EosId,Smiles,InChIKey,Batch,IsTriazolo,TanimotoExisting,Cluster100,Cluster1000,MolWeight,SLogP,NumRings,QED,SAScore,RAScore,ActivityClfAutoML,ActivityRegAutoML,ActivityClfGraph,ActivityRegGraph,ActivityAvg
EOS-0-00003,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,CCGWNWHCPJVKRM-UHFFFAOYSA-N,0,1,1.0,48,231,368.799,4.205,4,0.529,0.93,1.0,0.9999057638270167,0.9998115276540334,0.9173634432184223,0.9421132890137757,0.964798505928312
EOS-0-00005,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,LAQJZAPMBJGRKJ-UHFFFAOYSA-N,0,1,1.0,48,231,352.344,3.691,4,0.55,0.92,1.0,0.9997772599547666,0.9991690082927832,0.9164210814885888,0.9259218011102734,0.960322287711603
EOS-0-00006,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,JMWHMNDBYMOZOE-UHFFFAOYSA-N,0,1,1.0,23,86,386.789,4.344,4,0.512,0.86,1.0,0.9999571653759166,0.9998971969022,0.9658179699814955,0.9751216503323967,0.9851984956480022
EOS-0-00007,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,ULQTUOZHPUIIGF-UHFFFAOYSA-N,0,1,1.0,23,86,386.789,4.344,4,0.512,0.84,1.0,0.9999485984511,0.99992289767665,0.9658265369063121,0.9755756973476801,0.9853184325954356
EOS-0-00008,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,ZSNQYBBOWMWBMO-UHFFFAOYSA-N,0,1,1.0,23,86,370.334,3.83,4,0.536,0.81,1.0,0.9999143307518333,0.9997429922555,0.9653981906654787,0.9675998903433624,0.9831638510040437
EOS-0-00009,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1Cl,FHGPYVKWKPOKFQ-UHFFFAOYSA-N,0,1,1.0,48,101,368.799,4.205,4,0.529,0.88,1.0,0.9998971969022,0.9990405044205332,0.9087622507024878,0.9311647590980742,0.9597161777808237
EOS-0-00010,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1Cl,KUISVIYEKHQVDD-UHFFFAOYSA-N,0,1,1.0,23,86,403.244,4.859,4,0.478,0.84,1.0,0.99997429922555,1.0,0.9667174970872455,0.9816753478171476,0.9870917860324858
EOS-0-00011,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,CGIWGWDTOMBGCD-UHFFFAOYSA-N,0,1,1.0,23,86,403.244,4.859,4,0.478,0.84,1.0,0.9999828661503667,0.9999914330751833,0.9662891508464122,0.9813155369748475,0.9868947467617025
EOS-0-00013,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,JZPZJGDOOPIJOV-UHFFFAOYSA-N,0,1,1.0,48,231,385.254,4.72,4,0.499,0.88,1.0,0.9996230553080666,0.9999057638270167,0.9191710643547393,0.9555033925022274,0.9685508189980125
EOS-0-00014,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,QECRBDDHYMSQIO-UHFFFAOYSA-N,0,1,1.0,23,86,403.244,4.859,4,0.478,0.87,1.0,0.9999400315262833,0.99987149612775,0.9662977177712289,0.9810499623055308,0.9867898019326982
EOS-0-00016,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1Cl,DCTMBTOBFSINAK-UHFFFAOYSA-N,0,1,1.0,48,101,368.799,4.205,4,0.529,0.89,1.0,0.9997858268795833,0.9967788362689329,0.9087708176273045,0.9301538619697074,0.9588723356863821
EOS-0-00018,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,YGFSBPQUMQNXMA-UHFFFAOYSA-N,0,1,1.0,48,231,375.819,3.938,4,0.528,0.88,1.0,0.9992889452402166,0.9976783633746831,0.9058580631896375,0.9195994105955726,0.9556061956000274
EOS-0-00019,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,YWMZGVSEBAVCOG-UHFFFAOYSA-N,0,1,0.877,48,231,375.819,3.938,4,0.528,0.88,1.0,0.9990233705708998,0.9995545199095333,0.9058666301144541,0.9196079775203893,0.956013124528819
EOS-0-00020,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,WXBANBLOECZPBN-UHFFFAOYSA-N,0,1,0.877,48,231,359.364,3.424,4,0.546,0.89,1.0,0.9990319374957165,0.9983722842848332,0.9036906312110204,0.8992957987800699,0.9500976629429101
EOS-0-00021,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1,FWENXLMYSXFNRP-UHFFFAOYSA-N,0,1,1.0,48,231,413.25,4.314,4,0.489,0.9,1.0,0.9993489137139332,0.9986549928037831,0.8908402439860188,0.9028853402782537,0.9479323726954971
EOS-0-00024,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1,XVDXCNHZZLHKTQ-UHFFFAOYSA-N,0,1,1.0,48,231,413.25,4.314,4,0.489,0.9,1.0,0.99935748063875,0.9986035912548832,0.8897436776094853,0.9016859708039202,0.9473476800767597
EOS-0-00026,Brc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,DQDWGECUMJKNSA-UHFFFAOYSA-N,0,1,1.0,48,135,395.26,4.175,4,0.509,0.89,1.0,0.9990405044205332,0.9965475292988829,0.7309214584332808,0.759826262764718,0.8715839387293537
EOS-0-00027,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1,HASGBXSFWMWCCO-UHFFFAOYSA-N,0,1,1.0,48,231,429.705,4.829,4,0.456,0.89,1.0,0.9992461106161332,0.9997772599547666,0.8921424165581523,0.9228377081762731,0.9535008738263313
EOS-0-00028,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1,YBFVLHBEUVBBTQ-UHFFFAOYSA-N,0,1,1.0,23,17,356.307,3.788,4,0.558,0.86,1.0,0.9990747721197999,0.9944914673428826,0.9779401685970804,0.9803988760194641,0.9879763210198068
EOS-0-00029,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,SNUJTUDSQGGFHY-UHFFFAOYSA-N,0,1,1.0,48,906,368.799,4.205,4,0.529,0.87,1.0,0.9971729148104996,0.9987920636008498,0.887533411006785,0.9196165444452059,0.9507787334658351
EOS-0-00030,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,IMWFISQOVPAQSH-UHFFFAOYSA-N,0,1,0.889,48,231,368.799,4.205,4,0.529,0.91,1.0,0.9980296072921664,0.9998629292029333,0.9106983757110547,0.9396460146665753,0.9620592317181824
EOS-0-00032,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,QPDPGKSJGQGNHQ-UHFFFAOYSA-N,0,1,1.0,48,948,410.264,4.591,4,0.481,0.85,1.0,0.9997429922555,0.9983037488862998,0.959512713316428,0.9710523610444795,0.9821529538756768
EOS-0-00034,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1F,NHUPWVKGGKVBRQ-UHFFFAOYSA-N,0,1,1.0,23,86,431.24,4.454,4,0.469,0.79,1.0,0.9996316222328833,0.9992718113905832,0.9537557398396271,0.955511959427044,0.9770427832225344
EOS-0-00035,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1,NYKZHAJBCGKJLD-UHFFFAOYSA-N,0,1,0.887,23,86,386.789,4.344,4,0.512,0.87,1.0,0.9996573230073333,0.9996573230073333,0.9654067575902954,0.9751302172572134,0.9849629052155437
EOS-0-00036,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1Cl,OMKXWHJQBHECAO-UHFFFAOYSA-N,0,1,1.0,48,948,434.805,4.807,4,0.418,0.81,1.0,0.9998286615036667,0.9999485984511,0.9871924473990816,0.9855904324583648,0.9931400349530533
EOS-0-00037,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccc1Cl,HJOOQBVWTUZVFO-UHFFFAOYSA-N,0,1,1.0,48,948,434.805,4.807,4,0.418,0.8,1.0,0.9998457953533,0.9999314646014666,0.9872010143238983,0.9855989993831814,0.9931443184154616
EOS-0-00038,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,JXZNHHCXBGPRAO-UHFFFAOYSA-N,0,1,0.889,48,231,368.799,4.205,4,0.529,0.92,1.0,0.997626961825783,0.9993232129394832,0.9107069426358714,0.9405541086971421,0.9620528065245699
EOS-0-00040,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1,DERDAJCYUCDFBG-UHFFFAOYSA-N,0,1,1.0,48,231,429.705,4.829,4,0.456,0.88,1.0,0.9989120005482832,0.9988348982249332,0.892150983482969,0.9228462751010897,0.9531860393393188
EOS-0-00041,N#Cc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,ODTQULAPUQVJGF-UHFFFAOYSA-N,0,1,0.851,48,231,359.364,3.424,4,0.546,0.87,1.0,0.9988263313001166,0.997447056404633,0.8970426975532863,0.8953121787403193,0.9471570659995887
EOS-0-00042,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(F)c1F,BDXXBPDVVHSRJP-UHFFFAOYSA-N,0,1,0.875,23,86,404.779,4.484,4,0.46,0.79,1.0,0.9999657323007334,0.9999571653759166,0.9836628743746145,0.9880405729559317,0.9929065862517991
EOS-0-00043,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,XBVQGCSWLDITHV-UHFFFAOYSA-N,0,1,1.0,23,86,419.699,5.373,4,0.436,0.86,1.0,0.9995373860599,0.9998800630525666,0.9667260640120622,0.9858902748269481,0.9880084469878693
EOS-0-00044,N#Cc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,WQRKHDYVICNPTB-UHFFFAOYSA-N,0,1,0.851,48,231,375.819,3.938,4,0.528,0.88,1.0,0.9985093550818998,0.997781166472483,0.8981221300801864,0.9164210814885888,0.9527084332807896
EOS-0-00045,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)c1,CJQQFSIOGIKNCW-UHFFFAOYSA-N,0,1,1.0,48,906,352.344,3.691,4,0.55,0.86,1.0,0.9950911520800494,0.9936690425604825,0.8863511753820849,0.90063223905147,0.9439359022685216
EOS-0-00046,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F,DGIXSHBZRXAZEC-UHFFFAOYSA-N,0,1,0.887,23,86,386.789,4.344,4,0.512,0.84,1.0,0.9995459529847166,0.9990490713453499,0.9658351038311288,0.97513878418203,0.9848922280858063
EOS-0-00047,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,RSNDGTDMENGDGF-UHFFFAOYSA-N,0,1,0.841,23,370,386.789,4.344,4,0.512,0.85,1.0,0.9987235282023165,0.9998457953533,0.9580049345486944,0.9723459666917963,0.9822300561990267
EOS-0-00048,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1,FWERBYJYEDIPIS-UHFFFAOYSA-N,0,1,0.887,23,86,370.334,3.83,4,0.536,0.86,1.0,0.9990490713453499,0.9978668357206497,0.9649612774998286,0.967608457268179,0.9823714104585018
EOS-0-00049,Fc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,NNYUOUSETBIFNH-UHFFFAOYSA-N,0,1,0.889,48,231,352.344,3.691,4,0.55,0.9,1.0,0.9965989308477828,0.997549859502433,0.9097817147556713,0.9228548420259064,0.9566963367829484
EOS-0-00050,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,SEKITXYMAWKEMN-UHFFFAOYSA-N,0,1,0.761,23,370,386.789,4.344,4,0.512,0.83,1.0,0.9996401891576999,0.9998286615036667,0.9606435473922281,0.97436776094853,0.9836200397505311
EOS-0-00051,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,MHSQVZIRHRNKLG-UHFFFAOYSA-N,0,1,0.851,48,231,368.799,4.205,4,0.529,0.9,1.0,0.9981666780892331,0.9994945514358166,0.9107155095606881,0.9387464875608251,0.9617808066616407
EOS-0-00052,Clc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1Br,ADEAROKMAMMLOO-UHFFFAOYSA-N,0,1,1.0,48,101,429.705,4.829,4,0.456,0.85,1.0,0.9989205674730999,0.9973613871564663,0.8775443766705503,0.9074001096566376,0.9453066102391885
EOS-0-00053,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1,VBODQZGZKTZANP-UHFFFAOYSA-N,0,1,0.887,23,86,386.789,4.344,4,0.512,0.87,1.0,0.9992546775409499,0.9985007881570831,0.965415324515112,0.9747447056404633,0.9844788739634021
EOS-0-00054,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(Cl)c1,JOWVWYYGSWYVBP-UHFFFAOYSA-N,0,1,1.0,48,906,368.799,4.205,4,0.529,0.85,1.0,0.994405798094716,0.9953481598245494,0.8863597423069015,0.9207473785210061,0.9492152696867933
EOS-0-00055,Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,ZIQVCUMAQHBIHH-UHFFFAOYSA-N,0,1,0.887,48,231,348.381,3.86,4,0.549,0.93,1.0,0.9976355287505997,0.9964618600507162,0.837476869302995,0.8171989582619423,0.9121933040915633
EOS-0-00056,Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,IXSAHBRMNUFKNI-UHFFFAOYSA-N,0,1,0.887,48,231,364.836,4.375,4,0.527,0.91,1.0,0.9972757179082996,0.9988434651497499,0.8391731204166952,0.8520406414913303,0.9218332362415188
EOS-0-00057,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1Cl,ZGMIGNOEUZQGJK-UHFFFAOYSA-N,0,1,0.887,23,86,403.244,4.859,4,0.478,0.86,1.0,0.9996487560825166,0.9995630868343499,0.9663062846960455,0.9813241038996642,0.986710557878144
EOS-0-00058,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,ISOHISZJVLXSQY-UHFFFAOYSA-N,0,1,0.788,23,370,386.789,4.344,4,0.512,0.84,1.0,0.9992632444657665,0.9997858268795833,0.9531303543280104,0.9700928654650127,0.9805680727845932
EOS-0-00059,Fc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1,CCQHFHTZOOQWIK-UHFFFAOYSA-N,0,1,0.768,23,231,370.334,3.83,4,0.536,0.82,1.0,0.9991861421424165,0.9983808512096498,0.9615345075731615,0.9651411829209787,0.9810606709615517
EOS-0-00061,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,YBFMZIZXOFPREW-UHFFFAOYSA-N,0,1,0.824,48,231,375.819,3.938,4,0.528,0.87,1.0,0.9962305530806662,0.9985607566307998,0.8970512644781029,0.9164296484134056,0.9520680556507436
EOS-0-00062,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1F,YVTCZDVBCUOAPA-UHFFFAOYSA-N,0,1,0.889,23,86,404.779,4.484,4,0.492,0.82,1.0,0.9993917483380166,0.9995288191350833,0.9857532040298814,0.990173737235282,0.9937118771845659
EOS-0-00063,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1Br,XPBRTLXDNHDPDJ-UHFFFAOYSA-N,0,1,1.0,48,101,413.25,4.314,4,0.489,0.84,1.0,0.9987577959015832,0.9901309026111987,0.8763878418203002,0.8842951134260846,0.9373929134397916
EOS-0-00064,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1,VVQSZPNCNZVNSP-UHFFFAOYSA-N,0,1,0.887,23,86,403.244,4.859,4,0.478,0.85,1.0,0.9994517168117333,0.9994602837365499,0.9658436707559455,0.9807929545610308,0.9863871564663148
EOS-0-00065,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,ANTCMUIVISLSNZ-UHFFFAOYSA-N,0,1,0.815,23,370,386.789,4.344,4,0.512,0.81,1.0,0.9986635597285998,0.99961448838325,0.9611232951819615,0.9739051470084299,0.9833266225755601
EOS-0-00066,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,FXWVMCVLEHLNQO-UHFFFAOYSA-N,0,1,0.851,48,231,368.799,4.205,4,0.529,0.9,1.0,0.9977554656980331,0.9981752450140498,0.9107240764855048,0.9413765334795422,0.9620078301692825
EOS-0-00067,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,IDXKKSZCPMMHLK-UHFFFAOYSA-N,0,1,0.877,23,86,386.789,4.344,4,0.512,0.84,1.0,0.9978925364950997,0.9992803783154,0.962631073949695,0.9739137139332465,0.9834294256733602
EOS-0-00068,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,DDHISOLCJWVLGR-UHFFFAOYSA-N,0,1,1.0,48,948,451.26,5.321,4,0.381,0.85,1.0,0.9997172914810499,0.9997258584058666,0.987363785895415,0.9893170447536153,0.9940309951339866
EOS-0-00069,Clc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,WHZHJPZVLOKIIQ-UHFFFAOYSA-N,0,1,0.889,48,231,385.254,4.72,4,0.499,0.89,1.0,0.9957936399150161,0.9994688506613666,0.9125145637721883,0.9535158659447605,0.965323230073333
EOS-0-00070,Fc1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1,XBSLHMCXCNAWAL-UHFFFAOYSA-N,0,1,0.841,23,370,386.789,4.344,4,0.512,0.84,1.0,0.9983037488862998,0.9989976697964499,0.958013501473511,0.9718747858268796,0.981797426495785
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EOS-0-00129,FC(F)(F)c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,FZEFMWLXADCKDR-UHFFFAOYSA-N,0,1,0.873,48,240,418.806,5.085,4,0.453,0.88,1.0,0.9995887876088,0.9992118429168666,0.9959821122609828,0.9946285381399493,0.9973528202316497
EOS-0-00130,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)ccc1F,ZZTRWLMUCVHDNM-UHFFFAOYSA-N,0,1,0.821,48,231,377.354,3.563,4,0.532,0.79,1.0,0.9966074977725995,0.9974556233294497,0.9518710163799603,0.9490524981152766,0.9737466588993215
EOS-0-00131,Fc1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)cc1,QOPSXAPXGZVINX-UHFFFAOYSA-N,0,1,0.839,48,17,354.772,4.163,4,0.552,0.92,1.0,0.9946028373654993,0.9905506819272154,0.9400058255088753,0.9610033582345281,0.9715406757590295
EOS-0-00132,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)ccc1Cl,ZGWQBXJFRWMSTC-UHFFFAOYSA-N,0,1,0.889,23,86,421.234,4.998,4,0.455,0.79,1.0,0.9991604413679666,0.9994431498869166,0.9857960386539648,0.993009389349599,0.9943522548146118
EOS-0-00133,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1F,NOUXZFNADRFTAI-UHFFFAOYSA-N,0,1,0.889,23,86,421.234,4.998,4,0.455,0.81,1.0,0.9988348982249332,0.9993831814131999,0.9859588102254815,0.992855184702899,0.9942580186416283
EOS-0-00134,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Br)c4)n23)cc1,UJHSMDWYSVVSLB-UHFFFAOYSA-N,0,1,0.889,48,231,413.25,4.314,4,0.489,0.85,1.0,0.994945514358166,0.9963076554040162,0.8815708313343842,0.8980878623809198,0.9427279658693716
EOS-0-00135,COc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,RCFHPEZBLKFVBP-UHFFFAOYSA-N,0,1,0.859,48,396,364.38,3.561,4,0.523,0.91,1.0,0.9962733877047495,0.9910132958673155,0.8290298814337606,0.74951168528545,0.8914570625728189
EOS-0-00136,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,JTYMYEYEDDQQDO-UHFFFAOYSA-N,0,1,0.742,23,17,372.762,4.302,4,0.536,0.87,1.0,0.9961620176821329,0.9966588993214995,0.9755328627235967,0.9847166061270646,0.9882675964635734
EOS-0-00137,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)c1,QMCYPCYDGDTNJY-UHFFFAOYSA-N,0,1,0.889,48,231,413.25,4.314,4,0.489,0.84,1.0,0.9949540812829827,0.9965646631485162,0.8815793982592008,0.8980964293057364,0.9427986429991091
EOS-0-00138,Fc1ccc(CCCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,PLUSFYDYHHHSMZ-UHFFFAOYSA-N,0,1,0.785,48,231,366.371,4.081,4,0.483,0.9,1.0,0.997421355630183,0.9926838462065657,0.8610701802480981,0.8910801178808855,0.9355638749914331
EOS-0-00139,Cc1ccccc1CCOc1cncc2nnc(-c3ccc(F)cc3)n12,ANNNZFMUOZOMLX-UHFFFAOYSA-N,0,1,0.818,48,231,348.381,3.86,4,0.549,0.89,1.0,0.9940888218764992,0.992829483928449,0.8082465218285244,0.7933400726475225,0.8971262250702488
EOS-0-00140,N#Cc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cc1,SQWBDCOTSJONPD-UHFFFAOYSA-N,0,1,0.869,48,576,341.374,3.284,4,0.557,0.9,1.0,0.992521074635049,0.9765523267767802,0.7647265437598519,0.7495202522102666,0.870830049345487
EOS-0-00141,Clc1ccc(-c2nnc3cncc(OCCc4cccc(Br)c4)n23)cc1,DRXPFBYKSHHYRY-UHFFFAOYSA-N,0,1,0.889,48,231,429.705,4.829,4,0.456,0.85,1.0,0.9946114042903159,0.9990576382701666,0.8828473031320677,0.9186741827153725,0.9487976321019806
EOS-0-00142,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,ZGVVDUXLLAZMNO-UHFFFAOYSA-N,0,1,0.892,23,370,386.789,4.344,4,0.512,0.92,1.0,0.990584949626482,0.9979011034199163,0.952470701117127,0.9696730861489959,0.9776574600781303
EOS-0-00143,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,WELMJOFBUXLQTJ-UHFFFAOYSA-N,0,1,0.871,48,135,384.361,4.432,4,0.511,0.87,1.0,0.9981752450140498,0.9879634706325817,0.989685422520732,0.9755842642724968,0.9878521006099651
EOS-0-00144,Fc1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1,DQBKIGQTGOWEHP-UHFFFAOYSA-N,0,1,0.746,23,17,356.307,3.788,4,0.558,0.86,1.0,0.9973613871564663,0.9905592488520321,0.9759183743403468,0.9787625933794805,0.9856504009320813
EOS-0-00145,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(F)c1,MOABCLVEMABCJB-UHFFFAOYSA-N,0,1,0.891,23,370,386.789,4.344,4,0.512,0.87,1.0,0.9944143650195326,0.9964704269755329,0.9568741004728942,0.9714635734356796,0.9798056164759097
EOS-0-00146,FC(F)(F)c1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,INAXVQMDCOVWAW-UHFFFAOYSA-N,0,1,0.838,48,64,418.806,5.085,4,0.453,0.86,1.0,0.9991176067438832,0.9983208827359331,0.9953738605989993,0.9943800973202659,0.9967981118497704
EOS-0-00148,Fc1ccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,AXZADWFHHRKCAL-UHFFFAOYSA-N,0,1,0.864,48,17,338.317,3.649,4,0.57,0.94,1.0,0.9953481598245494,0.9827633472688644,0.9433983277362757,0.9509457884997601,0.9681139058323623
EOS-0-00149,FC(F)c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,QUYCSPVORLKJEN-UHFFFAOYSA-N,0,1,0.857,48,135,366.371,4.35,4,0.509,0.84,1.0,0.9975669933520663,0.9893941470769653,0.9440408470975259,0.9259389349599068,0.9642352306216161
EOS-0-00150,Fc1ccccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ZTLYCBXAMBBKFJ-UHFFFAOYSA-N,0,1,0.754,48,17,354.772,4.163,4,0.552,0.92,1.0,0.9955451990953328,0.9957422383661161,0.9406483448701254,0.9610119251593447,0.9732369268727298
EOS-0-00151,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1Br,IXNDJHWZZSJRDT-UHFFFAOYSA-N,0,1,0.887,23,86,447.695,4.968,4,0.433,0.85,1.0,0.9987749297512165,0.9976869302994997,0.9524792680419437,0.9656209307107121,0.978640514700843
EOS-0-00152,N#Cc1ccccc1CCOc1cncc2nnc(-c3ccc(F)cc3)n12,MVPNYVGLKNSLQA-UHFFFAOYSA-N,0,1,0.794,48,231,359.364,3.424,4,0.546,0.86,1.0,0.992675279281749,0.9960506476595161,0.877552943595367,0.8786495099719005,0.9362320951271331
EOS-0-00153,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1F,SEBZJWQVKAPSJA-UHFFFAOYSA-N,0,1,0.836,23,86,404.779,4.484,4,0.492,0.82,1.0,0.9962819546295661,0.9988091974504831,0.9816068124186142,0.9882975807004317,0.9912488862997739
EOS-0-00154,COc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,ZDIRIXBCGDRONA-UHFFFAOYSA-N,0,1,0.859,48,396,380.835,4.075,4,0.504,0.9,1.0,0.995356726749366,0.9938232472071825,0.8325080529093277,0.7933486395723391,0.9037591666095538
EOS-0-00155,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,BSIZIGDWRKOSHB-UHFFFAOYSA-N,0,1,0.887,48,231,364.836,4.375,4,0.527,0.9,1.0,0.9905935165512988,0.9926924131313823,0.8374854362278117,0.8485025015420464,0.9173184668631348
EOS-0-00156,Fc1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)cc1,JTOXNPFVJYKJRV-UHFFFAOYSA-N,0,1,0.788,23,370,403.244,4.859,4,0.478,0.81,1.0,0.9988862997738331,0.9988948666986499,0.9531474881776437,0.9776488931533137,0.9821443869508601
EOS-0-00157,FC(F)Oc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cc1,VYBWRCYPACRKIP-UHFFFAOYSA-N,0,1,0.879,48,40,382.37,4.014,4,0.483,0.86,1.0,0.9947827427866494,0.9886745253923651,0.9239257076279899,0.8910886848057021,0.9496179151531766
EOS-0-00158,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1F,LGMZBIVIFPOMPK-UHFFFAOYSA-N,0,1,0.887,23,86,431.24,4.454,4,0.469,0.81,1.0,0.9979782057432663,0.9958964430128161,0.9531560551024604,0.9555290932766775,0.975639949283805
EOS-0-00159,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1Br,AOMQCXAPWIDCKX-UHFFFAOYSA-N,0,1,0.887,23,86,447.695,4.968,4,0.433,0.84,1.0,0.9987834966760332,0.9976954972243164,0.9524878349667604,0.9656294976355287,0.9786490816256597
EOS-0-00160,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,ZAUZFHZMARSFHV-UHFFFAOYSA-N,0,1,0.792,48,40,416.815,4.668,4,0.438,0.82,1.0,0.9992718113905832,0.9969416078404496,0.9682338427797957,0.9665889932149956,0.9827590638064561
EOS-0-00161,Fc1ccc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)cc4)n23)cc1,ZOJCILQFRQKYHG-UHFFFAOYSA-N,0,1,0.873,48,240,402.351,4.571,4,0.459,0.88,1.0,0.9987320951271331,0.9970529778630662,0.9958878760879994,0.9923240353642656,0.9959992461106161
EOS-0-00162,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1Cl,TUUGENIKXJRQCV-UHFFFAOYSA-N,0,1,0.887,23,86,447.695,4.968,4,0.433,0.84,1.0,0.9986121581796998,0.9979096703447331,0.9537728736892606,0.9656380645603454,0.9789831916935098
EOS-0-00163,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1F,ZVBAYCIKQMOAJB-UHFFFAOYSA-N,0,1,0.889,23,86,421.234,4.998,4,0.455,0.81,1.0,0.9988948666986499,0.9984236858337331,0.9859673771502981,0.9930179562744157,0.9940759714892742
EOS-0-00164,Clc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cc1,ILUZNCCBUQNOBC-UHFFFAOYSA-N,0,1,0.902,48,135,350.809,4.066,4,0.544,0.93,1.0,0.9853334247138648,0.9882633130011651,0.7854242341169214,0.8410835446508121,0.9000261291206909
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EOS-0-00167,COc1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)c1,WWRGFFZLWNOVPO-UHFFFAOYSA-N,0,1,0.812,48,396,364.38,3.561,4,0.523,0.87,1.0,0.9937118771845658,0.9938318141319992,0.8162737303817422,0.7442087588239326,0.8870065451305599
EOS-0-00168,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)ccc1Cl,BHMMNXDRWLDPNP-UHFFFAOYSA-N,0,1,0.833,48,231,393.809,4.077,4,0.51,0.84,1.0,0.9938917826057159,0.9977983003221164,0.9537814406140772,0.9605236104447947,0.9764987834966761
EOS-0-00169,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)cc1,AGNBYDJBKKFOQR-UHFFFAOYSA-N,0,1,0.815,23,370,403.244,4.859,4,0.478,0.79,1.0,0.9982609142622164,0.9984322527585497,0.9611404290315948,0.9800304982523473,0.9844660235761771
EOS-0-00170,Fc1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1,PJWRRAIRUZUEKQ-UHFFFAOYSA-N,0,1,0.839,48,17,338.317,3.649,4,0.57,0.92,1.0,0.9933949009663491,0.9817010485915976,0.9386265506133918,0.9483071756562265,0.9655074189568913
EOS-0-00171,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1F,FHIWZNKMBUZMAK-UHFFFAOYSA-N,0,1,0.821,23,86,386.789,4.344,4,0.512,0.82,1.0,0.9940973888013159,0.9967959701185662,0.9621598930847783,0.97475327256528,0.9819516311424851
EOS-0-00172,Fc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1F,OSTXXYMPQSEBCS-UHFFFAOYSA-N,0,1,0.846,48,444,408.286,4.76,4,0.456,0.78,1.0,0.9989377013227332,0.9936776094852992,0.9985950243300665,0.9979867726680831,0.9972992769515456
EOS-0-00173,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,CIHMOZGVGDRJJY-UHFFFAOYSA-N,0,1,0.877,48,948,382.826,4.514,4,0.509,0.82,1.0,0.9917157837022822,0.9952196559522993,0.929931121924474,0.9290487286683572,0.9614788225618531
EOS-0-00174,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1Cl,XMBIOYGYGKJCTH-UHFFFAOYSA-N,0,1,0.877,23,86,403.244,4.859,4,0.478,0.84,1.0,0.9969758755397162,0.9969501747652663,0.9631879240627784,0.9804160098690974,0.9843824960592146
EOS-0-00175,COc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,YWFWKNMHYWWDQC-UHFFFAOYSA-N,0,1,0.812,48,396,380.835,4.075,4,0.504,0.88,1.0,0.9925296415598657,0.9961877184565828,0.8178671783976423,0.7887225001713385,0.8988267596463574
EOS-0-00176,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,GHMYZXFRFPPRLY-UHFFFAOYSA-N,0,1,0.848,48,444,404.323,4.408,4,0.461,0.86,1.0,0.9977640326228497,0.9894027140017819,0.995536632170516,0.9913388390103488,0.993510554451374
EOS-0-00177,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,QJWTYGOKLVUZDT-UHFFFAOYSA-N,0,1,0.763,48,40,418.35,4.292,4,0.419,0.83,1.0,0.997704064149133,0.9987406620519498,0.985170653142348,0.980424576793914,0.9905099890343362
EOS-0-00178,Cc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,JSHDFWDMWWTDRZ-UHFFFAOYSA-N,0,1,0.815,48,231,348.381,3.86,4,0.549,0.88,1.0,0.9913474059351655,0.9910218627921321,0.8234613803029265,0.8063874991433075,0.9030545370433829
EOS-0-00179,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,MOAQKIZLZGJOOH-UHFFFAOYSA-N,0,1,0.877,48,948,366.371,3.999,4,0.536,0.81,1.0,0.9898567610170653,0.9932235624700158,0.9291600986909739,0.9098588170790213,0.955524809814269
EOS-0-00180,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1,AIAQWXYDRGBOJM-UHFFFAOYSA-N,0,1,0.891,23,370,370.334,3.83,4,0.536,0.82,1.0,0.9926838462065657,0.9936861764101158,0.9557689671715441,0.962245562332945,0.9760961380302926
EOS-0-00181,Fc1ccc(-c2nnc3cncc(OCCc4cccc(C(F)(F)F)c4)n23)cc1,MBMDIIYTHAGZGA-UHFFFAOYSA-N,0,1,0.838,48,64,402.351,4.571,4,0.459,0.85,1.0,0.9980895757658831,0.995228222877116,0.995382427523816,0.9919727914467823,0.9951682544033994
EOS-0-00182,CC(COc1cncc2nnc(-c3ccc(F)cc3)n12)c1ccccc1,UMCGMMGJFHMWJY-UHFFFAOYSA-N,0,1,0.754,48,135,348.381,4.113,4,0.544,0.87,1.0,0.9966160646974163,0.9918185868000823,0.9133626893290384,0.8993043657048866,0.9502754266328559
EOS-0-00183,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,WGVKMMPGHKPZKW-UHFFFAOYSA-N,0,1,0.841,48,135,384.361,4.49,4,0.492,0.86,1.0,0.9955537660201494,0.9940888218764992,0.9766551298745803,0.9701014323898294,0.9840997875402646
EOS-0-00184,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,UWDUWLFHXORVBQ-UHFFFAOYSA-N,0,1,0.819,48,40,418.35,4.292,4,0.419,0.77,1.0,0.9979867726680831,0.9985778904804331,0.9843225275854979,0.9790453018984305,0.9899831231581112
EOS-0-00185,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,RTPOPBXZJKNEHI-UHFFFAOYSA-N,0,1,0.891,23,370,403.244,4.859,4,0.478,0.87,1.0,0.994791309711466,0.9979696388184497,0.957473785210061,0.9780087039956137,0.9820608594338975
EOS-0-00186,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1,KVXMFPZEWKYOMC-UHFFFAOYSA-N,0,1,0.969,48,305,383.358,3.409,4,0.487,0.8,1.0,0.9925382084846823,0.9833373312315811,0.8251062298677266,0.764906449181002,0.891472054691248
EOS-0-00187,Clc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cc1Cl,NJHHLLBURIJAEK-UHFFFAOYSA-N,0,1,1.0,48,948,385.254,4.72,4,0.499,0.89,1.0,0.9929922554999657,0.9780172709204304,0.9087879514769378,0.9421218559385923,0.9554798334589816
EOS-0-00188,N#Cc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1Cl,SVEWENJKNSEVCW-UHFFFAOYSA-N,0,1,0.809,48,135,375.819,3.938,4,0.528,0.88,1.0,0.9907134534987321,0.9957508052909327,0.8852289082311013,0.9006408059762867,0.9430834932492632
EOS-0-00189,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)cc1,UPYMQHPNSRZGDC-UHFFFAOYSA-N,0,1,0.742,23,17,356.307,3.788,4,0.558,0.88,1.0,0.9946199712151326,0.9888801315879652,0.9752330203550134,0.9794393804399972,0.9845431258995272
EOS-0-00190,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1Cl,YETHZVVBBPPOAT-UHFFFAOYSA-N,0,1,0.889,23,86,421.234,4.998,4,0.455,0.8,1.0,0.9986207251045165,0.9979182372695498,0.9858046055787815,0.9930265231992325,0.99384252278802
EOS-0-00191,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(Cl)c1,BJUMLRLALFQUCQ-UHFFFAOYSA-N,0,1,0.763,48,40,434.805,4.807,4,0.418,0.82,1.0,0.9989462682475498,0.9982009457884997,0.9855390309094647,0.9847251730518813,0.9918528544993489
EOS-0-00192,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c(F)c1,BOKHJWXWHXXYGE-UHFFFAOYSA-N,0,1,0.836,23,86,404.779,4.484,4,0.492,0.82,1.0,0.9958022068398328,0.9971386471112329,0.9816153793434309,0.9883061476252485,0.9907155952299364
EOS-0-00193,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,BEFHKTULUKSYJK-UHFFFAOYSA-N,0,1,0.819,48,40,434.805,4.807,4,0.418,0.77,1.0,0.9985264889315332,0.9989034336234666,0.9844852991570145,0.9833458981563977,0.991315279967103
EOS-0-00194,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c(F)c1,SZICDWIAOUXTEW-UHFFFAOYSA-N,0,1,0.892,23,370,386.789,4.344,4,0.512,0.89,1.0,0.9900623672126654,0.9959050099376328,0.952496401891577,0.970109999314646,0.9771434445891303
EOS-0-00195,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1F,IRWLUFBINUYANW-UHFFFAOYSA-N,0,1,0.821,23,86,370.334,3.83,4,0.536,0.81,1.0,0.9926924131313823,0.9942687272976493,0.9615602083476116,0.965646631485162,0.9785419950654513
EOS-0-00196,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(F)c1,ZGTMGCNHELSVES-UHFFFAOYSA-N,0,1,0.836,23,86,404.779,4.484,4,0.492,0.81,1.0,0.9960335138098828,0.9970615447878829,0.9816239462682476,0.9883147145500651,0.9907584298540196
EOS-0-00197,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,FOAVGMNSMRJDNA-UHFFFAOYSA-N,0,1,0.763,48,40,434.805,4.807,4,0.418,0.8,1.0,0.9989976697964499,0.9983294496607498,0.9855475978342814,0.9845109999314646,0.9918464293057364
EOS-0-00198,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1Cl,HCGOHDWUMLUONH-UHFFFAOYSA-N,0,1,0.821,23,86,386.789,4.344,4,0.512,0.84,1.0,0.9933092317181824,0.9954766636967994,0.962168460009595,0.9731169899252964,0.9810178363374683
EOS-0-00199,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(F)c1,NNBRVLROAWLORB-UHFFFAOYSA-N,0,1,0.763,48,40,418.35,4.292,4,0.419,0.8,1.0,0.9983979850592831,0.997704064149133,0.985556164759098,0.980039065177164,0.9904243197861695
EOS-0-00200,Fc1ccc(C(F)(F)COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,ZUZDZFFHAYCDNX-UHFFFAOYSA-N,0,1,0.727,48,231,404.779,4.755,4,0.481,0.86,1.0,0.9970958124871496,0.9974641902542664,0.9971386471112329,0.9982095127133165,0.9974770406414912
EOS-0-00201,Fc1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)cc1,MKDPGYXGXVZRLL-UHFFFAOYSA-N,0,1,0.82,23,17,356.307,3.788,4,0.558,0.86,1.0,0.9935576725378658,0.9868669042560483,0.9723888013158797,0.977177712288397,0.9824977725995477
EOS-0-00202,Fc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1Cl,VIHCJPSTLMQLGH-UHFFFAOYSA-N,0,1,0.821,23,86,403.244,4.859,4,0.478,0.85,1.0,0.9944229319443493,0.9980467411417997,0.962656774724145,0.9808100884106641,0.9839841340552394
EOS-0-00203,Nc1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)c1,YVUREUZWLLSFJT-UHFFFAOYSA-N,0,1,1.0,48,231,349.369,3.134,4,0.56,0.88,1.0,0.9966246316222329,0.8653022411075321,0.7256699335206634,0.7177026934411623,0.8263248749228976
EOS-0-00204,Fc1cc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)ccc1Cl,WBXMUBRTTICJAL-UHFFFAOYSA-N,0,1,0.846,48,444,424.741,5.275,4,0.417,0.84,1.0,0.9992118429168666,0.994919813583716,0.9986035912548832,0.9986549928037831,0.9978475601398122
EOS-0-00205,Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,SMYLHECDVLVLLQ-UHFFFAOYSA-N,0,1,0.864,48,231,382.826,4.514,4,0.509,0.89,1.0,0.9885717222945651,0.9964789939003496,0.912523130697005,0.9186827496401891,0.9540641491330272
EOS-0-00206,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1,HGPJWWWRIWZNOS-UHFFFAOYSA-N,0,1,0.851,48,101,377.354,3.563,4,0.532,0.82,1.0,0.9918956891234323,0.9929922554999657,0.9469964361592763,0.9469021999862929,0.9696966451922419
EOS-0-00207,Fc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1Cl,CGNQWGPOYKYJAM-UHFFFAOYSA-N,0,1,0.846,48,444,424.741,5.275,4,0.417,0.82,1.0,0.9992803783154,0.9949283805085326,0.9986121581796998,0.9986635597285998,0.997871119183058
EOS-0-00208,COc1cccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,XRFXVEVKWOIQJE-UHFFFAOYSA-N,0,1,0.861,48,40,430.386,4.32,4,0.435,0.78,1.0,0.9966331985470496,0.9938403810568158,0.9812812692755808,0.9344630251524912,0.9765544685079844
EOS-0-00209,Fc1ccc(-c2nnc3cncc(OCCCc4ccccc4)n23)cc1Cl,HWGDDOVONLOGPI-UHFFFAOYSA-N,0,1,0.794,48,101,382.826,4.595,4,0.457,0.89,1.0,0.9963676238777328,0.9916472483037488,0.8505071619491468,0.8967599890343362,0.9338205057912411
EOS-0-00210,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1,BYTGBVNFGMOWMT-UHFFFAOYSA-N,0,1,0.887,23,86,419.699,5.373,4,0.436,0.84,1.0,0.997575560276883,0.9983380165855664,0.9663148516208622,0.9856075663079981,0.9869589986978274
EOS-0-00211,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4Cl)n23)cc1,ACFKVPKMJGYJDR-UHFFFAOYSA-N,0,1,0.891,23,370,386.789,4.344,4,0.512,0.84,1.0,0.9914930436570488,0.9940973888013159,0.9563172503598109,0.9714721403604962,0.978344955794668
EOS-0-00212,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)cc1,JXJZNQITEVLCSI-UHFFFAOYSA-N,0,1,0.765,23,86,388.324,3.969,4,0.384,0.79,1.0,0.9992204098416833,0.9980553080666164,0.9825320402988144,0.9830374888629977,0.9907113117675279
EOS-0-00213,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,GLEOFGKXCGBBPB-UHFFFAOYSA-N,0,1,0.841,48,240,418.806,5.085,4,0.453,0.85,1.0,0.9980981426906997,0.9954852306216161,0.9953909944486328,0.9943886642450825,0.9958407580015078
EOS-0-00214,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,PDTPMVJQSSKDCG-UHFFFAOYSA-N,0,1,0.841,48,240,402.351,4.571,4,0.459,0.84,1.0,0.9972842848331163,0.9935062709889658,0.9952624905763827,0.9916215475292989,0.9944186484819408
EOS-0-00215,Cc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,GPUPPSYAHYYWGB-UHFFFAOYSA-N,0,1,0.815,48,231,364.836,4.375,4,0.527,0.9,1.0,0.9895140840243986,0.9912446028373655,0.8270766225755602,0.845032896991296,0.9132170516071552
EOS-0-00216,Fc1ccc(-c2nnc3cncc(OCC(F)c4ccccc4)n23)cc1,RIIVBJPKXMIUIN-UHFFFAOYSA-N,0,1,0.725,48,135,352.344,4.02,4,0.544,0.75,1.0,0.9934034678911657,0.994791309711466,0.9631964909875951,0.9635306010554452,0.9787304674114179
EOS-0-00217,Fc1cccc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1,JECLQDPJYXSASH-UHFFFAOYSA-N,0,1,0.773,23,17,356.307,3.788,4,0.558,0.82,1.0,0.992546775409499,0.9884432184223151,0.9755414296484134,0.9790538688232472,0.9838963230758686
EOS-0-00218,Fc1cc(-c2nnc3cncc(OCc4ccccc4)n23)ccc1Cl,OTXUMURJPXXQKC-UHFFFAOYSA-N,0,1,0.727,48,135,354.772,4.163,4,0.552,0.9,1.0,0.9915016105818656,0.992700980056199,0.937898362003975,0.9535244328695771,0.9689063463779042
EOS-0-00219,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)c(Cl)c3)n12,QDWPWHCOWUYTOB-UHFFFAOYSA-N,0,1,0.821,23,86,403.244,4.859,4,0.478,0.84,1.0,0.9937204441093825,0.9977126310739497,0.9626653416489617,0.9794479473648139,0.983386591049277
EOS-0-00220,COc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,KBKMEXMWLRJUKB-UHFFFAOYSA-N,0,1,0.809,48,231,398.825,4.214,4,0.486,0.78,1.0,0.9946285381399493,0.9965732300733329,0.9133712562538551,0.8924765266260023,0.9492623877732849
EOS-0-00221,Clc1ccc(-c2nnc3cncc(OCc4ccccc4)n23)cc1,GIZTYQHQSNRPSU-UHFFFAOYSA-N,0,1,0.806,48,135,336.782,4.024,4,0.564,0.93,1.0,0.9883918168734152,0.9913988074840655,0.8487680762113632,0.892485093550819,0.9302609485299157
EOS-0-00222,FC(F)(COc1cncc2nnc(-c3ccc(Cl)cc3)n12)c1ccccc1,HHCDBJSRVQBMHL-UHFFFAOYSA-N,0,1,0.735,48,135,386.789,4.616,4,0.502,0.87,1.0,0.9939003495305325,0.9963162223288329,0.992855184702899,0.9928637516277157,0.9939838770474949
EOS-0-00223,Fc1cccc(COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1,SHGYCGHHJAIQEW-UHFFFAOYSA-N,0,1,0.773,23,17,372.762,4.302,4,0.536,0.85,1.0,0.9923754369131657,0.9908076896717154,0.9759269412651634,0.9840483859913646,0.9857896134603523
EOS-0-00224,FC(F)(F)Oc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,HKKRESVBPKAIIZ-UHFFFAOYSA-N,0,1,0.778,48,40,434.805,4.965,4,0.429,0.88,1.0,0.9985350558563498,0.9991090398190665,0.9920927283942156,0.9877321636625317,0.9943672469330409
EOS-0-00225,Cc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1,KQSZUOYWCYYPNW-UHFFFAOYSA-N,0,1,0.851,48,101,382.826,4.514,4,0.509,0.83,1.0,0.9934120348159825,0.9914073744088822,0.9221266534164896,0.92482523473374,0.9579428243437735
EOS-0-00226,Clc1ccc(-c2nnc3cncc(OCCc4ccccc4Br)n23)cc1,JBEGHPWZVZSEHT-UHFFFAOYSA-N,0,1,0.851,48,231,429.705,4.829,4,0.456,0.83,1.0,0.9941059557261326,0.9982095127133165,0.8751113700226166,0.9141851141114385,0.9454029881433761
EOS-0-00227,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1,HXHFPPNWUNTTTO-UHFFFAOYSA-N,0,1,0.891,23,370,403.244,4.859,4,0.478,0.86,1.0,0.9921869645671989,0.997472757179083,0.9568826673977109,0.9780172709204304,0.9811399150161058
EOS-0-00228,Fc1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,RBJBTJMBAKVYHE-UHFFFAOYSA-N,0,1,0.892,23,370,370.334,3.83,4,0.536,0.84,1.0,0.988134809128915,0.9928380508532657,0.951879583304777,0.9605321773696114,0.9733461551641422
EOS-0-00229,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,YXVKOULTBPFPEP-UHFFFAOYSA-N,0,1,0.851,48,40,400.36,4.311,4,0.483,0.82,1.0,0.9952196559522993,0.9862329518196148,0.9820180248098143,0.9580306353231444,0.9803753169762182
EOS-0-00230,FC(F)(F)Oc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,WRGCWUUJUNCAKY-UHFFFAOYSA-N,0,1,0.821,48,40,434.805,4.965,4,0.429,0.85,1.0,0.9986292920293331,0.9987492289767665,0.9928637516277157,0.9886059899938319,0.9947120656569118
EOS-0-00231,Fc1ccc(-c2nnc3cncc(OCc4ccccc4F)n23)cc1,JMTKSDNOYYSBFY-UHFFFAOYSA-N,0,1,0.754,48,17,338.317,3.649,4,0.57,0.93,1.0,0.9931207593722158,0.9836200397505311,0.9393547392228085,0.9483157425810431,0.9661028202316497
EOS-0-00232,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3cccc(Cl)c3)n12,UDACSLSOFQDQJB-UHFFFAOYSA-N,0,1,0.892,23,370,403.244,4.859,4,0.478,0.89,1.0,0.9902679734082653,0.9975669933520663,0.9531646220272771,0.9768093345212803,0.9794522308272222
EOS-0-00233,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1Cl,MHBUVZJGRLYTMI-UHFFFAOYSA-N,0,1,0.836,23,86,421.234,4.998,4,0.455,0.85,1.0,0.9958107737646494,0.9983465835103831,0.9816325131930642,0.9916301144541155,0.9918549962305532
EOS-0-00234,Fc1ccc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)cc1,ISPQKAKLXAQBDK-UHFFFAOYSA-N,0,1,0.738,23,17,356.307,3.788,4,0.558,0.82,1.0,0.995099719004866,0.9879720375573984,0.9705640463299294,0.9759697758892468,0.9824013946953601
EOS-0-00235,FC(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,AVFROHRSJRNQBF-UHFFFAOYSA-N,0,1,0.859,48,231,400.816,5.004,4,0.457,0.84,1.0,0.9939089164553492,0.9971472140360497,0.9787197587553972,0.9787711603042971,0.9871367623877733
EOS-0-00236,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(C(F)(F)F)c4)n23)cc1,GBWCQNUZZVCGPO-UHFFFAOYSA-N,0,1,0.809,48,64,420.341,4.71,4,0.439,0.82,1.0,0.9987920636008498,0.9973699540812829,0.9975669933520663,0.9961534507573162,0.9974706154478787
EOS-0-00237,Fc1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cc4F)n23)cc1,ZCGWHMRQXJAZAD-UHFFFAOYSA-N,0,1,0.783,23,86,388.324,3.969,4,0.384,0.76,1.0,0.9986721266534165,0.9974813241038997,0.982540607223631,0.9845195668562813,0.9908034062093071
EOS-0-00238,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c(F)c1,QTDYXENMHYAHQW-UHFFFAOYSA-N,0,1,0.836,23,86,388.324,3.969,4,0.486,0.78,1.0,0.9939174833801658,0.9950911520800494,0.9812898362003976,0.9840569529161812,0.9885888561441986
EOS-0-00239,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1,MWPYXKAFDWMDTC-UHFFFAOYSA-N,0,1,0.871,48,40,461.266,4.777,4,0.397,0.86,1.0,0.9984579535329998,0.995099719004866,0.9611489959564115,0.945377287368926,0.9750209889658009
EOS-0-00240,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1Cl,HSUWQETXHWATBV-UHFFFAOYSA-N,0,1,0.889,23,86,437.689,5.512,4,0.413,0.84,1.0,0.9983208827359331,0.9989548351723665,0.9859759440751148,0.995048317455966,0.9945749948598451
EOS-0-00241,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,XBBKUUIDEHQLJK-UHFFFAOYSA-N,0,1,0.791,48,400,369.787,3.6,4,0.503,0.86,1.0,0.9933177986429991,0.9947998766362827,0.8234699472277431,0.8587656774724145,0.9175883249948599
EOS-0-00242,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1F,AUBQBXVZAZCVIN-UHFFFAOYSA-N,0,1,0.859,48,40,436.34,4.59,4,0.414,0.79,1.0,0.9935662394626825,0.9979268041943664,0.9967188677952162,0.9939603180042492,0.9955430573641285
EOS-0-00243,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1C(F)(F)F,KIVILLMGXHADSR-UHFFFAOYSA-N,0,1,0.809,48,64,436.796,5.224,4,0.402,0.82,1.0,0.9995288191350833,0.9993917483380166,0.997575560276883,0.997395654855733,0.998472945651429
EOS-0-00244,Fc1ccc(-c2nnc3cncc(OCC(F)(F)c4ccccc4)n23)cc1,HXSBINBZRNMHJN-UHFFFAOYSA-N,0,1,0.735,48,135,370.334,4.101,4,0.531,0.83,1.0,0.9931293262970324,0.9927095469810157,0.9927438146802824,0.9895740524981153,0.9920391851141115
EOS-0-00245,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,KTYQDVBFGMMPLN-UHFFFAOYSA-N,0,1,0.768,48,576,409.371,4.303,4,0.491,0.86,1.0,0.9979182372695498,0.9912531697621821,0.9939431841546159,0.9858988417517648,0.9922533582345282
EOS-0-00246,Fc1ccc(-c2nnc3cncc(OCc4ccccc4)n23)cc1,LFAMLQBEFCWNHW-UHFFFAOYSA-N,0,1,0.806,48,135,320.327,3.509,4,0.577,0.93,1.0,0.9908419573709821,0.9797563566582139,0.8454269755328627,0.8636573915427318,0.9199206702761976
EOS-0-00247,Oc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,PAMLZAIXXSDLBV-UHFFFAOYSA-N,0,1,0.859,48,231,350.353,3.258,4,0.598,0.81,1.0,0.989865327941882,0.9853162908642313,0.8082550887533411,0.7862380919745048,0.8924186998834899
EOS-0-00248,Fc1cc(CCOc2cncc3nnc(-c4ccccc4)n23)cc(F)c1F,JVLJEPJJBBDZBV-UHFFFAOYSA-N,0,1,0.859,23,948,370.334,3.83,4,0.501,0.81,1.0,0.9944314988691659,0.985324857789048,0.9557775340963608,0.9509543554245768,0.9716220615447878
EOS-0-00249,COc1ccc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)cc1,MTXCWNMVJFPVET-UHFFFAOYSA-N,0,1,0.859,48,17,350.353,3.518,4,0.551,0.92,1.0,0.9911503666643822,0.9556318963744774,0.8763964087451168,0.8084778287985744,0.9079141251456377
EOS-0-00250,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4F)n23)cc1,YHISEBXONUCUOY-UHFFFAOYSA-N,0,1,0.815,23,370,431.24,4.454,4,0.469,0.78,1.0,0.9959135768624494,0.995356726749366,0.947005003084093,0.9535329997943938,0.9729520766225754
EOS-0-00251,Fc1ccc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)cc4)n23)cc1F,DKZHBRNAIWLLIA-UHFFFAOYSA-N,0,1,0.848,48,240,420.341,4.71,4,0.439,0.82,1.0,0.9983294496607498,0.9954937975464327,0.9984408196833665,0.9974042217805497,0.9974170721677746
EOS-0-00252,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1Cl,NBJHXFFEXUWELK-UHFFFAOYSA-N,0,1,0.889,23,86,437.689,5.512,4,0.413,0.85,1.0,0.998038174216983,0.9987577959015832,0.9859845109999315,0.9948427112603659,0.994405798094716
EOS-0-00253,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,YCPJQGHTAPEOSB-UHFFFAOYSA-N,0,1,0.873,48,240,402.351,4.571,4,0.459,0.87,1.0,0.9939260503049825,0.9945000342676993,0.9958964430128161,0.9923326022890823,0.994163782468645
EOS-0-00254,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,FJVKFXJPCYQHDL-UHFFFAOYSA-N,0,1,0.873,48,240,418.806,5.085,4,0.453,0.87,1.0,0.9959221437872661,0.9959135768624494,0.9959906791857994,0.994637105064766,0.9956158762250702
EOS-0-00255,Fc1ccc(-c2nnc3cncc(OCCc4cccc(OC(F)(F)F)c4)n23)cc1,ZNPXAGNEWRKYHW-UHFFFAOYSA-N,0,1,0.778,48,40,418.35,4.451,4,0.433,0.85,1.0,0.9975841272016996,0.9979353711191831,0.9919299568226989,0.9833544650812145,0.992700980056199
EOS-0-00256,Fc1ccc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)c(F)c4)n23)cc1,GHXJSNMFRGTATO-UHFFFAOYSA-N,0,1,0.806,48,240,420.341,4.71,4,0.439,0.81,1.0,0.997806867246933,0.9977211979987664,0.9975841272016996,0.9961620176821329,0.9973185525323829
EOS-0-00257,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3F)n12,DPIAOYYSQLJKAY-UHFFFAOYSA-N,0,1,0.824,23,906,386.789,4.344,4,0.512,0.84,1.0,0.9869183058049482,0.9963247892536495,0.9518881502295936,0.9691333698855459,0.9760661537934343
EOS-0-00258,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1F,SKQADLUJNVLHKY-UHFFFAOYSA-N,0,1,0.846,48,231,382.826,4.514,4,0.509,0.9,1.0,0.9913559728599822,0.9892056747309985,0.9282091700363237,0.9335292303474745,0.9605750119936947
EOS-0-00259,Fc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)cc1,SMCWEMRLFLADCO-UHFFFAOYSA-N,0,1,0.821,48,40,418.35,4.451,4,0.433,0.84,1.0,0.9975926941265163,0.9971557809608663,0.992752381605099,0.9845281337810979,0.9930072476183949
EOS-0-00260,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(F)c1,AXVJPJZAIFXZJH-UHFFFAOYSA-N,0,1,0.824,48,231,393.809,4.077,4,0.51,0.85,1.0,0.9877150298128984,0.9951082859296827,0.9481786717839764,0.9592471386471112,0.9725622815434172
EOS-0-00261,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,NYQKJFCLXAEBDH-UHFFFAOYSA-N,0,1,0.859,48,396,364.38,3.561,4,0.523,0.91,1.0,0.9890771708587486,0.9813840723733809,0.8308118017956274,0.7495288191350833,0.88770046604071
EOS-0-00262,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)ccc1Cl,NELNIPFLLWSBNS-UHFFFAOYSA-N,0,1,0.836,23,86,421.234,4.998,4,0.455,0.8,1.0,0.9959307107120828,0.9981067096155164,0.9816410801178809,0.9913474059351655,0.9917564765951614
EOS-0-00263,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(Br)c4)n23)cc1F,BJCOZMPBPZPLBJ-UHFFFAOYSA-N,0,1,0.889,23,86,449.23,4.593,4,0.447,0.77,1.0,0.9972928517579329,0.9948084435610993,0.9796706874100473,0.9810670961551642,0.9882097697210609
EOS-0-00264,Fc1ccc(-c2nnc3cncc(OCCc4cccc5ccccc45)n23)cc1,GOJLHXMRYJFAQK-UHFFFAOYSA-N,0,1,0.726,79,824,384.414,4.705,5,0.441,0.87,1.0,0.9992289767664999,0.9959221437872661,0.880208690288534,0.9064320471523541,0.9454479644986635
EOS-0-00265,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c(Cl)c1,WGEZYMHALZGEDA-UHFFFAOYSA-N,0,1,0.836,23,86,404.779,4.484,4,0.492,0.76,1.0,0.9933263655678157,0.9961962853813995,0.9812984031252142,0.9883232814748818,0.9897860838873278
EOS-0-00266,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1Cl,OLVAZSKJWQXEFR-UHFFFAOYSA-N,0,1,0.838,48,231,410.264,4.591,4,0.481,0.81,1.0,0.9931378932218491,0.9945086011925159,0.9545781646220273,0.9685850866972792,0.9777024364334178
EOS-0-00267,Cc1ccccc1CCOc1cncc2nnc(-c3ccc(F)c(F)c3)n12,XKPRLKXRMZAWAO-UHFFFAOYSA-N,0,1,0.821,48,101,366.371,3.999,4,0.536,0.81,1.0,0.9911589335891988,0.9884517853471317,0.9133798231786718,0.8993129326297032,0.9480758686861764
EOS-0-00268,Fc1cccc(CCOc2cncc3nnc(-c4ccccc4)n23)c1,HMUMNEBUTWBQAM-UHFFFAOYSA-N,0,1,0.846,48,135,334.354,3.552,4,0.56,0.9,1.0,0.9843653622095813,0.9785227194846138,0.7670995819340689,0.7933572064971558,0.8808362175313549
EOS-0-00269,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Br)c4)n23)cc1F,LHOZWHDCMWDXLB-UHFFFAOYSA-N,0,1,0.877,23,86,431.24,4.454,4,0.469,0.79,1.0,0.9942430265231992,0.9933863340415324,0.9487869234459598,0.9535415667192104,0.9724894626824754
EOS-0-00270,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCOc4ccccc4)n23)cc1,OYIOKWFAACQMHX-UHFFFAOYSA-N,0,1,0.844,48,40,416.359,4.148,4,0.422,0.81,1.0,0.9984665204578165,0.9793451442670139,0.9775974916044137,0.9413851004043589,0.9741985641834008
EOS-0-00271,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4Cl)n23)cc1,RZMLHIWDJWAQKE-UHFFFAOYSA-N,0,1,0.833,48,17,402.788,4.625,4,0.47,0.84,1.0,0.9962905215543828,0.9910304297169488,0.9793794119662805,0.9790624357480638,0.9864406997464189
EOS-0-00272,Clc1ccc(-c2nnc3cncc(OCCCCc4ccccc4)n23)cc1,NMZGXXHAPUWJBA-UHFFFAOYSA-N,0,1,0.757,48,135,378.863,4.846,4,0.431,0.92,1.0,0.9931464601466657,0.9952367898019328,0.564603180042492,0.7124940031526283,0.8163701082859297
EOS-0-00273,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1Cl,VKTUXTCJIQSDAF-UHFFFAOYSA-N,0,1,0.821,23,86,403.244,4.859,4,0.478,0.85,1.0,0.9930008224247824,0.9951168528544994,0.9626739085737783,0.9804331437187307,0.9828061818929477
EOS-0-00274,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(OC(F)F)c4)n23)cc1F,PWMMQERLYSILKY-UHFFFAOYSA-N,0,1,0.789,23,86,436.34,4.432,4,0.401,0.79,1.0,0.9987063943526832,0.9974898910287163,0.9929922554999657,0.9913559728599822,0.9951361284353368
EOS-0-00275,CC(F)(F)c1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)c1,PXGXXNXPTUSANO-UHFFFAOYSA-N,0,1,0.8,48,231,398.388,4.664,4,0.474,0.82,1.0,0.9953652936741827,0.9935148379137825,0.9892656432047152,0.9771862792132137,0.9888330135014735
EOS-0-00276,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Br)n23)cc1,KKYUNFVBZNMDSQ-UHFFFAOYSA-N,0,1,0.891,23,370,447.695,4.968,4,0.433,0.85,1.0,0.993009389349599,0.997806867246933,0.9386351175382085,0.9586046192858612,0.9720139983551505
EOS-0-00277,N#Cc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1F,RBNJHWIMWMOGLK-UHFFFAOYSA-N,0,1,0.809,48,135,359.364,3.424,4,0.546,0.81,1.0,0.9895226509492153,0.9905678157768487,0.8839181687341512,0.8758138578575835,0.9349556233294497
EOS-0-00278,COc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1,MTNHWBIDKRZXFI-UHFFFAOYSA-N,0,1,0.836,48,101,382.37,3.7,4,0.509,0.83,1.0,0.9935748063874992,0.9836286066753478,0.9221352203413062,0.8732352134877664,0.9431434617229799
EOS-0-00279,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1,LCLVXGKHGHRVKH-UHFFFAOYSA-N,0,1,0.806,23,86,404.779,4.484,4,0.492,0.78,1.0,0.9960420807346995,0.9966674662463162,0.9820265917346309,0.9886145569186485,0.9908376739085738
EOS-0-00280,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)ccc1Cl,GLCOICDDRMJEAC-UHFFFAOYSA-N,0,1,0.889,23,86,437.689,5.512,4,0.413,0.82,1.0,0.9981067096155164,0.9986207251045165,0.9859930779247481,0.9948512781851826,0.9943929477074909
EOS-0-00281,Fc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1F,DZSHDHWUTWJALN-UHFFFAOYSA-N,0,1,0.783,23,86,388.324,3.969,4,0.486,0.8,1.0,0.9961705846069495,0.9949369474333494,0.9836714412994312,0.9850335823452814,0.9899531389212529
EOS-0-00282,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c(F)c1,CMNFBXFXPRWYHQ-UHFFFAOYSA-N,0,1,0.836,23,86,421.234,4.998,4,0.455,0.84,1.0,0.9956737029675827,0.9965817969981495,0.9816496470426975,0.9913645397847989,0.9913174216983072
EOS-0-00283,Fc1ccc(-c2nnc3cncc(OCC(F)(F)c4ccc(F)cc4)n23)cc1,YNKAUEWFSAXSCY-UHFFFAOYSA-N,0,1,0.727,48,231,388.324,4.24,4,0.48,0.79,1.0,0.9958193406894661,0.9936947433349325,0.9970701117126997,0.9972243163593997,0.9959521280241245
EOS-0-00284,Fc1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4Cl)n23)c1,CJQWLWHZOBXQJK-UHFFFAOYSA-N,0,1,0.892,23,370,386.789,4.344,4,0.512,0.85,1.0,0.9862329518196148,0.9933949009663491,0.9518967171544103,0.9696816530738126,0.9753015557535467
EOS-0-00285,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1Cl,BCYDTAVOCDWLLP-UHFFFAOYSA-N,0,1,0.887,23,86,464.15,5.482,4,0.393,0.84,1.0,0.997652662600233,0.9983551504351997,0.9545867315468439,0.973125556850113,0.9809300253580975
EOS-0-00286,COc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,FLUNFAMWCKDNHH-UHFFFAOYSA-N,0,1,0.794,48,396,398.825,4.214,4,0.486,0.81,1.0,0.9921955314920157,0.9942772942224659,0.9144249880063052,0.8924936604756357,0.9483478685491056
EOS-0-00287,Fc1ccc(-c2nnc3cncc(OCc4cccc(OC(F)(F)F)c4)n23)cc1,PSKRRUZZWWSYKC-UHFFFAOYSA-N,0,1,0.694,48,444,404.323,4.408,4,0.461,0.86,1.0,0.9981838119388664,0.9921955314920157,0.9948769789596327,0.9905763827016654,0.9939581762730451
EOS-0-00288,Clc1cccc(CCOc2cncc3nnc(-c4ccccc4)n23)c1,ODLFMEFCGSJOEA-UHFFFAOYSA-N,0,1,0.846,48,135,350.809,4.066,4,0.544,0.93,1.0,0.9812812692755808,0.9821379617572477,0.7693869508601192,0.835206634226578,0.8920032040298815
EOS-0-00289,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(Br)cc3)n12,XZMNQBLCKFOLJY-UHFFFAOYSA-N,0,1,0.891,23,370,447.695,4.968,4,0.433,0.85,1.0,0.9928466177780824,0.997318552532383,0.9428072099239257,0.9599410595572613,0.973228359947913
EOS-0-00290,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1,DYQUOYBPNZIOBJ-UHFFFAOYSA-N,0,1,0.806,23,86,388.324,3.969,4,0.486,0.8,1.0,0.9949626482077993,0.994945514358166,0.9816582139675142,0.9845367007059146,0.9890257693098485
EOS-0-00291,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1,MNQMLQURJMUCIQ-UHFFFAOYSA-N,0,1,0.732,23,86,404.779,4.484,4,0.492,0.77,1.0,0.9959392776368995,0.9970701117126997,0.9830717565622644,0.9895826194229319,0.9914159413336989
EOS-0-00292,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(Cl)c1,ZUQQZMOVCWQDQU-UHFFFAOYSA-N,0,1,0.891,23,370,403.244,4.859,4,0.478,0.87,1.0,0.9913645397847989,0.9938489479816325,0.9568912343225275,0.9783856486875471,0.9801225926941265
EOS-0-00293,COc1cccc(CCOc2cncc3nnc(-c4ccc(C#N)cc4)n23)c1,JFBCTLLVNQROFQ-UHFFFAOYSA-N,0,1,0.806,48,576,371.4,3.293,4,0.517,0.86,1.0,0.9930179562744157,0.9810585292303474,0.7980518812966897,0.689937290110342,0.8655164142279487
EOS-0-00294,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1Cl,ALNCRJZVOFMPAN-UHFFFAOYSA-N,0,1,0.833,48,231,410.264,4.591,4,0.481,0.81,1.0,0.9925553423343156,0.9962048523062161,0.9545952984716606,0.9696902199986293,0.9782614282777053
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EOS-0-00351,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(Br)c1,UOWSBWBOTGQAAQ-UHFFFAOYSA-N,0,1,0.891,23,370,447.695,4.968,4,0.433,0.84,1.0,0.9923840038379823,0.9952453567267494,0.9386436844630252,0.9592557055719279,0.9713821876499211
EOS-0-00352,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)cc1,MCEBPBYIQKWZRY-UHFFFAOYSA-N,0,1,0.815,23,370,419.699,5.373,4,0.436,0.79,1.0,0.995382427523816,0.9982352134877664,0.9615859091220615,0.985042149270098,0.9850614248509355
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EOS-0-00357,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)c(F)c4)n23)cc1F,OXZXJDPYZZDMAM-UHFFFAOYSA-N,0,1,0.838,23,86,436.34,4.432,4,0.401,0.75,1.0,0.995228222877116,0.9970786786375163,0.9928723185525323,0.9908933589198822,0.9940181447467618
EOS-0-00358,FC(F)Oc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,NVVNOYLMSBSYAD-UHFFFAOYSA-N,0,1,0.882,48,40,466.366,4.913,4,0.344,0.83,1.0,0.9984065519840998,0.9928466177780824,0.9966503323966829,0.990584949626482,0.9946221129463367
EOS-0-00359,Fc1cccc(F)c1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,XFVQCVWSFAACOS-UHFFFAOYSA-N,0,1,0.791,48,17,404.323,4.25,4,0.45,0.78,1.0,0.9955708998697828,0.9916643821533823,0.9891285724076485,0.9864385580152149,0.9907006031115071
EOS-0-00360,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,JRTZJFCBYBLZAE-UHFFFAOYSA-N,0,1,0.792,48,40,400.36,4.153,4,0.466,0.83,1.0,0.9884175176478651,0.9923069015146323,0.9590843670755945,0.9453858542937427,0.9712986601329587
EOS-0-00361,Fc1ccc(-c2nnc3cncc(OCc4ccccc4)n23)cc1F,MTVMDYKAEMJHFZ-UHFFFAOYSA-N,0,1,0.727,48,135,338.317,3.649,4,0.57,0.87,1.0,0.9890943047083819,0.9774946885066137,0.9371873072441916,0.9396545815913919,0.9608577205126447
EOS-0-00362,Cc1ccc(F)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,UTZLSDQOHPTGAX-UHFFFAOYSA-N,0,1,0.746,48,17,352.344,3.957,4,0.558,0.86,1.0,0.993163593996299,0.9802618052223974,0.9428157768487424,0.9371359056952916,0.9633442704406827
EOS-0-00363,Fc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1C(F)(F)F,CECABXHRLUSFTK-UHFFFAOYSA-N,0,1,0.857,48,444,458.293,5.64,4,0.371,0.86,1.0,0.9979268041943664,0.9953738605989993,0.9998971969022,0.9998115276540334,0.9982523473373999
EOS-0-00364,Clc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1,FWWXHRFUVHODLX-UHFFFAOYSA-N,0,1,0.815,48,400,351.797,3.461,4,0.551,0.87,1.0,0.9859845109999315,0.9884603522719485,0.6673891439928723,0.7337999451716811,0.8439084881091083
EOS-0-00365,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(F)cc5)n34)cc2)cc1,XRVUIQLIZKHOAR-UHFFFAOYSA-N,0,1,0.887,83,497,428.442,5.358,5,0.365,0.86,1.0,0.9986806935782332,0.9985179220067165,0.9568998012473443,0.9610204920841615,0.9787797272291139
EOS-0-00366,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1Cl,OCWLVAJRIPMRGE-UHFFFAOYSA-N,0,1,0.851,48,240,436.796,5.224,4,0.402,0.8,1.0,0.9963761908025495,0.9975841272016996,0.9985007881570831,0.9982694811870331,0.9976826468370913
EOS-0-00367,Fc1cccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,FLAJQFGEJURIPV-UHFFFAOYSA-N,0,1,0.716,48,444,404.323,4.408,4,0.461,0.82,1.0,0.9963847577273662,0.9896511548214653,0.9950054828318826,0.9907305873483654,0.99294299568227
EOS-0-00368,FC(F)(F)c1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,LYJRWGNIIPYYBK-UHFFFAOYSA-N,0,1,0.809,48,64,453.251,5.738,4,0.387,0.86,1.0,0.9994945514358166,0.9990662051949832,0.9975926941265163,0.9982780481118497,0.9986078747172914
EOS-0-00369,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)cc1,YHQSVCGVPAQZEZ-UHFFFAOYSA-N,0,1,0.882,48,40,466.366,4.913,4,0.344,0.83,1.0,0.998115276540333,0.9924868069357823,0.9966588993214995,0.9905935165512988,0.9944636248372284
EOS-0-00370,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1F,SSSCGSPQHLKECQ-UHFFFAOYSA-N,0,1,0.824,23,86,384.361,4.139,4,0.519,0.78,1.0,0.9889401000616819,0.987415187444315,0.9687564251936125,0.9616116098965115,0.9766808306490302
EOS-0-00371,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,KLQFLAHUOCSVQE-UHFFFAOYSA-N,0,1,0.833,23,370,404.779,4.484,4,0.492,0.83,1.0,0.9898824617915153,0.9964875608251662,0.977254814611747,0.9861472825714481,0.987443029949969
EOS-0-00372,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccccc3)n12,GTNVMUQCOSBCDM-UHFFFAOYSA-N,0,1,0.761,48,135,368.799,4.205,4,0.529,0.83,1.0,0.9892742101295319,0.9862672195188815,0.8764049756699335,0.9130799808100885,0.9412565965321088
EOS-0-00373,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)c1F,OCVDESNQZWEBQG-UHFFFAOYSA-N,0,1,0.809,23,906,370.334,3.83,4,0.501,0.88,1.0,0.9827119457199643,0.9889058323624151,0.9505688438078267,0.9490610650400932,0.9678119217325749
EOS-0-00374,FC(F)Oc1ccc(-c2nnc3cncc(Oc4cccc(C(F)(F)F)c4)n23)cc1,MHFMICNOKLMYQN-UHFFFAOYSA-N,0,1,0.821,48,444,422.313,5.204,4,0.414,0.79,1.0,0.9963933246521829,0.992315468439449,0.9992975121650333,0.9983979850592831,0.9966010725789871
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EOS-0-00376,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)cc(F)c1F,IEGSCEWMVSMJCF-UHFFFAOYSA-N,0,1,0.859,23,101,370.334,3.83,4,0.501,0.82,1.0,0.9850592831197313,0.9879891714070317,0.9557861010211774,0.9528733465835104,0.9704269755328627
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EOS-0-00393,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)c(F)c1,HGZFOTJGZGQILU-UHFFFAOYSA-N,0,1,0.891,23,370,431.24,4.454,4,0.469,0.79,1.0,0.9900795010622987,0.9912703036118155,0.9421218559385923,0.9497207182509766,0.9682980947159208
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EOS-0-00397,COc1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1,SMYHHMLKSHABIF-UHFFFAOYSA-N,0,1,0.814,48,396,364.38,3.561,4,0.523,0.88,1.0,0.9872095812487149,0.9722945651428964,0.8178928791720924,0.7366270303611816,0.8785060139812213
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EOS-0-00400,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c(Cl)c1,TVKXXMIONRBJAG-UHFFFAOYSA-N,0,1,0.824,23,906,386.789,4.344,4,0.512,0.86,1.0,0.9816153793434309,0.9905935165512988,0.9519052840792269,0.9691419368103625,0.9733140291960798
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EOS-0-00404,Nc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1F,FMRUGRNEXCJDPV-UHFFFAOYSA-N,0,1,0.847,48,231,383.814,3.788,4,0.53,0.79,1.0,0.987723596737715,0.9789167980261805,0.8654136111301487,0.8911229525049689,0.9307942395997533
EOS-0-00405,Fc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)cc1F,QZZLRZLKPDYYJD-UHFFFAOYSA-N,0,1,0.864,23,86,386.789,4.344,4,0.512,0.79,1.0,0.9776317593036804,0.9912788705366322,0.9621855938592283,0.9731341237749298,0.9760575868686177
EOS-0-00406,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccccc4)n23)c1,LZCDDMFVMBCRDS-UHFFFAOYSA-N,0,1,0.743,48,135,352.344,3.691,4,0.55,0.86,1.0,0.9840655198409979,0.9789253649509972,0.8932646837091358,0.9028939072030704,0.9397873689260503
EOS-0-00407,COc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,YSBBNNQLRKBGDI-UHFFFAOYSA-N,0,1,0.821,48,396,380.835,4.075,4,0.504,0.9,1.0,0.9862500856692482,0.9734939346172298,0.8216109245425263,0.7862466588993215,0.8919004009320814
EOS-0-00408,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)cc1,NMBWBFBDNOMASG-UHFFFAOYSA-N,0,1,0.77,48,40,451.26,5.321,4,0.381,0.77,1.0,0.9975070248783496,0.9981238434651497,0.9825491741484477,0.9869011719553149,0.9912703036118155
EOS-0-00409,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c(Cl)c1,AMMAXLCQKSVMPA-UHFFFAOYSA-N,0,1,0.836,23,86,421.234,4.998,4,0.455,0.8,1.0,0.9927095469810157,0.9945343019669659,0.9816753478171476,0.9916386813789322,0.9901394695360153
EOS-0-00410,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccccc3Cl)n12,SLJHAKCOFQYBRE-UHFFFAOYSA-N,0,1,0.824,23,906,403.244,4.859,4,0.478,0.81,1.0,0.9864642587896648,0.995767939140566,0.9531817558769105,0.977203413062847,0.978154341717497
EOS-0-00411,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(OC(F)F)c4)n23)cc1,QMBDETLBLQYYGG-UHFFFAOYSA-N,0,1,0.775,48,240,434.805,4.807,4,0.418,0.77,1.0,0.9966674662463162,0.9982437804125831,0.9851792200671647,0.9840655198409979,0.9910389966417654
EOS-0-00412,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCOc4ccc(Cl)cc4)n23)cc1,SWGGDYHBSGSLSJ-UHFFFAOYSA-N,0,1,0.704,48,40,450.804,4.801,4,0.377,0.85,1.0,0.9985436227811665,0.992495373860599,0.9905592488520321,0.9816839147419643,0.9908205400589405
EOS-0-00413,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(Cl)c1,CLJQJWXCIXCUPV-UHFFFAOYSA-N,0,1,0.836,23,86,421.234,4.998,4,0.455,0.79,1.0,0.9927181139058323,0.9941145226509492,0.9816839147419643,0.9916472483037488,0.9900409499006237
EOS-0-00414,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1F,KJKYKMPYUFXQEO-UHFFFAOYSA-N,0,1,0.789,23,86,400.36,3.839,4,0.492,0.75,1.0,0.9939431841546159,0.9833544650812145,0.962194160784045,0.9371530395449249,0.9691612123912001
EOS-0-00415,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,JEPBLJHJJSGQMI-UHFFFAOYSA-N,0,1,0.821,48,40,434.805,4.965,4,0.429,0.85,1.0,0.994971215132616,0.9955109313960661,0.9928808854773491,0.9886316907682818,0.9929986806935783
EOS-0-00416,Fc1ccc(CCOc2cncc3nnc(-c4cccc(F)c4)n23)cc1,SVUAUCIZSFSRJW-UHFFFAOYSA-N,0,1,0.906,48,231,352.344,3.691,4,0.55,0.93,1.0,0.9653039544924954,0.9807158522376808,0.9069888972654376,0.9186913165650058,0.9429250051401549
EOS-0-00417,COc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1,QBWHKDFUOWUZDL-UHFFFAOYSA-N,0,1,0.814,48,101,398.825,4.214,4,0.486,0.79,1.0,0.9874751559180317,0.9896597217462819,0.9164296484134056,0.8925022274004524,0.9465166883695428
EOS-0-00418,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4)n23)cc1,SWTLQCNNGDCVGL-UHFFFAOYSA-N,0,1,0.841,48,444,386.333,4.269,4,0.513,0.86,1.0,0.9908590912206154,0.952599204989377,0.9885974230690151,0.972354533616613,0.9761025632239051
EOS-0-00419,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(Cl)c(Cl)c3)n12,BQAQYPICPNFMQG-UHFFFAOYSA-N,0,1,0.836,23,86,437.689,5.512,4,0.413,0.86,1.0,0.9937375779590158,0.9975926941265163,0.9820351586594476,0.9937889795079159,0.9917886025632239
EOS-0-00420,OCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,OXQCXHPJRXSODQ-UHFFFAOYSA-N,0,1,0.838,48,948,382.37,3.183,4,0.555,0.8,1.0,0.9832345281337811,0.9740593516551299,0.940014392433692,0.9164467822630389,0.9534387636214104
EOS-0-00421,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1OC(F)F,BZAGPFIGUNYFPR-UHFFFAOYSA-N,0,1,0.775,48,240,434.805,4.807,4,0.418,0.78,1.0,0.9964789939003496,0.9973356863820163,0.9855647316839148,0.9840740867658145,0.9908633746830239
EOS-0-00422,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,RDFALIXGCIQEMV-UHFFFAOYSA-N,0,1,0.791,48,400,386.242,4.115,4,0.483,0.84,1.0,0.989685422520732,0.9918271537248989,0.8234785141525598,0.8858971283668015,0.922722054691248
EOS-0-00423,Fc1ccccc1COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,SJZBIKYUGOUAGB-UHFFFAOYSA-N,0,1,0.704,48,444,404.323,4.408,4,0.461,0.83,1.0,0.9964018915769995,0.9910475635665822,0.995125419779316,0.990739154273182,0.9933285072990199
EOS-0-00424,Fc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c1,KLFYLTQOZVWJEM-UHFFFAOYSA-N,0,1,0.864,23,86,403.244,4.859,4,0.478,0.9,1.0,0.9788653964772805,0.9901566033856487,0.9622027277088616,0.9790710026728805,0.9775739325611678
EOS-0-00425,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,YFADBMGZKAZDPQ-UHFFFAOYSA-N,0,1,0.686,90,400,369.787,3.6,4,0.537,0.85,1.0,0.9850764169693647,0.9912874374614489,0.7647351106846686,0.8291069837571106,0.8925514872181481
EOS-0-00426,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)cc1,CNHOHERLIIYZSE-UHFFFAOYSA-N,0,1,0.833,48,240,436.796,5.224,4,0.402,0.84,1.0,0.9971986155849496,0.9965903639229662,0.9976012610513331,0.997421355630183,0.997202899047358
EOS-0-00427,N#Cc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)cc1,CXZFTGVGCBUTDG-UHFFFAOYSA-N,0,1,0.866,48,101,375.819,3.938,4,0.528,0.86,1.0,0.9719775889246796,0.987183880474265,0.8945240216571859,0.9130885477349051,0.9416935096977589
EOS-0-00428,Cc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,GKUFCBQYYGLCAS-UHFFFAOYSA-N,0,1,0.797,48,240,398.388,4.74,4,0.487,0.86,1.0,0.9941230895757659,0.9865070934137482,0.9913131382358988,0.9739308477828799,0.9864685422520731
EOS-0-00429,Fc1ccc(CCOc2cncc3nnc(-c4ccc5ccccc5c4)n23)cc1,UNBHGTGMTPZWEZ-UHFFFAOYSA-N,0,1,0.843,79,824,384.414,4.705,5,0.441,0.88,1.0,0.9866527311356316,0.9889143992872319,0.889752244534302,0.9121461860050716,0.9443663902405592
EOS-0-00430,Fc1cccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1F,XFFPKTZNVMPQLG-UHFFFAOYSA-N,0,1,0.743,48,254,390.296,4.463,4,0.471,0.84,1.0,0.9840740867658145,0.9914159413336988,0.9912189020629155,0.9893427455280652,0.9890129189226236
EOS-0-00432,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,LXWRJPLMJVZRPG-UHFFFAOYSA-N,0,1,0.859,48,40,469.25,5.618,4,0.367,0.85,1.0,0.9946542389143993,0.9972328832842163,0.9967959701185662,0.9968645055170996,0.9963868994585704
EOS-0-00433,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)c1Cl,RASBYLQBYNVVAN-UHFFFAOYSA-N,0,1,0.809,23,906,386.789,4.344,4,0.479,0.84,1.0,0.9832430950585977,0.9906020834761154,0.9505774107326435,0.960540744294428,0.9712408333904461
EOS-0-00434,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,WMRNVLOFWWAMRX-UHFFFAOYSA-N,0,1,0.729,48,40,425.37,4.183,4,0.461,0.83,1.0,0.994662805839216,0.9906106504009321,0.9905678157768487,0.9768179014460969,0.9881647933657735
EOS-0-00435,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)cc1Cl,PNOHVLBQLHWVPB-UHFFFAOYSA-N,0,1,0.783,23,906,386.789,4.344,4,0.479,0.83,1.0,0.9859930779247481,0.9903879103556987,0.9505859776574601,0.9622541292577617,0.9723052737989171
EOS-0-00436,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccccc4)n23)c1,AKXTVVLKZKBBEJ-UHFFFAOYSA-N,0,1,0.803,48,135,368.799,4.205,4,0.529,0.83,1.0,0.9794993489137139,0.9843824960592146,0.8875419779316017,0.917500514015489,0.9422310842300048
EOS-0-00437,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cc1,UBDAOLUNBABZQG-UHFFFAOYSA-N,0,1,0.906,79,650,410.452,5.219,5,0.385,0.85,1.0,0.9959478445617161,0.9957765060653828,0.9036991981358372,0.9098673840038379,0.9513227331916935
EOS-0-00438,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1,HOLANZCLCYXYDD-UHFFFAOYSA-N,0,1,0.806,23,86,421.234,4.998,4,0.455,0.77,1.0,0.9952367898019328,0.9955966006442327,0.9820437255842642,0.9916558152285656,0.9911332328147489
EOS-0-00439,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1F,FPPRSKBQUZSKSF-UHFFFAOYSA-N,0,1,0.809,48,231,398.825,3.698,4,0.536,0.89,1.0,0.9864728257144816,0.9760468782125968,0.9346086628743746,0.9362278116647248,0.9583390446165444
EOS-0-00440,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1Cl,LRZBGLZRSHANNS-UHFFFAOYSA-N,0,1,0.846,48,231,399.281,5.028,4,0.473,0.85,1.0,0.9881519429785485,0.9903964772805154,0.9299396888492907,0.9497292851757932,0.964554348571037
EOS-0-00441,Fc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1F,CXPGDVFAKUNGAI-UHFFFAOYSA-N,0,1,0.765,23,906,386.789,4.344,4,0.512,0.86,1.0,0.9869354396545816,0.9874323212939483,0.9580306353231444,0.9701185662394627,0.9756292406277842
EOS-0-00442,O=[N+]([O-])c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,LFKKGGCHBUTGKH-UHFFFAOYSA-N,0,1,0.809,48,231,395.806,3.974,4,0.362,0.85,1.0,0.9983380165855664,0.9775032554314304,0.6508035775478035,0.49856932355561645,0.7813035432801042
EOS-0-00443,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)cc1,PXYKUNLACPRQIP-UHFFFAOYSA-N,0,1,0.908,83,497,446.432,5.497,5,0.346,0.79,1.0,0.9989034336234666,0.9987663628263999,0.9787283256802138,0.9810756630799808,0.9893684463025153
EOS-0-00444,Fc1ccc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)c4)n23)cc1,QOEMUIOPDLQQQY-UHFFFAOYSA-N,0,1,0.725,48,17,388.324,4.528,4,0.482,0.88,1.0,0.9952453567267494,0.9856247001576314,0.997498457953533,0.9960420807346995,0.9936026488931533
EOS-0-00445,Fc1cc(F)c(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)c1,CRTWQMJDVQCTQI-UHFFFAOYSA-N,0,1,0.818,23,906,370.334,3.83,4,0.536,0.83,1.0,0.9816239462682476,0.9830631896374478,0.9315331368651909,0.9379411966280584,0.9585403673497361
EOS-0-00446,Fc1ccccc1CCOc1cncc2nnc(-c3ccccc3)n12,ULFBYYOHFBCCMJ-UHFFFAOYSA-N,0,1,0.864,48,135,334.354,3.552,4,0.56,0.92,1.0,0.9754129257761633,0.9710609279692961,0.7671081488588856,0.7908556644506888,0.8761094167637584
EOS-0-00447,COc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1,SWMAKKQMNFQQON-UHFFFAOYSA-N,0,1,0.836,48,101,415.28,4.728,4,0.456,0.84,1.0,0.990405044205332,0.9865156603385649,0.9239428414776232,0.9141936810362552,0.9537643067644437
EOS-0-00448,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)c(F)c1,MKZRIXHBZALYGY-UHFFFAOYSA-N,0,1,0.743,48,135,352.344,3.691,4,0.55,0.85,1.0,0.9812984031252142,0.9765608937015968,0.8932732506339525,0.9016945377287369,0.9382067712973752
EOS-0-00449,Fc1ccccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,QMFIZMKQGJBHHN-UHFFFAOYSA-N,0,1,0.889,48,906,368.799,4.205,4,0.529,0.93,1.0,0.970367007059146,0.9836371736001644,0.8991415941333699,0.9311733260228908,0.9460797752038927
EOS-0-00450,OCc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,NWLRDFYXYMAFNN-UHFFFAOYSA-N,0,1,0.836,48,135,346.39,2.905,4,0.581,0.92,1.0,0.9838427797957645,0.8952093756425193,0.6891491330272086,0.6379874580220684,0.8015471866218902
EOS-0-00451,FC(F)(F)Oc1cccc(CCOc2cncc3nnc(-c4ccccc4)n23)c1,OLEYARKIXXSGBR-UHFFFAOYSA-N,0,1,0.761,48,40,400.36,4.311,4,0.483,0.9,1.0,0.9879206360084984,0.9862757864436982,0.9793879788910973,0.9528819135083271,0.9766165787129053
EOS-0-00452,COc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1,IVWLTFGSVBOIBN-UHFFFAOYSA-N,0,1,0.838,48,396,382.37,3.7,4,0.509,0.85,1.0,0.9821807963813309,0.980270372147214,0.9047700637379207,0.8569409224864643,0.9310405386882326
EOS-0-00453,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)cc1,PMTJUJUAUZZTEG-UHFFFAOYSA-N,0,1,0.877,79,650,410.452,5.219,5,0.385,0.87,1.0,0.9951168528544994,0.9964961277499829,0.9037077650606539,0.9109810842300048,0.9515754574737852
EOS-0-00454,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1Cl,GMNSMYVQNJROMJ-UHFFFAOYSA-N,0,1,0.806,48,40,416.815,4.668,4,0.438,0.81,1.0,0.9891028716331985,0.9906192173257488,0.9622112946336783,0.9555376602014941,0.97436776094853
EOS-0-00455,CC(Oc1cncc2nnc(-c3ccc(F)cc3)n12)c1ccc(F)cc1,PCSCDBQKLIETRS-UHFFFAOYSA-N,0,1,0.69,48,231,352.344,4.21,4,0.552,0.85,1.0,0.9832516619834144,0.9821636625316976,0.97524158727983,0.9710780618189295,0.9779337434034678
EOS-0-00456,N#Cc1ccc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)cc1,FVOYXGZYOWCCSW-UHFFFAOYSA-N,0,1,0.735,48,254,365.755,4.248,4,0.542,0.9,1.0,0.9872181481735316,0.9789339318758139,0.972791446782263,0.9797220889589473,0.979666403947639
EOS-0-00457,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cn1,OWCMBRQDEXDKSP-UHFFFAOYSA-N,0,1,0.847,90,948,378.342,2.958,4,0.53,0.83,1.0,0.980167569049414,0.977511822356247,0.898130697005003,0.8786580768967172,0.9336170413268453
EOS-0-00458,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,UOWOAQAURLYDBK-UHFFFAOYSA-N,0,1,0.727,48,240,434.805,4.807,4,0.418,0.83,1.0,0.9937461448838325,0.9957850729901995,0.9836800082242478,0.9837142759235145,0.9892313755054485
EOS-0-00459,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1C(F)(F)F,BIAJFJHMQVSLMH-UHFFFAOYSA-N,0,1,0.809,48,240,402.351,4.571,4,0.459,0.85,1.0,0.9917243506270988,0.9896682886710986,0.9938318141319992,0.9866955657597148,0.9904800047974779
EOS-0-00460,Fc1cc(CCOc2cncc3nnc(-c4ccccc4F)n23)ccc1Cl,FSNSBXQVWCLFTE-UHFFFAOYSA-N,0,1,0.846,23,86,386.789,4.344,4,0.512,0.87,1.0,0.9798334589815639,0.9862843533685148,0.9574823521348776,0.9701271331642793,0.973431824412309
EOS-0-00461,Fc1cccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)c(F)c4)n23)c1,HWRDAXNJJMWZJU-UHFFFAOYSA-N,0,1,0.714,48,240,418.35,4.292,4,0.419,0.82,1.0,0.9906192173257488,0.9941230895757659,0.9833030635323144,0.9772119799876636,0.9863143376053731
EOS-0-00462,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)c(F)c1,MJXHNLWQVJJZEM-UHFFFAOYSA-N,0,1,0.794,23,370,404.779,4.484,4,0.492,0.82,1.0,0.9896939894455486,0.993009389349599,0.9787368926050305,0.9869097388801316,0.9870875025700774
EOS-0-00463,Fc1ccc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1,LWEGHBMODFCRFV-UHFFFAOYSA-N,0,1,0.712,23,370,356.307,3.788,4,0.558,0.87,1.0,0.9850849838941813,0.9785312864094304,0.9716434788568296,0.9768264683709136,0.9780215543828388
EOS-0-00464,Fc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,SEBNUWSEPWEXBR-UHFFFAOYSA-N,0,1,0.841,48,444,390.296,4.621,4,0.476,0.86,1.0,0.9769549722431636,0.9862929202933315,0.9957936399150161,0.9930350901240491,0.9880191556438901
EOS-0-00465,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,HNYBGSSDRJWPOA-UHFFFAOYSA-N,0,1,0.824,23,906,403.244,4.859,4,0.478,0.83,1.0,0.9821893633061476,0.9949540812829827,0.952522102666027,0.9759783428140635,0.9764109725173051
EOS-0-00466,Cc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)ccc1F,AHHLBWKFSLRHIO-UHFFFAOYSA-N,0,1,0.797,23,86,417.271,5.167,4,0.45,0.83,1.0,0.9931721609211157,0.9955194983208827,0.9692104722088959,0.9763895552052635,0.9835729216640394
EOS-0-00467,Fc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(OC(F)F)c4)n23)c1,IEDQOZRBCFGJAR-UHFFFAOYSA-N,0,1,0.688,48,240,418.35,4.292,4,0.419,0.8,1.0,0.9952539236515661,0.9942858611472826,0.9836885751490645,0.9780344047700638,0.9878156911794942
EOS-0-00468,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)c(Cl)c1,REPGZAHYQNEFQT-UHFFFAOYSA-N,0,1,0.891,23,370,447.695,4.968,4,0.433,0.79,1.0,0.9892827770543485,0.9932406963196491,0.942130422863409,0.9605493112192447,0.9713008018641629
EOS-0-00469,Fc1ccc(-c2nnc3cncc(OCc4c(F)ccc(F)c4F)n23)cc1,WYXWVACFBHNLLF-UHFFFAOYSA-N,0,1,0.731,23,17,374.297,3.927,4,0.401,0.79,1.0,0.9960592145843328,0.9894284147762319,0.987569392091015,0.989788225618532,0.9907113117675279
EOS-0-00470,Clc1ccccc1CCOc1cncc2nnc(-c3ccccc3)n12,JGVYOIDVVSEHJA-UHFFFAOYSA-N,0,1,0.864,48,135,350.809,4.066,4,0.544,0.92,1.0,0.9722602974436296,0.9770920430402302,0.7693955177849359,0.837091357686245,0.8889598039887603
EOS-0-00471,COc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,LCQTVKYXFDXGEX-UHFFFAOYSA-N,0,1,0.7,48,17,384.798,4.171,4,0.516,0.88,1.0,0.9915101775066822,0.9817096155164142,0.9299482557741073,0.9142022479610719,0.9543425741895688
EOS-0-00472,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)cc1,UKTYDXJBPPTRLT-UHFFFAOYSA-N,0,1,0.833,48,240,420.341,4.71,4,0.439,0.79,1.0,0.995690836817216,0.9912960043862655,0.9976098279761497,0.9961705846069495,0.9951918134466451
EOS-0-00473,Fc1cccc(-c2nnc3cncc(OCCc4ccc(OC(F)F)cc4)n23)c1,QCVWBPXVGRFSCI-UHFFFAOYSA-N,0,1,0.817,48,40,400.36,4.153,4,0.466,0.84,1.0,0.9832602289082311,0.990405044205332,0.966734630936879,0.9548266054417106,0.9738066273730381
EOS-0-00474,Fc1cc(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)ccc1Cl,XRCDEJNUJKMRQE-UHFFFAOYSA-N,0,1,0.864,23,86,403.244,4.859,4,0.478,0.86,1.0,0.9773404838599137,0.9894369817010485,0.9622198615584949,0.9794565142896305,0.977113460352272
EOS-0-00475,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,NNXQRZWFTACHFY-UHFFFAOYSA-N,0,1,0.851,48,240,453.251,5.738,4,0.387,0.85,1.0,0.9963076554040162,0.9966846000959496,0.9985093550818998,0.9988263313001166,0.9975819854704955
EOS-0-00476,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4F)n23)cc1,KOVHKGDQMSQZKL-UHFFFAOYSA-N,0,1,0.776,23,86,404.779,4.484,4,0.46,0.79,1.0,0.9927266808306491,0.9930179562744157,0.9807501199369474,0.9861644164210814,0.9881647933657733
EOS-0-00477,Fc1ccc(-c2nnc3cncc(OCCc4cccc(OC(F)(F)F)c4)n23)cc1F,BFCUCCMAYFFRGW-UHFFFAOYSA-N,0,1,0.781,48,40,436.34,4.59,4,0.414,0.83,1.0,0.9917329175519156,0.9957936399150161,0.9963333561784662,0.9934720032896991,0.9943329792337743
EOS-0-00478,Fc1ccc(CCOc2cncc3nnc(-c4cccc(OC(F)F)c4)n23)cc1,NVTOYSATVJFDOX-UHFFFAOYSA-N,0,1,0.75,48,40,400.36,4.153,4,0.466,0.86,1.0,0.9889486669864985,0.9896768555959153,0.9674199849222124,0.9555462271263108,0.9753979336577342
EOS-0-00479,CC(Oc1cncc2nnc(-c3ccc(F)cc3)n12)c1ccccc1,HZHOFOZCTGDEPA-UHFFFAOYSA-N,0,1,0.681,48,135,334.354,4.07,4,0.564,0.87,1.0,0.9776403262284971,0.9810670961551642,0.9322013570008909,0.9186998834898225,0.9524021657185936
EOS-0-00480,OCc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,WSSLRYSYKPYDKT-UHFFFAOYSA-N,0,1,0.746,48,231,380.835,3.559,4,0.553,0.89,1.0,0.9847166061270646,0.9750017133849633,0.8565297100952642,0.8587742443972312,0.9187555685011309
EOS-0-00481,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,WCGHKANDERMGII-UHFFFAOYSA-N,0,1,1.0,48,948,413.796,4.114,4,0.348,0.76,1.0,0.9974299225549996,0.9439723116989925,0.8162908642313755,0.6754077856212733,0.8582752210266603
EOS-0-00482,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccccc4)n23)c1,PKIKEQSBUBQNTG-UHFFFAOYSA-N,0,1,0.803,48,135,352.344,3.691,4,0.55,0.85,1.0,0.9761753820848468,0.9745390994448633,0.8863683092317182,0.8967856898087863,0.9334671201425535
EOS-0-00483,COc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(F)c(F)c3)n12,SWKWMSNNLIULIW-UHFFFAOYSA-N,0,1,0.693,23,86,400.36,3.839,4,0.492,0.82,1.0,0.9917414844767323,0.987723596737715,0.9512456308683435,0.9259475018847234,0.9641645534918786
EOS-0-00484,Fc1cccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1F,TUXFKLUPTHVPQP-UHFFFAOYSA-N,0,1,0.667,48,40,436.34,4.59,4,0.414,0.74,1.0,0.994817010485916,0.9968216708930162,0.9964190254266329,0.9932663970940991,0.9953310259749161
EOS-0-00485,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,BHOCIAVZHSXUJE-UHFFFAOYSA-N,0,1,0.833,23,370,404.779,4.484,4,0.492,0.76,1.0,0.9889572339113152,0.9939688849290659,0.9772719484613803,0.9861729833458982,0.986592762661915
EOS-0-00486,Fc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4F)n23)cc1,UVIAERJACILRSK-UHFFFAOYSA-N,0,1,0.765,23,906,386.789,4.344,4,0.512,0.87,1.0,0.985556164759098,0.9856332670824481,0.958039202247961,0.970135700089096,0.9748410835446508
EOS-0-00487,Clc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(Br)cc3)n12,PNWSXLAZZOOTAH-UHFFFAOYSA-N,0,1,0.788,23,370,464.15,5.482,4,0.393,0.78,1.0,0.9964104585018162,0.9971814817353163,0.9386522513878418,0.9685936536220958,0.9752094613117676
EOS-0-00488,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cc1C(F)(F)F,JLQJJHXRTMHQRF-UHFFFAOYSA-N,0,1,0.775,48,64,402.351,4.571,4,0.459,0.82,1.0,0.9939517510794326,0.987440888218765,0.9937033102597491,0.9853077239394147,0.9901009183743403
EOS-0-00489,Fc1ccc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)cc1,AOONDINXZNVZKK-UHFFFAOYSA-N,0,1,0.766,23,254,342.28,4.001,4,0.565,0.85,1.0,0.9810242615310808,0.9814012062230142,0.9779487355218971,0.9833715989308478,0.98093645055171
EOS-0-00490,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc(F)c1F,CGLFSALCHKJMSL-UHFFFAOYSA-N,0,1,0.768,23,86,404.779,4.484,4,0.46,0.78,1.0,0.9907220204235487,0.9942944280720992,0.9816924816667809,0.9869183058049482,0.9884068089918443
EOS-0-00491,Fc1ccc(CCOc2cncc3nnc(-c4cccc(F)c4F)n23)cc1,HSTULMUPVQQFNY-UHFFFAOYSA-N,0,1,0.765,23,906,370.334,3.83,4,0.536,0.83,1.0,0.9843910629840312,0.982771914193681,0.9574909190596943,0.9610290590089782,0.9714207388115961
EOS-0-00492,Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cn1,XDZUFAUEJLFRDD-UHFFFAOYSA-N,0,1,0.791,48,400,349.369,3.255,4,0.553,0.89,1.0,0.9847251730518813,0.977100609965047,0.664690562675622,0.6260879994517168,0.8131510862860667
EOS-0-00493,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1F,BDZAFPNBDZWXSV-UHFFFAOYSA-N,0,1,0.809,48,231,398.825,4.214,4,0.486,0.78,1.0,0.9902851072578988,0.9821722294565143,0.9155301213076554,0.8953378795147694,0.9458313343842095
EOS-0-00494,Fc1ccc(-c2nnc3cncc(OCCc4ccco4)n23)cc1,CCHOTRDAINGRTF-UHFFFAOYSA-N,0,1,0.757,90,400,324.315,3.145,4,0.564,0.9,1.0,0.9879292029333151,0.9515197724624769,0.6646991296004386,0.67541635254609,0.8198911143855802
EOS-0-00495,Clc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1Cl,SKIPHEJIMWMRPP-UHFFFAOYSA-N,0,1,0.821,23,86,419.699,5.373,4,0.436,0.84,1.0,0.9881605099033651,0.9952539236515661,0.9632136248372284,0.9850507161949147,0.9829196936467686
EOS-0-00496,Fc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)c(F)c1,QAQSZSZBJXZENB-UHFFFAOYSA-N,0,1,0.775,23,370,388.324,3.969,4,0.486,0.79,1.0,0.9879377698581318,0.9914245082585155,0.9789596326502639,0.9825063395243643,0.9852070625728189
EOS-0-00497,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,SGAVWZSYVKHRDM-UHFFFAOYSA-N,0,1,0.654,48,40,436.34,4.59,4,0.414,0.82,1.0,0.9925724761839491,0.9966931670207663,0.9962476869302995,0.9936433417860325,0.9947891679802618
EOS-0-00498,Fc1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1,YWRPCPHTDHIYEL-UHFFFAOYSA-N,0,1,0.75,90,400,353.332,3.086,4,0.552,0.85,1.0,0.9864813926392982,0.9780344047700638,0.8162994311561922,0.8352152011513947,0.9040076074292374
EOS-0-00499,Clc1ccc(-c2nnc3cncc(OCCc4ccco4)n23)cc1,RKIYJXVYHRESEB-UHFFFAOYSA-N,0,1,0.757,90,400,340.77,3.659,4,0.554,0.88,1.0,0.9843996299088479,0.9745476663696799,0.667397710917689,0.7310585292303474,0.839350884106641
EOS-0-00500,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4F)n23)cc1Cl,OKJRRXHAZDUFFG-UHFFFAOYSA-N,0,1,0.846,23,86,386.789,4.344,4,0.512,0.83,1.0,0.9795079158385306,0.9865242272633815,0.957499485984511,0.9701442670139127,0.9734189740250839
EOS-0-00501,Oc1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1,MIVLLIBHSNMRMW-UHFFFAOYSA-N,0,1,0.803,48,135,350.353,3.258,4,0.598,0.76,1.0,0.9821979302309642,0.97501028030978,0.7934343088205058,0.7769772462476869,0.8819049414022342
EOS-0-00502,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1C(F)(F)F,XPVBPDLXIGCXDR-UHFFFAOYSA-N,0,1,0.833,48,240,436.796,5.224,4,0.402,0.81,1.0,0.9969930093893496,0.9946713727640326,0.9976183949009664,0.9974299225549996,0.996678174902337
EOS-0-00503,Fc1cccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1F,CHJQEMCAMXPPJW-UHFFFAOYSA-N,0,1,0.697,48,240,420.341,4.71,4,0.439,0.77,1.0,0.9966760331711328,0.9953995613734494,0.9982352134877664,0.9970444109382496,0.9968388047426495
EOS-0-00504,Fc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)cc1Cl,ZICKWWNSHGEFPW-UHFFFAOYSA-N,0,1,0.864,23,86,403.244,4.859,4,0.478,0.83,1.0,0.9773490507847303,0.989839627167432,0.9626910424234117,0.9794650812144473,0.9773362003975054
EOS-0-00505,COc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,NMFLUTLJRZUPHG-UHFFFAOYSA-N,0,1,0.824,48,40,414.387,4.44,4,0.467,0.86,1.0,0.9917500514015489,0.9780429716948804,0.989865327941882,0.9592642724967446,0.979730655883764
EOS-0-00506,COc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1F,XVWJKMUWBSDMSG-UHFFFAOYSA-N,0,1,0.775,23,86,416.815,4.353,4,0.467,0.82,1.0,0.992212665341649,0.9850764169693647,0.9616030429716949,0.947621821670893,0.9716284867384004
EOS-0-00507,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)cc1,BUGWIEYBHWVFBO-UHFFFAOYSA-N,0,1,0.727,48,240,418.35,4.292,4,0.419,0.8,1.0,0.9915187444314989,0.9943029949969159,0.9833116304571311,0.9790795695976973,0.9870532348708108
EOS-0-00508,COc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,MCXILWAQAFANDB-UHFFFAOYSA-N,0,1,0.814,48,396,380.835,4.075,4,0.504,0.88,1.0,0.982489205674731,0.9710694948941128,0.8195976972106093,0.7887310670961551,0.8904718662189021
EOS-0-00509,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OCC(F)(F)F)cc4)n23)cc1F,RXPRHVLOROCRNP-UHFFFAOYSA-N,0,1,0.836,48,40,450.367,4.632,4,0.384,0.79,1.0,0.9900880679871154,0.9925039407854157,0.9942258926735659,0.9861815502707149,0.990749862929203
EOS-0-00510,Fc1cc(F)cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c1,YVAGTUAFSAASRV-UHFFFAOYSA-N,0,1,0.833,23,86,404.779,4.484,4,0.492,0.82,1.0,0.9816325131930642,0.9904136111301487,0.9813069700500309,0.988057706805565,0.9853527002947022
EOS-0-00511,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,YPZMKCZGAYMZRW-UHFFFAOYSA-N,0,1,0.767,48,305,401.348,3.548,4,0.441,0.79,1.0,0.9910047289424988,0.9906277842505654,0.9346172297991913,0.9017031046535535,0.9544882119114524
EOS-0-00512,Clc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1,OQQNRJBXDGBECZ-UHFFFAOYSA-N,0,1,0.736,48,400,351.797,3.461,4,0.551,0.87,1.0,0.9765694606264136,0.9846994722774313,0.5713967514221096,0.6580169282434377,0.797670653142348
EOS-0-00513,COc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1Cl,QLXOZMVTFNIIPB-UHFFFAOYSA-N,0,1,0.786,48,135,380.835,4.075,4,0.504,0.88,1.0,0.982720512644781,0.9785398533342471,0.7980604482215065,0.7649150161058187,0.8810589575765884
EOS-0-00514,COc1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,CTHWNIDCMGNDDJ-UHFFFAOYSA-N,0,1,0.817,48,396,382.37,3.7,4,0.509,0.83,1.0,0.9776488931533137,0.9847080392022479,0.8970598314029196,0.8536597902816805,0.9282691385100404
EOS-0-00515,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3cccc(C(F)(F)F)c3)n12,VIAAPMXJEGPDAA-UHFFFAOYSA-N,0,1,0.843,48,240,436.796,5.224,4,0.402,0.81,1.0,0.9935919402371325,0.9956051675690494,0.9974556233294497,0.997652662600233,0.9960763484339661
EOS-0-00516,FC(F)(F)Oc1ccccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,IBLPLVJZUYBUOD-UHFFFAOYSA-N,0,1,0.662,48,444,420.778,4.922,4,0.458,0.79,1.0,0.9975155918031663,0.9930265231992325,0.9939603180042492,0.9911246658899322,0.993906774724145
EOS-0-00517,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)cc1,RQJRTVGMVSSGTN-UHFFFAOYSA-N,0,1,0.903,83,497,428.442,5.358,5,0.365,0.85,1.0,0.9952624905763827,0.9968302378178329,0.9563258172846275,0.9605578781440615,0.9772441059557262
EOS-0-00518,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1,YWYXHPFWCDXGHH-UHFFFAOYSA-N,0,1,0.8,48,305,383.358,3.409,4,0.487,0.82,1.0,0.9862586525940649,0.9793537111918306,0.8751199369474334,0.8211825783016928,0.9154787197587555
EOS-0-00519,Fc1ccc(F)c(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,JRAZHWULMHWLPU-UHFFFAOYSA-N,0,1,0.773,23,370,386.789,4.344,4,0.512,0.89,1.0,0.9816410801178809,0.9814097731478308,0.9563343842094442,0.9714807072853129,0.9727164861901172
EOS-0-00520,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(Cl)c1,ZKMXLQKHJQSPIR-UHFFFAOYSA-N,0,1,0.824,48,231,410.264,4.591,4,0.481,0.84,1.0,0.9795164827633472,0.9906363511753821,0.9481872387087931,0.9681310396819958,0.9716177780823796
EOS-0-00521,Fc1cc(F)c(-c2nnc3cncc(OCCc4ccccc4)n23)cc1F,FEVXXXJEAAYPER-UHFFFAOYSA-N,0,1,0.783,23,906,370.334,3.83,4,0.501,0.83,1.0,0.9827290795695977,0.9817181824412309,0.95004626139401,0.9517082448084435,0.9665504420533204
EOS-0-00522,Fc1ccc(F)c(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c1,DAGZCPNSAMCPSH-UHFFFAOYSA-N,0,1,0.768,23,86,404.779,4.484,4,0.492,0.83,1.0,0.9844081968336645,0.9877321636625317,0.9813155369748475,0.9883318483996985,0.9854469364676856
EOS-0-00523,O=[N+]([O-])c1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,XBMDWVNBXDISRJ-UHFFFAOYSA-N,0,1,0.809,48,231,379.351,3.46,4,0.376,0.86,1.0,0.9982694811870331,0.9461568775272429,0.6479250908094031,0.4462511137002262,0.7596506408059763
EOS-0-00524,OCc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1F,XSKNNOTYIGLHQL-UHFFFAOYSA-N,0,1,0.786,48,135,364.38,3.044,4,0.569,0.86,1.0,0.9853419916386814,0.9556404632992941,0.8374940031526283,0.8063960660681242,0.8962181310396821
EOS-0-00525,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4F)n23)cc1F,FSTWEHVMZQKTSD-UHFFFAOYSA-N,0,1,0.846,23,86,370.334,3.83,4,0.536,0.8,1.0,0.9765780275512302,0.9833630320060311,0.956908368172161,0.9610376259337948,0.9694717634158043
EOS-0-00526,Oc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,IOXYSRUOBSYCGF-UHFFFAOYSA-N,0,1,0.803,48,135,366.808,3.772,4,0.582,0.8,1.0,0.977357617709547,0.9802789390720307,0.7957388115961894,0.8230930025358097,0.8941170927283942
EOS-0-00527,N#Cc1ccc(CCOc2cncc3nnc(-c4cc(F)cc(F)c4)n23)cc1,HXJZJXDHJQKZNU-UHFFFAOYSA-N,0,1,0.846,48,101,377.354,3.563,4,0.532,0.85,1.0,0.9735110684668631,0.9775203892810637,0.9465423891439929,0.9461311767527928,0.9609262559111781
EOS-0-00528,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cn1,FOMZLYZACDLJBU-UHFFFAOYSA-N,0,1,0.871,48,240,419.794,4.48,4,0.477,0.88,1.0,0.9798420259063807,0.9839712836680146,0.9843310945103145,0.9671115756288123,0.9788139949283805
EOS-0-00529,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)ccc1Cl,CLYKAZPGBGVMNW-UHFFFAOYSA-N,0,1,0.836,23,86,437.689,5.512,4,0.413,0.82,1.0,0.9915273113563156,0.9968388047426496,0.9817010485915976,0.9937975464327325,0.9909661777808239
EOS-0-00530,Fc1ccc(-c2nnc3cncc(OCCc4ccc5ccccc5c4)n23)cc1F,ZPPXLPHWVWPPMU-UHFFFAOYSA-N,0,1,0.778,91,824,402.404,4.844,5,0.422,0.83,1.0,0.9928637516277157,0.9943115619217325,0.9487954903707765,0.9574652182852443,0.9733590055513672
EOS-0-00531,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1OC(F)F,RIIXNUZVOJSQMK-UHFFFAOYSA-N,0,1,0.75,48,240,434.805,4.807,4,0.418,0.8,1.0,0.9906277842505654,0.9965046946747995,0.984939346172298,0.9830546227126311,0.9887816119525734
EOS-0-00532,COc1ccccc1CCOc1cncc2nnc(-c3ccc(F)c(F)c3)n12,BITCDHOQFPVGTB-UHFFFAOYSA-N,0,1,0.764,48,101,382.37,3.7,4,0.509,0.83,1.0,0.9855647316839148,0.9740679185799466,0.8956891234322527,0.8411006785004455,0.92410561304914
EOS-0-00533,Clc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1,LUVJAPLNVHNDRH-UHFFFAOYSA-N,0,1,0.75,90,400,386.242,4.115,4,0.516,0.85,1.0,0.9853505585634981,0.9877407305873483,0.8196062641354259,0.8938815022959359,0.921644763895552
EOS-0-00534,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c(F)c1,HGUKZMQOOZQLLX-UHFFFAOYSA-N,0,1,0.667,48,40,436.34,4.59,4,0.414,0.8,1.0,0.9937547118086492,0.9949626482077993,0.9963419231032828,0.9934805702145157,0.9946349633335618
EOS-0-00535,N#Cc1ccc(CCOc2cncc3nnc(-c4ccccc4F)n23)cc1,MGROGAHJYNEEPU-UHFFFAOYSA-N,0,1,0.862,48,101,359.364,3.424,4,0.546,0.87,1.0,0.9708039202247961,0.9771091768898637,0.8828558700568844,0.8829501062298677,0.928429768350353
EOS-0-00537,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Br)n23)cc1,QHAOLSMTUCLHFT-UHFFFAOYSA-N,0,1,0.891,23,370,464.15,5.482,4,0.393,0.85,1.0,0.9898910287163319,0.9958022068398328,0.9393633061476252,0.9686022205469125,0.9734146905626756
EOS-0-00538,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1,FTWYAVYBASPTKE-UHFFFAOYSA-N,0,1,0.891,23,370,419.699,5.373,4,0.436,0.84,1.0,0.9858131725035981,0.994971215132616,0.9575080529093277,0.9830631896374478,0.9803389075457474
EOS-0-00539,Fc1ccc(-c2nnc3cncc(OCc4ccccc4)n23)c(F)c1,MYTHHPHFBGPYHO-UHFFFAOYSA-N,0,1,0.71,48,906,338.317,3.649,4,0.57,0.9,1.0,0.9779830032211637,0.9682852443286958,0.9211414570625728,0.9311818929477075,0.9496478993900349
EOS-0-00540,Fc1ccc(OCCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,MYDFYBUSSMHIQR-UHFFFAOYSA-N,0,1,0.704,48,40,434.349,4.287,4,0.319,0.82,1.0,0.9979953395928998,0.9918357206497156,0.9905763827016654,0.9763981221300801,0.9892013912685902
EOS-0-00541,Fc1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)c(F)c1,HKPMWKCKVXJVSW-UHFFFAOYSA-N,0,1,0.681,23,370,372.762,4.302,4,0.536,0.89,1.0,0.982206497155781,0.9856418340072648,0.9695188815022959,0.9816924816667809,0.9797649235830307
EOS-0-00542,Fc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4F)n23)cc1F,OYCCLXXCNKFMSJ-UHFFFAOYSA-N,0,1,0.783,23,86,404.779,4.484,4,0.492,0.78,1.0,0.9872267150983483,0.9894455486258653,0.982052292509081,0.987440888218765,0.9865413611130149
EOS-0-00543,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4F)n23)cc1,INJDYGAKYODOHZ-UHFFFAOYSA-N,0,1,0.889,48,906,352.344,3.691,4,0.55,0.93,1.0,0.9630165855664451,0.972303132067713,0.8970683983277363,0.9121547529298882,0.9361357172229456
EOS-0-00544,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,QSKCZERPNNWESJ-UHFFFAOYSA-N,0,1,0.686,90,400,369.787,3.6,4,0.537,0.82,1.0,0.9838513467205812,0.9856504009320814,0.7647436776094853,0.8270166541018436,0.8903155198409978
EOS-0-00545,FC(F)(F)c1ccccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,LSZAKQHRCJIACR-UHFFFAOYSA-N,0,1,0.71,48,17,404.779,5.043,4,0.478,0.85,1.0,0.9959564114865328,0.9935234048385991,0.9968302378178329,0.9962819546295661,0.9956480021931328
EOS-0-00546,Fc1ccc(-c2nnc3cncc(OCc4ccccc4OC(F)(F)F)n23)cc1,AMWQRTRHKULJNU-UHFFFAOYSA-N,0,1,0.662,48,444,404.323,4.408,4,0.461,0.79,1.0,0.9964875608251662,0.9884689191967652,0.9938403810568158,0.9874494551435816,0.9915615790555823
EOS-0-00547,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)c1OC(F)F,HYRQQMIKBRPTMS-UHFFFAOYSA-N,0,1,0.733,48,906,418.35,4.292,4,0.419,0.82,1.0,0.990096634911932,0.9919899252964156,0.9735025015420464,0.9599581934068947,0.9788868137893222
EOS-0-00548,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)cc1,OGUUWSZZZBEMSY-UHFFFAOYSA-N,0,1,0.74,48,240,427.361,4.442,4,0.44,0.75,1.0,0.9959649784113495,0.9922040984168323,0.9968388047426496,0.993163593996299,0.9945428688917826
EOS-0-00549,Fc1ccc(-c2nnc3cncc(OCc4ccccc4C(F)F)n23)cc1,OPUDMLYCNXWQNV-UHFFFAOYSA-N,0,1,0.721,48,17,370.334,4.447,4,0.521,0.88,1.0,0.9911675005140155,0.9850849838941813,0.9839712836680146,0.979730655883764,0.9849886059899939
EOS-0-00550,FC(F)(F)Sc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,CNALVLSJSHOVGG-UHFFFAOYSA-N,0,1,0.851,48,40,416.428,5.025,4,0.413,0.83,1.0,0.9928723185525323,0.979782057432664,0.9836971420738811,0.9661606469741622,0.9806280412583098
EOS-0-00551,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cc1,PNMNWXZRYIQUOM-UHFFFAOYSA-N,0,1,0.903,83,497,444.897,5.872,5,0.328,0.89,1.0,0.9968559385922829,0.9989719690219999,0.9575166198341444,0.9686107874717291,0.9804888287300391
EOS-0-00552,Fc1cc(F)cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,CIIVTWRYBSATBE-UHFFFAOYSA-N,0,1,0.873,23,370,386.789,4.344,4,0.512,0.88,1.0,0.9636077033787952,0.9865327941881982,0.9563429511342608,0.970598314029196,0.9692704406826125
EOS-0-00553,Clc1cccc(CCOc2cncc3nnc(-c4ccc5c(c4)OCO5)n23)c1,ZXGAJUWNDIMCNK-UHFFFAOYSA-N,0,1,0.838,48,396,394.818,3.795,5,0.513,0.86,1.0,0.9877321636625317,0.9167808923308889,0.8105081899801247,0.7908642313755054,0.8764713693372628
EOS-0-00554,Fc1cc(F)c(-c2nnc3cncc(OCCc4ccccc4)n23)cc1Cl,GJLVSYGVHFOZKO-UHFFFAOYSA-N,0,1,0.783,23,906,386.789,4.344,4,0.479,0.84,1.0,0.9835515043519978,0.9839798505928312,0.9500548283188267,0.9622626961825783,0.9699622198615585
EOS-0-00555,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1Cl,AIKIRQZWULNTOX-UHFFFAOYSA-N,0,1,0.836,23,86,437.689,5.512,4,0.413,0.8,1.0,0.9913816736344322,0.997087245562333,0.9817096155164142,0.9939688849290659,0.9910368549105613
EOS-0-00556,FC(F)(F)Oc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cc1,YPADYFZMXCWLIW-UHFFFAOYSA-N,0,1,0.797,48,40,400.36,4.311,4,0.483,0.83,1.0,0.9855732986087314,0.9765694606264136,0.9813241038996642,0.9562572818860942,0.9749310362552259
EOS-0-00557,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)cc1,YOWQRRHVEZASEQ-UHFFFAOYSA-N,0,1,0.877,79,650,426.907,5.733,5,0.347,0.86,1.0,0.9942687272976493,0.9991176067438832,0.9058751970392708,0.9278493591940237,0.9567777225687066
EOS-0-00558,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1C(F)(F)F,XBIMILJFFHCBRY-UHFFFAOYSA-N,0,1,0.794,48,240,436.796,5.224,4,0.402,0.78,1.0,0.9966846000959496,0.995613734493866,0.997626961825783,0.9973099856075663,0.9968088205057912
EOS-0-00559,Fc1ccc(CCOc2cncc3nnc(-c4cc(Cl)ccc4F)n23)cc1F,HZOJVNHQLXFOJO-UHFFFAOYSA-N,0,1,0.768,23,86,404.779,4.484,4,0.492,0.81,1.0,0.9829775203892811,0.9882718799259818,0.9813326708244808,0.9880662737303817,0.9851620862175314
EOS-0-00560,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)ccc1F,VIWNWCYWKXDGIU-UHFFFAOYSA-N,0,1,0.809,48,231,382.37,3.7,4,0.509,0.79,1.0,0.9884260845726818,0.9682938112535124,0.9133883901034885,0.8716760331711328,0.9354460797752039
EOS-0-00561,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1Cl,HMHDPDLMKXWIRA-UHFFFAOYSA-N,0,1,0.889,23,86,454.144,6.026,4,0.37,0.83,1.0,0.9961962853813995,0.9976012610513331,0.9860102117743814,0.9965046946747995,0.9940781132204783
EOS-0-00562,Cc1cccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,FLTVUDRWSBFBIA-UHFFFAOYSA-N,0,1,0.73,48,40,414.387,4.62,4,0.461,0.8,1.0,0.9922212322664656,0.9859245425262148,0.9839798505928312,0.9548351723665273,0.9792401994380098
EOS-0-00563,Cc1ccc(F)c(CCOc2cncc3nnc(-c4ccccc4)n23)c1,XIHYKSXTZBXBBE-UHFFFAOYSA-N,0,1,0.722,48,135,348.381,3.86,4,0.549,0.85,1.0,0.9885802892193818,0.9635991364539784,0.7957473785210061,0.7769858131725036,0.8812281543417175
EOS-0-00564,Fc1cc(F)c(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F,BKZFIPKLVYAOQX-UHFFFAOYSA-N,0,1,0.75,23,86,404.779,4.484,4,0.46,0.81,1.0,0.9910132958673155,0.9916729490781989,0.9810413953807141,0.987158179699815,0.9877214550065109
EOS-0-00565,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,PWWARAWBSMYORD-UHFFFAOYSA-N,0,1,0.833,23,370,388.324,3.969,4,0.486,0.76,1.0,0.9864899595641149,0.9901651703104654,0.976946405318347,0.9819066547871976,0.9838770474950312
EOS-0-00566,Fc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(F)c1,DZBNSMDLGGYVPR-UHFFFAOYSA-N,0,1,0.803,48,254,390.296,4.463,4,0.471,0.82,1.0,0.9769635391679803,0.9892142416558152,0.9907562881228155,0.9895911863477486,0.9866313138235899
EOS-0-00567,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4Cl)n23)cc1,BSDCBKAWWKDOBU-UHFFFAOYSA-N,0,1,0.889,48,906,368.799,4.205,4,0.529,0.92,1.0,0.9603779727229114,0.9802875059968473,0.8981392639298198,0.9326982386402577,0.942875745322459
EOS-0-00568,Clc1ccc(CCOc2cncc3nnc(-c4ccc5ccccc5c4)n23)cc1,CIWBWINNEMQNBL-UHFFFAOYSA-N,0,1,0.843,79,824,400.869,5.219,5,0.406,0.88,1.0,0.9835600712768144,0.9906449181001987,0.8921595504077856,0.930162428894524,0.9491317421698307
EOS-0-00569,Fc1c(Cl)cccc1-c1nnc2cncc(OCCc3ccccc3)n12,OGLZVVHVCRBJQG-UHFFFAOYSA-N,0,1,0.806,48,906,368.799,4.205,4,0.529,0.84,1.0,0.9716349119320129,0.9797906243574807,0.8897608114591187,0.9175090809403057,0.9396738571722296
EOS-0-00570,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ccc2F)cc1,QLTXGTJDLASZPJ-UHFFFAOYSA-N,0,1,0.841,79,497,428.442,5.358,5,0.365,0.81,1.0,0.9973699540812829,0.9959307107120828,0.9488040572955931,0.9555547940511274,0.9744148790350216
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EOS-0-00572,Oc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1F,LOLHJMKFAODPJI-UHFFFAOYSA-N,0,1,0.726,48,231,384.798,3.911,4,0.564,0.78,1.0,0.9832687958330477,0.9865413611130148,0.9088050853265712,0.9207645123706394,0.9498449386608183
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EOS-0-00629,N#Cc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,ORKDQJKWZBBXFJ-UHFFFAOYSA-N,0,1,0.828,48,135,341.374,3.284,4,0.557,0.86,1.0,0.965312521417312,0.9354653553560414,0.7485778904804331,0.7469244739908163,0.8490700603111507
EOS-0-00630,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,TVIDFHFJWGRNGF-UHFFFAOYSA-N,0,1,0.658,48,40,452.795,5.104,4,0.381,0.81,1.0,0.9942772942224659,0.9965132615996162,0.9952710575011994,0.9945086011925159,0.9951425536289493
EOS-0-00631,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,NYNJZHPEPGROCE-UHFFFAOYSA-N,0,1,0.808,23,948,400.36,3.839,4,0.492,0.76,1.0,0.9835857720512645,0.9780601055445137,0.9616116098965115,0.9344715920773079,0.9644322698923994
EOS-0-00632,Fc1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1F,VJEYGBMDFBSSBG-UHFFFAOYSA-N,0,1,0.738,23,254,376.725,4.654,4,0.522,0.85,1.0,0.984425330683298,0.9874494551435816,0.9910646974162155,0.9964018915769995,0.9898353437050237
EOS-0-00633,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cc1,YXQWTBRYIUEROO-UHFFFAOYSA-N,0,1,0.686,90,400,353.332,3.086,4,0.552,0.83,1.0,0.9801847028990474,0.9780686724693304,0.7598862312384347,0.7887396340209718,0.8767198101569461
EOS-0-00634,Fc1ccc(CCOc2cncc3nnc(-c4c(F)cccc4F)n23)cc1,HVXDRSGCOUNXQB-UHFFFAOYSA-N,0,1,0.797,23,906,370.334,3.83,4,0.536,0.89,1.0,0.97511308340758,0.9710866287437462,0.944631964909876,0.9535501336440272,0.9610954526763074
EOS-0-00635,Fc1ccc(CCOc2cncc3nnc(-c4cccc(Br)c4)n23)cc1Cl,JSHHSOHGRUBWIT-UHFFFAOYSA-N,0,1,0.864,23,86,447.695,4.968,4,0.433,0.82,1.0,0.9747618394900966,0.9898481940922487,0.9481958056336097,0.9622798300322116,0.9687714173120416
EOS-0-00636,Fc1ccc(F)c(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,YKWHDOQYVMWTSA-UHFFFAOYSA-N,0,1,0.821,48,254,390.296,4.463,4,0.471,0.83,1.0,0.9730655883763965,0.9889229662120486,0.9909361935439654,0.989968131039682,0.9857232197930231
EOS-0-00637,Fc1ccc(F)c(-c2nnc3cncc(OCCc4ccccc4)n23)c1,DTUMRGFDOBIGBJ-UHFFFAOYSA-N,0,1,0.818,48,906,352.344,3.691,4,0.55,0.85,1.0,0.9630251524912617,0.9611147282571448,0.885237475155918,0.9006493729011035,0.9275066822013569
EOS-0-00638,Fc1c(Cl)cccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,ZPEPJTWQBWJLEI-UHFFFAOYSA-N,0,1,0.765,23,906,403.244,4.859,4,0.478,0.88,1.0,0.985093550818998,0.9847251730518813,0.9585617846617778,0.9772205469124803,0.9764002638612843
EOS-0-00639,Fc1ccc(CCOc2cncc3nnc(-c4cc(F)cc(Cl)c4)n23)cc1,PREJJSYYEDYTFS-UHFFFAOYSA-N,0,1,0.873,23,370,386.789,4.344,4,0.512,0.84,1.0,0.9591015009252278,0.9853419916386814,0.9563600849838941,0.9701528339387293,0.9677391028716332
EOS-0-00640,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1Cl,PZDQCHZLLFSVBA-UHFFFAOYSA-N,0,1,0.808,23,948,416.815,4.353,4,0.467,0.78,1.0,0.9838599136453978,0.9824463710506477,0.9622284284833116,0.9490696319649099,0.9694010862860668
EOS-0-00641,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1,RSHWFTIFURMOBI-UHFFFAOYSA-N,0,1,0.833,23,370,421.234,4.998,4,0.455,0.79,1.0,0.9860016448495648,0.9954166952230827,0.9772890823110136,0.9899766979644986,0.9871710300870399
EOS-0-00642,COc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,OKFLHBAPGCNGDN-UHFFFAOYSA-N,0,1,0.857,48,40,398.369,3.98,4,0.469,0.88,1.0,0.986952573504215,0.9369560002741416,0.9552378178329107,0.892510794325269,0.9429142964841342
EOS-0-00643,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cc1,QLTQQRDHEGHSIF-UHFFFAOYSA-N,0,1,0.776,23,86,388.324,3.969,4,0.384,0.78,1.0,0.9917671852511822,0.9908162565965322,0.9807586868617642,0.9817010485915976,0.986260794325269
EOS-0-00644,CC(Oc1cncc2nnc(-c3ccc(F)cc3)n12)c1ccccc1F,BSIYZZQJJNXXQU-UHFFFAOYSA-N,0,1,0.639,48,17,352.344,4.21,4,0.552,0.8,1.0,0.9869611404290316,0.9833801658556645,0.9723973682406963,0.967120142553629,0.9774647042697553
EOS-0-00645,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(OC(F)F)cc3F)n12,YKJDMWUSHVFOMQ-UHFFFAOYSA-N,0,1,0.697,48,906,418.35,4.292,4,0.419,0.81,1.0,0.9892913439791653,0.9930350901240491,0.9817181824412309,0.9776574600781304,0.9854255191556439
EOS-0-00646,Fc1ccc(Cl)c(-c2nnc3cncc(OCCc4ccccc4)n23)c1,ZUWYOWYCPAGYSK-UHFFFAOYSA-N,0,1,0.818,48,906,368.799,4.205,4,0.529,0.84,1.0,0.9610890274826948,0.9745562332944966,0.8852460420807347,0.9207730792954562,0.9354160955383455
EOS-0-00647,Fc1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)c(F)c1,VHZVFMMPJKXIMH-UHFFFAOYSA-N,0,1,0.794,23,370,421.234,4.998,4,0.455,0.76,1.0,0.9904136111301487,0.9935319717634158,0.9748046741141799,0.9893513124528819,0.9870253923651565
EOS-0-00648,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4F)n23)cc1F,QQHDGHATKUWXLA-UHFFFAOYSA-N,0,1,0.74,23,240,454.33,4.729,4,0.395,0.76,1.0,0.992238366116099,0.9946799396888493,0.9982437804125831,0.997498457953533,0.9956651360427661
EOS-0-00649,Clc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)cc1,HAYGIAKPHZVPOO-UHFFFAOYSA-N,0,1,0.906,48,231,385.254,4.72,4,0.499,0.9,1.0,0.9515883078610102,0.9844167637584813,0.9097902816804879,0.9509629223493935,0.9491895689123432
EOS-0-00650,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1OC(F)F,ZEWNESHCWJJMSN-UHFFFAOYSA-N,0,1,0.704,48,396,430.386,4.162,4,0.418,0.84,1.0,0.9939688849290659,0.9830717565622644,0.9575337536837777,0.9086680145295045,0.9608106024261531
EOS-0-00651,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,OERSUJZNPYIRCD-UHFFFAOYSA-N,0,1,0.686,90,400,386.242,4.115,4,0.516,0.82,1.0,0.980193269823864,0.9874580220683983,0.767125282708519,0.8621239120005483,0.8992251216503324
EOS-0-00652,Fc1cc(F)cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1,BUIJIWGSOMOPDY-UHFFFAOYSA-N,0,1,0.833,23,86,388.324,3.969,4,0.486,0.77,1.0,0.9773661846343636,0.984733739976698,0.9810585292303474,0.9837314097731479,0.9817224659036393
EOS-0-00653,Fc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,WCFMZGFQRHLNEG-UHFFFAOYSA-N,0,1,1.0,48,254,372.306,4.324,4,0.522,0.85,1.0,0.8963659104927695,0.9771177438146803,0.9804588444931808,0.9759869097388801,0.9574823521348776
EOS-0-00654,FCCOc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,LGMTUQISJXRNOA-UHFFFAOYSA-N,0,1,0.836,48,948,447.297,5.068,4,0.378,0.83,1.0,0.9869697073538483,0.9884774861215818,0.9307621136316908,0.9301709958193407,0.9590950757316153
EOS-0-00655,Clc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1,UDVLBAWZCRUXAJ-UHFFFAOYSA-N,0,1,0.892,23,370,419.699,5.373,4,0.436,0.85,1.0,0.9779915701459804,0.9945514358165993,0.9538071413885272,0.982514906449181,0.977216263450072
EOS-0-00656,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(OC(F)(F)F)c4)n23)cc1,YGTSPPDVSRMTIA-UHFFFAOYSA-N,0,1,0.775,48,240,452.795,5.104,4,0.381,0.78,1.0,0.9931892947707491,0.9968473716674663,0.9962562538551162,0.9950568843807827,0.9953374511685286
EOS-0-00657,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(OC(F)(F)F)c4)n23)cc1,HLOKIBRDBKOCQI-UHFFFAOYSA-N,0,1,0.775,48,240,436.34,4.59,4,0.414,0.74,1.0,0.9913902405592488,0.9939774518538825,0.9961277499828661,0.9930522239736824,0.9936369165924199
EOS-0-00658,Oc1cc(F)ccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12,QCEBBUULKQYKAH-UHFFFAOYSA-N,0,1,0.775,23,86,386.333,3.536,4,0.568,0.72,1.0,0.9792337742443973,0.9717719827290796,0.9525306695908436,0.9483328764306764,0.9629673257487492
EOS-0-00659,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,GGLIIPBKZTTZCI-UHFFFAOYSA-N,0,1,0.797,90,281,369.787,3.6,4,0.537,0.88,1.0,0.9694417791789459,0.9810756630799808,0.8082636556781577,0.852049208416147,0.9027075765883079
EOS-0-00660,Fc1ccc(-c2nnc3cncc(OC4Cc5ccccc5C4)n23)cc1Cl,RWFBQSKOBLRLQG-UHFFFAOYSA-N,0,1,0.69,48,101,380.81,4.13,5,0.536,0.79,1.0,0.9835943389760812,0.9865584949626482,0.945300185045576,0.9640960180933452,0.9698872592694125
EOS-0-00661,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(F)c1Cl,UYSWRXSYXOJAFL-UHFFFAOYSA-N,0,1,0.776,23,86,421.234,4.998,4,0.426,0.79,1.0,0.992392570762799,0.9920156260708656,0.9810670961551642,0.990199438009732,0.9889186827496402
EOS-0-00662,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1,NUCSGKJOWACSIF-UHFFFAOYSA-N,0,1,0.821,48,40,479.256,5.074,4,0.387,0.87,1.0,0.9915444452059489,0.9916815160030156,0.9903108080323487,0.9787882941539305,0.988081265848811
EOS-0-00663,Fc1ccc(CCOc2cncc3nnc(-c4cc(F)c(F)cc4Cl)n23)cc1,FYFPLOPSABYDCR-UHFFFAOYSA-N,0,1,0.75,23,86,404.779,4.484,4,0.46,0.82,1.0,0.987492289767665,0.9889315331368652,0.9807672537865808,0.9869268727297649,0.986029487355219
EOS-0-00664,Fc1cccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1,XWXFEBNXTQYVNS-UHFFFAOYSA-N,0,1,0.906,48,231,368.799,4.205,4,0.529,0.89,1.0,0.9340175450620245,0.9847423069015147,0.9014803646083202,0.9344801590021246,0.9386800938934959
EOS-0-00665,Cc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1OC(F)F,LPDVTKIYENHIIJ-UHFFFAOYSA-N,0,1,0.817,48,135,396.397,4.323,4,0.466,0.82,1.0,0.9829860873140978,0.9661692138989788,0.9211585909122062,0.8668271537248989,0.9342852614625453
EOS-0-00666,Fc1cccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)c1,AVHQSSFDOZPOQE-UHFFFAOYSA-N,0,1,0.906,48,231,413.25,4.314,4,0.489,0.88,1.0,0.9568741004728942,0.9797991912822973,0.8788808169419505,0.8938900692207525,0.9273610444794737
EOS-0-00667,Fc1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)cc1Cl,ZBCCUGLPAULULN-UHFFFAOYSA-N,0,1,0.791,23,86,437.689,5.512,4,0.413,0.8,1.0,0.9944657665684326,0.9951339867041327,0.9796878212596807,0.9936519087108492,0.9907348708107738
EOS-0-00668,Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,PCIDNZLJDWXRAJ-UHFFFAOYSA-N,0,1,0.85,48,135,332.363,3.118,4,0.608,0.83,1.0,0.9769721060927969,0.8996556096223699,0.5903296552669454,0.5650829278322254,0.7580100747035843
EOS-0-00669,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,ADOZWNVRDWHGLY-UHFFFAOYSA-N,0,1,0.873,48,231,379.351,3.46,4,0.376,0.86,1.0,0.9959735453361661,0.9018915769995203,0.6508121444726201,0.43673326022890824,0.7463526317593037
EOS-0-00670,Fc1ccc(-c2nnc3cncc(OCC4CCCCC4)n23)cc1,LFYAANLSXNTGJT-UHFFFAOYSA-N,0,1,0.731,78,548,326.375,3.89,4,0.73,0.89,1.0,0.9699129600438626,0.9565828250291275,0.01978102940168597,0.31604242341169214,0.5655798094715921
EOS-0-00671,Fc1ccc(CCOc2cncc3nnc(-c4cccc(Br)c4)n23)cc1,CMZJQJUSIOPFEM-UHFFFAOYSA-N,0,1,0.906,48,231,413.25,4.314,4,0.489,0.88,1.0,0.9568826673977109,0.9793794119662805,0.8775700774450004,0.8925193612500857,0.9265878795147695
EOS-0-00672,Fc1cccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,GJVDXDUYSFQRDY-UHFFFAOYSA-N,0,1,0.846,48,444,390.296,4.621,4,0.476,0.84,1.0,0.9554434240285107,0.984425330683298,0.9954081282982661,0.992675279281749,0.981988040572956
EOS-0-00673,Fc1cccc(CCOc2cncc3nnc(-c4cccc(F)c4F)n23)c1,DTGNUSJUCZRQFA-UHFFFAOYSA-N,0,1,0.712,23,906,370.334,3.83,4,0.536,0.83,1.0,0.9751216503323967,0.9807329860873141,0.9531903228017271,0.9592728394215613,0.9670794496607498
EOS-0-00674,FC(F)(Cl)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,CHLCXDAHTHQSAA-UHFFFAOYSA-N,0,1,0.821,48,40,451.26,5.234,4,0.36,0.84,1.0,0.9930265231992325,0.9935405386882324,0.9924611061613323,0.9904221780549654,0.9923625865259407
EOS-0-00675,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(F)c1,SHBQHPWONZFZNI-UHFFFAOYSA-N,0,1,0.754,48,231,398.825,4.214,4,0.486,0.84,1.0,0.9824977725995476,0.9814354739222808,0.907879857446371,0.8897950791583853,0.9404020457816462
EOS-0-00676,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1F,LNQKFWBHOKJZRY-UHFFFAOYSA-N,0,1,0.794,90,281,353.332,3.086,4,0.552,0.84,1.0,0.9776574600781304,0.9636077033787952,0.8406294976355287,0.8391816873415119,0.9052690871084916
EOS-0-00677,Fc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(OC(F)F)c4)n23)c1,DMRPQXVYVQOUFA-UHFFFAOYSA-N,0,1,0.701,48,240,418.35,4.292,4,0.419,0.8,1.0,0.9879634706325817,0.987466588993215,0.9822407648550476,0.9787968610787472,0.9841169213898979
EOS-0-00678,FC(F)(F)Oc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,YSGOBKDXIMMCLE-UHFFFAOYSA-N,0,1,0.761,48,40,400.36,4.311,4,0.483,0.89,1.0,0.9785998218079638,0.9710951956685628,0.9799705297786306,0.9555633609759441,0.9713072270577753
EOS-0-00679,Fc1c(OC(F)F)ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1F,QCONPFZERCZYHA-UHFFFAOYSA-N,0,1,0.724,48,40,418.35,4.292,4,0.419,0.81,1.0,0.9855904324583648,0.9906534850250154,0.9782571448152971,0.9676255911178123,0.9805316633541225
EOS-0-00680,COc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1OC,OQFRLPSGHJNPOE-UHFFFAOYSA-N,0,1,0.794,48,396,394.406,3.569,4,0.477,0.84,1.0,0.987235282023165,0.9750188472345966,0.7957559454458227,0.6084487012541978,0.8416146939894456
EOS-0-00681,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nc1,BRBUUMGDKWKVIK-UHFFFAOYSA-N,0,1,0.671,90,400,387.777,3.739,4,0.522,0.84,1.0,0.9813069700500309,0.9863186210677816,0.8921681173326023,0.9164553491878555,0.9440622644095675
EOS-0-00682,Fc1cc(F)cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1,ZZXFYNIUHFBKTA-UHFFFAOYSA-N,0,1,0.875,23,370,386.789,4.344,4,0.512,0.87,1.0,0.9483500102803097,0.9830803234870811,0.9525392365156603,0.9696987869234459,0.9634170893016243
EOS-0-00683,Fc1ccccc1CCOc1cncc2nnc(-c3cccc(Cl)c3)n12,RNYFHIBIMOZPHE-UHFFFAOYSA-N,0,1,0.824,48,906,368.799,4.205,4,0.529,0.87,1.0,0.9458484682338428,0.9836457405249811,0.9003066959084367,0.9327239394147077,0.9406312110204921
EOS-0-00684,Cc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,XIIPVXXVNGKIJJ-UHFFFAOYSA-N,0,1,0.806,48,135,364.836,4.375,4,0.527,0.87,1.0,0.9610975944075115,0.978077239394147,0.771768555959153,0.8064046329929409,0.8793370056884381
EOS-0-00685,Cc1cccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c1,ADJXUCHUAIZGBU-UHFFFAOYSA-N,0,1,0.818,48,231,348.381,3.86,4,0.549,0.89,1.0,0.9703755739839627,0.9505517099581934,0.8179014460969091,0.79997943938044,0.8847020423548763
EOS-0-00686,Cc1c(-c2nnc3cncc(OCCc4ccccc4)n23)ccc(F)c1Cl,FTOIFXNOHPRCLK-UHFFFAOYSA-N,0,1,0.757,48,906,382.826,4.514,4,0.509,0.87,1.0,0.9757470358440135,0.9703755739839627,0.8897693783839353,0.9017116715783702,0.9344009149475705
EOS-0-00687,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c(F)c1,APMCJGHCZIOWON-UHFFFAOYSA-N,0,1,0.826,79,650,428.442,5.358,5,0.365,0.82,1.0,0.9933520663422658,0.9954252621478994,0.947544719347543,0.9509714892742102,0.9718233842779795
EOS-0-00688,Fc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4F)n23)c1,DKTCLCCYFTZUKW-UHFFFAOYSA-N,0,1,0.736,23,86,404.779,4.484,4,0.46,0.78,1.0,0.9855989993831814,0.9914330751833322,0.9789767664998972,0.9856247001576314,0.9854083853060106
EOS-0-00689,CC(COc1cncc2nnc(-c3ccc(OC(F)(F)C(F)F)cc3)n12)c1ccccc1,SSZHQNPYAUOHTF-UHFFFAOYSA-N,0,1,0.814,48,40,446.404,5.211,4,0.348,0.72,1.0,0.9979353711191831,0.989685422520732,0.9965303954492495,0.989608320197382,0.9934398773216366
EOS-0-00691,Fc1c(Cl)ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)c1F,RGDHWXRMTKHFRA-UHFFFAOYSA-N,0,1,0.776,23,86,465.685,5.107,4,0.385,0.79,1.0,0.9919899252964156,0.9951425536289493,0.9752501542046467,0.9804417106435473,0.9857060859433898
EOS-0-00692,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,UJTZYKOHNIWDNM-UHFFFAOYSA-N,0,1,0.701,48,40,452.795,5.104,4,0.381,0.78,1.0,0.9910218627921321,0.9958107737646494,0.9959135768624494,0.9948855458844493,0.9944079398259201
EOS-0-00693,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ncccn5)cc4)n23)cc1,OLEDVAYKLKVEKL-UHFFFAOYSA-N,0,1,0.809,91,660,412.428,4.009,5,0.419,0.84,1.0,0.9884346514974984,0.9844338976081146,0.7025135357412103,0.6814731683914742,0.8392138133095743
EOS-0-00694,COc1ccccc1CCOc1cncc2nnc(-c3ccc(F)cc3F)n12,QWBOZKOEVUTWDJ-UHFFFAOYSA-N,0,1,0.767,48,906,382.37,3.7,4,0.509,0.83,1.0,0.9757556027688301,0.9696987869234459,0.8737749297512165,0.8231015694606264,0.9105827222260298
EOS-0-00695,Fc1ccc(-c2nnc3cncc(OCc4ccccc4F)n23)c(F)c1,KIZGPNUFUGGLDJ-UHFFFAOYSA-N,0,1,0.667,23,17,356.307,3.788,4,0.558,0.87,1.0,0.978000137070797,0.9785484202590639,0.9695274484271126,0.9751473511068467,0.975305839215955
EOS-0-00696,Cc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccccc3)n12,IYSHWNIDEAIKCM-UHFFFAOYSA-N,0,1,0.757,48,135,364.836,4.375,4,0.527,0.85,1.0,0.9773747515591803,0.9711037625933795,0.7854328010417381,0.8084949626482077,0.8856015694606264
EOS-0-00697,Oc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1F,ZEWZSNZIYYJWDW-UHFFFAOYSA-N,0,1,0.767,48,231,384.798,3.911,4,0.564,0.82,1.0,0.9747704064149133,0.9821807963813309,0.9069974641902543,0.9187084504146391,0.9456642793502844
EOS-0-00698,Fc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4Cl)n23)cc1,UQBOREVEQDHVRW-UHFFFAOYSA-N,0,1,0.765,23,906,403.244,4.859,4,0.478,0.9,1.0,0.9804931121924474,0.9821893633061476,0.9580563360975944,0.9772291138372969,0.9744919813583716
EOS-0-00699,Fc1ccc(COc2cncc3nnc(-c4cccc(F)c4F)n23)cc1,OICVUGDQWLZVGC-UHFFFAOYSA-N,0,1,0.691,23,17,356.307,3.788,4,0.558,0.88,1.0,0.972662942910013,0.9653039544924954,0.972405935165513,0.9755928311973134,0.9714914159413337
EOS-0-00700,Fc1cc(F)cc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,VUTXZBDEBINTAM-UHFFFAOYSA-N,0,1,0.71,48,444,408.286,4.76,4,0.456,0.83,1.0,0.984733739976698,0.9884860530463985,0.9980553080666164,0.9975070248783496,0.9921955314920157
EOS-0-00701,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1OC(F)(F)F,XHVCWSUVLLMMJM-UHFFFAOYSA-N,0,1,0.775,48,240,452.795,5.104,4,0.381,0.76,1.0,0.9927352477554657,0.9960677815091494,0.9962648207799328,0.994894112809266,0.9949904907134535
EOS-0-00702,CC(C)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,IGGIPYRITXHAAD-UHFFFAOYSA-N,0,1,0.879,48,948,394.425,4.814,4,0.471,0.74,1.0,0.9832773627578645,0.9760554451374135,0.9580649030224111,0.9187170173394559,0.9590286820642864
EOS-0-00703,Fc1ccc(CCOc2cncc3nnc(-c4cc(F)c(F)c(Cl)c4)n23)cc1F,CHWMMKMAZRAVFS-UHFFFAOYSA-N,0,1,0.818,23,627,422.769,4.623,4,0.348,0.75,1.0,0.9936090740867658,0.9932492632444657,0.9923326022890823,0.9954509629223494,0.9936604756356658
EOS-0-00704,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)c1,JENQXOHZFNYFDC-UHFFFAOYSA-N,0,1,0.736,48,240,436.796,5.224,4,0.402,0.84,1.0,0.9925810431087657,0.9949797820574326,0.9973870879309163,0.9972328832842163,0.9955451990953327
EOS-0-00705,Fc1cc(OC(F)F)cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1,RZFPCJFTWCFFHH-UHFFFAOYSA-N,0,1,0.701,48,240,434.805,4.807,4,0.418,0.75,1.0,0.9898995956411486,0.9910646974162155,0.9825577410732643,0.9837399766979645,0.9868155027071482
EOS-0-00706,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,ZOUNQNGMXDCYGY-UHFFFAOYSA-N,0,1,0.873,48,231,395.806,3.974,4,0.362,0.84,1.0,0.9953909944486328,0.932458364745391,0.6508207113974368,0.4892827770543486,0.7669882119114523
EOS-0-00707,Clc1ccc(-c2nnc3cncc(OCCc4c[nH]c5ccccc45)n23)cc1,UCEDKKRYXDTSBL-UHFFFAOYSA-N,0,1,0.642,48,231,389.846,4.548,5,0.479,0.88,1.0,0.9838684805702145,0.9896939894455486,0.8125471180864917,0.8716846000959496,0.914448547049551
EOS-0-00708,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F,MVCZPPKLMYFKOC-UHFFFAOYSA-N,0,1,0.783,48,396,398.825,4.214,4,0.486,0.82,1.0,0.9782828455897471,0.9760640120622301,0.9133969570283051,0.8911315194297855,0.939718833527517
EOS-0-00709,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)ccc1Cl,XWKWRZWGTARIFH-UHFFFAOYSA-N,0,1,0.768,23,627,422.769,4.623,4,0.348,0.76,1.0,0.9927438146802824,0.9939860187786992,0.9916129806044822,0.9949026797340826,0.9933113734493866
EOS-0-00710,Fc1ccc(CCOc2cncc3nnc(-c4c(F)cccc4F)n23)cc1F,GKOMLAXOOBURGS-UHFFFAOYSA-N,0,1,0.803,23,86,388.324,3.969,4,0.486,0.79,1.0,0.979859159756014,0.9775460900555136,0.9766893975738469,0.9804502775683641,0.9786362312384347
EOS-0-00711,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,RBWAMKMVERKWII-UHFFFAOYSA-N,0,1,0.662,48,400,369.787,3.6,4,0.503,0.86,1.0,0.9795336166129806,0.9827804811184977,0.7309300253580975,0.8042714687135906,0.8743788979507916
EOS-0-00712,CC(Oc1cncc2nnc(-c3ccc(F)c(F)c3)n12)c1ccc(F)cc1,GOMSUBQTFITLQC-UHFFFAOYSA-N,0,1,0.676,23,86,370.334,4.349,4,0.536,0.84,1.0,0.9816496470426975,0.9824549379754643,0.9896939894455486,0.9888629977383319,0.9856653930505106
EOS-0-00713,Fc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1Cl,FMDKIZAQCCDCHM-UHFFFAOYSA-N,0,1,0.703,90,400,369.787,3.6,4,0.537,0.83,1.0,0.9730741553012131,0.9821979302309642,0.7762490576382701,0.8211911452265095,0.8881780720992392
EOS-0-00714,Fc1ccc(CCOc2cncc3nnc(-c4c(F)cccc4Cl)n23)cc1,MHJPPZQFCGTYTE-UHFFFAOYSA-N,0,1,0.797,23,906,386.789,4.344,4,0.512,0.88,1.0,0.9730827222260298,0.9745648002193132,0.9453087519703927,0.9646614351312452,0.9644044273867451
EOS-0-00715,Cc1cc(F)ccc1-c1nnc2cncc(OCCc3ccc(F)cc3)n12,BESJLDNGZXMRIM-UHFFFAOYSA-N,0,1,0.815,48,231,366.371,3.999,4,0.536,0.85,1.0,0.9684394489753958,0.9644215612363786,0.9037163319854705,0.8993214995545199,0.9339747104379412
EOS-0-00716,Fc1cc(CCOc2cncc3nnc(-c4ccccc4Cl)n23)ccc1Cl,SNAQKZITNJMWBI-UHFFFAOYSA-N,0,1,0.846,23,86,403.244,4.859,4,0.478,0.87,1.0,0.9726715098348296,0.982206497155781,0.9580734699472278,0.977666027002947,0.9726543759851963
EOS-0-00717,Fc1ccc(-c2nnc3cncc(OCCCc4ccc(OC(F)(F)F)cc4)n23)cc1,LGAFXVUXGBJBPG-UHFFFAOYSA-N,0,1,0.679,48,40,432.377,4.841,4,0.309,0.86,1.0,0.9964961277499829,0.9918442875745322,0.9867726680830649,0.9747618394900966,0.9874687307244191
EOS-0-00718,FC(F)(F)c1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,MKLLDXRZXNLHNC-UHFFFAOYSA-N,0,1,0.823,48,135,384.361,4.432,4,0.511,0.87,1.0,0.9769806730176136,0.9683023781783291,0.9886145569186485,0.9739394147076965,0.976959255705572
EOS-0-00719,CCCOc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,XOBDKXDEQDRMML-UHFFFAOYSA-N,0,1,0.85,68,305,320.299,3.182,3,0.698,0.88,1.0,0.9393376053731752,0.8873106709615517,0.8125556850113084,0.7338085120964979,0.8432531183606333
EOS-0-00720,FC(F)(F)Oc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1Cl,WYIMDAPIDFWDHW-UHFFFAOYSA-N,0,1,0.761,48,240,469.25,5.618,4,0.367,0.79,1.0,0.9937632787334658,0.997729764923583,0.9962733877047495,0.9964104585018162,0.9960442224659036
EOS-0-00721,Fc1ccc(CCOc2cncc3nnc(-c4c(F)cccc4Cl)n23)cc1F,AZTMPGQIGXYOCJ-UHFFFAOYSA-N,0,1,0.803,23,86,404.779,4.484,4,0.492,0.77,1.0,0.9795421835377973,0.9827890480433144,0.9766979644986635,0.9850764169693647,0.981026403262285
EOS-0-00722,Clc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccccc4)n23)c1,QRJHIYIACGRGHL-UHFFFAOYSA-N,0,1,0.803,48,135,385.254,4.72,4,0.499,0.83,1.0,0.9712665341648962,0.9775546569803304,0.8885443081351518,0.9344887259269412,0.9429635563018298
EOS-0-00723,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4Cl)n23)cc1,AHQDLJUQNVEOPE-UHFFFAOYSA-N,0,1,0.891,23,370,464.15,5.482,4,0.393,0.83,1.0,0.9851021177438147,0.9910732643410322,0.9428243437735591,0.9701614008635461,0.9722902816804879
EOS-0-00724,FCCOc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,SJFRCKOLJGBJIE-UHFFFAOYSA-N,0,1,0.787,68,305,342.252,3.038,3,0.667,0.84,1.0,0.9591100678500446,0.9149047357960387,0.9839969844424645,0.9574823521348776,0.9538735350558563
EOS-0-00725,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1Cl,NIWRWMCVWRBZTH-UHFFFAOYSA-N,0,1,0.783,48,396,398.825,4.214,4,0.486,0.84,1.0,0.9757641696936468,0.9750274141594133,0.9134055239531218,0.8925279281749023,0.939181258995271
EOS-0-00726,Fc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(F)c4)n23)c1,YAFDXILOCVHQMQ-UHFFFAOYSA-N,0,1,0.875,23,370,370.334,3.83,4,0.536,0.87,1.0,0.9431755876910424,0.9745733671441299,0.9512541977931601,0.959975327256528,0.9572446199712151
EOS-0-00727,Fc1ccc(F)c(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1F,PYLKAOSVMNRTHK-UHFFFAOYSA-N,0,1,0.761,23,370,404.779,4.484,4,0.46,0.78,1.0,0.9866784319100815,0.9840055513672812,0.9762182167089302,0.9837485436227812,0.9826626859022686
EOS-0-00728,Fc1ccc(F)c(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1,KIYCFYYPPVLORL-UHFFFAOYSA-N,0,1,0.732,23,370,386.789,4.344,4,0.512,0.92,1.0,0.9722688643684463,0.9803046398464808,0.952547803440477,0.9701699677883627,0.9688228188609417
EOS-0-00729,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cc1F,PPGSWVJUQSEWHV-UHFFFAOYSA-N,0,1,0.768,23,627,406.314,4.108,4,0.37,0.75,1.0,0.9902936741827154,0.9910818312658488,0.9914330751833322,0.9928723185525323,0.9914202247961073
EOS-0-00730,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)c(F)c4)n23)cc1F,MNFDWTKRYLUYFZ-UHFFFAOYSA-N,0,1,0.776,23,240,454.33,4.729,4,0.395,0.76,1.0,0.9872438489479817,0.992855184702899,0.9983894181344665,0.997318552532383,0.9939517510794326
EOS-0-00731,Oc1cccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1,WYXRYZATAULWGZ-UHFFFAOYSA-N,0,1,0.853,48,948,368.343,3.397,4,0.585,0.76,1.0,0.9726800767596464,0.9439808786238092,0.9078884243711877,0.892536495099719,0.9292714687135906
EOS-0-00732,Fc1ccc(Cl)cc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,VPXWUSUGWCLZDD-UHFFFAOYSA-N,0,1,0.773,23,370,403.244,4.859,4,0.478,0.86,1.0,0.979550750462614,0.9803132067712974,0.9569169350969776,0.9780429716948804,0.9737059660064423
EOS-0-00733,Fc1cccc(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)c1,WEJGJNCMWUABFI-UHFFFAOYSA-N,0,1,0.906,48,231,368.799,4.205,4,0.529,0.85,1.0,0.9282777054348571,0.9840141182920978,0.9014889315331369,0.934497292851758,0.9370695120279624
EOS-0-00734,COc1ccc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)cc1,DOHRFEWOKYMDJH-UHFFFAOYSA-N,0,1,0.671,48,17,368.343,3.657,4,0.538,0.83,1.0,0.9853591254883147,0.9584332807895278,0.9322099239257077,0.8925450620245357,0.9421368480570216
EOS-0-00735,Fc1ccc(CCOc2cncc3nnc(-c4ccc5ccccc5c4)n23)cc1F,ZSLNOPLSMMCQLS-UHFFFAOYSA-N,0,1,0.806,91,824,402.404,4.844,5,0.422,0.77,1.0,0.9879720375573984,0.9856761017065314,0.9488126242204098,0.9574909190596943,0.9699879206360085
EOS-0-00736,CCc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cc1,UUTZJBKBRUIQSB-UHFFFAOYSA-N,0,1,0.895,48,576,344.418,3.975,4,0.531,0.88,1.0,0.9716434788568296,0.9222294565142897,0.6267562195874169,0.5455246384757727,0.7665384483585772
EOS-0-00737,Cc1cc(Cl)cc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c1,FHJRAUNVZDUOSI-UHFFFAOYSA-N,0,1,0.803,48,231,382.826,4.514,4,0.509,0.9,1.0,0.9673942841477623,0.9740850524295799,0.9117349736138716,0.9248423685833733,0.9445141696936468
EOS-0-00739,Oc1cc(F)ccc1-c1nnc2cncc(OCCc3ccc(F)cc3)n12,VZVZYBSGRZNYCX-UHFFFAOYSA-N,0,1,0.779,48,231,368.343,3.397,4,0.585,0.8,1.0,0.9726886436844631,0.9439894455486258,0.8908488109108355,0.8885100404358851,0.9240092351449524
EOS-0-00740,OCC(COc1cncc2nnc(-c3ccc(OCF)c(F)c3)n12)c1ccc(F)cc1,RVGFSENMGKMXCK-UHFFFAOYSA-N,0,1,0.675,48,231,430.386,3.53,4,0.461,0.65,1.0,0.989299910903982,0.9963590569529162,0.9752587211294633,0.9622883969570283,0.9808015214858474
EOS-0-00741,Fc1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1,NQQWUGHVJAGOPZ-UHFFFAOYSA-N,0,1,0.676,90,400,353.332,3.086,4,0.552,0.83,1.0,0.9730912891508464,0.9760725789870468,0.764752244534302,0.7999880063052567,0.878476029744363
EOS-0-00742,Fc1ccc(CCOc2cncc3nnc(-c4cc(Cl)cc(Cl)c4)n23)cc1,HXOVZNPMBWJQBX-UHFFFAOYSA-N,0,1,0.873,23,370,403.244,4.859,4,0.478,0.88,1.0,0.9591186347748613,0.9859331094510314,0.9563686519087109,0.9768436022205469,0.9695659995887876
EOS-0-00743,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4Cl)n23)cc1Cl,ACHCDFVDRRKQCQ-UHFFFAOYSA-N,0,1,0.846,23,86,403.244,4.859,4,0.478,0.85,1.0,0.9722774312932629,0.982463504900281,0.9580820368720444,0.9776745939277637,0.972624391748338
EOS-0-00744,CC(C)Oc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,CYNAXLMFMMOHPZ-UHFFFAOYSA-N,0,1,0.726,48,396,392.434,4.339,4,0.468,0.84,1.0,0.9853676924131314,0.97503598108423,0.8625522582413817,0.767382290453019,0.8975845555479405
EOS-0-00745,Cc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1F,QSDCFVIAZVMKRQ-UHFFFAOYSA-N,0,1,0.746,48,231,366.371,3.999,4,0.536,0.89,1.0,0.9722859982180796,0.9697073538482627,0.9211671578370229,0.912163319854705,0.9438309574395176
EOS-0-00746,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2F)cc1,UYXSKLVTJVFWCD-UHFFFAOYSA-N,0,1,0.826,79,497,428.442,5.358,5,0.365,0.83,1.0,0.9917757521759989,0.994560002741416,0.9475532862723597,0.9535587005688438,0.9718619354396546
EOS-0-00747,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4Cl)n23)cc1,MHWFIQOXLYREAK-UHFFFAOYSA-N,0,1,0.776,23,86,421.234,4.998,4,0.426,0.82,1.0,0.9893084778287986,0.9886916592419985,0.9807758207113975,0.9902080049345487,0.9872459906791858
EOS-0-00748,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)c(F)c4F)n23)cc1F,IUGWHXIINYEOGN-UHFFFAOYSA-N,0,1,0.756,23,627,454.33,4.571,4,0.383,0.71,1.0,0.9915530121307655,0.9938575149064491,0.9954166952230827,0.9953138921252828,0.9940352785963951
EOS-0-00749,Fc1ccc(Cl)c(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,QHRYZNNRXDPQRY-UHFFFAOYSA-N,0,1,0.773,23,370,403.244,4.859,4,0.478,0.91,1.0,0.9754214927009801,0.9765865944760469,0.9569255020217943,0.9780515386196971,0.9717462819546296
EOS-0-00750,Fc1cc(Cl)cc(-c2nnc3cncc(OCCc4ccccc4)n23)c1F,VTBNVUYSRFVCRH-UHFFFAOYSA-N,0,1,0.794,23,906,386.789,4.344,4,0.479,0.84,1.0,0.9735282023164965,0.9765951614008636,0.9453173188952094,0.9580477691727778,0.9633721129463368
EOS-0-00751,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c(Cl)c1,VCGQLWQLLDYGRT-UHFFFAOYSA-N,0,1,0.754,48,231,398.825,4.214,4,0.486,0.86,1.0,0.9782914125145638,0.977563223905147,0.9070060311150709,0.8925536289493523,0.9388535741210335
EOS-0-00752,Fc1cccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,ZEQWGUWTXQAVKR-UHFFFAOYSA-N,0,1,0.824,48,906,352.344,3.691,4,0.55,0.89,1.0,0.9373158111164417,0.9703841409087793,0.8991501610581866,0.9142108148858885,0.9302652319923239
EOS-0-00753,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnc5)cc4)n23)cc1,SBXHJJAEUKJUCT-UHFFFAOYSA-N,0,1,0.797,91,883,411.44,4.614,5,0.408,0.84,1.0,0.9904221780549654,0.9840226852169145,0.8639315331368652,0.8603676924131314,0.9246860222054691
EOS-0-00754,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4C(F)(F)F)n23)cc1F,ORKRMUYMUNGQKY-UHFFFAOYSA-N,0,1,0.775,23,240,454.786,5.363,4,0.381,0.81,1.0,0.9924011376876156,0.9927181139058323,0.9989634020971832,0.9989805359468166,0.995765797409362
EOS-0-00755,COc1ccc(Oc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,JKHCKDRFHVENBH-UHFFFAOYSA-N,0,1,0.738,48,254,336.326,3.731,4,0.568,0.91,1.0,0.9537728736892606,0.9439980124734425,0.869662805839216,0.815271400178192,0.8956762730450278
EOS-0-00756,COc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1,UYAUPEBMZIOJCX-UHFFFAOYSA-N,0,1,0.838,48,396,415.28,4.728,4,0.456,0.86,1.0,0.9716520457816462,0.982797614968131,0.9070145980398876,0.9041361113014872,0.9414000925227881
EOS-0-00757,FC(F)(F)c1cccc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)c1,OMJZCSUCDZBOLW-UHFFFAOYSA-N,0,1,0.725,48,17,449.23,5.152,4,0.433,0.86,1.0,0.9933606332670825,0.9817353162908642,0.9966674662463162,0.9938061133575492,0.991392382290453
EOS-0-00758,Cc1cc(F)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,VLPJSBWYVJQDHT-UHFFFAOYSA-N,0,1,0.806,48,135,348.381,3.86,4,0.549,0.88,1.0,0.960386539647728,0.9493866081831266,0.7671338496333356,0.7623363717360017,0.8598108423000479
EOS-0-00759,Fc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c(F)c1,WRHVRVWFCTVBGW-UHFFFAOYSA-N,0,1,0.676,48,444,408.286,4.76,4,0.456,0.82,1.0,0.9819237886368309,0.9901908710849153,0.9982694811870331,0.9974384894798163,0.9919556575971489
EOS-0-00760,CCCCOc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,YOQOOMQBJCKSCE-UHFFFAOYSA-N,0,1,0.778,68,305,352.316,3.869,3,0.63,0.83,1.0,0.9577993283530943,0.935473922280858,0.9239514084024398,0.8485110684668631,0.9164339318758138
EOS-0-00761,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)cc1,QVXQRGXWTDDYTC-UHFFFAOYSA-N,0,1,0.686,90,400,358.76,3.798,4,0.543,0.83,1.0,0.9862672195188815,0.966811733260229,0.8270851895003769,0.865276540333082,0.9113601706531423
EOS-0-00762,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)cc1F,KYGUMTCXRLWDFS-UHFFFAOYSA-N,0,1,0.879,79,650,428.442,5.358,5,0.365,0.79,1.0,0.9924097046124323,0.9920241929956822,0.9525563703652937,0.954843739291344,0.9729585018161881
EOS-0-00763,Cc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,JTUQULZAWXGBPP-UHFFFAOYSA-N,0,1,0.818,48,231,364.836,4.375,4,0.527,0.87,1.0,0.964695702830512,0.9619457199643616,0.8196148310602426,0.8370999246110616,0.8958390446165445
EOS-0-00764,Fc1cccc(CCOc2cncc3nnc(-c4ccc(OCCC(F)(F)F)cc4)n23)c1,VUJZNMIHXHJDJK-UHFFFAOYSA-N,0,1,0.701,48,40,446.404,4.883,4,0.361,0.84,1.0,0.9930350901240491,0.990199438009732,0.9784970187101638,0.9568569666232609,0.9796471283668013
EOS-0-00765,Oc1ccc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)cc1,BNGZFGOBTDIXCX-UHFFFAOYSA-N,0,1,0.714,48,231,368.343,3.397,4,0.585,0.81,1.0,0.9735367692413132,0.9740936193543965,0.897076965252553,0.8859056952916181,0.9326532622849701
EOS-0-00766,CCOc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,XXMYHHDCKHDIRM-UHFFFAOYSA-N,0,1,0.736,48,396,394.862,4.465,4,0.463,0.89,1.0,0.9788825303269139,0.972817147556713,0.7957645123706394,0.7598348296895346,0.8768247549859502
EOS-0-00767,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,IFWCEFKQFSBLLX-UHFFFAOYSA-N,0,1,0.849,48,231,379.351,3.46,4,0.376,0.85,1.0,0.9944743334932493,0.8534541840860804,0.6327273661846343,0.42738674525392367,0.7270106572544719
EOS-0-00768,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4F)n23)cc1F,SFTVOTDUARIHCU-UHFFFAOYSA-N,0,1,0.768,23,627,422.769,4.623,4,0.348,0.76,1.0,0.9911760674388321,0.9932578301692825,0.9914416421081489,0.9949112466588993,0.9926966965937907
EOS-0-00769,Fc1ccc(CCOc2cncc3nnc(-c4cc(Cl)cc(Cl)c4)n23)cc1F,DMLNTKMRZHZFKE-UHFFFAOYSA-N,0,1,0.833,23,86,421.234,4.998,4,0.455,0.78,1.0,0.9786083887327804,0.9892399424302653,0.9813583715989308,0.9909019258446988,0.9850271571516688
EOS-0-00770,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cn4)n23)cc1,DOUOUHNHXAQSRN-UHFFFAOYSA-N,0,1,0.686,90,400,430.693,4.224,4,0.474,0.81,1.0,0.9780087039956137,0.9874751559180317,0.6973819477760264,0.7769943800973202,0.8599650469467479
EOS-0-00771,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1F,XJRMLXMTDVSOCN-UHFFFAOYSA-N,0,1,0.716,48,396,398.825,4.214,4,0.486,0.77,1.0,0.9866869988348982,0.9741021862792132,0.9088136522513879,0.892562195874169,0.9405412583099171
EOS-0-00772,Fc1ccccc1-c1nnc2cncc(OCCc3cccc(Cl)c3)n12,UIVOWLQPXIUFDQ-UHFFFAOYSA-N,0,1,0.875,48,906,368.799,4.205,4,0.529,0.89,1.0,0.9244311561921733,0.9817438832156808,0.8908573778356521,0.9290572955931738,0.93152242820917
EOS-0-00773,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4ccccc4)n23)c1,GENJNAPGGDILCQ-UHFFFAOYSA-N,0,1,0.794,23,906,370.334,3.83,4,0.501,0.79,1.0,0.9722945651428964,0.9697159207730793,0.9446405318346927,0.9476303885957097,0.9585703515865944
EOS-0-00774,Clc1ccc(CCOc2cncc3nnc(-c4cccc(Br)c4)n23)cc1,NQOUUYZWAFRKQB-UHFFFAOYSA-N,0,1,0.906,48,231,429.705,4.829,4,0.456,0.87,1.0,0.9500890960180933,0.9844424645329313,0.8802172572133506,0.9142193818107053,0.9322420498937701
EOS-0-00775,Fc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4Cl)n23)cc1F,AYLJLUXAIXYIND-UHFFFAOYSA-N,0,1,0.783,23,86,421.234,4.998,4,0.455,0.84,1.0,0.9819323555616476,0.9847508738263313,0.9822493317798643,0.9911332328147489,0.9850164484956481
EOS-0-00776,Fc1cc(OC(F)(F)F)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,UPXLGKVZOGOHPM-UHFFFAOYSA-N,0,1,0.775,48,40,418.35,4.451,4,0.433,0.8,1.0,0.9810328284558975,0.989454115550682,0.9897025563703653,0.9788054280035638,0.9847487320951271
EOS-0-00777,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1F,NLEJRNISXUCABW-UHFFFAOYSA-N,0,1,0.783,48,396,382.37,3.7,4,0.509,0.83,1.0,0.97477897333973,0.959435610993078,0.9125402645466384,0.8668357206497156,0.9283976423822904
EOS-0-00778,Fc1cc(-c2nnc3cncc(OCCOc4ccc(Cl)cc4)n23)ccc1OC(F)F,VCUYYEBKXWKCQE-UHFFFAOYSA-N,0,1,0.689,48,40,450.804,4.643,4,0.364,0.76,1.0,0.992418271537249,0.9923240353642656,0.9804674114179974,0.9747704064149133,0.9849950311836063
EOS-0-00779,CC(Oc1cncc2nnc(-c3ccc(F)c(F)c3)n12)c1ccccc1Cl,CPPCSMNYBSZVST-UHFFFAOYSA-N,0,1,0.658,23,86,386.789,4.863,4,0.502,0.75,1.0,0.9886059899938319,0.9874837228428484,0.9888115961894318,0.9909104927695155,0.9889529504489069
EOS-0-00781,Clc1cccc2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ccc12,LQENBJNDVHUITD-UHFFFAOYSA-N,0,1,0.784,79,824,400.869,5.219,5,0.406,0.82,1.0,0.9816582139675142,0.9871924473990816,0.8852546090055514,0.922863408950723,0.9442421698307176
EOS-0-00782,Fc1cccc(F)c1-c1nnc2cncc(OCCc3ccc(Cl)c(Cl)c3)n12,FMVTZXUNQOWTSL-UHFFFAOYSA-N,0,1,0.803,23,86,421.234,4.998,4,0.455,0.84,1.0,0.9827376464944144,0.9822150640805977,0.9769635391679803,0.9888715646631485,0.9826969536015353
EOS-0-00783,FC(F)(F)c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,PEGANCUFVMVEPY-UHFFFAOYSA-N,0,1,0.806,48,240,418.806,5.085,4,0.453,0.88,1.0,0.9832859296826811,0.984759440751148,0.9954252621478994,0.9941744911246659,0.9894112809265986
EOS-0-00784,FC(F)(F)Oc1ccc(-c2nnc3cncc(Oc4cccc(C(F)(F)F)c4)n23)cc1,MWHXBSKFGHQJTQ-UHFFFAOYSA-N,0,1,0.694,48,444,440.303,5.501,4,0.392,0.8,1.0,0.9922469330409156,0.9897025563703653,0.99987149612775,0.9997429922555,0.9953909944486327
EOS-0-00785,Cc1c(F)cccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,KXSFBOGIKFZSDK-UHFFFAOYSA-N,0,1,0.754,48,231,382.826,4.514,4,0.509,0.9,1.0,0.9743334932492632,0.9661777808237955,0.902568364060037,0.9153416489616887,0.9396053217736962
EOS-0-00786,Fc1ccc(CCOc2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)cc1,OUNRLOLKZLUUQF-UHFFFAOYSA-N,0,1,0.806,48,240,402.351,4.571,4,0.459,0.89,1.0,0.9802018367486807,0.9789510657254472,0.995279624426016,0.9916643821533823,0.9865242272633815
EOS-0-00787,Fc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)c1,DUKHFMIIXCIXBB-UHFFFAOYSA-N,0,1,0.736,48,240,420.341,4.71,4,0.439,0.78,1.0,0.990430744979782,0.9884946199712151,0.9973014186827497,0.9959649784113495,0.9930479405112741
EOS-0-00788,Fc1cc(Cl)cc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,AXOJLSNKDPWSGW-UHFFFAOYSA-N,0,1,1.0,48,135,368.799,4.205,4,0.529,0.78,1.0,0.8740747721197999,0.9735025015420464,0.8863854430813515,0.9187255842642725,0.9131720752518675
EOS-0-00789,Fc1cc(Cl)cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,QCHZQMRCDGSCQE-UHFFFAOYSA-N,0,1,0.873,23,370,403.244,4.859,4,0.478,0.85,1.0,0.9583904461654444,0.9847680076759646,0.9569340689466109,0.9772376807621136,0.9693325508875333
EOS-0-00790,Oc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,RAUHNZBKAQUEEK-UHFFFAOYSA-N,0,1,0.779,48,231,401.253,4.425,4,0.536,0.82,1.0,0.9679511342608458,0.9745819340689467,0.8945325885820026,0.9301795627441574,0.9418113049139881
EOS-0-00791,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4Cl)n23)c1,HMKOLEPZHCRYKZ-UHFFFAOYSA-N,0,1,0.736,23,86,421.234,4.998,4,0.426,0.84,1.0,0.9832944966074978,0.9935491056130491,0.979396545815914,0.9893598793776985,0.9864000068535398
EOS-0-00792,FC(F)(F)Oc1ccc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)cc1,UHUGLAZLJATKFX-UHFFFAOYSA-N,0,1,0.846,48,444,406.751,5.136,4,0.47,0.82,1.0,0.9530018504557604,0.9856846686313481,0.995433829072716,0.9950654513055993,0.982296449866356
EOS-0-00793,Oc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1Br,UEFUBUSDJGKJME-UHFFFAOYSA-N,0,1,0.794,48,231,429.249,4.02,4,0.519,0.78,1.0,0.9743420601740799,0.9703927078335961,0.8788893838667672,0.8652851072578988,0.9222273147830855
EOS-0-00794,COc1ccccc1OCCOc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,IADMLYWGEZIHPZ-UHFFFAOYSA-N,0,1,0.859,48,40,428.395,3.859,4,0.375,0.81,1.0,0.9899081625659654,0.95056027688301,0.9037248989102872,0.772231169899253,0.9041061270646289
EOS-0-00795,Fc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1OC(F)F,ZPDAGGCMFOQSMK-UHFFFAOYSA-N,0,1,0.722,48,444,456.302,5.223,4,0.371,0.83,1.0,0.9939774518538825,0.9887002261668152,0.9993660475635666,0.9984408196833665,0.9951211363169077
EOS-0-00796,Fc1cccc(COc2cncc3nnc(-c4ccccc4)n23)c1F,DPPUJUQHFRNASI-UHFFFAOYSA-N,0,1,0.657,48,135,338.317,3.649,4,0.57,0.89,1.0,0.9798677266808307,0.9461654444520595,0.9315417037900076,0.9327325063395243,0.9475768453156055
EOS-0-00797,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4F)n23)c1,KRLNDFFVPZGACB-UHFFFAOYSA-N,0,1,0.736,23,86,421.234,4.998,4,0.426,0.79,1.0,0.9860102117743814,0.9935576725378658,0.9794051127407306,0.9893684463025153,0.9870853608388733
EOS-0-00798,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)c(Cl)c1,PNTRXOLQIXWHCK-UHFFFAOYSA-N,0,1,0.794,23,370,421.234,4.998,4,0.455,0.78,1.0,0.985376259337948,0.9894626824754986,0.9787540264546638,0.9907477211979988,0.9860851723665274
EOS-0-00799,Clc1ccc(-c2nnc3cncc(OCc4ccccc4)n23)c(Cl)c1,IQBBFFNINAIZNF-UHFFFAOYSA-N,0,1,0.71,48,906,371.227,4.677,4,0.523,0.88,1.0,0.9603951065725447,0.9822236310054143,0.9221523541909397,0.9580563360975944,0.9557068569666234
EOS-0-00800,Fc1ccccc1Oc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,BOSBBRBJMYMCFZ-UHFFFAOYSA-N,0,1,0.769,48,254,372.306,4.324,4,0.522,0.85,1.0,0.9402285655541087,0.9789596326502639,0.9787625933794805,0.9726286752107464,0.9676448666986498
EOS-0-00801,Fc1ccc(-c2nnc3cncc(Oc4cccc(OC(F)(F)F)c4)n23)cc1F,XZQFXRIYAUUIAG-UHFFFAOYSA-N,0,1,0.61,48,444,408.286,4.76,4,0.456,0.85,1.0,0.9836029059008978,0.9892485093550819,0.9983979850592831,0.9977554656980331,0.992251216503324
EOS-0-00802,Fc1cccc(F)c1-c1nnc2cncc(OCCc3ccccc3)n12,PIYRHFRGTCSHSV-UHFFFAOYSA-N,0,1,0.812,48,906,352.344,3.691,4,0.55,0.87,1.0,0.9562315811116442,0.9493951751079432,0.8596395038037146,0.8815022959358508,0.9116921389897882
EOS-0-00803,FC(F)(F)c1ccc(-c2nnc3cncc(Oc4ccccc4)n23)cc1,BSEBVNBXPOXTCX-UHFFFAOYSA-N,0,1,0.738,48,254,356.307,4.602,4,0.538,0.9,1.0,0.9769892399424303,0.9411880611335754,0.9939774518538825,0.9874580220683983,0.9749031937495717
EOS-0-00804,COc1ccc(-c2nnc3cncc(Oc4ccc(F)c(OC(F)F)c4)n23)cc1,ZTAFNLPWYDSWPV-UHFFFAOYSA-N,0,1,0.743,48,444,402.332,4.333,4,0.478,0.82,1.0,0.9780172709204304,0.9766037283256802,0.9776060585292303,0.9461483106024261,0.9695938420944418
EOS-0-00805,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,UMNBPLXUHBWGBN-UHFFFAOYSA-N,0,1,0.849,48,231,395.806,3.974,4,0.362,0.83,1.0,0.9936176410115825,0.9067575902953876,0.6357771914193681,0.4801761359742307,0.7540821396751421
EOS-0-00806,Fc1cccc(CCOc2cncc3nnc(-c4cccc(F)c4)n23)c1,AGYDCCMRWSTHEI-UHFFFAOYSA-N,0,1,0.906,48,231,352.344,3.691,4,0.55,0.87,1.0,0.9205075046261394,0.9711123295181961,0.8991587279830032,0.9153502158865053,0.926532194503461
EOS-0-00807,Fc1ccc(CCOc2cncc3nnc(-c4cccc(OC(F)(F)F)c4)n23)cc1F,GHZBAOMJESMLKB-UHFFFAOYSA-N,0,1,0.829,48,40,436.34,4.59,4,0.414,0.84,1.0,0.9765951614008636,0.9863271879925982,0.9964275923514495,0.9932749640189158,0.9881562264409568
EOS-0-00808,COc1cc(F)ccc1Oc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,PVYDQOSBDIHAJE-UHFFFAOYSA-N,0,1,0.653,48,444,420.322,4.63,4,0.439,0.84,1.0,0.9853848262627647,0.9868754711808649,0.9936090740867658,0.9776831608525803,0.985888133095744
EOS-0-00809,COc1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,MSNCGZVKLXORSD-UHFFFAOYSA-N,0,1,0.721,48,444,416.359,4.278,4,0.467,0.84,1.0,0.989916729490782,0.9526077719141937,0.9891371393324652,0.9548523062161607,0.9716284867384004
EOS-0-00810,Fc1cccc(F)c1-c1nnc2cncc(OCCc3cccc(Cl)c3)n12,WPPZOSLCUGBVBJ-UHFFFAOYSA-N,0,1,0.714,23,906,386.789,4.344,4,0.512,0.9,1.0,0.9679597011856624,0.9780858063189637,0.9413851004043589,0.9629309163182784,0.9625903810568159
EOS-0-00811,CS(=O)(=O)c1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,GIJQHLNIDYGTCE-UHFFFAOYSA-N,0,1,0.881,48,576,412.446,2.955,4,0.484,0.9,1.0,0.9076057158522377,0.9603265711740113,0.6479336577342197,0.6410201494071688,0.7892215235419093
EOS-0-00812,Fc1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)cc1Br,QGMLSZAKWJVFQL-UHFFFAOYSA-N,0,1,0.791,23,86,482.14,5.621,4,0.371,0.77,1.0,0.9949797820574326,0.995151120553766,0.9724145020903296,0.9867041326845316,0.987312384346515
EOS-0-00813,Fc1cccc(CCOc2cncc3nnc(-c4cc(F)ccc4F)n23)c1,DENPRIPAWXAFPP-UHFFFAOYSA-N,0,1,0.732,23,370,370.334,3.83,4,0.536,0.87,1.0,0.9679682681104791,0.9711208964430128,0.9512627647179769,0.9605664450688781,0.9627295935850867
EOS-0-00814,FC(F)(F)Oc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,HSGHGYRUHLDVHZ-UHFFFAOYSA-N,0,1,0.809,48,40,484.356,5.21,4,0.336,0.83,1.0,0.9931978616955658,0.9879977383318485,0.9994260160372832,0.9969758755397162,0.9943993729011034
EOS-0-00815,Fc1ccccc1-c1nnc2cncc(OCCc3ccccc3)n12,CDMUEBZTPCEIBI-UHFFFAOYSA-N,0,1,1.0,48,135,334.354,3.552,4,0.56,0.94,1.0,0.807689671715441,0.9494037420327599,0.7460506476595161,0.7816633541224042,0.8212018538825303
EOS-0-00816,Fc1cccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)c1,CFSQVSFIMOWEJW-UHFFFAOYSA-N,0,1,0.761,23,370,386.789,4.344,4,0.512,0.84,1.0,0.9611061613323282,0.9885031868960318,0.9558203687204441,0.9718833527516962,0.9693282674251251
EOS-0-00817,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1F,ODYKIVQXIZCCLX-UHFFFAOYSA-N,0,1,0.908,79,650,428.442,5.358,5,0.365,0.8,1.0,0.9922554999657323,0.9880063052566651,0.9531988897265438,0.9542012199300939,0.9719154787197588
EOS-0-00818,Fc1cccc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)c1,QVMNCOSCZLWWQF-UHFFFAOYSA-N,0,1,0.786,23,370,370.334,3.83,4,0.536,0.84,1.0,0.959769721060928,0.9807415530121307,0.9558289356452607,0.9622969638818449,0.9646592934000411
EOS-0-00819,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1C(F)(F)F,ZPMSWMZRRXGMJT-UHFFFAOYSA-N,0,1,0.736,48,240,436.796,5.224,4,0.402,0.8,1.0,0.9919984922212323,0.9928637516277157,0.997395654855733,0.9973271194571997,0.9948962545404701
EOS-0-00820,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)nc1,PXYPUCWZUGIPDY-UHFFFAOYSA-N,0,1,0.671,90,400,371.322,3.225,4,0.539,0.84,1.0,0.9769978068672469,0.9755071619491468,0.8908659447604688,0.8968028236584196,0.9350434343088205
EOS-0-00821,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,MUKMTDRPFDICFH-UHFFFAOYSA-N,0,1,0.686,90,400,391.283,4.781,4,0.491,0.84,1.0,0.9844338976081146,0.9856932355561647,0.7854413679665547,0.8815108628606675,0.9092698409978753
EOS-0-00822,COc1ccccc1CCOc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,BCAGDNIWBRQPBP-UHFFFAOYSA-N,0,1,0.738,48,40,430.386,4.32,4,0.435,0.81,1.0,0.9877407305873483,0.9735110684668631,0.9769721060927969,0.9196508121444726,0.9644686793228703
EOS-0-00823,Fc1ccc(F)c(COc2cncc3nnc(-c4ccccc4)n23)c1,LGRSNXUPFOSWLV-UHFFFAOYSA-N,0,1,0.657,48,17,338.317,3.649,4,0.57,0.88,1.0,0.9792423411692139,0.9411966280583921,0.9282177369611404,0.9345058597765746,0.9457906414913303
EOS-0-00824,Fc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)F)cc4)n23)cc1OC(F)(F)F,VERGPQFMGVNSDK-UHFFFAOYSA-N,0,1,0.722,48,40,484.356,5.052,4,0.326,0.79,1.0,0.9970015763141663,0.9927266808306491,0.9983380165855664,0.9957079706668495,0.9959435610993078
EOS-0-00825,Fc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)c(F)c1,SOCFOJWBKGKORZ-UHFFFAOYSA-N,0,1,0.786,23,370,386.789,4.344,4,0.512,0.83,1.0,0.9623055308066616,0.9859416763758482,0.9563772188335276,0.9711037625933795,0.9689320471523541
EOS-0-00826,Fc1ccc(-c2nnc3cncc(Oc4cccc(C(F)(F)F)c4)n23)cc1,NSZVBZMMCTXDLZ-UHFFFAOYSA-N,0,1,0.636,48,254,374.297,4.742,4,0.486,0.85,1.0,0.9813155369748475,0.9844510314577479,0.9979182372695498,0.9971129463367829,0.9901994380097321
EOS-0-00827,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)c(F)c4F)n23)cc1,JXNNIUNZGXVCCM-UHFFFAOYSA-N,0,1,0.693,23,240,436.34,4.432,4,0.401,0.79,1.0,0.9891114385580152,0.9927352477554657,0.9907648550476321,0.9880748406551985,0.9901715955040779
EOS-0-00828,CCOc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1Cl,SOIPQMCMJGKHCM-UHFFFAOYSA-N,0,1,0.764,48,135,394.862,4.465,4,0.463,0.83,1.0,0.9708124871496128,0.9828061818929477,0.7694040847097526,0.7338170790213145,0.864209958193407
EOS-0-00829,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(Cl)c1,ASHRKGSHPQGJQT-UHFFFAOYSA-N,0,1,0.775,48,40,434.805,4.965,4,0.429,0.86,1.0,0.9802104036734973,0.9885117538208484,0.9898738948666986,0.9837571105475978,0.9855882907271606
EOS-0-00830,Fc1ccccc1Oc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,OUSRXNHAZITQDA-UHFFFAOYSA-N,0,1,0.644,48,444,390.296,4.621,4,0.476,0.86,1.0,0.9708210540744294,0.9865670618874649,0.9952881913508327,0.9918014529504489,0.9861194400657939
EOS-0-00831,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)cc1,KXPQKLGBFSUPRN-UHFFFAOYSA-N,0,1,0.658,48,40,469.25,5.618,4,0.367,0.79,1.0,0.994482900418066,0.9960763484339662,0.995202522102666,0.9960506476595161,0.9954531046535535
EOS-0-00832,Fc1cccc(F)c1Oc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,WHMQROINMHSJOB-UHFFFAOYSA-N,0,1,0.671,48,444,408.286,4.76,4,0.456,0.74,1.0,0.9866955657597148,0.9904221780549654,0.9977554656980331,0.9964190254266329,0.9928230587348366
EOS-0-00833,Fc1ccc(CCOc2cncc3nnc(-c4cc(F)c(F)cc4F)n23)cc1,VZTHCIKFVDYQHW-UHFFFAOYSA-N,0,1,0.75,23,86,388.324,3.969,4,0.384,0.79,1.0,0.9881690768281818,0.9859502433006648,0.9807843876362141,0.9828061818929477,0.9844274724145021
EOS-0-00834,CC(Oc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccccc1,TZWKIDNPGRKKIH-UHFFFAOYSA-N,0,1,0.848,48,135,382.37,4.533,4,0.49,0.81,1.0,0.9726972106092797,0.9603351380988281,0.9765266260023302,0.9548608731409773,0.9661049619628539
EOS-0-00835,FC(F)(F)c1ccc(Oc2cncc3nnc(-c4ccccc4)n23)cc1,QANGBNDRXVPROK-UHFFFAOYSA-N,0,1,0.794,48,254,356.307,4.602,4,0.538,0.91,1.0,0.9689277636899458,0.9546981015694607,0.9938489479816325,0.9869354396545816,0.9761025632239051
EOS-0-00836,FC(F)(COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12)c1ccccc1,WWNXXTQSIQXZJE-UHFFFAOYSA-N,0,1,0.743,48,906,421.234,5.269,4,0.441,0.79,1.0,0.9810413953807141,0.9910903981906655,0.9960078130354328,0.9980895757658831,0.991557295593174
EOS-0-00837,O=S(=O)(F)c1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,SMNVWTXQKKDSMC-UHFFFAOYSA-N,0,1,0.859,48,231,416.409,3.21,4,0.449,0.85,1.0,0.9664947570420122,0.9704012747584128,0.8358577205126447,0.8291155506819272,0.9004673257487492
EOS-0-00838,COc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(OC(F)(F)F)c4)n23)c1,ZYNJHOJBBOQUOX-UHFFFAOYSA-N,0,1,0.711,48,40,448.376,4.459,4,0.389,0.7,1.0,0.9907305873483654,0.989711123295182,0.9898824617915153,0.9641045850181619,0.9836071893633062
EOS-0-00839,N#Cc1ccc(-c2nnc3cncc(Oc4cccc(C(F)(F)F)c4)n23)cc1,NJQZSWBHSDNINE-UHFFFAOYSA-N,0,1,0.63,48,444,381.317,4.474,4,0.523,0.83,1.0,0.9844424645329313,0.9750445480090467,0.996933040915633,0.9941830580494826,0.9876507778767734
EOS-0-00840,COc1cccc(CCOc2cncc3nnc(-c4cccc(F)c4)n23)c1,CJTIGKSVLXIQJX-UHFFFAOYSA-N,0,1,0.817,48,396,364.38,3.561,4,0.523,0.89,1.0,0.942053320540059,0.9636162703036119,0.7980690151463231,0.7281372078678637,0.8579689534644644
EOS-0-00841,Cc1cc(OC(F)F)ccc1-c1nnc2cncc(OCCc3ccc(F)cc3)n12,SJAZRFGYYNVFIF-UHFFFAOYSA-N,0,1,0.718,48,40,414.387,4.462,4,0.447,0.81,1.0,0.9853933931875813,0.9840312521417311,0.9645072304845452,0.9430128161195257,0.9692361729833459
EOS-0-00842,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)cc1F,GHCYDQZIIRDSIL-UHFFFAOYSA-N,0,1,0.841,57,485,446.432,5.497,5,0.346,0.77,1.0,0.9948255774107326,0.9956223014186828,0.9772976492358303,0.9797392228085806,0.9868711877184566
EOS-0-00843,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)cc1Cl,OFUGZWKNWIMWLA-UHFFFAOYSA-N,0,1,0.879,79,650,444.897,5.872,5,0.328,0.85,1.0,0.9936262079363991,0.9949883489822493,0.9532074566513604,0.9635391679802618,0.9763402953875677
EOS-0-00844,Fc1ccccc1-c1nnc2cncc(OCCc3ccccc3Cl)n12,QNQVBRMLBHSBOA-UHFFFAOYSA-N,0,1,0.831,48,906,368.799,4.205,4,0.529,0.88,1.0,0.9296569803303406,0.9760811459118635,0.889777945308752,0.930188129668974,0.9314260503049826
EOS-0-00845,COc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)c1,VXGQWWUIRYXNHI-UHFFFAOYSA-N,0,1,0.809,48,135,364.38,3.561,4,0.523,0.83,1.0,0.9583990130902611,0.9526163388390103,0.7786563635117538,0.7038071413885272,0.848369714207388
EOS-0-00846,FC(F)(F)Oc1ccc(-c2nnc3cncc(Oc4ccccc4)n23)cc1,KZDBGFUWEZFLLZ-UHFFFAOYSA-N,0,1,0.833,48,444,372.306,4.482,4,0.529,0.89,1.0,0.9604036734973613,0.9067661572202043,0.9889915016105819,0.9756013981221301,0.9579406826125694
EOS-0-00847,Fc1ccc(COc2cncc3nnc(-c4ccccc4)n23)c(F)c1,BAGYAJMLJGGGBS-UHFFFAOYSA-N,0,1,0.657,48,17,338.317,3.649,4,0.57,0.89,1.0,0.977666027002947,0.9451031457747927,0.9291686656157906,0.9345144267013913,0.9466130662737304
EOS-0-00848,Fc1ccc(CCOc2cncc3nnc(-c4cc(Cl)c(Cl)c(Cl)c4)n23)cc1F,POKPLEVUTRRZKA-UHFFFAOYSA-N,0,1,0.818,23,627,455.679,5.651,4,0.365,0.79,1.0,0.992264066890549,0.9956308683434995,0.9922040984168323,0.9977897333972997,0.9944721917620452
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EOS-0-00862,Fc1cccc(Cl)c1-c1nnc2cncc(OCCc3ccccc3)n12,VECVNPCWFBFQET-UHFFFAOYSA-N,0,1,0.812,48,906,368.799,4.205,4,0.529,0.82,1.0,0.9554519909533274,0.965312521417312,0.8610873140977314,0.9053611815502707,0.9218032520046604
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EOS-0-00865,Fc1cccc(CCOc2cncc3nnc(-c4c(F)cccc4F)n23)c1,PIIOOSYHJYKVCM-UHFFFAOYSA-N,0,1,0.714,23,906,370.334,3.83,4,0.536,0.88,1.0,0.9630337194160784,0.9683109451031457,0.9406654787197588,0.9517253786580769,0.955933880474265
EOS-0-00866,Clc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c1,CGLAVHWNQWLYKJ-UHFFFAOYSA-N,0,1,0.864,23,86,419.699,5.373,4,0.436,0.87,1.0,0.9623140977314784,0.9844681653073812,0.9626996093482284,0.9842711260365979,0.9734382496059215
EOS-0-00867,COc1cc(F)ccc1-c1nnc2cncc(OCCc3ccc(Cl)c(F)c3)n12,PIJNWHJPARCIJK-UHFFFAOYSA-N,0,1,0.764,23,86,416.815,4.353,4,0.467,0.79,1.0,0.9795593173874306,0.9619542868891783,0.9512713316427935,0.9405626756219587,0.9583369028853402
EOS-0-00868,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(F)c(C(F)(F)F)c3)n12,YDRABJXBPWWENE-UHFFFAOYSA-N,0,1,0.786,48,240,420.341,4.71,4,0.439,0.79,1.0,0.985401960112398,0.987492289767665,0.9972500171338496,0.9958450414639161,0.9914973271194572
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EOS-0-00870,Fc1cccc(Oc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,ULAWRGYMNDVUIG-UHFFFAOYSA-N,0,1,0.75,48,254,374.297,4.742,4,0.486,0.85,1.0,0.9653210883421287,0.9789681995750805,0.9979268041943664,0.9971215132615996,0.9848344013432937
EOS-0-00871,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc2)cc1,VJQRYMLKNJHLQT-UHFFFAOYSA-N,0,1,0.809,83,497,444.897,5.872,5,0.328,0.89,1.0,0.9939860187786992,0.9979782057432663,0.9538157083133438,0.967634158042629,0.9783535227194846
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EOS-0-00892,COc1cc(-c2nnc3cncc(OCc4ccccc4)n23)ccc1F,GQAMUDXBDRULDQ-UHFFFAOYSA-N,0,1,0.667,48,135,350.353,3.518,4,0.551,0.85,1.0,0.9795678843122473,0.9240285107257898,0.8487766431361798,0.7745956411486533,0.8817421698307176
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EOS-0-00898,Fc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1Cl,ZMPOYGDSJMXFOY-UHFFFAOYSA-N,0,1,0.703,90,400,369.787,3.6,4,0.537,0.8,1.0,0.9694589130285792,0.9711294633678295,0.7762576245630869,0.8211997121513261,0.8845114282777053
EOS-0-00899,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)cc4)n23)cc1F,RWEQBAQSPZAKSB-UHFFFAOYSA-N,0,1,0.747,91,485,447.42,4.892,5,0.371,0.77,1.0,0.992752381605099,0.9857018024809814,0.9482043725584264,0.9453944212185594,0.9680132444657665
EOS-0-00900,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)cc1,WTGIPFBVUXUZMZ-UHFFFAOYSA-N,0,1,0.882,79,650,458.468,5.681,5,0.299,0.82,1.0,0.9952710575011994,0.9930436570488658,0.9595212802412446,0.9461568775272429,0.9734982180796381
EOS-0-00902,Fc1cccc(Cl)c1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,SRRVAIUVZWZFIV-UHFFFAOYSA-N,0,1,0.797,23,906,403.244,4.859,4,0.478,0.87,1.0,0.972303132067713,0.9735282023164965,0.9460026728805428,0.9731426906997465,0.9662441744911248
EOS-0-00903,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1O,PTNVRBCJIBECNO-UHFFFAOYSA-N,0,1,0.728,48,948,398.369,3.405,4,0.536,0.76,1.0,0.9836114728257145,0.9149133027208554,0.9047786306627373,0.8191779178945926,0.905620331025975
EOS-0-00904,Fc1ccc(CCOc2cncc3nnc(-c4ccc5c(F)cccc5c4)n23)cc1,HDBAXXJXOYXLPU-UHFFFAOYSA-N,0,1,0.73,57,397,402.404,4.844,5,0.422,0.8,1.0,0.982514906449181,0.9875008566924817,0.9494465766568433,0.9599924611061613,0.9698637002261669
EOS-0-00905,Fc1ccc(-c2nnc3cncc(OCC(F)(F)c4ccccc4)n23)cc1OC(F)F,KYIPAALADXBKHS-UHFFFAOYSA-N,0,1,0.573,48,40,436.34,4.703,4,0.393,0.77,1.0,0.995279624426016,0.9934120348159825,0.9986806935782332,0.9977640326228497,0.9962840963607704
EOS-0-00906,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)cc4)n23)cc1,JABLQAWNEACRLQ-UHFFFAOYSA-N,0,1,0.736,48,40,468.357,5.33,4,0.358,0.87,1.0,0.9919128229730656,0.9889401000616819,0.9996915907066,0.9987406620519498,0.9948212939483243
EOS-0-00907,COc1cccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1F,FOSGQBUDCNCANS-UHFFFAOYSA-N,0,1,0.658,48,40,432.377,4.579,4,0.418,0.78,1.0,0.9887773284901652,0.9868840381056816,0.9937975464327325,0.9777002947022136,0.9867898019326983
EOS-0-00908,Fc1cccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,BCHWLOBOHUGMQN-UHFFFAOYSA-N,0,1,1.0,48,254,372.306,4.324,4,0.522,0.81,1.0,0.8178157768487424,0.9755328627235967,0.9787711603042971,0.9751559180316633,0.9368189294770748
EOS-0-00909,Fc1ccccc1COc1cncc2nnc(-c3cccc(OC(F)(F)F)c3)n12,JYVAVPWUXYEAKL-UHFFFAOYSA-N,0,1,0.61,48,444,404.323,4.408,4,0.461,0.88,1.0,0.9854105270372148,0.9807501199369474,0.9945086011925159,0.9899852648893154,0.9876636282639983
EOS-0-00910,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4cccc(C(F)(F)F)c4)n23)cc1,XGYDFLFKEWHCEM-UHFFFAOYSA-N,0,1,0.733,48,40,468.357,5.33,4,0.358,0.84,1.0,0.9927609485299157,0.9902080049345487,0.9996830237817833,0.9986721266534165,0.9953310259749161
EOS-0-00911,Fc1ccc(Oc2cncc3nnc(-c4ccccc4)n23)cc1F,ZWERCCPYFNLRAZ-UHFFFAOYSA-N,0,1,0.766,48,254,324.29,3.862,4,0.574,0.84,1.0,0.9723116989925297,0.9043502844219039,0.9346257967240079,0.9436724693304092,0.9387400623672126
EOS-0-00912,FC(F)(F)c1cccc(COc2cncc3nnc(-c4ccccc4)n23)c1,HTCRPFFFXMXNCN-UHFFFAOYSA-N,0,1,0.681,48,135,370.334,4.389,4,0.535,0.87,1.0,0.9788996641765472,0.9412051949832089,0.9931978616955658,0.9834058666301144,0.9741771468713591
EOS-0-00913,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,WMNSEBGLXYVABW-UHFFFAOYSA-N,0,1,0.676,48,444,424.741,5.275,4,0.417,0.82,1.0,0.9829946542389144,0.9918528544993489,0.9982780481118497,0.9982951819614831,0.992855184702899
EOS-0-00914,Clc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1Cl,NMFGGQYGCNANQR-UHFFFAOYSA-N,0,1,0.806,48,906,385.254,4.72,4,0.499,0.88,1.0,0.9466623260914262,0.9690219998629293,0.8908745116852854,0.9362363785895415,0.9356988040572957
EOS-0-00915,Fc1ccc(CCOc2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)cc1F,NMVPDXKLDDZAID-UHFFFAOYSA-N,0,1,0.826,48,240,420.341,4.71,4,0.439,0.8,1.0,0.9770063737920636,0.9775803577547804,0.9982523473373998,0.9971300801864162,0.987492289767665
EOS-0-00916,Fc1cccc(CCOc2cncc3nnc(-c4ccccc4Cl)n23)c1,KRZJQXCOPREHNO-UHFFFAOYSA-N,0,1,0.875,48,906,368.799,4.205,4,0.529,0.89,1.0,0.8980621616064698,0.9766122952504969,0.8897865122335686,0.9290658625179905,0.9233817079021315
EOS-0-00917,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1C(F)(F)F,GCDUTBJXJMSSEB-UHFFFAOYSA-N,0,1,0.786,48,240,436.796,5.224,4,0.402,0.8,1.0,0.987749297512165,0.9920327599204989,0.9973099856075663,0.9973356863820163,0.9936069323555616
EOS-0-00918,Brc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1,ZNNCBNYUIWWMNL-UHFFFAOYSA-N,0,1,0.736,48,400,396.248,3.57,4,0.516,0.84,1.0,0.9684565828250291,0.9565913919539442,0.49632478925364953,0.5290076074292372,0.737595092865465
EOS-0-00919,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)cc1,CYSDFUCRGZNDGC-UHFFFAOYSA-N,0,1,0.686,90,400,375.215,4.313,4,0.52,0.84,1.0,0.980218970598314,0.9723202659173463,0.8290384483585772,0.8925707627989857,0.9185371119183058
EOS-0-00920,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c(Cl)c1,MDHPCGCJGVXPFU-UHFFFAOYSA-N,0,1,0.836,23,86,454.144,6.026,4,0.37,0.82,1.0,0.9875008566924817,0.995433829072716,0.9817267493660475,0.9957165375916661,0.9900944931807278
EOS-0-00921,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2F)cc1,QBOWKXWZMDIHCR-UHFFFAOYSA-N,0,1,0.821,57,497,462.887,6.011,5,0.31,0.82,1.0,0.995125419779316,0.9982523473373998,0.9769806730176136,0.9847508738263313,0.9887773284901651
EOS-0-00922,COc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1OC(F)(F)F,LLCBUOOAQAUYJB-UHFFFAOYSA-N,0,1,0.775,48,40,430.386,4.32,4,0.435,0.82,1.0,0.9805102460420807,0.9547066684942773,0.9744876978959632,0.9109896511548214,0.9551735658967857
EOS-0-00923,Fc1ccc(CCOc2cncc3nnc(-c4cc(Cl)ccc4Cl)n23)cc1F,DNEPHCSMINSMFN-UHFFFAOYSA-N,0,1,0.768,23,86,421.234,4.998,4,0.455,0.78,1.0,0.9766037283256802,0.9828147488177644,0.9813669385237476,0.9913902405592488,0.9830439140566103
EOS-0-00924,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4F)n23)cc1,PRDHZZBPCKEYJA-UHFFFAOYSA-N,0,1,0.667,48,40,443.36,4.322,4,0.413,0.75,1.0,0.9884432184223151,0.9923326022890823,0.9942344595983825,0.9883575491741484,0.9908419573709821
EOS-0-00925,Fc1c(OC(F)F)ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1F,QIQAGLYBIGLKII-UHFFFAOYSA-N,0,1,0.693,23,240,452.795,4.946,4,0.371,0.77,1.0,0.9911846343636488,0.9939945857035158,0.9909447604687821,0.9911417997395655,0.991816445068878
EOS-0-00926,Fc1cccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,FMXGXPUOMCUEBA-UHFFFAOYSA-N,0,1,0.778,34,254,340.745,4.376,4,0.555,0.92,1.0,0.9028339387293537,0.9824720718250977,0.937204441093825,0.9656551984099787,0.9470414125145638
EOS-0-00927,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nc1,CTZNVEOQBIMULZ-UHFFFAOYSA-N,0,1,0.633,48,305,403.339,3.966,4,0.472,0.82,1.0,0.9805188129668974,0.979807758207114,0.9868840381056816,0.9691505037351792,0.9790902782537181
EOS-0-00928,Clc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(Cl)c1Cl,GESYVECXBYWGSP-UHFFFAOYSA-N,0,1,0.809,23,906,419.699,5.373,4,0.408,0.88,1.0,0.9679768350352957,0.9892570762798986,0.9512798985676102,0.9764152559797136,0.9712322664656295
EOS-0-00929,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cccc(F)c4)n23)c1,BKXLHSOIOHGALV-UHFFFAOYSA-N,0,1,0.836,23,370,386.789,4.344,4,0.512,0.81,1.0,0.947467617024193,0.9844767322321979,0.9525649372901104,0.9691590706599958,0.9634170893016244
EOS-0-00930,COc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1Cl,KIJCZVQZRXSGKE-UHFFFAOYSA-N,0,1,0.743,48,396,398.825,4.214,4,0.486,0.82,1.0,0.9739736824069632,0.9683195120279624,0.9070231649647043,0.8885186073607018,0.9344587416900829
EOS-0-00931,Fc1cc(F)c(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,OKHGYPVLWFSQOK-UHFFFAOYSA-N,0,1,0.743,23,627,422.769,4.623,4,0.348,0.79,1.0,0.9895569186484819,0.9908248235213488,0.9914502090329655,0.995459529847166,0.9918228702624906
EOS-0-00932,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)c(F)c1,HUUQHJSGRGRIEU-UHFFFAOYSA-N,0,1,0.75,23,627,406.314,4.108,4,0.37,0.77,1.0,0.9864985264889315,0.990662051949832,0.9901566033856487,0.9923583030635323,0.9899188712219862
EOS-0-00933,CC(C)(O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,HKTXUWQXRLZCLK-UHFFFAOYSA-N,0,1,0.736,48,378,408.889,4.294,4,0.515,0.84,1.0,0.9825234733739977,0.9424988006305257,0.9460112398053595,0.8925793297238024,0.9409032108834213
EOS-0-00934,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)cc1,KRRFCCMUALNNRJ-UHFFFAOYSA-N,0,1,0.809,83,497,428.442,5.358,5,0.365,0.85,1.0,0.9856075663079981,0.9932663970940991,0.9538242752381605,0.9586131862106778,0.9728278562127339
EOS-0-00935,Cc1ccc(CCOc2cncc3nnc(-c4ccccc4F)n23)cc1,WRRAQOZADBJOBF-UHFFFAOYSA-N,0,1,0.875,48,135,348.381,3.86,4,0.549,0.91,1.0,0.9044102528956206,0.954715235419094,0.8041429648413405,0.7862552258241382,0.8623809197450484
EOS-0-00936,Oc1ccc(Cl)c(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1,ZXQDOZGOHYVKBT-UHFFFAOYSA-N,0,1,0.726,23,86,402.788,4.05,4,0.545,0.73,1.0,0.9735539030909465,0.9683280789527791,0.9552463847577274,0.9610461928586115,0.964543639915016
EOS-0-00937,COc1cc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)ccc1F,YRPPKFVKEOZAJQ-UHFFFAOYSA-N,0,1,0.685,23,370,400.36,3.839,4,0.492,0.7,1.0,0.9881776437529984,0.9735367692413132,0.9532160235761771,0.9301966965937907,0.9612817832910698
EOS-0-00938,Fc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1OC(F)F,AYVXORDDLQKWNF-UHFFFAOYSA-N,0,1,0.806,48,444,438.312,4.926,4,0.382,0.78,1.0,0.9865070934137482,0.9859588102254815,0.9961363169076828,0.9941916249742992,0.9906984613803029
EOS-0-00939,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)cc(C(F)(F)F)c1,DXAYKUMNONOVCI-UHFFFAOYSA-N,0,1,0.797,48,240,402.351,4.571,4,0.459,0.81,1.0,0.9770149407168802,0.9735453361661298,0.9939860187786992,0.9886402576930985,0.983296638338702
EOS-0-00940,Cc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,GJRCMUYHYVIBEY-UHFFFAOYSA-N,0,1,0.85,48,135,330.391,3.721,4,0.559,0.88,1.0,0.9584075800150778,0.8029521622918238,0.6064440408470976,0.5842385717222945,0.7380105887190733
EOS-0-00941,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1OC(F)(F)F,IGZVROGUNFZIRM-UHFFFAOYSA-N,0,1,0.688,48,240,452.795,5.104,4,0.381,0.74,1.0,0.9925896100335824,0.9943201288465492,0.9958022068398328,0.9946456719895826,0.9943394044273868
EOS-0-00942,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cn1,CIKUZHHURXQVEO-UHFFFAOYSA-N,0,1,0.803,48,135,385.349,3.827,4,0.523,0.88,1.0,0.95009766294291,0.947339113151943,0.9590929340004112,0.8968113905832362,0.938335275169625
EOS-0-00943,Fc1ccc(COc2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cc1,PPIRVFRJSKMGLU-UHFFFAOYSA-N,0,1,0.803,79,397,440.478,5.131,5,0.335,0.87,1.0,0.9856161332328147,0.9836543074497979,0.9015060653827702,0.8732523473373998,0.9360072133506956
EOS-0-00944,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(C(F)(F)F)c1,VIOCBRXJVHPDPM-UHFFFAOYSA-N,0,1,0.775,23,240,454.786,5.363,4,0.381,0.73,1.0,0.9915615790555822,0.9894712494003153,0.9988948666986499,0.9989976697964499,0.9947313412377493
EOS-0-00945,Fc1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,CVJHDRMRRLNKIL-UHFFFAOYSA-N,0,1,0.632,23,254,358.735,4.515,4,0.54,0.88,1.0,0.962322664656295,0.9868926050304982,0.9748132410389967,0.9859074086765814,0.9774839798505929
EOS-0-00946,Clc1ccc(Cl)c(-c2nnc3cncc(OCCc4ccccc4)n23)c1,WCQNFOWNSRXWQC-UHFFFAOYSA-N,0,1,0.818,48,906,385.254,4.72,4,0.499,0.89,1.0,0.9383438420944418,0.9644301281611952,0.8863940100061681,0.9371701733945583,0.9315845384140908
EOS-0-00947,COc1ccc(CCOc2cncc3nnc(-c4cccc(F)c4)n23)cc1,GCAXQQXEDGGHRV-UHFFFAOYSA-N,0,1,0.853,48,396,364.38,3.561,4,0.523,0.91,1.0,0.9373243780412583,0.9339490096634911,0.812564251936125,0.7338256459461312,0.8544158213967514
EOS-0-00948,FC(F)(COc1cncc2nnc(-c3ccccc3)n12)c1ccccc1,JJGGXNXBZOLVSE-UHFFFAOYSA-N,0,1,0.703,48,135,352.344,3.962,4,0.545,0.83,1.0,0.9617058460694949,0.9412137619080255,0.9789853334247138,0.9641131519429785,0.9615045233363032
EOS-0-00949,CCOCc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,PVRDROJVUUDBHS-UHFFFAOYSA-N,0,1,0.821,48,378,392.434,4.088,4,0.452,0.84,1.0,0.9523164964704269,0.9745905009937633,0.8179100130217257,0.7442173257487492,0.8722585840586663
EOS-0-00950,Fc1ccc(CCOc2cncc3nnc(-c4cc(F)c(F)cc4F)n23)cc1F,CSDCOWZFTVCVIE-UHFFFAOYSA-N,0,1,0.743,23,627,406.314,4.108,4,0.37,0.78,1.0,0.9869782742786649,0.9859673771502981,0.9914587759577822,0.9934891371393325,0.9894733911315194
EOS-0-00951,COc1cccc(CCOc2cncc3nnc(-c4ccccc4)n23)c1,UCXDUSRCVDCRGL-UHFFFAOYSA-N,0,1,0.829,48,135,346.39,3.421,4,0.535,0.89,1.0,0.953010417380577,0.8564354739222808,0.6064526077719142,0.49857789048043316,0.7286190973888013
EOS-0-00952,COc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cc1Cl,MJLCVUHZLUXZJO-UHFFFAOYSA-N,0,1,0.771,48,396,380.835,4.075,4,0.504,0.89,1.0,0.9684651497498458,0.9167894592557055,0.7915410184360222,0.7495373860599,0.8565832533753683
EOS-0-00953,Clc1ccc(-c2nnc3cncc(OCCc4ccc5ccccc5n4)n23)cc1,CABXTSKEZWFCEG-UHFFFAOYSA-N,0,1,0.617,91,660,401.857,4.614,5,0.43,0.87,1.0,0.9805273798917141,0.9894798163251319,0.6945634295113426,0.7887482009457885,0.8633297066684943
EOS-0-00954,FC(F)(F)Oc1cccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1,CTFDEQRNDAFMGX-UHFFFAOYSA-N,0,1,0.716,48,40,434.805,4.965,4,0.429,0.88,1.0,0.9813241038996642,0.9853505585634981,0.9913217051607155,0.9867126996093483,0.9861772668083064
EOS-0-00955,Fc1ccccc1COc1cncc2nnc(-c3ccccc3)n12,GPNTXTZWOHINCX-UHFFFAOYSA-N,0,1,0.676,48,135,320.327,3.509,4,0.577,0.92,1.0,0.9665033239668289,0.9383524090192584,0.8325166198341444,0.8502672880542801,0.896909910218628
EOS-0-00956,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)c1,VSSMEPKEROVZGW-UHFFFAOYSA-N,0,1,0.803,57,497,446.432,5.497,5,0.346,0.77,1.0,0.9899252964155987,0.9959478445617161,0.977614625454047,0.9800476321019806,0.9858838496333355
EOS-0-00957,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1C(F)(F)F,FHDXJAJRYSORAZ-UHFFFAOYSA-N,0,1,0.767,48,240,434.368,5.018,4,0.414,0.79,1.0,0.9860273456240148,0.9851106846686314,0.9977640326228497,0.995074018230416,0.990994020286478
EOS-0-00958,Fc1ccc(Oc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(F)c1,TXPFOGKFDDPMTN-UHFFFAOYSA-N,0,1,0.608,48,254,392.287,4.881,4,0.467,0.84,1.0,0.9841169213898979,0.9840483859913646,0.9993060790898499,0.9991433075183332,0.9916536734973614
EOS-0-00959,Fc1cc(OC(F)(F)F)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,KWMASZSXIZOPDV-UHFFFAOYSA-N,0,1,0.722,48,240,452.795,5.104,4,0.381,0.78,1.0,0.9904393119045988,0.9937033102597491,0.9956737029675827,0.994919813583716,0.9936840346789116
EOS-0-00960,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)ccc1OC(F)(F)F,BVAXMPGTORJGHV-UHFFFAOYSA-N,0,1,0.73,48,40,448.376,4.459,4,0.389,0.81,1.0,0.9904478788294154,0.9830888904118977,0.9891457062572819,0.9610547597834281,0.9809343088205058
EOS-0-00961,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccccc4F)n23)c1,LFGYQZRXJIDDIZ-UHFFFAOYSA-N,0,1,0.818,23,370,370.334,3.83,4,0.536,0.78,1.0,0.9562401480364608,0.9741107532040298,0.9465509560688096,0.9562658488109108,0.9582919265300527
EOS-0-00962,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4Cl)n23)cc1,IUVNCSAWMXJQQH-UHFFFAOYSA-N,0,1,0.791,48,240,436.796,5.224,4,0.402,0.79,1.0,0.985119251593448,0.9930522239736824,0.9976355287505997,0.9977983003221164,0.9934013261599617
EOS-0-00963,CC(Oc1cncc2nnc(-c3ccc(Cl)cc3)n12)c1ccccc1Cl,HUUBUEZHZWJCBE-UHFFFAOYSA-N,0,1,0.639,48,17,385.254,5.238,4,0.482,0.83,1.0,0.9795764512370639,0.9889486669864985,0.9735110684668631,0.9819152217120143,0.98098785210061
EOS-0-00964,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)c(Cl)c1,JBTZFCMIOVFMFI-UHFFFAOYSA-N,0,1,0.775,23,281,387.777,3.739,4,0.488,0.79,1.0,0.9658950723048455,0.977126310739497,0.9025769309848537,0.9239171407031732,0.9423788636830923
EOS-0-00965,Fc1cc(Cl)cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1,RUYLVEMARMIRPW-UHFFFAOYSA-N,0,1,0.875,23,370,403.244,4.859,4,0.478,0.83,1.0,0.9409995887876088,0.9807586868617642,0.952573504214927,0.9764238229045302,0.9626889006922076
EOS-0-00966,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccccc4F)n23)c1,MZJVJBXJIAAGHM-UHFFFAOYSA-N,0,1,0.743,23,906,370.334,3.83,4,0.536,0.83,1.0,0.9568998012473443,0.9760897128366801,0.9500633952436434,0.9592814063463779,0.9605835789185113
EOS-0-00967,Fc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1F,ACGYDOGPYKOPGL-UHFFFAOYSA-N,0,1,0.703,90,400,353.332,3.086,4,0.552,0.8,1.0,0.9641559865670619,0.9603437050236447,0.7762661914879035,0.7840620930710712,0.8712069940374204
EOS-0-00968,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(F)c(Cl)c3F)n12,NEFYENBLFTWCRE-UHFFFAOYSA-N,0,1,0.746,23,906,404.779,4.484,4,0.46,0.82,1.0,0.9754300596257968,0.9887173600164485,0.9789939003495305,0.9850849838941813,0.9820565759714893
EOS-0-00969,Fc1ccccc1CCOc1cncc2nnc(-c3ccccc3Cl)n12,UIFREMIGOJXNLR-UHFFFAOYSA-N,0,1,0.831,48,906,368.799,4.205,4,0.529,0.9,1.0,0.9059265985881708,0.9704098416832294,0.8897950791583853,0.9278664930436571,0.9234995031183606
EOS-0-00970,CC(Oc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12)c1ccccc1,ZVFPPHKNJAZNQN-UHFFFAOYSA-N,0,1,0.718,48,40,400.36,4.83,4,0.48,0.74,1.0,0.9887858954149819,0.9603522719484614,0.9944229319443493,0.9837656774724145,0.9818316941950518
EOS-0-00971,Fc1cccc(CCOc2cncc3nnc(-c4cccc(OC(F)(F)F)c4)n23)c1,YHWYAINXPZPKGQ-UHFFFAOYSA-N,0,1,0.716,48,40,418.35,4.451,4,0.433,0.83,1.0,0.9789082311013638,0.9830974573367144,0.9912274689877322,0.9821722294565143,0.9838513467205812
EOS-0-00972,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCCCc4ccccc4)n23)cc1,XWZWPHNBXWRDJT-UHFFFAOYSA-N,0,1,0.747,48,40,428.414,5.092,4,0.366,0.83,1.0,0.9908676581454321,0.9661949146734288,0.9413936673291755,0.9074086765814543,0.9514662291823727
EOS-0-00973,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cc1F,WBBHTYPCXCMWHI-UHFFFAOYSA-N,0,1,0.821,57,497,462.887,6.011,5,0.31,0.78,1.0,0.9965132615996162,0.9986721266534165,0.9794222465903639,0.985093550818998,0.9899252964155986
EOS-0-00974,FC(F)Oc1ccc(Cl)c(-c2nnc3cncc(OCCc4ccccc4)n23)c1,MQKKAROOTGTNHX-UHFFFAOYSA-N,0,1,0.75,48,40,416.815,4.668,4,0.438,0.82,1.0,0.9684737166746624,0.977588924679597,0.9595298471660613,0.957499485984511,0.9657729936262078
EOS-0-00975,Cn1ccc2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)ccc21,LPKPGWRSAMJKCB-UHFFFAOYSA-N,0,1,0.805,91,948,405.408,4.183,5,0.44,0.75,1.0,0.9739822493317799,0.9494208758823932,0.9265471866218902,0.9109982180796381,0.9402371324789254
EOS-0-00976,COc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,UIAMALSRPKLDGH-UHFFFAOYSA-N,0,1,0.85,48,444,384.342,4.194,4,0.496,0.85,1.0,0.9665118908916456,0.9128144061407717,0.9546038653964772,0.8993300664793366,0.9333150572270578
EOS-0-00977,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cn1,VAGZLYKKSHACQE-UHFFFAOYSA-N,0,1,0.775,23,281,404.232,4.254,4,0.466,0.79,1.0,0.9684822835994791,0.985119251593448,0.9037420327599205,0.9387636214104585,0.9490267973408265
EOS-0-00978,Cc1cccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,LHQHTYSFWQWJKA-UHFFFAOYSA-N,0,1,0.797,48,135,348.381,3.86,4,0.549,0.82,1.0,0.9492409704612432,0.9324669316702077,0.8041515317661572,0.7887567678706051,0.8686540504420533
EOS-0-00979,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)cc1,BPRRYLUBAQITJT-UHFFFAOYSA-N,0,1,0.71,48,444,454.33,5.288,4,0.384,0.88,1.0,0.9899338633404153,0.9766208621753135,0.9998629292029333,0.9996059214584333,0.9915058940442739
EOS-0-00980,Fc1ccccc1-c1nnc2cncc(OCCc3ccc(C(F)(F)F)cc3)n12,JTFNAAFOQIADTH-UHFFFAOYSA-N,0,1,0.862,48,240,402.351,4.571,4,0.459,0.87,1.0,0.9546209992461107,0.9780943732437805,0.9946028373654993,0.9902165718593654,0.979383695428689
EOS-0-00981,Cc1ccccc1CCOc1cncc2nnc(-c3ccccc3)n12,YSJOGVYSAONYPF-UHFFFAOYSA-N,0,1,0.817,48,135,330.391,3.721,4,0.559,0.91,1.0,0.9537900075388939,0.8534627510108971,0.5840329655266946,0.5554708381879241,0.7366891405661025
EOS-0-00982,Fc1ccc(-c2nnc3cncc(OCCCc4ccc(F)c(F)c4)n23)c(Cl)c1,OKFUMXSNSUKWBB-UHFFFAOYSA-N,0,1,0.68,23,86,418.806,4.874,4,0.419,0.71,1.0,0.9862757864436982,0.9920413268453157,0.9663234185456788,0.979473648139264,0.9810285449934891
EOS-0-00983,Fc1ccc(F)c(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,YXUOTCLEYGRFTC-UHFFFAOYSA-N,0,1,0.614,23,254,358.735,4.515,4,0.54,0.9,1.0,0.9611147282571448,0.9889572339113152,0.9752672880542801,0.9861901171955315,0.9778823418545679
EOS-0-00984,N#Cc1ccc(Oc2cncc3nnc(-c4ccc(F)cc4)n23)c(F)c1,YIUJKOWBMJXPFV-UHFFFAOYSA-N,0,1,0.589,48,254,349.3,3.733,4,0.563,0.9,1.0,0.9703927078335961,0.9668288671098623,0.9687649921184291,0.9706240148036461,0.9691526454663835
EOS-0-00985,Fc1ccc(CCOc2cncc3nnc(-c4cc(F)cc(Br)c4)n23)cc1,CYOJXUABNIUJKQ-UHFFFAOYSA-N,0,1,0.873,23,370,431.24,4.454,4,0.469,0.83,1.0,0.9458570351586595,0.9735539030909465,0.9406740456445755,0.9490781988897266,0.9522907956959771
EOS-0-00986,Fc1ccccc1CCOc1cncc2nnc(-c3ccccc3F)n12,WLNXZXMRBIPKOO-UHFFFAOYSA-N,0,1,0.831,48,906,352.344,3.691,4,0.55,0.86,1.0,0.9150418065931053,0.957448084435611,0.8885614419847851,0.907417243506271,0.917117144129943
EOS-0-00987,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)c(F)c1,AOZKYCXGQMNRLQ-UHFFFAOYSA-N,0,1,0.881,79,650,428.442,5.358,5,0.365,0.79,1.0,0.9856247001576314,0.9898567610170653,0.9434154615859092,0.9497464190254267,0.9671608354465081
EOS-0-00988,Fc1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1,KGPIOJYCJZNSGQ-UHFFFAOYSA-N,0,1,0.632,23,254,342.28,4.001,4,0.565,0.89,1.0,0.9584161469398944,0.9755414296484134,0.9744962648207799,0.9804674114179974,0.9722303132067712
EOS-0-00989,Brc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,FGLXGKAVCRHCFL-UHFFFAOYSA-N,0,1,1.0,48,135,395.26,4.175,4,0.509,0.9,1.0,0.7993454869440065,0.9574566513604277,0.705049345486944,0.7417243506270988,0.8008939586046192
EOS-0-00990,Clc1ccc(CCOc2cncc3nnc(-c4ccccc4Br)n23)cc1,VPDPLGKYQDVMJE-UHFFFAOYSA-N,0,1,0.889,48,906,429.705,4.829,4,0.456,0.86,1.0,0.9474761839490097,0.97459906791858,0.8596480707285313,0.9041532451511205,0.9214691419368104
EOS-0-00991,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c1F,VIOGMAKEWWSTCA-UHFFFAOYSA-N,0,1,0.764,79,650,428.442,5.358,5,0.365,0.81,1.0,0.9917843191008155,0.9910989651154821,0.95007196216846,0.9509800561990268,0.9709838256459461
EOS-0-00992,COc1ccccc1Oc1cncc2nnc(-c3ccc(F)cc3)n12,PRIAEHSTKPEMLS-UHFFFAOYSA-N,0,1,0.629,48,254,336.326,3.731,4,0.568,0.91,1.0,0.9669745048317456,0.9339575765883079,0.832525186758961,0.7598433966143513,0.8733251661983414
EOS-0-00993,N=c1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)c[nH]1,MNYBEAOFBQDGPH-UHFFFAOYSA-N,0,1,0.712,48,231,350.357,2.359,4,0.578,0.76,1.0,0.9830032211637311,0.9185114111438558,0.6357857583441848,0.5991878555273799,0.7841220615447878
EOS-0-00994,Clc1ccc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1,IEBYHZRCQRREDT-UHFFFAOYSA-N,0,1,0.676,90,400,352.785,2.856,4,0.549,0.85,1.0,0.944991775752176,0.9798163251319306,0.3895038037146186,0.5087382633130012,0.7057625419779316
EOS-0-00995,COc1cc(F)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,JNIKIMXRWOVOSO-UHFFFAOYSA-N,0,1,0.768,48,231,398.825,4.214,4,0.486,0.85,1.0,0.9684908505242958,0.9397488177643754,0.8921938181070523,0.8786752107463505,0.9197771742855185
EOS-0-00996,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)c(F)c4)n23)nc1,UWTFLLTXTYLPFG-UHFFFAOYSA-N,0,1,0.696,90,305,419.338,3.687,4,0.426,0.78,1.0,0.9757727366184634,0.9814440408470976,0.9525820711397437,0.9335463641971078,0.9608363032006031
EOS-0-00997,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc(C(F)(F)F)c1,CKVLVHATQHVKMA-UHFFFAOYSA-N,0,1,0.768,48,240,436.796,5.224,4,0.402,0.82,1.0,0.9838770474950311,0.9865927626619149,0.9977725995476664,0.9978582687958331,0.9915251696251114
EOS-0-00998,Fc1ccc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)cc1,FNYDIFNOOCQMTN-UHFFFAOYSA-N,0,1,0.778,34,254,340.745,4.376,4,0.555,0.91,1.0,0.8995099719004866,0.9771348776643136,0.9372130080186416,0.9656637653347955,0.9448804057295594
EOS-0-00999,Oc1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)cc1Cl,OCLBSBAIEIOOLV-UHFFFAOYSA-N,0,1,0.577,23,17,388.761,4.008,4,0.572,0.78,1.0,0.9786169556575971,0.9741193201288465,0.9728000137070797,0.9768521691453635,0.9755971146597218
EOS-0-01000,Fc1ccc(-c2nnc3cncc(Oc4cccc(C(F)(F)F)c4)n23)cc1F,XDACGOQHDCQIJD-UHFFFAOYSA-N,0,1,0.6,23,254,392.287,4.881,4,0.467,0.84,1.0,0.982232197930231,0.9857103694057981,0.9993917483380166,0.9993232129394832,0.9916643821533823
EOS-0-01001,CC(C)Oc1cc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)ccc1F,UBGNKSRCUUZNGN-UHFFFAOYSA-N,0,1,0.797,48,231,410.424,4.478,4,0.45,0.8,1.0,0.9776831608525803,0.972328832842163,0.9315502707148242,0.8745373860599,0.9390249126173669
EOS-0-01002,Clc1cccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,LUFNQQYNZZSJFK-UHFFFAOYSA-N,0,1,0.824,48,906,385.254,4.72,4,0.499,0.87,1.0,0.9217068741004729,0.9781029401685971,0.9015146323075869,0.9497549859502433,0.937769858131725
EOS-0-01003,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)c4)n23)cc1,DOBSTHULNJNUMN-UHFFFAOYSA-N,0,1,0.694,48,444,454.33,5.288,4,0.384,0.85,1.0,0.9928894524021658,0.9798248920567473,0.9998457953533,0.9995545199095333,0.9930286649304365
EOS-0-01004,COc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4F)n23)cc1,WEYXLYDXHOGILF-UHFFFAOYSA-N,0,1,0.701,48,40,448.376,4.459,4,0.389,0.78,0.999,0.9786255225824139,0.9853591254883147,0.9900109656637653,0.965158316770612,0.9797884826262765
EOS-0-01005,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)c4)n23)cc1,RBFNVXPRQLDSBY-UHFFFAOYSA-N,0,1,0.739,48,240,453.251,5.738,4,0.387,0.76,1.0,0.9932064286203824,0.9941316565005826,0.9979353711191831,0.9985607566307998,0.995958553217737
EOS-0-01006,Fc1ccc(COc2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)cc1F,VTPTYZGWMDMOMZ-UHFFFAOYSA-N,0,1,0.765,48,240,406.314,4.667,4,0.463,0.8,1.0,0.9798762936056473,0.9746076348433966,0.9992032759920499,0.9988348982249332,0.9881305256665067
EOS-0-01007,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)nc1,INIDSVCWEOXUSO-UHFFFAOYSA-N,0,1,0.753,79,824,411.44,4.614,5,0.408,0.81,1.0,0.9847508738263313,0.9690305667877459,0.8041600986909739,0.7978462751010897,0.8889469536015352
EOS-0-01008,COc1cccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1,KKIGZPVYKAHCNY-UHFFFAOYSA-N,0,1,0.863,48,948,382.37,3.7,4,0.509,0.79,1.0,0.9440922486464258,0.9203704338290727,0.9164467822630389,0.8668528544993489,0.9119405798094715
EOS-0-01009,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1OC(F)(F)F,WANUULKECCCNJM-UHFFFAOYSA-N,0,1,0.73,48,40,464.831,4.973,4,0.384,0.81,1.0,0.9915701459803988,0.9851278185182647,0.9892827770543485,0.9691676375848125,0.9837870947844561
EOS-0-01010,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1,HSSVTYBEFWHPIP-UHFFFAOYSA-N,0,1,0.69,48,305,401.348,3.706,4,0.49,0.8,1.0,0.9747875402645466,0.9690391337125626,0.967428551847029,0.9228719758755397,0.9585318004249195
EOS-0-01011,Fc1ccccc1CCOc1cncc2nnc(-c3cccc(C(F)(F)F)c3)n12,HBCDIUKPCCZSAG-UHFFFAOYSA-N,0,1,0.775,48,240,402.351,4.571,4,0.459,0.81,1.0,0.9708381879240627,0.9760982797614968,0.9947998766362827,0.9909190596943321,0.9831638510040436
EOS-0-01012,COc1ccccc1OCCOc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,XPRFDOPGCFUYML-UHFFFAOYSA-N,0,1,0.725,48,40,446.385,4.156,4,0.376,0.82,1.0,0.9884517853471317,0.9594441779178946,0.9719775889246796,0.889803646083202,0.952419299568227
EOS-0-01013,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,CUMWUGGRTQVYDJ-UHFFFAOYSA-N,0,1,0.676,23,400,387.777,3.739,4,0.522,0.8,1.0,0.9665204578164622,0.9798334589815639,0.8683434994174491,0.9053783153999041,0.9300189329038449
EOS-0-01014,c1ccc(CCCOc2cncc3nnc(-c4ccccc4)n23)cc1,CFIASCSNYRTUJX-UHFFFAOYSA-N,0,1,0.803,48,135,330.391,3.803,4,0.505,0.88,1.0,0.9617144129943116,0.8471831951202796,0.4259132341854568,0.48929134397916524,0.6810255465698033
EOS-0-01015,COc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,LLGQVBGPUDUYQL-UHFFFAOYSA-N,0,1,0.708,48,444,402.332,4.491,4,0.49,0.83,1.0,0.977383318483997,0.9556490302241107,0.9895397847988486,0.9592899732711946,0.9704655266945377
EOS-0-01016,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1,CPUZCUMYWBEIMB-UHFFFAOYSA-N,0,1,0.743,48,396,365.368,2.956,4,0.489,0.86,1.0,0.9699215269686793,0.929391405661024,0.6784147762319238,0.5520012336371736,0.7824322356247002
EOS-0-01017,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(SC(F)(F)F)cc3)n12,NWUAQDAAVFQMHV-UHFFFAOYSA-N,0,1,0.781,48,40,434.418,5.164,4,0.31,0.82,1.0,0.9928980193269824,0.9882804468507984,0.9927695154547324,0.9867212665341649,0.9901673120416694
EOS-0-01019,Oc1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,UHJXCQAJQZTWGG-UHFFFAOYSA-N,0,1,0.616,13,254,356.744,4.082,4,0.598,0.84,1.0,0.9623312315811117,0.97506168185868,0.9406826125693921,0.9528904804331437,0.9577415016105819
EOS-0-01020,Fc1ccc(-c2nnc3cncc(OCCc4cccs4)n23)c(F)c1,RTBGSWBRGRMWMD-UHFFFAOYSA-N,0,1,0.685,90,400,358.373,3.753,4,0.545,0.86,1.0,0.9636162703036119,0.9653210883421287,0.7762747584127202,0.8107566307998081,0.8789921869645672
EOS-0-01021,Fc1ccc(CCOc2cncc3nnc(-c4ccc(SC(F)(F)F)cc4)n23)cc1,TVISITXCRXQREW-UHFFFAOYSA-N,0,1,0.821,48,40,434.418,5.164,4,0.31,0.85,1.0,0.989942430265232,0.989865327941882,0.9933092317181824,0.987466588993215,0.9901458947296279
EOS-0-01022,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4OC(F)F)n23)cc1,JKDLKPKDKNGJOH-UHFFFAOYSA-N,0,1,0.736,48,240,418.35,4.292,4,0.419,0.78,1.0,0.9805359468165308,0.9775974916044137,0.9810756630799808,0.9759954766636968,0.9788011445411555
EOS-0-01023,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,WRXICQZFSFMLBS-UHFFFAOYSA-N,0,1,0.794,23,370,437.689,5.512,4,0.413,0.78,1.0,0.9822407648550476,0.992521074635049,0.9790024672743473,0.9931721609211157,0.9867341169213899
EOS-0-01024,FC(F)(COc1cncc2nnc(-c3ccc(Cl)cc3)n12)c1ccccn1,FWEXDYGJZNQOST-UHFFFAOYSA-N,0,1,0.605,48,400,387.777,4.011,4,0.517,0.83,1.0,0.9716691796312795,0.9810927969296142,0.9712408333904462,0.954869440065794,0.9697180625042835
EOS-0-01025,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1Cl,JOOVOFXDPNBEGO-UHFFFAOYSA-N,0,1,0.671,90,400,404.232,4.254,4,0.498,0.77,1.0,0.9786340895072305,0.9776060585292303,0.8932818175587691,0.9345229936262079,0.9460112398053594
EOS-0-01026,COc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,MDUXLWMEVOBYSY-UHFFFAOYSA-N,0,1,0.783,48,396,380.835,4.075,4,0.504,0.89,1.0,0.9591272016996779,0.9339661435131246,0.8179185799465424,0.7840706599958879,0.8737706462888082
EOS-0-01027,FC(F)Oc1ccc(-c2nnc3cncc(Oc4cccc(OC(F)(F)F)c4)n23)cc1,YBWNTXQGQRSYOB-UHFFFAOYSA-N,0,1,0.8,48,444,438.312,5.084,4,0.391,0.83,1.0,0.9825320402988144,0.977614625454047,0.9983465835103831,0.9957251045164828,0.9885545884449318
EOS-0-01028,Fc1cccc(CCOc2cncc3nnc(-c4cc(F)c(F)cc4F)n23)c1,GGJYIKJHSSHVEA-UHFFFAOYSA-N,0,1,0.712,23,86,388.324,3.969,4,0.384,0.8,1.0,0.9802275375231307,0.9836628743746145,0.9790110341991639,0.9819237886368309,0.9812063086834351
EOS-0-01029,Fc1ccc(F)c(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)c1,WZVVQYYGAHOBTG-UHFFFAOYSA-N,0,1,0.792,57,485,464.422,5.636,5,0.306,0.74,1.0,0.9932149955451991,0.997241450209033,0.9886231238434652,0.9909276266191488,0.9925017990542115
EOS-0-01030,COc1cccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,QAQAXSLVVXAEKT-UHFFFAOYSA-N,0,1,0.764,48,135,364.38,3.561,4,0.523,0.88,1.0,0.9554605578781441,0.914921869645672,0.8022582413816737,0.7281457747926804,0.8501966109245425
EOS-0-01031,Fc1ccc(-c2nnc3cncc(Oc4c(F)cccc4F)n23)cc1,JNRWZXUSLGNBNI-UHFFFAOYSA-N,0,1,0.627,23,254,342.28,4.001,4,0.565,0.84,1.0,0.9630422863408951,0.979396545815914,0.9699386608183127,0.97516448495648,0.9718854944829003
EOS-0-01032,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1,MBDLIZNISCAQLU-UHFFFAOYSA-N,0,1,0.822,48,231,413.796,4.114,4,0.348,0.77,1.0,0.9899509971900486,0.9128229730655884,0.7832825029127545,0.6523798917140703,0.8346090912206154
EOS-0-01033,Fc1ccccc1CCOc1cncc2nnc(-c3cc(Cl)ccc3F)n12,KNYNXEMDNQNGQO-UHFFFAOYSA-N,0,1,0.757,23,906,386.789,4.344,4,0.512,0.86,1.0,0.9597868549105613,0.9761068466863135,0.9512884654924268,0.9686193543965458,0.9639503803714619
EOS-0-01034,FC(F)(F)c1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1Cl,MRAVJURKVXRZHJ-UHFFFAOYSA-N,0,1,0.679,90,400,419.794,4.48,4,0.477,0.81,1.0,0.9735624700157631,0.9798420259063807,0.9843396614351313,0.9686279213213624,0.9765930196696594
EOS-0-01035,Clc1cc(Cl)cc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,LBCVDNQXXZQWEV-UHFFFAOYSA-N,0,1,1.0,48,135,385.254,4.72,4,0.499,0.87,1.0,0.8178243437735591,0.9644386950860119,0.8875505448564184,0.9345315605510246,0.9010862860667535
EOS-0-01036,Fc1ccc(Oc2cncc3nnc(-c4ccccc4)n23)cc1OC(F)F,YBCHJTHKEUIRDG-UHFFFAOYSA-N,0,1,0.69,48,254,372.306,4.324,4,0.522,0.83,1.0,0.9647042697553286,0.9556575971489274,0.9748218079638133,0.9651668836954287,0.9650876396408745
EOS-0-01037,COc1ccnc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,QGEWCPDGWGYZKE-UHFFFAOYSA-N,0,1,0.701,48,305,431.374,3.715,4,0.441,0.78,1.0,0.9719861558494962,0.9690477006373792,0.9494551435816599,0.8502758549790967,0.9351912137619081
EOS-0-01038,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1,BTCYCMCBPODTQR-UHFFFAOYSA-N,0,1,0.903,83,497,461.352,6.387,5,0.294,0.86,1.0,0.9932235624700158,0.997344253306833,0.9580906037968611,0.97477897333973,0.98085934822836
EOS-0-01039,Fc1ccc(CCOc2cncc3nnc(-c4ccc5c(c4)OC(F)(F)O5)n23)cc1,JTMIAXHEJJCSSV-UHFFFAOYSA-N,0,1,0.74,48,40,414.343,3.873,5,0.494,0.62,1.0,0.9908762250702488,0.9668374340346789,0.9875779590158317,0.9711123295181961,0.9791009869097388
EOS-0-01040,Fc1ccc(F)c(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,RFKXRPBLZQVTLE-UHFFFAOYSA-N,0,1,0.757,23,906,370.334,3.83,4,0.536,0.85,1.0,0.956908368172161,0.9662034815982455,0.9505945445822768,0.960001028030978,0.9584268555959153
EOS-0-01041,Fc1ccc(CCOc2cncc3nnc(-c4cccc(C(F)(F)F)c4Cl)n23)cc1F,JAKBRCWEAIBJKJ-UHFFFAOYSA-N,0,1,0.75,23,240,454.786,5.363,4,0.381,0.81,1.0,0.9904564457542321,0.9866013295867315,0.9989034336234666,0.9989205674730999,0.9937204441093825
EOS-0-01042,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4C(F)(F)F)n23)cc1F,QYTMNSYMHKJMED-UHFFFAOYSA-N,0,1,0.775,48,240,420.341,4.71,4,0.439,0.81,1.0,0.977691727777397,0.9728342814063464,0.9971729148104996,0.9953224590500994,0.9857553457610857
EOS-0-01043,Fc1ccc(-c2nnc3cncc(OCCc4cc(Br)cs4)n23)cc1,ABXMKMHSOURMEM-UHFFFAOYSA-N,0,1,0.696,90,400,419.279,4.376,4,0.482,0.82,1.0,0.9761925159344802,0.9781115070934138,0.7151154821465286,0.7673994243026523,0.8592047323692688
EOS-0-01044,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4OC(F)F)n23)cc1,UBYFFAKYKGVECU-UHFFFAOYSA-N,0,1,0.671,48,101,441.825,4.539,4,0.418,0.78,1.0,0.982540607223631,0.9836714412994312,0.9769892399424303,0.972637242135563,0.9789596326502639
EOS-0-01045,Fc1ccc(-c2nnc3cncc(OCCCc4cccnc4)n23)cc1,VUKLXKZDVNPYRZ-UHFFFAOYSA-N,0,1,0.667,90,400,349.369,3.337,4,0.5,0.87,1.0,0.9754386265506134,0.9526334726886437,0.544667945994106,0.6021520115139469,0.7687230141868274
EOS-0-01046,Fc1ccc(-c2nnc3cncc(Oc4cccc(F)c4)n23)cc1,YBJWFWIXFXYPGH-UHFFFAOYSA-N,0,1,0.778,34,254,324.29,3.862,4,0.574,0.91,1.0,0.9044188198204373,0.94942944280721,0.9364077170858749,0.9535672674936605,0.9359558118017957
EOS-0-01047,Cc1cccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1,NDUCOFJLHSEUOT-UHFFFAOYSA-N,0,1,0.851,48,948,366.371,3.999,4,0.536,0.76,1.0,0.9492495373860599,0.9185199780686725,0.920053457610856,0.9041618120759373,0.9229961962853814
EOS-0-01048,Fc1cc(Br)cc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,XVQYNFPWPCWWPV-UHFFFAOYSA-N,0,1,1.0,48,135,413.25,4.314,4,0.489,0.86,1.0,0.8356606812418614,0.9494380097320266,0.8505157288739634,0.8702710575011994,0.8764713693372628
EOS-0-01049,COc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cc1,PTCWXERRENXRGP-UHFFFAOYSA-N,0,1,0.871,48,576,346.39,3.421,4,0.535,0.93,1.0,0.9420618874648756,0.6716126379274896,0.6267647865122336,0.5056370365293674,0.6865190871084916
EOS-0-01050,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccs4)n23)cc1,FILUNDIIQPGAKB-UHFFFAOYSA-N,0,1,0.968,90,305,374.372,4.033,4,0.51,0.85,1.0,0.881836406003701,0.9369645671989583,0.9058923308889041,0.8652936741827154,0.8974967445685696
EOS-0-01051,Oc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(F)cc3)n12,DFGFEDYVTIWURK-UHFFFAOYSA-N,0,1,0.606,23,254,356.744,4.082,4,0.598,0.83,1.0,0.9708467548488795,0.967531354944829,0.9291772325406072,0.9445634295113426,0.9530296929614146
EOS-0-01052,Fc1ccc(CCOc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)cc1,PZJKDYSJWGJWKV-UHFFFAOYSA-N,0,1,0.739,23,370,388.324,3.969,4,0.384,0.79,1.0,0.9808015214858474,0.9771434445891303,0.9785055856349805,0.9810842300047975,0.979383695428689
EOS-0-01053,Fc1cccc(Oc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1,FCNSCGVSOJUJBA-UHFFFAOYSA-N,0,1,0.716,23,254,342.28,4.001,4,0.565,0.89,1.0,0.9282862723596738,0.9711380302926461,0.9755585634980467,0.9821807963813309,0.9642909156329245
EOS-0-01054,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)c1,XRFMIEDWCZMPRL-UHFFFAOYSA-N,0,1,0.694,23,240,438.331,4.849,4,0.418,0.72,1.0,0.9904650126790487,0.9877578644369817,0.9989120005482832,0.9985693235556165,0.9939260503049825
EOS-0-01055,Fc1ccc2cccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2c1,BJVOPGSANATXMF-UHFFFAOYSA-N,0,1,0.692,88,485,420.394,4.983,5,0.402,0.75,1.0,0.9844595983825646,0.9880148721814818,0.9719861558494962,0.9784027825371805,0.9807158522376808
EOS-0-01056,Fc1ccc2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2c1,MUAUZLDLHVVCLJ-UHFFFAOYSA-N,0,1,0.693,57,397,418.859,5.359,5,0.385,0.85,1.0,0.9822493317798643,0.9892656432047152,0.9400229593585087,0.9635477349050785,0.9687714173120416
EOS-0-01057,Fc1cnc2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2c1,KYKBJGZVQANDJR-UHFFFAOYSA-N,0,1,0.709,88,781,421.382,4.378,5,0.422,0.75,1.0,0.984759440751148,0.969724487697896,0.9482129394832431,0.9517339455828936,0.9636077033787952
EOS-0-01058,Fc1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1,OLDVTOXBDYYAQZ-UHFFFAOYSA-N,0,1,0.632,23,254,358.735,4.515,4,0.54,0.88,1.0,0.9584247138647112,0.9781200740182304,0.9745048317455967,0.9853162908642313,0.9740914776231924
EOS-0-01059,O=[N+]([O-])c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1Cl,YECOPKYUCCQTSW-UHFFFAOYSA-N,0,1,0.775,48,231,430.251,4.628,4,0.327,0.83,1.0,0.990739154273182,0.9594527448427113,0.7622592694126517,0.715106915221712,0.8568895209375642
EOS-0-01060,Fc1cc(-c2nnc3cncc(Oc4ccccc4)n23)ccc1Cl,BMOFZAZHLKYGBR-UHFFFAOYSA-N,0,1,0.662,48,254,340.745,4.376,4,0.555,0.87,1.0,0.9402371324789254,0.9750702487834967,0.9353111507093413,0.9575080529093277,0.9520316462202728
EOS-0-01061,Fc1ccc(CCOc2cncc3nnc(-c4cc(Cl)cc(C(F)(F)F)c4)n23)cc1,GFGFCECUMDPZBM-UHFFFAOYSA-N,0,1,0.768,48,240,436.796,5.224,4,0.402,0.8,1.0,0.9816753478171476,0.9857189363306148,0.9976440956754163,0.997806867246933,0.9907113117675279
EOS-0-01062,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(Br)c1,XXDUGFJKBDPWBR-UHFFFAOYSA-N,0,1,0.775,48,40,479.256,5.074,4,0.387,0.86,1.0,0.9780258378452471,0.9840569529161812,0.9861387156466315,0.9706325817284628,0.9797135220341306
EOS-0-01063,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1C,KOJGAGLTGUMJSD-UHFFFAOYSA-N,0,1,0.767,48,948,396.397,4.008,4,0.493,0.78,1.0,0.9659036392296622,0.9369731341237749,0.9182372695497224,0.8411092454252621,0.9155558220821054
EOS-0-01064,N#Cc1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1,VWAJOJLJGOLQAF-UHFFFAOYSA-N,0,1,0.581,48,254,349.3,3.733,4,0.563,0.89,1.0,0.9684994174491125,0.9584418477143445,0.9682424097046124,0.9691762045096293,0.9660899698444246
EOS-0-01065,Fc1cc(OC(F)(F)F)ccc1-c1nnc2cncc(Oc3ccccc3)n12,MXFQWIPQCLIFCT-UHFFFAOYSA-N,0,1,0.667,48,444,390.296,4.621,4,0.476,0.85,1.0,0.9591357686244946,0.9771520115139469,0.9938575149064491,0.9891028716331985,0.9798120416695223
EOS-0-01066,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1OC(F)F,LQIRCOAJYUUBCZ-UHFFFAOYSA-N,0,1,0.645,48,17,434.349,4.259,4,0.405,0.78,1.0,0.9910304297169488,0.9776231923788636,0.9847080392022479,0.9646700020560619,0.9795079158385306
EOS-0-01067,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccccc4OC(F)(F)F)n23)cc1,LJUNSSUJQKMMKM-UHFFFAOYSA-N,0,1,0.769,48,444,438.312,5.084,4,0.391,0.85,1.0,0.9862843533685148,0.9697330546227126,0.997652662600233,0.9936604756356658,0.9868326365567816
EOS-0-01068,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(OCC(F)(F)F)cc4)n23)c1,DXNWEEURMZHNLX-UHFFFAOYSA-N,0,1,0.684,48,40,450.367,4.632,4,0.384,0.77,1.0,0.9813326708244808,0.9847765746007813,0.9934463025152491,0.9842796929614146,0.9859588102254815
EOS-0-01069,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4C(F)(F)F)n23)ccc1Cl,KVGXSDCYSBUQKP-UHFFFAOYSA-N,0,1,0.775,23,240,471.241,5.878,4,0.342,0.79,1.0,0.9920070591460489,0.9914502090329655,0.9989205674730999,0.9994174491124665,0.9954488211911452
EOS-0-01070,COc1ccc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)c4)n23)cc1,SLWRNUWUCNFWEB-UHFFFAOYSA-N,0,1,0.765,48,396,415.28,4.728,4,0.456,0.77,1.0,0.9754471934754301,0.9697416215475293,0.9097988486053047,0.9053868823247208,0.9400936364882462
EOS-0-01071,Fc1ccc(-c2nnc3cncc(Oc4ccccc4)n23)cc1,CVZCPGWDSGVHDI-UHFFFAOYSA-N,0,1,0.71,48,254,306.3,3.723,4,0.579,0.92,1.0,0.9191453635802892,0.9203790007538893,0.8358662874374615,0.8684634363648824,0.8859635220341306
EOS-0-01072,Cc1ccccc1-c1nnc2cncc(OCCc3ccc(F)c(Cl)c3)n12,RRVHWDXSSQYIHA-UHFFFAOYSA-N,0,1,0.821,48,948,382.826,4.514,4,0.509,0.85,1.0,0.9501062298677266,0.9383609759440751,0.9059008978137207,0.9110067850044548,0.9263437221574943
EOS-0-01073,NC(COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12)Cc1ccc(Cl)cc1,FMUQXMIHEJDUJN-UHFFFAOYSA-N,0,1,0.76,48,40,463.847,4.292,4,0.44,0.8,1.0,0.9841254883147146,0.9257932972380234,0.989711123295182,0.9817096155164142,0.9703348810910836
EOS-0-01074,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1O,XLOKPLQFOQADQB-UHFFFAOYSA-N,0,1,0.684,48,396,380.379,3.266,4,0.553,0.81,1.0,0.9854190939620314,0.8768076211363169,0.7854499348913714,0.6609296826811047,0.8271515831677061
EOS-0-01075,COc1ccc(-c2nnc3cncc(Oc4cccc(F)c4)n23)cc1,AEBYAJHBXAPQNT-UHFFFAOYSA-N,0,1,0.857,48,254,336.326,3.731,4,0.568,0.91,1.0,0.8474402028647796,0.9107583441847714,0.859656637653348,0.8085035295730245,0.8565896785689809
EOS-0-01076,COc1cccc(CCOc2cncc3nnc(-c4ccc(C(C)(O)C(F)(F)F)cc4)n23)c1,WIWOQYFMJLAAGZ-UHFFFAOYSA-N,0,1,0.759,48,40,458.44,4.191,4,0.447,0.68,1.0,0.9877578644369817,0.9584504146391611,0.9943372626961826,0.9671287094784456,0.9769185628126927
EOS-0-01077,Fc1ccc2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2c1,BPJJPGZYBNJWEK-UHFFFAOYSA-N,0,1,0.697,79,824,384.414,4.705,5,0.441,0.85,1.0,0.9685079843739292,0.9761154136111302,0.8610958810225482,0.8911400863546022,0.9242148413405524
EOS-0-01078,Cc1ccccc1-c1nnc2cncc(OCCc3ccc(F)cc3)n12,CEIXNVTWSNZMNK-UHFFFAOYSA-N,0,1,0.788,48,231,348.381,3.86,4,0.549,0.92,1.0,0.9383524090192584,0.9043588513467206,0.785458501816188,0.7722483037488863,0.8501045164827633
EOS-0-01079,Fc1ccc(CCOc2cncc3nnc(-c4cccc5ccccc45)n23)cc1,SHNUJUNCVDWVFR-UHFFFAOYSA-N,0,1,0.722,79,824,384.414,4.705,5,0.441,0.9,1.0,0.9694674799533959,0.9704184086080461,0.8696713727640326,0.8993386334041532,0.927223973682407
EOS-0-01080,Fc1ccc(Cl)c(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c1,RNPUXRFFYRCPLT-UHFFFAOYSA-N,0,1,0.768,23,86,437.689,5.512,4,0.413,0.86,1.0,0.9739908162565966,0.9803217736961141,0.9817353162908642,0.9938146802823659,0.9824656466314852
EOS-0-01081,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cccc(F)c4F)n23)c1,UEASYXXBSADNFL-UHFFFAOYSA-N,0,1,0.608,23,370,388.324,3.969,4,0.486,0.82,1.0,0.9674199849222124,0.9771605784387636,0.9790196011239806,0.9825234733739977,0.9765309094647385
EOS-0-01082,FC(F)(F)c1cccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1,PUHYYUQMOXRPMF-UHFFFAOYSA-N,0,1,0.764,48,240,418.806,5.085,4,0.453,0.86,1.0,0.9665290247412789,0.9824806387499143,0.9948855458844493,0.9938232472071825,0.9844296141457063
EOS-0-01084,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,QGCJNXGTTAVDAQ-UHFFFAOYSA-N,0,1,0.671,90,708,355.76,3.558,4,0.56,0.87,1.0,0.9076142827770544,0.9704269755328627,0.8406380645603454,0.8815194297854843,0.9000496881639366
EOS-0-01085,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4C(F)(F)F)n23)cc1,KBIGCNSRPNQNNP-UHFFFAOYSA-N,0,1,0.743,48,240,402.351,4.571,4,0.459,0.83,1.0,0.9735710369405798,0.9690562675621959,0.9936176410115825,0.9871753135494483,0.9808550647659516
EOS-0-01086,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(OC(F)(F)F)c4)n23)c(F)c1,GPPPPKMNJKRVJJ-UHFFFAOYSA-N,0,1,0.737,23,240,470.785,5.243,4,0.361,0.72,1.0,0.9895654855732986,0.9948255774107326,0.9976612295250497,0.9977725995476664,0.9949562230141868
EOS-0-01087,COc1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1,VKFMMKAAVYQKBZ-UHFFFAOYSA-N,0,1,0.681,48,254,354.316,3.87,4,0.557,0.86,1.0,0.9458656020834761,0.9354824892056748,0.9386608183126585,0.9041703790007539,0.9310448221506409
EOS-0-01088,Cc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)n1,MZYNKALMWYZDFT-UHFFFAOYSA-N,0,1,0.676,90,400,383.814,3.909,4,0.522,0.84,1.0,0.9617229799191283,0.9619714207388116,0.7532468645055171,0.7699523678980194,0.8617234082653691
EOS-0-01089,COc1cc(F)ccc1-c1nnc2cncc(OCCc3ccc(F)cc3)n12,JTKQJIBLXPUENB-UHFFFAOYSA-N,0,1,0.768,48,231,382.37,3.7,4,0.509,0.83,1.0,0.9623397985059283,0.8899235830306353,0.889803646083202,0.8520577753409636,0.8985312007401823
EOS-0-01090,Clc1cccc(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)c1,IQRPIMPIYKZYTI-UHFFFAOYSA-N,0,1,0.906,48,231,385.254,4.72,4,0.499,0.83,1.0,0.8893153313686519,0.9776317593036804,0.9025854979096704,0.94976355287506,0.9298240353642656
EOS-0-01091,CCc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,VIQRYQLNQOKASH-UHFFFAOYSA-N,0,1,0.806,48,231,378.863,4.629,4,0.491,0.89,1.0,0.9432012884654924,0.955666164073744,0.8144061407717086,0.8064131999177575,0.8799216983071756
EOS-0-01092,Fc1cc(-c2nnc3cncc(Oc4ccccc4)n23)ccc1OC(F)(F)F,IPHHFJFXDCQZFQ-UHFFFAOYSA-N,0,1,0.691,48,444,390.296,4.621,4,0.476,0.84,1.0,0.9554691248029608,0.9690648344870125,0.9942430265231992,0.9886488246179151,0.976856452607772
EOS-0-01093,Fc1ccccc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,DTWXIDWHZVNZMH-UHFFFAOYSA-N,0,1,0.609,48,254,340.745,4.376,4,0.555,0.91,1.0,0.9269069974641903,0.9833887327804811,0.9364162840106915,0.9616287437461449,0.952085189500377
EOS-0-01094,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)c(F)c1,VXKGNBSWVGQFSS-UHFFFAOYSA-N,0,1,0.685,23,240,454.786,5.363,4,0.381,0.77,1.0,0.9899595641148653,0.994328695771366,0.9990148036460832,0.9991176067438832,0.9956051675690494
EOS-0-01095,Fc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)c(Cl)c4)n23)c(F)c1,MKRRPJZRQCVKSO-UHFFFAOYSA-N,0,1,0.747,23,240,470.785,5.243,4,0.361,0.71,1.0,0.9891200054828319,0.9935662394626825,0.997781166472483,0.9978154341717497,0.9945707113974368
EOS-0-01096,COc1ccc(-c2nnc3cncc(OC(C)c4ccc(F)cc4)n23)cc1,AUXXSFSGTPCQQL-UHFFFAOYSA-N,0,1,0.736,48,396,364.38,4.079,4,0.534,0.86,1.0,0.9492581043108765,0.939757384689192,0.9414022342539922,0.8758224247824001,0.9265600370091153
EOS-0-01097,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,RCPWKTGTSKTBAZ-UHFFFAOYSA-N,0,1,0.625,23,708,373.75,3.697,4,0.545,0.81,1.0,0.9584332807895278,0.9717891165787129,0.9015231992324035,0.9319614831060242,0.9409267699266671
EOS-0-01098,COc1cccc(Oc2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)c1,LJEBCFSZZQGMHY-UHFFFAOYSA-N,0,1,0.646,48,444,404.323,4.75,4,0.46,0.81,1.0,0.9782999794393804,0.9750788157083133,0.9965389623740663,0.9864556918648482,0.9840933623466521
EOS-0-01099,Fc1ccc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)c(F)c1,PUBCSTCISYPAIH-UHFFFAOYSA-N,0,1,0.63,23,370,374.297,3.927,4,0.508,0.75,1.0,0.9762010828592969,0.9741278870536633,0.9849564800219314,0.9891114385580152,0.9810992221232266
EOS-0-01100,Fc1ccc(CCOc2cncc3nnc(-c4cc(C(F)(F)F)ccc4F)n23)cc1,PPFBGSLYEWTJMX-UHFFFAOYSA-N,0,1,0.739,48,240,420.341,4.71,4,0.439,0.81,1.0,0.9786426564320472,0.9766294291001302,0.9976697964498663,0.9966503323966829,0.9873980535946816
EOS-0-01101,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c(OC(F)F)c1,MIAYIBRQMNZWDF-UHFFFAOYSA-N,0,1,0.679,48,240,434.805,4.807,4,0.418,0.85,1.0,0.9816839147419643,0.9817524501404976,0.9794308135151806,0.9810927969296142,0.9809899938318141
EOS-0-01102,Fc1ccc(C(F)(F)F)cc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,JLMOPDGTXYSQNN-UHFFFAOYSA-N,0,1,0.739,48,240,436.796,5.224,4,0.402,0.85,1.0,0.9819409224864643,0.9840655198409979,0.9976783633746831,0.9978240010965663,0.9903772016996779
EOS-0-01103,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,WVJPWHXIZDUCJD-UHFFFAOYSA-N,0,1,0.608,48,254,408.742,5.395,4,0.426,0.84,1.0,0.9854276608868481,0.9857275032554315,0.9993146460146666,0.9995288191350833,0.9924996573230074
EOS-0-01104,COc1cccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)c(OC(F)(F)F)c4)n23)c1,ATHPRFUJORKIDW-UHFFFAOYSA-N,0,1,0.808,48,40,496.392,4.921,4,0.304,0.76,1.0,0.9904735796038654,0.9851363854430814,0.994251593448016,0.9734510999931465,0.9858281646220273
EOS-0-01105,Clc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4Cl)n23)cc1,QUYANHRJZCYWPY-UHFFFAOYSA-N,0,1,0.765,23,906,419.699,5.373,4,0.436,0.89,1.0,0.9689363306147625,0.97554999657323,0.9585703515865944,0.9828147488177644,0.9714678568980879
EOS-0-01106,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,VHQKDOSSFWTWCK-UHFFFAOYSA-N,0,1,0.764,79,660,411.44,4.614,5,0.408,0.87,1.0,0.977023507641697,0.9741364539784799,0.8270937564251936,0.8191864848194093,0.899360050716195
EOS-0-01107,COCCOc1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,GGZRUHGUFRIUCX-UHFFFAOYSA-N,0,1,0.692,48,396,424.888,4.091,4,0.377,0.84,1.0,0.9747961071893633,0.9789767664998972,0.707525186758961,0.6609382496059215,0.8305590775135357
EOS-0-01108,COc1cccc(CCOc2cncc3nnc(-c4ccccc4F)n23)c1,OYRVUJQWRIIHFW-UHFFFAOYSA-N,0,1,0.812,48,396,364.38,3.561,4,0.523,0.85,1.0,0.9028425056541703,0.9505688438078267,0.7809522993626208,0.7097611541361113,0.8360312007401822
EOS-0-01109,Fc1cccc(CCOc2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)c1,VMWRWYPITFMTRD-UHFFFAOYSA-N,0,1,0.764,48,240,402.351,4.571,4,0.459,0.84,1.0,0.9604208073469948,0.9755585634980467,0.994894112809266,0.9911503666643822,0.9805059625796724
EOS-0-01110,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4C(F)(F)F)n23)cc1,GDUAEZFEHVEEIO-UHFFFAOYSA-N,0,1,0.681,48,444,454.33,5.288,4,0.384,0.83,1.0,0.9932321293948324,0.97508738263313,0.9997943938043999,0.9992718113905832,0.9918464293057363
EOS-0-01111,FC(F)Oc1ccc(-c2nnc3cncc(Oc4cccnc4)n23)cc1,NBYSFYJHFIUFLZ-UHFFFAOYSA-N,0,1,0.75,48,305,355.304,3.58,4,0.545,0.82,1.0,0.9591443355493112,0.889932149955452,0.9173805770680556,0.8801401548900006,0.9116493043657049
EOS-0-01112,COc1ccc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)cc1,DWIZYWSVLCCIBT-UHFFFAOYSA-N,0,1,0.671,48,17,401.253,4.686,4,0.486,0.83,1.0,0.9754557604002467,0.9584589815639778,0.9338804742649579,0.9335549311219244,0.9503375368377767
EOS-0-01113,N#Cc1cc(F)ccc1-c1nnc2cncc(Oc3ccc(F)c(F)c3)n12,INNHTSIRXXPGIO-UHFFFAOYSA-N,0,1,0.635,23,254,367.29,3.873,4,0.549,0.83,1.0,0.9630508532657117,0.9574652182852443,0.9837057089986978,0.9864642587896648,0.9726715098348298
EOS-0-01114,Fc1cc(F)cc(-c2nnc3cncc(OCCc4cccc(Br)c4)n23)c1,CSKLEQJBYIKORJ-UHFFFAOYSA-N,0,1,0.875,23,370,431.24,4.454,4,0.469,0.84,1.0,0.92443972311699,0.9636334041532452,0.9359279692961414,0.9461654444520595,0.942541635254609
EOS-0-01115,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cn1,IQKZRAGSPAKTRX-UHFFFAOYSA-N,0,1,0.662,48,305,419.338,3.846,4,0.349,0.8,1.0,0.9830117880885477,0.9840740867658145,0.9837142759235145,0.9586217531354945,0.9773554759783427
EOS-0-01116,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccc(F)cc5)cc4)n23)cc1,LZRQBKSQJPNVOT-UHFFFAOYSA-N,0,1,0.809,79,590,444.441,5.483,5,0.333,0.82,1.0,0.9847680076759646,0.9902165718593654,0.9470135700089096,0.942130422863409,0.9660321431019121
EOS-0-01117,CS(=O)(=O)c1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,VFDZDFLWNKUJMS-UHFFFAOYSA-N,0,1,0.846,48,444,432.408,3.589,4,0.459,0.83,1.0,0.9383609759440751,0.9369817010485916,0.87512850387225,0.8291241176067439,0.8948988246179153
EOS-0-01118,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)nc1,LTSFXGLZVQABLQ-UHFFFAOYSA-N,0,1,0.68,48,305,405.311,3.803,4,0.47,0.81,1.0,0.9515968747858269,0.9653296552669454,0.987029675827565,0.9676427249674456,0.9678997327119457
EOS-0-01119,CC(C)(C)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,GCXBOZTZIWXELR-UHFFFAOYSA-N,0,1,0.821,48,378,390.462,4.849,4,0.489,0.84,1.0,0.9653296552669454,0.9067747241450209,0.9256990610650401,0.8191950517442259,0.9042496230553081
EOS-0-01120,Fc1ccc(-c2nnc3cncc(OCC4CCc5ccccc5O4)n23)cc1Cl,WGJVNVOFSZTPFX-UHFFFAOYSA-N,0,1,0.63,48,101,410.836,4.356,5,0.5,0.74,1.0,0.9844681653073812,0.9547238023439106,0.8815879651840175,0.917526214789939,0.9345765369063121
EOS-0-01121,Fc1ccc(-c2nnc3cncc(OCCCc4ccccn4)n23)cc1,VMESCSBUSJSWKU-UHFFFAOYSA-N,0,1,0.632,48,400,349.369,3.337,4,0.5,0.85,1.0,0.9665375916660955,0.960360838873278,0.4442635871427592,0.5122849701871016,0.7208617469673085
EOS-0-01122,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1F,OQBPIFAGIIFIJV-UHFFFAOYSA-N,0,1,0.773,23,627,422.769,4.623,4,0.348,0.77,1.0,0.9867041326845316,0.9844852991570145,0.9878949352340484,0.991981358371599,0.9877664313617984
EOS-0-01123,FC(F)(F)c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1Cl,RCYNYLGTFSVBNJ-UHFFFAOYSA-N,0,1,0.812,23,240,487.696,6.392,4,0.327,0.81,1.0,0.9934206017407992,0.9952624905763827,0.9991261736686999,0.9997344253306834,0.9968859228291412
EOS-0-01124,Fc1cccc(F)c1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,LPUMGEGEHKWREU-UHFFFAOYSA-N,0,1,0.63,23,370,407.207,4.955,4,0.48,0.82,1.0,0.9739993831814132,0.9866098965115482,0.985196353916798,0.9945171681173326,0.985080700431773
EOS-0-01125,CC(Oc1cncc2nnc(-c3ccc(F)cc3F)n12)c1ccccc1F,BTZKWPZJSYDGSZ-UHFFFAOYSA-N,0,1,0.649,23,906,370.334,4.349,4,0.536,0.69,1.0,0.9723202659173463,0.9723373997669796,0.9861472825714481,0.9842882598862313,0.9787733020355014
EOS-0-01126,Cc1cc(F)ccc1-c1nnc2cncc(OCCc3cc(F)cc(F)c3)n12,HHBUEOADVRQDOY-UHFFFAOYSA-N,0,1,0.686,23,370,384.361,4.139,4,0.519,0.8,1.0,0.9669830717565623,0.9668460009594956,0.9488211911452266,0.9483414433554931,0.9577479268041944
EOS-0-01127,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1,USGFJZOTIUYMHH-UHFFFAOYSA-N,0,1,0.699,48,305,401.348,3.706,4,0.49,0.83,1.0,0.9636248372284285,0.9611318621067781,0.971994722774313,0.9302052635186073,0.9567391714070317
EOS-0-01128,Cc1ccccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,ZDTIYKBEGANQFK-UHFFFAOYSA-N,0,1,0.788,48,231,364.836,4.375,4,0.527,0.92,1.0,0.9296655472551573,0.9277551230210404,0.7873003906517716,0.8152799671030087,0.8650002570077444
EOS-0-01129,CC(COc1cncc2nnc(-c3ccc(F)c(OCC(F)(F)F)c3)n12)c1ccccc1,GMPVITZMSDEIHX-UHFFFAOYSA-N,0,1,0.662,48,40,446.404,5.054,4,0.372,0.7,1.0,0.9922726338153657,0.9875094236172983,0.9934891371393325,0.9797477897333973,0.9882547460763484
EOS-0-01130,Oc1cccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,FNQPBKAZJXKZIC-UHFFFAOYSA-N,0,1,0.8,48,254,370.315,3.891,4,0.574,0.79,1.0,0.9492666712356932,0.8366715783702282,0.9470221369337263,0.9175347817147557,0.9126237920636009
EOS-0-01131,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(OC(F)(F)F)c4)n23)cc1,CAUAEDMEYMFJGJ-UHFFFAOYSA-N,0,1,0.725,48,444,470.329,5.168,4,0.363,0.85,1.0,0.9910389966417654,0.9807672537865808,0.9996316222328833,0.9984493866081832,0.9924718148173531
EOS-0-01132,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c1,VNSKDCJJXHPVIX-UHFFFAOYSA-N,0,1,0.74,79,883,411.44,4.614,5,0.408,0.78,1.0,0.9825491741484477,0.9636419710780618,0.837502570077445,0.8371084915358783,0.9052005517099582
EOS-0-01133,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cn1,XPZXNOTWCFAEOS-UHFFFAOYSA-N,0,1,0.739,79,650,411.44,4.614,5,0.382,0.8,1.0,0.9836200397505311,0.9711465972174628,0.840646631485162,0.8270252210266603,0.9056096223699541
EOS-0-01134,COc1ccc2cc(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)ccc2c1,YTMWBCFBYYLPCV-UHFFFAOYSA-N,0,1,0.711,91,397,414.44,4.714,5,0.403,0.79,1.0,0.9795850181618806,0.9811013638544308,0.902594064834487,0.8745459529847166,0.9344565999588788
EOS-0-01135,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)cc1F,MITMGDHDGOMXJO-UHFFFAOYSA-N,0,1,0.671,90,400,376.75,3.937,4,0.528,0.81,1.0,0.9699300938934959,0.9526420396134604,0.9265557535467068,0.9387721883352752,0.9469750188472346
EOS-0-01136,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c2ccccc2c1,HFJBGYCALPDSTB-UHFFFAOYSA-N,0,1,0.584,79,640,468.41,5.604,5,0.304,0.73,1.0,0.9979439380439997,0.9962219861558494,0.9930008224247824,0.9888801315879652,0.9940117195531493
EOS-0-01137,Fc1ccccc1-c1nnc2cncc(OCc3ccccc3Cl)n12,FOHXRQOPFCCJMR-UHFFFAOYSA-N,0,1,0.667,48,906,354.772,4.163,4,0.552,0.9,1.0,0.9352683160852581,0.9611404290315948,0.9257076279898567,0.9535758344184772,0.9439230518812967
EOS-0-01138,Fc1ccccc1-c1nnc2cncc(OCCc3cc(F)c(F)c(F)c3)n12,KXEBIIXSNNXVMS-UHFFFAOYSA-N,0,1,0.818,23,86,388.324,3.969,4,0.384,0.74,1.0,0.9751302172572134,0.9785569871838805,0.9790281680487972,0.9800561990267973,0.9781928928791721
EOS-0-01139,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCC4COc5ccccc5O4)n23)cc1,QMNGLEQQCRFNFM-UHFFFAOYSA-N,0,1,0.686,48,40,444.369,3.909,5,0.462,0.75,1.0,0.9851278185182647,0.9636505380028785,0.9837228428483311,0.9535844013432938,0.971521400178192
EOS-0-01140,Oc1c(F)cc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1Br,GYPMWHKHVQSVCO-UHFFFAOYSA-N,0,1,0.791,23,370,447.239,4.159,4,0.498,0.68,1.0,0.9704012747584128,0.9644472620108286,0.9338890411897746,0.9228805428003564,0.9479045301898431
EOS-0-01141,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)c(Cl)c2)cc1,YGGFPXYUKOTFHC-UHFFFAOYSA-N,0,1,0.814,79,497,444.897,5.872,5,0.328,0.84,1.0,0.9838856144198479,0.9941402234253992,0.9440494140223425,0.9605750119936948,0.9706625659653211
EOS-0-01142,Cc1ccccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12,LLGISUFNPKUWEA-UHFFFAOYSA-N,0,1,0.821,48,948,366.371,3.999,4,0.536,0.83,1.0,0.940245699403742,0.8899407168802687,0.904787197587554,0.8898122130080186,0.9061964567198959
EOS-0-01143,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccncc4)n23)cc1,KLFWNLKDJXJARH-UHFFFAOYSA-N,0,1,0.825,48,305,369.331,3.367,4,0.519,0.87,1.0,0.9569169350969776,0.8437307244191625,0.9239599753272565,0.8773216366253169,0.9004823178671784
EOS-0-01144,Oc1cc(F)c(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c(F)c1,JAXJEWAVLIMFHY-UHFFFAOYSA-N,0,1,0.667,23,370,402.788,4.05,4,0.545,0.77,1.0,0.962348365430745,0.9711551641422795,0.9338976081145912,0.9490867658145432,0.9541219758755397
EOS-0-01145,FC(F)(F)Oc1ccc(-c2nnc3cncc(Oc4ccncc4)n23)cc1,LZXBGODTLNSQCX-UHFFFAOYSA-N,0,1,0.682,48,444,373.294,3.877,4,0.541,0.87,1.0,0.9604293742718114,0.9383695428688917,0.9840055513672812,0.9568655335480776,0.9599175005140155
EOS-0-01146,FC(F)(F)c1ccccc1COc1cncc2nnc(-c3ccccc3)n12,NLGTWNBYARLDEY-UHFFFAOYSA-N,0,1,0.667,48,135,370.334,4.389,4,0.535,0.87,1.0,0.9689448975395792,0.9293999725858406,0.9910732643410322,0.9788139949283805,0.9670580323487081
EOS-0-01147,COc1cccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1,LOLJIXFAYAUASR-UHFFFAOYSA-N,0,1,0.744,48,396,380.835,4.075,4,0.504,0.88,1.0,0.9501147967925434,0.920387567678706,0.8061133575491741,0.7770029470221369,0.8634046672606401
EOS-0-01148,Fc1cccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)c1,YUPLHVIKRXDHDE-UHFFFAOYSA-N,0,1,0.764,23,86,388.324,3.969,4,0.384,0.85,1.0,0.9623569323555616,0.9833972997052978,0.9802789390720307,0.9813412377492975,0.9768436022205469
EOS-0-01149,Cc1ccc(F)cc1-c1nnc2cncc(OCCc3ccc(Cl)c(F)c3)n12,ZGOOTWWUYHWRKC-UHFFFAOYSA-N,0,1,0.757,23,86,400.816,4.653,4,0.489,0.8,1.0,0.9546295661709273,0.9556747309985607,0.9585789185114112,0.9623055308066616,0.9577971866218902
EOS-0-01150,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,QXVRUHDHAYZPDE-UHFFFAOYSA-N,0,1,0.632,23,254,375.19,5.03,4,0.504,0.85,1.0,0.959795421835378,0.985144952367898,0.9752758549790967,0.989993831814132,0.9775525152491261
EOS-0-01151,Fc1ccc(CCOc2cncc3nnc(-c4c(F)ccc(F)c4F)n23)cc1F,YSESSPFIIKKSBI-UHFFFAOYSA-N,0,1,0.754,23,627,406.314,4.108,4,0.37,0.69,1.0,0.9802361044479474,0.9776403262284971,0.9892913439791653,0.9913988074840655,0.9846416455349188
EOS-0-01152,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccnc4)n23)cc1,AMANIBUWWPZIDJ-UHFFFAOYSA-N,0,1,0.653,48,305,387.321,3.664,4,0.52,0.85,1.0,0.9766122952504969,0.8873192378863684,0.9796963881844973,0.9461740113768762,0.9474504831745598
EOS-0-01153,Clc1ccc(-c2nnc3cncc(Oc4ccccc4)n23)cc1,WTRBWFJLOTXRNA-UHFFFAOYSA-N,0,1,0.71,48,254,322.755,4.237,4,0.566,0.91,1.0,0.8720187101637996,0.9584675484887945,0.8375111370022617,0.8981049962305531,0.8915255979713522
EOS-0-01154,Fc1cc(F)cc(CCOc2cncc3nnc(-c4cc(Cl)cc(Cl)c4)n23)c1,CSJVWFALSXPUCI-UHFFFAOYSA-N,0,1,0.841,23,370,421.234,4.998,4,0.455,0.8,1.0,0.9530189843053938,0.9814526077719142,0.977306216160647,0.989377013227332,0.9752887053663216
EOS-0-01155,Clc1cccc(Cl)c1-c1nnc2cncc(OCCc3ccccc3)n12,RUQMIJODFWDHEZ-UHFFFAOYSA-N,0,1,0.812,48,906,385.254,4.72,4,0.499,0.83,1.0,0.9320214515797409,0.952650606538277,0.8611044479473648,0.9259560688095402,0.9179331437187307
EOS-0-01156,c1ccc(-c2nnc3cncc(OCCc4cccs4)n23)cc1,CBLOBNCFEWAKGC-UHFFFAOYSA-N,0,1,0.776,15,400,322.393,3.474,4,0.564,0.92,1.0,0.9402542663285587,0.8471917620450963,0.3336645877595778,0.37019395517784937,0.6228261428277705
EOS-0-01157,COc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,YEOVTUYIGKIDJL-UHFFFAOYSA-N,0,1,0.764,48,135,380.835,4.075,4,0.504,0.85,1.0,0.9296741141799739,0.9149304365704887,0.7485950243300665,0.728154341717497,0.8303384791995065
EOS-0-01158,COc1cccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,VRSGQBYSUILKQK-UHFFFAOYSA-N,0,1,0.691,48,444,402.332,4.491,4,0.49,0.81,1.0,0.9699386608183127,0.9494465766568433,0.9888201631142485,0.9575166198341444,0.9664305051058872
EOS-0-01159,Fc1cccc(COc2cncc3nnc(-c4ccccc4Cl)n23)c1F,WREKVCOSRSRALL-UHFFFAOYSA-N,0,1,0.608,23,906,372.762,4.302,4,0.536,0.87,1.0,0.9569255020217943,0.965338222191762,0.9699472277431294,0.9808272222602974,0.9682595435542457
EOS-0-01160,Nc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,IJRQKBXRNOJCAH-UHFFFAOYSA-N,0,1,0.866,48,231,349.369,3.134,4,0.56,0.93,1.0,0.9523250633952437,0.6231495442395998,0.7460592145843328,0.717711260365979,0.7598112706462888
EOS-0-01161,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)ccc1C(F)(F)F,SPDFDBPRICTXTE-UHFFFAOYSA-N,0,1,0.789,23,240,471.241,5.878,4,0.342,0.66,1.0,0.9937718456582825,0.994996915907066,0.9988434651497499,0.99935748063875,0.996742426838462
EOS-0-01162,FC(F)(F)Oc1cccc(-c2nnc3cncc(Oc4ccccc4)n23)c1,PYGMAEMNITZSBP-UHFFFAOYSA-N,0,1,0.712,48,444,372.306,4.482,4,0.529,0.92,1.0,0.9352768830100747,0.9087793845521211,0.987903502158865,0.9734596669179632,0.951354859159756
EOS-0-01163,CCOc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1F,YZMXTVBPGYMPPL-UHFFFAOYSA-N,0,1,0.761,48,231,396.397,4.09,4,0.471,0.83,1.0,0.9420704543896923,0.9611489959564115,0.8956976903570695,0.8450414639161127,0.9109896511548214
EOS-0-01164,Fc1cc(-c2nnc3cncc(Oc4ccccc4F)n23)ccc1Cl,ZMQTXBBZNNNSQS-UHFFFAOYSA-N,0,1,0.554,23,254,358.735,4.515,4,0.54,0.9,1.0,0.9441008155712426,0.9828233157425811,0.9752844219039134,0.9851021177438147,0.971827667740388
EOS-0-01165,COc1cc(OC)cc(Oc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,YPTTVSCOBGQEPA-UHFFFAOYSA-N,0,1,0.716,48,444,416.359,4.62,4,0.473,0.78,1.0,0.9847765746007813,0.9461740113768762,0.992469673086149,0.9542097868549105,0.9694075114796793
EOS-0-01166,Clc1cccc(CCOc2cncc3nnc(-c4cccc(Br)c4)n23)c1,VCHVBEMGQJFXFC-UHFFFAOYSA-N,0,1,0.906,48,231,429.705,4.829,4,0.456,0.85,1.0,0.8855972859982181,0.9781286409430471,0.8710335138098828,0.9121718867795217,0.9117328318826674
EOS-0-01167,Oc1ccccc1-c1nnc2cncc(OCCc3ccc(F)cc3)n12,RNCLNALYLUCKMF-UHFFFAOYSA-N,0,1,0.743,48,231,350.353,3.258,4,0.598,0.88,1.0,0.9402628332533753,0.8534713179357138,0.7575645946131176,0.7442258926735659,0.8238811596189431
EOS-0-01168,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCC4Oc5ccccc5O4)n23)cc1,OCOLFOMHGNLBRL-UHFFFAOYSA-N,0,1,0.706,48,40,430.342,3.866,5,0.476,0.72,1.0,0.9847851415255979,0.9629480501679117,0.9910818312658488,0.9701956685628127,0.9772526728805427
EOS-0-01169,Fc1ccccc1COc1cncc2nnc(-c3ccccc3F)n12,ZBBUGGUFWIFLRE-UHFFFAOYSA-N,0,1,0.667,48,906,338.317,3.649,4,0.57,0.93,1.0,0.9329895140840244,0.927763689945857,0.92485093550819,0.9379497635528751,0.9308884757727365
EOS-0-01170,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,FSOWXQNJNIORBP-UHFFFAOYSA-N,0,1,0.68,48,305,421.766,4.317,4,0.478,0.77,1.0,0.954638133095744,0.9668545678843122,0.9872095812487149,0.9751730518812967,0.9709688335275168
EOS-0-01172,Fc1cc(F)cc(CCOc2cncc3nnc(-c4cccc(OC(F)(F)F)c4)n23)c1,VZRUUTBOKRQJFV-UHFFFAOYSA-N,0,1,0.683,48,40,436.34,4.59,4,0.414,0.83,1.0,0.9735796038653964,0.9814611746967309,0.9952967582756493,0.992366869988349,0.9856761017065314
EOS-0-01173,COc1ccc(CCOc2cncc3nnc(-c4cccc(F)c4F)n23)cc1,RQAOYZVXPJURHR-UHFFFAOYSA-N,0,1,0.689,48,396,382.37,3.7,4,0.509,0.87,1.0,0.9474847508738263,0.9307706805565075,0.9079055582208211,0.8536769241313138,0.9099594784456172
EOS-0-01174,COc1cc(F)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,XGGFGUWQGYQVRZ-UHFFFAOYSA-N,0,1,0.764,48,135,364.38,3.561,4,0.523,0.85,1.0,0.9410081557124255,0.8333219107669111,0.7460677815091494,0.6784918785552738,0.7997224316359399
EOS-0-01175,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cc1,DFZYFBYLOPQDJY-UHFFFAOYSA-N,0,1,0.809,79,590,460.896,5.998,5,0.298,0.87,1.0,0.9872524158727983,0.9935748063874992,0.9475618531971763,0.9522565279967103,0.970161400863546
EOS-0-01176,Cc1ccccc1CCOc1cncc2nnc(-c3cccc(Cl)c3)n12,LHDLOXPRTFRXJF-UHFFFAOYSA-N,0,1,0.824,48,135,364.836,4.375,4,0.527,0.84,1.0,0.842839764238229,0.9675399218696457,0.7915495853608389,0.8192036186690426,0.855283222534439
EOS-0-01177,Fc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)c(F)c1,KECDZNHVLAHDAR-UHFFFAOYSA-N,0,1,0.689,90,400,353.332,3.086,4,0.552,0.82,1.0,0.9296826811047906,0.9483842779795765,0.7309385922829141,0.7571276814474677,0.8415333082036873
EOS-0-01178,CC(C)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,UWJBZPOSWQTBJQ-UHFFFAOYSA-N,0,1,0.859,48,576,374.444,4.2,4,0.485,0.87,1.0,0.9516054417106435,0.7734391062984032,0.7177369611404291,0.5716280583921596,0.7536023918854088
EOS-0-01179,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccs4)n23)cc1,YJIJADZEAXAGDG-UHFFFAOYSA-N,0,1,0.821,48,305,392.362,4.33,4,0.506,0.83,1.0,0.920516071550956,0.9440065793982592,0.9787797272291139,0.947647522445343,0.947737475155918
EOS-0-01180,FC(F)(F)Oc1ccc(Cl)c(-c2nnc3cncc(OCCc4ccccc4)n23)c1,FUTNPZAIUPMIFR-UHFFFAOYSA-N,0,1,0.75,48,40,434.805,4.965,4,0.429,0.87,1.0,0.957807895277911,0.9755671304228634,0.9898910287163319,0.9840912206154478,0.9768393187581386
EOS-0-01181,Clc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c1,XBERXTQIPYRJRB-UHFFFAOYSA-N,0,1,0.841,79,650,426.907,5.733,5,0.347,0.85,1.0,0.9716777465560962,0.9914587759577822,0.8981478308546365,0.9239257076279899,0.9463025152491262
EOS-0-01182,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4OC(F)(F)F)n23)cc1,FFWVZPXMAROOHD-UHFFFAOYSA-N,0,1,0.771,48,444,452.339,4.87,4,0.373,0.82,1.0,0.9860359125488315,0.9594613117675279,0.997318552532383,0.9926838462065657,0.983874905763827
EOS-0-01183,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1,WOJUUFWQBAUXSN-UHFFFAOYSA-N,0,1,0.786,79,590,426.451,5.344,5,0.351,0.84,1.0,0.9822578987046809,0.9847851415255979,0.887559111781235,0.8745545199095333,0.9322891679802618
EOS-0-01184,Cc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c(Cl)c1,ZMHPNKYEQDYMEV-UHFFFAOYSA-N,0,1,0.746,48,231,399.281,5.028,4,0.473,0.87,1.0,0.9269155643890069,0.9771691453635802,0.9079141251456377,0.9396631485162086,0.9379154958536083
EOS-0-01185,Fc1ccccc1-c1nnc2cncc(OCCc3ccc(F)c(C(F)(F)F)c3)n12,CTBMHDSWDLGXBX-UHFFFAOYSA-N,0,1,0.775,48,64,420.341,4.71,4,0.439,0.81,1.0,0.9659122061544788,0.9794051127407306,0.9969844424645329,0.9950825851552326,0.9843460866287438
EOS-0-01186,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3c(F)cccc3F)n12,VXSDPCSAIZSUDO-UHFFFAOYSA-N,0,1,0.603,23,17,386.789,4.61,4,0.514,0.83,1.0,0.9591529024741279,0.9746162017682133,0.9654238914399287,0.9726458090603797,0.9679597011856624
EOS-0-01187,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)nc1,PEOFUPQMKJFIHT-UHFFFAOYSA-N,0,1,0.658,48,400,335.342,2.947,4,0.561,0.85,1.0,0.9483585772051264,0.9043674182715372,0.5209204304023027,0.5487458022068399,0.7305980570214516
EOS-0-01188,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCC4Cc5ccccc5C4)n23)cc1,YOAJWZJLGNXTPI-UHFFFAOYSA-N,0,1,0.667,48,40,426.398,4.484,5,0.471,0.7,1.0,0.9841340552395312,0.9717976835035296,0.9790367349736139,0.9691847714344459,0.9760383112877802
EOS-0-01189,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccc(Cl)cc5)cc4)n23)cc1,KEBVHEVSVGQKHD-UHFFFAOYSA-N,0,1,0.809,79,590,460.896,5.998,5,0.298,0.85,1.0,0.987260982797615,0.9937118771845658,0.947570420121993,0.952265094921527,0.9702020937564253
EOS-0-01190,FC(F)(F)Oc1ccc(-c2nnc3cncc(OC4CC(Oc5ccccc5)C4)n23)cc1,FQLFITRLMOSQFJ-UHFFFAOYSA-N,0,1,0.625,48,40,442.397,4.679,5,0.432,0.71,1.0,0.9914073744088822,0.9704355424576794,0.9833201973819478,0.9711208964430128,0.9790710026728805
EOS-0-01191,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)nc4)n23)cc1,YREDFMPORHLUGU-UHFFFAOYSA-N,0,1,0.662,66,305,469.345,4.725,4,0.381,0.85,1.0,0.9825577410732643,0.9803303406209307,0.9980638749914331,0.9888886985127818,0.9874601637996026
EOS-0-01192,COc1ccc(CCOc2cncc3nnc(-c4ccccc4F)n23)cc1,DGHLLPRWFWMKBA-UHFFFAOYSA-N,0,1,0.848,48,396,364.38,3.561,4,0.523,0.9,1.0,0.8760794325269001,0.9149390034953053,0.7957730792954562,0.7177198272907956,0.8261278356521143
EOS-0-01193,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5cccc(F)c5)cc4)n23)cc1,WBNMSPXWTMDNJZ-UHFFFAOYSA-N,0,1,0.753,79,397,458.468,5.27,5,0.317,0.87,1.0,0.980244671372764,0.987517990542115,0.9500805290932767,0.9362449455143582,0.9635220341306284
EOS-0-01194,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCC4CCCO4)n23)cc1,GPSMWPVVRLNBKC-UHFFFAOYSA-N,0,1,0.696,68,548,380.326,3.248,4,0.677,0.77,1.0,0.9523336303200604,0.8299294085395107,0.8737834966760332,0.8684720032896991,0.8811296347063258
EOS-0-01195,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)c(F)c4)n23)c(F)c1,KAKYVBJQBANJBR-UHFFFAOYSA-N,0,1,0.612,23,240,454.33,4.729,4,0.395,0.72,1.0,0.9833116304571311,0.9906706188746488,0.9980724419162498,0.9970529778630662,0.992276917277774
EOS-0-01196,FC(F)(COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12)Cc1ccc(Cl)cc1,VIXPMDJZNMHMMN-UHFFFAOYSA-N,0,1,0.653,48,40,484.812,5.6,4,0.32,0.84,1.0,0.9948341443355493,0.9887259269412652,0.9993232129394832,0.9989034336234666,0.995446679459941
EOS-0-01197,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)nc1,ZTTNVXHHJDZDPI-UHFFFAOYSA-N,0,1,0.676,23,400,371.322,3.225,4,0.539,0.73,1.0,0.9584418477143445,0.9629566170927284,0.8670498937701323,0.8829586731546843,0.9178517579329724
EOS-0-01198,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1ccccn1,RIQSWTXZWRJEMD-UHFFFAOYSA-N,0,1,0.747,79,824,411.44,4.614,5,0.408,0.81,1.0,0.9766208621753135,0.9584761154136111,0.7980775820711398,0.7956445754232061,0.8822047837708177
EOS-0-01199,COc1cccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,JLTPYMPENGRDEE-UHFFFAOYSA-N,0,1,0.825,48,444,384.342,4.194,4,0.496,0.81,1.0,0.9450003426769926,0.895217942567336,0.9506031115070934,0.8953550133644027,0.9215441025289562
EOS-0-01200,Fc1ccc(Oc2cncc3nnc(-c4ccccc4F)n23)cc1F,QMRXMJASNVUUJA-UHFFFAOYSA-N,0,1,0.676,23,254,342.28,4.001,4,0.565,0.82,1.0,0.9483671441299432,0.9354910561304914,0.9720032896991296,0.9794822150640806,0.9588359262559112
EOS-0-01201,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3F)n12,HHLVOCUZDQYKOK-UHFFFAOYSA-N,0,1,0.638,23,240,470.785,5.243,4,0.361,0.75,1.0,0.9911932012884654,0.992341169213899,0.9978925364950997,0.9980210403673497,0.9948619868412034
EOS-0-01202,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)cc1,FASMMAPGXJIZMD-UHFFFAOYSA-N,0,1,0.809,83,497,444.897,5.872,5,0.328,0.87,1.0,0.9789167980261805,0.9902251387841821,0.9538328421629771,0.9671372764032623,0.9725280138441506
EOS-0-01203,Fc1c(Cl)cccc1-c1nnc2cncc(OCCc3cccc(C(F)(F)F)c3)n12,PJXXBGLJEUEKQQ-UHFFFAOYSA-N,0,1,0.684,48,240,436.796,5.224,4,0.402,0.82,1.0,0.9808100884106641,0.9817610170653143,0.9975070248783496,0.9975155918031663,0.9893984305393736
EOS-0-01204,Clc1ccc(CCOc2cncc3nnc(-c4cc(Cl)cc(Cl)c4)n23)cc1,RKLMWPJKYVSAHK-UHFFFAOYSA-N,0,1,0.873,23,370,419.699,5.373,4,0.436,0.86,1.0,0.9244482900418066,0.9781372078678637,0.9575423206085943,0.9821893633061476,0.960579295456103
EOS-0-01205,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)cc1,JEOWGOCYDNMBFW-UHFFFAOYSA-N,0,1,0.625,23,708,357.295,3.183,4,0.561,0.83,1.0,0.9492752381605098,0.9354996230553081,0.8991672949078199,0.9121804537043383,0.924030652456994
EOS-0-01206,COc1cccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c1F,QYFTZJXXAYUUGL-UHFFFAOYSA-N,0,1,0.722,48,396,382.37,3.7,4,0.509,0.86,1.0,0.9509029538756768,0.892793502844219,0.8945411555068192,0.8450500308409293,0.8958219107669111
EOS-0-01207,COc1ccc(-c2nnc3cncc(OCc4ccccc4)n23)cc1,KFVZVLNXWYKCTK-UHFFFAOYSA-N,0,1,0.836,48,135,332.363,3.379,4,0.561,0.92,1.0,0.9363134809128915,0.5996933040915633,0.702522102666027,0.5902439860187787,0.7071932184223151
EOS-0-01208,Fc1cc(F)cc(COc2cncc3nnc(-c4ccccc4Cl)n23)c1,CBMPPYNYMMTVPK-UHFFFAOYSA-N,0,1,0.638,23,17,372.762,4.302,4,0.536,0.86,1.0,0.9441093824960592,0.9603694057980947,0.9663319854704955,0.9794907819888973,0.9625753889383867
EOS-0-01209,Fc1ccc(Oc2cncc3nnc(-c4ccccc4)n23)cc1,FHXMXNDBSHETCY-UHFFFAOYSA-N,0,1,0.758,48,254,306.3,3.723,4,0.579,0.93,1.0,0.9011719553149201,0.8626807621136316,0.8308203687204441,0.8636659584675485,0.8645847611541361
EOS-0-01210,Fc1ccc(CCOc2cncc3nnc(-c4cc(C(F)(F)F)ccc4Cl)n23)cc1,WKSGYGMSIANEHE-UHFFFAOYSA-N,0,1,0.739,48,240,436.796,5.224,4,0.402,0.84,1.0,0.9762096497841135,0.9803389075457474,0.9976869302994997,0.9978325680213831,0.9880170139126859
EOS-0-01211,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)c1,OTEIBZVAJRLESN-UHFFFAOYSA-N,0,1,0.615,23,627,406.314,4.108,4,0.37,0.78,1.0,0.9770320745665136,0.9869011719553149,0.9903193749571654,0.9925724761839491,0.9867062744157358
EOS-0-01212,Fc1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,MTTNHKDDJXPJFP-UHFFFAOYSA-N,0,1,0.7,83,23,414.415,5.316,5,0.391,0.84,1.0,0.9917928860256322,0.9811099307792475,0.9635820026043451,0.9697073538482627,0.976548043314372
EOS-0-01213,Clc1ccc(CCOc2cncc3nnc(-c4cccc(Br)c4Cl)n23)cc1,CFHIQCCLFDGHHY-UHFFFAOYSA-N,0,1,0.765,23,906,464.15,5.482,4,0.393,0.84,1.0,0.9712922349393461,0.9766379960249468,0.9421389897882256,0.9681396066068124,0.9645522068398327
EOS-0-01214,COc1cccc(CCOc2cncc3nnc(-c4cc(F)ccc4F)n23)c1,NSYFWDAKRVZJIS-UHFFFAOYSA-N,0,1,0.688,48,396,382.37,3.7,4,0.509,0.86,0.998,0.9441179494208759,0.9461825783016928,0.8957062572818861,0.8536854910561305,0.9099230690151463
EOS-0-01215,Cc1cc(Cl)ccc1-c1nnc2cncc(OCCc3cccc(Cl)c3)n12,GTYSVNYTAWPFPT-UHFFFAOYSA-N,0,1,0.739,48,231,399.281,5.028,4,0.473,0.89,1.0,0.9432098553903091,0.9766465629497636,0.90032382975807,0.9354139538071414,0.938898550476321
EOS-0-01216,Fc1ccc(CCOc2cncc3nnc(-c4cc5c(cc4Cl)OCO5)n23)cc1,ZDHLEDLBGFEDNI-UHFFFAOYSA-N,0,1,0.689,48,396,412.808,3.934,5,0.494,0.76,1.0,0.9766294291001302,0.9240370776506065,0.892202385031869,0.8829672400795011,0.9189590329655266
EOS-0-01217,Fc1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1,SZSVQTAWHIZJGE-UHFFFAOYSA-N,0,1,0.609,48,254,340.745,4.376,4,0.555,0.92,1.0,0.9136368309231718,0.9711637310670962,0.9364248509355082,0.9629394832430951,0.9460412240422178
EOS-0-01218,FC(F)(F)Oc1ccc(-c2nnc3cncc(Oc4cccnc4C(F)(F)F)n23)cc1,SUSULENGCXRGOB-UHFFFAOYSA-N,0,1,0.581,66,444,441.291,4.896,4,0.42,0.82,1.0,0.9847937084504146,0.9735624700157631,0.9987663628263999,0.9919899252964156,0.9872781166472483
EOS-0-01219,Fc1cccc(CCOc2cncc3nnc(-c4cccc5c4OCO5)n23)c1F,PXGAFHPKPDQOBK-UHFFFAOYSA-N,0,1,0.8,48,396,396.353,3.42,5,0.515,0.79,1.0,0.9569340689466109,0.7385031868960318,0.8654221780549654,0.8212082790761428,0.8455169282434378
EOS-0-01220,c1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,KYRAHSLZEKAUOA-UHFFFAOYSA-N,0,1,0.897,79,650,392.462,5.08,5,0.404,0.84,1.0,0.9713008018641628,0.9451117126996094,0.7934600095949558,0.8064217668425742,0.8790735727503255
EOS-0-01221,Fc1ccc(CCOc2cncc3nnc(-c4cc(Cl)ccc4OC(F)F)n23)cc1,VUPNFSONPXYRBO-UHFFFAOYSA-N,0,1,0.689,48,240,434.805,4.807,4,0.418,0.86,0.999,0.9694760468782126,0.970444109382496,0.9807929545610308,0.9813498046741141,0.9755157288739634
EOS-0-01222,Fc1ccc(-c2nnc3cncc(Oc4ccccc4F)n23)cc1,UJSXMZYHCBNLIR-UHFFFAOYSA-N,0,1,0.609,48,254,324.29,3.862,4,0.574,0.92,1.0,0.915050373517922,0.9536358028921939,0.9359365362209581,0.9490953327393599,0.9384295113426084
EOS-0-01223,CCOC(C)(C)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,BUTZPCGNKUWVPB-UHFFFAOYSA-N,0,1,0.797,48,378,420.488,4.824,4,0.409,0.8,1.0,0.9740079501062299,0.9412223288328422,0.9386693852374751,0.8391902542663285,0.923272479610719
EOS-0-01224,COc1cc(-c2nnc3cncc(Oc4cccc(F)c4)n23)ccc1OC(F)F,OHMFYUPOSAVORB-UHFFFAOYSA-N,0,1,0.797,48,254,402.332,4.333,4,0.478,0.88,1.0,0.9011805222397368,0.9584846823384278,0.9708895894729628,0.9387807552600919,0.9423338873278048
EOS-0-01225,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nc1,OWGQLLNDQFHSKS-UHFFFAOYSA-N,0,1,0.676,23,400,404.232,4.254,4,0.498,0.76,1.0,0.9569426358714276,0.9766551298745803,0.8696799396888493,0.9248595024330066,0.9320343019669659
EOS-0-01226,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OCC(F)(F)F)c(F)c4)n23)cc1,MARCWRAWFYGHSX-UHFFFAOYSA-N,0,1,0.73,48,240,450.367,4.632,4,0.384,0.8,1.0,0.9743591940237133,0.9789853334247138,0.9935662394626825,0.9842968268110479,0.9828018984305393
EOS-0-01227,FC(F)Oc1ccc(Cl)c(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,RSLHTMZRCYDGSN-UHFFFAOYSA-N,0,1,0.699,48,240,451.26,5.321,4,0.381,0.85,1.0,0.97436776094853,0.982489205674731,0.9840141182920978,0.9883661160989651,0.982309300253581
EOS-0-01228,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c(F)c1,JYPMQJHHIXRVEJ-UHFFFAOYSA-N,0,1,0.562,23,254,360.27,4.14,4,0.515,0.86,1.0,0.9562487149612775,0.9728428483311631,0.9897196902199986,0.9932835309437325,0.9780236961140429
EOS-0-01229,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)c1,VVVOMDHWNWVUQI-UHFFFAOYSA-N,0,1,0.699,23,627,406.314,4.108,4,0.37,0.74,1.0,0.9786512233568638,0.9863357549174149,0.9897282571448153,0.9918100198752656,0.9866313138235898
EOS-0-01230,FC(F)(F)Oc1ccc(-c2nnc3cncc(Oc4cccc5c4OCO5)n23)cc1,CFDFIXMPCSQNSO-UHFFFAOYSA-N,0,1,0.587,48,444,416.315,4.211,5,0.493,0.83,1.0,0.9822664656294976,0.9461911452265095,0.982566307998081,0.9413936673291755,0.9631043965458159
EOS-0-01231,Fc1ccccc1-c1nnc2cncc(OCc3ccccc3)n12,VDQNEONJCBFAPY-UHFFFAOYSA-N,0,1,0.701,48,135,320.327,3.509,4,0.577,0.95,1.0,0.8521091768898637,0.8996641765471867,0.8125728188609417,0.8391988211911452,0.8508862483722843
EOS-0-01232,COc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,BPZFUSHLRNPLMH-UHFFFAOYSA-N,0,1,0.768,48,231,415.28,4.728,4,0.456,0.83,1.0,0.9537985744637105,0.9369902679734082,0.8932903844835858,0.902902474127887,0.921745425262148
EOS-0-01233,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4Cl)n23)nc1,CDIQULXPISRQGC-UHFFFAOYSA-N,0,1,0.676,23,400,387.777,3.739,4,0.522,0.75,1.0,0.9538071413885272,0.962965184017545,0.8683520663422658,0.9064406140771709,0.9228912514563772
EOS-0-01234,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c(F)c1,AXBCZFAGUXFERQ-UHFFFAOYSA-N,0,1,0.562,23,254,376.725,4.654,4,0.522,0.85,1.0,0.9569512027962442,0.9789939003495305,0.9897368240696319,0.9954680967719828,0.9802875059968473
EOS-0-01235,Clc1cccc(-c2nnc3cncc(OCc4ccccc4)n23)c1,QLQPTLWVKDEJCQ-UHFFFAOYSA-N,0,1,0.71,48,135,336.782,4.024,4,0.564,0.91,1.0,0.8258686861764101,0.9369988348982249,0.8308289356452607,0.8815279967103009,0.8688061133575491
EOS-0-01236,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,NKJUCFQYBGRGFV-UHFFFAOYSA-N,0,1,0.679,91,660,412.428,4.009,5,0.419,0.78,1.0,0.9727057775340964,0.9704526763073127,0.7411675005140155,0.7366355972859983,0.8552403879103556
EOS-0-01237,CS(=O)(=O)c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,ISAXVNRUHIIJIV-UHFFFAOYSA-N,0,1,0.836,48,576,394.456,2.816,4,0.5,0.9,1.0,0.902851072578987,0.794333835926256,0.4292629017887739,0.4080254951682544,0.6336183263655678
EOS-0-01238,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4OC(F)F)n23)cc1,UXEYLPICBHNQCD-UHFFFAOYSA-N,0,1,0.733,48,40,400.36,4.153,4,0.466,0.84,1.0,0.9458741690082928,0.9461997121513261,0.9580991707216777,0.9436810362552258,0.9484635220341305
EOS-0-01239,Clc1ccccc1CCOc1cncc2nnc(-c3ccccc3Cl)n12,BDRYBWPWXSJHSB-UHFFFAOYSA-N,0,1,0.831,48,906,385.254,4.72,4,0.499,0.88,1.0,0.8653108080323487,0.9603779727229114,0.8908830786101021,0.9461825783016928,0.9156886094167638
EOS-0-01240,Clc1ccc(CCOc2cncc3nnc(-c4cc(Cl)ccc4Cl)n23)cc1,IKFBVAOMYNBDGJ-UHFFFAOYSA-N,0,1,0.773,23,370,419.699,5.373,4,0.436,0.84,1.0,0.9569597697210609,0.9653467891165787,0.9569426358714276,0.9830803234870811,0.965582379549037
EOS-0-01241,Clc1ccc(CCOc2cncc3nnc(-c4cccc5ccccc45)n23)cc1,UFYXAFIBVMEVDQ-UHFFFAOYSA-N,0,1,0.722,79,824,400.869,5.219,5,0.406,0.87,1.0,0.9623654992803783,0.9755756973476801,0.8724127887053663,0.9175433486395723,0.9319743334932493
EOS-0-01242,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1-c1ccccn1,XPFFPHSSLMXAEG-UHFFFAOYSA-N,0,1,0.724,79,824,411.44,4.614,5,0.408,0.76,1.0,0.9757813035432801,0.9662120485230622,0.7980861489959564,0.8021297375094236,0.8855523096429306
EOS-0-01243,Cc1cc(F)cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c1,GKRNPVYHMJDYFZ-UHFFFAOYSA-N,0,1,0.771,48,231,366.371,3.999,4,0.536,0.84,1.0,0.9329980810088411,0.9167980261805222,0.9037505996847371,0.9017202385031869,0.9138167363443218
EOS-0-01244,CS(=O)(=O)c1ccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,VRNLBNVRMWIIMC-UHFFFAOYSA-N,0,1,0.714,48,444,450.398,3.886,4,0.455,0.88,1.0,0.9363220478377082,0.9526591734630937,0.9635905695291618,0.9218782125968062,0.9436125008566925
EOS-0-01245,COc1cccc(-c2nnc3cncc(Oc4cccc(C(F)(F)F)c4)n23)c1,NKEGUNSAWWMPHB-UHFFFAOYSA-N,0,1,0.618,48,444,386.333,4.611,4,0.513,0.84,1.0,0.9604379411966281,0.9473476800767596,0.993086491672949,0.9739479816325132,0.9687050236447126
EOS-0-01246,Fc1ccccc1-c1nnc2cncc(OCc3c(F)cccc3F)n12,UQWAMOPYQAWCBV-UHFFFAOYSA-N,0,1,0.62,23,906,356.307,3.788,4,0.558,0.82,1.0,0.9483757110547598,0.9515454732369268,0.9635991364539784,0.9706411486532794,0.9585403673497361
EOS-0-01247,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)cc1,FKBXREFHDWMCFZ-UHFFFAOYSA-N,0,1,0.817,57,485,462.887,6.011,5,0.31,0.8,1.0,0.9856332670824481,0.9918614214241656,0.9776231923788636,0.9843053937358646,0.9848558186553353
EOS-0-01248,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)cc1,VKSLVOMBSDAOKE-UHFFFAOYSA-N,0,1,0.778,57,497,444.441,5.064,5,0.396,0.7,1.0,0.9860444794736481,0.980347474470564,0.9558375025700775,0.9469107669111095,0.9672850558563498
EOS-0-01249,COc1cccc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)c1,UPOIULBPZNQCEL-UHFFFAOYSA-N,0,1,0.709,48,396,382.37,3.7,4,0.509,0.83,1.0,0.9483842779795765,0.9019001439243369,0.9003323966828867,0.8552789390720307,0.9014739394147077
EOS-0-01250,Oc1ccc(F)cc1-c1nnc2cncc(OCCc3ccc(F)cc3)n12,ZKVBADPLJHHFGI-UHFFFAOYSA-N,0,1,0.718,48,231,368.343,3.397,4,0.585,0.8,1.0,0.9441265163456926,0.8402525529435954,0.8885700089096018,0.8843122472757179,0.8893153313686519
EOS-0-01251,FC(F)OCc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,KITLMUFIPIGNQA-UHFFFAOYSA-N,0,1,0.739,48,135,396.397,4.152,4,0.448,0.86,1.0,0.962374066205195,0.914947570420122,0.9282263038859571,0.8968199575080529,0.9255919745048318
EOS-0-01252,CC(Oc1cncc2nnc(-c3ccc(F)c(C#N)c3)n12)c1ccccc1,KLRWTUSHPJYTIR-UHFFFAOYSA-N,0,1,0.61,48,135,359.364,3.942,4,0.552,0.75,0.999,0.9591614693989445,0.960386539647728,0.963222191762045,0.9454029881433761,0.9570432972380234
EOS-0-01253,Fc1cccc(Oc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,KPGIGRCUIHZZKT-UHFFFAOYSA-N,0,1,0.676,23,254,342.28,4.001,4,0.565,0.9,1.0,0.9059351655129875,0.9556832979233775,0.9687735590432458,0.9788225618531972,0.952303646083202
EOS-0-01254,Fc1ccccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3F)n12,LSFMCIJHCFGJNG-UHFFFAOYSA-N,0,1,0.757,23,906,388.324,3.969,4,0.384,0.79,1.0,0.9659207730792955,0.977177712288397,0.9782657117401138,0.9797563566582139,0.9752801384415051
EOS-0-01255,Fc1ccc(-c2nnc3cncc(OCC(F)(F)c4ccc(F)cc4F)n23)c(F)c1,GZCFEXPPYAKKFW-UHFFFAOYSA-N,0,1,0.671,23,370,424.304,4.519,4,0.442,0.68,1.0,0.982566307998081,0.9834058666301144,0.9992718113905832,0.9995373860599,0.9911953430196696
EOS-0-01256,COc1cc(F)ccc1Oc1cncc2nnc(-c3ccccc3)n12,QPIZOSYOSWIXET-UHFFFAOYSA-N,0,1,0.63,48,254,336.326,3.731,4,0.568,0.89,1.0,0.9509115208004935,0.8626893290384483,0.8082722226029745,0.7366441642108149,0.8396293091631828
EOS-0-01257,N=C(N)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,QFPVHAKKOZTSHV-UHFFFAOYSA-N,0,1,0.826,48,948,427.295,4.004,4,0.358,0.86,1.0,0.9584504146391611,0.9277722568706737,0.8144147076965252,0.7795216229182372,0.8700397505311493
EOS-0-01258,Fc1cccc(CCOc2cncc3nnc(-c4ccccc4C(F)(F)F)n23)c1,QGTWWJPCCCWFEA-UHFFFAOYSA-N,0,1,0.693,48,240,402.351,4.571,4,0.459,0.83,1.0,0.9546467000205606,0.9629737509423617,0.9932064286203824,0.9864728257144816,0.9743249263244467
EOS-0-01259,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(OC(F)F)c(OC(F)F)c4)n23)c1,FVMODEOATZGBRY-UHFFFAOYSA-N,0,1,0.651,48,240,484.356,4.894,4,0.315,0.72,1.0,0.9903108080323487,0.9932749640189158,0.9954423959975327,0.9932920978685491,0.9930800664793366
EOS-0-01260,Fc1cnc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1F,CGISOGLQEFHXHQ-UHFFFAOYSA-N,0,1,0.658,23,281,405.767,3.879,4,0.504,0.74,1.0,0.9569683366458775,0.9785655541086972,0.9400315262833253,0.9562744157357275,0.9579599581934068
EOS-0-01261,Fc1ccccc1CCOc1cncc2nnc(-c3ccccc3OC(F)F)n12,GOIJANRTSFHHMK-UHFFFAOYSA-N,0,1,0.688,48,135,400.36,4.153,4,0.466,0.88,1.0,0.9432184223151258,0.9412308957576588,0.9538414090877938,0.9405712425467754,0.9447154924268385
EOS-0-01262,COc1ccc(F)cc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12,FQGBORVVUMPZNF-UHFFFAOYSA-N,0,1,0.716,23,86,400.36,3.839,4,0.492,0.79,1.0,0.9591700363237612,0.8794976355287506,0.9494637105064766,0.9239342745528065,0.9280164142279488
EOS-0-01263,Clc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cc1,DSNZJODZGBHUNT-UHFFFAOYSA-N,0,1,0.814,79,590,442.906,5.859,5,0.316,0.84,1.0,0.9836286066753478,0.9869097388801316,0.8885785758344185,0.8968285244328695,0.9389863614556919
EOS-0-01264,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(Oc3ccccc3)n12,ABJIFQJJXVUFOB-UHFFFAOYSA-N,0,1,0.606,48,254,374.297,4.742,4,0.486,0.87,1.0,0.9483928449043931,0.9718062504283462,0.9969930093893496,0.9950911520800494,0.9780708142005345
EOS-0-01265,Fc1cccc(F)c1-c1nnc2cncc(OCc3ccccc3)n12,XJCYXVFYDBBWTQ-UHFFFAOYSA-N,0,1,0.657,48,906,338.317,3.649,4,0.57,0.9,1.0,0.9466708930162429,0.897462476869303,0.9015317661572202,0.9153673497361388,0.9152581214447262
EOS-0-01266,N#Cc1ccc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1,CDWRRCMDYHVAHL-UHFFFAOYSA-N,0,1,0.676,15,482,343.35,2.074,4,0.546,0.82,1.0,0.9320300185045576,0.9294085395106573,0.3821619491467343,0.3955092180111027,0.6597774312932629
EOS-0-01267,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1Cl,DHVDXMWXSIMGRT-UHFFFAOYSA-N,0,1,0.908,79,650,461.352,6.387,5,0.294,0.88,1.0,0.9907477211979988,0.9877664313617983,0.954612432321294,0.9702042354876294,0.9758327050921801
EOS-0-01268,CC(C)(O)c1ccccc1COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,PTLLUPPCVNJGOQ-UHFFFAOYSA-N,0,1,0.653,48,40,444.413,4.496,4,0.472,0.77,1.0,0.9841426221643479,0.9277808237954903,0.9945171681173326,0.9711294633678295,0.96939251936125
EOS-0-01269,Oc1cc(F)ccc1-c1nnc2cncc(OCCc3cccc(F)c3)n12,FQCKWFCOYFYDKQ-UHFFFAOYSA-N,0,1,0.689,48,231,368.343,3.397,4,0.585,0.81,1.0,0.9320385854293742,0.9203961346035228,0.8839353025837845,0.8843208142005345,0.905172709204304
EOS-0-01270,Fc1ccccc1Oc1cncc2nnc(-c3cccc(OC(F)(F)F)c3)n12,FFDMVVBXOJJIIS-UHFFFAOYSA-N,0,1,0.557,48,444,390.296,4.621,4,0.476,0.91,1.0,0.9458827359331095,0.9741450209032966,0.9947056404632993,0.9907562881228155,0.9763724213556303
EOS-0-01271,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)cc1,FJXFLPBGGFOTDB-UHFFFAOYSA-N,0,1,0.74,57,222,447.42,4.892,5,0.347,0.77,1.0,0.9819494894112809,0.9836800082242478,0.960052429579878,0.9580649030224111,0.9709367075594544
EOS-0-01272,COc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1OC,CXJGXRIMFVFXIP-UHFFFAOYSA-N,0,1,0.714,48,396,394.406,3.569,4,0.477,0.83,1.0,0.9694846138030293,0.8299379754643273,0.7893735864574053,0.6052875059968473,0.7985209204304022
EOS-0-01273,COc1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)n1,VAOIBVHZFMQHEN-UHFFFAOYSA-N,0,1,0.645,48,400,365.368,2.956,4,0.523,0.84,1.0,0.9450089096018094,0.9355081899801247,0.5071276814474677,0.43040230278939073,0.7045117709546982
EOS-0-01274,COc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1Cl,MAJKIVYSCYBWKH-UHFFFAOYSA-N,0,1,0.743,48,396,415.28,4.728,4,0.456,0.82,1.0,0.9584589815639778,0.945120279624426,0.9088222191762045,0.9110153519292715,0.93085420807347
EOS-0-01275,FC(F)(F)Oc1ccc(-c2nnc3cncc(Oc4cccc(OC(F)(F)F)c4)n23)cc1,ARHQWVWKCYJKHY-UHFFFAOYSA-N,0,1,0.712,48,444,456.302,5.381,4,0.376,0.86,1.0,0.9825748749228976,0.9741535878281132,0.9997001576314166,0.9989291343979165,0.9888394386950861
EOS-0-01276,Fc1cccc(F)c1-c1nnc2cncc(OCCc3cccc(C(F)(F)F)c3)n12,WTVNDPLHYFNSHY-UHFFFAOYSA-N,0,1,0.694,48,240,420.341,4.71,4,0.439,0.82,1.0,0.972328832842163,0.9704612432321293,0.9968559385922829,0.9954766636967994,0.9837806695908436
EOS-0-01277,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccsc4)n23)cc1,XRYSIUGCJMMPAW-UHFFFAOYSA-N,0,1,0.773,90,305,374.372,4.033,4,0.51,0.85,1.0,0.9501233637173601,0.8738605989993832,0.9257161949146734,0.8872078678637516,0.9092270063737921
EOS-0-01278,COc1ccc(F)c(-c2nnc3cncc(OCCc4ccccc4)n23)c1,ILMPWFKAGYTLTG-UHFFFAOYSA-N,0,1,0.783,48,396,364.38,3.561,4,0.523,0.84,1.0,0.9150589404427387,0.8564440408470976,0.7738845863888698,0.7012541977931601,0.8116604413679666
EOS-0-01279,CS(=O)(=O)c1ccccc1COc1cncc2nnc(-c3ccc(F)cc3)n12,YFDULLXJHHTRDB-UHFFFAOYSA-N,0,1,0.7,48,17,398.419,2.913,4,0.514,0.88,1.0,0.9410167226372421,0.9204047015283394,0.60016448495648,0.6379960249468851,0.7748954835172367
EOS-0-01280,FC(F)(F)Oc1cccc(-c2nnc3cncc(OCCc4ccccn4)n23)c1,GFGUOAQUBBTPMR-UHFFFAOYSA-N,0,1,0.724,48,305,401.348,3.706,4,0.49,0.87,1.0,0.9011890891645535,0.9339747104379412,0.9475789870468097,0.8885271742855184,0.9178174902337057
EOS-0-01281,Fc1ccc(CCOc2cncc3nnc(-c4c(F)cccc4Cl)n23)c(F)c1,JBLPYRHCTPUKPA-UHFFFAOYSA-N,0,1,0.681,23,370,404.779,4.484,4,0.492,0.78,1.0,0.9554776917277774,0.9746247686930299,0.9735196353916798,0.9840997875402645,0.971930470838188
EOS-0-01282,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1F,SZGOFYUQJRWOEZ-UHFFFAOYSA-N,0,1,0.817,79,590,444.441,5.483,5,0.333,0.8,1.0,0.9813412377492975,0.9803560413953807,0.9440579809471592,0.9327410732643411,0.9596240833390446
EOS-0-01283,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1Cl,IJOVWJNIALJTKQ-UHFFFAOYSA-N,0,1,0.671,90,400,381.823,3.47,4,0.509,0.8,1.0,0.9363306147625249,0.9294171064354739,0.6001730518812967,0.5554794051127407,0.755350044548009
EOS-0-01284,COc1ccc(CCOc2cncc3nnc(-c4c(F)cccc4F)n23)cc1,MCGXHCZUCUEVGD-UHFFFAOYSA-N,0,1,0.7,48,396,382.37,3.7,4,0.509,0.9,1.0,0.9352854499348914,0.9019087108491536,0.8839438695086012,0.8331848399698444,0.8885807175656226
EOS-0-01285,Fc1cc(F)cc(CCOc2cncc3nnc(-c4cc(F)cc(Br)c4)n23)c1,IOYMAAMTCWXPBS-UHFFFAOYSA-N,0,1,0.841,23,370,449.23,4.593,4,0.447,0.75,1.0,0.9432269892399424,0.9704698101569461,0.9695360153519292,0.9747875402645466,0.9645050887533411
EOS-0-01286,Fc1cc(F)cc(CCOc2cncc3nnc(-c4c(F)cccc4F)n23)c1,MSFFKTRSCJXQTB-UHFFFAOYSA-N,0,1,0.686,23,370,388.324,3.969,4,0.486,0.76,1.0,0.9562572818860942,0.9653553560413953,0.9712494003152629,0.9777088616270304,0.9676427249674457
EOS-0-01287,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1F,DLTVZEJKKLORLF-UHFFFAOYSA-N,0,1,0.708,23,627,422.769,4.623,4,0.348,0.77,1.0,0.9777002947022136,0.982232197930231,0.9870382427523816,0.9916729490781989,0.9846609211157563
EOS-0-01288,Fc1ccc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cc1,LKLPVTONNZQKSO-UHFFFAOYSA-N,0,1,0.662,90,708,339.305,3.044,4,0.572,0.92,1.0,0.8760879994517168,0.8819820437255843,0.8422914810499623,0.860376259337948,0.8651844458913028
EOS-0-01289,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)cc1,BQQVHRKINPLALV-UHFFFAOYSA-N,0,1,0.671,90,708,339.305,3.044,4,0.572,0.89,1.0,0.8818449729285176,0.9019172777739702,0.8391816873415119,0.8520663422657803,0.8687525700774451
EOS-0-01290,Nc1cccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c1,VEKCAKQBOQQPKO-UHFFFAOYSA-N,0,1,0.87,48,231,349.369,3.134,4,0.56,0.87,1.0,0.8740833390446165,0.8106109930779247,0.7283685148379138,0.712502570077445,0.781391354259475
EOS-0-01291,CCOc1cccc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)c1,SMTBOLYWIQAAFT-UHFFFAOYSA-N,0,1,0.699,48,254,368.343,4.261,4,0.527,0.83,1.0,0.9320471523541909,0.9019258446987869,0.9282348708107737,0.8953635802892194,0.9143928620382428
EOS-0-01292,Fc1cc(F)c(Oc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c(F)c1,MXRVRHFEHPJWLN-UHFFFAOYSA-N,0,1,0.548,23,627,378.26,4.279,4,0.5,0.81,1.0,0.9689534644643959,0.9761239805359468,0.9939945857035158,0.9964275923514495,0.983874905763827
EOS-0-01293,Fc1ccc(CCOc2cncc3nnc(-c4ccc5ccc(F)c(F)c5c4)n23)cn1,HCOAOUJOWRWVGE-UHFFFAOYSA-N,0,1,0.593,88,669,421.382,4.378,5,0.394,0.76,1.0,0.9827462134192311,0.9824977725995476,0.9519309848536769,0.9522736618463437,0.9673621581796998
EOS-0-01294,Fc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4F)n23)c(F)c1,MUTRCZLAHINJNV-UHFFFAOYSA-N,0,1,0.571,23,444,426.276,4.9,4,0.435,0.79,1.0,0.97513878418203,0.9834144335549311,0.9991004728942499,0.9990747721197999,0.9891821156877527
EOS-0-01295,Fc1ccc(-c2nnc3cncc(Oc4ccccc4F)n23)cc1Cl,MQEXZXJSJYIWKR-UHFFFAOYSA-N,0,1,0.554,23,254,358.735,4.515,4,0.54,0.87,1.0,0.935294016859708,0.9718148173531629,0.9752929888287301,0.9851106846686314,0.966878126927558
EOS-0-01296,Clc1cccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccc5)cc4)n23)c1,TYJOMYVLWMNRLA-UHFFFAOYSA-N,0,1,0.772,79,824,456.933,5.645,5,0.302,0.86,1.0,0.9777088616270304,0.9798505928311974,0.8957148242067028,0.8885357412103352,0.9354525049688165
EOS-0-01297,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1,WDFHQYKJZKQLQK-UHFFFAOYSA-N,0,1,0.821,91,883,401.401,4.207,5,0.424,0.82,1.0,0.9708553217736962,0.9222380234391063,0.8082807895277911,0.7816719210472209,0.8707615139469537
EOS-0-01298,Fc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)cn1,XZQJJHDLGCZVOX-UHFFFAOYSA-N,0,1,0.789,90,400,369.787,3.6,4,0.503,0.84,1.0,0.892844904393119,0.9483928449043931,0.8041686656157906,0.8467377150298129,0.8730360324857789
EOS-0-01299,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)cc1,IERMHHXKCSFQAO-UHFFFAOYSA-N,0,1,0.786,91,660,400.413,4.812,5,0.409,0.85,1.0,0.9762182167089302,0.9370074018230417,0.8683606332670825,0.8569580563360976,0.909636077033788
EOS-0-01300,Fc1ccc(Oc2cncc3nnc(-c4cccc(OC(F)(F)F)c4)n23)c(F)c1,QCEWDEJHERQNAI-UHFFFAOYSA-N,0,1,0.577,48,444,408.286,4.76,4,0.456,0.88,1.0,0.9530275512302104,0.9776488931533137,0.9980039065177164,0.9970615447878829,0.9814354739222808
EOS-0-01301,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc5ccccc5n4)n23)cc1,LMBKRWXBDMOMJU-UHFFFAOYSA-N,0,1,0.605,1,640,451.408,4.86,5,0.367,0.84,1.0,0.9819580563360976,0.9776574600781304,0.9600609965046947,0.9290744294428072,0.9621877355904324
EOS-0-01302,Fc1cc(F)cc(CCOc2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)c1,ZGHCKOBNUBAERS-UHFFFAOYSA-N,0,1,0.712,48,240,420.341,4.71,4,0.439,0.81,1.0,0.9598039887601947,0.9735710369405798,0.9974641902542664,0.9965132615996162,0.9818381193886643
EOS-0-01303,FC(F)(F)c1ccccc1-c1nnc2cncc(OCCc3ccccc3)n12,MSBGJEIZCQUJOR-UHFFFAOYSA-N,0,1,0.766,48,135,384.361,4.432,4,0.511,0.87,1.0,0.9244568569666233,0.9067832910698376,0.9844938660818313,0.9641217188677952,0.9449639332465218
EOS-0-01304,COc1ccccc1CCOc1cncc2nnc(-c3cccc(OC(F)(F)F)c3)n12,BFPUPXVMDACQPA-UHFFFAOYSA-N,0,1,0.651,48,40,430.386,4.32,4,0.435,0.85,1.0,0.965338222191762,0.9451288465492427,0.97483037488863,0.9153759166609554,0.9501683400726475
EOS-0-01305,Clc1ccc(-c2nnc3cncc(OCc4ccccn4)n23)cc1,FPRQFVVNADOTPP-UHFFFAOYSA-N,0,1,0.815,4,708,337.77,3.419,4,0.571,0.88,1.0,0.7536066753478171,0.9462082790761428,0.670156260708656,0.7366527311356316,0.7766559865670618
EOS-0-01306,FC(F)(F)Oc1ccc(-c2nnc3cncc(Oc4ccsc4)n23)cc1,FJSUENFDUIGHGX-UHFFFAOYSA-N,0,1,0.632,68,305,378.335,4.544,4,0.522,0.82,1.0,0.969493180727846,0.9425073675553424,0.9861558494962648,0.9641302857926118,0.9655716708930162
EOS-0-01307,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,CXBIMZLCWRCLGC-UHFFFAOYSA-N,0,1,0.786,91,660,418.844,4.116,5,0.409,0.78,1.0,0.9584675484887945,0.9603951065725447,0.6622918237269549,0.6785004454800905,0.8149137310670962
EOS-0-01308,N#Cc1ccc(CCOc2cncc3nnc(-c4cccc5ccccc45)n23)cc1,KSVNMWOPQRVOBJ-UHFFFAOYSA-N,0,1,0.689,79,824,391.434,4.438,5,0.443,0.81,1.0,0.9623826331300116,0.9355167569049414,0.8565382770200809,0.8716931670207663,0.90653270851895
EOS-0-01309,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1,LPEHEGSLVRRUOP-UHFFFAOYSA-N,0,1,0.71,48,305,406.389,4.373,4,0.476,0.8,1.0,0.9659293400041121,0.9355253238297581,0.9731169899252964,0.9362535124391749,0.9527062915495854
EOS-0-01310,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(Cl)c1,ITIGHNOYNZFOMK-UHFFFAOYSA-N,0,1,0.676,23,400,404.232,4.254,4,0.498,0.76,1.0,0.9530361181550271,0.9611575628812281,0.8696885066136659,0.9259646357343568,0.9274617058460695
EOS-0-01311,COc1ccc(CCOc2cncc3nnc(-c4cccc(C#N)c4)n23)cc1,ZKHCQYAPLDMUDL-UHFFFAOYSA-N,0,1,0.743,48,576,371.4,3.293,4,0.517,0.89,1.0,0.9320557192790077,0.7819974641902543,0.7957816462202728,0.6814817353162909,0.7978291412514563
EOS-0-01312,CCOc1ccccc1Oc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,ORXUAAOTWYWKMD-UHFFFAOYSA-N,0,1,0.634,48,444,416.359,4.881,4,0.446,0.8,1.0,0.9713093687889796,0.9526677403879104,0.9817438832156808,0.9345401274758413,0.960065279967103
EOS-0-01313,COc1ccc2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2c1,FQQUZSNGMLKKRZ-UHFFFAOYSA-N,0,1,0.819,79,824,396.45,4.575,5,0.421,0.84,1.0,0.9501319306421767,0.8899492838050853,0.789382153382222,0.7391285724076485,0.8421479850592831
EOS-0-01314,COc1cc(-c2nnc3cncc(Oc4ccccc4)n23)ccc1OC(F)(F)F,YPVRNLYGFCNATD-UHFFFAOYSA-N,0,1,0.691,48,444,402.332,4.491,4,0.49,0.89,1.0,0.947493317798643,0.889957850729902,0.9837314097731479,0.9396717154410252,0.9402135734356796
EOS-0-01315,Fc1ccc(F)c(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)c1,SOKMKADHMRWTGT-UHFFFAOYSA-N,0,1,0.554,23,370,390.752,4.441,4,0.517,0.81,1.0,0.9611232951819615,0.9619799876636282,0.984965046946748,0.9923754369131657,0.9751109416763759
EOS-0-01316,FC(F)(F)c1ccc(Oc2cncc3nnc(-c4ccccc4Cl)n23)cc1,ZMIGXSGVCYLQTK-UHFFFAOYSA-N,0,1,0.671,48,254,390.752,5.256,4,0.479,0.89,1.0,0.9393461722979919,0.9690734014118292,0.9973271194571997,0.997781166472483,0.975881964909876
EOS-0-01317,COc1cc(F)ccc1-c1nnc2cncc(OCCc3cccc(Cl)c3)n12,WHQCWSMSDXDJBC-UHFFFAOYSA-N,0,1,0.684,48,396,398.825,4.214,4,0.486,0.86,1.0,0.9492838050853266,0.922246590363923,0.8839524364334178,0.8758309917072168,0.9078284558974711
EOS-0-01318,FC(F)Oc1ccccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,YJYZDSKFVDEIBA-UHFFFAOYSA-N,0,1,0.733,48,40,416.815,4.668,4,0.438,0.84,1.0,0.9501404975669934,0.9397659516140087,0.9591015009252278,0.9555719279007607,0.9511449695017477
EOS-0-01319,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5Cl)c(F)c4)n23)cc1,UIRRJRQTVHLXOF-UHFFFAOYSA-N,0,1,0.73,57,222,463.875,5.406,5,0.337,0.76,1.0,0.9844767322321979,0.9847937084504146,0.9414108011788088,0.9535929682681105,0.966068552532383
EOS-0-01320,c1ccc(-c2nnc3cncc(OCCc4c[nH]c5ccccc45)n23)cc1,ZGXYSFOWNXYVPQ-UHFFFAOYSA-N,0,1,0.627,48,135,355.401,3.894,5,0.519,0.88,1.0,0.9458913028579261,0.8952265094921527,0.6064611746967309,0.6495870742238367,0.7742915153176616
EOS-0-01321,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cc1,QXSUCHSEYXUUJD-UHFFFAOYSA-N,0,1,0.826,79,650,426.907,5.733,5,0.347,0.85,1.0,0.9641645534918786,0.9836885751490645,0.8981563977794531,0.9239428414776232,0.9424880919745049
EOS-0-01322,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,HCIUWSYATZZKQJ-UHFFFAOYSA-N,0,1,0.797,91,883,427.895,5.128,5,0.376,0.84,1.0,0.9695017476526626,0.9750959495579467,0.865430744979782,0.8815365636351176,0.9228912514563772
EOS-0-01323,Cc1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1,VPCGIQZZCARQIJ-UHFFFAOYSA-N,0,1,0.589,48,254,338.317,4.17,4,0.562,0.9,1.0,0.9410252895620588,0.9240456445754232,0.9434240285107258,0.937178740319375,0.9364184257418957
EOS-0-01324,Fc1cc(Cl)ccc1-c1nnc2cncc(Oc3cccc(Cl)c3)n12,QWYYSSPRRXXSKP-UHFFFAOYSA-N,0,1,0.676,23,254,375.19,5.03,4,0.504,0.89,1.0,0.9150675073675554,0.9771862792132137,0.9695445822767459,0.9891200054828319,0.9627295935850867
EOS-0-01325,Clc1cccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)c1,HSXUXLSSEHPYDB-UHFFFAOYSA-N,0,1,0.794,23,906,419.699,5.373,4,0.436,0.8,1.0,0.9410338564868754,0.9817695839901309,0.9482215064080598,0.9811013638544308,0.9630315776848742
EOS-0-01326,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1,RBGZMCUUYXXJKJ-UHFFFAOYSA-N,0,1,0.68,48,305,466.217,4.426,4,0.434,0.78,1.0,0.9458998697827428,0.9536443698170105,0.9813755054485642,0.9555804948255774,0.9591250599684737
EOS-0-01327,OCc1cccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1,QRFMSYQVMARYEP-UHFFFAOYSA-N,0,1,0.72,48,135,380.835,3.559,4,0.553,0.87,1.0,0.8910544171064355,0.8684548694400658,0.842300047974779,0.8502844219039134,0.8630234391062984
EOS-0-01328,Fc1cccc(CCOc2cncc3nnc(-c4ccccc4OC(F)F)n23)c1F,BHHLEPDZMCHARA-UHFFFAOYSA-N,0,1,0.642,48,40,418.35,4.292,4,0.419,0.81,1.0,0.9611318621067781,0.9662206154478789,0.9794393804399972,0.9718919196765129,0.9696709444177918
EOS-0-01329,N#Cc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)c1,KCWAJIKOFHKUKE-UHFFFAOYSA-N,0,1,0.767,79,824,435.462,5.091,5,0.371,0.74,1.0,0.9723373997669796,0.9840826536906312,0.9248595024330066,0.9239514084024398,0.9513077410732642
EOS-0-01330,OCc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1F,KIOCOAOWLYHTSQ-UHFFFAOYSA-N,0,1,0.532,23,254,372.306,3.493,4,0.594,0.84,1.0,0.9569769035706943,0.942515934480159,0.9785141525597971,0.9760040435885134,0.963502758549791
EOS-0-01331,Fc1ccc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1Cl,BLISRRMSNUFCEH-UHFFFAOYSA-N,0,1,0.662,90,400,370.775,2.995,4,0.537,0.77,1.0,0.8995185388253033,0.9619885545884449,0.6212134192310328,0.709769721060928,0.7981225584264273
EOS-0-01332,Fc1cccc(COc2cncc3nnc(-c4cc(F)cc(C(F)(F)F)c4)n23)c1,ZITKFLOFDGZLFS-UHFFFAOYSA-N,0,1,0.635,48,240,406.314,4.667,4,0.463,0.78,1.0,0.9699472277431294,0.9629823178671784,0.9988520320745665,0.9985778904804331,0.9825898670413268
EOS-0-01333,FC(F)(F)c1cccc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)c1,MKGOMHBPSJAGLL-UHFFFAOYSA-N,0,1,0.686,48,254,390.752,5.256,4,0.479,0.86,1.0,0.9353025837845247,0.9619971215132616,0.9979011034199163,0.9980981426906997,0.9733247378521006
EOS-0-01334,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Oc5c(F)cccc5F)cc4)n23)c1,GKTIHASGZRHFMJ-UHFFFAOYSA-N,0,1,0.679,79,590,462.431,5.622,5,0.314,0.74,1.0,0.9903193749571654,0.9908333904461655,0.9667431978616956,0.9592985401960112,0.9767986258652595
EOS-0-01335,Clc1cccc(-c2nnc3cncc(OCCc4cccs4)n23)c1,VRMFRXYQCIKSHX-UHFFFAOYSA-N,0,1,0.703,90,400,356.838,4.128,4,0.539,0.86,1.0,0.8818535398533343,0.9440151463230758,0.5935679528476459,0.7012627647179769,0.7801748509355082
EOS-0-01336,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4F)n23)cn1,LBICLXBMHYVCGL-UHFFFAOYSA-N,0,1,0.783,48,906,353.332,3.086,4,0.516,0.88,1.0,0.8893238982934686,0.9043759851963539,0.7832910698375711,0.7956531423480228,0.8431610239188541
EOS-0-01337,Fc1ccc(-c2nnc3cncc(Oc4ccccc4)n23)c(F)c1,IITZERVWTFCMNQ-UHFFFAOYSA-N,0,1,0.612,48,254,324.29,3.862,4,0.574,0.9,1.0,0.8980707285312864,0.9149561373449386,0.9164553491878555,0.9354225207319581,0.9162261839490097
EOS-0-01338,Nc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,NNHQLPRHMPZEJS-UHFFFAOYSA-N,0,1,0.85,48,135,331.379,2.995,4,0.569,0.9,1.0,0.945017476526626,0.4389006922075252,0.5071362483722843,0.47424782400109655,0.591325560276883
EOS-0-01339,Fc1cc(F)cc(CCOc2cncc3nnc(-c4cc(F)c(F)c(C(F)(F)F)c4)n23)c1,BEPXXAHAALEEJU-UHFFFAOYSA-N,0,1,0.658,23,240,456.321,4.988,4,0.397,0.72,1.0,0.9865156603385649,0.9785741210335138,0.99951168528545,0.9994688506613666,0.9910175793297238
EOS-0-01340,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c(Cl)c1,DGYMDPVZZZRSBL-UHFFFAOYSA-N,0,1,0.794,23,370,454.144,6.026,4,0.37,0.75,1.0,0.9754643273250634,0.9904393119045988,0.9790453018984305,0.9953310259749161,0.9850699917757522
EOS-0-01341,Fc1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1,ZOWBSEJFXNQPFO-UHFFFAOYSA-N,0,1,0.667,23,254,375.19,5.03,4,0.504,0.87,1.0,0.9231118497704064,0.9735796038653964,0.9712579672400795,0.9893855801521486,0.9643337502570077
EOS-0-01342,Clc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)c1,HDNWROGEJIPUDR-UHFFFAOYSA-N,0,1,0.786,23,370,419.699,5.373,4,0.436,0.82,1.0,0.9340261119868412,0.9790024672743473,0.9569512027962442,0.9834144335549311,0.963348553903091
EOS-0-01343,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccccn4)n23)cc1,BDMCGRBQZIVTEG-UHFFFAOYSA-N,0,1,0.851,48,305,387.321,3.664,4,0.52,0.79,1.0,0.8178329106983757,0.881990610650401,0.9708981563977794,0.9269840997875403,0.899426444383524
EOS-0-01344,Fc1ccc(-c2nnc3cncc(OCc4ccccn4)n23)cc1Cl,JFDJPLAIALRPED-UHFFFAOYSA-N,0,1,0.791,90,708,355.76,3.558,4,0.56,0.81,1.0,0.7965955040778562,0.9204132684531561,0.8487852100609965,0.8745630868343499,0.8600892673565896
EOS-0-01345,CC(Oc1cncc2nnc(-c3cccc(OC(F)(F)F)c3)n12)c1ccccc1F,ZBDNFCDAUXVAIL-UHFFFAOYSA-N,0,1,0.565,48,40,418.35,4.969,4,0.429,0.75,1.0,0.9808186553354807,0.9690819683366458,0.9972585840586663,0.9936690425604825,0.9852070625728188
EOS-0-01346,Cc1cccnc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,OPTNLRLAUBCDSN-UHFFFAOYSA-N,0,1,0.662,90,400,351.797,3.727,4,0.56,0.88,1.0,0.915076074292372,0.9324754985950243,0.6241261736686999,0.6638767048180385,0.7838886128435336
EOS-0-01347,CC(C)(c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1)C(F)(F)F,XRJNYRXAXPFPMB-UHFFFAOYSA-N,0,1,0.726,48,240,444.432,5.392,4,0.374,0.8,1.0,0.9770406414913303,0.9675484887944623,0.9965475292988829,0.9893941470769653,0.9826327016654102
EOS-0-01348,Fc1ccc2c(CCOc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)c[nH]c2c1,VLHAWWKNKQVDAR-UHFFFAOYSA-N,0,1,0.553,48,40,457.387,4.932,5,0.366,0.83,1.0,0.9795935850866972,0.9825063395243643,0.9901651703104654,0.9819323555616476,0.9835493626207936
EOS-0-01349,FC(F)(F)Oc1ccc(-c2nnc3cncc(OC4CCOc5ccccc54)n23)cc1,JNALMKKVUCNLQH-UHFFFAOYSA-N,0,1,0.583,48,40,428.37,4.593,5,0.474,0.69,1.0,0.9851363854430814,0.9397745185388253,0.9866270303611816,0.9661692138989788,0.9694267870605168
EOS-0-01350,Fc1ccc(-c2nnc3cncc(OCC45CCCC4CC5)n23)cc1,IJXNWELVJKWVER-UHFFFAOYSA-N,0,1,0.725,78,548,338.386,3.89,5,0.724,0.53,1.0,0.9554862586525941,0.9484014118292098,0.035021588650538005,0.565091494757042,0.6260001884723461
EOS-0-01351,Clc1ccc2c(-c3nnc4cncc(OCCc5ccccc5)n34)cccc2c1,DKWHJLHIZAPVRL-UHFFFAOYSA-N,0,1,0.697,79,824,400.869,5.219,5,0.406,0.86,1.0,0.9459084367075594,0.9690905352614625,0.8625608251661984,0.909893084778288,0.921863220478377
EOS-0-01352,Fc1cccc(Oc2cncc3nnc(-c4ccccc4)n23)c1,HYGPDVWTDFNTHD-UHFFFAOYSA-N,0,1,0.778,48,254,306.3,3.723,4,0.579,0.93,1.0,0.8206685628126927,0.85031868960318,0.817927146871359,0.8587828113220478,0.83692430265232
EOS-0-01353,COc1cccc2c(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)cccc12,JCPUBBSNNKDPFI-UHFFFAOYSA-N,0,1,0.658,79,824,414.44,4.714,5,0.403,0.87,0.999,0.9695103145774793,0.957473785210061,0.8710420807346995,0.8411178123500788,0.9097859982180797
EOS-0-01354,Fc1ccc(-c2nnc3cncc(OCc4ccccn4)n23)cc1,WQBKWXZIHIPCEX-UHFFFAOYSA-N,0,1,0.815,4,708,321.315,2.904,4,0.578,0.88,1.0,0.7825114796792544,0.8713419231032828,0.6674062778425056,0.6814903022411075,0.7506874957165376
EOS-0-01355,C=C(c1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1)C(F)(F)F,BDRMEWFVHPNHLA-UHFFFAOYSA-N,0,1,0.75,48,135,410.399,4.988,4,0.45,0.84,1.0,0.972714344458913,0.9294256733602906,0.9692190391337125,0.9278750599684737,0.9498085292303475
EOS-0-01356,CCCc1ccc(-c2nnc3cncc(OCCc4cccc(OC)c4)n23)cc1,JHEBKZSHLSBRTR-UHFFFAOYSA-N,0,1,0.773,48,576,388.471,4.374,4,0.448,0.88,1.0,0.9484014118292098,0.8626978959632651,0.6001816188061133,0.4240028099513399,0.708820934137482
EOS-0-01357,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccc(F)cc5)c(F)c4)n23)cc1,RRRYGVDZOHYIFY-UHFFFAOYSA-N,0,1,0.73,79,397,462.431,5.622,5,0.314,0.82,1.0,0.9780344047700638,0.9892742101295319,0.9712665341648962,0.9686364882461792,0.9768029093276678
EOS-0-01358,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4-c4ccc(Cl)cc4)n23)cc1,JTPSVVAMCPYNAU-UHFFFAOYSA-N,0,1,0.768,79,497,444.897,5.872,5,0.328,0.78,1.0,0.9810585292303474,0.9857360701802481,0.9434325954355425,0.9610633267082448,0.9678226303885957
EOS-0-01360,FC(F)(F)Oc1cccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)c1,BQTDGQHKYBTBRI-UHFFFAOYSA-N,0,1,0.651,48,40,469.25,5.618,4,0.367,0.79,1.0,0.9813498046741141,0.9875265574669316,0.994714207388116,0.9957336714412994,0.9898310602426154
EOS-0-01361,COc1ccc(OCCCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,PUURSJJOUUVWEW-UHFFFAOYSA-N,0,1,0.696,48,40,460.412,4.546,4,0.339,0.83,1.0,0.9838941813446646,0.9584932492632444,0.9640617503940785,0.8843293811253512,0.9476946405318347
EOS-0-01362,Cc1ccccc1-c1nnc2cncc(OCCc3cccc(Cl)c3)n12,ZOITUMPTYOBWJT-UHFFFAOYSA-N,0,1,0.732,48,135,364.836,4.375,4,0.527,0.88,1.0,0.8697484750873826,0.8996727434720033,0.7738931533136865,0.8085120964978412,0.8379566170927284
EOS-0-01363,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4OC(F)(F)F)n23)cc1F,FWZDSAIVPDVMJI-UHFFFAOYSA-N,0,1,0.733,48,240,436.34,4.59,4,0.414,0.78,1.0,0.9475018847234596,0.9556918648481941,0.9950140497566994,0.9909361935439654,0.9722859982180796
EOS-0-01364,FC(F)Oc1ccccc1-c1nnc2cncc(OCCc3cccc(Cl)c3)n12,KFJAPPFOXHNLHJ-UHFFFAOYSA-N,0,1,0.724,48,40,416.815,4.668,4,0.438,0.86,1.0,0.9308049482557741,0.9383781097937085,0.9558460694948941,0.9536015351929271,0.944657665684326
EOS-0-01365,Fc1cc(F)cc(CCOc2cncc3nnc(-c4cc(Cl)ccc4Cl)n23)c1,BYKFNKYFPFABSW-UHFFFAOYSA-N,0,1,0.671,23,370,421.234,4.998,4,0.455,0.81,1.0,0.9584761154136111,0.9718233842779795,0.9769978068672469,0.9900023987389487,0.9743249263244466
EOS-0-01366,COc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,HONQIDHWDFBMAO-UHFFFAOYSA-N,0,1,0.831,48,135,346.39,3.421,4,0.535,0.88,1.0,0.9059437324378041,0.565579809471592,0.6122095812487149,0.5087468302378179,0.6481199883489822
EOS-0-01367,COc1cc(F)ccc1-c1nnc2cncc(OCCc3cc(F)cc(F)c3)n12,JTDKQOGOWYVSQM-UHFFFAOYSA-N,0,1,0.64,23,370,400.36,3.839,4,0.492,0.76,1.0,0.9630594201905284,0.9185285449934891,0.9406911794942088,0.9187341511890892,0.9352533239668288
EOS-0-01368,c1ccc(CCOc2cncc3nnc(-c4ccc5cnccc5c4)n23)cc1,LQHVFORJMURDRN-UHFFFAOYSA-N,0,1,0.792,91,824,367.412,3.961,5,0.47,0.86,1.0,0.9177232540607224,0.887327804811185,0.6701648276334727,0.6957285312864094,0.7927361044479474
EOS-0-01369,COc1cc(OC)cc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,UUILDNFTLAPQOV-UHFFFAOYSA-N,0,1,0.672,48,444,432.358,4.499,4,0.444,0.82,1.0,0.9789253649509972,0.9355338907545747,0.9873723528202316,0.930213830443424,0.9580113597423069
EOS-0-01370,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)n23)cc1F,WHPIITFHNUINTC-UHFFFAOYSA-N,0,1,0.716,48,240,488.338,5.729,4,0.337,0.76,1.0,0.990482146528682,0.9834230004797478,0.9999143307518333,0.9998543622781166,0.993418460009595
EOS-0-01371,FC(F)(F)Oc1ccc(-c2nnc3cncc(OC4CCc5ccccc54)n23)cc1,YLUKBFVXNXNKEI-UHFFFAOYSA-N,0,1,0.584,48,40,412.371,4.756,5,0.484,0.69,1.0,0.9786597902816805,0.9494551435816599,0.9891542731820986,0.9788311287780138,0.9740250839558631
EOS-0-01372,Fc1ccc(-c2ccccc2-c2nnc3cncc(OCCc4ccccc4)n23)cc1,GKFSXVZUOQLGOK-UHFFFAOYSA-N,0,1,0.786,79,650,410.452,5.219,5,0.385,0.79,1.0,0.967428551847029,0.9620056884380783,0.8751370707970667,0.892587896648619,0.9242898019326984
EOS-0-01373,COc1cc(-c2nnc3cncc(Oc4ccccc4F)n23)ccc1OC(F)F,GMXJCXBDPRPHCE-UHFFFAOYSA-N,0,1,0.61,48,254,402.332,4.333,4,0.478,0.85,1.0,0.9383695428688917,0.9557004317730108,0.9705726132547461,0.9345486944006579,0.9497978205743266
EOS-0-01374,Fc1cccc(Oc2cncc3nnc(-c4ccccc4)n23)c1F,BXIOSFPGBNXZAN-UHFFFAOYSA-N,0,1,0.562,48,254,324.29,3.862,4,0.574,0.89,1.0,0.923120416695223,0.8952350764169693,0.9282434377355905,0.9345572613254746,0.9202890480433144
EOS-0-01375,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,LLLAEPABDLXIMT-UHFFFAOYSA-N,0,1,0.688,79,660,427.895,5.128,5,0.376,0.83,1.0,0.9689620313892126,0.9683366458775958,0.8196233979850592,0.845058597765746,0.9004951682544035
EOS-0-01376,Fc1cc(OC(F)(F)F)cc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)c1,WRGYGXAPXYDMEG-UHFFFAOYSA-N,0,1,0.573,23,240,440.303,4.686,4,0.422,0.71,1.0,0.979884860530464,0.9781457747926804,0.9990233705708998,0.9988434651497499,0.9889743677609485
EOS-0-01377,O=[N+]([O-])c1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(F)cc3)n12,XEDBFRLCHIZLEI-UHFFFAOYSA-N,0,1,0.736,48,231,413.796,4.114,4,0.348,0.84,1.0,0.9708638886985128,0.8627064628880817,0.7151240490713453,0.6436501953258859,0.7980861489959564
EOS-0-01378,CS(=O)(=O)c1ccc(Oc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1,TXIQGPDZUVQCKX-UHFFFAOYSA-N,0,1,0.587,48,254,418.837,3.78,4,0.501,0.91,1.0,0.9330066479336577,0.9277893907203071,0.8469690219998629,0.8732609142622164,0.8952564937290111
EOS-0-01379,CS(=O)(=O)c1ccc(CCOc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1,PHSSULGZFUQSOL-UHFFFAOYSA-N,0,1,0.775,48,576,444.463,3.754,4,0.432,0.82,1.0,0.9028596395038038,0.9149647042697553,0.8696970735384826,0.8212168460009595,0.8771845658282502
EOS-0-01380,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1,SOBCUNVJIPJGRB-UHFFFAOYSA-N,0,1,0.786,79,590,442.906,5.859,5,0.316,0.86,1.0,0.9773918854088136,0.9840912206154478,0.8898122130080186,0.8938986361455692,0.9362984887944623
EOS-0-01381,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2F)nc1,CGGHFJDLDVNCED-UHFFFAOYSA-N,0,1,0.709,79,824,441.466,4.623,5,0.367,0.81,1.0,0.9740165170310465,0.9307792474813241,0.8061219244739908,0.7281629086423137,0.8597701494071688
EOS-0-01382,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4c[nH]c5ccccc45)n23)cc1,IVKWKZGRNMVLIY-UHFFFAOYSA-N,0,1,0.565,48,40,439.397,4.793,5,0.412,0.84,1.0,0.969955794667946,0.9683452128024125,0.9790538688232472,0.9600095949557946,0.9693411178123501
EOS-0-01383,Fc1cc(OC(F)(F)F)ccc1-c1nnc2cncc(OCCc3ccc(OC(F)(F)F)cc3)n12,KFAUKBUPJGTZAH-UHFFFAOYSA-N,0,1,0.689,48,40,502.346,5.349,4,0.318,0.75,1.0,0.9816924816667809,0.9880234391062984,0.9995887876088,0.9987149612774998,0.9920049174148449
EOS-0-01384,Oc1ccc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)cc1,XEMPXCVBZSLZPF-UHFFFAOYSA-N,0,1,0.583,13,254,340.289,3.567,4,0.617,0.87,1.0,0.9269241313138236,0.8738691659241998,0.927326776780207,0.9259732026591735,0.9135233191693509
EOS-0-01385,Fc1ccccc1Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,WSOYIRMGAVNHCH-UHFFFAOYSA-N,0,1,0.743,79,590,460.896,5.998,5,0.298,0.88,1.0,0.9774004523336303,0.9914673428825989,0.9453258858200261,0.9476560893701597,0.9654624426016037
EOS-0-01386,FC(F)(F)Oc1cccc(-c2nnc3cncc(OCCc4cccc(C(F)(F)F)c4)n23)c1,DTLIRVPZLXTYPH-UHFFFAOYSA-N,0,1,0.653,48,40,468.357,5.33,4,0.358,0.82,1.0,0.97547289424988,0.9771948461380303,0.99961448838325,0.9985864574052498,0.9877171715441025
EOS-0-01387,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccccc3)n12,BLACBSVNZPCMNK-UHFFFAOYSA-N,0,1,0.6,48,254,340.745,4.376,4,0.555,0.9,1.0,0.9122061544787883,0.9277979576451237,0.9257247618394902,0.9497721197998766,0.9288752484408197
EOS-0-01388,COc1ccc(CCOc2cncc3nnc(-c4ccccc4Cl)n23)cc1,JNWCTUSBOIRVLM-UHFFFAOYSA-N,0,1,0.848,48,396,380.835,4.075,4,0.504,0.9,1.0,0.7908899321499554,0.89968131039682,0.7980947159207731,0.7674079912274689,0.8140184874237544
EOS-0-01389,Fc1cccc(Oc2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)c1,QNWJPKQWAVTRCH-UHFFFAOYSA-N,0,1,0.704,48,254,374.297,4.742,4,0.486,0.87,1.0,0.887456308683435,0.9505774107326435,0.997472757179083,0.9967445685696662,0.9580627612912069
EOS-0-01390,COc1cc(F)ccc1-c1nnc2cncc(OCCc3cccc(F)c3)n12,RWVQRQGLQCFZPC-UHFFFAOYSA-N,0,1,0.684,48,396,382.37,3.7,4,0.509,0.84,1.0,0.9383781097937085,0.8564526077719142,0.882864436981701,0.8467462819546295,0.8811103591254883
EOS-0-01391,Fc1ccc(CCOc2cncc3nnc(-c4c(Cl)cc(C(F)(F)F)cc4Cl)n23)cc1,WKDNQYXGSISRDF-UHFFFAOYSA-N,0,1,0.773,23,240,471.241,5.878,4,0.342,0.79,1.0,0.9867126996093483,0.9866184634363648,0.9986892605030498,0.9992118429168666,0.9928080666164074
EOS-0-01392,COC(=O)CCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,OILMDWAEJWPCJJ-UHFFFAOYSA-N,0,1,0.795,48,378,454.889,4.311,4,0.369,0.82,1.0,0.9269326982386402,0.9204218353779727,0.6891576999520252,0.6380045918717018,0.793629206360085
EOS-0-01393,CC(Oc1cncc2nnc(-c3ccc(OC(F)(F)F)c(Cl)c3)n12)c1ccc(F)cc1,AOPLNZQMFJNIJF-UHFFFAOYSA-N,0,1,0.65,48,240,452.795,5.622,4,0.368,0.78,1.0,0.9735881707902131,0.982514906449181,0.9990747721197999,0.9986806935782332,0.9884646357343568
EOS-0-01394,Clc1ccc(CCOc2cncc3nnc(-c4ccc5ncccc5c4)n23)cc1,JUEXSVRUIOHLDN-UHFFFAOYSA-N,0,1,0.701,91,660,401.857,4.614,5,0.43,0.85,1.0,0.9231289836200397,0.9644558289356453,0.8061304913988074,0.8536940579809471,0.8868523404838599
EOS-0-01395,Oc1ccc(-c2nnc3cncc(OCc4ccccc4)n23)cc1,WSIRPZACNZFWFN-UHFFFAOYSA-N,0,1,0.712,48,135,318.336,3.076,4,0.626,0.82,1.0,0.9177318209855391,0.6813018298951409,0.6674148447673223,0.6350490028099514,0.7253743746144884
EOS-0-01396,Fc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)c(F)cc1OC(F)(F)F,CIJWONQCHNXZNC-UHFFFAOYSA-N,0,1,0.622,23,254,442.731,5.414,4,0.395,0.75,1.0,0.9786683572064971,0.9794136796655473,0.9990319374957165,0.9993660475635666,0.9891200054828319
EOS-0-01397,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)c(F)c4)n23)nc1,WGKWCUIUQCBZQQ-UHFFFAOYSA-N,0,1,0.667,90,255,405.311,3.645,4,0.456,0.77,1.0,0.9177403879103557,0.9594698786923446,0.9712751010897128,0.955589061750394,0.9510186073607018
EOS-0-01398,Fc1ccccc1-c1nnc2cncc(Oc3ccc(Cl)cc3)n12,DYJIOTNODOVIJG-UHFFFAOYSA-N,0,1,0.667,34,254,340.745,4.376,4,0.555,0.93,1.0,0.8675896100335824,0.9204304023027894,0.9273353437050237,0.9586303200603111,0.9184964190254267
EOS-0-01399,c1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,QQLHHMYSSNEICD-UHFFFAOYSA-N,0,1,0.761,79,824,393.45,4.475,5,0.426,0.84,1.0,0.9584846823384278,0.8503272565279967,0.6623003906517716,0.6495956411486533,0.7801769926667124
EOS-0-01400,Clc1cccc(CCOc2cncc3nnc(-c4cccc5ccccc45)n23)c1,FOFYUEIUFVTKEY-UHFFFAOYSA-N,0,1,0.662,79,824,400.869,5.219,5,0.406,0.84,1.0,0.9383866767185252,0.969750188472346,0.862569392091015,0.9153844835857721,0.9215226852169145
EOS-0-01401,Oc1ccc(Cl)cc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,PSWSYHBNORWUOZ-UHFFFAOYSA-N,0,1,0.718,48,231,401.253,4.425,4,0.536,0.82,1.0,0.9177489548351724,0.8684634363648824,0.8922109519566856,0.9259817695839901,0.9011012781851827
EOS-0-01402,O=[N+]([O-])c1cccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1,MSZFJOFFDJEGII-UHFFFAOYSA-N,0,1,0.84,48,948,397.341,3.599,4,0.364,0.78,1.0,0.9708724556233295,0.6374991433075183,0.7957902131450895,0.6205794667945994,0.7561853197176343
EOS-0-01403,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nc1,AIXBPUUQNQXBDH-UHFFFAOYSA-N,0,1,0.605,48,255,389.312,3.923,4,0.495,0.81,1.0,0.9282948392844904,0.9462168460009595,0.9924782400109656,0.9817181824412309,0.9621770269344115
EOS-0-01404,Clc1ccccc1-c1nnc2cncc(OCc3ccccc3)n12,DTSPIGWIMXIAMI-UHFFFAOYSA-N,0,1,0.701,48,135,336.782,4.024,4,0.564,0.95,1.0,0.7416558152285656,0.9107669111095881,0.8144232746213419,0.8745716537591666,0.8353544136796656
EOS-0-01405,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5F)cc4)n23)cc1F,LQTLLAZFFFAIAH-UHFFFAOYSA-N,0,1,0.75,79,590,462.431,5.622,5,0.314,0.72,1.0,0.9783085463641971,0.9902337057089987,0.9728085806318963,0.9665975601398122,0.9769870982112261
EOS-0-01406,Fc1cc(F)c(-c2nnc3cncc(OCCc4ccccn4)n23)c(F)c1,YSTJOIQGELEURX-UHFFFAOYSA-N,0,1,0.645,90,400,371.322,3.225,4,0.539,0.76,1.0,0.9363391816873415,0.9370159687478583,0.8308375025700775,0.8429682681104791,0.8867902302789391
EOS-0-01407,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccccc5)n34)cc2)cc1,WCJFCPIMYXTBQC-UHFFFAOYSA-N,0,1,0.879,79,650,392.462,5.08,5,0.404,0.85,1.0,0.95014906449181,0.9107754780344047,0.7893907203070386,0.7999965732300733,0.8625779590158317
EOS-0-01408,Fc1ccc(Nc2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cc1,ISGUWNVTXZUPEV-UHFFFAOYSA-N,0,1,0.826,79,824,425.467,5.296,5,0.384,0.84,1.0,0.9780429716948804,0.8899664176547186,0.8439191967651292,0.8152885340278254,0.8818042800356384
EOS-0-01409,O=[N+]([O-])c1cc(-c2nnc3cncc(OCc4ccccc4)n23)ccc1Cl,CUDBLMNJHXNUGC-UHFFFAOYSA-N,0,1,0.618,48,135,381.779,3.932,4,0.384,0.87,1.0,0.9748046741141799,0.8768161880611336,0.6267733534370502,0.5056456034541841,0.746009954766637
EOS-0-01410,COc1ccccc1-c1nnc2cncc(OCCc3ccc(F)cc3)n12,JUGKWLBMWMLTAX-UHFFFAOYSA-N,0,1,0.841,48,396,364.38,3.561,4,0.523,0.88,1.0,0.8585943389760812,0.6912994311561922,0.7647608114591187,0.6899458570351586,0.7511501096566376
EOS-0-01411,O=[N+]([O-])c1cccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c1,GEXSVUIXOFDGNC-UHFFFAOYSA-N,0,1,0.74,48,231,379.351,3.46,4,0.376,0.85,1.0,0.9748132410389967,0.6960455075046261,0.6241347405935166,0.4273953121787403,0.68059720032897
EOS-0-01412,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc(F)c1OC,PDBWZFCXQJRDNP-UHFFFAOYSA-N,0,1,0.688,48,396,428.851,4.223,4,0.439,0.78,1.0,0.9636334041532452,0.8974710437941197,0.8654393119045988,0.772256870673703,0.8747001576314166
EOS-0-01413,O=[N+]([O-])c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,SDYPMKHVFWICTD-UHFFFAOYSA-N,0,1,0.74,48,231,395.806,3.974,4,0.362,0.85,1.0,0.9727229113837297,0.7820060311150709,0.6267819203618669,0.48018470289904736,0.7154238914399287
EOS-0-01414,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc5c(c4)OCCO5)n23)c1,KGRJFOUZAKZBTM-UHFFFAOYSA-N,0,1,0.642,48,396,410.38,3.462,5,0.502,0.81,1.0,0.9591786032485778,0.8795062024535673,0.8325337536837777,0.7933657734219725,0.8661460832019738
EOS-0-01415,Clc1cccc(CCOc2cncc3nnc(-c4cc(Cl)ccc4Cl)n23)c1,GYZAVTNVMHUDIB-UHFFFAOYSA-N,0,1,0.732,23,370,419.699,5.373,4,0.436,0.85,1.0,0.9330152148584744,0.962014255362895,0.9532245905009937,0.9821979302309642,0.9576129977383319
EOS-0-01416,OCc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,LQASTNVJGVNKHV-UHFFFAOYSA-N,0,1,0.797,48,135,346.39,2.905,4,0.581,0.87,1.0,0.8760965663765334,0.6667209238571722,0.667423411692139,0.6205880337194161,0.7077072339113151
EOS-0-01417,Fc1cc(F)c(-c2nnc3cncc(Oc4ccccc4)n23)c(F)c1,OGRNDRMCVWMGPY-UHFFFAOYSA-N,0,1,0.606,23,254,342.28,4.001,4,0.565,0.86,1.0,0.9205246384757727,0.9185371119183058,0.9519395517784935,0.9623140977314784,0.9383288499760125
EOS-0-01418,Fc1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(F)c1,KPPHHKBSTKIXTA-UHFFFAOYSA-N,0,1,0.542,23,254,376.725,4.654,4,0.522,0.87,1.0,0.937332944966075,0.978154341717497,0.9873809197450483,0.9943029949969159,0.9742928003563841
EOS-0-01419,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCC4Oc5ccccc5O4)n23)cc1,VHHUDJACQYMIFV-UHFFFAOYSA-N,0,1,0.676,48,40,444.369,4.256,5,0.44,0.75,1.0,0.9786769241313138,0.937024535672675,0.984502433006648,0.9548780069906107,0.9637704749503119
EOS-0-01420,c1ccc(COc2cncc3nnc(-c4ccccc4)n23)cc1,DELGJYNWSKZOIU-UHFFFAOYSA-N,0,1,0.783,48,135,302.337,3.37,4,0.58,0.91,1.0,0.8521177438146803,0.7061116441642108,0.6241433075183332,0.6467428551847029,0.7072788876704817
EOS-0-01421,Fc1ccc(-c2nnc3cncc(OCc4ncccc4C(F)(F)F)n23)cc1,BAJDRQPUUDFXOT-UHFFFAOYSA-N,0,1,0.627,48,255,389.312,3.923,4,0.495,0.86,1.0,0.9393547392228085,0.9412394626824755,0.9884774861215818,0.9751816188061133,0.9610633267082447
EOS-0-01422,Fc1cccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)c(C(F)(F)F)c4)n23)c1,YXWNNKUTBCFPJG-UHFFFAOYSA-N,0,1,0.654,48,240,486.347,5.469,4,0.339,0.76,1.0,0.9848022753752314,0.9807758207113975,0.9997429922555,0.9992803783154,0.9911503666643822
EOS-0-01423,Fc1cccc(-c2nnc3cncc(OCCc4ccccn4)n23)c1,ROCZKLDTAQALHU-UHFFFAOYSA-N,0,1,0.693,48,400,335.342,2.947,4,0.561,0.91,1.0,0.833193406894661,0.8627150298128984,0.5411983414433555,0.5778390788842437,0.7037364642587897
EOS-0-01424,Fc1ccc(Oc2cncc3nnc(-c4ccccc4OC(F)(F)F)n23)cc1,ZSBNNUMIHXKKGI-UHFFFAOYSA-N,0,1,0.653,48,254,390.296,4.621,4,0.476,0.88,1.0,0.8980792954561031,0.9240542115002399,0.9937204441093825,0.9891285724076485,0.9512456308683435
EOS-0-01425,FC(F)(F)Oc1ccccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,YPYUHSTXHAHSMQ-UHFFFAOYSA-N,0,1,0.733,48,40,434.805,4.965,4,0.429,0.86,1.0,0.9244654238914399,0.9494637105064766,0.9895483517236653,0.9830888904118977,0.9616415941333698
EOS-0-01426,Fc1cccc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)n1,OKLRKPPWZWNQMV-UHFFFAOYSA-N,0,1,0.605,23,708,357.295,3.183,4,0.525,0.79,1.0,0.9011976560893702,0.9355424576793914,0.9211757247618395,0.9196593790692893,0.9193938043999725
EOS-0-01427,Fc1ccc(Oc2cncc3nnc(-c4cccc(F)c4)n23)cc1,RXQQGLLFOXTQIH-UHFFFAOYSA-N,0,1,0.708,48,254,324.29,3.862,4,0.574,0.91,1.0,0.8232986087314098,0.8713504900280995,0.9339061750394079,0.9509886231238435,0.8948859742306902
EOS-0-01428,Fc1ccc(-c2nnc3cncc(OCC4=C(Cl)c5ccccc5CC4)n23)cc1,MLOMRIILHUNWOA-UHFFFAOYSA-N,0,1,0.625,48,231,406.848,4.906,5,0.483,0.76,1.0,0.9653467891165787,0.9683537797272291,0.7981032828455897,0.8801487218148174,0.9029881433760537
EOS-0-01429,Fc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)c(F)c1F,BYTLNSFGDGPDHW-UHFFFAOYSA-N,0,1,0.641,90,281,371.322,3.225,4,0.504,0.75,1.0,0.9205332054005894,0.952676307312727,0.8751456377218834,0.8684805702145157,0.9042089301624288
EOS-0-01430,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5cccc(F)c5)c(F)c4)n23)cc1,YPTRNQQNRFMOSY-UHFFFAOYSA-N,0,1,0.701,79,590,462.431,5.622,5,0.314,0.84,1.0,0.9757898704680967,0.9877749982866151,0.9695531492015627,0.967145843328079,0.9750659653210884
EOS-0-01431,FC(F)Oc1ccccc1-c1nnc2cncc(OCCc3ccccc3)n12,DUQPBJYEXBDMIF-UHFFFAOYSA-N,0,1,0.853,48,135,382.37,4.014,4,0.483,0.88,1.0,0.8428483311630457,0.7519703927078336,0.8970940991021863,0.8668614214241656,0.8396935610993078
EOS-0-01432,Fc1c(Cl)cccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3Cl)n12,HHWDOXIIMNVWRX-UHFFFAOYSA-N,0,1,0.671,23,370,437.689,5.512,4,0.413,0.78,1.0,0.9669916386813789,0.977666027002947,0.9794479473648139,0.9930607908984991,0.9792916009869097
EOS-0-01433,Fc1ccc(Oc2cncc3nnc(-c4ccccc4)n23)c(F)c1,IMGMAXOKVACGOB-UHFFFAOYSA-N,0,1,0.6,48,254,324.29,3.862,4,0.574,0.87,1.0,0.9090535261462546,0.8795147693783839,0.9248680693578233,0.9345658282502913,0.9120005482831883
EOS-0-01434,CC(Oc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12)c1cccnc1,RFGMIIQIPFXHGN-UHFFFAOYSA-N,0,1,0.639,48,305,401.348,4.225,4,0.498,0.71,1.0,0.9653553560413953,0.9067918579946542,0.9907819888972654,0.9671544102528956,0.9575209032965526
EOS-0-01435,FC(F)(F)c1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c1,FZPDSBMQBCSVPO-UHFFFAOYSA-N,0,1,0.761,79,650,460.459,6.099,5,0.307,0.83,1.0,0.9881862106778151,0.9857446371050648,0.9919470906723322,0.9845452676307312,0.9876058015214858
EOS-0-01436,Fc1cc(Cl)cc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)c4)n23)c1,XUPSOCPEWZUMEC-UHFFFAOYSA-N,0,1,0.841,23,370,437.689,5.512,4,0.413,0.73,1.0,0.9420790213145089,0.9781629086423137,0.9773147830854636,0.9923840038379823,0.9724851792200672
EOS-0-01437,Fc1cccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)c1,KPWBUGIUXYAQNV-UHFFFAOYSA-N,0,1,0.881,79,650,410.452,5.219,5,0.385,0.85,1.0,0.907622849701871,0.9683623466520458,0.8945497224316359,0.9053954492495374,0.9189825920087725
EOS-0-01438,Clc1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1,HNQIBKLYRPNOBH-UHFFFAOYSA-N,0,1,0.609,48,254,357.2,4.89,4,0.524,0.9,1.0,0.8653193749571654,0.9704783770817628,0.9379154958536083,0.9726543759851963,0.9365919059694332
EOS-0-01439,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccc(Br)cc5)cc4)n23)cc1,XQWYZRZEEKYWDN-UHFFFAOYSA-N,0,1,0.809,79,590,505.347,6.107,5,0.267,0.86,1.0,0.9819666232609142,0.9880320060311151,0.935319717634158,0.9269926667123569,0.9580777534096361
EOS-0-01440,Fc1ccc(Oc2cncc3nnc(-c4cc(F)ccc4F)n23)cc1,YINZNZUSJAPAAY-UHFFFAOYSA-N,0,1,0.642,23,254,342.28,4.001,4,0.565,0.85,1.0,0.9044273867452539,0.9019344116236035,0.9705811801795627,0.9797649235830307,0.9391769755328627
EOS-0-01441,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,OZGLCSWUCAPVHH-UHFFFAOYSA-N,0,1,0.703,79,824,411.44,4.614,5,0.408,0.82,1.0,0.9420875882393256,0.9494722774312933,0.8004420533205401,0.8085206634226578,0.8751306456034542
EOS-0-01442,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(OC(F)(F)F)c4)n23)cn1,ZILUTYNDXAYAAN-UHFFFAOYSA-N,0,1,0.605,90,240,437.328,3.985,4,0.336,0.7,1.0,0.9789339318758139,0.9836971420738811,0.9910903981906655,0.9788396957028305,0.9831402919607977
EOS-0-01443,Fc1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1Cl,FUHRBBWJGUOYJX-UHFFFAOYSA-N,0,1,0.554,23,254,375.19,5.03,4,0.504,0.87,1.0,0.9283034062093071,0.9653639229662121,0.9755671304228634,0.9900109656637653,0.9648113563155369
EOS-0-01444,Fc1cccc(Oc2cncc3nnc(-c4cccc(F)c4F)n23)c1,VZBCJIGHUWOINR-UHFFFAOYSA-N,0,1,0.657,23,254,342.28,4.001,4,0.565,0.85,1.0,0.867598176958399,0.9258018641628402,0.969955794667946,0.9780601055445137,0.9353539853334247
EOS-0-01445,COc1cc(Cl)cc(Oc2cncc3nnc(-c4ccccc4)n23)c1,GPZCFULSDQQYMD-UHFFFAOYSA-N,0,1,0.648,48,254,352.781,4.246,4,0.549,0.85,1.0,0.8980878623809198,0.8768247549859502,0.8308460694948941,0.8192121855938592,0.8562427181139058
EOS-0-01446,c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1,PTISWSQAJGKWEM-UHFFFAOYSA-N,0,1,0.765,48,135,317.352,2.808,4,0.566,0.87,1.0,0.8761051333013501,0.7107377835652114,0.2930573641285724,0.3128383935302584,0.5481846686313481
EOS-0-01447,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c(Cl)c1Cl,IECCEFPFVGEIKB-UHFFFAOYSA-N,0,1,0.75,23,627,472.134,6.166,4,0.327,0.77,1.0,0.9813583715989308,0.9920498937701323,0.990019532588582,0.9983037488862998,0.9904328867109862
EOS-0-01448,COc1cc(F)c(F)c(-c2nnc3cncc(Oc4cccc(C(F)(F)F)c4)n23)c1,FIHKGTLXDNBOGI-UHFFFAOYSA-N,0,1,0.53,48,444,422.313,4.889,4,0.439,0.84,1.0,0.9674371187718457,0.9574823521348776,0.9986207251045165,0.9955623329449661,0.9797756322390516
EOS-0-01449,Oc1ccc(Cl)cc1-c1nnc2cncc(OCCc3ccccc3)n12,AQRATVXFOCJMNO-UHFFFAOYSA-N,0,1,0.74,48,135,366.808,3.772,4,0.582,0.84,1.0,0.8258772531012268,0.8333304776917277,0.7411760674388321,0.7770115139469536,0.7943488280446851
EOS-0-01450,CC(Oc1cccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c1)C(F)(F)F,BENCFBXGSFXELJ-UHFFFAOYSA-N,0,1,0.667,48,40,446.404,4.882,4,0.379,0.72,1.0,0.9766379960249468,0.9574909190596943,0.9919556575971489,0.9784113494619971,0.9761239805359468
EOS-0-01451,Fc1ccccc1CCOc1cncc2nnc(-c3cccc4ccccc34)n12,DHODJJKWPDQEHU-UHFFFAOYSA-N,0,1,0.707,79,824,384.414,4.705,5,0.441,0.82,1.0,0.9191539305051059,0.9515540401617435,0.8611130148721815,0.8939072030703858,0.9064320471523541
EOS-0-01452,CS(=O)(=O)c1ccc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1,QBJNFAZDZZDCOV-UHFFFAOYSA-N,0,1,0.758,48,17,459.325,3.536,4,0.454,0.91,1.0,0.8632975807004317,0.8795233363032006,0.6593876362141046,0.6436587622507025,0.7614668288671098
EOS-0-01453,Fc1ccc(F)c(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)c1F,NSIMRFBAOPXZAP-UHFFFAOYSA-N,0,1,0.632,23,254,376.725,4.654,4,0.488,0.87,1.0,0.9383952436433418,0.9440237132478926,0.9852049208416147,0.9926924131313823,0.9650790727160579
EOS-0-01454,Fc1cc(CCOc2cncc3nnc(-c4cc(Cl)c(Cl)cc4Cl)n23)ccc1Cl,JHPPFMDONCYYPJ-UHFFFAOYSA-N,0,1,0.743,23,627,472.134,6.166,4,0.327,0.79,1.0,0.981975190185731,0.9877835652114317,0.9913302720855321,0.9984579535329998,0.9898867452539236
EOS-0-01455,Fc1cc(F)c(-c2nnc3cncc(Oc4ccccc4)n23)cc1F,KBFJXSJDLQVTOV-UHFFFAOYSA-N,0,1,0.58,23,254,342.28,4.001,4,0.528,0.87,1.0,0.9163696799396889,0.9258104310876568,0.9671030087039956,0.9719004866013295,0.9452959015831677
EOS-0-01456,COc1cccc(-c2nnc3cncc(Oc4cccc(F)c4)n23)c1,UZLWVJMGJGBLKO-UHFFFAOYSA-N,0,1,0.739,48,254,336.326,3.731,4,0.568,0.9,1.0,0.7795815913919539,0.8333390446165444,0.8454355424576794,0.80000514015489,0.8145903296552669
EOS-0-01457,CSc1cccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,HSOJNPRHGUKPOW-UHFFFAOYSA-N,0,1,0.676,48,254,368.849,4.959,4,0.476,0.91,1.0,0.865327941881982,0.9536529367418272,0.8839610033582346,0.8993472003289699,0.9005722705777535
EOS-0-01458,N#Cc1cccc(-c2nnc3cncc(Oc4cccc(F)c4)n23)c1,JEQJTYCHJBQOKN-UHFFFAOYSA-N,0,1,0.681,48,254,331.31,3.594,4,0.573,0.91,1.0,0.8178414776231924,0.8596994722774313,0.9164639161126722,0.9270012336371736,0.8802515249126173
EOS-0-01459,Fc1cccc(F)c1-c1nnc2cncc(OCc3ccccc3Br)n12,CDOHJWFCIZHPJD-UHFFFAOYSA-N,0,1,0.577,23,906,417.213,4.411,4,0.494,0.82,1.0,0.9441350832705092,0.920438969227606,0.9446490987595093,0.9548865739154273,0.9410274312932629
EOS-0-01460,FC(F)Oc1ccc(-c2nnc3cncc(Oc4cccc(SC(F)(F)F)c4)n23)cc1,XJXDSIRVRCUMFA-UHFFFAOYSA-N,0,1,0.8,48,444,454.38,5.797,4,0.271,0.81,1.0,0.9808272222602974,0.9807843876362141,0.9985778904804331,0.9967531354944829,0.9892356589678568
EOS-0-01461,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ncco5)nc4)n23)cc1,XPWGFUQCGQYVFB-UHFFFAOYSA-N,0,1,0.746,11,56,402.389,3.602,5,0.428,0.71,1.0,0.9670002056061956,0.9107840449592214,0.5412069083681722,0.5189157699952025,0.7344767322321979
EOS-0-01462,Oc1ccc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)cc1,KYPDOEZEFRHIOO-UHFFFAOYSA-N,0,1,0.721,48,254,338.754,3.943,4,0.612,0.83,1.0,0.7881656500582551,0.8952436433417861,0.8423086148995956,0.8773302035501337,0.8507620279624427
EOS-0-01463,Fc1c(Cl)cccc1-c1nnc2cncc(OCCc3ccccn3)n12,XZMYDWFROKFACY-UHFFFAOYSA-N,0,1,0.641,90,400,369.787,3.6,4,0.537,0.82,1.0,0.8818621067781509,0.9204475361524227,0.7384346514974984,0.7933743403467891,0.8335296586937153
EOS-0-01464,COc1ccc(CCOc2cncc3nnc(-c4ccc(O)c(Br)c4)n23)cc1,BFMNUGIQKBQLFK-UHFFFAOYSA-N,0,1,0.711,48,396,441.285,3.89,4,0.489,0.79,1.0,0.9363477486121582,0.8260914262216434,0.7694126516345693,0.6321362483722843,0.7909970187101638
EOS-0-01465,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cccc(F)c5)c4)n23)cc1,HRLWKMXYHWMUQV-UHFFFAOYSA-N,0,1,0.767,79,497,428.442,5.358,5,0.365,0.85,1.0,0.9450260434514427,0.9735881707902131,0.9500890960180933,0.957525186758961,0.9565571242546775
EOS-0-01466,Fc1ccc(-c2nnc3cncc(OCCc4cccc(C(F)(F)F)c4)n23)c(C(F)F)c1,VZMZXGQPTKLLPY-UHFFFAOYSA-N,0,1,0.658,48,240,452.358,5.508,4,0.362,0.76,0.998,0.9813669385237476,0.9790110341991639,0.9994345829621,0.9987834966760332,0.9896490130902611
EOS-0-01467,Fc1cccc(Oc2cncc3nnc(-c4ccc(F)cc4OC(F)F)n23)c1,FWINAYAOZROYLG-UHFFFAOYSA-N,0,1,0.754,48,254,390.296,4.463,4,0.471,0.86,1.0,0.852126310739497,0.9473562470015763,0.987389486669865,0.9867298334589816,0.94340046946748
EOS-0-01468,CCOc1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1F,OVPTVSHMXDIOMP-UHFFFAOYSA-N,0,1,0.571,23,254,386.333,4.4,4,0.509,0.88,1.0,0.9191624974299225,0.9451374134740593,0.9627081762730451,0.9430213830443424,0.9425073675553424
EOS-0-01469,c1ccc(CCOc2cncc3nnc(-c4cccc5ccccc45)n23)cc1,XQRHIUWBCGXDKV-UHFFFAOYSA-N,0,1,0.794,79,824,366.424,4.566,5,0.457,0.83,1.0,0.8874648756082517,0.822339113151943,0.7151326159961621,0.77460420807347,0.7998852032074567
EOS-0-01470,CC(Oc1cncc2nnc(-c3cccc(OC(F)(F)F)c3)n12)c1ccccc1,OZXABNRYGNWHPX-UHFFFAOYSA-N,0,1,0.623,48,40,400.36,4.83,4,0.48,0.71,1.0,0.9636419710780618,0.935551024604208,0.9938660818312659,0.982206497155781,0.9688163936673292
EOS-0-01471,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccc5)cc4F)n23)cc1F,QAPNSUWZTWRLJH-UHFFFAOYSA-N,0,1,0.714,79,397,476.458,5.409,5,0.3,0.71,1.0,0.984810842300048,0.983106024261531,0.9699643615927627,0.9605835789185114,0.9746162017682133
EOS-0-01472,Fc1ccc(-c2nnc3cncc(OCC(F)(F)c4ccccn4)n23)c(F)c1,DZWFIQSGOIJCLN-UHFFFAOYSA-N,0,1,0.615,23,255,389.312,3.635,4,0.488,0.74,1.0,0.9191710643547393,0.9604036734973613,0.9847166061270646,0.9706497155780961,0.9587352648893154
EOS-0-01473,CC(Oc1cncc2nnc(-c3cc(F)ccc3F)n12)c1ccc(F)cc1,DSFQSZBLJHAVAG-UHFFFAOYSA-N,0,1,0.577,23,370,370.334,4.349,4,0.536,0.8,0.996,0.9353111507093413,0.9307878144061408,0.9873980535946817,0.9861986841203482,0.9599239257076281
EOS-0-01474,FC(F)(F)c1cccc(-c2nnc3cncc(OCCc4ccccn4)n23)c1,FZXLLHUPOUWHPC-UHFFFAOYSA-N,0,1,0.697,48,305,385.349,3.827,4,0.523,0.85,1.0,0.8562298677266809,0.9019429785484202,0.968250976629429,0.9278836268932904,0.9135768624494551
EOS-0-01475,Fc1ccc(-c2nnc3cncc(OCc4ccccc4C(F)(F)F)n23)c(OC(F)F)c1,ZXNLCHDJMBFSGX-UHFFFAOYSA-N,0,1,0.578,48,240,454.33,5.13,4,0.378,0.8,1.0,0.9819837571105476,0.9741621547529299,0.9993317798642999,0.9985007881570831,0.9884946199712151
EOS-0-01476,Fc1cc(-c2ccccc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,PHBGDNCMUXNGFN-UHFFFAOYSA-N,0,1,0.761,79,650,444.897,5.872,5,0.328,0.8,1.0,0.9670087725310123,0.9859759440751148,0.9453344527448427,0.9616373106709616,0.9649891200054829
EOS-0-01477,Fc1ccccc1-c1nnc2cncc(OCCc3ccccn3)n12,DRHCQJHSRTYBBP-UHFFFAOYSA-N,0,1,0.681,48,400,335.342,2.947,4,0.561,0.88,1.0,0.817850044548009,0.862723596737715,0.5141097251730519,0.5587862380919745,0.6883674011376876
EOS-0-01478,Oc1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1,AIVKMJKMLLEKEM-UHFFFAOYSA-N,0,1,0.568,13,254,340.289,3.567,4,0.617,0.8,1.0,0.9231375505448565,0.8768333219107669,0.9315588376396409,0.9248680693578233,0.914099444863272
EOS-0-01479,Fc1ccc(CCOc2cncc3nnc(-c4ccc5nccnc5c4)n23)cc1F,HBKRUBAVYXAHDV-UHFFFAOYSA-N,0,1,0.743,84,360,404.38,3.634,5,0.445,0.77,1.0,0.9308135151805907,0.8996898773216366,0.8290470152833939,0.8291326845315605,0.8721707730792954
EOS-0-01480,Clc1cccc(-c2nnc3cncc(OCCc4ccccn4)n23)c1,PQZSSCZILXGFNN-UHFFFAOYSA-N,0,1,0.693,48,400,351.797,3.461,4,0.551,0.84,1.0,0.804905421150024,0.8996984442464533,0.5446765129189226,0.635057569734768,0.721084487012542
EOS-0-01481,COc1ccccc1-c1nnc2cncc(Oc3ccc(Cl)c(C(F)(F)F)c3)n12,HSXYJNYJMFIDCM-UHFFFAOYSA-N,0,1,0.701,48,444,420.778,5.264,4,0.45,0.79,1.0,0.940271400178192,0.9185456788431224,0.995022616681516,0.9859159756013981,0.9599389178260572
EOS-0-01482,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cn4)n23)cc1F,QLVCFLVFBVZZMY-UHFFFAOYSA-N,0,1,0.662,57,80,429.43,4.753,5,0.39,0.76,1.0,0.9584932492632444,0.9594784456171612,0.8852631759303681,0.8898207799328353,0.9232639126859024
EOS-0-01483,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4Cl)n23)nc1,NALGAODGQQXQOO-UHFFFAOYSA-N,0,1,0.681,90,400,369.787,3.6,4,0.537,0.83,1.0,0.8653365088067987,0.914973271194572,0.7177455280652457,0.8021383044342403,0.8250484031252141
EOS-0-01484,Clc1cccc(Oc2cncc3nnc(-c4ccccc4)n23)c1,NBOPVWDBLNSJAX-UHFFFAOYSA-N,0,1,0.778,48,254,322.755,4.237,4,0.566,0.94,1.0,0.7327376464944144,0.8795319032280172,0.819631964909876,0.889829346857652,0.8304327153724899
EOS-0-01485,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)o1,NUKLMLNYLPDTCE-UHFFFAOYSA-N,0,1,0.775,91,660,432.871,4.425,5,0.392,0.82,1.0,0.9340346789116579,0.9440322801727092,0.5549139880748406,0.5587948050167911,0.7479439380439997
EOS-0-01486,Fc1ccc(Oc2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)c(F)c1,GMSNKCLLYNSIMY-UHFFFAOYSA-N,0,1,0.551,48,254,392.287,4.881,4,0.467,0.86,1.0,0.9459170036323761,0.962990884791995,0.9991347405935166,0.9990148036460832,0.9767643581659927
EOS-0-01487,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4F)n23)nc1,WJIJZQZMFAAUGA-UHFFFAOYSA-N,0,1,0.681,90,400,353.332,3.086,4,0.552,0.83,1.0,0.8697570420121993,0.8873363717360017,0.7177540949900624,0.7571362483722843,0.8079959392776368
EOS-0-01488,FC(F)(F)C(F)(c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1)C(F)(F)F,WDUOTZWASIVKFI-UHFFFAOYSA-N,0,1,0.821,48,240,518.82,6.356,4,0.279,0.79,1.0,0.9887944623397985,0.9906791857994655,0.9999314646014666,0.9998971969022,0.9948255774107327
EOS-0-01489,Fc1ccc(-c2nnc3cncc(Oc4c(F)cccc4F)n23)c(F)c1,AGQPFNRACUVSPE-UHFFFAOYSA-N,0,1,0.541,23,254,360.27,4.14,4,0.515,0.76,1.0,0.9402799671030087,0.9636591049276951,0.9849736138715647,0.9888972654375985,0.9694524878349668
EOS-0-01490,c1ccc(CCOc2cncc3nnc(-c4ccc5c(c4)OCCO5)n23)cc1,NBDKGNHABLKOQL-UHFFFAOYSA-N,0,1,0.817,48,576,374.4,3.184,5,0.534,0.9,1.0,0.8562384346514975,0.5803063532314441,0.4963333561784662,0.4367418271537249,0.5924049928037831
EOS-0-01491,FC(F)Oc1ccccc1-c1nnc2cncc(OCc3ccccc3)n12,CDHIFKDFARSHNX-UHFFFAOYSA-N,0,1,0.75,48,135,368.343,3.972,4,0.515,0.92,1.0,0.8799688163936673,0.6764272496744569,0.9282520046604071,0.9017288054280036,0.8465942190391338
EOS-0-01492,Fc1cccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c1,QMJKEHOKXPLHEA-UHFFFAOYSA-N,0,1,0.568,23,254,342.28,4.001,4,0.565,0.92,1.0,0.8586029059008978,0.932484065519841,0.9712836680145295,0.9784199163868138,0.9351976389555205
EOS-0-01493,Fc1cccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c1,OWLGSHPCZZKIEF-UHFFFAOYSA-N,0,1,0.68,90,400,369.787,3.6,4,0.537,0.82,1.0,0.8474487697895964,0.9278065245699404,0.7486035912548832,0.827033787951477,0.8377231683914742
EOS-0-01494,COc1cccc(CCOc2cncc3nnc(-c4ccc([N+](=O)[O-])cc4)n23)c1,OVNVIHTZLZJNDO-UHFFFAOYSA-N,0,1,0.819,48,396,391.387,3.33,4,0.351,0.76,1.0,0.971994722774313,0.6231581111644164,0.4793194434925639,0.1805136728120074,0.5637464875608251
EOS-0-01495,Fc1ccc(CCOc2cncc3nnc(-c4cccc(F)c4)n23)nc1,MADKHKBWFWGAKD-UHFFFAOYSA-N,0,1,0.689,90,400,353.332,3.086,4,0.552,0.86,1.0,0.847457336714413,0.879540470152834,0.7384432184223151,0.7722654375985196,0.8094266157220205
EOS-0-01496,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5C(F)(F)F)cc4)n23)cc1F,HDYPPQSYFJUDBB-UHFFFAOYSA-N,0,1,0.784,79,650,496.439,6.377,5,0.256,0.81,1.0,0.9918014529504489,0.9923497361387157,0.9977897333972997,0.9971386471112329,0.9947698923994244
EOS-0-01497,Clc1cc[n+](Cc2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cc1,DBXKHPMSTIXJOQ-UHFFFAOYSA-N,0,1,0.724,79,824,442.93,4.402,5,0.35,0.69,0.81,0.9754814611746967,0.9339832773627579,0.8521691453635802,0.8429768350352957,0.9011526797340826
EOS-0-01498,Nc1cccc(Oc2cncc3nnc(-c4ccc(F)cc4)n23)c1,RUNJKKLZYQNTEM-UHFFFAOYSA-N,0,1,0.616,48,254,321.315,3.305,4,0.586,0.92,1.0,0.8404838599136454,0.7862980604482215,0.7873089575765883,0.7887653347954219,0.8007140531834692
EOS-0-01499,CC(C)(C)Oc1cccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1,YKQFCNVVXUUIAO-UHFFFAOYSA-N,0,1,0.805,48,948,424.451,4.868,4,0.442,0.81,1.0,0.9136453978479885,0.8564611746967309,0.9372215749434583,0.8411263792748955,0.8871136316907683
EOS-0-01500,FC(F)(F)OCc1cccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,KIBSWOHUAXBPBS-UHFFFAOYSA-N,0,1,0.699,48,444,484.356,5.305,4,0.332,0.78,1.0,0.9805445137413474,0.9611661298060448,0.9995973545336166,0.9982266465629498,0.9848836611609897
EOS-0-01501,Cc1cc(-c2nnc3cncc(Oc4cccnc4)n23)ccc1OC(F)(F)F,CZFUZISTZPDROZ-UHFFFAOYSA-N,0,1,0.519,68,305,387.321,4.186,4,0.523,0.83,1.0,0.9578164622027278,0.8952522102666027,0.9790624357480638,0.9354310876567747,0.9418905489685422
EOS-0-01502,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)cc1,SSCIKIXRKVMHPT-UHFFFAOYSA-N,0,1,0.809,83,497,461.352,6.387,5,0.294,0.87,1.0,0.9695188815022959,0.9857532040298814,0.9546209992461107,0.9734682338427798,0.9708403296552669
EOS-0-01503,Oc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c(OC(F)F)c1,YHMZQJVOPXRGJA-UHFFFAOYSA-N,0,1,0.602,48,396,416.359,3.859,4,0.493,0.72,0.998,0.9466794599410595,0.9185542457679391,0.9532331574258104,0.9290829963676239,0.9368874648756083
EOS-0-01504,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2F)cn1,MMJZUOKATGFSOU-UHFFFAOYSA-N,0,1,0.73,91,222,475.911,5.276,5,0.319,0.82,1.0,0.9699643615927627,0.9697587553971626,0.9088307861010212,0.8815451305599342,0.9325247584127201
EOS-0-01505,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccccc5OC(F)F)c4)n23)cc1,UKIBSXKMWTWRGP-UHFFFAOYSA-N,0,1,0.709,79,640,462.431,5.778,5,0.307,0.84,1.0,0.9822750325543143,0.9683709135768624,0.9827890480433144,0.9780686724693304,0.9778759166609554
EOS-0-01506,COc1ccccc1CCOc1cncc2nnc(-c3ccccc3Cl)n12,XQFAYPKHKSWLSZ-UHFFFAOYSA-N,0,1,0.761,48,135,380.835,4.075,4,0.504,0.89,1.0,0.7477468987732163,0.8795490370776506,0.7384517853471317,0.7151154821465286,0.770215800836132
EOS-0-01507,Fc1cccc(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)n1,FZXMYDZHFWNCDC-UHFFFAOYSA-N,0,1,0.671,48,400,369.787,3.6,4,0.503,0.82,1.0,0.8206771297375094,0.9258189980124735,0.710026728805428,0.7887739017202385,0.8113241895689124
EOS-0-01508,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)cc4F)n23)c(F)c1,LTVZGVFUGTZLGR-UHFFFAOYSA-N,0,1,0.542,23,254,360.27,4.14,4,0.515,0.82,1.0,0.9296912480296073,0.9547323692687273,0.9872181481735316,0.9918185868000823,0.9658650880679871
EOS-0-01509,Fc1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4OC(F)F)n23)c(F)c1,LPFUHTWSSKHRHX-UHFFFAOYSA-N,0,1,0.59,23,254,424.741,5.117,4,0.416,0.84,1.0,0.9475104516482763,0.967557055719279,0.9941059557261326,0.9965817969981495,0.9764388150229594
EOS-0-01510,Fc1cc(F)cc(CCOc2cncc3nnc(-c4cccc(COC(F)F)c4)n23)c1,JUDPLQDYLUZNGU-UHFFFAOYSA-N,0,1,0.638,48,240,432.377,4.43,4,0.386,0.78,1.0,0.9484099787540264,0.9536615036666438,0.9837399766979645,0.9772462476869302,0.9657644267013913
EOS-0-01511,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,MHWGEWYMQGZQRM-UHFFFAOYSA-N,0,1,0.607,11,275,412.428,4.009,5,0.419,0.85,1.0,0.9538157083133438,0.9258275649372901,0.6391182920978685,0.6289750531149338,0.786934154615859
EOS-0-01512,Cc1noc(C)c1CCOc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,QDLGZOSPPYMBFW-UHFFFAOYSA-N,0,1,0.74,90,305,401.373,3.619,4,0.467,0.83,1.0,0.8781697621821671,0.829946542389144,0.5549225549996574,0.4742563909259132,0.6843238126242204
EOS-0-01513,Clc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)c2[nH]ccc2c1,WTZRZLVHOGZVKY-UHFFFAOYSA-N,0,1,0.642,48,135,389.846,4.548,5,0.479,0.74,0.997,0.9205417723254061,0.927815091494757,0.7671424165581523,0.8450671646905626,0.8651416112672196
EOS-0-01514,Fc1cccc(Oc2cncc3nnc(-c4cccc(F)c4)n23)c1,ATXCVBMFJBGESE-UHFFFAOYSA-N,0,1,0.738,48,254,324.29,3.862,4,0.574,0.91,1.0,0.7446456719895826,0.8534798848605305,0.9282605715852238,0.9491038996641765,0.8688725070248784
EOS-0-01515,Cc1ccc(CCOc2cncc3nnc(-c4c(F)cccc4F)n23)cn1,XZVRKLKCGVZOTM-UHFFFAOYSA-N,0,1,0.635,90,400,367.359,3.394,4,0.541,0.85,1.0,0.9044359536700706,0.8564697416215475,0.7622678363374683,0.7391371393324652,0.8155776677403879
EOS-0-01516,COc1cc(OC(F)F)cc(-c2nnc3cncc(OCCc4ccccc4Br)n23)c1,LMBGIYSORKMWMU-UHFFFAOYSA-N,0,1,0.733,48,40,491.292,4.785,4,0.353,0.77,1.0,0.9623912000548284,0.9462254129257761,0.9475875539716263,0.8993557672537866,0.9388899835515043
EOS-0-01517,O=[N+]([O-])c1cccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1,ZKLDAVMYCLQNEZ-UHFFFAOYSA-N,0,1,0.725,48,396,395.806,3.974,4,0.362,0.85,1.0,0.9585018161880612,0.7244362963470633,0.609348228359948,0.4742649578507299,0.6916378246864506
EOS-0-01518,Fc1ccccc1Oc1cncc2nnc(-c3ccc(OC4CC4)cc3)n12,AQKIVVINCOAYOV-UHFFFAOYSA-N,0,1,0.605,48,254,362.364,4.264,5,0.531,0.87,1.0,0.8521348776643136,0.8997070111712699,0.7207096840518128,0.7956617092728394,0.817053320540059
EOS-0-01519,Fc1ccc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)nc1,FFRQDYNBMYKZOC-UHFFFAOYSA-N,0,1,0.63,23,708,357.295,3.183,4,0.561,0.72,1.0,0.8586114728257145,0.9185628126927559,0.9144421218559385,0.9218867795216229,0.9033757967240079
EOS-0-01520,COc1ccccc1CCOc1cncc2nnc(-c3ccccc3)n12,GQPUHOZPVSNETP-UHFFFAOYSA-N,0,1,0.754,48,135,346.39,3.421,4,0.535,0.92,1.0,0.8586200397505311,0.5561904598725241,0.5514443835240902,0.4429185799465424,0.602293365773422
EOS-0-01521,COc1cccc(CCOc2cncc3nnc(-c4ccc(Br)c(OC)c4)n23)c1,RHDLMLKKEKEKLM-UHFFFAOYSA-N,0,1,0.734,48,396,455.312,4.193,4,0.416,0.77,1.0,0.9244739908162566,0.840261119868412,0.7647693783839353,0.57476355287506,0.7760670104859159
EOS-0-01522,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)cc4Cl)n23)c(F)c1,LNVZMJLSWVZRJH-UHFFFAOYSA-N,0,1,0.542,23,254,376.725,4.654,4,0.522,0.85,1.0,0.9136539647728051,0.9653724898910288,0.9872267150983483,0.994405798094716,0.9651647419642245
EOS-0-01523,O=[N+]([O-])c1cc(F)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,FVYMSQNSQCVYIY-UHFFFAOYSA-N,0,1,0.773,48,135,379.351,3.46,4,0.376,0.85,1.0,0.9509200877253101,0.5610307723939415,0.4999057638270167,0.36051333013501474,0.5930924885203208
EOS-0-01524,Oc1ccc(-c2nnc3cncc(Oc4cccc(F)c4)n23)cc1O,UIHOUQUZCKNYBI-UHFFFAOYSA-N,0,1,0.676,48,254,338.298,3.134,4,0.558,0.82,1.0,0.8963744774175861,0.8333476115413612,0.8251147967925434,0.7887824686450552,0.8359048385991364
EOS-0-01525,CC(Oc1cncc2nnc(-c3cc(F)c(Cl)cc3Cl)n12)c1ccccc1,ZJFKRCGQFHQCKU-UHFFFAOYSA-N,0,1,0.562,23,906,403.244,5.377,4,0.43,0.76,0.995,0.9530446850798437,0.9741707216777465,0.9861644164210814,0.9902251387841821,0.9759012404907135
EOS-0-01526,Oc1ccccc1-c1nnc2cncc(OCc3c(F)cccc3F)n12,KKHNGLWUXAHKDT-UHFFFAOYSA-N,0,1,0.532,48,17,354.316,3.354,4,0.608,0.85,1.0,0.9269412651634569,0.8106195600027414,0.9015403330820368,0.895372147214036,0.8836183263655678
EOS-0-01527,Fc1ccc(CCOc2cncc3nnc(-c4c(F)cc(Cl)cc4OCC(F)F)n23)cc1,OZYSFYPTAZXODY-UHFFFAOYSA-N,0,1,0.671,23,240,466.822,4.988,4,0.342,0.8,1.0,0.9647128366801453,0.964464395860462,0.9817524501404976,0.980064765951614,0.9727486121581796
EOS-0-01528,Fc1ccc(CCOc2cncc3nnc(-c4cnc5ccccc5c4)n23)cc1,NNSMISOSIUYUFV-UHFFFAOYSA-N,0,1,0.654,91,824,385.402,4.1,5,0.456,0.91,1.0,0.8543108765677473,0.9222551572887396,0.7786649304365705,0.8107651977246247,0.8414990405044205
EOS-0-01529,Fc1ccc(Oc2cncc3nnc(-c4ccccc4F)n23)c(F)c1,RVPJRWAISRVMND-UHFFFAOYSA-N,0,1,0.527,23,254,342.28,4.001,4,0.565,0.87,1.0,0.8818706737029676,0.9278236584195737,0.967865465012679,0.9756099650469467,0.9382924405455417
EOS-0-01530,Fc1cccc(Oc2cncc3nnc(-c4ccccc4Cl)n23)c1,SRDPEWXJVROEFB-UHFFFAOYSA-N,0,1,0.687,48,254,340.745,4.376,4,0.555,0.92,1.0,0.7653262284970187,0.9149818381193887,0.9211842916866562,0.9580734699472278,0.8898914570625729
EOS-0-01531,COc1cccc(Oc2cncc3nnc(-c4cccc(F)c4)n23)c1,WAHAPEHESDXUAW-UHFFFAOYSA-N,0,1,0.658,48,254,336.326,3.731,4,0.568,0.91,1.0,0.782520046604071,0.8260999931464601,0.845444109382496,0.7933829072716058,0.8118617641011582
EOS-0-01532,Fc1c(OC(F)F)cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(Cl)c1F,JYPAEYREJVUZEP-UHFFFAOYSA-N,0,1,0.68,23,240,487.24,5.599,4,0.251,0.81,1.0,0.9865242272633815,0.9863443218422315,0.9946114042903159,0.9969844424645329,0.9911160989651154
EOS-0-01533,Fc1cccc(Oc2cncc3nnc(-c4cc(Cl)ccc4F)n23)c1,HTFDQXFYLUXVHG-UHFFFAOYSA-N,0,1,0.652,23,254,358.735,4.515,4,0.54,0.91,1.0,0.8332019738194778,0.9204561030772394,0.9687821259680625,0.9841083544650813,0.9266371393324653
EOS-0-01534,c1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccccc5)c4)n23)cc1,UQZZYFOGOKCKOJ-UHFFFAOYSA-N,0,1,0.852,79,650,392.462,5.08,5,0.404,0.87,1.0,0.9269498320882736,0.8366801452950449,0.7786734973613871,0.8000137070797066,0.8355792954561031
EOS-0-01535,COc1cccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c1,XZRINNGVYACDGD-UHFFFAOYSA-N,0,1,0.579,48,254,354.316,3.87,4,0.557,0.87,1.0,0.8633061476252485,0.8534884517853472,0.9322184908505243,0.8993643341786033,0.8870943561099308
EOS-0-01536,FC(F)(F)c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cn1,ZJELLOUSVOLCFW-UHFFFAOYSA-N,0,1,0.708,1,676,462.435,4.889,5,0.358,0.77,1.0,0.9641731204166952,0.9383866767185252,0.947596120896443,0.8829758070043178,0.9332829312589952
EOS-0-01537,Clc1ccccc1-c1nnc2cncc(OCCc3ccccn3)n12,JHJNSZUCXYBQMQ-UHFFFAOYSA-N,0,1,0.681,48,400,351.797,3.461,4,0.551,0.87,1.0,0.7653347954218354,0.8684720032896991,0.5141182920978685,0.6205966006442327,0.6921304228634089
EOS-0-01538,Fc1cccc(Oc2cncc3nnc(-c4cccc(Cl)c4)n23)c1,IZRMKJSFJWQXHN-UHFFFAOYSA-N,0,1,0.738,48,254,340.745,4.376,4,0.555,0.9,1.0,0.7173942841477623,0.916806593105339,0.929956822698924,0.9616458775957782,0.8814508943869508
EOS-0-01539,FC(F)(F)Oc1ccc(CCOc2cncc3nnc(-c4ccccc4Cl)n23)cc1Cl,PFXLAIASWGPEHQ-UHFFFAOYSA-N,0,1,0.753,48,240,469.25,5.618,4,0.367,0.78,1.0,0.9466880268658763,0.9781714755671305,0.9949026797340826,0.9954852306216161,0.9788118531971763
EOS-0-01540,N#Cc1cccc(Oc2cncc3nnc(-c4cc(Cl)ccc4OC(F)F)n23)c1,WGBRPTMSMCROGY-UHFFFAOYSA-N,0,1,0.573,48,254,413.771,4.71,4,0.471,0.86,1.0,0.9150846412171887,0.9185713796175725,0.9840226852169145,0.9837742443972312,0.9503632376122267
EOS-0-01541,CS(=O)(=O)c1cccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,NOKPEBXRABUNDI-UHFFFAOYSA-N,0,1,0.776,48,444,432.408,3.589,4,0.459,0.77,1.0,0.820685696662326,0.901951545473237,0.867058460694949,0.8231101363854431,0.8532014598039888
EOS-0-01542,CS(=O)(=O)c1cccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,GFQQJAGTFKRPOX-UHFFFAOYSA-N,0,1,0.653,48,444,450.398,3.886,4,0.455,0.86,1.0,0.8610273456240148,0.9324926324446576,0.9600695634295113,0.919667945994106,0.9183143718730724
EOS-0-01543,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1,FINJBYOLYPRANQ-UHFFFAOYSA-N,0,1,0.817,48,135,377.379,2.651,4,0.557,0.84,1.0,0.8963830443424029,0.34006408059762866,0.6182920978685491,0.5356726749366048,0.5976029744362963
EOS-0-01544,Fc1ccc(COc2cncc3nnc(-c4cccc5ccccc45)n23)c(F)c1,LBPXZUDRGNHGCR-UHFFFAOYSA-N,0,1,0.531,57,709,388.377,4.802,5,0.444,0.82,1.0,0.9516140086354602,0.9339918442875745,0.9525906380645603,0.9651754506202453,0.9508429854019602
EOS-0-01545,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)cc1,QEYRYCWYJDSKRV-UHFFFAOYSA-N,0,1,0.697,83,23,427.895,5.128,5,0.376,0.78,1.0,0.956985470495511,0.9711722979919128,0.7981118497704064,0.8392073881159618,0.8913692515934479
EOS-0-01546,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c1,DIFRMHKBNFASEA-UHFFFAOYSA-N,0,1,0.662,1,326,397.413,4.571,5,0.435,0.83,1.0,0.9659379069289288,0.8819991775752176,0.8908916455349187,0.8885443081351518,0.9068432595435543
EOS-0-01547,Fc1c(F)c(F)c(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c(F)c1F,XPRLTNQUEIOOJO-UHFFFAOYSA-N,0,1,0.765,23,627,475.204,5.415,4,0.22,0.68,1.0,0.9886145569186485,0.9898738948666986,0.9966074977725995,0.9988520320745665,0.9934869954081282
EOS-0-01548,Fc1ccc(-c2nnc3cncc(OC4CCc5nc6ccccc6cc54)n23)cc1,MJFJVSYOGXOOFO-UHFFFAOYSA-N,0,1,0.511,1,660,397.413,4.545,6,0.447,0.6,1.0,0.9766465629497636,0.9644729627852786,0.7151411829209787,0.8085292303474745,0.8661974847508739
EOS-0-01549,COc1ccc(F)cc1-c1nnc2cncc(OCCc3cccc(Cl)c3)n12,ICZUWBVIWQQFBZ-UHFFFAOYSA-N,0,1,0.684,48,396,398.825,4.214,4,0.486,0.88,1.0,0.8980964293057364,0.8029607292166404,0.8815965321088343,0.8717017339455829,0.8635888561441984
EOS-0-01550,Fc1cccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,SZFSGGKCUNSOOX-UHFFFAOYSA-N,0,1,0.568,23,254,358.735,4.515,4,0.54,0.87,1.0,0.8562470015763142,0.939783085463642,0.9712922349393461,0.9837828113220478,0.9377762833253376
EOS-0-01551,COc1ccc(F)cc1Oc1cncc2nnc(-c3ccccc3F)n12,MWGUCDLWDHXTDR-UHFFFAOYSA-N,0,1,0.558,48,254,354.316,3.87,4,0.557,0.87,1.0,0.8874734425330684,0.8684805702145157,0.9098074155301213,0.8773387704749503,0.885775049688164
EOS-0-01552,CC(Oc1cncc2nnc(-c3cc(C(F)(F)F)ccc3F)n12)c1ccccc1,UUYFTPWQIFTFTG-UHFFFAOYSA-N,0,1,0.558,48,240,402.351,5.089,4,0.446,0.74,1.0,0.9641816873415119,0.9536700705914605,0.9987320951271331,0.9967617024192996,0.9783363888698513
EOS-0-01553,Cc1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4F)n23)nc1,DHKWFVVUEFYIOQ-UHFFFAOYSA-N,0,1,0.566,90,305,419.338,4.111,4,0.453,0.68,1.0,0.9340432458364746,0.9611746967308615,0.9840312521417311,0.9542183537797272,0.9583668871221986
EOS-0-01554,O=[N+]([O-])c1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,ITBRAJCPZFNQIJ-UHFFFAOYSA-N,0,1,0.841,48,135,361.361,3.321,4,0.386,0.87,1.0,0.9492923720101433,0.40705743266397093,0.3932047152354191,0.2026591734630937,0.4880534233431568
EOS-0-01555,FC(F)Oc1ccc(-c2nnc3cncc(Oc4cccnc4Cl)n23)cc1Cl,FMUISOLYZNRUIB-UHFFFAOYSA-N,0,1,0.577,90,254,424.194,4.887,4,0.425,0.75,1.0,0.9509286546501268,0.9494808443561099,0.976715098348297,0.978077239394147,0.9638004591871702
EOS-0-01556,COc1cc(OC(F)(F)F)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,QZUIGQFQNBHCTE-UHFFFAOYSA-N,0,1,0.767,48,40,430.386,4.32,4,0.435,0.85,0.999,0.9122147214036049,0.7863066273730381,0.973125556850113,0.9142279487355219,0.8964687135905696
EOS-0-01557,Fc1ccccc1-c1nnc2cncc(OCCc3ccc(-c4ccccc4)cc3)n12,VATYVTPBGFXJBE-UHFFFAOYSA-N,0,1,0.891,79,650,410.452,5.219,5,0.385,0.82,1.0,0.8781783291069838,0.9505859776574601,0.8864025769309849,0.8993729011034199,0.9036349461997122
EOS-0-01558,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(Cl)cc3F)n12,DSHNMJHPWXPEMA-UHFFFAOYSA-N,0,1,0.542,23,254,393.18,5.169,4,0.482,0.83,1.0,0.9340518127612912,0.9751045164827633,0.9874066205194983,0.9960592145843328,0.9731555410869714
EOS-0-01559,Oc1cccc(-c2nnc3cncc(Oc4cccc(F)c4)n23)c1,PXWVZSYLDJCWNR-UHFFFAOYSA-N,0,1,0.71,48,254,322.299,3.428,4,0.625,0.88,1.0,0.7682989514084024,0.7863151942978548,0.8271023233500103,0.837117058460695,0.8047083818792407
EOS-0-01560,CS(=O)(=O)c1ccc(Oc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1,CNHJHKZIYFPTNZ-UHFFFAOYSA-N,0,1,0.667,48,254,445.298,3.75,4,0.476,0.9,1.0,0.8450842985401961,0.8684891371393325,0.6391268590226852,0.6467514221095195,0.7498629292029333
EOS-0-01561,Fc1ccc2ncc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2c1,WLFVBFYJKKUPSV-UHFFFAOYSA-N,0,1,0.667,91,824,385.402,4.1,5,0.456,0.83,1.0,0.8610359125488315,0.9019601123980536,0.764777945308752,0.8021468713590569,0.8324802104036736
EOS-0-01562,c1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1,UBUILHOJRAWXON-UHFFFAOYSA-N,0,1,0.818,17,590,408.461,5.205,5,0.37,0.83,1.0,0.9501576314166267,0.8653108080323487,0.767150983482969,0.7442344595983825,0.8317134706325817
EOS-0-01563,Clc1cccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)c1,OXNBYCVJKXWYDF-UHFFFAOYSA-N,0,1,0.881,79,650,426.907,5.733,5,0.347,0.86,1.0,0.8740919059694332,0.9755842642724968,0.8957233911315194,0.9218953464464396,0.9168237269549723
EOS-0-01564,COc1ccc(-c2nnc3cncc(Oc4cccc(F)c4)n23)cc1OC,OGSMBQBJQMDQGR-UHFFFAOYSA-N,0,1,0.75,48,254,366.352,3.74,4,0.536,0.87,1.0,0.8178586114728257,0.777542663285587,0.8308546364197108,0.6695737098211226,0.7739574052498115
EOS-0-01565,Cc1ccc(C)c(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,PWARIUHKTFLSOL-UHFFFAOYSA-N,0,1,0.75,48,231,378.863,4.683,4,0.505,0.87,1.0,0.8382050579124117,0.8437392913439792,0.8163165650058255,0.8085377972722911,0.8266996778836269
EOS-0-01566,CCS(=O)(=O)c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,MJVBRLARSLZJRJ-UHFFFAOYSA-N,0,1,0.81,48,576,408.483,3.206,4,0.467,0.84,1.0,0.8284130628469605,0.6960540744294428,0.25307552600918376,0.3033376739085738,0.5202200842985402
EOS-0-01567,CN(C)Cc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1Cl,XLGBRUHWKIHWKB-UHFFFAOYSA-N,0,1,0.753,48,135,407.905,4.128,4,0.461,0.83,1.0,0.7625762456308683,0.912831539990405,0.7050579124117606,0.6467599890343362,0.7568064217668425
EOS-0-01568,Fc1ccc(-c2nnc3cncc(OCCc4c[nH]c5ccccc45)n23)cc1C(F)(F)F,FAYQIXZPLHQEDX-UHFFFAOYSA-N,0,1,0.535,48,240,441.388,5.052,5,0.388,0.77,1.0,0.9730998560756631,0.9735967377150299,0.9924868069357823,0.9856332670824481,0.9812041669522308
EOS-0-01569,Fc1ccccc1-c1nnc2cncc(Oc3ccccc3)n12,NMMGBUOYZWSGOM-UHFFFAOYSA-N,0,1,0.631,48,254,306.3,3.723,4,0.579,0.95,1.0,0.765343362346652,0.8029692961414571,0.798120416695223,0.8429854019601124,0.8023546192858612
EOS-0-01570,Fc1cccc(F)c1Oc1cncc2nnc(-c3cccc(Cl)c3)n12,MEOGBVMNKWLOBE-UHFFFAOYSA-N,0,1,0.569,23,254,358.735,4.515,4,0.54,0.78,1.0,0.879977383318484,0.9557089986978274,0.9667517647865123,0.9797734905078473,0.9455529093276678
EOS-0-01571,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc6ccccc6n5)cc4)n23)cc1,HPZZAUPBFYDNOQ-UHFFFAOYSA-N,0,1,0.705,79,650,462.488,5.162,6,0.34,0.84,1.0,0.9585103831128778,0.9697673223219793,0.7786820642862038,0.7862637927489549,0.873305890617504
EOS-0-01572,FC(F)(F)Oc1ccccc1-c1nnc2cncc(OCCc3ccccc3)n12,DDINCHUBYFERGO-UHFFFAOYSA-N,0,1,0.853,48,135,400.36,4.311,4,0.483,0.87,1.0,0.7355732986087314,0.7820145980398876,0.9741278870536633,0.9445719964361593,0.8590719450346104
EOS-0-01573,Fc1ccc(CCOc2cncc3nnc(-c4cc(F)ccc4F)n23)nc1,PMLNVPFUHIXDAG-UHFFFAOYSA-N,0,1,0.556,23,400,371.322,3.225,4,0.539,0.76,1.0,0.9106469741621548,0.9019686793228703,0.8670670276197656,0.8829843739291344,0.8906667637584813
EOS-0-01574,Fc1cccc(-c2nnc3cncc(Oc4ccccc4)n23)c1,GPLDSGVMXFVESG-UHFFFAOYSA-N,0,1,0.662,48,254,306.3,3.723,4,0.579,0.91,1.0,0.7384260845726818,0.7905472551572887,0.8163251319306422,0.8569666232609142,0.8005662737303817
EOS-0-01575,Cc1cccc(CCOc2cncc3nnc(-c4ccccc4)n23)n1,ISAXWXLAUXNJCQ-UHFFFAOYSA-N,0,1,0.657,48,135,331.379,3.116,4,0.562,0.89,1.0,0.8781868960318004,0.632633130011651,0.2859039819066548,0.26151394695360153,0.5145594887259269
EOS-0-01576,O=[N+]([O-])c1cccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c1Cl,WWSUXNOYKGVFLP-UHFFFAOYSA-N,0,1,0.693,48,231,413.796,4.114,4,0.348,0.82,1.0,0.9604465081214447,0.7734476732232198,0.7151497498457954,0.6232694811870331,0.7680783530943732
EOS-0-01577,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Sc5ccccc5)cc4)n23)cc1,HIYUUAIWKSTLDE-UHFFFAOYSA-N,0,1,0.786,79,590,458.974,6.217,5,0.29,0.8,1.0,0.9743763278733466,0.9837057089986978,0.9191881982043726,0.9379583304776917,0.9538071413885272
EOS-0-01578,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)c1,DNGTVQQTGPWFFL-UHFFFAOYSA-N,0,1,0.743,91,876,414.444,3.952,5,0.421,0.75,1.0,0.9283119731341237,0.8366887122198615,0.6357943252690015,0.6084572681790145,0.7523130697005003
EOS-0-01579,CS(=O)(=O)c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1,PRZJJSOCCJJXMO-UHFFFAOYSA-N,0,1,0.577,48,254,402.382,3.265,4,0.521,0.89,1.0,0.8474659036392297,0.8627321636625317,0.8325423206085943,0.8311373449386609,0.8434694332122541
EOS-0-01580,FC(F)Oc1ccc(Cl)cc1-c1nnc2cncc(OCCc3cccc(Br)c3)n12,DYNSYDSPTQFGGS-UHFFFAOYSA-N,0,1,0.658,48,240,495.711,5.43,4,0.342,0.81,1.0,0.9546552669453773,0.9462339798505929,0.9731341237749298,0.9731512576245631,0.9617936570488658
EOS-0-01581,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4-c4ccccn4)n23)cc1,OCDAKQHCNYULLR-UHFFFAOYSA-N,0,1,0.684,79,824,411.44,4.614,5,0.408,0.83,1.0,0.9191796312795559,0.9107926118840382,0.7786906312110204,0.7887910355698718,0.8493634774861215
EOS-0-01582,COc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)n23)cc1,YOUCNTVZGDLSHZ-UHFFFAOYSA-N,0,1,0.778,79,650,490.485,6.107,5,0.276,0.82,1.0,0.9844852991570145,0.9790196011239806,0.992495373860599,0.9756185319717634,0.9829047015283394
EOS-0-01583,c1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)cc1,FZHGCWNELRPSPQ-UHFFFAOYSA-N,0,1,0.773,79,824,382.423,4.673,5,0.427,0.86,1.0,0.935319717634158,0.6862535124391749,0.717762661914879,0.7038157083133438,0.760787900075389
EOS-0-01584,Cc1cccc(-c2nnc3cncc(OCC(C)c4ccccc4)n23)c1,SXQAWUWPUJZETA-UHFFFAOYSA-N,0,1,0.714,48,135,344.418,4.282,4,0.542,0.76,1.0,0.8741004728942499,0.7775512302104036,0.8144318415461586,0.7417329175519156,0.8019541155506819
EOS-0-01585,CS(=O)(=O)c1cccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,JVQMGUKEOQNGMW-UHFFFAOYSA-N,0,1,0.613,48,254,400.847,3.641,4,0.519,0.86,1.0,0.7993540538688233,0.920464670002056,0.6811990267973408,0.746933040915633,0.7869876978959632
EOS-0-01586,COc1cccc(-c2nnc3cncc(OC(C)c4ccc(F)cc4)n23)c1,PSAVQBXFNBIBOR-UHFFFAOYSA-N,0,1,0.633,48,396,364.38,4.079,4,0.534,0.8,1.0,0.8521434445891303,0.8713590569529162,0.9359451031457748,0.8717103008703996,0.8827894763895552
EOS-0-01587,Cn1c(=O)oc2cc(Oc3cncc4nnc(-c5ccc(F)cc5)n34)ccc21,BVYHDRBVFWMDFJ-UHFFFAOYSA-N,0,1,0.593,13,254,377.335,3.168,5,0.48,0.84,1.0,0.9257076279898567,0.7691813446645193,0.60019018573093,0.605296072921664,0.7250938078267425
EOS-0-01588,Fc1ccc(-c2nnc(CCOc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)o2)cc1,VKKZRGDRGKXTJG-UHFFFAOYSA-N,0,1,0.651,91,372,468.395,4.203,5,0.334,0.75,1.0,0.9530532520046604,0.9505945445822768,0.7694212185593859,0.769960934822836,0.8607574874922899
EOS-0-01589,Fc1ccccc1Oc1cncc2nnc(-c3ccccc3F)n12,DPLDHWSUFZPLEB-UHFFFAOYSA-N,0,1,0.521,48,254,324.29,3.862,4,0.574,0.95,1.0,0.8127698581317251,0.8627407305873483,0.9191967651291892,0.9379668974025084,0.8831685628126928
EOS-0-01590,Cc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)nc1,UEKZEYCVYWWMQJ-UHFFFAOYSA-N,0,1,0.687,15,135,331.379,3.116,4,0.562,0.87,1.0,0.854319443492564,0.6278099513398671,0.32963813309574397,0.30022788020012336,0.5279988520320746
EOS-0-01591,CC(F)(F)CCOc1c(F)cc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1Cl,DZWOBLHLHRADND-UHFFFAOYSA-N,0,1,0.743,48,40,476.886,5.629,4,0.313,0.77,1.0,0.9689705983140292,0.9653810568158454,0.9622369954081283,0.9371873072441916,0.9584439894455486
EOS-0-01592,Cc1cccc(-c2nnc3cncc(Oc4cccc(F)c4)n23)c1,PPAYLQRVRGRARB-UHFFFAOYSA-N,0,1,0.7,48,254,320.327,4.031,4,0.572,0.85,1.0,0.7683075183332191,0.7691899115893359,0.8487937769858132,0.8552875059968473,0.8103946782263038
EOS-0-01593,O=S(=O)(c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1)C(F)(F)C(F)F,GINRPDHMLMLEMR-UHFFFAOYSA-N,0,1,0.836,48,240,516.423,4.323,4,0.324,0.71,0.999,0.8856058529230347,0.9484099787540264,0.9867812350078816,0.9856418340072648,0.9516097251730519
EOS-0-01594,Fc1cccc(F)c1COc1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)n12,ACZCXSDGNNCPQD-UHFFFAOYSA-N,0,1,0.627,79,590,430.414,5.441,5,0.359,0.77,1.0,0.9798934274552806,0.9536786375162771,0.9494722774312933,0.9436896031800425,0.9566834863957233
EOS-0-01595,c1ccc(CCOc2cncc3nnc(-c4ccc5c(c4)OCC5)n23)cc1,NUTRUZZUPQYYHE-UHFFFAOYSA-N,0,1,0.792,48,576,358.401,3.348,5,0.547,0.82,1.0,0.7384346514974984,0.6231666780892331,0.507144815297101,0.49554519909533273,0.5910728359947913
EOS-0-01596,Fc1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)c(F)c1F,UMUBKXKBNXETHD-UHFFFAOYSA-N,0,1,0.481,23,254,376.725,4.654,4,0.488,0.86,1.0,0.8928534713179357,0.9620228222877116,0.9875865259406483,0.9931807278459325,0.958910886848057
EOS-0-01597,c1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccc5)cc4)n23)cc1,DTBSDKWSOGAXIO-UHFFFAOYSA-N,0,1,0.859,79,824,422.488,4.992,5,0.352,0.81,1.0,0.9012062230141868,0.8402696867932287,0.7981289836200397,0.7442430265231992,0.8209619799876636
EOS-0-01598,Fc1ccc(Oc2cncc3nnc(-c4cccc(F)c4F)n23)c(F)c1,MCBCLPPDCSMVTC-UHFFFAOYSA-N,0,1,0.506,23,254,360.27,4.14,4,0.515,0.81,1.0,0.9090620930710712,0.9294342402851072,0.987595092865465,0.9911589335891988,0.9543125899527105
EOS-0-01599,CS(=O)(=O)c1ccc(CCOc2cncc3nnc(-c4cccc(F)c4F)n23)cc1,GGIXDSZWKWPNQW-UHFFFAOYSA-N,0,1,0.72,48,101,430.436,3.095,4,0.467,0.79,1.0,0.79936262079364,0.8029778630662737,0.7762833253375369,0.7674165581522857,0.786510091837434
EOS-0-01600,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)nc1,JGMWVQOAFIKQDI-UHFFFAOYSA-N,0,1,0.568,23,281,389.312,3.364,4,0.387,0.72,1.0,0.9363563155369748,0.9547409361935439,0.940040093208142,0.9387893221849085,0.9424816667808923
EOS-0-01601,FC(F)Oc1ccc(Cl)cc1-c1nnc2cncc(Oc3ccccc3)n12,CDOKQHCJGACRCO-UHFFFAOYSA-N,0,1,0.657,48,254,388.761,4.838,4,0.489,0.88,1.0,0.8023953121787403,0.8402782537180453,0.9687906928928792,0.970212802412446,0.8954192653005277
EOS-0-01602,Clc1cccc(-c2nnc3cncc(OCCc4ccccn4)n23)c1Cl,JYIVQVWAFBBIIS-UHFFFAOYSA-N,0,1,0.641,90,400,386.242,4.115,4,0.516,0.84,1.0,0.8049139880748406,0.8820077445000343,0.7411846343636488,0.833193406894661,0.8153249434582962
EOS-0-01603,CCC(=O)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,CSGHDOPKYHPZLU-UHFFFAOYSA-N,0,1,0.821,48,576,388.427,3.728,4,0.355,0.82,1.0,0.9106555410869714,0.59970187101638,0.3520406414913303,0.25233020355013364,0.5286820642862039
EOS-0-01604,O=[N+]([O-])c1cccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c1F,PQNQYTBOSQNQQV-UHFFFAOYSA-N,0,1,0.693,48,231,397.341,3.599,4,0.364,0.82,1.0,0.9611404290315948,0.6140429031594818,0.715158316770612,0.5651000616818587,0.7138604276608869
EOS-0-01605,Fc1cc(F)c(-c2nnc3cncc(OCCc4cc(Cl)cs4)n23)c(F)c1,GFYUUXVOJQFUGV-UHFFFAOYSA-N,0,1,0.558,90,281,410.808,4.545,4,0.484,0.71,1.0,0.963067987115345,0.9565999588787609,0.9307706805565075,0.9536101021177438,0.9510121821670894
EOS-0-01606,C=CC(=O)Nc1cccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,GHOKFAJESGBIMO-UHFFFAOYSA-N,0,1,0.603,48,444,441.369,4.607,4,0.44,0.86,1.0,0.9320642862038243,0.8402868206428621,0.9299653896237406,0.7956702761976561,0.8744966931670208
EOS-0-01607,FC(F)(F)Oc1ccc(-c2nnc3cncc(OC4CCOCC4)n23)cc1,JAWBIEPAZOSKQO-UHFFFAOYSA-N,0,1,0.657,68,548,380.326,3.248,4,0.692,0.86,1.0,0.802403879103557,0.5903639229662121,0.8290555822082105,0.8371256253855116,0.7647372524158729
EOS-0-01608,COc1cc(F)c(F)c(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c1,ZRDXLHRPLGLHDG-UHFFFAOYSA-N,0,1,0.512,23,254,390.296,4.149,4,0.49,0.82,1.0,0.9090706599958879,0.9068004249194709,0.9849821807963813,0.9780858063189637,0.944734768007676
EOS-0-01609,COc1ccc(-c2nnc3cncc(Oc4cccc(C(F)(F)F)n4)n23)cc1Cl,RETZFHMKVZWZAF-UHFFFAOYSA-N,0,1,0.482,48,305,421.766,4.659,4,0.477,0.77,1.0,0.9554948255774107,0.9397916523884586,0.9852134877664314,0.9469193338359263,0.9568548248920568
EOS-0-01610,Fc1ccc(CCOc2cncc3nnc(-c4ccc5ccc(-c6ccc(F)cc6)cc5c4)n23)cc1,KPYQXOMATIHMQV-UHFFFAOYSA-N,0,1,0.753,83,497,478.502,6.511,6,0.274,0.75,1.0,0.9858217394284148,0.9904478788294154,0.9702727708861627,0.9768607360701802,0.9808507813035432
EOS-0-01611,CN(C)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,RWBIWNCZKKLKBQ-UHFFFAOYSA-N,0,1,0.87,48,396,393.878,4.132,4,0.493,0.83,1.0,0.7355818655335481,0.743163593996299,0.7832996367623878,0.632144815297101,0.7235474778973339
EOS-0-01612,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cncc(F)c5)c4)n23)cc1,PJBDTEHPZIXTTP-UHFFFAOYSA-N,0,1,0.711,57,222,429.43,4.753,5,0.39,0.8,1.0,0.9059522993626208,0.9128401069152217,0.9182458364745391,0.9207902131450895,0.9144571139743677
EOS-0-01613,Cc1ccccc1-c1nnc2cncc(Oc3ccc(F)cc3)n12,ANMGGZRFZZDODO-UHFFFAOYSA-N,0,1,0.643,48,254,320.327,4.031,4,0.572,0.92,1.0,0.7593293811253512,0.764777945308752,0.8308632033445275,0.8371341923103283,0.7980261805222397
EOS-0-01614,Fc1cc(F)cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,BZVPNQGUFXQWHJ-UHFFFAOYSA-N,0,1,0.571,23,254,376.725,4.654,4,0.522,0.86,1.0,0.8543280104173806,0.9515626070865603,0.987235282023165,0.9942001918991159,0.9468315228565555
EOS-0-01615,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c(OC)c1,ICSPUIHTGRXAIT-UHFFFAOYSA-N,0,1,0.747,48,948,412.396,3.708,4,0.461,0.77,1.0,0.8856144198478514,0.6667294907819888,0.9003409636077033,0.7795301898430539,0.8080537660201493
EOS-0-01616,CC(C)Oc1cc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)c(F)c4)n23)ccc1F,BYLKAZDMGLBMIQ-UHFFFAOYSA-N,0,1,0.632,48,40,494.42,5.377,4,0.307,0.69,1.0,0.9757984373929134,0.979859159756014,0.9948084435610993,0.9804759783428141,0.9827355047632103
EOS-0-01617,Clc1ccc(CCOc2cncc3nnc(-c4ccccc4-c4ccccn4)n23)cc1,QEJBIGGHIQKQIM-UHFFFAOYSA-N,0,1,0.684,79,824,427.895,5.128,5,0.376,0.86,1.0,0.9106641080117881,0.9278322253443904,0.7809608662874374,0.8212254129257761,0.8601706531423481
EOS-0-01618,Cc1ccc(COc2cncc3nnc(-c4c(F)cccc4OC(F)(F)F)n23)cn1,QACTXVNWTKKUIL-UHFFFAOYSA-N,0,1,0.6,48,305,419.338,4.111,4,0.453,0.82,1.0,0.9090792269207045,0.8974796107189363,0.9813840723733809,0.9476646562949763,0.9339018915769994
EOS-0-01619,FC(F)(F)Oc1ccc(Br)c(-c2nnc3cncc(OCc4ccccn4)n23)c1,FUFHDDYRGFWGQQ-UHFFFAOYSA-N,0,1,0.658,48,305,466.217,4.426,4,0.434,0.79,1.0,0.8450928654650127,0.9185799465423892,0.9773233500102803,0.9491124665889932,0.9225271571516688
EOS-0-01620,Fc1ccc(Oc2cncc3nnc(-c4ccc(SC(F)F)cc4F)n23)c(F)c1,RKORYCCWCQSUEU-UHFFFAOYSA-N,0,1,0.658,23,254,424.354,5.316,4,0.321,0.79,1.0,0.9373415118908917,0.9704869440065794,0.995305325200466,0.9969930093893496,0.9750316976218216
EOS-0-01621,Fc1ccc(COc2cncc3nnc(-c4ccccc4OC(F)F)n23)nc1,SPCPSZCDAFZSJA-UHFFFAOYSA-N,0,1,0.625,90,305,387.321,3.506,4,0.504,0.8,1.0,0.7938198204372559,0.8820163114248509,0.9211928586114728,0.8925964635734357,0.8724063635117538
EOS-0-01622,COc1ccc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)cc1Cl,QBUUADPGXLGAQN-UHFFFAOYSA-N,0,1,0.632,90,708,385.786,3.566,4,0.523,0.83,1.0,0.7908984990747722,0.8472003289699129,0.8406551984099787,0.8000222740045233,0.8196940751147967
EOS-0-01623,COc1cc(F)ccc1-c1nnc2cncc(Oc3cccc(Cl)c3F)n12,FHUBYDSMAOSXQV-UHFFFAOYSA-N,0,1,0.544,23,254,388.761,4.524,4,0.514,0.83,1.0,0.89952710575012,0.8846977588924679,0.9645157974093619,0.9593071071208279,0.9270119422931944
EOS-0-01624,Clc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1OCc1ccccc1,GJZOSCKIIWIRIO-UHFFFAOYSA-N,0,1,0.743,79,824,456.933,5.645,5,0.302,0.81,1.0,0.9459255705571928,0.9473648139263929,0.8828730039065177,0.8717188677952162,0.9119705640463299
EOS-0-01625,COc1ccc(-c2nnc3cncc(Oc4cc(F)ccc4C)n23)cc1OC,YNSRAYVRGVQSOV-UHFFFAOYSA-N,0,1,0.57,48,396,380.379,4.048,4,0.52,0.87,1.0,0.9269583990130903,0.7775597971352204,0.8439277636899458,0.6321533822219176,0.7951498355150435
EOS-0-01626,COc1c(F)cc(F)cc1-c1nnc2cncc(OCc3cccc(C(F)(F)F)c3)n12,USHCKGNUDVZAFF-UHFFFAOYSA-N,0,1,0.518,48,240,436.34,4.676,4,0.426,0.76,1.0,0.9630765540401618,0.9019772462476869,0.9971472140360497,0.9911675005140155,0.9633421287094784
EOS-0-01627,COc1c(OC(F)(F)F)ccc(-c2nnc3cncc(Oc4ccccc4C#N)n23)c1Cl,YPSYLYIAMIXREP-UHFFFAOYSA-N,0,1,0.477,48,444,461.787,5.016,4,0.412,0.79,1.0,0.9708810225481461,0.9594870125419779,0.992135563018299,0.977254814611747,0.9749396031800426
EOS-0-01628,Fc1cc(COc2cncc3nnc(-c4ccccc4)n23)ccc1Oc1ccccc1,NISNCFNBRPRYAG-UHFFFAOYSA-N,0,1,0.618,79,590,412.424,5.302,5,0.379,0.9,1.0,0.9569940374203276,0.9128486738400384,0.9003495305325201,0.8801572887396341,0.91258738263313
EOS-0-01629,FC(F)COc1cc(OC(F)F)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,CZYJELKPMYQQEC-UHFFFAOYSA-N,0,1,0.74,48,40,462.403,4.658,4,0.32,0.79,0.995,0.9459341374820095,0.8564783085463642,0.9735282023164965,0.9454115550681927,0.9303380508532657
EOS-0-01630,COc1cccc(CCOc2cncc3nnc(-c4cccc(OC)c4)n23)c1,PJXYWFGWFXTVAE-UHFFFAOYSA-N,0,1,0.781,48,396,376.416,3.43,4,0.492,0.84,1.0,0.8151857309300253,0.5329740936193544,0.6623089575765883,0.44625968062504284,0.6141821156877527
EOS-0-01631,CCC(Oc1cncc2nnc(-c3ccccc3)n12)c1ccccc1,DIGKBMSDAPRUBM-UHFFFAOYSA-N,0,1,0.631,48,135,330.391,4.321,4,0.547,0.81,1.0,0.7938283873620725,0.7061202110890274,0.7694297854842026,0.7366612980604482,0.7515099204989377
EOS-0-01632,Fc1cc(F)cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c1,LOXSVFBMCXDYFL-UHFFFAOYSA-N,0,1,0.571,23,254,360.27,4.14,4,0.515,0.87,1.0,0.8451014323898294,0.9258361318621068,0.9872438489479817,0.9916815160030156,0.9374657323007334
EOS-0-01633,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc(OC)c1OC,VUOIXTIMLDQOCH-UHFFFAOYSA-N,0,1,0.783,48,396,442.422,3.717,4,0.412,0.74,1.0,0.9012147899390035,0.647256870673703,0.8625779590158317,0.6321619491467343,0.7608028921938181
EOS-0-01634,Cc1ccccc1-c1nnc2cncc(OCCc3ccccc3)n12,ZKOTWHQUUBLJIC-UHFFFAOYSA-N,0,1,0.831,48,135,330.391,3.721,4,0.559,0.9,1.0,0.7416643821533823,0.5059026111986841,0.557869577136591,0.5455332054005894,0.5877424439723117
EOS-0-01635,COc1cccc(-c2nnc3cncc(Oc4ccc5c(c4F)OCO5)n23)c1,HKJRPYPTCBPIBC-UHFFFAOYSA-N,0,1,0.488,48,254,380.335,3.46,5,0.536,0.81,1.0,0.9308220821054074,0.8299551093139607,0.8196405318346927,0.646768555959153,0.8067965698033035
EOS-0-01636,COc1cc(OC)cc(Oc2cncc3nnc(-c4cccc(OC(F)(F)F)c4)n23)c1,LAHJUFSMNVWWBR-UHFFFAOYSA-N,0,1,0.589,48,444,432.358,4.499,4,0.444,0.85,1.0,0.9493009389349599,0.8847063258172846,0.9861729833458982,0.9259903365088068,0.9365426461517373
EOS-0-01637,Cc1ccc(-c2nnc3cncc(Oc4ccccc4)n23)cc1,QHUHMSKPLDZHKW-UHFFFAOYSA-N,0,1,0.71,48,135,302.337,3.892,4,0.576,0.9,1.0,0.7825286135288877,0.5192927146871359,0.6837434034678912,0.672452196559523,0.6645042320608595
EOS-0-01638,COc1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1OC,OXBBNCXWYDQLFL-UHFFFAOYSA-N,0,1,0.595,48,254,384.342,3.879,4,0.52,0.82,1.0,0.8981049962305531,0.7943424028510726,0.9200620245356727,0.8130782674251251,0.8563969227606059
EOS-0-01639,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCC4CCOCC4)n23)cc1,XGZQFWQYNRCJOI-UHFFFAOYSA-N,0,1,0.729,78,548,408.38,3.885,4,0.616,0.83,1.0,0.7768144746761703,0.637507710232335,0.6267904872866835,0.7417414844767323,0.6957135391679803
EOS-0-01640,COc1ccc(Oc2cncc3nnc(-c4ccccc4)n23)cc1,LLBGTKJQCNCHIZ-UHFFFAOYSA-N,0,1,0.71,48,254,318.336,3.592,4,0.575,0.92,1.0,0.7536152422726338,0.4477588924679597,0.6784233431567405,0.5811459118634775,0.6152358474402029
EOS-0-01641,FC(F)Oc1ccccc1-c1nnc2cncc(Oc3ccccc3)n12,KQXNALCGPGPTSL-UHFFFAOYSA-N,0,1,0.734,48,254,354.316,4.185,4,0.538,0.93,1.0,0.7653519292714687,0.5561990267973408,0.9248766362826399,0.9064491810019876,0.7882191933383592
EOS-0-01642,COc1cccc(CCOc2cncc3nnc(-c4cc(OC)ccc4Cl)n23)c1,JTDRISQCMYUDID-UHFFFAOYSA-N,0,1,0.696,48,396,410.861,4.083,4,0.457,0.85,1.0,0.7854242341169214,0.7905558220821054,0.8041772325406072,0.6814988691659242,0.7654140394763895
EOS-0-01643,CCOc1ccc(CCOc2cncc3nnc(-c4ccc([N+](=O)[O-])cc4)n23)cc1,OATRQLZXRXJUQD-UHFFFAOYSA-N,0,1,0.817,48,576,405.414,3.72,4,0.325,0.82,1.0,0.9591871701733946,0.4968816393667329,0.4793280104173806,0.18052223973682407,0.528979764923583
EOS-0-01644,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cccc(Cl)c3)n12,GBHGCOXYFMMCBL-UHFFFAOYSA-N,0,1,0.568,23,254,375.19,5.03,4,0.504,0.85,1.0,0.8428568980878623,0.9355595915290248,0.9716520457816462,0.9883746830237817,0.9346108046055788
EOS-0-01645,Fc1cccc(Oc2cncc3nnc(-c4cc(Cl)cc(Cl)c4)n23)c1,VBGDCVNSMWEDCP-UHFFFAOYSA-N,0,1,0.712,23,254,375.19,5.03,4,0.504,0.89,1.0,0.7384432184223151,0.9168151600301556,0.9692276060585292,0.9880834075800151,0.9031423480227537
EOS-0-01646,c1ccc(CCOc2cncc3nnc(-c4ccc(C[n+]5ccccc5)cc4)n23)cc1,MSLBZITUXLPZRF-UHFFFAOYSA-N,0,1,0.729,79,824,408.485,3.749,5,0.385,0.67,0.997,0.9555033925022274,0.7290453018984305,0.7050664793365773,0.6436673291755192,0.7583206257281886
EOS-0-01647,COc1ccc(F)c(-c2nnc3cncc(Oc4ccccc4F)n23)c1,WEOUYDPOEBBUQL-UHFFFAOYSA-N,0,1,0.506,48,254,354.316,3.87,4,0.557,0.89,1.0,0.8356692481666781,0.8183383592625592,0.9239685422520731,0.8968370913576863,0.8687033102597492
EOS-0-01648,FC(F)(F)Oc1cccc(-c2nnc3cncc(OCc4ccc(OCc5ccccc5)cc4)n23)c1,UTMJVBYPQQIWDN-UHFFFAOYSA-N,0,1,0.667,79,713,492.457,5.848,5,0.271,0.91,1.0,0.9670173394558289,0.9412480296072921,0.9894369817010485,0.9702213693372627,0.966980930025358
EOS-0-01649,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2F)cn1,ONDGYFHISHQCHO-UHFFFAOYSA-N,0,1,0.767,91,309,414.444,3.952,5,0.421,0.82,1.0,0.8562555685011308,0.8145003769446919,0.7486121581796998,0.7097782879857446,0.7822865979028168
EOS-0-01650,CC(Oc1cncc2nnc(-c3ccc4ccccc4c3)n12)c1ccccc1,QCMYPJKXABPPJX-UHFFFAOYSA-N,0,1,0.694,79,824,366.424,5.085,5,0.445,0.77,0.999,0.8233071756562265,0.8029864299910904,0.9070317318895209,0.9041789459255706,0.8593760708656021
EOS-0-01651,Fc1cc(Cl)cc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)nc4)n23)c1,YNSWWXGHTFOBLK-UHFFFAOYSA-N,0,1,0.743,57,732,445.885,5.267,5,0.356,0.76,1.0,0.887482009457885,0.945145980398876,0.8697056404632993,0.8953807141388527,0.8994285861147283
EOS-0-01652,Fc1ccc(Oc2cncc3nnc(-c4ccc5c(c4)OCCO5)n23)c(F)c1,LZHJSGMMVPJMFM-UHFFFAOYSA-N,0,1,0.564,48,254,382.326,3.633,5,0.539,0.83,1.0,0.8910629840312522,0.7943509697758893,0.8764135425947502,0.8485196353916798,0.8525867829483929
EOS-0-01653,CC(C)(c1ccccc1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,SPRDAVQFBSZLOV-UHFFFAOYSA-N,0,1,0.8,79,824,468.988,6.392,5,0.277,0.79,1.0,0.9808357891851142,0.9718319512027962,0.9720118566239463,0.9528990473579604,0.9693946610924542
EOS-0-01654,COc1ccc(CCOc2cncc3nnc(-c4cc(F)ccc4O)n23)cc1,QPICSGFLROBHAW-UHFFFAOYSA-N,0,1,0.63,48,396,380.379,3.266,4,0.553,0.83,1.0,0.8474744705640463,0.6472654375985196,0.787317524501405,0.6666352546090055,0.7371731718182442
EOS-0-01655,FC(F)(F)C#Cc1cccc(-c2nnc3cncc(OCCc4ccccn4)n23)c1,ANTZZRWOBQXINH-UHFFFAOYSA-N,0,1,0.639,48,305,409.371,3.722,4,0.47,0.74,1.0,0.8521520115139469,0.862749297512165,0.9687992598176959,0.9259989034336235,0.9024248680693578
EOS-0-01656,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccccc5)n34)cn2)cc1,DTHBLWJIABQVLT-UHFFFAOYSA-N,0,1,0.742,79,824,393.45,4.475,5,0.426,0.82,1.0,0.9028682064286204,0.7061287780138441,0.5968233842779795,0.6053046398464808,0.7027812521417311
EOS-0-01657,FC(F)Oc1ccc(COc2cncc3nnc(-c4ccc5c(c4)OCO5)n23)nc1,WFJORJCYAIPWEW-UHFFFAOYSA-N,0,1,0.776,90,305,413.34,3.095,5,0.476,0.84,1.0,0.7235796038653964,0.7153981906654787,0.8788979507915838,0.7623449386608183,0.7700551709958194
EOS-0-01658,COc1cc(F)c(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)c(F)c1F,RHHAKVUUISENSV-UHFFFAOYSA-N,0,1,0.595,23,627,436.34,4.117,4,0.336,0.67,1.0,0.964721403604962,0.9566085258035776,0.9817610170653143,0.972662942910013,0.9689384723459666
EOS-0-01659,Cc1noc2ccc(Oc3cncc4nnc(-c5cccc(F)c5F)n34)cc12,GQCKXXLKBNKFQP-UHFFFAOYSA-N,0,1,0.607,13,374,379.326,4.311,5,0.465,0.74,1.0,0.9231461174696731,0.8183469261873758,0.8596652045781646,0.8429939688849291,0.8610380542800357
EOS-0-01660,Clc1cccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccn5)cc4)n23)c1,PRVIDXWGBVKWGK-UHFFFAOYSA-N,0,1,0.659,79,397,457.921,5.04,5,0.325,0.81,1.0,0.9283205400589405,0.927840792269207,0.8082893564526078,0.7816804879720376,0.8615327941881982
EOS-0-01661,Cc1ccc(CCOc2cncc3nnc(-c4ccccc4OC(F)F)n23)nc1,BVHQTNADAXFNTK-UHFFFAOYSA-N,0,1,0.634,48,305,397.385,3.718,4,0.473,0.81,1.0,0.8562641354259475,0.719981495442396,0.7809694332122541,0.6872472757179083,0.7611155849496265
EOS-0-01662,Fc1ccc(Oc2cncc3nnc(-c4c(F)cccc4F)n23)c(F)c1,BKBGUYFIWLPCSX-UHFFFAOYSA-N,0,1,0.528,23,254,360.27,4.14,4,0.515,0.82,1.0,0.8799859502433006,0.9087879514769378,0.9837485436227812,0.9889058323624151,0.9403570694263588
EOS-0-01663,COc1ccc(CCOc2cncc3nnc(-c4cccc(C)c4)n23)cc1,BPIHCXHILRVBIT-UHFFFAOYSA-N,0,1,0.765,48,576,360.417,3.73,4,0.524,0.85,1.0,0.815194297854842,0.4696131176752793,0.6758532657117401,0.5157631416626688,0.6191059557261326
EOS-0-01664,Oc1cc2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c(F)cc2[nH]1,ANHUXHDQWUDDLB-UHFFFAOYSA-N,0,1,0.622,48,231,423.835,4.392,5,0.437,0.59,1.0,0.933023781783291,0.9494894112809266,0.9026026317593037,0.9207987800699061,0.9264786512233568
EOS-0-01665,CCCCOc1ccc(-c2nnc3cncc(OCc4ccccc4)n23)cc1,FOWIISGWGSXICO-UHFFFAOYSA-N,0,1,0.739,48,576,374.444,4.549,4,0.424,0.88,1.0,0.8543365773421973,0.6091940237132479,0.47239736824069634,0.4080340620930711,0.5859905078473031
EOS-0-01666,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cn4)n23)cc1,XETIEOXYQIEPMD-UHFFFAOYSA-N,0,1,0.722,27,444,471.317,4.563,4,0.381,0.75,1.0,0.8799945171681174,0.9240627784250566,0.9987749297512165,0.9931892947707491,0.949005380028785
EOS-0-01667,COc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)c2)nc1,FDBIWFXFSNZTRK-UHFFFAOYSA-N,0,1,0.634,1,709,427.439,4.58,5,0.395,0.85,1.0,0.9217154410252896,0.7986515660338565,0.8639401000616819,0.7978548420259064,0.8455404872866836
EOS-0-01668,Clc1ccc(CCOc2cncc3nnc(-c4cc(Cl)c(Cl)cc4Cl)n23)cc1Cl,SVRSKQCQDDOEEZ-UHFFFAOYSA-N,0,1,0.743,23,627,488.589,6.68,4,0.294,0.79,1.0,0.9727314783085463,0.9831145911863477,0.9913388390103488,0.9990062367212665,0.9865477863066273
EOS-0-01669,Fc1ccc(COc2cncc3nnc(-c4cc(Cl)ccc4OC(F)F)n23)nc1,WLFZASFQRDZTME-UHFFFAOYSA-N,0,1,0.585,90,255,421.766,4.159,4,0.465,0.76,1.0,0.840492426838462,0.9278493591940237,0.9649698444246453,0.9616544445205949,0.9237415187444314
EOS-0-01670,Fc1ccc(Oc2cncc3nnc(-c4c(F)cccc4Cl)n23)c(F)c1,SQGGPNLISZQDMW-UHFFFAOYSA-N,0,1,0.528,23,254,376.725,4.654,4,0.522,0.85,1.0,0.8633147145500651,0.9307963813309574,0.9837571105475978,0.992392570762799,0.9425651942978549
EOS-0-01671,COc1ccc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1,FBPKLMKSINMIQU-UHFFFAOYSA-N,0,1,0.653,15,305,348.366,2.211,4,0.528,0.85,1.0,0.7795901583167706,0.5655883763964088,0.2386916592419985,0.16666095538345554,0.4376327873346583
EOS-0-01672,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4c(F)cccc4F)n23)c1F,WMMSTFWCJGLCLQ-UHFFFAOYSA-N,0,1,0.562,23,627,410.277,4.205,4,0.374,0.68,1.0,0.9501661983414433,0.9412565965321088,0.9952196559522993,0.997447056404633,0.9710223768076212
EOS-0-01673,Cc1ccccc1-c1nnc2cncc(Oc3cccc(F)c3)n12,MXXFPWWUARSQNM-UHFFFAOYSA-N,0,1,0.662,48,254,320.327,4.031,4,0.572,0.92,1.0,0.6839233088890412,0.7564423274621342,0.8196490987595093,0.8332019738194778,0.7733041772325406
EOS-0-01674,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cn1,QMSPVASRYSNAIY-UHFFFAOYSA-N,0,1,0.797,91,322,430.899,4.467,5,0.397,0.81,1.0,0.8206942635871428,0.9019858131725036,0.7893992872318553,0.7770200808717703,0.822274861215818
EOS-0-01675,CC(C)Oc1ccc(F)cc1-c1nnc2cncc(OCc3ccccc3)n12,UZDJDVULWYAULD-UHFFFAOYSA-N,0,1,0.597,48,135,378.407,4.297,4,0.501,0.87,1.0,0.8818792406277842,0.6619662805839216,0.8549962305530807,0.762353505585635,0.7902988143376053
EOS-0-01676,COc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccc5)cc4)n23)cc1,LHZKPCLUJBRTKC-UHFFFAOYSA-N,0,1,0.863,79,824,452.514,5.0,5,0.313,0.88,1.0,0.810114111438558,0.7519789596326503,0.8290641491330272,0.6931241861421424,0.7710703515865944
EOS-0-01677,CC(COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12)c1ccccc1,RVJKPNROIXJLMC-UHFFFAOYSA-N,0,1,0.75,12,650,406.489,5.641,5,0.366,0.82,1.0,0.952342197244877,0.9258446987869234,0.9015489000068535,0.884337948050168,0.9160184360222056
EOS-0-01678,CCOc1cnc(C)c2nnc(-c3ccc(OC(F)(F)F)cc3)n12,QJFCFTVGJFAHMZ-UHFFFAOYSA-N,0,1,0.597,68,305,338.289,3.397,3,0.73,0.95,1.0,0.6688112535124392,0.5516499897196903,0.9330409156329244,0.8332105407442945,0.746678174902337
EOS-0-01679,Fc1ccc(COc2cncc3nnc(-c4ccccc4F)n23)nc1,IUJZXLPBVTWHFL-UHFFFAOYSA-N,0,1,0.616,90,708,339.305,3.044,4,0.572,0.84,1.0,0.6929014460969091,0.7734562401480365,0.8041857994654239,0.8250119936947433,0.7738888698512782
EOS-0-01680,Fc1ccc(-c2ccccn2)cc1-c1nnc2cncc(OCCc3ccccc3Cl)n12,YRBLKGLLEJRIJT-UHFFFAOYSA-N,0,1,0.675,57,732,445.885,5.267,5,0.356,0.83,1.0,0.9163782468645055,0.9425245014049757,0.8909002124597355,0.9142365156603386,0.9160098690973888
EOS-0-01681,CC(=O)Nc1cccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,UPKGFEYXKGFYFH-UHFFFAOYSA-N,0,1,0.732,48,444,411.368,4.143,4,0.513,0.83,1.0,0.7909070659995888,0.5749777259954767,0.8488023439106298,0.6899544239599753,0.7261603899664176
EOS-0-01682,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)n1,TXDQEFHJMCYLMZ-UHFFFAOYSA-N,0,1,0.797,91,309,431.887,3.862,5,0.406,0.77,1.0,0.8152028647796586,0.8653193749571654,0.5344990062367213,0.5455417723254061,0.6901407545747378
EOS-0-01683,Fc1ccccc1-c1nnc2cncc(OCCc3ccc(-c4ccccc4)nc3)n12,GNZFREXORBEBMN-UHFFFAOYSA-N,0,1,0.764,79,824,411.44,4.614,5,0.408,0.79,1.0,0.8101226783633747,0.8738777328490165,0.7510365979028168,0.7722740045233363,0.8018277534096361
EOS-0-01684,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccccc3Cl)n12,NQQASLMHQAATNM-UHFFFAOYSA-N,0,1,0.527,23,254,375.19,5.03,4,0.504,0.86,1.0,0.8382136248372284,0.9240713453498732,0.9682595435542458,0.9869440065793983,0.9293721300801864
EOS-0-01685,CCOc1ccc(-c2nnc3cncc(OCCc4c[nH]c5ccccc45)n23)cc1,OERGQVQAORTNBV-UHFFFAOYSA-N,0,1,0.565,48,576,399.454,4.293,5,0.442,0.85,1.0,0.8697656089370159,0.8223476800767596,0.6534850250154205,0.5778476458090603,0.7308614899595641
EOS-0-01686,Fc1ccccc1COc1cncc2nnc(-c3ccc(F)c(-c4ccncc4)c3)n12,LCGKGUREKNKVLV-UHFFFAOYSA-N,0,1,0.577,57,709,415.403,4.711,5,0.416,0.79,1.0,0.9136625316976218,0.8952607771914194,0.9476046878212597,0.9483500102803097,0.9262195017476527
EOS-0-01687,CC(C)(Oc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1)C(=O)O,TZJRKCSRNPMFPR-UHFFFAOYSA-N,0,1,0.743,48,396,436.443,3.794,4,0.449,0.8,1.0,0.8874905763827017,0.5749862929202934,0.7075337536837777,0.49242683846206564,0.6656093653622096
EOS-0-01688,Fc1ccccc1Oc1cncc2nnc(-c3cccc(Br)c3)n12,NPMCJOGNUUAVEM-UHFFFAOYSA-N,0,1,0.575,48,254,385.196,4.485,4,0.522,0.87,1.0,0.7683160852580357,0.8713676238777328,0.9026111986841203,0.9219039133712562,0.8660497052977862
EOS-0-01689,Clc1ccccc1-c1nnc2cncc(Oc3ccccc3)n12,MCBCVYAIZLVULI-UHFFFAOYSA-N,0,1,0.631,48,254,322.755,4.237,4,0.566,0.95,1.0,0.6354773490507847,0.802994996915907,0.7981375505448565,0.8786837776711671,0.7788234185456788
EOS-0-01690,Fc1cc(OC(F)(F)F)ccc1-c1nnc2cncc(OCC3CCOCC3)n12,KXUBXAOOAGYZTO-UHFFFAOYSA-N,0,1,0.549,68,548,412.343,3.634,4,0.596,0.77,1.0,0.7909156329244055,0.8437478582687958,0.8406637653347955,0.8843465149749846,0.8399184428757455
EOS-0-01691,Fc1ccc(Oc2cncc3nnc(-c4ccc5ncccc5c4)n23)cc1,XSESZSILWKKTJX-UHFFFAOYSA-N,0,1,0.59,13,15,357.348,4.271,5,0.482,0.87,1.0,0.7881742169830718,0.8472088958947296,0.8423171818244123,0.8717274347200329,0.8373569323555616
EOS-0-01692,COc1ccccc1-c1nnc2cncc(OCCc3c(Cl)cccc3Cl)n12,WTIZSUMHRJKXTQ-UHFFFAOYSA-N,0,1,0.75,48,396,415.28,4.728,4,0.456,0.83,1.0,0.7854328010417381,0.7475327256527997,0.8611215817969982,0.8758395586320334,0.8174816667808923
EOS-0-01693,CN(C)CCOc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,FOPUGXHLVCLVFM-UHFFFAOYSA-N,0,1,0.786,48,576,403.486,3.353,4,0.427,0.9,1.0,0.7738588856144198,0.45200808717702695,0.3969398944554863,0.2583784524707011,0.47029632992940856
EOS-0-01694,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)c(F)c2)cn1,QDJOUJBCITXXRD-UHFFFAOYSA-N,0,1,0.688,88,781,483.334,5.259,5,0.33,0.82,1.0,0.9163868137893222,0.9308049482557741,0.9372301418682749,0.9430299499691591,0.9318629634706326
EOS-0-01695,COCOc1ccccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12,LGNZRRVNEUYHFT-UHFFFAOYSA-N,0,1,0.735,48,948,412.396,3.674,4,0.411,0.79,1.0,0.8521605784387636,0.5903724898910288,0.8922195188815023,0.8231187033102597,0.7894678226303886
EOS-0-01696,COc1ccc(-c2cccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)cc1,YAYSANXSUVGNRM-UHFFFAOYSA-N,0,1,0.776,79,528,460.44,5.861,5,0.303,0.85,1.0,0.9604550750462614,0.8795576040024673,0.972020423548763,0.9461911452265095,0.9395560619560002
EOS-0-01697,CSc1cccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)c(C)c4)n23)c1,QYZBEBYKECCQJQ-UHFFFAOYSA-N,0,1,0.592,48,444,432.427,5.513,4,0.388,0.84,1.0,0.929699814954424,0.9240799122746899,0.9891628401069152,0.9605921458433281,0.9508836782948393
EOS-0-01698,CN(C)c1ccc(-c2nnc3cncc(OCC(F)c4ccc(F)cc4)n23)cc1,QTZJSJIYJWQMCP-UHFFFAOYSA-N,0,1,0.724,48,396,395.413,4.086,4,0.492,0.71,1.0,0.7854413679665547,0.790564389006922,0.9512970324172435,0.8636745253923651,0.8477443286957713
EOS-0-01699,FC(F)(F)Oc1ccccc1-c1nnc2cncc(Oc3cccc(C(F)(F)F)c3)n12,VTVNLOKBPLLCGR-UHFFFAOYSA-N,0,1,0.55,48,444,440.303,5.501,4,0.392,0.85,1.0,0.8995356726749366,0.9087965184017545,0.99982009457885,0.9994774175861832,0.951907425810431
EOS-0-01700,Fc1ccc(-c2csc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)cc1,YYGYVUUMGVBZHU-UHFFFAOYSA-N,0,1,0.675,1,640,469.448,5.234,5,0.325,0.83,1.0,0.8963916112672196,0.9494979782057432,0.9155386882324721,0.9017373723528203,0.9157914125145639
EOS-0-01701,O=[N+]([O-])c1cc(Cl)cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,KPNWHPIOWFFTOV-UHFFFAOYSA-N,0,1,0.714,48,906,430.251,4.628,4,0.327,0.81,1.0,0.9484185456788431,0.6813103968199575,0.762276403262285,0.7177283942156124,0.7774334349941745
EOS-0-01702,CCOc1ccccc1-c1nnc2cncc(OCCc3cccc(F)c3)n12,GNJDGFUVUIJTJQ-UHFFFAOYSA-N,0,1,0.833,48,396,378.407,3.951,4,0.487,0.85,1.0,0.6839318758138578,0.537677335343705,0.7207182509766294,0.655172709204304,0.6493750428346241
EOS-0-01703,Cc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(O)c1,FNRNAYSOEVKMOL-UHFFFAOYSA-N,0,1,0.761,48,135,346.39,3.427,4,0.599,0.86,0.999,0.6750222740045233,0.47850558563498047,0.5840415324515112,0.5157717085874854,0.5633352751696251
EOS-0-01704,CS(=O)(=O)c1cccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1,ZZAJKOMPJCTNHI-UHFFFAOYSA-N,0,1,0.833,48,948,430.436,3.095,4,0.467,0.8,1.0,0.6561836063326708,0.595032896991296,0.7873260914262217,0.7795387567678707,0.7045203378795147
EOS-0-01705,Cc1ccc(-c2cccc(Oc3cncc4nnc(-c5ccc(F)cc5)n34)c2)cc1,JHNKAUXWRATBFM-UHFFFAOYSA-N,0,1,0.59,83,528,396.425,5.698,5,0.391,0.88,1.0,0.9373500788157083,0.9398002193132753,0.9379240627784251,0.9371958741690083,0.9380675587691043
EOS-0-01706,C=CC(=O)Nc1cccc(Oc2cncc3nnc(-c4ccc(F)cc4)n23)c1,QZBQAFHWWSEZJV-UHFFFAOYSA-N,0,1,0.568,48,254,375.363,3.847,4,0.536,0.91,1.0,0.8258858200260435,0.6092025906380646,0.5514529504489069,0.4396374477417586,0.6065447022136934
EOS-0-01707,CN(C)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,STMZTGZHFGFKLF-UHFFFAOYSA-N,0,1,0.845,48,396,377.423,3.618,4,0.514,0.83,1.0,0.6533308203687205,0.5376859022685216,0.7671595504077856,0.5716366253169762,0.632453224590501
EOS-0-01708,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)c(F)c2)cn1,OUQYZSYUNWNGLD-UHFFFAOYSA-N,0,1,0.757,91,309,414.444,3.952,5,0.421,0.83,1.0,0.7710403673497361,0.8069272154067576,0.7384603522719485,0.6984699472277431,0.7537244705640463
EOS-0-01709,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCC4CCOCC4)n23)cc1,CXHJLPSLEKCMMT-UHFFFAOYSA-N,0,1,0.696,78,548,394.353,3.495,4,0.66,0.81,1.0,0.6810705229250908,0.6140514700842985,0.7360273456240148,0.797863408950723,0.7072531868960318
EOS-0-01710,Fc1ccc(Oc2cncc3nnc(-c4cc(Cl)cc(Cl)c4)n23)c(F)c1,QGMYZMSMSONHDB-UHFFFAOYSA-N,0,1,0.571,23,254,393.18,5.169,4,0.482,0.83,1.0,0.8356778150914947,0.9383952436433418,0.987415187444315,0.9958536083887328,0.9393354636419711
EOS-0-01711,CC(Oc1cncc2nnc(-c3ccccc3OC(F)(F)F)n12)c1ccccc1,MPNVSLKDFMFPSL-UHFFFAOYSA-N,0,1,0.595,48,135,400.36,4.83,4,0.48,0.77,0.999,0.8258943869508601,0.7647865122335686,0.992212665341649,0.9772633815365637,0.8900392365156604
EOS-0-01712,Cc1[nH]cnc1CCOc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,FJXMGQCZWSZXFU-UHFFFAOYSA-N,0,1,0.64,68,305,404.352,3.343,4,0.53,0.74,1.0,0.7825371804537044,0.7564508943869509,0.8898207799328353,0.777028647796587,0.8014593756425193
EOS-0-01713,Clc1ccc(-c2ccccc2-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,KTEBTDSEOZQKNT-UHFFFAOYSA-N,0,1,0.703,79,497,461.352,6.387,5,0.294,0.78,1.0,0.9591957370982113,0.97511308340758,0.9406997464190254,0.9676512918922624,0.9606649647042698
EOS-0-01714,Fc1ccccc1-c1nnc2cncc(OCc3ccccn3)n12,JZGIAPFTMDIHND-UHFFFAOYSA-N,0,1,0.735,4,708,321.315,2.904,4,0.578,0.87,1.0,0.5756973476800767,0.72444486327188,0.615327941881982,0.6410287163319854,0.6391247172914811
EOS-0-01715,Oc1cc(F)c(-c2nnc3cncc(Oc4ccccc4)n23)cc1O,PQOUMURXAZTNLI-UHFFFAOYSA-N,0,1,0.556,48,254,338.298,3.134,4,0.558,0.78,0.998,0.8405009937632787,0.7385117538208484,0.7786991981358372,0.7417500514015489,0.7748654992803783
EOS-0-01716,CS(=O)(=O)c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1,WBTMKWQWTMMMQB-UHFFFAOYSA-N,0,1,0.566,48,254,435.292,4.294,4,0.475,0.86,1.0,0.7507110547597834,0.8873449386608183,0.819657665684326,0.8829929408539511,0.8351766499897197
EOS-0-01717,CNC(=O)c1cccc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)c1,VMNYVIJJMCGNDY-UHFFFAOYSA-N,0,1,0.575,48,17,393.834,3.383,4,0.562,0.95,1.0,0.7142159550407786,0.5950414639161127,0.6479422246590364,0.5934480159002125,0.637661914879035
EOS-0-01718,CC(C)(C)c1ccc(-c2nnc3cncc(OCc4cccc(O)c4)n23)cc1,LMIYTGUUZHEJID-UHFFFAOYSA-N,0,1,0.587,48,576,374.444,4.373,4,0.574,0.86,1.0,0.9012233568638202,0.38812452881913506,0.8839695702830512,0.6815074360907408,0.7137062230141867
EOS-0-01719,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(Cl)ccc3F)n12,HHTONXBFHUNRCN-UHFFFAOYSA-N,0,1,0.507,23,254,393.18,5.169,4,0.482,0.82,1.0,0.8741090398190665,0.9278579261188403,0.9874237543691317,0.9960677815091494,0.946364625454047
EOS-0-01720,Fc1cc(F)c2c(-c3nnc4cncc(OCCc5ccccc5)n34)cnnc2c1,VIJMAANVHAHOOG-UHFFFAOYSA-N,0,1,0.654,19,135,404.38,3.634,5,0.445,0.66,1.0,0.8024124460283737,0.8261085600712769,0.7411932012884654,0.7978719758755397,0.791896545815914
EOS-0-01721,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1,PBBIEKDKIHVVMO-UHFFFAOYSA-N,0,1,0.65,84,73,418.848,3.246,5,0.451,0.66,1.0,0.8284216297717771,0.8820248783496676,0.4221009526420396,0.4713436364882462,0.6509727743129325
EOS-0-01722,Cn1nnc(-c2ccc(CCOc3cncc4nnc(-c5ccccc5F)n34)cc2)n1,JEWXPHQDKYJHDL-UHFFFAOYSA-N,0,1,0.767,91,309,416.42,2.742,5,0.42,0.71,1.0,0.7881827839078884,0.7385203207456651,0.3150315262833253,0.3379737509423617,0.5449270954698102
EOS-0-01723,Clc1ccc(Oc2cncc3nnc(-c4cccc(Cl)c4Cl)n23)cc1,OGWKDTGTIPQDFK-UHFFFAOYSA-N,0,1,0.638,23,254,391.645,5.544,4,0.46,0.9,1.0,0.7909241998492221,0.8713761908025495,0.9724230690151463,0.9924011376876156,0.9067811493386334
EOS-0-01724,O=C(O)c1ccc(-c2nnc3cncc(Oc4cccc(OC(F)(F)F)c4)n23)cc1,HEVNRNUUXRUWQF-UHFFFAOYSA-N,0,1,0.584,48,444,416.315,4.18,4,0.521,0.88,1.0,0.7909327667740388,0.6667380577068056,0.9762267836337468,0.9142450825851552,0.8370356726749366
EOS-0-01725,Fc1ccccc1-c1cccc(-c2nnc3cncc(OCc4ccccc4)n23)c1,PAMACMQQLAMTGN-UHFFFAOYSA-N,0,1,0.627,79,650,396.425,5.176,5,0.411,0.82,1.0,0.8910715509560688,0.887353505585635,0.9182544033993557,0.9260074703584401,0.9056717325748749
EOS-0-01726,Cc1cc(Br)ccc1-c1nnc2cncc(Oc3cccc(Cl)c3)n12,FMTLAJWDXJSIOM-UHFFFAOYSA-N,0,1,0.662,23,254,415.678,5.308,4,0.455,0.92,1.0,0.7327462134192311,0.8738862997738331,0.9015574669316702,0.9302223973682407,0.8596030943732438
EOS-0-01727,NS(=O)(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,MJBRCHUFTSWPPT-UHFFFAOYSA-N,0,1,0.87,48,231,429.889,2.714,4,0.504,0.85,1.0,0.567515934480159,0.5562075937221574,0.5480690151463231,0.6021605784387636,0.5684882804468508
EOS-0-01728,COC(=O)c1cccc(Oc2cncc3nnc(-c4ccccc4F)n23)c1,DSSZJXYVWYSUNX-UHFFFAOYSA-N,0,1,0.512,48,254,364.336,3.509,4,0.516,0.9,1.0,0.8024210129531903,0.6420824480844356,0.6728205743266397,0.5618617641011583,0.669796449866356
EOS-0-01729,CC(C)(C)c1ccc(-c2nnc3cncc(Oc4ccccc4)n23)cc1,CYGJNWBHYCETJP-UHFFFAOYSA-N,0,1,0.712,48,576,344.418,4.881,4,0.531,0.91,1.0,0.8405095606880953,0.39746247686930297,0.8764221095195669,0.7067541635254609,0.7052870776506065
EOS-0-01730,NS(=O)(=O)c1ccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c(F)c1,AEKUDNZMQFQVGV-UHFFFAOYSA-N,0,1,0.57,48,444,469.376,3.269,4,0.445,0.8,1.0,0.6899801247344254,0.8738948666986499,0.9682681104790625,0.940579809471592,0.8681807278459325
EOS-0-01731,O=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)cc2)c2ccccc12,SILPPAFQOYVSDF-UHFFFAOYSA-N,0,1,0.647,79,650,478.487,4.455,6,0.38,0.81,1.0,0.9044445205948872,0.8564868754711809,0.7554485641834007,0.7795473236926873,0.8239818209855391
EOS-0-01732,CCOc1ccc(C(F)(F)F)cc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,CXUVUZTTXXLLME-UHFFFAOYSA-N,0,1,0.671,48,240,462.859,5.484,4,0.364,0.8,1.0,0.9090877938455212,0.8627578644369817,0.9907905558220821,0.976869302994997,0.9348763792748954
EOS-0-01733,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)cc2)cn1,HOKXSNVBCLDOGI-UHFFFAOYSA-N,0,1,0.625,91,883,492.366,5.79,5,0.286,0.79,1.0,0.9585189500376945,0.94950654513056,0.9088393530258378,0.8953892810636694,0.9280635323144405
EOS-0-01734,c1ccc(Oc2cncc3nnc(-c4ccccc4)n23)cc1,BLXOWNWIOWEWCT-UHFFFAOYSA-N,0,1,0.754,48,135,288.31,3.584,4,0.578,0.9,1.0,0.6354859159756014,0.4346086628743746,0.5968319512027962,0.6467771228839696,0.5784259132341855
EOS-0-01735,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cn1,BTAMBVXDPGSYMW-UHFFFAOYSA-N,0,1,0.785,91,322,396.454,3.813,5,0.436,0.81,1.0,0.7993711877184566,0.5610393393187582,0.6031629086423137,0.5425604824892056,0.6265334795421835
EOS-0-01736,CS(=O)(=O)c1ccc(-c2nnc3cncc(Oc4ccccc4)n23)cc1,CPRAJHMBRAMXGY-UHFFFAOYSA-N,0,1,0.688,48,576,366.402,2.987,4,0.552,0.92,1.0,0.6657871290521554,0.4917500514015489,0.46911623603591257,0.4620142553628949,0.522166917963128
EOS-0-01737,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4-c4ccccc4)n23)cn1,NBOIGNPAEJMIDS-UHFFFAOYSA-N,0,1,0.6,79,650,411.44,4.614,5,0.382,0.74,1.0,0.8995442395997533,0.8333561784661778,0.7694383524090193,0.7840792269207045,0.8216044993489138
EOS-0-01738,FC(F)Oc1ccc(-c2nnc3cncc(OC4CCOCC4)n23)cc1,AGPGQQYNCLEMPA-UHFFFAOYSA-N,0,1,0.714,63,548,362.336,2.951,4,0.695,0.84,1.0,0.6159104927695155,0.4299225549996573,0.5209289973271195,0.6467856898087863,0.5533869337262696
EOS-0-01739,FC(F)(F)COc1ccc(Cl)cc1-c1nnc2cncc(OCCc3cccc(Cl)c3)n12,HUZQYTUNWSHZAN-UHFFFAOYSA-N,0,1,0.642,48,240,483.277,5.661,4,0.34,0.81,1.0,0.9244825577410732,0.8739034336234666,0.9913474059351655,0.9891371393324652,0.9447176341580426
EOS-0-01740,COc1ccccc1-c1nnc2cncc(Oc3ccc(F)cc3F)n12,WQBBODOOXPPLMS-UHFFFAOYSA-N,0,1,0.535,13,254,354.316,3.87,4,0.557,0.84,1.0,0.7446542389143993,0.6569888972654376,0.909815982454938,0.8745802206839832,0.7965098348296895
EOS-0-01741,FC(F)(F)Oc1ccc(CCOc2cncc3nnc(-c4ccccc4OC(F)(F)F)n23)cc1,CNMWGIKWSWAUNX-UHFFFAOYSA-N,0,1,0.764,48,40,484.356,5.21,4,0.336,0.83,1.0,0.885622986772668,0.8183554931121925,0.9989805359468166,0.9953395928997327,0.9245746521828525
EOS-0-01742,Clc1cccc(CCOc2cncc3nnc(-c4cccc(Nc5ccccc5)c4)n23)c1,SFVJNNBSIMFXMC-UHFFFAOYSA-N,0,1,0.714,79,824,441.922,5.81,5,0.345,0.83,1.0,0.9059608662874374,0.8873620725104516,0.827110890274827,0.8291412514563772,0.8623937701322733
EOS-0-01743,Cc1ccc(-c2nnc3cncc(Oc4ccc(S(C)(=O)=O)cc4)n23)cc1,XUJVXTFRWXLFBD-UHFFFAOYSA-N,0,1,0.629,48,576,380.429,3.296,4,0.54,0.89,1.0,0.6839404427386745,0.6043794119662805,0.5446850798437393,0.4833887327804811,0.5790984168322939
EOS-0-01744,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2)nn1,RFAXLFAFYZWYCD-UHFFFAOYSA-N,0,1,0.679,91,309,415.432,3.347,5,0.423,0.8,1.0,0.7507196216846,0.7339198821191145,0.5714053183469262,0.5520098005619902,0.6520136556781577
EOS-0-01745,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(OC)c1,QZQFMDVXQFDZSZ-UHFFFAOYSA-N,0,1,0.743,48,396,410.861,4.083,4,0.457,0.85,1.0,0.7507281886094168,0.5516585566445069,0.7934685765197724,0.6695822767459393,0.6913593996299088
EOS-0-01746,c1ccc(CCOc2cncc3nnc(-c4cccc(OCc5ccccc5)c4)n23)cc1,NTZZMOMASOZJTB-UHFFFAOYSA-N,0,1,0.761,79,824,422.488,4.992,5,0.352,0.84,1.0,0.8049225549996574,0.7012970324172435,0.7833082036872044,0.7366698649852649,0.7565494140223425
EOS-0-01747,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-n4nccn4)cc3)n12,VUAPIMCYICJHBI-UHFFFAOYSA-N,0,1,0.75,91,309,401.405,3.133,5,0.435,0.78,1.0,0.762584812555685,0.5997104379411966,0.5578781440614077,0.5425690494140224,0.615685610993078
EOS-0-01748,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)cc1,HAWBUSXRRDNGHF-UHFFFAOYSA-N,0,1,0.59,4,708,366.312,2.813,4,0.395,0.86,1.0,0.8586286066753478,0.5193012816119525,0.4929665547255157,0.2644181344664519,0.533828644369817
EOS-0-01749,COc1ccc(CCOc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cc1,PTNAYKAPQPGGRD-UHFFFAOYSA-N,0,1,0.765,48,576,389.415,2.52,4,0.521,0.87,1.0,0.7881913508327051,0.17342882598862314,0.48641285724076483,0.27032074566513603,0.42958844493180726
EOS-0-01750,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)cc1,BYLHJHYAAPJMOZ-UHFFFAOYSA-N,0,1,0.753,91,322,450.424,4.811,5,0.356,0.75,1.0,0.7938369542868892,0.8899749845795353,0.9407083133438421,0.912189020629155,0.8841773182098553
EOS-0-01751,Oc1ccccc1-c1nnc2cncc(OCCc3ccccc3)n12,SPSMGNMDSKHBEA-UHFFFAOYSA-N,0,1,0.766,48,135,332.363,3.118,4,0.608,0.9,1.0,0.5843413748200946,0.392613597423069,0.5209375642519362,0.5056541703790007,0.5008866767185252
EOS-0-01752,CS(=O)(=O)c1cccc(COc2cncc3nnc(-c4ccccc4)n23)c1,OLHRMIDCMAFQEG-UHFFFAOYSA-N,0,1,0.657,48,135,380.429,2.774,4,0.529,0.91,1.0,0.6657956959769721,0.4917586183263656,0.4653553560413954,0.4462682475498595,0.5172944794736481
EOS-0-01753,COc1cccc(-c2nnc3cncc(Oc4ccccc4Br)n23)c1,MJSVTVOYVGKHOM-UHFFFAOYSA-N,0,1,0.558,48,254,397.232,4.355,4,0.512,0.82,1.0,0.6780892330888905,0.7290538688232472,0.7894078541566719,0.7177369611404291,0.7285719793023097
EOS-0-01754,Fc1cccc(CCOc2cncc3nnc(-c4ccc(COCc5ccncc5)cc4)n23)c1,WGESAOZDMYVEKV-UHFFFAOYSA-N,0,1,0.688,91,397,455.493,4.664,5,0.322,0.79,1.0,0.8741176067438832,0.8739120005482832,0.8802258241381674,0.8332191076691111,0.8653686347748613
EOS-0-01755,COc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)cn5)c4)n23)cc1OC,LLFHSAJXESYXCO-UHFFFAOYSA-N,0,1,0.553,1,709,457.465,4.589,5,0.353,0.72,1.0,0.9516225755602769,0.7734648070728531,0.8439363306147625,0.6815160030155575,0.8126349290658624
EOS-0-01756,CN(C)c1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cc1,DBYPCKNERXXGRJ-UHFFFAOYSA-N,0,1,0.823,48,576,359.433,3.479,4,0.528,0.89,1.0,0.6046107189363306,0.3641714070317319,0.5646117469673086,0.3316684942772942,0.46626559180316635
EOS-0-01757,COc1cccc(-c2nnc3cncc(Oc4ccccc4)n23)c1,JLUGYVNUULJUTQ-UHFFFAOYSA-N,0,1,0.703,48,254,318.336,3.592,4,0.575,0.86,1.0,0.6213076554040162,0.38343842094441777,0.662317524501405,0.577856212733877,0.561229953395929
EOS-0-01758,CC(C)(Oc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)cc1F)C(=O)O,WFYJWTOBWFFEDZ-UHFFFAOYSA-N,0,1,0.596,48,40,520.439,4.693,4,0.317,0.75,1.0,0.926966965937907,0.7385288876704817,0.9705897471043794,0.8745887876088,0.877668597080392
EOS-0-01759,c1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccn5)cc4)n23)cc1,UQMNPWOLVRIHFS-UHFFFAOYSA-N,0,1,0.753,79,824,423.476,4.387,5,0.369,0.77,1.0,0.759337948050168,0.6278185182646837,0.6566205194983209,0.5716451922417929,0.6538555445137414
EOS-0-01760,Cc1nc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)no1,XNYUYVFLRCPOFS-UHFFFAOYSA-N,0,1,0.616,68,305,392.297,2.96,4,0.511,0.77,1.0,0.6990353642656432,0.6619748475087383,0.8061390583236242,0.6666438215338222,0.7084482729079569
EOS-0-01761,Fc1cc(CCOc2cncc3nnc(-c4ccc(-n5cccn5)cc4)n23)ccc1Cl,UARTYDLHXYHDIX-UHFFFAOYSA-N,0,1,0.767,91,781,434.862,4.391,5,0.396,0.76,1.0,0.6960198067301762,0.7647950791583853,0.8654478788294154,0.8653022411075321,0.7978912514563772
EOS-0-01762,Cc1cnc(N2CC(Oc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)C2)nc1,YHGPUQQOHXKWID-UHFFFAOYSA-N,0,1,0.59,68,305,443.389,3.056,5,0.465,0.75,1.0,0.8178671783976423,0.7061373449386609,0.5646203138921253,0.5189243369200192,0.651887293537112
EOS-0-01763,Fc1ccc(-c2nnc3cncc(Oc4cccc(Oc5ccccc5)c4)n23)c(F)c1,WBRZFEIZCXQAEO-UHFFFAOYSA-N,0,1,0.538,79,590,416.387,5.654,5,0.37,0.83,1.0,0.8761137002261669,0.9043845521211706,0.9465595229936262,0.947673223219793,0.9186827496401891
EOS-0-01764,FC(F)(F)Oc1ccccc1-c1ccccc1-c1nnc2cncc(OCCc3ccccc3)n12,QSVYDNQYOPDRSB-UHFFFAOYSA-N,0,1,0.692,79,824,476.458,5.978,5,0.289,0.8,1.0,0.9363648824617915,0.8928020697690358,0.9799790967034473,0.962322664656295,0.9428671783976423
EOS-0-01765,c1ccc(COc2ccc(-c3nnc4cncc(Oc5ccccc5)n34)cc2)cc1,OPDAPIGOPMQQTR-UHFFFAOYSA-N,0,1,0.727,17,590,394.434,5.163,5,0.398,0.87,1.0,0.8233157425810431,0.5950500308409293,0.832550887533411,0.7956788431224727,0.7616488760194641
EOS-0-01766,c1ccc(CCOc2cncc3nnc(-c4ccc(-n5ccnc5)cc4)n23)cc1,FZZADOJFNCDUTF-UHFFFAOYSA-N,0,1,0.739,91,309,382.427,3.599,5,0.449,0.84,1.0,0.7710489342745528,0.39262216434788566,0.5935765197724625,0.5554879720375574,0.5781838976081146
EOS-0-01767,FC(F)Oc1ccc(-c2nnc3cncc(OCc4coc(-c5ccccn5)n4)n23)cc1,LMRSHPLUCIVIQW-UHFFFAOYSA-N,0,1,0.773,1,996,436.378,4.022,5,0.377,0.79,1.0,0.6594818723870879,0.7290624357480638,0.7337314097731479,0.652388458638887,0.6936660441367967
EOS-0-01768,Cc1cc2cc(Oc3cncc4nnc(-c5cccc(C#N)c5)n34)ccc2[nH]1,NBHHCPXUUIVVAP-UHFFFAOYSA-N,0,1,0.461,1,374,366.384,4.245,5,0.515,0.79,1.0,0.8610444794736481,0.7385374545952985,0.8565468439448976,0.8430025358097457,0.8247828284558975
EOS-0-01769,Fc1ccc(OCc2ccccc2)c(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,JUVNBZZOSJJFFC-UHFFFAOYSA-N,0,1,0.671,79,397,474.923,5.784,5,0.285,0.85,1.0,0.9044530875197039,0.8472174628195462,0.932227057775341,0.9311904598725241,0.9037720169967788
EOS-0-01770,COc1ccccc1CCOc1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)n12,KAUBVVOQDGBXDP-UHFFFAOYSA-N,0,1,0.712,17,590,438.487,5.214,5,0.331,0.83,1.0,0.9012319237886368,0.5376944691933384,0.7598947981632513,0.6436758961003358,0.7106242718113905
EOS-0-01771,O=C(Nc1ccccc1Cl)c1cccc(Oc2cncc3nnc(-c4ccc(F)cc4)n23)c1,KOKNCDRQNJSOGA-UHFFFAOYSA-N,0,1,0.541,79,480,459.868,5.628,5,0.368,0.87,1.0,0.9028767733534371,0.8768418888355836,0.8909087793845522,0.8872164347885683,0.8894609690905353
EOS-0-01772,CCOc1ccc(-c2cccc(Oc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)c2)cc1,UHDFQXFOHVMZBZ-UHFFFAOYSA-N,0,1,0.635,79,528,492.457,6.548,5,0.257,0.85,1.0,0.9665461585909122,0.9566170927283942,0.9897453909944486,0.9706582825029128,0.9708917312041669
EOS-0-01773,Fc1cccc(-c2nnc3cncc(OCC45CCCCC4CO5)n23)c1,KOIZCGVNVAGILO-UHFFFAOYSA-N,0,1,0.62,78,548,354.385,3.268,5,0.72,0.52,1.0,0.7881999177575217,0.7820231649647043,0.10221197998766363,0.5387653347954219,0.5528000993763278
EOS-0-01774,COc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c(OC)c1,WTXMHQFOHCFAPQ-UHFFFAOYSA-N,0,1,0.697,48,396,410.861,4.083,4,0.457,0.88,1.0,0.6990439311904598,0.5284935919402372,0.7809780001370707,0.6609468165307382,0.6673655849496265
EOS-0-01775,Oc1cc(O)cc(-c2nnc3cncc(Oc4ccccc4F)n23)c1,XEABNHRIKIEAKT-UHFFFAOYSA-N,0,1,0.506,48,254,338.298,3.134,4,0.596,0.79,1.0,0.7266122952504969,0.7385460215201152,0.8179357137961757,0.7933914741964224,0.7691213761908026
EOS-0-01776,COc1cccc(CCOc2cncc3nnc(-c4ccc(O)c(OC)c4)n23)c1,BLBYJVAEGKQEJL-UHFFFAOYSA-N,0,1,0.712,48,396,392.415,3.136,4,0.517,0.78,0.998,0.7206325817284628,0.3834469878692345,0.6452265094921527,0.380003084092934,0.532327290795696
EOS-0-01777,CCOC(=O)c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)o1,YORZPBWRKYGPHW-UHFFFAOYSA-N,0,1,0.671,91,781,490.466,5.128,5,0.279,0.8,1.0,0.917757521759989,0.7061459118634775,0.8004506202453567,0.6957370982112261,0.7800227880200123
EOS-0-01778,Oc1ccccc1Oc1cncc2nnc(-c3ccccc3)n12,INCYTPCMDWHCEN-UHFFFAOYSA-N,0,1,0.574,48,135,304.309,3.289,4,0.629,0.9,1.0,0.6385443081351518,0.4070659995887876,0.5935850866972792,0.5685011308340758,0.5519241313138236
EOS-0-01779,CC(C)(OCc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1)c1ccccc1,CRAMJXHSNJYMON-UHFFFAOYSA-N,0,1,0.739,79,824,464.569,5.865,5,0.273,0.74,0.999,0.9516311424850935,0.7943595367007059,0.9322356247001576,0.8520749091905969,0.8825753032691386
EOS-0-01780,Fc1cc(Oc2ccccc2)ccc1-c1nnc2cncc(OCc3ccccn3)n12,LWSZCBDNEUTZPZ-UHFFFAOYSA-N,0,1,0.633,79,881,413.412,4.697,5,0.402,0.74,0.999,0.744662805839216,0.8261171269960935,0.7915581522856555,0.7674251250771024,0.7824408025495168
EOS-0-01781,FC(F)(F)Oc1ccc(-c2cnco2)cc1-c1nnc2cncc(OCc3ccccc3)n12,SBCOKUGRYAZICL-UHFFFAOYSA-N,0,1,0.608,1,713,453.38,4.924,5,0.36,0.73,1.0,0.8653450757316153,0.7339284490439312,0.9753015557535467,0.939680282365842,0.8785638407237337
EOS-0-01782,O=C(O)c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1F,BSQVLHCHTPNDDV-UHFFFAOYSA-N,0,1,0.512,23,254,386.289,3.699,4,0.575,0.88,1.0,0.7477554656980331,0.47394798163251317,0.9386779521622918,0.9110239188540882,0.7678513295867315
EOS-0-01783,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-n5cnnn5)c(F)c4)n23)cc1,WWOQVBOBDVXMEO-UHFFFAOYSA-N,0,1,0.692,91,231,420.383,2.667,5,0.417,0.72,1.0,0.687024535672675,0.6278270851895004,0.6593962031389212,0.6815245699403742,0.6639430984853678
EOS-0-01784,COc1ccc(-c2nc3cc(-c4nnc5cncc(OCCc6ccccc6)n45)ccc3o2)cc1,IRLDGLOHGMXSNU-UHFFFAOYSA-N,0,1,0.709,79,824,463.497,5.23,6,0.32,0.85,1.0,0.8837810979370845,0.5469724487697896,0.6594047700637379,0.561870331025975,0.6630071619491468
EOS-0-01785,O=C(Nc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1)c1ccc(F)cc1,VNVFVJWLNOZEDB-UHFFFAOYSA-N,0,1,0.753,79,397,487.922,5.458,5,0.33,0.86,1.0,0.8676067438832157,0.5421064354739222,0.877578644369817,0.855296072921664,0.7856469741621547
EOS-0-01786,COc1cc(F)c(F)cc1-c1nnc2cncc(Oc3ccc(S(C)(=O)=O)cc3)n12,YOLSJKHPQOXRAG-UHFFFAOYSA-N,0,1,0.519,48,254,432.408,3.274,4,0.478,0.75,1.0,0.7795987252415872,0.6231752450140498,0.8125813857857583,0.7310670961551642,0.7366056130491399
EOS-0-01787,Cn1nccc1COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,JRLLUQHQEPSJAW-UHFFFAOYSA-N,0,1,0.634,68,305,390.325,3.002,4,0.521,0.77,1.0,0.5902268521691454,0.6375162771571516,0.9386865190871085,0.8430111027345624,0.752360187786992
EOS-0-01788,Cc1cccc(-c2nnc3cncc(Oc4ccccc4)n23)c1,VVHPDUUUIBGKJJ-UHFFFAOYSA-N,0,1,0.662,48,135,302.337,3.892,4,0.576,0.86,1.0,0.5960266602700295,0.3692001918991159,0.6566290864231376,0.6523970255637036,0.5685632410389967
EOS-0-01789,COc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)cc1OC,MLIAZKATUSIYAZ-UHFFFAOYSA-N,0,1,0.588,91,955,489.482,4.77,5,0.29,0.71,1.0,0.9150932081420053,0.8713847577273662,0.9003580974573367,0.7862723596737715,0.86827710575012
EOS-0-01790,Fc1cc(OC(F)F)cc(-c2nnc3cncc(OCCc4ccc(-c5ccc(C(F)(F)F)cc5)cn4)n23)c1,NDFIVMARUDUFAQ-UHFFFAOYSA-N,0,1,0.6,1,640,545.443,6.234,5,0.215,0.66,1.0,0.9647299705297786,0.9811184977040641,0.9970786786375163,0.9945257350421493,0.984363220478377
EOS-0-01791,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-n5nnnc5C(F)(F)F)cc4)n23)cc1F,QIBHCWPWDDLTHR-UHFFFAOYSA-N,0,1,0.704,91,781,488.38,3.686,5,0.337,0.7,1.0,0.7477640326228497,0.7820317318895209,0.9155472551572887,0.8636830923171819,0.8272565279967103
EOS-0-01792,Cc1c(Cl)cccc1-c1nnc2cncc(Oc3ccc(S(C)(=O)=O)cc3)n12,RBQAXIHYGJYHFG-UHFFFAOYSA-N,0,1,0.525,48,254,414.874,3.949,4,0.502,0.89,1.0,0.6502038928106367,0.6813189637447742,0.6728291412514564,0.6957456651360427,0.6750244157357275
EOS-0-01793,O=[N+]([O-])c1ccc(-c2nnc3cncc(Oc4ccccc4)n23)cc1,RINVJEUPDSPIEW-UHFFFAOYSA-N,0,1,0.652,48,254,333.307,3.492,4,0.419,0.86,1.0,0.7768230416009869,0.2544719347543006,0.4618943184154616,0.2523387704749503,0.4363820163114248
EOS-0-01794,CC(Oc1cncc2nnc(-c3cccc(-c4ccccc4F)c3)n12)c1ccccc1,DIYOJQBOGVZFFE-UHFFFAOYSA-N,0,1,0.56,79,650,410.452,5.737,5,0.371,0.78,1.0,0.8356863820163114,0.895269344116236,0.9585874854362278,0.952907614282777,0.9106127064628882
EOS-0-01795,COc1ccccc1-c1nnc2cncc(Oc3ccc(Cl)cc3O)n12,ZMAFFKGIJHTIAT-UHFFFAOYSA-N,0,1,0.514,48,254,368.78,3.951,4,0.587,0.86,1.0,0.6413542594750189,0.5700860119251594,0.7873346583510383,0.7338342128709479,0.6831522856555412
EOS-0-01796,Cc1cc(N)cc(-c2nnc3cncc(OCc4ccccc4)n23)c1,RWLSUWQQAMIAOR-UHFFFAOYSA-N,0,1,0.625,48,135,331.379,3.261,4,0.581,0.84,1.0,0.6159190596943321,0.37391200054828316,0.587168460009595,0.5290161743540539,0.5265039236515661
EOS-0-01797,OCCc1csc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c1,FFMRWTZITOLCBS-UHFFFAOYSA-N,0,1,0.699,79,824,442.544,4.676,5,0.378,0.64,1.0,0.8233243095058598,0.760391679802618,0.6728377081762731,0.6260965663765334,0.7206625659653212
EOS-0-01798,O=C(NC1COC1)c1cccc(Oc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,AFHHDEDJHDETDF-UHFFFAOYSA-N,0,1,0.484,48,254,423.379,2.99,5,0.531,0.82,1.0,0.7082448084435611,0.6140600370091152,0.7075423206085943,0.6754249194709068,0.6763180213830444
EOS-0-01799,CS(=O)(=O)Nc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,NRGVQDAGWQUPRR-UHFFFAOYSA-N,0,1,0.786,48,231,427.461,2.923,4,0.487,0.85,1.0,0.5616904256048249,0.30585634980467413,0.43312658488109107,0.36713556301829897,0.4169522308272222
EOS-0-01800,CS(=O)(=O)c1ccc(Oc2cncc3nnc(-c4cccc(C#N)c4)n23)cc1,RODMTEMUQURZNJ-UHFFFAOYSA-N,0,1,0.573,48,576,391.412,2.859,4,0.526,0.89,1.0,0.6046192858611473,0.57499485984511,0.6623260914262217,0.6350661366595847,0.6192515934480158
EOS-0-01801,COc1ccc(-c2nnc3cncc(OCc4ccc(C)cn4)n23)cc1,LHMASUBGSCURTG-UHFFFAOYSA-N,0,1,0.671,89,305,347.378,3.082,4,0.552,0.87,1.0,0.5512987458022068,0.31614522650949217,0.5242700980056199,0.3411520800493455,0.4332165375916661
EOS-0-01802,O=C(Nc1cccc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1)c1cccc(Br)c1,CYFFIQPVAVQIQO-UHFFFAOYSA-N,0,1,0.591,79,590,570.325,6.497,5,0.251,0.82,1.0,0.9410424234116921,0.9440408470975259,0.979704955109314,0.9476817901446097,0.9531175039407853
EOS-0-01803,FC(F)(F)c1cnn(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c1,YNHLABPKLWAHAX-UHFFFAOYSA-N,0,1,0.708,91,138,450.424,4.617,5,0.378,0.79,1.0,0.6658042629017887,0.6667466246316223,0.9671115756288123,0.9270098005619902,0.8066680659310534
EOS-0-01804,COc1ccc(-c2nnc3cncc(Oc4cccc(NC(=O)c5ccc(OC(F)(F)F)cc5)c4)n23)cc1,NMTTWUFVAIKAKN-UHFFFAOYSA-N,0,1,0.553,79,590,521.455,5.743,5,0.291,0.85,1.0,0.9059694332122541,0.8333647453909945,0.9709067233225961,0.8898379137824687,0.9000197039270784
EOS-0-01805,CC(C)(C)C(=O)Nc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,JSMIUYOZTGAMCI-UHFFFAOYSA-N,0,1,0.775,48,378,449.942,5.051,4,0.445,0.86,1.0,0.7446713727640326,0.33027208553217735,0.5034867384003838,0.3539253649509972,0.4830888904118978
EOS-0-01807,Cc1cccnc1COc1cncc2nnc(-c3ccccc3)n12,CLOJTDHUYPAOLN-UHFFFAOYSA-N,0,1,0.63,48,135,317.352,3.074,4,0.579,0.87,1.0,0.5560876567747242,0.40239702556370366,0.3483311630457131,0.3220050030840929,0.40720521211705846
EOS-0-01808,CCS(=O)(=O)c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c1,BGYXTEWOQFOPAN-UHFFFAOYSA-N,0,1,0.795,48,948,477.373,4.513,4,0.389,0.8,1.0,0.5357069426358714,0.6189431841546159,0.6212219861558494,0.764932149955452,0.6352010657254472
EOS-0-01809,CC(=O)Nc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1,KIGDGFJXLZAAHG-UHFFFAOYSA-N,0,1,0.829,48,101,409.396,3.649,4,0.526,0.88,1.0,0.7507367555342335,0.005859776574600782,0.7787077650606539,0.6467942567336029,0.5455246384757728
EOS-0-01810,CCOC(=O)c1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,BGYFKXHKWRNHJK-UHFFFAOYSA-N,0,1,0.739,48,576,388.427,3.59,4,0.45,0.89,1.0,0.6354944829004181,0.3058649167294908,0.39694846138030293,0.2730364608320197,0.4028360804605579
EOS-0-01811,Oc1ccccc1-c1nnc2cncc(OCc3ccc(Oc4ccccc4)c(F)c3)n12,WPLKQBWCBDNPDX-UHFFFAOYSA-N,0,1,0.512,79,590,428.423,5.007,5,0.41,0.83,1.0,0.8307518333219107,0.7107463504900281,0.8875676787060517,0.8485282023164965,0.8193985162086217
EOS-0-01812,Cc1ncn(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)n1,XQGJHCFSVABDCF-UHFFFAOYSA-N,0,1,0.707,43,96,419.395,3.538,5,0.433,0.72,1.0,0.6324446576656844,0.5239445548625865,0.7762918922623535,0.7229542183537797,0.663908830786101
EOS-0-01813,c1ccc(-c2nnc3cncc(OCc4ccccn4)n23)cc1,GAPSGQKSNDICOE-UHFFFAOYSA-N,0,1,0.785,4,135,303.325,2.765,4,0.58,0.87,1.0,0.4372729764923583,0.4209615516414228,0.3895123706394353,0.39252792817490234,0.41006870673702966
EOS-0-01814,CCN(CC)CCOc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,SVFOZMFMPKTJTF-UHFFFAOYSA-N,0,1,0.743,48,378,449.53,4.273,4,0.341,0.88,1.0,0.6159276266191488,0.6667551915564389,0.38584572681790147,0.34116064697416215,0.5024222979919128
EOS-0-01815,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-n5cccc5)cc4F)n23)c1,FGFYBIPKQPHCGT-UHFFFAOYSA-N,0,1,0.671,91,660,417.419,4.482,5,0.409,0.75,1.0,0.6533393872935371,0.627835652114317,0.9047957645123706,0.9074258104310876,0.7733491535878281
EOS-0-01816,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1ccc(-c2ccccc2)s1,FIWYOPFFMABGBL-UHFFFAOYSA-N,0,1,0.737,12,47,492.579,6.947,6,0.242,0.71,1.0,0.9720032896991296,0.9462425467754095,0.8802343910629841,0.8843550818998013,0.9207088273593311
EOS-0-01817,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cn1,PCZFPVJMESHJAZ-UHFFFAOYSA-N,0,1,0.753,91,322,444.926,4.95,5,0.355,0.79,1.0,0.6016037283256802,0.777568364060037,0.7050750462613941,0.6957542320608594,0.6950003426769927
EOS-0-01818,O=S(=O)(c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1)N1CCOCC1,JSBBHHNIGIMBBF-UHFFFAOYSA-N,0,1,0.725,0,576,499.98,3.087,5,0.385,0.9,1.0,0.5784901651703105,0.43890925913234186,0.030052772256870672,0.22010143238982935,0.3168884072373381
EOS-0-01819,COc1ccc(Oc2cncc3nnc(-c4ccccc4)n23)cc1OC,VHGXTALEWKWBHL-UHFFFAOYSA-N,0,1,0.636,48,254,348.362,3.601,4,0.549,0.82,1.0,0.6213162223288329,0.2495459529847166,0.6534935919402372,0.42114145706257283,0.4863743060790899
EOS-0-01820,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-n5cnnn5)c(OC(F)(F)F)c4)n23)cc1,LXALOWRLMUALCV-UHFFFAOYSA-N,0,1,0.635,48,240,486.389,3.426,5,0.322,0.74,1.0,0.6870331025974916,0.7475412925776164,0.9414193681036255,0.8939157699952025,0.817477383318484
EOS-0-01821,O=C(Nc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1)c1ccccc1F,QMNWAXZZVZQOEA-UHFFFAOYSA-N,0,1,0.705,79,397,471.467,4.943,5,0.364,0.85,1.0,0.8127784250565417,0.32577445000342675,0.8625865259406483,0.8192207525186759,0.7050900383798232
EOS-0-01822,COc1cccc(COc2cncc3nnc(-c4ccc(O)cc4)n23)n1,DFVIUHPHIVJLAF-UHFFFAOYSA-N,0,1,0.543,4,506,349.35,2.48,4,0.591,0.77,1.0,0.5757059146048934,0.3974710437941197,0.3969570283051196,0.24362620793639916,0.40344004866013294
EOS-0-01823,O=C(CO)Nc1cccc(-c2nnc3cncc(OCC(F)(F)c4ccc(F)cc4)n23)c1,JJEJOKOTEKGGIB-UHFFFAOYSA-N,0,1,0.637,48,231,443.385,3.032,4,0.455,0.86,1.0,0.6473511068466863,0.3595024330066479,0.952599204989377,0.8859142622164348,0.7113417517647865
EOS-0-01824,CC(=O)Oc1cc(Cl)nc2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc12,PVMCQLHUPVJLNJ-UHFFFAOYSA-N,0,1,0.576,91,396,494.338,5.193,5,0.237,0.79,1.0,0.8676153108080323,0.7775769309848537,0.7671681173326023,0.757144815297101,0.7923762936056473
EOS-0-01825,CS(=O)(=O)Nc1cc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)ccc1F,JYXZOWAHCNHOKT-UHFFFAOYSA-N,0,1,0.614,48,40,511.457,3.822,4,0.359,0.81,1.0,0.6688198204372559,0.542115002398739,0.9282691385100404,0.8450757316153793,0.7460699232403537
EOS-0-01826,c1ccc(CCOc2cncc3nnc(-c4ccccc4CCc4ccccc4)n23)cc1,QEOPNNXOQBNBDP-UHFFFAOYSA-N,0,1,0.766,79,824,420.516,5.198,5,0.346,0.85,1.0,0.7111746967308615,0.5285021588650538,0.6920790213145089,0.689962990884792,0.655429716948804
EOS-0-01828,CN(C)C(=O)Nc1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1,VLVVMJPGLSOJQT-UHFFFAOYSA-N,0,1,0.722,48,576,420.448,3.645,4,0.515,0.82,1.0,0.604627852785964,0.16499040504420534,0.3369371530395449,0.18053080666164073,0.3217715543828387
EOS-0-01829,COc1cccc(C(=O)Nc2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2)c1,DJPNYZYQRJSDMM-UHFFFAOYSA-N,0,1,0.5,79,590,473.439,5.123,5,0.368,0.88,1.0,0.7938455212117058,0.5855493112192447,0.8932989514084024,0.7908727983003221,0.7658916455349187
EOS-0-01830,FC(F)Oc1ccc(-c2nnc3cnc4ccccc4n23)cc1,SRGFCTJPBWFBAB-UHFFFAOYSA-N,0,0,0.556,48,444,312.279,3.546,4,0.58,0.95,1.0,0.47784593242409706,0.5013535741210335,0.9440665478719759,0.946927900760743,0.7175484887944623
EOS-0-01831,CC(=O)Nc1ccc(-c2nnc3cncc(OC(C)c4ccccc4)n23)cc1,QXWQWMWZFIEVQE-UHFFFAOYSA-N,0,1,0.605,48,576,373.416,3.89,4,0.574,0.84,1.0,0.6270046604071002,0.16892262353505585,0.6358028921938181,0.41458775957782196,0.46157948392844905
EOS-0-01832,COc1ccc(-c2nnc3cncc(Oc4ccccc4)n23)cc1OC,PLRXABDHKFDYPD-UHFFFAOYSA-N,0,1,0.714,48,254,348.362,3.601,4,0.549,0.89,1.0,0.5231049962305531,0.19482900418065932,0.6535021588650538,0.4337177026934412,0.4512884654924268
EOS-0-01833,c1ccc(Oc2ccc(-c3nnc4cncc(Oc5ccccc5)n34)cc2)cc1,DQDRFWLEXWRBIB-UHFFFAOYSA-N,0,1,0.746,17,960,380.407,5.376,5,0.41,0.87,1.0,0.6473596737715029,0.4608748543622781,0.8082979233774245,0.7978805428003564,0.6786032485778904
EOS-0-01834,Clc1cccc(CCOc2cncc3nnc(-c4cccc(-n5ccnn5)c4)n23)c1,HSZGYCVKHFVSTL-UHFFFAOYSA-N,0,1,0.651,91,309,417.86,3.647,5,0.419,0.86,1.0,0.49485127818518265,0.5903810568158454,0.6031714755671305,0.64960420807347,0.5845020046604071
EOS-0-01835,O=C(Nc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1)Nc1ccc(Cl)cc1Cl,BEXCFAPAUUDGMR-UHFFFAOYSA-N,0,1,0.7,79,824,519.392,6.364,5,0.261,0.91,1.0,0.8928620382427523,0.6523970255637036,0.7809865670618875,0.7469416078404496,0.7682968096771983
EOS-0-01836,O=C(NCc1cccc(Oc2cncc3nnc(-c4ccccc4)n23)c1)c1ccccc1,NQQIRLIYKWOSPG-UHFFFAOYSA-N,0,1,0.525,79,824,421.46,4.514,5,0.436,0.87,1.0,0.7384517853471317,0.39263073127270237,0.6064697416215475,0.5157802755123021,0.563333133438421
EOS-0-01837,Cc1cn(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cc2F)cn1,PCUUFYMWPXHPBZ-UHFFFAOYSA-N,0,1,0.663,88,70,432.434,4.185,5,0.403,0.71,1.0,0.6533479542183538,0.46962168460009596,0.8391902542663285,0.8064303337673908,0.6921475567130423
EOS-0-01838,O=C(CBr)Nc1cccc(Oc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,VMTOZDLFGOYXTL-UHFFFAOYSA-N,0,1,0.512,48,254,460.238,4.195,4,0.452,0.81,1.0,0.5843499417449113,0.5193098485367692,0.7256870673702968,0.6984785141525598,0.6319563429511342
EOS-0-01839,O=S(=O)(CCCO)c1cccc(Oc2cncc3nnc(-c4cccc(F)c4)n23)c1,BXHQWSNEHPHSSY-UHFFFAOYSA-N,0,1,0.548,48,254,428.445,2.879,4,0.482,0.81,1.0,0.5231135631553697,0.6813275306695908,0.30751833321910765,0.47135220341306283,0.49582790761428275
EOS-0-01840,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-n1cccn1,PIBIFEXQOSUDJR-UHFFFAOYSA-N,0,1,0.692,91,309,446.898,4.261,5,0.371,0.73,1.0,0.5987766431361798,0.595058597765746,0.6945719964361593,0.6410372832568021,0.6323611301487218
EOS-0-01841,Fc1ccccc1-c1nnc2cncc(OCC3(F)CC4C(F)CCC43)n12,KJKOQTBPKUHBDS-UHFFFAOYSA-N,0,1,0.603,78,548,374.366,3.786,5,0.697,0.32,0.997,0.7206411486532794,0.847226029744363,0.8933075183332191,0.9335634980467411,0.8486845486944007
EOS-0-01842,O=S(=O)(O)Oc1ccccc1-c1nnc2cncc(OCc3ccccc3Cl)n12,ITLMFQMNCZUSLS-UHFFFAOYSA-N,0,1,0.53,48,135,432.845,3.205,4,0.462,0.86,1.0,0.57571448152971,0.5329826605441711,0.6064783085463642,0.6084658351038311,0.5809103214310192
EOS-0-01843,O=C(Nc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1)c1ccc(OC(F)F)cc1,MSCSMPGTUGCOMV-UHFFFAOYSA-N,0,1,0.663,79,397,535.938,5.92,5,0.252,0.81,1.0,0.782545747378521,0.7154067575902954,0.9386950860119252,0.9029110410527037,0.8348896580083613
EOS-0-01844,O=S(=O)(c1ccccc1)c1ccc(-c2nnc3cncc(Oc4ccccc4)n23)cc1,MFBKELMULKZLPF-UHFFFAOYSA-N,0,1,0.667,79,590,428.473,4.416,5,0.412,0.8,1.0,0.6296518401754506,0.5100918374340346,0.6837519703927079,0.7310756630799808,0.6386428277705435
EOS-0-01845,c1ccc(CCOc2cncc3nnc(-c4cccc(OCc5ccccn5)c4)n23)cc1,XJMHYYOYODUVAP-UHFFFAOYSA-N,0,1,0.68,79,824,423.476,4.387,5,0.369,0.76,1.0,0.5589747104379412,0.5013621410458502,0.6391354259475018,0.5618788979507916,0.5653377938455212
EOS-0-01846,CN(C)S(=O)(=O)c1ccc(-c2nnc3cncc(Oc4ccc(S(C)(=O)=O)cc4)n23)cc1,HCOGYHSSYJYFHX-UHFFFAOYSA-N,0,1,0.611,0,576,473.536,2.237,4,0.418,0.87,1.0,0.5589832773627579,0.39747961071893634,0.1961654444520595,0.16160646974162154,0.3285587005688438
EOS-0-01847,CCOc1ccc(CCOc2cncc3nnc(-c4ccc(OC)c(OC)c4)n23)cc1,UGEGHLVDBMNJNB-UHFFFAOYSA-N,0,1,0.72,48,396,420.469,3.829,4,0.407,0.84,1.0,0.5987852100609965,0.164998971969022,0.647950791583853,0.32502056061956003,0.4341888835583579
EOS-0-01848,CS(=O)(=O)c1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nc1,HOUMUDDEZLYECI-UHFFFAOYSA-N,0,1,0.689,79,824,471.542,3.878,5,0.355,0.77,1.0,0.5960352271948461,0.4608834212870948,0.4691248029607292,0.4620228222877116,0.4970165684325955
EOS-0-01849,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)cn1,RGCPTTAZJZMDEE-UHFFFAOYSA-N,0,1,0.667,84,73,397.442,3.208,5,0.438,0.81,1.0,0.5383969570283051,0.34007264752244537,0.39696559522993624,0.3411692138989788,0.4041511034199164
EOS-0-01850,Cc1ccccc1-c1nnc2cncc(Oc3ccccc3)n12,MEAHYFQNBPJKAD-UHFFFAOYSA-N,0,1,0.621,48,135,302.337,3.892,4,0.576,0.92,1.0,0.43728154341717496,0.24453430196696593,0.6064868754711809,0.6147282571448153,0.4757577445000343
EOS-0-01851,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5nnnn5C)c(F)c4)n23)c(F)c1,ZAUFHLLXUPIDRM-UHFFFAOYSA-N,0,1,0.524,13,941,420.383,3.361,5,0.44,0.77,1.0,0.5932167089301624,0.6472740045233363,0.5480775820711398,0.5842471386471112,0.5932038585429374
EOS-0-01852,O=S(=O)(Nc1ccc(F)cc1F)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,YMPXSJHOVMTGJD-UHFFFAOYSA-N,0,1,0.756,57,485,543.502,4.77,5,0.283,0.78,1.0,0.5960437941196628,0.5013707079706669,0.9282777054348571,0.9260160372832568,0.7379270612021108
EOS-0-01853,O=S(=O)(c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1)N1CCOCC1,QHGZZHALZNPRRI-UHFFFAOYSA-N,0,1,0.795,0,378,501.515,2.712,5,0.384,0.78,1.0,0.47273147830854634,0.2291652388458639,0.0947416215475293,0.3281903228017271,0.28120716537591667
EOS-0-01854,O=C(NS(=O)(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1)c1ccco1,WQXLYCLIBCFVGS-UHFFFAOYSA-N,0,1,0.694,79,397,507.503,3.264,5,0.339,0.8,1.0,0.5435028442190392,0.397488177643753,0.41086114728257145,0.3605218970598314,0.42809351655129874
EOS-0-01855,O=C(O)c1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)ccc2F)cc1,UEKZSWAOBVGVKT-UHFFFAOYSA-N,0,1,0.735,57,497,472.451,5.056,5,0.356,0.8,1.0,0.7938540881365225,0.16500753889383868,0.9257333287643068,0.8885528750599685,0.6932869577136591
EOS-0-01856,Cc1ccc(-c2nnc3cncc(OCc4ccccn4)n23)c(C)c1,JFOMVPLKSKCYCH-UHFFFAOYSA-N,0,1,0.644,90,677,331.379,3.382,4,0.573,0.83,1.0,0.4188455212117059,0.340081214447262,0.4691333698855459,0.37679905421150023,0.4012147899390035
EOS-0-01857,CN(C)C(=O)Oc1ccccc1-c1nnc2cncc(OCCc3cccc(Cl)c3)n12,PRJNJAFAXQEBSW-UHFFFAOYSA-N,0,1,0.7,48,396,437.887,4.127,4,0.451,0.82,0.999,0.46531252141731205,0.38345555479405113,0.3442618737577959,0.25554280035638405,0.36214318758138575
EOS-0-01858,O=S(=O)(Nc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1)c1ccc(C(F)(F)F)cc1,UIAUGJJIGIVBPQ-UHFFFAOYSA-N,0,1,0.714,79,397,557.529,5.372,5,0.258,0.86,1.0,0.6960283736549928,0.5147865122335686,0.9720289904735796,0.9469364676855596,0.7824450860119252
EOS-0-01859,Fc1cccc(Oc2cncc3nnc(-c4ccc(-n5ccnc5)cc4F)n23)c1,VNJXNQGAWVYZHA-UHFFFAOYSA-N,0,1,0.588,13,15,390.353,4.048,5,0.463,0.79,1.0,0.505105887190734,0.49689020629154956,0.8933160852580357,0.8981135631553697,0.6983564354739222
EOS-0-01860,CC(C)(Oc1ccc(F)c(-c2nnc3cncc(Oc4cccc(F)c4)n23)c1)c1nccs1,DEQNWEHYXSCSLU-UHFFFAOYSA-N,0,1,0.571,13,881,465.485,5.632,5,0.323,0.68,0.995,0.7477725995476664,0.7290710026728805,0.8308717702693441,0.7310842300047975,0.7596999006236721
EOS-0-01861,COc1ccc(NC(=O)c2cccc(Oc3cncc4nnc(-c5ccccc5F)n34)c2)cc1,ZKDUFRLMRZWAQP-UHFFFAOYSA-N,0,1,0.489,79,590,455.449,4.984,5,0.388,0.88,1.0,0.6073692687272977,0.5285107257898705,0.7981461174696731,0.6551812761291207,0.6473018470289905
EOS-0-01862,CC(Oc1ccccc1-c1nnc2cncc(OCCc3ccccc3)n12)c1ccc(Cl)c(Cl)c1,UPMISDOEPITMAD-UHFFFAOYSA-N,0,1,0.728,79,824,505.405,6.86,5,0.231,0.72,1.0,0.845109999314646,0.764803646083202,0.9636077033787952,0.9580820368720444,0.8829008464121719
EOS-0-01863,CC(COc1cncc2nnc(-c3cccc(NC(=O)C4CC4)c3)n12)c1ccccc1,GYRXLGNODVVXQV-UHFFFAOYSA-N,0,1,0.615,48,576,413.481,4.322,5,0.488,0.83,1.0,0.5284250565417038,0.24454286889178262,0.2967325748749229,0.35393393187581385,0.35590860804605584
EOS-0-01864,O=[N+]([O-])c1ccccc1-c1nnc2cncc(OCc3ccccc3)n12,HSQLBCUJKHKKCL-UHFFFAOYSA-N,0,1,0.722,48,135,347.334,3.279,4,0.406,0.87,1.0,0.5357155095606881,0.026805907751353573,0.3558015214858474,0.1967222945651429,0.278761308340758
EOS-0-01865,O=C(Nc1cccc(Oc2cncc3nnc(-c4cccc(F)c4)n23)c1)Oc1ccccc1,QNAMAAPDWIVYGE-UHFFFAOYSA-N,0,1,0.552,79,590,441.422,5.334,5,0.396,0.84,1.0,0.5589918442875745,0.5610479062435748,0.7384689191967652,0.6380131587965184,0.6241304571311083
EOS-0-01866,CCn1cc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)nn1,AYSNHFXLNKKZFF-UHFFFAOYSA-N,0,1,0.645,68,305,419.367,2.923,4,0.455,0.79,1.0,0.3813909259132342,0.4696302515249126,0.6728462751010897,0.5618874648756083,0.5214387293537113
EOS-0-01867,Fc1cnc(N2CCC(Oc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5F)n34)CC2)nc1,QODYVXGPKMIYIW-UHFFFAOYSA-N,0,1,0.489,68,305,493.396,3.806,5,0.388,0.69,1.0,0.6533565211431704,0.6278442190391337,0.5242786649304366,0.6785090124049071,0.620997104379412
EOS-0-01868,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)ccc1C1(C)COC1,NGDFYRSKJXDGDS-UHFFFAOYSA-N,0,1,0.679,91,660,500.002,5.36,6,0.301,0.55,0.999,0.7266208621753135,0.7107549174148448,0.8041943663902406,0.779555890617504,0.7552815091494757
EOS-0-01869,O=C(Nc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1)c1ccncc1,YETKHSCHUWAZNZ-UHFFFAOYSA-N,0,1,0.667,91,660,454.465,4.199,5,0.396,0.86,1.0,0.5932252758549791,0.12788705366321707,0.6891662668768419,0.5842557055719279,0.4986335754917415
EOS-0-01870,Fc1cccc(Oc2cncc3nnc(-c4ccc(-n5cnnn5)cc4)n23)c1,LFYLFPBIKPRNSU-UHFFFAOYSA-N,0,1,0.636,13,941,374.339,2.698,5,0.477,0.86,1.0,0.34919642245219656,0.4785141525597971,0.5480861489959564,0.5778647796586938,0.488415375916661
EOS-0-01871,O=C(Nc1cccc(Oc2cncc3nnc(-c4ccccc4)n23)c1)c1ccncc1,CDYOHHKNIQWSGD-UHFFFAOYSA-N,0,1,0.519,79,881,408.421,4.231,5,0.468,0.9,1.0,0.5357240764855048,0.22917380577068056,0.5446936467685559,0.4304108697142074,0.43500059968473714
EOS-0-01872,CC(C)Oc1ccccc1-c1nnc2cncc(OCCc3ccccc3)n12,GEXCRIRBOKOEQT-UHFFFAOYSA-N,0,1,0.896,48,576,374.444,4.2,4,0.485,0.86,1.0,0.3883044342402851,0.06067096155164142,0.6452350764169693,0.5021845658282503,0.3990987595092865
EOS-0-01873,Fc1ccc(CCOc2cncc3nnc(-c4ccc(N5CCOCC5)c(F)c4)n23)cc1F,GRWXATYVTPGFGW-UHFFFAOYSA-N,0,1,0.838,23,721,455.44,3.667,5,0.442,0.73,1.0,0.42588753341100677,0.11146425878966486,0.5309951339867042,0.6410458501816189,0.42734819409224867
EOS-0-01874,CN(C)CCN(C)c1cccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c1,YAPAKOUICWJTNO-UHFFFAOYSA-N,0,1,0.484,48,254,424.455,3.86,4,0.449,0.79,1.0,0.4536700705914605,0.4389178260571585,0.6391439928723186,0.4588787608799945,0.497652662600233
EOS-0-01875,CN(C(=O)COc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1)c1ccccc1F,ZQZBMBPAHWYVDR-UHFFFAOYSA-N,0,1,0.64,79,824,497.53,4.594,5,0.296,0.78,1.0,0.6213247892536495,0.392639298197519,0.5840500993763279,0.465004112123912,0.5157545747378521
EOS-0-01876,COc1ccc(COc2cncc3nnc(-c4ccccc4OC)n23)cc1,LLQUGCPERFCHES-UHFFFAOYSA-N,0,1,0.662,48,576,362.389,3.388,4,0.524,0.92,1.0,0.42836337468302377,0.07226201082859297,0.6837605373175245,0.4588873278048112,0.4108183126584881
EOS-0-01877,COc1cc(-c2nnc3cncc(Oc4ccccc4)n23)cc(OC)c1OC,KCNYSGICZKDUIZ-UHFFFAOYSA-N,0,1,0.672,48,396,378.388,3.609,4,0.507,0.85,1.0,0.44892399424302654,0.04214070317318895,0.5746436159276266,0.2821688026865876,0.3369692790076074
EOS-0-01878,COc1ccc(CCOc2cncc3nnc(-c4cccc(OC)c4C)n23)cc1,ZTZCSGIXESKBIU-UHFFFAOYSA-N,0,1,0.704,48,396,390.443,3.738,4,0.479,0.84,1.0,0.4372901103419916,0.06481735316290864,0.6267990542115003,0.36388013158796517,0.37319666232609144
EOS-0-01879,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4noc(C5CCOCC5)n4)n23)cc1,SBCHNWACWDZJRN-UHFFFAOYSA-N,0,1,0.548,68,548,462.388,3.546,5,0.425,0.74,1.0,0.4778544993489137,0.39749674456856965,0.30410013021725724,0.392536495099719,0.3929969673086149
EOS-0-01880,CCOc1ccccc1-c1nnc2cncc(OC(C)c3ccccc3)n12,USADMTLCXMXAMQ-UHFFFAOYSA-N,0,1,0.722,48,135,360.417,4.33,4,0.512,0.81,0.999,0.3584658351038311,0.13468919196765128,0.7671766842574189,0.632170516071551,0.4731255568501131
EOS-0-01881,O=C(Nc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1)c1c(F)cccc1F,XBAGTFYUERWNNP-UHFFFAOYSA-N,0,1,0.689,79,824,471.467,4.943,5,0.364,0.86,1.0,0.5616989925296415,0.12075080529093277,0.8196662326091426,0.7816890548968543,0.5709512713316428
EOS-0-01882,O=C(NCCc1cocn1)c1cccc(COc2cncc3nnc(-c4cc(Cl)ccc4OC(F)F)n23)c1,GSPYROQFBBFHND-UHFFFAOYSA-N,0,1,0.476,1,713,540.914,4.586,5,0.273,0.65,0.999,0.6241604413679666,0.5750034267699267,0.7739017202385032,0.6899715578096086,0.6657592865465012
EOS-0-01883,Clc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(N4CCOCC4)cc3)n12,KYPGEHBRYXFYAW-UHFFFAOYSA-N,0,1,0.788,48,378,470.36,4.556,5,0.412,0.81,1.0,0.3990045233363032,0.10485059283119731,0.3558100884106641,0.5651086286066753,0.35619345829620996
EOS-0-01884,CC(=O)NCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c(=O)o1,AWESSADKQCWAGR-UHFFFAOYSA-N,0,1,0.638,91,309,470.489,2.928,5,0.371,0.69,0.178,0.5757230484545267,0.2291823726954972,0.22398224933177988,0.14341032143101912,0.29307449797820573
EOS-0-01885,COc1cc(OC)cc(C(=O)Nc2ccc(-c3nnc4cncc(Oc5ccccc5)n34)cc2)c1,YTAPCLGIUVWISB-UHFFFAOYSA-N,0,1,0.597,79,590,467.485,4.853,5,0.365,0.89,1.0,0.5675245014049757,0.14202247961071893,0.6864848194092249,0.43372626961825783,0.4574395175107943
EOS-0-01886,COc1ccc(-c2ccc(CCOc3cncc4nnc(-c5cccc(Oc6ccccc6)c5)n34)cc2)cc1,RMYXDSCPQZLUAY-UHFFFAOYSA-N,0,1,0.711,17,403,514.585,6.881,6,0.209,0.83,1.0,0.842865465012679,0.5193184154615859,0.8885871427592351,0.82502056061956,0.768947895963265
EOS-0-01887,O=C(CNc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1)Nc1ccc(F)cc1F,KEPDNRZVBZJZGB-UHFFFAOYSA-N,0,1,0.609,79,824,500.509,4.742,5,0.304,0.8,1.0,0.6502124597354534,0.10832876430676444,0.7177712288396957,0.6261051333013501,0.5256043965458159
EOS-0-01888,O=C(Nc1cccc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)c1)c1ccccn1,CVACJNMPGMWFDI-UHFFFAOYSA-N,0,1,0.593,1,92,441.426,3.552,5,0.429,0.88,1.0,0.4283719416078404,0.16111815502707147,0.44777602631759306,0.34440751147967924,0.345418408608046
EOS-0-01889,Cc1nc2ccccc2n2c(-c3ccc(OC(F)F)cc3)nnc12,LQBQWXSHLDXISV-UHFFFAOYSA-N,0,0,0.457,48,444,326.306,3.854,4,0.574,0.92,1.0,0.3152542663285587,0.35461928586114727,0.8505242957987801,0.8636916592419985,0.5960223768076212
EOS-0-01890,O=C(Nc1cccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c1)C1(CO)CCCC1,DRNPISAOBSVTNH-UHFFFAOYSA-N,0,1,0.736,0,378,475.524,4.043,5,0.399,0.86,0.993,0.4441350832705092,0.11440271400178192,0.05775820711397437,0.2703293125899527,0.22165632924405454
EOS-0-01891,CC(C)(C)OC(=O)Oc1ccccc1-c1nnc2cncc(OCCc3c(Cl)cccc3Cl)n12,XOFMURCCPTXWBV-UHFFFAOYSA-N,0,1,0.612,48,378,501.37,6.034,4,0.235,0.73,0.998,0.6270132273319169,0.5193269823864026,0.7554571311082174,0.6116355972859983,0.6283582345281338
EOS-0-01892,COc1cccnc1COc1cncc2nnc(-c3ccc(NC(C)=O)cc3)n12,DHAFFKPSKJMLOM-UHFFFAOYSA-N,0,1,0.548,90,636,390.403,2.732,4,0.54,0.83,1.0,0.38374683023781786,0.03543280104173806,0.2277773970255637,0.06387499143307518,0.1777080049345487
EOS-0-01893,Cc1cccc(C(=O)N(C)c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ccc2[N+](=O)[O-])n1,SCZKMCLYRCIMCW-UHFFFAOYSA-N,0,1,0.659,79,824,509.526,4.301,5,0.224,0.74,0.965,0.6442841477623192,0.08919025426632855,0.16366253169762182,0.039322184908505246,0.2341147796586937
EOS-0-01894,CC(C)Oc1ccccc1C(=O)Nc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1,LORAJBULLJNSAL-UHFFFAOYSA-N,0,1,0.587,79,824,494.555,4.847,5,0.312,0.86,1.0,0.507658830786101,0.12440031526283325,0.49634192310328284,0.27928174902337055,0.3519207045438969
EOS-0-01895,COCCOc1ccccc1-c1nnc2cncc(OCCc3ccc(OC)cc3)n12,LZBZZKBUATZVSJ-UHFFFAOYSA-N,0,1,0.781,48,576,420.469,3.447,4,0.364,0.85,1.0,0.335155232677678,0.009020971831951203,0.554931121924474,0.3379823178671784,0.3092724110753204
EOS-0-01896,COCC(=O)N1CCc2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ccc21,YMYCJPSDEQGBLP-UHFFFAOYSA-N,0,1,0.589,48,378,447.47,3.087,5,0.433,0.73,1.0,0.310062709889658,0.10485915975601398,0.20679699814954425,0.24634192310328284,0.21701519772462477
EOS-0-01897,FC(F)(F)Oc1ccc(-c2nc(-c3nnc4c5ccccc5cnn34)n[nH]2)cc1,GDCXXLGCLNLYCD-UHFFFAOYSA-N,0,0,0.315,48,444,397.32,3.628,5,0.5,0.83,1.0,0.3537111918305805,0.2801298745802207,0.852177712288397,0.8411349461997122,0.5817884312247276
EOS-0-01898,COc1cccc(-c2nnc3cncc(Oc4cccc(NC(=O)CC=CN(C)C)c4)n23)c1,PVXGLCWLEXADQI-UHFFFAOYSA-N,0,1,0.457,48,576,444.495,3.996,4,0.439,0.8,1.0,0.32242478240010963,0.09214584332807896,0.31874957165375917,0.07477211979987664,0.2020230792954561
EOS-0-01899,Fc1cccc(-n2ncc3nc(-c4ccc(OC(F)F)cc4)nnc32)c1,BOZTUXWDVBKKQZ-UHFFFAOYSA-N,0,0,0.407,48,444,357.295,3.618,4,0.558,0.92,1.0,0.06032828455897471,0.21369337262696184,0.9221609211157563,0.9270183674868069,0.5308002364471249
EOS-0-01900,Fc1ccc(-n2ncc3nc(-c4ccc(OC(F)(F)F)cc4)nnc32)cc1,KESMHIZUZXGMRC-UHFFFAOYSA-N,0,0,0.382,48,444,375.285,3.915,4,0.508,0.89,1.0,0.08181413199917757,0.2291909396203139,0.9847251730518813,0.97519018573093,0.5677301076005756
EOS-1-00014,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,DNLULFDNKISCHY-UHFFFAOYSA-N,1,1,1.0,48,948,393.809,4.077,4,0.51,0.85,1.0,0.9998543622781166,0.99935748063875,0.9591100678500446,0.9635563018298952,0.9804695531492016
EOS-1-00017,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,HWLCMYJAAKNCPU-UHFFFAOYSA-N,1,1,1.0,48,948,393.809,4.077,4,0.51,0.81,1.0,0.99987149612775,0.9992204098416833,0.9591186347748613,0.9629480501679117,0.9802896477280516
EOS-1-00023,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Br,ZPBDYVFZKWPBDY-UHFFFAOYSA-N,1,1,1.0,23,86,447.695,4.968,4,0.433,0.88,1.0,0.99992289767665,0.99997429922555,0.9538499760126106,0.9661777808237955,0.9799812384346516
EOS-1-00030,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1,ZBYRLBZJXWUZCR-UHFFFAOYSA-N,1,1,1.0,23,17,372.762,4.302,4,0.536,0.9,1.0,0.9993660475635666,0.9958193406894661,0.9782742786649304,0.9856504009320814,0.9897775169625112
EOS-1-00038,Fc1cc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)ccc1Cl,PVTHUOQSCXFQBR-UHFFFAOYSA-N,1,1,1.0,23,86,447.695,4.968,4,0.433,0.83,1.0,0.9998886299773834,0.9997344253306834,0.9546295661709273,0.9656723322596121,0.9799812384346516
EOS-1-00039,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1Cl,PZUCJSPQKFNLRS-UHFFFAOYSA-N,1,1,1.0,23,86,447.695,4.968,4,0.433,0.83,1.0,0.9998800630525666,0.9997515591803167,0.954638133095744,0.9661863477486121,0.9801140257693098
EOS-1-00048,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,LPPZYBKYWQCCRF-UHFFFAOYSA-N,1,1,1.0,48,17,386.333,4.111,4,0.499,0.9,1.0,0.9998372284284833,0.9875351243917483,0.9804759783428141,0.9731598245493798,0.9852520389281063
EOS-1-00050,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,UPKBTBMLKNRRBS-UHFFFAOYSA-N,1,1,0.768,23,231,386.789,4.344,4,0.512,0.82,1.0,0.9997344253306834,0.9998886299773834,0.962245562332945,0.9734768007675965,0.983836354602152
EOS-1-00055,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1,MRLIEFAZNMVBEA-UHFFFAOYSA-N,1,1,0.848,48,101,393.809,4.077,4,0.51,0.83,1.0,0.9997601261051333,0.9991261736686999,0.9585960523610445,0.9635648687547118,0.9802618052223975
EOS-1-00068,Fc1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1,PUVBDHAXDIXYJF-UHFFFAOYSA-N,1,1,0.761,23,370,386.789,4.344,4,0.512,0.84,1.0,0.9995031183606332,0.9992289767664999,0.9606692481666781,0.9739565485573298,0.9833394729627853
EOS-1-00071,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)cc1,NRLWREPSBGEFRT-UHFFFAOYSA-N,1,1,0.768,23,231,386.789,4.344,4,0.512,0.81,1.0,0.9995973545336166,0.9990062367212665,0.9622541292577617,0.9734853676924131,0.9835857720512645
EOS-1-00076,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1,XMHDFARCXKGWEU-UHFFFAOYSA-N,1,1,0.848,48,101,393.809,4.077,4,0.51,0.85,1.0,0.9994088821876499,0.9972500171338496,0.9581077376464944,0.9629566170927284,0.9794308135151806
EOS-1-00084,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,QZVKPNCYSGFDRZ-UHFFFAOYSA-N,1,1,0.864,48,17,354.772,4.163,4,0.552,0.93,1.0,0.9972157494345829,0.9956394352683161,0.944657665684326,0.962965184017545,0.9751195086011926
EOS-1-00085,Oc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,DZTPMVYVSRDHPS-UHFFFAOYSA-N,1,1,0.846,48,231,366.808,3.772,4,0.582,0.84,1.0,0.9967959701185662,0.9972585840586663,0.812589952710575,0.8311459118634775,0.9094476046878213
EOS-1-00087,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,ILTSEFBNLBRQCJ-UHFFFAOYSA-N,1,1,0.818,48,231,393.809,4.077,4,0.51,0.8,1.0,0.9978240010965663,0.9997943938043999,0.9538585429374272,0.9606007127681447,0.9780194126516346
EOS-1-00088,Clc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1Br,XFVRZPHDHZNOHH-UHFFFAOYSA-N,1,1,1.0,48,101,429.705,4.829,4,0.456,0.84,1.0,0.9983465835103831,0.9935833733123158,0.8775872112946337,0.9074343773559044,0.9442378863683092
EOS-1-00092,Oc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,PJVQJINCBCUZSC-UHFFFAOYSA-N,1,1,0.846,48,231,350.353,3.258,4,0.598,0.85,1.0,0.9975241587279831,0.9923583030635323,0.8083064903022411,0.7908813652251387,0.8972675793297238
EOS-1-00093,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,JMBKCBWNKZIAFZ-UHFFFAOYSA-N,1,1,0.768,23,231,403.244,4.859,4,0.478,0.8,1.0,0.9996744568569667,0.9996230553080666,0.9627167431978617,0.9800733328764307,0.9855218970598315
EOS-1-00095,Brc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1,HPAZURBDEPKDSI-UHFFFAOYSA-N,1,1,1.0,48,231,474.156,4.938,4,0.412,0.9,1.0,0.9984151189089164,0.9959564114865328,0.8580374888629977,0.8732694811870331,0.93141962511137
EOS-1-00096,C#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,NEIPAEFAQYEAPJ-UHFFFAOYSA-N,1,1,0.859,48,231,374.831,4.048,4,0.494,0.84,1.0,0.9974384894798163,0.9986806935782332,0.9003666643821534,0.9086851483791378,0.9512927489548351
EOS-1-00098,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,VJGNSHQXWKSRQK-UHFFFAOYSA-N,1,1,0.761,23,370,403.244,4.859,4,0.478,0.81,1.0,0.9995545199095333,0.9997601261051333,0.9611661298060448,0.9804845452676307,0.9852413302720855
EOS-1-00099,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1Cl,FGLIEQKITGVCMB-UHFFFAOYSA-N,1,1,1.0,23,86,464.15,5.482,4,0.393,0.85,1.0,0.9994602837365499,0.9991775752175999,0.955254951682544,0.9734939346172298,0.9818466863134809
EOS-1-00104,Oc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1,NGKYXAGEUAATLA-UHFFFAOYSA-N,1,1,0.824,48,101,384.798,3.911,4,0.564,0.85,1.0,0.9979525049688164,0.9948341443355493,0.9155558220821054,0.917551915564389,0.9564735967377149
EOS-1-00105,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,SKJFPEBDSAWFNX-UHFFFAOYSA-N,1,1,0.821,48,231,393.809,4.077,4,0.51,0.78,1.0,0.9980467411417997,0.9995973545336166,0.9532417243506272,0.9600181618806113,0.9777259954766637
EOS-1-00107,Clc1ccc(-c2nnc3cncc(OCCCc4ccccc4)n23)cc1,QOZWNYJMTJYFCL-UHFFFAOYSA-N,1,1,0.791,48,135,364.836,4.456,4,0.474,0.91,1.0,0.9976012610513331,0.9975070248783496,0.6864933863340416,0.7908899321499554,0.8681229011034199
EOS-1-00111,Fc1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,SAIHDBHCLHBZHL-UHFFFAOYSA-N,1,1,0.746,23,17,372.762,4.302,4,0.536,0.88,1.0,0.9980553080666164,0.997267150983483,0.9762353505585635,0.9843139606606812,0.9889679425673359
EOS-1-00112,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1Cl,NFKOANYFEADFSU-UHFFFAOYSA-N,1,1,0.818,48,231,393.809,4.077,4,0.51,0.85,1.0,0.9973785210060997,0.9993317798642999,0.9538671098622439,0.9606092796929614,0.9777966726064012
EOS-1-00119,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,IKKJFUPEZVVTAN-UHFFFAOYSA-N,1,1,0.783,23,86,404.779,4.484,4,0.46,0.77,1.0,0.9995630868343499,0.9997001576314166,0.982797614968131,0.9889143992872319,0.9927438146802824
EOS-1-00120,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,ALNZXROQVLJWPK-UHFFFAOYSA-N,1,1,0.826,48,101,393.809,4.077,4,0.51,0.84,1.0,0.997447056404633,0.9979439380439997,0.9538756767870605,0.9610718936330614,0.9775846412171887
EOS-1-00121,Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,LUEXLTOIQFIKPD-UHFFFAOYSA-N,1,1,0.831,48,231,382.826,4.514,4,0.509,0.84,1.0,0.9972243163593997,0.9991861421424165,0.9291857994654239,0.934574395175108,0.9650426632855871
EOS-1-00123,N#Cc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,DYUWFXKBOGVUGA-UHFFFAOYSA-N,1,1,0.779,48,231,393.809,4.077,4,0.51,0.77,1.0,0.9982780481118497,0.9996059214584333,0.9488297580700432,0.960617846617778,0.9768328935645261
EOS-1-00125,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4)n23)cc1,QRMKLOBYZSJZRO-UHFFFAOYSA-N,1,1,0.864,48,17,354.772,4.163,4,0.552,0.94,1.0,0.9966931670207663,0.9916900829278322,0.9446662326091426,0.9629737509423617,0.9740058083750256
EOS-1-00128,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1Br,XSXUJTFATYGIBO-UHFFFAOYSA-N,1,1,1.0,23,86,492.146,5.077,4,0.39,0.82,1.0,0.9994174491124665,0.9973785210060997,0.9372387087930917,0.9405883763964088,0.9686557638270167
EOS-1-00132,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1Cl,ULBZFNDUICANBU-UHFFFAOYSA-N,1,1,0.877,23,86,403.244,4.859,4,0.478,0.86,1.0,0.9978325680213831,0.9990747721197999,0.9632307586868618,0.9804931121924474,0.9851578027551231
EOS-1-00133,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1F,OQCCWHQDXGMTTH-UHFFFAOYSA-N,1,1,0.818,48,231,377.354,3.563,4,0.532,0.83,1.0,0.9963162223288329,0.9982609142622164,0.9532502912754438,0.9491210335138098,0.9742371153450757
EOS-1-00136,N#Cc1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,FGNAWFYQDLDEJB-UHFFFAOYSA-N,1,1,0.794,48,231,375.819,3.938,4,0.528,0.85,1.0,0.9944914673428826,0.9987749297512165,0.8802429579878007,0.9029196079775204,0.944107240764855
EOS-1-00139,Fc1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)cc1,AUMBHDUZJVOKLT-UHFFFAOYSA-N,1,1,0.761,23,370,403.244,4.859,4,0.478,0.84,1.0,0.9993746144883833,0.9989805359468166,0.9611746967308615,0.9808357891851142,0.9850914090877939
EOS-1-00140,Clc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(Br)c1,OYCXUNCHSNDDJN-UHFFFAOYSA-N,1,1,1.0,48,906,429.705,4.829,4,0.456,0.83,1.0,0.9930436570488658,0.9971900486601329,0.8454526763073127,0.8926050304982523,0.932072853128641
EOS-1-00146,Cc1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1,DPKBIODXBIRRET-UHFFFAOYSA-N,1,1,0.866,48,135,348.381,3.86,4,0.549,0.9,1.0,0.992598176958399,0.9897196902199986,0.8234870810773764,0.8042800356384072,0.9025212459735453
EOS-1-00149,Cc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,DOLJHZFPWMSDCF-UHFFFAOYSA-N,1,1,0.846,48,231,382.826,4.514,4,0.509,0.81,1.0,0.9972328832842163,0.9984408196833665,0.9282862723596738,0.9335720649715578,0.9643830100747036
EOS-1-00162,Fc1ccc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)c4)n23)cc1,LKODRVZGWRCEBW-UHFFFAOYSA-N,1,1,0.841,23,370,403.244,4.859,4,0.478,0.8,1.0,0.9983551504351997,0.9990148036460832,0.958116304571311,0.9784284833116305,0.9834786854910561
EOS-1-00165,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4F)n23)cc1,VQTURMUWPXDCDC-UHFFFAOYSA-N,1,1,0.765,23,86,404.779,4.484,4,0.46,0.76,1.0,0.9996915907066,0.9990833390446165,0.9825748749228976,0.9877578644369817,0.992276917277774
EOS-1-00167,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,DJWAHOBSGVLSFU-UHFFFAOYSA-N,1,1,0.851,48,101,393.809,4.077,4,0.51,0.84,1.0,0.9945000342676993,0.9979867726680831,0.9476132547460764,0.9575337536837777,0.9744084538414092
EOS-1-00174,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1Cl,VGQVSMAFILHCPL-UHFFFAOYSA-N,1,1,0.818,48,231,410.264,4.591,4,0.481,0.83,1.0,0.9971129463367829,0.9994003152628332,0.9546467000205606,0.9697159207730793,0.9802189705983141
EOS-1-00178,Cc1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)cc1,JVSBUZBNGXDYCD-UHFFFAOYSA-N,1,1,0.839,48,576,355.401,3.593,4,0.547,0.86,1.0,0.9973870879309163,0.9872095812487149,0.8179442807209923,0.7649407168802687,0.891870416695223
EOS-1-00179,Fc1cc(Br)cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,GHKJYGAVCLYFJQ-UHFFFAOYSA-N,1,1,0.841,23,370,447.695,4.968,4,0.433,0.84,1.0,0.9980039065177164,0.99951168528545,0.9440751147967925,0.9623312315811117,0.9759804845452675
EOS-1-00180,Oc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,HKOBGNJOFYMTCR-UHFFFAOYSA-N,1,1,0.812,48,231,366.808,3.772,4,0.582,0.83,1.0,0.9941316565005826,0.9932835309437325,0.7957987800699061,0.8250291275443766,0.9020607737646494
EOS-1-00187,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1F,SDVHPILICVJKNA-UHFFFAOYSA-N,1,1,0.797,23,101,395.344,3.702,4,0.515,0.78,1.0,0.9981923788636831,0.9971986155849496,0.9794565142896305,0.9772719484613803,0.988029864299911
EOS-1-00189,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1,LLXXMIVPYYKZLL-UHFFFAOYSA-N,1,1,0.81,23,17,356.307,3.788,4,0.558,0.87,1.0,0.9934291686656158,0.9894883832499486,0.9776317593036804,0.980501679117264,0.9852627475841272
EOS-1-00193,Cc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,PVUJJCOJPCZAHR-UHFFFAOYSA-N,1,1,0.866,48,135,364.836,4.375,4,0.527,0.89,1.0,0.9910475635665822,0.9908419573709821,0.8251233637173601,0.8467548488794462,0.9134419333835927
EOS-1-00195,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1,DPHJOLLDKHXPHK-UHFFFAOYSA-N,1,1,0.826,48,101,377.354,3.563,4,0.532,0.82,1.0,0.9955880337194161,0.9930607908984991,0.9532588582002605,0.9509971900486601,0.973226218216709
EOS-1-00197,Oc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1,FCUFLHYZZKBXIA-UHFFFAOYSA-N,1,1,0.824,48,101,368.343,3.397,4,0.585,0.84,1.0,0.9965218285244328,0.9844938660818313,0.9144506887807553,0.8981221300801864,0.9483971283668016
EOS-1-00199,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,XAMNNJDMKGNCHD-UHFFFAOYSA-N,1,1,0.877,48,948,382.826,4.514,4,0.509,0.84,1.0,0.9919213898978823,0.9948427112603659,0.9299739565485573,0.9278921938181071,0.9611575628812281
EOS-1-00204,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1Cl,SALJEXFZMNRIAE-UHFFFAOYSA-N,1,1,0.797,23,101,428.254,4.73,4,0.46,0.81,1.0,0.9987406620519498,0.9991947090672332,0.9797135220341306,0.9864813926392982,0.9910325714481529
EOS-1-00205,Oc1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)c1,UIKMUVRTUWAKDN-UHFFFAOYSA-N,1,1,0.812,48,231,350.353,3.258,4,0.598,0.82,1.0,0.9951339867041327,0.9869183058049482,0.7934771434445891,0.7862809265985882,0.8904525906380646
EOS-1-00208,Nc1cc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)ccc1Cl,KRDYIHXKBIVCNR-UHFFFAOYSA-N,1,1,0.831,48,231,383.814,3.788,4,0.53,0.88,1.0,0.9977725995476664,0.9848022753752314,0.8710506476595161,0.8939243369200192,0.9368874648756083
EOS-1-00214,Clc1cccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)c1,QVXWTOQLQXEKTM-UHFFFAOYSA-N,1,1,0.889,48,231,429.705,4.829,4,0.456,0.86,1.0,0.9934377355904325,0.9973870879309163,0.8839781372078679,0.9196765129189226,0.9486198684120348
EOS-1-00217,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(Br)c4)n23)cc1,LWTQCWCFVMCMHX-UHFFFAOYSA-N,1,1,0.887,23,86,431.24,4.454,4,0.469,0.82,1.0,0.9978411349461997,0.9935919402371325,0.9513055993420602,0.9555976286752107,0.9745840758001507
EOS-1-00218,FCc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,BYLAIZOMHUKMJP-UHFFFAOYSA-N,1,1,0.859,48,231,366.371,4.021,4,0.517,0.91,1.0,0.990327941881982,0.992058460694949,0.9070402988143376,0.8939329038448358,0.9458399013090261
EOS-1-00220,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,VXMIZWSPTAQQQS-UHFFFAOYSA-N,1,1,0.853,48,576,407.38,3.886,4,0.462,0.83,1.0,0.9967017339455829,0.9951596874785826,0.9645243643341787,0.9421389897882256,0.9746311938866424
EOS-1-00226,FCOc1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)c1,IUQTVSMLMCSWOK-UHFFFAOYSA-N,1,1,0.778,48,396,382.37,3.858,4,0.486,0.84,1.0,0.997010143238983,0.9958279076142827,0.8816050990336509,0.8537026249057639,0.9320364436981701
EOS-1-00231,Oc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1F,CJOAXFZYLVPKSM-UHFFFAOYSA-N,1,1,0.8,23,86,386.333,3.536,4,0.568,0.75,1.0,0.9953995613734494,0.9916986498526489,0.9632393256116785,0.9556061956000275,0.9764859331094511
EOS-1-00234,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Br)c4)n23)cc1F,DHXCZNYTDDUAPP-UHFFFAOYSA-N,1,1,0.889,23,86,465.685,5.107,4,0.411,0.81,1.0,0.9985521897059831,0.9992889452402166,0.979987663628264,0.985324857789048,0.9907884140908779
EOS-1-00235,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)ccc1Cl,XEFOKLJWLBDRBR-UHFFFAOYSA-N,1,1,0.889,23,86,421.234,4.998,4,0.455,0.79,1.0,0.9986378589541498,0.9977383318483997,0.9858131725035981,0.9928808854773491,0.9937675621958743
EOS-1-00236,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,FKCHNQWNBNLMDT-UHFFFAOYSA-N,1,1,0.831,48,40,407.38,3.886,4,0.462,0.83,1.0,0.9959821122609828,0.9952710575011994,0.9611832636556782,0.9396888492906587,0.9730313206771297
EOS-1-00237,Clc1ccc(CCCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,JNAIGMBXVBFULH-UHFFFAOYSA-N,1,1,0.785,48,231,399.281,5.11,4,0.423,0.89,1.0,0.9967103008703996,0.9981324103899664,0.8654564457542321,0.9311990267973408,0.9478745459529847
EOS-1-00238,Fc1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1,LCYJCYGRXJBBLC-UHFFFAOYSA-N,1,1,0.742,23,17,356.307,3.788,4,0.558,0.85,1.0,0.9958364745390994,0.9880405729559317,0.9748389418134467,0.9794993489137139,0.9845538345555479
EOS-1-00240,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1OC(F)F,CLGMJJDDZIOISS-UHFFFAOYSA-N,1,1,0.761,48,240,434.805,4.807,4,0.418,0.8,1.0,0.9984836543074498,0.9994517168117333,0.985222054691248,0.9837913782468645,0.9917372010143238
EOS-1-00241,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,MGPCYILBCBAQBU-UHFFFAOYSA-N,1,1,0.8,48,240,409.371,4.303,4,0.491,0.88,1.0,0.9984236858337331,0.9925296415598657,0.9944314988691659,0.9867384003837982,0.9930308066616407
EOS-1-00242,Cc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F,CUVOCINSVFZQEL-UHFFFAOYSA-N,1,1,0.822,48,40,414.387,4.462,4,0.447,0.8,1.0,0.9977211979987664,0.9973528202316496,0.9731426906997465,0.9517425125077102,0.9799898053594682
EOS-1-00243,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c(F)c1,VTICKJBEGQRYML-UHFFFAOYSA-N,1,1,0.838,23,86,395.344,3.702,4,0.515,0.83,1.0,0.9926067438832157,0.9945685696662326,0.9770063737920636,0.9764323898293469,0.9851535192927147
EOS-1-00244,COc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1,IQFWKYYNWKGHEW-UHFFFAOYSA-N,1,1,0.836,48,101,398.825,4.214,4,0.486,0.84,1.0,0.9958450414639161,0.992366869988349,0.9231718182441231,0.8953978479884861,0.9516953944212185
EOS-1-00246,C#Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,XULBDYXWYUOPQD-UHFFFAOYSA-N,1,1,0.851,48,948,376.366,3.672,4,0.499,0.78,1.0,0.9910561304913988,0.9928808854773491,0.9563943526831609,0.9461997121513261,0.9716327702008087
EOS-1-00247,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(Br)cc3)n12,PMPAQSGGUZMSAM-UHFFFAOYSA-N,1,1,0.851,48,231,413.25,4.314,4,0.489,0.85,1.0,0.9948427112603659,0.9943372626961826,0.8816136659584676,0.896845658282503,0.9419098245493798
EOS-1-00250,Oc1ccccc1CCOc1cncc2nnc(-c3ccc(F)cc3)n12,HEEXTNWVFITMGQ-UHFFFAOYSA-N,1,1,0.773,48,231,350.353,3.258,4,0.598,0.86,1.0,0.9946799396888493,0.9837142759235145,0.7694469193338359,0.7571533822219176,0.8762486292920293
EOS-1-00251,Clc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,ZLFIHXNSVDCHMY-UHFFFAOYSA-N,1,1,0.864,48,17,371.227,4.677,4,0.523,0.88,1.0,0.9929065862517991,0.9930693578233157,0.9453430196696594,0.9723631005414296,0.975920516071551
EOS-1-00254,COc1cc(F)ccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,BRRQXHLMANQWRU-UHFFFAOYSA-N,1,1,0.768,48,231,398.825,4.214,4,0.486,0.83,1.0,0.9951425536289493,0.9965218285244328,0.8957319580563361,0.8801658556644507,0.9418905489685422
EOS-1-00255,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4C(F)(F)F)n23)cc1,CWOCLHGRZMMXEX-UHFFFAOYSA-N,1,1,0.783,48,240,402.351,4.571,4,0.459,0.89,1.0,0.997961071893633,0.9956480021931328,0.9941916249742992,0.9894027140017819,0.9943008532657117
EOS-1-00256,Fc1ccc(-c2nnc3cncc(OCc4ccccc4Cl)n23)cc1,PZRGSFCYLDESCO-UHFFFAOYSA-N,1,1,0.754,48,17,354.772,4.163,4,0.552,0.89,1.0,0.9936347748612158,0.9917072167774655,0.9400486601329586,0.9623397985059283,0.9719326125693921
EOS-1-00260,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4Br)n23)cc1,RYRWWYJHOQWWKX-UHFFFAOYSA-N,1,1,0.851,48,231,413.25,4.314,4,0.489,0.85,1.0,0.9937804125830991,0.9943458296209993,0.872421355630183,0.8911486532794188,0.937924062778425
EOS-1-00263,Oc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1,WXADCCAEZSIMBV-UHFFFAOYSA-N,1,1,0.824,48,101,401.253,4.425,4,0.536,0.83,1.0,0.9945086011925159,0.9918699883489822,0.9164724830374888,0.9345829620999246,0.9593585086697278
EOS-1-00264,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)ccc1Cl,HGOAHQPDXDFPTF-UHFFFAOYSA-N,1,1,0.846,48,231,382.826,4.514,4,0.509,0.86,1.0,0.9920156260708656,0.9940031526283325,0.9282948392844904,0.9362620793639915,0.96264392433692
EOS-1-00265,Oc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,FCYQKRPPDJNYBJ-UHFFFAOYSA-N,1,1,0.826,48,231,384.798,3.911,4,0.564,0.84,1.0,0.9895740524981153,0.9925382084846823,0.8957405249811528,0.9064577479268042,0.9460776334726886
EOS-1-00266,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1,MSOVDPBNGIIBJL-UHFFFAOYSA-N,1,1,0.831,90,305,401.348,3.548,4,0.472,0.81,1.0,0.9934463025152491,0.9898824617915153,0.9117435405386882,0.8815536974847509,0.944156500582551
EOS-1-00269,Fc1ccc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cc4)n23)cc1,YBTLVYJXCDZHHX-UHFFFAOYSA-N,1,1,0.743,48,444,404.323,4.408,4,0.461,0.86,1.0,0.9978497018710164,0.9906877527242821,0.9954509629223494,0.9914073744088822,0.9938489479816326
EOS-1-00273,Clc1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)cc1,MFHSDEGKOAHHDI-UHFFFAOYSA-N,1,1,0.839,48,17,371.227,4.677,4,0.523,0.9,1.0,0.9904907134534987,0.9922212322664656,0.9407168802686587,0.9711380302926461,0.9736417140703172
EOS-1-00276,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cccc(Br)c4)n23)cc1,GJHUCJPTVPRIAU-UHFFFAOYSA-N,1,1,0.847,48,40,461.266,4.777,4,0.397,0.81,1.0,0.9986892605030498,0.9956565691179494,0.957550887533411,0.9421475567130423,0.9735110684668631
EOS-1-00279,Clc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4Cl)n23)cc1,QVDSWQVVDIRISI-UHFFFAOYSA-N,1,1,0.768,23,231,419.699,5.373,4,0.436,0.82,1.0,0.997781166472483,0.9989120005482832,0.9627253101226784,0.9853334247138648,0.9861879754643273
EOS-1-00281,Cc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1F,VZUHQCBGMKYLPO-UHFFFAOYSA-N,1,1,0.821,48,135,348.381,3.86,4,0.549,0.89,1.0,0.9904992803783154,0.984810842300048,0.8196747995339593,0.7956874100472894,0.8976680830649031
EOS-1-00282,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1Cl,RLKBCWFKYCSQDN-UHFFFAOYSA-N,1,1,0.797,23,101,428.254,4.73,4,0.46,0.8,1.0,0.9981238434651497,0.9976098279761497,0.9797220889589473,0.9864899595641149,0.9904864299910905
EOS-1-00283,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c(F)c1,PSDODAYLTLMZRJ-UHFFFAOYSA-N,1,1,0.757,23,86,404.779,4.484,4,0.492,0.79,1.0,0.9968730724419163,0.9985264889315332,0.9833287643067644,0.9894112809265986,0.992034901651703
EOS-1-00284,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4Cl)n23)cc1,NXTPXQOKJCYLOT-UHFFFAOYSA-N,1,1,0.851,48,101,393.809,4.077,4,0.51,0.82,1.0,0.9910646974162155,0.9943543965458159,0.947621821670893,0.9580906037968611,0.9727828798574463
EOS-1-00285,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1F,VJDMCFRPMYYRON-UHFFFAOYSA-N,1,1,0.869,23,627,407.207,4.955,4,0.48,0.83,1.0,0.9959906791857994,0.9962305530806662,0.9910989651154821,0.9966588993214995,0.9949947741758618
EOS-1-00286,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1F,VIPGRQJRAJEMJV-UHFFFAOYSA-N,1,1,0.869,23,627,374.297,3.927,4,0.508,0.8,1.0,0.995151120553766,0.9894969501747652,0.9909533273935988,0.9930693578233157,0.9921676889863614
EOS-1-00298,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(C(F)(F)F)c4)n23)cc1,CNAOAFMQLIKQJC-UHFFFAOYSA-N,1,1,0.809,48,64,436.796,5.224,4,0.402,0.87,1.0,0.9993060790898499,0.9986892605030498,0.9976954972243164,0.9974556233294497,0.9982866150366665
EOS-1-00299,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,QOUWNRFNKLLHFD-UHFFFAOYSA-N,1,1,0.812,23,721,400.816,4.653,4,0.489,0.84,1.0,0.9949883489822493,0.9945771365910493,0.9692361729833459,0.9702299362620793,0.9822578987046809
EOS-1-00300,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F,DWDFYORPAFLIFP-UHFFFAOYSA-N,1,1,0.818,48,231,382.826,4.514,4,0.509,0.86,1.0,0.9929151531766157,0.9930779247481324,0.9283034062093071,0.9327496401891577,0.9617615310808032
EOS-1-00303,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)c(F)c1F,WGUZYUJMOLEDKG-UHFFFAOYSA-N,1,1,0.765,23,86,449.23,4.593,4,0.419,0.8,1.0,0.9985607566307998,0.9972071825097663,0.9767236652731136,0.9768778699198136,0.9873423685833733
EOS-1-00306,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ZCMIEDRYIPWVSH-UHFFFAOYSA-N,1,1,0.738,23,17,389.217,4.816,4,0.502,0.88,1.0,0.994996915907066,0.9946885066136659,0.9713008018641628,0.987183880474265,0.9870425262147899
EOS-1-00307,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Br)c4)n23)cc1,PUZSBOWFXMPUFW-UHFFFAOYSA-N,1,1,0.887,23,86,464.15,5.482,4,0.393,0.84,1.0,0.9980124734425331,0.9986292920293331,0.9532674251250771,0.9735025015420464,0.9808529230347475
EOS-1-00308,FC(F)(F)Oc1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,XDJCNNYJZXTLDL-UHFFFAOYSA-N,1,1,0.694,48,444,420.778,4.922,4,0.458,0.88,1.0,0.9988434651497499,0.9955280652456994,0.9950311836063327,0.9934977040641492,0.9957251045164828
EOS-1-00316,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1C(F)(F)F,FHNKEMMFWUCQJH-UHFFFAOYSA-N,1,1,0.806,48,240,436.796,5.224,4,0.402,0.81,1.0,0.9988006305256665,0.9994859845109999,0.9977983003221164,0.9974641902542664,0.9983872764032623
EOS-1-00320,COc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1Cl,BZLLBUUQCBFDPI-UHFFFAOYSA-N,1,1,0.845,48,40,446.841,4.676,4,0.391,0.82,1.0,0.9983637173600165,0.9936005071619491,0.9674371187718457,0.9387978891097252,0.9745498081008841
EOS-1-00322,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(Br)cc3)n12,MESJRVAMYXOLIL-UHFFFAOYSA-N,1,1,0.851,48,231,429.705,4.829,4,0.456,0.83,1.0,0.9939945857035158,0.9960849153587829,0.8828815708313343,0.9208073469947228,0.9484421047220889
EOS-1-00323,Cc1ccccc1CCOc1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,INUNTAVIIIGRIS-UHFFFAOYSA-N,1,1,0.821,48,101,382.826,4.514,4,0.509,0.83,1.0,0.9920241929956822,0.9914759098074155,0.914459255705572,0.9187427181139058,0.954175519155644
EOS-1-00325,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1F,PDRPDQKQTOSUOE-UHFFFAOYSA-N,1,1,0.818,48,231,366.371,3.999,4,0.536,0.88,1.0,0.9907562881228155,0.9882890137756151,0.9265643204715236,0.9153930505105887,0.9552506682201356
EOS-1-00328,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1Cl,OQGMYVDINRGECN-UHFFFAOYSA-N,1,1,0.824,23,86,400.816,4.653,4,0.489,0.8,1.0,0.9912017682132822,0.995536632170516,0.9695617161263793,0.9714892742101295,0.9819473476800769
EOS-1-00332,CCc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,QSPTYFXVOMUTNC-UHFFFAOYSA-N,1,1,0.833,48,231,396.853,4.768,4,0.471,0.81,1.0,0.9920327599204989,0.9984493866081832,0.912548831471455,0.9110324857789048,0.9535158659447605
EOS-1-00333,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,RCGLIDPTDBHIMG-UHFFFAOYSA-N,1,1,0.829,48,231,377.354,3.563,4,0.532,0.83,1.0,0.9877664313617983,0.9908505242957988,0.9428329106983757,0.9436981701048591,0.9662870091152079
EOS-1-00335,COc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1,GKMDRRFKQJZIEM-UHFFFAOYSA-N,1,1,0.836,48,101,398.825,4.214,4,0.486,0.84,1.0,0.9941402234253992,0.9866270303611816,0.9231803851689397,0.8954064149133028,0.9498385134672058
EOS-1-00338,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c(F)c1,IXCCAOSPOTZGNS-UHFFFAOYSA-N,1,1,0.838,23,86,428.254,4.73,4,0.46,0.85,1.0,0.9940031526283325,0.9954423959975327,0.9776403262284971,0.9859245425262148,0.9882526043451443
EOS-1-00340,Oc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,GKEJWDRHUGABII-UHFFFAOYSA-N,1,1,0.824,48,948,384.798,3.911,4,0.564,0.76,1.0,0.9912103351380989,0.9872181481735316,0.9164810499623055,0.9175604824892056,0.9531175039407853
EOS-1-00341,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1F,MYBFCCWBNGITTD-UHFFFAOYSA-N,1,1,0.8,23,86,419.243,4.564,4,0.513,0.71,1.0,0.9960677815091494,0.9928894524021658,0.9640703173188953,0.9731683914741964,0.9815489856761017
EOS-1-00342,Clc1ccc(-c2nnc3cncc(OCCc4ccc5ccccc5c4)n23)cc1,IZZGQWGUXLFUBY-UHFFFAOYSA-N,1,1,0.786,79,824,400.869,5.219,5,0.406,0.89,1.0,0.9976612295250497,0.9992375436913166,0.8933246521828524,0.9302309642930574,0.955113597423069
EOS-1-00347,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)cc(F)c1Cl,KOJMNDJBVONVRD-UHFFFAOYSA-N,1,1,0.859,23,101,386.789,4.344,4,0.479,0.8,1.0,0.9884603522719485,0.9950054828318826,0.9558546364197108,0.9641388527174286,0.9758648310602427
EOS-1-00348,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Br)c4)n23)cc1Cl,RBROKXWFNIHFIB-UHFFFAOYSA-N,1,1,0.877,23,86,447.695,4.968,4,0.433,0.78,1.0,0.9956994037420328,0.9962391200054829,0.9488383249948599,0.9635734356795285,0.976087571105476
EOS-1-00351,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1,JZMSUNQSNGETMP-UHFFFAOYSA-N,1,1,0.851,48,101,410.264,4.591,4,0.481,0.82,1.0,0.990507847303132,0.9960934822835995,0.9482300733328765,0.9666061270646289,0.9753593824960591
EOS-1-00357,Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,VJBRUUROGIXOMZ-UHFFFAOYSA-N,1,1,0.859,48,231,366.808,3.772,4,0.582,0.81,1.0,0.9869868412034816,0.9866355972859983,0.8105167569049414,0.8270423548762936,0.9027953875676787
EOS-1-00358,Fc1ccc(-c2nnc3cncc(OCCc4cccc(C(F)(F)F)c4)n23)cc1F,VFFIQWDTFRRSCW-UHFFFAOYSA-N,1,1,0.841,48,240,420.341,4.71,4,0.439,0.79,1.0,0.9980638749914331,0.9937204441093825,0.9982609142622164,0.997241450209033,0.9968216708930162
EOS-1-00363,N#Cc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1Cl,AOTIGCUBVGIKMM-UHFFFAOYSA-N,1,1,0.829,48,231,393.809,4.077,4,0.51,0.78,1.0,0.9875094236172983,0.9958364745390994,0.9494808443561099,0.9580991707216777,0.9727314783085463
EOS-1-00365,Clc1ccc(-c2nnc3cncc(OCCc4cccc5ccccc45)n23)cc1,KCHKWYOPFRYPLY-UHFFFAOYSA-N,1,1,0.726,79,824,400.869,5.219,5,0.406,0.85,1.0,0.9988520320745665,0.9989205674730999,0.8828901377561511,0.9239599753272565,0.9511556781577686
EOS-1-00366,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1,XQXRNENKZNDZPH-UHFFFAOYSA-N,1,1,0.887,48,231,409.287,4.484,4,0.488,0.86,1.0,0.9877749982866151,0.9872267150983483,0.7915667192104722,0.7649492838050853,0.8828794291001302
EOS-1-00372,COc1c(CCOc2cncc3nnc(-c4ccc(C#N)cc4)n23)ccc(F)c1F,MKYWXPLGFOODOO-UHFFFAOYSA-N,1,1,0.733,48,101,407.38,3.571,4,0.486,0.75,1.0,0.9968816393667329,0.9902422726338154,0.9322441916249743,0.8830015077787677,0.9505924028510726
EOS-1-00379,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Br)c4)n23)cc1Cl,LKROMOLVOBCFOM-UHFFFAOYSA-N,1,1,0.889,23,86,482.14,5.621,4,0.371,0.84,1.0,0.9983722842848332,0.9989291343979165,0.9799962305530807,0.9896168871221986,0.9917286340895073
EOS-1-00386,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,NBBPYXGDEGGCAH-UHFFFAOYSA-N,1,1,0.877,48,948,399.281,5.028,4,0.473,0.86,1.0,0.9881947776026317,0.9914844767322322,0.9307792474813241,0.9437067370296758,0.9635413097114659
EOS-1-00390,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(F)c1F,GHUYBGCPPJWEIX-UHFFFAOYSA-N,1,1,0.776,23,240,436.34,4.432,4,0.317,0.76,1.0,0.9987149612774998,0.9992032759920499,0.9928894524021658,0.990430744979782,0.9953096086628743
EOS-1-00395,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4Br)n23)cc1,PPJVQCFRLPFSQC-UHFFFAOYSA-N,1,1,0.792,48,40,461.266,4.777,4,0.397,0.84,1.0,0.9973014186827497,0.9928980193269824,0.9546552669453773,0.9396974162154753,0.9711380302926461
EOS-1-00396,Fc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)Cl)cc4)n23)cc1,ANVIQLVELAWULP-UHFFFAOYSA-N,1,1,0.821,48,40,434.805,4.72,4,0.394,0.83,1.0,0.997729764923583,0.9968559385922829,0.992341169213899,0.986952573504215,0.9934698615584949
EOS-1-00397,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1F,CLVKQBAYGNHUNO-UHFFFAOYSA-N,1,1,0.8,23,370,395.344,3.702,4,0.515,0.78,1.0,0.9907648550476321,0.9938660818312659,0.9745133986704133,0.9735110684668631,0.9831638510040436
EOS-1-00406,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,ZXXWSLJGUGZZCT-UHFFFAOYSA-N,1,1,0.768,90,400,376.807,3.333,4,0.53,0.82,1.0,0.9893170447536153,0.9937290110341992,0.7622849701871016,0.7887996024946885,0.8835326571174011
EOS-1-00407,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Br)n23)cc1F,SKIDHWUJKHRWDI-UHFFFAOYSA-N,1,1,0.836,23,86,465.685,5.107,4,0.411,0.79,1.0,0.9945171681173326,0.9984579535329998,0.9741364539784799,0.9825320402988144,0.9874109039819067
EOS-1-00408,Fc1cc(Br)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,ZWMMWUBKFKEJNJ-UHFFFAOYSA-N,1,1,0.891,23,370,447.695,4.968,4,0.433,0.81,1.0,0.9924268384620657,0.995279624426016,0.9428414776231924,0.9610804605578781,0.972907100267288
EOS-1-00413,Fc1ccc(-c2nnc3cncc(OCc4ccccc4F)n23)cc1F,OIMNBLANOJMAHK-UHFFFAOYSA-N,1,1,0.681,23,17,356.307,3.788,4,0.558,0.83,1.0,0.9907734219724488,0.987543691316565,0.9759355081899801,0.9790967034473306,0.9833373312315812
EOS-1-00415,Clc1ccc(-c2nnc3cncc(OCc4ccccc4Cl)n23)cc1,QUXMTPJELGDECZ-UHFFFAOYSA-N,1,1,0.754,48,17,371.227,4.677,4,0.523,0.88,1.0,0.9889829346857651,0.992546775409499,0.9414279350284422,0.9719090535261462,0.9737166746624631
EOS-1-00418,Brc1ccc(-c2nnc3cncc(OCCc4cccc(Br)c4)n23)cc1,KDWMCWKYDQYYDG-UHFFFAOYSA-N,1,1,0.889,48,231,474.156,4.938,4,0.412,0.84,1.0,0.9920413268453157,0.9923754369131657,0.8454612432321293,0.8668699883489822,0.9241869988348982
EOS-1-00419,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1F,ZVXLONXQLZRBCK-UHFFFAOYSA-N,1,1,0.812,23,721,417.271,5.167,4,0.45,0.86,1.0,0.9950054828318826,0.9938746487560826,0.969570283051196,0.9764409567541635,0.9837228428483312
EOS-1-00421,COc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1F,YGYBTHYSKVUYNM-UHFFFAOYSA-N,1,1,0.775,23,86,416.815,4.353,4,0.467,0.84,1.0,0.9940117195531492,0.9917157837022822,0.9616201768213282,0.9476903570694264,0.9737595092865465
EOS-1-00422,FC(F)(F)Oc1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,KMXNBICPAHAIJQ-UHFFFAOYSA-N,1,1,0.73,48,40,434.805,4.965,4,0.429,0.84,1.0,0.997241450209033,0.997395654855733,0.990173737235282,0.9837999451716811,0.9921526968679323
EOS-1-00423,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)c(F)c4)n23)cc1Cl,LIRDUXBGRBGYHA-UHFFFAOYSA-N,1,1,0.838,23,86,452.795,4.946,4,0.371,0.79,1.0,0.9964190254266329,0.9976183949009664,0.9928980193269824,0.9935062709889658,0.9951104276608869
EOS-1-00424,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,QSCBJSRINBDHJP-UHFFFAOYSA-N,1,1,0.859,48,396,380.835,4.075,4,0.504,0.9,1.0,0.9860530463984648,0.9761325474607635,0.8325594544582277,0.7908984990747722,0.896410886848057
EOS-1-00427,Fc1ccc(C(F)COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1,KJDOICZMYZVCNH-UHFFFAOYSA-N,1,1,0.707,23,86,388.324,4.298,4,0.479,0.76,1.0,0.9960763484339662,0.9972757179082996,0.9938746487560826,0.9959735453361661,0.9958000651086286
EOS-1-00431,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)c4)n23)cc1,QAGDLIXEXGTGEE-UHFFFAOYSA-N,1,1,0.819,48,40,451.26,5.321,4,0.381,0.72,1.0,0.9982866150366665,0.9981409773147831,0.9845109999314646,0.9874751559180317,0.9921034370502365
EOS-1-00432,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4F)n23)cc1F,VVQVVHKLBVBQNR-UHFFFAOYSA-N,1,1,0.836,23,86,449.23,4.593,4,0.447,0.8,1.0,0.9920498937701323,0.9937375779590158,0.9755756973476801,0.9784370502364471,0.9849500548283189
EOS-1-00433,CCOc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,LIZRHXYLARUJND-UHFFFAOYSA-N,1,1,0.833,48,396,394.862,4.465,4,0.463,0.87,1.0,0.9877835652114317,0.9934206017407992,0.8083150572270578,0.7699695017476527,0.8898721814817354
EOS-1-00437,FC(F)(F)c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,RXESNETYTMWPGF-UHFFFAOYSA-N,1,1,0.725,48,17,404.779,5.043,4,0.478,0.89,1.0,0.9968902062915496,0.993086491672949,0.9975155918031663,0.9975241587279831,0.996254112123912
EOS-1-00442,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)c(Cl)c4)n23)cc1F,HZMBIKMMJAKWJV-UHFFFAOYSA-N,1,1,0.838,23,86,452.795,4.946,4,0.371,0.8,1.0,0.9957079706668495,0.9972842848331163,0.9929065862517991,0.9935148379137825,0.9948534199163869
EOS-1-00445,FC(F)(F)c1cccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)c1,UCBSQVPOHSLVRK-UHFFFAOYSA-N,1,1,0.838,48,64,463.257,5.194,4,0.409,0.84,1.0,0.9971215132615996,0.9925553423343156,0.9938832156808992,0.9880919745048318,0.9929130114454116
EOS-1-00446,Oc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1Cl,WFTAHWCRLAAFNX-UHFFFAOYSA-N,1,1,0.794,48,231,384.798,3.911,4,0.564,0.84,1.0,0.9841511890891645,0.9859845109999315,0.9125573983962717,0.9219124802960729,0.9511513946953601
EOS-1-00453,Fc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)cc1F,YXVKZNAHLVISJD-UHFFFAOYSA-N,1,1,0.8,48,40,436.34,4.59,4,0.414,0.8,1.0,0.9960849153587829,0.9954509629223494,0.9966760331711328,0.9942087588239326,0.9956051675690494
EOS-1-00454,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c5ccccc45)n23)cc1,SDRUJGGGINCUAT-UHFFFAOYSA-N,1,1,0.707,57,660,402.404,4.844,5,0.422,0.78,1.0,0.9989548351723665,0.9969758755397162,0.9440836817216092,0.954895140840244,0.973727383318484
EOS-1-00457,N#CCOc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,LCWUPZFZPGDYKS-UHFFFAOYSA-N,1,1,0.757,48,396,405.845,3.969,4,0.462,0.79,1.0,0.9884689191967652,0.9961020492084162,0.8751542046467,0.8587913782468645,0.9296291378246865
EOS-1-00458,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c2ccccc12,KMDUFVQCKBSFFX-UHFFFAOYSA-N,1,1,0.707,57,660,418.859,5.359,5,0.385,0.74,1.0,0.9996059214584333,0.99966588993215,0.9446747995339593,0.9646785689808787,0.9771562949763553
EOS-1-00459,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c(F)c1,HHELZXXWPMGNPV-UHFFFAOYSA-N,1,1,0.812,23,627,374.297,3.927,4,0.508,0.79,1.0,0.989711123295182,0.9848194092248647,0.9886316907682818,0.9914159413336988,0.9886445411555068
EOS-1-00461,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cc1,XTPAAURHRJCAAT-UHFFFAOYSA-N,1,1,0.722,23,101,395.344,3.702,4,0.482,0.79,1.0,0.9927695154547324,0.9923840038379823,0.9765351929271469,0.9726715098348296,0.9835900555136727
EOS-1-00464,Fc1cc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)ccc1Cl,ZVJMACCUKDBCKO-UHFFFAOYSA-N,1,1,0.8,48,40,452.795,5.104,4,0.381,0.82,1.0,0.997395654855733,0.9977468987732163,0.9967531354944829,0.9957422383661161,0.996909481872387
EOS-1-00465,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)cc4)n23)cc1,YHIJRAKLESTRMC-UHFFFAOYSA-N,1,1,0.866,48,40,450.367,5.033,4,0.37,0.86,1.0,0.9963247892536495,0.9951682544033994,0.9984065519840998,0.9954937975464327,0.9963483482968953
EOS-1-00466,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1,JLNCATHCEFMFOY-UHFFFAOYSA-N,1,1,0.829,48,231,410.264,4.591,4,0.481,0.8,1.0,0.9856418340072648,0.9943629634706326,0.9434411623603591,0.965184017545062,0.9721574943458297
EOS-1-00471,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)cc1,IDTXYLCLNOADFD-UHFFFAOYSA-N,1,1,0.773,48,17,334.354,3.818,4,0.569,0.94,1.0,0.9882033445274484,0.9636676718525118,0.8828987046809678,0.8637002261668152,0.9246174868069358
EOS-1-00474,FC(F)(Cl)Oc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,YJRCVUOYKYUIFM-UHFFFAOYSA-N,1,1,0.821,48,40,451.26,5.234,4,0.36,0.84,1.0,0.9978582687958331,0.9979953395928998,0.9923497361387157,0.9906020834761154,0.994701357000891
EOS-1-00475,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4Br)n23)cc1Cl,PQSKDVZSOJXBHW-UHFFFAOYSA-N,1,1,0.821,23,86,447.695,4.968,4,0.433,0.82,1.0,0.9901309026111987,0.9941487903502159,0.945351586594476,0.9610890274826948,0.9726800767596463
EOS-1-00476,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4F)n23)cc1Cl,OCEOQMPSKXQWFR-UHFFFAOYSA-N,1,1,0.836,23,86,465.685,5.107,4,0.411,0.8,1.0,0.9936433417860325,0.9959649784113495,0.9759440751147967,0.9834230004797478,0.9872438489479817
EOS-1-00478,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1OC(F)F,JKPWSNULRPAWFW-UHFFFAOYSA-N,1,1,0.688,48,240,434.805,4.807,4,0.418,0.81,1.0,0.9967188677952162,0.9965303954492495,0.9840398190665479,0.9830974573367144,0.990096634911932
EOS-1-00484,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,PKQNTIZGUBKQLK-UHFFFAOYSA-N,1,1,0.771,23,281,387.777,3.739,4,0.488,0.83,1.0,0.9895826194229319,0.9911075320402988,0.9212014255362895,0.9327582071139744,0.9586624460283737
EOS-1-00485,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(OC(F)(F)F)c4)n23)cc1,GOHIBLLZPDLFPH-UHFFFAOYSA-N,1,1,0.775,48,240,436.34,4.59,4,0.414,0.79,1.0,0.9937889795079159,0.9975155918031663,0.9960163799602495,0.992700980056199,0.9950054828318826
EOS-1-00487,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1OC(F)(F)F,GZZAQKDUYRWIOD-UHFFFAOYSA-N,1,1,0.775,48,240,452.795,5.104,4,0.381,0.82,1.0,0.9957165375916661,0.9990919059694332,0.9960249468850662,0.994714207388116,0.9963868994585704
EOS-1-00490,Cc1ccccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,IWONSVUMSLRJAF-UHFFFAOYSA-N,1,1,0.742,48,17,350.809,4.332,4,0.549,0.93,1.0,0.9867212665341649,0.9857617709546981,0.8670755945445823,0.8801744225892674,0.9299332636556782
EOS-1-00495,COc1cccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)c1,AVTUYNJRZTUJDV-UHFFFAOYSA-N,1,1,0.812,48,396,425.286,4.184,4,0.464,0.84,1.0,0.9884774861215818,0.9869268727297649,0.7671852511822356,0.687255842642725,0.8574613631690767
EOS-1-00501,FC(F)(F)c1cccc(CCOc2cncc3nnc(-c4ccccc4)n23)c1,HFDFOOXBEKIWEB-UHFFFAOYSA-N,1,1,0.825,48,135,384.361,4.432,4,0.511,0.85,1.0,0.9901394695360154,0.9790281680487972,0.9884860530463985,0.9731769583990131,0.982707662257556
EOS-1-00502,Oc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12,NPMRDEIDYBUUCA-UHFFFAOYSA-N,1,1,0.775,23,86,402.788,4.05,4,0.545,0.77,1.0,0.9833201973819478,0.9877921321362484,0.9532759920498938,0.9593156740456446,0.9709259989034336
EOS-1-00504,COc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1Cl,UMBNNWUNAXDLRO-UHFFFAOYSA-N,1,1,0.775,23,86,416.815,4.353,4,0.467,0.81,1.0,0.9930522239736824,0.9880491398807484,0.9616287437461449,0.9497806867246933,0.9731276985813172
EOS-1-00505,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)cc1,QXZRKIPIRITXAD-UHFFFAOYSA-N,1,1,0.91,79,497,453.452,5.23,5,0.352,0.76,1.0,0.9984922212322664,0.9974042217805497,0.9753101226783634,0.9731855253238297,0.9860980227537524
EOS-1-00506,COc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,LEUYLHGPRXNBCB-UHFFFAOYSA-N,1,1,0.74,48,40,446.841,4.676,4,0.391,0.83,1.0,0.9941487903502159,0.9925639092591323,0.9519481187033103,0.9196850798437393,0.9645864745390993
EOS-1-00507,Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1F,CDJYPZJMXBRMRX-UHFFFAOYSA-N,1,1,0.797,48,135,350.353,3.258,4,0.598,0.84,1.0,0.9789424988006306,0.9675656226440956,0.7854670687410047,0.764957850729902,0.8742332602289082
EOS-1-00508,Cc1ccccc1CCOc1cncc2nnc(-c3ccc(F)cc3F)n12,YRQYDOFMPYCOMT-UHFFFAOYSA-N,1,1,0.824,48,906,366.371,3.999,4,0.536,0.82,1.0,0.977409019258447,0.9853676924131314,0.8945582893564527,0.8859228291412514,0.9358144575423206
EOS-1-00509,Fc1ccc(-c2nnc3cncc(OCCc4cnc5ccccc5c4)n23)cc1,JSIXYOXHLHHGLA-UHFFFAOYSA-N,1,1,0.688,91,660,385.402,4.1,5,0.456,0.87,1.0,0.9942858611472826,0.9887344938660818,0.7622935371119183,0.80003084092934,0.8863361832636556
EOS-1-00511,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1OC(F)F,IWIOVFQBALBSCH-UHFFFAOYSA-N,1,1,0.838,23,86,469.25,5.46,4,0.36,0.81,1.0,0.9965303954492495,0.997626961825783,0.993009389349599,0.9952196559522993,0.9955966006442327
EOS-1-00512,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1C(F)F,PMCSPZRPCIQVOA-UHFFFAOYSA-N,1,1,0.833,48,240,418.806,5.143,4,0.435,0.82,1.0,0.9933692001918991,0.9948512781851826,0.9894455486258653,0.9904393119045988,0.9920263347268864
EOS-1-00513,Cc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1F,OTAPWUCMNZOFJR-UHFFFAOYSA-N,1,1,0.775,48,231,382.826,4.514,4,0.509,0.86,1.0,0.9848194092248647,0.9898910287163319,0.922169488040573,0.9312075937221574,0.9570218799259818
EOS-1-00514,COc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1F,LNXGUNVBJSPJJT-UHFFFAOYSA-N,1,1,0.775,23,86,400.36,3.839,4,0.492,0.8,1.0,0.992058460694949,0.9831231581111645,0.9611918305804948,0.9345915290247413,0.9677412446028375
EOS-1-00518,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Br)n23)c1,KVDUSJDNUDYPOT-UHFFFAOYSA-N,1,1,0.829,48,231,454.715,4.7,4,0.437,0.78,1.0,0.9869954081282982,0.9948598451099994,0.9221780549653896,0.9388064560345418,0.9607099410595572
EOS-1-00519,Fc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)c(F)c4)n23)cc1,DIMARRMXRMKFDK-UHFFFAOYSA-N,1,1,0.761,48,240,436.34,4.59,4,0.414,0.79,1.0,0.9920670276197656,0.9967017339455829,0.9961448838324994,0.9928894524021658,0.9944507744500034
EOS-1-00520,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(Cl)c1,ROWPSWMNJUNJEO-UHFFFAOYSA-N,1,1,0.792,48,40,416.815,4.668,4,0.438,0.83,1.0,0.9870039750531149,0.9898995956411486,0.9595384140908779,0.9568741004728942,0.9733290213145089
EOS-1-00523,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1OC(F)(F)F,FDFVFWFBBWSLRX-UHFFFAOYSA-N,1,1,0.761,48,240,452.795,5.104,4,0.381,0.8,1.0,0.9942944280720992,0.9986978274278665,0.9961534507573162,0.9949283805085326,0.9960185216914536
EOS-1-00525,OCc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1Cl,XUAFUOBBONZMOJ-UHFFFAOYSA-N,1,1,0.786,48,135,380.835,3.559,4,0.553,0.87,1.0,0.9786854910561305,0.9798677266808307,0.8406723322596121,0.8485367692413132,0.9119405798094716
EOS-1-00529,FC(F)(F)COc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,YVPDBVWREZFYKV-UHFFFAOYSA-N,1,1,0.826,48,40,414.387,4.354,4,0.45,0.84,1.0,0.9905164142279488,0.9704955109313961,0.972431635939963,0.9279007607429237,0.965336080460558
EOS-1-00532,Clc1ccc(CCOc2cncc3nnc(-c4ccc5c(c4)OCO5)n23)cc1,LRRISSWKTZSMAA-UHFFFAOYSA-N,1,1,0.836,48,396,394.818,3.795,5,0.513,0.86,1.0,0.9877921321362484,0.9412651634569255,0.8216194914673429,0.7956959769721061,0.8865931910081557
EOS-1-00533,FC(F)(Cl)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,UJZQAODXVZCVSB-UHFFFAOYSA-N,1,1,0.873,48,240,435.261,5.354,4,0.383,0.86,1.0,0.9943029949969159,0.9932920978685491,0.9956822698923994,0.9959821122609828,0.9948148687547118
EOS-1-00539,COc1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)cc1,GIKLSRRISWYSIG-UHFFFAOYSA-N,1,1,0.844,48,576,371.4,3.293,4,0.517,0.9,1.0,0.9867298334589816,0.9412737303817422,0.8144404084709752,0.6984870810773764,0.8602327633472688
EOS-1-00540,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cn1,IQKIHDICPIWSIW-UHFFFAOYSA-N,1,1,0.847,48,240,419.794,4.48,4,0.477,0.87,1.0,0.9808443561099308,0.9837228428483311,0.9828061818929477,0.9656808991844288,0.9782635700089097
EOS-1-00544,Fc1cccc(CCOc2cncc3nnc(-c4cccc(OC(F)F)c4)n23)c1,UMGWYRQEGDWRRN-UHFFFAOYSA-N,1,1,0.722,48,40,400.36,4.153,4,0.466,0.83,1.0,0.9884860530463985,0.9889658008361318,0.964978411349462,0.9536186690425604,0.9740122335686382
EOS-1-00549,Oc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,MESVXPCPKNYFBZ-UHFFFAOYSA-N,1,1,0.771,48,231,350.353,3.258,4,0.598,0.76,1.0,0.9841597560139812,0.9785826879583305,0.7958073469947228,0.7795644575423206,0.8845285621273388
EOS-1-00550,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4Cl)n23)cc1F,OZMWFXQWFZIHIN-UHFFFAOYSA-N,1,1,0.836,23,86,465.685,5.107,4,0.411,0.77,1.0,0.9912189020629155,0.9950140497566994,0.9755842642724968,0.9834315674045645,0.9863121958741691
EOS-1-00556,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c(Cl)c1,MGQLWVCBGFCDME-UHFFFAOYSA-N,1,1,0.686,23,627,390.752,4.441,4,0.517,0.77,1.0,0.9882119114522651,0.9918785552737989,0.9897539579192653,0.9949369474333494,0.9911953430196696
EOS-1-00558,COc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4Cl)n23)cc1,CPCDIQSPASZQQB-UHFFFAOYSA-N,1,1,0.838,48,396,398.825,4.214,4,0.486,0.85,1.0,0.9799019943800973,0.9814697416215475,0.9059094647385375,0.8830100747035844,0.9375728188609416
EOS-1-00561,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c(Cl)c1,VMTUYZYDDJRZPN-UHFFFAOYSA-N,1,1,0.824,23,906,403.244,4.859,4,0.478,0.84,1.0,0.9810670961551642,0.9906963196490988,0.9526077719141937,0.9777174285518471,0.9755221540675759
EOS-1-00562,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)cc1,CQZALHCIFDKAPL-UHFFFAOYSA-N,1,1,0.91,79,497,469.907,5.744,5,0.317,0.79,1.0,0.9991690082927832,0.9986378589541498,0.97531868960318,0.9784456171612638,0.9878927935028442
EOS-1-00564,Cc1cc(F)ccc1-c1nnc2cncc(OCCc3ccc(F)c(Cl)c3)n12,LEXKUNOQLAEXHC-UHFFFAOYSA-N,1,1,0.821,23,86,400.816,4.653,4,0.489,0.83,1.0,0.9836371736001644,0.984502433006648,0.9591272016996779,0.9635820026043451,0.9727122027277089
EOS-1-00565,Fc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)c(F)c1,DJBJOBGEUZHXOO-UHFFFAOYSA-N,1,1,0.803,48,240,436.34,4.59,4,0.414,0.81,1.0,0.9908847919950654,0.9936090740867658,0.995690836817216,0.9928980193269824,0.9932706805565075
EOS-1-00566,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1,KGRVEKYCRAVEOO-UHFFFAOYSA-N,1,1,0.903,83,497,444.897,5.872,5,0.328,0.88,1.0,0.9968045370433829,0.9991004728942499,0.9569597697210609,0.9681481735316291,0.9802532382975806
EOS-1-00567,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)cc1F,CMOQRWHHOVZOAK-UHFFFAOYSA-N,1,1,0.812,23,240,454.786,5.363,4,0.381,0.8,1.0,0.9958536083887328,0.9969844424645329,0.9991433075183332,0.9992204098416833,0.9978004420533206
EOS-1-00570,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccc1OC(F)F,BRWSEGMCXHYXNE-UHFFFAOYSA-N,1,1,0.822,48,40,466.366,4.755,4,0.332,0.79,1.0,0.9959992461106162,0.9967103008703996,0.9932149955451991,0.9867469673086149,0.9931678774587074
EOS-1-00572,COc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1Cl,ILZXUFKZMQQFGO-UHFFFAOYSA-N,1,1,0.794,48,396,415.28,4.728,4,0.456,0.82,1.0,0.9862929202933315,0.9899081625659654,0.915564389006922,0.9154016174354054,0.9517917723254061
EOS-1-00576,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(C(F)F)c4)n23)cc1F,DTQDQXRGWMNTCA-UHFFFAOYSA-N,1,1,0.812,23,86,420.341,4.768,4,0.422,0.77,1.0,0.9920755945445823,0.9929065862517991,0.9949112466588993,0.995228222877116,0.9937804125830991
EOS-1-00578,Oc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,MCQAGPKYYLFSKA-UHFFFAOYSA-N,1,1,0.771,48,231,366.808,3.772,4,0.582,0.79,1.0,0.9802532382975807,0.9817781509149476,0.7981546843944898,0.8212339798505929,0.8953550133644028
EOS-1-00579,O=[N+]([O-])c1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,LCJLMCFJSUPSNU-UHFFFAOYSA-N,1,1,0.778,48,231,395.806,3.974,4,0.362,0.86,1.0,0.9974042217805497,0.9728514152559797,0.6241518744431499,0.48339729970529777,0.7694512027962443
EOS-1-00580,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1F,WXHQSQHYSJGGEP-UHFFFAOYSA-N,1,1,0.771,23,281,387.777,3.739,4,0.488,0.8,1.0,0.9889915016105819,0.9857703378795147,0.9200705914604893,0.932766774038791,0.9568998012473442
EOS-1-00582,Cc1cc(F)ccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12,AQNAXDVAMDXCCP-UHFFFAOYSA-N,1,1,0.821,23,86,384.361,4.139,4,0.519,0.79,1.0,0.9810756630799808,0.9803646083201973,0.9586046192858612,0.9536272359673772,0.9684180316633542
EOS-1-00583,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(F)c1,KXOKXUJDJMVODQ-UHFFFAOYSA-N,1,1,0.776,48,231,382.826,4.514,4,0.509,0.85,1.0,0.9786940579809471,0.990250839558632,0.9125659653210884,0.9239685422520731,0.9513698512781852
EOS-1-00585,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1F,PAGXPJOLKSYKRZ-UHFFFAOYSA-N,1,1,0.908,83,497,462.887,6.011,5,0.31,0.78,1.0,0.9994688506613666,0.9995373860599,0.9790710026728805,0.984759440751148,0.9907091700363237
EOS-1-00590,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,UWWXGKXLJFYATI-UHFFFAOYSA-N,1,1,0.882,48,948,415.28,4.728,4,0.456,0.86,1.0,0.9792509080940306,0.9781800424919471,0.9257418956891235,0.915410184360222,0.9496457576588309
EOS-1-00591,Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1Cl,QNZHQNUQVWKRNM-UHFFFAOYSA-N,1,1,0.797,48,135,366.808,3.772,4,0.582,0.85,1.0,0.9704098416832294,0.9723459666917963,0.787343225275855,0.8107737646494414,0.8852181995750804
EOS-1-00592,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C5CC5)cc4)n23)cc1,OXFZNNGTEXEEFV-UHFFFAOYSA-N,1,1,0.833,48,378,374.419,4.429,5,0.501,0.87,1.0,0.9810842300047975,0.977203413062847,0.7981632513193064,0.8371427592351449,0.898398413405524
EOS-1-00595,Oc1c(F)cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F,DDDSLSLMXCJHFW-UHFFFAOYSA-N,1,1,0.791,23,370,402.788,4.05,4,0.545,0.81,1.0,0.9830203550133644,0.9845109999314646,0.9532845589747104,0.9562829826605441,0.9692747241450208
EOS-1-00596,CCOc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,XWLAPFOPJQHCCB-UHFFFAOYSA-N,1,1,0.833,48,396,378.407,3.951,4,0.487,0.91,1.0,0.9774175861832637,0.9807929545610308,0.8061476252484409,0.7229627852785964,0.8718302378178329
EOS-1-00599,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)c(F)c1,OTRKJYMCGKSHQE-UHFFFAOYSA-N,1,1,0.794,23,370,388.324,3.969,4,0.486,0.78,1.0,0.9867384003837982,0.9889743677609485,0.9785227194846138,0.9828233157425811,0.9842647008429855
EOS-1-00607,FCCOc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,KDHRNLHJWZNINL-UHFFFAOYSA-N,1,1,0.826,48,576,378.407,3.761,4,0.467,0.85,1.0,0.9844938660818313,0.9398087862380919,0.6784319100815571,0.6084744020286478,0.8028022411075321
EOS-1-00609,Clc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)c(Cl)c1,JDVSSZPXELNHQI-UHFFFAOYSA-N,1,1,0.743,48,135,385.254,4.72,4,0.499,0.89,1.0,0.9787026249057639,0.9808015214858474,0.8957490919059694,0.939705983140292,0.9487398053594681
EOS-1-00614,COc1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3F)n12,WSVRCOZOZBDEDF-UHFFFAOYSA-N,1,1,0.767,48,906,398.825,4.214,4,0.486,0.82,1.0,0.9792594750188472,0.9863528887670482,0.8751627715715167,0.8537111918305805,0.9236215817969982
EOS-1-00616,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(C#N)cc4F)n23)cc1,MYWLMJDOWYYHMB-UHFFFAOYSA-N,1,1,0.757,48,101,384.374,3.295,4,0.523,0.81,1.0,0.9789510657254472,0.987235282023165,0.9387036529367419,0.9290915632924406,0.9584953909944487
EOS-1-00617,N#Cc1cccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c1,PVDIPLLDQTZJOL-UHFFFAOYSA-N,1,1,0.829,48,948,393.809,4.077,4,0.51,0.83,1.0,0.9679854019601124,0.9761411143855802,0.9546638338701939,0.9606264135425947,0.9648541909396203
EOS-1-00618,COc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c1,GBSXNDWYTWJRNO-UHFFFAOYSA-N,1,1,0.814,48,101,415.28,4.728,4,0.456,0.8,1.0,0.9813755054485642,0.9895055170995819,0.9173891439928723,0.9121975875539716,0.9501169385237476
EOS-1-00619,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c(Cl)c1,FUWRFKJAJGSCDM-UHFFFAOYSA-N,1,1,0.836,23,86,437.689,5.512,4,0.413,0.83,1.0,0.9906363511753821,0.9936176410115825,0.9817695839901309,0.9939774518538825,0.9900002570077444
EOS-1-00621,Cc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)cc1,GXESTGTVLOSAOO-UHFFFAOYSA-N,1,1,0.776,48,40,414.387,4.62,4,0.461,0.81,1.0,0.989968131039682,0.9859930779247481,0.9855732986087314,0.9562915495853609,0.9794565142896307
EOS-1-00625,N#Cc1cccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,BCBHZBOKTVNHAK-UHFFFAOYSA-N,1,1,0.843,48,135,359.364,3.424,4,0.546,0.82,1.0,0.9598125556850113,0.9711808649167295,0.8852717428551847,0.8859313960660681,0.9255491398807485
EOS-1-00627,OCc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1F,MKVUPELCLMFHAL-UHFFFAOYSA-N,1,1,0.786,48,135,364.38,3.044,4,0.569,0.88,1.0,0.9802618052223974,0.9440494140223425,0.8391988211911452,0.810782331574258,0.8935730930025357
EOS-1-00628,COc1ccc(CCOc2cncc3nnc(-c4ccc(OCC(F)(F)F)cc4)n23)cc1,ODVUONVQJJNHDD-UHFFFAOYSA-N,1,1,0.829,48,40,444.413,4.363,4,0.402,0.85,1.0,0.9905249811527654,0.9620313892125283,0.97452196559523,0.898130697005003,0.9563022582413817
EOS-1-00631,CC(F)(F)OCc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,RILLVQJMZOCIFF-UHFFFAOYSA-N,1,1,0.783,48,576,410.424,4.542,4,0.427,0.83,1.0,0.9924354053868824,0.9751216503323967,0.9616373106709616,0.9099016517031047,0.9597740045233363
EOS-1-00636,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cc1,UNKQINJLMHZKMJ-UHFFFAOYSA-N,1,1,0.906,79,650,426.907,5.733,5,0.347,0.85,1.0,0.9941573572750325,0.9967188677952162,0.9048043314371873,0.9260246042080734,0.9554262901788774
EOS-1-00637,Fc1cccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,APWBOWNRVFCAGV-UHFFFAOYSA-N,1,1,0.824,48,906,368.799,4.205,4,0.529,0.9,1.0,0.9493095058597766,0.9840997875402645,0.9003752313069701,0.9354396545815914,0.9423060448221506
EOS-1-00641,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4F)n23)cc1F,YQTWNHSUHRLLCT-UHFFFAOYSA-N,1,1,0.771,23,240,438.331,4.849,4,0.418,0.76,1.0,0.9948512781851826,0.9937461448838325,0.9992118429168666,0.9989462682475498,0.9966888835583578
EOS-1-00642,COC(=O)c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,MYGDPAZXVWLQCB-UHFFFAOYSA-N,1,1,0.809,48,231,408.845,3.853,4,0.451,0.87,1.0,0.9789596326502639,0.9772119799876636,0.6865019532588582,0.5991964224521965,0.8104674970872455
EOS-1-00644,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccn5)cc4)n23)cc1,XLLWHOAOSAWWSV-UHFFFAOYSA-N,1,1,0.778,79,660,411.44,4.614,5,0.408,0.88,1.0,0.9912274689877322,0.9863614556918648,0.8290727160578438,0.8231272702350764,0.9074472277431294
EOS-1-00649,O=[N+]([O-])c1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)c1,DJUZWYMYGXJOTM-UHFFFAOYSA-N,1,1,0.778,48,231,379.351,3.46,4,0.376,0.86,1.0,0.9973099856075663,0.9355681584538414,0.6212305530806662,0.43041943663902404,0.7461320334452746
EOS-1-00652,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)c(Cl)c1,MMTYLFIDUYUZQL-UHFFFAOYSA-N,1,1,0.891,23,370,464.15,5.482,4,0.393,0.82,1.0,0.9863014872181481,0.995022616681516,0.942850044548009,0.9691933383592626,0.973341871701734
EOS-1-00653,Fc1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,KWDVHLLAVJFIPA-UHFFFAOYSA-N,1,1,0.783,34,254,340.745,4.376,4,0.555,0.94,1.0,0.9546638338701939,0.9845195668562813,0.9421475567130423,0.9671629771777123,0.9621234836543074
EOS-1-00655,Fc1ccc(F)c(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c1,FXYAVWJKIKEKPI-UHFFFAOYSA-N,1,1,0.768,23,86,421.234,4.998,4,0.455,0.88,1.0,0.9836457405249811,0.985376259337948,0.9817781509149476,0.9914245082585155,0.985556164759098
EOS-1-00658,COc1cc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)ccc1Cl,NBSMSCMANBCOOP-UHFFFAOYSA-N,1,1,0.767,23,370,416.815,4.353,4,0.467,0.78,1.0,0.9867469673086149,0.9866441642108149,0.9513141662668768,0.9430385168939758,0.9669359536700706
EOS-1-00663,Fc1cc(F)c(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c(F)c1,BUCSOKRQJPDKMX-UHFFFAOYSA-N,1,1,0.791,23,627,406.314,4.108,4,0.468,0.81,1.0,0.9836543074497979,0.987800699061065,0.9883489822493318,0.9907648550476321,0.9876422109519567
EOS-1-00665,OCc1ccc(-c2nnc3cncc(OCCc4cccc(C(F)(F)F)c4)n23)cc1,XSTJPICWQAJOJY-UHFFFAOYSA-N,1,1,0.712,48,240,414.387,3.924,4,0.518,0.83,1.0,0.9915787129052156,0.9668631348091289,0.9916215475292989,0.9739651154821465,0.9810071276814474
EOS-1-00666,COc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1F,PQASWPAZMLXWPU-UHFFFAOYSA-N,1,1,0.809,48,135,364.38,3.561,4,0.523,0.88,1.0,0.9713179357137962,0.9384038105681585,0.7915752861352888,0.7038242752381605,0.8512803269138509
EOS-1-00668,Oc1cccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c1,QACFNQVGKFFADJ-UHFFFAOYSA-N,1,1,0.821,48,231,350.353,3.258,4,0.598,0.83,1.0,0.9704184086080461,0.9594955794667946,0.7934857103694058,0.7795730244671373,0.875743180727846
EOS-1-00669,Fc1cc(F)c(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c(F)c1,ASBTUGADPWOYMU-UHFFFAOYSA-N,1,1,0.791,23,627,422.769,4.623,4,0.44,0.81,1.0,0.9865327941881982,0.9911160989651154,0.9884946199712151,0.9933006647933658,0.9898610444794737
EOS-1-00670,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(Br)c1,VGTOYOSJELWSHL-UHFFFAOYSA-N,1,1,0.792,48,40,461.266,4.777,4,0.397,0.86,1.0,0.9841683229387979,0.9857789048043314,0.9428586114728257,0.9260331711328902,0.9597097525872114
EOS-1-00671,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,GHJTVBITKDQGDQ-UHFFFAOYSA-N,1,1,1.0,48,948,430.251,4.628,4,0.327,0.81,1.0,0.9954081282982661,0.9222637242135563,0.8163336988554588,0.7204269755328627,0.863608131725036
EOS-1-00672,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,LONOLOPWQMUBPI-UHFFFAOYSA-N,1,1,0.775,23,281,387.777,3.739,4,0.488,0.84,1.0,0.9743848947981633,0.9878092659858817,0.902619765608937,0.922889109725173,0.9469257590295387
EOS-1-00673,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OCC(F)(F)F)cc4)n23)cc1,FYWHRDACQSFNEO-UHFFFAOYSA-N,1,1,0.797,48,40,432.377,4.493,4,0.403,0.86,1.0,0.9893256116784319,0.9872438489479817,0.9885031868960318,0.9702385031868961,0.9838277876773354
EOS-1-00676,Fc1ccc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)c(F)c4)n23)c(F)c1,VORLUCGUWPUNKG-UHFFFAOYSA-N,1,1,0.789,23,240,438.331,4.849,4,0.418,0.72,1.0,0.9943115619217325,0.9920670276197656,0.9989291343979165,0.9984065519840998,0.9959285689808787
EOS-1-00678,FC(F)(F)Oc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,WEENONYOCIHSNO-UHFFFAOYSA-N,1,1,0.775,48,240,469.25,5.618,4,0.367,0.78,1.0,0.9955966006442327,0.9984665204578165,0.9961620176821329,0.9962905215543828,0.9966289150846412
EOS-1-00679,Fc1ccc(CCOc2cncc3nnc(-c4ccc5c(c4)OCO5)n23)cc1F,JFTIRVMTHYWTGU-UHFFFAOYSA-N,1,1,0.8,48,948,396.353,3.42,5,0.515,0.78,1.0,0.9854362278116647,0.9355767253786581,0.9155729559317387,0.8732780481118497,0.9274659893084778
EOS-1-00681,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)c(F)c4)n23)cc1,KXMVZGLSCFCOBA-UHFFFAOYSA-N,1,1,0.757,79,497,453.452,5.23,5,0.352,0.81,1.0,0.9968131039681996,0.9958450414639161,0.9724402028647796,0.9726800767596464,0.9844446062641354
EOS-1-00682,Fc1cc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)ccc1Cl,NZYZHZASWKRDFP-UHFFFAOYSA-N,1,1,0.879,79,650,444.897,5.872,5,0.328,0.84,1.0,0.9954166952230827,0.9981495442395998,0.9532931258995271,0.9635905695291618,0.9776124837228428
EOS-1-00683,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1OC(F)(F)F,FOENAOPISRZKFI-UHFFFAOYSA-N,1,1,0.753,48,40,418.35,4.451,4,0.433,0.82,1.0,0.9805530806661641,0.9895140840243986,0.990405044205332,0.9784541840860804,0.9847315982454937
EOS-1-00684,N#Cc1cccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1,SMNKTQUQMLODCI-UHFFFAOYSA-N,1,1,0.829,48,948,377.354,3.563,4,0.532,0.81,1.0,0.9611489959564115,0.9604122404221781,0.9538842437118772,0.94978925364951,0.9563086834349942
EOS-1-00686,N#Cc1cccc(CCOc2cncc3nnc(-c4ccccc4F)n23)c1,ZSAHIJQDUKPXJF-UHFFFAOYSA-N,1,1,0.824,48,135,359.364,3.424,4,0.546,0.81,1.0,0.9617315468439449,0.9690991021862793,0.8737920636008498,0.877347337399767,0.9204925125077102
EOS-1-00687,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cc1Cl,WHYHAGVFOYBKAP-UHFFFAOYSA-N,1,1,0.768,23,627,422.769,4.623,4,0.348,0.77,1.0,0.992443972311699,0.9941573572750325,0.9916301144541155,0.994945514358166,0.9932942395997533
EOS-1-00690,COc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12,ITFCPRXTGKRYGN-UHFFFAOYSA-N,1,1,0.764,23,86,416.815,4.353,4,0.467,0.79,1.0,0.9819923240353643,0.9794222465903639,0.9513227331916935,0.9414022342539922,0.9635348845178535
EOS-1-00692,FC(F)(F)COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,TYJWCWKUYWJXOO-UHFFFAOYSA-N,1,1,0.797,48,40,448.832,5.007,4,0.398,0.87,1.0,0.9908933589198822,0.9882975807004317,0.9886402576930985,0.9764495236789802,0.9860701802480982
EOS-1-00697,OCc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1F,SYWKJJSCMLCUJR-UHFFFAOYSA-N,1,1,0.743,48,231,398.825,3.698,4,0.536,0.83,1.0,0.9796021520115139,0.9766636967993969,0.9291943663902406,0.9327753409636077,0.9545588890411898
EOS-1-00702,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1C(F)F,TZCVZACWZWKWCK-UHFFFAOYSA-N,1,1,0.812,23,86,453.251,5.796,4,0.371,0.83,1.0,0.9941659241998492,0.9952881913508327,0.994919813583716,0.9976612295250497,0.9955087896648618
EOS-1-00705,CS(=O)(=O)c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,BENMFUYOPMBMDQ-UHFFFAOYSA-N,1,1,0.881,48,576,428.901,3.47,4,0.467,0.87,1.0,0.9191881982043726,0.9772205469124803,0.6508292783222535,0.6899801247344254,0.8093045370433829
EOS-1-00709,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C#CC(F)(F)F)cc4)n23)cc1Cl,JOROZINXXFWVSG-UHFFFAOYSA-N,1,1,0.781,48,240,460.818,5.119,4,0.306,0.76,1.0,0.9937975464327325,0.9972928517579329,0.9980124734425331,0.997472757179083,0.9966439072030704
EOS-1-00711,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Br)c(OC(F)F)c4)n23)cc1F,YDKJGHPVDOOVLW-UHFFFAOYSA-N,1,1,0.789,23,86,497.246,5.055,4,0.335,0.78,1.0,0.9948598451099994,0.9927438146802824,0.9904136111301487,0.9869611404290316,0.9912446028373655
EOS-1-00712,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cc1F,QSECCEPLIPIFMS-UHFFFAOYSA-N,1,1,0.838,79,650,428.442,5.358,5,0.365,0.75,1.0,0.9957251045164828,0.9929151531766157,0.9533016928243437,0.9542269207045438,0.9740422178054966
EOS-1-00716,Fc1cc(F)c(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1F,TZLJVQMEJIQMFC-UHFFFAOYSA-N,1,1,0.712,23,86,404.779,4.484,4,0.46,0.81,1.0,0.9841768898636145,0.9904564457542321,0.9794650812144473,0.9867555342334315,0.9852134877664314
EOS-1-00717,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(Cl)c1,RVLVDFBTUUUEQJ-UHFFFAOYSA-N,1,1,0.768,23,86,417.271,5.167,4,0.45,0.81,1.0,0.9856504009320814,0.9883061476252485,0.9632478925364951,0.9735196353916798,0.9776810191213762
EOS-1-00719,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1C(F)(F)F,JQTWNWCJKNFXMZ-UHFFFAOYSA-N,1,1,0.753,48,240,436.796,5.224,4,0.402,0.81,1.0,0.9920841614693989,0.9941659241998492,0.9974042217805497,0.9971472140360497,0.9952003803714619
EOS-1-00721,CC(C)Oc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,OXGCUXKLYYTJEM-UHFFFAOYSA-N,1,1,0.833,48,948,410.424,4.478,4,0.45,0.77,1.0,0.977049208416147,0.9817867178397642,0.9393804399972586,0.880182989514084,0.9445998389418134
EOS-1-00726,COc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1OC,WRVXIZUTUPQLFK-UHFFFAOYSA-N,1,1,0.794,48,396,410.861,4.083,4,0.457,0.83,1.0,0.9810927969296142,0.9834315674045645,0.7981718182441231,0.6580254951682544,0.855180419436639
EOS-1-00727,CS(=O)(=O)c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1,WZUNHYHHHDXLDY-UHFFFAOYSA-N,1,1,0.824,48,101,446.891,3.609,4,0.449,0.83,1.0,0.9685165512987458,0.9711894318415462,0.8083236241518744,0.8250376944691933,0.8932668254403399
EOS-1-00728,Fc1cc(CCOc2cncc3nnc(-c4ccccc4)n23)ccc1OC(F)(F)F,COTXDORNGOEUJF-UHFFFAOYSA-N,1,1,0.74,48,40,418.35,4.451,4,0.433,0.84,1.0,0.9817010485915976,0.9848279761496813,0.990327941881982,0.9768864368446303,0.9834358508669727
EOS-1-00731,COc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cc1F,IASSINBVIKDQDM-UHFFFAOYSA-N,1,1,0.771,48,396,364.38,3.561,4,0.523,0.9,1.0,0.9762267836337468,0.9108011788088548,0.7894164210814886,0.6957627989856761,0.8430517956274416
EOS-1-00732,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4Cl)n23)cc1Cl,MKXPNPYMXSXONU-UHFFFAOYSA-N,1,1,0.768,23,627,439.224,5.137,4,0.405,0.8,1.0,0.9893341786032486,0.9920755945445823,0.9914673428825989,0.9965218285244328,0.9923497361387157
EOS-1-00733,Brc1ccccc1CCOc1cncc2nnc(-c3ccccc3)n12,VQMJBWJUFVUKLG-UHFFFAOYSA-N,1,1,0.864,48,135,395.26,4.175,4,0.509,0.89,1.0,0.960463641971078,0.9604208073469948,0.6891748338016586,0.7256099650469467,0.8339173120416695
EOS-1-00735,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1Cl,AMLBSOCYETWVFV-UHFFFAOYSA-N,1,1,0.753,48,40,434.805,4.965,4,0.429,0.85,1.0,0.9811013638544308,0.988057706805565,0.9904221780549654,0.983106024261531,0.9856718182441231
EOS-1-00736,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,HTAFGUYDEBASIN-UHFFFAOYSA-N,1,1,0.783,34,254,324.29,3.862,4,0.574,0.92,1.0,0.955511959427044,0.9547495031183606,0.9407254471934754,0.9556147625248441,0.9516504180659311
EOS-1-00737,Fc1cc(Br)ccc1-c1nnc2cncc(OCc3ccccc3)n12,AZJTUCJSHJHPBT-UHFFFAOYSA-N,1,1,0.71,48,906,399.223,4.272,4,0.514,0.86,1.0,0.9735967377150299,0.9662291823726955,0.8945668562812693,0.907442944280721,0.935458930162429
EOS-1-00738,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2F)cc1,DDKOIBRAXHYKNH-UHFFFAOYSA-N,1,1,0.829,57,485,464.422,5.636,5,0.306,0.77,1.0,0.9978668357206497,0.9974127887053663,0.9885117538208484,0.9914330751833322,0.9938061133575492
EOS-1-00739,N#Cc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c1,UXTHACUCTRFJEJ-UHFFFAOYSA-N,1,1,0.829,48,948,410.264,4.591,4,0.481,0.85,1.0,0.962399766979645,0.9691076691110959,0.9552635186073607,0.9686450551709959,0.9638540024672744
EOS-1-00740,Fc1ccc(-c2nnc3cncc(OCCc4ccc(OCc5ccccc5)cc4)n23)cc1,MGFHOBZLEMPSBI-UHFFFAOYSA-N,1,1,0.829,79,397,440.478,5.131,5,0.335,0.85,1.0,0.9860616133232815,0.9907048865739154,0.9003837982317867,0.8717360016448495,0.9372215749434583
EOS-1-00741,FC(F)(F)C(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,LVHRZDWHOSFWKV-UHFFFAOYSA-N,1,1,0.821,48,240,468.813,5.72,4,0.34,0.85,1.0,0.9943201288465492,0.9950311836063327,0.9997601261051333,0.9996744568569667,0.9971964738537454
EOS-1-00744,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)cc1,YVMCVSWPGOOIOQ-UHFFFAOYSA-N,1,1,0.754,48,240,402.351,4.629,4,0.442,0.78,1.0,0.9825834418477143,0.9922297991912823,0.9885203207456651,0.9864985264889315,0.9874580220683983
EOS-1-00747,COc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1F,LFZSUUSKBXTXKS-UHFFFAOYSA-N,1,1,0.711,48,40,432.377,4.579,4,0.418,0.79,1.0,0.9915872798300323,0.984836543074498,0.9945257350421493,0.9800818998012474,0.9877578644369818
EOS-1-00749,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc(Cl)c1Cl,JUJKOWZVWLTAAQ-UHFFFAOYSA-N,1,1,0.764,23,101,444.709,5.245,4,0.42,0.8,1.0,0.9872695497224316,0.9917243506270988,0.9767322321979303,0.9881005414296484,0.9859566684942773
EOS-1-00752,FC=C(F)Cc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,HOELXKGUMGMZGH-UHFFFAOYSA-N,1,1,0.716,48,378,426.854,5.389,4,0.397,0.73,1.0,0.994868412034816,0.994585703515866,0.9387122198615585,0.9335806318963745,0.9654367418271537
EOS-1-00754,Cc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,SDYUIRNUIJXQKB-UHFFFAOYSA-N,1,1,0.815,48,231,399.281,5.028,4,0.473,0.87,1.0,0.9679939688849291,0.9825234733739977,0.9079226920704544,0.937204441093825,0.9489111438558016
EOS-1-00757,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)cc4)n23)cc1,HTNNUAWUNPGUNI-UHFFFAOYSA-N,1,1,0.814,79,590,426.451,5.344,5,0.351,0.85,1.0,0.9906449181001987,0.9929237201014324,0.8875762456308683,0.8745973545336166,0.936435559591529
EOS-1-00758,Oc1cc(F)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,LIXLPTAKSAJZNI-UHFFFAOYSA-N,1,1,0.771,48,135,350.353,3.258,4,0.598,0.85,1.0,0.9592043040230279,0.9258532657117401,0.7412017682132822,0.7417586183263656,0.8420044890686039
EOS-1-00759,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)c(C(F)(F)F)c3)n12,NJHVXEMEWKNMCS-UHFFFAOYSA-N,1,1,0.786,48,240,436.796,5.224,4,0.402,0.81,1.0,0.9884946199712151,0.9941744911246659,0.9973356863820163,0.9971557809608663,0.9942901446096909
EOS-1-00760,Clc1cccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)c1,AWZJAWONTQQAOE-UHFFFAOYSA-N,1,1,0.906,48,231,429.705,4.829,4,0.456,0.85,1.0,0.9450346103762594,0.9841083544650813,0.8802515249126174,0.9154187512850387,0.9312033102597492
EOS-1-00761,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1Cl,OKQDZZXHNUKKFB-UHFFFAOYSA-N,1,1,0.812,23,721,433.726,5.681,4,0.406,0.82,1.0,0.9886231238434652,0.9892827770543485,0.9699729285175793,0.982540607223631,0.982604859159756
EOS-1-00762,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cc5ccc(F)cc5)cc4)n23)cc1,UQNQDVFGNMIIHA-UHFFFAOYSA-N,1,1,0.846,79,397,442.469,5.282,5,0.344,0.84,1.0,0.9897196902199986,0.9941830580494826,0.9558632033445275,0.9536358028921939,0.9733504386265506
EOS-1-00763,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Br)c(Cl)c4)n23)cc1Cl,OYBPQNDERFMLCH-UHFFFAOYSA-N,1,1,0.889,23,86,498.595,6.136,4,0.332,0.84,1.0,0.9940202864779659,0.9941916249742992,0.9802875059968473,0.9921783976423822,0.9901694537728737
EOS-1-00764,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4Cl)n23)cc1F,HUXGZEUNGNHSFB-UHFFFAOYSA-N,1,1,0.768,23,627,422.769,4.623,4,0.348,0.75,1.0,0.9893427455280652,0.9918871221986156,0.9914759098074155,0.995099719004866,0.9919513741347405
EOS-1-00765,Fc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)c(Cl)c4)n23)cc1F,WMQFMDGRNRGIOC-UHFFFAOYSA-N,1,1,0.743,23,240,470.785,5.243,4,0.361,0.74,1.0,0.9936519087108492,0.9952967582756493,0.9984151189089164,0.9982352134877664,0.9963997498457954
EOS-1-00769,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Oc5ccccc5)c4)n23)cc1,PPTFLZMKAHEMRM-UHFFFAOYSA-N,1,1,0.781,79,590,426.451,5.344,5,0.351,0.82,1.0,0.9934548694400658,0.992752381605099,0.880260091837434,0.8717445685696662,0.9345529778630662
EOS-1-00772,Fc1ccccc1CCOc1cncc2nnc(-c3cccc(OC(F)(F)F)c3)n12,BPNQSEYLKWGOTI-UHFFFAOYSA-N,1,1,0.733,48,40,418.35,4.451,4,0.433,0.86,1.0,0.9808529230347475,0.9837314097731479,0.9912360359125488,0.9819409224864643,0.9844403228017271
EOS-1-00776,Fc1c(Cl)cccc1-c1nnc2cncc(OCCc3cccc(Cl)c3)n12,HIVPOLLCKXSULE-UHFFFAOYSA-N,1,1,0.712,23,906,403.244,4.859,4,0.478,0.84,1.0,0.9758070043177302,0.9828318826673977,0.9552720855321774,0.9760126105133301,0.9724808957576588
EOS-1-00777,COc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)nc1,UYWSUCYGQFHHMN-UHFFFAOYSA-N,1,1,0.662,90,400,365.368,2.956,4,0.523,0.81,1.0,0.9708895894729628,0.9636762387773284,0.6001987526557467,0.5122935371119183,0.761764529504489
EOS-1-00778,CCOc1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,QNKIMIASZKQWGB-UHFFFAOYSA-N,1,1,0.795,48,396,396.397,4.09,4,0.471,0.85,1.0,0.9624083339044617,0.9776745939277637,0.8789065177164005,0.8332276745939278,0.9130542800356384
EOS-1-00783,O=[N+]([O-])c1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1F,AICWDLXUXAIJQV-UHFFFAOYSA-N,1,1,0.761,48,231,397.341,3.599,4,0.364,0.81,1.0,0.9929237201014324,0.9240884791995065,0.7647865122335686,0.6147368240696319,0.8241338839010348
EOS-1-00786,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)nc4)n23)cc1,YFBURVCDHIDPDB-UHFFFAOYSA-N,1,1,0.753,79,660,411.44,4.614,5,0.408,0.82,1.0,0.9885031868960318,0.9798762936056473,0.7854756356658213,0.797889109725173,0.8879360564731683
EOS-1-00788,Fc1ccc(CCOc2cncc3nnc(-c4cccc(OC(F)(F)F)c4)n23)cc1Cl,RQNZILVYZJEFGW-UHFFFAOYSA-N,1,1,0.829,48,40,452.795,5.104,4,0.381,0.86,1.0,0.9787111918305805,0.9887430607908985,0.9964789939003496,0.9953481598245494,0.9898203515865945
EOS-1-00789,COc1ncc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,NRICCIHLALLIEA-UHFFFAOYSA-N,1,1,0.718,90,400,399.813,3.609,4,0.493,0.81,1.0,0.9699729285175793,0.9841169213898979,0.7207268179014461,0.6931327530669591,0.8419873552189707
EOS-1-00793,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)c(F)c4)n23)cc1F,BMKJXVZAKVJLLR-UHFFFAOYSA-N,1,1,0.829,57,485,446.432,5.497,5,0.346,0.78,1.0,0.9936604756356658,0.9925724761839491,0.9748475087382633,0.977280515386197,0.9845902439860188
EOS-1-00795,N#Cc1ccc(Cl)c(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,NQWJYJSMAKMYOC-UHFFFAOYSA-N,1,1,0.771,48,231,410.264,4.591,4,0.481,0.85,1.0,0.9704269755328627,0.9705040778562127,0.9476303885957097,0.9681567404564457,0.9641795456103077
EOS-1-00799,FC(F)(F)Oc1cc(CCOc2cncc3nnc(-c4ccccc4)n23)ccc1Cl,SLBCHQYOUKONSX-UHFFFAOYSA-N,1,1,0.743,48,40,434.805,4.965,4,0.429,0.82,1.0,0.982283599479131,0.9878178329106984,0.9901823041600987,0.9819494894112809,0.9855583064903023
EOS-1-00802,COc1cc(F)ccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12,UEBDDDFDZMTYRS-UHFFFAOYSA-N,1,1,0.764,23,86,400.36,3.839,4,0.492,0.73,1.0,0.9770577753409636,0.9557175656226441,0.9506116784319101,0.9260417380577068,0.9523571893633063
EOS-1-00804,Fc1cccc(CCOc2cncc3nnc(-c4cc(Cl)cc(Cl)c4)n23)c1,JAVQHCRTHIDEIY-UHFFFAOYSA-N,1,1,0.875,23,370,403.244,4.859,4,0.478,0.85,1.0,0.9432355561647591,0.9817952847645809,0.9526163388390103,0.9756270988965801,0.9633185696662325
EOS-1-00806,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)c(F)c4)n23)cc1,GAMHHUVOYMRBNM-UHFFFAOYSA-N,1,1,0.75,48,240,436.34,4.59,4,0.414,0.78,1.0,0.9787197587553972,0.9917329175519156,0.9960335138098828,0.9927095469810157,0.9897989342745528
EOS-1-00807,Oc1ccc2cc(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)ccc2c1,KYSKGQBQTOPABP-UHFFFAOYSA-N,1,1,0.724,91,660,400.413,4.411,5,0.473,0.76,1.0,0.9841854567884313,0.979884860530464,0.8933332191076692,0.8981392639298198,0.938885700089096
EOS-1-00808,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccc(Cl)cc5)cc4)n23)cc1,IANRXALBWXWKBD-UHFFFAOYSA-N,1,1,0.809,79,590,460.896,5.998,5,0.298,0.83,1.0,0.9950140497566994,0.9976355287505997,0.9476389555205263,0.9529161812075937,0.9733011788088548
EOS-1-00809,Fc1ccc(Cc2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)cc1,CEPINUJFBKZYBW-UHFFFAOYSA-N,1,1,0.841,79,397,476.914,5.935,5,0.292,0.81,1.0,0.9960078130354328,0.9983637173600165,0.9782828455897471,0.9813583715989308,0.9885031868960319
EOS-1-00812,Fc1cc(CCOc2cncc3nnc(-c4c(F)cccc4Cl)n23)ccc1Cl,ZOAQBRYUUHKTOM-UHFFFAOYSA-N,1,1,0.803,23,86,421.234,4.998,4,0.455,0.8,1.0,0.9783171132890138,0.9776831608525803,0.9767407991227469,0.9891457062572819,0.9804716948804058
EOS-1-00815,Fc1cccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)c1,HONIMYSABPSDQK-UHFFFAOYSA-N,1,1,0.817,48,40,418.35,4.451,4,0.433,0.84,1.0,0.9653639229662121,0.9841254883147146,0.9917843191008155,0.9828318826673977,0.9810264032622851
EOS-1-00817,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1OC(F)(F)F,ZCSCDYYDZFFOCT-UHFFFAOYSA-N,1,1,0.714,48,240,452.795,5.104,4,0.381,0.8,1.0,0.984502433006648,0.9930950585977657,0.9956994037420328,0.9945343019669659,0.991957799328353
EOS-1-00818,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Br)c(Br)c4)n23)cc1Cl,CZWMEFMMOTYLKY-UHFFFAOYSA-N,1,1,0.889,23,86,543.046,6.245,4,0.299,0.81,1.0,0.9962048523062161,0.9945942704406826,0.9724487697895964,0.9834401343293812,0.9866720067164692
EOS-1-00819,Fc1ccc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)cc1,QPQJQUGGHUOCCK-UHFFFAOYSA-N,1,1,0.662,23,254,342.28,4.001,4,0.565,0.93,1.0,0.9555205263518607,0.9741792886025632,0.972457336714413,0.9808443561099308,0.9707503769446919
EOS-1-00820,CS(=O)(=O)c1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1,DKSGQPTXPPOHGZ-UHFFFAOYSA-N,1,1,0.824,48,101,430.436,3.095,4,0.467,0.84,1.0,0.9611575628812281,0.9325011993694743,0.8061561921732575,0.7934000411212391,0.8733037488862997
EOS-1-00821,Fc1ccc(CCOc2cncc3nnc(-c4ccc5c(c4)OC(F)(F)O5)n23)cc1F,KXRBBKLTSPFGTO-UHFFFAOYSA-N,1,1,0.756,48,948,432.333,4.013,5,0.444,0.65,1.0,0.9893513124528819,0.971840518127613,0.9938917826057159,0.9869697073538483,0.9855133301350147
EOS-1-00822,Oc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)cc1,PZPBFDULBRRTQA-UHFFFAOYSA-N,1,1,0.707,48,40,416.359,4.017,4,0.511,0.72,1.0,0.9827547803440477,0.9728599821807964,0.9822578987046809,0.9497978205743266,0.9719176204509629
EOS-1-00823,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)nc1,PRLRRPBWCXTRTM-UHFFFAOYSA-N,1,1,0.694,90,400,421.258,3.442,4,0.491,0.82,1.0,0.9723459666917963,0.9746333356178466,0.6812075937221574,0.6872644095675416,0.8288628263998354
EOS-1-00826,CS(=O)(=O)c1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,HFLNNDJXCMVNNV-UHFFFAOYSA-N,1,1,0.771,48,576,428.901,3.47,4,0.467,0.8,1.0,0.9523507641696937,0.9741878555273799,0.5209461311767528,0.6232780481118497,0.767690699746419
EOS-1-00827,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1,IGNCVGNOSPWZGQ-UHFFFAOYSA-N,1,1,0.873,48,231,440.257,4.084,4,0.331,0.83,1.0,0.9936690425604825,0.8952779110410527,0.590338222191762,0.3768076211363169,0.7140231992324035
EOS-1-00828,OCc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)cc1Cl,UFMRWGXWGFWNPD-UHFFFAOYSA-N,1,1,0.73,48,906,398.825,3.698,4,0.536,0.8,1.0,0.959821122609828,0.9636848057021452,0.9088479199506545,0.9122061544787883,0.936140000685354
EOS-1-00829,Fc1ccc(CCOc2cncc3nnc(-c4c(F)cccc4Cl)n23)cc1Cl,FIRYKFABXOFMQV-UHFFFAOYSA-N,1,1,0.803,23,86,421.234,4.998,4,0.455,0.78,1.0,0.9780515386196971,0.9785912548831471,0.9767493660475636,0.9891542731820986,0.9806366081831266
EOS-1-00831,Fc1ccc(F)c(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,SYLHODHFVRVEQO-UHFFFAOYSA-N,1,1,0.757,23,906,386.789,4.344,4,0.512,0.88,1.0,0.9624169008292783,0.9766722637242136,0.951956685628127,0.9706668494277294,0.965428174902337
EOS-1-00832,Oc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(Br)cc3)n12,ZAOWFSFESXOTHL-UHFFFAOYSA-N,1,1,0.779,48,231,445.704,4.534,4,0.488,0.79,1.0,0.9641902542663285,0.9751302172572134,0.8639486669864985,0.8859399629908848,0.9223022753752314
EOS-1-00833,Clc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1Cl,BGUNOYAXEOWRFL-UHFFFAOYSA-N,1,1,0.703,90,400,386.242,4.115,4,0.516,0.82,1.0,0.9636505380028785,0.9755928311973134,0.7787163319854705,0.8537197587553972,0.8929198649852649
EOS-1-00836,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1OC(F)(F)F,IZYIOZBGSMFQER-UHFFFAOYSA-N,1,1,0.75,48,240,452.795,5.104,4,0.381,0.8,1.0,0.9811099307792475,0.9938832156808992,0.9961705846069495,0.9947227743129327,0.9914716263450073
EOS-1-00837,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4F)n23)cc1Cl,YPUQDEFEOHDOFZ-UHFFFAOYSA-N,1,1,0.768,23,627,455.679,5.651,4,0.365,0.79,1.0,0.9893598793776985,0.9938917826057159,0.9914844767322322,0.9976012610513331,0.9930843499417449
EOS-1-00838,O=c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c[nH]1,MPNJPGAPALOBEH-UHFFFAOYSA-N,1,1,0.732,48,231,367.796,2.754,4,0.586,0.87,1.0,0.9538242752381605,0.9462511137002262,0.6535107257898705,0.7067627304502776,0.8150872112946337
EOS-1-00839,Fc1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)c(Cl)c1,YMQKPAAXIANYIQ-UHFFFAOYSA-N,1,1,0.603,23,370,390.752,4.441,4,0.517,0.8,1.0,0.9780601055445137,0.980373175245014,0.9872524158727983,0.9936776094852992,0.9848408265369063
EOS-1-00841,Brc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)cc1,IKLZMNKCSVAPFU-UHFFFAOYSA-N,1,1,0.877,79,650,471.358,5.842,5,0.312,0.88,1.0,0.9907819888972654,0.9925810431087657,0.8802686587622507,0.8885614419847851,0.9380482831882668
EOS-1-00842,Clc1ccc(-c2nnc3cncc(OCCc4cccc(Oc5ccccc5)c4)n23)cc1,COTHXBXXOSSGFT-UHFFFAOYSA-N,1,1,0.781,79,590,442.906,5.859,5,0.316,0.85,1.0,0.9920927283942156,0.9966074977725995,0.8816222328832842,0.892613597423069,0.9407340141182922
EOS-1-00843,O=[N+]([O-])c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1F,ILOBHIHLVLJKAI-UHFFFAOYSA-N,1,1,0.803,23,86,415.331,3.738,4,0.352,0.77,1.0,0.9922812007401823,0.922272291138373,0.8789150846412171,0.7746127749982866,0.8920203378795148
EOS-1-00845,Fc1ccc(CCOc2cncc3nnc(-c4cc(Cl)c(F)cc4F)n23)cc1F,FUXKICMRBATNDS-UHFFFAOYSA-N,1,1,0.743,23,627,422.769,4.623,4,0.348,0.76,1.0,0.9882204783770817,0.9895226509492153,0.9914930436570488,0.995356726749366,0.991148224933178
EOS-1-00846,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(OC(F)(F)F)c(F)c3)n12,YNXYJRYUXPOEAT-UHFFFAOYSA-N,1,1,0.724,48,40,436.34,4.59,4,0.414,0.78,1.0,0.9792680419436639,0.989916729490782,0.995459529847166,0.9921869645671989,0.9892078164622027
EOS-1-00847,Fc1ccc(CCOc2cncc3nnc(-c4cc(OC(F)F)ccc4Cl)n23)cc1,XNPKDEOEAWJZCK-UHFFFAOYSA-N,1,1,0.699,48,240,434.805,4.807,4,0.418,0.84,1.0,0.9766551298745803,0.9860016448495648,0.9837656774724145,0.9843225275854979,0.9826862449455143
EOS-1-00848,FC(F)Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1Br,HCPXYQWNOCWNCV-UHFFFAOYSA-N,1,1,0.775,48,240,495.711,5.43,4,0.342,0.81,1.0,0.9893684463025153,0.9914930436570488,0.9790795695976973,0.9772890823110136,0.9843075354670687
EOS-1-00849,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cc1,FVUKGVOTBRBXLV-UHFFFAOYSA-N,1,1,0.814,79,590,426.451,5.344,5,0.351,0.83,1.0,0.9879891714070317,0.9869354396545816,0.887584812555685,0.8758481255568501,0.9345893872935371
EOS-1-00850,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)cc4)n23)cc1,LCTCOHZMJWVNPV-UHFFFAOYSA-N,1,1,0.814,79,590,442.906,5.859,5,0.316,0.84,1.0,0.9890000685353986,0.9967274347200329,0.8885957096840518,0.8954149818381194,0.9424345486944007
EOS-1-00852,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)c1,FQFGHCAIWXRBJF-UHFFFAOYSA-N,1,1,0.694,23,240,454.786,5.363,4,0.381,0.75,1.0,0.992778082379549,0.9943715303954492,0.9989719690219999,0.9990233705708998,0.9962862380919746
EOS-1-00853,Fc1cc(F)c(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)cc1F,SUHDVTZCICEUAS-UHFFFAOYSA-N,1,1,0.74,23,86,404.779,4.484,4,0.46,0.75,1.0,0.9689791652388459,0.9892913439791653,0.9804845452676307,0.9871924473990816,0.9814868754711809
EOS-1-00854,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)cc1,APKCPCFWPZKLNM-UHFFFAOYSA-N,1,1,0.817,79,590,462.431,5.622,5,0.314,0.79,1.0,0.9919299568226989,0.9943800973202659,0.9741450209032966,0.9706754163525461,0.9827826228497019
EOS-1-00855,COc1cccc(CCOc2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)c1,WDAXPTJPMHUTIT-UHFFFAOYSA-N,1,1,0.776,48,40,414.387,4.44,4,0.467,0.81,1.0,0.9720118566239463,0.9675741895689124,0.9880405729559317,0.9556233294496608,0.9708124871496129
EOS-1-00857,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3cccc(Cl)c3)n12,YYRBJUAFMXCJBH-UHFFFAOYSA-N,1,1,0.786,23,370,403.244,4.859,4,0.478,0.82,1.0,0.9604722088958947,0.9848451099993146,0.9569683366458775,0.9777259954766637,0.9700029127544376
EOS-1-00858,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cn1,QEUGQDKSSCDZIB-UHFFFAOYSA-N,1,1,0.754,48,135,335.342,2.947,4,0.525,0.89,1.0,0.9641988211911452,0.9168237269549723,0.6031800424919471,0.6021691453635802,0.7715929340004112
EOS-1-00860,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)nc1,YIWBXJRUFTUELD-UHFFFAOYSA-N,1,1,0.775,57,660,445.885,5.267,5,0.356,0.81,1.0,0.9860701802480981,0.9883147145500651,0.907931258995271,0.9196936467685559,0.9505024501404975
EOS-1-00861,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1,BUBYCIOQMOTXPO-UHFFFAOYSA-N,1,1,0.603,23,370,407.207,4.955,4,0.48,0.83,1.0,0.9783256802138305,0.9869440065793983,0.987260982797615,0.9955708998697828,0.9870253923651566
EOS-1-00863,Cc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(Cl)c(Cl)c3)n12,IGYYODMEEFHEQP-UHFFFAOYSA-N,1,1,0.821,23,86,433.726,5.681,4,0.406,0.85,1.0,0.9754900280995134,0.9841340552395312,0.960078130354328,0.9784627510108971,0.9745412411760673
EOS-1-00864,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1,GWNZBZUEMRQOQL-UHFFFAOYSA-N,1,1,0.686,48,305,385.349,3.827,4,0.523,0.85,1.0,0.9748218079638133,0.9604293742718114,0.9808015214858474,0.9510057569734768,0.9667646151737372
EOS-1-00865,Fc1ccccc1CCOc1cncc2nnc(-c3cccc(Br)c3)n12,YGAHOCOSRRYCQW-UHFFFAOYSA-N,1,1,0.824,48,906,413.25,4.314,4,0.489,0.87,1.0,0.9205503392502228,0.9683794805016791,0.8683692001918991,0.8872250017133849,0.9111310054142965
EOS-1-00866,CC(C)Oc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,UMOTYEDLTVATNN-UHFFFAOYSA-N,1,1,0.763,23,948,428.414,4.617,4,0.43,0.74,1.0,0.9811184977040641,0.9798934274552806,0.9678740319374958,0.9335891988211912,0.9656187889795079
EOS-1-00869,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cccc(F)c5)c4)n23)cc1,HITCUHPFFDASDL-UHFFFAOYSA-N,1,1,0.764,57,497,446.432,5.497,5,0.346,0.75,1.0,0.9886316907682818,0.995176821328216,0.9759526420396134,0.9805102460420807,0.985067850044548
EOS-1-00872,Fc1cccc(COc2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c1,GFAVXEAKGKYEMI-UHFFFAOYSA-N,1,1,0.762,79,824,440.478,5.131,5,0.335,0.85,1.0,0.9827633472688644,0.9811270646288808,0.8957576588307861,0.8684891371393325,0.932034301966966
EOS-1-00873,COc1cc(F)c(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1Cl,KZWDTEPMYSGCDQ-UHFFFAOYSA-N,1,1,0.708,23,370,416.815,4.353,4,0.467,0.81,1.0,0.9762353505585635,0.972354533616613,0.9506202453567267,0.9405969433212255,0.9599517682132821
EOS-1-00874,Cc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,UCADNYWWJBDAJV-UHFFFAOYSA-N,1,1,0.797,79,650,424.479,5.527,5,0.36,0.84,1.0,0.9919385237475156,0.9863700226166815,0.9134140908779385,0.9017459392776369,0.9483671441299432
EOS-1-00875,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)c(Cl)c4)n23)cc1,NKJRTVKWFBGPAH-UHFFFAOYSA-N,1,1,0.75,48,240,452.795,5.104,4,0.381,0.79,1.0,0.9792766088684806,0.992392570762799,0.9961791515317662,0.9947313412377493,0.9906449181001987
EOS-1-00876,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc([N+](=O)[O-])cc4)n23)cc1,HVIDAHCPUKSQEQ-UHFFFAOYSA-N,1,1,0.853,48,576,386.371,3.193,4,0.369,0.85,1.0,0.9888030292646152,0.810628126927558,0.6358114591186348,0.39254506202453565,0.706946919333836
EOS-1-00877,OCc1cccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c1,SYMNNCIEMJBCES-UHFFFAOYSA-N,1,1,0.771,48,231,364.38,3.044,4,0.569,0.9,1.0,0.9509372215749434,0.8534970187101638,0.8521862792132137,0.8192293194434925,0.8689624597354534
EOS-1-00878,Fc1ccc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1,XJSSNZFSINJRGY-UHFFFAOYSA-N,1,1,0.676,90,400,336.33,2.342,4,0.557,0.88,1.0,0.947519018573093,0.9595041463916113,0.3858542937427181,0.4492495373860599,0.6855317490233706
EOS-1-00880,OCc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,TVTUCQJRNBHXHU-UHFFFAOYSA-N,1,1,0.771,48,231,380.835,3.559,4,0.553,0.88,1.0,0.9420961551641422,0.9068089918442875,0.8536597902816805,0.8537283256802138,0.889073315742581
EOS-1-00881,O=[N+]([O-])c1cccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1,GPTJYJCCVDFFEK-UHFFFAOYSA-N,1,1,0.781,48,101,397.341,3.599,4,0.364,0.76,1.0,0.9907905558220821,0.889983551504352,0.7915838530601056,0.6232866150366665,0.8239111438558016
EOS-1-00882,Fc1ccc(CCOc2cncc3nnc(-c4cccc(C(F)F)c4)n23)cc1F,LVQSQMYPTKHASG-UHFFFAOYSA-N,1,1,0.814,48,948,402.351,4.629,4,0.442,0.75,1.0,0.9674456856966623,0.9711979987663628,0.9898995956411486,0.9874837228428484,0.9790067507367556
EOS-1-00883,Fc1ccccc1-c1nnc2cncc(OCCc3ccc(OC(F)(F)F)cc3)n12,DWHKERZJJGUVQT-UHFFFAOYSA-N,1,1,0.812,48,40,418.35,4.451,4,0.433,0.81,1.0,0.9546724007950106,0.9825320402988144,0.9909618943184154,0.9813669385237476,0.977383318483997
EOS-1-00884,Fc1ccc(CCOc2cncc3nnc(-c4cc5c(cc4Cl)OCO5)n23)cc1F,CXPXWOOLMRRCPS-UHFFFAOYSA-N,1,1,0.728,23,86,430.798,4.073,5,0.475,0.72,1.0,0.9813840723733809,0.9425330683297923,0.9494894112809266,0.9414108011788088,0.9537043382907272
EOS-1-00886,COc1ccc(CCOc2cncc3nnc(-c4cc(F)c(F)cc4F)n23)cc1,JAKHKVDWPAWTMT-UHFFFAOYSA-N,1,1,0.662,23,101,400.36,3.839,4,0.46,0.82,1.0,0.9777174285518471,0.9705126447810294,0.9564029196079775,0.9248766362826399,0.9573774073058734
EOS-1-00887,Clc1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,UGSVZFBQUBUMIQ-UHFFFAOYSA-N,1,1,0.783,34,254,357.2,4.89,4,0.524,0.88,1.0,0.9244911246658899,0.9766808306490302,0.9428671783976423,0.9756356658213967,0.9549186998834898
EOS-1-00889,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,SNBLCZPKDMMMCQ-UHFFFAOYSA-N,1,1,0.846,79,650,426.907,5.733,5,0.347,0.86,1.0,0.982000890960181,0.992238366116099,0.904812898362004,0.9270269344116236,0.9515197724624769
EOS-1-00890,CS(=O)(=O)c1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)cc1F,OQSBZUVVKLDATF-UHFFFAOYSA-N,1,1,0.806,48,231,430.436,3.095,4,0.467,0.74,1.0,0.9538328421629771,0.9506031115070934,0.7460763484339662,0.7649664176547186,0.8538696799396889
EOS-1-00891,Fc1cccc(-c2nnc3cncc(OCCc4ccc(F)c(C(F)(F)F)c4)n23)c1,WAXQJBZZCMEWIG-UHFFFAOYSA-N,1,1,0.781,48,64,420.341,4.71,4,0.439,0.82,1.0,0.9695274484271126,0.9837399766979645,0.9972243163593997,0.9957508052909327,0.9865606366938524
EOS-1-00892,Cc1cc(F)c(Cl)cc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12,AETRWVKBBXQAMR-UHFFFAOYSA-N,1,1,0.754,23,86,418.806,4.792,4,0.467,0.75,1.0,0.9805616475909807,0.9741964224521965,0.9813926392981975,0.9831145911863477,0.9798163251319305
EOS-1-00894,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)c(Cl)c3F)n12,LRKBGNLBVQIWOK-UHFFFAOYSA-N,1,1,0.746,23,906,421.234,4.998,4,0.426,0.79,1.0,0.9758155712425468,0.9913217051607155,0.9790881365225139,0.9891628401069152,0.9838470632581728
EOS-1-00895,COc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)cc1,HYTXUGUPZHPRGH-UHFFFAOYSA-N,1,1,0.853,48,396,380.835,4.075,4,0.504,0.9,1.0,0.9122232883284216,0.9340004112123912,0.814448975395792,0.7795815913919539,0.8600635665821397
EOS-1-00896,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1,BZGDBTYBEFBBGV-UHFFFAOYSA-N,1,1,0.775,91,883,445.885,5.267,5,0.333,0.84,1.0,0.9870125419779316,0.9889829346857651,0.9257504626139401,0.9335977657460078,0.9588359262559112
EOS-1-00897,Cc1cccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1,LLUSRPAHAFHCOW-UHFFFAOYSA-N,1,1,0.761,48,135,364.836,4.375,4,0.527,0.83,1.0,0.9353282845589748,0.9484185456788431,0.8083321910766911,0.8332362415187444,0.8813288157083133
EOS-1-00899,Fc1ccc(-c2nnc3cncc(OCCc4cccc([SH](F)(F)(F)F)c4)n23)cc1,JREQWRZJGSTRJC-UHFFFAOYSA-N,1,1,0.778,48,231,442.413,5.521,4,0.316,0.67,1.0,0.9977897333972997,0.9885374545952985,0.9997515591803167,0.9995802206839832,0.9964147419642244
EOS-1-00900,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1,PYRSWZYUHAEWNJ-UHFFFAOYSA-N,1,1,0.764,91,660,412.428,4.009,5,0.419,0.79,1.0,0.9736053046398465,0.9794308135151806,0.7532554314303338,0.7417671852511822,0.8620146837091358
EOS-1-00902,Oc1ccc(F)cc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,GZEGECGFGFJRFB-UHFFFAOYSA-N,1,1,0.718,48,231,384.798,3.911,4,0.564,0.84,1.0,0.9538414090877938,0.9128572407648551,0.8909173463093688,0.9074515112055377,0.9162668768418889
EOS-1-00903,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1F,XIPBGJXHOCIXRX-UHFFFAOYSA-N,1,1,0.747,91,781,430.418,4.148,5,0.403,0.77,1.0,0.9758241381673635,0.9761496813103968,0.8724299225549996,0.856975190185731,0.9203447330546227
EOS-1-00904,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1C,XJDGVCMIAUBCJJ-UHFFFAOYSA-N,1,1,0.771,48,396,378.407,3.869,4,0.51,0.86,1.0,0.9585275169625112,0.9088050853265712,0.8216280583921596,0.6957713659104928,0.8461830066479337
EOS-1-00905,FCc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,FZXCPVRCTAXNOK-UHFFFAOYSA-N,1,1,0.81,48,135,348.381,3.882,4,0.531,0.87,1.0,0.9283291069837571,0.897488177643753,0.7554656980330341,0.7366784319100815,0.8294903536426564
EOS-1-00906,Clc1ccc(CCOc2cncc3nnc(-c4ccccc4Cl)n23)cc1Cl,IYILAGHZCFMMCG-UHFFFAOYSA-N,1,1,0.846,23,86,419.699,5.373,4,0.436,0.86,1.0,0.9538499760126106,0.9756013981221301,0.9586131862106778,0.9828404495922144,0.9677262524844082
EOS-1-00908,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(F)c(F)c3F)n12,CDBQHPVDHKOFDN-UHFFFAOYSA-N,1,1,0.746,23,906,388.324,3.969,4,0.384,0.81,1.0,0.972740045233363,0.9853848262627647,0.9790967034473306,0.9805188129668974,0.9794350969775889
EOS-1-00909,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)cc1,KIIHGJYSFGNHGG-UHFFFAOYSA-N,1,1,0.817,57,485,446.432,5.497,5,0.346,0.79,1.0,0.983028921938181,0.9887516277157151,0.977331916935097,0.980090466726064,0.9823007333287643
EOS-1-00910,Fc1cccc(-c2nnc3cncc(OCc4ccccc4)n23)c1,ILEDWRDIAIMYQM-UHFFFAOYSA-N,1,1,0.71,48,135,320.327,3.509,4,0.577,0.92,1.0,0.8837896648619011,0.9108097457336715,0.8290812829826606,0.8502929888287301,0.8684934206017408
EOS-1-00911,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1F,KESAZKDSKXPRKK-UHFFFAOYSA-N,1,1,0.8,91,781,430.418,4.148,5,0.403,0.75,1.0,0.9805702145157974,0.9636933726269619,0.8423257487492289,0.8130868343499418,0.8999190425604825
EOS-1-00913,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(OC(F)(F)F)c(Cl)c3)n12,VOQSWZZUCIFDPC-UHFFFAOYSA-N,1,1,0.724,48,40,452.795,5.104,4,0.381,0.78,1.0,0.9799105613049139,0.9908590912206154,0.9955708998697828,0.9943115619217325,0.9901630285792612
EOS-1-00914,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccc5)cc4)n23)cc1F,DWDFZLOFDIOBAK-UHFFFAOYSA-N,1,1,0.806,79,397,458.468,5.27,5,0.317,0.78,1.0,0.9858303063532314,0.9841426221643479,0.9494979782057432,0.9302395312178741,0.9624276094852992
EOS-1-00915,Fc1cc2c(cc1-c1nnc3cncc(OCCc4ccc(Cl)cc4)n13)OCO2,RGDCPNVXEOPALT-UHFFFAOYSA-N,1,1,0.689,48,396,412.808,3.934,5,0.494,0.74,1.0,0.9817096155164142,0.9340089781372078,0.8933417860324858,0.883018641628401,0.9230197553286272
EOS-1-00916,FC(F)(F)Oc1ccc(CCOc2cncc3nnc(-c4ccccc4Cl)n23)cc1,YSVHTGDGHABCSX-UHFFFAOYSA-N,1,1,0.812,48,40,434.805,4.965,4,0.429,0.86,1.0,0.9493180727845932,0.9818038516893975,0.9909704612432322,0.9859331094510314,0.9770063737920636
EOS-1-00917,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4ccccc4)n23)c1F,NEWBZPPFSPWPMN-UHFFFAOYSA-N,1,1,0.765,23,906,388.324,3.969,4,0.384,0.76,1.0,0.9777259954766637,0.9662377492975122,0.9692447399081625,0.9681653073812624,0.9703434480159001
EOS-1-00918,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)c(F)c4)n23)cc1,IVMQLYDEAWPXQW-UHFFFAOYSA-N,1,1,0.771,57,485,464.422,5.636,5,0.306,0.73,1.0,0.995022616681516,0.9956651360427661,0.9886488246179151,0.9911760674388321,0.9926281611952573
EOS-1-00919,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cc1,KYYBSLXUHFGCIY-UHFFFAOYSA-N,1,1,0.826,79,650,410.452,5.219,5,0.385,0.87,1.0,0.9704355424576794,0.9790367349736139,0.897102666027003,0.9064663148516209,0.9382603145774792
EOS-1-00920,CS(=O)(=O)c1cccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)c1,DQDHXSOLXYBNHV-UHFFFAOYSA-N,1,1,0.8,48,576,412.446,2.955,4,0.484,0.88,1.0,0.8856315536974847,0.9340175450620245,0.6212391200054829,0.6321790829963676,0.76826682544034
EOS-1-00921,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(Cl)c1,OTXOTVILFVXNOB-UHFFFAOYSA-N,1,1,0.722,48,240,469.25,5.618,4,0.367,0.83,1.0,0.9879977383318485,0.9908676581454321,0.9957079706668495,0.9964361592762662,0.992752381605099
EOS-1-00923,Fc1cccc(Cl)c1-c1nnc2cncc(OCCc3ccc(Cl)c(Cl)c3)n12,SHPBOBMOOXYSBP-UHFFFAOYSA-N,1,1,0.803,23,86,437.689,5.512,4,0.413,0.84,1.0,0.9736138715646632,0.9756099650469467,0.9770149407168802,0.9919984922212323,0.9795593173874306
EOS-1-00925,Fc1cccc(Oc2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c1,OGSVJCSLXQEIGG-UHFFFAOYSA-N,1,1,0.767,79,590,426.451,5.344,5,0.351,0.84,1.0,0.9841940237132479,0.9837485436227812,0.8816307998081009,0.8717531354944829,0.9303316256596532
EOS-1-00929,Clc1cccc(CCOc2cncc3nnc(-c4ccccc4Cl)n23)c1,GRZPNGOUIDUBHS-UHFFFAOYSA-N,1,1,0.875,48,906,385.254,4.72,4,0.499,0.9,1.0,0.8521691453635802,0.9691162360359126,0.892228085806319,0.9454201219930094,0.9147333972997053
EOS-1-00932,Fc1ccccc1-c1nnc2cncc(OCCCc3ccccc3)n12,AGBNCNMGBIHDMG-UHFFFAOYSA-N,1,1,0.791,48,135,348.381,3.942,4,0.495,0.89,1.0,0.8741261736686999,0.932509766294291,0.6391525597971353,0.7097868549105613,0.7888938386676718
EOS-1-00933,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1Cl,MKDFZUZKNFEMHP-UHFFFAOYSA-N,1,1,0.778,91,883,445.885,5.267,5,0.356,0.81,1.0,0.9845109999314646,0.9799019943800973,0.9339147419642245,0.9388150229593585,0.9592856898087861
EOS-1-00934,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Oc1ccccc1,FELYFOJTSOFGFF-UHFFFAOYSA-N,1,1,0.747,79,590,460.896,5.998,5,0.298,0.83,1.0,0.9882290453018985,0.9978325680213831,0.9393890069220753,0.9421561236378589,0.966901685970804
EOS-1-00935,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Br)cc5)n34)cc2)cc1,YEDQNEMSSKTMMJ-UHFFFAOYSA-N,1,1,0.903,83,497,505.803,6.496,5,0.264,0.87,1.0,0.9919470906723322,0.9972157494345829,0.9460198067301762,0.9586388869851278,0.9734553834555547
EOS-1-00936,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,QBHKMXQJOGNJCP-UHFFFAOYSA-N,1,1,0.797,91,883,411.44,4.614,5,0.408,0.84,1.0,0.9740250839558632,0.9723631005414296,0.8639572339113152,0.8587999451716811,0.9172863408950723
EOS-1-00938,Cc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c1,ZLMLNLCNJJSVGC-UHFFFAOYSA-N,1,1,0.851,48,948,399.281,5.028,4,0.473,0.83,1.0,0.9410509903365089,0.9370331025974916,0.9221866218902063,0.9388235898841751,0.9347735761770954
EOS-1-00939,COc1ccc(CCOc2cncc3nnc(-c4cc(F)ccc4F)n23)cc1,STTNWWBQINPDEK-UHFFFAOYSA-N,1,1,0.685,48,396,382.37,3.7,4,0.509,0.86,1.0,0.9538585429374272,0.9240970461243232,0.9037591666095538,0.8569837571105476,0.909674628195463
EOS-1-00941,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1,AAUWQWIRUVHUDE-UHFFFAOYSA-N,1,1,0.764,91,660,428.883,4.523,5,0.395,0.8,1.0,0.967454252621479,0.9818124186142142,0.7554742649578507,0.7816976218216709,0.8716096395038038
EOS-1-00942,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1F,BVEBHTOBCQLAST-UHFFFAOYSA-N,1,1,0.77,91,883,429.43,4.753,5,0.39,0.79,1.0,0.9758327050921801,0.9691248029607292,0.9134226578027551,0.902928174902337,0.9403270851895005
EOS-1-00943,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1Cl,XWGGDAKIEHHCEI-UHFFFAOYSA-N,1,1,0.77,91,883,445.885,5.267,5,0.356,0.82,1.0,0.980270372147214,0.9794393804399972,0.9144678226303886,0.9187512850387225,0.9482322150640807
EOS-1-00944,Fc1ccc(COc2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cc1,QYKNCXZKEYKHQM-UHFFFAOYSA-N,1,1,0.809,79,397,474.923,5.784,5,0.285,0.9,1.0,0.9845195668562813,0.9920841614693989,0.9538928106366938,0.9498063874991433,0.9700757316153793
EOS-1-00945,CS(=O)(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,QHGZJEUREWPWGC-UHFFFAOYSA-N,1,1,1.0,48,576,428.901,3.47,4,0.467,0.88,1.0,0.7206497155780961,0.9506116784319101,0.6508378452470701,0.684497292851758,0.7516491330272086
EOS-1-00946,C[n+]1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,CXZCBBJTHSSIIX-UHFFFAOYSA-N,1,1,0.636,48,231,366.832,2.891,4,0.51,0.68,0.962,0.9736224384894798,0.9644815297100953,0.6728548420259064,0.6551898430539373,0.8165371633198547
EOS-1-00947,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1Cl,LJWVUAADYCLIGY-UHFFFAOYSA-N,1,1,0.767,91,781,436.834,4.255,5,0.393,0.79,1.0,0.9731084230004797,0.957499485984511,0.8179528476458091,0.817207525186759,0.8914420704543897
EOS-1-00949,CCS(=O)(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,NHYUVGXVCJTHLO-UHFFFAOYSA-N,1,1,0.912,48,378,444.463,3.485,4,0.434,0.8,1.0,0.9076314166266877,0.9128658076896717,0.6508464121718868,0.6984956480021931,0.7924598211226098
EOS-1-00950,COC(O)c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,NZAUTUXVUPJXPH-UHFFFAOYSA-N,1,1,0.785,48,576,376.416,3.05,4,0.499,0.66,0.997,0.9783342471386471,0.7943681036255226,0.8683777671167158,0.7746213419231033,0.8539253649509972
EOS-1-00951,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)cc1,GICYIRRKGAECPK-UHFFFAOYSA-N,1,1,0.708,48,17,365.324,3.418,4,0.397,0.89,1.0,0.9839027482694812,0.7734733739976698,0.7151668836954287,0.4985864574052498,0.7427823658419573
EOS-1-00952,Fc1ccc(COc2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc2)cc1,WIFGRMYDZXWRJN-UHFFFAOYSA-N,1,1,0.72,79,397,474.923,5.784,5,0.285,0.88,1.0,0.987517990542115,0.9915016105818656,0.9506288122815434,0.9483585772051264,0.9695017476526626
EOS-1-00953,Fc1ccc(CCOc2cncc3nnc(-c4ccc5c(c4)OCCO5)n23)cc1F,TVEMSAQDYWJTBY-UHFFFAOYSA-N,1,1,0.763,48,948,410.38,3.462,5,0.502,0.77,1.0,0.9630851209649784,0.8928106366938524,0.8580460557878145,0.8107908984990748,0.8811831779864301
EOS-1-00954,Oc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1,FCJCBJGISLXHRM-UHFFFAOYSA-N,1,1,0.771,83,497,442.906,5.439,5,0.379,0.79,1.0,0.9822921664039477,0.9889915016105819,0.9107326434103215,0.9154273182098553,0.9493609074086766
EOS-1-00957,O=c1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)c[nH]1,YSMIMAMSNDGFBF-UHFFFAOYSA-N,1,1,0.732,48,231,351.341,2.24,4,0.596,0.88,1.0,0.9421047220889589,0.8299636762387773,0.6508549790967034,0.655198409978754,0.7695304468507984
EOS-1-00958,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)cc1F,ZNEYGUBIVIFSMA-UHFFFAOYSA-N,1,1,0.817,57,485,462.887,6.011,5,0.31,0.78,1.0,0.9858388732780481,0.9924011376876156,0.9776488931533137,0.9843310945103145,0.985054999657323
EOS-1-00959,Fc1cc(CCOc2cncc3nnc(-c4ccccc4F)n23)ccc1OC(F)(F)F,RZXLXOVRBNCJPX-UHFFFAOYSA-N,1,1,0.753,48,240,436.34,4.59,4,0.414,0.83,1.0,0.9555290932766775,0.9811356315536974,0.9949283805085326,0.9909447604687821,0.9806344664519223
EOS-1-00960,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1Cl,VQNIPPKKGOSKOA-UHFFFAOYSA-N,1,1,0.767,91,883,446.873,4.662,5,0.377,0.78,1.0,0.97483037488863,0.9746419025426633,0.9048214652868206,0.9054040161743541,0.939924439723117
EOS-1-00961,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1,UZTFBTBSDNPGNM-UHFFFAOYSA-N,1,1,0.757,79,590,433.471,5.077,5,0.356,0.84,1.0,0.9811270646288808,0.9683880474264958,0.8764306764443835,0.8450842985401961,0.917757521759989
EOS-1-00962,Clc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccc5)cc4)n23)cc1,QTTAQHNKWPIRLC-UHFFFAOYSA-N,1,1,0.805,79,397,456.933,5.645,5,0.302,0.88,1.0,0.9731169899252964,0.9818209855390309,0.9026283325337536,0.8911572202042355,0.937180882050579
EOS-1-00963,COc1ccc(-c2nnc3cncc(OCCc4cccc(C)c4)n23)cc1,MWFFENDXWOVEQN-UHFFFAOYSA-N,1,1,0.846,48,576,360.417,3.73,4,0.524,0.87,1.0,0.9410595572613255,0.6667637584812556,0.6812161606469742,0.5255037351792201,0.7036358028921939
EOS-1-00964,Cc1cc(F)ccc1-c1nnc2cncc(OCC(F)(F)c3ccccc3)n12,TYOFYPVCZMWVPR-UHFFFAOYSA-N,1,1,0.605,48,135,384.361,4.41,4,0.512,0.8,1.0,0.962425467754095,0.9691333698855459,0.990430744979782,0.9825491741484477,0.9761346891919677
EOS-1-00965,FC(F)(COc1cncc2nnc(-c3cccc(Cl)c3)n12)c1ccccc1,NJPAJSFCSKITBQ-UHFFFAOYSA-N,1,1,0.743,48,135,386.789,4.616,4,0.502,0.83,1.0,0.8586371736001644,0.972868549105613,0.9917928860256322,0.9918271537248989,0.9537814406140771
EOS-1-00966,Fc1cc(OCC(F)(F)F)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,VYNWEHYWRUKTMM-UHFFFAOYSA-N,1,1,0.703,48,240,466.822,5.146,4,0.353,0.79,1.0,0.982771914193681,0.9845281337810979,0.9933177986429991,0.9886573915427318,0.9873188095401275
EOS-1-00967,O=[N+]([O-])c1ccc(CCOc2cncc3nnc(-c4ccccc4)n23)cc1,UOVLPKRPHRZISG-UHFFFAOYSA-N,1,1,0.879,48,135,361.361,3.321,4,0.386,0.88,1.0,0.9740336508806798,0.5377030361181551,0.4144849564800219,0.20564903022411074,0.5329676684257418
EOS-1-00969,Clc1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1,GJTRFRHSZRKTNH-UHFFFAOYSA-N,1,1,0.809,79,590,477.351,6.512,5,0.267,0.81,1.0,0.9915958467548489,0.9980039065177164,0.9482386402576931,0.9616630114454116,0.9748753512439174
EOS-1-00970,COc1ccc(CCOc2cncc3nnc(-c4cccc(F)c4)n23)cc1F,RFBSYJXIJANSKM-UHFFFAOYSA-N,1,1,0.792,48,396,382.37,3.7,4,0.509,0.88,1.0,0.9163953807141388,0.8974967445685696,0.9048300322116373,0.8569923240353643,0.8939286203824275
EOS-1-00971,Brc1ccccc1-c1nnc2cncc(OCCc3ccccc3)n12,GVNPHNIVPKTUOU-UHFFFAOYSA-N,1,1,1.0,48,135,395.26,4.175,4,0.509,0.83,1.0,0.7266294291001302,0.9168322938797889,0.6674319786169557,0.7151240490713453,0.7565044376670551
EOS-1-00972,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccc(Cl)c(F)c5)cc4)n23)cc1,FYLRXTUTCVJERY-UHFFFAOYSA-N,1,1,0.753,79,590,478.886,6.137,5,0.281,0.82,1.0,0.992289767664999,0.9946028373654993,0.9745305325200466,0.9760211774381468,0.9843610787471729
EOS-1-00973,Clc1ccc(CCOc2cncc3nnc(-c4ccc5c(Cl)cccc5c4)n23)cc1,VSFAZTNSSDRPMH-UHFFFAOYSA-N,1,1,0.73,57,397,435.314,5.873,5,0.346,0.83,1.0,0.9770663422657803,0.989299910903982,0.95063737920636,0.9756442327462134,0.9731619662805839
EOS-1-00974,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccc5F)cc4)n23)cc1Cl,BYALGMKDDWZNCC-UHFFFAOYSA-N,1,1,0.759,79,397,492.913,5.923,5,0.269,0.83,1.0,0.9891285724076485,0.9925896100335824,0.9755928311973134,0.9726886436844631,0.9824999143307518
EOS-1-00976,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1F,YWNFIXRZAQAUMC-UHFFFAOYSA-N,1,1,0.767,91,781,420.379,3.741,5,0.413,0.77,1.0,0.9680025358097457,0.9258618326365567,0.8163422657802755,0.7817061887464876,0.8729782057432665
EOS-1-00977,Fc1ccc(-c2nnc3cncc(OC4CCOc5ccccc54)n23)cc1F,XNGMCFCINWKODR-UHFFFAOYSA-N,1,1,0.593,48,101,380.354,3.972,5,0.538,0.68,1.0,0.9770749091905969,0.9258703995613734,0.9372472757179083,0.9327839078884244,0.9432441230895758
EOS-1-00978,CS(=O)(=O)c1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1,KEIHFXFARDNOTE-UHFFFAOYSA-N,1,1,0.826,48,101,430.436,3.095,4,0.467,0.79,1.0,0.9106726749366048,0.9258789664861902,0.7717771228839696,0.7722825714481529,0.8451528339387294
EOS-1-00979,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,UBZJPFXFSCKYOK-UHFFFAOYSA-N,1,1,0.73,79,590,426.451,5.344,5,0.351,0.82,1.0,0.9848279761496813,0.9790453018984305,0.8816393667329175,0.870279624426016,0.9289480673017614
EOS-1-00981,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-n5cccc5)cc4)n23)cc1,UENXANGURHLFEI-UHFFFAOYSA-N,1,1,0.786,91,660,399.429,4.343,5,0.426,0.78,1.0,0.9708981563977794,0.9258875334110068,0.8469775889246796,0.8411435131245288,0.8962266979644987
EOS-1-00983,Fc1cccc(CCOc2cncc3nnc(-c4ccccc4OC(F)F)n23)c1,XACSJLRNMIACIG-UHFFFAOYSA-N,1,1,0.724,48,40,400.36,4.153,4,0.466,0.84,1.0,0.9244996915907066,0.9451545473236926,0.9546724007950106,0.9414193681036255,0.9414365019532588
EOS-1-00984,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)cc1,OZBCYPVGPYYFMB-UHFFFAOYSA-N,1,1,0.797,91,883,412.428,4.009,5,0.419,0.76,1.0,0.9509457884997601,0.9742049893770133,0.8144575423206086,0.7978976766499897,0.8843764992118429
EOS-1-00985,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)cn1,BTFMEVZSJAMGBJ-UHFFFAOYSA-N,1,1,0.631,90,305,419.338,3.687,4,0.336,0.75,1.0,0.970444109382496,0.9853933931875813,0.9636162703036119,0.9469450346103763,0.9665997018710164
EOS-1-00987,O=[N+]([O-])c1cccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c1,DJZLFNDZIGWPAR-UHFFFAOYSA-N,1,1,0.84,48,948,413.796,4.114,4,0.348,0.8,1.0,0.9727486121581796,0.7905729559317387,0.7958159139195394,0.6666523884586388,0.8064474676170241
EOS-1-00988,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c(F)c1,FWPNLUDAMPASGD-UHFFFAOYSA-N,1,1,0.737,79,590,444.441,5.483,5,0.333,0.85,1.0,0.9787283256802138,0.9831317250359811,0.9387207867863752,0.9270355013364403,0.9569040847097526
EOS-1-00989,Cc1ccccc1-c1nnc2cncc(OCCc3ccc(Cl)c(Cl)c3)n12,UEDQLZVNMIKRAY-UHFFFAOYSA-N,1,1,0.821,48,948,399.281,5.028,4,0.473,0.86,1.0,0.9297083818792407,0.9108183126584881,0.9070488657391542,0.9291001302172572,0.9191689226235351
EOS-1-00990,Fc1ccc(CCOc2cncc3nnc(-c4cccc5cccc(F)c45)n23)cc1,BVQCKHQIKVBQOP-UHFFFAOYSA-N,1,1,0.703,57,824,402.404,4.844,5,0.422,0.72,1.0,0.972354533616613,0.9653896237406621,0.9330494825577411,0.9491296004386266,0.9549808100884106
EOS-1-00991,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5cccc(Cl)c5)cc4)n23)cc1F,ZDDLIHIYLNPWFH-UHFFFAOYSA-N,1,1,0.76,79,590,478.886,6.137,5,0.281,0.77,1.0,0.989377013227332,0.994868412034816,0.9731512576245631,0.9751987526557467,0.9831488588856144
EOS-1-00992,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5c(Cl)cccc5Cl)cc4)n23)cc1,ULECHSKPYYNMIQ-UHFFFAOYSA-N,1,1,0.821,57,497,479.342,6.526,5,0.278,0.82,1.0,0.9909019258446988,0.9976440956754163,0.97485607566308,0.9856589678568981,0.9872652662600233
EOS-1-00993,Fc1ccc2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)ccc2n1,FZURVGWEMIKNOD-UHFFFAOYSA-N,1,1,0.679,88,781,454.292,5.407,5,0.333,0.87,1.0,0.9796107189363306,0.9742135563018299,0.9482472071825098,0.9666146939894456,0.967171544102529
EOS-1-00994,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccccc5)c4)n23)cc1F,IDYVVGOZHJIELS-UHFFFAOYSA-N,1,1,0.868,79,650,428.442,5.358,5,0.365,0.76,1.0,0.9783428140634638,0.9547580700431773,0.94950654513056,0.9522822287711603,0.9587224145020903
EOS-1-00995,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C#Cc5ccc(Br)cn5)cc4)n23)cc1F,AKDPAJKRKMTQPW-UHFFFAOYSA-N,1,1,0.74,91,485,532.348,5.248,5,0.29,0.74,1.0,0.9856589678568981,0.9866527311356316,0.9649869782742787,0.9517510794325269,0.9722624391748338
EOS-1-00996,CS(=O)(=O)c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1F,RLAZKBOHBJLOLY-UHFFFAOYSA-N,1,1,0.797,48,576,412.446,2.955,4,0.484,0.82,1.0,0.9191967651291892,0.865327941881982,0.5480947159207731,0.565117195531492,0.724434154615859
EOS-1-00997,FS(F)(F)(F)(F)c1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,PHYYOLMVTBWWMA-UHFFFAOYSA-N,1,1,0.824,48,64,476.858,6.724,4,0.29,0.67,0.999,0.9974556233294497,0.9963676238777328,0.9999828661503667,0.9999571653759166,0.9984408196833665
EOS-1-00998,CC(Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1F)C(F)(F)F,MCCQUUQCZCXKMH-UHFFFAOYSA-N,1,1,0.743,48,240,480.849,5.535,4,0.325,0.66,1.0,0.9897282571448153,0.9880662737303817,0.9962819546295661,0.9927181139058323,0.9916986498526489
EOS-1-00999,Fc1cccc(COc2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc2)c1,NJDPTWYKEPJEPX-UHFFFAOYSA-N,1,1,0.716,79,397,474.923,5.784,5,0.285,0.84,1.0,0.9817181824412309,0.9899252964155987,0.947647522445343,0.9462082790761428,0.9663748200945788
EOS-1-01000,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4Cl)n23)cn1,KDVLTTAYOPHSQZ-UHFFFAOYSA-N,1,1,0.783,48,906,369.787,3.6,4,0.503,0.86,1.0,0.8837982317867178,0.9325183332191077,0.7854842025906381,0.8371513261599616,0.8597380234391063
EOS-1-01001,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1Cl,YREKRWMDZYIRRU-UHFFFAOYSA-N,1,1,0.817,79,590,460.896,5.998,5,0.298,0.84,1.0,0.9845281337810979,0.9851535192927147,0.9446833664587759,0.944580563360976,0.9647363957233911
EOS-1-01002,Fc1cccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)c1,WBZUBXABXMENJU-UHFFFAOYSA-N,1,1,0.789,90,400,353.332,3.086,4,0.516,0.87,1.0,0.880003084092934,0.9043931190459873,0.8022668083064903,0.8107994654238915,0.8493656192173258
EOS-1-01004,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1OCc1ccccc1,MCMXAAJTOHDEDY-UHFFFAOYSA-N,1,1,0.737,79,397,474.923,5.784,5,0.285,0.83,1.0,0.9875265574669316,0.9890000685353986,0.9446919333835926,0.9406055102460421,0.9654560174079913
EOS-1-01005,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c(C(F)(F)F)c1,DZVJWVDXXXICRB-UHFFFAOYSA-N,1,1,0.77,79,650,478.449,6.238,5,0.271,0.8,1.0,0.9956051675690494,0.9913302720855321,0.9946199712151326,0.9911846343636488,0.9931850113083407
EOS-1-01007,COc1ccc(Cl)cc1-c1nnc2cncc(OCCc3ccc(F)cc3)n12,CKRHPPJJXXXIKF-UHFFFAOYSA-N,1,1,0.718,48,231,398.825,4.214,4,0.486,0.86,1.0,0.9257161949146734,0.8472345966691797,0.8886042766088684,0.8746059214584333,0.8840402474127887
EOS-1-01009,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccccc5)c4)n23)cc1,YAHJLIFUQARKBE-UHFFFAOYSA-N,1,1,0.783,79,650,410.452,5.219,5,0.385,0.88,1.0,0.9516397094099103,0.9668717017339455,0.8971112329518196,0.9064748817764375,0.9305243814680283
EOS-1-01010,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Sc5ccc(Cl)cc5)cc4)n23)cc1F,VRMZASNUNNJRAV-UHFFFAOYSA-N,1,1,0.817,79,590,494.954,6.496,5,0.258,0.81,1.0,0.9914159413336988,0.9948769789596327,0.9820694263587143,0.9869782742786649,0.9888351552326776
EOS-1-01011,COCOc1ccc(-c2nnc3cncc(OCCc4ccc(F)c5ccccc45)n23)cc1,MQHTWPYCIZKWPR-UHFFFAOYSA-N,1,1,0.581,79,824,444.466,4.688,5,0.324,0.76,1.0,0.9886402576930985,0.9629994517168118,0.8933503529573025,0.843019669659379,0.922002433006648
EOS-1-01012,OCc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)c1,HUZNVBZQBXNMJZ-UHFFFAOYSA-N,1,1,0.646,48,231,398.825,3.698,4,0.536,0.82,1.0,0.9269755328627236,0.8975053114933863,0.9265728873963403,0.9239771091768899,0.918757710232335
EOS-1-01014,COc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4O)n23)cc1,SVSDOPYPOWOKKQ-UHFFFAOYSA-N,1,1,0.667,48,396,380.379,3.266,4,0.553,0.83,1.0,0.9340603796861079,0.8183640600370091,0.7915924199849222,0.6754334863957234,0.8048625865259407
EOS-1-01015,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C#Cc5ccc(Cl)cc5)nc4)n23)cc1,XBKGXGJYLVQOMK-UHFFFAOYSA-N,1,1,0.709,91,397,469.907,5.0,5,0.339,0.79,1.0,0.9653724898910288,0.9834401343293812,0.9440922486464258,0.9445891302857926,0.959373500788157
EOS-1-01016,O=S(=O)(O)c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,QJYFBYNOJLZXRV-UHFFFAOYSA-N,1,1,0.797,48,231,430.873,3.313,4,0.467,0.87,1.0,0.892870605167569,0.8820334452744842,0.7050836131862107,0.722971352203413,0.8007397539579192
EOS-1-01018,Fc1ccc2ncc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2c1,HZSBHNCKIVRQIN-UHFFFAOYSA-N,1,1,0.662,88,231,419.847,4.754,5,0.411,0.85,1.0,0.937358645740525,0.9585018161880612,0.894575423206086,0.927044068261257,0.9293699883489823
EOS-1-01019,Clc1cccc(CCOc2cncc3nnc(-c4ccc5cc(Cl)ccc5c4)n23)c1,JVPSKBPFAUFCAG-UHFFFAOYSA-N,1,1,0.727,91,660,435.314,5.873,5,0.346,0.82,1.0,0.9674628195462956,0.9880748406551985,0.9470307038585429,0.9743934617229799,0.9692404564457542
EOS-1-01021,Fc1ccc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)c(Cl)c4)n23)c(Cl)c1,JHBLYBQLTLSRSD-UHFFFAOYSA-N,1,1,0.747,23,240,487.24,5.757,4,0.324,0.67,1.0,0.985144952367898,0.9911246658899322,0.997806867246933,0.9985093550818998,0.9931464601466657
EOS-1-01024,Fc1cc(CCOc2cncc3nnc(-c4ccccc4OC(F)(F)F)n23)ccc1Cl,OJNCEXXFEZCJMG-UHFFFAOYSA-N,1,1,0.733,48,240,452.795,5.104,4,0.381,0.78,1.0,0.9530618189294771,0.9644900966349119,0.9950397505311493,0.9933092317181824,0.9764752244534302
EOS-1-01026,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5Cl)cc4)n23)cc1,WTCOYYFNQUXZPJ-UHFFFAOYSA-N,1,1,0.743,79,590,460.896,5.998,5,0.298,0.86,1.0,0.9770834761154136,0.9911332328147489,0.9447005003084092,0.9483671441299432,0.9653210883421287
EOS-1-01029,c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1,GWVGRLIZACHASZ-UHFFFAOYSA-N,1,1,0.803,48,135,317.352,2.808,4,0.566,0.91,1.0,0.8928791720923858,0.6472825714481529,0.39321328216023577,0.40175450620245357,0.5837823829758071
EOS-1-01030,Cc1ccccc1-c1nnc2cncc(OCCc3ccc(F)cc3F)n12,XVKIEAHUUJDPFQ-UHFFFAOYSA-N,1,1,0.699,48,906,366.371,3.999,4,0.536,0.83,1.0,0.8874991433075183,0.8873706394352683,0.8922366527311356,0.8830272085532177,0.887533411006785
EOS-1-01032,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c1,QKZXISOREWJUQV-UHFFFAOYSA-N,1,1,0.711,91,883,427.895,5.128,5,0.376,0.81,1.0,0.9680111027345624,0.9653981906654787,0.8565554108697142,0.8786923445959838,0.9171642622164348
EOS-1-01034,O=S(=O)(c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F)C(F)F,JUTGQRZLFYINNF-UHFFFAOYSA-N,1,1,0.76,48,240,482.871,4.202,4,0.392,0.75,1.0,0.9245082585155233,0.9604379411966281,0.9059180316633542,0.9462168460009595,0.9342702693441163
EOS-1-01035,Clc1cccc(CCOc2cncc3nnc(-c4ccc5ncccc5c4)n23)c1,VNYXJEAPOWJOBW-UHFFFAOYSA-N,1,1,0.639,91,660,401.857,4.614,5,0.43,0.85,1.0,0.9353368514837914,0.9526848742375437,0.7934942772942225,0.8503015557535467,0.8829543896922761
EOS-1-01037,Fc1cccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)c1,BTWFNODQPDKGPD-UHFFFAOYSA-N,1,1,0.781,57,485,446.432,5.497,5,0.346,0.79,1.0,0.9592128709478446,0.9818295524638476,0.9762439174833801,0.9795079158385306,0.9741985641834008
EOS-1-01038,Fc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)c(F)c1Cl,IYAOAXNCRVWLHO-UHFFFAOYSA-N,1,1,0.641,90,281,387.777,3.739,4,0.488,0.74,1.0,0.92451682544034,0.9536872044410938,0.8751713384963333,0.8939414707696526,0.9118292097868549
EOS-1-01039,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1S(F)(F)(F)(F)F,FSFPMVMMULLOIU-UHFFFAOYSA-N,1,1,0.821,48,64,494.848,6.863,4,0.275,0.67,1.0,0.9976697964498663,0.997421355630183,0.9999914330751833,0.9999657323007334,0.9987620793639915
EOS-1-01040,FC(F)Oc1ccc(Cl)cc1-c1nnc2cncc(OCCc3ccccn3)n12,FRKATHKXWXCVGM-UHFFFAOYSA-N,1,1,0.688,90,305,417.803,4.063,4,0.451,0.77,1.0,0.9257247618394902,0.897513878418203,0.8864111438558016,0.8787009115208005,0.8970876739085738
EOS-1-01041,Fc1ccc2ncc(-c3ccc(-c4nnc5cncc(OCCc6ccccc6)n45)cc3)cc2c1,VUFATJCBDFPGKB-UHFFFAOYSA-N,1,1,0.691,12,650,461.5,5.767,6,0.315,0.74,1.0,0.9897368240696319,0.9803817421698308,0.8886128435336852,0.8968542252073196,0.9388964087451169
EOS-1-01042,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ncc(Cl)cc5F)cc4)n23)cc1F,KBGNSKAXQWKPMI-UHFFFAOYSA-N,1,1,0.72,88,485,497.864,5.671,5,0.288,0.74,1.0,0.9813926392981975,0.9875522582413817,0.9645329312589953,0.9575423206085943,0.9727550373517923
EOS-1-01043,Fc1cccc(Oc2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc2)c1,VEWMBIDSHNUDEP-UHFFFAOYSA-N,1,1,0.697,79,590,460.896,5.998,5,0.298,0.8,1.0,0.9842025906380646,0.9899338633404153,0.9414365019532589,0.94981495442396,0.9663469775889246
EOS-1-01044,c1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,IVTRVYIKHZZBQN-UHFFFAOYSA-N,1,1,0.785,79,650,393.45,4.475,5,0.426,0.83,1.0,0.9466965937906929,0.829972243163594,0.7177797957645123,0.7125111370022617,0.8017399424302653
EOS-1-01045,Clc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1OCc1ccccc1,MLDHSQSBFOUFAR-UHFFFAOYSA-N,1,1,0.743,79,824,456.933,5.645,5,0.302,0.8,1.0,0.9723631005414296,0.9837571105475978,0.8852803097800014,0.8758566924816668,0.929314303337674
EOS-1-01046,FC1(F)Oc2cc(Cl)c(-c3nnc4cncc(OCCc5ccccc5)n34)cc2O1,IGYWIWUGJVILGL-UHFFFAOYSA-N,1,1,0.707,48,40,430.798,4.388,5,0.467,0.66,1.0,0.9642073881159618,0.9241056130491399,0.9814012062230142,0.967659858817079,0.9593435165512987
EOS-1-01047,c1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,JFQMJLXERHSPRM-UHFFFAOYSA-N,1,1,0.785,91,660,394.438,3.87,5,0.435,0.83,1.0,0.930830649030224,0.8402953875676787,0.5714138852717429,0.5455503392502228,0.722022565279967
EOS-1-01048,Cc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cn1,ZYNNKZBKNUOKNV-UHFFFAOYSA-N,1,1,0.75,48,135,331.379,3.116,4,0.562,0.89,1.0,0.8451185662394627,0.6960626413542594,0.42927146871359056,0.38600849838941814,0.5891152936741827
EOS-1-01049,COc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccc(Cl)c(F)c5)cc4)n23)cc1,FWWULFDCACSMLP-UHFFFAOYSA-N,1,1,0.709,79,590,490.922,6.006,5,0.265,0.82,1.0,0.9888115961894318,0.9803903090946474,0.95009766294291,0.9219210472208896,0.9603051538619697
EOS-1-01050,CC(=O)Nc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,LMYBFUABTBYIII-UHFFFAOYSA-N,1,1,0.816,48,231,407.861,4.025,4,0.522,0.87,1.0,0.9192053320540059,0.5377116030429717,0.6093567952847646,0.5157888424371188,0.6455156432047153
EOS-1-01051,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)cc1,AIONKKUFZMCYOU-UHFFFAOYSA-N,1,1,0.711,57,660,429.43,4.753,5,0.39,0.8,1.0,0.9441436501953259,0.9294428072099239,0.9003923651566034,0.9006579398259201,0.9186591905969432
EOS-1-01052,O=[N+]([O-])c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1OC(F)F,MTENQGPNNUYVKC-UHFFFAOYSA-N,1,1,0.775,48,948,496.257,5.229,4,0.243,0.79,1.0,0.9845367007059146,0.942541635254609,0.9428757453224591,0.8939500376944692,0.940976029744363
EOS-1-01053,Cc1ccccc1-c1nnc2cncc(OCCc3ccc(OC(F)(F)F)cc3)n12,QGXKPENHBSTNMX-UHFFFAOYSA-N,1,1,0.671,48,40,414.387,4.62,4,0.461,0.81,1.0,0.9205589061750394,0.8975224453430196,0.979730655883764,0.9462254129257761,0.9360093550818998
EOS-1-01054,COc1ccccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,WWCRWADWFRHXHV-UHFFFAOYSA-N,1,1,0.841,48,396,380.835,4.075,4,0.504,0.88,1.0,0.8076982386402577,0.7061544787882942,0.7671938181070523,0.7391457062572819,0.7550480604482215
EOS-1-01055,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)cc1F,KSYRZEZPXCXBIX-UHFFFAOYSA-N,1,1,0.803,57,485,464.422,5.636,5,0.306,0.74,1.0,0.9758412720169968,0.982540607223631,0.9890000685353986,0.9909533273935988,0.9845838187924063
EOS-1-01056,O=[N+]([O-])c1cc(F)ccc1-c1nnc2cncc(OCCc3ccc(F)cc3)n12,YJPYTOFKXUFLTF-UHFFFAOYSA-N,1,1,0.736,48,231,397.341,3.599,4,0.364,0.81,1.0,0.9674713864711123,0.6524055924885204,0.7126482077993284,0.5934565828250291,0.7314954423959974
EOS-1-01057,Clc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccc5)cc4)n23)cc1Cl,MOEABKRIFUCBEJ-UHFFFAOYSA-N,1,1,0.806,79,397,491.378,6.299,5,0.255,0.87,1.0,0.9799191282297307,0.9794479473648139,0.9506459461311767,0.9510143238982934,0.9652568364060037
EOS-1-01058,FC(F)(F)C(OCc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1)C(F)(F)F,GZHOELDCICWXDU-UHFFFAOYSA-N,1,1,0.679,48,240,530.856,6.076,4,0.259,0.77,1.0,0.9906534850250154,0.986952573504215,0.99966588993215,0.9990833390446165,0.9940888218764993
EOS-1-01059,Fc1ccc(COc2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)cc1,OOOKEXBPXHLHJE-UHFFFAOYSA-N,1,1,0.74,79,397,474.923,5.784,5,0.285,0.91,1.0,0.9709067233225961,0.97513878418203,0.9501062298677266,0.9483757110547598,0.9611318621067781
EOS-1-01061,Fc1ccc(F)c(-c2nnc3cncc(OCCc4ccccn4)n23)c1,XORSTAPSMWAXPA-UHFFFAOYSA-N,1,1,0.628,90,400,353.332,3.086,4,0.552,0.82,1.0,0.8697741758618326,0.8535055856349805,0.7283770817627304,0.7571619491467343,0.8022046981015694
EOS-1-01062,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccno5)cc4)n23)cc1,UTFIYKPHMKAXBB-UHFFFAOYSA-N,1,1,0.821,91,883,417.856,4.721,5,0.397,0.81,1.0,0.9269840997875403,0.9204732369268728,0.8042029333150572,0.8152971009526421,0.8667393427455281
EOS-1-01063,O=[N+]([O-])c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)cc2)cc1,IKVAGEQZIJRCBM-UHFFFAOYSA-N,1,1,0.803,79,497,455.449,5.127,5,0.249,0.82,1.0,0.9903365088067987,0.8975310122678364,0.8271194571996436,0.6872729764923583,0.8505649886916592
EOS-1-01066,c1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cc1,HNNJREDKPPIZFQ-UHFFFAOYSA-N,1,1,0.839,79,650,393.45,4.475,5,0.426,0.82,1.0,0.8995528065245699,0.7648122130080186,0.7309471592077308,0.7204355424576794,0.7789369302994996
EOS-1-01067,Brc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1,DKKSWUYASFDKIR-UHFFFAOYSA-N,1,1,0.786,79,590,487.357,5.968,5,0.283,0.89,1.0,0.9709152902474127,0.9742221232266466,0.862595092865465,0.8450928654650127,0.9132063429511342
EOS-1-01068,O=[N+]([O-])c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1C(F)(F)F,GIJCKZAOGZDGKC-UHFFFAOYSA-N,1,1,0.772,48,240,465.338,4.618,4,0.234,0.77,1.0,0.9845452676307312,0.897539579192653,0.9883575491741484,0.9503718045370434,0.955203550133644
EOS-1-01069,CCN(CC)c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,KSOVWJQFNKTTLN-UHFFFAOYSA-N,1,1,0.809,48,576,421.932,4.912,4,0.404,0.85,1.0,0.9028853402782537,0.8713933246521829,0.5871770269344116,0.502193132753067,0.7159122061544788
EOS-1-01070,CN(C)Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1Cl,HMUHSXBDDAFRPO-UHFFFAOYSA-N,1,1,0.775,48,231,442.35,4.781,4,0.412,0.84,1.0,0.838222191762045,0.9241141799739565,0.8626036597902816,0.8520834761154136,0.8692558769104242
EOS-1-01071,Fc1ccc(CCOc2cncc3nnc(-c4cccc(Oc5ccccc5)c4)n23)cc1,SUOHZQICWXQSMZ-UHFFFAOYSA-N,1,1,0.73,79,590,426.451,5.344,5,0.351,0.83,1.0,0.945043177301076,0.9515711740113769,0.8816479336577342,0.8684977040641492,0.9116899972585841
EOS-1-01072,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cc(F)cnn5)c4)n23)cc1,QTUMRRCYMFSBSS-UHFFFAOYSA-N,1,1,0.692,91,660,430.418,4.148,5,0.403,0.67,1.0,0.9308392159550408,0.9149904050442054,0.8375197039270783,0.8411520800493455,0.8811253512439176
EOS-1-01073,O=S(=O)(c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1)c1ccccc1F,WQLZIQUGHSYFLB-UHFFFAOYSA-N,1,1,0.784,79,397,510.497,4.663,5,0.317,0.73,1.0,0.9432441230895757,0.9585103831128778,0.929982523473374,0.9437153039544925,0.9438630834075801
EOS-1-01074,CC(C)(C)Nc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,XYDWTLSNJSSHRW-UHFFFAOYSA-N,1,1,0.785,48,576,387.487,4.623,4,0.523,0.9,1.0,0.9330323487081077,0.42097011856623945,0.6153365088067987,0.35078130354328013,0.5800300699061065
EOS-1-01075,O=S(=O)(c1ccccc1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,YEDWKJZVRZKMCB-UHFFFAOYSA-N,1,1,0.829,79,824,492.507,4.524,5,0.332,0.77,1.0,0.9340689466109245,0.9241227468987732,0.8875933794805017,0.9017545062024536,0.9118848947981633
EOS-1-01076,CC(C)Nc1ccc(CCOc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1,BTUAOAGKCOYMQY-UHFFFAOYSA-N,1,1,0.781,48,231,409.44,4.511,4,0.487,0.82,1.0,0.8741347405935166,0.715415324515112,0.8816565005825509,0.7817147556713042,0.813230330340621
EOS-1-01077,Clc1ccc(CCOc2cncc3nnc(-c4cccc(OCc5ccccc5)c4)n23)cc1,NNAQDNILSBSAOZ-UHFFFAOYSA-N,1,1,0.724,79,824,456.933,5.645,5,0.302,0.87,1.0,0.9410681241861422,0.954766636967994,0.8945839901309026,0.8885700089096018,0.9197471900486602
EOS-1-01079,N#Cc1ccccc1Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,FHJNFUYFKZCHNO-UHFFFAOYSA-N,1,1,0.75,79,824,433.471,5.077,5,0.356,0.78,0.999,0.9509543554245768,0.9019943800973202,0.8550047974778974,0.8153056678774587,0.8808148002193132
EOS-1-01080,Fc1cccc(Cl)c1-c1nnc2cncc(OCCc3ccc(-c4ccccc4)cc3)n12,JVQWCCKYKRUIRB-UHFFFAOYSA-N,1,1,0.754,79,650,444.897,5.872,5,0.328,0.81,1.0,0.9555376602014941,0.9746504694674799,0.9330580494825578,0.9517596463573436,0.9537514563772189
EOS-1-01081,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccc5F)c(Cl)c4)n23)cc1F,MZZREKURDFXDPZ-UHFFFAOYSA-N,1,1,0.691,57,485,510.903,6.063,5,0.254,0.71,1.0,0.9842111575628812,0.9869611404290316,0.9863785895414982,0.9853419916386814,0.9857232197930231
EOS-1-01082,O=C(O)COc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,DJVIODHFCXVWIV-UHFFFAOYSA-N,1,1,0.797,48,576,390.399,2.876,4,0.494,0.83,1.0,0.852177712288397,0.4165667192104722,0.44055410869714207,0.2879686107874717,0.49931678774587074
EOS-1-01083,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1Cl,XMAQAFPMYOGDBE-UHFFFAOYSA-N,1,1,0.817,79,590,477.351,6.512,5,0.267,0.86,1.0,0.9758498389418134,0.9761582482352135,0.9453601535192927,0.9536443698170105,0.9627531526283325
EOS-1-01084,Fc1ccc(CCOc2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)cn1,BMFUESZTMFRNAG-UHFFFAOYSA-N,1,1,0.63,48,240,403.339,3.966,4,0.373,0.83,1.0,0.9164039476389555,0.9384123774929751,0.989454115550682,0.9739736824069632,0.9545610307723941
EOS-1-01085,Fc1ccc(CNCCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,KORWTCHRSUCAJS-UHFFFAOYSA-N,1,1,0.684,48,40,429.402,3.7,4,0.409,0.86,1.0,0.8697827427866494,0.6960712082790761,0.9315674045644575,0.9017630731272702,0.8497961071893634
EOS-1-01086,FC(F)(F)c1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cn1,LPENEXVODHRAGB-UHFFFAOYSA-N,1,1,0.705,79,397,511.891,6.272,5,0.256,0.85,1.0,0.9827804811184977,0.9869697073538483,0.9874323212939483,0.969724487697896,0.9817267493660476
EOS-1-01087,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)cn1,VKMAEEBAEFMZEW-UHFFFAOYSA-N,1,1,0.778,91,781,432.434,4.092,5,0.404,0.79,1.0,0.8800116510177507,0.8333733123158111,0.8909259132341855,0.8537368926050305,0.8645119422931944
EOS-1-01088,Fc1ccc(-c2ccccc2-c2nnc3cncc(OCCc4ccccc4)n23)nc1,LEMQTWDBNJRYLH-UHFFFAOYSA-N,1,1,0.697,79,824,411.44,4.614,5,0.408,0.74,1.0,0.8981135631553697,0.8873792063600849,0.7486207251045165,0.7649749845795353,0.8247721197998766
EOS-1-01089,Fc1ccc(CNc2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)cc1,OLLXUZOBNNHDCX-UHFFFAOYSA-N,1,1,0.763,57,485,475.474,5.442,5,0.324,0.82,1.0,0.9685251182235625,0.8299808100884106,0.964541498183812,0.947698923994243,0.9276865876225071
EOS-1-01090,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccc(OC(F)(F)F)cc5)cc4)n23)cc1,SMGXHKQUPPIUDO-UHFFFAOYSA-N,1,1,0.743,79,590,510.447,6.243,5,0.23,0.8,1.0,0.9825920087725311,0.9937547118086492,0.992778082379549,0.9838085120964979,0.9882333287643068
EOS-1-01091,c1ccc(CCOc2cncc3nnc(-c4ccc(NC5CC5)cc4)n23)cc1,TUHGDJMHMVKOQD-UHFFFAOYSA-N,1,1,0.761,48,576,371.444,3.987,5,0.532,0.87,1.0,0.9090963607703378,0.3739205674730999,0.3442704406826126,0.41144369817010484,0.5096827667740387
EOS-1-01092,O=C(O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,QNFAOQXESUNGCL-UHFFFAOYSA-N,1,1,0.875,48,231,394.818,3.764,4,0.535,0.87,1.0,0.8127869919813584,0.4070745665136043,0.7337399766979645,0.6609553834555548,0.6536392296621205
EOS-1-01093,c1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)cc1,ARUBHGWIBXZETQ-UHFFFAOYSA-N,1,1,0.729,79,824,393.45,4.475,5,0.426,0.85,1.0,0.8720272770886163,0.6764358165992735,0.6452436433417861,0.6410544171064355,0.7086902885340279
EOS-1-01094,c1ccc(CCOc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)cc1,XMLNOCPNMVXJPU-UHFFFAOYSA-N,1,1,0.718,79,824,394.438,3.87,5,0.435,0.79,1.0,0.8382307586868618,0.7604002467274347,0.5412154752929889,0.5356812418614214,0.6688819306421767
EOS-1-01095,O=C(Oc1cccc(F)c1)c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,UEOMWNSDXRDRSK-UHFFFAOYSA-N,1,1,0.747,79,824,454.461,4.771,5,0.26,0.84,1.0,0.9611661298060448,0.8714018915769995,0.8144661092454253,0.744251593448016,0.8478214310191213
EOS-1-01096,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc6ccccc6n5)cc4)n23)c1,MXJNIIRBLGANDI-UHFFFAOYSA-N,1,1,0.628,79,650,477.955,6.281,6,0.282,0.83,1.0,0.9845538345555479,0.9736053046398465,0.8654650126790487,0.8954235487629361,0.9297619251593449
EOS-1-01097,c1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc6c(c5)OCO6)c4)n23)cc1,UZSRTZUMGRENOA-UHFFFAOYSA-N,1,1,0.816,79,824,436.471,4.809,6,0.381,0.8,1.0,0.9283376739085738,0.570094578849976,0.8144746761702419,0.754540470152834,0.7668618497704064
EOS-1-01098,O=[N+]([O-])c1ccccc1-c1nnc2cncc(OCCc3ccc(F)cc3)n12,FXQROYXNLPBLKN-UHFFFAOYSA-N,1,1,0.847,48,231,379.351,3.46,4,0.376,0.86,1.0,0.9091049276951545,0.3546278527859639,0.5277996710300871,0.370202522102666,0.5404337434034678
EOS-1-01099,COc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)nc1,NIWSMORVUKOMNR-UHFFFAOYSA-N,1,1,0.675,79,660,457.921,5.137,5,0.337,0.88,1.0,0.9245253923651566,0.8684977040641492,0.8271280241244603,0.7840877938455212,0.8510597285998218
EOS-1-01100,O=[N+]([O-])c1ccccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12,XRSAXEUOVWXUHF-UHFFFAOYSA-N,1,1,0.822,48,948,397.341,3.599,4,0.364,0.76,1.0,0.9353454184086081,0.4119148790350216,0.717788362689329,0.5651257624563086,0.6575436056473167
EOS-1-01101,Fc1ccc(COc2ccccc2-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,BNGQZEQMTXZMHV-UHFFFAOYSA-N,1,1,0.705,79,397,476.458,5.409,5,0.3,0.77,1.0,0.9546809677198272,0.904401685970804,0.9688078267425125,0.9586474539099444,0.9466344835857721
EOS-1-01102,O=[N+]([O-])c1ccccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,HQHQSPHHFTVXBQ-UHFFFAOYSA-N,1,1,0.847,48,231,395.806,3.974,4,0.362,0.85,1.0,0.887507710232335,0.43461722979919126,0.5278082379549037,0.42401137687615653,0.5684861387156467
EOS-1-01103,CC(C)(C)NS(=O)(=O)c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,JMALIXABZCXZCR-UHFFFAOYSA-N,1,1,0.764,48,378,485.997,4.143,4,0.422,0.87,1.0,0.7653604961962854,0.7013055993420602,0.5310037009115208,0.4556061956000274,0.6133189980124735
EOS-1-01104,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc6ccccc6s5)cc4)n23)cc1F,YBQQGBYABVYHSV-UHFFFAOYSA-N,1,1,0.704,79,650,485.519,5.968,6,0.291,0.76,1.0,0.9695360153519292,0.9370416695223083,0.8670841614693989,0.8668785552737989,0.9101351004043589
EOS-1-01105,Fc1ccccc1Oc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1Cl,CSLNQPGGWRJIOT-UHFFFAOYSA-N,1,1,0.705,79,590,495.341,6.651,5,0.253,0.77,1.0,0.9758584058666301,0.9872524158727983,0.9682766774038791,0.9764580906037968,0.9769613974367761
EOS-1-01106,O=S(=O)(c1ccc(F)cc1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F,OYQLUXSHNSYKLS-UHFFFAOYSA-N,1,1,0.75,79,397,526.952,5.177,5,0.272,0.75,1.0,0.9106812418614214,0.9611832636556782,0.9283119731341237,0.9556318963744774,0.9389520937564253
EOS-1-01107,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-n5cccc5)c(F)c4)n23)cc1,SWVKJXRHFMEGEJ-UHFFFAOYSA-N,1,1,0.73,91,660,417.419,4.482,5,0.409,0.72,1.0,0.869791309711466,0.7061630457131108,0.9117521074635049,0.9110410527037215,0.8496868788979508
EOS-1-01108,c1ccc(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)cc1,VNMMSJKXIAESIW-UHFFFAOYSA-N,1,1,0.75,79,824,393.45,4.475,5,0.426,0.82,1.0,0.7993797546432733,0.6278527859639503,0.7025306695908436,0.7038328421629771,0.7083990130902611
EOS-1-01109,O=C(O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,BBJUILBRARURJB-UHFFFAOYSA-N,1,1,0.875,48,231,378.363,3.25,4,0.554,0.9,1.0,0.7993883215680899,0.1496727434720033,0.7309557261325474,0.6116441642108149,0.5729152388458639
EOS-1-01110,O=C(Oc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)cc1)c1ccc(Cl)cc1,DQRSKNYPDMYWKH-UHFFFAOYSA-N,1,1,0.662,79,397,506.896,5.564,5,0.212,0.79,1.0,0.9709238571722295,0.9547752038928107,0.9482557741073264,0.9362706462888082,0.9525563703652937
EOS-1-01111,Cn1nc(C#N)c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ccc21,QNGUTVKPNMCMJW-UHFFFAOYSA-N,1,1,0.675,48,309,395.426,3.171,5,0.454,0.76,1.0,0.747781166472483,0.7244534301966966,0.47933657734219726,0.45561476252484406,0.6017964841340552
EOS-1-01112,Clc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5c(Cl)cccc5Cl)cc4)n23)cc1,KXTVKUHLBLZCKI-UHFFFAOYSA-N,1,1,0.743,79,397,525.823,6.952,5,0.219,0.8,1.0,0.9754985950243301,0.9869782742786649,0.9720375573983963,0.9805273798917141,0.9787604516482763
EOS-1-01113,Cc1cccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c(=O)c1,KYDKUTUJJMPKLR-UHFFFAOYSA-N,1,1,0.722,48,231,376.391,3.221,4,0.535,0.74,1.0,0.689988691659242,0.5655969433212255,0.7177969296141457,0.720444109382496,0.6734566684942773
EOS-1-01114,Fc1cc(Cl)cc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cc2)c1,UNSLICQGCWTDCB-UHFFFAOYSA-N,1,1,0.77,57,485,529.786,7.304,5,0.221,0.73,1.0,0.9842197244876979,0.9924097046124323,0.9855818655335481,0.9921955314920157,0.9886017065314234
EOS-1-01115,O=C(NCc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1)c1ccccc1F,PAOBFZTZYAWVSP-UHFFFAOYSA-N,1,1,0.688,79,824,467.504,4.482,5,0.364,0.9,1.0,0.9091134946199713,0.4873552189705983,0.7256956342951134,0.6609639503803715,0.6957820745665136
EOS-1-01116,Fc1cccc(CCOc2cncc3nnc(-c4ccc(C=Cc5ccc(OC(F)(F)F)cc5)cc4)n23)c1,SWPSCLAMHGAZSR-UHFFFAOYSA-N,1,1,0.662,79,397,520.486,6.621,5,0.17,0.77,1.0,0.9903450757316153,0.9902594064834487,0.9916386813789322,0.9808529230347475,0.9882740216571858
EOS-1-01117,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cc2)c(Cl)c1,YWVXDJBZKWGJEX-UHFFFAOYSA-N,1,1,0.74,57,485,529.786,7.304,5,0.221,0.77,1.0,0.9789681995750805,0.989942430265232,0.9863871564663148,0.9924097046124323,0.9869268727297649
EOS-1-01118,CN(C)CCNC(=O)c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,NZFQHZHLGFEEJF-UHFFFAOYSA-N,1,1,0.696,48,378,464.957,3.358,4,0.409,0.87,1.0,0.6870416695223083,0.6092111575628812,0.34051812761291206,0.2583870193955178,0.4737894935234049
EOS-1-01119,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4OCc4ccc(F)cc4)n23)cc1,PKMKXZPCVIBHND-UHFFFAOYSA-N,1,1,0.733,79,397,458.468,5.27,5,0.317,0.87,1.0,0.8761222671509835,0.7820402988143376,0.937255842642725,0.9228976766499897,0.8795790213145089
EOS-1-01120,c1ccc(CCOc2cncc3nnc(-c4ccc(-n5cnnn5)cc4)n23)cc1,AKKABOIQDWZRRO-UHFFFAOYSA-N,1,1,0.729,91,309,384.403,2.388,5,0.443,0.85,1.0,0.7111832636556782,0.49176718525118224,0.3041086971420739,0.30023644712494,0.4518238982934686
EOS-1-01121,O=S(=O)(c1ccc(F)cc1)c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1F,XZJMXHMUHLDNHN-UHFFFAOYSA-N,1,1,0.773,57,397,528.487,4.802,5,0.223,0.72,1.0,0.9059780001370707,0.9325269001439244,0.9595469810156946,0.9714978411349462,0.942387430607909
EOS-1-01122,O=S(=O)(c1cccnc1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1F,YFQUWIOGSXCMCD-UHFFFAOYSA-N,1,1,0.701,91,397,493.495,3.919,5,0.339,0.75,1.0,0.7768316085258036,0.8299893770132273,0.7916009869097389,0.8311544787882942,0.8073941128092659
EOS-1-01123,O=S(=O)(c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1)c1ccccn1,LITQBDUPKRJQBW-UHFFFAOYSA-N,1,1,0.733,79,397,475.505,3.78,5,0.353,0.71,1.0,0.6839490096634911,0.8627664313617983,0.5746521828524432,0.6175724761839491,0.6847350250154205
EOS-1-01124,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4OCc4ccccc4)n23)cc1F,ZNVMOJIDGXBJMK-UHFFFAOYSA-N,1,1,0.737,79,824,458.468,5.27,5,0.317,0.77,1.0,0.8838067987115346,0.7290795695976973,0.9330666164073744,0.9110496196285381,0.8642506510862861
EOS-1-01125,O=[N+]([O-])c1cccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccc5)cc4)n23)c1,QNQYHRKCUUVNJA-UHFFFAOYSA-N,1,1,0.753,79,824,467.485,4.9,5,0.224,0.82,1.0,0.9530703858542937,0.5193355493112193,0.6674405455417723,0.4304280035638407,0.6425686210677816
EOS-1-01126,COc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nc1,YXRMSAHOXZKYQP-UHFFFAOYSA-N,1,1,0.711,79,824,423.476,4.483,5,0.384,0.82,1.0,0.8077068055650743,0.4739565485573299,0.667449112466589,0.5685096977588925,0.6294055410869714
EOS-1-01127,Fc1ccc(CCOc2cncc3nnc(-c4ccccc4Oc4ccccc4)n23)cc1,MJCUQSAIDRIKAI-UHFFFAOYSA-N,1,1,0.684,79,590,426.451,5.344,5,0.351,0.81,1.0,0.8152114317044754,0.7734819409224865,0.8565639777945309,0.846763415804263,0.8230051915564389
EOS-1-01128,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-n5cnnn5)cc4)n23)cc1F,CZFFNNAXIHJHKO-UHFFFAOYSA-N,1,1,0.727,91,781,420.383,2.667,5,0.417,0.73,1.0,0.6561921732574875,0.5855578781440615,0.712656774724145,0.6957799328353095,0.6625466897402509
EOS-1-01130,O=S(=O)(c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1)c1ccc2ccccc2c1,KJTDBMYLCVZXOH-UHFFFAOYSA-N,1,1,0.725,79,824,542.567,5.677,6,0.258,0.74,1.0,0.9164125145637722,0.9340261119868412,0.9283205400589405,0.9430470838187924,0.9304515626070865
EOS-1-01131,O=C(Nc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1)C(F)F,WOQMVJYWVVNTJN-UHFFFAOYSA-N,1,1,0.786,48,231,443.841,4.27,4,0.461,0.83,1.0,0.632453224590501,0.4024055924885203,0.8639658008361318,0.8332448084435611,0.6830173565896785
EOS-1-01132,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-n5ccc(-c6ccc(Cl)cc6)n5)cc4)n23)cc1F,NBCIKCKZZRTDMX-UHFFFAOYSA-N,1,1,0.738,83,485,528.95,6.197,6,0.247,0.73,1.0,0.9231546843944898,0.9473733808512097,0.9453687204441094,0.9491381673634433,0.941258738263313
EOS-1-01133,CN(Cc1ccc(F)cc1)c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1,GAWYIAPRQQJSLK-UHFFFAOYSA-N,1,1,0.704,79,397,471.511,5.327,5,0.306,0.86,1.0,0.8356949489411281,0.6231838119388664,0.9182629703241725,0.8637087930916318,0.8102126310739497
EOS-1-01134,O=S(=O)(Nc1cccc(Cl)c1)c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,FBIMXOMMDRMLAY-UHFFFAOYSA-N,1,1,0.7,79,824,505.987,4.867,5,0.323,0.89,1.0,0.7882084846823384,0.5516671235693236,0.6391611267219519,0.6815331368651909,0.6651424679597012
EOS-1-01135,CC(=O)Nc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,BJVDLILVEITGDS-UHFFFAOYSA-N,1,1,0.877,48,231,391.406,3.51,4,0.544,0.88,1.0,0.6780978000137071,0.01842745528065246,0.6064954423959975,0.4556233294496608,0.43966100678500447
EOS-1-01136,Fc1ccc(F)c(-c2ncccc2COc2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)c1,YTAYGTYPSZUXSY-UHFFFAOYSA-N,1,1,0.633,79,397,535.554,6.332,6,0.215,0.74,1.0,0.9421132890137757,0.9473819477760264,0.9192053320540059,0.8954321156877527,0.9260331711328902
EOS-1-01138,O=C(Nc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1)c1ccc(C(F)(F)F)cc1F,MYUSJQVUCWVRMT-UHFFFAOYSA-N,1,1,0.679,79,824,521.474,5.823,5,0.273,0.87,1.0,0.9245339592899733,0.6092197244876979,0.9828147488177644,0.9529247481324103,0.8673732951819615
EOS-1-01139,O=C(Nc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1)c1cccc(F)c1,XNAGROVRFNVIGB-UHFFFAOYSA-N,1,1,0.714,79,397,487.922,5.458,5,0.33,0.87,1.0,0.7909413336988554,0.5421235693235557,0.8710592145843328,0.8485453361661298,0.7631673634432184
EOS-1-01140,O=C(Nc1ccccc1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1,BTZSXOPZVZUHGX-UHFFFAOYSA-N,1,1,0.714,79,824,453.477,4.804,5,0.383,0.87,1.0,0.7768401754506202,0.33512953190322803,0.7623021040367349,0.6785175793297238,0.6381973476800766
EOS-1-01141,CC(=O)Nc1ccc(CCOc2cncc3nnc(-c4cccc(Cl)c4)n23)cc1,FNNJIOITYNYJTC-UHFFFAOYSA-N,1,1,0.773,48,576,407.861,4.025,4,0.522,0.91,1.0,0.5704629566170927,0.16893119045987254,0.5871855938592283,0.4955537660201494,0.4555333767390857
EOS-1-01142,O=C(Nc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1)c1cccc(Cl)c1,VOPRIECYEHWEDO-UHFFFAOYSA-N,1,1,0.768,79,485,505.912,5.597,5,0.311,0.85,1.0,0.8101312452881914,0.5059111781235008,0.9307878144061408,0.9142536495099719,0.7902709718319513
EOS-1-01143,CS(=O)(=O)Nc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,RVUMIOXMFLMQHW-UHFFFAOYSA-N,1,1,0.865,48,948,478.361,4.091,4,0.43,0.87,1.0,0.5051144541155507,0.30587348365430744,0.6268076211363169,0.6410629840312522,0.5197146357343568
EOS-1-01144,O=S(=O)(Nc1cccc(F)c1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,UUBWPABQDJZZBJ-UHFFFAOYSA-N,1,1,0.756,79,397,525.512,4.631,5,0.317,0.85,1.0,0.6810790898499075,0.4785227194846138,0.8775957782194503,0.8758652594064834,0.7282657117401138
EOS-1-01145,Cc1cc(C)cc(S(=O)(=O)c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)c1,QVJCYMPPZUKPER-UHFFFAOYSA-N,1,1,0.6,91,230,503.559,4.397,5,0.304,0.66,1.0,0.8178757453224591,0.8223562470015763,0.707550887533411,0.6754420533205401,0.7558062332944966
EOS-1-01146,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C#CC(F)c5ccc(-c6ccccc6)cc5)cc4)n23)cc1F,UPNHVRVYEDXZML-UHFFFAOYSA-N,1,1,0.738,21,47,560.579,7.42,6,0.191,0.6,0.999,0.9856675347817148,0.9904650126790487,0.9921441299431156,0.9918357206497156,0.9900280995133987
EOS-1-01147,O=C(Cc1ccc(F)cc1)Nc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1F,LNPKJVYLBCQWIL-UHFFFAOYSA-N,1,1,0.674,79,397,519.939,5.526,5,0.292,0.84,1.0,0.8233328764306764,0.5101004043588514,0.9037677335343705,0.8981478308546365,0.7838372112946337
EOS-1-01148,Clc1ccc(CCOc2cncc3nnc(-c4cccc(COc5cc(Cl)cc(Cl)c5)c4)n23)cc1,XZKQDTMNEPBCAQ-UHFFFAOYSA-N,1,1,0.711,79,397,525.823,6.952,5,0.219,0.75,1.0,0.9192138989788226,0.9484271126036597,0.970598314029196,0.979782057432664,0.9545053457610857
EOS-1-01150,CCOc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nc1,ZOTCKMAWXJQNAB-UHFFFAOYSA-N,1,1,0.671,79,824,437.503,4.874,5,0.345,0.84,1.0,0.6385528750599685,0.44776745939277635,0.6421938181070523,0.5487543691316565,0.5693171304228635
EOS-1-01151,c1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnc(Cc6ccccc6)o5)cc4)n23)cc1,KDGOARDLIRMPFT-UHFFFAOYSA-N,1,1,0.689,17,897,474.524,5.054,6,0.305,0.74,1.0,0.7235881707902131,0.6092282914125146,0.47560996504694675,0.4682681104790624,0.5691736344321842
EOS-1-01152,O=C(Oc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1)c1ccccc1,MNACWKNSGKBGNJ-UHFFFAOYSA-N,1,1,0.75,79,824,436.471,4.632,5,0.273,0.81,1.0,0.7111918305804948,0.434625796724008,0.6594133369885546,0.5618960318004249,0.5917817490233706
EOS-1-01153,NC(=O)c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)cc1,JBCMZFXQLMGNOP-UHFFFAOYSA-N,1,1,0.914,79,497,471.467,4.457,5,0.378,0.79,1.0,0.6355030498252348,0.14574909190596944,0.9026368994585704,0.8621324789253649,0.6365053800287849
EOS-1-01154,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5OCc5ccccc5)cc4)n23)cc1,ZSNQSXXADYUOTM-UHFFFAOYSA-N,1,1,0.7,17,403,533.031,7.312,6,0.195,0.72,1.0,0.9555462271263108,0.9637019395517785,0.9339233088890412,0.9270526351860736,0.945056027688301
EOS-1-01155,O=S(=O)(c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1)N1CCOCC1,SMOOHLDLNBTSDH-UHFFFAOYSA-N,1,1,0.779,0,378,499.98,3.087,5,0.385,0.87,1.0,0.44185628126927556,0.3926478651223357,0.0337451168528545,0.2228599821807964,0.27277731135631555
EOS-1-01156,CC1CC(F)(c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)CC(C)(C)S1,PDPNYRLGLJJTJI-UHFFFAOYSA-N,1,1,0.716,0,378,512.601,6.55,5,0.293,0.41,1.0,0.9421218559385923,0.9412822973065589,0.9678825988623124,0.9549037077650606,0.9515476149681311
EOS-1-01157,O=C(Nc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1)c1ccccc1,JMXZTQAPJGMAIZ-UHFFFAOYSA-N,1,1,0.778,79,824,471.467,4.943,5,0.364,0.85,1.0,0.6990524981152766,0.10167226372421356,0.8683863340415324,0.8021554382838736,0.6178166335412241
EOS-1-01158,Clc1ccc(CCOc2cncc3nnc(-c4cccc(OC(c5ccccc5)c5ccccc5)c4)n23)cc1,HTAKXYOYLAPSFY-UHFFFAOYSA-N,1,1,0.705,17,403,533.031,7.235,6,0.196,0.76,0.999,0.95017476526626,0.9484356795284764,0.9616458775957782,0.9616715783702282,0.9554819751901856
EOS-1-01159,CCC(=O)N(c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1)C(C)C,UYMPPRNRCRMHGS-UHFFFAOYSA-N,1,1,0.692,48,378,463.969,5.218,4,0.358,0.8,1.0,0.5590004112123912,0.46089198821191146,0.4477845932424097,0.3250291275443767,0.44817653005277225
EOS-1-01160,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1N1CCNCC1,NJIZMUCVQFUPOZ-UHFFFAOYSA-N,1,1,0.688,48,576,418.476,2.962,5,0.519,0.87,1.0,0.47274004523336305,0.10168083064903022,0.08792234939346172,0.19409224864642588,0.2141088684805702
EOS-1-01162,c1ccc(CCOc2cncc3nnc(-c4ccc(N5CCOCC5)cc4)n23)cc1,NRPKHFQWBOIZLY-UHFFFAOYSA-N,1,1,0.805,48,576,401.47,3.249,5,0.494,0.88,1.0,0.405275512302104,0.0010280309780001371,0.0805547940511274,0.13872421355630182,0.15639563772188336
EOS-1-01163,O=S(=O)(Nc1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1)c1ccccc1,BHZODMCVPGQZLV-UHFFFAOYSA-N,1,1,0.699,79,824,471.542,4.214,5,0.364,0.82,1.0,0.44414365019532587,0.1420310465355356,0.4585360838873278,0.43964601466657527,0.3710891988211911
EOS-1-01164,O=S(=O)(c1cccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1)N1CCc2ccccc21,RBEXIZVQBBXUPX-UHFFFAOYSA-N,1,1,0.678,79,397,533.56,4.442,6,0.307,0.72,1.0,0.45822767459392777,0.29587588239325613,0.4793451442670139,0.6232951819614831,0.46418597080392027
EOS-1-01165,COCCS(=O)(=O)Nc1cccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c1,ZLNIFJMYOMACLF-UHFFFAOYSA-N,1,1,0.782,48,378,505.959,3.593,4,0.351,0.75,1.0,0.31007127681447466,0.10486772668083065,0.3405266945377287,0.4211500239873895,0.2941539305051059
EOS-1-01166,O=C(Nc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1)c1cn(-c2ccc(F)cc2)nn1,FCZMHNWDCMWWLD-UHFFFAOYSA-N,1,1,0.618,79,397,538.518,4.524,6,0.303,0.78,1.0,0.4212870947844562,0.19036563635117537,0.629771777122884,0.602177712288397,0.4609005551367281
EOS-1-01167,Cc1nc2ccc(-c3ccc(F)cc3)nc2n2c(-c3ccc(OC(F)F)c(C#N)c3)nnc12,CIKIEKBYJQTCSU-UHFFFAOYSA-N,1,0,0.327,1,574,446.392,4.927,5,0.389,0.74,0.999,0.3968713590569529,0.5421321362483723,0.9212099924611061,0.9291086971420739,0.6973305462271263
EOS-1-01168,COc1ccccc1NC(=O)COc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)cc1,BPKOKNZIIPFCPK-UHFFFAOYSA-N,1,1,0.647,17,403,571.637,6.106,6,0.2,0.78,1.0,0.5333082036872044,0.07227057775340964,0.7100352957302447,0.5356898087862381,0.4628259714892742
EOS-2-00000,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)cs1,NUOUXMHAGWIAPT-UHFFFAOYSA-N,2,1,0.523,75,583,449.927,4.288,5,0.382,0.74,1.0,0.7507453224590501,0.6960797752038929,0.35941676375848125,0.37362929202933315,0.5449677883626893
EOS-2-00001,OCc1cc(-c2nnc3cncc(OCc4csnc4-c4ccccc4)n23)ccc1Cl,OHZCNOYPWTYOPK-UHFFFAOYSA-N,2,1,0.512,1,709,449.923,4.64,5,0.406,0.71,0.999,0.7825543143033377,0.7734905078473031,0.7360359125488315,0.767433692001919,0.7648786066753478
EOS-2-00002,Cc1nsc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)n1,NANYYEKSSIDZJL-UHFFFAOYSA-N,2,1,0.575,15,626,449.927,4.288,5,0.357,0.61,1.0,0.7825628812281543,0.8261256939209102,0.34427900760742924,0.36053046398464805,0.5783745116852854
EOS-2-00003,COc1cc(-c2nnc3cncc(OCc4csc(-c5cccnc5)c4)n23)ccc1Cl,LCXCEZFOVWQYMR-UHFFFAOYSA-N,2,1,0.5,97,67,449.923,5.156,5,0.356,0.71,1.0,0.8928877390172024,0.8472431635939963,0.8105253238297581,0.7519960934822836,0.82566307998081
EOS-2-00004,Clc1ccc(COc2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2)cc1,SPOXCNATKZDYDN-UHFFFAOYSA-N,2,1,0.74,1,397,449.923,5.059,5,0.346,0.82,1.0,0.8875162771571516,0.8403039544924954,0.7854927695154548,0.7795901583167706,0.8232257898704681
EOS-2-00005,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)s1,CWEMUTKISOJPIV-UHFFFAOYSA-N,2,1,0.439,18,840,449.927,4.288,5,0.382,0.69,1.0,0.6016122952504969,0.5803149201562607,0.3707679391405661,0.3829929408539511,0.4839220238503187
EOS-2-00006,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)s1,MEOGXERPUYWTMP-UHFFFAOYSA-N,2,1,0.435,18,840,449.927,4.288,5,0.357,0.73,1.0,0.5617075594544583,0.5803234870810774,0.37464875608251663,0.3702110890274827,0.47172272291138373
EOS-2-00007,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnsc5C)cc4Cl)n23)cn1,DGMANGMAOUNVGG-UHFFFAOYSA-N,2,1,0.512,4,250,449.927,4.554,5,0.388,0.76,1.0,0.5126019464053183,0.5903896237406621,0.4405626756219587,0.4492581043108766,0.49820308751970394
EOS-2-00008,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,QKSXAANGGMGQGA-UHFFFAOYSA-N,2,1,0.473,87,858,449.927,4.288,5,0.382,0.63,0.998,0.7235967377150299,0.7385545884449318,0.38217051607155095,0.38964944143650193,0.5584928209170037
EOS-2-00009,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)n1,FQAKRQIWLRSTGV-UHFFFAOYSA-N,2,1,0.462,87,858,449.927,4.288,5,0.382,0.59,1.0,0.7446799396888493,0.7244619971215133,0.37077650606538276,0.38965800836131864,0.557394112809266
EOS-2-00010,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)ns1,BZWAVEYHEIHGSA-UHFFFAOYSA-N,2,1,0.571,15,921,449.927,4.288,5,0.382,0.71,1.0,0.6385614419847851,0.6862620793639915,0.29674114179973954,0.3444160784044959,0.49149518538825304
EOS-2-00011,Cc1nsc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)n1,XEFOGXIVMCOFOM-UHFFFAOYSA-N,2,1,0.522,15,490,449.927,4.288,5,0.382,0.68,1.0,0.6296604071002673,0.6913079980810088,0.26012610513330137,0.309908505242958,0.47275075388938387
EOS-2-00012,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1nccs1,KXVZMQFXMRJBMN-UHFFFAOYSA-N,2,1,0.483,46,267,449.927,4.5,5,0.377,0.69,0.519,0.4778630662737304,0.5701031457747927,0.19960934822835993,0.24064491810019875,0.37205511959427046
EOS-2-00013,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)s1,GHWJZPLCUDIYGE-UHFFFAOYSA-N,2,1,0.489,15,132,449.927,4.288,5,0.382,0.7,1.0,0.6533650880679871,0.7061716126379275,0.28591254883147144,0.31284696045507504,0.48957405249811525
EOS-2-00014,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cs1,YMFWFMXYOLQGJK-UHFFFAOYSA-N,2,1,0.5,87,307,449.927,4.288,5,0.382,0.62,1.0,0.6213333561784662,0.652414159413337,0.3594253306832979,0.38300150777876774,0.5040435885134672
EOS-2-00015,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cs1,IZYYEQZDEKUSFW-UHFFFAOYSA-N,2,1,0.495,87,307,449.927,4.288,5,0.382,0.67,1.0,0.6073778356521143,0.6569974641902543,0.3558186553354808,0.3671441299431156,0.4968345212802412
EOS-2-00016,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cs1,SZJZWBWGRKMCMS-UHFFFAOYSA-N,2,1,0.457,87,173,449.927,4.288,5,0.357,0.68,1.0,0.5538602563223906,0.6231923788636831,0.32232197930230966,0.33799088479199507,0.4593413748200946
EOS-2-00017,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cccnc1,PVUTUPDZPURTIT-UHFFFAOYSA-N,2,1,0.552,11,922,449.923,4.895,5,0.397,0.64,1.0,0.8928963059420191,0.8627749982866151,0.6891834007264752,0.7038414090877938,0.7871740285107258
EOS-2-00018,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)cs1,PLPSIRYLJLALBU-UHFFFAOYSA-N,2,1,0.552,75,583,449.927,4.288,5,0.382,0.74,1.0,0.7082533753683777,0.7061801795627441,0.30411726406689055,0.31887807552600916,0.5093572236310053
EOS-2-00019,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cs1,YWGCEAVIIHPMMT-UHFFFAOYSA-N,2,1,0.511,58,819,449.927,4.288,5,0.357,0.79,1.0,0.6719124802960729,0.6862706462888082,0.27488691659242,0.29400829278322255,0.4817695839901309
EOS-2-00020,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)s1,MRAQHJQSNCAZTC-UHFFFAOYSA-N,2,1,0.533,87,307,449.927,4.288,5,0.382,0.64,1.0,0.6719210472208896,0.8333818792406278,0.30752690014392436,0.3220135700089096,0.5337108491535878
EOS-2-00021,Cc1cc(C)nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)n1,ALWHRZBNPGHXRQ-UHFFFAOYSA-N,2,1,0.477,4,464,449.927,4.554,5,0.388,0.74,1.0,0.5730758686861764,0.7339370159687478,0.2930659310533891,0.27929031594818726,0.4698422829141251
EOS-2-00022,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)s1,CLGAAJXKMYUGTD-UHFFFAOYSA-N,2,1,0.516,75,278,449.927,4.288,5,0.357,0.74,1.0,0.6016208621753135,0.7013141662668768,0.28592111575628815,0.30334624083339046,0.47305059625796725
EOS-2-00023,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)s1,QOAJZHBFDDMCAQ-UHFFFAOYSA-N,2,1,0.534,75,496,449.927,4.288,5,0.382,0.74,1.0,0.6688283873620725,0.7061887464875608,0.3187581385785758,0.3444246453293126,0.5095499794393804
EOS-2-00024,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)s1,RPFOICCXIPLSEE-UHFFFAOYSA-N,2,1,0.545,75,496,449.927,4.288,5,0.382,0.71,1.0,0.67503084092934,0.7244705640463299,0.315040093208142,0.3316770612021109,0.5115546398464806
EOS-2-00025,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5c(C)cncc5Cl)n34)c2)ns1,PVSSLISMMTUCJX-UHFFFAOYSA-N,2,1,0.518,16,921,449.927,4.554,5,0.388,0.67,1.0,0.492546775409499,0.5329912274689877,0.3405352614625454,0.36053903090946476,0.43165307381262424
EOS-2-00026,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)s1,KTDDNFANLQHOGB-UHFFFAOYSA-N,2,1,0.654,84,73,449.927,4.288,5,0.382,0.73,1.0,0.6296689740250839,0.7154238914399287,0.3442875745322459,0.40804262901788774,0.5243557672537865
EOS-2-00027,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cs1,YZUYTJLYLCUKKM-UHFFFAOYSA-N,2,1,0.5,87,76,449.927,4.288,5,0.357,0.68,1.0,0.607386402576931,0.6716212048523063,0.4144935234048386,0.4080511959427044,0.525388081694195
EOS-2-00028,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)cn1,LWARJYXMXUADEN-UHFFFAOYSA-N,2,1,0.442,44,238,449.927,4.288,5,0.382,0.64,0.999,0.6929100130217257,0.6524227263381537,0.36686142142416556,0.3736378589541498,0.5214580049345487
EOS-2-00029,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)c2)cs1,JSZWMBOYCAEVLR-UHFFFAOYSA-N,2,1,0.5,87,858,449.927,4.288,5,0.382,0.65,1.0,0.5960523610444795,0.6667723254060722,0.4331351518059077,0.44926667123569325,0.5363066273730381
EOS-2-00030,Cc1scnc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,JOOCVMGSKNDKAI-UHFFFAOYSA-N,2,1,0.494,65,858,449.927,4.288,5,0.382,0.66,1.0,0.6241690082927832,0.6813360975944075,0.3821790829963676,0.40455589061750397,0.5230600198752655
EOS-2-00031,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cs1,AOHALLWCFOQLBE-UHFFFAOYSA-N,2,1,0.516,87,76,449.927,4.288,5,0.382,0.67,1.0,0.6385700089096018,0.6862792132136248,0.4108697142073881,0.4240199438009732,0.539934720032897
EOS-2-00032,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)c(C)n1,AHBOAXBSEHEWLC-UHFFFAOYSA-N,2,1,0.456,7,567,449.927,4.554,5,0.388,0.72,1.0,0.5872112946336783,0.7244791309711466,0.3594338976081146,0.32819888972654376,0.4998308032348708
EOS-2-00033,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)s1,WTPRMNXGMRSHBX-UHFFFAOYSA-N,2,1,0.517,75,496,449.927,4.288,5,0.382,0.69,1.0,0.7206582825029128,0.7199900623672126,0.3707850729901994,0.3860170653142348,0.5493626207936398
EOS-2-00034,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)s1,VYOWAAPCWWLZKP-UHFFFAOYSA-N,2,1,0.536,75,496,449.927,4.288,5,0.357,0.68,1.0,0.6870502364471249,0.7244876978959632,0.3746573230073333,0.3702196559522994,0.5391037283256802
EOS-2-00035,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cs1,JRGBZLGHPGBZEZ-UHFFFAOYSA-N,2,1,0.542,75,583,449.927,4.288,5,0.357,0.76,1.0,0.7593465149749846,0.7199986292920293,0.36330614762524843,0.3605475978342814,0.5507997224316359
EOS-2-00036,COc1cc(-c2nnc3cncc(OCc4csnc4-c4ccccc4)n23)ccc1Cl,XZDFQIMSTHQVOL-UHFFFAOYSA-N,2,1,0.512,1,709,449.923,5.156,5,0.356,0.73,1.0,0.8428740319374958,0.8333904461654444,0.6865105201836749,0.6754506202453567,0.759556404632993
EOS-2-00037,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ccn2)n1,PRJSMAPGIKOHLX-UHFFFAOYSA-N,2,1,0.512,75,530,449.927,4.288,5,0.382,0.57,1.0,0.6533736549928038,0.6619834144335549,0.3707936399150161,0.38602563223905145,0.5180440853951065
EOS-2-00038,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cccnc1,ZUTJANVSEVVBAH-UHFFFAOYSA-N,2,1,0.548,97,83,449.923,5.156,5,0.356,0.72,1.0,0.7710575011993694,0.7943766705503392,0.7694554862586526,0.7177455280652457,0.7631587965184017
EOS-2-00039,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)s1,RWFBMDQRUKTHSU-UHFFFAOYSA-N,2,1,0.563,72,628,449.927,4.288,5,0.382,0.65,1.0,0.7082619422931944,0.7564594613117676,0.31116784319100815,0.3571208279076143,0.5332525186758961
EOS-2-00040,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)s1,GTGWPCNFIPDPDG-UHFFFAOYSA-N,2,1,0.573,72,628,449.927,4.288,5,0.357,0.68,1.0,0.7266379960249468,0.7905815228565554,0.3150486601329587,0.34443321225412926,0.5441753478171475
EOS-2-00041,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)ccc1Cl,ZRUFDXOSIOYYSX-UHFFFAOYSA-N,2,1,0.58,1,951,449.923,5.156,5,0.356,0.79,1.0,0.9231632513193064,0.914998971969022,0.8325680213830443,0.7795987252415872,0.86258224247824
EOS-2-00042,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccccn1,BRIGFMGVCHUMKY-UHFFFAOYSA-N,2,1,0.547,1,61,449.923,5.156,5,0.356,0.72,1.0,0.782571448152971,0.7820488657391542,0.7126653416489617,0.6524055924885204,0.7324228120074019
EOS-2-00043,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)ccc1Cl,WBBXTRDMZXTWHG-UHFFFAOYSA-N,2,1,0.6,97,67,449.923,5.156,5,0.356,0.73,1.0,0.7564765951614009,0.8223648139263929,0.8042115002398739,0.7520046604071002,0.7837643924336919
EOS-2-00044,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)s1,SKRGFZPLMDKNRO-UHFFFAOYSA-N,2,1,0.549,87,578,449.927,4.288,5,0.357,0.63,1.0,0.7297991912822973,0.8564954423959975,0.37860667534781717,0.3768161880611336,0.5854293742718114
EOS-2-00045,CCc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)s1,QUCCOCFDNLZRPZ-UHFFFAOYSA-N,2,1,0.478,55,879,449.927,4.5,5,0.377,0.68,1.0,0.47787163319854703,0.6232009457884997,0.3041258309917072,0.33168562812692753,0.4342210095264204
EOS-2-00046,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)nn1,KHDMOMCOTVSZMM-UHFFFAOYSA-N,2,1,0.542,15,438,449.927,4.288,5,0.382,0.62,1.0,0.729807758207114,0.7691984785141526,0.37466588993214994,0.41145226509492155,0.5712810979370846
EOS-2-00047,Cc1ncc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)n2)s1,MAJLBEOASARLRU-UHFFFAOYSA-N,2,1,0.517,4,677,449.927,4.554,5,0.388,0.71,1.0,0.5675330683297923,0.7604088136522514,0.3259714892742101,0.3379994517168117,0.4979782057432664
EOS-2-00048,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccncc1,YWUXTWFKJQMZAZ-UHFFFAOYSA-N,2,1,0.524,97,83,449.923,5.156,5,0.356,0.69,1.0,0.7236053046398465,0.7604173805770681,0.7833167706120211,0.7281714755671305,0.7488777328490166
EOS-2-00049,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cs1,QJDFAHWZEOOEEG-UHFFFAOYSA-N,2,1,0.556,58,578,449.927,4.288,5,0.357,0.75,1.0,0.7355904324583648,0.8597080392022479,0.36686998834898227,0.3638886985127818,0.5815142896305943
EOS-2-00050,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)cn1,QBTBBUDNZPJSJS-UHFFFAOYSA-N,2,1,0.419,18,720,449.927,4.288,5,0.382,0.57,0.999,0.5617161263792749,0.5855664450688781,0.3746744568569666,0.3800116510177507,0.47549216983071757
EOS-2-00051,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ncn2)cn1,GPVDJVXKYVLYTO-UHFFFAOYSA-N,2,1,0.439,18,194,449.927,4.288,5,0.382,0.49,0.999,0.6016294291001302,0.6043879788910973,0.41087828113220476,0.4145963265026386,0.5078730039065177
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EOS-2-00053,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)c2)s1,JAOPJIQNVGMDBI-UHFFFAOYSA-N,2,1,0.488,15,655,449.927,4.288,5,0.357,0.69,1.0,0.6296775409499006,0.720007196216846,0.2422040984168323,0.2730450277568364,0.46623346583510383
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EOS-2-00055,CCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)s1,XURPSDNWVBVDCP-UHFFFAOYSA-N,2,1,0.456,75,43,449.927,4.5,5,0.352,0.69,1.0,0.42129566170927285,0.5377201699677884,0.3259800561990268,0.3380080186416284,0.4057509766294291
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EOS-2-00057,COc1cc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)ccc1Cl,MPPMNEZEVCZZJK-UHFFFAOYSA-N,2,1,0.535,1,347,449.923,5.156,5,0.356,0.82,1.0,0.7909499006236721,0.847251730518813,0.6327445000342677,0.6084829689534644,0.7198572750325543
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EOS-2-00059,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)s1,HURAQWWHTBPLRR-UHFFFAOYSA-N,2,1,0.536,75,496,449.927,4.288,5,0.357,0.68,1.0,0.7051521485847441,0.7290881365225139,0.38952093756425193,0.38603419916386816,0.5524488554588445
EOS-2-00060,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cnncc5Cl)n34)c2)cs1,UMVURDNVTBXJFW-UHFFFAOYSA-N,2,1,0.528,15,684,449.927,4.288,5,0.382,0.72,1.0,0.692927146871359,0.7519875265574669,0.40420464670002054,0.4304365704886574,0.569888972654376
EOS-2-00061,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cs1,KOCCFUPHTOTSPK-UHFFFAOYSA-N,2,1,0.477,72,482,449.927,4.288,5,0.382,0.81,1.0,0.6594904393119047,0.7244962648207799,0.2706805565074361,0.30336337468302377,0.4895076588307861
EOS-2-00062,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)ns1,HPTHLMNHMBLCBH-UHFFFAOYSA-N,2,1,0.552,15,921,449.927,4.288,5,0.382,0.67,1.0,0.6131091083544651,0.6913165650058255,0.24939174833801658,0.3067130422863409,0.465132615996162
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EOS-2-00064,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2Cl)s1,AIKWEZRXSGPDOQ-UHFFFAOYSA-N,2,1,0.612,72,393,449.927,4.288,5,0.382,0.78,1.0,0.7327547803440477,0.8928192036186691,0.34429614145706255,0.3955177849359194,0.5913469775889246
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EOS-2-00066,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)c2)s1,NVSUXVHXVOQAMX-UHFFFAOYSA-N,2,1,0.545,72,628,449.927,4.288,5,0.382,0.68,1.0,0.6899972585840587,0.7431721609211157,0.3369542868891783,0.3830100747035844,0.5382834452744842
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EOS-2-00069,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)s1,JPZPZEKHMVSHHG-UHFFFAOYSA-N,2,1,0.556,65,76,449.927,4.288,5,0.382,0.64,1.0,0.7206754163525461,0.840312521417312,0.3633147145500651,0.37682475498595025,0.5752818518264684
EOS-2-00070,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cn1,ULVUSOZGYUMYGG-UHFFFAOYSA-N,2,1,0.511,75,454,449.927,4.288,5,0.382,0.69,1.0,0.7994054554177232,0.7820659995887876,0.3821876499211843,0.37364642587896646,0.5843263827016654
EOS-2-00071,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)n1,CVCNYIHBJDZLCJ-UHFFFAOYSA-N,2,1,0.505,75,819,449.927,4.288,5,0.382,0.6,1.0,0.7298163251319306,0.7385631553697485,0.3259971900486601,0.3444503461037626,0.5347067541635254
EOS-2-00072,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cn1,OMRVHOIQIBKPMZ-UHFFFAOYSA-N,2,1,0.484,87,282,449.927,4.288,5,0.382,0.72,1.0,0.802429579878007,0.8597166061270646,0.3708022068398328,0.36389726543759854,0.5992114145706258
EOS-2-00073,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ccn2)c(C)n1,TZBMGUBPIYHRFT-UHFFFAOYSA-N,2,1,0.478,75,441,449.927,4.554,5,0.388,0.68,1.0,0.5872198615584949,0.6140686039339319,0.4183572064971558,0.37365499280378317,0.4983251661983414
EOS-2-00074,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cn1,PEVHBLUBIHAENZ-UHFFFAOYSA-N,2,1,0.506,87,579,449.927,4.288,5,0.382,0.75,1.0,0.7768487423754369,0.8535141525597971,0.3260057569734768,0.33475258721129464,0.5727803097800014
EOS-2-00075,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cs1,UVRWUYCZKADJOK-UHFFFAOYSA-N,2,1,0.544,58,56,449.927,4.288,5,0.357,0.76,1.0,0.6960369405798095,0.8437564251936125,0.35582722226029745,0.3507898704680968,0.561602614625454
EOS-2-00076,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)ns1,LMNSPSHKODSFLE-UHFFFAOYSA-N,2,1,0.575,15,921,449.927,4.288,5,0.357,0.71,1.0,0.65022102666027,0.7200157631416627,0.3111764101158248,0.3444589130285793,0.5064680282365842
EOS-2-00077,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cs1,DWZKFIVUXQQBPA-UHFFFAOYSA-N,2,1,0.511,87,76,449.927,4.288,5,0.357,0.66,1.0,0.6533822219176204,0.6960883421287095,0.4292800356384072,0.42115859091220614,0.5499772976492358
EOS-2-00078,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)s1,JPUUOLPSUOWPOI-UHFFFAOYSA-N,2,1,0.646,19,73,449.927,4.288,5,0.382,0.77,1.0,0.6781063669385238,0.8403210883421287,0.27068912343225277,0.35079843739291344,0.5349787540264547
EOS-2-00079,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)c(Cl)c4)n23)cs1,XBBRZWJGYKJIJH-UHFFFAOYSA-N,2,1,0.529,15,202,449.927,4.288,5,0.382,0.64,1.0,0.6990696319649099,0.7820745665136043,0.39697416215475295,0.44292714687135903,0.5802613768761565
EOS-2-00080,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)s1,GTWJAQGZYBWEQC-UHFFFAOYSA-N,2,1,0.731,19,241,449.927,4.288,5,0.382,0.72,1.0,0.6296861078747172,0.7013227331916935,0.2749040504420533,0.3571379617572476,0.4907627133164279
EOS-2-00081,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cs1,DJXBJARQNMZQTR-UHFFFAOYSA-N,2,1,0.562,58,981,449.927,4.288,5,0.382,0.75,1.0,0.7477897333972997,0.8261342608457268,0.34834829689534647,0.3671526968679323,0.5723562470015763
EOS-2-00082,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)n1,DUXWWYZDEVOTFW-UHFFFAOYSA-N,2,1,0.479,87,579,449.927,4.288,5,0.382,0.57,1.0,0.7854499348913714,0.8403296552669454,0.3187667055033925,0.3380165855664451,0.5706407203070386
EOS-2-00083,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)ccn2)s1,AEFSTGDQCHCDDN-UHFFFAOYSA-N,2,1,0.627,19,241,449.927,4.288,5,0.382,0.71,1.0,0.6781149338633404,0.6960969090535262,0.2785535604139538,0.3571465286820643,0.5024779830032211
EOS-2-00084,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)n1,RLBHAMILZZPXAX-UHFFFAOYSA-N,2,1,0.517,15,561,449.927,4.288,5,0.382,0.66,1.0,0.7938626550613391,0.8333990130902611,0.3002964155986567,0.33802515249126175,0.5663958090603797
EOS-2-00085,Cc1cncc(-c2cccc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)c2)n1,NFEHVMBKCVGPPU-UHFFFAOYSA-N,2,1,0.484,15,846,449.927,4.288,5,0.382,0.65,1.0,0.6442927146871359,0.6913251319306422,0.2530840929340004,0.3033719416078404,0.47301847028990474
EOS-2-00086,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)cs1,JSFNJSPWMJXRSL-UHFFFAOYSA-N,2,1,0.484,15,684,449.927,4.288,5,0.382,0.74,1.0,0.6016379960249468,0.6862877801384415,0.2315040093208142,0.2730535946816531,0.4481208450414639
EOS-2-00087,Cc1nc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cs1,RKDCHJMWXXEFIF-UHFFFAOYSA-N,2,1,0.435,18,578,449.927,4.288,5,0.357,0.75,1.0,0.5590089781372078,0.5562247275717909,0.3746830237817833,0.3736635597285998,0.46589507230484545
EOS-2-00088,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cs1,RYRUMDQJCNNDHI-UHFFFAOYSA-N,2,1,0.471,15,684,449.927,4.288,5,0.382,0.81,1.0,0.6073949695017477,0.6862963470632581,0.27856212733877045,0.30338050853265713,0.4689084881091083
EOS-2-00089,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)nc1,QIICXGCQQKREDZ-UHFFFAOYSA-N,2,1,0.333,30,668,449.905,5.359,6,0.362,0.8,0.997,0.004326297032417243,0.14203961346035227,0.759903365088068,0.8411606469741622,0.4368574806387499
EOS-2-00090,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)c1,BVFWHAMZGCKFGC-UHFFFAOYSA-N,2,1,0.294,30,668,449.905,5.359,6,0.362,0.76,0.997,0.0018761565348502502,0.12440888218764992,0.7623106709615517,0.8467719827290796,0.43384192310328284
EOS-2-00091,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1,MNSNJPHMVDRFHY-UHFFFAOYSA-N,2,1,0.373,93,991,449.905,5.359,6,0.362,0.74,1.0,0.05491398807484066,0.3109879377698581,0.7230912891508464,0.8311630457131108,0.480039065177164
EOS-2-00092,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)nn1C,VNIUHJUGSNARRG-UHFFFAOYSA-N,2,1,0.412,31,477,449.906,3.078,5,0.376,0.57,0.979,0.27002090329655265,0.18613357549174148,0.11589335891988212,0.13640257693098484,0.17711260365979026
EOS-2-00093,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nn1C,JTWJYNPHWYSPKB-UHFFFAOYSA-N,2,1,0.385,31,569,449.906,3.078,5,0.352,0.6,1.0,0.2488006305256665,0.1734373929134398,0.09717462819546295,0.11195257350421493,0.15784130628469606
EOS-2-00094,Clc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cn1,MGNSKXJEHYXFGC-UHFFFAOYSA-N,2,1,0.31,30,737,449.905,5.359,6,0.362,0.76,0.999,0.009526420396134603,0.1457576588307861,0.7460849153587829,0.8371598930847783,0.43463222191762046
EOS-2-00095,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)c1,QSRSEIQSADZHIZ-UHFFFAOYSA-N,2,1,0.326,69,668,449.905,5.359,6,0.362,0.72,1.0,0.02029504489068604,0.18614214241655816,0.7958244808443561,0.8503101226783634,0.4631429477074909
EOS-2-00096,CCn1nc(C)nc1-c1cc(COc2cncc3nnc(-c4ccccc4Cl)n23)n(C)n1,ZPXKHZBNIOTDLB-UHFFFAOYSA-N,2,1,0.5,36,404,449.906,3.344,5,0.391,0.68,1.0,0.25394078541566717,0.43463436364882463,0.028913371256253855,0.05350901240490714,0.1927493831814132
EOS-2-00097,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)c1,UFEGUEDFEQPBAL-UHFFFAOYSA-N,2,1,0.314,30,668,449.905,5.359,6,0.362,0.77,0.998,0.01016037283256802,0.1689397573846892,0.767202385031869,0.8411692138989788,0.44686793228702626
EOS-2-00098,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)n1,LEYMRVMCEBINBE-UHFFFAOYSA-N,2,1,0.373,93,68,449.905,5.359,6,0.339,0.83,1.0,0.027945308751970394,0.18615070934137481,0.7486292920293331,0.8212425467754095,0.445991964224522
EOS-2-00099,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)cn1,IYHJAWUJTKVUHN-UHFFFAOYSA-N,2,1,0.441,31,569,449.906,3.078,5,0.352,0.7,1.0,0.23794633678294838,0.13469775889246796,0.16367109862243848,0.1639880748406552,0.1750758172846275
EOS-2-00100,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2C)c(C)n1,KAQDNEIUHVXPSS-UHFFFAOYSA-N,2,1,0.462,31,105,449.906,3.344,5,0.391,0.69,0.906,0.10598142690699747,0.1536049619628538,0.1022205469124803,0.10310294016859708,0.11622746898773217
EOS-2-00101,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)c1,NZZDPJTYDIYVEW-UHFFFAOYSA-N,2,1,0.337,3,668,449.905,5.359,6,0.362,0.77,1.0,0.02229113837296964,0.20399561373449387,0.8439448975395792,0.8843636488246179,0.48864882461791515
EOS-2-00102,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3Cl)n12,LMTLFBYMUIXPCP-UHFFFAOYSA-N,2,1,0.547,36,460,449.906,2.904,5,0.392,0.7,1.0,0.4305222397368241,0.542140703173189,0.13280446850798439,0.1387327804811185,0.311050047974779
EOS-2-00103,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1,DHBNDFFGUGKXMF-UHFFFAOYSA-N,2,1,0.373,93,689,449.905,5.359,6,0.362,0.76,1.0,0.04846309368788979,0.28013844150503736,0.7050921801110274,0.8212511137002262,0.46373620725104514
EOS-2-00104,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,ZZDQTWVHLNVAJH-UHFFFAOYSA-N,2,1,0.373,93,834,449.905,5.564,6,0.38,0.75,1.0,0.27002947022136936,0.4209786854910561,0.8488109108354465,0.8911657871290521,0.6077462134192311
EOS-2-00105,Clc1cccc(-n2nccc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,CRVGCPCWEFBMIM-UHFFFAOYSA-N,2,1,0.326,30,479,449.905,5.359,6,0.362,0.68,1.0,0.05003084092934,0.20884449318072784,0.7384774861215818,0.8172160921115756,0.45364222808580634
EOS-2-00106,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,BRAGZRVNRKJPIY-UHFFFAOYSA-N,2,1,0.355,93,689,449.905,5.359,6,0.362,0.77,1.0,0.04690391337125625,0.24955451990953328,0.6920875882393256,0.8172246590363923,0.45144267013912687
EOS-2-00107,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,ACIQJLLUKVWIAI-UHFFFAOYSA-N,2,1,0.36,93,689,449.905,5.359,6,0.362,0.74,1.0,0.053183469261873756,0.2544805016791173,0.6701733945582894,0.8064389006922075,0.446069066547872
EOS-2-00108,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)[nH]2)c1,BJQPEOMKUCLBQC-UHFFFAOYSA-N,2,1,0.39,93,107,449.905,5.564,6,0.38,0.8,1.0,0.1993523404838599,0.4165752861352889,0.7460934822835995,0.8603848262627647,0.5556014837913783
EOS-2-00109,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)cc1,YZEAWENOQQFKQP-UHFFFAOYSA-N,2,1,0.368,93,991,449.905,5.359,6,0.362,0.8,1.0,0.023421972448769788,0.24455143581659927,0.7694640531834692,0.8621410458501816,0.47489462682475503
EOS-2-00110,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c1,CIHHGYKGDOBNSZ-UHFFFAOYSA-N,2,1,0.351,93,991,449.905,5.359,6,0.362,0.79,1.0,0.033959289973271196,0.22410218627921322,0.7554828318826674,0.8588085120964979,0.46808820505791243
EOS-2-00111,CCn1nc(C)nc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n(C)n1,VXJSGSRXQKOFBD-UHFFFAOYSA-N,2,1,0.511,36,404,449.906,3.344,5,0.391,0.73,1.0,0.45602597491604413,0.6278613528887671,0.03638372969638819,0.06388355835789185,0.2960386539647728
EOS-2-00112,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,FJAFKUCFKAONAJ-UHFFFAOYSA-N,2,1,0.359,93,991,449.905,5.359,6,0.362,0.79,1.0,0.012482009457884998,0.21879925981769585,0.7532639983551505,0.8520920430402302,0.45915932766774037
EOS-2-00113,CCn1cc(-c2cc(-c3nnc4cncc(OCCn5cc(Cl)cn5)n34)ccn2)c(C)n1,BQLUQVBRHSSQNE-UHFFFAOYSA-N,2,1,0.43,92,329,449.906,3.307,5,0.375,0.7,1.0,0.41885408813652253,0.36417997395654855,0.09475018847234597,0.09682338427797958,0.24365190871084916
EOS-2-00114,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4nn(C)cc4Cl)n23)ccn1,NEYSDFUMFUXUES-UHFFFAOYSA-N,2,1,0.518,92,779,449.906,2.904,5,0.392,0.64,1.0,0.4213042286340895,0.40241415941333697,0.10742923720101433,0.10726646562949764,0.2596035227194846
EOS-2-00115,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4nn(C)cc4Cl)n23)c1,APSCAFHXNSQHJW-UHFFFAOYSA-N,2,1,0.37,31,211,449.906,3.078,5,0.376,0.69,1.0,0.2563909259132342,0.2338684805702145,0.11590192584469879,0.12568535398533343,0.18296167157837023
EOS-2-00116,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nn2C)c(C)n1,TVNBZGDQWVMXPQ-UHFFFAOYSA-N,2,1,0.441,92,569,449.906,3.344,5,0.391,0.67,0.904,0.1684600095949558,0.12789562058803372,0.1269446919333836,0.12979747789733398,0.13827445000342675
EOS-2-00117,Clc1ccc(-c2cn(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cn1,PIBOMZHRNOXMKM-UHFFFAOYSA-N,2,1,0.373,93,651,449.905,5.359,6,0.339,0.77,0.999,0.0584949626482078,0.20400418065931053,0.8004591871701734,0.852100609965047,0.4787647351106847
EOS-2-00118,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cn5)n34)cc2)cc1,GFNVNAZPXYUPIQ-UHFFFAOYSA-N,2,1,0.426,69,30,449.901,6.434,6,0.31,0.81,1.0,0.2997052977863066,0.4346429305736413,0.917397710917689,0.9421646905626756,0.6484776574600781
EOS-2-00119,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)cc1,YALZWMMLEWDELJ-UHFFFAOYSA-N,2,1,0.439,21,958,449.901,6.434,6,0.31,0.77,1.0,0.3584744020286478,0.5239531217874032,0.932252758549791,0.9498235213487767,0.6911259509286547
EOS-2-00120,Clc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)c1,HEHPOAAZWBEXKL-UHFFFAOYSA-N,2,1,0.4,69,479,449.901,6.434,6,0.31,0.84,1.0,0.24602494688506613,0.3498989102871633,0.9015660338564869,0.9302480981426907,0.6069344972928518
EOS-2-00121,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,VOOFAVXCWCFFNI-UHFFFAOYSA-N,2,1,0.4,21,958,449.901,6.434,6,0.31,0.75,1.0,0.3560242615310808,0.482514906449181,0.9283291069837571,0.9477074909190597,0.6786439414707697
EOS-2-00122,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)c1,VFWHSOJIIVLQFU-UHFFFAOYSA-N,2,1,0.417,21,958,449.901,6.434,6,0.31,0.78,1.0,0.3492049893770132,0.47396511548214654,0.9283376739085738,0.9477160578438764,0.6748059591529025
EOS-2-00123,Clc1cc(-c2ccoc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,ZJYDPFLTCXEBAW-UHFFFAOYSA-N,2,1,0.338,69,484,449.901,6.434,6,0.31,0.8,1.0,0.2888938386676719,0.3595109999314646,0.9134312247275718,0.934600095949558,0.6241090398190665
EOS-2-00124,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c(F)c1,SFLQULNGMAPHNA-UHFFFAOYSA-N,2,1,0.54,26,619,449.877,4.001,5,0.389,0.72,1.0,0.8893324652182852,0.8145089438695086,0.7486378589541498,0.7520132273319169,0.8011231238434651
EOS-2-00125,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(F)c1,YRRXVXNXVSIBBL-UHFFFAOYSA-N,2,1,0.5,26,589,449.877,4.001,5,0.389,0.68,1.0,0.810139812213008,0.7863237612226716,0.7025392365156603,0.7177540949900624,0.7541892262353506
EOS-2-00126,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)nc1,YYQHIVJHUFQKRR-UHFFFAOYSA-N,2,1,0.547,46,1,449.877,4.441,5,0.381,0.73,0.935,0.7051607155095607,0.5997190048660133,0.7623192378863684,0.7442601603728326,0.7028647796586937
EOS-2-00127,Cn1ccc(-c2ccncc2-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)n1,PSVJCSCOCXWDIM-UHFFFAOYSA-N,2,1,0.642,84,360,449.877,4.001,5,0.389,0.68,1.0,0.6594990062367213,0.604396545815914,0.7461020492084162,0.7417757521759989,0.6879433383592626
EOS-2-00128,Cn1ccc(-c2ccncc2-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)n1,KMOWOHJGRDIDLH-UHFFFAOYSA-N,2,1,0.59,84,749,449.877,4.001,5,0.389,0.64,0.998,0.5730844356109931,0.5610564731683915,0.694580563360976,0.7151326159961621,0.6359635220341306
EOS-2-00129,Cc1cncc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)n(C)n4)n23)c1,WTUVAYWUMFPQBU-UHFFFAOYSA-N,2,1,0.466,95,998,449.877,4.267,5,0.398,0.72,1.0,0.4165667192104722,0.43892639298197517,0.7207353848262628,0.7204526763073127,0.5741702933315057
EOS-2-00130,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1F,FEFYHUXBUICBQI-UHFFFAOYSA-N,2,1,0.552,26,619,449.877,4.001,5,0.389,0.69,1.0,0.8910801178808855,0.8183726269618258,0.7599119320128846,0.759851963539168,0.807304160098691
EOS-2-00131,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1,FYSRSBDSHZYDEN-UHFFFAOYSA-N,2,1,0.541,26,669,449.877,4.001,5,0.364,0.64,1.0,0.9217240079501062,0.8334075800150778,0.7510451648276335,0.7256185319717634,0.8079488211911452
EOS-2-00132,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1F,ICEUOIZZCMNEEB-UHFFFAOYSA-N,2,1,0.575,26,626,449.877,4.001,5,0.364,0.65,1.0,0.9106898087862381,0.829997943938044,0.7739102871633199,0.7598605304639846,0.8186146425878966
EOS-2-00133,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)n1,LYFFXPJSICVSQC-UHFFFAOYSA-N,2,1,0.552,84,73,449.877,4.001,5,0.389,0.64,1.0,0.5843585086697279,0.6278699198135838,0.7554913988074841,0.7469501747652663,0.6786675005140155
EOS-2-00134,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)n1,VKCPIPWCBBICOK-UHFFFAOYSA-N,2,1,0.541,84,749,449.877,4.001,5,0.389,0.64,1.0,0.629694674799534,0.6278784867384004,0.7207439517510794,0.7310927969296142,0.677352477554657
EOS-2-00135,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)nc1,BNBCCIDNBWJPEY-UHFFFAOYSA-N,2,1,0.417,46,1,449.877,4.441,5,0.381,0.65,0.939,0.6502295935850867,0.5562332944966075,0.7486464258789665,0.7338427797957645,0.6722380234391063
EOS-2-00136,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1Cl,SDMMDBBSEXXXQU-UHFFFAOYSA-N,2,1,0.552,26,619,449.877,4.001,5,0.389,0.68,1.0,0.8521862792132137,0.7943852374751559,0.7599204989377013,0.7623620725104516,0.7922135220341306
EOS-2-00137,Cc1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1-c1cncn1C,HTLNDJBZXUZJHV-UHFFFAOYSA-N,2,1,0.573,46,294,449.877,4.267,5,0.398,0.7,0.991,0.6929357137961757,0.6524312932629703,0.7437547118086492,0.717762661914879,0.7017210951956685
EOS-2-00138,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c(F)c1,AFMCUAOVBFOPLJ-UHFFFAOYSA-N,2,1,0.57,26,669,449.877,4.001,5,0.364,0.69,1.0,0.8610530463984648,0.8223733808512097,0.7510537317524502,0.7391542731820986,0.7934086080460558
EOS-2-00139,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)n1,CLVFQGMCFMDCDN-UHFFFAOYSA-N,2,1,0.663,84,360,449.877,4.001,5,0.389,0.68,1.0,0.7019052840792269,0.6813446645192242,0.7717856898087863,0.757170516071551,0.7280515386196971
EOS-2-00140,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)n1,DMZZLIFEVSIGNH-UHFFFAOYSA-N,2,1,0.523,84,672,449.877,4.001,5,0.389,0.63,1.0,0.6270217942567337,0.6667808923308889,0.7486549928037831,0.7520217942567337,0.6986198684120349
EOS-2-00141,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1F,OWIGGBPVDQWRMI-UHFFFAOYSA-N,2,1,0.581,26,669,449.877,4.001,5,0.364,0.68,1.0,0.8964001781920362,0.8300065108628607,0.762327804811185,0.7469587416900829,0.8089233088890413
EOS-2-00142,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1Cl,SOHMOOFLRXHNRB-UHFFFAOYSA-N,2,1,0.552,26,161,449.877,4.001,5,0.389,0.67,1.0,0.812795558906175,0.7863323281474882,0.7833253375368378,0.7746299088479199,0.7892707833596052
EOS-2-00143,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1F,NLBXSCWJNMSOQZ-UHFFFAOYSA-N,2,1,0.495,26,55,449.877,4.441,5,0.356,0.67,1.0,0.7593550818998013,0.7061973134123775,0.7833339044616544,0.7598690973888013,0.7521888492906585
EOS-2-00144,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nc1,HFVDUXMJWYRJGY-UHFFFAOYSA-N,2,1,0.602,84,308,449.877,4.001,5,0.389,0.82,1.0,0.847483037488863,0.7385717222945651,0.672863408950723,0.6724607634843397,0.7328447330546227
EOS-2-00145,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cn1,UWYZOBXRWDGZLR-UHFFFAOYSA-N,2,1,0.671,84,884,449.877,4.001,5,0.389,0.81,1.0,0.6658128298266054,0.6375248440819683,0.8216366253169762,0.8021640052086902,0.7317845761085601
EOS-2-00146,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)cn1,BTBHTQDCWWDWHJ-UHFFFAOYSA-N,2,1,0.671,84,884,449.877,4.001,5,0.389,0.8,1.0,0.6627030361181551,0.6326416969364677,0.8216451922417929,0.8042886025632239,0.7303196319649099
EOS-2-00147,Cc1cc(-c2nnc3cncc(OCc4c(-c5ccc(F)nc5)ncn4C)n23)ccc1Cl,GFPXTUMMFWYCJL-UHFFFAOYSA-N,2,1,0.478,16,55,449.877,4.267,5,0.373,0.7,1.0,0.5987937769858132,0.764829346857652,0.6837691042423412,0.6815417037900076,0.6822334829689536
EOS-2-00148,Cc1nc(-c2ccc(F)nc2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C,UTGCJBIYBIPFNL-UHFFFAOYSA-N,2,1,0.554,4,32,449.877,4.267,5,0.373,0.68,1.0,0.788217051607155,0.8597251730518813,0.5071533822219176,0.5619045987252416,0.6792500514015488
EOS-2-00149,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1cccc(Cl)c1,FEKSFCSOLLOHSC-UHFFFAOYSA-N,2,1,0.516,95,998,449.877,4.001,5,0.389,0.77,1.0,0.467659858817079,0.4739736824069632,0.6297803440477007,0.6957884997601261,0.5668005962579672
EOS-2-00150,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)n1,JYZGVTCHMIOYGC-UHFFFAOYSA-N,2,1,0.663,84,360,449.877,4.001,5,0.389,0.69,1.0,0.6990781988897266,0.6813532314440408,0.7717942567336029,0.7571790829963676,0.7273511925159346
EOS-2-00151,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1Cl,KKZXSCGMNPJZQB-UHFFFAOYSA-N,2,1,0.575,26,626,449.877,4.001,5,0.364,0.69,1.0,0.8818878075526009,0.8183811938866424,0.7763004591871702,0.7623706394352683,0.8097350250154205
EOS-2-00152,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)c1,ASDYJCZHVAWZAX-UHFFFAOYSA-N,2,1,0.563,26,626,449.877,4.001,5,0.364,0.68,1.0,0.8818963744774175,0.8261428277705435,0.7623363717360017,0.7495459529847166,0.8049803817421697
EOS-2-00153,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)ccn2)cn1,RYJIDRLDDWTSJV-UHFFFAOYSA-N,2,1,0.605,84,752,449.877,4.001,5,0.389,0.71,1.0,0.5076673977109177,0.5997275717908299,0.7554999657323007,0.7495545199095333,0.6531123637858953
EOS-2-00154,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)c2)n1,TVMYBFDOCUATQV-UHFFFAOYSA-N,2,1,0.489,15,639,449.877,4.001,5,0.364,0.67,1.0,0.6781235007881571,0.7200243300664794,0.6297889109725173,0.6261137002261669,0.6635126105133302
EOS-2-00155,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccn2)cn1,NHZSFRXBVYACSO-UHFFFAOYSA-N,2,1,0.625,84,749,449.877,4.001,5,0.389,0.74,1.0,0.5960609279692961,0.6232095127133165,0.7384860530463985,0.7417843191008155,0.6748852032074566
EOS-2-00156,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccn2)cn1,DYLQGVWPEBOBOG-UHFFFAOYSA-N,2,1,0.692,84,360,449.877,4.001,5,0.389,0.79,1.0,0.6929442807209923,0.6472911383729696,0.7873517922006716,0.764983551504352,0.7231426906997463
EOS-2-00157,Cn1cnc(-c2ccc(F)cc2)c1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,SNUJVEOXPJPUAE-UHFFFAOYSA-N,2,1,0.523,44,626,449.877,4.001,5,0.364,0.74,1.0,0.659507573161538,0.6278870536632171,0.564628880816942,0.6436844630251525,0.6239269926667124
EOS-2-00158,Cn1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)c2)c1,RHLVVMGKLPHHJP-UHFFFAOYSA-N,2,1,0.552,84,35,449.877,4.001,5,0.389,0.59,1.0,0.6627116030429717,0.7245048317455967,0.7647950791583853,0.7649921184291687,0.7292509080940305
EOS-2-00159,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1F,ZAJRZYCKXKJTNV-UHFFFAOYSA-N,2,1,0.57,26,125,449.877,4.001,5,0.364,0.64,1.0,0.8947981632513193,0.840338222191762,0.7763090261119868,0.7650006853539854,0.8191115242272633
EOS-2-00160,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)cn1,RVUQMGIINKSIEW-UHFFFAOYSA-N,2,1,0.602,37,669,449.877,4.001,5,0.364,0.73,1.0,0.7909584675484888,0.8106366938523748,0.7809951339867042,0.7623792063600849,0.7862423754369132
EOS-2-00161,Cn1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)c1,FLFJPPUCNYUINN-UHFFFAOYSA-N,2,1,0.655,84,360,449.877,4.001,5,0.389,0.64,1.0,0.8024381468028237,0.7385802892193818,0.7855013364402714,0.7699780686724693,0.7741244602837365
EOS-2-00162,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cc2)n1,USQQXEAARDKHLK-UHFFFAOYSA-N,2,1,0.628,91,803,449.877,4.001,5,0.389,0.69,1.0,0.8259029538756768,0.8535227194846138,0.6594219039133713,0.6785261462545404,0.7543434308820507
EOS-2-00163,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)cn1,BDPSAHVFMWXMES-UHFFFAOYSA-N,2,1,0.566,37,394,449.877,4.001,5,0.389,0.65,1.0,0.8128041258309917,0.8145175107943252,0.7833424713864711,0.7817233225961209,0.7980968576519772
EOS-2-00164,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2F)cn1,PVABBUYWZUUGRQ-UHFFFAOYSA-N,2,1,0.598,37,394,449.877,4.001,5,0.364,0.69,1.0,0.8284387636214104,0.8300150777876774,0.7855099033650881,0.7722911383729696,0.8040637207867863
EOS-2-00165,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cc1,KXRLXBGEFNGHKT-UHFFFAOYSA-N,2,1,0.528,15,563,449.877,4.001,5,0.364,0.64,1.0,0.9164210814885888,0.8535312864094304,0.6865190871084915,0.6724693304091564,0.7822351963539168
EOS-2-00166,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c1F,GEKGSJCLVNRBTR-UHFFFAOYSA-N,2,1,0.552,35,619,449.877,4.001,5,0.389,0.68,1.0,0.5730930025358097,0.5903981906654787,0.7100438626550614,0.7125197039270783,0.646513689945857
EOS-2-00167,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2F)n1,FSOJNBXMDKJICC-UHFFFAOYSA-N,2,1,0.73,91,70,449.877,4.001,5,0.389,0.71,1.0,0.8800202179425674,0.9168408608046056,0.6728719758755397,0.7012713316427935,0.7927510965663765
EOS-2-00168,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2F)n1,RCQBIQSZWHGZBQ-UHFFFAOYSA-N,2,1,0.727,91,70,449.877,4.001,5,0.389,0.78,1.0,0.8152199986292921,0.8739205674730999,0.659430470838188,0.6985042149270098,0.7617688129668975
EOS-2-00169,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc2F)n1,HNLWTSKRFBHRTQ-UHFFFAOYSA-N,2,1,0.696,91,70,449.877,4.001,5,0.389,0.73,1.0,0.8152285655541087,0.879566170927284,0.6594390377630046,0.6957970666849428,0.762507710232335
EOS-2-00170,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1Cl,PWFBVWPFVBKRLO-UHFFFAOYSA-N,2,1,0.533,26,589,449.877,4.001,5,0.389,0.63,0.999,0.807715372489891,0.782083133438421,0.7126739085737783,0.7281800424919471,0.7576631142485093
EOS-2-00171,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1F,FMRUFQMBAGHXET-UHFFFAOYSA-N,2,1,0.533,26,589,449.877,4.001,5,0.389,0.64,0.999,0.8521948461380303,0.7986601329586731,0.7151754506202453,0.7256270988965801,0.7729143821533823
EOS-2-00172,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1F,CQCSXMKFRCONJF-UHFFFAOYSA-N,2,1,0.511,26,639,449.877,4.001,5,0.364,0.71,1.0,0.8720358440134329,0.8030035638407237,0.6812247275717909,0.687281543417175,0.7608864197107805
EOS-2-00173,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1F,NLKAJOHJGJJOTH-UHFFFAOYSA-N,2,1,0.545,26,563,449.877,4.001,5,0.389,0.63,1.0,0.8720444109382496,0.8069357823315743,0.710052429579878,0.7151411829209787,0.7760434514426702
EOS-2-00174,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)n1,UDEOUZOJZIXMNQ-UHFFFAOYSA-N,2,1,0.778,91,781,449.877,4.001,5,0.389,0.75,1.0,0.8610616133232815,0.8503358234528133,0.712682475498595,0.7067712973750943,0.7827128024124459
EOS-2-00175,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)n1,ZPKODKKJCDRXOS-UHFFFAOYSA-N,2,1,0.778,91,781,449.877,4.001,5,0.389,0.74,1.0,0.8586457405249811,0.8535398533342471,0.7126910424234117,0.7067798642999109,0.7829141251456377
EOS-2-00176,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cc2)n1,OMHWUTPGISWHQU-UHFFFAOYSA-N,2,1,0.653,91,781,449.877,4.001,5,0.389,0.65,1.0,0.7298248920567473,0.8367058460694949,0.6784404770063738,0.6872901103419916,0.7330653313686518
EOS-2-00177,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(F)c1,CVSNEFJOLGRQIU-UHFFFAOYSA-N,2,1,0.5,26,639,449.877,4.001,5,0.364,0.68,1.0,0.8259115208004935,0.7905900897813721,0.670181961483106,0.6785347131793571,0.7413045713110822
EOS-2-00178,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cc2)n1,TXGAIUGWLYMPIY-UHFFFAOYSA-N,2,1,0.608,91,70,449.877,4.001,5,0.389,0.73,1.0,0.8332105407442945,0.8739291343979165,0.6891919676512919,0.7012798985676102,0.7744028853402782
EOS-2-00179,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2)cn1,KJCBMMAFZRILON-UHFFFAOYSA-N,2,1,0.561,15,519,449.877,4.001,5,0.364,0.67,1.0,0.7966040710026728,0.8030121307655405,0.7694726201082859,0.7417928860256322,0.7777204269755329
EOS-2-00180,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)cn1,SMBHICIXXZYXSL-UHFFFAOYSA-N,2,1,0.571,35,619,449.877,4.001,5,0.389,0.69,1.0,0.7625933794805017,0.7943938043999725,0.7763175930368035,0.7746384757727366,0.7769858131725036
EOS-2-00181,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccc(Cl)cc1,UTDPHIIYRCTDAQ-UHFFFAOYSA-N,2,1,0.523,95,835,449.877,4.001,5,0.389,0.75,1.0,0.5513073127270235,0.5701117126996094,0.6452522102666027,0.7012884654924268,0.6169899252964156
EOS-2-00182,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(F)c2)cn1,PSBXILVVUCPQFA-UHFFFAOYSA-N,2,1,0.565,37,619,449.877,4.001,5,0.389,0.78,1.0,0.7909670344733054,0.7905986567061888,0.7672109519566856,0.7674422589267357,0.7790547255157289
EOS-2-00183,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cn1,MYZCFEQAAHKIBV-UHFFFAOYSA-N,2,1,0.625,59,294,449.877,4.441,5,0.381,0.74,1.0,0.5617246933040916,0.637533411006785,0.7532725652799671,0.7338513467205812,0.6715955040778562
EOS-2-00184,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cc2)n1,TWMOUVCCIROTHO-UHFFFAOYSA-N,2,1,0.608,91,70,449.877,4.001,5,0.389,0.7,1.0,0.8332191076691111,0.8768504557604002,0.6892005345761085,0.6985127818518264,0.7744457199643616
EOS-2-00185,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)cn1,VEXONJSFIBUEMO-UHFFFAOYSA-N,2,1,0.625,59,294,449.877,4.441,5,0.381,0.73,1.0,0.5561047906243575,0.6420910150092523,0.7532811322047838,0.7366869988348982,0.6720409841683229
EOS-2-00186,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)cn1,BFKINAKYEBNWCF-UHFFFAOYSA-N,2,1,0.471,59,332,449.877,4.441,5,0.381,0.78,1.0,0.497395654855733,0.5610650400932081,0.7075594544582277,0.709795421835378,0.6189538928106367
EOS-2-00187,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cn1,PXHPSZKQDHGKLX-UHFFFAOYSA-N,2,1,0.489,59,910,449.877,4.267,5,0.398,0.79,0.999,0.5757316153793435,0.6092368583373312,0.7230998560756631,0.7012970324172435,0.6523413405523953
EOS-2-00188,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)cn1,TWEBPDGUOSOONM-UHFFFAOYSA-N,2,1,0.494,59,109,449.877,4.267,5,0.398,0.75,1.0,0.5357326434103215,0.6189517510794326,0.7178054965389624,0.7038499760126106,0.6440849667603318
EOS-2-00189,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(Cl)c(F)c1,HQCYILGOHQSMNT-UHFFFAOYSA-N,2,1,0.553,95,998,449.877,4.001,5,0.389,0.75,1.0,0.510083270509218,0.5147950791583853,0.6812332944966075,0.712528270851895,0.6046599787540264
EOS-2-00190,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cn2)cn1,YXJUHZVSPGYYNJ-UHFFFAOYSA-N,2,1,0.478,59,910,449.877,4.441,5,0.381,0.73,1.0,0.5306952916181208,0.5750119936947433,0.7384946199712151,0.7229799191282297,0.6417954561030772
EOS-2-00191,Cn1cc(-c2cc(F)c(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)cn1,XFTVFSCXSRCJSO-UHFFFAOYSA-N,2,1,0.662,84,73,449.877,4.001,5,0.389,0.78,1.0,0.5988023439106298,0.6189603180042492,0.7126996093482284,0.7366955657597148,0.6667894592557055
EOS-2-00192,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cn2)cn1,DOFHAFNHLIVECU-UHFFFAOYSA-N,2,1,0.483,59,109,449.877,4.441,5,0.381,0.7,1.0,0.4925553423343157,0.580332054005894,0.7309642930573641,0.7281886094167638,0.6330100747035844
EOS-2-00193,Cc1cn(C)c(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)n1,GCEODPSOLFDNDF-UHFFFAOYSA-N,2,1,0.636,2,294,449.877,4.267,5,0.398,0.77,1.0,0.6324617915153177,0.6189688849290659,0.7231084230004797,0.7038585429374272,0.6695994105955727
EOS-2-00194,CCn1ccnc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,JVBGEHPWYGVARV-UHFFFAOYSA-N,2,1,0.612,2,294,449.877,4.441,5,0.381,0.73,1.0,0.6185833733123158,0.5855750119936948,0.7257042012199301,0.7177712288396957,0.6619084538414091
EOS-2-00195,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)cn2)cn1,PKZUNVYFYIVZAY-UHFFFAOYSA-N,2,1,0.512,55,16,449.877,4.441,5,0.381,0.7,1.0,0.4489325611678432,0.5469810156946062,0.7178140634637791,0.7125368377767116,0.606566119525735
EOS-2-00196,Cn1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccc(F)nc1,QAYIKYOFHUMQHX-UHFFFAOYSA-N,2,1,0.49,87,307,449.877,4.001,5,0.364,0.62,1.0,0.6870588033719416,0.7245133986704133,0.697390514700843,0.7013055993420602,0.7025670790213145
EOS-2-00197,Cn1ncc(-c2nnc3cncc(OCCc4ccccn4)n23)c1-c1ccc(Cl)c(F)c1,FLMCIAWJQSOJSY-UHFFFAOYSA-N,2,1,0.586,37,563,449.877,4.001,5,0.389,0.71,1.0,0.5872284284833116,0.57502056061956,0.587194160784045,0.6410715509560688,0.5976286752107464
EOS-2-00198,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccc(F)cc1,AWAQXDXPXYFHKI-UHFFFAOYSA-N,2,1,0.547,95,266,449.877,4.001,5,0.364,0.76,1.0,0.5932338427797957,0.5855835789185114,0.6327530669590844,0.6872986772668083,0.6247172914810499
EOS-2-00199,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(F)c1,JNUPFBUGFPYZKX-UHFFFAOYSA-N,2,1,0.511,26,563,449.877,4.001,5,0.389,0.65,1.0,0.8405181276129121,0.7906072236310054,0.6973990816256597,0.7038671098622439,0.7580978856829553
EOS-2-00200,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1F,YZIFJCZDTXQDIA-UHFFFAOYSA-N,2,1,0.583,35,626,449.877,4.001,5,0.364,0.62,1.0,0.9177660886848057,0.8975481461174697,0.6892091015009252,0.6931413199917758,0.799416164073744
EOS-2-00201,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cn2)cn1,DVLKMFXFGRZVST-UHFFFAOYSA-N,2,1,0.56,84,73,449.877,4.001,5,0.389,0.78,1.0,0.6413628263998356,0.7692070454389692,0.7575731615379343,0.7520303611815503,0.7300433486395724
EOS-2-00202,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nc2F)n1,ZXPGDWDNNSTWHC-UHFFFAOYSA-N,2,1,0.581,19,442,449.877,4.001,5,0.364,0.71,1.0,0.6241775752175999,0.6420995819340689,0.6241604413679666,0.6496127749982866,0.6350125933794805
EOS-2-00203,Cn1ncc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)c1-c1ccccn1,SZVIFEHBATUARA-UHFFFAOYSA-N,2,1,0.563,84,672,449.877,4.001,5,0.389,0.69,1.0,0.6324703584401343,0.6044051127407306,0.57466074977726,0.6436930299499691,0.6138073127270235
EOS-2-00204,Cn1ncc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)c1-c1ccccn1,IFLBOOHBCLFTEK-UHFFFAOYSA-N,2,1,0.6,84,73,449.877,4.001,5,0.389,0.73,1.0,0.5932424097046124,0.5750291275443766,0.5746693167020767,0.6437015968747858,0.5966606127064629
EOS-2-00205,Cn1ncc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1-c1ccccn1,OEZZPKYJJUUIKN-UHFFFAOYSA-N,2,1,0.675,84,360,449.877,4.001,5,0.389,0.71,1.0,0.717402851072579,0.6092454252621479,0.6002073195805634,0.6496213419231033,0.6441192344595984
EOS-2-00206,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)n1C,QCHCEBKUQAIQEP-UHFFFAOYSA-N,2,1,0.548,16,772,449.877,4.267,5,0.398,0.64,1.0,0.8077239394147077,0.8334161469398944,0.7623449386608183,0.7281971763415804,0.7829205503392502
EOS-2-00207,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnn(C)c1,MLRIDOMZCMKXFM-UHFFFAOYSA-N,2,1,0.413,13,251,449.877,4.734,5,0.385,0.69,1.0,0.36756390925913235,0.47398224933177985,0.6508635460215201,0.6468028236584196,0.5348031320677129
EOS-2-00208,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nc2)n[nH]1,PFOOPGUWIZYNTK-UHFFFAOYSA-N,2,1,0.575,84,308,449.877,4.299,5,0.415,0.72,0.964,0.8586543074497979,0.8183897608114591,0.7412103351380989,0.7338599136453978,0.7880285792611884
EOS-2-00209,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)c1,KRSRYCNGOIIYSN-UHFFFAOYSA-N,2,1,0.435,2,328,449.877,4.441,5,0.381,0.71,1.0,0.5843670755945446,0.5421492700980056,0.7672195188815023,0.765009252278802,0.6646862792132137
EOS-2-00210,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c1,HLQWQXHBZQSJPC-UHFFFAOYSA-N,2,1,0.583,2,328,449.877,4.441,5,0.381,0.71,1.0,0.6385785758344185,0.6044136796655473,0.8061647590980742,0.7862894935234048,0.7088616270303612
EOS-2-00211,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)c1,ACWDWOWWORMZGQ-UHFFFAOYSA-N,2,1,0.452,2,328,449.877,4.441,5,0.381,0.67,1.0,0.5561133575491741,0.5610736070180248,0.7894249880063052,0.7796072921664039,0.671554811184977
EOS-2-00212,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)nc2)n[nH]1,CMLKMGJIDQADCE-UHFFFAOYSA-N,2,1,0.449,84,672,449.877,4.299,5,0.415,0.73,0.987,0.7477983003221164,0.8069443492563909,0.7178226303885957,0.7311013638544308,0.7509166609553835
EOS-2-00213,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)nc2)c1,RZJQJTDNZNOJPM-UHFFFAOYSA-N,2,1,0.479,84,672,449.877,4.001,5,0.389,0.74,1.0,0.7536238091974505,0.7692156123637859,0.715184017545062,0.7177797957645123,0.7389508087177027
EOS-2-00214,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)cn1,WUWNBPRYUWBWTC-UHFFFAOYSA-N,2,1,0.704,84,360,449.877,4.001,5,0.389,0.83,1.0,0.7966126379274896,0.8069529161812076,0.7787248989102872,0.759877664313618,0.7855420293331505
EOS-2-00215,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)cn1,QLDKPVDUHRXFQN-UHFFFAOYSA-N,2,1,0.646,59,294,449.877,4.441,5,0.381,0.73,1.0,0.5307038585429374,0.5421578370228223,0.759929065862518,0.7418014529504489,0.6436480535946816
EOS-2-00216,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)cn1,SYMWMPJMEXIOHF-UHFFFAOYSA-N,2,1,0.5,16,329,449.877,4.441,5,0.381,0.68,1.0,0.4418648481940923,0.4968987732163663,0.7437632787334658,0.7338684805702145,0.6040988451785347
EOS-2-00217,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccn1,ZCJXXKARDXGCQA-UHFFFAOYSA-N,2,1,0.622,59,624,449.877,4.441,5,0.381,0.71,1.0,0.7266465629497636,0.6189774518538825,0.7599376327873346,0.7442687272976493,0.7124575937221574
EOS-2-00218,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccn1,BCKKGXWAVZYANI-UHFFFAOYSA-N,2,1,0.484,24,624,449.877,4.441,5,0.381,0.67,1.0,0.610119251593448,0.570120279624426,0.7412189020629155,0.7367041326845316,0.6645406414913302
EOS-2-00219,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)ccn1,VEFIIGDMWCCFLY-UHFFFAOYSA-N,2,1,0.484,24,624,449.877,4.441,5,0.381,0.64,1.0,0.5960694948941128,0.5610821739428414,0.7412274689877322,0.7367126996093483,0.6587729593585085
EOS-2-00220,CCn1cc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccn2)cn1,KRKLGOAPTHUQGM-UHFFFAOYSA-N,2,1,0.488,16,332,449.877,4.441,5,0.381,0.79,1.0,0.4395946131176753,0.48252347337399765,0.7151925844698787,0.7204612432321293,0.5894429785484202
EOS-2-00221,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccn1,QXGJMAVIWRCUAY-UHFFFAOYSA-N,2,1,0.512,16,577,449.877,4.267,5,0.398,0.74,1.0,0.485144952367898,0.5285192927146871,0.7257127681447467,0.7125454047015284,0.612980604482215
EOS-2-00222,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)cn1,QAGXSEBUIZKEAM-UHFFFAOYSA-N,2,1,0.646,59,294,449.877,4.441,5,0.381,0.73,1.0,0.5256065382770201,0.546989582619423,0.7599461997121513,0.7442772942224659,0.6442049037077651
EOS-2-00223,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccn1,FBKUDEBIVSTDRD-UHFFFAOYSA-N,2,1,0.581,75,276,449.877,4.001,5,0.389,0.58,1.0,0.7327633472688644,0.6813617983688575,0.7385031868960318,0.7391628401069152,0.7229477931601671
EOS-2-00224,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)ccn1,BPZRIHRBPXRGGA-UHFFFAOYSA-N,2,1,0.619,75,276,449.877,4.001,5,0.389,0.66,1.0,0.6750394078541567,0.6421081488588856,0.7385117538208484,0.7418100198752656,0.699367332602289
EOS-2-00225,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)c1,JFJXIVWWLWGWRZ-UHFFFAOYSA-N,2,1,0.511,84,328,449.877,4.001,5,0.389,0.67,1.0,0.7174114179973956,0.6813703652936742,0.7833510383112878,0.7817318895209375,0.7409661777808239
EOS-2-00226,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,RTAZACNZPHLTIR-UHFFFAOYSA-N,2,1,0.667,84,328,449.877,4.001,5,0.389,0.71,1.0,0.7626019464053183,0.6863049139880748,0.802275375231307,0.7862980604482215,0.7593700740182304
EOS-2-00227,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)c1,FVPYOCWSZNJNTK-UHFFFAOYSA-N,2,1,0.539,84,328,449.877,4.001,5,0.389,0.66,1.0,0.6929528476458091,0.6375419779316017,0.7873603591254883,0.7796158590912207,0.7243677609485298
EOS-2-00228,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1,XWXBPTZNSPBDMK-UHFFFAOYSA-N,2,1,0.529,84,328,449.877,4.001,5,0.389,0.71,1.0,0.7112003975053115,0.6421167157837023,0.7555085326571174,0.7650178192036187,0.7184608662874374
EOS-2-00229,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cn2)c1,ZRIIVWFHUHMXTI-UHFFFAOYSA-N,2,1,0.56,84,276,449.877,4.001,5,0.389,0.7,1.0,0.8233414433554931,0.8768590226852169,0.7152011513946953,0.712553971626345,0.7819888972654375
EOS-2-00230,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)c2)c1,GWXQGNCEAMMAHJ-UHFFFAOYSA-N,2,1,0.533,15,438,449.877,4.001,5,0.364,0.62,1.0,0.8207028305119595,0.7648379137824687,0.6837776711671578,0.6845058597765746,0.7384560688095402
EOS-2-00231,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cnc(Cl)cc5F)n34)c2)c1,SRDIYPGXTZAHNE-UHFFFAOYSA-N,2,1,0.522,15,438,449.877,4.001,5,0.364,0.62,1.0,0.7909756013981222,0.7520046604071002,0.7178311973134124,0.7038756767870605,0.7411717839764239
EOS-2-00232,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccc2Cl)c1,XLUXUAMTPBPMHP-UHFFFAOYSA-N,2,1,0.583,37,669,449.877,4.001,5,0.364,0.67,1.0,0.9091220615447879,0.9128743746144884,0.7461106161332328,0.7367212665341649,0.8262070797066685
EOS-2-00233,CCn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)cn1,KEZCWXZVHMMZGW-UHFFFAOYSA-N,2,1,0.529,4,394,449.877,4.441,5,0.381,0.66,1.0,0.6046364197107806,0.7863408950723049,0.7152097183195121,0.7204698101569461,0.7066642108148858
EOS-2-00234,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)c1,UAYNXEIQCVEWTH-UHFFFAOYSA-N,2,1,0.406,46,1,449.877,4.441,5,0.381,0.7,1.0,0.4700414639161127,0.45644575423206085,0.7437718456582825,0.7442858611472826,0.6036362312384347
EOS-2-00235,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c1,OCMPTGYZVBBNTF-UHFFFAOYSA-N,2,1,0.529,46,1,449.877,4.441,5,0.381,0.71,1.0,0.567541635254609,0.47399081625659656,0.764803646083202,0.7495630868343499,0.6389747961071893
EOS-2-00236,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)c1,RASGNTAGONBNEI-UHFFFAOYSA-N,2,1,0.406,46,1,449.877,4.441,5,0.381,0.69,1.0,0.47521588650538005,0.4520166541018436,0.7437804125830991,0.7418185868000823,0.6032078849976013
EOS-2-00237,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)c1,KQZLSPTVUIPAQZ-UHFFFAOYSA-N,2,1,0.406,46,1,449.877,4.441,5,0.381,0.63,1.0,0.4727486121581797,0.44777602631759306,0.7461191830580495,0.7391714070317319,0.6014538071413886
EOS-2-00238,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)c1,WNHZPOYUCSGFTJ-UHFFFAOYSA-N,2,1,0.553,26,125,449.877,4.001,5,0.389,0.69,1.0,0.9205674730998561,0.8714104585018162,0.7412360359125488,0.7469673086148996,0.8200453190322802
EOS-2-00239,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)c1,VDIKYWYZDWOCRI-UHFFFAOYSA-N,2,1,0.538,84,672,449.877,4.001,5,0.389,0.7,1.0,0.8562727023507641,0.8899921184291687,0.7152182852443287,0.717788362689329,0.7948178671783976
EOS-2-00240,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cc2)n1,LNNVMLSXAOBTKM-UHFFFAOYSA-N,2,1,0.61,91,803,449.877,4.001,5,0.389,0.74,1.0,0.9122318552532382,0.9044102528956206,0.705100747035844,0.7229884860530464,0.8111828353094372
EOS-2-00241,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)c1,OSOFPRGPVJODFP-UHFFFAOYSA-N,2,1,0.541,84,749,449.877,4.001,5,0.389,0.73,1.0,0.8451271331642793,0.8627835652114317,0.6837862380919745,0.6958056336097594,0.7718756425193612
EOS-2-00242,Cn1ncc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1-c1ccncc1,LJKVDDVGTQSKHQ-UHFFFAOYSA-N,2,1,0.625,84,749,449.877,4.001,5,0.389,0.68,1.0,0.5150435199780686,0.46963881844972927,0.642202385031869,0.6958142005345761,0.5806747309985607
EOS-2-00243,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)c1,LLBUFEYLDJLSEK-UHFFFAOYSA-N,2,1,0.506,43,521,449.877,4.441,5,0.381,0.76,1.0,0.44894112809265985,0.5329997943938044,0.5872027277088616,0.6496299088479199,0.5546933897608115
EOS-2-00244,Cn1nccc1-c1cncc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c1,OHBLUTWKCWDHPG-UHFFFAOYSA-N,2,1,0.671,84,360,449.877,4.001,5,0.389,0.69,1.0,0.6502381605099034,0.6326502638612843,0.7833596052361045,0.769986635597286,0.7090586663011447
EOS-2-00245,Cn1nccc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,YHGRVCDPRHSOMT-UHFFFAOYSA-N,2,1,0.671,84,360,449.877,4.001,5,0.389,0.72,1.0,0.6533907888424371,0.632658830786101,0.7833681721609211,0.7674508258515523,0.7092171544102529
EOS-2-00246,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cn1,SKVKULDJUIITIA-UHFFFAOYSA-N,2,1,0.548,46,294,449.877,4.441,5,0.381,0.73,1.0,0.43250119936947434,0.4209872524158728,0.755517099581934,0.7418271537248989,0.5877081762730451
EOS-2-00247,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,IGBQJQRMGKWWJL-UHFFFAOYSA-N,2,1,0.568,46,294,449.877,4.267,5,0.398,0.75,1.0,0.4653210883421287,0.4609005551367281,0.7555256665067507,0.7229970529778631,0.6011860907408677
EOS-2-00248,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cn2)c1,NKULVJFNBPDXTP-UHFFFAOYSA-N,2,1,0.56,84,276,449.877,4.001,5,0.389,0.76,1.0,0.8178843122472758,0.8739377013227332,0.7152268521691454,0.7177969296141457,0.7812114488383249
EOS-2-00249,Cc1cn(C)nc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,KBPMSTHSGBEHKA-UHFFFAOYSA-N,2,1,0.641,2,294,449.877,4.267,5,0.398,0.7,1.0,0.5284336234665205,0.6140771708587486,0.7510622986772668,0.7282057432663971,0.6554447090672333
EOS-2-00250,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccn1,AERXYRMGJQWDCU-UHFFFAOYSA-N,2,1,0.581,75,276,449.877,4.001,5,0.389,0.6,1.0,0.732771914193681,0.6813789322184909,0.7385203207456651,0.7418357206497156,0.7236267219518882
EOS-2-00251,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccn1,AEEMHVZMPMURGY-UHFFFAOYSA-N,2,1,0.675,75,360,449.877,4.001,5,0.389,0.65,1.0,0.8382393256116785,0.6472997052977864,0.759954766636968,0.7469758755397162,0.7481174182715373
EOS-2-00252,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)ccn1,ZPTBXFQMVBQMDG-UHFFFAOYSA-N,2,1,0.612,75,276,449.877,4.001,5,0.389,0.63,1.0,0.7266551298745803,0.6326673977109177,0.7437889795079159,0.7367298334589816,0.709960335138099
EOS-2-00253,Cn1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1-c1ccccc1,RFMSTSMCSSRCMG-UHFFFAOYSA-N,2,1,0.5,95,54,449.877,4.001,5,0.364,0.71,0.999,0.5150520869028853,0.4785312864094305,0.5612106778150915,0.6147453909944486,0.542384860530464
EOS-2-00254,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ccn2)c(C)n1,CMFRXWGALGOPRL-UHFFFAOYSA-N,2,1,0.59,13,573,449.877,4.963,5,0.377,0.75,1.0,0.512610513330135,0.5193441162360359,0.6391696936467686,0.6437101637996024,0.5787086217531355
EOS-2-00255,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1ccc(Cl)cc1,CKJSQGNXMMTGMV-UHFFFAOYSA-N,2,1,0.523,95,835,449.877,4.001,5,0.389,0.77,1.0,0.5812487149612775,0.5803406209307107,0.6183006647933658,0.6873072441916249,0.6167993112192447
EOS-2-00256,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)c2)n1,RRFRPXVONKJBAM-UHFFFAOYSA-N,2,1,0.595,91,70,449.877,4.001,5,0.389,0.72,1.0,0.6719296141457063,0.7648464807072853,0.6701905284079227,0.689988691659242,0.6992388287300391
EOS-2-00257,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nn2C)nc1,XLLDKSXKUYEJSQ-UHFFFAOYSA-N,2,1,0.561,95,998,449.877,4.267,5,0.398,0.71,1.0,0.48015900212459733,0.47853985333424714,0.6758618326365567,0.6815502707148242,0.5790277397025563
EOS-2-00258,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)nc1,QVZWNMWLESAXJJ-UHFFFAOYSA-N,2,1,0.495,84,1,449.877,4.001,5,0.389,0.72,1.0,0.7206839832773627,0.6716297717771229,0.7360444794736481,0.7391799739565486,0.7168845521211706
EOS-2-00259,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)nc1,YLCCSWNKMGRVNR-UHFFFAOYSA-N,2,1,0.463,84,1,449.877,4.001,5,0.389,0.7,1.0,0.7384603522719485,0.6913336988554588,0.7337485436227812,0.7418442875745322,0.7263467205811802
EOS-2-00260,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(Cl)c(F)c1,ZYDDRCZDYWRVDO-UHFFFAOYSA-N,2,1,0.54,95,998,449.877,4.001,5,0.389,0.74,1.0,0.5357412103351381,0.5193526831608526,0.6535192927146871,0.6931498869165924,0.6004407682818176
EOS-2-00261,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c(F)c2)cn1,RVUWWGCINJKENX-UHFFFAOYSA-N,2,1,0.529,4,10,449.877,4.441,5,0.381,0.72,1.0,0.47005003084092933,0.5997361387156467,0.7100609965046947,0.7151497498457954,0.6237492289767665
EOS-2-00262,Cn1ncc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1-c1ccc(Cl)cc1,SLSFAXFYYOARPF-UHFFFAOYSA-N,2,1,0.578,37,161,449.877,4.001,5,0.389,0.69,1.0,0.5960780618189295,0.652439860187787,0.6535278596395038,0.7125625385511617,0.6536520800493455
EOS-2-00263,Cn1ncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1-c1ccccc1F,JOOQKVIYXMYFBA-UHFFFAOYSA-N,2,1,0.581,37,626,449.877,4.001,5,0.364,0.75,1.0,0.6213419231032828,0.5656055102460421,0.6153450757316153,0.6785432801041738,0.6202089472962784
EOS-2-00264,CCn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1,FUIRKUWSKLYKGF-UHFFFAOYSA-N,2,1,0.697,43,96,449.877,4.441,5,0.381,0.7,1.0,0.6270303611815503,0.7339455828935645,0.715235419093962,0.7418528544993489,0.7045160544171064
EOS-2-00265,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cccc(F)c1,LJVIBBFWDCRFID-UHFFFAOYSA-N,2,1,0.516,95,998,449.877,4.001,5,0.389,0.82,1.0,0.5051230210403673,0.4739993831814132,0.6031886094167638,0.6785518470289905,0.5652157151668837
EOS-2-00266,CCn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)c2)cn1,YEVPZIFUOBCXFS-UHFFFAOYSA-N,2,1,0.541,16,772,449.877,4.441,5,0.381,0.69,1.0,0.5460986224384895,0.6278956205880337,0.7894335549311219,0.7699952025221026,0.683355750119937
EOS-2-00267,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)nc1,RLEITODOTRIDDD-UHFFFAOYSA-N,2,1,0.463,84,1,449.877,4.001,5,0.389,0.66,1.0,0.7384689191967652,0.6961054759783428,0.7360530463984648,0.7391885408813652,0.7274539956137345
EOS-2-00268,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nc1,AZXOHRXWGBGZSB-UHFFFAOYSA-N,2,1,0.595,84,308,449.877,4.001,5,0.389,0.79,1.0,0.8428825988623124,0.6863134809128915,0.757581728462751,0.7442944280720992,0.7577680590775135
EOS-2-00269,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)cn1,HKQHCDNOSQDHGQ-UHFFFAOYSA-N,2,1,0.538,84,672,449.877,4.001,5,0.389,0.79,1.0,0.6750479747789734,0.7735076416969364,0.7555342334315674,0.7545490370776506,0.7396597217462819
EOS-2-00270,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)cn1,AYZKQJCLJMTURP-UHFFFAOYSA-N,2,1,0.548,84,749,449.877,4.001,5,0.389,0.74,1.0,0.67505654170379,0.747549859502433,0.7283856486875471,0.7311099307792475,0.7205254951682544
EOS-2-00271,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)cn1,PJYRKHOGLXTALR-UHFFFAOYSA-N,2,1,0.704,84,360,449.877,4.001,5,0.389,0.81,1.0,0.7994140223425399,0.8069614831060242,0.7787334658351038,0.7571876499211843,0.785574155301213
EOS-2-00272,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)nc2)cn1,WRUHAQWZBBXYEV-UHFFFAOYSA-N,2,1,0.473,84,672,449.877,4.001,5,0.389,0.78,1.0,0.6046449866355973,0.6189860187786992,0.7575902953875677,0.7571962168460009,0.6846043794119663
EOS-2-00273,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nc2)cn1,WTKWAGQPIDZIGN-UHFFFAOYSA-N,2,1,0.61,84,308,449.877,4.001,5,0.389,0.85,1.0,0.747806867246933,0.6189945857035158,0.7810037009115208,0.7623877732849017,0.7275482317867179
EOS-2-00274,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cn2)cn1,HODWUCHGKPRICX-UHFFFAOYSA-N,2,1,0.575,84,752,449.877,4.001,5,0.389,0.72,1.0,0.6159361935439654,0.7475584264272497,0.7461277499828661,0.7391971078061819,0.7122048694400658
EOS-2-00275,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)n1,XBROJUMFVWQMIO-UHFFFAOYSA-N,2,1,0.576,37,626,449.877,4.001,5,0.364,0.7,1.0,0.8382478925364951,0.8503443903776301,0.7385288876704817,0.7338770474950311,0.7902495545199095
EOS-2-00276,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccc(F)cc1,ZWJDLBHSEJAOAA-UHFFFAOYSA-N,2,1,0.478,95,266,449.877,4.001,5,0.389,0.69,0.999,0.5409241998492221,0.5610907408676582,0.5612192447399081,0.6380217257213351,0.575313977794531
EOS-2-00277,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)c1,BSEUJTCUDUQOBQ-UHFFFAOYSA-N,2,1,0.704,84,360,449.877,4.001,5,0.389,0.76,1.0,0.9177746556096223,0.8997155780960866,0.7385374545952985,0.7256356658213967,0.8204158385306011
EOS-2-00278,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccc(Cl)cc1,ZLLDHVSNFGGPOM-UHFFFAOYSA-N,2,1,0.473,95,266,449.877,4.001,5,0.389,0.74,0.998,0.520192241792886,0.5750376944691933,0.5646374477417586,0.6496384757727366,0.5773764649441436
EOS-2-00279,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,UJKWLXBQSNHINE-UHFFFAOYSA-N,2,1,0.463,26,55,449.877,4.441,5,0.356,0.6,1.0,0.6016465629497636,0.514803646083202,0.7510708656020835,0.715158316770612,0.6456698478514152
EOS-2-00280,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1F,PIEIDSXXOIJLKM-UHFFFAOYSA-N,2,1,0.5,26,911,449.877,4.441,5,0.381,0.66,1.0,0.7683246521828524,0.6863220478377082,0.7718028236584196,0.7623963402097184,0.7472114659721746
EOS-2-00281,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)c1,LAWPAHMAMUXBBB-UHFFFAOYSA-N,2,1,0.704,84,360,449.877,4.001,5,0.389,0.74,1.0,0.9192224659036392,0.8975567130422863,0.7385460215201152,0.7230056199026798,0.8195827050921802
EOS-2-00282,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccc2F)cn1,GLXUVKLLNRMVQG-UHFFFAOYSA-N,2,1,0.523,16,394,449.877,4.441,5,0.356,0.6,1.0,0.5617332602289082,0.6326759646357344,0.7739188540881365,0.7572047837708177,0.6813832156808992
EOS-2-00283,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccc(Cl)cc1,IYESPDHQESKEDY-UHFFFAOYSA-N,2,1,0.553,95,266,449.877,4.001,5,0.364,0.72,1.0,0.6101278185182647,0.632684531560551,0.6241690082927832,0.6754591871701734,0.6356101363854432
EOS-2-00284,Cn1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)n1,YNPXMMIJUIOVHW-UHFFFAOYSA-N,2,1,0.583,84,308,449.877,4.001,5,0.389,0.75,1.0,0.5960866287437462,0.5148122130080186,0.7257213350695634,0.7151668836954287,0.6379467651291892
EOS-2-00285,Cn1ccc(-c2ccnc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)n1,GFOVMYLUPHBJDZ-UHFFFAOYSA-N,2,1,0.5,84,749,449.877,4.001,5,0.389,0.72,1.0,0.5435114111438558,0.5013792748954835,0.6728805428003564,0.6899972585840587,0.6019421218559385
EOS-2-00286,Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)n[nH]1,AABQYOPWUVKCMR-UHFFFAOYSA-N,2,1,0.478,84,749,449.877,4.299,5,0.415,0.65,1.0,0.6562093071071208,0.647308272222603,0.6920961551641422,0.7151754506202453,0.6776972962785278
EOS-2-00287,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1cc(F)cc(Cl)c1,NHQMGDMBUGMJGW-UHFFFAOYSA-N,2,1,0.522,95,266,449.877,4.001,5,0.389,0.77,0.999,0.4604550750462614,0.41658385306010554,0.5412240422178055,0.6084915358782811,0.5066886265506134
EOS-2-00288,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(Cl)cc1F,UEXGDPQDUWHUCZ-UHFFFAOYSA-N,2,1,0.545,95,998,449.877,4.001,5,0.389,0.73,1.0,0.5646460146665753,0.5610993077924749,0.6241775752175999,0.6785604139538072,0.6071208279076143
EOS-2-00289,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccc(F)cc1,STGCNZYKMLOKKB-UHFFFAOYSA-N,2,1,0.523,95,835,449.877,4.001,5,0.389,0.75,1.0,0.5757401823041601,0.5469981495442396,0.6183092317181824,0.6873158111164417,0.607090843670756
EOS-2-00290,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1ccc(Cl)cc1,BCUBPWFMXAYVQH-UHFFFAOYSA-N,2,1,0.472,95,266,449.877,4.001,5,0.389,0.79,1.0,0.5001456377218834,0.5656140771708588,0.5178106366938524,0.6116527311356316,0.5488057706805566
EOS-2-00291,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1c(F)cccc1Cl,YQKWYXHISCSNHS-UHFFFAOYSA-N,2,1,0.534,95,266,449.877,4.001,5,0.389,0.71,0.988,0.4752244534301967,0.48253204029881436,0.5141268590226852,0.5962665341648962,0.5170374717291482
EOS-2-00292,Cn1nc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)cc1-c1ccccc1,QESHWSBRKCUMFU-UHFFFAOYSA-N,2,1,0.441,95,266,449.877,4.001,5,0.389,0.68,1.0,0.48515351929271466,0.4564543211568775,0.45509218011102737,0.5487629360564732,0.48636573915427317
EOS-2-00293,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccc(F)cc1,HWPFDEJRANHAIN-UHFFFAOYSA-N,2,1,0.473,95,266,449.877,4.001,5,0.389,0.7,0.998,0.5126190802549517,0.5421664039476389,0.5679956822698924,0.652414159413337,0.568798831471455
EOS-2-00294,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cccc(Cl)c1,FMAPKFZDRAWQGK-UHFFFAOYSA-N,2,1,0.468,95,562,449.877,4.001,5,0.389,0.77,0.979,0.46275957782194505,0.482540607223631,0.5481032828455897,0.6410801178808855,0.5336208964430128
EOS-2-00295,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)c1,KZRBUIMXHCJXBR-UHFFFAOYSA-N,2,1,0.538,84,672,449.877,4.001,5,0.389,0.77,1.0,0.8543451442670139,0.8873877732849017,0.7127081762730451,0.7204783770817628,0.7937298677266809
EOS-2-00296,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ccc(F)cc1,KGEMNUDXWCRKRK-UHFFFAOYSA-N,2,1,0.467,95,266,449.877,4.001,5,0.364,0.71,1.0,0.5384055239531218,0.537728736892605,0.5278168048797204,0.6116612980604482,0.5539030909464738
EOS-2-00297,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1ccc(Cl)cc1,VCAKAAZPRNOLRN-UHFFFAOYSA-N,2,1,0.467,95,266,449.877,4.001,5,0.364,0.78,1.0,0.5461071893633062,0.57504626139401,0.5310122678363375,0.6085001028030979,0.5651664553491879
EOS-2-00298,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1ccc(F)cc1,OJQZFHUASPMWRX-UHFFFAOYSA-N,2,1,0.553,95,266,449.877,4.001,5,0.364,0.75,1.0,0.604653553560414,0.5855921458433281,0.6212476869302995,0.67546775409499,0.621740285107258
EOS-2-00299,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)c1,DJEGRKIOPQOBEQ-UHFFFAOYSA-N,2,1,0.576,37,626,449.877,4.001,5,0.364,0.67,1.0,0.9231718182441231,0.8900006853539854,0.7532896991296004,0.7443029949969159,0.8276912994311562
EOS-2-00300,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)cn1,NLGJMISVPVQDAZ-UHFFFAOYSA-N,2,1,0.506,84,749,449.877,4.001,5,0.389,0.72,1.0,0.5333167706120211,0.48254917414844767,0.7309728599821808,0.7392056747309985,0.621511119868412
EOS-2-00301,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cn2)c1,AXAAPIAKFJZMND-UHFFFAOYSA-N,2,1,0.575,84,524,449.877,4.001,5,0.389,0.66,1.0,0.7938712219861559,0.8627921321362484,0.702547803440477,0.7038842437118772,0.7657738503186896
EOS-2-00302,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)c2)n1C,RDUDPLVHDAYGJP-UHFFFAOYSA-N,2,1,0.55,43,671,449.877,4.267,5,0.398,0.72,1.0,0.5988109108354465,0.6961140429031595,0.5242872318552533,0.5934651497498458,0.6031693338359263
EOS-2-00303,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,ZSUPOOKSYLUKQI-UHFFFAOYSA-N,2,1,0.707,84,360,449.877,4.001,5,0.389,0.81,1.0,0.9059865670618875,0.8261513946953601,0.7532982660544171,0.7392142416558152,0.8061626173668699
EOS-2-00304,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)ccn2)c1,BDEIWCTWNIJFGG-UHFFFAOYSA-N,2,1,0.588,84,276,449.877,4.001,5,0.389,0.64,1.0,0.7909841683229388,0.7944023713247893,0.7207525186758961,0.7256442327462134,0.7579458227674594
EOS-2-00305,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1,ZOOWHSJRQSONHN-UHFFFAOYSA-N,2,1,0.628,91,475,449.877,4.001,5,0.389,0.62,1.0,0.7019138510040436,0.8030206976903571,0.7337571105475978,0.7572133506956343,0.7489762524844082
EOS-2-00306,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)ccn2)c1,GXOLIRNLSXWCTR-UHFFFAOYSA-N,2,1,0.598,75,276,449.877,4.001,5,0.389,0.65,1.0,0.7082705092180112,0.7339541498183811,0.7100695634295113,0.7125711054759784,0.7162163319854705
EOS-2-00307,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccc2F)cn1,JKOVGHMPLQDFER-UHFFFAOYSA-N,2,1,0.54,4,394,449.877,4.441,5,0.381,0.56,1.0,0.4466109245425262,0.6092539921869645,0.7257299019943801,0.7338856144198479,0.6288701082859297
EOS-2-00308,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccn2)c1,JREQPRFGAFHCOJ-UHFFFAOYSA-N,2,1,0.61,84,276,449.877,4.001,5,0.389,0.69,1.0,0.7882256185319718,0.7564680282365842,0.6921047220889589,0.7038928106366938,0.7351727948735522
EOS-2-00309,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1,NVSFRBLETKBQJH-UHFFFAOYSA-N,2,1,0.608,91,70,449.877,4.001,5,0.389,0.77,1.0,0.84983037488863,0.8503529573024468,0.689217668425742,0.715184017545062,0.7761462545404703
EOS-2-00310,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,UZRGSUADEULGST-UHFFFAOYSA-N,2,1,0.747,91,781,449.877,4.001,5,0.389,0.67,1.0,0.8178928791720924,0.8653365088067987,0.767228085806319,0.7746470426975532,0.8062761291206909
EOS-2-00311,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1,AJBYBWHGUDZXRZ-UHFFFAOYSA-N,2,1,0.625,91,803,449.877,4.001,5,0.389,0.79,1.0,0.8428911657871291,0.8261599616201768,0.6594476046878213,0.6900058255088753,0.7546261394010007
EOS-2-00312,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccn1,CJVOXHOJFGCMRT-UHFFFAOYSA-N,2,1,0.588,84,672,449.877,4.001,5,0.389,0.63,1.0,0.7653690631211021,0.6961226098279761,0.6535364265643204,0.6695908436707559,0.6961547357960387
EOS-2-00313,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1F,IPMMPURCMVMEEF-UHFFFAOYSA-N,2,1,0.539,26,125,449.877,4.001,5,0.389,0.64,1.0,0.852203413062847,0.8106452607771915,0.7127167431978617,0.7204869440065794,0.7740130902611199
EOS-2-00314,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1F,WCOPNMNXXGYMTP-UHFFFAOYSA-N,2,1,0.527,26,125,449.877,4.001,5,0.389,0.62,1.0,0.8152371324789254,0.8030292646151738,0.717839764238229,0.7338941813446646,0.7675000856692481
EOS-2-00315,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cn1,UGCJVYMINUWVAB-UHFFFAOYSA-N,2,1,0.58,84,524,449.877,4.001,5,0.389,0.7,1.0,0.7882341854567885,0.7820917003632376,0.7207610856007127,0.7204955109313961,0.7528956205880337
EOS-2-00316,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)cn1,QRFQSYZVHIXTOW-UHFFFAOYSA-N,2,1,0.554,84,73,449.877,4.001,5,0.389,0.65,1.0,0.8357035158659447,0.7775854979096704,0.7385545884449318,0.7282143101912137,0.7700144781029401
EOS-2-00317,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cn1,PAUIQWATKLJVIX-UHFFFAOYSA-N,2,1,0.544,84,749,449.877,4.001,5,0.389,0.72,1.0,0.8259200877253101,0.7863494619971215,0.7025563703652937,0.712579672400795,0.75685139812213
EOS-2-00318,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,LGDWAWOMSCAQJB-UHFFFAOYSA-N,2,1,0.778,91,781,449.877,4.001,5,0.389,0.78,1.0,0.8893410321431019,0.8261685285449935,0.7127253101226784,0.7178054965389624,0.7865100918374341
EOS-2-00319,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)ccn1,XYAMLYYACJNXID-UHFFFAOYSA-N,2,1,0.619,75,166,449.877,4.001,5,0.389,0.66,1.0,0.7416729490781989,0.6473168391474197,0.6594561716126379,0.6666609553834556,0.678776728805428
EOS-2-00320,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1,YPXINOVRXQUOTL-UHFFFAOYSA-N,2,1,0.608,91,70,449.877,4.001,5,0.389,0.73,1.0,0.8522119799876636,0.8503615242272634,0.6892262353505586,0.7125882393256117,0.7760969947227743
EOS-2-00321,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F,DNQMDYCNVAZRQV-UHFFFAOYSA-N,2,1,0.73,91,70,449.877,4.001,5,0.389,0.74,1.0,0.8929048728668357,0.9068175587691042,0.6758703995613734,0.7125968062504283,0.7970474093619354
EOS-2-00322,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccn2)c1,MTGDUHMLDWNYAJ-UHFFFAOYSA-N,2,1,0.684,84,276,449.877,4.001,5,0.389,0.71,1.0,0.865353642656432,0.777594064834487,0.7437975464327325,0.7311184977040641,0.779465937906929
EOS-2-00323,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cn1,BWUHOJXHKWWEDM-UHFFFAOYSA-N,2,1,0.543,84,672,449.877,4.001,5,0.389,0.7,1.0,0.8307604002467275,0.814526077719142,0.7309814269069974,0.7311270646288808,0.7768487423754369
EOS-2-00324,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)c1,DCCONLODVBSBOL-UHFFFAOYSA-N,2,1,0.58,84,752,449.877,4.001,5,0.389,0.63,1.0,0.6627201699677884,0.6473254060722363,0.6892348022753753,0.7013141662668768,0.6751486361455692
EOS-2-00325,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)n1,DAFZSQRHSDSZFU-UHFFFAOYSA-N,2,1,0.538,84,672,449.877,4.001,5,0.389,0.66,1.0,0.7384774861215818,0.8106538277020081,0.6945891302857926,0.7013227331916935,0.7362607943252689
EOS-2-00326,N#CC1(n2cc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)COCC2CCC21,SBLWVRYPQPYTAT-UHFFFAOYSA-N,2,1,0.361,78,792,449.877,3.723,6,0.473,0.5,0.99,0.24068775272428208,0.39265643204715234,0.672889109725173,0.8521091768898637,0.5395856178466177
EOS-2-00327,Cn1c(F)cnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,WMYCZXDIWPUFKC-UHFFFAOYSA-N,2,1,0.582,15,669,449.877,4.001,5,0.364,0.63,1.0,0.7882427523816051,0.72452196559523,0.6212562538551162,0.6233037488862998,0.6893311801795627
EOS-2-00328,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)c1,ATHGXYFGFYXDJC-UHFFFAOYSA-N,2,1,0.552,15,438,449.877,4.001,5,0.364,0.7,1.0,0.7738674525392365,0.720032896991296,0.6241861421424165,0.6350747035844013,0.6882902988143376
EOS-2-00329,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)n1,ZJFFQEWEGTXZPJ-UHFFFAOYSA-N,2,1,0.545,37,563,449.877,4.001,5,0.389,0.65,1.0,0.7825800150777876,0.8145346446439586,0.6701990953327394,0.6785689808786238,0.7364706839832774
EOS-2-00330,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(F)c1,INCHDKOKYYZPKT-UHFFFAOYSA-N,2,1,0.5,37,639,449.877,4.001,5,0.364,0.67,1.0,0.7355989993831814,0.7475669933520663,0.6452607771914194,0.6552069769035707,0.6959084367075595
EOS-2-00331,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)cn1,AUBXMQPWFLHYMC-UHFFFAOYSA-N,2,1,0.523,37,639,449.877,4.001,5,0.364,0.7,1.0,0.7266636967993969,0.7564765951614009,0.6999862929202934,0.7039013775615105,0.7217569906106505
EOS-2-00332,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)n1,AUZJWWNECSYUST-UHFFFAOYSA-N,2,1,0.581,37,626,449.877,4.001,5,0.364,0.72,1.0,0.845135700089096,0.8261770954698101,0.7360616133232815,0.7256527996710301,0.7832568021383044
EOS-2-00333,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)cc1,BOXIOGSAIZVMAB-UHFFFAOYSA-N,2,1,0.658,91,520,449.877,4.001,5,0.389,0.71,1.0,0.8893495990679186,0.8997241450209033,0.69999485984511,0.7230141868274964,0.8030206976903571
EOS-2-00334,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1,GBRLXCKOKLQXEM-UHFFFAOYSA-N,2,1,0.653,91,781,449.877,4.001,5,0.389,0.73,1.0,0.785458501816188,0.794410938249606,0.6784490439311904,0.6985213487766432,0.7392099581934068
EOS-2-00335,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ncc5F)n34)cc2)n1,JYTJQLZOLWWKAY-UHFFFAOYSA-N,2,1,0.56,15,889,449.877,4.001,5,0.364,0.65,1.0,0.8179014460969091,0.8145432115687753,0.7231169899252964,0.7013313001165101,0.7642232369268727
EOS-2-00336,Cc1cc(-c2nnc3cncc(OCc4cnn(C)c4-c4ccc(F)nc4)n23)ccc1Cl,CRHVHDZODJCFCE-UHFFFAOYSA-N,2,1,0.512,16,772,449.877,4.267,5,0.373,0.7,1.0,0.4851620862175314,0.6570060311150709,0.7385631553697485,0.7339027482694812,0.653658505242958
EOS-2-00337,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)c2)n1,XQWSMWKRLAERDK-UHFFFAOYSA-N,2,1,0.533,15,438,449.877,4.001,5,0.364,0.7,1.0,0.6870673702967582,0.7339627167431979,0.6674576793914057,0.6695994105955726,0.6895217942567335
EOS-2-00338,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cn1,MWMNASXPHGDQNI-UHFFFAOYSA-N,2,1,0.543,84,672,449.877,4.001,5,0.389,0.76,1.0,0.8284473305462271,0.814551778493592,0.7309899938318142,0.7367384003837982,0.777681875813858
EOS-2-00339,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccn1,YVNDVXAOLVBWNU-UHFFFAOYSA-N,2,1,0.617,84,749,449.877,4.001,5,0.389,0.66,1.0,0.7710660681241861,0.6570145980398876,0.6212648207799328,0.6496470426975532,0.67474813241039
EOS-2-00340,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)cc1,JBFHJXZUCWFKRB-UHFFFAOYSA-N,2,1,0.634,91,742,449.877,4.001,5,0.389,0.74,1.0,0.8498389418134467,0.8261856623946269,0.6974076485504763,0.7067884312247276,0.7700551709958193
EOS-2-00341,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,FYFLLHQBDBJEAQ-UHFFFAOYSA-N,2,1,0.679,84,360,449.877,4.001,5,0.389,0.73,1.0,0.7384860530463985,0.6961311767527928,0.723125556850113,0.7205040778562127,0.7195617161263792
EOS-2-00342,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4cccnc4Cl)n23)ccc1F,MRANJZMSWDEHIR-UHFFFAOYSA-N,2,1,0.523,16,394,449.877,4.267,5,0.373,0.74,0.773,0.5960951956685628,0.6524484271126036,0.7412446028373655,0.7151925844698787,0.6762452025221026
EOS-2-00343,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)c1,ADBQABKHCJMSGP-UHFFFAOYSA-N,2,1,0.581,37,626,449.877,4.001,5,0.364,0.68,1.0,0.9231803851689397,0.8685062709889658,0.7510794325269001,0.7392228085806319,0.8204972243163594
EOS-2-00344,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c(F)c1,BDWXTAIMKGWLIV-UHFFFAOYSA-N,2,1,0.452,26,55,449.877,4.441,5,0.356,0.69,1.0,0.7112089644301282,0.6863306147625249,0.7694811870331026,0.7469844424645329,0.7285013021725721
EOS-2-00345,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cn1,CKDBPNIQNWYFIQ-UHFFFAOYSA-N,2,1,0.473,55,109,449.877,4.441,5,0.381,0.68,1.0,0.6900058255088753,0.6570231649647043,0.7337656774724145,0.7282228771160304,0.7022543862655062
EOS-2-00346,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2F)cn1,PWTZARGMCGIAJT-UHFFFAOYSA-N,2,1,0.523,16,394,449.877,4.441,5,0.381,0.58,1.0,0.5646545815913919,0.6140857377835652,0.7648122130080186,0.7598862312384347,0.6758596909053526
EOS-2-00347,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)c1,VWXKRRDOTZOSSY-UHFFFAOYSA-N,2,1,0.483,2,884,449.877,4.267,5,0.398,0.74,1.0,0.43960318004249194,0.5148207799328353,0.7833767390857378,0.757221917620451,0.623755654170379
EOS-2-00348,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1F,ZDFVPQGXDNKAQI-UHFFFAOYSA-N,2,1,0.517,37,639,449.877,4.001,5,0.364,0.7,1.0,0.8781954629566171,0.8653450757316153,0.5935936536220958,0.6116698649852649,0.7372010143238983
EOS-2-00349,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)c1,DAGOTNQBDSXBAO-UHFFFAOYSA-N,2,1,0.617,59,294,449.877,4.441,5,0.381,0.76,1.0,0.7994225892673565,0.7604345144267014,0.7555428003563841,0.728231444040847,0.7609078370228222
EOS-2-00350,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,YXHRUXYJJGEDMN-UHFFFAOYSA-N,2,1,0.789,91,781,449.877,4.001,5,0.389,0.78,1.0,0.9269926667123569,0.9044188198204373,0.7207696525255294,0.7339113151942979,0.8215231135631553
EOS-2-00351,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)ccn2)c1,OBXXICWPBJITOD-UHFFFAOYSA-N,2,1,0.588,84,276,449.877,4.001,5,0.389,0.65,1.0,0.7909927352477555,0.7944195051744226,0.7207782194503461,0.7282400109656638,0.758607617709547
EOS-2-00352,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,DNGKXDUMXCBXBZ-UHFFFAOYSA-N,2,1,0.789,91,781,449.877,4.001,5,0.389,0.74,1.0,0.9283462408333905,0.9020029470221369,0.7207867863751628,0.7339198821191145,0.8212639640874512
EOS-2-00353,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)c2)cn1,CYJWIFNTLTUOPO-UHFFFAOYSA-N,2,1,0.472,2,884,449.877,4.441,5,0.381,0.77,1.0,0.4188626550613392,0.4651668836954287,0.7810122678363375,0.7770372147214036,0.6105197553286272
EOS-2-00354,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(F)c1,OMTXANQEWPZYCT-UHFFFAOYSA-N,2,1,0.457,26,772,449.877,4.441,5,0.381,0.67,1.0,0.7446885066136659,0.6716383387019396,0.7599633335617847,0.7469930093893496,0.7308207970666849
EOS-2-00355,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cn1,AWTOMDNNWDRQRL-UHFFFAOYSA-N,2,1,0.549,84,672,449.877,4.001,5,0.389,0.64,1.0,0.8357120827907615,0.8403467891165787,0.6479593585086697,0.6638852717428552,0.7469758755397162
EOS-2-00356,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,WWZUUZLWBOFOMJ-UHFFFAOYSA-N,2,1,0.716,84,360,449.877,4.001,5,0.389,0.76,1.0,0.8838153656363512,0.8535484202590639,0.6728976766499897,0.6696079775203893,0.7699673600164485
EOS-2-00357,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cn1,NRSQSVVUBSFGPS-UHFFFAOYSA-N,2,1,0.557,84,749,449.877,4.001,5,0.389,0.73,1.0,0.8259286546501268,0.8106623946268248,0.6183177986429991,0.6437187307244192,0.7246568946610925
EOS-2-00358,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)ccc1F,OLQNCFCBWZOOEK-UHFFFAOYSA-N,2,1,0.552,26,125,449.877,4.001,5,0.364,0.66,1.0,0.9028939072030704,0.8334247138647112,0.7360701802480981,0.7418614214241656,0.8035625556850112
EOS-2-00359,Cc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cc1-c1cnnn1C,FNIJTFOWEQMSDP-UHFFFAOYSA-N,2,1,0.535,43,521,449.877,4.267,5,0.398,0.64,1.0,0.5961037625933795,0.6961397436776094,0.7981803851689397,0.7934086080460558,0.720958124871496
EOS-2-00360,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccc2F)cn1,WZRKSSGXSKCRHU-UHFFFAOYSA-N,2,1,0.506,37,639,449.877,4.001,5,0.364,0.66,1.0,0.7174199849222124,0.7776026317593037,0.7075680213830443,0.7152011513946953,0.729447947364814
EOS-2-00361,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccc2F)cn1,OYCWHFZJJRUDIV-UHFFFAOYSA-N,2,1,0.552,37,394,449.877,4.001,5,0.389,0.65,1.0,0.7653776300459187,0.8069700500308409,0.7360787471729148,0.7392313755054486,0.7619144506887807
EOS-2-00362,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccc2F)cn1,OGXBZRCWMAADMV-UHFFFAOYSA-N,2,1,0.539,37,394,449.877,4.001,5,0.389,0.65,1.0,0.7112175313549448,0.7944280720992393,0.7385717222945651,0.752038928106367,0.7490640634637791
EOS-2-00363,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,IJTGTLBVJXXKDK-UHFFFAOYSA-N,2,1,0.76,91,781,449.877,4.001,5,0.389,0.73,1.0,0.7384946199712151,0.6813874991433075,0.6945976972106093,0.7067969981495442,0.705319203618669
EOS-2-00364,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(Cl)c4)n23)cc1,JPYBMKXQSAYXHG-UHFFFAOYSA-N,2,1,0.605,43,520,449.877,4.441,5,0.381,0.71,1.0,0.7738760194640532,0.7863580289219382,0.6784576108560071,0.7098039887601947,0.7371239120005483
EOS-2-00365,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1,HJIPNLRDLUIRIC-UHFFFAOYSA-N,2,1,0.726,43,520,449.877,4.441,5,0.381,0.71,1.0,0.8981221300801864,0.859733739976698,0.7152439860187787,0.7311356315536974,0.8010588719073402
EOS-2-00366,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cn1,PLKAFSYGHBTVQS-UHFFFAOYSA-N,2,1,0.547,84,672,449.877,4.001,5,0.389,0.75,1.0,0.7966212048523063,0.8069786169556576,0.7309985607566308,0.7339284490439312,0.7671317079021315
EOS-2-00367,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,ZWJPIPKJXRWAJZ-UHFFFAOYSA-N,2,1,0.707,84,360,449.877,4.001,5,0.389,0.77,1.0,0.9076399835515043,0.8261942293194435,0.7533068329792337,0.7392399424302653,0.8065952470701118
EOS-2-00368,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,BOWGHENAPRETCY-UHFFFAOYSA-N,2,1,0.778,91,781,449.877,4.001,5,0.389,0.8,1.0,0.8875248440819683,0.8262027962442602,0.712733877047495,0.7205126447810294,0.7867435405386882
EOS-2-00369,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1,YRRLLBMFERWXLB-UHFFFAOYSA-N,2,1,0.585,91,803,449.877,4.001,5,0.389,0.69,1.0,0.6595161400863546,0.6913422657802755,0.6391782605715852,0.6815588376396409,0.6678988760194641
EOS-2-00370,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)n1,MCCJWOCXPDZAII-UHFFFAOYSA-N,2,1,0.511,37,639,449.877,4.001,5,0.364,0.69,1.0,0.7738845863888698,0.7906157905558221,0.6422109519566856,0.6524227263381537,0.7147835138098828
EOS-2-00371,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(F)c2)n1,PZNMVQAUENMOAR-UHFFFAOYSA-N,2,1,0.517,37,563,449.877,4.001,5,0.389,0.67,1.0,0.7385031868960318,0.7906243574806388,0.6623346583510383,0.6666695223082723,0.7145329312589953
EOS-2-00372,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)cn1,YONDTJOLNZSRJK-UHFFFAOYSA-N,2,1,0.512,18,752,449.877,4.001,5,0.389,0.71,1.0,0.47275717908299636,0.4609091220615448,0.7486635597285998,0.7470015763141663,0.6073328592968268
EOS-2-00373,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)n1C,GHDVHPBGCMDNQA-UHFFFAOYSA-N,2,1,0.633,59,294,449.877,4.267,5,0.398,0.68,1.0,0.7653861969707354,0.7520132273319169,0.7152525529435954,0.6873243780412583,0.7299940888218766
EOS-2-00374,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)cn1,XNDCZGUFCDZYHU-UHFFFAOYSA-N,2,1,0.59,37,394,449.877,4.001,5,0.364,0.64,1.0,0.8179100130217257,0.8367144129943116,0.7935028442190392,0.7817404564457542,0.8074669316702077
EOS-2-00375,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1,LCXGBMUECSSLKW-UHFFFAOYSA-N,2,1,0.726,43,520,449.877,4.441,5,0.381,0.72,1.0,0.894806730176136,0.8565040093208142,0.715261119868412,0.7311441984785142,0.799429014460969
EOS-2-00376,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)ccn4)n23)cn1,VNYLFUDBYCCKTB-UHFFFAOYSA-N,2,1,0.5,18,503,449.877,4.001,5,0.389,0.75,1.0,0.5617418271537249,0.5562418614214242,0.7152696867932287,0.7392485093550819,0.6431254711808649
EOS-2-00377,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cn1,HOOBIKTZLUYZDI-UHFFFAOYSA-N,2,1,0.602,59,294,449.877,4.441,5,0.381,0.76,1.0,0.7683332191076692,0.7107634843396614,0.7533153999040504,0.7392570762798986,0.7429172949078199
EOS-2-00378,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)c1,RXZKEVRBLBLGBE-UHFFFAOYSA-N,2,1,0.535,84,184,449.877,4.001,5,0.389,0.73,1.0,0.7142245219655953,0.6961483106024261,0.7000034267699267,0.7178140634637791,0.7070475807004317
EOS-2-00379,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1F,JVEINTTZXVCNKD-UHFFFAOYSA-N,2,1,0.576,26,125,449.877,4.001,5,0.364,0.65,1.0,0.8964087451168529,0.8334332807895278,0.7648207799328353,0.7545576040024673,0.8123051024604208
EOS-2-00380,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1,AYZFIFPVXNZAIG-UHFFFAOYSA-N,2,1,0.554,84,749,449.877,4.001,5,0.389,0.71,1.0,0.6960455075046261,0.6524569940374203,0.670207662257556,0.6931584538414091,0.6779671544102528
EOS-2-00381,Cn1nc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1-c1cccnc1,FKXIFJCSUIRQHW-UHFFFAOYSA-N,2,1,0.535,95,752,449.877,4.001,5,0.389,0.76,1.0,0.47523302035501336,0.44312418614214244,0.6358200260434514,0.6845144267013913,0.5596729148104996
EOS-2-00382,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)n1,HCFQLBZDXWHAQB-UHFFFAOYSA-N,2,1,0.558,37,619,449.877,4.001,5,0.389,0.67,1.0,0.804931121924474,0.8106709615516414,0.7231341237749298,0.7256613665958468,0.766099393461723
EOS-2-00383,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)c1,HRWZDLZEXLBFAE-UHFFFAOYSA-N,2,1,0.557,91,70,449.877,4.001,5,0.389,0.71,1.0,0.6241861421424165,0.764855047632102,0.7283942156123638,0.762404907134535,0.7199600781303543
EOS-2-00384,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2F)n1,OPZAQTVNMIEFEB-UHFFFAOYSA-N,2,1,0.533,37,589,449.877,4.001,5,0.389,0.69,1.0,0.7564851620862175,0.8069871838804743,0.6758789664861902,0.6931670207662257,0.7331295833047768
EOS-2-00385,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)ccn2)c1,AKDLRFHZLMYJLQ-UHFFFAOYSA-N,2,1,0.627,75,276,449.877,4.001,5,0.389,0.64,1.0,0.7507538893838668,0.7604430813515181,0.7231426906997465,0.720521211705846,0.7387152182852443
EOS-2-00386,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,PYGBSAGLNPCLLE-UHFFFAOYSA-N,2,1,0.576,18,308,449.877,4.001,5,0.389,0.72,1.0,0.65024672743472,0.49690734014118293,0.7599719004866013,0.7495716537591666,0.6641744054554177
EOS-2-00387,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1,JRTPGZPWZBNVBX-UHFFFAOYSA-N,2,1,0.494,18,1,449.877,4.001,5,0.389,0.76,1.0,0.5843756425193612,0.4969159070659996,0.707576588307861,0.7256699335206634,0.6286345178534712
EOS-2-00388,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)c1,TTZMGLXPDLBJPC-UHFFFAOYSA-N,2,1,0.5,18,752,449.877,4.001,5,0.389,0.66,1.0,0.5256151052018367,0.47400795010622987,0.7257384689191968,0.7311527654033309,0.6141285724076485
EOS-2-00389,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)nn1C,SNKGRRNIDLVYQO-UHFFFAOYSA-N,2,1,0.633,59,294,449.877,4.267,5,0.398,0.75,1.0,0.6719381810705229,0.7431807278459325,0.710078130354328,0.6815674045644575,0.7016911109588102
EOS-2-00390,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,KJDOVSDIKBDFEB-UHFFFAOYSA-N,2,1,0.747,91,781,449.877,4.001,5,0.389,0.66,1.0,0.8179185799465424,0.865353642656432,0.7672366527311356,0.7722997052977864,0.8057021451579741
EOS-2-00391,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1,GNXVQHYBGJTBBL-UHFFFAOYSA-N,2,1,0.585,91,70,449.877,4.001,5,0.389,0.68,1.0,0.7478154341717497,0.862800699061065,0.7461363169076828,0.7700037694469193,0.7816890548968543
EOS-2-00392,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2Cl)cn1,CKXJMUZBROEJAC-UHFFFAOYSA-N,2,1,0.571,35,161,449.877,4.001,5,0.389,0.71,1.0,0.717428551847029,0.7776111986841203,0.7981889520937564,0.7888081694195052,0.7705092180111027
EOS-2-00393,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)cn1,LMIWTWGLAGZIJP-UHFFFAOYSA-N,2,1,0.595,35,626,449.877,4.001,5,0.364,0.69,1.0,0.815245699403742,0.8106795284764581,0.7894421218559385,0.7746556096223699,0.7975057398396271
EOS-2-00394,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,DFJMWSUREBWBIN-UHFFFAOYSA-N,2,1,0.628,2,884,449.877,4.267,5,0.398,0.76,1.0,0.5126276471797684,0.5562504283462408,0.80046775409499,0.7650263861284353,0.6585930539373587
EOS-2-00395,Clc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(Br)cc3)n12,IKUYOXMBQTVZSF-UHFFFAOYSA-N,2,1,0.738,23,17,450.123,5.44,4,0.416,0.81,1.0,0.9872781166472483,0.987826399835515,0.9616544445205949,0.9813755054485642,0.9795336166129806
EOS-2-00396,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1,WFRRZVJJAYUXDA-UHFFFAOYSA-N,2,1,0.602,91,803,449.877,4.001,5,0.389,0.65,1.0,0.7854670687410047,0.8437649921184291,0.7178483311630457,0.7495802206839832,0.7741651531766156
EOS-2-00397,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1,DPQKMZPNNFUDMX-UHFFFAOYSA-N,2,1,0.554,43,520,449.877,4.441,5,0.381,0.68,1.0,0.8586628743746145,0.8030378315399904,0.7000119936947433,0.7205297786306627,0.7705606195600027
EOS-2-00398,CCn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccn1,BFGNRCMOQYZYHJ-UHFFFAOYSA-N,2,1,0.506,16,577,449.877,4.441,5,0.381,0.62,1.0,0.6074035364265643,0.5656226440956754,0.6535449934891372,0.6666780892330889,0.6233123158111165
EOS-2-00399,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2)n1,ILMYIVFBYWUTAQ-UHFFFAOYSA-N,2,1,0.548,15,889,449.877,4.001,5,0.364,0.66,1.0,0.8332276745939278,0.830023644712494,0.7152782537180453,0.690014392433692,0.7671359913645398
EOS-2-00400,Cc1ncn(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)n1,ODPAVKXNHISHIY-UHFFFAOYSA-N,2,1,0.74,91,781,449.877,4.094,5,0.388,0.72,1.0,0.6562178740319375,0.6667894592557055,0.7207953532999795,0.7068055650743609,0.6876520629154959
EOS-2-00401,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)c(Cl)c4)n23)c1F,BXIPPVIRMKIEDU-UHFFFAOYSA-N,2,1,0.483,16,606,449.877,4.267,5,0.398,0.6,1.0,0.5675502021794256,0.6570317318895209,0.7694897539579193,0.7230227537523131,0.6792736104447947
EOS-2-00402,CCn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cn1,FFEJJNLSRJMSFM-UHFFFAOYSA-N,2,1,0.529,4,32,449.877,4.441,5,0.381,0.71,1.0,0.5487800699061065,0.7821002672880543,0.6122181481735316,0.6410886848057021,0.6460467925433486
EOS-2-00403,Cc1nn(C)cc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,WSMRNNSBUNZHCF-UHFFFAOYSA-N,2,1,0.549,4,32,449.877,4.267,5,0.398,0.74,1.0,0.6131176752792817,0.8145603454184086,0.5903467891165787,0.6085086697279145,0.6566333698855459
EOS-2-00404,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)c2)cn1,NBAJHWGDFFQTKS-UHFFFAOYSA-N,2,1,0.523,84,503,449.877,4.001,5,0.389,0.76,1.0,0.48263484339661433,0.5013878418203002,0.759980467411418,0.7598947981632513,0.6259744876978959
EOS-2-00405,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cn1,KKEFHAQSZNDLDY-UHFFFAOYSA-N,2,1,0.59,84,308,449.877,4.001,5,0.389,0.78,1.0,0.6131262422040984,0.49692447399081624,0.7810208347611541,0.765034953053252,0.6640266260023302
EOS-2-00406,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)n1,MELYPPQQGFZRDE-UHFFFAOYSA-N,2,1,0.588,37,669,449.877,4.001,5,0.364,0.7,1.0,0.8233500102803097,0.8300322116373107,0.7257470358440135,0.7152097183195121,0.7735847440202865
EOS-2-00407,Cn1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1cncc(F)c1,LIGJUMADBRPGJB-UHFFFAOYSA-N,2,1,0.6,95,998,449.877,4.001,5,0.389,0.75,1.0,0.49740422178054966,0.4564628880816942,0.6268161880611336,0.6985299157014598,0.5698033034062093
EOS-2-00408,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)c1,BOCNPJMBOVWFJZ-UHFFFAOYSA-N,2,1,0.478,18,1,449.877,4.001,5,0.389,0.68,1.0,0.5784987320951271,0.5330083613186211,0.7385802892193818,0.747010143238983,0.6492743814680283
EOS-2-00409,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1-c1ccc(F)nc1,PBJTZEQVTUWXTN-UHFFFAOYSA-N,2,1,0.551,95,493,449.877,4.001,5,0.364,0.78,1.0,0.5284421903913371,0.5193612500856692,0.6391868274964019,0.687332944966075,0.5935808032348708
EOS-2-00410,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cc2)n1,RXNUYGIAQQJMMQ-UHFFFAOYSA-N,2,1,0.528,72,889,449.877,4.001,5,0.364,0.63,1.0,0.817927146871359,0.8367229799191283,0.6479679254334864,0.635083270509218,0.7344253306832979
EOS-2-00411,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1,LCZIWBFCMTUARU-UHFFFAOYSA-N,2,1,0.543,43,520,449.877,4.441,5,0.381,0.68,1.0,0.8307689671715441,0.7906329244054554,0.6674662463162223,0.7068141319991775,0.7489205674730998
EOS-2-00412,Cn1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1ccc(F)nc1,VCNCSVDAYGLEPW-UHFFFAOYSA-N,2,1,0.593,95,54,449.877,4.001,5,0.364,0.75,1.0,0.5256236721266534,0.5193698170104859,0.6358285929682681,0.6900229593585087,0.592711260365979
EOS-2-00413,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1cccnc1,LXNGNVQKLQAEGZ-UHFFFAOYSA-N,2,1,0.614,95,381,449.877,4.001,5,0.389,0.81,1.0,0.5461157562881228,0.5013964087451168,0.6729062435748064,0.7039099444863272,0.6060820882735933
EOS-2-00414,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1-c1cccnc1,DEJQHEISDZNOCU-UHFFFAOYSA-N,2,1,0.495,95,998,449.877,4.001,5,0.389,0.74,1.0,0.4900023987389487,0.5014049756699335,0.647976492358303,0.7013398670413269,0.5851809334521281
EOS-2-00415,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cn1,IYUHADOJEPZFOM-UHFFFAOYSA-N,2,1,0.554,84,749,449.877,4.001,5,0.389,0.72,1.0,0.7206925502021794,0.7906414913302721,0.6729148104996231,0.6900315262833253,0.7185700945788499
EOS-2-00416,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)cn2)n1,DLSZNALCMQOPCG-UHFFFAOYSA-N,2,1,0.552,84,73,449.877,4.001,5,0.389,0.71,1.0,0.7236138715646632,0.7821088342128709,0.7025649372901104,0.6958227674593928,0.7260276026317594
EOS-2-00417,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)cc1,VUFXTKRITIHXCN-UHFFFAOYSA-N,2,1,0.612,91,475,449.877,4.001,5,0.389,0.65,1.0,0.7768573093002535,0.8472602974436296,0.7510879994517168,0.7650435199780686,0.7850622815434171
EOS-2-00418,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cn1,VLDAGTVGHFSMKH-UHFFFAOYSA-N,2,1,0.593,84,524,449.877,4.001,5,0.389,0.71,1.0,0.6990867658145432,0.7648636145569186,0.6921132890137757,0.6958313343842094,0.7129737509423617
EOS-2-00419,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)n1,YUNKGFGZLATXSJ-UHFFFAOYSA-N,2,1,0.538,84,672,449.877,4.001,5,0.389,0.71,1.0,0.7385117538208484,0.806995750805291,0.6946062641354259,0.7039185114111438,0.7360080700431773
EOS-2-00420,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)n1,NCOXHNAUILUSSG-UHFFFAOYSA-N,2,1,0.704,84,360,449.877,4.001,5,0.389,0.72,1.0,0.8332362415187444,0.8367315468439449,0.7178568980878623,0.7098125556850113,0.7744093105338907
EOS-2-00421,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cn2)n1,PXOANSNKZNTKQA-UHFFFAOYSA-N,2,1,0.56,84,672,449.877,4.001,5,0.389,0.72,1.0,0.7051692824343774,0.7986686998834899,0.697416215475293,0.7013484339661435,0.7256506579398259
EOS-2-00422,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cn2)n1,YCFRKTVQHWFCSG-UHFFFAOYSA-N,2,1,0.575,84,524,449.877,4.001,5,0.389,0.66,1.0,0.6562264409567542,0.7735162086217532,0.6837948050167911,0.6873415118908917,0.7002197416215477
EOS-2-00423,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)n1,MTSNYWUPYQRLCQ-UHFFFAOYSA-N,2,1,0.704,84,360,449.877,4.001,5,0.389,0.72,1.0,0.8357206497155781,0.8367401137687616,0.717865465012679,0.7068226989239943,0.7742872318552532
EOS-2-00424,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)cn1,PIUSBKUGQMIZOH-UHFFFAOYSA-N,2,1,0.558,37,563,449.877,4.001,5,0.389,0.67,1.0,0.7356075663079981,0.7906500582550887,0.7284027825371805,0.7282485778904805,0.7457272462476869
EOS-2-00425,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cc1,PNCSQWHATBNSGS-UHFFFAOYSA-N,2,1,0.561,43,520,449.877,4.441,5,0.381,0.7,1.0,0.8474916044136797,0.8030463984648071,0.6946148310602426,0.7230313206771297,0.7670460386539648
EOS-2-00426,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1,VOOXKKWNUPTHDU-UHFFFAOYSA-N,2,1,0.632,43,96,449.873,5.435,5,0.356,0.8,1.0,0.8929134397916524,0.8795747378521006,0.8611301487218148,0.8352237680762113,0.8672105236104448
EOS-2-00427,Cc1ccc(-c2nnc3cncc(OCc4c(-c5ccc(Cl)c(F)c5)noc4C)n23)cc1,LTSXHBPDAKEMAB-UHFFFAOYSA-N,2,1,0.588,43,230,449.873,5.435,5,0.356,0.77,1.0,0.8761308340758002,0.8685148379137825,0.8061733260228908,0.8042971694880405,0.8387790418751285
EOS-2-00428,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1nc[nH]n1,BUTHYBOQHWOWGC-UHFFFAOYSA-N,2,1,0.459,15,482,449.862,2.65,5,0.398,0.63,1.0,0.6960540744294428,0.6375505448564184,0.19961791515317662,0.17754094990062366,0.4276908710849154
EOS-2-00429,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)ccc1-c1ncnn1C,HOMYOTKKIGQRDY-UHFFFAOYSA-N,2,1,0.484,36,248,449.862,2.618,5,0.36,0.66,1.0,0.4676684257418957,0.4917757521759989,0.2068055650743609,0.1434188883558358,0.32741715783702285
EOS-2-00430,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccnn1C,XOOKCFXJJGODHJ-UHFFFAOYSA-N,2,1,0.376,51,924,449.862,2.618,5,0.385,0.56,0.998,0.3925964635734357,0.33028065245699406,0.1217274347200329,0.0890446165444452,0.23341229182372694
EOS-2-00431,Cn1nc(CO)cc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cn1,RCVIDDVEPUFJBJ-UHFFFAOYSA-N,2,1,0.421,7,94,449.862,2.102,5,0.414,0.64,1.0,0.41887122198615584,0.46091768898636143,0.18936330614762525,0.17220375573983962,0.31033899321499553
EOS-2-00432,COc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nn2C)cn1,YICQIBAGKUAWAR-UHFFFAOYSA-N,2,1,0.394,92,694,449.862,2.618,5,0.36,0.66,1.0,0.337528270851895,0.25448906860393394,0.2068141319991776,0.15887362072510453,0.23942627304502778
EOS-2-00433,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nncn1C,NAOWOGXZPXGBSF-UHFFFAOYSA-N,2,1,0.463,36,224,449.862,2.618,5,0.385,0.68,1.0,0.47524158727983,0.46092625591117814,0.20682269892399424,0.1722123226646563,0.3288007161949147
EOS-2-00434,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nc[nH]n1,YWEOVEQQNCGIQI-UHFFFAOYSA-N,2,1,0.41,49,551,449.862,2.65,5,0.398,0.6,0.797,0.632478925364951,0.5516842574189569,0.15711740113768763,0.14833630320060312,0.37240422178054966
EOS-2-00435,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cn1,RCLQTLNUCSCXRV-UHFFFAOYSA-N,2,1,0.394,51,468,449.862,2.064,5,0.396,0.62,1.0,0.41203481598245495,0.34990747721198,0.1479165238845864,0.15341648961688711,0.2658188266739771
EOS-2-00436,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncn(C)n1,CTPFWTNYTMZCEX-UHFFFAOYSA-N,2,1,0.463,36,224,449.862,2.618,5,0.385,0.63,1.0,0.46532965526694536,0.514829346857652,0.19962648207799327,0.15095778219450345,0.33268581659927354
EOS-2-00437,NCc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)no1,GSOLNEJWXCSMHR-UHFFFAOYSA-N,2,1,0.5,75,359,449.862,2.365,5,0.393,0.6,0.994,0.42131279555890616,0.3161537934343088,0.0655198409978754,0.10957096840518128,0.22813934959906795
EOS-2-00438,COc1nc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4cnnn4C)c3)n12,YGUKJSCPIACPEX-UHFFFAOYSA-N,2,1,0.436,92,256,449.862,2.618,5,0.36,0.66,1.0,0.3968799259817696,0.45202522102666026,0.23503358234528135,0.19136796655472552,0.3188266739771092
EOS-2-00439,COc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)n[nH]1,WJYSPPAGNJSLMW-UHFFFAOYSA-N,2,1,0.484,65,349,449.862,2.65,5,0.372,0.59,1.0,0.5357497772599548,0.4825577410732643,0.20683126584881092,0.1805393735864574,0.35141953944212184
EOS-2-00440,Cc1nccc(COc2cncc3nnc(-c4cc(-c5nc(CO)c[nH]5)ncn4)n23)c1Cl,SCBWREYNZAPSJK-UHFFFAOYSA-N,2,1,0.346,31,599,449.862,2.4,5,0.399,0.56,0.13,0.465338222191762,0.41192344595983826,0.2601432389829347,0.24363477486121582,0.3452599204989377
EOS-2-00441,COc1cc(-c2nnc3cncc(OCc4ncc(-c5cn(C)nn5)cn4)n23)ccc1Cl,DIGWLWFTYVUCKR-UHFFFAOYSA-N,2,1,0.456,51,946,449.862,2.618,5,0.385,0.65,1.0,0.4536786375162772,0.6232180796381331,0.267330888904119,0.22578987046809676,0.39250436913165654
EOS-2-00442,CCN=c1[nH]nc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)o1,CUCQHFKYYXOBCW-UHFFFAOYSA-N,2,1,0.363,46,62,449.862,2.717,5,0.418,0.45,0.933,0.3302977863066274,0.19037420327599205,0.14792509080940305,0.13874134740593516,0.2018346069494894
EOS-2-00443,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1cnnn1C,DQGNCJZWWWLJLO-UHFFFAOYSA-N,2,1,0.439,92,638,449.862,2.618,5,0.385,0.66,1.0,0.3745202522102666,0.42099581934068947,0.27857069426358716,0.21725721335069564,0.3228359947913097
EOS-2-00444,COc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncnc3-c3ncnn3C)n12,RNWKKBCKZPMDMO-UHFFFAOYSA-N,2,1,0.462,36,45,449.862,2.618,5,0.385,0.68,1.0,0.4752501542046467,0.5750548283188267,0.16367966554725516,0.16940237132478925,0.34584675484887945
EOS-2-00445,Cn1nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)nc1CO,CHFDULFKLGSWCJ-UHFFFAOYSA-N,2,1,0.511,92,36,449.862,2.102,5,0.414,0.66,1.0,0.3790949900623672,0.4389349599067919,0.10222911383729696,0.13212768144746762,0.2630966863134809
EOS-2-00446,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1O,WMAZDSQOGHFKEA-UHFFFAOYSA-N,2,1,0.454,36,482,449.862,2.357,5,0.415,0.55,1.0,0.517639298197519,0.5611078747172915,0.17651291892262352,0.19673086148995955,0.36299773833184834
EOS-2-00447,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nncn1C,BHLWFTOJZUFTPA-UHFFFAOYSA-N,2,1,0.447,36,375,449.862,2.618,5,0.385,0.71,1.0,0.44661949146734287,0.43465149749845794,0.21032657117401138,0.17222088958947296,0.3159546124323213
EOS-2-00448,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)cn1,BFMFLPRPZJRTTJ-UHFFFAOYSA-N,2,1,0.374,92,468,449.862,2.064,5,0.371,0.7,1.0,0.3720701117126996,0.3595195668562813,0.14793365773421974,0.15611507093413748,0.25890960180933453
EOS-2-00449,COc1nc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)ccc1-c1cnccn1,HCVUFAAMFQVPPT-UHFFFAOYSA-N,2,1,0.379,7,94,449.862,2.618,5,0.385,0.58,1.0,0.32508052909327667,0.34991604413679667,0.13583715989308479,0.10311150709341375,0.22848631005414297
EOS-2-00450,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ccnn1C,LLUDRAMAADSTMQ-UHFFFAOYSA-N,2,1,0.381,7,94,449.862,2.618,5,0.385,0.63,1.0,0.3470461243232129,0.3302892193818107,0.1511291206908368,0.11196114042903159,0.235106401206223
EOS-2-00451,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ncnn1C,MALDEZRIHYYQIN-UHFFFAOYSA-N,2,1,0.456,36,248,449.862,2.618,5,0.385,0.68,1.0,0.4441522171201426,0.4609348228359948,0.20315605510246043,0.15888218764992118,0.3167813206771297
EOS-2-00452,COc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2C)n1,VYUYGCDGDUFEOV-UHFFFAOYSA-N,2,1,0.446,7,694,449.862,2.618,5,0.385,0.64,0.983,0.330306353231444,0.3109965046946748,0.15396477280515386,0.13874991433075184,0.23350438626550613
EOS-2-00453,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1ncnn1C,ZHQHIRRBUVAZJB-UHFFFAOYSA-N,2,1,0.443,7,248,449.862,2.618,5,0.385,0.68,1.0,0.42838050853265713,0.4431327530669591,0.21699163868137894,0.16161503666643823,0.3125299842368583
EOS-2-00454,COc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4nnnn4C)cn3)n12,MENAMCOBTUNFLD-UHFFFAOYSA-N,2,1,0.506,36,728,449.862,2.618,5,0.385,0.73,1.0,0.4258961003358235,0.6044222465903639,0.20683983277362758,0.21164587759577821,0.3622010143238983
EOS-2-00455,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncnn1C,FBVSGMNIBIYPBH-UHFFFAOYSA-N,2,1,0.455,51,196,449.862,2.618,5,0.385,0.65,1.0,0.5384140908779385,0.46094338976081145,0.16668665615790557,0.1321362483722843,0.324545096292235
EOS-2-00456,Cn1nc(-c2ncc(Cl)cn2)nc1COc1cncc2nnc(-c3ccc(CO)cc3)n12,ILTWNZDURVLDOA-UHFFFAOYSA-N,2,1,0.523,36,82,449.862,2.102,5,0.414,0.67,0.999,0.607412103351381,0.6190031526283325,0.06552840792269207,0.09892228085806319,0.3477164861901172
EOS-2-00457,COc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1ncnn1C,CIRDTBWVFLEPJG-UHFFFAOYSA-N,2,1,0.43,36,718,449.862,2.618,5,0.36,0.66,1.0,0.5001542046467,0.49178431910081555,0.16669522308272222,0.13214481529710095,0.32269464053183466
EOS-2-00458,COc1cc(-c2nnc3cncc(OCc4nc(-c5ncccn5)nn4C)n23)ccc1Cl,OQPAILUYVHAGAQ-UHFFFAOYSA-N,2,1,0.461,36,67,449.862,2.618,5,0.385,0.63,1.0,0.5409327667740388,0.652465560962237,0.06361798368857514,0.07669111095881022,0.33342685559591523
EOS-2-00459,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cnnn1C,DBEQHSZVTIZFGP-UHFFFAOYSA-N,2,1,0.452,92,638,449.862,2.618,5,0.385,0.66,1.0,0.36521657185936535,0.4346600644232746,0.2634586388869851,0.21467000205606196,0.3195013193064217
EOS-2-00460,COc1cc(COc2cncc3nnc(-c4ccc(-c5nnn(C)n5)cc4Cl)n23)ccn1,NTZJGQBNLYHKBZ-UHFFFAOYSA-N,2,1,0.489,36,258,449.862,2.618,5,0.385,0.7,1.0,0.48264341032143104,0.5856007127681447,0.24940031526283327,0.20565759714892742,0.3808255088753341
EOS-2-00461,CNCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)o1,ZYTUBWCVDALHSH-UHFFFAOYSA-N,2,1,0.356,46,395,449.862,2.583,5,0.37,0.67,1.0,0.39688849290658623,0.20885306010554452,0.19963504900280996,0.17754951682544035,0.24573152971009526
EOS-2-00462,OCCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)c2)cn1,IFHJMBWXLYHQJV-UHFFFAOYSA-N,2,1,0.384,92,711,449.862,2.064,5,0.371,0.69,1.0,0.25639949283805086,0.2137019395517785,0.1893718730724419,0.17482523473373998,0.2085746350490028
EOS-2-00463,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5n[nH]c(=O)n5C)cc4Cl)n23)nn1,SCOPXTKGLLXWCQ-UHFFFAOYSA-N,2,1,0.483,36,208,449.862,2.211,5,0.432,0.62,1.0,0.39901309026111986,0.5014135425947502,0.11876327873346583,0.14342745528065245,0.2906543417174971
EOS-2-00464,COc1ccc(-c2nc(COc3cncc4nnc(-c5cccc(Cl)c5)n34)n(C)n2)nn1,WRRVIUWOFCKURZ-UHFFFAOYSA-N,2,1,0.495,36,404,449.862,2.618,5,0.385,0.71,0.912,0.45368720444109384,0.5750633952436434,0.054057295593173876,0.0747806867246933,0.28939714550065115
EOS-2-00465,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cn(C)nn5)cn4)n23)ccc1Cl,ZQOMKIXRIRGIQZ-UHFFFAOYSA-N,2,1,0.467,92,212,449.862,2.618,5,0.385,0.64,1.0,0.4283890754574738,0.5904067575902954,0.26733945582893565,0.2347765746007813,0.3802279658693715
EOS-2-00466,CCOc1nc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)ccc1-c1cnnn1C,LFGOBHVYWMMPKQ-UHFFFAOYSA-N,2,1,0.351,31,773,449.862,3.221,5,0.36,0.59,0.983,0.35603282845589745,0.39266499897196905,0.1765214858474402,0.15889075457473786,0.27102751696251115
EOS-2-00467,OCCn1cncc1-c1cnc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)nc1,WTTPDLPZRNWIBR-UHFFFAOYSA-N,2,1,0.378,7,346,449.862,2.064,5,0.396,0.74,0.914,0.4142193818107052,0.22411075320402987,0.2031646220272771,0.22913953807141388,0.2676585737783565
EOS-2-00468,COc1cc(-c2nnc3cncc(OCc4ncc(-c5ccn(C)n5)nn4)n23)ccc1Cl,VFJYEKSQMRPRGC-UHFFFAOYSA-N,2,1,0.461,36,404,449.862,2.618,5,0.385,0.6,1.0,0.5231221300801864,0.647333972997053,0.20317318895209377,0.18867795216229183,0.39057681104790626
EOS-2-00469,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cnnn1C,IBYZSAHDWBDQON-UHFFFAOYSA-N,2,1,0.454,36,638,449.862,2.618,5,0.385,0.64,1.0,0.4142279487355219,0.4564714550065109,0.26015180590775133,0.2116544445205949,0.3356264135425947
EOS-2-00470,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nc(C)n[nH]1,JOBMHFILWVMAGJ-UHFFFAOYSA-N,2,1,0.455,36,224,449.862,2.916,5,0.415,0.58,1.0,0.5461243232129395,0.5421749708724556,0.23151257624563087,0.177558083750257,0.37434248852032076
EOS-2-00471,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1nnnn1C,BKFRQUNYIMASGZ-UHFFFAOYSA-N,2,1,0.505,36,895,449.862,2.618,5,0.36,0.78,1.0,0.523130697005003,0.469647385374546,0.25632239051470085,0.23190665478719757,0.37025178192036184
EOS-2-00472,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nnco1,RZBBEUNUDCADNI-UHFFFAOYSA-N,2,1,0.531,72,729,449.858,3.52,5,0.344,0.68,1.0,0.8498475087382633,0.6473425399218696,0.4827547803440477,0.4017630731272702,0.5954269755328627
EOS-2-00473,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cocn1,LVULVYZLBSKDJT-UHFFFAOYSA-N,2,1,0.505,72,777,449.858,3.52,5,0.368,0.68,1.0,0.7825885820026044,0.6961568775272429,0.3633232814748818,0.3160509903365088,0.5395299328353095
EOS-2-00474,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncon1,CXJCWJWWCWRZFO-UHFFFAOYSA-N,2,1,0.538,35,604,449.858,3.52,5,0.368,0.67,1.0,0.8101483791378247,0.6667980261805222,0.4442721540675759,0.3896665752861353,0.5777212836680145
EOS-2-00475,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)o1,FNNZXXYZKMDJHG-UHFFFAOYSA-N,2,1,0.56,72,889,449.858,3.52,5,0.344,0.71,1.0,0.867623877732849,0.8223819477760264,0.34430470838187927,0.2879771777122884,0.5805719279007607
EOS-2-00476,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncco1,XAKRHGVGUXZSSZ-UHFFFAOYSA-N,2,1,0.451,49,501,449.858,3.52,5,0.344,0.56,1.0,0.6595247070111713,0.46517545062024535,0.2634672058118018,0.2172657802755123,0.40135828592968265
EOS-2-00477,COc1cc(-c2nnc3cncc(OCc4ccc(-c5noc(C)n5)nc4)n23)ccc1Cl,HPSORSZJYWZUQH-UHFFFAOYSA-N,2,1,0.534,16,67,449.858,3.786,5,0.382,0.7,1.0,0.7082790761428278,0.7154324583647453,0.40064080597628676,0.3317027619765609,0.5390137756151052
EOS-2-00478,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ncoc5C)nn4)n23)ccc1Cl,AQJQKYHOCBTIJD-UHFFFAOYSA-N,2,1,0.484,4,67,449.858,3.786,5,0.382,0.67,0.997,0.613134809128915,0.7520217942567337,0.3594510314577479,0.30991707216777464,0.5086311767527929
EOS-2-00479,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cocn1,RZMJYJGNQAALMR-UHFFFAOYSA-N,2,1,0.489,20,777,449.858,3.52,5,0.368,0.68,1.0,0.7683417860324858,0.6524741278870536,0.3668785552737989,0.31605955726132545,0.5259385066136659
EOS-2-00480,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncco1,VTNMGNWJZLKKED-UHFFFAOYSA-N,2,1,0.436,49,501,449.858,3.52,5,0.368,0.59,0.997,0.6502552943595367,0.45648002193132753,0.26016037283256804,0.22914810499623056,0.3990109485299157
EOS-2-00481,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncon1,HAUXLXQTPNLXBM-UHFFFAOYSA-N,2,1,0.553,15,604,449.858,3.52,5,0.344,0.67,1.0,0.8332448084435611,0.666806593105339,0.44779316016722637,0.3736721266534165,0.5803791720923858
EOS-2-00482,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncco1,GWERKDVPYIQOEM-UHFFFAOYSA-N,2,1,0.446,49,501,449.858,3.52,5,0.344,0.63,1.0,0.6688369542868892,0.465184017545062,0.27491261736687,0.22579843739291344,0.4086830066479336
EOS-2-00483,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1nc(C)no1,AAQGRIJISLAXIU-UHFFFAOYSA-N,2,1,0.517,4,248,449.858,3.786,5,0.382,0.68,1.0,0.6101363854430814,0.5611164416421082,0.3786152422726338,0.3002450140497567,0.4625282708518951
EOS-2-00484,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncno1,BXBXMSUXXLSJJA-UHFFFAOYSA-N,2,1,0.533,15,771,449.858,3.52,5,0.368,0.66,1.0,0.762610513330135,0.6140943047083819,0.4145020903296553,0.3508070043177301,0.5355034781714756
EOS-2-00485,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cocn1,NEYOPCFDYKYVEJ-UHFFFAOYSA-N,2,1,0.484,49,501,449.858,3.52,5,0.368,0.56,0.955,0.6562350078815709,0.5193783839353026,0.2634757727366185,0.23191522171201426,0.4177510965663765
EOS-2-00486,OCc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)n1,LBFSAUXFQOUEGM-UHFFFAOYSA-N,2,1,0.548,15,626,449.858,3.004,5,0.373,0.73,1.0,0.705177849359194,0.6326930984853677,0.3260143238982935,0.33171132890137756,0.4988991501610582
EOS-2-00487,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncon1,WXQZANFJOUNQJO-UHFFFAOYSA-N,2,1,0.516,15,604,449.858,3.52,5,0.344,0.67,1.0,0.8307775340963608,0.6619919813583716,0.3558357891851141,0.3099256390925913,0.5396327359331095
EOS-2-00488,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ncon1,DGAIUVFKUMMNGA-UHFFFAOYSA-N,2,1,0.551,15,467,449.858,3.52,5,0.368,0.64,1.0,0.8405266945377288,0.6863391816873415,0.3932218490850524,0.35081557124254675,0.5677258241381674
EOS-2-00489,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncon1,YMJUAPLVZLPHGZ-UHFFFAOYSA-N,2,1,0.557,15,467,449.858,3.52,5,0.368,0.66,1.0,0.8382564594613118,0.6863477486121582,0.3895295044890686,0.3347611541361113,0.5622237166746624
EOS-2-00490,COc1cc(-c2nnc3cncc(-c4cc(-c5nc(C)no5)cnc4OC)n23)ccc1Cl,AQHQBAJHKOHYHP-UHFFFAOYSA-N,2,1,0.344,82,478,449.858,3.882,5,0.394,0.72,1.0,0.5307124254677541,0.49693304091563295,0.3858628606675348,0.2879857446371051,0.4253735179220067
EOS-2-00491,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1nnc(C)o1,MIQYBMVWSNSGTP-UHFFFAOYSA-N,2,1,0.489,72,224,449.858,3.786,5,0.357,0.77,1.0,0.5872369954081283,0.5377373038174217,0.35204920841614695,0.2792988828730039,0.43908059762867524
EOS-2-00492,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1noc(C)n1,NFGGYJHEWUMMRM-UHFFFAOYSA-N,2,1,0.467,16,248,449.858,3.786,5,0.357,0.72,1.0,0.6658213967514222,0.6327016654101844,0.4221095195668563,0.3282160235761771,0.5122121513261599
EOS-2-00493,OCc1noc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)n1,AQDRSHIBQAFICF-UHFFFAOYSA-N,2,1,0.474,15,561,449.858,3.004,5,0.373,0.71,1.0,0.587245562332945,0.5330169282434377,0.2170002056061956,0.24923754369131657,0.3966250599684737
EOS-2-00494,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cnco1,ZBCUNFPECYNVIV-UHFFFAOYSA-N,2,1,0.505,15,103,449.858,3.52,5,0.368,0.64,1.0,0.7478240010965663,0.6190117195531492,0.38587142759235143,0.33476972106092795,0.5218692173257486
EOS-2-00495,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1noc(C)n1,CYMLQBFQWXIYIH-UHFFFAOYSA-N,2,1,0.489,16,375,449.858,3.786,5,0.382,0.73,1.0,0.7142330888904119,0.5997447056404633,0.407828455897471,0.3317198958261942,0.5133815365636352
EOS-2-00496,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncno1,XAXCIAGAPAMHJF-UHFFFAOYSA-N,2,1,0.495,15,771,449.858,3.52,5,0.344,0.7,1.0,0.7236224384894798,0.6141028716331985,0.38219621684600097,0.32503769446919334,0.5112398053594682
EOS-2-00497,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncno1,BWSTUWUZVYDNNR-UHFFFAOYSA-N,2,1,0.515,35,619,449.858,3.52,5,0.368,0.65,1.0,0.7174371187718457,0.5950671646905626,0.472405935165513,0.4045644575423206,0.5473686690425605
EOS-2-00498,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncno1,NLVHNNZPFPZYLX-UHFFFAOYSA-N,2,1,0.522,15,729,449.858,3.52,5,0.344,0.69,1.0,0.7626190802549517,0.59975327256528,0.48968542252073194,0.4045730244671373,0.5641576999520252
EOS-2-00499,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncno1,UHFQEFVZRGGMBU-UHFFFAOYSA-N,2,1,0.528,15,669,449.858,3.52,5,0.344,0.66,1.0,0.7298334589815639,0.5997618394900966,0.4756185319717634,0.38967514221095195,0.548722243163594
EOS-2-00500,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1nnco1,DPJWTARVKMYMAH-UHFFFAOYSA-N,2,1,0.5,72,925,449.858,3.52,5,0.344,0.67,1.0,0.7683503529573025,0.632710232335001,0.3786238091974505,0.3220221369337263,0.5254266328558701
EOS-2-00501,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncon1,NCVIJYHQLOHFJJ-UHFFFAOYSA-N,2,1,0.547,35,604,449.858,3.52,5,0.344,0.7,1.0,0.8633232814748818,0.6716469056267562,0.46190288534027824,0.3860427660886848,0.5957289596326503
EOS-2-00502,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1nc(C)no1,QTQLTCBKKVLCGZ-UHFFFAOYSA-N,2,1,0.462,16,248,449.858,3.786,5,0.357,0.71,1.0,0.6960626413542594,0.590415324515112,0.44057124254677543,0.3380337194160784,0.5162707319580563
EOS-2-00503,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncco1,FXVDSOPJRDPGID-UHFFFAOYSA-N,2,1,0.458,49,769,449.858,3.52,5,0.344,0.62,0.996,0.6016551298745803,0.4520337879514769,0.1893804399972586,0.16399664176547188,0.3517664998971969
EOS-2-00504,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncco1,BZSCHUPELDASAK-UHFFFAOYSA-N,2,1,0.484,49,501,449.858,3.52,5,0.368,0.6,0.955,0.6385871427592351,0.4651925844698787,0.21365053800287848,0.18581659927352479,0.37581171612637926
EOS-2-00505,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1noc(C)n1,MWPZHZPKXGQEKD-UHFFFAOYSA-N,2,1,0.54,4,248,449.858,3.786,5,0.382,0.7,1.0,0.5561219244739908,0.5904238914399287,0.3668871221986156,0.3033890754574738,0.4542055033925022
EOS-2-00506,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ccon1,TWTYBIZIBMJHLA-UHFFFAOYSA-N,2,1,0.505,72,777,449.858,3.52,5,0.368,0.69,1.0,0.7626276471797684,0.6813960660681242,0.35584435610993076,0.31606812418614216,0.5289840483859913
EOS-2-00507,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1nnco1,JLFDCTVWZKKEJP-UHFFFAOYSA-N,2,1,0.538,72,925,449.858,3.52,5,0.368,0.67,1.0,0.8101569460626413,0.6570402988143376,0.41088684805702147,0.35082413816736346,0.557227057775341
EOS-2-00508,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nnco1,CHFVRWAXLMXCHD-UHFFFAOYSA-N,2,1,0.534,72,925,449.858,3.52,5,0.344,0.7,1.0,0.8307861010211774,0.6524826948118704,0.47241450209032965,0.3896837091357686,0.5863417517647865
EOS-2-00509,COc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)n2)cn1,YDVVSNABXDUBCZ-UHFFFAOYSA-N,2,1,0.467,16,677,449.858,3.786,5,0.382,0.78,1.0,0.5731015694606264,0.6961654444520595,0.3405438283873621,0.2940168597080392,0.4759569255020218
EOS-2-00510,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cocn1,KSDKVOJNQJCCFI-UHFFFAOYSA-N,2,1,0.446,49,501,449.858,3.52,5,0.344,0.59,1.0,0.7019224179288602,0.5239616887122198,0.3296467000205606,0.2793074497978206,0.4587095641148653
EOS-2-00511,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccon1,FDQPEPPEEQUNLT-UHFFFAOYSA-N,2,1,0.451,49,501,449.858,3.52,5,0.344,0.5,1.0,0.6241947090672332,0.49179288602563226,0.31118497704064146,0.26758789664861904,0.4236901171955315
EOS-2-00512,O=c1[nH]c(O)c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)o1,OUXMKJWEYQPILL-UHFFFAOYSA-N,2,1,0.743,91,660,449.854,3.72,5,0.405,0.54,1.0,0.8382650263861284,0.822390514700843,0.6702162291823727,0.6496556096223699,0.7451318449729285
EOS-2-00513,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)c(Cl)c5)n34)nc2)cn1,AHYHPSMMNUOXGK-UHFFFAOYSA-N,2,1,0.329,96,274,449.852,5.21,5,0.374,0.71,1.0,0.29453087519703924,0.5059197450483175,0.9231889520937564,0.9054125830991707,0.6572630388595709
EOS-2-00514,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1,CUOWGLHZWOHYDL-UHFFFAOYSA-N,2,1,0.649,57,798,449.848,5.364,5,0.361,0.76,1.0,0.9814012062230142,0.977691727777397,0.9564114865327942,0.9661949146734288,0.9704248338016586
EOS-2-00515,Fc1ccc(-c2ncc(F)cc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,AAFBJFAKAGZDAB-UHFFFAOYSA-N,2,1,0.671,57,798,449.848,5.364,5,0.361,0.79,1.0,0.9910732643410322,0.9878349667603317,0.9476560893701597,0.9641474196422453,0.9726779350284422
EOS-2-00516,Fc1ccccc1-c1c(F)cncc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,LCIFMLWKNNBQOC-UHFFFAOYSA-N,2,1,0.64,57,798,449.848,5.364,5,0.361,0.71,1.0,0.9796192858611473,0.9837656774724145,0.9595555479405112,0.9711465972174628,0.9735217771228839
EOS-2-00517,Fc1cnc(-c2ccccc2)c(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,GUZHWVWTWSHFBG-UHFFFAOYSA-N,2,1,0.56,57,709,449.848,5.364,5,0.361,0.79,1.0,0.9647385374545953,0.9751473511068467,0.9322613254746076,0.95038037146186,0.9556318963744774
EOS-2-00518,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,LVKKRJCFAXTOEJ-UHFFFAOYSA-N,2,1,0.562,57,798,449.848,5.364,5,0.361,0.83,1.0,0.9538671098622439,0.9772291138372969,0.9470392707833596,0.9616801452950449,0.9599539099444863
EOS-2-00519,Fc1cccc(-c2ncc(F)cc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,CDCGUJLJCCGZBA-UHFFFAOYSA-N,2,1,0.628,57,798,449.848,5.364,5,0.361,0.77,1.0,0.9893855801521486,0.9866612980604482,0.944709067233226,0.9616887122198615,0.970611164416421
EOS-2-00520,FC(F)Oc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ccc1Cl,ZUDGBYNGSCGQJC-UHFFFAOYSA-N,2,1,0.33,30,737,449.848,5.775,5,0.34,0.86,1.0,0.5100918374340346,0.7604516482763347,0.9706068809540127,0.9756527996710301,0.8042007915838529
EOS-2-00521,Fc1cnc(-c2ccccc2)c(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)c1,WPCMGRBTCCALAN-UHFFFAOYSA-N,2,1,0.519,57,671,449.848,5.364,5,0.361,0.75,1.0,0.9340775135357412,0.9258961003358235,0.9182715372489891,0.9421732574874923,0.9301046021520115
EOS-2-00522,Fc1cccc(-c2cnccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,WQTJNQPQGVHGIQ-UHFFFAOYSA-N,2,1,0.653,57,798,449.848,5.364,5,0.361,0.78,1.0,0.9897453909944486,0.987260982797615,0.9713093687889796,0.9772976492358303,0.9814033479542184
EOS-2-00523,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4c(F)cccc4Cl)n23)cc1,ZVTYDNCNSBSYNR-UHFFFAOYSA-N,2,1,0.562,57,671,449.848,5.364,5,0.361,0.78,1.0,0.902902474127887,0.9384209444177918,0.9364334178603249,0.9556404632992941,0.9333493249263245
EOS-2-00524,Fc1ccc(-c2ncc(Cl)cc2COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,ORLOLILQBYINCD-UHFFFAOYSA-N,2,1,0.671,57,798,449.848,5.364,5,0.361,0.76,1.0,0.990148036460832,0.9790538688232472,0.9476646562949763,0.9635991364539784,0.9701164245082585
EOS-2-00525,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)c1,RDSOGXVLFREYSA-UHFFFAOYSA-N,2,1,0.575,57,798,449.848,5.364,5,0.361,0.73,1.0,0.9817267493660475,0.9662463162223288,0.9649955451990954,0.9706839832773627,0.9709131485162086
EOS-2-00526,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,LJVSGHWYKHPSHD-UHFFFAOYSA-N,2,1,0.671,57,798,449.848,5.364,5,0.361,0.76,1.0,0.9875351243917483,0.9893084778287986,0.9575594544582277,0.9666232609142622,0.9752565793982593
EOS-2-00527,Fc1ccccc1-c1cccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)n1,ZHMYMDOUTPFCJH-UHFFFAOYSA-N,2,1,0.531,57,671,449.848,5.364,5,0.361,0.74,1.0,0.7882513193064218,0.8820420121993009,0.9248852032074566,0.9469536015351929,0.885533034062093
EOS-2-00528,Fc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5)c4)n23)c1,BQCZNHFVQFPCFZ-UHFFFAOYSA-N,2,1,0.595,57,798,449.848,5.364,5,0.361,0.74,1.0,0.9611746967308615,0.9585189500376945,0.9663405523953121,0.9747961071893633,0.9652075765883078
EOS-2-00529,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c1,SWXJDKPADCMCRX-UHFFFAOYSA-N,2,1,0.536,57,962,449.848,5.364,5,0.338,0.75,1.0,0.9106983757110547,0.9185885134672058,0.969981495442396,0.9752073195805634,0.9436189260503051
EOS-2-00530,Fc1cccc(F)c1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)nc4)c3)n12,ZNBSXAVKZGUVKF-UHFFFAOYSA-N,2,1,0.524,57,962,449.848,5.364,5,0.338,0.77,1.0,0.912240422178055,0.9168494277294222,0.9663491193201289,0.971917620450963,0.9418391474196423
EOS-2-00531,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1F,XRFUYYVMPLGIBS-UHFFFAOYSA-N,2,1,0.561,57,80,449.848,5.364,5,0.338,0.75,1.0,0.9340860804605579,0.9384295113426084,0.9713179357137962,0.9756613665958468,0.9548737235282023
EOS-2-00532,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)cn1,KBKKXFLOWIWOMA-UHFFFAOYSA-N,2,1,0.524,57,962,449.848,5.364,5,0.338,0.79,1.0,0.9012404907134535,0.9259046672606401,0.9663576862449456,0.9726972106092797,0.9415500137070798
EOS-2-00533,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c1F,MLMRHKCLMRHZRU-UHFFFAOYSA-N,2,1,0.536,57,962,449.848,5.364,5,0.338,0.77,1.0,0.9205760400246727,0.9259132341854568,0.9709152902474127,0.9744020286477966,0.9479516482763347
EOS-2-00534,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cc1F,QUAMQPXCRHKBSM-UHFFFAOYSA-N,2,1,0.566,57,80,449.848,5.364,5,0.338,0.77,1.0,0.7593636488246179,0.890009252278802,0.9569769035706943,0.9651925844698787,0.8928855972859983
EOS-2-00535,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cc1F,VPCBIBMXCGKEGA-UHFFFAOYSA-N,2,1,0.625,57,80,449.848,5.364,5,0.361,0.7,1.0,0.7738931533136865,0.897565279967103,0.9632564594613118,0.9719261873757796,0.9016602700294702
EOS-2-00536,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cc1F,XXNGNYNGKFCLSV-UHFFFAOYSA-N,2,1,0.62,57,80,449.848,5.364,5,0.361,0.73,1.0,0.8024467137276403,0.9108268795833048,0.962733877047495,0.9697330546227126,0.9114351312452882
EOS-2-00537,Cc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccccc1F,UZXSUAUFXPTCQX-UHFFFAOYSA-N,2,1,0.416,57,616,449.848,5.886,5,0.342,0.79,1.0,0.7385203207456651,0.8183983277362757,0.9421561236378589,0.9536529367418272,0.8631819272154068
EOS-2-00538,Cc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccc(F)cc1,ORZQBLFLJVBANF-UHFFFAOYSA-N,2,1,0.437,57,236,449.848,5.886,5,0.342,0.72,1.0,0.7768658762250702,0.8403553560413953,0.9465680899184429,0.9568826673977109,0.8801679973956549
EOS-2-00539,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1-c1ccccn1,UEZQGOFREXCSBQ-UHFFFAOYSA-N,2,1,0.561,57,146,449.848,5.364,5,0.361,0.78,1.0,0.9716863134809129,0.9781886094167638,0.9600866972791446,0.9676684257418957,0.9694075114796793
EOS-2-00540,Fc1ccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)cc1-c1ccccn1,AEUKZFZDKMDXPV-UHFFFAOYSA-N,2,1,0.531,57,671,449.848,5.364,5,0.361,0.73,1.0,0.9297169488040573,0.9020115139469536,0.9513313001165101,0.962348365430745,0.9363520320745664
EOS-2-00541,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)cn1,PFBHYDOYLGXTRO-UHFFFAOYSA-N,2,1,0.536,57,962,449.848,5.364,5,0.338,0.78,1.0,0.917783222534439,0.9294513741347405,0.9709238571722295,0.9744105955726132,0.9481422623535056
EOS-2-00542,Fc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cccnc5)c4)n23)ccc1Cl,VXMHSXDYXJWSNB-UHFFFAOYSA-N,2,1,0.736,57,13,449.848,5.364,5,0.361,0.82,1.0,0.9860787471729148,0.9756185319717634,0.9759612089644302,0.9800990336508807,0.9794393804399972
EOS-2-00543,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)cn1,ANLBYZZWPYVYLK-UHFFFAOYSA-N,2,1,0.757,57,962,449.848,5.364,5,0.338,0.81,1.0,0.9882376122267151,0.9803988760194641,0.9753272565279967,0.977306216160647,0.9803174902337057
EOS-2-00544,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)nc1,QYKVSLOQRSWIOI-UHFFFAOYSA-N,2,1,0.746,57,951,449.848,5.364,5,0.361,0.82,1.0,0.987286683572065,0.9777002947022136,0.9682852443286958,0.9719347543005963,0.9763017442258927
EOS-2-00545,FC(F)Oc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,FNBSKCSOHOARDG-UHFFFAOYSA-N,2,1,0.438,83,558,449.848,5.775,5,0.34,0.81,1.0,0.6355116167500514,0.9088136522513879,0.9688163936673292,0.97521588650538,0.8720893872935371
EOS-2-00546,COc1cc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4F)n23)ccc1Cl,OGXUQARQFZCNCU-UHFFFAOYSA-N,2,1,0.346,45,533,449.848,5.461,5,0.364,0.69,1.0,0.5785072990199438,0.8070043177301076,0.9586217531354945,0.9623569323555616,0.826622575560277
EOS-2-00547,Fc1ccc(F)c(COc2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,OFLAKQONQQZHCG-UHFFFAOYSA-N,2,1,0.443,57,533,449.848,5.364,5,0.361,0.6,1.0,0.7593722157494346,0.9340346789116579,0.9558717702693441,0.9629823178671784,0.9030652456994037
EOS-2-00548,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1F,HVLAJGLACYZWEA-UHFFFAOYSA-N,2,1,0.757,57,962,449.848,5.364,5,0.338,0.82,1.0,0.9882461791515318,0.9799105613049139,0.9748646425878966,0.9773147830854636,0.9800840415324514
EOS-2-00549,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)c1F,HUNRGNHAKLQGKQ-UHFFFAOYSA-N,2,1,0.568,57,951,449.848,5.364,5,0.361,0.78,1.0,0.9836628743746145,0.9683966143513124,0.9658608046055788,0.9702470701117127,0.9720418408608047
EOS-2-00550,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)c1,QVIZZWIFWXJHQP-UHFFFAOYSA-N,2,1,0.75,57,951,449.848,5.364,5,0.361,0.78,1.0,0.9865413611130148,0.9728771160304297,0.9695788499760126,0.9739822493317799,0.9757448941128093
EOS-2-00551,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2)cn1,LGVQHUVLUIARAP-UHFFFAOYSA-N,2,1,0.582,57,962,449.848,5.364,5,0.338,0.8,1.0,0.9740422178054965,0.9712065656911795,0.9724659036392297,0.9760297443629635,0.9734361078747173
EOS-2-00552,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cc2)nc1,NGWMUOYSURKJJT-UHFFFAOYSA-N,2,1,0.575,57,798,449.848,5.364,5,0.361,0.8,1.0,0.9808614899595641,0.9668802686587622,0.9645500651086286,0.9706925502021794,0.9707460934822836
EOS-2-00553,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)cc1,QNXYKSXZZJWSRE-UHFFFAOYSA-N,2,1,0.786,57,13,449.848,5.364,5,0.361,0.83,1.0,0.9802789390720307,0.970521211705846,0.9699900623672126,0.9756699335206634,0.9741150366664382
EOS-2-00554,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccn1,VDYAQYGYBCYAFI-UHFFFAOYSA-N,2,1,0.531,57,671,449.848,5.364,5,0.361,0.76,1.0,0.9340946473853745,0.9294599410595573,0.9581248714961278,0.9697416215475293,0.9478552703721472
EOS-2-00555,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)nc1,QPNXNJJULIVMNJ-UHFFFAOYSA-N,2,1,0.684,57,11,449.848,5.364,5,0.361,0.81,1.0,0.9653810568158454,0.947390514700843,0.9658693715303954,0.9707011171269961,0.96233551504352
EOS-2-00556,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)cc1F,XJZSETHWNUGGIB-UHFFFAOYSA-N,2,1,0.684,57,11,449.848,5.364,5,0.361,0.79,1.0,0.9659464738537454,0.9506202453567267,0.9663662531697622,0.9707096840518128,0.9634106641080118
EOS-2-00557,Fc1ccccc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,MXHITZCRVAGPPO-UHFFFAOYSA-N,2,1,0.568,57,461,449.848,5.364,5,0.361,0.82,1.0,0.9538756767870605,0.9785998218079638,0.9346343636488246,0.952933315057227,0.955010794325269
EOS-2-00558,Fc1cccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1F,OIZYJRNNXKKDMS-UHFFFAOYSA-N,2,1,0.575,57,461,449.848,5.364,5,0.361,0.86,1.0,0.9636591049276951,0.9811441984785142,0.9488468919196765,0.960026728805428,0.9634192310328284
EOS-2-00559,Fc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cn4)cc3)n12,JPYRBMWGOQTPNS-UHFFFAOYSA-N,2,1,0.557,57,709,449.848,5.364,5,0.361,0.78,1.0,0.9802875059968473,0.9644986635597286,0.9600952642039613,0.9671715441025289,0.9680132444657665
EOS-2-00560,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)cc1F,PSNAXHOOBLUUFZ-UHFFFAOYSA-N,2,1,0.61,57,80,449.848,5.364,5,0.361,0.74,1.0,0.9270012336371736,0.9654067575902954,0.965004112123912,0.9711551641422795,0.9571418168734152
EOS-2-00561,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)cc5)nc4)n23)c(F)c1,FVFQDIWJJVHXER-UHFFFAOYSA-N,2,1,0.577,57,798,449.848,5.364,5,0.361,0.83,1.0,0.9585360838873278,0.9662548831471455,0.9595641148653279,0.9686536220958125,0.9632521759989033
EOS-2-00562,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)nc4)n23)cc1F,NYCOGZCFAHLMRP-UHFFFAOYSA-N,2,1,0.608,57,13,449.848,5.364,5,0.361,0.82,1.0,0.9695445822767459,0.9718490850524296,0.9640788842437119,0.9711637310670962,0.969159070659996
EOS-2-00563,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5Cl)nc4)n23)cc1F,XYKLNIDUMSKZOM-UHFFFAOYSA-N,2,1,0.595,57,13,449.848,5.364,5,0.361,0.8,1.0,0.9762439174833801,0.9705297786306627,0.9632650263861284,0.9707182509766294,0.9701892433692001
EOS-2-00564,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)nc2)cc1,KEAAXZPQUJNAEJ-UHFFFAOYSA-N,2,1,0.551,57,798,449.848,5.364,5,0.361,0.82,1.0,0.8856401206223015,0.8997327119457199,0.9601038311287781,0.9711722979919128,0.929162240422178
EOS-2-00565,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1F,BNWSWJNEDAOVIN-UHFFFAOYSA-N,2,1,0.689,57,798,449.848,5.364,5,0.361,0.81,1.0,0.9867555342334315,0.9883232814748818,0.9674456856966623,0.9727057775340964,0.978807569734768
EOS-2-00566,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)nc4)n23)c(F)c1,CQOAGYQYESVGEV-UHFFFAOYSA-N,2,1,0.56,57,798,449.848,5.364,5,0.361,0.81,1.0,0.9516482763347269,0.959512713316428,0.9564200534576108,0.9666318278390789,0.9585532177369611
EOS-2-00567,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c1,KJQCTXKBEYYXQX-UHFFFAOYSA-N,2,1,0.529,57,709,449.848,5.364,5,0.361,0.74,1.0,0.9341032143101912,0.9204818038516894,0.9622626961825783,0.969750188472346,0.9466494757042012
EOS-2-00568,Fc1ccc(F)c(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,BKTYILREDKJJHA-UHFFFAOYSA-N,2,1,0.58,57,461,449.848,5.364,5,0.361,0.74,1.0,0.9611832636556782,0.9799191282297307,0.9470478377081762,0.9610975944075115,0.9623119560002742
EOS-2-00569,Fc1cccc(F)c1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cn4)c3)n12,MHJKRUIASFPHPA-UHFFFAOYSA-N,2,1,0.518,57,709,449.848,5.364,5,0.361,0.75,1.0,0.9270098005619902,0.9204903707765061,0.956985470495511,0.9656894661092454,0.9425437769858132
EOS-2-00570,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)cc1F,ZWOAXTPQTMNCKR-UHFFFAOYSA-N,2,1,0.676,57,13,449.848,5.364,5,0.361,0.84,1.0,0.9598296895346446,0.9412908642313755,0.967120142553629,0.9744191624974299,0.9606649647042698
EOS-2-00571,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,OWYGTLYHANLGIO-UHFFFAOYSA-N,2,1,0.448,57,962,449.848,5.364,5,0.338,0.83,1.0,0.9091306284696046,0.8795833047769173,0.9513398670413269,0.9616972791446782,0.9254377698581318
EOS-2-00572,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1F,RFYQOMWOIWUDFV-UHFFFAOYSA-N,2,1,0.658,57,798,449.848,5.364,5,0.361,0.86,1.0,0.9901566033856487,0.9866698649852649,0.9645586320334453,0.9702556370365294,0.977910184360222
EOS-2-00573,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c1F,XHXMAYHZSBJLHV-UHFFFAOYSA-N,2,1,0.529,57,962,449.848,5.364,5,0.361,0.77,1.0,0.9410766911109588,0.9278664930436571,0.9632735933109451,0.9686621890206292,0.9502197416215475
EOS-2-00574,Cc1cc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)ccc1Cl,JLTVEBXXJPTPTQ-UHFFFAOYSA-N,2,1,0.529,13,236,449.848,5.886,5,0.342,0.83,1.0,0.8049396888492907,0.7863665958467548,0.9706154478788294,0.9752244534301967,0.8842865465012679
EOS-2-00575,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3cccc(-c4ncccc4F)c3)n12,LCLXITBYBOGOLL-UHFFFAOYSA-N,2,1,0.523,57,962,449.848,5.364,5,0.361,0.73,1.0,0.9205846069494894,0.9204989377013227,0.9569940374203276,0.9656980330340621,0.9409439037763005
EOS-2-00576,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)ccn2)c1,ILJRLWXTEAEWIP-UHFFFAOYSA-N,2,1,0.536,57,798,449.848,5.364,5,0.361,0.85,1.0,0.9410852580357755,0.9340432458364746,0.9640874511685286,0.9731940922486464,0.9531025118223563
EOS-2-00577,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccn2)cc1,LJUICQNLFQCWTL-UHFFFAOYSA-N,2,1,0.59,57,798,449.848,5.364,5,0.361,0.82,1.0,0.9562658488109108,0.9515797409361936,0.9616630114454116,0.9719433212254129,0.9603629806044822
EOS-2-00578,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccc5)n4)n23)cc1Cl,RTYCWHHOUKVHRL-UHFFFAOYSA-N,2,1,0.573,57,461,449.848,5.364,5,0.361,0.72,1.0,0.9308477828798575,0.9566256596532109,0.9353282845589748,0.9498320882735933,0.9431584538414091
EOS-2-00579,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)nc1,QKXZKVWIDONUIS-UHFFFAOYSA-N,2,1,0.518,57,709,449.848,5.364,5,0.361,0.79,1.0,0.9192310328284559,0.9222808580631896,0.9570026043451443,0.9662034815982455,0.9411794942087588
EOS-2-00580,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cc1,NBTDCISZJYPBNN-UHFFFAOYSA-N,2,1,0.592,57,461,449.848,5.364,5,0.361,0.82,1.0,0.9592214378726612,0.9818381193886643,0.940734014118292,0.9581077376464944,0.9599753272565279
EOS-2-00581,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)cc1F,AGQJKWNQUVRMSR-UHFFFAOYSA-N,2,1,0.746,57,951,449.848,5.364,5,0.361,0.8,1.0,0.9880063052566651,0.9799276951545474,0.9688249605921458,0.9719518881502296,0.977177712288397
EOS-2-00582,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cc2)cc1,TXZQNIMSHXQSAX-UHFFFAOYSA-N,2,1,0.592,57,80,449.848,5.364,5,0.361,0.79,1.0,0.9493266397094099,0.9547837708176273,0.9636248372284285,0.9715064080597628,0.9598104139538071
EOS-2-00583,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)nc1,QLNIVMCACFULSB-UHFFFAOYSA-N,2,1,0.684,57,11,449.848,5.364,5,0.361,0.81,1.0,0.9659550407785621,0.9484442464532932,0.9658779384552121,0.970264203961346,0.9626353574121034
EOS-2-00584,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)c1,VSTLOZXGRBLCKD-UHFFFAOYSA-N,2,1,0.58,57,461,449.848,5.364,5,0.361,0.79,1.0,0.9538842437118772,0.9818466863134809,0.9586303200603111,0.9702727708861627,0.966158505242958
EOS-2-00585,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)cc1,RGDCWDVHERJYEN-UHFFFAOYSA-N,2,1,0.592,57,461,449.848,5.364,5,0.361,0.78,1.0,0.9670259063806456,0.9837742443972312,0.9612003975053115,0.9719604550750462,0.9709902508395586
EOS-2-00586,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)nc4)n23)cc1,CMBRLXPWQXOTKM-UHFFFAOYSA-N,2,1,0.632,57,13,449.848,5.364,5,0.361,0.83,1.0,0.9501833321910766,0.9662634500719621,0.9682938112535124,0.9744277294222465,0.9647920807346995
EOS-2-00587,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)c1F,IVOXIRSGVHITBX-UHFFFAOYSA-N,2,1,0.512,57,560,449.848,5.364,5,0.361,0.85,0.999,0.892922006716469,0.8900178192036187,0.9645671989582619,0.9735282023164965,0.9302588067987115
EOS-2-00588,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)c1,VEGJAUYSIAFCND-UHFFFAOYSA-N,2,1,0.671,57,13,449.848,5.364,5,0.361,0.82,1.0,0.9570026043451443,0.9637105064765952,0.9663748200945789,0.972714344458913,0.9649505688438078
EOS-2-00589,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)c(Cl)c1,MUAIBUAERKIFNK-UHFFFAOYSA-N,2,1,0.46,57,560,449.848,5.364,5,0.361,0.75,1.0,0.782597148927421,0.8503700911520801,0.9606778150914947,0.973202659173463,0.8917119285861147
EOS-2-00590,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,GPHBFMIRDKQBFO-UHFFFAOYSA-N,2,1,0.448,57,560,449.848,5.364,5,0.338,0.81,1.0,0.880028784867384,0.8403639229662121,0.9519652525529436,0.962990884791995,0.9088372112946337
EOS-2-00591,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cccnc1F,SVILTRLTUOHBBO-UHFFFAOYSA-N,2,1,0.68,57,798,449.848,5.364,5,0.338,0.82,1.0,0.9865499280378316,0.9878435336851484,0.9699986292920293,0.9739908162565966,0.9795957268179015
EOS-2-00592,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1F,NLRUZYRZNCNYTA-UHFFFAOYSA-N,2,1,0.685,57,798,449.848,5.364,5,0.361,0.75,1.0,0.987543691316565,0.9880834075800151,0.9738965800836132,0.9797906243574807,0.9823285758344185
EOS-2-00593,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)ccc1Cl,SACXHWXOWHRAAR-UHFFFAOYSA-N,2,1,0.603,57,560,449.848,5.364,5,0.361,0.77,1.0,0.8893581659927352,0.8795918717017339,0.9645757658830786,0.9735367692413132,0.9267656432047152
EOS-2-00594,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)cn2)cc1,PTNVJCVDLMROMO-UHFFFAOYSA-N,2,1,0.562,57,798,449.848,5.364,5,0.361,0.82,1.0,0.9205931738743061,0.954792337742444,0.9645843328078952,0.9735453361661298,0.9533787951476937
EOS-2-00595,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)c1,MMHVHSWPAQIJHA-UHFFFAOYSA-N,2,1,0.608,57,560,449.848,5.364,5,0.361,0.85,1.0,0.8676324446576656,0.8796004386265506,0.9650126790487287,0.9739993831814132,0.9215612363785896
EOS-2-00596,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)c1,LEIIXCSKXDUSRS-UHFFFAOYSA-N,2,1,0.608,57,461,449.848,5.364,5,0.361,0.79,1.0,0.915101775066822,0.9697758892467959,0.9558803371941608,0.9676769926667124,0.9521087485436227
EOS-2-00597,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cc1,BQLMODNLGCXITK-UHFFFAOYSA-N,2,1,0.676,57,560,449.848,5.364,5,0.361,0.86,1.0,0.9353539853334247,0.912882941539305,0.9671287094784456,0.9752330203550134,0.9476496641765472
EOS-2-00598,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)c1F,NZDKBYYLBGUPNL-UHFFFAOYSA-N,2,1,0.568,57,137,449.848,5.364,5,0.361,0.82,1.0,0.9122489891028717,0.9355852923034748,0.9724744705640463,0.9795164827633472,0.9499563086834351
EOS-2-00599,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)cc1F,RUXGNMREJXGVPA-UHFFFAOYSA-N,2,1,0.746,57,13,449.848,5.364,5,0.361,0.78,1.0,0.9467051607155096,0.9557261325474607,0.9745390994448633,0.9808614899595641,0.9644579706668494
EOS-2-00600,Fc1cccc(F)c1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)cc4)c3)n12,UTFNCASKKSMBNY-UHFFFAOYSA-N,2,1,0.557,57,137,449.848,5.364,5,0.361,0.79,1.0,0.9044616544445206,0.9278750599684737,0.9678911657871291,0.9773233500102803,0.9443878075526009
EOS-2-00601,Fc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)c1,HSISPZBEDGCYIA-UHFFFAOYSA-N,2,1,0.562,57,137,449.848,5.364,5,0.361,0.74,1.0,0.907648550476321,0.929468507984374,0.9716606127064629,0.9801076005756973,0.9472213179357138
EOS-2-00602,Fc1cccc(F)c1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)ccn3)n12,LMZGNKJSNVKJQG-UHFFFAOYSA-N,2,1,0.5,57,560,449.848,5.364,5,0.361,0.82,1.0,0.8761394010006168,0.8739462682475498,0.9586388869851278,0.9711808649167295,0.919976355287506
EOS-2-00603,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5cccc(Cl)c5)c4)n23)c1F,VXAXACKWZOMDAA-UHFFFAOYSA-N,2,1,0.518,57,137,449.848,5.364,5,0.361,0.8,1.0,0.8893667329175519,0.9168579946542389,0.9706240148036461,0.9784713179357138,0.9388300150777877
EOS-2-00604,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cc1,XLOUKWWLVWSKOU-UHFFFAOYSA-N,2,1,0.676,57,560,449.848,5.364,5,0.361,0.86,1.0,0.9353625522582414,0.9128915084641217,0.9671372764032623,0.97524158727983,0.9476582311013638
EOS-2-00605,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)c1,SZAWANDISCHRFX-UHFFFAOYSA-N,2,1,0.506,57,560,449.848,5.364,5,0.361,0.84,1.0,0.8676410115824823,0.8796090055513672,0.9632821602357617,0.9744362963470633,0.9212421184291686
EOS-2-00606,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cn1,AMEBXWISCKUBOA-UHFFFAOYSA-N,2,1,0.699,57,798,449.848,5.364,5,0.338,0.76,1.0,0.9875522582413817,0.9890086354602152,0.9731598245493798,0.9780943732437805,0.9819537728736892
EOS-2-00607,Fc1ccccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncc1F,AJVMEALEDUYVMK-UHFFFAOYSA-N,2,1,0.575,57,461,449.848,5.364,5,0.361,0.79,1.0,0.9624340346789116,0.9814783085463642,0.9581334384209444,0.9686707559454458,0.9676791343979165
EOS-2-00608,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)cc1Cl,GXRUZSJGWUIZBT-UHFFFAOYSA-N,2,1,0.667,57,13,449.848,5.364,5,0.361,0.86,1.0,0.9636676718525118,0.9645072304845452,0.9654324583647453,0.9723716674662464,0.9664947570420122
EOS-2-00609,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)c1,MXUHLTORXSKYEW-UHFFFAOYSA-N,2,1,0.595,57,461,449.848,5.364,5,0.361,0.84,1.0,0.954689534644644,0.9818552532382976,0.9591357686244946,0.9711894318415462,0.9667174970872456
EOS-2-00610,Fc1cccc(-c2cc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)ccn2)c1,OFZQPYDMCINWBG-UHFFFAOYSA-N,2,1,0.518,57,671,449.848,5.364,5,0.361,0.76,1.0,0.9257333287643068,0.9308135151805907,0.9495151120553766,0.9636077033787952,0.9424174148447674
EOS-2-00611,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)cc1F,CSROTBSTMNARSB-UHFFFAOYSA-N,2,1,0.568,57,80,449.848,5.364,5,0.338,0.77,1.0,0.9283548077582071,0.9548009046672606,0.9601123980535947,0.9666403947638955,0.9524771263107394
EOS-2-00612,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cc3F)n12,DBNLEOQKQGUJDB-UHFFFAOYSA-N,2,1,0.518,57,80,449.848,5.364,5,0.361,0.76,1.0,0.8782040298814338,0.9222894249880063,0.9353368514837914,0.9536615036666438,0.9223729525049689
EOS-2-00613,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)cc1F,ITVUYWKNZZOPCU-UHFFFAOYSA-N,2,1,0.64,57,80,449.848,5.364,5,0.338,0.77,1.0,0.9780686724693304,0.9697844561716127,0.972483037488863,0.9752501542046467,0.9738965800836132
EOS-2-00614,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cc2Cl)cc1,HJSPNLUPMLAJQX-UHFFFAOYSA-N,2,1,0.618,57,798,449.848,5.364,5,0.361,0.75,1.0,0.9774261531080803,0.9645157974093619,0.9683023781783291,0.9768950037694469,0.9717848331163046
EOS-2-00615,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)cc1F,KOHCQKODNJSTLD-UHFFFAOYSA-N,2,1,0.627,57,80,449.848,5.364,5,0.361,0.73,1.0,0.9839113151942979,0.9691419368103625,0.9720461243232129,0.977331916935097,0.9756078233157426
EOS-2-00616,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)c(Cl)c4)n23)c1F,LDDZGNPBQFBFLW-UHFFFAOYSA-N,2,1,0.524,57,962,449.848,5.364,5,0.361,0.71,1.0,0.9743934617229799,0.9355938592282914,0.9645928997327119,0.9719690219998629,0.9616373106709616
EOS-2-00617,Fc1cccc(F)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,JQPKTIDTSLCWMF-UHFFFAOYSA-N,2,1,0.64,57,461,449.848,5.364,5,0.361,0.82,1.0,0.9509629223493935,0.9822407648550476,0.9586474539099444,0.9686793228702625,0.965132615996162
EOS-2-00618,Fc1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cnc1F,KSCBZPWHLICXPP-UHFFFAOYSA-N,2,1,0.641,57,326,449.848,5.364,5,0.338,0.77,1.0,0.9820094578849976,0.9869868412034816,0.9695874169008293,0.9735539030909465,0.9780344047700636
EOS-2-00619,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)c1,FKDLTIXPWILSCK-UHFFFAOYSA-N,2,1,0.57,57,326,449.848,5.364,5,0.361,0.77,1.0,0.9624426016037283,0.9777088616270304,0.9688335275169625,0.9756785004454801,0.9711658727983004
EOS-2-00620,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)ccn1,FWIIMXYMFFTXCO-UHFFFAOYSA-N,2,1,0.712,57,798,449.848,5.364,5,0.338,0.79,1.0,0.9890086354602152,0.9911417997395655,0.9731683914741964,0.9781029401685971,0.9828554417106435
EOS-2-00621,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cc1F,REYJYXXTNVEJAQ-UHFFFAOYSA-N,2,1,0.676,57,560,449.848,5.364,5,0.361,0.86,1.0,0.935371119183058,0.9168665615790556,0.967145843328079,0.9752587211294633,0.9486605613049139
EOS-2-00622,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cc1F,KIKWKQPOIXKZHY-UHFFFAOYSA-N,2,1,0.595,57,962,449.848,5.364,5,0.338,0.76,1.0,0.9217325748749229,0.9278836268932904,0.9706325817284628,0.9740079501062299,0.9485641834007266
EOS-2-00623,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4cccnc4F)cc3)n12,YVJPJNZWPILYOE-UHFFFAOYSA-N,2,1,0.538,57,671,449.848,5.364,5,0.338,0.76,1.0,0.8893752998423686,0.9356024261531081,0.9591443355493112,0.9657065999588788,0.9374571653759167
EOS-2-00624,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cc1F,YSCANBBVKKQYRE-UHFFFAOYSA-N,2,1,0.575,57,80,449.848,5.364,5,0.361,0.74,1.0,0.9373672126653416,0.922297991912823,0.970007196216846,0.9760383112877802,0.9514276780206978
EOS-2-00625,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)ccn1,LBELWODFZUQCNE-UHFFFAOYSA-N,2,1,0.68,57,798,449.848,5.364,5,0.338,0.76,1.0,0.984836543074498,0.9893170447536153,0.9735367692413132,0.9784798848605305,0.9815425604824892
EOS-2-00626,Fc1nnccc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,GSKRMRNFKAIROT-UHFFFAOYSA-N,2,1,0.402,53,602,449.837,2.847,5,0.385,0.54,1.0,0.6355201836748681,0.5904324583647453,0.3223305462271263,0.3860513330135015,0.48358363032006024
EOS-2-00627,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)ccn1,DYUJABUCZLJNJN-UHFFFAOYSA-N,2,1,0.373,18,194,449.837,2.847,5,0.36,0.58,0.715,0.5785158659447605,0.5856092796929614,0.32233911315194297,0.38002021794256735,0.466621119183058
EOS-2-00628,N=c1[nH]cc(-c2cnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)cc1F,UIAWTYWYWHWGEE-UHFFFAOYSA-N,2,1,0.392,46,565,449.837,2.822,5,0.394,0.73,1.0,0.5757487492289768,0.48736378589541496,0.568004249194709,0.5716537591666095,0.5506926358714276
EOS-2-00629,Cc1nc(-c2cnc(F)nc2)cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)n1,AIPJSBPHXRKBBO-UHFFFAOYSA-N,2,1,0.379,46,565,449.837,3.113,5,0.294,0.68,1.0,0.6839575765883079,0.5997704064149133,0.40783702282228773,0.3955263518607361,0.5217728394215613
EOS-2-00630,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)cc1F,BMFKOQRFRCAMNX-UHFFFAOYSA-N,2,1,0.375,51,924,449.837,3.113,5,0.398,0.61,0.771,0.5961123295181961,0.5562589952710575,0.34055239531217874,0.3539424988006305,0.46171655472551576
EOS-2-00631,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)c(F)n4)n23)nn1,HAIUFAQYRUUUEJ-UHFFFAOYSA-N,2,1,0.398,53,237,449.837,3.113,5,0.373,0.62,1.0,0.593250976629429,0.59977897333973,0.29307449797820573,0.31889520937564253,0.4512499143307518
EOS-2-00632,Fc1ccnc(CCOc2cncc3nnc(-c4cnnc(-c5cnc(Cl)nc5)c4)n23)c1,PGELNVSNQVZNOA-UHFFFAOYSA-N,2,1,0.474,87,778,449.837,2.847,5,0.36,0.47,0.996,0.7266722637242136,0.8106880954012747,0.4006493729011034,0.439654581591392,0.594416078404496
EOS-2-00633,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)cnc1Cl,HONQVEKLSXFGNZ-UHFFFAOYSA-N,2,1,0.424,54,411,449.837,2.847,5,0.36,0.59,0.81,0.7536323761222672,0.7385888561441984,0.3594595983825646,0.4114608320197382,0.5657854156671921
EOS-2-00634,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)cn1,QLUQFQXQLOAAQU-UHFFFAOYSA-N,2,1,0.371,51,720,449.837,3.113,5,0.373,0.62,1.0,0.5675587691042423,0.5516928243437735,0.2930830649030224,0.3002535809745734,0.4281470598314029
EOS-2-00635,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)nc1,DRCMZHYFCONFJH-UHFFFAOYSA-N,2,1,0.495,87,930,449.837,2.847,5,0.385,0.66,1.0,0.7910013021725721,0.8597423069015147,0.22070968405181277,0.28217736961140427,0.538407665684326
EOS-2-00636,Cc1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(-c2ncc(F)cn2)n1,HWJRDCTUAGNSQQ-UHFFFAOYSA-N,2,1,0.446,7,775,449.837,3.113,5,0.398,0.69,0.998,0.6688455212117058,0.7385974230690151,0.22071825097662942,0.25555136728120076,0.4709281406346377
EOS-2-00637,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cn1,JQFRTRJDXMYZIJ-UHFFFAOYSA-N,2,1,0.479,87,434,449.837,2.847,5,0.36,0.67,1.0,0.7236310054142965,0.8565125762456308,0.3223476800767596,0.3539510657254472,0.5641105818655335
EOS-2-00638,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nc1Cl,VDKBHQWCNAXBRO-UHFFFAOYSA-N,2,1,0.4,54,411,449.837,2.847,5,0.36,0.66,1.0,0.6810876567747242,0.7013313001165101,0.19617401137687615,0.282185936536221,0.4651947262010828
EOS-2-00639,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)ncn4)n23)c1,TYIJRHGCVJSONU-UHFFFAOYSA-N,2,1,0.417,18,194,449.837,2.847,5,0.36,0.57,0.871,0.7593807826742512,0.6961740113768762,0.41451065725447195,0.4337348365430745,0.5759500719621684
EOS-2-00640,Fc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cncnn1,FWIABBHSKIFGPI-UHFFFAOYSA-N,2,1,0.439,31,814,449.837,2.847,5,0.36,0.56,0.964,0.7564937290110342,0.7245305325200466,0.35946816530738124,0.43374340346789114,0.5685589575765884
EOS-2-00641,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nn4)n23)c1,UVRVOOSFFFUDKW-UHFFFAOYSA-N,2,1,0.447,54,411,449.837,2.847,5,0.36,0.63,0.956,0.7082876430676445,0.7564851620862175,0.3187752724282092,0.3768333219107669,0.5400953498732095
EOS-2-00642,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cn1,FYHRDJZCBBYBFR-UHFFFAOYSA-N,2,1,0.463,65,434,449.837,2.847,5,0.36,0.62,0.999,0.776874443149887,0.8653622095812488,0.3296552669453773,0.35395963265026387,0.5814628880816942
EOS-2-00643,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2F)c1,OIMSBJDGVQGNKU-UHFFFAOYSA-N,2,1,0.381,46,94,449.837,3.113,5,0.373,0.58,0.86,0.5932595435542458,0.6044308135151806,0.32966383387019393,0.36056473168391473,0.4719797306558838
EOS-2-00644,Fc1cnccc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ncn1,LMVUDLNSCTUGRZ-UHFFFAOYSA-N,2,1,0.384,18,194,449.837,2.847,5,0.385,0.54,0.693,0.6688540881365225,0.5950757316153793,0.32235624700157633,0.39553491878555275,0.49545524638475774
EOS-2-00645,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)nn2)c1,UYGOTLVQIHZFNG-UHFFFAOYSA-N,2,1,0.44,54,411,449.837,2.847,5,0.36,0.64,0.326,0.8284558974710438,0.7386059899938319,0.3336731546843945,0.3955434857103694,0.5740696319649099
EOS-2-00646,Cc1ncncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cn1,XCGODIXVXQVIMC-UHFFFAOYSA-N,2,1,0.406,51,379,449.837,3.113,5,0.373,0.75,1.0,0.7446970735384826,0.7431892947707491,0.33368172160921117,0.33477828798574466,0.5390865944760469
EOS-2-00647,N=c1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)c[nH]1,ADWBNNQKXWFXEW-UHFFFAOYSA-N,2,1,0.523,44,488,449.837,2.822,5,0.421,0.67,0.387,0.662728736892605,0.5517013912685902,0.615353642656432,0.6085172366527312,0.6095752518675895
EOS-2-00648,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ncn2)cn1,IZQKKYCCYVFXFV-UHFFFAOYSA-N,2,1,0.39,31,602,449.837,2.847,5,0.36,0.63,0.833,0.6355287505996847,0.6473511068466863,0.3111935439654582,0.37684188883558356,0.49272882256185324
EOS-2-00649,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)nc1,GOJYQBPKDHMLJH-UHFFFAOYSA-N,2,1,0.424,18,842,449.837,2.847,5,0.385,0.54,0.786,0.7710746350490028,0.6473596737715029,0.29674970872455625,0.36716126379274894,0.5205863203344527
EOS-2-00650,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5cncnn5)ccn4)n23)c1,SMCIXLRZIGALTP-UHFFFAOYSA-N,2,1,0.404,18,88,449.837,2.847,5,0.36,0.53,1.0,0.7174456856966623,0.642125282708519,0.43314371873072444,0.48634432184223153,0.5697647522445343
EOS-2-00651,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)nn2)c1,GROPTRQFVUZQAE-UHFFFAOYSA-N,2,1,0.385,54,411,449.837,2.847,5,0.385,0.62,0.694,0.6839661435131246,0.6961825783016928,0.2706976903570694,0.36716983071756565,0.5045040607223631
EOS-2-00652,Cc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)nn1,CBDDSDUTNUGFSV-UHFFFAOYSA-N,2,1,0.523,36,29,449.837,3.113,5,0.398,0.65,1.0,0.6719467479953396,0.9044273867452539,0.2707062572818861,0.3671783976423823,0.5535646974162155
EOS-2-00653,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)nn1,SPLMSTLKTJASCA-UHFFFAOYSA-N,2,1,0.412,54,411,449.837,2.847,5,0.36,0.65,0.695,0.6990953327393599,0.6961911452265095,0.24567370296758276,0.3282245905009938,0.4922961928586115
EOS-2-00654,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ncc(Cl)cn5)ncn4)n23)c1,CSYMOINAWJYBCJ-UHFFFAOYSA-N,2,1,0.432,18,842,449.837,2.847,5,0.385,0.54,0.701,0.7207011171269961,0.6327187992598177,0.24940888218764992,0.32504626139401,0.4819687649921184
EOS-2-00655,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)c2)n1,RSTXOBNTHJTIOV-UHFFFAOYSA-N,2,1,0.453,2,980,449.837,3.113,5,0.398,0.63,1.0,0.6719553149201563,0.6620005482831882,0.42928860256322393,0.46501267904872867,0.5570642862038242
EOS-2-00656,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)nc1Cl,FCQKMBCARVQIIX-UHFFFAOYSA-N,2,1,0.454,65,435,449.837,2.847,5,0.36,0.67,1.0,0.7768830100747036,0.8503786580768967,0.3003049825234734,0.34760297443629634,0.5687924062778426
EOS-2-00657,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5cnc(Cl)nc5)n34)nc2C)ncc1F,VQPVUTLVFZQWSF-UHFFFAOYSA-N,2,1,0.344,7,775,449.837,3.635,5,0.379,0.59,0.996,0.8475001713384963,0.7245390994448633,0.24941744911246658,0.23780069906106505,0.5148143547392228
EOS-2-00658,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2F)n1,JYIJYCUTHDUVBO-UHFFFAOYSA-N,2,1,0.358,51,924,449.837,3.113,5,0.373,0.53,0.998,0.6385957096840518,0.6232266465629498,0.2601689397573847,0.2851329586731547,0.4517810636693853
EOS-2-00659,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,BUDJOSIMJYDXNJ-UHFFFAOYSA-N,2,1,0.439,87,838,449.837,2.847,5,0.385,0.63,0.998,0.6355373175245014,0.7200414639161127,0.32967240079501064,0.38301864162840105,0.5170674559660065
EOS-2-00660,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)nn2)cn1,GPCXGLNPNBGLFE-UHFFFAOYSA-N,2,1,0.388,54,411,449.837,2.847,5,0.36,0.68,0.724,0.6929614145706258,0.7200500308409293,0.2785792611884038,0.35715509560688097,0.51218645055171
EOS-2-00661,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)nc1,VSJZEHKSAZICHT-UHFFFAOYSA-N,2,1,0.473,75,263,449.837,2.847,5,0.385,0.56,1.0,0.7910098690973888,0.7520303611815503,0.22778596395038037,0.28799431156192173,0.5147051264478103
EOS-2-00662,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)nc1,PWZBRTZZMHJART-UHFFFAOYSA-N,2,1,0.489,65,263,449.837,2.847,5,0.385,0.6,1.0,0.8233585772051264,0.8685234048385991,0.22399081625659653,0.28219450346103764,0.5495168254403399
EOS-2-00663,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)nc1,ADNFSJLIQWPMCG-UHFFFAOYSA-N,2,1,0.457,65,491,449.837,2.847,5,0.385,0.63,1.0,0.7356161332328147,0.7431978616955658,0.26348433966143514,0.32505482831882665,0.5168382907271606
EOS-2-00664,Fc1nc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1-c1ccncn1,VDTPKCPKBQPCIW-UHFFFAOYSA-N,2,1,0.408,18,814,449.837,2.847,5,0.36,0.58,0.964,0.7385288876704817,0.7290967034473306,0.2967582756493729,0.33804228634089506,0.5256065382770201
EOS-2-00665,Cc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(-c2cc(F)cnn2)n1,GONSCNBRGOIUFD-UHFFFAOYSA-N,2,1,0.409,51,196,449.837,3.113,5,0.398,0.62,0.823,0.6213504900280995,0.7107720512644781,0.23870022616681516,0.29402542663285586,0.46621204852306214
EOS-2-00666,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,UXRQTXVOZCWJPX-UHFFFAOYSA-N,2,1,0.473,87,491,449.837,2.847,5,0.385,0.66,1.0,0.6839747104379412,0.7245476663696799,0.26017750668220135,0.32203070385854293,0.4976826468370914
EOS-2-00667,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2F)n1,DBZRCWDSUMTFHU-UHFFFAOYSA-N,2,1,0.452,7,94,449.837,3.113,5,0.398,0.67,1.0,0.8284644643958604,0.8300407785621273,0.36689568912343223,0.37368069357823314,0.5997704064149133
EOS-2-00668,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nn1,RRNJEFFAFVFGSV-UHFFFAOYSA-N,2,1,0.457,87,838,449.837,2.847,5,0.385,0.68,0.999,0.6443012816119525,0.7291052703721472,0.31878383935302584,0.38302720855321776,0.5188043999725859
EOS-2-00669,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cn2)cn1,NFUCFXLDGMXQCL-UHFFFAOYSA-N,2,1,0.448,65,434,449.837,2.847,5,0.285,0.68,1.0,0.7507624563086834,0.8628092659858817,0.27858782811322047,0.3128555273798917,0.5512537694469193
EOS-2-00670,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2)n[nH]1,SXTYFHUFYPQZHH-UHFFFAOYSA-N,2,1,0.473,1,22,449.833,3.308,5,0.438,0.73,1.0,0.6750651086286067,0.6044393804399972,0.6784661777808237,0.7039270783359606,0.6654744362963471
EOS-2-00671,COc1nc(-c2nnc3cncc(Oc4cc(Cl)ccc4F)n23)ccc1-c1cnccn1,NRXWNHPTHHVAFE-UHFFFAOYSA-N,2,1,0.429,13,110,449.833,4.237,5,0.393,0.69,1.0,0.7768915769995203,0.7386145569186485,0.6479850592831198,0.6261222671509835,0.697403365088068
EOS-2-00672,COc1cc(-c2nnc3cncc(Oc4ccc(-c5ccc(F)nn5)cn4)n23)ccc1Cl,GDSJGFBAKNLZFL-UHFFFAOYSA-N,2,1,0.409,13,412,449.833,4.237,5,0.393,0.7,1.0,0.8428997327119457,0.8873963402097184,0.762353505585635,0.6985384826262765,0.7977970152833939
EOS-2-00673,Oc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccc(F)nc1,BGCLIRLKKLAHEA-UHFFFAOYSA-N,2,1,0.465,97,19,449.833,3.72,5,0.404,0.59,1.0,0.8233671441299432,0.8184068946610924,0.6758875334110068,0.6815759714892742,0.7498093859228292
EOS-2-00674,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)n[nH]1,MFYDZIVKSKEWOM-UHFFFAOYSA-N,2,1,0.489,97,89,449.833,3.308,5,0.438,0.69,1.0,0.8332533753683777,0.6863563155369748,0.7623620725104516,0.7840963607703378,0.7665170310465355
EOS-2-00675,Cn1ncc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)c2)cc1=O,DYXZNGMITNLWGN-UHFFFAOYSA-N,2,1,0.438,13,995,449.833,3.532,5,0.413,0.72,1.0,0.44187341511890893,0.4740165170310465,0.7231512576245631,0.7495887876088,0.5971574943458297
EOS-2-00676,OCc1ncc(-c2ccc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)nc2)cn1,PGUPSQUFYLXZDN-UHFFFAOYSA-N,2,1,0.398,13,412,449.833,3.72,5,0.432,0.73,1.0,0.6658299636762388,0.7648721814817353,0.6838033719416079,0.690040093208142,0.701136402576931
EOS-2-00677,Fc1cc(COc2cncc3nnc(-c4ccc(Oc5ccncn5)nc4)n23)ccc1Cl,KTMDADLSWLEMDF-UHFFFAOYSA-N,2,1,0.633,59,294,449.833,4.14,5,0.381,0.73,1.0,0.9012490576382701,0.8847148927421012,0.8179614145706258,0.767459392776369,0.8428461894318415
EOS-2-00678,Oc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1ccncc1,FIYOVNCCXMJXNC-UHFFFAOYSA-N,2,1,0.438,97,379,449.833,3.72,5,0.404,0.65,1.0,0.7769001439243369,0.777619765608937,0.6535535604139538,0.6638938386676718,0.7179918271537249
EOS-2-00679,COc1cncc(-c2cccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)n1,LSBVAFFQBYEYTG-UHFFFAOYSA-N,2,1,0.467,13,412,449.833,4.237,5,0.393,0.64,1.0,0.8405352614625454,0.9020200808717703,0.645269344116236,0.6116784319100815,0.7498757795901583
EOS-2-00680,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccnnc1,KCRJLSHIIFSHCR-UHFFFAOYSA-N,2,1,0.413,13,251,449.833,4.237,5,0.393,0.66,1.0,0.6929699814954424,0.6570488657391542,0.7231598245493798,0.6900486601329586,0.6908068329792337
EOS-2-00681,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)cn2)n[nH]1,XTIHIHLPDGJKSJ-UHFFFAOYSA-N,2,1,0.473,59,109,449.833,3.308,5,0.438,0.72,0.998,0.7769087108491536,0.720058597765746,0.7360873140977314,0.7650520869028853,0.749526677403879
EOS-2-00682,COc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ncn2)cn1,SVRFJEHHNRUYHG-UHFFFAOYSA-N,2,1,0.511,44,573,449.833,4.237,5,0.393,0.72,1.0,0.7826057158522377,0.7291138372969639,0.7575988623123844,0.712605373175245,0.7454809471592078
EOS-2-00683,COc1nc(-c2nnc3cncc(Oc4cc(F)cc(Cl)c4)n23)ccc1-c1cccnn1,ORYDCYSSBINEAB-UHFFFAOYSA-N,2,1,0.418,13,251,449.833,4.237,5,0.393,0.66,0.999,0.7082962099924611,0.7107806181892947,0.6241947090672332,0.6233123158111165,0.6666459632650263
EOS-2-00684,OCc1cnc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)c2)cn1,SFRYDXHFHVVOAJ-UHFFFAOYSA-N,2,1,0.389,13,110,449.833,3.72,5,0.432,0.67,1.0,0.610144952367898,0.6092625591117813,0.7231683914741964,0.7311613323281475,0.6684343088205058
EOS-2-00685,COc1ncc(-c2nnc3cncc(Oc4ncc(-c5ccccc5Cl)cc4F)n23)cn1,YWAVOAXVKBTRRK-UHFFFAOYSA-N,2,1,0.42,13,412,449.833,4.237,5,0.393,0.8,1.0,0.6688626550613391,0.6092711260365979,0.632761633883901,0.6085258035775478,0.6298553046398465
EOS-2-00686,COc1ncc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)ccc5F)n34)cn2)cn1,TWGUYQWHVINYEH-UHFFFAOYSA-N,2,1,0.483,13,995,449.833,4.237,5,0.393,0.8,1.0,0.8179357137961757,0.8262113631690768,0.702573504214927,0.6552155438283873,0.7504840312521418
EOS-2-00687,Cn1ncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cc1=O,HVVPNCKCJONDBS-UHFFFAOYSA-N,2,1,0.389,13,110,449.833,3.532,5,0.413,0.68,1.0,0.42590466726064014,0.42541635254609006,0.6758961003358235,0.7039356452607772,0.5577881913508327
EOS-2-00688,Cn1ncc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ccc2F)cc1=O,ZDDNYEACSLGACP-UHFFFAOYSA-N,2,1,0.4,13,605,449.833,3.532,5,0.413,0.71,1.0,0.52563223905147,0.6044479473648139,0.6535621273387705,0.6754763210198067,0.6147796586937153
EOS-2-00689,Oc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ncncn1,HZNPYMIHTIVFGU-UHFFFAOYSA-N,2,1,0.675,59,337,449.833,3.72,5,0.432,0.63,1.0,0.9783513809882805,0.9278921938181071,0.8163508327050922,0.7934171749708725,0.879002895620588
EOS-2-00690,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(Cl)nc5)o4)n23)cc1,HLTIEBCGPLNLIO-UHFFFAOYSA-N,2,1,0.529,97,744,449.814,3.982,5,0.214,0.69,1.0,0.7739017202385032,0.4785484202590638,0.4405798094715921,0.2644267013912686,0.4893641628401069
EOS-2-00691,O=[N+]([O-])c1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4nnco4)cc3)n12,UMSCFILTQGPNMZ-UHFFFAOYSA-N,2,1,0.541,43,909,449.814,3.982,5,0.278,0.73,1.0,0.8382735933109451,0.585617846617778,0.4724230690151463,0.34446747995339594,0.5601954972243163
EOS-2-00692,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1,LJWARUFYTYTQBS-UHFFFAOYSA-N,2,1,0.605,48,255,450.218,4.547,4,0.457,0.8,1.0,0.9151103419916387,0.9308220821054074,0.9894626824754986,0.9735624700157631,0.9522393941470769
EOS-2-00693,Brc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)cc1,SGMNALMFLOYCCT-UHFFFAOYSA-N,2,1,0.595,4,32,450.256,3.578,5,0.4,0.68,1.0,0.6473682406963196,0.7339712836680146,0.44058837639640874,0.427403879103557,0.562332944966075
EOS-2-00694,Brc1cccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)c1,BOHCDZUKGVPCLT-UHFFFAOYSA-N,2,1,0.633,4,712,450.256,3.578,5,0.4,0.69,1.0,0.5101004043588514,0.5950842985401961,0.4145192241792886,0.40458159139195393,0.48107137961757246
EOS-2-00695,Brc1ccc(-c2nnc3cncc(OCc4noc(-c5cccnc5)n4)n23)cc1,ALUVANRNDNIOEK-UHFFFAOYSA-N,2,1,0.57,97,335,450.256,3.578,5,0.4,0.81,1.0,0.6473768076211364,0.6814046329929409,0.2563309574395175,0.2971095195668563,0.4705554794051127
EOS-2-00696,Brc1ccc(-c2nnc3cncc(OCc4nccc(-c5cnco5)n4)n23)cc1,PSEZCPNMZZNAKH-UHFFFAOYSA-N,2,1,0.577,97,335,450.256,3.578,5,0.4,0.67,1.0,0.8429082996367624,0.7944366390240559,0.3405609622369954,0.3411777808237955,0.5797709204304023
EOS-2-00697,N#Cc1cc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5F)c4)n23)ccc1Cl,LFDYBALWEBMQGC-UHFFFAOYSA-N,2,1,0.327,45,46,450.264,4.962,5,0.388,0.7,0.997,0.06557980947159207,0.4346686313480913,0.9678997327119457,0.9825577410732643,0.6126764786512233
EOS-2-00698,CCCc1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c(Cl)n1,KJJQJQREWHOYDG-UHFFFAOYSA-N,2,1,0.548,90,555,449.729,5.073,4,0.382,0.69,1.0,0.7416815160030156,0.9088222191762045,0.534507573161538,0.7152182852443287,0.7250573983962717
EOS-2-00699,Cn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(Br)cc3)n12,FMBUGSSPDJPLLO-UHFFFAOYSA-N,2,1,0.476,22,316,450.275,4.155,5,0.413,0.79,1.0,0.204869440065794,0.46520115139469537,0.472431635939963,0.6206051675690494,0.44077684874237544
EOS-2-00700,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(Br)c(F)c4)n23)cn1,YWMXDWLQSIWNGM-UHFFFAOYSA-N,2,1,0.375,96,575,450.275,4.155,5,0.413,0.77,1.0,0.29709238571722296,0.4210043862655061,0.6892433692001919,0.7039442121855939,0.5278210883421287
EOS-2-00701,CCc1ccc(C(F)F)cc1-c1nnc2cncc(OCc3cnc(Cl)cc3Cl)n12,ISDWQHVBNDXCJY-UHFFFAOYSA-N,2,1,0.477,90,555,450.276,5.572,4,0.36,0.67,1.0,0.7994311561921733,0.8334418477143445,0.9756013981221301,0.9715149749845795,0.8949973442533068
EOS-2-00702,Oc1cc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1ccccn1,RZSVTYCKOTXEOY-UHFFFAOYSA-N,2,1,0.489,57,480,450.285,5.658,5,0.381,0.61,1.0,0.765394763895552,0.8184154615859092,0.9144763895552053,0.932792474813241,0.8577697724624769
EOS-2-00703,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1,RRAWSSRZDAALNG-UHFFFAOYSA-N,2,1,0.636,43,389,450.289,4.529,5,0.389,0.79,1.0,0.9373757795901583,0.9462596806250428,0.7231769583990131,0.7934257418956892,0.8500595401274758
EOS-2-00704,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)nc4)n23)cc1,LXUZNXZORAYEDT-UHFFFAOYSA-N,2,1,0.645,73,665,450.289,4.529,5,0.389,0.76,1.0,0.9484271126036597,0.9495151120553766,0.6759046672606401,0.7520474950311836,0.831473596737715
EOS-2-00705,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cc1,HIHWHURMLKDJRN-UHFFFAOYSA-N,2,1,0.506,97,207,450.289,4.529,5,0.364,0.69,1.0,0.6074206702761976,0.6327273661846343,0.7833853060105544,0.8553046398464808,0.7197094955794667
EOS-2-00706,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cc1,JUVWFELHSCJYST-UHFFFAOYSA-N,2,1,0.448,34,560,450.289,4.529,5,0.389,0.8,1.0,0.5202008087177027,0.637559111781235,0.6812418614214242,0.7888167363443218,0.6569546295661709
EOS-2-00707,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4Cl)n23)ccn1,POXUGGHZQBWENH-UHFFFAOYSA-N,2,1,0.465,97,143,450.289,4.529,5,0.364,0.76,1.0,0.7536409430470838,0.7986772668083065,0.7284113494619971,0.781749023370571,0.7656196456719896
EOS-2-00708,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)nc1,QUYVVVHOPKQJTC-UHFFFAOYSA-N,2,1,0.512,73,19,450.289,4.529,5,0.389,0.74,1.0,0.8382821602357617,0.8184240285107258,0.6479936262079364,0.7339370159687478,0.759659207730793
EOS-2-00709,Clc1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccc4)n23)cn1,CNZRRPXWNWNKSD-UHFFFAOYSA-N,2,1,0.449,97,700,450.289,4.529,5,0.364,0.65,1.0,0.6870759372215749,0.7944452059488726,0.5714224521965595,0.6815845384140908,0.6836320334452743
EOS-2-00710,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)nc1,MCTNUQDBQISIDG-UHFFFAOYSA-N,2,1,0.553,72,613,450.289,4.529,5,0.389,0.7,1.0,0.5513158796518401,0.7013398670413269,0.7100866972791446,0.7770457816462203,0.684947056404633
EOS-2-00711,Clc1ccc(Cl)c(COc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)c1,YZQHGKFEDPQUEH-UHFFFAOYSA-N,2,1,0.438,59,160,450.289,4.529,5,0.389,0.75,1.0,0.5538688232472072,0.5950928654650127,0.837528270851895,0.8801915564389007,0.7166703790007539
EOS-2-00712,Clc1cncc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)c1,GYOMQHPWPDBAMO-UHFFFAOYSA-N,2,1,0.5,55,939,450.289,4.529,5,0.364,0.75,1.0,0.7739102871633199,0.7432064286203824,0.7958330477691727,0.8332533753683777,0.7865507847303131
EOS-2-00713,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)nn1,DLALWQIUERQQMM-UHFFFAOYSA-N,2,1,0.524,72,613,450.289,4.529,5,0.364,0.79,1.0,0.7142416558152286,0.747575560276883,0.6974247824001096,0.759903365088068,0.7297863408950722
EOS-2-00714,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5Cl)nc4)n23)nn1,MSXWRCILUSZIGX-UHFFFAOYSA-N,2,1,0.477,34,799,450.289,4.529,5,0.389,0.82,1.0,0.6533993557672538,0.7692241792886025,0.6702247961071893,0.7746641765471867,0.716878126927558
EOS-2-00715,Clc1cccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4cnccn4)n23)c1,XJOMCCCMDJXCSD-UHFFFAOYSA-N,2,1,0.489,97,401,450.289,4.529,5,0.364,0.73,1.0,0.7142502227400452,0.8403724898910288,0.6508721129463367,0.754566170927284,0.7400152491261737
EOS-2-00716,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1,VKFMSMYENNWFDX-UHFFFAOYSA-N,2,1,0.566,72,22,450.289,4.529,5,0.389,0.74,1.0,0.647385374545953,0.7692327462134192,0.7310071276814475,0.7934343088205058,0.7352648893153313
EOS-2-00717,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nc5)n4)n23)cc1,YSQHNGDJVAHEMJ-UHFFFAOYSA-N,2,1,0.561,97,539,450.289,4.529,5,0.364,0.75,1.0,0.8128126927558084,0.9451631142485094,0.6759132341854568,0.7599119320128846,0.7984502433006648
EOS-2-00718,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)nc1,KMQJDVZYEHINMD-UHFFFAOYSA-N,2,1,0.554,72,22,450.289,4.529,5,0.389,0.73,1.0,0.7266808306490302,0.7986858337331232,0.7257556027688301,0.7841049276951545,0.7588067987115346
EOS-2-00719,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)cn1,QNUBGDRCAJUSJU-UHFFFAOYSA-N,2,1,0.519,2,959,450.289,4.529,5,0.364,0.76,1.0,0.7051864162840107,0.6814131999177575,0.8290898499074772,0.8537454595298472,0.7673587314097732
EOS-2-00720,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cn1,AWJPWDNGKHZOTA-UHFFFAOYSA-N,2,1,0.518,72,613,450.289,4.529,5,0.364,0.75,1.0,0.7112260982797615,0.6863648824617915,0.757607429237201,0.8000394078541567,0.7388094544582277
EOS-2-00721,Clc1cc(COc2cncc3nnc(-c4cccc(-c5cnc(Cl)nc5)c4)n23)ccn1,AIBWXQBSTKXBTQ-UHFFFAOYSA-N,2,1,0.488,97,91,450.289,4.529,5,0.287,0.72,1.0,0.7796072921664039,0.7564937290110342,0.8105338907545747,0.8270509218011103,0.7934214584332807
EOS-2-00722,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)ccn1,VOSFAZQAIJHHNM-UHFFFAOYSA-N,2,1,0.53,97,540,450.289,4.529,5,0.364,0.68,1.0,0.8697998766362827,0.8565211431704476,0.8251319306421767,0.8553132067712974,0.851691539305051
EOS-2-00723,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nn2)cc1,VYOQXYGWAZRGIM-UHFFFAOYSA-N,2,1,0.524,54,691,450.289,4.529,5,0.364,0.78,1.0,0.7507710232335001,0.7432149955451991,0.7257641696936468,0.8153142348022754,0.7587661058186552
EOS-2-00724,Clc1cccc(COc2cncc3nnc(-c4cc(-c5ccccn5)cnc4Cl)n23)n1,IAMWXXIATCBAEZ-UHFFFAOYSA-N,2,1,0.511,24,31,450.289,4.529,5,0.364,0.69,1.0,0.512636214104585,0.6375676787060517,0.6391953944212185,0.7178226303885957,0.6268054794051128
EOS-2-00725,Clc1cncc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c1,WDONGNITINWYTQ-UHFFFAOYSA-N,2,1,0.422,46,157,450.289,4.529,5,0.364,0.76,1.0,0.6213590569529162,0.5997875402645466,0.7833938729353711,0.8332619422931944,0.709450603111507
EOS-2-00726,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cc1,UMPZTZYNYHBRKT-UHFFFAOYSA-N,2,1,0.452,73,560,450.289,4.529,5,0.389,0.76,1.0,0.5785244328695771,0.6421338496333356,0.6392039613460352,0.7572304845452676,0.6542731820985539
EOS-2-00727,Cc1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)c2)nn1,NMMZVJRKOCYHEQ-UHFFFAOYSA-N,2,1,0.438,13,995,450.289,5.051,5,0.378,0.67,1.0,0.48750085669248167,0.5856264135425947,0.7718113905832362,0.815322801727092,0.6650653656363512
EOS-2-00728,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)cn1,WLHBGAUGEYJWJP-UHFFFAOYSA-N,2,1,0.506,97,525,450.289,4.529,5,0.364,0.71,1.0,0.7236395723391131,0.7735247755465698,0.8042200671646905,0.8311716126379275,0.7831390069220753
EOS-2-00729,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nc2)cn1,AXNQCUNHJXVBRQ-UHFFFAOYSA-N,2,1,0.448,97,959,450.289,4.529,5,0.364,0.81,1.0,0.5284507573161538,0.6375762456308683,0.7127424439723117,0.7746727434720033,0.6633605475978342
EOS-2-00730,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccc(Cl)n5)n4)n23)cc1,FTHVKSMHEZNZIG-UHFFFAOYSA-N,2,1,0.541,4,539,450.289,4.529,5,0.364,0.78,1.0,0.8357292166403948,0.9484528133781098,0.596840518127613,0.706831265848811,0.7719634534987321
EOS-2-00731,Clc1cnc(COc2cncc3nnc(-c4cccnc4-c4ccccc4Cl)n23)nc1,SJOYWOILKKRJJJ-UHFFFAOYSA-N,2,1,0.465,73,210,450.289,4.529,5,0.389,0.65,1.0,0.6443098485367692,0.6961997121513261,0.5481118497704064,0.6900572270577754,0.6446696593790693
EOS-2-00732,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cn1,QFKKDJWNPWWWIY-UHFFFAOYSA-N,2,1,0.494,2,419,450.289,4.529,5,0.364,0.74,1.0,0.5001627715715167,0.6473682406963196,0.764829346857652,0.8153313686519087,0.6819229319443493
EOS-2-00733,Clc1cnc(COc2cncc3nnc(-c4cccc(-c5ccnc(Cl)c5)c4)n23)nc1,LACVMCHLTCPUEP-UHFFFAOYSA-N,2,1,0.477,97,210,450.289,4.529,5,0.364,0.68,1.0,0.6324874922897676,0.6913508327050922,0.6838119388664246,0.765060653827702,0.6931777294222465
EOS-2-00734,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)c4)n23)c(Cl)c1,NGTAEXZDXKILNQ-UHFFFAOYSA-N,2,1,0.523,59,389,450.289,4.529,5,0.389,0.71,1.0,0.7447056404632993,0.8928277705434857,0.798197519018573,0.8521177438146803,0.8219621684600096
EOS-2-00735,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)cn1,SJUJWJFYUBEJBS-UHFFFAOYSA-N,2,1,0.506,72,418,450.289,4.529,5,0.364,0.75,1.0,0.6386042766088684,0.7776283325337536,0.7385888561441984,0.8000479747789734,0.7387173600164485
EOS-2-00736,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5Cl)nc4)n23)cn1,SVUWEYBUBZSZEG-UHFFFAOYSA-N,2,1,0.461,97,700,450.289,4.529,5,0.389,0.81,1.0,0.6502638612843533,0.764880748406552,0.6921218559385923,0.7796244260160373,0.7217227229113837
EOS-2-00737,Clc1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccc4Cl)n23)nn1,NUGPFUPPEBISAI-UHFFFAOYSA-N,2,1,0.5,4,799,450.289,4.529,5,0.389,0.77,1.0,0.5843842094441779,0.6863734493866082,0.7208039202247961,0.8064474676170242,0.6995022616681515
EOS-2-00738,Clc1cc(-c2ccc(COc3cncc4nnc(-c5cccnc5)n34)nc2)cnc1Cl,GYTINRYXZZKCEB-UHFFFAOYSA-N,2,1,0.608,2,390,450.289,4.529,5,0.364,0.68,1.0,0.567567336029059,0.7154410252895621,0.7855184702899047,0.8153399355767253,0.7209666917963127
EOS-2-00739,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)cn1,RXSYPJLDXNICQV-UHFFFAOYSA-N,2,1,0.512,55,959,450.289,4.529,5,0.364,0.79,1.0,0.810165512987458,0.7944537728736892,0.7894506887807553,0.817233225961209,0.8028258001507778
EOS-2-00740,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)cn1,UOIVUUPDCMLKFF-UHFFFAOYSA-N,2,1,0.536,97,992,450.289,4.529,5,0.287,0.78,1.0,0.9029110410527037,0.7821174011376876,0.7718199575080529,0.7863066273730381,0.8107887567678705
EOS-2-00741,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nc4)n23)c1,PKMHJTACUJTYNC-UHFFFAOYSA-N,2,1,0.488,2,879,450.289,4.529,5,0.389,0.74,1.0,0.7966297717771229,0.7863751627715715,0.7834024398601878,0.835232335001028,0.8004099273524776
EOS-2-00742,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)nc1,MXSYRJBXPYHUFR-UHFFFAOYSA-N,2,1,0.512,4,390,450.289,4.529,5,0.364,0.76,1.0,0.6242032759920499,0.8030549653896237,0.7461448838324994,0.7934428757453225,0.741711500239874
EOS-2-00743,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)cn1,XICBXPKDCRGJSM-UHFFFAOYSA-N,2,1,0.488,97,31,450.289,4.529,5,0.364,0.78,1.0,0.5704715235419094,0.7604602152011514,0.7178740319374958,0.770012336371736,0.7047045267630732
EOS-2-00744,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)nc1,PYOLYTOWUHPTAO-UHFFFAOYSA-N,2,1,0.518,2,419,450.289,4.529,5,0.364,0.71,1.0,0.5284593242409704,0.7013484339661435,0.789459255705572,0.8352409019258447,0.7136269789596328
EOS-2-00745,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)nn4)n23)cc1,LBNSBDYXVLKNEN-UHFFFAOYSA-N,2,1,0.568,34,232,450.289,4.529,5,0.364,0.75,1.0,0.7966383387019396,0.930830649030224,0.7257727366184634,0.8043057364128572,0.814386865190871
EOS-2-00746,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)nc1,RGDYWZNKSPBOSV-UHFFFAOYSA-N,2,1,0.53,2,162,450.289,4.529,5,0.389,0.67,1.0,0.5487886368309232,0.6668151600301556,0.7438061133575492,0.8064560345418409,0.6914664861901172
EOS-2-00747,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cn1,YBHSBLHMELNYRK-UHFFFAOYSA-N,2,1,0.556,72,992,450.289,4.529,5,0.364,0.77,1.0,0.8761479679254335,0.7776368994585704,0.7718285244328695,0.8064646014666575,0.8080194983208827
EOS-2-00748,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)nc1,OSFQVSRLQDQQKO-UHFFFAOYSA-N,2,1,0.517,2,422,450.289,4.529,5,0.389,0.65,1.0,0.5126447810294017,0.657057432663971,0.7486721266534165,0.8172417928860256,0.6839040333082038
EOS-2-00749,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)c(Cl)c1,GLGCGKQPRLPHJT-UHFFFAOYSA-N,2,1,0.561,24,401,450.289,4.529,5,0.389,0.73,1.0,0.6413713933246522,0.8928363374683024,0.6566376533479542,0.7495973545336166,0.7351106846686314
EOS-2-00750,Clc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)c1,CLNORZJFOCLJOA-UHFFFAOYSA-N,2,1,0.549,72,992,450.289,4.529,5,0.364,0.55,1.0,0.7966469056267562,0.760468782125968,0.7958416146939894,0.8352494688506613,0.7970516928243436
EOS-2-00751,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cncnc5)ccc4Cl)n23)cc1,QLSFZRKAVXOCCA-UHFFFAOYSA-N,2,1,0.549,34,817,450.289,4.529,5,0.389,0.76,1.0,0.7826142827770544,0.9279007607429237,0.7438146802823659,0.8192378863683092,0.8183919025426633
EOS-2-00752,Clc1cncc(COc2cncc3nnc(-c4cncc(-c5ccnc(Cl)c5)c4)n23)c1,ZHDJCQFNYJNHHO-UHFFFAOYSA-N,2,1,0.455,2,419,450.289,4.529,5,0.364,0.7,1.0,0.6534079226920705,0.6814217668425742,0.827136591049277,0.8637173600164485,0.7564209101500925
EOS-2-00753,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)c5)nc4)n23)cc1,IPQDVVHBSACYNQ-UHFFFAOYSA-N,2,1,0.64,73,82,450.289,4.529,5,0.389,0.76,1.0,0.9530789527791104,0.9575080529093277,0.7152868206428621,0.7979062435748064,0.8559450174765266
EOS-2-00754,Clc1ccnc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)c1,AIZHKNMTJVJBHJ-UHFFFAOYSA-N,2,1,0.529,2,419,450.289,4.529,5,0.364,0.7,1.0,0.4826519772462477,0.6814303337673908,0.7935114111438558,0.8430282365841958,0.7001554896854225
EOS-2-00755,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)c5)nn4)n23)cc1,NBAORHWJMYXRBZ-UHFFFAOYSA-N,2,1,0.584,34,929,450.289,4.529,5,0.389,0.83,1.0,0.6960712082790761,0.9515883078610102,0.6358371598930848,0.7817575902953876,0.7663135665821397
EOS-2-00756,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccccn5)n34)ncc2Cl)cn1,ACNMVIFRELELES-UHFFFAOYSA-N,2,1,0.54,46,157,450.289,4.529,5,0.364,0.77,0.996,0.5409413336988554,0.7200671646905626,0.7231855253238297,0.7863151942978548,0.6926273045027757
EOS-2-00757,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cn1,RARVRANUENWBPP-UHFFFAOYSA-N,2,1,0.444,46,157,450.289,4.529,5,0.364,0.78,1.0,0.45144267013912687,0.5470067164690563,0.7152953875676787,0.779632992940854,0.6233444417791789
EOS-2-00758,Clc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)nc1,QZNOAOBQJJGNII-UHFFFAOYSA-N,2,1,0.467,46,157,450.289,4.529,5,0.364,0.75,1.0,0.4752587211294634,0.5904410252895621,0.7438232472071825,0.802172572133507,0.6529238914399287
EOS-2-00759,Clc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c1,RJISSFSQTLWWDX-UHFFFAOYSA-N,2,1,0.467,46,157,450.289,4.529,5,0.364,0.74,1.0,0.4259132341854568,0.57507196216846,0.7486806935782332,0.8108080323487081,0.6401184805702145
EOS-2-00760,Clc1ccc(OCc2cncc3nnc(-c4ccnc(-c5cccc(Cl)n5)c4)n23)nc1,BSKMXUGXVSNULY-UHFFFAOYSA-N,2,1,0.404,24,912,450.289,4.529,5,0.364,0.75,1.0,0.46767699266671237,0.5285278596395038,0.6594647385374546,0.7178311973134124,0.5933751970392708
EOS-2-00761,Clc1ccc(-c2nnc3cncc(OCc4nncc(-c5ccccc5Cl)n4)n23)cc1,VXPFLURQCGYCKN-UHFFFAOYSA-N,2,1,0.57,34,372,450.289,4.529,5,0.389,0.77,1.0,0.8720529778630662,0.9566342265780275,0.6358457268179014,0.7979148104996231,0.8156119354396546
EOS-2-00762,Clc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)cn1,IEHIMNJKGQJCQJ-UHFFFAOYSA-N,2,1,0.448,46,157,450.289,4.529,5,0.364,0.78,1.0,0.6413799602494689,0.5803491878555274,0.787368926050305,0.8231358371598931,0.7080584778287986
EOS-2-00763,COc1cc(-c2nnc3cncc(-c4cc(Cl)nc(-c5cncnc5)c4)n23)ccc1Cl,WOZSTSODYXNYPK-UHFFFAOYSA-N,2,1,0.345,96,478,450.289,4.626,5,0.369,0.74,1.0,0.4604636419710781,0.5421835377972722,0.8406808991844288,0.8485539030909465,0.6729704955109314
EOS-2-00764,Clc1cccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nn5)nc4)n23)c1,LLNOHKMEDRWCFU-UHFFFAOYSA-N,2,1,0.547,43,389,450.289,4.529,5,0.389,0.75,1.0,0.6595332739359879,0.7863837296963881,0.7051093139606607,0.7796415598656706,0.7326669693646768
EOS-2-00765,Clc1ccc(-c2nnc3cncc(OCc4ncnnc4-c4cccc(Cl)c4)n23)cc1,PFIXRHPNISYDSH-UHFFFAOYSA-N,2,1,0.542,34,372,450.289,4.529,5,0.389,0.73,1.0,0.8761565348502501,0.9515968747858269,0.6594733054622712,0.8085463641971078,0.823943269823864
EOS-2-00766,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nc5)cn4)n23)cc1,YOUPLOPRLBJNOU-UHFFFAOYSA-N,2,1,0.568,97,232,450.289,4.529,5,0.364,0.71,1.0,0.782622849701871,0.9340518127612912,0.7412531697621821,0.8064731683914742,0.8161002501542046
EOS-2-00767,Cc1cnc(-c2ccnc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)c2)cn1,FTLSBRIVEHTFQL-UHFFFAOYSA-N,2,1,0.413,13,110,450.289,5.051,5,0.378,0.71,1.0,0.5513244465766568,0.5997961071893633,0.7360958810225482,0.7841134946199713,0.6678324823521349
EOS-2-00768,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)c(Cl)c1,KJVLFGHOQZTDKV-UHFFFAOYSA-N,2,1,0.536,73,401,450.289,4.529,5,0.389,0.72,1.0,0.6658385306010555,0.892844904393119,0.7208124871496128,0.7957045438969228,0.7688001165101775
EOS-2-00769,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nn5)c4)n23)cc1,KIRTTYMUGBGOAT-UHFFFAOYSA-N,2,1,0.62,43,389,450.289,4.529,5,0.389,0.82,1.0,0.9330409156329244,0.9536957713659104,0.7310156946062641,0.8021811390583237,0.8549833801658556
EOS-2-00770,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cnn2)cc1,MSODKKUMQOLMHE-UHFFFAOYSA-N,2,1,0.529,34,10,450.289,4.529,5,0.389,0.53,1.0,0.5101089712836681,0.7475841272016996,0.7555513672812008,0.8392159550407786,0.7131151052018367
EOS-2-00771,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1Cl,YWTZSHWNLFVORA-UHFFFAOYSA-N,2,1,0.553,34,268,450.289,4.529,5,0.389,0.74,1.0,0.6960797752038929,0.9108354465081214,0.7208210540744294,0.7863237612226716,0.7785150092522788
EOS-2-00772,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncc(Cl)c5)n4)n23)cc1,ASCVFFIMSJGPCH-UHFFFAOYSA-N,2,1,0.542,73,401,450.289,4.529,5,0.389,0.75,1.0,0.7796158590912207,0.9308392159550408,0.7257813035432801,0.8172503598108423,0.813371684600096
EOS-2-00773,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)nn4)n23)cc1,GIENWNIGSQIEJL-UHFFFAOYSA-N,2,1,0.561,34,268,450.289,4.529,5,0.364,0.76,1.0,0.802455280652457,0.9356109930779247,0.6452779110410527,0.7545747378521006,0.7844797306558838
EOS-2-00774,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,YWLKQAOYRDEXEN-UHFFFAOYSA-N,2,1,0.482,2,419,450.289,4.529,5,0.364,0.71,1.0,0.6839832773627579,0.7432235624700158,0.8358748543622782,0.8603933931875813,0.7808687718456583
EOS-2-00775,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nn2)cc1,ZOGCVFNXYYMUCW-UHFFFAOYSA-N,2,1,0.466,19,691,450.289,4.529,5,0.364,0.84,1.0,0.5812572818860942,0.7013570008909602,0.6480021931327531,0.7674679597011856,0.6745211089027483
EOS-2-00776,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)nc1,XUAAQKUGRJZZHJ-UHFFFAOYSA-N,2,1,0.451,46,267,450.289,4.529,5,0.364,0.74,1.0,0.49001096566376534,0.5193869508601192,0.6647076965252553,0.7470187101637996,0.6052810808032348
EOS-2-00777,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5ccnc(Cl)c5)c4)n23)ccn1,IYCDLUWCXVSNCN-UHFFFAOYSA-N,2,1,0.494,75,183,450.289,4.529,5,0.364,0.71,1.0,0.7051949832088273,0.6962082790761428,0.8083407580015077,0.8352580357754781,0.761250514015489
EOS-2-00778,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccnc(Cl)c5)n4)n23)cc1,NNXHMUMHSROXSV-UHFFFAOYSA-N,2,1,0.549,97,335,450.289,4.529,5,0.364,0.79,1.0,0.8562812692755808,0.9473990816256597,0.6812504283462408,0.7674765266260023,0.8131018264683708
EOS-2-00779,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5Cl)nn4)n23)cc1,FOMOBSIRVVDOCU-UHFFFAOYSA-N,2,1,0.562,34,534,450.289,4.529,5,0.389,0.65,1.0,0.8049482557741073,0.9108440134329381,0.7284199163868138,0.8212596806250428,0.8163679665547255
EOS-2-00780,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)nc1,PYEGUPCPUUIYEG-UHFFFAOYSA-N,2,1,0.5,72,22,450.289,4.529,5,0.389,0.74,1.0,0.7385374545952985,0.7944623397985059,0.692130422863409,0.767485093550819,0.748153827702008
EOS-2-00781,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)n4)n23)cc1,HCTRODYKBZKBMJ-UHFFFAOYSA-N,2,1,0.554,34,268,450.289,4.529,5,0.389,0.75,1.0,0.7385460215201152,0.9241313138235899,0.6480107600575697,0.7418699883489822,0.7631395209375643
EOS-2-00782,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)n5)nc4)n23)cc1,NJAXFCMISUWPIN-UHFFFAOYSA-N,2,1,0.62,24,232,450.289,4.529,5,0.364,0.83,1.0,0.9570111712699609,0.9526934411623603,0.7284284833116305,0.77468131039682,0.8532036015351929
EOS-2-00783,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)nc1,PNVDRMOYNWLLLL-UHFFFAOYSA-N,2,1,0.566,4,22,450.289,4.529,5,0.364,0.74,1.0,0.7536495099719005,0.7944709067233225,0.7257898704680967,0.7624134740593517,0.7590809403056679
EOS-2-00784,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cc1,YFNIKMAKBXIHDY-UHFFFAOYSA-N,2,1,0.494,4,137,450.289,4.529,5,0.389,0.74,1.0,0.5487972037557398,0.7062058803371941,0.7337742443972312,0.8231444040847098,0.7029804331437187
EOS-2-00785,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)cc1,WRVBDFRSYGUBJC-UHFFFAOYSA-N,2,1,0.561,97,401,450.289,4.529,5,0.364,0.76,1.0,0.7593893495990679,0.9279093276677404,0.7310242615310808,0.8085549311219244,0.8067194674799534
EOS-2-00786,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cnn2)cc1,IZNVBDGCIMUMMM-UHFFFAOYSA-N,2,1,0.554,43,992,450.289,4.529,5,0.364,0.55,1.0,0.6324960592145843,0.7648893153313686,0.8004763210198067,0.857000890960181,0.7637156466314851
EOS-2-00787,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)c(Cl)c1,YHFSADAIEKIJDM-UHFFFAOYSA-N,2,1,0.566,34,10,450.289,4.529,5,0.389,0.74,1.0,0.632504626139401,0.884723459666918,0.7555599342060174,0.819246453293126,0.7730086183263656
EOS-2-00788,Clc1ccc(COc2cncc3nnc(-c4cccnc4-c4ccnc(Cl)c4)n23)cn1,KBYQZDWFGSFKSZ-UHFFFAOYSA-N,2,1,0.483,97,992,450.289,4.529,5,0.364,0.69,0.996,0.6750736755534233,0.652491261736687,0.7284370502364471,0.7817661572202043,0.7094420361866904
EOS-2-00789,Clc1cncc(COc2cncc3nnc(-c4ccnc(-c5ccnc(Cl)c5)c4)n23)c1,LXXITORNBLJFCJ-UHFFFAOYSA-N,2,1,0.483,75,183,450.289,4.529,5,0.364,0.72,1.0,0.7327804811184977,0.662009115208005,0.7982060859433897,0.837168460009595,0.7575410355698718
EOS-2-00790,Clc1cncc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)c1,CQHPGVYWOWPAOK-UHFFFAOYSA-N,2,1,0.482,2,419,450.289,4.529,5,0.364,0.74,1.0,0.705203550133644,0.7245562332944966,0.8271451579740936,0.8621496127749982,0.7797636385443081
EOS-2-00791,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnc5)n4)n23)c(Cl)c1,SBKBTWKJNHMDQD-UHFFFAOYSA-N,2,1,0.506,97,335,450.289,4.529,5,0.389,0.82,1.0,0.7207096840518128,0.9108525803577547,0.6594818723870879,0.7520560619560003,0.7607750496881639
EOS-2-00792,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)n5)nc4)n23)cc1,GMRAJJIVRQAJOT-UHFFFAOYSA-N,2,1,0.615,97,232,450.289,4.529,5,0.364,0.73,1.0,0.9585446508121445,0.9620399561373449,0.6480193269823864,0.7418785552737989,0.8276206223014186
EOS-2-00793,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)nc1,RJCXPRMFKAEKMZ-UHFFFAOYSA-N,2,1,0.553,97,525,450.289,4.529,5,0.364,0.73,1.0,0.5646631485162086,0.7245648002193132,0.7555685011308341,0.8021897059831403,0.711746538962374
EOS-2-00794,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nc5)ncn4)n23)cc1,NLDKJXLMDUEPQY-UHFFFAOYSA-N,2,1,0.548,4,675,450.289,4.529,5,0.364,0.73,1.0,0.8307946679459941,0.9384380782674251,0.769498320882736,0.8231529710095264,0.8404710095264204
EOS-2-00795,Clc1cncc(COc2cncc3nnc(-c4cccnc4-c4ccnc(Cl)c4)n23)c1,WQEZMMKCZIXICS-UHFFFAOYSA-N,2,1,0.456,97,89,450.289,4.529,5,0.364,0.73,0.938,0.6325131930642177,0.6764443835240902,0.7257984373929134,0.7909070659995888,0.7064157699952025
EOS-2-00796,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccc(Cl)nc5)n4)n23)cc1,WVPAWFFPKUGEMO-UHFFFAOYSA-N,2,1,0.561,97,335,450.289,4.529,5,0.364,0.79,1.0,0.887533411006785,0.9495236789801933,0.6784747447056405,0.7650692207525187,0.8201502638612843
EOS-2-00797,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5cncnc5Cl)cc4)n23)n1,XISZSBVUYLRKLX-UHFFFAOYSA-N,2,1,0.512,97,31,450.289,4.529,5,0.287,0.72,1.0,0.6929785484202591,0.7735333424713865,0.7718370913576863,0.8130954012747584,0.7628610958810226
EOS-2-00798,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(Cl)c4)n23)c1,KFHDQZFBCJRPOJ-UHFFFAOYSA-N,2,1,0.593,4,817,450.289,4.529,5,0.389,0.67,1.0,0.6159447604687821,0.777645466383387,0.8290984168322939,0.8732866150366665,0.7739938146802823
EOS-2-00799,Clc1cc(CCc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)nc(Cl)n1,RZSZJUHLNDZHCX-UHFFFAOYSA-N,2,1,0.313,85,580,450.293,3.525,5,0.296,0.59,1.0,0.2750068535398533,0.2544976355287506,0.2930916318278391,0.42741244602837364,0.31250214173120416
EOS-2-00800,Cc1cc(-c2nnc3cncc(-c4cncc(-c5cccc(Cl)c5F)c4)n23)ccc1Cl,QDCMRWQHBNTKNP-UHFFFAOYSA-N,2,1,0.337,45,46,450.304,6.275,5,0.325,0.79,1.0,0.4052840792269207,0.6141114385580152,0.9804931121924474,0.9906106504009321,0.7476248200945789
EOS-2-00801,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4-n4cccc4)n23)cc1,VKGQVZBMFXERIB-UHFFFAOYSA-N,2,1,0.716,91,660,450.329,5.51,5,0.342,0.74,1.0,0.9799276951545474,0.9728856829552464,0.902645466383387,0.9362792132136248,0.9479345144267014
EOS-2-00802,Cn1c(Cl)ccc1-c1cccc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)c1,YKGBPTLTLRIQSG-UHFFFAOYSA-N,2,1,0.6,43,709,450.329,5.683,5,0.346,0.79,1.0,0.7938797889109726,0.8223990816256597,0.9372644095675416,0.9517682132821602,0.8763278733465836
EOS-2-00803,OCc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)cn2)cn1,OQWFRZYUPUUVKH-UHFFFAOYSA-N,2,1,0.446,13,573,450.38,3.95,5,0.405,0.77,1.0,0.8179442807209923,0.8714190254266329,0.9322698923994243,0.9006665067507368,0.8805749263244466
EOS-2-00804,COc1ncc(-c2ccc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)cc2F)cn1,YFFHRJAAOIFMBX-UHFFFAOYSA-N,2,1,0.483,13,145,450.38,4.467,5,0.391,0.74,1.0,0.9283633746830238,0.8952864779658694,0.9144849564800219,0.8732951819614831,0.9028574977725996
EOS-2-00805,COc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2F)cn1,UVXTZIMCTVFMBN-UHFFFAOYSA-N,2,1,0.518,13,145,450.38,4.467,5,0.391,0.77,1.0,0.9044702213693373,0.887404907134535,0.9117606743883215,0.87461448838325,0.894562572818861
EOS-2-00806,COc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ccc(F)nc1,JPAUXJXADFVSRR-UHFFFAOYSA-N,2,1,0.404,13,145,450.38,4.467,5,0.365,0.75,1.0,0.7507795901583167,0.7776540333082037,0.8789236515660338,0.8371770269344116,0.8111335754917415
EOS-2-00807,COc1nc(-c2nnc3cncc(Oc4cccc(F)c4F)n23)ccc1-c1cncc(F)c1,OQTWHKCUAITFCU-UHFFFAOYSA-N,2,1,0.378,13,573,450.38,4.467,5,0.391,0.71,0.997,0.8179528476458091,0.7432321293948324,0.8802772256870673,0.8430368035090124,0.8211247515591803
EOS-2-00808,Fc1cnc(COc2cncc3nnc(-c4ccc(Oc5ccncc5)cc4F)n23)cc1F,UAHREYWHINYHMG-UHFFFAOYSA-N,2,1,0.484,59,469,450.38,4.37,5,0.38,0.64,1.0,0.8179614145706258,0.906826125693921,0.9239771091768899,0.9006750736755534,0.8873599307792475
EOS-2-00809,COc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5cncc(F)c5F)c4)n23)cn1,VZUWGXYIPNYPQP-UHFFFAOYSA-N,2,1,0.461,13,995,450.38,4.467,5,0.391,0.76,1.0,0.9012576245630869,0.9068346926187376,0.9364419847851415,0.8939586046192859,0.9096232266465629
EOS-2-00810,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)cc1,HMKHDGLVDGHKMZ-UHFFFAOYSA-N,2,1,0.671,1,417,450.38,4.781,5,0.368,0.81,1.0,0.9257418956891235,0.9637190734014118,0.9400572270577754,0.9239856761017066,0.9383759680625043
EOS-2-00811,Cc1ncc(-c2cnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cn2)cn1,ZFLXQNBUXSDGEO-UHFFFAOYSA-N,2,1,0.449,51,48,450.384,3.343,5,0.376,0.66,1.0,0.812821259680625,0.7245733671441299,0.7763261599616201,0.7152268521691454,0.7572369097388801
EOS-2-00812,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1,DOMVEBVVKQEXCB-UHFFFAOYSA-N,2,1,0.519,27,969,450.384,3.636,5,0.4,0.76,1.0,0.9257504626139401,0.8653707765060654,0.9330751833321911,0.8553217736961141,0.8948795490370778
EOS-2-00813,FC(F)(F)c1nccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)n1,QMVVWBIQFFGXOC-UHFFFAOYSA-N,2,1,0.511,27,343,450.384,3.636,5,0.4,0.75,1.0,0.8308032348708108,0.8030635323144404,0.8375368377767116,0.672477897333973,0.785970375573984
EOS-2-00814,Fc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cnn1,CEKWRZCDKBURQZ-UHFFFAOYSA-N,2,1,0.442,27,69,450.384,3.694,5,0.361,0.67,0.975,0.8207113974367761,0.8145689123432253,0.8144832430950586,0.7367469673086149,0.7966276300459187
EOS-2-00815,FC(F)(F)c1ccc(-c2cc(-c3nnc4cncc(OCc5ccccn5)n34)ncn2)cn1,FDWWFAABJPVCHZ-UHFFFAOYSA-N,2,1,0.54,27,238,450.384,3.636,5,0.4,0.73,1.0,0.5617503940785415,0.5656312110204921,0.8639743677609485,0.7126139401000616,0.675992478240011
EOS-2-00816,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cn1,IXQDIKBPQNOGSV-UHFFFAOYSA-N,2,1,0.534,27,69,450.384,3.636,5,0.4,0.65,1.0,0.6991038996641765,0.7386231238434652,0.8521948461380303,0.6985470495510931,0.7471172297991913
EOS-2-00817,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)cn1,LLXUJOMWLQIKDK-UHFFFAOYSA-N,2,1,0.536,27,69,450.384,3.636,5,0.4,0.74,1.0,0.7385545884449318,0.7776626002330204,0.8876019464053183,0.7443115619217325,0.7870326742512507
EOS-2-00818,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1-c1cncnc1,AYFWNLWZBDKTJO-UHFFFAOYSA-N,2,1,0.478,27,69,450.384,3.694,5,0.386,0.7,1.0,0.6839918442875745,0.830049345486944,0.7982146528682065,0.715235419093962,0.7568728154341717
EOS-2-00819,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1-c1cncnn1,FJNHCYQUKIRYHW-UHFFFAOYSA-N,2,1,0.489,27,69,450.384,3.694,5,0.386,0.72,1.0,0.8761651017750668,0.8437735590432458,0.8816650675073675,0.8270594887259269,0.8571658042629018
EOS-2-00820,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nn2)nc1,IJUPZFBROFZSHP-UHFFFAOYSA-N,2,1,0.494,27,51,450.384,3.694,5,0.386,0.74,1.0,0.8207199643615928,0.8437821259680625,0.7310328284558975,0.7230398876019464,0.7796437015968747
EOS-2-00821,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)ccn1,CWELGKRLFOYSJY-UHFFFAOYSA-N,2,1,0.468,51,969,450.384,3.694,5,0.361,0.67,1.0,0.7207182509766294,0.8597508738263313,0.7894678226303886,0.7039527791104105,0.76847243163594
EOS-2-00822,Fc1ncccc1-c1cnc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,RPKYXRPIZNMOGB-UHFFFAOYSA-N,2,1,0.472,27,969,450.384,3.694,5,0.361,0.71,1.0,0.8077325063395243,0.8739548351723665,0.7672452196559523,0.6845229936262079,0.7833638886985127
EOS-2-00823,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)nc1,ZBGXRQWLASSKFN-UHFFFAOYSA-N,2,1,0.506,51,82,450.384,3.694,5,0.386,0.73,1.0,0.9283719416078404,0.9108611472825714,0.7310413953807141,0.6845315605510246,0.8137015112055376
EOS-2-00824,N=c1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)[nH]1,JQAKJUFSVYVVQG-UHFFFAOYSA-N,2,1,0.417,59,109,450.384,3.052,5,0.398,0.6,1.0,0.5231392639298198,0.43894352683160853,0.8358834212870948,0.8131039681995751,0.6527675450620245
EOS-2-00825,Fc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncn1,NGJGGAVEQNWKJT-UHFFFAOYSA-N,2,1,0.489,27,354,450.384,3.694,5,0.361,0.64,0.993,0.7142587896648619,0.8070128846549243,0.7916095538345556,0.7013570008909602,0.7535595572613254
EOS-2-00826,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cn1,QKPNQELEJZFGBB-UHFFFAOYSA-N,2,1,0.452,27,69,450.384,3.694,5,0.361,0.65,1.0,0.7019309848536769,0.8145774792680419,0.7958501816188062,0.7068398327736276,0.754799619628538
EOS-2-00827,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nn2)ccc1=O,CVYNSMJPFQLZQO-UHFFFAOYSA-N,2,1,0.36,61,121,450.384,3.028,5,0.416,0.76,0.82,0.4372986772668083,0.4609519566856281,0.8423343156740456,0.772308272222603,0.6282233054622712
EOS-2-00828,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(F)c5)nc4)n23)ncc1F,SGYQTLKOURYOAU-UHFFFAOYSA-N,2,1,0.396,51,379,450.384,3.343,5,0.376,0.72,0.995,0.7710832019738195,0.8300579124117606,0.6065040093208142,0.5651343293811254,0.69319486327188
EOS-2-00829,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)c2)nn1,LHTUESAZBCVBPP-UHFFFAOYSA-N,2,1,0.459,87,838,450.384,3.077,5,0.389,0.67,1.0,0.7207268179014461,0.752038928106367,0.6892519361250086,0.6785775478034405,0.7101488074840656
EOS-2-00830,Fc1ncncc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,UHWKQCCVZZTZCF-UHFFFAOYSA-N,2,1,0.467,2,69,450.384,3.694,5,0.361,0.72,0.999,0.8405438283873621,0.8184325954355425,0.8710677815091494,0.7909156329244055,0.8302399595641148
EOS-2-00831,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c(F)nc1F,BCIOKCWFBHMZMQ-UHFFFAOYSA-N,2,1,0.436,54,411,450.384,3.077,5,0.364,0.66,0.997,0.8179699814954424,0.777671167157837,0.6093653622095813,0.6053132067712974,0.7025799294085395
EOS-2-00832,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ccn2)cn1,YZRRKXIAAGUFSS-UHFFFAOYSA-N,2,1,0.511,75,530,450.384,3.077,5,0.389,0.6,1.0,0.8653622095812488,0.8334504146391611,0.70002056061956,0.6785861147282571,0.7693548248920568
EOS-2-00833,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5c(F)ncc(F)c5F)n4)n23)cn1,OBKGGCNXHLFQDE-UHFFFAOYSA-N,2,1,0.436,73,85,450.384,3.343,5,0.376,0.72,1.0,0.7142673565896785,0.7944794736481393,0.6812589952710575,0.6261308340758002,0.704034164896169
EOS-2-00834,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)F)nc5)n34)ncn2)c1,JTOMWQTVURIUDR-UHFFFAOYSA-N,2,1,0.457,46,395,450.384,3.694,5,0.386,0.69,0.195,0.744714207388116,0.6190202864779659,0.8196833664587759,0.7443201288465492,0.7319344972928518
EOS-2-00835,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cn1,VEQHPGJWAWWXFN-UHFFFAOYSA-N,2,1,0.541,27,69,450.384,3.636,5,0.4,0.77,1.0,0.7966554725515729,0.7986944006579398,0.87517990542115,0.7311698992529642,0.8004249194709068
EOS-2-00836,Fc1cnc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1-c1cncnc1,YLLINFWRTCWLSN-UHFFFAOYSA-N,2,1,0.484,51,343,450.384,3.694,5,0.386,0.76,1.0,0.9029196079775204,0.895295044890686,0.7763347268864369,0.7339455828935645,0.8271237406620519
EOS-2-00837,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)c(F)c(F)n5)n34)c2)cn1,CQRQTPZRJWTUON-UHFFFAOYSA-N,2,1,0.435,46,720,450.384,3.343,5,0.376,0.58,1.0,0.5488057706805565,0.5904495922143788,0.6838205057912412,0.6085343705023645,0.6079025597971353
EOS-2-00838,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccncc5)c4)n23)cn1,KRSOOCSZKITOEU-UHFFFAOYSA-N,2,1,0.54,27,69,450.384,3.636,5,0.4,0.51,1.0,0.8259372215749434,0.7776797340826537,0.9098245493797547,0.7934514426701391,0.8267232369268727
EOS-2-00839,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1,PZSPQHIWARFWHE-UHFFFAOYSA-N,2,1,0.483,27,343,450.384,3.636,5,0.4,0.66,1.0,0.8653707765060654,0.8106966623260914,0.9364505517099582,0.8588170790213145,0.8678337673908574
EOS-2-00840,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nn2)c1,OIFWHLWQQNKEDG-UHFFFAOYSA-N,2,1,0.483,27,343,450.384,3.694,5,0.386,0.7,1.0,0.8233757110547598,0.8503872250017134,0.7810294016859708,0.7700209032965527,0.8062033102597492
EOS-2-00841,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)n5)n34)nn2)c1,KOHRHMLKRCNUNI-UHFFFAOYSA-N,2,1,0.408,54,411,450.384,3.077,5,0.364,0.66,0.385,0.7910184360222055,0.7339798505928312,0.5968490850524296,0.620613734493866,0.6856152765403332
EOS-2-00842,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)nn2)c1,AXSWKBCBULVTGN-UHFFFAOYSA-N,2,1,0.417,54,411,450.384,3.077,5,0.389,0.63,0.895,0.7327890480433144,0.7013655678157769,0.6358542937427181,0.6639024055924885,0.6834778287985745
EOS-2-00843,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5c(F)cccc5F)ncn4)n23)nn1,LBMUBZYSTLDTSG-UHFFFAOYSA-N,2,1,0.426,44,130,450.384,3.077,5,0.389,0.64,0.767,0.6627373038174217,0.6092796929614146,0.5680128161195257,0.6233208827359331,0.6158376739085738
EOS-2-00844,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)cc1,PGMHKRSUXKCJOJ-UHFFFAOYSA-N,2,1,0.472,27,343,450.384,3.636,5,0.4,0.71,1.0,0.9164296484134056,0.859759440751148,0.9155815228565554,0.8270680556507436,0.8797096669179632
EOS-2-00845,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cnn2)nc1,HJJJMWUVGGAXTF-UHFFFAOYSA-N,2,1,0.512,27,51,450.384,3.694,5,0.386,0.73,0.997,0.9107069426358714,0.8565297100952642,0.7894763895552053,0.7496059214584333,0.8265797409361936
EOS-2-00846,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)nn2)cn1,IIBVBFWJKJIOKE-UHFFFAOYSA-N,2,1,0.423,54,411,450.384,3.077,5,0.364,0.65,0.991,0.7416900829278322,0.7432406963196491,0.6452864779658694,0.6524312932629703,0.6956621376190802
EOS-2-00847,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)ncn2)nc1,NQPYMXGFVDNLEU-UHFFFAOYSA-N,2,1,0.477,44,842,450.384,3.077,5,0.389,0.54,0.8,0.8077410732643411,0.6764529504489069,0.5807261325474607,0.6175810431087657,0.6706252998423686
EOS-2-00848,Fc1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)nc1,YYGRFBJXMFFORT-UHFFFAOYSA-N,2,1,0.484,27,69,450.384,3.694,5,0.386,0.61,0.996,0.7298420259063807,0.8472688643684463,0.6946233979850592,0.6233294496607498,0.723765934480159
EOS-2-00849,Cc1ncc(-c2nnc3cncc(-c4cccc(OC(F)(F)F)c4)n23)c(-c2ncccn2)n1,BMQLCLKRCULMAC-UHFFFAOYSA-N,2,1,0.36,50,243,450.384,3.912,5,0.406,0.7,1.0,0.5704800904667261,0.6620176821328216,0.7916181207593722,0.709821122609828,0.683484253992187
EOS-2-00850,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3nccc(-c4cccnn4)n3)n12,CJVXDAMAHHHFMG-UHFFFAOYSA-N,2,1,0.436,27,51,450.384,3.694,5,0.386,0.69,0.992,0.8024638475772736,0.8874134740593517,0.7623706394352683,0.7256785004454801,0.7944816153793435
EOS-2-00851,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5ncccn5)n4)n23)ccc1C(F)F,MRPOCHQWGWFGLL-UHFFFAOYSA-N,2,1,0.523,27,242,450.384,3.694,5,0.386,0.6,1.0,0.8024724145020903,0.8768675896100336,0.7178825988623124,0.658034062093071,0.7638141662668768
EOS-2-00852,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(=O)[nH]4)n23)ccc1-c1nc(C)no1,KSKSSOOASCPREJ-UHFFFAOYSA-N,2,1,0.394,16,248,450.39,1.96,5,0.407,0.64,1.0,0.5461328901377561,0.44314131999177575,0.16989925296415598,0.10727503255431431,0.31661212391200055
EOS-2-00853,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)cc1F,BXKAIMGOMXKZBL-UHFFFAOYSA-N,2,1,0.732,57,853,450.395,5.594,5,0.328,0.79,1.0,0.9758669727914467,0.9723716674662464,0.992623877732849,0.9951082859296827,0.9839927009800562
EOS-2-00854,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cc1F,XDGAXDCDKIXBPT-UHFFFAOYSA-N,2,1,0.575,57,853,450.395,5.594,5,0.328,0.75,1.0,0.9617401137687616,0.9662720169967788,0.9919642245219656,0.9945428688917826,0.9786298060448222
EOS-2-00855,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)ccc2F)c1,AOXVWDSQLFAIHP-UHFFFAOYSA-N,2,1,0.582,57,146,450.395,5.594,5,0.328,0.78,1.0,0.9766636967993969,0.9766893975738469,0.9900280995133987,0.9939860187786992,0.9843418031663353
EOS-2-00856,Fc1ccc(F)c(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5F)n34)cc2)c1,MWRVHIGHSNHZPB-UHFFFAOYSA-N,2,1,0.571,57,671,450.395,5.594,5,0.328,0.76,1.0,0.9459427044068262,0.9604465081214447,0.9888287300390651,0.992418271537249,0.9719090535261462
EOS-2-00857,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccccc5F)n34)ccc2F)cc1F,ZLBPTBFTLIIKSN-UHFFFAOYSA-N,2,1,0.603,57,853,450.395,5.594,5,0.328,0.72,1.0,0.9860873140977314,0.9857874717291482,0.9919727914467823,0.9951168528544994,0.9897411075320404
EOS-2-00858,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c(F)c1,FNFWOIDCAFSYRE-UHFFFAOYSA-N,2,1,0.64,57,853,450.395,5.594,5,0.328,0.76,1.0,0.9827890480433144,0.9875608251661984,0.9923583030635323,0.995125419779316,0.9894583990130903
EOS-2-00859,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccc5F)c4)n23)cc1F,HTTYIHNZSQINFL-UHFFFAOYSA-N,2,1,0.671,57,853,450.395,5.594,5,0.328,0.71,1.0,0.9875608251661984,0.9860102117743814,0.9916472483037488,0.9945514358165993,0.989942430265232
EOS-2-00860,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)c(F)c1,FOHVKFIJPDEMSO-UHFFFAOYSA-N,2,1,0.595,57,853,450.395,5.594,5,0.328,0.78,1.0,0.9467137276403262,0.9662805839215955,0.9918014529504489,0.9946542389143993,0.9748625008566925
EOS-2-00861,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)cc1F,BVZFIEPJBAKVSU-UHFFFAOYSA-N,2,1,0.577,57,853,450.395,5.594,5,0.328,0.76,1.0,0.9636762387773284,0.965415324515112,0.9906020834761154,0.9938318141319992,0.9783813652251387
EOS-2-00862,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)c(F)c1,IMNUXNNECPGTFC-UHFFFAOYSA-N,2,1,0.575,57,962,450.395,5.594,5,0.328,0.74,1.0,0.9642159550407786,0.9604550750462614,0.9907991227468987,0.9942173257487492,0.977421869645672
EOS-2-00863,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)cc1F,WVSLRNHURXWBMC-UHFFFAOYSA-N,2,1,0.803,57,853,450.395,5.594,5,0.328,0.77,1.0,0.9938061133575492,0.9907134534987321,0.9930950585977657,0.9953652936741827,0.9932449797820574
EOS-2-00864,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)cc1F,XJNNKRYUBHSOSE-UHFFFAOYSA-N,2,1,0.618,57,853,450.395,5.594,5,0.328,0.76,1.0,0.9891371393324652,0.9869954081282982,0.9925039407854157,0.994739908162566,0.9908440991021863
EOS-2-00865,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccc5F)c4)n23)c(F)c1,SSWVJLCDDBTIRL-UHFFFAOYSA-N,2,1,0.605,57,671,450.395,5.594,5,0.328,0.77,1.0,0.973125556850113,0.9761668151600301,0.9900366664382153,0.9935234048385991,0.9832131108217395
EOS-2-00866,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)cc1,GVRJEXRPSBEULR-UHFFFAOYSA-N,2,1,0.667,83,528,450.395,6.409,5,0.297,0.85,1.0,0.980296072921664,0.9848536769241313,0.9981495442395998,0.9980296072921664,0.9903322253443905
EOS-2-00867,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,GRGHVBXYTFCOOV-UHFFFAOYSA-N,2,1,0.64,57,853,450.395,5.594,5,0.328,0.72,1.0,0.9891457062572819,0.9866784319100815,0.992366869988349,0.9951339867041327,0.9908312487149613
EOS-2-00868,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)c1,LROGEJFRSQGTQY-UHFFFAOYSA-N,2,1,0.588,57,853,450.395,5.594,5,0.328,0.73,1.0,0.9659636077033787,0.9645243643341787,0.9918100198752656,0.9947484750873826,0.9792616167500514
EOS-2-00869,N#Cc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)cn2)c1,ZEZURQSFFWPGBW-UHFFFAOYSA-N,2,1,0.268,10,151,450.397,3.1,6,0.397,0.79,1.0,0.03815708313343842,0.14204818038516895,0.5807346994722774,0.5962751010897128,0.33930376602014944
EOS-2-00870,Cc1ccncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)c(F)c4)n23)nc1,HXHDKWPIYQGTPG-UHFFFAOYSA-N,2,1,0.325,96,315,450.399,5.382,5,0.345,0.76,1.0,0.42592180111027345,0.632735933109451,0.991981358371599,0.9813840723733809,0.7580057912411761
EOS-2-00871,Fc1cc(-c2cncnn2)ncc1-c1cncc2nnc(-c3cnc(-c4cnccn4)nc3)n12,LZNCXVMLWAEGKY-UHFFFAOYSA-N,2,1,0.309,86,377,450.401,2.091,6,0.389,0.64,1.0,0.2620536632170516,0.3110050716194915,0.18292954561030772,0.220109999314646,0.2440245699403742
EOS-2-00872,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1-c1ncno1,DBJBBZJPZCQMJV-UHFFFAOYSA-N,2,1,0.556,91,313,450.405,3.75,5,0.37,0.62,1.0,0.8382907271605784,0.6716554725515729,0.7763432938112536,0.6724864642587897,0.7396939894455486
EOS-2-00873,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1-c1nnco1,YQNGWTWKSXKBDB-UHFFFAOYSA-N,2,1,0.58,91,925,450.405,3.75,5,0.37,0.67,1.0,0.9231889520937564,0.7735419093962032,0.771845658282503,0.6724950311836063,0.7852678877390172
EOS-2-00874,COc1cc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)ccc1-c1nnco1,RXAPKLNNEWCSBW-UHFFFAOYSA-N,2,1,0.57,91,803,450.405,3.75,5,0.37,0.69,1.0,0.9107155095606881,0.7692413131382358,0.7412617366869988,0.652439860187787,0.7684146048934274
EOS-2-00875,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1nc(C)no1,ZPSFCMJEQCNXME-UHFFFAOYSA-N,2,1,0.65,59,96,450.405,4.016,5,0.383,0.73,1.0,0.9206017407991227,0.7475926941265163,0.7486892605030498,0.6261394010006168,0.7607557741073264
EOS-2-00876,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1-c1nnco1,FJOSRNUJYGNNKX-UHFFFAOYSA-N,2,1,0.551,91,313,450.405,3.75,5,0.37,0.65,1.0,0.898130697005003,0.794488040572956,0.7672537865807689,0.6785946816530738,0.7846168014529504
EOS-2-00877,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5cnc(CO)o5)c4)n23)c1F,FEBBTOXUKAQXNX-UHFFFAOYSA-N,2,1,0.484,16,606,450.405,3.499,5,0.418,0.58,1.0,0.8543537111918306,0.7339884175176479,0.7533239668288672,0.6609725173051881,0.7506596532108835
EOS-2-00878,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c(F)c2)o1,CMGYTJOWSHLDNC-UHFFFAOYSA-N,2,1,0.654,91,660,450.405,3.75,5,0.37,0.75,1.0,0.8782125968062504,0.8334589815639778,0.6153622095812488,0.5588033719416079,0.7214592899732711
EOS-2-00879,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1-c1ncon1,HNMHQRZQMBMHLG-UHFFFAOYSA-N,2,1,0.553,88,313,450.405,3.75,5,0.37,0.59,1.0,0.902928174902337,0.7386316907682818,0.7486978274278665,0.6639109725173052,0.7635421664039477
EOS-2-00880,OCc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)n1,XWWLNPPKNJHSDN-UHFFFAOYSA-N,2,1,0.731,91,781,450.405,3.233,5,0.402,0.76,1.0,0.8653793434308821,0.6764615173737235,0.6566462202727709,0.6206223014186828,0.7047773456240148
EOS-2-00881,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(C(F)F)cc3OC)n12,QMVPRALZNLBRAZ-UHFFFAOYSA-N,2,1,0.345,61,697,450.405,4.463,5,0.374,0.68,0.917,0.6046621204852306,0.4609605236104448,0.880285792611884,0.7311784661777808,0.669271725721335
EOS-2-00882,Cc1onc(-c2cccnc2)c1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,YTKFNKKTMHLXLQ-UHFFFAOYSA-N,2,1,0.646,97,996,450.405,4.33,5,0.361,0.81,1.0,0.7416986498526489,0.7200757316153793,0.7337828113220478,0.6552241107532041,0.71269532588582
EOS-2-00883,COc1cc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)ccc1-c1ncno1,DILJMBBVGRQEGP-UHFFFAOYSA-N,2,1,0.545,91,313,450.405,3.75,5,0.37,0.69,1.0,0.8259457884997601,0.6764700842985402,0.7438318141319992,0.6524484271126036,0.7246740285107258
EOS-2-00884,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC(F)F)cn5)n34)cc2)o1,AZCXAHHMNHLEKJ-UHFFFAOYSA-N,2,1,0.65,1,744,450.405,4.33,5,0.361,0.74,1.0,0.7417072167774655,0.7776883010074703,0.8358919882119115,0.7098296895346446,0.7662792988828729
EOS-2-00885,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,NMPFFLBYLUETOQ-UHFFFAOYSA-N,2,1,0.679,36,996,450.409,3.162,5,0.372,0.76,1.0,0.5409499006236721,0.5998046741141799,0.5612278116647248,0.4892999109039819,0.5478205743266397
EOS-2-00886,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(OC(F)F)cn4)n23)cc1,LUYBZMBZBSVYSS-UHFFFAOYSA-N,2,1,0.65,36,320,450.409,3.162,5,0.372,0.72,1.0,0.515060653827702,0.5148379137824687,0.6535706942635872,0.5356983757110547,0.5547919093962032
EOS-2-00887,COc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2F)n[nH]1,XTNFIYVHGXPGCV-UHFFFAOYSA-N,2,1,0.511,47,589,450.409,2.88,5,0.402,0.52,1.0,0.79943972311699,0.6570659995887876,0.42211808649167293,0.37685045576040027,0.5638685662394627
EOS-2-00888,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cn2)cn1,SUNQUDUOVULPNY-UHFFFAOYSA-N,2,1,0.433,92,468,450.409,2.294,5,0.376,0.72,1.0,0.35604139538071417,0.3008275649372901,0.46536392296621204,0.4240285107257899,0.38656534850250157
EOS-2-00889,COc1nn(C)cc1-c1nccnc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,HRUVEDIMRZCPCB-UHFFFAOYSA-N,2,1,0.495,73,446,450.409,2.848,5,0.389,0.53,1.0,0.472765746007813,0.5377458707422383,0.33696285381399493,0.30026214789939004,0.41193415461585914
EOS-2-00890,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCOc4ccc(F)c(F)c4)n23)cc1,DYBPJZRWUBOMKV-UHFFFAOYSA-N,2,1,0.608,91,447,450.409,2.718,5,0.349,0.77,1.0,0.7654033308203687,0.6863820163114248,0.5379172092385717,0.5220683983277363,0.6279427386745253
EOS-2-00891,COc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)nn2C)cn1,OZYONZJAYVDBIG-UHFFFAOYSA-N,2,1,0.435,95,998,450.409,2.848,5,0.389,0.66,1.0,0.3990216571859365,0.2595778219450346,0.48969398944554865,0.41146939894455486,0.3899407168802686
EOS-2-00892,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)nn1,GKUNAHAPRJLACU-UHFFFAOYSA-N,2,1,0.658,89,996,450.409,3.162,5,0.372,0.78,1.0,0.4974127887053663,0.537754437667055,0.6892605030498252,0.5902525529435954,0.5786700705914605
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EOS-2-00894,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1-c1nnnn1C,RNSQAYQQXCXYLP-UHFFFAOYSA-N,2,1,0.523,36,718,450.409,2.848,5,0.389,0.74,1.0,0.6242118429168666,0.5951014323898294,0.527825371804537,0.4863528887670482,0.5583728839695703
EOS-2-00895,COc1nc(-c2nnc3cncc(OCc4nc(F)ccc4F)n23)ccc1-c1ccn(C)n1,RROSYFJVOHGOHA-UHFFFAOYSA-N,2,1,0.37,49,122,450.409,2.848,5,0.364,0.58,0.997,0.4234887944623398,0.43467719827290796,0.37469159070659996,0.27931601672263723,0.37804340004112125
EOS-2-00896,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cn1,KXVPRFFOOPTVPT-UHFFFAOYSA-N,2,1,0.642,27,399,450.409,3.162,5,0.372,0.73,1.0,0.48016756904941404,0.5701288465492427,0.7100952642039613,0.5902696867932287,0.5876653416489617
EOS-2-00897,COc1nc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1-c1cncn1C,TZFRTDRJNODYKI-UHFFFAOYSA-N,2,1,0.417,46,62,450.409,2.848,5,0.364,0.58,0.953,0.5513330135014735,0.3926735658967857,0.5178192036186691,0.3768590226852169,0.4596712014255363
EOS-2-00898,COc1cc(-c2nnc3cncc(OCc4ccnnc4)n23)ccc1-c1cnn(C(F)F)c1,JZSGDENDUODYEP-UHFFFAOYSA-N,2,1,0.467,16,375,450.409,3.428,5,0.371,0.55,1.0,0.6016636967993969,0.4969416078404496,0.7763518607360702,0.5934737166746624,0.6171077205126447
EOS-2-00899,COc1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1-c1ncnn1C,IXFDNWOISXXHQM-UHFFFAOYSA-N,2,1,0.489,16,718,450.409,2.848,5,0.364,0.65,1.0,0.6297032417243507,0.47855698718388046,0.5680213830443424,0.43044513741347407,0.5266816873415119
EOS-2-00900,COc1nc(-c2nnc3cncc(OCc4ncnn4C)n23)ccc1-c1ccc(F)c(F)c1,HNYSXDLKXZVZJK-UHFFFAOYSA-N,2,1,0.394,49,391,450.409,2.848,5,0.389,0.7,0.983,0.4875094236172983,0.4165924199849222,0.3747001576314166,0.3317284627510109,0.402632615996162
EOS-2-00901,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,MXGFEUIYJWMQCV-UHFFFAOYSA-N,2,1,0.764,43,402,450.409,3.162,5,0.372,0.76,1.0,0.6534164896168871,0.6190288534027826,0.6566547871975875,0.6085429374271811,0.6344107669111096
EOS-2-00902,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)cn1,UWSNWWJFGVKCKQ-UHFFFAOYSA-N,2,1,0.646,36,996,450.409,3.256,5,0.372,0.71,1.0,0.3351637996024947,0.47856555410869717,0.6480278939072031,0.5325885820026044,0.4985864574052498
EOS-2-00903,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,LLZYRXXYXFVTMR-UHFFFAOYSA-N,2,1,0.627,72,996,450.409,3.162,5,0.372,0.69,1.0,0.490019532588582,0.5856349804674115,0.6065125762456308,0.5290247412788706,0.5527979576451236
EOS-2-00904,Cn1ccnc1-c1ccnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,PEEAFTUAHIXSTD-UHFFFAOYSA-N,2,1,0.59,27,996,450.409,3.162,5,0.372,0.73,1.0,0.7478325680213831,0.7339969844424645,0.5178277705434857,0.43675039407854155,0.6091019292714688
EOS-2-00905,Cc1cnc(-c2cc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n(C)n2)nc1,MRJFWYUKKOHLQA-UHFFFAOYSA-N,2,1,0.605,27,996,450.409,3.684,5,0.386,0.75,1.0,0.5961208964430128,0.6620262490576383,0.5412326091426222,0.43966314851620864,0.5597607257898705
EOS-2-00906,Cn1cc(-c2nccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)cn1,YBCFJNMFGFPELR-UHFFFAOYSA-N,2,1,0.675,27,996,450.409,3.162,5,0.372,0.73,1.0,0.4727743129326297,0.6044565142896305,0.6358628606675348,0.5255123021040368,0.559651497498458
EOS-2-00907,COc1nc(-c2nnc3cncc(OCc4cnn(C(F)F)c4)n23)ccc1-c1cccnc1,IFFFECPGFJUVMM-UHFFFAOYSA-N,2,1,0.385,92,62,450.409,3.428,5,0.371,0.59,1.0,0.437307244191625,0.32578301692824346,0.577779110410527,0.40805976286752105,0.43723228359947913
EOS-2-00908,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)nc5)n34)nc2)cn1,HIVAGOQNJLCKRL-UHFFFAOYSA-N,2,1,0.535,92,69,450.409,3.162,5,0.372,0.71,1.0,0.39689705983140294,0.4740250839558632,0.7310499623055308,0.5778733465835104,0.5449613631690768
EOS-2-00909,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4OC(F)F)n23)cc1,PJDSOERLHQLPIM-UHFFFAOYSA-N,2,1,0.675,43,402,450.409,3.162,5,0.372,0.78,1.0,0.6810962236995408,0.5611250085669248,0.6327702008087177,0.5716623260914262,0.6116634397916524
EOS-2-00910,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1,WXXGLDCDNSKOIC-UHFFFAOYSA-N,2,1,0.737,36,996,450.409,3.162,5,0.372,0.74,1.0,0.5538773901720239,0.6232352134877664,0.6480364608320197,0.5619131656500582,0.5967655575354671
EOS-2-00911,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1ncnn1C,JLOVCKWSMFHKFH-UHFFFAOYSA-N,2,1,0.478,16,375,450.409,2.848,5,0.389,0.66,1.0,0.6131433760537317,0.4740336508806799,0.5872112946336783,0.4620313892125283,0.5341049276951546
EOS-2-00912,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cncc(C(F)F)c5)n34)c2)no1,AKHVLRBQRDWGNP-UHFFFAOYSA-N,2,1,0.5,65,131,450.409,3.499,5,0.367,0.65,1.0,0.5843927763689946,0.48737235282023167,0.5242957987800699,0.43675896100335826,0.5082049722431636
EOS-2-00913,Cc1nnc(-c2oc(-c3nnc4cncc(-c5cc(-c6nncs6)no5)n34)cc2F)n1C,PVAXHHPTSVVTPU-UHFFFAOYSA-N,2,1,0.26,99,794,450.419,2.801,6,0.394,0.58,0.674,0.0754746076348434,0.13843293811253513,0.016405661023918855,0.02412446028373655,0.06360941676375848
EOS-2-00914,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cnoc6)nn5)n34)cc2)cn1,UYTXKHSNWPGISZ-UHFFFAOYSA-N,2,1,0.427,56,621,450.422,2.667,6,0.369,0.61,1.0,0.4627681447467617,0.35463641971078064,0.21033513809882803,0.21166301144541155,0.30985067850044545
EOS-2-00915,c1cnc(-c2noc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cn1,KIQWXWMUTIUMEZ-UHFFFAOYSA-N,2,1,0.426,80,355,450.422,2.667,6,0.369,0.69,1.0,0.3606761017065314,0.39750531149338636,0.12996024946885065,0.1342608457268179,0.2556006270988966
EOS-2-00916,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cnc(-c4ncccn4)cn3)n12,ABJONKPRVOJDCD-UHFFFAOYSA-N,2,1,0.282,86,72,450.422,2.764,6,0.382,0.62,0.999,0.2916523884586389,0.09544410938249606,0.1419796449866356,0.11442841477623192,0.16087613940100062
EOS-2-00917,c1cnnc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)c1,JAPBZRWSSIYPDE-UHFFFAOYSA-N,2,1,0.457,81,117,450.422,2.667,6,0.369,0.68,1.0,0.46277671167157836,0.3351380988280447,0.11008498389418135,0.10957953532999794,0.25439483243095057
EOS-2-00918,COc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)ccn2)o1,CKOXYWYNSSAOGJ-UHFFFAOYSA-N,2,1,0.28,94,165,450.422,2.764,6,0.382,0.7,0.997,0.3745288191350833,0.1903827702008087,0.14493523404838599,0.11196970735384826,0.20545413268453158
EOS-2-00919,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncon6)n5)n34)cn2)c1,IIJYFAMXGOQMPD-UHFFFAOYSA-N,2,1,0.419,80,34,450.422,2.667,6,0.369,0.63,1.0,0.37207867863751626,0.3302977863066274,0.13281303543280104,0.12980604482215063,0.24124888629977384
EOS-2-00920,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)cn1,TWGJPPMBIMVACI-UHFFFAOYSA-N,2,1,0.467,71,117,450.422,2.667,6,0.369,0.57,1.0,0.44416078404495923,0.35952813378109794,0.17969981495442397,0.1534250565417038,0.28420344733054625
EOS-2-00921,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnn6)no5)n34)cc2)nc1,FFEPRIYGHJSYDZ-UHFFFAOYSA-N,2,1,0.462,56,8,450.422,2.667,6,0.369,0.73,1.0,0.39260503049825235,0.36920875882393256,0.07197073538482626,0.07478925364950997,0.22714344458913027
EOS-2-00922,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6ncon6)c5)n34)nc2)ccn1,WOWYNDZZQUTQKM-UHFFFAOYSA-N,2,1,0.394,80,34,450.422,2.667,6,0.369,0.63,0.996,0.38603419916386816,0.2338770474950312,0.17970838187924063,0.17483380165855664,0.24361335754917418
EOS-2-00923,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncnc(-c6nnco6)n5)n34)cn2)cc1,CPLGRWOCLYFCNF-UHFFFAOYSA-N,2,1,0.4,28,363,450.422,2.667,6,0.369,0.59,1.0,0.4259303680350901,0.3161623603591255,0.06553697484750874,0.08017784935919402,0.2219518881502296
EOS-2-00924,c1cnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)no2)cn1,ZOMKSFPSIBMYKY-UHFFFAOYSA-N,2,1,0.432,80,147,450.422,2.667,6,0.369,0.72,1.0,0.4165752861352889,0.34518710163799604,0.1328216023576177,0.13426941265163456,0.2572133506956343
EOS-2-00925,c1cncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)ncn2)c1,CRLPHPWRWMEVOJ-UHFFFAOYSA-N,2,1,0.457,80,34,450.422,2.667,6,0.369,0.65,1.0,0.36988554588444933,0.31617092728394214,0.17334315674045644,0.14343602220546914,0.25070891302857923
EOS-2-00926,c1ncc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)nn2)cn1,AGMVZJHFMJCYLN-UHFFFAOYSA-N,2,1,0.466,56,868,450.422,2.667,6,0.369,0.62,1.0,0.342300047974779,0.3257915838530601,0.17653005277225686,0.16941093824960593,0.25350815571242546
EOS-2-00927,c1ccc(-c2ncncc2-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)cc1,FJGISYPDBOKLNT-UHFFFAOYSA-N,2,1,0.394,6,342,450.422,2.667,6,0.369,0.6,1.0,0.31772154067575903,0.16112672195188815,0.09718319512027962,0.11443698170104859,0.17261710986224385
EOS-2-00928,c1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6conn6)cc5)n34)n2)cn1,HIEBQLOVNABJDC-UHFFFAOYSA-N,2,1,0.409,56,59,450.422,2.667,6,0.369,0.52,1.0,0.4142365156603386,0.2958844493180728,0.21365910492769516,0.1832293879788911,0.2767523644712494
EOS-2-00929,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6nnco6)n5)n34)cn2)nc1,UNEBMXCSZLNOHE-UHFFFAOYSA-N,2,1,0.409,6,297,450.422,2.667,6,0.369,0.7,0.999,0.4259389349599068,0.31101363854430814,0.09035535604139538,0.08363888698512782,0.22773670413268451
EOS-2-00930,c1cnc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ncccn6)n5)n34)cc2)nc1,XLNISYGVQHEMFP-UHFFFAOYSA-N,2,1,0.47,56,8,450.422,2.667,6,0.369,0.78,1.0,0.48266054417106435,0.3834641217188678,0.050262147899390035,0.04698101569460626,0.2408419573709821
EOS-2-00931,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nn5)n34)nc2)c1,HUUYMFCKDRBHJS-UHFFFAOYSA-N,2,1,0.427,6,826,450.422,2.667,6,0.369,0.57,0.994,0.3375368377767117,0.19483757110547598,0.13584572681790144,0.13641114385580153,0.20115781988897266
EOS-2-00932,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cnnc(-c4cccnc4)n3)n12,SQJAYUHHJREZAK-UHFFFAOYSA-N,2,1,0.27,98,339,450.422,2.764,6,0.382,0.58,0.793,0.272590980741553,0.11147282571448153,0.16368823247207182,0.14606606812418615,0.1734545267630731
EOS-2-00933,c1cnc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cnccn6)n5)n34)cc2)cn1,ZEDSVOWNEZNOLG-UHFFFAOYSA-N,2,1,0.458,80,147,450.422,2.667,6,0.369,0.76,1.0,0.4188797889109725,0.3692173257487492,0.10497909670344734,0.10513330135014735,0.2495523781783291
EOS-2-00934,c1cnnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)c1,VMIVJVROGKNFFS-UHFFFAOYSA-N,2,1,0.489,81,117,450.422,2.667,6,0.369,0.63,1.0,0.46534678911657873,0.38347268864368445,0.13911829209786855,0.11894318415461586,0.2767202385031869
EOS-2-00935,c1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cn1,OCPVHJDXOLUISY-UHFFFAOYSA-N,2,1,0.471,80,277,450.422,2.667,6,0.369,0.57,1.0,0.4653553560413954,0.3546449866355973,0.19279864299910904,0.15612363785895414,0.29223065588376396
EOS-2-00936,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cnccn6)no5)n34)cc2)nc1,HMIILRWFKCFEQF-UHFFFAOYSA-N,2,1,0.461,80,8,450.422,2.667,6,0.369,0.73,1.0,0.39486669864985263,0.38348125556850116,0.07843876362141046,0.07479782057432664,0.2328961346035227
EOS-2-00937,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnon6)cn5)n34)cc2)ccn1,XEFOGRKAMIPNQN-UHFFFAOYSA-N,2,1,0.477,40,355,450.422,2.667,6,0.369,0.6,1.0,0.36289493523404837,0.2908556644506888,0.1797169488040573,0.19673942841477624,0.25755174422589266
EOS-2-00938,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cn2)nc1,KVTWYFLTOQOKOI-UHFFFAOYSA-N,2,1,0.473,6,843,450.422,2.667,6,0.369,0.67,1.0,0.41424508258515524,0.330306353231444,0.1479422246590364,0.1167757521759989,0.25231735316290865
EOS-2-00939,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ncon6)n5)n34)cc2)nc1,WHELIAWCIJWXPQ-UHFFFAOYSA-N,2,1,0.512,56,8,450.422,2.667,6,0.369,0.67,1.0,0.4514512370639435,0.3641885408813652,0.09036392296621205,0.08018641628401069,0.24654752929888288
EOS-2-00940,c1ncc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cnco6)nc5)n34)n2)cn1,MNLYEIQUMUEQQH-UHFFFAOYSA-N,2,1,0.438,80,34,450.422,2.667,6,0.369,0.69,1.0,0.3969056267562196,0.3058820505791241,0.1733517236652731,0.13641971078061818,0.25313977794530873
EOS-2-00941,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)nn2)c1,NLOSWLRJXVSFOO-UHFFFAOYSA-N,2,1,0.43,81,826,450.422,2.667,6,0.369,0.62,0.991,0.3127270235076417,0.1861592762661915,0.11286066753478172,0.11197827427866493,0.18093131039681995
EOS-2-00942,c1cnnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)n2)c1,QWNFFYJOYIHNDI-UHFFFAOYSA-N,2,1,0.404,81,984,450.422,2.667,6,0.369,0.66,0.869,0.32764203961346033,0.23388561441984784,0.13585429374271812,0.11895175107943252,0.20408342471386473
EOS-2-00943,c1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cnn1,GMLUFAGXAYBYGX-UHFFFAOYSA-N,2,1,0.43,71,117,450.422,2.667,6,0.369,0.64,1.0,0.41658385306010554,0.3400897813720787,0.235042149270098,0.19960078130354328,0.2978291412514564
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EOS-2-00959,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccc5C(F)(F)F)n34)cc2)cn1,MWZOTTVIZUINSK-UHFFFAOYSA-N,2,1,0.57,1,322,450.424,4.79,5,0.385,0.81,1.0,0.7052121170584607,0.7107891851141115,0.9833373312315811,0.9510228908231101,0.8375903810568158
EOS-2-00960,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cc2F)n1,HVJWECHYNXHULW-UHFFFAOYSA-N,2,1,0.598,88,803,450.424,4.231,5,0.387,0.71,1.0,0.8893838667671853,0.8953036118155027,0.8991844287574532,0.8843722157494346,0.892061030772394
EOS-2-00961,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)cc2)n1,APOJWTOXQDWWOK-UHFFFAOYSA-N,2,1,0.585,91,781,450.424,4.231,5,0.362,0.69,1.0,0.8995613734493866,0.9044359536700706,0.9192138989788226,0.8859485299157015,0.9022899390034953
EOS-2-00962,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cc(F)cc4F)n23)cc1,LYRBBTWSRNRKGK-UHFFFAOYSA-N,2,1,0.632,91,803,450.424,4.231,5,0.387,0.65,1.0,0.8653879103556987,0.803072099239257,0.9048385991364539,0.8802001233637173,0.8633746830237817
EOS-2-00963,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1F,NQJDATMFZLUOHP-UHFFFAOYSA-N,2,1,0.565,88,70,450.424,4.231,5,0.387,0.72,1.0,0.9283805085326571,0.8714275923514495,0.9265814543211569,0.9142707833596052,0.9101650846412171
EOS-2-00964,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cc(F)cc5F)n34)cc2)n1,URXIJVWWBJOVDL-UHFFFAOYSA-N,2,1,0.603,91,803,450.424,4.231,5,0.387,0.63,1.0,0.8633318483996985,0.8565382770200809,0.8981649647042698,0.8717617024192996,0.8724491981358371
EOS-2-00965,Cn1ncc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c1-c1ccc(F)c(F)c1,OSJIYGVPMZQGAT-UHFFFAOYSA-N,2,1,0.697,88,70,450.424,4.231,5,0.387,0.73,1.0,0.7910270029470221,0.7245819340689467,0.8816736344321843,0.8872335686382017,0.8211290350215886
EOS-2-00966,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1F,UQZUQBWEWCRPTQ-UHFFFAOYSA-N,2,1,0.6,88,70,450.424,4.231,5,0.387,0.71,1.0,0.9402885340278254,0.8768761565348503,0.9283462408333905,0.9099102186279213,0.9138552875059969
EOS-2-00967,Cn1nccc1-c1cccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,BXRICAOLROTONS-UHFFFAOYSA-N,2,1,0.582,1,138,450.424,4.79,5,0.385,0.72,1.0,0.8308118017956274,0.662034815982455,0.9828318826673977,0.9510314577479269,0.8566774895483518
EOS-2-00968,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2F)n1C,XKERXPGPYMMMBA-UHFFFAOYSA-N,2,1,0.536,59,607,450.424,4.497,5,0.395,0.64,1.0,0.8562898362003976,0.7987029675827565,0.912574532245905,0.8872421355630183,0.8637023678980194
EOS-2-00969,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)cc1-c1ccc(F)cc1,GWMSJTJOZRGNEU-UHFFFAOYSA-N,2,1,0.529,19,266,450.424,4.231,5,0.387,0.75,1.0,0.6413885271742855,0.6044650812144473,0.8626122267150983,0.8773559043245837,0.7464554348571038
EOS-2-00970,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1-c1ccc(F)c(F)c1,GDXGAJJUOGSLMT-UHFFFAOYSA-N,2,1,0.595,19,570,450.424,4.231,5,0.387,0.8,1.0,0.6131519429785485,0.5517099581934068,0.869714207388116,0.8787094784456172,0.7283213967514222
EOS-2-00971,FC(F)(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cn1,OKVPIMWUYNZMHI-UHFFFAOYSA-N,2,1,0.729,91,322,450.424,4.753,5,0.373,0.82,1.0,0.7478411349461997,0.8107137961757248,0.9591529024741279,0.9029367418271538,0.8551611438558016
EOS-2-00972,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)c1,OFGDQIRLQGZBJN-UHFFFAOYSA-N,2,1,0.671,91,322,450.424,4.811,5,0.356,0.72,1.0,0.7910355698718388,0.8685319717634158,0.9372729764923583,0.9086937153039545,0.8763835583578918
EOS-2-00973,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)c1,WGDZXBBTPPFCFH-UHFFFAOYSA-N,2,1,0.583,88,876,450.424,4.231,5,0.362,0.69,1.0,0.8179785484202591,0.7520474950311836,0.8802943595367007,0.8553303406209307,0.8264126859022685
EOS-2-00974,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cc(F)cc4F)n23)cc1,NUDDEAYUQJIZPJ-UHFFFAOYSA-N,2,1,0.595,91,803,450.424,4.231,5,0.387,0.68,1.0,0.9402971009526421,0.8565468439448976,0.9134397916523884,0.8898464807072853,0.9000325543143034
EOS-2-00975,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)ccc2F)cn1,AESHKRXPPLOBSI-UHFFFAOYSA-N,2,1,0.747,88,781,450.424,4.231,5,0.387,0.66,1.0,0.9283890754574737,0.9223065588376397,0.9407425810431088,0.9239942430265232,0.9288581145911864
EOS-2-00976,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(-n5cccn5)cc4)n23)cc1,LWTCQYVQWYSCNU-UHFFFAOYSA-N,2,1,0.667,91,138,450.424,4.617,5,0.378,0.82,1.0,0.7966640394763895,0.7154581591391954,0.9767579329723802,0.9421818244123089,0.8577654890000685
EOS-2-00977,Cn1nc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)cc1-c1ccc(F)cc1,NGKZHBNEACEPKW-UHFFFAOYSA-N,2,1,0.548,19,266,450.424,4.231,5,0.387,0.73,0.999,0.627038928106367,0.5998132410389967,0.8454698101569461,0.8653193749571654,0.7344103385648687
EOS-2-00978,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)cc1,HBMGELAHTVRXHO-UHFFFAOYSA-N,2,1,0.566,88,70,450.424,4.231,5,0.362,0.65,1.0,0.9598382564594613,0.8953121787403193,0.9192224659036392,0.8954406826125694,0.9174533959289973
EOS-2-00979,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)c(F)c1,INQPOWSOTMEQIJ-UHFFFAOYSA-N,2,1,0.6,88,70,450.424,4.231,5,0.387,0.75,1.0,0.8929305736412857,0.8714361592762662,0.9221951888150229,0.9064920156260708,0.8982634843396614
EOS-2-00980,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)n1,QOEPYAQMJFOWEI-UHFFFAOYSA-N,2,1,0.575,1,138,450.424,4.79,5,0.385,0.78,1.0,0.838299294085395,0.7107977520389281,0.9814097731478308,0.947724624768693,0.8695578610102117
EOS-2-00981,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)cn1,XJKQTBIYJUMEPH-UHFFFAOYSA-N,2,1,0.592,1,138,450.424,4.79,5,0.385,0.82,1.0,0.7994482900418066,0.6863905832362415,0.9876036597902816,0.9611061613323282,0.8586371736001646
EOS-2-00982,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)c4)n23)cc1,WGIKZUNYVXCXFE-UHFFFAOYSA-N,2,1,0.561,1,138,450.424,4.79,5,0.385,0.79,1.0,0.8948152971009526,0.7520560619560003,0.9852306216160647,0.9556490302241107,0.8969377527242821
EOS-2-00983,c1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)cn1,XLJZUAGLXLQNMM-UHFFFAOYSA-N,2,1,0.406,80,277,450.426,1.797,6,0.394,0.6,1.0,0.4052926461517374,0.3595367007059146,0.08296209992461107,0.06554554177232541,0.22833424713864708
EOS-2-00984,c1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)cnn1,AQSIRLHWWMOILY-UHFFFAOYSA-N,2,1,0.379,80,584,450.426,1.797,6,0.394,0.59,1.0,0.39691419368103625,0.3499246110616133,0.11286923445959839,0.08905318346926187,0.23719030566787744
EOS-2-00985,c1cnnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)n2)c1,MFAMMFXENLNYMU-UHFFFAOYSA-N,2,1,0.369,6,843,450.426,1.797,6,0.394,0.44,1.0,0.33517236652731136,0.29087279830032214,0.09475875539716264,0.08906175039407854,0.20246641765471868
EOS-2-00986,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nnn(-c6ncccn6)n5)n34)nn2)cc1,NFEDWUVFDFMATQ-UHFFFAOYSA-N,2,1,0.351,71,826,450.426,1.593,6,0.364,0.64,0.995,0.10598999383181414,0.1114813926392982,0.009475018847234597,0.011796655472551572,0.05968576519772462
EOS-2-00987,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)cn1,AEYWGJHRGZQXFK-UHFFFAOYSA-N,2,1,0.447,56,415,450.426,1.797,6,0.394,0.66,1.0,0.4489496950174765,0.3641971078061819,0.14494380097320267,0.12569392091015008,0.2709461311767528
EOS-2-00988,c1cnnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)c1,ZBUQKLIXSFFFKA-UHFFFAOYSA-N,2,1,0.484,71,415,450.426,1.797,6,0.394,0.64,1.0,0.4489582619422932,0.36922589267356587,0.08056336097594408,0.07280172709204304,0.24288731067096153
EOS-2-00989,c1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)nc2)cn1,YYNNDOWJGIABNB-UHFFFAOYSA-N,2,1,0.379,80,855,450.426,1.797,6,0.394,0.59,1.0,0.38831300116510176,0.33514666575286134,0.12996881639366734,0.10728359947913096,0.24017802069769034
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EOS-2-00999,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)ccc1-c1cnco1,IFRLKNRLNOTHAM-UHFFFAOYSA-N,2,1,0.466,41,427,450.433,5.44,6,0.345,0.8,1.0,0.8720701117126997,0.6962168460009595,0.8291069837571106,0.8108165992735248,0.8020526351860737
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EOS-2-01009,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)cn5)n34)cc2)no1,DJVFSEYMLAFETG-UHFFFAOYSA-N,2,1,0.325,42,818,450.437,4.413,6,0.389,0.76,1.0,0.29453944212185595,0.36421424165581523,0.5379257761633884,0.532597148927421,0.43231915221712014
EOS-2-01010,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(F)cc6)n5)n34)cc2)o1,VKDSHSWVUSQVRI-UHFFFAOYSA-N,2,1,0.395,3,186,450.437,4.413,6,0.389,0.75,1.0,0.33979850592831196,0.49695017476526626,0.5549396888492907,0.565142896305942,0.4892078164622028
EOS-2-01011,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)nc1,FFWRDHYEZQWHPG-UHFFFAOYSA-N,2,1,0.449,41,763,450.437,4.57,6,0.41,0.71,1.0,0.8207285312864094,0.7386402576930985,0.6974333493249263,0.6666866561579056,0.730872198615585
EOS-2-01012,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(-c2ccc(F)cn2)n1,GYLVKTJTHXHPPU-UHFFFAOYSA-N,2,1,0.291,42,174,450.437,4.413,6,0.389,0.67,0.998,0.39487526557466934,0.42993112192447397,0.4963504900280995,0.5123021040367349,0.4583647453909945
EOS-2-01013,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)nc2)n1,RNCURBBCSRVAQB-UHFFFAOYSA-N,2,1,0.338,32,572,450.437,4.413,6,0.389,0.69,1.0,0.2859810842300048,0.3739377013227332,0.46191145226509495,0.48930847782879855,0.40278467891165787
EOS-2-01014,FCc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)o1,YJCDWAVIIFUQJV-UHFFFAOYSA-N,2,1,0.303,9,98,450.437,4.435,6,0.379,0.73,1.0,0.19660235761770956,0.2394626824754986,0.49635905695291616,0.5022016996778836,0.358656449181002
EOS-2-01015,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)c(-c2ccc(F)cc2)n1,MAKLYXXGPGKGSY-UHFFFAOYSA-N,2,1,0.338,32,20,450.437,4.413,6,0.389,0.7,0.953,0.307304160098691,0.37394626824754984,0.4897025563703653,0.5189329038448358,0.4224714721403605
EOS-2-01016,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2F)o1,JIAFPXFDZBOXNC-UHFFFAOYSA-N,2,1,0.329,9,38,450.437,4.413,6,0.389,0.7,1.0,0.36068466863134807,0.4024227263381537,0.6892776368994585,0.6580511959427044,0.5276090569529162
EOS-2-01017,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2F)n1,BMQNTSQGEFIFGB-UHFFFAOYSA-N,2,1,0.329,9,340,450.437,4.413,6,0.389,0.62,1.0,0.3513724213556302,0.40243129326297034,0.629797477897334,0.6085515043519978,0.49803817421698304
EOS-2-01018,Fc1cc(-c2nnc3cncc(OCc4cc5ccccc5nn4)n23)ccc1-c1cnccn1,SULMUFHSUZKECF-UHFFFAOYSA-N,2,1,0.463,40,177,450.437,3.91,6,0.389,0.67,0.999,0.7298505928311974,0.7386488246179151,0.5903639229662121,0.6085600712768144,0.6668558529230348
EOS-2-01019,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5F)n34)cn2)no1,KOTLAKDAOXCRIM-UHFFFAOYSA-N,2,1,0.337,42,106,450.437,4.413,6,0.389,0.76,1.0,0.30222397368240694,0.4210129531903228,0.5034953053252005,0.5326057158522377,0.43983448701254196
EOS-2-01020,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccc(F)n6)cn5)n34)cc2)o1,GMQQKDUBJKBIBY-UHFFFAOYSA-N,2,1,0.329,38,270,450.437,4.413,6,0.364,0.57,1.0,0.2750239873894867,0.37395483517236655,0.48642142416558154,0.47136077033787954,0.40169025426632854
EOS-2-01021,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cc(F)ccn6)cn5)n34)cc2)o1,MUPOOGXRWYPQMJ-UHFFFAOYSA-N,2,1,0.333,38,167,450.437,4.413,6,0.389,0.66,1.0,0.30731272702350765,0.4477845932424097,0.5578867109862243,0.5326142827770544,0.461399578507299
EOS-2-01022,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(F)nc6)cn5)n34)cc2)o1,ONCFMBQAWPGERP-UHFFFAOYSA-N,2,1,0.329,42,303,450.437,4.413,6,0.364,0.64,1.0,0.3177301076005757,0.4346857651977246,0.6031971763415804,0.555496538962374,0.4777773970255637
EOS-2-01023,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccc(F)n6)cn5)n34)cc2)o1,XRZDCFIAXLXZPF-UHFFFAOYSA-N,2,1,0.333,38,594,450.437,4.413,6,0.364,0.62,1.0,0.3492135563018299,0.4389520937564252,0.5310294016859708,0.49243540538688235,0.45290761428277704
EOS-2-01024,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)nc2)o1,FNCJAKCLOPZRPV-UHFFFAOYSA-N,2,1,0.351,32,572,450.437,4.413,6,0.389,0.75,1.0,0.2539493523404839,0.4119491467342883,0.4929751216503324,0.5157974093619354,0.41866775752176
EOS-2-01025,Cc1nnc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c2)o1,DNKFJOSIGSZLCZ-UHFFFAOYSA-N,2,1,0.329,9,171,450.437,4.413,6,0.389,0.76,1.0,0.29971386471112327,0.4254249194709067,0.6392125282708518,0.6289836200397505,0.4983337331231581
EOS-2-01026,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)c(F)c2)nn1,ZYUAEAVOSYKWPO-UHFFFAOYSA-N,2,1,0.338,32,572,450.437,4.413,6,0.389,0.68,1.0,0.3470546912480296,0.4166009869097389,0.6122267150983483,0.5842642724967446,0.49003666643821536
EOS-2-01027,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)c2)o1,WLKRTVIHYLEAJY-UHFFFAOYSA-N,2,1,0.313,32,179,450.437,4.413,6,0.389,0.74,1.0,0.2157494345829621,0.2854927695154547,0.47562709889658006,0.4834058666301145,0.3650687924062778
EOS-2-01028,Cc1noc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2F)n1,MJTUVNPITPGTEH-UHFFFAOYSA-N,2,1,0.327,32,20,450.437,4.413,6,0.389,0.69,1.0,0.3303149201562607,0.3739634020971832,0.45141696936467685,0.4682766774038791,0.40599299225549995
EOS-2-01029,Cc1noc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cc2F)n1,CYUKRPJWARPHLS-UHFFFAOYSA-N,2,1,0.337,32,321,450.437,4.413,6,0.389,0.7,1.0,0.31273559043245835,0.3642228085806319,0.41452779110410526,0.45253066959084365,0.38600421492700976
EOS-2-01030,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccc6F)cc5)n34)nc2)no1,KEPJTWLAGJHTMK-UHFFFAOYSA-N,2,1,0.333,38,983,450.437,4.413,6,0.389,0.73,1.0,0.3276591734630937,0.402439860187787,0.447801727092043,0.46203995613734494,0.40998517922006716
EOS-2-01031,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)nc2)o1,WPXAIKFVTXHONZ-UHFFFAOYSA-N,2,1,0.329,38,787,450.437,4.413,6,0.389,0.72,1.0,0.3073212939483243,0.392690699746419,0.49636762387773287,0.4955623329449661,0.42298548762936056
EOS-2-01032,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)nc2)o1,KKMSVOJFVHLBQY-UHFFFAOYSA-N,2,1,0.329,32,572,450.437,4.413,6,0.389,0.68,1.0,0.264700842985402,0.4070917003632376,0.47563566582139677,0.48341443355493113,0.40771066068124184
EOS-2-01033,Fc1ccc(-c2ncc(-c3nnc4cncc(OCc5ccc6ccccc6n5)n34)cn2)nc1,FTSPXJXKIPKUBX-UHFFFAOYSA-N,2,1,0.457,28,891,450.437,3.91,6,0.389,0.73,1.0,0.7019395517784935,0.6570745665136043,0.4442807209923926,0.480193269823864,0.5708720272770886
EOS-2-01034,Fc1ccnc(-c2nnc3cncc(OCc4cccc(-c5nnnc6ccccc56)c4)n23)c1,SVQKBGCWFGEXDW-UHFFFAOYSA-N,2,1,0.392,77,177,450.437,3.91,6,0.389,0.76,1.0,0.6413970940991022,0.5517185251182236,0.5646460146665753,0.6116869988348982,0.5923621581796998
EOS-2-01035,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(-c2ccc(F)nc2)n1,GHJLDVPFUMAXHL-UHFFFAOYSA-N,2,1,0.314,9,894,450.437,4.413,6,0.364,0.65,1.0,0.2725995476663697,0.37865807689671716,0.5578952779110411,0.542577616338839,0.43793262970324176
EOS-2-01036,Cc1cc(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cn5)n34)cc2)nn1,NLZPNMJIYHUGDB-UHFFFAOYSA-N,2,1,0.33,32,339,450.437,4.413,6,0.389,0.61,1.0,0.21861078747172916,0.27506682201357,0.4827633472688644,0.47728908231101363,0.36343250976629426
EOS-2-01037,Fc1cc(-c2nnc3cncc(-c4cnn(-c5ccccc5)n4)n23)cnc1Oc1ccccc1,QCWDWAQGHRMQQQ-UHFFFAOYSA-N,2,1,0.333,30,298,450.437,4.365,6,0.385,0.64,0.999,0.09361078747172914,0.3258001507778768,0.44428928791720923,0.4772976492358303,0.33524946885066137
EOS-2-01038,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)n2)o1,LSXJNIJQDOCDIW-UHFFFAOYSA-N,2,1,0.342,32,541,450.437,4.413,6,0.389,0.73,0.998,0.20769652525529436,0.41195771365910494,0.4108954149818381,0.45889589472962783,0.3723613871564663
EOS-2-01039,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnncc5-c5ccncc5)n34)cc2F)o1,SDBUJQNFEAGOCF-UHFFFAOYSA-N,2,1,0.329,42,106,450.437,4.413,6,0.389,0.61,1.0,0.31527140017819205,0.40244842711260365,0.7000291275443766,0.6696165444452059,0.5218413748200945
EOS-2-01040,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccnc(F)c6)cn5)n34)cc2)o1,HRIMGBMFYOAJBO-UHFFFAOYSA-N,2,1,0.318,42,983,450.437,4.413,6,0.364,0.63,1.0,0.32509766294291004,0.4299396888492907,0.6065211431704476,0.5555051058871907,0.47926590021245974
EOS-2-01041,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)o2)nn1,KUGWRTDWXWOIEA-UHFFFAOYSA-N,2,1,0.344,32,750,450.437,4.413,6,0.389,0.66,1.0,0.26715098348296895,0.40710026728805426,0.4619200191899116,0.5022102666027003,0.4095953841409088
EOS-2-01042,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccc(F)c6)cn5)n34)cn2)o1,OQAHTWYCBLGQNK-UHFFFAOYSA-N,2,1,0.367,32,572,450.437,4.413,6,0.389,0.73,1.0,0.24069631964909877,0.3786666438215338,0.4653724898910287,0.5087553971626345,0.398372712631074
EOS-2-01043,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)c(-c2cccc(F)c2)n1,ATPPJYNEQKFQPM-UHFFFAOYSA-N,2,1,0.333,32,572,450.437,4.413,6,0.389,0.72,1.0,0.2945480090466726,0.4024569940374203,0.4963761908025495,0.5158059762867521,0.4272967925433486
EOS-2-01044,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)cc4)n23)c1,SWLOHGDHFFTAGF-UHFFFAOYSA-N,2,1,0.516,40,25,450.437,3.91,6,0.389,0.46,1.0,0.6840004112123912,0.7735504763210198,0.6358714275923515,0.6380302926461517,0.6828631519429786
EOS-2-01045,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)nc2)no1,UVIDRFJQKBXXBA-UHFFFAOYSA-N,2,1,0.368,32,20,450.437,4.413,6,0.389,0.7,1.0,0.3100798437392913,0.4210215201151395,0.40421321362483725,0.45253923651566036,0.39696345349873213
EOS-2-01046,Cc1cnc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)c1,PKSBZFHOFHMEPI-UHFFFAOYSA-N,2,1,0.329,32,572,450.437,4.413,6,0.389,0.68,0.999,0.310088410664108,0.407108834212871,0.5178363374683024,0.5455589061750394,0.4451481221300802
EOS-2-01047,Fc1cc(-c2nn[nH]n2)ccc1Oc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,RPZIWPDBZVBMCM-UHFFFAOYSA-N,2,1,0.488,12,285,450.437,4.57,6,0.41,0.78,1.0,0.7593979165238846,0.7476012610513331,0.7361044479473648,0.7545918717017339,0.7494238743060792
EOS-2-01048,COc1ccc(-c2nnc3cncc(OCCc4cccs4)n23)cc1-c1csc(C)n1,OLFRYWVDVGGZJM-UHFFFAOYSA-N,2,1,0.667,15,796,449.561,4.915,5,0.351,0.84,1.0,0.5561304913988074,0.4431498869165924,0.3405695291618121,0.2258070043177301,0.3914142279487355
EOS-2-01049,Cn1cncc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cn1,ZXGRDSQHQDJCMX-UHFFFAOYSA-N,2,1,0.303,86,165,450.441,3.245,6,0.402,0.63,1.0,0.22405935165512988,0.2241278870536632,0.34057809608662876,0.347611541361113,0.2840942190391337
EOS-2-01050,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(-c6nc[nH]n6)cn5)n34)nc2)n1,QDAVCYVYEBXVME-UHFFFAOYSA-N,2,1,0.29,70,387,450.441,3.543,6,0.433,0.62,0.531,0.20770509218011102,0.29088993214995545,0.3483568638201631,0.3508327050921801,0.29944614831060246
EOS-2-01051,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cccc(-c5ncc(F)cn5)c4)n23)c1,LGRUTGAPPOCMKP-UHFFFAOYSA-N,2,1,0.325,25,791,450.441,3.245,6,0.402,0.75,1.0,0.154890000685354,0.17344595983825645,0.2785963950380371,0.3380508532657117,0.23624580220683983
EOS-2-01052,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)nc5)n34)nc2)n1,JQPYIEXAXXUXCY-UHFFFAOYSA-N,2,1,0.321,70,968,450.441,3.245,6,0.402,0.65,0.971,0.21042080734699473,0.2750753889383867,0.36690425604824894,0.3639058323624152,0.3040765711740114
EOS-2-01053,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncc(F)cn6)c5)n34)cc2)cn1,RXMODTUWJRYBQW-UHFFFAOYSA-N,2,1,0.294,42,151,450.441,3.339,6,0.402,0.75,1.0,0.016491330272085533,0.12441744911246659,0.315065793982592,0.30672160921115754,0.1906740456445754
EOS-2-01054,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nn1,GFEBMSMDHRSMTF-UHFFFAOYSA-N,2,1,0.321,42,171,450.441,3.245,6,0.402,0.71,1.0,0.13305290932766775,0.23389418134466453,0.48277191419368104,0.49557089986978275,0.336322476183949
EOS-2-01055,Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)c(F)c5)n34)nn2)nn1,HJEJFZWHQPWNLX-UHFFFAOYSA-N,2,1,0.321,10,620,450.441,3.339,6,0.402,0.72,1.0,0.007059146048934275,0.13844150503735178,0.37863237612226713,0.43375197039270785,0.23947124940031525
EOS-2-01056,Cc1[nH]nnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)n1,FWIBBYAJEOVMOJ-UHFFFAOYSA-N,2,1,0.309,38,167,450.441,3.543,6,0.405,0.47,1.0,0.1966109245425262,0.2646408745116853,0.37864094304708384,0.4304537043382907,0.31758661160989654
EOS-2-01057,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(F)c6)n5)n34)cc2)cn1,QILNKVVHZSLYEB-UHFFFAOYSA-N,2,1,0.327,3,973,450.441,3.339,6,0.402,0.68,1.0,0.03521862792132136,0.2040127475841272,0.260186073607018,0.32506339524364336,0.20612021108902748
EOS-2-01058,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)n1,XGJHWRACODYENY-UHFFFAOYSA-N,2,1,0.311,98,787,450.441,3.245,6,0.402,0.63,1.0,0.25395791926530054,0.2855013364402714,0.28951065725447195,0.3508412720169968,0.2949527962442602
EOS-2-01059,Fc1ccccc1Cn1nnc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)n1,MNMKPHNGAAIXKV-UHFFFAOYSA-N,2,1,0.346,3,973,450.441,3.089,6,0.394,0.73,1.0,0.20487800699061065,0.3303149201562607,0.2823572750325543,0.4045901583167706,0.30553509012404906
EOS-2-01060,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5F)n34)nc2)n[nH]1,QATKFUNEMLZDNP-UHFFFAOYSA-N,2,1,0.276,94,100,450.441,3.543,6,0.433,0.71,0.08,0.19366390240559248,0.29589301624288944,0.4368960318004249,0.44627681447467615,0.34318244123089575
EOS-2-01061,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2F)n1,UGJHRUJILOLEDC-UHFFFAOYSA-N,2,1,0.303,42,154,450.441,3.543,6,0.433,0.6,1.0,0.26470940991021863,0.340106915221712,0.4292971694880406,0.4211671578370228,0.36382016311424853
EOS-2-01062,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)c(-c2ccc(F)cn2)n1,XRSPPJCFRZXYTC-UHFFFAOYSA-N,2,1,0.29,76,154,450.441,3.543,6,0.433,0.68,1.0,0.30496538962374065,0.35465355356041395,0.307535467068741,0.3220392707833596,0.3222984202590638
EOS-2-01063,Cn1nc(-c2cnccn2)cc1-c1cncc2nnc(-c3ccc(-c4ncc(F)cn4)cc3)n12,NIAONWZYFWBWPY-UHFFFAOYSA-N,2,1,0.333,42,167,450.441,3.245,6,0.402,0.67,1.0,0.14082311013638543,0.19484613803029266,0.31120211089027483,0.3128640943047084,0.23993386334041533
EOS-2-01064,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5F)n34)nc2)n1,PUVJASWPOONDLC-UHFFFAOYSA-N,2,1,0.338,42,608,450.441,3.245,6,0.402,0.71,1.0,0.21042937427181138,0.3401154821465287,0.3112106778150915,0.31287266122952506,0.2936570488657392
EOS-2-01065,Cn1cncc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)cn1,TUNPOMMDZCLWCC-UHFFFAOYSA-N,2,1,0.276,86,165,450.441,3.245,6,0.376,0.63,1.0,0.19936090740867657,0.20402131450894387,0.38953807141388525,0.38605989993831813,0.29474504831745596
EOS-2-01066,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ncc(F)cn5)[nH]4)n23)cn1,RGQVDYNHEHCYLZ-UHFFFAOYSA-N,2,1,0.291,10,407,450.441,3.543,6,0.433,0.69,0.67,0.2515163456925502,0.2959015831677061,0.24221266534164895,0.30673017613597425,0.27409019258446987
EOS-2-01067,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cnc2F)n1,ZQDGTOUVCCHNNR-UHFFFAOYSA-N,2,1,0.317,30,945,450.441,3.245,6,0.376,0.69,1.0,0.17962271263107396,0.27508395586320333,0.2673480227537523,0.3347868549105613,0.26421038653964773
EOS-2-01068,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5F)n34)nc2)n[nH]1,SIIQDDKJIWNPDV-UHFFFAOYSA-N,2,1,0.275,76,887,450.441,3.543,6,0.405,0.64,0.536,0.2564080597628675,0.31617949420875885,0.3520577753409636,0.3476201082859297,0.3180663593996299
EOS-2-01069,Cn1nncc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1F,SSMRERNBESAHNT-UHFFFAOYSA-N,2,1,0.313,42,608,450.441,3.245,6,0.402,0.64,1.0,0.14377013227331917,0.24956308683434994,0.322364813926393,0.3444760468782126,0.2650435199780687
EOS-2-01070,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cn2)n1,ZVBQQQDNDFKUGP-UHFFFAOYSA-N,2,1,0.321,25,725,450.441,3.245,6,0.376,0.73,1.0,0.16846857651977246,0.24957165375916662,0.36333184839969845,0.4045987252415873,0.2964927009800562
EOS-2-01071,Cn1cc(-c2cnc(F)c(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)c2)nn1,BHLRFNVOGXWCNL-UHFFFAOYSA-N,2,1,0.294,70,935,450.441,3.245,6,0.376,0.64,0.98,0.08870193955177849,0.18180727845932423,0.29676684257418956,0.3220478377081763,0.22233097457336715
EOS-2-01072,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(F)cn6)cn5)n34)nc2)n[nH]1,QTWYRWGJYDXCFJ-UHFFFAOYSA-N,2,1,0.271,70,392,450.441,3.543,6,0.433,0.61,0.351,0.15489856761017065,0.22919950654513055,0.3969827290795696,0.36718696456719896,0.28706694195051746
EOS-2-01073,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cnccn6)cc5F)n34)nc2)n[nH]1,YYSVRKDDFHHXNQ-UHFFFAOYSA-N,2,1,0.26,86,421,450.441,3.543,6,0.433,0.59,0.266,0.22117229799191282,0.2595863888698513,0.3786495099719005,0.37368926050304985,0.30827436433417865
EOS-2-01074,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cn5)n34)nc2)cn1,YZQAROVJNOZJHQ-UHFFFAOYSA-N,2,1,0.277,86,114,450.441,3.245,6,0.402,0.62,1.0,0.11660441367966555,0.19947227743129325,0.30413439791652386,0.32823315742581044,0.2371110616133233
EOS-2-01075,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncc(F)c6)nc5)n34)cc2)n[nH]1,KBFXUKZMGVDIHH-UHFFFAOYSA-N,2,1,0.305,42,106,450.441,3.543,6,0.433,0.73,1.0,0.2806181892947707,0.3058906175039408,0.35947673223219795,0.3571636625316976,0.3257873003906518
EOS-2-01076,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)c(-c2ccc(F)cc2)n1,HZMIJTPHRYIVIN-UHFFFAOYSA-N,2,1,0.314,42,154,450.441,3.543,6,0.433,0.66,0.977,0.29972243163594,0.37867521074635047,0.3260314577479268,0.36391439928723185,0.34208587485436226
EOS-2-01077,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cc(F)c(-c5ncccn5)cn4)n23)cn1,UZLFGQDNGXVJCL-UHFFFAOYSA-N,2,1,0.32,86,812,450.441,3.245,6,0.402,0.62,1.0,0.1711243232129395,0.24456000274141595,0.3187924062778425,0.3160766911109588,0.2626383558357892
EOS-2-01078,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(F)nc6)nc5)n34)cc2)n[nH]1,BIDSFILFMQUZIT-UHFFFAOYSA-N,2,1,0.314,42,106,450.441,3.543,6,0.405,0.68,1.0,0.2671595504077856,0.30084469878692344,0.3669128229730656,0.35084983894181343,0.321441727777397
EOS-2-01079,Cc1nc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)ncc1F,GPNXZYZONQERNU-UHFFFAOYSA-N,2,1,0.284,42,7,450.441,3.543,6,0.433,0.68,1.0,0.3446645192241793,0.30589918442875746,0.3858799945171681,0.3639229662120485,0.3500916660955383
EOS-2-01080,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5nnnn5-c5ccc(F)cc5)n34)cc2)cn1,ULKIDMQKVDDUCP-UHFFFAOYSA-N,2,1,0.36,3,973,450.441,3.339,6,0.402,0.63,1.0,0.04406826125693921,0.18616784319100815,0.31121924473990814,0.3896922760605853,0.23278690631211021
EOS-2-01081,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cn5)cn4)n23)cc1,SPXGJMPOQBDAOQ-UHFFFAOYSA-N,2,1,0.351,38,167,450.441,3.245,6,0.402,0.66,1.0,0.20199095332739359,0.27509252278802,0.3296809677198273,0.34762867521074636,0.28859827976149677
EOS-2-01082,Cc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccnc(F)c6)cn5)n34)cn2)n1,TWXLRXKPHFXFFJ-UHFFFAOYSA-N,2,1,0.262,86,664,450.441,3.339,6,0.376,0.65,0.711,0.001207936399150161,0.07569734768007676,0.3443132753066959,0.3380594201905284,0.18981949489411282
EOS-2-01083,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnc(F)c6)nc5)n34)nc2)cn1,PGKLBQNITAEKDY-UHFFFAOYSA-N,2,1,0.325,86,989,450.441,3.245,6,0.376,0.7,1.0,0.10347988486053046,0.19948084435610994,0.4331522856555411,0.40460729216640395,0.28518007675964635
EOS-2-01084,Cc1ccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cn6)cn5)n34)cn2)nc1,TVOPBAXKVCFVIT-UHFFFAOYSA-N,2,1,0.259,86,72,450.441,3.339,6,0.402,0.68,0.998,0.006519429785484202,0.10833733123158111,0.31880097320265915,0.33479542183537797,0.1921132890137756
EOS-2-01085,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1,SLJQQAPTRFUDDU-UHFFFAOYSA-N,2,1,0.342,9,642,450.441,3.245,6,0.402,0.7,1.0,0.25641662668768417,0.3059077513535741,0.4864299910903982,0.502218833527517,0.38774330066479334
EOS-2-01086,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)ccn2)n1,AZKUQYDGIVWNSL-UHFFFAOYSA-N,2,1,0.318,10,693,450.441,3.245,6,0.402,0.67,1.0,0.16025289562058803,0.23947124940031525,0.2967754094990062,0.3605732986087314,0.2642682132821602
EOS-2-01087,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)c(F)c5)n34)cc2)cn1,CHSDDWOIRFEICE-UHFFFAOYSA-N,2,1,0.317,9,98,450.441,3.543,6,0.433,0.77,1.0,0.30732986087314096,0.39269926667123567,0.49991433075183334,0.49859502433006647,0.42463462065656915
EOS-2-01088,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nccc(-c6ccc(F)nc6)n5)n34)nc2)n[nH]1,YTPRYZDAHFQQAJ-UHFFFAOYSA-N,2,1,0.248,70,392,450.441,3.543,6,0.405,0.58,0.958,0.19936947433349325,0.23390274826948118,0.3336902885340278,0.3317370296758276,0.27467488520320743
EOS-2-01089,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)nc5)nc4)n23)cc1,IKAMTEPKDQUSLW-UHFFFAOYSA-N,2,1,0.329,42,42,450.441,3.245,6,0.376,0.76,1.0,0.2539664861901172,0.2855099033650881,0.37081077376464944,0.3736978274278665,0.3209962476869303
EOS-2-01090,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)c2)nn1,QASMZUVGTVFPNJ-UHFFFAOYSA-N,2,1,0.29,70,392,450.441,3.245,6,0.402,0.61,1.0,0.0695634295113426,0.1420567473099856,0.4109039819066548,0.42742101295319035,0.26248629292029335
EOS-2-01091,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)c(F)c5)n34)nn2)n1,MFEVXCPVPABQRE-UHFFFAOYSA-N,2,1,0.342,98,63,450.441,3.245,6,0.402,0.69,0.672,0.1766328558700569,0.2445685696662326,0.4078455897471044,0.44628538139949286,0.31883309917072167
EOS-2-01092,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cn2)nn1,QEQQFYQCELXQGG-UHFFFAOYSA-N,2,1,0.298,10,37,450.441,3.339,6,0.402,0.64,0.999,0.007633130011651018,0.16894832430950585,0.30031354944829003,0.35085840586663014,0.20693835240901925
EOS-2-01093,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ncc(F)cn6)n5)n34)cc2)n1,FKBJQRXQGOCMTG-UHFFFAOYSA-N,2,1,0.338,42,167,450.441,3.245,6,0.402,0.65,1.0,0.16310568158453842,0.21371050647659517,0.30414296484134057,0.3128812281543417,0.24846009526420396
EOS-2-01094,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)nn5)cc4)n23)cc1,AEEOKTBFOSKBKV-UHFFFAOYSA-N,2,1,0.368,9,642,450.441,3.245,6,0.402,0.71,1.0,0.2593550818998012,0.2751010897128367,0.32968953464464396,0.347637242135563,0.30294573709821127
EOS-2-01095,Cn1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)cn5)n34)cn2)cn1,DIJLZRVNFDXRCU-UHFFFAOYSA-N,2,1,0.267,86,72,450.441,3.245,6,0.376,0.63,1.0,0.11661298060448222,0.1903913371256254,0.4145363580289219,0.4046158590912206,0.2815391337125625
EOS-2-01096,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5F)n34)nc2)n1,YUHGOMLSTDOWSB-UHFFFAOYSA-N,2,1,0.317,42,608,450.441,3.245,6,0.402,0.64,1.0,0.1993780412583099,0.32118257830169283,0.3708193406894661,0.3605818655335481,0.31299045644575424
EOS-2-01097,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)nc4)n23)cn1,WDLXQTJQDVQTCJ-UHFFFAOYSA-N,2,1,0.4,42,314,450.441,3.245,6,0.402,0.78,1.0,0.17664142279487355,0.28551847028990474,0.2859296826811048,0.3411863477486122,0.27231898087862383
EOS-2-01098,Cn1ccc(-c2cnc(-c3nnc4cncc(-c5cnnc(-c6ccc(F)cc6)c5)n34)cn2)n1,HWZOPPNZRZAIAJ-UHFFFAOYSA-N,2,1,0.313,70,72,450.441,3.245,6,0.402,0.48,1.0,0.10841443355493112,0.20402988143376052,0.38954663833870196,0.4304622712631074,0.28311330614762525
EOS-2-01099,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nn5)n34)c(F)c2)n[nH]1,OWZDHRFYYZUUQH-UHFFFAOYSA-N,2,1,0.31,98,572,450.441,3.543,6,0.433,0.62,1.0,0.22961928586114727,0.3211911452265095,0.35206634226578026,0.3768675896100336,0.31993609074086765
EOS-2-01100,Cc1nc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c(F)c2)n[nH]1,QUDCSDHZGOXCOG-UHFFFAOYSA-N,2,1,0.287,42,171,450.441,3.543,6,0.433,0.71,1.0,0.21310225481461176,0.34993317798643,0.3822047837708176,0.4017716400520869,0.33675296415598654
EOS-2-01101,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)c(F)c5)n34)nc2)nn1,FKASDPMPCCBUET-UHFFFAOYSA-N,2,1,0.341,42,106,450.441,3.245,6,0.402,0.68,1.0,0.1059985607566308,0.19485470495510931,0.3932304160098691,0.4304708381879241,0.2811386299773833
EOS-2-01102,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)nn1,XYTGHJMDXFGPFC-UHFFFAOYSA-N,2,1,0.333,42,608,450.441,3.245,6,0.402,0.65,1.0,0.1659327667740388,0.2241364539784799,0.36692138989788226,0.37370639435268316,0.28267425125077106
EOS-2-01103,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccn6)cn5)n34)c(F)c2)nn1,KZUWLFJUSCDHMF-UHFFFAOYSA-N,2,1,0.31,70,72,450.441,3.245,6,0.402,0.66,1.0,0.0960694948941128,0.16501610581865533,0.3443218422315126,0.380028784867384,0.24635905695291618
EOS-2-01104,Cc1cccc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)cn2)n1,MLBHISIAPXFKSR-UHFFFAOYSA-N,2,1,0.277,10,543,450.441,3.339,6,0.402,0.65,0.845,0.0007367555342334315,0.10834589815639778,0.27072339113151944,0.34448461380302925,0.18107266465629496
EOS-2-01105,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)nc1F,LFCWBBDKIYWWJT-UHFFFAOYSA-N,2,1,0.338,9,537,450.441,3.543,6,0.433,0.67,1.0,0.2647179768350353,0.3161880611335755,0.31122781166472485,0.3189037763004592,0.30275940648344873
EOS-2-01106,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4F)c3)n12,YKURVOPNPMPVLQ-UHFFFAOYSA-N,2,1,0.367,93,68,450.452,5.589,6,0.351,0.77,1.0,0.02795387567678706,0.31619662805839216,0.9200877253101227,0.9430556507436091,0.5518234699472278
EOS-2-01107,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)cc2F)cc1,MFVAIKFZDBJZSN-UHFFFAOYSA-N,2,1,0.377,83,472,450.452,5.794,6,0.369,0.85,1.0,0.369894112809266,0.4969587416900829,0.9513484339661435,0.9593242409704612,0.6943813823589884
EOS-2-01108,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cc2)cc1,YLXZCUPQLNCXOB-UHFFFAOYSA-N,2,1,0.382,83,68,450.452,5.589,6,0.351,0.81,1.0,0.05492255499965732,0.3692344595983826,0.9407511479679255,0.9563001165101775,0.5803020697690358
EOS-2-01109,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6F)c5)n34)cc2)c1,VLXCBYZKXPECPV-UHFFFAOYSA-N,2,1,0.37,93,68,450.452,5.589,6,0.351,0.77,1.0,0.03281988897265438,0.34520423548762935,0.9322784593242409,0.9510400246727435,0.565335652114317
EOS-2-01110,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2F)cc1,HOVLADXZGRRGFJ-UHFFFAOYSA-N,2,1,0.358,83,68,450.452,5.589,6,0.351,0.78,1.0,0.04109553834555548,0.345212802412446,0.9346429305736413,0.94984065519841,0.5676979816325132
EOS-2-01111,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cc1F,SHSGJLLJFMAYTN-UHFFFAOYSA-N,2,1,0.355,93,68,450.452,5.589,6,0.351,0.77,1.0,0.05493112192447399,0.32580871770269343,0.9414450688780756,0.9529418819820438,0.5687816976218217
EOS-2-01112,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cnn(C(F)F)c4)n23)c1,GVMUJDNDGPCFOB-UHFFFAOYSA-N,2,1,0.489,26,460,450.453,3.888,5,0.356,0.65,1.0,0.40530121307655403,0.42994825577410734,0.5936022205469125,0.4650212459735453,0.4734682338427798
EOS-2-01113,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cc1F,IEDHCGLLSYWCGM-UHFFFAOYSA-N,2,1,0.406,93,68,450.452,5.589,6,0.351,0.78,1.0,0.051675690494140225,0.3303234870810774,0.9407597148927421,0.9503889383866767,0.5682869577136591
EOS-2-01114,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)cn2)cc1,LSZYTCOLSAQAIY-UHFFFAOYSA-N,2,1,0.38,83,68,450.452,5.589,6,0.351,0.82,1.0,0.04110410527037215,0.3059163182783908,0.9407682818175588,0.9568912343225275,0.5611699849222123
EOS-2-01115,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cc2)c1,LMXXBWAPLXGHMD-UHFFFAOYSA-N,2,1,0.375,93,68,450.452,5.589,6,0.351,0.77,1.0,0.02796244260160373,0.3110222054691248,0.9379326297032418,0.9549122746898773,0.5579573881159618
EOS-2-01116,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)c(F)c2)c1,VOVJKCWAUNYWPR-UHFFFAOYSA-N,2,1,0.362,93,68,450.452,5.589,6,0.351,0.76,1.0,0.011676718525118224,0.31103077239394145,0.9265900212459736,0.9462339798505929,0.5488828730039065
EOS-2-01117,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)cn2)cc1,QQQPLJBNHBXGEH-UHFFFAOYSA-N,2,1,0.358,83,68,450.452,5.589,6,0.351,0.8,1.0,0.036649304365704884,0.2908984990747721,0.934651497498458,0.9517767802069769,0.553494020286478
EOS-2-01118,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)s5)n34)s2)cs1,XGXZEMHXXXLLOH-UHFFFAOYSA-N,2,1,0.242,76,272,449.546,5.063,6,0.371,0.64,0.996,0.067515934480159,0.04214927009800562,0.09251422109519566,0.10729216640394763,0.07736789801932697
EOS-2-01119,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(=O)[nH]4)n23)ccc1-c1ccsc1,JSIFPTYSBYYQLV-UHFFFAOYSA-N,2,1,0.419,16,103,450.455,3.33,5,0.423,0.55,1.0,0.5256408059762867,0.4873809197450483,0.5104944829004181,0.4396717154410253,0.4907969810156946
EOS-2-01120,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cc2)n1C,KIDACCLSOJFFQA-UHFFFAOYSA-N,2,1,0.337,69,898,449.543,5.291,6,0.366,0.8,1.0,0.11662154752929889,0.12075937221574944,0.5105030498252348,0.45563189637447743,0.3008789664861901
EOS-2-01121,Cc1nn(C)cc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)s1,VUKCWINZFSDEFA-UHFFFAOYSA-N,2,1,0.352,93,774,449.543,5.291,6,0.366,0.63,1.0,0.05493968884929066,0.08919882119114522,0.3669299568226989,0.40806832979233776,0.22978419916386814
EOS-2-01122,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cc1,IDDUSOIFORHJDG-UHFFFAOYSA-N,2,1,0.312,9,98,449.543,5.465,6,0.349,0.81,1.0,0.10842300047974779,0.09545267630731273,0.4442978548420259,0.48931704475361526,0.2843726440956754
EOS-2-01123,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cn5)n34)s2)cc1,XNWSCRDQUULWQO-UHFFFAOYSA-N,2,1,0.28,32,714,449.543,5.291,6,0.366,0.78,1.0,0.04555890617503941,0.07570591460489343,0.5746778836268933,0.5387739017202385,0.30867915153176617
EOS-2-01124,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)n(C(C)C)n2)n1C,PUSJCCDLRUWJAQ-UHFFFAOYSA-N,2,1,0.27,50,542,450.457,3.672,5,0.402,0.67,0.039,0.07974950311836064,0.13119388664245082,0.15114625454047015,0.11896888492906586,0.12026463230758687
EOS-2-01125,CCn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,RFPDCHMNLKBMHR-UHFFFAOYSA-N,2,1,0.357,93,774,449.543,5.465,6,0.349,0.78,1.0,0.10843156740456446,0.11441984785141526,0.2239993831814132,0.37687615653485024,0.2059317387430608
EOS-2-01126,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)s5)n34)cc2)n1,RWXUMGYOOLHXJE-UHFFFAOYSA-N,2,1,0.312,38,532,449.543,5.291,6,0.366,0.71,1.0,0.1382530326913851,0.11734116921389898,0.42212665341648964,0.39255362894935236,0.2675686210677815
EOS-2-01127,Cc1cc(=O)n(C)nc1-c1ccc(-c2nnc3cncc(OCc4ccns4)n23)nc1F,VRHAQQPSKVKQMH-UHFFFAOYSA-N,2,1,0.396,46,62,450.459,2.43,5,0.375,0.58,0.966,0.322441916249743,0.27510965663765335,0.0947673223219793,0.09105784387636214,0.19584418477143445
EOS-2-01128,CCOc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(F)s5)n34)ccn2)cn1,FYSCGSOVZOFOBE-UHFFFAOYSA-N,2,1,0.511,7,441,450.459,3.217,5,0.369,0.57,1.0,0.467685559591529,0.43469433212254127,0.1539819066547872,0.09683195120279624,0.28829843739291344
EOS-2-01129,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C)c(O)n5)n34)nc2F)s1,MNSKDKCCUFOHOV-UHFFFAOYSA-N,2,1,0.388,53,237,450.459,3.14,5,0.402,0.61,0.7,0.46047220889589474,0.42543348639572337,0.1022462476869303,0.06902371324789254,0.26429391405661024
EOS-2-01130,COc1nnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)s1,PYTLLIQGQQMIHM-UHFFFAOYSA-N,2,1,0.446,75,606,450.459,3.135,5,0.385,0.58,1.0,0.5126533479542184,0.48256630799808103,0.16990781988897266,0.1119868412034816,0.31927857926118847
EOS-2-01131,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)cc5)n34)cc2)o1,RDIZTIDSTMXPBI-UHFFFAOYSA-N,2,1,0.542,12,427,450.458,4.989,6,0.35,0.69,1.0,0.690014392433692,0.4564885888561442,0.664716263450072,0.5455674730998561,0.589196679459941
EOS-2-01132,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)o5)n34)cc2)n1,KPACTAIAGLSEDV-UHFFFAOYSA-N,2,1,0.529,28,120,450.458,4.989,6,0.35,0.67,1.0,0.46536392296621204,0.36924302652319924,0.5680299499691591,0.465029812898362,0.4669166780892331
EOS-2-01133,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)cc5)n34)nc2)cn1,SMYOXXFMXCCCDU-UHFFFAOYSA-N,2,1,0.438,28,78,450.462,3.821,6,0.377,0.68,1.0,0.394883832499486,0.16895689123432253,0.517844904393119,0.417680419436639,0.37484151189089165
EOS-2-01134,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ccon6)n5)n34)c2)cn1,YJJOURFKJRTGLX-UHFFFAOYSA-N,2,1,0.506,28,609,450.462,3.821,6,0.377,0.65,1.0,0.270038037146186,0.1689654581591392,0.41091254883147144,0.3348039887601946,0.29618000822424784
EOS-2-01135,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)cc1,ISUYPHCHVYKGJK-UHFFFAOYSA-N,2,1,0.506,89,637,450.462,2.809,5,0.378,0.84,1.0,0.4560345418408608,0.18181584538414092,0.5141354259475018,0.3639315331368652,0.3789793365773422
EOS-2-01136,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)c2)cn1,SEUATBSNAUCNLS-UHFFFAOYSA-N,2,1,0.524,40,78,450.462,3.821,6,0.377,0.73,1.0,0.487517990542115,0.23391131519429786,0.5872198615584949,0.4713693372626962,0.44500462613940095
EOS-2-01137,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccoc6)nn5)n34)cc2)n1,LHAQPLLBRIBSCQ-UHFFFAOYSA-N,2,1,0.472,81,117,450.462,3.821,6,0.377,0.62,1.0,0.4213213624837228,0.26464944143650193,0.3895552052635186,0.31891234322527584,0.34860958810225484
EOS-2-01138,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)nc5)n34)cc2)n[nH]1,OZJCTKGRWVULMK-UHFFFAOYSA-N,2,1,0.535,28,120,450.462,4.119,6,0.402,0.66,1.0,0.6443184154615859,0.4254420533205401,0.47244020286477967,0.37022822287711604,0.47810722363100544
EOS-2-01139,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cn2)o1,QCKHTSNUNFISKS-UHFFFAOYSA-N,2,1,0.462,6,932,450.462,3.914,6,0.376,0.69,1.0,0.32245048317455965,0.29090706599958877,0.37865807689671716,0.28514152559797135,0.31928928791720923
EOS-2-01140,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cn[nH]c6)c5)n34)c2)no1,FACHFJXTQDBILJ-UHFFFAOYSA-N,2,1,0.473,77,857,450.462,4.119,6,0.402,0.66,1.0,0.49742135563018297,0.35955383455554796,0.44781029401685973,0.389700842985402,0.42362158179699816
EOS-2-01141,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)n1,VHBYLBYZNQOHGT-UHFFFAOYSA-N,2,1,0.506,67,722,450.462,4.343,6,0.381,0.69,1.0,0.44896682886710987,0.269858131725036,0.3822133506956343,0.29711808649167293,0.3495390994448633
EOS-2-01142,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccon5)n4)n23)cc1,HAJCMBPEORGQKR-UHFFFAOYSA-N,2,1,0.517,28,609,450.462,3.821,6,0.377,0.68,1.0,0.4560431087656775,0.24457713659104927,0.4042217805496539,0.32507196216846,0.35747849701871015
EOS-2-01143,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnco5)nc4)n23)cc1,LJIHPJWSQOUJLH-UHFFFAOYSA-N,2,1,0.536,40,2,450.462,3.821,6,0.377,0.64,1.0,0.49256390925913235,0.1536135288876705,0.48971112329518196,0.3768847234596669,0.37819332122541294
EOS-2-01144,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cocn5)n4)n23)cc1,UFIKNVYDKXIKOC-UHFFFAOYSA-N,2,1,0.517,28,609,450.462,3.821,6,0.377,0.63,1.0,0.4875265574669317,0.25959495579466796,0.4145449249537386,0.3282417243506271,0.3724770406414913
EOS-2-01145,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,PGMRIEVFDKVUHC-UHFFFAOYSA-N,2,1,0.362,9,867,450.462,3.917,6,0.389,0.69,1.0,0.335180933452128,0.09215441025289563,0.4478188609416764,0.33174559660064423,0.30172495031183605
EOS-2-01146,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ocnc6C)cc5)n34)cc2)c1,YCUMBHNAEILRQW-UHFFFAOYSA-N,2,1,0.322,69,898,449.539,6.459,6,0.309,0.69,1.0,0.16594133369885547,0.165024672743472,0.7258070043177302,0.6696251113700226,0.43159953053252
EOS-2-01147,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccco5)n4)n23)cc1,KJIYXSCQWKTVGJ-UHFFFAOYSA-N,2,1,0.529,81,609,450.462,3.821,6,0.377,0.71,1.0,0.4489753957919265,0.22920807346994723,0.3075440339935577,0.2615225138784182,0.3118125042834624
EOS-2-01148,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cc5)n34)cc2)o1,GCNKTJWGPIQELA-UHFFFAOYSA-N,2,1,0.523,77,190,450.462,3.914,6,0.376,0.74,1.0,0.3969227606058529,0.27511822356247,0.5071619491467343,0.39555205263518606,0.39368874648756086
EOS-2-01149,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n(C)n2)o1,MPBSRTJZHKZVJK-UHFFFAOYSA-N,2,1,0.417,12,285,450.462,4.343,6,0.381,0.76,1.0,0.3860427660886848,0.2855270372147214,0.22400795010622987,0.22915667192104722,0.2811836063326708
EOS-2-01150,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)nc2)no1,WSAFXHLFMQPPBO-UHFFFAOYSA-N,2,1,0.4,6,603,450.462,3.914,6,0.376,0.76,1.0,0.3768333219107669,0.20886162703036118,0.32604002467274346,0.2793245836474539,0.29776488931533135
EOS-2-01151,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)c2)no1,GAMMNMBRRHGAAR-UHFFFAOYSA-N,2,1,0.494,77,763,450.462,4.119,6,0.402,0.66,1.0,0.635545884449318,0.44315845384140906,0.40423034747447056,0.34119491467342883,0.4560324001096566
EOS-2-01152,COc1cc(-c2nc(C)co2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,XOJBMKYEUPJAJS-UHFFFAOYSA-N,2,1,0.322,9,537,450.462,4.215,6,0.415,0.66,1.0,0.3584829689534645,0.1777208553217737,0.42592180111027345,0.3002707148242067,0.31559908505242956
EOS-2-01153,COc1nc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)ccc1-c1cncnc1,MCSYIMHFMLWDHB-UHFFFAOYSA-N,2,1,0.523,49,501,450.462,3.145,5,0.368,0.74,0.993,0.6781320677129737,0.44316702076622577,0.5178534713179357,0.4017802069769036,0.5102331916935097
EOS-2-01154,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)o1,QGAMXPAFDNZOMR-UHFFFAOYSA-N,2,1,0.511,40,932,450.462,3.914,6,0.376,0.69,1.0,0.32766774038791036,0.2909156329244055,0.41836577342197245,0.3067387430607909,0.33592197244876976
EOS-2-01155,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cc2)n1,FVZPPHZMITYANN-UHFFFAOYSA-N,2,1,0.5,77,933,450.462,3.914,6,0.376,0.77,1.0,0.47788020012336374,0.27512679048728667,0.3932389829346858,0.309934206017408,0.36404504489068606
EOS-2-01156,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccon5)c4)n23)cc1,UBQRFCJISQTZTQ-UHFFFAOYSA-N,2,1,0.488,40,2,450.462,3.821,6,0.377,0.64,1.0,0.5785329997943938,0.30592488520320743,0.41092111575628815,0.32508052909327667,0.4051148824617915
EOS-2-01157,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncco5)c4)n23)cn1,NYJDOLOFXGDMPY-UHFFFAOYSA-N,2,1,0.451,28,297,450.462,3.821,6,0.377,0.71,1.0,0.5001713384963333,0.25450620245356725,0.42930573641285724,0.3348125556850113,0.3796989582619423
EOS-2-01158,COc1nc(-c2cc[nH]n2)ccc1-c1nnc2cncc(OCc3ccc4ccccc4n3)n12,DRJSTXQWSRKPJX-UHFFFAOYSA-N,2,1,0.45,1,891,450.462,3.712,6,0.408,0.62,0.992,0.4441693509697759,0.3786837776711672,0.28593824960592146,0.2319237886368309,0.33517879172092385
EOS-2-01159,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)n1,KLPBGVOCZISARL-UHFFFAOYSA-N,2,1,0.544,77,245,450.462,3.821,6,0.377,0.68,1.0,0.5617589610033582,0.34994174491124663,0.49992289767665,0.39556061956000277,0.4517960557878144
EOS-2-01160,COc1cc(-c2nnc(C)o2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,WFKNHFJOERCQIK-UHFFFAOYSA-N,2,1,0.337,30,668,450.462,4.011,6,0.388,0.68,1.0,0.10348845178534713,0.11734973613871565,0.32604859159756017,0.25839558632033444,0.20132059146048936
EOS-2-01161,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)cc5)n34)cc2)n[nH]1,XUJCUYDJDAGAQB-UHFFFAOYSA-N,2,1,0.506,77,763,450.462,4.119,6,0.402,0.62,1.0,0.7356247001576314,0.4431755876910424,0.49993146460146665,0.4114865327941882,0.5225545713110822
EOS-2-01162,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)nn1,QMXDNVOSUNJTDJ-UHFFFAOYSA-N,2,1,0.5,12,285,450.462,3.821,6,0.377,0.73,1.0,0.37208724556233297,0.30593345212802414,0.29310019875265575,0.30339764238229044,0.3186296347063258
EOS-2-01163,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cc(C)[nH]n4)cc3)n12,HTJDRUWMBJEPAX-UHFFFAOYSA-N,2,1,0.333,9,340,450.462,4.215,6,0.415,0.59,1.0,0.36758104310876566,0.19039990405044205,0.507170516071551,0.38970940991021863,0.36371521828524433
EOS-2-01164,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccn(C)n4)cc3)n12,ZKJGNMDFPHHYRK-UHFFFAOYSA-N,2,1,0.354,9,340,450.462,3.917,6,0.389,0.72,1.0,0.27503255431430335,0.11735830306353232,0.48643855801521485,0.36394010006168187,0.31069237886368306
EOS-2-01165,COc1cccnc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5cnc(C)o5)cc4)n23)c1,WURMVSFDVKBYFJ-UHFFFAOYSA-N,2,1,0.33,38,303,450.462,4.011,6,0.388,0.64,1.0,0.21575800150777877,0.16503323966828867,0.3520749091905969,0.24364334178603247,0.24412737303817422
EOS-2-01166,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,APMKZRSOYGVRGU-UHFFFAOYSA-N,2,1,0.494,77,933,450.462,3.914,6,0.376,0.65,1.0,0.5488143376053731,0.26986669864985263,0.4897196902199986,0.3702367898019327,0.41965937906928924
EOS-2-01167,COc1cc(-c2n[nH]c(C)n2)ccc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,NOFJLOUODXNCDE-UHFFFAOYSA-N,2,1,0.322,9,38,450.462,4.215,6,0.415,0.7,1.0,0.312744157357275,0.12442601603728326,0.43690459872524157,0.3380679871153451,0.30303568980878626
EOS-2-01168,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,IQIWGWXVNYZIGW-UHFFFAOYSA-N,2,1,0.483,77,611,450.462,4.119,6,0.402,0.64,1.0,0.5785415667192104,0.43896066068124184,0.27492118429168666,0.252347337399767,0.3861926872729765
EOS-2-01169,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cc2)o1,RNQZAIKLVSCDHA-UHFFFAOYSA-N,2,1,0.59,40,2,450.462,3.914,6,0.376,0.68,1.0,0.3860513330135015,0.26465800836131864,0.4109296826811048,0.30027928174902335,0.3404795764512371
EOS-2-01170,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2)cn1,KXBDALRJHQUBSY-UHFFFAOYSA-N,2,1,0.524,77,245,450.462,3.821,6,0.377,0.66,1.0,0.5384226578027551,0.335155232677678,0.5579038448358578,0.452547803440477,0.47100738468919195
EOS-2-01171,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cn5)n34)cc2)o1,ZQRVIYLITIWSOV-UHFFFAOYSA-N,2,1,0.495,40,932,450.462,3.914,6,0.376,0.64,1.0,0.392613597423069,0.3162051949832088,0.47935371119183057,0.3476458090603797,0.383954578164622
EOS-2-01172,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)cn1,QLRADVHPIKAPQX-UHFFFAOYSA-N,2,1,0.432,40,518,450.462,3.821,6,0.377,0.74,1.0,0.4653724898910287,0.2959101500925228,0.4221352203413063,0.34449318072784596,0.3819777602631759
EOS-2-01173,Cc1nccn1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccco5)cn4)n23)n1,MFSQINKXNISKQH-UHFFFAOYSA-N,2,1,0.398,6,414,450.462,3.914,6,0.376,0.69,1.0,0.25397505311493385,0.15362209581248715,0.2749297512165033,0.21167157837022824,0.22354961962853812
EOS-2-01174,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cocn6)n5)n34)cc2)cn1,DHQTTWRBOGMLLC-UHFFFAOYSA-N,2,1,0.523,81,609,450.462,3.821,6,0.377,0.64,1.0,0.38139949283805086,0.26987526557466934,0.4369131656500583,0.3412034815982455,0.357347851415256
EOS-2-01175,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccccc5)o4)n23)cc1,RHARJJDXVIPVIK-UHFFFAOYSA-N,2,1,0.472,77,937,450.462,3.821,6,0.377,0.72,1.0,0.48267767802069766,0.3059420190528408,0.2207268179014461,0.20266774038791036,0.3030035638407237
EOS-2-01176,Cn1cnnc1-c1ncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)o1,FNPBUCLHAWBIQF-UHFFFAOYSA-N,2,1,0.524,12,285,450.462,3.821,6,0.377,0.65,1.0,0.5704886573915428,0.3452213693372627,0.22401651703104652,0.25235590432458366,0.3480206120211089
EOS-2-01177,COc1nc(-c2cncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)nc3)n12,JNGPSTGMOBYOIG-UHFFFAOYSA-N,2,1,0.302,76,191,450.462,3.917,6,0.389,0.66,1.0,0.33274792680419435,0.10487629360564732,0.31880954012747587,0.2319323555616476,0.24709152902474127
EOS-2-01178,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)no5)n34)cc2)n1,DJYZWVZXCGSSSP-UHFFFAOYSA-N,2,1,0.464,77,857,450.462,3.821,6,0.377,0.75,1.0,0.4778887670481804,0.34012404907134536,0.23870879309163182,0.21727434720032898,0.3184989891028716
EOS-2-01179,COc1cc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)ccc1-c1cc(C)ncn1,ABMDEQLSXAPQQA-UHFFFAOYSA-N,2,1,0.568,89,591,450.462,3.411,5,0.383,0.74,1.0,0.6325217599890344,0.36423137550544854,0.6093739291343979,0.40462442601603726,0.5026878726612295
EOS-2-01180,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccno5)cc4)n23)cc1,JCHQHPUXSHLKAI-UHFFFAOYSA-N,2,1,0.538,77,190,450.462,3.821,6,0.377,0.71,1.0,0.48517065314234803,0.24958022068398328,0.455100747035844,0.3830357754780344,0.3932218490850525
EOS-2-01181,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)n1,JVKORHKDDGMCFN-UHFFFAOYSA-N,2,1,0.524,77,323,450.462,3.821,6,0.377,0.69,1.0,0.5409584675484888,0.3452299362620794,0.4827804811184977,0.3897179768350353,0.43967171544102523
EOS-2-01182,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccoc5)nn4)n23)cc1,NDZPKHMPLUQBIA-UHFFFAOYSA-N,2,1,0.477,40,25,450.462,3.821,6,0.377,0.62,1.0,0.47526728805428003,0.2596035227194846,0.35208347611541363,0.2910441367966555,0.34449960592145845
EOS-2-01183,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nc[nH]n6)c5)n34)cn2)cn1,DMGQLNHAIGROBS-UHFFFAOYSA-N,2,1,0.442,6,425,450.466,2.951,6,0.411,0.72,1.0,0.4259560688095401,0.30595058597765745,0.3369714207388116,0.25840415324515115,0.3318205571927901
EOS-2-01184,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,YWHUEBPJJHLDJO-UHFFFAOYSA-N,2,1,0.414,81,763,450.466,2.951,6,0.411,0.57,1.0,0.43053080666164073,0.3546621204852306,0.22073538482626276,0.19137653347954217,0.29932621136316906
EOS-2-01185,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)cn1,QMHUHBZHGYBTKX-UHFFFAOYSA-N,2,1,0.4,67,789,450.466,3.175,6,0.393,0.73,1.0,0.3152799671030087,0.1994894112809266,0.2967839764238229,0.21467856898087861,0.2565579809471592
EOS-2-01186,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncnn4-c4ccccc4)n23)cc1,MCLHAJJZPSOHDP-UHFFFAOYSA-N,2,1,0.464,67,807,450.466,2.747,6,0.381,0.63,1.0,0.45605167569049415,0.23947981632513193,0.110093550818998,0.11444554862586526,0.23001764786512235
EOS-2-01187,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)nn1,XBTXHPQZILRFPL-UHFFFAOYSA-N,2,1,0.489,67,611,450.466,2.951,6,0.411,0.6,1.0,0.4582362415187444,0.269883832499486,0.3188181070522925,0.26443526831608527,0.32784336234665207
EOS-2-01188,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-n4cccn4)n23)cc1,KIDSHOFBWADUEB-UHFFFAOYSA-N,2,1,0.462,71,2,450.466,2.747,6,0.381,0.59,1.0,0.35849153587828114,0.16897402508395587,0.18625351243917485,0.15613220478377082,0.21746281954629565
EOS-2-01189,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6ccncn6)nn5C)n34)cc2)cn1,NGAVAHAXHVNEIJ-UHFFFAOYSA-N,2,1,0.374,56,622,450.466,3.175,6,0.393,0.69,1.0,0.36522513878418206,0.25961208964430127,0.2895192241792886,0.20850181618806113,0.28071456719895826
EOS-2-01190,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nncn6C)cn5)n34)cc2)n[nH]1,FDMVGXLGVPAURE-UHFFFAOYSA-N,2,1,0.353,67,622,450.466,3.473,6,0.423,0.67,1.0,0.3837553971626345,0.28015557535467067,0.2456822698923994,0.18868651908710848,0.27456994037420324
EOS-2-01191,Cn1nc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,QHNNXSDBBWMZLO-UHFFFAOYSA-N,2,1,0.426,56,763,450.466,2.951,6,0.411,0.65,1.0,0.4418819820437256,0.3692515934480159,0.10744637105064767,0.11199540812829827,0.2576438386676719
EOS-2-01192,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)c2)n1,HGKRVBQRDUXTDE-UHFFFAOYSA-N,2,1,0.5,67,755,450.466,2.951,6,0.411,0.6,1.0,0.6046706874100473,0.36926016037283255,0.2601946405318347,0.2378092659858817,0.36798368857514907
EOS-2-01193,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cc4)n23)cc1,AHAHKGBRAFEHAV-UHFFFAOYSA-N,2,1,0.512,67,245,450.466,2.747,6,0.381,0.78,1.0,0.3492221232266466,0.16898259200877253,0.28952779110410526,0.23478514152559798,0.2606294119662806
EOS-2-01194,Cn1c(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nnc1-c1ccccn1,XZCDSTZOYQFOTE-UHFFFAOYSA-N,2,1,0.418,81,763,450.466,2.951,6,0.411,0.67,1.0,0.4188883558357892,0.3546706874100473,0.07844733054622713,0.0968405181276129,0.23721172297991916
EOS-2-01195,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cc5)n34)cn2)n[nH]1,NGUOSJROEHAHBE-UHFFFAOYSA-N,2,1,0.417,6,547,450.466,3.045,6,0.411,0.76,1.0,0.28890240559248853,0.2292166403947639,0.3188266739771092,0.24924611061613322,0.27154795764512374
EOS-2-01196,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,HTXYCBIGMASJAK-UHFFFAOYSA-N,2,1,0.473,56,425,450.466,2.951,6,0.411,0.64,1.0,0.492572476183949,0.2394883832499486,0.35585292303474747,0.2644438352409019,0.3380894044273867
EOS-2-01197,Cc1cc(-c2nncn2C)ccc1Oc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,JIYYUNWLGBYVDG-UHFFFAOYSA-N,2,1,0.432,67,789,450.466,3.473,6,0.423,0.62,1.0,0.4489839627167432,0.2751353574121034,0.28236584195737097,0.21728291412514564,0.30594201905284074
EOS-2-01198,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4cccnc4-n4cccc4)n23)c1,JPHCDZRMXNUZDD-UHFFFAOYSA-N,2,1,0.392,6,843,450.466,2.747,6,0.381,0.61,1.0,0.21576656843259542,0.14576622575560277,0.20684839969844424,0.17756665067507368,0.18648696114042904
EOS-2-01199,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(C)n(C)n6)cn5)n34)cc2)o1,APFDOTTZHVOZFQ-UHFFFAOYSA-N,2,1,0.33,98,424,450.466,3.316,6,0.397,0.7,1.0,0.14377869919813585,0.0954612432321294,0.06170755945445823,0.04427386745253924,0.08630534233431568
EOS-2-01200,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6nc[nH]n6)n5)n34)c2)cn1,VYQDSUGDNWIUTP-UHFFFAOYSA-N,2,1,0.448,81,506,450.466,2.951,6,0.411,0.57,1.0,0.26716811733260226,0.19486327187992597,0.25633952436433416,0.202676307312727,0.23026180522239734
EOS-2-01201,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cn5)n34)cc2)n[nH]1,PBUMRQUTTNNUMR-UHFFFAOYSA-N,2,1,0.474,40,932,450.466,3.045,6,0.411,0.67,1.0,0.24318072784593242,0.22414502090329655,0.3150743609074087,0.24365190871084916,0.2565130045918717
EOS-2-01202,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cn1,XYTBGCPCXPXPJM-UHFFFAOYSA-N,2,1,0.392,56,428,450.466,2.951,6,0.411,0.6,1.0,0.4560602426153108,0.32119971215132614,0.25309265985881707,0.1967479953395929,0.30677515249126175
EOS-2-01203,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cc2)n[nH]1,UATHYCFXMGBKRO-UHFFFAOYSA-N,2,1,0.529,56,425,450.466,3.045,6,0.411,0.71,1.0,0.38376396408745117,0.2188078267425125,0.21366767185251181,0.15343362346652045,0.24241827153724899
EOS-2-01204,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)nn4)n23)cc1,NABDVPKMCQPMJH-UHFFFAOYSA-N,2,1,0.462,71,415,450.466,2.747,6,0.381,0.6,1.0,0.27260811459118633,0.24458570351586595,0.20685696662326092,0.17757521759989034,0.2254065005825509
EOS-2-01205,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nc5)n34)cc2)n[nH]1,DZONYLTUMIJMPK-UHFFFAOYSA-N,2,1,0.495,40,763,450.466,3.045,6,0.411,0.66,1.0,0.39693132753066956,0.21371907340141183,0.32237338085120965,0.2436604756356658,0.2941710643547392
EOS-2-01206,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)cn1,LIQPMOPEJGIFMA-UHFFFAOYSA-N,2,1,0.478,56,425,450.466,2.951,6,0.411,0.69,1.0,0.4752758549790967,0.23391988211911452,0.4042389143992872,0.3034062093071071,0.35421021520115137
EOS-2-01207,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4cccc(-c5c[nH]nn5)c4)n23)nc1,BGDYBEYEPBMMSN-UHFFFAOYSA-N,2,1,0.446,40,932,450.466,3.045,6,0.411,0.59,1.0,0.27004660407100267,0.17345452676307313,0.31883524090192583,0.23479370845041464,0.24928252004660406
EOS-2-01208,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nc5)n34)cc2)cn1,REINZDZTFGAMJL-UHFFFAOYSA-N,2,1,0.511,56,415,450.466,2.746,6,0.381,0.74,1.0,0.3629035021588651,0.19487183880474265,0.3594852991570146,0.2675964635734357,0.29621427592351446
EOS-2-01209,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)n[nH]1,JAMNQWBESGSRGK-UHFFFAOYSA-N,2,1,0.495,56,932,450.466,3.045,6,0.411,0.68,1.0,0.29166095538345554,0.23949695017476527,0.22074395175107944,0.15889932149955452,0.2277002947022137
EOS-2-01210,Cn1nccc1-c1ncccc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,KRDZKUKXXYIIJV-UHFFFAOYSA-N,2,1,0.451,56,425,450.466,2.951,6,0.411,0.59,1.0,0.49002809951339865,0.26989239942430265,0.23152114317044753,0.18054794051127407,0.2929973956548557
EOS-2-01211,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cncn5)cc4)n23)cc1,WXWGUYAJSQRMQI-UHFFFAOYSA-N,2,1,0.512,67,755,450.466,2.747,6,0.381,0.75,1.0,0.512661914879035,0.2445942704406826,0.3112363785895415,0.2555599342060174,0.33101312452881915
EOS-2-01212,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-n4cccn4)n23)cn1,OWHGRALHEQPLGM-UHFFFAOYSA-N,2,1,0.423,6,843,450.466,2.746,6,0.381,0.61,1.0,0.2916695223082722,0.1420653142348023,0.17653861969707355,0.13427797957645124,0.18613785895414983
EOS-2-01213,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nc[nH]n6)n5)n34)cc2)n1,BEFZAOGNAPJQHW-UHFFFAOYSA-N,2,1,0.458,81,609,450.466,2.951,6,0.411,0.62,1.0,0.39262216434788566,0.28553560413953805,0.2207525186758961,0.16941950517442259,0.2670824480844356
EOS-2-01214,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cnn(C)c6)cn5)n34)cc2)n[nH]1,BFRHJPITQADMOS-UHFFFAOYSA-N,2,1,0.382,56,622,450.466,3.473,6,0.423,0.69,1.0,0.3537197587553972,0.2699009663491193,0.2931087656774724,0.19410081557124254,0.27770757658830786
EOS-2-01215,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)n1,KJCPZZDANLLTOX-UHFFFAOYSA-N,2,1,0.5,71,932,450.466,2.746,6,0.381,0.61,1.0,0.3251062298677267,0.18617641011582484,0.25634809128915087,0.18869508601192517,0.2390814543211569
EOS-2-01216,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cc2)n1,VZUCBRHFGNWCRV-UHFFFAOYSA-N,2,1,0.529,56,415,450.466,2.746,6,0.381,0.71,1.0,0.39263073127270237,0.2040384483585772,0.21034370502364472,0.15096634911932014,0.2394948084435611
EOS-2-01217,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)n1,CQDGFNLVYLHRQH-UHFFFAOYSA-N,2,1,0.5,56,425,450.466,2.951,6,0.411,0.63,1.0,0.37453738605989995,0.2646665752861353,0.2967925433486396,0.2146871359056953,0.2876709101500925
EOS-2-01218,COc1ccc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5c[nH]c(C)n5)c4)n23)cn1,ZXCGZIITTAGDJW-UHFFFAOYSA-N,2,1,0.265,82,151,450.466,3.141,6,0.425,0.55,1.0,0.023430539373586457,0.045773079295456105,0.19618257830169283,0.12981461174696732,0.09880020217942567
EOS-2-01219,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)cn2)n1,DIWWEVKQCWMMLQ-UHFFFAOYSA-N,2,1,0.633,6,104,450.466,2.746,6,0.381,0.61,1.0,0.13578575834418477,0.15737440888218765,0.144960934822836,0.12780995133986703,0.14148276334726886
EOS-2-01220,CCn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cccc(-c5cc[nH]n5)n4)n23)cc1,DZEKWLZGTMOKBP-UHFFFAOYSA-N,2,1,0.362,67,622,450.466,3.647,6,0.408,0.64,1.0,0.470058597765746,0.34523850318689603,0.17336029059008978,0.1434445891302858,0.28302549516825437
EOS-2-01221,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)nn1,KZMQLUILNBPVSF-UHFFFAOYSA-N,2,1,0.379,67,789,450.466,3.175,6,0.393,0.64,1.0,0.4165924199849222,0.3008532657117401,0.21700877253101228,0.16942807209923927,0.27597063258172844
EOS-2-01222,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6ccccc6)n5)n34)cc2)n1,GXMJXODNKBKXMM-UHFFFAOYSA-N,2,1,0.459,67,807,450.466,2.746,6,0.381,0.67,1.0,0.392639298197519,0.26990953327393596,0.11287780138441506,0.10096120896443013,0.21909696045507504
EOS-2-01223,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nnc(C)o6)cc5)n34)n2)n(C)n1,DUXFNYUMBHXQLP-UHFFFAOYSA-N,2,1,0.319,98,193,450.466,3.316,6,0.397,0.66,1.0,0.1034970187101638,0.06839832773627579,0.043408608046055785,0.03590398190665479,0.06280198409978754
EOS-2-01224,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,BNLVNBXLCJGWRA-UHFFFAOYSA-N,2,1,0.506,67,755,450.466,2.951,6,0.411,0.64,1.0,0.6074292372010143,0.3351637996024947,0.27860496196285384,0.2348022753752313,0.3640000685353985
EOS-2-01225,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,UFFZTISTSPXWGM-UHFFFAOYSA-N,2,1,0.523,77,763,450.466,2.951,6,0.411,0.67,1.0,0.5202093756425193,0.37869234459598383,0.2563566582139675,0.25556850113083407,0.35270671989582625
EOS-2-01226,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnn(-c6ccccc6)n5)n34)cc2)n1,ORDQRJPCBDANHS-UHFFFAOYSA-N,2,1,0.436,67,288,450.466,2.746,6,0.381,0.64,1.0,0.272616681516003,0.24958878760879993,0.104987663628264,0.10514186827496402,0.18308375025700774
EOS-2-01227,Cn1nc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cc1-c1cccnc1,ZUESJUVBMDBQNO-UHFFFAOYSA-N,2,1,0.447,6,547,450.466,2.747,6,0.381,0.63,1.0,0.08393016242889452,0.06840689466109245,0.1862620793639915,0.15344219039133714,0.12301033171132889
EOS-2-01228,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cn2)c1,YSPWWJBZXIHAOH-UHFFFAOYSA-N,2,1,0.478,6,843,450.466,2.746,6,0.381,0.66,1.0,0.36291206908368173,0.21372764032622849,0.2315297100952642,0.16666952230827223,0.2437097354533617
EOS-2-01229,Cn1nc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)cc1-c1cccnn1,IPISAQGVLWGTPO-UHFFFAOYSA-N,2,1,0.364,6,826,450.466,2.746,6,0.381,0.61,0.994,0.21043794119662806,0.06067952847645809,0.2387173600164485,0.20566616407374408,0.17887524844081967
EOS-2-01230,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cc4)n23)c1,QNGSAISVNLAVJW-UHFFFAOYSA-N,2,1,0.478,71,807,450.466,2.747,6,0.381,0.71,1.0,0.31528853402782536,0.20404701528339386,0.3296981015694606,0.2793331505722706,0.2820917003632376
EOS-2-01231,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccnc4-n4cccn4)n23)ccn1,XCJLQQZODDZJRJ-UHFFFAOYSA-N,2,1,0.442,6,597,450.466,2.747,6,0.381,0.6,1.0,0.2564251936125009,0.09848536769241313,0.17972551572887396,0.1387584812555685,0.1683486395723391
EOS-2-01232,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)c1,JRJUNIQOASTAFK-UHFFFAOYSA-N,2,1,0.402,80,211,450.466,2.747,6,0.381,0.65,0.999,0.1911280926598588,0.08920738811596189,0.31124494551435816,0.22581557124254678,0.20434899938318143
EOS-2-01233,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cnn(C)c4)cn3)n12,VQKVRLZUDLZKMF-UHFFFAOYSA-N,2,1,0.272,98,154,450.466,3.048,6,0.425,0.68,1.0,0.0715081214447262,0.049285518470289905,0.3483654307449798,0.2436690425604825,0.17820702830511959
EOS-2-01234,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cn1,OQMPVHFGDFHAOO-UHFFFAOYSA-N,2,1,0.423,56,350,450.466,2.951,6,0.411,0.65,1.0,0.4120433829072716,0.28554417106435476,0.3112535124391748,0.2406534850250154,0.31237363785895417
EOS-2-01235,CCn1nncc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5cnc(C)o5)cc4)n23)cn1,IRQLIVPDQJHVIH-UHFFFAOYSA-N,2,1,0.28,42,303,450.466,3.49,6,0.388,0.65,1.0,0.06033685148379138,0.10168939757384689,0.08551504351997807,0.08019498320882736,0.08193406894661093
EOS-2-01236,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3cnn(C)c3-c3ccccn3)n12,GFFDJLJYWYVJCH-UHFFFAOYSA-N,2,1,0.29,98,154,450.466,3.048,6,0.425,0.57,0.998,0.12733877047495032,0.0757144815297101,0.18938900692207525,0.1534507573161538,0.13647325406072236
EOS-2-01237,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)c1,LHQVIOFBGPICBR-UHFFFAOYSA-N,2,1,0.432,80,816,450.466,2.747,6,0.381,0.62,1.0,0.28598965115482144,0.16504180659310533,0.35949386608183126,0.2615310808032349,0.26801410115824825
EOS-2-01238,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5cc[nH]n5)n4)n23)ccn1,SGLMGVPHUVBLTD-UHFFFAOYSA-N,2,1,0.458,24,597,450.466,2.951,6,0.411,0.61,1.0,0.28599821807963816,0.1948804057295593,0.23872592694126515,0.18055650743609075,0.22504026454663834
EOS-2-01239,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)c1,CMORPKFKUPGYQH-UHFFFAOYSA-N,2,1,0.417,6,181,450.466,2.747,6,0.381,0.7,1.0,0.17963127955589062,0.05309780001370708,0.2531012267836337,0.18582516619834144,0.16791386813789322
EOS-2-01240,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)n6C)o5)n34)nc2)n1,TZWQOYSJGXPHLU-UHFFFAOYSA-N,2,1,0.255,99,794,450.466,3.316,6,0.397,0.61,0.184,0.04691248029607292,0.011659584675484887,0.05776677403879103,0.05093893495990679,0.04181944349256391
EOS-2-01241,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cc1,AZOZPZHRFQXGPR-UHFFFAOYSA-N,2,1,0.517,67,932,450.466,2.747,6,0.381,0.62,1.0,0.2971095195668563,0.17346309368788979,0.2240250839558632,0.17758378452470702,0.21804537043382907
EOS-2-01242,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)c1,YJBGDCXYBQCVFU-UHFFFAOYSA-N,2,1,0.474,71,547,450.466,2.746,6,0.381,0.58,1.0,0.15490713453498733,0.14968131039681995,0.24942601603728326,0.20567473099856076,0.1899222979919128
EOS-2-01243,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)cn2)cn1,FGKCVUZMZCVQFD-UHFFFAOYSA-N,2,1,0.633,6,104,450.466,2.746,6,0.381,0.67,1.0,0.08871050647659516,0.14577479268041943,0.18627064628880816,0.16162360359125488,0.1455948872592694
EOS-2-01244,CCn1ncc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c1-c1nnc(C)o1,XCNCRBWIRMMUAB-UHFFFAOYSA-N,2,1,0.307,70,899,450.466,3.49,6,0.388,0.64,1.0,0.03816565005825509,0.05310636693852375,0.046809677198272906,0.05631896374477417,0.04860016448495648
EOS-2-01245,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2)n[nH]1,GBGIGQVXPUZBPY-UHFFFAOYSA-N,2,1,0.433,81,932,450.466,3.045,6,0.411,0.55,0.989,0.33754540470152833,0.2699181001987527,0.21035227194846137,0.17222945651428964,0.24751130834075802
EOS-2-01246,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)nc2)n[nH]1,OANBGOJWOWBSPG-UHFFFAOYSA-N,2,1,0.398,6,547,450.466,3.045,6,0.411,0.65,0.993,0.2157751353574121,0.1611352888767048,0.24222123226646564,0.17759235144952368,0.19918100198752656
EOS-2-01247,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cn1,YZSGRNUPYVQOEI-UHFFFAOYSA-N,2,1,0.443,80,547,450.466,2.746,6,0.381,0.56,1.0,0.25152491261736687,0.18182441230895757,0.18627921321362484,0.1342865465012679,0.18847877116030431
EOS-2-01248,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5nnn(-c6ccccc6)n5)n34)cc2)n[nH]1,SMEBVQVLEVNXGS-UHFFFAOYSA-N,2,1,0.419,77,288,450.466,3.045,6,0.411,0.55,0.98,0.33980707285312867,0.29591871701733946,0.11288636830923172,0.11897745185388253,0.2168974025083956
EOS-2-01249,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cc5)n34)cc2)n1,ODLIMRJCVNSRHB-UHFFFAOYSA-N,2,1,0.532,67,722,450.466,3.175,6,0.393,0.67,1.0,0.3904804331437187,0.2446028373654993,0.1961911452265095,0.16400520869028853,0.248819906106504
EOS-2-01250,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)cc5C)n34)cc2)o1,OPLDNUMJPRGCJU-UHFFFAOYSA-N,2,1,0.278,98,424,450.466,3.316,6,0.397,0.64,1.0,0.05850352957302447,0.06482592008772531,0.1391268590226852,0.11200397505311493,0.09361507093413747
EOS-2-01251,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)n1,WNMSZLYGAWVTFZ-UHFFFAOYSA-N,2,1,0.512,67,245,450.466,2.951,6,0.411,0.76,1.0,0.5461414570625728,0.35467925433486397,0.3747087245562333,0.3034147762319238,0.39473605304639847
EOS-2-01252,Cc1cnnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)n(C)n2)n1,NSCUNENTUIMWFE-UHFFFAOYSA-N,2,1,0.291,98,303,450.466,3.316,6,0.397,0.61,0.999,0.06752450140497566,0.0722791446782263,0.09975327256527997,0.08364745390994449,0.0808010931396066
EOS-2-01253,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)n(C)n2)nn1,KGHPOXFCOAMOGS-UHFFFAOYSA-N,2,1,0.305,98,303,450.466,3.316,6,0.397,0.6,1.0,0.07739359879377698,0.08921595504077856,0.09252278802001233,0.07867863751627716,0.08445274484271126
EOS-2-01254,FC(F)Oc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccsc5)n34)c2)cc1,GUQBMFFLKGBRPB-UHFFFAOYSA-N,2,1,0.658,1,640,450.47,5.7,5,0.318,0.81,1.0,0.932072853128641,0.8653793434308821,0.9586560208347612,0.9414279350284422,0.9243840381056816
EOS-2-01255,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)cc1,CJTVRIDCWLRBOH-UHFFFAOYSA-N,2,1,0.794,1,640,450.47,5.7,5,0.318,0.82,1.0,0.9736310054142965,0.8953207456651361,0.9646014666575287,0.9469621684600096,0.9451288465492427
EOS-2-01256,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)nc1,NIFHZZAZMPWFQH-UHFFFAOYSA-N,2,1,0.282,99,286,450.47,2.322,6,0.388,0.71,0.998,0.10350558563498047,0.04215783702282229,0.024544239599753274,0.023396271674319787,0.04840098348296895
EOS-2-01257,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)s4)n23)ccc1-c1ccccc1,WDNQQHAKQCUHDX-UHFFFAOYSA-N,2,1,0.518,1,955,450.47,5.386,5,0.347,0.64,1.0,0.8995699403742032,0.85039579192653,0.9037763004591872,0.860401960112398,0.8785359982180796
EOS-2-01258,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)cc(F)c5)n34)c2)s1,RONCXLOFILRGNU-UHFFFAOYSA-N,2,1,0.5,84,752,450.474,4.518,5,0.379,0.72,1.0,0.6101535192927147,0.5239702556370365,0.6838290727160579,0.6552326776780207,0.6182963813309574
EOS-2-01259,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncc(C)c5F)n34)ccc2F)cs1,FREBMGKSTJKITQ-UHFFFAOYSA-N,2,1,0.537,16,214,450.474,4.784,5,0.383,0.73,1.0,0.729859159756014,0.7154667260640121,0.7763604276608869,0.709846823384278,0.7328832842162978
EOS-2-01260,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)cs1,JBFJUBHLFQAKNW-UHFFFAOYSA-N,2,1,0.747,84,360,450.474,4.518,5,0.379,0.76,1.0,0.9151189089164553,0.8953293125899527,0.7000376944691933,0.6580597628675211,0.7921364197107805
EOS-2-01261,CC(F)(F)c1cncc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)n1,ZBTGUXKGNBQFJO-UHFFFAOYSA-N,2,1,0.506,27,343,450.474,5.001,5,0.362,0.63,1.0,0.6355544513741347,0.6863991501610582,0.8710763484339662,0.7572390514700843,0.7375672503598109
EOS-2-01262,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)ccn2)s1,VSYOCECGILIPOB-UHFFFAOYSA-N,2,1,0.581,84,672,450.474,4.518,5,0.379,0.72,1.0,0.7654118977451854,0.7476098279761497,0.694631964909876,0.6696336782948393,0.7193218422315126
EOS-2-01263,Cc1ncc(-c2nc(-c3nnc4cncc(OCCc5ccsc5)n34)ccc2F)cc1F,UCESQTUJIKXLQU-UHFFFAOYSA-N,2,1,0.43,18,773,450.474,4.518,5,0.379,0.69,1.0,0.7142759235144952,0.6375933794805017,0.6153793434308821,0.5992049893770133,0.641613408950723
EOS-2-01264,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccc2F)cs1,YYMPGACHLXZUCK-UHFFFAOYSA-N,2,1,0.551,11,490,450.474,4.518,5,0.379,0.67,1.0,0.8259629223493935,0.8535569871838805,0.6535792611884038,0.6410972517305188,0.7435491056130492
EOS-2-01265,COc1cc(-c2nnc3cncc(OCCc4cccs4)n23)ccc1-c1noc(=O)n1C,WBTOCWPPBZSXQU-UHFFFAOYSA-N,2,1,0.612,15,771,450.48,2.837,5,0.372,0.68,1.0,0.4514683709135769,0.2801641422794874,0.08793091631827839,0.05936878897950792,0.21973305462271267
EOS-2-01266,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5F)n34)cc2)n1,RCGDCROAIGOQAJ-UHFFFAOYSA-N,2,1,0.325,9,867,450.481,4.398,6,0.398,0.73,1.0,0.21044650812144472,0.3258172846275101,0.6647248303748886,0.6261479679254335,0.45678414776231924
EOS-2-01267,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)cc5)n34)cc2)[nH]c1F,VAOBBEUVAXQWEG-UHFFFAOYSA-N,2,1,0.301,9,98,450.481,4.696,6,0.421,0.67,1.0,0.154915701459804,0.24461140429031594,0.6535878281132205,0.5992135563018299,0.41308212254129256
EOS-2-01268,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cc2)n1C,JBCQLSNJHCYKIB-UHFFFAOYSA-N,2,1,0.35,3,150,450.481,4.492,6,0.395,0.79,1.0,0.053192036186690425,0.19949797820574328,0.662343225275855,0.6350918374340346,0.38753126927558085
EOS-2-01269,Cn1c(CF)nc(-c2ccccc2)c1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,FNAUEFMBNQNFIW-UHFFFAOYSA-N,2,1,0.274,30,195,450.481,4.514,6,0.386,0.62,0.993,0.007641696936467685,0.029495922143787268,0.21036083887327806,0.32205640463299295,0.1423887156466315
EOS-2-01270,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)c(F)c5)n34)cc2)cn1,JEIWQUANXLZNAP-UHFFFAOYSA-N,2,1,0.365,9,38,450.481,4.398,6,0.398,0.71,1.0,0.22962785278596395,0.3452470701117127,0.8083493249263245,0.7624220409841683,0.5364115722020424
EOS-2-01271,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccc(F)cc4)n23)cc1,ZBAIIXUDNZCJJX-UHFFFAOYSA-N,2,1,0.387,9,867,450.481,4.398,6,0.398,0.7,1.0,0.15218285244328697,0.29092419984922213,0.6183263655678157,0.6206308683434995,0.42051607155095605
EOS-2-01272,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)c(F)c1,KDQRUBFIVPSMDF-UHFFFAOYSA-N,2,1,0.333,9,867,450.481,4.398,6,0.398,0.66,1.0,0.24070488657391542,0.2545147693783839,0.6946405318346927,0.6468113905832362,0.4591678945925571
EOS-2-01273,Cc1c(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(-c2ccc(F)cc2)nn1C,ALKHRWXEFSYNAB-UHFFFAOYSA-N,2,1,0.327,3,668,450.481,4.492,6,0.395,0.78,1.0,0.001216503323966829,0.1689911589335892,0.41093824960592146,0.4893256116784319,0.26761788088547733
EOS-2-01274,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)cc4)n23)c(F)c1,JWXCCABADIWEJG-UHFFFAOYSA-N,2,1,0.329,9,867,450.481,4.398,6,0.398,0.75,1.0,0.3127527242820917,0.340132615996162,0.7025820711397437,0.6639195394421219,0.5048467377150299
EOS-2-01275,Cn1cc(-c2cncc3nnc(-c4ccc(-c5cncn5C)cc4)n23)c(-c2ccc(F)cc2)n1,WVKGFRKPLMMPBV-UHFFFAOYSA-N,2,1,0.39,9,98,450.481,4.398,6,0.398,0.73,1.0,0.16847714344458914,0.32120827907614286,0.6784833116304572,0.672503598108423,0.4601680830649031
EOS-2-01276,O=c1oc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)cn2)cs1,XAWGCSIXEDTUAF-UHFFFAOYSA-N,2,1,0.308,32,371,450.483,4.597,6,0.387,0.51,0.723,0.2296364197107806,0.1861849770406415,0.38956377218833527,0.427429579878007,0.3082036872044411
EOS-2-01277,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)nc2)c1,RPRQLQSSGCQKCQ-UHFFFAOYSA-N,2,1,0.346,69,30,449.514,6.388,6,0.313,0.82,1.0,0.1854396545815914,0.3258258515523268,0.9015746007813036,0.9270612021108903,0.584975327256528
EOS-2-01278,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)s5)n34)cc2)c1,NSSJKSVTTDRJNB-UHFFFAOYSA-N,2,1,0.405,93,651,449.514,6.388,6,0.313,0.76,1.0,0.25936364882461793,0.49696730861489957,0.8611387156466315,0.8911743540538688,0.6271610067850044
EOS-2-01279,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)s2)c1,DIHOECHONSNJIN-UHFFFAOYSA-N,2,1,0.39,30,93,449.514,6.388,6,0.313,0.68,1.0,0.18544822150640805,0.40711740113768763,0.8004848879446234,0.8588256459461312,0.5629690391337125
EOS-2-01280,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)n1,BUZSRKBQHPZPHG-UHFFFAOYSA-N,2,1,0.418,93,651,449.514,6.388,6,0.293,0.76,1.0,0.31773867452539234,0.45649715578096084,0.8392073881159618,0.8717702693441163,0.6213033719416079
EOS-2-01281,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)ccn1,RWJYBLYHGCIXHK-UHFFFAOYSA-N,2,1,0.389,93,651,449.514,6.388,6,0.293,0.76,1.0,0.31774724145020905,0.45204235487629363,0.8816822013570009,0.9017716400520869,0.6383108594338976
EOS-2-01282,Fc1ccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1,JBMOXFMEXQRPQB-UHFFFAOYSA-N,2,1,0.42,21,107,449.514,6.388,6,0.313,0.78,1.0,0.2833767390857378,0.542192104722089,0.8308803371941608,0.8830357754780344,0.6348712391200054
EOS-2-01283,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncs5)c4)n23)cc1,KPJFRBCVBXMBBA-UHFFFAOYSA-N,2,1,0.378,21,107,449.514,6.388,6,0.313,0.77,1.0,0.30223254060722365,0.4431841546158591,0.9134483585772051,0.9319700500308409,0.6477087759577822
EOS-2-01284,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)ccc1-c1ccccc1,SOUYUEGEEQWMIC-UHFFFAOYSA-N,2,1,0.378,21,958,449.514,6.388,6,0.313,0.79,1.0,0.3398156397779453,0.44779316016722637,0.9098331163045713,0.9270697690357069,0.6561279213213626
EOS-2-01285,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)cc2)cn1,OYQSNTFXFVMGOU-UHFFFAOYSA-N,2,1,0.347,69,958,449.514,6.388,6,0.293,0.75,1.0,0.2860067850044548,0.46096909053526147,0.9134569255020218,0.9219296141457063,0.6455906037968611
EOS-2-01286,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cc5)n34)cc2)nc1,QDHGEVOXJVDVIL-UHFFFAOYSA-N,2,1,0.382,69,898,449.514,6.388,6,0.313,0.75,1.0,0.35138098828044684,0.47404221780549655,0.8933589198821191,0.9065005825508875,0.6563206771297375
EOS-2-01287,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)nc1,YGQKISFDBFUYHI-UHFFFAOYSA-N,2,1,0.389,69,30,449.514,6.388,6,0.313,0.8,1.0,0.28338530601055445,0.44319272154067574,0.9059265985881708,0.9260503049825235,0.6396387327804811
EOS-2-01288,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)sc1-c1ccccc1,APODCAXBZAJJIP-UHFFFAOYSA-N,2,1,0.37,93,93,449.514,6.388,6,0.313,0.74,1.0,0.267176684257419,0.42103008703995615,0.8291155506819272,0.8604105270372148,0.5944332122541293
EOS-2-01289,Fc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccsc4-c4ccccc4)n23)cc1,JZELKCQNHYJAID-UHFFFAOYSA-N,2,1,0.394,69,695,449.514,6.388,6,0.313,0.76,1.0,0.320094578849976,0.39752244534301967,0.8392159550407786,0.8733037488862998,0.6075341820300185
EOS-2-01290,Fc1ccc(-c2nscc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,ZSYXATSZQXHTCV-UHFFFAOYSA-N,2,1,0.414,21,107,449.514,6.388,6,0.313,0.74,1.0,0.32511479679254335,0.46965595229936263,0.8683949009663491,0.9110667534781715,0.6435581008841066
EOS-2-01291,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cc1,HEVGIZQZTZKSMP-UHFFFAOYSA-N,2,1,0.394,21,695,449.514,6.388,6,0.313,0.82,1.0,0.28062675621958744,0.4825748749228977,0.8945925570557193,0.9110753204029881,0.6422173771502981
EOS-2-01292,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)cc4)n23)cc1,XUWBFJANQWQXSX-UHFFFAOYSA-N,2,1,0.394,21,695,449.514,6.388,6,0.313,0.82,1.0,0.2806353231444041,0.4785826879583305,0.8946011239805359,0.9110838873278048,0.6412257556027688
EOS-2-01293,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cccs5)cn4)n23)ccc1-c1ccccc1,FHKQDZYVLSGQHK-UHFFFAOYSA-N,2,1,0.368,93,479,449.514,6.388,6,0.313,0.8,1.0,0.34230861489959563,0.447801727092043,0.8789322184908506,0.9029453087519704,0.6429969673086149
EOS-2-01294,Fc1ccc(-c2cscc2-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,JPKPZGNQCLKMLF-UHFFFAOYSA-N,2,1,0.408,69,30,449.514,6.388,6,0.313,0.77,1.0,0.2833938729353711,0.4609776574600781,0.9155900897813721,0.9336063326708245,0.6483919882119115
EOS-2-01295,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)cn2)cc1,AUZDRBWGTXPQPG-UHFFFAOYSA-N,2,1,0.333,30,93,449.514,6.388,6,0.313,0.82,1.0,0.19367246933040916,0.37397196902199986,0.8469861558494962,0.8885785758344185,0.5758022925090809
EOS-2-01296,Fc1cc(-c2cscn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,PENJYXRKHAHADR-UHFFFAOYSA-N,2,1,0.38,21,107,449.514,6.388,6,0.313,0.83,1.0,0.3224590500993763,0.47859125488314713,0.9059351655129875,0.9229062435748064,0.6574729285175793
EOS-2-01297,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnsn6)cn5)n34)cc2)n1,YDDQIBMGDJPLNP-UHFFFAOYSA-N,2,1,0.315,38,167,450.491,3.532,6,0.397,0.59,1.0,0.04261188403810568,0.06841546158590912,0.1765471866218902,0.19410938249605922,0.12042097868549106
EOS-2-01298,Cc1ncnc(-c2ccccn2)c1-c1nnc2cncc(-c3cccc(-c4nncs4)n3)n12,AJMDJZGEEGOMKV-UHFFFAOYSA-N,2,1,0.275,76,368,450.491,3.532,6,0.397,0.63,1.0,0.03522719484613803,0.08264512370639435,0.04842882598862312,0.0672760605852923,0.05839430128161195
EOS-2-01299,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ncccn6)s5)n34)cn2)n1,FVSUVYWOLQUBNS-UHFFFAOYSA-N,2,1,0.277,86,790,450.491,3.532,6,0.397,0.51,1.0,0.07548317455966007,0.11148995956411487,0.06763587142759235,0.07480638749914331,0.08235384826262765
EOS-2-01300,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6cnccn6)n5)n34)cc2)cs1,ZVTKAMRQRDTHHK-UHFFFAOYSA-N,2,1,0.307,42,136,450.491,3.532,6,0.397,0.72,1.0,0.08631176752792817,0.12790418751285038,0.09976183949009663,0.10312864094304708,0.10427660886848057
EOS-2-01301,Cc1nc(-c2ccccn2)nc(-c2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)n1,BZRRFGAVKJDUSR-UHFFFAOYSA-N,2,1,0.319,38,193,450.491,3.532,6,0.397,0.63,1.0,0.11374306079089849,0.11442841477623192,0.05961722979919128,0.07079706668494277,0.08964644301281612
EOS-2-01302,c1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)nc2)cnn1,QZKXUNKGNNWNLT-UHFFFAOYSA-N,2,1,0.345,81,117,449.503,3.753,6,0.392,0.56,1.0,0.17664998971969023,0.15363066273730383,0.34837399766979643,0.3445017476526626,0.2557890994448633
EOS-2-01303,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccncc6)cn5)n34)cc2)s1,KDFLXPRZNQXHAT-UHFFFAOYSA-N,2,1,0.32,42,106,449.503,4.137,6,0.395,0.72,1.0,0.03971626345007196,0.10169796449866356,0.1996436159276266,0.2172914810499623,0.1395873312315811
EOS-2-01304,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)c2)s1,URIBJAOVKQGDIY-UHFFFAOYSA-N,2,1,0.293,9,424,449.503,4.137,6,0.395,0.68,1.0,0.07352134877664314,0.10835446508121445,0.2563652251387842,0.27934171749708725,0.17939568912343226
EOS-2-01305,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)nc5)n34)cc2)nc1,MKAWOPVZQWNUCO-UHFFFAOYSA-N,2,1,0.297,38,725,449.503,4.137,6,0.395,0.65,1.0,0.053200603111507094,0.10836303200603112,0.2786135288876705,0.27622335686382016,0.1791001302172572
EOS-2-01306,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)s2)nn1,QLRQZKGCRBCLEE-UHFFFAOYSA-N,2,1,0.319,76,392,449.503,4.137,6,0.395,0.72,1.0,0.08871907340141183,0.1457833596052361,0.22403365088067986,0.2406620519498321,0.17479953395929
EOS-2-01307,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncs6)cnn5)n34)cc2)cn1,AMHXPXPRIKYXOP-UHFFFAOYSA-N,2,1,0.293,42,725,449.503,4.137,6,0.395,0.6,1.0,0.04692104722088959,0.11736686998834898,0.34838256459461314,0.334821122609828,0.21187290110341991
EOS-2-01308,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cn2)nn1,YIUNDTQBYVOBLP-UHFFFAOYSA-N,2,1,0.289,38,270,449.503,4.137,6,0.395,0.67,1.0,0.03282845589747104,0.09216297717771228,0.31508292783222536,0.3128897950791584,0.18824103899664177
EOS-2-01309,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)s2)nn1,ZHQQBCUVGNOPNY-UHFFFAOYSA-N,2,1,0.329,38,608,449.503,4.137,6,0.395,0.67,1.0,0.15219141936810363,0.18619354396545815,0.15713453498732094,0.1722380234391063,0.16693938043999726
EOS-2-01310,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)nc5)n34)cc2)n1,HDBDTTCXPPZRSA-UHFFFAOYSA-N,2,1,0.298,38,339,449.503,4.137,6,0.395,0.63,1.0,0.033967856898087866,0.09217154410252895,0.3041515317661572,0.31289836200397503,0.18579732369268726
EOS-2-01311,Cc1nc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)n2)cs1,NGXQWUBVPDXJDU-UHFFFAOYSA-N,2,1,0.283,38,186,449.503,4.137,6,0.395,0.7,1.0,0.05494825577410733,0.1207679391405661,0.19619971215132617,0.2492546775409499,0.15529264615173738
EOS-2-01312,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cc2)s1,HHBUJBKCAAPMQB-UHFFFAOYSA-N,2,1,0.308,38,193,449.503,4.137,6,0.395,0.65,1.0,0.054956822698924,0.10837159893084779,0.22404221780549655,0.23194092248646425,0.15482789048043316
EOS-2-01313,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)cs1,PZQOEEQRYLZMJV-UHFFFAOYSA-N,2,1,0.3,94,167,449.503,4.137,6,0.395,0.71,1.0,0.09134055239531218,0.15363922966212049,0.3223819477760263,0.29712665341648964,0.21612209581248715
EOS-2-01314,Cc1ncncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)s1,ACTCOWOCLIACAU-UHFFFAOYSA-N,2,1,0.28,86,557,449.503,4.137,6,0.395,0.58,1.0,0.08632033445274484,0.11443698170104859,0.2136762387773285,0.2026848742375437,0.15427960729216642
EOS-2-01315,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cn2)n1,XXMGDBHFXJDEJX-UHFFFAOYSA-N,2,1,0.33,70,392,449.503,4.137,6,0.395,0.55,1.0,0.07549174148447674,0.12077650606538277,0.26735658967856896,0.2523644712494003,0.1789973271194572
EOS-2-01316,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cn2)n1,OPKCCFLWLSJMKY-UHFFFAOYSA-N,2,1,0.305,38,339,449.503,4.137,6,0.395,0.61,1.0,0.04407682818175588,0.0860633267082448,0.31126207936399153,0.3160852580357755,0.1893718730724419
EOS-2-01317,Cc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)s2)ccn1,QEKASRPOWSKZHO-UHFFFAOYSA-N,2,1,0.313,70,723,449.503,4.137,6,0.395,0.68,0.988,0.06034541840860805,0.11149852648893153,0.1862877801384415,0.2085103831128778,0.1416605270372147
EOS-2-01318,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)s1,BXWUQFDYJSGTCA-UHFFFAOYSA-N,2,1,0.293,38,170,449.503,4.137,6,0.395,0.68,1.0,0.04556747309985608,0.1115070934137482,0.2823744088821877,0.2822030703858543,0.18041301144541155
EOS-2-01319,c1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(-c6nncs6)cc5)n34)c2)cc1,BXKPFMWXHPQILT-UHFFFAOYSA-N,2,1,0.424,12,285,449.499,5.164,6,0.359,0.73,1.0,0.42839764238229044,0.3212168460009595,0.5141439928723186,0.5387824686450552,0.4506352374751559
EOS-2-01320,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)s5)n34)cn2)nc1,UZWHIFSAGVYSIA-UHFFFAOYSA-N,2,1,0.292,76,368,449.499,4.744,6,0.414,0.62,1.0,0.12164176547186623,0.18183297923377426,0.43316085258035775,0.42743814680282366,0.29101843602220545
EOS-2-01321,c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccs6)nn5)n34)cc2)cc1,AUPYDUXGWLPGBS-UHFFFAOYSA-N,2,1,0.42,12,285,449.499,5.164,6,0.359,0.73,1.0,0.50017990542115,0.5330254951682544,0.4331694195051744,0.4556404632992941,0.48050382084846827
EOS-2-01322,c1ccc(-c2ncncc2-c2nnc3cncc(Oc4ccc(-c5ccsc5)cn4)n23)cc1,XQDAGAQTXVNRCX-UHFFFAOYSA-N,2,1,0.368,41,515,449.499,5.164,6,0.359,0.73,1.0,0.43251833321910765,0.3008618326365568,0.4963847577273662,0.5022274004523336,0.4329980810088411
EOS-2-01323,c1cnnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccsc6)cn5)n34)cc2)c1,PCIIPMMUGGMZHW-UHFFFAOYSA-N,2,1,0.429,41,25,449.499,5.164,6,0.359,0.75,1.0,0.5357583441847714,0.44320128846549245,0.612235282023165,0.5747721197998766,0.5414917586183263
EOS-2-01324,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(C)ns4)n23)cc1OC,ZRPHSGQWBISGCO-UHFFFAOYSA-N,2,1,0.424,36,375,449.5,2.817,5,0.369,0.64,1.0,0.1330614762524844,0.11737543691316565,0.019789596326502637,0.009003837982317867,0.06980758686861764
EOS-2-01325,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cc2)c1,GVHYMCWBGDHNTF-UHFFFAOYSA-N,2,1,0.405,69,987,450.502,5.783,6,0.34,0.76,1.0,0.26718525118223563,0.4696645192241793,0.8454783770817628,0.8685062709889658,0.6127086046192859
EOS-2-01326,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)ccc1-c1cncs1,CYJHJLAEPKMWES-UHFFFAOYSA-N,2,1,0.368,69,484,450.502,5.783,6,0.34,0.73,1.0,0.28601535192927147,0.4210386539647728,0.8454869440065794,0.8588342128709479,0.6028437906928928
EOS-2-01327,Fc1snnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,GMAKGNJJEIISLJ-UHFFFAOYSA-N,2,1,0.409,21,538,450.502,5.783,6,0.34,0.74,1.0,0.1936810362552258,0.31621376190802547,0.7576159961620177,0.8172589267356589,0.521192430265232
EOS-2-01328,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cc1,FCPDEQMOACXCCW-UHFFFAOYSA-N,2,1,0.394,21,538,450.502,5.783,6,0.34,0.79,1.0,0.1437872661229525,0.3595624014803646,0.8639829346857651,0.8939757384689192,0.5653270851895004
EOS-2-01329,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)nn1,QEGVDFIOSNCVSN-UHFFFAOYSA-N,2,1,0.412,93,651,450.502,5.783,6,0.34,0.71,1.0,0.315297100952642,0.43896922760605855,0.7412703036118155,0.7957131108217395,0.5728124357480638
EOS-2-01330,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)ccc1-c1cccs1,YTFXXNCVEPNYLE-UHFFFAOYSA-N,2,1,0.367,32,20,450.502,5.783,6,0.34,0.74,1.0,0.29711808649167293,0.45650572270577755,0.832576588307861,0.85031868960318,0.6091297717771229
EOS-2-01331,Fc1ccc(-c2cccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cc5)n34)c2)nc1,PRZYORRCJHYVIN-UHFFFAOYSA-N,2,1,0.355,69,695,450.502,5.783,6,0.34,0.84,1.0,0.23795490370776506,0.3452556370365294,0.7958587485436228,0.8131125351243917,0.5480454561030772
EOS-2-01332,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)sc1-c1ccccn1,JMPIMRRFRXAGFY-UHFFFAOYSA-N,2,1,0.342,32,126,450.502,5.783,6,0.34,0.73,1.0,0.2488091974504832,0.429956822698924,0.7051178808854773,0.7418871221986156,0.531442755808375
EOS-2-01333,Fc1ccnc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cs2)c1,NELNFNPASSGHLB-UHFFFAOYSA-N,2,1,0.391,93,651,450.502,5.783,6,0.34,0.75,1.0,0.1936896031800425,0.41660955383455556,0.70004626139401,0.777054348571037,0.5218499417449113
EOS-2-01334,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)nc5)n34)cc2)cn1,HGZKINARNVXKAX-UHFFFAOYSA-N,2,1,0.361,69,57,450.502,5.783,6,0.318,0.82,1.0,0.2916780892330889,0.4119662805839216,0.8611472825714481,0.8637259269412652,0.607129394832431
EOS-2-01335,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)cc1,DAXAUNZMLFSPKQ-UHFFFAOYSA-N,2,1,0.365,32,20,450.502,5.783,6,0.34,0.72,1.0,0.2593722157494346,0.41197484750873825,0.7763689945857035,0.82504626139401,0.5681905798094716
EOS-2-01336,Fc1cc(-c2ccccc2)cc(-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c1,NDBUXGWLLQLGOE-UHFFFAOYSA-N,2,1,0.364,93,93,450.502,5.783,6,0.34,0.69,1.0,0.2407134534987321,0.3739805359468165,0.8105424576793914,0.8451014323898294,0.5675844698786924
EOS-2-01337,Fc1cc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)ccc1-c1ccccn1,FMRFQQCENZHWEC-UHFFFAOYSA-N,2,1,0.365,69,484,450.502,5.783,6,0.34,0.83,1.0,0.2700551709958193,0.4119834144335549,0.8061818929477075,0.8172674936604757,0.5763719930093893
EOS-2-01338,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3csc(-c4ccccn4)n3)n12,WDFBFQIWVWWLGQ-UHFFFAOYSA-N,2,1,0.384,93,93,450.502,5.783,6,0.34,0.73,1.0,0.20199952025221027,0.4520509218011103,0.6759218011102734,0.7520646288808169,0.5205092180111027
EOS-2-01339,Fc1cc(-c2cnsc2)ccc1-c1cncc2nnc(-c3cccnc3-c3ccccc3)n12,XXFOUVAKZPTQMM-UHFFFAOYSA-N,2,1,0.333,69,30,450.502,5.783,6,0.34,0.67,0.995,0.2460335138098828,0.35957096840518127,0.7958673154684395,0.8411777808237955,0.5606623946268248
EOS-2-01340,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)nc1,NQXVBVDOCOVWOL-UHFFFAOYSA-N,2,1,0.384,69,479,450.502,5.783,6,0.34,0.8,1.0,0.22691213761908025,0.3975310122678363,0.8022839421561236,0.8270766225755602,0.5634509286546501
EOS-2-01341,Fc1ccc(-c2cccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)c2)cc1,HEMKSYFBWICHSA-UHFFFAOYSA-N,2,1,0.373,93,479,450.502,5.783,6,0.34,0.79,1.0,0.24881776437529984,0.4389777945308752,0.8342214378726612,0.862158179699815,0.5960437941196628
EOS-2-01342,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4ncccn4)s3)n12,MRUMQAVDBMAQII-UHFFFAOYSA-N,2,1,0.368,93,651,450.502,5.783,6,0.34,0.74,0.998,0.27504112123912,0.487389486669865,0.7101123980535947,0.7723168391474197,0.5612149612774998
EOS-2-01343,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc(-c4nccs4)cc3)n12,HCSOGONDEGBRDS-UHFFFAOYSA-N,2,1,0.391,69,695,450.502,5.783,6,0.34,0.87,1.0,0.2211808649167295,0.42104722088958946,0.7935199780686725,0.8108251661983414,0.5616433075183331
EOS-2-01344,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)s2)nc1,DIKBQFHIWWXQIX-UHFFFAOYSA-N,2,1,0.329,30,126,450.502,5.783,6,0.34,0.7,1.0,0.2186193543965458,0.34995031183606334,0.7153039544924954,0.7770629154958536,0.5152341340552395
EOS-2-01345,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)s1,AWYDCKKJNHLYIR-UHFFFAOYSA-N,2,1,0.394,93,107,450.502,5.783,6,0.34,0.74,1.0,0.23225789870468097,0.46967308614899594,0.6508806798711535,0.7746898773216366,0.5318753855116167
EOS-2-01346,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)s2)c1,RJGUVUZSGYLYOU-UHFFFAOYSA-N,2,1,0.296,30,737,450.502,5.783,6,0.34,0.73,1.0,0.22406791857994654,0.33517236652731136,0.7599890343362347,0.8131211020492084,0.5330876053731752
EOS-2-01347,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)cn2)cn1,AOENMGLIXYINBI-UHFFFAOYSA-N,2,1,0.316,30,93,450.502,5.783,6,0.318,0.81,1.0,0.18545678843122473,0.33033205400589405,0.7599976012610513,0.7979233774244398,0.5184274552806525
EOS-2-01348,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)cc2)n1,AXSGMTBRDUVVAM-UHFFFAOYSA-N,2,1,0.391,69,30,450.502,5.783,6,0.34,0.72,1.0,0.2620622301418683,0.402465560962237,0.8423428825988624,0.8570094578849976,0.5909700328969913
EOS-2-01349,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)nn2)c1,MMUNOVRDTWOJOU-UHFFFAOYSA-N,2,1,0.351,30,93,450.502,5.783,6,0.34,0.81,1.0,0.13027722568706737,0.31103933931875816,0.6974419162497429,0.7909241998492221,0.4824206702761976
EOS-2-01350,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)nn5)n34)cc2)c1,HWVYVLDYBLNJRB-UHFFFAOYSA-N,2,1,0.405,93,74,450.502,5.783,6,0.34,0.8,1.0,0.2515334795421835,0.4918014529504489,0.7787420327599205,0.8371855938592283,0.5898156397779453
EOS-2-01351,Fc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)cc1,POCMUTHBMYLXQA-UHFFFAOYSA-N,2,1,0.37,69,958,450.502,5.783,6,0.34,0.7,1.0,0.2889109725173052,0.4432098553903091,0.8342300047974779,0.8485624700157631,0.6037283256802138
EOS-2-01352,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)cc1,PFDYUUCYWNICHV-UHFFFAOYSA-N,2,1,0.414,93,107,450.502,5.783,6,0.34,0.73,1.0,0.22692070454389693,0.49181001987526557,0.6838376396408745,0.7957216777465561,0.5495725104516482
EOS-2-01353,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)s2)nc1,AAOKSNTXOGECLM-UHFFFAOYSA-N,2,1,0.347,32,126,450.502,5.783,6,0.34,0.67,1.0,0.23226646562949763,0.42105578781440617,0.7208296209992461,0.7700294702213694,0.5360453361661298
EOS-2-01354,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)cn2)cc1,SGTLMVYJYNASKS-UHFFFAOYSA-N,2,1,0.375,32,20,450.502,5.783,6,0.34,0.77,1.0,0.23796347063258172,0.44781029401685973,0.7982232197930231,0.8311801795627441,0.5787942910013022
EOS-2-01355,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4)n23)cnc1-c1ccccc1,LWOXEQAFFHWNFY-UHFFFAOYSA-N,2,1,0.342,69,695,450.502,5.783,6,0.34,0.71,1.0,0.22118943184154616,0.3595795353299979,0.7763775615105202,0.8172760605852923,0.5436056473168391
EOS-2-01356,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)s1,UUKBYSUYHQZEAA-UHFFFAOYSA-N,2,1,0.351,69,479,450.502,5.783,6,0.34,0.72,1.0,0.2488263313001165,0.4119919813583716,0.7894849564800219,0.80005654170379,0.562589952710575
EOS-2-01357,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)c1,YKMCOTLLZPRNHE-UHFFFAOYSA-N,2,1,0.405,93,479,450.502,5.783,6,0.34,0.75,1.0,0.22407648550476322,0.434702899047358,0.8359005551367281,0.8621667466246317,0.5892116715783703
EOS-2-01358,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)cc2)c1,VDVSHLAFGLVGEO-UHFFFAOYSA-N,2,1,0.405,69,30,450.502,5.783,6,0.34,0.76,1.0,0.2515420464670002,0.42545062024535674,0.8454955109313961,0.8702881913508327,0.5981940922486464
EOS-2-01359,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)c1,MBQUYVJDSNDZSO-UHFFFAOYSA-N,2,1,0.411,93,107,450.502,5.783,6,0.34,0.75,1.0,0.1911366595846755,0.4565142896305942,0.667474813241039,0.7841220615447879,0.5248119560002742
EOS-2-01360,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cc1,VUGJGPXACFLMTF-UHFFFAOYSA-N,2,1,0.425,21,810,450.505,6.059,6,0.326,0.8,1.0,0.2515506133918169,0.35958810225481463,0.9222037557398396,0.9312161606469742,0.6161396580083613
EOS-2-01361,N#Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cc2)c1,HDWKHCYXUYQYPG-UHFFFAOYSA-N,2,1,0.312,21,810,450.505,6.059,6,0.326,0.84,1.0,0.15219998629292028,0.21373620725104517,0.9107412103351381,0.9291172640668905,0.5514486669864985
EOS-2-01362,CCn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccn(C)n6)cc5)n34)nn2C)cn1,IMWSMSNBGKZRFH-UHFFFAOYSA-N,2,1,0.303,98,63,450.51,3.476,6,0.399,0.57,1.0,0.058512096497841136,0.04216640394763896,0.20318175587691042,0.1509749160441368,0.11370879309163184
EOS-2-01363,Cc1ccc(-c2sc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2C)cn1,GJIUCOWIGIXGEH-UHFFFAOYSA-N,2,1,0.58,44,294,449.486,5.389,5,0.36,0.79,1.0,0.7236481392639298,0.6092968268110479,0.846994722774313,0.7979319443492564,0.7444679082996367
EOS-2-01364,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(C(F)F)cc5)n34)c2)s1,PFRGLAKSZCVNQE-UHFFFAOYSA-N,2,1,0.549,1,138,449.486,5.74,5,0.331,0.82,1.0,0.7356332670824481,0.6376019464053183,0.9222123226646562,0.8746316222328833,0.7925197895963265
EOS-2-01365,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(C)nn6C)cn5)n34)cc2)n1,NNPQFMUBKUWXOK-UHFFFAOYSA-N,2,1,0.291,98,882,449.482,3.051,6,0.435,0.55,0.998,0.10351415255979714,0.08265369063121102,0.07415530121307655,0.05792097868549106,0.07956103077239395
EOS-2-01366,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cc5)n34)cc2)n(C)n1,OZNMHOKRMSCSOZ-UHFFFAOYSA-N,2,1,0.329,25,508,449.482,2.753,6,0.403,0.66,1.0,0.11918305804948255,0.06068809540127476,0.06764443835240902,0.06389212528270852,0.07785192927146872
EOS-2-01367,CCn1c(-c2nccn2C)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,CTFPOXJHIDPJOY-UHFFFAOYSA-N,2,1,0.28,99,754,449.482,2.927,6,0.394,0.63,1.0,0.05003940785415667,0.026814474676170243,0.01372421355630183,0.018787266122952506,0.02734134055239531
EOS-2-01368,Cc1cn(C)c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)cc2)n1,CVNAVWUCTPOVAI-UHFFFAOYSA-N,2,1,0.289,98,882,449.482,2.753,6,0.403,0.63,1.0,0.10844013432938113,0.06069666232609142,0.0784558974710438,0.06728462751010897,0.07871933040915632
EOS-2-01369,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)n(C)n1,QVIGHVDZICKHJV-UHFFFAOYSA-N,2,1,0.303,98,890,449.482,2.753,6,0.403,0.58,1.0,0.07740216571859365,0.049294085395106574,0.06171612637927489,0.05632753066959084,0.06118497704064149
EOS-2-01370,Cc1c(-c2nnc3cncc(-c4cccc(-c5nnn(C)n5)n4)n23)c(-c2ccccc2)nn1C,QMDGNWRLUQCWDB-UHFFFAOYSA-N,2,1,0.301,98,746,449.482,2.753,6,0.403,0.66,1.0,0.025520869028853404,0.032477211979987666,0.017193818107052294,0.020928997327119458,0.024030224110753208
EOS-2-01371,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)cn2)n(C)n1,IKPAFHGMHWXQHL-UHFFFAOYSA-N,2,1,0.294,86,812,449.482,2.753,6,0.403,0.59,0.999,0.1084487012541978,0.03544136796655473,0.046818244123089575,0.037994311561921734,0.05717565622644096
EOS-2-01372,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(C)[nH]n6)cc5)n34)nn2)n(C)n1,DNIAHHRADANQDF-UHFFFAOYSA-N,2,1,0.288,98,63,449.482,3.051,6,0.435,0.54,0.948,0.11083887327804812,0.08607189363306147,0.06362655061339181,0.06091940237132479,0.08036417997395653
EOS-2-01373,CCn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)n5)n34)cn2)cn1,LGURNGXDGKNADA-UHFFFAOYSA-N,2,1,0.265,99,259,449.482,2.927,6,0.394,0.68,1.0,0.058520663422657805,0.029504489068603933,0.07197930230964293,0.06555410869714208,0.05638964087451169
EOS-2-01374,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nncn6C)cc5)n34)cc2)cn1,VZGIINTVCBSBPL-UHFFFAOYSA-N,2,1,0.532,67,722,449.478,3.78,6,0.395,0.7,1.0,0.30733842779795767,0.24461997121513263,0.4331779864299911,0.3639486669864985,0.33727126310739497
EOS-2-01375,Cn1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)c2)n1,OAWYLCGOHLEWCM-UHFFFAOYSA-N,2,1,0.484,81,932,449.478,3.352,6,0.384,0.67,1.0,0.22692927146871358,0.20887019395517786,0.3708279076142828,0.2880028784867384,0.27365756288122817
EOS-2-01376,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)nc4)n23)cc1,GJFJCECBMWANIQ-UHFFFAOYSA-N,2,1,0.536,67,755,449.478,3.352,6,0.384,0.63,1.0,0.462785278596395,0.22922520731958057,0.33697998766362824,0.28221163731067095,0.3278005277225687
EOS-2-01377,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)n1,BABQTFFFPCXDBP-UHFFFAOYSA-N,2,1,0.35,40,763,449.478,4.078,6,0.422,0.64,1.0,0.4234973613871565,0.3110479062435748,0.3405866630114454,0.2584127201699678,0.3333861627030361
EOS-2-01378,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cc2)cn1,OHLQSYPSHSPLRO-UHFFFAOYSA-N,2,1,0.519,67,722,449.478,3.78,6,0.395,0.73,1.0,0.29168665615790557,0.21374477417586182,0.43318655335480777,0.3639572339113152,0.32564380439997254
EOS-2-01379,Cn1nccc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,JRIULCFTOQDZHE-UHFFFAOYSA-N,2,1,0.506,77,611,449.478,3.556,6,0.414,0.62,1.0,0.5307209923925708,0.2909327667740388,0.4724487697895963,0.3860684668631348,0.4200427489548352
EOS-2-01380,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(C)n(C)n6)nn5)n34)cc2)o1,YYLPTEOOHYRRMO-UHFFFAOYSA-N,2,1,0.297,98,63,449.478,3.921,6,0.398,0.65,1.0,0.1330700431773011,0.11151566033856487,0.21368480570214515,0.16163217051607154,0.15497566993352066
EOS-2-01381,CCn1nc(-c2noc(C)n2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,AHTBYIWWMXMQLN-UHFFFAOYSA-N,2,1,0.26,30,301,449.478,4.095,6,0.387,0.75,0.997,0.026831608525803578,0.029513055993420603,0.06363511753820848,0.09487012541977932,0.053712476869303
EOS-2-01382,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cn5)n34)cc2)n1,XROAQQFJHFJANL-UHFFFAOYSA-N,2,1,0.367,40,318,449.478,3.78,6,0.395,0.69,1.0,0.36990267973408264,0.24959735453361662,0.3520920430402303,0.25237303817421697,0.3059912788705367
EOS-2-01383,Cc1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)n1,XUXMDVQDRQVPAU-UHFFFAOYSA-N,2,1,0.483,77,611,449.478,3.65,6,0.413,0.69,1.0,0.4396117469673086,0.26467514221095195,0.4331951202796244,0.34121204852306214,0.3696735144952368
EOS-2-01384,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cn5)n34)cc2)n[nH]1,DXDCONUOQCKATA-UHFFFAOYSA-N,2,1,0.353,40,318,449.478,4.078,6,0.422,0.67,1.0,0.4166009869097389,0.31105647316839147,0.37471729148105,0.2762319237886368,0.3446516688369543
EOS-2-01385,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(OCc3ccc(-n4ccnc4)nc3)n12,NUVQKXHLWYKLIB-UHFFFAOYSA-N,2,1,0.432,6,247,449.478,3.352,6,0.384,0.57,0.999,0.2131108217394284,0.09546981015694607,0.23505071619491466,0.21730004797477898,0.19023284901651702
EOS-2-01386,Cc1nccn1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnn(C)n5)cc4)n23)c(O)c1,WUMNUUOMYONOES-UHFFFAOYSA-N,2,1,0.296,9,725,449.478,3.454,6,0.439,0.61,1.0,0.07741073264341032,0.018436022205469124,0.4006579398259201,0.30994277294222466,0.20161186690425603
EOS-2-01387,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cc5)n34)c2)cn1,LARHPQJLNKCNJO-UHFFFAOYSA-N,2,1,0.483,77,247,449.478,3.352,6,0.384,0.79,1.0,0.3022411075320403,0.2137533411006785,0.5209546981015695,0.43047940511274074,0.36685713796175723
EOS-2-01388,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)cc1,ABHOXMHAZLFYCK-UHFFFAOYSA-N,2,1,0.512,67,933,449.478,3.352,6,0.384,0.71,1.0,0.5101175382084847,0.2545233363032006,0.4443064217668426,0.3737149612774998,0.3956655643890069
EOS-2-01389,CCc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(C)[nH]n6)cc5)n34)nc2)no1,GRZAQBCTNNKKKA-UHFFFAOYSA-N,2,1,0.289,38,193,449.478,4.164,6,0.416,0.65,1.0,0.20200808717702692,0.20887876087999452,0.15399047357960385,0.14345315605510245,0.17708261942293194
EOS-2-01390,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)cc5C)n34)cc2)o1,ZHDAELASXAIIFU-UHFFFAOYSA-N,2,1,0.3,9,598,449.478,3.921,6,0.398,0.65,1.0,0.0887276403262285,0.08266225755602769,0.2895363580289219,0.24067061887464875,0.1753992186964567
EOS-2-01391,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(-n5nccn5)cc4)n23)c1,MAXPEENPWUFLDI-UHFFFAOYSA-N,2,1,0.478,77,247,449.478,3.352,6,0.384,0.65,1.0,0.37684188883558356,0.17347166061270647,0.4405969433212254,0.36059043245836475,0.33787523130697006
EOS-2-01392,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)cc2)n1,NIDUKDFRCDLOJV-UHFFFAOYSA-N,2,1,0.706,77,104,449.478,3.352,6,0.384,0.71,1.0,0.1966194914673429,0.194888972654376,0.27862209581248715,0.2555770680556507,0.23142690699746418
EOS-2-01393,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cn5)n34)c2)cn1,WYIJHZVIQSNOQQ-UHFFFAOYSA-N,2,1,0.384,6,348,449.478,3.556,6,0.414,0.64,1.0,0.42350592831197315,0.23950551709958193,0.4864471249400315,0.404632992940854,0.3885228908231101
EOS-2-01394,CCc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)cn2)nc1,KZCALXDLKYOBKH-UHFFFAOYSA-N,2,1,0.316,42,303,449.478,3.96,6,0.389,0.78,1.0,0.019292714687135906,0.09218011102734562,0.21701733945582893,0.1640137756151052,0.12312598519635393
EOS-2-01395,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnn(C)n6)ccc5C)n34)cc2)o1,QIUUQANINBTILM-UHFFFAOYSA-N,2,1,0.309,25,303,449.478,3.921,6,0.398,0.65,1.0,0.17963984648070727,0.11152422726338154,0.27493831814131997,0.2291652388458639,0.19881690768281818
EOS-2-01396,Cc1ccc(-c2nnc3cncc(-c4cc(-c5nnc(C)n5C)on4)n23)c(-c2ccccc2)n1,UPOWETKYGMOBCL-UHFFFAOYSA-N,2,1,0.298,30,945,449.478,3.921,6,0.398,0.64,0.946,0.08393872935371119,0.06070522925090809,0.06364368446302515,0.08020355013364402,0.07212279830032212
EOS-2-01397,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5)nn4)n23)cc1,AKMQXANJXKVANV-UHFFFAOYSA-N,2,1,0.706,81,104,449.478,3.352,6,0.384,0.74,1.0,0.18255260091837433,0.14968987732163663,0.315091494757042,0.28801144541155504,0.23383635460215202
EOS-2-01398,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cc2)nn1,ZERPSVCRGDLUJC-UHFFFAOYSA-N,2,1,0.511,40,932,449.478,3.352,6,0.384,0.63,1.0,0.29712665341648964,0.2395140840243986,0.3858885614419848,0.3220649715578096,0.3111485676101707
EOS-2-01399,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)n1,HLXURQUBTHELOC-UHFFFAOYSA-N,2,1,0.537,77,603,449.478,3.352,6,0.384,0.71,1.0,0.4974299225549997,0.30087039956137346,0.3595024330066479,0.32825029127544375,0.3715132615996162
EOS-2-01400,COc1ccc(-c2cn(C)nn2)cc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,KTNYSRPLMNBMAC-UHFFFAOYSA-N,2,1,0.333,9,764,449.478,3.653,6,0.427,0.62,1.0,0.09838256459461311,0.08608046055787814,0.46914193681036254,0.38003735179220066,0.2584105784387636
EOS-2-01401,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)n1C,TZUQDLYLCLXBPN-UHFFFAOYSA-N,2,1,0.35,40,763,449.478,4.078,6,0.422,0.66,1.0,0.41889692276060586,0.3303406209307107,0.39699129600438626,0.29105270372147213,0.3593203858542937
EOS-2-01402,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)n[nH]1,NSTSRRIJZFMTKW-UHFFFAOYSA-N,2,1,0.484,40,932,449.478,3.65,6,0.413,0.58,1.0,0.327676307312727,0.24960592145843327,0.4042474813241039,0.3189209101500925,0.3251126550613392
EOS-2-01403,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)n1,XVQOINHFDIMQIU-UHFFFAOYSA-N,2,1,0.398,40,763,449.478,4.078,6,0.422,0.61,1.0,0.4536957713659105,0.33034918785552736,0.3188438078267425,0.25558563498046744,0.3396186005071619
EOS-2-01404,COc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6n[nH]c(C)n6)cc5)n34)cn2)cc1,PXTWORJRJXFTPQ-UHFFFAOYSA-N,2,1,0.386,9,150,449.478,3.746,6,0.427,0.73,1.0,0.04262045096292235,0.0792012199300939,0.4042560482489206,0.30342334315674047,0.20737526557466932
EOS-2-01405,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)cc1,QYGOAXQEHFUSIX-UHFFFAOYSA-N,2,1,0.535,67,932,449.478,3.352,6,0.384,0.65,1.0,0.39903022411075323,0.24462853813994928,0.34433040915632923,0.2940339935576725,0.32050579124117606
EOS-2-01406,Cn1nc(-c2ccnn2C)cc1Oc1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,IIPVJZAIPYQQNU-UHFFFAOYSA-N,2,1,0.347,30,622,449.478,3.78,6,0.395,0.7,1.0,0.2379720375573984,0.1611438558015215,0.2456908368172161,0.22287711603042973,0.21692096155164142
EOS-2-01407,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)nc2)n(C)n1,XCNGFOXIGNBDHZ-UHFFFAOYSA-N,2,1,0.307,38,303,449.478,3.921,6,0.398,0.67,1.0,0.15220855321773696,0.10488486053046399,0.1636967993968885,0.12982317867178397,0.13765334795421835
EOS-2-01408,Cn1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)c(-c2ccccc2)n1,HBBKHZLCNBVCQL-UHFFFAOYSA-N,2,1,0.464,40,932,449.478,3.352,6,0.384,0.67,1.0,0.1035227194846138,0.07572304845452676,0.29311733260228906,0.25842128709478446,0.18269609690905353
EOS-2-01409,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nn(C)cc6C)n5)n34)cc2)o1,ZWAPBGOWOFEGOI-UHFFFAOYSA-N,2,1,0.298,38,303,449.478,3.921,6,0.398,0.6,1.0,0.09607806181892947,0.09547837708176272,0.20319032280172708,0.15890788842437117,0.13841366253169762
EOS-2-01410,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cc(-c5ccccc5)nn4C)n23)cc1,MGKHRJJFPKYCSQ-UHFFFAOYSA-N,2,1,0.417,67,755,449.478,3.78,6,0.395,0.74,1.0,0.4053097800013707,0.27514392433692003,0.2602032074566514,0.23194948941128093,0.2931516003015558
EOS-2-01411,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1,CNHTWHMKDMMGPH-UHFFFAOYSA-N,2,1,0.556,77,603,449.478,3.352,6,0.384,0.73,1.0,0.4396203138921253,0.3110650400932081,0.3595109999314646,0.34765437598519633,0.3644626824754986
EOS-2-01412,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)cn1,VRJHZNYMBCGHIZ-UHFFFAOYSA-N,2,1,0.489,40,763,449.478,3.556,6,0.414,0.68,1.0,0.4189054896854225,0.3008789664861901,0.5035038722500171,0.3987560825166198,0.4055111027345624
EOS-2-01413,Cn1cc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n(C)n2)cn1,QPXTZKZYOZGBHH-UHFFFAOYSA-N,2,1,0.386,67,622,449.478,3.78,6,0.395,0.72,1.0,0.2431892947707491,0.165050373517922,0.31510006168185867,0.26153964772805155,0.24621984442464534
EOS-2-01414,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)cc1,VUXAATRVXQZVBE-UHFFFAOYSA-N,2,1,0.506,77,933,449.478,3.352,6,0.384,0.69,1.0,0.3814080597628675,0.20888732780481117,0.44060551024604205,0.3737235282023165,0.3511561065040093
EOS-2-01415,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)cc1,ZDNZWCOPHXDIGA-UHFFFAOYSA-N,2,1,0.536,40,2,449.478,3.352,6,0.384,0.67,1.0,0.4305393735864574,0.20405558220821055,0.34059522993626207,0.2584298540196011,0.30840500993763276
EOS-2-01416,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)cc2)cn1,SQSSSXMJFVKECB-UHFFFAOYSA-N,2,1,0.404,6,933,449.478,3.65,6,0.413,0.59,1.0,0.4053183469261874,0.26992666712356933,0.4653810568158454,0.3571722294565143,0.3744495750805291
EOS-2-01417,Cn1sc(=N)nc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccn1,NSHDYJPJDSUBGX-UHFFFAOYSA-N,2,1,0.545,75,359,449.475,2.283,5,0.422,0.59,1.0,0.3745459529847166,0.22923377424439723,0.10225481461174697,0.09893941470769653,0.20124348913713935
EOS-2-01418,COc1cccc(-c2nn(C)cc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1,WPWFKTJIAFBGAA-UHFFFAOYSA-N,2,1,0.341,69,38,449.474,4.522,6,0.382,0.75,1.0,0.14083167706120212,0.09218867795216229,0.5514615173737235,0.4742735247755466,0.3146888492906586
EOS-2-01419,COc1c[nH]nc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(C)n5)o4)n23)cc1,RVRNPDFCVNMIHT-UHFFFAOYSA-N,2,1,0.337,38,126,449.474,4.82,6,0.402,0.6,1.0,0.25155918031663355,0.14579192653005277,0.5178620382427523,0.40178877390172024,0.3292504797477897
EOS-2-01420,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)nc3)n12,LTCKPULGAPKBLR-UHFFFAOYSA-N,2,1,0.341,32,191,449.474,4.522,6,0.382,0.73,1.0,0.2860239188540881,0.04930265231992324,0.5141525597971353,0.4017973408265369,0.3128191179494209
EOS-2-01421,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cc5)n34)cc2)o1,JQDTVTPWSHUWEZ-UHFFFAOYSA-N,2,1,0.517,77,933,449.474,4.519,6,0.369,0.7,1.0,0.5384312247275718,0.3546878212596806,0.6594990062367213,0.532622849701871,0.5213102254814612
EOS-2-01422,Cn1nc(-c2cnoc2)cc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,TZTZOMFSOPMBLC-UHFFFAOYSA-N,2,1,0.488,12,285,449.474,4.426,6,0.371,0.65,1.0,0.45147693783839354,0.32122541292577617,0.5071790829963676,0.4834230004797478,0.44082610856007126
EOS-2-01423,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)cc5)n34)c2)cn1,CXXNLMPDDHOICE-UHFFFAOYSA-N,2,1,0.512,77,190,449.474,4.426,6,0.371,0.79,1.0,0.5126704818038517,0.2545319032280173,0.670233363032006,0.5842728394215613,0.5054271468713591
EOS-2-01424,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)cc5)n34)cc2)n[nH]1,HIELUKRDUUBSBN-UHFFFAOYSA-N,2,1,0.5,77,427,449.474,4.724,6,0.392,0.64,1.0,0.6627458707422383,0.465209718319512,0.6480450277568364,0.5619217325748749,0.5844805873483654
EOS-2-01425,COc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccccc4C#N)cn3)n12,HXPKDJNGVVTOND-UHFFFAOYSA-N,2,1,0.468,11,198,449.474,3.75,5,0.369,0.77,0.973,0.5844099102186279,0.48739805359468164,0.5105116167500514,0.4304879720375574,0.5032018881502296
EOS-2-01426,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cc[nH]n6)c5)n34)cc2)o1,UXVBJEXLKFHULL-UHFFFAOYSA-N,2,1,0.489,77,190,449.474,4.724,6,0.392,0.65,1.0,0.6502724282091701,0.4969758755397163,0.6358799945171681,0.5357069426358714,0.5797088102254815
EOS-2-01427,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ncco4)cc3)n12,WCKUUGXBJAHDTK-UHFFFAOYSA-N,2,1,0.362,9,867,449.474,4.522,6,0.382,0.69,1.0,0.35372832568021384,0.07920978685491056,0.5447022136933726,0.4114950997190049,0.34728385648687543
EOS-2-01428,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cn2)cn1,RVXMFGHTFGHJMT-UHFFFAOYSA-N,2,1,0.534,40,2,449.474,4.519,6,0.369,0.67,1.0,0.41205194983208826,0.21376190802549516,0.5680385168939758,0.4620485230621616,0.4139752244534302
EOS-2-01429,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1,NJEVVFZWHLCDAO-UHFFFAOYSA-N,2,1,0.5,89,637,449.474,3.414,5,0.381,0.82,1.0,0.590235419093962,0.28017270920430404,0.648053594681653,0.5087639640874512,0.5068064217668425
EOS-2-01430,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccco6)n5)n34)cc2)cn1,REBBSZRYPOCTCU-UHFFFAOYSA-N,2,1,0.523,81,609,449.474,4.426,6,0.371,0.71,1.0,0.38605989993831813,0.269935234048386,0.548120416695223,0.45255637036529367,0.4141679802618052
EOS-2-01431,Cn1cnc(-c2ccncc2)c1COc1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,GOGLLIDPRXMOII-UHFFFAOYSA-N,2,1,0.472,40,120,449.474,4.426,6,0.371,0.63,1.0,0.43962888081694196,0.30088753341100677,0.46538962374066206,0.4211757247618395,0.4067704406826126
EOS-2-01432,Cn1nccc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccno5)cc4)n23)c1,GWBITNYDXAIFEW-UHFFFAOYSA-N,2,1,0.524,77,190,449.474,4.426,6,0.371,0.6,1.0,0.48753512439174834,0.25454047015283393,0.645295044890686,0.5555136728120074,0.4857210780618189
EOS-2-01433,COc1nc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)ccc1-c1ccccn1,DZOQFKXILSHUEG-UHFFFAOYSA-N,2,1,0.541,49,703,449.474,3.75,5,0.369,0.75,0.998,0.7417157837022822,0.5014306764443835,0.5243043657048866,0.42403707765060655,0.5478719758755397
EOS-2-01434,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cc2)o1,UOSFDPZHAXSKPE-UHFFFAOYSA-N,2,1,0.529,40,932,449.474,4.519,6,0.369,0.68,1.0,0.44417791789459254,0.38814166266876843,0.5612449455143582,0.4492752381605099,0.46070994105955726
EOS-2-01435,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,QBUOAWJMTJGMCP-UHFFFAOYSA-N,2,1,0.478,12,763,449.474,4.724,6,0.392,0.69,1.0,0.6046792543348639,0.4696816530738126,0.4145534918785553,0.3955691864848194,0.47112089644301286
EOS-2-01436,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccoc6)n5)n34)cc2)cn1,XCIUUFKQCNJIGZ-UHFFFAOYSA-N,2,1,0.506,40,25,449.474,4.426,6,0.371,0.7,1.0,0.3990387910355699,0.2959272839421561,0.5807432663970941,0.48933417860324857,0.44126087999451713
EOS-2-01437,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)o1,PXPRFCPXLDIDPD-UHFFFAOYSA-N,2,1,0.5,77,603,449.474,4.519,6,0.369,0.73,1.0,0.47789733397299705,0.36423994243026525,0.5345161400863546,0.45890446165444454,0.4588894695360154
EOS-2-01438,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C#N)cc5)n34)cn2)cn1,HIHYCXANCRQZGN-UHFFFAOYSA-N,2,1,0.6,89,56,449.474,3.75,5,0.369,0.84,1.0,0.8948238640257693,0.7987115345075732,0.6865276540333082,0.5455760400246727,0.7314097731478308
EOS-2-01439,COc1c[nH]nc1-c1ccc(-c2nnc3cncc(-c4cscc4-c4ccccc4)n23)cc1,UQEWMEWFHFSPEX-UHFFFAOYSA-N,2,1,0.354,69,220,450.527,5.586,6,0.371,0.68,1.0,0.2515677472414502,0.14207388115961894,0.6702419299568227,0.6468199575080529,0.4276758789664862
EOS-2-01440,COc1cc(F)ccc1-c1cc(-c2nnc3cncc(OCc4ccns4)n23)nc(C)n1,WQXSEPNFCWWJQQ-UHFFFAOYSA-N,2,1,0.426,46,531,449.471,3.74,5,0.387,0.54,1.0,0.5357669111095881,0.5193955177849359,0.3297066684942773,0.2644524021657186,0.41233037488863
EOS-2-01441,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1nccs1,XKVKAECBBSFXGH-UHFFFAOYSA-N,2,1,0.451,49,501,449.471,3.474,5,0.348,0.59,1.0,0.6595418408608046,0.547015283393873,0.23505928311973134,0.17484236858337332,0.40411469398944555
EOS-2-01442,COc1ccc(-c2nnc3cncc(OCc4scnc4C)n23)cc1-c1ncc(F)cn1,ZBWDJSYGQUTBIA-UHFFFAOYSA-N,2,1,0.5,16,467,449.471,3.74,5,0.387,0.63,1.0,0.7796244260160373,0.7013741347405935,0.2749468850661367,0.18870365293674182,0.4861622746898774
EOS-2-01443,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccc2F)cn1,WTPQPBDFINCTFS-UHFFFAOYSA-N,2,1,0.512,16,253,449.471,3.569,5,0.372,0.66,1.0,0.6474025083955863,0.6620433829072716,0.4293143033376739,0.3800459187170173,0.5297015283393873
EOS-2-01444,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2F)c(C)n1,BLMKJLHXPAKEQJ-UHFFFAOYSA-N,2,1,0.5,16,256,449.471,3.74,5,0.387,0.64,1.0,0.7052206839832773,0.6190374203275992,0.3786666438215338,0.26446096909053524,0.4918464293057364
EOS-2-01445,COc1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cscn1,VTEGEWBWYSUTOW-UHFFFAOYSA-N,2,1,0.436,49,501,449.471,3.474,5,0.372,0.59,0.997,0.6719638818449729,0.533034062093071,0.29680111027345624,0.23781783291069838,0.4349042217805496
EOS-2-01446,COCc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)s5)n34)cn2)n1,QVVKTRCLCAPLON-UHFFFAOYSA-N,2,1,0.457,7,464,449.471,3.569,5,0.372,0.66,1.0,0.5488229045301899,0.6327445000342677,0.329715235419094,0.26446953601535195,0.4439380439997259
EOS-2-01447,COc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1cscn1,FDEUCERIAQGFEH-UHFFFAOYSA-N,2,1,0.458,49,769,449.471,3.474,5,0.348,0.58,0.996,0.607437804125831,0.5194040847097526,0.2240507847303132,0.17224659036392298,0.38078481598245495
EOS-2-01448,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(OCF)ccn5)n34)cn2)cs1,OGTKJVCCWURISP-UHFFFAOYSA-N,2,1,0.511,24,786,449.471,3.898,5,0.369,0.71,1.0,0.4727828798574464,0.5611335754917415,0.35210060996504694,0.2555942019052841,0.4104028168048797
EOS-2-01449,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1nccs1,MUQAQJZBQWVDLY-UHFFFAOYSA-N,2,1,0.468,49,501,449.471,3.474,5,0.372,0.63,0.947,0.6186005071619491,0.5239788225618532,0.18939757384689193,0.15345932424097047,0.3713590569529162
EOS-2-01450,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnn(C)c6)c5)n34)cc2)s1,QCJDCKWQVXATQP-UHFFFAOYSA-N,2,1,0.307,9,598,450.531,4.686,6,0.387,0.63,1.0,0.053209170036323764,0.07921835377972723,0.3969998629292029,0.3768932903844836,0.22658016928243438
EOS-2-01451,Cc1nn(C)c(-c2ccncc2)c1-c1cncc2nnc(-c3ccc(-c4ccccn4)s3)n12,ZYONTMFABZHZMM-UHFFFAOYSA-N,2,1,0.309,76,272,450.531,4.686,6,0.387,0.67,0.99,0.012490576382701665,0.013972654375985197,0.1829381125351244,0.21469570283051195,0.1060242615310808
EOS-2-01452,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5nccn5C)cn4)n23)s1,LKKXZYGNBRTPKY-UHFFFAOYSA-N,2,1,0.312,30,945,450.531,4.686,6,0.387,0.64,0.995,0.08182269892399424,0.08267082448084435,0.1391354259475019,0.16943663902405592,0.1182663970940991
EOS-2-01453,Cc1c(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)c(-c2ccccc2)nn1C,PZEDIPCBBDVABT-UHFFFAOYSA-N,2,1,0.315,9,598,450.531,4.686,6,0.387,0.72,1.0,0.00520012336371736,0.04217497087245562,0.20319888972654376,0.27306216160646973,0.13090903639229662
EOS-2-01454,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cn(C)cn6)c5)n34)cc2)n1,LLESIEDGFFGVBP-UHFFFAOYSA-N,2,1,0.304,38,532,450.531,4.686,6,0.387,0.69,1.0,0.13579432526900143,0.1420824480844356,0.3633404153245151,0.3099513398670413,0.23779213213624834
EOS-2-01455,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)nc2)n1,XEZIPIVRLAWUQG-UHFFFAOYSA-N,2,1,0.293,38,532,450.531,4.686,6,0.387,0.77,1.0,0.04111267219518881,0.07573161537934343,0.3521091768898636,0.30028784867384006,0.19231032828455896
EOS-2-01456,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)s2)nn1C,ILWXHLPBCYRAHJ-UHFFFAOYSA-N,2,1,0.289,38,270,450.531,4.686,6,0.387,0.68,1.0,0.062110204920841613,0.0954869440065794,0.3260571585223768,0.30674730998560756,0.19760040435885134
EOS-2-01457,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)n1C,SMNJPHGGVFTMIY-UHFFFAOYSA-N,2,1,0.322,38,193,450.531,4.686,6,0.387,0.74,1.0,0.12734733739976697,0.13470632581728462,0.3443389760811459,0.2940425604824892,0.2251087999451717
EOS-2-01458,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5csc(-c6ccncc6)n5)n34)cc2)n1C,NUHPELNPLCQVIL-UHFFFAOYSA-N,2,1,0.337,38,193,450.531,4.686,6,0.387,0.73,1.0,0.07151668836954286,0.10838016585566446,0.3260657254471935,0.28802001233637176,0.19849564800219313
EOS-2-01459,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)nc2)n[nH]1,XBPGCOIHIVHHQK-UHFFFAOYSA-N,2,1,0.278,38,532,450.531,4.984,6,0.407,0.73,0.998,0.10600712768144747,0.16899972585840586,0.40785415667192104,0.3508669727914468,0.2584319957508053
EOS-2-01460,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5)n34)cc2)s1,JYWSRHFARYXDRW-UHFFFAOYSA-N,2,1,0.333,9,98,450.531,4.686,6,0.387,0.66,1.0,0.09134911932012885,0.07228771160304297,0.3112706462888082,0.2940511274073059,0.19223965115482147
EOS-2-01461,Cc1c(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)c2)cnn1C,OBDNOLBAPVVBRU-UHFFFAOYSA-N,2,1,0.28,70,687,450.531,4.686,6,0.387,0.73,1.0,0.046929614145706254,0.05696148310602426,0.3406037968610787,0.31290692892879174,0.18935045576040024
EOS-2-01462,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)n2)cs1,KGPKCFOILKYRHU-UHFFFAOYSA-N,2,1,0.338,38,865,450.531,4.686,6,0.387,0.7,1.0,0.09839113151942978,0.0984939346172298,0.27495545199095334,0.24926324446576656,0.18027594064834487
EOS-2-01463,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)cn5)n34)cc2)cs1,UOHNPBDRUUYUSO-UHFFFAOYSA-N,2,1,0.293,38,532,450.531,4.686,6,0.387,0.77,1.0,0.04262901788773902,0.09219724487697896,0.40066650675073673,0.34122061544787885,0.2191783462408334
EOS-2-01464,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cc2)s1,ZFBIJQWXILBMBQ-UHFFFAOYSA-N,2,1,0.333,9,98,450.531,4.686,6,0.387,0.66,1.0,0.09135768624494552,0.06842402851072579,0.31127921321362484,0.29405969433212253,0.19128015557535466
EOS-2-01465,Cc1ccnc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccccc6)cnn5C)n34)s2)n1,SISRZBJOXGAMKO-UHFFFAOYSA-N,2,1,0.268,76,387,450.531,4.686,6,0.387,0.58,1.0,0.00953498732095127,0.009834829689534644,0.1667037900075389,0.20269344116236035,0.0971917620450963
EOS-2-01466,CCn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,CYYRXAAPLQMJON-UHFFFAOYSA-N,2,1,0.308,8,474,450.531,4.86,6,0.373,0.72,1.0,0.10084983894181344,0.08922452196559523,0.13283873620725103,0.2201185662394627,0.13575791583853059
EOS-2-01467,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)n1C,YVGNGEPIUJCWDR-UHFFFAOYSA-N,2,1,0.276,32,945,450.531,4.686,6,0.387,0.73,0.996,0.04112123912000548,0.06071379617572476,0.11289493523404838,0.14834487012541978,0.09076871016379959
EOS-2-01468,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccccc5)n34)cc2)s1,LUXRUKCHQZOIDR-UHFFFAOYSA-N,2,1,0.352,9,598,450.531,4.686,6,0.387,0.66,1.0,0.027971009526420395,0.06072236310054143,0.24569940374203275,0.2762404907134535,0.15265831677061203
EOS-2-01469,CCc1snnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5c[nH]cn5)cc4)n23)cc1,FRMICIXTRZFZTO-UHFFFAOYSA-N,2,1,0.305,9,98,450.531,4.929,6,0.4,0.63,1.0,0.03972483037488863,0.09850250154204647,0.3041600986909739,0.35718079638133093,0.19989205674730998
EOS-2-01470,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cn1,PEOKQTBQTSPLNK-UHFFFAOYSA-N,2,1,0.326,70,392,449.453,3.85,6,0.377,0.68,1.0,0.25157631416626686,0.29593585086697277,0.4999400315262833,0.48636145569186484,0.38345341306284697
EOS-2-01471,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,UFQUAMHDCUTOKG-UHFFFAOYSA-N,2,1,0.322,42,723,449.453,3.85,6,0.377,0.71,0.991,0.2296449866355973,0.2545490370776506,0.5071876499211843,0.48343156740456444,0.3687033102597491
EOS-2-01472,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c1-c1cccc(F)c1,BMWXVLSIIBLERK-UHFFFAOYSA-N,2,1,0.327,42,693,449.453,3.85,6,0.403,0.75,1.0,0.06753306832979233,0.19950654513055993,0.4183743403467891,0.46205708998697825,0.2868677609485299
EOS-2-01473,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)[nH]1,SAPYNMSJEFUJJF-UHFFFAOYSA-N,2,1,0.294,94,170,449.453,4.148,6,0.43,0.73,0.711,0.14084024398601877,0.19951511205537661,0.517870605167569,0.5588119388664246,0.35425947501884725
EOS-2-01474,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cc2)nn1,ZQNNRHUYAYEBIF-UHFFFAOYSA-N,2,1,0.31,9,537,449.453,4.148,6,0.43,0.74,1.0,0.27777397025563705,0.34995887876088,0.6032057432663971,0.587194160784045,0.4545331882667398
EOS-2-01475,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(F)cc6)c5)n34)cc2)n[nH]1,MNCRVQMCODLOSN-UHFFFAOYSA-N,2,1,0.358,9,98,449.453,4.148,6,0.43,0.61,1.0,0.23527345624014803,0.3546963881844973,0.5612535124391749,0.5842814063463779,0.4338761908025495
EOS-2-01476,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5F)n34)nc2)n1,OGKYEIKGRPEQJY-UHFFFAOYSA-N,2,1,0.321,42,608,449.453,3.85,6,0.403,0.64,1.0,0.15492426838462064,0.3059591529024741,0.5105201836748681,0.4834401343293811,0.36371093482283595
EOS-2-01477,Cn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(-c4cccnc4)cn3)n12,IBOXFRDRVCMMFQ-UHFFFAOYSA-N,2,1,0.346,42,979,449.453,3.85,6,0.403,0.74,0.977,0.11375162771571516,0.3059677198272908,0.322390514700843,0.4176889863614557,0.28994971215132614
EOS-2-01478,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)c1,PAMNOFKXUYLPJY-UHFFFAOYSA-N,2,1,0.345,25,791,449.453,3.85,6,0.403,0.8,1.0,0.1854653553560414,0.29094133369885544,0.5105287505996847,0.5934822835994791,0.39510443081351515
EOS-2-01479,Cn1nccc1-c1nncc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)n1,BCDRZTASQSMOEA-UHFFFAOYSA-N,2,1,0.392,3,186,449.453,3.85,6,0.403,0.76,1.0,0.182561167843191,0.31107360701802483,0.4756442327462134,0.555522239736824,0.38120031183606334
EOS-2-01480,Cc1ccnnc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)[nH]1,SGITZSNGZMWDMB-UHFFFAOYSA-N,2,1,0.353,3,774,449.453,4.148,6,0.43,0.66,0.938,0.22408505242957988,0.4166181207593722,0.44061407717085876,0.5520183674868069,0.40833390446165446
EOS-2-01481,Cn1c(-c2ccc(F)cn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,IDDHGSXMWPCEGA-UHFFFAOYSA-N,2,1,0.329,30,474,449.453,3.85,6,0.403,0.68,1.0,0.16594990062367213,0.2596206565691179,0.23153827702008087,0.35718936330614764,0.25357454937975465
EOS-2-01482,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6F)nc5)n34)nc2)cn1,XVYFDXQABFOJOE-UHFFFAOYSA-N,2,1,0.323,42,714,449.453,3.85,6,0.377,0.68,1.0,0.1358028921938181,0.2292423411692139,0.5903724898910288,0.5487800699061065,0.37604944829004183
EOS-2-01483,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nc2)c1F,PXFUGVUVGQRDIQ-UHFFFAOYSA-N,2,1,0.341,42,392,449.453,3.85,6,0.403,0.59,1.0,0.13826159961620177,0.20889589472962786,0.5549482557741073,0.5290418751285039,0.3577869063121102
EOS-2-01484,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)cn4)n23)c1,CYOWZHDOKNJHMO-UHFFFAOYSA-N,2,1,0.279,9,179,449.453,3.85,6,0.377,0.69,1.0,0.12165033239668288,0.1818415461585909,0.49639332465218283,0.5189414707696526,0.3297066684942773
EOS-2-01485,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nc1,RHZCBQKEPWJZOQ-UHFFFAOYSA-N,2,1,0.309,70,687,449.453,3.85,6,0.403,0.73,1.0,0.2186279213213625,0.2801812761291207,0.44782742786649304,0.4462939483243095,0.34823264341032145
EOS-2-01486,Cn1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5F)n34)c2)n1,ZNMZWJGROIICEI-UHFFFAOYSA-N,2,1,0.31,42,572,449.453,3.85,6,0.403,0.69,0.998,0.11376019464053183,0.2545576040024673,0.6183349324926325,0.6233380165855664,0.4024976869302995
EOS-2-01487,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)c(F)c1,SRIZBSHIZOXNDM-UHFFFAOYSA-N,2,1,0.338,9,50,449.453,3.85,6,0.403,0.71,1.0,0.25938078267425124,0.34526420396134605,0.554956822698924,0.5747806867246933,0.43359562401480367
EOS-2-01488,Cn1cc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)c(F)c5)n34)n2)nn1,BYOKGHFFMWAZJW-UHFFFAOYSA-N,2,1,0.317,30,541,449.453,3.85,6,0.403,0.68,0.995,0.10353128640943048,0.19489753957919265,0.36334898224933176,0.43049653896237405,0.2730685868000822
EOS-2-01489,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)nc2)n1,BLEMRIRGVLCRNI-UHFFFAOYSA-N,2,1,0.329,38,787,449.453,3.85,6,0.403,0.74,1.0,0.24604208073469946,0.29094990062367215,0.5379343430882051,0.5326314166266877,0.4018894352683161
EOS-2-01490,Cc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)c(F)c2)n[nH]1,WTCKUNQMPBUINU-UHFFFAOYSA-N,2,1,0.282,70,392,449.453,4.148,6,0.43,0.63,0.661,0.24319786169556576,0.26994380097320264,0.5141611267219519,0.522076965252553,0.3873449386608183
EOS-2-01491,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)nc1,OQQIOBDUNNBWCK-UHFFFAOYSA-N,2,1,0.282,70,392,449.453,3.85,6,0.377,0.7,1.0,0.19114522650949214,0.25456617092728395,0.4999485984511,0.4863700226166815,0.3580075046261394
EOS-2-01492,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1-c1ccc(F)cc1,WFGLIPAURKLATF-UHFFFAOYSA-N,2,1,0.325,70,596,449.453,3.85,6,0.403,0.65,0.999,0.08183126584881091,0.2089044616544445,0.5105373175245014,0.5425861832636557,0.33596480707285314
EOS-2-01493,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1F,RHAHNXUXOYCYBR-UHFFFAOYSA-N,2,1,0.313,38,787,449.453,3.85,6,0.403,0.64,1.0,0.14945000342676992,0.25962922349393464,0.5209632650263861,0.5487886368309232,0.36970778219450345
EOS-2-01494,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)n6)cn5)n34)cc2)n[nH]1,KXNXCKLSLSCQBG-UHFFFAOYSA-N,2,1,0.321,38,983,449.453,4.148,6,0.43,0.63,1.0,0.18824960592145842,0.2909584675484888,0.5646545815913919,0.5357155095606881,0.3948945411555068
EOS-2-01495,Cn1ccnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)c1,RKILBYKHPDAXNI-UHFFFAOYSA-N,2,1,0.3,42,723,449.453,3.85,6,0.377,0.66,0.993,0.19115379343430883,0.22925090809403056,0.5612620793639915,0.5387910355698718,0.38011445411555067
EOS-2-01496,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ncccn6)c5)n34)cc2F)n[nH]1,HPNMDCGIVIPHGO-UHFFFAOYSA-N,2,1,0.307,42,106,449.453,4.148,6,0.43,0.59,1.0,0.3177558083750257,0.33035775478034407,0.5840586663011446,0.5685182646837091,0.45017262353505594
EOS-2-01497,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cccnc6)c5)n34)c(F)c2)n[nH]1,MXQZTWMCZRICJQ-UHFFFAOYSA-N,2,1,0.303,42,693,449.453,4.148,6,0.43,0.7,1.0,0.32768487423754367,0.3452727708861627,0.5345247070111713,0.5326399835515043,0.4350305839215955
EOS-2-01498,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4)n23)nc1,SUZKTSKJEYQWRG-UHFFFAOYSA-N,2,1,0.361,32,314,449.453,3.85,6,0.403,0.69,1.0,0.21863648824617915,0.29096703447330546,0.40067507367555344,0.4682852443286958,0.3446409601809335
EOS-2-01499,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)c2)n1,QOMWZZJBKATHKZ-UHFFFAOYSA-N,2,1,0.35,25,791,449.453,3.85,6,0.403,0.77,1.0,0.12735590432458366,0.3008961003358235,0.4756527996710301,0.5455846069494894,0.36237235282023167
EOS-2-01500,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c(F)c1,UAGICIXDBZSDMX-UHFFFAOYSA-N,2,1,0.333,9,642,449.453,3.85,6,0.403,0.73,1.0,0.25643376053731753,0.335180933452128,0.5612706462888082,0.5842899732711946,0.4342938283873621
EOS-2-01501,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)c(F)c4)n23)c1,ZINFRTHQANGYMG-UHFFFAOYSA-N,2,1,0.366,25,791,449.453,3.85,6,0.403,0.75,1.0,0.1738828730039065,0.21377047495031185,0.5243129326297032,0.6021862792132137,0.3785381399492838
EOS-2-01502,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)c1,VHCXIZVCRZFOBV-UHFFFAOYSA-N,2,1,0.351,25,791,449.453,3.85,6,0.377,0.79,1.0,0.17964841340552395,0.24463710506476596,0.5278339387293537,0.5872027277088616,0.3848305462271263
EOS-2-01503,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)c(F)c1,RMFZWJUYPFFOKK-UHFFFAOYSA-N,2,1,0.321,42,977,449.453,3.85,6,0.403,0.7,1.0,0.28340243986018776,0.34996744568569665,0.46192858611472826,0.4463025152491262,0.3854002467274347
EOS-2-01504,Cn1cc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)c2)nn1,DDKFXJPPEILHKI-UHFFFAOYSA-N,2,1,0.321,64,27,449.453,3.85,6,0.403,0.73,1.0,0.07152525529435953,0.14209101500925228,0.40426461517373724,0.492443972311699,0.277581214447262
EOS-2-01505,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1F,AVDMIAJOHBCMHN-UHFFFAOYSA-N,2,1,0.333,94,170,449.453,3.85,6,0.403,0.7,1.0,0.24605064765951615,0.32583441847714345,0.6838462065656912,0.6552412446028374,0.47774312932629703
EOS-2-01506,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cc2)n1,YXPRIIWGRXRICP-UHFFFAOYSA-N,2,1,0.308,3,783,449.453,3.944,6,0.402,0.65,1.0,0.014006922075251867,0.17348022753752312,0.48278904804331435,0.5189500376944692,0.2973065588376397
EOS-2-01507,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)nn1,LZBJMWJNFXKBIO-UHFFFAOYSA-N,2,1,0.321,9,537,449.453,4.148,6,0.43,0.74,1.0,0.28064389006922075,0.36926872729764926,0.5903810568158454,0.5811544787882942,0.45536203824275234
EOS-2-01508,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)cc2)nn1,ZCRFDRPENFWQRC-UHFFFAOYSA-N,2,1,0.31,9,537,449.453,4.148,6,0.43,0.74,1.0,0.28891953944212184,0.3642485093550819,0.5936107874717291,0.5842985401960112,0.45776934411623604
EOS-2-01509,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cc1F,USTXMHGXXLSMJR-UHFFFAOYSA-N,2,1,0.312,9,537,449.453,4.148,6,0.43,0.57,1.0,0.2860324857789048,0.30090466726064014,0.5680470838187924,0.5520269344116236,0.42675279281749023
EOS-2-01510,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccnc(F)c6)c5)n34)cc2)nn1,LLEBAGMYWBAFRY-UHFFFAOYSA-N,2,1,0.302,3,150,449.453,3.944,6,0.376,0.67,1.0,0.014846480707285312,0.14580049345486945,0.5807518333219107,0.5487972037557398,0.32254900280995136
EOS-2-01511,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,LZNKZDIHKUFPLC-UHFFFAOYSA-N,2,1,0.33,32,314,449.453,3.85,6,0.403,0.74,1.0,0.2211979987663628,0.33518950037694467,0.47566136659584674,0.5022359673771503,0.3835712082790761
EOS-2-01512,Cc1c(F)cccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nn1,WJXQVHSXHBXUSE-UHFFFAOYSA-N,2,1,0.308,10,37,449.453,3.944,6,0.402,0.71,1.0,0.022299705297786306,0.16900829278322255,0.4478359947913097,0.48020183674868067,0.2798364574052498
EOS-2-01513,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)nc2)cn1,FDZDQJYLDHMDOA-UHFFFAOYSA-N,2,1,0.325,42,106,449.453,3.85,6,0.403,0.81,1.0,0.07741929956822699,0.17772942224659036,0.5243214995545199,0.5520355013364403,0.33287643067644435
EOS-2-01514,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)cn6)cn5)n34)cc2)n[nH]1,YCPSQZYXJGNNFX-UHFFFAOYSA-N,2,1,0.321,38,154,449.453,4.148,6,0.43,0.75,1.0,0.2806524569940374,0.3212339798505928,0.49298368857514907,0.4834487012541978,0.3945797066684943
EOS-2-01515,Cn1nc(-c2cnccn2)nc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cc3)n12,PHKJASUGOUFTMF-UHFFFAOYSA-N,2,1,0.408,3,50,449.453,3.85,6,0.403,0.75,0.954,0.19116236035912548,0.35470495510931394,0.32607429237201013,0.44631108217394283,0.3295631725035981
EOS-2-01516,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5F)cc4)n23)nc1,FWVPHKHRKZMAQT-UHFFFAOYSA-N,2,1,0.313,38,725,449.453,3.85,6,0.403,0.76,1.0,0.28341100678500447,0.3110821739428415,0.5447107806181893,0.57478925364951,0.4284983037488863
EOS-2-01517,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)nc2)n1,UWYYGBIAIPOVDX-UHFFFAOYSA-N,2,1,0.287,10,37,449.453,3.944,6,0.402,0.74,0.916,0.0028956205880337196,0.1115327941881982,0.42214378726612295,0.4650383798231787,0.2504026454663834
EOS-2-01518,Cn1ccnc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cn1,MVRKXIJIZFQPKK-UHFFFAOYSA-N,2,1,0.372,70,687,449.453,3.85,6,0.403,0.57,1.0,0.2322750325543143,0.24464567198958262,0.41838290727160576,0.4305051058871907,0.33145217942567334
EOS-2-01519,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cn6)c5)n34)cc2)cn1,VHPLGHSSMKASTO-UHFFFAOYSA-N,2,1,0.33,42,150,449.453,3.944,6,0.402,0.67,1.0,0.019301281611952572,0.18185011308340757,0.5278425056541703,0.5056627373038174,0.30866415941333697
EOS-2-01520,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)cn6)nn5)n34)cc2)n1,JPZAAVAPQFWESB-UHFFFAOYSA-N,2,1,0.34,3,783,449.453,3.944,6,0.402,0.67,1.0,0.017510794325269002,0.16115242272633815,0.4514255362894935,0.477306216160647,0.2768487423754369
EOS-2-01521,Cc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)cn2)nc1,GSOLVYGJYPZTOX-UHFFFAOYSA-N,2,1,0.302,42,150,449.453,3.944,6,0.402,0.82,1.0,0.0352357617709547,0.16505894044273867,0.4514341032143102,0.46206565691179496,0.27844861558494965
EOS-2-01522,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cc1,PRMPGAHPDOVVAR-UHFFFAOYSA-N,2,1,0.329,9,642,449.453,3.85,6,0.377,0.76,1.0,0.2020166541018436,0.28018984305393735,0.5549653896237406,0.5455931738743061,0.39569126516345693
EOS-2-01523,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cn2)nn1,XLFDMHHXXXYWSE-UHFFFAOYSA-N,2,1,0.356,10,673,449.453,3.944,6,0.402,0.67,0.341,0.013347268864368446,0.16506750736755535,0.5178791720923858,0.5290504420533205,0.3063360975944075
EOS-2-01524,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)c2)nn1,JNHGZCRWSCBMPK-UHFFFAOYSA-N,2,1,0.372,3,74,449.453,3.85,6,0.403,0.68,1.0,0.10353985333424714,0.3009132341854568,0.5936193543965458,0.6496641765471867,0.4119341546158591
EOS-2-01525,Cn1ccnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1F,BOWDVANZYAXEFG-UHFFFAOYSA-N,2,1,0.317,42,171,449.453,3.85,6,0.403,0.69,1.0,0.22965355356041395,0.31109074086765814,0.5714310191213762,0.5651514632307587,0.4193316941950518
EOS-2-01526,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)nc2)n1,ZAZCOLBAMSRJQV-UHFFFAOYSA-N,2,1,0.305,70,687,449.453,3.85,6,0.403,0.72,1.0,0.08873620725104517,0.19952367898019327,0.49995716537591667,0.48345726817901447,0.3179185799465424
EOS-2-01527,Cn1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)n2)cn1,JRHUISUKRBOARS-UHFFFAOYSA-N,2,1,0.341,3,186,449.453,3.85,6,0.403,0.74,1.0,0.2077136591049277,0.26995236789801935,0.4999657323007333,0.5716708930162429,0.3873256630799808
EOS-2-01528,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ncc(-c6ccccn6)cc5F)n34)c2)nn1,OWSXBDFIVKSPSQ-UHFFFAOYSA-N,2,1,0.304,32,179,449.453,3.85,6,0.403,0.68,1.0,0.08183983277362758,0.165076074292372,0.4259303680350901,0.47137790418751285,0.28605604482215063
EOS-2-01529,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(-c2cccc(F)c2)n1,BHPFSGQANJGINJ-UHFFFAOYSA-N,2,1,0.353,9,834,449.453,4.148,6,0.43,0.74,1.0,0.2971352203413063,0.36425707627989856,0.48279761496813106,0.5189586046192859,0.4157871290521554
EOS-2-01530,Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)cn2)nn1,GDYIRQODAPXDJI-UHFFFAOYSA-N,2,1,0.33,3,150,449.453,3.944,6,0.402,0.77,1.0,0.03524432869577136,0.1734887944623398,0.5035124391748338,0.5123106709615517,0.30613905832362415
EOS-2-01531,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cc1,LCKUORLPUBFSFE-UHFFFAOYSA-N,2,1,0.329,42,42,449.453,3.85,6,0.403,0.75,1.0,0.322467617024193,0.280198409978754,0.4406226440956754,0.42118429168665616,0.36611824069631965
EOS-2-01532,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)c1,NWXYNOCLHFPYSY-UHFFFAOYSA-N,2,1,0.341,25,791,449.453,3.85,6,0.403,0.77,1.0,0.19662805839215955,0.23952265094921527,0.4653981906654787,0.5425947501884724,0.3610359125488315
EOS-2-01533,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cc6)nc5)n34)nc2)cn1,XILQIFKWHXLTLS-UHFFFAOYSA-N,2,1,0.413,42,714,449.453,3.85,6,0.403,0.75,1.0,0.1494585703515866,0.3212425467754095,0.5612792132136248,0.5588205057912412,0.39770020903296555
EOS-2-01534,Cn1cc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)c2)cn1,XHHUTYDZJXKYRR-UHFFFAOYSA-N,2,1,0.313,64,967,449.453,3.85,6,0.403,0.74,0.999,0.11663011445411554,0.17773798917140704,0.527851072578987,0.5685268316085258,0.34768650195325884
EOS-2-01535,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)nc2)cn1,WOEGCEUJFKVHGI-UHFFFAOYSA-N,2,1,0.325,64,449,449.453,3.85,6,0.403,0.76,1.0,0.15221712014255362,0.22415358782811323,0.47566993352066345,0.5123192378863684,0.34108996984442463
EOS-2-01536,Cc1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(-c2ncc(F)cn2)n1,JQEMHIZZHXOWTN-UHFFFAOYSA-N,2,1,0.299,10,195,449.453,3.944,6,0.402,0.73,0.992,0.02131450894386951,0.13845007196216846,0.3151086286066753,0.3571979302309643,0.20801778493591938
EOS-2-01537,Cc1ncc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(-c2ccc(F)cc2)n1,SLVYZNFKSXZANG-UHFFFAOYSA-N,2,1,0.31,10,298,449.453,3.944,6,0.402,0.72,0.973,0.02552943595367007,0.15364779658693714,0.36693852374751557,0.4525649372901103,0.24967017339455827
EOS-2-01538,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5ncc(F)cn5)c4)n23)c1,WDTCEPHGIHKJBA-UHFFFAOYSA-N,2,1,0.275,42,151,449.453,3.944,6,0.402,0.73,0.999,0.007067712973750942,0.11738400383798232,0.37083647453909946,0.40464155986567063,0.22498243780412586
EOS-2-01539,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)cc2)n1,IHEVPJRFPLQMSN-UHFFFAOYSA-N,2,1,0.31,9,7,449.453,4.148,6,0.43,0.69,1.0,0.3100969775889247,0.3499760126105133,0.60021588650538,0.5872112946336783,0.4618750428346241
EOS-2-01540,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)cn2)nn1,ZWXZDGUTUNGIDU-UHFFFAOYSA-N,2,1,0.321,38,787,449.453,3.85,6,0.377,0.56,1.0,0.13028579261188403,0.2040641491330272,0.510545884449318,0.5220855321773696,0.3417453395928997
EOS-2-01541,Cn1cncc1-c1cc(F)c(-c2cncc3nnc(-c4cccnc4-c4ccccn4)n23)cn1,OOWOHJDIBACPSU-UHFFFAOYSA-N,2,1,0.34,32,935,449.453,3.85,6,0.403,0.61,1.0,0.22409361935439653,0.269960934822836,0.4406312110204921,0.45257350421492704,0.3468148173531629
EOS-2-01542,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)nc2)nn1,DXYIJROBSPIHQU-UHFFFAOYSA-N,2,1,0.333,32,572,449.453,3.85,6,0.403,0.63,0.978,0.12458022068398328,0.24465423891439927,0.46915050373517925,0.5158145432115687,0.33854987663628267
EOS-2-01543,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)nc5)n34)cc2)n1,LCTRRRJEAGGWCT-UHFFFAOYSA-N,2,1,0.309,42,725,449.453,3.85,6,0.403,0.74,1.0,0.2834195737098211,0.26996950174765266,0.5872284284833116,0.5747978205743266,0.42885383112877795
EOS-2-01544,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c(F)c1,LFICLPIYKWYWAQ-UHFFFAOYSA-N,2,1,0.351,9,50,449.453,3.85,6,0.403,0.72,1.0,0.24883489822493318,0.3110993077924748,0.5714395860461928,0.5811630457131108,0.4281342094441779
EOS-2-01545,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cc1,LJUBNUIXQGECEF-UHFFFAOYSA-N,2,1,0.318,9,642,449.453,3.85,6,0.377,0.69,1.0,0.2212065656911795,0.2596377904187513,0.5579124117606744,0.552044068261257,0.39770020903296555
EOS-2-01546,Cn1nccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)ncn1,UOXCEVXSBUBJOD-UHFFFAOYSA-N,2,1,0.317,38,193,449.453,3.85,6,0.403,0.69,1.0,0.20772222602974436,0.21881639366732916,0.5379429100130217,0.5290590089781372,0.37338513467205814
EOS-2-01547,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)nc2)cn1,GICUKLYSQYDVCK-UHFFFAOYSA-N,2,1,0.314,42,714,449.453,3.85,6,0.377,0.7,1.0,0.11663868137893221,0.2137790418751285,0.6242032759920499,0.5843071071208279,0.38473202659173467
EOS-2-01548,Cn1nc(-c2ccc(F)cn2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,XRFMNRYOKJYSIQ-UHFFFAOYSA-N,2,1,0.306,30,301,449.453,3.85,6,0.403,0.76,0.982,0.12165889932149955,0.20407271605784388,0.22076108560071278,0.3412291823726955,0.22193047083818793
EOS-2-01549,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)cc2)cn1,PZOIVTHOEJPAEU-UHFFFAOYSA-N,2,1,0.313,9,7,449.453,4.148,6,0.43,0.67,1.0,0.30224967445685696,0.3642656432047152,0.6065297100952642,0.5843156740456446,0.46434017545062023
EOS-2-01550,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c(F)c1,NYNMRDTZPPNASX-UHFFFAOYSA-N,2,1,0.343,25,791,449.453,3.85,6,0.403,0.85,1.0,0.20202522102666026,0.3212511137002262,0.44431498869165925,0.532648550476321,0.3750599684737167
EOS-2-01551,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c(F)c1,OPPDGMWMHOVIHN-UHFFFAOYSA-N,2,1,0.325,9,171,449.453,3.85,6,0.403,0.71,1.0,0.24884346514974984,0.3595966691796313,0.6122438489479817,0.6289921869645672,0.4624190425604825
EOS-2-01552,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5F)n34)nc2)nn1,KVFBGXMXIWOQIG-UHFFFAOYSA-N,2,1,0.338,30,945,449.453,3.85,6,0.377,0.73,0.999,0.10601569460626413,0.19953224590500993,0.4221523541909396,0.45564903022411074,0.29583733123158107
EOS-2-01553,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)c(F)c2)nn1,LQDFFHJHJJQSHY-UHFFFAOYSA-N,2,1,0.329,9,171,449.453,3.85,6,0.403,0.73,1.0,0.14379583304776916,0.24466280583921596,0.6535963950380371,0.6609810842300048,0.4257590295387568
EOS-2-01554,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)c1,QRSACXKTZSSZNR-UHFFFAOYSA-N,2,1,0.333,25,791,449.453,3.85,6,0.377,0.76,1.0,0.1796569803303406,0.19490610650400933,0.5105544513741347,0.5811716126379275,0.366572287711603
EOS-2-01555,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)n5)n34)cc2)nn1,RAXZIYYHTOTXMV-UHFFFAOYSA-N,2,1,0.315,3,270,449.453,3.944,6,0.402,0.65,1.0,0.02553800287848674,0.2446713727640326,0.44784456171612635,0.4802104036734974,0.29956608525803574
EOS-2-01556,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ccc4F)n23)cn1,LKTUREZCCMWHOM-UHFFFAOYSA-N,2,1,0.31,94,165,449.453,3.85,6,0.403,0.65,0.775,0.2186450551709958,0.2855527379891714,0.5840672332259612,0.5778904804331437,0.41653887670481804
EOS-2-01557,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)c2)n1,UBKPLUJYYFUAAX-UHFFFAOYSA-N,2,1,0.341,25,791,449.453,3.85,6,0.403,0.76,1.0,0.06211877184565828,0.2339284490439312,0.4551093139606607,0.542603317113289,0.3234399629908848
EOS-2-01558,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6F)cn5)n34)nc2)cn1,PHBAMDDKDUSOSJ-UHFFFAOYSA-N,2,1,0.286,70,714,449.453,3.85,6,0.377,0.76,1.0,0.1137687615653485,0.18620211089027483,0.5936279213213624,0.5619302994996916,0.36388227331916934
EOS-2-01559,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)c1-c1cccc(F)c1,IINCTNAQTIQDHK-UHFFFAOYSA-N,2,1,0.361,94,615,449.453,3.85,6,0.403,0.73,0.999,0.11377732849016517,0.21882496059214585,0.5412411760674388,0.5778990473579604,0.3629356281269276
EOS-2-01560,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cc4)n23)c1,VYDCWUYIUCTSRK-UHFFFAOYSA-N,2,1,0.321,25,791,449.453,3.85,6,0.403,0.75,1.0,0.20773079295456104,0.2446799396888493,0.4864556918648482,0.5619388664245083,0.37520132273319173
EOS-2-01561,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccc(F)cc6)n5)n34)cc2)n1,CRVLAJYMMSJIAV-UHFFFAOYSA-N,2,1,0.387,38,50,449.453,3.85,6,0.403,0.73,1.0,0.22410218627921322,0.31110787471729145,0.5412497429922555,0.5651600301555754,0.41040495853608394
EOS-2-01562,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)c2)o1,CIFQERDZWNIFPY-UHFFFAOYSA-N,2,1,0.397,69,90,449.449,5.018,6,0.373,0.76,1.0,0.3073469947227743,0.4609862243848948,0.705126447810294,0.7311870331025975,0.5511616750051401
EOS-2-01563,Cc1cnnc(-c2cccc(F)c2)c1-c1cncc2nnc(-c3ccc(-c4ccco4)nc3)n12,DVBRHGSJMMNFOC-UHFFFAOYSA-N,2,1,0.343,32,693,449.449,5.018,6,0.373,0.72,0.991,0.29714378726612295,0.3692772942224659,0.6122524158727983,0.6524569940374203,0.48278262284970186
EOS-2-01564,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(-c2ccc(F)cc2)n1,JWOLAKMNGYLVPK-UHFFFAOYSA-N,2,1,0.351,69,30,449.449,5.018,6,0.373,0.75,1.0,0.3606932355561648,0.4609947913097115,0.6759303680350901,0.6958484682338428,0.5483667157837022
EOS-2-01565,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)nc2)o1,ZDPDDERHUILWOR-UHFFFAOYSA-N,2,1,0.362,32,20,449.449,5.018,6,0.373,0.73,1.0,0.2726252484408197,0.42996538962374065,0.6946490987595093,0.6786032485778904,0.51896074635049
EOS-2-01566,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)cn2)o1,WUOQLWJROJNXTM-UHFFFAOYSA-N,2,1,0.333,69,57,449.449,5.018,6,0.373,0.75,1.0,0.3699112466588993,0.4478188609416764,0.7000548283188267,0.6666952230827222,0.5461200397505311
EOS-2-01567,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccno6)c5)n34)cc2F)cn1,RINCDXRVIMBTLD-UHFFFAOYSA-N,2,1,0.341,41,696,449.449,5.018,6,0.373,0.73,1.0,0.3860684668631348,0.3351980673017614,0.7894935234048386,0.7650777876773354,0.5689594613117674
EOS-2-01568,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(-c2ccc(F)cc2)n1,CADMCVBMJZXGCP-UHFFFAOYSA-N,2,1,0.305,69,885,449.449,5.018,6,0.373,0.81,1.0,0.3127612912069084,0.4071259680625043,0.6032143101912137,0.6496727434720033,0.49319357823315746
EOS-2-01569,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)c2)o1,NLMVLLKCXGGPED-UHFFFAOYSA-N,2,1,0.341,69,598,449.449,5.018,6,0.373,0.69,1.0,0.2104550750462614,0.37398910287163317,0.5840758001507779,0.6261565348502501,0.4486691282297307
EOS-2-01570,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)nc2)o1,TXAGBZDNXDKFJG-UHFFFAOYSA-N,2,1,0.397,93,74,449.449,5.018,6,0.373,0.8,1.0,0.31276985813172503,0.4918185868000822,0.659507573161538,0.6873500788157083,0.5378615242272633
EOS-2-01571,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)nc2)no1,NBFACWAQTXNNPV-UHFFFAOYSA-N,2,1,0.392,93,550,449.449,5.018,6,0.373,0.83,1.0,0.3276934411623604,0.4740507847303132,0.6392210951956686,0.6725121650332396,0.5283693715303954
EOS-2-01572,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2)cn1,HVFYTFRUKXBSHI-UHFFFAOYSA-N,2,1,0.321,69,152,449.449,5.018,6,0.373,0.74,1.0,0.3513895552052635,0.43471146597217464,0.7982317867178398,0.7674936604756357,0.5879566170927284
EOS-2-01573,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)nc2)o1,BSHNDIDNNSHPOD-UHFFFAOYSA-N,2,1,0.359,93,651,449.449,5.018,6,0.373,0.71,1.0,0.3127784250565417,0.46100335823452815,0.6093824960592146,0.6468285244328695,0.5074982009457885
EOS-2-01574,Cc1ncc(-c2ncc(F)cn2)cc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,ASVPQQUJAQJYBR-UHFFFAOYSA-N,2,1,0.303,42,106,449.449,5.018,6,0.373,0.71,1.0,0.3969398944554863,0.3303663217051607,0.6392296621204853,0.6261651017750668,0.49817524501404975
EOS-2-01575,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nc2)o1,ORQRNDPETXRTGO-UHFFFAOYSA-N,2,1,0.38,93,74,449.449,5.018,6,0.373,0.8,1.0,0.2860410527037215,0.44782742786649304,0.6480621616064698,0.6786118155027071,0.5151356144198479
EOS-2-01576,O=c1[nH]n(-c2ccccc2)cc1-c1cncc2nnc(-c3cccnc3-c3ccc(F)cc3)n12,NILAFBIOLHBLNX-UHFFFAOYSA-N,2,1,0.315,30,317,449.449,4.138,6,0.437,0.61,0.997,0.20203378795147695,0.2959444177917895,0.6536049619628538,0.7367555342334315,0.4720846754848879
EOS-2-01577,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)cc2)o1,RYPPNQWWTHCDSA-UHFFFAOYSA-N,2,1,0.355,69,152,449.449,5.018,6,0.373,0.78,1.0,0.3201031457747927,0.4210643547392228,0.6647333972997053,0.6609896511548214,0.5167226372421355
EOS-2-01578,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)cc5)n34)cc2)no1,SXRFBPZDFLLAOX-UHFFFAOYSA-N,2,1,0.325,69,867,449.449,5.018,6,0.373,0.78,1.0,0.32770200808717703,0.3787009115208005,0.6892862038242752,0.6958570351586595,0.522886539647728
EOS-2-01579,Fc1ccccc1Oc1ncccc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,QRYXMPDJEURSQA-UHFFFAOYSA-N,2,1,0.317,69,152,449.449,5.175,6,0.39,0.73,1.0,0.4441864848194092,0.5856435473922281,0.7810379686107874,0.762430607908985,0.6433246521828525
EOS-2-01580,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)nc1,QWMNORVALLYBLR-UHFFFAOYSA-N,2,1,0.511,77,897,449.449,4.515,6,0.382,0.56,1.0,0.6929871153450757,0.7648978822561853,0.7025906380645603,0.7126225070248784,0.718274535672675
EOS-2-01581,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)n2)o1,FJJLBPKIMLXBNG-UHFFFAOYSA-N,2,1,0.397,93,74,449.449,5.018,6,0.373,0.77,1.0,0.3022582413816736,0.48740662051949835,0.5807604002467275,0.6351004043588514,0.5013814166266877
EOS-2-01582,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5F)n34)n2)o1,WFMYFQNFDOQCJM-UHFFFAOYSA-N,2,1,0.333,32,20,449.449,5.018,6,0.373,0.65,1.0,0.31530566787745873,0.4696902199986293,0.6674833801658556,0.6580683297923378,0.5276368994585703
EOS-2-01583,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cc5)n34)cc2)o1,YIWBKQLFCMVJRS-UHFFFAOYSA-N,2,1,0.351,69,152,449.449,5.018,6,0.373,0.71,1.0,0.28604961962853814,0.397539579192653,0.6729233774244398,0.6725207319580563,0.5072583270509218
EOS-2-01584,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)cc2)o1,WXAVNEXCMODXKL-UHFFFAOYSA-N,2,1,0.346,69,152,449.449,5.018,6,0.373,0.75,1.0,0.2806610239188541,0.42997395654855736,0.6480707285312864,0.64968131039682,0.5020967548488795
EOS-2-01585,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2)n1,DEIWYWWPWUREDG-UHFFFAOYSA-N,2,1,0.325,69,152,449.449,5.018,6,0.373,0.68,1.0,0.3423171818244123,0.4254591871701734,0.7412788705366322,0.7152439860187787,0.5560748063874992
EOS-2-01586,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)cn5)n34)cc2)o1,YPBPIPNHJUUJIN-UHFFFAOYSA-N,2,1,0.316,41,818,449.449,5.018,6,0.373,0.71,1.0,0.3720958124871496,0.4478359947913097,0.7461534507573162,0.7152525529435954,0.5703344527448427
EOS-2-01587,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)nc5)n34)cc2)o1,SAGTUHWAYIHQDY-UHFFFAOYSA-N,2,1,0.321,69,57,449.449,5.018,6,0.349,0.76,1.0,0.32011171269960936,0.44321842231512576,0.7533325337536838,0.6985556164759098,0.5538045713110822
EOS-2-01588,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cncnc5-c5ccc(F)cc5)n34)cc2)o1,BEZJESKLALDLAR-UHFFFAOYSA-N,2,1,0.367,69,645,449.449,5.018,6,0.373,0.68,1.0,0.37685045576040027,0.5285364265643204,0.7284456171612638,0.717839764238229,0.5879180659310534
EOS-2-01589,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)cc2)o1,XLSQFBSSUXPAIH-UHFFFAOYSA-N,2,1,0.351,69,152,449.449,5.018,6,0.349,0.56,1.0,0.3277105750119937,0.40247412788705367,0.6480792954561031,0.6380388595709684,0.5040757144815298
EOS-2-01590,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)cn2)o1,QAMRNJAOCICKKQ-UHFFFAOYSA-N,2,1,0.358,32,20,449.449,5.018,6,0.373,0.71,0.988,0.3224761839490097,0.4785998218079638,0.6358885614419848,0.638047426495785,0.5187529984236858
EOS-2-01591,Oc1ccccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)no1,ZYMYDIKQAFFZLT-UHFFFAOYSA-N,2,1,0.354,93,107,449.445,5.625,6,0.375,0.72,1.0,0.3926478651223357,0.487415187444315,0.8724384894798163,0.8859570968405182,0.6596146597217463
EOS-2-01592,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)cn1,YZUBMHSXTFFWDR-UHFFFAOYSA-N,2,1,0.511,56,868,449.438,2.402,6,0.402,0.67,1.0,0.43472859982180795,0.3739976697964499,0.29312589952710577,0.2463504900280995,0.33705066479336576
EOS-2-01593,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cnnn6)nc5)n34)cc2)cn1,DKINMDBAKUSUTF-UHFFFAOYSA-N,2,1,0.511,56,868,449.438,2.198,6,0.372,0.7,1.0,0.36070180248098144,0.2188335275169625,0.27496401891577,0.24635905695291618,0.27521460146665755
EOS-2-01594,c1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cnn1,ZBSVWZBBTZXJKX-UHFFFAOYSA-N,2,1,0.432,56,425,449.438,2.402,6,0.402,0.68,1.0,0.43252690014392436,0.34014118292097867,0.22405935165512988,0.18323795490370776,0.2949913474059352
EOS-2-01595,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)cn1,DWMKIPOOVIVQCX-UHFFFAOYSA-N,2,1,0.447,80,584,449.438,2.402,6,0.402,0.58,1.0,0.49743848947981634,0.3975481461174697,0.22406791857994654,0.17485093550818998,0.32347637242135563
EOS-2-01596,c1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)ncn1,XIQZLAQRFXZJNT-UHFFFAOYSA-N,2,1,0.505,56,893,449.438,2.402,6,0.402,0.73,1.0,0.4700671646905627,0.3881502295935851,0.25310979370845044,0.20851895003769447,0.32996153450757315
EOS-2-01597,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4cnc(-c5cncnc5)nc4)n23)cc1,JUJAGBOZGFVJGV-UHFFFAOYSA-N,2,1,0.434,56,761,449.438,2.626,6,0.386,0.68,1.0,0.36758961003358237,0.2646837091357686,0.15399904050442054,0.12360359125488314,0.22746898773216367
EOS-2-01598,c1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,AXKHJAUPYHCBFX-UHFFFAOYSA-N,2,1,0.461,80,277,449.438,2.402,6,0.402,0.68,1.0,0.47007573161537936,0.36427421012953193,0.17655575354670688,0.14346172297991913,0.28859185456788433
EOS-2-01599,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(O)cc6)n5)n34)cn2)nn1,NDVLPOUEAOHGBP-UHFFFAOYSA-N,2,1,0.283,10,952,449.438,2.3,6,0.425,0.6,0.84,0.024458570351586596,0.08267939140566102,0.06976046878212597,0.07669967788362689,0.06339952710575011
EOS-2-01600,c1cnnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,PSBIFDKESYKKEP-UHFFFAOYSA-N,2,1,0.479,56,425,449.438,2.402,6,0.402,0.67,1.0,0.4489925296415599,0.37400623672126654,0.12423754369131657,0.1073007333287643,0.26363426084572683
EOS-2-01601,c1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,LFQFRYWJHBBOBO-UHFFFAOYSA-N,2,1,0.427,56,425,449.438,2.402,6,0.402,0.69,1.0,0.4627938455212117,0.38349838941813447,0.22076965252552944,0.17760091837434033,0.311165701459804
EOS-2-01602,c1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)cn1,GKPJZAPNQWPVIM-UHFFFAOYSA-N,2,1,0.432,56,621,449.438,2.402,6,0.402,0.68,1.0,0.5513415804262902,0.41662668768418887,0.2103694057980947,0.17225515728873964,0.33764820779932836
EOS-2-01603,c1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)nn1,PPDSOOYOMWJAHD-UHFFFAOYSA-N,2,1,0.4,71,350,449.438,2.402,6,0.402,0.57,1.0,0.44900109656637655,0.35471352203413065,0.1996521828524433,0.19138510040435885,0.29868797546432735
EOS-2-01604,c1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)cn2)cn1,AKRQDPAXFGZGDU-UHFFFAOYSA-N,2,1,0.402,80,277,449.438,2.402,6,0.402,0.62,1.0,0.41660955383455556,0.38815879651840174,0.15714310191213762,0.1321619491467343,0.2735183503529573
EOS-2-01605,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)nc5)n34)cn2)cn1,YRRNGVOCDMZSJK-UHFFFAOYSA-N,2,1,0.452,80,855,449.438,2.198,6,0.372,0.66,1.0,0.22121513261599615,0.1496984442464533,0.2207782194503461,0.17485950243300666,0.19163782468645052
EOS-2-01606,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cn2)cn1,GPTRPPXOLVLIBG-UHFFFAOYSA-N,2,1,0.511,56,425,449.438,2.402,6,0.402,0.69,1.0,0.5488314714550065,0.3740148036460832,0.2931344664519224,0.24067918579946543,0.3641649818381194
EOS-2-01607,c1cnnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)n2)c1,DBVMGRCPXXNRRS-UHFFFAOYSA-N,2,1,0.455,81,117,449.438,2.402,6,0.402,0.6,1.0,0.39265643204715234,0.33520663422657804,0.15115482146528683,0.13876704818038516,0.2544462339798506
EOS-2-01608,c1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)cn2)c1,SXSWHSGTODSYJI-UHFFFAOYSA-N,2,1,0.392,6,843,449.438,2.402,6,0.402,0.6,1.0,0.4235144952367898,0.3927078335960524,0.14795935850866973,0.12983174559660066,0.27350335823452815
EOS-2-01609,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)nc1,MZQIIWXTKMEKIN-UHFFFAOYSA-N,2,1,0.5,81,609,449.438,2.402,6,0.402,0.7,1.0,0.4582448084435611,0.40713453498732094,0.14796792543348639,0.14109725173051882,0.28861113014872186
EOS-2-01610,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)ccc1=O,CYUVUPHHZSQYES-UHFFFAOYSA-N,2,1,0.293,98,63,449.438,1.794,6,0.425,0.57,0.999,0.18256973476800767,0.12078507299019944,0.09719176204509629,0.10313720786786375,0.12592094441779178
EOS-2-01611,c1cc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc(-c2nn[nH]n2)c1,MZPKXDRVQUQOKK-UHFFFAOYSA-N,2,1,0.439,6,843,449.438,2.402,6,0.402,0.62,0.999,0.32771914193681034,0.31111644164210817,0.1540076074292372,0.1460746350490028,0.23472945651428961
EOS-2-01612,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)nn2)nc1,TYNLFLUVIYOHRW-UHFFFAOYSA-N,2,1,0.406,6,843,449.438,2.402,6,0.402,0.6,0.99,0.4259646357343568,0.3835069563429511,0.0997704064149133,0.08907031731889521,0.24957807895277911
EOS-2-01613,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cncnc6)nn5)n34)cc2)nn1,WKZBRWPQLBAWJE-UHFFFAOYSA-N,2,1,0.363,56,622,449.438,2.626,6,0.386,0.69,1.0,0.34467308614899594,0.24468850661366595,0.20686553354807757,0.16667808923308888,0.2407263038859571
EOS-2-01614,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6c[nH]nn6)cn5)n34)cn2)cnn1,CSELOEMGTZTJGI-UHFFFAOYSA-N,2,1,0.438,6,843,449.438,2.402,6,0.402,0.56,1.0,0.3446816530738126,0.3401497498457954,0.27497258584058665,0.22917380577068056,0.29724444863271876
EOS-2-01615,c1nncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)n1,KERFTAHLCJQFJP-UHFFFAOYSA-N,2,1,0.418,56,415,449.438,2.402,6,0.402,0.57,1.0,0.487543691316565,0.3835155232677678,0.22779453087519705,0.19960934822835993,0.3246157734219724
EOS-2-01616,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-n6ccnc6)cn5)n34)cn2)c1,OMWVCEFWSRQBDA-UHFFFAOYSA-N,2,1,0.354,80,843,449.438,2.198,6,0.372,0.55,1.0,0.3585001028030978,0.21378760879994518,0.14797649235830307,0.12134192310328284,0.21040153176615722
EOS-2-01617,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)c1,KKAKTZYBXBXVNC-UHFFFAOYSA-N,2,1,0.473,81,893,449.438,2.402,6,0.402,0.7,1.0,0.4373243780412583,0.39271640052086904,0.19280720992392572,0.17760948529915702,0.3001143684463025
EOS-2-01618,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)nc1,DXTUMXSMQLPHJA-UHFFFAOYSA-N,2,1,0.406,80,584,449.438,2.402,6,0.402,0.64,1.0,0.4514855047632102,0.4024826948118703,0.10745493797546432,0.09289973271194572,0.2635807175656226
EOS-2-01619,c1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)cnn1,MLLSORCWSLHRJF-UHFFFAOYSA-N,2,1,0.422,56,197,449.438,2.402,6,0.402,0.65,1.0,0.497447056404633,0.38816736344321845,0.21702590638064562,0.1748680693578233,0.3193770988965801
EOS-2-01620,c1cncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)no2)c1,UTVOQGQQRRFJPZ-UHFFFAOYSA-N,2,1,0.438,40,147,449.434,3.272,6,0.373,0.71,1.0,0.432535467068741,0.3835240901925845,0.19966074977725995,0.1913936673291755,0.3017784935919402
EOS-2-01621,COc1nc(-c2nnc3cncc(OCCc4nnnn4OC)n23)ccc1-c1nccn1C,RCNCNXULQANVRM-UHFFFAOYSA-N,2,1,0.361,31,551,449.435,0.262,5,0.321,0.6,0.994,0.2048865739154273,0.049311219244739905,0.00304982523473374,0.0004197793160167226,0.06441684942772942
EOS-2-01622,c1cnnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)c1,VUQPIGZQKRTTTC-UHFFFAOYSA-N,2,1,0.506,81,609,449.434,3.272,6,0.373,0.61,0.999,0.437332944966075,0.3642827770543486,0.2707319580563361,0.2319580563360976,0.32607643410321435
EOS-2-01623,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ccon6)n5)n34)cn2)nc1,UAZDNKKPFHCNLR-UHFFFAOYSA-N,2,1,0.437,28,297,449.434,3.272,6,0.373,0.68,1.0,0.42352306216160646,0.3352152011513947,0.16671235693235556,0.15098348296895348,0.2691085258035775
EOS-2-01624,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nc5)n34)cc2)cn1,ZKPNLYDOUSTZOG-UHFFFAOYSA-N,2,1,0.517,40,2,449.434,3.272,6,0.373,0.63,1.0,0.5617675279281749,0.3258429854019601,0.39324754985950244,0.33482968953464465,0.4039219381810705
EOS-2-01625,c1cnc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccncc6)n5)n34)cc2)nc1,WUTHTFITCBWQOZ-UHFFFAOYSA-N,2,1,0.459,40,59,449.434,3.272,6,0.373,0.74,1.0,0.4259732026591735,0.34015831677061203,0.16991638681378932,0.15099204989377013,0.27175998903433624
EOS-2-01626,c1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)cn1,FXTWCUOBFYTOFE-UHFFFAOYSA-N,2,1,0.437,40,621,449.434,3.272,6,0.373,0.68,1.0,0.5435199780686725,0.4071431019121376,0.3112877801384415,0.2523816050990336,0.3785831163045713
EOS-2-01627,c1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccno6)n5)n34)cc2)cnn1,BFLSYZDYMVZTQE-UHFFFAOYSA-N,2,1,0.446,40,355,449.434,3.272,6,0.373,0.55,1.0,0.3560499623055308,0.3111250085669248,0.3595195668562813,0.3250890960180933,0.3379459084367076
EOS-2-01628,c1cc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc(-c2nnco2)c1,WCCYGJPRFNRXLZ-UHFFFAOYSA-N,2,1,0.404,6,984,449.434,3.272,6,0.373,0.65,0.944,0.2916952230827222,0.20408128298266054,0.2422297991912823,0.22288568295524638,0.24022299705297784
EOS-2-01629,c1cncc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cccnc6)n5)n34)cn2)c1,ZNEVJXYBPXTWFB-UHFFFAOYSA-N,2,1,0.416,80,518,449.434,3.272,6,0.373,0.77,1.0,0.40532691385100406,0.3547220889589473,0.17336885751490644,0.1722637242135563,0.2764203961346035
EOS-2-01630,c1cc(COc2cncc3nnc(-c4cc(-c5ccc(-c6nnco6)cn5)ccn4)n23)ccn1,LVTUHLNJTJTYOS-UHFFFAOYSA-N,2,1,0.387,6,942,449.434,3.272,6,0.373,0.66,1.0,0.39694846138030293,0.2241621547529299,0.32972380234391063,0.2793502844219039,0.30754617572476184
EOS-2-01631,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)cn5)n34)cc2)c1,IREQTDZZKUYSJL-UHFFFAOYSA-N,2,1,0.529,40,25,449.434,3.272,6,0.373,0.7,1.0,0.4851792200671647,0.35473065588376396,0.31129634706325815,0.2703378795147694,0.3553860256322391
EOS-2-01632,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cnccn6)no5)n34)cc2)nc1,LTTDRXDCLRFMEF-UHFFFAOYSA-N,2,1,0.494,40,355,449.434,3.272,6,0.373,0.7,1.0,0.38832156808991847,0.39755671304228635,0.14496950174765266,0.15614077170858748,0.27174713864711125
EOS-2-01633,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,OPDAIXYMVLZAAP-UHFFFAOYSA-N,2,1,0.294,70,596,449.434,3.369,6,0.386,0.62,1.0,0.27504968816393666,0.09220581180179563,0.3443475430059626,0.26760503049825235,0.2448020183674868
EOS-2-01634,c1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cc(-c2nnco2)c1,OMGROKLQYCVRBD-UHFFFAOYSA-N,2,1,0.4,6,280,449.434,3.272,6,0.373,0.66,1.0,0.42598176958399014,0.2545747378521006,0.3932561167843191,0.3348382564594613,0.35216272016996775
EOS-2-01635,c1cc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cc(-c2nnco2)c1,ISRIHQBYCMUDDN-UHFFFAOYSA-N,2,1,0.506,77,323,449.434,3.272,6,0.373,0.63,1.0,0.6297118086491673,0.38353265711740114,0.4221609211157563,0.37024535672674935,0.4514126859022685
EOS-2-01636,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6nnco6)c5)n34)cc2)cn1,ACJIXWTXPMKXJH-UHFFFAOYSA-N,2,1,0.471,40,2,449.434,3.272,6,0.373,0.6,1.0,0.5675759029538757,0.35960523610444795,0.34061236378589543,0.2910612706462888,0.38971369337262696
EOS-2-01637,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)cn5)n34)cc2)cn1,ZLHAIZAZOLAZPP-UHFFFAOYSA-N,2,1,0.536,40,355,449.434,3.272,6,0.373,0.64,1.0,0.49258104310876566,0.36928586114728257,0.3188523747515592,0.27034644643958605,0.3627664313617984
EOS-2-01638,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nnco6)c5)n34)cc2)cn1,TUOYRRCPLVXGMY-UHFFFAOYSA-N,2,1,0.494,40,2,449.434,3.272,6,0.373,0.6,1.0,0.5872541292577617,0.3692944280720992,0.38589712836680146,0.32509766294291004,0.4168858371598931
EOS-2-01639,c1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)nc1,PKGRDOWTMSJKDS-UHFFFAOYSA-N,2,1,0.489,40,2,449.434,3.272,6,0.373,0.6,1.0,0.6355630182989515,0.36930299499691593,0.32239908162565967,0.2615482146528682,0.3972033273935988
EOS-2-01640,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,MGESHIXUWJZUEQ-UHFFFAOYSA-N,2,1,0.329,42,327,449.434,3.369,6,0.386,0.62,0.998,0.342325748749229,0.13845863888698512,0.3483911315194298,0.2644781029401686,0.2734134055239531
EOS-2-01641,c1cnnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)c1,BKZTYDRHCYUQMT-UHFFFAOYSA-N,2,1,0.489,81,120,449.434,3.272,6,0.373,0.68,1.0,0.4284062093071071,0.3596138030292646,0.19966931670207663,0.16944520594887258,0.2892836337468302
EOS-2-01642,c1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cnccn6)n5)n34)nc2)cc1,ANAOKAAEMJNEOF-UHFFFAOYSA-N,2,1,0.416,28,147,449.434,3.272,6,0.373,0.73,1.0,0.29455657597148927,0.21379617572476184,0.12173600164484956,0.14835343705023646,0.1946105475978343
EOS-2-01643,c1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(-c6ccon6)nc5)n34)ccn2)cn1,RODHMDAIRQDDTR-UHFFFAOYSA-N,2,1,0.5,6,297,449.434,3.272,6,0.373,0.7,1.0,0.4582533753683778,0.2646922760605853,0.3708450414639161,0.3002964155986567,0.348521777122884
EOS-2-01644,c1cc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)nc(-c2nnco2)c1,OBTZYRXUHVPPQB-UHFFFAOYSA-N,2,1,0.489,81,609,449.434,3.272,6,0.373,0.6,1.0,0.3768590226852169,0.33522376807621135,0.31886094167637585,0.2880285792611884,0.3297430779247481
EOS-2-01645,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6nnco6)c5)n34)cc2)ccn1,GUIKVEBITMTEET-UHFFFAOYSA-N,2,1,0.494,81,49,449.434,3.272,6,0.373,0.56,0.999,0.5488400383798232,0.37870947844561714,0.3406209307107121,0.32825885820026046,0.3991073264341033
EOS-2-01646,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncon6)nc5)n34)cc2)nc1,PHTGLDUFIDVEFH-UHFFFAOYSA-N,2,1,0.488,40,8,449.434,3.272,6,0.373,0.65,1.0,0.632530326913851,0.402491261736687,0.1996778836268933,0.19411794942087587,0.3572043554245768
EOS-2-01647,c1cncc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)c1,HYAFBVAFAFOUBV-UHFFFAOYSA-N,2,1,0.467,40,25,449.434,3.272,6,0.373,0.62,1.0,0.43473716674662466,0.32585155232677676,0.21703447330546227,0.19961791515317662,0.29431027688301004
EOS-2-01648,c1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccon6)n5)n34)cn2)ccn1,IWCGBWBMMYBNRH-UHFFFAOYSA-N,2,1,0.419,80,297,449.434,3.272,6,0.373,0.6,1.0,0.3022668083064903,0.25458330477691726,0.2634929065862518,0.24068775272428208,0.26525769309848535
EOS-2-01649,c1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nc(-c2nnco2)c1,GEYMNWGIUTULIL-UHFFFAOYSA-N,2,1,0.473,81,609,449.434,3.272,6,0.373,0.62,0.999,0.3969570283051196,0.32125968062504284,0.31511719553149203,0.27935885134672056,0.3281731889520938
EOS-2-01650,c1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc(-c2cncnc2)c1,LLJKOAGIBAZCRY-UHFFFAOYSA-N,2,1,0.473,81,868,449.434,3.272,6,0.373,0.6,1.0,0.4213299294085395,0.3547392228085806,0.33698855458844496,0.2762490576382702,0.3473266911109588
EOS-2-01651,c1ncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)ncn2)cn1,SQUFYKYBGRKKRP-UHFFFAOYSA-N,2,1,0.483,40,868,449.434,3.272,6,0.373,0.65,1.0,0.4396374477417586,0.37402337057089985,0.4109468165307381,0.33484682338427796,0.38986361455691865
EOS-2-01652,c1cnnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)c1,VNSZYYZAOKLQDQ-UHFFFAOYSA-N,2,1,0.541,81,117,449.434,3.272,6,0.373,0.64,1.0,0.44189054896854224,0.37403193749571656,0.34062949763552874,0.2822202042354876,0.3596930470838188
EOS-2-01653,c1cnnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)n2)c1,DWLQWRGNKCOPCH-UHFFFAOYSA-N,2,1,0.489,40,25,449.434,3.272,6,0.373,0.64,1.0,0.39489239942430265,0.335232335001028,0.23873449386608184,0.21470426975532864,0.2958908745116853
EOS-2-01654,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)nc1,HIUJUTOWKIHTOA-UHFFFAOYSA-N,2,1,0.541,40,2,449.434,3.272,6,0.373,0.65,1.0,0.5961294633678295,0.37871804537043385,0.28238297580700433,0.22582413816736344,0.3707636556781578
EOS-2-01655,c1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)cnn1,HUSUDYJWFCBEII-UHFFFAOYSA-N,2,1,0.467,40,355,449.434,3.272,6,0.373,0.62,1.0,0.4142536495099719,0.32586011925159347,0.3859056952916181,0.3189294770749092,0.3612372352820231
EOS-2-01656,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2)cn1,ISGWOQBJOHLZHO-UHFFFAOYSA-N,2,1,0.517,40,117,449.434,3.272,6,0.373,0.6,1.0,0.4305479405112741,0.34998457953533,0.3406380645603454,0.2822287711603043,0.35084983894181343
EOS-2-01657,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nc5)n34)cc2)cn1,CPXKQBAFWPVFOD-UHFFFAOYSA-N,2,1,0.536,40,2,449.434,3.272,6,0.373,0.61,1.0,0.6016722637242136,0.3162223288328422,0.3369971215132616,0.28223733808512097,0.3842822630388596
EOS-2-01658,c1cncc(-c2noc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)c1,AJWDPBAOYICEGG-UHFFFAOYSA-N,2,1,0.462,40,355,449.434,3.272,6,0.373,0.71,1.0,0.43055650743609075,0.4166352546090056,0.19620827907614283,0.1914022342539922,0.30870056884380787
EOS-2-01659,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6nnco6)n5)n34)cc2)nc1,LCPRVIZJOADSNZ-UHFFFAOYSA-N,2,1,0.432,81,59,449.434,3.272,6,0.373,0.7,1.0,0.5076759646357344,0.35962236995408126,0.18294667945994106,0.1805650743609074,0.307702522102666
EOS-2-01660,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)nn2)c1,WGHUJNNGNYMHAU-UHFFFAOYSA-N,2,1,0.413,81,826,449.434,3.272,6,0.373,0.7,1.0,0.4259903365088068,0.23953121787403195,0.2895449249537386,0.2730707285312864,0.30703430196696596
EOS-2-01661,c1ccc(-c2ncncc2-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)cc1,UTUUKXDTSBIYPO-UHFFFAOYSA-N,2,1,0.467,28,218,449.434,3.272,6,0.373,0.65,1.0,0.47279144678226304,0.1995408128298266,0.23154684394489755,0.22583270509218012,0.28242795216229183
EOS-2-01662,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cn2)cc1,OLHDIOBYOIOUGZ-UHFFFAOYSA-N,2,1,0.43,28,363,449.434,3.272,6,0.373,0.59,1.0,0.4213384963333562,0.28556130491398807,0.20320745665136042,0.20852751696251115,0.27965869371530394
EOS-2-01663,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cn2)nc1,UHEWKPDJZRAKMP-UHFFFAOYSA-N,2,1,0.489,28,297,449.434,3.272,6,0.373,0.66,1.0,0.3607103694057981,0.2909756013981221,0.19281577684874238,0.16945377287368926,0.253488880131588
EOS-2-01664,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cn1,XXMQKCNQDDIAMS-UHFFFAOYSA-N,2,1,0.536,40,2,449.434,3.272,6,0.373,0.64,1.0,0.6242204098416833,0.3499931464601467,0.3521177438146803,0.27936741827153727,0.4014246795970119
EOS-2-01665,c1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)nc1,UOWAJRPRQWTKPP-UHFFFAOYSA-N,2,1,0.484,81,117,449.434,3.272,6,0.373,0.62,1.0,0.45370433829072715,0.34528133781097936,0.24570797066684943,0.2147128366801453,0.31485162086217533
EOS-2-01666,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6nnco6)nn5)n34)cc2)cc1,WVBOTWHMBNMZLP-UHFFFAOYSA-N,2,1,0.459,77,285,449.434,3.272,6,0.373,0.59,1.0,0.4826862449455144,0.4024998286615037,0.16041566719210473,0.21472140360496197,0.3150807861010212
EOS-2-01667,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nn5)n34)cn2)cc1,CAWSYQWOGQGIIN-UHFFFAOYSA-N,2,1,0.436,28,363,449.434,3.272,6,0.373,0.63,1.0,0.3949009663491193,0.29595298471660614,0.17656432047152354,0.19141080117880885,0.26470726817901447
EOS-2-01668,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ncco6)n5)n34)cn2)nc1,NYVCLDKPZIJOJP-UHFFFAOYSA-N,2,1,0.437,28,297,449.434,3.272,6,0.373,0.64,1.0,0.4490096634911932,0.35000171338496333,0.13914399287231854,0.12135049002809951,0.26487646494414363
EOS-2-01669,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cc2)nc1,DMSYXVVIQOLACA-UHFFFAOYSA-N,2,1,0.575,40,8,449.434,3.272,6,0.373,0.63,1.0,0.5812658488109108,0.3547477897333973,0.26736515660338567,0.21730861489959563,0.3551718525118224
EOS-2-01670,c1cc(COc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)nc(-c2ccon2)c1,HAFCQXCPHKMINW-UHFFFAOYSA-N,2,1,0.489,28,297,449.434,3.272,6,0.373,0.67,1.0,0.38141662668768417,0.2959615516414228,0.25637379206360084,0.21472997052977863,0.2871204852306216
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EOS-2-01675,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4nc(-c5cccnn5)no4)n23)cc1,OGBBXWQUQDNUIS-UHFFFAOYSA-N,2,1,0.426,81,797,449.434,3.272,6,0.373,0.61,1.0,0.270063737920636,0.264700842985402,0.08297066684942773,0.11445411555068193,0.18304734082653693
EOS-2-01676,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncccn6)o5)n34)cc2)nc1,HKBBLDIPNZZCBL-UHFFFAOYSA-N,2,1,0.531,40,608,449.434,3.272,6,0.373,0.63,1.0,0.662754437667055,0.44784456171612635,0.15715166883695428,0.1298403125214173,0.34939774518538824
EOS-2-01677,Cc1nn(C)cc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,LCCVYNZBZWISQH-UHFFFAOYSA-N,2,1,0.478,92,535,449.425,3.202,5,0.389,0.68,0.899,0.407622849701871,0.42546775409499005,0.43692173257487493,0.309959906791858,0.39499306079089846
EOS-2-01678,Cc1cc(-c2nccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)n(C)n1,KQASMCSBARJSMP-UHFFFAOYSA-N,2,1,0.489,27,185,449.425,3.202,5,0.389,0.66,0.999,0.4537129052155438,0.45652285655541086,0.3406466314851621,0.23481084230004798,0.3714233088890412
EOS-2-01679,FCCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)cn1,BKVABILGNUKLAI-UHFFFAOYSA-N,2,1,0.396,31,194,449.425,2.57,5,0.333,0.63,0.999,0.39490953327393596,0.22925947501884725,0.26350147351106845,0.24927181139058324,0.2842355732986087
EOS-2-01680,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(F)n4)n23)cn1,VUTXUTOYWFZXKX-UHFFFAOYSA-N,2,1,0.441,58,908,449.425,2.759,5,0.349,0.63,0.999,0.5902439860187787,0.5059283119731341,0.19968645055170997,0.22289424988006304,0.37968824960592146
EOS-2-01681,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cnn2)n1C,PWXAFEWICHWXRM-UHFFFAOYSA-N,2,1,0.517,36,571,449.425,3.202,5,0.389,0.7,0.973,0.6131605099033651,0.4432269892399424,0.37867521074635047,0.35720649715578096,0.4480673017613597
EOS-2-01682,CCn1cnnc1-c1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccn1,MTAXZJVUGWMGDE-UHFFFAOYSA-N,2,1,0.444,75,908,449.425,2.759,5,0.373,0.57,1.0,0.48269481187033103,0.3352409019258447,0.20687410047289426,0.23481940922486463,0.31490730587348364
EOS-2-01683,Cn1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)nc1C(F)F,FUFWZCOPXRJXJS-UHFFFAOYSA-N,2,1,0.582,75,359,449.425,2.936,5,0.373,0.67,0.996,0.470084298540196,0.3740405044205332,0.2387430607908985,0.19141936810362553,0.31857180796381335
EOS-2-01684,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)nc1C(F)F,UXASTCHXOURISN-UHFFFAOYSA-N,2,1,0.506,65,349,449.425,2.936,5,0.373,0.69,1.0,0.48518778699198134,0.39757384689191966,0.26021177438146803,0.20568329792337742,0.3371641765471866
EOS-2-01685,Cc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncnn5C(F)F)c4)n23)ccn1,UNKCGDGNMUCWRD-UHFFFAOYSA-N,2,1,0.5,65,349,449.425,3.165,5,0.373,0.58,1.0,0.42134706325817284,0.35963093687889797,0.41456205880337194,0.3129154958536084,0.37711388869851276
EOS-2-01686,Cc1nn(C)cc1-c1cnc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,XAFPYARDXCJGCP-UHFFFAOYSA-N,2,1,0.489,92,535,449.425,3.202,5,0.389,0.64,1.0,0.43734151189089165,0.429982523473374,0.45144267013912687,0.3099684737166747,0.4071837948050169
EOS-2-01687,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)n5)n34)nn2)cn1,RJQUKDGCTFWTTR-UHFFFAOYSA-N,2,1,0.4,53,44,449.425,2.759,5,0.349,0.69,0.99,0.45606880954012746,0.3258686861764101,0.24943458296209992,0.23782639983551504,0.31729961962853814
EOS-2-01688,Cc1nc(-c2ccc(-c3nnc4cncc(OCCCc5ccc(F)c(F)c5)n34)cn2)no1,WXIPKWXTILUIGM-UHFFFAOYSA-N,2,1,0.607,84,360,449.421,3.835,5,0.345,0.73,1.0,0.7826314166266877,0.7062144472620109,0.42216948804057297,0.4305136728120074,0.5853822561853197
EOS-2-01689,COc1cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1-c1cnn(C)c1,LDJNOHBQWXVEPE-UHFFFAOYSA-N,2,1,0.478,16,83,449.421,3.453,5,0.392,0.63,1.0,0.5561390583236242,0.5285449934891372,0.7412874374614489,0.6147539579192653,0.6101813617983689
EOS-2-01690,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1ccnn1C,RKAWTCKPDSCXQQ-UHFFFAOYSA-N,2,1,0.494,4,224,449.421,3.453,5,0.392,0.62,1.0,0.5704972243163594,0.4652182852443287,0.7555770680556507,0.614762524844082,0.6015137756151052
EOS-2-01691,COc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1ccnn1C,HAQPBZXLTPPNSP-UHFFFAOYSA-N,2,1,0.441,49,910,449.421,3.453,5,0.392,0.7,0.998,0.505131587965184,0.4120005482831883,0.6508892467959702,0.5357240764855048,0.5259363648824618
EOS-2-01692,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cn(C)cn1,CPHCRZXELNHGCY-UHFFFAOYSA-N,2,1,0.571,49,294,449.421,3.453,5,0.392,0.67,0.987,0.7142844904393119,0.5904581591391954,0.6702504968816394,0.5520526351860736,0.6317614454115551
EOS-2-01693,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,PSZXLMVMXBRJJS-UHFFFAOYSA-N,2,1,0.72,43,996,449.421,3.861,5,0.373,0.74,1.0,0.4801761359742307,0.45205948872592694,0.8083578918511412,0.7205383455554794,0.6152829655266945
EOS-2-01694,Cn1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)n1,JJYVUMVSQWOAKW-UHFFFAOYSA-N,2,1,0.646,16,996,449.421,3.767,5,0.373,0.69,1.0,0.6627630045918717,0.6190459872524159,0.8455040778562127,0.7470272770886163,0.718585086697279
EOS-2-01695,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,HUIQABKYFXIVLS-UHFFFAOYSA-N,2,1,0.548,27,430,449.421,4.37,5,0.376,0.75,0.995,0.6270474950311836,0.5517270920430403,0.5968576519772463,0.43968028236584195,0.553828130354328
EOS-2-01696,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)ccc1-c1cc[nH]n1,CLAXMNOQZGZFTI-UHFFFAOYSA-N,2,1,0.465,49,703,449.421,3.485,5,0.406,0.61,1.0,0.7298677266808307,0.6232437804125831,0.6212733877047495,0.5488057706805565,0.6307976663696799
EOS-2-01697,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,NUGDHTMSJHCRKQ-UHFFFAOYSA-N,2,1,0.761,1,431,449.421,3.767,5,0.373,0.79,1.0,0.7507881570831334,0.5517356589678569,0.810551024604208,0.723048454526763,0.7090308237954903
EOS-2-01698,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC(F)F)cn5)n34)cc2)n1,JWCANQOTPZPZCH-UHFFFAOYSA-N,2,1,0.634,1,22,449.421,3.767,5,0.373,0.75,1.0,0.48519635391679805,0.595109999314646,0.8144918100198753,0.6958656020834761,0.6476659413336989
EOS-2-01699,COc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nn2C)cn1,MLUJKQKRBSBKKD-UHFFFAOYSA-N,2,1,0.578,95,998,449.421,3.453,5,0.392,0.77,1.0,0.49745562332944965,0.4347200328969913,0.702599204989377,0.5962922349393461,0.557766774038791
EOS-2-01700,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(OC(F)F)c4)n23)cc1,VHJJNQDFQBMNJD-UHFFFAOYSA-N,2,1,0.684,43,431,449.421,3.767,5,0.373,0.75,1.0,0.7507967240079501,0.6524998286615037,0.80049345486944,0.712631073949695,0.7291052703721472
EOS-2-01701,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1nncn1C,GURUXUDMFZPBNI-UHFFFAOYSA-N,2,1,0.667,43,718,449.421,3.453,5,0.392,0.73,1.0,0.8179871153450757,0.657083133438421,0.7438403810568158,0.6468370913576863,0.7164369302994997
EOS-2-01702,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,RASVFZMGGYVOJF-UHFFFAOYSA-N,2,1,0.518,27,69,449.421,4.37,5,0.376,0.73,1.0,0.5435285449934891,0.5611421424165581,0.6242118429168666,0.4589130285792612,0.5469488897265438
EOS-2-01703,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)n1,SVLZFYZCOLYMNH-UHFFFAOYSA-N,2,1,0.737,27,996,449.421,3.767,5,0.373,0.76,1.0,0.48018470289904736,0.5856521143170448,0.8163593996299089,0.7039613460352272,0.6465393907203071
EOS-2-01704,Cn1cc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)cc5)nc4)n23)cn1,JGXSQNCVMZEFAI-UHFFFAOYSA-N,2,1,0.573,27,996,449.421,3.767,5,0.373,0.82,1.0,0.5051401548900006,0.5285535604139538,0.8291241176067439,0.7367641011582482,0.6498954835172366
EOS-2-01705,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1cncn1C,VCULAEMISQPLQQ-UHFFFAOYSA-N,2,1,0.457,16,591,449.421,3.453,5,0.392,0.7,1.0,0.779632992940854,0.5194126516345693,0.8083664587759578,0.672529298882873,0.6949853505585635
EOS-2-01706,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cn1,LUZYPUIAUQGXAP-UHFFFAOYSA-N,2,1,0.675,16,996,449.421,3.767,5,0.373,0.83,1.0,0.5844184771434446,0.5998218079638133,0.852203413062847,0.7470358440134329,0.6958698855458845
EOS-2-01707,COc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4nc(C)c(F)[nH]4)nc3)n12,CBCTVAMOQFHYKF-UHFFFAOYSA-N,2,1,0.444,16,109,449.421,3.751,5,0.421,0.56,1.0,0.7019481187033103,0.6525083955863203,0.6392382290453019,0.5220940991021863,0.6289472106092797
EOS-2-01708,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1ccn(C)n1,QEAMAXLFXFFUFP-UHFFFAOYSA-N,2,1,0.56,49,294,449.421,3.453,5,0.392,0.69,0.999,0.5872626961825783,0.49698444246453294,0.6566633541224042,0.5357326434103215,0.5691607840449592
EOS-2-01709,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cn5)n34)cc2)cn1,PFRJUVMWXDQOHO-UHFFFAOYSA-N,2,1,0.462,46,348,449.421,3.861,5,0.373,0.79,1.0,0.4974641902542663,0.37404907134534987,0.8325851552326777,0.715261119868412,0.6048398841751765
EOS-2-01710,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1ncn(C)n1,YIJKUCMWGBFMCT-UHFFFAOYSA-N,2,1,0.658,43,718,449.421,3.453,5,0.392,0.73,1.0,0.7683589198821191,0.6668237269549723,0.7361130148721815,0.6206394352683161,0.6979837742443973
EOS-2-01711,Cn1ccc(COc2cncc3nnc(-c4cc(-c5ccc(OC(F)F)cc5)ccn4)n23)n1,KIDJHXNZSKNBCG-UHFFFAOYSA-N,2,1,0.535,27,996,449.421,3.767,5,0.373,0.83,0.999,0.3153142348022754,0.43898636145569186,0.7763861284353368,0.6985641834007265,0.5573127270235076
EOS-2-01712,COc1cc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)ccc1-c1nc[nH]n1,DVJWPWXSCABYAR-UHFFFAOYSA-N,2,1,0.533,47,313,449.421,3.485,5,0.406,0.56,1.0,0.842916866561579,0.7154752929888287,0.715312521417312,0.6321876499211843,0.7264730827222261
EOS-2-01713,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)nn1,BEAYPKOPHGQZNT-UHFFFAOYSA-N,2,1,0.75,1,431,449.421,3.767,5,0.373,0.8,1.0,0.5844270440682613,0.5750890960180933,0.842351449523679,0.765086354602152,0.6917384860530464
EOS-2-01714,CCc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccc2F)no1,PMDOAMMGTTUPSG-UHFFFAOYSA-N,2,1,0.484,16,606,449.421,3.964,5,0.384,0.65,1.0,0.6781406346377904,0.7108148858885615,0.4332036872044411,0.3955777534096361,0.5544342402851072
EOS-2-01715,CCOc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2C)cn1,KHXDBWLAICZZAG-UHFFFAOYSA-N,2,1,0.411,95,956,449.421,4.056,5,0.386,0.71,1.0,0.3652337057089987,0.42999109039819067,0.6298060448221506,0.5456017407991227,0.49265814543211567
EOS-2-01716,Cn1cncc1-c1cccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,IGYLUDORYBEBCA-UHFFFAOYSA-N,2,1,0.679,27,996,449.421,3.767,5,0.373,0.78,1.0,0.6016808306490302,0.6716640394763895,0.7810465355356041,0.6754848879446234,0.6824690734014118
EOS-2-01717,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,INTGSOYGGZDPDD-UHFFFAOYSA-N,2,1,0.707,1,640,449.417,4.935,5,0.348,0.81,1.0,0.8910886848057021,0.7777054348571036,0.8005020217942568,0.74961448838325,0.8047276574600781
EOS-2-01718,COc1cc(C(F)F)c(OC)cc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,UFSHHBPMCIFAJK-UHFFFAOYSA-N,2,1,0.345,96,697,449.417,5.068,5,0.358,0.73,1.0,0.5461500239873894,0.40250839558632034,0.9364591186347748,0.837194160784045,0.6805779247481324
EOS-2-01719,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)ccc1-c1cnco1,ITOCSTNEJPBNCH-UHFFFAOYSA-N,2,1,0.627,91,103,449.417,4.355,5,0.365,0.68,1.0,0.929725515728874,0.7476183949009664,0.8803029264615174,0.8064817353162909,0.8410321431019122
EOS-2-01720,COc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(C)o5)cc4)n23)ccc1OC(F)F,QGQYOODTIRRLLJ-UHFFFAOYSA-N,2,1,0.402,96,697,449.417,5.032,5,0.359,0.77,1.0,0.7966726064012062,0.6864077170858749,0.9174062778425056,0.817284627510109,0.804442807209924
EOS-2-01721,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)cn5)n34)cc2)nc1,OCQOMRVLPAVQNU-UHFFFAOYSA-N,2,1,0.36,86,167,449.413,2.696,6,0.395,0.64,1.0,0.30497395654855736,0.33524946885066137,0.2786306627373038,0.3067558769104242,0.3064024912617367
EOS-2-01722,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)nn2)c1,ONMHDWLDDSTNRV-UHFFFAOYSA-N,2,1,0.327,10,783,449.409,3.705,6,0.399,0.71,1.0,0.03015557535467069,0.1384672058118018,0.5714481529710095,0.655249811527654,0.34883018641628405
EOS-2-01723,N#Cc1ccnc(-n2cc(-c3cncc4nnc(-c5conc5-c5ccc(F)cc5)n34)cn2)c1,ZPSPCEIOFFJFRV-UHFFFAOYSA-N,2,1,0.327,42,673,449.409,3.705,6,0.399,0.73,1.0,0.023439106298403126,0.16902542663285586,0.632787334658351,0.6845401274758413,0.3774479987663628
EOS-2-01724,N#Cc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)c1,KHNNJBSQNXSYGV-UHFFFAOYSA-N,2,1,0.333,3,150,449.409,3.705,6,0.399,0.78,1.0,0.08874477417586184,0.24961448838324996,0.7533411006785005,0.7470444109382496,0.45968619354396545
EOS-2-01725,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)cn1,QUPICBNOSAKNEJ-UHFFFAOYSA-N,2,1,0.518,27,969,449.396,4.299,5,0.357,0.71,1.0,0.9245425262147899,0.9168751285038722,0.9048471660612707,0.8668871221986156,0.9032879857446372
EOS-2-01726,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)c(F)c4)n23)cn1,DJWDGXAYGGDKMZ-UHFFFAOYSA-N,2,1,0.602,35,919,449.396,3.682,5,0.288,0.61,1.0,0.9546981015694607,0.9620485230621616,0.8611558494962648,0.8291498183811938,0.9017630731272703
EOS-2-01727,Fc1ncccc1-c1cnc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1,WIFGVELCESRAAE-UHFFFAOYSA-N,2,1,0.488,27,343,449.396,4.299,5,0.357,0.76,1.0,0.9257590295387568,0.9223151257624563,0.8933674868069358,0.8570180248098143,0.8996149167294908
EOS-2-01728,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,LLRRXQIWUUKWHZ-UHFFFAOYSA-N,2,1,0.454,27,430,449.396,4.299,5,0.357,0.7,0.999,0.8800373517922007,0.8847320265917347,0.8751884723459666,0.813129668974025,0.8632718799259818
EOS-2-01729,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)cc1,XRHAJYOTZNZXGB-UHFFFAOYSA-N,2,1,0.566,27,676,449.396,4.241,5,0.396,0.71,1.0,0.8586714412994312,0.8184411623603591,0.9731769583990131,0.9312247275717909,0.8953785724076486
EOS-2-01730,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)nc4)n23)c1,YUEDSWBXVVTQND-UHFFFAOYSA-N,2,1,0.533,84,672,449.396,3.682,5,0.391,0.58,1.0,0.9122575560276883,0.9537043382907272,0.8145003769446919,0.804314303337674,0.8711941436501953
EOS-2-01731,Fc1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ccc1-c1cncnc1,RVUKAYIBWXVJJG-UHFFFAOYSA-N,2,1,0.565,35,215,449.396,3.682,5,0.391,0.58,1.0,0.9441522171201425,0.9384466451922417,0.8909344801590021,0.880208690288534,0.9134355081899801
EOS-2-01732,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cc1,FAZLRNNRFSEQOR-UHFFFAOYSA-N,2,1,0.588,27,770,449.396,4.241,5,0.396,0.75,1.0,0.9530875197039271,0.8367486806935782,0.9488640257693098,0.8830443424028511,0.9054361421424166
EOS-2-01733,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)nc4)n23)c(F)c1,FOLMSBIYXDRQCJ-UHFFFAOYSA-N,2,1,0.553,84,672,449.396,3.682,5,0.391,0.66,1.0,0.9059951339867042,0.94953224590501,0.8145089438695086,0.802198272907957,0.8680586491672949
EOS-2-01734,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cn2)cn1,SQZDRIZWLRAEKV-UHFFFAOYSA-N,2,1,0.545,84,672,449.396,3.682,5,0.391,0.62,1.0,0.9164382153382222,0.9506288122815434,0.8196919333835926,0.8000651086286067,0.8717060174079911
EOS-2-01735,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)c(F)c4)n23)c1,RFPQZHCSCCUKGQ-UHFFFAOYSA-N,2,1,0.571,35,716,449.396,3.682,5,0.365,0.62,1.0,0.9555547940511274,0.9557346994722774,0.8580546227126311,0.8372027277088616,0.9016367109862244
EOS-2-01736,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)ncc1F,FHTRSEBKKASRNH-UHFFFAOYSA-N,2,1,0.617,59,294,449.396,3.948,5,0.401,0.73,1.0,0.9373843465149749,0.9241398807484066,0.7916266876841889,0.757247618394901,0.8525996333356178
EOS-2-01737,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)cn1,ZZGIDNLMNIMRIX-UHFFFAOYSA-N,2,1,0.571,35,161,449.396,3.682,5,0.365,0.64,1.0,0.9432526900143924,0.952702008087177,0.8710849153587829,0.8485710369405798,0.903902662600233
EOS-2-01738,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ncncn5)cc4)n23)cc1F,MJDPAIWAEWWGFH-UHFFFAOYSA-N,2,1,0.612,88,781,449.396,3.682,5,0.365,0.64,1.0,0.9888201631142485,0.9718576519772463,0.8803114933863341,0.8503272565279967,0.9228291412514563
EOS-2-01739,Fc1ccc(-c2cncnc2)cc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,LEFRYXDRTQPQCT-UHFFFAOYSA-N,2,1,0.479,27,988,449.396,4.299,5,0.382,0.71,0.999,0.8698084435610993,0.8953378795147694,0.9379411966280584,0.9006922075251867,0.9009449318072784
EOS-2-01740,Fc1ccc(-c2nnc3cncc(OCCc4cnc(-c5cnccn5)c(F)c4)n23)cc1F,WVKPWFJCNHPWKN-UHFFFAOYSA-N,2,1,0.658,84,429,449.396,3.682,5,0.391,0.71,1.0,0.9555633609759441,0.9645329312589953,0.8105595915290248,0.8085634980467411,0.8848048454526763
EOS-2-01741,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)ccc2F)nn1,XKIFVXFNVKUVKM-UHFFFAOYSA-N,2,1,0.518,59,980,449.396,3.948,5,0.401,0.68,1.0,0.8562984031252142,0.8145860461928586,0.8536683572064971,0.8311887464875608,0.8389353882530326
EOS-2-01742,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cn1,QFPFPFXKQAYBHS-UHFFFAOYSA-N,2,1,0.571,27,988,449.396,4.241,5,0.396,0.74,1.0,0.8522205469124803,0.8300664793365773,0.9622798300322116,0.9007007744500034,0.8863169076828181
EOS-2-01743,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncnn5)c4)n23)c(F)c1,XCIJOYNJCOXRMK-UHFFFAOYSA-N,2,1,0.595,88,70,449.396,3.682,5,0.391,0.62,1.0,0.9636848057021452,0.9537129052155439,0.889829346857652,0.889855047632102,0.9242705263518608
EOS-2-01744,Fc1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)nc1,NGTWCQUHGIBTKB-UHFFFAOYSA-N,2,1,0.5,27,343,449.396,4.299,5,0.382,0.72,1.0,0.8782211637310671,0.8997412788705367,0.8522119799876636,0.8172931944349257,0.8618669042560483
EOS-2-01745,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnc5)n4)n23)cc1,KNGSBDXBANFCSZ-UHFFFAOYSA-N,2,1,0.535,27,676,449.396,4.241,5,0.396,0.73,1.0,0.8332619422931944,0.8403810568158454,0.9407768487423754,0.8758738263313001,0.8725734185456788
EOS-2-01746,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(-c5ncncn5)c(F)c4)n23)c1,ARHBWBVEEQAXAJ-UHFFFAOYSA-N,2,1,0.63,88,752,449.396,3.682,5,0.391,0.68,1.0,0.9748389418134467,0.9697930230964293,0.8565725447193475,0.8485796038653964,0.912446028373655
EOS-2-01747,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)c(F)c4)n23)nc1,XVKJERBXJSWBNU-UHFFFAOYSA-N,2,1,0.533,37,141,449.396,3.682,5,0.391,0.67,1.0,0.9432612569392091,0.9398173531629086,0.7895020903296552,0.7817747241450209,0.8635888561441984
EOS-2-01748,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cc(F)c(F)cn5)c4)n23)cn1,LFNPIHNAPZBYTC-UHFFFAOYSA-N,2,1,0.495,2,76,449.396,3.682,5,0.365,0.57,1.0,0.7910441367966554,0.8107223631005415,0.8505328627235967,0.8311973134123775,0.8208741690082928
EOS-2-01749,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)cn2)ccn1,ISYHXWRATLPORK-UHFFFAOYSA-N,2,1,0.495,35,698,449.396,3.682,5,0.365,0.62,1.0,0.869817010485916,0.9356195600027414,0.8359091220615448,0.8043228702624906,0.8614171407031732
EOS-2-01750,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)n5)n34)ccc2F)nc1,DEUOKDBMNSMHNF-UHFFFAOYSA-N,2,1,0.494,37,141,449.396,3.682,5,0.391,0.65,1.0,0.8981392639298198,0.932535467068741,0.7510965663765334,0.7723254060722363,0.8385241758618326
EOS-2-01751,Fc1ccc(-c2nnc3cncc(OCCc4cnc(F)c(F)c4)n23)cc1-c1cncnc1,DEZBEVFAYNGPLU-UHFFFAOYSA-N,2,1,0.547,35,494,449.396,3.682,5,0.365,0.65,1.0,0.9617486806935782,0.9537214721403605,0.8864197107806182,0.8685148379137825,0.9176011753820849
EOS-2-01752,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)cn1,HTMWSZYZZDSIIE-UHFFFAOYSA-N,2,1,0.524,27,69,449.396,4.299,5,0.357,0.64,1.0,0.6840089781372078,0.8403896237406621,0.9026540333082037,0.845109999314646,0.8180406586251799
EOS-2-01753,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cn2)c1,BRZISPZNDWEGAY-UHFFFAOYSA-N,2,1,0.495,87,307,449.396,3.682,5,0.391,0.68,0.999,0.8838239325611679,0.922323692687273,0.7695068878075526,0.7770714824206703,0.8381814988691659
EOS-2-01754,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)cn2)cn1,NSOGVMRTPWBCOD-UHFFFAOYSA-N,2,1,0.5,87,307,449.396,3.682,5,0.365,0.68,1.0,0.8653964772805154,0.9241484476732232,0.8125985196353916,0.7909327667740388,0.8482690528407922
EOS-2-01755,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)c(F)c5)nc4)n23)c1,MKQFPRFNNRDHNW-UHFFFAOYSA-N,2,1,0.489,87,490,449.396,3.682,5,0.365,0.64,0.771,0.8720786786375163,0.927917894592557,0.7935285449934891,0.7796501267904873,0.8432938112535124
EOS-2-01756,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nc1,PDPDJDILMJUZEL-UHFFFAOYSA-N,2,1,0.5,27,676,449.396,4.241,5,0.396,0.8,0.998,0.6131690768281818,0.6473768076211364,0.9353539853334247,0.8802172572133506,0.7690292817490234
EOS-2-01757,Fc1cnc(F)c(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)c1,DBWBSLGEGKXNBM-UHFFFAOYSA-N,2,1,0.49,87,699,449.396,3.682,5,0.365,0.74,1.0,0.8610701802480981,0.9088393530258378,0.7284541840860804,0.7311956000274141,0.8073898293468575
EOS-2-01758,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)n1,IJYOIYCBGJHKDJ-UHFFFAOYSA-N,2,1,0.432,44,500,449.396,3.948,5,0.375,0.67,1.0,0.6688712219861559,0.6764786512233568,0.760006168185868,0.7520731958056336,0.7143573093002537
EOS-2-01759,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)cn1,HUJUPAPFMDXQID-UHFFFAOYSA-N,2,1,0.547,27,430,449.396,4.241,5,0.396,0.83,1.0,0.9012661914879035,0.8334675484887945,0.9434497292851758,0.8553389075457474,0.8833805942019053
EOS-2-01760,Fc1cc(F)nc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)c1,FPHFBWSDXPEMKM-UHFFFAOYSA-N,2,1,0.447,11,814,449.396,3.682,5,0.365,0.59,0.879,0.8357377835652114,0.8145946131176752,0.6595161400863546,0.6725378658076897,0.7455966006442327
EOS-2-01761,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)c5F)nn4)n23)c1,IZSJJMGIYINDAT-UHFFFAOYSA-N,2,1,0.448,54,691,449.396,3.682,5,0.391,0.72,0.864,0.7938883558357892,0.7777140017819204,0.7487063943526832,0.7863323281474882,0.7766602700294702
EOS-2-01762,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5F)ncn4)n23)c1,UMXWKWTZHKJEHY-UHFFFAOYSA-N,2,1,0.453,44,130,449.396,3.682,5,0.391,0.58,0.869,0.8101740799122746,0.764906449181002,0.7763946953601535,0.8022068398327736,0.7884205160715508
EOS-2-01763,Fc1ccc(-c2ccnnc2COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1,QZZLAVASLVLPQA-UHFFFAOYSA-N,2,1,0.489,27,51,449.396,4.299,5,0.382,0.63,1.0,0.8586800082242478,0.8847405935165513,0.8816907682818176,0.8604190939620314,0.871382615996162
EOS-2-01764,Cc1nccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cc2F)n1,GXNUWTYPNANYFO-UHFFFAOYSA-N,2,1,0.506,73,526,449.396,3.948,5,0.401,0.69,1.0,0.8875419779316017,0.8300750462613941,0.8042286340895072,0.770038037146186,0.8229709238571723
EOS-2-01765,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)ccn1,QPDBYJPIJJMNPU-UHFFFAOYSA-N,2,1,0.462,27,343,449.396,4.299,5,0.357,0.69,1.0,0.8357463504900281,0.8504043588513467,0.9059437324378041,0.8717788362689329,0.865968319512028
EOS-2-01766,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)ccn2)nc1,GBNGNKDCWOBQFP-UHFFFAOYSA-N,2,1,0.634,73,166,449.396,3.682,5,0.391,0.7,1.0,0.923197519018573,0.876884723459667,0.7672623535055856,0.7675022274004524,0.8337117058460695
EOS-2-01767,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc(F)c(F)nn5)cc4)n23)nc1,QSZLNOKMBIBYFH-UHFFFAOYSA-N,2,1,0.557,72,889,449.396,3.682,5,0.391,0.49,1.0,0.9570197381947776,0.9340603796861079,0.7695154547323693,0.7572561853197176,0.8544629394832431
EOS-2-01768,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(C(F)F)nc5)ccn4)n23)ccn1,BHXMIOAGKYYJKZ-UHFFFAOYSA-N,2,1,0.389,46,157,449.396,4.299,5,0.357,0.66,1.0,0.7236567061887464,0.7013827016654102,0.9048557329860873,0.852126310739497,0.7955053628949352
EOS-2-01769,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)nn4)n23)cc1,YKOJQQDLFSBDAB-UHFFFAOYSA-N,2,1,0.553,1,676,449.396,4.241,5,0.396,0.74,1.0,0.8101826468370914,0.7987201014323898,0.9339404427386745,0.8733123158111165,0.8540388767048179
EOS-2-01770,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nn2)ccn1,OSQVLKSQRRTXIT-UHFFFAOYSA-N,2,1,0.484,72,676,449.396,4.299,5,0.357,0.74,1.0,0.8332705092180112,0.8262199300938935,0.9026626002330204,0.8685234048385991,0.8576691110958811
EOS-2-01771,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cn2)nc1,UFCKQIRLBOXPSO-UHFFFAOYSA-N,2,1,0.557,84,166,449.396,3.682,5,0.391,0.68,1.0,0.9363734493866082,0.9440579809471592,0.7337913782468645,0.7418956891234323,0.839029624426016
EOS-2-01772,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)nc1,XTBGMJIEFFRMTJ-UHFFFAOYSA-N,2,1,0.725,84,166,449.396,3.682,5,0.391,0.69,1.0,0.962451168528545,0.964541498183812,0.7834110067850044,0.7700466040710027,0.870112569392091
EOS-2-01773,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2F)nc1,ZBSDSFKLQSCFAK-UHFFFAOYSA-N,2,1,0.602,35,325,449.396,3.682,5,0.365,0.7,1.0,0.9653896237406621,0.9611918305804948,0.7810551024604208,0.7650949215269687,0.8681828695771365
EOS-2-01774,Fc1ncccc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,KSIPQHZMQITTRP-UHFFFAOYSA-N,2,1,0.473,27,430,449.396,4.299,5,0.357,0.67,1.0,0.8875505448564184,0.8597680076759646,0.9125830991707217,0.8588427797957645,0.8796861078747172
EOS-2-01775,N=c1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)ccc2F)c[nH]1,UFIQFGMCMYXCRN-UHFFFAOYSA-N,2,1,0.517,59,146,449.396,3.657,5,0.426,0.7,1.0,0.9308563498046741,0.8300836131862107,0.9364676855595915,0.9208159139195394,0.904555890617504
EOS-2-01776,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nn4)n23)ccc1F,UYELBAKFDUZBNE-UHFFFAOYSA-N,2,1,0.444,54,691,449.396,3.948,5,0.401,0.65,0.906,0.6502809951339867,0.7108234528133781,0.7935371119183058,0.7841306284696046,0.7346930470838188
EOS-2-01777,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)cc1,IQOXIRRWZCRSQU-UHFFFAOYSA-N,2,1,0.432,27,988,449.396,4.241,5,0.396,0.78,1.0,0.7447227743129327,0.5856606812418614,0.9735453361661298,0.9362877801384415,0.8100541429648414
EOS-2-01778,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,UFUYFPBJZSMZJD-UHFFFAOYSA-N,2,1,0.517,27,343,449.396,4.241,5,0.396,0.74,1.0,0.847508738263313,0.8262284970187102,0.955280652456994,0.9007093413748201,0.8824318072784593
EOS-2-01779,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ncn4)n23)n1,RMCVOZHCKGPFJZ-UHFFFAOYSA-N,2,1,0.438,44,130,449.396,3.682,5,0.365,0.6,0.988,0.7796415598656706,0.7291224042217805,0.7739359879377699,0.7841391953944212,0.7667097868549106
EOS-2-01780,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c1F,PEYAZQHOAQZTGB-UHFFFAOYSA-N,2,1,0.462,54,691,449.396,3.682,5,0.365,0.74,0.993,0.8522291138372969,0.8367572476183949,0.7935456788431224,0.8022154067575903,0.8211868617641012
EOS-2-01781,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)nn2)c1,ANBFHWSHJAAVTQ-UHFFFAOYSA-N,2,1,0.473,54,691,449.396,3.682,5,0.391,0.71,0.996,0.8586885751490645,0.7987286683572065,0.8042372010143239,0.8291583853060106,0.8227032074566514
EOS-2-01782,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)cc1,IWAFDDCOFXWRJL-UHFFFAOYSA-N,2,1,0.523,1,676,449.396,4.241,5,0.396,0.77,1.0,0.7882598862312384,0.7777225687067371,0.9513570008909602,0.8993814680282366,0.8541802309642931
EOS-2-01783,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(F)ccc5F)n34)cn2)cc1F,NMHRNAHAAIBIKJ-UHFFFAOYSA-N,2,1,0.441,59,390,449.396,3.948,5,0.375,0.7,1.0,0.7356418340072648,0.8403981906654787,0.7958758823932561,0.7546004386265506,0.7816290864231376
EOS-2-01784,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nn2)c1,KNWLDZDWUBUUTK-UHFFFAOYSA-N,2,1,0.5,27,676,449.396,4.299,5,0.382,0.71,1.0,0.8522376807621136,0.8404067575902954,0.8981735316290864,0.8733208827359331,0.8660347131793571
EOS-2-01785,FCc1cccc(-c2cncc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)n1,YENOCYBHDDSEDS-UHFFFAOYSA-N,2,1,0.481,96,121,449.396,4.381,5,0.38,0.72,1.0,0.6627715715166884,0.7154838599136454,0.8325937221574944,0.8043314371873073,0.7537951476937839
EOS-2-01786,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccn5)n4)n23)cn1,OJMOBAWNJUXXQO-UHFFFAOYSA-N,2,1,0.553,27,786,449.396,4.241,5,0.396,0.72,1.0,0.7266893975738469,0.7906586251799054,0.8981820985539031,0.7770800493454869,0.7981525426632856
EOS-2-01787,FCc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(F)c5F)n34)c2)ccn1,JPLJKUBYDMNVAD-UHFFFAOYSA-N,2,1,0.371,46,160,449.396,3.97,5,0.362,0.63,0.985,0.6562435748063875,0.5856692481666781,0.8308889041189774,0.7841477623192379,0.7142373723528203
EOS-2-01788,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)nn2)cn1,CNNLMQZMZMFODX-UHFFFAOYSA-N,2,1,0.602,19,691,449.396,3.682,5,0.365,0.73,0.997,0.9270183674868069,0.8900263861284353,0.8271537248989103,0.8250548283188267,0.8673133267082448
EOS-2-01789,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccc5F)nn4)n23)cc1F,UQUQEYZTQJHWTQ-UHFFFAOYSA-N,2,1,0.598,54,691,449.396,3.682,5,0.391,0.71,1.0,0.8838324994859845,0.8300921801110274,0.8308974710437941,0.8430453704338291,0.8469668802686587
EOS-2-01790,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cnccc5F)nn4)n23)c1,DRHIPSNKLHDWTL-UHFFFAOYSA-N,2,1,0.494,54,691,449.396,3.682,5,0.391,0.62,1.0,0.8284730313206772,0.7987372352820231,0.8126070865602083,0.8392245219655953,0.8197604687821259
EOS-2-01791,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)cn1,CVWUNRANKNRFLZ-UHFFFAOYSA-N,2,1,0.704,84,360,449.396,3.682,5,0.365,0.73,1.0,0.9538928106366938,0.9645500651086286,0.8580631896374478,0.8250633952436434,0.9003923651566034
EOS-2-01792,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)c1,XDUKAUXNPQGARR-UHFFFAOYSA-N,2,1,0.458,84,442,449.396,3.682,5,0.365,0.65,1.0,0.84985607566308,0.840415324515112,0.8470032896991296,0.8430539373586458,0.8450821568089918
EOS-2-01793,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)nn2)c1,ZDCSFJQSJLUMIT-UHFFFAOYSA-N,2,1,0.506,54,691,449.396,3.682,5,0.391,0.68,1.0,0.8498646425878966,0.7906671921047221,0.8042457679391406,0.82507196216846,0.8174623912000548
EOS-2-01794,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(C(F)F)nc5)n34)c2)cn1,MIAHLKDGKLIBBN-UHFFFAOYSA-N,2,1,0.473,46,157,449.396,4.299,5,0.357,0.72,1.0,0.7112346652045781,0.6620519498320883,0.9015831677061202,0.8451185662394627,0.7799970872455623
EOS-2-01795,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnc(F)cn5)c4)n23)cn1,JJZFOVWNMUFULU-UHFFFAOYSA-N,2,1,0.583,35,669,449.396,3.682,5,0.365,0.72,1.0,0.9647471043794119,0.9557432663970941,0.8359176889863614,0.815348502501542,0.8929391405661024
EOS-2-01796,OCC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)cn1,REMIJIWETHNKLP-UHFFFAOYSA-N,2,1,0.395,82,680,449.396,3.534,5,0.41,0.61,1.0,0.4033136865190871,0.6190545541772325,0.947673223219793,0.8981563977794531,0.7170494654238915
EOS-2-01797,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)c(F)c1,HMUQSJNPTFFUBU-UHFFFAOYSA-N,2,1,0.489,84,442,449.396,3.682,5,0.365,0.66,1.0,0.8259714892742102,0.830100747035844,0.8488194777602632,0.8411863477486121,0.8365195154547324
EOS-2-01798,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cncc(F)c1,ORBZHXQKSZPWGR-UHFFFAOYSA-N,2,1,0.5,13,209,449.392,5.072,5,0.373,0.75,1.0,0.9217497087245562,0.8714447262010828,0.9636334041532452,0.9469707353848262,0.9259496436159276
EOS-2-01799,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)c(F)c1F,GSNAPHFKSJWFOD-UHFFFAOYSA-N,2,1,0.567,57,881,449.392,4.975,5,0.341,0.77,1.0,0.9723716674662464,0.960463641971078,0.9616715783702282,0.937975464327325,0.9581205880337194
EOS-2-01800,FC(F)(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)cc1,CHIFLCBSEOHZPJ-UHFFFAOYSA-N,2,1,0.6,79,640,449.392,5.544,5,0.351,0.89,1.0,0.9770920430402302,0.9527105750119937,0.9822664656294976,0.9623654992803783,0.968608645740525
EOS-2-01801,OCc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)cc1F,AREUWEJOFFVAPY-UHFFFAOYSA-N,2,1,0.467,13,145,449.392,4.555,5,0.424,0.75,1.0,0.9076571174011376,0.9279264615173737,0.9700157631416627,0.9629994517168118,0.9421496984442465
EOS-2-01802,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccccn5)n34)c(F)c2)c(F)c1,RYOVVXZPIQSKBX-UHFFFAOYSA-N,2,1,0.654,57,881,449.392,4.975,5,0.364,0.69,1.0,0.8284815982454938,0.9185970803920225,0.945377287368926,0.9346086628743746,0.9067661572202041
EOS-2-01803,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1cncc(F)c1,XAMJJCIHCFNOET-UHFFFAOYSA-N,2,1,0.617,13,209,449.392,5.072,5,0.373,0.71,1.0,0.9570283051195942,0.890034953053252,0.967454252621479,0.952290795695977,0.9417020766225754
EOS-2-01804,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)cc2F)c[nH]1,HUMPVUDYGQLGFF-UHFFFAOYSA-N,2,1,0.5,57,962,449.392,4.143,5,0.436,0.7,1.0,0.9330494825577411,0.8301093139606607,0.9627424439723117,0.9611147282571448,0.9217539921869646
EOS-2-01805,Fc1cnc(COc2cncc3nnc(-c4ccc(F)c(Oc5ccccc5)c4)n23)cc1F,TUPLNJISROBIMS-UHFFFAOYSA-N,2,1,0.523,57,881,449.392,4.975,5,0.364,0.68,1.0,0.9107240764855048,0.9259218011102734,0.9470564046329929,0.935448221506408,0.9297876259337947
EOS-2-01806,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccnc5F)n34)cn2)nn1,AJVMRHZTXPDUHT-UHFFFAOYSA-N,2,1,0.426,55,283,449.381,2.299,5,0.356,0.65,1.0,0.7683674868069358,0.5611507093413748,0.3336988554588445,0.27308786238091975,0.4840762284970187
EOS-2-01807,Cn1nc(-c2cnc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)nn2)ccc1=O,JUQGOPUHUWDDDK-UHFFFAOYSA-N,2,1,0.478,36,446,449.381,1.594,5,0.393,0.54,1.0,0.480193269823864,0.5101089712836681,0.19282434377355903,0.25239017202385033,0.35887918922623535
EOS-2-01808,FC(F)Oc1cccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)n1,MQZUAXUOAUBIIF-UHFFFAOYSA-N,2,1,0.43,53,670,449.381,2.614,5,0.366,0.65,0.971,0.5561476252484409,0.46969878692344597,0.43321225412925773,0.3605989993831814,0.45491441642108155
EOS-2-01809,COc1ncc(-c2nnc3cncc(OCc4cncc(-c5c(F)ccnc5F)n4)n23)cn1,IZWIMBBIZPCXJS-UHFFFAOYSA-N,2,1,0.441,7,535,449.381,2.299,5,0.356,0.68,1.0,0.5731101363854431,0.4610119251593448,0.30755260091837433,0.24367760948529915,0.39633806798711535
EOS-2-01810,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nn4)n23)nc1,DSJYANXTTQYVRI-UHFFFAOYSA-N,2,1,0.467,53,226,449.381,2.614,5,0.366,0.65,1.0,0.5617760948529916,0.5562761291206908,0.4691590706599959,0.41460489342745527,0.5004540470152834
EOS-2-01811,Fc1ccc(-c2cc(-c3nnc4cncc(Cc5ccc(Cl)cc5)n34)ccc2Cl)cc1,JVMJJVJRBTVDIX-UHFFFAOYSA-N,2,1,0.415,83,533,449.316,6.495,5,0.315,0.85,1.0,0.5812744157357275,0.8628178329106984,0.9845195668562813,0.9955023644712494,0.8560285449934891
EOS-2-01812,Cc1cc(-c2nnc3cncc(-c4cccc(-c5c(F)cccc5Cl)c4)n23)ccc1Cl,ALLGEBXUUQVBJI-UHFFFAOYSA-N,2,1,0.347,83,405,449.316,6.88,5,0.302,0.86,1.0,0.4418991158933589,0.7565022959358508,0.9866355972859983,0.9953738605989993,0.7951027174285519
EOS-2-01813,Cc1ncc(-c2nc(-c3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)cnc2Cl)cn1,GLIPYRFWCVTLCC-UHFFFAOYSA-N,2,1,0.338,50,155,449.305,4.629,5,0.396,0.8,1.0,0.2971523541909396,0.4432355561647591,0.5714567198958262,0.6496898773216366,0.4903836268932904
EOS-2-01814,Clc1ccc(NCc2cncc3nnc(-c4cnnc(-c5cncc(Cl)c5)c4)n23)cc1,MIRMOEZEPSTUNA-UHFFFAOYSA-N,2,1,0.333,14,291,449.305,4.562,5,0.42,0.65,1.0,0.1302943595367007,0.11154136111301487,0.6865362209581248,0.7841563292440545,0.42813206771297374
EOS-2-01815,Clc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccc(Cl)nc4)n23)cc1,PORNWMAPLCMBNZ-UHFFFAOYSA-N,2,1,0.62,97,232,449.301,5.134,5,0.346,0.73,1.0,0.942130422863409,0.9630080186416284,0.8439534644643959,0.887250702487835,0.909085652114317
EOS-2-01816,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)cc4)n23)c(Cl)c1,QXFVXBLRSMPQMZ-UHFFFAOYSA-N,2,1,0.605,97,232,449.301,5.134,5,0.37,0.82,1.0,0.8838410664108012,0.9537300390651772,0.8909430470838188,0.9164639161126722,0.9112445171681173
EOS-2-01817,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cn1,VKFQBEVXUFYJAT-UHFFFAOYSA-N,2,1,0.542,1,31,449.301,5.134,5,0.346,0.75,1.0,0.5051487218148174,0.6764872181481736,0.8488280446850799,0.8843807826742512,0.7287111918305805
EOS-2-01818,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)c1,QTFBDTAKKWEKEQ-UHFFFAOYSA-N,2,1,0.5,97,801,449.301,5.134,5,0.37,0.77,1.0,0.7796501267904873,0.8070214515797409,0.8639915016105819,0.9065091494757042,0.8392930573641285
EOS-2-01819,Clc1cccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nc2)c1,YJJUFTDQJBJEGZ-UHFFFAOYSA-N,2,1,0.467,1,31,449.301,5.134,5,0.346,0.86,1.0,0.5513501473511069,0.6864162840106915,0.8083750257007745,0.8758823932561168,0.7305059625796725
EOS-2-01820,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)c4)n23)cc1,JSMMSHJCESYURE-UHFFFAOYSA-N,2,1,0.649,43,613,449.301,5.134,5,0.37,0.85,1.0,0.9547066684942773,0.972894249880063,0.8640000685353986,0.9029538756767871,0.9236387156466315
EOS-2-01821,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)nc1,UESZQLSRXDMSOP-UHFFFAOYSA-N,2,1,0.511,1,31,449.301,5.134,5,0.346,0.76,1.0,0.584435610993078,0.7013912685902268,0.8145175107943252,0.8637344938660818,0.741019721060928
EOS-2-01822,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(Cl)ccn5)c4)n23)cc1,ZOHKENGLKSRMHF-UHFFFAOYSA-N,2,1,0.6,97,232,449.301,5.134,5,0.37,0.74,1.0,0.9353796861078747,0.95063737920636,0.8816993352066342,0.9175690494140224,0.9213213624837229
EOS-2-01823,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)cc1Cl,AONUWFOMTJGXAU-UHFFFAOYSA-N,2,1,0.58,1,700,449.301,5.134,5,0.37,0.75,1.0,0.865405044205332,0.9516054417106435,0.8251404975669934,0.8758909601809335,0.8795104859159756
EOS-2-01824,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)c5)cn4)n23)cc1,FDBMSACKJRGYRE-UHFFFAOYSA-N,2,1,0.562,34,929,449.301,5.134,5,0.37,0.78,1.0,0.8179956822698924,0.9620570899869783,0.8309060379686107,0.8939843053937359,0.8762357789048043
EOS-2-01825,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2)nc1,VDWGDCOLFWWKMG-UHFFFAOYSA-N,2,1,0.549,97,666,449.301,5.134,5,0.346,0.78,1.0,0.9432698238640258,0.895346446439586,0.8789407854156672,0.9017802069769035,0.9048343156740457
EOS-2-01826,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)nc1,MACHOGAFAPRBKY-UHFFFAOYSA-N,2,1,0.565,97,666,449.301,5.134,5,0.37,0.69,1.0,0.5256493729011035,0.6962254129257761,0.8375454047015284,0.8859656637653348,0.7363464635734357
EOS-2-01827,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncc(Cl)c5)n4)n23)cc1,AFXMWLSQGLAECN-UHFFFAOYSA-N,2,1,0.56,34,436,449.301,5.134,5,0.37,0.76,1.0,0.8259800561990268,0.9451716811733261,0.832602289082311,0.8843893495990679,0.8720358440134329
EOS-2-01828,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1,DCOTWSBKRVGLTH-UHFFFAOYSA-N,2,1,0.549,97,137,449.301,5.134,5,0.346,0.75,1.0,0.765420464670002,0.8301178808854773,0.90040093208142,0.9291258309917072,0.8562662771571516
EOS-2-01829,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5Cl)n34)cc2)nc1,AXIXHRXNAHLTPB-UHFFFAOYSA-N,2,1,0.55,97,666,449.301,5.134,5,0.37,0.8,1.0,0.9206103077239394,0.8900435199780686,0.8864282777054349,0.9130971146597218,0.9025448050167911
EOS-2-01830,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)cc2)nn1,WQVWGVRWDSZVRA-UHFFFAOYSA-N,2,1,0.562,43,613,449.301,5.134,5,0.37,0.85,1.0,0.9330580494825578,0.9398259200877254,0.8654735796038654,0.9029624426016037,0.9103299979439381
EOS-2-01831,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncc(Cl)c5)c4)n23)cc1,YTUJHSBXYVCSHF-UHFFFAOYSA-N,2,1,0.62,97,232,449.301,5.134,5,0.37,0.78,1.0,0.959846823384278,0.9654238914399287,0.8829072716057844,0.9142793502844219,0.9306143341786033
EOS-2-01832,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)cc1,OVQKLQMSCQFKPC-UHFFFAOYSA-N,2,1,0.592,57,23,449.301,5.134,5,0.37,0.8,1.0,0.7710917688986362,0.9241570145980399,0.8359262559111781,0.8939928723185525,0.8562919779316016
EOS-2-01833,Clc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,HUQJSAAPQKPPEJ-UHFFFAOYSA-N,2,1,0.524,97,332,449.301,5.134,5,0.37,0.8,1.0,0.7739188540881365,0.7987458022068399,0.8764392433692002,0.909918785552738,0.8397556713042287
EOS-2-01834,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccncc5Cl)n34)c2)cn1,ZCJBGAUUECLMDZ-UHFFFAOYSA-N,2,1,0.494,97,91,449.301,5.134,5,0.346,0.8,1.0,0.7298762936056473,0.7777311356315537,0.9015917346309369,0.9248852032074566,0.8335210917688987
EOS-2-01835,COc1cc(Cl)c(Cl)cc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cc3)n12,SNOZRBADIOXDLV-UHFFFAOYSA-N,2,1,0.361,96,558,449.301,5.231,5,0.374,0.82,1.0,0.4676941265163457,0.4969930093893496,0.9182801041738058,0.9240028099513399,0.7017425125077102
EOS-2-01836,Clc1ccc(-c2nnc3cncc(OCc4ccncc4-c4ccc(Cl)cn4)n23)cc1,SKGGOHYXTBMWOZ-UHFFFAOYSA-N,2,1,0.615,97,232,449.301,5.134,5,0.37,0.79,1.0,0.9604807758207115,0.969801590021246,0.8710934822835995,0.907468645055171,0.9272111232951821
EOS-2-01837,COc1cc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)ccc1Cl,ZTBOGOSZFRZKMC-UHFFFAOYSA-N,2,1,0.366,96,680,449.301,5.231,5,0.35,0.81,1.0,0.4948598451099993,0.57509766294291,0.8981906654787197,0.9041875128503872,0.718083921595504
EOS-2-01838,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)cc4)n23)cc1,YPBOHGRPBQLZIO-UHFFFAOYSA-N,2,1,0.725,43,293,449.301,5.134,5,0.37,0.81,1.0,0.972380234391063,0.9698101569460627,0.8439620313892126,0.8830529093276678,0.9173013330135016
EOS-2-01839,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)cn1,UWTXHYXNXYOOQU-UHFFFAOYSA-N,2,1,0.43,96,680,449.301,5.231,5,0.374,0.76,1.0,0.4852049208416147,0.7245905009937633,0.865482146528682,0.8802258241381674,0.7388758481255568
EOS-2-01840,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)cn1,KDCKUYSIPAOACN-UHFFFAOYSA-N,2,1,0.543,1,31,449.301,5.134,5,0.346,0.78,1.0,0.7083047769172778,0.814603180042492,0.8580717565622644,0.8885871427592351,0.8173917140703173
EOS-2-01841,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(Cl)c5)cn4)n23)cc1,QJUHITKSUDJSAF-UHFFFAOYSA-N,2,1,0.623,97,71,449.301,5.134,5,0.37,0.8,1.0,0.8233842779795765,0.9495408128298266,0.877604345144267,0.9131056815845384,0.8909087793845522
EOS-2-01842,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(Cl)c5)c4)n23)cc1,VHIGJBAVVLMWPT-UHFFFAOYSA-N,2,1,0.615,97,91,449.301,5.134,5,0.346,0.78,1.0,0.9570368720444109,0.9585275169625112,0.9037848673840039,0.9279093276677404,0.9368146460146667
EOS-2-01843,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cc4)n23)nc1,MZZXVCZBOMLBGO-UHFFFAOYSA-N,2,1,0.538,57,210,449.301,5.134,5,0.37,0.79,1.0,0.8633404153245151,0.8900520869028853,0.7958844493180728,0.8717874031937496,0.8552660886848058
EOS-2-01844,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cc1,HEEDUYZQYHEIRG-UHFFFAOYSA-N,2,1,0.518,97,560,449.301,5.134,5,0.346,0.83,1.0,0.7236652731135631,0.7013998355150435,0.8697227743129327,0.9074772119799877,0.8005662737303818
EOS-2-01845,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cc1,MKYYSMURXSCHLE-UHFFFAOYSA-N,2,1,0.542,97,137,449.301,5.134,5,0.37,0.71,1.0,0.5675844698786924,0.7649150161058187,0.8751970392707834,0.9187684188883558,0.7816162360359127
EOS-2-01846,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cc1,LUQXYFYKILSXNZ-UHFFFAOYSA-N,2,1,0.549,97,137,449.301,5.134,5,0.37,0.73,1.0,0.6016893975738469,0.7864008635460216,0.872447056404633,0.9131142485093551,0.7934128915084642
EOS-2-01847,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cc1,MMSYCLAWUPMQOX-UHFFFAOYSA-N,2,1,0.512,97,137,449.301,5.134,5,0.346,0.78,1.0,0.5812829826605441,0.7565108628606675,0.855013364402714,0.9017887739017202,0.7736489959564115
EOS-2-01848,Clc1cccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)c1,YCIIRWAUEQYPEN-UHFFFAOYSA-N,2,1,0.517,97,137,449.301,5.134,5,0.346,0.75,1.0,0.5333253375368378,0.6913593996299089,0.8470118566239463,0.8993900349530533,0.7427716571859365
EOS-2-01849,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1,VEPPYFVEEMGIJJ-UHFFFAOYSA-N,2,1,0.671,43,613,449.301,5.134,5,0.37,0.85,1.0,0.9441607840449592,0.9384552121170585,0.8711020492084162,0.9041960797752039,0.9144785312864094
EOS-2-01850,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)c4)n23)cc1,NPCHLHBFZWASHH-UHFFFAOYSA-N,2,1,0.632,97,91,449.301,5.134,5,0.346,0.77,1.0,0.9475275854979097,0.9566427935028442,0.9037934343088205,0.9270783359605236,0.9337605373175245
EOS-2-01851,Clc1ccc(-c2nnc3cncc(OCc4ncc(Cl)c(-c5ccccc5)n4)n23)cc1,UDKRZVKVEWPPJH-UHFFFAOYSA-N,2,1,0.577,57,210,449.301,5.134,5,0.37,0.76,1.0,0.9341117812350079,0.966888835583579,0.689294770749092,0.8131382358988417,0.8508584058666301
EOS-2-01852,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(Cl)c5)nc4)n23)cc1,PDMDICIMLRRUBO-UHFFFAOYSA-N,2,1,0.628,97,232,449.301,5.134,5,0.37,0.8,1.0,0.954715235419094,0.9537386059899938,0.8776129120690837,0.9087022822287711,0.9236922589267356
EOS-2-01853,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1,FCPIQBYPLIBLIK-UHFFFAOYSA-N,2,1,0.5,97,560,449.301,5.134,5,0.346,0.86,1.0,0.6900229593585087,0.7432492632444657,0.8738091974504831,0.9122147214036049,0.8048240353642656
EOS-2-01854,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccc5Cl)n34)cc2)nc1,BRBRTTJVGMUDEG-UHFFFAOYSA-N,2,1,0.537,97,666,449.301,5.134,5,0.37,0.74,1.0,0.9192395997532725,0.8820591460489343,0.885288876704818,0.9131228154341717,0.8999276094852992
EOS-2-01855,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)nc1,IFLIJHLWVXDWEV-UHFFFAOYSA-N,2,1,0.575,97,992,449.301,5.134,5,0.346,0.78,1.0,0.9330666164073744,0.8565554108697142,0.8752056061956001,0.8968627921321363,0.8904226064012063
EOS-2-01856,Clc1ccc(-c2nnc3cncc(-c4cnc(OCc5cccc(Cl)c5)cn4)n23)cc1,XMESWKPYUCSMQK-UHFFFAOYSA-N,2,1,0.531,96,837,449.301,5.134,5,0.37,0.85,1.0,0.678149201562607,0.902028647796587,0.8611644164210814,0.905429716948804,0.83669299568227
EOS-2-01857,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)nc4)n23)cc1,KKILXBMHEMMFQC-UHFFFAOYSA-N,2,1,0.636,97,232,449.301,5.134,5,0.346,0.82,1.0,0.9585532177369611,0.9537471729148105,0.8789493523404839,0.9042046467000205,0.923863597423069
EOS-2-01858,Cc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)c2)cn1,JDOKQFPXNMOARS-UHFFFAOYSA-N,2,1,0.418,13,110,449.301,5.656,5,0.353,0.81,1.0,0.567593036803509,0.59983037488863,0.8752141731204167,0.8940014392433692,0.7341597560139812
EOS-2-01859,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncccc5Cl)n34)c2)nc1,JQYGVEOKQHGUSY-UHFFFAOYSA-N,2,1,0.535,97,666,449.301,5.134,5,0.37,0.78,1.0,0.6159533273935988,0.7108320197381948,0.8083835926255911,0.8702967582756493,0.7513664245082585
EOS-2-01860,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)cn4)n23)cc1,PTXNFXIFWQPQTO-UHFFFAOYSA-N,2,1,0.61,97,744,449.301,5.134,5,0.346,0.79,1.0,0.8308203687204441,0.9506459461311767,0.8803200603111507,0.9074857789048043,0.8923180385168938
EOS-2-01861,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nc5)n4)n23)cc1,PMMISQLQLFFJHD-UHFFFAOYSA-N,2,1,0.554,1,436,449.301,5.134,5,0.346,0.79,1.0,0.8429254334863957,0.9484613803029265,0.8359348228359947,0.8787180453704339,0.8765099204989377
EOS-2-01862,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc(Cl)n1,GXIWPDAJKCMSIU-UHFFFAOYSA-N,2,1,0.538,1,666,449.301,5.134,5,0.346,0.82,1.0,0.8964173120416695,0.8597765746007813,0.8505414296484134,0.8746401891576999,0.8703438763621411
EOS-2-01863,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)nc1,CEMIQLKZQUOSOO-UHFFFAOYSA-N,2,1,0.58,1,666,449.301,5.134,5,0.37,0.74,1.0,0.5731187033102597,0.7108405866630114,0.8342385717222945,0.8787266122952505,0.749231118497704
EOS-2-01864,Clc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)c1,SVYCRCRUVFTSSH-UHFFFAOYSA-N,2,1,0.562,97,91,449.301,5.134,5,0.346,0.76,1.0,0.9192481666780893,0.8535655541086972,0.8971197998766363,0.917577616338839,0.8968777842505655
EOS-2-01865,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)cc1,KJJFGDJAWNKLBE-UHFFFAOYSA-N,2,1,0.549,34,801,449.301,5.134,5,0.37,0.77,1.0,0.6627801384415051,0.8535741210335138,0.8439705983140292,0.8926221643478857,0.8132367555342335
EOS-2-01866,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4Cl)n23)n1,LUNXQBCNAXHYEH-UHFFFAOYSA-N,2,1,0.494,1,31,449.301,5.134,5,0.346,0.73,1.0,0.6242289767664999,0.7386573915427318,0.7208381879240627,0.8085720649715578,0.723074155301213
EOS-2-01867,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cc1,ADOWBKWLPQYUFD-UHFFFAOYSA-N,2,1,0.561,57,418,449.301,5.134,5,0.37,0.77,1.0,0.6213676238777328,0.8367658145432115,0.82514906449181,0.8898636145569186,0.7932865293674183
EOS-2-01868,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ccc4Cl)n23)cc1,RVZRUYMMSGRMPZ-UHFFFAOYSA-N,2,1,0.615,43,433,449.301,5.134,5,0.37,0.8,1.0,0.9245510931396066,0.9729028168048797,0.9004094990062367,0.9319786169556576,0.9324605064765952
EOS-2-01869,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cc1,NFTKSJBSLLMBKP-UHFFFAOYSA-N,2,1,0.625,43,613,449.301,5.134,5,0.37,0.85,1.0,0.8308289356452607,0.882067712973751,0.8626207936399151,0.901797340826537,0.869328695771366
EOS-2-01870,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)nc1,HHHWBVYHUJBYKO-UHFFFAOYSA-N,2,1,0.59,1,22,449.301,5.134,5,0.37,0.75,1.0,0.729884860530464,0.8404238914399287,0.8455126447810294,0.8830614762524844,0.8247207182509766
EOS-2-01871,Cc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)c2)cn1,YUMSIUHMCCPZPC-UHFFFAOYSA-N,2,1,0.483,13,145,449.301,5.656,5,0.353,0.76,1.0,0.647411075320403,0.6913679665547255,0.8611729833458982,0.8830700431773011,0.7707555170995819
EOS-2-01872,COc1ccc(Cl)cc1-c1nnc2cncc(-c3ccc(-c4cnc(Cl)cn4)cc3)n12,KBWYNUKRIJRUEO-UHFFFAOYSA-N,2,1,0.43,96,558,449.301,5.231,5,0.374,0.79,1.0,0.3949181001987527,0.39758241381673637,0.8596737715029813,0.8773644712494003,0.6323846891919677
EOS-2-01873,Cc1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Oc2ccc(Cl)cc2)n1,BOVHTXCXOFHJAP-UHFFFAOYSA-N,2,1,0.459,45,533,449.301,5.656,5,0.353,0.81,1.0,0.5590175450620245,0.7906757590295388,0.8105681584538414,0.8685319717634158,0.7571983585772052
EOS-2-01874,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccc5Cl)nc4)n23)cc1,HBVYDMJKWYOROH-UHFFFAOYSA-N,2,1,0.636,97,232,449.301,5.134,5,0.37,0.79,1.0,0.9475361524227264,0.9566513604276609,0.8251576314166267,0.8787351792200672,0.9020200808717702
EOS-2-01875,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)nc4)n23)cc1,AIALKYGAJBYMHC-UHFFFAOYSA-N,2,1,0.636,1,232,449.301,5.134,5,0.346,0.83,1.0,0.9642245219655953,0.9604722088958947,0.8359433897608115,0.877373038174217,0.9095032896991296
EOS-2-01876,Clc1ccc(-c2ncncc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,QPIRKSAJQPFDTP-UHFFFAOYSA-N,2,1,0.649,57,798,449.301,5.134,5,0.37,0.75,1.0,0.9689877321636625,0.9729113837296964,0.8580803234870811,0.9110924542526215,0.9277679734082653
EOS-2-01877,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2)nc1,ZPNSKVZLESWTJY-UHFFFAOYSA-N,2,1,0.573,1,22,449.301,5.134,5,0.37,0.72,1.0,0.6929956822698924,0.8262370639435268,0.8488366116098965,0.8885957096840518,0.8141662668768419
EOS-2-01878,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)nc1,GSBLKILTSZEAOT-UHFFFAOYSA-N,2,1,0.529,97,992,449.301,5.134,5,0.346,0.74,1.0,0.8077496401891577,0.7432578301692825,0.8670927283942156,0.8926307312727023,0.8276827325063396
EOS-2-01879,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)nc1,XBTZINFVJWRLOY-UHFFFAOYSA-N,2,1,0.529,1,31,449.301,5.134,5,0.346,0.77,1.0,0.8077582071139744,0.8224076485504763,0.8251661983414433,0.8685405386882324,0.8309681481735317
EOS-2-01880,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)c2)nn1,ARUQOUQANSGPEQ-UHFFFAOYSA-N,2,1,0.53,43,613,449.301,5.134,5,0.37,0.77,1.0,0.804956822698924,0.8928534713179357,0.8550219313275307,0.8993986018778699,0.8630577068055652
EOS-2-01881,Clc1ccc(-c2ncccc2-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,OMGAULWKXPKTGI-UHFFFAOYSA-N,2,1,0.593,34,850,449.301,5.134,5,0.37,0.72,0.998,0.629720375573984,0.7987543691316565,0.7935542457679391,0.8668956891234323,0.772231169899253
EOS-2-01882,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c(Cl)c1,ZTVZZVOCWPEQJU-UHFFFAOYSA-N,2,1,0.605,43,293,449.301,5.134,5,0.37,0.81,1.0,0.9206188746487561,0.9259303680350901,0.8711106161332328,0.895449249537386,0.9032772770886163
EOS-2-01883,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cc1,PTPSVLSSBXLSPZ-UHFFFAOYSA-N,2,1,0.494,97,560,449.301,5.134,5,0.37,0.78,1.0,0.5051572887396341,0.6668322938797889,0.8423600164484957,0.9018059077513536,0.729038876704818
EOS-2-01884,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(Cl)c5)n4)n23)cc1,WIUFFCRKTSNFKO-UHFFFAOYSA-N,2,1,0.556,34,929,449.301,5.134,5,0.37,0.85,1.0,0.8049653896237406,0.9595212802412446,0.82517476526626,0.8954578164622027,0.871279812898362
EOS-2-01885,Clc1cccc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c2)c1,GPSJVKHJRKRUQU-UHFFFAOYSA-N,2,1,0.536,1,962,449.301,5.134,5,0.37,0.76,1.0,0.5231478308546365,0.7649235830306353,0.8216537591666095,0.8872592694126517,0.7492461106161332
EOS-2-01886,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)nn4)n23)cc1,LXCIZUFPSBUOBO-UHFFFAOYSA-N,2,1,0.568,57,372,449.301,5.134,5,0.37,0.81,1.0,0.8308375025700775,0.9620656569117949,0.8197005003084092,0.892639298197519,0.8763107394969503
EOS-2-01887,Clc1cncc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c1,JANYPLZDJRGKHP-UHFFFAOYSA-N,2,1,0.512,97,91,449.301,5.134,5,0.346,0.75,1.0,0.7447313412377493,0.7386659584675485,0.8898379137824687,0.9154444520594888,0.8221699163868138
EOS-2-01888,Clc1ccc(-c2ncccc2-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1,CEPKBLOAJWQZEO-UHFFFAOYSA-N,2,1,0.542,97,232,449.301,5.134,5,0.346,0.75,1.0,0.7508052909327668,0.8437906928928792,0.837553971626345,0.8872678363374683,0.8298544479473648
EOS-2-01889,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cc1,LIZSNFRAJYEOAK-UHFFFAOYSA-N,2,1,0.477,1,560,449.301,5.134,5,0.346,0.82,1.0,0.5435371119183058,0.6716726064012062,0.819709067233226,0.8815622644095675,0.7291202624905764
EOS-2-01890,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cc1,WGZLMJDNUJLVAY-UHFFFAOYSA-N,2,1,0.512,97,560,449.301,5.134,5,0.37,0.82,1.0,0.5435456788431224,0.6814389006922075,0.8392245219655953,0.8954663833870194,0.7399188712219862
EOS-2-01891,Clc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1,SIPATBGCMXHSSL-UHFFFAOYSA-N,2,1,0.6,43,613,449.301,5.134,5,0.37,0.8,1.0,0.8152542663285587,0.879617572476184,0.8536769241313138,0.8981649647042698,0.8616784319100815
EOS-2-01892,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cc1,JHFSLANXMGXSGB-UHFFFAOYSA-N,2,1,0.575,97,137,449.301,5.134,5,0.346,0.78,1.0,0.7594064834487012,0.7944966074977726,0.8971283668014529,0.9248937701322734,0.8439813069700501
EOS-2-01893,Brc1ccc(-c2nnc3cncc(OCc4ccc(-n5cncn5)nc4)n23)cc1,MUCPSJYVHGNMMV-UHFFFAOYSA-N,2,1,0.628,16,32,449.272,3.109,5,0.407,0.79,1.0,0.587271263107395,0.5330426290178878,0.43322082105407445,0.4146134603522719,0.4920370433829073
EOS-2-01894,Brc1ccc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)c4)n23)cc1,LVEWZYFDWIFTKU-UHFFFAOYSA-N,2,1,0.658,43,499,449.272,3.313,5,0.439,0.78,1.0,0.887559111781235,0.830126447810294,0.49640189157699954,0.512327804811185,0.6816038139949283
EOS-2-01895,Brc1ccccc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,OOKCTIPVXOFJML-UHFFFAOYSA-N,2,1,0.577,43,909,449.268,4.183,5,0.398,0.76,1.0,0.8741433075183332,0.8262456308683435,0.6422195188815023,0.617598176958399,0.7400516585566446
EOS-2-01896,Brc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cc1,SDCCUNGDUMJCIV-UHFFFAOYSA-N,2,1,0.714,43,909,449.268,4.183,5,0.398,0.76,1.0,0.9206274415735728,0.8739634020971832,0.6647419642245219,0.6411058186553354,0.7751096566376533
EOS-2-01897,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Br)c(F)c4)n23)cc1F,VUMSWTYTSRFMAO-UHFFFAOYSA-N,2,1,0.889,23,86,449.23,4.593,4,0.447,0.8,1.0,0.997318552532383,0.9946970735384826,0.9797392228085806,0.9811099307792475,0.9882161949146735
EOS-2-01899,Cn1nc(-c2ccc(-c3nnc4cncc(Oc5cnc(Cl)c(F)c5)n34)cn2)ccc1=O,GCPJEHDPRYPKCJ-UHFFFAOYSA-N,2,1,0.4,13,374,450.821,2.927,5,0.384,0.59,0.354,0.497472757179083,0.5562846960455075,0.4514512370639435,0.4713864711123295,0.49414879035021586
EOS-2-01900,OCc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)nn2)cnc1F,FUEBSSMSDFXTDL-UHFFFAOYSA-N,2,1,0.34,54,411,450.821,3.115,5,0.402,0.65,0.882,0.7826399835515043,0.6668408608046056,0.6183434994174491,0.6233465835103831,0.6727927318209854
EOS-2-01901,Cn1ncc(-c2cc(F)cc(-c3nnc4cncc(Oc5ccnc(Cl)n5)n34)c2)cc1=O,ZLHOSNIUGBMFDA-UHFFFAOYSA-N,2,1,0.383,13,605,450.821,2.927,5,0.384,0.66,1.0,0.49748132410389967,0.44785312864094307,0.5243300664793366,0.522102666027003,0.49794179631279556
EOS-2-01902,COc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ncn2)cn1,VRUMEPKACOFSOE-UHFFFAOYSA-N,2,1,0.506,46,971,450.821,3.632,5,0.396,0.7,0.999,0.8049739565485573,0.6620605167569049,0.5807689671715441,0.5555308066616408,0.6508335617846618
EOS-2-01903,Cn1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)nc2F)ccc1=O,LCGGZCARMBTCSW-UHFFFAOYSA-N,2,1,0.34,13,223,450.821,2.927,5,0.384,0.62,0.995,0.49258961003358237,0.5059368788979508,0.4042731820985539,0.4367675279281749,0.45989179973956545
EOS-2-01904,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2F)n[nH]1,IICNNNXKUJIBRY-UHFFFAOYSA-N,2,1,0.421,4,210,450.821,2.703,5,0.405,0.58,0.999,0.7654290315948187,0.6570917003632376,0.4964104585018162,0.5426118840381057,0.6153857686244946
EOS-2-01905,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ncn2)cn1,RDJOUEWSOULVRV-UHFFFAOYSA-N,2,1,0.34,51,113,450.825,2.508,5,0.368,0.62,0.984,0.6159618943184154,0.580357754780344,0.19969501747652663,0.2056918648481941,0.40042663285587005
EOS-2-01906,Cc1nc(-c2cnc(F)cn2)cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)n1,ASJWTBJWDFZYIT-UHFFFAOYSA-N,2,1,0.343,51,330,450.825,2.508,5,0.368,0.65,0.998,0.5617846617778083,0.5470238503186896,0.12695325885820027,0.15614933863340416,0.34797777739702557
EOS-2-01907,Fc1ncncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ncn1,PUDKSHQARSBMQD-UHFFFAOYSA-N,2,1,0.386,31,194,450.825,2.242,5,0.355,0.61,0.339,0.6297289424988006,0.5856778150914947,0.19621684600095948,0.2492803783153999,0.41522599547666367
EOS-2-01908,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ncn2)cn1,WRROWLPMKAIHRF-UHFFFAOYSA-N,2,1,0.34,7,296,450.825,2.508,5,0.368,0.63,0.92,0.6074463710506477,0.5377715715166884,0.169924953738606,0.18583373312315812,0.37524415735727507
EOS-2-01909,N=c1cnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)c(F)c4)n23)n[nH]1,SLEBCEMNBLVALB-UHFFFAOYSA-N,2,1,0.455,51,716,450.825,2.217,5,0.388,0.7,1.0,0.7052292509080941,0.5904667260640121,0.39326468370913575,0.3987646494414365,0.5219313275306696
EOS-2-01910,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)nn1,VWODDZPFRMTXGV-UHFFFAOYSA-N,2,1,0.684,43,613,450.836,4.759,5,0.384,0.69,1.0,0.9501918991158934,0.9548094715920773,0.9330837502570077,0.9379840312521417,0.9440172880542801
EOS-2-01911,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5F)cc4)n23)cc1Cl,IGYIQQAMXSKAGF-UHFFFAOYSA-N,2,1,0.716,59,96,450.836,4.759,5,0.359,0.76,1.0,0.9823007333287643,0.9718662189020629,0.9570111712699609,0.9563086834349942,0.9668717017339457
EOS-2-01912,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1F,CCGPATDIXJOGIX-UHFFFAOYSA-N,2,1,0.529,43,613,450.836,4.759,5,0.384,0.74,1.0,0.8964258789664862,0.9340689466109245,0.9273439106298403,0.9336148995956411,0.922863408950723
EOS-2-01913,Fc1cnc(Cl)c(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)c1,CASRUSQGPRIIGH-UHFFFAOYSA-N,2,1,0.483,97,91,450.836,4.759,5,0.359,0.7,1.0,0.944169350969776,0.939834487012542,0.9283548077582071,0.9379925981769583,0.9375878109793709
EOS-2-01914,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2F)cn1,FIZZUIZCKDYZPR-UHFFFAOYSA-N,2,1,0.584,97,111,450.836,4.759,5,0.359,0.73,1.0,0.9530960866287438,0.9308563498046741,0.9453858542937427,0.9462425467754095,0.9438952093756425
EOS-2-01915,COc1nc(-c2ccc(F)c(F)n2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,XOFSOSKFDPVTDS-UHFFFAOYSA-N,2,1,0.419,96,533,450.836,4.856,5,0.364,0.78,1.0,0.7536580768967172,0.9020372147214036,0.8671012953190322,0.8685491056130491,0.8478364231375506
EOS-2-01916,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)nc1F,AXYFQSDQUYZRLH-UHFFFAOYSA-N,2,1,0.523,97,992,450.836,4.759,5,0.359,0.78,1.0,0.904478788294154,0.890060653827702,0.9212271263107394,0.9187769858131725,0.9086358885614421
EOS-2-01917,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(Cl)c(F)c5)n4)n23)cc1,LDJHAWQHCKAERT-UHFFFAOYSA-N,2,1,0.547,34,436,450.836,4.759,5,0.359,0.8,1.0,0.915127475841272,0.9557518333219107,0.902671167157837,0.9131313823589884,0.921670464670002
EOS-2-01918,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c(F)c2)cn1,UEZVVQXMILJYSC-UHFFFAOYSA-N,2,1,0.538,97,992,450.836,4.759,5,0.359,0.72,1.0,0.9330751833321911,0.9384637790418752,0.9414536358028922,0.9430642176684257,0.939014203961346
EOS-2-01919,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)cnc1F,WCFFXNXCYKZIDO-UHFFFAOYSA-N,2,1,0.562,97,992,450.836,4.759,5,0.359,0.74,1.0,0.9570454389692276,0.9370502364471249,0.9434582962099924,0.9397145500651086,0.9443171304228634
EOS-2-01920,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1F,YFUNBXHLHMKJGA-UHFFFAOYSA-N,2,1,0.736,43,613,450.836,4.759,5,0.384,0.78,1.0,0.9820180248098143,0.9790624357480638,0.9364762524844082,0.9406140771708588,0.9595426975532863
EOS-2-01921,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)n1,YMUHFWJEFIDVAH-UHFFFAOYSA-N,2,1,0.541,34,232,450.836,4.759,5,0.359,0.69,1.0,0.9570540058940443,0.9766979644986635,0.9038020012336372,0.9187855527379891,0.9390848810910837
EOS-2-01922,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(F)cn5)n34)ccc2Cl)cc1,VOLQBTHTPYQKMC-UHFFFAOYSA-N,2,1,0.571,34,210,450.836,4.759,5,0.384,0.75,1.0,0.9562829826605441,0.9777174285518471,0.8946096909053526,0.9240113768761565,0.9381553697484751
EOS-2-01923,Fc1cccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1F,HGUADQHEFSXNHL-UHFFFAOYSA-N,2,1,0.568,34,210,450.836,4.759,5,0.384,0.84,1.0,0.9762524844081968,0.9851620862175313,0.8852974436296347,0.913139949283805,0.939962990884792
EOS-2-01924,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cc1,DNADGSFRCSQQEZ-UHFFFAOYSA-N,2,1,0.488,59,560,450.836,4.759,5,0.359,0.78,1.0,0.8563069700500309,0.8146117469673086,0.9239856761017066,0.9354567884312247,0.8825902953875677
EOS-2-01925,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cc1F,YZRLDPVGTRFAPJ-UHFFFAOYSA-N,2,1,0.488,59,153,450.836,4.759,5,0.359,0.75,1.0,0.8259886231238435,0.7906843259543554,0.9364848194092249,0.9430727845932424,0.8740576382701666
EOS-2-01926,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)nn1,NBMNRRTWWXLBDM-UHFFFAOYSA-N,2,1,0.518,43,613,450.836,4.759,5,0.384,0.73,1.0,0.8856486875471181,0.9325440339935577,0.9164896168871222,0.9312332944966075,0.9164789082311013
EOS-2-01927,Fc1cncc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)c1-c1cccnc1F,OQUJZICYHFCLOU-UHFFFAOYSA-N,2,1,0.529,97,89,450.836,4.759,5,0.359,0.71,0.981,0.8910972517305188,0.9044445205948872,0.9182886710986224,0.9302566650675074,0.9110217771228839
EOS-2-01928,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)c2)cn1,LVBCJXXPTYUPHF-UHFFFAOYSA-N,2,1,0.494,59,671,450.836,4.759,5,0.359,0.71,1.0,0.872087245562333,0.8975738468919197,0.9315759714892742,0.9406226440956754,0.9104649270098005
EOS-2-01929,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cc1F,NNEHXOKUVPTNBV-UHFFFAOYSA-N,2,1,0.684,43,613,450.836,4.759,5,0.384,0.77,1.0,0.9493352066342265,0.9516140086354602,0.9322870262490577,0.9380011651017751,0.9428093516551299
EOS-2-01930,Fc1ccccc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncc1F,LUNGISOUUIRXKP-UHFFFAOYSA-N,2,1,0.57,34,210,450.836,4.759,5,0.384,0.79,1.0,0.9716948804057296,0.9831402919607978,0.8291326845315605,0.8843979165238846,0.9170914433554932
EOS-2-01931,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)cc1,MWRUQAKUBWHEHT-UHFFFAOYSA-N,2,1,0.514,9,558,450.836,5.17,5,0.344,0.82,1.0,0.5785501336440272,0.822416215475293,0.9519738194777603,0.9483842779795765,0.8253311116441643
EOS-2-01932,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)nc4)n23)ccn1,YMGQOWBCXBTXGI-UHFFFAOYSA-N,2,1,0.518,59,801,450.836,4.759,5,0.359,0.74,1.0,0.9421389897882256,0.9495493797546433,0.9414622027277089,0.9437238708793092,0.9442186107874717
EOS-2-01933,COc1ncc(-c2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)cc1F,FACRSQFPNJDXCT-UHFFFAOYSA-N,2,1,0.347,45,102,450.836,4.856,5,0.389,0.77,1.0,0.5757573161537934,0.7520646288808169,0.9182972380234391,0.9122232883284216,0.7895856178466177
EOS-2-01934,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)cc1,JGXNLTYKLIUZJP-UHFFFAOYSA-N,2,1,0.592,34,210,450.836,4.759,5,0.384,0.79,1.0,0.9736395723391131,0.985170653142348,0.845521211705846,0.8954749503118361,0.9249515968747858
EOS-2-01935,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)c1,LGPNFWXMHQRXSY-UHFFFAOYSA-N,2,1,0.556,34,210,450.836,4.759,5,0.384,0.79,1.0,0.9695531492015627,0.9848622438489479,0.8359519566856282,0.8886042766088684,0.9197429065862517
EOS-2-01936,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)nc1,YDTPBPRBFALSOC-UHFFFAOYSA-N,2,1,0.549,34,929,450.836,4.759,5,0.384,0.71,1.0,0.9523593310945103,0.9777259954766637,0.9107497772599548,0.9270869028853402,0.9419805016791173
EOS-2-01937,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cc1F,BSNQJAHCDIQMAC-UHFFFAOYSA-N,2,1,0.467,59,153,450.836,4.759,5,0.359,0.76,1.0,0.6719724487697896,0.7520731958056336,0.909841683229388,0.92490233705709,0.8146974162154753
EOS-2-01938,Fc1cccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cn5)c(F)cn4)n23)c1,VEWKVARHZNRUKX-UHFFFAOYSA-N,2,1,0.571,59,71,450.836,4.759,5,0.384,0.7,1.0,0.762636214104585,0.8768932903844836,0.9026797340826537,0.9208244808443561,0.8657584298540196
EOS-2-01939,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)nc1,COIZRVKUHBQXIT-UHFFFAOYSA-N,2,1,0.537,59,89,450.836,4.759,5,0.384,0.71,1.0,0.9647556713042287,0.9384723459666918,0.9292029333150572,0.9388321568089918,0.9428157768487424
EOS-2-01940,OCc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cc4)n23)c(Cl)cc1F,ROPUCONPEPXZCZ-UHFFFAOYSA-N,2,1,0.342,96,558,450.836,4.339,5,0.438,0.75,0.994,0.4284147762319238,0.6232523473373998,0.9460283736549928,0.9510485915975602,0.7371860222054691
EOS-2-01941,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cn1,BRIAPAWZCTYLAT-UHFFFAOYSA-N,2,1,0.345,96,558,450.836,5.17,5,0.344,0.83,1.0,0.6159704612432322,0.7520817627304502,0.9575680213830443,0.9556575971489274,0.8203194606264135
EOS-2-01942,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cncnc4)c(F)c3)n12,VZVSUYFHPJXQND-UHFFFAOYSA-N,2,1,0.556,59,817,450.836,4.759,5,0.384,0.69,1.0,0.9604893427455281,0.9527191419368104,0.9595726817901447,0.9646871359056953,0.9593670755945446
EOS-2-01943,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cc1F,GBXCDEGTRIRVAP-UHFFFAOYSA-N,2,1,0.5,59,560,450.836,4.759,5,0.384,0.72,1.0,0.6719810156946062,0.7735590432458365,0.9200962922349394,0.9346172297991913,0.8250633952436432
EOS-2-01944,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)c(F)c1,XRNCLPYFEFFIDH-UHFFFAOYSA-N,2,1,0.478,59,560,450.836,4.759,5,0.359,0.73,1.0,0.6502895620588034,0.7692498800630526,0.8991929956822698,0.9197022136933726,0.8096086628743746
EOS-2-01945,Fc1ccc(F)c(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)c1,GKBFUUNLOMZVFL-UHFFFAOYSA-N,2,1,0.483,59,560,450.836,4.759,5,0.359,0.74,1.0,0.6213761908025495,0.6962339798505929,0.9004180659310533,0.9219381810705229,0.7849916044136797
EOS-2-01946,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccccc5F)ncn4)n23)cc1Cl,IYVFTYYJCXBEEV-UHFFFAOYSA-N,2,1,0.58,44,488,450.836,4.759,5,0.384,0.74,0.982,0.9044873552189706,0.8653879103556987,0.9283633746830238,0.9445976972106093,0.9107090843670755
EOS-2-01947,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnc5)n4)n23)ccc1Cl,ACKCNMKZMBWVCN-UHFFFAOYSA-N,2,1,0.585,59,71,450.836,4.759,5,0.384,0.74,1.0,0.8800459187170173,0.9654324583647453,0.9059522993626208,0.9175861832636557,0.9172542149270098
EOS-2-01948,Fc1cc(F)cc(-c2nnc3cncc(OCc4cccc(-c5cncc(Cl)c5)n4)n23)c1,ADIFTKBPXSMLME-UHFFFAOYSA-N,2,1,0.667,59,439,450.836,4.759,5,0.384,0.73,1.0,0.6186090740867658,0.8107309300253581,0.8971369337262696,0.9164724830374888,0.8107373552189705
EOS-2-01949,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)c(F)c1,QLVOZDMQUYAHHS-UHFFFAOYSA-N,2,1,0.449,59,560,450.836,4.759,5,0.384,0.75,1.0,0.7112432321293949,0.764932149955452,0.8886214104585018,0.9175947501884724,0.8205978856829553
EOS-2-01950,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)cn1,RTQJIPDTMOGTLH-UHFFFAOYSA-N,2,1,0.684,59,294,450.836,4.759,5,0.359,0.78,1.0,0.9578250291275444,0.9425502021794256,0.9453944212185594,0.9462511137002262,0.9480051915564389
EOS-2-01951,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)nn1,JFOBOMYFGKCTDK-UHFFFAOYSA-N,2,1,0.736,43,613,450.836,4.759,5,0.384,0.71,1.0,0.9817353162908642,0.9794565142896305,0.937281543417175,0.9406312110204921,0.9597761462545404
EOS-2-01952,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1,JBDSBKCHGZWJJR-UHFFFAOYSA-N,2,1,0.568,43,613,450.836,4.759,5,0.384,0.74,1.0,0.9709324240970462,0.9637276403262285,0.9299910903981906,0.9380097320265918,0.9506652217120143
EOS-2-01953,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)ccn1,BRJKYCXHZIDCHZ-UHFFFAOYSA-N,2,1,0.541,97,71,450.836,4.759,5,0.359,0.71,1.0,0.9330837502570077,0.9772376807621136,0.9339490096634911,0.9414365019532589,0.9464267356589678
EOS-2-01954,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)c1,CFYQCFIGEIAWTM-UHFFFAOYSA-N,2,1,0.512,59,577,450.836,4.759,5,0.384,0.69,1.0,0.9029367418271538,0.8953550133644027,0.9379497635528751,0.9469793023096429,0.9208052052635186
EOS-2-01955,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccncc5)n4)n23)cc1Cl,UEXSPWFDUDJEFS-UHFFFAOYSA-N,2,1,0.561,59,71,450.836,4.759,5,0.384,0.68,1.0,0.8586971420738811,0.935628126927558,0.9125916660955383,0.9229148104996231,0.9074579363991501
EOS-2-01956,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5cnc(Cl)c(F)c5)n34)nc2)c1,GIRYLXGJXVGTBQ-UHFFFAOYSA-N,2,1,0.566,97,71,450.836,4.759,5,0.359,0.83,1.0,0.7711003358234528,0.9241655815228565,0.9164981838119388,0.930265231992324,0.885507333287643
EOS-2-01957,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)cc1F,AYEYBFAIKZQXJT-UHFFFAOYSA-N,2,1,0.55,57,80,450.836,4.759,5,0.384,0.67,1.0,0.9091477623192379,0.9604807758207115,0.9183058049482558,0.9336234665204578,0.9303894524021656
EOS-2-01958,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccncc5)c(F)n4)n23)ccc1Cl,PMLPTTPEOHSFKJ-UHFFFAOYSA-N,2,1,0.595,59,153,450.836,4.759,5,0.359,0.73,1.0,0.9012747584127202,0.884749160441368,0.9322955931738743,0.9380182989514084,0.9140844527448427
EOS-2-01959,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)cn1,ZGWAHMYLNVPWMR-UHFFFAOYSA-N,2,1,0.684,59,294,450.836,4.759,5,0.359,0.77,1.0,0.957062572818861,0.9412994311561922,0.9454029881433761,0.9469878692344595,0.9476882153382222
EOS-2-01960,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)ccn1,MCTLAHJGXGOUDR-UHFFFAOYSA-N,2,1,0.633,59,294,450.836,4.759,5,0.359,0.75,1.0,0.9341203481598246,0.9462682475498595,0.9441008155712426,0.945428688917826,0.9424795250496882
EOS-2-01961,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)c1,CXDPMCNXVJYUCG-UHFFFAOYSA-N,2,1,0.662,59,577,450.836,4.759,5,0.384,0.76,1.0,0.9578335960523611,0.9241741484476732,0.9441093824960592,0.9491553012130766,0.9438181070522925
EOS-2-01962,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)c2)cc1,LUYLPTLWCAUAHP-UHFFFAOYSA-N,2,1,0.466,59,560,450.836,4.759,5,0.384,0.78,1.0,0.7207353848262628,0.7692584469878693,0.9165067507367556,0.9346257967240079,0.8352815948187238
EOS-2-01963,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1F,UROLLPWTKQGDJC-UHFFFAOYSA-N,2,1,0.561,43,613,450.836,4.759,5,0.384,0.8,1.0,0.9709409910218628,0.967582756493729,0.932304160098691,0.9362963470632581,0.9517810636693852
EOS-2-01964,Fc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,PZLQDLPWVLWZHE-UHFFFAOYSA-N,2,1,0.55,43,613,450.836,4.759,5,0.384,0.78,1.0,0.969981495442396,0.9612003975053115,0.9212356932355562,0.9312418614214242,0.9459148619011719
EOS-2-01965,Fc1ccc(-c2ccnnc2COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,FXGUPQUMPUDHPK-UHFFFAOYSA-N,2,1,0.549,34,146,450.836,4.759,5,0.384,0.68,1.0,0.8383078610102118,0.9675913234185457,0.9079398259200877,0.9354653553560414,0.9123260914262217
EOS-2-01966,Fc1ccc(-c2ccnnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,PSLZDLNQGVAFRO-UHFFFAOYSA-N,2,1,0.603,34,372,450.836,4.759,5,0.384,0.71,1.0,0.9297340826536906,0.9848708107737647,0.9248937701322734,0.9437324378041259,0.9458077753409637
EOS-2-01967,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1,RSCSZNIZXDJOQT-UHFFFAOYSA-N,2,1,0.529,43,613,450.836,4.759,5,0.384,0.77,1.0,0.9029453087519704,0.9223322596120896,0.92490233705709,0.935473922280858,0.921413456925502
EOS-2-01968,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nc5)cn4)n23)cc1,CTRJGIWWAMOEKP-UHFFFAOYSA-N,2,1,0.549,96,680,450.836,5.17,5,0.344,0.84,1.0,0.5488486053046399,0.7864094304708382,0.9595812487149613,0.958116304571311,0.8132388972654376
EOS-2-01969,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)c(F)cn4)n23)n1,MXZVYBLUZGAVLV-UHFFFAOYSA-N,2,1,0.446,34,560,450.836,4.759,5,0.359,0.82,1.0,0.744739908162566,0.8184497292851758,0.8957662257556027,0.9197107806181893,0.8446666609553835
EOS-2-01970,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cccnc1F,BYUWOPLGPSLOAF-UHFFFAOYSA-N,2,1,0.578,34,929,450.836,4.759,5,0.359,0.8,1.0,0.8911058186553354,0.9736138715646632,0.8789579192653005,0.8981735316290864,0.9104627852785964
EOS-2-01971,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)nn1,SXXNRVGBGJLIQG-UHFFFAOYSA-N,2,1,0.736,43,613,450.836,4.759,5,0.384,0.72,1.0,0.9811356315536974,0.9786083887327804,0.9372901103419916,0.9414450688780756,0.9596197998766363
EOS-2-01972,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)cn2)c1,QKSFNUTWWSEGDR-UHFFFAOYSA-N,2,1,0.512,34,671,450.836,4.759,5,0.384,0.69,1.0,0.7683760537317524,0.8928620382427523,0.8776214789939003,0.9122318552532382,0.8627728565554109
EOS-2-01973,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,MFMSJBVFKDGJGU-UHFFFAOYSA-N,2,1,0.5,59,109,450.836,4.759,5,0.359,0.75,1.0,0.8676495785072991,0.9150075388938387,0.9372986772668083,0.9380268658762251,0.9144956651360427
EOS-2-01974,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)ccc1Cl,SSBMXCZVDRWLTP-UHFFFAOYSA-N,2,1,0.61,19,691,450.836,4.759,5,0.384,0.8,1.0,0.9151360427660887,0.892870605167569,0.9134654924268385,0.9388407237338086,0.9150782160235762
EOS-2-01975,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cn1,ZKYPIOOEPRBLMV-UHFFFAOYSA-N,2,1,0.561,34,929,450.836,4.759,5,0.359,0.79,1.0,0.9177917894592557,0.9767065314234802,0.8957747926804195,0.9131485162086218,0.9258554074429443
EOS-2-01976,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)cc1Cl,UDLLVCOJWAYQPU-UHFFFAOYSA-N,2,1,0.61,19,691,450.836,4.759,5,0.384,0.78,1.0,0.9136710986224384,0.8928791720923858,0.9134740593516552,0.9388492906586252,0.9147184051812762
EOS-2-01977,Fc1cc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5ccccn5)n34)c2)cnc1F,KAFQNQNTUGNBOR-UHFFFAOYSA-N,2,1,0.622,59,71,450.836,4.759,5,0.359,0.77,0.994,0.7052378178329107,0.8367743814680282,0.920104859159756,0.9240199438009732,0.8465342505654171
EOS-2-01978,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1F,HGZYPFCBNJJSHR-UHFFFAOYSA-N,2,1,0.714,34,293,450.836,4.759,5,0.384,0.76,1.0,0.9895911863477486,0.9899509971900486,0.9183143718730724,0.9319871838804743,0.957460934822836
EOS-2-01979,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)c2)cn1,FPZLEKMCUWWEAC-UHFFFAOYSA-N,2,1,0.535,97,962,450.836,4.759,5,0.359,0.72,1.0,0.6750908094030567,0.8146203138921253,0.9323127270235076,0.9363049139880748,0.8395821910766911
EOS-2-01980,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)nc2)cc1,XPTJUWKNINTZQZ-UHFFFAOYSA-N,2,1,0.449,59,469,450.836,4.759,5,0.384,0.8,1.0,0.7769258446987869,0.814628880816942,0.9165153176615722,0.9328010417380577,0.8602177712288397
EOS-2-01981,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)c1,PKMWWVQVXFHGQP-UHFFFAOYSA-N,2,1,0.467,59,560,450.836,4.759,5,0.384,0.74,1.0,0.6297375094236173,0.6962425467754095,0.8829158385306011,0.9142879172092385,0.7807959529847166
EOS-2-01982,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)ccn1,NNRJHHZUQJSTGD-UHFFFAOYSA-N,2,1,0.537,97,91,450.836,4.759,5,0.359,0.69,1.0,0.9091563292440545,0.9595298471660613,0.9482643410321431,0.9510571585223768,0.9420019189911588
EOS-2-01983,Fc1ccc(COc2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c(F)c1,OZXSNQLBHUIFRA-UHFFFAOYSA-N,2,1,0.425,45,46,450.836,4.759,5,0.384,0.8,1.0,0.7417243506270988,0.9088479199506545,0.9249109039819067,0.9328096086628743,0.8770731958056337
EOS-2-01984,Fc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5Cl)n34)cc2)c1,CKXBNVDJMILXQS-UHFFFAOYSA-N,2,1,0.554,43,178,450.836,4.759,5,0.384,0.54,1.0,0.952367898019327,0.9566599273524775,0.940065793982592,0.9491638681378932,0.9495643718730724
EOS-2-01985,Fc1cccc(COc2cncc3nnc(-c4cnnc(-c5ccc(Cl)cc5)c4)n23)c1F,WCXZOFSEURYPNL-UHFFFAOYSA-N,2,1,0.548,34,146,450.836,4.759,5,0.384,0.57,1.0,0.8698255774107326,0.9474076485504763,0.9414707696525255,0.954920841614694,0.928406209307107
EOS-2-01986,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cnn2)cc1,YIRPHSQWIKARHR-UHFFFAOYSA-N,2,1,0.716,34,96,450.836,4.759,5,0.384,0.58,1.0,0.9232060859433897,0.952727708861627,0.9454115550681927,0.957550887533411,0.9447240593516552
EOS-2-01987,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cc1F,DJFIPCOYMXTQLA-UHFFFAOYSA-N,2,1,0.494,59,560,450.836,4.759,5,0.384,0.7,1.0,0.6297460763484339,0.7520903296552669,0.922220889589473,0.9380354328010417,0.8105231820985539
EOS-2-01988,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cc1F,RKQFBIFWGHSQAL-UHFFFAOYSA-N,2,1,0.635,34,210,450.836,4.759,5,0.384,0.73,1.0,0.9748475087382633,0.9880919745048318,0.9165238845863889,0.9346343636488246,0.9535244328695771
EOS-2-01989,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ccccc5F)cn4)n23)ccc1Cl,AWDLLCHTLAVQLQ-UHFFFAOYSA-N,2,1,0.57,59,210,450.836,4.759,5,0.384,0.81,1.0,0.9630936878897951,0.9814868754711809,0.9079483928449044,0.9302737989171407,0.9457006887807552
EOS-2-01990,Fc1ccccc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,VFCVYVJSWPPUFY-UHFFFAOYSA-N,2,1,0.562,34,210,450.836,4.759,5,0.384,0.74,1.0,0.8981478308546365,0.9718747858268796,0.8909516140086354,0.9219467479953396,0.9207302446713728
EOS-2-01991,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)c5)cn4)n23)c(F)c1,OQODQMWRUODPAC-UHFFFAOYSA-N,2,1,0.549,34,210,450.836,4.759,5,0.384,0.82,1.0,0.894832430950586,0.9557604002467275,0.8922452196559523,0.9229233774244398,0.9164403570694263
EOS-2-01992,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5cc(Cl)ccc5F)n34)c(F)c2)nn1,PYYJFPSRERYLLH-UHFFFAOYSA-N,2,1,0.438,34,145,450.836,5.281,5,0.37,0.78,1.0,0.7142930573641286,0.862826399835515,0.9192310328284559,0.9260588719073402,0.85560234048386
EOS-2-01993,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cnn2)cc1,LLGBUVKSOHBZLI-UHFFFAOYSA-N,2,1,0.542,34,146,450.836,4.759,5,0.384,0.54,1.0,0.8405523953121787,0.9340775135357412,0.9393975738468919,0.955666164073744,0.9174234116921389
EOS-2-01994,Fc1ccc(COc2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1F,JHDMHDKVVNEOPI-UHFFFAOYSA-N,2,1,0.57,45,46,450.836,4.759,5,0.384,0.73,1.0,0.8207370982112261,0.9259389349599068,0.9323212939483243,0.9354824892056748,0.903619954081283
EOS-2-01995,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cc1F,AVVCPEOXQCZZEI-UHFFFAOYSA-N,2,1,0.466,59,560,450.836,4.759,5,0.384,0.75,1.0,0.7207439517510794,0.7864179973956549,0.9174148447673223,0.9346429305736413,0.8398049311219244
EOS-2-01996,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1F,GKHJJYSEFFOAEH-UHFFFAOYSA-N,2,1,0.645,43,613,450.836,4.759,5,0.384,0.78,1.0,0.978077239394147,0.9790710026728805,0.9359536700705915,0.9406397779453087,0.9584354225207319
EOS-2-01997,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ccn4)n23)ccn1,BFSRYDMDZOIMHH-UHFFFAOYSA-N,2,1,0.471,59,153,450.836,4.759,5,0.359,0.78,1.0,0.8308460694948941,0.8262541977931601,0.9394061407717086,0.9446062641354259,0.8852781680487971
EOS-2-01998,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)ncn2)cc1,PJKKUQZEIPOLDM-UHFFFAOYSA-N,2,1,0.488,44,488,450.836,4.759,5,0.384,0.74,0.992,0.8676581454321157,0.8714532931258995,0.927352477554657,0.9469964361592763,0.9033650880679871
EOS-2-01999,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cc1F,RJJCYHIXSVVMQD-UHFFFAOYSA-N,2,1,0.603,34,372,450.836,4.759,5,0.384,0.73,1.0,0.9555719279007607,0.9845367007059146,0.9145020903296552,0.9354910561304914,0.9475254437667056
EOS-2-02000,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)cc1Cl,AHVOXLLTBRMTJJ-UHFFFAOYSA-N,2,1,0.726,59,13,450.836,4.759,5,0.384,0.75,1.0,0.9792851757932972,0.9718833527516962,0.9650212459735453,0.967685559591529,0.970968833527517
EOS-2-02001,COc1cc(-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)nc4F)n23)ccc1Cl,OCDPAZGTYCLJJE-UHFFFAOYSA-N,2,1,0.357,96,46,450.836,4.856,5,0.364,0.77,1.0,0.6355715852237681,0.7520988965800837,0.9283719416078404,0.9260674388321568,0.8105274655609622
EOS-2-02002,FC(F)Oc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,UDLIYZKQXCGNRJ-UHFFFAOYSA-N,2,1,0.407,96,46,450.836,5.17,5,0.367,0.84,1.0,0.6474196422452196,0.8975824138167363,0.9519823864025769,0.9517853471317935,0.8621924473990816
EOS-2-02003,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccnn5)n34)ccc2Cl)cc1F,JFGNSCHJXWVZGF-UHFFFAOYSA-N,2,1,0.536,34,80,450.836,4.759,5,0.384,0.73,1.0,0.9151446096909054,0.976715098348297,0.9373072441916249,0.9498492221232266,0.9447540435885136
EOS-2-02004,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cc1F,CGXKVMWAGRKPTR-UHFFFAOYSA-N,2,1,0.548,57,80,450.836,4.759,5,0.384,0.66,1.0,0.7711089027482695,0.897590980741553,0.912600233020355,0.9312504283462408,0.8781376362141045
EOS-2-02005,Fc1cccc(F)c1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,PMYAQBQBGRTCHE-UHFFFAOYSA-N,2,1,0.542,57,418,450.836,4.759,5,0.384,0.67,1.0,0.7478497018710164,0.8874220409841683,0.8933760537317524,0.9187941196628059,0.8618604790624358
EOS-2-02006,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)cc1F,WQPJOPKPCZZVIZ-UHFFFAOYSA-N,2,1,0.566,57,80,450.836,4.759,5,0.384,0.69,1.0,0.9659721746281955,0.9604893427455281,0.9026883010074703,0.9208330477691727,0.9374957165375917
EOS-2-02007,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)c2)nc1,AEOIXIXCTVGQCN-UHFFFAOYSA-N,2,1,0.571,59,671,450.836,4.759,5,0.384,0.78,1.0,0.9044959221437873,0.9259475018847234,0.8789664861901172,0.8994071688026866,0.9022042697553286
EOS-2-02008,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1F,YBXGNZQJSHKJMM-UHFFFAOYSA-N,2,1,0.575,34,372,450.836,4.759,5,0.384,0.79,1.0,0.9484356795284764,0.9804074429442807,0.907057432663971,0.9312589952710575,0.9417898876019464
EOS-2-02009,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cn1,NYKDDXJMAIGTAD-UHFFFAOYSA-N,2,1,0.671,34,232,450.836,4.759,5,0.384,0.75,1.0,0.9836714412994312,0.9883318483996985,0.9346600644232747,0.9421903913371257,0.9622134363648824
EOS-2-02010,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnccn5)c4)n23)cc1Cl,AIVVMIRGCMPRKY-UHFFFAOYSA-N,2,1,0.645,59,13,450.836,4.759,5,0.384,0.71,1.0,0.9723888013158797,0.9705383455554794,0.9506545130559935,0.9542354876293606,0.9619542868891783
EOS-2-02011,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cc1F,FQAWDFSQBFMZIO-UHFFFAOYSA-N,2,1,0.53,59,884,450.836,4.759,5,0.384,0.69,1.0,0.8819049414022343,0.8997498457953533,0.9488725926941265,0.9563172503598109,0.9217111575628812
EOS-2-02012,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cc1F,YDBOKOVGEHSILQ-UHFFFAOYSA-N,2,1,0.542,59,137,450.836,4.759,5,0.359,0.69,1.0,0.8782297306558837,0.8900692207525187,0.9501147967925434,0.9536700705914605,0.9180209546981015
EOS-2-02013,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c2)cc1F,GMLZWOZHOCUVMZ-UHFFFAOYSA-N,2,1,0.512,57,80,450.836,4.759,5,0.384,0.77,1.0,0.7796586937153039,0.887430607908985,0.9155986567061888,0.931995750805291,0.8786709272839421
EOS-2-02014,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(F)c(-c4cncnc4)c3)n12,ZECRJULOKRPCCQ-UHFFFAOYSA-N,2,1,0.561,59,817,450.836,4.759,5,0.384,0.7,1.0,0.9555804948255774,0.9595384140908779,0.9612089644301282,0.9657151668836954,0.9605107600575697
EOS-2-02015,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)nc1,HSAOPNFAJFBZAD-UHFFFAOYSA-N,2,1,0.477,59,109,450.836,4.759,5,0.384,0.71,1.0,0.8964344458913028,0.8653964772805154,0.9379583304776917,0.9446148310602426,0.9111010211774382
EOS-2-02016,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)nc1,CZEVBCKIGVQZOA-UHFFFAOYSA-N,2,1,0.628,59,294,450.836,4.759,5,0.384,0.75,1.0,0.9232146528682065,0.9020457816462203,0.9421646905626756,0.9477331916935097,0.928789579192653
EOS-2-02017,Fc1cccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)c1,NUKDUQFBXNXQSK-UHFFFAOYSA-N,2,1,0.561,34,372,450.836,4.759,5,0.384,0.76,1.0,0.9373929134397917,0.9794650812144473,0.8711191830580495,0.9154530189843054,0.9258575491741485
EOS-2-02018,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)ccn1,UCKRTRGJIVDVSN-UHFFFAOYSA-N,2,1,0.566,59,89,450.836,4.759,5,0.359,0.75,1.0,0.967479953395929,0.9736224384894798,0.9407854156671921,0.9406483448701254,0.9556340381056816
EOS-2-02019,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)ccn1,ZRHTXTGDPUXTGK-UHFFFAOYSA-N,2,1,0.523,59,89,450.836,4.759,5,0.359,0.73,1.0,0.9217582756493728,0.9620742238366116,0.9299996573230074,0.9336320334452745,0.9368660475635666
EOS-2-02020,Fc1cnccc1-c1ccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)cn1,AUHQCQNJSLBVJH-UHFFFAOYSA-N,2,1,0.488,59,671,450.836,4.759,5,0.384,0.65,1.0,0.8911143855801521,0.8535826879583305,0.9165324515112055,0.9291343979165239,0.897590980741553
EOS-2-02021,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)nc1,UOOUVMCBDJMBCL-UHFFFAOYSA-N,2,1,0.506,59,332,450.836,4.759,5,0.384,0.73,1.0,0.9270269344116236,0.9325526009183743,0.9107583441847714,0.9249109039819067,0.9238121958741691
EOS-2-02022,Fc1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1-c1cncnc1,YZDUQZAWIKITTM-UHFFFAOYSA-N,2,1,0.543,59,332,450.836,4.759,5,0.384,0.74,1.0,0.9531046535535604,0.954818038516894,0.9558889041189774,0.9630080186416284,0.9567049037077651
EOS-2-02023,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c(F)cn1,RMQBEOZSCVRSDB-UHFFFAOYSA-N,2,1,0.605,97,232,450.836,4.759,5,0.359,0.75,1.0,0.9830374888629977,0.9790795695976973,0.9308049482557741,0.9354996230553081,0.9571054074429444
EOS-2-02024,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)nc1,YOIUKIQUSLGTBJ-UHFFFAOYSA-N,2,1,0.628,59,294,450.836,4.759,5,0.384,0.75,1.0,0.9217668425741896,0.9044530875197039,0.9421732574874923,0.9483928449043931,0.9291965081214447
EOS-2-02025,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)c2)nc1,HLWWLOBSAAMZRK-UHFFFAOYSA-N,2,1,0.438,59,692,450.836,4.759,5,0.384,0.7,1.0,0.7508138578575835,0.7565194297854843,0.9183229387978891,0.934651497498458,0.8400769309848537
EOS-2-02026,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)nc1,IHLQQAAUTWUMTN-UHFFFAOYSA-N,2,1,0.433,59,692,450.836,4.759,5,0.384,0.73,1.0,0.7796672606401206,0.7432663970940991,0.9212442601603729,0.9320043177301076,0.844045558906175
EOS-2-02027,FC(F)Oc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cc1,ATTWFSHIAJLUNC-UHFFFAOYSA-N,2,1,0.411,96,680,450.836,5.17,5,0.367,0.8,1.0,0.4728000137070797,0.7649407168802687,0.9558974710437941,0.962374066205195,0.7890030669590844
EOS-2-02028,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)nc1,FHJXPIMSLVNKSK-UHFFFAOYSA-N,2,1,0.575,59,692,450.836,4.759,5,0.384,0.73,1.0,0.8284901651703105,0.7821259680625042,0.9273610444794737,0.9355081899801247,0.8683713419231034
EOS-2-02029,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)c4)n23)cc1F,DSRBDHGQXUKERM-UHFFFAOYSA-N,2,1,0.593,43,613,450.836,4.759,5,0.384,0.75,1.0,0.9689962990884792,0.9742306901514632,0.9315845384140908,0.9380439997258584,0.953213881844973
EOS-2-02030,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1-c1cncnc1,DMNKSOXTXHALAD-UHFFFAOYSA-N,2,1,0.575,59,146,450.836,4.759,5,0.384,0.73,1.0,0.9539013775615105,0.9712151326159961,0.9570197381947776,0.9623826331300116,0.961129720375574
EOS-2-02031,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)c5)cn4)n23)c(F)c1,YVINLIMEPBNGNL-UHFFFAOYSA-N,2,1,0.566,97,71,450.836,4.759,5,0.359,0.7,1.0,0.8383164279350285,0.9370588033719416,0.9283805085326571,0.9363134809128915,0.9100173051881296
EOS-2-02032,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)cn5)nc4)n23)cc1F,OEOHMZUMAPPQPS-UHFFFAOYSA-N,2,1,0.61,59,89,450.836,4.759,5,0.384,0.74,1.0,0.9780858063189637,0.9718919196765129,0.9239942430265232,0.9302823658419573,0.9510635837159893
EOS-2-02033,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)nc4)n23)cc1F,DMCSZLCYIRURER-UHFFFAOYSA-N,2,1,0.58,59,89,450.836,4.759,5,0.359,0.74,1.0,0.9674885203207456,0.9612089644301282,0.9165410184360222,0.9208416146939894,0.9415200294702213
EOS-2-02034,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)cn2)c(F)n1,PTQLRUGTECDQOD-UHFFFAOYSA-N,2,1,0.488,59,109,450.836,4.759,5,0.359,0.81,1.0,0.9353882530326914,0.9398430539373587,0.9145106572544719,0.9229319443492564,0.9281684771434445
EOS-2-02035,Fc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccc(Cl)nc4)n23)c(F)c1,IARNRUDPEUQMRF-UHFFFAOYSA-N,2,1,0.523,59,146,450.836,4.759,5,0.359,0.71,1.0,0.9232232197930231,0.9527362757864437,0.9059608662874374,0.9188026865876225,0.9251807621136316
EOS-2-02036,Fc1cnc(-c2ccc(F)nc2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,VQDAKRGOUSIREZ-UHFFFAOYSA-N,2,1,0.62,97,232,450.836,4.759,5,0.359,0.75,1.0,0.9803046398464808,0.9822493317798643,0.907956959769721,0.9240285107257898,0.948634860530464
EOS-2-02037,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,QPVHWKDVPNMGKZ-UHFFFAOYSA-N,2,1,0.523,59,146,450.836,4.759,5,0.359,0.74,1.0,0.9232317867178398,0.9675998903433624,0.9070659995887876,0.9188112535124392,0.9291772325406072
EOS-2-02038,Fc1ccc(F)c(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,KNFLENOJSOQGDY-UHFFFAOYSA-N,2,1,0.556,34,929,450.836,4.759,5,0.384,0.73,1.0,0.9363820163114248,0.9790881365225139,0.9079655266945378,0.9336406003700911,0.9392690699746419
EOS-2-02039,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)cc1,VXJCKRXGPVJGRJ-UHFFFAOYSA-N,2,1,0.575,34,929,450.836,4.759,5,0.384,0.83,1.0,0.9308649167294908,0.979936262079364,0.9156072236310054,0.9355167569049414,0.9404812898362005
EOS-2-02040,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1F,MILHMKMWASDNOH-UHFFFAOYSA-N,2,1,0.595,34,929,450.836,4.759,5,0.384,0.78,1.0,0.9450517442258927,0.9841511890891645,0.917423411692139,0.9372130080186416,0.9459598382564595
EOS-2-02041,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)n2)cc1,JFBZYNPIBSLCHL-UHFFFAOYSA-N,2,1,0.494,34,671,450.836,4.759,5,0.384,0.82,1.0,0.7683846206565691,0.9088564868754712,0.8803286272359674,0.9164810499623055,0.8685126961825782
EOS-2-02042,Fc1cc(F)cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,GCZTWBMLBSXMOB-UHFFFAOYSA-N,2,1,0.568,34,929,450.836,4.759,5,0.384,0.79,1.0,0.9012833253375369,0.9742392570762799,0.9038105681584538,0.930290932766774,0.9274060208347611
EOS-2-02043,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)nc5)cc4)n23)cc1,CIFSXGBAOBMSTF-UHFFFAOYSA-N,2,1,0.521,96,558,450.836,5.17,5,0.344,0.83,1.0,0.5590261119868412,0.8070300185045576,0.9636419710780618,0.9586560208347612,0.8220885306010555
EOS-2-02044,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)cn1,BQTLKHFZSUPMIG-UHFFFAOYSA-N,2,1,0.494,59,884,450.836,4.759,5,0.359,0.76,1.0,0.8654136111301487,0.8953635802892194,0.9434668631348091,0.9510657254471935,0.9138274450003427
EOS-2-02045,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)c1F,MLXNJTWZXOONJN-UHFFFAOYSA-N,2,1,0.506,59,884,450.836,4.759,5,0.359,0.76,1.0,0.8782382975807004,0.8928877390172024,0.9506630799808101,0.9542440545541773,0.9190082927832225
EOS-2-02046,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cn2)cn1,HSPBNTRNXVDCIM-UHFFFAOYSA-N,2,1,0.5,59,109,450.836,4.759,5,0.359,0.81,1.0,0.9283976423822905,0.9384809128915085,0.9387293537111918,0.940656911794942,0.9365662051949831
EOS-2-02047,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,RZWDKKRNXCLEOX-UHFFFAOYSA-N,2,1,0.529,59,146,450.836,4.759,5,0.384,0.75,1.0,0.9578421629771777,0.972380234391063,0.8776300459187171,0.9029710095264204,0.9277058632033446
EOS-2-02048,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)cc1F,BUXVNDLDHZNFOS-UHFFFAOYSA-N,2,1,0.561,59,71,450.836,4.759,5,0.384,0.68,1.0,0.8948409978754026,0.9129000753889384,0.9212528270851895,0.9270954698101569,0.9140223425399219
EOS-2-02049,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)nc1,XXMXQCRXOGGZLL-UHFFFAOYSA-N,2,1,0.595,34,71,450.836,4.759,5,0.384,0.69,1.0,0.8698341443355493,0.9241827153724899,0.9126087999451716,0.9260760057569735,0.908175416352546
EOS-2-02050,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)nc4)n23)c(F)c1,ZVQDATQRMRFEEX-UHFFFAOYSA-N,2,1,0.553,59,146,450.836,4.759,5,0.359,0.72,1.0,0.9421475567130423,0.947416215475293,0.9004266328558701,0.912240422178055,0.9255577068055652
EOS-2-02051,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,JUAFLGWCFSFWJJ-UHFFFAOYSA-N,2,1,0.667,59,884,450.836,4.759,5,0.359,0.77,1.0,0.9297426495785073,0.9294770749091906,0.9552892193818107,0.9568998012473443,0.9428521862792132
EOS-2-02052,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)cn1,VMVCIPUEDJIZEU-UHFFFAOYSA-N,2,1,0.506,59,884,450.836,4.759,5,0.359,0.75,1.0,0.8741518744431499,0.8975995476663697,0.9513655678157769,0.9542526214789939,0.9193424028510726
EOS-2-02053,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)c(F)c1,QZRBUPZLIYPBBI-UHFFFAOYSA-N,2,1,0.512,59,526,450.836,4.759,5,0.384,0.71,1.0,0.8948495648002193,0.9068432595435543,0.8933846206565691,0.9087108491535878,0.9009470735384826
EOS-2-02054,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)c1F,QXPOXAYEJOLZJQ-UHFFFAOYSA-N,2,1,0.5,34,146,450.836,4.759,5,0.384,0.78,1.0,0.8308546364197108,0.865405044205332,0.9359622369954081,0.9542611884038106,0.8966207765060654
EOS-2-02055,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)cc1F,ZGWUWGFZQJJAND-UHFFFAOYSA-N,2,1,0.658,34,13,450.836,4.759,5,0.384,0.77,1.0,0.9060037009115208,0.8976081145911864,0.9407939825920087,0.9575594544582277,0.925491313138236
EOS-2-02056,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cc1,LZHIMHGEPAAOJH-UHFFFAOYSA-N,2,1,0.658,34,13,450.836,4.759,5,0.384,0.72,1.0,0.9060122678363375,0.8928963059420191,0.9400743609074087,0.956908368172161,0.9239728257144816
EOS-2-02057,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)c1,RACFVFOPDOTHDO-UHFFFAOYSA-N,2,1,0.494,34,146,450.836,4.759,5,0.384,0.74,1.0,0.8233928449043931,0.8504129257761633,0.9346686313480913,0.9556747309985607,0.8910372832568021
EOS-2-02058,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)c(F)c4)n23)nc1,XLTQQCBMQFCQKT-UHFFFAOYSA-N,2,1,0.595,34,71,450.836,4.759,5,0.384,0.72,1.0,0.8698427112603659,0.9241912822973065,0.9126173668699884,0.9249194709067233,0.9078927078335961
EOS-2-02059,Fc1cncc(-c2cncc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)c1,LWNBTBPVHXTHIG-UHFFFAOYSA-N,2,1,0.482,2,884,450.836,4.759,5,0.384,0.73,1.0,0.8720958124871496,0.8685405386882324,0.9421818244123089,0.9536786375162771,0.909124203275992
EOS-2-02060,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)nc1F,MPWXRZISTGAJLC-UHFFFAOYSA-N,2,1,0.523,1,31,450.836,4.759,5,0.359,0.77,1.0,0.9245596600644232,0.9241998492221233,0.8957833596052361,0.8994157357275032,0.9109896511548214
EOS-2-02061,FC(F)Oc1ccc(Cl)cc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,YGZQJHILNHGJEC-UHFFFAOYSA-N,2,1,0.411,96,558,450.836,5.17,5,0.367,0.79,0.999,0.6101620862175313,0.782134534987321,0.9688420944417792,0.9686878897950791,0.8324566513604277
EOS-2-02062,Fc1cccc(F)c1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)nc4)c3)n12,YCBQCUKQCAOJJB-UHFFFAOYSA-N,2,1,0.494,59,884,450.836,4.759,5,0.359,0.74,1.0,0.880054485641834,0.8820762798985676,0.9434754300596258,0.9503975053114934,0.9140009252278801
EOS-2-02063,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)cc1F,DNEGPMXQPNURDJ-UHFFFAOYSA-N,2,1,0.667,59,884,450.836,4.759,5,0.359,0.74,1.0,0.9297512165033239,0.9259560688095402,0.9552977863066274,0.9569169350969776,0.9419805016791173
EOS-2-02064,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)nc1,RKVGTWHYCPYIHX-UHFFFAOYSA-N,2,1,0.61,59,89,450.836,4.759,5,0.384,0.77,1.0,0.9787368926050305,0.979473648139264,0.9240028099513399,0.9291429648413405,0.9528390788842438
EOS-2-02065,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ncn2)cc1,PJYFIJCDOFSFJJ-UHFFFAOYSA-N,2,1,0.482,44,488,450.836,4.759,5,0.384,0.77,0.998,0.8610787471729148,0.8565639777945309,0.9183315057227058,0.9414536358028922,0.8943569666232609
EOS-2-02066,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccn2)nc1,GZWKRHFDHZMADM-UHFFFAOYSA-N,2,1,0.588,59,13,450.836,4.759,5,0.384,0.76,1.0,0.979627852785964,0.9818638201631142,0.9265985881707902,0.9328181755876911,0.9552271091768899
EOS-2-02067,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)nc1,XSPMQXSUQPRRKH-UHFFFAOYSA-N,2,1,0.506,59,666,450.836,4.759,5,0.384,0.71,1.0,0.7565022959358508,0.8030806661640737,0.8853060105544514,0.9042132136248372,0.8372755465698033
EOS-2-02068,Fc1cccc(F)c1COc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,OEPFNJQQZHHOCO-UHFFFAOYSA-N,2,1,0.427,59,153,450.836,4.759,5,0.359,0.77,1.0,0.7910527037214722,0.7864265643204715,0.9273696114042903,0.938052566650675,0.8607253615242273
EOS-2-02069,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)cn1,DBRVMQVDPNEQEH-UHFFFAOYSA-N,2,1,0.595,59,71,450.836,4.759,5,0.359,0.72,1.0,0.8981563977794531,0.9705469124802961,0.9408025495168254,0.9421989582619423,0.9379262045096293
EOS-2-02070,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2F)nc1,TWIQHVYOJUXPEB-UHFFFAOYSA-N,2,1,0.518,59,89,450.836,4.759,5,0.359,0.71,1.0,0.9659807415530122,0.9474247824001096,0.9330923171818244,0.9388578575834419,0.946338924679597
EOS-2-02071,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c(F)n1,CTFQEKKVAHOFJC-UHFFFAOYSA-N,2,1,0.58,1,232,450.836,4.759,5,0.359,0.71,1.0,0.9450603111507093,0.9761753820848468,0.9201134260845727,0.9240370776506065,0.9413465492426839
EOS-2-02072,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)nc2)cn1,IWOHKTOVQCYUSZ-UHFFFAOYSA-N,2,1,0.61,59,294,450.836,4.759,5,0.359,0.8,1.0,0.9410938249605921,0.902054348571037,0.9421903913371257,0.9454372558426427,0.9326939551778494
EOS-2-02073,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)nc1F,FWIVIEKCMVCYMM-UHFFFAOYSA-N,2,1,0.506,1,31,450.836,4.759,5,0.359,0.78,1.0,0.7478582687958331,0.8437992598176959,0.8886299773833185,0.8954835172366528,0.8439427558083751
EOS-2-02074,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)cc(F)c1Cl,VBINSXVLLSHBEF-UHFFFAOYSA-N,2,1,0.653,43,96,450.836,4.759,5,0.359,0.65,1.0,0.945068878075526,0.9620827907614283,0.9640960180933452,0.9617058460694949,0.9582383832499486
EOS-2-02075,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4cccnc4F)nc3)n12,OUZBJYVNMMGFCP-UHFFFAOYSA-N,2,1,0.488,59,671,450.836,4.759,5,0.359,0.7,1.0,0.8721043794119663,0.8874391748338016,0.9016003015557535,0.9111010211774382,0.8930612192447398
EOS-2-02076,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)cn1,UAKUVNCLOFMAOW-UHFFFAOYSA-N,2,1,0.58,59,89,450.836,4.759,5,0.359,0.79,1.0,0.9695617161263793,0.9761839490096635,0.9400829278322254,0.9397231169899253,0.9563879274895484
EOS-2-02077,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2)cc1F,YTAQULQUUDEUQK-UHFFFAOYSA-N,2,1,0.466,59,153,450.836,4.759,5,0.359,0.76,1.0,0.9217754094990063,0.8847577273661846,0.9379668974025084,0.9446233979850592,0.9222808580631896
EOS-2-02078,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4ccnnc4)c(F)c3)n12,GQCCZBDPQHJBMG-UHFFFAOYSA-N,2,1,0.556,34,146,450.836,4.759,5,0.384,0.7,1.0,0.9164467822630389,0.9566684942772942,0.9606863820163114,0.9657237338085121,0.9498813480912891
EOS-2-02079,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)ccn2)n1,AXJGSAGOZAWCLR-UHFFFAOYSA-N,2,1,0.518,24,910,450.836,4.759,5,0.359,0.74,1.0,0.9076656843259544,0.8900777876773354,0.9183400726475225,0.9240456445754232,0.9100322973065589
EOS-2-02080,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)nc1,NHHYCNCNNBDUTN-UHFFFAOYSA-N,2,1,0.689,59,294,450.836,4.759,5,0.384,0.77,1.0,0.9604979096703448,0.9259646357343568,0.9308135151805907,0.9363220478377082,0.9383995271057501
EOS-2-02081,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)cn1,IIEPZXWMRLRHGJ-UHFFFAOYSA-N,2,1,0.444,59,153,450.836,4.759,5,0.359,0.75,1.0,0.7447484750873826,0.8146374477417586,0.9364933863340416,0.9437410047289425,0.8599050784730313
EOS-2-02082,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)c1,AIEGBAJVWLIGSL-UHFFFAOYSA-N,2,1,0.411,59,332,450.836,4.759,5,0.384,0.79,1.0,0.7994568569666233,0.7565279967103009,0.9266071550956069,0.943081351518059,0.8564183400726475
EOS-2-02083,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c1,YDAOHMMUIKQJSR-UHFFFAOYSA-N,2,1,0.444,59,153,450.836,4.759,5,0.359,0.79,1.0,0.7683931875813858,0.7987629360564732,0.9353625522582414,0.944631964909876,0.861787660201494
EOS-2-02084,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cn2)c1,MREUSJJLPHZQIF-UHFFFAOYSA-N,2,1,0.5,59,801,450.836,4.759,5,0.384,0.78,1.0,0.7966811733260228,0.8739719690219999,0.8864368446302515,0.9111095881022548,0.8670498937701323
EOS-2-02085,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)cn1,NUJLZYSWCSXRJL-UHFFFAOYSA-N,2,1,0.427,59,153,450.836,4.759,5,0.359,0.84,1.0,0.7739274210129532,0.8030892330888905,0.9283890754574737,0.9397316839147419,0.8612843533685148
EOS-2-02086,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)cc1F,DKTRWYUSFFOHSG-UHFFFAOYSA-N,2,1,0.58,59,153,450.836,4.759,5,0.359,0.79,1.0,0.8761736686998834,0.8472859982180796,0.9421989582619423,0.947005003084093,0.9031659070659996
EOS-2-02087,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1F,MPZHYEQNADDCOD-UHFFFAOYSA-N,2,1,0.471,59,153,450.836,4.759,5,0.359,0.76,1.0,0.8308632033445275,0.8262627647179769,0.9387379206360085,0.9462596806250428,0.8855308923308889
EOS-2-02088,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4c(F)cccc4Cl)n23)cn1,XEGOSRURAZAGIP-UHFFFAOYSA-N,2,1,0.488,59,671,450.836,4.759,5,0.359,0.7,1.0,0.8875676787060517,0.9020629154958536,0.8886385443081352,0.907494345829621,0.8964408710849154
EOS-2-02089,Fc1cc(F)cc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)c1,UUTYGUHEJGIFRV-UHFFFAOYSA-N,2,1,0.438,59,153,450.836,4.759,5,0.359,0.81,1.0,0.6870845041463917,0.7386745253923651,0.9283976423822905,0.9397402508395586,0.8234742306901515
EOS-2-02090,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cn2)cn1,NTKMYNQUNNHKNV-UHFFFAOYSA-N,2,1,0.58,59,89,450.836,4.759,5,0.359,0.78,1.0,0.9647642382290453,0.9595469810156946,0.940091494757042,0.9388664245082585,0.9508172846275103
EOS-2-02091,FC(F)Oc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1,OXDVRVFDCCPZRW-UHFFFAOYSA-N,2,1,0.532,96,837,450.836,5.17,5,0.367,0.78,1.0,0.5357754780344047,0.8847662942910013,0.9506716469056268,0.9581248714961278,0.8323345726817901
EOS-2-02092,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)c(F)c5)ccn4)n23)cc1,DYSGMOPAZGXRCA-UHFFFAOYSA-N,2,1,0.578,97,71,450.836,4.759,5,0.359,0.75,1.0,0.8929391405661024,0.9462768144746762,0.932329860873141,0.9372215749434583,0.9271918477143444
EOS-2-02093,Fc1cncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)c1,SKLMMCAIFLIKQK-UHFFFAOYSA-N,2,1,0.554,59,71,450.836,4.759,5,0.384,0.72,1.0,0.9459512713316428,0.9756270988965801,0.930008224247824,0.942207525186759,0.9484485299157015
EOS-2-02094,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cc1F,FPRCZYNKCACVJP-UHFFFAOYSA-N,2,1,0.541,59,137,450.836,4.759,5,0.384,0.67,1.0,0.7385631553697485,0.8597851415255979,0.9387464875608251,0.9498577890480433,0.8717381433760538
EOS-2-02095,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1F,NJJMZZATBCVMMG-UHFFFAOYSA-N,2,1,0.518,59,137,450.836,4.759,5,0.359,0.7,1.0,0.8995785072990199,0.9088650538002878,0.9519909533273936,0.9563258172846275,0.9291900829278322
EOS-2-02096,Fc1cc(-c2cccnn2)ccc1COc1cncc2nnc(-c3c(F)cccc3Cl)n12,LFKOQYMSFILTEU-UHFFFAOYSA-N,2,1,0.512,34,671,450.836,4.759,5,0.384,0.68,1.0,0.9206360084983894,0.9279350284421904,0.9284062093071072,0.9422160921115756,0.9297983345898158
EOS-2-02097,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)cc1F,NBMXCOIUNXHXLZ-UHFFFAOYSA-N,2,1,0.649,44,488,450.836,4.759,5,0.384,0.79,0.997,0.9450774450003426,0.916883695428689,0.935371119183058,0.9484014118292098,0.9364334178603249
EOS-2-02098,Fc1ccc(-c2ncc(F)cc2COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1,JGMRIXXUTWPWPT-UHFFFAOYSA-N,2,1,0.542,59,801,450.836,4.759,5,0.359,0.69,1.0,0.9341289150846412,0.962091357686245,0.9038191350832705,0.9229405112740731,0.9307449797820574
EOS-2-02099,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)cc1Cl,OTAVSMWXXZAEEM-UHFFFAOYSA-N,2,1,0.494,59,469,450.836,4.759,5,0.384,0.78,1.0,0.8128298266054417,0.8820848468233843,0.912625933794805,0.9271040367349737,0.8836611609896511
EOS-2-02100,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)c1,NDUFTRKKYRWACQ-UHFFFAOYSA-N,2,1,0.588,59,71,450.836,4.759,5,0.384,0.69,1.0,0.892947707490919,0.9585360838873278,0.927378178329107,0.9388749914330752,0.9294342402851072
EOS-2-02101,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)nc4)n23)c1,OQJNATYBMXYPNR-UHFFFAOYSA-N,2,1,0.541,59,801,450.836,4.759,5,0.384,0.77,1.0,0.7966897402508396,0.9205075046261394,0.9240113768761565,0.9355253238297581,0.8941834863957234
EOS-2-02102,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1cccnc1,DZBPUYXORNIAQF-UHFFFAOYSA-N,2,1,0.58,97,526,450.836,4.759,5,0.384,0.71,1.0,0.8676667123569324,0.8796261394010007,0.9134826262764718,0.927917894592557,0.8971733431567404
EOS-2-02103,FC(F)Oc1ccc(-c2ccccc2-c2nnc3cncc(-c4ncc(Cl)cn4)n23)cc1,OZNDKXVFKKGPJE-UHFFFAOYSA-N,2,1,0.455,96,856,450.836,5.17,5,0.367,0.77,1.0,0.5101261051333014,0.7692670139126859,0.9126345007196217,0.9320128846549243,0.7810101261051333
EOS-2-02104,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cc2Cl)n1,HAXUITARWPEQLS-UHFFFAOYSA-N,2,1,0.5,59,89,450.836,4.759,5,0.359,0.8,1.0,0.9598553903090946,0.9356366938523748,0.9315931053389076,0.9380611335754917,0.9412865807689672
EOS-2-02105,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)nc1,XUEWYVCQYIVTHR-UHFFFAOYSA-N,2,1,0.549,34,929,450.836,4.759,5,0.384,0.74,1.0,0.9393633061476252,0.9781971763415804,0.8671098622438489,0.8968713590569529,0.920385425947502
EOS-2-02106,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)cc1F,YYZGMILHJLNTGP-UHFFFAOYSA-N,2,1,0.628,59,294,450.836,4.759,5,0.384,0.75,1.0,0.9232403536426564,0.9068518264683709,0.9428843122472758,0.9484099787540264,0.9303466177780825
EOS-2-02107,Fc1ccnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)c1,CFNRNPBHBOXQRS-UHFFFAOYSA-N,2,1,0.598,59,71,450.836,4.759,5,0.384,0.71,1.0,0.8981649647042698,0.9630165855664451,0.9266157220204235,0.9346600644232747,0.9306143341786033
EOS-2-02108,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)n1,ZANDCICSQUSQIG-UHFFFAOYSA-N,2,1,0.554,34,929,450.836,4.759,5,0.359,0.69,1.0,0.9341374820094579,0.9772462476869302,0.9038277020080872,0.919719347543006,0.9337326948118704
EOS-2-02109,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)nc2)nc1,MEPZYWZSNYKFBS-UHFFFAOYSA-N,2,1,0.556,34,671,450.836,4.759,5,0.384,0.73,1.0,0.7966983071756563,0.8769018573093003,0.8909601809334521,0.9099273524775546,0.8686219244739908
EOS-2-02110,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)nc1F,OSKPGYKRZZVTFI-UHFFFAOYSA-N,2,1,0.547,34,71,450.836,4.759,5,0.359,0.73,1.0,0.7684017545062024,0.8654136111301487,0.9016088684805702,0.9075029127544376,0.8607317867178397
EOS-2-02111,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)c1,JSQUSGFSOXQOIO-UHFFFAOYSA-N,2,1,0.541,59,801,450.836,4.759,5,0.384,0.81,1.0,0.7882684531560551,0.9088736207251045,0.9240199438009732,0.9355338907545747,0.8891739771091769
EOS-2-02112,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cc3F)n12,ARTGFNQDUPHTER-UHFFFAOYSA-N,2,1,0.536,97,526,450.836,4.759,5,0.384,0.75,1.0,0.8429340004112124,0.895372147214036,0.9079740936193544,0.9240542115002399,0.8925836131862107
EOS-2-02113,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)c(F)c1,OTLAQPQJDIQXRZ-UHFFFAOYSA-N,2,1,0.506,97,22,450.836,4.759,5,0.359,0.71,1.0,0.8698512781851826,0.9068603933931876,0.9134911932012885,0.9229490781988897,0.9032879857446371
EOS-2-02114,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)cc1F,AGIQGOZGVKWFNN-UHFFFAOYSA-N,2,1,0.585,59,71,450.836,4.759,5,0.384,0.67,1.0,0.818004249194709,0.8929048728668357,0.9266242889452402,0.9355424576793914,0.8932689671715441
EOS-2-02115,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5)c4)n23)c(F)c1,PRKOOHWPGXTGHG-UHFFFAOYSA-N,2,1,0.529,59,71,450.836,4.759,5,0.384,0.72,1.0,0.8610873140977314,0.8953807141388527,0.8981992324035364,0.9188198204372559,0.8933717702693441
EOS-2-02116,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)cn1,QDMXPKFNUQOEQG-UHFFFAOYSA-N,2,1,0.58,97,71,450.836,4.759,5,0.359,0.67,1.0,0.8357549174148448,0.9186056473168391,0.9316016722637243,0.9380697005003084,0.9060079843739292
EOS-2-02117,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)nn1,OYZVJPDVWSPPMP-UHFFFAOYSA-N,2,1,0.689,43,372,450.836,4.759,5,0.384,0.74,1.0,0.9845624014803646,0.9883404153245151,0.9308220821054074,0.9422246590363923,0.9614873894866698
EOS-2-02118,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)n4)n23)cn1,GHXWNFQTFWZUNT-UHFFFAOYSA-N,2,1,0.494,34,801,450.836,4.759,5,0.359,0.81,1.0,0.8405609622369954,0.9020714824206703,0.8946182578301692,0.9111181550270715,0.8870922143787265
EOS-2-02119,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nc4Cl)n23)c1,MMRMUDICHAYRME-UHFFFAOYSA-N,2,1,0.541,34,71,450.836,4.759,5,0.359,0.71,1.0,0.7508224247824001,0.8769104242341169,0.8711277499828661,0.902979576451237,0.8504600438626551
EOS-2-02120,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c(F)c1,NGBSUVWOAGIAOC-UHFFFAOYSA-N,2,1,0.506,59,666,450.836,4.759,5,0.384,0.69,1.0,0.759415050373518,0.8030978000137071,0.885314577479268,0.9054382838736207,0.8383164279350285
EOS-2-02121,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)cc1F,QOMIJHABBFCHAJ-UHFFFAOYSA-N,2,1,0.578,59,71,450.836,4.759,5,0.384,0.68,1.0,0.804982523473374,0.8769189911589336,0.9284147762319238,0.9388835583578918,0.8872999623055309
EOS-2-02122,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)n5)n34)cc2)cn1,XIHOLAAZEMGZNG-UHFFFAOYSA-N,2,1,0.524,1,31,450.836,4.759,5,0.359,0.66,1.0,0.8964430128161195,0.932561167843191,0.9240285107257898,0.92492803783154,0.9194901823041601
EOS-2-02123,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2)cn1,IYOWIIJUKJIIFB-UHFFFAOYSA-N,2,1,0.506,97,22,450.836,4.759,5,0.359,0.77,1.0,0.8654221780549654,0.9108697142073882,0.9145192241792885,0.9229576451237064,0.9034421903913371
EOS-2-02124,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)n1,SBQRDEQYZYASJB-UHFFFAOYSA-N,2,1,0.548,34,461,450.836,4.759,5,0.359,0.78,1.0,0.9341460489342746,0.977254814611747,0.8550304982523473,0.8844064834487012,0.9127094613117676
EOS-2-02125,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(Cl)nn5)c4)n23)cc1,CLGSQKROYSPUCB-UHFFFAOYSA-N,2,1,0.689,43,372,450.836,4.759,5,0.384,0.8,1.0,0.9836800082242478,0.9782057432663971,0.9292115002398739,0.9414622027277089,0.9581398636145569
EOS-2-02126,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)c1,FPXFQKSTCDBHRW-UHFFFAOYSA-N,2,1,0.524,59,89,450.836,4.759,5,0.384,0.78,1.0,0.9107326434103215,0.9259732026591735,0.9373158111164417,0.9446405318346927,0.9296655472551574
EOS-2-02127,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cn1,QHZCXXPTUXUVBQ-UHFFFAOYSA-N,2,1,0.483,59,89,450.836,4.759,5,0.359,0.8,1.0,0.9012918922623535,0.9044616544445206,0.9201219930093893,0.9291515317661572,0.9137567678706051
EOS-2-02128,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)nc4)n23)c1,ZTCRWDJTJUQTSO-UHFFFAOYSA-N,2,1,0.524,59,89,450.836,4.759,5,0.384,0.76,1.0,0.915153176615722,0.9370673702967582,0.9373243780412583,0.9437495716537592,0.9333236241518745
EOS-2-02129,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cc1F,IDCJVJPRXYKUFP-UHFFFAOYSA-N,2,1,0.524,59,89,450.836,4.759,5,0.384,0.72,1.0,0.9107412103351381,0.9308649167294908,0.937332944966075,0.9446490987595093,0.9308970426975534
EOS-2-02130,Cc1cncc(-c2nc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2Cl)n1,BGYWDUCVILQBGU-UHFFFAOYSA-N,2,1,0.373,50,243,450.84,4.605,5,0.394,0.55,0.457,0.337553971626345,0.5422006716469057,0.7231940922486464,0.7178483311630457,0.5801992666712357
EOS-2-02131,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1nnco1,QQYMTZWCMFHYCA-UHFFFAOYSA-N,2,1,0.443,49,501,450.846,2.915,5,0.365,0.56,0.965,0.5757658830786101,0.4478616955657597,0.14497806867246932,0.14110581865533547,0.3274278664930437
EOS-2-02132,COc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)o1,PONUQBCFSRNURT-UHFFFAOYSA-N,2,1,0.529,75,241,450.846,2.915,5,0.341,0.64,0.998,0.6325388938386677,0.5148464807072853,0.17657288739634022,0.15615790555822082,0.3700290418751285
EOS-2-02133,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nnco1,NWOWCSQCRKMGNW-UHFFFAOYSA-N,2,1,0.446,49,773,450.846,2.915,5,0.341,0.51,1.0,0.6474282091700363,0.4432441230895758,0.17973408265369062,0.1561664724830375,0.35664322184908503
EOS-2-02134,COCCOc1ncc(Cl)cc1-c1nnc2cncc(-c3cccc(-c4nnon4)c3)n12,HLDHLSYHGSMNFU-UHFFFAOYSA-N,2,1,0.314,61,336,450.846,2.977,5,0.341,0.64,1.0,0.40763141662668767,0.30092180111027345,0.22078678637516277,0.24636762387773284,0.2939269069974642
EOS-2-02135,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1noc(C)n1,XIYFQHXMMPCAJY-UHFFFAOYSA-N,2,1,0.479,4,224,450.846,3.181,5,0.38,0.66,1.0,0.5932852443286958,0.5856863820163114,0.19622541292577617,0.1510006168185868,0.38154941402234255
EOS-2-02136,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1noc(C)n1,PUIZRVYLOCTKTP-UHFFFAOYSA-N,2,1,0.406,46,896,450.846,3.181,5,0.38,0.68,1.0,0.5676016037283257,0.4652268521691454,0.14198821191145228,0.12135905695291618,0.32404393119045993
EOS-2-02137,COc1cc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1-c1ncon1,FDTBWCYMJRCBOW-UHFFFAOYSA-N,2,1,0.529,65,604,450.846,2.915,5,0.341,0.61,1.0,0.8284987320951271,0.6571002672880543,0.2673737235282023,0.20570043177301076,0.48966828867109863
EOS-2-02138,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5nnc(C)o5)n4)n23)ccc1Cl,ALKQGWHPDPWSSV-UHFFFAOYSA-N,2,1,0.495,4,67,450.846,3.181,5,0.38,0.65,1.0,0.5902525529435954,0.7432749640189158,0.1604242341169214,0.14608320197381947,0.41000873826331297
EOS-2-02139,OCc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)n1,XDPOBMQMWLOOCZ-UHFFFAOYSA-N,2,1,0.5,65,981,450.846,2.399,5,0.368,0.7,1.0,0.507684531560551,0.5330511959427044,0.16043280104173807,0.18324652182852444,0.3461037625933795
EOS-2-02140,COc1cc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)ccc1-c1ncon1,KJDOIKLAUTXUCD-UHFFFAOYSA-N,2,1,0.467,15,604,450.846,2.915,5,0.341,0.67,1.0,0.7796758275649373,0.6327530669590844,0.16993352066342265,0.15346789116578713,0.4339575765883079
EOS-2-02141,COc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1noc(C)n1,GISLEXLBKZHPCG-UHFFFAOYSA-N,2,1,0.425,16,248,450.846,3.181,5,0.356,0.74,1.0,0.6186176410115825,0.5998389418134467,0.16672092385717224,0.1278185182646837,0.3782490062367213
EOS-2-02142,COc1ncc(-c2nnc(C)o2)cc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,ZOZWSVFKILEMMM-UHFFFAOYSA-N,2,1,0.429,55,875,450.846,3.181,5,0.356,0.66,1.0,0.5231563977794531,0.5803663217051607,0.2068826673977109,0.15100918374340347,0.36535364265643205
EOS-2-02143,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cocn1,NWJLNRCUQSFZKM-UHFFFAOYSA-N,2,1,0.418,49,501,450.846,2.915,5,0.365,0.55,0.984,0.5590346789116579,0.4565314234802275,0.12424611061613323,0.1144626824754986,0.3135687238708793
EOS-2-02144,COc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1nc(C)no1,IMDWGRRDMDXKNJ-UHFFFAOYSA-N,2,1,0.419,51,248,450.846,3.181,5,0.356,0.71,1.0,0.6186262079363991,0.5562932629703242,0.1797426495785073,0.13429511342608458,0.3722393084778288
EOS-2-02145,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncno1,ZRXWKMTTXVWPHI-UHFFFAOYSA-N,2,1,0.441,49,773,450.846,2.915,5,0.341,0.52,0.999,0.5333339044616544,0.4299996573230073,0.1829552463847577,0.15891645534918786,0.32630131587965183
EOS-2-02146,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncon1,AEYONGUXSSUYJV-UHFFFAOYSA-N,2,1,0.489,15,604,450.846,2.915,5,0.365,0.65,1.0,0.7882770200808717,0.6279041875128504,0.2068912343225276,0.1832550887533411,0.4515818826673977
EOS-2-02147,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nc(C)no1,WYKZKMAQWOVPBC-UHFFFAOYSA-N,2,1,0.454,4,224,450.846,3.181,5,0.38,0.67,1.0,0.5988194777602632,0.5377801384415051,0.2103779727229114,0.1589250222740045,0.376475652799671
EOS-2-02148,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1noc(C)n1,ONIDOEZNQLYTRD-UHFFFAOYSA-N,2,1,0.451,51,196,450.846,3.181,5,0.38,0.71,1.0,0.6688797889109726,0.5856949489411281,0.1667294907819889,0.12570248783496676,0.3867516791172641
EOS-2-02149,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1nnco1,KDRQKSNCZFIFTE-UHFFFAOYSA-N,2,1,0.46,20,279,450.846,2.915,5,0.365,0.66,1.0,0.6900315262833253,0.5611592762661914,0.2278030978000137,0.19675656226440957,0.41893761565348503
EOS-2-02150,OCc1nnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)o1,XPHRRVPGCFFPJN-UHFFFAOYSA-N,2,1,0.484,58,241,450.846,2.399,5,0.368,0.66,0.978,0.5461585909122062,0.5239873894866699,0.11290350215886505,0.1434702899047358,0.3316299431156192
EOS-2-02151,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)o1,PXCYBHAQVFFQIU-UHFFFAOYSA-N,2,1,0.495,58,981,450.846,2.915,5,0.341,0.67,1.0,0.6688883558357892,0.647385374545953,0.16370536632170515,0.14347885682955247,0.40586448838324996
EOS-2-02152,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nnco1,QAQADJPYEUDQCX-UHFFFAOYSA-N,2,1,0.436,49,578,450.846,2.915,5,0.341,0.58,0.999,0.6414056610239188,0.44325269001439244,0.1894061407717086,0.16668665615790557,0.3601877869919814
EOS-2-02153,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nnc(C)o1,GAZAPGTXICYADX-UHFFFAOYSA-N,2,1,0.447,4,248,450.846,3.181,5,0.38,0.76,1.0,0.5307295593173874,0.5330597628675211,0.21704304023027893,0.16402234253992187,0.3612136762387773
EOS-2-02154,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1-c1ncco1,SISWHANGDPQFQA-UHFFFAOYSA-N,2,1,0.43,49,501,450.846,2.915,5,0.341,0.58,0.994,0.6325474607634843,0.4432612569392091,0.12696182578301693,0.09684908505242958,0.32490490713453496
EOS-2-02155,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1noc(C)n1,PLRCQRXYCMDLQC-UHFFFAOYSA-N,2,1,0.389,49,896,450.846,3.181,5,0.356,0.68,1.0,0.5231649647042698,0.48742375436913166,0.14798505928311972,0.12136762387773285,0.31998535055856353
EOS-2-02156,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1ncco1,FDDWRUMWZDSOIY-UHFFFAOYSA-N,2,1,0.418,49,501,450.846,2.915,5,0.365,0.59,0.984,0.5409670344733054,0.402516962511137,0.09477588924679597,0.08536940579809471,0.2809073230073333
EOS-2-02157,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1nnc(C)o1,ZLMXVSCYMHYEPP-UHFFFAOYSA-N,2,1,0.448,4,224,450.846,3.181,5,0.38,0.71,1.0,0.5435542457679391,0.5285621273387705,0.2315554108697142,0.16669522308272222,0.36759175176478653
EOS-2-02158,COc1cc(-c2nnc3cncc(OCc4ccc(-c5noc(C)n5)nn4)n23)ccc1Cl,PEECKBNQRMZNSG-UHFFFAOYSA-N,2,1,0.489,4,67,450.846,3.181,5,0.38,0.69,1.0,0.5435628126927559,0.7014084024398601,0.18941470769652524,0.17761805222397367,0.40300099376327875
EOS-2-02159,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nc(C)co1,CNCHXVXSVQMCQC-UHFFFAOYSA-N,2,1,0.385,49,94,450.846,3.181,5,0.38,0.57,1.0,0.4537214721403605,0.3927249674456857,0.11878041258309917,0.08365602083476116,0.26222071825097665
EOS-2-02160,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ncon1,CAMBSKHKHMCYLN-UHFFFAOYSA-N,2,1,0.463,49,896,450.846,2.915,5,0.365,0.53,0.992,0.6414142279487355,0.48258344184771435,0.129977383318484,0.13217051607155095,0.3465363922966212
EOS-2-02161,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)ccc1-c1ncco1,VQXYNPWXNTZFEL-UHFFFAOYSA-N,2,1,0.414,49,501,450.846,2.915,5,0.365,0.56,1.0,0.5333424713864711,0.4071516688369543,0.10226338153656364,0.1009697758892468,0.2859318244123089
EOS-2-02162,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncco1,JIQKYJHGQRGKDM-UHFFFAOYSA-N,2,1,0.438,49,501,450.846,2.915,5,0.365,0.58,0.959,0.5785587005688438,0.41664382153382223,0.092531354944829,0.08366458775957782,0.29284961620176825
EOS-2-02163,OCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)o1,ZYAUAWNMNFGTJI-UHFFFAOYSA-N,2,1,0.469,58,954,450.846,2.399,5,0.368,0.68,0.999,0.5538859570968405,0.632761633883901,0.11010211774381468,0.13877561510520184,0.35888133095743946
EOS-2-02164,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1nnco1,PZZLOXKMCXVERZ-UHFFFAOYSA-N,2,1,0.474,72,482,450.846,2.915,5,0.365,0.63,1.0,0.7654375985196354,0.652516962511137,0.22407648550476322,0.19676512918922623,0.4596990439311905
EOS-2-02165,COc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1noc(C)n1,DESAFSVNUYAANB-UHFFFAOYSA-N,2,1,0.408,49,122,450.846,3.181,5,0.356,0.62,1.0,0.4373500788157083,0.4565399904050442,0.09977897333972997,0.08367315468439449,0.2693355493112192
EOS-2-02166,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncon1,SSKSTUSHBZYTGA-UHFFFAOYSA-N,2,1,0.451,49,896,450.846,2.915,5,0.341,0.53,1.0,0.6658470975258721,0.4786083887327805,0.16371393324652184,0.14609176889863615,0.36356529710095264
EOS-2-02167,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncon1,ZWMABXQOARJFDT-UHFFFAOYSA-N,2,1,0.436,18,896,450.846,2.915,5,0.365,0.56,0.998,0.6840175450620245,0.482592008772531,0.16044136796655473,0.15617503940785415,0.3708064903022411
EOS-2-02168,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)o1,HXZSAQJIRPIEJS-UHFFFAOYSA-N,2,1,0.511,87,579,450.846,2.915,5,0.365,0.64,0.922,0.6658556644506888,0.6571088342128709,0.12998595024330067,0.12137619080254952,0.39358165992735245
EOS-2-02169,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncon1,WJJNUSJQOLKTQT-UHFFFAOYSA-N,2,1,0.433,49,896,450.846,2.915,5,0.341,0.59,1.0,0.6131776437529984,0.46102049208416146,0.11011068466863135,0.10730930025358097,0.32290453018984305
EOS-2-02170,COCc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)no1,FAKRXGSMIXOUBG-UHFFFAOYSA-N,2,1,0.523,4,32,450.846,3.01,5,0.365,0.71,1.0,0.6658642313755054,0.747626961825783,0.12174456856966623,0.17227229113837297,0.4268770132273319
EOS-2-02171,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cnn(C)n1,NSTYIBRARPGEQI-UHFFFAOYSA-N,2,1,0.367,7,94,450.85,2.013,5,0.378,0.58,0.859,0.34233431567404565,0.3303748886299774,0.0719878692344596,0.0535175793297238,0.1995536632170516
EOS-2-02172,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncn(C)n1,JOUQECHQILCSON-UHFFFAOYSA-N,2,1,0.364,51,924,450.85,2.013,5,0.378,0.57,0.761,0.3721043794119663,0.345289904735796,0.03771160304297169,0.026857309300253582,0.1954907991227469
EOS-2-02173,COc1cncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nn2C)n1,BXPOJZTVCSWJTO-UHFFFAOYSA-N,2,1,0.357,7,828,450.85,2.013,5,0.378,0.62,0.986,0.32248475087382633,0.26470940991021863,0.06976903570694264,0.05937735590432458,0.17908513809882803
EOS-2-02174,CCOc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)n[nH]1,MWVBVLUYNHRXSJ-UHFFFAOYSA-N,2,1,0.385,51,196,450.85,2.392,5,0.392,0.59,1.0,0.47009286546501267,0.4697073538482626,0.054065862517990546,0.049730998560756634,0.2608992700980056
EOS-2-02175,COc1ncc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)nn2C)cn1,GNRNWOSPVVDXAV-UHFFFAOYSA-N,2,1,0.354,51,462,450.85,2.013,5,0.354,0.68,1.0,0.2971609211157563,0.23393701596874786,0.0577753409636077,0.041866561579055585,0.15768495990679185
EOS-2-02176,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cnn(C)n1,VORHLMVSYNULAY-UHFFFAOYSA-N,2,1,0.366,51,924,450.85,2.013,5,0.378,0.51,0.883,0.409867384003838,0.33038345555479404,0.05590775135357412,0.03933075183332191,0.20887233568638203
EOS-2-02177,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cnn(C)c(=O)c1,QMQHNIPMIYJYTD-UHFFFAOYSA-N,2,1,0.392,53,694,450.85,1.308,5,0.388,0.63,0.992,0.15763141662668767,0.15365636351175382,0.06365225138784182,0.07080563360975944,0.11143641628401069
EOS-2-02178,Cc1coc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)n1,GREVGKAHCQFQFB-UHFFFAOYSA-N,2,1,0.575,84,749,450.861,4.564,5,0.374,0.68,1.0,0.8563155369748475,0.8438078267425125,0.6392467959701186,0.6437272976492359,0.7457743643341785
EOS-2-02179,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnn(C)c1,WKVDYQJPGFNNPO-UHFFFAOYSA-N,2,1,0.53,13,209,450.861,4.785,5,0.383,0.73,1.0,0.5646717154410252,0.6525255294359537,0.8933931875813858,0.8430625042834624,0.7384132341854567
EOS-2-02180,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccnn1C,TXQIYLLPNQETEV-UHFFFAOYSA-N,2,1,0.5,13,209,450.861,4.785,5,0.383,0.74,1.0,0.5284678911657871,0.5751062298677266,0.8671184291686657,0.8108337331231581,0.6953815708313345
EOS-2-02181,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)o1,FEKFSICQBGTLJI-UHFFFAOYSA-N,2,1,0.591,84,308,450.861,4.564,5,0.374,0.66,1.0,0.8024895483517237,0.6473939414707697,0.7576245630868343,0.7282571448152971,0.7339412994311563
EOS-2-02182,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1cnco1,GQDXKYVTWYYWTL-UHFFFAOYSA-N,2,1,0.566,59,294,450.861,4.775,5,0.367,0.68,0.999,0.7508309917072168,0.7062230141868275,0.7051350147351106,0.7039699129600439,0.7165397333972997
EOS-2-02183,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4cncc(Cl)c4)n23)c(F)c1,NYPDRNAASCIZLP-UHFFFAOYSA-N,2,1,0.477,16,772,450.861,4.83,5,0.378,0.76,1.0,0.6781577684874237,0.6864248509355082,0.7438489479816325,0.7205469124802961,0.7072446199712152
EOS-2-02184,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1cnn(C)c1,RHVNLBSXIOEGCT-UHFFFAOYSA-N,2,1,0.641,13,209,450.861,4.785,5,0.383,0.72,1.0,0.6562521417312042,0.7200842985401961,0.9038362689329038,0.8588513467205812,0.7847560139812213
EOS-2-02185,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cncn1C,IASXKZHZGILCKE-UHFFFAOYSA-N,2,1,0.489,13,209,450.861,4.785,5,0.383,0.75,1.0,0.7112517990542115,0.6421424165581523,0.880337194160784,0.8291669522308273,0.7657245905009937
EOS-2-02186,COc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4F)n23)ccc1-c1cncn1C,JJHLRVVDUYLMIK-UHFFFAOYSA-N,2,1,0.457,13,209,450.861,4.785,5,0.383,0.76,1.0,0.7654461654444521,0.6913765334795422,0.8839867041326845,0.8291755191556439,0.7924962305530807
EOS-2-02187,Cn1nc(-c2ccc(O)c(F)c2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,CCGDEKCVXFNGNW-UHFFFAOYSA-N,2,1,0.529,34,372,450.861,4.269,5,0.43,0.69,1.0,0.8383249948598451,0.89975841272017,0.8022925090809403,0.8085806318963745,0.8372391371393324
EOS-2-02188,OCn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)cn1,DLQWRFLMFZZWML-UHFFFAOYSA-N,2,1,0.578,43,623,450.861,3.976,5,0.421,0.72,1.0,0.7447570420121993,0.8070385854293742,0.8992015626070866,0.8911829209786855,0.8355450277568365
EOS-2-02189,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2F)on1,AVPFMEYZXBUNHK-UHFFFAOYSA-N,2,1,0.583,35,669,450.861,4.564,5,0.35,0.71,1.0,0.9151617435405387,0.8820934137482009,0.7555856349804674,0.7392656432047152,0.8230266088684806
EOS-2-02190,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1-c1ncco1,RCQPKFSDORDSJF-UHFFFAOYSA-N,2,1,0.566,44,294,450.861,4.775,5,0.367,0.62,0.946,0.7417329175519156,0.7062315811116442,0.6153879103556987,0.6261736686998834,0.6723815194297855
EOS-2-02191,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ncco1,XVPUUSPQLPOGIM-UHFFFAOYSA-N,2,1,0.566,44,294,450.861,4.775,5,0.367,0.65,0.946,0.7356504009320814,0.7014169693646769,0.6153964772805154,0.6290007538893838,0.6703661503666644
EOS-2-02192,COc1cc(-c2nnc3cncc(OCc4cnn(-c5ccc(F)cc5)c4)n23)ccc1Cl,PULDGSNVRJDZOE-UHFFFAOYSA-N,2,1,0.541,34,67,450.861,4.357,5,0.382,0.8,1.0,0.5231735316290864,0.715492426838462,0.8626293605647317,0.8372112946336783,0.7346266534164896
EOS-2-02193,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cc2)no1,ULIRKFKKLHGFOH-UHFFFAOYSA-N,2,1,0.649,91,273,450.861,4.564,5,0.374,0.74,1.0,0.8782468645055171,0.8796347063258173,0.6893033376739086,0.7013655678157769,0.787137619080255
EOS-2-02194,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)o1,FAFJONFPCKAJKX-UHFFFAOYSA-N,2,1,0.568,84,749,450.861,4.564,5,0.374,0.74,1.0,0.8633489822493318,0.8714618600507162,0.7000633952436434,0.6958741690082928,0.7826871016379959
EOS-2-02195,COc1cc(-c2nnc3cncc(Oc4cc(F)ccc4Cl)n23)ccc1-c1ccn(C)n1,WKTGURWGMPBIAO-UHFFFAOYSA-N,2,1,0.5,13,209,450.861,4.785,5,0.383,0.72,1.0,0.5488571722294565,0.7014255362894936,0.859682338427798,0.8064903022411075,0.7291138372969639
EOS-2-02196,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)o1,TUTKMSYKWRRLCS-UHFFFAOYSA-N,2,1,0.567,84,672,450.861,4.564,5,0.374,0.69,1.0,0.8741604413679666,0.890086354602152,0.7284627510108971,0.7178568980878623,0.8026416112672194
EOS-2-02197,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)o1,QBGMBAODXDXGMO-UHFFFAOYSA-N,2,1,0.738,84,360,450.861,4.564,5,0.374,0.74,1.0,0.9403056678774587,0.9044702213693373,0.7511051333013501,0.7230570214515798,0.8297345109999315
EOS-2-02198,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,NHMXCUYEUPODSI-UHFFFAOYSA-N,2,1,0.561,4,10,450.861,4.83,5,0.378,0.74,1.0,0.7083133438420944,0.8262713316427935,0.6784918785552738,0.6609982180796381,0.71851869302995
EOS-2-02199,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)no1,NXBFYNAIPHVUHO-UHFFFAOYSA-N,2,1,0.593,91,803,450.861,4.564,5,0.374,0.74,1.0,0.7910612706462888,0.7821431019121377,0.6358971283668015,0.6667037900075389,0.7189513227331917
EOS-2-02200,OCc1cc(-c2nnc3cncc(OCc4ccnn4-c4cccc(F)c4)n23)ccc1Cl,AFBNUAKSXICODW-UHFFFAOYSA-N,2,1,0.473,43,612,450.861,3.841,5,0.422,0.72,1.0,0.48755225824138165,0.7014341032143102,0.85054999657323,0.8604276608868481,0.7249910047289425
EOS-2-02201,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)o1,YTBKPBBSWKKYFY-UHFFFAOYSA-N,2,1,0.738,84,360,450.861,4.564,5,0.374,0.75,1.0,0.9411023918854088,0.904478788294154,0.7511137002261669,0.7230655883763965,0.8299401171955315
EOS-2-02202,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)o1,LTIAAYNSPWHYED-UHFFFAOYSA-N,2,1,0.553,35,429,450.861,4.564,5,0.374,0.7,1.0,0.9585617846617778,0.897616681516003,0.757633130011651,0.744328695771366,0.8395350729901994
EOS-2-02203,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)o1,VTHMPUUGGWVFOS-UHFFFAOYSA-N,2,1,0.757,91,781,450.861,4.564,5,0.374,0.79,1.0,0.9547238023439106,0.9384894798163251,0.7284713179357138,0.7205554794051128,0.8355600198752657
EOS-2-02204,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,IQWLXJIVWGSVMH-UHFFFAOYSA-N,2,1,0.58,59,214,450.861,4.83,5,0.378,0.79,1.0,0.7938969227606059,0.8504214927009801,0.6893119045987253,0.6667123569323555,0.7500856692481667
EOS-2-02205,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)o1,DLTNWHUXYDUUST-UHFFFAOYSA-N,2,1,0.757,91,781,450.861,4.564,5,0.374,0.79,1.0,0.955589061750394,0.9370759372215749,0.7284798848605305,0.717865465012679,0.8347525872112946
EOS-2-02206,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCc4c(F)ccnc4Cl)n23)c1,FYKQNPZEWJUQMO-UHFFFAOYSA-N,2,1,0.429,2,36,450.865,3.662,5,0.377,0.69,1.0,0.4419076828181756,0.4520680556507436,0.6002244534301967,0.5685353985333425,0.5156838976081146
EOS-2-02207,Cc1cc(-c2nnc3cncc(OCc4cnnc(-c5cnn(C)c5F)c4)n23)ccc1Cl,UMNHEPFIIWUVJC-UHFFFAOYSA-N,2,1,0.494,36,659,450.865,3.662,5,0.403,0.68,1.0,0.5461671578370229,0.7062401480364608,0.6392553628949352,0.6261822356247002,0.6294612260982798
EOS-2-02208,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1F,JTOWZXXXSNPUFX-UHFFFAOYSA-N,2,1,0.588,37,626,450.865,3.396,5,0.366,0.66,1.0,0.8995870742238367,0.8769275580837502,0.5412583099170721,0.5748063874991433,0.7231448324309505
EOS-2-02209,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c(F)c2)n1,KQOSXFCLRZUONT-UHFFFAOYSA-N,2,1,0.684,91,258,450.865,3.396,5,0.391,0.7,1.0,0.7626447810294017,0.8535912548831471,0.48972825714481527,0.57481495442396,0.6701948118703309
EOS-2-02210,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)ccc2F)cn1,RSNCIXKJEUEMEG-UHFFFAOYSA-N,2,1,0.512,20,394,450.865,3.396,5,0.391,0.68,1.0,0.7143016242889453,0.7565365636351176,0.5646631485162086,0.5748235213487767,0.652581214447262
EOS-2-02211,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccc2F)cn1,QYGCOVNSPVQVTQ-UHFFFAOYSA-N,2,1,0.506,20,394,450.865,3.396,5,0.391,0.68,1.0,0.6991124665889932,0.7291309711465972,0.5481289836200397,0.5716794599410595,0.6370129703241724
EOS-2-02212,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,FPJNYOGQCPKPTG-UHFFFAOYSA-N,2,1,0.406,2,905,450.865,3.836,5,0.388,0.64,1.0,0.5757744500034268,0.49700157631416625,0.6674919470906723,0.6411143855801521,0.5953455897471044
EOS-2-02213,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cc2)n1,XBWVZKWBAVJGTF-UHFFFAOYSA-N,2,1,0.649,91,258,450.865,3.396,5,0.391,0.69,1.0,0.8128383935302583,0.8438163936673292,0.5310379686107874,0.577907614282777,0.6914000925227881
EOS-2-02214,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cnn1,QRBSQVNMTDVLKB-UHFFFAOYSA-N,2,1,0.5,37,672,450.865,3.396,5,0.391,0.65,0.999,0.5757830169282434,0.6232609142622164,0.612260982797615,0.646845658282503,0.6145376430676445
EOS-2-02215,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nc2)cn1,IGRHVJOJPNPUEV-UHFFFAOYSA-N,2,1,0.436,18,773,450.865,3.396,5,0.366,0.68,1.0,0.5961380302926461,0.5470324172435063,0.6002330203550134,0.5748320882735933,0.5795588890411898
EOS-2-02216,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccc(Cl)nc1,NWHVDLKDJUAHRP-UHFFFAOYSA-N,2,1,0.483,95,493,450.865,3.396,5,0.366,0.7,1.0,0.5001884723459666,0.49182715372489894,0.4929922554999657,0.5158231101363855,0.5002077479268042
EOS-2-02217,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1cnccc1F,ORZCIGYQMJXKSZ-UHFFFAOYSA-N,2,1,0.478,95,493,450.865,3.396,5,0.366,0.67,1.0,0.4701014323898293,0.44326982386402575,0.49641902542663285,0.5426204509629223,0.4881026831608526
EOS-2-02218,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c(Cl)c1,XFLQLIWAMSUWOY-UHFFFAOYSA-N,2,1,0.563,37,626,450.865,3.396,5,0.366,0.67,1.0,0.65029812898362,0.7014426701391269,0.5968662189020629,0.6206480021931328,0.6423137550544857
EOS-2-02219,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,LVDMJFRJQULZLB-UHFFFAOYSA-N,2,1,0.423,2,905,450.865,3.836,5,0.363,0.61,0.989,0.5561561921732575,0.48260057569734766,0.6480878623809198,0.6053217736961141,0.5730416009869097
EOS-2-02220,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)cn1,XUPQPJJTCUTPPO-UHFFFAOYSA-N,2,1,0.462,55,329,450.865,3.836,5,0.363,0.63,1.0,0.4490267973408265,0.4166523884586389,0.5903896237406621,0.5520612021108903,0.5020325029127545
EOS-2-02221,Cn1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccn2)cc1Cl,ADHNUHCQMYSONB-UHFFFAOYSA-N,2,1,0.542,75,241,450.865,3.396,5,0.366,0.59,1.0,0.6595504077856212,0.6764957850729902,0.48646425878966487,0.4893427455280652,0.5779632992940853
EOS-2-02222,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)n1,ISPBKCQMGCYYKX-UHFFFAOYSA-N,2,1,0.61,59,294,450.865,3.836,5,0.388,0.77,1.0,0.5561647590980742,0.6716811733260228,0.472457336714413,0.5087725310122678,0.5522689500376944
EOS-2-02223,CCn1cc(-c2cnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)cn1,NDLFBKORRPEGOC-UHFFFAOYSA-N,2,1,0.58,46,294,450.865,3.836,5,0.388,0.66,1.0,0.48521348776643136,0.4565485573298609,0.5777876773353438,0.5872198615584949,0.5266923959975327
EOS-2-02224,CCn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)n2)cn1,VPZAOIHPDIHOIL-UHFFFAOYSA-N,2,1,0.5,73,399,450.865,3.836,5,0.388,0.73,1.0,0.5051658556644507,0.6474025083955863,0.5412668768418888,0.5555393735864574,0.5623436536220958
EOS-2-02225,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccn1,DUJQWNFZRTZAHW-UHFFFAOYSA-N,2,1,0.495,75,819,450.865,3.396,5,0.366,0.64,1.0,0.6750993763278733,0.5998475087382633,0.49997429922555,0.49245253923651566,0.5668434308820506
EOS-2-02226,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1F,SGBJXWRUSGXQKI-UHFFFAOYSA-N,2,1,0.5,37,482,450.865,3.396,5,0.391,0.69,1.0,0.7739359879377699,0.7476355287505997,0.5141696936467686,0.5387996024946885,0.6436352032074567
EOS-2-02227,Cc1c(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)cnn1C,NMNWFIUSMYRWIL-UHFFFAOYSA-N,2,1,0.517,73,399,450.865,3.662,5,0.403,0.72,1.0,0.5001970392707834,0.7386830923171819,0.5178877390172024,0.5189671715441025,0.5689337605373176
EOS-2-02228,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)nn1,NTHZHPPLERJJPP-UHFFFAOYSA-N,2,1,0.687,84,360,450.865,3.396,5,0.391,0.78,1.0,0.7236738400383799,0.7386916592419985,0.5777962442601604,0.5992221232266466,0.6598459666917964
EOS-2-02229,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1F,GQWPIOAWHWCBOB-UHFFFAOYSA-N,2,1,0.511,37,639,450.865,3.396,5,0.366,0.65,1.0,0.7711174696730861,0.7864351312452882,0.4221780549653896,0.47139503803714616,0.6127814234802276
EOS-2-02230,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cn2)cn1,DIWPZOCHJGELOA-UHFFFAOYSA-N,2,1,0.516,65,468,450.865,3.396,5,0.366,0.66,1.0,0.6562607086560208,0.6962511137002262,0.5968747858268796,0.5685439654581591,0.6294826434103215
EOS-2-02231,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)n1,ITOGQDWGYBYDBG-UHFFFAOYSA-N,2,1,0.778,91,781,450.865,3.396,5,0.391,0.76,1.0,0.865430744979782,0.8535998218079638,0.5549739565485573,0.5934908505242958,0.7168738434651497
EOS-2-02232,FCc1nc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5ccncn5)c4)n23)[nH]1,NQXMRPLPNBEEGI-UHFFFAOYSA-N,2,1,0.441,15,438,450.865,3.716,5,0.402,0.54,1.0,0.6595589747104379,0.5656397779453087,0.3633575491741485,0.41769755328627234,0.5015634637790418
EOS-2-02233,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cc2)n1,PFAQRJFXQPJGSO-UHFFFAOYSA-N,2,1,0.608,91,258,450.865,3.396,5,0.391,0.73,1.0,0.8101912137619081,0.8628349667603317,0.5278596395038038,0.5872284284833116,0.6970285621273388
EOS-2-02234,Cn1ccc(-c2cnc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)n1,FFKPXUZICBIIIZ-UHFFFAOYSA-N,2,1,0.612,95,381,450.865,3.396,5,0.391,0.56,1.0,0.6627887053663217,0.5422092385717223,0.5379514769378384,0.5555479405112741,0.5746243403467891
EOS-2-02235,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)c1F,OKOKTOJKKONUDB-UHFFFAOYSA-N,2,1,0.542,75,329,450.865,3.396,5,0.366,0.67,1.0,0.5988280446850799,0.5517442258926736,0.5412754437667056,0.5255208690288534,0.5543421458433281
EOS-2-02236,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccc(Cl)nc1,AQYNWVOGLGHVRK-UHFFFAOYSA-N,2,1,0.462,95,493,450.865,3.396,5,0.366,0.65,1.0,0.47010999931464603,0.48260914262216437,0.5141782605715852,0.5488143376053731,0.5039279350284422
EOS-2-02237,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)ccn2)cn1,YRICTMLDUBIZBZ-UHFFFAOYSA-N,2,1,0.505,75,329,450.865,3.396,5,0.391,0.68,1.0,0.5676101706531423,0.5611678431910082,0.5807775340963608,0.565168597080392,0.5686810362552258
EOS-2-02238,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccc(F)nc1,UPBKUCZDDRCOFX-UHFFFAOYSA-N,2,1,0.467,95,493,450.865,3.396,5,0.366,0.7,1.0,0.510134672058118,0.45655712425467754,0.5071962168460009,0.5326571174011376,0.5016362826399835
EOS-2-02239,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cncc(F)c1,GUNNNUJXZCPACS-UHFFFAOYSA-N,2,1,0.457,95,493,450.865,3.396,5,0.366,0.71,1.0,0.5101432389829347,0.430008224247824,0.4964275923514495,0.542629017887739,0.49480201836748683
EOS-2-02240,Cn1c(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)n[nH]c1=N,YWNLOUCQXACZTN-UHFFFAOYSA-N,2,1,0.512,43,521,450.865,3.371,5,0.426,0.65,1.0,0.49003666643821536,0.5563018298951409,0.5807861010211774,0.6116955657597148,0.5597050407785621
EOS-2-02241,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)cn1,XNBDPBHPFRVCOB-UHFFFAOYSA-N,2,1,0.489,65,349,450.865,3.396,5,0.366,0.62,1.0,0.5785672674936605,0.5470409841683229,0.6566719210472209,0.6261908025495169,0.6021177438146803
EOS-2-02242,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1cncc(Cl)c1,MLFKWJJQCCEVLB-UHFFFAOYSA-N,2,1,0.429,95,235,450.865,3.396,5,0.391,0.7,0.999,0.4490353642656432,0.41200911520800493,0.3786837776711672,0.45892159550407785,0.42466246316222334
EOS-2-02243,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)nn1,LZNXBUCMWNSXDU-UHFFFAOYSA-N,2,1,0.529,84,749,450.865,3.396,5,0.391,0.69,0.999,0.6242375436913166,0.6765043519978069,0.5141868274964019,0.5685525323829758,0.5958703138921253
EOS-2-02244,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)c1,RRKDAVXYCIDOJC-UHFFFAOYSA-N,2,1,0.57,37,626,450.865,3.396,5,0.366,0.71,1.0,0.8180128161195257,0.7906928928791721,0.5278682064286204,0.5520697690357069,0.6721609211157563
EOS-2-02245,Cn1nc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1-c1ccc(F)nc1,XCDXBEUTVCJMRE-UHFFFAOYSA-N,2,1,0.462,95,493,450.865,3.396,5,0.366,0.68,1.0,0.4653810568158454,0.46523541909396204,0.5178963059420191,0.5555565074360908,0.5010173223219793
EOS-2-02246,CCn1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2F)n1,QBINIVSESCIFOL-UHFFFAOYSA-N,2,1,0.43,16,610,450.865,3.836,5,0.363,0.75,1.0,0.5844441779178946,0.6093053937358646,0.4221866218902063,0.4396888492906586,0.513906260708656
EOS-2-02247,FCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)cn1,DXGUKHKTXCPCTF-UHFFFAOYSA-N,2,1,0.421,55,468,450.865,3.647,5,0.349,0.71,1.0,0.4490439311904599,0.47861695565759715,0.46916763758481256,0.47428209170036323,0.4677776540333082
EOS-2-02248,FCCn1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,UTJYNPGRYITYIZ-UHFFFAOYSA-N,2,1,0.381,46,711,450.865,3.647,5,0.373,0.69,1.0,0.369919813583716,0.3009303680350901,0.4619371530395449,0.4834658351038311,0.4040632924405455
EOS-2-02249,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)cn1,DDHDEYZFKBBXKB-UHFFFAOYSA-N,2,1,0.511,37,482,450.865,3.396,5,0.391,0.68,1.0,0.690040093208142,0.7604773490507847,0.5345332739359879,0.5588290727160579,0.6359699472277431
EOS-2-02250,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c1F,WMBVNUIXUNWXKJ-UHFFFAOYSA-N,2,1,0.511,65,349,450.865,3.396,5,0.391,0.66,1.0,0.5731272702350764,0.5330683297923378,0.60024158727983,0.5992306901514632,0.5764169693646768
EOS-2-02251,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)n1,STHWAMVRGLHNGW-UHFFFAOYSA-N,2,1,0.558,37,619,450.865,3.396,5,0.391,0.65,1.0,0.7769344116236035,0.8107394969501748,0.5141953944212185,0.5426375848125556,0.6611267219518882
EOS-2-02252,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1-c1cncnc1,WHALXRJIULPEAK-UHFFFAOYSA-N,2,1,0.484,95,998,450.865,3.396,5,0.391,0.67,0.998,0.4628024124460284,0.45207662257556025,0.5646717154410252,0.6147710917688987,0.5235804605578782
EOS-2-02253,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)n1,OZZSJKJLZKGZCL-UHFFFAOYSA-N,2,1,0.588,37,669,450.865,3.396,5,0.366,0.68,1.0,0.8207456651360427,0.8404324583647453,0.5179048728668357,0.5255294359536701,0.6761531080803235
EOS-2-02254,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c1,LYAWYPWRWYOCAB-UHFFFAOYSA-N,2,1,0.49,65,905,450.865,3.396,5,0.366,0.59,1.0,0.6562692755808375,0.59985607566308,0.6268247549859502,0.6085686382016311,0.6228796861078747
EOS-2-02255,Cn1nc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1-c1cncnc1,ZTEPFXGZULHKSQ-UHFFFAOYSA-N,2,1,0.5,95,998,450.865,3.396,5,0.391,0.72,0.987,0.4779059008978137,0.4300167911726407,0.5310465355356041,0.5902782537180453,0.507311870331026
EOS-2-02256,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2)n1,MOOAKWHSMNEFAW-UHFFFAOYSA-N,2,1,0.561,15,320,450.865,3.396,5,0.366,0.66,1.0,0.8049910903981906,0.7987715029812898,0.5209718319512028,0.505671304228634,0.6576014323898294
EOS-2-02257,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc2F)n1,AFDWTFRPOYXKET-UHFFFAOYSA-N,2,1,0.446,58,578,450.865,3.396,5,0.366,0.65,1.0,0.6386128435336852,0.5611764101158249,0.4930008224247824,0.48935131245288194,0.5455353471317936
EOS-2-02258,CCn1nc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,UCZQYKLITUQEKN-UHFFFAOYSA-N,2,1,0.506,73,446,450.865,3.836,5,0.388,0.7,1.0,0.4235316290864231,0.627912754437667,0.19283291069837571,0.3251062298677267,0.39234588102254814
EOS-2-02259,Cn1nc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1ccc(Cl)cc1F,NGEVUTDUVDXGGB-UHFFFAOYSA-N,2,1,0.467,95,835,450.865,3.396,5,0.391,0.69,1.0,0.48020183674868067,0.482617709546981,0.34435610993077925,0.43677609485299157,0.4359879377698581
EOS-2-02260,Cn1nc(-c2nnc3cncc(OCCc4cc(F)nc(Cl)c4)n23)cc1-c1ccccn1,BKBNQQDAJXEIQY-UHFFFAOYSA-N,2,1,0.46,95,493,450.865,3.396,5,0.366,0.63,1.0,0.5307381262422041,0.41666095538345554,0.37472585840586664,0.41770612021108905,0.4349577650606538
EOS-2-02261,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1-c1cncnc1,WLFCJSLOYVXQAT-UHFFFAOYSA-N,2,1,0.602,95,381,450.865,3.396,5,0.391,0.7,1.0,0.5461757247618395,0.4389949283805085,0.5936364882461792,0.6206565691179494,0.5498659276266192
EOS-2-02262,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2)n[nH]1,DXZGZGBVNCLPHD-UHFFFAOYSA-N,2,1,0.541,47,320,450.865,3.694,5,0.393,0.68,1.0,0.9136796655472551,0.8536083887327804,0.5243386334041532,0.5123363717360017,0.7009907648550475
EOS-2-02263,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(F)c1,KGWCCFUGFHBPSF-UHFFFAOYSA-N,2,1,0.424,51,196,450.865,3.836,5,0.388,0.67,1.0,0.67510794325269,0.6327702008087177,0.489736824069632,0.4924611061613323,0.5725190185730931
EOS-2-02264,CCn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,XDPQSGHHTWWWSH-UHFFFAOYSA-N,2,1,0.5,34,446,450.865,3.836,5,0.388,0.7,1.0,0.4166181207593722,0.6327787677335344,0.14199677883626893,0.2730964293057364,0.36612252415872804
EOS-2-02265,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cc2)n1,AMXDEYLLRZUMMY-UHFFFAOYSA-N,2,1,0.608,91,258,450.865,3.396,5,0.391,0.68,1.0,0.807766774038791,0.8654221780549654,0.5278767733534371,0.5843242409704612,0.6963474916044137
EOS-2-02266,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)c(F)cn4)n23)cn1,CHOQZFUUYHDUKI-UHFFFAOYSA-N,2,1,0.472,92,469,450.865,3.662,5,0.403,0.72,1.0,0.44905249811527653,0.5239959564114866,0.544719347543006,0.5087810979370845,0.5066372250017134
EOS-2-02267,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1F,HFEZFRIEAHMCMK-UHFFFAOYSA-N,2,1,0.57,37,125,450.865,3.396,5,0.366,0.64,1.0,0.7654547323692688,0.7821516688369543,0.6093910629840312,0.6351089712836681,0.6980266088684806
EOS-2-02268,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,JIIPPTWLGJCOAC-UHFFFAOYSA-N,2,1,0.778,91,781,450.865,3.396,5,0.391,0.79,1.0,0.8383335617846618,0.8739805359468166,0.5514700842985402,0.6117041326845316,0.7188720786786376
EOS-2-02269,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1,WYXVLCDRZDAQJL-UHFFFAOYSA-N,2,1,0.568,15,187,450.865,3.396,5,0.366,0.68,1.0,0.8856572544719348,0.8146460146665753,0.5278853402782537,0.5388081694195052,0.6917491947090672
EOS-2-02270,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(F)c(Cl)c4)n23)cc1,ADZYOLXOLQTVDQ-UHFFFAOYSA-N,2,1,0.568,15,187,450.865,3.396,5,0.366,0.69,1.0,0.8856658213967514,0.8262798985676102,0.5310551024604208,0.5426461517373724,0.6964117435405387
EOS-2-02271,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4Cl)n23)cc1,XCFPMLLGBVWAHY-UHFFFAOYSA-N,2,1,0.575,15,187,450.865,3.396,5,0.366,0.62,1.0,0.8893924336920019,0.8224247824001096,0.4793622781166472,0.5056798711534508,0.6742148413405524
EOS-2-02272,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)nc(Cl)c4)n23)nc1,NZDNUHNIUMLDMH-UHFFFAOYSA-N,2,1,0.461,31,773,450.865,3.396,5,0.366,0.71,1.0,0.7684103214310192,0.5803748886299774,0.5579209786854911,0.5357412103351381,0.6106118497704064
EOS-2-02273,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)cn2)c1,KZJSZSNAKFHLJQ-UHFFFAOYSA-N,2,1,0.511,65,823,450.865,3.396,5,0.366,0.55,1.0,0.8357634843396614,0.836782948392845,0.5105630182989515,0.5123449386608183,0.6738635974230691
EOS-2-02274,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cn2)c1,ZFEFEKURXXNERL-UHFFFAOYSA-N,2,1,0.516,65,823,450.865,3.396,5,0.366,0.59,1.0,0.8152628332533753,0.8262884654924268,0.5481375505448565,0.5255380028784867,0.6788067130422863
EOS-2-02275,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccn2)n1,PSOLRVSJMZGRSE-UHFFFAOYSA-N,2,1,0.61,37,749,450.865,3.396,5,0.391,0.64,1.0,0.6562778425056541,0.6571174011376876,0.45854465081214446,0.512353505585635,0.5710733500102803
EOS-2-02276,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ncn2)cn1,RPWWMNCNBUDYED-UHFFFAOYSA-N,2,1,0.483,44,749,450.865,3.396,5,0.391,0.63,0.999,0.5256579398259201,0.47405935165512986,0.5807946679459941,0.5992392570762799,0.544937804125831
EOS-2-02277,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1,ZBRPNPHVAUMBKH-UHFFFAOYSA-N,2,1,0.653,91,447,450.865,3.396,5,0.391,0.73,1.0,0.7739445548625865,0.8472945651428964,0.5105715852237681,0.5902868206428621,0.6805243814680283
EOS-2-02278,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccc2F)cn1,PWQJHMFTYUHVSQ-UHFFFAOYSA-N,2,1,0.473,36,394,450.865,3.836,5,0.388,0.67,1.0,0.48756082516619836,0.6141200054828319,0.5412840106915222,0.5488229045301899,0.5479469364676856
EOS-2-02279,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1,OQLDCVICOBZBRE-UHFFFAOYSA-N,2,1,0.608,91,447,450.865,3.396,5,0.391,0.79,1.0,0.7854842025906381,0.8821019806730176,0.5243472003289699,0.6085772051264479,0.7001276471797684
EOS-2-02280,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)cc1,CIUZSYFMOZEHNC-UHFFFAOYSA-N,2,1,0.649,91,402,450.865,3.396,5,0.391,0.75,1.0,0.7626533479542184,0.865430744979782,0.5278939072030704,0.5992478240010966,0.6888064560345419
EOS-2-02281,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c(F)c1,BYGULDMLMVIYHI-UHFFFAOYSA-N,2,1,0.684,91,402,450.865,3.396,5,0.391,0.8,1.0,0.7447656089370159,0.8714704269755329,0.4864728257144815,0.5963008018641628,0.6747524158727983
EOS-2-02282,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,VVCVFLMOLURULF-UHFFFAOYSA-N,2,1,0.778,91,781,450.865,3.396,5,0.391,0.79,1.0,0.8383421287094784,0.8739891028716332,0.5514786512233568,0.6117126996093483,0.7188806456034542
EOS-2-02283,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1,YIZKFSNINFHPSY-UHFFFAOYSA-N,2,1,0.625,91,803,450.865,3.396,5,0.391,0.75,1.0,0.782648550476321,0.8654393119045988,0.48974539099444864,0.5811801795627441,0.6797533582345281
EOS-2-02284,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1,DFFHYNNXIZAQIC-UHFFFAOYSA-N,2,1,0.608,91,447,450.865,3.396,5,0.391,0.74,1.0,0.7854927695154548,0.8874477417586183,0.5243557672537866,0.6021948461380303,0.6998727811664724
EOS-2-02285,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cn2)n1,YIEYVTLYLNLEAI-UHFFFAOYSA-N,2,1,0.5,58,954,450.865,3.396,5,0.366,0.63,1.0,0.7052463847577274,0.7200928654650127,0.4514598039887602,0.44928380508532656,0.5815207148242068
EOS-2-02286,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,ALNYZGKWCWUZSJ-UHFFFAOYSA-N,2,1,0.687,84,360,450.865,3.396,5,0.391,0.69,0.998,0.7083219107669111,0.7476440956754163,0.5808032348708108,0.6053303406209307,0.6605248954835172
EOS-2-02287,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nc1F,DGKOHLQYPQILGU-UHFFFAOYSA-N,2,1,0.441,31,773,450.865,3.396,5,0.366,0.66,1.0,0.7298934274552806,0.6190631211020492,0.5379600438626551,0.5326656843259544,0.6048955691864848
EOS-2-02288,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1F,IPQIXPQPLGAQDG-UHFFFAOYSA-N,2,1,0.595,37,669,450.865,3.396,5,0.366,0.65,1.0,0.8838496333356178,0.8769361250085669,0.527902474127887,0.5588376396408745,0.7118814680282365
EOS-2-02289,Cn1ncc(-c2nnc3cncc(OCCc4cnccn4)n23)c1-c1ccc(Cl)c(F)c1,XQLQDFZHKKPGIV-UHFFFAOYSA-N,2,1,0.517,20,658,450.865,3.396,5,0.391,0.66,1.0,0.5002056061956001,0.4918357206497156,0.4654067575902954,0.5290675759029538,0.49662891508464124
EOS-2-02290,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)nc2F)n1,JYMUSLMZSZDSEJ-UHFFFAOYSA-N,2,1,0.533,19,442,450.865,3.396,5,0.366,0.68,0.989,0.6213847577273662,0.632787334658351,0.3895723391131519,0.4525820711397437,0.5240816256596532
EOS-2-02291,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)[nH]c1F,COKSOOUPJODVHU-UHFFFAOYSA-N,2,1,0.505,75,239,450.865,3.694,5,0.42,0.48,0.984,0.717454252621479,0.7014512370639435,0.4145706257281886,0.44293571379617575,0.5691029573024468
EOS-2-02292,Cn1nc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cc1-c1cccc(F)c1,MZAGSJODMXPSNN-UHFFFAOYSA-N,2,1,0.468,95,835,450.865,3.396,5,0.391,0.71,0.98,0.41891405661023917,0.4120176821328216,0.36336611609896513,0.45259063806456035,0.4117221232266466
EOS-2-02293,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)c(Cl)c5)nc4)n23)cn1,JYMXMOVTEXJOBM-UHFFFAOYSA-N,2,1,0.5,65,468,450.865,3.396,5,0.366,0.71,0.963,0.6270560619560003,0.6962596806250428,0.564680282365842,0.5555650743609074,0.6108902748269481
EOS-2-02294,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cn1,XDUWFLDEBODWDD-UHFFFAOYSA-N,2,1,0.5,87,510,450.865,3.396,5,0.366,0.65,1.0,0.762661914879035,0.7432835309437325,0.4006836406003701,0.41150366664382154,0.5795331882667398
EOS-2-02295,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)[nH]c1F,KIGZKYWJEYFCPH-UHFFFAOYSA-N,2,1,0.48,87,304,450.865,3.694,5,0.42,0.61,0.993,0.6781663354122405,0.7565451305599342,0.4078627235967377,0.4367846617778082,0.5698397128366802
EOS-2-02296,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)nn2)cn1,YTGWSNNTYLHJKV-UHFFFAOYSA-N,2,1,0.605,54,44,450.865,3.396,5,0.391,0.78,0.999,0.6840261119868412,0.5751147967925434,0.5936450551709959,0.6117212665341649,0.6161268076211364
EOS-2-02297,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1F,FZUZPMKVCKFNBP-UHFFFAOYSA-N,2,1,0.5,20,279,450.865,3.396,5,0.391,0.63,1.0,0.7711260365979028,0.8146545815913919,0.42219518881502294,0.4620742238366116,0.6175125077102324
EOS-2-02298,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)n4)n23)cc1-c1ccc(Cl)cc1,JMAMSTRLWOXVFX-UHFFFAOYSA-N,2,1,0.467,95,835,450.865,3.396,5,0.391,0.68,1.0,0.49486841203481596,0.5014392433692002,0.3669470906723323,0.4589301624288945,0.45554622712631077
EOS-2-02299,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1Cl,OEPOZDGUCKXYHA-UHFFFAOYSA-N,2,1,0.553,37,161,450.865,3.396,5,0.391,0.62,1.0,0.6991210335138098,0.8301350147351106,0.5379686107874717,0.5811887464875608,0.6621033513809882
EOS-2-02300,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccc2F)n1,WRWQOGATPUJABI-UHFFFAOYSA-N,2,1,0.539,37,589,450.865,3.396,5,0.391,0.6,0.993,0.7143101912137619,0.8107480638749914,0.45511788088547733,0.5056884380782675,0.6214661435131246
EOS-2-02301,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)nc1,FBDBIABORRHXPF-UHFFFAOYSA-N,2,1,0.495,84,442,450.865,3.396,5,0.391,0.57,1.0,0.5409756013981222,0.5701374134740593,0.5680556507436091,0.6053389075457474,0.5711268932903846
EOS-2-02302,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cn1,FDLOBVVRIGUROX-UHFFFAOYSA-N,2,1,0.529,84,749,450.865,3.396,5,0.391,0.64,0.999,0.610170653142348,0.6814474676170242,0.5209803988760194,0.5779161812075937,0.5976286752107463
EOS-2-02303,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cn1,UJYXQANRZRLJHF-UHFFFAOYSA-N,2,1,0.527,84,672,450.865,3.396,5,0.391,0.61,1.0,0.6213933246521829,0.72459906791858,0.554982523473374,0.5992563909259132,0.6250578267425124
EOS-2-02304,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,FBHJMYRRLWCKPN-UHFFFAOYSA-N,2,1,0.687,84,360,450.865,3.396,5,0.391,0.73,0.998,0.7083304776917277,0.7521074635049003,0.5808118017956274,0.6085857720512645,0.6624588787608799
EOS-2-02305,Cn1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)c1Cl,VRRQKWCTLALJPY-UHFFFAOYSA-N,2,1,0.419,18,194,450.865,3.396,5,0.366,0.54,1.0,0.647436776094853,0.5998646425878966,0.5936536220958125,0.5992649578507299,0.610054999657323
EOS-2-02306,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nc1,URVWQXQIHWZADS-UHFFFAOYSA-N,2,1,0.595,84,308,450.865,3.396,5,0.391,0.67,1.0,0.6386214104585018,0.5857035158659447,0.5936621890206292,0.6147796586937153,0.6081916935096978
EOS-2-02307,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cn1,IFOPRVAJCBUXSY-UHFFFAOYSA-N,2,1,0.527,84,672,450.865,3.396,5,0.391,0.66,1.0,0.6214018915769995,0.7201014323898294,0.5549910903981906,0.602203413062847,0.6246744568569665
EOS-2-02308,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nc(Cl)ccc5F)n34)cn2)n1,RQHNIOFHBHKWJP-UHFFFAOYSA-N,2,1,0.479,58,954,450.865,3.396,5,0.366,0.62,1.0,0.705254951682544,0.7340055513672812,0.4078712905215544,0.4274467137276403,0.568644626824755
EOS-2-02309,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)[nH]c1F,KOONCXKIDMHNLV-UHFFFAOYSA-N,2,1,0.517,75,239,450.865,3.694,5,0.393,0.5,1.0,0.7882855870056884,0.7155009937632787,0.4828061818929477,0.4834744020286478,0.6175167911726406
EOS-2-02310,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c(Cl)n2)n1,VITCVYCJQXDGKT-UHFFFAOYSA-N,2,1,0.5,58,24,450.865,3.396,5,0.366,0.6,1.0,0.632556027688301,0.6765129189226236,0.39700842985401963,0.4337605373175245,0.5349594784456172
EOS-2-02311,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c(Cl)n2)c1,DTPDSKQMUCVMOC-UHFFFAOYSA-N,2,1,0.479,58,24,450.865,3.396,5,0.366,0.63,1.0,0.693004249194709,0.752116030429717,0.37085360838873277,0.4080768967171544,0.5560126961825783
EOS-2-02312,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cn2)c1,DUBPNJSFOWBRHY-UHFFFAOYSA-N,2,1,0.5,58,579,450.865,3.396,5,0.366,0.67,0.999,0.7994654238914399,0.8146631485162086,0.4724659036392297,0.46829381125351244,0.6387220718250977
EOS-2-02313,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(Cl)c4)n23)cn1,RJQJLPUKKAQVIK-UHFFFAOYSA-N,2,1,0.462,55,283,450.865,3.662,5,0.377,0.69,1.0,0.5357840449592214,0.5377887053663217,0.5680642176684257,0.5158316770612021,0.5393671612637927
EOS-2-02314,CCn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,TWIXHNSHNURNBC-UHFFFAOYSA-N,2,1,0.542,73,32,450.865,3.836,5,0.388,0.64,1.0,0.5561733260228908,0.7062487149612775,0.267382290453019,0.370253923651566,0.47501456377218837
EOS-2-02315,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1F,XAHAHUVTRDNSPL-UHFFFAOYSA-N,2,1,0.539,37,563,450.865,3.396,5,0.391,0.72,1.0,0.7739531217874032,0.8031063669385238,0.45512644781029404,0.5056970050030841,0.6344707353848263
EOS-2-02316,Cc1nnc(-c2cncn2C)cc1COc1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,ZXGVFSHMPSUNHB-UHFFFAOYSA-N,2,1,0.535,36,391,450.865,3.662,5,0.403,0.68,1.0,0.6214104585018162,0.7291395380714139,0.5646888492906587,0.5716880268658763,0.6217317181824412
EOS-2-02317,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1,OKERSSJRWZZCOG-UHFFFAOYSA-N,2,1,0.494,36,734,450.865,3.836,5,0.388,0.68,1.0,0.6101792200671647,0.5611849770406415,0.44063977794530873,0.47731478308546366,0.5223296895346446
EOS-2-02318,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c(F)c1,YRNNUWPXGGSWJS-UHFFFAOYSA-N,2,1,0.529,36,908,450.865,3.836,5,0.388,0.68,1.0,0.5435713796175725,0.6765214858474402,0.47247447056404634,0.5189757384689192,0.5528857686244946
EOS-2-02319,Cn1nc(-c2ccc(F)cn2)cc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,VEGMOZWAGILYTK-UHFFFAOYSA-N,2,1,0.462,95,773,450.865,3.396,5,0.366,0.59,1.0,0.4827033787951477,0.4478702624905764,0.41095538345555477,0.46504694674799535,0.45164399287231854
EOS-2-02320,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cc2F)n1,HWDZVGPKVYVKHF-UHFFFAOYSA-N,2,1,0.5,37,795,450.865,3.396,5,0.366,0.7,1.0,0.7207525186758961,0.7521245973545336,0.4183914741964225,0.4556575971489274,0.5867315468439449
EOS-2-02321,CCn1cnnc1-c1cccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)n1,QCJHKLKKNPWHDZ-UHFFFAOYSA-N,2,1,0.478,34,877,450.865,3.836,5,0.388,0.64,1.0,0.47791446782263036,0.5563103968199575,0.3188695086011925,0.4177146871359057,0.4427022650949215
EOS-2-02322,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)n1C,PKGWPBOKXYOEOQ-UHFFFAOYSA-N,2,1,0.535,36,391,450.865,3.662,5,0.403,0.8,1.0,0.5731358371598931,0.782160235761771,0.3224076485504763,0.39558632033445273,0.5183225104516482
EOS-2-02323,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)cc2)n1,KMUHCLFJUUGGTI-UHFFFAOYSA-N,2,1,0.494,37,889,450.865,3.396,5,0.366,0.67,1.0,0.7769429785484202,0.7604859159756014,0.382221917620451,0.4046501267904873,0.58107523473374
EOS-2-02324,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5F)n34)cn2)c1,ZVAXMBLWVBALCR-UHFFFAOYSA-N,2,1,0.421,55,823,450.865,3.836,5,0.363,0.58,0.977,0.6595675416352547,0.6232694811870331,0.5872369954081283,0.5388167363443218,0.6022226886436844
EOS-2-02325,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1F,OTHZLXXFUJHWPV-UHFFFAOYSA-N,2,1,0.576,37,669,450.865,3.396,5,0.366,0.62,1.0,0.776951545473237,0.7735676101706531,0.5968833527516962,0.6233551504351997,0.6926894147076965
EOS-2-02326,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1F,CHVAZASLOBUPAI-UHFFFAOYSA-N,2,1,0.547,37,125,450.865,3.396,5,0.391,0.63,1.0,0.7594236172983346,0.7565536974847509,0.5936707559454458,0.6351175382084847,0.686191402234254
EOS-2-02327,Cn1nncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,SXNKDPOQQSJRHR-UHFFFAOYSA-N,2,1,0.563,37,669,450.865,3.396,5,0.366,0.59,1.0,0.6159790281680488,0.5857120827907615,0.587245562332945,0.6117298334589816,0.6001666266876842
EOS-2-02328,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)c1,PYHAMWWCMVIWMJ-UHFFFAOYSA-N,2,1,0.527,37,438,450.865,3.396,5,0.366,0.57,1.0,0.6242461106161332,0.6232780481118497,0.5279110410527037,0.5651771640052087,0.5851530909464738
EOS-2-02329,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)cn2)c1,LGABHLCAYSJILX-UHFFFAOYSA-N,2,1,0.505,87,823,450.865,3.396,5,0.391,0.65,1.0,0.7910698375711055,0.7821688026865876,0.5209889658008361,0.5123620725104516,0.6516474196422453
EOS-2-02330,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cn2)n1,HUYCNPSLGCZFJI-UHFFFAOYSA-N,2,1,0.516,58,981,450.865,3.396,5,0.366,0.6,1.0,0.701956685628127,0.720109999314646,0.5279196079775204,0.5087896648619011,0.6146939894455486
EOS-2-02331,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)[nH]c1F,OZZKQPIARVFZDA-UHFFFAOYSA-N,2,1,0.521,58,578,450.865,3.694,5,0.393,0.62,1.0,0.7417414844767323,0.7821773696114043,0.4756785004454801,0.4742906586251799,0.6184720032896992
EOS-2-02332,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1F,PQWPEQXIGLJECF-UHFFFAOYSA-N,2,1,0.494,26,482,450.865,3.396,5,0.391,0.72,1.0,0.7536666438215338,0.7604944829004181,0.5179134397916524,0.5488314714550065,0.6452265094921527
EOS-2-02333,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(Cl)n2)n1,ARXAAHVMYIQSPU-UHFFFAOYSA-N,2,1,0.506,58,271,450.865,3.396,5,0.366,0.62,1.0,0.6325645946131176,0.6814560345418409,0.47937084504146393,0.4893598793776986,0.5706878383935303
EOS-2-02334,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c(F)c1,UAEJCLCFLPBTJK-UHFFFAOYSA-N,2,1,0.576,37,669,450.865,3.396,5,0.366,0.73,1.0,0.7910784044959221,0.7864436981701048,0.5142039613460352,0.5357497772599548,0.6568689603180041
EOS-2-02335,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1F,QXPNUFKXNPDJEX-UHFFFAOYSA-N,2,1,0.588,37,669,450.865,3.396,5,0.366,0.7,1.0,0.8259971900486601,0.8224333493249263,0.517922006716469,0.5426547186621891,0.6772518161880612
EOS-2-02336,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1F,XAFIKGVUORJIPA-UHFFFAOYSA-N,2,1,0.558,37,619,450.865,3.396,5,0.391,0.68,1.0,0.7711346035227195,0.7945051744225893,0.5142125282708518,0.5555736412857241,0.6588564868754712
EOS-2-02337,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1F,HXDDTDIDDSOCHM-UHFFFAOYSA-N,2,1,0.495,37,639,450.865,3.396,5,0.366,0.7,1.0,0.7052635186073607,0.7432920978685491,0.4999828661503667,0.5555822082105407,0.6260301727092042
EOS-2-02338,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1F,MQCOYIYUCMPZRW-UHFFFAOYSA-N,2,1,0.533,37,125,450.865,3.396,5,0.391,0.62,1.0,0.7417500514015489,0.7565622644095675,0.5345418408608046,0.5843328078952779,0.6542967411417997
EOS-2-02339,Cn1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncc(F)cn5)c4)n23)c1Cl,BYNXJWZGZGDKFL-UHFFFAOYSA-N,2,1,0.5,65,491,450.865,3.396,5,0.391,0.63,1.0,0.7417586183263656,0.6864334178603249,0.5345504077856212,0.5426632855870057,0.6263514323898294
EOS-2-02340,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)nc(Cl)c5)n34)ccn2)c1,JGBOYCSOCRDGPG-UHFFFAOYSA-N,2,1,0.556,75,276,450.865,3.396,5,0.366,0.64,1.0,0.7266979644986635,0.6765300527722569,0.5412925776163389,0.5189843053937359,0.6158762250702488
EOS-2-02341,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)cc1,PCQZKYYXHAVMSB-UHFFFAOYSA-N,2,1,0.553,37,734,450.865,3.396,5,0.391,0.69,1.0,0.8498732095127133,0.7649492838050853,0.49999143307518334,0.5290761428277705,0.660972517305188
EOS-2-02342,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1F,SXRADNDWVMKHJE-UHFFFAOYSA-N,2,1,0.552,37,563,450.865,3.396,5,0.391,0.65,1.0,0.8543622781166472,0.8565725447193475,0.4691762045096292,0.5189928723185525,0.6747759749160441
EOS-2-02343,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(F)c1,OEYVEDPGAKTERU-UHFFFAOYSA-N,2,1,0.534,37,563,450.865,3.396,5,0.391,0.69,1.0,0.8285072990199438,0.8262970324172435,0.46194571996436157,0.5123706394352683,0.6572801727092044
EOS-2-02344,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1F,AUHGVPZLUIIRSH-UHFFFAOYSA-N,2,1,0.539,37,589,450.865,3.396,5,0.391,0.6,1.0,0.8180213830443424,0.8404410252895621,0.472483037488863,0.5326742512507711,0.6659049242683847
EOS-2-02345,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(F)c1,OLPHANMOTNJPQV-UHFFFAOYSA-N,2,1,0.522,37,589,450.865,3.396,5,0.391,0.64,1.0,0.7967068741004729,0.8146717154410252,0.46918477143444587,0.5290847097525873,0.6524120176821329
EOS-2-02346,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1F,NCPQIPJBZYEDFS-UHFFFAOYSA-N,2,1,0.517,37,639,450.865,3.396,5,0.366,0.66,1.0,0.840569529161812,0.8334761154136111,0.4332293879788911,0.48936844630251525,0.6491608697142074
EOS-2-02347,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5c(F)ccnc5Cl)n34)ccn2)c1,GSCDALIQIGDJLX-UHFFFAOYSA-N,2,1,0.534,75,276,450.865,3.396,5,0.366,0.61,1.0,0.7654632992940854,0.7246076348433966,0.5072047837708177,0.5190014392433692,0.6290692892879172
EOS-2-02348,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)ccn2)c1,BNVHOCYIFNCNMO-UHFFFAOYSA-N,2,1,0.511,75,276,450.865,3.396,5,0.366,0.61,1.0,0.7967154410252896,0.7246162017682133,0.5579295456103077,0.5357583441847714,0.6537548831471455
EOS-2-02349,Cc1nc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)n[nH]1,FFIIGILNSNLHKR-UHFFFAOYSA-N,2,1,0.575,84,308,450.865,3.694,5,0.42,0.62,1.0,0.7910869714207388,0.6716897402508396,0.5243643341786033,0.5456103077239394,0.6331878383935303
EOS-2-02350,CC(C)(O)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)c(F)c1,BRIJXJNEWVBWFM-UHFFFAOYSA-N,2,1,0.346,22,888,450.865,3.454,5,0.446,0.68,1.0,0.15763998355150435,0.4390034953053252,0.7101209649784114,0.7098553903090946,0.5041549585360838
EOS-2-02351,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5c(F)ccnc5Cl)n34)c2)cn1,VZQFXDUQSAHXFH-UHFFFAOYSA-N,2,1,0.489,2,349,450.865,3.396,5,0.366,0.69,1.0,0.5785758344184772,0.5517527928174902,0.6093996299088479,0.6117384003837982,0.5878666643821533
EOS-2-02352,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1F,WVQBSZIIUGOMLE-UHFFFAOYSA-N,2,1,0.495,37,639,450.865,3.396,5,0.366,0.72,1.0,0.7447741758618326,0.7821859365362209,0.42220375573983965,0.4773233500102803,0.6066218045370434
EOS-2-02353,Cc1c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)ncn2)cnn1C,PRIUUEDEUKEVCB-UHFFFAOYSA-N,2,1,0.528,4,10,450.865,3.662,5,0.403,0.66,1.0,0.490045233363032,0.7155095606880953,0.5209975327256527,0.5158402439860188,0.5605981426906997
EOS-2-02354,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cn1,BUFXCQYDHNNOIC-UHFFFAOYSA-N,2,1,0.527,84,672,450.865,3.396,5,0.391,0.69,1.0,0.7417671852511822,0.7864522650949215,0.48281474881776437,0.5326828181755877,0.6359292543348639
EOS-2-02355,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)c1,HMIGLQZXLAXECJ-UHFFFAOYSA-N,2,1,0.506,37,931,450.865,3.396,5,0.391,0.61,1.0,0.5757915838530601,0.5904752929888287,0.4691933383592626,0.4955794667945994,0.5327599204989377
EOS-2-02356,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)cc1F,RLZZYRGDRXQEAL-UHFFFAOYSA-N,2,1,0.495,26,795,450.865,3.396,5,0.366,0.68,1.0,0.8024981152765404,0.7387002261668152,0.465415324515112,0.49558803371941607,0.625550424919471
EOS-2-02357,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ccc2F)cn1,DIYADECSLCHWQH-UHFFFAOYSA-N,2,1,0.484,4,394,450.865,3.836,5,0.363,0.62,1.0,0.47528442190391335,0.6093139606606812,0.5514872181481736,0.5290932766774039,0.541294719347543
EOS-2-02358,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nn2C)cc1F,PQFBBFWWCUKUBF-UHFFFAOYSA-N,2,1,0.467,95,694,450.865,3.662,5,0.377,0.72,1.0,0.3837725310122678,0.3596395038037146,0.5481461174696731,0.5255465698033034,0.4542761805222397
EOS-2-02359,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1ccc(F)cn1,LGGCOMPSKMSQMM-UHFFFAOYSA-N,2,1,0.462,95,493,450.865,3.396,5,0.366,0.61,1.0,0.520217942567336,0.44327839078884246,0.41840004112123913,0.4683023781783291,0.46254968816393666
EOS-2-02360,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccc2F)cn1,DMQUUSOGHRRCIS-UHFFFAOYSA-N,2,1,0.506,37,394,450.865,3.396,5,0.391,0.71,1.0,0.7052720855321774,0.7777397025563704,0.5413011445411555,0.5685610993077925,0.648218507984374
EOS-2-02361,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1-c1ccc(F)cc1,ZKIFYIAKRZIMIN-UHFFFAOYSA-N,2,1,0.467,95,835,450.865,3.396,5,0.391,0.67,1.0,0.487569392091015,0.4610290590089781,0.3633746830237818,0.4589387293537112,0.4427279658693716
EOS-2-02362,Cc1cc(-c2cnc(Cl)c(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)nn1C,HDJBDEJHBHYCNM-UHFFFAOYSA-N,2,1,0.483,55,875,450.865,3.662,5,0.377,0.64,1.0,0.5076930984853677,0.5563189637447742,0.5413097114659722,0.4893770132273319,0.5236746967308615
EOS-2-02363,CCn1cncc1-c1cc(F)c(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cn1,JXCSESMVVIJBEB-UHFFFAOYSA-N,2,1,0.432,55,565,450.865,3.836,5,0.363,0.59,1.0,0.6355801521485848,0.5470495510931396,0.5646974162154753,0.5588462065656912,0.5765433315057227
EOS-2-02364,CCn1cc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)ccn2)cn1,JVHBSEVWYAUDDZ-UHFFFAOYSA-N,2,1,0.471,92,980,450.865,3.836,5,0.388,0.66,1.0,0.4189226235350559,0.43002535809745734,0.57468645055171,0.5685696662326092,0.4980510246042081
EOS-2-02365,Cc1nnc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)ccn4)n23)n1C,JQDFZRUWZQCDBG-UHFFFAOYSA-N,2,1,0.425,46,503,450.865,3.662,5,0.403,0.75,1.0,0.40987595092865464,0.49184428757453225,0.3297323692687273,0.4367932287026249,0.41706145911863474
EOS-2-02366,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)n1,UJDBELGCGGKCRY-UHFFFAOYSA-N,2,1,0.468,75,525,450.865,3.396,5,0.366,0.67,1.0,0.5538945240216572,0.6190716880268659,0.4109639503803715,0.46831094510314575,0.51306027688301
EOS-2-02367,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cc2)n1,IZISLDMEFGVFKC-UHFFFAOYSA-N,2,1,0.558,15,320,450.865,3.396,5,0.366,0.64,1.0,0.7967240079501062,0.7945137413474059,0.4443235556164759,0.4492923720101432,0.6212134192310328
EOS-2-02368,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c(Cl)c2)n1,JJHSGPVCHBHTQT-UHFFFAOYSA-N,2,1,0.522,37,589,450.865,3.396,5,0.391,0.64,1.0,0.6930128161195257,0.777748269481187,0.4551350147351107,0.4955966006442327,0.605373175245014
EOS-2-02369,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)n1,SRYDHCNJZROBME-UHFFFAOYSA-N,2,1,0.511,37,639,450.865,3.396,5,0.366,0.67,1.0,0.7684188883558358,0.8031149338633404,0.4222123226646563,0.45894729627852787,0.6131733602905901
EOS-2-02370,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(F)c2)n1,XEUFQJOAGKWMCE-UHFFFAOYSA-N,2,1,0.545,37,563,450.865,3.396,5,0.391,0.62,1.0,0.7478668357206497,0.8031235007881571,0.45514358165992735,0.48021897059831403,0.621588222191762
EOS-2-02371,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nc1F,QOVHRKHOJAAJSA-UHFFFAOYSA-N,2,1,0.433,58,954,450.865,3.396,5,0.366,0.68,1.0,0.5561818929477075,0.5611935439654582,0.40428174902337055,0.4240456445754232,0.48642570762798987
EOS-2-02372,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cn2)cn1,ADLJKVWAYGANBK-UHFFFAOYSA-N,2,1,0.5,87,468,450.865,3.396,5,0.366,0.72,1.0,0.6414227948735521,0.6814646014666575,0.5243729011034199,0.5087982317867178,0.5890146323075869
EOS-2-02373,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)cn2)cn1,XNKAWJFZWCMWET-UHFFFAOYSA-N,2,1,0.505,87,468,450.865,3.396,5,0.391,0.71,1.0,0.6297546432732506,0.6525340963607703,0.5714652868206429,0.5555907751353574,0.6023362003975054
EOS-2-02374,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cn1,AUHJNRJGUNYNEJ-UHFFFAOYSA-N,2,1,0.527,84,672,450.865,3.396,5,0.391,0.75,1.0,0.7385717222945651,0.7821945034610376,0.482823315742581,0.5388253032691385,0.6356037111918306
EOS-2-02375,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cn1,DHGIDKOJIALUMS-UHFFFAOYSA-N,2,1,0.547,84,672,450.865,3.396,5,0.391,0.75,1.0,0.7143187581385786,0.7692755808375026,0.48283188266739774,0.5357669111095881,0.6255482831882667
EOS-2-02376,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cccc(F)n1,LMUFGUXLRAUFFV-UHFFFAOYSA-N,2,1,0.429,95,477,450.865,3.396,5,0.366,0.66,0.998,0.4802104036734974,0.4565656911794942,0.33700568843807827,0.40180590775135355,0.41889692276060586
EOS-2-02377,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1ccc(F)nc1,IPDVSRFYEXWSAC-UHFFFAOYSA-N,2,1,0.483,95,493,450.865,3.396,5,0.366,0.71,1.0,0.4948769789596327,0.4610376259337948,0.4930093893495991,0.5158488109108355,0.4911932012884655
EOS-2-02378,Cn1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1-c1cccnc1,ASJSTOYOCUZMJY-UHFFFAOYSA-N,2,1,0.442,95,493,450.865,3.396,5,0.366,0.66,0.994,0.45373003906517717,0.4390120622301419,0.47249160441367966,0.5022445343019669,0.4668695600027414
EOS-2-02379,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccc2F)c1,TUJSEZHEXDSHJW-UHFFFAOYSA-N,2,1,0.494,37,482,450.865,3.396,5,0.391,0.71,1.0,0.7967325748749229,0.8184582962099924,0.4897539579192653,0.5221112329518196,0.656764015489
EOS-2-02380,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cc1,SMCFJOLKTHSLKA-UHFFFAOYSA-N,2,1,0.489,26,795,450.865,3.396,5,0.366,0.68,1.0,0.8782554314303338,0.747652662600233,0.42222088958947296,0.4463196490987595,0.6236121581796998
EOS-2-02381,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,QLTJEQLVHLFAMU-UHFFFAOYSA-N,2,1,0.647,84,360,450.865,3.396,5,0.391,0.63,1.0,0.6074549379754643,0.6141285724076485,0.6480964293057364,0.6639281063669386,0.633402011513947
EOS-2-02382,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1,ZHSKJUYTNYKNPW-UHFFFAOYSA-N,2,1,0.529,84,749,450.865,3.396,5,0.391,0.61,1.0,0.5812915495853609,0.5612021108902748,0.5903981906654787,0.6351261051333014,0.5920044890686039
EOS-2-02383,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cnn2)cn1,PDRSWOYHZSPYST-UHFFFAOYSA-N,2,1,0.517,37,778,450.865,3.396,5,0.391,0.54,1.0,0.5844527448427113,0.6716983071756563,0.6481049962305531,0.6667209238571722,0.6427442430265232
EOS-2-02384,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cnn2)cn1,YXOGEIMEEVWLEQ-UHFFFAOYSA-N,2,1,0.517,37,778,450.865,3.396,5,0.391,0.54,1.0,0.5844613117675279,0.6717068741004729,0.6481135631553697,0.669642245219656,0.6434809985607566
EOS-2-02385,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)n1,STYXXMHNICOPOS-UHFFFAOYSA-N,2,1,0.5,37,482,450.865,3.396,5,0.391,0.68,1.0,0.7684274552806525,0.814680282365842,0.46920190528407923,0.4986035912548831,0.6377283085463642
EOS-2-02386,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1,GBVOLBKALRPIHJ-UHFFFAOYSA-N,2,1,0.524,36,734,450.865,3.836,5,0.363,0.65,1.0,0.7626704818038517,0.6141371393324652,0.5345589747104379,0.5357754780344047,0.6117855184702898
EOS-2-02387,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(F)c2)n1C,OMBHQKWWHGXVNC-UHFFFAOYSA-N,2,1,0.506,16,772,450.865,3.662,5,0.403,0.69,1.0,0.6503066959084367,0.6717154410252896,0.4369302994996916,0.4834829689534645,0.5606088513467206
EOS-2-02388,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)ncn1,RPSSZHADGIPYMI-UHFFFAOYSA-N,2,1,0.483,31,481,450.865,3.396,5,0.391,0.6,1.0,0.5785844013432938,0.4918528544993489,0.564705983140292,0.5902953875676787,0.5563596566376533
EOS-2-02389,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ncn1,LHAAQYFHQFYQAQ-UHFFFAOYSA-N,2,1,0.558,44,481,450.865,3.396,5,0.391,0.65,0.955,0.705280652456994,0.5240045233363032,0.6065382770200809,0.6117469673086149,0.6118926050304982
EOS-2-02390,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ncn1,VVYRXMVNXGIPMD-UHFFFAOYSA-N,2,1,0.558,44,481,450.865,3.396,5,0.391,0.63,0.955,0.7083390446165444,0.5194212185593859,0.6065468439448976,0.6085943389760812,0.6107253615242273
EOS-2-02391,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ncn1,SYLGBSNXKIOTGY-UHFFFAOYSA-N,2,1,0.447,44,481,450.865,3.396,5,0.391,0.61,0.951,0.6159875950928655,0.5517613597423069,0.5778048111849771,0.605347474470564,0.5877253101226783
EOS-2-02392,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cn1,YORAJCQHOJHKER-UHFFFAOYSA-N,2,1,0.529,84,749,450.865,3.396,5,0.391,0.74,1.0,0.7385802892193818,0.7476612295250497,0.44785312864094307,0.5088067987115346,0.6107253615242273
EOS-2-02393,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nc1F,MHKDOWKVFFHFCP-UHFFFAOYSA-N,2,1,0.423,58,954,450.865,3.396,5,0.366,0.71,1.0,0.6840346789116579,0.6093225275854979,0.322416215475293,0.36060756630799806,0.49409524707011165
EOS-2-02394,Cc1nn(C)cc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,TZLNQQJRAVVURK-UHFFFAOYSA-N,2,1,0.535,73,212,450.865,3.662,5,0.403,0.59,1.0,0.4677026934411624,0.6913851004043589,0.49301795627441575,0.49861215817969984,0.5376794770749092
EOS-2-02395,Cc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cnc(Cl)n1C,HYXOEDFMXRIDJO-UHFFFAOYSA-N,2,1,0.415,46,122,450.865,3.662,5,0.377,0.61,1.0,0.5384397916523884,0.5563275306695908,0.4145791926530053,0.40181447467617026,0.47779024741278875
EOS-2-02396,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ccc5F)n34)cn2)cn1,YRKCRBMRULKMKY-UHFFFAOYSA-N,2,1,0.411,92,468,450.865,3.836,5,0.363,0.71,1.0,0.44663662531697623,0.5470581180179562,0.4725001713384963,0.46831951202796246,0.4836286066753478
EOS-2-02397,Cn1nc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1ccc(Cl)cc1F,KBDFFSHXKXDDKG-UHFFFAOYSA-N,2,1,0.517,95,998,450.865,3.396,5,0.391,0.68,1.0,0.5705057912411761,0.542217805496539,0.5035210060996504,0.5716965937906929,0.5469852991570147
EOS-2-02398,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1cnccc1F,RMMMDBKBQOGFFZ-UHFFFAOYSA-N,2,1,0.457,95,235,450.865,3.396,5,0.391,0.64,0.998,0.4490610650400932,0.4166695223082722,0.44064834487012544,0.5190100061681858,0.45634723459666915
EOS-2-02399,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ccc(F)nc1,LYZAZMSSXCYXLE-UHFFFAOYSA-N,2,1,0.438,95,954,450.865,3.396,5,0.366,0.73,1.0,0.4604807758207114,0.45208518950037696,0.40069220752518675,0.4493009389349599,0.44063977794530873
EOS-2-02400,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cncc(F)c1,KJEHIOJBSCWODO-UHFFFAOYSA-N,2,1,0.412,95,235,450.865,3.396,5,0.366,0.73,1.0,0.485222054691248,0.40252552943595366,0.38958090603796863,0.4589558632033445,0.4340710883421287
EOS-2-02401,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(F)ccc5Cl)n34)cn2)cn1,CQSSMTBIKDCXLA-UHFFFAOYSA-N,2,1,0.411,92,468,450.865,3.836,5,0.363,0.63,1.0,0.43964601466657527,0.5612106778150915,0.472508738263313,0.4742992255499966,0.48691616407374416
EOS-2-02402,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)cnc4F)n23)ccn1,YDBNGCNBKICYIA-UHFFFAOYSA-N,2,1,0.5,75,624,450.865,3.396,5,0.366,0.66,1.0,0.7417757521759989,0.6279213213624837,0.5447279144678226,0.5326913851004044,0.6117790932766773
EOS-2-02403,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cn2)cn1,BXHJKJXXFVKZLA-UHFFFAOYSA-N,2,1,0.457,92,468,450.865,3.836,5,0.388,0.68,1.0,0.439654581591392,0.514855047632102,0.5579381125351244,0.5388338701939552,0.5128204029881434
EOS-2-02404,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccn1,WMGHQSZRKXGKHU-UHFFFAOYSA-N,2,1,0.505,75,624,450.865,3.396,5,0.366,0.55,1.0,0.7052892193818107,0.5951185662394627,0.5746950174765266,0.555599342060174,0.6076755362894934
EOS-2-02405,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)c1F,NIZNYSNSNPPZDA-UHFFFAOYSA-N,2,1,0.474,87,173,450.865,3.396,5,0.366,0.67,1.0,0.5256665067507368,0.47406791857994657,0.5072133506956343,0.5123792063600849,0.5048317455966007
EOS-2-02406,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)c(F)c1,RDPYTNOVMZNUGR-UHFFFAOYSA-N,2,1,0.547,26,361,450.865,3.396,5,0.366,0.69,1.0,0.842942567336029,0.7777568364060037,0.5778133781097937,0.561947433349325,0.6901150538002878
EOS-2-02407,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c1,ATPFHYWDNXLASF-UHFFFAOYSA-N,2,1,0.552,15,931,450.865,3.396,5,0.366,0.61,1.0,0.6503152628332534,0.604473648139264,0.49643615927626616,0.5088153656363512,0.5650101089712837
EOS-2-02408,Cc1cc(-c2nnc3cncc(OCc4cc(F)c(-c5cnn(C)n5)cn4)n23)ccc1Cl,YCDYONVIGYRITL-UHFFFAOYSA-N,2,1,0.494,36,677,450.865,3.662,5,0.403,0.66,0.996,0.4875779590158317,0.7340141182920978,0.6298146117469673,0.6206651360427661,0.6180179562744158
EOS-2-02409,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1F,VLCVJIGATAJHFX-UHFFFAOYSA-N,2,1,0.583,37,669,450.865,3.396,5,0.366,0.72,1.0,0.8285158659447605,0.8263055993420602,0.5142210951956686,0.5456188746487561,0.6786653587828114
EOS-2-02410,Cc1nc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1cncn1C,SLSJXVKXDMYJEE-UHFFFAOYSA-N,2,1,0.426,46,62,450.865,3.662,5,0.377,0.6,0.965,0.5844698786923446,0.5014478102940169,0.5714738537454596,0.5221197998766363,0.5448778356521143
EOS-2-02411,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)n[nH]1,UEDIYSOIBRFVQB-UHFFFAOYSA-N,2,1,0.671,84,360,450.865,3.694,5,0.42,0.73,1.0,0.8964515797409361,0.8929134397916524,0.5210060996504695,0.5456274415735728,0.7139996401891577
EOS-2-02412,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)n1,VMIAXSHHFVCBLZ-UHFFFAOYSA-N,2,1,0.547,84,749,450.865,3.396,5,0.391,0.67,1.0,0.7236824069631965,0.7777654033308203,0.455152148584744,0.5022531012267837,0.6147132650263862
EOS-2-02413,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)n1,PVWOHWJQYFEFPN-UHFFFAOYSA-N,2,1,0.528,84,672,450.865,3.396,5,0.391,0.64,1.0,0.732797614968131,0.8107566307998081,0.48976252484408195,0.52555513672812,0.6397179768350353
EOS-2-02414,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1F,XTACQSIYPDBCPU-UHFFFAOYSA-N,2,1,0.553,26,125,450.865,3.396,5,0.366,0.69,1.0,0.881913508327051,0.7945223082722226,0.5936793228702625,0.5811973134123775,0.7128281132204783
EOS-2-02415,Cn1nc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)cc1-c1ccncc1,NIJYJQYOWRVILW-UHFFFAOYSA-N,2,1,0.43,95,235,450.865,3.396,5,0.391,0.63,1.0,0.42599890343362345,0.3740576382701665,0.3895894729627853,0.4493095058597766,0.409738880131588
EOS-2-02416,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cn1,LNLLQHMAEHLWQC-UHFFFAOYSA-N,2,1,0.495,58,579,450.865,3.396,5,0.366,0.68,1.0,0.7711431704475361,0.7201185662394627,0.4930265231992324,0.4863785895414982,0.6176667123569323
EOS-2-02417,Cn1nc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)cc1-c1ccc(F)cc1,BTYQIBYCLIGPBP-UHFFFAOYSA-N,2,1,0.529,95,835,450.865,3.396,5,0.366,0.68,0.998,0.567618737577959,0.49186142142416556,0.42932287026249055,0.48638715646631486,0.4937975464327325
EOS-2-02418,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)cnc1Cl,PVXPWTWPCYVIDF-UHFFFAOYSA-N,2,1,0.464,58,954,450.865,3.396,5,0.366,0.65,1.0,0.7385888561441984,0.7387087930916318,0.4007007744500034,0.41772325406072236,0.573930419436639
EOS-2-02419,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)nc1,OWEFPLNPXMJROS-UHFFFAOYSA-N,2,1,0.602,84,308,450.865,3.396,5,0.391,0.83,0.992,0.8180299499691591,0.6668494277294222,0.5179305736412857,0.5456360084983894,0.6371114899595641
EOS-2-02420,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccnc(Cl)c1,CLRFAWBMKAOIMP-UHFFFAOYSA-N,2,1,0.462,95,493,450.865,3.396,5,0.366,0.69,1.0,0.44191624974299226,0.4166780892330889,0.5179391405661024,0.5520783359605236,0.4821529538756768
EOS-2-02421,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)cc1F,NOAQBQWKIVNCEY-UHFFFAOYSA-N,2,1,0.558,26,361,450.865,3.396,5,0.366,0.7,1.0,0.8875762456308683,0.7945308751970392,0.5904067575902954,0.5717051607155096,0.7110547597834281
EOS-2-02422,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ncn1,BGESEKBDPWDREF-UHFFFAOYSA-N,2,1,0.511,46,488,450.865,3.836,5,0.388,0.64,0.959,0.6214190254266329,0.5059454458227675,0.6065554108697142,0.6086029059008978,0.5856306970050031
EOS-2-02423,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)n[nH]1,ICSXAESPZCXCFN-UHFFFAOYSA-N,2,1,0.647,84,360,450.865,3.694,5,0.42,0.68,1.0,0.7939054896854225,0.7605030498252348,0.5747035844013433,0.5903039544924954,0.679854019601124
EOS-2-02424,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)n[nH]1,XBJWQNYOJALHTE-UHFFFAOYSA-N,2,1,0.553,84,752,450.865,3.694,5,0.42,0.63,1.0,0.6658727983003221,0.7201271331642793,0.5345675416352547,0.5685782331574258,0.6222864265643204
EOS-2-02425,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)c2)n[nH]1,DQJGUPYLBOUMBK-UHFFFAOYSA-N,2,1,0.511,84,35,450.865,3.694,5,0.42,0.69,1.0,0.6991296004386266,0.7565708313343842,0.5481546843944898,0.5812058803371941,0.6462652491261737
EOS-2-02426,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)nc1,UIAPFKFBZKDXMR-UHFFFAOYSA-N,2,1,0.553,46,294,450.865,3.836,5,0.388,0.73,1.0,0.6355887190734014,0.6232866150366665,0.517947707490919,0.5619560002741416,0.5846947604687821
EOS-2-02427,Cc1ncn(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cc2)n1,LVTXTMINNPVUOP-UHFFFAOYSA-N,2,1,0.505,37,563,450.865,3.489,5,0.365,0.62,1.0,0.671989582619423,0.6093310945103145,0.45516071550956066,0.44931807278459324,0.5464498663559729
EOS-2-02428,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cn1,BIHKNDHSFIHCLD-UHFFFAOYSA-N,2,1,0.61,36,294,450.865,3.836,5,0.388,0.72,1.0,0.6840432458364746,0.7108491535878281,0.5105801521485848,0.5588547734905078,0.6160818312658488
EOS-2-02429,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnc2Cl)n1,CQSKLFDNNWVPEV-UHFFFAOYSA-N,2,1,0.489,65,904,450.865,3.396,5,0.366,0.61,1.0,0.6186347748612158,0.7246247686930299,0.5714824206702762,0.5717137276403262,0.6216139229662121
EOS-2-02430,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)n1C,STFQUSPKAWSMFT-UHFFFAOYSA-N,2,1,0.649,36,294,450.865,3.662,5,0.403,0.78,1.0,0.6414313617983689,0.7108577205126447,0.4222294565142896,0.47430779247481325,0.5622065828250291
EOS-2-02431,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cn1,ISHPUYIWNSYVEX-UHFFFAOYSA-N,2,1,0.61,36,294,450.865,3.836,5,0.388,0.71,1.0,0.6811047906243575,0.7108662874374615,0.5105887190734014,0.5588633404153245,0.6153557843876363
EOS-2-02432,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)n(C)n1,XXQKSFVTUSCCPC-UHFFFAOYSA-N,2,1,0.633,59,294,450.865,3.662,5,0.403,0.77,1.0,0.6159961620176821,0.7155181276129121,0.43693886642450824,0.4714036049619629,0.5599641902542664
EOS-2-02433,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1cncc(F)c1,KKWLQRXOYRFARC-UHFFFAOYSA-N,2,1,0.443,95,235,450.865,3.396,5,0.391,0.71,0.966,0.4852306216160647,0.4210729216640395,0.42933143718730726,0.5022616681516003,0.45947416215475295
EOS-2-02434,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccc(F)nc1,FEFLTGUBVUOWMO-UHFFFAOYSA-N,2,1,0.458,95,235,450.865,3.396,5,0.366,0.66,0.999,0.48021897059831403,0.4652439860187787,0.43323795490370776,0.47733191693509697,0.46400820711397434
EOS-2-02435,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)nc1F,GXCIKJYCMTYZNR-UHFFFAOYSA-N,2,1,0.448,31,814,450.865,3.396,5,0.366,0.62,0.985,0.6811133575491741,0.5951271331642793,0.4619542868891783,0.4773404838599136,0.5538838153656364
EOS-2-02436,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,UYHFHXDXEMNOOP-UHFFFAOYSA-N,2,1,0.38,46,211,450.865,3.836,5,0.363,0.59,1.0,0.4852391885408814,0.3787266122952505,0.5936878897950791,0.5588719073401411,0.504131399492838
EOS-2-02437,Cn1ncc(-c2nnc3cncc(OCCc4cccnn4)n23)c1-c1ccc(Cl)c(F)c1,JYVKCBVITOORPD-UHFFFAOYSA-N,2,1,0.5,37,482,450.865,3.396,5,0.391,0.71,1.0,0.4974898910287163,0.570145980398876,0.44433212254129256,0.5255637036529367,0.5093829244054554
EOS-2-02438,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)cnc1Cl,RHFUOROWXUMVMP-UHFFFAOYSA-N,2,1,0.505,65,904,450.865,3.396,5,0.366,0.61,1.0,0.5988366116098965,0.6913936673291755,0.590415324515112,0.5872369954081283,0.6169706497155781
EOS-2-02439,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c1,ARLPGXXPVJZJMM-UHFFFAOYSA-N,2,1,0.495,65,184,450.865,3.396,5,0.366,0.55,1.0,0.6781749023370571,0.6141457062572819,0.5310636693852375,0.5221283668014529,0.5863781611952574
EOS-2-02440,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2F)n1,KJWXGNQJNUVKQW-UHFFFAOYSA-N,2,1,0.451,58,773,450.865,3.396,5,0.366,0.59,1.0,0.6297632101980672,0.5656483448701254,0.4793794119662806,0.4743163593996299,0.5372768316085258
EOS-2-02441,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccc2Cl)n1,CCCKYEXLCYBJAU-UHFFFAOYSA-N,2,1,0.56,37,619,450.865,3.396,5,0.391,0.63,1.0,0.7739616887122198,0.8739976697964499,0.507221917620451,0.5488400383798232,0.676005328627236
EOS-2-02442,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1ccc(Cl)nc1,ICHSXEQGLDVMSR-UHFFFAOYSA-N,2,1,0.442,95,493,450.865,3.396,5,0.366,0.73,0.999,0.5002141731204167,0.4826262764717977,0.4864813926392982,0.532699952025221,0.5005054485641834
EOS-2-02443,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c(F)c1,PTDSWKYKISNXFW-UHFFFAOYSA-N,2,1,0.57,37,669,450.865,3.396,5,0.366,0.61,1.0,0.6840518127612912,0.6962682475498595,0.5840843670755945,0.6053560413953807,0.6424401171955314
EOS-2-02444,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1F,IZUCZILZIOZESA-UHFFFAOYSA-N,2,1,0.552,37,619,450.865,3.396,5,0.391,0.6,1.0,0.6870930710712083,0.7062572818860942,0.5904238914399287,0.6261993694743335,0.6524934034678911
EOS-2-02445,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1cncc(F)c1,HBYWRESRKFMNQA-UHFFFAOYSA-N,2,1,0.462,95,493,450.865,3.396,5,0.366,0.69,1.0,0.49488554588444933,0.43472859982180795,0.4828404495922144,0.5291018436022206,0.4853891097251731
EOS-2-02446,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(F)c1,VFTTWGYKDAFEMO-UHFFFAOYSA-N,2,1,0.495,37,639,450.865,3.396,5,0.366,0.64,1.0,0.65032382975807,0.6765386196970735,0.48977109176889866,0.5357840449592214,0.5881043965458159
EOS-2-02447,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cc1,TWJYVOGRCADDCR-UHFFFAOYSA-N,2,1,0.522,37,475,450.865,3.396,5,0.366,0.6,1.0,0.7328061818929477,0.7476697964498663,0.5105972859982181,0.5291104105270372,0.6300459187170173
EOS-2-02448,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nn2C)cn1,QAVUFWHNQCSKDN-UHFFFAOYSA-N,2,1,0.554,95,998,450.865,3.662,5,0.403,0.69,1.0,0.5002227400452334,0.4610461928586115,0.5310722363100542,0.5388424371187719,0.5077959015831677
EOS-2-02449,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c(F)c1,JPRXRPWFWXRGTO-UHFFFAOYSA-N,2,1,0.54,37,79,450.865,3.396,5,0.391,0.63,1.0,0.7052977863066274,0.6914022342539922,0.5808203687204441,0.6206737029675827,0.6495485230621616
EOS-2-02450,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)cn1,IHODOLDSDAWORA-UHFFFAOYSA-N,2,1,0.535,46,488,450.865,3.836,5,0.388,0.7,1.0,0.46771126036597904,0.42108148858885613,0.6094081968336645,0.6053646083201973,0.5258913885271743
EOS-2-02451,CC(c1ccc(Cl)c(F)c1)n1ncnc1COc1cncc2nnc(-c3cccnc3)n12,WRYPNVVDQPLSFU-UHFFFAOYSA-N,2,1,0.494,16,294,450.865,3.759,5,0.388,0.61,1.0,0.48271194571996434,0.565656911794942,0.615405044205332,0.6086114728257145,0.5680963436364882
EOS-2-02452,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1F,APSVNABYUVQCOU-UHFFFAOYSA-N,2,1,0.581,37,669,450.865,3.396,5,0.366,0.59,1.0,0.6930213830443424,0.720135700089096,0.5936964567198958,0.614788225618532,0.6554104413679664
EOS-2-02453,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1-c1cnccn1,VQVKRPJTRLECOB-UHFFFAOYSA-N,2,1,0.478,95,998,450.865,3.396,5,0.391,0.58,1.0,0.46538962374066206,0.43902062915495854,0.47938797889109724,0.5456445754232061,0.48236070180248103
EOS-2-02454,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)nn2C)cn1,RVEOINOMZCHWLC-UHFFFAOYSA-N,2,1,0.573,95,998,450.865,3.662,5,0.403,0.71,0.999,0.5101518059077513,0.46525255294359535,0.5937050236447124,0.5779247481324103,0.5367585326571174
EOS-2-02455,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4nc(Cl)ccc4F)n23)cc1,IHORJZDISGUBFH-UHFFFAOYSA-N,2,1,0.5,37,475,450.865,3.396,5,0.366,0.65,1.0,0.7739702556370365,0.7692841477623192,0.46196285381399493,0.5057055719279008,0.6277307072853129
EOS-2-02456,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1F,BGEXFWVXIVBIMN-UHFFFAOYSA-N,2,1,0.539,37,563,450.865,3.396,5,0.391,0.58,1.0,0.6991381673634433,0.7108748543622782,0.5310808032348708,0.57484065519841,0.6289836200397505
EOS-2-02457,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nc1,ZKKUCMMYOZYIRY-UHFFFAOYSA-N,2,1,0.602,84,308,450.865,3.396,5,0.391,0.79,1.0,0.8077753409636077,0.7108834212870948,0.5243814680282366,0.5651857309300253,0.6520564903022411
EOS-2-02458,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cncc(F)c1,JARHBCMBWAVFBU-UHFFFAOYSA-N,2,1,0.451,95,493,450.865,3.396,5,0.391,0.72,0.997,0.48524775546569804,0.4432869577136591,0.4793965458159139,0.5456531423480228,0.4883961003358235
EOS-2-02459,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nc2)n1,WEIXRWBVYBHANV-UHFFFAOYSA-N,2,1,0.436,18,773,450.865,3.396,5,0.366,0.66,1.0,0.6046878212596807,0.5701545473236926,0.5310893701596875,0.5123877732849017,0.5545798780069906
EOS-2-02460,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nc2Cl)n1,ZTQCMSAGVFHEPX-UHFFFAOYSA-N,2,1,0.432,18,773,450.865,3.396,5,0.366,0.55,1.0,0.5988451785347132,0.547066684942773,0.4692104722088959,0.48938558015214856,0.5261269789596327
EOS-2-02461,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1-c1cnccn1,CIQJYPCBTGKGGK-UHFFFAOYSA-N,2,1,0.478,95,998,450.865,3.396,5,0.391,0.59,1.0,0.4677198272907957,0.4390291960797752,0.4794051127407306,0.5426718525118224,0.48220649715578096
EOS-2-02462,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)n1,JXIXDOHSYQCDLQ-UHFFFAOYSA-N,2,1,0.511,37,639,450.865,3.396,5,0.366,0.74,1.0,0.8077839078884244,0.764957850729902,0.48284901651703105,0.5123963402097184,0.6419967788362689
EOS-2-02463,Cn1nc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1-c1cnccn1,KMCLMTXRGMOYOO-UHFFFAOYSA-N,2,1,0.518,95,752,450.865,3.396,5,0.391,0.58,1.0,0.4779230347474471,0.3881759303680351,0.46921903913371255,0.5291189774518539,0.46610924542526216
EOS-2-02464,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1cnccn1,AETRMNMBRLTDIR-UHFFFAOYSA-N,2,1,0.598,95,381,450.865,3.396,5,0.391,0.58,1.0,0.5256750736755534,0.4254763210198067,0.5072304845452676,0.5520869028853402,0.502617195531492
EOS-2-02465,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc2F)n1,UMCWJNISRKJOEU-UHFFFAOYSA-N,2,1,0.443,31,928,450.865,3.396,5,0.366,0.61,1.0,0.5813001165101775,0.5517699266671235,0.4222380234391063,0.452599204989377,0.5019768179014461
EOS-2-02466,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cc1-c1cnccn1,QGLVDIRPBPMOIB-UHFFFAOYSA-N,2,1,0.511,95,998,450.865,3.396,5,0.391,0.59,1.0,0.48758652594064833,0.4254848879446234,0.47941367966554727,0.5456617092728394,0.4845367007059146
EOS-2-02467,Cn1ccc(-c2cnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)n1,XSZRJSSEJUNLNU-UHFFFAOYSA-N,2,1,0.414,58,954,450.865,3.396,5,0.366,0.62,1.0,0.5785929682681105,0.5101175382084847,0.4293400041121239,0.4589644301281612,0.49425373517922006
EOS-2-02468,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccc(F)nc1,KSXAUSPASILXCX-UHFFFAOYSA-N,2,1,0.442,95,493,450.865,3.396,5,0.366,0.72,0.999,0.494894112809266,0.465261119868412,0.4897796586937153,0.5327085189500377,0.49566085258035775
EOS-2-02469,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1-c1cnccn1,YGEZDHNUOXCONH-UHFFFAOYSA-N,2,1,0.598,95,381,450.865,3.396,5,0.391,0.63,1.0,0.5256836406003701,0.42549345486944007,0.5072390514700843,0.5520954698101569,0.5026279041875129
EOS-2-02470,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1F,NPTKVVJGUGKOTQ-UHFFFAOYSA-N,2,1,0.505,37,639,450.865,3.396,5,0.366,0.64,1.0,0.6840603796861079,0.6962768144746762,0.4964447262010829,0.5456702761976561,0.6056130491398808
EOS-2-02471,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1F,MVNUWIXJKYYTOA-UHFFFAOYSA-N,2,1,0.527,37,589,450.865,3.396,5,0.391,0.59,1.0,0.6658813652251387,0.7014598039887602,0.5379771777122884,0.590312521417312,0.6239077170858749
EOS-2-02472,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(F)c1,MSAOMJCPAADTTH-UHFFFAOYSA-N,2,1,0.505,37,79,450.865,3.396,5,0.391,0.62,1.0,0.6688969227606059,0.6864419847851415,0.5210146665752862,0.565194297854842,0.6103869679939689
EOS-2-02473,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)c(F)c2)cn1,UVACXUNUCMLRCO-UHFFFAOYSA-N,2,1,0.578,37,847,450.865,3.396,5,0.366,0.77,1.0,0.7356589678568981,0.7476783633746831,0.6002501542046467,0.5812144472620109,0.6662004831745596
EOS-2-02474,Cn1nc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1-c1cnccn1,VZKSXPXPWYDSFW-UHFFFAOYSA-N,2,1,0.494,95,998,450.865,3.396,5,0.391,0.67,1.0,0.49490267973408264,0.41668665615790557,0.4478616955657597,0.5190185730930026,0.46961740113768763
EOS-2-02475,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc2F)n1,FWYQWMCCAUOTEU-UHFFFAOYSA-N,2,1,0.418,58,237,450.865,3.396,5,0.366,0.68,1.0,0.5590432458364746,0.5517784935919402,0.38591426221643477,0.40808546364197107,0.4762053663217051
EOS-2-02476,Cc1cc(-c2nnc3cncc(-c4c(C)nn(C)c4-c4ccc(F)c(F)c4)n23)ccc1Cl,LAUQEVOMMFXKNC-UHFFFAOYSA-N,2,1,0.344,45,102,450.88,5.407,5,0.369,0.71,1.0,0.1796655472551573,0.43903776300459185,0.8853231444040847,0.9111267219518882,0.6037882941539305
EOS-2-02477,CC1(NC(=O)c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)COC1,CBPGJCJQTSXUHC-UHFFFAOYSA-N,2,1,0.517,90,536,450.886,2.937,5,0.481,0.75,1.0,0.5676273045027757,0.4210900555136728,0.36338324994859844,0.32511479679254335,0.4193038516893976
EOS-2-02478,Cn1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)c2)cc1CO,NXILIGSCIINLOR-UHFFFAOYSA-N,2,1,0.484,15,561,450.886,3.552,5,0.404,0.6,1.0,0.5872798300322116,0.5803834555547941,0.49303509012404906,0.45897299705297784,0.5299178431910081
EOS-2-02479,Clc1ccccc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4ccoc4)cn3)n12,XDWHRJWPYAMWKM-UHFFFAOYSA-N,2,1,0.368,32,20,450.889,5.829,6,0.336,0.65,1.0,0.25158488109108357,0.3303920224796107,0.7718542252073196,0.8451271331642793,0.5497395654855733
EOS-2-02480,Clc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)c1,INQKMHBWYXBYKL-UHFFFAOYSA-N,2,1,0.39,32,20,450.889,5.829,6,0.336,0.7,1.0,0.2700723048454527,0.3212682475498595,0.7787505996847371,0.8467805496538963,0.5542179254334865
EOS-2-02481,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)cc1,UELMIWWHEYRVPV-UHFFFAOYSA-N,2,1,0.384,93,479,450.889,5.829,6,0.336,0.77,1.0,0.26472654375985194,0.3740662051949832,0.8439791652388459,0.884415050373518,0.5917967411417997
EOS-2-02482,Clc1cc(-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)ccc1-c1ccccc1,DVYDEDVQABRPKV-UHFFFAOYSA-N,2,1,0.368,93,479,450.889,5.829,6,0.336,0.8,1.0,0.28066959084367077,0.3401668836954287,0.8291412514563772,0.8746487560825166,0.5811566205194983
EOS-2-02483,Clc1ccccc1-c1nnc2cncc(-c3ccccc3-c3nnc(-c4ccccc4)o3)n12,HRLBYJWLIWVETD-UHFFFAOYSA-N,2,1,0.477,93,897,450.889,5.829,6,0.336,0.69,1.0,0.2186536220958125,0.43473716674662466,0.667500514015489,0.7770886162703036,0.5244949797820575
EOS-2-02484,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)nc4)n23)cc1,ZXNCNOQRTKGYCF-UHFFFAOYSA-N,2,1,0.384,69,987,450.889,5.829,6,0.336,0.75,1.0,0.3303234870810774,0.44329552463847577,0.8611815502707149,0.8911914879035021,0.6314980124734425
EOS-2-02485,Clc1cc(-c2nnc3cncc(-c4ccc(-c5ccon5)nc4)n23)ccc1-c1ccccc1,PPJHFNRKNIQGAI-UHFFFAOYSA-N,2,1,0.373,93,93,450.889,5.829,6,0.336,0.77,1.0,0.2671938181070523,0.3452984716606127,0.8271622918237269,0.8733294496607498,0.5782460078130354
EOS-2-02486,Clc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)no2)cc1,DYQJKEQNENPFTM-UHFFFAOYSA-N,2,1,0.414,93,107,450.889,5.829,6,0.336,0.87,1.0,0.2460592145843328,0.49701014323898296,0.7127510108971283,0.8270851895003769,0.5707263895552053
EOS-2-02487,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,TXSJKRDBLWOXLD-UHFFFAOYSA-N,2,1,0.365,69,30,450.889,5.829,6,0.336,0.78,1.0,0.1993866081831266,0.35476492358303063,0.8522205469124803,0.8912000548283189,0.5743930333767391
EOS-2-02488,Clc1cc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)ccc1-c1cnco1,XZYBGGDJVLANIR-UHFFFAOYSA-N,2,1,0.342,69,220,450.889,5.829,6,0.336,0.68,1.0,0.2945651428963059,0.3835412240422178,0.7982403536426564,0.8521348776643136,0.5821203995613734
EOS-2-02489,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,FQDTVAGSRMECBE-UHFFFAOYSA-N,2,1,0.386,21,538,450.889,5.829,6,0.336,0.79,1.0,0.31532280172709204,0.4697159207730793,0.8505585634980467,0.8898721814817353,0.6313673668699884
EOS-2-02490,Clc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)o2)cc1,XEDLFLXMWMVIPF-UHFFFAOYSA-N,2,1,0.375,69,93,450.889,5.829,6,0.336,0.79,0.997,0.23528202316496472,0.4652696867932287,0.7623792063600849,0.8270937564251936,0.572506168185868
EOS-2-02491,Clc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)c1,MUBPNOZVXBYAOK-UHFFFAOYSA-N,2,1,0.362,69,30,450.889,5.829,6,0.336,0.73,1.0,0.33518950037694467,0.4166952230827222,0.8864454115550682,0.9065177164005209,0.636211962853814
EOS-2-02492,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)nc2)cc1,KRNPMPZOWLMXJS-UHFFFAOYSA-N,2,1,0.342,69,30,450.889,5.829,6,0.336,0.75,1.0,0.23228359947913096,0.3693115619217326,0.8611901171955315,0.8940100061681858,0.5891988211911452
EOS-2-02493,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cn1,NNVCSPMMUASFIJ-UHFFFAOYSA-N,2,1,0.373,69,30,450.889,5.829,6,0.336,0.76,1.0,0.2564423274621342,0.4120262490576383,0.8536854910561305,0.8886128435336852,0.602691727777397
EOS-2-02494,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)no5)n34)cc2)c1,ANDSBSMFLLWPAC-UHFFFAOYSA-N,2,1,0.425,93,107,450.889,5.829,6,0.336,0.83,1.0,0.23529059008978137,0.4347457336714413,0.7026077719141937,0.8173017613597423,0.5474864642587897
EOS-2-02495,Clc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1,XBBLPQSKFREBQQ-UHFFFAOYSA-N,2,1,0.449,93,107,450.889,5.829,6,0.336,0.88,1.0,0.31776437529984236,0.5330768967171544,0.7178911657871291,0.8291840860804606,0.5994791309711466
EOS-2-02496,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)nc1,PJXUASZFBIIBEI-UHFFFAOYSA-N,2,1,0.384,69,479,450.889,5.829,6,0.336,0.77,1.0,0.2806781577684874,0.4025340963607703,0.8251833321910766,0.8604362278116647,0.5922079535329998
EOS-2-02497,Clc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)c1,AGLWAZZYMBSJDQ-UHFFFAOYSA-N,2,1,0.4,69,479,450.889,5.829,6,0.336,0.82,1.0,0.24885203207456652,0.39273353437050235,0.8251918991158934,0.8604447947364814,0.5818055650743609
EOS-2-02498,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)nc1,GSPNSNIUTQBTSX-UHFFFAOYSA-N,2,1,0.389,69,30,450.889,5.829,6,0.336,0.76,1.0,0.322493317798643,0.43904632992940856,0.8611986841203482,0.8912086217531355,0.6284867384003838
EOS-2-02499,Clc1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)o5)n34)c2)ccn1,BDJVLNLMFKAZPM-UHFFFAOYSA-N,2,1,0.304,30,93,450.889,5.829,6,0.314,0.75,1.0,0.14946713727640326,0.2292680419436639,0.7958930162428894,0.8467891165787129,0.5053543280104174
EOS-2-02500,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)cc1,RVXDXHGKTCESRG-UHFFFAOYSA-N,2,1,0.384,93,479,450.889,5.829,6,0.336,0.76,1.0,0.307355561647591,0.43475430059625797,0.8163679665547255,0.8588599136453978,0.6043344356109931
EOS-2-02501,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)cc1,USQGLZMOLSDDLH-UHFFFAOYSA-N,2,1,0.414,93,107,450.889,5.829,6,0.336,0.83,1.0,0.30736412857240764,0.5751233637173601,0.7361215817969982,0.8372198615584949,0.6139572339113152
EOS-2-02502,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cc5)n34)cc2)cn1,DIITUOGGJUMYHE-UHFFFAOYSA-N,2,1,0.347,69,958,450.889,5.829,6,0.314,0.77,1.0,0.24886059899938318,0.38354979096703445,0.8596909053526146,0.8733380165855664,0.5913598279761496
EOS-2-02503,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)c1,VLZXWRDDPYYCJB-UHFFFAOYSA-N,2,1,0.411,93,107,450.889,5.829,6,0.336,0.86,1.0,0.22693783839353027,0.4652782537180454,0.7178997327119457,0.8291926530052772,0.5598271194571997
EOS-2-02504,Clc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,JZHQRZWCGWQOMG-UHFFFAOYSA-N,2,1,0.347,69,695,450.889,5.829,6,0.336,0.78,1.0,0.22122369954081283,0.3596480707285313,0.8005105887190734,0.8411949146734288,0.5556443184154616
EOS-2-02505,Cn1nccc1COc1cncc2nnc(-c3ccc(-c4cncn4CCO)c(Cl)c3)n12,QPWHMMKPDJZJLK-UHFFFAOYSA-N,2,1,0.442,36,448,450.89,2.613,5,0.406,0.71,1.0,0.3791035569871839,0.37873517922006716,0.38223048454526765,0.3572150640805976,0.37432107120827907
EOS-2-02506,COc1cc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5)nn4C)n23)ccc1Cl,LUMABLAUHKHLGI-UHFFFAOYSA-N,2,1,0.467,36,404,450.89,3.166,5,0.392,0.73,1.0,0.41662668768418887,0.647411075320403,0.4293485710369406,0.32512336371736,0.4546274244397231
EOS-2-02507,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5nc(C)oc5Cl)n34)nc2)cn1,HSWVAXKRNIFHKA-UHFFFAOYSA-N,2,1,0.406,31,779,450.89,3.641,5,0.369,0.73,1.0,0.32512336371736,0.3059762867521075,0.09978754026454664,0.09685765197724625,0.2069362106778151
EOS-2-02508,COc1cc(-c2nnc3cncc(OCc4cc(-c5nccn5C)nn4C)n23)ccc1Cl,YAJJDORWUABAGW-UHFFFAOYSA-N,2,1,0.447,36,67,450.89,3.166,5,0.392,0.62,0.998,0.43735864574052497,0.6141542731820986,0.27863922966212046,0.22584127201699677,0.38899835515043524
EOS-2-02509,Clc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)ccn1,DRZDRMJZOGROPI-UHFFFAOYSA-N,2,1,0.321,9,834,450.893,4.959,6,0.381,0.74,1.0,0.24886916592419986,0.35965663765334793,0.7764032622849701,0.8131468028236584,0.5495189671715441
EOS-2-02510,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)c1,RMAXHRVRLVJSDO-UHFFFAOYSA-N,2,1,0.317,30,298,450.893,4.754,6,0.385,0.76,1.0,0.01485504763210198,0.14970701117126997,0.5937135905695292,0.7256870673702968,0.3709906791857995
EOS-2-02511,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)c1,LKVZEVGBBFOMDJ-UHFFFAOYSA-N,2,1,0.333,32,673,450.893,4.754,6,0.385,0.7,0.989,0.01016893975738469,0.1650846412171887,0.642228085806319,0.7178740319374958,0.383838924679597
EOS-2-02512,Clc1cc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)cn2)ccn1,XOLSAYZQMTWFML-UHFFFAOYSA-N,2,1,0.31,30,317,450.893,4.754,6,0.36,0.69,1.0,0.0065279967103008705,0.12079363991501611,0.6032228771160304,0.687358645740525,0.35447578987046807
EOS-2-02513,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)n2)cc1,ZBTZBIMKXGBBGY-UHFFFAOYSA-N,2,1,0.324,30,298,450.893,4.754,6,0.385,0.66,0.997,0.03817421698307176,0.22927660886848056,0.46542389143992874,0.6233637173600165,0.33905960866287443
EOS-2-02514,Clc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cn5)n34)nc2)n[nH]1,FTSFIZQQFGPTKY-UHFFFAOYSA-N,2,1,0.296,30,737,450.893,4.959,6,0.407,0.76,0.906,0.18257830169282435,0.2855698718388047,0.6392639298197519,0.7256956342951134,0.45827693441162354
EOS-2-02515,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)c1,JMSFHRWTHGPOGH-UHFFFAOYSA-N,2,1,0.341,3,150,450.893,4.754,6,0.385,0.76,1.0,0.025546569803303405,0.17349736138715646,0.6729319443492564,0.7312041669522308,0.4007950106229867
EOS-2-02516,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)cc1,UOGOFFQTERMSHU-UHFFFAOYSA-N,2,1,0.341,3,783,450.893,4.754,6,0.385,0.76,1.0,0.018290384483585772,0.17350592831197315,0.6453036118155027,0.7470529778630662,0.39603822561853197
EOS-2-02517,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)nn1,IADSMQCPPGQEGY-UHFFFAOYSA-N,2,1,0.346,3,668,450.893,4.754,6,0.385,0.78,0.998,0.03283702282228771,0.15366493043657048,0.6508978137207868,0.7152696867932287,0.38816736344321845
EOS-2-02518,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)cc1,UEFNZPQEVJPFGV-UHFFFAOYSA-N,2,1,0.324,30,298,450.893,4.754,6,0.385,0.77,1.0,0.015703173188952094,0.16116098965115483,0.6094167637584813,0.7339541498183811,0.3800587691042423
EOS-2-02519,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)c1,WNVNBYOBEDPBDT-UHFFFAOYSA-N,2,1,0.322,3,783,450.893,4.754,6,0.385,0.72,1.0,0.014015489000068536,0.16116955657597148,0.629823178671784,0.7392742101295319,0.38607060859433895
EOS-2-02520,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)n1,PSSGGVIVLXHBIN-UHFFFAOYSA-N,2,1,0.343,41,150,450.893,4.754,6,0.36,0.76,1.0,0.01829895140840244,0.16509320814200534,0.6893204715235419,0.7470615447878829,0.4049435439654582
EOS-2-02521,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)n1,VGDHBNDUEQPGFN-UHFFFAOYSA-N,2,1,0.291,30,737,450.893,4.754,6,0.36,0.79,0.986,0.003580974573367144,0.10489342745528066,0.5808289356452607,0.6815931053389076,0.342724110753204
EOS-2-02522,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)n1,YVOFNNJSLXACRY-UHFFFAOYSA-N,2,1,0.338,30,991,450.893,4.754,6,0.36,0.77,1.0,0.030164142279487355,0.13847577273661846,0.5904324583647453,0.6931755876910424,0.36306199026797337
EOS-2-02523,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1,SMFLFTYRRMOAHZ-UHFFFAOYSA-N,2,1,0.333,69,834,450.893,4.959,6,0.407,0.72,1.0,0.15493283530943733,0.35001028030978,0.712759577821945,0.7909413336988554,0.5021610067850044
EOS-2-02524,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,UBVSOGSYQHMBOP-UHFFFAOYSA-N,2,1,0.346,3,783,450.893,4.754,6,0.385,0.69,1.0,0.03818278390788842,0.21884209444177918,0.5937221574943459,0.6985727503255431,0.38732994654238917
EOS-2-02525,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nn2)c1,CHHGYEHBJYNYQD-UHFFFAOYSA-N,2,1,0.333,3,783,450.893,4.754,6,0.385,0.74,1.0,0.017519361250085668,0.1735144952367898,0.6974504831745597,0.7957302446713728,0.42105364608320195
EOS-2-02526,Clc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,HEYZPPUVRXJXOM-UHFFFAOYSA-N,2,1,0.333,9,556,450.893,4.959,6,0.407,0.72,1.0,0.24606778150914949,0.3258772531012268,0.7412960043862655,0.7909499006236721,0.5260477349050785
EOS-2-02527,Clc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,WAWOSEBCKAUPOK-UHFFFAOYSA-N,2,1,0.372,9,834,450.893,4.959,6,0.407,0.67,1.0,0.23529915701459803,0.402542663285587,0.6893290384483586,0.7624391748338016,0.5224025083955863
EOS-2-02528,Clc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,BKRNXGTWMBOYGZ-UHFFFAOYSA-N,2,1,0.378,9,834,450.893,4.959,6,0.407,0.71,1.0,0.21866218902062914,0.35966520457816464,0.6759389349599068,0.7520817627304502,0.5015870228222877
EOS-2-02529,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(-c6ccccc6)c5)nn4)n23)cc1,SDPYHNYTSSZZMI-UHFFFAOYSA-N,2,1,0.395,3,668,450.893,4.754,6,0.385,0.72,0.968,0.0755003084092934,0.39274210129531906,0.6298317455966006,0.7312127338770475,0.45732172229456514
EOS-2-02530,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc[nH]6)cc5)n34)nc2)nn1,CJZQCWOCXPGDJB-UHFFFAOYSA-N,2,1,0.309,38,787,450.893,4.959,6,0.407,0.72,1.0,0.19117092728394217,0.2699780686724693,0.694657665684326,0.7546090055513672,0.47760391679802616
EOS-2-02531,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)cn1,IRSHCIODQWPWBZ-UHFFFAOYSA-N,2,1,0.346,42,150,450.893,4.754,6,0.36,0.74,1.0,0.018307518333219107,0.19491467342882599,0.7623877732849017,0.7979405112740731,0.4433876190802549
EOS-2-02532,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)c1,JGEAKQNGJJLENX-UHFFFAOYSA-N,2,1,0.291,30,298,450.893,4.754,6,0.385,0.79,1.0,0.003589541498183812,0.10838873278048111,0.5872541292577617,0.7312213008018642,0.3576134260845727
EOS-2-02533,Clc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)c1,PBKITNFDMSOOBS-UHFFFAOYSA-N,2,1,0.298,42,150,450.893,4.754,6,0.385,0.71,1.0,0.03819135083270509,0.16903399355767254,0.6974590500993764,0.754617572476184,0.41482549174148453
EOS-2-02534,Clc1cc(-c2cccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cn5)n34)c2)ccn1,LOHLGQGPKRGWLH-UHFFFAOYSA-N,2,1,0.306,32,787,450.893,4.959,6,0.381,0.67,1.0,0.2020423548762936,0.3304005894044274,0.7487149612774998,0.7934600095949558,0.5186544787882941
EOS-2-02535,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,VHNQDCKWUABIOW-UHFFFAOYSA-N,2,1,0.306,3,289,450.893,4.754,6,0.385,0.68,1.0,0.05685011308340758,0.21885066136659584,0.5345761085600713,0.6639366732917552,0.3685533890754575
EOS-2-02536,Clc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)n1,WINCNXCTBZLOFD-UHFFFAOYSA-N,2,1,0.368,93,774,450.893,4.754,6,0.36,0.76,0.999,0.018316085258035776,0.16510177506682203,0.5680727845932424,0.6725464327325064,0.35600926941265165
EOS-2-02537,Clc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)ccn1,DCTZJSREHPTJPL-UHFFFAOYSA-N,2,1,0.321,9,834,450.893,4.959,6,0.381,0.74,1.0,0.24887773284901651,0.3596737715029813,0.7764118292097869,0.8131553697484751,0.549529675827565
EOS-2-02538,Clc1ccc(-n2nnnc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,JNOANAXJOLHDBY-UHFFFAOYSA-N,2,1,0.377,93,689,450.893,4.754,6,0.385,0.72,1.0,0.053217736961140426,0.32127681447467615,0.557946679459941,0.7520903296552669,0.4211328901377561
EOS-2-02539,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn[nH]c6)cn5)n34)cc2)nc1,ZOJSJPDRBGJPCY-UHFFFAOYSA-N,2,1,0.321,38,479,450.893,4.959,6,0.407,0.69,1.0,0.2777825371804537,0.3740747721197999,0.7672709204304023,0.8064988691659242,0.556406774724145
EOS-2-02540,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)n1,LYSWMSMQGAOFGY-UHFFFAOYSA-N,2,1,0.313,30,150,450.893,4.754,6,0.36,0.76,1.0,0.020303611815502706,0.16117812350078817,0.6242204098416833,0.6873672126653416,0.3732673394558289
EOS-2-02541,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)nc1,DTQJXIXFVQQEER-UHFFFAOYSA-N,2,1,0.321,3,150,450.893,4.754,6,0.385,0.65,1.0,0.03397642382290453,0.20408984990747722,0.6453121787403193,0.7098639572339113,0.3983106024261531
EOS-2-02542,Clc1ccc(-c2n[nH]c(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cn1,QIMXMGPZKHGQDD-UHFFFAOYSA-N,2,1,0.368,93,651,450.893,4.959,6,0.381,0.76,0.97,0.26207079706668496,0.4520937564251936,0.6065639777945309,0.7257042012199301,0.5116081831265848
EOS-2-02543,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1,QCDQJYBWOPGOLV-UHFFFAOYSA-N,2,1,0.373,93,689,450.893,4.754,6,0.385,0.78,1.0,0.04847166061270646,0.30598485367692413,0.5179562744157358,0.7039784798848605,0.3940978171475567
EOS-2-02544,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cc1,OAGVNGGMUPNNHG-UHFFFAOYSA-N,2,1,0.327,30,298,450.893,4.754,6,0.385,0.76,0.963,0.0339849907477212,0.21885922829141252,0.534584675484888,0.672554999657323,0.3649959735453362
EOS-2-02545,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1,GDZBUQBLTXFJAK-UHFFFAOYSA-N,2,1,0.322,3,289,450.893,4.754,6,0.385,0.74,0.999,0.03149201562607087,0.2089130285792612,0.5579552463847577,0.6786203824275238,0.36924516825440334
EOS-2-02546,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,HCLGFZZVEZFHDL-UHFFFAOYSA-N,2,1,0.341,3,289,450.893,4.754,6,0.385,0.75,1.0,0.04112980604482215,0.22928517579329724,0.5747121513261599,0.6873757795901583,0.3831257281886094
EOS-2-02547,Clc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)cn1,VZOKYNNDNHIHSL-UHFFFAOYSA-N,2,1,0.312,69,98,450.893,4.959,6,0.381,0.7,1.0,0.21578370228222876,0.335258035775478,0.7787591666095538,0.7979490781988897,0.5319374957165376
EOS-2-02548,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)c1,VPYZJRPJVWEJDC-UHFFFAOYSA-N,2,1,0.39,93,538,450.893,4.959,6,0.407,0.8,1.0,0.28606675347817145,0.430033925022274,0.7787677335343705,0.8521434445891303,0.5867529641559865
EOS-2-02549,Clc1cccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cn5)n34)ccn2)c1,ANQVKYZCJBBYGZ-UHFFFAOYSA-N,2,1,0.303,32,20,450.893,4.959,6,0.407,0.7,0.955,0.1659584675484888,0.2751524912617367,0.7075937221574944,0.7770971831951203,0.48145046604071007
EOS-2-02550,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)c1,VJPMKRULXYGJOD-UHFFFAOYSA-N,2,1,0.333,3,150,450.893,4.754,6,0.385,0.75,1.0,0.01571174011376876,0.19492324035364267,0.7787763004591872,0.8271023233500103,0.45412840106915225
EOS-2-02551,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,OOOCZDWZWXSZID-UHFFFAOYSA-N,2,1,0.36,93,689,450.893,4.754,6,0.385,0.76,1.0,0.0887533411006785,0.3111335754917415,0.4585532177369611,0.6667294907819888,0.38129240627784244
EOS-2-02552,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,XNRWVRDTQWZCFX-UHFFFAOYSA-N,2,1,0.355,93,689,450.893,4.754,6,0.385,0.77,1.0,0.04693818107052292,0.28557843876362143,0.5,0.6931841546158591,0.3814251936125009
EOS-2-02553,Clc1ccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nn2)cc1,MDDHHVDYCNIWJA-UHFFFAOYSA-N,2,1,0.337,30,298,450.893,4.754,6,0.385,0.66,1.0,0.014863614556918649,0.17352306216160646,0.537985744637105,0.6873843465149749,0.3534391919676513
EOS-2-02554,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cn1,CDVUXRISEBCKDJ-UHFFFAOYSA-N,2,1,0.307,30,195,450.893,4.754,6,0.36,0.76,0.967,0.01572030703858543,0.1690425604824892,0.6702590638064561,0.7257127681447467,0.3951836748680694
EOS-2-02555,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)nc1,JTMZRQGKXWOONV-UHFFFAOYSA-N,2,1,0.375,93,991,450.893,4.754,6,0.385,0.76,1.0,0.027979576451237064,0.2138047426495785,0.5904410252895621,0.7257213350695634,0.38948666986498526
EOS-2-02557,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)cn1,LAVZDXOSWOVAEN-UHFFFAOYSA-N,2,1,0.368,93,991,450.893,4.754,6,0.36,0.76,1.0,0.011685285449934892,0.1777465560962237,0.6566804879720376,0.7599204989377013,0.4015082071139744
EOS-2-02558,Clc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,AHLZCYSJTGSSQX-UHFFFAOYSA-N,2,1,0.354,69,834,450.893,4.959,6,0.407,0.74,1.0,0.26720238503186894,0.397590980741553,0.6702676307312727,0.7546261394010007,0.5224217839764238
EOS-2-02559,Clc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c1,DBFDUIMHMLMMNE-UHFFFAOYSA-N,2,1,0.351,93,991,450.893,4.754,6,0.385,0.75,1.0,0.026840175450620247,0.16118669042560482,0.6509063806456035,0.7700551709958193,0.40224710437941197
EOS-2-02560,Clc1ccc(-n2cnnc2-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,CZMQNRTVAPZEKJ-UHFFFAOYSA-N,2,1,0.367,3,550,450.893,4.754,6,0.385,0.77,1.0,0.025555136728120074,0.19954937975464326,0.6675090809403057,0.7841648961688712,0.4191946233979851
EOS-2-02561,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)c1,QWTPNKOTAHHWHT-UHFFFAOYSA-N,2,1,0.337,3,50,450.893,4.754,6,0.385,0.71,1.0,0.021323075868686175,0.18621067781509149,0.7284884517853472,0.7863408950723049,0.43059077513535743
EOS-2-02562,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc1,VMDNXCCKZPWGJR-UHFFFAOYSA-N,2,1,0.301,30,298,450.893,4.754,6,0.385,0.74,0.532,0.01930984853676924,0.16511034199163868,0.527928174902337,0.6786289493523405,0.3477443286957714
EOS-2-02563,Clc1cnccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nn1,WVRGXDABJNRSBI-UHFFFAOYSA-N,2,1,0.361,93,991,450.893,4.754,6,0.385,0.7,1.0,0.03284558974710438,0.1611952573504215,0.6359056952916181,0.759929065862518,0.3974689020629155
EOS-2-02564,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nn2)c1,CLEBEGLKVWGYTN-UHFFFAOYSA-N,2,1,0.341,3,783,450.893,4.754,6,0.385,0.79,1.0,0.011693852374751559,0.16511890891645534,0.6838547734905078,0.7888253032691385,0.4123732095127133
EOS-2-02565,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1,RKBNCWPTKPFYFM-UHFFFAOYSA-N,2,1,0.359,3,991,450.893,4.754,6,0.385,0.71,1.0,0.008189980124734425,0.17775512302104038,0.697467617024193,0.7934685765197724,0.41922032417243504
EOS-2-02566,CCCn1nc(-c2nnn(C)n2)cc1-c1cncc2nnc(-c3ccc(Cl)c(OC)c3)n12,GFDIREVZQODVSX-UHFFFAOYSA-N,2,1,0.33,36,542,450.894,2.917,5,0.388,0.61,1.0,0.24320642862038241,0.2909841683229388,0.02787677335343705,0.044282434377355906,0.15158745116852854
EOS-2-02567,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nn2C)c(C)n1,VQBBBYUDYCEDNB-UHFFFAOYSA-N,2,1,0.371,92,105,450.894,2.739,5,0.388,0.69,0.674,0.08876190802549516,0.1458090603796861,0.041969364676855594,0.03933931875813858,0.07896991296004385
EOS-2-02568,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nn2C)cn1,BZJFCPJUGVDFHO-UHFFFAOYSA-N,2,1,0.386,53,602,450.894,2.473,5,0.371,0.66,1.0,0.16596703447330546,0.14209958193406894,0.04508772531012268,0.05094750188472346,0.10102546090055514
EOS-2-02569,Oc1cc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)ccc1-c1ccncn1,MCRQCIDNKPPJHM-UHFFFAOYSA-N,2,1,0.506,35,438,450.911,4.29,5,0.412,0.52,1.0,0.8332790761428278,0.777773970255637,0.603231444040847,0.5963093687889796,0.7026484648070728
EOS-2-02570,COc1cc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)cn4)n23)ccc1Cl,ODXXBAVFGOXRNZ-UHFFFAOYSA-N,2,1,0.488,51,969,450.911,4.551,5,0.375,0.72,1.0,0.8357720512644781,0.8334846823384278,0.6154136111301487,0.5685868000822425,0.7133142862038243
EOS-2-02571,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cnccn1,FPISOLQKVDAJCK-UHFFFAOYSA-N,2,1,0.495,16,248,450.911,4.551,5,0.375,0.71,1.0,0.7594321842231513,0.7565793982592008,0.6298403125214174,0.5556079089849908,0.67536495099719
EOS-2-02572,COc1cc(-c2nnc3cncc(OCc4nnc(-c5ccccc5)s4)n23)ccc1Cl,WKTHPGWDSLVAEU-UHFFFAOYSA-N,2,1,0.5,1,372,450.911,4.551,5,0.375,0.76,1.0,0.6595761085600713,0.8224419162497429,0.3970169967788363,0.4305222397368241,0.5773893153313686
EOS-2-02573,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cccnc1,RDKWEUCEGUYTKJ-UHFFFAOYSA-N,2,1,0.456,49,122,450.911,4.551,5,0.375,0.72,1.0,0.6214275923514495,0.5998732095127133,0.4794222465903639,0.4396974162154753,0.5351051161675006
EOS-2-02574,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cncnc1,XVNKBWLMUNTCCC-UHFFFAOYSA-N,2,1,0.489,4,83,450.911,4.551,5,0.375,0.66,1.0,0.7654718662189021,0.7649664176547186,0.6974761839490097,0.6262079363991502,0.7135306010554452
EOS-2-02575,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5sccc5Cl)nn4)n23)cc1,JQANIHCZCHYNDU-UHFFFAOYSA-N,2,1,0.523,72,268,450.911,4.035,5,0.417,0.75,1.0,0.7739788225618532,0.7340226852169145,0.5714909875950929,0.5963179357137962,0.6689526077719141
EOS-2-02576,COc1cc(-c2nnc3cncc(OCc4nccc(-c5ccsc5)n4)n23)ccc1Cl,FAFDENVBCBKRRU-UHFFFAOYSA-N,2,1,0.461,16,67,450.911,4.551,5,0.375,0.75,1.0,0.8332876430676445,0.8367915153176616,0.5549996573230074,0.512404907134535,0.6843709307107121
EOS-2-02577,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cccnn1,ZISMHUQNUUVRLW-UHFFFAOYSA-N,2,1,0.495,72,224,450.911,4.551,5,0.375,0.72,1.0,0.7478754026454664,0.7476869302994997,0.6183520663422658,0.5588804742649579,0.6681987183880475
EOS-2-02578,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)nc1,YVFLRMPNKXAVII-UHFFFAOYSA-N,2,1,0.518,4,921,450.911,4.035,5,0.417,0.74,1.0,0.6534250565417038,0.6864505517099582,0.5747207182509766,0.5556164759098075,0.6175532006031115
EOS-2-02579,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5cccs5)n4)n23)ccc1Cl,PWUJBYQZYBJFOL-UHFFFAOYSA-N,2,1,0.534,4,67,450.911,4.551,5,0.375,0.79,1.0,0.7994739908162566,0.8769446919333836,0.5035295730244671,0.45898156397779455,0.6597324549379755
EOS-2-02580,Oc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,ZSWSOAWVABYHGG-UHFFFAOYSA-N,2,1,0.495,58,954,450.911,4.29,5,0.412,0.6,0.99,0.7328147488177644,0.8107651977246247,0.41097251730518813,0.42745528065245697,0.5955019361250086
EOS-2-02581,COc1cc(-c2nnc3cncc(OCc4csc(-c5cccnc5)n4)n23)ccc1Cl,MDLAZNXTCQCYFD-UHFFFAOYSA-N,2,1,0.558,4,67,450.911,4.551,5,0.375,0.74,1.0,0.6960883421287095,0.7987800699061065,0.5379943115619217,0.492469673086149,0.6313330991707217
EOS-2-02582,COc1cc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)ccc1-c1cncnc1,JTLIBSPTPUUEKN-UHFFFAOYSA-N,2,1,0.483,16,83,450.911,4.551,5,0.375,0.6,1.0,0.8332962099924611,0.7433006647933658,0.7413045713110822,0.6580768967171544,0.7439945857035157
EOS-2-02583,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cnsc5)cn4)n23)ccc1Cl,UOCNASOREGCIQA-UHFFFAOYSA-N,2,1,0.6,97,67,450.911,4.551,5,0.375,0.66,1.0,0.6270646288808169,0.7476954972243164,0.7179082996367624,0.6496984442464533,0.6855917174970872
EOS-2-02584,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nccs1,IOFLXXBQGPJAKG-UHFFFAOYSA-N,2,1,0.529,11,201,450.911,4.29,5,0.385,0.59,1.0,0.8333047769172778,0.8334932492632444,0.5345932424097046,0.5158573778356521,0.6793121616064697
EOS-2-02585,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)s4)n23)ccc1Cl,LGCUKAFQGKDNPK-UHFFFAOYSA-N,2,1,0.5,97,67,450.911,4.551,5,0.375,0.75,1.0,0.8101997806867247,0.7907014598039888,0.5514957850729902,0.5057141388527174,0.6645277911041053
EOS-2-02586,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)ccc1Cl,HMPWMJHKGPLSQY-UHFFFAOYSA-N,2,1,0.583,4,850,450.911,4.551,5,0.375,0.73,1.0,0.7112603659790282,0.8107737646494414,0.6702761976560894,0.5963265026386129,0.6971592077307929
EOS-2-02587,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccccn1,NENKEFOWALUGQJ-UHFFFAOYSA-N,2,1,0.483,49,122,450.911,4.551,5,0.375,0.6,1.0,0.607463504900281,0.6093396614351313,0.39702556370365294,0.3671955314920156,0.49525606538277017
EOS-2-02588,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cscn1,AIUJAKAHLQOPAZ-UHFFFAOYSA-N,2,1,0.477,97,383,450.911,4.551,5,0.35,0.75,1.0,0.7994825577410732,0.7291481049962305,0.6893376053731752,0.605373175245014,0.7058353608388732
EOS-2-02589,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ccnc(Cl)c1,IOBNFPCSYSIUCL-UHFFFAOYSA-N,2,1,0.477,97,103,450.911,4.551,5,0.35,0.63,1.0,0.7536752107463505,0.6962853813994928,0.6509149475704201,0.5963350695634295,0.6743026523199233
EOS-2-02590,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5sc(Cl)nc5C)n34)ccn2)n1,SLBOKKFZUKTCEQ-UHFFFAOYSA-N,2,1,0.455,7,99,450.915,3.949,5,0.396,0.62,1.0,0.5256922075251867,0.5470752518675897,0.1242546775409499,0.12571105475978342,0.3306832979233775
EOS-2-02591,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)s1,OBPSJIYZCVZLLR-UHFFFAOYSA-N,2,1,0.489,87,132,450.915,3.683,5,0.386,0.72,1.0,0.5676358714275923,0.6474196422452196,0.1511633883901035,0.17487663628264,0.38527388458638884
EOS-2-02592,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)s1,ZKFUJMIBURAWKF-UHFFFAOYSA-N,2,1,0.473,20,279,450.915,3.683,5,0.386,0.68,1.0,0.5561904598725241,0.642150983482969,0.15401617435405388,0.17762661914879035,0.3824960592145843
EOS-2-02593,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ccn2)s1,JUMURZIYUIDTJT-UHFFFAOYSA-N,2,1,0.478,75,661,450.915,3.683,5,0.386,0.64,1.0,0.6046963881844973,0.6421595504077856,0.1217531354944829,0.15101775066822012,0.37990670618874656
EOS-2-02594,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)c2)cn1,BWCNYKYHKYMGFT-UHFFFAOYSA-N,2,1,0.413,18,720,450.915,3.683,5,0.386,0.64,1.0,0.47280858063189635,0.5059540127475841,0.13586286066753478,0.16403090946473853,0.31966409087793846
EOS-2-02595,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)s1,RIMLAXRITWSTHY-UHFFFAOYSA-N,2,1,0.5,87,142,450.915,3.683,5,0.361,0.6,1.0,0.5435799465423892,0.6279298882873003,0.21369337262696184,0.24928894524021658,0.40862303817421697
EOS-2-02596,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)ccn2)n1,SPKVVGJGYJKYDA-UHFFFAOYSA-N,2,1,0.478,75,530,450.915,3.683,5,0.386,0.63,1.0,0.5813086834349942,0.5857206497155781,0.13284730313206772,0.16946233979850592,0.36733474402028654
EOS-2-02597,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)s1,YUMMRCHXFPWCFM-UHFFFAOYSA-N,2,1,0.433,31,194,450.915,3.683,5,0.386,0.69,0.951,0.5051744225892674,0.5330854636419711,0.17658145432115688,0.21168871221986155,0.3566325131930642
EOS-2-02598,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)s1,GTYWNAMOEMMXRZ-UHFFFAOYSA-N,2,1,0.505,87,838,450.915,3.683,5,0.386,0.64,1.0,0.5284764580906038,0.6279384552121171,0.16044993489137138,0.20270200808717703,0.3798917140703173
EOS-2-02599,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)s1,QEXQXPRUVOCUBW-UHFFFAOYSA-N,2,1,0.426,18,194,450.915,3.683,5,0.361,0.66,1.0,0.5539030909464738,0.5612192447399081,0.2278116647248304,0.24368617641011583,0.3966550442053321
EOS-2-02600,Cc1nc(-c2cncs2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,HSLNSETWEPYUGR-UHFFFAOYSA-N,2,1,0.455,18,578,450.915,3.683,5,0.361,0.64,1.0,0.5435885134672058,0.5563360975944075,0.20689980124734425,0.23482797614968132,0.38541309711465976
EOS-2-02601,N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)s1,DKBMIRHESNHIBB-UHFFFAOYSA-N,2,1,0.541,15,669,450.915,3.392,5,0.383,0.6,1.0,0.687101637996025,0.6141628401069152,0.3260914262216435,0.3282674251250771,0.48890583236241514
EOS-2-02602,CCc1ncncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ncn1,FSOKQWPCQWZDQD-UHFFFAOYSA-N,2,1,0.392,31,395,450.915,3.895,5,0.383,0.54,0.829,0.43966314851620864,0.4970187101637996,0.2032160235761771,0.22584983894181346,0.34143693029949973
EOS-2-02603,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)s1,YFEDPKDEGHCPIG-UHFFFAOYSA-N,2,1,0.488,20,628,450.915,3.683,5,0.386,0.61,1.0,0.5357926118840382,0.6864591186347748,0.11878897950791584,0.1589335891988212,0.3749935748063875
EOS-2-02604,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)cs1,AMEGCOWAPYVVCG-UHFFFAOYSA-N,2,1,0.478,75,819,450.915,3.683,5,0.386,0.76,1.0,0.5813172503598109,0.6141714070317319,0.1479936262079364,0.1694709067233226,0.37823829758070043
EOS-2-02605,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)s1,FZCAXMCJTUVQMM-UHFFFAOYSA-N,2,1,0.542,75,241,450.915,3.683,5,0.361,0.66,1.0,0.6325731615379343,0.6474282091700363,0.17337742443972312,0.21169727914467823,0.41626901857309295
EOS-2-02606,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)c2)s1,KOUJOOHVJYXQSM-UHFFFAOYSA-N,2,1,0.424,92,142,450.915,3.949,5,0.396,0.69,1.0,0.46772839421561235,0.5148636145569186,0.2494431498869166,0.25560276883010075,0.3719094818723871
EOS-2-02607,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)ns1,MSBLBGNCYLVQSR-UHFFFAOYSA-N,2,1,0.549,65,981,450.915,3.683,5,0.386,0.66,1.0,0.6016979644986635,0.7521331642793503,0.14800219313275306,0.1967736961140429,0.42465175450620246
EOS-2-02608,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)ncn2)cn1,QHYBFNOMBOJRAO-UHFFFAOYSA-N,2,1,0.427,31,238,450.915,3.683,5,0.386,0.62,0.999,0.5077016654101844,0.5285706942635872,0.15716023576177096,0.1887122198615585,0.34553620382427525
EOS-2-02609,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)s1,YXNLSQFGBSJWKN-UHFFFAOYSA-N,2,1,0.516,65,142,450.915,3.683,5,0.386,0.64,1.0,0.564680282365842,0.652542663285587,0.19970358440134328,0.24929751216503324,0.41655601055445135
EOS-2-02610,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)s1,PSNIZFWNTDGLRS-UHFFFAOYSA-N,2,1,0.5,87,142,450.915,3.683,5,0.361,0.62,1.0,0.5284850250154205,0.6327959015831677,0.20322459050099376,0.23783496676033172,0.4005851209649784
EOS-2-02611,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)cn2)s1,LNNRHNJWAVVEBQ-UHFFFAOYSA-N,2,1,0.533,65,904,450.915,3.683,5,0.386,0.63,1.0,0.6534336234665205,0.7945394421218559,0.17659002124597353,0.22290281680487972,0.46186647590980734
EOS-2-02612,Cc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3nccnc3Cl)n12,KGODNUKTJDQPRF-UHFFFAOYSA-N,2,1,0.484,58,579,450.915,3.683,5,0.386,0.6,0.956,0.5988537454595299,0.7155266945377288,0.07416386813789322,0.10314577479268042,0.37292252073195803
EOS-2-02613,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)n1,BVSYEGNZKKVDSS-UHFFFAOYSA-N,2,1,0.473,87,227,450.915,3.683,5,0.386,0.62,1.0,0.6811219244739908,0.6914108011788088,0.18942327462134192,0.23196662326091427,0.448480655883764
EOS-2-02614,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)s1,ZXIIUMCDERCMOD-UHFFFAOYSA-N,2,1,0.488,15,628,450.915,3.683,5,0.386,0.55,1.0,0.5590518127612912,0.6814731683914742,0.09037248989102871,0.13430368035090123,0.36630028784867386
EOS-2-02615,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)cs1,NEBFLKMEYGSRNW-UHFFFAOYSA-N,2,1,0.458,87,858,450.915,3.683,5,0.386,0.63,0.999,0.5384483585772051,0.5803920224796107,0.144986635597286,0.177635186073607,0.3603655506819272
EOS-2-02616,Cc1nccc(-c2ccc(-c3nnc4cncc(OCc5nc(C)ns5)n34)c(Cl)c2)n1,NFBLWMXCSRTPGP-UHFFFAOYSA-N,2,1,0.466,7,677,450.915,3.949,5,0.396,0.74,1.0,0.41893119045987254,0.5904838599136454,0.1420053457610856,0.17228085806318963,0.3309253135494483
EOS-2-02617,N=c1[nH]c(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cs1,IDCJMVIVQCHPQA-UHFFFAOYSA-N,2,1,0.523,75,669,450.915,3.392,5,0.383,0.54,0.999,0.6751165101775067,0.5751319306421767,0.38959803988760194,0.36720409841683227,0.5017626447810294
EOS-2-02618,N=c1[nH]c(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)cs1,HADHKROLPMHFEZ-UHFFFAOYSA-N,2,1,0.522,75,141,450.915,3.392,5,0.409,0.58,0.98,0.6751250771023234,0.5804005894044274,0.32974093619354394,0.32827599204989377,0.47838564868754707
EOS-2-02619,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ncn2)cn1,HZASIUHFDWZQCU-UHFFFAOYSA-N,2,1,0.4,31,296,450.915,3.683,5,0.386,0.52,0.952,0.5590603796861079,0.5330940305667877,0.22408505242957988,0.2436947433349325,0.389983551504352
EOS-2-02620,Cc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc(-c2nccs2)n1,WHBHFTMRWDXJDK-UHFFFAOYSA-N,2,1,0.468,20,279,450.915,3.683,5,0.386,0.59,1.0,0.5961465972174628,0.637610513330135,0.12426324446576657,0.14836200397505311,0.37659558974710433
EOS-2-02621,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)cn2)cs1,ZKMPNQDWLROXFS-UHFFFAOYSA-N,2,1,0.5,58,579,450.915,3.683,5,0.386,0.67,0.999,0.5813258172846275,0.7155352614625454,0.11011925159344801,0.14111438558015216,0.3870236789801933
EOS-2-02622,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)n1,KDJAVLTYLLNFOP-UHFFFAOYSA-N,2,1,0.394,31,296,450.915,3.683,5,0.386,0.49,0.878,0.629771777122884,0.5563446645192242,0.1829638133095744,0.21473853745459529,0.39595469810156947
EOS-2-02623,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cs1,BPFPVUKPEMFWCM-UHFFFAOYSA-N,2,1,0.484,20,579,450.915,3.683,5,0.386,0.71,1.0,0.5813343842094442,0.7291566719210473,0.14201391268590227,0.1640394763895552,0.40413611130148724
EOS-2-02624,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)ccn2)s1,NFLHHVJFEUBYEX-UHFFFAOYSA-N,2,1,0.512,75,496,450.915,3.683,5,0.361,0.69,1.0,0.7299019943800973,0.7014683709135768,0.20323315742581044,0.19962648207799327,0.45855750119936944
EOS-2-02625,Cc1nc(-c2scnc2C)cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)n1,NVPWGPJEWMEGTM-UHFFFAOYSA-N,2,1,0.477,46,500,450.915,3.949,5,0.396,0.7,1.0,0.4098845178534713,0.4740764855047632,0.12999451716811733,0.14837057089986977,0.2905815228565554
EOS-2-02626,Cc1cc(Cl)nc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cn2)n1,WBEAZFRKDMNODY-UHFFFAOYSA-N,2,1,0.516,65,981,450.915,3.683,5,0.361,0.64,1.0,0.6355972859982181,0.7864608320197382,0.13915255979713523,0.15618360633267084,0.4293485710369406
EOS-2-02627,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)c2)cn1,CTDFPDQKNKNAFQ-UHFFFAOYSA-N,2,1,0.432,18,367,450.915,3.683,5,0.386,0.77,1.0,0.39904735796038654,0.4874323212939483,0.10746350490028099,0.1667037900075389,0.2901617435405387
EOS-2-02628,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)s1,PHFPHTGFLABLOE-UHFFFAOYSA-N,2,1,0.518,75,241,450.915,3.683,5,0.386,0.64,0.999,0.6386299773833185,0.6620690836817216,0.16045850181618806,0.21170584606949489,0.41821585223768076
EOS-2-02629,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)ccn2)nn1,LJPOFMYQASYTGC-UHFFFAOYSA-N,2,1,0.495,75,241,450.915,3.683,5,0.386,0.72,1.0,0.5307466931670207,0.5998817764375299,0.130003084092934,0.16404804331437187,0.3561698992529641
EOS-2-02630,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)s1,XXULLUJSWRXXJA-UHFFFAOYSA-N,2,1,0.538,87,579,450.915,3.683,5,0.386,0.68,1.0,0.6270731958056336,0.7987886368309232,0.12427181139058324,0.16405661023918855,0.42854756356658213
EOS-2-02631,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)s1,UPWDKENECFYBPT-UHFFFAOYSA-N,2,1,0.494,72,482,450.915,3.683,5,0.386,0.68,1.0,0.6781834692618738,0.7605116167500514,0.11591049276951546,0.1561921732574875,0.42769943800973204
EOS-2-02632,Cc1csc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)n1,YGMHYPYXJDQJAW-UHFFFAOYSA-N,2,1,0.478,75,819,450.915,3.683,5,0.386,0.68,1.0,0.5813429511342608,0.6328044685079843,0.11591905969433212,0.1387841820300185,0.36721266534164887
EOS-2-02633,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)s1,WIXQTAFQVBWSQU-UHFFFAOYSA-N,2,1,0.554,75,241,450.915,3.683,5,0.361,0.65,1.0,0.6474453430196696,0.6717240079501062,0.1637225001713385,0.19963504900280996,0.4206317250359811
EOS-2-02634,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cn2)s1,VAYZABJQAPNAHX-UHFFFAOYSA-N,2,1,0.533,65,434,450.915,3.683,5,0.361,0.65,1.0,0.7174628195462956,0.8146888492906587,0.19623397985059282,0.1914279350284422,0.47995339592899733
EOS-2-02635,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ncc(Cl)nn5)n34)c2)cs1,ARUZESNUSSZXHP-UHFFFAOYSA-N,2,1,0.495,15,438,450.915,3.683,5,0.386,0.7,1.0,0.6270817627304502,0.6864676855595915,0.09720032896991296,0.13642827770543486,0.3867945137413474
EOS-2-02636,CCc1csc(COc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)n1,WDCQTTABXNMHHL-UHFFFAOYSA-N,2,1,0.444,54,670,450.915,3.895,5,0.383,0.7,0.552,0.37455451990953326,0.48263484339661433,0.11291206908368172,0.16164073744088822,0.2829355424576794
EOS-2-02637,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)s1,PDAHCDMZYABLCK-UHFFFAOYSA-N,2,1,0.483,75,279,450.915,3.683,5,0.386,0.63,0.999,0.5731444040847098,0.6190802549516825,0.1159276266191488,0.1411229525049688,0.3623188095401275
EOS-2-02638,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)s1,VSVAJFWTBZISMN-UHFFFAOYSA-N,2,1,0.489,58,954,450.915,3.683,5,0.361,0.68,0.998,0.5844784456171612,0.7777825371804538,0.10499623055308066,0.1461003358234528,0.4033393872935371
EOS-2-02639,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2Cl)s1,NWPPTDSUOIOJOF-UHFFFAOYSA-N,2,1,0.595,35,393,450.915,3.392,5,0.409,0.63,1.0,0.6719981495442396,0.6376190802549517,0.3633918168734151,0.38005448564183403,0.5132658830786102
EOS-2-02640,Cc1cncc(-c2cc(Cl)nc(-c3nnc4cncc(OCc5nc(C)cs5)n34)c2)n1,JGYQOGXDCFJGJE-UHFFFAOYSA-N,2,1,0.409,7,464,450.915,3.949,5,0.371,0.63,1.0,0.35850866972791445,0.40716023576177096,0.14499520252210266,0.14837913782468645,0.2647608114591186
EOS-2-02641,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)nn1,FJJBXLMXWGLCDY-UHFFFAOYSA-N,2,1,0.479,87,510,450.915,3.683,5,0.386,0.71,1.0,0.7508395586320334,0.8263141662668768,0.14202247961071893,0.18326365567815778,0.47560996504694675
EOS-2-02642,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5scnc5Cl)n34)cn2)cn1,MDFOWSLLMTZNGM-UHFFFAOYSA-N,2,1,0.539,65,981,450.915,3.683,5,0.386,0.63,1.0,0.632581728462751,0.7987972037557398,0.13916112672195188,0.16671235693235556,0.4343131039681996
EOS-2-02643,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)s1,PFKUQKWIVLTAOF-UHFFFAOYSA-N,2,1,0.533,58,981,450.915,3.683,5,0.361,0.7,1.0,0.6242546775409499,0.810782331574258,0.16046706874100472,0.19412651634569256,0.4474076485504763
EOS-2-02644,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)cn2)s1,SGXGILNFCUYTHE-UHFFFAOYSA-N,2,1,0.527,58,981,450.915,3.683,5,0.361,0.62,0.999,0.67513364402714,0.8224504831745597,0.13587142759235146,0.18327222260297443,0.45418194434925635
EOS-2-02645,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)s1,MDVREIFNJXMYFB-UHFFFAOYSA-N,2,1,0.549,65,981,450.915,3.683,5,0.386,0.69,0.999,0.6627972722911384,0.7988057706805565,0.15716880268658762,0.20570899869782744,0.45612021108902745
EOS-2-02646,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)s1,ZOQURDVMVCEUGF-UHFFFAOYSA-N,2,1,0.43,18,194,450.915,3.683,5,0.386,0.66,0.948,0.5590689466109245,0.5612278116647248,0.2137019395517785,0.24637619080254952,0.39509372215749433
EOS-2-02647,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cnncc5Cl)n34)c2)s1,ZVERHAXUKBDYLS-UHFFFAOYSA-N,2,1,0.545,72,628,450.915,3.683,5,0.386,0.6,1.0,0.6871102049208416,0.7945480090466726,0.2032417243506271,0.2556113357549174,0.4851278185182647
EOS-2-02648,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)s1,NLIWTDGJVBLKJX-UHFFFAOYSA-N,2,1,0.505,58,241,450.915,3.683,5,0.361,0.64,0.994,0.5844870125419779,0.6668579946542389,0.10747207182509766,0.1483877047495031,0.37680119594270434
EOS-2-02649,CCc1ncncc1-c1ccnc(-c2nnc3cncc(OCc4nc(Cl)cs4)n23)c1,CZEUZDZOCGWDHA-UHFFFAOYSA-N,2,1,0.406,7,544,450.915,3.895,5,0.383,0.64,0.959,0.37911212391200055,0.46105475978342814,0.14801076005756975,0.1640651771640052,0.2880607052292509
EOS-2-02650,N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)s1,FNRXUIRGMQKMEX-UHFFFAOYSA-N,2,1,0.484,11,848,450.915,3.392,5,0.383,0.6,1.0,0.6503323966828867,0.5857292166403948,0.24224693304091563,0.267613597423069,0.43648053594681646
EOS-2-02651,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cs1,FEKUGCJYMZDTKE-UHFFFAOYSA-N,2,1,0.443,87,279,450.915,3.683,5,0.386,0.62,1.0,0.5358011788088548,0.590492426838462,0.18297238023439105,0.2057175656226441,0.378745887876088
EOS-2-02652,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)ns1,QDBDBOVGJFBNCK-UHFFFAOYSA-N,2,1,0.516,65,131,450.915,3.683,5,0.386,0.62,1.0,0.5590775135357412,0.6232951819614831,0.18629634706325818,0.23784353368514838,0.4016281440614077
EOS-2-02653,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)cc1,QXQKXAWKWJXILB-UHFFFAOYSA-N,2,1,0.627,57,23,450.926,5.934,5,0.321,0.79,1.0,0.9839198821191145,0.9837828113220478,0.9004351997806868,0.9271126036597903,0.9488126242204099
EOS-2-02654,N#Cc1cc(-c2nnc3cncc(OCc4nc(-c5ccsc5)cs4)n23)ccc1Cl,OUJMHMJWBAQILH-UHFFFAOYSA-N,2,1,0.541,4,436,450.936,5.08,5,0.371,0.75,1.0,0.7143273250633952,0.8565811116441642,0.6865447878829415,0.7282657117401138,0.7464297340826537
EOS-2-02655,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)cn1,AIWYHQYMAUYYPN-UHFFFAOYSA-N,2,1,0.53,15,438,450.955,5.011,5,0.348,0.63,1.0,0.3990559248852032,0.4390548968542252,0.5279367418271538,0.5327170858748543,0.47469116236035913
EOS-2-02656,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,GTYIHBKXYBQCIO-UHFFFAOYSA-N,2,1,0.5,15,561,450.955,5.011,5,0.348,0.7,1.0,0.4120605167569049,0.469724487697896,0.4794308135151806,0.48939414707696527,0.4626524912617367
EOS-2-02657,Cc1nn(C)cc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,KURUOCDCSWMPNK-UHFFFAOYSA-N,2,1,0.517,15,561,450.955,4.837,5,0.37,0.7,1.0,0.5126790487286683,0.5612363785895415,0.4828575834418477,0.4683280789527791,0.5062752724282091
EOS-2-02658,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccn(C)c5Cl)n34)c2)cs1,XGDGYFLFCASVKG-UHFFFAOYSA-N,2,1,0.53,15,684,450.955,4.837,5,0.37,0.75,1.0,0.6297803440477007,0.6765471866218902,0.5579638133095743,0.532725652799671,0.599254249194709
EOS-2-02659,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,WSTFODZZHFRRTJ-UHFFFAOYSA-N,2,1,0.479,26,561,450.955,5.011,5,0.348,0.71,1.0,0.6474539099444864,0.6141799739565486,0.4930436570488657,0.49560516756904943,0.5625706771297375
EOS-2-02660,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)n1C,OTJSOEQGLDMSCL-UHFFFAOYSA-N,2,1,0.549,15,438,450.955,4.837,5,0.37,0.58,1.0,0.5844955794667946,0.5804091563292441,0.49645329312589953,0.4802275375231307,0.5353963916112673
EOS-2-02661,Cc1cc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)sn1,BCVDJMFYYRMKJP-UHFFFAOYSA-N,2,1,0.545,11,684,448.939,4.893,5,0.368,0.73,1.0,0.6297889109725173,0.7155438283873621,0.41458775957782196,0.48349153587828114,0.5608530087039957
EOS-2-02662,Cc1ccc(-c2ncccc2-c2nnc3cncc(OCCc4ccsc4Cl)n23)cn1,ABFDAJUIJSDMIJ-UHFFFAOYSA-N,2,1,0.495,35,393,448.939,4.893,5,0.368,0.54,1.0,0.7417843191008155,0.7864693989445548,0.4964618600507162,0.5124134740593517,0.6342822630388596
EOS-2-02663,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)c2)cs1,NPKZYIPMMGTQBB-UHFFFAOYSA-N,2,1,0.529,11,684,448.939,4.893,5,0.344,0.75,1.0,0.7654804331437187,0.8224590500993764,0.5035381399492838,0.5124220409841683,0.6509749160441368
EOS-2-02664,Clc1cccc(CCOCc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)n1,ZRFGBOFGTOMAPM-UHFFFAOYSA-N,2,1,0.365,14,18,448.939,4.723,5,0.265,0.76,1.0,0.29973099856075663,0.29597011856623945,0.4145963265026386,0.47734905078473033,0.3719116236035913
EOS-2-02665,Cc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)c(Cl)s1,STTDRKKUKYFVMO-UHFFFAOYSA-N,2,1,0.512,75,496,448.939,4.893,5,0.368,0.64,1.0,0.6751422109519567,0.7521417312041669,0.5380028784867384,0.5521040367349737,0.6293477143444589
EOS-2-02666,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4ccsc4)n23)n1,BOWHVTMAZIPSNP-UHFFFAOYSA-N,2,1,0.512,44,531,448.939,4.893,5,0.368,0.79,1.0,0.7019652525529436,0.7387173600164485,0.4619714207388116,0.5221369337262696,0.6061977417586184
EOS-2-02667,OCc1ncc(-c2cccc(-c3nnc4cncc(CNc5ccc(Cl)cc5)n34)c2)s1,CHEZRGBTBRNZQO-UHFFFAOYSA-N,2,1,0.337,14,358,448.939,4.673,5,0.392,0.74,1.0,0.19939517510794325,0.1573829758070043,0.5747292851757932,0.6022119799876636,0.3834298540196011
EOS-2-02668,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cs1,QQNRNOYNNSENBJ-UHFFFAOYSA-N,2,1,0.545,11,684,448.939,4.893,5,0.368,0.82,1.0,0.7267065314234802,0.7649749845795353,0.5346018093345213,0.5456788431224727,0.6429905421150024
EOS-2-02669,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)cs1,MYGNZAOLKAFKHB-UHFFFAOYSA-N,2,1,0.646,84,73,448.939,4.893,5,0.368,0.77,1.0,0.7207610856007127,0.764983551504352,0.5840929340004112,0.5963436364882462,0.6665453018984305
EOS-2-02670,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)s1,IDVKBUSQGSRGBW-UHFFFAOYSA-N,2,1,0.561,15,655,448.939,4.893,5,0.344,0.71,1.0,0.747883969570283,0.7777911041052704,0.555008224247824,0.542680419436639,0.655840929340004
EOS-2-02671,Cc1cc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)sn1,LKCNDJWTFAUZBD-UHFFFAOYSA-N,2,1,0.53,15,655,448.939,4.893,5,0.344,0.66,1.0,0.5961551641422795,0.6914193681036255,0.46922760605852926,0.5291275443766705,0.5714824206702762
EOS-2-02672,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)c2)s1,HJEZWDYFERPJSE-UHFFFAOYSA-N,2,1,0.536,11,655,448.939,4.893,5,0.344,0.68,1.0,0.7769601123980536,0.7907100267288054,0.5179648413405524,0.5255722705777535,0.6528018127612912
EOS-2-02673,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cs1,OPLKQKWYLORMEX-UHFFFAOYSA-N,2,1,0.544,11,684,448.939,4.893,5,0.368,0.8,1.0,0.7083476115413612,0.7777996710300871,0.47943938043999723,0.502270235076417,0.6169642245219656
EOS-2-02674,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cs1,JUIJWFNHDRXPAZ-UHFFFAOYSA-N,2,1,0.505,11,848,448.939,4.893,5,0.344,0.85,1.0,0.726715098348297,0.7649921184291687,0.4406569117949421,0.4589901309026112,0.5978385648687548
EOS-2-02675,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)s1,XQFSTYVCYFRHFR-UHFFFAOYSA-N,2,1,0.552,35,655,448.939,4.893,5,0.368,0.72,1.0,0.7711517373723529,0.7735761770954698,0.5481632513193064,0.5588890411897746,0.6629450517442259
EOS-2-02676,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)s1,RIXCVPHHBDFEAC-UHFFFAOYSA-N,2,1,0.654,84,73,448.939,4.893,5,0.368,0.74,1.0,0.7019738194777603,0.8628435336851484,0.5142296621204853,0.5426889863614557,0.6554340004112125
EOS-2-02677,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc2)s1,BWFCQGGXQSRYLA-UHFFFAOYSA-N,2,1,0.688,91,660,448.939,4.893,5,0.368,0.77,1.0,0.8894010006168186,0.9340860804605579,0.48286615036666436,0.5327342197244876,0.7097718627921321
EOS-2-02678,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)s1,VROUARPZGNLTRH-UHFFFAOYSA-N,2,1,0.731,11,73,448.939,4.893,5,0.368,0.78,1.0,0.6871187718456583,0.7387259269412652,0.5243900349530533,0.5521126036597903,0.6255868343499418
EOS-2-02679,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)nn1,LEBABXWUBAOVAH-UHFFFAOYSA-N,2,1,0.547,72,889,448.939,4.893,5,0.368,0.73,1.0,0.9076742512507711,0.920516071550956,0.507247618394901,0.5190271400178192,0.7136162703036117
EOS-2-02680,Cc1csc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,CELQPUDGKWDVML-UHFFFAOYSA-N,2,1,0.548,11,684,448.939,4.893,5,0.344,0.71,1.0,0.7478925364950997,0.8301435816599273,0.5035467068741005,0.4956137344938661,0.6442991398807485
EOS-2-02681,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cs1,WRJCVZKCPOXGJM-UHFFFAOYSA-N,2,1,0.548,11,684,448.939,4.893,5,0.344,0.84,1.0,0.7594407511479679,0.8301521485847441,0.5515043519978069,0.5456874100472894,0.6716961654444521
EOS-2-02682,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)c2)cs1,RVHHUHGILBXSIM-UHFFFAOYSA-N,2,1,0.545,11,684,448.939,4.893,5,0.368,0.82,1.0,0.6960969090535262,0.7521502981289836,0.5647145500651086,0.5717222945651429,0.6461710129531902
EOS-2-02683,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)c1,YLVXBQSLMBXLGR-UHFFFAOYSA-N,2,1,0.5,75,496,448.939,4.893,5,0.368,0.65,1.0,0.7910955383455555,0.7735847440202864,0.5447364813926393,0.5556250428346241,0.6662604516482764
EOS-2-02684,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)ccc1Cl,JKDRHOPLWACBNS-UHFFFAOYSA-N,2,1,0.553,75,583,448.939,4.893,5,0.368,0.71,1.0,0.7565108628606675,0.7340312521417311,0.5210232335001028,0.5221455006510863,0.633427712288397
EOS-2-02685,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cn2)cs1,JNNZOSQWLNZHII-UHFFFAOYSA-N,2,1,0.635,11,56,448.939,4.893,5,0.368,0.83,1.0,0.7594493180727846,0.8997669796449866,0.5035552737989172,0.5291361113014872,0.672976920704544
EOS-2-02686,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)cs1,VZMJTAIYLGGKSF-UHFFFAOYSA-N,2,1,0.74,11,583,448.939,4.893,5,0.368,0.82,1.0,0.7236909738880132,0.7565879651840175,0.5106058529230347,0.5426975532862723,0.6333955863203344
EOS-2-02687,CCc1csc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,GNWWENFRMFWAMF-UHFFFAOYSA-N,2,1,0.578,97,214,448.939,5.105,5,0.359,0.74,1.0,0.7356675347817148,0.8504300596257968,0.48978822561853197,0.512430607908985,0.6470791069837571
EOS-2-02688,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)cc2Cl)n1,MVUMSDLJRMJNTD-UHFFFAOYSA-N,2,1,0.612,87,796,448.939,4.893,5,0.368,0.68,1.0,0.9013004591871702,0.9205246384757727,0.5279453087519704,0.5488486053046399,0.7246547529298882
EOS-2-02689,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)cs1,ZPIQARFEBOQVDH-UHFFFAOYSA-N,2,1,0.566,11,684,448.939,4.893,5,0.344,0.77,1.0,0.8929562744157358,0.9223408265369063,0.5714995545199095,0.5556336097594408,0.735607566307998
EOS-2-02690,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cn2)cs1,OYLRGRQOHOHHQN-UHFFFAOYSA-N,2,1,0.684,11,56,448.939,4.893,5,0.368,0.84,0.999,0.8333133438420944,0.9186142142416558,0.5210318004249195,0.5357926118840382,0.7021879925981769
EOS-2-02691,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)n1,PQLNPHQENKTUIG-UHFFFAOYSA-N,2,1,0.511,58,819,448.939,4.893,5,0.368,0.73,1.0,0.7967411417997395,0.7822030703858543,0.46197998766362824,0.465055513672812,0.6264949283805085
EOS-2-02692,COc1cc(-c2nnc3cncc(OCc4sccc4-c4ccccc4)n23)ccc1Cl,NYTFTIGFUKDCKV-UHFFFAOYSA-N,2,1,0.529,1,347,448.935,5.761,5,0.33,0.81,1.0,0.9013090261119868,0.9020800493454869,0.8392330888904119,0.8212682475498595,0.8659726029744363
EOS-2-02693,CCn1ccnc1-c1c(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cnn1C,FIQFNLFTWHVROD-UHFFFAOYSA-N,2,1,0.628,26,460,448.918,3.683,5,0.377,0.69,1.0,0.3127869919813584,0.24469707353848263,0.1571773696114043,0.22013570008909603,0.2336992838050853
EOS-2-02694,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)nn1C,FGVFHWUEESMLGZ-UHFFFAOYSA-N,2,1,0.556,95,864,448.918,3.683,5,0.377,0.59,1.0,0.302275375231307,0.23954835172366526,0.2531183606332671,0.2940682612569392,0.27225258721129464
EOS-2-02695,CC(C)n1cncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n(C)n1,ZTJDPSGLMBZEQC-UHFFFAOYSA-N,2,1,0.517,36,404,448.918,4.202,5,0.387,0.71,1.0,0.5333510383112878,0.6962939483243095,0.4551692824343774,0.3800630525666507,0.5162193304091564
EOS-2-02696,CCn1cnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)n(C)n4)n23)c1C,LHYQEMAITHJWJE-UHFFFAOYSA-N,2,1,0.415,95,965,448.918,3.949,5,0.391,0.73,0.999,0.24607634843396614,0.4071688026865876,0.17659858817079022,0.2027105750119937,0.2581385785758344
EOS-2-02697,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)n(C)n3)n12,KNXGZLUQNSWGOP-UHFFFAOYSA-N,2,1,0.529,95,835,448.918,3.509,5,0.395,0.74,1.0,0.367598176958399,0.46973305462271264,0.20325029127544378,0.24370331025974917,0.32107120827907615
EOS-2-02698,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccn(C)c4Cl)n23)ccn1,SPSJZOQKJSXTER-UHFFFAOYSA-N,2,1,0.537,65,329,448.918,3.509,5,0.395,0.58,1.0,0.492598176958399,0.4786255225824138,0.3747344253306833,0.32513193064217666,0.4177725138784182
EOS-2-02699,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)c2)nn1C,KCQRKIBKYHYICG-UHFFFAOYSA-N,2,1,0.506,15,460,448.918,3.509,5,0.395,0.62,1.0,0.4852563223905147,0.5751404975669934,0.19284147762319237,0.19143650195325887,0.3611686998834898
EOS-2-02700,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4cncn4C)ccc3Cl)n12,HOYOYVKKFUNOIL-UHFFFAOYSA-N,2,1,0.534,26,460,448.918,3.509,5,0.395,0.65,1.0,0.36524227263381537,0.5422263724213556,0.32242478240010963,0.3067644438352409,0.38416446782263036
EOS-2-02701,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,LKPKFJCYQRHNNO-UHFFFAOYSA-N,2,1,0.364,93,68,448.917,5.964,6,0.333,0.78,1.0,0.018324652182852442,0.2545918717017339,0.8776386128435337,0.9197279144678226,0.5175707627989857
EOS-2-02702,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)c1,FMNDGOGIVBYMBW-UHFFFAOYSA-N,2,1,0.355,93,68,448.917,5.964,6,0.333,0.82,1.0,0.03525289562058803,0.2447056404632993,0.8789750531149338,0.922966212048523,0.520474950311836
EOS-2-02703,Clc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccccc6)c5)n34)cc2)n[nH]1,ZOLJIXRKKJEALG-UHFFFAOYSA-N,2,1,0.37,21,810,448.917,6.169,6,0.35,0.71,1.0,0.28607532040298816,0.3975995476663697,0.8853317113289014,0.9229747789733397,0.6229953395928998
EOS-2-02704,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1,SRZXSDIXPQXFEP-UHFFFAOYSA-N,2,1,0.373,21,538,448.917,6.169,6,0.35,0.79,1.0,0.26721095195668565,0.46528682064286203,0.9156157905558221,0.942233225961209,0.6475866972791446
EOS-2-02705,CSc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)n1,AMIFXCLGWQBYAF-UHFFFAOYSA-N,2,1,0.395,96,46,448.914,5.43,5,0.27,0.81,1.0,0.3837810979370845,0.7014769378383935,0.8252004660407101,0.866904256048249,0.6943406894661093
EOS-2-02706,Cn1cc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)c2)nn1,YQTRSIDKYDODDI-UHFFFAOYSA-N,2,1,0.5,36,134,448.899,3.752,5,0.403,0.62,1.0,0.467736961140429,0.6765557535467068,0.6154221780549654,0.6233722842848332,0.5957717942567335
EOS-2-02707,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1-c1ccc(C#N)nc1,MDPBMCFNYKIFPL-UHFFFAOYSA-N,2,1,0.435,95,694,448.899,3.752,5,0.403,0.59,1.0,0.3676067438832157,0.44787882941539303,0.46198855458844496,0.477357617709547,0.4387079363991502
EOS-2-02708,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)c2)c1,ABHQGKHODPNWSE-UHFFFAOYSA-N,2,1,0.563,91,70,448.889,4.606,5,0.379,0.77,1.0,0.8383506956342951,0.8438249605921458,0.847020423548763,0.845135700089096,0.843582944966075
EOS-2-02709,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)c1,MNWZAIXTZRGRRB-UHFFFAOYSA-N,2,1,0.495,43,521,448.889,5.046,5,0.363,0.71,1.0,0.6414399287231856,0.6620776506065382,0.8640086354602152,0.8570265917346309,0.7561382016311425
EOS-2-02710,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c1,YVQGKCHTGHRULM-UHFFFAOYSA-N,2,1,0.634,43,11,448.889,5.046,5,0.363,0.75,1.0,0.7882941539305051,0.7291652388458639,0.8764478102940169,0.8621753135494483,0.8140206291549585
EOS-2-02711,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1,GKXXOUAFSKYPKN-UHFFFAOYSA-N,2,1,0.615,91,876,448.889,4.606,5,0.379,0.73,1.0,0.9467222945651429,0.9205332054005894,0.8216623260914262,0.8212768144746762,0.8775486601329587
EOS-2-02712,COc1cc(-c2c(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c(C)nn2C)ccc1F,VCRLCNXWRXFZCF-UHFFFAOYSA-N,2,1,0.385,96,46,448.889,4.968,5,0.388,0.73,1.0,0.2515934480159002,0.5331025974916044,0.755594201905284,0.767510794325269,0.5769502604345145
EOS-2-02713,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c(F)c1,MGBNTMMLNRPJQI-UHFFFAOYSA-N,2,1,0.692,88,876,448.889,4.606,5,0.379,0.77,1.0,0.9045044890686039,0.8976252484408197,0.7982489205674731,0.8153570694263587,0.8539339318758138
EOS-2-02714,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1,SOAGUQOZYZHWED-UHFFFAOYSA-N,2,1,0.615,91,876,448.889,4.606,5,0.379,0.72,1.0,0.947544719347543,0.922349393461723,0.8216708930162429,0.8192550202179426,0.8777050065108628
EOS-2-02715,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,LQYVHNLHCDGZJE-UHFFFAOYSA-N,2,1,0.789,91,781,448.889,4.606,5,0.379,0.75,1.0,0.9585703515865944,0.9068689603180042,0.8392416558152286,0.8250805290932767,0.8824403742032759
EOS-2-02716,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)c1,MVDKMQJGIIZHIP-UHFFFAOYSA-N,2,1,0.571,91,803,448.889,4.606,5,0.379,0.76,1.0,0.8180385168939758,0.8335018161880612,0.8271708587485436,0.8312058803371941,0.8274792680419436
EOS-2-02717,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnn(C)c5)c4)n23)ccc1Cl,MWNXQQJNYSITIL-UHFFFAOYSA-N,2,1,0.595,43,623,448.889,4.872,5,0.383,0.65,1.0,0.7143358919882119,0.8438335275169625,0.9222294565142897,0.9042217805496539,0.8461551641422795
EOS-2-02718,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,YUZYZTZSTSNYHF-UHFFFAOYSA-N,2,1,0.789,91,781,448.889,4.606,5,0.379,0.75,1.0,0.9578507299019944,0.9068775272428209,0.8392502227400452,0.8250890960180933,0.8822668939757384
EOS-2-02719,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1,VERPKFQFUYGRIZ-UHFFFAOYSA-N,2,1,0.688,43,96,448.889,5.046,5,0.363,0.78,1.0,0.935396819957508,0.8597937084504146,0.8839952710575012,0.8669128229730656,0.8865246556096225
EOS-2-02720,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)c1,VNPPQVQWPGLREB-UHFFFAOYSA-N,2,1,0.633,91,876,448.889,4.606,5,0.379,0.67,1.0,0.7447827427866494,0.7291738057706806,0.7982574874922898,0.8022239736824069,0.7686095024330066
EOS-2-02721,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)c1,HNXFXYANNAAWHN-UHFFFAOYSA-N,2,1,0.495,43,521,448.889,5.046,5,0.363,0.72,1.0,0.6658899321499554,0.6717325748749229,0.8640172023850319,0.860453361661298,0.765523267767802
EOS-2-02722,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)c1,FIBBOUPQHBZVRZ-UHFFFAOYSA-N,2,1,0.495,43,521,448.889,5.046,5,0.363,0.74,1.0,0.6720067164690563,0.662086217531355,0.8640257693098485,0.8570351586594476,0.7637884654924268
EOS-2-02723,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cc2)cn1,RDENYCMKOIFSJL-UHFFFAOYSA-N,2,1,0.561,43,322,448.889,5.046,5,0.363,0.73,1.0,0.6242632444657665,0.7155523953121787,0.8654907134534987,0.8588684805702145,0.7660437084504146
EOS-2-02724,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)cn1,HUINUNLJXZGUHF-UHFFFAOYSA-N,2,1,0.585,91,803,448.889,4.606,5,0.379,0.77,1.0,0.6325902953875677,0.7692927146871359,0.855039065177164,0.8570437255842642,0.7784914502090329
EOS-2-02725,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cn1,NCVBJDUXPPCHJX-UHFFFAOYSA-N,2,1,0.76,91,781,448.889,4.606,5,0.379,0.77,1.0,0.7299105613049139,0.7693012816119525,0.8853402782537181,0.8733465835103831,0.8144746761702419
EOS-2-02726,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1F,YYFUYGRXSDYVOA-UHFFFAOYSA-N,2,1,0.688,91,70,448.889,4.606,5,0.379,0.76,1.0,0.9308734836543074,0.8847748612158179,0.8626379274895484,0.865327941881982,0.8859035535604138
EOS-2-02727,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cc2)cn1,WRQMVFVAMKUYDE-UHFFFAOYSA-N,2,1,0.543,43,322,448.889,5.046,5,0.363,0.75,1.0,0.5988623123843465,0.7014855047632101,0.8505671304228634,0.8467976835035296,0.7494281577684874
EOS-2-02728,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)cn1,SBUNDUYRSPNOKI-UHFFFAOYSA-N,2,1,0.778,91,781,448.889,4.606,5,0.379,0.81,1.0,0.8929648413405524,0.9088821876499212,0.8922537865807689,0.8773816050990336,0.892870605167569
EOS-2-02729,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)c1,BJTWBILACBJTER-UHFFFAOYSA-N,2,1,0.583,91,876,448.889,4.606,5,0.379,0.73,1.0,0.7939140566102392,0.7907185936536221,0.8061904598725241,0.8108423000479748,0.8004163525460901
EOS-2-02730,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1,CJCNKNFMWWGJKN-UHFFFAOYSA-N,2,1,0.602,91,803,448.889,4.606,5,0.379,0.76,1.0,0.9320814200534576,0.9020886162703036,0.8522291138372969,0.8521520115139469,0.8846377904187512
EOS-2-02731,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,UCDMHKHNMIZCCZ-UHFFFAOYSA-N,2,1,0.634,43,11,448.889,5.046,5,0.363,0.74,1.0,0.7939226235350558,0.7291823726954972,0.8764563772188335,0.862183880474265,0.8154363134809129
EOS-2-02732,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,VEJDGKLPHPPTFL-UHFFFAOYSA-N,2,1,0.747,91,781,448.889,4.606,5,0.379,0.77,1.0,0.9624597354533616,0.9020971831951203,0.8817079021314509,0.8685576725378658,0.9037056233294497
EOS-2-02733,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(F)c1,XFVAMPUTXRQDJC-UHFFFAOYSA-N,2,1,0.675,91,70,448.889,4.606,5,0.379,0.75,1.0,0.9217839764238229,0.9168922623535056,0.862646494414365,0.8637430607908985,0.891266448495648
EOS-2-02734,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1,RDBXYAQKKNORBJ-UHFFFAOYSA-N,2,1,0.585,91,70,448.889,4.606,5,0.379,0.75,1.0,0.9330923171818244,0.9169008292783223,0.8684034678911657,0.8669213898978823,0.8963295010622987
EOS-2-02735,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,DJNIOFPGGPGDPU-UHFFFAOYSA-N,2,1,0.747,91,781,448.889,4.606,5,0.379,0.81,1.0,0.9617572476183949,0.902105750119937,0.8817164690562675,0.8685662394626825,0.9035364265643205
EOS-2-02736,Clc1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)c(Cl)c1,JVJYOJSBMWQEMQ-UHFFFAOYSA-N,2,1,0.63,23,708,451.111,4.835,4,0.445,0.77,1.0,0.7508481255568501,0.9325697347680076,0.8853488451785347,0.9328267425125077,0.8753983620039751
EOS-2-02737,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)cn1,XVAYDYLTFOLOOY-UHFFFAOYSA-N,2,1,0.778,91,781,448.889,4.606,5,0.379,0.79,1.0,0.894858131725036,0.9088907545747379,0.8922623535055856,0.8773901720238503,0.8933503529573025
EOS-2-02738,Cn1ncc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1-c1ccc(Cl)cc1,BIIACWDTRIHZIZ-UHFFFAOYSA-N,2,1,0.684,91,660,448.889,4.606,5,0.379,0.73,1.0,0.6751507778767734,0.7907271605784387,0.7576416969364677,0.8192635871427593,0.7606958056336097
EOS-2-02739,Cn1ncc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)c1-c1ccccc1,QEKTWMQEEHHIBJ-UHFFFAOYSA-N,2,1,0.576,91,70,448.889,4.606,5,0.379,0.71,1.0,0.647462476869303,0.7062658488109108,0.7337999451716811,0.7979576451237064,0.7213714789939003
EOS-2-02740,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4Cl)n23)cc1,JQBJHLWMRLJKCX-UHFFFAOYSA-N,2,1,0.612,91,70,448.889,4.606,5,0.379,0.77,1.0,0.9341546158590912,0.8953892810636694,0.8724556233294497,0.8653365088067987,0.8918340072647523
EOS-2-02741,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1ccccc1,BVBIYERUUFDYFB-UHFFFAOYSA-N,2,1,0.692,19,570,448.889,4.606,5,0.379,0.79,1.0,0.672015283393873,0.5905009937632787,0.7487235282023165,0.7934771434445891,0.7011792372010144
EOS-2-02742,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)n[nH]1,SHCKZTGGJYOKMZ-UHFFFAOYSA-N,2,1,0.718,91,781,448.889,4.904,5,0.399,0.7,1.0,0.9685336851483791,0.9557689671715441,0.8724641902542664,0.8604619285861147,0.9143071927900761
EOS-2-02743,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cc2)n1,JLZACKQDPSZACJ-UHFFFAOYSA-N,2,1,0.633,91,660,448.889,4.606,5,0.379,0.74,1.0,0.8654393119045988,0.9205417723254061,0.8470289904735796,0.8430710712082791,0.8690202864779658
EOS-2-02744,Cc1ccccc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4F)n(C)n3)n12,UBCSDGWQENPYAO-UHFFFAOYSA-N,2,1,0.483,19,266,448.889,4.872,5,0.383,0.78,1.0,0.47793160167226373,0.609348228359948,0.802301076005757,0.817310328284559,0.6767228085806319
EOS-2-02745,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cc2)n1,AMRTYNIAJZFXRG-UHFFFAOYSA-N,2,1,0.61,91,803,448.889,4.606,5,0.379,0.71,1.0,0.8819220752518676,0.9223579603865396,0.8271794256733603,0.827110890274827,0.8646425878966486
EOS-2-02746,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2F)cn1,LJGRMGYQTDAPKM-UHFFFAOYSA-N,2,1,0.75,91,222,448.889,4.606,5,0.379,0.78,1.0,0.8838582002604345,0.9242084161469399,0.8803457610856007,0.8773987389486669,0.8914527791104105
EOS-2-02747,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)n1,YIVWJVKLAFPHCW-UHFFFAOYSA-N,2,1,0.58,91,70,448.889,4.606,5,0.379,0.79,1.0,0.7053063532314441,0.8598022753752314,0.8359605236104448,0.8392330888904119,0.8100755602768831
EOS-2-02748,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)n1,NHGBPCSTHDGHTO-UHFFFAOYSA-N,2,1,0.74,91,781,448.889,4.606,5,0.379,0.79,1.0,0.8260057569734768,0.8565896785689808,0.8522376807621136,0.8412034815982455,0.8440091494757042
EOS-2-02749,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c(F)c2)n1,YZXKRJNUAXTQBC-UHFFFAOYSA-N,2,1,0.662,91,660,448.889,4.606,5,0.379,0.77,1.0,0.8180470838187924,0.892922006716469,0.8291498183811938,0.8372284284833116,0.8443368343499418
EOS-2-02750,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)n1,OFBVBXVFJACGMM-UHFFFAOYSA-N,2,1,0.598,91,742,448.889,4.606,5,0.379,0.75,1.0,0.7236995408128298,0.8565982454937976,0.8406894661092454,0.8332705092180112,0.813564440408471
EOS-2-02751,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c(F)c2)n1,FKXQMIKHEPQIMO-UHFFFAOYSA-N,2,1,0.671,91,660,448.889,4.606,5,0.379,0.79,1.0,0.8234014118292098,0.9044873552189706,0.8291583853060106,0.8372369954081283,0.8485710369405798
EOS-2-02752,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1F,LKQVHYIAKCUCFV-UHFFFAOYSA-N,2,1,0.688,88,70,448.889,4.606,5,0.379,0.78,1.0,0.8761822356247002,0.8769532588582003,0.8626550613391817,0.870305325200466,0.871523970255637
EOS-2-02753,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c1,VVFCIQTUPHZWCC-UHFFFAOYSA-N,2,1,0.731,91,781,448.889,4.606,5,0.379,0.76,1.0,0.887584812555685,0.7650006853539854,0.8738177643752998,0.8637516277157151,0.8475387225001713
EOS-2-02754,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1,HDPVEJABAHQVAO-UHFFFAOYSA-N,2,1,0.565,91,803,448.889,4.606,5,0.379,0.72,1.0,0.7826571174011376,0.7778082379549037,0.8406980330340621,0.8468062504283462,0.8119924097046125
EOS-2-02755,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)c1,BTUXTPYEQWMNGR-UHFFFAOYSA-N,2,1,0.557,91,70,448.889,4.606,5,0.379,0.7,1.0,0.7939311904598725,0.7907357275032554,0.8596994722774313,0.8588770474950311,0.8258108594338975
EOS-2-02756,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)cc2)cn1,PWVRKGHNBFPMHN-UHFFFAOYSA-N,2,1,0.634,91,322,448.889,4.606,5,0.379,0.76,1.0,0.815271400178192,0.8976338153656364,0.8840038379823179,0.8717959701185662,0.8671762559111782
EOS-2-02757,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cc2)cn1,CXCMYMABIOAPTA-UHFFFAOYSA-N,2,1,0.649,91,322,448.889,4.606,5,0.379,0.77,1.0,0.807792474813241,0.8900949215269687,0.8803543280104174,0.8746573230073333,0.86322476183949
EOS-2-02758,Cc1ccc(-c2nnc3cncc(OCc4c(-c5ccc(Cl)cc5)ncn4C)n23)c(F)c1,LOASRLQQFJVORO-UHFFFAOYSA-N,2,1,0.512,34,372,448.889,4.872,5,0.383,0.66,1.0,0.7565194297854843,0.8438420944417792,0.767279487355219,0.7934857103694058,0.7902816804879721
EOS-2-02759,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cc2)cn1,UXSBBPLJIZMLOJ-UHFFFAOYSA-N,2,1,0.649,91,322,448.889,4.606,5,0.379,0.79,1.0,0.8102083476115414,0.8929305736412857,0.8817250359810842,0.8718045370433829,0.8641671235693236
EOS-2-02760,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cc2)cn1,UTQSIIYTYXEMPB-UHFFFAOYSA-N,2,1,0.653,91,322,448.889,4.606,5,0.379,0.71,1.0,0.7594578849976013,0.8740062367212665,0.8738263313001166,0.8669299568226989,0.8435551024604209
EOS-2-02761,CCn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)n1,CQCKPTMCKCWSOV-UHFFFAOYSA-N,2,1,0.707,43,96,448.889,5.046,5,0.363,0.78,1.0,0.7796843944897539,0.8184668631348091,0.8423685833733123,0.8271194571996436,0.8169098245493798
EOS-2-02762,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3c(-c4cccc(F)c4)ncn3C)n12,RPYJOCWTBXDGJW-UHFFFAOYSA-N,2,1,0.473,34,521,448.889,4.872,5,0.383,0.8,0.998,0.6443269823864026,0.7907442944280721,0.7413131382358988,0.777105750119937,0.7383725412925776
EOS-2-02763,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)n1,FZIBJFKHTYRJBJ-UHFFFAOYSA-N,2,1,0.757,91,781,448.889,4.606,5,0.379,0.77,1.0,0.9232489205674731,0.9308734836543074,0.8612072510451648,0.8468148173531629,0.8905361181550271
EOS-2-02764,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c1,ZYGDQAQLBHAIBI-UHFFFAOYSA-N,2,1,0.495,43,521,448.889,5.046,5,0.363,0.72,1.0,0.6900486601329586,0.6620947844561716,0.8671269960934823,0.855347474470564,0.7686544787882941
EOS-2-02765,Cn1nc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1-c1ccccc1Cl,UEIJSQXRKYHIAE-UHFFFAOYSA-N,2,1,0.63,19,266,448.889,4.606,5,0.379,0.73,1.0,0.5176478651223357,0.57514906449181,0.7310585292303474,0.8043400041121239,0.6570488657391542
EOS-2-02766,Cn1nc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1-c1ccc(Cl)cc1,NRHDPXMGEUEQNA-UHFFFAOYSA-N,2,1,0.622,19,266,448.889,4.606,5,0.379,0.78,1.0,0.6386385443081352,0.7014940716880269,0.7533496676033171,0.8131639366732918,0.7266615550681927
EOS-2-02767,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cc2)n1,OQYFUBLYICFNCH-UHFFFAOYSA-N,2,1,0.593,91,273,448.889,4.606,5,0.379,0.71,1.0,0.8543708450414639,0.9325783016928243,0.8470375573983963,0.8412120485230622,0.8687996881639366
EOS-2-02768,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cc2)n1,PZFVICBSDWVPOV-UHFFFAOYSA-N,2,1,0.633,91,660,448.889,4.606,5,0.379,0.71,1.0,0.867675279281749,0.9223665273113563,0.8470461243232129,0.8392416558152286,0.8690823966828867
EOS-2-02769,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1-c1ccccc1,MLIKNHWNIXWUGB-UHFFFAOYSA-N,2,1,0.523,19,266,448.889,4.606,5,0.379,0.8,0.999,0.5932938112535124,0.6044822150640806,0.7258155712425468,0.7909584675484888,0.6786375162771572
EOS-2-02770,CCn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)c1,VKBTZXZXMZEINN-UHFFFAOYSA-N,2,1,0.642,43,11,448.889,5.046,5,0.363,0.8,1.0,0.802506682201357,0.7291909396203139,0.872472757179083,0.8521605784387636,0.8140827393598794
EOS-2-02771,Cn1nc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1-c1ccccc1,IRBYTTYKXCTBQF-UHFFFAOYSA-N,2,1,0.529,19,266,448.889,4.606,5,0.379,0.81,0.999,0.5561990267973408,0.5905095606880953,0.6974847508738263,0.770063737920636,0.6535642690699747
EOS-2-02772,Cn1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1ccc(F)cc1,WQFPWQNXQWEDOR-UHFFFAOYSA-N,2,1,0.622,19,266,448.889,4.606,5,0.379,0.8,1.0,0.6325988623123844,0.6717411417997395,0.7511222671509835,0.8173188952093756,0.7181952916181208
EOS-2-02773,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)n1,RWCQYRDFHZXCBE-UHFFFAOYSA-N,2,1,0.757,91,781,448.889,4.606,5,0.379,0.76,1.0,0.9245682269892399,0.9308820505791241,0.8612158179699815,0.8468233842779795,0.8908723699540813
EOS-2-02774,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)c1,KBUJLTLSEQPYTH-UHFFFAOYSA-N,2,1,0.483,43,521,448.889,5.046,5,0.363,0.76,1.0,0.6534421903913371,0.6571259680625042,0.8488451785347132,0.8468319512027962,0.7515613220478377
EOS-2-02775,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)cc1,UGLKAMPGJQIUAV-UHFFFAOYSA-N,2,1,0.63,91,660,448.889,4.606,5,0.379,0.68,1.0,0.8721129463367829,0.8847834281406346,0.8597080392022479,0.8485881707902131,0.8662981461174696
EOS-2-02776,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)cc2)n1,QJXKUWGQWQDTLU-UHFFFAOYSA-N,2,1,0.619,91,660,448.889,4.606,5,0.379,0.72,1.0,0.8721215132615996,0.9242169830717566,0.8505756973476801,0.8392502227400452,0.8715411041052704
EOS-2-02777,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1,NCZHXLGDNQWKMA-UHFFFAOYSA-N,2,1,0.623,91,803,448.889,4.606,5,0.379,0.71,1.0,0.8654478788294154,0.8821105475978342,0.8375625385511617,0.837245562332945,0.855591631827839
EOS-2-02778,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cc2)c1,RPKYPKRGTPMRCF-UHFFFAOYSA-N,2,1,0.593,91,70,448.889,4.606,5,0.379,0.7,1.0,0.933100884106641,0.9370845041463917,0.8565811116441642,0.8521691453635802,0.8947339113151943
EOS-2-02779,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)c1,SQBSIBNYVGOJQE-UHFFFAOYSA-N,2,1,0.757,91,781,448.889,4.606,5,0.379,0.71,1.0,0.9624683023781784,0.9308906175039408,0.8711363169076828,0.8553560413953807,0.9049628195462955
EOS-2-02780,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cc2)n1,JALVGJXIKVGXRN-UHFFFAOYSA-N,2,1,0.636,91,781,448.889,4.606,5,0.379,0.71,1.0,0.7939397573846891,0.9044959221437873,0.8392587896648619,0.8332790761428278,0.8427433863340416
EOS-2-02781,Cc1c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccc(F)cc2)nn1C,VLUQCOHLQFQMML-UHFFFAOYSA-N,2,1,0.64,43,372,448.889,4.872,5,0.383,0.75,1.0,0.7143444589130286,0.8740148036460832,0.6729405112740731,0.7392827770543485,0.7501456377218834
EOS-2-02782,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cc2)n1,GJLRHPVCLTWCHJ-UHFFFAOYSA-N,2,1,0.593,91,273,448.889,4.606,5,0.379,0.75,1.0,0.8522462476869302,0.9308991844287574,0.8455297786306627,0.8430796381330957,0.8679387122198615
EOS-2-02783,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1-c1ccccc1,ZZBSIEUQTAHQRF-UHFFFAOYSA-N,2,1,0.692,19,570,448.889,4.606,5,0.379,0.8,1.0,0.6689054896854225,0.5905181276129121,0.7487320951271331,0.7934942772942225,0.7004124974299226
EOS-2-02784,CC(C)n1nnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)n1,PTGLEMUBUNDVRU-UHFFFAOYSA-N,2,1,0.413,92,986,448.878,3.048,5,0.36,0.67,0.994,0.320120279624426,0.48264341032143104,0.050270714824206704,0.05633609759440751,0.22734262559111781
EOS-2-02785,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ncn1,NBMVGZPCOOKGJD-UHFFFAOYSA-N,2,1,0.349,31,602,448.878,2.53,5,0.369,0.64,0.726,0.365250839558632,0.2496230553080666,0.0697776026317593,0.08368172160921115,0.19208330477691726
EOS-2-02786,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nn2)cn1,WFIIVCQLWLOSRO-UHFFFAOYSA-N,2,1,0.38,53,44,448.878,2.53,5,0.369,0.69,0.997,0.31010554451374134,0.27516105818655334,0.05591631827839079,0.0728102940168597,0.17849830374888628
EOS-2-02787,CCn1cnnc1-c1cnnc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,ZUQUFRULZSADDX-UHFFFAOYSA-N,2,1,0.409,53,466,448.878,2.53,5,0.345,0.64,1.0,0.40120622301418685,0.35001884723459664,0.08552361044479474,0.12361215817969981,0.2400902097183195
EOS-2-02788,CCn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cn1,CSZFCMDFCVIOPJ-UHFFFAOYSA-N,2,1,0.446,20,279,448.878,2.53,5,0.369,0.61,1.0,0.3560585292303475,0.4255020217942567,0.043417174970872455,0.06729319443492564,0.2230677301076006
EOS-2-02789,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)n1C,ROLMDYDBHMBAQM-UHFFFAOYSA-N,2,1,0.457,20,279,448.878,2.355,5,0.385,0.64,0.998,0.39906449181001985,0.43004249194709065,0.028921938181070524,0.04187512850387225,0.2249760126105133
EOS-2-02790,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2)nn1,ORZLIAFIAKMEGZ-UHFFFAOYSA-N,2,1,0.412,53,44,448.878,2.53,5,0.369,0.63,0.383,0.2488862997738332,0.20892159550407785,0.05962579672400795,0.0989479816325132,0.15409541840860805
EOS-2-02791,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)ncn1,XKGWLMRPINAGPU-UHFFFAOYSA-N,2,1,0.349,31,296,448.878,2.53,5,0.369,0.63,0.602,0.39696559522993624,0.25460043862655063,0.05407442944280721,0.06903228017270921,0.1936681858680008
EOS-2-02792,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)nn2C)cn1,TYHMLFBNRHCDAH-UHFFFAOYSA-N,2,1,0.384,31,569,448.878,2.355,5,0.385,0.57,0.99,0.3446902199986293,0.269986635597286,0.03772016996778836,0.048334589815639775,0.17518290384483584
EOS-2-02793,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ncn2)n1C,FRJWPEJISNINIX-UHFFFAOYSA-N,2,1,0.359,31,602,448.878,2.355,5,0.385,0.59,0.981,0.4419248166678089,0.32588582002604344,0.05778390788842437,0.06092796929614146,0.22163062846960455
EOS-2-02794,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cn1,DRZIUDDILWWBBY-UHFFFAOYSA-N,2,1,0.436,20,279,448.878,2.53,5,0.369,0.66,1.0,0.4490696319649099,0.4565742581043109,0.043425741895689124,0.06390069220752519,0.25324258104310876
EOS-2-02795,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ncn2)cn1,SHMIQHWANGILTO-UHFFFAOYSA-N,2,1,0.365,31,602,448.878,2.53,5,0.369,0.71,0.999,0.2672195188815023,0.20409841683229388,0.06978616955657597,0.08193406894661093,0.1557595435542458
EOS-2-02796,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)nc1,XDAPCNJSVLALMD-UHFFFAOYSA-N,2,1,0.38,31,779,448.878,2.53,5,0.369,0.67,1.0,0.4120690836817216,0.38818449729285176,0.04509629223493935,0.06556267562195874,0.2277281372078679
EOS-2-02797,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,IIWWFGLOTTVFCA-UHFFFAOYSA-N,2,1,0.434,92,908,448.878,2.53,5,0.369,0.63,1.0,0.3768675896100336,0.37408333904461655,0.05779247481324104,0.08369028853402782,0.22310842300047973
EOS-2-02798,OCCn1cc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cn1,MHVFWDKRNGLSDQ-UHFFFAOYSA-N,2,1,0.43,51,388,448.874,2.67,5,0.404,0.61,1.0,0.39492666712356933,0.31623089575765884,0.27864779658693717,0.2940768281817559,0.3209705469124803
EOS-2-02799,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)ccc1-c1cnn(C)c1,CFJMJEYAWOAORS-UHFFFAOYSA-N,2,1,0.471,16,375,448.874,3.223,5,0.364,0.7,1.0,0.590261119868412,0.5517870605167569,0.5279538756767871,0.38304434240285107,0.5132615996162018
EOS-2-02800,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nc[nH]n1,LUDNENASDAGUKX-UHFFFAOYSA-N,2,1,0.516,15,604,448.874,3.255,5,0.377,0.61,1.0,0.7826656843259544,0.6864762524844082,0.44066547871975875,0.367212665341649,0.5692550202179426
EOS-2-02801,Cc1noc(C)c1CCOc1cncc2nnc(-c3ccc(-c4cnc(Cl)nc4)nc3)n12,MLAYXMVBIYPTSE-UHFFFAOYSA-N,2,1,0.533,65,434,448.874,3.523,5,0.359,0.68,1.0,0.5176564320471524,0.6814817353162909,0.13285587005688437,0.12984887944623397,0.3654607292166404
EOS-2-02802,COc1cc(-c2nnc3cncc(OCc4ccc(-n5nncc5C)cn4)n23)ccc1Cl,VUEIXTCUXVHKCX-UHFFFAOYSA-N,2,1,0.528,4,67,448.874,3.316,5,0.389,0.67,0.999,0.31279555890617505,0.5101261051333014,0.40787985744637106,0.34451031457747927,0.3938279590158317
EOS-2-02803,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nc(C)no1,VTYPBLJDHKLZQR-UHFFFAOYSA-N,2,1,0.417,46,690,448.874,3.735,5,0.382,0.62,0.988,0.4419333835926256,0.4347628675210746,0.12176170241929957,0.13643684463025152,0.28372369954081283
EOS-2-02804,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nccn1C,GFTUBZQPRVTGDR-UHFFFAOYSA-N,2,1,0.479,36,224,448.874,3.223,5,0.39,0.68,1.0,0.4900538002878487,0.45658282502912756,0.3370142553628949,0.26155678157768486,0.38630191556438903
EOS-2-02805,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1nccn1C,LMKHUCYHXQOYOP-UHFFFAOYSA-N,2,1,0.394,49,551,448.874,3.223,5,0.364,0.7,1.0,0.5257007744500034,0.4167037900075389,0.27074052498115275,0.21474710437941197,0.35697304845452676
EOS-2-02806,Cn1nc(-c2ccc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)nc2)nc1Cl,FURDCWQONJBEFR-UHFFFAOYSA-N,2,1,0.548,89,677,448.874,2.707,5,0.421,0.67,1.0,0.567644438352409,0.6141885408813652,0.3113134809128915,0.2851586594476047,0.4445762798985676
EOS-2-02807,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cn(C)cn1,FFZHJMSMHAHALC-UHFFFAOYSA-N,2,1,0.4,49,565,448.874,3.223,5,0.364,0.62,1.0,0.517664998971969,0.4652953875676787,0.35212631073949696,0.26762216434788566,0.4006772154067576
EOS-2-02808,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ccn(C)n1,MSZXBTRORCTFRI-UHFFFAOYSA-N,2,1,0.442,16,248,448.874,3.223,5,0.39,0.71,1.0,0.4653981906654787,0.48744088821876497,0.3970341306284696,0.3003049825234734,0.41254454800904666
EOS-2-02809,OCc1cc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)n[nH]1,ABBCBBAAWQRLHY-UHFFFAOYSA-N,2,1,0.432,20,846,448.874,2.739,5,0.389,0.58,0.998,0.5284935919402372,0.5701631142485094,0.34839969844424645,0.3606161332328148,0.451918134466452
EOS-2-02810,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc2C)no1,UJBRVSSUJIBXLG-UHFFFAOYSA-N,2,1,0.447,31,578,448.874,3.523,5,0.359,0.66,1.0,0.5488657391542732,0.5285792611884038,0.13916969364676857,0.14348742375436913,0.34002552943595366
EOS-2-02811,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cnnn1C,MBOXVJZICXJMKD-UHFFFAOYSA-N,2,1,0.506,16,940,448.874,3.223,5,0.364,0.68,1.0,0.48526488931533135,0.4347714344458913,0.4930522239736824,0.4018230416009869,0.453727897333973
EOS-2-02812,COc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1nccn1C,RZKOZXOBXGHKRH-UHFFFAOYSA-N,2,1,0.43,16,375,448.874,3.223,5,0.364,0.67,1.0,0.6017065314234802,0.510134672058118,0.2968096771982729,0.2258584058666301,0.40862732163662535
EOS-2-02813,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nccn1C,XAKQHUQIMPNRDJ-UHFFFAOYSA-N,2,1,0.457,51,196,448.874,3.223,5,0.39,0.72,1.0,0.6414484956480022,0.4826519772462477,0.2968182441230896,0.22586697279144677,0.41169642245219656
EOS-2-02814,COc1cc(-c2nnc3cncc(OCc4cccnc4Cl)n23)ccc1-c1cnnn1C,QPYDEVNFOQAPQL-UHFFFAOYSA-N,2,1,0.473,16,638,448.874,3.223,5,0.364,0.65,1.0,0.5333596052361045,0.4565913919539442,0.4619971215132616,0.38972654375985194,0.4604186656157906
EOS-2-02815,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1nncn1C,ZHXRKCVLIGLRHO-UHFFFAOYSA-N,2,1,0.472,36,375,448.874,3.223,5,0.364,0.66,1.0,0.5257093413748201,0.49186998834898227,0.4332465218285244,0.36062470015763143,0.45286263792748954
EOS-2-02816,CCc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)no1,GBTKVHXVRONVJW-UHFFFAOYSA-N,2,1,0.489,65,131,448.874,3.469,5,0.345,0.61,1.0,0.4654067575902954,0.533111164416421,0.1420310465355356,0.16672092385717224,0.3268174730998561
EOS-2-02817,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cnnn1C,NKAJWPGPOYDETG-UHFFFAOYSA-N,2,1,0.478,16,940,448.874,3.223,5,0.364,0.62,1.0,0.4701185662394627,0.48266054417106435,0.5000085669248167,0.41462202727708863,0.46685242615310807
EOS-2-02818,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)cn4)n23)ccc1Cl,DCSAJGKOUZCSSN-UHFFFAOYSA-N,2,1,0.473,92,399,448.874,3.223,5,0.39,0.72,1.0,0.4926067438832157,0.6421681173326023,0.4897967925433486,0.38973511068466865,0.5035766911109588
EOS-2-02819,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)cn1,YFUYLFPKBFNDCW-UHFFFAOYSA-N,2,1,0.421,55,468,448.874,2.67,5,0.378,0.67,1.0,0.39266499897196905,0.35968233842779795,0.39704269755328625,0.3830529093276677,0.38311073607018026
EOS-2-02820,OCCn1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,SFQOGLLKAZJVGM-UHFFFAOYSA-N,2,1,0.381,92,711,448.874,2.67,5,0.404,0.71,1.0,0.317772942224659,0.19493180727845932,0.3896066068124186,0.3897436776094853,0.3230137584812556
EOS-2-02821,CCN=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)o1,OSGFSYNKNHRFBJ-UHFFFAOYSA-N,2,1,0.429,43,55,448.874,3.322,5,0.395,0.4,0.999,0.45826194229319445,0.40717736961140427,0.2931430333767391,0.2615653485025015,0.35503692344595983
EOS-2-02822,COc1cc(-c2nnc3cncc(OCc4nc(-c5cccnc5)nn4C)n23)ccc1Cl,MPAYHSNAPOHDBP-UHFFFAOYSA-N,2,1,0.494,16,67,448.874,3.223,5,0.39,0.75,1.0,0.5646888492906587,0.6864848194092249,0.20690836817216093,0.21475567130422862,0.41820942704406827
EOS-2-02823,CCc1nc(-c2nnc3cncc(-c4ccc(Cl)nc4)n23)oc1-c1cnc(C)nc1OC,LASVMQANZOCRHG-UHFFFAOYSA-N,2,1,0.281,82,974,448.874,3.831,5,0.369,0.65,0.876,0.3513981221300802,0.4025512302104037,0.06765300527722569,0.0655712425467754,0.22179340004112125
EOS-2-02824,OCCn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)n1,FFOWWOOHZFCTSC-UHFFFAOYSA-N,2,1,0.457,16,55,448.874,2.67,5,0.378,0.63,1.0,0.39907305873483656,0.3927506682201357,0.282391542731821,0.30997704064149134,0.3460480775820711
EOS-2-02825,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ccnn1C,OWMDYAKYLSSRPZ-UHFFFAOYSA-N,2,1,0.447,16,248,448.874,3.223,5,0.39,0.72,1.0,0.4441950517442259,0.4255105887190734,0.4109810842300048,0.31609382496059213,0.399195137413474
EOS-2-02826,OCCn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)cn1,DZSLUHUBGQRHIC-UHFFFAOYSA-N,2,1,0.441,75,329,448.874,2.67,5,0.378,0.6,1.0,0.35140668905489686,0.2699952025221027,0.4078884243711877,0.392562195874169,0.35546312795558904
EOS-2-02827,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cn[nH]c1,LTFWHBFZNXCNIN-UHFFFAOYSA-N,2,1,0.444,20,279,448.874,3.255,5,0.403,0.58,1.0,0.7237081077376465,0.6717497087245562,0.4184086080460558,0.3737320951271332,0.5468996299088479
EOS-2-02828,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccnn1C,DWYRNCCESDRARK-UHFFFAOYSA-N,2,1,0.443,51,196,448.874,3.223,5,0.39,0.66,1.0,0.5358097457336715,0.434780001370708,0.35952813378109794,0.27625762456308683,0.40159387636214106
EOS-2-02829,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cnn(C)c1,HGHIQLMQMWBKQT-UHFFFAOYSA-N,2,1,0.448,51,196,448.874,3.223,5,0.39,0.69,1.0,0.5617932287026249,0.5331197313412378,0.41460489342745527,0.31893804399972586,0.45711397436776097
EOS-2-02830,COc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)n(C)n2)cn1,MDBQGIOLJRESLJ-UHFFFAOYSA-N,2,1,0.419,46,62,448.874,3.223,5,0.39,0.68,0.999,0.3351980673017614,0.3009389349599068,0.3595367007059146,0.2971352203413063,0.32320223082722227
EOS-2-02831,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nc[nH]n1,QFIDSLXNUPGPDI-UHFFFAOYSA-N,2,1,0.511,15,729,448.874,3.255,5,0.377,0.61,1.0,0.8180556507436091,0.6864933863340416,0.45517784935919403,0.38306147625248443,0.5856970906723322
EOS-2-02832,COCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)nn1,MGJMPKDFCOJOPE-UHFFFAOYSA-N,2,1,0.511,4,22,448.874,3.281,5,0.373,0.67,1.0,0.3860770337879515,0.4167123569323556,0.36695565759714893,0.36722123226646564,0.3842415701459804
EOS-2-02833,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cncn1C,DOUUNOGUAGPKLC-UHFFFAOYSA-N,2,1,0.458,36,224,448.874,3.223,5,0.39,0.69,1.0,0.507710232335001,0.4610633267082448,0.4332550887533411,0.33807655404016174,0.43502630045918717
EOS-2-02834,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccnn1C,IRNJYRKDCVJMEL-UHFFFAOYSA-N,2,1,0.463,72,224,448.874,3.223,5,0.39,0.65,1.0,0.4802275375231307,0.45659995887876087,0.40429031594818726,0.31292406277842505,0.413510468782126
EOS-2-02835,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5cnn(C)c5)n4)n23)ccc1Cl,MZFWBRDANXSQLZ-UHFFFAOYSA-N,2,1,0.5,92,67,448.874,3.223,5,0.39,0.7,1.0,0.497498457953533,0.6621033513809883,0.4007093413748201,0.32514049756699337,0.4713629120690837
EOS-2-02836,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cc[nH]n1,RRDGWWMJUBFDHY-UHFFFAOYSA-N,2,1,0.427,49,501,448.874,3.255,5,0.377,0.5,0.999,0.662805839215955,0.5857377835652114,0.30416866561579053,0.2615739154273182,0.45357155095606877
EOS-2-02837,COc1cc(Cl)ccc1-c1nnc2cncc(OCc3cc(-c4cccnn4)nn3C)n12,CEWODDKYWRYFTF-UHFFFAOYSA-N,2,1,0.432,36,226,448.874,3.223,5,0.39,0.64,0.997,0.44420361866904257,0.6233037488862998,0.32243334932492634,0.29408539510657256,0.4210065279967103
EOS-2-02838,Cn1nc(-c2ccc(=O)n(C)n2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,GCPHWRLXDTWNJH-UHFFFAOYSA-N,2,1,0.536,36,32,448.874,2.518,5,0.406,0.67,0.926,0.5513587142759235,0.765009252278802,0.20325885820026043,0.24371187718456583,0.440834675484888
EOS-2-02839,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cnnn1C,CBFLEQMDXSCNBG-UHFFFAOYSA-N,2,1,0.5,16,638,448.874,3.223,5,0.39,0.65,1.0,0.5202265094921527,0.4697416215475293,0.48648995956411484,0.4146305942019053,0.4727721712014255
EOS-2-02840,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1O,IHZFKLGWUIMSTE-UHFFFAOYSA-N,2,1,0.484,15,561,448.874,2.962,5,0.394,0.56,0.999,0.604704955109314,0.5563532314440408,0.25312692755808375,0.2615824823521349,0.4189418991158933
EOS-2-02841,OCCn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)nn1,RKERUYULYVWKQH-UHFFFAOYSA-N,2,1,0.528,4,32,448.874,2.67,5,0.404,0.7,1.0,0.42842334315674047,0.5517956274415736,0.3003221163731067,0.3606332670824481,0.4102935885134672
EOS-2-02842,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccn(C)n1,RLNGVNFOSGPDCV-UHFFFAOYSA-N,2,1,0.404,49,62,448.874,3.223,5,0.39,0.66,1.0,0.4537386059899938,0.3787437461448838,0.322441916249743,0.25561990267973406,0.3526360427660887
EOS-2-02843,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nc[nH]n1,LXSYEFNOZMNOGA-UHFFFAOYSA-N,2,1,0.505,47,604,448.874,3.255,5,0.403,0.56,1.0,0.7654890000685354,0.662111918305805,0.43694743334932495,0.3830700431773011,0.5619045987252416
EOS-2-02844,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nncn1C,BVZRTKITQHENQD-UHFFFAOYSA-N,2,1,0.489,16,375,448.874,3.223,5,0.39,0.69,1.0,0.5705143581659927,0.4740850524295799,0.422246590363923,0.36064183400726474,0.45687195874169007
EOS-2-02845,Cn1nc(-c2cncc(Cl)n2)cc1COc1cncc2nnc(-c3ccc(CO)cc3)n12,JHYIDUZETNKOGN-UHFFFAOYSA-N,2,1,0.5,89,731,448.874,2.706,5,0.421,0.65,1.0,0.5333681721609211,0.5148721814817353,0.37474299225549995,0.3572236310054143,0.44505174422589266
EOS-2-02846,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccn(C)n1,NKUMKHOROVQOSS-UHFFFAOYSA-N,2,1,0.458,72,224,448.874,3.223,5,0.39,0.65,1.0,0.5026129120690837,0.5240130902611199,0.3896151737372353,0.30031354944829003,0.4291386813789322
EOS-2-02847,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cnnn1C,IFDUHRIOOQROOV-UHFFFAOYSA-N,2,1,0.517,4,638,448.874,3.223,5,0.39,0.63,1.0,0.3990816256596532,0.47863408950723046,0.4406740456445754,0.3702624905763827,0.4221630628469605
EOS-2-02848,CCc1nc(-c2ccc(C)c(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c2)no1,HZJOMEMARWTJBM-UHFFFAOYSA-N,2,1,0.441,7,94,448.874,3.735,5,0.382,0.68,1.0,0.5202350764169693,0.5656654787197588,0.1242803783153999,0.13217908299636763,0.3355900041121239
EOS-2-02849,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cn(C)nn5)cn4)n23)ccc1Cl,NFGVEFPLNKLCAA-UHFFFAOYSA-N,2,1,0.534,4,67,448.874,3.223,5,0.39,0.72,1.0,0.4213556301829895,0.6141971078061819,0.47568706737029676,0.3955948872592694,0.4767086731546844
EOS-2-02850,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1c[nH]nn1,YZYCDKRSCUMMAF-UHFFFAOYSA-N,2,1,0.516,15,669,448.874,3.255,5,0.377,0.56,1.0,0.7356761017065314,0.6865019532588582,0.5072561853197176,0.4368017956274416,0.5915590089781373
EOS-2-02851,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1nncn1C,UNAJZXZIIVCBAD-UHFFFAOYSA-N,2,1,0.5,16,375,448.874,3.223,5,0.364,0.71,1.0,0.5705229250908094,0.4433040915632924,0.4259389349599068,0.34766294291001304,0.4468572236310054
EOS-2-02852,COc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nn2C)cn1,SUMYPAHYLFNFFF-UHFFFAOYSA-N,2,1,0.404,95,694,448.874,3.223,5,0.364,0.71,1.0,0.3423428825988623,0.33040915632924406,0.3859228291412515,0.3067730107600576,0.3413619697073539
EOS-2-02853,COc1cncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nn2C)c1,LMYGWVHMRYUFJL-UHFFFAOYSA-N,2,1,0.381,95,694,448.874,3.223,5,0.364,0.71,1.0,0.3791206908368172,0.3547734905078473,0.42935713796175723,0.36396580083613184,0.3818042800356384
EOS-2-02854,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cnn(C)c1,JXZBEXXAEIEALQ-UHFFFAOYSA-N,2,1,0.468,36,224,448.874,3.223,5,0.39,0.67,1.0,0.4779401685970804,0.5285878281132205,0.46200568843807827,0.3606504009320814,0.45729602152011517
EOS-2-02855,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nccn1C,AIUWIMSCBISCFV-UHFFFAOYSA-N,2,1,0.448,7,248,448.874,3.223,5,0.39,0.72,1.0,0.5307552600918375,0.482669111095881,0.34065519840997877,0.26448666986498526,0.40464155986567063
EOS-2-02856,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cnnn1C,GMIVCIBMSGAVTK-UHFFFAOYSA-N,2,1,0.479,4,940,448.874,3.223,5,0.364,0.69,1.0,0.394935234048386,0.44331265848810913,0.4078969912960044,0.34123774929751216,0.39684565828250296
EOS-2-02857,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)n5)c4)n23)ccc1Cl,FYXXBMUCRHQNOH-UHFFFAOYSA-N,2,1,0.489,16,67,448.874,3.223,5,0.39,0.7,1.0,0.6186433417860325,0.6717582756493728,0.5243986018778699,0.43053080666164073,0.561332756493729
EOS-2-02858,COc1cc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)ccc1Cl,BEYQJZJHOFHPBK-UHFFFAOYSA-N,2,1,0.547,43,402,448.874,3.223,5,0.39,0.77,1.0,0.659584675484888,0.7521588650538003,0.42594750188472347,0.4080940305667877,0.5614462682475498
EOS-2-02859,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cncn1C,AZKDDDAJCCZUPS-UHFFFAOYSA-N,2,1,0.442,7,248,448.874,3.223,5,0.39,0.73,1.0,0.5813515180590775,0.47409361935439653,0.4369560002741416,0.3380851209649784,0.4576215646631485
EOS-2-02860,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ccn(C)n1,UYEQQLBHHLGHFR-UHFFFAOYSA-N,2,1,0.389,49,565,448.874,3.223,5,0.364,0.69,1.0,0.4213641971078062,0.40255979713522033,0.33370742238366113,0.25562846960455077,0.3533149715578096
EOS-2-02861,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccno1,PKLIDZCNNIPCQT-UHFFFAOYSA-N,2,1,0.575,35,103,448.87,4.125,5,0.366,0.65,1.0,0.7769686793228703,0.6717668425741896,0.5872626961825783,0.5124391748338016,0.63710934822836
EOS-2-02862,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccon1,JIJYHUGGRYBNSO-UHFFFAOYSA-N,2,1,0.573,11,777,448.87,4.125,5,0.366,0.67,1.0,0.8543794119662805,0.7108919882119115,0.5647231169899253,0.4924782400109657,0.6556181892947707
EOS-2-02863,COCc1coc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)c1,YOGPXTKMBVWKNS-UHFFFAOYSA-N,2,1,0.447,46,181,448.87,4.22,5,0.365,0.54,1.0,0.39909019258446987,0.35478205743266394,0.6509235144952368,0.5963522034130628,0.5002869919813584
EOS-2-02864,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cocn1,NMVXDPGTPKBJCA-UHFFFAOYSA-N,2,1,0.534,11,777,448.87,4.125,5,0.343,0.65,1.0,0.8894095675416352,0.7387344938660818,0.629848879446234,0.5358011788088548,0.6984485299157015
EOS-2-02865,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cocn1,SJEMBHBIYRWXER-UHFFFAOYSA-N,2,1,0.521,35,777,448.87,4.125,5,0.366,0.68,1.0,0.8782639983551505,0.7340398190665479,0.6242289767664999,0.5488571722294565,0.6963474916044137
EOS-2-02866,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cocn1,GGHRLHVRZDARGB-UHFFFAOYSA-N,2,1,0.556,11,777,448.87,4.125,5,0.366,0.65,1.0,0.8698598451099994,0.7291995065451305,0.57473785210061,0.5088239325611679,0.6706552840792269
EOS-2-02867,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncco1,NNECGUILPHWHEN-UHFFFAOYSA-N,2,1,0.534,11,729,448.87,4.125,5,0.343,0.64,1.0,0.8563241038996642,0.6717754094990063,0.5904495922143788,0.4894027140017819,0.6519879549037078
EOS-2-02868,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccon1,KKVGQLFIXZICPZ-UHFFFAOYSA-N,2,1,0.534,11,777,448.87,4.125,5,0.343,0.72,1.0,0.8357806181892947,0.7062744157357275,0.6242375436913166,0.5358097457336715,0.6755255808375027
EOS-2-02869,COc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccccc5Cl)on4)n23)c1,LOQOKOOOBGOUMI-UHFFFAOYSA-N,2,1,0.484,11,275,448.87,4.125,5,0.366,0.71,0.937,0.48272051264478105,0.41672092385717224,0.47944794736481394,0.47736618463436364,0.46406389212528276
EOS-2-02870,CCOc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,VLNNPUAWTFVEQY-UHFFFAOYSA-N,2,1,0.483,97,91,448.87,4.472,5,0.336,0.64,1.0,0.7826742512507711,0.7292080734699472,0.6729490781988897,0.5748492221232266,0.6899201562607087
EOS-2-02871,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)ccc1-c1cccnc1,SYAPIEUDSHHWIB-UHFFFAOYSA-N,2,1,0.453,49,501,448.87,4.125,5,0.366,0.63,0.999,0.7019823864025769,0.5422349393461723,0.4514683709135769,0.3987732163662532,0.5236147282571448
EOS-2-02872,COc1ccc(-c2noc(C)c2COc2cncc3nnc(-c4cccc(Cl)c4)n23)cn1,JHTKXQUPDHFCEM-UHFFFAOYSA-N,2,1,0.511,97,214,448.87,4.391,5,0.377,0.76,1.0,0.5384569255020218,0.657134534987321,0.4406826125693921,0.3956034541840861,0.5079693818107053
EOS-2-02873,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cocn1,VWWKRHCWVKXIMA-UHFFFAOYSA-N,2,1,0.534,11,729,448.87,4.125,5,0.343,0.7,1.0,0.8782725652799671,0.7292166403947639,0.6422366527311356,0.5488657391542732,0.6996478993900349
EOS-2-02874,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncco1,LOTMVCJWRQCOML-UHFFFAOYSA-N,2,1,0.521,35,777,448.87,4.125,5,0.366,0.67,1.0,0.8587057089986978,0.6717839764238229,0.5747464190254267,0.4894112809265986,0.6486618463436364
EOS-2-02875,CCOc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3OC)n12,USKBFDMJDNVJAJ-UHFFFAOYSA-N,2,1,0.382,96,697,448.87,4.569,5,0.372,0.71,0.999,0.5461842916866562,0.6190888218764992,0.6509320814200534,0.5588976081145912,0.59377570077445
EOS-2-02876,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cnco1,CKSKLFAHRSIUAJ-UHFFFAOYSA-N,2,1,0.538,35,103,448.87,4.125,5,0.366,0.7,1.0,0.8285244328695771,0.6865105201836749,0.6509406483448701,0.5717308614899596,0.6844266157220203
EOS-2-02877,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc2)o1,JMTYNZPTPIUVNO-UHFFFAOYSA-N,2,1,0.671,91,660,448.87,4.125,5,0.366,0.76,1.0,0.9354053868823248,0.897642382290453,0.4756956342951134,0.4429442807209924,0.6879219210472209
EOS-2-02878,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cocn1,KXENHABLPZLENF-UHFFFAOYSA-N,2,1,0.533,11,777,448.87,4.125,5,0.343,0.65,1.0,0.8587142759235145,0.7387430607908985,0.5380114454115551,0.46506408059762866,0.6501332156808991
EOS-2-02879,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cocn1,AIEDUKVLXUBYED-UHFFFAOYSA-N,2,1,0.573,11,777,448.87,4.125,5,0.366,0.62,1.0,0.8995956411486533,0.7433092317181824,0.5715081214447262,0.49248680693578234,0.6767249503118361
EOS-2-02880,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnco1,XYSYYBZXLQXYFY-UHFFFAOYSA-N,2,1,0.553,35,103,448.87,4.125,5,0.343,0.67,1.0,0.8405780960866287,0.6717925433486396,0.6536135288876704,0.5556421766842574,0.680406586251799
EOS-2-02881,Cc1cc(C(F)F)cnc1-c1nnc2cncc(-c3cncc(-c4cccc(Cl)c4)c3)n12,JJMMXEVMCSSWLA-UHFFFAOYSA-N,2,1,0.314,96,315,448.864,5.815,5,0.347,0.79,0.892,0.27263381536563636,0.4390634637790419,0.9447176341580427,0.9549294085395107,0.6528360804605579
EOS-2-02882,Cc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cc2F)c(C)n1,BREHPNNPAZIJFB-UHFFFAOYSA-N,2,1,0.359,45,102,448.864,5.464,5,0.366,0.72,1.0,0.4373672126653417,0.6668665615790556,0.9088564868754712,0.9131570831334385,0.7315618360633267
EOS-2-02883,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)c2)cc1F,LDECPXQEHLWYJI-UHFFFAOYSA-N,2,1,0.667,57,853,448.86,5.969,5,0.332,0.79,1.0,0.9605064765951614,0.9772633815365637,0.984348228359948,0.990019532588582,0.9780344047700638
EOS-2-02884,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1,SYGRQHHFLYGSDV-UHFFFAOYSA-N,2,1,0.597,57,23,448.86,5.969,5,0.332,0.83,1.0,0.9882547460763484,0.9870039750531149,0.9837742443972312,0.9894198478514152,0.9871132033445275
EOS-2-02885,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)cc1F,VBMKLTOHSXBGLD-UHFFFAOYSA-N,2,1,0.718,57,853,448.86,5.969,5,0.332,0.79,1.0,0.9919556575971489,0.9915101775066822,0.9855904324583648,0.9906192173257488,0.9899188712219862
EOS-2-02886,Fc1ccccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,GIVRYVUQDAUUPV-UHFFFAOYSA-N,2,1,0.739,57,461,448.86,5.969,5,0.332,0.84,1.0,0.9934634363648824,0.9958536083887328,0.9837828113220478,0.9900280995133987,0.9907819888972654
EOS-2-02887,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2)ccc1Cl,CHWPJBMXNXFULW-UHFFFAOYSA-N,2,1,0.538,83,163,448.86,6.491,5,0.315,0.83,1.0,0.939371873072442,0.9630251524912617,0.9863957233911316,0.9896254540470153,0.9696045507504627
EOS-2-02888,Fc1cc(Cl)cc(-c2cccc(COc3cncc4nnc(-c5cccc(F)c5)n34)c2)c1,XTPDCILVSUYVGO-UHFFFAOYSA-N,2,1,0.597,57,962,448.86,5.969,5,0.332,0.81,1.0,0.9206445754232061,0.9645586320334453,0.980501679117264,0.9877664313617983,0.9633678294839285
EOS-2-02889,Fc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)cc3)n12,BTXNKGUNAUXRDS-UHFFFAOYSA-N,2,1,0.671,83,23,448.86,5.969,5,0.332,0.84,1.0,0.9924525392365157,0.9899595641148653,0.9822750325543143,0.9891714070317319,0.9884646357343567
EOS-2-02890,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c1F,PWCDFJJNYXQQRT-UHFFFAOYSA-N,2,1,0.681,83,23,448.86,5.969,5,0.332,0.84,1.0,0.9927866493043657,0.9917414844767323,0.9852391885408813,0.9902337057089987,0.9900002570077444
EOS-2-02891,Fc1ccc(COc2cccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1F,JXRHNUOGANMSJG-UHFFFAOYSA-N,2,1,0.568,83,533,448.86,5.969,5,0.332,0.84,1.0,0.912266122952505,0.9756356658213967,0.9867898019326983,0.9909618943184154,0.9664133712562538
EOS-2-02892,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1F,SGTORNYQNFOMHL-UHFFFAOYSA-N,2,1,0.903,83,23,448.86,5.969,5,0.332,0.85,1.0,0.9971300801864162,0.9951853882530327,0.9866441642108149,0.9909704612432322,0.9924825234733741
EOS-2-02893,Fc1ccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1,ZCIJEFWFVWMQCR-UHFFFAOYSA-N,2,1,0.706,83,23,448.86,5.969,5,0.332,0.8,1.0,0.9936776094852992,0.9959735453361661,0.985247755465698,0.9914416421081489,0.9915851380988281
EOS-2-02894,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5cccc(Cl)c5)c4)n23)c1,GUAGFZPGPVTZAF-UHFFFAOYSA-N,2,1,0.562,57,23,448.86,5.969,5,0.332,0.83,1.0,0.9547323692687273,0.967608457268179,0.982077993283531,0.989634020971832,0.9735132101980672
EOS-2-02895,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)cc(Cl)c5)cc4)n23)cc1,NWBWMJVNDMVQLI-UHFFFAOYSA-N,2,1,0.735,57,23,448.86,5.969,5,0.332,0.82,1.0,0.9899766979644986,0.9904735796038654,0.9837913782468645,0.9896425878966486,0.9884710609279693
EOS-2-02896,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)c1,UXUKMOZKDCUNLX-UHFFFAOYSA-N,2,1,0.61,57,23,448.86,5.969,5,0.332,0.76,1.0,0.9731341237749298,0.9751559180316633,0.9833458981563977,0.9900366664382153,0.9804181516003015
EOS-2-02897,Fc1cccc(F)c1-c1ccccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,MGGXHSKVYXSIKW-UHFFFAOYSA-N,2,1,0.681,57,461,448.86,5.969,5,0.332,0.83,1.0,0.9938146802823659,0.9962476869302995,0.9785312864094304,0.9862072510451648,0.9887002261668152
EOS-2-02898,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)cc1,XLERUCCEFCYUNI-UHFFFAOYSA-N,2,1,0.903,83,23,448.86,5.969,5,0.332,0.87,1.0,0.9971386471112329,0.9943886642450825,0.9864042903159482,0.9909790281680488,0.9922276574600781
EOS-2-02899,Fc1cccc(F)c1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,FDTORZZVPFVNKB-UHFFFAOYSA-N,2,1,0.613,57,23,448.86,5.969,5,0.332,0.81,1.0,0.9674970872455624,0.9756442327462134,0.9808100884106641,0.9883832499485985,0.9780836645877595
EOS-2-02900,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)c2)cc1F,FTVZWXXOQWGTMB-UHFFFAOYSA-N,2,1,0.685,57,853,448.86,5.969,5,0.332,0.84,1.0,0.9653981906654787,0.9777345624014804,0.9855989993831814,0.9906277842505654,0.9798398841751764
EOS-2-02901,Fc1ccc(F)c(-c2ccccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,RJDJJHBHRLDSIG-UHFFFAOYSA-N,2,1,0.653,57,461,448.86,5.969,5,0.332,0.78,1.0,0.9921012953190322,0.9963761908025495,0.9810842300047975,0.9883918168734152,0.9894883832499486
EOS-2-02902,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)c(F)c1,ZHRLYXUFFTZBMR-UHFFFAOYSA-N,2,1,0.618,57,23,448.86,5.969,5,0.332,0.8,1.0,0.9704526763073127,0.9767236652731136,0.9833544650812145,0.990045233363032,0.9801440100061681
EOS-2-02903,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c1,GYQROKLCJCVKKX-UHFFFAOYSA-N,2,1,0.676,83,23,448.86,5.969,5,0.332,0.78,1.0,0.9916044136796656,0.990482146528682,0.984733739976698,0.9906363511753821,0.9893641628401069
EOS-2-02904,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cc1,CUESAVLNBTYMBS-UHFFFAOYSA-N,2,1,0.809,57,23,448.86,5.969,5,0.332,0.86,1.0,0.9851535192927147,0.9831488588856144,0.9852563223905147,0.9904478788294154,0.9860016448495649
EOS-2-02905,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)cc1F,FFYBJZUIGSUJPD-UHFFFAOYSA-N,2,1,0.809,57,23,448.86,5.969,5,0.332,0.86,1.0,0.9848451099993146,0.9841597560139812,0.9856075663079981,0.9906449181001987,0.9863143376053731
EOS-2-02906,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)cc1,NIHCOHZMTWFHEH-UHFFFAOYSA-N,2,1,0.903,83,23,448.86,5.969,5,0.332,0.88,1.0,0.9968987732163662,0.9940117195531492,0.9864128572407649,0.9909875950928655,0.9920777362757864
EOS-2-02907,Fc1ccc(F)c(COc2cccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,HQEGDTSBGYEWEQ-UHFFFAOYSA-N,2,1,0.427,83,533,448.86,5.969,5,0.332,0.87,1.0,0.8308717702693441,0.9654410252895621,0.9852648893153314,0.9904564457542321,0.9430085326571175
EOS-2-02908,FC(F)c1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4Oc4ccccc4)n23)cc1,RQCJYMGCPQFKKK-UHFFFAOYSA-N,2,1,0.391,79,590,448.86,6.842,5,0.295,0.84,1.0,0.5618017956274416,0.7693098485367692,0.987440888218765,0.9897967925433486,0.8270873312315812
EOS-2-02909,Fc1ccc(-c2c(Cl)cccc2COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,LCEPXPWTMVYXCY-UHFFFAOYSA-N,2,1,0.71,83,23,448.86,5.969,5,0.332,0.78,1.0,0.990353642656432,0.9908762250702488,0.980296072921664,0.9889229662120486,0.9876122267150983
EOS-2-02910,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)c1F,JZMLCKNDCDCNMW-UHFFFAOYSA-N,2,1,0.623,57,23,448.86,5.969,5,0.332,0.81,1.0,0.9731426906997465,0.9786169556575971,0.9840483859913646,0.9898053594681653,0.9814033479542184
EOS-2-02911,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccc4F)n23)cc1,MLBKYEUIECPORI-UHFFFAOYSA-N,2,1,0.671,57,23,448.86,5.969,5,0.332,0.84,1.0,0.9744020286477966,0.9756527996710301,0.983106024261531,0.9902422726338154,0.9808507813035432
EOS-2-02912,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)c2)cc1F,OQHBNNARZLFWHQ-UHFFFAOYSA-N,2,1,0.59,57,853,448.86,5.969,5,0.332,0.76,1.0,0.9562915495853609,0.9761925159344802,0.9843567952847646,0.9904650126790487,0.9768264683709137
EOS-2-02913,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nn4)n23)nn1,ORIQPZSRZRSKAH-UHFFFAOYSA-N,2,1,0.438,54,691,448.849,3.718,5,0.4,0.77,0.999,0.6595932424097046,0.7292252073195805,0.5179734082653691,0.5685953670070591,0.6188468062504283
EOS-2-02914,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)n1,CTJDNCDCYHFIGG-UHFFFAOYSA-N,2,1,0.61,59,294,448.849,3.718,5,0.4,0.72,1.0,0.9045130559934206,0.9068860941676375,0.5968919196765129,0.5934994174491125,0.7504476218216709
EOS-2-02915,Fc1ccncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)nn1,HVYRSAGCPXBPFT-UHFFFAOYSA-N,2,1,0.467,54,411,448.849,3.452,5,0.389,0.62,0.975,0.7328233157425811,0.7433177986429991,0.47570420121993007,0.5619645671989583,0.6284524707011171
EOS-2-02916,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn1,XPYCBMMPWXSBNZ-UHFFFAOYSA-N,2,1,0.549,75,578,448.849,3.452,5,0.364,0.65,1.0,0.8308803371941608,0.8504386265506134,0.5612877801384415,0.5717394284147762,0.703586543074498
EOS-2-02917,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nn4)n23)nc1,SXXJKKUWFREFEW-UHFFFAOYSA-N,2,1,0.457,54,411,448.849,3.452,5,0.364,0.68,0.892,0.7565279967103009,0.8184754300596258,0.4654324583647454,0.5327427866493044,0.6432946679459941
EOS-2-02918,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4cncc(Cl)c4)nn3)n12,VDTXRQCQLKXVJV-UHFFFAOYSA-N,2,1,0.427,54,411,448.849,3.452,5,0.389,0.71,0.986,0.7112689329038449,0.7340483859913646,0.4146134603522719,0.5158659447604688,0.5939491810019876
EOS-2-02919,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cc1Cl,WJYFMAKIHUZDME-UHFFFAOYSA-N,2,1,0.462,54,411,448.849,3.452,5,0.389,0.67,0.997,0.7207696525255294,0.7292337742443973,0.48649852648893155,0.552121170584607,0.6221557809608663
EOS-2-02920,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nn4)n23)n1,CERHNYABUMBXPX-UHFFFAOYSA-N,2,1,0.436,54,954,448.849,3.452,5,0.364,0.68,0.99,0.7385974230690151,0.8031320677129737,0.43696456719895826,0.5022788020012336,0.6202432149955452
EOS-2-02921,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nc1Cl,CYAFWBCGRSBMHT-UHFFFAOYSA-N,2,1,0.457,54,411,448.849,3.452,5,0.364,0.65,0.848,0.7626790487286683,0.7778168048797204,0.4369731341237749,0.5022873689260503,0.6199390891645535
EOS-2-02922,Cc1cc(-c2nnc3cncc(OCc4ccnc(-c5ncc(F)cn5)n4)n23)ccc1Cl,VZQCELYWQBFNHX-UHFFFAOYSA-N,2,1,0.506,73,82,448.849,3.718,5,0.4,0.66,1.0,0.8234099787540264,0.9108782811322048,0.42936570488657394,0.4773747515591803,0.6602571790829964
EOS-2-02923,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nn2)cn1,SYTMTZAKSPYFDD-UHFFFAOYSA-N,2,1,0.457,54,411,448.849,3.452,5,0.364,0.64,0.892,0.7536837776711671,0.7864779658693716,0.4692361729833459,0.5327513535741211,0.6355373175245014
EOS-2-02924,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)ccn2)cc1Cl,LISYUOVZBNNBLH-UHFFFAOYSA-N,2,1,0.517,37,33,448.849,3.452,5,0.389,0.63,1.0,0.8563326708244808,0.8368000822424783,0.5778219450346104,0.6552583784524707,0.73155326913851
EOS-2-02925,Fc1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)ccc1-c1ccncn1,GGYXOLKRTYZNHF-UHFFFAOYSA-N,2,1,0.495,37,846,448.849,3.452,5,0.389,0.62,1.0,0.9091648961688712,0.9045044890686039,0.4757127681447468,0.5456959769721061,0.708769532588582
EOS-2-02926,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cn1,NMFQXVZKAFZXDE-UHFFFAOYSA-N,2,1,0.512,65,76,448.849,3.452,5,0.287,0.65,1.0,0.8819306421766843,0.9279435953670071,0.587271263107395,0.5748577890480433,0.7430008224247824
EOS-2-02927,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,MNRGPCBNLCZRII-UHFFFAOYSA-N,2,1,0.484,65,858,448.849,3.452,5,0.364,0.64,1.0,0.8357891851141115,0.8438506613665958,0.609425330683298,0.6176067438832157,0.7266679802618052
EOS-2-02928,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,FZXPBJSJKBXVFN-UHFFFAOYSA-N,2,1,0.412,18,157,448.849,3.452,5,0.364,0.72,1.0,0.6186519087108492,0.6814903022411075,0.46544102528956205,0.5291446782263038,0.5736819786169556
EOS-2-02929,Fc1ccc(-c2cnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cn1,SOHZMXHEJOZGEG-UHFFFAOYSA-N,2,1,0.441,58,954,448.849,3.452,5,0.364,0.7,0.997,0.6991467342882599,0.7650178192036187,0.45147693783839354,0.5057227057775341,0.6053410492769515
EOS-2-02930,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cn1,OODUNADWILHJPU-UHFFFAOYSA-N,2,1,0.394,18,157,448.849,3.452,5,0.364,0.72,1.0,0.6503409636077033,0.6865190871084915,0.4725173051881297,0.5327599204989377,0.5855343191008155
EOS-2-02931,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)ncn3)n12,CCFAQKCANJPFNW-UHFFFAOYSA-N,2,1,0.484,18,481,448.849,3.452,5,0.389,0.59,0.999,0.7083561784661778,0.6914279350284422,0.5937307244191625,0.6262165033239668,0.6549328353094374
EOS-2-02932,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(Cl)n5)n4)n23)c(F)n1,DZCHJXUYIYHJQN-UHFFFAOYSA-N,2,1,0.436,58,486,448.849,3.718,5,0.375,0.62,1.0,0.6781920361866904,0.7201442670139127,0.4332636556781578,0.45260777191419366,0.5710519326982386
EOS-2-02933,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)c1,SZBSZRNOPFTBFA-UHFFFAOYSA-N,2,1,0.463,75,132,448.849,3.452,5,0.389,0.66,1.0,0.7855013364402714,0.7907528613528888,0.47252587211294633,0.5388510040435885,0.6469077684874238
EOS-2-02934,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nn4)n23)c1,ZGQSMIULEJPROD-UHFFFAOYSA-N,2,1,0.453,54,411,448.849,3.452,5,0.364,0.65,0.923,0.7594664519224179,0.8184839969844425,0.46924473990816257,0.5457045438969228,0.6482249331779865
EOS-2-02935,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2)c1,ZVUYAHCMJOMTBC-UHFFFAOYSA-N,2,1,0.457,54,411,448.849,3.452,5,0.364,0.65,1.0,0.8543879788910973,0.8031406346377904,0.5346103762593379,0.5992735247755465,0.6978531286409431
EOS-2-02936,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cn1,UXNJZZMGMMCHDG-UHFFFAOYSA-N,2,1,0.524,65,981,448.849,3.452,5,0.364,0.63,1.0,0.8964601466657529,0.9384980467411418,0.5380200123363718,0.5488743060790898,0.7304631279555891
EOS-2-02937,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)c1,GEMMLQRZGQGZEZ-UHFFFAOYSA-N,2,1,0.527,65,434,448.849,3.452,5,0.364,0.66,1.0,0.9151703104653554,0.9440665478719759,0.577830511959427,0.5812230141868275,0.7545725961208964
EOS-2-02938,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2)nn1,LJGZCENHMMEFBM-UHFFFAOYSA-N,2,1,0.453,54,411,448.849,3.452,5,0.389,0.61,0.983,0.7508566924816668,0.7945565759714893,0.4654495922143787,0.5057312727023507,0.6291485333424714
EOS-2-02939,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)cn1,FEXGJMFOYADUIT-UHFFFAOYSA-N,2,1,0.518,4,716,448.849,3.718,5,0.4,0.64,1.0,0.8049996573230074,0.8368086491672949,0.6032400109656638,0.5935079843739292,0.7096390754574738
EOS-2-02940,Fc1nc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1-c1ccccn1,HGHKMIBTHHIADM-UHFFFAOYSA-N,2,1,0.478,18,773,448.849,3.452,5,0.287,0.6,1.0,0.8654564457542321,0.8146974162154753,0.41098965115482144,0.4463282160235762,0.6343679322870263
EOS-2-02941,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)n1,AJBZOEXKPOVEHR-UHFFFAOYSA-N,2,1,0.467,46,128,448.849,3.718,5,0.4,0.67,1.0,0.5435970803920225,0.5804177232540607,0.4898053594681653,0.5291532451511205,0.5357433520663423
EOS-2-02942,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cn1,RAHUJJBEMXEGSO-UHFFFAOYSA-N,2,1,0.463,87,279,448.849,3.452,5,0.364,0.68,1.0,0.8128469604550751,0.8929391405661024,0.47572133506956343,0.522154067575903,0.675915375916661
EOS-2-02943,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cnc1Cl,ROEGRBBSNBCYMQ-UHFFFAOYSA-N,2,1,0.533,65,324,448.849,3.452,5,0.364,0.62,1.0,0.8761908025495169,0.9279521622918238,0.5715166883695428,0.577933315057227,0.7383982420670276
EOS-2-02944,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)ccn1,BNFAOPBXBZSUEA-UHFFFAOYSA-N,2,1,0.457,54,411,448.849,3.452,5,0.364,0.67,1.0,0.8563412377492975,0.8070471523541909,0.5380285792611884,0.5992820917003633,0.7001747652662601
EOS-2-02945,Fc1ccc(CCOc2cncc3nnc(-c4cncc(Cl)c4)n23)nc1-c1cncnc1,QZSNPJHDEAOKJQ-UHFFFAOYSA-N,2,1,0.469,87,307,448.849,3.452,5,0.389,0.66,1.0,0.7796929614145707,0.7988143376053731,0.5142382290453019,0.5686039339318758,0.6653373654992804
EOS-2-02946,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)c1,XCKNOLXFFYSJMB-UHFFFAOYSA-N,2,1,0.505,87,304,448.849,3.452,5,0.364,0.63,1.0,0.854396545815914,0.9325868686176411,0.5244071688026866,0.5358183126584881,0.7118022239736825
EOS-2-02947,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cn2)cn1,JCPLEIVLEFDNAW-UHFFFAOYSA-N,2,1,0.5,65,76,448.849,3.452,5,0.287,0.69,1.0,0.9297597834281406,0.9279607292166404,0.5481718182441231,0.5521297375094236,0.7395055170995819
EOS-2-02948,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)nc1,TXSNYRBIVZRBCR-UHFFFAOYSA-N,2,1,0.5,75,420,448.849,3.452,5,0.364,0.68,1.0,0.8383592625591118,0.794565142896306,0.37869234459598383,0.4305393735864574,0.6105390309094647
EOS-2-02949,COc1ncc(-c2cnc(C)nn2)cc1-c1cncc2nnc(-c3cc(F)ccc3Cl)n12,HFKVEQCEAYCHMU-UHFFFAOYSA-N,2,1,0.321,22,844,448.849,3.815,5,0.408,0.74,1.0,0.4419419505174423,0.5194297854842026,0.5346189431841546,0.542706120211089,0.5096741998492221
EOS-2-02950,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)cn1,VAHAHXXPICDVRW-UHFFFAOYSA-N,2,1,0.424,51,379,448.849,3.718,5,0.375,0.68,1.0,0.810216914536358,0.7907614282777055,0.4865070934137482,0.47432492632444656,0.6404525906380646
EOS-2-02951,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncncn1,BRQPARSTVOLGTF-UHFFFAOYSA-N,2,1,0.588,37,626,448.849,3.452,5,0.364,0.69,1.0,0.9736481392639298,0.9604979096703448,0.6359142622164348,0.6437358645740525,0.8034490439311905
EOS-2-02952,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)nn4)n23)c1,JNEXYENAWOZXAV-UHFFFAOYSA-N,2,1,0.43,54,411,448.849,3.452,5,0.364,0.68,0.963,0.8308889041189774,0.777825371804537,0.4369817010485916,0.5221626345007196,0.6419646528682065
EOS-2-02953,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)cn1,IJLZYVKVAILOEP-UHFFFAOYSA-N,2,1,0.461,18,194,448.849,3.452,5,0.364,0.6,1.0,0.805008224247824,0.747704064149133,0.5778390788842437,0.5963607703378795,0.68172803440477
EOS-2-02954,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)cn1,BKDCMAKJPQTLEE-UHFFFAOYSA-N,2,1,0.512,65,76,448.849,3.452,5,0.287,0.69,1.0,0.8911229525049689,0.9451802480981427,0.5841015009252278,0.5652028647796586,0.7464018915769995
EOS-2-02955,Fc1ncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1Cl,XGJXMIQWKMVJGG-UHFFFAOYSA-N,2,1,0.533,65,324,448.849,3.452,5,0.364,0.62,1.0,0.8741690082927832,0.9259817695839901,0.5747549859502433,0.5779418819820438,0.7382119114522652
EOS-2-02956,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cnn2)cn1,WTZVYPNMJAVDGJ-UHFFFAOYSA-N,2,1,0.485,87,778,448.849,3.452,5,0.364,0.5,1.0,0.7508652594064834,0.8368172160921116,0.5550167911726407,0.6022205469124803,0.686229953395929
EOS-2-02957,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)cn1,PNQMBBLTYJGJDO-UHFFFAOYSA-N,2,1,0.423,18,194,448.849,3.452,5,0.364,0.64,0.847,0.7855099033650881,0.7477126310739497,0.5715252552943595,0.6117555342334315,0.6791258309917072
EOS-2-02958,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncncn1,VSVQILRMUHJTFB-UHFFFAOYSA-N,2,1,0.595,37,669,448.849,3.452,5,0.364,0.72,1.0,0.969570283051196,0.9595555479405112,0.6212819546295661,0.6290093208142006,0.7948542766088684
EOS-2-02959,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cn2)nc1,XDMGXPWSJJBMPV-UHFFFAOYSA-N,2,1,0.545,65,981,448.849,3.452,5,0.364,0.7,1.0,0.9363905832362415,0.9356452607771915,0.489813926392982,0.5124477417586183,0.7185743780412583
EOS-2-02960,Fc1nccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n1,DUMGASUTTAASOV-UHFFFAOYSA-N,2,1,0.511,58,981,448.849,3.452,5,0.287,0.64,1.0,0.8964687135905696,0.9259903365088068,0.5279624426016037,0.5221712014255363,0.7181481735316292
EOS-2-02961,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2)cn1,QPJJYACRUFPACE-UHFFFAOYSA-N,2,1,0.436,54,954,448.849,3.452,5,0.364,0.7,0.99,0.7328318826673977,0.7778339387293537,0.4369902679734083,0.502295935850867,0.6124880063052567
EOS-2-02962,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)nc1,INPSRQYDOLTREQ-UHFFFAOYSA-N,2,1,0.457,54,411,448.849,3.452,5,0.389,0.65,0.757,0.7143530258378452,0.7433263655678157,0.4585617846617778,0.5457131108217395,0.6154885717222945
EOS-2-02963,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)c1,BBMNQAMRHIGRLX-UHFFFAOYSA-N,2,1,0.442,54,411,448.849,3.452,5,0.389,0.65,0.764,0.7356846686313481,0.7477211979987664,0.4654581591391954,0.5589061750394079,0.6269425502021794
EOS-2-02964,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cn1,RSHZELJKBCVNJB-UHFFFAOYSA-N,2,1,0.474,87,173,448.849,3.452,5,0.287,0.69,1.0,0.7939483243095059,0.8997755465698033,0.4930607908984991,0.5023045027756836,0.672272291138373
EOS-2-02965,Fc1ncccc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cnn1,WOEMZTMMXVKDLD-UHFFFAOYSA-N,2,1,0.495,87,778,448.849,3.452,5,0.364,0.62,0.916,0.7328404495922144,0.8107908984990748,0.5210403673497361,0.5843413748200946,0.66225327256528
EOS-2-02966,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)nc1,IJBROIOJNCWYPF-UHFFFAOYSA-N,2,1,0.561,75,262,448.849,3.452,5,0.364,0.61,1.0,0.9164553491878555,0.8536169556575971,0.472534439037763,0.4986207251045165,0.6853068672469331
EOS-2-02967,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccn1,SDZUDHHWEHCRPD-UHFFFAOYSA-N,2,1,0.484,75,132,448.849,3.452,5,0.389,0.7,0.998,0.7855184702899047,0.7605201836748681,0.38593139606606813,0.4620827907614283,0.5985132101980674
EOS-2-02968,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)nc1,PCRSSIPTDARSFE-UHFFFAOYSA-N,2,1,0.539,87,930,448.849,3.452,5,0.389,0.72,1.0,0.8654650126790487,0.9068946610924542,0.4042988828730039,0.45261633883901037,0.6573187238708793
EOS-2-02969,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,ZJLGMNMXQHGLJS-UHFFFAOYSA-N,2,1,0.432,18,207,448.849,3.452,5,0.364,0.7,1.0,0.744791309711466,0.7387516277157151,0.6002587211294633,0.652465560962237,0.6840668048797204
EOS-2-02970,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)n1,FIANTMNMYRCWQW-UHFFFAOYSA-N,2,1,0.489,87,930,448.849,3.452,5,0.364,0.69,1.0,0.852254814611747,0.9108868480570215,0.3747515591803166,0.4211928586114728,0.6397715201151395
EOS-2-02971,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1-c1cnccn1,KRNNLZIPWQQMSA-UHFFFAOYSA-N,2,1,0.456,18,324,448.849,3.452,5,0.364,0.6,1.0,0.8102254814611747,0.7988229045301899,0.4585703515865945,0.5088324994859845,0.6441128092659859
EOS-2-02972,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)c(Cl)n4)n23)n1,HEYVUZYLDVNRMZ-UHFFFAOYSA-N,2,1,0.364,46,223,448.849,3.718,5,0.375,0.69,1.0,0.6871273387704749,0.6571431019121377,0.4551864162840107,0.4863957233911315,0.5714631450894386
EOS-2-02973,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)nc4)n23)cn1,CRIWXBNTLPACDE-UHFFFAOYSA-N,2,1,0.511,58,981,448.849,3.452,5,0.287,0.7,1.0,0.9029538756767871,0.9340946473853745,0.5244157357275032,0.5158745116852854,0.7193346926187376
EOS-2-02974,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cc(Cl)ncn5)nc4)n23)c1,YIMXMFVJUXNWEM-UHFFFAOYSA-N,2,1,0.505,65,981,448.849,3.452,5,0.364,0.65,1.0,0.8964772805153862,0.9169093962031389,0.5647316839147419,0.587245562332945,0.741340980741553
EOS-2-02975,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)cn1,AGDWEJZCNOXLIO-UHFFFAOYSA-N,2,1,0.561,75,262,448.849,3.452,5,0.364,0.68,1.0,0.9178003563840724,0.876961825783017,0.4725430059625797,0.49562230141868274,0.690731872387088
EOS-2-02976,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)ccn1,MQAJNWVBGHRDAH-UHFFFAOYSA-N,2,1,0.469,58,132,448.849,3.452,5,0.364,0.69,0.997,0.7237166746624631,0.8740233705708998,0.47255157288739635,0.522179768350353,0.648117846617778
EOS-2-02977,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,VBFLEVDFOUTKPK-UHFFFAOYSA-N,2,1,0.459,87,838,448.849,3.452,5,0.389,0.67,1.0,0.732849016517031,0.7650263861284353,0.4293742718113906,0.5088410664108012,0.6090226852169145
EOS-2-02978,Cc1ncc(-c2cnc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)cn1,NQWBHVMFCHWKQI-UHFFFAOYSA-N,2,1,0.455,51,48,448.849,3.718,5,0.4,0.65,1.0,0.7386059899938319,0.7433349324926325,0.6242461106161332,0.6262250702487835,0.6831030258378452
EOS-2-02979,Fc1cccc(CCOc2cncc3nnc(-c4ncc(-c5ccc(Cl)cc5)nn4)n23)n1,QVXLZMDCQNLZON-UHFFFAOYSA-N,2,1,0.467,72,639,448.849,3.452,5,0.364,0.71,1.0,0.7565365636351176,0.782211637310671,0.3521348776643136,0.4864042903159482,0.5943218422315125
EOS-2-02980,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)n1,LDWUDDXBUKNEGP-UHFFFAOYSA-N,2,1,0.464,58,304,448.849,3.452,5,0.364,0.66,1.0,0.8357977520389281,0.887456308683435,0.5072647522445343,0.5327684874237544,0.690821825097663
EOS-2-02981,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)nc1Cl,HABBSNCNAUWUNT-UHFFFAOYSA-N,2,1,0.495,58,579,448.849,3.452,5,0.364,0.64,0.999,0.8676838462065657,0.9045130559934206,0.5142467959701186,0.5291618120759373,0.7039013775615106
EOS-2-02982,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,UIJBVEXOHWQNON-UHFFFAOYSA-N,2,1,0.449,2,279,448.849,3.452,5,0.389,0.67,1.0,0.7594750188472346,0.7778425056541703,0.43699883489822494,0.512456308683435,0.6216931670207662
EOS-2-02983,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)ncn4)n23)c1,WSWAWDSBQYLCNB-UHFFFAOYSA-N,2,1,0.506,44,194,448.849,3.452,5,0.389,0.6,1.0,0.7207782194503461,0.7340569529161812,0.6359228291412514,0.6696508121444726,0.6901022034130628
EOS-2-02984,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)ncn4)n23)ccc1Cl,ZYYWRWMGTHAQHA-UHFFFAOYSA-N,2,1,0.583,44,194,448.849,3.452,5,0.389,0.65,1.0,0.8563498046741141,0.7693184154615859,0.6729576451237064,0.690065793982592,0.7471729148104995
EOS-2-02985,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cnnc(-c4cnccn4)c3)n12,QNCOVGRFHORFQH-UHFFFAOYSA-N,2,1,0.535,84,778,448.849,3.452,5,0.389,0.56,1.0,0.7797015283393873,0.8335103831128778,0.5841100678500446,0.6497070111712699,0.711757247618395
EOS-2-02986,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ncc(-c4ccncn4)cn3)n12,BWNPDFHIVQDYPV-UHFFFAOYSA-N,2,1,0.506,84,749,448.849,3.452,5,0.389,0.68,0.994,0.8260143238982934,0.7340655198409979,0.5106144198478514,0.57486635597286,0.6613901548900007
EOS-2-02987,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cnnc(-c4cnccn4)c3)n12,GWFZVHWBHACVID-UHFFFAOYSA-N,2,1,0.545,84,778,448.849,3.452,5,0.389,0.5,1.0,0.7447998766362827,0.8335189500376945,0.6242546775409499,0.6667380577068056,0.7173278904804331
EOS-2-02988,Cc1cc(-c2nnc3cncc(OCc4nc(-c5cnccn5)cnc4F)n23)ccc1Cl,WPWKSONNMSWQPE-UHFFFAOYSA-N,2,1,0.483,7,540,448.849,3.718,5,0.4,0.63,1.0,0.7267236652731136,0.8901034884517853,0.510622986772668,0.5457216777465561,0.6682929545610308
EOS-2-02989,Fc1cc(-c2cncnn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,LXRLIBHFXVCRPJ-UHFFFAOYSA-N,2,1,0.54,37,619,448.849,3.452,5,0.389,0.75,1.0,0.9308820505791241,0.9242255499965732,0.6566890548968543,0.6985813172503598,0.8025944931807278
EOS-2-02990,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cnc1Cl,IRLBOOTYPQTIOZ-UHFFFAOYSA-N,2,1,0.535,37,889,448.849,3.452,5,0.364,0.62,1.0,0.9585789185114112,0.9341032143101912,0.6595247070111713,0.6696593790692893,0.8054665547255158
EOS-2-02991,Cc1ncc(F)cc1COc1cncc2nnc(-c3cc(-c4cncnc4Cl)ccn3)n12,MWEBUHCDXUELHI-UHFFFAOYSA-N,2,1,0.374,46,160,448.849,3.718,5,0.375,0.57,0.998,0.7143615927626619,0.6044907819888973,0.6183606332670825,0.6053817421698308,0.6356486875471181
EOS-2-02992,Fc1nccnc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,PUNVGZPWQLKBTA-UHFFFAOYSA-N,2,1,0.494,65,76,448.849,3.452,5,0.364,0.61,1.0,0.7911041052703721,0.822467617024193,0.5481803851689397,0.5652114317044754,0.681740884791995
EOS-2-02993,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)nc1,QTXKGMVKERQEOZ-UHFFFAOYSA-N,2,1,0.388,44,481,448.849,3.452,5,0.364,0.72,0.902,0.6628144061407717,0.6376276471797684,0.42225515728873964,0.48941984785141524,0.5530292646151738
EOS-2-02994,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ncn1,DSJWKPFZIQXVCY-UHFFFAOYSA-N,2,1,0.408,44,481,448.849,3.452,5,0.364,0.72,0.435,0.7356932355561647,0.6328130354328011,0.3787009115208005,0.46209135768624493,0.5523246350490029
EOS-2-02995,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cn2)cn1,RGIMAEFKMIYZSS-UHFFFAOYSA-N,2,1,0.453,87,76,448.849,3.452,5,0.287,0.71,1.0,0.7967497087245562,0.890112055376602,0.4222637242135563,0.47433349324926327,0.6458647453909945
EOS-2-02996,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ncn2)cn1,WTADDZQAMCQEOG-UHFFFAOYSA-N,2,1,0.409,46,726,448.849,3.718,5,0.4,0.65,0.8,0.6871359056952916,0.6525512302104036,0.6094338976081146,0.6176153108080323,0.6416840860804606
EOS-2-02997,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)n1,ALFNFZIUKLNGJO-UHFFFAOYSA-N,2,1,0.523,46,488,448.849,3.718,5,0.4,0.61,0.913,0.8025152491261737,0.6765643204715236,0.6212905215543828,0.6290178877390172,0.6823469947227743
EOS-2-02998,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)n1,BQTZYZFADKPGBX-UHFFFAOYSA-N,2,1,0.46,51,196,448.849,3.718,5,0.4,0.62,1.0,0.8633575491741484,0.8368257830169282,0.5035638407237338,0.5190357069426359,0.6806957199643615
EOS-2-02999,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2)nc1,ZTKPEPNYABPGLS-UHFFFAOYSA-N,2,1,0.406,54,411,448.849,3.452,5,0.364,0.72,0.694,0.7386145569186485,0.7565965321088343,0.3747601261051333,0.46507264752244537,0.5837609656637655
EOS-2-03000,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nn2)cn1,ITFOZKQMGNNTJU-UHFFFAOYSA-N,2,1,0.482,54,411,448.849,3.452,5,0.364,0.63,1.0,0.8633661160989651,0.8335275169625112,0.5310979370845041,0.5748749228976766,0.7007166232609143
EOS-2-03001,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,ZDDRMLLWUNLLDT-UHFFFAOYSA-N,2,1,0.427,58,207,448.849,3.452,5,0.364,0.75,1.0,0.5988708793091632,0.6765728873963403,0.5106315536974847,0.5748834898224933,0.5902397025563704
EOS-2-03002,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nn4)n23)cn1,GANKKJGZSPNGCA-UHFFFAOYSA-N,2,1,0.482,54,411,448.849,3.452,5,0.364,0.65,1.0,0.8654735796038654,0.8566068124186142,0.5311065040093208,0.57489205674731,0.7070197381947776
EOS-2-03003,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nn2)c1,AYASJMGHCFGLND-UHFFFAOYSA-N,2,1,0.462,54,411,448.849,3.452,5,0.364,0.61,1.0,0.8544051127407306,0.7907699952025221,0.5210489342745528,0.5872541292577617,0.6883695428688917
EOS-2-03004,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cncnc1,PRQKLWKPXLBZAV-UHFFFAOYSA-N,2,1,0.511,37,215,448.849,3.452,5,0.389,0.63,1.0,0.8741775752175999,0.9108954149818381,0.5715338222191763,0.6262336371736001,0.7457101123980536
EOS-2-03005,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ncncn4)nc3)n12,YZJANNGJCLZSAK-UHFFFAOYSA-N,2,1,0.551,84,749,448.849,3.452,5,0.389,0.72,1.0,0.9136882324720719,0.9413079980810088,0.5715423891439929,0.6117641011582482,0.7595756802138305
EOS-2-03006,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccnc(Cl)n5)c4)n23)ccn1,IKRCIFFNVHWQSS-UHFFFAOYSA-N,2,1,0.536,75,583,448.849,3.452,5,0.287,0.66,1.0,0.8856743883215681,0.8504471934754301,0.544745048317456,0.5388595709684052,0.7049315502707147
EOS-2-03007,Cc1ncc(-c2ccc(F)nc2-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,JCBUKNFDJDONCQ-UHFFFAOYSA-N,2,1,0.409,55,62,448.849,3.718,5,0.375,0.63,0.991,0.7237252415872798,0.6621204852306216,0.5550253580974573,0.5556507436090741,0.6241304571311082
EOS-2-03008,Fc1cc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1-c1cnc(Cl)nc1,BHWZMAARIJQVQA-UHFFFAOYSA-N,2,1,0.517,37,716,448.849,3.452,5,0.364,0.65,1.0,0.8800630525666506,0.9325954355424577,0.5579723802343911,0.5903210883421287,0.740237989171407
EOS-2-03009,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)ncn4)n23)c1Cl,DPVFGUYPJRBWHS-UHFFFAOYSA-N,2,1,0.495,44,194,448.849,3.452,5,0.389,0.64,0.998,0.7207867863751628,0.747729764923583,0.6566976218216709,0.6845486944006579,0.7024407168802687
EOS-2-03010,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3cc(-c4cncnc4)ncn3)n12,PXTNTOHGCYJONQ-UHFFFAOYSA-N,2,1,0.5,44,194,448.849,3.452,5,0.389,0.61,1.0,0.7237338085120965,0.7693269823864026,0.6509492152696867,0.6786375162771572,0.7056618806113357
EOS-2-03011,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2)cn1,YKTGURHFIOMNFY-UHFFFAOYSA-N,2,1,0.462,87,367,448.849,3.452,5,0.364,0.69,1.0,0.765497566993352,0.7988314714550065,0.5279710095264204,0.5358268795833048,0.6570317318895209
EOS-2-03012,Fc1ncc(Cl)cc1-c1ccnc(-c2nnc3cncc(OCCc4cncnc4)n23)c1,QXGDXXVGCNFDBC-UHFFFAOYSA-N,2,1,0.417,18,840,448.849,3.452,5,0.364,0.65,1.0,0.8102340483859913,0.7201528339387293,0.5841186347748613,0.6147967925433486,0.6823255774107326
EOS-2-03013,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ncn2)ccn1,WEPJUUZLOMZSBU-UHFFFAOYSA-N,2,1,0.427,46,395,448.849,3.718,5,0.375,0.57,0.972,0.7143701596874786,0.5905266945377288,0.6453207456651361,0.6053903090946474,0.6389019772462478
EOS-2-03014,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)ccn1,HKYJMWVYWQDEBC-UHFFFAOYSA-N,2,1,0.427,46,395,448.849,3.74,5,0.362,0.59,0.871,0.5786015351929271,0.48267767802069766,0.57476355287506,0.5589147419642245,0.5487393770132273
EOS-2-03015,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cncnc1,YYOGDCSAGRJSFS-UHFFFAOYSA-N,2,1,0.5,37,494,448.849,3.452,5,0.389,0.7,1.0,0.8800716194914674,0.9242341169213899,0.5778476458090603,0.635134672058118,0.7543220135700088
EOS-2-03016,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1ccnnc1,LPFKOLXWXSWEDA-UHFFFAOYSA-N,2,1,0.511,20,202,448.849,3.452,5,0.389,0.61,1.0,0.8563583715989308,0.9205503392502228,0.5808375025700775,0.6351432389829347,0.7482223631005414
EOS-2-03017,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cnn2)cc1,PTDQOAPNOUTRPG-UHFFFAOYSA-N,2,1,0.56,37,778,448.849,3.452,5,0.364,0.58,1.0,0.8856829552463847,0.9088993214995545,0.555033925022274,0.6148053594681653,0.7411053903090945
EOS-2-03018,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)nn1,WTUGEDUEBQGEJB-UHFFFAOYSA-N,2,1,0.467,19,691,448.849,3.452,5,0.389,0.75,0.998,0.7711603042971695,0.7907785621273388,0.3669642245219656,0.49862929202933315,0.6068830957439517
EOS-2-03019,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)nn2)ccc1Cl,ZDCDMNPQAMXMEY-UHFFFAOYSA-N,2,1,0.451,54,691,448.849,3.452,5,0.389,0.71,0.986,0.7939568912343226,0.8301607155095607,0.4757299019943801,0.5779504489068604,0.6694494894112809
EOS-2-03020,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)nnc1Cl,ZWULUBKUFCQECZ-UHFFFAOYSA-N,2,1,0.468,87,419,448.849,3.452,5,0.389,0.69,1.0,0.7083647453909945,0.8107994654238915,0.48982249331779865,0.5652199986292921,0.6435516756904942
EOS-2-03021,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,PENJOPQCXIKGKX-UHFFFAOYSA-N,2,1,0.473,87,132,448.849,3.452,5,0.364,0.69,1.0,0.6720238503186896,0.8070557192790077,0.5244243026523199,0.5779590158316771,0.6453657220204236
EOS-2-03022,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)nn2)cc1,FQYIPELSQDERTF-UHFFFAOYSA-N,2,1,0.466,54,411,448.849,3.452,5,0.389,0.77,0.914,0.7911126721951888,0.814705983140292,0.39705126447810296,0.5158830786101021,0.6296882496059214
EOS-2-03023,Cc1ccc(-c2nnc3cncc(OCc4nnccc4-c4cnc(Cl)cn4)n23)cc1F,ZPNFFPMOWSEADW-UHFFFAOYSA-N,2,1,0.447,16,212,448.849,3.718,5,0.4,0.62,1.0,0.6991553012130766,0.7945737098211226,0.5808460694948941,0.5992906586251799,0.6684664347885684
EOS-2-03024,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)cnc1Cl,HWZQDWWIAZXEHM-UHFFFAOYSA-N,2,1,0.43,18,324,448.849,3.452,5,0.364,0.58,1.0,0.7267322321979303,0.7062829826605441,0.568081351518059,0.5843499417449113,0.6463616270303612
EOS-2-03025,Fc1cc(Cl)cc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ncn2)c1,GCXVRXYUTGAIDM-UHFFFAOYSA-N,2,1,0.506,44,194,448.849,3.452,5,0.389,0.59,0.999,0.7739873894866699,0.7566050990336509,0.5808546364197108,0.6411229525049689,0.6881425193612501
EOS-2-03026,Fc1ccncc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,AARMZXXPMBGDQW-UHFFFAOYSA-N,2,1,0.458,2,822,448.849,3.452,5,0.389,0.65,1.0,0.7357018024809814,0.7907871290521554,0.5447536152422726,0.6117726680830649,0.6707538037146186
EOS-2-03027,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc2)cn1,VKYOXMIXQKETOG-UHFFFAOYSA-N,2,1,0.457,87,367,448.849,3.452,5,0.364,0.69,1.0,0.7508738263313001,0.7945822767459393,0.5311150709341375,0.5521383044342403,0.6571773696114043
EOS-2-03028,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)n1,RPHXLFOCUZYTGH-UHFFFAOYSA-N,2,1,0.402,46,565,448.849,3.718,5,0.375,0.69,1.0,0.6961054759783428,0.6571516688369543,0.5612963470632581,0.5619731341237749,0.6191316565005826
EOS-2-03029,FCc1cncc(COc2cncc3nnc(-c4ccnc(-c5ccnc(Cl)n5)c4)n23)c1,FUMFVILNFLNKQQ-UHFFFAOYSA-N,2,1,0.472,75,99,448.849,3.74,5,0.362,0.65,0.993,0.7112774998286615,0.6093567952847646,0.5808632033445275,0.5427146871359056,0.6110530463984648
EOS-2-03030,Fc1ccc(-c2cnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cn1,AMSYDNOMJVTYSN-UHFFFAOYSA-N,2,1,0.5,18,773,448.849,3.452,5,0.364,0.65,1.0,0.810242615310808,0.8263227331916935,0.5447621821670893,0.5779675827564937,0.6898237783565212
EOS-2-03031,Cc1c(F)cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)nn1,BJMBZOAXJKRMIC-UHFFFAOYSA-N,2,1,0.407,54,62,448.849,3.718,5,0.4,0.69,0.807,0.7299191282297307,0.6668751285038722,0.5872798300322116,0.617623877732849,0.6504244911246659
EOS-2-03032,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ccnnc1,PSBKSTIORXPBRZ-UHFFFAOYSA-N,2,1,0.511,72,482,448.849,3.452,5,0.389,0.67,1.0,0.869868412034816,0.9341117812350079,0.5747721197998766,0.6351518059077513,0.7534760297443629
EOS-2-03033,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)ncc1F,PSXDFRVXCFAMCN-UHFFFAOYSA-N,2,1,0.478,55,930,448.849,3.718,5,0.4,0.7,1.0,0.8544136796655473,0.8184925639092592,0.48651566033856486,0.48942841477623195,0.6622125796724008
EOS-2-03034,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)nc(Cl)n2)cn1,XKENDXWGBROEQU-UHFFFAOYSA-N,2,1,0.43,46,62,448.849,3.718,5,0.375,0.68,1.0,0.7237423754369131,0.657160235761771,0.5715509560688096,0.5488828730039065,0.62533411006785
EOS-2-03035,Fc1ccc(-c2nnc3cncc(OCc4cnc(=Nc5ccccc5)[nH]n4)n23)c(Cl)c1,IFBSSLYTQJOYQK-UHFFFAOYSA-N,2,1,0.528,34,146,448.849,3.513,5,0.441,0.56,0.866,0.5562075937221574,0.6328216023576178,0.5000171338496333,0.5619817010485916,0.5627570077445
EOS-2-03036,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccncc5Cl)n34)ncn2)cc1F,YXTCXIYXPGWONJ-UHFFFAOYSA-N,2,1,0.378,46,395,448.849,3.718,5,0.4,0.62,0.759,0.6811304913988074,0.6279470221369338,0.6509577821945035,0.6437444314988692,0.6509449318072784
EOS-2-03037,Fc1ncncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)nc1,KFNVKPZOQGCOBQ-UHFFFAOYSA-N,2,1,0.439,87,814,448.849,3.452,5,0.364,0.68,0.996,0.7479011034199163,0.7693355493112193,0.5515129189226236,0.5903296552669454,0.6647698067301762
EOS-2-03038,Fc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cncnc1,GZQGHJJBCBSVDQ-UHFFFAOYSA-N,2,1,0.443,87,814,448.849,3.452,5,0.364,0.57,0.998,0.7655061339181687,0.777851072578987,0.5380371461860051,0.5872626961825783,0.6671642622164348
EOS-2-03039,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cncnc1,ZVLGCSMCPNKCLN-UHFFFAOYSA-N,2,1,0.448,87,814,448.849,3.452,5,0.364,0.61,0.992,0.7826828181755877,0.7822202042354877,0.5311236378589541,0.5717479953395929,0.6669436639024056
EOS-2-03040,Fc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cncnc1,VSOGDBUQYWBDKR-UHFFFAOYSA-N,2,1,0.418,58,814,448.849,3.452,5,0.364,0.64,0.998,0.7237509423617299,0.7693441162360359,0.50002570077445,0.5427232540607224,0.6339610033582346
EOS-2-03041,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cnc1F,KEYSVCUBENHZLC-UHFFFAOYSA-N,2,1,0.43,55,617,448.849,3.718,5,0.375,0.67,1.0,0.6658984990747722,0.7155609622369954,0.5550424919470907,0.5388681378932219,0.61884252278802
EOS-2-03042,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)nc1,SUCUPIXUVCAQSC-UHFFFAOYSA-N,2,1,0.5,58,279,448.849,3.452,5,0.389,0.64,1.0,0.8285329997943938,0.8976509492152697,0.41841717497087244,0.4835001028030978,0.6570253066959084
EOS-2-03043,FCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)cn1,ISRSJPWIELYTPR-UHFFFAOYSA-N,2,1,0.462,46,238,448.849,3.74,5,0.362,0.57,0.792,0.5988794462339798,0.5101432389829347,0.5715595229936262,0.5556593105338907,0.5590603796861078
EOS-2-03044,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)nc1,VZXXWZCIWFZAPG-UHFFFAOYSA-N,2,1,0.489,75,583,448.849,3.452,5,0.389,0.65,1.0,0.7883027208553218,0.7822287711603043,0.42938283873620725,0.4894369817010486,0.6223378281132205
EOS-2-03045,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)n1,NZYISONNKULGMQ-UHFFFAOYSA-N,2,1,0.466,46,959,448.849,3.718,5,0.375,0.71,1.0,0.7328575834418477,0.6093653622095813,0.5515214858474402,0.5488914399287231,0.6106589678568981
EOS-2-03046,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)ccn1,QUWOAFKLNDFBDR-UHFFFAOYSA-N,2,1,0.435,18,194,448.849,3.452,5,0.364,0.62,1.0,0.7565451305599342,0.6718011102734562,0.5808717702693441,0.5992992255499966,0.6521293091631828
EOS-2-03047,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)cc1,ROXWSKKKAUGANK-UHFFFAOYSA-N,2,1,0.446,44,130,448.849,3.452,5,0.389,0.65,0.983,0.7357103694057981,0.7433434994174491,0.4406911794942088,0.5388767048180385,0.6146554382838736
EOS-2-03048,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,YUUWCOFMLSOWOH-UHFFFAOYSA-N,2,1,0.506,15,132,448.849,3.452,5,0.389,0.7,1.0,0.8025238160509903,0.7988400383798232,0.37870947844561714,0.43970598314029197,0.6049448290041807
EOS-2-03049,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)ncn1,VNLFMRYFULGEQJ-UHFFFAOYSA-N,2,1,0.447,44,130,448.849,3.452,5,0.389,0.65,0.622,0.6720324172435063,0.666883695428689,0.36697279144678224,0.48641285724076483,0.5480754403399356
EOS-2-03050,Fc1ncncc1-c1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccn1,FWOOWKRLWAURRU-UHFFFAOYSA-N,2,1,0.539,75,496,448.849,3.452,5,0.364,0.64,1.0,0.8285415667192104,0.8108080323487081,0.6298574463710507,0.6437529984236858,0.7282400109656637
EOS-2-03051,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4cnc(Cl)nc4)c3)n12,HSLDVDKFSFDMAB-UHFFFAOYSA-N,2,1,0.565,75,496,448.849,3.452,5,0.364,0.64,1.0,0.8308974710437941,0.8654478788294154,0.615430744979782,0.6053988760194641,0.7292937427181139
EOS-2-03052,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)nc1,NNVSDTVYBMVTOO-UHFFFAOYSA-N,2,1,0.517,2,491,448.849,3.452,5,0.389,0.63,1.0,0.8544222465903639,0.8335360838873278,0.5106401206223015,0.5556678774587074,0.6885665821396751
EOS-2-03053,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)c2)nc1,SVBZVPHHRGJQBI-UHFFFAOYSA-N,2,1,0.489,2,422,448.849,3.452,5,0.364,0.62,1.0,0.8838667671852511,0.8224761839490097,0.5447707490919059,0.5686125008566925,0.7049315502707149
EOS-2-03054,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)n1,RIOQMXYQQQICCI-UHFFFAOYSA-N,2,1,0.495,75,819,448.849,3.452,5,0.364,0.7,1.0,0.7207953532999795,0.7693526831608526,0.4443406894661092,0.48642142416558154,0.6052275375231307
EOS-2-03055,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nc1,DHJHWUHWYVBWLQ-UHFFFAOYSA-N,2,1,0.524,2,491,448.849,3.452,5,0.364,0.61,1.0,0.8522633815365637,0.8301692824343774,0.5142553628949352,0.5427318209855391,0.6848549619628538
EOS-2-03056,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)nc3Cl)n12,VZFBQRVXHQKHMI-UHFFFAOYSA-N,2,1,0.512,65,324,448.849,3.452,5,0.364,0.58,1.0,0.865482146528682,0.9045216229182372,0.5244328695771366,0.5589233088890412,0.7133399869782743
EOS-2-03057,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,YXTZSHFUCDGOTD-UHFFFAOYSA-N,2,1,0.522,65,76,448.849,3.452,5,0.287,0.69,1.0,0.9107497772599548,0.9326040024672744,0.6002672880542801,0.587271263107395,0.757723082722226
EOS-2-03058,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ccncc1,DVASYJJWVCJNGP-UHFFFAOYSA-N,2,1,0.421,58,132,448.849,3.452,5,0.364,0.67,0.988,0.7174713864711123,0.7433520663422658,0.4259560688095401,0.4956308683434994,0.5956025974916044
EOS-2-03059,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)nc1Cl,VWULMPYXLPPCAQ-UHFFFAOYSA-N,2,1,0.516,37,889,448.849,3.452,5,0.364,0.67,1.0,0.9475532862723597,0.9309077513535742,0.5904581591391954,0.6148139263929819,0.7709332807895277
EOS-2-03060,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)n1,XERJMRWUSBPMML-UHFFFAOYSA-N,2,1,0.646,59,294,448.849,3.718,5,0.4,0.7,1.0,0.8633746830237817,0.7864865327941882,0.5872883969570283,0.6148224933177986,0.7129930265231992
EOS-2-03061,N=c1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)c[nH]1,XPYCLXZOURWUDG-UHFFFAOYSA-N,2,1,0.545,4,71,448.849,3.427,5,0.425,0.64,1.0,0.6270903296552669,0.6765814543211569,0.7576502638612843,0.7496230553080666,0.7027362757864437
EOS-2-03062,Fc1cc(CCOc2cncc3nnc(-c4cnc(-c5cccnn5)nc4)n23)ccc1Cl,WKZLIZXKJHCBFY-UHFFFAOYSA-N,2,1,0.65,84,360,448.849,3.452,5,0.389,0.74,1.0,0.8522719484613803,0.8769703927078336,0.5447793160167227,0.5935165512987458,0.7168845521211706
EOS-2-03063,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)nc1,PFYZXSAKAIMKBM-UHFFFAOYSA-N,2,1,0.446,44,481,448.849,3.452,5,0.364,0.66,1.0,0.7536923445959838,0.6765900212459736,0.5179819751901857,0.5619902679734082,0.6275636522513878
EOS-2-03064,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)ncn2)n1,FQDUTOADCVTPKG-UHFFFAOYSA-N,2,1,0.432,44,481,448.849,3.452,5,0.364,0.58,0.995,0.779710095264204,0.6914365019532589,0.4620142553628949,0.5190442738674526,0.6130512816119527
EOS-2-03065,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)ccc1F,IWMCAPIHCIGISA-UHFFFAOYSA-N,2,1,0.456,4,617,448.849,3.718,5,0.4,0.67,1.0,0.6991638681378932,0.7735933109451032,0.48287471729148107,0.48023610444794734,0.6089670002056062
EOS-2-03066,FCc1ccncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)nn1,UUTPOCYDQFFVBB-UHFFFAOYSA-N,2,1,0.421,54,670,448.849,3.74,5,0.362,0.67,0.992,0.5988880131587965,0.5857463504900281,0.47573846891919674,0.5158916455349187,0.544066119525735
EOS-2-03067,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cncc(-c4cncnn4)c3)n12,KHCFVAMKDLYXPK-UHFFFAOYSA-N,2,1,0.523,84,749,448.849,3.452,5,0.389,0.69,1.0,0.8152799671030087,0.7907956959769721,0.6675176478651224,0.7152782537180453,0.7472178911657872
EOS-2-03068,Cc1cnc(-c2cnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cn1,DFXMUNKHHZWQCH-UHFFFAOYSA-N,2,1,0.605,46,540,448.849,3.718,5,0.4,0.71,1.0,0.8102511822356246,0.7566136659584676,0.6032485778904805,0.6117812350078816,0.6954736652731136
EOS-2-03069,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cncnc1,OJCJOJFADGRJIY-UHFFFAOYSA-N,2,1,0.451,18,773,448.849,3.452,5,0.364,0.6,1.0,0.8207542320608594,0.830177849359194,0.5937392913439792,0.6117898019326983,0.7141152936741827
EOS-2-03070,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccncn5)ncn4)n23)ccc1Cl,HMAKCIVMQAVKBE-UHFFFAOYSA-N,2,1,0.585,44,481,448.849,3.452,5,0.389,0.66,0.999,0.8610958810225482,0.7566222328832842,0.6268333219107669,0.6497155780960866,0.7235667534781715
EOS-2-03071,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)ccc1F,NJYTUQHHBUGKIN-UHFFFAOYSA-N,2,1,0.44,46,726,448.849,3.718,5,0.4,0.62,0.992,0.570531492015626,0.5857549174148448,0.5142639298197519,0.5221883352751696,0.5481846686313481
EOS-2-03072,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)n1,GWNUZULNSFTSOF-UHFFFAOYSA-N,2,1,0.474,87,173,448.849,3.452,5,0.287,0.67,1.0,0.8102597491604414,0.9205589061750394,0.4898310602426153,0.492495373860599,0.6782862723596738
EOS-2-03073,Fc1c(CCOc2cncc3nnc(-c4cnnc(-c5ccncc5)c4)n23)ccnc1Cl,RHZHBDULRMGABT-UHFFFAOYSA-N,2,1,0.534,35,778,448.849,3.452,5,0.364,0.46,0.999,0.7357189363306148,0.7778596395038038,0.6212990884791995,0.6437615653485025,0.6946598074155301
EOS-2-03074,Fc1cccnc1-c1nccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,HVOXYQBIMUHTGZ-UHFFFAOYSA-N,2,1,0.441,18,578,448.849,3.452,5,0.364,0.66,1.0,0.8050167911726407,0.7340740867658145,0.37476869302995,0.452624905763827,0.591621119183058
EOS-2-03075,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,LFLNCTSCLCDJPV-UHFFFAOYSA-N,2,1,0.464,87,838,448.849,3.452,5,0.389,0.65,1.0,0.717479953395929,0.765034953053252,0.46546672606401207,0.5358354465081214,0.6209542697553285
EOS-2-03076,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccnnc5)ncn4)n23)ccc1Cl,HNXIXULCBSTWIA-UHFFFAOYSA-N,2,1,0.576,44,308,448.849,3.452,5,0.389,0.6,1.0,0.8234185456788431,0.7109005551367281,0.6785004454800905,0.6985898841751764,0.7278523576177095
EOS-2-03077,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,OJIWPSKVCNKYSF-UHFFFAOYSA-N,2,1,0.411,46,62,448.849,3.718,5,0.375,0.69,1.0,0.7174885203207456,0.6279555890617504,0.5481889520937564,0.5619988348982249,0.6139079740936193
EOS-2-03078,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)c2)cn1,WXPXUUNAZGPHIA-UHFFFAOYSA-N,2,1,0.409,7,720,448.849,3.718,5,0.4,0.64,1.0,0.5705400589404427,0.5701716811733261,0.5380457131108217,0.5358440134329381,0.5536503666643822
EOS-2-03079,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)cn1,ISZQTGLEBCMHDI-UHFFFAOYSA-N,2,1,0.459,51,196,448.849,3.718,5,0.4,0.66,1.0,0.8405866630114454,0.8821191145226509,0.5413182783907888,0.5388852717428552,0.7007273319169351
EOS-2-03080,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ccc(F)cn5)nn4)n23)ccc1Cl,RJVJKYUDCITADZ-UHFFFAOYSA-N,2,1,0.477,4,32,448.849,3.718,5,0.4,0.66,1.0,0.7299276951545474,0.879643273250634,0.48983962716743196,0.5686210677815091,0.6670079158385306
EOS-2-03081,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)cn1,PQNDCVBRJWIMJM-UHFFFAOYSA-N,2,1,0.5,51,716,448.849,3.718,5,0.4,0.68,1.0,0.9136967993968885,0.892947707490919,0.5579809471592078,0.5521468713590569,0.7291930813515181
EOS-2-03082,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2)nn1,TZSIGHJMQCLAJW-UHFFFAOYSA-N,2,1,0.461,54,773,448.849,3.452,5,0.364,0.65,1.0,0.8676924131313823,0.847303132067713,0.5244414365019533,0.5489000068535399,0.6970842471386471
EOS-2-03083,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1-c1ccncn1,CBSFIEGFYXKUQM-UHFFFAOYSA-N,2,1,0.558,35,361,448.849,3.452,5,0.364,0.71,1.0,0.9704612432321293,0.9495579466794599,0.6002758549790967,0.6086200397505311,0.7822287711603042
EOS-2-03084,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cn1,IOECXWVKCNGLTQ-UHFFFAOYSA-N,2,1,0.474,58,954,448.849,3.452,5,0.364,0.68,1.0,0.7994911246658899,0.9045301898430539,0.44434925639092593,0.477383318483997,0.6564384723459666
EOS-2-03085,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)ccc1Cl,AOCODAONZBBPIC-UHFFFAOYSA-N,2,1,0.489,73,82,448.849,3.718,5,0.4,0.69,1.0,0.8050253580974573,0.89978411349462,0.48984819409224867,0.532777054348571,0.6818586800082242
EOS-2-03086,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ncn3)n12,OGEWTPZYMQNHKO-UHFFFAOYSA-N,2,1,0.438,18,194,448.849,3.452,5,0.364,0.61,1.0,0.7594835857720512,0.7693612500856692,0.5969004866013295,0.6233808512096498,0.687281543417175
EOS-2-03087,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)cn1,SBPQIPIROJLWDB-UHFFFAOYSA-N,2,1,0.446,18,194,448.849,3.452,5,0.364,0.62,1.0,0.8102683160852581,0.7521674319786169,0.5904667260640121,0.6117983688575149,0.6911752107463506
EOS-2-03088,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)cn1,MSGTXDUAADSALB-UHFFFAOYSA-N,2,1,0.516,75,583,448.849,3.452,5,0.389,0.63,1.0,0.759492152696868,0.8070642862038243,0.4898567610170653,0.5327856212733877,0.6472997052977862
EOS-2-03089,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)nc1Cl,LRSLSAZUYCLFHJ-UHFFFAOYSA-N,2,1,0.495,75,496,448.849,3.452,5,0.364,0.61,0.999,0.7883112877801385,0.8263313001165101,0.5747806867246933,0.5872798300322116,0.6941757761633883
EOS-2-03090,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5Cl)n34)ccn2)n1,MTGNGCRGEGLHLW-UHFFFAOYSA-N,2,1,0.456,7,564,448.849,3.718,5,0.4,0.66,1.0,0.7994996915907066,0.7109091220615448,0.6242632444657665,0.6148310602426154,0.6873757795901584
EOS-2-03091,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)nc1,MSEMCIMILYIYIZ-UHFFFAOYSA-N,2,1,0.549,75,262,448.849,3.452,5,0.364,0.61,1.0,0.8894181344664519,0.8368343499417449,0.4828832842162977,0.5124648756082517,0.6804001610581866
EOS-2-03092,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cc2Cl)n1,XAYMTUNOPMYWAD-UHFFFAOYSA-N,2,1,0.5,16,772,448.849,3.718,5,0.4,0.64,1.0,0.9363991501610582,0.8714789939003496,0.6002844219039134,0.5963693372626961,0.7511329758070043
EOS-2-03093,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ccn2)ccn1,JWMMMZJWYLCNGU-UHFFFAOYSA-N,2,1,0.446,75,43,448.849,3.718,5,0.375,0.59,1.0,0.7537009115208005,0.6814988691659242,0.5000342676992666,0.4864299910903982,0.6054160098690974
EOS-2-03094,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2F)cn1,VWYSEXOQQAAYAL-UHFFFAOYSA-N,2,1,0.483,51,716,448.849,3.718,5,0.4,0.64,1.0,0.8405952299362621,0.8566153793434309,0.6094424645329313,0.5963779041875128,0.7257577445000343
EOS-2-03095,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cnccn1,PSFAWLBVTFLPJU-UHFFFAOYSA-N,2,1,0.517,37,132,448.849,3.452,5,0.389,0.66,1.0,0.8856915221712014,0.8997926804194366,0.5035724076485505,0.5652285655541087,0.7135712939483243
EOS-2-03096,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)ccn1,HXBPXMNHSJAQIP-UHFFFAOYSA-N,2,1,0.44,18,578,448.849,3.452,5,0.364,0.61,1.0,0.7448084435610993,0.6718096771982729,0.5937478582687958,0.614839627167432,0.6563014015489
EOS-2-03097,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5cnc(F)cn5)c4)n23)c1Cl,KNIXNKRIMZAOLU-UHFFFAOYSA-N,2,1,0.451,75,99,448.849,3.718,5,0.4,0.66,1.0,0.7508823932561168,0.715569529161812,0.6002929888287301,0.5812315811116442,0.6619941230895758
EOS-2-03098,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)ncn4)n23)c1,NSZFTPVAMYEZJP-UHFFFAOYSA-N,2,1,0.5,44,842,448.849,3.452,5,0.389,0.64,1.0,0.7565536974847509,0.6765985881707902,0.4828918511411144,0.5457302446713728,0.6154435953670071
EOS-2-03099,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)cn1,JLXFIHZXPLDAIB-UHFFFAOYSA-N,2,1,0.5,87,304,448.849,3.452,5,0.389,0.68,1.0,0.8078010417380577,0.912908642313755,0.48290041806593104,0.5221969021999863,0.6814517510794326
EOS-2-03100,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5Cl)n34)ccn2)cn1,XJSNFHXDSUFCMX-UHFFFAOYSA-N,2,1,0.472,75,99,448.849,3.718,5,0.375,0.65,1.0,0.7386231238434652,0.7062915495853609,0.5680899184428757,0.5427403879103557,0.6389362449455144
EOS-2-03101,Fc1cc(Cl)cnc1CCOc1cncc2nnc(-c3ccnc(-c4cncnc4)c3)n12,LPLWBLZCAFMDIW-UHFFFAOYSA-N,2,1,0.468,75,496,448.849,3.452,5,0.389,0.6,1.0,0.7684360222054691,0.7945908436707559,0.5447878829415393,0.5779761496813104,0.6714477246247688
EOS-2-03102,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cncnn1,NLIMHVRSIFRSQM-UHFFFAOYSA-N,2,1,0.5,37,639,448.849,3.452,5,0.364,0.72,1.0,0.9122746898773216,0.906903228017271,0.5808803371941608,0.6321962168460009,0.7580636179836886
EOS-2-03103,Fc1ccc(Oc2ccccc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,MCTHROKQMOUVJU-UHFFFAOYSA-N,2,1,0.483,34,210,448.845,4.745,5,0.37,0.8,1.0,0.8152885340278254,0.7778682064286204,0.7284970187101638,0.7624477417586183,0.7710253752313071
EOS-2-03104,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1Oc1ccccc1,DGISTJIMLFSCTQ-UHFFFAOYSA-N,2,1,0.517,1,881,448.845,4.745,5,0.37,0.7,1.0,0.8285501336440272,0.8769789596326503,0.8005191556438901,0.8000736755534233,0.8265304811184977
EOS-2-03105,Fc1cccc(Oc2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)n1,CSDHOCLGIYFSSN-UHFFFAOYSA-N,2,1,0.528,97,881,448.845,4.745,5,0.346,0.74,1.0,0.9502004660407101,0.9069117949420876,0.8470546912480296,0.82509766294291,0.8823161537934343
EOS-2-03106,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2)cc1,VDJZLCJERJXRRA-UHFFFAOYSA-N,2,1,0.549,1,881,448.845,4.745,5,0.37,0.83,1.0,0.8838753341100678,0.9129172092385717,0.8179699814954424,0.8292012199300939,0.8609909361935439
EOS-2-03107,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cc2)nc1,BWCKWASBGCCUID-UHFFFAOYSA-N,2,1,0.5,1,22,448.845,4.325,5,0.427,0.66,1.0,0.802532382975807,0.803149201562607,0.8470632581728462,0.8332876430676445,0.8215081214447262
EOS-2-03108,COc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1ccccn1,ODFKYHSWJMGUKL-UHFFFAOYSA-N,2,1,0.517,13,703,448.845,4.842,5,0.38,0.72,1.0,0.8633832499485985,0.7778767733534371,0.7461620176821329,0.7282742786649304,0.7789240799122747
EOS-2-03109,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccccn1,BDVZEESXLXKBDL-UHFFFAOYSA-N,2,1,0.409,13,703,448.845,4.842,5,0.38,0.71,1.0,0.7537094784456172,0.7292423411692139,0.723202659173463,0.7068483996984443,0.7282507196216845
EOS-2-03110,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)ccc1-c1ccccn1,AVURRUAHQSNUBN-UHFFFAOYSA-N,2,1,0.517,13,703,448.845,4.842,5,0.38,0.74,1.0,0.8563669385237476,0.7387601946405319,0.7461705846069495,0.7282828455897471,0.7673951408402441
EOS-2-03111,Fc1cc(COc2cncc3nnc(-c4ccc(Oc5cncnc5)cc4)n23)ccc1Cl,GOAJAIMWQZBTID-UHFFFAOYSA-N,2,1,0.73,59,96,448.845,4.745,5,0.37,0.8,1.0,0.9830460557878145,0.9654495922143788,0.9183486395723391,0.9018144746761703,0.9421646905626756
EOS-2-03112,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2)cn1,JAOLFMFHPUXUMV-UHFFFAOYSA-N,2,1,0.549,97,881,448.845,4.745,5,0.346,0.78,1.0,0.9509714892742102,0.9259989034336235,0.8853574121033514,0.8621924473990816,0.9061300630525666
EOS-2-03113,COc1cc(Cl)cc(Oc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)c1,PIQLWNNFVCLDSN-UHFFFAOYSA-N,2,1,0.5,13,284,448.845,4.842,5,0.355,0.73,1.0,0.8207627989856761,0.8473116989925297,0.8789836200397505,0.8485967377150299,0.8489137139332465
EOS-2-03114,COc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)cc2F)cn1,FYEVMQHJONRMRG-UHFFFAOYSA-N,2,1,0.64,13,15,448.845,4.842,5,0.38,0.84,1.0,0.9192567336029059,0.8874648756082517,0.8439877321636625,0.8231615379343431,0.8684677198272908
EOS-2-03115,COc1ccc(-c2nnc3cncc(Oc4nnc(-c5ccccc5Cl)cc4F)n23)cc1,MOUOQLWVTFNQSK-UHFFFAOYSA-N,2,1,0.524,57,417,448.845,4.842,5,0.38,0.72,1.0,0.9137053663217052,0.8874734425330684,0.7959015831677061,0.7796586937153039,0.8441847714344458
EOS-2-03116,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cncnc1,VSLIDFFJQWRVLU-UHFFFAOYSA-N,2,1,0.506,13,209,448.845,4.842,5,0.38,0.7,1.0,0.8611044479473648,0.8404495922143788,0.9079826605441711,0.8787437461448838,0.8720701117126995
EOS-2-03117,Oc1cc(Cl)c(F)cc1-c1nnc2cncc(OCc3ccc(-c4cccnc4)cn3)n12,RSEHRFDQGOZLPI-UHFFFAOYSA-N,2,1,0.593,97,71,448.845,4.325,5,0.427,0.66,1.0,0.7739959564114866,0.8473202659173463,0.8640343362346652,0.8553646083201973,0.8351787917209239
EOS-2-03118,COc1cncc(-c2cccc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)c2)n1,FYVMVWYXRCJDBI-UHFFFAOYSA-N,2,1,0.524,13,671,448.845,4.842,5,0.38,0.81,1.0,0.8475173051881296,0.8263398670413269,0.7959101500925228,0.7863494619971215,0.8140291960797751
EOS-2-03119,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c(F)c2)nc1,SKYIXPCBWQBSDJ-UHFFFAOYSA-N,2,1,0.483,97,992,448.845,4.325,5,0.399,0.65,1.0,0.8911315194297855,0.8368429168665615,0.8580888904118977,0.8451442670139127,0.8578018984305393
EOS-2-03120,O=c1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c2)n[nH]1,WJIUUZULTXMDFL-UHFFFAOYSA-N,2,1,0.495,57,709,448.845,3.913,5,0.437,0.76,1.0,0.8128555273798918,0.7201614008635461,0.8580974573367144,0.87466588993215,0.8164450688780756
EOS-2-03121,Fc1cccc(Oc2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,BVEQPOMNECSDLM-UHFFFAOYSA-N,2,1,0.578,57,210,448.845,4.745,5,0.37,0.79,1.0,0.9403142348022754,0.9762010828592969,0.7556027688301008,0.7909670344733054,0.8657712802412445
EOS-2-03122,Oc1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1-c1ccncn1,SQQSKFUBAWJSET-UHFFFAOYSA-N,2,1,0.65,59,96,448.845,4.325,5,0.427,0.6,1.0,0.9744105955726132,0.9294856418340073,0.9016174354053869,0.8859742306901515,0.9228719758755397
EOS-2-03123,Oc1nc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)ccc1F,QIGLJLZTJLLWQE-UHFFFAOYSA-N,2,1,0.456,34,560,448.845,4.325,5,0.427,0.7,0.965,0.6270988965800837,0.7201699677883627,0.7895106572544719,0.8022325406072236,0.7347530155575354
EOS-2-03124,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cn4)n23)c(F)c1,OHBYDVCVDUTPBO-UHFFFAOYSA-N,2,1,0.407,13,284,448.845,4.842,5,0.355,0.84,1.0,0.8234271126036597,0.7864950997190049,0.8764649441436502,0.8412206154478789,0.8319019429785484
EOS-2-03125,Oc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1ccncn1,SNHBYIUEQBZBID-UHFFFAOYSA-N,2,1,0.5,59,521,448.845,4.325,5,0.427,0.58,0.999,0.9531132204783771,0.8953978479884861,0.894626824754986,0.8802343910629841,0.9058430710712083
EOS-2-03126,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1Oc1ccccc1,MZNHXVDJPXWRQA-UHFFFAOYSA-N,2,1,0.518,1,881,448.845,4.745,5,0.37,0.73,1.0,0.9060208347611541,0.9021143170447536,0.7487406620519498,0.7651034884517853,0.8304948255774107
EOS-2-03127,COc1ncncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nn1,SZHLJBKACIBFMM-UHFFFAOYSA-N,2,1,0.351,51,924,448.834,2.069,5,0.377,0.56,0.946,0.5646974162154753,0.4653039544924954,0.07620279624426016,0.07081420053457611,0.2942545918717018
EOS-2-03128,N#Cc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)no2)nc1,ZSKGKKNCXGECQZ-UHFFFAOYSA-N,2,1,0.523,73,756,448.805,3.479,5,0.396,0.81,1.0,0.744817010485916,0.8368514837913782,0.5937564251936125,0.6667466246316223,0.7105428860256323
EOS-2-03130,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(F)cc1Cl,SSAYLVPJOPRAPE-UHFFFAOYSA-N,2,1,0.693,23,86,451.26,5.006,4,0.413,0.62,1.0,0.9851620862175313,0.9786255225824139,0.9779573024467137,0.9781115070934138,0.9799641045850181
EOS-2-03131,Cn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3ccc(Br)cc3)n12,MRSCMDYHTABMHO-UHFFFAOYSA-N,2,1,0.443,22,311,451.263,3.55,5,0.39,0.73,1.0,0.15494140223425398,0.4610718936330615,0.2707490919059694,0.42405421150023986,0.3277041498183812
EOS-2-03132,CN(c1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1Cl)C(F)F,LNGXTSSKLGJEMK-UHFFFAOYSA-N,2,1,0.578,90,255,451.264,4.731,4,0.395,0.68,1.0,0.7357275032554315,0.8847919950654513,0.9553063532314441,0.9422417928860256,0.879516911109588
EOS-2-03133,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1,INEHWRZHVALVGH-UHFFFAOYSA-N,2,1,0.455,55,208,451.277,3.924,5,0.371,0.74,1.0,0.5562161606469742,0.7292509080940306,0.5613049139880748,0.635160372832568,0.6204830888904119
EOS-2-03134,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(Cl)n5)n4)n23)cc1,ZXVQQMRAPNXEOT-UHFFFAOYSA-N,2,1,0.529,73,401,451.277,3.924,5,0.371,0.79,1.0,0.7508909601809335,0.9260074703584401,0.5179905421150024,0.6118069357823316,0.7016739771091769
EOS-2-03135,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nn2)cn1,KAPBFAGGRBHHBK-UHFFFAOYSA-N,2,1,0.425,54,565,451.277,3.924,5,0.371,0.72,1.0,0.6782006031115071,0.6865276540333082,0.6094510314577479,0.6873929134397917,0.6653930505105887
EOS-2-03136,Clc1cncc(COc2cncc3nnc(-c4ccnc(-c5cnc(Cl)cn5)c4)n23)c1,HMZMNFGDURYDLI-UHFFFAOYSA-N,2,1,0.483,55,199,451.277,3.924,5,0.396,0.64,1.0,0.7174970872455624,0.6815074360907408,0.6122695497224316,0.6725635665821397,0.6709594099102186
EOS-2-03137,Clc1cncc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cccnc4)nn3)n12,BQVKGMIQBLYTGE-UHFFFAOYSA-N,2,1,0.43,54,980,451.277,3.924,5,0.396,0.74,1.0,0.6271074635049003,0.6233123158111165,0.5715680899184429,0.6845572613254746,0.6266362826399835
EOS-2-03138,Clc1ccc(COc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)ncn4)n23)nc1,ZEXBFEFQIBYDMJ-UHFFFAOYSA-N,2,1,0.457,46,238,451.277,3.924,5,0.371,0.68,0.731,0.4305650743609074,0.5194383524090193,0.5969090535261462,0.6725721335069563,0.5548711534507573
EOS-2-03139,Clc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ncccn5)c4)n23)cn1,KGMLMWXOOVAJRA-UHFFFAOYSA-N,2,1,0.5,73,82,451.277,3.924,5,0.396,0.62,1.0,0.7595007196216846,0.9021228839695703,0.5346275101089712,0.6148481940922487,0.7027748269481188
EOS-2-03140,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)nc4)n23)c(Cl)c1,QMJPGKBLPOZXEJ-UHFFFAOYSA-N,2,1,0.523,73,29,451.277,3.924,5,0.396,0.69,1.0,0.7357360701802481,0.9069203618669043,0.5311322047837708,0.6437701322733191,0.7043896922760606
EOS-2-03141,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnc5)n4)n23)c(Cl)c1,VMZDUKBSJCZCQI-UHFFFAOYSA-N,2,1,0.511,73,817,451.277,3.924,5,0.396,0.65,1.0,0.6840689466109245,0.8929562744157358,0.5613134809128915,0.6580854636419711,0.6991060413953807
EOS-2-03142,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cn5)n4)n23)cc1,GNFJSNJHOIODNP-UHFFFAOYSA-N,2,1,0.562,73,156,451.277,3.924,5,0.396,0.77,1.0,0.7883198547049551,0.9294942087588239,0.44069974641902543,0.5812401480364608,0.6849384894798163
EOS-2-03143,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)n5)nn4)n23)cc1,MGNPZUIIIPUYGA-UHFFFAOYSA-N,2,1,0.568,34,32,451.277,3.924,5,0.371,0.73,1.0,0.7237595092865465,0.9260160372832568,0.41462202727708863,0.5872883969570283,0.66292149270098
EOS-2-03144,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)nc1,MYKLQCKZUYVYGY-UHFFFAOYSA-N,2,1,0.476,51,19,451.277,3.924,5,0.371,0.71,1.0,0.8260228908231101,0.8108165992735248,0.489865327941882,0.5521554382838736,0.6697150640805977
EOS-2-03145,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)nc4)n23)nn1,UGSGZSPTHBEOQR-UHFFFAOYSA-N,2,1,0.466,24,786,451.277,3.924,5,0.371,0.73,1.0,0.5461928586114728,0.6766071550956069,0.4794565142896306,0.5717565622644095,0.56850327256528
EOS-2-03146,Clc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccncc4)n23)nn1,AWDSSXGCIVZRJF-UHFFFAOYSA-N,2,1,0.46,4,208,451.277,3.924,5,0.371,0.71,1.0,0.564705983140292,0.7433606332670825,0.47574703584401346,0.5812487149612775,0.5912655918031664
EOS-2-03147,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)cn5)nn4)n23)cc1,AHTJQQDLAMBQMO-UHFFFAOYSA-N,2,1,0.562,34,32,451.277,3.924,5,0.396,0.7,1.0,0.7328661503666644,0.9260246042080734,0.4443578233157426,0.6176324446576656,0.6802202556370365
EOS-2-03148,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccc5Cl)nc4)n23)nn1,OWTXOZYMQYLJEA-UHFFFAOYSA-N,2,1,0.472,24,617,451.277,3.924,5,0.396,0.73,1.0,0.6186604756356658,0.7155780960866287,0.4654752929888287,0.5749006236721267,0.5936536220958125
EOS-2-03149,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nn5)n4)n23)cc1,UVFJOGHNZDVBTI-UHFFFAOYSA-N,2,1,0.554,4,32,451.277,3.924,5,0.396,0.75,1.0,0.7143787266122953,0.9045387567678707,0.5142724967445685,0.6380559934206017,0.6928114933863341
EOS-2-03150,Clc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cnccn5)c4)n23)ccn1,UONISHBSHHLWTM-UHFFFAOYSA-N,2,1,0.477,55,540,451.277,3.924,5,0.371,0.56,1.0,0.627116030429717,0.7015026386128436,0.6327959015831677,0.6816016722637243,0.6607540607223631
EOS-2-03151,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nn5)n4)n23)cc1,KNALNODERWPYSQ-UHFFFAOYSA-N,2,1,0.554,4,32,451.277,3.924,5,0.396,0.76,1.0,0.7855270372147214,0.9385066136659584,0.4407083133438421,0.5749091905969433,0.6849127887053663
EOS-2-03152,COc1ncc(-c2ccc(Cl)nc2)cc1-c1cncc2nnc(-c3cnc(Cl)nc3)n12,CINXRUBPFRHJQA-UHFFFAOYSA-N,2,1,0.341,82,478,451.277,4.021,5,0.298,0.75,1.0,0.46281097937084503,0.5101518059077513,0.6003015557535467,0.6148567610170653,0.5470302755123021
EOS-2-03153,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)c5)nn4)n23)cc1,FFUBJASUVQRDFM-UHFFFAOYSA-N,2,1,0.556,73,335,451.277,3.924,5,0.396,0.73,1.0,0.7883284216297718,0.9205674730998561,0.5106486875471181,0.669667945994106,0.7223031320677129
EOS-2-03154,Clc1cccc(Cl)c1COc1cncc2nnc(-c3cnc(-c4cncnc4)cn3)n12,GVIIYYUWJNKBHO-UHFFFAOYSA-N,2,1,0.442,46,435,451.277,3.924,5,0.396,0.68,1.0,0.67515934480159,0.6525597971352204,0.6567061887464876,0.7470701117126997,0.6828738605989995
EOS-2-03155,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccnnc5Cl)cn4)n23)c1,OYFWMFGXFIYJKH-UHFFFAOYSA-N,2,1,0.462,46,119,451.277,3.924,5,0.396,0.6,1.0,0.5285021588650538,0.6233208827359331,0.6032571448152971,0.6900743609074087,0.6112886368309232
EOS-2-03156,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5cnnc(Cl)n5)c4)n23)cn1,GRNTZTXEKWUIBG-UHFFFAOYSA-N,2,1,0.494,16,55,451.277,3.924,5,0.371,0.74,1.0,0.7448255774107326,0.6279641559865671,0.6242718113905832,0.6696765129189226,0.6666845144267014
EOS-2-03157,Clc1cncc(COc2cncc3nnc(-c4cnc(-c5ccc(Cl)nc5)cn4)n23)c1,URRUEHFNOXTUDP-UHFFFAOYSA-N,2,1,0.443,55,62,451.277,3.924,5,0.371,0.67,1.0,0.6811390583236242,0.6571688026865876,0.6122781166472483,0.6931927215406758,0.660944674799534
EOS-2-03158,Clc1ccc(-c2nnc3cncc(OCc4nncc(-c5cc(Cl)ccn5)n4)n23)cc1,KSJZEPNAWUSWHR-UHFFFAOYSA-N,2,1,0.556,34,32,451.277,3.924,5,0.396,0.66,1.0,0.7826913851004044,0.9242426838462066,0.4692533068329792,0.6497241450209033,0.7064778802001234
EOS-2-03159,Clc1ncc(-c2nnc3cncc(OCc4cc(-c5ccccn5)ncc4Cl)n23)cn1,XSVFEASCXWFZEU-UHFFFAOYSA-N,2,1,0.449,55,434,451.277,3.924,5,0.371,0.71,1.0,0.7053149201562607,0.7736018778699199,0.5680984853676924,0.6290264546638339,0.6690104345144267
EOS-2-03160,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cnccn5)n4)n23)c(Cl)c1,GNPVEQNUSRRRCC-UHFFFAOYSA-N,2,1,0.523,73,540,451.277,3.924,5,0.396,0.74,1.0,0.6751679117264067,0.902131450894387,0.5000428346240834,0.614865327941882,0.6730518812966898
EOS-2-03161,Clc1nccc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(Cl)c4)n23)n1,XVUCYSNTTZNOEA-UHFFFAOYSA-N,2,1,0.511,4,71,451.277,3.924,5,0.371,0.68,1.0,0.7711688712219862,0.8185011308340758,0.6268418888355836,0.672580700431773,0.7222731478308546
EOS-2-03162,COc1cc(Cl)c(Cl)cc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cn3)n12,TZTBDVVOEDDLFY-UHFFFAOYSA-N,2,1,0.349,50,844,451.277,4.021,5,0.404,0.76,0.998,0.4466451922417929,0.43478856829552465,0.710129531903228,0.7367726680830649,0.5820839901309025
EOS-2-03163,Cc1cc(-c2ccc(Cl)nn2)ccc1Oc1cncc2nnc(-c3ncncc3Cl)n12,ICDKXWJBSGUZPB-UHFFFAOYSA-N,2,1,0.365,13,251,451.277,4.446,5,0.395,0.75,0.981,0.6443355493112193,0.5518041943663903,0.5346360770337879,0.6054074429442807,0.5840458159139196
EOS-2-03164,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)nc1,MGPKUJBKDXIASM-UHFFFAOYSA-N,2,1,0.409,46,181,451.277,3.924,5,0.396,0.66,1.0,0.4560773764649441,0.5059625796724008,0.52445000342677,0.6118155027071482,0.5245763655678158
EOS-2-03165,Clc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccnc5Cl)n34)cn2)cn1,OIITVOKASCMQPS-UHFFFAOYSA-N,2,1,0.455,55,434,451.277,3.924,5,0.293,0.69,1.0,0.785535604139538,0.8224847508738263,0.6242803783154,0.6552669453772874,0.7218919196765129
EOS-2-03166,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nn4)n23)c(Cl)c1,HOEGVZHCUVBORX-UHFFFAOYSA-N,2,1,0.517,4,10,451.277,3.924,5,0.396,0.65,1.0,0.632607429237201,0.859810842300048,0.6268504557604002,0.7152868206428621,0.7086388869851278
EOS-2-03167,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)cn1,WXSYAVXXBZHFOZ-UHFFFAOYSA-N,2,1,0.483,4,525,451.277,3.924,5,0.371,0.72,1.0,0.5077187992598177,0.647436776094853,0.5715766568432595,0.6437786991981358,0.5926277328490166
EOS-2-03168,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)nc1,OQZWMAAEQGVPJK-UHFFFAOYSA-N,2,1,0.531,4,208,451.277,3.924,5,0.396,0.67,1.0,0.7595092865465013,0.7693698170104859,0.4865242272633815,0.5652371324789254,0.6451601158248236
EOS-2-03169,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(Cl)nc5)n4)n23)cc1,JKHIJMQDMMWGDA-UHFFFAOYSA-N,2,1,0.549,73,401,451.277,3.924,5,0.371,0.77,1.0,0.7939654581591392,0.9398516208621753,0.5841272016996779,0.6610067850044548,0.7447377664313618
EOS-2-03170,Clc1cncc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)c1,KBZZBSHNTOVTAP-UHFFFAOYSA-N,2,1,0.409,46,395,451.277,3.924,5,0.371,0.63,0.881,0.6242718113905832,0.5905352614625454,0.6422452196559523,0.709872524158728,0.6417312041669523
EOS-2-03171,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)nn5)c4)n23)nc1,MUYLTJHSTXDUJI-UHFFFAOYSA-N,2,1,0.5,2,875,451.277,3.924,5,0.396,0.63,1.0,0.47012713316427934,0.6093739291343979,0.6003101226783634,0.6725892673565896,0.5881001130834076
EOS-2-03172,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)c(Cl)c1,VISSICACPLCJLK-UHFFFAOYSA-N,2,1,0.543,51,969,451.277,3.924,5,0.396,0.77,1.0,0.6782091700363237,0.8998012473442533,0.6328044685079843,0.7152953875676787,0.7315275683640601
EOS-2-03173,Clc1cncc(COc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)c1Cl,YPBKKIQYMVBZGZ-UHFFFAOYSA-N,2,1,0.459,2,419,451.277,3.924,5,0.396,0.67,1.0,0.6101877869919814,0.6474453430196696,0.7764203961346036,0.8173274621341923,0.7128452470701118
EOS-2-03174,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)nc1,INCZUNLPEAZVFS-UHFFFAOYSA-N,2,1,0.442,51,196,451.277,3.924,5,0.371,0.73,1.0,0.6596018093345213,0.7736104447947365,0.5142810636693852,0.5935251182235625,0.6352546090055514
EOS-2-03175,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,UBNTZGYGPJIRRF-UHFFFAOYSA-N,2,1,0.46,2,419,451.277,3.924,5,0.371,0.66,1.0,0.47281714755671306,0.6142056747309985,0.6154393119045988,0.6900829278322254,0.598136265506134
EOS-2-03176,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)cc1,RPWIWJYUZDTOHN-UHFFFAOYSA-N,2,1,0.458,54,691,451.277,3.924,5,0.396,0.74,0.987,0.6214361592762662,0.6963025152491261,0.43327222260297443,0.590338222191762,0.5853372798300321
EOS-2-03177,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)nn2)cc1,NUGDEINWGXGJEH-UHFFFAOYSA-N,2,1,0.432,54,691,451.277,3.924,5,0.371,0.77,0.997,0.5705486258652595,0.7292594750188472,0.4370074018230416,0.5903467891165787,0.5817905729559317
EOS-2-03178,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cn2)cn1,MVLKWMMWZAIMTC-UHFFFAOYSA-N,2,1,0.449,55,390,451.277,3.924,5,0.293,0.77,1.0,0.5539116578712905,0.7433692001918991,0.6242889452402166,0.6725978342814063,0.6485419093962032
EOS-2-03179,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)cn1,OMXIEPAFRSHTNX-UHFFFAOYSA-N,2,1,0.407,46,565,451.277,3.924,5,0.371,0.59,1.0,0.601715098348297,0.6093824960592146,0.6567147556713042,0.7098810910835447,0.6444233602905901
EOS-2-03180,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncc(Cl)n5)n4)n23)cc1,WJYQPIYLEWIYGF-UHFFFAOYSA-N,2,1,0.536,73,156,451.277,3.924,5,0.396,0.7,1.0,0.8078096086628743,0.9413165650058255,0.44436639024055924,0.5717651291892263,0.6913144232746213
EOS-2-03181,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cnccc5Cl)n34)c2)cn1,ZTYORJFKEGXMJZ-UHFFFAOYSA-N,2,1,0.402,55,511,451.277,3.924,5,0.371,0.72,1.0,0.5647145500651086,0.5751576314166267,0.6921389897882256,0.7746984442464533,0.6516774038791036
EOS-2-03182,Clc1cnc(COc2cncc3nnc(-c4ccnc(-c5cncc(Cl)c5)c4)n23)nc1,TVQBHFRZHYHPBY-UHFFFAOYSA-N,2,1,0.465,51,196,451.277,3.924,5,0.396,0.68,1.0,0.6047135220341306,0.6474539099444864,0.517999109039819,0.6148738948666986,0.5962601089712837
EOS-2-03183,Clc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)nc1,GZDVMWYTCISIBV-UHFFFAOYSA-N,2,1,0.441,46,238,451.277,3.924,5,0.371,0.71,0.933,0.4728257144815297,0.5751661983414433,0.5937649921184291,0.6667551915564389,0.5771280241244603
EOS-2-03184,Clc1ccc(-c2ncccc2-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)nc1,YAHOPXMPIPAMJA-UHFFFAOYSA-N,2,1,0.489,73,94,451.277,3.924,5,0.396,0.65,0.999,0.5436056473168391,0.6914450688780756,0.4443749571653759,0.5489085737783566,0.5570835617846618
EOS-2-03185,Clc1ccc(-c2nnc3cncc(OCc4ncnc(-c5ccc(Cl)nc5)n4)n23)cc1,KVOCLDDRGNEZQO-UHFFFAOYSA-N,2,1,0.58,73,335,451.277,3.924,5,0.371,0.71,1.0,0.8964858474402029,0.9451888150229594,0.48290898499074775,0.6118240696319649,0.7341019292714688
EOS-2-03186,Clc1cc(Cl)nc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)c1,UBNYERFJNKVPQT-UHFFFAOYSA-N,2,1,0.472,55,817,451.277,3.924,5,0.371,0.67,1.0,0.5333767390857378,0.7063001165101775,0.6328130354328011,0.6874014803646084,0.6399728428483312
EOS-2-03187,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccc(Cl)nn5)n4)n23)cc1,RYMZEQNKRUYLJL-UHFFFAOYSA-N,2,1,0.554,34,335,451.277,3.924,5,0.396,0.77,1.0,0.8563755054485642,0.9474333493249263,0.4478702624905764,0.5812572818860942,0.7082340997875403
EOS-2-03188,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)cn5)cn4)n23)cc1,LQEGHOSFBITAHU-UHFFFAOYSA-N,2,1,0.577,73,212,451.277,3.924,5,0.396,0.75,1.0,0.7855441710643547,0.9413251319306422,0.544796449866356,0.6437872661229525,0.7288632547460763
EOS-2-03189,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnn5)n4)n23)c(Cl)c1,PTUJWUHJBWPHMY-UHFFFAOYSA-N,2,1,0.489,34,446,451.277,3.924,5,0.396,0.76,0.989,0.6596103762593379,0.8976595161400863,0.4829175519155644,0.6118326365567816,0.6630050202179426
EOS-2-03190,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,XKUIWSLIPBBXSY-UHFFFAOYSA-N,2,1,0.416,46,565,451.277,3.924,5,0.371,0.67,1.0,0.5676530052772257,0.5857634843396614,0.6812675621958741,0.7496316222328833,0.6460789185114111
EOS-2-03191,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(Cl)nn5)cn4)n23)cc1,IMPKHQBZSFJVIF-UHFFFAOYSA-N,2,1,0.582,34,946,451.277,3.924,5,0.396,0.77,1.0,0.8782811322047838,0.945197381947776,0.5244585703515866,0.6351689397573846,0.7457765060653827
EOS-2-03192,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cncc(Cl)n5)nc4)n23)c1,OJSHQYJAPHPJTG-UHFFFAOYSA-N,2,1,0.466,55,283,451.277,3.924,5,0.396,0.62,1.0,0.7740045233363032,0.7521759989034337,0.596917620450963,0.6610153519292715,0.6960283736549928
EOS-2-03193,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cnn2)cc1,PGFFXKCSDKECLO-UHFFFAOYSA-N,2,1,0.462,4,32,451.277,3.924,5,0.371,0.5,1.0,0.5257179082996367,0.7521845658282503,0.6359313960660681,0.7312298677266809,0.661265934480159
EOS-2-03194,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(Cl)nn5)n4)n23)cc1,ZXOMTYSXDGVDFC-UHFFFAOYSA-N,2,1,0.541,4,32,451.277,3.924,5,0.396,0.77,1.0,0.7479096703447331,0.922375094236173,0.4146305942019053,0.5489171407031732,0.6584581248714962
EOS-2-03195,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)c(Cl)c1,QQCIVPJYXQSZMF-UHFFFAOYSA-N,2,1,0.517,73,817,451.277,3.924,5,0.396,0.58,1.0,0.6534507573161538,0.8796518401754506,0.6453293125899527,0.7178825988623124,0.7240786272359674
EOS-2-03196,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c2)cn1,GCIQCTPVADPUJD-UHFFFAOYSA-N,2,1,0.409,46,157,451.277,3.924,5,0.293,0.72,1.0,0.44195051744225894,0.5377972722911384,0.6213076554040162,0.6816102391885409,0.5706664210814886
EOS-2-03197,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nc5)nn4)n23)cc1,LWDZXPQGXRCNFL-UHFFFAOYSA-N,2,1,0.59,4,32,451.277,3.924,5,0.371,0.75,1.0,0.6840775135357412,0.9223836611609897,0.5035809745733671,0.6437958330477692,0.6884594955794668
EOS-2-03198,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5cnc(Cl)nc5)c4)n23)ccn1,WMYUWUSRQNHJFN-UHFFFAOYSA-N,2,1,0.477,75,441,451.277,3.924,5,0.293,0.65,1.0,0.6811476252484409,0.7246333356178466,0.670284764580906,0.690091494757042,0.691539305051059
EOS-2-03199,Clc1cc(COc2cncc3nnc(-c4ccccc4Cl)n23)nc(-c2cncnn2)c1,HOVSVCCGGICBMA-UHFFFAOYSA-N,2,1,0.5,4,820,451.277,3.924,5,0.396,0.68,1.0,0.5333853060105544,0.6421766842574189,0.5647402508395586,0.6958827359331095,0.6090462442601603
EOS-2-03200,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)cc1Cl,FDNSVDXUIZESLZ-UHFFFAOYSA-N,2,1,0.523,4,391,451.277,3.924,5,0.396,0.71,1.0,0.729936262079364,0.8796604071002673,0.6392724967445685,0.7178911657871291,0.7416900829278322
EOS-2-03201,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c2)cn1,WMCKJFRENZVOLV-UHFFFAOYSA-N,2,1,0.387,46,157,451.277,3.924,5,0.371,0.67,1.0,0.4419590843670756,0.537805839215955,0.5647488177643754,0.6468542252073196,0.5478419916386814
EOS-2-03202,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)cn5)cc4)n23)nc1,VMBFGGXJLYHPNU-UHFFFAOYSA-N,2,1,0.482,51,19,451.277,3.924,5,0.396,0.67,1.0,0.7911212391200055,0.8185096977588925,0.5035895414981838,0.5812658488109108,0.6736215817969982
EOS-2-03203,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cnn2)cn1,YZKIWEYWQQMFNZ-UHFFFAOYSA-N,2,1,0.455,55,565,451.277,3.924,5,0.371,0.47,1.0,0.6131862106778151,0.7063086834349942,0.6921475567130423,0.7496401891576999,0.6903206599958879
EOS-2-03204,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5cccc(Cl)c5)nn4)n23)cc1,DVHURJAQRKSLGV-UHFFFAOYSA-N,2,1,0.616,34,612,451.277,3.924,5,0.396,0.79,1.0,0.852280515386197,0.9684051812761291,0.40071790829963677,0.6351775066822014,0.7141452779110411
EOS-2-03205,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)nc4)n23)cn1,ZEWKLEXCWDFLHV-UHFFFAOYSA-N,2,1,0.444,55,786,451.277,3.924,5,0.371,0.7,1.0,0.5647231169899253,0.6766157220204235,0.5035981084230005,0.577984716606127,0.5807304160098691
EOS-2-03206,Fc1cc(-c2cccc(Cl)c2)ccc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,RTFCKWMKSSIZEI-UHFFFAOYSA-N,2,1,0.566,83,163,451.288,6.697,5,0.305,0.84,1.0,0.9531217874031938,0.9860187786991982,0.9840569529161812,0.9939945857035158,0.9792980261805222
EOS-2-03207,Fc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1ccc(Cl)cc1,QHJPOHKICRKXTA-UHFFFAOYSA-N,2,1,0.667,83,163,451.288,6.697,5,0.305,0.83,1.0,0.9432783907888425,0.9762096497841135,0.9833630320060311,0.9943201288465492,0.9742928003563841
EOS-2-03208,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cc2)cc1,FGNHFLNTQHKURT-UHFFFAOYSA-N,2,1,0.592,83,163,451.288,6.697,5,0.305,0.83,1.0,0.9354139538071414,0.9767322321979303,0.9825834418477143,0.9935319717634158,0.9720653999040505
EOS-2-03209,Fc1cc(-c2ccc(Cl)cc2)ccc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,NJHPQDJUNFXNBF-UHFFFAOYSA-N,2,1,0.583,83,163,451.288,6.697,5,0.305,0.82,1.0,0.9585874854362278,0.9881005414296484,0.984990747721198,0.9944143650195326,0.9815232849016517
EOS-2-03210,Fc1ccc(Oc2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,KDZRLTKGODSMSL-UHFFFAOYSA-N,2,1,0.441,83,533,451.288,6.697,5,0.305,0.8,1.0,0.6562864094304708,0.9089078884243712,0.9817867178397642,0.9933177986429991,0.8850747035844013
EOS-2-03211,Cc1ccc(Cl)c(-c2nnc3cncc(-c4cccnc4-c4cc(Cl)ccc4F)n23)n1,GDQIEYWJRQEZQN-UHFFFAOYSA-N,2,1,0.321,45,46,451.292,5.67,5,0.354,0.69,0.994,0.272642382290453,0.4210986224384895,0.8550476321019806,0.9219553149201563,0.6176859879377699
EOS-2-03212,Cc1cc(-c2nnc3cncc(-c4c(F)cc(-c5cncnc5)cc4Cl)n23)ccc1Cl,CWLYXLWRRHLRDL-UHFFFAOYSA-N,2,1,0.342,45,575,451.292,5.67,5,0.354,0.84,0.989,0.3652594064834487,0.6142142416558152,0.9654410252895621,0.9781200740182304,0.730758686861764
EOS-2-03213,Cc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n(-c2ccccc2Cl)n1,ZBTBCGVRZBYFAF-UHFFFAOYSA-N,2,1,0.561,34,372,451.317,5.171,5,0.369,0.77,1.0,0.5731529710095264,0.7865036666438215,0.7232112260982798,0.8192721540675759,0.7255350044548009
EOS-2-03214,Cn1ncc(-c2nnc3cncc(OCc4ccc(Cl)cc4Cl)n23)c1-c1ccccc1,XTPBPVIRPBPEON-UHFFFAOYSA-N,2,1,0.524,43,521,451.317,5.078,5,0.373,0.74,1.0,0.47283428140634637,0.5804262901788774,0.7916352546090055,0.8669385237475156,0.6779585874854361
EOS-2-03215,Cn1c(Cl)ccc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c1,IAXYDINCXWOKOG-UHFFFAOYSA-N,2,1,0.518,43,992,451.317,5.078,5,0.349,0.73,1.0,0.6720409841683229,0.6190973888013159,0.8886471112329518,0.8968799259817696,0.7691663525460901
EOS-2-03216,COc1cc(Cl)c(Cl)cc1-c1nnc2cncc(-c3ccc(-c4ccn(C)n4)cc3)n12,WGTYTOBTSRAEBX-UHFFFAOYSA-N,2,1,0.375,96,697,451.317,5.174,5,0.377,0.77,1.0,0.32513193064217666,0.4255191556438901,0.8789921869645672,0.8733551504351997,0.6257496059214585
EOS-2-03217,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cc2)cn1,RTXUBEKDAOCMBZ-UHFFFAOYSA-N,2,1,0.6,43,96,451.317,5.171,5,0.369,0.76,1.0,0.7797186621890206,0.7988486053046399,0.9059694332122541,0.9029881433760537,0.8468812110204922
EOS-2-03218,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5c(Cl)cccc5Cl)n34)c2)cn1,TUZMOASBUBRFAV-UHFFFAOYSA-N,2,1,0.531,43,623,451.317,5.078,5,0.373,0.78,1.0,0.5618103625522582,0.637636214104585,0.8946353916798027,0.9122489891028717,0.7515827393598793
EOS-2-03219,COc1cc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)cn4C)n23)ccc1Cl,YPLKDNOJOFCOMJ-UHFFFAOYSA-N,2,1,0.372,96,46,451.317,5.174,5,0.377,0.82,0.994,0.310114111438558,0.5470838187924063,0.8023096429305736,0.8486053046398465,0.627028219450346
EOS-2-03220,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5Cl)n34)cc2)n[nH]1,LQWBKRCEPCJQPZ-UHFFFAOYSA-N,2,1,0.548,43,178,451.317,5.376,5,0.388,0.74,1.0,0.9341631827839079,0.8954064149133028,0.898207799328353,0.9099359194023713,0.9094283291069838
EOS-2-03221,CCn1cncc1-c1cccc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)c1,BHFNWNPZUSXPET-UHFFFAOYSA-N,2,1,0.583,13,15,451.317,5.774,5,0.339,0.75,1.0,0.6503495305325201,0.6668922623535056,0.8711448838324994,0.889880748406552,0.7695668562812693
EOS-2-03222,Clc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,SEPQNTCOHGVDHE-UHFFFAOYSA-N,2,1,0.571,91,273,451.317,5.11,5,0.388,0.71,1.0,0.9585960523610445,0.9630337194160784,0.8776471797683504,0.9099444863271879,0.9273053594681653
EOS-2-03223,Cc1c(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cc4)n23)ccc(Cl)c1Cl,WIKGTJHBVWNAPE-UHFFFAOYSA-N,2,1,0.524,13,374,451.317,5.599,5,0.356,0.79,1.0,0.6326159961620177,0.7340826536906312,0.8522462476869302,0.8604704955109314,0.7698538482626276
EOS-2-03224,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1Cl,YAZKXZUNIFAOBH-UHFFFAOYSA-N,2,1,0.727,91,273,451.317,5.11,5,0.388,0.74,1.0,0.967505654170379,0.9612175313549448,0.8909687478582689,0.9122575560276883,0.9329873723528201
EOS-2-03225,Cn1nc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)cc1-c1ccc(Cl)cc1,BWOHMBMWLZTIAR-UHFFFAOYSA-N,2,1,0.575,43,266,451.317,5.078,5,0.373,0.81,1.0,0.5231820985539031,0.595135700089096,0.8083921595504078,0.8802429579878007,0.7017382290453019
EOS-2-03226,Cn1nc(-c2cccc(Cl)c2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,OFRCBOCXEWXHMA-UHFFFAOYSA-N,2,1,0.562,34,372,451.317,5.078,5,0.373,0.77,1.0,0.7357446371050648,0.8929648413405524,0.7895192241792885,0.8622010143238983,0.820107429237201
EOS-2-03227,Clc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)c1,CXODPNKYYRAVOT-UHFFFAOYSA-N,2,1,0.578,91,273,451.317,5.11,5,0.388,0.7,1.0,0.9475618531971763,0.9595641148653279,0.904864299910904,0.9302994996915908,0.9355724419162497
EOS-2-03228,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccc(Cl)cc2)n1,KOUGPGGVZISMCX-UHFFFAOYSA-N,2,1,0.658,43,372,451.317,5.078,5,0.373,0.78,1.0,0.6871444726201082,0.8740319374957165,0.8105767253786581,0.8733637173600165,0.8112792132136248
EOS-2-03229,Cn1cnc(-c2ccccc2Cl)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ZHVSFZDHALOMIW-UHFFFAOYSA-N,2,1,0.562,34,372,451.317,5.078,5,0.373,0.69,1.0,0.7883369885545884,0.8536255225824139,0.7461791515317662,0.8412291823726955,0.807342711260366
EOS-2-03230,Cn1nc(-c2ccc(Cl)cc2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,RCGYFIYQEAVROI-UHFFFAOYSA-N,2,1,0.6,34,372,451.317,5.078,5,0.373,0.75,1.0,0.7417928860256322,0.9045473236926873,0.8023182098553903,0.8669470906723322,0.8289013775615106
EOS-2-03231,Clc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cn[nH]c4)cc3)n12,COMQGIBYFOBLFV-UHFFFAOYSA-N,2,1,0.595,91,803,451.317,5.11,5,0.388,0.63,1.0,0.957859296826811,0.9557775340963608,0.8898464807072853,0.9219638818449729,0.9313617983688576
EOS-2-03232,COc1ncc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)c(F)c4)n23)cc1F,PKTHSOMUEYVMFL-UHFFFAOYSA-N,2,1,0.446,13,374,451.368,3.862,5,0.397,0.63,0.999,0.8358063189637448,0.8654564457542321,0.8105852923034748,0.7367812350078816,0.8121573230073333
EOS-2-03233,Fc1ccc(Oc2cnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nn2)cc1,JLCWMQUPLSUGGQ-UHFFFAOYSA-N,2,1,0.549,34,612,451.368,3.765,5,0.385,0.76,1.0,0.9578678637516277,0.9516225755602769,0.7695240216571859,0.7863580289219382,0.8663431224727571
EOS-2-03234,O=c1[nH]c(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)ncc1F,FYMDAFYLVNWTCM-UHFFFAOYSA-N,2,1,0.456,97,919,451.368,2.933,5,0.409,0.62,1.0,0.6160047289424988,0.5701802480981427,0.7895277911041053,0.80008224247824,0.6939487526557467
EOS-2-03235,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(F)c5F)n34)cc2F)n[nH]1,YWLANYJRHQCCMF-UHFFFAOYSA-N,2,1,0.468,59,526,451.368,2.933,5,0.437,0.62,0.999,0.6720495510931396,0.6621290521554383,0.8197176341580427,0.8131725035981084,0.7417671852511822
EOS-2-03236,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3ncnc(-c4ncccn4)n3)n12,SRJVKMGADYRCTI-UHFFFAOYSA-N,2,1,0.451,73,242,451.372,3.089,5,0.384,0.66,0.999,0.8587228428483311,0.8901206223014186,0.527979576451237,0.5124734425330684,0.6973241210335138
EOS-2-03237,COc1nc(C(F)(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4cncnn4)nc3)n12,OOZIKDXKTQVXLC-UHFFFAOYSA-N,2,1,0.33,50,243,451.372,3.128,5,0.406,0.61,0.926,0.5676615722020424,0.547092385717223,0.7718627921321363,0.565245699403742,0.6129656123637859
EOS-2-03238,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)cn4)n23)cc1,OFTDQOPGYBZIOK-UHFFFAOYSA-N,2,1,0.483,27,343,451.372,3.031,5,0.397,0.68,1.0,0.8406037968610788,0.7246419025426633,0.8752227400452334,0.772333972997053,0.8032006031115071
EOS-2-03239,Fc1cnnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)n1,DOLKUDKFQUFLBB-UHFFFAOYSA-N,2,1,0.518,27,69,451.372,3.089,5,0.384,0.67,1.0,0.6414570625728189,0.7736190117195532,0.6213162223288329,0.5358525803577547,0.64306121924474
EOS-2-03240,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cnn2)cn1,IXJIVARCYOVEAS-UHFFFAOYSA-N,2,1,0.442,55,69,451.372,3.089,5,0.384,0.57,0.373,0.7883455554794051,0.8031577684874237,0.6865533548077583,0.5963864711123296,0.7186107874717291
EOS-2-03241,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)nn2)cn1,IBGWPKMIURJTDW-UHFFFAOYSA-N,2,1,0.44,53,52,451.372,3.031,5,0.397,0.7,1.0,0.5647316839147419,0.580434857103694,0.7533582345281338,0.5935336851483791,0.6230146151737372
EOS-2-03242,COc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)nn1,OGUMAVUVJIMZHD-UHFFFAOYSA-N,2,1,0.38,22,542,451.372,3.128,5,0.406,0.72,0.957,0.6840860804605579,0.6963110821739429,0.7916438215338222,0.6667637584812556,0.7097011856623946
EOS-2-03243,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cn1,GPIBTGCIIFATSG-UHFFFAOYSA-N,2,1,0.535,7,535,451.372,3.031,5,0.397,0.65,1.0,0.7448341443355493,0.7693783839353026,0.8326108560071277,0.6497327119457199,0.7491390240559249
EOS-2-03244,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cc(-c4cncnc4)ncn3)n12,FZDGEAWGNNLVFT-UHFFFAOYSA-N,2,1,0.438,27,354,451.372,3.089,5,0.359,0.54,0.998,0.6628229730655884,0.7945994105955726,0.6921561236378589,0.5812744157357275,0.6827132307586867
EOS-2-03245,FC(F)(F)c1ncncc1COc1cncc2nnc(-c3cc(-c4cccnc4)ncn3)n12,QXISYULCZJXSIH-UHFFFAOYSA-N,2,1,0.381,46,395,451.372,3.031,5,0.397,0.62,0.993,0.762687615653485,0.5951442670139127,0.7695325885820026,0.5993077924748133,0.6816680659310534
EOS-2-03246,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5F)c(F)c4)n23)c1,HTCJAKQTNTXMAX-UHFFFAOYSA-N,2,1,0.59,57,13,451.383,4.989,5,0.353,0.69,1.0,0.9670344733054622,0.9484699472277431,0.9831145911863477,0.9841169213898979,0.9706839832773628
EOS-2-03247,Fc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)c1,JEKIFGXOJQSSAM-UHFFFAOYSA-N,2,1,0.542,59,13,451.383,4.989,5,0.353,0.67,1.0,0.9045216229182372,0.9186227811664724,0.9867983688575149,0.9884003837982318,0.9495857891851142
EOS-2-03248,Fc1ccnc(COc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)c(F)c5)c4)n23)c1,BVQILVZOPWTCPL-UHFFFAOYSA-N,2,1,0.585,57,13,451.383,4.989,5,0.353,0.71,1.0,0.9341717497087245,0.9557861010211774,0.9817952847645809,0.9838170790213145,0.9638925536289493
EOS-2-03249,Fc1ccc(-c2cnccc2COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1F,XAPXEPDNVAEGNX-UHFFFAOYSA-N,2,1,0.605,59,13,451.383,4.989,5,0.353,0.72,1.0,0.9780943732437805,0.9676170241929957,0.9872695497224316,0.987492289767665,0.9801183092317182
EOS-2-03250,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)n5)c4)n23)c1,LONRRAQNOUSLMA-UHFFFAOYSA-N,2,1,0.517,57,962,451.383,4.989,5,0.278,0.76,1.0,0.9384038105681585,0.9223922280858063,0.9776574600781304,0.9773404838599137,0.9539484956480022
EOS-2-03251,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)nc1F,RZUGTFLWZWAGLN-UHFFFAOYSA-N,2,1,0.506,57,962,451.383,4.989,5,0.278,0.8,1.0,0.9364077170858749,0.922400795010623,0.9748732095127133,0.9740165170310465,0.9519245596600644
EOS-2-03252,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)c2)cc1F,CUXCMEQLOJPGEB-UHFFFAOYSA-N,2,1,0.573,57,80,451.383,4.989,5,0.353,0.71,1.0,0.8383678294839284,0.8929734082653691,0.9810927969296142,0.9817267493660475,0.9235401960112398
EOS-2-03253,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4cccnc4F)cc3)n12,HCPGSBNODSPPQF-UHFFFAOYSA-N,2,1,0.427,83,558,451.383,5.4,5,0.265,0.75,1.0,0.6900572270577754,0.9295027756836406,0.9882033445274484,0.9877749982866151,0.8988845863888698
EOS-2-03254,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cc1F,LWFQZJNHOHMWSS-UHFFFAOYSA-N,2,1,0.524,59,13,451.383,4.989,5,0.353,0.73,1.0,0.9107583441847714,0.9150161058186553,0.9870468096771983,0.9877835652114317,0.9501512062230142
EOS-2-03255,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)c(F)c4)n23)c1,HZSYYANKVKLWKT-UHFFFAOYSA-N,2,1,0.59,57,13,451.383,4.989,5,0.353,0.67,1.0,0.9766722637242136,0.9527448427112604,0.9852734562401481,0.9856675347817148,0.9750895243643342
EOS-2-03256,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)cc1F,OQRBIFVCGOFPLK-UHFFFAOYSA-N,2,1,0.524,59,13,451.383,4.989,5,0.353,0.7,1.0,0.915178877390172,0.9109039819066548,0.9849993146460146,0.9865070934137482,0.9493973168391474
EOS-2-03257,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)cc1F,WYNVHDQGDAMZSY-UHFFFAOYSA-N,2,1,0.676,59,13,451.383,4.989,5,0.353,0.72,1.0,0.9364162840106915,0.9370930710712083,0.9880491398807484,0.9889315331368652,0.9626225070248784
EOS-2-03258,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c(F)c2)ccn1,YHPQMDQZKCLVSH-UHFFFAOYSA-N,2,1,0.658,57,13,451.383,4.989,5,0.278,0.71,1.0,0.9617658145432115,0.9729199506545131,0.9861815502707149,0.9856761017065314,0.9766358542937428
EOS-2-03259,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)n5)c4)n23)cc1F,YCKDQTLAURRDKE-UHFFFAOYSA-N,2,1,0.667,57,11,451.383,4.989,5,0.278,0.77,1.0,0.968019669659379,0.9495665136042766,0.9800047974778974,0.9781286409430471,0.96892990542115
EOS-2-03260,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)cc2)c1,FIXHHFNLXYXHFH-UHFFFAOYSA-N,2,1,0.422,96,558,451.383,5.4,5,0.335,0.73,1.0,0.7019909533273936,0.9295113426084572,0.9890086354602152,0.9904735796038654,0.9027461277499829
EOS-2-03261,Fc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1F,QLCZZJVBNLIEAP-UHFFFAOYSA-N,2,1,0.467,96,533,451.383,5.861,5,0.313,0.78,1.0,0.6991724350627099,0.887482009457885,0.9876122267150983,0.9838256459461312,0.889523079295456
EOS-2-03262,Fc1ccc(OC(F)(F)F)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1,KHVTYYKGIQTRJD-UHFFFAOYSA-N,2,1,0.34,96,616,451.383,5.558,5,0.335,0.77,0.998,0.5961637310670962,0.782237338085121,0.9904393119045988,0.9867641011582482,0.838901120553766
EOS-2-03263,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cnc2F)cc1,CDNNCTRHYIMBOO-UHFFFAOYSA-N,2,1,0.636,57,13,451.383,4.989,5,0.278,0.71,1.0,0.9796364197107806,0.9729285175793297,0.9837999451716811,0.9838342128709479,0.9800497738331848
EOS-2-03264,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cc2F)cn1,OPKCANFXLAVRSC-UHFFFAOYSA-N,2,1,0.667,57,13,451.383,4.989,5,0.278,0.77,1.0,0.9870211089027483,0.9762182167089302,0.9868926050304982,0.9865156603385649,0.9841618977451854
EOS-2-03265,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)ncc2F)c1,CCKONOONOZHQIS-UHFFFAOYSA-N,2,1,0.566,57,13,451.383,4.989,5,0.353,0.75,1.0,0.9374014803646084,0.9575166198341444,0.979473648139264,0.9817353162908642,0.9640317661572202
EOS-2-03266,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(F)c5)c4)n23)c(F)c1,RDQQWBQQUATPCG-UHFFFAOYSA-N,2,1,0.561,57,146,451.383,4.989,5,0.278,0.76,1.0,0.9539099444863272,0.9612260982797615,0.9845281337810979,0.9847680076759646,0.9711080460557878
EOS-2-03267,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5F)cc4)n23)c1,PWGWBFNCAPTDCV-UHFFFAOYSA-N,2,1,0.568,57,962,451.383,4.989,5,0.353,0.68,1.0,0.9675142210951957,0.9516311424850935,0.9861901171955315,0.9862158179699815,0.9728878246864506
EOS-2-03268,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncccc5F)n34)ccc2F)cc1F,PBLGTPKVKCTAFE-UHFFFAOYSA-N,2,1,0.554,57,13,451.383,4.989,5,0.353,0.74,1.0,0.9331094510314577,0.9474419162497429,0.977666027002947,0.980116167500514,0.9595833904461655
EOS-2-03269,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccc5F)n4)n23)c(F)c1,KJKBMBYCXGOOFU-UHFFFAOYSA-N,2,1,0.56,57,146,451.383,4.989,5,0.353,0.74,1.0,0.9060294016859708,0.9341203481598246,0.9606949489411281,0.9666489616887122,0.941873415118909
EOS-2-03270,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2F)nc1,WFEOPZSHIOJEME-UHFFFAOYSA-N,2,1,0.703,57,13,451.383,4.989,5,0.353,0.77,1.0,0.9890172023850319,0.9723888013158797,0.9828404495922144,0.982849016517031,0.9817738674525393
EOS-2-03271,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2F)cn1,KMMIIKVNYYOGFP-UHFFFAOYSA-N,2,1,0.722,57,13,451.383,4.989,5,0.278,0.74,1.0,0.9880148721814818,0.9736310054142965,0.9869011719553149,0.9865242272633815,0.9837678192036187
EOS-2-03272,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)cc1F,XWCSSAYGRHPIAB-UHFFFAOYSA-N,2,1,0.471,57,560,451.383,4.989,5,0.353,0.74,1.0,0.8741861421424165,0.836860050716195,0.9797477897333973,0.982566307998081,0.9183400726475225
EOS-2-03273,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccn2)cc1F,OWJMTWJJEGRHCX-UHFFFAOYSA-N,2,1,0.554,59,13,451.383,4.989,5,0.353,0.73,1.0,0.9680282365841958,0.937101637996025,0.9847423069015147,0.9845538345555479,0.9686065040093208
EOS-2-03274,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)ccc1C(F)(F)F,NWTQBBGQOAEEDQ-UHFFFAOYSA-N,2,1,0.506,1,528,451.383,5.804,5,0.323,0.81,1.0,0.97485607566308,0.9654581591391954,0.9934548694400658,0.9862243848947981,0.9799983722842848
EOS-2-03275,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)cc4)n23)cc1F,ZRCCEVOCPBBOPA-UHFFFAOYSA-N,2,1,0.726,57,13,451.383,4.989,5,0.278,0.77,1.0,0.9897539579192653,0.9794822150640806,0.9814183400726475,0.9791052703721472,0.9824399458570352
EOS-2-03276,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cc1,BTPMSUMRGPZJHC-UHFFFAOYSA-N,2,1,0.512,57,560,451.383,4.989,5,0.278,0.81,1.0,0.8929734082653691,0.8628521006099651,0.9818038516893975,0.9825748749228976,0.9300510588719073
EOS-2-03277,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)cc1F,NASLCGKOZBUHDG-UHFFFAOYSA-N,2,1,0.61,59,13,451.383,4.989,5,0.353,0.77,1.0,0.89960420807347,0.8740405044205332,0.9845367007059146,0.9853505585634981,0.935882992940854
EOS-2-03278,Cc1ncc(-c2cc(-c3nnc4cncc(-c5ccc(C(F)(F)F)nc5)n34)ccn2)cc1F,GJMOYYLVSVOTTG-UHFFFAOYSA-N,2,1,0.412,82,243,451.387,4.777,5,0.368,0.75,1.0,0.3926735658967857,0.5701888150229594,0.9731855253238297,0.9328353094373244,0.7172208039202248
EOS-2-03279,COc1nc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1-c1ccon1,ZYXLDUZTJLJHDC-UHFFFAOYSA-N,2,1,0.448,49,501,451.393,3.145,5,0.368,0.6,0.989,0.610196353916798,0.42110718936330616,0.4332807895277911,0.3539681995750805,0.45463813309574397
EOS-2-03280,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)no1,IKCRMUVPVDDRAX-UHFFFAOYSA-N,2,1,0.658,27,996,451.393,3.725,5,0.365,0.69,1.0,0.8358148858885615,0.7015112055376602,0.6328216023576178,0.5291703790007539,0.6748295181961483
EOS-2-03281,COc1cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1-c1ncon1,YMDOPKLCGXQXGV-UHFFFAOYSA-N,2,1,0.516,15,467,451.393,3.145,5,0.368,0.63,1.0,0.8234356795284764,0.6328301692824344,0.5681070522925091,0.46209992461106164,0.6216182064286204
EOS-2-03282,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1-c1ncon1,DLNWQTRNKBLGLV-UHFFFAOYSA-N,2,1,0.463,49,896,451.393,3.145,5,0.368,0.58,1.0,0.7357532040298814,0.5059711465972174,0.44787882941539303,0.39878178329106984,0.5220962408333905
EOS-2-03283,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1nc(C)no1,UKEXNMWNVCTPNK-UHFFFAOYSA-N,2,1,0.478,16,248,451.393,3.411,5,0.383,0.67,1.0,0.7208039202247961,0.5612449455143582,0.5613220478377082,0.4240627784250565,0.5668584230004797
EOS-2-03284,COc1nc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1-c1cocn1,RASVPUKNTJQSRA-UHFFFAOYSA-N,2,1,0.448,49,501,451.393,3.145,5,0.368,0.64,0.989,0.6659070659995888,0.44788739634020974,0.44071688026865874,0.35087553971626345,0.4763467205811802
EOS-2-03285,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1-c1ncco1,WFICPXLZIWNEGI-UHFFFAOYSA-N,2,1,0.454,49,501,451.393,3.145,5,0.344,0.56,0.871,0.714387293537112,0.46975018847234595,0.3370228222877116,0.25843842094441777,0.4448996813103968
EOS-2-03286,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(OC(F)F)cn4)n23)cn1,DMPWAXVTXDDUBQ-UHFFFAOYSA-N,2,1,0.557,92,185,451.397,2.557,5,0.368,0.65,1.0,0.5077273661846343,0.5563617983688575,0.4654838599136454,0.37690185730930026,0.47661872044410936
EOS-2-03287,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)nn1,KRKQJBSVSNCKJP-UHFFFAOYSA-N,2,1,0.6,27,408,451.397,2.557,5,0.368,0.72,1.0,0.32250188472345964,0.43907203070385853,0.48987389486669863,0.42407134534987323,0.41887978891097255
EOS-2-03288,Cn1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)n1,GGGVRJKDBKQMGC-UHFFFAOYSA-N,2,1,0.598,36,996,451.397,2.557,5,0.368,0.73,1.0,0.5384654924268385,0.6376447810294017,0.4293914056610239,0.357232197930231,0.4906834692618738
EOS-2-03289,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,MEMWSAKVRBTJEX-UHFFFAOYSA-N,2,1,0.667,36,895,451.397,2.557,5,0.368,0.78,1.0,0.6160132958673155,0.5905438283873621,0.4654924268384621,0.4240799122746899,0.5240323658419574
EOS-2-03290,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,DSPJYHTZORKJTO-UHFFFAOYSA-N,2,1,0.59,36,996,451.397,2.557,5,0.368,0.76,1.0,0.5813600849838941,0.6328387362072511,0.3708621753135494,0.33485539030909467,0.47997909670344735
EOS-2-03291,FC(F)Oc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)n1,FZXGDFIQUNBUKM-UHFFFAOYSA-N,2,1,0.568,15,499,451.397,2.589,5,0.378,0.69,1.0,0.8234442464532932,0.7387687615653485,0.49306935782331573,0.4115122335686382,0.6166986498526489
EOS-2-03292,FC(F)OCn1nnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)n1,IIYYWYOONNFIJK-UHFFFAOYSA-N,2,1,0.451,36,447,451.397,2.616,5,0.351,0.67,0.733,0.32251045164827635,0.4478959632650264,0.31887807552600916,0.3606589678568981,0.3624858645740525
EOS-2-03293,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC(F)F)cn5)n34)cc2)n1,ADXKRRYAGOVIET-UHFFFAOYSA-N,2,1,0.671,36,447,451.397,2.557,5,0.368,0.7,1.0,0.4347457336714413,0.5422435062709889,0.49647042697553284,0.40465869371530394,0.46952959015831675
EOS-2-03294,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)nn2)cn1,JECPBYFDXNDMHT-UHFFFAOYSA-N,2,1,0.388,53,44,451.397,1.689,5,0.393,0.62,0.966,0.38608560071276815,0.18621924473990817,0.2602203413062847,0.2703550133644027,0.27572005003084094
EOS-2-03295,Cn1nc(-c2ncccn2)nc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,KSGYEPZSXUBNQU-UHFFFAOYSA-N,2,1,0.616,36,996,451.397,2.557,5,0.368,0.7,1.0,0.5539202247961071,0.6328473031320677,0.2032674251250771,0.21171441299431157,0.40043734151189087
EOS-2-03296,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cn5)n34)nn2)n1,DMZKSDQMHDFGST-UHFFFAOYSA-N,2,1,0.446,53,587,451.397,2.557,5,0.368,0.67,1.0,0.3860941676375848,0.4390805976286752,0.4443835240901926,0.3539767664998972,0.40588376396408743
EOS-2-03297,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(C(F)F)c(F)c3)n12,DTOGISISUKRYSQ-UHFFFAOYSA-N,2,1,0.506,1,138,451.408,5.41,5,0.344,0.72,1.0,0.8819392091015009,0.8108251661983414,0.9048728668357207,0.8746744568569667,0.8680779247481324
EOS-2-03298,CCOc1cc(C(F)(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,RPNXNKBYGHJXKF-UHFFFAOYSA-N,2,1,0.388,96,697,451.408,5.531,5,0.35,0.7,1.0,0.6214447262010828,0.6669008292783223,0.9852820231649647,0.9542697553286272,0.8069743334932493
EOS-2-03299,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)cc2)o1,HWCARBDGGCUSSJ-UHFFFAOYSA-N,2,1,0.577,1,138,451.408,5.353,5,0.358,0.72,1.0,0.9685422520731958,0.8874905763827017,0.9860187786991982,0.9517939140566103,0.9484613803029265
EOS-2-03300,Cc1onc(-c2ccccc2F)c1COc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,PACRZDJYCZLSOQ-UHFFFAOYSA-N,2,1,0.542,1,138,451.408,5.41,5,0.344,0.79,1.0,0.8964944143650195,0.8769875265574669,0.9107669111095881,0.8926478651223357,0.8942241792886025
EOS-2-03301,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,UJBUXWVESWBVSY-UHFFFAOYSA-N,2,1,0.556,1,138,451.408,5.353,5,0.358,0.77,1.0,0.9432869577136591,0.8185182646837091,0.9539013775615105,0.9087194160784045,0.9061065040093208
EOS-2-03302,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)nn1,GGRFMLDWKZVKHN-UHFFFAOYSA-N,2,1,0.441,71,614,451.41,2.062,6,0.364,0.61,1.0,0.44907819888972655,0.27000376944691934,0.12428894524021657,0.11447124940031526,0.23946054074429443
EOS-2-03303,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncon6)nn5)n34)cc2)cn1,PQXZJWDHYJBOOX-UHFFFAOYSA-N,2,1,0.444,56,8,451.41,2.062,6,0.364,0.66,1.0,0.37912925776163386,0.3453070385854294,0.07199643615927627,0.0819426358714276,0.21959384209444177
EOS-2-03304,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6nnco6)nn5)n34)cc2)cn1,LZMHHLWZGLKDHT-UHFFFAOYSA-N,2,1,0.432,71,614,451.41,2.062,6,0.364,0.59,1.0,0.4490867658145432,0.34017545062024535,0.06366081831265849,0.06904084709752588,0.23049097046124323
EOS-2-03305,c1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)nn1,UCACRFRMUCLHIQ-UHFFFAOYSA-N,2,1,0.426,71,117,451.41,2.062,6,0.364,0.64,1.0,0.4325440339935577,0.31114214241655813,0.12697039270783358,0.11447981632513193,0.24628409636077034
EOS-2-03306,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cn2)cn1,XRQNAZIBZSFYIG-UHFFFAOYSA-N,2,1,0.413,80,277,451.41,2.062,6,0.364,0.57,1.0,0.3837896648619012,0.270012336371736,0.08793948324309506,0.07281886094167637,0.20364008635460215
EOS-2-03307,c1cnnc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)c1,FNWFSKNHSSUORJ-UHFFFAOYSA-N,2,1,0.446,71,117,451.41,2.062,6,0.364,0.68,1.0,0.4677455280652457,0.35479062435748066,0.07200500308409294,0.07481495442395998,0.24233902748269484
EOS-2-03308,c1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)n2)cn1,AMDSAFVAPWNVFT-UHFFFAOYSA-N,2,1,0.415,80,277,451.41,2.062,6,0.364,0.58,1.0,0.35606709615516413,0.2802069769035707,0.08057192790076075,0.07082276745939278,0.19691719210472208
EOS-2-03309,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6nnco6)c5)n34)cn2)cn1,IIEKIEUHSDKILQ-UHFFFAOYSA-N,2,1,0.429,6,277,451.41,2.062,6,0.364,0.57,0.998,0.47529298882873006,0.30094750188472347,0.11012781851826468,0.09686621890206291,0.24580863203344527
EOS-2-03310,c1cnc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6ncco6)cn5)n34)n2)nc1,KZFXICNJGHEUCS-UHFFFAOYSA-N,2,1,0.424,80,34,451.41,2.062,6,0.364,0.6,1.0,0.3375625385511617,0.19955794667945995,0.03239154273182099,0.027936741827153725,0.1493621924473991
EOS-2-03311,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccnn6)o5)n34)nc2)c1,ABWCWVNPQWQNBB-UHFFFAOYSA-N,2,1,0.422,71,826,451.41,2.062,6,0.364,0.66,1.0,0.2806867246933041,0.22417072167774654,0.04343430882050579,0.04565314234802276,0.1484862243848948
EOS-2-03312,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)ccc1F,ZCLVTBCSSFXGHW-UHFFFAOYSA-N,2,1,0.617,88,70,451.412,3.626,5,0.392,0.65,1.0,0.805033925022274,0.8368686176410116,0.842377150298129,0.8430882050579124,0.8318419745048317
EOS-2-03313,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1F,OHTUPBXHYIJZAR-UHFFFAOYSA-N,2,1,0.565,88,70,451.412,3.626,5,0.392,0.62,1.0,0.8152971009526421,0.8566239462682476,0.8488537454595299,0.8503358234528133,0.8427776540333082
EOS-2-03314,Cn1cncc1-c1nc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)ccc1F,FIKRYOCPTYCKCQ-UHFFFAOYSA-N,2,1,0.489,27,51,451.412,4.243,5,0.384,0.72,1.0,0.7740130902611199,0.7340912206154478,0.877655746693167,0.8231701048591598,0.8022325406072236
EOS-2-03315,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)cc1,ZKNUNPBPZQOMMH-UHFFFAOYSA-N,2,1,0.6,43,138,451.412,4.185,5,0.399,0.75,1.0,0.8761993694743335,0.7246504694674799,0.9586645877595779,0.9029967103008704,0.8656277842505655
EOS-2-03316,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)c1,OUNXORHDTTZBPH-UHFFFAOYSA-N,2,1,0.575,15,519,451.412,4.206,5,0.369,0.64,1.0,0.6930299499691591,0.7778853402782537,0.8612243848947981,0.8085891988211912,0.7851822184908506
EOS-2-03317,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cc1,GQWOZEVQDDIQME-UHFFFAOYSA-N,2,1,0.553,27,343,451.412,4.185,5,0.399,0.73,1.0,0.6562949763552876,0.652568364060037,0.9636505380028785,0.9007179082996367,0.7933079466794599
EOS-2-03318,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)cn1,YPSFNEVAHWUCKH-UHFFFAOYSA-N,2,1,0.585,27,51,451.412,4.278,5,0.397,0.74,1.0,0.6782177369611404,0.4874494551435817,0.959589815639778,0.8844236172983346,0.7524201562607087
EOS-2-03319,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)cc5F)n34)cc2F)cn1,YVUHGPOKJNSYMK-UHFFFAOYSA-N,2,1,0.511,37,394,451.412,3.626,5,0.392,0.67,1.0,0.759517853471318,0.7155866630114454,0.802326776780207,0.7817832910698376,0.764803646083202
EOS-2-03320,COc1cc(-c2cnnn2C)ccc1-c1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,NLNCAWZXAFBGNI-UHFFFAOYSA-N,2,1,0.366,61,697,451.412,4.281,5,0.406,0.75,1.0,0.33275649372901106,0.4211157562881228,0.9663833870193955,0.9065262833253376,0.6566954800904667
EOS-2-03321,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cc4F)n23)cc1,JBVRVSDFSLQUSU-UHFFFAOYSA-N,2,1,0.612,91,520,451.412,3.626,5,0.367,0.67,1.0,0.9364248509355082,0.8769960934822836,0.8309146048934275,0.8065074360907408,0.86271074635049
EOS-2-03322,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)cc5F)n34)c(F)c2)cn1,LQWMWFFEBWHDFK-UHFFFAOYSA-N,2,1,0.523,37,563,451.412,3.626,5,0.392,0.71,1.0,0.7418014529504489,0.7063172503598109,0.7935628126927559,0.7747070111712699,0.7540971317935714
EOS-2-03323,Cc1cccn1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)nc1,BNDCFPRSYWBVJD-UHFFFAOYSA-N,2,1,0.541,27,69,451.412,4.278,5,0.397,0.6,1.0,0.5618189294770749,0.5951528339387293,0.9359708039202248,0.8153656363511754,0.7270770509218012
EOS-2-03324,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)c1,PUYFIEOHKFCGSB-UHFFFAOYSA-N,2,1,0.589,84,73,451.412,4.206,5,0.369,0.77,1.0,0.6102049208416147,0.7477383318483997,0.8684120348159825,0.8192807209923926,0.7614090021245973
EOS-2-03325,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cc(F)cc5F)n34)cn2)cn1,HPKKFNPOXUAUTQ-UHFFFAOYSA-N,2,1,0.53,84,749,451.412,3.626,5,0.392,0.7,1.0,0.6386471112329518,0.6766242889452402,0.8359690905352615,0.797966212048523,0.7373016756904941
EOS-2-03326,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)nc2F)n1,IFBLZQNOFAOKAD-UHFFFAOYSA-N,2,1,0.473,19,442,451.412,3.626,5,0.367,0.64,1.0,0.6596189431841546,0.5998903433623467,0.7461877184565828,0.7282914125145638,0.6834971043794119
EOS-2-03327,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,BIRNISNHQGQMSP-UHFFFAOYSA-N,2,1,0.402,46,1,451.412,4.066,5,0.362,0.65,0.999,0.50023130697005,0.4167294907819889,0.8626636282639983,0.8108508669727914,0.6476188232472071
EOS-2-03328,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)c1,PNQQGLLVFHWUAV-UHFFFAOYSA-N,2,1,0.406,46,1,451.412,4.066,5,0.362,0.6,0.994,0.5176735658967857,0.42112432321293947,0.8612329518196148,0.8192892879172092,0.6548300322116373
EOS-2-03329,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1,UCLRRBQIZSEBBI-UHFFFAOYSA-N,2,1,0.554,43,520,451.412,4.066,5,0.362,0.58,1.0,0.8838839010348846,0.7908042629017887,0.8291669522308273,0.7979747789733397,0.8254574737852101
EOS-2-03330,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nncn4C(F)F)cc3)n12,WDMYIRULUFJIFV-UHFFFAOYSA-N,2,1,0.722,91,520,451.412,4.206,5,0.369,0.73,1.0,0.8838924679597012,0.8714875608251662,0.8654992803783154,0.8372541292577617,0.8645333596052361
EOS-2-03331,Cn1nc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)cc1-c1ccc(F)nc1,ICRPHHQXKROILM-UHFFFAOYSA-N,2,1,0.484,95,998,451.412,3.626,5,0.367,0.68,1.0,0.5705571927900761,0.4826862449455144,0.757658830786101,0.762456308683435,0.6433396443012817
EOS-2-03332,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)nc2F)n1,GWCIDTLFSIDFBQ-UHFFFAOYSA-N,2,1,0.458,19,442,451.412,3.626,5,0.367,0.67,1.0,0.6659156329244055,0.6093910629840312,0.7718713590569529,0.7520988965800837,0.6998192378863684
EOS-2-03333,Cn1nccc1-c1ncccc1COc1cncc2nnc(-c3ccc(C(F)F)cc3F)n12,NTEIYXFFVPTMNA-UHFFFAOYSA-N,2,1,0.5,27,51,451.412,4.243,5,0.384,0.71,1.0,0.6186690425604825,0.6766328558700568,0.8724813241038997,0.8192978548420259,0.7467702693441162
EOS-2-03334,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1F,LVDZYQCIZSEQAM-UHFFFAOYSA-N,2,1,0.506,26,980,451.412,4.066,5,0.387,0.71,1.0,0.7967582756493728,0.6669093962031389,0.8565896785689808,0.8231786717839764,0.7858590055513672
EOS-2-03335,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5c(F)ccc(F)c5F)n34)c2)cn1,GMCREWWSFYYGKR-UHFFFAOYSA-N,2,1,0.511,84,884,451.412,3.626,5,0.367,0.72,1.0,0.6074720718250977,0.5518127612912069,0.8776643136179837,0.843096771982729,0.7200114796792543
EOS-2-03336,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)nc1,FSGPUYZXLKEHPK-UHFFFAOYSA-N,2,1,0.413,96,121,451.412,4.303,5,0.396,0.68,1.0,0.3585172366527311,0.5804434240285107,0.8864539784798848,0.8392587896648619,0.6661683572064971
EOS-2-03337,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)cc2)n1,ZBYPZDQKVRMUTA-UHFFFAOYSA-N,2,1,0.592,43,138,451.412,4.185,5,0.399,0.76,1.0,0.7655147008429855,0.6963196490987595,0.9570283051195942,0.8898893153313686,0.827187992598177
EOS-2-03338,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)c2)c1F,AKHKKXYWRWUMDX-UHFFFAOYSA-N,2,1,0.558,84,884,451.412,3.626,5,0.392,0.69,1.0,0.5436142142416558,0.5378144061407717,0.852254814611747,0.8251062298677266,0.6896974162154753
EOS-2-03339,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1ccc(F)c(F)c1,SVHAPTOBZPQJAW-UHFFFAOYSA-N,2,1,0.5,95,998,451.412,3.626,5,0.392,0.71,0.999,0.5758001507778767,0.4433212254129258,0.7787848673840039,0.7863665958467548,0.6460682098553903
EOS-2-03340,Cn1nccc1-c1nc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)ccc1F,SIIMKWHDQLTTLA-UHFFFAOYSA-N,2,1,0.495,4,51,451.412,4.243,5,0.384,0.76,1.0,0.6186776094852992,0.6621376190802549,0.8612415187444314,0.8043485710369406,0.7366013295867315
EOS-2-03341,Cn1nc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)cc1-c1ccccn1,CYOATBCSJDPJQW-UHFFFAOYSA-N,2,1,0.455,95,805,451.412,4.185,5,0.399,0.76,0.999,0.472842848331163,0.38355835789185116,0.9266328558700568,0.855373175245014,0.6596018093345213
EOS-2-03342,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1ccc(F)c(F)c1,KMUNDADGJFEIBJ-UHFFFAOYSA-N,2,1,0.453,95,266,451.412,3.626,5,0.392,0.72,0.999,0.5409841683229388,0.45210232335001027,0.6946662326091426,0.7205640463299294,0.6020791926530054
EOS-2-03343,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1ccc(F)c(F)c1,MFTVMRJLLUCJTG-UHFFFAOYSA-N,2,1,0.457,95,266,451.412,3.626,5,0.367,0.68,1.0,0.5231906654787197,0.44332979233774245,0.707602289082311,0.7205726132547461,0.5986738400383798
EOS-2-03344,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccc(F)c(F)c1,XWNPQTHYTVOVNA-UHFFFAOYSA-N,2,1,0.463,95,562,451.412,3.626,5,0.392,0.71,0.975,0.5786101021177438,0.4521108902748269,0.7361301487218148,0.7546347063258173,0.6303714618600507
EOS-2-03345,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)cn1,NCZSPIUMEKIPTQ-UHFFFAOYSA-N,2,1,0.568,27,51,451.412,4.185,5,0.399,0.83,1.0,0.6689140566102392,0.5804519909533274,0.9683109451031457,0.9075114796792544,0.7812971180864917
EOS-2-03346,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,BXVQOPCOTNGFBK-UHFFFAOYSA-N,2,1,0.511,43,630,451.412,4.066,5,0.362,0.71,1.0,0.49261531080803234,0.5194469193338359,0.7718799259817696,0.7521074635049003,0.6340124049071345
EOS-2-03347,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)nc1F,HZSLDGWUORYWNM-UHFFFAOYSA-N,2,1,0.468,84,442,451.412,3.626,5,0.367,0.65,0.999,0.7626961825783017,0.6525769309848537,0.7810636693852375,0.7624648756082517,0.7397004146391611
EOS-2-03348,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)nc1F,ARGDEZLGQRKPTH-UHFFFAOYSA-N,2,1,0.581,84,308,451.412,3.626,5,0.367,0.64,1.0,0.8741947090672332,0.6963282160235762,0.8216794599410595,0.7888338701939552,0.7952590638064561
EOS-2-03349,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cn4)n23)c1,ZXRFLOKHYBEZEY-UHFFFAOYSA-N,2,1,0.533,84,159,451.412,4.206,5,0.369,0.73,1.0,0.5436227811664724,0.5518213282160236,0.8684206017407992,0.8212853813994928,0.696287523130697
EOS-2-03350,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nc2)cn1,MCKFPUNUGKRJTL-UHFFFAOYSA-N,2,1,0.566,27,676,451.412,4.185,5,0.399,0.79,1.0,0.5488743060790898,0.6142228085806319,0.9695959838256459,0.9099530532520047,0.7606615379343431
EOS-2-03351,CCn1cc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)ccc2F)cn1,MZWPKHQYRDMREE-UHFFFAOYSA-N,2,1,0.524,73,980,451.412,4.066,5,0.387,0.65,1.0,0.5902696867932287,0.5905523953121787,0.8505842642724968,0.8212939483243095,0.7131750736755534
EOS-2-03352,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)cc2)n1,OLLNZXUCFVVMTF-UHFFFAOYSA-N,2,1,0.62,27,51,451.412,4.185,5,0.399,0.76,1.0,0.690065793982592,0.5951614008635461,0.9441179494208759,0.8352666027002947,0.7661529367418273
EOS-2-03353,CCn1cncc1-c1cnc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c(F)c1,MQAOUZCXUWUOGL-UHFFFAOYSA-N,2,1,0.523,59,294,451.412,4.066,5,0.387,0.68,0.83,0.662831539990405,0.5612535124391749,0.8163765334795422,0.7888424371187719,0.7073260057569735
EOS-2-03354,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nc(F)ccc4F)n23)cc1F,FGCUVKQJULWBQL-UHFFFAOYSA-N,2,1,0.495,37,563,451.412,3.626,5,0.367,0.71,1.0,0.8875933794805017,0.8147145500651086,0.7787934343088205,0.7572647522445343,0.8095915290247413
EOS-2-03355,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,HDXJBYFEVYHNBV-UHFFFAOYSA-N,2,1,0.592,43,138,451.412,4.185,5,0.399,0.79,1.0,0.8475258721129464,0.6233294496607498,0.9570368720444109,0.8968884929065862,0.8311951716811734
EOS-2-03356,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)ccc2F)cn1,AWMQKJIEJIRYJL-UHFFFAOYSA-N,2,1,0.506,37,394,451.412,3.626,5,0.392,0.64,1.0,0.7479182372695498,0.7292680419436639,0.8536940579809471,0.8251147967925434,0.7889987834966761
EOS-2-03357,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1F,QQEPRVIGOWZWJO-UHFFFAOYSA-N,2,1,0.575,88,70,451.412,3.626,5,0.392,0.63,1.0,0.8406123637858954,0.8536340895072305,0.8537026249057639,0.846840518127613,0.8486973990816257
EOS-2-03358,Cn1nncc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1,DGCYRNPSNYGNII-UHFFFAOYSA-N,2,1,0.548,43,51,451.412,4.243,5,0.384,0.69,1.0,0.6782263038859571,0.6963367829483929,0.933100884106641,0.903005277225687,0.8026673120416695
EOS-2-03359,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,YBDZSKPQLFNJRR-UHFFFAOYSA-N,2,1,0.59,43,138,451.412,4.185,5,0.399,0.74,1.0,0.8948666986498527,0.7015197724624769,0.954689534644644,0.8994243026523199,0.8626250771023234
EOS-2-03360,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)ccc(F)c5F)n34)cn2)n1,CCOJRVBXAPEZLQ-UHFFFAOYSA-N,2,1,0.538,84,749,451.412,3.626,5,0.367,0.63,1.0,0.7740216571859365,0.7477468987732163,0.8042543348639573,0.765112055376602,0.7727837365499279
EOS-2-03361,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cc2F)n1,JDOBFUKEKPRLAT-UHFFFAOYSA-N,2,1,0.588,88,803,451.412,3.924,5,0.421,0.64,1.0,0.9192653005277226,0.8954149818381194,0.8023353437050237,0.7979833458981564,0.8537497429922556
EOS-2-03362,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)c(F)c1,OQFRPSGJLUBCGP-UHFFFAOYSA-N,2,1,0.578,88,803,451.412,3.626,5,0.392,0.66,1.0,0.7237680762113632,0.7736275786443698,0.8216880268658763,0.8231872387087931,0.7855677301076006
EOS-2-03363,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccc(F)cc1F,ROQSQTMFKZXPLK-UHFFFAOYSA-N,2,1,0.505,95,998,451.412,3.626,5,0.392,0.63,1.0,0.5462014255362895,0.4786426564320472,0.7739445548625865,0.7863751627715715,0.6462909499006236
EOS-2-03364,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cc(F)cc5F)n34)cc2)n1,OORWZPGSDNRVEV-UHFFFAOYSA-N,2,1,0.618,91,803,451.412,3.626,5,0.392,0.64,1.0,0.8611130148721815,0.7865122335686382,0.7855270372147214,0.752116030429717,0.7963170790213144
EOS-2-03365,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1-c1cncc(F)c1,BFKVMPFCJRPGAF-UHFFFAOYSA-N,2,1,0.5,95,998,451.412,3.626,5,0.392,0.65,1.0,0.5257264752244535,0.39760811459118633,0.7810722363100542,0.7863837296963881,0.6226976389555205
EOS-2-03366,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1-c1ccc(F)nc1,ZWJQMMUZQAZJPO-UHFFFAOYSA-N,2,1,0.495,95,998,451.412,3.626,5,0.367,0.63,1.0,0.5333938729353711,0.4697587553971626,0.7873774929751216,0.7796672606401206,0.642549345486944
EOS-2-03367,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)c(F)c2)n1,XEJBMALAAKUJRB-UHFFFAOYSA-N,2,1,0.565,88,70,451.412,3.626,5,0.392,0.69,1.0,0.8358234528133781,0.8566325131930642,0.7982660544171064,0.7863922966212048,0.8192785792611883
EOS-2-03368,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)cn1,IBLKFKYSRHBXBN-UHFFFAOYSA-N,2,1,0.512,27,69,451.412,4.243,5,0.384,0.65,1.0,0.6720581180179562,0.6963453498732095,0.9292200671646905,0.8718131039681996,0.792359159756014
EOS-2-03369,Cn1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)n1,KDCGJVWAJPLFJD-UHFFFAOYSA-N,2,1,0.575,43,138,451.412,4.185,5,0.399,0.78,1.0,0.8633918168734152,0.7015283393872935,0.9632907271605784,0.907520046604071,0.8589327325063395
EOS-2-03370,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1-c1cncc(F)c1,OUBDAJWXRQLVIW-UHFFFAOYSA-N,2,1,0.588,95,381,451.412,3.626,5,0.392,0.67,1.0,0.6186861764101158,0.4390891645534919,0.7959187170173394,0.7957388115961894,0.6623582173942841
EOS-2-03371,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ncc(F)cc4F)n23)cc1F,CNTIVJKVLGNKHZ-UHFFFAOYSA-N,2,1,0.5,26,563,451.412,3.626,5,0.392,0.69,1.0,0.880080186416284,0.752193132753067,0.7873860598999384,0.7700723048454526,0.7974329209786856
EOS-2-03372,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cc1F,GYWFTFABZDVGHX-UHFFFAOYSA-N,2,1,0.517,26,563,451.412,3.626,5,0.392,0.71,1.0,0.8698769789596327,0.7605287505996847,0.8392673565896785,0.8065160030155575,0.8190472722911384
EOS-2-03373,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(F)n4)n23)cc1F,IVAKPVYUIUGGQN-UHFFFAOYSA-N,2,1,0.505,37,563,451.412,3.626,5,0.367,0.71,0.999,0.8698855458844493,0.7946079775203893,0.8023439106298403,0.7747155780960866,0.8103882530326914
EOS-2-03374,FC(F)(F)n1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cn1,HKUWXCBIBQSNDQ-UHFFFAOYSA-N,2,1,0.61,27,73,451.412,4.148,5,0.386,0.67,1.0,0.6131947776026317,0.6621461860050716,0.8971455006510863,0.8043571379617572,0.7442109005551367
EOS-2-03375,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1,JBFZMSMYDGXAKA-UHFFFAOYSA-N,2,1,0.415,46,711,451.412,4.066,5,0.362,0.68,1.0,0.4012147899390035,0.340184017545062,0.8565982454937976,0.8043657048865739,0.6005906894661093
EOS-2-03376,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)ccc(F)c5F)n34)nc2)cn1,DIWHTZIWPUWESL-UHFFFAOYSA-N,2,1,0.457,84,442,451.412,3.626,5,0.367,0.7,1.0,0.6186947433349325,0.5285963950380371,0.8488623123843465,0.8085977657460078,0.7011878041258309
EOS-2-03377,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nc2F)nn1C,ZYYZDAAYGAGUSZ-UHFFFAOYSA-N,2,1,0.56,59,223,451.412,3.892,5,0.377,0.62,1.0,0.6160218627921321,0.570197381947776,0.785535604139538,0.7339627167431979,0.676429391405661
EOS-2-03378,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(F)c(F)c5)n34)cc2F)cn1,PMNQUQOOPDVAFX-UHFFFAOYSA-N,2,1,0.558,37,919,451.412,3.626,5,0.367,0.65,1.0,0.782699952025221,0.7605373175245014,0.865507847303132,0.8251233637173601,0.8084671201425537
EOS-2-03379,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)c1,XWYUCADSGDBHTI-UHFFFAOYSA-N,2,1,0.548,35,519,451.412,4.206,5,0.369,0.64,1.0,0.7143958604619286,0.7650435199780686,0.885365979028168,0.8352751696251114,0.8000201322733191
EOS-2-03380,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)cc2F)n1,NXKFRMJMXLWORZ-UHFFFAOYSA-N,2,1,0.517,37,563,451.412,3.626,5,0.392,0.65,1.0,0.7740302241107532,0.7477554656980331,0.8105938592282914,0.7771143170447536,0.7773734665204578
EOS-2-03381,c1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)nc5)n34)cn2)c1,BBMKWCMHSUDNTH-UHFFFAOYSA-N,2,1,0.4,6,816,451.414,1.192,6,0.384,0.66,1.0,0.37456308683434997,0.3304177232540607,0.04510485915975601,0.04053868823247207,0.19765608937015972
EOS-2-03382,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5)n34)c2)cc1,LXEAINJPJNOBQS-UHFFFAOYSA-N,2,1,0.455,77,177,451.421,4.835,6,0.367,0.73,1.0,0.6628401069152217,0.5857720512644781,0.7285055856349805,0.7282999794393804,0.6763544308135151
EOS-2-03383,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5)n34)cc2)nc1,JFIWTCPOYPXDSY-UHFFFAOYSA-N,2,1,0.524,77,323,451.421,4.835,6,0.367,0.71,1.0,0.8180642176684257,0.7015369063121102,0.7361387156466315,0.7068569666232609,0.7406492015626069
EOS-2-03384,Fc1cc(-c2ccno2)ccc1-c1ccc(-c2nnc3cncc(Oc4ccncc4)n23)cn1,CLVVMGAOCGDFJY-UHFFFAOYSA-N,2,1,0.453,41,174,451.421,4.835,6,0.367,0.77,1.0,0.7019995202522102,0.6571773696114043,0.7739531217874032,0.741904256048249,0.7187585669248167
EOS-2-03385,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,SZWPDQHPNADNFC-UHFFFAOYSA-N,2,1,0.43,30,220,451.421,4.835,6,0.367,0.72,1.0,0.7237766431361798,0.647462476869303,0.70007196216846,0.6845658282502913,0.6889692276060586
EOS-2-03386,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(C)(C)O)cc4F)n23)no1,FKTFMYALSDGGRG-UHFFFAOYSA-N,2,1,0.463,36,728,451.422,1.915,5,0.407,0.67,1.0,0.43255260091837433,0.5422520731958056,0.32609999314646015,0.21731718182441231,0.37955546227126313
EOS-2-03387,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)c(F)c2)o1,RHUITPSPBGFCJK-UHFFFAOYSA-N,2,1,0.313,9,38,451.425,3.517,6,0.419,0.62,1.0,0.2212322664656295,0.28021554382838737,0.6268590226852169,0.6022291138372969,0.43263398670413267
EOS-2-03388,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)c(-c2ccc(F)cc2)n1,MHWPOTUXKDZRHA-UHFFFAOYSA-N,2,1,0.329,32,572,451.425,3.808,6,0.394,0.63,0.992,0.34235144952367896,0.4211328901377562,0.3521434445891303,0.3860770337879515,0.3754262045096292
EOS-2-03389,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)nc2)o1,VRPHOHHLIHHIHP-UHFFFAOYSA-N,2,1,0.316,70,687,451.425,3.808,6,0.394,0.72,1.0,0.23229216640394765,0.31115070934137484,0.32245048317455965,0.3317541635254609,0.2994118806113357
EOS-2-03390,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnco6)c(F)c5)n34)cc2)cn1,DVYATWSTQRIMGZ-UHFFFAOYSA-N,2,1,0.31,42,725,451.425,3.808,6,0.394,0.63,1.0,0.30228394215612364,0.3596909053526146,0.4007264752244534,0.3925707627989857,0.3638180213830443
EOS-2-03391,Fc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)c1,AQUPFXADTHVVOO-UHFFFAOYSA-N,2,1,0.415,67,611,451.425,3.965,6,0.418,0.69,1.0,0.7769772462476869,0.6421852511822356,0.5515300527722569,0.5427489548351724,0.6283603762593379
EOS-2-03392,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)c(F)c2)o1,RZOOYMPFSXWEES-UHFFFAOYSA-N,2,1,0.313,94,165,451.425,3.808,6,0.394,0.61,1.0,0.33757110547597835,0.48745802206839833,0.5142896305942019,0.47141217188677953,0.4526827325063395
EOS-2-03393,Cc1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)c2)o1,FWFSYQOLRHWQDD-UHFFFAOYSA-N,2,1,0.325,3,572,451.425,3.808,6,0.394,0.64,0.997,0.23798060448221506,0.3787523130697005,0.37477725995476663,0.4274638475772737,0.35474350627098894
EOS-2-03394,Cn1cnc(-c2cccc(C#N)c2)c1-c1nnc2cncc(OCc3ncc(C#N)cc3F)n12,CGKBDQWWRYTKLI-UHFFFAOYSA-N,2,1,0.38,46,348,451.425,3.048,5,0.398,0.68,0.989,0.43475430059625797,0.3881930642176684,0.6268675896100336,0.6322047837708177,0.5205049345486944
EOS-2-03395,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)c(F)c5)n34)on2)nn1,JFYVROYGBNCCPJ-UHFFFAOYSA-N,2,1,0.337,42,106,451.425,3.808,6,0.394,0.63,1.0,0.2917037900075389,0.35002741415941335,0.35954526763073125,0.417731820985539,0.3547520731958056
EOS-2-03396,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)nc2)no1,ZVCUWZORDBLOQI-UHFFFAOYSA-N,2,1,0.333,42,977,451.425,3.808,6,0.394,0.71,1.0,0.29457370982112263,0.3596994722774313,0.29315160030155574,0.2910698375711055,0.30962365499280375
EOS-2-03397,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cn5)n34)cn2)o1,RUWLQSUBXMOWLI-UHFFFAOYSA-N,2,1,0.3,94,392,451.425,3.808,6,0.394,0.71,0.98,0.337579672400795,0.4347971352203413,0.36698135837159895,0.3672297991912823,0.3766469912960044
EOS-2-03398,FCc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)n1,PGNZTSZUNJHCSB-UHFFFAOYSA-N,2,1,0.3,38,787,451.425,3.83,6,0.385,0.64,1.0,0.1882581728462751,0.1995665136042766,0.2531354944829004,0.2762661914879035,0.2293065931053389
EOS-2-03399,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)n2)o1,DHXPSUUHHJRZPQ-UHFFFAOYSA-N,2,1,0.329,38,193,451.425,3.808,6,0.368,0.56,1.0,0.3101226783633747,0.3258943869508601,0.29316016722637245,0.3348639572339113,0.31601029744362963
EOS-2-03400,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)nn2)o1,DDYVFGQMBDJVII-UHFFFAOYSA-N,2,1,0.36,3,541,451.425,3.808,6,0.394,0.75,1.0,0.22124083339044617,0.41203481598245495,0.3003306832979234,0.36723836611609895,0.3252111746967309
EOS-2-03401,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)cn2)n1,WYTSLHOXCDGQPL-UHFFFAOYSA-N,2,1,0.325,70,321,451.425,3.808,6,0.368,0.68,1.0,0.304982523473374,0.359708039202248,0.3669899252964156,0.36066753478171476,0.3480870056884381
EOS-2-03402,Fc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6c[nH]cn6)cc5)n34)cn2)cn1,FKJUGVSWBGNDRG-UHFFFAOYSA-N,2,1,0.365,40,318,451.425,3.965,6,0.391,0.59,1.0,0.6871530395449249,0.5905609622369954,0.6094595983825646,0.5521640052086902,0.6098344013432938
EOS-2-03403,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnc(F)cn6)cn5)n34)cc2)o1,NOEUSIOKUXKELH-UHFFFAOYSA-N,2,1,0.364,42,443,451.425,3.808,6,0.394,0.65,1.0,0.30499109039819067,0.43909773147830855,0.42227229113837295,0.38307861010211774,0.38735993077924746
EOS-2-03404,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(-c6cncnn6)cn5)n34)cc2)o1,NARMVMKINVSZLF-UHFFFAOYSA-N,2,1,0.321,42,303,451.425,3.808,6,0.394,0.57,1.0,0.3022925090809403,0.3835669248166678,0.5210575011993694,0.48944554862586526,0.4240906209307107
EOS-2-03405,Cc1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)c2)o1,RHQHFFJUPJDZAG-UHFFFAOYSA-N,2,1,0.309,3,424,451.425,3.808,6,0.368,0.64,1.0,0.24072202042354876,0.34531560551024604,0.4259646357343568,0.4493266397094099,0.36533222534439036
EOS-2-03406,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)c(F)c5)n34)nc2)no1,OKVMUUAMJAOURL-UHFFFAOYSA-N,2,1,0.321,94,170,451.425,3.808,6,0.394,0.66,1.0,0.2860838873278048,0.38820163114248507,0.44439209101500926,0.44633678294839285,0.391253598108423
EOS-2-03407,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)cc1,JSMZVLPJUXSIRV-UHFFFAOYSA-N,2,1,0.435,28,870,451.425,3.965,6,0.418,0.66,1.0,0.6900743609074087,0.6815160030155575,0.548197519018573,0.5457388115961894,0.6163816736344322
EOS-2-03408,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)nc1,VLAXGFPJQDMDNX-UHFFFAOYSA-N,2,1,0.379,81,763,451.425,3.965,6,0.418,0.66,1.0,0.7537180453704339,0.7063258172846275,0.5346446439586047,0.512482009457885,0.6267926290178878
EOS-2-03409,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccncc6)n5)n34)cc2)oc1F,SSORKKQNEOYMSR-UHFFFAOYSA-N,2,1,0.351,38,186,451.425,3.808,6,0.394,0.71,1.0,0.2834281406346378,0.35971660612706463,0.32974950311836065,0.3129326297032417,0.3214567198958262
EOS-2-03410,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ncc6ccccc6n5)n34)nn2)c1,ACHMCAFVPGPNRE-UHFFFAOYSA-N,2,1,0.35,54,826,451.425,3.305,6,0.389,0.68,0.942,0.5562247275717909,0.5563703652936742,0.30417723254060725,0.3606761017065314,0.4443621067781509
EOS-2-03411,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)cn2)nc1,BJLQLMLNELJXJK-UHFFFAOYSA-N,2,1,0.284,32,154,451.425,3.545,6,0.416,0.62,1.0,0.4396717154410253,0.43005105887190737,0.5550510588719073,0.542757521759989,0.4918828387362072
EOS-2-03412,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2F)o1,QZGIOYQKNWNNDU-UHFFFAOYSA-N,2,1,0.325,94,165,451.425,3.808,6,0.394,0.64,1.0,0.32772770886162705,0.4433383592625591,0.5244671372764033,0.48024467137276405,0.4439444691933383
EOS-2-03413,COc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4nnnn4C)c(F)n3)n12,TZJWOOGSCWVXGA-UHFFFAOYSA-N,2,1,0.41,31,105,451.426,0.879,5,0.328,0.49,0.998,0.39494380097320264,0.36429134397916524,0.012147899390034952,0.006613665958467549,0.1944991775752176
EOS-2-03414,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)c(-c2cc[nH]n2)n1,OIUKFKWBLABMHX-UHFFFAOYSA-N,2,1,0.287,86,812,451.429,2.938,6,0.429,0.64,0.551,0.19940374203275993,0.3009560688095401,0.19971215132615996,0.2085360838873278,0.22715201151394696
EOS-2-03415,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(F)ncn6)cn5)n34)cc2)n1,XJLFRSPWDUQPHS-UHFFFAOYSA-N,2,1,0.329,98,882,451.429,2.64,6,0.372,0.7,1.0,0.14084881091083545,0.22417928860256323,0.24945171681173325,0.26159104927695154,0.21901771640052087
EOS-2-03416,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)c1,CXRXERJIYCPDDV-UHFFFAOYSA-N,2,1,0.317,42,213,451.429,2.64,6,0.398,0.73,1.0,0.19941230895757658,0.22418785552737988,0.2069169350969776,0.252398738948667,0.22072895963265027
EOS-2-03417,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nc[nH]n6)c(F)n5)n34)cc2)cn1,TZLOSNSIXHABJW-UHFFFAOYSA-N,2,1,0.298,86,167,451.429,2.938,6,0.429,0.56,1.0,0.2077393598793777,0.32128538139949286,0.17338599136453978,0.19144506887807552,0.22346395038037148
EOS-2-03418,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)n1,JOFSJXOIAWQZGC-UHFFFAOYSA-N,2,1,0.31,76,387,451.429,2.64,6,0.398,0.66,0.998,0.11378589541498184,0.18622781166472482,0.12429751216503324,0.18584230004797478,0.15253837982317867
EOS-2-03419,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)cn2)n1,JZAFLWYCJFFLKB-UHFFFAOYSA-N,2,1,0.342,98,167,451.429,2.64,6,0.398,0.7,1.0,0.22411075320402987,0.27002090329655265,0.17339455828935646,0.23483654307449797,0.22559068946610925
EOS-2-03420,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ncc(F)cn6)n5)n34)cc2)n[nH]1,MPMYASDUVKGMHI-UHFFFAOYSA-N,2,1,0.293,98,167,451.429,2.938,6,0.429,0.53,0.989,0.23798917140703174,0.2647179768350353,0.17340312521417311,0.21172297991912822,0.2219583133438421
EOS-2-03421,Cc1cncc(-c2ccc(-c3nnc4cncc(-n5cc(-c6ccnnc6)nn5)n34)cc2F)n1,SLAYAEPNILYYKX-UHFFFAOYSA-N,2,1,0.484,71,151,451.429,2.734,6,0.398,0.59,1.0,0.00394935234048386,0.11739257076279899,0.31132204783770817,0.334872524158728,0.19188412377492975
EOS-2-03422,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ncc(-c5ccccc5)cc4F)n23)nc1,ZAFPSWAXJPCUMY-UHFFFAOYSA-N,2,1,0.288,10,654,451.429,2.64,6,0.398,0.8,0.985,0.1273644712494003,0.23955691864848194,0.09038105681584538,0.17488520320745665,0.15804691248029606
EOS-2-03423,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnc(F)cn6)cn5)n34)nc2)cn1,YQUVMJRSQGXTCH-UHFFFAOYSA-N,2,1,0.296,86,443,451.429,2.64,6,0.398,0.66,1.0,0.0715338222191762,0.16512747584127202,0.2859468165307381,0.27036358028921936,0.1982429237201014
EOS-2-03424,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5F)n34)nc2)n1,OWOGTASIBWPOAY-UHFFFAOYSA-N,2,1,0.321,86,968,451.429,2.64,6,0.398,0.65,1.0,0.20205092180111028,0.2959786854910561,0.235067850044548,0.27310499623055307,0.25155061339181684
EOS-2-03425,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)nn2)n1,DOGIIXIRKQCLMX-UHFFFAOYSA-N,2,1,0.338,98,63,451.429,2.64,6,0.398,0.74,0.879,0.13030292646151737,0.27516962511137,0.1604756356658214,0.24638475772736618,0.20308323624151875
EOS-2-03426,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cc5)n34)nn2)n1,NBRHMGSVJYSBBJ-UHFFFAOYSA-N,2,1,0.329,98,63,451.429,2.64,6,0.372,0.71,0.845,0.16311424850935508,0.2751781920361867,0.1962425467754095,0.26763073127270237,0.2255414296484134
EOS-2-03427,Cn1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5F)n34)n2)cn1,VJDPGNBFXQQRMZ-UHFFFAOYSA-N,2,1,0.31,94,151,451.429,2.64,6,0.398,0.67,0.982,0.13827016654101842,0.26472654375985194,0.3297580700431773,0.36724693304091566,0.27500042834624083
EOS-2-03428,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccnc(F)c6)cn5)n34)nc2)n[nH]1,UNVMEJGEIINPQG-UHFFFAOYSA-N,2,1,0.264,86,72,451.429,2.938,6,0.401,0.66,0.988,0.15494996915907067,0.27002947022136936,0.22079535329997943,0.22587553971626345,0.21791258309917072
EOS-2-03429,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(F)c(-c6cccnc6)n5)n34)cc2)n1,YFYWCQQVWUYJKV-UHFFFAOYSA-N,2,1,0.318,98,167,451.429,2.64,6,0.398,0.75,1.0,0.19369817010485915,0.2292937427181139,0.16673805770680555,0.1996436159276266,0.1973433966143513
EOS-2-03430,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)cn2)n1,OJYAXEBSOODBEN-UHFFFAOYSA-N,2,1,0.318,70,72,451.429,2.64,6,0.398,0.66,1.0,0.10085840586663011,0.19494037420327598,0.15718593653622095,0.24639332465218286,0.17484451031457748
EOS-2-03431,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)n1,UQENXEBUQBBJBD-UHFFFAOYSA-N,2,1,0.325,98,50,451.429,2.64,6,0.398,0.64,1.0,0.24608491535878282,0.27518675896100336,0.22409361935439653,0.267639298197519,0.2532511479679254
EOS-2-03432,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccc(-c6cnc(F)cn6)c5)n34)nc2)n1,RJPATNLXBBSMFT-UHFFFAOYSA-N,2,1,0.333,98,968,451.429,2.64,6,0.398,0.64,1.0,0.127373038174217,0.20893016242889453,0.20327599204989377,0.23197519018573093,0.19288859570968409
EOS-2-03433,Cn1nc(-c2cncc(-c3cncc4nnc(-c5ccc(F)nc5)n34)n2)nc1-c1cccnc1,DIYQPYSBIKKLBT-UHFFFAOYSA-N,2,1,0.329,86,812,451.429,2.64,6,0.372,0.6,0.675,0.12738160509903365,0.20410698375711056,0.11292063600849839,0.16164930436570488,0.15151463230758686
EOS-2-03434,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(F)c6)n5)n34)cc2)nn1,VLJDQVOQTXYIGA-UHFFFAOYSA-N,2,1,0.347,8,973,451.429,2.734,6,0.398,0.65,1.0,0.03665787129052155,0.21381330957439518,0.12177026934411624,0.18585086697279143,0.1395230792954561
EOS-2-03435,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)n1,CJLGZCZCJSYARQ-UHFFFAOYSA-N,2,1,0.317,98,219,451.429,2.64,6,0.398,0.72,1.0,0.2353077239394147,0.270038037146186,0.26739085737783563,0.3189466109245425,0.2729208073469947
EOS-2-03436,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1,RDVZBTFSBDKCCG-UHFFFAOYSA-N,2,1,0.329,25,508,451.429,2.64,6,0.398,0.67,1.0,0.22966212048523063,0.25964635734356795,0.3224590500993763,0.38007161949146734,0.29795978685491054
EOS-2-03437,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccno6)cc5)n34)cc2F)c1,FWLPPGJUBYUIEK-UHFFFAOYSA-N,2,1,0.425,69,30,451.436,6.059,6,0.326,0.8,1.0,0.36761531080803234,0.43480570214515796,0.9581420053457611,0.9657323007333287,0.68157382975807
EOS-2-03438,Fc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3F)n12,UTDNBWWQQRCYIO-UHFFFAOYSA-N,2,1,0.373,21,107,451.436,6.059,6,0.326,0.78,1.0,0.3585258035775478,0.48269481187033103,0.9387550544856418,0.9477417586183263,0.6819293571379617
EOS-2-03439,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)ccc1-c1ccccc1,VGWMWSQRUMSGAA-UHFFFAOYSA-N,2,1,0.354,93,834,451.44,5.189,6,0.399,0.68,1.0,0.34469878692344597,0.397616681516003,0.902696867932287,0.9208501816188062,0.6414656294976355
EOS-2-03440,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccc6F)cc5)n34)cn2)c1,LSBCVFPTQVSUGF-UHFFFAOYSA-N,2,1,0.337,3,668,451.44,4.984,6,0.378,0.7,1.0,0.021331642793502845,0.2596549242683846,0.8711534507573162,0.8926564320471524,0.511199112466589
EOS-2-03441,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)cc1F,BPTPYNFEJLJTQR-UHFFFAOYSA-N,2,1,0.291,30,668,451.44,4.984,6,0.378,0.75,0.99,0.010879994517168118,0.17776368994585703,0.880362894935234,0.9030138441505038,0.4930051058871907
EOS-2-03442,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)cc1F,MERHBRYABUGOLM-UHFFFAOYSA-N,2,1,0.324,30,668,451.44,4.984,6,0.378,0.79,0.999,0.014872181481735317,0.18185868000822425,0.8790007538893838,0.8981820985539031,0.4934784284833116
EOS-2-03443,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1,LHTNMWHGIJLOLB-UHFFFAOYSA-N,2,1,0.354,93,991,451.44,4.984,6,0.378,0.77,1.0,0.0352614625454047,0.3059934206017408,0.8550561990267973,0.9042303474744706,0.5251353574121034
EOS-2-03444,Fc1ccc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c1,MPMSBBPEWQLWRZ-UHFFFAOYSA-N,2,1,0.346,93,991,451.44,4.984,6,0.378,0.79,1.0,0.03819991775752176,0.3111592762661915,0.8522633815365637,0.9018230416009869,0.525861404290316
EOS-2-03445,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(F)c1,HSRXXQRHCJBEPW-UHFFFAOYSA-N,2,1,0.317,30,317,451.44,4.984,6,0.378,0.69,0.992,0.020312178740319375,0.20411555068192722,0.8291755191556439,0.8669556575971489,0.48013972654375986
EOS-2-03446,Fc1cc(F)cc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,XWHAPMBGHULCFW-UHFFFAOYSA-N,2,1,0.365,93,991,451.44,4.984,6,0.378,0.78,1.0,0.13581145911863476,0.3401925844698787,0.8216965937906929,0.8774073058734837,0.5437769858131725
EOS-2-03447,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccc6F)c5)n34)cc2)cc1,XOSKMAJWCGEXGX-UHFFFAOYSA-N,2,1,0.377,83,550,451.44,4.984,6,0.378,0.85,1.0,0.031500582550887536,0.3642999109039819,0.8505928311973134,0.8844321842231513,0.5327063772188335
EOS-2-03448,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1F,QPJTYOMADIQCLC-UHFFFAOYSA-N,2,1,0.318,69,152,451.44,5.189,6,0.399,0.72,1.0,0.322519018573093,0.46108046055787816,0.9016260023302035,0.9111352888767048,0.6490901925844699
EOS-2-03449,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cc2)cc1,XKRXLGLYPPRKAE-UHFFFAOYSA-N,2,1,0.377,93,991,451.44,4.984,6,0.378,0.81,1.0,0.05004797477897334,0.36430847782879855,0.862672195188815,0.9087279830032212,0.546439157699952
EOS-2-03450,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c(F)c1,DNXXDGXAXVAFDP-UHFFFAOYSA-N,2,1,0.346,93,991,451.44,4.984,6,0.378,0.79,1.0,0.04113837296963882,0.2909927352477555,0.8522719484613803,0.9007264752244535,0.5212823829758071
EOS-2-03451,Fc1ccc(F)c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,IIZXFSFOAWAKSL-UHFFFAOYSA-N,2,1,0.354,83,834,451.44,5.189,6,0.399,0.71,1.0,0.3201288465492427,0.44790453018984305,0.9183572064971558,0.9291600986909739,0.6538876704818039
EOS-2-03452,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cc2)c1,HVTXKNIXWAMPBK-UHFFFAOYSA-N,2,1,0.337,3,668,451.44,4.984,6,0.378,0.76,1.0,0.02911897745185388,0.2596634911932013,0.9027054348571036,0.9197364813926393,0.5278060962236996
EOS-2-03453,Fc1cnc(-c2cccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)c2)cc1F,KEMPJKGXZFDJES-UHFFFAOYSA-N,2,1,0.31,30,668,451.44,4.984,6,0.378,0.69,1.0,0.007650263861284354,0.14971557809608663,0.8724898910287163,0.8859827976149681,0.47895963265026387
EOS-2-03454,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1F,GBTRJCGLRXPZEK-UHFFFAOYSA-N,2,1,0.355,93,991,451.44,4.984,6,0.378,0.72,1.0,0.1035484202590638,0.36431704475361526,0.847071825097663,0.8886214104585018,0.550889675142211
EOS-2-03455,Fc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c1,PPMOOEHHOBVOJJ-UHFFFAOYSA-N,2,1,0.36,93,991,451.44,4.984,6,0.378,0.77,1.0,0.04114693989445549,0.2395654855732986,0.858106024261531,0.9030224110753204,0.5104602152011514
EOS-2-03456,Fc1cc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)ccc1-c1ccccc1,UHYXKGPUTSYQLB-UHFFFAOYSA-N,2,1,0.333,93,991,451.44,4.984,6,0.378,0.75,1.0,0.030172709204304024,0.26473511068466865,0.8407065999588788,0.8968970598314029,0.5081278699198136
EOS-2-03457,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cc1F,FRMPPDYFFRMCBU-UHFFFAOYSA-N,2,1,0.321,3,668,451.44,4.984,6,0.378,0.74,1.0,0.04115550681927215,0.25967205811801797,0.8982163662531698,0.9054468507984373,0.5261226954972243
EOS-2-03458,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cc2)cc1,VYNHYPYLSJBFIH-UHFFFAOYSA-N,2,1,0.403,83,550,451.44,4.984,6,0.378,0.72,1.0,0.06212733877047495,0.3352666027002947,0.8455383455554794,0.8940185730930026,0.5342377150298129
EOS-2-03459,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)cn2)cc1,PAQAEVORWUEEFD-UHFFFAOYSA-N,2,1,0.35,3,668,451.44,4.984,6,0.378,0.79,1.0,0.053226303885957095,0.2546090055513673,0.8886556781577685,0.9042389143992873,0.525182475498595
EOS-2-03460,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1F,IXSVRXRPRPTRSU-UHFFFAOYSA-N,2,1,0.318,30,317,451.44,4.984,6,0.378,0.69,0.999,0.026848742375436913,0.1862363785895415,0.8470803920224796,0.8746830237817833,0.48371213419231035
EOS-2-03461,Fc1nccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)c1F,WQTYVVFEIBIZND-UHFFFAOYSA-N,2,1,0.359,93,68,451.44,4.984,6,0.353,0.73,0.999,0.023447673223219792,0.24471420738811597,0.872498457953533,0.8886299773833185,0.5073225789870468
EOS-2-03462,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)cn2)cc1,CFDKVLNLEUJHDE-UHFFFAOYSA-N,2,1,0.333,3,668,451.44,4.984,6,0.378,0.84,1.0,0.022308272222602975,0.2496316222328833,0.8803714618600507,0.8994328695771366,0.5129360564731684
EOS-2-03463,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cc5)n34)cn2)c1,ZFQLLWHHSGQNIQ-UHFFFAOYSA-N,2,1,0.333,3,668,451.44,4.984,6,0.353,0.77,1.0,0.03666643821533822,0.280224110753204,0.9059780001370707,0.9164896168871222,0.5348395414981838
EOS-2-03464,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5F)c4)n23)cn1,VFSYEUYTCQFKNA-UHFFFAOYSA-N,2,1,0.341,30,668,451.44,4.984,6,0.378,0.7,1.0,0.01931841546158591,0.2596806250428346,0.8626807621136316,0.8940271400178192,0.5089267356589678
EOS-2-03465,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)cc2)cc1,DMWONCMKVDOEBM-UHFFFAOYSA-N,2,1,0.387,83,834,451.44,5.189,6,0.399,0.74,1.0,0.3514152559797135,0.5240216571859365,0.9134997601261051,0.9312675621958741,0.6800510588719073
EOS-2-03466,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cn2)cc1,LSJYRRYANKKQKR-UHFFFAOYSA-N,2,1,0.325,3,668,451.44,4.984,6,0.378,0.77,0.999,0.012499143307518333,0.2647436776094853,0.8829244054554177,0.9075286135288877,0.5169239599753273
EOS-2-03467,Fc1cc(-c2cccnc2F)ccc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,RVZIVBNEOLJFGH-UHFFFAOYSA-N,2,1,0.326,69,30,451.44,5.189,6,0.373,0.7,1.0,0.339824206702762,0.45211945719964364,0.920130559934206,0.9219724487697896,0.6585116681516003
EOS-2-03468,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccn(-c6cncc(F)c6)n5)n34)cc2)cc1,CUYGENREAJLUKC-UHFFFAOYSA-N,2,1,0.377,3,550,451.44,4.984,6,0.378,0.75,1.0,0.04848022753752313,0.3212939483243095,0.8790093208142006,0.9042474813241039,0.5382577445000343
EOS-2-03469,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)c(F)cn1,NFSCTVXWDUFOJF-UHFFFAOYSA-N,2,1,0.329,3,668,451.44,4.984,6,0.353,0.7,1.0,0.03018127612912069,0.24964018915769995,0.889855047632102,0.8981906654787197,0.5169667945994105
EOS-2-03470,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)c(F)c1,MKQGBKQWODAYPB-UHFFFAOYSA-N,2,1,0.291,30,668,451.44,4.984,6,0.378,0.77,0.962,0.0164998971969022,0.1818672469330409,0.8581145911863477,0.8912171886779522,0.4869247309985607
EOS-2-03471,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3F)n12,ADTJOIILMGRCRH-UHFFFAOYSA-N,2,1,0.354,93,107,451.44,5.189,6,0.399,0.65,1.0,0.33758823932561166,0.44334692618737576,0.897154067575903,0.917603317113289,0.6489231375505449
EOS-2-03472,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n(C)n2)n1C,AYMQOZCIQIDMFO-UHFFFAOYSA-N,2,1,0.472,36,926,451.441,3.145,5,0.391,0.7,0.972,0.4753015557535467,0.4697673223219793,0.26022890823110134,0.24069631964909877,0.36149852648893155
EOS-2-03473,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cc(F)n4)n23)nn1C,CAFUECYSEKKZJS-UHFFFAOYSA-N,2,1,0.368,31,569,451.441,2.703,5,0.351,0.55,0.688,0.3470632581728463,0.19040847097525873,0.19972071825097662,0.1941350832705092,0.2328318826673977
EOS-2-03474,CC(C)n1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)nn1,GLBGVWPMYKDNGG-UHFFFAOYSA-N,2,1,0.543,36,519,451.441,3.801,5,0.371,0.67,1.0,0.23531629086423136,0.39275923514495237,0.5142981975190186,0.3476715098348297,0.372511308340758
EOS-2-03475,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccnc(S(=O)(=O)F)c5)n34)cc2)cn1,RNEUJLXCOFZHTK-UHFFFAOYSA-N,2,1,0.512,15,519,451.443,3.037,5,0.374,0.74,1.0,0.4442121855938592,0.5518298951408402,0.42228085806318966,0.36068466863134807,0.4447519018573093
EOS-2-03476,CCOc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3conc3-c3ccccc3)n12,CEVIBMBGDIMLMR-UHFFFAOYSA-N,2,1,0.364,30,220,451.446,4.562,6,0.359,0.63,0.999,0.21867075594544583,0.11444554862586526,0.3822390514700843,0.3445188815022959,0.26496855938592284
EOS-2-03477,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)c2)o1,LCVVQLFCJXKIRG-UHFFFAOYSA-N,2,1,0.456,28,297,451.446,4.384,6,0.363,0.79,1.0,0.4582705092180111,0.3162394626824755,0.3747858268795833,0.3034319100815571,0.36318192721540676
EOS-2-03478,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnc(C)o4)cc3)n12,AERCPRSAJMIHEB-UHFFFAOYSA-N,2,1,0.333,9,38,451.446,4.48,6,0.374,0.67,1.0,0.33759680625042837,0.11740113768761565,0.5210660681241861,0.3769104242341169,0.3382436090740868
EOS-2-03479,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)o5)n34)cn2)no1,BUIZLVGIZIQAFE-UHFFFAOYSA-N,2,1,0.483,28,363,451.446,4.384,6,0.363,0.66,1.0,0.39495236789801935,0.15367349736138716,0.26739942430265234,0.24640189157699952,0.26560679528476455
EOS-2-03480,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)c2)o1,WJVFTLCKMJCRSW-UHFFFAOYSA-N,2,1,0.512,77,190,451.446,4.384,6,0.363,0.75,1.0,0.5562332944966075,0.3547991912822973,0.4620228222877116,0.37691899115893357,0.4374935748063875
EOS-2-03481,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)cn1,HGWAXWVJMXVBND-UHFFFAOYSA-N,2,1,0.467,40,355,451.45,3.216,6,0.376,0.61,1.0,0.367623877732849,0.24472277431293263,0.3443646768555959,0.2584469878692345,0.30378957919265304
EOS-2-03482,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnn(C)c4)nc3)n12,JZEWFUOAFIKXMN-UHFFFAOYSA-N,2,1,0.299,42,727,451.45,3.312,6,0.388,0.67,1.0,0.21046364197107806,0.10490199438009733,0.37087074223836614,0.25845555479405113,0.23617298334589817
EOS-2-03483,Cn1nc(-c2ccoc2)nc1COc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,UKSYBQBUBCOURQ-UHFFFAOYSA-N,2,1,0.444,80,496,451.45,3.216,6,0.376,0.74,1.0,0.35142382290453017,0.27519532588582,0.10500479747789733,0.10731786717839764,0.2097354533616613
EOS-2-03484,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)c1,BLRFVIBFGYRUKF-UHFFFAOYSA-N,2,1,0.454,81,218,451.45,3.216,6,0.376,0.68,1.0,0.26722808580631896,0.1497241450209033,0.19285004454800905,0.15347645809060378,0.19081968336645877
EOS-2-03485,COc1cc(-c2nc(C)co2)ccc1-c1nnc2cncc(-c3cn(-c4ccncc4)nn3)n12,ZJZVHXNXICCRKN-UHFFFAOYSA-N,2,1,0.305,10,620,451.45,3.406,6,0.388,0.67,1.0,0.08877047495031183,0.0892330888904119,0.24946028373654994,0.16947947364813926,0.14923583030635323
EOS-2-03486,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)nc5)n34)cn2)o1,OWTYZJMOVTXBKC-UHFFFAOYSA-N,2,1,0.511,6,879,451.45,3.309,6,0.375,0.58,1.0,0.32013741347405933,0.2089387293537112,0.29682681104790626,0.1941436501953259,0.2550116510177507
EOS-2-03487,Cn1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ncon6)n5)n34)c2)n1,LAWFZOQRYIVEPV-UHFFFAOYSA-N,2,1,0.454,81,218,451.45,3.216,6,0.376,0.61,1.0,0.27779110410527036,0.20412411760674387,0.21038653964772805,0.16948804057295594,0.21544745048317457
EOS-2-03488,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)c2)n1,QCWOPQCRCZEKNI-UHFFFAOYSA-N,2,1,0.404,81,826,451.45,3.216,6,0.376,0.71,1.0,0.37687615653485024,0.16905112740730588,0.30033925022274005,0.23484510999931466,0.2702779110410527
EOS-2-03489,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)nn1,ROWOYOBWZYYGCX-UHFFFAOYSA-N,2,1,0.495,40,609,451.45,3.216,6,0.376,0.62,1.0,0.2889281063669385,0.20894729627852787,0.2531440614077171,0.2117315468439449,0.2406877527242821
EOS-2-03490,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cc2)o1,QSRXDIYAYBEVIG-UHFFFAOYSA-N,2,1,0.547,81,2,451.45,3.309,6,0.375,0.71,1.0,0.3423600164484957,0.19957508052909328,0.22410218627921322,0.16165787129052156,0.2319237886368309
EOS-2-03491,COc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnc(C)o6)cc5)n34)nn2)cc1,XHNZQULQWOJYRI-UHFFFAOYSA-N,2,1,0.39,3,39,451.45,3.406,6,0.388,0.72,1.0,0.11664724830374888,0.12443458296209993,0.2494688506613666,0.18585943389760812,0.16910252895620587
EOS-2-03492,Cn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)n1,CRQYZDHCBIOCCJ-UHFFFAOYSA-N,2,1,0.442,56,350,451.45,3.216,6,0.376,0.66,1.0,0.33520663422657804,0.17353162908642314,0.2208039202247961,0.21174011376876156,0.23532057432663972
EOS-2-03493,Cn1cc(-c2nnc3cncc(OCc4nnc(-c5ccccn5)o4)n23)c(-c2ccccc2)n1,AMTGRJNBKPBAFM-UHFFFAOYSA-N,2,1,0.448,81,218,451.45,3.216,6,0.376,0.69,1.0,0.2323007333287643,0.1458176273045028,0.06766157220204236,0.0802121170584607,0.13149801247344253
EOS-2-03494,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccno6)n5)n34)cc2)n1,RCEMGXDMUOGBEC-UHFFFAOYSA-N,2,1,0.441,40,350,451.45,3.216,6,0.376,0.61,1.0,0.3768847234596669,0.25461757247618394,0.27498115276540336,0.2147642382290453,0.28031192173257485
EOS-2-03495,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,YYNWKQRSCBLCEU-UHFFFAOYSA-N,2,1,0.461,40,25,451.45,3.216,6,0.376,0.68,0.997,0.4189397573846892,0.3352751696251114,0.09253992186964567,0.09487869234459598,0.23540838530601058
EOS-2-03496,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cn5)n34)c2)o1,ZUYHKVQRACPYIN-UHFFFAOYSA-N,2,1,0.398,80,160,451.45,3.309,6,0.375,0.6,1.0,0.23532485778904805,0.12080220683983277,0.307561167843191,0.20854465081214446,0.21805822082105408
EOS-2-03497,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)cc2)cn1,PNGVYLUXLDUURS-UHFFFAOYSA-N,2,1,0.402,6,826,451.45,3.216,6,0.376,0.71,1.0,0.394960934822836,0.157391542731821,0.3708793091631828,0.28803714618600507,0.3028172332259612
EOS-2-03498,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cocn6)ccn5)n34)cc2)n[nH]1,IDVGMZCWVNFQDH-UHFFFAOYSA-N,2,1,0.505,40,425,451.45,3.514,6,0.404,0.59,1.0,0.470135700089096,0.36932012884654924,0.27498971969022,0.20572613254746078,0.33004292029333154
EOS-2-03499,Cc1cc(C)c(-c2cc(-c3cncc4nnc(-c5ccc(-c6nnc(C)o6)cc5)n34)no2)nn1,UHKDMRHUIBRPQP-UHFFFAOYSA-N,2,1,0.286,98,424,451.45,3.879,6,0.388,0.63,1.0,0.1684857103694058,0.11445411555068193,0.1022719484613803,0.08369885545884449,0.11722765746007813
EOS-2-03500,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)cc1,ZQXQDLZTZVRJOB-UHFFFAOYSA-N,2,1,0.473,81,609,451.45,3.216,6,0.376,0.64,1.0,0.44196765129189225,0.20413268453156055,0.2707576588307861,0.21477280515386196,0.28290769995202525
EOS-2-03501,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6n[nH]c(=N)o6)cc5)n34)cc2)cn1,LQFZKTMBBAYNTI-UHFFFAOYSA-N,2,1,0.476,9,722,451.45,3.447,6,0.41,0.67,1.0,0.39496950174765266,0.30600198752655744,0.44788739634020974,0.33488109108354464,0.3709349941744911
EOS-2-03502,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6noc(=O)n6C)nc5)n34)cc2)cn1,ULJWHJOIBILLPB-UHFFFAOYSA-N,2,1,0.286,42,725,451.45,2.608,6,0.401,0.75,1.0,0.16849427729422248,0.13848433966143514,0.15117195531492017,0.15348502501542047,0.15290889932149956
EOS-2-03503,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)cn1,WIQAXOHFGOVMLX-UHFFFAOYSA-N,2,1,0.484,40,932,451.45,3.309,6,0.375,0.62,1.0,0.3629206360084984,0.21382187649921183,0.34437324378041256,0.23785210060996503,0.289741964224522
EOS-2-03504,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccccn5)n4)n23)cc1,NIUYBPGJNQBXKT-UHFFFAOYSA-N,2,1,0.438,40,59,451.45,3.216,6,0.376,0.75,1.0,0.4537471729148105,0.29100130217257214,0.11013638544308135,0.09687478582687958,0.2379399115893359
EOS-2-03505,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C#N)nc5)n34)cn2)ccc1=O,SVEDKWHAYBNKNT-UHFFFAOYSA-N,2,1,0.5,58,981,451.45,1.835,5,0.378,0.68,0.651,0.5436313480912891,0.3693286957713659,0.22782023164964704,0.1805736412857241,0.3303384791995066
EOS-2-03506,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)cc2)no1,ZYWIEAJDLWYHDA-UHFFFAOYSA-N,2,1,0.732,40,104,451.45,3.309,6,0.375,0.74,1.0,0.24609348228359948,0.1777722568706737,0.14203961346035227,0.12782708518950037,0.17343310945103144
EOS-2-03507,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccno6)cc5)n34)cc2)n1,FMHWZPRHNCKAED-UHFFFAOYSA-N,2,1,0.557,77,190,451.45,3.216,6,0.376,0.66,1.0,0.5334024398601878,0.2546261394010006,0.3041857994654239,0.2644952367898019,0.3391774038791035
EOS-2-03508,Cc1onc(-c2ccccc2)c1-c1nnc2cncc(Oc3cc(-c4cncnc4)nn3C)n12,SZXGKIRFRHUHMD-UHFFFAOYSA-N,2,1,0.348,94,318,451.45,3.738,6,0.386,0.56,1.0,0.25645089438695085,0.1347148927421013,0.13286443698170106,0.12362072510451648,0.16191273730381742
EOS-2-03509,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccn6)no5)n34)cc2)n[nH]1,IIEAJBJRQYMKJM-UHFFFAOYSA-N,2,1,0.474,40,763,451.45,3.514,6,0.404,0.56,1.0,0.43968028236584195,0.430059625796724,0.14204818038516895,0.12985744637105065,0.2854113837296964
EOS-2-03510,COc1cc(-c2nnc(C)o2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,JUYLMPUKLYGGFO-UHFFFAOYSA-N,2,1,0.326,9,537,451.45,3.61,6,0.417,0.68,1.0,0.33983277362757863,0.16905969433212253,0.28240010965663764,0.1996521828524433,0.2477361901171955
EOS-2-03511,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cc1,UUROBQXAFJDWCV-UHFFFAOYSA-N,2,1,0.531,67,245,451.45,3.216,6,0.376,0.64,1.0,0.5786186690425604,0.3009646357343568,0.3188866424508259,0.2645038037146186,0.3657434377355904
EOS-2-03512,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C#N)nc5)n34)cn2)cn1,NVMYHHKDKFOGKG-UHFFFAOYSA-N,2,1,0.516,65,903,451.45,2.54,5,0.363,0.7,1.0,0.7797272291138373,0.6914536358028922,0.3151257624563087,0.19145363580289218,0.4944400657939826
EOS-2-03513,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-n6cccn6)cn5)n34)cc2)o1,QPYLEACSPJKSQQ-UHFFFAOYSA-N,2,1,0.461,40,518,451.45,3.309,6,0.375,0.66,1.0,0.4120776506065383,0.3213025152491262,0.23507641696936468,0.1640737440888219,0.28313258172846273
EOS-2-03514,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)o1,JENKPYFXLHURDQ-UHFFFAOYSA-N,2,1,0.5,81,932,451.45,3.309,6,0.375,0.65,1.0,0.28069529161812073,0.22930230964293058,0.23156397779453086,0.1667294907819889,0.22707276745939275
EOS-2-03515,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncco6)nc5)n34)nc2)cn1,SODXNFQWQYFKEB-UHFFFAOYSA-N,2,1,0.506,6,297,451.45,3.216,6,0.376,0.62,1.0,0.32252758549790966,0.21886779521622918,0.3003478171475567,0.20573469947227743,0.2618694743334933
EOS-2-03516,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nc5)n34)cc2)o1,LTUPKQPWPQBGFV-UHFFFAOYSA-N,2,1,0.57,40,2,451.45,3.309,6,0.375,0.67,1.0,0.3676324446576657,0.2447313412377493,0.3370313892125283,0.2348536769241313,0.29606221300801866
EOS-2-03517,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)cn1,ZJOSGUWSHITSCD-UHFFFAOYSA-N,2,1,0.452,40,350,451.45,3.216,6,0.376,0.72,1.0,0.3652679734082654,0.2546347063258173,0.2786563635117538,0.20855321773696114,0.2767780652456994
EOS-2-03518,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cn1,LRBZKEYFDXRCBG-UHFFFAOYSA-N,2,1,0.488,81,117,451.45,3.216,6,0.376,0.63,1.0,0.4975070248783497,0.25464327325063396,0.3261085600712768,0.2464104585018162,0.33116732917551917
EOS-2-03519,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cn1,QZADUBNUCASAQU-UHFFFAOYSA-N,2,1,0.478,81,117,451.45,3.216,6,0.376,0.64,1.0,0.3537368926050305,0.24964875608251663,0.30419436639024056,0.2258841066410801,0.2833660304297169
EOS-2-03520,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)no1,PRGYLYKYEZWLTP-UHFFFAOYSA-N,2,1,0.489,40,763,451.45,3.514,6,0.404,0.61,1.0,0.4827290795695977,0.42114145706257283,0.2422554999657323,0.19415221712014255,0.3350695634295114
EOS-2-03521,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,QPYPVAZVZNDGPW-UHFFFAOYSA-N,2,1,0.568,77,190,451.45,3.216,6,0.376,0.73,1.0,0.47531012267836337,0.23957405249811528,0.2895534918785553,0.2731135631553697,0.3193878075526009
EOS-2-03522,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,OTUXQVOUQYQMSX-UHFFFAOYSA-N,2,1,0.5,71,117,451.45,3.216,6,0.376,0.58,1.0,0.5026214789939003,0.2041412514563772,0.37871804537043385,0.2822459050099376,0.34193167020766224
EOS-2-03523,Cc1noc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cccn6C)cn5)n34)cn2)n1,LGEUWOPBQPFCGY-UHFFFAOYSA-N,2,1,0.35,6,318,451.45,3.738,6,0.386,0.72,1.0,0.39697416215475295,0.2802326776780207,0.22081248714961277,0.15620074018230415,0.26355501679117266
EOS-2-03524,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cn5)n34)cc2)o1,PWLYWURHHQDXFT-UHFFFAOYSA-N,2,1,0.5,40,932,451.45,3.309,6,0.375,0.69,1.0,0.27008087177026935,0.2546518401754506,0.32611712699609346,0.234862243848948,0.27142802069769034
EOS-2-03525,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)o5)n34)cn2)cn1,KWEFXQLVHLTNJC-UHFFFAOYSA-N,2,1,0.444,6,297,451.45,3.216,6,0.376,0.61,1.0,0.1738914399287232,0.06483448701254198,0.22411075320402987,0.16673805770680555,0.15739368446302515
EOS-2-03526,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cnn1,CCGCMNOJBBQBCH-UHFFFAOYSA-N,2,1,0.462,81,2,451.45,3.216,6,0.376,0.65,1.0,0.5176821328216024,0.23958261942293194,0.31889520937564253,0.2556370365293674,0.3329492495373861
EOS-2-03527,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)no1,HSQWRGNVXWCAGX-UHFFFAOYSA-N,2,1,0.566,12,285,451.45,3.216,6,0.376,0.76,1.0,0.3447073538482626,0.2910098690973888,0.13587999451716812,0.18586800082242477,0.23936630457131108
EOS-2-03528,Cc1nc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4)n23)ccc1-c1cn(C)cn1,UFWDNWXCQNETTC-UHFFFAOYSA-N,2,1,0.385,81,870,451.45,3.738,6,0.386,0.62,0.991,0.3327650606538277,0.19494894112809266,0.2563823589884175,0.18872078678637516,0.24320428688917828
EOS-2-03529,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)no1,QLZQGPYWUCZEHB-UHFFFAOYSA-N,2,1,0.539,40,763,451.45,3.514,6,0.404,0.57,1.0,0.5872883969570283,0.3976252484408197,0.23875162771571518,0.19416078404495923,0.3544565142896306
EOS-2-03530,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccoc5)cn4)n23)cn1,PUUONFQWCOMSCW-UHFFFAOYSA-N,2,1,0.483,6,843,451.45,3.216,6,0.376,0.67,1.0,0.36527654033308204,0.20895586320334453,0.23157254471934755,0.20271914193681037,0.2521310225481461
EOS-2-03531,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)nn4)n23)c1,RBNJNRSKODBNLB-UHFFFAOYSA-N,2,1,0.457,81,218,451.45,3.216,6,0.376,0.59,1.0,0.37211294633678293,0.19958364745390994,0.26351004043588516,0.22291138372969638,0.2645295044890686
EOS-2-03532,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cc5)n34)nc2)no1,IEAKFXYDLNOPAC-UHFFFAOYSA-N,2,1,0.378,6,843,451.45,3.309,6,0.375,0.77,1.0,0.3447159207730793,0.16120382427523816,0.25315262833253377,0.19678226303885957,0.23896365910492773
EOS-2-03533,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnco6)cn5)n34)cc2)n[nH]1,QCFZLWARJPGFAK-UHFFFAOYSA-N,2,1,0.442,40,355,451.45,3.514,6,0.404,0.63,1.0,0.48527345624014806,0.3835754917414845,0.3113306147625248,0.23786066753478172,0.35451005756973475
EOS-2-03534,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cc2)n1,BTVBCIURDWPLHR-UHFFFAOYSA-N,2,1,0.478,81,609,451.45,3.216,6,0.376,0.59,1.0,0.38379823178671785,0.2339455828935645,0.23876019464053183,0.18328078952779112,0.2599461997121513
EOS-2-03535,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccccc5)n4)n23)cc1,HRMYEPNEGHXDDC-UHFFFAOYSA-N,2,1,0.465,67,755,451.45,3.216,6,0.376,0.71,1.0,0.44665375916660954,0.26475224453430196,0.11593619354396546,0.1189860187786992,0.23658205400589405
EOS-2-03536,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccc6)o5)n34)cn2)cn1,YKZYNSDIGIHBPR-UHFFFAOYSA-N,2,1,0.406,81,363,451.45,3.216,6,0.376,0.74,1.0,0.3153313686519087,0.2752038928106367,0.16373106709615518,0.1411315194297855,0.22384946199712152
EOS-2-03537,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)cn2)o1,PWDLKLYGDFWPEP-UHFFFAOYSA-N,2,1,0.447,67,622,451.45,3.738,6,0.386,0.69,1.0,0.3745716537591666,0.25466040710026727,0.23876876156534851,0.18328935645260777,0.2628225447193476
EOS-2-03538,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)nc2)cn1,KHWMWSGOBYQODZ-UHFFFAOYSA-N,2,1,0.4,80,855,451.45,3.216,6,0.376,0.75,1.0,0.3607275032554314,0.24473990816256597,0.26023747515591805,0.1941693509697759,0.26496855938592284
EOS-2-03539,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)no4)n23)cc1,KJZROAIKUNFXOF-UHFFFAOYSA-N,2,1,0.481,67,857,451.45,3.216,6,0.376,0.74,1.0,0.46048934274552805,0.31116784319100815,0.1187975464327325,0.12138475772736619,0.25295987252415875
EOS-2-03540,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnn(C)n4)cc3)n12,MUORACWEVMVOPJ-UHFFFAOYSA-N,2,1,0.346,9,340,451.45,3.312,6,0.388,0.67,1.0,0.3225361524227263,0.10491056130491398,0.3484082653690631,0.24641902542663285,0.25556850113083407
EOS-2-03541,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cc2)n[nH]1,AAJOTFGIIFFMBX-UHFFFAOYSA-N,2,1,0.54,40,2,451.45,3.514,6,0.404,0.64,1.0,0.6414656294976355,0.407185936536221,0.3075697347680077,0.24070488657391542,0.3992315468439449
EOS-2-03542,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cocn5)n4)n23)cc1,FUSVJRZKSBAFPL-UHFFFAOYSA-N,2,1,0.529,81,609,451.45,3.216,6,0.376,0.63,1.0,0.4396888492906586,0.2339541498183812,0.2170516071550956,0.1748937701322733,0.26639709409910217
EOS-2-03543,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n(C)n2)o1,MXEABUVVAIEKMN-UHFFFAOYSA-N,2,1,0.363,81,622,451.45,3.738,6,0.386,0.71,1.0,0.2593893495990679,0.16121239120005482,0.11292920293331506,0.10515043519978069,0.15967034473305464
EOS-2-03544,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(-c6ccno6)cn5)n34)c2)cn1,AMOFFJUWWRRASV-UHFFFAOYSA-N,2,1,0.518,80,200,451.45,3.216,6,0.376,0.67,1.0,0.2672366527311356,0.20896443012816118,0.4043074497978206,0.3034404770063738,0.29598725241587276
EOS-2-03545,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)o1,XKIPCUXQFOWTQN-UHFFFAOYSA-N,2,1,0.389,6,984,451.45,3.216,6,0.376,0.59,0.998,0.1463744774175862,0.022385374545952984,0.15402474127887053,0.12139332465218285,0.11104447947364814
EOS-2-03546,COc1ccn2c(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nnc2c1,VURDYTNWJOEDKC-UHFFFAOYSA-N,2,1,0.419,81,117,451.45,2.879,6,0.377,0.69,1.0,0.507735933109451,0.3597251730518813,0.24226406689054897,0.21732574874922897,0.33176273045027754
EOS-2-03547,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cocn6)n5)n34)cc2)n1,FNTJXXOIIMSCPA-UHFFFAOYSA-N,2,1,0.529,81,609,451.45,3.216,6,0.376,0.62,1.0,0.3990987595092865,0.2752124597354534,0.21039510657254473,0.15620930710712083,0.2602289082311014
EOS-2-03548,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5)n34)cn2)cn1,FBEUSJNSDXPPCO-UHFFFAOYSA-N,2,1,0.418,71,870,451.45,3.912,6,0.371,0.65,1.0,0.2564594613117675,0.19959221437872662,0.2824086765814543,0.22014426701391268,0.23965115482146526
EOS-2-03549,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)o1,JPRAUAAAOICZDQ-UHFFFAOYSA-N,2,1,0.381,6,34,451.45,3.216,6,0.376,0.62,0.976,0.14947570420121992,0.035449934891371396,0.20692550202179424,0.15349359194023712,0.13633618326365568
EOS-2-03550,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cccnc6)n5)n34)cc2)n[nH]1,IOADQBKZLTYCBH-UHFFFAOYSA-N,2,1,0.402,40,59,451.45,3.514,6,0.404,0.59,1.0,0.512687615653485,0.4300681927215407,0.18943184154615858,0.16166643821533822,0.32346352203413065
EOS-2-03551,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnco5)cn4)n23)cc1,IYASGKVETIMQCG-UHFFFAOYSA-N,2,1,0.568,40,25,451.45,3.216,6,0.376,0.6,1.0,0.4260074703584401,0.20897299705297787,0.2968353779727229,0.23487081077376465,0.2916716640394764
EOS-2-03552,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cccnc6)n5)n34)cc2)cn1,NZZYEPIHCMGSHS-UHFFFAOYSA-N,2,1,0.424,40,518,451.45,3.216,6,0.376,0.74,1.0,0.41208621753135494,0.33042629017887737,0.21706017407991227,0.18329792337742443,0.28571765129189225
EOS-2-03553,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cocn5)n4)n23)cc1,ZAYXSHSUKWOTKT-UHFFFAOYSA-N,2,1,0.452,40,355,451.45,3.216,6,0.376,0.63,1.0,0.47531868960318,0.23396271674319785,0.29684394489753957,0.2348793776985813,0.3102511822356247
EOS-2-03554,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)cn1,AHVPSQBJXXPYDP-UHFFFAOYSA-N,2,1,0.452,56,518,451.45,3.216,6,0.376,0.7,1.0,0.44909533273935986,0.2855870056884381,0.3406637653347954,0.25240730587348364,0.33193835240901925
EOS-2-03555,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cocn6)n5)n34)cn2)n1,YEYNTQFZJBUCRO-UHFFFAOYSA-N,2,1,0.473,6,297,451.45,3.216,6,0.376,0.57,1.0,0.32014598039887604,0.22419642245219656,0.21706874100472895,0.1562178740319375,0.22940725447193477
EOS-2-03556,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccoc5)c4)n23)cc1,ZDBWMLOPVMNUJY-UHFFFAOYSA-N,2,1,0.477,56,415,451.45,3.216,6,0.376,0.54,1.0,0.487595092865465,0.2041498183811939,0.28595538345555477,0.2407134534987321,0.30460343705023646
EOS-2-03557,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cc1,DGGDQVSJQOJPHA-UHFFFAOYSA-N,2,1,0.531,77,245,451.45,3.216,6,0.376,0.68,1.0,0.5126961825783017,0.23959118634774862,0.31133918168734154,0.24930607908984992,0.3282331574258105
EOS-2-03558,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)cn5)n34)cc2)o1,WAYVZDRQRAPZIC-UHFFFAOYSA-N,2,1,0.495,40,932,451.45,3.309,6,0.375,0.66,1.0,0.3277362757864437,0.2802412446028374,0.3443818107052293,0.24072202042354876,0.2982703378795148
EOS-2-03559,Cn1nc(-c2nnc3cncc(OCc4ccncc4)n23)cc1-c1ncnn1-c1ccccn1,POBMCFUPOLMFQG-UHFFFAOYSA-N,2,1,0.364,6,826,451.454,2.142,6,0.374,0.63,0.998,0.0797580700431773,0.02682304160098691,0.04843739291343979,0.048343156740456444,0.05084041532451511
EOS-2-03560,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnn(-c5ccccc5)n4)n23)cc1,CBWQHYFIZDWEGD-UHFFFAOYSA-N,2,1,0.449,67,288,451.454,2.142,6,0.374,0.63,1.0,0.3073726954972243,0.21383044342402852,0.04344287574532246,0.048351723665273114,0.15324943458296209
EOS-2-03561,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4n[nH]c(-c5ncccn5)n4)n23)cc1,ZOYPZDIAZPPFTA-UHFFFAOYSA-N,2,1,0.411,56,8,451.454,2.346,6,0.404,0.64,1.0,0.432561167843191,0.2647608114591186,0.08058049482557741,0.06904941402234253,0.21173797203755737
EOS-2-03562,Cn1cc(-c2cccc(Oc3cncc4nnc(-c5ccc(-c6ncn(C)n6)cn5)n34)n2)cn1,WKSKPTNVKIHSAG-UHFFFAOYSA-N,2,1,0.34,6,549,451.454,2.57,6,0.388,0.64,1.0,0.3153399355767254,0.18624494551435816,0.105013364402714,0.06557980947159207,0.1680445137413474
EOS-2-03563,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,FWRVEDBYIDIWDB-UHFFFAOYSA-N,2,1,0.436,56,425,451.454,2.346,6,0.404,0.66,1.0,0.39910732643410324,0.32131108217394283,0.03772873689260503,0.03591254883147146,0.19851492358303063
EOS-2-03564,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cn[nH]c5)n4)n23)cc1,GEBGNCFLLQWWKL-UHFFFAOYSA-N,2,1,0.489,56,415,451.454,2.346,6,0.404,0.71,1.0,0.3768932903844836,0.30601055445137415,0.13588856144198477,0.1257196216846001,0.23612800699061065
EOS-2-03565,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6c[nH]nn6)n5)n34)cn2)cn1,URWBAGAHYGUDIB-UHFFFAOYSA-N,2,1,0.406,6,843,451.454,2.346,6,0.404,0.54,1.0,0.22694640531834692,0.20898156397779452,0.17975121650332396,0.13431224727571792,0.1874978582687958
EOS-2-03566,COc1ncc(-c2nncn2C)cc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,YHZDSGPDWLVNEC-UHFFFAOYSA-N,2,1,0.301,98,765,451.454,2.442,6,0.419,0.64,1.0,0.19117949420875882,0.12081077376464944,0.12697895963265027,0.08907888424371188,0.1320120279624426
EOS-2-03567,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)nn1,LGPJTYWKHIJSLP-UHFFFAOYSA-N,2,1,0.458,56,425,451.454,2.346,6,0.404,0.63,1.0,0.32514049756699337,0.21887636214104586,0.13001165101775067,0.10315434171749709,0.19429571311082175
EOS-2-03568,Cn1nc(-c2ncccn2)cc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)nc3)n12,MWGZNVOGXKAXEI-UHFFFAOYSA-N,2,1,0.381,6,843,451.454,2.346,6,0.404,0.62,1.0,0.32514906449181,0.31624802960729215,0.07846446439586047,0.05938592282914125,0.19481187033102595
EOS-2-03569,CCn1cncc1-c1cncc(-c2nnc3cncc(-c4cc(-c5nnco5)nc(C)n4)n23)c1,VHPKZXPHKGNAHU-UHFFFAOYSA-N,2,1,0.227,86,812,451.454,2.885,6,0.384,0.55,0.691,0.06213590569529162,0.026831608525803578,0.07621136316907683,0.060936536220958126,0.05652885340278253
EOS-2-03570,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5nc[nH]n5)n4)n23)c1,MHOQEDJQLBKBRV-UHFFFAOYSA-N,2,1,0.427,81,506,451.454,2.346,6,0.404,0.55,1.0,0.25398362003975056,0.18625351243917485,0.12698752655746692,0.10515900212459735,0.16809591529024742
EOS-2-03571,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6nccn6)cn5)n34)nc2)cn1,JMAOBHCVPGUHTE-UHFFFAOYSA-N,2,1,0.4,6,549,451.454,2.141,6,0.374,0.67,1.0,0.16026146254540471,0.1208193406894661,0.15719450346103764,0.10732643410321431,0.1364004351997807
EOS-2-03572,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nc[nH]n6)n5)n34)cn2)cn1,BPNIPTOLJLTLEM-UHFFFAOYSA-N,2,1,0.412,6,584,451.454,2.346,6,0.404,0.64,1.0,0.30230107600575695,0.24474847508738262,0.1420567473099856,0.10097834281406347,0.19752116030429717
EOS-2-03573,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cccc(-n5nccn5)n4)n23)c1,XNOLRYHLCCIWRY-UHFFFAOYSA-N,2,1,0.384,6,843,451.454,2.142,6,0.374,0.7,0.999,0.0887790418751285,0.049319786169556575,0.10228051538619697,0.07482352134877664,0.07880071619491466
EOS-2-03574,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)c5)n34)cc2)nn1,FELSLYLKWDCQIB-UHFFFAOYSA-N,2,1,0.489,67,499,451.454,2.346,6,0.404,0.67,1.0,0.4491038996641765,0.3304348571036941,0.2278287985744637,0.19679082996367625,0.3010395963265026
EOS-2-03575,Cn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n1,KJMUPCFCRSIUPD-UHFFFAOYSA-N,2,1,0.396,56,350,451.454,2.346,6,0.404,0.55,1.0,0.3251576314166267,0.21383901034884517,0.1420653142348023,0.1298660132958673,0.20273199232403538
EOS-2-03576,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)[nH]n1,KWINNCHQISQOEZ-UHFFFAOYSA-N,2,1,0.375,6,297,451.454,2.346,6,0.404,0.6,1.0,0.2917123569323556,0.2496573230073333,0.0829792337742444,0.07083133438420944,0.17379506202453568
EOS-2-03577,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,PYTPAKLGXBQAGY-UHFFFAOYSA-N,2,1,0.432,56,425,451.454,2.346,6,0.404,0.73,1.0,0.36992838050853266,0.23959975327256527,0.1928586114728257,0.13432081420053457,0.23417688986361454
EOS-2-03578,Cc1ccccc1-n1cnnc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,WPHQXEOOURILEJ-UHFFFAOYSA-N,2,1,0.432,67,499,451.454,2.44,6,0.405,0.62,1.0,0.4628195462956617,0.3213196490987595,0.13002021794256732,0.12572818860941676,0.25997190048660135
EOS-2-03579,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cccc(-c5nnnn5C)c4)n23)cc1,JRKQNCLSDHKZHA-UHFFFAOYSA-N,2,1,0.538,67,789,451.454,2.57,6,0.388,0.77,1.0,0.33033205400589405,0.21384757727366185,0.10228908231101363,0.10733500102803098,0.18845092865465013
EOS-2-03580,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)cn1,FHFRWZVLGPMRNJ-UHFFFAOYSA-N,2,1,0.511,56,415,451.454,2.346,6,0.404,0.68,1.0,0.3514323898293469,0.254668974025084,0.267407991227469,0.1967993968884929,0.26757718799259816
EOS-2-03581,Cn1nc(-c2ccncc2)nc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,FMIYRNLNMDSBKE-UHFFFAOYSA-N,2,1,0.427,56,425,451.454,2.346,6,0.404,0.64,1.0,0.3949780686724693,0.27522102666027004,0.06172469330409156,0.05496538962374066,0.1967222945651429
EOS-2-03582,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)nn4)n23)cc1,OEONTWBONZLUDS-UHFFFAOYSA-N,2,1,0.375,67,789,451.454,2.57,6,0.388,0.6,1.0,0.3791378246864506,0.2089901309026112,0.08794805016791173,0.06558837639640874,0.18541609553834554
EOS-2-03583,CCc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(C)no6)cn5)n34)cn2)n[nH]1,YZPMKTFFEVLBRK-UHFFFAOYSA-N,2,1,0.264,86,812,451.454,2.954,6,0.414,0.52,1.0,0.1911880611335755,0.17778082379549037,0.02893050510588719,0.020157974093619354,0.1045143410321431
EOS-2-03584,Cn1cncc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,HOFJLOWHEXBMMH-UHFFFAOYSA-N,2,1,0.398,56,425,451.454,2.346,6,0.404,0.59,1.0,0.510160372832568,0.3060191213761908,0.130028784867384,0.09488725926941265,0.26027388458638884
EOS-2-03585,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)cn1,DNROVSNDQVHNTH-UHFFFAOYSA-N,2,1,0.442,6,502,451.454,2.346,6,0.404,0.63,1.0,0.4419762182167089,0.27004660407100267,0.1269960934822836,0.10316290864231376,0.23554545610307726
EOS-2-03586,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)nc1,CDARBNGDWROLKI-UHFFFAOYSA-N,2,1,0.402,6,843,451.454,2.142,6,0.374,0.61,1.0,0.15495853608388732,0.08924165581522857,0.13589712836680146,0.10098690973888014,0.12027105750119937
EOS-2-03587,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-n6cccn6)n5)n34)cn2)c1,AETZMNDNXOXPHT-UHFFFAOYSA-N,2,1,0.418,80,843,451.454,2.142,6,0.374,0.65,1.0,0.24610204920841613,0.19495750805290932,0.08058906175039408,0.0522668083064903,0.14347885682955247
EOS-2-03588,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nn4)n23)nc1,LXWCZXDBAIMJKA-UHFFFAOYSA-N,2,1,0.378,6,843,451.454,2.142,6,0.374,0.59,0.831,0.19370673702967584,0.12791275443766706,0.07417243506270989,0.05497395654855733,0.11269147076965252
EOS-2-03589,CCn1nc(C)nc1-c1cccc(-c2nnc3cncc(-c4cnc(-c5nnco5)nc4)n23)c1,YUYUXWMKSRAEDZ-UHFFFAOYSA-N,2,1,0.296,98,882,451.454,2.885,6,0.384,0.68,1.0,0.07742786649304366,0.04218353779727229,0.018915769995202524,0.017724967445685698,0.03906303543280104
EOS-2-03590,c1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6cnnc6)cn5)n34)cc2)n[nH]1,NSKMZZAWGAVNMO-UHFFFAOYSA-N,2,1,0.522,56,425,451.454,2.174,6,0.387,0.61,1.0,0.6991810019875265,0.39763381536563636,0.20328455897471043,0.15894215612363785,0.3647603831128778
EOS-2-03591,Cn1cnnc2cc-2cccc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,BWAHSLXZRVIUQF-UHFFFAOYSA-N,2,1,0.38,5,548,451.454,2.06,6,0.487,0.52,1.0,0.47532725652799673,0.36933726269618256,0.07201357000890961,0.014152559797135221,0.23270766225755604
EOS-2-03592,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nn4)n23)cc1,METLHSXIAMNNBW-UHFFFAOYSA-N,2,1,0.467,67,415,451.454,2.142,6,0.374,0.61,1.0,0.270089438695086,0.1818758138578576,0.09254848879446234,0.08022068398327736,0.1561836063326708
EOS-2-03593,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnn(-c6ccccc6)n5)n34)nc2)n1,YZOPCCQCAQFEOC-UHFFFAOYSA-N,2,1,0.378,71,288,451.454,2.142,6,0.374,0.59,0.916,0.08394729627852786,0.1244431498869166,0.043451442670139125,0.04054725515728874,0.07309728599821808
EOS-2-03594,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)cc2)n1,QOVXDASQQWGAGU-UHFFFAOYSA-N,2,1,0.753,67,104,451.454,2.142,6,0.374,0.69,1.0,0.1766585566445069,0.1904170379000754,0.06979473648139264,0.07083990130902611,0.12692755808375025
EOS-2-03595,Cn1nc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,BCVXUKKHUXXFHQ-UHFFFAOYSA-N,2,1,0.44,56,425,451.454,2.346,6,0.404,0.64,1.0,0.4120947844561716,0.31625659653210886,0.05592488520320746,0.05095606880954013,0.20880808375025703
EOS-2-03596,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)ncn2)cn1,RTHHQABWFDTBOQ-UHFFFAOYSA-N,2,1,0.433,56,425,451.454,2.346,6,0.404,0.67,1.0,0.344724487697896,0.24966588993214994,0.2170773079295456,0.1461089027482695,0.23939414707696524
EOS-2-03597,Cn1cc(-c2cccc(Oc3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)n2)cn1,CHQPGPMEHWIEPP-UHFFFAOYSA-N,2,1,0.43,67,789,451.454,2.57,6,0.388,0.75,1.0,0.32774484271126036,0.2447570420121993,0.1217788362689329,0.09688335275169625,0.1977910184360222
EOS-2-03598,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)nc5)n34)cc2)n1,BJLVQSHQZVDZJD-UHFFFAOYSA-N,2,1,0.517,56,415,451.454,2.142,6,0.374,0.68,1.0,0.3201545473236927,0.17778939072030703,0.14500376944691934,0.10317147556713042,0.1865297957645124
EOS-2-03599,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,IPWIVDAGWRHPMJ-UHFFFAOYSA-N,2,1,0.462,80,584,451.454,2.346,6,0.404,0.62,1.0,0.45608594338976083,0.28559557261325474,0.1243060790898499,0.0872112946336783,0.23829972243163594
EOS-2-03600,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)cn2)cn1,CKIHHNJPTKCBPS-UHFFFAOYSA-N,2,1,0.465,67,789,451.454,2.57,6,0.388,0.68,1.0,0.29716948804057297,0.22931087656774723,0.1540333082036872,0.1144883832499486,0.19875051401548902
EOS-2-03601,Cn1nc(-c2ncccn2)nc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,KSFNNHYJMMAIFO-UHFFFAOYSA-N,2,1,0.4,56,415,451.454,2.346,6,0.404,0.57,0.999,0.4537557398396272,0.35480775820711397,0.03116647248303749,0.03272565279967103,0.2181139058323624
EOS-2-03602,Cn1ncnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,KGSABVAOLFTSHX-UHFFFAOYSA-N,2,1,0.489,56,425,451.454,2.346,6,0.404,0.68,1.0,0.4053354807758207,0.21888492906586252,0.145012336371736,0.1095881022548146,0.21970521211705846
EOS-2-03603,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)cn5)n34)cc2)n1,TWXCXWYLZOTROO-UHFFFAOYSA-N,2,1,0.517,56,415,451.454,2.142,6,0.374,0.57,1.0,0.3128041258309917,0.22420498937701322,0.16373963402097183,0.1120125419779316,0.2031903228017271
EOS-2-03604,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1,FNEFWKKBXFUGNI-UHFFFAOYSA-N,2,1,0.512,67,499,451.454,2.346,6,0.404,0.7,1.0,0.5462099924611061,0.35003598108423,0.1997292851757933,0.1776437529984237,0.31840475292988824
EOS-2-03605,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cn1,DPPQUHDVBZFRCU-UHFFFAOYSA-N,2,1,0.433,6,547,451.454,2.142,6,0.374,0.58,1.0,0.157648550476321,0.15740010965663764,0.13003735179220066,0.10099547666369679,0.13652037214721402
EOS-2-03606,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cn1,QCVRWWZOTVKUJT-UHFFFAOYSA-N,2,1,0.412,56,350,451.454,2.346,6,0.404,0.71,1.0,0.3303406209307107,0.23960832019738196,0.18630491398807483,0.1364454115550682,0.22317481666780892
EOS-2-03607,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cn5)n34)n2)nn1,AWLXPKGGVWDAQM-UHFFFAOYSA-N,2,1,0.374,6,826,451.454,2.346,6,0.404,0.66,0.996,0.2269549722431636,0.1735401960112398,0.11293776985813173,0.09290829963676239,0.15158530943732437
EOS-2-03608,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5nc6ncccn6n5)n34)ccn2)cn1,IPWKHDNAOPZSSP-UHFFFAOYSA-N,2,1,0.43,75,530,451.454,2.011,6,0.37,0.55,1.0,0.44911246658899323,0.2959872524158728,0.021468713590569528,0.0217428551847029,0.19707782194503462
EOS-2-03609,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)n1,PNYHBSGALFVKNI-UHFFFAOYSA-N,2,1,0.404,6,502,451.454,2.346,6,0.404,0.61,1.0,0.37914639161126723,0.29599581934068947,0.09038962374066205,0.07670824480844356,0.21056001987526557
EOS-2-03610,Cn1cnnc1-c1nccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n1,KGFSOCAWJDDUTL-UHFFFAOYSA-N,2,1,0.455,56,415,451.454,2.346,6,0.404,0.61,1.0,0.45376430676444385,0.33528373654992805,0.07847303132067714,0.0748320882735933,0.2355882907271606
EOS-2-03611,CN=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)o1,ITEXVNRDIADTCA-UHFFFAOYSA-N,2,1,0.305,25,791,451.454,2.162,6,0.43,0.42,1.0,0.08184839969844425,0.0607309300253581,0.08298780069906106,0.07282742786649304,0.07459863957233911
EOS-2-03612,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cn1,FXQDBPJCQDZOPL-UHFFFAOYSA-N,2,1,0.4,56,425,451.454,2.346,6,0.404,0.64,1.0,0.3969827290795696,0.2700551709958193,0.15118052223973683,0.1031800424919471,0.23034961620176825
EOS-2-03613,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnnn6C)nc5)n34)cc2)cn1,WZPYBHOSRXHYMQ-UHFFFAOYSA-N,2,1,0.452,71,870,451.454,2.57,6,0.388,0.76,1.0,0.24073058734836544,0.17354876293605648,0.13004591871701734,0.12362929202933315,0.1669886402576931
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EOS-2-03619,FC(F)Oc1ccc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)cc1,ZPJFSJIDBMPAHW-UHFFFAOYSA-N,2,1,0.724,1,640,451.458,5.095,5,0.343,0.8,1.0,0.8180727845932424,0.8628606675347817,0.8252090329655267,0.7841734630936879,0.8225789870468097
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EOS-2-03623,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cs2)cc1,IXMMFECDIXKSEU-UHFFFAOYSA-N,2,1,0.529,1,92,451.458,4.781,5,0.37,0.72,1.0,0.8800887533411007,0.89980981426907,0.8217051607155096,0.754643273250634,0.8390617503940785
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EOS-2-03635,Cc1ncc(-c2cc(F)c(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)s1,BTESEDCDOQEDTG-UHFFFAOYSA-N,2,1,0.517,65,904,451.462,3.913,5,0.387,0.65,1.0,0.6751764786512233,0.6963539167980262,0.5210746350490028,0.4956394352683161,0.5970611164416421
EOS-2-03636,CC(F)(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)nn4)n23)cc1,NYTGPGJTBMXQSP-UHFFFAOYSA-N,2,1,0.488,27,51,451.462,4.396,5,0.378,0.7,1.0,0.7537266122952505,0.6718268110479062,0.8106024261531081,0.7068655335480776,0.7357553457610857
EOS-2-03637,FC(F)c1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)n1,SRWUGGGGQHQKKX-UHFFFAOYSA-N,2,1,0.477,75,496,451.462,4.264,5,0.365,0.7,1.0,0.6534593242409704,0.5804605578781441,0.5244757042012199,0.4621084915358783,0.5551260194640532
EOS-2-03638,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c2)cs1,JHIDEEPZXIQLJE-UHFFFAOYSA-N,2,1,0.495,2,265,451.462,3.913,5,0.387,0.66,1.0,0.6782434377355905,0.6044993489137139,0.5904752929888287,0.5457473785210061,0.6047413645397848
EOS-2-03639,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(F)n5)n34)ccn2)cs1,AJOYIEXFEIDFSB-UHFFFAOYSA-N,2,1,0.5,58,819,451.462,3.913,5,0.362,0.73,0.997,0.7508995271057501,0.6571859365362209,0.42939997258584056,0.40810259749160444,0.5613970084298541
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EOS-2-03643,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)sc1F,CNLZEMWNOQXGSS-UHFFFAOYSA-N,2,1,0.511,58,699,451.462,3.913,5,0.387,0.66,1.0,0.6596275101089712,0.7015454732369268,0.27499828661503667,0.2822544719347543,0.47960643547392223
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EOS-2-03661,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cn(C)nn6)c5)n34)cc2F)cn1,WOBUDYVRLHPVPD-UHFFFAOYSA-N,2,1,0.337,25,764,451.469,3.793,6,0.405,0.62,1.0,0.154967103008704,0.2396168871221986,0.6242975121650333,0.6054160098690974,0.40607437804125834
EOS-2-03662,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cnn(-c5cccnc5)c4)n23)n1C,FPRRYYYXWTVTLH-UHFFFAOYSA-N,2,1,0.281,10,673,451.469,3.887,6,0.404,0.69,1.0,0.002381605099033651,0.10170653142348023,0.30757830169282435,0.37027962442601603,0.19548651566033856
EOS-2-03663,Cc1nn(C)c(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cn3)n12,RMFAQHIEOYUGOS-UHFFFAOYSA-N,2,1,0.295,96,693,451.469,4.091,6,0.433,0.56,0.978,0.10846583510383113,0.23397128366801453,0.38962374066205196,0.4337776711671578,0.29145963265026387
EOS-2-03664,CCn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(F)c1,FRPMDDFGLKQDPN-UHFFFAOYSA-N,2,1,0.295,9,7,451.469,4.266,6,0.42,0.62,1.0,0.2945822767459393,0.33044342402851073,0.5937735590432458,0.5686296347063258,0.4468572236310054
EOS-2-03665,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cc5F)n34)cc2)cn1,CSURNCKPZKKGCE-UHFFFAOYSA-N,2,1,0.359,9,642,451.469,3.793,6,0.405,0.68,1.0,0.17114145706257283,0.31627373038174217,0.6003272565279967,0.5779932835309437,0.4164339318758139
EOS-2-03666,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nncn5C)ccc4F)n23)cc1,TVQIVEMHFJWYBT-UHFFFAOYSA-N,2,1,0.359,67,642,451.469,3.793,6,0.405,0.71,1.0,0.2296706874100473,0.3060362552258241,0.5036152422726338,0.49250394078541565,0.38295653142348024
EOS-2-03667,Cc1nc(-c2ccc(F)cn2)c(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)n1C,SQPYYLCXDCIJKB-UHFFFAOYSA-N,2,1,0.261,10,195,451.469,3.887,6,0.404,0.67,0.801,0.010177506682201357,0.09222294565142897,0.2104036734973614,0.2880457131108217,0.15021245973545336
EOS-2-03668,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4)n23)c(F)c1,ZTXUDXXVFIRIRC-UHFFFAOYSA-N,2,1,0.333,42,762,451.469,3.793,6,0.405,0.75,1.0,0.2672452196559523,0.34020115139469537,0.45149407168802685,0.4177489548351724,0.3691723493934618
EOS-2-03669,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cc2)n1C,IFYJVWUSTVOYPN-UHFFFAOYSA-N,2,1,0.357,3,150,451.469,3.887,6,0.404,0.76,1.0,0.022316839147419644,0.194966074977726,0.3896323075868686,0.4305479405112741,0.2593657905558221
EOS-2-03670,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cnn(C)c4-c4ccc(F)cc4)n23)nc1,PUIKRRNKRBAJJN-UHFFFAOYSA-N,2,1,0.364,98,572,451.469,3.793,6,0.405,0.72,1.0,0.13582002604345145,0.2546861078747173,0.472560139812213,0.48643855801521485,0.33737620793639916
EOS-2-03671,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cc5)nn4C)n23)cc1,BJTLHWVISLYGEM-UHFFFAOYSA-N,2,1,0.405,9,42,451.469,3.793,6,0.405,0.65,1.0,0.18547392228085807,0.35482489205674733,0.2968525118223562,0.3508841066410801,0.29700885820026046
EOS-2-03672,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cn4)n23)n1C,DYMNQERWHWZSHH-UHFFFAOYSA-N,2,1,0.284,32,572,451.469,4.091,6,0.433,0.61,0.765,0.16597560139812212,0.2647693783839353,0.3113477486121582,0.3769275580837503,0.2797550716194915
EOS-2-03673,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4)n23)c(F)c1,LOYPGMURCWEREN-UHFFFAOYSA-N,2,1,0.329,9,642,451.469,3.793,6,0.405,0.67,1.0,0.2564680282365842,0.3111764101158248,0.48654992803783154,0.48027893907203073,0.38361832636556786
EOS-2-03674,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)sc1-c1ccccc1,RBLIEFCYVNZPSO-UHFFFAOYSA-N,2,1,0.409,21,452,448.526,6.993,6,0.292,0.75,1.0,0.32254471934754303,0.47865122335686383,0.8992101295319033,0.9291686656157906,0.6573936844630252
EOS-2-03675,Fc1ccc(-c2ccsc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,NJLLBJYIYAQIES-UHFFFAOYSA-N,2,1,0.42,21,107,448.526,6.993,6,0.292,0.73,1.0,0.40332225344390377,0.5804691248029608,0.9249194709067233,0.9491724350627099,0.7144708210540744
EOS-2-03676,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)cc2)c1,ZPSMUSWKJUBIBQ-UHFFFAOYSA-N,2,1,0.417,21,958,448.526,6.993,6,0.292,0.78,1.0,0.33277362757864437,0.4741021862792132,0.952624905763827,0.9662120485230622,0.6814281920361867
EOS-2-03677,Fc1ccc(-c2cscc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,YGBSACUSMUUGRF-UHFFFAOYSA-N,2,1,0.433,21,107,448.526,6.993,6,0.292,0.8,1.0,0.34923069015146324,0.4918785552737989,0.9401000616818587,0.9586645877595779,0.6849684737166747
EOS-2-03678,Fc1cc(-c2ccsc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,PORPVAYHWMAWNS-UHFFFAOYSA-N,2,1,0.397,21,107,448.526,6.993,6,0.292,0.82,1.0,0.3560756630799808,0.487466588993215,0.9476817901446097,0.9617144129943116,0.6882346138030293
EOS-2-03679,Fc1cc(-c2cccs2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,GSLXBENKNPATAH-UHFFFAOYSA-N,2,1,0.38,21,107,448.526,6.993,6,0.292,0.77,1.0,0.37690185730930026,0.5331282982660545,0.9387636214104585,0.9536872044410938,0.7006202453567267
EOS-2-03680,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cccs5)cc4)n23)ccc1-c1ccccc1,KNXZSBYYGORNRF-UHFFFAOYSA-N,2,1,0.373,21,695,448.526,6.993,6,0.292,0.82,1.0,0.36292920293331504,0.5014563772188335,0.937975464327325,0.9536957713659104,0.689014203961346
EOS-2-03681,Fc1sccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,VLJYWQGZPGZJAE-UHFFFAOYSA-N,2,1,0.431,21,810,448.526,6.993,6,0.292,0.72,1.0,0.3607360701802481,0.4521280241244603,0.9454201219930094,0.9569255020217943,0.678802429579878
EOS-2-03682,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)ccc1-c1ccccc1,AGUHOYWZTOQITB-UHFFFAOYSA-N,2,1,0.38,21,695,448.526,6.993,6,0.292,0.79,1.0,0.3838067987115345,0.5194554862586526,0.9394147076965252,0.9537043382907272,0.6990953327393599
EOS-2-03683,Cc1nnc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cn2)s1,ZVILGFNETXWIIP-UHFFFAOYSA-N,2,1,0.286,86,780,451.479,2.927,6,0.394,0.67,1.0,0.07743643341786033,0.12792132136248371,0.02357617709546981,0.02510108971283668,0.06350875539716264
EOS-2-03684,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)nc2)s1,MRQHWUJUDRQNCJ-UHFFFAOYSA-N,2,1,0.263,86,165,451.479,2.927,6,0.394,0.58,1.0,0.02912754437667055,0.06484305393735865,0.06980330340620931,0.07484065519840997,0.05965363922966212
EOS-2-03685,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cc2)cs1,ODZYFUPKHNMWJG-UHFFFAOYSA-N,2,1,0.311,38,532,448.515,4.742,6,0.384,0.71,1.0,0.06384929065862519,0.13472345966691796,0.41099821807963816,0.38608560071276815,0.24891414227948738
EOS-2-03686,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncs6)n5)n34)cc2)n1,ZMOWIRFIECHIEE-UHFFFAOYSA-N,2,1,0.303,38,270,448.515,4.742,6,0.384,0.66,1.0,0.07550887533411006,0.1612209581248715,0.3189037763004592,0.33176273045027754,0.22184908505242956
EOS-2-03687,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)s1,UTZDJDSWTXWRCE-UHFFFAOYSA-N,2,1,0.318,38,787,448.515,4.742,6,0.384,0.72,1.0,0.0397333972997053,0.11154992803783154,0.28956205880337194,0.31610239188540884,0.18923694400657942
EOS-2-03688,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)nc5)n34)cc2)cn1,IDSSTYQAQJUDJY-UHFFFAOYSA-N,2,1,0.329,32,57,448.515,4.742,6,0.384,0.67,1.0,0.07154238914399287,0.16122952504968815,0.4444006579398259,0.4046672606401206,0.27045995819340685
EOS-2-03689,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)s1,ZDTFTXGLXKDTOE-UHFFFAOYSA-N,2,1,0.297,32,191,448.515,4.742,6,0.384,0.68,0.999,0.027988143376053733,0.10839729970529778,0.1480193269823864,0.19680796381330956,0.12030318346926186
EOS-2-03690,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)s5)n34)cc2)n1,OQMIRILFRCIYRQ-UHFFFAOYSA-N,2,1,0.297,42,57,448.515,4.742,6,0.384,0.7,1.0,0.0484887944623398,0.1279298882873004,0.3558700568843808,0.35089267356589676,0.22079535329997946
EOS-2-03691,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6csnn6)c5)n34)cc2)n1,MDOQQKRCIYFWSD-UHFFFAOYSA-N,2,1,0.307,9,598,448.515,4.742,6,0.384,0.7,1.0,0.04116407374408882,0.0792269207045439,0.47256870673702966,0.47739188540881367,0.26758789664861904
EOS-2-03692,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)ns1,GDUNDDNVRZWFBB-UHFFFAOYSA-N,2,1,0.345,38,479,448.515,4.742,6,0.384,0.73,1.0,0.06957199643615927,0.11740970461243232,0.2750068535398533,0.30345761085600714,0.191361541361113
EOS-2-03693,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cc2)nn1,SIQODEKZSLKLHN-UHFFFAOYSA-N,2,1,0.333,9,98,448.515,4.742,6,0.384,0.7,1.0,0.09608662874374614,0.1777979576451237,0.41463916112672194,0.41775752175998904,0.27657031731889525
EOS-2-03694,Cc1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cn2)ccn1,AGSMBDWWOZMAGT-UHFFFAOYSA-N,2,1,0.259,42,174,448.515,4.742,6,0.384,0.69,1.0,0.05852923034747447,0.1115584949626482,0.45519498320882734,0.44295284764580906,0.2670588890411898
EOS-2-03695,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)nn1,CBLYCXNJUNUIMM-UHFFFAOYSA-N,2,1,0.341,38,193,448.515,4.742,6,0.384,0.68,1.0,0.1273901720238503,0.17355732986087313,0.2635186073607018,0.3003221163731067,0.216197056404633
EOS-2-03696,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)n1,NYDXPSNXLIQWMG-UHFFFAOYSA-N,2,1,0.329,9,894,448.515,4.742,6,0.384,0.73,1.0,0.05005654170379001,0.08925022274004524,0.47949934891371393,0.4621256253855116,0.2702329346857652
EOS-2-03697,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)cc2)n1,KUKIWGMLYYPPCL-UHFFFAOYSA-N,2,1,0.333,38,983,448.515,4.742,6,0.384,0.7,1.0,0.05853779727229114,0.1384929065862518,0.37088787608799945,0.3539853334247139,0.23047597834281408
EOS-2-03698,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5)s4)n23)nc1,OGIBBSXRDQTABO-UHFFFAOYSA-N,2,1,0.312,30,301,448.515,4.742,6,0.384,0.77,0.999,0.04117264066890549,0.06485162086217532,0.2635271742855185,0.3282845589747104,0.17445899869782744
EOS-2-03699,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)n1,SQWJFCKDAOHWIU-UHFFFAOYSA-N,2,1,0.31,9,894,448.515,4.742,6,0.384,0.7,1.0,0.04118120759372216,0.08608902748269481,0.4865584949626482,0.4802875059968474,0.2735290590089781
EOS-2-03700,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnsn6)cc5)n34)cc2)n1,GTFVWNNNKCAEFT-UHFFFAOYSA-N,2,1,0.319,9,98,448.515,4.742,6,0.384,0.63,1.0,0.06558837639640874,0.07923548762936057,0.44072544719347545,0.4526334726886437,0.2595456959769721
EOS-2-03701,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)cn1,DCKATLKSDXTBME-UHFFFAOYSA-N,2,1,0.341,38,983,448.515,4.742,6,0.384,0.66,1.0,0.06214447262010828,0.14582619422931944,0.44440922486464257,0.4046758275649373,0.2642639298197519
EOS-2-03702,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)ccn2)s1,RORRBCLJHDPWKJ-UHFFFAOYSA-N,2,1,0.311,38,787,448.515,4.742,6,0.384,0.72,1.0,0.06958056336097594,0.12793845521211705,0.28242581043108766,0.3189637447741759,0.19972714344458914
EOS-2-03703,Cc1csc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cccnn6)n5)n34)cc2)n1,AHNHBHIYYDNAMY-UHFFFAOYSA-N,2,1,0.307,38,270,448.515,4.742,6,0.384,0.72,1.0,0.06035398533342472,0.13850147351106848,0.30035638407237336,0.2940939620313892,0.19832645123706394
EOS-2-03704,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)nc2)n1,IVPVHVFWBWFCRX-UHFFFAOYSA-N,2,1,0.312,70,687,448.515,4.742,6,0.384,0.7,0.995,0.07976663696799396,0.1144626824754986,0.35587862380919744,0.35399390034953054,0.22602546090055514
EOS-2-03705,Cc1nc(-c2ccnnc2)cc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)n1,PPVBFHSUDMGPIH-UHFFFAOYSA-N,2,1,0.295,38,193,448.515,4.742,6,0.384,0.65,1.0,0.16850284421903913,0.13851004043588513,0.4222894249880063,0.42408847919950654,0.28834769721060927
EOS-2-03706,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5scnc5-c5ccccn5)n34)cn2)c1,JUJLQWPFBJWXIF-UHFFFAOYSA-N,2,1,0.305,32,392,448.515,4.742,6,0.384,0.66,1.0,0.05685868000822425,0.09549551093139606,0.2786649304365705,0.3129411966280584,0.1859900795010623
EOS-2-03707,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)cs1,WJSKSQSOBUDICT-UHFFFAOYSA-N,2,1,0.289,38,270,448.515,4.742,6,0.384,0.74,1.0,0.058546364197107806,0.12794702213693374,0.40790555822082103,0.38975224453430196,0.24603779727229114
EOS-2-03708,Cc1nc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cs1,MAKZJAPEDXLANP-UHFFFAOYSA-N,2,1,0.357,93,757,448.515,4.742,6,0.384,0.74,0.999,0.1408573778356521,0.16907682818175587,0.21371050647659517,0.282263038859571,0.20147693783839354
EOS-2-03709,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)nn1,BWUUARCYCUEORD-UHFFFAOYSA-N,2,1,0.307,38,270,448.515,4.742,6,0.384,0.75,1.0,0.03974196422452197,0.1279555890617504,0.38224761839490096,0.3540024672743472,0.22598690973888014
EOS-2-03710,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)s2)nn1,RNTWVJCPWAKVRG-UHFFFAOYSA-N,2,1,0.31,38,270,448.515,4.742,6,0.384,0.71,1.0,0.11084744020286479,0.16513604276608868,0.322467617024193,0.31294976355287507,0.2278502158865054
EOS-2-03711,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccccc5-c5cncnc5)n34)cc2)s1,VQZTWMBECUCALC-UHFFFAOYSA-N,2,1,0.297,9,598,448.515,4.742,6,0.384,0.66,1.0,0.04557604002467274,0.1017150983482969,0.3787266122952505,0.4081111644164211,0.2335322287711603
EOS-2-03712,Cc1ccc(-c2ccnc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)c2)nn1,SCIGJSCOLCTCFP-UHFFFAOYSA-N,2,1,0.26,69,174,448.515,4.742,6,0.384,0.71,1.0,0.02913611130148722,0.0757401823041601,0.4332893564526078,0.42747241450209034,0.24140951614008638
EOS-2-03713,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)cc2)nn1,OHNMIRWOJXWPTE-UHFFFAOYSA-N,2,1,0.322,38,270,448.515,4.742,6,0.384,0.76,1.0,0.04849736138715647,0.13121102049208416,0.36699849222123226,0.3509012404907135,0.2244020286477966
EOS-2-03714,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cn2)s1,PCNRLGFCUGAMDK-UHFFFAOYSA-N,2,1,0.293,38,57,448.515,4.742,6,0.384,0.78,1.0,0.053234870810773764,0.1458347611541361,0.33371598930847785,0.3737492289767665,0.22663371256253856
EOS-2-03715,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)s2)nn1,KANYYGBJMINALZ-UHFFFAOYSA-N,2,1,0.329,38,865,448.515,4.742,6,0.384,0.68,1.0,0.13031149338633405,0.16908539510657256,0.3859399629908848,0.37693612500856694,0.2655682441230896
EOS-2-03716,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(=O)n(C)s4)n23)ccc1F,JHXCOSZSTKUPCE-UHFFFAOYSA-N,2,1,0.484,26,911,451.487,3.153,5,0.394,0.66,1.0,0.45827907614282776,0.469775889246796,0.27501542046467,0.2556456034541841,0.36467899732711945
EOS-2-03717,COCCn1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cn2)c1,HTVIYGFQXXHHIS-UHFFFAOYSA-N,2,1,0.423,7,464,448.512,3.04,5,0.357,0.76,1.0,0.277799671030087,0.1385186073607018,0.059634363648824615,0.03491021862792132,0.12771571516688368
EOS-2-03718,c1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)cc1,APJYFHSSHWBHLM-UHFFFAOYSA-N,2,1,0.33,30,93,448.511,5.769,6,0.333,0.69,1.0,0.1966366253169762,0.16514460969090536,0.4829346857651977,0.4894626824754986,0.33354465081214446
EOS-2-03719,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)cn2)cc1,RFPBOZRIJPOVJN-UHFFFAOYSA-N,2,1,0.287,32,20,448.511,5.349,6,0.391,0.71,0.999,0.20205948872592694,0.1862620793639915,0.6623517922006716,0.6610239188540882,0.4279243197861695
EOS-2-03720,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc(-c4cscn4)cn3)n12,XNOFYYNVXDQHQT-UHFFFAOYSA-N,2,1,0.365,32,20,451.49,5.178,6,0.367,0.7,1.0,0.19119662805839216,0.402568364060037,0.6946747995339593,0.7178997327119457,0.5015848810910836
EOS-2-03721,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cn5)n34)cc2)ccn1,VKUZABIEXDSMLI-UHFFFAOYSA-N,2,1,0.289,69,174,451.49,5.178,6,0.344,0.69,1.0,0.1494842711260366,0.3304519909533274,0.7487492289767665,0.7651206223014186,0.4984515283393873
EOS-2-03722,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)nc5)n34)cc2)c1,AXBDTKSCKGYXPH-UHFFFAOYSA-N,2,1,0.329,32,57,451.49,5.178,6,0.367,0.72,1.0,0.2620793639915016,0.40719450346103764,0.7556113357549175,0.7723511068466863,0.5493090775135357
EOS-2-03723,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)ccn1,ZGAQFACQVVXDAP-UHFFFAOYSA-N,2,1,0.338,69,57,451.49,5.178,6,0.344,0.8,1.0,0.2104807758207114,0.3643256116784319,0.7232197930230965,0.7153039544924954,0.5033325337536838
EOS-2-03724,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)nc5)n34)ccn2)cc1,JEGSWIJOWLXZTE-UHFFFAOYSA-N,2,1,0.365,32,20,451.49,5.178,6,0.367,0.72,1.0,0.20206805565074362,0.4391062984031252,0.6647505311493387,0.7013741347405935,0.5018247549859502
EOS-2-03725,Fc1cc(-c2nnc3cncc(-c4ncc(-c5ccccc5)s4)n23)ccc1-c1cncnc1,XVZLDPJVTRBJLF-UHFFFAOYSA-N,2,1,0.354,30,696,451.49,5.178,6,0.367,0.63,1.0,0.22697210609279692,0.38358405866630113,0.672966212048523,0.7283085463641971,0.5029577307929546
EOS-2-03726,Fc1cc(-c2nnc3cncc(-c4cccc(-c5ccccn5)c4)n23)ccc1-c1csnn1,PVCUKMLLIRPQCK-UHFFFAOYSA-N,2,1,0.341,69,923,451.49,5.178,6,0.367,0.77,1.0,0.14638304434240285,0.270063737920636,0.7338085120964979,0.7817918579946542,0.4830117880885477
EOS-2-03727,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccsc5)nn4)n23)ccc1-c1cccnc1,WYXDVDDTZFWPLZ-UHFFFAOYSA-N,2,1,0.364,42,572,451.49,5.178,6,0.367,0.74,1.0,0.24611061613323282,0.36433417860324857,0.7310670961551642,0.7723596737715029,0.5284678911657871
EOS-2-03728,Fc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,GTWOBUHJOUEHLT-UHFFFAOYSA-N,2,1,0.333,69,696,451.49,5.178,6,0.367,0.74,1.0,0.24889486669864985,0.41673805770680555,0.787394626824755,0.7909756013981222,0.5610007881570831
EOS-2-03729,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)c1,NFQHNVCZFUQIBH-UHFFFAOYSA-N,2,1,0.325,32,818,451.49,5.178,6,0.367,0.69,1.0,0.2539921869645672,0.3835926255911178,0.7533668014529504,0.7723682406963196,0.5408299636762387
EOS-2-03730,Fc1cc(-c2nnc3cncc(-c4ccnc(-c5ccccn5)c4)n23)ccc1-c1cncs1,MIYMLPVGHDFHNZ-UHFFFAOYSA-N,2,1,0.359,32,299,451.49,5.178,6,0.367,0.71,1.0,0.2889366732917552,0.4025769309848537,0.7258241381673635,0.7392913439791653,0.5391572716057844
EOS-2-03731,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)s1,XVFCOXXVBPELFV-UHFFFAOYSA-N,2,1,0.359,93,641,451.49,5.178,6,0.367,0.76,1.0,0.20207662257556028,0.40258549790967035,0.5143067644438353,0.6233894181344665,0.4355895757658831
EOS-2-03732,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c1,LICDQIRUWKXNIO-UHFFFAOYSA-N,2,1,0.39,32,20,451.49,5.178,6,0.367,0.73,0.998,0.20774792680419438,0.3643427455280652,0.6359399629908848,0.6901000616818587,0.4745326742512508
EOS-2-03733,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)s2)nn1,PPHQOLXLGDEPDJ-UHFFFAOYSA-N,2,1,0.316,30,541,451.49,5.178,6,0.367,0.71,0.703,0.18826673977109176,0.3009732026591735,0.5715852237680762,0.6438043999725859,0.4261573915427318
EOS-2-03734,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nc2)s1,BTRTVJYUIQFGIR-UHFFFAOYSA-N,2,1,0.338,30,515,451.49,5.178,6,0.367,0.69,0.997,0.26208793091631827,0.35004454800904666,0.6094767322321979,0.6696850798437393,0.47282357275032555
EOS-2-03735,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccncc5)s4)n23)cc1,UKRXOUZXBFTGBN-UHFFFAOYSA-N,2,1,0.342,32,515,451.49,5.178,6,0.367,0.7,1.0,0.23800630525666508,0.3836011925159345,0.6729747789733397,0.7339712836680146,0.5071383901034885
EOS-2-03736,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)cc1,DEZKQDUMJIVCBI-UHFFFAOYSA-N,2,1,0.365,32,20,451.49,5.178,6,0.367,0.73,0.998,0.2131193886642451,0.402594064834487,0.6481221300801864,0.7013827016654102,0.49130457131108213
EOS-2-03737,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)s5)n34)cn2)cc1,NPPKSSHGDDQNLU-UHFFFAOYSA-N,2,1,0.351,32,20,451.49,5.178,6,0.367,0.74,1.0,0.1966451922417929,0.44335549311219247,0.6003358234528133,0.6524741278870536,0.47320265917346305
EOS-2-03738,Fc1cc(-c2nnc3cncc(-c4cncc(-c5ccsc5)c4)n23)ccc1-c1cncnc1,UDRYCEGYIMXWFB-UHFFFAOYSA-N,2,1,0.342,42,106,451.49,5.178,6,0.367,0.69,1.0,0.28343670755945444,0.3787608799945172,0.8407151668836954,0.852177712288397,0.588772616681516
EOS-2-03739,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)ccc1-c1nccs1,TXYFCPNFOXZHFB-UHFFFAOYSA-N,2,1,0.355,69,867,451.49,5.178,6,0.367,0.76,1.0,0.29459084367075594,0.43481426906997467,0.6759475018847234,0.6816273730381742,0.521744996915907
EOS-2-03740,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)cn2)ccn1,LUZIORXMNRXIIP-UHFFFAOYSA-N,2,1,0.304,32,20,451.49,5.178,6,0.344,0.69,1.0,0.17666712356932354,0.27523816050990335,0.6094852991570145,0.6667723254060722,0.4320407271605784
EOS-2-03741,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)cs2)cc1,BLZBVNRXGYHPGA-UHFFFAOYSA-N,2,1,0.329,32,20,451.49,5.178,6,0.367,0.8,1.0,0.11919162497429922,0.33530087039956136,0.6268761565348503,0.6932012884654924,0.44364248509355086
EOS-2-03742,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)s2)cc1,ZYHXOKRPZAQSMD-UHFFFAOYSA-N,2,1,0.316,30,737,451.49,5.178,6,0.367,0.83,0.998,0.127398738948667,0.31118497704064146,0.5036238091974505,0.6411315194297855,0.3958347611541361
EOS-2-03743,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cn2)cc1,WBVZRJXJKHJCBC-UHFFFAOYSA-N,2,1,0.375,32,20,451.49,5.178,6,0.367,0.74,1.0,0.17390000685353985,0.39765094921526967,0.7127681447467618,0.7443372626961826,0.5071640908779385
EOS-2-03744,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)s1,WUQAXQZRKKGQBG-UHFFFAOYSA-N,2,1,0.337,32,368,451.49,5.178,6,0.344,0.65,1.0,0.2269806730176136,0.4167466246316222,0.6154478788294154,0.6351860736070181,0.4735903125214173
EOS-2-03745,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)nc1,VBTMIUDRMPGDGY-UHFFFAOYSA-N,2,1,0.356,69,867,451.49,5.178,6,0.367,0.68,1.0,0.267253786580769,0.37876944691933384,0.6921646905626756,0.6985984510999932,0.5091965937906928
EOS-2-03746,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)ccn1,UFSURVWYVYJTJS-UHFFFAOYSA-N,2,1,0.384,93,651,451.49,5.178,6,0.344,0.7,1.0,0.21048934274552805,0.354833458981564,0.5579895140840244,0.6610324857789048,0.44608620039750535
EOS-2-03747,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nc2)n1,GPPHVQOGJCPRHO-UHFFFAOYSA-N,2,1,0.347,42,818,451.49,5.178,6,0.344,0.76,1.0,0.33034918785552736,0.392767802069769,0.6647590980741553,0.6901086286066753,0.5194961791515318
EOS-2-03748,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnsc5)cn4)n23)cc1,BFUVTBCNXCBXKC-UHFFFAOYSA-N,2,1,0.365,32,20,451.49,5.178,6,0.367,0.62,1.0,0.22967925433486397,0.3740919059694332,0.6921732574874923,0.7470786786375163,0.5107557741073265
EOS-2-03749,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)cn2)cc1,PAAFDXHOVFXLJX-UHFFFAOYSA-N,2,1,0.375,32,20,451.49,5.178,6,0.367,0.75,1.0,0.18548248920567473,0.3927763689945857,0.7258327050921801,0.7572733191693509,0.5153412206154478
EOS-2-03750,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)cn1,OBQYTPCKDYBCMK-UHFFFAOYSA-N,2,1,0.394,93,651,451.49,5.178,6,0.344,0.76,1.0,0.18827530669590845,0.36934582962099927,0.5515386196970735,0.6610410527037215,0.44255020217942564
EOS-2-03751,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)nc1,IIVQLUJURUXOAR-UHFFFAOYSA-N,2,1,0.351,32,479,451.49,5.178,6,0.367,0.69,1.0,0.2407391542731821,0.38360975944075115,0.7127767116715784,0.7283171132890138,0.5163606846686314
EOS-2-03752,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)nc1,NCEBUUAPTKBGOU-UHFFFAOYSA-N,2,1,0.356,69,894,451.49,5.178,6,0.367,0.77,1.0,0.1685114111438558,0.27524672743472,0.7576673977109177,0.7888510040435885,0.49756913508327055
EOS-2-03753,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,RYVJENCEXYCRQY-UHFFFAOYSA-N,2,1,0.333,30,220,451.49,5.178,6,0.367,0.81,1.0,0.10355698718388047,0.2752552943595367,0.7232283599479131,0.7747241450209033,0.4691911966280584
EOS-2-03754,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncn6)s5)n34)cn2)cc1,XJYRTKLEJIGBET-UHFFFAOYSA-N,2,1,0.351,32,126,451.49,5.178,6,0.367,0.73,1.0,0.21049790967034473,0.4479130971146597,0.6946833664587759,0.7312384346514975,0.5210832019738194
EOS-2-03755,Fc1cc(-c2nncs2)cnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,UTFDQCGXDQOWAQ-UHFFFAOYSA-N,2,1,0.37,93,651,451.49,5.178,6,0.367,0.7,1.0,0.2593979165238846,0.3976595161400864,0.6243060790898499,0.7098896580083613,0.49781329244054556
EOS-2-03756,C#Cc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncn5CC)c(O)c4)n23)c1,CRHPBWOLSYDRHQ-UHFFFAOYSA-N,2,1,0.452,26,619,451.49,3.378,5,0.378,0.62,0.996,0.4419847851415256,0.25469467479953395,0.5143153313686519,0.39257932972380233,0.4008935302583784
EOS-2-03757,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)nc2)n1,CHMOVFFHTXZZOV-UHFFFAOYSA-N,2,1,0.329,32,191,451.49,5.178,6,0.344,0.55,1.0,0.2860924542526215,0.42552772256870675,0.626884723459667,0.6497498457953533,0.49706368651908706
EOS-2-03758,Fc1ccccc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5nccs5)cc4)n23)cn1,KNZUAWSRBXRIRI-UHFFFAOYSA-N,2,1,0.37,69,484,451.49,5.178,6,0.367,0.8,1.0,0.16851997806867247,0.32591152080049346,0.6328387362072511,0.6958913028579261,0.4557903844835858
EOS-2-03759,Fc1cc(-c2nnc3cncc(-c4nncc(-c5ccsc5)n4)n23)ccc1-c1ccccc1,CUAJEQYADVKLMA-UHFFFAOYSA-N,2,1,0.35,30,774,451.49,5.178,6,0.367,0.78,1.0,0.2647436776094853,0.3693543965458159,0.6359485299157015,0.7339798505928312,0.5010066136659586
EOS-2-03760,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cn2)cc1,OZZHLZGGZVWBPE-UHFFFAOYSA-N,2,1,0.37,69,152,451.49,5.178,6,0.367,0.79,1.0,0.08185696662326092,0.2960129531903228,0.7556199026797341,0.8022411075320403,0.4839327325063395
EOS-2-03761,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)c2)cn1,AFHBGAAOIIIAPC-UHFFFAOYSA-N,2,1,0.299,32,126,451.49,5.178,6,0.367,0.69,1.0,0.17390857377835653,0.2960215201151395,0.5969261873757796,0.6351946405318347,0.4255127304502776
EOS-2-03762,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)nn5)n34)nc2)c1,IKCHAQPYXWLJTQ-UHFFFAOYSA-N,2,1,0.333,32,301,451.49,5.178,6,0.367,0.79,0.985,0.1408659447604688,0.28561270646288806,0.664767664998972,0.739299910903982,0.45763655678157766
EOS-2-03763,Fc1nscc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc1,NDYPUQDUISCHQJ-UHFFFAOYSA-N,2,1,0.391,41,818,451.49,5.178,6,0.367,0.65,1.0,0.25647659516140087,0.3882101980673018,0.7533753683777671,0.7651291892262353,0.5407978377081762
EOS-2-03764,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)cc1,CKYUPKYEHIYQAT-UHFFFAOYSA-N,2,1,0.333,64,449,451.49,5.178,6,0.367,0.77,0.989,0.2620964978411349,0.35484202590638064,0.5969347543005963,0.687410047289425,0.4753208313343842
EOS-2-03765,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(-c3ccc(-c4csnn4)cc3)n12,ZNJMKAAPIPGHAQ-UHFFFAOYSA-N,2,1,0.347,69,38,451.49,5.178,6,0.367,0.73,1.0,0.1358285929682681,0.3060448221506408,0.7982746213419231,0.8271280241244603,0.516819015146323
EOS-2-03766,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)cn5)n34)cc2)nc1,GMLZKYLCUJTHLZ-UHFFFAOYSA-N,2,1,0.351,32,818,451.49,5.178,6,0.367,0.63,1.0,0.27505825508875337,0.3500531149338633,0.7533839353025837,0.7723768076211364,0.5377180282365842
EOS-2-03767,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cc1,ZOFXODQQQFEXEJ-UHFFFAOYSA-N,2,1,0.365,69,152,451.49,5.178,6,0.367,0.71,1.0,0.10356555410869714,0.30098176958399014,0.6946919333835926,0.7651377561510521,0.46609425330683296
EOS-2-03768,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)nc4)n23)nc1,GHZSYJYYCNQQCJ-UHFFFAOYSA-N,2,1,0.342,32,191,451.49,5.178,6,0.344,0.68,1.0,0.31013124528819136,0.45213659104927695,0.6729833458981564,0.690117195531492,0.5313420944417793
EOS-2-03769,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)cc1,JULPEDVOZQFMBI-UHFFFAOYSA-N,2,1,0.373,93,74,451.49,5.178,6,0.367,0.81,1.0,0.1382787334658351,0.3259200877253101,0.7487577959015832,0.802249674456857,0.5038015728873964
EOS-2-03770,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cn2)c1,YWYFSKIYLUJYLE-UHFFFAOYSA-N,2,1,0.387,32,20,451.49,5.178,6,0.367,0.77,1.0,0.1711500239873895,0.4072030703858543,0.7127852785963951,0.747087245562333,0.509556404632993
EOS-2-03771,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)nc2)c1,OHZSRUUYARCBSM-UHFFFAOYSA-N,2,1,0.363,32,20,451.49,5.178,6,0.367,0.77,1.0,0.14949283805085326,0.3213282160235762,0.6921818244123089,0.7393084778287986,0.47557783907888423
EOS-2-03772,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4nnc(-c5ccccc5)s4)n23)cc1,PBUKDVZUELGCEP-UHFFFAOYSA-N,2,1,0.351,93,641,451.49,5.178,6,0.367,0.67,1.0,0.14380439997258584,0.35973373997669794,0.4407340141182921,0.5812829826605441,0.38138878418203
EOS-2-03773,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccn4)n23)s1,NQKPJJZEWHTRDK-UHFFFAOYSA-N,2,1,0.316,32,368,451.49,5.178,6,0.344,0.68,1.0,0.1882838736207251,0.3693629634706326,0.5413268453156055,0.5872969638818449,0.42156766157220205
EOS-2-03774,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccsc5)c4)n23)cn1,IRCRQRYVXCUELS-UHFFFAOYSA-N,2,1,0.35,32,693,451.49,5.178,6,0.367,0.57,0.999,0.22411932012884656,0.38821876499211844,0.7310756630799808,0.7796758275649373,0.5307723939414708
EOS-2-03775,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)s2)nc1,JZYCLLUVURCVKY-UHFFFAOYSA-N,2,1,0.348,76,368,451.49,5.178,6,0.367,0.69,1.0,0.21867932287026248,0.4167551915564389,0.5872969638818449,0.6262422040984168,0.4622434206017408
EOS-2-03776,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)s2)nc1,PHEYWYRNHGSLAI-UHFFFAOYSA-N,2,1,0.303,32,368,451.49,5.178,6,0.367,0.73,0.999,0.2105064765951614,0.340209718319512,0.6567233225961209,0.6932098553903091,0.47516234322527584
EOS-2-03777,Fc1nc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4cncs4)cn3)n12,RGDPNPNYBZKXPX-UHFFFAOYSA-N,2,1,0.366,30,93,451.49,5.178,6,0.344,0.66,1.0,0.21312795558906175,0.35974230690151465,0.6213333561784662,0.6610496196285381,0.46381330957439515
EOS-2-03778,Fc1ccnc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cs2)c1,LANAEXUFCBXHEO-UHFFFAOYSA-N,2,1,0.347,32,126,451.49,5.178,6,0.367,0.71,1.0,0.1522256870673703,0.36435131245288194,0.5681156192173258,0.6290350215886505,0.4284319100815571
EOS-2-03779,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnc(C)s5)n34)nc2F)n(C)n1,FKAGDNOZTAYJNQ-UHFFFAOYSA-N,2,1,0.426,31,773,451.491,2.816,5,0.363,0.53,0.999,0.394986635597286,0.36937153039544923,0.020749091905969432,0.016525597971352203,0.2004082139675142
EOS-2-03780,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)nn1,NINXWQJHFJXSRS-UHFFFAOYSA-N,2,1,0.362,21,810,451.493,5.454,6,0.354,0.75,1.0,0.307381262422041,0.3597508738263313,0.8375711054759784,0.8553817421698308,0.5900212459735453
EOS-2-03781,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)cn1,PWSKJSYPHXDLOH-UHFFFAOYSA-N,2,1,0.357,93,651,451.493,5.454,6,0.354,0.8,1.0,0.24074772119799875,0.3009903365088068,0.8566068124186142,0.860479062435748,0.564705983140292
EOS-2-03782,N#Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)c1,YBQHPKUGBMXEIQ-UHFFFAOYSA-N,2,1,0.347,93,651,451.493,5.454,6,0.354,0.78,1.0,0.20775649372901103,0.28024981152765405,0.8738348982249332,0.8844407511479679,0.5615704886573916
EOS-2-03783,CCn1c(-c2cccs2)nnc1-c1cncc2nnc(-c3cnc(-c4nn[nH]n4)s3)n12,NZLYPZOTCFBXSU-UHFFFAOYSA-N,2,1,0.25,99,754,448.501,2.435,6,0.421,0.62,0.64,0.03527002947022137,0.015386196970735384,0.0015077787677335343,0.0010194640531834692,0.013295867315468439
EOS-2-03784,Cc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)n(C)n2)nc1,YTSPQEFRCNDLOL-UHFFFAOYSA-N,2,1,0.288,98,193,448.494,3.358,6,0.407,0.59,1.0,0.033993557672537866,0.04578164622027277,0.21041224042217804,0.18058220821054075,0.11769241313138235
EOS-2-03785,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cn5)n34)cc2)n(C)n1,UIHNTSYVAIICCX-UHFFFAOYSA-N,2,1,0.324,98,714,448.494,3.358,6,0.407,0.71,1.0,0.077445000342677,0.04579021314508944,0.19625111370022616,0.15622644095675417,0.11892819203618668
EOS-2-03786,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cn(C)nc5-c5ccccc5)n34)cn2)n(C)n1,NMALUMFFZDCUEK-UHFFFAOYSA-N,2,1,0.299,98,522,448.494,3.358,6,0.407,0.77,0.999,0.04408539510657254,0.024681310396819957,0.06767013912685903,0.07671681173326023,0.053288414090877936
EOS-2-03787,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)nc5)n34)nc2)n1C,GULQCOVFCJSZIH-UHFFFAOYSA-N,2,1,0.282,70,968,448.494,3.358,6,0.407,0.65,1.0,0.09362792132136248,0.07229627852785964,0.2563909259132342,0.1833064903022411,0.15140540401617436
EOS-2-03788,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnn(C)n6)cc5)n34)nc2)n1C,MWRRSAQEGZLUGM-UHFFFAOYSA-N,2,1,0.303,98,725,448.494,3.358,6,0.407,0.68,1.0,0.1825954355424577,0.0892587896648619,0.23877732849016517,0.17490233705709,0.1713834726886437
EOS-2-03789,CCn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnc(C)cn6)cc5)n34)cn2)cn1,YBQRQAKQETZETF-UHFFFAOYSA-N,2,1,0.272,42,151,448.494,3.626,6,0.397,0.74,1.0,0.006108217394284148,0.020157974093619354,0.24947741758618328,0.19417791789459254,0.11748038174216983
EOS-2-03790,Cc1nccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5C)n34)cn2)n1,KKCKWOKDAYFSQS-UHFFFAOYSA-N,2,1,0.264,86,151,448.494,3.451,6,0.407,0.71,1.0,0.0035981084230004797,0.010768624494551435,0.21042080734699473,0.15623500788157083,0.09525563703652937
EOS-2-03791,CCn1nc(-c2ccccn2)cc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,MZNOBURJHIEFQG-UHFFFAOYSA-N,2,1,0.288,98,193,448.494,3.532,6,0.397,0.68,1.0,0.04409396203138921,0.026840175450620247,0.09979610718936331,0.11202110890274827,0.07068783839353027
EOS-2-03792,CCn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)c5)n34)cc2)cn1,MAHBDAIVUNQKKZ-UHFFFAOYSA-N,2,1,0.304,25,508,448.494,3.532,6,0.397,0.71,1.0,0.08632890137756151,0.053114933863340416,0.20693406894661093,0.20272770886162703,0.13727640326228496
EOS-2-03793,CCn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc(C)n[nH]5)cc4)n23)n1,XPVBYXZYJVCRJK-UHFFFAOYSA-N,2,1,0.264,98,193,448.494,3.83,6,0.426,0.59,1.0,0.1060242615310808,0.08609759440751148,0.16048420259063806,0.16408231101363854,0.12917209238571722
EOS-2-03794,Cc1c(-c2nnc3cncc(-c4ccc(-c5cn(C)nn5)cn4)n23)c(-c2ccccc2)nn1C,OIWZTOBYMZPQGV-UHFFFAOYSA-N,2,1,0.307,98,746,448.494,3.358,6,0.407,0.61,1.0,0.014024055924885204,0.018444589130285793,0.0830049345486944,0.09490439311904598,0.05259449318072784
EOS-2-03795,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)nn1,JQMRFOJGNFMRNW-UHFFFAOYSA-N,2,1,0.5,77,603,448.49,3.957,6,0.383,0.72,1.0,0.4347628675210746,0.3060533890754575,0.5681241861421424,0.5023216366253169,0.4528155198409979
EOS-2-03796,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cc5)n34)cc2)o1,KSBWBMQJGNIBDW-UHFFFAOYSA-N,2,1,0.333,9,98,448.49,4.526,6,0.391,0.75,1.0,0.16027859639503803,0.10491912822973065,0.35216057843876364,0.28227160578438765,0.22490747721198
EOS-2-03797,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)ccn2)cn1,LSVCJYWVCUJFJY-UHFFFAOYSA-N,2,1,0.461,6,603,448.49,3.957,6,0.383,0.78,1.0,0.35374545952984715,0.2138561441984785,0.6032657117401138,0.5124905763827017,0.4208394729627853
EOS-2-03798,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)c2)cn1,OYXUETNWXSYXSJ-UHFFFAOYSA-N,2,1,0.5,77,190,448.49,4.161,6,0.411,0.64,1.0,0.5539287917209239,0.3927849359194024,0.7127938455212117,0.6322133506956343,0.5729302309642931
EOS-2-03799,Cn1ncc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)c1-c1ccccn1,UEKHDRVWHQPVFF-UHFFFAOYSA-N,2,1,0.456,28,603,448.49,3.957,6,0.383,0.75,1.0,0.3049996573230073,0.15368206428620382,0.4007350421492701,0.3860941676375848,0.31137773284901654
EOS-2-03800,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)cc1,KLBYZDYHEGNVGC-UHFFFAOYSA-N,2,1,0.506,67,722,448.49,4.385,6,0.389,0.77,1.0,0.41894832430950585,0.3402182852443287,0.5380542800356384,0.4743420601740799,0.44289073744088825
EOS-2-03801,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cc5)n34)cc2)cn1,AKKLCRNJJFNAHP-UHFFFAOYSA-N,2,1,0.532,41,722,448.49,4.385,6,0.389,0.67,1.0,0.3721215132615996,0.2752638612843534,0.577856212733877,0.4743506270988966,0.4248980535946817
EOS-2-03802,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)n[nH]1,FJJZWPJQVJNMOZ-UHFFFAOYSA-N,2,1,0.5,77,603,448.49,4.255,6,0.409,0.71,1.0,0.5462185593859228,0.3453327393598794,0.5210832019738195,0.4493352066342266,0.4654924268384621
EOS-2-03803,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cc2)cn1,DWZQWKQOTMSCEC-UHFFFAOYSA-N,2,1,0.518,77,190,448.49,3.957,6,0.383,0.75,1.0,0.4701442670139127,0.29603008703995615,0.6298660132958673,0.532802755123021,0.4822107806181893
EOS-2-03804,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)n1,ZIWFUAZBLUBZOQ-UHFFFAOYSA-N,2,1,0.506,77,603,448.49,3.957,6,0.383,0.73,1.0,0.5845041463916113,0.34534130628469606,0.5681327530669591,0.4894712494003153,0.49686236378589543
EOS-2-03805,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)cc2)cn1,SHPHTSMQJBKLTQ-UHFFFAOYSA-N,2,1,0.506,77,190,448.49,4.161,6,0.411,0.7,1.0,0.5731615379343431,0.39279350284421904,0.7232369268727298,0.6380731272702351,0.5818162737303818
EOS-2-03806,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cn1,FNVPWYKNHSDYLE-UHFFFAOYSA-N,2,1,0.44,6,603,448.49,3.957,6,0.383,0.69,1.0,0.4537728736892605,0.29102700294702216,0.4757556027688301,0.40811973134123775,0.4071688026865876
EOS-2-03807,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)cc1,XUGCRVRMIVDLNL-UHFFFAOYSA-N,2,1,0.612,40,722,448.49,4.385,6,0.389,0.69,1.0,0.5285107257898705,0.3453498732095127,0.4795079158385306,0.38610273456240146,0.4348678123500788
EOS-2-03808,Cn1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)nc4)n23)c(-c2ccccc2)n1,LZJHBGHYPARSRC-UHFFFAOYSA-N,2,1,0.478,77,177,448.49,3.957,6,0.383,0.66,1.0,0.2353334247138647,0.09851106846686314,0.3595624014803646,0.3380936878897951,0.2578751456377219
EOS-2-03809,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccccc4-n4cccn4)n23)c1,WCPADYHJBBVMOA-UHFFFAOYSA-N,2,1,0.457,77,177,448.49,3.957,6,0.383,0.71,1.0,0.34236858337331233,0.14973271194571997,0.5244842711260366,0.4556661640737441,0.36806293262970324
EOS-2-03810,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cc5)n34)c2)o1,MCLDSZWKUSYWAJ-UHFFFAOYSA-N,2,1,0.329,9,598,448.49,4.526,6,0.391,0.71,1.0,0.1602871633198547,0.08926735658967858,0.33703995613734494,0.27627475841272015,0.21571730861489957
EOS-2-03811,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1,ZDNGXTWYQULDFJ-UHFFFAOYSA-N,2,1,0.524,77,603,448.49,3.957,6,0.383,0.7,1.0,0.5257350421492701,0.30099890343362345,0.5279881433760537,0.47435919402371324,0.45727032074566515
EOS-2-03812,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)c1,VTFRMSCRMDBVSA-UHFFFAOYSA-N,2,1,0.495,40,932,448.49,3.957,6,0.383,0.65,1.0,0.35144095675416354,0.2138647111232952,0.5482060859433897,0.465081214447262,0.3946482420670276
EOS-2-03813,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)n6C)o5)n34)cc2)n1,OTDLFQWSNWMUSD-UHFFFAOYSA-N,2,1,0.312,38,193,448.49,4.526,6,0.391,0.7,0.995,0.12458878760879995,0.06073949695017476,0.2032931258995271,0.19681653073812624,0.14635948529915702
EOS-2-03814,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)cc1,DSSZGKAYUVUQOB-UHFFFAOYSA-N,2,1,0.523,40,932,448.49,3.957,6,0.383,0.63,1.0,0.3769104242341169,0.2339798505928312,0.5413354122404221,0.45264203961346033,0.4012169316702076
EOS-2-03815,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)n1C,ZHGXYXZBXCJSNO-UHFFFAOYSA-N,2,1,0.465,9,722,448.49,4.683,6,0.411,0.67,1.0,0.5127047495031184,0.37410047289424986,0.5482146528682065,0.45567473099856076,0.47267365156603386
EOS-2-03816,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cc5)n34)cc2)n1,ZBEXDJRQOMCKAM-UHFFFAOYSA-N,2,1,0.489,77,933,448.49,3.957,6,0.383,0.7,1.0,0.4949112466588993,0.27527242820917003,0.6268932903844836,0.5159002124597355,0.47824429442807204
EOS-2-03817,c1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cn5)n34)cc2)c1,UBBOXMVAZUVZAT-UHFFFAOYSA-N,2,1,0.58,41,592,451.511,5.754,6,0.321,0.72,1.0,0.4604979096703447,0.43911486532794186,0.7361472825714481,0.6958998697827428,0.5829149818381194
EOS-2-03818,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cccs6)no5)n34)cc2)cc1,YRZNCJXNWKFRKR-UHFFFAOYSA-N,2,1,0.543,12,285,451.511,5.754,6,0.321,0.75,1.0,0.6271245973545336,0.5563789322184909,0.6213419231032828,0.632221917620451,0.6092668425741896
EOS-2-03819,COc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)s3)n12,NIROAWMSVAFSMB-UHFFFAOYSA-N,2,1,0.31,30,93,451.511,5.85,6,0.327,0.72,1.0,0.337605373175245,0.12796415598656707,0.6838633404153245,0.6380816941950518,0.4468786409430471
EOS-2-03820,CNCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ccn2)s1,LILJHPICMUJQJS-UHFFFAOYSA-N,2,1,0.451,75,496,448.487,3.142,5,0.405,0.69,1.0,0.4347714344458913,0.33046055787814405,0.3042029333150572,0.2584641217188678,0.33197476183949015
EOS-2-03821,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)c2)s1,KTGQHKAFVKVCLR-UHFFFAOYSA-N,2,1,0.505,87,142,448.487,3.477,5,0.389,0.62,1.0,0.512713316427935,0.5240387910355698,0.19973785210060996,0.16674662463162224,0.35080914604893426
EOS-2-03822,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnc(C)s5)c(F)n4)n23)ccn1,PMDRZFUDJRVFSW-UHFFFAOYSA-N,2,1,0.446,31,237,448.487,3.477,5,0.364,0.6,0.998,0.5307638270166541,0.5240473579603866,0.1328730039065177,0.11449695017476527,0.32554528476458094
EOS-2-03823,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5C#N)n34)nc2)cc1,JWDWKFFRJUOIMS-UHFFFAOYSA-N,2,1,0.56,79,198,448.486,4.355,5,0.365,0.8,0.998,0.6596446439586047,0.5331368651908711,0.7810808032348708,0.6901257624563086,0.6659970187101638
EOS-2-03824,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)o1,NYDPUMYPWYHSEJ-UHFFFAOYSA-N,2,1,0.536,77,603,448.486,5.124,6,0.352,0.69,1.0,0.5731701048591598,0.4120433829072716,0.7338170790213145,0.6352032074566514,0.5885584435610993
EOS-2-03825,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)cc1,CJMQKYOLIPBXKL-UHFFFAOYSA-N,2,1,0.494,77,933,448.486,5.124,6,0.352,0.68,1.0,0.5786272359673772,0.32133678294839285,0.7208467548488795,0.6233979850592831,0.5610521897059831
EOS-2-03826,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cc5)n34)cc2)n[nH]1,VRAOVCVIKVIRPR-UHFFFAOYSA-N,2,1,0.506,77,427,451.515,4.884,6,0.388,0.66,1.0,0.6596532108834213,0.5563874991433075,0.6595332739359879,0.6086286066753478,0.6210506476595161
EOS-2-03827,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)s2)nc1,PQGPDXZUFXYMDE-UHFFFAOYSA-N,2,1,0.461,28,297,451.515,4.68,6,0.366,0.67,1.0,0.27265094921526967,0.17780652456994037,0.4146477280515386,0.39258789664861904,0.3144232746213419
EOS-2-03828,c1cnn(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cn5)n34)cc2)c1,ULQJJDPDTYPDNX-UHFFFAOYSA-N,2,1,0.554,40,932,451.515,4.68,6,0.366,0.64,1.0,0.32016311424850935,0.2242135563018299,0.57478925364951,0.5190528407922692,0.4095546912480296
EOS-2-03829,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)nc2)c1,TXISCJGXMRXWCZ-UHFFFAOYSA-N,2,1,0.56,41,25,451.515,4.68,6,0.366,0.6,1.0,0.40990165170310466,0.40721163731067095,0.5841529024741279,0.5255808375025701,0.4817117572476184
EOS-2-03830,c1csc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cn2)c1,UCGXJGOICILSSF-UHFFFAOYSA-N,2,1,0.465,28,297,451.515,4.68,6,0.366,0.73,1.0,0.3629377698581317,0.35006168185868003,0.538062846960455,0.4864471249400315,0.4343773559043245
EOS-2-03831,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccc6ccccc6n5)c4)n23)cs1,BMCZUORCPBTTIJ-UHFFFAOYSA-N,2,1,0.505,28,891,451.515,4.745,6,0.374,0.79,1.0,0.38381536563635116,0.37410903981906657,0.31135631553697485,0.309985607566308,0.34481658213967514
EOS-2-03832,c1cc(-c2cnc3ccccc3n2)cc(-c2nnc3cncc(OCCc4cncs4)n23)c1,RGXGPULLLARCHN-UHFFFAOYSA-N,2,1,0.524,28,891,451.515,4.48,6,0.369,0.73,1.0,0.5872969638818449,0.5240559248852033,0.3224761839490097,0.3572493317798643,0.44776960112398057
EOS-2-03833,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)c1,AWHGTYIGYXQWLH-UHFFFAOYSA-N,2,1,0.547,40,120,451.515,4.68,6,0.366,0.67,1.0,0.38382393256116787,0.3836183263655678,0.5180076759646357,0.4556832979233774,0.43528330820368716
EOS-2-03834,c1csc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)cc2)c1,MVCGBSMFXGYTRK-UHFFFAOYSA-N,2,1,0.512,77,427,451.515,4.884,6,0.388,0.67,1.0,0.6271331642793503,0.4827033787951477,0.6647762319237887,0.635211774381468,0.6024561373449386
EOS-2-03835,Cc1csc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc(C)o6)c5)n34)cc2)n1,CSOVLBYLZFVMCC-UHFFFAOYSA-N,2,1,0.315,9,598,451.515,5.249,6,0.361,0.71,1.0,0.13828730039065176,0.18189294770749093,0.32248475087382633,0.28805428003563843,0.23267981975190188
EOS-2-03836,COc1ccc(-n2nccc2-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cc1,REVOAAFBDDFDIB-UHFFFAOYSA-N,2,1,0.405,3,787,451.515,4.776,6,0.375,0.7,1.0,0.09609519566856281,0.09223151257624564,0.5072733191693509,0.4429614145706257,0.2846403604961963
EOS-2-03837,c1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nc2)cn1,UFAUWYDPWHMUQM-UHFFFAOYSA-N,2,1,0.523,40,25,451.515,4.68,6,0.366,0.64,1.0,0.3721300801864163,0.32592865465012677,0.6269018573093003,0.5717822630388596,0.47418571379617575
EOS-2-03838,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)s2)nn1,ONNNLTQMJSAUDC-UHFFFAOYSA-N,2,1,0.305,38,270,451.515,5.249,6,0.361,0.61,1.0,0.17967411417997395,0.23398841751764787,0.38594852991570144,0.33177129737509425,0.2828455897471044
EOS-2-03839,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)cc2)c1,CZWDGGMPGSDXPS-UHFFFAOYSA-N,2,1,0.512,77,603,451.515,4.68,6,0.366,0.67,1.0,0.523207799328353,0.43912343225275857,0.6032742786649304,0.5589318758138578,0.5311343465149749
EOS-2-03840,c1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)cc2)nn1,BXIGLVSCQMOOKN-UHFFFAOYSA-N,2,1,0.524,77,190,451.515,4.68,6,0.366,0.73,1.0,0.40122335686382016,0.2752809951339867,0.6567318895209375,0.6206822698923994,0.488479627852786
EOS-2-03841,COCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)cc2)s1,CNJWUDBJZZACIL-UHFFFAOYSA-N,2,1,0.622,43,909,448.483,4.174,5,0.369,0.77,1.0,0.6900829278322254,0.7522016996778836,0.4655095606880954,0.4556918648481941,0.5908715132615997
EOS-2-03842,COc1cc(-c2nnc3cncc(OCc4ncc(F)s4)n23)ccc1-c1ccc(C)nc1,LFCSFOUZRUEXEO-UHFFFAOYSA-N,2,1,0.529,4,83,448.483,4.345,5,0.382,0.59,1.0,0.6563121102049209,0.6963624837228428,0.5448050167911727,0.40468439448975396,0.5755410013021726
EOS-2-03843,COc1nc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1cscn1,AYUSDOUXQQPBAH-UHFFFAOYSA-N,2,1,0.6,49,703,448.483,4.079,5,0.371,0.62,1.0,0.6782520046604071,0.5998989102871634,0.43702453567267496,0.3769446919333836,0.5230300356384072
EOS-2-03844,COc1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1-c1nsc(C)n1,BSKHLUSEGXLLSP-UHFFFAOYSA-N,2,1,0.565,43,521,448.483,4.345,5,0.382,0.78,1.0,0.6840946473853745,0.6621547529298882,0.4930779247481324,0.4212014255362895,0.5651321876499211
EOS-2-03845,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nccs1,JQZAFGSEBBRSKC-UHFFFAOYSA-N,2,1,0.528,35,777,448.483,4.079,5,0.371,0.74,1.0,0.8207713659104928,0.7477725995476664,0.5681413199917758,0.44934377355904326,0.6465072647522445
EOS-2-03846,COCc1ncc(-c2cccc(-c3nnc4cncc(OCc5sccc5F)n34)c2)cn1,FMOOMVNYWNVOCN-UHFFFAOYSA-N,2,1,0.511,16,969,448.483,4.174,5,0.369,0.67,1.0,0.5647402508395586,0.642202385031869,0.5311407717085875,0.4714207388115962,0.5523760365979028
EOS-2-03847,COc1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1cscn1,GWTWFRCGKMJULB-UHFFFAOYSA-N,2,1,0.533,11,777,448.483,4.079,5,0.347,0.65,1.0,0.847534439037763,0.7778939072030704,0.5180162428894524,0.41463916112672194,0.6395209375642519
EOS-2-03848,OCc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cc1F,ZSMCOQVPHCJQHQ-UHFFFAOYSA-N,2,1,0.417,18,840,448.483,3.563,5,0.406,0.66,1.0,0.5101689397573846,0.3882273319169351,0.5482232197930231,0.5088496333356178,0.4888672812007402
EOS-2-03849,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc(C)s6)c5)n34)cc2)n[nH]1,IIDKIDTYBAHJMI-UHFFFAOYSA-N,2,1,0.303,9,598,451.519,4.379,6,0.423,0.71,1.0,0.07977520389281063,0.12445171681173325,0.17975978342814064,0.17491090398190665,0.1397244020286478
EOS-2-03850,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)nn5C)n34)cc2)s1,RILFLKCRAOBDSV-UHFFFAOYSA-N,2,1,0.366,9,598,451.519,4.081,6,0.398,0.7,1.0,0.04850592831197313,0.08610616133232815,0.06173326022890823,0.08370742238366116,0.07001319306421766
EOS-2-03851,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)nn6)cn5)n34)cc2)cs1,MXEBABBKCXRBLO-UHFFFAOYSA-N,2,1,0.287,38,193,451.519,4.081,6,0.398,0.73,1.0,0.0315091494757042,0.07924405455417723,0.25639949283805086,0.2291823726954972,0.14908376739085738
EOS-2-03852,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)s2)nn1,CSMIXRSIMBRLMD-UHFFFAOYSA-N,2,1,0.313,76,14,451.519,4.081,6,0.398,0.63,0.693,0.07155095606880954,0.10492769515454732,0.1637482009457885,0.1483962716743198,0.1221557809608663
EOS-2-03853,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cnn(C)c6)c5)n34)nc2)cs1,DBSWLUVVLORCFX-UHFFFAOYSA-N,2,1,0.253,70,967,451.519,4.081,6,0.398,0.69,0.995,0.019326982386402576,0.03545850181618806,0.3261256939209102,0.27312213008018643,0.16350832705092183
EOS-2-03854,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cn(C)nn6)c5)n34)cc2)s1,ZLUYDFGNASALDK-UHFFFAOYSA-N,2,1,0.316,9,764,451.519,4.081,6,0.398,0.68,1.0,0.03018984305393736,0.06843259543554246,0.21371907340141183,0.22015283393872936,0.13312358645740524
EOS-2-03855,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)cn5)n34)cn2)cs1,WOYDIJLFOCSHLM-UHFFFAOYSA-N,2,1,0.329,70,191,451.519,4.081,6,0.398,0.71,0.999,0.0485144952367898,0.11156706188746487,0.22082105407442945,0.18331505722705776,0.14105441710643546
EOS-2-03856,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)nc5)n34)cc2)s1,GUJICZXWIFQUQS-UHFFFAOYSA-N,2,1,0.305,9,339,451.519,4.081,6,0.398,0.68,1.0,0.02446713727640326,0.0723048454526763,0.24227263381536562,0.22291995065451306,0.14049114179973957
EOS-2-03857,CCn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3ccnnc3-c3ccccc3)n12,HZXHKHCNXRNCPO-UHFFFAOYSA-N,2,1,0.291,8,474,451.519,4.255,6,0.386,0.56,0.992,0.06036255225824138,0.045798780069906106,0.046826811047906244,0.11202967582756494,0.06625445480090467
EOS-2-03858,Cc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)n2)s1,IDFQRLQIOWLIOB-UHFFFAOYSA-N,2,1,0.31,76,259,451.519,4.081,6,0.398,0.66,0.971,0.07551744225892673,0.11741827153724899,0.14802789390720308,0.1510263175930368,0.1229974813241039
EOS-2-03859,Cc1nccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)cn2)n1,YPTUIEZXEYYSLD-UHFFFAOYSA-N,2,1,0.292,38,150,451.519,4.174,6,0.396,0.68,1.0,0.011710986224384894,0.045807346994722775,0.2315811116441642,0.19146220272770886,0.12014041189774519
EOS-2-03860,N#Cc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)n2)c1,AAQYCAYDBHJKAS-UHFFFAOYSA-N,2,1,0.294,10,952,448.475,3.429,6,0.402,0.6,0.974,0.013355835789185115,0.049328353094373244,0.24948598451099993,0.3445274484271126,0.16417440545541773
EOS-2-03861,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)s2)cc1,ANNMYXLNIRCARM-UHFFFAOYSA-N,2,1,0.385,32,126,448.471,4.503,6,0.387,0.76,1.0,0.2778082379549037,0.3402268521691454,0.534661777808238,0.5652628332533753,0.4294899252964156
EOS-2-03862,O=c1cc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)cnn1CCO,DGBAJTUNTLRKCK-UHFFFAOYSA-N,2,1,0.421,55,600,448.468,1.438,5,0.392,0.63,1.0,0.17115859091220614,0.10493626207936399,0.05593345212802413,0.054982523473374,0.09675270714824206
EOS-2-03863,COc1cncc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)n4)n23)n1,QUNKVRSVCXJFAU-UHFFFAOYSA-N,2,1,0.418,49,501,448.468,2.696,5,0.367,0.58,1.0,0.28344527448427115,0.18627064628880816,0.05594201905284079,0.01822184908505243,0.13596994722774314
EOS-2-03864,Cc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)nn2)c1,UHIWWLKSAFCSTD-UHFFFAOYSA-N,2,1,0.333,30,991,448.465,4.549,6,0.393,0.72,0.979,0.013364402714001782,0.18627921321362484,0.5937821259680625,0.6610581865533548,0.36362098211226096
EOS-2-03865,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cn5)n34)cc2)cn1,XQYYTABJBSFAIN-UHFFFAOYSA-N,2,1,0.338,38,818,448.465,4.455,6,0.37,0.71,1.0,0.1438129668974025,0.2596891919676513,0.7718884929065862,0.7393170447536153,0.4786769241313138
EOS-2-03866,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(F)cn6)cc5)n34)cc2)cn1,LNBZPNNJDCXQTB-UHFFFAOYSA-N,2,1,0.356,9,98,448.465,4.455,6,0.396,0.7,1.0,0.13829586731546845,0.264777945308752,0.7556284696045508,0.7230741553012131,0.47044410938249603
EOS-2-03867,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccc6F)cc5)n34)nc2)n1,HABOFYLGTFLOPU-UHFFFAOYSA-N,2,1,0.342,38,787,448.465,4.455,6,0.396,0.69,1.0,0.1659841683229388,0.2752895620588034,0.6509663491193202,0.6380902611198684,0.43258258515523274
EOS-2-03868,Cc1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(-c2cc(F)ccn2)n1,CAIROERLZUZOEP-UHFFFAOYSA-N,2,1,0.306,30,195,448.465,4.549,6,0.393,0.73,0.971,0.010186073607018025,0.14210814885888562,0.5346703447330546,0.5717908299636763,0.31468884929065866
EOS-2-03869,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)c1,GYQSXNYHNYCOOZ-UHFFFAOYSA-N,2,1,0.362,3,642,448.465,4.455,6,0.396,0.78,1.0,0.16852854499348913,0.30606195600027414,0.6422537865807689,0.684574395175108,0.45035467068741003
EOS-2-03870,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cc2)cn1,IHZYHMUPRYXLTI-UHFFFAOYSA-N,2,1,0.327,3,150,448.465,4.549,6,0.393,0.76,1.0,0.03285415667192105,0.21387327804811185,0.7258412720169968,0.7126396408745117,0.42130208690288534
EOS-2-03871,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2F)cn1,GYILDJJKNURDPW-UHFFFAOYSA-N,2,1,0.329,30,668,448.465,4.549,6,0.393,0.7,1.0,0.029144678226303886,0.19497464190254266,0.7026163388390103,0.6901343293811254,0.4042174970872455
EOS-2-03872,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6F)nc5)n34)nc2)n[nH]1,KGMHDHYYXYPPJM-UHFFFAOYSA-N,2,1,0.329,32,179,448.465,4.753,6,0.418,0.74,0.419,0.17968268110479063,0.3060705229250908,0.6729919128229731,0.6845829620999246,0.4608320197381948
EOS-2-03873,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cc2)n1,MTILGNBRDVSOHC-UHFFFAOYSA-N,2,1,0.35,3,289,448.465,4.549,6,0.393,0.73,1.0,0.04263758481255568,0.19042560482489207,0.5715937906928928,0.6022376807621136,0.35172366527311355
EOS-2-03874,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)nc1,DRPLWNMOAHWJOE-UHFFFAOYSA-N,2,1,0.375,32,20,448.465,4.455,6,0.396,0.74,1.0,0.1383044342402851,0.27529812898362005,0.6730004797477898,0.6786460832019738,0.4413122815434172
EOS-2-03875,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nn6)cc5)n34)c2)cn1,JYAMJNXMNLYVOC-UHFFFAOYSA-N,2,1,0.333,9,598,448.465,4.455,6,0.396,0.66,1.0,0.18829244054554178,0.22931944349256392,0.7361558494962648,0.7179082996367624,0.4679190082927832
EOS-2-03876,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)nc2)cn1,XYQBGMOGCWISBQ-UHFFFAOYSA-N,2,1,0.342,38,714,448.465,4.455,6,0.396,0.7,1.0,0.20208518950037693,0.2700723048454527,0.7310842300047975,0.7068741004728942,0.4775289562058804
EOS-2-03877,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)nc1,VEARKTPDCMNQEH-UHFFFAOYSA-N,2,1,0.354,32,572,448.465,4.455,6,0.396,0.64,1.0,0.19120519498320881,0.3111935439654582,0.6213504900280995,0.6411400863546022,0.4412223288328422
EOS-2-03878,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)nc1,ADKXMPVZZUETNK-UHFFFAOYSA-N,2,1,0.36,32,20,448.465,4.455,6,0.396,0.75,1.0,0.23801487218148173,0.3500702487834967,0.6243146460146666,0.6380988280446851,0.46262464875608256
EOS-2-03879,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)c(-c2ccc(F)cc2)c1,UMTCHNORYFQZJG-UHFFFAOYSA-N,2,1,0.31,3,154,448.465,4.753,6,0.418,0.78,0.998,0.28070385854293745,0.4391319991775752,0.7076108560071277,0.7312470015763142,0.5396734288259886
EOS-2-03880,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccc6F)cc5)n34)nc2)cn1,QCYYHXYKGOPVFM-UHFFFAOYSA-N,2,1,0.342,38,714,448.465,4.455,6,0.396,0.67,1.0,0.1937153039544925,0.2753066959084367,0.7076194229319444,0.690142896305942,0.4666960797752039
EOS-2-03881,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)nc2)cn1,LUCFEESEGCJNLY-UHFFFAOYSA-N,2,1,0.417,42,774,448.465,4.455,6,0.396,0.82,1.0,0.17667569049414023,0.33530943732437807,0.707627989856761,0.7230827222260298,0.48567395997532725
EOS-2-03882,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)nc2)cn1,DOWXSXSXVTZICS-UHFFFAOYSA-N,2,1,0.333,32,714,448.465,4.455,6,0.396,0.66,1.0,0.15223425399218696,0.28562127338770477,0.7128024124460284,0.6959084367075594,0.46164159413336986
EOS-2-03883,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)nc2)cn1,HZBPJKQBGNARNV-UHFFFAOYSA-N,2,1,0.333,38,714,448.465,4.455,6,0.37,0.62,1.0,0.17116715783702283,0.22932801041738057,0.7153210883421287,0.6874186142142417,0.4508087177026935
EOS-2-03884,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)c(F)c4)n23)n1,IAIBVQIYCBPIMU-UHFFFAOYSA-N,2,1,0.341,30,74,448.465,4.455,6,0.396,0.77,1.0,0.2432149955451991,0.27531526283325336,0.5311493386334042,0.6118412034815982,0.41538020012336374
EOS-2-03885,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1,ZAIWEBFCXXTZGL-UHFFFAOYSA-N,2,1,0.35,3,289,448.465,4.549,6,0.393,0.73,1.0,0.03151771640052087,0.22422212322664656,0.5579980810088411,0.5963950380371462,0.35253323966828864
EOS-2-03886,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)cc4F)n23)nc1,ATMXTBRWQVDDJP-UHFFFAOYSA-N,2,1,0.321,32,945,448.465,4.455,6,0.396,0.69,0.998,0.26475224453430196,0.3162822973065588,0.5515471866218902,0.5780018504557604,0.4276458947296279
EOS-2-03887,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cc2)n1,WLXCLGBQZFCPBH-UHFFFAOYSA-N,2,1,0.308,3,289,448.465,4.549,6,0.393,0.7,0.996,0.03286272359673772,0.19960078130354328,0.555059625796724,0.5935422520731958,0.3452663456925502
EOS-2-03888,Cn1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)c(-c2ccc(F)cn2)n1,FBFGATFGGJMVLS-UHFFFAOYSA-N,2,1,0.317,30,945,448.465,4.455,6,0.396,0.74,1.0,0.12166746624631622,0.21890206291549585,0.5143238982934686,0.578010417380577,0.35822596120896444
EOS-2-03889,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)cc1,IQDDDMLMFGTSLM-UHFFFAOYSA-N,2,1,0.333,9,171,448.465,4.455,6,0.396,0.69,1.0,0.22124940031526283,0.26478651223356864,0.8005277225687067,0.7796843944897539,0.516562007401823
EOS-2-03890,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)ccc1F,XBKMGLYQDDUPTF-UHFFFAOYSA-N,2,1,0.291,9,834,448.465,4.753,6,0.418,0.7,1.0,0.24322356247001575,0.35975944075114796,0.7648379137824687,0.7521245973545336,0.5299863785895416
EOS-2-03891,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cc5)n34)c(F)c2)nn1,QNOPCTFKSOZPMN-UHFFFAOYSA-N,2,1,0.338,69,38,448.465,4.455,6,0.396,0.78,1.0,0.13831300116510178,0.25969775889246793,0.7361644164210814,0.7521331642793503,0.47157708518950037
EOS-2-03892,Cn1cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c(-c2ccc(F)cc2)n1,DVJBZOXBIONWPY-UHFFFAOYSA-N,2,1,0.39,9,171,448.465,4.455,6,0.396,0.77,1.0,0.15497566993352066,0.3353180042491947,0.7232454937975464,0.7419128229730656,0.48886299773833186
EOS-2-03893,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)c(F)c4)n23)cc1,OMUAUBFEMZKQCH-UHFFFAOYSA-N,2,1,0.351,9,867,448.465,4.455,6,0.396,0.74,1.0,0.332782194503461,0.33046912480296076,0.712810979370845,0.6901514632307587,0.5165534404770064
EOS-2-03894,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(F)c1,KGPNOQFSADTPHO-UHFFFAOYSA-N,2,1,0.333,9,642,448.465,4.455,6,0.396,0.74,1.0,0.2564851620862175,0.3259372215749435,0.6509749160441368,0.6696936467685559,0.4757727366184635
EOS-2-03895,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)cn2)ccn1,MLKAZUZZZQRIGU-UHFFFAOYSA-N,2,1,0.333,3,673,448.465,4.549,6,0.393,0.69,1.0,0.005619902679734083,0.17781509149475705,0.7101380988280447,0.7013912685902268,0.39874109039819067
EOS-2-03896,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)nc4)n23)cc1,XBIATWNMOBJOAN-UHFFFAOYSA-N,2,1,0.38,9,642,448.465,4.455,6,0.396,0.8,1.0,0.19372387087930917,0.3213453498732095,0.6567404564457542,0.6874271811390583,0.4648092145843328
EOS-2-03897,Cn1ncc(-c2cncc3nnc(-c4cccnc4-c4ccccn4)n23)c1-c1ccc(F)cc1,YXMGKTQZLBDTLQ-UHFFFAOYSA-N,2,1,0.346,32,20,448.465,4.455,6,0.396,0.66,1.0,0.13583715989308479,0.2960386539647728,0.518024809814269,0.5812915495853609,0.38279804331437184
EOS-2-03898,Cn1cc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cn5)n34)c2)cn1,BMYFTVXNJLZORN-UHFFFAOYSA-N,2,1,0.295,32,693,448.465,4.455,6,0.396,0.67,1.0,0.13307861010211774,0.2189106298403125,0.6392896305942019,0.6524826948118704,0.4109403913371256
EOS-2-03899,Cn1cc(-c2nnc3cncc(-c4cccc(-c5cncnc5)c4)n23)c(-c2ccc(F)cc2)n1,JUBIWUJNECJKPZ-UHFFFAOYSA-N,2,1,0.341,42,696,448.465,4.455,6,0.396,0.71,1.0,0.10847440202864779,0.24476560893701596,0.6812761291206908,0.7257299019943801,0.44006151052018366
EOS-2-03900,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)c(-c2ccc(F)cc2)n1,LVAPYXVGBKUXQH-UHFFFAOYSA-N,2,1,0.385,9,38,448.465,4.455,6,0.396,0.69,1.0,0.14950140497566994,0.34023541909396204,0.7258498389418134,0.7496487560825166,0.4913088547734905
EOS-2-03901,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c(F)c1,VYZASUGFBPBCHJ-UHFFFAOYSA-N,2,1,0.347,42,50,448.465,4.455,6,0.396,0.69,1.0,0.30230964293057366,0.3353265711740114,0.7076365567815777,0.687435748063875,0.5081771297375094
EOS-2-03902,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)c1,TZVAXCYDDWXKGO-UHFFFAOYSA-N,2,1,0.349,3,642,448.465,4.455,6,0.396,0.68,1.0,0.15224282091700364,0.2647950791583853,0.5747978205743266,0.6411486532794188,0.4082460934822836
EOS-2-03903,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(F)c1,QKYKTRYERLIOCI-UHFFFAOYSA-N,2,1,0.38,93,228,448.465,4.455,6,0.396,0.86,1.0,0.2647608114591186,0.36938009732026594,0.6183692001918991,0.7068826673977109,0.4898481940922486
EOS-2-03904,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c(F)c1,BQZQDBOADMYBDB-UHFFFAOYSA-N,2,1,0.342,9,867,448.465,4.455,6,0.396,0.73,1.0,0.3225532862723597,0.3162908642313755,0.7232540607223631,0.6932184223151258,0.5138291583853061
EOS-2-03905,Cn1cc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)c(-c2ccc(F)cc2)n1,MCSVHIUQSAKICL-UHFFFAOYSA-N,2,1,0.341,30,220,448.465,4.455,6,0.396,0.78,1.0,0.1685371119183058,0.27008087177026935,0.5580066479336577,0.6322304845452676,0.40721377904187517
EOS-2-03906,Cn1cc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)c(-c2ccc(F)cc2)n1,UDVOSEOBPXWBPL-UHFFFAOYSA-N,2,1,0.325,64,27,448.465,4.455,6,0.396,0.78,1.0,0.11920019189911589,0.19498320882735934,0.45520355013364405,0.555676444383524,0.3312658488109108
EOS-2-03907,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cc2)cn1,JQJQINBMHFIYAA-UHFFFAOYSA-N,2,1,0.36,9,867,448.465,4.455,6,0.396,0.76,1.0,0.18830100747035844,0.24967445685696663,0.7051435816599273,0.67549345486944,0.45465312521417306
EOS-2-03908,Cn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2)nn1,DMWUEJPOVKFBLA-UHFFFAOYSA-N,2,1,0.294,30,737,448.465,4.455,6,0.396,0.76,1.0,0.04410252895620588,0.165153176615722,0.6536220958124872,0.6986070180248098,0.39037120485230625
EOS-2-03909,Cn1cc(-c2cc(F)cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2)nn1,QMVDXIALNUBCOL-UHFFFAOYSA-N,2,1,0.287,30,737,448.465,4.455,6,0.396,0.76,1.0,0.04411109588102255,0.12446028373654992,0.6453378795147694,0.6959170036323761,0.37745656569117947
EOS-2-03910,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cc2)cn1,IBXULQNJGQIXKH-UHFFFAOYSA-N,2,1,0.364,3,150,448.465,4.549,6,0.393,0.75,1.0,0.025563703652936743,0.194991775752176,0.702624905763827,0.6932269892399424,0.40410184360222057
EOS-2-03911,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)c(F)c5)n34)cc2)n1,LHGJGZZCFNHMML-UHFFFAOYSA-N,2,1,0.365,93,228,448.465,4.455,6,0.396,0.74,1.0,0.2726595161400864,0.3162994311561922,0.6269104242341169,0.6901600301555754,0.4765073504214927
EOS-2-03912,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)nc1,SKKPVHTYGCJIED-UHFFFAOYSA-N,2,1,0.359,93,74,448.465,4.455,6,0.396,0.73,1.0,0.24323212939483244,0.3693886642450826,0.5969433212254129,0.6580940305667877,0.46691453635802893
EOS-2-03913,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)c(F)c1,YHSIPMPGDMBGSR-UHFFFAOYSA-N,2,1,0.338,32,191,448.465,4.455,6,0.396,0.73,1.0,0.27506682201357,0.3643598793776986,0.6183777671167158,0.6086371736001644,0.4666104105270372
EOS-2-03914,Fc1cccc(Cn2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)c1,CFVHERSXVNTZNM-UHFFFAOYSA-N,2,1,0.295,30,737,448.465,4.299,6,0.391,0.75,0.997,0.11085600712768144,0.19043417174970872,0.4930864916729491,0.6118497704064149,0.3515566102391885
EOS-2-03915,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)cn2)cn1,NURGYGNUJZMQIL-UHFFFAOYSA-N,2,1,0.368,30,594,448.465,4.455,6,0.396,0.69,1.0,0.19665375916660954,0.33533513809882803,0.6812846960455075,0.7039870468096772,0.47931516003015556
EOS-2-03916,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cc2)n1,WNUOEVYNDLVKAU-UHFFFAOYSA-N,2,1,0.307,9,834,448.465,4.753,6,0.418,0.67,1.0,0.28610102117743813,0.34535844013432937,0.717916866561579,0.6986155849496265,0.5119979782057433
EOS-2-03917,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2F)n1,ARENGGFLYIFADX-UHFFFAOYSA-N,2,1,0.326,9,834,448.465,4.753,6,0.418,0.69,1.0,0.28610958810225484,0.31120211089027483,0.7179254334863957,0.6986241518744432,0.5034653210883422
EOS-2-03918,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccc(F)c5)n34)nc2)cn1,OMHUQEITGMWSKU-UHFFFAOYSA-N,2,1,0.366,32,714,448.465,4.455,6,0.396,0.78,1.0,0.14382153382221918,0.2547032417243506,0.656749023370571,0.6667808923308889,0.4305136728120074
EOS-2-03919,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccc(F)c6)cn5)n34)cc2)n[nH]1,PTHKKYCRZYVMHZ-UHFFFAOYSA-N,2,1,0.366,3,594,448.465,4.753,6,0.418,0.69,1.0,0.2131365225138784,0.3787780138441505,0.6865619217325749,0.7013998355150435,0.49496907340141183
EOS-2-03920,Cn1nccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(F)c1,FRCNWNWGKZFMSN-UHFFFAOYSA-N,2,1,0.309,38,787,448.465,4.455,6,0.396,0.72,1.0,0.16854567884312247,0.2547118086491673,0.6269189911589336,0.6262507710232335,0.4191068124186142
EOS-2-03921,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)cc4)n23)nc1,JHGUIZYLYQBHMT-UHFFFAOYSA-N,2,1,0.333,38,787,448.465,4.455,6,0.37,0.54,1.0,0.16855424576793915,0.23399698444246453,0.6702933315057227,0.64975841272017,0.43065074360907407
EOS-2-03922,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccc(F)c6)nc5)n34)cc2)n[nH]1,HQNPYAIGZCKVQP-UHFFFAOYSA-N,2,1,0.361,9,834,448.465,4.753,6,0.418,0.8,1.0,0.20209375642519362,0.3304776917277774,0.6509834829689535,0.6639538071413885,0.46187718456582827
EOS-2-03923,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)nc2)nn1,CXUMUIBNJSQLQA-UHFFFAOYSA-N,2,1,0.346,93,74,448.465,4.455,6,0.396,0.78,1.0,0.1495099719004866,0.2189191967651292,0.6647847988486053,0.6986327187992598,0.43296167157837023
EOS-2-03924,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)c(F)c5)n34)c2)nn1,GEEIUYVJQSVDHY-UHFFFAOYSA-N,2,1,0.329,30,764,448.465,4.455,6,0.396,0.73,1.0,0.1576571174011377,0.19960934822835993,0.6730090466726064,0.6959255705571928,0.4315502707148242
EOS-2-03925,Cn1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1-c1ccc(F)cc1,ZGUSKMDZOHWZGF-UHFFFAOYSA-N,2,1,0.338,30,220,448.465,4.455,6,0.396,0.8,0.98,0.10086697279144678,0.27532382975807,0.47576416969364677,0.6022462476869302,0.3635503049825235
EOS-2-03926,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)nc2)n1,CGUTYZRXKBMYLI-UHFFFAOYSA-N,2,1,0.342,38,787,448.465,4.455,6,0.396,0.68,1.0,0.17391714070317318,0.2753323966828867,0.6759560688095402,0.655275512302104,0.445120279624426
EOS-2-03927,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)nc5)n34)c(F)c2)n[nH]1,BICNCZSDFHOWMD-UHFFFAOYSA-N,2,1,0.318,32,20,448.465,4.753,6,0.418,0.71,1.0,0.2516020149407169,0.38823589884175175,0.6759646357343568,0.6639623740662052,0.4949412308957577
EOS-2-03928,Cn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,URGGXTOPVNTEJG-UHFFFAOYSA-N,2,1,0.395,69,787,448.465,4.455,6,0.396,0.75,1.0,0.16312281543417176,0.37878658076896715,0.44074258104310876,0.5328113220478377,0.3788658248235213
EOS-2-03929,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccc5F)cc4)n23)nc1,XXYLHVJHLDEKCI-UHFFFAOYSA-N,2,1,0.338,38,983,448.465,4.455,6,0.396,0.69,1.0,0.28894524021657186,0.32594578849976014,0.6032828455897471,0.602254814611747,0.45510717222945657
EOS-2-03930,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)cc4F)n23)cc1,GCQRSZCLQDITPS-UHFFFAOYSA-N,2,1,0.342,9,642,448.465,4.455,6,0.396,0.71,1.0,0.23534199163868139,0.3259543554245768,0.7026334726886437,0.7230912891508464,0.49675527722568713
EOS-2-03931,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,ZIUODFJNEDWYAF-UHFFFAOYSA-N,2,1,0.37,93,228,448.465,4.455,6,0.396,0.85,1.0,0.26726235350558564,0.38824446576656846,0.6183863340415324,0.7126482077993284,0.4966353402782537
EOS-2-03932,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)c1,BWHHDMZWCFZZMC-UHFFFAOYSA-N,2,1,0.397,93,228,448.465,4.455,6,0.396,0.84,1.0,0.21051504351997807,0.3402439860187787,0.629874580220684,0.7205811801795627,0.4753036974847509
EOS-2-03933,Cn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,IJXWNWZUCMBNNT-UHFFFAOYSA-N,2,1,0.338,30,737,448.465,4.455,6,0.396,0.79,0.999,0.14087451168528545,0.33048625865259407,0.39706839832773627,0.5222140360496196,0.3476608011788088
EOS-2-03934,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6F)nc5)n34)cc2)n1,UWVFDLNERNRXSL-UHFFFAOYSA-N,2,1,0.354,9,152,448.465,4.455,6,0.396,0.74,1.0,0.24075628812281544,0.29604722088958946,0.6865704886573916,0.6959341374820095,0.47982703378795155
EOS-2-03935,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nc2)n1,BUYJOIFCQTWACJ-UHFFFAOYSA-N,2,1,0.38,93,74,448.465,4.455,6,0.396,0.78,1.0,0.19373243780412583,0.3304948255774107,0.6865790555822082,0.709898224933178,0.4801761359742307
EOS-2-03936,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)c(F)c1,TUHJPVGAPAHNJX-UHFFFAOYSA-N,2,1,0.359,93,74,448.465,4.455,6,0.396,0.71,1.0,0.23535055856349804,0.3597680076759646,0.6094938660818313,0.6581025974916044,0.46567875745322457
EOS-2-03937,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)c2)nn1,ZHARWDSTOWVHTP-UHFFFAOYSA-N,2,1,0.333,9,764,448.465,4.455,6,0.37,0.76,1.0,0.10087553971626345,0.19044273867452538,0.7258584058666301,0.7339884175176479,0.43779127544376667
EOS-2-03938,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c(F)c1,KJOCJNBMLAAOGM-UHFFFAOYSA-N,2,1,0.305,30,737,448.465,4.455,6,0.396,0.78,1.0,0.16599273524775546,0.2802583784524707,0.609502433006648,0.6639709409910218,0.429931121924474
EOS-2-03939,Cn1nccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)cn1,PSQBGEAVYPLKCX-UHFFFAOYSA-N,2,1,0.4,38,594,448.465,4.455,6,0.396,0.74,1.0,0.20210232335001027,0.3305033925022274,0.6623603591254883,0.6959427044068262,0.472727194846138
EOS-2-03940,Cc1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(-c2ccc(F)cc2)n1,HSOJTVHVBKYKBN-UHFFFAOYSA-N,2,1,0.324,30,298,448.465,4.549,6,0.393,0.69,1.0,0.02032074566513604,0.19500034267699268,0.5244928380508532,0.5964036049619629,0.33405438283873623
EOS-2-03941,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4F)n23)cn1,OUFRLVJWZNRBFL-UHFFFAOYSA-N,2,1,0.325,32,693,448.465,4.455,6,0.396,0.75,1.0,0.24611918305804947,0.31630799808100885,0.6032914125145638,0.605424576793914,0.442785792611884
EOS-2-03942,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)c1,ILIRZOIYIXEZAO-UHFFFAOYSA-N,2,1,0.276,42,174,448.465,4.455,6,0.37,0.75,1.0,0.17668425741895688,0.20415838530601055,0.662368926050305,0.6552840792269207,0.4246239120005483
EOS-2-03943,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4F)n23)cc1,ZLRSKYYJNZAMBC-UHFFFAOYSA-N,2,1,0.333,9,642,448.465,4.455,6,0.396,0.75,1.0,0.2407648550476321,0.32135391679802616,0.6536306627373039,0.6726064012062231,0.4720889589472963
EOS-2-03944,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)nc2)cn1,CCCGADPZVRBHHQ-UHFFFAOYSA-N,2,1,0.333,38,714,448.465,4.455,6,0.37,0.71,1.0,0.14383010074703584,0.24477417586183264,0.7718970598314029,0.7419213898978823,0.4756056815845384
EOS-2-03945,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)cc4)n23)c1,WZBLEVXZICLZSS-UHFFFAOYSA-N,2,1,0.346,9,598,448.465,4.455,6,0.37,0.56,1.0,0.25161058186553353,0.2447827427866493,0.6243232129394832,0.6468627921321363,0.4418948324309506
EOS-2-03946,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5F)n34)nc2)cn1,FNAHZVBDTILZOP-UHFFFAOYSA-N,2,1,0.325,42,714,448.465,4.455,6,0.396,0.71,1.0,0.1631313823589884,0.2856298403125214,0.7600147351106846,0.7443458296209993,0.48828044685079847
EOS-2-03947,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)nc1,XQUCYPLGAYDRHF-UHFFFAOYSA-N,2,1,0.321,30,118,448.465,4.549,6,0.393,0.76,0.535,0.01337296963881845,0.1536906312110205,0.5681498869165924,0.6262593379480502,0.3403682064286204
EOS-2-03948,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)cc4)n23)c1-c1ccccn1,ODFYHOQPEXOFAF-UHFFFAOYSA-N,2,1,0.321,30,787,448.465,4.455,6,0.37,0.53,1.0,0.16600130217257214,0.2340055513672812,0.5580152148584744,0.5843585086697279,0.3855951442670139
EOS-2-03949,Cn1cnc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3ccc(-c4ccccn4)cn3)n12,CMNBJDWKZJTXLE-UHFFFAOYSA-N,2,1,0.337,32,20,448.465,4.455,6,0.396,0.74,0.958,0.1303200603111507,0.22933657734219726,0.49647899390034955,0.5686382016311425,0.35619345829621
EOS-2-03950,Cn1nc(-c2cncc(F)c2)cc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,PJKKTMCPHOFSIY-UHFFFAOYSA-N,2,1,0.301,38,787,448.465,4.455,6,0.396,0.71,1.0,0.13832156808991844,0.23401411829209787,0.6243317798642999,0.6438129668974025,0.4101201082859297
EOS-2-03951,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cc1,VJYKQIGCKFOYDY-UHFFFAOYSA-N,2,1,0.293,32,762,448.465,4.455,6,0.396,0.77,1.0,0.2432406963196491,0.2753409636077034,0.6243403467891165,0.6234065519840998,0.44158213967514226
EOS-2-03952,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)nc2)n1,FJEIHRSHSCBIHK-UHFFFAOYSA-N,2,1,0.382,93,651,448.465,4.455,6,0.396,0.77,0.999,0.2380234391062984,0.35977657460078133,0.5873055308066616,0.6322390514700843,0.4543361489959564
EOS-2-03953,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cn5)n34)nc2)n1,BAOUWFCEXQECLP-UHFFFAOYSA-N,2,1,0.351,32,301,448.465,4.455,6,0.396,0.75,1.0,0.06958913028579261,0.21388184497292853,0.6509920498937701,0.6639795079158385,0.39961063326708246
EOS-2-03954,COc1nc(-c2cnc(C)s2)ccc1-c1nnc2cncc(OCc3nc(C)cs3)n12,YQMDNDDXDMFWCU-UHFFFAOYSA-N,2,1,0.483,4,464,451.537,3.971,5,0.382,0.54,1.0,0.29172092385717224,0.27534953053252004,0.041977931601672264,0.015351929271468714,0.1561000788157083
EOS-2-03955,COc1cc(CCOc2cncc3nnc(-c4cc(-c5cncn5C)n(C)n4)n23)ccc1F,VDARWUAMFUGLCZ-UHFFFAOYSA-N,2,1,0.473,95,569,448.462,2.695,5,0.378,0.58,0.999,0.320171681173326,0.1778236584195737,0.34841683229387976,0.24073058734836544,0.2717856898087862
EOS-2-03956,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)nc5)n34)cc2)o1,BHZHBZKOAMFOPJ-UHFFFAOYSA-N,2,1,0.354,69,987,448.461,5.623,6,0.348,0.71,1.0,0.2971780549653896,0.4786597902816805,0.8179785484202591,0.8086063326708245,0.6006056815845384
EOS-2-03957,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc5ccccc5n4)n23)nc1,QXGAJTQEAFBTJH-UHFFFAOYSA-N,2,1,0.418,12,891,448.461,5.12,6,0.364,0.84,1.0,0.6534678911657871,0.7155952299362621,0.7719056267562195,0.8043742718113905,0.7363357549174148
EOS-2-03958,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5ccc(F)cc5)n34)cc2)o1,SOXURRCDQJVIBR-UHFFFAOYSA-N,2,1,0.367,69,30,448.461,5.623,6,0.348,0.68,1.0,0.34707182509766293,0.5378229730655884,0.8005362894935234,0.7909841683229388,0.6191038139949283
EOS-2-03959,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)c(F)c5)n34)cc2)o1,KHRXRCTZPFXIJP-UHFFFAOYSA-N,2,1,0.32,69,484,448.461,5.623,6,0.348,0.71,1.0,0.3883301350147351,0.47866835720649714,0.8309231718182442,0.8043828387362073,0.625576125693921
EOS-2-03960,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(-c2cccc(F)c2)n1,VCPIQMFBCRGPAF-UHFFFAOYSA-N,2,1,0.354,69,30,448.461,5.623,6,0.348,0.78,1.0,0.33035775478034407,0.4391405661023919,0.7982831882667397,0.8022582413816737,0.5925099376327874
EOS-2-03961,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc6ccccc6n5)n34)cc2)c1,JXJMWBBILPDKAV-UHFFFAOYSA-N,2,1,0.511,12,891,448.461,5.12,6,0.364,0.81,1.0,0.8102768830100747,0.8185268316085258,0.8234956480021931,0.8332962099924611,0.8213988931533137
EOS-2-03962,Cc1coc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nc2)n1,GAYIFILZWNOWKO-UHFFFAOYSA-N,2,1,0.385,93,479,448.461,5.623,6,0.348,0.81,1.0,0.310139812213008,0.4786769241313138,0.7810893701596875,0.7818004249194709,0.58792663285587
EOS-2-03963,Fc1ccc(-c2nnc3cncc(OCc4ccc5ccccc5n4)n23)cc1-c1ccccn1,YQSOQQWEELUCHW-UHFFFAOYSA-N,2,1,0.522,28,891,448.461,5.12,6,0.364,0.8,0.999,0.7711860050716195,0.8504557604002467,0.7874031937495717,0.8000908094030567,0.8022839421561236
EOS-2-03964,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)c(F)c5)n34)cc2)o1,REXMJQJKICJOTP-UHFFFAOYSA-N,2,1,0.338,69,30,448.461,5.623,6,0.348,0.71,1.0,0.3745802206839833,0.4786854910561305,0.8711620176821329,0.8486138715646632,0.6432604002467275
EOS-2-03965,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)cn2)o1,JFPDUXHJPZXAQH-UHFFFAOYSA-N,2,1,0.385,69,987,448.461,5.623,6,0.348,0.77,1.0,0.342377150298129,0.48747515591803164,0.8235042149270098,0.8173360290590089,0.6176731375505449
EOS-2-03966,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1F,UNSIELVAGDYYDI-UHFFFAOYSA-N,2,1,0.325,69,30,448.461,5.623,6,0.348,0.73,1.0,0.37458878760879993,0.43914913302720854,0.8423857172229456,0.8232043725584264,0.6198320026043451
EOS-2-03967,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cn5)n34)c(F)c2)co1,AXECXNKCTIVGTM-UHFFFAOYSA-N,2,1,0.354,93,93,448.461,5.623,6,0.348,0.73,1.0,0.3201802480981427,0.43007675964635733,0.7834195737098211,0.7818089918442875,0.5788713933246522
EOS-2-03968,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)c(-c2ccc(F)cc2)n1,LTYUGGYRNCEAQT-UHFFFAOYSA-N,2,1,0.338,32,818,448.461,5.623,6,0.348,0.66,1.0,0.3177815091494757,0.3882530326913851,0.7719141936810363,0.7888595709684052,0.5667020766225757
EOS-2-03969,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)nc2)o1,YTYRZGDPTGXCBI-UHFFFAOYSA-N,2,1,0.364,93,651,448.461,5.623,6,0.348,0.73,1.0,0.3629463367829484,0.5059797135220341,0.8005448564183401,0.7957473785210061,0.6163045713110822
EOS-2-03970,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cc2)o1,SJKDHCZZSOGGJG-UHFFFAOYSA-N,2,1,0.347,69,645,448.461,5.623,6,0.326,0.72,1.0,0.3352152011513947,0.44792166403947636,0.8612500856692482,0.8312144472620109,0.6189003495305325
EOS-2-03971,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ocnc5-c5ccc(F)cc5)n34)cc2)n1,OWZYHSQDYOSJNW-UHFFFAOYSA-N,2,1,0.372,69,695,448.461,5.623,6,0.348,0.79,1.0,0.3177900760742924,0.49702727708861627,0.7623963402097184,0.7675193612500857,0.5861832636556781
EOS-2-03972,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5F)n34)cn2)cc1,QPNIQSCOHDKYLE-UHFFFAOYSA-N,2,1,0.311,69,30,448.461,5.623,6,0.348,0.78,0.983,0.3514495236789802,0.4521451579740936,0.8711705846069495,0.857052292509081,0.632954389692276
EOS-2-03973,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)c2)o1,URAIFFWJFDUQMG-UHFFFAOYSA-N,2,1,0.35,93,107,448.461,5.623,6,0.348,0.82,1.0,0.3327907614282777,0.4391576999520252,0.7648464807072853,0.7909927352477555,0.581946919333836
EOS-2-03974,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)c(F)c4)n23)cn1,AVSFRLGJJRDNAG-UHFFFAOYSA-N,2,1,0.344,69,30,448.461,5.623,6,0.348,0.76,1.0,0.3398413405523953,0.42115859091220614,0.8537111918305805,0.8431053389075458,0.614454115550682
EOS-2-03975,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cccc(F)c6)c5)n34)cc2)n1,YNNAYFRGDQXKMB-UHFFFAOYSA-N,2,1,0.385,69,107,448.461,5.623,6,0.348,0.72,1.0,0.31534850250154206,0.4211671578370228,0.7834281406346378,0.8022668083064903,0.5805526523199233
EOS-2-03976,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6n[nH]c(C)n6)cn5)n34)cc2)nn1,RRWKGBVIHGTAMI-UHFFFAOYSA-N,2,1,0.295,98,167,448.454,2.502,6,0.426,0.69,1.0,0.12740730587348364,0.12797272291138373,0.05780104173805771,0.05227537523130697,0.09136411143855802
EOS-2-03977,Cc1ncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6n[nH]c(C)n6)cc5)n34)cn2)nn1,YIZUGZNLSDNWLX-UHFFFAOYSA-N,2,1,0.295,98,42,448.454,2.502,6,0.426,0.68,1.0,0.12741587279830033,0.10494482900418066,0.05212117058460695,0.04305736412857241,0.08188480912891509
EOS-2-03978,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)nc5)n34)cc2)cn1,ANFGCCAWBBUSDR-UHFFFAOYSA-N,2,1,0.289,98,213,448.454,2.204,6,0.394,0.65,1.0,0.06385785758344185,0.07231341237749297,0.043460009594955794,0.041883695428688916,0.05537874374614488
EOS-2-03979,Cc1nnc(-c2ccnc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)c2)n1C,WWRAYEWGGNVGHL-UHFFFAOYSA-N,2,1,0.268,86,852,448.454,2.204,6,0.394,0.58,1.0,0.02032931258995271,0.010777191419368103,0.04511342608457268,0.04566170927283942,0.030470409841683227
EOS-2-03980,Cc1ncc(-c2nnc3cncc(-c4cc(-c5cn(C)nn5)ncn4)n23)c(-c2ccccn2)n1,UWXUBTMEHVJVQF-UHFFFAOYSA-N,2,1,0.248,86,892,448.454,2.204,6,0.394,0.65,0.962,0.02447570420121993,0.013981221300801865,0.0405301213076554,0.0380028784867384,0.0292474813241039
EOS-2-03981,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnn(C)n6)n5)n34)cc2)cn1,VZDYFHXXUIAOFL-UHFFFAOYSA-N,2,1,0.295,98,167,448.454,2.204,6,0.394,0.65,1.0,0.09363648824617915,0.04219210472208896,0.059642930573641284,0.060945103145774795,0.06410415667192104
EOS-2-03982,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)cn1,SOQILWVBAYDSPE-UHFFFAOYSA-N,2,1,0.506,56,425,448.45,3.007,6,0.408,0.66,1.0,0.47285141525597973,0.3928020697690357,0.38595709684051815,0.3161109588102255,0.3919303851689398
EOS-2-03983,CCc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)nc2)no1,SNVURJRZBTXUGD-UHFFFAOYSA-N,2,1,0.295,86,977,448.45,3.318,6,0.386,0.69,1.0,0.09364505517099582,0.12798128983620038,0.05027928174902337,0.05096463573435679,0.08071756562264408
EOS-2-03984,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)nc1,RNYLFNMDJVGWRQ-UHFFFAOYSA-N,2,1,0.5,40,425,448.45,3.007,6,0.408,0.69,1.0,0.4677540949900624,0.37879514769378386,0.23158967856898088,0.19966074977725995,0.3194499177575218
EOS-2-03985,c1cc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)ccn1,KEGDPVCNNKGLIV-UHFFFAOYSA-N,2,1,0.495,40,425,448.45,3.007,6,0.408,0.66,1.0,0.5101775066822014,0.39281063669385236,0.2531697621821671,0.2085617846617778,0.3411799225549997
EOS-2-03986,c1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cn1,VBKDVVVDKVZOPI-UHFFFAOYSA-N,2,1,0.4,40,350,448.45,3.007,6,0.408,0.6,1.0,0.4560945103145775,0.41205194983208826,0.3370485230621616,0.29714378726612295,0.37558469261873756
EOS-2-03987,c1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cn1,DPXGQDIIAXGPLP-UHFFFAOYSA-N,2,1,0.461,40,8,448.45,3.007,6,0.408,0.56,1.0,0.6930385168939758,0.48271194571996434,0.26741655815228565,0.2319837571105476,0.41878769446919334
EOS-2-03988,COc1nc(-c2cc[nH]n2)ccc1-c1nnc2cncc(-c3cc(-c4ccncc4)ncn3)n12,WEEVNFREKZVNIW-UHFFFAOYSA-N,2,1,0.284,76,566,448.45,3.104,6,0.422,0.57,1.0,0.2672709204304023,0.16123809197450484,0.2170858748543623,0.1694966074977726,0.2037728736892605
EOS-2-03989,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)nc1,XXBODISQEKIHLI-UHFFFAOYSA-N,2,1,0.563,40,893,448.45,3.007,6,0.408,0.73,1.0,0.45610307723939414,0.4120605167569049,0.307586868617641,0.2731306970050031,0.3622202899047358
EOS-2-03990,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nc[nH]n6)n5)n34)cc2)nc1,HNTCMGJOBMMYQB-UHFFFAOYSA-N,2,1,0.463,40,425,448.45,3.007,6,0.408,0.65,1.0,0.45149407168802685,0.4167637584812556,0.20330169282434377,0.19966931670207663,0.31780720992392575
EOS-2-03991,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,DZGJVQVJFRRUNH-UHFFFAOYSA-N,2,1,0.329,42,327,448.45,3.104,6,0.422,0.63,1.0,0.23231786717839764,0.09550407785621273,0.322493317798643,0.24931464601466657,0.22490747721197998
EOS-2-03992,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)nc1,NEIMRCZPEIUQMO-UHFFFAOYSA-N,2,1,0.528,81,609,448.45,3.007,6,0.408,0.7,1.0,0.4515026386128435,0.39766808306490303,0.24572510451648277,0.22292851757932972,0.3294560859433897
EOS-2-03993,c1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)nc1,HNNOOYGYWCZQRI-UHFFFAOYSA-N,2,1,0.484,40,425,448.45,3.007,6,0.408,0.65,1.0,0.4561116441642108,0.3741176067438832,0.19974641902542664,0.1640908779384552,0.2985166369679939
EOS-2-03994,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nccnc5-n5ccnc5)n34)cc2)cn1,MWXCXQUSWQIFKD-UHFFFAOYSA-N,2,1,0.446,80,147,448.45,2.803,6,0.378,0.63,1.0,0.3376139401000617,0.2293451442670139,0.20331025974916045,0.18332362415187445,0.23839824206702762
EOS-2-03995,c1cnnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,SMFXRNXZOYPUKM-UHFFFAOYSA-N,2,1,0.479,81,609,448.45,3.007,6,0.408,0.63,1.0,0.4605064765951614,0.3741261736686999,0.24949455143581659,0.21478137207867865,0.32472714344458914
EOS-2-03996,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)cn1,XRKMHXHKSUYPFY-UHFFFAOYSA-N,2,1,0.506,40,425,448.45,3.007,6,0.408,0.65,1.0,0.4561202110890275,0.37413474059351653,0.32613426084572683,0.2645123706394353,0.3552253957919265
EOS-2-03997,c1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cc5)n34)c2)cnn1,YXFSPKGWBIJMTN-UHFFFAOYSA-N,2,1,0.379,6,826,448.45,2.803,6,0.378,0.72,1.0,0.22968782125968062,0.06844116236035913,0.3932732506339524,0.3445360153519293,0.2589845624014804
EOS-2-03998,c1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)cn1,RDCFTTSVPURGRQ-UHFFFAOYSA-N,2,1,0.418,56,621,448.45,3.007,6,0.408,0.65,1.0,0.5933023781783291,0.4433640600370091,0.3337245562332945,0.2880628469604551,0.4146134603522719
EOS-2-03999,c1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cnn1,OLWJNSHBOBVQSG-UHFFFAOYSA-N,2,1,0.423,40,763,448.45,3.007,6,0.408,0.57,1.0,0.46776266191487903,0.40260263175930366,0.3484253992186965,0.3003306832979234,0.3797803440477006
EOS-2-04000,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)c1,CHSSMGHRKWAHKD-UHFFFAOYSA-N,2,1,0.467,40,425,448.45,3.007,6,0.408,0.66,1.0,0.4491210335138099,0.3788037146186005,0.2707662257556028,0.23786923445959837,0.33414005208690284
EOS-2-04001,OCc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)n[nH]1,NVTIZWOJZUBOGW-UHFFFAOYSA-N,2,1,0.277,38,608,448.45,2.588,6,0.406,0.58,1.0,0.2516191487903502,0.17356589678568982,0.17660715509560687,0.16950517442258928,0.19282434377355903
EOS-2-04002,OCc1ccc(-c2nnc3cncc(-c4cncc(-c5cccc(-c6nn[nH]n6)c5)n4)n23)cc1,XTGBOAJNGIYNHN-UHFFFAOYSA-N,2,1,0.311,38,787,448.45,2.588,6,0.406,0.73,1.0,0.21052361044479473,0.1778322253443904,0.3822561853197176,0.3861113014872182,0.2891808306490302
EOS-2-04003,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5cccc(-c6cccnn6)n5)n34)cc2)n1,FACULUSKZZDSRG-UHFFFAOYSA-N,2,1,0.417,67,622,448.45,3.231,6,0.391,0.69,1.0,0.4189568912343225,0.29605578781440617,0.19625968062504284,0.1562435748063875,0.26687898362003976
EOS-2-04004,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)nc1,DQWGYUWQUJPATD-UHFFFAOYSA-N,2,1,0.34,80,318,448.45,3.231,6,0.391,0.66,1.0,0.4284319100815571,0.24968302378178328,0.2824343773559043,0.20857035158659448,0.2922799157014598
EOS-2-04005,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)o6)nn5)n34)cc2)n1,MPCSAGLRKAJOLQ-UHFFFAOYSA-N,2,1,0.314,98,63,448.45,3.372,6,0.395,0.65,1.0,0.1330871770269344,0.10172366527311356,0.10748063874991433,0.10734356795284765,0.11240876225070248
EOS-2-04006,c1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cn1,LPRHFCXSBWESOB-UHFFFAOYSA-N,2,1,0.451,80,147,448.45,3.007,6,0.408,0.6,1.0,0.5077445000342677,0.4255362894935234,0.2895706257281886,0.2524158727983003,0.36881682201357
EOS-2-04007,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)nc5)n34)cn2)nc1,VVTIZOVKFPQRAU-UHFFFAOYSA-N,2,1,0.467,80,34,448.45,2.803,6,0.378,0.65,1.0,0.339849907477212,0.2138904118977452,0.2422812007401823,0.1833321910766911,0.24483842779795764
EOS-2-04008,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cn5)n34)cc2)cn1,NCXMNHDCDPFOOI-UHFFFAOYSA-N,2,1,0.495,40,868,448.45,2.803,6,0.378,0.65,1.0,0.19666232609142623,0.20416695223082723,0.37873517922006716,0.32514906449181,0.27617838050853266
EOS-2-04009,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)nc1,XWDLFSPJNTYNJK-UHFFFAOYSA-N,2,1,0.529,40,425,448.45,3.007,6,0.408,0.66,1.0,0.629797477897334,0.4026111986841204,0.26353574121033513,0.21174868069357825,0.37692327462134195
EOS-2-04010,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccnnc6)[nH]n5)n34)cc2)cn1,HWVYYWIRCVKNSJ-UHFFFAOYSA-N,2,1,0.417,40,355,448.45,3.007,6,0.408,0.62,1.0,0.40534404770063737,0.4072202042354876,0.3896408745116853,0.33488965800836135,0.3842736961140429
EOS-2-04011,c1cnnc(-c2n[nH]c(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)c1,IPSCPCFLAMPFPQ-UHFFFAOYSA-N,2,1,0.426,40,25,448.45,3.007,6,0.408,0.5,0.996,0.38610273456240146,0.4348228359947913,0.18944040847097526,0.2147899390034953,0.30628897950791584
EOS-2-04012,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5cccnc5Oc5ccccc5)n34)c2)n1,QNRYDMFPUPOWOI-UHFFFAOYSA-N,2,1,0.368,10,342,448.45,3.231,6,0.391,0.63,1.0,0.14639161126721953,0.0792526214789939,0.14207388115961894,0.1535021588650538,0.13030506819272153
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EOS-2-04016,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,AYLGFTIVBPXICV-UHFFFAOYSA-N,2,1,0.531,25,722,448.45,3.231,6,0.391,0.79,1.0,0.3652851072578987,0.22935371119183057,0.23878589541498182,0.24642759235144954,0.26996307655404017
EOS-2-04017,c1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)c1,UDNQJIYKSGAQHW-UHFFFAOYSA-N,2,1,0.433,56,518,448.45,3.007,6,0.408,0.68,1.0,0.5334110067850044,0.4211757247618395,0.2750239873894867,0.23787780138441506,0.3668721300801864
EOS-2-04018,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nc5)n34)cc2)nc1,PXQHCAGQONECSF-UHFFFAOYSA-N,2,1,0.523,56,8,448.45,2.803,6,0.378,0.7,1.0,0.4121033513809883,0.19500890960180933,0.27868206428620385,0.22016140086354602,0.27648893153313686
EOS-2-04019,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)c1,HIHNSIUITWUEOK-UHFFFAOYSA-N,2,1,0.568,40,25,448.45,3.007,6,0.408,0.68,1.0,0.4605150435199781,0.40261976560893703,0.36340895072304846,0.3282931258995271,0.3887092214378727
EOS-2-04020,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccnnc6)nc5)n34)nc2)c1,CTXZZZKHBMVLNV-UHFFFAOYSA-N,2,1,0.447,6,547,448.45,2.803,6,0.378,0.58,1.0,0.24324926324446577,0.21892776368994585,0.3113648824617915,0.25566273730381744,0.25730116167500516
EOS-2-04021,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)cn1,MPWGRWJJVWWWRR-UHFFFAOYSA-N,2,1,0.393,67,622,448.45,3.231,6,0.391,0.73,1.0,0.39268213282160236,0.2753580974573367,0.31137344938660816,0.2556713042286341,0.3087712459735453
EOS-2-04022,Cn1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)cn1,CSLSPAUWTVSRBG-UHFFFAOYSA-N,2,1,0.359,80,957,448.45,3.231,6,0.391,0.68,1.0,0.31779864299910904,0.15740867658145433,0.30759543554245766,0.24372044410938248,0.2566307998081009
EOS-2-04023,c1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)n2)cc1,VCKQYEAERUZWLX-UHFFFAOYSA-N,2,1,0.419,28,288,448.45,2.803,6,0.378,0.66,0.934,0.13309574395175108,0.12798985676101707,0.09980467411417997,0.129874580220684,0.12269121376190803
EOS-2-04024,Cn1nnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nn4)n23)cc1,FWXWRMKQCQRXPA-UHFFFAOYSA-N,2,1,0.446,25,791,448.45,3.231,6,0.391,0.76,1.0,0.4396974162154753,0.3112106778150915,0.16674662463162224,0.18587656774724146,0.2758828216023576
EOS-2-04025,c1cnnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)c1,HLAUSWHERRWBNH-UHFFFAOYSA-N,2,1,0.505,40,425,448.45,3.007,6,0.408,0.69,1.0,0.4466623260914262,0.37414330751833325,0.31513432938112534,0.2676478651223357,0.35089695702830515
EOS-2-04026,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,YCCHOCUVRNIMGE-UHFFFAOYSA-N,2,1,0.506,56,425,448.45,3.007,6,0.408,0.64,1.0,0.5988965800836132,0.3976766499897197,0.3859656637653348,0.3100027414159413,0.4231354088136523
EOS-2-04027,c1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc(-c2nn[nH]n2)c1,LMNOHMUGJYBGGW-UHFFFAOYSA-N,2,1,0.506,40,2,448.45,3.007,6,0.408,0.68,1.0,0.5731786717839764,0.4479302309642931,0.3822647522445343,0.35090980741553013,0.43857086560208347
EOS-2-04028,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cncnc6)nc5)n34)cc2)nn1,AEAZVMPWIRPCAX-UHFFFAOYSA-N,2,1,0.42,56,868,448.45,3.231,6,0.391,0.66,1.0,0.305008224247824,0.26481221300801866,0.34439037763004593,0.28516722637242137,0.2998445103145775
EOS-2-04029,c1cnc(-n2cc(-c3cncc4nnc(-c5ccccc5OCc5ccnnc5)n34)cn2)nc1,CHNCRZDOSUBHQJ-UHFFFAOYSA-N,2,1,0.354,6,151,448.45,2.803,6,0.378,0.75,1.0,0.017527928174902337,0.022393941470769653,0.24228976766499896,0.20857891851141114,0.12269763895552052
EOS-2-04030,c1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncc[nH]6)cn5)n34)c2)cn1,HOASEOYNDGBMOW-UHFFFAOYSA-N,2,1,0.384,80,280,448.45,3.007,6,0.408,0.81,0.999,0.45378144061407716,0.3060790898499075,0.3670070591460489,0.3129583304776917,0.3599564800219313
EOS-2-04031,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cnnn6)nc5)n34)cn2)cc1,IDSVNAYHCYHYKU-UHFFFAOYSA-N,2,1,0.473,28,363,448.45,2.803,6,0.378,0.69,1.0,0.33985847440202865,0.1862877801384415,0.2635443081351518,0.2615996162017682,0.2628225447193475
EOS-2-04032,c1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)nn2)cc1,BNTJZWMURMMCKR-UHFFFAOYSA-N,2,1,0.402,40,363,448.45,3.007,6,0.408,0.63,1.0,0.4033308203687204,0.36939723116989925,0.14502090329655268,0.14611746967308614,0.26596660612706463
EOS-2-04033,c1cc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)nc(-c2nc[nH]n2)c1,CWINVFXXSVDNLO-UHFFFAOYSA-N,2,1,0.462,28,597,448.45,3.007,6,0.408,0.61,1.0,0.30738982934685766,0.24969159070659996,0.24229833458981564,0.2117572476183949,0.25278425056541703
EOS-2-04034,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)cn5)n34)cc2)nc1,LREFUYKNGVAPAX-UHFFFAOYSA-N,2,1,0.523,40,8,448.45,2.803,6,0.378,0.65,1.0,0.3560842300047975,0.20899869782742786,0.28597251730518813,0.2229370845041464,0.26849813241039
EOS-2-04035,c1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6nc[nH]n6)n5)n34)ccn2)nc1,PXFKBZXLQVMCBC-UHFFFAOYSA-N,2,1,0.506,28,297,448.45,3.007,6,0.408,0.61,1.0,0.3492392570762799,0.2856384072373381,0.18298094715920774,0.1616750051401549,0.24488340415324517
EOS-2-04036,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)cn2)nn1,FZYDRFGSTFWNAQ-UHFFFAOYSA-N,2,1,0.311,42,167,448.45,3.372,6,0.395,0.68,1.0,0.15766568432595435,0.14974127887053662,0.16375676787060517,0.13879274895483518,0.15248912000548281
EOS-2-04037,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccnnc6)cn5)n34)cn2)c1,UIFIMIFGWVVYIZ-UHFFFAOYSA-N,2,1,0.419,6,547,448.45,2.803,6,0.378,0.59,1.0,0.2516277157151669,0.12082790761428278,0.30036495099719007,0.252424439723117,0.2313112535124392
EOS-2-04038,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cn2)nc1,DQKIJXTXWRHPGV-UHFFFAOYSA-N,2,1,0.468,80,547,448.45,2.803,6,0.378,0.65,1.0,0.27010657254471937,0.21389897882256184,0.1997549859502433,0.15895072304845453,0.21067781509149475
EOS-2-04039,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccnc(-c6cc[nH]n6)c5)n34)nc2)cn1,YNQIKENQYHTGGA-UHFFFAOYSA-N,2,1,0.484,80,597,448.45,3.007,6,0.408,0.59,1.0,0.3904890000685354,0.35007881570831334,0.3076040024672744,0.25243300664793367,0.3251512062230142
EOS-2-04040,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nn5)n34)cc2)c1,BVOJWLYZBOCSKX-UHFFFAOYSA-N,2,1,0.467,40,25,448.45,2.803,6,0.378,0.7,1.0,0.2861181550270715,0.24479130971146598,0.2635528750599685,0.2616081831265849,0.2640176307312727
EOS-2-04041,c1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)c1,OYQKXJYQXAMDFO-UHFFFAOYSA-N,2,1,0.406,40,763,448.45,3.007,6,0.408,0.6,1.0,0.5002398738948667,0.4566085258035775,0.22783736549928038,0.23199232403536427,0.35416952230827226
EOS-2-04042,c1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc(-c2cncnc2)c1,KMWRVOULMBZNDJ-UHFFFAOYSA-N,2,1,0.463,40,425,448.45,3.007,6,0.408,0.66,1.0,0.43737577959015833,0.39768521691453634,0.315142896305942,0.26161675005140156,0.35295516071550953
EOS-2-04043,Cn1nc(-c2nnc3cncc(OCCc4cscn4)n23)cc1-c1cnc(C#N)c(F)n1,DWODSEHYUZERFT-UHFFFAOYSA-N,2,1,0.5,31,477,448.447,2.071,5,0.383,0.59,0.762,0.494919813583716,0.359785141525598,0.06554554177232541,0.0690579809471592,0.24732711945719965
EOS-2-04044,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)nc5)n34)cc2)cn1,DGGLKBSLTPTTQL-UHFFFAOYSA-N,2,1,0.542,40,78,448.446,3.877,6,0.374,0.67,1.0,0.6187033102597491,0.4026283325337537,0.5413439791652388,0.46213419231032826,0.5062024535672675
EOS-2-04045,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cn2)cc1,FXMZGYSCRZADOG-UHFFFAOYSA-N,2,1,0.483,28,363,448.446,3.877,6,0.374,0.69,1.0,0.41211191830580496,0.3305119594270441,0.3787437461448838,0.35401103419916385,0.36884466451922415
EOS-2-04046,c1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc(-c2nnco2)c1,KFNQONMPAGPFII-UHFFFAOYSA-N,2,1,0.524,77,323,448.446,3.877,6,0.374,0.63,1.0,0.6214532931258995,0.434831402919608,0.5143324652182852,0.4463453498732095,0.5042406277842506
EOS-2-04047,c1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc(-c2cccnn2)c1,HNKPQRKWBGDSQG-UHFFFAOYSA-N,2,1,0.53,77,323,448.446,3.877,6,0.374,0.74,1.0,0.6443441162360359,0.48272051264478105,0.5072818860941677,0.4493523404838599,0.5209247138647112
EOS-2-04048,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,ZJKPZJUATLVYNF-UHFFFAOYSA-N,2,1,0.359,9,894,448.446,3.974,6,0.386,0.71,1.0,0.3745973545336166,0.1651617435405387,0.5106572544719348,0.4240970461243232,0.36862834966760333
EOS-2-04049,c1cc(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)cc(-c2nnco2)c1,JSSJOOOYITZIOU-UHFFFAOYSA-N,2,1,0.5,77,323,448.446,3.877,6,0.374,0.67,1.0,0.4852820231649647,0.4120690836817216,0.4865670618874649,0.4397231169899253,0.45591032143101917
EOS-2-04050,c1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc(-c2nnco2)c1,NTGARYPGWKARKU-UHFFFAOYSA-N,2,1,0.53,77,323,448.446,3.877,6,0.374,0.69,1.0,0.6443526831608526,0.4827290795695977,0.5036323761222672,0.44936090740867657,0.5200187615653485
EOS-2-04051,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)cc5)n34)cn2)nc1,MNKLLUYOSQVEBB-UHFFFAOYSA-N,2,1,0.482,28,120,448.446,3.877,6,0.374,0.74,1.0,0.5307723939414708,0.36436844630251525,0.4146562949763553,0.35725789870468094,0.4167637584812556
EOS-2-04052,c1cncc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)c1,LBHVXZUSVBFOCG-UHFFFAOYSA-N,2,1,0.433,40,59,448.446,3.877,6,0.374,0.72,1.0,0.5436399150161059,0.4391662668768419,0.33705708998697825,0.285175793297238,0.401259766294291
EOS-2-04053,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)nn5)n34)cc2)ccn1,JTKNGRITPPAJMA-UHFFFAOYSA-N,2,1,0.506,81,120,448.446,3.877,6,0.374,0.67,1.0,0.3904975669933521,0.397693783839353,0.42229799191282297,0.3956205880337194,0.40152748269481187
EOS-2-04054,COc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)n1,TVEVBBNQPQRWMY-UHFFFAOYSA-N,2,1,0.345,38,983,448.446,3.974,6,0.386,0.7,1.0,0.3991158933589199,0.2041755191556439,0.3970769652525529,0.3034661777808238,0.3259586388869851
EOS-2-04055,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ncon6)n5)n34)cc2)cc1,YLMIFNIKBMBVTJ-UHFFFAOYSA-N,2,1,0.471,12,285,448.446,3.877,6,0.374,0.72,1.0,0.5590860804605579,0.43483996984442463,0.27077479268041943,0.30347474470564045,0.3920438969227606
EOS-2-04056,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccn6)o5)n34)cc2)cn1,QERQXCREWHKILB-UHFFFAOYSA-N,2,1,0.327,38,641,448.446,3.974,6,0.386,0.79,1.0,0.3050167911726407,0.22936227811664725,0.29686107874717294,0.25847268864368445,0.2724282091700363
EOS-2-04057,COc1cc(-c2cccnn2)ccc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3)n12,UTOGZMPZFSPPIY-UHFFFAOYSA-N,2,1,0.358,9,894,448.446,3.974,6,0.386,0.72,1.0,0.3398670413268453,0.12446885066136659,0.4964875608251662,0.4146477280515386,0.3438677952162292
EOS-2-04058,c1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6conn6)cc5)n34)cn2)cc1,MTRUVFRECUQACU-UHFFFAOYSA-N,2,1,0.512,77,323,448.446,3.877,6,0.374,0.66,1.0,0.5902782537180453,0.345367007059146,0.40791412514563774,0.37375779590158315,0.4293292954561031
EOS-2-04059,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)cn5)n34)cc2)nc1,OLWCVBKYVFOXFX-UHFFFAOYSA-N,2,1,0.583,40,120,448.446,3.877,6,0.374,0.74,1.0,0.4537900075388938,0.3643770132273319,0.39708553217736964,0.3540196011239805,0.39231803851689395
EOS-2-04060,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,XRXWDCXLZHAMMA-UHFFFAOYSA-N,2,1,0.327,32,179,448.446,3.974,6,0.386,0.69,0.999,0.2647693783839353,0.10495339592899733,0.4223065588376396,0.34768007675964635,0.2849273524775547
EOS-2-04061,c1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cccnc6)n5)n34)cc2)nc1,PPXGBAJNXKODBP-UHFFFAOYSA-N,2,1,0.456,40,59,448.446,3.877,6,0.374,0.79,1.0,0.44199335206634227,0.3788122815434172,0.2602460420807347,0.26452093756425193,0.3363931533136865
EOS-2-04062,c1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)o2)c1,ZHDWXUHGCLIXAS-UHFFFAOYSA-N,2,1,0.53,40,25,448.446,3.877,6,0.374,0.68,1.0,0.5026300459187171,0.4120776506065383,0.4110067850044548,0.35726646562949765,0.42074523678980197
EOS-2-04063,COc1cc(-c2nnc3cncc(-c4ccc(-c5ccon5)nc4)n23)ccc1-c1cncnc1,WZXVEHKANJRLEZ-UHFFFAOYSA-N,2,1,0.333,42,170,448.446,3.974,6,0.386,0.64,1.0,0.22969638818449728,0.10840586663011445,0.5482317867178398,0.4493694743334932,0.3339258789664862
EOS-2-04064,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)c1,JRNLYLJGBPCYDW-UHFFFAOYSA-N,2,1,0.523,77,2,448.446,3.877,6,0.374,0.73,1.0,0.6386556781577685,0.3741518744431499,0.48988246179151534,0.4146562949763553,0.47933657734219726
EOS-2-04065,c1coc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)c1,JQBNNQBRWRAFGH-UHFFFAOYSA-N,2,1,0.437,40,621,448.446,3.877,6,0.374,0.71,1.0,0.5562418614214242,0.41208621753135494,0.4515026386128435,0.4046929614145706,0.4561309197450483
EOS-2-04066,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)cc2)nc1,GLODSRPRMZIWCG-UHFFFAOYSA-N,2,1,0.483,77,177,448.446,3.877,6,0.374,0.79,1.0,0.48529059008978137,0.270089438695086,0.42231512576245633,0.3830871770269344,0.39019558289356454
EOS-2-04067,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)no2)nc1,IRCYYNJCVJVTSM-UHFFFAOYSA-N,2,1,0.451,41,59,448.446,3.877,6,0.374,0.78,1.0,0.4121204852306216,0.3977023507641697,0.26025460900555136,0.27313926392981974,0.33580417723254063
EOS-2-04068,COc1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)o1,PHJAYBXLBAICBV-UHFFFAOYSA-N,2,1,0.357,93,594,448.446,3.974,6,0.386,0.75,1.0,0.4442207525186759,0.27009800561990266,0.24950311836063327,0.2645295044890686,0.3070878452470701
EOS-2-04069,COc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cc2)cn1,FRQHWWXLBAPPTI-UHFFFAOYSA-N,2,1,0.333,42,57,448.446,3.974,6,0.386,0.79,1.0,0.36529367418271536,0.17784079226920704,0.4552121170584607,0.3509183743403468,0.33731623946268247
EOS-2-04070,c1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(-c6nnco6)c5)n34)ccn2)cc1,FCKMQZZOLALAON-UHFFFAOYSA-N,2,1,0.472,28,942,448.446,3.877,6,0.374,0.62,1.0,0.5488828730039065,0.2960729216640395,0.3932818175587691,0.3702881913508327,0.40213145089438695
EOS-2-04071,COc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3cnc(-c4cccnc4)nc3)n12,BPXKACIMJKEGPT-UHFFFAOYSA-N,2,1,0.325,42,106,448.446,3.974,6,0.386,0.71,1.0,0.34238571722294564,0.12083647453909944,0.4515112055376602,0.3672554999657323,0.3204972243163594
EOS-2-04072,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cn1,DPOIGDDAXYCDSA-UHFFFAOYSA-N,2,1,0.326,9,57,448.446,3.974,6,0.386,0.74,1.0,0.34473305462271264,0.21893633061476253,0.48657562881228156,0.37376636282639986,0.35600284421903916
EOS-2-04073,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)nc2)nc1,DFTDOVKTLNPVST-UHFFFAOYSA-N,2,1,0.462,28,177,448.446,3.877,6,0.374,0.72,1.0,0.4628281132204784,0.28564697416215473,0.41101535192927147,0.36726406689054897,0.38168862655061336
EOS-2-04074,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccccc6)nn5)n34)cc2)o1,DTFAVBKPUFECFI-UHFFFAOYSA-N,2,1,0.422,12,897,448.446,4.399,6,0.378,0.76,1.0,0.5961722979919128,0.430085326571174,0.30761256939209103,0.27628332533753686,0.40253837982317864
EOS-2-04075,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,KLTUKJQIBWVLCG-UHFFFAOYSA-N,2,1,0.377,9,50,448.446,3.974,6,0.386,0.69,1.0,0.3447416215475293,0.14211671578370227,0.5210917688986362,0.4212099924611062,0.35729002467274346
EOS-2-04076,c1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)c1,LDUYEEUEECCNLE-UHFFFAOYSA-N,2,1,0.511,81,25,448.446,3.877,6,0.374,0.68,1.0,0.4582876430676444,0.37882084846823383,0.41466486190117197,0.3606932355561648,0.4031166472483037
EOS-2-04077,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cc2)nc1,APSOEQBNELPYCA-UHFFFAOYSA-N,2,1,0.554,28,120,448.446,3.877,6,0.374,0.71,1.0,0.6160304297169488,0.37416044136796656,0.3970940991021863,0.3572750325543143,0.43614000068535397
EOS-2-04078,c1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cn2)nc1,ZWNDQKBORBQBAS-UHFFFAOYSA-N,2,1,0.488,40,8,448.446,3.877,6,0.374,0.67,1.0,0.690091494757042,0.4521537248989103,0.3076211363169077,0.2822801727092043,0.4330366321705161
EOS-2-04079,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,WAPDGYJKHIFXTD-UHFFFAOYSA-N,2,1,0.337,9,38,448.446,3.974,6,0.386,0.68,1.0,0.33987560825166196,0.1497498457953533,0.5778647796586938,0.4774004523336303,0.38622267150983486
EOS-2-04080,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)nc2)c1,RCCSGOFNNDPLQM-UHFFFAOYSA-N,2,1,0.44,77,177,448.446,3.877,6,0.374,0.71,1.0,0.43970598314029197,0.2648207799328353,0.4692618737577959,0.427480981426907,0.4003174045644575
EOS-2-04081,c1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccccn6)n5)n34)cc2)nc1,WMATZBYUFUEXTK-UHFFFAOYSA-N,2,1,0.456,28,120,448.446,3.877,6,0.374,0.79,1.0,0.4420019189911589,0.3788294153930505,0.2033188266739771,0.21733431567404565,0.31037111918305804
EOS-2-04082,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnoc6)nc5)n34)cn2)c1,WXUVFDSDDSKCDE-UHFFFAOYSA-N,2,1,0.519,28,78,448.446,3.877,6,0.374,0.63,1.0,0.49492838050853266,0.31121924473990814,0.5036409430470838,0.43055650743609075,0.4350862689329038
EOS-2-04083,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)cc5)n34)cn2)cn1,RGVFCPHLQZGPCV-UHFFFAOYSA-N,2,1,0.494,28,297,448.446,3.877,6,0.374,0.61,1.0,0.5873055308066616,0.40263689945857034,0.49309505859776576,0.42121855938592284,0.47606401206223015
EOS-2-04084,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ncco6)cc5)n34)cn2)cn1,VGXIAJIMUALHGZ-UHFFFAOYSA-N,2,1,0.44,32,870,448.446,4.399,6,0.378,0.72,1.0,0.48273764649441436,0.3163165650058255,0.3932903844835858,0.3129668974025084,0.3763278733465835
EOS-2-04085,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nc5)n34)cc2)nc1,RCJRLLDNXSXOCB-UHFFFAOYSA-N,2,1,0.523,81,120,448.446,3.877,6,0.374,0.7,1.0,0.6074806387499143,0.34025255294359535,0.4146734288259886,0.3672726338153656,0.43241981358371595
EOS-2-04086,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)cc1,FXWYYOJXWKPTTC-UHFFFAOYSA-N,2,1,0.483,12,285,448.446,3.877,6,0.374,0.67,1.0,0.5002484408196833,0.3788379823178672,0.34843396614351313,0.3672812007401823,0.3987003975053115
EOS-2-04087,c1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)nc1,ATADRDOHQKHJPQ-UHFFFAOYSA-N,2,1,0.5,28,120,448.446,3.877,6,0.374,0.59,1.0,0.46283668014529505,0.3353437050236447,0.3634175176478651,0.3251576314166267,0.3716888835583579
EOS-2-04088,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2)cn1,RICZDLNBAAIZGW-UHFFFAOYSA-N,2,1,0.538,77,245,448.446,3.877,6,0.374,0.64,1.0,0.6534764580906038,0.4433726269618258,0.5311579055582208,0.4557004317730108,0.5209268555959153
EOS-2-04089,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cocn6)n5)n34)cn2)cc1,POHAJRHRLUJARP-UHFFFAOYSA-N,2,1,0.407,28,363,448.446,3.877,6,0.374,0.62,1.0,0.4582962099924611,0.35979370845041464,0.2786906312110205,0.2703721472140361,0.3417881742169831
EOS-2-04090,c1coc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)c1,YXHJNVILZHBNKM-UHFFFAOYSA-N,2,1,0.447,40,355,448.446,3.877,6,0.374,0.74,1.0,0.485299157014598,0.3548505928311973,0.4515197724624769,0.4047015283393873,0.42409276266191487
EOS-2-04091,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)cn5)n34)cc2)nc1,OWYDGXKZFCLWCG-UHFFFAOYSA-N,2,1,0.566,40,25,448.446,3.877,6,0.374,0.74,1.0,0.45612877801384416,0.35008738263313,0.4146819957508053,0.34454458227674595,0.39136068466863133
EOS-2-04092,c1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)nc1,IURCQQKUJQRYAB-UHFFFAOYSA-N,2,1,0.478,28,177,448.446,3.877,6,0.374,0.69,1.0,0.4260160372832568,0.26482934685765197,0.3747943938044,0.347688643684463,0.353332105407443
EOS-2-04093,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc[nH]c6=O)cc5)n34)cn2)no1,WJQNOXKTJASBLR-UHFFFAOYSA-N,2,1,0.276,9,57,448.446,3.567,6,0.433,0.69,1.0,0.2971866218902063,0.18190151463230758,0.3151514632307587,0.32207353848262626,0.2790782845589747
EOS-2-04094,c1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc(-c2cncnc2)c1,VBGVPOGVCLDHBY-UHFFFAOYSA-N,2,1,0.506,77,190,448.446,3.877,6,0.374,0.7,1.0,0.5873140977314784,0.4120947844561716,0.5748063874991433,0.5088582002604345,0.5207683674868069
EOS-2-04095,c1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncno6)cc5)n34)cn2)ccn1,PKNWBSNUZZHATC-UHFFFAOYSA-N,2,1,0.536,40,78,448.446,3.877,6,0.374,0.71,1.0,0.49751559180316635,0.31632513193064216,0.5106658213967514,0.4241056130491399,0.43715303954492496
EOS-2-04096,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)nc2)c1,ZHHNQCHUJIYEHH-UHFFFAOYSA-N,2,1,0.443,77,177,448.446,3.877,6,0.374,0.72,1.0,0.49006236721266533,0.2753666643821534,0.4865841957370982,0.4368189294770749,0.4222080392022479
EOS-2-04097,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)nc1,AUZOLPHBRMETBO-UHFFFAOYSA-N,2,1,0.561,41,78,448.446,3.877,6,0.374,0.67,1.0,0.6326245630868343,0.38826159961620177,0.42940853951065727,0.35728359947913096,0.4518945754232061
EOS-2-04098,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)nc1,RDDMGMYGQRQMGP-UHFFFAOYSA-N,2,1,0.483,77,120,448.446,3.877,6,0.374,0.59,1.0,0.5285192927146871,0.3213624837228429,0.35957096840518127,0.3283016928243438,0.3844386094167638
EOS-2-04099,c1coc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cc2)c1,RSKFSMJGDQDOPC-UHFFFAOYSA-N,2,1,0.447,40,355,448.446,3.877,6,0.374,0.72,1.0,0.4466708930162429,0.3694057980947159,0.45522068398327736,0.41152080049345485,0.4207045438969228
EOS-2-04100,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cn2)nc1,JAIWOBAKVODKTI-UHFFFAOYSA-N,2,1,0.494,28,297,448.446,3.877,6,0.374,0.71,1.0,0.5731872387087931,0.39281920361866907,0.4370331025974916,0.37695325885820025,0.4449982009457885
EOS-2-04101,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnoc6)cn5)n34)cc2)nc1,ZDBWSPIQSWLPPE-UHFFFAOYSA-N,2,1,0.523,40,120,448.446,3.877,6,0.374,0.64,1.0,0.434780001370708,0.340261119868412,0.4294171064354739,0.38309574395175106,0.39688849290658623
EOS-2-04102,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)cn2)nc1,AFFVMDJLALELHP-UHFFFAOYSA-N,2,1,0.461,28,297,448.446,3.877,6,0.374,0.71,1.0,0.5150777876773354,0.3882701665410184,0.4184257418956891,0.367289767664999,0.42226586594476045
EOS-2-04103,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnoc6)nn5)n34)cn2)cc1,IFKIAQLGXHTZEC-UHFFFAOYSA-N,2,1,0.444,28,363,448.446,3.877,6,0.374,0.63,1.0,0.39050613391816874,0.29608148858885613,0.37480296072921665,0.36729833458981564,0.3571722294565143
EOS-2-04104,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)cn5)n34)cc2)cn1,ZZBYIZXMWCTVIT-UHFFFAOYSA-N,2,1,0.56,40,25,448.446,3.877,6,0.374,0.64,1.0,0.43478856829552465,0.354859159756014,0.4795164827633473,0.4081282982660544,0.4193231272702351
EOS-2-04105,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)c2)nc1,QGJNRGUNRYYGJN-UHFFFAOYSA-N,2,1,0.467,28,177,448.446,3.877,6,0.374,0.74,1.0,0.44667945994105956,0.28026694537728736,0.4079226920704544,0.3737749297512165,0.37716100678500447
EOS-2-04106,c1coc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cc2)c1,ZNEDRQHTWKDJIP-UHFFFAOYSA-N,2,1,0.473,40,355,448.446,3.877,6,0.374,0.66,1.0,0.47794873552189704,0.37884654924268385,0.46551812761291206,0.41152936741827156,0.4334606949489411
EOS-2-04107,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)cn5)n34)cc2)cn1,CWVGQUDQRRAPCB-UHFFFAOYSA-N,2,1,0.547,40,25,448.446,3.877,6,0.374,0.65,1.0,0.4537985744637105,0.39771091768898637,0.5413525460900556,0.4650897813720787,0.4644879549037078
EOS-2-04108,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cc2)ccn1,OSQSMXISOPNIQK-UHFFFAOYSA-N,2,1,0.575,40,78,448.446,3.877,6,0.374,0.66,1.0,0.5409927352477555,0.397719484613803,0.4655266945377287,0.42411417997395656,0.45708827359331095
EOS-2-04109,c1ccc(-c2ccon2)c(COc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)c1,ZOCNJBZLEMXOEG-UHFFFAOYSA-N,2,1,0.43,28,78,448.446,3.877,6,0.374,0.67,1.0,0.3699369474333493,0.2396254540470153,0.5515557535467068,0.5023302035501337,0.41586208964430127
EOS-2-04110,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2)nc1,SKBKNCDXRFTCSO-UHFFFAOYSA-N,2,1,0.576,81,120,448.446,3.877,6,0.374,0.7,1.0,0.4166352546090056,0.3598022753752313,0.41469056267562193,0.3702967582756494,0.39035621273387705
EOS-2-04111,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cnc5F)n34)cn2)cn1,RADQXNWGDCVKOE-UHFFFAOYSA-N,2,1,0.49,65,468,448.437,3.364,5,0.352,0.69,1.0,0.5384740593516552,0.48748372284284835,0.4757727366184634,0.4212271263107395,0.48073941128092657
EOS-2-04112,CCn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)c(F)c1,VIKKFDFQTCLLIR-UHFFFAOYSA-N,2,1,0.538,37,669,448.437,3.364,5,0.352,0.64,1.0,0.4853077239394147,0.46978445617161263,0.4655352614625454,0.46509834829689534,0.471431447467617
EOS-2-04113,CCn1cc(-c2nc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccc2F)cn1,KQSPOLAXLLYRMD-UHFFFAOYSA-N,2,1,0.416,31,477,448.437,3.364,5,0.377,0.69,0.998,0.4926324446576657,0.32137105064765953,0.3443989445548626,0.3540281680487972,0.3781076519772463
EOS-2-04114,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)cn1,ORJKWRCNVJQUDQ-UHFFFAOYSA-N,2,1,0.522,84,908,448.437,3.364,5,0.377,0.62,1.0,0.6271417312041669,0.590569529161812,0.42598176958399014,0.44635391679802616,0.5225117366869988
EOS-2-04115,FCCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)cn1,NTTYYIFOFLSHQM-UHFFFAOYSA-N,2,1,0.5,75,329,448.437,3.175,5,0.36,0.7,1.0,0.4728599821807964,0.4072287711603043,0.3484425330683298,0.3476972106092797,0.39405712425467754
EOS-2-04116,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)nc(F)c5)n34)ccn2)cn1,RCOCTLNXWJTCPC-UHFFFAOYSA-N,2,1,0.536,75,329,448.437,3.364,5,0.352,0.66,1.0,0.4628452470701117,0.30608765677472416,0.5036495099719005,0.43378623809197453,0.4265921629771777
EOS-2-04117,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5cc(CF)nn5C)c4)n23)c1F,VFXBWNTWLYVTNK-UHFFFAOYSA-N,2,1,0.441,75,606,448.437,3.478,5,0.392,0.6,1.0,0.4189654581591392,0.3741690082927832,0.45152833938729353,0.36070180248098144,0.40134115208004933
EOS-2-04118,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccnc4C(F)F)n23)ccn1,VVCFVKBQGVEKIF-UHFFFAOYSA-N,2,1,0.453,75,624,448.437,3.981,5,0.372,0.72,1.0,0.5077530669590844,0.35486772668083066,0.5969518881502296,0.45265060653827704,0.4780558220821054
EOS-2-04119,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)nc1,QTZCYEMMCYHJBC-UHFFFAOYSA-N,2,1,0.444,84,908,448.437,3.364,5,0.377,0.61,1.0,0.5539373586457406,0.5014649441436502,0.43329792337742445,0.4526591734630937,0.48533984990747725
EOS-2-04120,CCCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cn2)cn1,AJZNPYQEMMBFCK-UHFFFAOYSA-N,2,1,0.423,55,468,448.437,3.712,5,0.35,0.66,1.0,0.4561373449386608,0.4121033513809883,0.4478959632650264,0.39879891714070315,0.42873389418134467
EOS-2-04121,FCCn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)n1,UPWYLYBIIKOQEL-UHFFFAOYSA-N,2,1,0.528,15,669,448.437,3.175,5,0.337,0.68,1.0,0.6841032143101912,0.6045079158385306,0.3042115002398739,0.310011308340758,0.47570848468233845
EOS-2-04122,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnncc4F)n23)ccc1F,BPMMNYOBHHFBFA-UHFFFAOYSA-N,2,1,0.516,26,125,448.437,3.364,5,0.377,0.64,1.0,0.7357617709546981,0.5951699677883627,0.5969604550750462,0.5620074018230417,0.6224748989102872
EOS-2-04123,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)c2)nn1C,QQUQEPUYYVJURG-UHFFFAOYSA-N,2,1,0.547,84,672,448.437,3.19,5,0.394,0.72,1.0,0.4876036597902817,0.4348485367692413,0.39329895140840243,0.3925964635734357,0.42708690288534024
EOS-2-04124,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnc(F)c(F)c5)n34)cc2)n(C)n1,DSCDTGYKMVNHTH-UHFFFAOYSA-N,2,1,0.578,15,320,448.437,3.19,5,0.368,0.67,1.0,0.7237937769858132,0.6328558700568844,0.39710266602700295,0.3540367349736139,0.5269472620108286
EOS-2-04125,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cnc5F)n34)cc2)n1C,MEBMQGWUTJNILZ-UHFFFAOYSA-N,2,1,0.571,15,187,448.437,3.19,5,0.368,0.68,1.0,0.7595264203961346,0.6766414227948736,0.3521691453635803,0.3412463162223288,0.5323958261942293
EOS-2-04126,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(F)c(C)n4)n23)ccc1F,CFYBPQPKYPMZSK-UHFFFAOYSA-N,2,1,0.432,26,911,448.437,3.63,5,0.391,0.75,1.0,0.5813686519087109,0.5240644918100199,0.4515369063121102,0.39260503049825235,0.48739377013227336
EOS-2-04127,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)c1,WIVVMNUSSJKKFE-UHFFFAOYSA-N,2,1,0.459,65,905,448.437,3.364,5,0.352,0.63,0.954,0.507761633883901,0.41677232540607223,0.5841614693989445,0.5023387704749503,0.502758549790967
EOS-2-04128,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccn1,XNMVVMGLYZMBGT-UHFFFAOYSA-N,2,1,0.465,75,624,448.437,3.364,5,0.352,0.62,0.999,0.5307809608662875,0.41211191830580496,0.44790453018984305,0.392613597423069,0.44585275169625116
EOS-2-04129,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2F)n(C)n1,DKNLEWUTMUDTAP-UHFFFAOYSA-N,2,1,0.552,37,619,448.437,3.19,5,0.394,0.63,1.0,0.672066684942773,0.6571945034610376,0.38597423069015147,0.38310431087656777,0.5245849324926325
EOS-2-04130,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c(F)c1,HSYFWHKOXHSJFM-UHFFFAOYSA-N,2,1,0.495,37,589,448.437,3.364,5,0.377,0.67,1.0,0.7175142210951957,0.6279727229113837,0.4007436090740868,0.42123569323555615,0.5418665615790556
EOS-2-04131,CCc1cnc(COc2cncc3nnc(-c4ccc(-c5cc(C)[nH]n5)c(F)c4F)n23)nc1,RDVNPLQANMEHFG-UHFFFAOYSA-N,2,1,0.406,16,196,448.437,3.699,5,0.422,0.68,0.94,0.6271502981289836,0.6422109519566856,0.5143410321431019,0.4337948050167912,0.5543742718113905
EOS-2-04132,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)nc1F,BZGGWXXQBARNKY-UHFFFAOYSA-N,2,1,0.42,18,773,448.437,3.364,5,0.352,0.61,1.0,0.5618274964018916,0.40723733808512097,0.4931036255225824,0.4429699814954424,0.47628461037625935
EOS-2-04133,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(CF)c5)n34)ccc2F)c(=N)[nH]1,CRKNFGCHUVXZDS-UHFFFAOYSA-N,2,1,0.495,16,253,448.437,3.187,5,0.415,0.53,1.0,0.5202436433417861,0.4970358440134329,0.7000805290932767,0.5993163593996299,0.5791690939620314
EOS-2-04134,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cn1,UKMWUHJPDQAPOR-UHFFFAOYSA-N,2,1,0.47,26,304,448.437,3.364,5,0.377,0.76,1.0,0.5989051470084299,0.4697930230964293,0.48294325269001437,0.4305650743609074,0.4955516242889453
EOS-2-04135,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)ncn1,BRKGBUQPEHXPRB-UHFFFAOYSA-N,2,1,0.457,31,864,448.437,3.364,5,0.377,0.6,1.0,0.497524158727983,0.2960900555136728,0.5036580768967172,0.4835258035775478,0.4451995236789802
EOS-2-04136,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ncn1,BAPPBMJKOPLVRD-UHFFFAOYSA-N,2,1,0.538,31,864,448.437,3.364,5,0.377,0.65,0.958,0.584512713316428,0.33052052635186074,0.5448135837159893,0.502347337399767,0.49054854019601124
EOS-2-04137,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)cn2)cn1,AEWMQSGJSZJIKT-UHFFFAOYSA-N,2,1,0.485,87,468,448.437,3.364,5,0.377,0.69,1.0,0.5384826262764718,0.46531252141731205,0.47952504968816395,0.42748954835172365,0.47770243643341787
EOS-2-04138,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)ccn2)cn1,UDDCVHMDHQNBIQ-UHFFFAOYSA-N,2,1,0.454,75,329,448.437,3.364,5,0.377,0.65,1.0,0.47795730244671375,0.36438558015214856,0.4407511479679254,0.404710095264204,0.4219510314577479
EOS-2-04139,CCn1ccnc1-c1cc(F)ncc1-c1nnc2cncc(OCCc3cncc(F)c3)n12,UFXMZIJRVYIABH-UHFFFAOYSA-N,2,1,0.454,65,262,448.437,3.364,5,0.352,0.59,1.0,0.6534850250154205,0.47869405798094716,0.4259903365088068,0.4081368651908711,0.49157657117401143
EOS-2-04140,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cn2)n(C)n1,RHESEPGIQYALQX-UHFFFAOYSA-N,2,1,0.533,84,73,448.437,3.19,5,0.394,0.65,1.0,0.5933109451031457,0.59990747721198,0.3634260845726818,0.3607103694057981,0.4793387190734014
EOS-2-04141,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cnn(C)c1,GUBIBDIGLVLDKP-UHFFFAOYSA-N,2,1,0.517,43,623,448.433,4.058,5,0.39,0.72,1.0,0.7565622644095675,0.6718353779727229,0.9004437667055034,0.8173445959838257,0.7865465012679048
EOS-2-04142,Cn1cc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(-c2ccccc2)n1,PQIOIWUXMFXJTN-UHFFFAOYSA-N,2,1,0.707,1,431,448.433,4.372,5,0.368,0.83,1.0,0.4949369474333493,0.5702059488725927,0.8291840860804606,0.7747327119457199,0.6672649235830306
EOS-2-04143,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1ccn(C)n1,OYPQRMLGHDSNBS-UHFFFAOYSA-N,2,1,0.506,43,178,448.433,4.058,5,0.39,0.73,1.0,0.762713316427935,0.6766499897196903,0.8697313412377493,0.7700808717702693,0.769793879788911
EOS-2-04144,OCCn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)cn1,SWRFNPSNAVOXNV-UHFFFAOYSA-N,2,1,0.558,43,623,448.433,3.504,5,0.41,0.71,1.0,0.659661777808238,0.5014735110684668,0.8407237338085121,0.8108594338976081,0.7031796141457063
EOS-2-04145,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)cn1,DVNMXFONSFNYOY-UHFFFAOYSA-N,2,1,0.771,1,431,448.433,4.372,5,0.368,0.78,1.0,0.7020080871770269,0.6572030703858543,0.9323384277979576,0.8758995271057501,0.7918622781166472
EOS-2-04146,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cn(C)cn1,MWHNMAISNZUZOL-UHFFFAOYSA-N,2,1,0.658,43,96,448.433,4.058,5,0.39,0.75,1.0,0.9270355013364403,0.7693869508601192,0.8853745459529847,0.7935028442190392,0.8438249605921458
EOS-2-04147,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cnn(C)c1,GIYIPIIOIQEPGO-UHFFFAOYSA-N,2,1,0.675,43,96,448.433,4.058,5,0.39,0.71,1.0,0.8498817764375299,0.7340997875402645,0.9070745665136043,0.8251319306421767,0.8290470152833938
EOS-2-04148,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)cc1O,DNGUCQTZVSIOFU-UHFFFAOYSA-N,2,1,0.563,91,70,448.433,3.797,5,0.425,0.63,1.0,0.7995082585155233,0.6815331368651909,0.8488708793091632,0.7957559454458227,0.781417055033925
EOS-2-04149,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)n1,XORXZBLNMQFIJZ-UHFFFAOYSA-N,2,1,0.733,1,431,448.433,4.372,5,0.368,0.82,1.0,0.6811561921732575,0.6865362209581248,0.9059865670618875,0.8412377492975122,0.7787291823726955
EOS-2-04150,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4cnc(-c5ncco5)s4)n23)no1,BPHZDOFHNFUHDN-UHFFFAOYSA-N,2,1,0.456,6,843,448.428,2.265,6,0.369,0.49,1.0,0.21579226920704545,0.12447741758618326,0.009483585772051264,0.0060396819957508055,0.08894823864025769
EOS-2-04151,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)cn1,PZKITHRQDHLWAP-UHFFFAOYSA-N,2,1,0.357,86,443,448.425,3.301,6,0.4,0.7,1.0,0.23535912548831472,0.3788551161675005,0.32976663696799396,0.35092694126516344,0.32372695497224313
EOS-2-04152,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cnccn6)nc5)n34)nc2)n1,NDXUTERTFOHHIN-UHFFFAOYSA-N,2,1,0.312,86,459,448.425,3.301,6,0.374,0.58,1.0,0.2778168048797204,0.3213796175724762,0.32250188472345964,0.35093550818998015,0.3181584538414091
EOS-2-04153,Fc1ncccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cn1,XQSMMCIVDRYHEV-UHFFFAOYSA-N,2,1,0.326,86,443,448.425,3.301,6,0.374,0.58,0.998,0.27266808306490303,0.3882787334658351,0.3971112329518196,0.40471866218902064,0.3656941779178946
EOS-2-04154,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccncc6)n5)n34)cn2)ccn1,ZBLUHDUQIBPFSU-UHFFFAOYSA-N,2,1,0.364,42,723,448.425,3.301,6,0.374,0.65,0.996,0.2564937290110342,0.3353522719484614,0.41469912960043864,0.4463624837228429,0.36322690357069426
EOS-2-04155,Fc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)nn1,ZXJZQEWBQCJSSQ-UHFFFAOYSA-N,2,1,0.312,76,191,448.425,3.301,6,0.4,0.54,1.0,0.26727948735521895,0.31633369885545887,0.33706565691179496,0.3509440751147968,0.3179057295593174
EOS-2-04156,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)nn2)n1,HFZWNJYCFOMKBN-UHFFFAOYSA-N,2,1,0.306,94,887,448.425,3.301,6,0.374,0.6,0.709,0.25163628263998356,0.32596292234939345,0.40075217599890345,0.4241227468987732,0.3506185319717634
EOS-2-04157,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4nnc(-c5cccnc5)nn4)n23)cc1,MBUYWPCWJSKUFY-UHFFFAOYSA-N,2,1,0.368,8,474,448.425,3.301,6,0.4,0.68,1.0,0.22698923994243025,0.38362689329038446,0.23159824549379754,0.37030532520046605,0.3031299259817696
EOS-2-04158,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)nc1,MFSPDSIROKIONC-UHFFFAOYSA-N,2,1,0.338,94,167,448.425,3.301,6,0.4,0.62,1.0,0.30502535809745734,0.3836354602152012,0.42599890343362345,0.4241313138235899,0.38469775889246793
EOS-2-04159,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)cn1,LJDFDFLXLADAQB-UHFFFAOYSA-N,2,1,0.333,86,443,448.425,3.301,6,0.374,0.66,1.0,0.270115139469536,0.3882873003906518,0.4294256733602906,0.43057364128572406,0.3796004386265506
EOS-2-04160,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ncccn6)n5)n34)cc2)nc1,TVGAOYKCERYLOD-UHFFFAOYSA-N,2,1,0.325,38,186,448.425,3.301,6,0.4,0.57,1.0,0.3303663217051607,0.38364402714001783,0.282442944280721,0.35404530189843053,0.33762464875608256
EOS-2-04161,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)nc1,XJGFVCJQYGTKDS-UHFFFAOYSA-N,2,1,0.286,42,339,448.425,3.301,6,0.4,0.64,1.0,0.2807124254677541,0.27537523130697006,0.3297752038928106,0.38611986841203483,0.3179956822698924
EOS-2-04162,Fc1cccc(-c2cc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)ncn2)n1,IQDCBRNHXXSNSI-UHFFFAOYSA-N,2,1,0.293,30,543,448.425,3.301,6,0.374,0.59,0.951,0.2105321773696114,0.19501747652662602,0.2387944623397985,0.334898224933178,0.24481058529230348
EOS-2-04163,Fc1cncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)n1,OFOHPGUMTPLDHO-UHFFFAOYSA-N,2,1,0.342,38,186,448.425,3.301,6,0.4,0.73,0.988,0.264777945308752,0.3402696867932287,0.2895791926530053,0.3673069015146323,0.31548343156740455
EOS-2-04164,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1,RFXKVQMRFJJHEW-UHFFFAOYSA-N,2,1,0.306,10,543,448.425,3.301,6,0.4,0.71,1.0,0.2241278870536632,0.3060962236995408,0.2674251250771023,0.36397436776094855,0.2904059008978137
EOS-2-04165,Fc1cncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)c1,ZPUQTXZCHCDNCQ-UHFFFAOYSA-N,2,1,0.305,42,171,448.425,3.301,6,0.4,0.72,1.0,0.2945994105955726,0.37886368309231716,0.4620313892125283,0.5159087793845522,0.4128508155712426
EOS-2-04166,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cn2)cn1,ULKOFYKVPGIDTA-UHFFFAOYSA-N,2,1,0.31,70,392,448.425,3.301,6,0.374,0.69,1.0,0.2701237063943527,0.31122781166472485,0.5000514015489,0.5023559043245837,0.3959397059831403
EOS-2-04167,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1nc(C)no1,SUAJRVSXTMQCMZ-UHFFFAOYSA-N,2,1,0.439,49,501,448.418,2.709,5,0.367,0.6,0.995,0.5539459255705572,0.37417757521759987,0.09478445617161264,0.06228154341717497,0.2712973750942362
EOS-2-04168,COCc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)no1,VHQSJSIBLHSADN-UHFFFAOYSA-N,2,1,0.51,65,578,448.418,2.538,5,0.327,0.7,1.0,0.49753272565279966,0.510160372832568,0.15404187512850387,0.13432938112535125,0.32401608868480564
EOS-2-04169,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1nnc(C)o1,QNIGYOFMKVMLQD-UHFFFAOYSA-N,2,1,0.443,49,501,448.418,2.709,5,0.367,0.6,0.981,0.5590946473853745,0.38829586731546845,0.09720889589472963,0.06391782605715852,0.2771293091631828
EOS-2-04170,COc1nc(-c2nnc3cncc(OCCc4nnc(CF)o4)n23)ccc1-c1ccccn1,BMTYDIXUWZGBOO-UHFFFAOYSA-N,2,1,0.467,49,501,448.418,2.731,5,0.35,0.57,0.697,0.490070934137482,0.2910355698718388,0.02893907203070386,0.023404838599136453,0.20836260365979029
EOS-2-04171,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)s5)n34)cn2)cnc1F,FZFKMDVBBZXMFR-UHFFFAOYSA-N,2,1,0.457,55,390,448.418,3.434,5,0.376,0.63,1.0,0.6271588650538003,0.7433777671167158,0.6213590569529162,0.5935508189980124,0.6463616270303612
EOS-2-04172,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1noc(C)n1,UJIUUXOYMVAJGZ-UHFFFAOYSA-N,2,1,0.449,49,896,448.418,2.709,5,0.367,0.54,0.998,0.5786358028921939,0.434857103694058,0.0879566170927284,0.06229011034199164,0.290934908505243
EOS-2-04173,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1noc(C)n1,LLFCKMDZMAGWFT-UHFFFAOYSA-N,2,1,0.438,49,896,448.418,2.709,5,0.343,0.55,1.0,0.5989137139332465,0.4300938934959907,0.1129463367829484,0.07484922212322664,0.30420079158385305
EOS-2-04174,COc1nc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1nc(C)no1,VHBRJALSBADAJK-UHFFFAOYSA-N,2,1,0.378,49,606,448.418,2.975,5,0.382,0.65,1.0,0.5307895277911041,0.3836525940648345,0.1572030703858543,0.08195120279624427,0.2883990987595093
EOS-2-04175,COCc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)no1,BNFYDFHFJRMZGK-UHFFFAOYSA-N,2,1,0.485,87,304,448.418,2.538,5,0.349,0.65,1.0,0.5334195737098211,0.5331454321156878,0.11595332739359879,0.11203824275238161,0.3236391439928723
EOS-2-04176,COCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)o1,GHSYVIWLJKSLRB-UHFFFAOYSA-N,2,1,0.5,65,904,448.418,2.538,5,0.349,0.66,1.0,0.5705657597148928,0.4741107532040299,0.1734116921389898,0.15103488451785346,0.3422807723939415
EOS-2-04177,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1coc(=O)n1C,FGXZUUBXXGOTMX-UHFFFAOYSA-N,2,1,0.484,97,591,448.414,2.872,5,0.365,0.64,1.0,0.6414741964224522,0.4610890274826948,0.5346789116578713,0.3769618257830169,0.5035509903365087
EOS-2-04178,Cc1c(F)cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cn1,CMZPNWKHYZFLTK-UHFFFAOYSA-N,2,1,0.633,59,294,448.408,4.553,5,0.393,0.72,1.0,0.9393804399972586,0.9279692961414571,0.9365019532588582,0.9164981838119388,0.9300874683023782
EOS-2-04179,FC(F)(F)c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,LAMUNEVKFPQRAU-UHFFFAOYSA-N,2,1,0.518,1,805,448.408,4.846,5,0.383,0.84,1.0,0.8894267013912686,0.8566410801178809,0.9748817764375299,0.9414707696525255,0.9156050818998012
EOS-2-04180,COc1ncc(-c2cccnc2F)cc1-c1cncc2nnc(-c3ccc(C(F)F)cc3)n12,MFIQTALCQHPBMK-UHFFFAOYSA-N,2,1,0.365,96,680,448.408,5.001,5,0.352,0.77,1.0,0.5488914399287231,0.7015540401617435,0.9470649715578096,0.912266122952505,0.7774441436501952
EOS-2-04181,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)nc2)cc1,YTOJPLFMNCCZDB-UHFFFAOYSA-N,2,1,0.462,88,384,448.408,4.287,5,0.386,0.77,1.0,0.8522890823110136,0.8714961277499829,0.8776728805428003,0.8859913645397848,0.8718623637858954
EOS-2-04182,Fc1cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1-c1cncnc1,ALHDRMKVKHCLHO-UHFFFAOYSA-N,2,1,0.622,88,222,448.408,4.287,5,0.386,0.7,1.0,0.9659893084778288,0.9705554794051128,0.9434839969844425,0.9363306147625249,0.9540898499074772
EOS-2-04183,Fc1cc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)ccc1-c1cncnc1,VSBRMCAGIVQEKU-UHFFFAOYSA-N,2,1,0.612,88,222,448.408,4.287,5,0.386,0.73,1.0,0.9675227880200123,0.9691505037351792,0.9331094510314577,0.9312761291206908,0.9502647179768349
EOS-2-04184,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)nc1,YVXMBSSEXJJFAA-UHFFFAOYSA-N,2,1,0.552,88,111,448.408,4.287,5,0.361,0.69,1.0,0.9331180179562745,0.9548266054417106,0.8992186964567199,0.8940357069426359,0.9202997566993352
EOS-2-04185,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)nn1,VUTBPZQKPKJJSG-UHFFFAOYSA-N,2,1,0.737,91,781,448.408,4.287,5,0.386,0.75,1.0,0.9865584949626482,0.9860273456240148,0.9135083270509218,0.9030309780001371,0.9472812864094304
EOS-2-04186,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5cccnn5)c4)n23)c1,HOMMPTQELKXBIM-UHFFFAOYSA-N,2,1,0.565,88,70,448.408,4.287,5,0.386,0.69,1.0,0.9690048660132958,0.9746590363922967,0.9212613940100062,0.9219810156946062,0.9467265780275512
EOS-2-04187,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)nc2)c1,JYIYXWXBSAQBSU-UHFFFAOYSA-N,2,1,0.506,84,384,448.408,4.287,5,0.386,0.76,1.0,0.8819477760263176,0.8821276814474677,0.9088650538002878,0.9099616201768214,0.8957255328627236
EOS-2-04188,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)nn1,CLJZVKPBDBLKEO-UHFFFAOYSA-N,2,1,0.731,91,613,448.408,4.287,5,0.386,0.77,1.0,0.9592300047974779,0.9585446508121445,0.9079912274689877,0.8994414365019533,0.9313018298951408
EOS-2-04189,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)c1F,YDMWWEQXFLXNLA-UHFFFAOYSA-N,2,1,0.598,88,300,448.408,4.287,5,0.361,0.73,1.0,0.9493437735590432,0.9341289150846412,0.8840124049071345,0.8703138921252828,0.9094497464190255
EOS-2-04190,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,PQBLAXNLIDMRRO-UHFFFAOYSA-N,2,1,0.467,1,676,448.408,4.846,5,0.383,0.76,1.0,0.5591032143101912,0.6279812898362004,0.9688506613665958,0.9372301418682749,0.7732913268453155
EOS-2-04191,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)nn2)cc1,DQTIXTWWTXORRP-UHFFFAOYSA-N,2,1,0.697,19,691,448.408,4.287,5,0.386,0.83,0.999,0.9586046192858612,0.9484785141525598,0.8922709204304023,0.9054554177232541,0.9262023678980194
EOS-2-04192,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)cn1,DESVOSBTNMIXQZ-UHFFFAOYSA-N,2,1,0.576,84,884,448.408,4.287,5,0.361,0.7,1.0,0.9151874443149887,0.9309163182783908,0.9284233431567405,0.921989582619423,0.9241291720923857
EOS-2-04193,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)cc1,JGCQOEWTURKESS-UHFFFAOYSA-N,2,1,0.537,1,676,448.408,4.846,5,0.383,0.71,1.0,0.9091734630936879,0.8628692344595984,0.9692533068329793,0.935551024604208,0.9192117572476184
EOS-2-04194,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1,LXFJYYPTZNASIC-UHFFFAOYSA-N,2,1,0.57,1,138,448.408,4.846,5,0.383,0.76,1.0,0.9539270783359606,0.8874991433075183,0.9850078815708313,0.9617229799191283,0.9470392707833597
EOS-2-04195,Cc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1cccnc1,AQNITSWNOCPMAV-UHFFFAOYSA-N,2,1,0.435,59,445,448.408,4.553,5,0.367,0.71,0.999,0.8358320197381948,0.7522102666027003,0.9183657734219725,0.892664998971969,0.8497682646837091
EOS-2-04196,Fc1ncccc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1,JAPSAFDVBCPDCX-UHFFFAOYSA-N,2,1,0.517,97,676,448.408,4.904,5,0.344,0.74,1.0,0.9642330888904119,0.8998183811938867,0.9654495922143788,0.9454458227674594,0.9437367212665342
EOS-2-04197,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)cc5F)n4)n23)cc1F,QOQHSGIXZBEWTD-UHFFFAOYSA-N,2,1,0.5,59,929,448.408,4.553,5,0.393,0.69,1.0,0.8611215817969982,0.9129257761633884,0.9156243574806388,0.9075371804537044,0.8993022239736824
EOS-2-04198,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)cc1,PNFMILDYCIHUKR-UHFFFAOYSA-N,2,1,0.568,1,676,448.408,4.846,5,0.383,0.82,1.0,0.9654067575902954,0.847328832842163,0.9820865602083476,0.9529504489068604,0.9369431498869166
EOS-2-04199,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)c1,VAOBYGGKWQEPBQ-UHFFFAOYSA-N,2,1,0.646,84,360,448.408,4.287,5,0.386,0.71,1.0,0.9354225207319581,0.9069289287917209,0.9222380234391063,0.9188283873620725,0.9208544650812145
EOS-2-04200,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)ccn2)cc1F,FYFOSDPQWORDDN-UHFFFAOYSA-N,2,1,0.543,59,16,448.408,4.553,5,0.393,0.74,1.0,0.8587314097731479,0.7946165444452059,0.9201391268590227,0.9042560482489206,0.8694357823315743
EOS-2-04201,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)nc1,SPASYXQTYNRTHK-UHFFFAOYSA-N,2,1,0.545,84,884,448.408,4.287,5,0.386,0.7,1.0,0.8911400863546022,0.884800561990268,0.9135168939757384,0.907545747378521,0.8992508224247824
EOS-2-04202,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)cn1,VBCCPKCJJVGENR-UHFFFAOYSA-N,2,1,0.615,1,676,448.408,4.846,5,0.383,0.77,1.0,0.7627218833527517,0.8147231169899253,0.9607035158659447,0.9087451168528545,0.8617234082653691
EOS-2-04203,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)nc2)cc1F,WWKAFVLTYTURKV-UHFFFAOYSA-N,2,1,0.494,88,384,448.408,4.287,5,0.386,0.75,1.0,0.9122832568021383,0.8929819751901857,0.9135254609005551,0.9154615859091221,0.9085630697005003
EOS-2-04204,Fc1cnc(-c2ccncc2)c(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1,QDGZPRZLRDEZAU-UHFFFAOYSA-N,2,1,0.542,97,676,448.408,4.904,5,0.368,0.76,1.0,0.9509800561990268,0.9205760400246727,0.9482729079569597,0.9279264615173737,0.9369388664245082
EOS-2-04205,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cc2F)cn1,WRLQUUVOJAWFQJ-UHFFFAOYSA-N,2,1,0.535,11,111,448.408,4.287,5,0.361,0.7,1.0,0.937410047289425,0.9566770612021109,0.887610513330135,0.8815708313343842,0.9158171132890138
EOS-2-04206,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccccc5OC(F)(F)F)n34)cc2)cn1,QWNWCXINZKPMJZ-UHFFFAOYSA-N,2,1,0.395,96,121,448.408,5.122,5,0.38,0.83,1.0,0.5384911932012885,0.6766585566445069,0.9731940922486464,0.9388921252827085,0.7818089918442876
EOS-2-04207,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccccn5)c4)n23)cc1,ACETYFXZSXVLLQ-UHFFFAOYSA-N,2,1,0.556,1,805,448.408,4.846,5,0.383,0.78,1.0,0.962476869302995,0.8848091289150847,0.9765437598519635,0.9422503598108423,0.9415200294702213
EOS-2-04208,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nc2)nc1,KBHIOZUVKFVVKC-UHFFFAOYSA-N,2,1,0.488,1,676,448.408,5.368,5,0.368,0.78,1.0,0.9206531423480228,0.8715046946747995,0.9791052703721472,0.9397488177643754,0.9277529812898362
EOS-2-04209,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnn5)n34)ccc2F)cc1F,OBDNBYSMRWZJCV-UHFFFAOYSA-N,2,1,0.553,88,80,448.408,4.287,5,0.386,0.76,1.0,0.9631022548146118,0.9712236995408128,0.9027140017819204,0.9122746898773216,0.9373286615036667
EOS-2-04210,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c2)cn1,XXCBDBYGEHEEHS-UHFFFAOYSA-N,2,1,0.548,1,138,448.408,4.904,5,0.368,0.78,1.0,0.9555976286752107,0.9279778630662737,0.957576588307861,0.9355595915290248,0.9441779178945926
EOS-2-04211,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)c(F)c5)c4)n23)cn1,UBQCVJZRNKMTLC-UHFFFAOYSA-N,2,1,0.607,11,429,448.408,4.287,5,0.361,0.72,1.0,0.9611918305804948,0.9425587691042423,0.9165495853608389,0.9065348502501542,0.9317087588239326
EOS-2-04212,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)c1,YNPAFGYSIKWLNV-UHFFFAOYSA-N,2,1,0.523,19,691,448.408,4.287,5,0.386,0.77,1.0,0.8894352683160852,0.8821362483722843,0.869739908162566,0.8969056267562195,0.8845542629017888
EOS-2-04213,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)cn1,BKCSDAZBSGMXBS-UHFFFAOYSA-N,2,1,0.523,11,503,448.408,4.287,5,0.361,0.73,1.0,0.8839010348845179,0.8335446508121445,0.9088736207251045,0.9054639846480708,0.8829458227674594
EOS-2-04214,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)c1F,NIALAMLVFRSHKK-UHFFFAOYSA-N,2,1,0.505,19,442,448.408,4.287,5,0.361,0.67,1.0,0.8762079363991502,0.8848176958399013,0.8581231581111645,0.8553903090946474,0.8686347748612159
EOS-2-04215,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)c(F)c1,MGASMYONKIQGAA-UHFFFAOYSA-N,2,1,0.524,19,691,448.408,4.287,5,0.386,0.75,0.999,0.8996127749982866,0.8685576725378658,0.8359776574600781,0.8604876293605648,0.8661589335891988
EOS-2-04216,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)c1,APTRPACEDIKUMV-UHFFFAOYSA-N,2,1,0.539,11,111,448.408,4.287,5,0.361,0.62,1.0,0.9245767939140566,0.952753409636077,0.9004523336303201,0.89945000342677,0.9193081351518059
EOS-2-04217,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cn2)cn1,SWHHIIQHOYJCOI-UHFFFAOYSA-N,2,1,0.545,84,732,448.408,4.287,5,0.361,0.73,1.0,0.9393890069220753,0.9620999246110616,0.9145277911041053,0.9018316085258036,0.9294620827907615
EOS-2-04218,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cn2)c1,NABPWXVJLWUOQU-UHFFFAOYSA-N,2,1,0.535,84,749,448.408,4.287,5,0.386,0.74,1.0,0.9484442464532932,0.9548351723665273,0.8971626345007196,0.8981992324035364,0.9246603214310192
EOS-2-04219,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c2)cn1,MKRVBPHQIZQCHV-UHFFFAOYSA-N,2,1,0.542,97,91,448.408,4.904,5,0.344,0.68,1.0,0.9598639572339113,0.8998269481187033,0.9692618737577959,0.9510742923720101,0.9450067678706051
EOS-2-04220,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)cn1,AWYJXWOWTQWWEI-UHFFFAOYSA-N,2,1,0.695,84,360,448.408,4.287,5,0.361,0.76,1.0,0.9690134329381125,0.9723973682406963,0.9212699609348228,0.9075543143033377,0.9425587691042424
EOS-2-04221,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)nn1,GWAROJPEMDEMMY-UHFFFAOYSA-N,2,1,0.615,1,528,448.408,5.368,5,0.368,0.76,1.0,0.9411109588102254,0.9045644575423206,0.9791138372969639,0.9470135700089096,0.942950705914605
EOS-2-04222,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)nc1,FKKPFPHVQXBQNX-UHFFFAOYSA-N,2,1,0.731,84,360,448.408,4.287,5,0.386,0.73,1.0,0.9731512576245631,0.9756613665958468,0.9016345692550202,0.8926735658967857,0.9357801898430539
EOS-2-04223,FC(F)(F)c1ccccc1COc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,GRMDPZHBVCPXHL-UHFFFAOYSA-N,2,1,0.549,1,138,448.408,4.846,5,0.383,0.81,1.0,0.9441779178945926,0.8740490713453499,0.9797563566582139,0.9522993626207936,0.9375706771297376
EOS-2-04224,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5F)nc4)n23)cc1F,HUZXZRCSLQOADQ-UHFFFAOYSA-N,2,1,0.679,84,360,448.408,4.287,5,0.361,0.77,1.0,0.9695788499760126,0.9705640463299294,0.9098502501542046,0.8954920841614694,0.936371307655404
EOS-2-04225,Fc1ncccc1-c1ncccc1COc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,BWPHOBWMMYPFHS-UHFFFAOYSA-N,2,1,0.5,1,676,448.408,4.904,5,0.344,0.76,1.0,0.9523764649441436,0.9089164553491879,0.9379840312521417,0.9111438558015215,0.9276052018367487
EOS-2-04226,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)n1,QYGRJEINJYNZAB-UHFFFAOYSA-N,2,1,0.452,11,503,448.408,4.287,5,0.361,0.74,1.0,0.8383763964087451,0.7946251113700226,0.8697484750873826,0.8759080940305668,0.8446645192241793
EOS-2-04227,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)cn4)n23)cc1,PQTPJSVOGWDACB-UHFFFAOYSA-N,2,1,0.6,1,676,448.408,4.846,5,0.383,0.74,1.0,0.8153142348022754,0.8368771845658283,0.9833715989308478,0.9569340689466109,0.8981242718113905
EOS-2-04228,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cc1,IWCKFRJUNRGHMQ-UHFFFAOYSA-N,2,1,0.582,1,988,448.408,4.846,5,0.383,0.73,1.0,0.9605150435199781,0.8715132615996162,0.9883661160989651,0.9707268179014461,0.9477803097800014
EOS-2-04229,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)cc4)n23)c(F)c1,AMXPIDCHZPAKNL-UHFFFAOYSA-N,2,1,0.489,1,22,448.408,4.553,5,0.367,0.69,1.0,0.8996213419231033,0.8901291892262353,0.8853831128778014,0.8570608594338976,0.8830486258652593
EOS-2-04230,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nc4)n23)n1,CESYAOQDPOZEES-UHFFFAOYSA-N,2,1,0.533,11,275,448.408,4.287,5,0.361,0.74,1.0,0.9257675964635734,0.9506545130559935,0.87523130697005,0.8733722842848332,0.9062564251936126
EOS-2-04231,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)cc1F,LGIMSTCPZVJPCE-UHFFFAOYSA-N,2,1,0.446,13,412,448.408,5.426,5,0.357,0.79,1.0,0.8128640943047084,0.8715218285244328,0.9546981015694607,0.9176118840381057,0.8891739771091769
EOS-2-04232,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)nc1,WFCJXJIWAIYGIP-UHFFFAOYSA-N,2,1,0.6,84,692,448.408,4.287,5,0.386,0.71,1.0,0.8309146048934275,0.752218833527517,0.9004609005551367,0.8955006510862861,0.8447737475155918
EOS-2-04233,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cc1F,BVYYVQDKBXWNGV-UHFFFAOYSA-N,2,1,0.481,96,121,448.408,4.964,5,0.378,0.83,1.0,0.6102134877664314,0.8740576382701666,0.9519995202522102,0.9303080666164074,0.8416446782263038
EOS-2-04234,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)c(F)c1,GTYRXPWLUFMTGZ-UHFFFAOYSA-N,2,1,0.468,11,503,448.408,4.287,5,0.361,0.73,1.0,0.7967754094990063,0.8185353985333425,0.8566153793434309,0.8703224590500994,0.8355621616064698
EOS-2-04235,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)n23)cc1,BHVBFISTKDLUPQ-UHFFFAOYSA-N,2,1,0.558,1,676,448.408,4.846,5,0.383,0.75,1.0,0.8498903433623467,0.8504643273250634,0.9741535878281132,0.939757384689192,0.9035664108011787
EOS-2-04236,FC(F)(F)c1ccccc1COc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,QSCIIMALDTXAFR-UHFFFAOYSA-N,2,1,0.57,1,676,448.408,4.846,5,0.383,0.79,1.0,0.9450860119251594,0.8901377561510521,0.9808186553354807,0.9523079295456103,0.9420875882393256
EOS-2-04237,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cn4)n23)ccn1,VKEKEGFEWMTKFV-UHFFFAOYSA-N,2,1,0.517,11,384,448.408,4.287,5,0.361,0.75,1.0,0.9284062093071072,0.9129343430882051,0.9126430676444384,0.9075628812281543,0.9153866253169763
EOS-2-04238,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cn2)nc1,TYGVHBCSLGEDEZ-UHFFFAOYSA-N,2,1,0.72,88,429,448.408,4.287,5,0.386,0.8,1.0,0.9854447947364814,0.9804160098690974,0.8909773147830855,0.8859999314646014,0.9357095127133164
EOS-2-04239,Fc1ccc(-c2nnc3cncc(OCCc4cnc(-c5ccc(F)cn5)c(F)c4)n23)cc1,CPEWRKRCSSFTKT-UHFFFAOYSA-N,2,1,0.654,88,429,448.408,4.287,5,0.386,0.71,1.0,0.9909104927695155,0.9881091083544651,0.855064765951614,0.8685748063874992,0.9256647933657735
EOS-2-04240,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)c1,IPOZKNVLHDYHQN-UHFFFAOYSA-N,2,1,0.565,35,919,448.408,4.287,5,0.361,0.7,1.0,0.9617743814680282,0.9630422863408951,0.9192395997532725,0.9142964841340553,0.9395881879240627
EOS-2-04241,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccnc(F)c5)c4)n23)c1,YFAYGWVYUXYQPQ-UHFFFAOYSA-N,2,1,0.533,11,490,448.408,4.287,5,0.361,0.64,1.0,0.9341803166335412,0.9557946679459941,0.9038448358577205,0.9042646151737372,0.9245211089027483
EOS-2-04242,Cc1cnc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)n1,HMHQGKXCCXMWJX-UHFFFAOYSA-N,2,1,0.575,34,929,448.408,4.553,5,0.393,0.71,1.0,0.9284147762319238,0.9506630799808101,0.8488794462339798,0.8588856144198479,0.8967107292166404
EOS-2-04243,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)cn1,CVHACMQXFIQOHV-UHFFFAOYSA-N,2,1,0.633,88,111,448.408,4.287,5,0.361,0.72,1.0,0.959872524158728,0.9691590706599958,0.922246590363923,0.909970187101638,0.9403120930710712
EOS-2-04244,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cc2)nc1,UKOKLLLXODTWPW-UHFFFAOYSA-N,2,1,0.61,1,138,448.408,4.904,5,0.368,0.79,1.0,0.9758755397162634,0.9260331711328902,0.9465766568432595,0.9208587485436228,0.942336029059009
EOS-2-04245,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)cn1,DJHQMNNKHDKQJW-UHFFFAOYSA-N,2,1,0.5,1,988,448.408,4.904,5,0.344,0.73,1.0,0.889443835240902,0.8929905421150024,0.9533102597491604,0.9249366047563566,0.9151703104653554
EOS-2-04246,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)c(F)c5)cc4)n23)cn1,QBYLEFQOHVWNPX-UHFFFAOYSA-N,2,1,0.593,91,111,448.408,4.287,5,0.361,0.7,1.0,0.9709495579466795,0.9762267836337468,0.9183743403467891,0.9007350421492701,0.9415714310191214
EOS-2-04247,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cn4)n23)cc1,GMAIYMBJFFRMHR-UHFFFAOYSA-N,2,1,0.622,1,676,448.408,4.846,5,0.383,0.77,1.0,0.8563840723733809,0.8536426564320472,0.9756099650469467,0.9406654787197588,0.9065755431430333
EOS-2-04248,Fc1cccnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1,AJWJHMCGTZRGTR-UHFFFAOYSA-N,2,1,0.523,97,676,448.408,4.904,5,0.368,0.72,1.0,0.9612003975053115,0.9186313480912891,0.9526334726886437,0.9336491672949078,0.941528596395038
EOS-2-04249,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nc4)n23)c1,KKAPKFRURQYRBJ-UHFFFAOYSA-N,2,1,0.538,11,490,448.408,4.287,5,0.386,0.74,1.0,0.9245853608388733,0.9495750805290932,0.8886642450825851,0.8912257556027688,0.9135126105133301
EOS-2-04250,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)c1,IZXRECBIVYCDCF-UHFFFAOYSA-N,2,1,0.462,11,503,448.408,4.287,5,0.386,0.76,0.998,0.818081351518059,0.7946336782948393,0.885391679802618,0.8940442738674526,0.8480377458707422
EOS-2-04251,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)cc1,YCTGZFUEAREKCD-UHFFFAOYSA-N,2,1,0.568,1,138,448.408,4.846,5,0.383,0.79,1.0,0.9570711397436776,0.8796689740250839,0.9838085120964979,0.9606349804674115,0.9452959015831678
EOS-2-04252,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4)n23)cc1,KPEANERUGQHSCC-UHFFFAOYSA-N,2,1,0.608,1,138,448.408,4.846,5,0.383,0.81,1.0,0.9731598245493798,0.8954235487629361,0.980013364402714,0.9484185456788431,0.9492538208484683
EOS-2-04253,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,LFTKRGWDALGCJP-UHFFFAOYSA-N,2,1,0.592,1,138,448.408,4.846,5,0.383,0.76,1.0,0.9516568432595436,0.897668083064903,0.9858217394284148,0.9611232951819615,0.9490674902337057
EOS-2-04254,Fc1ccc(-c2cncc(-c3nnc4cncc(OCC(F)(F)c5ccccc5)n34)c2)cn1,NCBVNVIAPQGSLG-UHFFFAOYSA-N,2,1,0.5,1,884,448.408,4.558,5,0.355,0.67,1.0,0.79951682544034,0.8954321156877527,0.9811013638544308,0.9662206154478789,0.9105677301076006
EOS-2-04255,FC(F)(F)c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)c1,GCCZQTLAMIPPIY-UHFFFAOYSA-N,2,1,0.488,1,138,448.408,4.846,5,0.383,0.84,0.999,0.8180899184428757,0.7246676033171133,0.9674628195462956,0.9414793365773422,0.8629249194709067
EOS-2-04256,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cn1,BIESJUOWAPIJCZ-UHFFFAOYSA-N,2,1,0.506,1,676,448.408,4.904,5,0.344,0.74,1.0,0.9598810910835447,0.9186399150161059,0.9470735384826263,0.9240627784250566,0.9374143307518333
EOS-2-04257,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2F)cn1,FKDOKUZCRNQTSR-UHFFFAOYSA-N,2,1,0.722,59,716,448.408,4.553,5,0.393,0.74,1.0,0.9833287643067644,0.9645671989582619,0.9476903570694264,0.9279350284421904,0.9558803371941609
EOS-2-04258,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)n5)c(F)c4)n23)c1,GGJAIJCAOQLXPO-UHFFFAOYSA-N,2,1,0.671,88,222,448.408,4.287,5,0.361,0.76,1.0,0.9740593516551299,0.9742478240010966,0.8992272633815366,0.8898978822561853,0.9343580803234871
EOS-2-04259,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)c1F,OZWGJQXNSFLDTM-UHFFFAOYSA-N,2,1,0.456,97,606,448.408,4.553,5,0.367,0.71,1.0,0.9091820300185045,0.9021400178192036,0.9316102391885409,0.9087536837776712,0.9129214927009801
EOS-2-04260,Fc1cccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)c1,IJDMWRGJNKQMAG-UHFFFAOYSA-N,2,1,0.75,57,590,448.404,5.58,5,0.339,0.79,1.0,0.9921098622438489,0.9878521006099651,0.9811099307792475,0.9791138372969639,0.9850464327325064
EOS-2-04261,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)cc1,PVSQHVHTKCSOSM-UHFFFAOYSA-N,2,1,0.809,57,590,448.404,5.58,5,0.339,0.82,1.0,0.9957336714412994,0.9897282571448153,0.982283599479131,0.9801247344253307,0.9869675656226441
EOS-2-04262,Fc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccc(F)c(F)c5)cc4)n23)cc1,GQOFPXPBQDDMLZ-UHFFFAOYSA-N,2,1,0.722,57,590,448.404,5.58,5,0.339,0.81,1.0,0.9969073401411829,0.9915187444314989,0.9822921664039477,0.9805359468165308,0.98781354944829
EOS-2-04263,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4cc(F)c(C#N)c(F)c4)n23)n(C)n1,JHRLNDABXKACOA-UHFFFAOYSA-N,2,1,0.375,36,292,448.397,2.745,5,0.402,0.59,1.0,0.49494551435816597,0.5286049619628538,0.3370742238366116,0.33810225481461176,0.42468173874306075
EOS-2-04264,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nn4)n23)cc1,IBAIITNHQUBFMN-UHFFFAOYSA-N,2,1,0.654,27,996,448.393,3.219,5,0.37,0.72,1.0,0.7053234870810774,0.7015626070865603,0.7285141525597971,0.6468713590569529,0.6955679014460969
EOS-2-04265,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)nn2)cc1F,XWIHNDUDQXUYRY-UHFFFAOYSA-N,2,1,0.398,54,411,448.393,2.904,5,0.362,0.72,1.0,0.7020166541018436,0.5751833321910766,0.5279967103008704,0.4305822082105407,0.5589447262010828
EOS-2-04266,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnnc5)cn4)n23)cc1,YIYGZEHXMBDFGR-UHFFFAOYSA-N,2,1,0.642,27,996,448.393,3.219,5,0.37,0.72,1.0,0.6503580974573367,0.6963710506476595,0.7461962853813995,0.6552926461517373,0.6870545199095331
EOS-2-04267,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cn2)cc1=O,YLGQZMZVUJYBON-UHFFFAOYSA-N,2,1,0.436,55,600,448.393,2.199,5,0.376,0.68,0.999,0.5436484819409225,0.4121204852306216,0.5413611130148722,0.48029607292166404,0.49435653827702014
EOS-2-04268,COc1nc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1-c1ncc(F)cn1,VPLJSHWDNUNZOQ-UHFFFAOYSA-N,2,1,0.402,46,896,448.393,2.904,5,0.387,0.63,0.83,0.8078181755876911,0.6045164827633472,0.4147076965252553,0.3412548831471455,0.5420743095058598
EOS-2-04269,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5)nn4)n23)cc1,XTQGBQUWTJBEFX-UHFFFAOYSA-N,2,1,0.608,27,996,448.393,3.219,5,0.37,0.74,1.0,0.7855527379891714,0.7822459050099376,0.6183949009663491,0.5780189843053938,0.6910531320677129
EOS-2-04270,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)cc1,NKBLFVCOGNEAGY-UHFFFAOYSA-N,2,1,0.693,7,408,448.393,3.219,5,0.37,0.75,1.0,0.7883541224042218,0.7822544719347543,0.6865876225070249,0.5993249263244466,0.714130285792612
EOS-2-04271,COc1cc(-c2nnc3cncc(OCc4ncc(F)cn4)n23)ccc1-c1ncc(F)cn1,DZKAIIRLWHERHQ-UHFFFAOYSA-N,2,1,0.481,51,196,448.393,2.904,5,0.387,0.64,1.0,0.9192738674525393,0.7650520869028853,0.4260074703584401,0.33490679185799466,0.6113100541429648
EOS-2-04272,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1,VSFCIMWRYIMIQC-UHFFFAOYSA-N,2,1,0.634,27,343,448.393,3.219,5,0.37,0.75,1.0,0.7769858131725036,0.7522274004523336,0.7438575149064491,0.6497669796449866,0.7307094270440683
EOS-2-04273,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)nc1,ITILOEZHGJRNHB-UHFFFAOYSA-N,2,1,0.478,7,535,448.393,3.219,5,0.37,0.74,1.0,0.6811647590980742,0.627989856761017,0.648130697005003,0.5620159687478583,0.6298253204029882
EOS-2-04274,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,PNJQTYGJOPVWNM-UHFFFAOYSA-N,2,1,0.607,27,343,448.393,3.219,5,0.37,0.78,1.0,0.7267407991227469,0.7433863340415324,0.7338256459461312,0.652491261736687,0.7141110102117744
EOS-2-04275,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccn5)c4)n23)nc1,LVAKWXGWRIRPIO-UHFFFAOYSA-N,2,1,0.43,46,346,448.393,3.219,5,0.37,0.65,1.0,0.8544308135151806,0.6718439448975396,0.664793365773422,0.5686467685559592,0.6899287231855252
EOS-2-04276,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)cn1,DMQMQLFQMOSQRX-UHFFFAOYSA-N,2,1,0.444,2,564,448.393,2.904,5,0.387,0.65,1.0,0.8050424919470907,0.6279984236858337,0.5904838599136454,0.462142759235145,0.6214168836954287
EOS-2-04277,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)nn2)cn1,OCXBDDIKKADCFT-UHFFFAOYSA-N,2,1,0.416,54,332,448.393,2.904,5,0.387,0.69,1.0,0.6563206771297375,0.5101689397573846,0.5000599684737167,0.439731683914742,0.5265703173188951
EOS-2-04278,COc1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)cn1,DDHFVOSICXGCIX-UHFFFAOYSA-N,2,1,0.494,73,756,448.393,2.904,5,0.387,0.71,1.0,0.885700089096018,0.8404581591391954,0.47578130354328013,0.3897608114591186,0.6479250908094031
EOS-2-04279,COc1cc(-c2nnc3cncc(OCc4nnccc4F)n23)ncc1-c1ccnc(F)c1,BPFGWDZWVCLOJX-UHFFFAOYSA-N,2,1,0.366,46,160,448.393,2.904,5,0.362,0.6,1.0,0.5489000068535399,0.5331539990405044,0.5482403536426564,0.4743677609485299,0.5261655301213076
EOS-2-04280,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncccn5)n4)n23)cc1,YURRQSZLKCDUDQ-UHFFFAOYSA-N,2,1,0.711,27,996,448.393,3.219,5,0.37,0.75,1.0,0.7684445891302858,0.8335532177369611,0.5380714138852717,0.47142930573641284,0.6528746316222328
EOS-2-04281,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nn4)n23)cc1,GXNKSQHNHDSHKX-UHFFFAOYSA-N,2,1,0.671,27,996,448.393,3.219,5,0.37,0.75,1.0,0.6811733260228908,0.747781166472483,0.6648019326982386,0.5935593859228291,0.6718289527791105
EOS-2-04282,Oc1cccnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,UWZUILGJOWGKIJ-UHFFFAOYSA-N,2,1,0.448,7,69,448.393,3.261,5,0.417,0.55,1.0,0.587322664656295,0.5471009526420396,0.544822150640806,0.43380337194160784,0.5282622849701871
EOS-2-04283,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cn2)ccc1=O,PRCIXMJQUHCOCK-UHFFFAOYSA-N,2,1,0.452,4,469,448.393,2.199,5,0.402,0.58,0.998,0.482746213419231,0.41212905215543827,0.4407597148927421,0.4115379343430882,0.43679322870262494
EOS-2-04284,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nnccc4-c4cncnc4)n23)cc1,LIMCESURBDCGHF-UHFFFAOYSA-N,2,1,0.642,27,996,448.393,3.219,5,0.37,0.69,1.0,0.732874717291481,0.7341083544650813,0.7462048523062161,0.6755020217942568,0.7221724864642589
EOS-2-04285,FC(F)Oc1cc(-c2nnc3cncc(OCc4ccnnc4)n23)ccc1-c1cnccn1,COHGDWZJYYKYFJ-UHFFFAOYSA-N,2,1,0.523,16,540,448.393,3.219,5,0.37,0.65,1.0,0.8948752655746693,0.6766671235693236,0.7855441710643547,0.6816359399629909,0.7596806250428347
EOS-2-04286,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cnncc5F)n34)c(F)c2)cc1=O,ZXPHVIDRUULSQM-UHFFFAOYSA-N,2,1,0.451,16,605,448.393,2.199,5,0.402,0.72,1.0,0.5591117812350079,0.514880748406552,0.6065725447193475,0.5813001165101775,0.5654662977177712
EOS-2-04287,COc1nncnc1COc1cncc2nnc(-c3cccnc3-c3ccc(F)c(F)c3)n12,SUTPSYAXBGBYPG-UHFFFAOYSA-N,2,1,0.457,4,391,448.393,2.904,5,0.387,0.6,0.999,0.6414827633472688,0.5751918991158934,0.39711979987663626,0.39562915495853607,0.5023559043245837
EOS-2-04288,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)cc1,BAYNXRLRXHLPNB-UHFFFAOYSA-N,2,1,0.59,27,996,448.393,3.219,5,0.37,0.74,1.0,0.8498989102871634,0.8147316839147419,0.6838719073401411,0.5993334932492632,0.7369589986978274
EOS-2-04289,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnn5)n4)n23)cc1,MNVKCIFNQIIVQF-UHFFFAOYSA-N,2,1,0.583,72,996,448.393,3.219,5,0.37,0.71,1.0,0.8285587005688438,0.8070814200534576,0.6065811116441642,0.5427660886848057,0.6962468302378177
EOS-2-04290,OCc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)cn1,DTZIGDYTERUOAR-UHFFFAOYSA-N,2,1,0.435,55,564,448.393,2.388,5,0.417,0.59,1.0,0.7386316907682818,0.6422195188815023,0.6154564457542321,0.5457559454458227,0.6355159002124597
EOS-2-04291,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1,FVYYWULZHYIDAN-UHFFFAOYSA-N,2,1,0.653,51,969,448.393,3.219,5,0.37,0.76,1.0,0.8894524021657186,0.8301864162840107,0.7338342128709479,0.6438215338222192,0.7743236412857242
EOS-2-04292,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cn2)cc1=O,LWEVYAHSSLRZFG-UHFFFAOYSA-N,2,1,0.447,55,600,448.393,2.199,5,0.402,0.64,1.0,0.4420104859159756,0.402645466383387,0.5211003358234528,0.4743763278733466,0.46003315399904054
EOS-2-04293,FC(F)c1ncc(Oc2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2)cn1,QUYGUMTVMCEXOT-UHFFFAOYSA-N,2,1,0.535,27,815,448.393,3.68,5,0.368,0.74,1.0,0.8383849633335618,0.7566307998081009,0.5841700363237612,0.43974025083955864,0.6547315125762456
EOS-2-04294,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4cc(F)cc(C#N)c4)n23)c(F)c1,RKDNGUXBHCJGPB-UHFFFAOYSA-N,2,1,0.437,13,252,448.368,3.668,5,0.413,0.65,1.0,0.7386402576930985,0.765060653827702,0.8864625454047015,0.8759166609553835,0.8165200294702214
EOS-2-04295,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)cc1,DZPVVSHQRPJAQR-UHFFFAOYSA-N,2,1,0.644,57,137,448.313,5.739,5,0.343,0.84,1.0,0.8309231718182442,0.8685662394626825,0.9460369405798095,0.9676941265163457,0.9033051195942705
EOS-2-04296,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)cn5)c4)n23)cc1,IFHFZRKZQSTQCX-UHFFFAOYSA-N,2,1,0.667,57,709,448.313,5.739,5,0.343,0.81,1.0,0.9704698101569461,0.9746676033171133,0.9292286340895072,0.9523164964704269,0.9566706360084984
EOS-2-04297,Clc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1,VENPXZIXZYEMPT-UHFFFAOYSA-N,2,1,0.69,57,798,448.313,5.739,5,0.343,0.85,1.0,0.9717034473305463,0.9691676375848125,0.9316188061133576,0.9542783222534439,0.9566920533205401
EOS-2-04298,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)c2)cc1,KBXUQUDVVBSBJO-UHFFFAOYSA-N,2,1,0.632,57,137,448.313,5.739,5,0.343,0.83,1.0,0.7967839764238229,0.8740662051949832,0.942207525186759,0.9662291823726955,0.8948217222945651
EOS-2-04299,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cc1,XUIDIVYAOBLXMD-UHFFFAOYSA-N,2,1,0.58,57,23,448.313,5.739,5,0.321,0.81,1.0,0.6298060448221506,0.8335617846617778,0.9098588170790213,0.9430899184428757,0.8290791412514563
EOS-2-04300,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(Cl)c5)n4)n23)cc1,OJKDCGSWAAEIFO-UHFFFAOYSA-N,2,1,0.58,57,461,448.313,5.739,5,0.343,0.83,1.0,0.8611301487218148,0.9630508532657117,0.8971712014255363,0.9380782674251251,0.914857617709547
EOS-2-04301,Clc1ccc(-c2nnc3cncc(OCc4cccnc4-c4cccc(Cl)c4)n23)cc1,WYYNEWANPOKCFS-UHFFFAOYSA-N,2,1,0.628,57,798,448.313,5.739,5,0.343,0.8,1.0,0.9592385717222945,0.9736395723391131,0.9059951339867042,0.9422589267356589,0.9452830511959427
EOS-2-04302,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cc1,BVBFCKOVYWIHAE-UHFFFAOYSA-N,2,1,0.628,57,23,448.313,5.739,5,0.343,0.75,1.0,0.6474710437941197,0.8263484339661435,0.923197519018573,0.9529590158316771,0.8374940031526283
EOS-2-04303,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1,ODCUDWHXUQQXNN-UHFFFAOYSA-N,2,1,0.704,57,326,448.313,5.739,5,0.321,0.84,1.0,0.9787454595298472,0.9756699335206634,0.947082105407443,0.9623912000548284,0.9659721746281955
EOS-2-04304,Clc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,VRMKAVHLHKDWMO-UHFFFAOYSA-N,2,1,0.59,57,461,448.313,5.739,5,0.343,0.82,1.0,0.8996299088479199,0.9645757658830786,0.9038534027825372,0.9406740456445755,0.9271832807895277
EOS-2-04305,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)nc4)n23)cc1,TZXFQHCATKOWEK-UHFFFAOYSA-N,2,1,0.645,57,798,448.313,5.739,5,0.343,0.86,1.0,0.9586131862106778,0.9668974025083956,0.9266414227948736,0.9523250633952437,0.9511192687272978
EOS-2-04306,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)cn4)n23)cc1,BZOUXSOYHOFBPG-UHFFFAOYSA-N,2,1,0.645,57,461,448.313,5.739,5,0.343,0.85,1.0,0.8634003837982318,0.9630594201905284,0.9257590295387568,0.9537129052155439,0.9264829346857653
EOS-2-04307,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc(Cl)n1,ZBVPUNKLRJEXEA-UHFFFAOYSA-N,2,1,0.603,12,650,448.313,5.739,5,0.321,0.85,1.0,0.9539356452607772,0.8976766499897197,0.9174319786169557,0.9406826125693921,0.9274317216092112
EOS-2-04308,COc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cnc1Cl,CCLSSUSMVNGFEZ-UHFFFAOYSA-N,2,1,0.419,83,558,448.313,5.836,5,0.324,0.85,1.0,0.5562504283462408,0.7387858954149819,0.9401086286066753,0.95040607223631,0.7963877561510521
EOS-2-04309,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)c5)cc4)n23)cc1,OYUOREJVBZZCJE-UHFFFAOYSA-N,2,1,0.694,57,326,448.313,5.739,5,0.321,0.84,1.0,0.9766808306490302,0.9772719484613803,0.9470906723322596,0.9636162703036119,0.9661649304365706
EOS-2-04310,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(Cl)c5)c4)n23)cc1,XMGDLQXRWGUDIW-UHFFFAOYSA-N,2,1,0.64,57,798,448.313,5.739,5,0.343,0.84,1.0,0.9547409361935439,0.9654667260640121,0.9408111164416421,0.9641559865670619,0.9562936913165649
EOS-2-04311,COc1ccc(-c2cccc(Cl)n2)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,JHXUVIRRIIXLBI-UHFFFAOYSA-N,2,1,0.397,83,533,448.313,5.836,5,0.324,0.87,1.0,0.5334281406346378,0.637661914879035,0.9240370776506065,0.9389006922075251,0.7585069563429512
EOS-2-04312,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)cc1,AEQGTROSXCGASI-UHFFFAOYSA-N,2,1,0.635,57,23,448.313,5.739,5,0.343,0.78,1.0,0.8102854499348914,0.9242512507710232,0.9266499897196903,0.9523336303200604,0.9033800801864162
EOS-2-04313,Clc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c1,BSOSTRVWNKDALW-UHFFFAOYSA-N,2,1,0.608,57,962,448.313,5.739,5,0.321,0.8,1.0,0.8358405866630114,0.8566496470426975,0.9387721883352752,0.9586731546843945,0.8974838941813446
EOS-2-04314,Cc1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Oc2ccc(Cl)cc2)n1,OYVZKDIXIOHZDH-UHFFFAOYSA-N,2,1,0.47,83,533,448.313,6.261,5,0.325,0.84,1.0,0.5786443698170105,0.8147402508395586,0.9016431361798369,0.9279435953670071,0.8057428380508533
EOS-2-04315,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(Cl)c5)cc4)n23)cc1,DLFSVGABRWASIE-UHFFFAOYSA-N,2,1,0.694,57,326,448.313,5.739,5,0.343,0.81,1.0,0.9755071619491468,0.9719004866013295,0.9460455075046261,0.964695702830512,0.9645372147214035
EOS-2-04316,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)cc1,SRBNOQWUANTFBK-UHFFFAOYSA-N,2,1,0.625,57,709,448.313,5.739,5,0.343,0.82,1.0,0.8742032759920499,0.8566582139675142,0.9284319100815571,0.951802480981427,0.902773970255637
EOS-2-04317,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)c2)nc1,QHVKIUZZLFJCLS-UHFFFAOYSA-N,2,1,0.6,57,709,448.313,5.739,5,0.343,0.78,1.0,0.8207799328353095,0.8473373997669796,0.9240456445754232,0.94986635597286,0.8855073332876431
EOS-2-04318,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)nc1,IUOCJTXMXCNFIC-UHFFFAOYSA-N,2,1,0.645,57,709,448.313,5.739,5,0.343,0.83,1.0,0.9484528133781098,0.9242598176958399,0.9292372010143239,0.9518110479062436,0.9384402199986293
EOS-2-04319,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cc1,IWWFDYHJWPGBJS-UHFFFAOYSA-N,2,1,0.632,57,962,448.313,5.739,5,0.321,0.83,1.0,0.8721386471112329,0.8715303954492495,0.9373415118908917,0.9569426358714276,0.9094882975807005
EOS-2-04320,Clc1cncc(COc2cncc3nnc(-c4cccc(-c5cccc(Cl)c5)c4)n23)c1,GGQDGGRXKOTNBN-UHFFFAOYSA-N,2,1,0.562,57,962,448.313,5.739,5,0.343,0.75,1.0,0.7595349873209513,0.8031663354122405,0.9323469947227743,0.9581334384209444,0.8632954389692277
EOS-2-04321,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)cc1,IOXHZBCHPZWGFF-UHFFFAOYSA-N,2,1,0.69,57,23,448.313,5.739,5,0.321,0.84,1.0,0.9592471386471112,0.932612569392091,0.9414793365773422,0.9586817216092112,0.9480051915564389
EOS-2-04322,Clc1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(-c5ccccc5)n4)n23)cc1,JRRQZOWDWZCMIL-UHFFFAOYSA-N,2,1,0.57,57,461,448.313,5.739,5,0.343,0.82,1.0,0.8981820985539031,0.9527619765608937,0.8817336029059009,0.9291772325406072,0.9154637276403262
EOS-2-04323,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)c2)cc1,DOZNLKFXOXDJNO-UHFFFAOYSA-N,2,1,0.57,57,560,448.313,5.739,5,0.343,0.88,1.0,0.7595435542457679,0.794642245219656,0.9257675964635734,0.9575680213830443,0.8593803543280104
EOS-2-04324,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5Cl)nc4)n23)cc1,SKNCRYOSBCBANK-UHFFFAOYSA-N,2,1,0.653,57,798,448.313,5.739,5,0.343,0.86,1.0,0.972020423548763,0.9654752929888287,0.92492803783154,0.952342197244877,0.9536914879035022
EOS-2-04325,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cc1,DKKSOLADSYRVCG-UHFFFAOYSA-N,2,1,0.636,57,23,448.313,5.739,5,0.343,0.78,1.0,0.6563292440545542,0.8438592282914125,0.9212785278596395,0.9504146391611267,0.8429704098416831
EOS-2-04326,Cc1cc(-c2nnc3cncc(-c4cccnc4Oc4ccc(Cl)cc4)n23)ccc1Cl,LCMJAAUFRVACAK-UHFFFAOYSA-N,2,1,0.422,96,533,448.313,6.261,5,0.325,0.83,1.0,0.4900795010622987,0.6718525118223563,0.9240542115002399,0.9430984853676924,0.7572711774381468
EOS-2-04327,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccccc5)c(Cl)cn4)n23)cc1,BRFBCYXDSNVDKP-UHFFFAOYSA-N,2,1,0.575,57,461,448.313,5.739,5,0.343,0.75,1.0,0.9076828181755877,0.9605064765951614,0.9135340278253719,0.9470221369337263,0.9321863648824618
EOS-2-04328,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5c(F)cc(F)c(F)c5F)n34)n2)cc1F,FXAZXUDMMYIKGQ-UHFFFAOYSA-N,2,1,0.284,45,990,448.29,3.269,5,0.239,0.54,1.0,0.10848296895346446,0.35981084230004795,0.9284404770063738,0.9542868891782605,0.5877552943595367
EOS-2-04329,Brc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cc1,DLDUJGJXRDMKOD-UHFFFAOYSA-N,2,1,0.595,4,32,448.284,3.714,5,0.408,0.71,1.0,0.44912960043862654,0.5702145157974093,0.534687478582688,0.5159173463093688,0.5174872352820231
EOS-2-04330,Brc1cccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)c1,XHGWLHAINZDQHB-UHFFFAOYSA-N,2,1,0.633,4,547,448.284,3.714,5,0.408,0.7,1.0,0.2750753889383867,0.43486567061887466,0.5106743883215681,0.49564800219313276,0.4290658625179905
EOS-2-04331,Brc1ccc(-c2nnc3cncc(OCc4coc(-c5ccccc5)n4)n23)cc1,KGMLERULLJXVJY-UHFFFAOYSA-N,2,1,0.582,1,461,448.28,4.788,5,0.385,0.81,1.0,0.8078267425125077,0.8225018847234596,0.6003443903776301,0.6054331437187307,0.7090265403330821
EOS-2-04332,Brc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccoc5)n34)c2)cc1,CIQZCMFVTUJSRJ-UHFFFAOYSA-N,2,1,0.506,97,560,448.28,4.788,5,0.385,0.76,1.0,0.6047220889589473,0.5194640531834692,0.7556370365293674,0.7521417312041669,0.6579912274689876
EOS-2-04333,Brc1cncc(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c1,IYQKUTFSGHBLBH-UHFFFAOYSA-N,2,1,0.55,97,409,448.28,4.788,5,0.385,0.74,1.0,0.8819563429511342,0.7063343842094442,0.7600233020355014,0.7339969844424645,0.7705777534096361
EOS-2-04334,Brc1ccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)cc4)n23)cc1,DVZKCJLUGWDVLN-UHFFFAOYSA-N,2,1,0.714,1,951,448.28,4.788,5,0.385,0.76,1.0,0.9467308614899596,0.8715389623740663,0.8005534233431567,0.7771228839695703,0.8489865327941882
EOS-2-04335,Cn1ncnc1-c1cnc(-c2cncc3nnc(-c4cc(Cl)ccc4C#N)n23)cc1Cl,FXDWDSGDHXPKSM-UHFFFAOYSA-N,2,1,0.321,22,844,448.277,3.827,5,0.413,0.64,0.988,0.16029573024467136,0.3259714892742101,0.6328473031320677,0.7651463230758687,0.47106521143170443
EOS-2-04336,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(Br)cc5)n34)cn2)cn1,XZVJBNOZNNABEK-UHFFFAOYSA-N,2,1,0.47,96,478,448.259,4.212,5,0.385,0.83,1.0,0.3814251936125009,0.570223082722226,0.7208553217736962,0.7624734425330684,0.6087442601603729
EOS-2-04337,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1,YLMLDQXQXBQPRL-UHFFFAOYSA-N,2,1,0.8,90,305,448.227,4.129,4,0.442,0.82,1.0,0.9029624426016037,0.9205846069494894,0.9240627784250566,0.8912343225275855,0.9097110376259337
EOS-2-04338,Oc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)cn2)ccc1Cl,MGHSEFIBKOSTPY-UHFFFAOYSA-N,2,1,0.561,13,236,451.82,5.283,5,0.4,0.8,1.0,0.9441864848194093,0.9109125488314714,0.9667603317113289,0.9707353848262628,0.9481486875471181
EOS-2-04339,Oc1cc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)ccc1-c1cncc(Cl)c1,HLHWEZXOXIJIKB-UHFFFAOYSA-N,2,1,0.488,13,15,451.82,5.283,5,0.4,0.69,1.0,0.9137139332465218,0.9021485847440203,0.9627510108971283,0.9686964567198958,0.9368274964018916
EOS-2-04340,Oc1ccc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)cc(F)c5F)n34)cn2)cc1,VSJNCGNJBDXPHS-UHFFFAOYSA-N,2,1,0.422,13,236,451.82,5.283,5,0.374,0.65,1.0,0.869894112809266,0.9045730244671373,0.9586731546843945,0.957576588307861,0.9226792200671646
EOS-2-04341,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cc1F,ZQQPMDJUFDTUSP-UHFFFAOYSA-N,2,1,0.476,73,756,451.824,4.154,5,0.396,0.71,1.0,0.8742118429168666,0.89983551504352,0.8042629017887739,0.8372626961825783,0.8538932389829347
EOS-2-04342,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)n1,MSYABNZKNUHEEV-UHFFFAOYSA-N,2,1,0.56,73,71,451.824,4.154,5,0.396,0.63,1.0,0.8383935302583785,0.8976852169145364,0.8439962990884792,0.8588941813446646,0.8597423069015147
EOS-2-04343,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cn2)cn1,PNQOIYDHJXEGAU-UHFFFAOYSA-N,2,1,0.506,59,910,451.824,4.154,5,0.396,0.68,1.0,0.8996384757727366,0.9205931738743061,0.8626893290384483,0.8685833733123158,0.8878760879994517
EOS-2-04344,Fc1cccc(F)c1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)nn4)c3)n12,LUBXFJUXXTTXLV-UHFFFAOYSA-N,2,1,0.46,59,332,451.824,4.154,5,0.396,0.71,1.0,0.7911298060448222,0.7908128298266054,0.8655164142279488,0.8844493180727846,0.8329770920430403
EOS-2-04345,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)c(F)n4)n23)c1,SOIIYBUGIZUZRR-UHFFFAOYSA-N,2,1,0.418,46,959,451.824,4.154,5,0.371,0.68,1.0,0.8911486532794188,0.7988571722294565,0.8506013981221301,0.8637601946405319,0.8510918545678843
EOS-2-04346,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)cc1,ATBAIAAEZORZBS-UHFFFAOYSA-N,2,1,0.477,59,801,451.824,4.154,5,0.371,0.76,1.0,0.8234528133781098,0.892999109039819,0.7533925022274005,0.804391405661024,0.8185589575765884
EOS-2-04347,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)nc1,KIGMRXLDBNSAPM-UHFFFAOYSA-N,2,1,0.506,2,491,451.824,4.154,5,0.396,0.76,1.0,0.8180984853676924,0.85047289424988,0.8455469124802961,0.8669642245219656,0.8452706291549585
EOS-2-04348,Fc1cccc(F)c1-c1ncc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,MLLMPOBKYCUUES-UHFFFAOYSA-N,2,1,0.506,73,877,451.824,4.154,5,0.396,0.69,1.0,0.9151960112398053,0.8504814611746967,0.8126156534850251,0.8521862792132137,0.8576198512781851
EOS-2-04349,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)cc1F,OFQGRGSUAWVXJU-UHFFFAOYSA-N,2,1,0.536,73,469,451.824,4.154,5,0.396,0.61,1.0,0.815322801727092,0.8796775409499006,0.8829329723802344,0.8886385443081352,0.8666429648413406
EOS-2-04350,Fc1cc(COc2cncc3nnc(-c4cnnc(-c5cnccc5F)c4)n23)ccc1Cl,BRVUCSQWUIFRSI-UHFFFAOYSA-N,2,1,0.612,59,294,451.824,4.154,5,0.396,0.64,1.0,0.8544393804399972,0.8685748063874992,0.9079997943938044,0.9219981495442396,0.8882530326913851
EOS-2-04351,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)nc1,LIRTWMWDPSVBCF-UHFFFAOYSA-N,2,1,0.506,59,756,451.824,4.154,5,0.396,0.77,1.0,0.9563001165101775,0.9729370845041464,0.7788020012336372,0.8213025152491261,0.8823354293742718
EOS-2-04352,Fc1cc(COc2cncc3nnc(-c4cnc(-c5ccncn5)cc4F)n23)ccc1Cl,LSYDMLGNYPUPFJ-UHFFFAOYSA-N,2,1,0.62,59,294,451.824,4.154,5,0.396,0.71,1.0,0.9232574874922898,0.887507710232335,0.8864711123295183,0.8940528407922692,0.8978222877116031
EOS-2-04353,Fc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)c(F)cn4)n23)ccc1Cl,VSLGRLSOFNBERK-UHFFFAOYSA-N,2,1,0.535,73,817,451.824,4.154,5,0.396,0.64,1.0,0.8911572202042355,0.9566856281269276,0.9098673840038379,0.9131656500582551,0.917718970598314
EOS-2-04354,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)cc1Cl,SAIXBCWLEBRHHG-UHFFFAOYSA-N,2,1,0.573,59,294,451.824,4.154,5,0.371,0.72,1.0,0.9122918237269549,0.8504900280995134,0.897179768350353,0.9018401754506202,0.8904504489068604
EOS-2-04355,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nc1F,XNMLGOMBLGCEHH-UHFFFAOYSA-N,2,1,0.536,34,929,451.824,4.154,5,0.371,0.8,1.0,0.8800973202659174,0.9645843328078952,0.7959272839421562,0.8333047769172778,0.8684784284833116
EOS-2-04356,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2F)cnn1,FAXARYMTNKASAU-UHFFFAOYSA-N,2,1,0.523,16,89,451.824,4.154,5,0.396,0.64,1.0,0.9217925433486396,0.9224093619354397,0.9027225687067371,0.9131742169830718,0.915024672743472
EOS-2-04357,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)ncc1-c1cncnc1,PWGFKIGEEUBZKX-UHFFFAOYSA-N,2,1,0.529,73,817,451.824,4.154,5,0.396,0.62,1.0,0.8358491535878281,0.942567336029059,0.8957919265300528,0.9065434171749709,0.8951879583304776
EOS-2-04358,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)nn1,WQIVVKZNZFBMFW-UHFFFAOYSA-N,2,1,0.62,59,294,451.824,4.154,5,0.396,0.64,1.0,0.8563926392981975,0.862877801384415,0.8909858817079022,0.898207799328353,0.877116030429717
EOS-2-04359,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)cn5)cc4)n23)cn1,NJMCWFXAFZKOIB-UHFFFAOYSA-N,2,1,0.366,96,478,451.824,4.565,5,0.386,0.79,1.0,0.567670139126859,0.7292766088684806,0.9027311356315537,0.8940614077170859,0.7734348228359949
EOS-2-04360,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c2)cc1F,XEKZPABKJNEPFJ-UHFFFAOYSA-N,2,1,0.409,46,153,451.824,4.154,5,0.396,0.7,1.0,0.632633130011651,0.7156037968610788,0.8342471386471112,0.8637687615653485,0.7615632067712973
EOS-2-04361,Fc1cc(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)nn2)ccn1,CLCPGCYYBAFSIK-UHFFFAOYSA-N,2,1,0.488,34,671,451.824,4.154,5,0.371,0.63,0.996,0.6326416969364677,0.7822630388595709,0.8005619902679734,0.8412463162223288,0.7641782605715852
EOS-2-04362,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c(F)cn1,QYZBMIXGOHJVAV-UHFFFAOYSA-N,2,1,0.529,34,799,451.824,4.154,5,0.371,0.72,1.0,0.9257761633883901,0.9605150435199781,0.8309317387430608,0.8637773284901652,0.8952500685353985
EOS-2-04363,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)nc1,MLRQNVUHVVVATJ-UHFFFAOYSA-N,2,1,0.556,34,210,451.824,4.154,5,0.396,0.71,1.0,0.967043040230279,0.977743129326297,0.6865961894318415,0.772385374545953,0.8509419333835926
EOS-2-04364,Fc1cncc(F)c1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,LNPMRKRRZXYWSN-UHFFFAOYSA-N,2,1,0.488,2,980,451.824,4.154,5,0.396,0.71,1.0,0.8965029812898362,0.897693783839353,0.8626978959632651,0.8759252278802001,0.8832049722431636
EOS-2-04365,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)c(F)c4)n23)c1,AZCLBWJWIUCECZ-UHFFFAOYSA-N,2,1,0.593,73,716,451.824,4.154,5,0.371,0.65,1.0,0.8475430059625797,0.8998440819683367,0.8738434651497499,0.8774158727983004,0.8746616064697417
EOS-2-04366,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)c(F)cn1,QXJTXZOKQQCXQP-UHFFFAOYSA-N,2,1,0.456,55,89,451.824,4.154,5,0.371,0.71,1.0,0.8819649098759509,0.884826262764718,0.8738520320745665,0.8802515249126174,0.8802236824069631
EOS-2-04367,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)cc1Cl,MVEIPSCSLQPSBJ-UHFFFAOYSA-N,2,1,0.536,73,817,451.824,4.154,5,0.396,0.59,1.0,0.8429511342608458,0.8685833733123158,0.9098759509286547,0.9131827839078884,0.8836483106024261
EOS-2-04368,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3cncc(-c4ccnnc4)c3)n12,DDMFGCUUXZKZRW-UHFFFAOYSA-N,2,1,0.482,2,884,451.824,4.154,5,0.371,0.7,1.0,0.7386488246179151,0.8108337331231581,0.9249366047563566,0.9260845726817901,0.850125933794805
EOS-2-04369,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1F,MZYWZTHAEAFKBR-UHFFFAOYSA-N,2,1,0.561,73,401,451.824,4.154,5,0.396,0.7,1.0,0.8929905421150024,0.9537557398396271,0.8235127818518264,0.8589027482694812,0.8822904530189842
EOS-2-04370,Fc1cc(-c2nnc3cncc(OCc4ncccc4F)n23)ccc1-c1cnc(Cl)nc1,ZDRPBCPBVREWGC-UHFFFAOYSA-N,2,1,0.561,73,716,451.824,4.154,5,0.371,0.71,1.0,0.8876019464053183,0.8901463230758687,0.8506099650469467,0.8589113151942979,0.8718173874306079
EOS-2-04371,Fc1ccc(-c2ncnnc2COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,SLKHGBGFYZSZDN-UHFFFAOYSA-N,2,1,0.529,34,146,451.824,4.154,5,0.396,0.76,1.0,0.8839096018093345,0.9413336988554588,0.7855527379891714,0.8653450757316153,0.8690352785963951
EOS-2-04372,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5Cl)n34)ncn2)c1,WEADPNJOQZVPQK-UHFFFAOYSA-N,2,1,0.419,44,488,451.824,4.154,5,0.396,0.75,0.783,0.7299448290041807,0.7341169213898979,0.8752398738948667,0.8994585703515866,0.8096900486601329
EOS-2-04373,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)cn1,BQFODEWEWCTVKS-UHFFFAOYSA-N,2,1,0.461,2,419,451.824,4.154,5,0.371,0.69,1.0,0.6659241998492221,0.7908213967514222,0.8566239462682476,0.8703310259749161,0.795925142210952
EOS-2-04374,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)c5)nn4)n23)cc1F,HEFXSUFPXKAHIU-UHFFFAOYSA-N,2,1,0.58,34,929,451.824,4.154,5,0.396,0.73,1.0,0.8181070522925091,0.9516397094099103,0.7916523884586388,0.8570694263587143,0.8546171441299432
EOS-2-04375,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)c1,DHTBNQWXCQTYBC-UHFFFAOYSA-N,2,1,0.548,44,488,451.824,4.154,5,0.396,0.77,0.803,0.8544479473648139,0.7693955177849359,0.8864796792543349,0.9018487423754369,0.8530429716948804
EOS-2-04376,Fc1cc(COc2cncc3nnc(-c4nccnc4-c4ccc(Cl)c(F)c4)n23)ccn1,RYYVYZWZGRKASK-UHFFFAOYSA-N,2,1,0.466,59,153,451.824,4.154,5,0.371,0.67,1.0,0.8451442670139127,0.777902474127887,0.8179871153450757,0.8521948461380303,0.8233071756562264
EOS-2-04377,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ncn2)cn1,MTKIISUHFUPONJ-UHFFFAOYSA-N,2,1,0.435,44,488,451.824,4.154,5,0.371,0.65,0.978,0.779735796038654,0.7865208004934549,0.8790178877390172,0.8912428894524022,0.834129343430882
EOS-2-04378,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)nn1,QNKANVGXMDFFQX-UHFFFAOYSA-N,2,1,0.472,59,910,451.824,4.154,5,0.396,0.65,1.0,0.7769943800973202,0.8108423000479748,0.8840209718319512,0.8940699746419025,0.8414819066547872
EOS-2-04379,COc1ncc(-c2cc(-c3cncc4nnc(-c5cc(F)c(Cl)cc5F)n34)ccn2)cn1,YLELTJMQQZPZJI-UHFFFAOYSA-N,2,1,0.309,73,575,451.824,4.251,5,0.377,0.7,1.0,0.5489085737783566,0.6815417037900076,0.8506185319717634,0.8333133438420944,0.7285955383455555
EOS-2-04380,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)nc1,UYNOAZWWKAPEMO-UHFFFAOYSA-N,2,1,0.541,73,665,451.824,4.154,5,0.396,0.73,1.0,0.9384123774929751,0.957525186758961,0.789536358028922,0.8193064217668425,0.8761950860119252
EOS-2-04381,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)ncn2)cn1,RQJLMJYVTIFVGT-UHFFFAOYSA-N,2,1,0.435,44,488,451.824,4.154,5,0.371,0.69,0.991,0.7883626893290384,0.7988657391542732,0.877681447467617,0.8926821328216024,0.8393980021931328
EOS-2-04382,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)cnc1F,SVPWFXUFVIAFBS-UHFFFAOYSA-N,2,1,0.466,55,565,451.824,4.154,5,0.371,0.67,0.999,0.880105887190734,0.9129429100130217,0.8817421698307175,0.8746915907066,0.8873706394352683
EOS-2-04383,Fc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccc(Cl)cc5)n4)n23)cc1F,ZJNWZVQGGCGTPC-UHFFFAOYSA-N,2,1,0.597,34,929,451.824,4.154,5,0.396,0.73,1.0,0.947570420121993,0.9669059694332123,0.8217137276403262,0.8747001576314166,0.9027225687067371
EOS-2-04384,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)nc1,YJLMWCUWTDOEPE-UHFFFAOYSA-N,2,1,0.444,59,379,451.824,4.154,5,0.371,0.73,1.0,0.8285672674936605,0.8070899869782743,0.7385974230690151,0.7841820300185045,0.7896091768898637
EOS-2-04385,Fc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nc1,LUJQWBDSWIUSAC-UHFFFAOYSA-N,2,1,0.556,73,665,451.824,4.154,5,0.396,0.74,1.0,0.9411195257350421,0.9698187238708793,0.7051521485847441,0.777131450894387,0.8483054622712631
EOS-2-04386,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)nn2)cc1,JRRFJWGYOJDDSR-UHFFFAOYSA-N,2,1,0.494,54,691,451.824,4.154,5,0.371,0.8,0.918,0.84990747721198,0.8031749023370571,0.8326194229319444,0.8669727914467823,0.838168648481941
EOS-2-04387,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cnn2)c(F)c1,RHQCYARYLZHACM-UHFFFAOYSA-N,2,1,0.5,34,146,451.824,4.154,5,0.371,0.68,1.0,0.8181156192173258,0.8848348296895346,0.8886728120074018,0.907571448152971,0.8747986772668084
EOS-2-04388,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)nc1,HSLISQQGDXQVQG-UHFFFAOYSA-N,2,1,0.68,73,665,451.824,4.154,5,0.396,0.69,1.0,0.9516654101843602,0.8998526488931533,0.8342557055719279,0.8503443903776301,0.8840295387567678
EOS-2-04389,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cnc1F,HZTMMTRONXWCIO-UHFFFAOYSA-N,2,1,0.457,46,157,451.824,4.154,5,0.371,0.77,1.0,0.5731958056336097,0.6376704818038517,0.8309403056678775,0.8412548831471455,0.720765369063121
EOS-2-04390,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)ccn2)cc1F,MLBNVZGQQXZTMW-UHFFFAOYSA-N,2,1,0.483,73,401,451.824,4.154,5,0.396,0.69,1.0,0.7967925433486396,0.8473459666917963,0.8455554794051128,0.866981358371599,0.8391688369542869
EOS-2-04391,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4cccnc4F)nn3)n12,HSEPKPJHADGLPI-UHFFFAOYSA-N,2,1,0.444,54,691,451.824,4.154,5,0.371,0.74,0.997,0.8050510588719073,0.8070985539030909,0.832627989856761,0.8669899252964156,0.8279418819820438
EOS-2-04392,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)n1,DXLXCRXJMAOEDQ-UHFFFAOYSA-N,2,1,0.389,46,157,451.824,4.154,5,0.371,0.74,1.0,0.6214618600507162,0.7201785347131794,0.8126242204098417,0.835283736549928,0.7473870879309163
EOS-2-04393,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)cc1F,ZYSBYGWZDCFOAA-UHFFFAOYSA-N,2,1,0.5,73,401,451.824,4.154,5,0.396,0.65,1.0,0.810294016859708,0.847354533616613,0.8550733328764307,0.8685919402371325,0.8453284558974711
EOS-2-04394,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)n4)n23)c(F)c1,ZNBUBBSPRWPRTB-UHFFFAOYSA-N,2,1,0.517,34,268,451.824,4.154,5,0.396,0.62,1.0,0.7770029470221369,0.9129514769378384,0.7672880542800357,0.8108680008224248,0.817027619765609
EOS-2-04395,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1F,FEELCGLUFOFILF-UHFFFAOYSA-N,2,1,0.418,46,692,451.824,4.154,5,0.371,0.65,1.0,0.7418185868000823,0.6766756904941402,0.8697570420121993,0.8747087245562333,0.7907400109656638
EOS-2-04396,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)cc1F,XHNGCYTVXVLAHX-UHFFFAOYSA-N,2,1,0.43,46,157,451.824,4.154,5,0.371,0.65,1.0,0.5845212802412446,0.6815502707148242,0.8627064628880817,0.8718216708930162,0.7501499211842917
EOS-2-04397,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cn5)c4)n23)c(F)c1,CSUFZOLSJLCQEP-UHFFFAOYSA-N,2,1,0.523,73,665,451.824,4.154,5,0.396,0.73,1.0,0.9297683503529574,0.9309248852032075,0.8252175998903434,0.8486224384894798,0.8836333184839971
EOS-2-04398,Fc1ccnc(-c2cncc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)n2)c1,AXMIMZHTIWKLRL-UHFFFAOYSA-N,2,1,0.483,73,877,451.824,4.154,5,0.396,0.68,1.0,0.6596703447330546,0.7650692207525187,0.762404907134535,0.827136591049277,0.7535702659173463
EOS-2-04399,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ncn2)cn1,OJZVEBOEWJGPDO-UHFFFAOYSA-N,2,1,0.566,44,488,451.824,4.154,5,0.371,0.66,0.999,0.9029710095264204,0.8368857514906449,0.8886813789322184,0.8955092180111027,0.8810118394900966
EOS-2-04400,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nc2F)cn1,PGINPMKMAKDHSZ-UHFFFAOYSA-N,2,1,0.448,46,959,451.824,4.154,5,0.371,0.68,1.0,0.8762165033239668,0.7988743060790898,0.8550818998012474,0.857077993283531,0.8468126756219587
EOS-2-04401,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)cn2)cc1F,KPTXPWNMHWMHLD-UHFFFAOYSA-N,2,1,0.512,59,89,451.824,4.154,5,0.371,0.71,1.0,0.9284233431567405,0.9224179288602563,0.8725070248783496,0.8733808512096498,0.8991822870262491
EOS-2-04402,Fc1cnc(F)c(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)c1,LWQSQLWNXRALFQ-UHFFFAOYSA-N,2,1,0.471,55,89,451.824,4.154,5,0.371,0.68,1.0,0.894883832499486,0.8875162771571516,0.8566325131930642,0.865353642656432,0.8760965663765334
EOS-2-04403,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)nn1,SZCASILRQXIHPH-UHFFFAOYSA-N,2,1,0.529,34,268,451.824,4.154,5,0.396,0.66,1.0,0.8475515728873964,0.9527705434857103,0.8042714687135906,0.8292097868549105,0.858450842985402
EOS-2-04404,Fc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5ccnnc5)c4)n23)cc1Cl,RUPQXSHFASWYSI-UHFFFAOYSA-N,2,1,0.518,34,469,451.824,4.154,5,0.396,0.69,1.0,0.7827170858748543,0.8875248440819683,0.912651634569255,0.919745048317456,0.8756596532108835
EOS-2-04405,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)ccn1,SVKMJFCJSPTUOA-UHFFFAOYSA-N,2,1,0.465,73,196,451.824,4.154,5,0.371,0.7,1.0,0.8499160441367967,0.9109211157562881,0.814526077719142,0.8431139058323625,0.8546192858611472
EOS-2-04406,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)c(Cl)cn4)n23)c(F)c1,DEYIXKCTWGBWFR-UHFFFAOYSA-N,2,1,0.517,34,10,451.824,4.154,5,0.396,0.68,1.0,0.7448427112603659,0.8901548900006854,0.8506270988965801,0.8787523130697005,0.841094253306833
EOS-2-04407,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)c2)cn1,GQFCNANKQKAEBU-UHFFFAOYSA-N,2,1,0.477,2,419,451.824,4.154,5,0.371,0.66,1.0,0.6659327667740388,0.7946508121444726,0.8909944486327188,0.8940785415667192,0.8114141422794874
EOS-2-04408,Fc1cnc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)nc1-c1cccnc1,QTJOELOKIKSFDH-UHFFFAOYSA-N,2,1,0.455,73,877,451.824,4.154,5,0.396,0.67,1.0,0.7684531560551024,0.8566667808923308,0.6921903913371257,0.7675279281749023,0.7712095641148653
EOS-2-04409,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)cn1,SJXBRFYRLUSVQZ-UHFFFAOYSA-N,2,1,0.561,34,210,451.824,4.154,5,0.371,0.77,1.0,0.9556061956000275,0.97516448495648,0.7462134192310328,0.802275375231307,0.8698148687547118
EOS-2-04410,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc(F)c1Cl,AZGNIILVPDWEIJ-UHFFFAOYSA-N,2,1,0.566,59,817,451.824,4.154,5,0.371,0.61,1.0,0.7740387910355698,0.9045815913919539,0.8803800287848674,0.877424439723117,0.8591062127338771
EOS-2-04411,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)cc1F,RJKAHOZYNFSFJL-UHFFFAOYSA-N,2,1,0.566,44,488,451.824,4.154,5,0.371,0.71,0.999,0.9045301898430539,0.8536512233568638,0.8886899458570352,0.8955177849359194,0.8855972859982181
EOS-2-04412,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2)c(F)cn1,CDDYMAUUTIUVHX-UHFFFAOYSA-N,2,1,0.483,97,19,451.824,4.154,5,0.371,0.68,1.0,0.8611387156466315,0.8930076759646357,0.8597166061270646,0.8637858954149819,0.8694122232883283
EOS-2-04413,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cc2Cl)c(F)n1,WXIVTIPDLLRIHA-UHFFFAOYSA-N,2,1,0.523,72,208,451.824,4.154,5,0.371,0.7,1.0,0.8103025837845247,0.8848433966143513,0.855090466726064,0.8637944623397985,0.8535077273661846
EOS-2-04414,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)c1,CMVNPNUOKINTSZ-UHFFFAOYSA-N,2,1,0.5,73,716,451.824,4.154,5,0.396,0.7,1.0,0.927044068261257,0.89986121581797,0.8179956822698924,0.8537540264546638,0.8746637482009457
EOS-2-04415,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(Cl)c5)nc4)n23)c1,DKEUQXOILKLPEM-UHFFFAOYSA-N,2,1,0.461,55,89,451.824,4.154,5,0.371,0.63,0.996,0.887610513330135,0.8930162428894524,0.8752484408196833,0.8759337948050168,0.8829522479610719
EOS-2-04416,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2)cnc1F,KOSZYPCXERTWJU-UHFFFAOYSA-N,2,1,0.418,46,959,451.824,4.154,5,0.371,0.73,1.0,0.847560139812213,0.7988828730039065,0.8738605989993832,0.8787608799945171,0.8497661229525049
EOS-2-04417,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)nn4)n23)c1,QMMQCAUCYAJDAB-UHFFFAOYSA-N,2,1,0.477,54,691,451.824,4.154,5,0.396,0.77,0.999,0.8358577205126447,0.8031834692618738,0.8550990336508807,0.8860084983894181,0.8450371804537044
EOS-2-04418,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)ncn2)cn1,FDLUUZUFIWGNHM-UHFFFAOYSA-N,2,1,0.43,44,488,451.824,4.154,5,0.371,0.63,0.839,0.8309317387430608,0.7946593790692893,0.8817507367555343,0.889906449181002,0.8493120759372216
EOS-2-04419,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2F)cn1,VQWNCJYQTQFRQV-UHFFFAOYSA-N,2,1,0.483,97,401,451.824,4.154,5,0.371,0.66,1.0,0.8207884997601261,0.8770046604071002,0.8551076005756973,0.8718302378178329,0.8561827496401893
EOS-2-04420,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)cn1,AAWMVRKETQEJBV-UHFFFAOYSA-N,2,1,0.506,73,716,451.824,4.154,5,0.371,0.68,1.0,0.9192824343773559,0.9089250222740045,0.8235213487766432,0.8486310054142965,0.8750899527105751
EOS-2-04421,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)n2)nc1,MXLGGSLNSDQVOS-UHFFFAOYSA-N,2,1,0.517,73,401,451.824,4.154,5,0.396,0.75,1.0,0.8234613803029265,0.922426495785073,0.8235299157014598,0.8553988760194641,0.8562041669522309
EOS-2-04422,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1-c1cncnc1,ITCITDALPRDVIH-UHFFFAOYSA-N,2,1,0.529,73,817,451.824,4.154,5,0.396,0.64,1.0,0.8181241861421424,0.9413422657802755,0.892279487355219,0.9042731820985539,0.8890047803440477
EOS-2-04423,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)ccn1,YVQIAKWNMXBJHJ-UHFFFAOYSA-N,2,1,0.536,59,756,451.824,4.154,5,0.371,0.72,1.0,0.9467394284147762,0.972945651428963,0.8597251730518813,0.8718388047426496,0.9128122644095675
EOS-2-04424,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cc1F,SWGTUEXKGGRFMW-UHFFFAOYSA-N,2,1,0.429,59,153,451.824,4.154,5,0.396,0.7,1.0,0.6503666643821534,0.7156123637858954,0.8291926530052772,0.8638030292646152,0.7647436776094853
EOS-2-04425,FC(F)Oc1cc(Cl)ccc1-c1nnc2cncc(-c3ccnc(-c4ccncc4)n3)n12,FFJMZWVCZVMYIE-UHFFFAOYSA-N,2,1,0.383,96,121,451.824,4.565,5,0.386,0.71,1.0,0.607489205674731,0.7865293674182715,0.8790264546638339,0.8815793982592008,0.7886561065040092
EOS-2-04426,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)cn1,PMPIMMWKXRCWAV-UHFFFAOYSA-N,2,1,0.542,73,969,451.824,4.154,5,0.371,0.76,1.0,0.8634089507230485,0.9595726817901447,0.8359862243848948,0.8589198821191145,0.8794719347543006
EOS-2-04427,Fc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cccnc5)n4)n23)cnc1Cl,IAGFEARORIQCHI-UHFFFAOYSA-N,2,1,0.419,46,89,451.824,4.154,5,0.371,0.68,1.0,0.8587399766979645,0.7865379343430882,0.8106109930779247,0.8292183537797272,0.8212768144746762
EOS-2-04428,Fc1ccc(F)c(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nn2)c1,YVWZYPNGQUULKF-UHFFFAOYSA-N,2,1,0.443,54,691,451.824,4.154,5,0.396,0.73,0.999,0.7711945719964362,0.7292851757932972,0.837579672400795,0.8815879651840175,0.8049118463436364
EOS-2-04429,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2F)cn1,TYXINCJJKORFGK-UHFFFAOYSA-N,2,1,0.488,97,210,451.824,4.154,5,0.293,0.71,1.0,0.9060379686107874,0.9089335891988212,0.82522616681516,0.8486395723391131,0.8722093242409705
EOS-2-04430,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)ccn1,GAVYOOMKGHRBCS-UHFFFAOYSA-N,2,1,0.483,97,183,451.824,4.154,5,0.371,0.59,1.0,0.8544565142896305,0.8071071208279076,0.882941539305051,0.8759423617298334,0.8551118840381057
EOS-2-04431,Fc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)nc2)c1,DMUHQRGUBSYYLR-UHFFFAOYSA-N,2,1,0.573,59,294,451.824,4.154,5,0.396,0.53,1.0,0.8699026797340826,0.8368943184154616,0.8764735110684668,0.892690699746419,0.8689903022411075
EOS-2-04432,Fc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c2)cn1,MHRDNLCOCDYRGQ-UHFFFAOYSA-N,2,1,0.433,46,160,451.824,4.154,5,0.371,0.73,1.0,0.7418271537248989,0.7433949009663491,0.8829501062298677,0.8860170653142349,0.8135473065588377
EOS-2-04433,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1cncnc1,RHNTYDPRNMMDCM-UHFFFAOYSA-N,2,1,0.524,16,817,451.824,4.154,5,0.371,0.65,1.0,0.9467479953395929,0.8977023507641697,0.9174405455417723,0.9143050510588719,0.9190489856761017
EOS-2-04434,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)cn1,LSZQYOIJNTUWFX-UHFFFAOYSA-N,2,1,0.524,72,208,451.824,4.154,5,0.371,0.69,1.0,0.7770115139469536,0.8740747721197999,0.8506356658213967,0.8703395928997327,0.8430153861969708
EOS-2-04435,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)nc1,HVNQEWJKNXEHKA-UHFFFAOYSA-N,2,1,0.512,73,665,451.824,4.154,5,0.396,0.75,1.0,0.9060465355356041,0.9242683846206565,0.8163851004043589,0.8412634500719621,0.8719908676581454
EOS-2-04436,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)c(F)c1,GEODKHQBWJCJCH-UHFFFAOYSA-N,2,1,0.506,73,401,451.824,4.154,5,0.371,0.7,1.0,0.7655232677678021,0.915024672743472,0.8326365567815777,0.8622095812487149,0.8438485196353916
EOS-2-04437,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cccc(Cl)n5)n4)n23)cc1,AMGMGTIQTIDARG-UHFFFAOYSA-N,2,1,0.548,34,210,451.824,4.154,5,0.371,0.71,1.0,0.9690219998629293,0.9612346652045781,0.6623774929751216,0.7470958124871496,0.8349324926324446
EOS-2-04438,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)cnc1F,ZZRHZPVIYLZGSG-UHFFFAOYSA-N,2,1,0.482,73,19,451.824,4.154,5,0.371,0.71,1.0,0.9374186142142417,0.9129600438626551,0.818004249194709,0.8333219107669111,0.8754262045096292
EOS-2-04439,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ncccc4F)nn3)n12,FNFDGRXJRVCQRO-UHFFFAOYSA-N,2,1,0.535,34,820,451.824,4.154,5,0.396,0.71,1.0,0.7770200808717703,0.9326211363169077,0.7462219861558494,0.8173531629086424,0.8183040915632925
EOS-2-04440,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nn2)c1,PJZVNHUHTAVGAE-UHFFFAOYSA-N,2,1,0.523,34,391,451.824,4.154,5,0.396,0.72,1.0,0.8911657871290521,0.952779110410527,0.8506442327462134,0.8774330066479337,0.8930055342334315
EOS-2-04441,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)ccn2)cn1,VCDZAZBEBQPUKS-UHFFFAOYSA-N,2,1,0.5,73,980,451.824,4.154,5,0.371,0.71,1.0,0.8522976492358303,0.8654735796038654,0.8752570077445,0.880260091837434,0.8683220821054074
EOS-2-04442,Fc1c(Cl)ccc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)c1F,UHIGNMFYEBIKNG-UHFFFAOYSA-N,2,1,0.443,46,540,451.824,4.154,5,0.371,0.63,1.0,0.7175227880200123,0.7156209307107121,0.8910030155575355,0.887276403262285,0.8028557843876363
EOS-2-04443,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nc2F)cn1,VCLLOIJBHQJISE-UHFFFAOYSA-N,2,1,0.429,46,31,451.824,4.154,5,0.371,0.72,1.0,0.7418357206497156,0.7605544513741347,0.80057055719279,0.8193149886916592,0.7805689294770749
EOS-2-04444,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)cnn1,WPXPRFQAEPOEJT-UHFFFAOYSA-N,2,1,0.517,34,389,451.824,4.154,5,0.396,0.67,1.0,0.8654907134534987,0.9440751147967925,0.8725155918031663,0.8830786101021177,0.8912900075388939
EOS-2-04445,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncnc5F)c4)n23)cc1Cl,WTSRYGIGIVDRCO-UHFFFAOYSA-N,2,1,0.638,59,577,451.824,4.154,5,0.371,0.71,1.0,0.9484613803029265,0.887533411006785,0.9027397025563704,0.9007436090740868,0.9098695257350422
EOS-2-04446,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)cc1Cl,CYFPQZFJYVPOBH-UHFFFAOYSA-N,2,1,0.449,54,691,451.824,4.154,5,0.396,0.72,1.0,0.6356058529230347,0.7063429511342608,0.8042800356384072,0.8570865602083476,0.7508288499760126
EOS-2-04447,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)cc1F,PJELZHKMQJXCDV-UHFFFAOYSA-N,2,1,0.472,59,469,451.824,4.154,5,0.371,0.61,1.0,0.7797443629634706,0.890163456925502,0.8640429031594818,0.8669984922212323,0.8502373038174217
EOS-2-04448,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cc5F)nc4)n23)cn1,WYSAJTXZEDKYEA-UHFFFAOYSA-N,2,1,0.483,55,109,451.824,4.154,5,0.371,0.74,1.0,0.9045387567678707,0.9109296826811047,0.8252347337399767,0.8352923034747447,0.8689988691659243
EOS-2-04449,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ncn4)n23)c(Cl)c1,SBNJPHOUJDUJPM-UHFFFAOYSA-N,2,1,0.415,44,488,451.824,4.154,5,0.371,0.74,0.807,0.6871616064697417,0.7477897333972997,0.8803885957096841,0.895526351860736,0.8027165718593654
EOS-2-04450,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cn2)cn1,BGKVRXHTQWNYPA-UHFFFAOYSA-N,2,1,0.456,55,526,451.824,4.154,5,0.371,0.72,1.0,0.7386573915427318,0.865482146528682,0.8235384826262765,0.837271263107395,0.8162373209512713
EOS-2-04451,Fc1ccc(F)c(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1,ZEVJKZIRYHRCQF-UHFFFAOYSA-N,2,1,0.57,34,929,451.824,4.154,5,0.396,0.69,1.0,0.9516739771091769,0.9782143101912137,0.7834367075594545,0.8653622095812488,0.8946718011102734
EOS-2-04452,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cnn2)cc1F,TVSNNOYRHNCTMU-UHFFFAOYSA-N,2,1,0.523,59,89,451.824,4.154,5,0.371,0.54,1.0,0.8309403056678775,0.8473631005414296,0.8982249331779865,0.9087622507024878,0.8713226475224454
EOS-2-04453,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)cn1,CSOGEYOJHPYLDE-UHFFFAOYSA-N,2,1,0.511,34,10,451.824,4.154,5,0.371,0.71,1.0,0.8207970666849428,0.9413508327050922,0.8292012199300939,0.8589284490439312,0.862569392091015
EOS-2-04454,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)nn2)cn1,PHSLXIVWUVDOMC-UHFFFAOYSA-N,2,1,0.483,34,671,451.824,4.154,5,0.371,0.67,1.0,0.6991895689123432,0.8335703515865944,0.8005791241176068,0.8392673565896785,0.7931516003015557
EOS-2-04455,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)c1,WMGKHSMVHRXCGB-UHFFFAOYSA-N,2,1,0.511,34,10,451.824,4.154,5,0.396,0.67,1.0,0.8103111507093413,0.9341374820094579,0.8252433006647933,0.8638115961894318,0.8583758823932561
EOS-2-04456,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c(F)c2)cnn1,NYWAXPFLDUBKND-UHFFFAOYSA-N,2,1,0.529,34,712,451.824,4.154,5,0.396,0.66,1.0,0.7083733123158111,0.8740833390446165,0.8738691659241998,0.8926992666712357,0.8372562709889658
EOS-2-04457,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccc5Cl)n34)nn2)c(F)c1,OQMCKNUPOLGWNT-UHFFFAOYSA-N,2,1,0.483,34,691,451.824,4.154,5,0.396,0.76,0.99,0.7020252210266603,0.7605630182989515,0.7739616887122198,0.8468490850524296,0.7708497532725653
EOS-2-04458,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccc2F)nn1,TVQZNRPPJGBZEY-UHFFFAOYSA-N,2,1,0.535,34,799,451.824,4.154,5,0.396,0.66,1.0,0.810319717634158,0.8977109176889864,0.8423942841477623,0.8638201631142485,0.8535612706462887
EOS-2-04459,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ncn2)c(F)c1,QKAOYHVHKWQCCM-UHFFFAOYSA-N,2,1,0.478,44,488,451.824,4.154,5,0.396,0.65,0.84,0.6811818929477075,0.72467617024193,0.8375882393256117,0.8759509286546501,0.7798493077924747
EOS-2-04460,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)cn2)cn1,HVQDXDAWLVOJLM-UHFFFAOYSA-N,2,1,0.466,59,877,451.824,4.154,5,0.371,0.65,1.0,0.6930470838187924,0.8504985950243301,0.8126327873346584,0.8412720169967788,0.7993626207936398
EOS-2-04461,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c(F)c1,HZSDBDMTHOOPGP-UHFFFAOYSA-N,2,1,0.494,72,22,451.824,4.154,5,0.396,0.73,1.0,0.8564012062230142,0.8566753478171476,0.8062075937221574,0.8292269207045438,0.8371277671167158
EOS-2-04462,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)c1,SGRCSEIVPBBRDN-UHFFFAOYSA-N,2,1,0.511,73,877,451.824,4.154,5,0.396,0.65,1.0,0.8358662874374615,0.9452059488725927,0.8359947913097114,0.8653707765060654,0.8706094510314577
EOS-2-04463,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cn2)c1,CYROWHPHORCSOO-UHFFFAOYSA-N,2,1,0.523,73,401,451.824,4.154,5,0.396,0.68,1.0,0.8742204098416833,0.9341460489342746,0.859733739976698,0.8787694469193338,0.8867174114179974
EOS-2-04464,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cc2Cl)cnn1,UXXBBZUSWYBCIL-UHFFFAOYSA-N,2,1,0.5,16,772,451.824,4.154,5,0.396,0.6,1.0,0.8839181687341512,0.9109382496059215,0.9107754780344047,0.9176204509629223,0.9058130868343499
EOS-2-04465,FC(F)Oc1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(Cl)nc5)cn4)n23)cc1,GWHCIUPESVUCGJ-UHFFFAOYSA-N,2,1,0.527,96,121,451.824,4.565,5,0.361,0.77,1.0,0.5489171407031732,0.7865465012679048,0.914536358028922,0.9131913508327051,0.7907978377081762
EOS-2-04466,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2F)nc1,HAKGNPWPIRWSDF-UHFFFAOYSA-N,2,1,0.472,73,401,451.824,4.154,5,0.396,0.73,1.0,0.8429597011856624,0.8875419779316017,0.8217222945651429,0.8486481392639298,0.8502180282365841
EOS-2-04467,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)nn1,QNUGHXFEBSTNCG-UHFFFAOYSA-N,2,1,0.494,72,613,451.824,4.154,5,0.396,0.65,1.0,0.6782605715852238,0.7694040847097526,0.7959358508669728,0.8251404975669934,0.7671852511822357
EOS-2-04468,Fc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)c1Cl,HDAZSZKJSVOCBW-UHFFFAOYSA-N,2,1,0.518,73,540,451.824,4.154,5,0.371,0.63,1.0,0.8285758344184772,0.8505071619491468,0.8817593036803509,0.8844578849976013,0.8613250462613941
EOS-2-04469,N=c1ccc(-c2ccc(F)c(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)c2)n[nH]1,XQHURYHDRFIWDK-UHFFFAOYSA-N,2,1,0.424,13,145,451.824,4.385,5,0.422,0.74,1.0,0.6356144198478514,0.7063515180590775,0.9145449249537386,0.9208673154684395,0.7943445445822768
EOS-2-04470,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)c1,HOXKEHVVKTZUMP-UHFFFAOYSA-N,2,1,0.506,59,109,451.824,4.154,5,0.371,0.71,1.0,0.902979576451237,0.9326297032417243,0.8803971626345007,0.8802686587622507,0.8990687752724282
EOS-2-04471,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nn2)ccn1,RKDZRCHHUIOZAA-UHFFFAOYSA-N,2,1,0.568,54,691,451.824,4.154,5,0.371,0.73,0.999,0.8384020971831951,0.8301949832088273,0.8684291686656158,0.8886471112329518,0.8564183400726476
EOS-2-04472,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ccn4)n23)cc1F,FRPAUXLUZOQRKQ-UHFFFAOYSA-N,2,1,0.568,59,294,451.824,4.154,5,0.396,0.72,1.0,0.782725652799671,0.7477983003221164,0.8640514700842985,0.8774415735727503,0.818004249194709
EOS-2-04473,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5cncc(Cl)c5)n4)n23)c1F,OOGYOAOEGIHLRT-UHFFFAOYSA-N,2,1,0.444,59,910,451.824,4.154,5,0.396,0.63,0.953,0.7939740250839559,0.7522359673771503,0.8581317250359811,0.8872849701871016,0.8229066719210472
EOS-2-04474,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nn4)n23)n1,JVVFHCLPIPHEDW-UHFFFAOYSA-N,2,1,0.456,19,691,451.824,4.154,5,0.371,0.78,0.999,0.7112860667534782,0.7522445343019669,0.8062161606469742,0.8486567061887464,0.7796008669727914
EOS-2-04475,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)c1F,SGYJIJVKBLOROJ-UHFFFAOYSA-N,2,1,0.5,59,109,451.824,4.154,5,0.371,0.78,1.0,0.9178089233088891,0.9356538277020081,0.8840295387567678,0.877450140497567,0.903735607566308
EOS-2-04476,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)nn2)c1,DQUPQQZZPHVJAH-UHFFFAOYSA-N,2,1,0.456,54,691,451.824,4.154,5,0.396,0.77,0.904,0.6628486738400384,0.7109176889863614,0.7534010691522172,0.8292354876293606,0.7391007299019944
EOS-2-04477,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4cnc(Cl)nc4)c(F)c3)n12,QTDVXMSWLJSZRP-UHFFFAOYSA-N,2,1,0.524,73,716,451.824,4.154,5,0.371,0.75,1.0,0.9578764306764443,0.9295199095332739,0.9060037009115208,0.9007521759989034,0.9235380542800355
EOS-2-04478,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cn2)cn1,FREGAMJMPRNDPE-UHFFFAOYSA-N,2,1,0.472,59,469,451.824,4.154,5,0.371,0.68,1.0,0.7655318346926188,0.8654907134534987,0.8655249811527654,0.8686005071619491,0.841287009115208
EOS-2-04479,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5nc(=O)o[nH]5)cc4Cl)n23)c1,LSURPQWWFMEDCD-UHFFFAOYSA-N,2,1,0.484,4,71,451.83,2.771,5,0.413,0.67,1.0,0.4325697347680077,0.5286135288876704,0.41471626345007195,0.34770577753409637,0.43090132615996163
EOS-2-04480,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ncc1-c1nc(C)no1,HBTCVDFBZBFHFC-UHFFFAOYSA-N,2,1,0.376,31,587,451.834,2.576,5,0.376,0.62,0.971,0.465415324515112,0.3928277705434857,0.09039819066547872,0.07084846823384278,0.2548724384894798
EOS-2-04481,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)o1,BSGUCXPQQKDLSG-UHFFFAOYSA-N,2,1,0.469,53,602,451.834,2.31,5,0.36,0.71,0.995,0.5676787060516757,0.5999160441367967,0.050287848673840035,0.04836029059008978,0.31656072236310057
EOS-2-04482,COc1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1nnc(C)o1,YFGVMOWVWFLXJS-UHFFFAOYSA-N,2,1,0.36,53,587,451.834,2.576,5,0.352,0.66,0.974,0.4235401960112398,0.3883044342402851,0.04198649852648893,0.03169762182167089,0.2213821876499212
EOS-2-04483,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)cn2)o1,HEYPWPCKRHMAFG-UHFFFAOYSA-N,2,1,0.469,65,779,451.834,2.31,5,0.36,0.67,0.967,0.5813772188335276,0.5804776917277774,0.05595058597765746,0.05097320265917346,0.31719467479953395
EOS-2-04484,Cc1cc(COc2cncc3nnc(-c4cc(-c5nc(Cl)cc(CO)n5)ncn4)n23)on1,GKUIVSXEYYJTIW-UHFFFAOYSA-N,2,1,0.441,31,395,451.834,2.059,5,0.377,0.53,0.654,0.41664382153382223,0.38366116098965114,0.0855321773696114,0.08195976972106092,0.2419492324035364
EOS-2-04485,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cn2)o1,VCCXBRGCTKTWQY-UHFFFAOYSA-N,2,1,0.489,65,981,451.834,2.31,5,0.336,0.68,0.995,0.6659413336988554,0.6233380165855664,0.07202213693372626,0.05634466451922418,0.3544115379343431
EOS-2-04486,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nc(C)no1,QNUVHGACVFAMDA-UHFFFAOYSA-N,2,1,0.364,7,94,451.834,2.576,5,0.376,0.6,1.0,0.42137276403262286,0.37887225001713387,0.05408299636762388,0.040555822082105404,0.22372095812487153
EOS-2-04487,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nnnn1C,NBBJUALKAWYCIC-UHFFFAOYSA-N,2,1,0.411,31,105,451.838,1.408,5,0.369,0.6,1.0,0.27782537180453704,0.34537557398396274,0.019798163251319306,0.018230416009869098,0.16530738126242203
EOS-2-04488,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nnn(C)n1,GAYDNAZKKQQCEN-UHFFFAOYSA-N,2,1,0.384,51,924,451.838,1.408,5,0.369,0.52,0.944,0.3398841751764787,0.3402782537180454,0.015060653827702008,0.010897128366801453,0.1765300527722569
EOS-2-04489,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cc2)cnc1Cl,GRCFKJXFNCDXPK-UHFFFAOYSA-N,2,1,0.372,83,558,451.839,6.25,5,0.303,0.81,1.0,0.4515112055376602,0.7522531012267837,0.9926324446576656,0.995382427523816,0.7979447947364814
EOS-2-04490,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1,DXXCMAWFIAGDBF-UHFFFAOYSA-N,2,1,0.392,83,472,451.839,6.193,5,0.307,0.84,1.0,0.47286854910561305,0.7156294976355287,0.997087245562333,0.9976697964498663,0.7958137721883352
EOS-2-04491,Fc1cc(-c2nnc3cncc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)ccc1C(F)F,SAKATNMPZGSDIM-UHFFFAOYSA-N,2,1,0.341,96,558,451.839,6.25,5,0.303,0.72,1.0,0.4260246042080735,0.7063600849838941,0.9923754369131657,0.9951425536289493,0.7799756699335206
EOS-2-04492,FC(F)(F)c1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,XGYQDWWXHNTPSS-UHFFFAOYSA-N,2,1,0.405,83,533,451.839,6.193,5,0.328,0.77,0.998,0.5257436090740868,0.8369028853402782,0.9951339867041327,0.9957593722157494,0.8383849633335618
EOS-2-04493,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1cnco1,IUTBWUSWHAIXMT-UHFFFAOYSA-N,2,1,0.693,97,103,451.845,4.826,5,0.365,0.72,1.0,0.9717120142553629,0.8901720238503187,0.9201476937838393,0.8787780138441506,0.9152024364334179
EOS-2-04494,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1cocn1,GOYRIFKVYMNNOV-UHFFFAOYSA-N,2,1,0.667,43,383,451.845,4.826,5,0.365,0.75,1.0,0.977434720032897,0.9089421561236378,0.9107840449592214,0.8686090740867658,0.9164424988006304
EOS-2-04495,COc1c(Cl)ccc(-c2nnc3cncc(OCc4ccc(-c5ccoc5)nc4)n23)c1F,UMJPQEFSCRSMSY-UHFFFAOYSA-N,2,1,0.477,97,109,451.845,4.826,5,0.365,0.66,1.0,0.9013175930368035,0.8335789185114112,0.8655335480775821,0.8086148995956411,0.8522612398053595
EOS-2-04496,COc1cc(F)cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)c1,WEIVGGUAPGRXJD-UHFFFAOYSA-N,2,1,0.585,57,798,451.845,4.826,5,0.365,0.73,1.0,0.965415324515112,0.9295284764580906,0.8655421150023987,0.8468576519772463,0.9018358919882119
EOS-2-04497,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)nc2)o1,RULVXJORUIPUSW-UHFFFAOYSA-N,2,1,0.602,19,308,451.849,3.959,5,0.382,0.82,1.0,0.8611472825714481,0.7156380645603454,0.5380799808100885,0.552172572133507,0.6667594750188472
EOS-2-04498,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ccn2)no1,HXYHFRMVKDVAHB-UHFFFAOYSA-N,2,1,0.684,75,360,451.849,3.959,5,0.382,0.73,1.0,0.8181327530669591,0.6865447878829415,0.5180333767390858,0.5457645123706394,0.6421188575149064
EOS-2-04499,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)no1,QDBYJSJMXJTBGB-UHFFFAOYSA-N,2,1,0.728,84,360,451.849,3.959,5,0.382,0.76,1.0,0.8451528339387293,0.8536597902816805,0.5143495990679186,0.5358611472825714,0.6872558426427249
EOS-2-04500,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccn2)no1,LBJYDAPFWRJHAP-UHFFFAOYSA-N,2,1,0.684,75,360,451.849,3.959,5,0.382,0.75,1.0,0.8181413199917758,0.6865533548077583,0.5180419436639024,0.5427746556096223,0.6413778185182647
EOS-2-04501,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)o1,QIHHJTRZSWTFOU-UHFFFAOYSA-N,2,1,0.527,84,672,451.849,3.959,5,0.382,0.7,1.0,0.6841117812350079,0.6963796175724762,0.564757384689192,0.5993420601740799,0.636147710917689
EOS-2-04502,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)c(O)c4F)n23)c(-c2ccccn2)n1,GGIJDBRLNZXCHG-UHFFFAOYSA-N,2,1,0.452,16,772,451.849,3.664,5,0.435,0.61,1.0,0.5026386128435337,0.6865619217325749,0.57481495442396,0.5813086834349942,0.5863310431087657
EOS-2-04503,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)no1,NQXVHKZATDTKKL-UHFFFAOYSA-N,2,1,0.56,84,672,451.849,3.959,5,0.382,0.77,1.0,0.7267493660475636,0.830203550133644,0.48659276266191487,0.5328198889726544,0.6440913919539443
EOS-2-04504,COc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)nn2C)c1,AKONLLAMRJFNMV-UHFFFAOYSA-N,2,1,0.404,13,956,451.849,4.18,5,0.395,0.73,1.0,0.37213864711123296,0.3977280515386197,0.7000890960180933,0.6755105887190734,0.5363665958467548
EOS-2-04505,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)o1,XTYPWNMYJIJEGW-UHFFFAOYSA-N,2,1,0.562,84,749,451.849,3.959,5,0.382,0.74,1.0,0.8285844013432938,0.8335874854362278,0.4692704406826126,0.5159259132341855,0.6618420601740799
EOS-2-04506,Cn1nc(-c2ccc(F)c(Cl)n2)cc1Oc1cncc2nnc(-c3ccc(CO)cc3)n12,MNHJIABMVMWHGB-UHFFFAOYSA-N,2,1,0.411,43,706,451.849,3.664,5,0.407,0.75,0.928,0.7083818792406278,0.7109262559111781,0.70009766294291,0.6697022136933726,0.6972770029470221
EOS-2-04507,COc1cnccc1-c1cc(Oc2cncc3nnc(-c4cc(Cl)ccc4F)n23)n(C)n1,NGEGBXRESWBRDL-UHFFFAOYSA-N,2,1,0.387,13,706,451.849,4.18,5,0.395,0.7,1.0,0.5101860736070181,0.5422606401206223,0.6866047563566582,0.632247618394901,0.5928247721197999
EOS-2-04508,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cc2)o1,NDLFVGJWDXNPDN-UHFFFAOYSA-N,2,1,0.571,91,273,451.849,3.668,5,0.406,0.64,1.0,0.8782896991296004,0.8225104516482763,0.7101466657528613,0.7014084024398601,0.7780888047426495
EOS-2-04509,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnnn1C,XEBOHXWSXPZJMJ-UHFFFAOYSA-N,2,1,0.489,13,209,451.849,4.18,5,0.395,0.69,1.0,0.49008806798711535,0.5752004660407101,0.7624134740593517,0.717916866561579,0.6364047186621891
EOS-2-04510,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)o1,BJSMSCPUVYONMJ-UHFFFAOYSA-N,2,1,0.565,37,125,451.849,3.959,5,0.382,0.7,1.0,0.9123003906517716,0.8505157288739634,0.528005277225687,0.562024535672675,0.7132114831060243
EOS-2-04511,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccn2)no1,IIHZOJBUOMMDIO-UHFFFAOYSA-N,2,1,0.602,75,166,451.849,3.959,5,0.382,0.69,1.0,0.7386659584675485,0.6815588376396409,0.455229250908094,0.5124991433075183,0.5969882975807004
EOS-2-04512,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)ccc1-c1nnco1,NPJQQARHNWCAFN-UHFFFAOYSA-N,2,1,0.435,54,717,451.849,4.17,5,0.379,0.59,0.641,0.6298146117469673,0.6376790487286683,0.4829518196148311,0.5328284558974711,0.5708184839969844
EOS-2-04513,COc1cc(-c2nnc3cncc(OCc4ccc(-n5cc(F)cn5)nc4)n23)ccc1Cl,DCCSDHQURXQCGT-UHFFFAOYSA-N,2,1,0.517,16,67,451.849,3.752,5,0.388,0.7,1.0,0.5676872729764924,0.6815674045644575,0.7208638886985128,0.6667894592557055,0.6592270063737921
EOS-2-04514,COc1ccc(-n2ncnc2COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,HZJYOKYEMQIQPP-UHFFFAOYSA-N,2,1,0.506,34,612,451.849,3.752,5,0.388,0.73,1.0,0.5410013021725721,0.7015711740113769,0.6184034678911657,0.6176410115824823,0.6196542389143993
EOS-2-04515,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)o1,VWUIESVRJZBUKA-UHFFFAOYSA-N,2,1,0.545,84,73,451.849,3.959,5,0.382,0.63,1.0,0.702033787951477,0.662163319854705,0.5748235213487767,0.5903553560413953,0.6323439962990886
EOS-2-04516,Cc1noc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ccn2)n1,ZVMKVPAGBZENMT-UHFFFAOYSA-N,2,1,0.696,75,360,451.849,3.959,5,0.382,0.69,1.0,0.8587485436227812,0.6718610787471729,0.5346960455075046,0.5521811390583237,0.6543717017339455
EOS-2-04517,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nc2)o1,NOFVXWLMICUBEB-UHFFFAOYSA-N,2,1,0.602,19,308,451.849,3.959,5,0.382,0.81,1.0,0.8634175176478651,0.7109348228359947,0.5380885477349051,0.5489257076279899,0.6653416489616888
EOS-2-04518,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1nccn1C,WIYRBYXFFRPMHU-UHFFFAOYSA-N,2,1,0.424,13,971,451.849,4.18,5,0.395,0.7,1.0,0.5989222808580632,0.5286220958124872,0.5448307175656226,0.5057398396271674,0.5445287334658351
EOS-2-04519,OCCn1cc(-c2ccc(Oc3cncc4nnc(-c5cc(F)cc(Cl)c5)n34)nc2)cn1,FNLZUAYQTDEELG-UHFFFAOYSA-N,2,1,0.433,13,412,451.849,3.627,5,0.42,0.73,1.0,0.41426221643478855,0.42118429168665616,0.6866133232814748,0.6874443149886916,0.5523760365979028
EOS-2-04520,OCc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,JUKPTXWFGNEGTE-UHFFFAOYSA-N,2,1,0.495,16,446,451.849,3.236,5,0.422,0.63,1.0,0.5334367075594545,0.642228085806319,0.6481392639298198,0.6553012130765541,0.6197763175930369
EOS-2-04521,COc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)n[nH]1,BVFXWCZRCYCEEK-UHFFFAOYSA-N,2,1,0.494,24,912,451.849,3.957,5,0.416,0.58,0.97,0.8358748543622782,0.7434034678911657,0.7788105681584538,0.7393256116784319,0.7743536255225824
EOS-2-04522,Cc1noc(-c2cncc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)n1,MJLFXPKSFAVGQS-UHFFFAOYSA-N,2,1,0.529,84,749,451.849,3.959,5,0.382,0.74,1.0,0.705332054005894,0.6233465835103831,0.5280138441505038,0.565271400178192,0.6054909704612432
EOS-2-04523,COc1ccn(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)n1,IXXKJGOXIHXOFL-UHFFFAOYSA-N,2,1,0.542,34,32,451.849,3.752,5,0.388,0.76,1.0,0.4949540812829827,0.7822716057843876,0.5245014049756699,0.5159344801590021,0.5794153930505105
EOS-2-04524,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cn2)no1,QVVLHANDRFDFSQ-UHFFFAOYSA-N,2,1,0.598,84,524,451.849,3.959,5,0.382,0.72,1.0,0.6901000616818587,0.8031920361866904,0.4725772736618463,0.512507710232335,0.6195942704406826
EOS-2-04525,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)no1,SZBGKMORDVSRAA-UHFFFAOYSA-N,2,1,0.581,35,626,451.849,3.959,5,0.357,0.76,1.0,0.8721472140360497,0.8505242957987801,0.5245099719004866,0.5388938386676718,0.696518830100747
EOS-2-04526,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)o1,OMCSHFPGSCSWOF-UHFFFAOYSA-N,2,1,0.581,37,626,451.849,3.959,5,0.357,0.73,1.0,0.9029881433760537,0.8628863683092317,0.5482489205674731,0.5556850113083408,0.7174521108902748
EOS-2-04527,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)ccn2)o1,FJNRCVGQHGWHRY-UHFFFAOYSA-N,2,1,0.5,75,496,451.849,3.959,5,0.357,0.65,1.0,0.8742289767664999,0.7292937427181139,0.5380971146597218,0.5222226029744363,0.6659606092796929
EOS-2-04528,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)ccc1-c1cncn1C,ZUCVMLKLVSSRQO-UHFFFAOYSA-N,2,1,0.517,13,573,451.849,4.18,5,0.395,0.67,0.998,0.6961140429031595,0.5612620793639915,0.6730176135974231,0.620690836817216,0.6377711431704475
EOS-2-04529,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nc2F)o1,DYKSLKXXWOKEBO-UHFFFAOYSA-N,2,1,0.575,19,442,451.849,3.959,5,0.357,0.62,1.0,0.7238023439106298,0.6621718867795217,0.40793125899527105,0.46833664587759577,0.5655605338907546
EOS-2-04530,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)o1,YPDADQQSRTVIHH-UHFFFAOYSA-N,2,1,0.545,37,563,451.849,3.959,5,0.382,0.71,1.0,0.8801144541155507,0.8598279761496813,0.47258584058666303,0.49864642587896646,0.6777936741827153
EOS-2-04531,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)o1,YEVKAQYTTCRHHN-UHFFFAOYSA-N,2,1,0.716,84,360,451.849,3.959,5,0.382,0.76,1.0,0.92459392776369,0.8628949352340484,0.5311664724830375,0.5489342745528065,0.7168974025083956
EOS-2-04532,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1nc[nH]n1,AMYQVNUDENFMMH-UHFFFAOYSA-N,2,1,0.483,47,718,451.849,3.957,5,0.416,0.63,1.0,0.8611558494962648,0.7822801727092044,0.7788191350832705,0.7367898019326983,0.7897612398053595
EOS-2-04533,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)no1,IFRNWNOSBHWIHP-UHFFFAOYSA-N,2,1,0.562,84,749,451.849,3.959,5,0.382,0.74,1.0,0.7357703378795147,0.7988914399287231,0.4515454732369269,0.5023644712494003,0.6221429305736412
EOS-2-04534,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)no1,CSLNQKBCNLRPGP-UHFFFAOYSA-N,2,1,0.728,84,360,451.849,3.959,5,0.382,0.76,1.0,0.8451614008635461,0.8505328627235967,0.5143581659927352,0.5358697142073882,0.6864805359468166
EOS-2-04535,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)no1,SAESAHBWQOILJM-UHFFFAOYSA-N,2,1,0.517,15,921,451.849,3.959,5,0.382,0.68,1.0,0.7299533959289973,0.657211637310671,0.4655438283873621,0.4803046398464807,0.5832533753683777
EOS-2-04536,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1cc[nH]n1,IOEYIURWUVHZLK-UHFFFAOYSA-N,2,1,0.457,16,591,451.849,3.957,5,0.39,0.58,1.0,0.8762250702487835,0.720187101637996,0.802352477554657,0.7230998560756631,0.7804661263792749
EOS-2-04537,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5Cl)n34)cn2)no1,MVOGTJFIYAOMPC-UHFFFAOYSA-N,2,1,0.571,84,73,451.849,3.959,5,0.382,0.77,1.0,0.7537351792200672,0.794667945994106,0.489891028716332,0.5291789459255706,0.641868274964019
EOS-2-04538,COc1cc(-c2nnc3cncc(OCc4cc(F)c(-c5cc[nH]n5)cn4)n23)ccc1Cl,OAZQGMHBTWBJOK-UHFFFAOYSA-N,2,1,0.484,4,67,451.849,3.957,5,0.416,0.66,1.0,0.7684617229799191,0.8185439654581591,0.7935713796175725,0.7443543965458159,0.7812328661503667
EOS-2-04539,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccn(C)n1,WBBXPCJMFMPDBN-UHFFFAOYSA-N,2,1,0.409,13,251,451.849,4.18,5,0.395,0.68,1.0,0.4515197724624769,0.5059882804468508,0.612286683572065,0.5589404427386745,0.5321837948050168
EOS-2-04540,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)o1,HSKQNICGEVWGMV-UHFFFAOYSA-N,2,1,0.529,84,749,451.849,3.959,5,0.382,0.73,1.0,0.7083904461654444,0.6621804537043383,0.5311750394078542,0.5717993968884929,0.6183863340415325
EOS-2-04541,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1-c1cnnn1C,MNNMOYRIWUMEIH-UHFFFAOYSA-N,2,1,0.489,13,209,451.849,4.18,5,0.395,0.73,1.0,0.48761222671509835,0.5752090329655267,0.760031868960318,0.7205897471043794,0.6358607189363306
EOS-2-04542,OCCn1cc(-c2cccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)cn1,UEETWTBSQXXECB-UHFFFAOYSA-N,2,1,0.452,13,706,451.849,3.627,5,0.42,0.81,1.0,0.5786529367418272,0.5656740456445755,0.6510006168185868,0.6610667534781715,0.6140985881707902
EOS-2-04543,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)n1,JCWHSTUWESGGIN-UHFFFAOYSA-N,2,1,0.695,84,360,451.849,3.959,5,0.382,0.8,1.0,0.8839267356589678,0.8185525323829758,0.5280224110753204,0.542783222534439,0.6933212254129257
EOS-2-04544,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)n1,SWXXPBLSSLOOBX-UHFFFAOYSA-N,2,1,0.695,84,360,451.849,3.959,5,0.382,0.78,1.0,0.8819734768007675,0.8185610993077925,0.5280309780001371,0.5457730792954562,0.6935846583510383
EOS-2-04545,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1O,JEPQOWNDWNFKIO-UHFFFAOYSA-N,2,1,0.667,43,96,451.849,3.664,5,0.435,0.56,1.0,0.729961962853814,0.782288739634021,0.7895449249537386,0.7771400178192036,0.7697339113151943
EOS-2-04546,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)no1,LRPPTTKFYWGCBG-UHFFFAOYSA-N,2,1,0.691,84,360,451.849,3.959,5,0.382,0.76,1.0,0.6930556507436091,0.7015797409361936,0.5681584538414091,0.5843670755945446,0.6367902302789391
EOS-2-04547,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cn2)no1,MRCZGXPLKFZTJI-UHFFFAOYSA-N,2,1,0.56,84,166,451.849,3.959,5,0.382,0.74,1.0,0.6901086286066753,0.8147488177643754,0.4866013295867315,0.5291875128503872,0.6301615722020424
EOS-2-04548,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)ccn2)no1,OVBKDDVERWNBJF-UHFFFAOYSA-N,2,1,0.612,75,166,451.849,3.959,5,0.382,0.69,1.0,0.7627304502775684,0.6669179631279556,0.49649612774998286,0.5291960797752039,0.6138351552326776
EOS-2-04549,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccc(F)cc1O,LQVAUDMLICCTKT-UHFFFAOYSA-N,2,1,0.457,95,965,451.849,3.664,5,0.435,0.63,0.443,0.4779658693715304,0.46109759440751147,0.6567575902953876,0.6874528819135083,0.5708184839969844
EOS-2-04550,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2)o1,FALKRCPOQPIVDP-UHFFFAOYSA-N,2,1,0.56,72,889,451.849,3.959,5,0.357,0.68,1.0,0.9060551024604208,0.882144815297101,0.5381056815845384,0.5190614077170859,0.7113417517647864
EOS-2-04551,Cn1nc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cc1CO,SBCPMUXRRKZZIV-UHFFFAOYSA-N,2,1,0.424,13,995,451.849,3.664,5,0.435,0.63,1.0,0.43257830169282435,0.5471095195668563,0.7258669727914467,0.7179254334863957,0.6058700568843808
EOS-2-04552,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cc2)no1,OGXXMGRRIPFXCU-UHFFFAOYSA-N,2,1,0.547,15,922,451.849,3.959,5,0.357,0.69,1.0,0.8876190802549517,0.8302121170584607,0.4444177917894593,0.44937804125830993,0.6529067575902954
EOS-2-04553,Cn1nc(-c2cnc(CO)c(F)c2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,PYZQMBHCXPDSSF-UHFFFAOYSA-N,2,1,0.463,13,706,451.849,3.664,5,0.435,0.74,1.0,0.6386642450825851,0.7865550681927216,0.667526214789939,0.6726149681310397,0.6913401240490713
EOS-2-04554,Cn1c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)cnc1CO,GTDUVUUWICOZOW-UHFFFAOYSA-N,2,1,0.435,13,412,451.849,3.664,5,0.435,0.59,1.0,0.6074977725995476,0.7605715852237681,0.6422623535055856,0.6411572202042355,0.6628722328832842
EOS-2-04555,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)no1,IFAMXEFEGIQEGD-UHFFFAOYSA-N,2,1,0.552,37,141,451.849,3.959,5,0.382,0.7,1.0,0.8309488725926941,0.8335960523610445,0.45155404016174355,0.4835343705023645,0.6499083339044617
EOS-2-04556,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n(C)n2)nn1,HGDGBDZJWMYSLT-UHFFFAOYSA-N,2,1,0.529,36,404,451.853,3.057,5,0.401,0.56,1.0,0.4827547803440477,0.7434120348159825,0.23160681241861422,0.3034833116304571,0.4403142348022754
EOS-2-04557,Cc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1cnnn1C,MYCDUCIZWRWZKH-UHFFFAOYSA-N,2,1,0.451,36,379,451.853,3.057,5,0.375,0.58,1.0,0.41897402508395587,0.5101775066822014,0.3406723322596121,0.347714344458913,0.4043845521211706
EOS-2-04558,CCc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)nc(Cl)c5)n34)cn2)n[nH]1,YWQXLWJQJJSKGP-UHFFFAOYSA-N,2,1,0.449,55,565,451.853,3.3,5,0.39,0.54,1.0,0.5647488177643754,0.6280069906106504,0.26743369200191897,0.29410252895620587,0.4385730073332876
EOS-2-04559,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1cnc(Cl)nc1,GBFUDGXCXNLBBL-UHFFFAOYSA-N,2,1,0.418,95,462,451.853,2.791,5,0.286,0.69,0.985,0.4284404770063738,0.3928363374683024,0.2564080597628675,0.2851843602220547,0.3407173086148996
EOS-2-04560,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1F,KNKSZWCUPILHDG-UHFFFAOYSA-N,2,1,0.446,31,773,451.853,2.791,5,0.362,0.53,1.0,0.517690699746419,0.5194726201082859,0.33373312315811116,0.37378349667603317,0.4361699849222123
EOS-2-04561,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc2F)n1,QSCIEFLUBDEVNH-UHFFFAOYSA-N,2,1,0.394,53,602,451.853,2.791,5,0.362,0.64,1.0,0.5384997601261051,0.5194811870331026,0.23161537934343088,0.26765643204715234,0.3893131896374477
EOS-2-04562,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2F)nn1,ZIXNRZFDIJUUFB-UHFFFAOYSA-N,2,1,0.446,31,773,451.853,2.791,5,0.362,0.6,1.0,0.5077702008087177,0.4970444109382496,0.32251045164827635,0.3572921664039476,0.42115430744979787
EOS-2-04563,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c1,GSPXZEPIDHXIHU-UHFFFAOYSA-N,2,1,0.474,65,349,451.853,2.791,5,0.362,0.57,1.0,0.5513672812007402,0.5286306627373039,0.4479130971146597,0.46215132615996163,0.49751559180316635
EOS-2-04564,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)nc1F,NANRHNOWTWUSGL-UHFFFAOYSA-N,2,1,0.357,7,94,451.853,3.231,5,0.362,0.64,0.99,0.46052361044479473,0.44793879788910973,0.3042200671646906,0.3100198752655747,0.3806755876910424
EOS-2-04565,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)nc1,FONNKYNBTYRCHL-UHFFFAOYSA-N,2,1,0.376,7,94,451.853,3.042,5,0.371,0.71,0.952,0.4605321773696114,0.4026540333082037,0.24951168528544992,0.2762918922623535,0.34724744705640465
EOS-2-04566,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5cnc(Cl)c(F)c5)ncn4)n23)cn1,GQKVUUSNTHMAFR-UHFFFAOYSA-N,2,1,0.412,31,194,451.853,2.791,5,0.362,0.57,0.704,0.49496264820779934,0.4653210883421287,0.4007607429237201,0.40814543211568777,0.442297477897334
EOS-2-04567,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cncnc1Cl,CLWWXEZBDYBAOJ-UHFFFAOYSA-N,2,1,0.43,31,235,451.853,2.791,5,0.362,0.64,0.502,0.4442293194434926,0.3788808169419505,0.2859810842300048,0.35095264203961346,0.36501096566376534
EOS-2-04568,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)n1,YVQKGXOUIBGVIZ-UHFFFAOYSA-N,2,1,0.563,37,563,451.853,2.791,5,0.387,0.68,1.0,0.7509080940305668,0.7908299636762388,0.28598965115482144,0.36071893633061475,0.5471116612980604
EOS-2-04569,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c1,NCLRCQAEKRHDKE-UHFFFAOYSA-N,2,1,0.495,65,349,451.853,2.791,5,0.362,0.57,1.0,0.5989308477828799,0.5563960660681242,0.3787523130697005,0.4081539990405044,0.4855583064903023
EOS-2-04570,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2F)n1,BWLXKGXPCKPQOM-UHFFFAOYSA-N,2,1,0.5,20,279,451.853,2.791,5,0.387,0.67,1.0,0.6628572407648551,0.7246847371667466,0.26356144198478515,0.31297546432732504,0.49101972106092795
EOS-2-04571,FCCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)c1,VPNWLMQJVQDWHF-UHFFFAOYSA-N,2,1,0.418,7,905,451.853,3.042,5,0.347,0.72,0.99,0.45614591186347747,0.4348742375436913,0.3003735179220067,0.3034918785552738,0.37372138647111236
EOS-2-04572,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)c(F)c1,IALRXPWXJHSYGS-UHFFFAOYSA-N,2,1,0.436,36,908,451.853,3.231,5,0.387,0.66,1.0,0.5410098690973888,0.6474710437941197,0.2931687341511891,0.3445531492015626,0.456550699061065
EOS-2-04573,Cn1nncc1-c1cc(F)c(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cn1,LRKFXUMEKMVDRG-UHFFFAOYSA-N,2,1,0.506,65,981,451.853,2.791,5,0.362,0.54,1.0,0.5933195120279624,0.537831539990405,0.3558871907340141,0.4018316085258036,0.47221746281954624
EOS-2-04574,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cnc(Cl)nc1,LSGUANNINFRJMY-UHFFFAOYSA-N,2,1,0.448,31,462,451.853,2.791,5,0.362,0.68,0.783,0.4605407442944281,0.4167808923308889,0.2824515112055377,0.3220821054074429,0.3704638133095744
EOS-2-04575,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c(F)c2)n1,PQNDJXMBAYDRDH-UHFFFAOYSA-N,2,1,0.506,20,279,451.853,2.791,5,0.387,0.63,1.0,0.6659499006236721,0.6963881844972929,0.2635700089096018,0.31002844219039133,0.48398413405523955
EOS-2-04576,FCCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)cn1,HLSBZUHETSPRNF-UHFFFAOYSA-N,2,1,0.452,92,329,451.853,3.042,5,0.371,0.66,1.0,0.36295490370776506,0.36439414707696527,0.2423069015146323,0.27038071413885273,0.31000916660955385
EOS-2-04577,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cn1,ZDOYXDJZTNSASN-UHFFFAOYSA-N,2,1,0.505,65,981,451.853,2.791,5,0.362,0.59,0.89,0.5961808649167295,0.6280155575354671,0.3787608799945172,0.40184017545062023,0.5011993694743335
EOS-2-04578,FCCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)cn1,NDWYYGQOHZCFAW-UHFFFAOYSA-N,2,1,0.394,46,395,451.853,3.042,5,0.347,0.72,0.982,0.3721472140360496,0.2648379137824686,0.30762970324172434,0.32209067233225963,0.3166763758481256
EOS-2-04579,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1F,JMSLXRIJRFVBAO-UHFFFAOYSA-N,2,1,0.43,36,908,451.853,3.231,5,0.362,0.69,1.0,0.610222054691248,0.6766842574189569,0.2495202522102666,0.30678157768487424,0.46080203550133647
EOS-2-04580,Cn1ncc(F)c1CCOc1cncc2nnc(-c3cnnc(-c4ccc(Cl)nc4)c3)n12,ZDKDJWSLVGUPES-UHFFFAOYSA-N,2,1,0.444,92,778,451.853,2.791,5,0.362,0.47,0.998,0.4827633472688644,0.5612706462888082,0.29317730107600576,0.3607275032554314,0.4244846994722774
EOS-2-04581,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)ncn2)cn1,TZXOBUMQTQGAEO-UHFFFAOYSA-N,2,1,0.4,31,194,451.853,2.791,5,0.362,0.65,0.995,0.48023610444794734,0.4167894592557056,0.3634346514974985,0.3703138921252827,0.40769352683160853
EOS-2-04582,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1,UHULWUJBMFXBLJ-UHFFFAOYSA-N,2,1,0.455,36,734,451.853,3.231,5,0.362,0.65,1.0,0.6782691385100404,0.5951785347131794,0.23162394626824756,0.2731478308546364,0.444554862586526
EOS-2-04583,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)nc1F,WSPYGYRNOYZDHJ-UHFFFAOYSA-N,2,1,0.432,31,773,451.853,2.791,5,0.362,0.63,1.0,0.6811904598725241,0.632864436981701,0.260263175930368,0.32831025974916045,0.4756570831334384
EOS-2-04584,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nc2F)n(C)n1,CEDLPTAOFZBGRA-UHFFFAOYSA-N,2,1,0.457,46,223,451.853,3.057,5,0.375,0.54,0.992,0.36530224110753207,0.46532965526694536,0.17342025906380645,0.22294565142896305,0.3067494517168118
EOS-2-04585,CCn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cc2)n1,FTGMQVHLNMGBBB-UHFFFAOYSA-N,2,1,0.524,36,447,451.853,3.231,5,0.387,0.65,1.0,0.5101946405318347,0.5378401069152217,0.25641662668768417,0.3220992392570763,0.4066376533479542
EOS-2-04586,Cc1nc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1cncn1C,PDRBKYZWQKREIV-UHFFFAOYSA-N,2,1,0.354,51,924,451.853,3.057,5,0.375,0.63,0.962,0.5051915564389007,0.4970529778630663,0.26357857583441846,0.26453807141388525,0.38259029538756767
EOS-2-04587,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)ncn1,UQOZZBBRSWVHIA-UHFFFAOYSA-N,2,1,0.394,31,194,451.853,2.791,5,0.387,0.55,0.905,0.5705743266397094,0.43010246042080735,0.3748115276540333,0.39262216434788566,0.4420276197656089
EOS-2-04588,Cn1cnc(-c2cc(F)c(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)n1,QXWLOQSZUNQGJC-UHFFFAOYSA-N,2,1,0.516,87,779,451.853,2.791,5,0.387,0.56,0.991,0.6414913302720855,0.5999246110616133,0.24231546843944898,0.2971523541909396,0.4452209409910219
EOS-2-04589,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)cn1,XGZOVAXJAYGJEH-UHFFFAOYSA-N,2,1,0.389,51,468,451.853,3.231,5,0.362,0.69,1.0,0.4753358234528134,0.49706154478788295,0.2707833596052361,0.27630045918717017,0.37987029675827566
EOS-2-04590,CCn1nnc(COc2cncc3nnc(-c4ccc(-c5cnccc5Cl)cc4F)n23)n1,CYIDTDAVVUKJTG-UHFFFAOYSA-N,2,1,0.429,36,404,451.853,3.231,5,0.387,0.75,1.0,0.4142707833596052,0.5702316496470426,0.19976355287505998,0.3477229113837297,0.38299722431635935
EOS-2-04591,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cncc4Cl)n23)nc1,GQOPNMHGQGCZIV-UHFFFAOYSA-N,2,1,0.455,65,559,451.853,2.791,5,0.387,0.58,1.0,0.5257521759989034,0.5148893153313686,0.3708964430128161,0.4177660886848057,0.45732600575697346
EOS-2-04592,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nn2)cn1,JFAORTNSQZKRDB-UHFFFAOYSA-N,2,1,0.43,53,44,451.853,2.791,5,0.362,0.62,0.931,0.567695839901309,0.487492289767665,0.38964944143650193,0.4047272291138373,0.4623912000548283
EOS-2-04593,Cn1nc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cc1-c1cccnc1,KINBPUHYCRCGMY-UHFFFAOYSA-N,2,1,0.398,95,569,451.853,2.791,5,0.362,0.68,1.0,0.4347971352203413,0.40266260023302036,0.16994208758823934,0.234887944623398,0.3105724419162498
EOS-2-04594,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cc1-c1cnccn1,NQUHSDJWMYOYSR-UHFFFAOYSA-N,2,1,0.412,31,569,451.853,2.791,5,0.362,0.59,1.0,0.45152833938729353,0.38831300116510176,0.24573367144129943,0.2941110958810225,0.3449215269686793
EOS-2-04595,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cc1,UAQMUXMGNKYARM-UHFFFAOYSA-N,2,1,0.489,37,475,451.853,2.791,5,0.362,0.62,1.0,0.6659584675484888,0.6474796107189363,0.25317832910698373,0.3035004454800905,0.46752921321362484
EOS-2-04596,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)n(C)n1,GFSQJBUPEDYBLR-UHFFFAOYSA-N,2,1,0.476,51,196,451.853,3.057,5,0.401,0.61,1.0,0.5961894318415462,0.6422366527311356,0.1928671783976424,0.23489651154821464,0.4165474436296347
EOS-2-04597,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(F)c(Cl)c5)n34)nn2)cn1,RQPWCNOBBPVNFT-UHFFFAOYSA-N,2,1,0.43,53,44,451.853,2.791,5,0.362,0.74,0.931,0.564757384689192,0.4970701117126996,0.3933075183332191,0.40473579603865395,0.4649677026934412
EOS-2-04598,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)n1,RHSRSGGAQUQAEJ-UHFFFAOYSA-N,2,1,0.527,84,672,451.853,2.791,5,0.387,0.7,1.0,0.6534935919402372,0.747806867246933,0.31891234322527584,0.4047443629634706,0.5312392913439792
EOS-2-04599,Cn1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1cnc(Cl)nc1,NDFZKOWOYHHFKV-UHFFFAOYSA-N,2,1,0.446,95,462,451.853,2.791,5,0.286,0.69,1.0,0.46542389143992874,0.41679802618052225,0.35217771228839695,0.3607360701802481,0.398783925022274
EOS-2-04600,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)n5)n34)ncn2)cn1,BOQIORCGVAEJCC-UHFFFAOYSA-N,2,1,0.398,46,395,451.853,3.231,5,0.362,0.69,0.995,0.3470803920224796,0.3500959495579467,0.3521862792132136,0.3509612089644301,0.3500809574395175
EOS-2-04601,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)nn2C)cn1,DTIRFOQACPPGTQ-UHFFFAOYSA-N,2,1,0.426,7,694,451.853,3.057,5,0.375,0.55,1.0,0.41212905215543827,0.3548762936056473,0.34440751147967924,0.3381108217394284,0.3623809197450483
EOS-2-04602,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)ncn1,OKNYEHZJRBWAFY-UHFFFAOYSA-N,2,1,0.365,46,296,451.853,3.231,5,0.387,0.62,0.971,0.5307980947159208,0.3977366184634364,0.40076930984853676,0.41777465560962235,0.436769669659379
EOS-2-04603,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(F)c1,JQUODEAFAGNSFX-UHFFFAOYSA-N,2,1,0.467,36,208,451.853,3.231,5,0.387,0.68,1.0,0.5677044068261257,0.6766928243437735,0.28599821807963816,0.3412634500719622,0.4679147248303749
EOS-2-04604,Cn1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1-c1ccnnc1,VMPIOTOKVZITGM-UHFFFAOYSA-N,2,1,0.432,95,569,451.853,2.791,5,0.362,0.6,0.988,0.437384346514975,0.39284490439311903,0.3933160852580358,0.4212442601603728,0.4111973990816256
EOS-2-04605,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)cc1F,XHKNELJYIHXXMW-UHFFFAOYSA-N,2,1,0.495,37,79,451.853,2.791,5,0.387,0.59,1.0,0.6102306216160647,0.6963967514221096,0.3521948461380303,0.43059077513535743,0.5223532485778904
EOS-2-04606,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1F,CFCBGCMRHSHRJR-UHFFFAOYSA-N,2,1,0.495,37,482,451.853,2.791,5,0.387,0.65,1.0,0.6782777054348571,0.7109433897608115,0.3261428277705435,0.39263073127270237,0.5269986635597287
EOS-2-04607,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nc1F,FZNSOWHGLMLPSU-UHFFFAOYSA-N,2,1,0.414,31,237,451.853,2.791,5,0.362,0.63,0.999,0.49264101158248236,0.49707867863751626,0.25318689603180045,0.310037009115208,0.3882358988417518
EOS-2-04608,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ncc(F)cn1,ANMYVJYDXTZRAN-UHFFFAOYSA-N,2,1,0.435,65,263,451.853,2.791,5,0.387,0.58,1.0,0.4853162908642314,0.4121376190802549,0.19977211979987664,0.2731563977794531,0.34259560688095403
EOS-2-04609,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1F,GDGPJYXXBYZGAA-UHFFFAOYSA-N,2,1,0.489,37,482,451.853,2.791,5,0.387,0.7,1.0,0.7112946336782948,0.7605801521485848,0.32978377081762733,0.40184874237543694,0.550876824754986
EOS-2-04610,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c(F)c2)n1,UCSAGEBMAPYHTL-UHFFFAOYSA-N,2,1,0.506,37,482,451.853,2.791,5,0.387,0.69,1.0,0.7238109108354465,0.7522616681516003,0.26027174285518473,0.3067901446096909,0.5107836166129806
EOS-2-04611,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1F,WGFGEQRBDFNKCZ-UHFFFAOYSA-N,2,1,0.588,37,669,451.853,2.791,5,0.362,0.73,1.0,0.7855613049139881,0.8369114522650949,0.34068089918442873,0.4212528270851895,0.5961016208621753
EOS-2-04612,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)n(C)n4)n23)c1F,PFUJTEONVDNMRR-UHFFFAOYSA-N,2,1,0.392,92,462,451.853,3.057,5,0.375,0.67,0.997,0.39699129600438626,0.3741861421424166,0.38965800836131864,0.35730073332876433,0.37953404495922144
EOS-2-04613,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1,POSNEIGYRZSJHK-UHFFFAOYSA-N,2,1,0.561,36,447,451.853,2.791,5,0.362,0.69,1.0,0.7883712562538551,0.7694126516345693,0.34845109999314644,0.4047529298882873,0.5777469844424645
EOS-2-04614,Cc1c(F)cc(-c2nnc3cncc(OCc4ncc(-c5cn(C)nn5)cn4)n23)cc1Cl,XWPREHLDIUMMJZ-UHFFFAOYSA-N,2,1,0.455,51,946,451.853,3.057,5,0.401,0.73,1.0,0.4284490439311905,0.5471180864916729,0.4260160372832568,0.42413988074840653,0.4564307621136317
EOS-2-04615,Cn1nncc1-c1cnnc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1,FMCRRDANDLFGTO-UHFFFAOYSA-N,2,1,0.473,53,785,451.853,2.791,5,0.387,0.62,1.0,0.5026471797683504,0.4479473648139264,0.39712836680145297,0.48354293742718113,0.4578164622027277
EOS-2-04616,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cnc(F)cn1,CCIFHRMWVAZENC-UHFFFAOYSA-N,2,1,0.435,31,569,451.853,2.791,5,0.362,0.59,1.0,0.487620793639915,0.402671167157837,0.2931858680008224,0.3349153587828113,0.3795982968953464
EOS-2-04617,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)nc1,OZBNUPHCEHVKMU-UHFFFAOYSA-N,2,1,0.43,31,773,451.853,2.791,5,0.362,0.58,1.0,0.5358183126584881,0.5148978822561853,0.3896665752861353,0.4115465012679049,0.46298231786717836
EOS-2-04618,Cn1cc(-c2cc(F)c(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cn2)cn1,UQJFEQTZRBRMCD-UHFFFAOYSA-N,2,1,0.441,65,468,451.853,2.791,5,0.362,0.64,1.0,0.5052001233637173,0.5286392296621205,0.2707919265300528,0.31298403125214175,0.40440382770200806
EOS-2-04619,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)nn1,QRYQPBJODQWJJR-UHFFFAOYSA-N,2,1,0.411,53,411,451.853,2.791,5,0.362,0.59,0.648,0.604730655883764,0.5101860736070181,0.35220341306284697,0.3831128778013844,0.4625582550887533
EOS-2-04620,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)nc(Cl)c4)n23)cn1,XLWNZHXHPQHZEE-UHFFFAOYSA-N,2,1,0.533,58,45,451.853,2.791,5,0.362,0.68,1.0,0.7448512781851826,0.6669265300527722,0.2968696456719896,0.32210780618189294,0.5076888150229593
EOS-2-04621,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)cn1,USPITYVQOHYQQO-UHFFFAOYSA-N,2,1,0.495,87,45,451.853,2.791,5,0.387,0.65,1.0,0.6720752518675897,0.6328730039065177,0.28958775957782196,0.3283188266739771,0.4807137105064766
EOS-2-04622,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)cn1,PLRVRIPFVNAZQL-UHFFFAOYSA-N,2,1,0.479,87,45,451.853,2.791,5,0.387,0.65,1.0,0.6689226235350558,0.6422452196559523,0.22411932012884656,0.2793759851963539,0.45366578712905214
EOS-2-04623,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc2F)n1,GYRYDDZNEWBKPX-UHFFFAOYSA-N,2,1,0.452,31,578,451.853,2.791,5,0.362,0.61,0.959,0.6271674319786169,0.5804862586525941,0.26358714275923517,0.2971609211157563,0.4421004386265506
EOS-2-04624,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cn2)n1,RUOSSRUNIWQNQT-UHFFFAOYSA-N,2,1,0.49,58,510,451.853,2.791,5,0.362,0.66,0.995,0.6961226098279761,0.7293023096429305,0.2531954629566171,0.28228873963402096,0.49022728051538617
EOS-2-04625,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)cn2)c1,JRXZIDZQVXNCGS-UHFFFAOYSA-N,2,1,0.454,65,823,451.853,2.791,5,0.362,0.67,1.0,0.7299705297786306,0.7478154341717497,0.2241278870536632,0.2524415735727503,0.48858885614419845
EOS-2-04626,Cn1nncc1-c1ncc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,KXZVIPALBNXMNJ-UHFFFAOYSA-N,2,1,0.65,65,360,451.853,2.791,5,0.387,0.69,1.0,0.6386728120074018,0.6142313755054486,0.3444160784044959,0.41155506819272153,0.502218833527517
EOS-2-04627,CCn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(F)c1,QPWRJOXWOQEYMC-UHFFFAOYSA-N,2,1,0.429,51,196,451.853,3.231,5,0.387,0.65,1.0,0.4515369063121102,0.5101946405318347,0.25320402988143376,0.31897231169899254,0.3834769721060928
EOS-2-04628,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cc1,BTCBCWXXMPQYPB-UHFFFAOYSA-N,2,1,0.576,36,447,451.853,2.791,5,0.362,0.69,1.0,0.7509166609553835,0.7736361455691865,0.28246007813035434,0.35096977588924677,0.5394956651360427
EOS-2-04629,Cn1c(Cl)ccc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c1,UTDICRFQYZJEOT-UHFFFAOYSA-N,2,1,0.684,43,11,451.864,5.307,5,0.363,0.78,1.0,0.9308906175039408,0.9129686107874717,0.9724916044136797,0.9719775889246796,0.947082105407443
EOS-2-04630,CCn1cc(-c2cncc(Cl)c2)nc1-c1cncc2nnc(-c3ccc(C(F)F)cc3)n12,LEIGIFBTNYHSRE-UHFFFAOYSA-N,2,1,0.349,74,315,451.868,5.328,5,0.361,0.64,0.999,0.2726766499897197,0.4211928586114728,0.842402851072579,0.8638287300390651,0.6000252724282091
EOS-2-04631,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)o4)n23)cnc1OC,HTTXWUHHTUXTQM-UHFFFAOYSA-N,2,1,0.423,92,905,451.874,3.904,5,0.367,0.68,1.0,0.4235487629360565,0.47411932012884656,0.37876944691933384,0.2763090261119868,0.3881866390240559
EOS-2-04632,Clc1cc(-c2ccnnc2)cc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)c1,CFVKYTHNGYQLAK-UHFFFAOYSA-N,2,1,0.329,69,484,451.877,5.224,6,0.362,0.63,1.0,0.2489034336234665,0.354884860530464,0.8360033582345281,0.8589370159687478,0.5746821670893016
EOS-2-04633,Clc1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)ccc1-c1cocn1,WJRMOSXWOZXIMV-UHFFFAOYSA-N,2,1,0.338,69,696,451.877,5.224,6,0.362,0.77,1.0,0.28612672195188815,0.4168065931053389,0.8342642724967446,0.8589455828935645,0.599035792611884
EOS-2-04634,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)cc1,QWUPHRCIDSTZMC-UHFFFAOYSA-N,2,1,0.397,69,152,451.877,5.224,6,0.362,0.76,1.0,0.2889538071413885,0.43488280446850797,0.7624220409841683,0.8108765677472415,0.5742838050853266
EOS-2-04635,Clc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)no2)cc1,IGXCNPFYARDUFZ-UHFFFAOYSA-N,2,1,0.316,30,737,451.877,5.224,6,0.362,0.8,1.0,0.17392570762798987,0.35981940922486466,0.5347046124323213,0.6874614488383249,0.43897779453087515
EOS-2-04636,Clc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)o1,QPKIYLMQCSARJY-UHFFFAOYSA-N,2,1,0.368,30,93,451.877,5.224,6,0.362,0.81,0.999,0.20490370776506064,0.41681516003015556,0.5311836063326708,0.6755191556438901,0.45710540744294426
EOS-2-04637,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)o2)cc1,OIIZZLNUQORWSB-UHFFFAOYSA-N,2,1,0.392,69,950,451.877,5.224,6,0.362,0.78,1.0,0.23536769241313138,0.4918871221986156,0.6623860598999384,0.7599376327873346,0.5373946268247549
EOS-2-04638,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)cn1,GKTHGRXTRBSCLE-UHFFFAOYSA-N,2,1,0.394,93,651,451.877,5.224,6,0.339,0.84,1.0,0.26478651223356864,0.45216229182372697,0.6065896785689808,0.7179340004112124,0.5103681207593722
EOS-2-04639,Clc1cc(-c2cccnc2)ccc1-c1nnc2cncc(-c3ccc(-c4ccon4)nc3)n12,BMXOFUXDNPAVFA-UHFFFAOYSA-N,2,1,0.347,32,20,451.877,5.224,6,0.362,0.73,1.0,0.22699780686724694,0.35489342745528063,0.7534096360770338,0.8043999725858406,0.5349252107463505
EOS-2-04640,Clc1nccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccccc6)on5)n34)cc2)n1,DVVNFZUVRILHOY-UHFFFAOYSA-N,2,1,0.351,93,651,451.877,5.224,6,0.339,0.76,1.0,0.23803200603111507,0.2960986224384895,0.6536392296621205,0.7068912343225275,0.47366527311356316
EOS-2-04641,Clc1ccc(-c2nocc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,JTKSDJJCCRVIFU-UHFFFAOYSA-N,2,1,0.342,69,484,451.877,5.224,6,0.339,0.68,1.0,0.24612774998286616,0.3112363785895415,0.6947005003084092,0.7521502981289836,0.5010537317524502
EOS-2-04642,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)o2)c1,MOVMYUWPVKVPDF-UHFFFAOYSA-N,2,1,0.333,30,737,451.877,5.224,6,0.362,0.81,0.998,0.10849153587828113,0.3010074703584401,0.5413696799396889,0.690168597080392,0.4102593208142006
EOS-2-04643,Clc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)o1,SYULPXCHIJUNJW-UHFFFAOYSA-N,2,1,0.351,30,737,451.877,5.224,6,0.362,0.79,0.997,0.1854910561304914,0.3453841409087794,0.5245185388253033,0.6816445068878075,0.43425956068809546
EOS-2-04644,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nc1,OPFWJWWGYGVDMN-UHFFFAOYSA-N,2,1,0.394,93,479,451.877,5.224,6,0.362,0.76,1.0,0.27508395586320333,0.3928534713179357,0.7338427797957645,0.7957645123706394,0.5493861798368858
EOS-2-04645,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)n1,PVNQDGWDCARKRQ-UHFFFAOYSA-N,2,1,0.4,93,651,451.877,5.224,6,0.339,0.86,0.997,0.2861352888767048,0.3788893838667672,0.52452710575012,0.6639880748406553,0.46338496333356183
EOS-2-04646,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)o2)c1,GRIQSNWSYNURFR-UHFFFAOYSA-N,2,1,0.377,30,641,451.877,5.224,6,0.362,0.85,1.0,0.12167603317113289,0.37889795079158384,0.5515643204715236,0.6845915290247413,0.4341824583647454
EOS-2-04647,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)o1,IFRWLLTVBLHMSA-UHFFFAOYSA-N,2,1,0.361,32,818,451.877,5.224,6,0.362,0.72,1.0,0.2647950791583853,0.4168237269549722,0.7076451237063943,0.7393341786032486,0.5321495271057501
EOS-2-04648,Clc1ccc(-c2ncccc2-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)cc1,LLKBOYYMOARREV-UHFFFAOYSA-N,2,1,0.351,93,641,451.877,5.224,6,0.362,0.73,1.0,0.2131450894386951,0.4026797340826537,0.49311219244739907,0.6438301007470358,0.4381917791789459
EOS-2-04649,Clc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)n1,NHJVPFKFDKWZPB-UHFFFAOYSA-N,2,1,0.391,69,30,451.877,5.224,6,0.362,0.72,1.0,0.2834538414090878,0.4026883010074704,0.7695411555068192,0.7935114111438558,0.5622986772668083
EOS-2-04650,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)nc1,APDOAKJQFNWVOS-UHFFFAOYSA-N,2,1,0.355,30,737,451.877,5.224,6,0.362,0.81,1.0,0.16030429716948805,0.3305290932766774,0.5413782468645055,0.684600095949558,0.42920293331505727
EOS-2-04651,Clc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)ccc1-c1ccccn1,HPPBNMKTYHDMOJ-UHFFFAOYSA-N,2,1,0.354,69,152,451.877,5.224,6,0.362,0.73,1.0,0.28072099239257076,0.40269686793228704,0.7511308340758002,0.7935199780686725,0.5570171681173326
EOS-2-04652,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)cc1,BVPQOISLWSEEFD-UHFFFAOYSA-N,2,1,0.387,69,641,451.877,5.224,6,0.362,0.79,1.0,0.24077342197244878,0.49708724556233297,0.6065982454937976,0.7099067918579947,0.5135914262216434
EOS-2-04653,Clc1cc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)ccn1,MSACSAVQNGWSER-UHFFFAOYSA-N,2,1,0.329,69,299,451.877,5.224,6,0.339,0.7,0.999,0.26728805428003566,0.35010451648276336,0.7258755397162634,0.7700894386950861,0.5283393872935371
EOS-2-04654,Clc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccno6)cn5)n34)cc2)c1,BWYFLIUAGCDLQT-UHFFFAOYSA-N,2,1,0.347,41,818,451.877,5.224,6,0.362,0.77,1.0,0.28346240833390446,0.33536083887327806,0.7834452744842711,0.819323555616476,0.5553980193269824
EOS-2-04655,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)c1,AZZMGTMXULUTJK-UHFFFAOYSA-N,2,1,0.38,93,641,451.877,5.224,6,0.362,0.79,1.0,0.1522513878418203,0.3928620382427524,0.590492426838462,0.6986412857240765,0.4585617846617778
EOS-2-04656,Clc1cc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)ccc1-c1cccnn1,OISMDOSKWBJDBI-UHFFFAOYSA-N,2,1,0.342,69,152,451.877,5.224,6,0.362,0.77,1.0,0.2917294907819889,0.37419470906723323,0.7576759646357344,0.7910013021725721,0.5536503666643822
EOS-2-04657,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,DNPPEJHZTNVPRM-UHFFFAOYSA-N,2,1,0.333,64,885,451.877,5.224,6,0.362,0.75,1.0,0.32256185319717634,0.39774518538825304,0.6595418408608046,0.7546518401754506,0.5336251799054211
EOS-2-04658,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,AFZXKMLRCBDBNZ-UHFFFAOYSA-N,2,1,0.373,93,74,451.877,5.224,6,0.362,0.7,1.0,0.2997395654855733,0.42554485641834006,0.7386059899938319,0.8086234665204578,0.5681284696045508
EOS-2-04659,Clc1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(-c5nnco5)cc4)n23)cc1,HWRUBBWTQSWPLU-UHFFFAOYSA-N,2,1,0.417,69,152,451.877,5.224,6,0.362,0.64,1.0,0.29719518881502294,0.5518384620656569,0.7153296552669454,0.7796929614145707,0.5860140668905489
EOS-2-04660,Clc1ccccc1-c1nnccc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,HJAQUAVHEALKJI-UHFFFAOYSA-N,2,1,0.359,69,38,451.877,5.224,6,0.362,0.59,1.0,0.2489120005482832,0.3977537523130697,0.7232626276471797,0.8044085395106573,0.5435842300047975
EOS-2-04661,Clc1ccnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1,CDFWIOVGUAYKAS-UHFFFAOYSA-N,2,1,0.308,69,299,451.877,5.224,6,0.362,0.65,1.0,0.25940648344870126,0.3644027140017819,0.6812932629703242,0.7496573230073333,0.5136899458570352
EOS-2-04662,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cn5)n34)cc2)n1,DWIOKVGWZOSNFF-UHFFFAOYSA-N,2,1,0.351,32,479,451.877,5.224,6,0.339,0.75,1.0,0.2672966212048523,0.3644112809265986,0.6675347817147557,0.7039956137344938,0.500809574395175
EOS-2-04663,Clc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)o1,QLNGQWFMOTYCRV-UHFFFAOYSA-N,2,1,0.359,93,641,451.877,5.224,6,0.362,0.8,1.0,0.27509252278802,0.4348913713933247,0.5716023576177095,0.6901771640052087,0.4929408539510657
EOS-2-04664,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)o2)cc1,OMGWZVMFHRJHEX-UHFFFAOYSA-N,2,1,0.355,30,641,451.877,5.224,6,0.362,0.81,0.999,0.20776506065382772,0.469801590021246,0.5681670207662257,0.6959512713316428,0.4854212356932356
EOS-2-04665,Clc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)c2)cnn1,KRFCITIMIHCRCP-UHFFFAOYSA-N,2,1,0.329,69,152,451.877,5.224,6,0.362,0.71,1.0,0.27268521691453634,0.3163422657802755,0.7600404358851347,0.7888681378932219,0.534484014118292
EOS-2-04666,Clc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)c1,DKCJFDZFKWASBI-UHFFFAOYSA-N,2,1,0.385,69,152,451.877,5.224,6,0.362,0.71,1.0,0.2212579672400795,0.3836697279144678,0.7556456034541841,0.8022839421561236,0.5407143101912137
EOS-2-04667,Clc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3cnc(-c4ccccc4)nc3)n12,QYANVTWLAHRDFK-UHFFFAOYSA-N,2,1,0.37,41,553,451.877,5.224,6,0.362,0.72,1.0,0.3178072099239257,0.39287060516756905,0.7001062298677266,0.7572818860941677,0.5420164827633472
EOS-2-04668,Clc1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)ncc1-c1ccon1,XWVUVLPGXNSQHI-UHFFFAOYSA-N,2,1,0.351,32,479,451.877,5.224,6,0.362,0.71,1.0,0.24892056747309985,0.33053766020149405,0.707653690631211,0.762482009457885,0.5123984819409224
EOS-2-04669,CCn1cc(CCOc2cncc3nnc(-c4cc(-c5ncno5)cnc4Cl)n23)c(C)n1,OOSXPTXNOOPIFB-UHFFFAOYSA-N,2,1,0.438,65,986,451.878,3.036,5,0.343,0.6,1.0,0.2241364539784799,0.3163508327050922,0.05595915290247413,0.06229867726680831,0.1646862792132136
EOS-2-04670,Clc1ccc(-c2cccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)c2)cn1,AOFGMVYNRPMPRT-UHFFFAOYSA-N,2,1,0.317,38,154,451.881,4.354,6,0.396,0.78,1.0,0.2516448495648002,0.31635939962990883,0.6003529573024468,0.658111164416421,0.4566170927283942
EOS-2-04671,Clc1cccc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)cn2)c1,ZCWJDAMJMQCJPV-UHFFFAOYSA-N,2,1,0.281,30,748,451.881,4.149,6,0.397,0.77,0.997,0.001884723459666918,0.07574874922897677,0.3971369337262696,0.5813172503598109,0.26402191419368104
EOS-2-04672,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)cn1,OEBIGEPJQJTISD-UHFFFAOYSA-N,2,1,0.31,38,620,451.881,4.149,6,0.371,0.71,1.0,0.00954355424576794,0.14212528270851896,0.5180505105887191,0.6054417106435473,0.31879026454663834
EOS-2-04673,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)cc1,YDGMIBNCNJPBIJ-UHFFFAOYSA-N,2,1,0.346,3,783,451.881,4.149,6,0.397,0.65,1.0,0.04411966280583922,0.23963402097183195,0.5000685353985334,0.6118583373312316,0.34892013912685904
EOS-2-04674,Clc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)n1,JCIFLFUMZKCJJG-UHFFFAOYSA-N,2,1,0.4,93,774,451.881,4.149,6,0.397,0.71,1.0,0.008198547049551093,0.14975841272016996,0.4333064903022411,0.5873055308066616,0.29464224521965593
EOS-2-04675,Clc1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1-c1cc[nH]n1,YFCDUHHEPXMJJV-UHFFFAOYSA-N,2,1,0.325,38,608,451.881,4.354,6,0.424,0.68,1.0,0.2807295593173874,0.38832156808991847,0.46203995613734494,0.5292046467000205,0.41507393256116787
EOS-2-04676,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nn2)cc1,XHTPFVMVZBZCRB-UHFFFAOYSA-N,2,1,0.359,3,50,451.881,4.149,6,0.397,0.69,1.0,0.019335549311219245,0.18191008155712426,0.5647659516140087,0.6610753204029881,0.3567717257213351
EOS-2-04677,Clc1ccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)nn2)cc1,PVOYPSCOKJWWFF-UHFFFAOYSA-N,2,1,0.314,10,37,451.881,4.149,6,0.397,0.62,0.999,0.007658830786101021,0.17784935919402373,0.38967514221095195,0.5292132136248372,0.27609913645397843
EOS-2-04678,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nn2)c1,ZVDGIYBEYQCKKI-UHFFFAOYSA-N,2,1,0.337,3,115,451.881,4.149,6,0.397,0.73,1.0,0.02557227057775341,0.15369919813583716,0.48660989651154823,0.5873140977314784,0.3132988657391543
EOS-2-04679,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)n1,QHHMNQFPCQBTSZ-UHFFFAOYSA-N,2,1,0.325,42,150,451.881,4.149,6,0.371,0.72,1.0,0.02232540607223631,0.14976697964498664,0.4757898704680968,0.5255894044273868,0.2933679151531766
EOS-2-04680,Clc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)nn2)c1,DXSMQIHQWLGMFM-UHFFFAOYSA-N,2,1,0.345,10,298,451.881,4.149,6,0.397,0.76,1.0,0.02233397299705298,0.12448598451099993,0.4079398259200877,0.5521897059831403,0.27673737235282025
EOS-2-04681,Clc1cncc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)n2)c1,IDVUHTJVUZCAIV-UHFFFAOYSA-N,2,1,0.298,42,289,451.881,4.149,6,0.397,0.76,1.0,0.034002124597354536,0.18629634706325818,0.4965046946747995,0.6118669042560483,0.3321675176478651
EOS-2-04682,Clc1ccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)cn2)cn1,SYXYOKXBRWCWKC-UHFFFAOYSA-N,2,1,0.279,10,935,451.881,4.149,6,0.371,0.67,0.999,0.011719553149201563,0.17357446371050647,0.4515626070865602,0.5255979713522034,0.29061364882461793
EOS-2-04683,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)n2)cc1,FTSZKEQXZXSCHI-UHFFFAOYSA-N,2,1,0.354,3,158,451.881,4.149,6,0.397,0.77,1.0,0.0279967103008704,0.23402268521691455,0.4370416695223083,0.6022633815365637,0.32533111164416423
EOS-2-04684,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cn4)n23)cc1,MYYYWWGJPOBGGX-UHFFFAOYSA-N,2,1,0.354,93,74,451.881,4.354,6,0.424,0.75,1.0,0.2807381262422041,0.44795593173874304,0.6184120348159825,0.7283256802138305,0.5188579432526901
EOS-2-04685,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)nn1,FMSGXIWJDZDGPG-UHFFFAOYSA-N,2,1,0.329,9,537,451.881,4.354,6,0.424,0.7,1.0,0.2594150503735179,0.31124494551435816,0.5969690219998629,0.6438386676718525,0.4528669213898979
EOS-2-04686,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)nc1,RSUWJIODRIGQDY-UHFFFAOYSA-N,2,1,0.338,9,834,451.881,4.354,6,0.424,0.64,1.0,0.27013227331916934,0.3163679665547255,0.5515728873963403,0.5935679528476459,0.43291027002947025
EOS-2-04687,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,SOLOENDOZPXNLS-UHFFFAOYSA-N,2,1,0.295,9,7,451.881,4.354,6,0.396,0.71,1.0,0.25165341648961687,0.33054622712631077,0.6184206017407992,0.6581197313412378,0.46468499417449116
EOS-2-04688,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccnc(-c6cnccn6)c5)n34)cn2)c1,UMGVXSQTEXOEAV-UHFFFAOYSA-N,2,1,0.314,86,673,451.881,4.149,6,0.397,0.72,1.0,0.009552121170584607,0.104961962853814,0.5716109245425263,0.6438472345966691,0.33249306079089846
EOS-2-04689,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)[nH]2)c1,XEOLHWJPAKBKMM-UHFFFAOYSA-N,2,1,0.357,32,407,451.881,4.354,6,0.424,0.67,0.969,0.15225995476663698,0.30610479062435747,0.36344321842231514,0.522231169899253,0.33600978342814064
EOS-2-04690,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)cn2)cc1,DGGVWFHSFBHHPI-UHFFFAOYSA-N,2,1,0.324,10,673,451.881,4.149,6,0.397,0.67,0.698,0.024484271126036596,0.17358303063532315,0.50007710232335,0.5780275512302104,0.31904298882873006
EOS-2-04691,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nn2)cc1,BZEAPKOPNVJEGI-UHFFFAOYSA-N,2,1,0.346,3,783,451.881,4.149,6,0.397,0.75,1.0,0.01934411623603591,0.18630491398807483,0.6243489137139332,0.715312521417312,0.386327616338839
EOS-2-04692,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cc1,IAXFEBUDXCKAPG-UHFFFAOYSA-N,2,1,0.359,3,289,451.881,4.149,6,0.397,0.68,1.0,0.04412822973065588,0.2293708450414639,0.48989959564114866,0.5964121718867795,0.339952710575012
EOS-2-04693,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nn2)cc1,HKOZFIWIVVXCDY-UHFFFAOYSA-N,2,1,0.347,10,705,451.881,4.149,6,0.397,0.74,0.999,0.0157288739634021,0.15741724350627098,0.5280395449249538,0.6381073949695018,0.33482326434103216
EOS-2-04694,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,DZAFVNCAVHWQIC-UHFFFAOYSA-N,2,1,0.31,3,158,451.881,4.149,6,0.397,0.75,1.0,0.08395586320334453,0.25472037557398397,0.322519018573093,0.49865499280378317,0.2899625625385512
EOS-2-04695,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cc1,SQIMLNOOROQDCE-UHFFFAOYSA-N,2,1,0.364,3,50,451.881,4.149,6,0.397,0.64,1.0,0.03975053114933863,0.2340312521417312,0.5106829552463847,0.6118754711808649,0.3490850524295799
EOS-2-04696,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1,GIUHMLNTFLNGMN-UHFFFAOYSA-N,2,1,0.326,3,158,451.881,4.149,6,0.397,0.77,1.0,0.03152628332533754,0.2189448975395792,0.3595795353299979,0.5292217805496539,0.28481812418614216
EOS-2-04697,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cc1,IQYKDDFZXZRJPS-UHFFFAOYSA-N,2,1,0.317,30,158,451.881,4.149,6,0.397,0.77,1.0,0.02800527722568707,0.20900726475224454,0.34068946610924544,0.5256065382770201,0.2758271365910493
EOS-2-04698,Clc1cccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nn2)c1,GVDKHVXAXDLLPE-UHFFFAOYSA-N,2,1,0.321,30,298,451.881,4.149,6,0.397,0.76,0.999,0.022342539921869645,0.12799842368583372,0.422323692687273,0.5903639229662121,0.29075714481529713
EOS-2-04699,Clc1ccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nn2)nc1,SYNJIMOIEFMPPX-UHFFFAOYSA-N,2,1,0.356,30,371,451.881,4.149,6,0.397,0.57,1.0,0.02033787951476938,0.17785792611884038,0.3406980330340621,0.4956565691179494,0.2586376019464053
EOS-2-04700,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4)n23)cc1,XFFBLHYNVFXJNU-UHFFFAOYSA-N,2,1,0.354,9,220,451.881,4.354,6,0.424,0.75,1.0,0.17393427455280652,0.37890651771640055,0.6003615242272634,0.7257384689191968,0.46973519635391686
EOS-2-04701,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nn2)c1,FQAQLDZLGZOKLQ-UHFFFAOYSA-N,2,1,0.364,10,705,451.881,4.149,6,0.397,0.76,1.0,0.014880748406551984,0.14584332807895278,0.5143667329175519,0.6290435885134672,0.32603359947913096
EOS-2-04702,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn[nH]c6)cn5)n34)cn2)cn1,VKXIHFROYKCTSL-UHFFFAOYSA-N,2,1,0.299,32,392,451.881,4.354,6,0.396,0.69,0.999,0.2323264341032143,0.34028682064286203,0.6567661572202043,0.6932355561647591,0.4806537420327599
EOS-2-04703,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)nc1,DEEHGKMICXGTKE-UHFFFAOYSA-N,2,1,0.321,38,154,451.881,4.354,6,0.424,0.67,1.0,0.2889623740662052,0.3789150846412172,0.5647745185388253,0.6290521554382839,0.46542603317113285
EOS-2-04704,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cn2)c1,IRBLSJFYQCGOFT-UHFFFAOYSA-N,2,1,0.358,32,154,451.881,4.354,6,0.424,0.71,1.0,0.1937410047289425,0.35490199438009734,0.5482574874922898,0.6381159618943184,0.433754112123912
EOS-2-04705,Clc1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)ncc1-c1nc[nH]n1,GCECWUDMLUUJNV-UHFFFAOYSA-N,2,1,0.325,42,154,451.881,4.354,6,0.424,0.63,1.0,0.25400075388938387,0.37892365156603386,0.5969775889246796,0.6755277225687067,0.47635742923720104
EOS-2-04706,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)[nH]2)n1,ICFGBOIIXGAGCR-UHFFFAOYSA-N,2,1,0.329,30,945,451.881,4.354,6,0.396,0.65,0.462,0.1603128640943047,0.29610718936330616,0.3859827976149681,0.5328370228222877,0.3438099684737167
EOS-2-04707,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c1,WFXTWWSRYWYJSO-UHFFFAOYSA-N,2,1,0.31,64,144,451.881,4.149,6,0.397,0.78,0.997,0.003966486190117195,0.08611472825714482,0.3189209101500925,0.502373038174217,0.22784379069289287
EOS-2-04708,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc1,CVZJTPSDYDSUSG-UHFFFAOYSA-N,2,1,0.3,30,158,451.881,4.149,6,0.397,0.78,0.999,0.01935268316085258,0.1690939620313892,0.3337416900829278,0.5328455897471044,0.2637584812555685
EOS-2-04709,Clc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)n1,ORKBZXCNUCRNIP-UHFFFAOYSA-N,2,1,0.313,42,150,451.881,4.149,6,0.371,0.75,1.0,0.01172812007401823,0.13121958741690082,0.4260246042080735,0.5023816050990336,0.26783847919950654
EOS-2-04710,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nn2)cc1,WHGHNJDVOFADOQ-UHFFFAOYSA-N,2,1,0.367,3,115,451.881,4.149,6,0.397,0.75,1.0,0.026857309300253582,0.1735915975601398,0.5000856692481667,0.5964207388115962,0.32423882873003906
EOS-2-04711,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)n1,CPFPWEISDYYNRP-UHFFFAOYSA-N,2,1,0.318,30,158,451.881,4.149,6,0.397,0.65,0.996,0.026865876225070248,0.18631348091289152,0.22784593242409704,0.4338119388664245,0.21870930710712083
EOS-2-04712,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,QPOAVNADJNRLQN-UHFFFAOYSA-N,2,1,0.346,3,158,451.881,4.149,6,0.397,0.78,1.0,0.04118977451853883,0.2396425878966486,0.3787780138441505,0.5427917894592557,0.3006005414296484
EOS-2-04713,Fc1cc(-c2nnc3cncc(-c4ccc5c(Cl)cncc5c4)n23)ccc1-c1ccccc1,JNJLNZRKPXQZAZ-UHFFFAOYSA-N,2,1,0.341,93,107,451.892,6.466,6,0.309,0.74,1.0,0.4515454732369269,0.6280241244602838,0.9654581591391954,0.9819580563360976,0.756746453293126
EOS-2-04714,OCc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)cn1,VLQSTRKRMYYWGN-UHFFFAOYSA-N,2,1,0.456,55,282,451.899,3.43,5,0.418,0.74,1.0,0.5257607429237201,0.6964053183469262,0.3859913645397848,0.3831214447262011,0.49781971763415805
EOS-2-04715,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cnns1,LGFUTRXKALBFHV-UHFFFAOYSA-N,2,1,0.488,16,83,451.899,3.946,5,0.358,0.61,1.0,0.5732043725584264,0.6422537865807689,0.5778733465835104,0.5125162771571516,0.5764619457199643
EOS-2-04716,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cnsc1,NCEGFKKKYKQSOU-UHFFFAOYSA-N,2,1,0.462,16,83,451.899,3.946,5,0.382,0.56,1.0,0.5562589952710575,0.6191059557261326,0.4899081625659653,0.43382050579124115,0.5247734048385991
EOS-2-04717,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)ccc1-c1csc(C)n1,AYFRVOLWSYPMKX-UHFFFAOYSA-N,2,1,0.354,49,501,451.899,4.468,5,0.361,0.61,1.0,0.5961979987663628,0.5518470289904736,0.29319443492563907,0.24372901103419917,0.42124211842916864
EOS-2-04718,OCc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,KLXZWYVALZSVIH-UHFFFAOYSA-N,2,1,0.462,7,85,451.899,3.43,5,0.418,0.6,1.0,0.48024467137276405,0.5804948255774107,0.4552378178329107,0.4429785484202591,0.4897389658008361
EOS-2-04719,Clc1ccc(CSc2noc(COc3cncc4nnc(-c5ccccn5)n34)n2)cc1,WTVVDZSHOSJGGZ-UHFFFAOYSA-N,2,1,0.5,46,348,451.899,4.094,5,0.338,0.81,1.0,0.43480570214515796,0.465338222191762,0.18944897539579192,0.27316496470426976,0.34068946610924544
EOS-2-04720,COc1nccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)c(Cl)c2)n1,RBBQFQSRMOFFOO-UHFFFAOYSA-N,2,1,0.461,16,256,451.899,3.946,5,0.382,0.63,1.0,0.6132033445274484,0.6142399424302653,0.3522119799876636,0.3189808786238092,0.47465903639229656
EOS-2-04721,OCc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)s1,SJWCPXWXTFJUMB-UHFFFAOYSA-N,2,1,0.462,46,160,451.899,3.43,5,0.418,0.69,1.0,0.432586868617641,0.45661709272839424,0.3337502570077445,0.3540538688232472,0.39425202179425667
EOS-2-04722,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)s4)n23)ccc1Cl,AEGZEKZQVMWQMX-UHFFFAOYSA-N,2,1,0.494,16,67,451.899,3.946,5,0.382,0.72,1.0,0.7509252278802001,0.7779110410527037,0.44792166403947636,0.4081625659653211,0.5962301247344253
EOS-2-04723,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)s1,PBPWYZASHMKVDK-UHFFFAOYSA-N,2,1,0.467,55,939,451.899,3.43,5,0.418,0.68,1.0,0.5562675621958741,0.514906449181002,0.382273319169351,0.4018573093002536,0.4638261599616202
EOS-2-04724,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nccs1,JDUHRMNGIDTKTL-UHFFFAOYSA-N,2,1,0.413,49,501,451.899,3.946,5,0.382,0.69,0.999,0.5873312315811117,0.5240730587348366,0.2860067850044548,0.2616253169762182,0.4147590980741553
EOS-2-04725,COc1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1nccs1,LPDXMUXVRGHTFW-UHFFFAOYSA-N,2,1,0.489,49,501,451.899,3.946,5,0.382,0.66,0.998,0.4420190528407923,0.5102032074566514,0.2457422383661161,0.23490507847303133,0.3582173942841478
EOS-2-04726,OCc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,DRWJKEQCXGKHTJ-UHFFFAOYSA-N,2,1,0.477,2,419,451.899,3.43,5,0.418,0.72,1.0,0.48762936056473166,0.5905780960866287,0.44442635871427594,0.4397488177643753,0.4905956582825029
EOS-2-04727,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)ccc1-c1nccs1,OJWMVQRQIHJIOR-UHFFFAOYSA-N,2,1,0.489,4,61,451.899,3.946,5,0.358,0.69,1.0,0.6160389966417654,0.6718696456719896,0.42603317113289013,0.34773147830854634,0.5154183229387979
EOS-2-04728,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cscn1,DWCCJAOSSRKWFB-UHFFFAOYSA-N,2,1,0.484,72,224,451.899,3.946,5,0.382,0.7,1.0,0.6214704269755329,0.6328815708313343,0.42943424028510724,0.3737920636008498,0.514394575423206
EOS-2-04729,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ccn2)cn1,XLDRFHZAYURODA-UHFFFAOYSA-N,2,1,0.483,7,99,451.899,3.43,5,0.418,0.63,1.0,0.5308066616407374,0.5331625659653211,0.45857891851141114,0.43682749640189156,0.48984391062984034
EOS-2-04730,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)ccc1=O,FPWJVXGXLGONOM-UHFFFAOYSA-N,2,1,0.451,4,617,451.899,3.241,5,0.404,0.65,0.988,0.42355732986087313,0.5014820779932835,0.2674422589267357,0.29411966280583923,0.3716503323966829
EOS-2-04731,COc1cc(-c2nnc3cncc(OCc4nnc(-c5cccnc5)s4)n23)ccc1Cl,QMGCIWUZDLVLLN-UHFFFAOYSA-N,2,1,0.511,4,67,451.899,3.946,5,0.382,0.73,1.0,0.5677129737509423,0.7478240010965663,0.307638270166541,0.32516619834144334,0.48708536083887327
EOS-2-04732,COc1cc(-c2nnc3cncc(OCc4csc(-c5cnccn5)n4)n23)ccc1Cl,QVZSLTSDWJGFQB-UHFFFAOYSA-N,2,1,0.511,4,67,451.899,3.946,5,0.382,0.72,1.0,0.6386813789322184,0.7650777876773354,0.3634517853471318,0.33811938866424507,0.5263325851552326
EOS-2-04733,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cc1=O,WOJZGSCDZXOHNQ-UHFFFAOYSA-N,2,1,0.415,46,122,451.899,3.241,5,0.404,0.69,1.0,0.33522376807621135,0.3112535124391748,0.3444246453293126,0.36731546843944896,0.33955434857103695
EOS-2-04734,OCc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)s1,FVSPEIBMVLAPEC-UHFFFAOYSA-N,2,1,0.384,46,565,451.899,3.43,5,0.391,0.71,1.0,0.4491381673634432,0.44796449866355975,0.3971455006510863,0.3956377218833528,0.4224714721403605
EOS-2-04735,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)s5)n34)cn2)cn1,TVNTYYWNIIXXRT-UHFFFAOYSA-N,2,1,0.483,55,390,451.899,3.946,5,0.382,0.66,1.0,0.4876379274895484,0.6328901377561511,0.32252758549790966,0.2703892810636694,0.42836123295181966
EOS-2-04736,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1nncs1,WMZGMFNYMIVUOJ-UHFFFAOYSA-N,2,1,0.54,72,224,451.899,3.946,5,0.382,0.6,1.0,0.5334452744842711,0.6142485093550819,0.4552463847577274,0.41466486190117197,0.5044012576245631
EOS-2-04737,O=c1s[nH]nc1-c1cccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,UYLZKXBFGNINRV-UHFFFAOYSA-N,2,1,0.474,15,848,451.899,3.273,5,0.394,0.54,1.0,0.5202522102666027,0.5059968473716675,0.23163251319306422,0.3100455760400247,0.3919817867178398
EOS-2-04738,COc1cc(-c2nnc3cncc(OCc4nnc(-c5ccccn5)s4)n23)ccc1Cl,BJPXBADAOBDYRP-UHFFFAOYSA-N,2,1,0.517,4,67,451.899,3.946,5,0.382,0.74,1.0,0.5513758481255568,0.7201956685628127,0.23508498389418134,0.26766499897196905,0.44358037488863
EOS-2-04739,COc1cc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nc4)n23)ccc1Cl,LJSCKWYSZIHZBH-UHFFFAOYSA-N,2,1,0.517,16,389,451.899,3.946,5,0.382,0.76,1.0,0.6132119114522651,0.6914707696525255,0.5381142485093551,0.48947981632513193,0.5830691864848194
EOS-2-04740,OCc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cs1,KQIPEFFIMLRNCS-UHFFFAOYSA-N,2,1,0.467,55,283,451.899,3.43,5,0.418,0.73,1.0,0.5489257076279899,0.6093996299088479,0.35958810225481463,0.38313001165101773,0.4752608628606675
EOS-2-04741,COc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1nccs1,DYSLONURQAEFFA-UHFFFAOYSA-N,2,1,0.462,49,122,451.899,3.946,5,0.358,0.69,1.0,0.4677712288396957,0.510211774381468,0.21709444177917894,0.1996778836268933,0.348688832156809
EOS-2-04742,COc1cc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)ccc1Cl,CLBXALQWEJBJDP-UHFFFAOYSA-N,2,1,0.547,4,67,451.899,3.946,5,0.382,0.73,1.0,0.47534439037763004,0.6669350969775889,0.5482660544171064,0.4956651360427661,0.5465526694537729
EOS-2-04743,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cscn5)n4)n23)ccc1Cl,GSTTVDLMLTXADH-UHFFFAOYSA-N,2,1,0.484,24,67,451.899,3.946,5,0.382,0.68,1.0,0.6503752313069701,0.765086354602152,0.45157117401137686,0.4146734288259886,0.5704265471866219
EOS-2-04744,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cnncn1,PFGWPMXSVMDAOQ-UHFFFAOYSA-N,2,1,0.474,4,224,451.899,3.946,5,0.382,0.66,1.0,0.7267579329723802,0.7063686519087109,0.5515814543211569,0.477409019258447,0.6155292646151738
EOS-2-04745,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)s1,RYZZEGPHKNIVAG-UHFFFAOYSA-N,2,1,0.506,24,786,451.899,3.946,5,0.382,0.63,1.0,0.490096634911932,0.6422623535055856,0.31138201631142487,0.27631759303680353,0.4300146494414365
EOS-2-04746,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)s1,LAQNIFPVTFHJCM-UHFFFAOYSA-N,2,1,0.5,53,602,451.903,3.078,5,0.383,0.66,1.0,0.5677215406757591,0.7605887190734014,0.04512199300938935,0.07085703515865945,0.36107232197930234
EOS-2-04747,N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)s1,LURFWIJSKQFWTM-UHFFFAOYSA-N,2,1,0.461,15,846,451.903,2.787,5,0.405,0.58,1.0,0.5285278596395038,0.4970958124871496,0.0972174628195463,0.12783565211431705,0.3126691967651292
EOS-2-04748,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)cn2)s1,RNAGHQGUODGPSN-UHFFFAOYSA-N,2,1,0.495,20,779,451.903,3.078,5,0.383,0.66,0.898,0.5410184360222055,0.7341254883147146,0.05212973750942362,0.07283599479130971,0.35002741415941335
EOS-2-04749,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)cn2)n1,CDVLZPSILUGGPB-UHFFFAOYSA-N,2,1,0.479,65,779,451.903,3.078,5,0.383,0.57,1.0,0.47015283393872936,0.59993317798643,0.03909087793845521,0.06730176135974231,0.29411966280583923
EOS-2-04750,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ncn2)n1,BGPDMKNIQJPALE-UHFFFAOYSA-N,2,1,0.404,31,194,451.903,3.078,5,0.383,0.56,0.999,0.5385083270509218,0.5102203413062847,0.04346857651977246,0.0639263929819752,0.28903090946473853
EOS-2-04751,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)s1,CTOZXEQIWZCXLP-UHFFFAOYSA-N,2,1,0.474,20,279,451.903,3.078,5,0.383,0.68,0.999,0.5232163662531698,0.715646631485162,0.046835377972722914,0.07086560208347611,0.3391409944486327
EOS-2-04752,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)s1,UUUCYYDABLEYTG-UHFFFAOYSA-N,2,1,0.43,31,194,451.903,3.078,5,0.359,0.67,0.705,0.5436570488657392,0.5102289082311013,0.07418100198752656,0.10516756904941402,0.30830863203344533
EOS-2-04753,N=c1[nH]c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cs1,GNQWSHSTGFZLRR-UHFFFAOYSA-N,2,1,0.455,72,132,451.903,2.787,5,0.405,0.62,0.805,0.5410270029470221,0.6045250496881639,0.15405044205332055,0.1667551915564389,0.36658942156123636
EOS-2-04754,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)cc(Cl)n2)s1,JVIFGAITQBMVCM-UHFFFAOYSA-N,2,1,0.494,31,361,451.903,3.078,5,0.359,0.55,0.274,0.6214789939003496,0.6914793365773422,0.0762199300938935,0.10960523610444795,0.3746958741690083
EOS-2-04755,N=c1[nH]nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)s1,DUPYPUUZJDFEBU-UHFFFAOYSA-N,2,1,0.523,75,583,451.903,2.787,5,0.379,0.55,0.999,0.6782862723596738,0.5518555959152902,0.17661572202042355,0.18872935371119184,0.3988717360016449
EOS-2-04756,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ncn2)cn1,DYGPRRNCHDIDKK-UHFFFAOYSA-N,2,1,0.4,31,296,451.903,3.078,5,0.383,0.61,0.952,0.515086354602152,0.5240816256596532,0.06555410869714208,0.08908745116852855,0.29845238503186894
EOS-2-04757,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)ccn2)cn1,QCJQAZAHJFXDHT-UHFFFAOYSA-N,2,1,0.484,75,530,451.903,3.078,5,0.383,0.62,1.0,0.43739291343979164,0.542269207045439,0.0419950654513056,0.06906654787197587,0.272680933452128
EOS-2-04758,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)ncn2)cn1,ADAPSHRCVRGWRX-UHFFFAOYSA-N,2,1,0.41,31,194,451.903,3.078,5,0.383,0.67,1.0,0.392690699746419,0.4611061613323281,0.050296415598656705,0.08196833664587759,0.24651540333082037
EOS-2-04759,CN=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)s1,GZYLVKAMOHQNFW-UHFFFAOYSA-N,2,1,0.406,2,565,451.903,2.796,5,0.408,0.51,0.925,0.4142793502844219,0.3353694057980947,0.1997806867246933,0.19418648481940923,0.2859039819066548
EOS-2-04760,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cc1,NMKGDKHGWFZISW-UHFFFAOYSA-N,2,1,0.554,11,275,451.914,5.329,5,0.349,0.77,1.0,0.9631108217394284,0.9484870810773764,0.8062247275717909,0.8503529573024468,0.8920438969227605
EOS-2-04761,Fc1ccccc1-c1ncccc1-c1nnc2cncc(OCCc3ccc(Cl)s3)n12,POAHXHUZLMHZGH-UHFFFAOYSA-N,2,1,0.511,11,275,451.914,5.329,5,0.349,0.75,0.995,0.9270526351860736,0.8685919402371325,0.715338222191762,0.7935285449934891,0.8261278356521143
EOS-2-04762,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)cc1Cl,DWXZUNYNGDORFO-UHFFFAOYSA-N,2,1,0.75,91,485,451.914,5.329,5,0.349,0.79,1.0,0.9411280926598589,0.9069374957165376,0.8804057295593174,0.8899150161058187,0.9045965835103832
EOS-2-04763,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)ccc1Cl,KAOOXJXBUQRGGN-UHFFFAOYSA-N,2,1,0.767,91,781,451.914,5.329,5,0.349,0.79,1.0,0.9695874169008293,0.9669145363580289,0.8627150298128984,0.8670070591460489,0.9165560105544515
EOS-2-04764,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)cc1Cl,OEVJDUIDTGINKD-UHFFFAOYSA-N,2,1,0.75,91,485,451.914,5.329,5,0.349,0.74,1.0,0.9393975738468919,0.9069460626413542,0.8506527996710301,0.8622181481735316,0.889803646083202
EOS-2-04765,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cs1,IJQOVTZLHYJNDV-UHFFFAOYSA-N,2,1,0.675,43,11,451.914,5.595,5,0.348,0.84,1.0,0.8965115482146528,0.8536683572064971,0.8776900143924337,0.8733894181344665,0.8753148344870125
EOS-2-04766,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)ccc1Cl,VVKOQLRKKWKSAV-UHFFFAOYSA-N,2,1,0.8,91,883,451.914,5.329,5,0.349,0.67,1.0,0.9598896580083613,0.9385151805907751,0.9080083613186211,0.9143136179836886,0.9301817044753615
EOS-2-04767,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5cccs5)c4)n23)c1,KFRWUBWLPDRAIZ-UHFFFAOYSA-N,2,1,0.625,24,583,451.914,5.329,5,0.349,0.81,1.0,0.9060636693852375,0.9129771777122884,0.8360119251593447,0.8638372969638819,0.8797225173051881
EOS-2-04768,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1ccccn1,SVABBHRTEZOJRL-UHFFFAOYSA-N,2,1,0.533,11,275,451.914,5.329,5,0.349,0.81,1.0,0.9659978754026455,0.9558032348708108,0.7935799465423892,0.8353008703995614,0.8876704818038517
EOS-2-04769,Cc1nc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)c(F)c5)n34)c2)cs1,QEFJXYKQQMTICH-UHFFFAOYSA-N,2,1,0.453,14,18,451.914,5.595,5,0.348,0.88,1.0,0.5618360633267082,0.637687615653485,0.8566410801178809,0.8554074429442807,0.7278930505105887
EOS-2-04770,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccnc(-c4cccs4)c3)n12,VMTLTEWTVIQZJL-UHFFFAOYSA-N,2,1,0.649,24,749,451.914,5.329,5,0.349,0.8,1.0,0.9029967103008704,0.8954406826125694,0.8145346446439586,0.8486652731135631,0.8654093276677404
EOS-2-04771,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cc1,ARJOZXPTIIZSKZ-UHFFFAOYSA-N,2,1,0.471,11,503,451.914,5.329,5,0.349,0.79,1.0,0.8876276471797684,0.8654992803783154,0.7895534918785553,0.8486738400383799,0.8478385648687548
EOS-2-04772,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cccc(-c4ccsc4)c3)n12,RRUYKZJQKSSIJD-UHFFFAOYSA-N,2,1,0.517,35,490,451.914,5.329,5,0.349,0.72,1.0,0.7995253923651566,0.7822973065588377,0.8023610444794737,0.8486824069631965,0.8082165375916661
EOS-2-04773,Cc1sc(-c2ccccc2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,FKOWJDAJRPGOTI-UHFFFAOYSA-N,2,1,0.578,57,709,451.914,5.595,5,0.348,0.78,1.0,0.805059625796724,0.8901805907751353,0.6122952504968816,0.7014169693646769,0.7522381091083544
EOS-2-04774,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5csc(Cl)c5)n34)ccn2)cc1,LJZXUMVLLIBGDE-UHFFFAOYSA-N,2,1,0.612,11,201,451.914,5.329,5,0.349,0.71,1.0,0.9394061407717086,0.932638270166541,0.8424114179973956,0.8718473716674663,0.8965758001507779
EOS-2-04775,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)nc1,IYPOOKSLFDAOBM-UHFFFAOYSA-N,2,1,0.5,11,848,451.914,5.329,5,0.349,0.74,1.0,0.9331265848810911,0.9045901583167706,0.7855613049139881,0.82514906449181,0.8621067781509151
EOS-2-04776,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c1,ANUHTUUVLOQQPQ-UHFFFAOYSA-N,2,1,0.588,91,732,451.914,5.329,5,0.349,0.8,1.0,0.8981906654787197,0.9169179631279556,0.8342728394215613,0.8589541498183811,0.8770839044616544
EOS-2-04777,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)c1,IZGGVQFXLPWEBM-UHFFFAOYSA-N,2,1,0.545,11,275,451.914,5.329,5,0.349,0.78,1.0,0.9218011102734562,0.9186484819409225,0.7935885134672058,0.8431224727571791,0.869290144609691
EOS-2-04778,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)cc1Cl,MYQXYGMEHNPIBG-UHFFFAOYSA-N,2,1,0.72,84,360,451.914,5.329,5,0.349,0.75,1.0,0.9137225001713385,0.8505414296484134,0.8790350215886505,0.8886556781577685,0.8829886573915428
EOS-2-04779,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)ccc1Cl,QTYPHSNPIPQUBT-UHFFFAOYSA-N,2,1,0.8,91,883,451.914,5.329,5,0.349,0.75,1.0,0.9731683914741964,0.9662891508464122,0.8946439586046193,0.8994671372764033,0.9333921595504078
EOS-2-04780,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2)cc1,PQEYMLNOHMANLP-UHFFFAOYSA-N,2,1,0.471,11,275,451.914,5.329,5,0.349,0.8,1.0,0.9164639161126722,0.9021571516688369,0.7895620588033719,0.8451528339387293,0.8633339901309026
EOS-2-04781,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3)n12,CQABECDKROUOMG-UHFFFAOYSA-N,2,1,0.6,84,749,451.914,5.329,5,0.349,0.75,1.0,0.8911743540538688,0.9224350627098896,0.8392759235144952,0.8686176410115825,0.880375745322459
EOS-2-04782,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cc1Cl,SWOIENQBXIOHGQ-UHFFFAOYSA-N,2,1,0.767,91,781,451.914,5.329,5,0.349,0.78,1.0,0.9690305667877459,0.9684137482009458,0.862723596737715,0.8670156260708656,0.9167958844493181
EOS-2-04783,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)cn2)cc1Cl,CUWPJDUJTFQZBB-UHFFFAOYSA-N,2,1,0.595,11,275,451.914,5.329,5,0.349,0.83,1.0,0.957884997601261,0.9527876773353438,0.8292097868549105,0.8589627167431979,0.8997112946336783
EOS-2-04784,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cc1,QETYWRFIESKECE-UHFFFAOYSA-N,2,1,0.524,11,275,451.914,5.329,5,0.349,0.76,1.0,0.9284319100815571,0.9558118017956274,0.7982917551915565,0.8451614008635461,0.8819242169830717
EOS-2-04785,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c1,WIDKEXBNQUFZSG-UHFFFAOYSA-N,2,1,0.6,91,660,451.914,5.329,5,0.349,0.81,1.0,0.9654238914399287,0.9719090535261462,0.847097525872113,0.8638458638886986,0.9120690836817216
EOS-2-04786,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)nc1,UJGANBKPDIODQU-UHFFFAOYSA-N,2,1,0.477,11,275,451.914,5.329,5,0.349,0.81,1.0,0.8839353025837845,0.865507847303132,0.7764289630594202,0.8372798300322116,0.8407879857446371
EOS-2-04787,Fc1ccccc1-c1cccnc1-c1nnc2cncc(OCCc3ccsc3Cl)n12,IODCDDDBNOZYBO-UHFFFAOYSA-N,2,1,0.529,11,384,451.914,5.329,5,0.349,0.6,0.995,0.7565708313343842,0.7736447124940031,0.7487663628263999,0.8251576314166267,0.7760348845178535
EOS-2-04788,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)s3)n12,RAPBOMUMXVQYDM-UHFFFAOYSA-N,2,1,0.53,11,275,451.914,5.329,5,0.349,0.74,1.0,0.9178174902337057,0.9371102049208416,0.8342814063463779,0.8653793434308821,0.8886471112329517
EOS-2-04789,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1,QCXYMXRHBDVXKQ-UHFFFAOYSA-N,2,1,0.826,79,497,451.917,5.605,5,0.335,0.82,1.0,0.9963333561784662,0.9978411349461997,0.9495236789801933,0.9569512027962442,0.975162343225276
EOS-2-04790,Cc1cc(C#N)ccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,CMLWWQHAYRXYTP-UHFFFAOYSA-N,2,1,0.676,79,326,451.917,5.871,5,0.334,0.83,1.0,0.9872952504968816,0.9872695497224316,0.965029812898362,0.9636248372284285,0.975804862586526
EOS-2-04791,N#Cc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1,IKHCRILPJRGKBH-UHFFFAOYSA-N,2,1,0.866,79,497,451.917,5.605,5,0.335,0.82,1.0,0.9985693235556165,0.9995202522102666,0.9501233637173601,0.9575851552326777,0.9764495236789802
EOS-2-04792,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cc1,YNOVIGLTPGUQOG-UHFFFAOYSA-N,2,1,0.909,79,497,451.917,5.605,5,0.335,0.82,1.0,0.9963419231032828,0.9973014186827497,0.9501319306421767,0.9569597697210609,0.9751837605373176
EOS-2-04793,N#Cc1cc(-c2nnc3cncc(OCc4nc(-c5ccsc5)ns4)n23)ccc1Cl,MYNBRFOKYMJTMD-UHFFFAOYSA-N,2,1,0.494,16,85,451.924,4.475,5,0.388,0.73,1.0,0.6102391885408813,0.7946765129189226,0.42233225961208964,0.5292303474744706,0.589119577136591
EOS-2-04794,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ccc[nH]1,IDLWFZUZVADJKN-UHFFFAOYSA-N,2,1,0.5,15,848,451.939,5.131,5,0.371,0.67,0.994,0.892999109039819,0.814757384689192,0.6921989582619423,0.6553097800013707,0.7638163079980811
EOS-2-04795,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,LFFGHSWOMZTVIU-UHFFFAOYSA-N,2,1,0.439,87,905,451.943,4.406,5,0.364,0.72,0.999,0.5202607771914194,0.4787026249057638,0.3709050099376328,0.3769703927078336,0.4367097011856624
EOS-2-04796,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,XJNAZEAYNKBKKY-UHFFFAOYSA-N,2,1,0.41,31,211,451.943,4.406,5,0.364,0.76,0.994,0.4374014803646083,0.35011308340758,0.31516003015557537,0.32832739359879376,0.3577504968816394
EOS-2-04797,CCn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)c1,GWZXTDJQYVBXGW-UHFFFAOYSA-N,2,1,0.489,75,819,451.943,4.406,5,0.364,0.71,1.0,0.520269344116236,0.5240901925844699,0.315168597080392,0.3129925981769584,0.41813018298951404
EOS-2-04798,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)n(C)n4)n23)cs1,ALOPJYJHZXVMIB-UHFFFAOYSA-N,2,1,0.483,95,266,451.943,4.232,5,0.384,0.81,1.0,0.42845761085600714,0.48273764649441436,0.19978925364950997,0.26454663833870196,0.3438827873346584
EOS-2-04799,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)nn1C,CZHCPJHSFXTOFO-UHFFFAOYSA-N,2,1,0.54,15,561,451.943,4.232,5,0.384,0.73,1.0,0.5962065656911795,0.6045336166129806,0.169950654513056,0.1968250976629429,0.3918789836200397
EOS-2-04800,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)c1,DUYCOZFQUUDASJ-UHFFFAOYSA-N,2,1,0.429,18,544,451.943,4.232,5,0.384,0.57,0.996,0.34924782400109655,0.3259800561990268,0.3522205469124803,0.34127201699677884,0.34218011102734563
EOS-2-04801,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cs1,KHHAUCQVEICNAJ-UHFFFAOYSA-N,2,1,0.455,87,304,451.943,4.406,5,0.364,0.63,1.0,0.4076399835515043,0.35012165033239667,0.3151771640052087,0.3412805839215955,0.3535548454526763
EOS-2-04802,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)n1C,HSLJPGXILDJYLD-UHFFFAOYSA-N,2,1,0.457,87,227,451.943,4.232,5,0.384,0.69,1.0,0.5758087177026935,0.5471266534164896,0.329792337742444,0.31898944554862585,0.4429292886025632
EOS-2-04803,Cc1c(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cnn1C,QZDRFSSSIJBPFZ-UHFFFAOYSA-N,2,1,0.432,31,544,451.943,4.232,5,0.384,0.75,1.0,0.3883387019395518,0.36941436501953256,0.3003820848468234,0.2941282297306559,0.338065845384141
EOS-2-04804,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,LVBGEIYTPFRHQS-UHFFFAOYSA-N,2,1,0.441,31,544,451.943,4.232,5,0.384,0.72,0.873,0.3838324994859845,0.36441984785141524,0.3076468370913577,0.30033925022274005,0.3390596086628744
EOS-2-04805,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cc(C)nn5C)c(Cl)c4)n23)n1,OERJCMPQUKTIFQ-UHFFFAOYSA-N,2,1,0.549,4,677,451.943,4.498,5,0.391,0.63,1.0,0.40764855047632104,0.5014906449181002,0.2932030018504558,0.2793845521211706,0.37043168734151194
EOS-2-04806,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)nn1C,VMRPQSZFUANZQO-UHFFFAOYSA-N,2,1,0.495,58,954,451.943,4.232,5,0.384,0.72,1.0,0.5436656157905558,0.6718782125968062,0.2602803097800014,0.25848125556850116,0.4335763484339662
EOS-2-04807,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cc2Cl)cn1,LHYBONXQQBESFG-UHFFFAOYSA-N,2,1,0.565,35,545,451.943,4.406,5,0.364,0.66,1.0,0.4753529573024467,0.5612792132136248,0.37091357686244947,0.39564628880816943,0.45079800904667255
EOS-2-04808,CCCn1nccc1-c1ccc(-c2nnc3cncc(OCc4cscc4Cl)n23)cn1,KDMYBJOIPPQDEX-UHFFFAOYSA-N,2,1,0.43,55,283,451.943,4.754,5,0.355,0.65,1.0,0.43057364128572406,0.44338119388664243,0.24575080529093277,0.28807141388527174,0.35194426358714276
EOS-2-04809,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccn(C)c5Cl)n34)ccn2)s1,KSIVICTUSVRQQO-UHFFFAOYSA-N,2,1,0.512,75,496,451.943,4.232,5,0.384,0.61,1.0,0.5933280789527791,0.5752175998903434,0.39332465218285245,0.37380063052566653,0.48391774038791036
EOS-2-04810,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cnsc5Cl)n34)c2)nn1C,DDGVGSSFLYVGGR-UHFFFAOYSA-N,2,1,0.558,15,438,451.943,4.232,5,0.384,0.59,1.0,0.4677797957645124,0.5149150161058187,0.26745082585155233,0.28519292714687133,0.38383464121718874
EOS-2-04811,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cc(C)n(C)n5)cc4Cl)n23)n1,QKPCMXANTJNMAX-UHFFFAOYSA-N,2,1,0.506,4,677,451.943,4.498,5,0.391,0.75,1.0,0.3653108080323487,0.5240987595092865,0.267459392776369,0.24932321293948323,0.35154804331437184
EOS-2-04812,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)nn1C,RBGSFJRMRRIQET-UHFFFAOYSA-N,2,1,0.511,58,819,451.943,4.232,5,0.384,0.66,1.0,0.494971215132616,0.5702402165718594,0.26746795970118564,0.2676735658967857,0.40008823932561166
EOS-2-04813,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ncsc4Cl)n23)c1,ZYTIRZAXIIJWEH-UHFFFAOYSA-N,2,1,0.464,26,448,451.943,4.406,5,0.364,0.69,1.0,0.48764649441436503,0.4741278870536632,0.24952881913508326,0.2880799808100884,0.3748457953533
EOS-2-04814,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ccn2)cn1,RNEKONZZLQTNOZ-UHFFFAOYSA-N,2,1,0.512,75,329,451.943,4.406,5,0.364,0.66,1.0,0.4012319237886368,0.3742032759920499,0.3558957576588308,0.36074463710506477,0.37301889863614557
EOS-2-04815,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,XTZGHOCHGRMVHL-UHFFFAOYSA-N,2,1,0.457,87,349,451.943,4.406,5,0.364,0.7,1.0,0.36074463710506477,0.3694229319443493,0.36346035227194845,0.36732403536426567,0.36523798917140704
EOS-2-04816,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4scnc4Cl)n23)c1,YETRYPCMEBLAJA-UHFFFAOYSA-N,2,1,0.506,26,438,451.943,4.406,5,0.364,0.67,1.0,0.5176992666712357,0.5286477965869372,0.2564251936125009,0.29716948804057297,0.3999854362278117
EOS-2-04817,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,DMNNIZNDFRXMNR-UHFFFAOYSA-N,2,1,0.473,87,349,451.943,4.232,5,0.384,0.7,1.0,0.44202761976560895,0.4787111918305805,0.3634689191967651,0.34774004523336305,0.40798694400657937
EOS-2-04818,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)n(C)n1,JEIQXUYOOPDPFE-UHFFFAOYSA-N,2,1,0.517,58,819,451.943,4.232,5,0.384,0.63,1.0,0.47536152422726335,0.5241073264341032,0.27869919813583716,0.27939311904598724,0.3893902919607977
EOS-2-04819,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cn1,KUVJGJBDXZRAAT-UHFFFAOYSA-N,2,1,0.5,75,329,451.943,4.406,5,0.364,0.73,1.0,0.39269926667123567,0.4072459050099376,0.3113905832362415,0.3221163731067096,0.3583630320060311
EOS-2-04820,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1ncnn1C,LQCWSROVMYQEPJ-UHFFFAOYSA-N,2,1,0.505,15,561,451.943,4.232,5,0.384,0.65,1.0,0.5873397985059283,0.57522616681516,0.30039065177164004,0.31899801247344256,0.4454886573915427
EOS-2-04821,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,ZWZOWTJEADWCDC-UHFFFAOYSA-N,2,1,0.455,58,510,451.943,4.406,5,0.364,0.74,1.0,0.5845298471660613,0.5702487834966761,0.30422863408950723,0.31300116510177506,0.44300210746350493
EOS-2-04822,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cn1,QPUSEXQTWCDVPH-UHFFFAOYSA-N,2,1,0.469,87,468,451.943,4.406,5,0.364,0.74,1.0,0.4142879172092386,0.4971043794119663,0.3042372010143239,0.3130097320265917,0.38215980741553013
EOS-2-04823,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,YHLJVHZHFNJMGZ-UHFFFAOYSA-N,2,1,0.5,15,931,451.943,4.406,5,0.364,0.66,1.0,0.4975412925776163,0.510237475155918,0.1894575423206086,0.2493317798642999,0.36164202247961075
EOS-2-04824,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)c1,GVDPRYVLMJQZOQ-UHFFFAOYSA-N,2,1,0.464,58,510,451.943,4.406,5,0.364,0.71,1.0,0.610247755465698,0.6094081968336645,0.30765540401617436,0.30350901240490713,0.45770509218011096
EOS-2-04825,Cc1cc(-c2nnc3cncc(OCCc4scnc4Cl)n23)ccc1-c1ccn(C)n1,FZACYUTWIZFUJO-UHFFFAOYSA-N,2,1,0.524,15,438,451.943,4.232,5,0.384,0.62,1.0,0.5102032074566514,0.5905866630114454,0.2895963265026386,0.2971780549653896,0.42189106298403123
EOS-2-04826,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)n(C)n1,MSIPTHGEYCCBFR-UHFFFAOYSA-N,2,1,0.566,15,320,451.943,4.232,5,0.384,0.72,1.0,0.7083990130902611,0.7202042354876294,0.2033273935987938,0.23200089096018092,0.46598288328421633
EOS-2-04827,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)c1,NAIDUYKWGLHPSM-UHFFFAOYSA-N,2,1,0.404,18,211,451.943,4.406,5,0.364,0.61,0.999,0.38611986841203483,0.3061133575491741,0.3595966691796313,0.3673326022890823,0.35479062435748066
EOS-2-04828,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)c1,XFGDQZJPKWEXSW-UHFFFAOYSA-N,2,1,0.53,15,931,451.943,4.406,5,0.364,0.56,1.0,0.4213813309574395,0.43917483380165856,0.22785449934891372,0.28520149407168804,0.34340303954492496
EOS-2-04829,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cs1,IRUJPNKUYVULEP-UHFFFAOYSA-N,2,1,0.688,91,660,447.951,5.498,5,0.344,0.84,1.0,0.7995339592899733,0.859836543074498,0.6838804742649579,0.7040041806593106,0.7618137893221849
EOS-2-04830,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccn(C)c4Cl)n23)c1,XNYTUCCZQRYYTP-UHFFFAOYSA-N,2,1,0.506,26,438,447.93,4.288,5,0.372,0.65,1.0,0.5562761291206908,0.5286563635117538,0.5681755876910424,0.5222397368240697,0.5438369542868892
EOS-2-04831,CCn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccn(C)c5Cl)n34)c2)c1,KDYGDPNQVJJMCL-UHFFFAOYSA-N,2,1,0.516,15,438,447.93,4.288,5,0.372,0.61,1.0,0.5677301076005757,0.5422777739702557,0.558023781783291,0.5023901720238503,0.5426054588444932
EOS-2-04832,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)c(C)n1,ZZJRLDLTSKDNTD-UHFFFAOYSA-N,2,1,0.354,31,544,447.89,3.401,5,0.364,0.74,1.0,0.2270063737920636,0.280275512302104,0.12179597011856624,0.11204680967719827,0.18528116647248302
EOS-2-04833,CCn1cnc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)ccn2)c1,GDFKHDVHJJTVFV-UHFFFAOYSA-N,2,1,0.454,75,359,447.89,3.135,5,0.374,0.63,0.999,0.4305822082105407,0.44338976081145914,0.1667551915564389,0.1589592899732712,0.2999216126379275
EOS-2-04834,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ncn1,NNQUPTXANNNCGC-UHFFFAOYSA-N,2,1,0.421,31,194,447.89,2.96,5,0.391,0.62,0.504,0.4076571174011377,0.33537797272291137,0.20333596052361044,0.2057432663970941,0.2880285792611884
EOS-2-04835,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)c1,HBJVHTQCAREDGN-UHFFFAOYSA-N,2,1,0.375,31,211,447.89,3.135,5,0.374,0.69,0.981,0.36994551435816597,0.26484648070728534,0.12431464601466657,0.1434959906791858,0.22565065793982592
EOS-2-04836,Cc1cc(-c2nnc3cncc(OCc4cnnc(-c5nnc(C)n5C)c4)n23)ccc1Cl,MNEWIEHSTUHBDE-UHFFFAOYSA-N,2,1,0.5,36,571,447.89,3.226,5,0.404,0.66,0.832,0.505208690288534,0.5905952299362621,0.15721163731067095,0.19683366458775958,0.3624623055308066
EOS-2-04837,CCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cn1,PEOCQECKUOBXIY-UHFFFAOYSA-N,2,1,0.374,20,711,447.89,3.135,5,0.374,0.72,1.0,0.2778339387293537,0.2396511548214653,0.15118908916455348,0.15896785689808787,0.20691050990336507
EOS-2-04838,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)n(C)n1,SJMOFDMORQXXHU-UHFFFAOYSA-N,2,1,0.489,58,819,447.89,2.96,5,0.365,0.62,1.0,0.43481426906997467,0.482746213419231,0.07203070385854293,0.0910664108011788,0.27016439928723185
EOS-2-04839,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5nccn5C)ncn4)n23)c1,OEYSCPBHWLDKSA-UHFFFAOYSA-N,2,1,0.385,31,194,447.89,2.96,5,0.365,0.5,0.975,0.49010520183674866,0.34539270783359605,0.16049276951545474,0.16168357206497155,0.2894185628126928
EOS-2-04840,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)c1,JSTZYWWWVWYCAV-UHFFFAOYSA-N,2,1,0.402,31,544,447.89,2.96,5,0.391,0.66,0.95,0.35145809060379685,0.2961157562881228,0.12180453704338291,0.1278442190391337,0.22430565074360906
EOS-2-04841,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2)cn1,OSDFDBLXWNQJQV-UHFFFAOYSA-N,2,1,0.404,53,44,447.89,3.135,5,0.35,0.69,1.0,0.327753409636077,0.30612192447399084,0.12432321293948324,0.14840483859913645,0.22665084641217187
EOS-2-04842,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ncn2)nn1C,LFWYWABYTZMOTQ-UHFFFAOYSA-N,2,1,0.418,31,194,447.89,2.96,5,0.391,0.62,0.684,0.43259543554245766,0.37421184291686654,0.14502947022136933,0.14350455760400246,0.273835326571174
EOS-2-04843,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ccn2)n(C)n1,NMZRYGHYJAOVNZ-UHFFFAOYSA-N,2,1,0.473,75,359,447.89,2.96,5,0.391,0.52,0.999,0.4012404907134535,0.41214618600507164,0.10502193132753067,0.11678431910081558,0.25879823178671785
EOS-2-04844,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c1,TXMSHEDEJLSCNW-UHFFFAOYSA-N,2,1,0.408,31,643,447.89,3.135,5,0.374,0.67,0.161,0.3607532040298814,0.3010160372832568,0.20334452744842713,0.23491364539784798,0.2750068535398533
EOS-2-04845,CCc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1n[nH]c(C)n1,PYDXKUPORNZYNM-UHFFFAOYSA-N,2,1,0.366,31,717,447.89,3.47,5,0.393,0.66,0.975,0.4420361866904256,0.5241158933589198,0.12181310396819958,0.13218764992118429,0.3050382084846823
EOS-2-04846,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cnncc5Cl)n34)c2)n(C)n1,JTFGCCMOOLTJRM-UHFFFAOYSA-N,2,1,0.558,15,931,447.89,2.96,5,0.391,0.62,1.0,0.4876550613391817,0.5241244602837366,0.14503803714618602,0.1722894249880063,0.3322767459392777
EOS-2-04847,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)c(C)n1,BTNRVEHTKPKWET-UHFFFAOYSA-N,2,1,0.452,31,395,447.89,3.401,5,0.364,0.66,0.528,0.2834709752587211,0.23403981906654786,0.18631348091289152,0.17229799191282297,0.21903056678774585
EOS-2-04848,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCCc4cccc(Cl)n4)n23)nc1,RAXGAUGHTULADP-UHFFFAOYSA-N,2,1,0.412,31,954,447.89,3.042,5,0.276,0.7,1.0,0.43059077513535743,0.43489993831814133,0.12182167089301624,0.16409944486327188,0.28785295730244675
EOS-2-04849,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)cn1,VAWKPLCPGXXEEU-UHFFFAOYSA-N,2,1,0.443,20,329,447.89,3.135,5,0.374,0.7,1.0,0.33762250702487834,0.3501302172572133,0.1540590089781372,0.16169213898978824,0.2508759680625043
EOS-2-04850,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)cn1,QYUDHCUYKUFGEP-UHFFFAOYSA-N,2,1,0.441,65,779,447.89,3.135,5,0.374,0.71,1.0,0.4561544787882941,0.49711294633678293,0.16376533479542182,0.1833407580015078,0.32509337948050165
EOS-2-04851,Cc1ccnnc1CCOc1cncc2nnc(-c3ccc(-c4cncn4C)nc3Cl)n12,FNGIMJMYAHGWBI-UHFFFAOYSA-N,2,1,0.441,31,24,447.89,2.96,5,0.365,0.6,1.0,0.4305993420601741,0.4827547803440477,0.12700466040710026,0.13880131587965183,0.2947900246727435
EOS-2-04852,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)cn2)cn1,AVBROCFNFIJTCI-UHFFFAOYSA-N,2,1,0.464,65,468,447.89,3.135,5,0.374,0.71,1.0,0.37691899115893357,0.46534678911657873,0.1605013364402714,0.15625214173120416,0.28975481461174696
EOS-2-04853,CCn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)ncn1,GSEILEQLUQTTOR-UHFFFAOYSA-N,2,1,0.394,31,194,447.89,3.135,5,0.35,0.57,0.997,0.45616304571311084,0.3163765334795422,0.1218302378178329,0.14612603659790283,0.2601239634020972
EOS-2-04854,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)cn1,JFSROSOKCPDFPZ-UHFFFAOYSA-N,2,1,0.416,31,194,447.89,3.135,5,0.374,0.67,1.0,0.3277619765608937,0.24479987663628264,0.21372764032622849,0.22295421835377974,0.25231092796929616
EOS-2-04855,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,FVRALMASQJQJNB-UHFFFAOYSA-N,2,1,0.495,87,908,447.89,3.135,5,0.374,0.65,1.0,0.5358268795833048,0.5471352203413062,0.11295490370776506,0.15104345144267015,0.33674011376876156
EOS-2-04856,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)n(C)n1,QVPRWGJMINBXOP-UHFFFAOYSA-N,2,1,0.511,65,981,447.89,2.96,5,0.391,0.68,1.0,0.5232249331779865,0.5857806181892947,0.107489205674731,0.13219621684600097,0.33717274347200327
EOS-2-04857,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)n1C,KLEMNORFCRUZIZ-UHFFFAOYSA-N,2,1,0.382,31,194,447.89,2.96,5,0.365,0.63,0.999,0.510211774381468,0.36943149886916593,0.12701322733191694,0.12988314714550064,0.2841349119320129
EOS-2-04858,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)nn2C)cn1,DMBLSGLIIPKWLO-UHFFFAOYSA-N,2,1,0.439,31,569,447.89,2.96,5,0.365,0.63,1.0,0.3629634706325817,0.3402953875676787,0.1829895140840244,0.16410801178808854,0.2625890960180933
EOS-2-04859,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ncn2)cn1,BECAPWGCWZECOW-UHFFFAOYSA-N,2,1,0.42,31,194,447.89,3.135,5,0.374,0.69,0.999,0.3303748886299774,0.264855047632102,0.17342882598862314,0.1805907751353574,0.237312384346515
EOS-2-04860,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,KAUWLJMHDHWOQN-UHFFFAOYSA-N,2,1,0.417,87,905,447.89,3.135,5,0.374,0.68,0.997,0.3905147008429854,0.3836782948392845,0.18946610924542526,0.19968645055170997,0.2908363888698513
EOS-2-04861,CCn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ncn1,BBSZYILZXISJKO-UHFFFAOYSA-N,2,1,0.406,31,194,447.89,3.135,5,0.374,0.56,0.945,0.45155404016174355,0.29612432321293947,0.11296347063258173,0.14114008635460215,0.25044548009046674
EOS-2-04862,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1,DOBIWJLKJIELJT-UHFFFAOYSA-N,2,1,0.434,31,908,447.89,3.135,5,0.35,0.61,1.0,0.497549859502433,0.4566256596532109,0.15406757590295386,0.18059934206017408,0.32221060927969297
EOS-2-04863,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2)cn1,GXIWJQDKXFAFHY-UHFFFAOYSA-N,2,1,0.432,53,44,447.89,3.135,5,0.374,0.65,0.998,0.35609279692961415,0.3061304913988075,0.1797683503529573,0.20858748543622782,0.26264478102940164
EOS-2-04864,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2C)cn1,FJWQPNBUEDLIOC-UHFFFAOYSA-N,2,1,0.417,31,569,447.89,2.96,5,0.391,0.58,1.0,0.3769275580837503,0.3305547940511274,0.16050990336508808,0.17765231992324035,0.2614111438558015
EOS-2-04865,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)nn1C,NLITYDSMXNRPHV-UHFFFAOYSA-N,2,1,0.5,20,931,447.89,2.96,5,0.391,0.68,1.0,0.48277191419368104,0.4827633472688644,0.0720392707833596,0.08538653964772805,0.2807402679734083
EOS-2-04866,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nn1C,BKAJKMFPNLBMIJ-UHFFFAOYSA-N,2,1,0.5,15,482,447.89,2.96,5,0.391,0.72,1.0,0.5539544924953739,0.5422863408950723,0.06981187033102597,0.08371598930847783,0.3124421732574875
EOS-2-04867,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)cn2)c1,ZAWHZGQWDXDFJG-UHFFFAOYSA-N,2,1,0.459,65,823,447.89,3.135,5,0.374,0.7,1.0,0.46054931121924475,0.5286649304365705,0.1637739017202385,0.15351072578987046,0.326624717291481
EOS-2-04868,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cnncc4Cl)n23)c1,RHIYDDKMIYJAKE-UHFFFAOYSA-N,2,1,0.446,65,905,447.89,3.135,5,0.374,0.63,1.0,0.4326040024672744,0.4479730655883764,0.30424576793914054,0.31005414296484135,0.3737192447399082
EOS-2-04869,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)c2)nn1C,KNWNFOJPBPDDEF-UHFFFAOYSA-N,2,1,0.512,15,931,447.89,2.96,5,0.365,0.71,1.0,0.5052172572133506,0.5014992118429169,0.054091563292440546,0.06559694332122541,0.28160124391748337
EOS-2-04870,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1,FBXQLSPOLFAGFE-UHFFFAOYSA-N,2,1,0.478,20,734,447.89,3.135,5,0.374,0.65,1.0,0.6414998971969021,0.5906037968610788,0.12183880474264958,0.15351929271468714,0.37686544787882936
EOS-2-04871,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1-c1cncc(CN)c1,RKSIPCAZPSORDW-UHFFFAOYSA-N,2,1,0.426,95,694,447.89,2.673,5,0.394,0.65,1.0,0.32517476526626005,0.19961791515317662,0.34845966691796315,0.33492392570762797,0.30204406826125696
EOS-2-04872,CCn1cc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,RYQZRKIVTAESMA-UHFFFAOYSA-N,2,1,0.426,92,466,447.89,3.135,5,0.35,0.69,1.0,0.26730518812966897,0.23965972174628195,0.25643376053731753,0.26163388390103487,0.2562581385785758
EOS-2-04873,CCn1nncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,ZBGUMNOJKRTYCJ-UHFFFAOYSA-N,2,1,0.441,15,482,447.89,3.135,5,0.374,0.62,1.0,0.4189825920087725,0.48277191419368104,0.11014495236789802,0.1535278596395038,0.29135682955246384
EOS-2-04874,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)ncn2)cn1,UAKSXAJLCNBWKP-UHFFFAOYSA-N,2,1,0.376,31,395,447.89,3.401,5,0.389,0.67,1.0,0.2516619834144336,0.24970015763141662,0.2635957096840518,0.2320094578849976,0.2492418271537249
EOS-2-04875,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nn1C,SWRDNSUSOLPKTI-UHFFFAOYSA-N,2,1,0.506,65,349,447.89,2.96,5,0.365,0.63,1.0,0.44204475361524226,0.4521708587485436,0.1359056952916181,0.14613460352271948,0.2940639777945309
EOS-2-04876,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)ccc1-c1cnn(C)c1,PGHDCBMYBXZBOF-UHFFFAOYSA-N,2,1,0.378,92,690,447.89,3.172,5,0.365,0.64,0.997,0.2807466931670208,0.3789322184908505,0.20694263587142758,0.18060790898499074,0.2618073641285724
EOS-2-04877,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)nc(C)n1,OLZFCOUDWADIOM-UHFFFAOYSA-N,2,1,0.394,31,330,447.89,3.401,5,0.389,0.61,1.0,0.40766568432595435,0.30613905832362415,0.18947467617024194,0.1887379206360085,0.27300433486395725
EOS-2-04878,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,LHAOVUJOIDACKU-UHFFFAOYSA-N,2,1,0.479,87,349,447.89,3.135,5,0.374,0.65,1.0,0.4583047769172778,0.4433983277362758,0.14803646083201974,0.1858851346720581,0.3089061750394078
EOS-2-04879,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1,GVBBNLOYWNDKEX-UHFFFAOYSA-N,2,1,0.495,36,734,447.89,3.135,5,0.374,0.66,1.0,0.6871701733945583,0.652594064834487,0.11880611335754918,0.1510520183674868,0.4024055924885203
EOS-2-04880,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cnn1,CZFOTMSNKZDFMC-UHFFFAOYSA-N,2,1,0.454,65,778,447.89,3.135,5,0.35,0.62,1.0,0.42138989788225617,0.4027054348571037,0.24232403536426564,0.252450140497567,0.32971737715029814
EOS-2-04881,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)c(C)n1,PZDIUNBQINGOJX-UHFFFAOYSA-N,2,1,0.436,31,395,447.89,3.401,5,0.389,0.68,0.897,0.23233500102803098,0.2910441367966555,0.15119765608937016,0.15106058529230348,0.20640934480159004
EOS-2-04882,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)c1,BRLSAIIVBPUBST-UHFFFAOYSA-N,2,1,0.44,65,905,447.89,3.135,5,0.35,0.62,0.965,0.502655746693167,0.4521794256733603,0.24953738605989995,0.2258926735658968,0.35756630799808103
EOS-2-04883,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)ccn1,BCXFUEFXKZNACW-UHFFFAOYSA-N,2,1,0.444,75,624,447.89,3.135,5,0.374,0.67,1.0,0.4166523884586389,0.3928791720923857,0.12184737166746624,0.1411486532794188,0.26813189637447743
EOS-2-04884,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)ncn1,QSHONPMVAWAKAH-UHFFFAOYSA-N,2,1,0.386,31,194,447.89,3.135,5,0.35,0.63,0.661,0.4538071413885272,0.3305633609759441,0.1894832430950586,0.2027362757864437,0.29414750531149336
EOS-2-04885,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)ncn1,ZNPOMBHXXMXCIU-UHFFFAOYSA-N,2,1,0.4,31,194,447.89,3.135,5,0.374,0.63,0.823,0.437410047289425,0.32138818449729284,0.22786306627373037,0.24934034678911657,0.30900041121239125
EOS-2-04886,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ncn1,DPNMKDWDXFQKQB-UHFFFAOYSA-N,2,1,0.398,31,194,447.89,3.135,5,0.374,0.61,0.694,0.4561716126379275,0.33057192790076073,0.21373620725104517,0.2291909396203139,0.3074176718525118
EOS-2-04887,CCn1nccc1-c1cc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)ccn1,RQYPRCCACILDGQ-UHFFFAOYSA-N,2,1,0.438,75,359,447.89,3.135,5,0.35,0.71,1.0,0.41429648413405523,0.36442841477623195,0.08060619560002741,0.10100404358851346,0.240083784524707
EOS-2-04888,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)c2)c(C)n1,FYEIDVGWUUHRCP-UHFFFAOYSA-N,2,1,0.4,7,544,447.89,3.401,5,0.364,0.69,1.0,0.21315365636351175,0.2802840792269207,0.15407614282777055,0.12363785895414982,0.19278793434308822
EOS-2-04889,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)c1,IVIOTYQBNLCQDN-UHFFFAOYSA-N,2,1,0.483,15,931,447.89,3.135,5,0.35,0.69,1.0,0.47537009115208007,0.45218799259817694,0.0617418271537249,0.09291686656157906,0.2705541943663903
EOS-2-04890,CCn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)n1,WURHGMIQZCCZED-UHFFFAOYSA-N,2,1,0.495,65,578,447.89,3.135,5,0.35,0.63,1.0,0.4284661777808238,0.5149235830306353,0.13917826057158522,0.16411657871290522,0.31167115002398743
EOS-2-04891,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(C)n4)n23)cc(Cl)n1,IKXMZLFDWXPRQD-UHFFFAOYSA-N,2,1,0.439,7,624,447.89,3.401,5,0.364,0.62,0.987,0.335232335001028,0.39288773901720236,0.19287574532245905,0.15897642382290453,0.26999306079089846
EOS-2-04892,Cc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cnnn1C,BOSCWUMJFVYGEU-UHFFFAOYSA-N,2,1,0.436,31,578,447.89,2.96,5,0.365,0.61,1.0,0.407674251250771,0.430111027345624,0.19979782057432663,0.20859605236104448,0.31154478788294154
EOS-2-04893,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nn2)cn1,JKVURMSJPAVGTR-UHFFFAOYSA-N,2,1,0.435,53,44,447.89,3.135,5,0.35,0.66,1.0,0.3470889589472963,0.2961328901377562,0.18299808100884107,0.19684223151257624,0.2557655404016175
EOS-2-04894,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,XBSROSIUVGJKGW-UHFFFAOYSA-N,2,1,0.363,31,211,447.89,3.135,5,0.374,0.7,0.996,0.3653193749571654,0.27010657254471937,0.15722020423548763,0.16676375848125558,0.239852477554657
EOS-2-04895,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,BIXPXPDBKMVWNQ-UHFFFAOYSA-N,2,1,0.404,65,905,447.89,3.135,5,0.374,0.66,0.998,0.42847474470564045,0.40271400178192035,0.1962682475498595,0.20274484271126036,0.30755045918717017
EOS-2-04896,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)ccn2)cnc1Cl,AJGFMXPVCQHDAI-UHFFFAOYSA-N,2,1,0.489,65,359,447.89,2.96,5,0.391,0.58,1.0,0.45831334384209443,0.5015077787677336,0.16676375848125558,0.15626070865602085,0.32071139743677607
EOS-2-04897,Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5nccn5C)ncn4)n23)c(Cl)n1,TTXBRQLAMBCXQS-UHFFFAOYSA-N,2,1,0.4,31,194,447.89,2.96,5,0.365,0.65,0.979,0.4827804811184977,0.354910561304914,0.1480450277568364,0.14841340552395313,0.2835373689260503
EOS-2-04898,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2C)cn1,WBFCGZMOCKZNDN-UHFFFAOYSA-N,2,1,0.418,31,477,447.89,2.96,5,0.365,0.68,1.0,0.3561013638544308,0.3010246042080735,0.11015351929271469,0.12364642587896649,0.22273147830854637
EOS-2-04899,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)n1,GFUJXFXSULVFAE-UHFFFAOYSA-N,2,1,0.421,31,569,447.89,2.96,5,0.365,0.64,1.0,0.3746059214584333,0.31126207936399153,0.16378246864505516,0.17491947090672333,0.25614248509355086
EOS-2-04900,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2C)cn1,CTKDAUJMWLGIBH-UHFFFAOYSA-N,2,1,0.447,65,569,447.89,2.96,5,0.391,0.65,0.993,0.37693612500856694,0.3403039544924954,0.20335309437324378,0.20575183332191077,0.2815862517990542
EOS-2-04901,CCn1cc(-c2cnc(Cl)c(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,LGQDLSRNUGDXTO-UHFFFAOYSA-N,2,1,0.427,20,658,447.89,3.135,5,0.35,0.63,1.0,0.36764101158248236,0.4072544719347543,0.18949181001987528,0.1858937015968748,0.2875702487834967
EOS-2-04902,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nn2C)cn1,AQYRCVFUOVAMFX-UHFFFAOYSA-N,2,1,0.438,31,477,447.89,2.96,5,0.391,0.59,0.999,0.3949952025221027,0.3305804948255774,0.13006305256665068,0.14842197244876978,0.25101518059077516
EOS-2-04903,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)n(C)n1,NLOWFQKLEZYWIE-UHFFFAOYSA-N,2,1,0.489,87,304,447.89,2.96,5,0.391,0.65,0.999,0.5127218833527517,0.5906123637858954,0.08554074429442807,0.10961380302926461,0.32462219861558494
EOS-2-04904,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ccn2)c(C)n1,RKGJSWOABYKVQC-UHFFFAOYSA-N,2,1,0.473,92,329,447.89,3.401,5,0.364,0.64,1.0,0.312821259680625,0.37422040984168325,0.14805359468165308,0.12140189157699952,0.2391242889452402
EOS-2-04905,CCc1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1nccn1C,AVKFJEKNTPCFES-UHFFFAOYSA-N,2,1,0.343,31,690,447.89,3.172,5,0.365,0.62,0.717,0.4099102186279213,0.44340689466109245,0.06556267562195874,0.07087416900829278,0.24743848947981634
EOS-2-04906,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,ZBGLCWGYLWPHDF-UHFFFAOYSA-N,2,1,0.49,65,908,447.89,3.135,5,0.35,0.64,1.0,0.5334538414090878,0.542294907819889,0.1572287711603043,0.18874648756082515,0.35543100198752653
EOS-2-04907,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nn2C)cn1,BVMGCWXHGNKYDJ-UHFFFAOYSA-N,2,1,0.442,31,477,447.89,2.96,5,0.391,0.63,1.0,0.39052326776780205,0.3353865396477281,0.1270217942567336,0.13880988280446852,0.24793537111918304
EOS-2-04908,CCn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccn1,SUOXLYSZMKCIJO-UHFFFAOYSA-N,2,1,0.511,75,359,447.89,3.135,5,0.35,0.69,1.0,0.43261256939209103,0.3742289767664999,0.1129720375573984,0.14614317044753616,0.2664891885408814
EOS-2-04909,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,PWPYNDISTYAZIZ-UHFFFAOYSA-N,2,1,0.375,31,211,447.89,3.135,5,0.374,0.73,0.985,0.33989274210129533,0.24480844356109932,0.1540847097525872,0.16412514563772188,0.22572776026317595
EOS-2-04910,CCn1nc(C)nc1-c1cccc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)c1,XBWKGDPJDMQUPK-UHFFFAOYSA-N,2,1,0.479,36,931,447.89,3.401,5,0.364,0.67,1.0,0.2565022959358509,0.3883301350147351,0.06982043725584264,0.0767253786580769,0.19784456171612638
EOS-2-04911,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)n(C)n1,AJEABRITZRHVQI-UHFFFAOYSA-N,2,1,0.511,87,579,447.89,2.96,5,0.391,0.68,1.0,0.5358354465081214,0.5999417449112466,0.08301350147351107,0.10318860941676376,0.3304948255774107
EOS-2-04912,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)ccn1,ZNDZESNFOFCGJS-UHFFFAOYSA-N,2,1,0.439,31,624,447.89,3.135,5,0.374,0.65,1.0,0.4284833116304571,0.4212014255362895,0.16677232540607223,0.19147076965252552,0.3019819580563361
EOS-2-04913,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nn2C)n1,GXZVJBNCVRFJCW-UHFFFAOYSA-N,2,1,0.429,31,477,447.89,2.96,5,0.391,0.58,0.997,0.3791549585360839,0.3213967514221095,0.12185593859228291,0.14843053937358647,0.2427095469810157
EOS-2-04914,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)cn1,VIUUKRZIBJBCPI-UHFFFAOYSA-N,2,1,0.426,31,569,447.89,2.96,5,0.365,0.61,1.0,0.3927078335960524,0.32598862312384347,0.16995922143787265,0.17492803783153998,0.26589592899732717
EOS-2-04915,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)c1,CIJWCGZQYKFTRI-UHFFFAOYSA-N,2,1,0.461,15,931,447.89,3.135,5,0.374,0.61,1.0,0.3969998629292029,0.4121547529298883,0.06175039407854157,0.09689191967651292,0.2419492324035364
EOS-2-04916,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,XPUCKEREFHUAMR-UHFFFAOYSA-N,2,1,0.474,65,349,447.89,3.135,5,0.35,0.63,1.0,0.4466880268658762,0.4434154615859091,0.1998063874991433,0.23201802480981426,0.33048197519018574
EOS-2-04917,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)nn1C,UTDAJQLXFIVJLM-UHFFFAOYSA-N,2,1,0.5,15,931,447.89,2.96,5,0.391,0.63,1.0,0.4654324583647454,0.46981015694606265,0.054100130217257215,0.07088273593310945,0.26505637036529367
EOS-2-04918,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)ccn2)c(C)n1,HUDALAVDXRSPNG-UHFFFAOYSA-N,2,1,0.441,7,94,447.89,3.401,5,0.389,0.64,1.0,0.28614385580152146,0.3598279761496813,0.14504660407100267,0.1343379480501679,0.23133909601809333
EOS-2-04919,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)cn1,BCFGVRLORGANNM-UHFFFAOYSA-N,2,1,0.479,65,779,447.89,2.96,5,0.391,0.68,0.996,0.4326211363169077,0.4827804811184977,0.11016208621753136,0.11899458570351587,0.2861395723391132
EOS-2-04920,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,VMLJSWWRFXSDIG-UHFFFAOYSA-N,2,1,0.461,15,931,447.89,3.135,5,0.374,0.68,1.0,0.4753786580768967,0.47413645397847987,0.08061476252484408,0.11450551709958193,0.28615884791995067
EOS-2-04921,Cc1ccnc(-c2c(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cnn2C)n1,AZCYLVHXLDOYFY-UHFFFAOYSA-N,2,1,0.5,31,779,447.89,2.96,5,0.391,0.64,1.0,0.45618017956274415,0.42555342334315677,0.08302206839832774,0.10517613597423069,0.2674829518196148
EOS-2-04922,CCn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccn1,HVCXRLKZDJYPRW-UHFFFAOYSA-N,2,1,0.511,75,359,447.89,3.135,5,0.35,0.64,1.0,0.4189911589335892,0.35983654307449797,0.11881468028236584,0.15353642656432048,0.2627947022136934
EOS-2-04923,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,XYVBHVTZXHLENT-UHFFFAOYSA-N,2,1,0.408,31,643,447.89,3.135,5,0.35,0.6,0.998,0.3838410664108012,0.30103317113289013,0.2495459529847166,0.25567987115345076,0.29752501542046467
EOS-2-04924,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)n(C)n1,NHZGXXKPWCCTKK-UHFFFAOYSA-N,2,1,0.511,75,359,447.89,2.96,5,0.391,0.63,0.979,0.4515626070865602,0.48750085669248167,0.08554931121924474,0.1145140840243986,0.28478171475567127
EOS-2-04925,CCc1nnc(C)n1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,MLQHEPFJNMHPFE-UHFFFAOYSA-N,2,1,0.517,36,404,447.89,3.265,5,0.39,0.68,1.0,0.5077787677335344,0.7246933040915633,0.050304982523473374,0.09895654855732985,0.3454334007264752
EOS-2-04926,Cc1ncncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)nn1C,DTLMSVKSALRFCC-UHFFFAOYSA-N,2,1,0.434,31,569,447.89,2.96,5,0.391,0.65,0.746,0.37916352546090054,0.3454012747584127,0.19627681447467618,0.21176581454321156,0.28315185730930026
EOS-2-04927,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nn1,RDHIIXXURPSGHL-UHFFFAOYSA-N,2,1,0.386,53,954,447.89,3.135,5,0.35,0.66,0.962,0.4143050510588719,0.35491912822973065,0.12186450551709958,0.15106915221712014,0.26053945925570554
EOS-2-04928,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1Cl,KQDDZVXWAGDHHS-UHFFFAOYSA-N,2,1,0.545,37,908,447.89,3.135,5,0.374,0.67,1.0,0.6474796107189363,0.7156551984099787,0.19981495442395997,0.2464361592762662,0.45234648070728534
EOS-2-04929,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ncn1,UAILUHFKKKSBEG-UHFFFAOYSA-N,2,1,0.398,31,194,447.89,3.135,5,0.374,0.6,0.58,0.43262970324172434,0.3112706462888082,0.1734373929134398,0.19685079843739292,0.2785471352203413
EOS-2-04930,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1nc(C)co1,GNHKWISYHTXDCJ-UHFFFAOYSA-N,2,1,0.456,4,690,447.886,4.34,5,0.378,0.59,0.696,0.49497978205743265,0.514932149955452,0.20336166129806044,0.19419505174422588,0.35186716126379275
EOS-2-04931,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ccnn1C,XLNQIUMMFYCAOB-UHFFFAOYSA-N,2,1,0.472,16,591,447.886,3.828,5,0.365,0.71,1.0,0.5462271263107394,0.48278904804331435,0.6595504077856212,0.5358782811322048,0.55611121581797
EOS-2-04932,COc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nn2C)cc1,PDIXMIFSCUQZON-UHFFFAOYSA-N,2,1,0.467,95,965,447.886,3.828,5,0.365,0.82,0.99,0.43060790898499074,0.3694400657939826,0.5580323487081077,0.48031320677129735,0.45959838256459457
EOS-2-04933,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cncn1C,BMSBUCUIVGYODN-UHFFFAOYSA-N,2,1,0.484,4,248,447.886,3.828,5,0.365,0.73,1.0,0.5813857857583442,0.49189568912343223,0.5937906928928792,0.4835515043519978,0.5376559180316633
EOS-2-04934,COc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)n(C)n4)n23)c1,ZWIBBJMYVLWPDQ-UHFFFAOYSA-N,2,1,0.484,95,965,447.886,3.828,5,0.39,0.78,1.0,0.3629720375573984,0.5015163456925502,0.5000942361729833,0.465106915221712,0.457422383661161
EOS-2-04935,COc1cc(C)n(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)n1,VNKKMSLCAYSYMJ-UHFFFAOYSA-N,2,1,0.566,4,32,447.886,3.921,5,0.389,0.74,1.0,0.41666095538345554,0.6914879035021588,0.4444349256390926,0.3861284353368515,0.48467805496538957
EOS-2-04936,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cncn1C,VIIORRMOJVIATI-UHFFFAOYSA-N,2,1,0.523,4,248,447.886,3.828,5,0.39,0.66,1.0,0.6187118771845658,0.5194897539579193,0.62435748063875,0.5159430470838188,0.5696255397162634
EOS-2-04937,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1O,AZHDLLZULFELSE-UHFFFAOYSA-N,2,1,0.54,15,626,447.886,3.567,5,0.397,0.58,1.0,0.6628658076896717,0.5612877801384415,0.5808974710437941,0.5256151052018367,0.582666541018436
EOS-2-04938,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)n[nH]c1=O,ITGOMUNSJFLUMM-UHFFFAOYSA-N,2,1,0.753,91,309,447.886,3.155,5,0.429,0.79,1.0,0.7238194777602632,0.6865704886573916,0.3896837091357686,0.45899869782742786,0.5647680933452128
EOS-2-04939,COc1ccc(-c2nn(C)cc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,GWLMHIXULWABMF-UHFFFAOYSA-N,2,1,0.593,16,32,447.886,3.828,5,0.39,0.77,1.0,0.5026643136179837,0.7063772188335276,0.5072904530189843,0.44298711534507573,0.5398297752038929
EOS-2-04940,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cn[nH]c1,MUBZAGJQSPOYFK-UHFFFAOYSA-N,2,1,0.505,35,619,447.886,3.86,5,0.404,0.67,1.0,0.8078353094373244,0.752270235076417,0.6730261805222397,0.6118840381056816,0.7112539407854156
EOS-2-04941,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cn[nH]c1,OTYTVUPVDPFZPS-UHFFFAOYSA-N,2,1,0.516,15,669,447.886,3.86,5,0.378,0.68,1.0,0.8153313686519087,0.7566393667329175,0.6759732026591735,0.5964293057364128,0.7110933109451031
EOS-2-04942,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4c(O)cccc4Cl)n23)cc1,VKMGYHNWTJMAJW-UHFFFAOYSA-N,2,1,0.506,43,520,447.886,4.008,5,0.419,0.63,1.0,0.7509337948050168,0.6815759714892742,0.4866184634363649,0.4986635597285998,0.6044479473648139
EOS-2-04943,Clc1ccc(-c2nnc3cncc(OCc4cccnc4OCCn4cccn4)n23)cc1,AXNKNYXQEKAKSE-UHFFFAOYSA-N,2,1,0.583,43,32,447.886,3.694,5,0.358,0.79,1.0,0.6102563223905147,0.6526026317593037,0.4007778767733534,0.3897693783839353,0.5133515523267768
EOS-2-04944,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cc[nH]n1,YCCHDHHYRPJKIG-UHFFFAOYSA-N,2,1,0.505,15,729,447.886,3.86,5,0.378,0.6,1.0,0.8634260845726818,0.7478325680213831,0.6269275580837502,0.5457816462202728,0.6959919642245219
EOS-2-04945,COc1cc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)c4)n23)ccc1Cl,MACNSNSWKGYAEL-UHFFFAOYSA-N,2,1,0.541,43,250,447.886,3.828,5,0.39,0.73,1.0,0.7655404016174354,0.7736532794188198,0.6066068124186142,0.5428003563840724,0.6721502124597354
EOS-2-04946,Cn1nc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1CO,QXHKMWFSFXGRFX-UHFFFAOYSA-N,2,1,0.458,72,55,447.886,3.312,5,0.398,0.7,1.0,0.470161400863546,0.5060054142964842,0.5778819135083271,0.5292389143992873,0.5208219107669112
EOS-2-04947,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ccn(C)n1,HOMRDJGLVOJSQA-UHFFFAOYSA-N,2,1,0.467,16,591,447.886,3.828,5,0.365,0.75,1.0,0.5591203481598246,0.5518641628401069,0.645346446439586,0.5190699746419025,0.5688502330203551
EOS-2-04948,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccnn1C,FDCPKKAKZYLTDJ-UHFFFAOYSA-N,2,1,0.489,16,591,447.886,3.828,5,0.39,0.69,1.0,0.587348365430745,0.45663422657802755,0.6453550133644027,0.5358868480570215,0.5563061133575492
EOS-2-04949,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)c4)n23)ccc1Cl,QCPIJWITNQLAER-UHFFFAOYSA-N,2,1,0.5,16,256,447.886,3.828,5,0.39,0.73,1.0,0.5813943526831609,0.6718867795216229,0.7361729833458982,0.6262679048728669,0.6539305051058872
EOS-2-04950,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cnn(C)c1,BLZXLHUSUZRGRK-UHFFFAOYSA-N,2,1,0.506,16,591,447.886,3.828,5,0.365,0.71,1.0,0.5873569323555616,0.5241330272085533,0.7001147967925434,0.5718079638133096,0.595853180042492
EOS-2-04951,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nccn1C,OOHYBYWJUDDVDJ-UHFFFAOYSA-N,2,1,0.489,16,375,447.886,3.828,5,0.39,0.72,1.0,0.7020423548762936,0.5149407168802687,0.5778904804331437,0.47438489479816326,0.5673146117469674
EOS-2-04952,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1nccn1C,IPEHFIFXTYRGEF-UHFFFAOYSA-N,2,1,0.5,16,375,447.886,3.828,5,0.365,0.76,1.0,0.6991981358371598,0.4787197587553972,0.5841786032485778,0.4621598930847783,0.5560640977314782
EOS-2-04953,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1nccn1C,YUASJEFAJRTMMX-UHFFFAOYSA-N,2,1,0.54,16,248,447.886,3.828,5,0.39,0.7,1.0,0.5410355698718388,0.5060139812213008,0.5347131793571379,0.4429956822698924,0.5061896031800425
EOS-2-04954,Cn1nc(-c2nnc3cncc(OCCc4cncc(O)c4)n23)cc1-c1ccc(Cl)cc1,JVDPGSJVTQNLEE-UHFFFAOYSA-N,2,1,0.511,95,835,447.886,3.567,5,0.424,0.73,1.0,0.44423788636830924,0.4566427935028442,0.4515797409361935,0.4894883832499486,0.4604872010143239
EOS-2-04955,Cn1nc(-c2ccc(Cl)nc2)cc1COc1cncc2nnc(-c3ccc(CO)cc3)n12,LTFCZDPWKNMXML-UHFFFAOYSA-N,2,1,0.528,89,22,447.886,3.312,5,0.398,0.77,1.0,0.6047392228085806,0.6142570762798986,0.6032999794393804,0.5556935782331575,0.5944974641902543
EOS-2-04956,COc1cc(-c2nnc3cncc(OCc4ccc(-n5nccc5C)cn4)n23)ccc1Cl,YKKUBZQKBBOJMA-UHFFFAOYSA-N,2,1,0.54,4,67,447.886,3.921,5,0.389,0.7,1.0,0.3492563909259132,0.5857891851141115,0.564783085463642,0.46216846000959494,0.4904992803783154
EOS-2-04957,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncco1,ZKZWKZNQQFKTPR-UHFFFAOYSA-N,2,1,0.484,49,690,447.886,4.074,5,0.367,0.58,0.376,0.6271759989034337,0.595187101637996,0.1766242889452402,0.19969501747652663,0.39967060174079916
EOS-2-04958,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1O,XOMUKBRWQJULDN-UHFFFAOYSA-N,2,1,0.5,16,55,447.886,4.008,5,0.392,0.59,1.0,0.5845384140908779,0.5015249126173669,0.6095109999314646,0.5358954149818381,0.5578674354053869
EOS-2-04959,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cncn1C,WGZXOCKGMUZXHN-UHFFFAOYSA-N,2,1,0.523,16,591,447.886,3.828,5,0.365,0.73,1.0,0.6992067027619766,0.4698187238708793,0.6759817695839901,0.5489428414776232,0.5984875094236173
EOS-2-04960,COCn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,GVYSXZRBKVFHKY-UHFFFAOYSA-N,2,1,0.547,4,32,447.886,3.886,5,0.373,0.68,1.0,0.48766362826399834,0.6914964704269755,0.6154650126790487,0.5780361181550271,0.5931653073812624
EOS-2-04961,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccn(C)n5)cn4)n23)ccc1Cl,ALORWUPHVZABTE-UHFFFAOYSA-N,2,1,0.547,4,67,447.886,3.828,5,0.39,0.69,1.0,0.5026728805428003,0.6815845384140908,0.6269361250085669,0.5125248440819683,0.5809295970118565
EOS-2-04962,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cnn(C)c1,AQEVRSBGJQGIAR-UHFFFAOYSA-N,2,1,0.477,16,83,447.886,3.828,5,0.365,0.68,1.0,0.5591289150846412,0.5805033925022274,0.7076622575560277,0.5843756425193612,0.6079175519155644
EOS-2-04963,COc1cc(-c2nnc3cncc(OCc4ccc(-c5nccn5C)cn4)n23)ccc1Cl,IUCJYUTYBWCNIX-UHFFFAOYSA-N,2,1,0.553,4,67,447.886,3.828,5,0.39,0.67,1.0,0.629823178671784,0.7293108765677473,0.5716194914673429,0.47143787266122955,0.6005478548420259
EOS-2-04964,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1O,QSECHXPUEHYQRJ-UHFFFAOYSA-N,2,1,0.484,15,639,447.886,3.567,5,0.397,0.66,1.0,0.7208124871496128,0.6376961825783017,0.5001028030978,0.4683452128024124,0.5817391714070317
EOS-2-04965,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cn(C)cn1,UKTIOPKODLYLTL-UHFFFAOYSA-N,2,1,0.467,16,591,447.886,3.828,5,0.365,0.71,1.0,0.687178740319375,0.5951956685628127,0.6595589747104379,0.5359039819066548,0.6194593413748201
EOS-2-04966,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccn(C)n1,FAFCNEIXKLWRLU-UHFFFAOYSA-N,2,1,0.523,4,224,447.886,3.828,5,0.39,0.66,1.0,0.4949883489822493,0.5423034747447056,0.5841871701733946,0.4743934617229799,0.5239681139058323
EOS-2-04967,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cncn5C)c4)n23)ccc1Cl,DERKWNNAKQJMFD-UHFFFAOYSA-N,2,1,0.484,16,67,447.886,3.828,5,0.39,0.68,1.0,0.7509423617298334,0.7015883078610102,0.710155232677678,0.6054502775683641,0.6920340449592214
EOS-2-04968,COc1cc(-c2nnc3cncc(Oc4ccc(-c5cnc(C)n5C)cn4)n23)ccc1Cl,CXSPUBYJYLRZFD-UHFFFAOYSA-N,2,1,0.409,13,412,447.886,4.35,5,0.395,0.79,1.0,0.6187204441093825,0.6572202042354877,0.5873140977314784,0.4493866081831266,0.5781603385648688
EOS-2-04969,COc1cc(-c2nnc3cncc(OCc4cc(-c5ccccn5)nn4C)n23)ccc1Cl,MIYFRKGQMYNYHD-UHFFFAOYSA-N,2,1,0.505,4,67,447.886,3.828,5,0.39,0.66,1.0,0.4802532382975807,0.7109519566856282,0.4725944075114797,0.4146819957508053,0.5196203995613734
EOS-2-04970,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nc(C)no5)cc4)n23)c1,RDADZSXEVWMZOK-UHFFFAOYSA-N,2,1,0.53,15,438,447.886,4.128,5,0.358,0.74,1.0,0.7827342197244876,0.720212802412446,0.34443321225412926,0.3190065793982592,0.5415967034473305
EOS-2-04971,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)cc1,LUBBAOBBKDWWCY-UHFFFAOYSA-N,2,1,0.58,43,372,447.886,3.828,5,0.39,0.81,1.0,0.7267664998971969,0.822519018573093,0.32615139469536014,0.34456171612637926,0.5549996573230073
EOS-2-04972,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5cnn(C)c5)c4)n23)ccc1Cl,XOFMYBPOOGYYKQ-UHFFFAOYSA-N,2,1,0.511,16,67,447.886,3.828,5,0.39,0.73,1.0,0.5677386745253924,0.6865790555822082,0.694709067233226,0.5843842094441779,0.6333527516962512
EOS-2-04973,COc1cc(-c2nnc3cncc(OCc4c(-c5ccccn5)ncn4C)n23)ccc1Cl,VBIYFAYPBUKBOE-UHFFFAOYSA-N,2,1,0.522,4,67,447.886,3.828,5,0.39,0.69,1.0,0.6386899458570352,0.7387944623397985,0.4184343088205058,0.38313857857583444,0.5447643238982934
EOS-2-04974,COc1cc(-c2nnc3cncc(OCc4cncc(-c5ccnn5C)c4)n23)ccc1Cl,WFWGOKSZSCPOJE-UHFFFAOYSA-N,2,1,0.494,16,67,447.886,3.828,5,0.39,0.67,1.0,0.5705828935645261,0.6526111986841203,0.6893461722979919,0.5813258172846275,0.6234665204578165
EOS-2-04975,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1O,ZIANOROUVJHPJD-UHFFFAOYSA-N,2,1,0.684,91,309,447.886,3.567,5,0.424,0.58,1.0,0.7144044273867453,0.7650949215269687,0.5681841546158591,0.5749263244465767,0.6556524569940375
EOS-2-04976,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cocn1,VILXSYACECKTAL-UHFFFAOYSA-N,2,1,0.691,91,955,447.882,4.73,5,0.356,0.73,1.0,0.9341888835583579,0.8071156877527242,0.757684531560551,0.7040127475841272,0.8007504626139401
EOS-2-04977,COc1cccc(-c2noc(C)c2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,AAMYLCFWCSZJCX-UHFFFAOYSA-N,2,1,0.578,1,709,447.882,4.996,5,0.362,0.8,1.0,0.9091905969433213,0.8655164142279488,0.6359570968405182,0.5993506270988965,0.7525036837776712
EOS-2-04978,COc1nc(-c2nnc3cncc(OCCc4ccoc4)n23)ccc1-c1ccccc1Cl,FENVEEWMQIYYMZ-UHFFFAOYSA-N,2,1,0.517,49,501,447.882,4.73,5,0.356,0.68,1.0,0.717531354944829,0.5241415941333699,0.6033085463641971,0.5843927763689946,0.6073435679528477
EOS-2-04979,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1ncco1,LFPWINOEYNRCEW-UHFFFAOYSA-N,2,1,0.691,91,955,447.882,4.73,5,0.356,0.7,1.0,0.9218096771982729,0.7522788020012336,0.7153467891165787,0.6497755465698033,0.7598027037214721
EOS-2-04980,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1cocn1,AYURZEHHOCYQPX-UHFFFAOYSA-N,2,1,0.692,91,955,447.882,4.73,5,0.356,0.71,1.0,0.9523850318689603,0.8536769241313138,0.771922760605853,0.7068998012473443,0.8212211294633679
EOS-2-04981,N#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ncn2)cn1,PXRIGWNUWWIPPM-UHFFFAOYSA-N,2,1,0.385,51,113,447.871,3.204,5,0.398,0.67,0.991,0.5758172846275101,0.5752347337399767,0.3933332191076691,0.392639298197519,0.48425613391816874
EOS-2-04982,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5scnc5Cl)n34)ncn2)cn1,PRHQRAUPGVXVPO-UHFFFAOYSA-N,2,1,0.406,46,238,447.871,3.204,5,0.398,0.62,0.85,0.5618446302515249,0.5518727297649236,0.32980090466726064,0.367341169213899,0.45271485847440207
EOS-2-04983,N#Cc1cc(-c2nnc3cncc(OCc4nc(-c5cnccn5)ns4)n23)ccc1Cl,DSVWUPWSQDMEGA-UHFFFAOYSA-N,2,1,0.494,7,540,447.871,3.204,5,0.398,0.67,1.0,0.5257693098485368,0.7478411349461997,0.2532125968062504,0.357309300253581,0.471033085463642
EOS-2-04984,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)cc1Cl,QOMBCPJUYGLQQF-UHFFFAOYSA-N,2,1,0.568,84,361,447.861,4.057,5,0.387,0.84,1.0,0.9421561236378589,0.939860187786992,0.762430607908985,0.7910098690973888,0.8588641971078061
EOS-2-04985,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cncc(-c4cncnc4)c3)n12,RFLUWPKRPFJUDZ-UHFFFAOYSA-N,2,1,0.529,2,884,447.861,4.057,5,0.387,0.72,1.0,0.7939825920087725,0.8740919059694332,0.8235470495510931,0.8392759235144952,0.8327243677609485
EOS-2-04986,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)ccn1,GOYBRDKFLRNESU-UHFFFAOYSA-N,2,1,0.524,35,76,447.861,4.057,5,0.362,0.67,1.0,0.8260314577479269,0.8336046192858612,0.7719313275306696,0.7797015283393873,0.8028172332259613
EOS-2-04987,Cc1ncc(F)cc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cn1,SAGGSZWZTUQGKF-UHFFFAOYSA-N,2,1,0.446,55,565,447.861,4.323,5,0.37,0.72,1.0,0.8611644164210814,0.8566839147419643,0.7487749297512165,0.7257470358440135,0.7980925741895688
EOS-2-04988,Fc1ccnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)c1,UEMPBNQDQOLAFA-UHFFFAOYSA-N,2,1,0.467,18,181,447.861,4.057,5,0.362,0.68,1.0,0.777028647796587,0.7063857857583442,0.6813018298951409,0.717942567336029,0.7206647076965254
EOS-2-04989,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cncc(-c4cncnc4)c3)n12,FIEGNOGLPZYSPY-UHFFFAOYSA-N,2,1,0.548,2,884,447.861,4.057,5,0.387,0.71,1.0,0.7968011102734562,0.8438677952162292,0.8023696114042903,0.8251661983414433,0.8170511788088548
EOS-2-04990,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,DNZLLYFGEWNYJZ-UHFFFAOYSA-N,2,1,0.602,75,166,447.861,4.057,5,0.387,0.66,1.0,0.8996470426975532,0.893024809814269,0.6703018984305393,0.7040213145089439,0.7917487663628263
EOS-2-04991,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)ccn4)n23)c1,UGMGSZRRTWGEOF-UHFFFAOYSA-N,2,1,0.467,18,181,447.861,4.057,5,0.387,0.68,1.0,0.7509509286546501,0.7109605236104448,0.670310465355356,0.7153210883421287,0.7118857514906449
EOS-2-04992,Cc1cc(-c2nnc3cncc(OCc4ccnc(-c5cnc(F)cn5)c4)n23)ccc1Cl,PEUFMDGIMAHWHD-UHFFFAOYSA-N,2,1,0.517,24,109,447.861,4.323,5,0.396,0.76,1.0,0.8699112466588993,0.9242769515454733,0.7788277020080872,0.7651548900006854,0.8345426975532864
EOS-2-04993,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)ccc1Cl,MNPQPNAXXNFSEW-UHFFFAOYSA-N,2,1,0.671,84,884,447.861,4.057,5,0.387,0.77,1.0,0.8499246110616133,0.8715475292988829,0.8407323007333287,0.8431310396819958,0.8513338701939552
EOS-2-04994,Fc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cnc(Cl)nc1,AHCKGQYGWNRDQV-UHFFFAOYSA-N,2,1,0.633,35,4,447.861,4.057,5,0.362,0.76,1.0,0.9475789870468097,0.9595812487149613,0.7834538414090878,0.7723939414707697,0.865752004660407
EOS-2-04995,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cncnc1,ZFRHYIKNDKEUES-UHFFFAOYSA-N,2,1,0.595,35,215,447.861,4.057,5,0.362,0.65,1.0,0.9531303543280104,0.9575337536837777,0.8163936673291755,0.8213110821739429,0.8870922143787267
EOS-2-04996,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ncn2)cn1,WKEAPQDEFHLGRC-UHFFFAOYSA-N,2,1,0.435,44,488,447.861,4.323,5,0.396,0.76,0.999,0.7509594955794668,0.7156637653347955,0.7624391748338016,0.7624905763827017,0.7478882530326915
EOS-2-04997,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nn1,GWNXHKQZAIIFBK-UHFFFAOYSA-N,2,1,0.547,19,691,447.861,4.057,5,0.362,0.76,1.0,0.8742375436913166,0.8598451099993146,0.6481478308546365,0.7257556027688301,0.7769965218285244
EOS-2-04998,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cnn2)c1,FZJPTWZBFQUCPC-UHFFFAOYSA-N,2,1,0.573,19,669,447.861,4.057,5,0.362,0.62,1.0,0.8384106641080118,0.890189157699952,0.7179340004112124,0.7747412788705367,0.8053187752724282
EOS-2-04999,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ncn2)cn1,JTEHWLOXOCEQHI-UHFFFAOYSA-N,2,1,0.436,44,488,447.861,4.323,5,0.396,0.67,0.99,0.7299790967034473,0.7202213693372627,0.7855698718388048,0.7771485847440203,0.7532297306558837
EOS-2-05000,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)cc1Cl,UVUTWEUBVKUHBR-UHFFFAOYSA-N,2,1,0.711,75,166,447.861,4.057,5,0.387,0.73,1.0,0.9432955246384758,0.8686005071619491,0.6947176341580427,0.712656774724145,0.8048176101706532
EOS-2-05001,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)nc1-c1ccccn1,VEYYNRZSBDFORN-UHFFFAOYSA-N,2,1,0.478,18,429,447.861,4.057,5,0.387,0.77,0.988,0.8208056336097594,0.8147659516140087,0.5448392844904393,0.6206994037420328,0.7002775683640601
EOS-2-05002,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)n1,HDYHFNMFCKTXDS-UHFFFAOYSA-N,2,1,0.529,43,630,447.861,4.323,5,0.396,0.78,1.0,0.8181498869165924,0.8225275854979097,0.7285227194846138,0.74966588993215,0.7797165204578165
EOS-2-05003,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)c1,CYHHHTQQXXJGTG-UHFFFAOYSA-N,2,1,0.506,19,752,447.861,4.057,5,0.387,0.75,1.0,0.8025409499006236,0.8566924816667809,0.7076708244808444,0.7471043794119663,0.7785021588650538
EOS-2-05004,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)cn1,WGJMETCADVQWHT-UHFFFAOYSA-N,2,1,0.662,24,294,447.861,4.323,5,0.396,0.76,1.0,0.8801230210403673,0.8336131862106778,0.7788362689329038,0.7599461997121513,0.813129668974025
EOS-2-05005,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1,ZVULNMAZYYMAHD-UHFFFAOYSA-N,2,1,0.548,72,889,447.861,4.057,5,0.387,0.74,1.0,0.9695959838256459,0.959589815639778,0.7026420396134604,0.7283342471386471,0.8400405215543829
EOS-2-05006,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cnn2)cc1,VQTJMHSAJRFZBB-UHFFFAOYSA-N,2,1,0.495,72,639,447.861,4.057,5,0.362,0.59,1.0,0.7448598451099994,0.895449249537386,0.6510091837434034,0.7257641696936468,0.7542706120211089
EOS-2-05007,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cncnc1,YHDALBFTIQWOOL-UHFFFAOYSA-N,2,1,0.558,37,215,447.861,4.057,5,0.387,0.69,1.0,0.9284404770063738,0.9413593996299089,0.7600490028099514,0.7841905969433213,0.8535098690973888
EOS-2-05008,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2F)cn1,NVKDIKPVZHJQLZ-UHFFFAOYSA-N,2,1,0.536,16,716,447.861,4.323,5,0.396,0.68,1.0,0.9421646905626756,0.9069546295661709,0.8164022342539922,0.8000993763278733,0.866405232677678
EOS-2-05009,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cncnc1,MZUNLRHCDSLSSI-UHFFFAOYSA-N,2,1,0.523,37,215,447.861,4.057,5,0.362,0.71,1.0,0.9206617092728394,0.9356623946268248,0.7338513467205812,0.7624991433075183,0.838168648481941
EOS-2-05010,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)cn1,XQIJUPYLZSRANQ-UHFFFAOYSA-N,2,1,0.583,11,922,447.861,4.057,5,0.362,0.68,1.0,0.964772805153862,0.9566941950517442,0.707679391405661,0.7099153587828113,0.8347654375985196
EOS-2-05011,Fc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cncnc1,RRFAZDICQWKKCR-UHFFFAOYSA-N,2,1,0.545,37,215,447.861,4.057,5,0.387,0.64,1.0,0.9257847303132067,0.9385237475155918,0.764855047632102,0.7957730792954562,0.8562341511890892
EOS-2-05012,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)cc1,FGCYYRWAWFUHRP-UHFFFAOYSA-N,2,1,0.447,44,130,447.861,4.057,5,0.362,0.75,1.0,0.7855698718388048,0.7946850798437393,0.6095195668562813,0.6846086628743746,0.7185957953533
EOS-2-05013,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)ccc1Cl,WHVKCTAKIKDBDU-UHFFFAOYSA-N,2,1,0.725,84,360,447.861,4.057,5,0.387,0.78,1.0,0.9484699472277431,0.9585532177369611,0.6893547392228085,0.7040298814337606,0.8251019464053183
EOS-2-05014,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)ccc1F,OIBHKVCPOZPQOF-UHFFFAOYSA-N,2,1,0.448,73,196,447.861,4.323,5,0.396,0.74,1.0,0.7655489685422521,0.8302206839832773,0.6893633061476252,0.7014255362894936,0.7466396237406621
EOS-2-05015,CCOc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)n1,NRFQYPVIZJNHBO-UHFFFAOYSA-N,2,1,0.418,96,575,447.861,4.502,5,0.391,0.77,1.0,0.7655575354670687,0.8930333767390858,0.7258841066410802,0.7257727366184634,0.7775619388664246
EOS-2-05016,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccn1,VEPXRRCDLVICTR-UHFFFAOYSA-N,2,1,0.523,11,279,447.861,4.057,5,0.387,0.67,1.0,0.8564097731478308,0.8336217531354945,0.5969861558494962,0.6755362894935234,0.7406384929065862
EOS-2-05017,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)cn1,CVZULOLNPFWIMT-UHFFFAOYSA-N,2,1,0.512,73,716,447.861,4.323,5,0.396,0.69,1.0,0.8742461106161332,0.85054999657323,0.702650606538277,0.7040384483585772,0.7828712905215544
EOS-2-05018,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)cn1,IWVFGHUGVHVWQC-UHFFFAOYSA-N,2,1,0.465,73,210,447.861,4.323,5,0.396,0.74,1.0,0.8429682681104791,0.8686090740867658,0.689371873072442,0.6932441230895757,0.7735483345898156
EOS-2-05019,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)ccn1,NNUBBISREMVMBB-UHFFFAOYSA-N,2,1,0.512,35,76,447.861,4.057,5,0.362,0.71,1.0,0.8948923994243027,0.9385323144404085,0.7310927969296142,0.7340055513672812,0.8246307655404017
EOS-2-05020,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncncn5)cc4)n23)cc1Cl,CHUYWYZEHWQGGX-UHFFFAOYSA-N,2,1,0.789,91,781,447.861,4.057,5,0.387,0.74,1.0,0.9814097731478308,0.969827290795696,0.7983003221163731,0.7910184360222055,0.8851389555205262
EOS-2-05021,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4ncncn4)cc3)n12,KEJJSLYORJHNKV-UHFFFAOYSA-N,2,1,0.615,91,70,447.861,4.057,5,0.387,0.68,1.0,0.9792937427181139,0.9777516962511137,0.7788448358577205,0.7841991638681379,0.8800223596737715
EOS-2-05022,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nc1,ZSLHMMLSOAZXAM-UHFFFAOYSA-N,2,1,0.506,84,76,447.861,4.057,5,0.362,0.68,1.0,0.8949009663491193,0.8715560962236996,0.7338599136453978,0.7546604071002673,0.813744345829621
EOS-2-05023,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,LVMFBLOTVDGYHJ-UHFFFAOYSA-N,2,1,0.506,35,76,447.861,4.057,5,0.362,0.69,1.0,0.8654992803783154,0.862903502158865,0.7051607155095607,0.7367983688575149,0.792590466726064
EOS-2-05024,Fc1c(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)ccnc1Cl,OTAPREDJRJHSCR-UHFFFAOYSA-N,2,1,0.505,35,76,447.861,4.057,5,0.362,0.55,0.999,0.8285929682681105,0.8225361524227264,0.7051692824343774,0.720598314029196,0.7692241792886025
EOS-2-05025,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)nn1,NELLQCKOZGKRNE-UHFFFAOYSA-N,2,1,0.566,72,889,447.861,4.057,5,0.362,0.73,1.0,0.9717205811801796,0.9705726132547461,0.7208724556233295,0.7312555685011308,0.8486053046398465
EOS-2-05026,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cncnc1,BPSVZRGBUHUGFB-UHFFFAOYSA-N,2,1,0.56,35,494,447.861,4.057,5,0.387,0.69,1.0,0.9578935645260778,0.9575423206085943,0.8106195600027414,0.8292440545541773,0.8888248749228977
EOS-2-05027,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1cncnc1,NRSWPDQHBIHZAB-UHFFFAOYSA-N,2,1,0.59,35,494,447.861,4.057,5,0.362,0.71,1.0,0.961782948392845,0.9637362072510451,0.812641354259475,0.8193321225412926,0.8893731581111646
EOS-2-05028,Fc1cnccc1-c1ccnc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,MTOUIQQOEKNLGZ-UHFFFAOYSA-N,2,1,0.423,18,367,447.861,4.057,5,0.362,0.6,0.999,0.7238280446850799,0.662189020629155,0.6481563977794531,0.6986498526488931,0.6832058289356453
EOS-2-05029,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)ncn2)ccn1,QPUXYNMVLDZRPI-UHFFFAOYSA-N,2,1,0.489,44,488,447.861,4.345,5,0.382,0.72,0.992,0.647488177643753,0.5906209307107121,0.7128195462956617,0.7283428140634638,0.6698178671783976
EOS-2-05030,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)nn1,QDTJQIFZEHCUMP-UHFFFAOYSA-N,2,1,0.467,19,691,447.861,4.057,5,0.387,0.71,0.999,0.7770372147214036,0.7989000068535399,0.5809060379686107,0.6901857309300253,0.7117572476183949
EOS-2-05031,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccn2)cn1,MEPUSGVFNBLDNT-UHFFFAOYSA-N,2,1,0.494,59,332,447.861,4.323,5,0.396,0.78,1.0,0.865507847303132,0.8108508669727914,0.7739702556370365,0.762507710232335,0.8032091700363236
EOS-2-05032,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)ccc1Cl,SQKFPHIWNZSLQA-UHFFFAOYSA-N,2,1,0.605,18,181,447.861,4.057,5,0.387,0.72,1.0,0.762739017202385,0.7434206017407992,0.7556541703790007,0.7700980056199027,0.7579779487355218
EOS-2-05033,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)nc1Cl,VUWKWWJEYNNYHW-UHFFFAOYSA-N,2,1,0.506,11,846,447.861,4.057,5,0.362,0.72,1.0,0.8634346514974984,0.8686176410115825,0.6648104996230553,0.6846172297991913,0.770370005482832
EOS-2-05034,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cn2)cn1,SNLZEHAUPAHCMD-UHFFFAOYSA-N,2,1,0.483,4,526,447.861,4.323,5,0.396,0.76,1.0,0.729987663628264,0.8071242546775409,0.7026591734630937,0.6874700157631417,0.73181027688301
EOS-2-05035,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)c(Cl)c1,UMRRBOFDJGUTDR-UHFFFAOYSA-N,2,1,0.511,44,481,447.861,4.057,5,0.387,0.73,1.0,0.7386745253923651,0.729319443492564,0.6648190665478719,0.7179511342608458,0.7126910424234117
EOS-2-05036,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)ccc1Cl,APUOCWGUCWWCPA-UHFFFAOYSA-N,2,1,0.576,44,481,447.861,4.057,5,0.387,0.71,1.0,0.8153399355767253,0.7341340552395312,0.6893804399972586,0.7231084230004797,0.7404907134534987
EOS-2-05037,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)c1,SXFRDVTZRNVAHU-UHFFFAOYSA-N,2,1,0.524,18,752,447.861,4.057,5,0.387,0.68,1.0,0.6628743746144884,0.7202299362620793,0.7208810225481461,0.7521588650538003,0.7140360496196285
EOS-2-05038,Cc1ncccc1-c1cnnc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c1,BIVIIJULJIWJMQ-UHFFFAOYSA-N,2,1,0.553,59,294,447.861,4.323,5,0.396,0.68,0.999,0.7299962305530807,0.6915050373517923,0.7916609553834556,0.7935371119183058,0.7516748338016587
EOS-2-05039,Cc1ncc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(-c2ccc(F)cc2)n1,PJSHZLOJHMVKTH-UHFFFAOYSA-N,2,1,0.529,97,89,447.861,4.323,5,0.396,0.76,1.0,0.8564183400726475,0.8336303200603111,0.6703190322801728,0.7153296552669454,0.7689243369200192
EOS-2-05040,Cc1ncc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)c(-c2ccncc2)n1,QMOOAUYNKZGEKS-UHFFFAOYSA-N,2,1,0.465,59,877,447.861,4.323,5,0.396,0.74,0.999,0.7537437461448838,0.7566479336577342,0.6422709204304023,0.6697107806181893,0.7055933452128025
EOS-2-05041,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)cn1,DMGYIZVCMAJNRM-UHFFFAOYSA-N,2,1,0.662,59,577,447.861,4.323,5,0.396,0.75,1.0,0.9331351518059078,0.8567010485915976,0.8145432115687753,0.7864008635460216,0.8476950688780756
EOS-2-05042,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nn4)n23)c1,SOUMHKJSPVRDMA-UHFFFAOYSA-N,2,1,0.473,19,691,447.861,4.057,5,0.387,0.73,0.935,0.8078438763621411,0.8796861078747172,0.6033171132890138,0.7014341032143102,0.7480703001850456
EOS-2-05043,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)c(C)n1,GMTRUXQXBDAGQE-UHFFFAOYSA-N,2,1,0.467,13,110,447.861,4.845,5,0.389,0.72,1.0,0.6961311767527928,0.7293280104173806,0.697493317798643,0.6786546501267905,0.7004017887739017
EOS-2-05044,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)ccn2)cn1,VJGPVTPTGJKPLG-UHFFFAOYSA-N,2,1,0.512,59,577,447.861,4.323,5,0.396,0.78,1.0,0.8819820437255843,0.8071328216023577,0.802378178329107,0.7747498457953533,0.8165607223631005
EOS-2-05045,Cc1ncncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccn1,GXODJEVMLZEDJJ-UHFFFAOYSA-N,2,1,0.63,59,294,447.861,4.323,5,0.396,0.71,1.0,0.8981992324035364,0.8147745185388253,0.8126499211842917,0.7910270029470221,0.8291626687684188
EOS-2-05046,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)cn1,RVWGPMZICCQFAS-UHFFFAOYSA-N,2,1,0.512,59,577,447.861,4.323,5,0.396,0.7,1.0,0.8544650812144473,0.814783085463642,0.7983088890411898,0.7771571516688369,0.811178551847029
EOS-2-05047,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)cn1,ABYBKQVPZPXJSW-UHFFFAOYSA-N,2,1,0.662,59,577,447.861,4.323,5,0.396,0.75,1.0,0.9341974504831746,0.8567096155164142,0.814551778493592,0.7842077307929546,0.8474166438215338
EOS-2-05048,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2)cc1Cl,RROXURIVVNUBRG-UHFFFAOYSA-N,2,1,0.534,19,691,447.861,4.057,5,0.387,0.74,0.926,0.8475687067370297,0.822544719347543,0.6154735796038654,0.6874785826879584,0.7432663970940991
EOS-2-05049,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nn2)cc1,KCEPCHQYQULGLY-UHFFFAOYSA-N,2,1,0.473,19,691,447.861,4.057,5,0.387,0.69,0.935,0.7995425262147899,0.8567181824412309,0.6033256802138305,0.7040470152833939,0.7409083510383113
EOS-2-05050,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nn4)n23)nc1,DOPZOPACLWPTQS-UHFFFAOYSA-N,2,1,0.478,19,691,447.861,4.057,5,0.387,0.74,0.931,0.84993317798643,0.884851963539168,0.596994722774313,0.690194297854842,0.7554935405386882
EOS-2-05051,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nn1,SDTPBMIVZSFCML-UHFFFAOYSA-N,2,1,0.467,19,691,447.861,4.057,5,0.362,0.77,1.0,0.7655661023918854,0.8032006031115071,0.5413868137893222,0.64978411349462,0.6899844081968336
EOS-2-05052,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cnn1,NJZYWJSXYHTUKQ-UHFFFAOYSA-N,2,1,0.495,19,639,447.861,4.057,5,0.362,0.67,1.0,0.7740473579603866,0.8629120690836817,0.6269446919333836,0.7126653416489617,0.7441423651566035
EOS-2-05053,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cnn1,SQOVBFVSIXDOAD-UHFFFAOYSA-N,2,1,0.506,19,275,447.861,4.057,5,0.387,0.63,1.0,0.8078524432869577,0.8536854910561305,0.6595675416352547,0.7368069357823316,0.7644781029401687
EOS-2-05054,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)nn1,UWPYIEFTHILYNO-UHFFFAOYSA-N,2,1,0.449,59,332,447.861,4.323,5,0.396,0.7,1.0,0.690117195531492,0.7341426221643479,0.7624477417586183,0.7724025083955863,0.7397775169625112
EOS-2-05055,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)c2)cn1,VBMJRQYCNTULLQ-UHFFFAOYSA-N,2,1,0.429,46,160,447.861,4.323,5,0.396,0.75,1.0,0.7084075800150778,0.6964138852717429,0.7874117606743883,0.779710095264204,0.7429858303063532
EOS-2-05056,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,NDHLRDNPWIAXBI-UHFFFAOYSA-N,2,1,0.511,35,429,447.861,4.057,5,0.362,0.75,1.0,0.9178260571585224,0.9371187718456583,0.6947262010828593,0.7179597011856624,0.8169076828181756
EOS-2-05057,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)ccc1F,YVVXRIPANKHDDV-UHFFFAOYSA-N,2,1,0.518,24,786,447.861,4.323,5,0.396,0.7,1.0,0.7300047974778974,0.8302292509080941,0.6703275992049894,0.6610838873278048,0.7229113837296964
EOS-2-05058,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)n1,BQLWJCBJCBACOH-UHFFFAOYSA-N,2,1,0.675,84,73,447.861,4.057,5,0.362,0.72,1.0,0.8286015351929271,0.8598536769241313,0.6648276334726887,0.7126739085737783,0.7664891885408813
EOS-2-05059,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)nc1,FPNSUMQADSPBEI-UHFFFAOYSA-N,2,1,0.512,72,132,447.861,4.057,5,0.387,0.74,1.0,0.9354310876567747,0.9484956480021931,0.6033342471386471,0.6610924542526215,0.787088359262559
EOS-2-05060,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)ccc1Cl,BCOKCQOZTOISGM-UHFFFAOYSA-N,2,1,0.688,84,360,447.861,4.057,5,0.387,0.69,1.0,0.881990610650401,0.8741004728942499,0.7311013638544308,0.7443629634706326,0.8078888527174286
EOS-2-05061,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)cc1Cl,AKTVEMFSBKXRBL-UHFFFAOYSA-N,2,1,0.695,84,360,447.861,4.057,5,0.387,0.74,1.0,0.9484785141525598,0.9567027619765609,0.7462305530806662,0.765163456925502,0.8541438215338223
EOS-2-05062,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)c1,QFNVQMHIGKMQSW-UHFFFAOYSA-N,2,1,0.56,84,131,447.861,4.057,5,0.387,0.67,1.0,0.869919813583716,0.8741090398190665,0.7076879583304777,0.7419299568226989,0.7984116921389897
EOS-2-05063,Cc1nc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)ccc1F,MKMYIECWMITNGP-UHFFFAOYSA-N,2,1,0.44,34,207,447.861,4.323,5,0.396,0.75,1.0,0.6017236652731136,0.652619765608937,0.7026677403879104,0.7419385237475156,0.6747374237543691
EOS-2-05064,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1Cl,SPLCZKICSLVPCX-UHFFFAOYSA-N,2,1,0.489,11,700,447.861,4.057,5,0.362,0.76,1.0,0.8234699472277431,0.8848605304639846,0.4620485230621616,0.5557021451579741,0.6815202864779658
EOS-2-05065,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)cn4)n23)ccc1Cl,GRSZWWSQHBYCQU-UHFFFAOYSA-N,2,1,0.548,73,82,447.861,4.323,5,0.396,0.76,1.0,0.8050681927215406,0.9109468165307382,0.7076965252552944,0.706908368172161,0.7826549756699336
EOS-2-05066,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)cn1,OIKMFABLPKHIOX-UHFFFAOYSA-N,2,1,0.543,2,76,447.861,4.057,5,0.362,0.71,1.0,0.8564269069974642,0.8901977246247686,0.7719398944554863,0.7797186621890206,0.8245707970666849
EOS-2-05067,Fc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)c1,CMWPTDDNHYMZSX-UHFFFAOYSA-N,2,1,0.523,2,419,447.861,4.057,5,0.362,0.72,1.0,0.8429768350352957,0.8686262079363991,0.7672966212048523,0.7888767048180385,0.8169440922486464
EOS-2-05068,Fc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)c1,ATZDFRLBISEIHT-UHFFFAOYSA-N,2,1,0.511,2,419,447.861,4.057,5,0.362,0.71,1.0,0.8655164142279488,0.8930419436639024,0.767305188129669,0.7888852717428552,0.8286872044410938
EOS-2-05069,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,ITEYHFLETHAOFO-UHFFFAOYSA-N,2,1,0.511,2,419,447.861,4.057,5,0.362,0.71,1.0,0.8634432184223151,0.8930505105887191,0.7695497224316359,0.7888938386676718,0.8287343225275854
EOS-2-05070,Cc1ncnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)n1,MWERMLOLUAEKIR-UHFFFAOYSA-N,2,1,0.675,43,337,447.861,4.323,5,0.396,0.76,1.0,0.959898224933178,0.9069631964909876,0.760057569734768,0.7443715303954492,0.8428226303885957
EOS-2-05071,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)c1,QXBFPWFPDKOUCM-UHFFFAOYSA-N,2,1,0.588,84,672,447.861,4.057,5,0.387,0.65,1.0,0.8564354739222808,0.8875505448564184,0.7959444177917895,0.8108851346720581,0.8377038928106367
EOS-2-05072,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccnc(-c4cncnc4)c3)n12,IFSYQZWCDGWCCY-UHFFFAOYSA-N,2,1,0.588,84,672,447.861,4.057,5,0.387,0.69,1.0,0.8564440408470976,0.8902062915495854,0.7959529847166061,0.8086320334452745,0.8378088376396409
EOS-2-05073,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cncc(-c4cnccn4)c3)n12,VXTVQYZKQFNNBE-UHFFFAOYSA-N,2,1,0.548,2,858,447.861,4.057,5,0.387,0.62,1.0,0.815348502501542,0.8505585634980467,0.7511394010006168,0.7818175587691042,0.7997160064423274
EOS-2-05074,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)ccc1Cl,HHEWLNCZFBTMEU-UHFFFAOYSA-N,2,1,0.671,84,858,447.861,4.057,5,0.387,0.65,1.0,0.8587571105475978,0.8848690973888013,0.7983174559660065,0.8044171064354739,0.8365901925844699
EOS-2-05075,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)cc1Cl,PPMMZLNKMQXLHO-UHFFFAOYSA-N,2,1,0.671,84,858,447.861,4.057,5,0.387,0.66,1.0,0.8564526077719142,0.884877664313618,0.7983260228908231,0.8044256733602906,0.8360204920841614
EOS-2-05076,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cncc(-c4cnccn4)c3)n12,GYLOOLXTUSFRBR-UHFFFAOYSA-N,2,1,0.529,2,858,447.861,4.057,5,0.387,0.58,1.0,0.8309574395175108,0.879694674799534,0.7788534027825372,0.7979919128229731,0.8218743574806389
EOS-2-05077,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cnc1Cl,OZIKGQNDPYBRCE-UHFFFAOYSA-N,2,1,0.522,35,76,447.861,4.057,5,0.362,0.7,1.0,0.9192910013021726,0.9385408813652252,0.7128281132204783,0.7206068809540127,0.8228167192104723
EOS-2-05078,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccn1,UUPXNIGXIDXJJH-UHFFFAOYSA-N,2,1,0.517,11,132,447.861,4.057,5,0.387,0.72,1.0,0.887636214104585,0.8629206360084984,0.5905009937632787,0.6726235350558564,0.7534203447330546
EOS-2-05079,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)c1,VDBYIWBKLCRBSS-UHFFFAOYSA-N,2,1,0.517,35,76,447.861,4.057,5,0.362,0.71,1.0,0.9206702761976561,0.9452145157974093,0.7208895894729628,0.7419470906723322,0.8321803680350901
EOS-2-05080,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)n1,LTUBWSAYTIBDHH-UHFFFAOYSA-N,2,1,0.633,59,294,447.861,4.323,5,0.396,0.72,1.0,0.9013261599616201,0.897719484613803,0.7673137550544856,0.7546689740250839,0.8302570934137482
EOS-2-05081,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)cn1,WPTWBWITBGVBLB-UHFFFAOYSA-N,2,1,0.429,46,160,447.861,4.323,5,0.396,0.71,1.0,0.7053406209307107,0.6865876225070249,0.7895706257281886,0.77475841272017,0.7390643204715235
EOS-2-05082,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)cn1,MGRCFEMKBGUADH-UHFFFAOYSA-N,2,1,0.511,75,525,447.861,4.057,5,0.362,0.74,1.0,0.9232660544171064,0.9045987252415872,0.7338684805702145,0.7521674319786169,0.8284751730518812
EOS-2-05083,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cn1,SYQWSTMRYIUENQ-UHFFFAOYSA-N,2,1,0.562,75,525,447.861,4.057,5,0.362,0.72,1.0,0.9284490439311904,0.9186570488657392,0.7361815502707149,0.7393427455280652,0.8306575971489274
EOS-2-05084,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)c1,OESJCWPSWXRGDA-UHFFFAOYSA-N,2,1,0.535,75,429,447.861,4.057,5,0.387,0.71,1.0,0.8965201151394695,0.8797032417243507,0.7258926735658968,0.759954766636968,0.8155176992666713
EOS-2-05085,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)ccn2)cn1,LWJCCYKAJJZHKR-UHFFFAOYSA-N,2,1,0.524,75,525,447.861,4.057,5,0.362,0.62,1.0,0.9270612021108903,0.9150332396682886,0.705177849359194,0.7257813035432801,0.8182633986704133
EOS-2-05086,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)c1,FBWQJMOLSJNJRE-UHFFFAOYSA-N,2,1,0.511,75,525,447.861,4.057,5,0.362,0.74,1.0,0.9257932972380234,0.9186656157905558,0.7311099307792475,0.7496744568569667,0.8313108251661984
EOS-2-05087,Fc1ccc(CCOc2cncc3nnc(-c4cccnc4-c4cccnn4)n23)c(Cl)c1,SCLGBQQRGMQHID-UHFFFAOYSA-N,2,1,0.557,19,386,447.861,4.057,5,0.387,0.69,0.997,0.8234785141525598,0.8930590775135357,0.6453635802892194,0.715338222191762,0.7693098485367692
EOS-2-05088,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cn1,CQQYIZIYXLLUNA-UHFFFAOYSA-N,2,1,0.649,59,294,447.861,4.323,5,0.396,0.79,1.0,0.894909533273936,0.9089507230484545,0.7719484613803029,0.7521759989034337,0.8319961791515317
EOS-2-05089,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cn2)cn1,HBFWKRXDPODPSM-UHFFFAOYSA-N,2,1,0.5,55,109,447.861,4.323,5,0.396,0.71,1.0,0.8128726612295251,0.8741176067438832,0.7511479679254335,0.7471129463367829,0.7963127955589062
EOS-2-05090,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)ccc1F,BSIOINIZIUPATM-UHFFFAOYSA-N,2,1,0.566,24,912,447.861,4.323,5,0.396,0.72,1.0,0.6871873072441916,0.7202385031868961,0.6785175793297238,0.669719347543006,0.6889156843259544
EOS-2-05091,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)cn1,RCJMGGFRRNPZIY-UHFFFAOYSA-N,2,1,0.537,35,76,447.861,4.057,5,0.362,0.78,1.0,0.9384209444177918,0.957550887533411,0.7259012404907135,0.7312641354259475,0.8382843019669659
EOS-2-05092,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,MXJXMUGSDIVRBL-UHFFFAOYSA-N,2,1,0.453,11,503,447.861,4.057,5,0.362,0.72,0.998,0.7208210540744294,0.72470187101638,0.615482146528682,0.6581282982660545,0.6797833424713865
EOS-2-05093,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,ZITQFFUMIVZONZ-UHFFFAOYSA-N,2,1,0.442,11,157,447.861,4.057,5,0.362,0.76,1.0,0.6689311904598725,0.7293365773421973,0.6392981975190186,0.6786632170516071,0.6790572955931738
EOS-2-05094,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)cn1,HSPJXBKRXUKWGW-UHFFFAOYSA-N,2,1,0.593,4,716,447.861,4.323,5,0.396,0.68,1.0,0.7883798231786718,0.8438763621410459,0.7788619697073539,0.7701065725447194,0.7953061818929478
EOS-2-05095,Cc1nc(-c2ccnc(F)c2)ccc1-c1nnc2cncc(OCc3cccnc3Cl)n12,BTSQTWICADRQPQ-UHFFFAOYSA-N,2,1,0.444,97,278,447.861,4.323,5,0.37,0.68,0.991,0.8050767596463574,0.7694212185593859,0.692207525186759,0.6902028647796586,0.7392270920430403
EOS-2-05096,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cn1,XORWOCSDOXBLBP-UHFFFAOYSA-N,2,1,0.537,35,76,447.861,4.057,5,0.362,0.73,1.0,0.9364334178603249,0.94958364745391,0.7259098074155301,0.7312727023507641,0.8357998937701323
EOS-2-05097,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cn1,UZTQNBDAQCTVOE-UHFFFAOYSA-N,2,1,0.522,35,76,447.861,4.057,5,0.362,0.76,1.0,0.9320899869782743,0.9425759029538757,0.7232711945719964,0.7443800973202659,0.835579295456103
EOS-2-05098,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cn1,GWKFWJVQMBJZBJ-UHFFFAOYSA-N,2,1,0.506,35,76,447.861,4.057,5,0.362,0.73,1.0,0.9342060174079913,0.945223082722226,0.6975018847234596,0.7040555822082105,0.8202466417654718
EOS-2-05099,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)c1,NDBKGPCSFYJSFD-UHFFFAOYSA-N,2,1,0.539,2,429,447.861,4.057,5,0.387,0.75,1.0,0.9206788431224727,0.9440836817216092,0.717942567336029,0.7521845658282503,0.8337224145020903
EOS-2-05100,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)c1,GJFVHCRAVWSWGH-UHFFFAOYSA-N,2,1,0.522,35,76,447.861,4.057,5,0.362,0.78,1.0,0.9354396545815914,0.9506716469056268,0.7208981563977794,0.7419556575971489,0.8372412788705366
EOS-2-05101,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccc(Cl)n5)nn4)n23)cc1,IBSKYSCCSFGZAZ-UHFFFAOYSA-N,2,1,0.583,19,268,447.861,4.057,5,0.362,0.75,0.999,0.9547495031183606,0.97467617024193,0.5515900212459736,0.6468799259817696,0.7819739051470085
EOS-2-05102,Fc1cc(-c2cnccn2)cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,SWMQCWJQCRCMGS-UHFFFAOYSA-N,2,1,0.534,87,141,447.861,4.057,5,0.387,0.61,1.0,0.7939911589335892,0.8404667260640121,0.694734768007676,0.7312812692755808,0.7651184805702145
EOS-2-05103,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,JLMNLCQJGFOWHJ-UHFFFAOYSA-N,2,1,0.5,72,132,447.861,4.057,5,0.387,0.75,1.0,0.880131587965184,0.9206017407991227,0.6359656637653348,0.7040641491330272,0.7851907854156671
EOS-2-05104,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cccnc1,ZETMADGUGJBOAD-UHFFFAOYSA-N,2,1,0.529,72,132,447.861,4.057,5,0.387,0.81,1.0,0.8996556096223699,0.9224436296347063,0.6536477965869372,0.7153467891165787,0.797773456240148
EOS-2-05105,Fc1cc(-c2cncnc2)c(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cn1,VIOWFOPENLXEQP-UHFFFAOYSA-N,2,1,0.646,84,215,447.861,4.057,5,0.362,0.64,0.999,0.805085326571174,0.8629292029333151,0.7739788225618532,0.8065245699403742,0.8121294805016792
EOS-2-05106,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cnc1Cl,XFTLKWHDUIKRCL-UHFFFAOYSA-N,2,1,0.561,35,846,447.861,4.057,5,0.362,0.67,1.0,0.9547580700431773,0.9575594544582277,0.7438660818312659,0.7443886642450825,0.8501430676444384
EOS-2-05107,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)nc1,BDBLSCNHJUYNBU-UHFFFAOYSA-N,2,1,0.615,35,300,447.861,4.057,5,0.362,0.77,1.0,0.9755157288739634,0.9637447741758618,0.6730347474470564,0.6816530738126242,0.8234870810773764
EOS-2-05108,Cc1cc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccncc5)n4)n23)ccc1Cl,LNAGMBKAOCCWCW-UHFFFAOYSA-N,2,1,0.483,73,335,447.861,4.323,5,0.396,0.74,1.0,0.8153570694263587,0.9089592899732712,0.6648362003975054,0.687487149612775,0.7691599273524776
EOS-2-05109,Fc1ccc(-c2ccncc2-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)nc1,QWMAZWIBGUVDEO-UHFFFAOYSA-N,2,1,0.529,35,429,447.861,4.057,5,0.387,0.65,1.0,0.8309660064423274,0.8505671304228634,0.6947433349324926,0.7393513124528819,0.7789069460626413
EOS-2-05110,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)ccc1Cl,RQZIGFYGXBNORJ-UHFFFAOYSA-N,2,1,0.731,84,360,447.861,4.057,5,0.387,0.75,1.0,0.9374271811390583,0.9558203687204441,0.7576930984853677,0.7625162771571516,0.8533642313755054
EOS-2-05111,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncc(Cl)n5)nc4)n23)c1,BWAWCPWLUDVOGP-UHFFFAOYSA-N,2,1,0.6,84,56,447.861,4.057,5,0.387,0.66,1.0,0.9045473236926873,0.9495922143787267,0.6675433486395723,0.7069169350969776,0.8071499554519911
EOS-2-05112,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccnnc1,JANHOIQKWJNLBA-UHFFFAOYSA-N,2,1,0.59,35,202,447.861,4.057,5,0.362,0.69,1.0,0.9523935987937769,0.9669231032828456,0.8235556164759098,0.8333304776917277,0.8940506990610649
EOS-2-05113,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)cn1,AXBIETXTVKSMSP-UHFFFAOYSA-N,2,1,0.654,84,56,447.861,4.057,5,0.387,0.75,1.0,0.8949181001987526,0.9425844698786924,0.6785261462545404,0.7153553560413953,0.8078460180933451
EOS-2-05114,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cnn2)ccn1,APMDIHNQSHIIDK-UHFFFAOYSA-N,2,1,0.622,19,386,447.861,4.057,5,0.362,0.59,1.0,0.8333219107669111,0.8797118086491673,0.762456308683435,0.7980004797477898,0.8183726269618259
EOS-2-05115,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1Cl,QTQGBWFXBTZXSG-UHFFFAOYSA-N,2,1,0.731,84,360,447.861,4.057,5,0.387,0.77,1.0,0.9364419847851415,0.9567113289013776,0.7577016654101844,0.7651720238503187,0.8540067507367556
EOS-2-05116,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnccn1,JFSZEBAEHZXLEU-UHFFFAOYSA-N,2,1,0.602,35,669,447.861,4.057,5,0.362,0.67,1.0,0.9524021657185937,0.9537643067644438,0.757710232335001,0.767536495099719,0.8578532999794393
EOS-2-05117,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)ccc1Cl,AJVGIOGIYBQNDB-UHFFFAOYSA-N,2,1,0.605,19,691,447.861,4.057,5,0.387,0.74,0.968,0.8742546775409499,0.8473716674662464,0.642279487355219,0.6986584195737098,0.7656410629840313
EOS-2-05118,Fc1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1cncnc1,UHHDCAGZCZCKEW-UHFFFAOYSA-N,2,1,0.533,87,494,447.861,4.057,5,0.387,0.63,1.0,0.915204578164622,0.9462853813994928,0.7695582893564527,0.8022925090809403,0.858335189500377
EOS-2-05119,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cncnc1,JZROFVPKDJZEFO-UHFFFAOYSA-N,2,1,0.5,11,494,447.861,4.057,5,0.362,0.7,1.0,0.9137310670961551,0.9440922486464258,0.7386145569186485,0.770115139469536,0.8416382530326914
EOS-2-05120,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,OQEPETPGWKDZRF-UHFFFAOYSA-N,2,1,0.511,11,132,447.861,4.057,5,0.387,0.83,1.0,0.8655249811527654,0.9150418065931053,0.5778990473579604,0.6639966417654719,0.7556156192173258
EOS-2-05121,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cn2)cc1Cl,SABKACUKLNFPIQ-UHFFFAOYSA-N,2,1,0.544,11,132,447.861,4.057,5,0.387,0.8,1.0,0.8564611746967309,0.912985744637105,0.6785347131793571,0.7340141182920978,0.7954989377013229
EOS-2-05122,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)cn1,KHAVOASFOQBFOL-UHFFFAOYSA-N,2,1,0.542,4,418,447.861,4.323,5,0.396,0.69,1.0,0.7509680625042835,0.8071413885271743,0.7413217051607155,0.7368155027071482,0.7590616647248304
EOS-2-05123,Fc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4ccc(Cl)cc4)c3)n12,MOILEBJPDKAGEZ-UHFFFAOYSA-N,2,1,0.553,35,161,447.861,4.057,5,0.387,0.61,1.0,0.8655335480775821,0.9295370433829073,0.7556627373038174,0.8044342402851072,0.8387918922623534
EOS-2-05124,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cnn1,VLFONVFXZPNYGY-UHFFFAOYSA-N,2,1,0.575,19,386,447.861,4.057,5,0.362,0.68,1.0,0.8587656774724145,0.8930676444383524,0.7232797614968131,0.7797272291138373,0.8137100781303543
EOS-2-05125,Cc1cnc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c(-c2ccc(F)cc2)n1,RMKAVZWYHOTWNY-UHFFFAOYSA-N,2,1,0.472,4,162,447.861,4.323,5,0.396,0.76,1.0,0.6415084641217189,0.7109690905352615,0.5413953807141388,0.6234151189089164,0.6293220135700089
EOS-2-05126,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)nn1,QRXGMVVPILZFDW-UHFFFAOYSA-N,2,1,0.534,72,848,447.861,4.057,5,0.362,0.7,1.0,0.9524107326434104,0.9506802138304434,0.6243660475635666,0.6581368651908711,0.7963984648070729
EOS-2-05127,Fc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cccnn1,VXPANRCRJPWULQ-UHFFFAOYSA-N,2,1,0.544,72,490,447.861,4.057,5,0.387,0.74,1.0,0.9218182441230895,0.9341546158590912,0.6975104516482763,0.7471215132615996,0.8251512062230142
EOS-2-05128,Fc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccc(Cl)nn1,UFAYREGFVWPRFE-UHFFFAOYSA-N,2,1,0.598,72,275,447.861,4.057,5,0.387,0.72,1.0,0.952419299568227,0.9371273387704749,0.6359742306901515,0.6755448564183401,0.8002664313617984
EOS-2-05129,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)ccc1Cl,IUCINMUZFNNEEF-UHFFFAOYSA-N,2,1,0.695,84,360,447.861,4.057,5,0.387,0.72,1.0,0.9467565622644095,0.9527962442601604,0.7719570283051196,0.772411075320403,0.8609802275375231
EOS-2-05130,Fc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)c1,NDTLENNCXYOVHW-UHFFFAOYSA-N,2,1,0.517,2,419,447.861,4.057,5,0.387,0.7,1.0,0.7968096771982729,0.8369200191899115,0.7153553560413953,0.7572904530189843,0.7765938763621411
EOS-2-05131,Fc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)c1,OFUORYYFZYRAPH-UHFFFAOYSA-N,2,1,0.467,87,173,447.861,4.057,5,0.362,0.71,1.0,0.7883883901034885,0.8147916523884586,0.6866218902062915,0.7340226852169145,0.7559561544787883
EOS-2-05132,Fc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)c1,JZQNKICQAJVNDA-UHFFFAOYSA-N,2,1,0.505,87,307,447.861,4.057,5,0.362,0.6,1.0,0.7827427866493044,0.8741261736686999,0.7209067233225961,0.7546775409499006,0.7831133061476253
EOS-2-05133,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cncnc1,CSKRXGIGBIXVQT-UHFFFAOYSA-N,2,1,0.583,35,494,447.861,4.057,5,0.362,0.65,1.0,0.9570797066684943,0.9662977177712289,0.8197262010828593,0.8292526214789939,0.8930890617503942
EOS-2-05134,Fc1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1-c1cncnc1,NUCPDIQFQUFSCZ-UHFFFAOYSA-N,2,1,0.56,35,494,447.861,4.057,5,0.387,0.68,1.0,0.9364505517099582,0.9528048111849771,0.827187992598177,0.8431396066068124,0.8898957405249812
EOS-2-05135,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,FXUXJMKBBVXJJU-UHFFFAOYSA-N,2,1,0.505,87,307,447.861,4.057,5,0.362,0.62,1.0,0.7770457816462203,0.8686347748612158,0.7259183743403468,0.7599633335617847,0.7828905661023919
EOS-2-05136,Fc1nc(CCOc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)ccc1Cl,LITXBRHJWDMXSM-UHFFFAOYSA-N,2,1,0.5,11,747,447.861,4.057,5,0.362,0.56,0.522,0.8499417449112466,0.8567267493660475,0.5036666438215338,0.5589490096634911,0.6923210369405798
EOS-2-05137,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,ATTFCLVMPAKWAP-UHFFFAOYSA-N,2,1,0.489,72,132,447.861,4.057,5,0.387,0.73,1.0,0.8309745733671441,0.8536940579809471,0.5841957370982113,0.6524998286615037,0.7303410492769515
EOS-2-05138,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)n1,UBGGJJBQPHXDBT-UHFFFAOYSA-N,2,1,0.506,16,772,447.861,4.323,5,0.396,0.63,1.0,0.9013347268864369,0.8537026249057639,0.7695668562812693,0.7675450620245357,0.8230373175245014
EOS-2-05139,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)nc3)n12,BOSAQTHEMRTDHM-UHFFFAOYSA-N,2,1,0.553,84,749,447.861,4.057,5,0.387,0.71,1.0,0.9123089575765883,0.9385494482900418,0.7232883284216298,0.7496830237817833,0.8309574395175109
EOS-2-05140,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cncc(-c4ccncn4)c3)n12,MXJNIYDSFAWINX-UHFFFAOYSA-N,2,1,0.547,84,749,447.861,4.057,5,0.387,0.69,1.0,0.8564697416215475,0.8438849290658625,0.7673223219793023,0.7910355698718388,0.8146781406346377
EOS-2-05141,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)nc5)n4)n23)ccc1Cl,NKLMBIATCYGPOR-UHFFFAOYSA-N,2,1,0.478,16,401,447.861,4.323,5,0.37,0.74,1.0,0.7479268041943664,0.887559111781235,0.7648636145569186,0.7675536289493523,0.791975789870468
EOS-2-05142,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c1,QOBJYAZSIHEHMC-UHFFFAOYSA-N,2,1,0.534,84,672,447.861,4.057,5,0.387,0.72,1.0,0.9091991638681379,0.9485042149270098,0.7511565348502501,0.7701237063943527,0.8447459050099376
EOS-2-05143,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c(Cl)c1,SZSOMCBIFZEVNE-UHFFFAOYSA-N,2,1,0.57,84,56,447.861,4.057,5,0.387,0.71,1.0,0.8996641765471867,0.9441008155712426,0.7511651017750668,0.767562195874169,0.8406230724419164
EOS-2-05144,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)nc3)n12,UOEBNIGJHHTCQI-UHFFFAOYSA-N,2,1,0.534,84,672,447.861,4.057,5,0.387,0.71,1.0,0.9107669111095881,0.9506887807552601,0.7511736686998834,0.7675707627989857,0.8450500308409293
EOS-2-05145,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)cc1Cl,JERCRYNGVFXUFX-UHFFFAOYSA-N,2,1,0.695,84,360,447.861,4.057,5,0.387,0.75,1.0,0.9459598382564595,0.9537728736892606,0.7719655952299362,0.7747669796449866,0.8616163217051607
EOS-2-05146,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)nc3)n12,OHSYYGPMRHQUPC-UHFFFAOYSA-N,2,1,0.563,84,56,447.861,4.057,5,0.387,0.71,1.0,0.912317524501405,0.9398687547118086,0.7577187992598177,0.7651805907751353,0.8437714173120416
EOS-2-05147,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c1,SEMUJUOGSPKVJU-UHFFFAOYSA-N,2,1,0.568,84,524,447.861,4.057,5,0.387,0.63,1.0,0.8721557809608663,0.9385580152148585,0.7386231238434652,0.757299019943801,0.8266589849907477
EOS-2-05148,Cc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c(-c2ccc(F)cn2)n1,SDSVHGKRTAIABY-UHFFFAOYSA-N,2,1,0.467,4,31,447.861,4.323,5,0.37,0.61,1.0,0.7144129943115619,0.8108594338976081,0.5716280583921596,0.5993591940237133,0.6740649201562607
EOS-2-05149,Cc1ccc(-c2nc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccc2F)cn1,YCQZPKUHEUHBKG-UHFFFAOYSA-N,2,1,0.478,44,267,447.861,4.323,5,0.396,0.7,1.0,0.6047477897333973,0.6915136042766089,0.6510177506682201,0.6667980261805222,0.6535192927146871
EOS-2-05150,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)ccn1,BIQNKCIBLVSLSR-UHFFFAOYSA-N,2,1,0.505,87,307,447.861,4.057,5,0.362,0.65,1.0,0.7565793982592008,0.8108680008224248,0.7209152902474127,0.7496915907066,0.7595135700089096
EOS-2-05151,Fc1cccnc1-c1ncccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,RUHPOCGQHDNDOP-UHFFFAOYSA-N,2,1,0.506,35,429,447.861,4.057,5,0.387,0.69,0.845,0.8587742443972312,0.8715646631485162,0.5515985881707902,0.6322561853197176,0.7285484202590639
EOS-2-05152,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4ccnc(Cl)c4)c3)n12,DBRRHZNICZIWRB-UHFFFAOYSA-N,2,1,0.558,75,496,447.861,4.057,5,0.362,0.67,1.0,0.8587828113220478,0.8505756973476801,0.7577273661846343,0.7675793297238024,0.8086663011445412
EOS-2-05153,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c1,CKKHAERYYTZWTF-UHFFFAOYSA-N,2,1,0.495,87,307,447.861,4.057,5,0.387,0.63,1.0,0.8406209307107121,0.8148002193132753,0.6422880542800357,0.7014426701391269,0.7497879686107876
EOS-2-05154,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccncn1,JMXJIIVJABWCMO-UHFFFAOYSA-N,2,1,0.581,35,669,447.861,4.057,5,0.362,0.67,1.0,0.967531354944829,0.954843739291344,0.7719741621547529,0.7771657185936536,0.8678787437461449
EOS-2-05155,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1-c1ccccn1,FHNXZTBBOMJCMG-UHFFFAOYSA-N,2,1,0.495,11,846,447.861,4.057,5,0.387,0.68,1.0,0.9092077307929546,0.9326468370913576,0.6033428140634638,0.666806593105339,0.7780009937632787
EOS-2-05156,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2F)n1,AIYHLYPTHKQANP-UHFFFAOYSA-N,2,1,0.511,4,71,447.861,4.323,5,0.396,0.72,1.0,0.7797529298882873,0.7989085737783566,0.6947519018573093,0.6846257967240079,0.7395098005619902
EOS-2-05157,Fc1cnccc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ncn1,PSYYSUFYIQWGAL-UHFFFAOYSA-N,2,1,0.619,44,130,447.861,4.057,5,0.387,0.67,0.998,0.7565879651840175,0.6964224521965595,0.7153639229662121,0.7701322733191693,0.7346266534164896
EOS-2-05158,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,RIENWEYQVHHCER-UHFFFAOYSA-N,2,1,0.471,18,157,447.861,4.057,5,0.362,0.7,1.0,0.8078610102117744,0.7989171407031732,0.7232968953464465,0.7393598793776985,0.7673587314097731
EOS-2-05159,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,XTNDOANFEMXCNE-UHFFFAOYSA-N,2,1,0.456,18,157,447.861,4.057,5,0.362,0.68,1.0,0.8451699677883627,0.7865636351175382,0.702676307312727,0.7206154478788294,0.7637563395243643
EOS-2-05160,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,URTJADSAIZSQFC-UHFFFAOYSA-N,2,1,0.432,18,157,447.861,4.057,5,0.362,0.72,1.0,0.7968182441230895,0.7908385306010555,0.7209238571722295,0.752193132753067,0.7651934411623603
EOS-2-05161,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c1,HFUFBDYKLOBANM-UHFFFAOYSA-N,2,1,0.44,18,840,447.861,4.057,5,0.387,0.71,1.0,0.765574669316702,0.7434291686656158,0.7153724898910288,0.7625248440819683,0.7467252929888287
EOS-2-05162,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)ccc1Cl,RLVPQPCOVMIDLC-UHFFFAOYSA-N,2,1,0.61,84,308,447.861,4.057,5,0.387,0.83,1.0,0.9013432938112536,0.8655249811527654,0.8023867452539236,0.8086406003700911,0.8444739051470084
EOS-2-05163,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)n1,SKXVVMTWWHKROW-UHFFFAOYSA-N,2,1,0.459,87,173,447.861,4.057,5,0.362,0.67,1.0,0.8025495168254403,0.8108765677472415,0.6422966212048523,0.6816616407374408,0.7343460866287438
EOS-2-05164,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c1,CYFLOURVWLXVRW-UHFFFAOYSA-N,2,1,0.536,54,752,447.861,4.057,5,0.387,0.7,1.0,0.8025580837502571,0.8225532862723597,0.673043314371873,0.7340312521417311,0.7580464841340553
EOS-2-05165,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nc1,IRMPUNXMAFJEDP-UHFFFAOYSA-N,2,1,0.459,87,173,447.861,4.057,5,0.362,0.7,1.0,0.8025666506750737,0.8148087862380919,0.6393067644438353,0.6846343636488246,0.7353291412514564
EOS-2-05166,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,DFQJLWLHCXNZNV-UHFFFAOYSA-N,2,1,0.554,46,181,447.861,4.323,5,0.396,0.72,1.0,0.7712031389212528,0.7063943526831609,0.7719827290795696,0.7573075868686177,0.7517219518881502
EOS-2-05167,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)n1,ACKZJEYNZHNQNP-UHFFFAOYSA-N,2,1,0.495,72,202,447.861,4.057,5,0.362,0.67,1.0,0.7968268110479062,0.8537111918305805,0.6838890411897746,0.7340398190665479,0.7671167157837023
EOS-2-05168,Fc1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1-c1cnccn1,YMMMNNKUBDRVLI-UHFFFAOYSA-N,2,1,0.566,35,161,447.861,4.057,5,0.387,0.65,1.0,0.954766636967994,0.9496007813035433,0.7788705366321705,0.80010794325269,0.8708364745390994
EOS-2-05169,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccnnc1,CKTCPUZBWOAEMH-UHFFFAOYSA-N,2,1,0.558,37,202,447.861,4.057,5,0.387,0.65,1.0,0.903005277225687,0.9398773216366253,0.7624648756082517,0.7910441367966554,0.8490979028168049
EOS-2-05170,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)c(Cl)c4)n23)c1,PXAKRWXHGHEIHJ-UHFFFAOYSA-N,2,1,0.545,37,202,447.861,4.057,5,0.387,0.63,1.0,0.8699283805085326,0.9309334521280241,0.7673308889041189,0.802301076005757,0.8426234493866083
EOS-2-05171,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccnnc1,CUASIXBADQFBBR-UHFFFAOYSA-N,2,1,0.523,72,202,447.861,4.057,5,0.362,0.66,1.0,0.8819991775752176,0.929545610307724,0.7361901171955315,0.770140840243986,0.8294689363306148
EOS-2-05172,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,PXYSUZDSBYRUCT-UHFFFAOYSA-N,2,1,0.522,11,141,447.861,4.057,5,0.362,0.64,0.96,0.8894609690905353,0.8741347405935166,0.5970032896991296,0.6468884929065862,0.751871873072442
EOS-2-05173,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)ccc1Cl,ABDDRAMZGJNSEF-UHFFFAOYSA-N,2,1,0.59,84,308,447.861,4.057,5,0.387,0.7,1.0,0.7883969570283051,0.7247104379411966,0.8084007264752244,0.8193406894661093,0.7852122027277089
EOS-2-05174,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccnnc1,XZOMFXHIFFAKFV-UHFFFAOYSA-N,2,1,0.602,35,202,447.861,4.057,5,0.362,0.69,1.0,0.940322801727092,0.9548523062161607,0.810628126927558,0.8193492563909259,0.8812881228154341
EOS-2-05175,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cc1Cl,SEONCCVBPMUNFE-UHFFFAOYSA-N,2,1,0.617,54,691,447.861,4.057,5,0.387,0.82,0.999,0.872164347885683,0.8567353162908642,0.707705092180111,0.7522016996778836,0.7972016140086354
EOS-2-05176,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2)c1,XXBUBERAVJXTEG-UHFFFAOYSA-N,2,1,0.473,18,529,447.861,4.057,5,0.362,0.77,1.0,0.8699369474333494,0.8741433075183332,0.7179511342608458,0.7471300801864162,0.8022903673497361
EOS-2-05177,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2)cc1,YKMBJWFSSUTAGB-UHFFFAOYSA-N,2,1,0.524,19,691,447.861,4.057,5,0.387,0.78,0.998,0.9060722363100542,0.8821533822219176,0.6536563635117538,0.7393684463025153,0.7953126070865603
EOS-2-05178,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2)cn1,RLDUPQZTZGNXPS-UHFFFAOYSA-N,2,1,0.494,18,959,447.861,4.057,5,0.362,0.74,1.0,0.8965286820642862,0.8875676787060517,0.7233054622712631,0.7340483859913646,0.8103625522582414
EOS-2-05179,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)nn1,WZLGGPQWOXAVFD-UHFFFAOYSA-N,2,1,0.646,59,294,447.861,4.323,5,0.396,0.74,1.0,0.8208142005345761,0.8225618531971763,0.7624734425330684,0.7599719004866013,0.7914553491878555
EOS-2-05180,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)n1,CPQIPEMROJCBAF-UHFFFAOYSA-N,2,1,0.5,24,912,447.861,4.323,5,0.37,0.71,1.0,0.8358834212870948,0.7015968747858269,0.7233140291960798,0.6874957165375917,0.7370725104516483
EOS-2-05181,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)c(Cl)c3)n12,WMIPZFWWSRMPSM-UHFFFAOYSA-N,2,1,0.571,35,161,447.861,4.057,5,0.387,0.68,1.0,0.929776917277774,0.942593036803509,0.7764375299842369,0.7935456788431224,0.8605882907271606
EOS-2-05182,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cccc(-c5nccnn5)c4)n23)c1,IAYNMXOSYIHLLV-UHFFFAOYSA-N,2,1,0.633,91,752,447.861,4.057,5,0.387,0.66,1.0,0.8406294976355287,0.915050373517922,0.7209324240970462,0.7573161537934343,0.8084821122609828
EOS-2-05183,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2)cn1,NUJQBYJZNXWHEJ-UHFFFAOYSA-N,2,1,0.467,11,529,447.861,4.057,5,0.362,0.7,1.0,0.7995510931396066,0.847380234391063,0.667551915564389,0.7014512370639435,0.7539836200397506
EOS-2-05184,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc2)cn1,FDRRSMWXRPDUJI-UHFFFAOYSA-N,2,1,0.462,11,529,447.861,4.057,5,0.362,0.71,1.0,0.7968353779727229,0.8473888013158797,0.6730518812966897,0.712682475498595,0.7574896340209718
EOS-2-05185,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc2)cn1,GNQAKGYIMAMNMJ-UHFFFAOYSA-N,2,1,0.446,11,529,447.861,4.057,5,0.362,0.78,1.0,0.7627475841272017,0.8302378178329107,0.6393153313686519,0.6755534233431567,0.7269635391679803
EOS-2-05186,Cc1cnc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(-c2ccc(F)cc2)n1,CERRLNPVKUAAQB-UHFFFAOYSA-N,2,1,0.472,46,772,447.861,4.323,5,0.396,0.77,1.0,0.7712117058460695,0.7388030292646152,0.5905095606880953,0.6668151600301556,0.6918348639572339
EOS-2-05187,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cnc1Cl,FDJUOPOOEJEBJJ-UHFFFAOYSA-N,2,1,0.5,19,691,447.861,4.057,5,0.362,0.71,0.889,0.8801401548900006,0.8336388869851278,0.5970118566239463,0.6668237269549723,0.7444036563635117
EOS-2-05188,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)ccc1Cl,YPZILMJVCWBAIT-UHFFFAOYSA-N,2,1,0.617,54,691,447.861,4.057,5,0.387,0.79,0.999,0.8742632444657665,0.8537197587553972,0.7077136591049277,0.7522102666027003,0.7969767322321979
EOS-2-05189,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)cc1,VVCNYABRUMSITC-UHFFFAOYSA-N,2,1,0.523,44,130,447.861,4.057,5,0.362,0.72,1.0,0.8742718113905832,0.8629377698581318,0.7077222260297443,0.757324720718251,0.8005641319991775
EOS-2-05190,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nn1,PXRNYHJBALTBTQ-UHFFFAOYSA-N,2,1,0.553,19,691,447.861,4.057,5,0.362,0.74,1.0,0.8876447810294017,0.8505842642724968,0.6328558700568844,0.7126910424234117,0.7709439894455486
EOS-2-05191,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nn2)cc1,FVZIFSIJIBLJKX-UHFFFAOYSA-N,2,1,0.554,19,691,447.861,4.057,5,0.362,0.74,1.0,0.9232746213419231,0.9089678568980879,0.6567747241450209,0.7257898704680967,0.8037017682132821
EOS-2-05192,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(Cl)c4)n23)c1,MLNHBNQEZAOUMO-UHFFFAOYSA-N,2,1,0.571,35,215,447.861,4.057,5,0.387,0.72,1.0,0.9258018641628402,0.9462939483243095,0.8042886025632239,0.8232129394832431,0.8748993386334041
EOS-2-05193,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cncnc1,LUCFQHZSMDJPLX-UHFFFAOYSA-N,2,1,0.602,35,215,447.861,4.057,5,0.362,0.7,1.0,0.9484870810773764,0.9567198958261942,0.8084092934000411,0.8131810705229251,0.8816993352066341
EOS-2-05194,Cc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)nc(C)n4)n23)cn1,XNNLVMRRGIADDL-UHFFFAOYSA-N,2,1,0.394,44,500,447.861,4.845,5,0.389,0.73,1.0,0.662882941539305,0.6915221712014256,0.7051864162840107,0.6932526900143924,0.6882110547597835
EOS-2-05195,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)cnc1Cl,MUHZHKWPQFJCML-UHFFFAOYSA-N,2,1,0.547,24,583,447.861,4.057,5,0.362,0.66,1.0,0.8930076759646357,0.8598622438489479,0.662394626824755,0.6755619902679734,0.772706634226578
EOS-2-05196,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)nc1,YJGFXHYQTGJSGW-UHFFFAOYSA-N,2,1,0.56,75,583,447.861,4.057,5,0.362,0.69,1.0,0.9394147076965252,0.8875762456308683,0.6866304571311083,0.7040727160578438,0.8044235316290864
EOS-2-05197,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nn2)c1,RRTZTRGWDKUWOD-UHFFFAOYSA-N,2,1,0.602,19,691,447.861,4.057,5,0.387,0.72,1.0,0.8260400246727435,0.8108851346720581,0.664844767322322,0.7471386471112329,0.7622271434445891
EOS-2-05198,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)ccc1Cl,ZKYJYRXKQNSQEX-UHFFFAOYSA-N,2,1,0.471,24,109,447.861,4.323,5,0.396,0.76,1.0,0.8499503118360633,0.8686433417860325,0.7386316907682818,0.7257984373929134,0.7957559454458227
EOS-2-05199,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cnccc4-c4ccccn4)n23)c1,ACJNSNLKFXJRKF-UHFFFAOYSA-N,2,1,0.505,35,76,447.861,4.057,5,0.362,0.62,0.998,0.7995596600644232,0.8263570008909602,0.642305188129669,0.6902114317044754,0.739608320197382
EOS-2-05200,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)n1,WLNHTEMSKPTXBR-UHFFFAOYSA-N,2,1,0.505,72,848,447.861,4.057,5,0.362,0.74,1.0,0.869945514358166,0.8902148584744021,0.6066153793434309,0.6468970598314029,0.7534182030018505
EOS-2-05201,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nn1,BTBVUNQQYLYSOP-UHFFFAOYSA-N,2,1,0.527,72,628,447.861,4.057,5,0.387,0.64,1.0,0.8742803783154,0.8902234253992187,0.6359827976149681,0.67557055719279,0.7690142896305943
EOS-2-05202,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)c1,INIHIEWQEBANDX-UHFFFAOYSA-N,2,1,0.527,35,76,447.861,4.057,5,0.362,0.72,1.0,0.937435748063875,0.9485127818518264,0.7338770474950311,0.752218833527517,0.8430111027345624
EOS-2-05203,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cccnc3-c3cncnc3)n12,FGLUUXDZMUAARW-UHFFFAOYSA-N,2,1,0.551,84,215,447.861,4.057,5,0.387,0.72,1.0,0.8181584538414091,0.8770132273319169,0.7285312864094304,0.7573332876430676,0.7952590638064561
EOS-2-05204,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1cnccn1,CTOBOUYPPCPLRU-UHFFFAOYSA-N,2,1,0.612,84,384,447.861,4.057,5,0.362,0.67,1.0,0.8930162428894524,0.8770217942567337,0.6730604482215065,0.7126996093482284,0.7889495236789803
EOS-2-05205,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)cn1,PNOYHWINDHWSHS-UHFFFAOYSA-N,2,1,0.529,44,130,447.861,4.057,5,0.362,0.7,1.0,0.8911829209786855,0.879720375573984,0.7001233637173601,0.7471472140360497,0.8045434685765198
EOS-2-05206,Fc1c(-c2cccnc2)cncc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,IYZHZWYBSINGEW-UHFFFAOYSA-N,2,1,0.54,35,76,447.861,4.057,5,0.362,0.61,1.0,0.8384192310328284,0.8686519087108492,0.7511822356247002,0.7747755465698033,0.8082572304845452
EOS-2-05207,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,RLZPKVIKNNUVFI-UHFFFAOYSA-N,2,1,0.524,35,419,447.861,4.057,5,0.362,0.71,1.0,0.8820077445000343,0.8977280515386197,0.7834624083339045,0.7889024055924885,0.8380251524912616
EOS-2-05208,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)cn1,JGTUPUZGMZKZKZ-UHFFFAOYSA-N,2,1,0.544,75,525,447.861,4.057,5,0.362,0.67,1.0,0.8634517853471317,0.8954578164622027,0.6813103968199575,0.7040812829826606,0.7860753204029882
EOS-2-05209,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)ccn1,TXFZLMNHQVLXQU-UHFFFAOYSA-N,2,1,0.533,35,76,447.861,4.057,5,0.362,0.78,1.0,0.945094578849976,0.9595983825645946,0.7386402576930985,0.7419642245219656,0.8463243609074087
EOS-2-05210,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccc2F)cnn1,XOHBNILDKMEMIM-UHFFFAOYSA-N,2,1,0.511,16,253,447.861,4.323,5,0.37,0.64,1.0,0.8820163114248509,0.8848862312384347,0.8309488725926941,0.8213196490987595,0.8547927660886848
EOS-2-05211,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1Cl,HKNSOHIESVZBLY-UHFFFAOYSA-N,2,1,0.511,58,56,447.861,4.057,5,0.362,0.73,0.967,0.893024809814269,0.9279864299910904,0.5842043040230279,0.6118926050304982,0.7542770372147214
EOS-2-05212,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)nc1,SBKYGMMXHYNOKR-UHFFFAOYSA-N,2,1,0.511,58,56,447.861,4.057,5,0.362,0.75,1.0,0.8655421150023987,0.9260417380577068,0.587322664656295,0.6352203413062847,0.7535317147556713
EOS-2-05213,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)cc1,BCZCFHRAJGMKJH-UHFFFAOYSA-N,2,1,0.5,44,130,447.861,4.057,5,0.387,0.74,0.995,0.867700980056199,0.8302463847577274,0.6922160921115756,0.7573418545678843,0.7868763278733466
EOS-2-05214,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cn2)cn1,JMQBPOITKSCWKK-UHFFFAOYSA-N,2,1,0.684,84,76,447.861,4.057,5,0.362,0.74,1.0,0.9502090329655267,0.9612432321293949,0.7361986841203482,0.739377013227332,0.8467569906106505
EOS-2-05215,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nn1,NYXSHMWUZHIYSE-UHFFFAOYSA-N,2,1,0.568,72,628,447.861,4.057,5,0.362,0.7,1.0,0.9206874100472894,0.922452196559523,0.6922246590363923,0.7127081762730451,0.8120181104790625
EOS-2-05216,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)nc1,UIYWRSWGWNOBKE-UHFFFAOYSA-N,2,1,0.56,75,583,447.861,4.057,5,0.362,0.69,1.0,0.9218268110479062,0.887584812555685,0.697519018573093,0.7179682681104791,0.8062247275717909
EOS-2-05217,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)ccn1,GWTAVSYAUCIQCD-UHFFFAOYSA-N,2,1,0.484,11,278,447.861,4.057,5,0.362,0.78,1.0,0.777054348571037,0.9021657185936536,0.6481649647042698,0.6755791241176068,0.7507410389966418
EOS-2-05218,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(Cl)nc4)c3)n12,DCCVMBPZUQAEHO-UHFFFAOYSA-N,2,1,0.552,75,525,447.861,4.057,5,0.362,0.7,1.0,0.889469536015352,0.9089764238229046,0.7534182030018505,0.762533411006785,0.828599393461723
EOS-2-05219,Fc1ncccc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccn1,FXKBYNNTHQTARZ-UHFFFAOYSA-N,2,1,0.527,11,278,447.861,4.057,5,0.362,0.72,0.998,0.8208227674593928,0.8537283256802138,0.6213676238777328,0.6497926804194366,0.7364278493591939
EOS-2-05220,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cncnc1,ABHZOUIYWLOQRS-UHFFFAOYSA-N,2,1,0.585,37,817,447.861,4.057,5,0.387,0.72,1.0,0.9539442121855939,0.9799448290041807,0.6648533342471387,0.7206240148036461,0.8298415975601399
EOS-2-05221,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)cn1,AVUMXDNWVHKJEU-UHFFFAOYSA-N,2,1,0.518,24,577,447.861,4.323,5,0.396,0.68,1.0,0.7712202727708861,0.7736618463436364,0.7600661366595847,0.7522274004523336,0.7642939140566102
EOS-2-05222,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)ccc1Cl,ULEPWIGVIZNNJH-UHFFFAOYSA-N,2,1,0.704,84,360,447.861,4.057,5,0.387,0.74,1.0,0.9459684051812761,0.9528133781097937,0.8084178603248577,0.8065331368651909,0.8784331951202797
EOS-2-05223,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)cn1,ZQDGHCOZPDKQQV-UHFFFAOYSA-N,2,1,0.533,75,525,447.861,4.057,5,0.362,0.71,1.0,0.8429854019601124,0.8875933794805017,0.6866390240559249,0.7179768350352957,0.7837986601329586
EOS-2-05224,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)nc4)n23)cn1,DIUHRHVAFNTZBO-UHFFFAOYSA-N,2,1,0.554,58,56,447.861,4.057,5,0.362,0.72,1.0,0.9364591186347748,0.9612517990542115,0.6785432801041738,0.6986669864985265,0.8187302960729217
EOS-2-05225,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n1,WSYNCEDNGUGABC-UHFFFAOYSA-N,2,1,0.524,58,56,447.861,4.057,5,0.362,0.72,1.0,0.9137396340209718,0.939885888561442,0.6595761085600713,0.672632101980673,0.7964584332807896
EOS-2-05226,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(F)nc5)nc4)n23)cc1Cl,UYEFRRFCCXZABN-UHFFFAOYSA-N,2,1,0.512,16,91,447.861,4.323,5,0.37,0.73,1.0,0.935448221506408,0.9109553834555548,0.7534267699266671,0.7419727914467823,0.835450791583853
EOS-2-05227,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,YHZODWOTDWWUNV-UHFFFAOYSA-N,2,1,0.539,84,73,447.861,4.057,5,0.387,0.65,1.0,0.7939997258584058,0.8438934959906792,0.7739873894866699,0.7957816462202728,0.8019155643890069
EOS-2-05228,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3Cl)n12,QOZVAXSDATYVPT-UHFFFAOYSA-N,2,1,0.529,58,28,447.861,4.057,5,0.362,0.68,1.0,0.898207799328353,0.9069717634158042,0.6123038174216983,0.6498012473442533,0.7668211568775272
EOS-2-05229,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cn1,ZJUTVCAISSZWKK-UHFFFAOYSA-N,2,1,0.522,87,307,447.861,4.057,5,0.362,0.71,1.0,0.8857086560208347,0.9326554040161743,0.6730690151463231,0.6959598382564595,0.796848228359948
EOS-2-05230,Cc1nc(-c2cccc(F)c2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,UEFWTDXTTWTZJG-UHFFFAOYSA-N,2,1,0.43,44,531,447.861,4.323,5,0.396,0.8,1.0,0.730013364402714,0.6422709204304023,0.6567832910698376,0.7040898499074772,0.6832893564526077
EOS-2-05231,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)ccn1,SBPBIKDMFDZGCE-UHFFFAOYSA-N,2,1,0.505,11,278,447.861,4.057,5,0.362,0.69,1.0,0.8153656363511754,0.8108937015968748,0.6567918579946542,0.6846429305736413,0.7419235316290864
EOS-2-05232,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)nc1,YBAVVMHAEMLVGD-UHFFFAOYSA-N,2,1,0.554,58,56,447.861,4.057,5,0.362,0.71,1.0,0.9342145843328079,0.9548608731409773,0.6759903365088068,0.6986755534233432,0.8159353368514838
EOS-2-05233,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cn1,UEWAZMDGLDMVFR-UHFFFAOYSA-N,2,1,0.511,11,490,447.861,4.057,5,0.362,0.76,0.998,0.8911914879035021,0.92428551847029,0.645372147214036,0.6816702076622576,0.7856298403125215
EOS-2-05234,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cc1F,MAOUHJXSXNMIMC-UHFFFAOYSA-N,2,1,0.415,46,160,447.861,4.323,5,0.396,0.7,1.0,0.7084161469398944,0.6280326913851004,0.769575423206086,0.759980467411418,0.7165011822356248
EOS-2-05235,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)ccn4)n23)n1,PUHKOXRWDGYOKT-UHFFFAOYSA-N,2,1,0.418,11,692,447.861,4.057,5,0.362,0.75,1.0,0.6841203481598246,0.6572287711603043,0.5873312315811117,0.6411657871290521,0.6424615345075733
EOS-2-05236,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)c(Cl)c1,UOAOWDICTBDLQP-UHFFFAOYSA-N,2,1,0.56,84,215,447.861,4.057,5,0.387,0.72,1.0,0.8912000548283189,0.9441093824960592,0.7895791926530052,0.8023096429305736,0.8567995682269893
EOS-2-05237,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nc1,MLVCCGPOEGAUMP-UHFFFAOYSA-N,2,1,0.511,2,76,447.861,4.057,5,0.362,0.67,1.0,0.8742889452402166,0.8629463367829484,0.7233225961208964,0.7443972311698992,0.8012387773284901
EOS-2-05238,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)ccn1,SEFHTOWAKBFWTG-UHFFFAOYSA-N,2,1,0.516,75,278,447.861,4.057,5,0.362,0.67,0.999,0.8429939688849291,0.8369285861147283,0.692233225961209,0.7231169899252964,0.7738181927215406
EOS-2-05239,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nc1Cl,RILMELGIZQEDRK-UHFFFAOYSA-N,2,1,0.505,87,173,447.861,4.057,5,0.362,0.74,0.995,0.9076913851004044,0.9309420190528408,0.6453807141388527,0.6697279144678226,0.7884355081899802
EOS-2-05240,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)ccc1Cl,WOTQSIOZTALZKA-UHFFFAOYSA-N,2,1,0.679,84,884,447.861,4.057,5,0.387,0.72,1.0,0.8564783085463642,0.8686604756356658,0.8440048660132958,0.8486909738880132,0.8544586560208348
EOS-2-05241,FCc1ncc(COc2cncc3nnc(-c4cccnc4-c4ccc(Cl)cc4)n23)cn1,XTHLYRAIILLATN-UHFFFAOYSA-N,2,1,0.512,97,232,447.861,4.345,5,0.382,0.74,1.0,0.807869577136591,0.7989257076279899,0.5311921732574875,0.5935765197724625,0.6828909944486327
EOS-2-05242,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)ccc1Cl,RYMLRPFEDLRROU-UHFFFAOYSA-N,2,1,0.625,84,308,447.861,4.057,5,0.387,0.76,1.0,0.8930333767390858,0.8797289424988006,0.7534353368514838,0.7625419779316017,0.822184908505243
EOS-2-05243,Fc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c1,OFGHLIOZWNHCBC-UHFFFAOYSA-N,2,1,0.5,19,207,447.861,4.057,5,0.387,0.74,1.0,0.7627561510520183,0.7566565005825509,0.7001319306421767,0.7864094304708382,0.7514885031868961
EOS-2-05244,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,JPSFRLPZFFANQO-UHFFFAOYSA-N,2,1,0.484,84,672,447.861,4.057,5,0.387,0.72,1.0,0.8333304776917277,0.8848947981632513,0.7311184977040641,0.7573504214927009,0.8016735487629361
EOS-2-05245,Cc1nc(-c2cc(Cl)ccc2-c2nnc3cncc(OCc4ccnnc4)n23)ccc1F,TYMQLCCAVKDWRP-UHFFFAOYSA-N,2,1,0.483,34,389,447.861,4.323,5,0.396,0.73,1.0,0.852306216160647,0.8998697827427866,0.762482009457885,0.7625505448564184,0.8193021383044342
EOS-2-05246,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)nc1Cl,CWFHFCMPJFLDRM-UHFFFAOYSA-N,2,1,0.539,11,922,447.861,4.057,5,0.362,0.66,1.0,0.9617915153176616,0.9506973476800767,0.6947604687821259,0.7040984168322939,0.8278369371530396
EOS-2-05247,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccncn5)c4)n23)ccc1Cl,ARZYWUFWYQHJBK-UHFFFAOYSA-N,2,1,0.692,75,583,447.861,4.057,5,0.387,0.68,1.0,0.9297854842025907,0.8655335480775821,0.7810979370845041,0.779735796038654,0.8390381913508327
EOS-2-05248,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cnc1Cl,GINTZCMWEIVRFP-UHFFFAOYSA-N,2,1,0.527,58,56,447.861,4.057,5,0.362,0.72,1.0,0.9123260914262217,0.9413679665547255,0.6536649304365705,0.6668322938797889,0.7935478205743266
EOS-2-05249,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)nc1,NEOSTHGCEVWPEC-UHFFFAOYSA-N,2,1,0.517,24,304,447.861,4.057,5,0.387,0.72,1.0,0.8742975121650333,0.9326639709409911,0.6243746144883833,0.6755876910424234,0.7767309471592078
EOS-2-05250,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,PUAHJWRKLQSWNY-UHFFFAOYSA-N,2,1,0.461,18,157,447.861,4.057,5,0.362,0.69,1.0,0.8128812281543417,0.807149955451991,0.7338856144198479,0.7522359673771503,0.7765381913508327
EOS-2-05251,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)cc1,NWQVGKWMPNJAMA-UHFFFAOYSA-N,2,1,0.529,44,130,447.861,4.057,5,0.362,0.73,1.0,0.8894781029401686,0.8598708107737647,0.6975275854979097,0.744405798094716,0.7978205743266398
EOS-2-05252,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)cn1,QAOAUZKXVHCCEQ-UHFFFAOYSA-N,2,1,0.482,59,332,447.861,4.323,5,0.396,0.79,1.0,0.8475772736618463,0.8715732300733329,0.7673394558289356,0.7546861078747172,0.810294016859708
EOS-2-05253,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)cn3)n12,QRYSPQHTABYQAB-UHFFFAOYSA-N,2,1,0.494,84,749,447.861,4.057,5,0.387,0.73,1.0,0.8050938934959907,0.8567438832156808,0.7600747035844013,0.7935542457679391,0.803866681516003
EOS-2-05254,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nn1,VIPXYIYZQUCBOG-UHFFFAOYSA-N,2,1,0.505,72,848,447.861,4.057,5,0.362,0.69,1.0,0.8699540812829827,0.8902319923240354,0.6066239462682476,0.64980981426907,0.7541549585360838
EOS-2-05255,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nc1,AOHZHHFYEXYIEA-UHFFFAOYSA-N,2,1,0.59,35,300,447.861,4.057,5,0.362,0.67,1.0,0.9246024946885066,0.8977366184634363,0.6536734973613871,0.6726406689054897,0.7871633198547049
EOS-2-05256,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)n1,DJUZLTXCGUURHN-UHFFFAOYSA-N,2,1,0.506,24,577,447.861,4.323,5,0.396,0.68,1.0,0.7827513535741211,0.7605972859982181,0.7534439037763004,0.754694674799534,0.7628718045370433
EOS-2-05257,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4cccnc4Cl)ccn3)n12,GCIMEFUKPOPLJP-UHFFFAOYSA-N,2,1,0.452,18,840,447.861,4.057,5,0.362,0.63,1.0,0.8103282845589748,0.7779196079775204,0.7209409910218628,0.7497001576314166,0.7647222602974436
EOS-2-05258,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cn1,LMVPSBJEFSLCEU-UHFFFAOYSA-N,2,1,0.649,59,294,447.861,4.323,5,0.396,0.76,1.0,0.9206959769721061,0.9150589404427387,0.8062332944966075,0.7771742855184703,0.8547906243574807
EOS-2-05259,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)cn1,CWXQNRCTJGKZDP-UHFFFAOYSA-N,2,1,0.649,59,294,447.861,4.323,5,0.396,0.78,1.0,0.9192995682269892,0.9150675073675554,0.8062418614214242,0.7797443629634706,0.85508832499486
EOS-2-05260,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(Cl)ncc5F)c4)n23)cn1,FJQLAFQNDHFYPW-UHFFFAOYSA-N,2,1,0.506,2,879,447.861,4.323,5,0.37,0.7,1.0,0.8358919882119115,0.8404752929888287,0.8180128161195257,0.7864179973956549,0.8201995236789803
EOS-2-05261,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nc1,VXDQDYQXGAEOKZ-UHFFFAOYSA-N,2,1,0.442,18,692,447.861,4.057,5,0.387,0.63,1.0,0.6659670344733054,0.6621975875539716,0.6213761908025495,0.6816787745870743,0.6578048968542252
EOS-2-05262,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)c1,SMCHVVOGUIBMOG-UHFFFAOYSA-N,2,1,0.457,19,207,447.861,4.057,5,0.387,0.7,1.0,0.6871958741690083,0.7736704132684532,0.6648619011719553,0.7573589884175177,0.7207717942567337
EOS-2-05263,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,KZUKODWAIBVSEC-UHFFFAOYSA-N,2,1,0.583,35,202,447.861,4.057,5,0.362,0.66,1.0,0.9207045438969228,0.954869440065794,0.8062504283462408,0.8193578233157426,0.875295558906175
EOS-2-05264,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)nc1,UPRVKOCCVVBVOR-UHFFFAOYSA-N,2,1,0.565,24,141,447.861,4.057,5,0.387,0.7,1.0,0.8782982660544171,0.9356709615516414,0.6213847577273662,0.6611010211774382,0.7741137516277157
EOS-2-05265,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)cn1,YMQNYRJBHBZGLX-UHFFFAOYSA-N,2,1,0.506,55,282,447.861,4.323,5,0.396,0.72,1.0,0.8611729833458982,0.890240559248852,0.7895877595778219,0.7701494071688026,0.8277876773353438
EOS-2-05266,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)n1,RONGHSSNPGSKLI-UHFFFAOYSA-N,2,1,0.646,24,294,447.861,4.323,5,0.396,0.7,1.0,0.8801487218148174,0.8185696662326092,0.7719912960043863,0.762559111781235,0.8083171989582619
EOS-2-05267,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cn2)cn1,NWMRALKCYCBNOL-UHFFFAOYSA-N,2,1,0.5,59,282,447.861,4.323,5,0.396,0.82,1.0,0.8801572887396341,0.8770303611815503,0.7935970803920225,0.767587896648619,0.8295931567404565
EOS-2-05268,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)cc1Cl,BVVXEICXUUQFLL-UHFFFAOYSA-N,2,1,0.704,84,360,447.861,4.057,5,0.387,0.78,1.0,0.9451031457747927,0.9528219450346104,0.8084264272496745,0.8086491672949078,0.8787501713384963
EOS-2-05269,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,GGQNNOFBSHAFAG-UHFFFAOYSA-N,2,1,0.533,35,76,447.861,4.057,5,0.362,0.75,1.0,0.9421732574874923,0.952830511959427,0.7386488246179151,0.741981358371599,0.8439084881091083
EOS-2-05270,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)cn3)n12,CSAANEKQYFOFFZ-UHFFFAOYSA-N,2,1,0.494,44,749,447.861,4.057,5,0.387,0.75,1.0,0.8406380645603454,0.8686690425604825,0.7179597011856624,0.7471557809608663,0.7936056473168392
EOS-2-05271,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccncn5)c4)n23)cc1Cl,QCYHCRVOPCRKQS-UHFFFAOYSA-N,2,1,0.692,75,583,447.861,4.057,5,0.387,0.7,1.0,0.9297940511274073,0.8655421150023987,0.7811065040093208,0.781826125693921,0.839567198958262
EOS-2-05272,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)n1,SYTIFEIUAQZNQZ-UHFFFAOYSA-N,2,1,0.512,11,801,447.861,4.057,5,0.387,0.74,1.0,0.8234870810773764,0.9371359056952916,0.612312384346515,0.684651497498458,0.7643967171544104
EOS-2-05273,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn1,HDVYMOWEGVEIRP-UHFFFAOYSA-N,2,1,0.549,75,525,447.861,4.057,5,0.362,0.71,1.0,0.9030138441505038,0.915076074292372,0.7462391200054829,0.7497087245562333,0.828509440751148
EOS-2-05274,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)nc1,RESIELWUEGYCHT-UHFFFAOYSA-N,2,1,0.511,2,429,447.861,4.057,5,0.387,0.68,1.0,0.8611815502707149,0.8598793776985814,0.7209495579466795,0.7573675553423344,0.7998445103145775
EOS-2-05275,Cc1cc(-c2cnc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)ccc1Cl,CDOGWFHMDOANHJ-UHFFFAOYSA-N,2,1,0.449,46,62,447.861,4.323,5,0.396,0.73,1.0,0.7855784387636214,0.7247190048660133,0.7695839901309026,0.7864265643204715,0.7665769995202523
EOS-2-05276,N=c1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)nc[nH]1,ORZWIGPMMVFMON-UHFFFAOYSA-N,2,1,0.619,43,11,447.861,4.032,5,0.423,0.67,1.0,0.8801658556644507,0.7388115961894318,0.8790435885134672,0.8653879103556987,0.8408522376807621
EOS-2-05277,Fc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1,CDUBTTKDTUDFNT-UHFFFAOYSA-N,2,1,0.522,72,628,447.861,4.057,5,0.387,0.73,1.0,0.8499588787608799,0.8954663833870194,0.6359913645397848,0.6846600644232747,0.7665191727777397
EOS-2-05278,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cc1,KSWXFMPMPRDMFZ-UHFFFAOYSA-N,2,1,0.512,11,801,447.861,4.057,5,0.387,0.77,1.0,0.8181670207662257,0.9309505859776575,0.6066325131930642,0.6816873415118909,0.7593593653622096
EOS-2-05279,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)ccc1F,GVUDELJUFQFCJZ-UHFFFAOYSA-N,2,1,0.506,24,786,447.861,4.323,5,0.37,0.77,1.0,0.8451785347131794,0.836937153039545,0.7179682681104791,0.6902199986292921,0.7725759886231238
EOS-2-05280,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cn1,XORNKAQQRZWUME-UHFFFAOYSA-N,2,1,0.511,11,846,447.861,4.057,5,0.387,0.79,1.0,0.845187101637996,0.9021742855184703,0.5873397985059283,0.6668408608046056,0.75038551161675
EOS-2-05281,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,CHKVSOMKRHNYFS-UHFFFAOYSA-N,2,1,0.473,35,429,447.861,4.057,5,0.362,0.71,0.999,0.8982163662531698,0.8821619491467343,0.6510263175930368,0.6959684051812761,0.7818432595435543
EOS-2-05282,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nc1,SETWTTZCUCUVOP-UHFFFAOYSA-N,2,1,0.418,11,692,447.861,4.057,5,0.362,0.75,1.0,0.6841289150846412,0.657237338085121,0.5842128709478446,0.6411743540538688,0.6416883695428689
EOS-2-05283,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cn1,KONSEALQIPRLEH-UHFFFAOYSA-N,2,1,0.529,84,56,447.861,4.057,5,0.362,0.77,1.0,0.9246110616133233,0.9463025152491261,0.6423137550544856,0.6726492358303063,0.7964691419368103
EOS-2-05284,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nc1,QVOSQAWXNUAQEE-UHFFFAOYSA-N,2,1,0.562,58,56,447.861,4.057,5,0.362,0.74,1.0,0.9451117126996094,0.9585617846617778,0.6866475909807416,0.709923925707628,0.8250612535124391
EOS-2-05285,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cncnc4)nc3)n12,JNKRMTFGXBEVMK-UHFFFAOYSA-N,2,1,0.541,84,749,447.861,4.057,5,0.387,0.71,1.0,0.8930419436639024,0.9371444726201082,0.7624905763827017,0.7842162977177712,0.8442233225961209
EOS-2-05286,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)c1,BENLIDQQRLZSEO-UHFFFAOYSA-N,2,1,0.5,2,76,447.861,4.057,5,0.387,0.64,1.0,0.8260485915975602,0.8336474539099444,0.7101637996024946,0.757376122267151,0.7818089918442875
EOS-2-05287,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)nc1,JLGPNMRAYKRJJX-UHFFFAOYSA-N,2,1,0.571,24,583,447.861,4.057,5,0.387,0.65,1.0,0.8564868754711809,0.859887944623398,0.6298831471455006,0.6697364813926393,0.7539986121581798
EOS-2-05288,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cn1,QHWQOLAYTJVDSN-UHFFFAOYSA-N,2,1,0.484,11,173,447.861,4.057,5,0.362,0.72,1.0,0.847585840586663,0.9224607634843397,0.6423223219793023,0.669745048317456,0.7705284935919403
EOS-2-05289,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,ABNFQSYFUVUVLD-UHFFFAOYSA-N,2,1,0.506,24,583,447.861,4.057,5,0.362,0.72,1.0,0.8677095469810157,0.8537368926050305,0.5482746213419231,0.6022719484613803,0.7179982523473374
EOS-2-05290,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2Cl)cn1,SDXODBHMLJNATA-UHFFFAOYSA-N,2,1,0.571,35,215,447.861,4.057,5,0.362,0.73,1.0,0.9484956480021931,0.9474504831745597,0.787420327599205,0.8086577342197245,0.8730060482489206
EOS-2-05291,Oc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)cc1,GJVKRPTZKBQHTD-UHFFFAOYSA-N,2,1,0.573,57,80,447.857,4.93,5,0.411,0.71,1.0,0.907699952025221,0.9605236104447947,0.9273867452539236,0.9260931396066068,0.9304258618326366
EOS-2-05292,Oc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccccc4F)cn3)n12,QEUUVYPDMGEJMB-UHFFFAOYSA-N,2,1,0.548,57,461,447.857,4.93,5,0.411,0.67,1.0,0.8611901171955315,0.9169265300527722,0.9048814337605373,0.9165067507367556,0.8998762079363991
EOS-2-05293,Oc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)cc1,DWSYWOZVQODWTN-UHFFFAOYSA-N,2,1,0.62,57,798,447.857,4.93,5,0.411,0.74,1.0,0.9781029401685971,0.9742563909259132,0.907083133438421,0.9122832568021383,0.9429314303337674
EOS-2-05294,COc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)cc1,IIQHRCWGBRXIMB-UHFFFAOYSA-N,2,1,0.557,57,417,447.857,5.447,5,0.357,0.82,1.0,0.9539527791104105,0.9684223151257625,0.9183829072716058,0.8994757042012199,0.9350584264272497
EOS-2-05295,COc1cccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)c1,BDZKCQUKVUMLCM-UHFFFAOYSA-N,2,1,0.512,57,480,447.857,5.447,5,0.357,0.89,1.0,0.8564954423959975,0.8715817969981495,0.9316273730381742,0.9143221849085053,0.8935066993352067
EOS-2-05296,COc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2)cn1,PFTVMMFSWXNGFH-UHFFFAOYSA-N,2,1,0.543,57,913,447.857,5.447,5,0.357,0.86,1.0,0.9374443149886916,0.9186741827153725,0.9292457679391406,0.9054725515728874,0.922709204304023
EOS-2-05297,COc1nc(-c2nnc3cncc(Oc4cc(F)cc(Cl)c4)n23)ccc1-c1ccccc1,GTZDYXPJLCKIQU-UHFFFAOYSA-N,2,1,0.448,57,480,447.857,5.447,5,0.357,0.75,1.0,0.8260571585223768,0.7946936467685559,0.8392844904393119,0.8451699677883627,0.8263013158796518
EOS-2-05298,OCc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)cc1,QEJIGOGEDZQJJZ-UHFFFAOYSA-N,2,1,0.494,57,417,447.857,4.93,5,0.411,0.81,1.0,0.9539613460352272,0.9663062846960455,0.9353796861078747,0.9320214515797409,0.946917192104722
EOS-2-05299,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccccc1,XZVDMGXSSNMDAE-UHFFFAOYSA-N,2,1,0.422,57,616,447.857,5.447,5,0.357,0.79,1.0,0.8051024604208074,0.7566650675073675,0.8455640463299294,0.8431481735316291,0.8126199369474334
EOS-2-05300,Fc1cccc(Oc2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2)c1,HTQBDVDVFJPWRD-UHFFFAOYSA-N,2,1,0.583,79,881,447.857,5.35,5,0.327,0.78,1.0,0.9624854362278117,0.9385665821396751,0.9284490439311904,0.927121170584607,0.9391555582208211
EOS-2-05301,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(Oc4ccccn4)cc3)n12,HCFBQJNDLLCAAW-UHFFFAOYSA-N,2,1,0.556,57,881,447.857,5.35,5,0.349,0.75,1.0,0.9631193886642451,0.9485213487766432,0.9222551572887396,0.9111524227263381,0.9362620793639915
EOS-2-05302,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(Oc4ccncc4)cc3)n12,VYHRIYZEFRWMKY-UHFFFAOYSA-N,2,1,0.617,57,881,447.857,5.35,5,0.349,0.77,1.0,0.9717291481049962,0.9528390788842437,0.9414879035021588,0.9355681584538414,0.95040607223631
EOS-2-05303,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)cc1Cl,BGGUGLXWUHMYTM-UHFFFAOYSA-N,2,1,0.709,57,881,447.857,5.35,5,0.349,0.8,1.0,0.9731769583990131,0.9605321773696114,0.9300167911726407,0.9143307518333219,0.9445141696936468
EOS-2-05304,Fc1cc(COc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)ccc1Cl,XDTGDGPLVJPBHU-UHFFFAOYSA-N,2,1,0.709,57,881,447.857,5.35,5,0.349,0.8,1.0,0.9740679185799466,0.960540744294428,0.9300253580974573,0.9143393187581386,0.9447433349324926
EOS-2-05305,Fc1ccc(-c2nnc3cncc(OCc4ccc(Oc5cccc(Cl)c5)cn4)n23)cc1,YECZNMQNLJSCSU-UHFFFAOYSA-N,2,1,0.6,57,881,447.857,5.35,5,0.349,0.8,1.0,0.8839438695086012,0.9474590500993764,0.9088821876499212,0.9165153176615722,0.9142001062298677
EOS-2-05306,Cc1nc(=N)nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)[nH]1,ZUAQZDUUOHMYET-UHFFFAOYSA-N,2,1,0.386,46,395,447.85,1.782,5,0.383,0.69,0.324,0.4605578781440614,0.29105270372147213,0.11017065314234803,0.09896511548214652,0.240186587622507
EOS-2-05307,COc1cc(-c2nnc3cncc(OCc4cnncn4)n23)ccc1-c1cnc(Cl)cn1,IAUKXIHWGBGVLR-UHFFFAOYSA-N,2,1,0.421,7,248,447.846,2.674,5,0.383,0.64,1.0,0.6298317455966006,0.5952042354876294,0.35222911383729694,0.29107840449592215,0.46708587485436226
EOS-2-05308,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)cn1,WLJRSXHXDDXPJF-UHFFFAOYSA-N,2,1,0.374,7,296,447.846,2.158,5,0.385,0.6,0.988,0.46285381399492836,0.4255619902679734,0.29687821259680625,0.2910869714207388,0.36909524707011176
EOS-2-05309,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cn1,FWXCTWRMNXGZEG-UHFFFAOYSA-N,2,1,0.42,51,48,447.846,2.674,5,0.383,0.63,1.0,0.6689397573846891,0.595212802412446,0.16996778836268933,0.13220478377081762,0.3915812829826605
EOS-2-05310,OCc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)cn1,NMXGXSRFMCQHFQ-UHFFFAOYSA-N,2,1,0.441,7,535,447.846,2.158,5,0.412,0.64,1.0,0.5539630594201905,0.6142656432047152,0.23880302926461516,0.22590124049071345,0.4082332430950586
EOS-2-05311,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nn2)cn1,ZUNWISHJVBNVFD-UHFFFAOYSA-N,2,1,0.394,53,670,447.846,2.674,5,0.383,0.68,1.0,0.4728771160304297,0.4971215132615996,0.19982352134877665,0.17230655883763965,0.3355321773696114
EOS-2-05312,O=c1ccc(-c2cncc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)c2)n[nH]1,MTGPBRUGGXDXLX-UHFFFAOYSA-N,2,1,0.39,87,35,447.846,2.002,5,0.387,0.61,0.999,0.49011376876156537,0.46111472825714483,0.15723733808512097,0.19420361866904257,0.32566736344321845
EOS-2-05313,OCc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cn1,KARXPMABHBBWIH-UHFFFAOYSA-N,2,1,0.42,51,48,447.846,2.158,5,0.412,0.64,1.0,0.6535021588650538,0.6572459050099376,0.1766328558700569,0.18061647590980742,0.41699934891371393
EOS-2-05314,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)ccc1=O,QNNUUYUAYYWGAF-UHFFFAOYSA-N,2,1,0.415,7,617,447.846,1.969,5,0.397,0.61,0.993,0.4076828181755877,0.4255705571927901,0.14505517099581933,0.15354499348913714,0.28296338496333356
EOS-2-05315,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)cn1,DGJDODRZAXDJCK-UHFFFAOYSA-N,2,1,0.388,7,296,447.846,2.158,5,0.412,0.65,0.956,0.4701699677883627,0.407263038859571,0.28601535192927147,0.29109553834555546,0.36363597423069016
EOS-2-05316,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1,GSOUNHBZEREOIV-UHFFFAOYSA-N,2,1,0.44,55,903,447.846,2.674,5,0.383,0.69,1.0,0.4975584264272497,0.547143787266123,0.20337022822287712,0.1562692755808375,0.35108542937427184
EOS-2-05317,OCc1cnc(-c2cncc(-c3nnc4cncc(OCc5cnncc5Cl)n34)c2)cn1,LPVJCOQEHKNOKS-UHFFFAOYSA-N,2,1,0.411,2,858,447.846,2.158,5,0.412,0.53,1.0,0.5257778767733534,0.5286734973613871,0.3859999314646015,0.3738091974504832,0.4535651257624563
EOS-2-05318,OCc1cnc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)cn1,GKGFYCRRSJDVJB-UHFFFAOYSA-N,2,1,0.411,7,85,447.846,2.158,5,0.385,0.69,1.0,0.5873654992803783,0.647488177643753,0.18632204783770817,0.18875505448564184,0.40248269481187027
EOS-2-05319,COc1ncncc1COc1cncc2nnc(-c3ccc(-c4cnc(Cl)nc4)nc3)n12,ITQLOAKSXJPXSQ-UHFFFAOYSA-N,2,1,0.424,55,434,447.846,2.674,5,0.358,0.62,1.0,0.7418442875745322,0.6718953464464396,0.2636042766088685,0.1914793365773422,0.4672058118017956
EOS-2-05320,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cc1=O,LVGFMAYRHODENC-UHFFFAOYSA-N,2,1,0.402,51,196,447.846,1.969,5,0.397,0.63,1.0,0.490122335686382,0.4391834007264752,0.15409327667740388,0.16413371256253856,0.31188318141319993
EOS-2-05321,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cnncn1,GMRZDZMIGUZMKY-UHFFFAOYSA-N,2,1,0.449,36,224,447.846,2.674,5,0.383,0.64,1.0,0.6628915084641217,0.6094167637584813,0.3484682338427798,0.29413679665547254,0.47872832568021384
EOS-2-05322,OCc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1,AMAKHJOQLXXNJC-UHFFFAOYSA-N,2,1,0.43,55,617,447.846,2.158,5,0.412,0.68,1.0,0.5202779110410527,0.5906294976355287,0.21042937427181138,0.21177438146802824,0.38327779110410526
EOS-2-05323,OCc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cn1,FZXICEUOGJCQMF-UHFFFAOYSA-N,2,1,0.379,51,48,447.846,2.158,5,0.412,0.6,1.0,0.47797443629634706,0.44342402851072577,0.18950037694469193,0.19148790350215886,0.3255966863134809
EOS-2-05324,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nn2)cn1,CLAPNDNRKFRKHX-UHFFFAOYSA-N,2,1,0.472,53,411,447.846,2.674,5,0.383,0.63,1.0,0.4166695223082722,0.43011959427044066,0.19628538139949284,0.18062504283462408,0.3059248852032075
EOS-2-05325,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cnn2)cn1,KBMIICHWQMOSFU-UHFFFAOYSA-N,2,1,0.427,55,62,447.846,2.158,5,0.412,0.55,1.0,0.4753872250017134,0.4741450209032966,0.31518573093002533,0.3317798642999109,0.3991244602837365
EOS-2-05326,COc1ncncc1COc1cncc2nnc(-c3ccnc(-c4cnc(Cl)nc4)c3)n12,BMODARYKXXWQFG-UHFFFAOYSA-N,2,1,0.435,7,441,447.846,2.674,5,0.358,0.69,1.0,0.6961397436776094,0.5656826125693921,0.27080049345486945,0.19685936536220958,0.4323705537660201
EOS-2-05327,O=c1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nn2)c[nH]1,SRIOIDVYOOFGCW-UHFFFAOYSA-N,2,1,0.42,54,411,447.846,2.002,5,0.414,0.59,0.127,0.4420533205400589,0.3883387019395518,0.18300664793365773,0.22919950654513055,0.3106495442395998
EOS-2-05328,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)ccc1=O,FHJBEUXOFYRBPR-UHFFFAOYSA-N,2,1,0.43,53,617,447.846,1.969,5,0.397,0.61,0.973,0.405352614625454,0.44798163251319306,0.1328815708313344,0.14843910629840312,0.2836637310670962
EOS-2-05329,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cccnn1,BUWYCGHEXQGJEZ-UHFFFAOYSA-N,2,1,0.381,49,94,447.846,2.674,5,0.383,0.55,0.999,0.494996915907066,0.4611232951819615,0.15724590500993763,0.1411572202042355,0.31363083407580017
EOS-2-05330,OCc1cncc(COc2cncc3nnc(-c4ccc(-c5cncnc5Cl)nc4)n23)n1,KIFCEPZRNWMCBZ-UHFFFAOYSA-N,2,1,0.4,7,85,447.846,2.158,5,0.385,0.73,1.0,0.4901309026111987,0.5378486738400384,0.2708090603796861,0.2645552052635186,0.39083596052361047
EOS-2-05331,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)cn1,VNKSBJVDSBUVCD-UHFFFAOYSA-N,2,1,0.426,7,726,447.846,2.158,5,0.412,0.62,0.649,0.4348228359947913,0.43919196765129187,0.24575937221574942,0.2556884380782674,0.343865653485025
EOS-2-05332,COc1cc(-c2nnc3cncc(OCc4cnnc(-c5ncccn5)n4)n23)ccc1Cl,NTEOBBSJRFDIQK-UHFFFAOYSA-N,2,1,0.478,36,67,447.846,2.674,5,0.383,0.61,1.0,0.7113032006031115,0.7865722020423549,0.17344595983825645,0.18334932492632444,0.46366767185251184
EOS-2-05333,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)cn2)ccc1=O,NTUREGFICQZGNS-UHFFFAOYSA-N,2,1,0.436,55,617,447.846,1.969,5,0.371,0.63,0.979,0.4189997258584059,0.4566513604276609,0.1391868274964019,0.13645397847988486,0.2878229730655884
EOS-2-05334,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)cn1,JXKYTVYTTLLSRR-UHFFFAOYSA-N,2,1,0.381,51,113,447.846,2.158,5,0.412,0.65,0.907,0.5002570077445,0.42557912411760673,0.27503255431430335,0.27940168597080395,0.3700675930368035
EOS-2-05335,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])n23)cc1,DNPDJIYFBZACDT-UHFFFAOYSA-N,2,1,0.494,13,15,447.842,4.546,5,0.287,0.75,1.0,0.5962151326159961,0.49190425604824894,0.5482831882667397,0.41469056267562193,0.5127732849016516
EOS-2-05336,N#Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)nc5)n4)n23)cc1F,WZFMHHPAHTZACC-UHFFFAOYSA-N,2,1,0.452,16,975,447.821,3.01,5,0.377,0.66,1.0,0.502681447467617,0.5952213693372627,0.6423308889041189,0.6755962579672401,0.6039574909190597
EOS-2-05337,Cn1nc(-c2ncc(C#N)cn2)cc1Oc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,FWKCAFCYCDMUDO-UHFFFAOYSA-N,2,1,0.5,73,706,447.821,3.438,5,0.411,0.83,1.0,0.6535107257898705,0.7908470975258721,0.5905181276129121,0.6290607223631005,0.6659841683229387
EOS-2-05338,O=[N+]([O-])c1ccc(Cl)c(F)c1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,WRFCHJWIROPWDT-UHFFFAOYSA-N,2,1,0.41,96,50,447.817,4.616,5,0.292,0.75,1.0,0.3023182098553903,0.28565554108697144,0.7362072510451648,0.6611095881022548,0.4963226475224453
EOS-2-05339,N#Cc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)cc1F,IGLQJDWYFOMZMJ-UHFFFAOYSA-N,2,1,0.573,43,372,447.817,4.084,5,0.395,0.8,1.0,0.9374528819135083,0.9676255911178123,0.7811150709341375,0.8232215064080598,0.8773537625933794
EOS-2-05340,N#Cc1cc(-c2nnc3cncc(OCc4noc(-c5cccc(F)c5)n4)n23)ccc1Cl,ZVVHFDNMELCVJP-UHFFFAOYSA-N,2,1,0.489,34,210,447.817,4.084,5,0.395,0.73,1.0,0.8260657254471935,0.8336560208347612,0.7487834966760332,0.8044428072099239,0.8032370125419779
EOS-2-05341,N#Cc1ccc(-c2nnc(COc3cncc4nnc(-c5cc(F)cc(Cl)c5)n34)o2)cc1,KULPGRDLYLSOQB-UHFFFAOYSA-N,2,1,0.605,43,372,447.817,4.084,5,0.395,0.7,1.0,0.8384277979576451,0.9224693304091564,0.757735933109451,0.8108937015968748,0.8323816907682818
EOS-2-05342,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)ccc1Cl,DAILIFPQUCQJTB-UHFFFAOYSA-N,2,1,0.554,43,909,447.817,4.084,5,0.395,0.69,1.0,0.9642416558152286,0.9575680213830443,0.9088907545747379,0.9042817490233706,0.9337455451990954
EOS-2-05343,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)c(F)c2)o1,FLSWMXCGVBTUMK-UHFFFAOYSA-N,2,1,0.444,13,374,447.817,4.606,5,0.392,0.7,1.0,0.8801744225892674,0.9169350969775889,0.8488880131587965,0.8412805839215955,0.871819529161812
EOS-2-05344,N#Cc1cc(-c2nnc3cncc(OCc4ncc(-c5cncc(F)c5)o4)n23)ccc1Cl,UKTLYRDJLQVKQM-UHFFFAOYSA-N,2,1,0.541,4,71,447.817,4.084,5,0.395,0.63,1.0,0.917834624083339,0.9260503049825235,0.8440134329381125,0.8486995408128298,0.8841494757042012
EOS-2-05345,Fc1cnc(OC2COCC2F)c(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1,BXFPVYJITZEFEX-UHFFFAOYSA-N,2,1,0.379,90,861,447.804,3.901,5,0.472,0.59,0.958,0.7479353711191831,0.8109022685216914,0.9586817216092112,0.9617315468439449,0.8698127270235076
EOS-2-05346,N#Cc1cc(-c2nnc3cncc(-c4cnn(-c5cnc(F)c(Cl)c5)n4)n23)ccc1Cl,GNULXAFVNQAZSF-UHFFFAOYSA-N,2,1,0.333,22,216,452.24,3.752,5,0.384,0.62,0.422,0.067541635254609,0.39776231923788635,0.8145603454184086,0.8912514563772188,0.5427789390720307
EOS-2-05347,FC(F)Oc1ccc(Cl)cc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,GNKQLESFQUTOJZ-UHFFFAOYSA-N,2,1,0.568,90,281,452.248,4.716,4,0.404,0.77,1.0,0.9384295113426084,0.906980330340621,0.9581505722705778,0.9641645534918786,0.9419312418614214
EOS-2-05348,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nn4)n23)n1,YDWBJRAMXDSKJP-UHFFFAOYSA-N,2,1,0.433,54,670,452.265,3.319,5,0.292,0.65,0.999,0.5285364265643204,0.5656911794942088,0.35590432458364746,0.43975738468919195,0.4724723288328422
EOS-2-05349,Clc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ccn2)cn1,ZJFIKSXCBDBXJH-UHFFFAOYSA-N,2,1,0.489,7,99,452.265,3.319,5,0.37,0.7,1.0,0.5177078335960523,0.6142742101295319,0.37482009457884996,0.42414844767322324,0.4827376464944144
EOS-2-05350,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)nc1,KLNXQWFKMLKLEG-UHFFFAOYSA-N,2,1,0.378,51,924,452.265,3.319,5,0.396,0.67,0.798,0.5202864779658694,0.5518812966897403,0.3003992186964567,0.43382907271605786,0.45159901651703105
EOS-2-05351,Clc1ccc(COc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)ncn4)n23)nc1,HPFHFEXJVXFEOI-UHFFFAOYSA-N,2,1,0.451,46,395,452.265,3.319,5,0.37,0.67,0.722,0.4779830032211637,0.5423120416695223,0.43331505722705776,0.48949695017476524,0.4857767630731273
EOS-2-05352,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5cccc(Cl)n5)nn4)n23)cc1,NGJJXPWFAWCKKF-UHFFFAOYSA-N,2,1,0.59,34,32,452.265,3.319,5,0.37,0.69,1.0,0.8128897950791584,0.9398944554862586,0.1998320882735933,0.4115636351175382,0.5910449934891371
EOS-2-05353,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5nccc(Cl)n5)nc4)n23)n1,NZXBSQAAOBDPJS-UHFFFAOYSA-N,2,1,0.418,51,242,452.265,3.319,5,0.37,0.65,1.0,0.6326502638612843,0.7247275717908299,0.2564423274621342,0.34457028305119597,0.48959761154136106
EOS-2-05354,Clc1cnc(-c2ncccc2-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)nc1,RVZLRHFDZSQECX-UHFFFAOYSA-N,2,1,0.489,7,775,452.265,3.319,5,0.396,0.61,0.993,0.5285449934891372,0.6474967445685696,0.22787163319854706,0.3349324926324447,0.43471146597217464
EOS-2-05355,Clc1ccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cncnc5)c4)n23)nn1,HNEOLWKCSQWBIO-UHFFFAOYSA-N,2,1,0.467,55,486,452.265,3.319,5,0.37,0.58,1.0,0.4420618874648756,0.5702573504214927,0.4407682818175588,0.5159516140086354,0.4922597834281406
EOS-2-05356,Clc1cncc(COc2cncc3nnc(-c4cc(-c5ccnnc5)nc(Cl)n4)n23)c1,IHYRDHBXAYFPSF-UHFFFAOYSA-N,2,1,0.402,46,62,452.265,3.319,5,0.37,0.6,1.0,0.5462356932355562,0.47415358782811323,0.45158830786101023,0.5292474813241039,0.5003062675621959
EOS-2-05357,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cncc(Cl)n5)nc4)n23)cn1,LTDWCRZHIKCSDS-UHFFFAOYSA-N,2,1,0.438,7,94,452.265,3.319,5,0.396,0.6,1.0,0.5647659516140087,0.6622061544787883,0.3709221437872661,0.4397659516140086,0.5094150503735179
EOS-2-05358,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nn5)nn4)n23)cc1,IRFIYGPJFKYVMJ-UHFFFAOYSA-N,2,1,0.575,36,32,452.265,3.319,5,0.396,0.69,0.999,0.7655832362415187,0.9341631827839079,0.27081762730450276,0.44637105064765953,0.6042337742443972
EOS-2-05359,Clc1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4cccnn4)n23)cn1,QQKYSGTZRGEMKC-UHFFFAOYSA-N,2,1,0.435,55,94,452.265,3.319,5,0.37,0.59,0.862,0.5845469810156946,0.7293451442670139,0.30425433486395725,0.41469912960043864,0.5082113974367761
EOS-2-05360,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)nc1,WLXJFCXCCNNFBY-UHFFFAOYSA-N,2,1,0.43,51,434,452.265,3.319,5,0.37,0.62,1.0,0.67518504557604,0.7566736344321843,0.3559128915084641,0.4147076965252553,0.5506198170104859
EOS-2-05361,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)nn4)n23)cn1,YVTQZELMMDNUER-UHFFFAOYSA-N,2,1,0.407,54,411,452.265,3.319,5,0.37,0.68,0.66,0.434831402919608,0.4919128229730656,0.3709307107120828,0.4714464395860462,0.44228034404770067
EOS-2-05362,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nn2)cn1,CDMSTLGIZZXVMA-UHFFFAOYSA-N,2,1,0.381,54,94,452.265,3.319,5,0.37,0.64,0.964,0.48767219518881505,0.5857977520389281,0.35592145843328077,0.4651154821465287,0.47362672195188815
EOS-2-05363,Clc1cc(-c2nnc3cncc(OCc4cnc(-c5cncnc5Cl)cn4)n23)ccn1,LOVYAHPMHYLYIP-UHFFFAOYSA-N,2,1,0.462,7,94,452.265,3.319,5,0.292,0.69,0.974,0.5462442601603729,0.5952299362620793,0.45525495168254404,0.5222483037488863,0.5297443629634706
EOS-2-05364,Clc1cccc(-c2cnc(COc3cncc4nnc(-c5cncc(Cl)n5)n34)cn2)n1,RKFZOCWCBYZNOF-UHFFFAOYSA-N,2,1,0.407,7,94,452.265,3.319,5,0.37,0.67,0.999,0.4397145500651086,0.49192138989788226,0.282468645055171,0.3956548557329861,0.402439860187787
EOS-2-05365,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnn5)n4)n23)c(Cl)c1,NLSULSKTOVTOPX-UHFFFAOYSA-N,2,1,0.484,73,446,452.265,3.319,5,0.396,0.71,1.0,0.6415170310465356,0.8598965115482147,0.3896922760605853,0.5256236721266534,0.6041823726954972
EOS-2-05366,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nn2)cn1,WOGONPQTEGFDLN-UHFFFAOYSA-N,2,1,0.407,53,670,452.265,3.319,5,0.37,0.7,0.998,0.49756699335206633,0.6142827770543485,0.34847680076759646,0.46217702693441165,0.48062589952710577
EOS-2-05367,Clc1cc(COc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)ncn4)n23)ccn1,PJNPIRHWGOLEGK-UHFFFAOYSA-N,2,1,0.383,46,395,452.265,3.319,5,0.292,0.61,0.955,0.6017322321979303,0.5702659173463094,0.49651326159961623,0.5389024055924885,0.551853454184086
EOS-2-05368,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)nn4)n23)c(Cl)c1,WQUMPUNXPKOJET-UHFFFAOYSA-N,2,1,0.536,73,540,452.265,3.319,5,0.396,0.67,1.0,0.5705914604893427,0.8599050784730313,0.3189294770749092,0.48032177369611406,0.5574369474333494
EOS-2-05369,Clc1cncc(COc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)ncn4)n23)c1,ASDZLLAGWGTDAB-UHFFFAOYSA-N,2,1,0.398,46,113,452.265,3.319,5,0.37,0.62,0.758,0.632658830786101,0.542320608594339,0.48296038653964773,0.5389109725173052,0.5492126996093483
EOS-2-05370,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(Cl)cn5)nn4)n23)cc1,ZIIRTLDWLAVPBG-UHFFFAOYSA-N,2,1,0.584,73,82,452.265,3.319,5,0.396,0.66,1.0,0.7267750668220135,0.9186827496401891,0.21710300870399563,0.39566342265780274,0.5645560619560003
EOS-2-05371,Clc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ccn4)n23)nn1,WZMKPESSVGLMCY-UHFFFAOYSA-N,2,1,0.42,53,208,452.265,3.319,5,0.396,0.7,0.999,0.42603317113289013,0.47872832568021384,0.3444417791789459,0.4397745185388253,0.42224444863271876
EOS-2-05372,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)nn1,IHWXLJVSPMFHPJ-UHFFFAOYSA-N,2,1,0.449,55,434,452.265,3.319,5,0.37,0.64,1.0,0.5385168939757384,0.6915307381262422,0.4007864436981701,0.45570899869782744,0.5216357686244946
EOS-2-05373,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)cn1,MGQIFKFUVRZSJB-UHFFFAOYSA-N,2,1,0.476,55,434,452.265,3.319,5,0.37,0.6,1.0,0.7827599204989377,0.7736789801932699,0.46927900760742924,0.47741758618326363,0.6257838736207251
EOS-2-05374,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)nc1,QNTXOBXWCXPEDM-UHFFFAOYSA-N,2,1,0.437,51,196,452.265,3.319,5,0.396,0.63,0.999,0.6102648893153314,0.7109776574600781,0.29321156877527244,0.389777945308752,0.5010580152148585
EOS-2-05375,Cn1nc(-c2ncco2)cc1COc1cncc2nnc(-c3ccc(Br)cc3)n12,AQEHQONJJQQDJY-UHFFFAOYSA-N,2,1,0.556,4,32,452.272,3.521,5,0.403,0.65,1.0,0.6242803783154,0.6669436639024056,0.24955451990953328,0.24934891371393325,0.447531868960318
EOS-2-05376,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccccn4)c(Cl)c3)n12,HLFPKMFVLMAIIL-UHFFFAOYSA-N,2,1,0.488,57,145,452.276,6.092,5,0.33,0.74,1.0,0.8982249331779865,0.9186913165650058,0.962759577821945,0.9773490507847303,0.9392562195874169
EOS-2-05377,Fc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)ccc1-c1ccc(Cl)cn1,RNNAJINWCMOXQC-UHFFFAOYSA-N,2,1,0.622,57,236,452.276,6.092,5,0.33,0.79,1.0,0.9123346583510383,0.9385751490644918,0.9636591049276951,0.9797991912822973,0.9485920259063807
EOS-2-05378,Fc1c(Cl)cccc1Oc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)cc3)n12,DLSAGLYOWDRJHR-UHFFFAOYSA-N,2,1,0.488,57,913,452.276,6.092,5,0.309,0.82,1.0,0.9092162977177712,0.9567284627510109,0.972817147556713,0.9817438832156808,0.955126447810294
EOS-2-05379,Fc1cc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)ccc1Cl,MKCKDQDOXQGYCE-UHFFFAOYSA-N,2,1,0.662,57,913,452.276,6.092,5,0.309,0.86,1.0,0.9411366595846755,0.9537814406140772,0.9748903433623467,0.9841254883147146,0.9634834829689535
EOS-2-05380,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)c2)cc1,OUBHHKKWCQNTSH-UHFFFAOYSA-N,2,1,0.442,57,236,452.276,6.092,5,0.33,0.84,1.0,0.7655918031663355,0.8655506819272154,0.9627681447467618,0.9808700568843808,0.8936951716811733
EOS-2-05381,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)cc3)n12,QPBAQBHJYPNEFY-UHFFFAOYSA-N,2,1,0.525,57,913,452.276,6.092,5,0.309,0.84,1.0,0.8839524364334178,0.9452316496470426,0.9716691796312795,0.9817524501404976,0.9456514289630593
EOS-2-05382,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)ccn3)n12,XAUCXVATXZRLAM-UHFFFAOYSA-N,2,1,0.452,57,236,452.276,6.092,5,0.33,0.86,1.0,0.7712288396957029,0.8369457199643616,0.9627767116715784,0.9805445137413474,0.8878739462682476
EOS-2-05383,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)cc1Cl,BHQPPSFLARFCMV-UHFFFAOYSA-N,2,1,0.605,13,236,452.276,6.092,5,0.33,0.79,1.0,0.8565040093208142,0.9046072921664039,0.9745476663696799,0.9869868412034816,0.9306614522650948
EOS-2-05384,Fc1ccc(-c2cccnc2-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)cc1,HPTIESUKCRSCMI-UHFFFAOYSA-N,2,1,0.42,57,236,452.276,6.092,5,0.33,0.75,1.0,0.7595521211705846,0.8655592488520321,0.9460540744294428,0.9732112260982798,0.8860941676375848
EOS-2-05385,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)cc1Cl,SLDFSNXVFOTHBS-UHFFFAOYSA-N,2,1,0.538,57,236,452.276,6.092,5,0.33,0.82,1.0,0.8384363648824618,0.9046158590912207,0.9667688986361456,0.9822150640805977,0.9230090466726064
EOS-2-05386,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(Cl)nc(-c4ccccc4)c3)n12,PVLBKJWQBTZDDW-UHFFFAOYSA-N,2,1,0.482,57,480,452.276,6.092,5,0.309,0.81,1.0,0.8475944075114796,0.8954749503118361,0.947698923994243,0.9692019052840792,0.9149925467754095
EOS-2-05387,Fc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)ccc1Cl,IROGRSQKZQNWFF-UHFFFAOYSA-N,2,1,0.514,57,417,452.276,6.092,5,0.33,0.89,1.0,0.957088273593311,0.980424576793914,0.9713265026386129,0.9822236310054143,0.9727657460078131
EOS-2-05388,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cccc(-c4ccc(Cl)cn4)c3)n12,NOQDNVPIUQVKAZ-UHFFFAOYSA-N,2,1,0.488,57,145,452.276,6.092,5,0.33,0.77,1.0,0.8153742032759921,0.8629549037077651,0.9612175313549448,0.9760468782125968,0.9038983791378248
EOS-2-05389,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)c(Cl)c1,RKLYDNNUJIISNW-UHFFFAOYSA-N,2,1,0.5,13,236,452.276,6.092,5,0.33,0.79,1.0,0.7855870056884381,0.8686776094852992,0.9713350695634295,0.9847765746007813,0.902594064834487
EOS-2-05390,Fc1cccc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccc2Cl)n1,MDYCMTSCWXTIFL-UHFFFAOYSA-N,2,1,0.46,57,480,452.276,6.092,5,0.309,0.74,1.0,0.880182989514084,0.9507059146048934,0.9575851552326777,0.9756870673702968,0.9410402816804879
EOS-2-05391,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cccnc3Oc3ccc(Cl)cc3)n12,QJJAMRFYTLQTKQ-UHFFFAOYSA-N,2,1,0.43,45,533,452.276,6.092,5,0.33,0.77,1.0,0.6242889452402166,0.8715903639229662,0.9501404975669934,0.9715235419093962,0.8543858371598931
EOS-2-05392,Fc1cc(Cl)ccc1Oc1ncccc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,JGTAICCIGYTXPO-UHFFFAOYSA-N,2,1,0.395,83,533,452.276,6.092,5,0.33,0.78,1.0,0.6187290110341992,0.9069888972654376,0.9547066684942773,0.9719861558494962,0.8631026831608526
EOS-2-05393,Fc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5cccc(Cl)c5)ccn4)n23)c1,GHYMFBXMPVETBQ-UHFFFAOYSA-N,2,1,0.46,57,236,452.276,6.092,5,0.33,0.86,1.0,0.7175399218696457,0.7989342745528065,0.9601209649784114,0.9801333013501473,0.8641821156877527
EOS-2-05394,Fc1ccc(Oc2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,FHBOVYKIKJRUQV-UHFFFAOYSA-N,2,1,0.443,83,533,452.276,6.092,5,0.309,0.83,1.0,0.6214875608251662,0.8930762113631691,0.9447262010828593,0.971994722774313,0.8578211740113769
EOS-2-05395,Fc1nc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1ccccc1Cl,QSHMRELCUPOPOV-UHFFFAOYSA-N,2,1,0.531,57,616,452.276,6.092,5,0.309,0.8,1.0,0.7684702899047358,0.8797375094236173,0.944734768007676,0.9727229113837297,0.8914163696799398
EOS-2-05396,Cc1nc(-c2ccc(F)c(Cl)c2)nc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,LGDRADUCOUOHSE-UHFFFAOYSA-N,2,1,0.429,45,316,452.28,5.065,5,0.381,0.84,1.0,0.5052258241381674,0.777928174902337,0.7534524707011171,0.8686262079363991,0.7263081694195052
EOS-2-05397,Cc1onc(-c2ccccc2Cl)c1COc1cncc2nnc(-c3ccccc3Cl)n12,BPBXAHBRESOPEY-UHFFFAOYSA-N,2,1,0.557,57,671,452.301,5.641,5,0.344,0.73,1.0,0.6992152696867933,0.7478497018710164,0.7101723665273113,0.82517476526626,0.7456030258378452
EOS-2-05398,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,MAQJYIVQKAGQBU-UHFFFAOYSA-N,2,1,0.658,57,798,452.301,5.641,5,0.344,0.79,1.0,0.9475875539716263,0.9260588719073402,0.7764460969090535,0.8570951271331643,0.876796912480296
EOS-2-05399,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)c2)cc1,QMNHSEDZLPFOKP-UHFFFAOYSA-N,2,1,0.524,11,137,452.301,5.375,5,0.345,0.75,1.0,0.8333390446165444,0.8148173531629086,0.8640600370091152,0.9042903159481872,0.8541266876841889
EOS-2-05400,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2Cl)n1,MMIHKEGXSMJJRZ-UHFFFAOYSA-N,2,1,0.542,16,214,452.305,4.473,5,0.366,0.65,1.0,0.6271845658282503,0.6328987046809678,0.7916695223082723,0.8065417037900076,0.7145736241518745
EOS-2-05401,Cn1c(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cnc1Cl,JINFVHOAXQFRTF-UHFFFAOYSA-N,2,1,0.6,16,772,452.305,4.473,5,0.391,0.68,1.0,0.8930505105887191,0.8404838599136454,0.7648721814817353,0.8023182098553903,0.8251811904598725
EOS-2-05402,CCn1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)c(Cl)c5)n34)c2)n1,HMAKOPQIFLZHPH-UHFFFAOYSA-N,2,1,0.561,13,995,452.305,5.169,5,0.366,0.65,1.0,0.4491467342882599,0.4787368926050305,0.7285398533342471,0.77478411349462,0.6078018984305393
EOS-2-05403,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)ccn1,WKZZWBDMLOCGDJ-UHFFFAOYSA-N,2,1,0.494,24,332,452.305,4.473,5,0.391,0.68,1.0,0.6102734562401481,0.5423291755191556,0.7739959564114866,0.8131896374477418,0.6849470564046329
EOS-2-05404,Clc1cc(Cl)nc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]cn5)cc4)n23)c1,UDERJBXKNIETAL-UHFFFAOYSA-N,2,1,0.506,15,922,452.305,4.505,5,0.381,0.61,1.0,0.912343225275855,0.8336645877595779,0.6866561579055582,0.7547032417243507,0.7968418031663353
EOS-2-05405,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ccc(Cl)cc1,AOPPFXFVVRXMEF-UHFFFAOYSA-N,2,1,0.5,95,965,452.305,4.473,5,0.391,0.71,1.0,0.36532794188198203,0.4919299568226989,0.6423394558289356,0.7444143650195326,0.5610029298882873
EOS-2-05406,Cn1cncc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,MNLSILFYAMGUKK-UHFFFAOYSA-N,2,1,0.512,4,911,452.305,4.473,5,0.391,0.7,1.0,0.5758258515523268,0.6669522308272222,0.7695925570557193,0.8044513741347405,0.7042055033925021
EOS-2-05407,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c(Cl)n1,GIQBCEXXSFHWMG-UHFFFAOYSA-N,2,1,0.535,91,273,452.305,4.505,5,0.381,0.53,1.0,0.9563086834349942,0.9206103077239394,0.7153810568158454,0.7747926804194366,0.8417731820985538
EOS-2-05408,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)c(Cl)c1,VFTMIWXYMOOCBN-UHFFFAOYSA-N,2,1,0.534,84,672,452.305,4.505,5,0.408,0.61,1.0,0.840646631485162,0.8902491261736687,0.7511908025495169,0.8086663011445412,0.8226882153382222
EOS-2-05410,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5c(Cl)cccc5Cl)n34)cc2)nn1,RFUUOUMVXRLOCI-UHFFFAOYSA-N,2,1,0.55,43,178,452.305,4.473,5,0.391,0.75,1.0,0.627193132753067,0.6915393050510589,0.771999862929203,0.8232300733328765,0.7284905935165513
EOS-2-05411,Cn1nc(-c2nnc3cncc(OCc4ncccc4Cl)n23)cc1-c1ccc(Cl)cc1,KAYYOARTRUAEFQ-UHFFFAOYSA-N,2,1,0.477,95,965,452.305,4.473,5,0.391,0.79,0.877,0.3607617709546981,0.46982729079569596,0.6033513809882805,0.7283513809882805,0.5405729559317387
EOS-2-05412,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c(Cl)c2)n1,ZQFHKAMJBABRDR-UHFFFAOYSA-N,2,1,0.5,4,554,452.305,4.473,5,0.366,0.72,1.0,0.49500548283188267,0.6045421835377973,0.707730792954561,0.747164347885683,0.638610701802481
EOS-2-05413,Cn1nc(-c2ccnc(Cl)c2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,PNBAAIQPIFROOS-UHFFFAOYSA-N,2,1,0.542,34,32,452.305,4.473,5,0.366,0.74,1.0,0.6720838187924063,0.8263655678157769,0.6922417928860256,0.7573846891919677,0.7370189671715441
EOS-2-05414,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccc5Cl)n34)c2)n1,DCXBPHCPVLHJCL-UHFFFAOYSA-N,2,1,0.488,2,109,452.305,4.473,5,0.391,0.62,1.0,0.5002655746693166,0.5471523541909397,0.8062589952710575,0.8333390446165444,0.6717539921869645
EOS-2-05416,Cn1ccnc1-c1nccc(Cl)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,NAWDKQFLRUBOIS-UHFFFAOYSA-N,2,1,0.6,16,772,452.305,4.473,5,0.391,0.69,1.0,0.8655506819272154,0.8369542868891783,0.587348365430745,0.7014598039887602,0.7478282845589747
EOS-2-05417,Cc1cc(-c2nnc3cncc(OCc4ncnn4-c4ccc(Cl)cc4)n23)ccc1Cl,SDIAXHUTFALEOH-UHFFFAOYSA-N,2,1,0.518,34,612,452.305,4.566,5,0.389,0.68,1.0,0.5257864436981701,0.6572544719347543,0.659584675484888,0.765189157699952,0.651953687204441
EOS-2-05418,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)ccn1,IEZMDIDMMTZIJR-UHFFFAOYSA-N,2,1,0.536,34,389,452.305,4.473,5,0.391,0.67,1.0,0.6102820231649647,0.7779367418271538,0.7438746487560826,0.7818346926187376,0.7284820265917347
EOS-2-05419,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1Cl,RJDXJYWZFOHOMT-UHFFFAOYSA-N,2,1,0.561,16,772,452.305,4.473,5,0.366,0.74,1.0,0.7797614968131039,0.7736875471180865,0.7462476869302995,0.777182852443287,0.7692198958261942
EOS-2-05420,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)nc(Cl)c4)n23)cc1,AADUHKZGBQHTTA-UHFFFAOYSA-N,2,1,0.471,13,374,452.305,5.169,5,0.342,0.72,1.0,0.7238366116098965,0.666960797752039,0.7438832156808992,0.7573932561167843,0.7230184702899047
EOS-2-05421,Cc1ccc(-c2nnc3cncc(OCc4ncnn4-c4ccc(Cl)cc4Cl)n23)cc1,YPSMNLVRSRBQLZ-UHFFFAOYSA-N,2,1,0.506,43,612,452.305,4.566,5,0.389,0.76,1.0,0.6017407991227469,0.6280412583099171,0.6066410801178809,0.723125556850113,0.6398871736001646
EOS-2-05422,Cn1cncc1-c1cc(Cl)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,LHJJXHCNFYGADY-UHFFFAOYSA-N,2,1,0.494,16,772,452.305,4.473,5,0.391,0.66,1.0,0.567747241450209,0.5378572407648551,0.8126584881091083,0.835309437324378,0.6883931019121377
EOS-2-05423,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4Cl)n23)n1,ANWHUQRFJJIQKJ-UHFFFAOYSA-N,2,1,0.489,4,820,452.305,4.473,5,0.366,0.75,1.0,0.40536118155027073,0.5564046329929409,0.6213933246521829,0.7041069837571106,0.5718165307381262
EOS-2-05425,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2Cl)cn1,RYMYAEMABSMZAY-UHFFFAOYSA-N,2,1,0.53,16,55,452.305,4.473,5,0.366,0.67,1.0,0.6596789116578713,0.6815931053389076,0.8424199849222124,0.852203413062847,0.7589738537454596
EOS-2-05426,Cn1nc(-c2ccc(Cl)nc2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,AUEVIKPJJTXJRB-UHFFFAOYSA-N,2,1,0.568,34,32,452.305,4.473,5,0.366,0.74,1.0,0.6689483243095059,0.8336731546843945,0.6893890069220753,0.7547118086491673,0.7366805736412858
EOS-2-05427,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2Cl)cn1,XXPTXQRIADDFIU-UHFFFAOYSA-N,2,1,0.537,16,772,452.305,4.473,5,0.391,0.64,1.0,0.6298403125214174,0.6329072716057844,0.8342899732711946,0.8537625933794805,0.7377000376944691
EOS-2-05428,Cn1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1ccc(Cl)cc1,CLVZNNZCFUOBAT-UHFFFAOYSA-N,2,1,0.5,95,965,452.305,4.473,5,0.366,0.77,1.0,0.47017853471317933,0.5241501610581866,0.7026848742375437,0.7797529298882873,0.6191916249742992
EOS-2-05429,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1-c1ccc(Cl)cc1,RGJDLXWLMKQMSE-UHFFFAOYSA-N,2,1,0.524,95,965,452.305,4.473,5,0.366,0.78,1.0,0.4628623809197451,0.49193852374751557,0.6947690357069426,0.7701579740936193,0.6049319786169556
EOS-2-05430,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)cc2)n1,HFFNACHGZWYRHI-UHFFFAOYSA-N,2,1,0.544,16,980,452.305,4.473,5,0.391,0.66,1.0,0.6992238366116099,0.6280498252347337,0.7720084298540196,0.7957902131450895,0.7237680762113632
EOS-2-05431,Cc1ncc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(Cl)c2)n1C,SOEYEPLEDJNFSS-UHFFFAOYSA-N,2,1,0.494,13,412,452.305,4.994,5,0.382,0.75,1.0,0.7084247138647112,0.7566822013570009,0.6624031937495717,0.6932612569392091,0.7051928414776233
EOS-2-05432,Cn1cnc(-c2ccc(Cl)nc2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,YFEBJXNJKYMVOX-UHFFFAOYSA-N,2,1,0.554,4,32,452.305,4.473,5,0.366,0.68,1.0,0.7884055239531218,0.830254951682544,0.6453892810636694,0.7283599479130971,0.7481024261531081
EOS-2-05433,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccc(Cl)cc1,XCQGOBYADBHHRA-UHFFFAOYSA-N,2,1,0.506,95,965,452.305,4.473,5,0.391,0.75,1.0,0.45381570831334384,0.4698358577205126,0.6893975738468919,0.7818432595435543,0.5987230998560757
EOS-2-05435,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)ccn2)cn1,IHDDKOKUQLHBNK-UHFFFAOYSA-N,2,1,0.488,13,110,452.305,5.169,5,0.366,0.7,1.0,0.3514666575286135,0.45219655952299365,0.7233311630457131,0.7675964635734357,0.573647710917689
EOS-2-05436,Fc1cccc(Cl)c1-c1nnc2cncc(OCCc3ccc(Br)cc3)n12,CUXWCBQDDAXLLS-UHFFFAOYSA-N,2,1,0.797,23,906,447.695,4.968,4,0.433,0.89,1.0,0.9675399218696457,0.972405935165513,0.9292543348639573,0.9523507641696937,0.9553877390172024
EOS-2-05437,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1Cl,KGXHEYUMJSSNJU-UHFFFAOYSA-N,2,1,0.757,91,781,452.305,4.505,5,0.408,0.7,1.0,0.9579021314508944,0.902182852443287,0.7983345898156398,0.8312230141868275,0.8724106469741622
EOS-2-05438,Cn1cc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,KKUHOHLYSHZMRY-UHFFFAOYSA-N,2,1,0.5,16,772,452.305,4.473,5,0.391,0.78,1.0,0.6187375779590158,0.6526283325337536,0.82525186758961,0.8468662189020629,0.7358709992461107
EOS-2-05439,Cn1ncc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1-c1ccc(Cl)cc1,CKCWQPOABKAUNJ-UHFFFAOYSA-N,2,1,0.548,4,32,452.305,4.473,5,0.391,0.7,1.0,0.3699540812829827,0.5060225481461175,0.6568004249194709,0.7651977246247686,0.5744936947433349
EOS-2-05440,Cn1nc(-c2ccc(Cl)cn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,UVGNVUSIPFKRTO-UHFFFAOYSA-N,2,1,0.549,34,32,452.305,4.473,5,0.391,0.7,1.0,0.672092385717223,0.8629634706325817,0.6243831814131999,0.7206325817284628,0.7200179048728669
EOS-2-05441,Cn1nc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)cc1-c1ccc(Cl)nc1,LJFLLQGKTJJQDN-UHFFFAOYSA-N,2,1,0.512,95,965,452.305,4.473,5,0.366,0.8,1.0,0.46287094784456173,0.4919470906723323,0.6947776026317593,0.7797614968131039,0.6073392844904393
EOS-2-05442,Cn1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)c(Cl)c5)c4)n23)n1,CWLMWPJVKXFHRN-UHFFFAOYSA-N,2,1,0.466,2,884,452.305,4.473,5,0.391,0.73,1.0,0.41900829278322255,0.5241587279830032,0.7811236378589541,0.817361729833459,0.6354130971146597
EOS-2-05443,Cn1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1Cl,LSOLFMPCIKNYGV-UHFFFAOYSA-N,2,1,0.608,16,772,452.305,4.473,5,0.391,0.73,1.0,0.7208296209992461,0.7947022136933726,0.7936056473168391,0.8292611884038106,0.7845996676033171
EOS-2-05444,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)cn1,WSMVRQLEOSFPSX-UHFFFAOYSA-N,2,1,0.568,4,10,452.305,4.473,5,0.391,0.75,1.0,0.4728856829552464,0.7388201631142485,0.7959615516414228,0.8153742032759921,0.7057604002467275
EOS-2-05446,CCn1cncc1-c1cncc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)c1,PDKZKJLFZUHCRP-UHFFFAOYSA-N,2,1,0.43,13,995,452.305,5.169,5,0.366,0.71,1.0,0.46778836268932905,0.5518898636145569,0.7740045233363032,0.8109022685216914,0.6511462545404701
EOS-2-05447,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)cn2)cn1,JXFFDWWXXIMPOT-UHFFFAOYSA-N,2,1,0.461,13,995,452.305,5.169,5,0.366,0.72,1.0,0.4012490576382702,0.5286820642862038,0.7153896237406621,0.7625676787060517,0.6019721060927969
EOS-2-05448,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1Cl,FTUAIPYNSJTMAU-UHFFFAOYSA-N,2,1,0.512,16,55,452.305,4.473,5,0.366,0.63,1.0,0.7418528544993489,0.6719039133712562,0.8292183537797272,0.8412891508464122,0.7710660681241861
EOS-2-05449,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c(Cl)c1,MMVHPRIBXRLYDN-UHFFFAOYSA-N,2,1,0.506,16,353,452.305,4.473,5,0.366,0.73,1.0,0.7267836337468302,0.7247361387156467,0.7511993694743335,0.7797700637379207,0.7456223014186828
EOS-2-05451,Cn1ccc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)n1,OPIJGLFUHSSDOQ-UHFFFAOYSA-N,2,1,0.477,16,55,452.305,4.473,5,0.366,0.73,1.0,0.5902868206428621,0.7293537111918306,0.7855784387636214,0.8065502707148242,0.7279423103282845
EOS-2-05452,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)cc1,HGPXNQJYCVLEIA-UHFFFAOYSA-N,2,1,0.538,16,980,452.305,4.473,5,0.391,0.69,1.0,0.8153827702008087,0.6475053114933863,0.8042971694880405,0.8251833321910766,0.773092145843328
EOS-2-05453,OCc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1Br,JOWOWAZWAKMXIF-UHFFFAOYSA-N,2,1,0.524,90,196,447.68,3.069,4,0.502,0.7,1.0,0.8499674456856967,0.8032091700363237,0.5937992598176959,0.6148824617915153,0.7154645843328079
EOS-2-05454,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cc4)n23)cc1,BXROTGIIIKRPGD-UHFFFAOYSA-N,2,1,0.831,48,444,452.339,4.87,4,0.373,0.87,1.0,0.9916129806044822,0.9712322664656295,0.9982866150366665,0.9949540812829827,0.9890214858474402
EOS-2-05456,FC(F)Oc1ccc(-c2nnc3cncc(-c4cnc(OCCC(F)(F)F)nc4)n23)cc1,ZEQJOFGQOOUWLW-UHFFFAOYSA-N,2,1,0.506,68,305,452.343,4.181,4,0.389,0.78,1.0,0.744868412034816,0.7694297854842026,0.9716777465560962,0.9363391816873415,0.8555787814406141
EOS-2-05457,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4)n23)cc1C(F)(F)F,WTUPWIBHZHAWST-UHFFFAOYSA-N,2,1,0.392,96,558,452.352,5.04,5,0.277,0.76,1.0,0.3653365088067987,0.23966828867109863,0.9581591391953944,0.8571036940579809,0.6050669076828181
EOS-2-05458,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)nc2)cc1F,AUYHMIOQDOAFPL-UHFFFAOYSA-N,2,1,0.444,59,469,452.371,4.384,5,0.368,0.69,1.0,0.7448769789596327,0.8071585223768076,0.9595983825645946,0.9575937221574944,0.8673069015146323
EOS-2-05459,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4cccnc4F)nc3)n12,WBJLNNCOMQYPRS-UHFFFAOYSA-N,2,1,0.412,96,121,452.371,4.795,5,0.282,0.8,0.997,0.6102905900897814,0.8998783496676033,0.9728257144815297,0.9671801110273456,0.8625436913165649
EOS-2-05460,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)nc1,XPFPLEPORRNBQX-UHFFFAOYSA-N,2,1,0.483,59,577,452.371,4.384,5,0.291,0.67,1.0,0.854473648139264,0.8505928311973134,0.9683195120279624,0.962399766979645,0.9089464395860463
EOS-2-05461,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cccc(F)c5F)ncn4)n23)c(F)c1,HWBLFOZDRMOHGB-UHFFFAOYSA-N,2,1,0.451,44,488,452.371,4.384,5,0.368,0.8,0.95,0.8103368514837914,0.8032177369611404,0.9622883969570283,0.9641731204166952,0.8850040264546639
EOS-2-05462,Fc1cc(F)c(COc2cncc3nnc(-c4cncc(-c5cnccc5F)c4)n23)cc1F,MPWLMDGNSIIWLA-UHFFFAOYSA-N,2,1,0.506,59,884,452.371,4.384,5,0.291,0.63,1.0,0.8611986841203482,0.8629720375573984,0.9767664998971969,0.9748046741141799,0.9189354739222808
EOS-2-05463,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)cc1F,MTNYLXUXTFBGBX-UHFFFAOYSA-N,2,1,0.449,59,153,452.371,4.384,5,0.368,0.64,1.0,0.805111027345624,0.7341511890891645,0.9667774655609622,0.9657408676581455,0.8679451374134741
EOS-2-05464,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)ccn2)cc1F,PCLDOUFKIMSEKN-UHFFFAOYSA-N,2,1,0.556,59,577,452.371,4.384,5,0.368,0.66,1.0,0.9342231512576246,0.884903365088068,0.9641045850181619,0.9624083339044617,0.936409858817079
EOS-2-05465,Fc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)n5)c4)n23)c1,WNJARLQIOVJFLN-UHFFFAOYSA-N,2,1,0.472,59,109,452.371,4.384,5,0.291,0.61,1.0,0.8820248783496676,0.8567524501404976,0.9627852785963951,0.9593328078952779,0.9152238537454596
EOS-2-05466,Fc1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)nnc1F,ULCJGMDOEUFXIC-UHFFFAOYSA-N,2,1,0.511,43,630,452.371,4.384,5,0.368,0.6,1.0,0.9092248646425879,0.89988691659242,0.9570454389692276,0.9529675827564937,0.9297812007401823
EOS-2-05467,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ncn2)c(F)c1,HVUAEYNDYTUVPZ-UHFFFAOYSA-N,2,1,0.612,44,488,452.371,4.384,5,0.368,0.71,0.982,0.9178431910081557,0.862980604482215,0.9646100335823453,0.9657494345829621,0.9277958159139196
EOS-2-05468,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cn2)cn1,HVKBADLAMKZYOR-UHFFFAOYSA-N,2,1,0.512,59,109,452.371,4.384,5,0.224,0.75,1.0,0.9284576108560071,0.9371530395449249,0.9688592282914125,0.9593413748200946,0.9484528133781098
EOS-2-05469,Fc1cnnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)c1,GZIWBQPJNFGGII-UHFFFAOYSA-N,2,1,0.511,34,630,452.371,4.384,5,0.291,0.53,1.0,0.8949266671235693,0.8930847782879857,0.9671544102528956,0.9630165855664451,0.929545610307724
EOS-2-05470,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)cc1F,NMDAQLSNTGZMOK-UHFFFAOYSA-N,2,1,0.5,59,89,452.371,4.384,5,0.368,0.67,1.0,0.8982335001028031,0.9046244260160373,0.9679082996367624,0.9647042697553286,0.9338676238777328
EOS-2-05471,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2F)cn1,MNWSBSICBKFEIN-UHFFFAOYSA-N,2,1,0.529,59,469,452.371,4.384,5,0.291,0.6,1.0,0.8634603522719485,0.897745185388253,0.9658865053800287,0.9611318621067781,0.9220559762867522
EOS-2-05472,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cn2)c(F)c1,UJYASMBALNSUTR-UHFFFAOYSA-N,2,1,0.506,59,469,452.371,4.384,5,0.368,0.74,1.0,0.812898362003975,0.9021914193681037,0.9559060379686107,0.9542954561030772,0.9063228188609417
EOS-2-05473,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)ncc2F)c1,HEGKRNPDUMVGKD-UHFFFAOYSA-N,2,1,0.535,34,146,452.371,4.384,5,0.368,0.75,1.0,0.9030224110753204,0.9463110821739429,0.8982335001028031,0.9197536152422726,0.9168301521485848
EOS-2-05474,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cc1-c1cccnn1,SOPDZNVYPRVVEJ-UHFFFAOYSA-N,2,1,0.536,34,146,452.371,4.384,5,0.291,0.73,1.0,0.9284661777808237,0.9242940853951066,0.9696045507504626,0.9652011513946953,0.9468914913302721
EOS-2-05475,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5F)n34)nn2)c1F,USJWOCYCGGCLRX-UHFFFAOYSA-N,2,1,0.494,34,671,452.371,4.384,5,0.368,0.78,1.0,0.8181755876910424,0.8506013981221301,0.9331180179562745,0.9422674936604757,0.8860406243574807
EOS-2-05476,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)n2)cn1,UYZOGOYFPIXDGV-UHFFFAOYSA-N,2,1,0.467,59,436,452.371,4.384,5,0.224,0.76,1.0,0.8153913371256254,0.9089849907477212,0.9488811596189431,0.9397659516140087,0.9032558597765745
EOS-2-05477,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)cnn4)n23)cc1F,XQHBYKQYAYRZIN-UHFFFAOYSA-N,2,1,0.595,59,13,452.371,4.384,5,0.368,0.68,1.0,0.8612072510451648,0.8439020629154959,0.9716863134809129,0.9740250839558632,0.9127051778493592
EOS-2-05478,Fc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)c2)ccn1,CQSRJZIPYNBWBZ-UHFFFAOYSA-N,2,1,0.506,59,71,452.371,4.384,5,0.224,0.67,1.0,0.7448855458844493,0.904632992940854,0.9654667260640121,0.9569683366458775,0.8929884003837982
EOS-2-05479,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)ncc2F)c1,MEBSNENIQCCGIG-UHFFFAOYSA-N,2,1,0.541,34,210,452.371,4.384,5,0.368,0.74,1.0,0.9403313686519087,0.9637533411006785,0.9135425947501885,0.9279521622918238,0.9363948666986499
EOS-2-05480,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc(F)c(F)nn5)cc4)n23)cc1F,FCMQVNIGUXNQPR-UHFFFAOYSA-N,2,1,0.716,43,96,452.371,4.384,5,0.368,0.55,1.0,0.9808700568843808,0.9612603659790282,0.9636676718525118,0.957602289082311,0.965850095949558
EOS-2-05481,Fc1cc(F)cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cn2)c1,NLWDIJNNJHUZBW-UHFFFAOYSA-N,2,1,0.566,59,469,452.371,4.384,5,0.368,0.6,1.0,0.726792200671647,0.8741518744431499,0.9539099444863272,0.9529761496813104,0.8769575423206086
EOS-2-05482,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)c(F)c1,DIKBEZRYLASHHH-UHFFFAOYSA-N,2,1,0.512,59,526,452.371,4.384,5,0.291,0.62,1.0,0.8721729148104996,0.8797460763484339,0.9526420396134604,0.9518196148310603,0.9140951614008636
EOS-2-05483,Cc1ncc(-c2nc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ccc2F)cc1F,MFHPOFJIPJGSBU-UHFFFAOYSA-N,2,1,0.379,13,145,452.371,4.905,5,0.361,0.76,1.0,0.7084332807895278,0.7651034884517853,0.9308392159550408,0.9279607292166404,0.8330841786032486
EOS-2-05484,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)cc4)n23)cc1F,PANFJZIDYYHBGY-UHFFFAOYSA-N,2,1,0.506,34,469,452.371,4.384,5,0.291,0.61,1.0,0.9207131108217395,0.9326725378658077,0.952650606538277,0.9437581385785758,0.9374485984511001
EOS-2-05485,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)nc2)cn1,AWRIBSFNSRIQLX-UHFFFAOYSA-N,2,1,0.465,59,445,452.371,4.384,5,0.224,0.7,1.0,0.8612158179699815,0.8537454595298472,0.967916866561579,0.9624169008292783,0.9113237612226716
EOS-2-05486,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c(F)cn2)cn1,UQTALABVUWTVPI-UHFFFAOYSA-N,2,1,0.58,59,89,452.371,4.384,5,0.291,0.66,1.0,0.9599067918579947,0.9596069494894113,0.9674713864711123,0.962425467754095,0.9623526488931533
EOS-2-05487,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5c(F)ccc(F)c5F)n34)c2)nc1,LECYPRQEMHUYHT-UHFFFAOYSA-N,2,1,0.477,59,877,452.371,4.384,5,0.291,0.6,1.0,0.8699626482077993,0.8506099650469467,0.9553149201562607,0.9510828592968268,0.9067425981769583
EOS-2-05488,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(F)c5)cc4F)n23)cn1,FVHDRRLSGDNLPP-UHFFFAOYSA-N,2,1,0.512,59,89,452.371,4.384,5,0.291,0.72,1.0,0.9331437187307244,0.9309591529024741,0.967479953395929,0.9600352957302447,0.947904530189843
EOS-2-05489,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)ncc2F)cn1,BTIUXJUDGAPIFA-UHFFFAOYSA-N,2,1,0.529,59,71,452.371,4.384,5,0.291,0.69,1.0,0.9060808032348708,0.9441179494208759,0.9663919539442122,0.9624340346789116,0.9447561853197177
EOS-2-05490,COCc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)o1,BJKMYYWHPHIQRU-UHFFFAOYSA-N,2,1,0.417,55,564,452.381,2.635,5,0.364,0.67,1.0,0.6047563566582139,0.4971300801864163,0.35223768076211365,0.31611952573504215,0.4425609108354465
EOS-2-05491,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nc2F)o1,GIOSVEIFTTZFPF-UHFFFAOYSA-N,2,1,0.41,58,237,452.381,2.54,5,0.34,0.56,0.997,0.6187461448838325,0.47874545952984715,0.1667808923308889,0.14351312452881915,0.351946405318347
EOS-2-05492,Cc1noc(-c2cncc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)n1,BMCZNRLUIYKDMS-UHFFFAOYSA-N,2,1,0.614,7,408,452.381,3.12,5,0.363,0.74,1.0,0.5706000274141594,0.5656997464190254,0.4333236241518744,0.37032245905009936,0.4849864642587896
EOS-2-05493,COc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1noc(C)n1,IIPVQKFBXLNLOA-UHFFFAOYSA-N,2,1,0.406,46,896,452.381,2.806,5,0.379,0.6,1.0,0.492649578507299,0.46113186210677815,0.2457679391405661,0.18335789185114112,0.3457268179014461
EOS-2-05494,Cn1nc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(OC(F)F)nc3)n12,CVGMQELVJYHMST-UHFFFAOYSA-N,2,1,0.408,36,185,452.385,1.952,5,0.361,0.69,0.785,0.44915530121307656,0.46984442464532933,0.13919539442121856,0.1322133506956343,0.2976021177438147
EOS-2-05495,FC(F)OCn1nnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)n1,RZJZJZJPPVPVII-UHFFFAOYSA-N,2,1,0.432,36,404,452.385,2.01,5,0.344,0.65,0.973,0.33038345555479404,0.41683229387978893,0.23881159618943185,0.26456377218833527,0.3126477794530875
EOS-2-05496,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5nnnn5C(F)F)n34)cc2)cc1=O,RWQFRDLJLDZOPZ-UHFFFAOYSA-N,2,1,0.429,36,447,452.385,1.513,5,0.376,0.62,1.0,0.432638270166541,0.3928963059420191,0.15410184360222054,0.1535535604139538,0.2832974950311836
EOS-2-05497,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c(F)c2)o1,DLCACDOJBOKZRS-UHFFFAOYSA-N,2,1,0.692,88,781,452.396,4.189,5,0.382,0.72,1.0,0.9547752038928107,0.9186998834898225,0.8292269207045438,0.802326776780207,0.8762571962168461
EOS-2-05498,FC(F)(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5ccco5)n34)ccn2)cn1,NIKJGTSQDNVCKQ-UHFFFAOYSA-N,2,1,0.662,27,796,452.396,4.482,5,0.375,0.8,1.0,0.92461962853814,0.859913645397848,0.9292629017887739,0.8251918991158934,0.8847470187101638
EOS-2-05499,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cc2F)o1,PMFXVFMTJPZKAI-UHFFFAOYSA-N,2,1,0.581,88,629,452.396,4.189,5,0.382,0.67,1.0,0.9232831882667397,0.9187084504146391,0.812667055033925,0.8001165101775067,0.8636938009732027
EOS-2-05500,FC(F)(F)Oc1ccccc1COc1cncc2nnc(-c3ccc(-c4cn[nH]c4)cc3)n12,CLUDUJKPLNSWSW-UHFFFAOYSA-N,2,1,0.547,1,431,452.396,4.659,5,0.403,0.68,1.0,0.9485042149270098,0.822570420121993,0.9805102460420807,0.9518281817558769,0.9258532657117401
EOS-2-05501,Fc1cccc(-n2nccc2COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,KIOXWWGUVFHOPO-UHFFFAOYSA-N,2,1,0.633,1,996,452.396,4.297,5,0.367,0.74,1.0,0.5647745185388253,0.7823058734836543,0.920156260708656,0.8994842711260366,0.791680230964293
EOS-2-05502,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)no1,WZAMGBIYQFOJEN-UHFFFAOYSA-N,2,1,0.592,1,138,452.396,4.748,5,0.38,0.79,1.0,0.9123517922006716,0.7247447056404633,0.9564286203824275,0.8912600233020355,0.8711962853813995
EOS-2-05503,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4-n4cccn4)n23)cc1,DUMWQTGNAPVMOY-UHFFFAOYSA-N,2,1,0.612,1,431,452.396,4.455,5,0.379,0.77,1.0,0.7053491878555274,0.6191145226509492,0.9654752929888287,0.9220067164690563,0.8029864299910904
EOS-2-05504,Cn1nc(-c2cccc(F)c2)cc1Oc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,YAGXYDCDFIBPNM-UHFFFAOYSA-N,2,1,0.658,1,640,452.396,4.725,5,0.371,0.81,1.0,0.6782948392844904,0.8741604413679666,0.9232060859433897,0.8955349187855527,0.8427990713453498
EOS-2-05505,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6conn6)nc5)n34)nn2)nn1,OCGFCQRDYYVADG-UHFFFAOYSA-N,2,1,0.412,71,502,452.398,1.457,6,0.356,0.58,0.811,0.3352409019258447,0.23404838599136454,0.04053868823247207,0.03934788568295525,0.16229396545815913
EOS-2-05506,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)c1,PUJQCGDLZSXEFW-UHFFFAOYSA-N,2,1,0.5,87,468,452.4,3.601,5,0.372,0.72,1.0,0.5150949215269687,0.6622147214036049,0.7338941813446646,0.6611181550270715,0.6430804948255775
EOS-2-05507,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)c1,CNHHDCHTPSIOLZ-UHFFFAOYSA-N,2,1,0.484,27,911,452.4,3.58,5,0.402,0.68,1.0,0.5562846960455075,0.5378658076896717,0.7916780892330889,0.5903724898910288,0.6190502707148242
EOS-2-05508,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cc1,DGWGYQDSGJCIQJ-UHFFFAOYSA-N,2,1,0.573,27,734,452.4,3.58,5,0.402,0.71,1.0,0.5814029196079775,0.6142913439791653,0.902748269481187,0.7957987800699061,0.723560328284559
EOS-2-05509,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nncn5C(F)F)cc4)n23)cn1,RCVDKNASNXFFFN-UHFFFAOYSA-N,2,1,0.566,15,187,452.4,3.601,5,0.348,0.66,1.0,0.8634689191967652,0.7779453087519704,0.7764546638338702,0.7153639229662121,0.7833082036872046
EOS-2-05510,Cn1nncc1-c1cc(F)c(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1F,QEIRNTZLRWKDJG-UHFFFAOYSA-N,2,1,0.534,37,79,452.4,3.021,5,0.366,0.6,1.0,0.629848879446234,0.5999503118360633,0.7179768350352957,0.7014683709135768,0.6623110993077925
EOS-2-05511,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)nn1,XOFAKXBQCUJFQM-UHFFFAOYSA-N,2,1,0.534,27,51,452.4,3.58,5,0.402,0.75,1.0,0.4538242752381605,0.5612963470632581,0.9212870947844561,0.8271451579740936,0.6908882187649921
EOS-2-05512,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)nc1,STUHPLAPSJTWSH-UHFFFAOYSA-N,2,1,0.521,87,468,452.4,3.601,5,0.372,0.72,1.0,0.5489342745528065,0.6719124802960729,0.7311270646288808,0.6498183811938867,0.6504480501679117
EOS-2-05513,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)nc1F,NUDMXNCDYIKWSW-UHFFFAOYSA-N,2,1,0.414,31,814,452.4,3.021,5,0.366,0.68,0.998,0.659687478582688,0.5423377424439723,0.6393238982934686,0.602280515386197,0.6109074086765814
EOS-2-05514,Cn1cncc1-c1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1F,MBNRFDVXJVBLQG-UHFFFAOYSA-N,2,1,0.39,31,814,452.4,3.021,5,0.366,0.62,0.985,0.6689568912343226,0.49713864711123296,0.5312007401823041,0.5190785415667192,0.5540937050236447
EOS-2-05515,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1F,NXODXUHETQCVKX-UHFFFAOYSA-N,2,1,0.545,37,265,452.4,3.021,5,0.391,0.57,1.0,0.6992324035364266,0.6572630388595709,0.7386573915427318,0.7283685148379138,0.7058803371941608
EOS-2-05516,Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cncn5C(F)F)c4)n23)nn1,HMJFJMHRVYYKFD-UHFFFAOYSA-N,2,1,0.462,4,911,452.4,3.866,5,0.386,0.65,0.999,0.5786615036666438,0.5999588787608799,0.819734768007676,0.7419899252964156,0.6850862689329039
EOS-2-05517,FC(F)(F)c1ccnc(CCOc2cncc3nnc(-c4cc(-c5cn[nH]c5)ccn4)n23)c1,OGDBTEYAOITAMR-UHFFFAOYSA-N,2,1,0.434,18,367,452.4,3.612,5,0.419,0.7,1.0,0.5814114865327942,0.519498320882736,0.917449112466589,0.8333476115413612,0.7129266328558701
EOS-2-05518,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nn2)n1,AGGQZJOETISZPX-UHFFFAOYSA-N,2,1,0.506,36,51,452.4,3.58,5,0.402,0.7,1.0,0.6047649235830307,0.614299910903982,0.8898636145569186,0.7771914193681037,0.7215299671030088
EOS-2-05519,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nn1,PIMOXJVXWHFKAR-UHFFFAOYSA-N,2,1,0.484,27,51,452.4,3.673,5,0.401,0.71,1.0,0.5151034884517853,0.5195068878075526,0.8790521554382839,0.7522445343019669,0.6664767664998972
EOS-2-05520,Fc1cc(-c2nnc3cncc(OCCc4cnn(C(F)F)c4)n23)ccc1-c1cncnc1,XGXKEZDTRVFEAY-UHFFFAOYSA-N,2,1,0.565,37,215,452.4,3.601,5,0.372,0.61,1.0,0.6326673977109177,0.7016054417106435,0.8271965595229936,0.7652062915495854,0.7316689226235351
EOS-2-05521,FC(F)(F)c1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,WKUKKYUICKCOEH-UHFFFAOYSA-N,2,1,0.585,47,320,452.4,3.612,5,0.419,0.72,1.0,0.929802618052224,0.840492426838462,0.8854002467274347,0.7393855801521486,0.8487702179425672
EOS-2-05522,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)c1,BGZGRVXTBGOVQS-UHFFFAOYSA-N,2,1,0.565,27,51,452.4,3.58,5,0.402,0.75,1.0,0.7357789048043314,0.6719210472208896,0.8738777328490165,0.7283770817627304,0.7524886916592419
EOS-2-05523,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)cc1,QFVFGRXGBKFZAJ-UHFFFAOYSA-N,2,1,0.6,91,447,452.4,3.021,5,0.366,0.7,1.0,0.8430025358097457,0.8405009937632787,0.6975361524227264,0.6932698238640258,0.7685773764649442
EOS-2-05524,Cc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1cnn(C(F)F)c1,BDAKGGUIMHDYDU-UHFFFAOYSA-N,2,1,0.441,27,128,452.4,3.866,5,0.386,0.6,0.982,0.4466965937906929,0.469852991570146,0.7413302720855321,0.6381245288191351,0.5740010965663765
EOS-2-05525,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c2)cn1,YWUWVGKLSBXAMQ-UHFFFAOYSA-N,2,1,0.529,27,69,452.4,3.58,5,0.402,0.76,1.0,0.5758344184771435,0.580511959427044,0.9266585566445069,0.7935628126927559,0.7191419368103625
EOS-2-05526,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,NYQFNEJEOVORBD-UHFFFAOYSA-N,2,1,0.714,88,781,452.4,3.021,5,0.391,0.78,1.0,0.9246281954629566,0.9206188746487561,0.6785518470289905,0.7127167431978617,0.8091289150846412
EOS-2-05527,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)cn2)n(C)n1,BICPGIVUFSZDFO-UHFFFAOYSA-N,2,1,0.404,50,121,452.4,3.698,5,0.401,0.65,0.999,0.37215578096086627,0.5752433006647933,0.6568089918442875,0.6381330957439517,0.5605852923034748
EOS-2-05528,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)nc2)n1,KIJDZDURRDQYKC-UHFFFAOYSA-N,2,1,0.461,51,946,452.4,3.638,5,0.388,0.69,1.0,0.5786700705914605,0.7202470701117127,0.7936142142416558,0.7127253101226784,0.7013141662668769
EOS-2-05529,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nn2)cn1,ONFNPBWVJAEEHP-UHFFFAOYSA-N,2,1,0.489,27,51,452.4,3.673,5,0.401,0.72,1.0,0.47539579192653003,0.5060311150709341,0.9004694674799534,0.7818518264683709,0.6659370502364471
EOS-2-05530,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccn(C(F)F)n5)cc4F)n23)nn1,QTNKMGSGWWIGSG-UHFFFAOYSA-N,2,1,0.462,36,208,452.4,3.866,5,0.386,0.65,1.0,0.5539716263450072,0.6669693646768556,0.7311356315536974,0.6381416626687684,0.6475545713110822
EOS-2-05531,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)cn1,ASQDAQIKRLTGPT-UHFFFAOYSA-N,2,1,0.505,65,468,452.4,3.601,5,0.348,0.71,1.0,0.5308152285655541,0.6719296141457063,0.7811322047837708,0.6875042834624083,0.6678453327393599
EOS-2-05532,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(C(F)F)c(F)c3)n12,OQXTWFQBQQEYQQ-UHFFFAOYSA-N,2,1,0.462,36,51,452.4,3.638,5,0.388,0.51,1.0,0.5933366458775958,0.6329158385306011,0.7764632307586868,0.7099324926324446,0.6781620519498321
EOS-2-05533,Cn1nccc1-c1nc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1F,GHCUPNBNBLZYRF-UHFFFAOYSA-N,2,1,0.489,27,69,452.4,3.638,5,0.388,0.71,0.938,0.517716400520869,0.6280583921595504,0.7101809334521281,0.6086457405249811,0.6161503666643822
EOS-2-05534,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)cc1-c1cncc(F)c1,XWYNPDYNEHXRDO-UHFFFAOYSA-N,2,1,0.41,95,235,452.4,3.021,5,0.366,0.65,0.744,0.5052343910629841,0.36944863271879924,0.5613306147625249,0.5652799671030087,0.5003234014118292
EOS-2-05535,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)nc1F,RMPOHBKPXBRQAU-UHFFFAOYSA-N,2,1,0.468,19,442,452.4,3.021,5,0.366,0.62,0.998,0.564783085463642,0.5331711328901377,0.6184291686656158,0.6352289082311013,0.5879030738126242
EOS-2-05536,Cc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)n1,PHLIDUKKLNXYRC-UHFFFAOYSA-N,2,1,0.432,27,468,452.4,3.866,5,0.386,0.68,1.0,0.4538328421629772,0.5613049139880748,0.7462562538551162,0.6322647522445343,0.5984146905626756
EOS-2-05537,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2F)n(C)n1,YGIJPINOYHUOAK-UHFFFAOYSA-N,2,1,0.517,73,610,452.4,3.287,5,0.404,0.56,1.0,0.5677558083750257,0.6526368994585704,0.5842214378726612,0.5620331025974916,0.5916618120759372
EOS-2-05538,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)nc1,AGDCYVKBVBANNH-UHFFFAOYSA-N,2,1,0.449,84,442,452.4,3.021,5,0.366,0.62,1.0,0.5539801932698238,0.5149492838050853,0.694786169556576,0.6816959084367076,0.6113528887670482
EOS-2-05539,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)nc2)n1,NADOAEFFZRUMON-UHFFFAOYSA-N,2,1,0.489,27,69,452.4,3.638,5,0.363,0.59,1.0,0.49013946953601534,0.5999674456856967,0.7462648207799328,0.6148910287163319,0.6128156911794942
EOS-2-05540,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)c(F)n5)n34)cn2)c1,OONWOFSSCMRVRA-UHFFFAOYSA-N,2,1,0.489,58,823,452.4,3.021,5,0.366,0.61,0.999,0.8406551984099787,0.7947107806181893,0.6269532588582003,0.5620416695223083,0.7060902268521692
EOS-2-05541,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(C(F)F)n5)n34)cc2)cn1,RFWXUBQPARZYGW-UHFFFAOYSA-N,2,1,0.46,27,519,452.4,3.638,5,0.388,0.62,1.0,0.610299157014598,0.647513878418203,0.7153981906654787,0.59936776094853,0.6431447467617024
EOS-2-05542,Fc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ncnn1C(F)F,CEQBLVZKVIGLDB-UHFFFAOYSA-N,2,1,0.593,37,393,452.4,3.601,5,0.372,0.6,1.0,0.7020509218011103,0.7064029196079775,0.7051949832088273,0.6438558015214858,0.6893761565348503
EOS-2-05543,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)cc1,QUKJROYKOCCVTI-UHFFFAOYSA-N,2,1,0.635,43,402,452.4,3.58,5,0.402,0.76,1.0,0.7712374066205195,0.6767013912685902,0.9126602014940717,0.8392844904393119,0.7999708724556233
EOS-2-05544,Cc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cncn1C(F)F,RIDREIKVYAKULO-UHFFFAOYSA-N,2,1,0.396,46,122,452.4,3.866,5,0.361,0.59,0.997,0.5647916523884586,0.5241672949078199,0.7413388390103488,0.6498269481187033,0.6200311836063327
EOS-2-05545,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)nc2F)n1,IZSFRUIBJSTJCG-UHFFFAOYSA-N,2,1,0.495,37,442,452.4,3.021,5,0.366,0.68,0.764,0.6386985127818519,0.5805205263518607,0.5716366253169762,0.5686553354807758,0.5898777499828661
EOS-2-05546,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,LWMQNCFXQSMWSI-UHFFFAOYSA-N,2,1,0.477,27,51,452.4,3.58,5,0.402,0.73,0.999,0.6474967445685696,0.6964310191213762,0.7101895003769447,0.6207079706668495,0.6687063086834351
EOS-2-05547,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cn4)n23)n1,HKXHLPMATVUNAJ-UHFFFAOYSA-N,2,1,0.424,87,954,452.4,3.601,5,0.348,0.69,1.0,0.46544102528956205,0.49195565759714893,0.705203550133644,0.6262764717976835,0.5722191762045096
EOS-2-05548,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,QBXWDVKEIYHYFW-UHFFFAOYSA-N,2,1,0.623,43,402,452.4,3.58,5,0.402,0.78,1.0,0.7855955726132547,0.6669779316016723,0.904890000685354,0.8333561784661778,0.7977049208416147
EOS-2-05549,O=c1[nH]nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nn2)o1,LHFBYBSEYMVSQZ-UHFFFAOYSA-N,2,1,0.37,93,74,452.409,3.398,6,0.431,0.64,0.734,0.35610993077924746,0.47875402645466386,0.4552635186073607,0.5428089233088891,0.4582340997875403
EOS-2-05550,Fc1cc(-c2ncccn2)cnc1Oc1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,PUDSMDPIWBKPDU-UHFFFAOYSA-N,2,1,0.419,41,78,452.409,4.23,6,0.379,0.72,1.0,0.8612243848947981,0.7388287300390651,0.5280481118497704,0.46835377972722914,0.6491137516277157
EOS-2-05551,Fc1ccc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)on2)cn1,CLNIFEPJDKPDRU-UHFFFAOYSA-N,2,1,0.427,41,50,452.409,4.23,6,0.354,0.68,1.0,0.6272016996778836,0.609425330683298,0.6243917483380166,0.5620502364471249,0.6057672537865808
EOS-2-05552,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cn5)n34)cc2)nc1,DSOYRMFRCGVOAA-UHFFFAOYSA-N,2,1,0.4,41,622,452.409,4.23,6,0.379,0.64,1.0,0.7328832842162977,0.6377047495031184,0.5905266945377288,0.5457902131450895,0.6267262353505586
EOS-2-05553,Fc1cc(-c2nnco2)cnc1Oc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,DKOCOSNKVQVMKP-UHFFFAOYSA-N,2,1,0.402,41,120,452.409,4.23,6,0.379,0.73,1.0,0.7113117675279281,0.6191230895757659,0.5211089027482695,0.4803303406209307,0.5829685251182235
EOS-2-05554,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)c(F)c2)o1,CCLMNPPQDIYPOD-UHFFFAOYSA-N,2,1,0.329,94,167,452.413,3.203,6,0.392,0.66,1.0,0.2778425056541704,0.39777088616270306,0.307663970940991,0.3035175793297238,0.32169873552189704
EOS-2-05555,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)c(F)c2)no1,AGOXFPADHLPFFX-UHFFFAOYSA-N,2,1,0.338,94,761,452.413,3.203,6,0.392,0.67,1.0,0.29173805770680555,0.4301281611952574,0.26747652662600235,0.26768213282160236,0.3142562195874169
EOS-2-05556,Cc1noc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cn5)n34)n2)n1,ASSMYARXGBFEBL-UHFFFAOYSA-N,2,1,0.261,86,72,452.413,3.203,6,0.367,0.64,0.976,0.28075526009183743,0.29614145706257283,0.15411041052703722,0.18336645877595778,0.22859339661435132
EOS-2-05557,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)nn6)nn5)n34)cc2)o1,GZLBUJHFEHGDCD-UHFFFAOYSA-N,2,1,0.337,98,63,452.413,3.203,6,0.392,0.68,0.969,0.3327993283530944,0.38834726886436843,0.19984065519841,0.21479850592831198,0.2839464395860462
EOS-2-05558,Cn1nc(-c2nnc3cncc(OCc4ccnc(C#N)c4)n23)cc1-c1cnc(C#N)c(F)c1,BWKQQXLOWSELNP-UHFFFAOYSA-N,2,1,0.396,95,694,452.413,2.443,5,0.393,0.67,1.0,0.45157117401137686,0.38368686176410116,0.5716451922417929,0.49567370296758273,0.47564423274621337
EOS-2-05559,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)n1,OUTNWFGSPXJZJD-UHFFFAOYSA-N,2,1,0.306,86,812,452.417,2.035,6,0.39,0.56,1.0,0.20777362757864437,0.2497087245562333,0.11596189431841546,0.1435216914536358,0.17924148447673222
EOS-2-05560,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(F)n6)nc5)n34)cn2)n1,LSFPPQQVKZZZHH-UHFFFAOYSA-N,2,1,0.307,70,968,452.417,2.035,6,0.365,0.59,0.999,0.1303286272359674,0.19502604345144267,0.09981324103899664,0.10962236995408128,0.133697570420122
EOS-2-05561,Cn1cc(-c2cncc(-c3cncc4nnc(-c5cnc(-c6cnc(F)cn6)nc5)n34)c2)nn1,YDXYVUKGXGAXHS-UHFFFAOYSA-N,2,1,0.289,86,780,452.417,2.035,6,0.39,0.63,0.998,0.06755020217942567,0.1421338496333356,0.1420824480844356,0.1589849907477212,0.12768787266122952
EOS-2-05562,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5F)n34)cn2)n1,HTVTYNQUDICNNN-UHFFFAOYSA-N,2,1,0.286,98,615,452.417,2.035,6,0.39,0.62,1.0,0.19374957165375917,0.2293794119662806,0.16678945925570557,0.21480707285312864,0.2011813789322185
EOS-2-05563,Cc1ncnc(-c2ccccn2)c1-c1nnc2cncc(-c3cn(-c4nccnc4F)nn3)n12,QLBWMOOTMWOSIC-UHFFFAOYSA-N,2,1,0.283,86,312,452.417,2.129,6,0.391,0.53,1.0,0.0015763141662668769,0.09852820231649648,0.03375368377767117,0.052283942156123635,0.04653553560413954
EOS-2-05564,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nn5)n34)c(F)c2)n1,QXMVBPWIHJZECG-UHFFFAOYSA-N,2,1,0.317,98,507,452.417,2.035,6,0.39,0.59,1.0,0.1739428414776232,0.270115139469536,0.16051847028990474,0.19970358440134328,0.2010700089096018
EOS-2-05565,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ncccc5F)cc4)n23)ccc1-c1cnco1,GEUWVDYMUNRZJM-UHFFFAOYSA-N,2,1,0.368,69,30,452.424,5.454,6,0.354,0.7,1.0,0.40333938729353713,0.4741621547529299,0.9135511616750052,0.917629017887739,0.6771704304023028
EOS-2-05566,Fc1cc(-c2cc(F)ccn2)cc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1,DAPCJXDOKRQWNL-UHFFFAOYSA-N,2,1,0.333,69,30,452.424,5.454,6,0.354,0.76,1.0,0.35375402645466386,0.4168408608046056,0.9201648276334727,0.9271297375094236,0.6544723631005415
EOS-2-05567,Fc1cc(-c2nnc3cncc(-c4cccc(-c5cccnc5F)c4)n23)ccc1-c1cnco1,OAZXBOTWQPALBI-UHFFFAOYSA-N,2,1,0.37,69,30,452.424,5.454,6,0.331,0.72,1.0,0.4190168597080392,0.4611404290315948,0.9273953121787403,0.9279692961414571,0.6838804742649579
EOS-2-05568,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5noc(-c6ccc(F)cc6)n5)n34)cc2)cc1,LDJHYTQNPRHDLL-UHFFFAOYSA-N,2,1,0.433,83,950,452.424,5.454,6,0.354,0.84,1.0,0.29974813241038994,0.5241758618326365,0.8506613665958468,0.8982163662531698,0.6432004317730108
EOS-2-05569,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cc5)n34)cc2F)ccn1,CLRZGEAYRYXCRW-UHFFFAOYSA-N,2,1,0.35,69,484,452.424,5.454,6,0.331,0.66,1.0,0.337631073949695,0.46986155849496264,0.9316359399629909,0.9320300185045576,0.6677896477280515
EOS-2-05570,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)c1F,UXPGCBQPWSTDJV-UHFFFAOYSA-N,2,1,0.289,64,885,452.424,5.454,6,0.354,0.7,1.0,0.33524946885066137,0.3061476252484408,0.8612586525940649,0.8955434857103695,0.5995498081008841
EOS-2-05571,Fc1cc(-c2cccnc2F)ccc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,WHAJREYTVYPBAU-UHFFFAOYSA-N,2,1,0.359,69,30,452.424,5.454,6,0.331,0.75,1.0,0.4260417380577068,0.5060396819957508,0.932355561647591,0.9279778630662737,0.6981037111918306
EOS-2-05572,Fc1cccc(-c2nnc3cncc(-c4ccccc4-c4cccc(-c5cnco5)n4)n23)c1F,UTQNLANKXCBTLD-UHFFFAOYSA-N,2,1,0.355,30,93,452.424,5.454,6,0.354,0.67,1.0,0.3492649578507299,0.4611489959564115,0.8738862997738331,0.8860256322390515,0.6425814714550065
EOS-2-05573,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)cc1F,OBPKUHIBYLWLGC-UHFFFAOYSA-N,2,1,0.38,93,107,452.424,5.454,6,0.354,0.83,1.0,0.39500376944691934,0.570274484271126,0.855116167500514,0.8927078335960523,0.6782755637036529
EOS-2-05574,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)o5)n34)nc2)cc1,UVQSFVIWSLKTBA-UHFFFAOYSA-N,2,1,0.329,32,20,452.424,5.454,6,0.331,0.72,1.0,0.2594236172983346,0.3977794530875197,0.8982420670276198,0.9075800150777876,0.6157562881228155
EOS-2-05575,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)c(F)c5)n34)cn2)cc1,VYDYOTFWHPPTLU-UHFFFAOYSA-N,2,1,0.36,69,484,452.424,5.454,6,0.354,0.82,1.0,0.37461448838324996,0.5015334795421835,0.9232146528682065,0.9312846960455075,0.6826618292097868
EOS-2-05576,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)c(F)c2)c1,OLJXBZOQJGKWQB-UHFFFAOYSA-N,2,1,0.392,69,538,452.424,5.454,6,0.354,0.72,1.0,0.3537625933794805,0.5471609211157563,0.9174576793914057,0.9312932629703242,0.6874186142142417
EOS-2-05577,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6F)o5)n34)cc2)cc1,KCZCHIABXWFHFP-UHFFFAOYSA-N,2,1,0.408,93,950,452.424,5.454,6,0.354,0.85,1.0,0.3653450757316154,0.6143084778287986,0.8440219998629293,0.8940871084915358,0.6794406654787197
EOS-2-05578,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)cc1F,AUJZMQIBHUDMCH-UHFFFAOYSA-N,2,1,0.325,32,479,452.424,5.454,6,0.354,0.7,1.0,0.35854293742718113,0.37423754369131657,0.9016517031046536,0.9018573093002535,0.6340723733808512
EOS-2-05579,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)c(F)c1,HCPUQAQIOZWRHK-UHFFFAOYSA-N,2,1,0.384,93,107,452.424,5.454,6,0.354,0.84,1.0,0.3629806044822151,0.5999760126105134,0.8326451237063943,0.8830871770269344,0.6696722294565143
EOS-2-05580,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4F)n23)cc1,HBYOAPXHXGKNMU-UHFFFAOYSA-N,2,1,0.346,69,30,452.424,5.454,6,0.354,0.75,0.991,0.372164347885683,0.5102460420807347,0.8982506339524364,0.9131999177575217,0.673465235419094
EOS-2-05581,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2F)c1,SBMMWCUFIAVBAA-UHFFFAOYSA-N,2,1,0.419,69,538,452.424,5.454,6,0.354,0.72,1.0,0.36298917140703174,0.5286906312110204,0.9222637242135563,0.9328438763621411,0.6866968507984373
EOS-2-05582,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)c6)o5)n34)cc2)cc1,HOIBGLAIFCZQSN-UHFFFAOYSA-N,2,1,0.405,93,950,452.424,5.454,6,0.354,0.81,1.0,0.3423942841477623,0.59998457953533,0.8537197587553972,0.8994928380508532,0.6738978651223356
EOS-2-05583,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(F)cc1-c1nnco1,QOXXJLSDIRRPPX-UHFFFAOYSA-N,2,1,0.391,93,107,452.424,5.454,6,0.354,0.77,1.0,0.39700842985401963,0.5241844287574532,0.9080169282434377,0.9208758823932561,0.6875214173120416
EOS-2-05584,Fc1ccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)ccn2)cc1F,AHTDFTDGZCKTRO-UHFFFAOYSA-N,2,1,0.347,69,30,452.424,5.454,6,0.354,0.73,1.0,0.4420704543896923,0.5015420464670002,0.9331265848810911,0.9336577342197245,0.702599204989377
EOS-2-05585,Fc1cc(F)cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)c1,QDONYCFNDBLHFW-UHFFFAOYSA-N,2,1,0.389,93,107,452.424,5.454,6,0.354,0.78,1.0,0.36996264820779934,0.514957850729902,0.832653690631211,0.8815965321088343,0.6497926804194366
EOS-2-05586,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)c(F)c5)n34)cc2)nc1,IXKCQCRWAIDPTR-UHFFFAOYSA-N,2,1,0.342,69,484,452.424,5.454,6,0.354,0.77,1.0,0.4397231169899253,0.5015506133918168,0.9240713453498732,0.9249451716811733,0.6975725618531972
EOS-2-05587,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cccc(F)c6)cn5)n34)o2)cc1,BYIXXIJAHIFTQD-UHFFFAOYSA-N,2,1,0.338,32,192,452.424,5.454,6,0.354,0.81,1.0,0.24892913439791653,0.3010417380577068,0.8551247344253307,0.8940956754163526,0.5747978205743267
EOS-2-05588,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)cc1F,RBAJTBXKSMSHON-UHFFFAOYSA-N,2,1,0.32,69,30,452.424,5.454,6,0.354,0.73,1.0,0.36535364265643205,0.4875094236172983,0.930033925022274,0.9313018298951409,0.6785497052977864
EOS-2-05589,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2F)cc1,GOHYXKJBDCZNER-UHFFFAOYSA-N,2,1,0.389,69,538,452.424,5.454,6,0.354,0.71,1.0,0.3861284353368515,0.5805290932766775,0.9266671235693236,0.9363477486121582,0.7074181001987526
EOS-2-05590,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cc2)nc1,ZDJXGQZETPUPNL-UHFFFAOYSA-N,2,1,0.341,3,150,452.428,4.379,6,0.395,0.74,1.0,0.04413679665547255,0.22423069015146324,0.764880748406552,0.7889109725173052,0.4555398019326983
EOS-2-05591,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)cn1,IVRLGGPOJAPRRE-UHFFFAOYSA-N,2,1,0.35,3,192,452.428,4.584,6,0.42,0.63,1.0,0.2861524227263382,0.4212099924611062,0.8272051264478103,0.8537711603042971,0.597084675484888
EOS-2-05592,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nn2)nc1,DYAGUDBJJIZUIZ-UHFFFAOYSA-N,2,1,0.378,3,550,452.428,4.379,6,0.395,0.66,1.0,0.02345624014803646,0.24481701048591598,0.7512079363991502,0.8252004660407101,0.4611704132684532
EOS-2-05593,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cc1F,DHAGQSDRPCZSPR-UHFFFAOYSA-N,2,1,0.333,3,150,452.428,4.379,6,0.395,0.74,1.0,0.05324343773559043,0.24971729148104996,0.8235641834007265,0.8252090329655267,0.4879334863957234
EOS-2-05594,Fc1ccc(F)c(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nn2)c1,OHEXUTHPOUKGJN-UHFFFAOYSA-N,2,1,0.324,30,783,452.428,4.379,6,0.395,0.58,1.0,0.012507710232335,0.1736001644849565,0.6675604824892056,0.7676050304982523,0.4053183469261874
EOS-2-05595,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)c(F)c1,VERNHESZLWBPSY-UHFFFAOYSA-N,2,1,0.314,30,298,452.428,4.379,6,0.395,0.75,0.999,0.034010691522171205,0.20418408608046057,0.7259269412651634,0.8023353437050237,0.4416142656432047
EOS-2-05596,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)c1F,PJFQMLWUBZYFQW-UHFFFAOYSA-N,2,1,0.321,3,150,452.428,4.379,6,0.395,0.67,1.0,0.06215303954492495,0.25970632581728464,0.7983431567404564,0.8044599410595573,0.48116561579055583
EOS-2-05597,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5F)n34)cn2)c1,HELWTIJKLYWNLM-UHFFFAOYSA-N,2,1,0.329,10,673,452.428,4.379,6,0.395,0.77,1.0,0.025580837502570078,0.2597148927421013,0.8292354876293606,0.8522119799876636,0.4916857994654239
EOS-2-05598,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(F)c1,QASIVGZMPFYPCO-UHFFFAOYSA-N,2,1,0.303,3,298,452.428,4.379,6,0.395,0.68,0.997,0.01833321910766911,0.17786649304365704,0.6813189637447742,0.767613597423069,0.41128306832979233
EOS-2-05599,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)nc1F,PACHVEXJOMJDSM-UHFFFAOYSA-N,2,1,0.346,9,834,452.428,4.584,6,0.393,0.75,1.0,0.3561184977040642,0.3977880200123364,0.8309574395175108,0.8271537248989103,0.6030044205332055
EOS-2-05600,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cc2)nc1,WCIQVLLFRAVGJU-UHFFFAOYSA-N,2,1,0.322,3,289,452.428,4.379,6,0.395,0.74,1.0,0.03820848468233843,0.24972585840586664,0.7077393598793777,0.7771999862929203,0.44321842231512576
EOS-2-05601,Fc1ccc(-n2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)n2)cc1F,QVNWYLZDCSIDCA-UHFFFAOYSA-N,2,1,0.284,10,673,452.428,4.379,6,0.395,0.65,0.856,0.030198409978754028,0.17360873140977315,0.7936227811664724,0.8213282160235762,0.45468953464464396
EOS-2-05602,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cc(F)cnc5-c5ccccc5)n34)n2)cc1,OAXRIXZCYPVNBI-UHFFFAOYSA-N,2,1,0.32,3,118,452.428,4.379,6,0.395,0.69,0.959,0.03667500514015489,0.21895346446439587,0.597020423548763,0.7099410595572613,0.3906474881776437
EOS-2-05603,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1,AOVPLQIFOMFWHZ-UHFFFAOYSA-N,2,1,0.333,3,118,452.428,4.379,6,0.395,0.58,0.999,0.03668357206497156,0.26486361455691865,0.6568175587691042,0.757401823041601,0.4289416421081489
EOS-2-05604,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)c1,WYYSPXPZHUNDEF-UHFFFAOYSA-N,2,1,0.345,3,118,452.428,4.379,6,0.395,0.65,0.972,0.023464807072853127,0.19962648207799327,0.6298917140703173,0.7419984922212323,0.398745373860599
EOS-2-05605,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc1F,OJCUIPQRIUDRGI-UHFFFAOYSA-N,2,1,0.287,30,298,452.428,4.379,6,0.395,0.75,0.444,0.026874443149886917,0.19045130559934206,0.7001404975669934,0.7797786306627373,0.4243112192447399
EOS-2-05606,Fc1cccc(F)c1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nn1,AGCANQUCGSHPII-UHFFFAOYSA-N,2,1,0.327,30,298,452.428,4.379,6,0.395,0.77,0.999,0.025589404427386744,0.20419265300527722,0.6813275306695908,0.7724196422452196,0.4208823075868686
EOS-2-05607,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(F)ccn6)c5)n34)cn2)cc1,HQQFCJNRTXBQAE-UHFFFAOYSA-N,2,1,0.329,3,673,452.428,4.379,6,0.395,0.73,1.0,0.011736686998834898,0.2340569529161812,0.7811407717085875,0.8232386402576931,0.4625432629703242
EOS-2-05608,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cn2)nc1,IENDGULMLSVFIJ-UHFFFAOYSA-N,2,1,0.314,10,673,452.428,4.379,6,0.395,0.67,0.988,0.01834178603248578,0.22938797889109724,0.7764717976835035,0.8086748680693578,0.4582191076691111
EOS-2-05609,Fc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)c1,OMXQJLOZWWRCBF-UHFFFAOYSA-N,2,1,0.324,30,298,452.428,4.379,6,0.395,0.76,1.0,0.03287129052155438,0.16517031046535535,0.7362158179699815,0.8065588376396409,0.43520406414913304
EOS-2-05610,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)c1F,VOJABBUDZBWBES-UHFFFAOYSA-N,2,1,0.314,30,298,452.428,4.379,6,0.395,0.78,0.999,0.04119834144335549,0.21896203138921252,0.7339027482694812,0.8023439106298403,0.44910175793297236
EOS-2-05611,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)c(F)c2)c1,RIOXIZCOIWVXQK-UHFFFAOYSA-N,2,1,0.358,3,783,452.428,4.379,6,0.395,0.66,1.0,0.010194640531834692,0.21390754574737852,0.8062675621958741,0.8554160098690974,0.47144643958604615
EOS-2-05612,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)cn2)nc1,ISOGKHBJZDYKNQ-UHFFFAOYSA-N,2,1,0.37,3,150,452.428,4.379,6,0.395,0.78,1.0,0.026883010074703586,0.2242392570762799,0.7259355081899801,0.7864351312452882,0.4408732266465629
EOS-2-05613,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6F)n5)n34)cc2)nc1,BHQBHODLBWSCPK-UHFFFAOYSA-N,2,1,0.306,3,289,452.428,4.379,6,0.395,0.76,1.0,0.04852306216160647,0.2753837982317867,0.6866647248303749,0.7599890343362347,0.44264015489000064
EOS-2-05614,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1F,XQUKOEIYUGVLKE-UHFFFAOYSA-N,2,1,0.302,3,289,452.428,4.379,6,0.395,0.78,0.999,0.0532520046604071,0.25972345966691796,0.7386659584675485,0.7864436981701048,0.45952128024124456
EOS-2-05615,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)nc2)nc1,QBYOOOPKMJICFD-UHFFFAOYSA-N,2,1,0.301,10,673,452.428,4.379,6,0.395,0.72,0.988,0.014032622849701871,0.1612466588993215,0.7740130902611199,0.8109108354465081,0.4400508018641628
EOS-2-05616,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)cc1F,ANJQMYLVOVMKHQ-UHFFFAOYSA-N,2,1,0.317,30,298,452.428,4.379,6,0.395,0.79,1.0,0.03527859639503804,0.2189705983140292,0.7648893153313686,0.8213367829483929,0.4601188232472072
EOS-2-05617,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncc(F)cn6)c5)n34)cc2)cc1,KXLVHKBAHWOKPK-UHFFFAOYSA-N,2,1,0.387,3,150,452.428,4.379,6,0.395,0.8,1.0,0.0352871633198547,0.2856641080117881,0.7362243848947981,0.7935713796175725,0.46268675896100336
EOS-2-05618,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c(F)c1,DVZKVTFEUMEAJU-UHFFFAOYSA-N,2,1,0.351,93,689,452.428,4.379,6,0.395,0.71,1.0,0.08878760879994517,0.35013878418203004,0.632864436981701,0.7724282091700363,0.46105475978342814
EOS-2-05619,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)cn1,HUNKDZNEHDDIRN-UHFFFAOYSA-N,2,1,0.338,9,834,452.428,4.584,6,0.393,0.75,1.0,0.3251833321910767,0.40727160578438765,0.8697656089370159,0.8718559385922829,0.6185191213761908
EOS-2-05620,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)cc6)n5)n34)cc2)cc1,FSBBTHKHVPJSMO-UHFFFAOYSA-N,2,1,0.403,83,689,452.428,4.379,6,0.395,0.74,1.0,0.06386642450825851,0.3742461106161332,0.7026934411623603,0.8153827702008087,0.48904718662189023
EOS-2-05621,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5ccnc(F)c5)c4)n23)c1,BTIUNRNNOILJFU-UHFFFAOYSA-N,2,1,0.352,3,317,452.428,4.379,6,0.369,0.65,1.0,0.009560688095401275,0.1691025289562059,0.7648978822561853,0.8001250771023234,0.4359215441025289
EOS-2-05622,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)c(F)c1,GMNVMNFMKUBCMJ-UHFFFAOYSA-N,2,1,0.333,42,150,452.428,4.379,6,0.395,0.73,1.0,0.017536495099719007,0.2597320265917346,0.867135563018299,0.8787865807689672,0.5057976663696799
EOS-2-05623,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cc1F,OJJSMKZGKMKGLZ-UHFFFAOYSA-N,2,1,0.363,42,150,452.428,4.379,6,0.395,0.76,1.0,0.02689157699952025,0.2597405935165513,0.8876190802549517,0.8912685902268521,0.5163799602494689
EOS-2-05624,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)cc1F,DBEVEKGQULADAC-UHFFFAOYSA-N,2,1,0.321,3,834,452.428,4.584,6,0.42,0.74,1.0,0.32519189911589336,0.4919642245219656,0.8506699335206634,0.8653964772805154,0.6333056336097594
EOS-2-05625,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)c(F)c1,GZGMKYOYPVCPMS-UHFFFAOYSA-N,2,1,0.299,30,298,452.428,4.379,6,0.395,0.72,0.759,0.04264615173737235,0.23967685559591528,0.6624117606743883,0.7522531012267837,0.4242469673086149
EOS-2-05626,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cc2)c1,ZJUMJKKERXYRPO-UHFFFAOYSA-N,2,1,0.325,9,834,452.428,4.584,6,0.42,0.64,1.0,0.335258035775478,0.39290487286683573,0.8640686039339319,0.8774587074223836,0.6174225549996574
EOS-2-05627,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)ncc1-c1nc[nH]n1,OJDKQRGELZRKLZ-UHFFFAOYSA-N,2,1,0.341,93,192,452.428,4.584,6,0.42,0.59,0.998,0.270140840243986,0.42121855938592284,0.7764803646083202,0.8312315811116442,0.5747678363374682
EOS-2-05628,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cn2)cc1,QTBWTBAQLTWSHE-UHFFFAOYSA-N,2,1,0.39,3,673,452.428,4.379,6,0.395,0.71,1.0,0.029153245151120555,0.2701237063943527,0.7811493386334042,0.8252175998903434,0.47641097251730524
EOS-2-05629,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cn2)cc1,SOMNLFOQNBIFCP-UHFFFAOYSA-N,2,1,0.338,3,118,452.428,4.379,6,0.395,0.72,0.981,0.03529573024467137,0.2547289424988006,0.7179854019601124,0.7958073469947228,0.45095435542457674
EOS-2-05630,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)nc2)cc1,QVZUPXSUFZJKPT-UHFFFAOYSA-N,2,1,0.291,3,783,452.428,4.379,6,0.395,0.76,0.992,0.016508464121718868,0.19045987252415872,0.7386745253923651,0.8232472071825098,0.44222251730518813
EOS-2-05631,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)c1F,GSHITBHSNRVPHV-UHFFFAOYSA-N,2,1,0.299,3,783,452.428,4.379,6,0.395,0.73,1.0,0.04265471866218902,0.22424782400109658,0.7624991433075183,0.8109194023713248,0.46008027208553215
EOS-2-05632,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)c1F,FDXBWRSOGBQQCZ-UHFFFAOYSA-N,2,1,0.284,30,298,452.428,4.379,6,0.395,0.8,0.992,0.022351106846686314,0.15742581043108766,0.7285484202590639,0.8065674045644575,0.42872318552532385
EOS-2-05633,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3cn(-c4ccccc4F)nn3)n12,VZEKRSGFSKCLLI-UHFFFAOYSA-N,2,1,0.326,3,783,452.428,4.379,6,0.395,0.7,1.0,0.02134020971831951,0.21391611267219518,0.7311441984785142,0.80013364402714,0.44163354122404225
EOS-2-05634,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cc1F,OMQAGKIHCFWTJJ-UHFFFAOYSA-N,2,1,0.302,30,298,452.428,4.379,6,0.395,0.8,0.798,0.04853162908642314,0.2547375094236173,0.7052121170584607,0.7748012473442533,0.4458206257281886
EOS-2-05635,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)nc2)c1,OFSONWCHHFECPM-UHFFFAOYSA-N,2,1,0.303,30,298,452.428,4.379,6,0.395,0.77,0.999,0.0070762798985676105,0.16125522582413818,0.7285569871838805,0.8193663902405592,0.4290637207867864
EOS-2-05636,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)cc1F,BGTNDYMJEDNELP-UHFFFAOYSA-N,2,1,0.314,32,673,452.428,4.379,6,0.395,0.66,0.86,0.024492838050853265,0.23968542252073197,0.8005876910424234,0.8153913371256254,0.4700393221849085
EOS-2-05637,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)n6)n5)n34)cc2)c1,PYSZEWYIUCHEQN-UHFFFAOYSA-N,2,1,0.373,93,550,452.428,4.379,6,0.369,0.76,1.0,0.06216160646974162,0.27013227331916934,0.6759989034336235,0.7625762456308683,0.44271725721335065
EOS-2-05638,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6)nn5)n34)nc2)c1,YOKZMJGEBAPYBD-UHFFFAOYSA-N,2,1,0.307,10,783,452.428,4.379,6,0.395,0.73,0.995,0.007667397710917689,0.13852717428551847,0.7487920636008498,0.8312401480364608,0.4315566959084367
EOS-2-05639,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nn2)c(F)c1,QVPKEDCUKJSUNL-UHFFFAOYSA-N,2,1,0.329,3,783,452.428,4.379,6,0.395,0.72,1.0,0.0397590980741553,0.22939654581591393,0.8106366938523748,0.855424576793914,0.48380422863408956
EOS-2-05640,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c(F)c1,NRWMVTSNMBXYIM-UHFFFAOYSA-N,2,1,0.354,9,834,452.428,4.584,6,0.42,0.67,1.0,0.3073983962716743,0.4434325954355425,0.8471060927969296,0.8571122609827976,0.6137623363717359
EOS-2-05641,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(F)c6)n5)n34)cc2)cc1,HYUOJPZSNXVFIR-UHFFFAOYSA-N,2,1,0.382,83,689,452.428,4.379,6,0.395,0.76,1.0,0.06217017339455829,0.3883558357891851,0.6866732917551915,0.8065759714892742,0.4859438181070523
EOS-2-05642,Fc1cccc(F)c1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)nn1,SUUPVQROLJOQDN-UHFFFAOYSA-N,2,1,0.321,3,783,452.428,4.379,6,0.395,0.7,1.0,0.023473373997669796,0.21897916523884586,0.760083270509218,0.8232557741073264,0.45644789596326496
EOS-2-05643,Fc1cc(F)cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,RZSORQDWCNDPTD-UHFFFAOYSA-N,2,1,0.365,93,689,452.428,4.379,6,0.395,0.76,1.0,0.08186553354807759,0.3010503049825235,0.6481735316290864,0.779787197587554,0.4527191419368104
EOS-2-05644,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)nc1F,SYAIBHJYODBSSH-UHFFFAOYSA-N,2,1,0.346,9,834,452.428,4.584,6,0.393,0.75,1.0,0.35612706462888083,0.39779658693715303,0.8309660064423274,0.8271622918237269,0.6030129874580221
EOS-2-05645,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)o5)n34)cn2)no1,VHNGUTJMXBGDRD-UHFFFAOYSA-N,2,1,0.404,28,414,452.434,3.779,6,0.368,0.57,1.0,0.27785107257898706,0.14585189500376944,0.12433177986429991,0.12573675553423344,0.16844287574532246
EOS-2-05646,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(CO)o6)cn5)n34)cc2)o1,SQMLGXSWKSXTLE-UHFFFAOYSA-N,2,1,0.293,38,303,452.434,3.359,6,0.414,0.66,1.0,0.19667089301624288,0.23406551984099788,0.2241364539784799,0.18590226852169145,0.21019378383935303
EOS-2-05647,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2)o1,GRDOCBHUNXFKNL-UHFFFAOYSA-N,2,1,0.538,77,245,452.434,3.779,6,0.368,0.66,1.0,0.5933452128024125,0.41216331985470495,0.3261599616201768,0.2493574806387499,0.39525649372901106
EOS-2-05648,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)no1,FMEHCDZZFXKEKD-UHFFFAOYSA-N,2,1,0.5,40,117,452.434,3.779,6,0.368,0.65,1.0,0.41902542663285586,0.3454098416832294,0.3370827907614283,0.24644472620108285,0.3369906963196491
EOS-2-05649,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(-c6ccon6)o5)n34)ccn2)cn1,XBPBKSIHCZVWIK-UHFFFAOYSA-N,2,1,0.518,24,597,452.434,3.779,6,0.368,0.59,1.0,0.39053183469261876,0.270140840243986,0.28960489342745527,0.2117829483928449,0.29051512918922623
EOS-2-05650,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2)n1,YPTUZLKMGFKOHN-UHFFFAOYSA-N,2,1,0.518,77,245,452.434,3.779,6,0.368,0.71,1.0,0.6242975121650333,0.3644369817010486,0.3225361524227263,0.24645329312589953,0.38943098485367694
EOS-2-05651,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)no1,KEJUNERCRVQYRL-UHFFFAOYSA-N,2,1,0.511,28,120,452.434,3.779,6,0.368,0.69,1.0,0.4284918785552738,0.33539510657254473,0.16379103556987185,0.1278527859639504,0.26388270166541017
EOS-2-05652,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)no1,MGPNAWBYVQDYHR-UHFFFAOYSA-N,2,1,0.548,40,25,452.434,3.779,6,0.368,0.63,1.0,0.4561887464875608,0.36444554862586526,0.2708261942293194,0.21179151531766158,0.32581300116510176
EOS-2-05653,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cnoc6)cn5)n34)cc2)o1,MKVOYGCKORIBKF-UHFFFAOYSA-N,2,1,0.488,41,518,452.434,3.779,6,0.368,0.63,1.0,0.5562932629703242,0.3978051538619697,0.34070659995887875,0.2493660475635666,0.3860427660886848
EOS-2-05654,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cccnc3-c3nc(C)co3)n12,YTDYQRDUOKZPSA-UHFFFAOYSA-N,2,1,0.286,38,339,452.434,3.875,6,0.38,0.65,0.454,0.32520046604071,0.0922400795010623,0.21374477417586182,0.15107771914193682,0.19556575971489273
EOS-2-05655,COc1cc(-c2nc(C)no2)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,RZJLTZROVFWHOY-UHFFFAOYSA-N,2,1,0.346,9,340,452.434,3.875,6,0.38,0.74,1.0,0.3376396408745117,0.11157562881228154,0.31519429785484204,0.2173428825988623,0.24543811253512443
EOS-2-05656,COc1noc(COc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)n1,MIPQPHIGMINCNI-UHFFFAOYSA-N,2,1,0.439,81,755,452.434,3.372,6,0.371,0.54,1.0,0.4306164759098074,0.4121718867795216,0.1637996024946885,0.14615173737235282,0.2881849256390926
EOS-2-05657,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccon6)cn5)n34)cc2)o1,DRCTUFQMTGHUJV-UHFFFAOYSA-N,2,1,0.461,40,518,452.434,3.779,6,0.368,0.65,1.0,0.497575560276883,0.4121804537043383,0.2860239188540881,0.20860461928586116,0.3510961380302926
EOS-2-05658,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4noc(C)n4)cc3)n12,DXXOQCPYMCWZHW-UHFFFAOYSA-N,2,1,0.341,9,98,452.434,3.875,6,0.38,0.71,1.0,0.342402851072579,0.10841443355493112,0.3042629017887739,0.21180008224247823,0.24172006716469058
EOS-2-05659,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)cc5)n34)cc2)n1,KGRDBKKNACXWAO-UHFFFAOYSA-N,2,1,0.518,77,245,452.434,3.779,6,0.368,0.71,1.0,0.5563018298951409,0.3259971900486601,0.3559300253580975,0.2822973065588376,0.38013158796518404
EOS-2-05660,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cnccn5)no4)n23)cc1,RYBPJXAEABDBJV-UHFFFAOYSA-N,2,1,0.43,80,8,452.438,2.611,6,0.371,0.59,1.0,0.395012336371736,0.28567267493660475,0.10503049825234734,0.09292543348639572,0.21966023576177093
EOS-2-05661,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)o5)n34)nc2)n[nH]1,QXKWLMIFTKARRZ-UHFFFAOYSA-N,2,1,0.402,80,34,452.438,2.909,6,0.4,0.61,0.928,0.4235658967856898,0.3644541155506819,0.09040675759029539,0.06230724419162498,0.235183503529573
EOS-2-05662,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cc[nH]n6)ccn5)n34)cn2)n1,XJTODGNUIQWNKB-UHFFFAOYSA-N,2,1,0.43,6,843,452.438,2.909,6,0.4,0.69,1.0,0.4053697484750874,0.3644626824754986,0.1359142622164348,0.09897368240696319,0.251180093893496
EOS-2-05663,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cc2)n1,ONEZUFSQAYUOGH-UHFFFAOYSA-N,2,1,0.473,81,609,452.438,2.611,6,0.371,0.62,0.976,0.4260503049825235,0.20420121993009388,0.14209101500925228,0.10518470289904736,0.21938181070522925
EOS-2-05664,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)no1,YUCIZACEPWOSRQ-UHFFFAOYSA-N,2,1,0.473,56,355,452.438,2.611,6,0.371,0.62,1.0,0.3629977383318484,0.2090158316770612,0.11882324720718251,0.10963093687889795,0.2001169385237475
EOS-2-05665,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)nn1,UKGOLJQNNYFZIM-UHFFFAOYSA-N,2,1,0.432,56,197,452.438,2.611,6,0.371,0.63,1.0,0.3561356315536975,0.2497344253306833,0.16679802618052225,0.1343465149749846,0.22675364950997193
EOS-2-05666,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)nn5)n34)cc2)cn1,LPJVLIOZCPJFRR-UHFFFAOYSA-N,2,1,0.467,71,117,452.438,2.611,6,0.371,0.59,1.0,0.2889709409910219,0.21392467959701186,0.2137533411006785,0.17766088684805703,0.2235774621341923
EOS-2-05667,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncco6)cn5)n34)nc2)nn1,ZHRGQGXWFFJLOD-UHFFFAOYSA-N,2,1,0.442,6,843,452.438,2.611,6,0.371,0.63,1.0,0.19667945994105956,0.1280069906106504,0.14209958193406894,0.10101261051333013,0.14194966074977725
EOS-2-05668,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)n1,GKYDYVBIMQVEGA-UHFFFAOYSA-N,2,1,0.432,71,197,452.438,2.611,6,0.371,0.64,1.0,0.47540435885134674,0.31127921321362484,0.1605270372147214,0.11205537660201494,0.264816496470427
EOS-2-05669,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nncn4C)nc3)n12,SARNFGAKGBPTEE-UHFFFAOYSA-N,2,1,0.295,98,727,452.438,2.707,6,0.384,0.71,0.986,0.25167055033925023,0.10173223219793023,0.16053560413953807,0.11900315262833254,0.15823538482626276
EOS-2-05670,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)nn5)n34)cc2)n1,UXSJDRQBKHEZGL-UHFFFAOYSA-N,2,1,0.489,81,609,452.438,2.611,6,0.371,0.59,1.0,0.40125762456308683,0.2910612706462888,0.12703036118155028,0.09491296004386265,0.22856555410869714
EOS-2-05671,Cn1nc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cn4)n23)cc1-c1cnccn1,JAEFNJDDMVPSRN-UHFFFAOYSA-N,2,1,0.448,6,843,452.438,2.611,6,0.371,0.57,1.0,0.23804057295593173,0.12084504146391611,0.12703892810636694,0.10319717634158043,0.1472804297169488
EOS-2-05672,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5cnccn5)n4)n23)cc1,KFRKJRBQGIDFRU-UHFFFAOYSA-N,2,1,0.442,80,147,452.438,2.611,6,0.371,0.67,1.0,0.439731683914742,0.2701494071688027,0.07622849701871016,0.06231581111644164,0.21210634980467413
EOS-2-05673,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5nnco5)n4)n23)cc1,RBIRNLYNAFAHLU-UHFFFAOYSA-N,2,1,0.418,56,428,452.438,2.611,6,0.371,0.62,1.0,0.5436741827153725,0.254746076348434,0.09722602974436297,0.07673394558289356,0.24309505859776578
EOS-2-05674,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cn2)cn1,YGOPXVZYTNJERL-UHFFFAOYSA-N,2,1,0.427,6,843,452.438,2.611,6,0.371,0.58,1.0,0.29720375573983965,0.19503461037625933,0.1572544719347543,0.1120639435268316,0.1903891953944212
EOS-2-05675,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)cn3)n12,ZETDJJSDAXDDQV-UHFFFAOYSA-N,2,1,0.281,98,765,452.438,2.707,6,0.384,0.68,1.0,0.20491227468987733,0.05697005003084093,0.16380816941950518,0.12141045850181618,0.1367752381605099
EOS-2-05676,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)n1,ZLRLVGGFEXXDBD-UHFFFAOYSA-N,2,1,0.418,56,428,452.438,2.611,6,0.371,0.6,1.0,0.45384140908779386,0.23969398944554862,0.09723459666917963,0.08909601809334522,0.21996650332396683
EOS-2-05677,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccon5)cn4)n23)cc1,HVBFWBHICHXILM-UHFFFAOYSA-N,2,1,0.489,56,415,452.438,2.611,6,0.371,0.64,1.0,0.4190339935576725,0.23407408676581454,0.13592282914125145,0.11207251045164827,0.22527585497909666
EOS-2-05678,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)cn5)n34)cc2)n[nH]1,CIQNFQMNYBSZQA-UHFFFAOYSA-N,2,1,0.511,56,425,452.438,2.909,6,0.4,0.61,1.0,0.5102203413062847,0.37894078541566717,0.15120622301418682,0.10735213487766432,0.28692987115345076
EOS-2-05679,Cn1cncc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)n1,NAUQCXMFSVYVNP-UHFFFAOYSA-N,2,1,0.379,6,826,452.438,2.611,6,0.371,0.7,0.996,0.31781577684874235,0.1497755465698033,0.14210814885888562,0.10320574326639709,0.1782263038859571
EOS-2-05680,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cccnn6)no5)n34)cn2)c1,SYCSEZWEXUTEIU-UHFFFAOYSA-N,2,1,0.451,6,843,452.438,2.611,6,0.371,0.69,0.998,0.4583219107669111,0.3112877801384415,0.14211671578370227,0.11208107737646494,0.25595187101637995
EOS-2-05681,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cocn6)n5)n34)cc2)n[nH]1,SKCBTIALJZWAEM-UHFFFAOYSA-N,2,1,0.5,56,425,452.438,2.909,6,0.4,0.58,1.0,0.4538499760126105,0.3883644027140018,0.1022976492358303,0.07284456171612638,0.25433914741964225
EOS-2-05682,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)cn5)n34)nc2)nn1,ZTPULVFXMJSZNI-UHFFFAOYSA-N,2,1,0.442,6,843,452.438,2.611,6,0.371,0.62,1.0,0.1883095743951751,0.12085360838873278,0.169976355287506,0.12989171407031733,0.1522578130354328
EOS-2-05683,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)nn1,WZBGGEIUFJUPJO-UHFFFAOYSA-N,2,1,0.5,71,117,452.438,2.611,6,0.371,0.62,1.0,0.305033925022274,0.20420978685491056,0.20337879514769377,0.15108628606675348,0.21592719827290793
EOS-2-05684,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)c5)n34)cc2)o1,BPYUBFAJWBZSNR-UHFFFAOYSA-N,2,1,0.489,67,755,452.438,2.909,6,0.4,0.72,1.0,0.5845555479405112,0.44344116236035913,0.20338736207251046,0.16677232540607223,0.3495390994448633
EOS-2-05685,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnoc5)cn4)n23)cn1,IEUIXNJPSOHAPD-UHFFFAOYSA-N,2,1,0.387,80,855,452.438,2.611,6,0.371,0.63,1.0,0.4306250428346241,0.22940511274073058,0.13593139606606813,0.09898224933177986,0.2237359502433007
EOS-2-05686,Cn1ncc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)n1,UGMKZPKRZCVJKC-UHFFFAOYSA-N,2,1,0.473,56,415,452.438,2.611,6,0.371,0.6,1.0,0.42605887190734015,0.27015797409361936,0.11597046124323213,0.09293400041121239,0.226280326913851
EOS-2-05687,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)on1,DPSCOZMWXIBEAV-UHFFFAOYSA-N,2,1,0.494,56,2,452.438,2.611,6,0.371,0.62,1.0,0.46056644506887806,0.270166541018436,0.11883181413199918,0.11208964430128161,0.24041361113014872
EOS-2-05688,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cn5)n34)cc2)o1,LHVUXYXMZHTJQE-UHFFFAOYSA-N,2,1,0.489,71,932,452.438,2.704,6,0.371,0.66,1.0,0.19668802686587622,0.19963504900280996,0.16381673634432184,0.11679288602563224,0.16923317455966005
EOS-2-05689,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)no1,QJCKABLUGSBIPB-UHFFFAOYSA-N,2,1,0.462,56,415,452.438,2.611,6,0.371,0.65,1.0,0.31282982660544173,0.1996436159276266,0.06175896100335823,0.06232437804125831,0.15913919539442123
EOS-2-05690,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)cn1,BHSVOJPHYZZGGZ-UHFFFAOYSA-N,2,1,0.446,71,614,452.438,2.611,6,0.371,0.55,1.0,0.38143376053731753,0.22941367966554727,0.19288431224727573,0.1484476732232198,0.23804485641834008
EOS-2-05691,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)n[nH]1,UKQDPAMELPZETO-UHFFFAOYSA-N,2,1,0.423,71,117,452.438,2.909,6,0.4,0.58,1.0,0.48026180522239736,0.3644712494003153,0.1668065931053389,0.13222191762045096,0.2859403913371256
EOS-2-05692,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cn2)o1,FJIUBMIOKLZHSN-UHFFFAOYSA-N,2,1,0.438,6,547,452.438,2.704,6,0.371,0.6,1.0,0.21868788979507917,0.18191864848194092,0.10749777259954767,0.07868720444109382,0.14669787882941537
EOS-2-05693,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cn1,BFZGSJJRSSQXML-UHFFFAOYSA-N,2,1,0.441,71,117,452.438,2.611,6,0.371,0.63,1.0,0.3791720923857172,0.23408265369063122,0.21376190802549516,0.14616030429716947,0.24329423959975327
EOS-2-05694,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)cc1,LNYKGHZLRCLFCC-UHFFFAOYSA-N,2,1,0.517,67,117,452.438,2.611,6,0.371,0.61,1.0,0.4190425604824892,0.21393324652182852,0.16681516003015556,0.12990028099513398,0.23242281200740184
EOS-2-05695,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)cn1,XTDWVTLWEXZIMT-UHFFFAOYSA-N,2,1,0.427,56,197,452.438,2.611,6,0.371,0.64,1.0,0.38834726886436843,0.27539236515660337,0.16682372695497225,0.13881844972928517,0.2423454526763073
EOS-2-05696,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccnc6)o5)n34)cc2)nn1,IBYHSQCEXXXPLL-UHFFFAOYSA-N,2,1,0.452,71,415,452.438,2.611,6,0.371,0.71,1.0,0.2972123226646563,0.2648721814817353,0.105039065177164,0.09294256733602906,0.19001653416489614
EOS-2-05697,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(-n6cncn6)cn5)n34)ccn2)o1,WSVBGXWRBTWQHF-UHFFFAOYSA-N,2,1,0.473,6,597,452.438,2.704,6,0.371,0.71,1.0,0.2701494071688027,0.16517887739017204,0.19984922212322664,0.12786135288876704,0.19075971489274213
EOS-2-05698,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-n6cccn6)nc5)n34)cc2)no1,AMCFEGKNUJACFW-UHFFFAOYSA-N,2,1,0.506,56,8,452.438,2.704,6,0.371,0.72,1.0,0.4561973134123775,0.2397025563703653,0.08796518401754506,0.05939448975395792,0.21081488588856143
EOS-2-05699,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cc2)n1,KVYBUGULCAXZPD-UHFFFAOYSA-N,2,1,0.495,81,609,452.438,2.611,6,0.371,0.58,1.0,0.3814423274621342,0.24482557741073263,0.1159790281680488,0.08539510657254472,0.20691050990336507
EOS-2-05700,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5cccnc5)n4)n23)cc1,SFZBGZCXSAKHGD-UHFFFAOYSA-N,2,1,0.429,56,428,452.438,2.611,6,0.371,0.69,1.0,0.4143136179836886,0.25475464327325065,0.08062332944966075,0.07485778904804331,0.20613734493866082
EOS-2-05701,Cn1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cocn6)nc5)n34)n2)n1,QFQWTZLGQFTFEM-UHFFFAOYSA-N,2,1,0.494,6,297,452.438,2.611,6,0.371,0.59,0.998,0.33764820779932836,0.20902439860187788,0.12434034678911658,0.08910458501816187,0.19002938455212115
EOS-2-05702,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)o1,FFINWCHPZPZLIP-UHFFFAOYSA-N,2,1,0.427,6,843,452.438,2.611,6,0.371,0.62,1.0,0.272693783839353,0.16911109588102255,0.10504763210198068,0.10963950380371462,0.16412300390651768
EOS-2-05703,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nnc(CO)o6)cc5)n34)cn2)cn1,FEIURDRSOJCPFD-UHFFFAOYSA-N,2,1,0.289,98,167,452.438,2.191,6,0.413,0.61,1.0,0.14088307861010213,0.14586046192858612,0.13920396134603522,0.1168014529504489,0.13568723870879307
EOS-2-05704,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncco5)nn4)n23)cc1,IQZSAOIWQKFJQA-UHFFFAOYSA-N,2,1,0.489,67,609,452.438,2.611,6,0.371,0.62,1.0,0.4121376190802549,0.20903296552669454,0.0998218079638133,0.0837245562332945,0.20117923720101433
EOS-2-05705,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)n2)cn1,QOWGQCOUVNKCEV-UHFFFAOYSA-N,2,1,0.382,6,826,452.438,2.611,6,0.371,0.64,1.0,0.25651086286066754,0.1421424165581523,0.16054417106435473,0.11452265094921527,0.16843002535809748
EOS-2-05706,Cc1nc(-c2nnc3cncc(OCc4cn(-c5ccccc5)nn4)n23)ccc1-c1nnco1,KIAHSDIORWKHFA-UHFFFAOYSA-N,2,1,0.581,81,104,452.438,2.704,6,0.371,0.57,0.994,0.06387499143307518,0.09224864642587896,0.06982900418065931,0.06393495990679186,0.07247190048660133
EOS-2-05707,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)ccn1,PQNRLSCRZHEAAV-UHFFFAOYSA-N,2,1,0.462,6,597,452.438,2.611,6,0.371,0.59,1.0,0.2540093208142005,0.1244945514358166,0.145063737920636,0.10519326982386402,0.15719021999862928
EOS-2-05708,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5nnco5)cn4)n23)cc1,GUHYZZMCNHOGKC-UHFFFAOYSA-N,2,1,0.432,56,197,452.438,2.611,6,0.371,0.63,1.0,0.5308237954903707,0.2961500239873895,0.12434891371393325,0.09295113426084572,0.26106846686313484
EOS-2-05709,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6ncon6)n5)n34)c2)cn1,IIFLXIYWAIBSLD-UHFFFAOYSA-N,2,1,0.4,80,34,452.438,2.611,6,0.371,0.56,1.0,0.20211089027482695,0.09853676924131313,0.14806216160646973,0.10964807072853129,0.1395894729627853
EOS-2-05710,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,NCQRXTJFHJKBFP-UHFFFAOYSA-N,2,1,0.473,81,117,452.438,2.611,6,0.371,0.65,1.0,0.4260674388321568,0.2139418134466452,0.11298060448221506,0.09492152696867932,0.21197784593242408
EOS-2-05711,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cc1,KBYACMKYMFFQHH-UHFFFAOYSA-N,2,1,0.562,67,245,452.438,2.611,6,0.371,0.64,1.0,0.490148036460832,0.2802926461517374,0.1830152148584744,0.1641422794873552,0.27939954423959973
EOS-2-05712,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cc2)n[nH]1,FFTSESRXCSVOGE-UHFFFAOYSA-N,2,1,0.553,56,425,452.438,2.909,6,0.4,0.62,1.0,0.6214961277499829,0.36447981632513193,0.1512147899390035,0.11209821122609828,0.3123222363100541
EOS-2-05713,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)no1,QNDWMLSKXUMRMK-UHFFFAOYSA-N,2,1,0.552,56,425,452.438,2.909,6,0.4,0.6,1.0,0.5410441367966554,0.34541840860804607,0.1392125282708519,0.1052018367486807,0.2827192276060585
EOS-2-05714,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)nn5)n34)cn2)cn1,GYOKVCFRZGRGLF-UHFFFAOYSA-N,2,1,0.43,6,843,452.438,2.611,6,0.371,0.63,1.0,0.337656774724145,0.20421835377972722,0.1605527379891714,0.12365499280378316,0.2065207148242067
EOS-2-05715,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnnn6C)on5)n34)cc2)cn1,GJQWEYZGIXBNQP-UHFFFAOYSA-N,2,1,0.341,25,213,452.438,2.707,6,0.384,0.76,1.0,0.20778219450346103,0.13473202659173464,0.11298917140703173,0.10736070180248099,0.1407160235761771
EOS-2-05716,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncon6)n5)n34)cn2)c1,WVFXFYGFWMVZRW-UHFFFAOYSA-N,2,1,0.447,80,34,452.438,2.611,6,0.371,0.64,1.0,0.38613700226166814,0.3061561921732575,0.11884038105681584,0.08911315194297854,0.22506168185868
EOS-2-05717,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cn1,JBWSULDCHUZMKF-UHFFFAOYSA-N,2,1,0.421,71,350,452.438,2.611,6,0.371,0.69,1.0,0.3492735247755466,0.23409122061544788,0.2033959289973271,0.14845624014803646,0.2338042286340895
EOS-2-05718,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)o4)n23)cn1,ILRNSRKFADSLRK-UHFFFAOYSA-N,2,1,0.439,6,843,452.438,2.611,6,0.371,0.58,1.0,0.3791806593105339,0.2547632101980673,0.09255705571927901,0.06907511479679254,0.1988940100061682
EOS-2-05719,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cn4)n23)cn1,QKJRNGNNIKOCSV-UHFFFAOYSA-N,2,1,0.478,80,34,452.438,2.611,6,0.371,0.61,1.0,0.409918785552738,0.25477177712288396,0.12435748063874992,0.08912171886779521,0.21954244054554176
EOS-2-05720,Cn1ccnc1-c1nccc(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)n1,BTWAPTBTKZYVRX-UHFFFAOYSA-N,2,1,0.5,56,8,452.438,2.611,6,0.371,0.63,1.0,0.4654495922143787,0.28030121307655403,0.0855578781440614,0.06394352683160853,0.22381305256665066
EOS-2-05721,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)no1,IPQAWWQOJYLKTL-UHFFFAOYSA-N,2,1,0.571,56,415,452.438,2.611,6,0.371,0.65,1.0,0.33766534164896167,0.23971112329518196,0.0972431635939963,0.1190117195531492,0.19840783702282228
EOS-2-05722,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cocn5)cn4)n23)c1,KWRUQBIEGXQBDP-UHFFFAOYSA-N,2,1,0.446,6,826,452.438,2.611,6,0.371,0.58,1.0,0.367649578507299,0.17787505996847372,0.14212528270851896,0.13435508189980125,0.20550125077102324
EOS-2-05723,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2)n1,LMJQKWYKWUJVTH-UHFFFAOYSA-N,2,1,0.447,71,415,452.438,2.704,6,0.371,0.63,1.0,0.38384963333561783,0.24483414433554931,0.0947930230964293,0.07089130285792612,0.19859202590638064
EOS-2-05724,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)[nH]c4=O)n23)cn1,XCEPFFUVIZBJNZ-UHFFFAOYSA-N,2,1,0.258,42,899,452.438,2.475,6,0.417,0.58,0.592,0.09610376259337948,0.08268795833047769,0.07418956891234323,0.08373312315811117,0.08417860324857789
EOS-2-05725,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nn4)n23)cc1,VPCMSQSZNASTLJ-UHFFFAOYSA-N,2,1,0.473,81,609,452.438,2.611,6,0.371,0.56,1.0,0.322570420121993,0.1904684394489754,0.16056130491398807,0.1343636488246179,0.2019909533273936
EOS-2-05726,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cn5)n34)cn2)n1C,XWVSEVLTKKJQKV-UHFFFAOYSA-N,2,1,0.343,6,318,452.438,3.133,6,0.384,0.62,1.0,0.37217291481049963,0.1996521828524433,0.13922109519566855,0.08540367349736139,0.19911246658899318
EOS-2-05727,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6nnco6)n5)n34)cc2)n1,DLJHYSORWQYCIL-UHFFFAOYSA-N,2,1,0.413,71,428,452.438,2.611,6,0.371,0.63,1.0,0.4628795147693784,0.27017510794325267,0.11598759509286546,0.08913028579261188,0.2345431258995271
EOS-2-05728,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)on2)nn1,FXXDMOWKJXNIND-UHFFFAOYSA-N,2,1,0.436,6,833,452.438,2.611,6,0.371,0.66,0.938,0.2778596395038037,0.13853574121033513,0.09983037488862997,0.0929597011856624,0.15229636419710782
EOS-2-05729,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2)n1,PZMPDZCWXRTAKM-UHFFFAOYSA-N,2,1,0.478,71,614,452.442,1.536,6,0.365,0.61,1.0,0.2516791172640669,0.1819272154067576,0.042003632376122264,0.0327342197244877,0.12708604619285863
EOS-2-05730,Cn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,FGAIGFSXAQRFKF-UHFFFAOYSA-N,2,1,0.404,56,425,452.442,1.741,6,0.396,0.69,1.0,0.31014837913782467,0.18193578233157426,0.07623706394352683,0.06233294496607498,0.15766354259475018
EOS-2-05731,Cn1nccc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)n1,DFXNNVMCRFHNSI-UHFFFAOYSA-N,2,1,0.409,56,428,452.442,1.741,6,0.396,0.59,1.0,0.4326468370913577,0.23971969021999862,0.0741981358371599,0.05352614625454047,0.2000227023507642
EOS-2-05732,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)nn2)cn1,HQEHVFDZZPFOMB-UHFFFAOYSA-N,2,1,0.404,67,789,452.442,1.965,6,0.381,0.69,1.0,0.3277705434857104,0.23409978754026456,0.0762456308683435,0.05098176958399013,0.17227443286957714
EOS-2-05733,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,XTVNTUJLPXEZPF-UHFFFAOYSA-N,2,1,0.396,56,428,452.442,1.741,6,0.396,0.62,1.0,0.47799157014598037,0.30616475909807417,0.04054725515728874,0.03381365225138784,0.2146293091631828
EOS-2-05734,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n1,QNSDTDHSCMYDJB-UHFFFAOYSA-N,2,1,0.398,56,428,452.442,1.741,6,0.396,0.58,1.0,0.4515797409361935,0.31638510040435885,0.03376225070248783,0.035921115756288126,0.2094120519498321
EOS-2-05735,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,WHSXGVDUESVPOZ-UHFFFAOYSA-N,2,1,0.441,56,415,452.442,1.741,6,0.396,0.69,1.0,0.3769446919333836,0.34031252141731205,0.02259954766636968,0.020937564251936124,0.19019858131725034
EOS-2-05736,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-n6cncn6)cc5)n34)cn2)nn1,KHJVCAYPVIJSSK-UHFFFAOYSA-N,2,1,0.437,71,614,452.442,1.536,6,0.365,0.61,1.0,0.302326776780207,0.16126379274895483,0.08797375094236173,0.06395209375642519,0.15387910355698717
EOS-2-05737,Cn1nnnc1COc1cncc2nnc(-c3cnc(-c4ccc(-n5ccnc5)cc4)cn3)n12,VOPCSRUUBCWDOE-UHFFFAOYSA-N,2,1,0.33,80,816,452.442,1.536,6,0.365,0.53,1.0,0.2021194571996436,0.12801555753546706,0.035030155575354674,0.04056438900692207,0.10143238982934684
EOS-2-05738,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nnn(-c6ccccc6)n5)n34)nn2)cn1,AKLKNVKPOBVNDS-UHFFFAOYSA-N,2,1,0.343,53,288,452.442,1.536,6,0.365,0.52,0.652,0.0755260091837434,0.0955126447810294,0.02260811459118635,0.020946131176752793,0.05364822493317798
EOS-2-05739,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nc[nH]n6)n5)n34)cn2)n1,HFTBDWDCAFHJCO-UHFFFAOYSA-N,2,1,0.429,6,584,452.442,1.741,6,0.396,0.66,0.902,0.3721814817353163,0.2547803440477006,0.0559677198272908,0.03692344595983826,0.17996324789253648
EOS-2-05740,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1,UJLKSYKWJDHWGG-UHFFFAOYSA-N,2,1,0.549,67,499,452.442,1.741,6,0.396,0.7,1.0,0.5563103968199575,0.3789493523404839,0.11017922006716468,0.10736926872729764,0.2882020594887259
EOS-2-05741,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1,XBRYSSBMPHYQEG-UHFFFAOYSA-N,2,1,0.541,67,499,452.442,1.741,6,0.396,0.72,1.0,0.5102289082311013,0.36945719964361595,0.09983894181344664,0.1010211774381468,0.2701365567815777
EOS-2-05742,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n(C)n1,HFOXMVDRJLRTRD-UHFFFAOYSA-N,2,1,0.333,99,502,452.442,1.965,6,0.381,0.57,1.0,0.2380491398807484,0.195043177301076,0.03909944486327188,0.027945308751970394,0.12503426769926668
EOS-2-05743,Cn1nnnc1-c1ccc(-c2nnc3cncc(Oc4cccc(-c5nnnn5C)c4)n23)cc1,UBINRUCYYUOIGC-UHFFFAOYSA-N,2,1,0.606,25,941,452.442,1.965,6,0.381,0.75,1.0,0.37219004866013294,0.24974299225549998,0.046843944897539576,0.05499109039819067,0.1809420190528408
EOS-2-05744,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nn[nH]n6)n5)n34)cc2)n1,CAAHWYBDLNARFM-UHFFFAOYSA-N,2,1,0.408,56,614,452.442,1.741,6,0.396,0.61,1.0,0.369971215132616,0.2397282571448153,0.08063189637447742,0.06908368172160921,0.18985376259337947
EOS-2-05745,Cn1nc(-c2ncccn2)nc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,ONHWYWMFUZAVRP-UHFFFAOYSA-N,2,1,0.413,56,425,452.442,1.741,6,0.396,0.64,1.0,0.43265540401617436,0.29615859091220614,0.015069220752518675,0.011805222397368241,0.18892210951956687
EOS-2-05746,Cn1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)n1,OUBRRJHWKJCIEJ-UHFFFAOYSA-N,2,1,0.417,56,614,452.442,1.741,6,0.396,0.57,1.0,0.3861455691864848,0.19505174422589266,0.09480159002124597,0.07285312864094305,0.18721300801864163
EOS-2-05747,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)cn1,VLIAUIIJMLJYCI-UHFFFAOYSA-N,2,1,0.409,56,197,452.442,1.741,6,0.396,0.66,1.0,0.38145089438695085,0.2754009320814201,0.07848159824549379,0.05940305667877459,0.19868412034815983
EOS-2-05748,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)n5)n34)cc2)n1,RXIZZLHHZIDSJT-UHFFFAOYSA-N,2,1,0.484,56,415,452.442,1.741,6,0.396,0.57,1.0,0.3746230553080666,0.27540949900623674,0.06366938523747516,0.04836885751490645,0.19051769926667123
EOS-2-05749,Cn1nncc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,PLSDMOXECGPAFG-UHFFFAOYSA-N,2,1,0.427,56,425,452.442,1.741,6,0.396,0.65,1.0,0.3653622095812487,0.22425639092591323,0.08064046329929409,0.06234151189089165,0.18315014392433693
EOS-2-05750,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)cn1,QYJYNHACVKDETG-UHFFFAOYSA-N,2,1,0.432,56,197,452.442,1.741,6,0.396,0.71,1.0,0.40992735247755463,0.2701836748680694,0.13007161949146734,0.09107497772599547,0.22531440614077172
EOS-2-05751,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cn(-c5cccnn5)nn4)n23)cc1,RHSRKDXOHJUSNN-UHFFFAOYSA-N,2,1,0.536,71,614,452.442,1.536,6,0.365,0.62,1.0,0.09611232951819615,0.14215098348296895,0.046852511822356245,0.044291001302172575,0.08235170653142347
EOS-2-05752,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)n1,HBOHUAVGLQAHCZ-UHFFFAOYSA-N,2,1,0.468,67,415,452.442,1.741,6,0.396,0.69,1.0,0.4190511274073059,0.259749160441368,0.0655712425467754,0.05635323144404085,0.2001811904598725
EOS-2-05753,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cn2)cn1,PJUVBQKDZSYGHY-UHFFFAOYSA-N,2,1,0.436,56,614,452.442,1.741,6,0.396,0.68,1.0,0.35614419847851414,0.23973682406963195,0.13289013775615105,0.09493009389349599,0.20592531354944832
EOS-2-05754,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6c[nH]nn6)n5)n34)cn2)n1,IIFUQRRTFLUUFG-UHFFFAOYSA-N,2,1,0.412,6,502,452.442,1.741,6,0.396,0.58,0.785,0.2727023507641697,0.26488074840655196,0.05780960866287437,0.041892262353505585,0.1593212425467754
EOS-2-05755,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4nn[nH]n4)n23)cc1,LXYFKPPCZCIMGE-UHFFFAOYSA-N,2,1,0.451,67,415,452.442,1.741,6,0.396,0.63,1.0,0.4975841272016997,0.27019224179288603,0.05965149749845795,0.05636179836885751,0.2209474162154753
EOS-2-05756,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)nn1,HFIXEEFDWICGBF-UHFFFAOYSA-N,2,1,0.409,56,197,452.442,1.741,6,0.396,0.68,1.0,0.36537077650606536,0.26488931533136867,0.07849016517031046,0.05637036529367418,0.1912801555753547
EOS-2-05757,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)nn4)n23)cn1,JSNKZZJQAYGCPW-UHFFFAOYSA-N,2,1,0.406,71,502,452.442,1.536,6,0.365,0.66,1.0,0.1631399492838051,0.14978411349461998,0.06983757110547598,0.052292509080940304,0.10876353574121034
EOS-2-05758,CCOc1nc(-c2nnc3cncc(OCC4COCCO4)n23)ccc1-c1cncc(F)c1,OUXISPIANMQDFL-UHFFFAOYSA-N,2,1,0.367,31,548,452.446,2.58,5,0.418,0.75,0.986,0.6215046946747995,0.4653553560413954,0.24233260228908232,0.23492221232266466,0.3910287163319855
EOS-2-05759,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1nccs1,MVGSIVKECZBOKP-UHFFFAOYSA-N,2,1,0.467,97,383,452.446,4.176,5,0.382,0.66,1.0,0.8783068329792337,0.7202556370365294,0.7673480227537524,0.6553183469261874,0.7553072099239257
EOS-2-05760,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccsc5)cn4)n23)cc1,JTBOAYRCCPWVBW-UHFFFAOYSA-N,2,1,0.679,27,996,452.446,4.49,5,0.36,0.69,1.0,0.8103454184086081,0.8148259200877254,0.8197433349324926,0.754720375573984,0.7999087622507026
EOS-2-05761,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnsc5)nc4)n23)cc1,DDFGAEJTKICWFJ-UHFFFAOYSA-N,2,1,0.693,97,996,452.446,4.49,5,0.36,0.72,1.0,0.9060893701596875,0.8109108354465081,0.8738948666986499,0.8086834349941745,0.8498946268247549
EOS-2-05762,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)s5)n34)ccc2F)cc1=O,JFQLLIXDXPJTLH-UHFFFAOYSA-N,2,1,0.489,4,605,452.446,3.471,5,0.406,0.66,1.0,0.5513844150503735,0.5564131999177575,0.6947947364813927,0.6786717839764238,0.6203160338564868
EOS-2-05763,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)c(-c2nnnn2C)n1,OGEDGBXLYNQGCI-UHFFFAOYSA-N,2,1,0.258,99,286,452.446,0.938,6,0.375,0.6,1.0,0.1085001028030978,0.0569786169556576,0.004746076348433966,0.002912754437667055,0.0432843876362141
EOS-2-05764,OCc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)s1,GEXGXWSAHGFVIP-UHFFFAOYSA-N,2,1,0.612,2,884,452.446,3.659,5,0.42,0.7,1.0,0.7020594887259269,0.604550750462614,0.767356589678569,0.7340569529161812,0.7020059454458228
EOS-2-05765,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccs5)n4)n23)cc1,HVACTVLMVKJCBA-UHFFFAOYSA-N,2,1,0.612,24,996,452.446,4.49,5,0.36,0.8,1.0,0.9107754780344047,0.9326811047906244,0.7259440751147967,0.6697536152422726,0.8097885682955247
EOS-2-05766,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)cc1,VHVVDMFSEFLJPQ-UHFFFAOYSA-N,2,1,0.705,27,996,452.446,4.49,5,0.36,0.81,1.0,0.869971215132616,0.9150846412171887,0.7534610376259337,0.6846686313480913,0.8057963813309574
EOS-2-05767,COc1ccc(F)c(F)c1-c1cncc(-c2nnc3cncc(OCc4ccns4)n23)c1,BCBUHPSFGROUAP-UHFFFAOYSA-N,2,1,0.467,2,884,452.446,4.176,5,0.382,0.56,1.0,0.6443612500856692,0.6233551504351997,0.7788791035569872,0.7041155506819272,0.6876777636899458
EOS-2-05768,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4)n23)cc1,ZDXHAHIYZRBYEX-UHFFFAOYSA-N,2,1,0.771,1,431,452.446,4.49,5,0.36,0.85,1.0,0.6841374820094579,0.6572716057843876,0.8864882461791516,0.8412977177712289,0.7672987629360566
EOS-2-05769,COc1ccc(OC(F)F)c(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)c1,AHWIQIPHBZSQSD-UHFFFAOYSA-N,2,1,0.425,61,697,452.446,4.587,5,0.372,0.76,1.0,0.3153570694263587,0.402722568706737,0.8817678706051676,0.8086920019189912,0.6021348776643136
EOS-2-05770,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6nnn(C)n6)nc5)n34)cn2)n(C)n1,CXAZDVMPRRVQNB-UHFFFAOYSA-N,2,1,0.264,99,286,452.446,0.938,6,0.375,0.57,1.0,0.0839644301281612,0.03546706874100473,0.003580974573367144,0.0012850387225001713,0.031074378041258312
EOS-2-05771,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cc1,GMAULCQUWDUMAR-UHFFFAOYSA-N,2,1,0.784,1,996,452.446,4.49,5,0.36,0.77,1.0,0.7175484887944623,0.814834487012542,0.8471146597217463,0.77480981426907,0.7885768624494551
EOS-2-05772,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2F)s1,CXQCQYQHGJNVBV-UHFFFAOYSA-N,2,1,0.539,37,619,452.45,3.017,5,0.409,0.58,1.0,0.7386830923171819,0.5805376602014941,0.48991672949078197,0.4803389075457474,0.5723690973888014
EOS-2-05773,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c(F)c2)s1,LGOBYAPPZMYYGV-UHFFFAOYSA-N,2,1,0.528,37,619,452.45,3.017,5,0.409,0.63,1.0,0.6901257624563086,0.5906380645603454,0.48662703036118155,0.47440202864779657,0.560448221506408
EOS-2-05774,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ncn2)s1,HTGHGAGXPSLMSW-UHFFFAOYSA-N,2,1,0.412,18,194,452.45,3.308,5,0.387,0.55,0.912,0.5845641148653279,0.49197279144678224,0.37878658076896715,0.3607532040298814,0.45401917277773973
EOS-2-05775,Cc1sc(-c2cnccn2)nc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,ISTPOSVELBIIRY-UHFFFAOYSA-N,2,1,0.467,7,69,452.45,3.925,5,0.382,0.61,0.998,0.5358440134329381,0.5952385031868961,0.3004077856212734,0.24937461448838324,0.4202162291823727
EOS-2-05776,Cc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cs2)cn1,XZYIJNHWORMWBV-UHFFFAOYSA-N,2,1,0.478,7,69,452.45,3.925,5,0.382,0.67,1.0,0.515112055376602,0.6143170447536153,0.39334178603248576,0.2971866218902063,0.4549893770132273
EOS-2-05777,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)nc2F)s1,WJTSTPSFVPKAOE-UHFFFAOYSA-N,2,1,0.442,31,237,452.45,3.308,5,0.362,0.63,1.0,0.6047734905078473,0.5702830511959427,0.24956308683434994,0.27039784798848604,0.4237543691316565
EOS-2-05778,Cc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cs1,JZIHOGLBXRCYIO-UHFFFAOYSA-N,2,1,0.457,7,69,452.45,3.925,5,0.382,0.7,1.0,0.5563189637447742,0.5564217668425742,0.4479302309642931,0.3477486121581797,0.47710489342745527
EOS-2-05779,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)s1,KXSORVMSNGRVBQ-UHFFFAOYSA-N,2,1,0.539,35,161,452.45,3.017,5,0.409,0.63,1.0,0.6811990267973408,0.5657083133438421,0.5180590775135357,0.49568226989239944,0.5651621718867795
EOS-2-05780,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cc(F)n5)n34)c2)s1,ZHBFXWPSISIFPY-UHFFFAOYSA-N,2,1,0.449,87,838,452.45,3.308,5,0.362,0.58,1.0,0.5902953875676787,0.547169488040573,0.26361284353368514,0.2852100609965047,0.4215719450346104
EOS-2-05781,FC(F)c1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cn2)cs1,HAGDGXJFAMSPAW-UHFFFAOYSA-N,2,1,0.484,58,579,452.45,3.659,5,0.369,0.65,0.999,0.570608594338976,0.7016140086354602,0.2896134603522719,0.24646186005071619,0.45207448084435614
EOS-2-05782,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nc2F)s1,OTQQNQBGHPYNEC-UHFFFAOYSA-N,2,1,0.418,58,237,452.45,3.308,5,0.362,0.64,1.0,0.5814200534576108,0.5657168802686587,0.16382530326913852,0.19149647042697554,0.3756146768555959
EOS-2-05783,Cc1nc(-c2ccc(C(F)F)nc2)cc(-c2nnc3cncc(OCc4ccns4)n23)n1,SZPIYHVFDZQXIG-UHFFFAOYSA-N,2,1,0.462,46,500,452.45,3.925,5,0.382,0.61,0.999,0.5334624083339045,0.45665992735247757,0.44444349256390925,0.3540624357480639,0.44715706599958877
EOS-2-05784,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)ncn2)s1,IMTKKVPDOHZOEO-UHFFFAOYSA-N,2,1,0.429,18,194,452.45,3.308,5,0.362,0.58,0.995,0.5677643752998424,0.5149664176547186,0.3634774861215818,0.32833596052361047,0.44363605989993826
EOS-2-05785,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2F)s1,DNDFRJJLNFPCPV-UHFFFAOYSA-N,2,1,0.443,31,928,452.45,3.308,5,0.362,0.63,0.965,0.6103077239394147,0.5805462271263108,0.18633061476252485,0.2229627852785964,0.4000368377767117
EOS-2-05786,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cnn2)s1,ZDJMTEWDFZPPSE-UHFFFAOYSA-N,2,1,0.548,72,226,452.45,3.925,5,0.382,0.77,1.0,0.8359005551367281,0.6622232883284216,0.4899252964155987,0.4590072647522445,0.6117641011582482
EOS-2-05787,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c(F)c2)o1,IRNAFBMJMMPDSV-UHFFFAOYSA-N,2,1,0.333,42,693,452.453,4.356,6,0.392,0.66,1.0,0.2917466246316222,0.3742546775409499,0.5280566787745871,0.4683623466520458,0.4156050818998013
EOS-2-05788,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c(F)c2)n1C,JCQJBNFCQNSEMB-UHFFFAOYSA-N,2,1,0.329,9,340,452.453,4.356,6,0.392,0.67,1.0,0.32777911041052704,0.3214053183469262,0.5970289904735796,0.5389195394421219,0.44628323966828876
EOS-2-05789,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cc5)n34)cc2)n[nH]1,ZJEVGFIZZUGMIZ-UHFFFAOYSA-N,2,1,0.5,77,933,452.453,4.085,6,0.409,0.68,1.0,0.6443698170104859,0.4787625933794805,0.7673651566033857,0.712733877047495,0.6508078610102118
EOS-2-05790,Cc1cc(C#N)cnc1-c1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccn1,JVLYVWIBQVFVQG-UHFFFAOYSA-N,2,1,0.484,75,583,452.453,3.584,5,0.384,0.65,1.0,0.8234956480021931,0.7478582687958331,0.5143752998423686,0.4835600712768145,0.6423223219793023
EOS-2-05791,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3ccc(-n4cccc4)cc3)n12,YAAAODPRZVAODT-UHFFFAOYSA-N,2,1,0.484,77,603,452.453,4.085,6,0.409,0.66,1.0,0.5933537797272291,0.5331796998149544,0.7285655541086972,0.6932783907888425,0.6370943561099308
EOS-2-05792,Cn1c(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cn2)nc2ccccc21,PTMYNVMFSMWMFJ-UHFFFAOYSA-N,2,1,0.462,28,891,452.453,3.853,6,0.367,0.79,1.0,0.5563275306695908,0.5286991981358372,0.37482866150366667,0.37697895963265027,0.45920858748543625
EOS-2-05793,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)c(F)c5)n34)nc2)n(C)n1,GUBBHRHFCPPXHW-UHFFFAOYSA-N,2,1,0.329,38,193,452.453,4.356,6,0.392,0.67,1.0,0.23805770680556507,0.2547889109725173,0.39715406757590294,0.41778322253443906,0.3269459769721061
EOS-2-05794,Cc1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)o2)n1C,MTLHEBKFIQJZBU-UHFFFAOYSA-N,2,1,0.315,38,193,452.453,4.356,6,0.392,0.67,0.999,0.1912137619080255,0.2803097800013707,0.3337588239325612,0.38978651223356864,0.2987672195188815
EOS-2-05795,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)ccc5F)n34)cc2)o1,QIWNWGLOWJJHDJ-UHFFFAOYSA-N,2,1,0.341,9,642,452.453,4.356,6,0.392,0.74,1.0,0.2834795421835378,0.4027311356315537,0.5748320882735933,0.5428174902337057,0.45096506408059767
EOS-2-05796,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccc(F)cc5)n34)cc2)no1,MJKXHFDLJUNBND-UHFFFAOYSA-N,2,1,0.39,9,625,452.453,4.356,6,0.392,0.77,1.0,0.18549962305530807,0.3454269755328627,0.46555239531217874,0.4744105955726133,0.3677223973682407
EOS-2-05797,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnn(C)c5-c5ccc(F)cc5)n34)cc2)o1,ULWDNHBARNTIPW-UHFFFAOYSA-N,2,1,0.382,9,598,452.453,4.356,6,0.392,0.7,1.0,0.1966965937906929,0.3454355424576794,0.44793879788910973,0.47742615310808034,0.3668742718113906
EOS-2-05798,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccc(F)cc5)n34)cc2)n1,PVTNOEIFWRUJKQ-UHFFFAOYSA-N,2,1,0.382,9,625,452.453,4.356,6,0.392,0.74,1.0,0.2077907614282777,0.3354036734973614,0.4795336166129806,0.48356863820163115,0.3765741724350627
EOS-2-05799,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)cn5)n34)c(F)c2)n[nH]1,RKULXLLUMFSAIK-UHFFFAOYSA-N,2,1,0.302,98,314,452.457,3.486,6,0.435,0.65,1.0,0.15226852169145363,0.3163936673291755,0.35593859228291413,0.32517476526626005,0.28744388664245085
EOS-2-05800,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5F)n34)nc2)nn1,CDGUPBWBMYXKNT-UHFFFAOYSA-N,2,1,0.31,98,42,452.457,3.188,6,0.405,0.68,1.0,0.12168460009594956,0.23974539099444864,0.3670156260708656,0.3509783428140635,0.2698559899938318
EOS-2-05801,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncccc6F)cc5)n34)n(C)n2)nn1,CFPDCFATJHWCAS-UHFFFAOYSA-N,2,1,0.325,98,63,452.457,3.188,6,0.405,0.66,1.0,0.10358268795833048,0.2090415324515112,0.2860324857789048,0.3221249400315263,0.23019541155506817
EOS-2-05802,Cc1c(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)c(-c2ccc(F)cc2)nn1C,PYRJYHOZQBEMQK-UHFFFAOYSA-N,2,1,0.31,98,154,452.457,3.486,6,0.435,0.6,1.0,0.08397299705297787,0.2961671578370228,0.20695120279624427,0.2584898224933178,0.21139529504489069
EOS-2-05803,FCCn1cncc1-c1cncc(-c2nnc3cncc(Cc4cc5ccncc5nn4)n23)c1,LJOGHVQXHNYYER-UHFFFAOYSA-N,2,1,0.286,85,905,452.457,2.948,6,0.379,0.57,0.716,0.13584572681790144,0.15370776506065384,0.21377047495031185,0.25569700500308407,0.1897552429579878
EOS-2-05804,Cc1nc(-c2ccc(F)cn2)c(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)n1C,MUZWJGQQRPDWPP-UHFFFAOYSA-N,2,1,0.259,10,37,452.457,3.282,6,0.404,0.62,0.711,0.010888561441984785,0.07926118840381056,0.09984750873826331,0.1641508464121719,0.08853702624905764
EOS-2-05805,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccc(F)cc4)n23)cn1,DLZAHRGLCKEZLU-UHFFFAOYSA-N,2,1,0.349,98,314,452.457,3.188,6,0.405,0.69,1.0,0.12459735453361662,0.2856812418614214,0.2860410527037215,0.3381279555890617,0.2586119011719553
EOS-2-05806,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)c5)n34)c(F)c2)n[nH]1,IXZHDTSYJDEINO-UHFFFAOYSA-N,2,1,0.315,67,642,452.457,3.486,6,0.435,0.66,1.0,0.1796912480296073,0.2397539579192653,0.32254471934754303,0.33813652251387843,0.2700316119525735
EOS-2-05807,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccc(F)cn6)cn5C)n34)nc2)n[nH]1,CVZLOCHDIJRGTB-UHFFFAOYSA-N,2,1,0.257,70,652,452.457,3.486,6,0.435,0.56,0.001,0.13833013501473512,0.2754180659310534,0.24957165375916662,0.2616424508258515,0.23124057638270168
EOS-2-05808,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4F)n23)nc1,HKOCAUOHGLBWJZ-UHFFFAOYSA-N,2,1,0.317,98,765,452.457,3.188,6,0.405,0.66,1.0,0.22126653416489617,0.32141388527174286,0.3152028647796587,0.3130182989514084,0.2927253957919266
EOS-2-05809,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)n1C,NKIKCFKMQQQBMO-UHFFFAOYSA-N,2,1,0.321,9,7,452.457,3.486,6,0.435,0.75,1.0,0.20492084161469398,0.2648978822561853,0.30041635254609006,0.31901514632307587,0.27231255568501134
EOS-2-05810,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4)n23)c(F)c1,WIBNMWMVJHVWNJ-UHFFFAOYSA-N,2,1,0.313,98,765,452.457,3.188,6,0.405,0.71,1.0,0.21316222328832843,0.2856898087862381,0.3113991501610582,0.3161280926598588,0.2815948187238709
EOS-2-05811,Cn1cc(-c2nnc3cncc(-c4ccc(-c5cnn(C)n5)cn4)n23)c(-c2ccc(F)cc2)n1,JJDUZTYORUAJEV-UHFFFAOYSA-N,2,1,0.341,98,314,452.457,3.188,6,0.405,0.76,0.942,0.12460592145843329,0.264906449181002,0.31140771708587484,0.3381450894386951,0.2597662942910013
EOS-2-05812,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6c[nH]nn6)cc5F)n34)cc2)n1C,WTFCGPNODJOQKK-UHFFFAOYSA-N,2,1,0.302,98,725,452.457,3.486,6,0.435,0.63,1.0,0.21054074429442807,0.22942224659036392,0.44077684874237544,0.40817113289013773,0.3222277431293263
EOS-2-05813,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)cc1,WJUPEKJUPPXMJG-UHFFFAOYSA-N,2,1,0.608,1,138,452.461,6.118,5,0.323,0.83,1.0,0.9696045507504626,0.8686861764101158,0.9940031526283325,0.9869954081282982,0.9548223219793023
EOS-2-05814,c1ncc(-c2ccc(-c3cncc4nnc(-c5csc(-c6cncs6)n5)n34)nn2)s1,BDABNUSSGBRDKK-UHFFFAOYSA-N,2,1,0.282,70,957,447.534,3.952,6,0.4,0.59,1.0,0.030206976903570694,0.08612329518196149,0.04347714344458913,0.07089986978274279,0.05767682132821603
EOS-2-05815,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cc5)n34)cc2)n1,JBASIQSBWVDUIC-UHFFFAOYSA-N,2,1,0.333,69,898,447.527,5.347,6,0.362,0.75,1.0,0.0797837708176273,0.1537163319854705,0.5516071550956069,0.52563223905147,0.32768487423754367
EOS-2-05816,Cc1cccc(-c2nnc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)s2)c1,XOCUQLAJLPRQNS-UHFFFAOYSA-N,2,1,0.299,30,371,447.527,5.347,6,0.362,0.67,0.997,0.03287985744637105,0.08269652525529436,0.2932201357000891,0.38613700226166814,0.19873338016585568
EOS-2-05817,Cc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)s1,NHWJQHUNZRLDHV-UHFFFAOYSA-N,2,1,0.315,30,220,447.527,5.347,6,0.362,0.78,0.938,0.051684257418956894,0.12802412446028374,0.3261685285449935,0.40817969981495444,0.22851415255979718
EOS-2-05818,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)cc2)cs1,VTWLJSBSJUINGK-UHFFFAOYSA-N,2,1,0.322,69,818,447.527,5.347,6,0.362,0.76,1.0,0.06559694332122541,0.1385443081351518,0.577907614282777,0.552198272907957,0.33356178466177777
EOS-2-05819,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cc2)cn1,YWDWBLZPNOLUFV-UHFFFAOYSA-N,2,1,0.329,38,818,447.527,5.347,6,0.362,0.74,1.0,0.08398156397779453,0.1312281543417175,0.5873569323555616,0.5652885340278254,0.3419637961757248
EOS-2-05820,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)s1,LCHSXPBLZDPWTI-UHFFFAOYSA-N,2,1,0.368,93,90,447.527,5.347,6,0.362,0.73,1.0,0.08187410047289426,0.13855287505996847,0.47260297443629634,0.5359125488314714,0.30723562470015764
EOS-2-05821,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)nc5)n34)cc2)n1,DWKAPLDXTOVWRO-UHFFFAOYSA-N,2,1,0.333,42,57,447.527,5.347,6,0.362,0.75,1.0,0.13833870193955178,0.15743437735590432,0.5873654992803783,0.5620588033719416,0.361299345486944
EOS-2-05822,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)s1,AMUMLCVKJSCHMK-UHFFFAOYSA-N,2,1,0.293,30,737,447.527,5.347,6,0.362,0.79,1.0,0.04558460694948941,0.0985453361661298,0.40431601672263723,0.43683606332670827,0.2463205057912412
EOS-2-05823,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)cc5)n34)cn2)cn1,PNOVLGBQWBIUGG-UHFFFAOYSA-N,2,1,0.338,69,174,447.527,5.347,6,0.362,0.76,1.0,0.08633746830237818,0.13123672126653416,0.662420327599205,0.635237475155918,0.37880799808100885
EOS-2-05824,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)n1,SSOFCMGJTFTPTH-UHFFFAOYSA-N,2,1,0.319,69,894,447.527,5.347,6,0.362,0.74,1.0,0.03976766499897197,0.09225721335069563,0.6123209512713317,0.6054588444931808,0.337451168528545
EOS-2-05825,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nccs6)c5)n34)cc2)cn1,ORLMWXCWNKSLMN-UHFFFAOYSA-N,2,1,0.337,69,898,447.527,5.347,6,0.362,0.78,1.0,0.06217874031937496,0.1347405935165513,0.5448478514152559,0.5159601809334521,0.31443184154615855
EOS-2-05826,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)nc5)n34)cc2)cs1,QGOBHMRPJMLUJX-UHFFFAOYSA-N,2,1,0.326,69,57,447.527,5.347,6,0.362,0.76,1.0,0.06388355835789185,0.13856144198478515,0.5842300047974779,0.5489514084024398,0.3339066033856487
EOS-2-05827,Cc1nccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c1,NTDZOZDBTJQMEK-UHFFFAOYSA-N,2,1,0.324,69,898,447.527,5.347,6,0.362,0.79,1.0,0.0839901309026112,0.11158419573709821,0.4931207593722157,0.47441916249742994,0.29077856212733877
EOS-2-05828,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)s2)n1,QSZMXSJUSLXDKH-UHFFFAOYSA-N,2,1,0.341,32,126,447.527,5.347,6,0.362,0.6,1.0,0.07745356726749367,0.10497052977863067,0.3670241929956823,0.4081882667397711,0.23940913919539442
EOS-2-05829,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncs6)cc5)n34)cc2)n1,BABQICIVUYIUOD-UHFFFAOYSA-N,2,1,0.319,69,894,447.527,5.347,6,0.362,0.66,1.0,0.08399869782742787,0.14215955040778563,0.57484065519841,0.5589575765883079,0.33998912000548287
EOS-2-05830,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncs6)c5)n34)cc2)nn1,RUWBYHSQBSXPCQ-UHFFFAOYSA-N,2,1,0.311,69,598,447.527,5.347,6,0.362,0.75,1.0,0.09365362209581249,0.1280326913851004,0.5970375573983963,0.587322664656295,0.35151163388390105
EOS-2-05831,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)cs1,SFHHPYKRKBTQQF-UHFFFAOYSA-N,2,1,0.322,32,479,447.527,5.347,6,0.362,0.78,1.0,0.05169282434377356,0.13474916044136798,0.5001113700226166,0.4835772051264478,0.2925326399835515
EOS-2-05832,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)nc2)cs1,XDSPNWFMMVQZQX-UHFFFAOYSA-N,2,1,0.3,30,93,447.527,5.347,6,0.362,0.83,0.999,0.03669213898978822,0.08927592351449523,0.46205708998697825,0.46837091357686245,0.26409901651703105
EOS-2-05833,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cc2)nn1,CKFKWRKQWKNQMY-UHFFFAOYSA-N,2,1,0.314,69,958,447.527,5.347,6,0.362,0.74,1.0,0.08634603522719485,0.1651874443149887,0.6123295181961483,0.5935850866972792,0.36436202110890276
EOS-2-05834,Cc1cccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)nc1,RGHYYFXHDFLAPY-UHFFFAOYSA-N,2,1,0.309,32,818,447.527,5.347,6,0.362,0.72,1.0,0.08400726475224453,0.15372489891028715,0.5580409156329244,0.532854156671921,0.3321568089918443
EOS-2-05835,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cs1,GRLCRGQQWRNOJZ-UHFFFAOYSA-N,2,1,0.301,69,645,447.527,5.347,6,0.362,0.74,1.0,0.06389212528270852,0.157442944280721,0.6453978479884861,0.6176495785072991,0.37109562401480367
EOS-2-05836,Cc1snnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,AJHSDMBPUHTTQY-UHFFFAOYSA-N,2,1,0.324,69,898,447.527,5.347,6,0.362,0.76,1.0,0.03288842437118772,0.0922657802755123,0.4692875745322459,0.5088667671852511,0.2758271365910493
EOS-2-05837,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)cc2)n1,VUEUSBKBBOFTOK-UHFFFAOYSA-N,2,1,0.333,32,479,447.527,5.347,6,0.362,0.77,1.0,0.06218730724419162,0.1385700089096018,0.4965218285244329,0.47145500651086286,0.2921835377972723
EOS-2-05838,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)s5)n34)cc2)n1,YPQBERLPZCWCGA-UHFFFAOYSA-N,2,1,0.303,38,270,447.527,5.347,6,0.362,0.66,1.0,0.09839969844424645,0.15745151120553766,0.507299019943801,0.4956908368172161,0.3147102666027003
EOS-2-05839,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)s5)n34)cc2)n1,VPOVEMIRRKCAPZ-UHFFFAOYSA-N,2,1,0.308,38,126,447.527,5.347,6,0.362,0.71,1.0,0.11379446233979851,0.16127235967377151,0.43705023644712493,0.4241570145980399,0.2840685182646837
EOS-2-05840,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)s2)cc1,KGNNSMYXUCWELW-UHFFFAOYSA-N,2,1,0.304,32,270,447.527,5.347,6,0.362,0.67,1.0,0.0840158316770612,0.1736172983345898,0.5414039476389555,0.5457987800699061,0.33620896443012815
EOS-2-05841,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)cc2)s1,PSAWZWWVNIGMFV-UHFFFAOYSA-N,2,1,0.333,69,898,447.527,5.347,6,0.362,0.73,1.0,0.05006510862860668,0.12804125830991708,0.46206565691179496,0.48034747447056403,0.2801298745802207
EOS-2-05842,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)nn1,DCQAZCPQMTYCAX-UHFFFAOYSA-N,2,1,0.318,38,270,447.527,5.347,6,0.362,0.74,1.0,0.08402439860187787,0.16519601123980535,0.4655609622369954,0.4714635734356795,0.29656123637858955
EOS-2-05843,Cc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)n1,SQPLDGDMTXFGFL-UHFFFAOYSA-N,2,1,0.324,32,126,447.527,5.347,6,0.362,0.73,1.0,0.10603282845589747,0.16128092659858817,0.46929614145706255,0.4557175656226441,0.2980818655335481
EOS-2-05844,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)nn1,RSSXSCCXWWQXHB-UHFFFAOYSA-N,2,1,0.362,93,651,447.527,5.347,6,0.362,0.69,1.0,0.17117572476183948,0.23976252484408198,0.389700842985402,0.46512404907134536,0.31644078541566717
EOS-2-05845,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccns6)cn5)n34)cc2)n1,RATPVPXIUZHIIL-UHFFFAOYSA-N,2,1,0.318,69,818,447.527,5.347,6,0.362,0.63,1.0,0.09612089644301282,0.11159276266191488,0.5613391816873415,0.5389281063669386,0.3269952367898019
EOS-2-05846,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)s1,QRIYPPSSJREENK-UHFFFAOYSA-N,2,1,0.368,93,651,447.527,5.347,6,0.362,0.74,1.0,0.09136625316976218,0.15746007813035434,0.41844287574532246,0.48035604139538074,0.28690631211020495
EOS-2-05847,COCc1nsc(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)n(C)n2)n1,WSUADQPUKWYQFF-UHFFFAOYSA-N,2,1,0.495,36,677,452.475,2.908,5,0.371,0.57,1.0,0.34928209170036323,0.49198135837159895,0.05966006442327462,0.07486635597285998,0.2439474676170242
EOS-2-05848,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(OC)cs5)n34)ccn2)cn1,DKJIHMAZHRQZSO-UHFFFAOYSA-N,2,1,0.495,92,329,447.524,3.761,5,0.358,0.72,1.0,0.2565194297854842,0.13475772736618463,0.2034044959221438,0.11210677815091495,0.1766971078061819
EOS-2-05849,COc1cc(-c2nnc3cncc(OCCc4cnc(C)s4)n23)ccc1-c1cncn1C,WFBDEFPQMMIKIK-UHFFFAOYSA-N,2,1,0.511,15,771,447.524,3.587,5,0.376,0.71,1.0,0.3970169967788363,0.16128949352340483,0.21043794119662806,0.11211534507573162,0.2202149441436502
EOS-2-05850,Fc1cccnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cn1,TXFTVMRHMADVLR-UHFFFAOYSA-N,2,1,0.356,32,20,452.478,4.573,6,0.387,0.75,1.0,0.23234356795284763,0.3978137207867864,0.4620742238366116,0.4986721266534165,0.3977259098074155
EOS-2-05851,Fc1cc(-c2cnncc2-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)ccn1,NWECKNSTVYTBDW-UHFFFAOYSA-N,2,1,0.338,42,57,452.478,4.573,6,0.362,0.68,1.0,0.24893770132273318,0.37895791926530054,0.6595932424097046,0.6640052086902886,0.4878735179220067
EOS-2-05852,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccs5)n34)nc2)n1,QDZPBCSQNFQOBV-UHFFFAOYSA-N,2,1,0.316,32,935,452.478,4.573,6,0.387,0.59,1.0,0.21054931121924475,0.3694657665684326,0.42944280720992395,0.4744277294222466,0.37097140360496195
EOS-2-05853,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccs5)nn4)n23)cc1,BPNSPGOBWLKNNT-UHFFFAOYSA-N,2,1,0.333,64,176,452.478,4.573,6,0.387,0.69,0.909,0.26480364608320195,0.38837296963881845,0.36703275992049894,0.4864556918648482,0.3766662668768419
EOS-2-05854,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccs6)cn5)n34)cc2)nn1,UHARWOPHNPCMJJ-UHFFFAOYSA-N,2,1,0.342,38,787,452.478,4.573,6,0.387,0.67,1.0,0.29722088958947296,0.43013672812007403,0.5143838667671853,0.5458073469947228,0.44688720786786373
EOS-2-05855,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)cn2)ccn1,ZRSGKGWVXKGCCP-UHFFFAOYSA-N,2,1,0.317,32,20,452.478,4.573,6,0.362,0.76,0.999,0.18831814131999178,0.3260057569734768,0.5381228154341717,0.5489599753272565,0.4003516722637242
EOS-2-05856,Fc1cc(-c2cncs2)ccc1-c1cncc2nnc(-c3ccc(-c4cncnc4)nc3)n12,UAVNWFVOLBSMPK-UHFFFAOYSA-N,2,1,0.312,42,171,452.478,4.573,6,0.387,0.69,0.895,0.2461363169076828,0.39782228771160305,0.697544719347543,0.7014769378383935,0.5107450654513056
EOS-2-05857,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ncc1-c1nncs1,DVJARTYRAVTVRV-UHFFFAOYSA-N,2,1,0.312,30,301,452.478,4.573,6,0.387,0.62,1.0,0.1685628126927558,0.31640223425399217,0.47579843739291344,0.5686639024055925,0.3823568466863135
EOS-2-05858,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)nc5)n34)cc2)cn1,NGOXIFNVQFBVBZ-UHFFFAOYSA-N,2,1,0.329,9,57,452.478,4.573,6,0.362,0.7,1.0,0.11380302926461518,0.2856983757110548,0.6510348845178535,0.6786803509012405,0.432304160098691
EOS-2-05859,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nnsn5)cn4)n23)ccc1-c1ccccc1,YANXLDTUGFWHPC-UHFFFAOYSA-N,2,1,0.364,93,74,452.478,4.573,6,0.387,0.67,1.0,0.19122232883284215,0.3061733260228908,0.5550681927215406,0.6553269138510041,0.4269476903570694
EOS-2-05860,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)s5)n34)cc2)nc1,YUINXBGJTGEQHH-UHFFFAOYSA-N,2,1,0.38,93,641,452.478,4.573,6,0.387,0.71,1.0,0.19375813857857582,0.3214224521965595,0.3225532862723597,0.40476149681310397,0.31062384346514976
EOS-2-05861,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nncs6)n5)n34)cc2)c1,DGAWIRPHMKDYSK-UHFFFAOYSA-N,2,1,0.4,3,594,452.478,4.573,6,0.387,0.72,1.0,0.2158008361318621,0.4392005345761086,0.5245356726749366,0.6352460420807347,0.4536957713659105
EOS-2-05862,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3cccc(-c4csnn4)c3)n12,QVYPICHBOTVWKW-UHFFFAOYSA-N,2,1,0.338,9,923,452.478,4.573,6,0.387,0.67,1.0,0.14089164553491879,0.3164108011788089,0.5905352614625454,0.6322733191693509,0.42002775683640603
EOS-2-05863,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cs2)nc1,PZADJEJIHHMDBK-UHFFFAOYSA-N,2,1,0.37,38,126,452.478,4.573,6,0.387,0.68,1.0,0.23537625933794806,0.3978308546364197,0.4147248303748886,0.45572613254746075,0.3759145192241793
EOS-2-05864,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cc2)cn1,CLGJHGMNHJUPDB-UHFFFAOYSA-N,2,1,0.371,9,894,452.478,4.573,6,0.387,0.73,1.0,0.09137482009457885,0.254797477897334,0.6423480227537524,0.6581454321156878,0.4116664382153382
EOS-2-05865,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)s2)n1,AXQPCRDKGUTECP-UHFFFAOYSA-N,2,1,0.291,76,368,452.478,4.573,6,0.362,0.66,0.999,0.19123089575765884,0.2910698375711055,0.472611541361113,0.5023987389486669,0.3643277534096361
EOS-2-05866,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)nc1,JARDUIUTBNNOHE-UHFFFAOYSA-N,2,1,0.356,9,867,452.478,4.573,6,0.387,0.71,1.0,0.14951853882530328,0.23410835446508121,0.5809146048934275,0.6086543074497979,0.39329895140840243
EOS-2-05867,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)s2)nn1,BZOQRYNCMWAGHB-UHFFFAOYSA-N,2,1,0.338,30,945,452.478,4.573,6,0.387,0.69,0.546,0.14952710575011993,0.29107840449592215,0.37093927763689943,0.4590158316770612,0.3176401548900007
EOS-2-05868,Fc1ccccc1-c1ncccc1-c1nnc2cncc(-c3ncc(-c4cccnn4)s3)n12,VXUAGHVWWNEYSE-UHFFFAOYSA-N,2,1,0.337,32,371,452.478,4.573,6,0.387,0.62,0.77,0.11086457405249811,0.2961757247618395,0.3670413268453156,0.477434720032897,0.31287908642313755
EOS-2-05869,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cn2)nc1,DKBCRKXDYBPIDR-UHFFFAOYSA-N,2,1,0.316,32,339,452.478,4.573,6,0.387,0.72,1.0,0.12742443972311698,0.26491501610581863,0.5970461243232129,0.6381502295935851,0.4068839524364334
EOS-2-05870,Fc1cnc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1-c1cncs1,UCPRNNYBXUOIRU-UHFFFAOYSA-N,2,1,0.329,42,608,452.478,4.573,6,0.387,0.62,1.0,0.28616098965115483,0.3883815365636351,0.5748492221232266,0.5813343842094442,0.4576815331368652
EOS-2-05871,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cc1,RTPLURZOUACMDI-UHFFFAOYSA-N,2,1,0.338,64,885,452.478,4.573,6,0.387,0.78,1.0,0.12743300664793367,0.23411692138989787,0.5001199369474334,0.6086628743746145,0.3675831848399699
EOS-2-05872,Fc1cc(-c2nncs2)cnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,LHNWSYMMBLIBRR-UHFFFAOYSA-N,2,1,0.316,38,787,452.478,4.573,6,0.387,0.73,1.0,0.2021280241244603,0.3549276951545473,0.4829689534644644,0.5458159139195394,0.3964601466657528
EOS-2-05873,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)s1,PVYKVIKVKMLQLR-UHFFFAOYSA-N,2,1,0.289,30,543,452.478,4.573,6,0.362,0.58,0.995,0.12744157357275032,0.20905009937632787,0.37094784456171614,0.48358577205126446,0.2977563223905147
EOS-2-05874,Fc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)c2)cn1,GSWSNUXJZIAWDQ-UHFFFAOYSA-N,2,1,0.338,86,191,452.478,4.573,6,0.387,0.6,1.0,0.25168768418888354,0.4255876910424234,0.5681927215406758,0.5813429511342608,0.4567027619765609
EOS-2-05875,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)cc2)cn1,YIRCTQVVLNWOAK-UHFFFAOYSA-N,2,1,0.32,69,479,452.481,4.849,6,0.376,0.75,1.0,0.1937667055033925,0.28570694263587143,0.764906449181002,0.7522616681516003,0.4991604413679666
EOS-2-05876,N#Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)c1,CNNWSJJESUGFPF-UHFFFAOYSA-N,2,1,0.338,69,645,452.481,4.849,6,0.376,0.8,1.0,0.17118429168665616,0.24975155918031663,0.8739034336234666,0.8703481598245494,0.5412968610787472
EOS-2-05877,N#Cc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,NBPSZJLMUIUBJE-UHFFFAOYSA-N,2,1,0.316,69,57,452.481,4.849,6,0.376,0.69,1.0,0.1660098690973888,0.26492358303063535,0.7179939688849291,0.7014855047632101,0.4626032314440408
EOS-2-05878,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)cc1,GCWRXFAIRYJCBE-UHFFFAOYSA-N,2,1,0.413,69,645,452.481,4.849,6,0.376,0.78,1.0,0.20779932835309436,0.31641936810362553,0.8551333013501473,0.8537797272291139,0.5582829312589952
EOS-2-05879,CCn1cc(-c2nnc(-c3cncc4nnc(-c5c(-c6ccccc6)ncn5C)n34)o2)c(C)n1,FJMJKVWTLUJHIG-UHFFFAOYSA-N,2,1,0.262,98,880,452.482,3.434,6,0.39,0.58,0.339,0.04694674799533959,0.020166541018436023,0.01641422794873552,0.017733534370502364,0.025315262833253374
EOS-2-05880,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2C)nn1,LENQBOSMKATHDS-UHFFFAOYSA-N,2,1,0.41,71,763,452.482,2.894,6,0.413,0.56,0.999,0.32257898704680965,0.3305890617503941,0.2636214104585018,0.20275340963607702,0.27988571722294564
EOS-2-05881,Cc1cn(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)cn1,BRCIIXGRHHNKPP-UHFFFAOYSA-N,2,1,0.307,38,42,447.506,3.963,6,0.406,0.69,1.0,0.09840826536906312,0.07926975532862723,0.28962202727708863,0.23493077924748132,0.17555770680556507
EOS-2-05882,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4c(-c5ccccc5)ncn4C)n23)nc1,VJEBSQQVCXSHLJ-UHFFFAOYSA-N,2,1,0.263,30,945,447.506,3.963,6,0.406,0.68,0.997,0.017545062024535672,0.01267048180385169,0.19985778904804333,0.19686793228702626,0.10673531629086425
EOS-2-05883,Cc1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)cn5)n34)cc2)cnn1C,ORZDTBRHUWRCCC-UHFFFAOYSA-N,2,1,0.293,38,725,447.506,3.963,6,0.406,0.66,1.0,0.06037111918305805,0.045815913919539444,0.39716263450071965,0.310062709889658,0.20335309437324378
EOS-2-05884,CCn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(C)nc6)cc5)n34)cn2)cn1,SKMOKGKAVOIGDB-UHFFFAOYSA-N,2,1,0.297,42,150,447.506,4.231,6,0.393,0.78,1.0,0.014041189774518539,0.03248577890480433,0.4147333972997053,0.35407100267288055,0.2038328421629772
EOS-2-05885,Cc1c(-c2nnc3cncc(-c4cccc(-c5cn(C)nn5)c4)n23)c(-c2ccccc2)nn1C,PFTBGECUFCXHNE-UHFFFAOYSA-N,2,1,0.316,25,764,447.506,3.963,6,0.406,0.66,1.0,0.01251627715715167,0.026848742375436913,0.15726303885957096,0.19421218559385922,0.0977100609965047
EOS-2-05886,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5c(-c6ccccc6)ncn5C)n34)c2)n1C,LZSRCMNDNNBJEI-UHFFFAOYSA-N,2,1,0.303,30,791,447.506,3.963,6,0.406,0.74,1.0,0.02916181207593722,0.02017510794325269,0.10505619902679735,0.14353025837845246,0.07448084435610992
EOS-2-05887,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n(C)n2)n(C)n1,QKDKRICWTVESQO-UHFFFAOYSA-N,2,1,0.357,93,774,447.506,3.963,6,0.406,0.75,1.0,0.06219587416900829,0.06486018778699199,0.13289870468096773,0.18337502570077446,0.11083244808443563
EOS-2-05888,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccccc6)ncn5C)n34)nc2)n1C,UEOCUMWIUHLLRP-UHFFFAOYSA-N,2,1,0.266,76,945,447.506,3.963,6,0.406,0.64,0.94,0.06037968610787472,0.024689877321636626,0.17664142279487355,0.1776694537728737,0.10984510999931464
EOS-2-05889,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc(C)n6C)c5)n34)cc2)n[nH]1,JIDFWSULBOADNV-UHFFFAOYSA-N,2,1,0.325,9,598,447.506,4.261,6,0.433,0.68,1.0,0.10088410664108012,0.08270509218011103,0.2636299773833185,0.25849838941813447,0.17642939140566105
EOS-2-05890,Cc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,XPRNOHLONRJQBS-UHFFFAOYSA-N,2,1,0.321,67,642,447.506,3.963,6,0.406,0.68,1.0,0.14090021245973544,0.035475635665821396,0.35960523610444795,0.31007127681447466,0.21151309026111986
EOS-2-05891,Cn1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)c(-c2ccccc2)n1,YAPMSSPBPYYKFG-UHFFFAOYSA-N,2,1,0.483,77,603,447.502,4.562,6,0.374,0.71,1.0,0.28897950791583854,0.13476629429100132,0.5550767596463574,0.5389366732917552,0.3794398087862381
EOS-2-05892,c1ccn(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)c1,IVGFSPMLMNYQRZ-UHFFFAOYSA-N,2,1,0.566,77,603,447.502,4.594,6,0.387,0.64,1.0,0.7357874717291482,0.5858063189637448,0.6922503598108423,0.6469056267562195,0.6651874443149888
EOS-2-05893,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc6ccccc6c5)n34)cn2)n1,LKHGHTRFULXYKS-UHFFFAOYSA-N,2,1,0.575,28,891,447.502,4.362,6,0.377,0.72,1.0,0.6629000753889384,0.487517990542115,0.5312093071071208,0.5159687478582689,0.5493990302241107
EOS-2-05894,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cc5)n34)cc2)o1,XJNNGOWMTSTKFB-UHFFFAOYSA-N,2,1,0.324,9,98,447.502,5.131,6,0.372,0.68,1.0,0.20492940853951067,0.09855390309094647,0.555085326571174,0.44939517510794325,0.3269909533273936
EOS-2-05895,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cccs4)cc3)n12,PALKGRDYBIGPQH-UHFFFAOYSA-N,2,1,0.35,69,152,452.499,5.245,6,0.353,0.7,1.0,0.37918922623535056,0.21898773216366252,0.629900280995134,0.5589661435131246,0.4467608457268179
EOS-2-05896,COc1cc(-c2cncs2)ccc1-c1cncc2nnc(-c3ccc(-c4ncco4)cc3)n12,CCVPLAOJPIGJGR-UHFFFAOYSA-N,2,1,0.359,69,30,452.499,5.245,6,0.353,0.71,1.0,0.3303920224796107,0.18632204783770817,0.6454064149133028,0.5389452402165719,0.4252664313617984
EOS-2-05897,COc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)o1,QFHFFHGXZSGNIO-UHFFFAOYSA-N,2,1,0.352,93,651,452.499,5.245,6,0.353,0.71,0.982,0.5358525803577547,0.434908505242958,0.36704989377013225,0.380080186416284,0.42947279144678224
EOS-2-05898,COc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)s2)cc1,ZXHGRXIACLHIRK-UHFFFAOYSA-N,2,1,0.421,69,479,452.499,5.245,6,0.353,0.65,1.0,0.3352666027002947,0.2803183469261874,0.5211174696730861,0.44300424919470904,0.3949266671235693
EOS-2-05899,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccs6)no5)n34)cc2)cc1,XRZZXEQNFPFZAI-UHFFFAOYSA-N,2,1,0.512,12,285,452.499,5.149,6,0.345,0.81,1.0,0.45158830786101023,0.533188266739771,0.33376739085737783,0.3926478651223357,0.42779795764512374
EOS-2-05900,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cscn6)o5)n34)cc2)cc1,IMAAYBGJKBWOSI-UHFFFAOYSA-N,2,1,0.548,12,285,452.499,5.149,6,0.345,0.69,1.0,0.47018710163799604,0.542346309368789,0.48297752038928105,0.48646425878966487,0.4954937975464327
EOS-2-05901,c1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cn5)n34)cn2)c1,QRUZXZOHYURKLF-UHFFFAOYSA-N,2,1,0.538,28,297,452.499,5.149,6,0.345,0.7,1.0,0.43063360975944076,0.3929134397916524,0.5716537591666095,0.5190871084915358,0.4785719793023096
EOS-2-05902,c1coc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6ccsc6)c5)n34)cc2)c1,DVMZBDZZDWUWCG-UHFFFAOYSA-N,2,1,0.477,40,2,452.499,5.149,6,0.345,0.51,1.0,0.6075063395243643,0.4479901994380097,0.6214018915769995,0.5873312315811117,0.5660574155301212
EOS-2-05903,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)cn2)o1,PBZYSXVBWNMCBZ-UHFFFAOYSA-N,2,1,0.57,41,78,452.499,5.149,6,0.345,0.67,1.0,0.6387070797066685,0.4434497292851758,0.656826125693921,0.5964378726612295,0.5838552018367487
EOS-2-05904,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)s2)cc1,TZGNBFCNZYZPCU-UHFFFAOYSA-N,2,1,0.57,12,285,452.499,5.149,6,0.345,0.63,1.0,0.48278904804331435,0.4919899252964156,0.48298608731409776,0.4714721403604962,0.482309300253581
EOS-2-05905,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cc5)n34)cc2)o1,UTQPBAHYUYCPDH-UHFFFAOYSA-N,2,1,0.544,41,427,452.499,5.149,6,0.345,0.68,1.0,0.6326759646357344,0.5195154547323693,0.6948033034062093,0.6290692892879172,0.6190160030155575
EOS-2-05906,c1ccc(-c2nscc2COc2cncc3nnc(-c4ccc(-c5ccoc5)cn4)n23)cc1,UJCBLTDRGOJRGK-UHFFFAOYSA-N,2,1,0.448,28,363,452.499,5.149,6,0.345,0.6,1.0,0.3791977931601672,0.28032691385100406,0.4620827907614283,0.47744328695771365,0.3997626961825783
EOS-2-05907,CCc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccn2)s1,CHMXSEJOWQMXMK-UHFFFAOYSA-N,2,1,0.505,75,496,447.499,4.028,5,0.372,0.59,1.0,0.5903039544924954,0.5858148858885615,0.25645089438695085,0.24938318141319993,0.4204882290453019
EOS-2-05908,CCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)s1,XEBYWBHVXWLUTA-UHFFFAOYSA-N,2,1,0.545,75,496,447.499,4.028,5,0.372,0.62,1.0,0.5539887601946405,0.5858234528133781,0.28247721197998765,0.2645723391131519,0.4217154410252896
EOS-2-05909,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)cc2)n[nH]1,MVQBUQZDBNMBPL-UHFFFAOYSA-N,2,1,0.452,81,763,452.503,4.279,6,0.402,0.65,1.0,0.49265814543211567,0.4566684942772942,0.4110239188540881,0.3897950791583853,0.43753640943047084
EOS-2-05910,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cs2)cc1,CZZHBXGLGORYCQ-UHFFFAOYSA-N,2,1,0.489,12,285,452.503,4.279,6,0.402,0.66,1.0,0.49759269412651636,0.4698701254197793,0.29322870262490575,0.2794102528956206,0.3850254437667055
EOS-2-05911,Cn1cnc(-c2ncc(-c3cncc4nnc(-c5cccnc5Oc5ccccc5)n34)s2)c1,JJXUFERWAWQMSA-UHFFFAOYSA-N,2,1,0.362,30,945,452.503,4.503,6,0.38,0.62,1.0,0.21317079021314508,0.12450311836063327,0.19629394832430952,0.19687649921184291,0.1827110890274827
EOS-2-05912,c1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccsc6)cn5)n34)cc2)n[nH]1,JLZOFAPUDGCNCB-UHFFFAOYSA-N,2,1,0.422,40,518,452.503,4.279,6,0.402,0.65,1.0,0.5758429854019601,0.4875265574669317,0.4184514426701391,0.38980364608320195,0.46790615790555823
EOS-2-05913,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)nc5)n34)cc2)n[nH]1,PJHOKCBZUOTHOY-UHFFFAOYSA-N,2,1,0.523,28,763,452.503,4.279,6,0.402,0.64,1.0,0.6659756013981222,0.49199849222123226,0.4726201082859297,0.41471626345007195,0.5113276163388389
EOS-2-05914,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cs2)nc1,WXXTWZQVGQPQPU-UHFFFAOYSA-N,2,1,0.516,81,763,452.503,4.279,6,0.402,0.72,1.0,0.4654581591391954,0.47877116030429717,0.28604961962853814,0.2704064149133027,0.37517133849633333
EOS-2-05915,c1c[nH]c(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncs6)cn5)n34)cc2)n1,LGLIJITYOVHUQY-UHFFFAOYSA-N,2,1,0.535,40,592,452.503,4.279,6,0.402,0.65,1.0,0.4701956685628127,0.46115756288122817,0.4655695291618121,0.40186587622507025,0.4496971592077308
EOS-2-05916,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)c1,MLHLGASUXGEKLC-UHFFFAOYSA-N,2,1,0.54,40,932,452.503,4.075,6,0.376,0.61,1.0,0.2889880748406552,0.264932149955452,0.4223408265369063,0.3639829346857652,0.3350609965046947
EOS-2-05917,c1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc(-c2nccs2)c1,DAXZYWHDLMCSQO-UHFFFAOYSA-N,2,1,0.5,81,763,452.503,4.279,6,0.402,0.59,1.0,0.48279761496813106,0.48753512439174834,0.3337759577821945,0.3003478171475567,0.40111412857240764
EOS-2-05918,COc1nc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccsc4)cc3)n12,QVTLGRNYOWWWOB-UHFFFAOYSA-N,2,1,0.311,42,7,452.503,4.376,6,0.414,0.63,1.0,0.3492906586251799,0.2294308135151806,0.3522462476869303,0.32213350695634296,0.3132753066959084
EOS-2-05919,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)cn2)n1,UUTGGNUEDWBUCV-UHFFFAOYSA-N,2,1,0.307,38,532,452.503,4.644,6,0.38,0.69,1.0,0.20493797546432732,0.2042269207045439,0.2137790418751285,0.1887636214104585,0.20292688986361457
EOS-2-05920,Cc1cccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5noc(C)n5)cn4)n23)c1,RPGFOVDQCSMFSN-UHFFFAOYSA-N,2,1,0.315,32,321,452.503,4.644,6,0.38,0.7,1.0,0.15767425125077103,0.14979268041943664,0.1359399629908848,0.15109485299157013,0.14862543691316565
EOS-2-05921,Cc1cnc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)cs2)cn1,ULULKNJQLXERPV-UHFFFAOYSA-N,2,1,0.306,38,303,452.503,4.644,6,0.38,0.59,1.0,0.14383866767185252,0.23977109176889863,0.21378760879994518,0.18063360975944076,0.19450774450003427
EOS-2-05922,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)cn2)c1,UQOLFSBDCPHHOT-UHFFFAOYSA-N,2,1,0.429,6,119,452.503,4.075,6,0.376,0.73,1.0,0.25169625111370025,0.1421681173326023,0.3748372284284833,0.33815365636351175,0.2767138133095744
EOS-2-05923,c1csc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)c2)n1,ATQQRMHWVVHDDS-UHFFFAOYSA-N,2,1,0.462,40,763,452.503,4.279,6,0.402,0.72,1.0,0.604782057432664,0.48279761496813106,0.4585874854362278,0.40819683366458775,0.48859099787540267
EOS-2-05924,c1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)cc1,QZQPSLXGXPHLHD-UHFFFAOYSA-N,2,1,0.45,77,807,452.503,4.075,6,0.376,0.72,1.0,0.3128383935302584,0.27542663285587005,0.2208296209992461,0.22920807346994723,0.25957568021383043
EOS-2-05925,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6ccsc6)n5)n34)cc2)nc1,RPGARMYNAFGJIX-UHFFFAOYSA-N,2,1,0.442,40,59,452.503,4.075,6,0.376,0.67,1.0,0.32258755397162636,0.30105887190734015,0.2708347611541361,0.2763261599616202,0.2927018367486807
EOS-2-05926,c1ccc(-c2nscc2COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,HQTAONFTTNHVPS-UHFFFAOYSA-N,2,1,0.477,12,611,452.503,4.279,6,0.402,0.56,1.0,0.5648002193132753,0.4566770612021109,0.3407151668836954,0.34128915084641215,0.42587039956137346
EOS-2-05927,c1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cc2)cn1,RMRGHTQHTYFFJU-UHFFFAOYSA-N,2,1,0.494,77,933,452.503,4.075,6,0.376,0.74,1.0,0.3814594613117675,0.24484271126036597,0.5550938934959907,0.49569940374203275,0.41927386745253925
EOS-2-05928,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)nc2)no1,FKEUYTZMXGPTMF-UHFFFAOYSA-N,2,1,0.318,38,532,452.503,4.644,6,0.38,0.74,1.0,0.19377527242820916,0.19506031115070935,0.20341306284696045,0.18064217668425742,0.1932227057775341
EOS-2-05929,COc1ccc(F)cc1-c1ccncc1-c1nnc2cncc(OCCc3ccsc3)n12,MLUWCYQLNAGJAJ-UHFFFAOYSA-N,2,1,0.523,35,234,447.495,4.684,5,0.361,0.69,1.0,0.7238451785347132,0.666986498526489,0.7285741210335138,0.6553354807758207,0.6936853197176343
EOS-2-05930,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(O)c5)n34)c2)cs1,HSXPOQWRMUQUMS-UHFFFAOYSA-N,2,1,0.591,91,660,447.495,4.689,5,0.407,0.73,1.0,0.8025752175998904,0.7566907682818176,0.70014906449181,0.6262850387225002,0.7214250222740045
EOS-2-05931,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1nccs1,MCGSYVVZMWXPMP-UHFFFAOYSA-N,2,1,0.691,91,955,447.495,4.684,5,0.361,0.79,1.0,0.9152131450894387,0.8263741347405935,0.6813360975944075,0.5903810568158454,0.7533261085600713
EOS-2-05932,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cnn(C)c6)cn5)n34)cc2)s1,WFGNXINPLAWNAD-UHFFFAOYSA-N,2,1,0.304,98,424,452.507,3.476,6,0.4,0.7,1.0,0.03289699129600439,0.06074806387499143,0.12436604756356658,0.10965663765334796,0.08191693509697759
EOS-2-05933,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cn(C)nn6)c5)n34)nc2)cs1,PJOWPENBQHVPOC-UHFFFAOYSA-N,2,1,0.253,70,813,452.507,3.476,6,0.4,0.67,0.992,0.013381536563635117,0.02240250839558632,0.16383387019395518,0.14616887122198616,0.0864466965937907
EOS-2-05934,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)nn5)n34)cc2)s1,MTGWKGRNRKJGBA-UHFFFAOYSA-N,2,1,0.316,98,63,452.507,3.476,6,0.4,0.62,1.0,0.04559317387430608,0.09552121170584607,0.09481015694606264,0.09296826811047906,0.08222320265917346
EOS-2-05935,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cn2)n(C)n1,VOBHSRKYGNMHNO-UHFFFAOYSA-N,2,1,0.282,98,727,452.507,3.476,6,0.4,0.6,1.0,0.04414536358028922,0.04220067164690563,0.0879823178671784,0.10321431019121376,0.06938566582139676
EOS-2-05936,Cc1csc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n(C)n2)n1,HJJSBBZFHKEXKQ-UHFFFAOYSA-N,2,1,0.31,76,272,452.507,3.476,6,0.4,0.65,0.827,0.03670070591460489,0.09552977863066274,0.01805907751353574,0.021751422109519566,0.043010246042080744
EOS-2-05937,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)s1,PBUGGWROYYDHOR-UHFFFAOYSA-N,2,1,0.32,25,791,452.507,3.476,6,0.4,0.72,1.0,0.04695531492015626,0.0792783222534439,0.08799088479199507,0.11212391200054829,0.08158710849153589
EOS-2-05938,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)nn2)c1,LNXQAXNMNXHRSD-UHFFFAOYSA-N,2,1,0.31,76,37,447.487,4.034,6,0.401,0.7,1.0,0.0032554314303337674,0.005337194160784045,0.3971712014255363,0.465132615996162,0.21772411075320403
EOS-2-05939,COCc1ccnc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ncn2)n1,RAJJPRHFMJXCIT-UHFFFAOYSA-N,2,1,0.384,31,238,447.484,2.529,5,0.367,0.6,0.936,0.2807638270166541,0.12451168528544994,0.027885340278253717,0.01372421355630183,0.11172126653416489
EOS-2-05940,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)c(F)c5)n34)cc2)n[nH]1,BSEYOHPTVVHLRW-UHFFFAOYSA-N,2,1,0.321,69,38,452.518,6.024,6,0.355,0.71,1.0,0.30233534370502363,0.39783942156123636,0.8684377355904325,0.8670241929956822,0.6089091734630937
EOS-2-05941,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)s4)n23)c1-c1cccc(F)c1,NXRKTRJHKIOXPE-UHFFFAOYSA-N,2,1,0.341,30,625,452.518,5.726,6,0.343,0.81,1.0,0.058554931121924475,0.21395038037146186,0.6785604139538072,0.7599976012610513,0.42776583167706117
EOS-2-05942,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(-c6ccccc6)s5)n34)cc2)n[nH]1,IPCNKIJCFPYUFD-UHFFFAOYSA-N,2,1,0.346,93,220,452.518,6.024,6,0.355,0.64,1.0,0.2946079775203893,0.3836954286889178,0.7577445000342677,0.7748183811938867,0.5527165718593654
EOS-2-05943,Cn1c(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)c(O)c4)n23)csc1=O,UUOOWOZKZBLIKH-UHFFFAOYSA-N,2,1,0.463,15,771,447.48,2.336,5,0.421,0.62,0.999,0.43741861421424166,0.3164279350284422,0.11884894798163251,0.10102974436296347,0.24343131039681992
EOS-2-05944,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)n4)n23)c1,BMVHYVYZBLVVKH-UHFFFAOYSA-N,2,1,0.457,49,501,447.48,3.301,5,0.371,0.64,0.999,0.2540178877390172,0.18633061476252485,0.20342162977177713,0.09108354465081214,0.18371341923103282
EOS-2-05945,COc1ccc(-c2cc(CO)nc(-c3nnc4cncc(OCc5cncs5)n34)c2)cn1,SICLSXAFTJSWEH-UHFFFAOYSA-N,2,1,0.396,46,160,447.48,2.785,5,0.401,0.68,1.0,0.3277876773353437,0.22943938043999726,0.2787077650606538,0.1617007059146049,0.24940888218764995
EOS-2-05946,COc1ccnc(-c2nc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)ns2)c1,YIGKTVNHJLNOBE-UHFFFAOYSA-N,2,1,0.5,89,731,447.48,2.785,5,0.401,0.72,1.0,0.5308323624151875,0.43491707216777464,0.18302378178329107,0.12990884791995067,0.31967051607155095
EOS-2-05947,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)sc1-c1csnn1,FWILCELPLACHDH-UHFFFAOYSA-N,2,1,0.316,38,787,447.48,4.832,6,0.382,0.69,1.0,0.21869645671989582,0.31643650195325884,0.43333219107669113,0.49868069357823314,0.3667864608320197
EOS-2-05948,CCc1nc(-c2nnc3cncc(OCCc4ccc(C)cn4)n23)ccc1-c1cncc(C)n1,JJDHSTVTIHBYGL-UHFFFAOYSA-N,2,1,0.433,31,690,452.522,3.839,5,0.367,0.54,0.813,0.4235744637105065,0.2189962990884792,0.10750633952436434,0.06731032828455898,0.20434685765197727
EOS-2-05949,CCn1cc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C)n5)c(F)n4)n23)c(C)n1,KSCSOAOHFGFSHG-UHFFFAOYSA-N,2,1,0.41,31,460,447.478,2.872,5,0.354,0.66,1.0,0.22970495510931396,0.1863391816873415,0.08064903022411075,0.05637893221849085,0.13826802480981426
EOS-2-05950,CCc1nc(C)c(C)nc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccn1,GNIQRKQWQMDTJJ-UHFFFAOYSA-N,2,1,0.568,75,359,452.522,3.839,5,0.367,0.63,1.0,0.40993591940237134,0.19047700637379206,0.06557980947159207,0.048377424439723114,0.17859253992186966
EOS-2-05951,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)c1-c1ccccc1,KEHAHIQYNVEGPS-UHFFFAOYSA-N,2,1,0.355,69,625,447.477,5.06,6,0.378,0.74,1.0,0.17669282434377356,0.23977965869371531,0.7233397299705298,0.7574103899664176,0.4743056507436091
EOS-2-05952,Cc1ccccc1-c1ncccc1-c1nnc2cncc(-c3cnn(-c4ccc(F)cc4)c3)n12,ATMPSVOESQQFHY-UHFFFAOYSA-N,2,1,0.346,30,317,447.477,5.154,6,0.374,0.67,0.97,0.007675964635734357,0.1736258652594065,0.7362329518196148,0.7652148584744021,0.42068741004728943
EOS-2-05953,Cn1nc(-c2ccnc(F)c2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,WYSUFPYVZCXZMX-UHFFFAOYSA-N,2,1,0.373,93,651,447.477,5.06,6,0.353,0.77,1.0,0.14640017819203618,0.25480604482215063,0.755671304228634,0.7797957645123706,0.48416832293879786
EOS-2-05954,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)cc3)n12,WECJYIUQFYMUBZ-UHFFFAOYSA-N,2,1,0.408,93,107,447.477,5.06,6,0.378,0.86,1.0,0.13033719416078404,0.33059762867521075,0.5613477486121582,0.6756048248920568,0.4244718490850524
EOS-2-05955,Cn1nc(-c2cccc(F)c2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,HBUXCYJBBGKQDQ-UHFFFAOYSA-N,2,1,0.432,93,689,447.477,5.06,6,0.378,0.84,1.0,0.13034576108560073,0.3306061956000274,0.5580494825577411,0.6817044753615242,0.4251764786512234
EOS-2-05956,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cccc(F)c4-c4ccccc4)n23)nc1,FRGNYQMUJQSQQG-UHFFFAOYSA-N,2,1,0.342,30,651,447.477,5.06,6,0.378,0.73,1.0,0.2187050236447125,0.32143101912137617,0.6894061407717086,0.7258070043177302,0.4888372969638819
EOS-2-05957,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)nc1,MLDZGAOGPLUZNB-UHFFFAOYSA-N,2,1,0.368,93,74,447.477,5.06,6,0.378,0.73,1.0,0.16601843602220548,0.2910869714207388,0.8126756219587417,0.8173702967582757,0.5217878315399904
EOS-2-05958,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)c(F)c4)n23)nc1,DUYNHCSCYTWKLP-UHFFFAOYSA-N,2,1,0.354,93,651,447.477,5.06,6,0.378,0.75,1.0,0.19378383935302584,0.2548146117469673,0.7936313480912891,0.802352477554657,0.5111455691864848
EOS-2-05959,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)nc1,IZXDHUXBDVLWLU-UHFFFAOYSA-N,2,1,0.403,93,74,447.477,5.06,6,0.378,0.82,1.0,0.1912394626824755,0.354936262079364,0.8217308614899596,0.8232643410321431,0.5477927318209855
EOS-2-05960,Cn1cc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)c(-c2ccc(F)cc2)n1,LNKNQTFTRXMJNZ-UHFFFAOYSA-N,2,1,0.346,30,220,447.477,5.06,6,0.378,0.66,1.0,0.13035432801041738,0.2803354807758207,0.6510434514426702,0.7153724898910288,0.44427643752998425
EOS-2-05961,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)c2)nn1,JWAKECSSQOHFNO-UHFFFAOYSA-N,2,1,0.346,93,220,447.477,5.06,6,0.378,0.81,1.0,0.17670139126859022,0.254823178671784,0.7895963265026387,0.8232729079569597,0.5110984510999932
EOS-2-05962,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1-c1cncc(F)c1,FZHSOQLNDHARBE-UHFFFAOYSA-N,2,1,0.36,93,774,447.477,5.06,6,0.378,0.77,1.0,0.16032143101912139,0.28034404770063737,0.7556798711534508,0.7980090466726064,0.498588599136454
EOS-2-05963,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)cn2)n1,ADYFQLOZELFMRB-UHFFFAOYSA-N,2,1,0.405,93,74,447.477,5.06,6,0.378,0.79,1.0,0.18260400246727435,0.3789664861901172,0.8062761291206908,0.8131982043725584,0.5452612055376602
EOS-2-05964,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1-c1cccc(F)c1,XMDHIPMUGNAUTB-UHFFFAOYSA-N,2,1,0.37,69,625,447.477,5.06,6,0.378,0.81,1.0,0.09366218902062916,0.23978822561853197,0.7413474059351655,0.7748269481187033,0.46240619217325746
EOS-2-05965,Cc1nn(-c2ccccc2)cc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)cc3)n12,FCOLYIYBAHZQDO-UHFFFAOYSA-N,2,1,0.337,93,68,447.477,5.154,6,0.349,0.79,0.998,0.03401925844698787,0.17363443218422314,0.7413559728599822,0.752270235076417,0.4253199746419025
EOS-2-05966,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)c2)nn1,VOJBMYZXXZFESI-UHFFFAOYSA-N,2,1,0.38,93,107,447.477,5.06,6,0.378,0.87,1.0,0.13834726886436843,0.29618429168665616,0.8084349941744912,0.8392930573641286,0.5205649030224111
EOS-2-05967,Cc1nc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nn1-c1ccc(F)cc1,GASMRYPVOQJHFA-UHFFFAOYSA-N,2,1,0.368,93,689,447.477,5.154,6,0.374,0.77,1.0,0.031534850250154206,0.23412548831471455,0.5682012884654924,0.672657802755123,0.376629857446371
EOS-2-05968,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)nc2)cn1,NWIGHAGFBHALCP-UHFFFAOYSA-N,2,1,0.354,93,651,447.477,5.06,6,0.378,0.76,1.0,0.20213659104927695,0.2702008087177027,0.8292440545541773,0.8292697553286272,0.532712802412446
EOS-2-05969,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cc2)cn1,ODVAGBPFGJXGQF-UHFFFAOYSA-N,2,1,0.342,69,645,447.477,5.06,6,0.353,0.73,1.0,0.15227708861627032,0.25975772736618463,0.8739120005482832,0.8571208279076142,0.5357669111095881
EOS-2-05970,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1-c1ccc(F)cc1,YLAGRJMVDYMEFF-UHFFFAOYSA-N,2,1,0.377,69,625,447.477,5.06,6,0.378,0.76,1.0,0.13036289493523404,0.29109553834555546,0.7534696045507505,0.7818603933931876,0.4891971078061819
EOS-2-05971,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1-c1ccc(F)cc1,RJWKTOFMIVXODT-UHFFFAOYSA-N,2,1,0.321,30,737,447.477,5.06,6,0.378,0.77,1.0,0.10089267356589679,0.2341340552395312,0.7154067575902954,0.777208553217737,0.4569105099033651
EOS-2-05972,Cn1cc(-c2ccc(F)nc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,JMFYGZNQFAVHCF-UHFFFAOYSA-N,2,1,0.378,93,651,447.477,5.06,6,0.353,0.78,0.985,0.21317935713796177,0.34544410938249603,0.6922589267356589,0.7340655198409979,0.4962369782742787
EOS-2-05973,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cc4)n23)cn1,FOQNDWAUOPZPQW-UHFFFAOYSA-N,2,1,0.359,69,220,447.477,5.06,6,0.378,0.7,1.0,0.1937924062778425,0.31644506887807555,0.7462733877047495,0.77483551504352,0.5078365944760468
EOS-2-05974,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)cc2)n1,ONJLHVWFZXSHKM-UHFFFAOYSA-N,2,1,0.351,69,898,447.477,5.06,6,0.353,0.55,1.0,0.19380097320265918,0.27020937564251934,0.7959701185662394,0.7798043314371873,0.5099461997121514
EOS-2-05975,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)cc1,ZUFGFLTVUJDFEY-UHFFFAOYSA-N,2,1,0.338,69,645,447.477,5.06,6,0.353,0.75,1.0,0.24078198889726543,0.3164536358028922,0.8627321636625317,0.8487081077376465,0.5671689740250839
EOS-2-05976,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc1F,CXIGBGGYQNFMQC-UHFFFAOYSA-N,2,1,0.321,30,737,447.477,5.06,6,0.378,0.75,1.0,0.22701494071688028,0.2857155095606881,0.7362415187444314,0.760006168185868,0.5022445343019669
EOS-2-05977,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6F)c5)n34)cc2)cn1,ZHWMQORYQFLETK-UHFFFAOYSA-N,2,1,0.33,93,668,447.477,5.154,6,0.374,0.76,1.0,0.01755362894935234,0.23979679254334865,0.8217394284147762,0.815399904050442,0.4736224384894798
EOS-2-05978,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)nc1,DGWCYRPLUBGIKT-UHFFFAOYSA-N,2,1,0.397,93,74,447.477,5.06,6,0.378,0.8,1.0,0.2861695565759715,0.4301452950448907,0.7740216571859365,0.7889195394421219,0.5698140120622301
EOS-2-05979,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccc5F)c4)n23)cc1,GETNBIJAHIXLFP-UHFFFAOYSA-N,2,1,0.368,93,538,447.477,5.06,6,0.378,0.72,1.0,0.25652799671030085,0.3598451099993146,0.7788876704818039,0.8154084709752587,0.5526673120416694
EOS-2-05980,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,DEQIUKXNDKDHKX-UHFFFAOYSA-N,2,1,0.37,93,107,447.477,5.06,6,0.378,0.78,1.0,0.29461654444520596,0.38370399561373447,0.7696011239805359,0.8109279692961414,0.5647124083339045
EOS-2-05981,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)cc4)n23)cc1,XAGXTUHHMXMIKZ-UHFFFAOYSA-N,2,1,0.321,69,867,447.477,5.06,6,0.378,0.71,1.0,0.32520903296552667,0.3260143238982935,0.8145689123432253,0.8109365362209581,0.5691822013570009
EOS-2-05982,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c(F)c2)nn1,GVRQGGMLPKWKFF-UHFFFAOYSA-N,2,1,0.365,93,107,447.477,5.06,6,0.378,0.83,1.0,0.2105578781440614,0.31646220272770886,0.8023953121787403,0.8292783222534439,0.5396734288259886
EOS-2-05983,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cc5)n34)cc2)n1,RRYSNCQKJBXESH-UHFFFAOYSA-N,2,1,0.351,69,898,447.477,5.06,6,0.378,0.68,1.0,0.1767099581934069,0.27021794256733606,0.8164108011788088,0.8065845384140908,0.5174808100884107
EOS-2-05984,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)cn1,XGLHLFIGIGNDBG-UHFFFAOYSA-N,2,1,0.354,93,987,447.477,5.06,6,0.378,0.77,0.999,0.2673137550544856,0.3501473511068467,0.7259526420396134,0.7522788020012336,0.5239231375505449
EOS-2-05985,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4F)n23)cc1,CXKPTKJIJQALMO-UHFFFAOYSA-N,2,1,0.338,69,484,447.477,5.06,6,0.378,0.82,1.0,0.28077239394147074,0.3549448290041807,0.7649150161058187,0.762584812555685,0.5408042629017887
EOS-2-05986,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1F,DEDREJWYMSQKSN-UHFFFAOYSA-N,2,1,0.333,69,484,447.477,5.06,6,0.378,0.66,1.0,0.30504249194709065,0.37897505311493385,0.7696096909053526,0.7652234253992187,0.554712665341649
EOS-2-05987,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c(F)c2)n[nH]1,SLKBSEIALYLJEE-UHFFFAOYSA-N,2,1,0.36,93,107,447.477,5.358,6,0.393,0.78,1.0,0.32018881502295937,0.37898362003975056,0.762507710232335,0.7889281063669386,0.5626520629154959
EOS-2-05988,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)nc1,BRQNYJYLQQFBCI-UHFFFAOYSA-N,2,1,0.359,93,651,447.477,5.06,6,0.378,0.75,1.0,0.26732232197930234,0.3789921869645672,0.7285826879583305,0.7547289424988006,0.5324065348502502
EOS-2-05989,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4ccc(F)cc4)nc3)n12,JPUPIAYTQDGWRB-UHFFFAOYSA-N,2,1,0.305,30,220,447.477,5.06,6,0.378,0.82,0.778,0.10604139538071414,0.21395894729627854,0.6393324652182852,0.7153810568158454,0.4186784661777808
EOS-2-05990,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)c4)n23)cc1,BJTWZNLGYFXGGT-UHFFFAOYSA-N,2,1,0.311,3,668,447.477,5.154,6,0.374,0.73,1.0,0.014049756699335206,0.21900486601329586,0.7788962374066205,0.7818689603180042,0.44845495510931394
EOS-2-05991,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1-c1ccc(F)cc1,KQTKQCHGDQSRHN-UHFFFAOYSA-N,2,1,0.359,30,625,447.477,5.06,6,0.378,0.8,1.0,0.127450140497567,0.3010674388321568,0.7209581248714961,0.7701665410184361,0.47991056130491394
EOS-2-05992,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)cc1,ATWHTQBQDAUKFS-UHFFFAOYSA-N,2,1,0.4,93,538,447.477,5.06,6,0.378,0.78,1.0,0.25653656363511756,0.39292200671646904,0.7896048934274553,0.8232814748817764,0.5655862346652045
EOS-2-05993,Cc1cccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4F)n23)c1,NKGOEMFTNYBCCC-UHFFFAOYSA-N,2,1,0.323,21,107,447.473,6.228,6,0.321,0.79,1.0,0.3101569460626414,0.3837125625385512,0.8440305667877459,0.8718645055170996,0.6024411452265095
EOS-2-05994,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cc5F)n34)cc2)cc1,ANQGBVKZOSROTJ-UHFFFAOYSA-N,2,1,0.333,21,107,447.473,6.228,6,0.321,0.83,1.0,0.3492992255499966,0.4255962579672401,0.927403879103557,0.9240713453498732,0.6565926769926668
EOS-2-05995,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6F)cc5)n34)cc2)o1,ZGYCOLMMGRLSGV-UHFFFAOYSA-N,2,1,0.378,21,538,447.473,6.228,6,0.321,0.72,1.0,0.3838582002604345,0.5378743746144884,0.9070917003632376,0.9018658762250702,0.6826725378658076
EOS-2-05996,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)cc2)cn1,ZINIKYBLLFEISZ-UHFFFAOYSA-N,2,1,0.297,98,725,447.466,2.809,6,0.401,0.64,1.0,0.06390069220752519,0.06844972928517579,0.11885751490644918,0.11453121787403193,0.09143478856829552
EOS-2-05997,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)nn1,NXASBUMDEVPISJ-UHFFFAOYSA-N,2,1,0.347,25,508,447.466,2.809,6,0.401,0.76,1.0,0.09367075594544583,0.0422092385717223,0.12437461448838324,0.14353882530326914,0.10094835857720513
EOS-2-05998,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)n(C)n5)n34)nc2)n1,WLRYHDGZMCBFHR-UHFFFAOYSA-N,2,1,0.262,86,165,447.466,2.809,6,0.401,0.62,0.978,0.023481940922486465,0.012679048728668357,0.16056987183880475,0.13882701665410185,0.08388946953601537
EOS-2-05999,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)nn5)n34)nc2)nn1,UEGYAAAADSCLIC-UHFFFAOYSA-N,2,1,0.259,70,813,447.466,2.809,6,0.401,0.63,1.0,0.02235967377150298,0.013989788225618532,0.15727160578438765,0.13223048454526762,0.08146288808169419
EOS-2-06000,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)nc5)n34)cc2)nn1,HDUIVGURYJGRPY-UHFFFAOYSA-N,2,1,0.278,98,424,447.466,2.809,6,0.401,0.64,1.0,0.03670927283942156,0.03843979165238846,0.12187307244191625,0.11681001987526557,0.07845803920224796
EOS-2-06001,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nn2)nn1C,XWSICMNIRYIGQH-UHFFFAOYSA-N,2,1,0.289,76,14,447.466,2.809,6,0.401,0.63,0.385,0.06220444109382496,0.0607566307998081,0.0377373038174217,0.04057295593173874,0.05031783291069838
EOS-2-06002,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)cc2)nn1,PWHBSMMEOLCLJH-UHFFFAOYSA-N,2,1,0.286,98,424,447.466,2.809,6,0.401,0.68,1.0,0.07155952299362621,0.06486875471180865,0.1129977383318484,0.1145397847988486,0.09099145020903296
EOS-2-06003,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)cn5)n34)cc2)cn1,JCXVEXKMMVWOBJ-UHFFFAOYSA-N,2,1,0.312,98,167,447.466,2.809,6,0.401,0.72,1.0,0.10359125488314715,0.0827136591049277,0.11886608183126585,0.12991741484476732,0.108772102666027
EOS-2-06004,Cc1cc(-c2nnn(C)n2)ncc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,SUEFTXRAWOFSGG-UHFFFAOYSA-N,2,1,0.298,98,303,447.466,2.809,6,0.401,0.62,1.0,0.08403296552669454,0.07575731615379343,0.1605784387636214,0.16951374134740593,0.12247061544787882
EOS-2-06005,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)nc5)n34)nc2)nn1,HVFJVUWMWQHFHQ-UHFFFAOYSA-N,2,1,0.279,70,968,447.466,2.809,6,0.401,0.69,1.0,0.03977623192378864,0.04221780549653896,0.17664998971969023,0.1461774381468028,0.10120536632170515
EOS-2-06006,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnn(C)c6)n5)n34)cc2)cn1,DVSINJATWFDCOX-UHFFFAOYSA-N,2,1,0.282,98,167,447.466,2.809,6,0.401,0.62,1.0,0.0382170516071551,0.04582448084435611,0.15411897745185388,0.1388355835789185,0.0942490233705709
EOS-2-06007,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnn(C)c6)n5)n34)cc2)nn1,XDDBNDLRSPJEGU-UHFFFAOYSA-N,2,1,0.282,98,63,447.466,2.809,6,0.401,0.67,1.0,0.05496538962374066,0.045833047769172776,0.14807072853128642,0.1388441505037352,0.09692832910698376
EOS-2-06008,CCn1c(-c2ccccn2)nnc1-c1cncc2nnc(-c3ccc(-c4cncnc4)nc3)n12,PBMLNVWTAMZDNN-UHFFFAOYSA-N,2,1,0.293,94,754,447.466,2.984,6,0.392,0.54,0.857,0.04696388184497293,0.053123500788157085,0.03774587074223837,0.06095367007059146,0.049696730861489964
EOS-2-06009,CCn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cncnc5)n4)n23)cc1,WIJPLGICBDIAKY-UHFFFAOYSA-N,2,1,0.279,98,167,447.466,2.984,6,0.392,0.65,1.0,0.10090124049071346,0.06076519772462477,0.14507230484545267,0.15356212733877048,0.11507521759989034
EOS-2-06010,Cc1cc(-c2nnc3cncc(-c4ccc(-c5nc(C)no5)nc4)n23)cc(-c2ccccn2)n1,HMMUQXRSJXJSJI-UHFFFAOYSA-N,2,1,0.288,76,321,447.462,3.977,6,0.395,0.71,1.0,0.15768281817558769,0.10842300047974779,0.17345452676307313,0.15357069426358713,0.14828275992049894
EOS-2-06011,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)c1,HIVJINOKDHNIRR-UHFFFAOYSA-N,2,1,0.517,81,932,447.462,3.408,6,0.382,0.6,1.0,0.31782434377355906,0.2497601261051333,0.4079483928449044,0.3540795695976972,0.33240310808032353
EOS-2-06012,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6cccnc6)n5)n34)cn2)cc1,NKECUEBJTICIAZ-UHFFFAOYSA-N,2,1,0.381,28,363,447.462,3.408,6,0.382,0.67,1.0,0.2540264546638339,0.19048557329860874,0.2388201631142485,0.2524587074223837,0.2339477246247687
EOS-2-06013,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)nc2)cn1,CSFKMWKSJFOQFL-UHFFFAOYSA-N,2,1,0.495,40,868,447.462,3.612,6,0.411,0.75,1.0,0.4876807621136317,0.38839010348845177,0.5073075868686177,0.4305993420601741,0.4534944486327188
EOS-2-06014,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1,MODZGSFKXKRPHP-UHFFFAOYSA-N,2,1,0.47,67,870,447.462,3.836,6,0.392,0.8,1.0,0.40537831539990404,0.26494071688026866,0.3709564114865328,0.34129771777122886,0.34564329038448355
EOS-2-06015,COc1ccc(-c2nn[nH]n2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,PMJYWAJRFZVFNI-UHFFFAOYSA-N,2,1,0.303,30,737,447.462,3.709,6,0.425,0.78,1.0,0.14640874511685287,0.10497909670344734,0.4294513741347406,0.4115722020423549,0.2731028544993489
EOS-2-06016,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,SJWKZWIGRSNCEX-UHFFFAOYSA-N,2,1,0.303,42,7,447.462,3.709,6,0.425,0.65,1.0,0.24079055582208211,0.07232197930230964,0.46557809608662876,0.3861455691864848,0.2912090500993763
EOS-2-06017,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nnc(C)o5)cn4)n23)c(-c2ccccc2)n1,YWZDXJJKYZAKHY-UHFFFAOYSA-N,2,1,0.303,30,321,447.462,3.977,6,0.395,0.65,0.813,0.13310431087656774,0.10843156740456446,0.13008018641628402,0.1343722157494346,0.1264970701117127
EOS-2-06018,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6noc(C)n6)cn5)n34)nc2)n1,XLPSINMKEBYKLM-UHFFFAOYSA-N,2,1,0.283,70,687,447.462,3.977,6,0.395,0.72,1.0,0.10850866972791447,0.11160132958673155,0.1766585566445069,0.15110341991638682,0.13696799396888493
EOS-2-06019,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)nn2)cc1,URRVMTWPBDCLEK-UHFFFAOYSA-N,2,1,0.614,30,104,447.462,3.408,6,0.382,0.76,0.999,0.07156808991844288,0.11742683846206566,0.1863391816873415,0.234939346172298,0.152568364060037
EOS-2-06020,COc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)nn1,HODXKVVEPLYQMY-UHFFFAOYSA-N,2,1,0.311,9,537,447.462,3.709,6,0.425,0.7,1.0,0.41432218490850525,0.2398053594681653,0.414741964224522,0.35098690973888014,0.35496410458501815
EOS-2-06021,c1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,PBSATRPNLXJJIH-UHFFFAOYSA-N,2,1,0.5,40,25,447.462,3.612,6,0.411,0.69,1.0,0.47289424988006307,0.40273970255637037,0.38970940991021863,0.3413062846960455,0.40166241176067435
EOS-2-06022,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nn2)c1,PSSWPBWSMKNFOZ-UHFFFAOYSA-N,2,1,0.483,40,25,447.462,3.408,6,0.382,0.67,0.995,0.2834881091083545,0.2754351997806867,0.3484853676924131,0.33494105955726133,0.3105874340346789
EOS-2-06023,c1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)ncn2)ccn1,ZSSIDKAAVFLONJ-UHFFFAOYSA-N,2,1,0.453,40,763,447.462,3.612,6,0.411,0.61,1.0,0.4583304776917278,0.3978479884860531,0.46930470838187927,0.4082054005894044,0.4334221437872662
EOS-2-06024,Cn1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cn1,AHXIZRAGTPUGIC-UHFFFAOYSA-N,2,1,0.391,28,318,447.462,3.836,6,0.392,0.72,1.0,0.3792063600849839,0.2139675142210952,0.37096497841134946,0.3221420738811596,0.32157023164964704
EOS-2-06025,c1cncc(-c2cnc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cn2)c1,UERIDZRRMZDVAX-UHFFFAOYSA-N,2,1,0.467,80,355,447.462,3.408,6,0.382,0.67,1.0,0.27015797409361936,0.1863477486121582,0.3444503461037626,0.31613665958467546,0.2792731820985539
EOS-2-06026,COc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,UXILOZGRMDUPNZ-UHFFFAOYSA-N,2,1,0.329,9,7,447.462,3.709,6,0.425,0.67,1.0,0.204946542389144,0.09553834555547941,0.5551024604208074,0.4590243986018779,0.32865293674182716
EOS-2-06027,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6noc(C)n6)cc5)n34)cn2)n1,PSKDUTZZMFZWJT-UHFFFAOYSA-N,2,1,0.297,42,762,447.462,3.977,6,0.395,0.69,1.0,0.20495510931396066,0.13477486121581797,0.2316410801178809,0.1915050373517922,0.1907190219998629
EOS-2-06028,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c1,MTQIWDUNSGNEHA-UHFFFAOYSA-N,2,1,0.511,40,425,447.462,3.612,6,0.411,0.72,1.0,0.6298574463710507,0.402748269481187,0.4655866630114454,0.3956719895826194,0.47346609211157564
EOS-2-06029,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5noc(C)n5)cn4)n23)c(-c2ccccc2)n1,KWHXMFUINJRMTF-UHFFFAOYSA-N,2,1,0.322,32,321,447.462,3.977,6,0.395,0.67,1.0,0.13585429374271812,0.11743540538688232,0.11887464875608252,0.1257453224590501,0.12447741758618325
EOS-2-06030,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)cc1,IKDHSGRVAWHWHM-UHFFFAOYSA-N,2,1,0.473,12,285,447.462,3.612,6,0.411,0.66,1.0,0.5410527037214722,0.4072801727092043,0.33709135768624493,0.3251833321910767,0.4026518915769995
EOS-2-06031,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-n6cccn6)cc5)n34)nn2)c1,LQVQZXZOZSMRTK-UHFFFAOYSA-N,2,1,0.473,81,932,447.462,3.408,6,0.382,0.65,1.0,0.322596120896443,0.18635631553697485,0.3596138030292646,0.3221506408059763,0.2976792200671647
EOS-2-06032,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)o6)cn5)n34)cc2)cn1,DDRUVFRQQMNDKP-UHFFFAOYSA-N,2,1,0.307,38,193,447.462,3.977,6,0.395,0.68,1.0,0.10359982180796382,0.12804982523473374,0.24234116921389898,0.19971215132615996,0.16842574189568912
EOS-2-06033,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)o6)cn5)n34)cc2)n1,SCYGGHRPDLCNFE-UHFFFAOYSA-N,2,1,0.3,38,193,447.462,3.977,6,0.395,0.65,1.0,0.11087314097731478,0.117443972311699,0.23509355081899802,0.2027619765608937,0.16654316016722637
EOS-2-06034,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ncccn6)nnc5C)n34)cc2)o1,KVZGSVIRVLJBQW-UHFFFAOYSA-N,2,1,0.278,42,303,447.462,3.977,6,0.395,0.64,1.0,0.14953567267493661,0.1017407991227469,0.21044650812144472,0.1806507436090741,0.16059343088205058
EOS-2-06035,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cn1,KJMAVGDPHVAQPG-UHFFFAOYSA-N,2,1,0.495,40,763,447.462,3.612,6,0.411,0.6,1.0,0.6387156466314852,0.43015386196970734,0.5347217462819547,0.45266774038791036,0.5140647488177644
EOS-2-06036,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2)nc1,WUIUJZVULXWFDX-UHFFFAOYSA-N,2,1,0.5,81,120,447.462,3.408,6,0.382,0.67,1.0,0.30740696319649097,0.2341426221643479,0.2824857789048043,0.2731735316290864,0.2743022239736824
EOS-2-06037,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)c5)n34)cn2)cc1,QZLVVDBZWDLBCY-UHFFFAOYSA-N,2,1,0.483,77,363,447.462,3.612,6,0.411,0.77,1.0,0.5410612706462888,0.469878692344596,0.4260417380577068,0.42749811527654036,0.46611995408128304
EOS-2-06038,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)nc1,YNOWQQKKDJFQGK-UHFFFAOYSA-N,2,1,0.557,40,425,447.462,3.612,6,0.411,0.7,1.0,0.480270372147214,0.4027568364060037,0.4007950106229868,0.34775717908299636,0.4078948495648002
EOS-2-06039,COc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,PPFPLNVUKUVSFY-UHFFFAOYSA-N,2,1,0.326,9,98,447.462,3.709,6,0.425,0.77,1.0,0.20496367623877731,0.11745253923651566,0.4693132753066959,0.4177917894592557,0.3023803200603112
EOS-2-06040,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)o6)cn5)n34)cc2)nn1,QOZVJNLOILQXSO-UHFFFAOYSA-N,2,1,0.31,38,270,447.462,3.977,6,0.395,0.68,1.0,0.11665581522856555,0.13124528819135084,0.23164964704269755,0.19972071825097662,0.16981786717839764
EOS-2-06041,CCc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)o1,UWSTZBKTOHZSGY-UHFFFAOYSA-N,2,1,0.312,9,894,447.462,3.923,6,0.387,0.75,1.0,0.14641731204166952,0.12086217531354945,0.23882873003906518,0.24647042697553287,0.18814466109245426
EOS-2-06042,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2)c1,NHSQPGPLWSZCMN-UHFFFAOYSA-N,2,1,0.483,40,25,447.462,3.408,6,0.382,0.69,1.0,0.32779624426016035,0.25483174559660066,0.3337845247070112,0.32519189911589336,0.3104011034199164
EOS-2-06043,c1cncc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)c1,RVROJUMSSSHARM-UHFFFAOYSA-N,2,1,0.396,28,297,447.462,3.612,6,0.411,0.59,1.0,0.5513929819751902,0.4349256390925913,0.37879514769378386,0.334949626482078,0.4250158488109108
EOS-2-06044,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,FJOMMYYTBIXUGL-UHFFFAOYSA-N,2,1,0.402,41,318,447.462,3.836,6,0.392,0.72,1.0,0.4926667123569324,0.2961928586114728,0.32617709546981016,0.24939174833801658,0.341107103694058
EOS-2-06045,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnc(C)o6)c5)n34)cc2)cn1,CFJCBMNHJAQUMF-UHFFFAOYSA-N,2,1,0.311,42,725,447.462,3.977,6,0.395,0.71,1.0,0.15498423685833734,0.12805839215955042,0.31893804399972586,0.267690699746419,0.21741784319100815
EOS-2-06046,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5cncnc5)cc4)n23)cc1,JIHBFSLHCKCMOR-UHFFFAOYSA-N,2,1,0.513,67,722,447.462,3.836,6,0.392,0.78,1.0,0.409944486327188,0.2597662942910013,0.46209135768624493,0.42416558152285655,0.38899192995682264
EOS-2-06047,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c1,WDGWKCZZFHRDNS-UHFFFAOYSA-N,2,1,0.538,25,722,447.462,3.836,6,0.392,0.82,1.0,0.3561527654033308,0.23981392639298196,0.35962236995408126,0.3861541361113015,0.3354357994654239
EOS-2-06048,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc(C)o6)n5)n34)cc2)n1,RSVFZQDTXBVQPU-UHFFFAOYSA-N,2,1,0.315,38,865,447.462,3.977,6,0.395,0.64,1.0,0.13586286066753478,0.104987663628264,0.17666712356932354,0.16170927283942158,0.144806730176136
EOS-2-06049,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nc2)c1,PVYKMSBGAKSOSS-UHFFFAOYSA-N,2,1,0.423,80,277,447.462,3.408,6,0.382,0.61,1.0,0.28899664176547185,0.20423548762936056,0.3788037146186005,0.32520046604071,0.29930907751353575
EOS-2-06050,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,HUNDTOARXWNJHO-UHFFFAOYSA-N,2,1,0.358,9,7,447.462,3.709,6,0.425,0.63,1.0,0.20780789527791105,0.0757658830786101,0.49312932629703243,0.4018744431498869,0.2946443869508601
EOS-2-06051,COc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)n1,RCTBGLWZDVHOBX-UHFFFAOYSA-N,2,1,0.357,9,556,447.462,3.709,6,0.425,0.67,1.0,0.43974025083955864,0.2548403125214173,0.4370588033719416,0.3607617709546981,0.3731002844219039
EOS-2-06052,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cc5)n34)cn2)nc1,MCEDQRZGIPQUNS-UHFFFAOYSA-N,2,1,0.43,6,933,447.462,3.408,6,0.382,0.7,1.0,0.43483996984442463,0.2702265094921527,0.4110324857789048,0.34131485162086217,0.36435345418408605
EOS-2-06053,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnc(C)o6)c5)n34)cc2)nn1,JFYHAIQQGCICMF-UHFFFAOYSA-N,2,1,0.306,9,424,447.462,3.977,6,0.395,0.67,1.0,0.16032999794393804,0.11746110616133233,0.27504112123912,0.2407391542731821,0.19839284490439313
EOS-2-06054,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cn5)n34)cn2)nc1,ZAPVPCVCXBKFFX-UHFFFAOYSA-N,2,1,0.5,28,297,447.462,3.408,6,0.382,0.61,1.0,0.30505105887190737,0.2242649578507299,0.38600849838941814,0.31614522650949217,0.3078674354053869
EOS-2-06055,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnc(C)o6)c5)n34)nc2)cn1,UWLULLKAJHIHOM-UHFFFAOYSA-N,2,1,0.274,70,179,447.462,3.977,6,0.395,0.76,1.0,0.1060499623055308,0.06845829620999246,0.2896305942019053,0.24940031526283327,0.17838479199506546
EOS-2-06056,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,VSLOYHGTWKBCFJ-UHFFFAOYSA-N,2,1,0.284,9,7,447.462,3.709,6,0.425,0.66,1.0,0.305059625796724,0.20905866630114453,0.3748457953533,0.2941453635802892,0.2957773627578644
EOS-2-06057,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-n6cccn6)cn5)n34)cn2)cc1,SLQZMNUVCFDCSD-UHFFFAOYSA-N,2,1,0.407,28,363,447.462,3.408,6,0.382,0.67,1.0,0.37695325885820025,0.24485127818518265,0.267485093550819,0.26165101775066824,0.2877351620862175
EOS-2-06058,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)c1,XDUBDDQICASDOB-UHFFFAOYSA-N,2,1,0.523,40,868,447.462,3.408,6,0.382,0.69,1.0,0.3838667671852512,0.21901343293811254,0.46559522993626207,0.39880748406551986,0.3668207285312864
EOS-2-06059,c1cnnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)c2)c1,HRHTYCGDVYFKQW-UHFFFAOYSA-N,2,1,0.453,40,763,447.462,3.612,6,0.411,0.62,1.0,0.6563378109793708,0.4479987663628264,0.5073161537934343,0.452676307312727,0.5160822596120896
EOS-2-06060,Cn1nnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)cc1,ORFSLBCCLLAVQP-UHFFFAOYSA-N,2,1,0.512,25,791,447.462,3.836,6,0.392,0.83,1.0,0.38387533411006786,0.27023507641696937,0.2968867795216229,0.3190237132478925,0.31750522582413815
EOS-2-06061,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nc1,VHHZWCOKJSBFTB-UHFFFAOYSA-N,2,1,0.4,67,622,447.462,3.836,6,0.392,0.71,1.0,0.36997978205743265,0.22427352477554657,0.4407854156671921,0.35731786717839764,0.34808914741964225
EOS-2-06062,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)cn2)n1,DVCAXHRQIKUROK-UHFFFAOYSA-N,2,1,0.379,30,960,447.462,3.836,6,0.392,0.72,1.0,0.13587142759235146,0.0892844904393119,0.27504968816393666,0.30679871153450755,0.20175107943252688
EOS-2-06063,c1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cc1,BXYGDFFVGCLMRS-UHFFFAOYSA-N,2,1,0.459,40,807,447.462,3.408,6,0.382,0.7,1.0,0.33280789527791105,0.25977486121581794,0.31521143170447535,0.3161537934343088,0.3059869954081283
EOS-2-06064,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)cc5)n34)cc2)cn1,INXCCGOXVIPAOX-UHFFFAOYSA-N,2,1,0.5,40,190,447.462,3.408,6,0.382,0.76,1.0,0.4677969296141457,0.3061818929477075,0.5809231718182442,0.505748406551984,0.46516260023302036
EOS-2-06065,c1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)n2)nc1,ZBWDWQASJXOGCR-UHFFFAOYSA-N,2,1,0.474,40,25,447.462,3.612,6,0.411,0.66,1.0,0.497601261051333,0.44345829620999244,0.3709735453361661,0.3283445274484271,0.41009440751147963
EOS-2-06066,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cn2)c1,IDGZWPRJINGPGO-UHFFFAOYSA-N,2,1,0.494,6,547,447.462,3.408,6,0.382,0.63,1.0,0.2917551915564389,0.23415118908916455,0.38228188609416763,0.3283530943732438,0.30913534027825373
EOS-2-06067,c1ccc2nc(CCOc3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cnc2c1,HXNAAJUPWGZGMF-UHFFFAOYSA-N,2,1,0.42,6,868,447.462,3.208,6,0.379,0.7,1.0,0.4780001370707971,0.5149749845795353,0.2208381879240628,0.23494791309711466,0.36219030566787747
EOS-2-06068,COc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)cn1,LVERODMDEMVYMN-UHFFFAOYSA-N,2,1,0.357,93,774,447.462,3.505,6,0.395,0.8,1.0,0.05497395654855733,0.09856247001576314,0.2968953464464396,0.29719518881502294,0.18690674045644576
EOS-2-06069,COc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc1,MQLZOLZTQPCYQL-UHFFFAOYSA-N,2,1,0.329,30,158,447.462,3.505,6,0.395,0.79,0.995,0.03822561853197176,0.05313206771297375,0.2316582139675142,0.2585069563429511,0.14538071413885273
EOS-2-06070,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cc5)n34)cc2)cn1,JEMCITQDHMCIOA-UHFFFAOYSA-N,2,1,0.512,40,933,447.462,3.408,6,0.382,0.74,1.0,0.3883558357891851,0.22428209170036323,0.507324720718251,0.439783085463642,0.38993643341786033
EOS-2-06071,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)nc1,TYKXGLKWOPAELD-UHFFFAOYSA-N,2,1,0.384,41,318,447.462,3.836,6,0.392,0.66,1.0,0.45385854293742717,0.28572407648550474,0.2564594613117675,0.217351449523679,0.3033483825645946
EOS-2-06072,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)nc1,CIUQVXFAVQZBLG-UHFFFAOYSA-N,2,1,0.517,40,763,447.462,3.612,6,0.411,0.61,1.0,0.6689654581591392,0.45668562812692753,0.3933503529573025,0.3381622232883284,0.46429091563292435
EOS-2-06073,c1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nc(-c2cc[nH]n2)c1,GZUBWPJHMIZZAV-UHFFFAOYSA-N,2,1,0.454,40,868,447.462,3.612,6,0.411,0.65,1.0,0.42607600575697346,0.4212271263107395,0.4479473648139264,0.3988160509903365,0.4235166369679939
EOS-2-06074,c1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cn4)n23)nc1,VUTWWSIPLMQACW-UHFFFAOYSA-N,2,1,0.447,28,297,447.462,3.612,6,0.411,0.58,1.0,0.48768932903844836,0.36947433349324926,0.30427146871359056,0.27941881982043726,0.36021348776643136
EOS-2-06075,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)nc1,PMFXKZJESOJALY-UHFFFAOYSA-N,2,1,0.548,40,932,447.462,3.408,6,0.382,0.63,1.0,0.3561613323281475,0.23415975601398123,0.3559471592077308,0.29110410527037217,0.3093430882050579
EOS-2-06076,Cc1cncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)cn2)n1,SYKJRVYVJJZWHP-UHFFFAOYSA-N,2,1,0.289,42,106,447.462,3.977,6,0.395,0.69,1.0,0.17969981495442397,0.14217668425741894,0.2532211637310671,0.20576040024672743,0.1952145157974094
EOS-2-06077,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cc2)c1,FJWAWCDTHJVKHW-UHFFFAOYSA-N,2,1,0.46,6,277,447.462,3.408,6,0.382,0.67,1.0,0.3585515043519978,0.2190219998629292,0.42945994105955726,0.36399150161058186,0.34275623672126654
EOS-2-06078,Cc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)cn2)cn1,KFVSSRDQUPQARO-UHFFFAOYSA-N,2,1,0.324,42,443,447.462,3.977,6,0.395,0.61,1.0,0.1685713796175725,0.14980124734425332,0.2860581865533548,0.22590980741553013,0.20758515523267768
EOS-2-06079,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)c1,GTVHZYWWLMIKPP-UHFFFAOYSA-N,2,1,0.529,40,2,447.462,3.408,6,0.382,0.63,1.0,0.41214618600507164,0.20424405455417724,0.4110410527037215,0.3445788499760126,0.3430025358097457
EOS-2-06080,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6noc(C7CC7)n6)cc5)n34)nn2)cc1,LUSHTQPJBKDFRW-UHFFFAOYSA-N,2,1,0.34,3,39,447.462,3.966,7,0.39,0.75,1.0,0.054982523473374,0.045841614693989445,0.042012199300938934,0.12366355972859983,0.06662497429922555
EOS-2-06081,c1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)c1,QCXKQXWFMLYDOR-UHFFFAOYSA-N,2,1,0.453,40,763,447.462,3.612,6,0.411,0.72,1.0,0.49267527928174903,0.4480073332876431,0.42234939346172296,0.3769875265574669,0.4350048831471455
EOS-2-06082,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(O)cc6)cn5)n34)nc2)cn1,VXNFDCCLKMRMLH-UHFFFAOYSA-N,2,1,0.258,42,106,447.462,3.416,6,0.437,0.7,1.0,0.06959769721060928,0.024698444246453292,0.3822904530189843,0.3573264341032143,0.20847825714481527
EOS-2-06083,c1ccc(-n2cccn2)c(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)c1,CUCTUBYLUBEEKR-UHFFFAOYSA-N,2,1,0.4,6,942,447.462,3.408,6,0.382,0.68,1.0,0.22414502090329655,0.06077376464944144,0.35963093687889797,0.32215920773079293,0.2416772325406072
EOS-2-06084,CCc1nc(-c2ccnnc2)cc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)n1,IRNGOAXVMWTZJR-UHFFFAOYSA-N,2,1,0.288,38,193,447.462,3.923,6,0.387,0.64,1.0,0.18832670824480843,0.10499623055308066,0.20695976972106092,0.19151360427660888,0.17294907819888972
EOS-2-06085,COc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cc1,QMWJQFILTUELEV-UHFFFAOYSA-N,2,1,0.378,38,171,447.462,3.505,6,0.395,0.7,1.0,0.053260571585223765,0.08613186210677815,0.4444520594887259,0.3831471455006511,0.24174790967034473
EOS-2-06086,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)nc1,RYZSIHOPLYILNJ-UHFFFAOYSA-N,2,1,0.392,28,318,447.462,3.836,6,0.392,0.61,1.0,0.34930779247481325,0.19966074977725995,0.28963916112672194,0.24074772119799875,0.26983885614419845
EOS-2-06087,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nc5)n34)cc2)nc1,UMDILDIJAVMEGM-UHFFFAOYSA-N,2,1,0.495,40,120,447.462,3.408,6,0.382,0.76,1.0,0.4033479542183538,0.2090672332259612,0.41104961962853814,0.35733500102803095,0.345199952025221
EOS-2-06088,c1ccc(-n2cnnc2COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1,QNEDGGYZQSRBPA-UHFFFAOYSA-N,2,1,0.433,77,807,447.462,3.408,6,0.382,0.67,1.0,0.40769138510040437,0.25978342814063465,0.3484939346172298,0.3607703378795148,0.3441847714344459
EOS-2-06089,c1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc(-c2cncnc2)c1,MVMILYFMORNWFX-UHFFFAOYSA-N,2,1,0.454,40,763,447.462,3.612,6,0.411,0.6,1.0,0.48027893907203073,0.434934206017408,0.45527208553217735,0.39882461791515317,0.4423274621341923
EOS-2-06090,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cn1,DLLLVZBYROCXQE-UHFFFAOYSA-N,2,1,0.324,10,705,447.462,3.505,6,0.395,0.68,1.0,0.06390925913234186,0.09227434720032897,0.2532297306558838,0.22591837434034678,0.15883292783222536
EOS-2-06091,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)no5)n34)cc2)cc1,NOYZLVZRYHDRBA-UHFFFAOYSA-N,2,1,0.5,12,285,447.458,4.482,6,0.368,0.78,1.0,0.44207902131450894,0.4611661298060448,0.382299019943801,0.4212613940100062,0.4267013912685902
EOS-2-06092,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccn6)no5)n34)cc2)cc1,IPUBEQNLCLPJFB-UHFFFAOYSA-N,2,1,0.529,12,285,447.458,4.482,6,0.368,0.82,1.0,0.40995305325200465,0.4522051264478103,0.315219998629292,0.36734973613871563,0.3861819786169557
EOS-2-06093,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccon6)cn5)n34)cc2)cc1,JNAYMFMTOULFKO-UHFFFAOYSA-N,2,1,0.524,12,285,447.458,4.482,6,0.368,0.69,1.0,0.47800870399561374,0.3978565554108697,0.49653039544924954,0.4957079706668494,0.4670259063806456
EOS-2-06094,c1coc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccnnc6)c5)n34)cc2)c1,XXGZFTGZXFWJKO-UHFFFAOYSA-N,2,1,0.494,40,78,447.458,4.482,6,0.368,0.64,1.0,0.5648087862380919,0.35015591803166335,0.7001576314166267,0.6411829209786855,0.5640763141662668
EOS-2-06095,COc1cc(-c2nnc3cncc(Oc4cnc5ccccc5c4)n23)ccc1-c1cncnc1,HQOUSZVSZJCVHT-UHFFFAOYSA-N,2,1,0.414,41,891,447.458,4.597,6,0.378,0.64,1.0,0.632684531560551,0.4971472140360496,0.6838976081145912,0.6054674114179974,0.6047991912822973
EOS-2-06096,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,MWNLCNODQSGJJG-UHFFFAOYSA-N,2,1,0.333,30,220,447.458,4.579,6,0.378,0.76,0.999,0.31284696045507504,0.1385785758344185,0.5647916523884586,0.49868926050304985,0.3787266122952505
EOS-2-06097,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nc5)n34)cc2)cc1,JDIVOZFUODEGDP-UHFFFAOYSA-N,2,1,0.568,12,285,447.458,4.482,6,0.368,0.76,1.0,0.6503837982317867,0.3929305736412857,0.5516157220204235,0.5328627235967377,0.5319482043725584
EOS-2-06098,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccoc6)cn5)n34)cc2)nc1,PHWDZLMQTTVORS-UHFFFAOYSA-N,2,1,0.523,40,120,447.458,4.482,6,0.368,0.66,1.0,0.5002741415941334,0.37900075388938387,0.5180676444383524,0.47443629634706325,0.4679447090672332
EOS-2-06099,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)nc1,LRGVDIMSXAIWGI-UHFFFAOYSA-N,2,1,0.537,77,323,447.458,4.482,6,0.368,0.77,1.0,0.6387242135563018,0.430162428894524,0.612338085120965,0.5522068398327736,0.5583578918511412
EOS-2-06100,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)nc1,KKOFICIVLYRSSB-UHFFFAOYSA-N,2,1,0.518,77,323,447.458,4.482,6,0.368,0.73,1.0,0.6215132615996162,0.43494277294222466,0.6003700911520801,0.5428260571585224,0.5499130457131107
EOS-2-06101,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)nc1,AIJYALPNCJRIRT-UHFFFAOYSA-N,2,1,0.56,28,120,447.458,4.482,6,0.368,0.7,1.0,0.46288808169419504,0.3790093208142005,0.4515968747858269,0.38616270303611816,0.4199142450825852
EOS-2-06102,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)cc5)n34)cn2)nc1,UVZATZVSWSJACZ-UHFFFAOYSA-N,2,1,0.519,28,120,447.458,4.482,6,0.368,0.71,1.0,0.5962236995408128,0.41684942772942224,0.5716623260914262,0.5088753341100678,0.5234026968679323
EOS-2-06103,COc1ccccc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)o1,JAYGHYVVZYVOIZ-UHFFFAOYSA-N,2,1,0.386,32,20,447.458,4.579,6,0.378,0.71,0.983,0.270166541018436,0.14586902885340278,0.5036752107463505,0.42126996093482283,0.335245185388253
EOS-2-06104,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cn2)ccc1=O,JFVKDXUXQHQKNC-UHFFFAOYSA-N,2,1,0.29,38,57,447.458,3.874,6,0.404,0.67,0.988,0.15228565554108697,0.09857103694057981,0.4333407580015078,0.4338376396408745,0.27950877253101225
EOS-2-06105,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cc1,KBOONZQBTTUSTB-UHFFFAOYSA-N,2,1,0.561,12,323,447.458,4.482,6,0.368,0.73,1.0,0.6475053114933863,0.3790178877390172,0.5716708930162429,0.5159773147830855,0.5285428517579329
EOS-2-06106,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2)nc1,HIYHNQDLWVYJKS-UHFFFAOYSA-N,2,1,0.537,77,323,447.458,4.482,6,0.368,0.74,1.0,0.6387327804811185,0.4301709958193407,0.6123466520457816,0.5522154067575903,0.5583664587759578
EOS-2-06107,c1ccc(-c2nnc(-c3ccc(COc4cncc5nnc(-c6ccccc6)n45)cn3)o2)cc1,VIARGRVSQSMEQN-UHFFFAOYSA-N,2,1,0.588,12,897,447.458,4.482,6,0.368,0.82,1.0,0.5758515523267768,0.3978651223356864,0.37485436227811664,0.3673583030635323,0.428982335001028
EOS-2-06108,c1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccccc6)n5)n34)cn2)cc1,NPHAYDNYEPIENV-UHFFFAOYSA-N,2,1,0.43,12,363,447.458,4.482,6,0.368,0.77,1.0,0.3883644027140018,0.35495339592899733,0.3042800356384072,0.3381707902131451,0.3464421561236378
EOS-2-06109,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccoc6)n5)n34)cn2)cc1,SDUOXTRDPPIBBY-UHFFFAOYSA-N,2,1,0.415,28,797,447.458,4.482,6,0.368,0.69,1.0,0.4099616201768213,0.32602289082311015,0.47262867521074636,0.4621855938592283,0.4176996950174765
EOS-2-06110,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cccnc3-c3ccccc3)n12,AFYHQYIPCXVRBL-UHFFFAOYSA-N,2,1,0.33,69,220,447.458,4.579,6,0.378,0.66,0.992,0.31016551298745804,0.12806695908436708,0.4931378932218491,0.4494037420327599,0.34519352683160853
EOS-2-06111,COc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)o1,KRLDJQUEQJDNEO-UHFFFAOYSA-N,2,1,0.348,93,220,447.458,4.579,6,0.378,0.81,1.0,0.409970187101638,0.30107600575697346,0.43334932492632444,0.38981221300801866,0.3835519326982386
EOS-2-06112,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)nc5)n34)cc2)ccn1,FQRYOJBHCRHYCA-UHFFFAOYSA-N,2,1,0.577,41,120,447.458,4.482,6,0.368,0.69,1.0,0.5845726817901447,0.43017956274415736,0.6328730039065177,0.5686724693304092,0.5540744294428072
EOS-2-06113,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)nc5)n34)cc2)nc1,ICJJDUVDTYFQND-UHFFFAOYSA-N,2,1,0.562,28,120,447.458,4.482,6,0.368,0.72,1.0,0.647513878418203,0.40728873963402096,0.5648002193132753,0.4957165375916661,0.5288298437392913
EOS-2-06114,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)cc1,JFXWFDOXZZBFSY-UHFFFAOYSA-N,2,1,0.541,12,285,447.458,4.482,6,0.368,0.7,1.0,0.47020423548762935,0.3694829004180659,0.5682098553903091,0.5292560482489206,0.48428825988623125
EOS-2-06115,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccoc6)cn5)n34)cc2)c1,GHNIKADPHYHQGP-UHFFFAOYSA-N,2,1,0.494,41,25,447.458,4.482,6,0.368,0.63,1.0,0.5026900143924337,0.4027654033308204,0.5748577890480433,0.5359211157562881,0.5040585806318963
EOS-2-06116,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccc(O)cc6)cc5)n34)c2)o1,CVTQWUUPJPNHLA-UHFFFAOYSA-N,2,1,0.303,69,90,447.458,4.584,6,0.417,0.66,1.0,0.2517048180385169,0.20907580015077787,0.5580580494825578,0.5389538071413885,0.3894481187033103
EOS-2-06117,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cn5)n34)cc2)c1,XXZFCBBLPINUDO-UHFFFAOYSA-N,2,1,0.47,41,78,447.458,4.482,6,0.368,0.75,1.0,0.470212802412446,0.2754437667055034,0.6454149818381194,0.5903896237406621,0.49536529367418275
EOS-2-06118,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)cc2)nc1,RFJMAAZWMZSQJE-UHFFFAOYSA-N,2,1,0.518,77,323,447.458,4.482,6,0.368,0.78,1.0,0.6215218285244328,0.43920910150092524,0.5938078267425125,0.542834624083339,0.5493433452128025
EOS-2-06119,c1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)c2)nc1,KKNLOGHTDYLYAH-UHFFFAOYSA-N,2,1,0.6,28,120,447.458,4.482,6,0.368,0.66,1.0,0.4926838462065657,0.38372112946336784,0.5682184223151258,0.5024073058734837,0.4867576759646357
EOS-2-06120,COc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1,WHGIUQNHUZGMJT-UHFFFAOYSA-N,2,1,0.333,64,885,447.458,4.579,6,0.378,0.77,1.0,0.30234391062984034,0.10174936604756357,0.5180762113631691,0.4774518538825303,0.34990533548077585
EOS-2-06121,COc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)cc1,DGNXMXGPHWJYOX-UHFFFAOYSA-N,2,1,0.372,32,479,447.458,4.579,6,0.378,0.73,1.0,0.34709752587211296,0.17788362689329038,0.5036837776711671,0.41158076896717155,0.3600614248509355
EOS-2-06122,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6nnco6)c5)n34)cc2)cc1,XMDMSJZUNPQNIO-UHFFFAOYSA-N,2,1,0.512,12,285,447.458,4.482,6,0.368,0.75,1.0,0.6596960455075046,0.42560482489205675,0.555111027345624,0.5428431910081557,0.5458137721883354
EOS-2-06123,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cc1,XYANVTYJBSGQCB-UHFFFAOYSA-N,2,1,0.5,12,897,447.458,4.482,6,0.368,0.72,1.0,0.46546672606401207,0.40277397025563705,0.4965389623740662,0.46219416078404496,0.45674345486944007
EOS-2-06124,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cc2)cc1,DIBNQDMTXANVEO-UHFFFAOYSA-N,2,1,0.603,12,285,447.458,4.482,6,0.368,0.76,1.0,0.6272102666027003,0.42123569323555615,0.5312178740319375,0.522256870673703,0.5254801761359742
EOS-2-06125,c1cc(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)nc(-c2cnccn2)c1,BVTANIDFBQFAKE-UHFFFAOYSA-N,2,1,0.529,28,120,447.458,4.482,6,0.368,0.64,1.0,0.4628966486190117,0.35985367692413134,0.5143924336920019,0.46514118292097867,0.4505709855390309
EOS-2-06126,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,DRIXXAKHBPJUEW-UHFFFAOYSA-N,2,1,0.341,69,152,447.458,4.579,6,0.378,0.74,1.0,0.3304005894044274,0.14218525118223563,0.6003786580768967,0.512533411006785,0.3963744774175862
EOS-2-06127,c1cc(-c2ncco2)cc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)cc4)n23)c1,USEGIGLVJBAUSR-UHFFFAOYSA-N,2,1,0.53,77,427,447.458,4.482,6,0.368,0.68,1.0,0.5845812487149613,0.354961962853814,0.6123552189705983,0.5328712905215544,0.521192430265232
EOS-2-06128,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)cn5)n34)cn2)cc1,NLLLGKPTDRKJLK-UHFFFAOYSA-N,2,1,0.53,28,363,447.458,4.482,6,0.368,0.68,1.0,0.4397488177643753,0.35497052977863064,0.5280652456994037,0.4835943389760812,0.4515947330546227
EOS-2-06129,c1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nc5)n34)cc2)c1,RWGOCKOYYQKVQY-UHFFFAOYSA-N,2,1,0.536,40,120,447.458,4.482,6,0.368,0.7,1.0,0.6047906243574807,0.3790264546638339,0.6510520183674868,0.5780446850798437,0.5532284456171612
EOS-2-06130,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cccnc6)o5)n34)nc2)cc1,RJOQWALQGFOWJW-UHFFFAOYSA-N,2,1,0.465,41,592,447.458,4.482,6,0.368,0.75,1.0,0.3493163593996299,0.280352614625454,0.44795593173874304,0.43979165238845863,0.3793541395380714
EOS-2-06131,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)cc2)c1,LZOPLVXFWDNGTO-UHFFFAOYSA-N,2,1,0.512,77,323,447.458,4.482,6,0.368,0.74,1.0,0.6243060790898499,0.4349513398670413,0.6481820985539031,0.6022890823110136,0.577432149955452
EOS-2-06132,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)cn5)n34)cc2)cc1,WBICFGMOLACCRE-UHFFFAOYSA-N,2,1,0.554,12,285,447.458,4.482,6,0.368,0.71,1.0,0.3721986155849496,0.33541224042217804,0.5970546912480296,0.5813515180590775,0.4715042663285587
EOS-2-06133,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2)cc1,HOMOGMLSHWCJNZ-UHFFFAOYSA-N,2,1,0.554,12,285,447.458,4.482,6,0.368,0.73,1.0,0.4515968747858269,0.41218902062915497,0.5516242889452402,0.5359296826811047,0.48783496676033167
EOS-2-06134,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)cn5)n34)cc2)nc1,BSHVFYFNCPGSEN-UHFFFAOYSA-N,2,1,0.612,28,120,447.458,4.482,6,0.368,0.74,1.0,0.4053868823247207,0.35497909670344735,0.5613563155369748,0.4986978274278665,0.45510503049825235
EOS-2-06135,CC(C)(C)c1ncc(-c2nnc3cncc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)cn1,HMCWMBJBZQCASZ-UHFFFAOYSA-N,2,1,0.286,50,489,447.453,4.199,5,0.407,0.69,1.0,0.12745870742238366,0.1819443492563909,0.45160544171064354,0.24940888218764992,0.252604345144267
EOS-2-06136,FCCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,QJNMBPIAVOTOGH-UHFFFAOYSA-N,2,1,0.516,35,545,447.449,3.78,5,0.36,0.7,1.0,0.487697895963265,0.4212442601603728,0.5905438283873621,0.5652971009526421,0.5161957713659104
EOS-2-06137,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2F)n1C,HXOUNUOJNONUMO-UHFFFAOYSA-N,2,1,0.522,37,589,447.449,3.795,5,0.394,0.61,1.0,0.8129069289287917,0.6865961894318415,0.6184377355904325,0.5686810362552258,0.6716554725515728
EOS-2-06138,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cc2)n1,AGDXIOAZIOJHIV-UHFFFAOYSA-N,2,1,0.578,91,70,447.449,3.969,5,0.376,0.68,1.0,0.6901343293811254,0.6719381810705229,0.5905523953121787,0.5749348913713933,0.6318899492838052
EOS-2-06139,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)cc1,FBIJRBQYLJLJES-UHFFFAOYSA-N,2,1,0.617,91,520,447.449,3.969,5,0.376,0.67,1.0,0.8286101021177438,0.765112055376602,0.6328815708313343,0.6234236858337331,0.7125068535398533
EOS-2-06140,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,PWCNQZNADLVZPE-UHFFFAOYSA-N,2,1,0.75,91,520,447.449,3.969,5,0.376,0.68,1.0,0.8699797820574326,0.7779538756767871,0.6568346926187376,0.6352546090055514,0.7350057398396272
EOS-2-06141,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)cn1,XYKNWUZVLBOAAY-UHFFFAOYSA-N,2,1,0.64,84,884,447.449,3.969,5,0.376,0.74,1.0,0.507787334658351,0.39787368926050304,0.7462819546295661,0.6902285655541087,0.5855428860256322
EOS-2-06142,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c2)n1C,RCHKYPZBIZDGOD-UHFFFAOYSA-N,2,1,0.575,43,250,447.449,4.412,5,0.383,0.7,1.0,0.690142896305942,0.5195240216571859,0.715415324515112,0.64983551504352,0.64372943938044
EOS-2-06143,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1F,OAQKIDULSLUDRI-UHFFFAOYSA-N,2,1,0.522,37,394,447.449,3.795,5,0.394,0.7,1.0,0.6017493660475636,0.6191316565005826,0.6066496470426975,0.5653056678774587,0.5982090843670755
EOS-2-06144,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1,GSOIBKOIVSSBQK-UHFFFAOYSA-N,2,1,0.605,91,520,447.449,3.969,5,0.376,0.67,1.0,0.8612329518196148,0.7606058529230347,0.6393410321431019,0.6234322527585497,0.7211530224110753
EOS-2-06145,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1F,LJBKAUHRISAMTA-UHFFFAOYSA-N,2,1,0.485,26,125,447.449,3.969,5,0.376,0.76,1.0,0.7084418477143445,0.57525186758961,0.6154907134534987,0.5935936536220958,0.6231945205948872
EOS-2-06146,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cn2)c1,YJXLCOVGVADGFC-UHFFFAOYSA-N,2,1,0.511,84,749,447.449,3.969,5,0.376,0.73,1.0,0.705357754780344,0.642279487355219,0.6454235487629361,0.5993763278733466,0.6481092796929614
EOS-2-06147,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)c(C)n1,VZRQKFCEMJFUMM-UHFFFAOYSA-N,2,1,0.61,59,294,447.449,4.235,5,0.387,0.79,1.0,0.5127304502775684,0.5287077650606539,0.6510605852923035,0.5873397985059283,0.5699596497841135
EOS-2-06148,CCn1cc(-c2cc(F)c(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)cn1,VLQMARZBZUWYBV-UHFFFAOYSA-N,2,1,0.568,84,73,447.449,3.969,5,0.376,0.72,1.0,0.4901566033856487,0.4072973065588376,0.626961825783017,0.6086714412994312,0.5332717942567335
EOS-2-06149,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c(F)c1,WEJULVGRNMIOKZ-UHFFFAOYSA-N,2,1,0.547,37,619,447.449,3.795,5,0.394,0.64,0.999,0.607514906449181,0.5858320197381948,0.6866818586800082,0.6262936056473168,0.6265805976286751
EOS-2-06150,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ccc2F)cn1,MQSZDKLUKPFLOI-UHFFFAOYSA-N,2,1,0.505,37,394,447.449,3.969,5,0.376,0.65,1.0,0.6103162908642313,0.5805547940511274,0.6066582139675142,0.5903981906654787,0.5969818723870879
EOS-2-06151,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1F,UBFFDTOWHZKWOY-UHFFFAOYSA-N,2,1,0.553,37,545,447.449,3.795,5,0.394,0.69,1.0,0.5933623466520458,0.6143256116784319,0.7209666917963128,0.6581539990405044,0.6467021622918238
EOS-2-06152,CCn1cncc1-c1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1F,ZLJKGHOXIYUEDS-UHFFFAOYSA-N,2,1,0.484,44,864,447.449,3.969,5,0.376,0.68,0.999,0.5308409293400042,0.37903502158865054,0.5347303132067713,0.5458244808443561,0.49760768624494556
EOS-2-06153,Cc1cccnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)n(C)n1,GMQOENWTXLAFPU-UHFFFAOYSA-N,2,1,0.478,89,51,447.449,4.412,5,0.383,0.64,1.0,0.5648173531629086,0.5471780549653896,0.694811870331026,0.6054759783428141,0.6030708142005345
EOS-2-06154,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c(F)c1,RSFDVEIWAWPTHB-UHFFFAOYSA-N,2,1,0.505,37,589,447.449,3.795,5,0.394,0.65,0.978,0.5786786375162771,0.5858405866630114,0.6393495990679186,0.587348365430745,0.597804297169488
EOS-2-06155,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)n(C)n4)n23)n1,NPMZIPMAAASJOL-UHFFFAOYSA-N,2,1,0.462,95,266,447.449,3.795,5,0.394,0.7,0.997,0.4285004454800905,0.359862243848948,0.5648087862380919,0.5389623740662052,0.4730334624083339
EOS-2-06156,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)cn1C,HIVGZYGCPXVVQX-UHFFFAOYSA-N,2,1,0.54,35,161,447.449,3.795,5,0.394,0.64,1.0,0.8384449318072784,0.7694383524090193,0.6813446645192242,0.6148995956411486,0.7260318860941677
EOS-2-06157,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)nc1,IXJSMJFFAWEVJZ-UHFFFAOYSA-N,2,1,0.454,26,1,447.449,3.969,5,0.376,0.63,0.947,0.5962322664656295,0.45669419505174425,0.6536820642862038,0.6176581454321157,0.5810666678089234
EOS-2-06158,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c(F)c1,YBUMJRSIMILPPV-UHFFFAOYSA-N,2,1,0.469,26,589,447.449,3.969,5,0.376,0.68,1.0,0.7144215612363786,0.590646631485162,0.6481906654787197,0.6149081625659654,0.6420417551915565
EOS-2-06159,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1F,QSGLWXDCMRQXEF-UHFFFAOYSA-N,2,1,0.5,26,589,447.449,3.969,5,0.376,0.68,1.0,0.7595606880954012,0.5906551984099787,0.6596018093345213,0.6234408196833665,0.6583146288808169
EOS-2-06160,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)c1,YFKZWVHGCUTBHC-UHFFFAOYSA-N,2,1,0.511,26,328,447.449,3.969,5,0.376,0.66,1.0,0.5591374820094579,0.4392176684257419,0.7386830923171819,0.684677198272908,0.6054288602563224
EOS-2-06161,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccn1,NTNNPEJMVBZMLK-UHFFFAOYSA-N,2,1,0.549,26,864,447.449,3.969,5,0.376,0.63,1.0,0.5814286203824275,0.47417072167774654,0.6813532314440408,0.6411914879035021,0.5945360153519292
EOS-2-06162,FCCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,HCNJZEFZARNGGD-UHFFFAOYSA-N,2,1,0.646,91,520,447.449,3.78,5,0.36,0.73,1.0,0.8129154958536083,0.7109862243848948,0.4829946542389144,0.5222654375985196,0.6322904530189842
EOS-2-06163,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)c(C)n1,IUXAVRCKKPMHTG-UHFFFAOYSA-N,2,1,0.63,59,294,447.449,4.235,5,0.387,0.77,1.0,0.48532485778904805,0.44346686313480915,0.6596103762593379,0.5964464395860462,0.5462121341923103
EOS-2-06164,Cc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c(F)cc1-c1ccnn1C,LWKDUOJVJYYYCG-UHFFFAOYSA-N,2,1,0.517,37,619,447.449,3.795,5,0.394,0.66,1.0,0.6243146460146666,0.5102546090055514,0.7154238914399287,0.6498440819683367,0.6249593071071209
EOS-2-06165,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cn2)cn1,FIDLHHLXRJNNNJ-UHFFFAOYSA-N,2,1,0.516,84,672,447.449,3.969,5,0.376,0.69,1.0,0.5385254609005551,0.5423548762936057,0.6730775820711398,0.6322818860941677,0.5965599513398671
EOS-2-06166,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1F,IMYHWCBDGWQTGR-UHFFFAOYSA-N,2,1,0.495,26,125,447.449,3.969,5,0.376,0.66,0.999,0.7053663217051607,0.5952470701117127,0.6624288945240216,0.6290778562127339,0.6480300356384072
EOS-2-06167,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cn2)[nH]1,UWPWWAGLEICGTR-UHFFFAOYSA-N,2,1,0.534,84,749,447.449,4.093,5,0.421,0.66,1.0,0.6841460489342746,0.628066959084367,0.6066667808923308,0.5589747104379412,0.6194636248372285
EOS-2-06168,Cc1nc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1-c1cn(C)cn1,RYSHJGFDJSVULK-UHFFFAOYSA-N,2,1,0.469,84,672,447.449,3.795,5,0.394,0.72,0.998,0.6901514632307587,0.6329244054554177,0.642356589678569,0.5904067575902954,0.6389598039887603
EOS-2-06169,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1F,RFRYQXZWJTTXAD-UHFFFAOYSA-N,2,1,0.533,37,589,447.449,3.795,5,0.394,0.59,1.0,0.5989394147076965,0.6280755260091837,0.6510691522171201,0.6054845452676307,0.6208921595504078
EOS-2-06170,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)cn1,BJRMFQQOXZTHSN-UHFFFAOYSA-N,2,1,0.671,84,360,447.449,3.969,5,0.376,0.72,1.0,0.6443783839353026,0.5752604345144267,0.6948204372558426,0.6381587965184018,0.6381545130559934
EOS-2-06171,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccn1,FFGCTFBUUBTJPU-UHFFFAOYSA-N,2,1,0.578,26,864,447.449,3.969,5,0.376,0.67,1.0,0.5814371873072441,0.434959906791858,0.6866904256048249,0.6381673634432184,0.5853137207867863
EOS-2-06172,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)ccn1,ICFULUFJTDIQEJ-UHFFFAOYSA-N,2,1,0.557,26,864,447.449,3.969,5,0.376,0.63,1.0,0.5591460489342746,0.4168579946542389,0.6703361661298061,0.6290864231375506,0.5688566582139676
EOS-2-06173,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccc2F)cn1,BLOZYEUQLXFHPC-UHFFFAOYSA-N,2,1,0.516,37,394,447.449,3.969,5,0.376,0.58,1.0,0.6047991912822973,0.6045593173874306,0.6510777191419368,0.6263021725721335,0.6216846000959496
EOS-2-06174,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccc2F)cn1,WUQZVGOBMYYCQI-UHFFFAOYSA-N,2,1,0.54,37,545,447.449,3.969,5,0.376,0.62,1.0,0.6659841683229388,0.5752690014392434,0.7001661983414433,0.6640137756151052,0.6513582859296827
EOS-2-06175,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5F)n(C)n4)n23)n1,FFCRATFJZHJLTJ-UHFFFAOYSA-N,2,1,0.468,95,562,447.449,3.795,5,0.394,0.74,0.995,0.4491638681378932,0.4212528270851895,0.5312264409567542,0.5190956754163526,0.48018470289904736
EOS-2-06176,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ncc(F)cc4F)n23)cc1,GSIQVYIWEYPSOW-UHFFFAOYSA-N,2,1,0.469,26,563,447.449,3.969,5,0.376,0.72,1.0,0.8333476115413612,0.6045678843122473,0.6033599479130971,0.5653142348022754,0.6516474196422453
EOS-2-06177,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1F,FESBNHOYQMGERO-UHFFFAOYSA-N,2,1,0.538,26,125,447.449,3.969,5,0.351,0.69,1.0,0.8103539853334247,0.6422880542800357,0.7233482968953464,0.6668494277294222,0.7107099410595573
EOS-2-06178,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cc2)nn1,XNARQQVYVIDCOU-UHFFFAOYSA-N,2,1,0.377,9,867,447.437,3.906,6,0.4,0.75,1.0,0.3226046878212597,0.3929391405661024,0.4758070043177301,0.4803646083201974,0.41792886025632237
EOS-2-06179,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)nc1,YUAQCSBIIVJSCV-UHFFFAOYSA-N,2,1,0.338,42,170,447.437,3.906,6,0.4,0.7,1.0,0.2972294565142896,0.35987081077376465,0.5842385717222945,0.57494345829621,0.45407057432663966
EOS-2-06180,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cnn2)cn1,MIAUMBFPYLGWRO-UHFFFAOYSA-N,2,1,0.312,42,171,447.437,3.906,6,0.375,0.63,0.997,0.267330888904119,0.3694914673428826,0.7101980673017614,0.709949626482078,0.5142425125077102
EOS-2-06181,Fc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)cn2)n1,YDQXPPMAQLKDAN-UHFFFAOYSA-N,2,1,0.32,30,541,447.437,3.906,6,0.375,0.71,0.934,0.23806627373038175,0.29110410527037217,0.3788122815434172,0.45903296552669454,0.3417539065177164
EOS-2-06182,Fc1cnnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,LAFBRKJISWYFAL-UHFFFAOYSA-N,2,1,0.365,93,774,447.437,3.906,6,0.4,0.71,0.999,0.3328164622027277,0.4121975875539716,0.4333578918511411,0.5620673702967582,0.43510982797614967
EOS-2-06183,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cc2)nc1,MQWDFUBJIFYYEW-UHFFFAOYSA-N,2,1,0.351,42,983,447.437,3.906,6,0.4,0.63,1.0,0.3074155301213077,0.3644883832499486,0.5245442395997533,0.5159858817079022,0.42810850866972794
EOS-2-06184,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)nn5)n34)cn2)cc1,FDFDTLBUDZQHPU-UHFFFAOYSA-N,2,1,0.378,32,572,447.437,3.906,6,0.4,0.77,1.0,0.26733945582893565,0.4073058734836543,0.49314646014666574,0.5749520252210266,0.43568595367007057
EOS-2-06185,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cc2)nc1,SJRBCGRHURZPEQ-UHFFFAOYSA-N,2,1,0.325,42,327,447.437,3.906,6,0.4,0.65,1.0,0.3352751696251114,0.3790435885134672,0.5144010006168186,0.5125419779316017,0.43531543417174967
EOS-2-06186,Fc1cccnc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cn3)n12,CWFNYQOTBRJZTF-UHFFFAOYSA-N,2,1,0.301,94,170,447.437,3.906,6,0.4,0.66,1.0,0.204972243163594,0.3598793776985813,0.47954218353779726,0.5222740045233363,0.3916669522308272
EOS-2-06187,Fc1ccccc1-c1nncc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)n1,QITLOBWJLUEMOS-UHFFFAOYSA-N,2,1,0.39,3,186,447.437,3.906,6,0.4,0.67,1.0,0.2972380234391063,0.4567027619765609,0.57486635597286,0.6381759303680351,0.4917457679391406
EOS-2-06188,Fc1cccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)c1,NLRAPSWBVQONEN-UHFFFAOYSA-N,2,1,0.41,3,186,447.437,3.906,6,0.4,0.79,1.0,0.23235213487766432,0.4122061544787883,0.5905609622369954,0.6498526488931533,0.4712429751216503
EOS-2-06189,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)ccc1-c1cncnn1,ZPRINMDCBJWXJH-UHFFFAOYSA-N,2,1,0.338,9,171,447.437,3.906,6,0.4,0.69,1.0,0.33282502912754436,0.4256133918168734,0.7438917826057159,0.7522873689260503,0.563654393119046
EOS-2-06190,Fc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cc1,LTVAEXXPYGUXNC-UHFFFAOYSA-N,2,1,0.346,94,167,447.437,3.906,6,0.4,0.67,1.0,0.2890052086902885,0.430188129668974,0.587374066205195,0.6054931121924474,0.47801512918922623
EOS-2-06191,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3cnc(-c4cncnc4)cn3)n12,KFSYLCWVSXVBIC-UHFFFAOYSA-N,2,1,0.333,94,72,447.437,3.906,6,0.4,0.62,1.0,0.28349667603317114,0.43922623535055855,0.590569529161812,0.6119011719553149,0.48129840312521416
EOS-2-06192,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cn2)cn1,UFJUNEKOMCGFRF-UHFFFAOYSA-N,2,1,0.321,94,165,447.437,3.906,6,0.375,0.75,0.985,0.2565451305599342,0.3883986704132685,0.6536906312110204,0.6352631759303681,0.4834744020286478
EOS-2-06193,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6)nn5)n34)nc2)nc1,PTCUMGILILZDNE-UHFFFAOYSA-N,2,1,0.325,30,301,447.437,3.906,6,0.4,0.73,1.0,0.27786820642862037,0.35988794462339796,0.4043245836474539,0.48037317524501405,0.38061347748612157
EOS-2-06194,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(-c3ncc(-c4cccnn4)cn3)n12,HWHKWRVEQQTHNH-UHFFFAOYSA-N,2,1,0.325,42,106,447.437,3.906,6,0.4,0.75,1.0,0.30742409704612433,0.42562195874169007,0.5580666164073744,0.6022976492358303,0.4733525803577548
EOS-2-06195,Fc1cnc(-c2nccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)n2)nc1,UYVSDSJCBIQVSS-UHFFFAOYSA-N,2,1,0.321,32,371,447.437,3.906,6,0.4,0.65,0.388,0.2751010897128367,0.3214395860461929,0.2564680282365842,0.3413234185456788,0.29858303063532315
EOS-2-06196,Fc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)cn1,LIQQXJBXUZCFHQ-UHFFFAOYSA-N,2,1,0.355,42,186,447.437,3.906,6,0.375,0.66,0.999,0.2594321842231513,0.3978822561853197,0.5580751833321911,0.614916729490782,0.457576588307861
EOS-2-06197,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)nc1,UODVWLVYJVZANL-UHFFFAOYSA-N,2,1,0.338,42,983,447.437,3.906,6,0.4,0.71,1.0,0.34932492632444656,0.3837296963881845,0.5106915221712014,0.5125505448564184,0.43907417243506275
EOS-2-06198,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5cnc(-c6cccnc6)cn5)n34)cn2)c1,AKETVQVCAPEVPO-UHFFFAOYSA-N,2,1,0.364,64,72,447.437,3.906,6,0.4,0.8,1.0,0.19670516071550956,0.3164707696525255,0.48993386334041533,0.5620759372215749,0.3912964327325063
EOS-2-06199,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,OHHLIASUNXKLEY-UHFFFAOYSA-N,2,1,0.321,64,449,447.437,3.906,6,0.4,0.75,0.996,0.24079912274689877,0.3403210883421287,0.5036923445959838,0.5749605921458433,0.41494328695771365
EOS-2-06200,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)cn2)cn1,ZWGFLBJKBYDFCW-UHFFFAOYSA-N,2,1,0.296,30,498,447.437,3.906,6,0.375,0.75,0.853,0.18833527516962512,0.2242906586251799,0.4370673702967583,0.5256408059762867,0.3438335275169625
EOS-2-06201,Fc1cc(-c2cccnc2)ncc1-c1cncc2nnc(-c3ccc(-c4cncnn4)cc3)n12,XYRCAKSOMOWIHA-UHFFFAOYSA-N,2,1,0.329,42,339,447.437,3.906,6,0.4,0.66,1.0,0.33528373654992805,0.38373826331300115,0.6624374614488383,0.6726663696799396,0.5135314577479267
EOS-2-06202,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)nc1,PQCYATXKFPDAHX-UHFFFAOYSA-N,2,1,0.316,38,983,447.437,3.906,6,0.4,0.76,1.0,0.35616989925296416,0.35989651154821467,0.50012850387225,0.5159944486327188,0.4330473408265369
EOS-2-06203,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cn2)cc1,HYWWAXZHLLNXCG-UHFFFAOYSA-N,2,1,0.354,32,572,447.437,3.906,6,0.4,0.74,0.999,0.2835052429579878,0.39294770749091906,0.6184463025152491,0.6553440477006374,0.4875608251661983
EOS-2-06204,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nn1,GNGMKCJYSCTUST-UHFFFAOYSA-N,2,1,0.321,42,171,447.437,3.906,6,0.4,0.73,0.999,0.28617812350078814,0.3695000342676993,0.6214104585018162,0.6234493866081832,0.4751345007196217
EOS-2-06205,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cn1,SBCSOYHLCJGWNP-UHFFFAOYSA-N,2,1,0.286,30,498,447.437,3.906,6,0.375,0.71,0.821,0.18261256939209103,0.21903056678774588,0.4043331505722706,0.4957251045164828,0.3254253478171476
EOS-2-06206,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)ccn1,CGQSFQRGSWBITC-UHFFFAOYSA-N,2,1,0.325,32,790,447.437,3.906,6,0.375,0.69,1.0,0.2890137756151052,0.3929562744157357,0.5938163936673292,0.590415324515112,0.4665504420533206
EOS-2-06207,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)nc2)c1,ARVBCYYCTLQZII-UHFFFAOYSA-N,2,1,0.326,32,687,447.437,3.906,6,0.4,0.77,1.0,0.25944075114796794,0.34545267630731274,0.4333664587759578,0.4744448632718799,0.37817618737577957
EOS-2-06208,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cc2)nc1,REZLSMLIZRIMCA-UHFFFAOYSA-N,2,1,0.338,38,787,447.437,3.906,6,0.4,0.7,1.0,0.3178329106983757,0.354987663628264,0.6214190254266329,0.6412000548283189,0.4838599136453978
EOS-2-06209,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nc1,CLEBXAJYKURHPJ-UHFFFAOYSA-N,2,1,0.31,42,171,447.437,3.906,6,0.4,0.77,1.0,0.3050681927215407,0.36449695017476524,0.5580837502570077,0.57496915907066,0.4506545130559934
EOS-2-06210,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccccn6)n5)n34)cc2)nc1,KIQCWCYIIMRMFY-UHFFFAOYSA-N,2,1,0.321,38,186,447.437,3.906,6,0.4,0.75,1.0,0.2946251113700226,0.3929648413405524,0.44796449866355975,0.5088839010348846,0.41110958810225484
EOS-2-06211,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnn6)n5)n34)cc2)c1,RMIAXHLQBSPRKT-UHFFFAOYSA-N,2,1,0.375,3,186,447.437,3.906,6,0.4,0.73,1.0,0.29975669933520666,0.45221369337262696,0.4931550270714824,0.6086800082242478,0.46345135700089096
EOS-2-06212,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)nc2)cc1,FKTOQQHQJYEMQX-UHFFFAOYSA-N,2,1,0.325,32,572,447.437,3.906,6,0.4,0.73,0.999,0.23538482626276472,0.3260314577479268,0.612363785895415,0.6581625659653211,0.4579856589678569
EOS-2-06213,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnc6)n5)n34)nc2)cc1,ZRQHCFGJMIWJHF-UHFFFAOYSA-N,2,1,0.323,32,186,447.437,3.906,6,0.4,0.77,0.955,0.2380748406551984,0.37905215543828386,0.49654752929888285,0.5844013432938112,0.424518967171544
EOS-2-06214,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nn1,DXLAJABQXILAJG-UHFFFAOYSA-N,2,1,0.384,93,774,447.437,3.906,6,0.4,0.76,0.343,0.3561784661777808,0.4168665615790556,0.41475053114933863,0.532879857446371,0.43016885408813654
EOS-2-06215,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)cn1,XAGWKPAVKIFHGE-UHFFFAOYSA-N,2,1,0.352,32,443,447.437,3.906,6,0.4,0.69,1.0,0.22127510108971285,0.33061476252484406,0.45528065245699406,0.5088924679597012,0.37901574600781307
EOS-2-06216,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cn1,XZYXYZAKQHMNRJ-UHFFFAOYSA-N,2,1,0.313,94,170,447.437,3.906,6,0.375,0.71,0.999,0.27271091768898637,0.3742632444657666,0.6481992324035364,0.6381844972928518,0.48333947296278523
EOS-2-06217,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cn2)cc1,YRKVLMGTXRQYFS-UHFFFAOYSA-N,2,1,0.359,32,572,447.437,3.906,6,0.4,0.75,1.0,0.28078096086628745,0.37427181139058324,0.6214275923514495,0.6581711328901377,0.4836628743746145
EOS-2-06218,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cn1,XOPNPFNPVMVCTP-UHFFFAOYSA-N,2,1,0.304,30,301,447.437,3.906,6,0.375,0.71,0.943,0.2461448838324995,0.32144815297100954,0.4516140086354602,0.5389709409910218,0.3895444966074978
EOS-2-06219,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cn2)c1,AVRKOCMDVVEUGF-UHFFFAOYSA-N,2,1,0.358,32,572,447.437,3.906,6,0.4,0.75,1.0,0.26210506476595163,0.3454612432321294,0.6066753478171476,0.6469141936810363,0.46528896237406625
EOS-2-06220,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1noc(C2CC2)n1,QIZBGDYCONROPQ-UHFFFAOYSA-N,2,1,0.433,31,569,447.434,2.608,6,0.37,0.66,1.0,0.3101740799122747,0.15373346583510383,0.010503049825234733,0.03382221917620451,0.12705820368720444
EOS-2-06221,CC(C)N=c1[nH]nc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c2)o1,ZHFNWZNRXRLYSF-UHFFFAOYSA-N,2,1,0.366,46,565,447.434,2.592,5,0.393,0.42,0.409,0.33283359605236107,0.1691196628058392,0.24234973613871566,0.13438078267425124,0.2196709444177918
EOS-2-06222,COc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nn2C)cn1,FKYDWPCAKZSWDT-UHFFFAOYSA-N,2,1,0.442,31,569,447.434,2.146,5,0.346,0.65,1.0,0.34475018847234595,0.14219381810705228,0.16384243711877183,0.10103831128778014,0.18795618874648756
EOS-2-06223,COCCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)n4)n23)nn1,NPPHAQGXIQDAOE-UHFFFAOYSA-N,2,1,0.373,53,670,447.434,2.204,5,0.33,0.67,0.863,0.297246590363923,0.14587759577821946,0.13594852991570147,0.12786991981358373,0.17673565896785692
EOS-2-06224,OCCn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)n1,CLRFXGFPJOLJME-UHFFFAOYSA-N,2,1,0.547,15,447,447.434,1.593,5,0.353,0.68,1.0,0.5539973271194572,0.4611746967308615,0.09725173051881297,0.11681858680008224,0.30731058529230343
EOS-2-06225,OCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nn2)cn1,DVLYAULUVOPDRR-UHFFFAOYSA-N,2,1,0.418,53,44,447.434,1.593,5,0.377,0.6,0.991,0.3653793434308821,0.20908436707559455,0.1605870056884381,0.16415941333698855,0.22480253238297582
EOS-2-06226,COc1nc(CCOc2cncc3nnc(-c4cc(-c5cncn5C)ncn4)n23)ccc1F,SKHCANZMVRCJQV-UHFFFAOYSA-N,2,1,0.382,31,194,447.434,2.146,5,0.37,0.6,0.997,0.4729028168048797,0.2911126721951888,0.15122335686382016,0.08913885271742855,0.25109442464532933
EOS-2-06227,COc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnnn5C)c4)n23)n1,VWEXBFMULAEJEW-UHFFFAOYSA-N,2,1,0.484,20,847,447.434,2.146,5,0.37,0.69,1.0,0.510237475155918,0.4920070591460489,0.19630251524912617,0.15111198684120347,0.3374147590980741
EOS-2-06228,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1nc(C)nn1C,XWBZWFYYJZEPCE-UHFFFAOYSA-N,2,1,0.4,31,62,447.434,2.412,5,0.387,0.61,0.685,0.4348485367692413,0.2911212391200055,0.08556644506887807,0.05638749914330752,0.2169809300253581
EOS-2-06229,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nncn1C,GFQVSFUAXKNJIB-UHFFFAOYSA-N,2,1,0.438,31,180,447.434,2.146,5,0.37,0.58,1.0,0.49016517031046536,0.34032965526694536,0.13008875334110068,0.09690048660132959,0.26437101637996024
EOS-2-06230,Cn1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1cnc(CO)cn1,IUTRJFYUQJYPCK-UHFFFAOYSA-N,2,1,0.412,31,569,447.434,1.63,5,0.37,0.5,1.0,0.36538791035569873,0.195068878075526,0.17667569049414023,0.14846480707285312,0.22139932149955452
EOS-2-06231,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(C)n4)n23)ccc1-c1cnnn1C,MCZGELCYXADEIX-UHFFFAOYSA-N,2,1,0.426,36,638,447.434,2.412,5,0.387,0.65,1.0,0.4420875882393256,0.4027825371804537,0.19289287917209239,0.11213247892536495,0.28747387087930915
EOS-2-06232,COc1cc(-c2cncc(-c3nnc4cncc(OCCc5ncnc(C)c5F)n34)c2)n[nH]1,WDAFRHRSCLSJIU-UHFFFAOYSA-N,2,1,0.431,87,227,447.434,2.444,5,0.4,0.51,0.976,0.5436827496401891,0.4741792886025632,0.19631108217394283,0.129925981769584,0.3360247755465698
EOS-2-06233,COc1ncncc1-c1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)nn1C,WHVUKBXSBLUIBI-UHFFFAOYSA-N,2,1,0.408,31,235,447.434,2.146,5,0.37,0.64,0.954,0.3471060927969296,0.2042526214789939,0.107514906449181,0.08197690357069426,0.1852126310739497
EOS-2-06234,COc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nn2C)n1,IQZVHRIKQGFXOL-UHFFFAOYSA-N,2,1,0.421,31,569,447.434,2.146,5,0.346,0.56,1.0,0.39702556370365294,0.19966931670207663,0.16059557261325474,0.11214104585018161,0.21735787471729148
EOS-2-06235,COc1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ncnn1C,KMODSNPRTWZUCV-UHFFFAOYSA-N,2,1,0.434,31,456,447.434,2.146,5,0.37,0.61,0.795,0.45620588033719417,0.3306233294496608,0.06984613803029265,0.05230107600575697,0.22724410595572614
EOS-2-06236,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ncnn1C,CUPOYUYOIIFZJD-UHFFFAOYSA-N,2,1,0.449,31,456,447.434,2.146,5,0.37,0.58,0.36,0.4702213693372627,0.34546981015694606,0.08799945171681173,0.06560551024604208,0.24232403536426564
EOS-2-06237,Cn1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)cc1CO,CVHLDUBJRGUGNM-UHFFFAOYSA-N,2,1,0.394,31,194,447.434,1.63,5,0.37,0.52,0.999,0.3838839010348845,0.1996778836268933,0.2034301966965938,0.16171783976423823,0.23717745528065245
EOS-2-06238,COc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)nn2C)cn1,FTAVEWDEGJKVMZ-UHFFFAOYSA-N,2,1,0.421,31,694,447.434,2.412,5,0.387,0.64,0.999,0.277876773353437,0.1863648824617915,0.1572801727092043,0.0802378178329107,0.1754399115893359
EOS-2-06239,COc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2C)cn1,YFFKAKGFYKCIMB-UHFFFAOYSA-N,2,1,0.439,31,235,447.434,2.146,5,0.37,0.63,0.999,0.3814680282365842,0.17789219381810706,0.1270474950311836,0.08721986155849497,0.19340689466109245
EOS-2-06240,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccns6)cc5)n34)cc2)cs1,BKVSCEAQNABAAX-UHFFFAOYSA-N,2,1,0.318,69,958,452.568,6.014,6,0.327,0.76,1.0,0.08188266739771091,0.157468645055171,0.5970632581728462,0.5873569323555616,0.35594287574532246
EOS-2-06241,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccsc5)s4)n23)c(-c2ccccc2)n1,RKGUHHLBKJQQJW-UHFFFAOYSA-N,2,1,0.307,32,321,452.568,6.014,6,0.327,0.67,0.891,0.11666438215338222,0.09857960386539648,0.39335891988211913,0.45268487423754367,0.2653219450346104
EOS-2-06242,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6)s5)n34)cc2)cs1,FALMEELKPYCONO-UHFFFAOYSA-N,2,1,0.357,69,220,452.568,6.014,6,0.327,0.75,1.0,0.06221300801864163,0.1691282297306559,0.4294685079843739,0.4463796175724762,0.2767973408265369
EOS-2-06243,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cs2)s1,GOTQXYLAMBEISO-UHFFFAOYSA-N,2,1,0.357,93,651,452.568,6.014,6,0.327,0.66,1.0,0.12461448838324996,0.2090929340004112,0.4184600095949558,0.5024158727983004,0.3136458261942293
EOS-2-06244,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)s2)n1,NXKZTMULCILOFB-UHFFFAOYSA-N,2,1,0.322,32,126,452.568,6.014,6,0.327,0.76,1.0,0.06960626413542595,0.17364299910903983,0.472637242135563,0.4557346994722774,0.29290530121307656
EOS-2-06245,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5nccs5)cc4)n23)s1,LHZXHJQQQPFZMR-UHFFFAOYSA-N,2,1,0.329,69,695,452.568,6.014,6,0.327,0.71,1.0,0.051701391268590226,0.11447124940031526,0.29323726954972246,0.37381776437529984,0.20830691864848194
EOS-2-06246,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cc(C)on1,BVYRJDOTPOVSBA-UHFFFAOYSA-N,2,1,0.434,49,501,447.43,3.314,5,0.371,0.55,0.995,0.5989479816325132,0.4741878555273799,0.23510211774381468,0.16416798026180524,0.36810148379137825
EOS-2-06247,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(C)n4)n23)ccc1-c1ncon1,SWXNSEAPOVLSPO-UHFFFAOYSA-N,2,1,0.511,15,467,447.43,3.314,5,0.371,0.64,1.0,0.8235042149270098,0.6191402234253992,0.35595572613254745,0.2378863683092317,0.5091216331985471
EOS-2-06248,N#Cc1csc(COc2cncc3nnc(-c4ccnc(-c5cc(F)ccc5F)c4)n23)n1,BIJSISVQTFUYKT-UHFFFAOYSA-N,2,1,0.553,4,702,447.43,4.039,5,0.401,0.71,1.0,0.6812075937221574,0.7522873689260503,0.7362500856692482,0.752295935850867,0.7305102460420807
EOS-2-06249,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1nc(C)no1,YTIJYMMAEJZRSA-UHFFFAOYSA-N,2,1,0.505,15,771,447.43,3.314,5,0.371,0.77,1.0,0.759569255020218,0.5564303337673908,0.2708433280789528,0.18877218833527518,0.4439037763004592
EOS-2-06250,C#Cc1csc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ncn4)n23)n1,CNDLARHQUDUAKA-UHFFFAOYSA-N,2,1,0.426,44,488,447.43,3.543,5,0.381,0.64,0.95,0.5489428414776232,0.5858491535878281,0.6123723528202316,0.6086885751490645,0.5889632307586868
EOS-2-06251,COCc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)no1,LFRJCAYUPSGLPE-UHFFFAOYSA-N,2,1,0.529,15,921,447.43,3.143,5,0.331,0.72,1.0,0.5618531971763416,0.45671132890137756,0.2932458364745391,0.24941744911246658,0.3903069529161812
EOS-2-06252,COCc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)no1,ZXVNJSBTLQYQKI-UHFFFAOYSA-N,2,1,0.527,15,921,447.43,3.143,5,0.354,0.73,1.0,0.5436913165650058,0.4301966965937907,0.3004249194709067,0.26458090603796863,0.38472345966691796
EOS-2-06253,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1nc(C)no1,IXELTJYCEMJVQS-UHFFFAOYSA-N,2,1,0.511,35,619,447.43,3.314,5,0.371,0.67,1.0,0.7479439380439997,0.5702916181207593,0.36348605304639847,0.2557055719279008,0.4843567952847646
EOS-2-06254,Cn1c(-c2ccc(C#N)cn2)nnc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,LSCNCSICSKHFBH-UHFFFAOYSA-N,2,1,0.341,8,474,447.422,2.57,6,0.394,0.73,1.0,0.15769138510040437,0.1312538551161675,0.12438318141319991,0.16952230827222262,0.1457126824754986
EOS-2-06255,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cc4)n23)cc1,YYIHCNGQMZKDLF-UHFFFAOYSA-N,2,1,0.592,1,138,447.42,5.451,5,0.358,0.82,1.0,0.9736567061887464,0.8954835172366528,0.9927866493043657,0.9825834418477143,0.9611275786443698
EOS-2-06256,Fc1ccc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)cc1-c1cccnc1,BOAGJJGNZDZKFF-UHFFFAOYSA-N,2,1,0.605,88,222,447.42,4.892,5,0.371,0.78,1.0,0.9817438832156808,0.977280515386197,0.9539185114111438,0.9563343842094442,0.9673193235556165
EOS-2-06257,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)nc1,DPVNGFQDYJQWIH-UHFFFAOYSA-N,2,1,0.581,57,732,447.42,4.892,5,0.371,0.78,1.0,0.9586217531354945,0.9463196490987595,0.9460626413542594,0.944657665684326,0.9489154273182099
EOS-2-06258,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)nc1,YZOUUQIHWHTAGH-UHFFFAOYSA-N,2,1,0.757,57,485,447.42,4.892,5,0.371,0.8,1.0,0.9916215475292989,0.9870125419779316,0.9539270783359606,0.9498749228976766,0.9706090226852169
EOS-2-06259,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)cn1,QBBFMDLFHFHTFG-UHFFFAOYSA-N,2,1,0.642,57,80,447.42,4.892,5,0.347,0.77,1.0,0.9384380782674251,0.9537900075388939,0.9559146048934275,0.9537214721403605,0.9504660407100267
EOS-2-06260,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)cc1F,UEEAFOGQKSWGED-UHFFFAOYSA-N,2,1,0.658,88,485,447.42,4.892,5,0.371,0.75,1.0,0.989762524844082,0.9828404495922144,0.9607120827907615,0.9593499417449113,0.9731662497429923
EOS-2-06261,COc1cc(-c2ccc(F)cc2)ccc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,MSJYOYWPMZJFHT-UHFFFAOYSA-N,2,1,0.373,83,558,447.42,5.606,5,0.351,0.75,0.979,0.5540058940442739,0.7434377355904325,0.9735539030909465,0.9569769035706943,0.8069936090740868
EOS-2-06262,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)c2)nc1,OXQFRQSRUMBSAY-UHFFFAOYSA-N,2,1,0.571,57,732,447.42,4.892,5,0.371,0.75,1.0,0.9547837708176273,0.9463282160235762,0.9365105201836749,0.9389092591323418,0.9441329415393052
EOS-2-06263,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,WNEWODLEOFQRFK-UHFFFAOYSA-N,2,1,0.59,57,80,447.42,4.892,5,0.371,0.73,1.0,0.9793023096429305,0.9808100884106641,0.9460712082790761,0.9491810019875265,0.9638411520800493
EOS-2-06264,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)n1,LJNHPUNHIDJOQL-UHFFFAOYSA-N,2,1,0.566,57,650,447.42,4.892,5,0.347,0.74,1.0,0.9218353779727229,0.9621084915358783,0.8971883352751696,0.9132084846823384,0.9235851723665273
EOS-2-06265,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)cn1,GPLIRPZHJLZLBR-UHFFFAOYSA-N,2,1,0.6,57,732,447.42,4.892,5,0.371,0.84,1.0,0.9502175998903434,0.9669316702076622,0.9353882530326914,0.9422760605852923,0.9487033959289973
EOS-2-06266,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)c1,QNANQKPBNPYSKJ-UHFFFAOYSA-N,2,1,0.705,57,222,447.42,4.892,5,0.347,0.78,1.0,0.979936262079364,0.9782228771160304,0.9570540058940443,0.9563429511342608,0.9678890240559249
EOS-2-06267,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)nc1,VVDMRKMBDYYNNZ-UHFFFAOYSA-N,2,1,0.74,57,485,447.42,4.892,5,0.371,0.79,1.0,0.9799448290041807,0.9558289356452607,0.95014906449181,0.947750325543143,0.9584182886710986
EOS-2-06268,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,JUBMPDGWJAWUSH-UHFFFAOYSA-N,2,1,0.615,12,650,447.42,5.451,5,0.358,0.81,1.0,0.7565965321088343,0.8506185319717634,0.9872781166472483,0.9727314783085463,0.891806164759098
EOS-2-06269,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)cc1,SGRRRGOTWRWGLT-UHFFFAOYSA-N,2,1,0.757,57,485,447.42,4.892,5,0.371,0.81,1.0,0.9820265917346309,0.985401960112398,0.9539356452607772,0.9537300390651772,0.9687735590432458
EOS-2-06270,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccn5)c4)n23)cc1,MORVCEMYXHXWIZ-UHFFFAOYSA-N,2,1,0.582,1,138,447.42,5.451,5,0.358,0.79,1.0,0.9748646425878966,0.9046415598656706,0.9895569186484819,0.9752672880542801,0.9610826022890824
EOS-2-06271,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)c(F)c4)n23)cc1F,QLIMEWRNBOUNRF-UHFFFAOYSA-N,2,1,0.753,88,485,447.42,4.892,5,0.371,0.79,1.0,0.9833373312315811,0.978231444040847,0.9664005208690288,0.9636334041532452,0.9729006750736756
EOS-2-06272,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)nc1,UTHRHKYWTQDKEO-UHFFFAOYSA-N,2,1,0.605,57,80,447.42,4.892,5,0.371,0.76,1.0,0.9803132067712974,0.9804331437187307,0.945428688917826,0.9462682475498595,0.9631108217394284
EOS-2-06273,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)ccc1F,NIBVVGAMHUYPID-UHFFFAOYSA-N,2,1,0.556,57,80,447.42,5.158,5,0.373,0.69,1.0,0.9284747447056405,0.9426016037283257,0.954715235419094,0.9446662326091426,0.9426144541155506
EOS-2-06274,Fc1ccc(-c2ncc(CCOc3cncc4nnc(-c5cccc(F)c5)n34)cc2F)cc1,NAWVHKCUZKXSOF-UHFFFAOYSA-N,2,1,0.684,57,732,447.42,4.892,5,0.371,0.75,1.0,0.9485127818518264,0.9654838599136454,0.9266756904941402,0.9380868343499418,0.9446897916523885
EOS-2-06275,Cc1nc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)ccc1F,AFLVQQNIUPOANO-UHFFFAOYSA-N,2,1,0.566,57,80,447.42,5.158,5,0.373,0.71,1.0,0.7740559248852033,0.8599222123226646,0.9506802138304434,0.942284627510109,0.8817357446371051
EOS-2-06276,Cc1cccc(-c2cccc(COc3cncc4nnc(-c5c(F)ccc(F)c5F)n34)c2)n1,XKIVBLPMJHTJOB-UHFFFAOYSA-N,2,1,0.506,57,671,447.42,5.158,5,0.348,0.69,1.0,0.9178517579329724,0.9021999862929203,0.9460797752038929,0.9313103968199575,0.9243604790624358
EOS-2-06277,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)cn1,HKQWGHYYGBZMME-UHFFFAOYSA-N,2,1,0.654,57,80,447.42,4.892,5,0.347,0.73,1.0,0.9860958810225482,0.9870211089027483,0.9586902885340278,0.9549379754643273,0.9716863134809128
EOS-2-06278,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cc2)cc1,NQQTYZLJYAUHIB-UHFFFAOYSA-N,2,1,0.532,1,528,447.42,5.973,5,0.339,0.85,1.0,0.9123603591254883,0.9089935576725379,0.9869097388801316,0.9636419710780618,0.9429764066890549
EOS-2-06279,Fc1ccc(-c2nnc3cncc(OCc4ccccc4)n23)cc1-c1ccc(C(F)F)nc1,ZYAZDYTWDHIYMR-UHFFFAOYSA-N,2,1,0.593,1,709,447.42,5.509,5,0.344,0.76,1.0,0.9699900623672126,0.9537985744637105,0.9725001713384963,0.9593585086697279,0.9639118292097869
EOS-2-06280,Fc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)c1,IYHJFMYJIYTMPU-UHFFFAOYSA-N,2,1,0.547,57,80,447.42,4.892,5,0.371,0.77,1.0,0.9137482009457885,0.9399030224110754,0.9428928791720924,0.9477588924679597,0.936075748749229
EOS-2-06281,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1F,MHORSXHWFABSST-UHFFFAOYSA-N,2,1,0.583,57,732,447.42,4.892,5,0.347,0.75,1.0,0.9882633130011651,0.9818723870879309,0.9422160921115756,0.9363563155369748,0.9621770269344115
EOS-2-06282,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(OC(F)(F)F)c5)n34)cc2)n1,LCUODCSTUYJMEJ-UHFFFAOYSA-N,2,1,0.415,83,472,447.42,5.727,5,0.352,0.82,1.0,0.5962408333904462,0.7651206223014186,0.9847508738263313,0.9666575286135289,0.8281924645329313
EOS-2-06283,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(F)c5)c(F)cn4)n23)c(F)c1,BDNOXTZHMMCONZ-UHFFFAOYSA-N,2,1,0.506,57,146,447.42,5.158,5,0.373,0.75,1.0,0.8721814817353163,0.9341717497087245,0.9547238023439106,0.9518367486806936,0.9282284456171612
EOS-2-06284,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,BOUMSIXQOGEKMK-UHFFFAOYSA-N,2,1,0.641,57,80,447.42,4.892,5,0.371,0.74,1.0,0.9910818312658488,0.9831574258104311,0.9575937221574944,0.9576108560071277,0.9723609588102254
EOS-2-06285,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)nc4)n23)cc1,WFUTVCSTNSHZKJ-UHFFFAOYSA-N,2,1,0.603,1,138,447.42,5.451,5,0.358,0.81,1.0,0.9751473511068467,0.8655678157768487,0.988057706805565,0.9720032896991296,0.9501940408470975
EOS-2-06286,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cnc4-c4ccc(F)c(F)c4)n23)cc1,JJWAOALHLVHRME-UHFFFAOYSA-N,2,1,0.593,57,13,447.42,5.158,5,0.373,0.76,1.0,0.9744191624974299,0.9596155164142279,0.9539442121855939,0.9462768144746762,0.9585639263929819
EOS-2-06287,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)cc1F,FQJQCXGSJHJGOA-UHFFFAOYSA-N,2,1,0.724,57,485,447.42,4.892,5,0.371,0.81,1.0,0.9799533959289973,0.9777602631759303,0.94953224590501,0.9504232060859434,0.9644172777739703
EOS-2-06288,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)c(F)c4)n23)c(F)c1,BGDYYCHYDLFZLT-UHFFFAOYSA-N,2,1,0.638,88,222,447.42,4.892,5,0.371,0.78,1.0,0.9713265026386129,0.9712408333904462,0.9596069494894113,0.9593670755945446,0.9653853402782538
EOS-2-06289,Fc1ccccc1-c1ncccc1COc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,LEEMEZJINAQYLT-UHFFFAOYSA-N,2,1,0.536,1,138,447.42,5.509,5,0.344,0.74,1.0,0.9647813720786786,0.9413765334795422,0.9679254334863957,0.9593756425193612,0.9583647453909945
EOS-2-06290,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)cc1,DLCUPQKNKJSYKH-UHFFFAOYSA-N,2,1,0.6,1,347,447.42,5.451,5,0.358,0.75,1.0,0.894935234048386,0.8655763827016654,0.9880662737303817,0.9732197930230965,0.9304494208758823
EOS-2-06291,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)cc1,YOGLFMVHMQFJNH-UHFFFAOYSA-N,2,1,0.597,1,138,447.42,5.451,5,0.358,0.83,1.0,0.9781115070934138,0.902208553217737,0.9901908710849153,0.9764666575286135,0.9617443972311699
EOS-2-06292,Fc1cncc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)c1,NKPMIUVKMSJQPO-UHFFFAOYSA-N,2,1,0.63,88,80,447.42,4.892,5,0.371,0.76,1.0,0.9433040915632924,0.9441265163456926,0.9539527791104105,0.9563515180590775,0.9494337262696183
EOS-2-06293,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)cc1,MBNGSYKOQZQHPL-UHFFFAOYSA-N,2,1,0.577,1,528,447.42,5.973,5,0.339,0.79,1.0,0.9713350695634295,0.9426101706531423,0.9909790281680488,0.9760554451374135,0.9702449283805086
EOS-2-06294,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)no1,CKVCSDKQMZVIFD-UHFFFAOYSA-N,2,1,0.321,98,866,447.419,2.294,6,0.395,0.65,1.0,0.154992803783154,0.28036118155027073,0.05410869714207388,0.09899081625659653,0.1471133746830238
EOS-2-06295,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cc(-c6ccc(C#N)cc6)on5)n34)nc2)no1,YKCPYIPIXOJFGB-UHFFFAOYSA-N,2,1,0.318,32,392,447.418,3.738,6,0.392,0.7,1.0,0.2621136316907683,0.23416832293879788,0.3152285655541087,0.33495819340689464,0.2866171783976424
EOS-2-06296,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2F)n[nH]1,MAFMFTPOGUSREK-UHFFFAOYSA-N,2,1,0.562,47,669,447.409,2.351,5,0.382,0.62,1.0,0.8876533479542184,0.782314440408471,0.5180847782879857,0.4714807072853129,0.6648833184839971
EOS-2-06297,O=c1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)n[nH]1,DJBWHMSEUIKNPD-UHFFFAOYSA-N,2,1,0.544,19,308,447.405,2.836,5,0.426,0.69,0.999,0.567772942224659,0.2962014255362895,0.702702008087177,0.6846857651977246,0.5628405352614625
EOS-2-06298,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)n4)n23)cc1,QUXLTHFEOMGQNS-UHFFFAOYSA-N,2,1,0.688,27,996,447.405,3.824,5,0.371,0.79,1.0,0.7386916592419985,0.7293622781166472,0.7462905215543828,0.6817130422863409,0.7240143752998424
EOS-2-06299,CCOc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)cn1,GODIHEPNNUNRMW-UHFFFAOYSA-N,2,1,0.483,13,110,447.405,4.113,5,0.383,0.74,1.0,0.7537523130697005,0.8185782331574258,0.6760074703584401,0.5964550065108628,0.7111982557741072
EOS-2-06300,COc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cncnc1,LKFOTKPATCBAMU-UHFFFAOYSA-N,2,1,0.426,46,910,447.405,3.509,5,0.39,0.69,0.914,0.8129240627784251,0.5999931464601467,0.7413645397847989,0.64986121581797,0.7010357412103352
EOS-2-06301,OCc1cc(-c2nnc3cncc(OCc4ncc(-c5cncc(F)c5)cn4)n23)ccc1F,WTMXVTRCRYXKEJ-UHFFFAOYSA-N,2,1,0.477,51,969,447.405,2.993,5,0.423,0.6,1.0,0.8699883489822493,0.7388372969638819,0.7811579055582208,0.7444229319443493,0.7836016208621753
EOS-2-06302,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cc2F)cn1,KBSAJYGXAPIXQU-UHFFFAOYSA-N,2,1,0.573,4,716,447.405,3.509,5,0.39,0.7,1.0,0.7712459735453362,0.7109947913097114,0.7027105750119937,0.605501679117264,0.6976132547460764
EOS-2-06303,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)cn1,DKEQFVPBHXSRNV-UHFFFAOYSA-N,2,1,0.638,24,294,447.405,2.993,5,0.423,0.72,1.0,0.7911383729696388,0.6866047563566582,0.7649235830306353,0.7127424439723117,0.738852289082311
EOS-2-06304,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cn2)cc1F,SNFWWOZBZMSZAM-UHFFFAOYSA-N,2,1,0.529,4,390,447.405,3.509,5,0.39,0.65,1.0,0.6326930984853677,0.7156723322596121,0.664870468096772,0.5620845041463917,0.643830100747036
EOS-2-06305,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cn4)n23)cn1,YJUYFNORIYYEAP-UHFFFAOYSA-N,2,1,0.588,27,850,447.405,3.824,5,0.371,0.78,1.0,0.6901600301555754,0.6669950654513056,0.7696182578301692,0.6726749366047563,0.6998620725104516
EOS-2-06306,COc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)nc4)n23)nc1,YREQNYWZFXTCPI-UHFFFAOYSA-N,2,1,0.489,24,786,447.405,3.509,5,0.365,0.68,0.998,0.7968439448975396,0.8032263038859571,0.6894147076965252,0.565322801727092,0.7137019395517784
EOS-2-06307,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccncc4-c4ccccn4)n23)cn1,XNXDFADBMBYFMC-UHFFFAOYSA-N,2,1,0.472,97,879,447.405,3.824,5,0.371,0.77,1.0,0.8309831402919607,0.6915478719758755,0.7983517236652731,0.7069255020217943,0.7569520594887259
EOS-2-06308,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)c(F)c2)cc1=O,YGMSAUKUMNPNFZ-UHFFFAOYSA-N,2,1,0.456,16,605,447.405,2.804,5,0.408,0.74,1.0,0.5677815091494757,0.49715578096086627,0.7285912548831471,0.7014940716880269,0.623755654170379
EOS-2-06309,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)c4)n23)cc1,AEARLMYLDDMPCU-UHFFFAOYSA-N,2,1,0.654,27,996,447.405,3.824,5,0.371,0.72,1.0,0.9441950517442259,0.794719347543006,0.894652525529436,0.8353180042491947,0.8672212322664656
EOS-2-06310,OCc1cc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)ncc1F,YPCNZCQJZGDZSM-UHFFFAOYSA-N,2,1,0.452,55,283,447.405,2.993,5,0.423,0.72,0.997,0.8612415187444314,0.7341597560139812,0.8005962579672401,0.7420070591460489,0.7845011479679255
EOS-2-06311,COc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)cc1F,ITKBMMBNEPAHBY-UHFFFAOYSA-N,2,1,0.489,24,786,447.405,3.509,5,0.39,0.66,1.0,0.8078781440614077,0.7823230073332876,0.6922674936604757,0.5904238914399287,0.718223134123775
EOS-2-06312,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)ccc2F)cn1,JUDAAJVDVYPBFF-UHFFFAOYSA-N,2,1,0.5,16,772,447.405,2.993,5,0.423,0.66,1.0,0.8333561784661778,0.7064114865327942,0.764932149955452,0.7231341237749298,0.7569584846823385
EOS-2-06313,FC(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1,HQFJPFWGVBJNPB-UHFFFAOYSA-N,2,1,0.654,24,786,447.405,3.824,5,0.371,0.75,1.0,0.6721009526420396,0.72475327256528,0.7649407168802687,0.6756133918168734,0.7093520834761154
EOS-2-06314,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cn2)cn1,HLZHFZVCPRMFTE-UHFFFAOYSA-N,2,1,0.524,55,16,447.405,3.509,5,0.39,0.71,1.0,0.7884140908779385,0.6915564389006922,0.7052206839832773,0.6055102460420807,0.6976753649509971
EOS-2-06315,COc1nc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1ccc(F)nc1,ZFFWJXBFFHPNQB-UHFFFAOYSA-N,2,1,0.447,49,122,447.405,3.509,5,0.365,0.65,1.0,0.584589815639778,0.5613134809128915,0.6359999314646014,0.5489685422520731,0.582717942567336
EOS-2-06316,COc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccc(F)nc1,OLRGRBSAZMIPLG-UHFFFAOYSA-N,2,1,0.436,49,122,447.405,3.509,5,0.365,0.65,0.999,0.6503923651566034,0.5858577205126447,0.6299088479199506,0.5359382496059215,0.6005242957987801
EOS-2-06317,COc1ccncc1COc1cncc2nnc(-c3nccnc3-c3ccc(F)cc3F)n12,MXMDEGNTIFSQAP-UHFFFAOYSA-N,2,1,0.435,46,540,447.405,3.509,5,0.39,0.71,1.0,0.7566050990336509,0.5906637653347955,0.6393581659927352,0.5873654992803783,0.6434981324103899
EOS-2-06318,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)cc1,XZXIIBQYSFNZPX-UHFFFAOYSA-N,2,1,0.692,1,996,447.405,3.824,5,0.371,0.74,1.0,0.6751936125008567,0.7388458638886986,0.7916866561579056,0.7283856486875471,0.733527945308752
EOS-2-06319,COc1nc(-c2nnc3cncc(OCc4cnccn4)n23)ccc1-c1ccc(F)cc1F,XOSIXKDSKXCTCG-UHFFFAOYSA-N,2,1,0.424,49,401,447.405,3.509,5,0.39,0.75,1.0,0.627218833527517,0.5906723322596121,0.6328901377561511,0.5653313686519087,0.6040281680487972
EOS-2-06320,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cn1,QQXSRODSLCAADI-UHFFFAOYSA-N,2,1,0.641,59,294,447.405,3.509,5,0.39,0.76,1.0,0.8965372489891029,0.7908556644506888,0.7386916592419985,0.6290949900623672,0.7637948906860395
EOS-2-06321,COc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5F)nn4)n23)n1,LMBDRTSKWJWPSR-UHFFFAOYSA-N,2,1,0.462,19,691,447.405,3.509,5,0.39,0.72,1.0,0.6597046124323213,0.6670036323761223,0.6154992803783154,0.5589832773627579,0.6252977006373792
EOS-2-06322,COc1cc(-c2nnc3cncc(OCc4ncccn4)n23)ccc1-c1cnc(F)c(F)c1,YXSIOKISQHGEDQ-UHFFFAOYSA-N,2,1,0.43,97,83,447.405,3.509,5,0.365,0.69,1.0,0.8634774861215818,0.7651291892262353,0.712836680145295,0.5993848947981633,0.7352070625728189
EOS-2-06323,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)ccc1-c1ccccn1,NBFZGKCCPSYCAV-UHFFFAOYSA-N,2,1,0.478,49,703,447.405,3.509,5,0.365,0.61,0.988,0.610324857789048,0.5805633609759441,0.5312350078815709,0.4368446302515249,0.5397419642245219
EOS-2-06324,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnc5)n4)n23)cc1,NLMOARFQHXAGAC-UHFFFAOYSA-N,2,1,0.605,97,996,447.405,3.824,5,0.371,0.8,1.0,0.8655592488520321,0.8506270988965801,0.7534781714755672,0.6846943321225413,0.7885897128366801
EOS-2-06325,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(F)c5F)n34)c2)cn1,OVPXZIWPUXQQFV-UHFFFAOYSA-N,2,1,0.374,46,160,447.405,2.993,5,0.396,0.6,1.0,0.6443869508601192,0.5015591803166335,0.7740302241107532,0.6986841203481599,0.6546651189089164
EOS-2-06326,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ncc(F)cn1,ATWBFVFGYXCZBU-UHFFFAOYSA-N,2,1,0.5,16,467,447.405,3.509,5,0.39,0.67,1.0,0.9442036186690426,0.7606144198478514,0.6948290041806593,0.5904324583647453,0.7475198752655747
EOS-2-06327,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ccc2F)cc1=O,FUEADFSDWXIEBQ-UHFFFAOYSA-N,2,1,0.529,16,605,447.405,2.804,5,0.382,0.66,1.0,0.65040093208142,0.5015677472414503,0.7285998218079638,0.6902371324789254,0.6427014084024398
EOS-2-06328,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cn2)cn1,HDKHGLHNLGVLAT-UHFFFAOYSA-N,2,1,0.494,59,109,447.405,3.509,5,0.39,0.73,1.0,0.7940082927832225,0.720264203961346,0.7180025358097457,0.6234579535329998,0.7139332465218285
EOS-2-06329,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cn2)ccc1=O,MCTVRTTXKNYLPW-UHFFFAOYSA-N,2,1,0.478,59,109,447.405,2.804,5,0.408,0.66,0.97,0.5814457542320609,0.5060482489205674,0.6184548694400658,0.6086971420738811,0.5786615036666438
EOS-2-06330,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)c2)cc1=O,HYUOGWLFWIMXKG-UHFFFAOYSA-N,2,1,0.462,16,470,447.405,2.804,5,0.382,0.6,1.0,0.5618617641011583,0.3599050784730313,0.6730861489959564,0.6352717428551847,0.5575311836063327
EOS-2-06331,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)cc1,LMOPBMFZMGJLTG-UHFFFAOYSA-N,2,1,0.747,27,996,447.405,3.824,5,0.371,0.74,1.0,0.7797700637379207,0.760622986772668,0.8725241587279831,0.8001422109519567,0.803264855047632
EOS-2-06332,Oc1cccnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)n1,XYIOHXOFJVUZNJ-UHFFFAOYSA-N,2,1,0.468,27,343,447.405,3.866,5,0.418,0.58,1.0,0.7268007675964636,0.5858662874374615,0.7362586525940649,0.6581796998149544,0.6767763518607361
EOS-2-06333,COc1ncc(F)cc1-c1ccc(-c2nnc3cncc(OCc4ccncc4F)n23)cn1,XNIKYLQWUFFOLO-UHFFFAOYSA-N,2,1,0.44,55,879,447.405,3.509,5,0.39,0.76,0.999,0.8078867109862243,0.7434463025152491,0.70017476526626,0.5964635734356796,0.7119928380508531
EOS-2-06334,OCc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)cc1F,OEJLTJYHTAANDH-UHFFFAOYSA-N,2,1,0.378,46,160,447.405,2.993,5,0.423,0.68,1.0,0.590312521417312,0.4828061818929477,0.7600918374340346,0.7153896237406621,0.6371500411212392
EOS-2-06335,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5cccnc5F)n34)ccc2F)cc1=O,OBFFBINGHGYEQR-UHFFFAOYSA-N,2,1,0.506,16,605,447.405,2.804,5,0.382,0.69,1.0,0.6841546158590912,0.5241929956822698,0.7052292509080941,0.6697621821670893,0.6458347611541361
EOS-2-06336,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1cncnc1,KWVLKLYFNQXJCP-UHFFFAOYSA-N,2,1,0.489,16,83,447.405,3.509,5,0.39,0.55,1.0,0.8103625522582414,0.7156808991844288,0.8217479953395929,0.7179854019601124,0.7664442121855939
EOS-2-06337,COc1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ncc1-c1ccc(F)nc1,IFZRHPGBPDBUIM-UHFFFAOYSA-N,2,1,0.402,46,959,447.405,3.509,5,0.365,0.68,1.0,0.8286186690425604,0.6719467479953396,0.7789048043314372,0.6817216092111575,0.7402979576451237
EOS-2-06338,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)cc1=O,OPNJFCICIJALNZ-UHFFFAOYSA-N,2,1,0.457,16,605,447.405,2.804,5,0.408,0.63,1.0,0.5102460420807347,0.30619045987252413,0.7180111027345624,0.6817301761359742,0.5540444452059489
EOS-2-06339,Cn1nc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)ccc2F)ccc1=O,ODWOFDXDCMUOBD-UHFFFAOYSA-N,2,1,0.522,4,71,447.405,2.804,5,0.408,0.66,0.997,0.4702299362620794,0.5102631759303681,0.615507847303132,0.6087057089986978,0.5511766671235694
EOS-2-06340,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cc1=O,GPXGWDJZELNSHF-UHFFFAOYSA-N,2,1,0.411,59,160,447.405,2.804,5,0.408,0.71,1.0,0.4143307518333219,0.25484887944623397,0.6922760605852923,0.6756219587416901,0.5092694126516346
EOS-2-06341,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,LEMRHSGYXHTFDT-UHFFFAOYSA-N,2,1,0.684,27,996,447.405,3.824,5,0.371,0.8,1.0,0.7856041395380714,0.7908642313755054,0.8043057364128572,0.7312898362003976,0.778015985881708
EOS-2-06342,COc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)c2)nn1,IJPJFAZNQHNAPL-UHFFFAOYSA-N,2,1,0.484,72,526,447.405,3.509,5,0.39,0.74,1.0,0.6597131793571379,0.6094338976081146,0.6360084983894181,0.5589918442875745,0.6160368549105613
EOS-2-06343,COc1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1ccc(F)cn1,DHJJSZXRWPAPKW-UHFFFAOYSA-N,2,1,0.435,49,501,447.405,3.509,5,0.365,0.63,1.0,0.8260742923720101,0.6000017133849633,0.6184634363648824,0.5191042423411693,0.6409109211157563
EOS-2-06344,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)ccc2F)cc1=O,XCZNNLUAVSLSIA-UHFFFAOYSA-N,2,1,0.511,16,605,447.405,2.804,5,0.408,0.7,1.0,0.6563463779041875,0.497164347885683,0.7233568638201631,0.7015026386128436,0.6445925570557193
EOS-2-06345,COc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ncn4)n23)n1,NMCRYIXGXIQEHA-UHFFFAOYSA-N,2,1,0.404,44,130,447.405,3.509,5,0.39,0.73,1.0,0.690168597080392,0.6767099581934068,0.6214361592762662,0.5620930710712083,0.6376019464053183
EOS-2-06346,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cc1=O,OIHWMKUPKYXNEJ-UHFFFAOYSA-N,2,1,0.535,59,294,447.405,2.804,5,0.408,0.71,1.0,0.5052429579878007,0.2962099924611062,0.7128452470701118,0.6847028990473579,0.5497502741415942
EOS-2-06347,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)cc1,SLPDWSCYXIUVDL-UHFFFAOYSA-N,2,1,0.737,24,996,447.405,3.824,5,0.371,0.79,1.0,0.8051195942704407,0.7865807689671716,0.7534867384003838,0.6817387430607909,0.7567314611746967
EOS-2-06348,FC(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc1,DOMDNCLBUPZYMV-UHFFFAOYSA-N,2,1,0.65,27,343,447.405,3.824,5,0.371,0.71,1.0,0.7797786306627373,0.7779624426016037,0.8360204920841615,0.7497172914810499,0.7858697142073882
EOS-2-06349,COc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1ccnc(F)c1,DMDPFVUUUPQKCP-UHFFFAOYSA-N,2,1,0.421,49,122,447.405,3.509,5,0.365,0.72,1.0,0.604807758207114,0.5471866218902063,0.6066839147419643,0.5057569734768008,0.5661088170790214
EOS-2-06350,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)nc4)n23)cc1,VLKDNDDMWSVECK-UHFFFAOYSA-N,2,1,0.675,27,996,447.405,3.824,5,0.371,0.79,1.0,0.9485213487766432,0.8599307792474813,0.7439003495305325,0.6640223425399219,0.8040937050236447
EOS-2-06351,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1,DXURUDZEGQJATK-UHFFFAOYSA-N,2,1,0.7,1,996,447.405,3.824,5,0.371,0.71,1.0,0.6752021794256734,0.7247618394900966,0.7720169967788363,0.6986926872729765,0.7176684257418957
EOS-2-06352,OCc1c(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)ccc(F)c1F,PZIRUSFGGDICJG-UHFFFAOYSA-N,2,1,0.489,2,817,447.405,2.993,5,0.423,0.58,1.0,0.717557055719279,0.6866133232814748,0.8217565622644095,0.7676221643478857,0.7483872764032623
EOS-2-06353,COc1ccncc1COc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)c(F)n3)n12,HWHVTOJCCGUSKO-UHFFFAOYSA-N,2,1,0.375,46,959,447.405,3.509,5,0.365,0.62,1.0,0.8430111027345624,0.6280840929340004,0.7339113151942979,0.6207165375916661,0.7064307621136316
EOS-2-06354,COc1nncnc1COc1cncc2nnc(-c3ccc(-c4cc(F)ccc4F)cc3)n12,QKOYGAGTYXWTFQ-UHFFFAOYSA-N,2,1,0.483,34,372,447.405,3.509,5,0.39,0.71,1.0,0.7995682269892399,0.7566993352066342,0.6184720032896991,0.6149252964155987,0.697416215475293
EOS-2-06355,FC(F)Oc1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)nc1,MABAQOUIFQMVKJ-UHFFFAOYSA-N,2,1,0.545,27,160,447.405,3.824,5,0.371,0.81,1.0,0.5462528270851895,0.5952556370365294,0.8084435610993078,0.7368240696319649,0.6716940237132479
EOS-2-06356,Cn1cc(-c2cnc(-c3nnc4cncc(OCC5Oc6cccnc6O5)n34)c(F)c2)nn1,GHWDYSJANXHCFX-UHFFFAOYSA-N,2,1,0.35,31,569,447.39,1.692,6,0.393,0.54,0.997,0.490173737235282,0.47419642245219656,0.2787163319854705,0.21180864916729492,0.363723785210061
EOS-2-06357,Cc1ocnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4[N+](=O)[O-])n23)nc1,VKWPVZZSYDUZCD-UHFFFAOYSA-N,2,1,0.5,4,850,447.386,3.776,5,0.281,0.7,1.0,0.6187547118086492,0.3978908231101364,0.3485025015420465,0.18065931053389075,0.38645183674868067
EOS-2-06358,O=[N+]([O-])c1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)cc1,TZEPLBSZZSVRSP-UHFFFAOYSA-N,2,1,0.674,91,660,447.386,3.51,5,0.271,0.75,1.0,0.9713436364882462,0.6622318552532382,0.4866355972859982,0.2823058734836543,0.6006292406277842
EOS-2-06359,Fc1cc(-c2cncnn2)ncc1-c1cncc2nnc(-c3ncc(C4(F)COC4)nn3)n12,ABJSMIHIZSXKQG-UHFFFAOYSA-N,2,1,0.255,50,489,447.369,1.224,6,0.392,0.58,0.585,0.302352477554657,0.38374683023781786,0.1329072716057844,0.21481563977794532,0.25845555479405113
EOS-2-06360,Cc1nc(-c2ccccc2Cl)cc(-c2cncc3nnc(-c4ccc(C)c(Cl)c4)n23)n1,KWZUQDBWAAYBLD-UHFFFAOYSA-N,2,1,0.359,96,140,447.329,5.839,5,0.348,0.73,1.0,0.31018264683709135,0.44801590021245974,0.8407408676581455,0.8955520526351861,0.6236228668357207
EOS-2-06361,Clc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,GUDDSGAEGIJNPN-UHFFFAOYSA-N,2,1,0.611,12,650,447.325,6.344,5,0.315,0.84,1.0,0.9654324583647453,0.9724145020903296,0.9596155164142279,0.977357617709547,0.9687050236447126
EOS-2-06362,Clc1cccc(COc2cncc3nnc(-c4cccc(-c5cccc(Cl)c5)c4)n23)c1,NRGGKNONWRWGCJ-UHFFFAOYSA-N,2,1,0.649,57,23,447.325,6.344,5,0.315,0.79,1.0,0.8894866698649853,0.9385837159893085,0.9636762387773284,0.9811184977040641,0.9432162805839216
EOS-2-06363,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)cc4)n23)cc1,PADAJOHIMBYYMX-UHFFFAOYSA-N,2,1,0.725,83,23,447.325,6.344,5,0.315,0.89,1.0,0.9762610513330136,0.9908847919950654,0.9688677952162292,0.9831231581111645,0.9797841991638682
EOS-2-06364,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)c2)cc1,NBDCBYVZZKQEGG-UHFFFAOYSA-N,2,1,0.627,57,23,447.325,6.344,5,0.315,0.82,1.0,0.9331522856555411,0.9637619080254952,0.9664090877938455,0.982232197930231,0.9613888698512782
EOS-2-06365,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1,WRGVQXRPNJWZPQ-UHFFFAOYSA-N,2,1,0.781,83,23,447.325,6.344,5,0.315,0.86,1.0,0.982309300253581,0.9825491741484477,0.9706411486532794,0.9834487012541978,0.9797370810773766
EOS-2-06366,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)cc1,ORFPFTLQDWRNGO-UHFFFAOYSA-N,2,1,0.761,83,23,447.325,6.344,5,0.315,0.88,1.0,0.9820351586594476,0.9818809540127476,0.9683280789527791,0.9828575834418477,0.9787754437667056
EOS-2-06367,Cc1cc(-c2nnc3cncc(-c4ccc(Cl)cc4Oc4ccccc4)n23)ccc1Cl,ZMUOSCSSWGCAQP-UHFFFAOYSA-N,2,1,0.391,83,480,447.325,6.866,5,0.302,0.82,1.0,0.4729113837296964,0.637713316427935,0.9622969638818449,0.9760640120622301,0.7622464190254266
EOS-2-06368,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(Cl)c5)c4)n23)cc1,QWFRHGBDBXKINY-UHFFFAOYSA-N,2,1,0.704,57,23,447.325,6.344,5,0.315,0.84,1.0,0.9670516071550956,0.9890172023850319,0.9667860324857789,0.9822407648550476,0.9762739017202385
EOS-2-06369,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)c2)cc1,NWYMHYJKTIGKBD-UHFFFAOYSA-N,2,1,0.694,57,23,447.325,6.344,5,0.315,0.85,1.0,0.9374614488383249,0.957576588307861,0.9658950723048455,0.9819666232609142,0.9607249331779865
EOS-2-06370,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Br)cc5)n34)o2)cn1,YVNDTZWZMVXPPF-UHFFFAOYSA-N,2,1,0.463,96,140,452.699,5.529,5,0.337,0.71,1.0,0.3128555273798917,0.5242015626070866,0.8840381056815846,0.9165238845863889,0.6594047700637379
EOS-2-06371,CCn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Br)cc5)n34)cc2)n1,JGDPBVMQWUCPSK-UHFFFAOYSA-N,2,1,0.435,61,508,447.3,3.894,5,0.416,0.73,1.0,0.22702350764169693,0.35499623055308066,0.1963196490987595,0.30035638407237336,0.2696739428414776
EOS-2-06372,Fc1ccc(Br)cc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cc3)n12,BBDIQVUPCROMDV-UHFFFAOYSA-N,2,1,0.365,96,558,447.271,4.817,5,0.397,0.82,1.0,0.31536563635117537,0.49717291481049963,0.9027568364060037,0.9208844493180728,0.6590449592214378
EOS-2-06373,Fc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(Br)cc3)n12,OGPIOBGYAVNTKD-UHFFFAOYSA-N,2,1,0.455,96,46,447.271,4.817,5,0.397,0.82,1.0,0.38147659516140087,0.6329329723802344,0.9117692413131382,0.9291857994654239,0.7138411520800493
EOS-2-06374,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cc(Cl)ccc5Cl)cn4)n23)cc1,WFLQWKIQVHLWMJ-UHFFFAOYSA-N,2,1,0.462,45,533,452.732,6.481,5,0.314,0.84,1.0,0.3607703378795148,0.6915650058255088,0.9720546912480296,0.9922040984168323,0.7541485333424713
EOS-2-06375,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)cc5Cl)nc4)n23)cc1,PJHFXQZPIFSPLG-UHFFFAOYSA-N,2,1,0.462,83,533,452.732,6.481,5,0.314,0.85,1.0,0.38837296963881845,0.7016225755602769,0.9720632581728462,0.9920070591460489,0.7635164656294976
EOS-2-06376,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4Br)n23)cc1,DPZFTVDWXRWVIT-UHFFFAOYSA-N,2,1,0.833,48,17,447.239,4.734,4,0.428,0.85,1.0,0.994328695771366,0.9822578987046809,0.9706497155780961,0.9593842094441779,0.9766551298745803
EOS-2-06383,Fc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1OC(F)(F)F,ZQXACTGMBGDEGY-UHFFFAOYSA-N,2,1,0.724,48,40,452.795,5.104,4,0.381,0.77,1.0,0.9817524501404976,0.992598176958399,0.9955794667945994,0.994560002741416,0.991122524158728
EOS-2-06384,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)c1,FVHGUNCIQPEYMH-UHFFFAOYSA-N,2,1,0.407,51,379,452.812,3.549,5,0.373,0.71,1.0,0.8384534987320952,0.8629891714070317,0.6328987046809678,0.6786889178260571,0.753257573161538
EOS-2-06385,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5cc(Cl)ccc5F)n34)nc2)cn1,JUJZOIRKHIEBSW-UHFFFAOYSA-N,2,1,0.427,73,969,452.812,3.549,5,0.399,0.71,1.0,0.7509766294291002,0.8686947433349325,0.6760160372832568,0.7206411486532794,0.7540821396751423
EOS-2-06386,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nc2F)nc1,XVFMAMUYXSSTJT-UHFFFAOYSA-N,2,1,0.435,46,223,452.812,3.549,5,0.373,0.69,1.0,0.7175656226440956,0.7202727708861627,0.5280738126242204,0.5844099102186279,0.6375805290932767
EOS-2-06387,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2F)nc1,HRDSHIKXFMDNJP-UHFFFAOYSA-N,2,1,0.422,46,775,452.812,3.549,5,0.373,0.63,1.0,0.8677181139058323,0.7823315742581043,0.6066924816667809,0.655352614625454,0.7280236961140429
EOS-2-06388,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)nc1,WBUXKTUBKZOXHA-UHFFFAOYSA-N,2,1,0.517,73,82,452.812,3.549,5,0.399,0.69,1.0,0.8181841546158591,0.9413851004043589,0.5873826331300116,0.6726835035295731,0.7549088479199506
EOS-2-06389,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc(F)c1Cl,GZMCGTKGQQGKHO-UHFFFAOYSA-N,2,1,0.494,51,969,452.812,3.549,5,0.373,0.66,1.0,0.8930590775135357,0.9341803166335412,0.802403879103557,0.804468507984374,0.858527945308752
EOS-2-06390,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)nc1,XCJRJZHQMOUHHP-UHFFFAOYSA-N,2,1,0.524,73,82,452.812,3.549,5,0.399,0.72,1.0,0.8965458159139196,0.9596240833390446,0.6299174148447674,0.6959769721060928,0.795516071550956
EOS-2-06391,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)nc1,GMJUGSWRUWBZCP-UHFFFAOYSA-N,2,1,0.518,73,82,452.812,3.549,5,0.399,0.69,1.0,0.8801915564389007,0.882170516071551,0.6329072716057844,0.6786974847508739,0.7684917072167774
EOS-2-06392,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)nn2)c1,LXAVFKUIYVYBAD-UHFFFAOYSA-N,2,1,0.449,54,469,452.812,3.549,5,0.399,0.7,0.926,0.5989565485573298,0.6475224453430196,0.710206634226578,0.7676307312727023,0.6810790898499074
EOS-2-06393,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)nc1,VESAUTSJLIORFJ-UHFFFAOYSA-N,2,1,0.523,73,10,452.812,3.549,5,0.399,0.6,1.0,0.7656003700911521,0.9260674388321568,0.5905780960866287,0.7015112055376602,0.7459392776368995
EOS-2-06394,Fc1cncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cnn2)n1,CGBOGMNKUIGRJH-UHFFFAOYSA-N,2,1,0.535,73,391,452.812,3.549,5,0.399,0.61,1.0,0.9284833116304572,0.9645928997327119,0.7601004043588514,0.7980176135974231,0.8627985573298609
EOS-2-06395,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cnc1F,TVNHHOGKDUIDII-UHFFFAOYSA-N,2,1,0.467,55,208,452.812,3.549,5,0.373,0.66,0.995,0.7113203344527449,0.8185868000822425,0.7027191419368104,0.7206497155780961,0.7383189980124735
EOS-2-06396,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)ncn4)n23)c1,AWVDVQPCGZHOOK-UHFFFAOYSA-N,2,1,0.424,46,488,452.812,3.549,5,0.373,0.58,0.672,0.7740644918100199,0.7694469193338359,0.7811664724830375,0.7958159139195394,0.7801234493866082
EOS-2-06397,Fc1cc(-c2nnc3cncc(OCc4nc(-c5cccnn5)ncc4F)n23)ccc1Cl,ZDDSMYNDZVQUKW-UHFFFAOYSA-N,2,1,0.506,73,391,452.812,3.549,5,0.399,0.75,1.0,0.8587913782468645,0.94960934822836,0.6003872250017134,0.6787060516756905,0.7718735007881571
EOS-2-06398,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)ccn2)nc1,JBJVKANLMZVKJM-UHFFFAOYSA-N,2,1,0.494,73,775,452.812,3.549,5,0.399,0.6,1.0,0.7740730587348366,0.7606315536974847,0.6244003152628332,0.6668579946542389,0.7064907305873483
EOS-2-06399,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)cn1,PPFQIIUMYGGGDR-UHFFFAOYSA-N,2,1,0.518,4,208,452.812,3.549,5,0.373,0.66,1.0,0.8286272359673772,0.8821790829963676,0.7462990884791995,0.7600147351106846,0.8042800356384072
EOS-2-06400,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccnc(-c4cncnc4F)c3)n12,JCONSCNBLNIZML-UHFFFAOYSA-N,2,1,0.446,55,577,452.812,3.549,5,0.294,0.57,1.0,0.8544822150640806,0.8109194023713248,0.804314303337674,0.7958244808443561,0.8163851004043589
EOS-2-06401,Fc1ccnc(-c2nncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)c1,IMBDDWNDLHWKEP-UHFFFAOYSA-N,2,1,0.523,73,391,452.812,3.549,5,0.399,0.64,1.0,0.8655678157768487,0.9341888835583579,0.6510862860667535,0.7471729148104996,0.7995039750531149
EOS-2-06402,Fc1cc(-c2ncc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)cn2)ccn1,IITHVBPGSNDBHO-UHFFFAOYSA-N,2,1,0.465,2,242,452.812,3.549,5,0.373,0.66,1.0,0.8235127818518264,0.8336817216092112,0.7512165033239668,0.7625933794805017,0.7927510965663765
EOS-2-06403,Fc1ccncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)nn1,QTHMLKOBSYLPTL-UHFFFAOYSA-N,2,1,0.429,54,411,452.812,3.549,5,0.399,0.67,0.987,0.6298660132958673,0.6377218833527517,0.6596189431841546,0.7368326365567816,0.6660098690973888
EOS-2-06404,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccc(Cl)nn5)n4)n23)cc1,MTXAEUQNCYEMRS-UHFFFAOYSA-N,2,1,0.554,34,335,452.812,3.549,5,0.399,0.68,0.968,0.94935234048386,0.9596326502638612,0.5144095675416352,0.6234665204578165,0.7617152696867933
EOS-2-06405,Cc1ncncc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4F)n23)cnn1,VBCBXFASUYMFQE-UHFFFAOYSA-N,2,1,0.416,13,995,452.812,4.071,5,0.376,0.61,1.0,0.6659927352477555,0.7293708450414639,0.8106452607771915,0.8044770749091906,0.7526214789939004
EOS-2-06406,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5F)n34)cn2)cn1,IABQYARZGCICKH-UHFFFAOYSA-N,2,1,0.444,55,434,452.812,3.549,5,0.294,0.6,0.961,0.8523147830854636,0.8797546432732506,0.7855870056884381,0.7626019464053183,0.8200645946131176
EOS-2-06407,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nnccc5F)n34)nn2)cc1Cl,INLPXYWDIFDLKM-UHFFFAOYSA-N,2,1,0.407,54,691,452.812,3.549,5,0.399,0.68,0.994,0.7020680556507436,0.7736961140429032,0.6760246042080734,0.762610513330135,0.7285998218079638
EOS-2-06408,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nn5)n4)n23)cc1F,XRGRSANBMUUDMB-UHFFFAOYSA-N,2,1,0.506,73,391,452.812,3.549,5,0.399,0.7,1.0,0.7995767939140566,0.9109639503803715,0.692284627510109,0.7471814817353163,0.7875017133849633
EOS-2-06409,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cn2)cn1,OXDYHVGKRJMPEO-UHFFFAOYSA-N,2,1,0.456,55,85,452.812,3.549,5,0.399,0.68,1.0,0.7509851963539168,0.8473973682406963,0.662446028373655,0.690245699403742,0.7377685730930026
EOS-2-06410,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2F)cn1,AZWMYWWASRWGFY-UHFFFAOYSA-N,2,1,0.374,46,94,452.812,3.549,5,0.373,0.61,1.0,0.7300219313275307,0.7341683229387979,0.6703447330546227,0.7041241176067439,0.7096647762319237
EOS-2-06411,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)cn1,QCHAGAJMOQMGRD-UHFFFAOYSA-N,2,1,0.536,73,212,452.812,3.549,5,0.399,0.59,1.0,0.8078952779110411,0.9485299157014598,0.6839061750394079,0.7283942156123638,0.7921813960660681
EOS-2-06412,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)nn4)n23)cc1,JECXNVHROBGLSV-UHFFFAOYSA-N,2,1,0.5,22,121,452.812,3.96,5,0.369,0.79,1.0,0.5052515249126174,0.7434548694400658,0.789613460352272,0.7980261805222397,0.7090865088067988
EOS-2-06413,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nn2)cnc1F,IFOUVXBNCOWQOQ-UHFFFAOYSA-N,2,1,0.427,54,411,452.812,3.549,5,0.373,0.77,0.525,0.7418614214241656,0.7064200534576108,0.7387002261668152,0.7600233020355014,0.7367512507710232
EOS-2-06414,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)cc1F,YBFRZISXJXBANG-UHFFFAOYSA-N,2,1,0.477,2,434,452.812,3.549,5,0.373,0.61,1.0,0.8129326297032418,0.8821876499211843,0.7601089712836681,0.7497258584058666,0.8012387773284901
EOS-2-06415,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(-c5cnccn5)n4)n23)ccc1Cl,LUICNBYZFWZJBD-UHFFFAOYSA-N,2,1,0.512,73,756,452.812,3.549,5,0.399,0.6,1.0,0.8930676444383524,0.965492426838462,0.6155164142279488,0.6817473099856076,0.7889559488725927
EOS-2-06416,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)cn1,DMDGYFOOERAWAX-UHFFFAOYSA-N,2,1,0.422,55,379,452.812,3.549,5,0.294,0.67,1.0,0.8208313343842094,0.859939346172298,0.6360170653142349,0.6668665615790556,0.7459135768624494
EOS-2-06417,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nc2F)cn1,LILKFDCYXZVNJS-UHFFFAOYSA-N,2,1,0.429,46,959,452.812,3.549,5,0.294,0.68,0.999,0.8523233500102803,0.7651377561510521,0.7488006305256665,0.7368412034815982,0.7757757350421493
EOS-2-06418,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2)cn1,POVJTNAIRQZSRN-UHFFFAOYSA-N,2,1,0.471,73,379,452.812,3.549,5,0.294,0.67,1.0,0.9342317181824412,0.9150932081420053,0.6730947159207731,0.6817558769104243,0.801043879788911
EOS-2-06419,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cncnc5Cl)c(F)n4)n23)n1,UQENGZAXCMDDKL-UHFFFAOYSA-N,2,1,0.415,46,223,452.812,3.549,5,0.294,0.64,1.0,0.7020766225755602,0.6816016722637243,0.6894232746213419,0.7069340689466109,0.6950089096018094
EOS-2-06420,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cnccc5F)ncn4)n23)c(Cl)n1,JPTOBGHMWMGHGQ-UHFFFAOYSA-N,2,1,0.404,46,488,452.812,3.549,5,0.373,0.58,0.988,0.7387002261668152,0.6719553149201563,0.7463076554040162,0.7748440819683367,0.732951819614831
EOS-2-06421,Fc1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)cc1-c1cncnc1,DGXAYZIZOUVWFB-UHFFFAOYSA-N,2,1,0.456,73,817,452.812,3.549,5,0.373,0.71,1.0,0.8802001233637173,0.8998954835172367,0.7439089164553492,0.767639298197519,0.8229109553834556
EOS-2-06422,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ncn2)cc1F,PRNVKOKZYFUHDY-UHFFFAOYSA-N,2,1,0.411,44,488,452.812,3.549,5,0.399,0.6,0.993,0.6660013021725721,0.6915735727503255,0.7102152011513947,0.760031868960318,0.7069554862586526
EOS-2-06423,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)cn1,PTNRYTYDSGTJLM-UHFFFAOYSA-N,2,1,0.368,46,157,452.812,3.549,5,0.294,0.69,1.0,0.6660098690973888,0.6767185251182236,0.6329158385306011,0.6756305256665067,0.66281868960318
EOS-2-06424,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c(F)c1,BURQACYJSSNXEO-UHFFFAOYSA-N,2,1,0.625,34,612,452.812,3.549,5,0.399,0.75,1.0,0.9556147625248441,0.9848793776985814,0.5648173531629086,0.7368497704064149,0.8105403159481873
EOS-2-06425,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)cn2)cnc1F,BETADUFZSVWKRN-UHFFFAOYSA-N,2,1,0.449,55,434,452.812,3.549,5,0.294,0.7,0.992,0.8857172229456515,0.8902576930984853,0.7601175382084847,0.7420156260708656,0.8195270200808717
EOS-2-06426,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)nc1F,YBYPKYRORZSJLR-UHFFFAOYSA-N,2,1,0.419,46,223,452.812,3.549,5,0.373,0.63,0.966,0.6475224453430196,0.6964395860461928,0.5842471386471112,0.6322904530189843,0.640124905763827
EOS-2-06427,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)nc1,LWXBOOREASRVEX-UHFFFAOYSA-N,2,1,0.562,46,842,452.812,3.549,5,0.399,0.55,0.727,0.8655763827016654,0.7478668357206497,0.6975532862723597,0.7444314988691659,0.7638570008909602
EOS-2-06428,Fc1cccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)c1,YOBBGNSZIIUFRJ-UHFFFAOYSA-N,2,1,0.562,34,612,452.812,3.549,5,0.399,0.79,1.0,0.8235213487766432,0.9724230690151463,0.5448564183400727,0.7179939688849291,0.7646987012541978
EOS-2-06429,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)ncn4)n23)c1F,LMWVPWCPPLBCLS-UHFFFAOYSA-N,2,1,0.419,46,488,452.812,3.549,5,0.373,0.62,0.4,0.8208399013090261,0.7737046809677198,0.7855955726132547,0.7889366732917552,0.792269207045439
EOS-2-06430,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(F)n2)nc1,FJAWMXPXGWNSND-UHFFFAOYSA-N,2,1,0.471,73,775,452.812,3.549,5,0.373,0.66,1.0,0.8857257898704681,0.8687033102597491,0.6095281337810979,0.6553611815502707,0.7548296038653965
EOS-2-06431,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)nn2)c1,ZRHDXWYHLOGUOP-UHFFFAOYSA-N,2,1,0.438,54,411,452.812,3.549,5,0.399,0.68,0.377,0.6327016654101844,0.652645466383387,0.648207799328353,0.7206582825029128,0.6635533034062093
EOS-2-06432,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ccn2)cn1,PFERFHWQCBDBMA-UHFFFAOYSA-N,2,1,0.444,73,379,452.812,3.549,5,0.294,0.64,1.0,0.779787197587554,0.8148430539373587,0.6482163662531698,0.6756390925913234,0.7296214275923515
EOS-2-06433,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cc5F)nn4)n23)n1,VYCCIHBEOJVPPY-UHFFFAOYSA-N,2,1,0.44,54,670,452.812,3.549,5,0.373,0.73,0.967,0.6272274004523336,0.6816102391885409,0.5613648824617915,0.646922760605853,0.6292813206771297
EOS-2-06434,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1cncnc1,QRVINTMFGNGSAS-UHFFFAOYSA-N,2,1,0.465,51,379,452.812,3.549,5,0.373,0.65,1.0,0.9218439448975396,0.8876019464053183,0.7286083887327804,0.7600404358851347,0.8245236789801933
EOS-2-06435,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5nc(Cl)ncc5F)n34)c2)cn1,KEBLPPJYTYQXER-UHFFFAOYSA-N,2,1,0.378,46,157,452.812,3.549,5,0.294,0.72,1.0,0.6563549448290041,0.6866218902062915,0.6482249331779865,0.67564765951614,0.6667123569323555
EOS-2-06436,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cnn2)nn1,QVBMGMMGCFRXHV-UHFFFAOYSA-N,2,1,0.554,34,659,452.812,3.549,5,0.399,0.65,1.0,0.9485299157014598,0.9786340895072305,0.7556884380782675,0.7980347474470564,0.8702217976835036
EOS-2-06437,Fc1cc(F)cc(-c2nnc3cncc(OCc4ncc(-c5ccc(Cl)nc5)nn4)n23)c1,FBKHVDVTEBAPHN-UHFFFAOYSA-N,2,1,0.536,73,756,452.812,3.549,5,0.373,0.68,1.0,0.6387413474059351,0.8032348708107737,0.6536991981358372,0.7393941470769653,0.7087673908573778
EOS-2-06438,Fc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5cncc(Cl)c5)n34)n2)nc1,VNWCGWPOIVGHIS-UHFFFAOYSA-N,2,1,0.444,73,930,452.812,3.549,5,0.399,0.66,0.998,0.662908642313755,0.782340141182921,0.5580923171818244,0.6352803097800014,0.6596553526146254
EOS-2-06439,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c(F)c2)nc1,GCASDJBEBXFXLQ-UHFFFAOYSA-N,2,1,0.483,73,82,452.812,3.549,5,0.399,0.7,1.0,0.865584949626482,0.8999040504420533,0.6537077650606539,0.6787146186005072,0.7744778459324241
EOS-2-06440,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)ncn1,YGONXWPGRBSJID-UHFFFAOYSA-N,2,1,0.489,73,212,452.812,3.549,5,0.373,0.62,1.0,0.7566136659584676,0.9187170173394559,0.702727708861627,0.7497344253306834,0.7819482043725584
EOS-2-06441,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)nc1,RZOCYOQRTSIYNE-UHFFFAOYSA-N,2,1,0.368,46,379,452.812,3.549,5,0.373,0.63,1.0,0.6443955177849359,0.6233637173600165,0.5809317387430608,0.6381930642176684,0.6217210095264204
EOS-2-06442,COc1ncc(Oc2cncc3nnc(-c4ccc(-c5ncon5)c(OC)n4)n23)cc1Cl,KHOSMQPBKUIFLS-UHFFFAOYSA-N,2,1,0.383,49,896,452.818,3.094,5,0.375,0.55,0.813,0.5677900760742923,0.4787797272291138,0.15728873963402099,0.10104687821259681,0.326226355287506
EOS-2-06443,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2)cc1F,ANFUAGFOOFIOAV-UHFFFAOYSA-N,2,1,0.545,83,163,452.823,6.321,5,0.32,0.79,1.0,0.9592557055719279,0.982849016517031,0.9925125077102324,0.9967702693441163,0.982846874785827
EOS-2-06444,Fc1cc(Cl)cc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,PSZAOGHPAFVQFN-UHFFFAOYSA-N,2,1,0.595,83,163,452.823,6.321,5,0.32,0.78,1.0,0.9605236104447947,0.9854105270372148,0.9919899252964156,0.9968816393667329,0.9837014255362896
EOS-2-06445,Fc1ccc(F)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)c1,BBQXWKXWJVHWMW-UHFFFAOYSA-N,2,1,0.545,83,163,452.823,6.321,5,0.32,0.78,1.0,0.9647899390034953,0.9902679734082653,0.9918185868000823,0.9968902062915496,0.9859416763758482
EOS-2-06446,Fc1ccc(F)c(-c2ccc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)cc2)c1,BJRQZHVMJVTPFB-UHFFFAOYSA-N,2,1,0.553,83,236,452.823,6.321,5,0.32,0.83,1.0,0.8762336371736001,0.9496179151531766,0.9888372969638819,0.9955794667945994,0.9525670790213145
EOS-2-06447,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)c(F)c1,CYQDGCAYZPAWSX-UHFFFAOYSA-N,2,1,0.553,83,163,452.823,6.321,5,0.32,0.8,1.0,0.9665547255157289,0.9904907134534987,0.9916558152285656,0.9967788362689329,0.9863700226166816
EOS-2-06448,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5ccccc5F)cc4F)n23)ccc1Cl,IVOUGXGZHCRTBO-UHFFFAOYSA-N,2,1,0.506,57,163,452.823,6.321,5,0.32,0.8,1.0,0.9660064423274621,0.987569392091015,0.9918271537248989,0.9967874031937496,0.9855475978342814
EOS-2-06449,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cc1F,DTNBWKVBCRAVCH-UHFFFAOYSA-N,2,1,0.506,57,163,452.823,6.321,5,0.32,0.78,1.0,0.9164724830374888,0.9612689329038449,0.9918357206497156,0.9965903639229662,0.9665418751285039
EOS-2-06450,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)cc2)cc1F,JUTXZTYDPSRTRT-UHFFFAOYSA-N,2,1,0.71,57,853,452.823,6.321,5,0.32,0.81,1.0,0.9751559180316633,0.9845452676307312,0.9932235624700158,0.9974813241038997,0.9876015180590776
EOS-2-06451,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)c(F)c4)n23)c(F)c1,QCYGWKXCMHCESN-UHFFFAOYSA-N,2,1,0.545,83,163,452.823,6.321,5,0.32,0.83,1.0,0.9586303200603111,0.9804417106435473,0.9915016105818656,0.9967959701185662,0.9818424028510726
EOS-2-06452,Fc1ccc(Oc2ccc(F)cc2-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,ULSQSTWNNLHMKN-UHFFFAOYSA-N,2,1,0.4,83,533,452.823,6.321,5,0.32,0.78,1.0,0.6901771640052087,0.9022171201425536,0.989299910903982,0.9958621753135495,0.8943890925913234
EOS-2-06453,Fc1ccc(Oc2cc(Cl)ccc2-c2cncc3nnc(-c4cc(F)ccc4F)n23)cc1,JHXZLTLEOUBEMF-UHFFFAOYSA-N,2,1,0.391,83,533,452.823,6.321,5,0.32,0.74,1.0,0.6160475635665822,0.8599479130971147,0.9893084778287986,0.9958707422383661,0.8652936741827153
EOS-2-06454,Fc1ccc(Cl)cc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,ISLFAGHLCDLEPP-UHFFFAOYSA-N,2,1,0.397,96,680,452.827,5.645,5,0.352,0.76,0.92,0.3722071825097663,0.6964481529710095,0.9762524844081968,0.9791224042217805,0.7560075560276882
EOS-2-06455,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(-c5ccccn5)n4)n23)cc1,CJMPQLTWZNGJIC-UHFFFAOYSA-N,2,1,0.35,96,140,452.827,5.588,5,0.357,0.74,1.0,0.43975738468919195,0.7478754026454664,0.984759440751148,0.979807758207114,0.7880499965732302
EOS-2-06456,Fc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4cnc(Cl)cn4)cc3)n12,BOCVHMJSMAMLSZ-UHFFFAOYSA-N,2,1,0.373,96,558,452.827,5.645,5,0.352,0.78,1.0,0.4467051607155096,0.752295935850867,0.9805188129668974,0.9828661503666644,0.7905965149749846
EOS-2-06457,FC(F)(F)c1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1,CFWBUARUDFSVNP-UHFFFAOYSA-N,2,1,0.443,96,46,452.827,5.588,5,0.357,0.84,1.0,0.5077959015831677,0.8109279692961414,0.9916643821533823,0.9898139263929819,0.8250505448564183
EOS-2-06458,FC(F)(F)c1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,JKGKUTVHLUOOJC-UHFFFAOYSA-N,2,1,0.4,96,46,452.827,5.588,5,0.357,0.8,1.0,0.4654752929888287,0.7908727983003221,0.9820951271331643,0.972380234391063,0.8027058632033446
EOS-2-06459,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nc5)cn4)n23)cc1,IQODNAZTRRMECG-UHFFFAOYSA-N,2,1,0.397,96,680,452.827,5.588,5,0.334,0.84,1.0,0.4397659516140086,0.6670121993009389,0.9933263655678157,0.9907734219724488,0.772719484613803
EOS-2-06460,Fc1cccc(Cl)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,IXFUOQCWVIMPLB-UHFFFAOYSA-N,2,1,0.408,45,680,452.827,5.645,5,0.352,0.79,0.998,0.36765814543211567,0.6915821396751423,0.9735624700157631,0.9769035706942636,0.7524265814543212
EOS-2-06461,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)o1,GGSMSGOXAVBGPP-UHFFFAOYSA-N,2,1,0.726,43,96,452.833,4.221,5,0.377,0.79,1.0,0.9612089644301282,0.9109725173051881,0.7286169556575971,0.6756562264409568,0.8191136659584676
EOS-2-06462,COc1ccc(-c2nocc2COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cn1,XUOZOFJVXPBONH-UHFFFAOYSA-N,2,1,0.548,59,89,452.833,4.221,5,0.377,0.74,1.0,0.7595778219450346,0.7908813652251387,0.7534953053252005,0.6932869577136591,0.7493103625522582
EOS-2-06463,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5Cl)n34)cc2)o1,NDJGEOCDQSOVEZ-UHFFFAOYSA-N,2,1,0.561,43,178,452.833,4.221,5,0.377,0.76,1.0,0.9258104310876568,0.8849119320128846,0.7077479268041944,0.6697707490919059,0.7970602597491604
EOS-2-06464,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1ncno1,WERQZDKFBZDQGB-UHFFFAOYSA-N,2,1,0.494,97,332,452.833,4.221,5,0.377,0.75,1.0,0.8912086217531355,0.7434634363648824,0.8043228702624906,0.7547375094236173,0.7984331094510315
EOS-2-06465,COc1cc(-c2nnc3cncc(OCc4coc(-c5ccc(F)cn5)n4)n23)ccc1Cl,UQGDFYCUGZRPQG-UHFFFAOYSA-N,2,1,0.511,24,67,452.833,4.221,5,0.377,0.72,1.0,0.8384620656569118,0.8506356658213967,0.6760331711328902,0.6291035569871839,0.7485586148995957
EOS-2-06466,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccc1-c1ncon1,SHRUYIBLJAMKEZ-UHFFFAOYSA-N,2,1,0.536,16,293,452.833,4.221,5,0.377,0.71,1.0,0.9060979370845041,0.7779710095264204,0.8043314371873073,0.7574189568912343,0.8114548351723665
EOS-2-06467,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1cocn1,NYVULKPIJIPIBM-UHFFFAOYSA-N,2,1,0.573,49,703,452.833,4.221,5,0.377,0.69,0.998,0.8181927215406758,0.7110033582345281,0.718019669659379,0.6640309094647385,0.7278116647248304
EOS-2-06468,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)c2)o1,OQACRYXYOISFLU-UHFFFAOYSA-N,2,1,0.585,43,96,452.833,4.221,5,0.377,0.73,1.0,0.9284918785552738,0.89991261736687,0.7077564937290111,0.6668751285038722,0.8007590295387567
EOS-2-06469,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1-c1ncno1,XOICUYVJXISVIW-UHFFFAOYSA-N,2,1,0.658,59,96,452.833,4.221,5,0.377,0.78,1.0,0.9459769721060928,0.8071670893016243,0.8375968062504283,0.7772171201425536,0.8419894969501747
EOS-2-06470,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)ccc1-c1ncno1,MOTNJIZLMCGVBC-UHFFFAOYSA-N,2,1,0.522,59,383,452.833,4.221,5,0.377,0.73,1.0,0.8721900486601329,0.7606401206223015,0.8235727503255431,0.7701751079432527,0.8066445068878075
EOS-2-06471,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1-c1ncco1,MESHLRPETXJRRY-UHFFFAOYSA-N,2,1,0.573,49,703,452.833,4.221,5,0.377,0.66,0.998,0.8208484682338428,0.6767270920430403,0.6624545952984716,0.6055188129668974,0.691387242135563
EOS-2-06472,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)n4)n23)ccc1-c1ccno1,GDPOKGJBQWRICZ-UHFFFAOYSA-N,2,1,0.517,97,83,452.833,4.221,5,0.353,0.62,1.0,0.6721095195668563,0.6767356589678569,0.7764889315331369,0.6987012541977932,0.7060088410664108
EOS-2-06473,COc1cc(-c2nnc3cncc(Oc4cc(F)cc(Cl)c4)n23)ccc1-c1nc(C)no1,JNMNJVMTDDWXCB-UHFFFAOYSA-N,2,1,0.518,13,209,452.833,4.743,5,0.377,0.72,1.0,0.802583784524707,0.7110119251593447,0.7001833321910766,0.6498697827427866,0.7159122061544787
EOS-2-06474,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ncon1,MAIABCASYTZJHP-UHFFFAOYSA-N,2,1,0.693,59,718,452.833,4.221,5,0.377,0.73,1.0,0.9493609074086766,0.8263827016654102,0.8217651291892263,0.7652319923240354,0.8406851826468371
EOS-2-06475,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cc4F)n23)ccc1Cl,UXUISBHFDXFCNK-UHFFFAOYSA-N,2,1,0.542,16,67,452.833,4.221,5,0.377,0.76,1.0,0.945120279624426,0.865584949626482,0.8392930573641286,0.7910527037214722,0.8602627475841272
EOS-2-06476,COc1cc(-c2nnc3cncc(OCc4nnc(-c5ccccc5F)o4)n23)ccc1Cl,KMXSCVZYAJNICN-UHFFFAOYSA-N,2,1,0.494,34,372,452.833,4.221,5,0.377,0.78,1.0,0.8634860530463985,0.9046501267904873,0.6360256322390515,0.6438643684463026,0.76200654513056
EOS-2-06477,COc1cc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)no4)n23)ccc1Cl,TUUKSTUSGKQMNL-UHFFFAOYSA-N,2,1,0.484,97,67,452.833,4.221,5,0.353,0.72,1.0,0.8655935165512988,0.8506442327462134,0.7535038722500171,0.6987098211226098,0.7921128606675347
EOS-2-06478,COc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(F)cn5)no4)n23)ccc1Cl,NMWXKUCJVFOVBM-UHFFFAOYSA-N,2,1,0.506,24,67,452.833,4.221,5,0.377,0.68,1.0,0.9193081351518059,0.8715989308477828,0.7311527654033309,0.6932955246384758,0.8038388390103488
EOS-2-06479,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1nnco1,AIINDYXRRKZHIY-UHFFFAOYSA-N,2,1,0.667,43,96,452.833,4.221,5,0.377,0.74,1.0,0.9605321773696114,0.8821962168460009,0.8360290590089782,0.7772256870673703,0.8639957850729901
EOS-2-06480,COc1cc(-c2nnc3cncc(OCc4ccc(-c5conn5)c(F)c4)n23)ccc1Cl,AMBRFZRIOKUXSX-UHFFFAOYSA-N,2,1,0.585,43,909,452.833,4.221,5,0.377,0.73,1.0,0.9152217120142554,0.8741690082927832,0.8655506819272154,0.8271708587485436,0.8705280652456994
EOS-2-06481,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1nnco1,BAEJOSWPQZJNQN-UHFFFAOYSA-N,2,1,0.5,43,332,452.833,4.221,5,0.377,0.71,1.0,0.8982420670276198,0.8225789870468097,0.8006048248920568,0.7547460763484339,0.8190429888287301
EOS-2-06482,OCc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cc2)no1,FWDNEAFAYKRLGQ-UHFFFAOYSA-N,2,1,0.554,43,178,452.833,3.705,5,0.415,0.73,1.0,0.8762422040984168,0.7388544308135152,0.6975618531971763,0.7069426358714276,0.7549002809951341
EOS-2-06483,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1-c1nnco1,WBYIBFLGJGNPAE-UHFFFAOYSA-N,2,1,0.667,43,96,452.833,4.221,5,0.377,0.75,1.0,0.9624940031526283,0.8822047837708177,0.8360376259337948,0.7748526488931533,0.8638972654375985
EOS-2-06484,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2F)o1,LCJIAGYUXTUCTJ-UHFFFAOYSA-N,2,1,0.462,58,237,452.837,3.354,5,0.357,0.53,1.0,0.7238537454595299,0.6143341786032486,0.27085189500376944,0.30036495099719007,0.4773511925159345
EOS-2-06485,COc1cc(-c2nnc3cncc(Oc4ncc(-c5nncn5C)cc4F)n23)ccc1Cl,XFPFTSJMUZGBEG-UHFFFAOYSA-N,2,1,0.422,36,706,452.837,3.575,5,0.398,0.77,1.0,0.629874580220684,0.7606486875471181,0.5245528065245699,0.477460420807347,0.5981341237749298
EOS-2-06486,CCc1noc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)n1,ARKMDJHVLSXIKQ-UHFFFAOYSA-N,2,1,0.455,51,196,452.837,3.565,5,0.381,0.72,1.0,0.6841631827839079,0.6866304571311083,0.19290144609690904,0.24373757795901582,0.4518581659927352
EOS-2-06487,OCc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nn1,FKJWAUBFQYOIDP-UHFFFAOYSA-N,2,1,0.5,4,10,452.837,2.631,5,0.418,0.6,1.0,0.46780549653896236,0.6143427455280652,0.42235796038653967,0.4803817421698307,0.4962219861558495
EOS-2-06488,N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)o1,QNDJIUARPOZWRU-UHFFFAOYSA-N,2,1,0.522,15,628,452.837,3.063,5,0.378,0.54,1.0,0.6689740250839559,0.5858748543622782,0.5211260365979028,0.49573367144129943,0.567927146871359
EOS-2-06489,COc1cc(-c2cncc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)c2)n[nH]1,ZLSVLWLDJWLALZ-UHFFFAOYSA-N,2,1,0.429,2,980,452.837,3.352,5,0.417,0.57,1.0,0.7175741895689124,0.6475310122678364,0.6648790350215886,0.6149338633404153,0.6612295250496882
EOS-2-06490,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)cn2)o1,AKLGCKHQZCNEGH-UHFFFAOYSA-N,2,1,0.532,58,981,452.837,3.354,5,0.357,0.61,0.996,0.7968525118223563,0.7651463230758687,0.29690391337125627,0.33496676033171136,0.5484673771502981
EOS-2-06491,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)c2)no1,BXZFJNQCMZDTBE-UHFFFAOYSA-N,2,1,0.479,87,131,452.837,3.354,5,0.357,0.65,1.0,0.6475310122678364,0.6094424645329313,0.2969124802960729,0.32520903296552667,0.4697737475155918
EOS-2-06492,COc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)n[nH]1,DQYLFYWCRANLMQ-UHFFFAOYSA-N,2,1,0.5,47,772,452.837,3.352,5,0.417,0.6,1.0,0.8051281611952573,0.647539579192653,0.5414125145637722,0.5160030155575355,0.6275208176273046
EOS-2-06493,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2F)o1,VPLHGPCEMRDLQJ-UHFFFAOYSA-N,2,1,0.448,31,237,452.837,3.354,5,0.357,0.56,0.993,0.6812161606469742,0.6094510314577479,0.22414502090329655,0.26769926667123567,0.44562786991981357
EOS-2-06494,Cc1noc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)c2)n1,ORRRAENFMQUQBU-UHFFFAOYSA-N,2,1,0.469,65,858,452.837,3.354,5,0.357,0.64,1.0,0.6992409704612432,0.6045764512370639,0.34851106846686314,0.3769960934822836,0.5073311459118635
EOS-2-06495,Cc1noc(-c2cncc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)n1,MWOZFHQQNFYYFZ-UHFFFAOYSA-N,2,1,0.459,87,858,452.837,3.354,5,0.382,0.64,1.0,0.6387499143307518,0.5471951888150229,0.31141628401069155,0.347765746007813,0.46128178329106984
EOS-2-06496,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2F)no1,YIXAUDKKUBDYCK-UHFFFAOYSA-N,2,1,0.432,18,773,452.837,3.354,5,0.357,0.64,1.0,0.6841717497087245,0.6094595983825646,0.24577650606538276,0.29720375573983965,0.4591529024741279
EOS-2-06497,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc2F)n1,JEUQOGMXGYMFQB-UHFFFAOYSA-N,2,1,0.439,31,814,452.837,3.354,5,0.357,0.67,1.0,0.6075234733739977,0.5472037557398396,0.22415358782811323,0.2731820985539031,0.41301572887396343
EOS-2-06498,COc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)nc2)n[nH]1,DFZLXXLBPIMPMH-UHFFFAOYSA-N,2,1,0.553,46,294,452.837,3.352,5,0.417,0.65,1.0,0.7328918511411144,0.6475481461174697,0.5381313823589884,0.5057655404016175,0.6060842300047975
EOS-2-06499,Cn1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2F)c1=O,FZTKGZUCQLHMLT-UHFFFAOYSA-N,2,1,0.494,16,55,452.837,2.647,5,0.407,0.57,1.0,0.6272359673771503,0.5657254471934754,0.4585960523610445,0.5222825714481529,0.5434600095949558
EOS-2-06500,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)n2)n1,LVAZCIMMMQFWSJ-UHFFFAOYSA-N,2,1,0.529,58,271,452.837,3.354,5,0.357,0.71,1.0,0.7537608799945171,0.7064286203824275,0.27505825508875337,0.30680727845932426,0.5105137584812555
EOS-2-06501,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)ccc1-c1ncnn1C,SAFLOSWVFZLBPX-UHFFFAOYSA-N,2,1,0.535,13,573,452.837,3.575,5,0.398,0.69,0.995,0.5514015489000068,0.5242101295319033,0.40434171749708725,0.40188301007470356,0.4704591015009252
EOS-2-06502,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cn2)o1,XHLTWVCMWLEUSO-UHFFFAOYSA-N,2,1,0.538,58,981,452.837,3.354,5,0.357,0.63,0.957,0.7684788568295524,0.7567079021314509,0.3298094715920773,0.3477743129326297,0.5506926358714276
EOS-2-06503,COc1ccccc1-n1nnnc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,JXQGIANCXGKQTJ-UHFFFAOYSA-N,2,1,0.489,34,612,452.837,3.147,5,0.387,0.69,1.0,0.4562144472620108,0.7247704064149133,0.3485196353916798,0.4368531971763416,0.49158942156123636
EOS-2-06504,Cc1noc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)ccn2)n1,PBNKGIXBXPTOED-UHFFFAOYSA-N,2,1,0.495,75,530,452.837,3.354,5,0.382,0.69,1.0,0.6992495373860599,0.5906808991844288,0.30767253786580767,0.334975327256528,0.4831445754232061
EOS-2-06505,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cc2F)n1,ZINWVZUGXJHJNW-UHFFFAOYSA-N,2,1,0.506,37,795,452.837,3.354,5,0.357,0.71,1.0,0.8079038448358578,0.7341768898636145,0.2316667808923309,0.2794273867452539,0.5132937255842642
EOS-2-06506,O=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)[nH]1,DRLOIHRLMQHDSI-UHFFFAOYSA-N,2,1,0.515,84,672,452.837,2.679,5,0.405,0.61,1.0,0.67521074635049,0.7110204920841615,0.534738880131588,0.5904410252895621,0.6278527859639504
EOS-2-06507,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ncnn1C,MREVEUWQMMMJNY-UHFFFAOYSA-N,2,1,0.424,13,251,452.837,3.575,5,0.398,0.65,0.993,0.47023850318689603,0.4920156260708656,0.37882084846823383,0.3800887533411007,0.430290932766774
EOS-2-06508,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc2F)o1,PDTNIQNDHRSYON-UHFFFAOYSA-N,2,1,0.446,58,237,452.837,3.354,5,0.357,0.58,1.0,0.6961483106024261,0.6045850181618806,0.282494345829621,0.3130268658762251,0.47406363511753813
EOS-2-06509,COc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)nn2C)cn1,MLACXXGKTREWOH-UHFFFAOYSA-N,2,1,0.413,95,956,452.837,3.575,5,0.398,0.7,1.0,0.3769618257830169,0.35016448495648,0.46209992461106164,0.43686176410115823,0.40652199986292925
EOS-2-06510,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)no1,OCAFBNCNAOYFGM-UHFFFAOYSA-N,2,1,0.506,37,482,452.837,3.354,5,0.382,0.72,1.0,0.7968610787471729,0.8071756562264409,0.25647659516140087,0.3100798437392913,0.5426482934685765
EOS-2-06511,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2F)no1,YLFXKFDQFBIQRC-UHFFFAOYSA-N,2,1,0.452,18,773,452.837,3.354,5,0.357,0.56,1.0,0.6504094990062367,0.6094681653073812,0.24958022068398328,0.28521862792132135,0.4486691282297306
EOS-2-06512,COc1c(Cl)ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cn4)n23)c1F,DTUFDIQURKMTOE-UHFFFAOYSA-N,2,1,0.5,4,10,452.837,3.147,5,0.387,0.71,1.0,0.2807895277911041,0.5195325885820026,0.6067010485915976,0.5359468165307382,0.4857424953738606
EOS-2-06513,COc1ncncc1-c1cc(-c2nnc3cncc(Oc4cc(F)ccc4Cl)n23)nn1C,QRMNYXQCJJSLMP-UHFFFAOYSA-N,2,1,0.402,95,956,452.837,3.575,5,0.398,0.66,0.998,0.4053954492495374,0.4212613940100062,0.4726458090603797,0.4651497498457954,0.4411131005414297
EOS-2-06514,OCc1ccc(-c2nnc3cncc(OCc4nnn(-c5ccc(Cl)c(F)c5)n4)n23)cc1,YJWDOGNCQPTZIB-UHFFFAOYSA-N,2,1,0.522,43,612,452.837,2.631,5,0.418,0.69,1.0,0.6017579329723802,0.6377304502775684,0.49655609622369956,0.5780532520046604,0.5785244328695771
EOS-2-06515,Cn1c(-c2ccc(-c3nnc4cncc(OCc5cnccc5Cl)n34)c(F)c2)n[nH]c1=O,HRFFDYDKBNCLOO-UHFFFAOYSA-N,2,1,0.467,16,772,452.837,2.647,5,0.435,0.64,1.0,0.6243232129394832,0.5472123226646562,0.4621084915358783,0.5389795079158385,0.5431558837639641
EOS-2-06516,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2F)no1,LUTRKUWSFGTODA-UHFFFAOYSA-N,2,1,0.511,20,279,452.837,3.354,5,0.382,0.69,1.0,0.7740816256596532,0.7606572544719348,0.26363854430813516,0.310088410664108,0.5271164587759578
EOS-2-06517,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2F)o1,WLWRMVVOHKSIGS-UHFFFAOYSA-N,2,1,0.442,31,773,452.837,3.354,5,0.357,0.61,1.0,0.7084504146391611,0.5858834212870948,0.26749366047563566,0.3161623603591255,0.4694974641902543
EOS-2-06518,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)ccn2)no1,ULTDBLAXTQHVEQ-UHFFFAOYSA-N,2,1,0.468,75,359,452.837,3.354,5,0.382,0.71,1.0,0.687204441093825,0.595264203961346,0.24958878760879993,0.3003735179220067,0.4581077376464944
EOS-2-06519,COc1cncc(-c2cc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)n(C)n2)n1,PVJVUMULQCHTIQ-UHFFFAOYSA-N,2,1,0.404,13,706,452.837,3.575,5,0.398,0.59,1.0,0.49269241313138235,0.5015763141662669,0.4223665273113563,0.4082139675142211,0.45621230553080666
EOS-2-06520,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cn2)no1,SXLDMQGFBXYGSO-UHFFFAOYSA-N,2,1,0.538,65,981,452.837,3.354,5,0.357,0.66,1.0,0.7268093345212803,0.7523045027756836,0.3114248509355082,0.33498389418134467,0.5313806456034542
EOS-2-06521,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1F,CMHIGRSPSQOOEG-UHFFFAOYSA-N,2,1,0.446,31,773,452.841,2.186,5,0.357,0.57,1.0,0.5786872044410938,0.5906894661092454,0.13009732026591736,0.1997292851757933,0.37480081899801243
EOS-2-06522,CCn1nnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)c(F)c5)nc4)n23)n1,ZDOTVQYOMPHNCV-UHFFFAOYSA-N,2,1,0.389,92,185,452.841,2.626,5,0.358,0.62,0.995,0.3883815365636351,0.5195411555068192,0.08557501199369474,0.15112055376602015,0.28615456445754234
EOS-2-06523,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nc1F,ZFJZKRLBIQRRJV-UHFFFAOYSA-N,2,1,0.351,51,924,452.841,2.626,5,0.358,0.56,0.991,0.432663970940991,0.4434754300596258,0.08065759714892742,0.12141902542663285,0.26955400589404427
EOS-2-06524,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1F,JNUAIBXURINPHQ-UHFFFAOYSA-N,2,1,0.5,36,482,452.841,2.186,5,0.381,0.69,1.0,0.7300304982523473,0.7823487081077376,0.13595709684051813,0.2201699677883627,0.46712656774724143
EOS-2-06525,CCn1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2F)n1,FKFCKTNGYVQKRY-UHFFFAOYSA-N,2,1,0.396,31,62,452.841,2.626,5,0.358,0.56,1.0,0.41433931875813856,0.41687512850387226,0.08558357891851141,0.1511291206908368,0.2669817867178398
EOS-2-06526,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5nc(Cl)n(C)n5)nn4)n23)cc1F,FSMGSPSHUDEBFW-UHFFFAOYSA-N,2,1,0.461,36,404,452.841,2.452,5,0.395,0.71,1.0,0.5648259200877254,0.6475567130422863,0.08066616407374409,0.12993454869440066,0.3557458364745391
EOS-2-06527,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)nc2F)n1,NXHRUTKGNDDSSR-UHFFFAOYSA-N,2,1,0.43,31,773,452.841,2.186,5,0.282,0.55,0.135,0.5677986429991091,0.5060568158453841,0.12439174833801658,0.14116578712905214,0.33485324857789045
EOS-2-06528,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)n1,LNKFITNVYOGXQJ-UHFFFAOYSA-N,2,1,0.5,36,482,452.841,2.186,5,0.381,0.69,1.0,0.6872130080186416,0.7567164690562675,0.13596566376533478,0.2057689671715441,0.446416027002947
EOS-2-06529,Cn1nnc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)ccc2F)n1,VTPDMSOSMVFWDG-UHFFFAOYSA-N,2,1,0.494,36,404,452.841,2.186,5,0.357,0.66,1.0,0.6075320402988144,0.7388629977383319,0.10506476595161401,0.17767802069769037,0.40728445617161263
EOS-2-06530,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc2F)nn1,XNMCQZCSKTWBIE-UHFFFAOYSA-N,2,1,0.39,53,602,452.841,2.186,5,0.357,0.63,0.965,0.45160544171064354,0.44348399698444246,0.12440031526283325,0.1723151257624563,0.2979512199300939
EOS-2-06531,Cn1cnc(-c2cccc(F)c2)c1COc1cncc2nnc(-c3cc(Cl)ccc3F)n12,PPPUVJZTXDYIJQ-UHFFFAOYSA-N,2,1,0.494,34,146,452.852,4.702,5,0.386,0.78,1.0,0.6629172092385717,0.7651548900006854,0.8506785004454801,0.8872935371119183,0.7915110341991638
EOS-2-06532,Cn1cc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(-c2cccc(Cl)c2)n1,QKAIKUDIASMTAZ-UHFFFAOYSA-N,2,1,0.5,96,121,452.852,5.114,5,0.37,0.75,1.0,0.3561870331025975,0.632941539305051,0.9359793708450415,0.9422931944349257,0.7168502844219039
EOS-2-06533,Cn1c(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(=O)n1C,NOQYVVRVUIFDJK-UHFFFAOYSA-N,2,1,0.419,45,46,452.852,4.094,5,0.413,0.67,1.0,0.339901309026112,0.5805719279007607,0.7180282365841958,0.8537882941539305,0.6230724419162497
EOS-2-06534,CCn1nc(-c2ccc(F)cc2F)cc1Oc1cncc2nnc(-c3ccccc3Cl)n12,VHVDGIJDIQPPON-UHFFFAOYSA-N,2,1,0.455,34,417,452.852,5.399,5,0.357,0.67,1.0,0.5177249674456857,0.765163456925502,0.8106538277020081,0.865405044205332,0.739736824069632
EOS-2-06535,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)cc2)cn1,BQSZNZXJRSSXDF-UHFFFAOYSA-N,2,1,0.568,43,322,452.852,5.282,5,0.35,0.71,1.0,0.730039065177164,0.8716074977725995,0.9559231718182442,0.9470307038585429,0.8761501096566375
EOS-2-06536,Cn1nc(-c2ccc(F)cc2F)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,LIBRRRMEUDHHEZ-UHFFFAOYSA-N,2,1,0.577,34,372,452.852,4.702,5,0.386,0.73,1.0,0.7911469398944555,0.9341974504831746,0.8854088136522514,0.9087708176273045,0.8798810054142965
EOS-2-06537,Cn1nc(-c2ccc(Cl)c(F)c2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,ZPLARZIYLKYQEY-UHFFFAOYSA-N,2,1,0.603,34,372,452.852,4.702,5,0.386,0.74,1.0,0.8476029744362964,0.9385922829141251,0.8992358303063532,0.9143478856829552,0.8999447433349325
EOS-2-06538,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1F,YVAYJNWRQVTRDL-UHFFFAOYSA-N,2,1,0.53,34,332,452.852,4.702,5,0.386,0.74,1.0,0.8634946199712151,0.8439106298403125,0.9414964704269755,0.9437667055033925,0.8981671064354739
EOS-2-06539,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1F,XTPBFWCNDNFMJT-UHFFFAOYSA-N,2,1,0.693,59,96,452.852,4.702,5,0.386,0.72,1.0,0.9618000822424783,0.9090021245973545,0.9526591734630937,0.9491895689123432,0.9431627373038174
EOS-2-06540,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cc1-c1ccc(F)cc1,BSEODCRUQWSTAJ-UHFFFAOYSA-N,2,1,0.512,34,965,452.852,4.702,5,0.386,0.73,1.0,0.5989651154821465,0.637739017202385,0.8992443972311699,0.9229833458981564,0.7647329689534645
EOS-2-06541,CCn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1F,NYRUYBVFHMDTRX-UHFFFAOYSA-N,2,1,0.467,13,145,452.852,5.399,5,0.357,0.69,1.0,0.7208381879240627,0.7947279144678226,0.9266842574189569,0.9271383044342403,0.8423471660612706
EOS-2-06542,Cn1cccc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4Cl)n23)nc1,DMHDBUFAZAJSPT-UHFFFAOYSA-N,2,1,0.422,96,121,452.852,5.114,5,0.37,0.65,1.0,0.4950140497566993,0.7016311424850935,0.9539613460352272,0.9491981358371598,0.774951168528545
EOS-2-06543,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)cc1F,UGTMOLNRAWXSCL-UHFFFAOYSA-N,2,1,0.536,34,607,452.852,4.702,5,0.386,0.69,1.0,0.8982506339524364,0.8599564800219314,0.9470992392570763,0.9470392707833596,0.913086406003701
EOS-2-06544,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5cc(F)c(Cl)cc5F)n34)cc2)n1,OEXDTZLCAALPFN-UHFFFAOYSA-N,2,1,0.556,43,96,452.852,4.702,5,0.361,0.69,1.0,0.847611541361113,0.9069974641902543,0.9373500788157083,0.9279864299910904,0.9049863785895416
EOS-2-06545,Cn1cnc(-c2ccc(F)c(F)c2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,KPGBBDBNCSAMPQ-UHFFFAOYSA-N,2,1,0.588,34,929,452.852,4.702,5,0.386,0.67,1.0,0.9061065040093208,0.9386008498389418,0.8840466726064012,0.9054811184977041,0.9085587862380919
EOS-2-06546,FC(F)c1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)ccc1Cl,CEQQBOPVOHEKOJ-UHFFFAOYSA-N,2,1,0.554,43,521,452.852,5.147,5,0.356,0.68,1.0,0.8182012884654924,0.8148516208621753,0.973202659173463,0.9606435473922281,0.8917247789733397
EOS-2-06547,Cn1nc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1-c1ccc(Cl)cc1,NWTXVBPLSXEHAD-UHFFFAOYSA-N,2,1,0.512,34,965,452.852,4.702,5,0.386,0.75,0.999,0.5786957713659104,0.6572801727092044,0.8992529641559865,0.9240799122746899,0.7648272051264479
EOS-2-06548,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1F,NHIDRMNXGXCQQK-UHFFFAOYSA-N,2,1,0.712,59,96,452.852,4.702,5,0.386,0.65,1.0,0.9579106983757111,0.9356795284764581,0.9300424919470907,0.9271468713590569,0.9376948975395792
EOS-2-06549,Cn1nc(-c2c(F)cccc2F)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ZZDZEMJRQSMCIW-UHFFFAOYSA-N,2,1,0.577,34,372,452.852,4.702,5,0.386,0.71,1.0,0.8359091220615448,0.9386094167637585,0.8697741758618326,0.8995014049756699,0.8859485299157014
EOS-2-06550,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2F)cn1,GUGMENPPRCIROK-UHFFFAOYSA-N,2,1,0.722,59,623,452.852,4.702,5,0.386,0.72,1.0,0.8894952367898019,0.9046586937153039,0.957062572818861,0.952984716606127,0.9260503049825235
EOS-2-06551,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1F,AALNVXJJENICHL-UHFFFAOYSA-N,2,1,0.707,59,607,452.852,4.702,5,0.386,0.71,1.0,0.9467651291892263,0.9046672606401206,0.9533188266739772,0.9504317730107601,0.9387957473785211
EOS-2-06552,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1F,DMAUTFBSPIPGOC-UHFFFAOYSA-N,2,1,0.707,59,607,452.852,4.702,5,0.386,0.71,1.0,0.9451288465492427,0.9070060311150709,0.9533273935987938,0.9510914262216434,0.9391384243711878
EOS-2-06553,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1F,JRXSQKFSIMPOCI-UHFFFAOYSA-N,2,1,0.541,59,607,452.852,4.702,5,0.386,0.74,1.0,0.8982592008772531,0.859965046946748,0.9495408128298266,0.9477674593927764,0.9138831300116511
EOS-2-06554,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cc1,BYJFCHPJLJVYEP-UHFFFAOYSA-N,2,1,0.549,43,607,452.852,4.702,5,0.361,0.68,1.0,0.9374700157631417,0.8655935165512988,0.9441265163456926,0.9363648824617915,0.9208887327804811
EOS-2-06555,FC(F)n1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,YUZOCFVCPIRFPS-UHFFFAOYSA-N,2,1,0.641,43,623,452.852,5.282,5,0.35,0.71,1.0,0.7712545404701528,0.922477897333973,0.9559317387430608,0.9477760263175931,0.899360050716195
EOS-2-06556,FC(F)n1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,PIMNWYGNZRMMGR-UHFFFAOYSA-N,2,1,0.676,43,322,452.852,5.282,5,0.35,0.75,1.0,0.8260828592968268,0.9260760057569735,0.9586988554588445,0.9484271126036597,0.9148212082790762
EOS-2-06557,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)c1,GYXCTDYGAQKZSQ-UHFFFAOYSA-N,2,1,0.6,88,273,452.852,4.735,5,0.402,0.6,1.0,0.960540744294428,0.963067987115345,0.9292714687135906,0.9397745185388253,0.9481636796655473
EOS-2-06558,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1-c1ccc(F)cc1,QINULWHMQJNFKN-UHFFFAOYSA-N,2,1,0.68,34,570,452.852,4.702,5,0.386,0.74,1.0,0.6992581043108765,0.7110290590089782,0.9080254951682544,0.9261017065314234,0.8111035912548832
EOS-2-06559,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)ccc1Cl,IOLHBALJZQFIHI-UHFFFAOYSA-N,2,1,0.688,88,781,452.852,4.735,5,0.402,0.63,1.0,0.985170653142348,0.9762353505585635,0.940117195531492,0.945454389692276,0.9617443972311698
EOS-2-06560,CCn1nc(-c2ccc(F)cc2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3F)n12,YSZBBZRTVYONFQ-UHFFFAOYSA-N,2,1,0.488,34,417,452.852,5.399,5,0.357,0.69,1.0,0.5758601192515934,0.8405095606880953,0.8292526214789939,0.8733979850592831,0.7797550716194915
EOS-2-06561,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)c(Cl)n4)n23)cc1,XXMQAQLTFHHWDW-UHFFFAOYSA-N,2,1,0.523,1,676,452.852,5.147,5,0.333,0.6,1.0,0.7113289013775616,0.7156894661092454,0.9401257624563086,0.9303166335412241,0.824365190871085
EOS-2-06562,Cn1cc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccc2F)cn1,XBCJZMYCOAPFIG-UHFFFAOYSA-N,2,1,0.55,34,623,452.852,4.702,5,0.386,0.68,1.0,0.7684874237543692,0.8537540264546638,0.9471078061818929,0.9492067027619766,0.8796389897882257
EOS-2-06563,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cc1F,RQRGKYDRNNFSNW-UHFFFAOYSA-N,2,1,0.536,59,607,452.852,4.702,5,0.386,0.68,1.0,0.8930762113631691,0.8567610170653143,0.9477074909190597,0.9470478377081762,0.9111481392639298
EOS-2-06564,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1F,BQRIDOJKKBCFQW-UHFFFAOYSA-N,2,1,0.693,59,96,452.852,4.702,5,0.386,0.73,1.0,0.9599153587828113,0.9090106915221712,0.9526677403879104,0.9492152696867933,0.9427022650949215
EOS-2-06565,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1F,YDVQPQQQPIMHGH-UHFFFAOYSA-N,2,1,0.529,59,607,452.852,4.702,5,0.386,0.73,1.0,0.9218525118223563,0.8599736138715647,0.9488897265437598,0.9462853813994928,0.9192503084092934
EOS-2-06566,Cn1cc(COc2cncc3nnc(-c4ccc(F)cc4)n23)c(-c2ccc(F)c(Cl)c2)n1,WZBCLSCVNWABLF-UHFFFAOYSA-N,2,1,0.658,34,372,452.852,4.702,5,0.386,0.78,1.0,0.7712631073949695,0.890266260023302,0.9027654033308203,0.9176375848125556,0.8704830888904119
EOS-2-06567,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cn[nH]c5)c4)n23)c(Cl)c1,GKZOSJIHPFMHCR-UHFFFAOYSA-N,2,1,0.595,88,70,452.852,4.735,5,0.402,0.67,1.0,0.9709581248714961,0.967634158042629,0.9495493797546433,0.9586902885340278,0.9617079878006991
EOS-2-06568,FC(F)n1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,QWNJOLZFFWIWDD-UHFFFAOYSA-N,2,1,0.658,43,138,452.852,5.282,5,0.35,0.72,1.0,0.9137567678706051,0.9485384826262765,0.9408196833664588,0.9313189637447742,0.9336084744020287
EOS-2-06569,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1F,JMAQOLGDMPKIAX-UHFFFAOYSA-N,2,1,0.554,34,607,452.852,4.702,5,0.386,0.74,1.0,0.8079124117606744,0.847405935165513,0.9434925639092592,0.9423017613597423,0.8852781680487972
EOS-2-06570,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)cc2)n1,MIGJSARZKGWQKG-UHFFFAOYSA-N,2,1,0.667,43,138,452.852,5.282,5,0.35,0.8,1.0,0.8476201082859297,0.877038928106367,0.9447433349324926,0.9328524432869577,0.9005637036529368
EOS-2-06571,Cn1cc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(-c2ccccc2Cl)n1,CQONLRAJDAMWCL-UHFFFAOYSA-N,2,1,0.494,96,121,452.852,5.114,5,0.37,0.78,1.0,0.3376739085737784,0.647565279967103,0.9331351518059078,0.9414879035021588,0.714965560962237
EOS-2-06572,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccc2F)cn1,DDNUBSFAUPHMDX-UHFFFAOYSA-N,2,1,0.736,59,623,452.852,4.702,5,0.386,0.68,1.0,0.8895038037146186,0.9090192584469878,0.9587074223836611,0.954946542389144,0.9280442567336029
EOS-2-06573,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccc2F)cn1,YFHCZFAWVAPPNN-UHFFFAOYSA-N,2,1,0.736,59,623,452.852,4.702,5,0.386,0.69,1.0,0.8839610033582346,0.9109810842300048,0.9587159893084778,0.9549551093139607,0.9271532965526694
EOS-2-06574,Cn1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)cc1-c1ccc(Cl)cc1,WXOCROWNBPXHIP-UHFFFAOYSA-N,2,1,0.557,34,965,452.852,4.702,5,0.386,0.78,0.999,0.607540607223631,0.6526540333082037,0.8922880542800357,0.9188369542868892,0.7678299122746899
EOS-2-06575,Cn1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1-c1ccc(F)cc1,DZTIMYZNRIIIIE-UHFFFAOYSA-N,2,1,0.518,34,266,452.852,4.702,5,0.386,0.77,0.994,0.5933709135768624,0.6526626002330204,0.9016602700294702,0.922015283393873,0.7674272668083064
EOS-2-06576,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c(F)c1,VIGRNNLWQKYYHT-UHFFFAOYSA-N,2,1,0.649,59,96,452.852,4.702,5,0.386,0.72,1.0,0.9246367623877733,0.8999211842916867,0.9495579466794599,0.9470564046329929,0.9302930744979782
EOS-2-06577,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c(F)c2)cn1,DYOJDTHRYMMAGF-UHFFFAOYSA-N,2,1,0.676,59,623,452.852,4.702,5,0.386,0.8,1.0,0.8499760126105134,0.8902748269481187,0.9547323692687273,0.9510999931464601,0.911520800493455
EOS-2-06578,Cn1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1-c1ccc(F)c(F)c1,YHAMOXOZOIRVLY-UHFFFAOYSA-N,2,1,0.676,34,372,452.852,4.702,5,0.386,0.69,1.0,0.8656020834761154,0.9260845726817901,0.9088993214995545,0.9240884791995065,0.9061686142142417
EOS-2-06579,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccc(F)c(F)c2)n1,FMFLBKPASRBIJS-UHFFFAOYSA-N,2,1,0.658,34,372,452.852,4.702,5,0.386,0.77,1.0,0.7827684874237544,0.9295541772325406,0.9038619697073539,0.9188455212117058,0.8837575388938387
EOS-2-06580,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)cc1Cl,VCGYBLPZIJSPME-UHFFFAOYSA-N,2,1,0.688,88,781,452.852,4.735,5,0.402,0.67,1.0,0.9848536769241313,0.9767407991227469,0.9401343293811254,0.9462939483243095,0.9620056884380783
EOS-2-06581,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4cc[nH]n4)c(F)c3)n12,SPTFTSRSTAAQLE-UHFFFAOYSA-N,2,1,0.576,88,273,452.852,4.735,5,0.402,0.6,1.0,0.9670601740799123,0.9655009937632787,0.9331437187307244,0.942310328284559,0.9520038037146187
EOS-2-06582,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c(Cl)c2)cn1,PFZFJICUWSBVLZ-UHFFFAOYSA-N,2,1,0.5,34,623,452.852,4.702,5,0.386,0.78,1.0,0.7387087930916318,0.8225875539716263,0.9429014460969091,0.9437752724282091,0.8619932663970942
EOS-2-06583,Cn1nc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1-c1cccc(F)c1,UWCMIIDAFQGNTF-UHFFFAOYSA-N,2,1,0.46,34,266,452.852,4.702,5,0.386,0.82,1.0,0.492700980056199,0.5858919882119115,0.880414296484134,0.913217051607155,0.7180560790898499
EOS-2-06584,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2F)n1,FGTQZYMEOSUZMQ-UHFFFAOYSA-N,2,1,0.703,43,96,452.852,4.702,5,0.386,0.71,1.0,0.9285004454800905,0.9243026523199233,0.9429100130217257,0.9389178260571586,0.9336577342197245
EOS-2-06585,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c(Cl)c1,QQJFUBDTIJTDNP-UHFFFAOYSA-N,2,1,0.494,59,607,452.852,4.702,5,0.386,0.72,1.0,0.8359176889863614,0.8405181276129121,0.9454372558426427,0.9437838393530258,0.8914142279487356
EOS-2-06586,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5cc(Cl)c(F)cc5F)n34)cc2)n1,CVUXGORWFXJUDA-UHFFFAOYSA-N,2,1,0.556,43,96,452.852,4.702,5,0.361,0.71,1.0,0.8260914262216434,0.8687118771845658,0.9365190871084915,0.927994996915907,0.889829346857652
EOS-2-06587,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cc[nH]n4)c(F)c3)n12,WLKFRNFZLATYIT-UHFFFAOYSA-N,2,1,0.551,88,273,452.852,4.735,5,0.402,0.58,1.0,0.9699986292920293,0.9712494003152629,0.9331522856555411,0.9437924062778426,0.954548180385169
EOS-2-06588,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cc2F)cn1,NIUAWBNAFKMXAG-UHFFFAOYSA-N,2,1,0.556,34,623,452.852,4.702,5,0.386,0.71,1.0,0.815399904050442,0.8506527996710301,0.9513741347405935,0.9511085600712769,0.8921338496333358
EOS-2-06589,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)ccc1F,CJYVLZLIMPXMQL-UHFFFAOYSA-N,2,1,0.561,34,607,452.852,4.702,5,0.386,0.72,1.0,0.7595863888698513,0.8336902885340278,0.9422246590363923,0.9438009732026592,0.8698255774107326
EOS-2-06590,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4Cl)n23)c1,UMLDHOUDXCDYOO-UHFFFAOYSA-N,2,1,0.523,59,607,452.852,4.702,5,0.361,0.76,1.0,0.744894112809266,0.7434720032896991,0.9477160578438764,0.9423188952093756,0.8446002672880543
EOS-2-06591,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c(F)c1,YMQMNHUYYARUNS-UHFFFAOYSA-N,2,1,0.649,59,96,452.852,4.702,5,0.386,0.69,1.0,0.9285090124049071,0.8999297512165033,0.9495665136042766,0.9463025152491261,0.9310769481187033
EOS-2-06592,Cn1cc(-c2cccc(COc3cncc4nnc(-c5c(Cl)ccc(F)c5F)n34)c2)cn1,JTUWAHKBKYDLHV-UHFFFAOYSA-N,2,1,0.537,59,623,452.852,4.702,5,0.361,0.75,1.0,0.717582756493729,0.7737132478925365,0.9379925981769583,0.9336663011445412,0.8407387259269412
EOS-2-06593,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1-c1ccc(F)cc1,PVLLQCQLUPNKFV-UHFFFAOYSA-N,2,1,0.68,34,570,452.852,4.702,5,0.386,0.75,1.0,0.6992666712356932,0.7156980330340621,0.908034062093071,0.9271554382838736,0.812538551161675
EOS-2-06594,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2F)n1,PGJZRFPYDRVTNU-UHFFFAOYSA-N,2,1,0.703,43,96,452.852,4.702,5,0.386,0.72,1.0,0.9246453293125899,0.9243112192447399,0.9429185799465424,0.9389263929819752,0.9327003803714619
EOS-2-06595,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1ccc(Cl)cc1,BNXZQHCDCZSJHB-UHFFFAOYSA-N,2,1,0.68,34,570,452.852,4.702,5,0.386,0.79,1.0,0.7053748886299774,0.7434805702145157,0.9089078884243712,0.9271640052086902,0.8212318381193886
EOS-2-06596,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2F)cn1,JRDBCUZOGLZSCV-UHFFFAOYSA-N,2,1,0.722,59,623,452.852,4.702,5,0.386,0.71,1.0,0.8949438009732027,0.9022256870673703,0.9570711397436776,0.9523593310945103,0.9266499897196903
EOS-2-06597,Cn1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1-c1ccc(Cl)cc1,CWZIEVCWSLFYHT-UHFFFAOYSA-N,2,1,0.518,34,266,452.852,4.702,5,0.386,0.77,0.994,0.5989736824069632,0.6767442258926736,0.902773970255637,0.9220238503186896,0.7751289322184909
EOS-2-06598,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccc2F)cn1,BFHKVAPZUJCYPI-UHFFFAOYSA-N,2,1,0.645,59,623,452.852,4.702,5,0.386,0.64,1.0,0.8635031868960318,0.9371616064697417,0.957602289082311,0.9543040230278939,0.9281427763689946
EOS-2-06599,Cc1nc(-c2ccc(Cl)nc2)c(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1C,IXRRAGGAVUKEBI-UHFFFAOYSA-N,2,1,0.39,50,243,452.856,4.548,5,0.372,0.7,0.313,0.21871359056952916,0.42126996093482283,0.6482335001028031,0.6438729353711192,0.48302249674456854
EOS-2-06600,N#Cc1cc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)sc1F,IJHGFAPNFOJCQL-UHFFFAOYSA-N,2,1,0.608,16,232,452.858,4.751,5,0.379,0.69,0.892,0.9777345624014804,0.9637704749503119,0.7789133712562538,0.8001507778767734,0.8801422966212049
EOS-2-06601,COc1cc(-c2nnc3cncc(OCc4cc(-c5nnc(C)n5C)on4)n23)ccc1Cl,JSCJSBIAJHUPIV-UHFFFAOYSA-N,2,1,0.506,36,67,452.862,3.124,5,0.382,0.67,1.0,0.41905969433212253,0.5242186964567199,0.12705606195600028,0.1236721266534165,0.2985016448495648
EOS-2-06602,COc1cc(-c2nnc3cncc(OCc4cc(-c5noc(C)n5)nn4C)n23)ccc1Cl,FBRGYOFBOHLIIN-UHFFFAOYSA-N,2,1,0.452,36,67,452.862,3.124,5,0.382,0.65,1.0,0.44671372764032624,0.60001028030978,0.15412754437667056,0.1322390514700843,0.3332726509492152
EOS-2-06603,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)cc1,CNDJNYWDRXFFTH-UHFFFAOYSA-N,2,1,0.329,64,449,452.865,4.619,6,0.381,0.75,0.999,0.24615345075731615,0.3214567198958262,0.46211705846069495,0.5844184771434446,0.4035364265643205
EOS-2-06604,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)o2)c1,DRIDHQAJHXZNPX-UHFFFAOYSA-N,2,1,0.383,32,20,452.865,4.619,6,0.381,0.79,0.996,0.14090877938455212,0.3550047974778973,0.4693218422315126,0.5844270440682613,0.38741561579055583
EOS-2-06605,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)o2)n1,KBZNTHJQYGCMSS-UHFFFAOYSA-N,2,1,0.365,38,641,452.865,4.619,6,0.356,0.75,0.999,0.22415358782811323,0.340338222191762,0.4552892193818107,0.5686896031800425,0.3971176581454321
EOS-2-06606,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)o2)c1,FDJLFHLAJWIHKS-UHFFFAOYSA-N,2,1,0.375,3,641,452.865,4.619,6,0.381,0.77,1.0,0.17970838187924063,0.38840723733808513,0.5648259200877254,0.6640394763895552,0.44924525392365156
EOS-2-06607,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)o2)cn1,OHPIKPSNZBCQRY-UHFFFAOYSA-N,2,1,0.304,30,301,452.865,4.619,6,0.356,0.76,0.993,0.19124802960729217,0.3164793365773422,0.4184685765197725,0.5489771091768899,0.3687932629703242
EOS-2-06608,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)cc2)nn1,MQJAXMZQBAOJTM-UHFFFAOYSA-N,2,1,0.338,38,787,452.865,4.619,6,0.381,0.72,1.0,0.21318792406277842,0.28573264341032145,0.5873912000548284,0.6291121239120006,0.42885597285998217
EOS-2-06609,Clc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)cc1,CTLUCGDZMFQQJM-UHFFFAOYSA-N,2,1,0.417,3,186,452.865,4.619,6,0.381,0.78,1.0,0.30507675964635733,0.5060653827702009,0.6033685148379138,0.6902542663285587,0.5261912308957577
EOS-2-06610,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,ROFOEGYGVMFHPO-UHFFFAOYSA-N,2,1,0.347,42,339,452.865,4.619,6,0.381,0.74,1.0,0.2594493180727846,0.36450551709958195,0.6454321156877527,0.6933040915632924,0.4906727606058529
EOS-2-06611,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)n1,QYVSKTIRHGKZAF-UHFFFAOYSA-N,2,1,0.338,30,641,452.865,4.619,6,0.356,0.77,1.0,0.2131964909875951,0.3354208073469947,0.38230758686861765,0.49251250771023236,0.35585934822835996
EOS-2-06612,Clc1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc(-c2nnco2)n1,ZAISVLTVPMDZPT-UHFFFAOYSA-N,2,1,0.312,9,38,452.865,4.619,6,0.356,0.7,1.0,0.17119285861147282,0.2857412103351381,0.6067096155164142,0.666883695428689,0.43263184497292856
EOS-2-06613,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)o2)cn1,WCOUUMPYNLQLEQ-UHFFFAOYSA-N,2,1,0.329,30,371,452.865,4.619,6,0.356,0.69,0.941,0.24325783016928243,0.3929734082653691,0.35596429305736416,0.4864728257144815,0.3696670893016243
EOS-2-06614,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,JEALYJUGWSGMLV-UHFFFAOYSA-N,2,1,0.357,9,50,452.865,4.619,6,0.381,0.71,1.0,0.27788534027825373,0.407314440408471,0.6785689808786238,0.7153981906654787,0.5197917380577068
EOS-2-06615,Clc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)c2)nc1,UBCRWWJIBWUTJQ-UHFFFAOYSA-N,2,1,0.317,38,818,452.865,4.619,6,0.381,0.66,1.0,0.32261325474607633,0.359913645397848,0.6510948529915701,0.7015197724624769,0.5087853813994928
EOS-2-06616,Clc1ccccc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)cn1,OEVMBNPNTRLMBT-UHFFFAOYSA-N,2,1,0.36,32,687,452.865,4.619,6,0.381,0.64,1.0,0.2105664450688781,0.2803697484750874,0.5312435748063875,0.635288876704818,0.4143671612637928
EOS-2-06617,Clc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)c1,UHKQGVJHDSAEIK-UHFFFAOYSA-N,2,1,0.37,32,572,452.865,4.619,6,0.381,0.65,1.0,0.25403502158865054,0.3501730518812967,0.5073332876430676,0.6087142759235145,0.43006390925913235
EOS-2-06618,Clc1cc(-c2cccnn2)cnc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,ZXSXGHRVTCHXMG-UHFFFAOYSA-N,2,1,0.268,42,174,452.865,4.619,6,0.381,0.77,1.0,0.26212219861558494,0.30619902679734085,0.5716794599410595,0.6469313275306696,0.4467330032211637
EOS-2-06619,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)o2)cc1,BIRDUVXFFCPAND-UHFFFAOYSA-N,2,1,0.387,3,641,452.865,4.619,6,0.381,0.78,1.0,0.25945788499760125,0.4920241929956823,0.5809403056678775,0.6756647933657735,0.5020217942567337
EOS-2-06620,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)cn1,ZLZCPXBDBYNINS-UHFFFAOYSA-N,2,1,0.362,38,983,452.865,4.619,6,0.356,0.76,1.0,0.26481221300801866,0.33063189637447743,0.6393667329175519,0.6697793160167227,0.47614753957919265
EOS-2-06621,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cc2)n1,ILFSOQODPCWOPD-UHFFFAOYSA-N,2,1,0.333,38,787,452.865,4.619,6,0.356,0.66,1.0,0.2540435885134672,0.3306404632992941,0.5748749228976766,0.6291206908368172,0.44716991638681375
EOS-2-06622,Clc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cnc1-c1nnco1,VTPSRVRSUGITFU-UHFFFAOYSA-N,2,1,0.293,30,301,452.865,4.619,6,0.381,0.73,0.896,0.19125659653210883,0.29112980604482214,0.46933040915632923,0.5904495922143788,0.3855416009869097
EOS-2-06623,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccn5)o4)n23)nc1,QDPANJISGQZEMO-UHFFFAOYSA-N,2,1,0.351,30,541,452.865,4.619,6,0.381,0.76,0.978,0.16602700294702213,0.3164879035021589,0.3823161537934343,0.5328884243711877,0.34942987115345076
EOS-2-06624,Clc1ccc(-c2nnc3cncc(-c4cncc(-c5nnc(-c6ccccc6)o5)n4)n23)cc1,KGBDTEMLKXGWJA-UHFFFAOYSA-N,2,1,0.417,30,641,452.865,4.619,6,0.381,0.74,1.0,0.2946336782948393,0.5518984305393736,0.40080357754780344,0.5458330477691727,0.4482921835377972
EOS-2-06625,Clc1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)nc(-c2cncnc2)n1,DCLHRSLLCOUDRK-UHFFFAOYSA-N,2,1,0.309,38,170,452.865,4.619,6,0.356,0.75,1.0,0.2432663970940991,0.3010845726817901,0.5211346035227195,0.587374066205195,0.41321490987595094
EOS-2-06626,Clc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,JECNPCWGYPHJRM-UHFFFAOYSA-N,2,1,0.308,42,174,452.865,4.619,6,0.381,0.64,1.0,0.3128640943047084,0.36950860119251594,0.4552977863066274,0.5428517579329724,0.420130559934206
EOS-2-06627,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)o2)c1,YBZRQZYMXNWJOJ-UHFFFAOYSA-N,2,1,0.362,30,641,452.865,4.619,6,0.381,0.77,0.992,0.14642587896648618,0.33064903022411074,0.3788294153930505,0.542860324857789,0.34969116236035913
EOS-2-06628,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)o2)cc1,ZZJFYEPLWKJOTB-UHFFFAOYSA-N,2,1,0.321,32,572,452.865,4.619,6,0.381,0.76,0.999,0.17671852511822356,0.3695171681173326,0.47581557124254675,0.5993934617229799,0.4053611815502707
EOS-2-06629,Clc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)nc2)n1,SVJGXXOLBVULPP-UHFFFAOYSA-N,2,1,0.312,32,191,452.865,4.619,6,0.356,0.75,1.0,0.2078164622027277,0.30109313960660683,0.5245613734493866,0.5458416146939894,0.3948281474881776
EOS-2-06630,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cn5)n34)cn2)cn1,DTFVGXWMDLQTMO-UHFFFAOYSA-N,2,1,0.338,32,392,452.865,4.619,6,0.356,0.73,1.0,0.2648207799328353,0.3742803783153999,0.564834487012542,0.5936022205469125,0.4493844664519224
EOS-2-06631,Clc1cc(-c2ncon2)cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,RRZHEYAJSZTYGU-UHFFFAOYSA-N,2,1,0.365,42,50,452.865,4.619,6,0.381,0.7,1.0,0.2890223425399219,0.3454783770817627,0.6511034199163868,0.6987183880474265,0.4960806318963744
EOS-2-06632,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,ZZJVPWRKEXLZKD-UHFFFAOYSA-N,2,1,0.329,30,923,452.865,4.619,6,0.381,0.75,0.999,0.24894626824754987,0.35992221232266464,0.558100884106641,0.6553697484750873,0.4555847782879857
EOS-2-06633,Clc1cnc(-c2ccnnc2-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)nc1,QRJXLCDAPIZNQC-UHFFFAOYSA-N,2,1,0.305,38,983,452.865,4.619,6,0.381,0.64,1.0,0.3653964772805154,0.28574977725995476,0.45860461928586116,0.562101637996025,0.4179631279555891
EOS-2-06634,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)o2)c1,KZZAAMCTFXQFKG-UHFFFAOYSA-N,2,1,0.362,32,541,452.865,4.619,6,0.381,0.75,0.998,0.13037146186005072,0.35993077924748135,0.4043502844219039,0.5222911383729696,0.3542359159756014
EOS-2-06635,Clc1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)ccc1-c1nnco1,VHWKJHXCYUPTCC-UHFFFAOYSA-N,2,1,0.351,9,867,452.865,4.619,6,0.381,0.74,1.0,0.2997652662600233,0.4256305256665068,0.6095367007059146,0.6498783496676033,0.49620271057501203
EOS-2-06636,Clc1cc(-c2cncnn2)ncc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,ZPRYZMCZHKNVDN-UHFFFAOYSA-N,2,1,0.333,38,339,452.865,4.619,6,0.381,0.73,1.0,0.315374203275992,0.28037831539990404,0.6511119868412035,0.7127510108971283,0.48990387910355704
EOS-2-06637,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)nc2)cn1,RTPJIMJWWMQHBQ-UHFFFAOYSA-N,2,1,0.355,32,191,452.865,4.619,6,0.381,0.73,1.0,0.20498081008841065,0.29621855938592284,0.538139949283805,0.5749777259954767,0.4035792611884038
EOS-2-06638,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)o2)c1,GGWJJKIKZONJHC-UHFFFAOYSA-N,2,1,0.395,3,733,452.865,4.619,6,0.381,0.74,1.0,0.1797169488040573,0.39298197519018574,0.5037009115208005,0.6087228428483311,0.4212806695908437
EOS-2-06639,Clc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4c[nH]nn4)nc3)n12,HFPNPJDLZZVSIF-UHFFFAOYSA-N,2,1,0.284,94,615,452.869,3.749,6,0.429,0.63,0.899,0.18550818998012472,0.31129634706325815,0.5809488725926941,0.64988691659242,0.4319100815571243
EOS-2-06640,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)nn2)cc1,IXOULVXJRPAGKM-UHFFFAOYSA-N,2,1,0.28,10,37,452.869,3.544,6,0.399,0.63,0.936,0.003975053114933864,0.10175793297238024,0.3709821122609828,0.48950551709958195,0.24155515386196974
EOS-2-06641,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)cn1,SPJUPOODEPOCBP-UHFFFAOYSA-N,2,1,0.333,38,787,452.869,3.749,6,0.401,0.76,1.0,0.23539339318758137,0.32146528682064285,0.528082379549037,0.5904581591391954,0.41884980467411415
EOS-2-06642,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cc1,NOAJAEKCOOMMJW-UHFFFAOYSA-N,2,1,0.364,3,973,452.869,3.544,6,0.399,0.7,1.0,0.04697244876978959,0.22944794736481391,0.30043348639572337,0.44638818449729284,0.2558105167569049
EOS-2-06643,Clc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cnn2)cn1,HPYKKNMHIVGAPG-UHFFFAOYSA-N,2,1,0.305,9,7,452.869,3.749,6,0.401,0.54,1.0,0.19380954012747584,0.2857583441847714,0.5245699403742032,0.5718165307381262,0.3939885888561442
EOS-2-06644,Clc1ccc(-c2cn(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nn2)cc1,ISAIRQWABYOEAB-UHFFFAOYSA-N,2,1,0.462,39,596,452.869,3.544,6,0.399,0.71,0.998,0.009569255020217942,0.12807552600918373,0.3634946199712151,0.48039030909464736,0.24538242752381606
EOS-2-06645,Clc1ncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cn1,KHVWBFQFCPZOQM-UHFFFAOYSA-N,2,1,0.365,3,158,452.869,3.544,6,0.373,0.77,1.0,0.04560174079912275,0.21903913371256253,0.2278802001233637,0.3861712699609348,0.21967308614899594
EOS-2-06646,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nn2)cc1,VHZYPBGDVIUYKB-UHFFFAOYSA-N,2,1,0.321,10,37,452.869,3.544,6,0.399,0.65,0.987,0.01020320745665136,0.14980981426906997,0.3860170653142348,0.4864813926392982,0.25812786991981357
EOS-2-06647,Clc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)ccn2)c1,ZYQGSIYCSKRBDT-UHFFFAOYSA-N,2,1,0.269,42,723,452.869,3.749,6,0.429,0.62,1.0,0.2673480227537523,0.31130491398807486,0.4444606264135426,0.5089010348845179,0.3830036495099719
EOS-2-06648,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)c5)n34)cc2)nn1,GRLYAMXILQHKGU-UHFFFAOYSA-N,2,1,0.324,42,150,452.869,3.544,6,0.399,0.69,1.0,0.014889315331368651,0.12808409293400042,0.422375094236173,0.4744534301966966,0.25995048317455965
EOS-2-06649,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nn2)cn1,GOLUOQIBXKLBGU-UHFFFAOYSA-N,2,1,0.301,10,705,452.869,3.544,6,0.373,0.69,1.0,0.017562195874169007,0.14220238503186897,0.4008121444726201,0.48360290590089783,0.261044907819889
EOS-2-06650,Clc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cn1,LRTIGPOTAJLBON-UHFFFAOYSA-N,2,1,0.312,38,154,452.869,3.749,6,0.401,0.55,1.0,0.19942087588239327,0.2962271263107395,0.455306353231444,0.5089096018093345,0.3649659893084778
EOS-2-06651,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)n1,TUSXFQPHFWCQIP-UHFFFAOYSA-N,2,1,0.323,10,952,452.869,3.544,6,0.399,0.66,1.0,0.04698101569460626,0.21904770063737922,0.17668425741895688,0.3252175998903434,0.19198264341032145
EOS-2-06652,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)n1,LVWWJCYCLDDTTF-UHFFFAOYSA-N,2,1,0.31,86,790,452.869,3.544,6,0.373,0.64,0.975,0.012524844081968337,0.13126242204098418,0.3635031868960318,0.4212785278596395,0.23214224521965596
EOS-2-06653,Clc1cc(-c2cc[nH]n2)ccc1-c1cncc2nnc(-c3cnc(-c4ccnnc4)nc3)n12,CGSBIUMYHCVIFR-UHFFFAOYSA-N,2,1,0.281,42,106,452.869,3.749,6,0.429,0.67,1.0,0.2212836680145295,0.3354293742718114,0.489942430265232,0.5686981701048591,0.40383841066410797
EOS-2-06654,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)c1,SPGQTXKWCOFCHT-UHFFFAOYSA-N,2,1,0.291,10,871,452.869,3.544,6,0.399,0.64,0.314,0.012533411006785004,0.12087074223836612,0.2969210472208896,0.4115893358919882,0.21047863408950723
EOS-2-06655,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cc2)nn1,KEDQOAZDKYACNC-UHFFFAOYSA-N,2,1,0.298,3,620,452.869,3.544,6,0.399,0.69,1.0,0.02236824069631965,0.11447981632513193,0.38602563223905145,0.4683794805016791,0.24781329244054554
EOS-2-06656,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cn1,KVLYKQWVBSHVGB-UHFFFAOYSA-N,2,1,0.312,42,50,452.869,3.544,6,0.373,0.54,1.0,0.024501404975669935,0.1904941402234254,0.36705846069494896,0.4463967514221095,0.25711268932903847
EOS-2-06657,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cc1,PJYIWZYUOZVXPW-UHFFFAOYSA-N,2,1,0.35,3,973,452.869,3.544,6,0.399,0.76,1.0,0.03823418545678843,0.23982249331779865,0.3559728599821808,0.502424439723117,0.2841134946199712
EOS-2-06658,Clc1ccccc1-c1cnnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,FOGDBQIJOOZVIR-UHFFFAOYSA-N,2,1,0.35,3,7,452.869,3.749,6,0.429,0.6,1.0,0.21872215749434584,0.3929905421150024,0.3596395038037146,0.4957422383661161,0.36677361044479473
EOS-2-06659,Clc1cccc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)nn2)c1,JLLMARSWTIRPLW-UHFFFAOYSA-N,2,1,0.284,10,748,452.869,3.544,6,0.399,0.67,0.994,0.0032639983551504353,0.07928688917826057,0.2241621547529299,0.4241741484476732,0.18272179768350352
EOS-2-06660,Cc1cc(-c2nn(C)cc2COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)n(C)n1,SMOISUZBCJYZEI-UHFFFAOYSA-N,2,1,0.561,36,391,452.881,3.605,5,0.405,0.61,1.0,0.4397745185388253,0.652671167157837,0.42947707490919057,0.44301281611952575,0.4912338941813446
EOS-2-06661,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nn1C,OFWSDTCEBFCZRP-UHFFFAOYSA-N,2,1,0.576,95,381,452.881,3.339,5,0.392,0.55,1.0,0.42358303063532315,0.355013364402714,0.5073418545678843,0.5256493729011035,0.4528969056267562
EOS-2-06662,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)n(C)n4)n23)cc1F,SKZYMJJTZGZXEP-UHFFFAOYSA-N,2,1,0.511,37,563,452.881,3.339,5,0.392,0.65,1.0,0.635622986772668,0.6964567198958262,0.4693389760811459,0.4836114728257145,0.5712575388938387
EOS-2-06663,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nn2C)cn1,NDSNOLHNAGOTDA-UHFFFAOYSA-N,2,1,0.61,95,381,452.881,3.339,5,0.392,0.74,1.0,0.4605750119936947,0.3550219313275307,0.5516328558700568,0.5522239736824069,0.4798634432184222
EOS-2-06664,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)nn2C)cn1,DRCMVICMVFLUTG-UHFFFAOYSA-N,2,1,0.512,95,998,452.881,3.339,5,0.392,0.71,0.994,0.37221574943458297,0.32604002467274346,0.48995099719004864,0.5222997052977864,0.4276266191487903
EOS-2-06665,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)nn2C)cn1,ZNHAXLVZBUAHOM-UHFFFAOYSA-N,2,1,0.489,95,998,452.881,3.339,5,0.392,0.75,0.998,0.3585600712768145,0.3454869440065794,0.5245785072990199,0.5489856761017066,0.44440279967103014
EOS-2-06666,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)nn2C)cn1,BNIJGRINFQTUCA-UHFFFAOYSA-N,2,1,0.566,95,998,452.881,3.78,5,0.389,0.71,1.0,0.36300630525666505,0.34034678911657873,0.5211431704475361,0.522308272222603,0.43670113426084567
EOS-2-06667,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)nn2C)cn1,QCHHPVBHSVWXKA-UHFFFAOYSA-N,2,1,0.43,95,998,452.881,3.78,5,0.389,0.7,0.991,0.28903090946473853,0.3113134809128915,0.5037094784456172,0.512559111781235,0.4041532451511205
EOS-2-06668,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nncs1,PNCQFFNPOZQMKZ-UHFFFAOYSA-N,2,1,0.463,72,224,452.887,3.341,5,0.382,0.66,1.0,0.5814543211568776,0.6329501062298677,0.2636471112329518,0.23495648002193134,0.4282520046604071
EOS-2-06669,COc1cc(-c2nnc3cncc(OCc4nnc(-c5cnccn5)s4)n23)ccc1Cl,MCOVFYXWFWFARA-UHFFFAOYSA-N,2,1,0.478,4,67,452.887,3.341,5,0.382,0.66,1.0,0.5462613940100062,0.7064371873072441,0.1668322938797889,0.1942207525186759,0.4034379069289288
EOS-2-06670,CSc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)o1,DECGNZAKNIIFKE-UHFFFAOYSA-N,2,1,0.444,55,565,452.887,3.586,5,0.279,0.66,1.0,0.505260091837434,0.5519069974641903,0.20343876362141045,0.21736001644849565,0.36949146734288263
EOS-2-06671,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5scnc5Cl)n34)ncn2)cn1,INTODHLBXRBDPD-UHFFFAOYSA-N,2,1,0.388,46,238,452.887,2.825,5,0.414,0.55,0.876,0.4629052155438284,0.4302052635186074,0.23511068466863136,0.24942601603728326,0.34441179494208757
EOS-2-06672,COc1cc(-c2nnc3cncc(OCc4cnc(-c5csnn5)cn4)n23)ccc1Cl,PDDHNNCRJUBWAS-UHFFFAOYSA-N,2,1,0.478,4,212,452.887,3.341,5,0.382,0.63,1.0,0.4654838599136454,0.6475738468919197,0.32981803851689395,0.31617092728394214,0.43976166815160034
EOS-2-06673,Clc1snnc1CCOc1cncc2nnc(-c3ccc(Oc4cncnc4)cc3)n12,HKTIAMUDIRAPGW-UHFFFAOYSA-N,2,1,0.528,15,779,452.887,3.5,5,0.366,0.77,1.0,0.6215303954492495,0.7341854567884313,0.14508087177026935,0.21181721609211157,0.4281534850250155
EOS-2-06674,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncns1,ZMIJBXPIZZECDP-UHFFFAOYSA-N,2,1,0.458,4,224,452.887,3.341,5,0.382,0.59,1.0,0.5102546090055514,0.5564389006922075,0.26365567815776847,0.23202659173463094,0.3905939448975396
EOS-2-06675,COc1cc(-c2nnc3cncc(OCc4nnc(-c5cccnn5)s4)n23)ccc1Cl,ROSSSIMHKNDJCO-UHFFFAOYSA-N,2,1,0.489,72,226,452.887,3.341,5,0.382,0.74,1.0,0.5540144609690906,0.7567250359810842,0.15413611130148722,0.19152217120142553,0.4140994448632718
EOS-2-06676,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(Cl)s5)nn4)n23)cc1,WFQIPVBBDZJMDY-UHFFFAOYSA-N,2,1,0.529,72,226,452.887,2.825,5,0.414,0.7,1.0,0.7053834555547941,0.7110376259337948,0.18303234870810775,0.21736858337331233,0.45420550339250226
EOS-2-06677,COc1nnc(-c2cncc(-c3nnc4cncc(OCc5ccncc5Cl)n34)c2)s1,XZQAMBXLCBAOJB-UHFFFAOYSA-N,2,1,0.433,2,422,452.887,3.341,5,0.382,0.76,1.0,0.48770646288808167,0.5102717428551847,0.2278887670481804,0.2292166403947639,0.3637709032965527
EOS-2-06678,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)cn1,RTQYCHPGFHRLDT-UHFFFAOYSA-N,2,1,0.4,7,296,452.887,2.825,5,0.414,0.64,0.745,0.4420961551641423,0.4480244671372764,0.24578507299019944,0.2616595846754849,0.34939131999177575
EOS-2-06679,N=c1[nH]nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)s1,MVDKMQZZDATTOC-UHFFFAOYSA-N,2,1,0.458,58,602,452.891,2.182,5,0.399,0.58,0.97,0.6075491741484477,0.5287163319854705,0.052138304434240286,0.06561407717085875,0.3135044719347543
EOS-2-06680,N=c1[nH]nc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)s1,LQFHJEJILVRJTB-UHFFFAOYSA-N,2,1,0.388,31,602,452.891,2.182,5,0.399,0.64,0.994,0.4538671098622438,0.3454955109313961,0.052146871359056955,0.06562264409567542,0.22928303406209308
EOS-2-06681,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)s1,LYVJGZIRLSNVJU-UHFFFAOYSA-N,2,1,0.454,87,227,452.891,2.182,5,0.399,0.51,0.984,0.4754129257761634,0.43923480227537526,0.05215543828387362,0.06909224864642588,0.2589738537454595
EOS-2-06682,COc1cc(-c2nnc3cncc(Oc4ccsc4-c4ccccc4F)n23)ccc1Cl,VSKGNYPYUVWWMF-UHFFFAOYSA-N,2,1,0.466,13,209,452.898,6.113,5,0.322,0.8,1.0,0.9207216777465561,0.9224864642587897,0.9212956617092728,0.9132256185319718,0.9194323555616477
EOS-2-06683,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)cc1Cl,CPYBPOQECXLYPU-UHFFFAOYSA-N,2,1,0.74,84,360,452.902,4.724,5,0.371,0.72,1.0,0.912368926050305,0.9441350832705092,0.7128538139949284,0.7368583373312316,0.8265540401617435
EOS-2-06684,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)ccc1Cl,LUFSGXWURRLPBG-UHFFFAOYSA-N,2,1,0.663,84,360,452.902,4.724,5,0.371,0.61,1.0,0.8025923514495237,0.814860187786992,0.8106623946268248,0.8232900418065932,0.8128512439174833
EOS-2-06685,Cc1sccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nn1,WZPHFORIAMQHGF-UHFFFAOYSA-N,2,1,0.536,4,10,452.902,4.99,5,0.374,0.72,1.0,0.6901857309300253,0.8687204441093825,0.6866989925296415,0.7206668494277294,0.7415680042491947
EOS-2-06686,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)c(Cl)c4)n23)n1,NXNNGALZTYRLIV-UHFFFAOYSA-N,2,1,0.561,4,92,452.902,4.99,5,0.349,0.7,1.0,0.6444040847097526,0.777979576451237,0.694837571105476,0.7231426906997465,0.710090980741553
EOS-2-06687,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)ccn2)s1,HGYNSQMJGBKOEF-UHFFFAOYSA-N,2,1,0.512,59,183,452.902,4.99,5,0.374,0.76,1.0,0.759594955794668,0.7523130697005003,0.7556970050030841,0.7701836748680694,0.7594471763415804
EOS-2-06688,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)cn1,CEFBUAVOMRZSHD-UHFFFAOYSA-N,2,1,0.443,18,157,452.902,4.724,5,0.347,0.61,1.0,0.7208467548488795,0.7293794119662805,0.7233654307449798,0.7626190802549517,0.734052669453773
EOS-2-06689,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)s1,VDBKLBMUEJJODM-UHFFFAOYSA-N,2,1,0.523,43,521,452.902,4.99,5,0.374,0.72,1.0,0.785612706462888,0.8185953670070591,0.7027362757864437,0.7420241929956822,0.7622421355630183
EOS-2-06690,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2F)cn1,QXLQECJLGXYBIV-UHFFFAOYSA-N,2,1,0.549,4,716,452.902,4.99,5,0.374,0.72,1.0,0.8783153999040504,0.89993831814132,0.7874288945240216,0.7772342539921869,0.8357292166403947
EOS-2-06691,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)nc4)n23)ccc1Cl,MKVGKNWLZZGYIB-UHFFFAOYSA-N,2,1,0.731,84,360,452.902,4.724,5,0.371,0.7,1.0,0.880208690288534,0.8849204989377013,0.8062846960455075,0.8213453498732095,0.8481898087862381
EOS-2-06692,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)nc4)n23)cc1Cl,IKXCDQMLTWCBOY-UHFFFAOYSA-N,2,1,0.731,84,360,452.902,4.724,5,0.371,0.71,1.0,0.8783239668288672,0.887610513330135,0.8084521280241245,0.8213539167980262,0.8489351312452882
EOS-2-06693,Cc1nc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c2)cs1,AFMGGEWVOATFFM-UHFFFAOYSA-N,2,1,0.472,97,666,452.902,4.99,5,0.349,0.77,1.0,0.7911555068192722,0.8506613665958468,0.769626824754986,0.7626276471797684,0.7935178363374684
EOS-2-06694,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)nc1,ZCUQDZIITLCAOL-UHFFFAOYSA-N,2,1,0.474,87,173,452.902,4.724,5,0.371,0.69,1.0,0.8857343567952848,0.8369628538139949,0.6813617983688575,0.7312984031252142,0.7838393530258378
EOS-2-06695,Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc(-c2ccnc(F)c2)n1,FZIDSSQZXNEXGR-UHFFFAOYSA-N,2,1,0.506,4,43,452.902,4.99,5,0.349,0.51,1.0,0.7084589815639778,0.72477897333973,0.7413731067096155,0.7340740867658145,0.7271712870947845
EOS-2-06696,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)cs1,URQKCIUNVAPPSJ-UHFFFAOYSA-N,2,1,0.671,24,294,452.902,4.99,5,0.374,0.78,1.0,0.8802172572133506,0.8071842231512576,0.7649492838050853,0.765240559248852,0.8043978308546365
EOS-2-06697,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nc1Cl,KQVYOOBDXBVVJN-UHFFFAOYSA-N,2,1,0.457,87,529,452.902,4.724,5,0.347,0.68,1.0,0.7268179014460969,0.7651720238503187,0.6537163319854705,0.6987269549722431,0.7111083030635323
EOS-2-06698,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)c(Cl)c4)n23)c1,MCOAMUHZYGWNAX-UHFFFAOYSA-N,2,1,0.593,35,429,452.902,4.724,5,0.371,0.67,1.0,0.9107840449592214,0.927994996915907,0.7789219381810705,0.8109451031457748,0.8571615208004935
EOS-2-06699,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)cc1Cl,GZDWNMNNETUMIH-UHFFFAOYSA-N,2,1,0.663,84,360,452.902,4.724,5,0.371,0.74,1.0,0.7995853608388733,0.822596120896443,0.7577530669590844,0.779812898362004,0.7899368617641012
EOS-2-06700,Fc1ccc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)cc1-c1ccsc1,PVTJTKXCSQVQCX-UHFFFAOYSA-N,2,1,0.588,35,494,452.902,4.724,5,0.347,0.73,1.0,0.9570968405181276,0.9413936673291755,0.7439174833801658,0.77486121581797,0.8543173017613597
EOS-2-06701,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,KXYDJROFBHNQHW-UHFFFAOYSA-N,2,1,0.477,11,954,452.902,4.724,5,0.371,0.76,1.0,0.8544907819888973,0.7865893358919882,0.5280909464738538,0.6525083955863203,0.7054198649852649
EOS-2-06702,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)ccc1Cl,WLQONLWDMPTRCC-UHFFFAOYSA-N,2,1,0.663,84,360,452.902,4.724,5,0.371,0.76,1.0,0.8026009183743403,0.8186039339318758,0.757761633883901,0.7772428209170036,0.7890523267767802
EOS-2-06703,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccnc(-c5cnsc5)c4)n23)c1,OBVYZIOUQRPPLC-UHFFFAOYSA-N,2,1,0.628,35,752,452.902,4.724,5,0.371,0.58,1.0,0.6752193132753067,0.7434891371393325,0.7856041395380714,0.8132067712973751,0.7543798403125214
EOS-2-06704,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2)nc1,GOAJIRNNNCCHSH-UHFFFAOYSA-N,2,1,0.436,58,954,452.902,4.724,5,0.371,0.66,1.0,0.8802258241381674,0.8439191967651292,0.6269703927078336,0.6817644438352409,0.7582199643615928
EOS-2-06705,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)s1,WBZLXEYFMRUPNC-UHFFFAOYSA-N,2,1,0.512,59,577,452.902,4.99,5,0.374,0.7,1.0,0.7449026797340826,0.7523216366253169,0.7557055719279008,0.7652491261736687,0.7545447536152423
EOS-2-06706,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cn1,LPIJECHFACOTEC-UHFFFAOYSA-N,2,1,0.54,75,525,452.902,4.724,5,0.347,0.74,1.0,0.8996727434720033,0.9090278253718045,0.6948461380302926,0.7258155712425468,0.8073405695291619
EOS-2-06707,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2F)n1,IEGCMVZWLSDOBI-UHFFFAOYSA-N,2,1,0.523,4,554,452.902,4.99,5,0.374,0.64,1.0,0.8406637653347955,0.8656020834761154,0.7439260503049825,0.7497429922555,0.7999837228428484
EOS-2-06708,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)cc1Cl,HOTJCSZMYGJNEC-UHFFFAOYSA-N,2,1,0.73,24,583,452.902,4.724,5,0.371,0.66,1.0,0.8912171886779522,0.8474145020903296,0.7180368035090124,0.7420327599204989,0.7996753135494483
EOS-2-06709,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)ccc1Cl,XSDFDRGOPQWTRQ-UHFFFAOYSA-N,2,1,0.74,84,360,452.902,4.724,5,0.371,0.68,1.0,0.9123774929751216,0.942618737577959,0.7128623809197451,0.7340826536906312,0.8254853162908642
EOS-2-06710,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ccnnc1,BNEDPYJUSQCYQA-UHFFFAOYSA-N,2,1,0.523,37,202,452.902,4.724,5,0.371,0.67,1.0,0.9308991844287574,0.9386179836885752,0.7789305051058872,0.8109536700705915,0.8648503358234528
EOS-2-06711,Cc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccsc5)n4)n23)cc1Cl,ONJUARHJBAWAOV-UHFFFAOYSA-N,2,1,0.471,51,756,452.902,4.99,5,0.374,0.7,1.0,0.8406723322596121,0.8439277636899458,0.6568432595435543,0.6959855390309094,0.7593572236310054
EOS-2-06712,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c(Cl)c1,YWFBCMGRRWCQSK-UHFFFAOYSA-N,2,1,0.667,24,583,452.902,4.724,5,0.371,0.66,1.0,0.7856212733877047,0.8186125008566925,0.7557141388527174,0.7864522650949215,0.786600044548009
EOS-2-06713,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)s1,QPWCHGWYDLWTBC-UHFFFAOYSA-N,2,1,0.561,59,153,452.902,4.99,5,0.374,0.81,1.0,0.7175913234185457,0.662240422178055,0.7764974984579536,0.772436776094853,0.7321915050373518
EOS-2-06714,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)cs1,WWYVWTSVDRZKEQ-UHFFFAOYSA-N,2,1,0.512,59,109,452.902,4.99,5,0.374,0.72,1.0,0.7856298403125214,0.8474230690151463,0.7387087930916318,0.7471900486601329,0.7797379377698581
EOS-2-06715,Fc1cc(CCOc2cncc3nnc(-c4cnnc(-c5ccsc5)c4)n23)ccc1Cl,VHQMKUPVWRLMQW-UHFFFAOYSA-N,2,1,0.663,84,360,452.902,4.724,5,0.371,0.57,1.0,0.843019669659379,0.8369714207388116,0.7959786854910561,0.82522616681516,0.8252989856761017
EOS-2-06716,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2)cn1,VKZJMHCLIKEKDT-UHFFFAOYSA-N,2,1,0.461,58,959,452.902,4.724,5,0.347,0.73,1.0,0.8656106504009321,0.847431635939963,0.6813703652936742,0.7231512576245631,0.7793909773147831
EOS-2-06717,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cs1,HMCCSYBRVCQEMV-UHFFFAOYSA-N,2,1,0.658,59,294,452.902,4.99,5,0.374,0.79,1.0,0.8635117538208484,0.8797632101980672,0.7577702008087177,0.7547546432732506,0.8139499520252211
EOS-2-06718,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cncnc1,MNSIHPQKZKNWID-UHFFFAOYSA-N,2,1,0.523,37,215,452.902,4.724,5,0.371,0.77,1.0,0.9524278664930437,0.9414022342539922,0.7740387910355698,0.8044856418340073,0.8680886334041533
EOS-2-06719,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cnccn1,CSUOTHTVDOQVTR-UHFFFAOYSA-N,2,1,0.529,37,846,452.902,4.724,5,0.371,0.7,1.0,0.9563172503598109,0.9356880954012747,0.7180453704338291,0.7574275238160509,0.8418695600027414
EOS-2-06720,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)s1,SBZZAUQBRDPKNM-UHFFFAOYSA-N,2,1,0.649,59,294,452.902,4.99,5,0.374,0.76,1.0,0.8384706325817285,0.884929065862518,0.7696353916798027,0.7652576930984853,0.8145731958056337
EOS-2-06721,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)s1,FWEIRJRLXNDELF-UHFFFAOYSA-N,2,1,0.712,43,372,452.902,4.99,5,0.374,0.8,1.0,0.9618086491672949,0.9637790418751285,0.7027448427112604,0.7547632101980672,0.8457739359879377
EOS-2-06722,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)c1,CADTYAZLRSRFSW-UHFFFAOYSA-N,2,1,0.558,35,352,452.902,4.724,5,0.347,0.64,1.0,0.8235299157014598,0.8302635186073607,0.7233739976697965,0.7600490028099514,0.7843041086971421
EOS-2-06723,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)ccc1Cl,MNBLFQNWNKRASR-UHFFFAOYSA-N,2,1,0.72,84,360,452.902,4.724,5,0.371,0.66,1.0,0.8635203207456651,0.8263912685902268,0.7874374614488383,0.80015934480159,0.8193770988965801
EOS-2-06724,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)c1,GESFJBGLXGIIMZ-UHFFFAOYSA-N,2,1,0.6,84,884,452.902,4.724,5,0.371,0.6,1.0,0.7537694469193338,0.8109365362209581,0.8043400041121239,0.8312487149612775,0.8000736755534232
EOS-2-06725,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)nc2C)sn1,LFJMZMUAHKKECB-UHFFFAOYSA-N,2,1,0.407,13,110,452.902,5.511,5,0.357,0.61,1.0,0.47542149270098005,0.5952727708861627,0.6511205537660202,0.6756733602905901,0.5993720444109383
EOS-2-06726,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,XWPFPUFBONITKS-UHFFFAOYSA-N,2,1,0.457,18,157,452.902,4.724,5,0.347,0.72,1.0,0.7797957645123706,0.7694554862586526,0.6813789322184909,0.7258241381673635,0.7391135802892194
EOS-2-06727,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5cnsc5)ccn4)n23)c1,XOSVQDGJQNFGAN-UHFFFAOYSA-N,2,1,0.53,18,752,452.902,4.724,5,0.371,0.61,1.0,0.5540230278939072,0.5859005551367281,0.7740473579603866,0.8109622369954081,0.6812332944966075
EOS-2-06728,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)ns1,OKRDKDPCKUXNFY-UHFFFAOYSA-N,2,1,0.768,43,96,452.902,4.99,5,0.374,0.79,1.0,0.9013518607360702,0.8599821807963813,0.7311613323281475,0.7497515591803167,0.8105617332602288
EOS-2-06729,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)s1,GJTQPSABGMHJAH-UHFFFAOYSA-N,2,1,0.736,43,96,452.902,4.99,5,0.374,0.79,1.0,0.9309077513535742,0.9243197861695566,0.7439346172297991,0.760057569734768,0.8398049311219244
EOS-2-06730,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cn3)n12,AJXYKDZGJRJYAC-UHFFFAOYSA-N,2,1,0.518,84,749,452.902,4.724,5,0.371,0.72,1.0,0.7566222328832842,0.8032434377355905,0.7128709478445617,0.7600661366595847,0.7582006887807553
EOS-2-06731,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4nncs4)cc3)n12,XCXBHNHOIOGDLH-UHFFFAOYSA-N,2,1,0.641,91,660,452.902,4.724,5,0.371,0.73,1.0,0.9421818244123089,0.9729542183537797,0.7720255637036529,0.8001679117264067,0.871832379549037
EOS-2-06732,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)cn3)n12,OBKZBKORLVYLKQ-UHFFFAOYSA-N,2,1,0.529,84,529,452.902,4.724,5,0.371,0.65,1.0,0.6415255979713522,0.7567336029059009,0.7834709752587211,0.8173788636830923,0.7497772599547666
EOS-2-06733,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)n1,ZEYGNPGXYRJKTB-UHFFFAOYSA-N,2,1,0.495,58,954,452.902,4.724,5,0.347,0.73,1.0,0.9107926118840382,0.9243283530943732,0.6123809197450483,0.658188266739771,0.7764225378658077
EOS-2-06734,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cc2)s1,SMWGZOOBXLMZOY-UHFFFAOYSA-N,2,1,0.568,43,178,452.902,4.99,5,0.374,0.74,1.0,0.8721986155849496,0.8902833938729354,0.7209752587211294,0.7523045027756836,0.8089404427386746
EOS-2-06735,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)ccn2)s1,AMJAMYRNBLGYCN-UHFFFAOYSA-N,2,1,0.543,59,16,452.902,4.99,5,0.374,0.72,1.0,0.7020851895003769,0.7157065999588788,0.7413816736344322,0.7523130697005003,0.7278716331985471
EOS-2-06736,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)ccc1Cl,VLLGXUZREVGZKB-UHFFFAOYSA-N,2,1,0.73,24,583,452.902,4.724,5,0.371,0.68,1.0,0.8912257556027688,0.8226046878212597,0.7765060653827702,0.7910612706462888,0.8203494448632719
EOS-2-06737,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)s1,OVJLADCIRFUCNV-UHFFFAOYSA-N,2,1,0.662,59,294,452.902,4.99,5,0.374,0.76,1.0,0.852331916935097,0.8071927900760743,0.7765146323075869,0.7724453430196696,0.802121170584607
EOS-2-06738,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12,SSFSUMLKLULTSE-UHFFFAOYSA-N,2,1,0.566,84,672,452.902,4.724,5,0.371,0.66,1.0,0.8359262559111781,0.9386265506133918,0.6894318415461586,0.7284027825371805,0.7980968576519772
EOS-2-06739,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,IHLXXQCUAPTSDN-UHFFFAOYSA-N,2,1,0.617,91,803,452.902,4.724,5,0.371,0.75,1.0,0.8129411966280584,0.9046758275649373,0.7740559248852033,0.8213624837228428,0.8282588582002605
EOS-2-06740,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,GNQJTYLUAYCOQA-UHFFFAOYSA-N,2,1,0.658,24,583,452.902,4.724,5,0.371,0.66,1.0,0.805136728120074,0.8109451031457748,0.7601261051333014,0.7818775272428209,0.7895213659104927
EOS-2-06741,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccc2F)cn1,VYDMMLJOGNKBCB-UHFFFAOYSA-N,2,1,0.512,4,253,452.902,4.99,5,0.374,0.71,1.0,0.8743060790898499,0.9129943115619217,0.7936399150161059,0.7842248646425879,0.8412912925776163
EOS-2-06742,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)cs1,JUTQMIMUZNFOBI-UHFFFAOYSA-N,2,1,0.671,24,294,452.902,4.99,5,0.374,0.78,1.0,0.8839695702830512,0.8109536700705915,0.764957850729902,0.762636214104585,0.8056293262970324
EOS-2-06743,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)ns1,UIXHHCWKTZZEQY-UHFFFAOYSA-N,2,1,0.712,43,11,452.902,4.99,5,0.374,0.79,1.0,0.7740901925844699,0.7567421698307175,0.7077650606538277,0.7394027140017819,0.7445000342676992
EOS-2-06744,Fc1ncc(-c2nnc3cncc(OCCc4nccs4)n23)cc1-c1ccc(Cl)cc1,MAQXZZILPWTNPK-UHFFFAOYSA-N,2,1,0.581,11,275,452.902,4.724,5,0.347,0.78,1.0,0.869996915907066,0.9046843944897539,0.6329244054554177,0.7180025358097457,0.7814020629154959
EOS-2-06745,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccn2)s1,WHBSSIZCXIKDAX-UHFFFAOYSA-N,2,1,0.494,59,332,452.902,4.99,5,0.374,0.8,1.0,0.7566307998081009,0.7434977040641492,0.7311698992529642,0.7497601261051333,0.7452646323075869
EOS-2-06746,Fc1cccc(-c2ncsc2-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,VNRNWKMYHYHXNT-UHFFFAOYSA-N,2,1,0.6,11,201,452.902,4.724,5,0.347,0.69,1.0,0.6841803166335412,0.6866390240559249,0.5905866630114454,0.6902628332533753,0.6629172092385717
EOS-2-06747,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cn1,LFDIADUXBISOPH-UHFFFAOYSA-N,2,1,0.5,87,173,452.902,4.724,5,0.347,0.72,1.0,0.9218610787471729,0.932689671715441,0.6839147419642245,0.7180111027345624,0.8141191487903502
EOS-2-06748,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)s1,GRVHMPDTFWTLTM-UHFFFAOYSA-N,2,1,0.662,59,294,452.902,4.99,5,0.374,0.75,1.0,0.8544993489137139,0.8072013570008909,0.7765231992324035,0.7724539099444864,0.8026694537728737
EOS-2-06749,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12,VLJHKLXYTAPRGX-UHFFFAOYSA-N,2,1,0.588,84,749,452.902,4.724,5,0.371,0.71,1.0,0.8476286752107464,0.9260931396066068,0.6568518264683709,0.7069512027962442,0.7843812110204921
EOS-2-06750,Fc1sccc1CCOc1cncc2nnc(-c3cncc(-c4ccc(Cl)cn4)c3)n12,AXNMRJICLXKSAM-UHFFFAOYSA-N,2,1,0.495,2,76,452.902,4.724,5,0.371,0.59,1.0,0.7968696456719896,0.7947364813926393,0.7259612089644302,0.7600747035844013,0.7694105099033651
EOS-2-06751,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,SGTSUHBYZZEEAQ-UHFFFAOYSA-N,2,1,0.57,84,73,452.902,4.724,5,0.371,0.77,1.0,0.7449112466588993,0.7823572750325544,0.7413902405592488,0.770192241792886,0.7597127510108971
EOS-2-06752,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cncs5)ccn4)n23)ccc1Cl,GJOWZBNTSRXBIQ-UHFFFAOYSA-N,2,1,0.612,84,308,452.902,4.724,5,0.371,0.65,1.0,0.7144301281611952,0.6719638818449729,0.7789390720307039,0.8001764786512233,0.7413773901720238
EOS-2-06753,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)s1,MDBONVSDVMPYOW-UHFFFAOYSA-N,2,1,0.506,59,109,452.902,4.99,5,0.374,0.68,1.0,0.7656089370159688,0.8506699335206634,0.7488091974504831,0.7574360907408677,0.7806310396819958
EOS-2-06754,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)cs1,SRNZLRDCRJXMEP-UHFFFAOYSA-N,2,1,0.518,24,912,452.902,4.99,5,0.374,0.71,1.0,0.8129497635528751,0.7523302035501337,0.7463162223288329,0.754771777122884,0.7665919916386814
EOS-2-06755,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccsc5)ncn4)n23)cc1Cl,SWKHBPMIFJFWLC-UHFFFAOYSA-N,2,1,0.59,44,308,452.902,4.724,5,0.371,0.71,0.999,0.7968782125968062,0.6915907065999589,0.7625162771571516,0.7958330477691727,0.7617045610307723
EOS-2-06756,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cc1Cl,OVJUKPFCKVTYJX-UHFFFAOYSA-N,2,1,0.74,84,360,452.902,4.724,5,0.371,0.77,1.0,0.9164810499623055,0.9326982386402577,0.7696439586046193,0.7842334315674045,0.8507641696936468
EOS-2-06757,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccnc(-c4cncs4)c3)n12,CTBKRRPLFAAORW-UHFFFAOYSA-N,2,1,0.638,84,672,452.902,4.724,5,0.371,0.63,1.0,0.7884226578027551,0.8405266945377288,0.7673737235282023,0.7958416146939894,0.7980411726406689
EOS-2-06758,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)cc1,KMJRNCOLUOFIGH-UHFFFAOYSA-N,2,1,0.692,91,660,452.905,5.0,5,0.36,0.83,1.0,0.9612175313549448,0.9818895209375642,0.8971969021999863,0.9054896854225207,0.936448409978754
EOS-2-06759,N#Cc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)cc1,PRAJEARXYPVCKQ-UHFFFAOYSA-N,2,1,0.659,91,660,452.905,5.0,5,0.36,0.81,1.0,0.9680368035090124,0.9596412171886779,0.8898721814817353,0.8941042423411693,0.9279136111301488
EOS-2-06760,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccoc5)cc4)n23)c1-c1cccc(Cl)c1,SDQZZFIHHOXROP-UHFFFAOYSA-N,2,1,0.375,9,625,452.905,5.772,6,0.339,0.78,1.0,0.13311287780138442,0.24976869302994997,0.8126841888835583,0.8638544308135152,0.514855047632102
EOS-2-06761,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cn2)cc1,PQQKKXRZGSRHTO-UHFFFAOYSA-N,2,1,0.784,91,660,452.905,5.0,5,0.36,0.83,1.0,0.9680453704338291,0.9804502775683641,0.8972054691248029,0.9054982523473374,0.9377998423685834
EOS-2-06762,Cc1onc(-c2ccccc2)c1-c1cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c[nH]1,UQYISMYXORPMKV-UHFFFAOYSA-N,2,1,0.361,83,220,452.905,6.07,6,0.351,0.75,0.998,0.28618669042560485,0.46536392296621204,0.7577787677335344,0.8193749571653759,0.5821760845726818
EOS-2-06763,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3cn(-c4cccc(Cl)c4)cn3)n12,KVHQLILBGVTUFU-UHFFFAOYSA-N,2,1,0.295,30,298,452.909,4.698,6,0.387,0.64,0.774,0.01936125008566925,0.12087930916318278,0.47582413816736346,0.6176667123569324,0.308432852443287
EOS-2-06764,Cn1cc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(-c2ccc(Cl)cc2)n1,XGYULVIDPYVDNY-UHFFFAOYSA-N,2,1,0.333,3,668,452.909,4.698,6,0.387,0.73,0.999,0.020346446439586045,0.16913679665547254,0.5648430539373587,0.6697878829415393,0.3560285449934891
EOS-2-06765,Cn1c(-c2ncnn2-c2ccccc2)ccc1-c1cncc2nnc(-c3ccccc3Cl)n12,NKFQETIOVGXFEQ-UHFFFAOYSA-N,2,1,0.383,30,298,452.909,4.698,6,0.387,0.78,0.955,0.05499109039819067,0.23417688986361457,0.4621256253855116,0.5964721403604962,0.3369414365019533
EOS-2-06766,Cn1ncc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1-c1cccc(Cl)c1,ZCDPFEFXJULLKJ-UHFFFAOYSA-N,2,1,0.357,30,668,452.909,4.698,6,0.387,0.64,1.0,0.010897128366801453,0.12452025221026661,0.5581094510314577,0.6756819272154068,0.34230218970598314
EOS-2-06767,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)c6)c5)n34)cc2)n[nH]1,IPHSXKBBSCYQHG-UHFFFAOYSA-N,2,1,0.308,3,668,452.909,4.996,6,0.406,0.74,0.998,0.022376807621136318,0.21397608114591185,0.7180539373586458,0.760083270509218,0.428622524158728
EOS-2-06768,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5[nH]ccc5Cl)cc4)n23)nc1,NFEZDWIAHDYLCA-UHFFFAOYSA-N,2,1,0.301,38,787,452.909,4.902,6,0.41,0.68,1.0,0.12169316702076623,0.2091015009252279,0.7339198821191145,0.7702008087177027,0.4587288396957028
EOS-2-06769,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cocn1,QZDKJWVPNCEMBT-UHFFFAOYSA-N,2,1,0.462,58,954,452.927,4.74,5,0.352,0.62,0.505,0.6075577410732643,0.6191487903502159,0.22789733397299705,0.2585155232677678,0.42827984716606127
EOS-2-06770,COc1cc(-c2nnc3cncc(OCc4cc(-c5ccnn5C)cs4)n23)ccc1Cl,GPFSUOWMUQHAQQ-UHFFFAOYSA-N,2,1,0.511,4,67,452.927,4.494,5,0.377,0.67,1.0,0.5285535604139538,0.657288739634021,0.6568603933931876,0.5653399355767253,0.602010657254472
EOS-2-06771,COc1cc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)ccc1-c1cn(C)cn1,CMHNFAGYMWSHIH-UHFFFAOYSA-N,2,1,0.483,16,591,452.927,4.494,5,0.377,0.73,1.0,0.6961568775272429,0.5859091220615448,0.6596275101089712,0.5428688917826057,0.6211406003700911
EOS-2-06772,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cnn(C)c1,QSZFQAKOVZDXIW-UHFFFAOYSA-N,2,1,0.495,4,83,452.927,4.494,5,0.377,0.67,1.0,0.49018230416009867,0.6094767322321979,0.6648876019464053,0.5590004112123912,0.5808867623877734
EOS-2-06773,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cncn1C,MADVULVAGBROKO-UHFFFAOYSA-N,2,1,0.484,4,248,452.927,4.494,5,0.377,0.73,1.0,0.6298831471455006,0.570300185045576,0.6360341991638682,0.5328969912960044,0.5922786306627373
EOS-2-06774,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccnn1C,IYXQLVQNZAPXRD-UHFFFAOYSA-N,2,1,0.489,4,224,452.927,4.494,5,0.377,0.73,1.0,0.512739017202385,0.5331968336645878,0.6095452676307312,0.5024330066479337,0.5394785312864094
EOS-2-06775,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2O)cn1,QZGBNJGVXWVLSS-UHFFFAOYSA-N,2,1,0.511,15,563,452.927,4.234,5,0.414,0.62,1.0,0.647539579192653,0.6915992735247756,0.5716880268658763,0.5389880748406553,0.6124537386059901
EOS-2-06776,COc1cc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)ccc1-c1cnn(C)c1,JRYCMSMTHBCYJH-UHFFFAOYSA-N,2,1,0.488,16,591,452.927,4.494,5,0.377,0.65,1.0,0.5285621273387705,0.5805804948255774,0.7102237680762113,0.5936107874717291,0.603244294428072
EOS-2-06777,COc1cc(-c2nnc3cncc(OCc4cc(Cl)cs4)n23)ccc1-c1cnn(C)c1,RBTGHKUZMKHOAU-UHFFFAOYSA-N,2,1,0.512,16,83,452.927,4.494,5,0.377,0.63,1.0,0.495022616681516,0.6280926598588171,0.6675690494140224,0.5687067370296758,0.5898477657460078
EOS-2-06778,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1nccn1C,YAZOPJQCYFKVGE-UHFFFAOYSA-N,2,1,0.505,4,248,452.927,4.494,5,0.377,0.76,1.0,0.5989822493317799,0.5859176889863614,0.5381485162086218,0.4430213830443424,0.5415174593927764
EOS-2-06779,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)c2)cn1,KSQURYODIDRFNX-UHFFFAOYSA-N,2,1,0.484,15,388,452.931,3.801,5,0.37,0.66,1.0,0.2594664519224179,0.4349684737166747,0.08559214584332808,0.13646254540470154,0.22912240422178054
EOS-2-06780,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)cc1,IMGGKMHQICBBMD-UHFFFAOYSA-N,2,1,0.483,26,460,452.931,3.801,5,0.37,0.7,1.0,0.4901908710849154,0.5242272633815366,0.09726029744362963,0.1461860050716195,0.3144661092454253
EOS-2-06781,CCn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccsn1,STNGVRINYMKKNQ-UHFFFAOYSA-N,2,1,0.415,31,493,452.931,3.801,5,0.346,0.58,1.0,0.2187307244191625,0.13127098896580083,0.10507333287643067,0.15899355767253787,0.15351715098348295
EOS-2-06782,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnsc4Cl)n23)cc1,QHSYZOJDOILTES-UHFFFAOYSA-N,2,1,0.568,15,187,452.931,3.801,5,0.37,0.58,1.0,0.6017664998971969,0.5287248989102872,0.13291583853060104,0.18338359262559112,0.36169770749091906
EOS-2-06783,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)cn1,KDQPUEMKPSCKAD-UHFFFAOYSA-N,2,1,0.4,31,194,452.931,3.801,5,0.37,0.71,1.0,0.320197381947776,0.2448598451099993,0.16998492221232267,0.18878075526009183,0.23095572613254747
EOS-2-06784,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nn2C)s1,JWOKADXUWCVEAC-UHFFFAOYSA-N,2,1,0.453,95,235,452.931,3.627,5,0.388,0.61,0.995,0.30236104447947365,0.2803868823247207,0.11599616201768213,0.14619457199643615,0.21123466520457818
EOS-2-06785,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)nn1C,KPHUWSLFBXHZLH-UHFFFAOYSA-N,2,1,0.494,87,227,452.931,3.627,5,0.388,0.64,1.0,0.45833904461654446,0.48281474881776437,0.0948187238708793,0.11902028647796586,0.2887482009457885
EOS-2-06786,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)n(C)n1,RIXCSQWJGJOWOF-UHFFFAOYSA-N,2,1,0.474,31,510,452.931,3.627,5,0.388,0.63,1.0,0.5151206223014186,0.6094852991570145,0.07849873209512713,0.10521040367349736,0.3270787643067644
EOS-2-06787,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)nn2C)cn1,KVDDQNUDUJPXMM-UHFFFAOYSA-N,2,1,0.415,31,569,452.931,3.627,5,0.388,0.54,1.0,0.37463162223288327,0.31132204783770817,0.14807929545610307,0.16953087519703927,0.2508909601809335
EOS-2-06788,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)c1,OVKRNHNLZRRVSF-UHFFFAOYSA-N,2,1,0.463,26,448,452.931,3.801,5,0.37,0.68,1.0,0.3699883489822493,0.4392433692001919,0.09041532451511206,0.13885271742855185,0.25962494003152625
EOS-2-06789,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)cc2Cl)s1,HMYVOEWMYMQECG-UHFFFAOYSA-N,2,1,0.576,37,847,452.931,3.627,5,0.388,0.68,1.0,0.4702470701117127,0.7064457542320609,0.17977691727777398,0.20277054348571036,0.38981007127681444
EOS-2-06790,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nn2C)c(C)n1,KDXWSDWVWDLTQV-UHFFFAOYSA-N,2,1,0.415,31,694,452.931,3.893,5,0.399,0.66,0.986,0.2917637584812556,0.3645140840243986,0.15123192378863684,0.1435473922280858,0.23776428963059418
EOS-2-06791,CCn1cnnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cs1,HPHITPWWOMSAQU-UHFFFAOYSA-N,2,1,0.46,65,908,452.931,3.801,5,0.346,0.62,1.0,0.39271640052086904,0.3011017065314235,0.1512404907134535,0.1968850661366596,0.2604859159756014
EOS-2-06792,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)c1,LXJZPQHDBAKLLB-UHFFFAOYSA-N,2,1,0.463,65,349,452.931,3.801,5,0.37,0.6,1.0,0.38839010348845177,0.3884158042629018,0.17669282434377356,0.22592694126516347,0.29485641834007265
EOS-2-06793,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)nn1C,GIIZGJICBHNWPV-UHFFFAOYSA-N,2,1,0.398,31,194,452.931,3.627,5,0.388,0.59,0.835,0.439783085463642,0.37428894524021655,0.13922966212048524,0.1484733739976698,0.2754437667055034
EOS-2-06794,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ncn2)cn1,RSFCQESLDKBGCE-UHFFFAOYSA-N,2,1,0.404,31,194,452.931,3.801,5,0.37,0.57,1.0,0.3328421629771777,0.23418545678843122,0.20344733054622713,0.22017853471317936,0.24766337125625387
EOS-2-06795,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCCc4scnc4Cl)n23)c1,VTKPHIXNCKWTQK-UHFFFAOYSA-N,2,1,0.429,18,544,452.931,3.627,5,0.388,0.63,0.996,0.3202059488725927,0.3214738537454595,0.12706462888081693,0.14117435405386883,0.22747969638818447
EOS-2-06796,CCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)c2)cn1,JYJOSGHRUMUWLV-UHFFFAOYSA-N,2,1,0.4,18,711,452.931,3.801,5,0.37,0.68,1.0,0.29977383318483997,0.2548574463710506,0.12188163936673292,0.14620313892125283,0.20567901446096906
EOS-2-06797,Cc1nc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5nccn5C)c4)n23)s1,KRLFDVWIAMRTSR-UHFFFAOYSA-N,2,1,0.489,65,184,452.931,3.627,5,0.388,0.56,1.0,0.4516140086354602,0.482823315742581,0.0785072990199438,0.10105544513741348,0.27850001713384964
EOS-2-06798,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4scnc4Cl)n23)ccn1,CFOVHSWXVXEOFD-UHFFFAOYSA-N,2,1,0.495,75,624,452.931,3.801,5,0.37,0.7,1.0,0.4442464532931259,0.43497704064149134,0.12707319580563362,0.15357926118840382,0.28996898773216373
EOS-2-06799,Cc1ccc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)cc1-c1nccn1C,UWWZHFSKLZRRCK-UHFFFAOYSA-N,2,1,0.512,20,460,452.931,3.627,5,0.388,0.65,1.0,0.40335652114317044,0.49203275992049894,0.08067473099856076,0.11902885340278253,0.2737732163662532
EOS-2-06800,CCc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)nn1C,XWLDIIVAOIQYFK-UHFFFAOYSA-N,2,1,0.462,92,185,452.931,3.838,5,0.386,0.72,0.98,0.2861952573504215,0.5195497224316359,0.05216400520869029,0.07674251250771023,0.23366287437461447
EOS-2-06801,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)c1,DJRFZGSRTVDNRD-UHFFFAOYSA-N,2,1,0.495,65,981,446.902,3.74,5,0.351,0.69,1.0,0.564834487012542,0.6094938660818313,0.3748629292029333,0.3445874169008293,0.473444674799534
EOS-2-06802,CCCOc1cc(-c2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4)n23)nc(Cl)n1,ZFOSGCMWXOROSG-UHFFFAOYSA-N,2,1,0.333,74,336,446.902,4.091,5,0.362,0.64,1.0,0.33768247549859504,0.37906072236310057,0.33379309163182785,0.28808854773490505,0.33465620930710716
EOS-2-06803,CCn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccncc1,RINIWFXGAFDKHU-UHFFFAOYSA-N,2,1,0.453,95,235,446.902,3.74,5,0.375,0.69,0.955,0.32780481118497706,0.2341940237132479,0.19632821602357617,0.24647899390034952,0.2512015112055377
EOS-2-06804,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,OEPPBPHSQRQSGN-UHFFFAOYSA-N,2,1,0.412,18,211,446.902,3.74,5,0.375,0.68,1.0,0.44210472208895896,0.33543794119662806,0.3709906791857995,0.367366869988349,0.3789750531149339
EOS-2-06805,CCn1cnnc1-c1cccc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)c1,BKYCVFPXHAVFOK-UHFFFAOYSA-N,2,1,0.523,15,438,446.902,3.74,5,0.351,0.69,1.0,0.5591546158590912,0.565734014118292,0.2636642450825852,0.3068158453841409,0.42384218011102737
EOS-2-06806,Cc1nn(C)cc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)c1,DXVYDRCOHBLTPN-UHFFFAOYSA-N,2,1,0.484,15,482,446.902,3.565,5,0.393,0.6,1.0,0.43267253786580767,0.5060739496950175,0.30428860256322393,0.31303543280104174,0.3890176307312727
EOS-2-06807,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cn1,RWALBCIQKUQMGK-UHFFFAOYSA-N,2,1,0.505,87,468,446.902,3.74,5,0.375,0.68,1.0,0.4467222945651429,0.5195582893564527,0.3042971694880406,0.3003820848468234,0.3927399595641149
EOS-2-06808,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,PRCDCBCEJBVVKI-UHFFFAOYSA-N,2,1,0.56,15,187,446.902,3.74,5,0.351,0.67,1.0,0.7856384072373381,0.6916078404495922,0.3261856623946268,0.3477828798574464,0.5378036974847509
EOS-2-06809,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2C)cn1,GOVKVDZHAWJPGM-UHFFFAOYSA-N,2,1,0.489,87,579,446.902,3.565,5,0.393,0.62,1.0,0.4950311836063327,0.5242358303063532,0.3407237338085121,0.3190322801727092,0.4197557569734768
EOS-2-06810,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,NISMGEAXWWPXJE-UHFFFAOYSA-N,2,1,0.398,18,211,446.902,3.74,5,0.351,0.78,0.999,0.3746401891577,0.2911383729696388,0.28606675347817145,0.28809711465972176,0.309985607566308
EOS-2-06811,CCn1cnnc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,PLRLLDSKXGMJAX-UHFFFAOYSA-N,2,1,0.539,15,908,446.902,3.74,5,0.375,0.72,1.0,0.5334709752587211,0.514983551504352,0.29325440339935577,0.33817935713796177,0.41997207182509766
EOS-2-06812,CCn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,ZSUCDOSAQDDODW-UHFFFAOYSA-N,2,1,0.454,15,482,446.902,3.74,5,0.375,0.72,1.0,0.4516225755602769,0.5060825166198342,0.2787248989102872,0.282314440408471,0.37968610787471735
EOS-2-06813,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)n1,OPMHRQUZIDWTCV-UHFFFAOYSA-N,2,1,0.566,15,320,446.902,3.74,5,0.351,0.76,1.0,0.5706171612637927,0.6281012267836338,0.28607532040298816,0.2911126721951888,0.4439765951614009
EOS-2-06814,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)cn1,OWHAPQFGSOJZPJ-UHFFFAOYSA-N,2,1,0.505,75,329,446.902,3.74,5,0.375,0.67,1.0,0.3970341306284696,0.40279110410527036,0.3152371324789254,0.32216777465560964,0.35930753546706873
EOS-2-06815,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,AHFGULNGXPXLLP-UHFFFAOYSA-N,2,1,0.44,18,544,446.902,3.565,5,0.368,0.66,1.0,0.37464875608251663,0.3354465081214447,0.3670670276197656,0.32836166129806044,0.35138098828044684
EOS-2-06816,Cc1nc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1-c1cnnn1C,TUPCAYHYIGWQQI-UHFFFAOYSA-N,2,1,0.533,19,54,446.902,3.565,5,0.393,0.67,0.999,0.407699952025221,0.4920413268453156,0.31143341786032486,0.3509954766636968,0.3905425433486396
EOS-2-06817,Cc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ncnn1C,WOUGWONOUSNNJT-UHFFFAOYSA-N,2,1,0.553,15,438,446.902,3.565,5,0.368,0.65,1.0,0.6187632787334658,0.580589061750394,0.3670755945445823,0.36077890480433145,0.48180170995819344
EOS-2-06818,CCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,LIYDLZOIGRPGHL-UHFFFAOYSA-N,2,1,0.433,18,711,446.902,3.74,5,0.351,0.69,1.0,0.3023696114042903,0.2398310602426153,0.37487149612775,0.35734356795284766,0.3186039339318758
EOS-2-06819,CCn1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c1,CFGCUABJTGVURW-UHFFFAOYSA-N,2,1,0.416,18,211,446.902,3.74,5,0.375,0.62,1.0,0.4306421766842574,0.359939346172298,0.3635117538208485,0.35100404358851345,0.37627433006647937
EOS-2-06820,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)n(C)n5)n34)cc2)cn1,UROGSMFICSINOM-UHFFFAOYSA-N,2,1,0.506,15,320,446.902,3.565,5,0.393,0.69,1.0,0.6387584812555686,0.7247875402645466,0.3114419847851415,0.2972123226646563,0.49305008224247826
EOS-2-06821,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n(C)n1,QDHNAJFQABCITK-UHFFFAOYSA-N,2,1,0.588,15,438,446.902,3.565,5,0.368,0.7,1.0,0.5648430539373587,0.5657425810431088,0.2457936399150161,0.2585240901925845,0.408725841272017
EOS-2-06822,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nn1C,HFFRFIZWNWHPJN-UHFFFAOYSA-N,2,1,0.595,15,438,446.902,3.565,5,0.368,0.7,1.0,0.5814628880816942,0.5752775683640601,0.22790590089781373,0.234965046946748,0.40490285107257895
EOS-2-06823,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn1,BNUDTPMLLZNELP-UHFFFAOYSA-N,2,1,0.529,75,329,446.902,3.74,5,0.351,0.67,1.0,0.39704269755328625,0.36452265094921527,0.38232472071825097,0.3607874717291481,0.3761693852374752
EOS-2-06824,COc1cc(-c2nnc3cncc(CCc4ccc(-c5cn(C)nn5)cn4)n23)ccc1Cl,MHBBPIVUDCVAKQ-UHFFFAOYSA-N,2,1,0.396,85,580,446.902,3.429,5,0.394,0.74,1.0,0.32021451579740934,0.39789939003495306,0.35598142690699747,0.3381879240627784,0.35307081420053454
EOS-2-06825,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)c1,MYSDPTSQYXPSMT-UHFFFAOYSA-N,2,1,0.435,95,493,446.902,3.565,5,0.368,0.64,1.0,0.4099787540264547,0.34550407785621273,0.29692961414570623,0.3068244123089576,0.33980921458433283
EOS-2-06826,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,HFDLOJZWOLTDRE-UHFFFAOYSA-N,2,1,0.484,65,349,446.902,3.74,5,0.351,0.72,1.0,0.3328507299019944,0.3455126447810294,0.41847714344458914,0.3956805565074361,0.37313026865876225
EOS-2-06827,CCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,GNHXOZICCCTNOS-UHFFFAOYSA-N,2,1,0.424,18,711,446.902,3.74,5,0.375,0.71,1.0,0.33040915632924406,0.2597919950654513,0.3596480707285313,0.3573521348776643,0.3268003392502227
EOS-2-06828,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,UEPHOUSTSUHNJP-UHFFFAOYSA-N,2,1,0.441,20,279,446.902,3.74,5,0.375,0.66,1.0,0.5102631759303681,0.48283188266739774,0.2896477280515386,0.30039065177164004,0.39578335960523614
EOS-2-06829,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,PGFHHEBRUYLXBN-UHFFFAOYSA-N,2,1,0.527,87,579,446.902,3.565,5,0.393,0.73,1.0,0.5177335343705024,0.5703087519703927,0.2896562949763553,0.27633472688643684,0.41350832705092183
EOS-2-06830,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)c1,SUSROOIDNWDBLJ-UHFFFAOYSA-N,2,1,0.457,26,448,446.902,3.74,5,0.351,0.67,1.0,0.5385340278253719,0.49204989377013225,0.24235830306353232,0.26166815160030155,0.38365259406483454
EOS-2-06831,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cn1,NJOBMZRWCJQCGB-UHFFFAOYSA-N,2,1,0.455,87,468,446.902,3.74,5,0.351,0.7,1.0,0.39502090329655265,0.4787882941539305,0.27506682201357,0.2731906654787198,0.3555166712356932
EOS-2-06832,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,WQKPKXWLUYFNOV-UHFFFAOYSA-N,2,1,0.484,65,349,446.902,3.74,5,0.351,0.7,1.0,0.33990987595092864,0.34552121170584604,0.43337502570077446,0.4082225344390378,0.3817571619491467
EOS-2-06833,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nn1C,URGBZQGACPRJOQ-UHFFFAOYSA-N,2,1,0.449,87,838,446.902,3.565,5,0.368,0.59,1.0,0.43979165238845863,0.46118326365567813,0.28966486190117197,0.27319923240353644,0.36595975258721125
EOS-2-06834,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,UXRRVTXXEOMIJI-UHFFFAOYSA-N,2,1,0.541,15,931,446.902,3.74,5,0.351,0.7,1.0,0.4877150298128984,0.4828404495922144,0.24959735453361662,0.2881056815845384,0.37706462888081693
EOS-2-06835,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,YCRJQKAMRJHFCA-UHFFFAOYSA-N,2,1,0.416,18,211,446.902,3.74,5,0.351,0.69,1.0,0.4143478856829552,0.31649647042697554,0.37488006305256666,0.35408813652251386,0.3649531389212528
EOS-2-06836,Cc1c(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cnn1C,XKLRGJBOWZZVQB-UHFFFAOYSA-N,2,1,0.43,18,578,446.902,3.565,5,0.368,0.69,1.0,0.39502947022136936,0.3403553560413954,0.37099924611061613,0.3349924611061613,0.3603441333698856
EOS-2-06837,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,IPYODRZHCCHLBW-UHFFFAOYSA-N,2,1,0.485,65,578,446.902,3.74,5,0.351,0.73,1.0,0.5989908162565966,0.5657511479679255,0.3748886299773833,0.3540967034473305,0.47343182441230897
EOS-2-06838,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,LSUQOYSKCKSDDC-UHFFFAOYSA-N,2,1,0.505,65,468,446.902,3.74,5,0.351,0.69,1.0,0.4213984648070728,0.48284901651703105,0.3710078130354328,0.35101261051333016,0.40656697621821675
EOS-2-06839,Cc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)nc4)n23)n1,GFFCRCFMEMEULB-UHFFFAOYSA-N,2,1,0.49,87,579,446.902,3.565,5,0.393,0.63,1.0,0.5358611472825714,0.5859262559111781,0.29693818107052294,0.285227194846138,0.4259881947776026
EOS-2-06840,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nn2C)cn1,RZRRIFFEUPYEPU-UHFFFAOYSA-N,2,1,0.457,95,493,446.902,3.565,5,0.368,0.72,1.0,0.38389246795970117,0.3837553971626345,0.3407323007333288,0.3221763415804263,0.35763912685902266
EOS-2-06841,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1C,UHQSSNBVRAZGJN-UHFFFAOYSA-N,2,1,0.511,65,578,446.902,3.565,5,0.368,0.7,1.0,0.7208553217736962,0.7651805907751353,0.32256185319717634,0.2881142485093551,0.5241780035638407
EOS-2-06842,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1,VJDQSXBKHYVAJF-UHFFFAOYSA-N,2,1,0.558,15,187,446.902,3.74,5,0.375,0.7,1.0,0.762764717976835,0.6526797340826537,0.31145055170995817,0.34779144678226304,0.5186716126379275
EOS-2-06843,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccncc5Cl)n34)cn2)c(C)n1,SRFYHNAQGKSPLC-UHFFFAOYSA-N,2,1,0.435,92,468,446.902,4.006,5,0.389,0.76,1.0,0.39912446028373655,0.44803303406209305,0.34074086765814543,0.32522616681516003,0.37828113220478377
EOS-2-06844,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)nn1C,NJCXGPDUOSVJAY-UHFFFAOYSA-N,2,1,0.583,15,438,446.902,3.565,5,0.393,0.73,1.0,0.5358697142073882,0.537882941539305,0.21379617572476184,0.23497361387156465,0.3806306113357549
EOS-2-06845,Cc1ccc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)cc1-c1nccn1C,DOJZLVQMGZQHPN-UHFFFAOYSA-N,2,1,0.489,20,353,446.902,3.565,5,0.393,0.61,1.0,0.5933794805016791,0.5805976286752107,0.2279144678226304,0.24075628812281544,0.4106619662805839
EOS-2-06846,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccn1,IWYOKZVVHRFXTR-UHFFFAOYSA-N,2,1,0.49,75,624,446.902,3.74,5,0.375,0.65,0.999,0.4802875059968474,0.4522222602974436,0.31524569940374203,0.3252347337399767,0.3932475498595024
EOS-2-06847,Cn1ccc(-c2cc(-c3nnc4cncc(OCCCc5cccc(Cl)n5)n34)ccn2)n1,PIEMHDHAGHKIOV-UHFFFAOYSA-N,2,1,0.447,58,241,446.902,3.647,5,0.278,0.67,1.0,0.47291995065451303,0.5015848810910836,0.2138047426495785,0.2464875608251662,0.35869928380508537
EOS-2-06848,CCn1nncc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,SZYCAEKFXKFUCY-UHFFFAOYSA-N,2,1,0.516,15,438,446.902,3.74,5,0.375,0.63,1.0,0.4121547529298883,0.4434925639092591,0.2969467479953396,0.35410527037214723,0.37667483380165856
EOS-2-06849,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)c(C)n1,KXQHETQWZUSHTQ-UHFFFAOYSA-N,2,1,0.523,92,329,446.902,4.006,5,0.363,0.79,1.0,0.3447587553971626,0.3306575971489274,0.32982660544171066,0.2941539305051059,0.32484922212322664
EOS-2-06850,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)nn2C)ccc1Cl,TUADPIYAHBHSQO-UHFFFAOYSA-N,2,1,0.427,95,835,446.902,3.565,5,0.393,0.7,1.0,0.34241141799739566,0.35994791309711466,0.24960592145843327,0.2852357617709547,0.30930025358097457
EOS-2-06851,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,IEBLKFSGZQUAMV-UHFFFAOYSA-N,2,1,0.548,15,931,446.902,3.74,5,0.351,0.74,1.0,0.4780172709204304,0.4787968610787472,0.24236686998834897,0.2763432938112535,0.36888107394969505
EOS-2-06852,CCc1cc(-c2ccc(-c3nnc4cncc(OCc5cccnc5Cl)n34)cn2)n(C)n1,STSXSTMLGZLDDU-UHFFFAOYSA-N,2,1,0.441,55,283,446.902,3.777,5,0.366,0.72,1.0,0.4166780892330889,0.5149921184291687,0.2860838873278048,0.2732077993283531,0.3727404735796039
EOS-2-06853,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)c(C)n1,LVYUEKQMKSNMOW-UHFFFAOYSA-N,2,1,0.456,75,329,446.902,4.006,5,0.363,0.68,1.0,0.3447673223219793,0.37429751216503326,0.33709992461106164,0.30683297923377423,0.3407494345829621
EOS-2-06854,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,RLWMYCJQDIXVDZ-UHFFFAOYSA-N,2,1,0.522,15,734,446.902,3.74,5,0.351,0.68,1.0,0.7144386950860119,0.6377475841272017,0.23511925159344801,0.2704149818381194,0.4644301281611952
EOS-2-06855,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,VSHSJVHNBJHJBM-UHFFFAOYSA-N,2,1,0.563,15,734,446.902,3.74,5,0.375,0.67,1.0,0.7940168597080393,0.6767527928174902,0.26028887670481804,0.29416249742992256,0.5063052566650675
EOS-2-06856,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nn1C,JKIHBFCPPWQGMH-UHFFFAOYSA-N,2,1,0.595,15,438,446.902,3.565,5,0.368,0.74,1.0,0.5962494003152629,0.5806061956000275,0.21711157562881228,0.22297135220341308,0.4042346309368789
EOS-2-06857,CCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,LOMXRMXPYOLHRG-UHFFFAOYSA-N,2,1,0.429,18,711,446.902,3.74,5,0.375,0.68,0.999,0.3278133781097937,0.28576691110958813,0.3114591186347749,0.3190408470975259,0.3110200637379206
EOS-2-06858,CCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cn1,OHMBFLRJNALLFC-UHFFFAOYSA-N,2,1,0.443,18,711,446.902,3.74,5,0.375,0.7,0.999,0.3399184428757453,0.29623569323555615,0.3076811047906244,0.30684154615859094,0.31266919676512916
EOS-2-06859,Cc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1nncn1C,FTEMLHISJCQRPQ-UHFFFAOYSA-N,2,1,0.553,15,438,446.902,3.565,5,0.368,0.64,1.0,0.6387670481803852,0.6143513124528819,0.3788379823178672,0.3770046604071003,0.5022402508395586
EOS-2-06860,CCn1cnnc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,SUUKXYZNFDKAAH-UHFFFAOYSA-N,2,1,0.541,15,438,446.902,3.74,5,0.351,0.69,1.0,0.5591631827839079,0.5519155643890069,0.30768967171544104,0.335001028030978,0.4384423617298334
EOS-2-06861,CC(C)n1nccc1-c1nccnc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,LHQFSAWIGXITGM-UHFFFAOYSA-N,2,1,0.517,4,32,446.902,4.258,5,0.384,0.64,0.994,0.5285706942635872,0.7157151668836954,0.26367281200740184,0.2645894729627853,0.4431370365293674
EOS-2-06862,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1,SHDSKZOPTPBRRJ-UHFFFAOYSA-N,2,1,0.557,15,734,446.902,3.74,5,0.375,0.66,1.0,0.7479525049688164,0.6670207662257556,0.2636813789322185,0.3100969775889247,0.4971879069289288
EOS-2-06863,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,YCFXEZFLTMOXCJ-UHFFFAOYSA-N,2,1,0.474,87,349,446.902,3.74,5,0.375,0.65,1.0,0.35377116030429717,0.38842437118771844,0.36352032074566515,0.370331025974916,0.3690117195531492
EOS-2-06864,CCn1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)ccn2)n1,QJVIASQTZQEQDR-UHFFFAOYSA-N,2,1,0.462,75,606,446.902,4.006,5,0.389,0.7,1.0,0.307432663970941,0.3645312178740319,0.34852820231649645,0.3130439997258584,0.33338402097183195
EOS-2-06865,Cc1c(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nnn1C,VDFBBJWJIOSEBA-UHFFFAOYSA-N,2,1,0.489,15,561,446.902,3.565,5,0.368,0.7,1.0,0.4374271811390583,0.5060910835446508,0.17670139126859022,0.21182578301692825,0.33301135974230694
EOS-2-06866,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cn1,DZBFEJKLKIDLAJ-UHFFFAOYSA-N,2,1,0.49,65,468,446.902,3.74,5,0.351,0.73,1.0,0.4033650880679871,0.4828575834418477,0.35965663765334793,0.3381964909875951,0.3960189500376945
EOS-2-06867,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,PNJQTJLDJSBHPC-UHFFFAOYSA-N,2,1,0.416,18,211,446.902,3.74,5,0.351,0.65,1.0,0.41435645260777193,0.32604859159756017,0.38603419916386816,0.36737543691316565,0.3734536700705915
EOS-2-06868,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,RIENVCWPXSCDHX-UHFFFAOYSA-N,2,1,0.538,65,981,446.902,3.565,5,0.393,0.73,1.0,0.5151291892262353,0.5613220478377082,0.3407494345829621,0.32524330066479334,0.4356109930779247
EOS-2-06869,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cn1,LULQICVZKSZFBH-UHFFFAOYSA-N,2,1,0.505,65,468,446.902,3.74,5,0.375,0.71,1.0,0.42850901240490713,0.49205846069494896,0.3559899938318141,0.3510211774381468,0.40689466109245426
EOS-2-06870,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccc2C)cn1,GFVQUKOGNJNNQY-UHFFFAOYSA-N,2,1,0.461,51,388,446.902,4.006,5,0.389,0.68,1.0,0.42140703173188954,0.4742049893770132,0.34853676924131316,0.31305256665067505,0.3893003392502228
EOS-2-06871,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cn1,OYJHZWNVGJJKAJ-UHFFFAOYSA-N,2,1,0.522,65,981,446.902,3.565,5,0.368,0.74,1.0,0.5002827085189501,0.5564474676170242,0.3444589130285793,0.31306113357549176,0.42856255568501134
EOS-2-06872,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cn2)n1C,BBVLFADCNKLMIL-UHFFFAOYSA-N,2,1,0.607,84,73,446.902,3.565,5,0.393,0.8,1.0,0.5732129394832431,0.6572973065588377,0.1863477486121582,0.25246727434720034,0.41733131725035977
EOS-2-06873,CCn1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)c1,WFTWJIVZCKGVJU-UHFFFAOYSA-N,2,1,0.465,87,227,446.902,3.74,5,0.375,0.57,1.0,0.47802583784524705,0.46119183058049484,0.35966520457816464,0.34133198547049554,0.41005371461860046
EOS-2-06874,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)nn1C,WRKXRGUOORNVLZ-UHFFFAOYSA-N,2,1,0.488,20,279,446.902,3.565,5,0.393,0.67,1.0,0.46291378246864506,0.5332054005894045,0.24961448838324996,0.2437461448838325,0.372369954081283
EOS-2-06875,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccn1,ONMODIXQEYJBRI-UHFFFAOYSA-N,2,1,0.469,75,819,446.902,3.74,5,0.351,0.72,1.0,0.467814063463779,0.43925193612500857,0.2825029127544377,0.2852443286957714,0.3687033102597491
EOS-2-06876,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)nc1,OYALCXTVXVVHRR-UHFFFAOYSA-N,2,1,0.457,31,773,446.902,3.565,5,0.368,0.62,1.0,0.44673086148995955,0.4612003975053115,0.3298351723665273,0.31010554451374134,0.3869679939688849
EOS-2-06877,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)c(C)n1,NKQIMHPNLQDTSP-UHFFFAOYSA-N,2,1,0.415,92,711,446.902,4.006,5,0.389,0.72,1.0,0.2778939072030704,0.2649492838050853,0.3371084915358783,0.3130697005003084,0.2982553457610856
EOS-2-06878,Cc1cncc(CCOc2cncc3nnc(-c4cc(-c5cccc(Cl)c5)n(C)n4)n23)n1,GESXEGJYWCGOFD-UHFFFAOYSA-N,2,1,0.468,95,835,446.902,3.565,5,0.393,0.64,1.0,0.3676667123569324,0.34036392296621204,0.21381330957439518,0.27321636625316975,0.29876507778767736
EOS-2-06879,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,VYVWDDAJLLBPNJ-UHFFFAOYSA-N,2,1,0.455,65,905,446.902,3.74,5,0.351,0.63,1.0,0.4927095469810157,0.4653724898910287,0.44079398259200875,0.4147248303748886,0.4534002124597354
EOS-2-06880,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)n(C)n1,GCOSDGUDVAAWPQ-UHFFFAOYSA-N,2,1,0.554,75,241,446.902,3.565,5,0.368,0.58,1.0,0.49503975053114935,0.4567198958261942,0.329843739291344,0.3068501130834076,0.39711337468302377
EOS-2-06881,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2C)cn1,BRUNMWZIZLKLDG-UHFFFAOYSA-N,2,1,0.429,92,388,446.902,4.006,5,0.389,0.72,1.0,0.31287266122952506,0.4522308272222603,0.3897179768350353,0.3478000137070797,0.37565536974847513
EOS-2-06882,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)cn1,YXQZIORNGWBBAH-UHFFFAOYSA-N,2,1,0.461,15,388,446.902,3.74,5,0.375,0.61,1.0,0.3905404016174354,0.4212785278596395,0.2351278185182647,0.26459803988760194,0.3278861969707354
EOS-2-06883,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1,VSBPNSXIBBDQGT-UHFFFAOYSA-N,2,1,0.43,18,773,446.902,3.74,5,0.351,0.66,1.0,0.5285792611884038,0.452239394147077,0.37101637996024944,0.34780858063189635,0.4249109039819067
EOS-2-06884,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cc4)n23)nc(C)n1,SSXOYNXLXJQHQT-UHFFFAOYSA-N,2,1,0.457,46,330,446.902,4.006,5,0.389,0.66,1.0,0.4467394284147762,0.3884329381125351,0.3152542663285587,0.33178843122472756,0.37055376602014933
EOS-2-06885,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)n(C)n1,CMFDVPPGSMIPAZ-UHFFFAOYSA-N,2,1,0.539,75,241,446.902,3.565,5,0.393,0.57,1.0,0.5026985813172503,0.4920670276197656,0.27873346583510383,0.27042354876293606,0.38598065588376396
EOS-2-06886,Cc1cc(Cl)cc(CCOc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)n1,GGCLSFDRZKPMFT-UHFFFAOYSA-N,2,1,0.451,87,349,446.902,3.565,5,0.393,0.65,1.0,0.4326811047906244,0.44804160098690976,0.4184857103694058,0.3898207799328353,0.4222572990199438
EOS-2-06887,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cn1,CURKXAHIDUWHSZ-UHFFFAOYSA-N,2,1,0.479,87,349,446.902,3.74,5,0.375,0.68,1.0,0.3814851620862175,0.39299910903981905,0.3596737715029813,0.3541138372969639,0.37206796998149544
EOS-2-06888,CCn1nncc1-c1cccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,FBOIGOUSPQVLIK-UHFFFAOYSA-N,2,1,0.469,15,561,446.902,3.74,5,0.351,0.62,1.0,0.434857103694058,0.4742135563018299,0.22084675484887945,0.2732249331779864,0.3507855870056884
EOS-2-06889,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,KEWWNKDYJVEHMU-UHFFFAOYSA-N,2,1,0.489,15,561,446.902,3.74,5,0.351,0.73,1.0,0.48772359673771504,0.487543691316565,0.16999348913713933,0.21737715029812898,0.3406594818723871
EOS-2-06890,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)c1,BLGNXSXFKYNRIG-UHFFFAOYSA-N,2,1,0.458,65,905,446.902,3.74,5,0.375,0.7,1.0,0.47292851757932974,0.4567284627510109,0.44446919333835927,0.44302994996915906,0.45428903090946476
EOS-2-06891,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,NDKGCAAZZVAPIR-UHFFFAOYSA-N,2,1,0.46,65,905,446.902,3.74,5,0.375,0.65,0.996,0.5127475841272017,0.4742221232266466,0.4260503049825235,0.41780035638407237,0.4577050921801111
EOS-2-06892,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)c1,GGQOUQHQQUDLFS-UHFFFAOYSA-N,2,1,0.5,65,981,446.902,3.74,5,0.375,0.68,1.0,0.5814714550065109,0.609502433006648,0.35968233842779795,0.34459598382564594,0.4738130525666506
EOS-2-06893,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,ASBMNJWWIAHYJG-UHFFFAOYSA-N,2,1,0.566,15,187,446.902,3.74,5,0.351,0.65,1.0,0.7770629154958536,0.6964652868206429,0.31526283325337534,0.3317969981495442,0.530147008429854
EOS-2-06894,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)c1,VGTPXCKJDMJYRI-UHFFFAOYSA-N,2,1,0.479,87,304,446.902,3.74,5,0.375,0.66,1.0,0.49271811390583237,0.5859348228359947,0.3076982386402577,0.30685868000822425,0.42330246384757725
EOS-2-06895,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)nn1C,XBFKGZGAMXVAHO-UHFFFAOYSA-N,2,1,0.511,65,142,446.902,3.565,5,0.393,0.6,1.0,0.4702556370365294,0.4971814817353163,0.37489719690219997,0.35102974436296347,0.4233410150092523
EOS-2-06896,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)cn1,XPSGRDKKQKNRHH-UHFFFAOYSA-N,2,1,0.505,65,329,446.902,3.74,5,0.375,0.7,1.0,0.40540401617435406,0.3743060790898499,0.36708416146939893,0.36079603865396476,0.37689757384689193
EOS-2-06897,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,BCUNZXNWEFZMJE-UHFFFAOYSA-N,2,1,0.49,65,981,446.902,3.74,5,0.375,0.73,1.0,0.6103334247138648,0.5613306147625249,0.3559985607566308,0.35412240422178054,0.4704462511137002
EOS-2-06898,Cc1cc(-c2cn(C)nc2C)cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)n1,ANWNKMJDIROYKM-UHFFFAOYSA-N,2,1,0.383,31,544,446.902,3.831,5,0.378,0.7,0.999,0.30237817832910696,0.2911469398944555,0.4110581865533548,0.3413405523953122,0.33648096429305735
EOS-2-06899,CCn1nc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(Cl)c(C)c3)n12,HISPOCOHOFQRGY-UHFFFAOYSA-N,2,1,0.477,16,677,446.902,4.006,5,0.389,0.73,1.0,0.3722243163593996,0.5332139675142211,0.13010588719073402,0.19689363306147625,0.3081094510314578
EOS-2-06900,Cc1cn(C)c(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)n1,APTQQSXFBUYOCI-UHFFFAOYSA-N,2,1,0.495,87,349,446.902,3.565,5,0.393,0.67,0.994,0.5257950106229867,0.5102803097800014,0.2750753889383867,0.28232300733328763,0.39836842916866555
EOS-2-06901,CCn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1Cl,VHQDDXLHSGGEDH-UHFFFAOYSA-N,2,1,0.534,26,361,446.902,3.74,5,0.375,0.67,1.0,0.7509937632787335,0.7908899321499554,0.34446747995339594,0.36080460557878147,0.5617889452402165
EOS-2-06902,Cc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1cnn(C)c1,VYEAEIXEARCTEH-UHFFFAOYSA-N,2,1,0.495,65,349,446.902,3.565,5,0.368,0.69,1.0,0.520295044890686,0.5564560345418409,0.4656037968610787,0.4047700637379206,0.48678123500788156
EOS-2-06903,CCn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccn1,PHDQTJNRFURWJC-UHFFFAOYSA-N,2,1,0.495,65,359,446.902,3.74,5,0.375,0.57,1.0,0.5678072099239257,0.4653810568158454,0.27508395586320333,0.28525289562058803,0.3983812795558906
EOS-2-06904,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccn1,KYHKZKVLCYTIGE-UHFFFAOYSA-N,2,1,0.561,75,329,446.902,3.565,5,0.368,0.66,1.0,0.5002912754437667,0.45224796107189363,0.36709272839421564,0.3350095949557947,0.4136603899664177
EOS-2-06905,CCn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)c1,UFKJIDMBQRQLIZ-UHFFFAOYSA-N,2,1,0.511,75,359,446.902,3.74,5,0.351,0.66,1.0,0.5127561510520183,0.4920755945445823,0.3823332876430676,0.3510383112877801,0.43455083613186213
EOS-2-06906,Cc1c(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)ncn1C,XZMDIUJJGSTAPP-UHFFFAOYSA-N,2,1,0.523,75,359,446.902,3.565,5,0.368,0.55,1.0,0.5933880474264958,0.5564646014666575,0.30770680556507435,0.2852614625454047,0.4357052292509081
EOS-2-06907,CCn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccccn1,RBGANPMPUIRJKY-UHFFFAOYSA-N,2,1,0.424,95,477,446.902,3.74,5,0.375,0.67,0.988,0.3376910424234117,0.23420259063806456,0.13011445411555067,0.19422931944349256,0.22405935165512986
EOS-2-06908,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c1,CWIQAIPRXBJKJL-UHFFFAOYSA-N,2,1,0.516,15,931,446.902,3.74,5,0.375,0.66,1.0,0.46782263038859573,0.5060996504694675,0.19633678294839285,0.252475841272017,0.35568372626961825
EOS-2-06909,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)c1,QZVKSEJPTSRTFA-UHFFFAOYSA-N,2,1,0.485,65,981,446.902,3.74,5,0.351,0.69,1.0,0.5258035775478035,0.6000188472345966,0.3635288876704818,0.3283702282228771,0.4544303851689398
EOS-2-06910,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cn1,XAJDUKPTPJYWFB-UHFFFAOYSA-N,2,1,0.523,75,329,446.902,3.74,5,0.351,0.72,1.0,0.4033736549928038,0.38376396408745117,0.37102494688506615,0.34781714755671306,0.3764949283805086
EOS-2-06911,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)c(Cl)c4)n23)c(C)n1,CVSISYDAOFYQSN-UHFFFAOYSA-N,2,1,0.506,36,610,446.902,3.831,5,0.404,0.72,1.0,0.5232335001028031,0.5703173188952094,0.36353745459529846,0.31617949420875885,0.44331694195051746
EOS-2-06912,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c1,MAYKOTIYJCUSRS-UHFFFAOYSA-N,2,1,0.455,87,905,446.902,3.74,5,0.375,0.65,0.992,0.47803440477006376,0.4522565279967103,0.3710335138098828,0.37701322733191694,0.41958441847714345
EOS-2-06913,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)nn1C,MZLKGJAUKIOMSR-UHFFFAOYSA-N,2,1,0.543,65,981,446.902,3.565,5,0.393,0.66,1.0,0.5436998834898225,0.6143598793776985,0.31146768555959153,0.29722088958947296,0.44168708450414634
EOS-2-06914,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cnc1Cl,GOBFLFJESGFHDR-UHFFFAOYSA-N,2,1,0.48,65,905,446.902,3.74,5,0.351,0.63,1.0,0.5027071482420671,0.547220889589473,0.4079569597697211,0.38617983688575147,0.46101620862175313
EOS-2-06915,CCn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n1,BCEXTSSXOLDAJC-UHFFFAOYSA-N,2,1,0.49,58,981,446.902,3.74,5,0.351,0.75,1.0,0.43486567061887466,0.5061082173942841,0.2932629703241724,0.2823315742581043,0.3791421081488589
EOS-2-06916,CCCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)cn1,ZPYIFYGPUDOSFJ-UHFFFAOYSA-N,2,1,0.478,92,329,446.902,4.087,5,0.347,0.72,1.0,0.3424199849222123,0.27545233363032007,0.3338016585566445,0.32218490850524295,0.31846472140360493
EOS-2-06917,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nn1C,GAYCMUFKLLZEQX-UHFFFAOYSA-N,2,1,0.5,87,838,446.902,3.565,5,0.393,0.58,1.0,0.4754300596257967,0.5015934480159002,0.3189466109245425,0.3003992186964567,0.39909233431567404
EOS-2-06918,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,GTEANRAPCDDFQM-UHFFFAOYSA-N,2,1,0.457,65,905,446.902,3.74,5,0.351,0.62,1.0,0.4729370845041464,0.45226509492152694,0.4294856418340073,0.4018915769995203,0.43914484956480015
EOS-2-06919,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)nn1C,JPILGVJUFXNTFU-UHFFFAOYSA-N,2,1,0.548,75,241,446.902,3.565,5,0.368,0.62,1.0,0.5102717428551847,0.49208416146939893,0.322570420121993,0.2911212391200055,0.4040118908916456
EOS-2-06920,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cn1,HPXSCFQIXPCEPK-UHFFFAOYSA-N,2,1,0.634,84,908,446.902,3.74,5,0.375,0.74,1.0,0.6597217462819547,0.6719724487697896,0.2675022274004523,0.33180556507436093,0.4827504968816394
EOS-2-06921,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1ncnn1C,BQVDVTBUMLDCNB-UHFFFAOYSA-N,2,1,0.548,15,669,446.902,3.565,5,0.368,0.65,1.0,0.6215389623740663,0.5564731683914742,0.3560071276814475,0.3446045507504626,0.46965595229936263
EOS-2-06922,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,XQYMZHREAYWWCU-UHFFFAOYSA-N,2,1,0.46,87,905,446.902,3.74,5,0.375,0.67,0.998,0.49019943800973204,0.45227366184634366,0.3671012953190323,0.3608131725035981,0.4175968919196765
EOS-2-06923,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nn2C)c1,STYXAMZJQODSKU-UHFFFAOYSA-N,2,1,0.439,95,235,446.902,3.565,5,0.393,0.68,1.0,0.344775889246796,0.3306661640737441,0.2860924542526215,0.3035261462545405,0.3162651634569255
EOS-2-06924,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ncn1,NFOFEGBNPPBOGM-UHFFFAOYSA-N,2,1,0.538,31,864,446.902,3.74,5,0.375,0.65,0.987,0.45387567678706053,0.3979079569597697,0.34075800150777874,0.3738263313001165,0.39159199163868136
EOS-2-06925,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)n1C,LCQVCWGYHWXYNW-UHFFFAOYSA-N,2,1,0.547,15,561,446.902,3.565,5,0.368,0.73,1.0,0.6629257761633884,0.6964738537454596,0.17346309368788979,0.20277911041052704,0.4339104585018162
EOS-2-06926,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)c1,XIQXIJULDHUGPO-UHFFFAOYSA-N,2,1,0.441,65,905,446.902,3.74,5,0.351,0.68,0.998,0.4877321636625317,0.46988725926941266,0.3933674868069358,0.3861884038105682,0.4342938283873621
EOS-2-06927,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,OZQJOIRFKBLYRJ-UHFFFAOYSA-N,2,1,0.426,87,227,446.902,3.74,5,0.351,0.71,0.999,0.4491724350627099,0.4168836954286889,0.33711705846069495,0.33501816188061134,0.38454783770817624
EOS-2-06928,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccn1,KZLGPNIXYBSIRW-UHFFFAOYSA-N,2,1,0.505,75,624,446.902,3.74,5,0.375,0.66,1.0,0.5102803097800014,0.4698958261942293,0.3114762524844082,0.310114111438558,0.4004416249742992
EOS-2-06929,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)n(C)n1,RMZCODXMTIIKQD-UHFFFAOYSA-N,2,1,0.662,84,73,446.902,3.565,5,0.393,0.79,1.0,0.41668665615790557,0.47423069015146324,0.24580220683983278,0.2972294565142896,0.3584872524158728
EOS-2-06930,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)c(C)n1,JEUSVNIJVRNMJK-UHFFFAOYSA-N,2,1,0.54,92,43,446.902,4.006,5,0.389,0.71,1.0,0.305085326571174,0.39791652388458637,0.28251147967925433,0.2677078335960524,0.31330529093276677
EOS-2-06931,Cn1c(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc(=O)n1C,XAOFTGWKLIWFFC-UHFFFAOYSA-N,2,1,0.685,43,230,446.898,3.728,5,0.411,0.75,1.0,0.7856469741621548,0.8072099239257077,0.6329329723802344,0.6438815022959359,0.7174178431910082
EOS-2-06932,COc1ccc(-c2nn(C)cc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,MGUCZNNLEZEYQH-UHFFFAOYSA-N,2,1,0.608,43,372,446.898,4.433,5,0.384,0.8,1.0,0.6160561304913988,0.7694640531834692,0.6894404084709752,0.6382016311424851,0.6782905558220821
EOS-2-06933,COc1cc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cc4C)n23)ccc1Cl,OAQDYXAKXXOCRC-UHFFFAOYSA-N,2,1,0.477,13,374,446.898,4.955,5,0.38,0.72,1.0,0.7329004180659311,0.6916164073744089,0.7512250702487835,0.6352974436296347,0.7027598348296895
EOS-2-06934,COc1ccccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n(C)n1,XLTKLDOADWNNRC-UHFFFAOYSA-N,2,1,0.529,1,372,446.898,4.433,5,0.384,0.83,1.0,0.6563635117538208,0.8109622369954081,0.6214447262010828,0.5780618189294771,0.6667080734699472
EOS-2-06935,COc1cc(-c2nnc3cncc(OCc4cccc(-c5ccnn5C)c4)n23)ccc1Cl,MXMOFXPYBLOOPI-UHFFFAOYSA-N,2,1,0.535,43,909,446.898,4.433,5,0.384,0.72,1.0,0.6961654444520595,0.765189157699952,0.7983602905900897,0.7099581934068947,0.742418271537249
EOS-2-06936,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)cc2)cn1,ABKHFHJYPQNOSI-UHFFFAOYSA-N,2,1,0.63,43,322,446.898,3.88,5,0.408,0.76,1.0,0.5563360975944075,0.5472294565142897,0.7209838256459461,0.7258327050921801,0.6375955212117059
EOS-2-06937,COc1cc(-c2nnc3cncc(OCc4c(-c5ccccc5)ncn4C)n23)ccc1Cl,AJIGYYMZLVUECS-UHFFFAOYSA-N,2,1,0.494,1,700,446.898,4.433,5,0.384,0.73,1.0,0.7418699883489822,0.7737218148173531,0.60039579192653,0.5621102049208416,0.6695244500034268
EOS-2-06938,COc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ccnn4C)cc3)n12,OUYCEZGHQWWHPB-UHFFFAOYSA-N,2,1,0.536,43,178,446.898,4.433,5,0.384,0.69,1.0,0.6444126516345693,0.6329586731546843,0.760134672058118,0.6756904941402234,0.6782991227468987
EOS-2-06939,COc1cc(-c2nnc3cncc(OCc4ccc(-n5cnc(C)c5)cc4)n23)ccc1Cl,UJHRTBBNIWWZTO-UHFFFAOYSA-N,2,1,0.529,43,67,446.898,4.526,5,0.381,0.76,1.0,0.6660184360222055,0.6670293331505722,0.8145774792680419,0.7069597697210609,0.7136462545404701
EOS-2-06940,COc1cc(-c2nnc3cncc(OCc4cccc(-c5ccn(C)n5)c4)n23)ccc1Cl,WKTFOWNBYPMYBP-UHFFFAOYSA-N,2,1,0.529,43,909,446.898,4.433,5,0.384,0.76,1.0,0.7238623123843465,0.7865979028168049,0.785612706462888,0.6959941059557261,0.7480167569049414
EOS-2-06941,COc1cc(-c2nnc3cncc(OCc4cnn(C)c4-c4ccccc4)n23)ccc1Cl,WKBYRBDSSJNJFM-UHFFFAOYSA-N,2,1,0.518,43,521,446.898,4.433,5,0.384,0.74,1.0,0.6160646974162155,0.6767613597423069,0.6596360770337879,0.617675279281749,0.6425343533685148
EOS-2-06942,OCc1cc(-c2nnc3cncc(OCCc4ccc(-n5cccn5)cc4)n23)ccc1Cl,SPWLNABDULOCMK-UHFFFAOYSA-N,2,1,0.63,91,309,446.898,3.744,5,0.409,0.73,1.0,0.7020937564251936,0.7737303817421698,0.7896220272770886,0.765266260023302,0.7576781063669384
EOS-2-06943,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5CO)n34)cc2)n1,BDAPAQNGQJKJPX-UHFFFAOYSA-N,2,1,0.566,43,178,446.898,3.917,5,0.425,0.67,1.0,0.7712716743197862,0.7157237338085121,0.8145860461928586,0.7652748269481187,0.7667140703173189
EOS-2-06944,Cn1cc(-c2cccc(-c3nnc4cncc(OCCOc5ccccc5Cl)n34)c2)cn1,HJSDKMDNEPMTJX-UHFFFAOYSA-N,2,1,0.541,91,322,446.898,4.303,5,0.347,0.8,1.0,0.5462699609348228,0.5519241313138236,0.7387173600164485,0.7069683366458775,0.6359699472277431
EOS-2-06945,OCCn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,LBMQPIKLHKFVCG-UHFFFAOYSA-N,2,1,0.61,43,322,446.898,3.88,5,0.408,0.71,1.0,0.6132204783770817,0.6719810156946062,0.710232335001028,0.7231598245493798,0.6796484134055238
EOS-2-06946,N#Cc1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(Cl)nc5)n4)n23)cn1,NZJPBGVDVDFEFZ-UHFFFAOYSA-N,2,1,0.472,4,390,446.883,3.809,5,0.374,0.71,1.0,0.5706257281886095,0.7737389486669864,0.4693475430059626,0.48362003975053114,0.5743330649030224
EOS-2-06947,Clc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)s5)n34)cn2)n1,BNVUDVGWMSRLEX-UHFFFAOYSA-N,2,1,0.291,86,272,446.883,4.409,6,0.395,0.66,0.816,0.002904187512850387,0.0139983551504352,0.31527140017819205,0.41159790281680486,0.18594296141457062
EOS-2-06948,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)cn1,JWYNTNZDELVAKK-UHFFFAOYSA-N,2,1,0.415,46,238,446.883,3.809,5,0.4,0.6,0.999,0.5787043382907272,0.6329672400795011,0.5516414227948736,0.5590089781372078,0.5805804948255775
EOS-2-06949,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)nc1,XLFTWGGFWOOIRG-UHFFFAOYSA-N,2,1,0.389,46,395,446.883,3.809,5,0.4,0.7,0.985,0.587374066205195,0.5806147625248441,0.5312521417312042,0.565348502501542,0.5661473682406963
EOS-2-06950,Fc1nsc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)n1,AXWZASGOXRMCCV-UHFFFAOYSA-N,2,1,0.556,4,32,446.88,3.533,5,0.404,0.75,1.0,0.6689825920087725,0.8336988554588445,0.04844595983825646,0.15627784250565416,0.42685131245288194
EOS-2-06951,Fc1cnccc1-c1ccnc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,QNTPELVYQAYTLP-UHFFFAOYSA-N,2,1,0.642,11,503,446.873,4.662,5,0.377,0.68,1.0,0.7418785552737989,0.7435062709889658,0.8407494345829621,0.8734065519840998,0.7998852032074567
EOS-2-06952,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)cc1Cl,ZGJNHTXAGQZFRM-UHFFFAOYSA-N,2,1,0.747,91,781,446.873,4.662,5,0.377,0.76,1.0,0.9833458981563977,0.9782400109656638,0.8876276471797684,0.8844664519224179,0.933420002056062
EOS-2-06953,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)nc1,FNFUWFVGXSULBI-UHFFFAOYSA-N,2,1,0.605,11,201,446.873,4.662,5,0.353,0.77,1.0,0.977743129326297,0.9756785004454801,0.827213693372627,0.8393016242889453,0.9049842368583373
EOS-2-06954,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ccc(F)cc5)nc4)n23)ccc1Cl,AHFIWHYVVPYCGV-UHFFFAOYSA-N,2,1,0.627,97,293,446.873,4.928,5,0.381,0.73,1.0,0.9642502227400452,0.9655095606880953,0.855141868274964,0.8622267150983483,0.9117820917003632
EOS-2-06955,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)ccc1Cl,YRGSGNRSTXPLBG-UHFFFAOYSA-N,2,1,0.444,97,153,446.873,4.928,5,0.356,0.76,1.0,0.744919813583716,0.6964824206702762,0.8886985127818519,0.883095743951751,0.8032991227468989
EOS-2-06956,Fc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)c1,NHAFQNZCGLKKCT-UHFFFAOYSA-N,2,1,0.573,35,137,446.873,4.662,5,0.377,0.77,1.0,0.9108011788088548,0.9426273045027757,0.8537283256802138,0.8844750188472346,0.8979079569597697
EOS-2-06957,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cccc(-c4ccncn4)c3)n12,YHOJFBRJRJNDIT-UHFFFAOYSA-N,2,1,0.575,88,70,446.873,4.662,5,0.377,0.75,1.0,0.9354567884312247,0.947467617024193,0.8671441299431156,0.8759594955794668,0.9065070077445
EOS-2-06958,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)c2)cn1,URLUXWGRRCGUGI-UHFFFAOYSA-N,2,1,0.511,59,521,446.873,4.928,5,0.381,0.73,1.0,0.8333647453909945,0.8629977383318485,0.8684463025152491,0.8654136111301487,0.85755559934206
EOS-2-06959,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)ccc1Cl,FLNADGQGAPXVEI-UHFFFAOYSA-N,2,1,0.747,91,781,446.873,4.662,5,0.377,0.76,1.0,0.9836885751490645,0.977768830100747,0.887636214104585,0.8831043108765677,0.9330494825577411
EOS-2-06960,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cc(-c4ccncc4)ccn3)n12,LBYXLAFBYYBSIH-UHFFFAOYSA-N,2,1,0.585,11,503,446.873,4.662,5,0.377,0.78,1.0,0.6930642176684257,0.7293879788910973,0.8551504351997807,0.870356726749366,0.7869898396271675
EOS-2-06961,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)nc2)ccn1,SJADNNHNCHGMRX-UHFFFAOYSA-N,2,1,0.612,11,384,446.873,4.662,5,0.353,0.88,1.0,0.8982677678020697,0.9169436639024056,0.8440391337125626,0.862235282023165,0.8803714618600507
EOS-2-06962,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nn1,JDTXYKZGUXRJLV-UHFFFAOYSA-N,2,1,0.704,91,613,446.873,4.662,5,0.377,0.71,1.0,0.9364676855595915,0.9567370296758275,0.8126927558083751,0.8431567404564457,0.8872635528750599
EOS-2-06963,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)cn1,PBWVZCLCOCZRBL-UHFFFAOYSA-N,2,1,0.605,35,137,446.873,4.662,5,0.353,0.75,1.0,0.9193167020766225,0.9441436501953259,0.8581402919607978,0.8787951476937839,0.9000989479816326
EOS-2-06964,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3cccc(-c4ccnnc4)c3)n12,ATWYWKFBNYUTHY-UHFFFAOYSA-N,2,1,0.622,91,660,446.873,4.662,5,0.377,0.72,1.0,0.8309917072167775,0.9356966623260914,0.889880748406552,0.9007607429237201,0.8893324652182852
EOS-2-06965,Cc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccc(Cl)cc1,VDHLOAXOAZYUEA-UHFFFAOYSA-N,2,1,0.483,34,92,446.873,4.928,5,0.381,0.79,1.0,0.7268264683709136,0.7866064697416215,0.7936484819409225,0.8154170379000754,0.7806246144883833
EOS-2-06966,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)c1,YQLMIEYXUMDVFN-UHFFFAOYSA-N,2,1,0.573,11,429,446.873,4.662,5,0.377,0.83,1.0,0.9459855390309094,0.971917620450963,0.8252604345144267,0.8589712836680146,0.9005337194160785
EOS-2-06967,FCc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ccccc1,BZVXIFHTHBFWNJ-UHFFFAOYSA-N,2,1,0.421,1,347,446.873,4.95,5,0.343,0.73,1.0,0.6504180659310533,0.6767699266671235,0.629925981769584,0.690271400178192,0.6618463436364882
EOS-2-06968,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,VNJPKDGMSYBOCO-UHFFFAOYSA-N,2,1,0.6,91,883,446.873,4.662,5,0.377,0.75,1.0,0.9660150092522788,0.9786426564320472,0.8946610924542526,0.901874443149887,0.9352983003221164
EOS-2-06969,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)cc3)n12,FYQSSNWEMAVGNR-UHFFFAOYSA-N,2,1,0.625,91,803,446.873,4.662,5,0.377,0.7,1.0,0.947596120896443,0.9786512233568638,0.8817764375299842,0.8969141936810363,0.9262344938660818
EOS-2-06970,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)c1,NCNDAGPZWNPHAT-UHFFFAOYSA-N,2,1,0.522,11,275,446.873,4.662,5,0.377,0.8,1.0,0.8762507710232335,0.9414108011788088,0.7720341306284696,0.8193835240901925,0.8522698067301762
EOS-2-06971,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)c1,OCAJRDJESKVGFR-UHFFFAOYSA-N,2,1,0.518,11,801,446.873,4.662,5,0.377,0.77,1.0,0.8783325337536838,0.9596497841134947,0.7856212733877047,0.8333647453909945,0.8642420841614695
EOS-2-06972,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)n1,CTXRJELCMHHQDB-UHFFFAOYSA-N,2,1,0.511,11,275,446.873,4.662,5,0.353,0.78,1.0,0.8722071825097663,0.9585703515865944,0.7601432389829347,0.8065931053389076,0.8493784696045508
EOS-2-06973,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cn1,HWTSTQCYGWPVDR-UHFFFAOYSA-N,2,1,0.684,59,11,446.873,4.928,5,0.381,0.78,1.0,0.9493694743334933,0.9090363922966213,0.8992615310808032,0.8844835857720512,0.9105377458707423
EOS-2-06974,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,SZDPLDAPTKMGCF-UHFFFAOYSA-N,2,1,0.612,35,352,446.873,4.662,5,0.353,0.76,1.0,0.9218696456719896,0.9567455966006443,0.8581488588856144,0.8703652936741827,0.9017823487081078
EOS-2-06975,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,YXUJIEVGNZAEMH-UHFFFAOYSA-N,2,1,0.623,91,300,446.873,4.662,5,0.377,0.79,1.0,0.9774432869577137,0.9799533959289973,0.8272222602974436,0.8393101912137619,0.9059822835994791
EOS-2-06976,Cc1nc(Cl)ccc1COc1cncc2nnc(-c3cccc(-c4cc(F)ccn4)c3)n12,XNQQEDFBDZGCAO-UHFFFAOYSA-N,2,1,0.494,1,666,446.873,4.928,5,0.356,0.74,1.0,0.847637242135563,0.7651977246247686,0.8217736961140429,0.8213710506476595,0.8139949283805086
EOS-2-06977,Fc1ccc(CCOc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)c(Cl)c1,LHGODIPSBFWQSL-UHFFFAOYSA-N,2,1,0.595,11,747,446.873,4.662,5,0.377,0.69,1.0,0.8762593379480502,0.9224950311836063,0.7413988074840655,0.7910698375711055,0.8328057535467069
EOS-2-06978,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)ccc1Cl,HDMIGGQINFOYIM-UHFFFAOYSA-N,2,1,0.625,84,360,446.873,4.662,5,0.377,0.87,1.0,0.8895123706394352,0.8876190802549517,0.8640771708587486,0.8734151189089164,0.878655935165513
EOS-2-06979,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,HIBBQGFUBUIYKT-UHFFFAOYSA-N,2,1,0.571,11,384,446.873,4.662,5,0.377,0.84,1.0,0.8154084709752587,0.879771777122884,0.8506870673702968,0.8670327599204989,0.8532250188472346
EOS-2-06980,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccn1,NNSWJJSJQTYZSP-UHFFFAOYSA-N,2,1,0.563,11,275,446.873,4.662,5,0.377,0.69,1.0,0.9218782125968062,0.9022342539921869,0.7765317661572202,0.8213796175724762,0.8555059625796724
EOS-2-06981,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)ccc1Cl,DWTZBTHYIFJMLF-UHFFFAOYSA-N,2,1,0.778,91,781,446.873,4.662,5,0.377,0.76,1.0,0.9762696182578302,0.9786597902816805,0.8790607223631005,0.8788037146186005,0.9281984613803029
EOS-2-06982,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)ccn1,CXYRJBQWOLXZMJ-UHFFFAOYSA-N,2,1,0.571,11,848,446.873,4.662,5,0.353,0.74,1.0,0.9571054074429443,0.9637876087999452,0.8024124460283737,0.8252347337399767,0.8871350490028099
EOS-2-06983,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)cc1,NZPZBDMSBJOXAD-UHFFFAOYSA-N,2,1,0.554,11,275,446.873,4.662,5,0.377,0.73,1.0,0.904555890617504,0.9327068055650743,0.7959872524158728,0.8413062846960455,0.8686390583236241
EOS-2-06984,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)ccc1Cl,IKERBJHZVHMYTR-UHFFFAOYSA-N,2,1,0.654,84,360,446.873,4.662,5,0.377,0.73,1.0,0.8930847782879857,0.8849376327873346,0.8537368926050305,0.8638629977383319,0.8739055753546707
EOS-2-06985,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cncc(-c4ccccn4)c3)n12,QNDQHMZXHYUAKU-UHFFFAOYSA-N,2,1,0.563,84,73,446.873,4.662,5,0.377,0.71,1.0,0.8523404838599137,0.8687290110341992,0.842428551847029,0.857129394832431,0.8551568603933932
EOS-2-06986,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3cncc(-c4ccccn4)c3)n12,IQKOMEUJZURJTH-UHFFFAOYSA-N,2,1,0.581,84,73,446.873,4.662,5,0.377,0.66,1.0,0.8451956685628127,0.8822133506956343,0.8393016242889453,0.8571379617572477,0.8559621513261599
EOS-2-06987,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cn1,JWRZOVIOMAQSAG-UHFFFAOYSA-N,2,1,0.649,59,294,446.873,4.928,5,0.381,0.85,1.0,0.9394232746213419,0.9261017065314234,0.8922966212048523,0.8747172914810499,0.908134723459667
EOS-2-06988,Fc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cncnc1,XTKDDDFBLHJHRV-UHFFFAOYSA-N,2,1,0.724,88,222,446.873,4.662,5,0.377,0.72,1.0,0.9516825440339935,0.9691762045096293,0.8887070797066685,0.9042988828730039,0.9284661777808239
EOS-2-06989,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,AIKVMHHMJVEQFA-UHFFFAOYSA-N,2,1,0.625,91,803,446.873,4.662,5,0.377,0.71,1.0,0.9605493112192447,0.9762439174833801,0.8471232266465629,0.8638715646631485,0.911947005003084
EOS-2-06990,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,NAAFQCKMOCOJGK-UHFFFAOYSA-N,2,1,0.653,91,752,446.873,4.662,5,0.377,0.73,1.0,0.95022616681516,0.9767493660475636,0.8597423069015147,0.8686347748612158,0.9138381536563634
EOS-2-06991,Fc1cc(CCOc2cncc3nnc(-c4cnccc4-c4ccccn4)n23)ccc1Cl,BEWPFWQJJOBGQT-UHFFFAOYSA-N,2,1,0.662,84,360,446.873,4.662,5,0.377,0.75,1.0,0.889520937564252,0.8687375779590158,0.8360461928586115,0.8537968610787472,0.8620253923651566
EOS-2-06992,Cc1c(F)cccc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,NXPLWTYWBVOZCB-UHFFFAOYSA-N,2,1,0.554,34,929,446.873,4.928,5,0.381,0.79,1.0,0.9270697690357069,0.9705811801795627,0.8360547597834281,0.8503615242272634,0.8960168083064902
EOS-2-06993,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)nc1,GZYAUQOAGHRQRY-UHFFFAOYSA-N,2,1,0.588,11,429,446.873,4.662,5,0.377,0.77,1.0,0.9727571790829964,0.9712579672400795,0.8252690014392434,0.8468747858268796,0.9040397333972998
EOS-2-06994,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)cn1,AMXSSUPXHYVBFN-UHFFFAOYSA-N,2,1,0.675,59,294,446.873,4.928,5,0.381,0.8,1.0,0.9331608525803577,0.8930933452128024,0.8972140360496196,0.8788122815434172,0.9005701288465493
EOS-2-06995,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)cn1,NCBRVPCZEOLGKY-UHFFFAOYSA-N,2,1,0.675,59,294,446.873,4.928,5,0.381,0.82,1.0,0.9342402851072579,0.8954920841614694,0.8972226029744363,0.8788208484682338,0.9014439551778493
EOS-2-06996,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cccc(Cl)n5)c4)n23)ccn1,OTTUWKKLIAIAMV-UHFFFAOYSA-N,2,1,0.523,97,666,446.873,4.928,5,0.356,0.7,1.0,0.9476046878212597,0.9070145980398876,0.8640857377835652,0.8503700911520801,0.8922687786991981
EOS-2-06997,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cc1,XMOQFIZWWQBJGZ-UHFFFAOYSA-N,2,1,0.548,11,384,446.873,4.662,5,0.353,0.83,1.0,0.8656192173257488,0.8955006510862861,0.8292611884038106,0.8622438489479817,0.8631562264409567
EOS-2-06998,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c1,GEFWCTWVXBPXEX-UHFFFAOYSA-N,2,1,0.529,11,752,446.873,4.662,5,0.377,0.79,1.0,0.8384791995065451,0.8902919607977521,0.7896305942019053,0.8193920910150092,0.8344484613803029
EOS-2-06999,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cnccc3-c3ccccn3)n12,WCYJLMKGCMILBU-UHFFFAOYSA-N,2,1,0.588,11,672,446.873,4.662,5,0.377,0.7,0.999,0.8260999931464601,0.8741775752175999,0.8197519018573093,0.8503786580768967,0.8426020320745665
EOS-2-07000,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cn1,FPNCLOWIYULZOV-UHFFFAOYSA-N,2,1,0.511,11,848,446.873,4.662,5,0.353,0.8,1.0,0.8982763347268864,0.939911589335892,0.7414073744088822,0.7958501816188062,0.8438613700226167
EOS-2-07001,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1Cl,PBUZDZQVVIAHFV-UHFFFAOYSA-N,2,1,0.511,11,848,446.873,4.662,5,0.353,0.76,0.999,0.9164896168871222,0.9386351175382085,0.7209923925707628,0.7652833938729354,0.8353501302172572
EOS-2-07002,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)cc1,RHYGYLQYZAUVDY-UHFFFAOYSA-N,2,1,0.518,11,801,446.873,4.662,5,0.377,0.79,1.0,0.8722157494345829,0.9516482763347269,0.787446028373655,0.8353265711740113,0.8616591563292441
EOS-2-07003,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cc1,TXULLCVYAUDLSO-UHFFFAOYSA-N,2,1,0.462,11,560,446.873,4.662,5,0.353,0.8,1.0,0.8208570351586595,0.8474402028647796,0.7512336371736001,0.8109708039202248,0.807625419779316
EOS-2-07004,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)c1,UEAOWNNDPHRWIA-UHFFFAOYSA-N,2,1,0.457,11,503,446.873,4.662,5,0.353,0.82,1.0,0.690194297854842,0.7779881433760537,0.7387259269412652,0.8066016722637243,0.7533775101089712
EOS-2-07005,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cc1,DMDOZIFPKIEVMP-UHFFFAOYSA-N,2,1,0.473,11,560,446.873,4.662,5,0.377,0.74,0.998,0.7740987595092865,0.8302720855321774,0.7811750394078542,0.8393187581385786,0.8062161606469741
EOS-2-07006,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)n1,ZNVWBHYGTOHLJG-UHFFFAOYSA-N,2,1,0.462,11,560,446.873,4.662,5,0.353,0.82,1.0,0.8208656020834761,0.8439363306147625,0.7535124391748338,0.8109793708450415,0.8073234356795285
EOS-2-07007,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)c1,QVGBYGKKJXPRDV-UHFFFAOYSA-N,2,1,0.473,11,560,446.873,4.662,5,0.377,0.76,0.998,0.7770714824206703,0.8405352614625454,0.7789476389555205,0.8372883969570283,0.8084606949489411
EOS-2-07008,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)nc1,FPEZOIZXAKKAEX-UHFFFAOYSA-N,2,1,0.489,11,560,446.873,4.662,5,0.377,0.77,0.997,0.8051452950448907,0.8405438283873621,0.7765403330820368,0.8292868891782605,0.8128790864231376
EOS-2-07009,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5Cl)cc4)n23)nc1,DHRGPFAFLFSIQF-UHFFFAOYSA-N,2,1,0.607,11,275,446.873,4.662,5,0.377,0.77,1.0,0.9680539373586458,0.9605493112192447,0.7625248440819683,0.80018504557604,0.8728282845589748
EOS-2-07010,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cccnc1,ABTCIBNTOHHNOV-UHFFFAOYSA-N,2,1,0.598,35,352,446.873,4.662,5,0.353,0.78,1.0,0.9642587896648619,0.9742649578507299,0.8697827427866494,0.8816050990336509,0.922477897333973
EOS-2-07011,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,WUUBTOXWCMVXNJ-UHFFFAOYSA-N,2,1,0.63,11,583,446.873,4.662,5,0.377,0.71,1.0,0.9207302446713728,0.9109896511548214,0.8106709615516414,0.8312572818860942,0.8684120348159825
EOS-2-07012,CCc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1ccccn1,KPOCRLHPADNXAG-UHFFFAOYSA-N,2,1,0.5,13,573,446.873,5.396,5,0.36,0.71,0.903,0.7113374683023782,0.7694726201082859,0.7102409019258447,0.74976869302995,0.7352049208416146
EOS-2-07013,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)cc1Cl,ZRLBWLZKYZVZTE-UHFFFAOYSA-N,2,1,0.72,11,183,446.873,4.662,5,0.377,0.77,1.0,0.9013604276608869,0.8741861421424165,0.8752655746693166,0.8774672743472003,0.8820698547049551
EOS-2-07014,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(Cl)n1,DZSODYFKMMMQAZ-UHFFFAOYSA-N,2,1,0.602,11,595,446.873,4.662,5,0.353,0.71,1.0,0.8895295044890686,0.9130028784867384,0.8145946131176752,0.8393273250633952,0.8641135802892194
EOS-2-07015,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cc(Cl)n2)cc1,NLXVXYBZWHLZRS-UHFFFAOYSA-N,2,1,0.646,11,595,446.873,4.662,5,0.353,0.77,1.0,0.9270783359605236,0.9558375025700775,0.8292697553286272,0.8522205469124803,0.8911015351929271
EOS-2-07016,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cc1,ALYJSOWMNLCYOY-UHFFFAOYSA-N,2,1,0.638,11,595,446.873,4.662,5,0.353,0.76,1.0,0.9524364334178603,0.9585789185114112,0.8407580015077788,0.8622524158727983,0.9035064423274621
EOS-2-07017,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5ccccc5F)cn4)n23)ccc1Cl,RDTCEBCQWVHXHU-UHFFFAOYSA-N,2,1,0.512,59,210,446.873,4.928,5,0.381,0.78,1.0,0.917860324857789,0.95071448152971,0.8407665684325955,0.862260982797615,0.8929005894044274
EOS-2-07018,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5Cl)nc4)n23)c1,VTFPKGWOVWHAHK-UHFFFAOYSA-N,2,1,0.571,11,429,446.873,4.662,5,0.377,0.78,1.0,0.9442121855938592,0.9463367829483929,0.8106795284764581,0.8522291138372969,0.8883644027140017
EOS-2-07019,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,IPTBMKZBYFPZNQ-UHFFFAOYSA-N,2,1,0.588,11,0,446.873,4.662,5,0.353,0.75,1.0,0.9539699129600439,0.962117058460695,0.8127013227331917,0.8292954561030772,0.889520937564252
EOS-2-07020,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)c1,NBTLCHSMJWKPIW-UHFFFAOYSA-N,2,1,0.56,59,210,446.873,4.928,5,0.381,0.78,1.0,0.8406808991844288,0.9528476458090603,0.8180213830443424,0.8372969638818449,0.8622117229799191
EOS-2-07021,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,KMVFGBVHEZFVBM-UHFFFAOYSA-N,2,1,0.641,24,749,446.873,4.662,5,0.377,0.72,1.0,0.9178688917826057,0.8955092180111027,0.7856298403125214,0.817387430607909,0.8540988451785347
EOS-2-07022,Fc1cc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccn1,XWUTWZWMJYNUMJ-UHFFFAOYSA-N,2,1,0.57,11,275,446.873,4.662,5,0.353,0.73,1.0,0.9696131176752792,0.9863785895414982,0.7765489000068535,0.8132153382221917,0.8864389863614556
EOS-2-07023,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)cn1,OUGYNOMDQNDDCQ-UHFFFAOYSA-N,2,1,0.6,11,201,446.873,4.662,5,0.353,0.76,1.0,0.9723973682406963,0.9655181276129121,0.8235813172503598,0.8393358919882119,0.9002081762730451
EOS-2-07024,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)ccc1Cl,YQNCWIQQIZXQOL-UHFFFAOYSA-N,2,1,0.733,24,583,446.873,4.662,5,0.377,0.77,1.0,0.9476132547460764,0.8977537523130698,0.8272308272222603,0.8353351380988281,0.8769832430950586
EOS-2-07025,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cnc1Cl,FFKISLACFRGWAG-UHFFFAOYSA-N,2,1,0.558,11,201,446.873,4.662,5,0.353,0.77,1.0,0.9660235761770954,0.9684308820505791,0.8127098896580084,0.819400657939826,0.8916412514563773
EOS-2-07026,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cccc(-c4cnccn4)c3)n12,XUCHEIQYOYIRBW-UHFFFAOYSA-N,2,1,0.595,11,742,446.873,4.662,5,0.377,0.72,1.0,0.8802343910629841,0.935705229250908,0.8597508738263313,0.8686433417860325,0.8860834589815639
EOS-2-07027,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccccn1,LENHQYHEYOVNRF-UHFFFAOYSA-N,2,1,0.57,11,429,446.873,4.662,5,0.377,0.74,1.0,0.9713522034130628,0.9621256253855116,0.8197604687821259,0.8451785347131794,0.89960420807347
EOS-2-07028,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cn1,FYAOAPSXEHCCJM-UHFFFAOYSA-N,2,1,0.548,11,384,446.873,4.662,5,0.353,0.8,1.0,0.887661914879035,0.8903005277225687,0.8217822630388596,0.8554331437187307,0.8637944623397986
EOS-2-07029,Fc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccc(Cl)cn1,YFOZBUJGVRWFRD-UHFFFAOYSA-N,2,1,0.612,11,275,446.873,4.662,5,0.377,0.73,1.0,0.9586388869851278,0.9548780069906107,0.7765574669316702,0.8087005688438078,0.8746937324378041
EOS-2-07030,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)c1,WZYQJCCVOGELIR-UHFFFAOYSA-N,2,1,0.563,11,275,446.873,4.662,5,0.377,0.72,1.0,0.954792337742444,0.9637961757247618,0.7874545952984716,0.8213881844972929,0.8818578233157426
EOS-2-07031,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1,IEPNAEPJBRMCBR-UHFFFAOYSA-N,2,1,0.659,91,613,446.873,4.662,5,0.377,0.82,1.0,0.9320985539030909,0.9596583510383113,0.8084606949489411,0.8393444589130286,0.884890514700843
EOS-2-07032,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,FBRMXNFTVRMGIP-UHFFFAOYSA-N,2,1,0.533,11,275,446.873,4.662,5,0.377,0.81,1.0,0.9218867795216229,0.9399201562607087,0.767382290453019,0.815425604824892,0.8611537077650606
EOS-2-07033,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)nc1,AXZCAJIFHUZPPK-UHFFFAOYSA-N,2,1,0.539,11,801,446.873,4.662,5,0.377,0.78,1.0,0.8965543828387362,0.9621341923103283,0.7834795421835378,0.8252433006647933,0.8668528544993489
EOS-2-07034,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cccc(-c4cnccn4)c3)n12,TVXVAPQAGGKPDY-UHFFFAOYSA-N,2,1,0.576,88,70,446.873,4.662,5,0.377,0.75,1.0,0.9092334315674045,0.9441522171201425,0.8566496470426975,0.8703738605989993,0.895102289082311
EOS-2-07035,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)nn1,SMVOPBVLPGRHPD-UHFFFAOYSA-N,2,1,0.701,91,613,446.873,4.662,5,0.377,0.83,1.0,0.959923925707628,0.9705897471043794,0.8235898841751764,0.8468833527516962,0.90024672743472
EOS-2-07036,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cc1,XVQXVENSJMUIHK-UHFFFAOYSA-N,2,1,0.605,11,801,446.873,4.662,5,0.353,0.8,1.0,0.9421903913371257,0.9719261873757796,0.8272393941470769,0.8503872250017134,0.8979357994654239
EOS-2-07037,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)c1,AQGVIIHEFLWPTO-UHFFFAOYSA-N,2,1,0.593,35,111,446.873,4.662,5,0.353,0.72,1.0,0.9748732095127133,0.9756870673702968,0.8566582139675142,0.8686519087108492,0.9189675998903434
EOS-2-07038,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cn1,SHDHYVXLXHEUJR-UHFFFAOYSA-N,2,1,0.618,91,111,446.873,4.662,5,0.353,0.77,1.0,0.9731855253238297,0.9782485778904805,0.859759440751148,0.8622695497224316,0.9183657734219725
EOS-2-07039,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cnc1Cl,JKUHKHRCWFZLTJ-UHFFFAOYSA-N,2,1,0.561,35,883,446.873,4.662,5,0.353,0.73,1.0,0.967068741004729,0.9712665341648962,0.8488965800836132,0.8571465286820643,0.9110945959838257
EOS-2-07040,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)cn1,VVCVZJNEKMLTDR-UHFFFAOYSA-N,2,1,0.561,35,111,446.873,4.662,5,0.353,0.77,1.0,0.9731940922486464,0.9746847371667466,0.8581574258104311,0.870382427523816,0.9191046706874101
EOS-2-07041,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cn1,HQRMNGJUCOOGQD-UHFFFAOYSA-N,2,1,0.618,91,111,446.873,4.662,5,0.353,0.75,1.0,0.9736652731135631,0.9782571448152971,0.8597680076759646,0.8622781166472483,0.9184921355630182
EOS-2-07042,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,LAFONRSWCDTYKM-UHFFFAOYSA-N,2,1,0.56,35,429,446.873,4.662,5,0.377,0.75,1.0,0.9579192653005277,0.9655266945377288,0.8471317935713796,0.8734236858337331,0.9110003598108424
EOS-2-07043,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccccn1,DVTGEDAOIGZCKU-UHFFFAOYSA-N,2,1,0.581,11,595,446.873,4.662,5,0.353,0.74,1.0,0.9709666917963128,0.9712751010897128,0.8326622575560277,0.8487166746624631,0.9059051812761292
EOS-2-07044,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cc1,BBSAMZNDZBOEEC-UHFFFAOYSA-N,2,1,0.489,11,560,446.873,4.662,5,0.377,0.76,0.997,0.8051538619697074,0.8405523953121787,0.7765660338564869,0.8293040230278939,0.8128940785415667
EOS-2-07045,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nc1,QFGDHUMROFMVFR-UHFFFAOYSA-N,2,1,0.568,11,595,446.873,4.662,5,0.353,0.78,1.0,0.9331694195051744,0.9243369200191899,0.8252775683640601,0.8413148516208622,0.8810246898773217
EOS-2-07046,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,FFZUEPVHSXZTQI-UHFFFAOYSA-N,2,1,0.529,11,692,446.873,4.662,5,0.377,0.74,1.0,0.7449283805085326,0.7435148379137825,0.7765746007813036,0.8173959975327256,0.770603454184086
EOS-2-07047,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,VZIOUSGTEJXDOX-UHFFFAOYSA-N,2,1,0.523,11,692,446.873,4.662,5,0.377,0.75,1.0,0.7300476321019806,0.7694811870331026,0.8006133918168734,0.8333733123158111,0.783378880816942
EOS-2-07048,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccccn1,NVGXOBITUZTHQG-UHFFFAOYSA-N,2,1,0.575,11,275,446.873,4.662,5,0.377,0.71,1.0,0.9631279555890617,0.9548865739154273,0.7789562058803372,0.8109879377698581,0.8769896682886711
EOS-2-07049,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)c1,YRVVTNXFPACZLO-UHFFFAOYSA-N,2,1,0.586,35,352,446.873,4.662,5,0.353,0.78,1.0,0.8743146460146666,0.915101775066822,0.8551590021245974,0.8802772256870673,0.8812131622232883
EOS-2-07050,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cn2)ccn1,RLLQXNQACVPZCC-UHFFFAOYSA-N,2,1,0.483,59,109,446.873,4.928,5,0.381,0.77,1.0,0.8700054828318826,0.893101912137619,0.8829586731546843,0.8734322527585497,0.879874580220684
EOS-2-07051,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cc1,BQIRFWFFOYPQHU-UHFFFAOYSA-N,2,1,0.548,11,384,446.873,4.662,5,0.353,0.8,1.0,0.8895380714138853,0.8876276471797684,0.8217908299636763,0.8538054280035638,0.8631904941402233
EOS-2-07052,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)ccn1,AOVRUCFHBHXXHM-UHFFFAOYSA-N,2,1,0.625,59,294,446.873,4.928,5,0.381,0.78,1.0,0.915230278939072,0.9187255842642725,0.8934017545062024,0.8774758412720169,0.901208364745391
EOS-2-07053,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)ccn1,RCBCLAQTODHEDR-UHFFFAOYSA-N,2,1,0.625,59,294,446.873,4.928,5,0.381,0.77,1.0,0.9164981838119388,0.9187341511890892,0.8934103214310192,0.8759680625042835,0.9011526797340826
EOS-2-07054,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)ccc1Cl,MOIVXZWWMQUYKN-UHFFFAOYSA-N,2,1,0.541,11,503,446.873,4.662,5,0.377,0.85,1.0,0.8430282365841958,0.8263998355150435,0.8424371187718457,0.8638801315879652,0.8439363306147625
EOS-2-07055,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)ccn1,FZDKVWNTWVVKFG-UHFFFAOYSA-N,2,1,0.466,59,332,446.873,4.928,5,0.381,0.82,1.0,0.8656277842505654,0.8797803440477007,0.869791309711466,0.862286683572065,0.8693715303954492
EOS-2-07056,Fc1cc(-c2ccccc2)ncc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,LHMRQPFOLWBILF-UHFFFAOYSA-N,2,1,0.517,11,275,446.873,4.662,5,0.377,0.7,1.0,0.8762679048728669,0.9022428209170036,0.7154324583647453,0.7798214652868206,0.8184411623603591
EOS-2-07057,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)c1,GNWQWSYYVHOKGM-UHFFFAOYSA-N,2,1,0.593,11,201,446.873,4.662,5,0.353,0.81,1.0,0.9258189980124735,0.959666917963128,0.8164193681036255,0.845187101637996,0.8867730964293057
EOS-2-07058,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nc2)c1,GOTLASOZAHVOQF-UHFFFAOYSA-N,2,1,0.602,84,529,446.873,4.662,5,0.377,0.82,1.0,0.8612500856692482,0.887636214104585,0.8292783222534439,0.8654221780549654,0.8608967000205605
EOS-2-07059,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)c(Cl)c1,RFZICGWQYHTVHA-UHFFFAOYSA-N,2,1,0.658,91,300,446.873,4.662,5,0.377,0.75,1.0,0.9077085189500377,0.9342060174079913,0.814603180042492,0.8312658488109108,0.8719458913028579
EOS-2-07060,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cc(-c4cccnc4)ccn3)n12,MQHXHMBQHNBLCO-UHFFFAOYSA-N,2,1,0.506,11,503,446.873,4.662,5,0.377,0.81,1.0,0.7911640737440888,0.8109708039202248,0.8217993968884929,0.8554417106435473,0.8198439962990884
EOS-2-07061,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)c1,WYFIMXMJBOCXJD-UHFFFAOYSA-N,2,1,0.529,11,752,446.873,4.662,5,0.377,0.78,1.0,0.7596035227194846,0.7866150366664382,0.8342985401960112,0.8604961962853814,0.8102533239668288
EOS-2-07062,Cc1cnc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,RBMQTFJPQLVKJA-UHFFFAOYSA-N,2,1,0.592,34,929,446.873,4.928,5,0.381,0.78,1.0,0.9331779864299911,0.9719347543005963,0.7233825645946131,0.7889452402165719,0.8543601363854432
EOS-2-07063,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)n1,OISYABVDRYPLRO-UHFFFAOYSA-N,2,1,0.511,11,137,446.873,4.662,5,0.353,0.75,1.0,0.8286358028921939,0.9046929614145707,0.7983688575149065,0.8413234185456788,0.8432552600918375
EOS-2-07064,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cc2)n1,PRJHTVPBOUTRRL-UHFFFAOYSA-N,2,1,0.548,43,178,446.873,4.928,5,0.381,0.73,1.0,0.9539784798848605,0.9243454869440065,0.8764820779932835,0.8670413268453157,0.9054618429168666
EOS-2-07065,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cc1,PNTRREMRGDQSIP-UHFFFAOYSA-N,2,1,0.524,11,137,446.873,4.662,5,0.377,0.73,1.0,0.8406894661092454,0.9206274415735728,0.8197690357069426,0.857155095606881,0.8595602597491605
EOS-2-07066,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)nc1,VRLLFEVGQSZFER-UHFFFAOYSA-N,2,1,0.576,11,429,446.873,4.662,5,0.377,0.76,1.0,0.9092419984922212,0.9070231649647043,0.8146117469673086,0.8413319854704955,0.8680522239736823
EOS-2-07067,Cc1ccc(-c2cccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)c2)nn1,LZTTZEDOLUCSGY-UHFFFAOYSA-N,2,1,0.512,43,671,446.873,4.928,5,0.381,0.72,1.0,0.7968867795216229,0.8741947090672332,0.8218079638133096,0.8353437050236447,0.8320582893564525
EOS-2-07068,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccncc1,MMZFWSXJHBERLC-UHFFFAOYSA-N,2,1,0.612,35,352,446.873,4.662,5,0.353,0.76,1.0,0.9502347337399767,0.9676427249674456,0.8776985813172503,0.8873021040367349,0.9207195360153518
EOS-2-07069,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)nn1,SZXJODCTELXIBY-UHFFFAOYSA-N,2,1,0.633,19,691,446.873,4.662,5,0.377,0.77,1.0,0.8587999451716811,0.8977623192378864,0.762533411006785,0.8451956685628127,0.8410728359947912
EOS-2-07070,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nc1,HSEWGXSWIZFYEY-UHFFFAOYSA-N,2,1,0.489,11,848,446.873,4.662,5,0.353,0.77,1.0,0.8876704818038517,0.8931104790624358,0.7463247892536495,0.7864608320197382,0.8283916455349187
EOS-2-07071,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cn2)cn1,NXUIPFMGPOHNIN-UHFFFAOYSA-N,2,1,0.675,11,384,446.873,4.662,5,0.353,0.82,1.0,0.9579278322253444,0.972431635939963,0.8455726132547461,0.8589798505928312,0.9087279830032211
EOS-2-07072,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cc(-c4cccnc4)ccn3)n12,CXPVMAHRWFRMIH-UHFFFAOYSA-N,2,1,0.489,11,503,446.873,4.662,5,0.377,0.83,1.0,0.802609485299157,0.8405609622369954,0.8407751353574121,0.8670498937701323,0.8377488691659242
EOS-2-07073,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)nc1,PXHDSMQHHPXTDA-UHFFFAOYSA-N,2,1,0.688,84,56,446.873,4.662,5,0.377,0.78,1.0,0.9258275649372901,0.9585874854362278,0.7983774244397231,0.8333818792406278,0.8790435885134673
EOS-2-07074,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)c1,CLLLQKIKPJJJLJ-UHFFFAOYSA-N,2,1,0.568,19,691,446.873,4.662,5,0.377,0.79,0.984,0.8912343225275855,0.8955177849359194,0.7463333561784662,0.8174045644575423,0.8376225070248783
EOS-2-07075,CC(Oc1cncc2nnc(-c3ccc(-c4cccnc4)cn3)n12)c1ccc(Cl)c(F)c1,LZQLJRYCTCYRFB-UHFFFAOYSA-N,2,1,0.583,59,529,446.873,5.181,5,0.37,0.72,0.943,0.8523490507847303,0.8369799876636282,0.942233225961209,0.9320385854293742,0.8909002124597355
EOS-2-07076,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)nc1,JKWNMUBUNPWYDO-UHFFFAOYSA-N,2,1,0.676,59,294,446.873,4.928,5,0.381,0.79,1.0,0.9207388115961894,0.9169522308272222,0.8697998766362827,0.8571636625316976,0.891163645397848
EOS-2-07077,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)cc1Cl,DIECYEIWCMRTRH-UHFFFAOYSA-N,2,1,0.714,11,360,446.873,4.662,5,0.377,0.8,1.0,0.9309163182783908,0.9261102734562402,0.8655592488520321,0.8718730724419163,0.8986147282571448
EOS-2-07078,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cccnc1,XWUIPJQLSWHYPE-UHFFFAOYSA-N,2,1,0.593,11,275,446.873,4.662,5,0.377,0.76,1.0,0.9720289904735796,0.9857960386539648,0.7463419231032828,0.798043314371873,0.8755525666506752
EOS-2-07079,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,DGYKQRANRQOPJV-UHFFFAOYSA-N,2,1,0.571,11,56,446.873,4.662,5,0.377,0.83,1.0,0.9309248852032075,0.9612774998286615,0.8024210129531903,0.8293125899527106,0.8809839969844424
EOS-2-07080,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)ccc1Cl,JCRAXLLBTCQSKL-UHFFFAOYSA-N,2,1,0.722,84,56,446.873,4.662,5,0.377,0.85,1.0,0.957936399150161,0.9646014666575287,0.8218165307381262,0.8312744157357275,0.8939072030703858
EOS-2-07081,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,ARHWIPLHJPSSMR-UHFFFAOYSA-N,2,1,0.571,11,56,446.873,4.662,5,0.377,0.79,1.0,0.9321071208279076,0.9630765540401618,0.8043485710369406,0.82525186758961,0.881196028373655
EOS-2-07082,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,GFKJQFPZLCWUDI-UHFFFAOYSA-N,2,1,0.585,91,660,446.873,4.662,5,0.377,0.76,1.0,0.9709752587211294,0.9851792200671647,0.8597765746007813,0.8759766294291002,0.9229769207045438
EOS-2-07083,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,ILOHWSIQQRRDCL-UHFFFAOYSA-N,2,1,0.59,11,56,446.873,4.662,5,0.377,0.81,1.0,0.9218953464464396,0.9585960523610445,0.8084692618737578,0.8232986087314098,0.8780648173531629
EOS-2-07084,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)cn4)n23)ccc1Cl,HQNMHYXFTZHAAU-UHFFFAOYSA-N,2,1,0.547,97,744,446.873,4.928,5,0.356,0.75,1.0,0.8359348228359947,0.922503598108423,0.8934188883558358,0.8831128778013844,0.8837425467754094
EOS-2-07085,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,IMSXIBYCPIIQTI-UHFFFAOYSA-N,2,1,0.549,11,529,446.873,4.662,5,0.377,0.76,1.0,0.8406980330340621,0.882221917620451,0.8326708244808444,0.8571722294565143,0.8531907511479679
EOS-2-07086,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1Cl,DWUYTQDJEDESKO-UHFFFAOYSA-N,2,1,0.722,84,56,446.873,4.662,5,0.377,0.86,1.0,0.9571139743677609,0.9655352614625454,0.8218250976629429,0.8312829826605441,0.8939393290384483
EOS-2-07087,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)ccc1Cl,WGYHVINKUMVWDG-UHFFFAOYSA-N,2,1,0.633,84,529,446.873,4.662,5,0.377,0.83,1.0,0.9285175793297238,0.9022513878418204,0.855167569049414,0.8686604756356658,0.888649252964156
EOS-2-07088,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cccnc1,XGMFIZBOZDNASE-UHFFFAOYSA-N,2,1,0.566,35,429,446.873,4.662,5,0.377,0.77,1.0,0.9727657460078131,0.9736481392639298,0.8612672195188815,0.8816136659584676,0.922323692687273
EOS-2-07089,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2Cl)nc1,ZRQFJEBSACWHPU-UHFFFAOYSA-N,2,1,0.598,11,595,446.873,4.662,5,0.377,0.77,1.0,0.9781200740182304,0.9814954423959975,0.832679391405661,0.8571807963813309,0.912368926050305
EOS-2-07090,Cc1nc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)n1,NCAARFVSHIPIGS-UHFFFAOYSA-N,2,1,0.557,1,23,446.873,4.928,5,0.356,0.81,1.0,0.8949523678980194,0.9261188403810569,0.7983859913645398,0.8194092248646426,0.8597166061270647
EOS-2-07091,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cn2)cn1,HWIUVTMLYNZSLZ-UHFFFAOYSA-N,2,1,0.607,11,732,446.873,4.662,5,0.353,0.83,1.0,0.9364762524844082,0.9638047426495785,0.837605373175245,0.8554502775683641,0.8983341614693989
EOS-2-07092,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nc1,CIXOAWGQPOQFOS-UHFFFAOYSA-N,2,1,0.568,11,201,446.873,4.662,5,0.353,0.75,1.0,0.9298111849770406,0.9206360084983894,0.8164279350284422,0.8333904461654444,0.8750663936673293
EOS-2-07093,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)nc1Cl,HJIPIRLEAVLAMS-UHFFFAOYSA-N,2,1,0.576,11,922,446.873,4.662,5,0.353,0.73,1.0,0.9631365225138784,0.9630851209649784,0.802429579878007,0.8233071756562265,0.8879895997532725
EOS-2-07094,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)cn1,QIASIQIKEFZCKO-UHFFFAOYSA-N,2,1,0.654,11,732,446.873,4.662,5,0.353,0.77,1.0,0.9309334521280241,0.9558460694948941,0.8360633267082448,0.8554588444931808,0.894575423206086
EOS-2-07095,Cc1ccncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c(F)c1,GWGGDCLBJXEJRA-UHFFFAOYSA-N,2,1,0.541,97,71,446.873,4.928,5,0.381,0.67,1.0,0.8310002741415942,0.8849461997121513,0.8725327256527997,0.8686690425604825,0.8642870605167569
EOS-2-07096,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)nc2)cn1,HPUGJWLLLRADDD-UHFFFAOYSA-N,2,1,0.565,11,384,446.873,4.662,5,0.353,0.87,1.0,0.8876790487286683,0.9109982180796381,0.8343071071208279,0.8571893633061476,0.8725434343088205
EOS-2-07097,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2)n1,GZKFBIBJOPTDBI-UHFFFAOYSA-N,2,1,0.523,1,22,446.873,4.928,5,0.381,0.72,1.0,0.8026180522239736,0.8337074223836611,0.7936570488657392,0.7889538071413885,0.8047340826536906
EOS-2-07098,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1Cl,KXNXDMPQQNIZDI-UHFFFAOYSA-N,2,1,0.633,84,529,446.873,4.662,5,0.377,0.83,1.0,0.9270869028853402,0.9047015283393873,0.8551761359742307,0.8703909944486328,0.8893388904118977
EOS-2-07099,Fc1cc(Cl)ccc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)nc1,DZYIWBDPHPAAQO-UHFFFAOYSA-N,2,1,0.522,11,275,446.873,4.662,5,0.377,0.79,1.0,0.8129583304776917,0.8876447810294017,0.769652525529436,0.8132239051470084,0.8208698855458844
EOS-2-07100,Fc1cc(Cl)ccc1-c1cncc(-c2nnc3cncc(OCCc4ccccn4)n23)c1,BIEQCAYXUJRVNX-UHFFFAOYSA-N,2,1,0.575,11,137,446.873,4.662,5,0.377,0.67,1.0,0.8545079158385306,0.9090449592214379,0.8146203138921253,0.8452042354876294,0.8558443561099307
EOS-2-07101,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)c1,HEVORHNMVFCPCA-UHFFFAOYSA-N,2,1,0.467,11,275,446.873,4.662,5,0.377,0.81,1.0,0.8235384826262765,0.8931190459872524,0.7789647728051539,0.8333990130902611,0.8322553286272361
EOS-2-07102,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)ccc1Cl,SGZFKTCZKNNTFF-UHFFFAOYSA-N,2,1,0.697,19,691,446.873,4.662,5,0.377,0.81,0.998,0.9516911109588102,0.9151103419916387,0.7789733397299705,0.8312915495853609,0.8692665855664451
EOS-2-07103,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc2)cc1,PYIVTEQMUSBDMF-UHFFFAOYSA-N,2,1,0.462,11,848,446.873,4.662,5,0.353,0.82,1.0,0.8545164827633472,0.8999468850661366,0.7488177643752998,0.8066102391885409,0.8274728428483311
EOS-2-07104,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2)cc1,AKFRCHZLAKMKIS-UHFFFAOYSA-N,2,1,0.473,11,275,446.873,4.662,5,0.377,0.79,1.0,0.8476458090603797,0.8977708861627031,0.7740644918100199,0.8252604345144267,0.8361854053868824
EOS-2-07105,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)nc2)cn1,ICGIWNIEOUQSCW-UHFFFAOYSA-N,2,1,0.628,11,384,446.873,4.662,5,0.353,0.87,1.0,0.9232917551915565,0.9280035638407237,0.8440477006373792,0.8605047632101981,0.8889619457199642
EOS-2-07106,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,KDHCULNLHRGAMG-UHFFFAOYSA-N,2,1,0.506,84,529,446.873,4.662,5,0.377,0.78,1.0,0.8656363511753821,0.904710095264204,0.8393101912137619,0.867058460694949,0.8691787745870743
EOS-2-07107,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,TUNRLMHZJHQMET-UHFFFAOYSA-N,2,1,0.566,84,749,446.873,4.662,5,0.377,0.78,1.0,0.9309420190528408,0.952856212733877,0.8252861352888767,0.8487252415872798,0.8894524021657186
EOS-2-07108,Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)nn1,FKKJVYBMCUZSEL-UHFFFAOYSA-N,2,1,0.534,43,433,446.873,4.928,5,0.381,0.78,1.0,0.8762764717976835,0.9596754848879446,0.8489051470084299,0.8538139949283805,0.8846677746556095
EOS-2-07109,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)cn3)n12,YYVZFONGFVQMJQ-UHFFFAOYSA-N,2,1,0.535,11,529,446.873,4.662,5,0.377,0.81,1.0,0.8545250496881639,0.884954766636968,0.8440562675621959,0.8622952504968816,0.8614578335960523
EOS-2-07110,Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)nn1,FBVSFIBOOVOVDI-UHFFFAOYSA-N,2,1,0.578,43,433,446.873,4.928,5,0.381,0.75,1.0,0.9246538962374066,0.9684394489753958,0.8725412925776164,0.8686776094852992,0.9085780618189294
EOS-2-07111,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c2)cn1,WPQPUUUNLQAVJS-UHFFFAOYSA-N,2,1,0.539,11,384,446.873,4.662,5,0.353,0.82,1.0,0.805162428894524,0.830280652456994,0.8360718936330614,0.8605133301350147,0.8330070762798985
EOS-2-07112,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,BAUZEOWBUZCGQU-UHFFFAOYSA-N,2,1,0.625,91,660,446.873,4.662,5,0.377,0.79,1.0,0.97516448495648,0.9825577410732643,0.8612757864436982,0.8734408196833665,0.9231097080392022
EOS-2-07113,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)c1,OQTDWOIEDVUVPW-UHFFFAOYSA-N,2,1,0.649,91,300,446.873,4.662,5,0.377,0.68,1.0,0.9219039133712562,0.9280121307655405,0.8043571379617572,0.8213967514221096,0.8689174833801658
EOS-2-07114,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c1,GDFGOLDSFCKILU-UHFFFAOYSA-N,2,1,0.59,84,672,446.873,4.662,5,0.377,0.79,1.0,0.8635288876704817,0.9452402165718594,0.8551847028990474,0.8703995613734494,0.8835883421287095
EOS-2-07115,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccccn1,WPLIPRSNJUEBDC-UHFFFAOYSA-N,2,1,0.568,11,275,446.873,4.662,5,0.377,0.66,1.0,0.9636933726269619,0.9586046192858612,0.7789819066547872,0.8154341717497087,0.8791785175793296
EOS-2-07116,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1,PWHBVTRMFJNPOO-UHFFFAOYSA-N,2,1,0.671,91,613,446.873,4.662,5,0.377,0.83,1.0,0.9811441984785142,0.984887944623398,0.8218336645877595,0.845212802412446,0.9082696525255294
EOS-2-07117,Fc1ccc(-c2cccnc2)cc1-c1nnc2cncc(OCCc3cc(Cl)ccn3)n12,FQINVJXXPGYRAW-UHFFFAOYSA-N,2,1,0.528,11,490,446.873,4.662,5,0.377,0.8,1.0,0.89968131039682,0.902259954766637,0.814628880816942,0.8522376807621136,0.867201956685628
EOS-2-07118,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)ccc1Cl,BUUIBOFJSLEUGK-UHFFFAOYSA-N,2,1,0.747,91,781,446.873,4.662,5,0.377,0.79,1.0,0.9803217736961141,0.9841683229387979,0.8739205674730999,0.8788294153930505,0.9293100198752655
EOS-2-07119,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)nc1,PEWYCHPWHCIFPD-UHFFFAOYSA-N,2,1,0.576,11,922,446.873,4.662,5,0.353,0.75,1.0,0.9563258172846275,0.9669402371324789,0.8218422315125763,0.8393530258378452,0.896115327941882
EOS-2-07120,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cc1Cl,GPWOKRSKUUDWPD-UHFFFAOYSA-N,2,1,0.722,84,360,446.873,4.662,5,0.377,0.83,1.0,0.9233003221163731,0.9496264820779933,0.8698084435610993,0.8734493866081832,0.9040461585909122
EOS-2-07121,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccccn1,OTUVBUCOXXGZFW-UHFFFAOYSA-N,2,1,0.583,11,275,446.873,4.662,5,0.377,0.76,1.0,0.9777516962511137,0.9878606675347817,0.6813874991433075,0.7471986155849496,0.8485496196285381
EOS-2-07122,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2)cc1,DAMHGQFZCAUNLN-UHFFFAOYSA-N,2,1,0.548,11,384,446.873,4.662,5,0.353,0.82,1.0,0.9285261462545404,0.9357137961757248,0.8197776026317593,0.85039579192653,0.8836033342471387
EOS-2-07123,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ncn2)c1,WVTFXHIQURMLJR-UHFFFAOYSA-N,2,1,0.581,44,130,446.873,4.662,5,0.377,0.76,1.0,0.810371119183058,0.8567695839901309,0.8043657048865739,0.8589884175176479,0.8326237063943527
EOS-2-07124,Fc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)ncn3)n12,PBUAXCDCNHDCMM-UHFFFAOYSA-N,2,1,0.595,44,130,446.873,4.662,5,0.377,0.8,1.0,0.9030309780001371,0.9151189089164553,0.8146374477417586,0.8605218970598314,0.8733273079295456
EOS-2-07125,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1Cl,BVHJCERYPYOAGO-UHFFFAOYSA-N,2,1,0.747,91,781,446.873,4.662,5,0.377,0.8,1.0,0.979961962853814,0.9845538345555479,0.8739291343979165,0.880285792611884,0.9296826811047906
EOS-2-07126,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)c1,MSWLQUCEZOVLOA-UHFFFAOYSA-N,2,1,0.593,11,429,446.873,4.662,5,0.377,0.83,1.0,0.9207473785210061,0.9187427181139058,0.821850798437393,0.8571979302309642,0.8796347063258172
EOS-2-07127,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c(Cl)c1,LIOCLPGFRSVHPE-UHFFFAOYSA-N,2,1,0.63,84,732,446.873,4.662,5,0.377,0.78,1.0,0.84998457953533,0.9414193681036255,0.855193269823864,0.8686861764101158,0.8788208484682338
EOS-2-07128,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccn5)n4)n23)ccc1Cl,QDOVCQXIWYTRFM-UHFFFAOYSA-N,2,1,0.552,24,268,446.873,4.928,5,0.381,0.76,0.998,0.8359433897608115,0.915127475841272,0.7874631622232884,0.7980518812966897,0.8341464772805154
EOS-2-07129,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)nn1,ZWRFXNCBIXDFOM-UHFFFAOYSA-N,2,1,0.753,91,613,446.873,4.662,5,0.377,0.81,1.0,0.9865670618874649,0.989968131039682,0.8343156740456446,0.8522462476869302,0.9157742786649304
EOS-2-07130,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(Cl)nn5)c4)n23)cc1,JJXZMQOMZYAKMY-UHFFFAOYSA-N,2,1,0.595,43,613,446.873,4.928,5,0.381,0.78,1.0,0.9748817764375299,0.9463453498732095,0.8752741415941334,0.8704081282982661,0.9167273490507847
EOS-2-07131,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)n1,BXMROIDNWZITHR-UHFFFAOYSA-N,2,1,0.489,11,848,446.873,4.662,5,0.353,0.74,1.0,0.889546638338702,0.895526351860736,0.7463504900280995,0.7842419984922212,0.8289163696799396
EOS-2-07132,OCc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)cc1,PERWNXSBUMEFAP-UHFFFAOYSA-N,2,1,0.525,83,163,446.869,5.535,5,0.384,0.81,1.0,0.9556233294496608,0.9746933040915633,0.9716948804057296,0.97444486327188,0.9691140943047084
EOS-2-07133,OCc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)cc1,RCKJTXQHESAAET-UHFFFAOYSA-N,2,1,0.531,83,163,446.869,5.535,5,0.384,0.84,1.0,0.9680625042834624,0.9831659927352477,0.9748989102871634,0.9769121376190802,0.9757598862312384
EOS-2-07134,Fc1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1,APTKEACFNMBXSH-UHFFFAOYSA-N,2,1,0.725,79,590,446.869,5.955,5,0.322,0.87,1.0,0.9930607908984991,0.9937632787334658,0.963299294085395,0.9671886779521623,0.9793280104173805
EOS-2-07135,Fc1cc(Cl)cc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,UVHHLPALVMHBHH-UHFFFAOYSA-N,2,1,0.635,79,590,446.869,5.955,5,0.322,0.77,1.0,0.964798505928312,0.9646100335823453,0.952676307312727,0.9556832979233775,0.9594420361866904
EOS-2-07136,Fc1ccc(-c2nnc3cncc(OCc4ccc(Oc5cccc(Cl)c5)cc4)n23)cc1,FGWDBOIAJCNIKG-UHFFFAOYSA-N,2,1,0.685,79,590,446.869,5.955,5,0.322,0.83,1.0,0.9888287300390651,0.9881176752792817,0.9607206497155781,0.9657580015077788,0.9758562641354259
EOS-2-07137,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c(Cl)c1,AELDNYDOFNLXDA-UHFFFAOYSA-N,2,1,0.633,79,590,446.869,5.955,5,0.322,0.78,1.0,0.9787540264546638,0.9756956342951134,0.9564371873072441,0.9593927763689946,0.9675699061065041
EOS-2-07138,Fc1cccc(OCc2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1,NTPIKUVDIHWJPP-UHFFFAOYSA-N,2,1,0.649,79,590,446.869,5.955,5,0.322,0.86,1.0,0.987569392091015,0.9913388390103488,0.964618600507162,0.9666660955383456,0.9775482317867179
EOS-2-07139,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)n12,OGUXFIRLLIIRBZ-UHFFFAOYSA-N,2,1,0.627,79,590,446.869,5.955,5,0.322,0.8,1.0,0.9796449866355973,0.9719433212254129,0.9501576314166267,0.9549636762387773,0.9641774038791036
EOS-2-07140,OCc1ccc(-c2ccc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)cc2)cc1,CYONDFSEXCACFL-UHFFFAOYSA-N,2,1,0.538,83,163,446.869,5.535,5,0.384,0.88,1.0,0.9193252690014393,0.9243540538688233,0.9659036392296622,0.9702813378109794,0.944966074977726
EOS-2-07141,COc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1F,FPPHOTLPJNNKDT-UHFFFAOYSA-N,2,1,0.644,83,163,446.869,6.052,5,0.329,0.82,1.0,0.9637019395517785,0.9757042012199301,0.9674885203207456,0.9636505380028785,0.9676362997738331
EOS-2-07142,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5O)n34)c(F)c2)cc1,NOFQOMAYUUXWPK-UHFFFAOYSA-N,2,1,0.448,83,163,446.869,6.057,5,0.363,0.77,1.0,0.8430368035090124,0.9151360427660887,0.9623055308066616,0.9630251524912617,0.9208758823932561
EOS-2-07143,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(Oc4ccccc4)cc3)n12,DSHFULGBIKCZSP-UHFFFAOYSA-N,2,1,0.579,79,590,446.869,5.955,5,0.322,0.83,1.0,0.9246624631622233,0.92436262079364,0.9415050373517923,0.9477845932424097,0.9345786786375163
EOS-2-07144,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Oc1ccccc1,YYAUQETYFZIOEQ-UHFFFAOYSA-N,2,1,0.703,79,590,446.869,5.955,5,0.322,0.85,1.0,0.9918100198752656,0.992932287026249,0.9570797066684943,0.9586988554588445,0.9751302172572134
EOS-2-07145,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)cc1,JJUFEIBPANGRGC-UHFFFAOYSA-N,2,1,0.768,57,23,446.869,5.535,5,0.384,0.74,1.0,0.9909190596943321,0.982566307998081,0.9692704406826126,0.970289904735796,0.9782614282777053
EOS-2-07146,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)n12,OWZVXVNJAYGJCG-UHFFFAOYSA-N,2,1,0.633,79,590,446.869,5.955,5,0.322,0.82,1.0,0.9808786238091974,0.9762524844081968,0.9564457542320609,0.9587074223836611,0.968071071208279
EOS-2-07147,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2)cc1,FFAVVGGADPPJSZ-UHFFFAOYSA-N,2,1,0.59,83,23,446.869,5.535,5,0.384,0.72,1.0,0.9762781851826469,0.9762610513330136,0.9664176547186621,0.9687050236447124,0.9719154787197587
EOS-2-07148,Cc1ncnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)n1,ZRYYUHRCUQIYJT-UHFFFAOYSA-N,2,1,0.417,31,194,446.862,2.412,5,0.383,0.61,0.308,0.6752278802001234,0.5613391816873415,0.10230621616064697,0.12575388938386678,0.36615679185799466
EOS-2-07149,Cc1nncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)n1,GIZQFHZCIGUWDB-UHFFFAOYSA-N,2,1,0.458,53,602,446.862,2.412,5,0.383,0.66,0.998,0.6387756151052019,0.6526883010074703,0.0830306353231444,0.10737783565211431,0.3704680967719827
EOS-2-07150,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)n1,QJFXKZNBYDEZAY-UHFFFAOYSA-N,2,1,0.449,20,279,446.862,2.412,5,0.383,0.65,1.0,0.6160732643410322,0.7652062915495854,0.06558837639640874,0.08722842848331162,0.3835240901925845
EOS-2-07151,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)ncn2)c(C)n1,SAAYNHKTBUVQKW-UHFFFAOYSA-N,2,1,0.378,7,113,446.862,2.678,5,0.371,0.63,1.0,0.5758686861764101,0.48286615036666436,0.13292440545541773,0.10521897059831403,0.32421955314920153
EOS-2-07152,Cc1nc(-c2cnc(Cl)nc2)cc(-c2nnc3cncc(OCCc4cccnn4)n23)n1,NLFZMXUBNARXLY-UHFFFAOYSA-N,2,1,0.39,31,851,446.862,2.412,5,0.358,0.66,1.0,0.495048317455966,0.5016020149407169,0.07625419779316017,0.08723699540812829,0.2900353813994928
EOS-2-07153,Cc1ncncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)cnn1,UWZYKUIJKAOSEB-UHFFFAOYSA-N,2,1,0.44,92,779,446.862,2.412,5,0.383,0.56,1.0,0.5540315948187239,0.6281097937084504,0.12708176273045027,0.1641765471866219,0.36834992461106164
EOS-2-07154,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)c[nH]1,PFHWSBOUOZTKMK-UHFFFAOYSA-N,2,1,0.44,20,279,446.862,2.121,5,0.403,0.68,0.992,0.5989993831814132,0.6233722842848332,0.15729730655883764,0.16418511411143855,0.38596352203413065
EOS-2-07155,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)[nH]1,AFJFUZKNHSKRII-UHFFFAOYSA-N,2,1,0.458,7,390,446.862,2.387,5,0.418,0.67,0.996,0.4754386265506134,0.5150006853539854,0.17347166061270647,0.15628640943047084,0.33004934548694403
EOS-2-07156,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cnn2)nn1,JSEPLNKXKJBQHV-UHFFFAOYSA-N,2,1,0.474,53,779,446.862,2.412,5,0.383,0.55,0.994,0.607566307998081,0.6767784935919402,0.07851586594476047,0.12142759235144952,0.3710720649715578
EOS-2-07157,N=c1nc(-c2cnccn2)cc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)[nH]1,OQVGPQNDOGEJLV-UHFFFAOYSA-N,2,1,0.408,65,324,446.862,2.121,5,0.377,0.64,1.0,0.47026420396134605,0.3214824206702762,0.19291001302172572,0.2027876773353437,0.29686107874717294
EOS-2-07158,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)cn2)c[nH]1,VLCJCUUDCOQYRO-UHFFFAOYSA-N,2,1,0.45,87,779,446.862,2.121,5,0.403,0.73,1.0,0.5873826331300116,0.6377561510520183,0.170002056061956,0.18878932218490851,0.3959825406072236
EOS-2-07159,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)n(C)n1,ANCCJLSBBUNJCC-UHFFFAOYSA-N,2,1,0.462,36,404,446.862,2.424,5,0.403,0.59,1.0,0.4012661914879035,0.7064543211568776,0.25323829758070043,0.2972380234391063,0.41454920841614695
EOS-2-07160,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)n1,QLVFVCQXOBKIJQ-UHFFFAOYSA-N,2,1,0.455,31,602,446.862,2.412,5,0.383,0.64,1.0,0.6243317798642999,0.7779967103008704,0.0676787060516757,0.08024638475772737,0.3875633952436433
EOS-2-07161,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)cn1,ALFHAKFZLAUAPA-UHFFFAOYSA-N,2,1,0.367,31,296,446.862,2.412,5,0.383,0.63,0.884,0.5358782811322048,0.49719004866013294,0.08303920224796107,0.09690905352614626,0.3032541463916113
EOS-2-07162,N=c1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)c[nH]1,PSQDVQNYGAGEHX-UHFFFAOYSA-N,2,1,0.454,75,279,446.862,2.121,5,0.403,0.7,0.985,0.5787129052155439,0.5657597148927421,0.16385100404358852,0.16953944212185593,0.3694657665684326
EOS-2-07163,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(OCc5cccnc5Cl)n34)cn2)[nH]1,ORWNEYYGIASBMC-UHFFFAOYSA-N,2,1,0.418,55,283,446.862,2.387,5,0.391,0.7,1.0,0.5308494962648208,0.5242443972311699,0.1895089438695086,0.1695480090466726,0.353537711603043
EOS-2-07164,N=c1ncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)c[nH]1,YUIYBGORYHCHAY-UHFFFAOYSA-N,2,1,0.474,65,434,446.862,2.121,5,0.377,0.7,1.0,0.6992752381605098,0.7064628880816942,0.24237543691316565,0.20279624426016038,0.46272745185388253
EOS-2-07165,COc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)cn1,MHFDGSFHYGKENN-UHFFFAOYSA-N,2,1,0.404,55,85,446.858,3.279,5,0.362,0.79,1.0,0.5514101158248236,0.6422966212048523,0.40796552669453773,0.3382050579124118,0.48496933040915635
EOS-2-07166,O=c1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)n[nH]1,CQHUNAOVDFUVOL-UHFFFAOYSA-N,2,1,0.441,72,482,446.858,2.606,5,0.422,0.72,1.0,0.5903210883421287,0.5906980330340621,0.282520046604071,0.3318141319991776,0.44883832499485987
EOS-2-07167,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)n[nH]1,VRZREMXKBCDZBG-UHFFFAOYSA-N,2,1,0.474,72,482,446.858,2.606,5,0.422,0.67,1.0,0.7510023302035501,0.7157323007333287,0.29695531492015625,0.34134911932012885,0.526259766294291
EOS-2-07168,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,KJYQNDAYPLRDDR-UHFFFAOYSA-N,2,1,0.39,53,207,446.858,2.763,5,0.392,0.63,1.0,0.4421132890137756,0.46120896443012815,0.5280995133986705,0.5089181687341512,0.4850849838941813
EOS-2-07169,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)cn1,KVFDKHHAVJNVCO-UHFFFAOYSA-N,2,1,0.457,46,238,446.858,2.763,5,0.392,0.59,0.784,0.5027157151668837,0.42563909259132343,0.48995956411486535,0.4526934411623604,0.4677519532588582
EOS-2-07170,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cc2)cc1=O,ABBWMLZXKPQOJP-UHFFFAOYSA-N,2,1,0.473,4,470,446.858,2.574,5,0.378,0.69,1.0,0.4780429716948804,0.5016105818655335,0.39717976835035296,0.39265643204715234,0.4423724384894798
EOS-2-07171,Clc1ccc(CCOc2cncc3nnc(-c4cnc(Oc5ccccc5)nc4)n23)nn1,MHISRHQRDFOTKK-UHFFFAOYSA-N,2,1,0.462,72,132,446.858,3.439,5,0.371,0.75,1.0,0.5489514084024398,0.5061167843191008,0.2069683366458776,0.22922520731958057,0.3728154341717497
EOS-2-07172,OCc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccncc5Cl)n34)ncn2)c1,MBXJIHSWYQVHOL-UHFFFAOYSA-N,2,1,0.384,46,395,446.858,2.763,5,0.419,0.71,0.246,0.6017750668220135,0.47880542800356385,0.5281080803234871,0.5125676787060517,0.530314063463779
EOS-2-07173,OCc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cn1,WDJGJRXHZDSNOH-UHFFFAOYSA-N,2,1,0.462,55,283,446.858,2.763,5,0.419,0.67,1.0,0.6103419916386814,0.637764717976835,0.44080254951682546,0.4241827153724899,0.5282729936262079
EOS-2-07174,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)ccc1=O,LINPRABPLGMDDY-UHFFFAOYSA-N,2,1,0.451,55,283,446.858,2.574,5,0.404,0.73,0.988,0.5437084504146391,0.46990439311904597,0.307715372489891,0.3283787951476938,0.4124267527928175
EOS-2-07175,Oc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cncnc1,LDDGBZQWQLVFMB-UHFFFAOYSA-N,2,1,0.462,20,279,446.858,3.019,5,0.419,0.58,0.999,0.7329089849907477,0.7866236035912549,0.39337605373175244,0.40823110136385443,0.5802849359194023
EOS-2-07176,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cnccn1,YJXSWLPHZILNPC-UHFFFAOYSA-N,2,1,0.468,4,224,446.858,3.279,5,0.387,0.69,1.0,0.6660270029470221,0.6095109999314646,0.42605887190734015,0.3608217394284148,0.5156046535535604
EOS-2-07177,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nc2)cc1=O,NLTUWADWWWDCAU-UHFFFAOYSA-N,2,1,0.415,46,959,446.858,2.574,5,0.378,0.77,1.0,0.4538842437118772,0.36952573504214925,0.3933846206565691,0.38315571242546775,0.39998757795901585
EOS-2-07178,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)cn1,LWADRGRCZDTBID-UHFFFAOYSA-N,2,1,0.477,55,879,446.858,3.279,5,0.362,0.75,1.0,0.7175998903433624,0.5952813378109794,0.42238366116098963,0.32838736207251046,0.5159130628469605
EOS-2-07179,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)cn1,PLORJQAYCGYSOZ-UHFFFAOYSA-N,2,1,0.374,18,160,446.858,2.763,5,0.392,0.74,1.0,0.4902080049345487,0.49209272839421564,0.3596909053526146,0.3541309711465972,0.42403065245699406
EOS-2-07180,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncncn1,MUHOCMXLSYOUSR-UHFFFAOYSA-N,2,1,0.527,15,563,446.858,3.019,5,0.419,0.52,0.998,0.9045644575423206,0.8264084024398601,0.38234185456788433,0.37033959289973273,0.6209135768624495
EOS-2-07181,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cccnn1,OBGNGEPHQKWOCN-UHFFFAOYSA-N,2,1,0.469,72,224,446.858,3.279,5,0.387,0.73,1.0,0.6930727845932424,0.6622489891028717,0.4147590980741553,0.36083030635323143,0.5327277945308753
EOS-2-07182,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cc1=O,DJPSRYZABLFZEM-UHFFFAOYSA-N,2,1,0.389,46,62,446.858,2.574,5,0.404,0.69,1.0,0.4260845726817901,0.2803954492495374,0.38972654375985194,0.40190014392433693,0.3745266774038791
EOS-2-07183,Cn1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cc1=O,MUCXJNNMBITSTP-UHFFFAOYSA-N,2,1,0.494,2,419,446.858,2.574,5,0.404,0.64,1.0,0.35856863820163115,0.39300767596463576,0.3971883352751696,0.4047786306627373,0.38838582002604344
EOS-2-07184,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2)n[nH]1,XIQSGNPEMFXISJ-UHFFFAOYSA-N,2,1,0.458,15,846,446.858,2.606,5,0.422,0.53,1.0,0.693081351518059,0.6475824138167363,0.30430573641285724,0.3446131176752793,0.49739565485573295
EOS-2-07185,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c2)cc1=O,YAVXMIKWLODEMS-UHFFFAOYSA-N,2,1,0.452,16,470,446.858,2.574,5,0.404,0.68,1.0,0.3769703927078336,0.36953430196696596,0.3261942293194435,0.3478257144815297,0.3551311596189432
EOS-2-07186,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cc1=O,PLBTZSDOASWZJL-UHFFFAOYSA-N,2,1,0.396,46,160,446.858,2.574,5,0.378,0.64,1.0,0.4054125830991707,0.25486601329586733,0.3933931875813858,0.38619697073538484,0.3599671886779522
EOS-2-07187,Cn1cccc(-c2nncnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1=O,LWJPWTVYYKGCTM-UHFFFAOYSA-N,2,1,0.506,4,32,446.858,2.574,5,0.404,0.66,0.998,0.6504266328558701,0.6622575560276883,0.22417072167774654,0.32525186758961006,0.46552669453772877
EOS-2-07188,Oc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cnc(Cl)nc1,KHTCLFRFIKELEJ-UHFFFAOYSA-N,2,1,0.489,20,846,446.858,3.019,5,0.392,0.58,1.0,0.8286443698170105,0.8474487697895964,0.39719690219998627,0.37383489822493315,0.6117812350078816
EOS-2-07189,OCc1cc(-c2cncnc2)cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)n1,XGAPHOSPXVMLKY-UHFFFAOYSA-N,2,1,0.432,46,435,446.858,2.763,5,0.419,0.65,0.976,0.42609313960660683,0.4788139949283805,0.46561236378589543,0.4622027277088616,0.45818055650743605
EOS-2-07190,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cncnc1,VGDMCCCZIBGXID-UHFFFAOYSA-N,2,1,0.463,4,83,446.858,3.279,5,0.387,0.66,1.0,0.6535192927146871,0.6329758070043178,0.4931635939962991,0.42419128229730657,0.5509624940031527
EOS-2-07191,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2)cn1,XXPFKCLXCJQRTH-UHFFFAOYSA-N,2,1,0.469,56,815,446.858,3.279,5,0.387,0.75,1.0,0.6812247275717909,0.6767870605167569,0.36710986224384895,0.3068672469330409,0.5079972243163593
EOS-2-07192,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n[nH]1,RQQPBFSIDGYAKD-UHFFFAOYSA-N,2,1,0.48,58,56,446.858,2.606,5,0.395,0.67,0.999,0.6689911589335892,0.671989582619423,0.3671184291686656,0.38009732026591736,0.5220491227468987
EOS-2-07193,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1cnccn1,ZKWVJLMZVOBTJS-UHFFFAOYSA-N,2,1,0.453,7,815,446.858,3.279,5,0.387,0.61,1.0,0.7113460352271949,0.6329843739291344,0.4479730655883764,0.3673840038379823,0.539921869645672
EOS-2-07194,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccncn1,VOYDLUXHWJQSLV-UHFFFAOYSA-N,2,1,0.458,72,224,446.858,3.279,5,0.387,0.66,1.0,0.717608457268179,0.6329929408539511,0.4444777602631759,0.3703481598245494,0.5413568295524639
EOS-2-07195,COc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)cnn4)n23)ccc1Cl,NOHKCBVUFPJAOT-UHFFFAOYSA-N,2,1,0.467,4,67,446.858,3.279,5,0.387,0.61,1.0,0.6930899184428757,0.8072184908505243,0.5779161812075937,0.5191128092659859,0.6493343499417449
EOS-2-07196,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cn1,PYEFFLVADZSYDU-UHFFFAOYSA-N,2,1,0.473,75,99,446.858,2.763,5,0.419,0.65,1.0,0.5648516208621753,0.5242529641559865,0.44798163251319306,0.4338462065656912,0.4927331060242615
EOS-2-07197,Cn1cnc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1=O,KZOXWOGLUFWXAJ-UHFFFAOYSA-N,2,1,0.415,2,422,446.858,2.574,5,0.378,0.59,1.0,0.48029607292166404,0.4212870947844562,0.4444863271879926,0.4241998492221232,0.442567336029059
EOS-2-07198,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)cn1,XQLINLGSVJVIEF-UHFFFAOYSA-N,2,1,0.462,75,99,446.858,2.763,5,0.392,0.61,1.0,0.5410698375711055,0.5378915084641217,0.46213419231032826,0.43385477349050783,0.49373757795901585
EOS-2-07199,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)cn1,QQZZRTIIZBMVMB-UHFFFAOYSA-N,2,1,0.517,75,99,446.858,2.763,5,0.392,0.68,1.0,0.5385425947501885,0.4921012953190323,0.4553149201562607,0.4212870947844562,0.47681147625248443
EOS-2-07200,COc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1cncnc1,IZXSAFRTVRNIJN-UHFFFAOYSA-N,2,1,0.419,51,83,446.858,3.279,5,0.362,0.57,1.0,0.7940254266328559,0.7016397094099103,0.4516225755602769,0.3862055376602015,0.5833733123158111
EOS-2-07201,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cncnc1,GADZKJAVVLKSBD-UHFFFAOYSA-N,2,1,0.443,51,196,446.858,3.279,5,0.387,0.64,1.0,0.8235470495510931,0.6866475909807416,0.4479901994380097,0.38621410458501815,0.5860997361387157
EOS-2-07202,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1=O,JOFOGMWIUSYJCV-UHFFFAOYSA-N,2,1,0.375,46,565,446.858,2.574,5,0.378,0.65,1.0,0.40998732095127133,0.2962442601603728,0.40435885134672056,0.3988331848399698,0.37735590432458366
EOS-2-07203,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)cn1,AUYVYEXFLDVKFQ-UHFFFAOYSA-N,2,1,0.467,55,903,446.858,3.279,5,0.362,0.7,1.0,0.5540401617435405,0.5907065999588788,0.3371256253855116,0.2732335001028031,0.43877647179768353
EOS-2-07204,COc1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1cnccn1,WLPQUEKNXAYBHK-UHFFFAOYSA-N,2,1,0.467,49,119,446.858,3.279,5,0.387,0.54,1.0,0.5078044685079843,0.5061253512439174,0.3152799671030087,0.28527002947022134,0.40361995408128293
EOS-2-07205,COc1ccncc1COc1cncc2nnc(-c3cccnc3-c3ncc(Cl)cn3)n12,SUYNDJGRIJNSJN-UHFFFAOYSA-N,2,1,0.435,55,775,446.858,3.279,5,0.387,0.63,1.0,0.7208638886985128,0.6045935850866972,0.2896734288259886,0.25248440819683365,0.46690382770200806
EOS-2-07206,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cnncn1,ZKRLYFKXQUSGCU-UHFFFAOYSA-N,2,1,0.473,16,591,446.858,3.279,5,0.387,0.61,1.0,0.8261085600712769,0.647590980741553,0.5905952299362621,0.5089267356589678,0.6433053766020149
EOS-2-07207,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2)ccc1=O,SFZBTMFGHHMBGA-UHFFFAOYSA-N,2,1,0.465,4,22,446.858,2.574,5,0.404,0.67,1.0,0.5078130354328011,0.5016191487903502,0.2787420327599205,0.29112980604482214,0.39482600575697346
EOS-2-07208,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nn4)n23)ccc1Cl,VWJNCLLREWFSHS-UHFFFAOYSA-N,2,1,0.529,4,67,446.858,3.279,5,0.387,0.71,1.0,0.6415341648961689,0.7989428414776232,0.3749057638270167,0.3608388732780481,0.5440554108697142
EOS-2-07209,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5cncnc5Cl)n34)c2)cn1,GKXJHPUIMPLJBC-UHFFFAOYSA-N,2,1,0.434,16,55,446.858,2.763,5,0.392,0.58,1.0,0.6535278596395038,0.5752861352888767,0.4553234870810774,0.4368703310259749,0.5302519532588582
EOS-2-07210,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccccn1,VTEZDLGPMQZSQY-UHFFFAOYSA-N,2,1,0.429,49,501,446.858,3.279,5,0.387,0.55,0.999,0.5962579672400795,0.5016277157151668,0.18635631553697485,0.16955657597148927,0.3634496436159276
EOS-2-07211,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)n4)n23)ccc1Cl,FEBJQKLGZRUCKT-UHFFFAOYSA-N,2,1,0.505,4,67,446.858,3.279,5,0.387,0.74,1.0,0.6783034062093071,0.8226132547460764,0.36712699609348226,0.335026728805428,0.5507675964635734
EOS-2-07212,O=c1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)n[nH]1,DHUXJTZXPGTEQS-UHFFFAOYSA-N,2,1,0.465,87,307,446.858,2.606,5,0.422,0.65,0.987,0.5334795421835378,0.5195668562812693,0.3635460215201151,0.39266499897196905,0.4523143547392228
EOS-2-07213,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)ccc1-c1cncnc1C,ZUJFFAXIHFWBLK-UHFFFAOYSA-N,2,1,0.337,49,122,446.858,3.801,5,0.372,0.66,0.983,0.6103505585634981,0.515009252278802,0.37491433075183334,0.297246590363923,0.4493801829895141
EOS-2-07214,COc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1cnccn1,BARFJWAYDRVORZ-UHFFFAOYSA-N,2,1,0.424,51,248,446.858,3.279,5,0.362,0.68,1.0,0.7770800493454869,0.6767956274415736,0.382350421492701,0.3221934754300596,0.5396048934274553
EOS-2-07215,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1,UHQXGPHQCMJFGT-UHFFFAOYSA-N,2,1,0.44,4,617,446.858,3.279,5,0.387,0.76,1.0,0.5437170173394559,0.6143684463025153,0.37884654924268385,0.30687581385785756,0.46095195668562816
EOS-2-07216,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)cn1,GYIRTJQEWVOXHS-UHFFFAOYSA-N,2,1,0.382,46,238,446.858,2.763,5,0.392,0.58,1.0,0.492726680830649,0.46538962374066206,0.4965646631485162,0.46221129463367827,0.47922306558837635
EOS-2-07217,OCc1cnc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,SAGSXGINKJQFKO-UHFFFAOYSA-N,2,1,0.432,2,858,446.858,2.763,5,0.419,0.64,1.0,0.5203036118155027,0.5472380234391063,0.49657323007333287,0.4774689877321637,0.5103959632650263
EOS-2-07218,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cnncn1,WELUIMXMLRIBSL-UHFFFAOYSA-N,2,1,0.474,4,224,446.858,3.279,5,0.362,0.65,1.0,0.6721180864916729,0.595289904735796,0.510700089096018,0.4368788979507916,0.5537467445685696
EOS-2-07219,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,FHFKHEKBMHCTDZ-UHFFFAOYSA-N,2,1,0.478,4,506,446.858,2.763,5,0.419,0.69,1.0,0.5358868480570215,0.5423634432184223,0.37104208073469946,0.37035672674936604,0.4549122746898774
EOS-2-07220,O=c1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)n[nH]1,PKEZIIOOYUZTSA-UHFFFAOYSA-N,2,1,0.412,18,181,446.858,2.606,5,0.395,0.61,1.0,0.49760982797614967,0.3837725310122678,0.36713556301829897,0.3862226715098348,0.40868514837913783
EOS-2-07221,COc1nc(-c2nnc3cncc(Oc4cc(O)ccc4Cl)n23)ccc1-c1ccccn1,AOJODNANNFQSFU-UHFFFAOYSA-N,2,1,0.374,49,703,446.854,4.408,5,0.423,0.65,0.739,0.632710232335001,0.5332225344390378,0.5748834898224933,0.5191213761908026,0.5649844081968336
EOS-2-07222,CCc1nc(OC(F)F)ncc1COc1cncc2nnc(-c3ccc(Cl)c(C)c3)n12,NCSXWXSNCJZFIJ-UHFFFAOYSA-N,2,1,0.511,68,12,446.845,4.286,4,0.418,0.73,1.0,0.79959392776369,0.8369885545884449,0.697570420121993,0.6382101980673017,0.7430907751353574
EOS-2-07223,Cn1nc(-c2ccc(C#N)cc2)nc1Oc1cncc2nnc(-c3ccc(Cl)cc3F)n12,ADQPMTDYJXQNHS-UHFFFAOYSA-N,2,1,0.483,34,252,446.833,4.043,5,0.41,0.64,1.0,0.5873912000548284,0.7694897539579193,0.6568689603180042,0.718019669659379,0.6829423959975328
EOS-2-07224,N#Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)cn1,IRNWUIWMWTUGLO-UHFFFAOYSA-N,2,1,0.517,4,10,446.833,3.615,5,0.406,0.6,1.0,0.5514186827496402,0.7523387704749503,0.8272479610718936,0.8233157425810431,0.7385802892193818
EOS-2-07225,N#Cc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c(F)c1,MPPZHDYWOQRIAO-UHFFFAOYSA-N,2,1,0.571,34,612,446.833,3.615,5,0.406,0.75,1.0,0.6563720786786376,0.822621821670893,0.7414159413336988,0.8087091357686245,0.7572797443629635
EOS-2-07226,N#Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)nn1,GXOOCNOJOJATOC-UHFFFAOYSA-N,2,1,0.529,43,612,446.833,3.615,5,0.406,0.74,1.0,0.4927352477554657,0.7606658213967514,0.8084778287985744,0.8334075800150778,0.7238216194914673
EOS-2-07227,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-n5cc(F)cn5)cn4)n23)ccc1Cl,FTCKLXJAVOIZOR-UHFFFAOYSA-N,2,1,0.547,4,677,446.833,3.615,5,0.406,0.63,0.999,0.4702727708861627,0.7110461928586115,0.8292868891782605,0.8293211568775273,0.7099817524501405
EOS-2-07228,C#Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cnco5)cc4F)n23)ccc1Cl,CVTBDHIAVLIEKU-UHFFFAOYSA-N,2,1,0.536,97,214,446.829,4.194,5,0.374,0.62,1.0,0.894960934822836,0.8687461448838325,0.8934274552806525,0.8788379823178671,0.883993129326297
EOS-2-07229,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)nc4)n23)c(Cl)c1,NVWJZCXWDBVLGR-UHFFFAOYSA-N,2,1,0.405,96,533,446.829,5.221,5,0.277,0.81,1.0,0.22129223493934616,0.3113306147625248,0.8407837022822288,0.7980604482215065,0.5428667500514016
EOS-2-07230,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)s5)n4)n23)c(F)c1,CZBYSKDLFCSSKV-UHFFFAOYSA-N,2,1,0.506,73,446,446.826,4.413,5,0.395,0.78,1.0,0.7387173600164485,0.8226303885957097,0.5682269892399424,0.6933126584881091,0.7057218490850524
EOS-2-07231,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nc2C#N)o1,LZHNEOLPBJOJSA-UHFFFAOYSA-N,2,1,0.371,7,587,446.818,2.439,5,0.39,0.67,0.873,0.47294565142896305,0.510288876704818,0.11300630525666507,0.12576245630868343,0.3055008224247824
EOS-2-07232,Cn1nc(-c2nnn(C(F)F)n2)cc1-c1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,ODXVMJZONXPJTI-UHFFFAOYSA-N,2,1,0.355,22,649,446.784,3.033,5,0.418,0.68,0.999,0.3128812281543417,0.4742392570762799,0.38235898841751764,0.5057741073264341,0.41881339524364336
EOS-2-07233,Cn1nc(-c2nnco2)cc1-c1cncc2nnc(-c3ccc(C(F)(F)F)c(Cl)c3)n12,GLAHISPLHVHENJ-UHFFFAOYSA-N,2,1,0.329,22,542,446.78,3.914,5,0.414,0.65,0.999,0.27510965663765335,0.4522822287711603,0.9183914741964224,0.884492152696868,0.632568878075526
EOS-2-07234,FC(F)Oc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,UJIKIKVFBHZQLV-UHFFFAOYSA-N,2,1,0.528,90,305,453.236,4.111,4,0.416,0.66,1.0,0.8839781372078679,0.9342145843328079,0.8655678157768487,0.892716400520869,0.8941192344595984
EOS-2-07235,Fc1ccc(-c2nnc3cncc(-c4ccn(-c5ccc(Br)c(F)c5)n4)n23)cc1,WQRNVOMDYRUUMD-UHFFFAOYSA-N,2,1,0.429,45,730,453.25,4.685,5,0.398,0.76,1.0,0.11088170790213145,0.4699129600438627,0.9174662463162223,0.9406911794942088,0.6097380234391063
EOS-2-07237,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)cc1,MKDFMKCFKUYABV-UHFFFAOYSA-N,2,1,0.685,48,240,453.251,5.738,4,0.387,0.81,1.0,0.9948769789596327,0.9967360016448495,0.9981581111644164,0.9987492289767665,0.9971300801864162
EOS-2-07238,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nn4)n23)n1,ZNCXOJUCHUTXIU-UHFFFAOYSA-N,2,1,0.385,7,94,453.253,2.714,5,0.366,0.66,0.697,0.5258121444726201,0.5752947022136934,0.21712014255362894,0.3004077856212734,0.404658693715304
EOS-2-07239,Clc1cncc(-c2cncc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)n2)n1,VNLWQUPEVDXOPI-UHFFFAOYSA-N,2,1,0.411,7,434,453.253,2.714,5,0.366,0.64,1.0,0.5437255842642725,0.6573058734836543,0.21712870947844562,0.30041635254609006,0.4296441299431156
EOS-2-07240,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nn5)nc4)n23)n1,XSZZHAKVMXJDBC-UHFFFAOYSA-N,2,1,0.394,51,283,453.253,2.714,5,0.366,0.68,1.0,0.6243403467891165,0.7016482763347269,0.17001062298677266,0.24649612774998286,0.4356238434651497
EOS-2-07241,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)c2)nc1,DNAIMQWFNYVURY-UHFFFAOYSA-N,2,1,0.416,13,692,453.264,5.487,5,0.358,0.71,1.0,0.7300561990267973,0.7341940237132479,0.9156329244054554,0.9470649715578096,0.8317370296758275
EOS-2-07242,Fc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)c1,SUSNDIXMVQUQNH-UHFFFAOYSA-N,2,1,0.416,34,236,453.264,5.487,5,0.358,0.8,0.999,0.7684959906791858,0.8369971215132616,0.9257761633883901,0.9581420053457611,0.8723528202316496
EOS-2-07243,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)nn3)n12,VTLSOAMTOXOEJU-UHFFFAOYSA-N,2,1,0.446,34,145,453.264,5.487,5,0.358,0.83,0.999,0.7656175039407854,0.847457336714413,0.9098845178534714,0.952367898019327,0.8688318141319993
EOS-2-07244,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5Cl)cn4)n23)c(Cl)c1,NCMKKJAXAHHIPX-UHFFFAOYSA-N,2,1,0.396,13,145,453.264,5.487,5,0.335,0.71,1.0,0.7387259269412652,0.7908984990747722,0.9257847303132067,0.9511171269960935,0.8516315708313345
EOS-2-07245,Fc1c(-c2nnc3cncc(Oc4ccc(-c5cccnc5)nc4)n23)ccc(Cl)c1Cl,XAERNNMACUDVML-UHFFFAOYSA-N,2,1,0.427,13,284,453.264,5.487,5,0.335,0.7,1.0,0.8079209786854911,0.932715372489891,0.9380011651017751,0.9511256939209102,0.9074408025495169
EOS-2-07246,Fc1ccccc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)cc(Cl)c4)n23)nn1,IMJMEYHPRATRKB-UHFFFAOYSA-N,2,1,0.458,19,616,453.264,5.487,5,0.358,0.76,1.0,0.7418871221986156,0.8370056884380783,0.8946696593790693,0.9484356795284764,0.85549953738606
EOS-2-07247,Fc1ccc(Oc2cncc3nnc(-c4ncccc4-c4ccc(Cl)nc4)n23)cc1Cl,AHHCCMHIAHKWET-UHFFFAOYSA-N,2,1,0.5,13,573,453.264,5.487,5,0.335,0.7,1.0,0.7856555410869714,0.8226389555205263,0.9156414913302721,0.9477931601672264,0.867932287026249
EOS-2-07248,Fc1cc(Oc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)ccc1Cl,YPVQQBVKTBGOMK-UHFFFAOYSA-N,2,1,0.59,13,995,453.264,5.487,5,0.335,0.76,1.0,0.8208741690082928,0.8474659036392297,0.9539699129600439,0.9687135905695292,0.8977558940442738
EOS-2-07249,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccnc(-c4ccc(Cl)nc4)c3)n12,HSWZLUKMQFBSPV-UHFFFAOYSA-N,2,1,0.488,13,284,453.264,5.487,5,0.335,0.75,1.0,0.7387344938660818,0.8849633335617847,0.937358645740525,0.954972243163594,0.8790071790829963
EOS-2-07250,Fc1cc(-c2ccc(Cl)nn2)ccc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,RIXDOELPRIAYMU-UHFFFAOYSA-N,2,1,0.512,57,145,453.264,5.487,5,0.358,0.86,1.0,0.8949695017476527,0.9724402028647796,0.9300510588719073,0.9543125899527106,0.9379433383592626
EOS-2-07251,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,MANGCJCCKNHOBZ-UHFFFAOYSA-N,2,1,0.407,13,110,453.264,5.487,5,0.335,0.8,1.0,0.6689997258584058,0.7606743883215681,0.9339575765883079,0.9549808100884106,0.829653125214173
EOS-2-07252,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccnc(Cl)c4)cn3)n12,PYCQFOZJEFFPQE-UHFFFAOYSA-N,2,1,0.411,13,110,453.264,5.487,5,0.335,0.81,1.0,0.747961071893633,0.8337159893084778,0.9339661435131246,0.9549893770132273,0.8676581454321157
EOS-2-07253,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cncc(-c4ccc(Cl)cn4)c3)n12,YWPXQKRTBUUHRK-UHFFFAOYSA-N,2,1,0.447,13,995,453.264,5.487,5,0.358,0.67,1.0,0.7418956891234323,0.8032520046604071,0.934677198272908,0.9563600849838941,0.8590462442601604
EOS-2-07254,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cnccc3-c3ccc(Cl)nc3)n12,ZLUVVLRPURWTNX-UHFFFAOYSA-N,2,1,0.465,13,145,453.264,5.487,5,0.335,0.73,1.0,0.6961740113768762,0.837014255362895,0.9408282502912755,0.9600438626550614,0.858515094921527
EOS-2-07255,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)cnn3)n12,ZZQQYQUVDBUNOC-UHFFFAOYSA-N,2,1,0.43,13,145,453.264,5.487,5,0.358,0.73,1.0,0.6597303132067713,0.778005277225687,0.9323641285724077,0.9647128366801453,0.8337031389212528
EOS-2-07256,Fc1ncc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cn2)cc1Cl,MAXJCNZGOJFOLW-UHFFFAOYSA-N,2,1,0.568,13,284,453.264,5.487,5,0.335,0.77,0.973,0.7656260708656021,0.8903090946473854,0.9266928243437735,0.9511342608457268,0.883440562675622
EOS-2-07257,Fc1nc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)ccc1-c1cccnc1,YMWPIDAUQMDSGV-UHFFFAOYSA-N,2,1,0.512,13,573,453.264,5.487,5,0.335,0.74,1.0,0.8722243163593997,0.8474744705640463,0.9257932972380234,0.9511428277705435,0.8991587279830033
EOS-2-07258,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccnc(-c4cncc(Cl)c4)c3)n12,QNHULSQHSZBPSF-UHFFFAOYSA-N,2,1,0.477,13,110,453.264,5.487,5,0.358,0.7,1.0,0.7911726406689055,0.8370228222877116,0.9359879377698581,0.9576194229319444,0.8804507059146048
EOS-2-07259,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)cc1Cl,VEQULWNKHPBKML-UHFFFAOYSA-N,2,1,0.524,13,236,453.264,5.487,5,0.358,0.72,1.0,0.7176170241929957,0.822647522445343,0.9394232746213419,0.9692104722088959,0.8622245733671441
EOS-2-07260,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,RTLLMTJPGBEBRY-UHFFFAOYSA-N,2,1,0.512,57,145,453.264,5.487,5,0.358,0.81,1.0,0.8384877664313618,0.9280206976903571,0.9274124460283737,0.9498834898224933,0.9109510999931465
EOS-2-07261,Clc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncno5)cc4)n23)c1,CJCDLKQIQMQONF-UHFFFAOYSA-N,2,1,0.593,91,70,453.289,4.77,5,0.366,0.75,1.0,0.8677266808306491,0.8931276129120691,0.8024381468028237,0.8431653073812624,0.8516144369817011
EOS-2-07262,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)c(Cl)c4)n23)n1,VLRNDCAGTWTGJU-UHFFFAOYSA-N,2,1,0.533,11,275,453.289,4.77,5,0.342,0.68,1.0,0.8802429579878007,0.840569529161812,0.6596446439586047,0.7258412720169968,0.7765746007813036
EOS-2-07263,Clc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ncco4)cn3)n12,ZKZOQDIMIMNPBN-UHFFFAOYSA-N,2,1,0.518,84,749,453.289,4.77,5,0.366,0.75,1.0,0.730064765951614,0.6816188061133576,0.6839233088890412,0.7574446576656844,0.7132628846549243
EOS-2-07264,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccc5Cl)n34)c2)o1,HRBKRACALSEDCP-UHFFFAOYSA-N,2,1,0.429,59,160,453.289,5.036,5,0.368,0.7,1.0,0.6387841820300185,0.6046021520115139,0.7936656157905558,0.8132324720718251,0.7125711054759782
EOS-2-07265,Cc1nnc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)o1,SSEVLTHJKGAYLO-UHFFFAOYSA-N,2,1,0.615,43,372,453.289,5.036,5,0.368,0.76,1.0,0.9137653347954219,0.9474761839490097,0.7673908573778356,0.8214053183469262,0.8625094236172983
EOS-2-07266,COc1cc(-c2nc(C)no2)c(Cl)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,XCPHGMGPVNAQQZ-UHFFFAOYSA-N,2,1,0.395,96,46,453.289,5.132,5,0.373,0.75,1.0,0.6272445343019669,0.6866561579055582,0.7286255225824139,0.7626447810294017,0.7012927489548353
EOS-2-07267,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)cc(Cl)n1,XAGSCHVHCFTOAH-UHFFFAOYSA-N,2,1,0.603,11,201,453.289,4.77,5,0.342,0.72,1.0,0.9331865533548077,0.8770474950311836,0.7233911315194298,0.7472071825097663,0.8202080906037968
EOS-2-07268,Cc1nc(-c2cncc(Cl)c2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)o1,MHFFEXZYHSEFFM-UHFFFAOYSA-N,2,1,0.6,97,232,453.289,5.036,5,0.368,0.68,1.0,0.9502433006647933,0.9206445754232061,0.6423651566033857,0.7258498389418134,0.8097757179082997
EOS-2-07269,COc1cc(Cl)ccc1-c1nnc2cncc(-c3cnc(-c4cn(C)nn4)cc3Cl)n12,LUYIZCMRETUQQD-UHFFFAOYSA-N,2,1,0.36,22,985,453.293,3.964,5,0.406,0.74,1.0,0.17972551572887396,0.3837810979370845,0.5842557055719279,0.6469398944554863,0.44867555342334314
EOS-2-07270,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2Cl)n1,JZQUZCDCCMFPNN-UHFFFAOYSA-N,2,1,0.506,36,208,453.293,3.868,5,0.399,0.54,1.0,0.5151377561510521,0.652696867932287,0.5613734493866082,0.6207251045164828,0.5874832944966075
EOS-2-07271,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(Cl)c4)n23)c1,DNEVJQWKFJQVCC-UHFFFAOYSA-N,2,1,0.545,47,164,453.293,3.9,5,0.416,0.57,1.0,0.8635374545952985,0.8567781509149476,0.612389486669865,0.7015283393872935,0.7585583578918512
EOS-2-07272,Clc1cc(CCOc2cncc3nnc(-c4cccc(-c5c[nH]nn5)c4)n23)c(Cl)cn1,VPJRBDLUUBPNPH-UHFFFAOYSA-N,2,1,0.516,37,438,453.293,3.9,5,0.389,0.55,1.0,0.7208724556233295,0.7388715646631485,0.6596532108834213,0.7284113494619971,0.7119521451579741
EOS-2-07273,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccc5Cl)n34)ncn2)cn1,XDFOTWZKGSDXNX-UHFFFAOYSA-N,2,1,0.429,46,488,453.293,3.868,5,0.399,0.73,0.902,0.40338222191762046,0.4256476595161401,0.6760417380577068,0.7231683914741964,0.557060002741416
EOS-2-07274,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)cc(Cl)n5)n34)cn2)cn1,BQUBYZHRUZUFBJ-UHFFFAOYSA-N,2,1,0.472,55,468,453.293,3.868,5,0.373,0.7,1.0,0.3561956000274142,0.5150178192036187,0.5938249605921458,0.6234750873826331,0.5221283668014529
EOS-2-07275,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c2)n1,NTRYTHFHJOUWOE-UHFFFAOYSA-N,2,1,0.561,43,258,453.293,3.868,5,0.399,0.7,1.0,0.5903296552669454,0.8226560893701597,0.5448649852648894,0.6581968336645878,0.6540118908916456
EOS-2-07276,ClCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,GXFJNRVXHOZCPQ-UHFFFAOYSA-N,2,1,0.429,2,36,453.293,3.874,5,0.285,0.63,1.0,0.34711465972174627,0.45229079569597697,0.6423737235282023,0.6611267219518882,0.5257264752244535
EOS-2-07277,Cc1c(Cl)ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cn4)n23)c1Cl,ZJHKREXQWBVXCK-UHFFFAOYSA-N,2,1,0.506,4,10,453.293,3.961,5,0.398,0.73,0.999,0.30238674525392367,0.4971986155849496,0.659661777808238,0.6933212254129257,0.5381420910150092
EOS-2-07278,Cn1cnnc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,JDBRCLIFLTYAAU-UHFFFAOYSA-N,2,1,0.536,36,10,453.293,3.868,5,0.399,0.68,1.0,0.510288876704818,0.7606829552463847,0.5381570831334385,0.632299019943801,0.6103569837571106
EOS-2-07279,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(Cl)cn5)n34)cn2)c1,SCYMUEOMCFSTJK-UHFFFAOYSA-N,2,1,0.477,55,823,453.293,3.868,5,0.399,0.67,1.0,0.590338222191762,0.6475995476663697,0.6033770817627304,0.6291292577616339,0.617611027345624
EOS-2-07280,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ccc5Cl)n34)cn2)c1,ADEADVSYWGIFIH-UHFFFAOYSA-N,2,1,0.429,55,823,453.293,3.868,5,0.373,0.71,1.0,0.5962665341648962,0.6866647248303749,0.5107086560208347,0.5653570694263587,0.5897492461106161
EOS-2-07281,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)n1,ISOGVYMTTJYNMQ-UHFFFAOYSA-N,2,1,0.494,55,980,453.293,3.868,5,0.399,0.62,1.0,0.4828061818929477,0.47424782400109655,0.597071825097663,0.6412086217531355,0.5488336131862107
EOS-2-07282,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nn1,ZBRNOECQYCJHLN-UHFFFAOYSA-N,2,1,0.523,4,391,453.293,3.868,5,0.399,0.67,1.0,0.5787214721403605,0.729396545815914,0.4795507504626139,0.5749862929202934,0.5906637653347955
EOS-2-07283,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)cn1,INPFNSOUDIHVEH-UHFFFAOYSA-N,2,1,0.517,73,399,453.293,3.868,5,0.399,0.74,1.0,0.45163114248509356,0.6964909875950929,0.5938335275169625,0.6611352888767048,0.6007727366184634
EOS-2-07284,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)nc(Cl)c5)n34)c2)cn1,ABAZGGXYOPCZHR-UHFFFAOYSA-N,2,1,0.409,46,565,453.293,3.868,5,0.373,0.68,1.0,0.4235915975601398,0.3743146460146666,0.6537248989102872,0.6611438558015215,0.5281937495716538
EOS-2-07285,Cn1nncc1-c1ccnc(-c2nnc3cncc(OCc4cc(Cl)ccc4Cl)n23)c1,XSITVCMYZYROOZ-UHFFFAOYSA-N,2,1,0.444,46,79,453.293,3.868,5,0.399,0.68,1.0,0.36540504420533204,0.402799671030087,0.632941539305051,0.7154067575902954,0.5291382530326914
EOS-2-07286,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ccc5Cl)n34)cn2)cn1,NOPYTOVDCWJNOO-UHFFFAOYSA-N,2,1,0.429,55,468,453.293,3.868,5,0.373,0.69,1.0,0.4285175793297238,0.5806233294496608,0.5648516208621753,0.6055273798917141,0.5448799773833185
EOS-2-07287,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n(-c2cccc(Cl)n2)n1,HLNWCLKLZNZRSH-UHFFFAOYSA-N,2,1,0.548,34,32,453.293,3.961,5,0.372,0.75,1.0,0.5758772531012268,0.7435234048385991,0.22792303474744705,0.4082396682886711,0.48889084024398605
EOS-2-07288,Cn1cc(Cl)c(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)n1,GYSNIIXCLGEOHY-UHFFFAOYSA-N,2,1,0.411,46,62,453.293,3.868,5,0.399,0.65,1.0,0.437435748063875,0.3884415050373518,0.5381656500582551,0.6119097388801316,0.49398816050990335
EOS-2-07289,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2Cl)n1,QFAFJGYCOUNQJA-UHFFFAOYSA-N,2,1,0.476,51,196,453.293,3.868,5,0.399,0.56,1.0,0.587399766979645,0.6095195668562813,0.5144181344664519,0.5780703858542937,0.572351963539168
EOS-2-07290,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1Cl,LLNLFCISXRZLAC-UHFFFAOYSA-N,2,1,0.573,4,610,453.293,3.868,5,0.399,0.66,1.0,0.4516397094099102,0.6233808512096498,0.5347474470564046,0.6207336714412994,0.557625419779316
EOS-2-07291,Cn1nc(-c2cccc(Cl)n2)cc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,IYSTWUADJHWQAH-UHFFFAOYSA-N,2,1,0.424,4,390,453.293,3.868,5,0.373,0.6,1.0,0.44425502021794255,0.6233894181344665,0.4444948941128093,0.5292646151737372,0.5103509869097389
EOS-2-07292,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1,NEDCZDHCLZHYGD-UHFFFAOYSA-N,2,1,0.6,43,402,453.293,3.868,5,0.399,0.78,1.0,0.6504351997806868,0.859990747721198,0.564860187786992,0.6902799671030087,0.6913915255979713
EOS-2-07293,Cn1cnnc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c1,KIVGTWKMPIOLOR-UHFFFAOYSA-N,2,1,0.542,16,772,453.293,3.868,5,0.373,0.75,1.0,0.6272531012267837,0.769498320882736,0.5938420944417792,0.6640480433143718,0.6636603899664176
EOS-2-07294,Cn1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)n1,DSAZCNAHOWNISQ-UHFFFAOYSA-N,2,1,0.554,4,10,453.293,3.868,5,0.399,0.69,1.0,0.5078216023576178,0.7342025906380646,0.5938506613665958,0.6498954835172367,0.6214425844698788
EOS-2-07295,Cn1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1ccc(Cl)nc1,CSTCMQYYLJFPGN-UHFFFAOYSA-N,2,1,0.427,95,694,453.293,3.868,5,0.373,0.71,1.0,0.39705126447810296,0.42565622644095674,0.57489205674731,0.6353060105544514,0.5082263895552053
EOS-2-07296,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)ccn1,KOUJEDBYBKGJIS-UHFFFAOYSA-N,2,1,0.44,13,252,453.293,4.564,5,0.385,0.65,1.0,0.5052686587622507,0.7294051127407306,0.4479987663628264,0.5873826331300116,0.5675137927489549
EOS-2-07297,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(Cl)cn2)nn1,UQJZHFAEKLHWKQ-UHFFFAOYSA-N,2,1,0.6,16,134,453.293,3.868,5,0.399,0.75,1.0,0.6387927489548352,0.7989514084024398,0.6004043588513467,0.6960026728805428,0.6835377972722911
EOS-2-07298,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c(Cl)c2)cn1,VZYRVMXUVSERKJ-UHFFFAOYSA-N,2,1,0.449,16,815,453.293,3.868,5,0.399,0.75,1.0,0.47028133781097936,0.6095281337810979,0.6214532931258995,0.6668922623535056,0.5920387567678707
EOS-2-07299,Cn1cc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nn1,TZMBIEBCXMSBLS-UHFFFAOYSA-N,2,1,0.418,46,915,453.293,3.868,5,0.399,0.75,1.0,0.4214155986567062,0.5150263861284353,0.6155249811527654,0.6960112398053595,0.5619945514358167
EOS-2-07300,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)nn1,BKRJQXHSIXYVHI-UHFFFAOYSA-N,2,1,0.548,4,10,453.293,3.868,5,0.399,0.69,1.0,0.4143650195325886,0.667037900075389,0.5938592282914125,0.6640566102391885,0.5848296895346446
EOS-2-07301,Cn1c(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cnc1Cl,WQTJOVUQLJLRGB-UHFFFAOYSA-N,2,1,0.391,46,565,453.293,3.868,5,0.373,0.63,1.0,0.49021657185936535,0.4522993626207936,0.5938677952162292,0.6234836543074498,0.5399668460009595
EOS-2-07302,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4nc(Cl)ccc4Cl)n23)ccn1,NYSGMAXCIOSYFS-UHFFFAOYSA-N,2,1,0.462,75,420,453.293,3.868,5,0.373,0.72,1.0,0.470289904735796,0.542372010143239,0.4408111164416421,0.5089353025837845,0.49060208347611545
EOS-2-07303,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)cn1,NWCQWHRIXSDELW-UHFFFAOYSA-N,2,1,0.537,51,969,453.293,3.868,5,0.399,0.77,1.0,0.5002998423685834,0.7388801315879652,0.6004129257761633,0.6553783153999041,0.623742803783154
EOS-2-07304,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2Cl)n1,OSJKSFBZIIHWSU-UHFFFAOYSA-N,2,1,0.524,16,772,453.293,3.868,5,0.399,0.59,1.0,0.5990079501062299,0.642305188129669,0.5842642724967446,0.6499040504420533,0.6188703652936742
EOS-2-07305,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1-c1cncc(Cl)c1,HSZPKVJODPDGCB-UHFFFAOYSA-N,2,1,0.435,95,694,453.293,3.868,5,0.373,0.73,0.998,0.4054211500239874,0.3695428688917826,0.5581180179562745,0.635314577479268,0.4920991535878282
EOS-2-07306,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1cncc(Cl)c1,RKAKJSOZJNCRCX-UHFFFAOYSA-N,2,1,0.427,95,62,453.293,3.868,5,0.399,0.71,0.999,0.41437358645740524,0.3790692892879172,0.5516499897196903,0.6469484613803029,0.4980103317113289
EOS-2-07307,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1ccc(Cl)cc1,KBWGMYPCEYKYLY-UHFFFAOYSA-N,2,1,0.449,95,965,453.293,3.868,5,0.399,0.73,0.999,0.40127475841272015,0.4972071825097663,0.44450346103762595,0.5718250976629429,0.4787026249057638
EOS-2-07308,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(Cl)c1,ZAHMRJUFHNQMSQ-UHFFFAOYSA-N,2,1,0.5,16,79,453.293,3.868,5,0.399,0.65,1.0,0.4853334247138647,0.547246590363923,0.6511291206908368,0.7206754163525461,0.6010961380302927
EOS-2-07309,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4Cl)n23)nn1,ZVFDEVDLJBJOTO-UHFFFAOYSA-N,2,1,0.478,37,482,453.293,3.9,5,0.416,0.66,1.0,0.7357960386539648,0.8567867178397642,0.5613820163114248,0.6756990610650401,0.7074159584675485
EOS-2-07310,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)c1,FVKLMICYBMZVQO-UHFFFAOYSA-N,2,1,0.4,46,980,453.293,3.868,5,0.399,0.67,1.0,0.4729542183537797,0.4028082379549037,0.6360427660886848,0.6817730107600576,0.5483945582893565
EOS-2-07311,Cn1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1-c1ccc(Cl)cc1,UHRCCONFBINWBS-UHFFFAOYSA-N,2,1,0.433,95,965,453.293,3.868,5,0.373,0.72,1.0,0.3905489685422521,0.4742563909259132,0.4008207113974368,0.5292731820985539,0.44872481324103897
EOS-2-07312,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c1,DSXATXCVRPDKKU-UHFFFAOYSA-N,2,1,0.608,43,402,453.293,3.868,5,0.399,0.8,1.0,0.7144472620108286,0.8567952847645809,0.587399766979645,0.7015369063121102,0.7150448050167912
EOS-2-07313,Cn1nc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,KRRQBMYHMXPOSF-UHFFFAOYSA-N,2,1,0.524,73,446,453.293,3.868,5,0.399,0.8,1.0,0.4605835789185114,0.7110547597834281,0.2969638818449729,0.46515831677061203,0.48344013432938115
EOS-2-07314,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)c2)cn1,XJOKLJWCHPHICW-UHFFFAOYSA-N,2,1,0.464,2,36,453.293,3.868,5,0.399,0.7,1.0,0.4678311973134124,0.4653981906654787,0.7128795147693784,0.7420413268453157,0.5970375573983963
EOS-2-07315,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccnc(Cl)c1,RPTJLEIEDHRATR-UHFFFAOYSA-N,2,1,0.409,95,694,453.293,3.868,5,0.373,0.72,0.982,0.3746573230073333,0.36453978479884863,0.5613905832362415,0.6412171886779522,0.4854512199300939
EOS-2-07316,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1Cl,SXMYOLKGGPXMRD-UHFFFAOYSA-N,2,1,0.506,4,208,453.293,3.868,5,0.399,0.67,1.0,0.5177421012953191,0.5859433897608115,0.6067181824412309,0.6582054005894045,0.5921522685216914
EOS-2-07317,Cn1nc(-c2nnc3cncc(OCc4ncccn4)n23)cc1-c1ccc(Cl)cc1Cl,XQXARWUXISCORF-UHFFFAOYSA-N,2,1,0.427,95,965,453.293,3.868,5,0.399,0.75,1.0,0.3585772051264478,0.4392605030498252,0.4333835926255911,0.5522325406072236,0.445863460352272
EOS-2-07318,Cn1c(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)cnc1Cl,BUUQVTCZFXBBSU-UHFFFAOYSA-N,2,1,0.471,75,565,453.293,3.868,5,0.373,0.62,1.0,0.5732215064080598,0.5859519566856282,0.5809574395175108,0.614942430265232,0.5887683332191076
EOS-2-07319,Clc1ccc(-c2nnc3cncc(OCCc4cn(-c5ncccc5Cl)nn4)n23)cc1,ZKUMOFYAUYVCDT-UHFFFAOYSA-N,2,1,0.578,37,32,453.293,3.695,5,0.387,0.67,1.0,0.5732300733328765,0.7435319717634158,0.2896819957508053,0.5057826742512508,0.5280566787745871
EOS-2-07320,Cn1nc(-c2nnc3cncc(OCc4cnccn4)n23)cc1-c1ccc(Cl)cc1Cl,PEIKAVGZYJFSHL-UHFFFAOYSA-N,2,1,0.449,95,965,453.293,3.868,5,0.399,0.71,1.0,0.2997824001096566,0.42129566170927285,0.5144267013912686,0.6176838462065657,0.4632971523541909
EOS-2-07321,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(Cl)c4)n23)cc1,RAMWROLRMZPEBX-UHFFFAOYSA-N,2,1,0.557,36,734,453.293,3.868,5,0.373,0.7,1.0,0.7627732849016517,0.614377013227332,0.6033856486875471,0.6469570283051196,0.6568732437804126
EOS-2-07322,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccc(Cl)nc1,ALYGELAVKPIRMH-UHFFFAOYSA-N,2,1,0.429,95,694,453.293,3.868,5,0.373,0.72,0.998,0.3991330272085532,0.40732300733328763,0.5581265848810911,0.6382187649921184,0.5007003461037626
EOS-2-07323,Cn1cc(-c2cc(Cl)nc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,LDYDSHRTETZNAX-UHFFFAOYSA-N,2,1,0.391,46,565,453.293,3.868,5,0.373,0.69,1.0,0.4143821533822219,0.41689226235350557,0.6568775272428209,0.6757076279898567,0.5409648927421012
EOS-2-07324,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(Cl)c2)cn1,HWXCNWQDZLVKBG-UHFFFAOYSA-N,2,1,0.459,51,196,453.293,3.868,5,0.399,0.78,1.0,0.5078301692824344,0.6143855801521486,0.5682355561647591,0.6263107394969502,0.5791905112740731
EOS-2-07325,Cn1nc(-c2cnc(Cl)nc2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,JRQPKTUSOLVKSP-UHFFFAOYSA-N,2,1,0.556,4,32,453.293,3.868,5,0.373,0.71,1.0,0.6902028647796586,0.8226646562949763,0.5312607086560208,0.5936193543965458,0.6594368960318003
EOS-2-07326,Cn1nc(-c2ncc(Cl)cn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,WJBCMSNXYZIONK-UHFFFAOYSA-N,2,1,0.556,73,32,453.293,3.868,5,0.399,0.68,1.0,0.6103591254883147,0.7909070659995888,0.3788551161675005,0.5057912411760674,0.5714781372078679
EOS-2-07327,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1Cl,RNADVCGGMMSTID-UHFFFAOYSA-N,2,1,0.524,16,610,453.293,3.868,5,0.399,0.62,1.0,0.5903467891165787,0.6191573572750325,0.5874083339044617,0.6640651771640053,0.6152444143650195
EOS-2-07328,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cc1-c1cccc(Cl)c1,MTPYAJFBEOFELS-UHFFFAOYSA-N,2,1,0.426,95,965,453.293,3.868,5,0.399,0.74,1.0,0.30744123089575764,0.37432321293948323,0.4333921595504078,0.5653656363511754,0.420130559934206
EOS-2-07329,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4c(Cl)cccc4Cl)n23)cc1,JJKTZOWCGJMLBI-UHFFFAOYSA-N,2,1,0.595,43,402,453.293,3.868,5,0.399,0.8,1.0,0.6356315536974847,0.7435405386882324,0.5180933452128024,0.6611524227263381,0.6396044650812145
EOS-2-07330,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ccc(Cl)nc1,GGNBBOCSQMAMLT-UHFFFAOYSA-N,2,1,0.462,95,694,453.293,3.868,5,0.373,0.67,1.0,0.29979096703447333,0.412214721403605,0.5073504214927009,0.5936279213213624,0.4532460078130354
EOS-2-07331,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4Cl)n23)ncn1,YOCXDPIGTDJJJD-UHFFFAOYSA-N,2,1,0.422,46,488,453.293,3.868,5,0.399,0.64,0.789,0.48774073058734835,0.434985607566308,0.5414210814885888,0.6323075868686177,0.5241137516277157
EOS-2-07332,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ccc(Cl)cc1,DQXYEGKQCVXBAJ-UHFFFAOYSA-N,2,1,0.459,95,965,453.293,3.868,5,0.399,0.71,0.999,0.4143907203070386,0.4392690699746419,0.397205469124803,0.5292817490233706,0.4450367521074635
EOS-2-07333,Cn1c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nnc1-c1ccc(Cl)nc1,OQGWOTVUGQNWCI-UHFFFAOYSA-N,2,1,0.582,36,32,453.293,3.868,5,0.373,0.74,1.0,0.6444212185593859,0.822673223219793,0.3189551778493592,0.5125762456308683,0.5746564663148516
EOS-2-07334,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,CGTGHEVRDMPGCL-UHFFFAOYSA-N,2,1,0.529,34,820,453.293,3.868,5,0.399,0.63,1.0,0.48534199163868136,0.7388886985127818,0.48300322116373107,0.5964807072853129,0.5759286546501268
EOS-2-07335,Brc1ccc(-c2nnc3cncc(-c4cncnc4OC4CCCCO4)n23)cc1,OFTRBEKNGGRRKD-UHFFFAOYSA-N,2,1,0.375,78,437,453.3,3.916,5,0.463,0.69,1.0,0.4348742375436913,0.4169008292783222,0.13597423069015147,0.30353471317935715,0.32282100267288055
EOS-2-07336,OCc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c(Br)c1,BQFKRSWNYQOYPO-UHFFFAOYSA-N,2,1,0.564,90,555,446.692,3.674,4,0.471,0.68,1.0,0.8103796861078747,0.7909156329244055,0.8552018367486807,0.843173874306079,0.8249177575217599
EOS-2-07337,CCn1cc(-c2ccc(Cl)c(F)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,MHDNCNXSRLMFFP-UHFFFAOYSA-N,2,1,0.411,45,102,453.308,5.788,5,0.346,0.74,1.0,0.3537797272291138,0.6233979850592831,0.8640943047083819,0.9303252004660407,0.6928993043657048
EOS-2-07338,Cc1nc(-c2ccc(Cl)cc2)c(-c2nnc3cncc(-c4ccc(F)c(Cl)c4)n23)n1C,SWPFMRBDNVYXTA-UHFFFAOYSA-N,2,1,0.342,45,102,453.308,5.613,5,0.356,0.79,1.0,0.2241621547529299,0.4073315742581043,0.8106880954012747,0.9087793845521211,0.5877403022411075
EOS-2-07339,CCc1c(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cnn1-c1ccc(Cl)cc1,YNDCUAGMSZGJBX-UHFFFAOYSA-N,2,1,0.42,45,102,453.308,5.652,5,0.353,0.62,1.0,0.15229422246590363,0.43499417449112465,0.8711791515317662,0.9336748680693578,0.598035604139538
EOS-2-07340,Clc1cccc(COc2cc(Cl)ccc2-c2nnc3cncc(-c4ccsc4)n23)c1,IPDPNSHWFYUULJ-UHFFFAOYSA-N,2,1,0.4,96,46,453.354,6.406,5,0.309,0.82,1.0,0.4605921458433281,0.6143941470769653,0.9435011308340758,0.9662377492975122,0.7461812932629703
EOS-2-07341,Fc1nccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2F)n1,DDWSWRGJKHXLMM-UHFFFAOYSA-N,2,1,0.523,73,469,453.359,3.779,5,0.296,0.63,1.0,0.8656449181001987,0.8770560619560003,0.917474813241039,0.9007693098485368,0.8902362757864437
EOS-2-07342,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)n5)c4)n23)c(F)c1,FDBKQJAGDCBAMG-UHFFFAOYSA-N,2,1,0.441,2,526,453.359,3.779,5,0.296,0.59,0.999,0.7208810225481461,0.7695068878075526,0.8910115824823521,0.8831214447262011,0.816130234391063
EOS-2-07343,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5F)n34)cc2F)cn1,LPDOKAMFQXPDIC-UHFFFAOYSA-N,2,1,0.5,73,716,453.359,3.779,5,0.227,0.59,1.0,0.9394318415461586,0.9206531423480228,0.9422417928860256,0.9220324172435063,0.9310897985059283
EOS-2-07344,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)n2)nc1,NGMIDYODUFLDBP-UHFFFAOYSA-N,2,1,0.424,73,877,453.359,3.779,5,0.296,0.62,1.0,0.741904256048249,0.8506785004454801,0.8910201494071688,0.8873106709615517,0.8427283942156123
EOS-2-07345,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5c(F)ccc(F)c5F)n34)c2)nn1,SDHCIDURZUXAPG-UHFFFAOYSA-N,2,1,0.542,34,607,453.359,3.779,5,0.296,0.61,1.0,0.9077170858748543,0.9110067850044548,0.8817850044548009,0.8788465492426838,0.8948388561441984
EOS-2-07346,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)nn1,ZYLJBHJZVISVAJ-UHFFFAOYSA-N,2,1,0.429,59,692,453.359,3.779,5,0.296,0.59,0.999,0.7053920224796107,0.657314440408471,0.9232232197930231,0.9099787540264547,0.7989771091768899
EOS-2-07347,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)ncc2F)cn1,BDZCWWXQDYEIDJ-UHFFFAOYSA-N,2,1,0.512,59,756,453.359,3.779,5,0.296,0.71,1.0,0.907725652799671,0.9426358714275923,0.8627407305873483,0.8686947433349325,0.895449249537386
EOS-2-07348,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)nc4)n23)cc1F,IMOFVTYPEUUSPF-UHFFFAOYSA-N,2,1,0.467,59,469,453.359,3.779,5,0.296,0.66,1.0,0.7770886162703036,0.8797889109725173,0.8992700980056199,0.8816222328832842,0.8594424645329313
EOS-2-07349,O=c1ncon1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cn4)n23)cc1,ONRHNFCCCVWBMC-UHFFFAOYSA-N,2,1,0.467,46,348,453.365,2.506,5,0.366,0.6,1.0,0.5078387362072511,0.28040401617435406,0.6299345486944007,0.5292903159481872,0.4868669042560483
EOS-2-07350,Fc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)cc1F,NEBHXIWPMUTLFF-UHFFFAOYSA-N,2,1,0.378,96,140,453.374,5.817,5,0.323,0.76,1.0,0.4702984716606127,0.7989599753272565,0.9978154341717497,0.9979096703447331,0.816245887876088
EOS-2-07351,Fc1cc(-c2nnc3cncc(OCc4ccc(OC(F)F)cn4)n23)ccc1-c1ccco1,VGMGBZCGESPXNX-UHFFFAOYSA-N,2,1,0.624,1,850,453.38,4.766,5,0.351,0.66,1.0,0.9077342197244876,0.9187512850387225,0.9495750805290932,0.9220409841683229,0.9245253923651566
EOS-2-07352,Fc1cc(-c2ccco2)cc(-c2nnc3cncc(OCc4ccc(OC(F)F)cn4)n23)c1,CYHSDBUWSCMBBQ-UHFFFAOYSA-N,2,1,0.6,4,439,453.38,4.766,5,0.351,0.71,1.0,0.6721266534164896,0.782365841957371,0.9471163731067096,0.9197621821670893,0.830342762661915
EOS-2-07353,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(F)n5)n34)cc2F)no1,JUFCHPJIIABMDK-UHFFFAOYSA-N,2,1,0.511,37,563,453.384,3.584,5,0.36,0.72,1.0,0.8154170379000754,0.7989685422520731,0.5749006236721267,0.5687153039544925,0.6895003769446919
EOS-2-07354,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1OC(F)F,YXDCVXGGQZLSIV-UHFFFAOYSA-N,2,1,0.533,4,22,453.384,3.896,5,0.399,0.64,1.0,0.8612586525940649,0.8656106504009321,0.9080426290178878,0.8538225618531972,0.8721836234665203
EOS-2-07355,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)nc2F)o1,AIRUFXZGFJMNRP-UHFFFAOYSA-N,2,1,0.473,19,442,453.384,3.584,5,0.36,0.56,1.0,0.7387430607908985,0.6191659241998492,0.5516585566445069,0.5621187718456583,0.6179215783702282
EOS-2-07356,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)no1,FTCCVVUUZXSINJ-UHFFFAOYSA-N,2,1,0.612,27,51,453.384,4.143,5,0.391,0.68,1.0,0.8235556164759098,0.6423137550544856,0.8934360222054691,0.7798300322116373,0.7847838564868754
EOS-2-07357,Cn1cnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)c1,BHFMEMRXMXVOKG-UHFFFAOYSA-N,2,1,0.642,13,374,453.384,4.12,5,0.382,0.76,1.0,0.6783119731341237,0.8656192173257488,0.8739377013227332,0.8373055308066616,0.8137936056473167
EOS-2-07358,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)nc2F)no1,AVMYACMYBXYDEC-UHFFFAOYSA-N,2,1,0.454,84,442,453.384,3.584,5,0.36,0.64,1.0,0.6841888835583579,0.6377732849016517,0.5613991501610582,0.5718336645877595,0.6137987458022068
EOS-2-07359,Fc1cccc(-n2cnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)c1,MOMXELOOMHMSKY-UHFFFAOYSA-N,2,1,0.605,43,996,453.384,3.692,5,0.371,0.71,1.0,0.5489599753272565,0.6964995545199095,0.8218593653622096,0.8044942087588239,0.7179532759920499
EOS-2-07360,COc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5F)n(C)n4)n23)cn1,PAMDREBEXKNAGV-UHFFFAOYSA-N,2,1,0.396,95,956,453.384,3.805,5,0.374,0.75,1.0,0.43268967171544104,0.4654067575902954,0.8062932629703242,0.712759577821945,0.6042873175245014
EOS-2-07361,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-n1cccn1,KMYLVZIYHNCTIU-UHFFFAOYSA-N,2,1,0.659,4,996,453.384,3.692,5,0.371,0.74,1.0,0.4583476115413611,0.6816273730381742,0.8146460146665753,0.7600918374340346,0.6786782091700363
EOS-2-07362,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)nc2F)o1,IBXORKUZERVHGW-UHFFFAOYSA-N,2,1,0.5,19,442,453.384,3.584,5,0.36,0.64,1.0,0.7176255911178123,0.6191744911246659,0.5874169008292783,0.5873912000548284,0.6279020457816463
EOS-2-07363,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)n5)n34)cc2)o1,UCZMQRRMSOVGFL-UHFFFAOYSA-N,2,1,0.529,27,343,453.384,4.143,5,0.391,0.66,1.0,0.8743232129394832,0.8264169693646769,0.8006219587416901,0.5718422315125763,0.7683010931396066
EOS-2-07364,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nc2)no1,BDXXCEZPVWSLMA-UHFFFAOYSA-N,2,1,0.56,27,343,453.384,4.143,5,0.391,0.71,1.0,0.6992838050853266,0.6816359399629909,0.8958004934548695,0.7798385991364539,0.7641397094099103
EOS-2-07365,Cn1nc(-c2ccc(F)cn2)cc1Oc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,DPPHHNVVITTYTB-UHFFFAOYSA-N,2,1,0.605,13,996,453.384,4.12,5,0.382,0.74,1.0,0.6243489137139332,0.8687547118086492,0.8455811801795627,0.7910784044959221,0.7824408025495168
EOS-2-07366,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(F)c5)n34)nc2F)o1,GINFACLELIBFDX-UHFFFAOYSA-N,2,1,0.494,19,442,453.384,3.584,5,0.36,0.54,1.0,0.7054005894044274,0.57530326913851,0.5716965937906929,0.5780789527791104,0.6076198512781852
EOS-2-07367,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)nc1F,GBVSVUANBKMWAH-UHFFFAOYSA-N,2,1,0.374,46,564,453.388,2.856,5,0.361,0.52,0.998,0.5437341511890892,0.4742649578507299,0.42949420875882394,0.4430385168939757,0.4726329586731547
EOS-2-07368,Cn1nc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)n4)n23)cc1-c1cncnc1,SWPMLHGSKJFFBE-UHFFFAOYSA-N,2,1,0.426,27,694,453.388,2.975,5,0.4,0.7,0.996,0.35858577205126446,0.34552977863066275,0.7463590569529162,0.5557107120827908,0.5015463299294085
EOS-2-07369,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nc2)n1,XJYMVICEEGNPHN-UHFFFAOYSA-N,2,1,0.571,27,51,453.388,2.975,5,0.4,0.74,1.0,0.5385511616750052,0.5859605236104448,0.8106966623260914,0.6787231855253238,0.6534828832842163
EOS-2-07370,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cn1,FLQQCAUHSFKFTN-UHFFFAOYSA-N,2,1,0.484,27,185,453.388,2.975,5,0.4,0.7,1.0,0.4803046398464807,0.5472551572887396,0.7936741827153725,0.6438900692207525,0.6162810122678364
EOS-2-07371,Cn1nncc1-c1ncc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)c(F)c1F,HOSRVSFSQIEKEP-UHFFFAOYSA-N,2,1,0.438,58,954,453.388,2.416,5,0.361,0.58,0.986,0.5308580631896375,0.49721574943458297,0.35601569460626414,0.3926735658967857,0.4441907682818176
EOS-2-07372,Cn1nc(-c2nccnn2)cc1COc1cncc2nnc(-c3ccc(C(F)F)cc3F)n12,ASJJIVOIQQXWMH-UHFFFAOYSA-N,2,1,0.452,36,404,453.388,3.033,5,0.386,0.49,1.0,0.47805153861969707,0.6423223219793023,0.6033942156123638,0.571850798437393,0.5739047186621891
EOS-2-07373,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,DUQZASFFJCYSJI-UHFFFAOYSA-N,2,1,0.583,36,51,453.388,2.975,5,0.4,0.75,1.0,0.5962751010897128,0.6046107189363306,0.812718456582825,0.6987355218970598,0.6780849496264821
EOS-2-07374,Cn1cc(-c2cc(F)c(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)nn1,JAURZGOLOPWQTK-UHFFFAOYSA-N,2,1,0.444,92,134,453.388,3.033,5,0.386,0.68,0.998,0.5258207113974368,0.5379000753889384,0.6760503049825235,0.5813600849838941,0.5802827941881982
EOS-2-07375,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)cc1F,CLJXJKJAZVQTLN-UHFFFAOYSA-N,2,1,0.533,37,563,453.388,2.416,5,0.361,0.65,1.0,0.7798043314371873,0.7823744088821877,0.41849427729422245,0.462219861558495,0.6107232197930231
EOS-2-07376,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)c1,GKEWQUAKASXJDF-UHFFFAOYSA-N,2,1,0.558,27,51,453.388,2.975,5,0.4,0.77,1.0,0.5845983825645946,0.6330015077787677,0.7649664176547186,0.6119183058049482,0.6486211534507573
EOS-2-07377,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)n1,QCXSVSUQHBKJAS-UHFFFAOYSA-N,2,1,0.472,36,51,453.388,2.975,5,0.4,0.76,1.0,0.7054091563292441,0.6573230073332876,0.7233996984442465,0.602306216160647,0.6721095195668563
EOS-2-07378,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)nc2F)nn1,DDGQLKDCBJPIAX-UHFFFAOYSA-N,2,1,0.41,31,814,453.388,2.416,5,0.361,0.63,0.977,0.4729627852785964,0.43021383044342404,0.4445120279624426,0.44304708381879243,0.4476839318758139
EOS-2-07379,Cn1cc(-c2cnnc(-c3nnc4cncc(OCc5ccncc5)n34)c2)c(C(F)(F)F)n1,BGMRFHDLLURLBC-UHFFFAOYSA-N,2,1,0.411,92,182,453.388,2.975,5,0.4,0.67,1.0,0.3970598314029196,0.3354550750462614,0.7765831677061202,0.5904667260640121,0.5248912000548284
EOS-2-07380,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cn5)n34)cc2)n1,AXMWUSNEBSLFBI-UHFFFAOYSA-N,2,1,0.585,36,51,453.388,2.975,5,0.4,0.73,1.0,0.46060071276814474,0.5613477486121582,0.8146545815913919,0.669796449866356,0.6265998732095127
EOS-2-07381,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)c(F)c1,IMSSTSCRUCBZBM-UHFFFAOYSA-N,2,1,0.516,37,563,453.388,2.416,5,0.386,0.68,1.0,0.7113546021520115,0.7110633267082448,0.4656209307107121,0.5057998081008841,0.5984596669179632
EOS-2-07382,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,KPMDXZMKBQQKIQ-UHFFFAOYSA-N,2,1,0.411,6,870,453.397,3.625,6,0.381,0.64,1.0,0.7566393667329175,0.6423308889041189,0.489968131039682,0.4398002193132753,0.5821846514974984
EOS-2-07383,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)ccc1C(F)(F)F,ZCBVNOFLBFJESD-UHFFFAOYSA-N,2,1,0.548,1,138,453.399,5.319,5,0.338,0.73,1.0,0.898284901651703,0.8264255362894936,0.995228222877116,0.9891799739565486,0.9272796586937153
EOS-2-07384,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5F)n34)cnn2)nn1,UCRKWKKCANTVTK-UHFFFAOYSA-N,2,1,0.318,71,63,453.401,2.598,6,0.388,0.6,0.999,0.26735658967856896,0.3837896648619012,0.17001918991158935,0.20280481118497704,0.2559925639092591
EOS-2-07385,Fc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)cn1,UMPAETAKEJRPRN-UHFFFAOYSA-N,2,1,0.324,80,584,453.401,2.755,6,0.413,0.61,1.0,0.5933966143513124,0.5753118360633267,0.27509252278802,0.23498218079638133,0.4196957884997601
EOS-2-07386,Cc1cc(-c2nn(C)cc2-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)ccc1F,OYLOYDHJMLWPFJ-UHFFFAOYSA-N,2,1,0.456,96,243,453.403,4.72,5,0.37,0.72,1.0,0.17973408265369062,0.4392776368994586,0.9683366458775958,0.9261102734562402,0.6283646597217464
EOS-2-07387,Cc1nn(C)c(-c2cncc(F)c2)c1-c1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,DCODFMODDITDIP-UHFFFAOYSA-N,2,1,0.337,61,315,453.403,4.72,5,0.37,0.76,1.0,0.20214515797409363,0.38379823178671785,0.9581677061202111,0.9313275306695908,0.6188596566376534
EOS-2-07388,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)o2)cc1F,LINNPGPTKCTGLN-UHFFFAOYSA-N,2,1,0.329,30,641,453.412,4.849,6,0.377,0.79,0.994,0.3252175998903434,0.48755225824138165,0.7311784661777808,0.7889623740662052,0.5832276745939278
EOS-2-07389,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)o2)cc1,JVVJXIYSMOQQCB-UHFFFAOYSA-N,2,1,0.392,3,950,453.412,4.849,6,0.377,0.79,1.0,0.3304177232540607,0.5242615310808032,0.7463676238777328,0.8001936125008567,0.6003101226783634
EOS-2-07390,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1F,XGZOLEZVCGHJMU-UHFFFAOYSA-N,2,1,0.346,41,30,453.412,4.849,6,0.377,0.77,1.0,0.42142416558152285,0.46992152696867934,0.8376139401000616,0.8468919196765129,0.6439628880816942
EOS-2-07391,Fc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3F)n12,FNUBHASEILKTEQ-UHFFFAOYSA-N,2,1,0.325,32,299,453.412,4.849,6,0.352,0.67,1.0,0.342428551847029,0.4480501679117264,0.7936827496401891,0.8002021794256734,0.5960909122061545
EOS-2-07392,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(F)c1,LSPJNWABZXWHMK-UHFFFAOYSA-N,2,1,0.302,64,885,453.412,4.849,6,0.377,0.75,1.0,0.3883986704132685,0.4302223973682407,0.7789904735796038,0.8252690014392434,0.6057201357000891
EOS-2-07393,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c1F,LZNKQOBPIIBMMW-UHFFFAOYSA-N,2,1,0.313,69,152,453.412,4.849,6,0.377,0.66,1.0,0.29464224521965593,0.4028168048797204,0.8164365019532589,0.8334161469398944,0.5868279247481324
EOS-2-07394,Fc1ccc(-c2ncoc2-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cc1,KZOYQTRCEWWUKO-UHFFFAOYSA-N,2,1,0.338,64,885,453.412,4.849,6,0.377,0.76,1.0,0.31784147762319237,0.38845007196216846,0.6568860941676375,0.7626533479542184,0.5314577479268041
EOS-2-07395,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cn5)n34)ncc2F)cc1,YBLAZKUOZZZXMZ-UHFFFAOYSA-N,2,1,0.312,32,20,453.412,4.849,6,0.377,0.71,0.988,0.37697895963265027,0.4435011308340758,0.8455897471043794,0.860530463984648,0.6316500753889384
EOS-2-07396,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)cc6)o5)n34)cn2)cc1,UUFSMLXHQKYFJN-UHFFFAOYSA-N,2,1,0.375,3,950,453.412,4.849,6,0.377,0.81,1.0,0.2594750188472346,0.4972243163593996,0.7463761908025495,0.8132410389966418,0.5790791412514564
EOS-2-07397,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnoc5)c(F)c4)n23)c1,UCMSQCCEVRDMDB-UHFFFAOYSA-N,2,1,0.333,64,885,453.412,4.849,6,0.377,0.69,1.0,0.310191213761908,0.2962528270851895,0.7959958193406894,0.8504043588513467,0.5632110547597834
EOS-2-07398,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)ccc1-c1cccnc1F,QTSWBOQGCSPHIM-UHFFFAOYSA-N,2,1,0.367,69,152,453.412,4.849,6,0.352,0.68,1.0,0.3537882941539305,0.45230792954561033,0.8711877184565828,0.8687033102597491,0.6364968131039682
EOS-2-07399,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)cc1F,RFZMAOVJSGIDSY-UHFFFAOYSA-N,2,1,0.346,3,186,453.412,4.849,6,0.377,0.74,1.0,0.3839010348845179,0.44805873483654307,0.819786169556576,0.852254814611747,0.6260001884723461
EOS-2-07400,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5F)n34)nc2)nc1,ALIFHRUAOJNPGJ-UHFFFAOYSA-N,2,1,0.299,32,174,453.412,4.849,6,0.377,0.68,0.976,0.34478445617161263,0.4213042286340895,0.8440648344870125,0.8504129257761633,0.6151416112672194
EOS-2-07401,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncccc4F)cc3)n12,QBRCZOWMELZJDV-UHFFFAOYSA-N,2,1,0.351,69,923,453.412,4.849,6,0.377,0.67,1.0,0.347123226646563,0.465415324515112,0.8407922692070454,0.8522633815365637,0.626398550476321
EOS-2-07402,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2)nc1,ZNXZBIZRLZJQJQ-UHFFFAOYSA-N,2,1,0.338,69,923,453.412,4.849,6,0.377,0.69,1.0,0.3792149270098006,0.47882256185319716,0.8552104036734973,0.8623038174216983,0.6438879274895484
EOS-2-07403,COc1cc(-c2nnc3cncc(OCc4cn(C(F)F)nn4)n23)ccc1-c1nccn1C,UWNQVUWJNLRESQ-UHFFFAOYSA-N,2,1,0.515,36,375,453.413,2.766,5,0.37,0.68,1.0,0.3424371187718457,0.407340141182921,0.38973511068466865,0.2378949352340484,0.344351826468371
EOS-2-07404,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n(C)n1,HWVHEULLIDFZIB-UHFFFAOYSA-N,2,1,0.557,36,292,453.413,3.197,5,0.37,0.71,1.0,0.4754471934754301,0.5472637242135563,0.32985230621616063,0.2911383729696388,0.4109253992186965
EOS-2-07405,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccn(C)n5)n34)nc2OC(F)F)cn1,WGDRARXLNKJYOC-UHFFFAOYSA-N,2,1,0.415,92,105,453.413,2.501,5,0.37,0.67,0.312,0.34933349324926327,0.3455383455554794,0.44081968336645877,0.2911469398944555,0.3567096155164142
EOS-2-07406,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nn2)c1F,KIAMLCYARKMUMO-UHFFFAOYSA-N,2,1,0.31,10,50,453.416,3.774,6,0.401,0.63,1.0,0.0382427523816051,0.21905626756219587,0.6948547049551093,0.7394112809265986,0.4228912514563772
EOS-2-07407,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6c[nH]nn6)cc5F)n34)cc2)cn1,XKSUJYZOKWHCMY-UHFFFAOYSA-N,2,1,0.329,9,725,453.416,3.979,6,0.402,0.65,1.0,0.25171338496333356,0.3403724898910287,0.7856384072373381,0.8045027756836406,0.5455567644438353
EOS-2-07408,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)nc5)n34)cc2F)ccn1,DGXNSVVVJFMXDD-UHFFFAOYSA-N,2,1,0.315,42,693,453.416,3.979,6,0.402,0.54,1.0,0.22703207456651361,0.35018161880611337,0.7983945582893565,0.8109965046946748,0.5466511890891645
EOS-2-07409,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncccn6)nn5)n34)cc2F)c1,AAYUZBHYMSEWHJ-UHFFFAOYSA-N,2,1,0.373,3,783,453.416,3.774,6,0.401,0.62,1.0,0.018350352957302446,0.20426118840381058,0.5842728394215613,0.687512850387225,0.37359930779247486
EOS-2-07410,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)cc1,WAENHMSGVURTIA-UHFFFAOYSA-N,2,1,0.309,39,144,453.416,3.774,6,0.401,0.69,0.997,0.017570762798985676,0.14221095195668562,0.5347560139812213,0.6669008292783223,0.3403596395038037
EOS-2-07411,Fc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)c1F,RGOMLAPOANBIEQ-UHFFFAOYSA-N,2,1,0.35,3,783,453.416,3.774,6,0.401,0.58,1.0,0.017579329723802346,0.1950774450003427,0.5482917551915565,0.6263193064217668,0.34681695908436705
EOS-2-07412,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cc1,AAGXVFKBBYRFSW-UHFFFAOYSA-N,2,1,0.326,10,783,453.416,3.774,6,0.375,0.58,1.0,0.01758789664861901,0.21398464807072853,0.6095538345555479,0.6875214173120416,0.3821619491467343
EOS-2-07413,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cn2)c1F,ZPVPKBJBLZGCSK-UHFFFAOYSA-N,2,1,0.273,39,596,453.416,3.774,6,0.401,0.62,0.99,0.020355013364402715,0.14588616270303612,0.7052378178329107,0.7258584058666301,0.3993343499417449
EOS-2-07414,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)cn2)nc1,MFRHMIJKMXQAGE-UHFFFAOYSA-N,2,1,0.337,42,151,453.416,3.774,6,0.401,0.78,1.0,0.008849633335617847,0.1612980604482215,0.5682441230895757,0.6353231444040847,0.3434287403193749
EOS-2-07415,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3F)n12,WOBPJEWIZSWGEM-UHFFFAOYSA-N,2,1,0.317,42,7,453.416,3.979,6,0.43,0.67,1.0,0.3050938934959907,0.3884586388869851,0.7673994243026523,0.7818860941676375,0.5607095127133164
EOS-2-07416,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ncn(-c5cccc(F)n5)n4)n23)cc1,ZHAXKCHUGPETIN-UHFFFAOYSA-N,2,1,0.318,3,118,453.416,3.774,6,0.375,0.73,0.996,0.05007367555342334,0.23983962716743198,0.45533205400589405,0.5653742032759921,0.3276548900006854
EOS-2-07417,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1F,BMGKKEYQLSSPPB-UHFFFAOYSA-N,2,1,0.279,39,144,453.416,3.774,6,0.401,0.73,0.931,0.022385374545952984,0.11160989651154822,0.518101912137619,0.6323161537934343,0.32110333424713866
EOS-2-07418,Fc1cnc(-n2nnnc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(F)c1,OERFQUYYWUJJNF-UHFFFAOYSA-N,2,1,0.355,93,689,453.416,3.774,6,0.401,0.81,0.999,0.058563498046741144,0.244868412034816,0.4079740936193544,0.6023147830854636,0.3284301966965938
EOS-2-07419,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccc6F)c5)n34)cn2)n1,BDIZWBCHYHYTLQ-UHFFFAOYSA-N,2,1,0.303,10,664,453.416,3.774,6,0.375,0.73,0.999,0.011745253923651566,0.2139932149955452,0.5483003221163731,0.587399766979645,0.34035963950380377
EOS-2-07420,Fc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cn2)c1,FCBFQESPQYZGOI-UHFFFAOYSA-N,2,1,0.31,94,673,453.416,3.774,6,0.401,0.72,0.913,0.030215543828387363,0.19050270714824208,0.757787334658351,0.7748697827427866,0.43834384209444177
EOS-2-07421,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(F)c1,YKEFFQXDTISDJQ-UHFFFAOYSA-N,2,1,0.294,39,144,453.416,3.774,6,0.401,0.74,0.968,0.022393941470769653,0.12809265985881707,0.4830117880885477,0.6149509971900486,0.3121123466520458
EOS-2-07422,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)c(F)c1,HSMLFRLVGIJANK-UHFFFAOYSA-N,2,1,0.304,30,158,453.416,3.774,6,0.401,0.78,0.759,0.04120690836817216,0.21400178192036187,0.45163114248509356,0.6176924131313823,0.3311330614762525
EOS-2-07423,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cn2)ccn1,ZGCIMPDJQVSQNM-UHFFFAOYSA-N,2,1,0.307,42,7,453.416,3.979,6,0.402,0.68,1.0,0.317850044548009,0.3930162428894524,0.7535210060996504,0.757453224590501,0.5554601295319033
EOS-2-07424,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cn2)nc1,OZFCESADMSCVEJ-UHFFFAOYSA-N,2,1,0.31,32,154,453.416,3.979,6,0.43,0.63,1.0,0.32522616681516003,0.40734870810773766,0.7052463847577274,0.7284199163868138,0.5415602940168597
EOS-2-07425,Fc1cnc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cc1F,JOZZZOZLELFZBX-UHFFFAOYSA-N,2,1,0.275,10,195,453.416,3.774,6,0.401,0.7,0.984,0.01759646357343568,0.1144883832499486,0.5970803920224796,0.6438986361455692,0.3432659687478583
EOS-2-07426,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cc5)n34)cn2)nc1,FNQORJVDRHLOOT-UHFFFAOYSA-N,2,1,0.31,42,150,453.416,3.774,6,0.401,0.7,1.0,0.03022411075320403,0.16520457816462203,0.5938763621410459,0.6412257556027688,0.35763270166541017
EOS-2-07427,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)cc1,DZFBFKGEYVKOSP-UHFFFAOYSA-N,2,1,0.325,10,783,453.416,3.774,6,0.401,0.61,0.999,0.031543417174970875,0.20426975532862723,0.6329501062298677,0.7368669042560483,0.4014075457473785
EOS-2-07428,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)nn2)nc1,JKPSDIWTEFGXCW-UHFFFAOYSA-N,2,1,0.315,10,783,453.416,3.774,6,0.401,0.71,0.994,0.00820711397436776,0.13478342814063463,0.587425467754095,0.6902885340278254,0.3551761359742307
EOS-2-07429,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5F)n34)n2)c1,QAEHGTYKWLAFQI-UHFFFAOYSA-N,2,1,0.333,10,118,453.416,3.774,6,0.401,0.66,1.0,0.053269138510040434,0.25980056199026796,0.5483088890411898,0.6234922212322664,0.3712177026934412
EOS-2-07430,Fc1cc(F)cc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)c1,BGOPQNBPPMARBG-UHFFFAOYSA-N,2,1,0.317,3,171,453.416,3.774,6,0.401,0.74,1.0,0.058572064971557807,0.26495785072990197,0.694863271879926,0.7444400657939826,0.4407083133438421
EOS-2-07431,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cc1F,WWSGNQMWBRUURF-UHFFFAOYSA-N,2,1,0.31,3,171,453.416,3.774,6,0.401,0.66,1.0,0.05008224247824001,0.2857754780344048,0.7311870331025975,0.7652919607977521,0.45808417860324857
EOS-2-07432,Fc1cc(-c2nnc3cncc(-c4ccc(-n5cnnc5)cn4)n23)ccc1-c1ncccc1F,QGOPEGKYKNOMNB-UHFFFAOYSA-N,2,1,0.333,10,314,453.416,3.774,6,0.401,0.62,1.0,0.0532777054348571,0.16521314508943868,0.7463847577273662,0.7547803440477007,0.4299139880748407
EOS-2-07433,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)nc1,SNNOQUNCSSECHW-UHFFFAOYSA-N,2,1,0.307,32,693,453.416,3.979,6,0.43,0.66,1.0,0.29465081214447264,0.3790778562127339,0.6393752998423686,0.6847114659721746,0.49945385854293745
EOS-2-07434,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncc(F)cn6)c5)n34)cc2)nc1,SSXZBKIHQWZSDN-UHFFFAOYSA-N,2,1,0.317,42,150,453.416,3.774,6,0.401,0.8,1.0,0.03825131930642177,0.1819529161812076,0.5842814063463779,0.6263278733465835,0.3577033787951477
EOS-2-07435,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5F)n34)nc2)c1,WIAIIDXNZPDYSS-UHFFFAOYSA-N,2,1,0.313,42,154,453.416,3.979,6,0.43,0.67,1.0,0.31538277020080874,0.41690939620313894,0.7414245082585155,0.7676478651223357,0.5603411349461997
EOS-2-07436,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5F)n34)nn2)c1,PFYRFIVCZAEWBB-UHFFFAOYSA-N,2,1,0.333,10,115,453.416,3.774,6,0.401,0.64,1.0,0.04266328558700569,0.23984819409224864,0.6184805702145157,0.6847200328969913,0.39642802069769034
EOS-2-07437,Fc1ccc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)cn2)c1,LGGXUZZBGQVKRO-UHFFFAOYSA-N,2,1,0.274,94,673,453.416,3.774,6,0.401,0.69,0.956,0.015737440888218764,0.16130662737303816,0.7488263313001166,0.7772513878418204,0.42578044685079847
EOS-2-07438,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)c(F)c1,VESHNHVLPYPDMM-UHFFFAOYSA-N,2,1,0.314,3,783,453.416,3.774,6,0.401,0.67,1.0,0.03530429716948804,0.22429922554999657,0.6785775478034405,0.7420498937701323,0.4200577410732643
EOS-2-07439,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncc(F)cn6)c5)n34)cn2)cc1,TXIRZMUEYAFEDH-UHFFFAOYSA-N,2,1,0.329,42,673,453.416,3.774,6,0.401,0.77,1.0,0.016517031046535537,0.19508601192515934,0.5809660064423274,0.6439072030703858,0.35911906312110203
EOS-2-07440,Fc1cc(-c2nc[nH]n2)cc(F)c1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,YMMMDJDFACXHGR-UHFFFAOYSA-N,2,1,0.325,42,171,453.416,3.979,6,0.43,0.63,1.0,0.29177232540607223,0.3884672058118018,0.7960043862655062,0.8023610444794737,0.5696512404907135
EOS-2-07441,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccc(F)cn5)c4)n23)cc1,ZRGMAPFJEPFPLV-UHFFFAOYSA-N,2,1,0.298,39,449,453.416,3.774,6,0.401,0.67,0.996,0.02134877664313618,0.1537420327599205,0.534764580906038,0.632324720718251,0.33554502775683637
EOS-2-07442,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cc1F,PPZCIHIHEIQERA-UHFFFAOYSA-N,2,1,0.306,3,158,453.416,3.774,6,0.401,0.76,1.0,0.04854019601123981,0.254874580220684,0.5181104790624358,0.6439157699952025,0.36636025632239055
EOS-2-07443,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncc(F)c6)nn5)n34)cc2)nc1,PIHFJCMWNOWAME-UHFFFAOYSA-N,2,1,0.31,3,783,453.416,3.774,6,0.401,0.66,1.0,0.03671783976423823,0.1863734493866082,0.6703532999794394,0.7258669727914467,0.4048278904804331
EOS-2-07444,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ncc(-c5ccccn5)cc4F)n23)nn1,QLPQQVRKEMYDNY-UHFFFAOYSA-N,2,1,0.308,10,37,453.416,3.774,6,0.401,0.69,0.895,0.016525597971352203,0.1347919950654513,0.5001370707970667,0.6119268727297649,0.3158453841409088
EOS-2-07445,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)nc2)nc1,BOTLJTOPZWIMPN-UHFFFAOYSA-N,2,1,0.288,10,37,453.416,3.774,6,0.401,0.65,1.0,0.016534164896168872,0.15747721197998765,0.5842899732711946,0.6669093962031389,0.35630268658762254
EOS-2-07446,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncccc6F)nn5)n34)cn2)cc1,ZSGIVSWAOCCDOS-UHFFFAOYSA-N,2,1,0.321,10,783,453.416,3.774,6,0.401,0.71,1.0,0.018358919882119115,0.23985676101706532,0.5381742169830718,0.6439243369200192,0.3600785587005688
EOS-2-07447,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ccno6)n5)n34)cc2)no1,URANDUNNYNEMTF-UHFFFAOYSA-N,2,1,0.429,40,59,453.422,3.174,6,0.367,0.61,1.0,0.48774929751216506,0.3645483517236653,0.10752347337399767,0.08025495168254404,0.260019018573093
EOS-2-07448,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ncon6)n5)n34)c2)no1,FEBUIPJNQCIEOI-UHFFFAOYSA-N,2,1,0.473,40,857,453.422,3.174,6,0.367,0.7,1.0,0.32262182167089304,0.24487697895963265,0.0972688643684463,0.0767510794325269,0.18537968610787472
EOS-2-07449,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccoc6)cn5)n34)cn2)no1,WEDRZMXTUGNLHV-UHFFFAOYSA-N,2,1,0.432,80,34,453.422,3.174,6,0.367,0.61,1.0,0.3861541361113015,0.3062075937221575,0.11018778699198135,0.08541224042217806,0.22199043931190462
EOS-2-07450,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cc2)no1,KMOWDNNUULETKM-UHFFFAOYSA-N,2,1,0.484,81,609,453.422,3.174,6,0.367,0.67,1.0,0.4374443149886917,0.30111027345624014,0.1160047289424988,0.08724556233294496,0.2354512199300939
EOS-2-07451,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)o1,ZTRFJZDOOIQYBH-UHFFFAOYSA-N,2,1,0.412,81,59,453.422,3.174,6,0.367,0.63,1.0,0.48281474881776437,0.3354636419710781,0.07852443286957714,0.05941162360359126,0.23905361181550272
EOS-2-07452,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)no1,YNWDBGXWMXGORE-UHFFFAOYSA-N,2,1,0.506,40,117,453.422,3.174,6,0.367,0.62,1.0,0.4442635871427592,0.34554691248029606,0.1573058734836543,0.11454835172366527,0.2654161812075937
EOS-2-07453,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nc5)n34)cc2)o1,LVTYKFMBCORZQO-UHFFFAOYSA-N,2,1,0.553,81,49,453.422,3.174,6,0.367,0.61,1.0,0.5514272496744569,0.270243643341786,0.17348022753752312,0.12368069357823316,0.27970795353299976
EOS-2-07454,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)no1,VLMOKXFCUXQFLP-UHFFFAOYSA-N,2,1,0.467,40,25,453.422,3.174,6,0.367,0.59,1.0,0.409995887876088,0.3165050373517922,0.11601329586731547,0.10106401206223015,0.23589455828935646
EOS-2-07455,COc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6noc(C)n6)cc5)n34)o2)cn1,HEAKZZQRWFMOPT-UHFFFAOYSA-N,2,1,0.318,38,725,453.422,3.27,6,0.379,0.72,1.0,0.28079809471592077,0.16131519429785485,0.09985607566307998,0.06235007881570832,0.151079860873141
EOS-2-07456,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccoc6)nn5)n34)cc2)o1,BOTDBPALRLZRQX-UHFFFAOYSA-N,2,1,0.429,71,117,453.422,3.174,6,0.367,0.67,1.0,0.49022513878418206,0.3403810568158454,0.10753204029881434,0.09297683503529573,0.25777876773353436
EOS-2-07457,COc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc(C)no6)cc5)n34)nc2)o1,QBTVRNAOKQOPCF-UHFFFAOYSA-N,2,1,0.333,38,193,453.422,3.27,6,0.379,0.69,1.0,0.36301487218148176,0.18638201631142484,0.09986464258789665,0.06096223699540813,0.17755594201905284
EOS-2-07458,COc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)o6)cn5)n34)nc2)o1,BYHQUMULCYZUSA-UHFFFAOYSA-N,2,1,0.278,70,392,453.422,3.27,6,0.379,0.63,0.997,0.33042629017887737,0.15375059968473717,0.11602186279213214,0.06563121102049209,0.16645749091905968
EOS-2-07459,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2)n1,ASJSVDLURYAHNP-UHFFFAOYSA-N,2,1,0.5,40,117,453.422,3.174,6,0.367,0.57,1.0,0.4077085189500377,0.31651360427660885,0.170027756836406,0.12143615927626619,0.2539215098348297
EOS-2-07460,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccoc6)nc5)n34)nn2)no1,KGRRECWHQAVIGY-UHFFFAOYSA-N,2,1,0.417,6,843,453.422,3.174,6,0.367,0.6,1.0,0.3722328832842163,0.2702522102666027,0.09256562264409568,0.08374169008292784,0.20469810156946064
EOS-2-07461,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4noc(C)n4)cn3)n12,FJLHPCGXBJSAHW-UHFFFAOYSA-N,2,1,0.264,70,369,453.422,3.27,6,0.379,0.62,1.0,0.2594835857720513,0.09858817079021315,0.15731444040847098,0.1052275375231307,0.15515343362346654
EOS-2-07462,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)no5)n34)cc2)o1,ZEERGTSWVUHHAC-UHFFFAOYSA-N,2,1,0.452,40,25,453.422,3.174,6,0.367,0.72,1.0,0.44212185593859227,0.39302480981426907,0.08304776917277774,0.06731889520937565,0.24637833253375369
EOS-2-07463,COc1nc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4noc(C)n4)cc3)n12,YTSGQJAPVDIMJN-UHFFFAOYSA-N,2,1,0.318,38,725,453.422,3.27,6,0.379,0.61,1.0,0.34713179357137963,0.13127955589061752,0.107540607223631,0.06910081557124255,0.1637631930642177
EOS-2-07464,Cc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)no1,BWYSBGDUUGNYQK-UHFFFAOYSA-N,2,1,0.446,80,355,453.422,3.174,6,0.367,0.63,1.0,0.4190682612569392,0.35503049825234734,0.11888321568089918,0.10322287711603043,0.24905121307655403
EOS-2-07465,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cccnn6)no5)n34)cc2)o1,GVWWUYNHUALPRG-UHFFFAOYSA-N,2,1,0.511,81,49,453.422,3.174,6,0.367,0.68,1.0,0.5437427181139058,0.36455691864848194,0.1392382290453019,0.10966520457816462,0.28930076759646356
EOS-2-07466,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)c2)no1,RWXCVMPNNBKLBE-UHFFFAOYSA-N,2,1,0.458,81,609,453.422,3.174,6,0.367,0.73,1.0,0.30510246042080735,0.22430779247481325,0.10508189980124734,0.08198547049551093,0.17911940579809474
EOS-2-07467,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)nc5)n34)cc2)o1,KFYGAYWLQVVMIP-UHFFFAOYSA-N,2,1,0.553,81,49,453.422,3.174,6,0.367,0.63,1.0,0.48535055856349807,0.2598091289150846,0.19986635597285998,0.14848194092248646,0.27337699609348226
EOS-2-07468,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)no1,KUIGXUFVNBMMCM-UHFFFAOYSA-N,2,1,0.553,56,415,453.426,2.006,6,0.364,0.62,1.0,0.3630234391062984,0.21401034884517853,0.03775443766705503,0.03592968268110479,0.16267947707490918
EOS-2-07469,Cn1cc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)nn1,BHLVJHREPMBRSL-UHFFFAOYSA-N,2,1,0.456,71,415,453.426,2.006,6,0.364,0.63,1.0,0.4214327325063395,0.23986532794188198,0.07626276471797684,0.05792954561030773,0.19887259269412652
EOS-2-07470,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5conn5)cn4)n23)cn1,GMUIANIJBCLMDP-UHFFFAOYSA-N,2,1,0.408,80,816,453.426,2.006,6,0.364,0.57,1.0,0.3352923034747447,0.18196148310602425,0.06985470495510931,0.05230964293057364,0.15985453361661295
EOS-2-07471,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnon6)cn5)n34)cc2)cn1,UOGIYFDLPCGIQW-UHFFFAOYSA-N,2,1,0.446,56,614,453.426,2.006,6,0.364,0.53,1.0,0.3304348571036941,0.1779007607429237,0.11301487218148173,0.09493866081831266,0.17907228771160308
EOS-2-07472,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)cn1,JNDPVDLECOPAHO-UHFFFAOYSA-N,2,1,0.414,6,843,453.426,2.006,6,0.364,0.62,0.999,0.2946593790692893,0.15375916660955383,0.04513055993420602,0.03383078610102118,0.13184497292851757
EOS-2-07473,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5nnco5)n4)n23)cn1,IEXSJZRMHDNPSF-UHFFFAOYSA-N,2,1,0.36,6,843,453.426,2.006,6,0.364,0.64,1.0,0.395038037146186,0.18639058323624152,0.05966863134809129,0.04306593105338907,0.17104079569597697
EOS-2-07474,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5nccnn5)no4)n23)cn1,OAAHWHCBPRVCEK-UHFFFAOYSA-N,2,1,0.451,80,816,453.426,2.006,6,0.364,0.56,1.0,0.42360016448495647,0.28578404495922144,0.046861078747172914,0.036932012884654926,0.19829432526900145
EOS-2-07475,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)n1,MSTCIWFITHZSMG-UHFFFAOYSA-N,2,1,0.392,71,826,453.426,2.006,6,0.364,0.7,0.997,0.29979953395929,0.1422195188815023,0.046869645671989583,0.036940579809471595,0.13145731958056336
EOS-2-07476,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)nn5)n34)cc2)n1,JEAZROXRYMYXBK-UHFFFAOYSA-N,2,1,0.5,71,415,453.426,2.006,6,0.364,0.62,1.0,0.38840723733808513,0.20911006785004455,0.05781817558769104,0.0509903365088068,0.1765814543211569
EOS-2-07477,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)n5)n34)cc2)no1,MKLPGCYLCRMHQS-UHFFFAOYSA-N,2,1,0.474,56,415,453.426,2.304,6,0.394,0.61,1.0,0.41439928723185526,0.3260571585223768,0.06367795216229183,0.048385991364539783,0.21313009732026592
EOS-2-07478,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cnc(-c4cnnn4C)nc3)n12,LTLXWLYLQAWHJK-UHFFFAOYSA-N,2,1,0.295,99,780,453.426,2.102,6,0.378,0.64,0.972,0.16603556987183882,0.08614042903159481,0.0785329997943938,0.05499965732300734,0.09642716400520869
EOS-2-07479,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccco6)nn5)n34)cc2)n1,XOPSCIKNMLLWFE-UHFFFAOYSA-N,2,1,0.426,71,614,453.426,2.006,6,0.364,0.67,1.0,0.4190768281817559,0.23421115756288122,0.0377630045918717,0.03593824960592146,0.18174730998560756
EOS-2-07480,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5conn5)n4)n23)cc1,DDVZBMWNEWJKBP-UHFFFAOYSA-N,2,1,0.511,71,609,453.426,2.006,6,0.364,0.61,1.0,0.29466794599410595,0.19509457884997602,0.06768727297649235,0.06563977794530876,0.15577239394147077
EOS-2-07481,Cn1ncc(-c2nnc3cncc(OCc4ncc(-c5nnco5)cn4)n23)c1-c1ccccn1,BOQRNTOCOOKBMA-UHFFFAOYSA-N,2,1,0.411,6,843,453.426,2.006,6,0.364,0.61,1.0,0.2621307655404016,0.1613237612226715,0.035038722500171336,0.028879103556987185,0.1218430882050579
EOS-2-07482,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cocn5)n4)n23)cn1,QRDRDWZJZHDKCN-UHFFFAOYSA-N,2,1,0.473,6,843,453.426,2.006,6,0.364,0.6,1.0,0.272719484613803,0.1779093276677404,0.0434857103694058,0.038011445411555066,0.13303149201562606
EOS-2-07483,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)nn1,HYTSADWAGIBQLD-UHFFFAOYSA-N,2,1,0.418,71,197,453.426,2.006,6,0.364,0.62,1.0,0.3585943389760812,0.24977725995476663,0.0880080186416284,0.06396066068124186,0.19008506956342952
EOS-2-07484,Cn1ncnc1-c1cnnc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)n1,WZAKNYLADLHXJZ-UHFFFAOYSA-N,2,1,0.415,71,415,453.426,2.006,6,0.364,0.59,1.0,0.4654924268384621,0.2497858268795833,0.03240010965663765,0.02888767048180385,0.19414150846412173
EOS-2-07485,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)no5)n34)cc2)n1,IVBVOWLHPQRLLG-UHFFFAOYSA-N,2,1,0.478,56,415,453.426,2.006,6,0.364,0.72,1.0,0.38390960180933453,0.30621616064697416,0.035047289424988005,0.030635323144404085,0.1889520937564252
EOS-2-07486,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)no1,SAKSSECGPRLDBK-UHFFFAOYSA-N,2,1,0.5,6,843,453.426,2.006,6,0.364,0.68,1.0,0.27017510794325267,0.21906483448701256,0.043494277294222464,0.04698958261942293,0.14493095058597766
EOS-2-07487,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cn2)cn1,POIARSIBQKATEO-UHFFFAOYSA-N,2,1,0.396,80,816,453.426,2.006,6,0.364,0.55,1.0,0.305111027345624,0.19051127407305873,0.09482729079569598,0.06564834487012541,0.16402448427112604
EOS-2-07488,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncon6)n5)n34)cc2)n1,HGXFWESHHREFLE-UHFFFAOYSA-N,2,1,0.506,56,415,453.426,2.006,6,0.364,0.58,1.0,0.3769875265574669,0.20911863477486123,0.05031354944829004,0.04058152285655541,0.1692503084092934
EOS-2-07489,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cn2)no1,GNAOCIZHMYOWQZ-UHFFFAOYSA-N,2,1,0.558,56,425,453.426,2.304,6,0.394,0.68,1.0,0.5462785278596395,0.3455554794051127,0.09257418956891235,0.07090843670755946,0.263829158385306
EOS-2-07490,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6conn6)cn5)n34)cc2)n1,USVLKVQVOUJBFZ-UHFFFAOYSA-N,2,1,0.462,71,614,453.426,2.006,6,0.364,0.55,1.0,0.34244568569666234,0.20427832225344392,0.08560071276814475,0.06235864574052498,0.17367084161469398
EOS-2-07491,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)cn5)n34)cc2)n1,SEKFPLWXKBTNLY-UHFFFAOYSA-N,2,1,0.529,71,415,453.426,2.006,6,0.364,0.58,1.0,0.33044342402851073,0.1905198409978754,0.10231478308546364,0.0819940374203276,0.17631802138304434
EOS-2-07492,Cn1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cocn6)nc5)n34)n2)n1,ANOLVEHORNXTGA-UHFFFAOYSA-N,2,1,0.415,6,843,453.426,2.006,6,0.364,0.55,1.0,0.33769960934822835,0.16914536358028923,0.06986327187992598,0.05099890343362347,0.15692678706051677
EOS-2-07493,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)nc1,CYQTXNALYPOVJI-UHFFFAOYSA-N,2,1,0.44,71,826,453.426,2.006,6,0.364,0.65,1.0,0.40542971694880403,0.14981838119388663,0.08068329792337743,0.07675964635734357,0.1781727606058529
EOS-2-07494,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)cc1,IDPQGFIEYLGLCZ-UHFFFAOYSA-N,2,1,0.547,71,415,453.426,2.006,6,0.364,0.59,1.0,0.3471403604961963,0.19510314577479268,0.08069186484819409,0.07091700363237612,0.17346309368788979
EOS-2-07495,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cn4)n23)cn1,GXLMDEYQQIOVGP-UHFFFAOYSA-N,2,1,0.5,6,843,453.426,2.006,6,0.364,0.65,1.0,0.3226303885957097,0.20912720169967788,0.059677198272907954,0.055008224247824,0.1616107532040299
EOS-2-07496,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)no1,ICBZUQYPOGXAEG-UHFFFAOYSA-N,2,1,0.529,56,868,453.426,2.006,6,0.364,0.64,1.0,0.32263895552052635,0.2190734014118292,0.06769583990130902,0.07676821328216024,0.1715441025289562
EOS-2-07497,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)no1,YURCZJOBFIYCDV-UHFFFAOYSA-N,2,1,0.426,6,584,453.426,2.304,6,0.394,0.57,1.0,0.3769960934822836,0.35019018573093,0.0420207662257556,0.02889623740662052,0.1995258207113974
EOS-2-07498,Cn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,YXHGRACAJNVJNA-UHFFFAOYSA-N,2,1,0.417,71,614,453.426,2.006,6,0.364,0.6,1.0,0.32022308272222605,0.16522171201425537,0.08560927969296142,0.07092557055719279,0.16049491124665888
EOS-2-07499,COc1ncc(-c2nnn(C)n2)cc1-c1cncc2nnc(-c3ccc(-c4cnco4)nc3)n12,PHCJMBNGLVTDKK-UHFFFAOYSA-N,2,1,0.297,86,899,453.426,2.102,6,0.378,0.65,1.0,0.17395140840243986,0.08929305736412857,0.0617675279281749,0.039356452607771916,0.09109211157562883
EOS-2-07500,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5nnco5)n4)n23)cc1,PVWKEHNOPABMHS-UHFFFAOYSA-N,2,1,0.418,71,428,453.426,2.006,6,0.364,0.62,1.0,0.4853591254883147,0.20913576862449454,0.04845452676307313,0.04059008978137208,0.19588487766431364
EOS-2-07501,Cc1nc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)no1,BEPHWVCBNWJXHA-UHFFFAOYSA-N,2,1,0.489,56,425,453.426,2.304,6,0.394,0.6,1.0,0.4261017065314235,0.355039065177164,0.03639229662120485,0.026865876225070248,0.2110997361387156
EOS-2-07502,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5conn5)nc4)n23)cc1,KFBDWKNWFJSERJ-UHFFFAOYSA-N,2,1,0.523,71,49,453.426,2.006,6,0.364,0.62,1.0,0.4144078541566719,0.18197005003084094,0.09727743129326297,0.08914741964224522,0.19570068878075525
EOS-2-07503,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cccnc6)n5)n34)cc2)n1,GYMNDRZSAOKESD-UHFFFAOYSA-N,2,1,0.429,56,197,453.426,2.006,6,0.364,0.73,1.0,0.4100044548009047,0.2804125830991707,0.035055856349804675,0.030643890069220754,0.1890291960797752
EOS-2-07504,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2)n1,IMXOVKWUZVUKEJ-UHFFFAOYSA-N,2,1,0.529,71,415,453.426,2.006,6,0.364,0.56,1.0,0.3654136111301487,0.20914433554931122,0.08305633609759441,0.06236721266534165,0.179995373860599
EOS-2-07505,c1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)nc(-n2nccn2)c1,SHBAKWWWFKHBJD-UHFFFAOYSA-N,2,1,0.39,6,826,453.426,1.833,6,0.348,0.64,0.992,0.3023953121787403,0.11449695017476527,0.03640086354602152,0.029735796038653964,0.12075723048454527
EOS-2-07506,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5nnco5)n34)cn2)n1,UPQXWODHSDLCBA-UHFFFAOYSA-N,2,1,0.436,71,826,453.426,2.006,6,0.364,0.61,1.0,0.39055753546706873,0.21908196833664587,0.05782674251250771,0.05353471317935714,0.18025023987389485
EOS-2-07507,Cn1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)n1,OGRPJHVVVAASBH-UHFFFAOYSA-N,2,1,0.415,56,428,453.426,2.006,6,0.364,0.57,1.0,0.4144164210814886,0.2294565142896306,0.03117503940785416,0.024133027208553218,0.17479525049688166
EOS-2-07508,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnccn6)nn5)n34)o2)n[nH]1,URAQJDOXZNFFQN-UHFFFAOYSA-N,2,1,0.354,7,828,453.426,2.304,6,0.394,0.43,0.022,0.1912651634569255,0.10500479747789733,0.04846309368788979,0.039365019532588585,0.09602451853882531
EOS-2-07509,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6conn6)nc5)n34)nc2)cn1,CPILBCGORYMSAI-UHFFFAOYSA-N,2,1,0.376,80,855,453.426,2.006,6,0.364,0.62,1.0,0.2917808923308889,0.18639915016105818,0.11603042971694881,0.08200260434514427,0.16905326913851004
EOS-2-07510,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)n5)n34)nn2)cn1,BGFLQAQWXNNOSI-UHFFFAOYSA-N,2,1,0.378,53,44,453.43,1.136,6,0.384,0.52,0.204,0.19381810705229252,0.12810122678363375,0.035064423274621344,0.025992049893770134,0.09574395175107944
EOS-2-07511,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)n1,HGWKSHNDSHYLSU-UHFFFAOYSA-N,2,1,0.517,56,614,453.43,1.136,6,0.384,0.63,1.0,0.3905661023918854,0.3011188403810568,0.04350284421903913,0.03491878555273799,0.19252664313617981
EOS-2-07512,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4)n23)c1,ZFPDJQRYFNLPOX-UHFFFAOYSA-N,2,1,0.473,36,728,453.43,1.136,6,0.384,0.73,1.0,0.4166952230827222,0.31652217120142556,0.03910801178808855,0.04059865670618874,0.20323101569460628
EOS-2-07513,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nn4)n23)cn1,IGBQSLPINKLBKH-UHFFFAOYSA-N,2,1,0.408,71,502,453.43,0.931,6,0.354,0.66,1.0,0.17672709204304024,0.16133232814748819,0.01442670139126859,0.01090569529161812,0.09084795421835379
EOS-2-07514,Cn1nnc(-c2cccc(Oc3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)n2)n1,NCICWCIULJICGB-UHFFFAOYSA-N,2,1,0.414,67,866,453.43,1.36,6,0.372,0.72,1.0,0.36767527928174903,0.2804211500239874,0.015077787677335345,0.010425947501884723,0.16840004112123913
EOS-2-07515,Cc1cncc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6nn[nH]n6)nc5)n34)n(C)n2)n1,VJGSWDGRLPRSGC-UHFFFAOYSA-N,2,1,0.316,99,502,453.43,1.658,6,0.404,0.58,1.0,0.2946765129189226,0.17791789459255705,0.03240867658145432,0.018795833047769172,0.1309497292851758
EOS-2-07516,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)n1,DZSPXGQPPCCFBJ-UHFFFAOYSA-N,2,1,0.4,56,428,453.43,1.136,6,0.384,0.67,1.0,0.4326982386402577,0.28042971694880403,0.02455280652456994,0.01936125008566925,0.18926050304982522
EOS-2-07517,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5nc(=O)n(C)[nH]5)cc4)n23)n1,BYHLSGMYPSVNLT-UHFFFAOYSA-N,2,1,0.284,98,866,453.43,0.528,6,0.398,0.46,0.911,0.14954423959975327,0.07929545610307724,0.0105116167500514,0.009620656569117949,0.06224299225549997
EOS-2-07518,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)cn2)nn1,YOQHFYANLHCBQM-UHFFFAOYSA-N,2,1,0.373,7,816,453.43,1.136,6,0.384,0.54,1.0,0.3153913371256254,0.23987389486669866,0.0435114111438558,0.03274278664930436,0.15787985744637106
EOS-2-07519,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cocn6)c5)n34)o2)cc1F,VCLFKCGYGILXIL-UHFFFAOYSA-N,2,1,0.308,30,93,453.433,5.521,6,0.339,0.7,1.0,0.5489685422520731,0.4480673017613597,0.855218970598314,0.8045113426084572,0.664191539305051
EOS-2-07520,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnc5)s4)n23)cc1,ATHJCKZYEISYFR-UHFFFAOYSA-N,2,1,0.671,72,996,453.434,3.885,5,0.366,0.77,1.0,0.5563446645192242,0.7342111575628812,0.5516671235693236,0.5329055582208211,0.5937821259680625
EOS-2-07521,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)nc4)n23)nc1,DWLSGFSQJGQCEN-UHFFFAOYSA-N,2,1,0.471,24,805,453.434,3.885,5,0.366,0.7,1.0,0.7510108971283668,0.6423394558289356,0.702753409636077,0.6087314097731479,0.6762087930916318
EOS-2-07522,FC(F)Oc1cccc(-c2nnc3cncc(OCc4csc(-c5cnccn5)n4)n23)c1,KXGCMHKZECYPHM-UHFFFAOYSA-N,2,1,0.6,27,996,453.434,3.885,5,0.366,0.69,1.0,0.5385597285998218,0.7247961071893633,0.5906037968610788,0.5329141251456377,0.5967184394489754
EOS-2-07523,N#Cc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(=O)[nH]n5)c4)n23)cc1F,DAVZZISRHARBOS-UHFFFAOYSA-N,2,1,0.56,91,660,453.437,3.174,5,0.419,0.74,1.0,0.8565125762456308,0.6719981495442396,0.8043742718113905,0.7653005277225687,0.7745463813309574
EOS-2-07524,COc1cc(C#N)c(F)cc1-c1nnc2cncc(-c3ccc(-c4cccnc4OC)cn3)n12,GHUWHYJTOHFRDY-UHFFFAOYSA-N,2,1,0.33,96,697,453.437,3.943,5,0.393,0.65,0.997,0.5203121787403193,0.5753204029881434,0.787471729148105,0.6412343225275855,0.6310846583510383
EOS-2-07525,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cc4)n23)ccc1-c1cc[nH]n1,YHMULXNSYUJMBN-UHFFFAOYSA-N,2,1,0.517,77,427,453.437,4.555,6,0.394,0.65,1.0,0.8930933452128024,0.6816445068878075,0.7936913165650058,0.7574617915153177,0.7814727400452333
EOS-2-07526,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(C#N)ccc5F)n34)c2)cc1=O,FEJQZJAPKFELNU-UHFFFAOYSA-N,2,1,0.473,43,470,453.437,3.142,5,0.402,0.74,1.0,0.5990165170310465,0.5016362826399835,0.810705229250908,0.7748783496676033,0.6715590946473853
EOS-2-07527,Cc1csc(COc2cncc3nnc(-c4cc(-c5cnc(C(F)F)nc5)cnn4)n23)n1,ZRDXSRMIZSKALD-UHFFFAOYSA-N,2,1,0.4,92,182,453.438,3.32,5,0.382,0.57,1.0,0.38616270303611816,0.3838067987115345,0.20697690357069426,0.1511376876156535,0.2820210232335001
EOS-2-07528,Cc1nc(-c2cnc(C)c(F)n2)cc(-c2nnc3cncc(OCc4sncc4F)n23)n1,FOQACKYARSKCOX-UHFFFAOYSA-N,2,1,0.389,7,330,453.438,2.969,5,0.396,0.58,0.999,0.5258292783222535,0.44807586868617644,0.09987320951271332,0.10107257898704682,0.2937127338770475
EOS-2-07529,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc1-n1cccn1,IZEQSBUBTJAVMP-UHFFFAOYSA-N,2,1,0.458,40,763,453.441,3.48,6,0.411,0.58,1.0,0.4976183949009664,0.469930093893496,0.43340072647522443,0.40824823521348774,0.4522993626207936
EOS-2-07530,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cn5)n34)c(F)c2)n1,UEPYCKXJHDWLHT-UHFFFAOYSA-N,2,1,0.325,42,369,453.441,3.751,6,0.397,0.64,1.0,0.3128897950791584,0.32149098759509287,0.3189637447741759,0.2941710643547392,0.3118788979507916
EOS-2-07531,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5coc(-c6cnnn6C)c5)n34)c(F)c2)cn1,SECDRHQTIKMVRD-UHFFFAOYSA-N,2,1,0.299,86,968,453.441,3.751,6,0.397,0.64,0.968,0.14955280652456995,0.2962613940100062,0.4480073332876431,0.417808923308889,0.32790761428277704
EOS-2-07532,Fc1ccc(-n2ncnc2COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1,BWLDQPJNXNHAFF-UHFFFAOYSA-N,2,1,0.453,77,763,453.441,3.48,6,0.411,0.64,1.0,0.5177506682201357,0.5061339181687341,0.44452059488725926,0.4683880474264958,0.4841983071756562
EOS-2-07533,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cc5F)n34)cc2)o1,DIMQEHYBRRYDFF-UHFFFAOYSA-N,2,1,0.354,9,642,453.441,3.751,6,0.397,0.72,1.0,0.24327496401891577,0.35504763210198065,0.3671441299431156,0.3608474402028648,0.33157854156671923
EOS-2-07534,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cc5F)n34)cc2)n1,BLNCCGAUCMTSOQ-UHFFFAOYSA-N,2,1,0.338,9,642,453.441,3.751,6,0.397,0.74,1.0,0.2701836748680694,0.3214995545199095,0.3635545884449318,0.3541395380714139,0.3273443389760812
EOS-2-07535,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cc3)n12,QYDJWRQBEPFSEG-UHFFFAOYSA-N,2,1,0.484,43,611,453.441,3.48,6,0.411,0.65,1.0,0.47545576040024673,0.46993866081831265,0.6004214927009801,0.5522411075320403,0.524514255362895
EOS-2-07536,Cc1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)c(F)c2)n1,SDOZFXSTCYVGJJ-UHFFFAOYSA-N,2,1,0.31,98,314,453.441,3.751,6,0.397,0.65,1.0,0.27511822356247,0.34038962374066206,0.33381022548146116,0.31307826742512507,0.3155990850524296
EOS-2-07537,Cn1nc(-c2ccc(F)cn2)cc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,JMCAYZOZAWUHAC-UHFFFAOYSA-N,2,1,0.381,67,622,453.441,3.908,6,0.421,0.64,1.0,0.5563532314440408,0.5952984716606127,0.4830203550133644,0.4494123089575766,0.5210210917688985
EOS-2-07538,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnn(C)c6)cn5)n34)cc2F)o1,UVSRCWCOJXKXAD-UHFFFAOYSA-N,2,1,0.325,42,167,453.441,3.751,6,0.397,0.66,1.0,0.22971352203413062,0.33547220889589474,0.4866441642108149,0.42129566170927285,0.3682813892125283
EOS-2-07539,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)cc5F)n34)cc2)o1,GPFJITOTVQGZAO-UHFFFAOYSA-N,2,1,0.313,42,303,453.441,3.751,6,0.397,0.74,1.0,0.22704064149133027,0.3215081214447262,0.4295027756836406,0.39268213282160236,0.34268341786032486
EOS-2-07540,Fc1c[nH]nc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)cc1,WOTNCHNWLYLLGI-UHFFFAOYSA-N,2,1,0.484,40,2,453.441,3.48,6,0.411,0.65,1.0,0.5334881091083544,0.4567370296758276,0.5245870742238367,0.48039887601946407,0.49880277225687075
EOS-2-07541,CCn1cnnc1-c1cccc(-c2cncc3nnc(-c4conc4-c4ccc(F)cc4)n23)n1,WGLUOOCGAPMKLO-UHFFFAOYSA-N,2,1,0.322,76,750,453.441,3.926,6,0.386,0.57,0.992,0.19671372764032624,0.25488314714550064,0.19987492289767664,0.28812281543417173,0.2348986532794188
EOS-2-07542,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc6ccccc6n5)n34)c(F)c2)n1,IQMAWHSLCXXDBB-UHFFFAOYSA-N,2,1,0.484,81,891,453.441,3.248,6,0.391,0.73,1.0,0.5258378452470701,0.6234065519840998,0.3262027962442602,0.36739257076279896,0.46070994105955726
EOS-2-07543,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cc(C)[nH]n6)cc5F)n34)cc2)n1,AFGHLMXBNIEAFD-UHFFFAOYSA-N,2,1,0.294,38,725,453.441,4.049,6,0.424,0.61,0.993,0.3074497978205743,0.37908642313755053,0.3485453361661298,0.31904941402234255,0.3385327427866493
EOS-2-07544,Cn1nc(-c2cncc(F)c2)cc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,DXSOJBAMTGLZRP-UHFFFAOYSA-N,2,1,0.367,67,622,453.441,3.908,6,0.421,0.6,1.0,0.5591717497087245,0.5613563155369748,0.5414296484134056,0.492521074635049,0.5386196970735384
EOS-2-07545,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)nc2)n(C)n1,BFLXTWAGAFXKJN-UHFFFAOYSA-N,2,1,0.342,32,750,453.441,3.751,6,0.397,0.67,1.0,0.22130080186416284,0.2857926118840381,0.1830409156329244,0.2320351586594476,0.23054237201014322
EOS-2-07546,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cn5)n34)o2)n1C,BBKNKGHLHHWYGP-UHFFFAOYSA-N,2,1,0.277,76,794,453.441,3.751,6,0.371,0.66,0.976,0.1523027893907203,0.22946508121444725,0.23167534781714755,0.2646066068124186,0.21951245630868343
EOS-2-07547,CCn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnco6)c(F)c5)n34)cn2)cn1,LQWXLIZZNSHOIL-UHFFFAOYSA-N,2,1,0.321,42,72,453.441,3.926,6,0.386,0.68,1.0,0.25949215269686793,0.3215166883695429,0.4445291618120759,0.4242084161469399,0.3624366047563567
EOS-2-07548,Fc1ccc(-n2cnnc2COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1,UHVIVGMYINRBCH-UHFFFAOYSA-N,2,1,0.453,77,763,453.441,3.48,6,0.411,0.6,1.0,0.5874083339044617,0.5332311013638544,0.49317216092111577,0.5160115824823521,0.532455794667946
EOS-2-07549,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)c(F)c2)n[nH]1,NGCQHKWUCLSNPN-UHFFFAOYSA-N,2,1,0.289,98,219,453.445,2.881,6,0.431,0.72,0.999,0.18262113631690768,0.29626996093482283,0.2208553217736961,0.24375471180864916,0.23587528270851893
EOS-2-07550,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)ccc5F)n34)cn2)nn1,RYZNUJQGAXWAHK-UHFFFAOYSA-N,2,1,0.314,98,765,453.445,2.583,6,0.4,0.71,1.0,0.14091734630936878,0.29115550681927216,0.23513638544308135,0.25853265711740114,0.23143547392228087
EOS-2-07551,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5F)n34)nc2)nn1,PTCUZBMPVZSMJT-UHFFFAOYSA-N,2,1,0.313,86,261,453.445,2.583,6,0.4,0.67,1.0,0.11381159618943185,0.22947364813926394,0.19988348982249332,0.20281337810979372,0.1864955280652457
EOS-2-07552,Cc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6n[nH]c(C)n6)cc5F)n34)cn2)nc1,OJKJNFUFPWXIOK-UHFFFAOYSA-N,2,1,0.286,50,151,453.445,2.975,6,0.431,0.7,1.0,0.005208690288534028,0.16915393050510588,0.1734887944623398,0.1667808923308889,0.12865807689671716
EOS-2-07553,CCn1cc(-c2cncc3nnc(-c4cnc(-c5c[nH]nn5)nc4)n23)c(-c2ccc(F)cc2)n1,DFOURPKKXBUIIS-UHFFFAOYSA-N,2,1,0.31,50,151,453.445,3.056,6,0.422,0.53,1.0,0.09612946336782949,0.2140189157699952,0.16060413953807143,0.21482420670276198,0.1713941813446645
EOS-2-07554,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cn(C)nn6)cc5F)n34)nc2)cn1,PEPMPPCOJIBCHT-UHFFFAOYSA-N,2,1,0.301,86,968,453.445,2.583,6,0.4,0.65,1.0,0.0840415324515112,0.19511171269960934,0.2751010897128367,0.26771640052086904,0.20549268384620656
EOS-2-07555,Cn1c(CF)nc(-c2cccnn2)c1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,VIOJNJRTHYTZHN-UHFFFAOYSA-N,2,1,0.276,98,882,453.445,2.903,6,0.422,0.68,0.912,0.1797426495785073,0.1537677335343705,0.07204783770817627,0.10523610444794737,0.12769858131725037
EOS-2-07556,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nc[nH]n6)cc5F)n34)cc2)n(C)n1,AXGPYXGSLJQIFO-UHFFFAOYSA-N,2,1,0.329,98,882,453.445,2.881,6,0.431,0.6,1.0,0.19942944280720992,0.2342197244876979,0.16684086080460558,0.17493660475635667,0.1938566582139675
EOS-2-07557,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)nn1,VKRXVRZOAMJYRP-UHFFFAOYSA-N,2,1,0.329,98,765,453.445,2.583,6,0.4,0.7,1.0,0.1217017339455829,0.20915290247412788,0.235144952367898,0.2524929751216503,0.20462314097731477
EOS-2-07558,Cn1cc(-c2cnc(F)c(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c2)nn1,SFZDHBVEOYZLIM-UHFFFAOYSA-N,2,1,0.322,86,812,453.445,2.583,6,0.374,0.65,0.991,0.10605852923034748,0.17365156603385648,0.22086388869851278,0.20577753409636076,0.1765878795147694
EOS-2-07559,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)cn5)n34)c(F)c2)n[nH]1,AOAPSVMEMZTYMQ-UHFFFAOYSA-N,2,1,0.299,98,314,453.445,2.881,6,0.431,0.62,0.966,0.19382667397710918,0.3165307381262422,0.2351535192927147,0.220187101637996,0.24142450825851552
EOS-2-07560,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)cc1,MGFMEPSPEHFTLU-UHFFFAOYSA-N,2,1,0.544,27,676,453.449,5.513,5,0.351,0.82,1.0,0.8333733123158111,0.7110718936330614,0.9868069357823316,0.9662463162223288,0.8743746144883833
EOS-2-07561,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3csnc3-c3ccccc3)n12,PNEHOYYEYWOTLB-UHFFFAOYSA-N,2,1,0.5,1,709,453.449,5.571,5,0.336,0.67,1.0,0.7940339935576726,0.8568038516893975,0.9316445068878075,0.9229919128229731,0.8763685662394627
EOS-2-07562,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)s5)n34)cc2F)ccn1,ARLOSZDFIPGTTQ-UHFFFAOYSA-N,2,1,0.548,4,71,453.449,5.22,5,0.365,0.59,1.0,0.8476543759851963,0.8770646288808169,0.9346857651977246,0.9111609896511548,0.8926414399287232
EOS-2-07563,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccncc4-c4cccs4)n23)cc1,ZGYVVYNNLUWHLG-UHFFFAOYSA-N,2,1,0.518,97,676,453.449,5.513,5,0.351,0.79,1.0,0.9744277294222465,0.8822304845452676,0.9852905900897814,0.9636591049276951,0.9514019772462478
EOS-2-07564,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cc1,WGMGBSZNGFBATG-UHFFFAOYSA-N,2,1,0.592,1,138,453.449,5.513,5,0.351,0.83,1.0,0.9696216846000959,0.8716160646974163,0.9879120690836817,0.9687221574943459,0.9494679939688848
EOS-2-07565,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnsc5)cc4)n23)cc1,DAEYVCFXYDQSKI-UHFFFAOYSA-N,2,1,0.608,1,138,453.449,5.513,5,0.351,0.76,1.0,0.9421989582619423,0.7823829758070043,0.990199438009732,0.9756956342951134,0.922619251593448
EOS-2-07567,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCCc4cccc(Oc5ccccc5)c4)n23)cc1,GYKZEHOVKHTVOM-UHFFFAOYSA-N,2,1,0.8,79,590,453.458,5.113,5,0.237,0.79,1.0,0.9696302515249127,0.5703258858200261,0.642382290453019,0.42421698307175654,0.6516388527174285
EOS-2-07568,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)s1,ZFNOLJMUWGXWIY-UHFFFAOYSA-N,2,1,0.391,21,810,446.539,5.952,6,0.335,0.75,1.0,0.12462305530806661,0.18640771708587486,0.6004300596257968,0.64991261736687,0.39034336234665207
EOS-2-07569,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccns6)cc5)n34)cn2)cc1,SOBJUNGEAUTQPI-UHFFFAOYSA-N,2,1,0.333,69,958,446.539,5.952,6,0.335,0.78,1.0,0.08879617572476184,0.1498269481187033,0.7439431841546159,0.742058460694949,0.4311561921732575
EOS-2-07570,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccns6)cc5)n34)cc2)n1,BOXSMZWJJBRFHO-UHFFFAOYSA-N,2,1,0.322,69,958,446.539,5.952,6,0.335,0.71,1.0,0.10851723665273114,0.13128812281543417,0.7180625042834624,0.7041326845315605,0.415500137070797
EOS-2-07571,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)n1,KRBBOSNGAMAYAM-UHFFFAOYSA-N,2,1,0.318,32,126,446.539,5.952,6,0.335,0.74,1.0,0.09613803029264616,0.17366013295867316,0.6034027825371805,0.5904752929888287,0.36591905969433214
EOS-2-07572,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)s2)n1,WMMLLOGHPLEJFE-UHFFFAOYSA-N,2,1,0.321,30,93,446.539,5.952,6,0.335,0.75,0.993,0.08880474264957851,0.17366869988348982,0.5648687547118086,0.5780875197039271,0.35135742923720104
EOS-2-07573,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5csc(-c6ccccc6)n5)n34)cc2)n1,RXCLYZFAPNJNKM-UHFFFAOYSA-N,2,1,0.362,93,93,446.539,5.952,6,0.335,0.76,1.0,0.06961483106024262,0.1458947296278528,0.5551195942704407,0.5653827702008087,0.3340029812898362
EOS-2-07574,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)nn1,QJLGVUOXSXJTNX-UHFFFAOYSA-N,2,1,0.373,93,651,446.539,5.952,6,0.335,0.74,1.0,0.16857994654238914,0.21402748269481187,0.6034113494619971,0.6412428894524022,0.4068154170379001
EOS-2-07575,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)n1,HCVHNURKGSCRRV-UHFFFAOYSA-N,2,1,0.337,69,898,446.539,5.952,6,0.335,0.7,1.0,0.08189123432252758,0.15377630045918717,0.7180710712082791,0.6960198067301762,0.41243960318004247
EOS-2-07576,Cc1csc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)n1,OOUJCPMGWRQMPZ-UHFFFAOYSA-N,2,1,0.379,93,651,446.539,5.952,6,0.335,0.76,1.0,0.12171030087039957,0.20916146939894456,0.5037180453704339,0.552249674456857,0.34670987252415875
EOS-2-07577,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cc2)cn1,MITQNIYDZLRTKZ-UHFFFAOYSA-N,2,1,0.33,69,818,446.539,5.952,6,0.335,0.81,1.0,0.09841683229387979,0.14590329655266945,0.7601518059077513,0.7394198478514152,0.43597294565142897
EOS-2-07578,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cc5)n34)cc2)n1,VBHJNXBVZWIPKF-UHFFFAOYSA-N,2,1,0.333,69,898,446.539,5.952,6,0.335,0.72,1.0,0.14384723459666918,0.18641628401069152,0.7001918991158934,0.6960283736549928,0.43162094784456173
EOS-2-07579,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)s1,QCDSIMWMYMVVOY-UHFFFAOYSA-N,2,1,0.368,93,651,446.539,5.952,6,0.335,0.81,1.0,0.10606709615516415,0.16916249742992256,0.5906123637858954,0.617700980056199,0.3708857343567953
EOS-2-07580,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)s1,ORQRFDQRILOLQG-UHFFFAOYSA-N,2,1,0.373,21,810,446.539,5.952,6,0.335,0.75,1.0,0.10360838873278048,0.17792646151737374,0.5842985401960112,0.6439329038448358,0.3774415735727503
EOS-2-07581,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cc5)n34)cc2)n1,QUWUZBIIYXVNTL-UHFFFAOYSA-N,2,1,0.337,69,898,446.539,5.952,6,0.335,0.8,1.0,0.06755876910424234,0.14983551504351997,0.6731032828455897,0.6439414707696526,0.38360975944075115
EOS-2-07582,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)s1,ZDEZOOHYBRMNRI-UHFFFAOYSA-N,2,1,0.318,93,651,446.539,5.952,6,0.335,0.72,1.0,0.04415393050510589,0.12452881913508328,0.39721403604961963,0.5160201494071688,0.27047923377424443
EOS-2-07583,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)cc2)s1,RRZHXVGSYCBKIV-UHFFFAOYSA-N,2,1,0.318,69,220,446.539,5.952,6,0.335,0.71,1.0,0.05328627235967377,0.12453738605989993,0.5749091905969433,0.5994020286477966,0.3380337194160784
EOS-2-07584,c1ccc(Oc2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)cc1,SPYPNWGLBZPTDN-UHFFFAOYSA-N,2,1,0.415,21,452,446.535,6.979,6,0.287,0.72,1.0,0.22704920841614695,0.2243163593996299,0.8309745733671441,0.8469004866013295,0.5323101569460627
EOS-2-07585,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc(-c4csnn4)nn3)n12,SOUNWSDHUOXTLO-UHFFFAOYSA-N,2,1,0.351,3,541,453.466,3.968,6,0.395,0.73,1.0,0.09138338701939552,0.28043828387362074,0.3860427660886848,0.47747755465698033,0.30883549790967035
EOS-2-07586,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)n(C)n1,XPHCUYPGIBJYJS-UHFFFAOYSA-N,2,1,0.344,67,789,453.466,3.856,6,0.374,0.61,1.0,0.28620382427523816,0.21909053526146255,0.11603899664176547,0.11214961277499828,0.1833707422383661
EOS-2-07587,Fc1ncc(-c2nccs2)cc1-c1cncc2nnc(-c3ccc(-c4cncnc4)nc3)n12,NDINCSOEUNETKX-UHFFFAOYSA-N,2,1,0.318,94,165,453.466,3.968,6,0.369,0.72,0.952,0.18262970324172434,0.34556404632992943,0.4586131862106778,0.4590415324515112,0.3614621170584607
EOS-2-07588,Fc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)nc2)n1,GVRANLSVXZGRSJ-UHFFFAOYSA-N,2,1,0.304,38,787,453.466,3.968,6,0.369,0.68,1.0,0.11089027482694812,0.24488554588444933,0.46562949763552874,0.4651668836954287,0.3216430505105887
EOS-2-07589,Fc1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cn5)n34)cc2)n1,QZBCLVAVENYYIK-UHFFFAOYSA-N,2,1,0.286,38,339,453.466,3.968,6,0.395,0.66,1.0,0.13835583578918512,0.28580117880885475,0.3897436776094853,0.4213042286340895,0.3088012302104037
EOS-2-07590,COc1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cn4)n23)cc1-c1ncnn1C,ULHGZWDRYDMWQI-UHFFFAOYSA-N,2,1,0.543,15,771,453.466,2.484,5,0.365,0.66,0.968,0.39914159413336986,0.28580974573367146,0.28610102117743813,0.18879788910972517,0.2899625625385511
EOS-2-07591,COCCn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(C#N)c5)n34)cn2)c1,PUDUOLAXMWFXKS-UHFFFAOYSA-N,2,1,0.423,55,823,453.466,2.542,5,0.348,0.72,0.999,0.41001302172572135,0.20917003632376122,0.3560242615310808,0.2646151737372353,0.3099556233294497
EOS-2-07592,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)s2)n1,QSYZDIMAHIOUIF-UHFFFAOYSA-N,2,1,0.333,32,541,453.466,3.968,6,0.369,0.75,0.915,0.16314851620862175,0.3062247275717908,0.22793160167226373,0.3130868343499417,0.2525979199506545
EOS-2-07593,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1ccnn1CC#N,RHKCQZOUULDKHE-UHFFFAOYSA-N,2,1,0.484,15,361,453.466,2.598,5,0.348,0.67,1.0,0.4491810019875266,0.2294822150640806,0.31897231169899254,0.2201956685628127,0.3044577993283531
EOS-2-07594,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n(C)n1,DPRBZXHIKJHFCW-UHFFFAOYSA-N,2,1,0.4,67,415,453.47,2.289,6,0.407,0.56,1.0,0.39915016105818657,0.33067473099856076,0.08070043177301076,0.06910938249605922,0.21990867658145435
EOS-2-07595,Cn1cc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n(C)n2)cn1,BKEVVCMKVOMOQC-UHFFFAOYSA-N,2,1,0.398,67,789,453.47,2.513,6,0.391,0.67,1.0,0.1967222945651429,0.16523027893907202,0.13012302104036735,0.0786957713659105,0.14269284147762318
EOS-2-07596,Cc1cc(-c2ncn(C)n2)ncc1-c1nnc2cncc(-c3cc(-c4cnnn4C)nn3C)n12,ORSBQIROXIDXKC-UHFFFAOYSA-N,2,1,0.256,99,286,453.474,1.486,6,0.389,0.54,0.999,0.02690014392433692,0.05698718388047427,0.015660338564868755,0.009020971831951203,0.027142159550407788
EOS-2-07597,CC(=O)c1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)c(F)c1,GXHLAWUHGHRHQX-UHFFFAOYSA-N,2,1,0.662,91,660,453.477,4.817,5,0.329,0.74,1.0,0.8051709958193407,0.6965081214447262,0.7625419779316017,0.6787317524501405,0.7357382119114523
EOS-2-07598,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(F)c5)n34)nn2C)s1,IVLHKSNVEMCWGV-UHFFFAOYSA-N,2,1,0.511,95,998,453.478,3.856,5,0.388,0.6,1.0,0.34714892742101294,0.2754609005551367,0.414767664998972,0.42131279555890616,0.36467257213350696
EOS-2-07599,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccccc4C#N)n23)ccc1F,ADYBHZPZGGMCRM-UHFFFAOYSA-N,2,1,0.598,91,309,453.481,4.133,5,0.384,0.78,0.994,0.6812332944966075,0.7567507367555343,0.7740730587348366,0.7099667603317114,0.7305059625796725
EOS-2-07600,Cc1c(-c2nnc3cncc(-c4ccc(-c5nccn5C)cc4)n23)c(-c2ccccc2)nn1C,HLIGRURMANQDMI-UHFFFAOYSA-N,2,1,0.338,9,98,446.518,4.568,6,0.396,0.73,1.0,0.03290555822082106,0.02470701117126996,0.2423840038379823,0.2677249674456857,0.14193038516893974
EOS-2-07601,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cc2)n1C,CTZYUCPNYJBNNT-UHFFFAOYSA-N,2,1,0.353,9,98,446.518,4.568,6,0.396,0.7,1.0,0.2078250291275444,0.056995750805290936,0.4830289219381811,0.404787197587554,0.2881592248646426
EOS-2-07602,c1ccc(COCCn2cc(-c3cncc4nnc(-c5cccc6ccccc56)n34)cn2)cc1,IHEOVLVYDUKLAL-UHFFFAOYSA-N,2,1,0.35,79,824,446.514,5.025,6,0.322,0.79,1.0,0.06391782605715852,0.0607823315742581,0.6034199163868138,0.6698050167911727,0.34948127270235074
EOS-2-07603,c1ncc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)cn2)o1,YVPRHGRBBVLWEN-UHFFFAOYSA-N,2,1,0.512,40,78,453.487,4.544,6,0.362,0.65,1.0,0.7021023233500103,0.49210986224384895,0.43707593722157495,0.40479576451237065,0.5090209718319512
EOS-2-07604,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccsc6)c5)n34)cn2)o1,FFXONYBKOKKCQD-UHFFFAOYSA-N,2,1,0.476,80,200,453.487,4.544,6,0.362,0.65,1.0,0.4853676924131314,0.38381536563635116,0.5312692755808375,0.47148927421012954,0.4679854019601124
EOS-2-07605,c1cc(-c2nccs2)cc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cn4)n23)c1,XEYHCBKQFLBGSQ-UHFFFAOYSA-N,2,1,0.568,28,120,453.487,4.544,6,0.362,0.7,1.0,0.3278219450346104,0.3599564800219313,0.41106675347817145,0.357360701802481,0.3640514700842985
EOS-2-07606,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)s5)n34)o2)cc1,RCEWXNGXQOUDHX-UHFFFAOYSA-N,2,1,0.354,94,170,453.487,4.64,6,0.372,0.65,0.984,0.11382016311424852,0.06846686313480913,0.41850284421903916,0.3640000685353985,0.24119748475087383
EOS-2-07607,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)cc2)o1,CXNMJLIDAOGCPC-UHFFFAOYSA-N,2,1,0.531,77,323,453.487,4.544,6,0.362,0.64,1.0,0.6075748749228976,0.45674559660064423,0.5483174559660065,0.4804074429442807,0.5232613426084572
EOS-2-07608,c1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cccs6)n5)n34)cn2)cc1,WZERLRXIJZJARV-UHFFFAOYSA-N,2,1,0.416,28,363,453.487,4.544,6,0.362,0.79,1.0,0.4236087314097731,0.4435096977588925,0.18951751079432527,0.22297991912822973,0.31990396477280514
EOS-2-07609,COc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)cc2)s1,OMPKFLXKYYNAKL-UHFFFAOYSA-N,2,1,0.323,32,339,453.487,4.64,6,0.372,0.72,1.0,0.24895483517236652,0.15748577890480434,0.27875059968473714,0.2616767185251182,0.23671698307175656
EOS-2-07610,c1csc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnco6)c5)n34)cc2)n1,LITGFAABPQLIOT-UHFFFAOYSA-N,2,1,0.524,41,78,453.487,4.544,6,0.362,0.67,1.0,0.5846069494894113,0.4480844356109931,0.5144352683160852,0.43688746487560826,0.4960035295730244
EOS-2-07611,c1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)cc1,TZVJCDYOSJRBEJ-UHFFFAOYSA-N,2,1,0.489,12,857,453.487,4.544,6,0.362,0.59,1.0,0.39706839832773627,0.4169179631279556,0.23516208621753135,0.2616852854499349,0.3277084332807896
EOS-2-07612,c1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cn5)n34)cc2)o1,RWUPLQKVQDWCSV-UHFFFAOYSA-N,2,1,0.554,40,25,453.487,4.544,6,0.362,0.61,1.0,0.4516482763347269,0.42131279555890616,0.5001456377218834,0.439808786238092,0.4532288739634021
EOS-2-07613,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)cc2)on1,GPBZQPRPXQXVPN-UHFFFAOYSA-N,2,1,0.5,40,25,453.487,4.544,6,0.362,0.61,1.0,0.4703070385854294,0.44809300253580975,0.4408282502912754,0.40825680213830445,0.44187127338770477
EOS-2-07614,c1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)s2)cc1,GQSTVZZLZUVKHT-UHFFFAOYSA-N,2,1,0.543,12,285,453.487,4.544,6,0.362,0.66,1.0,0.5489771091768899,0.41222328832842164,0.31148481940922484,0.29725515728873964,0.392485093550819
EOS-2-07615,c1ccc(-c2noc(-c3ccc(-c4nnc5cncc(OCc6cncs6)n45)cc3)n2)cc1,AKNRRIRRLOGYLB-UHFFFAOYSA-N,2,1,0.53,12,285,453.487,4.544,6,0.362,0.72,1.0,0.5732386402576931,0.4612175313549448,0.31528853402782536,0.2941796312795559,0.4109810842300048
EOS-2-07616,COc1cc(-c2nnsn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,BNDLRCJQJVZJLW-UHFFFAOYSA-N,2,1,0.35,9,98,453.487,4.64,6,0.372,0.68,1.0,0.1631570831334384,0.07577445000342677,0.48303748886299774,0.44942087588239327,0.29284747447056403
EOS-2-07617,c1ccc(-c2ncoc2COc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)cc1,TXHJBJDQQMKTRC-UHFFFAOYSA-N,2,1,0.494,77,323,453.487,4.544,6,0.362,0.61,1.0,0.43065074360907407,0.3455726132547461,0.3671526968679323,0.3703652936741827,0.3784353368514838
EOS-2-07618,COc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cc2)o1,DNNQAFNBJXUBIG-UHFFFAOYSA-N,2,1,0.346,69,98,453.487,4.64,6,0.372,0.66,1.0,0.3991587279830032,0.3306832979233774,0.39340175450620246,0.33503529573024465,0.364569769035707
EOS-2-07619,c1csc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)c1,HGLJEUJKNNQDJD-UHFFFAOYSA-N,2,1,0.547,81,117,453.487,4.544,6,0.362,0.71,1.0,0.5052772256870673,0.47883112877801387,0.4553406209307107,0.4019087108491536,0.4603394215612364
EOS-2-07620,c1cc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)nc(-c2cocn2)c1,YZJJFDRAZROATR-UHFFFAOYSA-N,2,1,0.541,28,120,453.487,4.544,6,0.362,0.6,1.0,0.410021588650538,0.43928620382427525,0.4260674388321568,0.37384346514974987,0.4123046741141799
EOS-2-07621,OCc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)no1,QOHGKKOEZLSYQW-UHFFFAOYSA-N,2,1,0.315,38,126,453.487,4.124,6,0.414,0.76,1.0,0.14385580152148586,0.24489411280926598,0.22417928860256323,0.26773353437050235,0.22016568432595435
EOS-2-07622,c1ccc(-c2cnsc2COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,LDIVEOLYPUMKSJ-UHFFFAOYSA-N,2,1,0.5,77,323,453.487,4.544,6,0.362,0.59,1.0,0.5410784044959221,0.3979250908094031,0.3823675553423343,0.3831642793502844,0.426133832499486
EOS-2-07623,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cncs6)no5)n34)cc2)nc1,VMEBKDJHVFSEMJ-UHFFFAOYSA-N,2,1,0.506,41,120,453.487,4.544,6,0.362,0.66,1.0,0.5027242820917004,0.4567541635254609,0.3934103214310191,0.3674011376876157,0.430072476183949
EOS-2-07624,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)s5)n34)cc2)nc1,WIJWDHPKNOGJIZ-UHFFFAOYSA-N,2,1,0.547,28,120,453.487,4.544,6,0.362,0.73,1.0,0.5285878281132205,0.5061424850935509,0.34855390309094647,0.33504386265506136,0.42958201973819476
EOS-2-07625,c1ccc(-c2nnco2)c(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1,WSPHNJFCUPFADD-UHFFFAOYSA-N,2,1,0.506,77,190,453.487,4.544,6,0.362,0.62,1.0,0.5934051812761291,0.45676273045027754,0.48665273113563157,0.4464053183469262,0.4958064903022411
EOS-2-07626,c1coc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6cnccn6)n5)n34)cc2)c1,VVBHZFWLPVMSGL-UHFFFAOYSA-N,2,1,0.523,40,120,453.487,4.544,6,0.362,0.68,1.0,0.41216331985470495,0.4481015694606264,0.31149338633404156,0.3035432801041738,0.3688253889383866
EOS-2-07627,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnsc6)cn5)n34)cc2)o1,AFAKUNHYUVBGGT-UHFFFAOYSA-N,2,1,0.613,41,592,453.487,4.544,6,0.362,0.54,1.0,0.42611027345624014,0.4073572750325543,0.5614077170858749,0.48648995956411484,0.470341306284696
EOS-2-07628,c1coc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cscn6)c5)n34)cc2)c1,LHYIIMRCPKRUOV-UHFFFAOYSA-N,2,1,0.494,81,120,453.487,4.544,6,0.362,0.65,1.0,0.5758858200260435,0.45677129737509425,0.45862175313549447,0.43386334041532454,0.4812855527379891
EOS-2-07629,c1cnc(-c2ccc(-c3nnc4cncc(OCc5csnc5-c5ccoc5)n34)cc2)nc1,JIPFNCKYSHXVJD-UHFFFAOYSA-N,2,1,0.488,40,78,453.487,4.544,6,0.362,0.58,1.0,0.5540487286683572,0.4122318552532383,0.3596994722774313,0.3283959289973271,0.4135939962990885
EOS-2-07630,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,URCNGXCFVXRKQI-UHFFFAOYSA-N,2,1,0.35,69,152,453.487,4.64,6,0.372,0.68,1.0,0.322647522445343,0.1652388458638887,0.5281166472483038,0.4368960318004249,0.3632247618394901
EOS-2-07631,c1csc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)cn5)n34)cc2)n1,CFPQSLADOXNJJH-UHFFFAOYSA-N,2,1,0.595,40,120,453.487,4.544,6,0.362,0.66,1.0,0.41908539510657256,0.452316496470427,0.4370845041463916,0.36740970461243233,0.41897402508395587
EOS-2-07632,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,NPSVPFDNHWTYBS-UHFFFAOYSA-N,2,1,0.354,9,38,453.487,4.64,6,0.372,0.64,1.0,0.339927009800562,0.1819786169556576,0.5414382153382222,0.4494294428072099,0.37819332122541294
EOS-2-07633,c1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)cn2)o1,HZPAWGVKOOSFAE-UHFFFAOYSA-N,2,1,0.536,40,2,453.487,4.544,6,0.362,0.63,1.0,0.6075834418477143,0.40282537180453704,0.47955931738743063,0.4430556507436091,0.48325594544582273
EOS-2-07634,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)o2)nc1,WVUFFXDFQXNQHY-UHFFFAOYSA-N,2,1,0.517,28,120,453.487,4.544,6,0.362,0.64,1.0,0.5203207456651361,0.5242700980056199,0.39341888835583577,0.33821362483722844,0.44405583921595504
EOS-2-07635,CCc1nc(-c2nnc3cncc(OCCc4cccs4)n23)ccc1-c1ccnc(F)c1,XHDMOXQSVLGOCZ-UHFFFAOYSA-N,2,1,0.516,49,367,446.511,4.633,5,0.339,0.7,0.919,0.6872215749434583,0.7110804605578781,0.3860513330135015,0.3703738605989994,0.5386818072784593
EOS-2-07636,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccsc6)nn5)n34)cc2)n[nH]1,PARPDWHSBURGOM-UHFFFAOYSA-N,2,1,0.438,56,763,453.491,3.674,6,0.406,0.63,1.0,0.47031560551024604,0.46542389143992874,0.22418785552737988,0.22923377424439723,0.347290281680488
EOS-2-07637,c1csc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)n1,CEXRUUFWZAPKRX-UHFFFAOYSA-N,2,1,0.462,40,763,453.491,3.674,6,0.406,0.65,1.0,0.6504437667055034,0.5564817353162909,0.2104550750462614,0.19153073812624222,0.40222782879857455
EOS-2-07638,COc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)s3)n12,YNPIJPGGLPQNTI-UHFFFAOYSA-N,2,1,0.304,76,272,453.491,3.771,6,0.419,0.71,1.0,0.17975121650332396,0.16134089507230484,0.2564851620862175,0.23790350215886505,0.20887019395517784
EOS-2-07639,c1csc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)c1,HPKHJJHXRDCBEE-UHFFFAOYSA-N,2,1,0.406,81,763,453.491,3.674,6,0.406,0.69,1.0,0.561870331025975,0.5564903022411075,0.18952607771914193,0.20578610102117745,0.3784182030018504
EOS-2-07640,c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccsc6)cn5)n34)cc2)n[nH]1,GRLBYEIFOAZXRG-UHFFFAOYSA-N,2,1,0.437,56,518,453.491,3.674,6,0.406,0.68,1.0,0.5358954149818381,0.4350027414159413,0.27510965663765335,0.24650469467479955,0.3731281269275581
EOS-2-07641,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)nc2)c1,LHCWPYXBKKJSEJ-UHFFFAOYSA-N,2,1,0.511,81,932,453.491,3.47,6,0.377,0.61,1.0,0.2917894592557056,0.2754694674799534,0.27875916660955385,0.234990747721198,0.27025221026660273
EOS-2-07642,COc1nnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)s1,BEMCNWSZRCFSKP-UHFFFAOYSA-N,2,1,0.365,3,39,453.491,3.566,6,0.39,0.66,1.0,0.10090980741553011,0.1245459529847166,0.12189020629154959,0.1257710232335001,0.1182792474813241
EOS-2-07643,c1cn(-c2ccc(COc3cncc4nnc(-c5ccnc(-c6cncs6)c5)n34)nc2)cn1,DMIVZCCMNVJBHY-UHFFFAOYSA-N,2,1,0.489,80,597,453.491,3.47,6,0.377,0.63,1.0,0.2621393324652183,0.24979439380439997,0.32986087314097734,0.26462374066205196,0.2766045850181619
EOS-2-07644,Cn1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)n[nH]c1=O,XHKHKMXAMCRWFE-UHFFFAOYSA-N,2,1,0.3,9,98,453.491,3.066,6,0.436,0.67,1.0,0.13312144472620108,0.10844013432938113,0.1963453498732095,0.2407648550476321,0.16966794599410595
EOS-2-07645,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cn5)n34)s2)nc1,SCJDRJVLCCSTQD-UHFFFAOYSA-N,2,1,0.406,6,414,453.491,3.674,6,0.406,0.56,0.953,0.4729713522034131,0.4699472277431293,0.19291857994654238,0.172323692687273,0.32704021314508946
EOS-2-07646,c1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)cn2)s1,BBISURGSOZDUKJ-UHFFFAOYSA-N,2,1,0.5,81,2,453.491,3.674,6,0.406,0.59,1.0,0.5934137482009458,0.5061510520183675,0.359708039202248,0.32840449592214377,0.4469193338359263
EOS-2-07647,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccs5)nc4)n23)cc1,UIUKNEJVVQDBOW-UHFFFAOYSA-N,2,1,0.457,67,622,453.491,3.898,6,0.387,0.7,1.0,0.3884158042629018,0.35505619902679736,0.20698547049551094,0.1806678774587074,0.28278133781097936
EOS-2-07648,c1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nn2)cn1,FGGGIEQRNYZTDZ-UHFFFAOYSA-N,2,1,0.473,40,932,453.491,3.47,6,0.377,0.61,1.0,0.3202316496470427,0.3011274073058735,0.23168391474196423,0.1969021999862929,0.26248629292029335
EOS-2-07649,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,AKZHQPBFWJHTLA-UHFFFAOYSA-N,2,1,0.318,32,154,453.491,3.771,6,0.419,0.65,1.0,0.24080768967171545,0.13480056199026796,0.32257898704680965,0.25571413885271743,0.23847534439037762
EOS-2-07650,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)nc5)n34)cc2)n[nH]1,ALARESHOVNZSTD-UHFFFAOYSA-N,2,1,0.5,81,763,453.491,3.674,6,0.406,0.64,1.0,0.5285963950380371,0.4028339387293537,0.3485624700157631,0.3190579809471592,0.39976269618257826
EOS-2-07651,c1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccsc6)n5)n34)cc2)n[nH]1,YKLJCDKZSUVDBE-UHFFFAOYSA-N,2,1,0.436,56,425,453.491,3.674,6,0.406,0.72,1.0,0.44918956891234324,0.40736584195737097,0.2787677335343705,0.252501542046467,0.3469561716126379
EOS-2-07652,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)nc2)n[nH]1,IRPUOOJJKSWQHJ-UHFFFAOYSA-N,2,1,0.389,6,826,453.491,3.674,6,0.406,0.62,0.964,0.36077890480433145,0.34558118017956274,0.24581077376464944,0.2292423411692139,0.2953532999794394
EOS-2-07653,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cc2)n[nH]1,YFUMLDRYRTWZKD-UHFFFAOYSA-N,2,1,0.534,40,425,453.491,3.674,6,0.406,0.65,1.0,0.43745288191350834,0.4392947707490919,0.32621136316907684,0.2732420670276198,0.3690502707148242
EOS-2-07654,c1cnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)cs2)nc1,ACVQMPSGHCJZTO-UHFFFAOYSA-N,2,1,0.469,40,25,453.491,3.674,6,0.406,0.56,1.0,0.45165684325954353,0.4921184291686656,0.1863648824617915,0.18339215955040777,0.32838307861010213
EOS-2-07655,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)nc5)n34)cn2)n[nH]1,PCMMOLCUARWLBA-UHFFFAOYSA-N,2,1,0.472,6,297,453.491,3.674,6,0.406,0.61,1.0,0.49505688438078266,0.44811013638544306,0.3004420533205401,0.24943458296209992,0.3732609142622164
EOS-2-07656,c1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncs6)n5)n34)cc2)n[nH]1,HEMMITRCLBGDQQ-UHFFFAOYSA-N,2,1,0.427,40,763,453.491,3.674,6,0.406,0.62,1.0,0.4606092796929614,0.4972328832842163,0.28969056267562193,0.2704321156877527,0.37949121033513805
EOS-2-07657,c1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccsc6)nn5)n34)cc2)n[nH]1,WRRBEKFSFARQHU-UHFFFAOYSA-N,2,1,0.409,56,763,453.491,3.674,6,0.406,0.62,1.0,0.5286049619628538,0.469955794667946,0.22794016859708038,0.24077342197244878,0.3668185868000823
EOS-2-07658,c1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)nc1,BUXGKZBIYQGESE-UHFFFAOYSA-N,2,1,0.478,40,425,453.491,3.674,6,0.406,0.66,1.0,0.5591803166335412,0.44811870331025977,0.1767099581934069,0.16419368103625523,0.33705066479336576
EOS-2-07659,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)nc1,KXWCINYLXOGFLM-UHFFFAOYSA-N,2,1,0.398,67,622,453.491,3.898,6,0.387,0.61,1.0,0.33285929682681104,0.2702607771914194,0.3077239394147077,0.24078198889726543,0.28790650058255085
EOS-2-07660,c1csc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,FDZYSWRSNWUBQK-UHFFFAOYSA-N,2,1,0.409,56,425,453.491,3.674,6,0.406,0.68,1.0,0.5787300390651772,0.515034953053252,0.19292714687135906,0.17768658762250703,0.36609468165307385
EOS-2-07661,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cscn6)cn5)n34)cc2)n[nH]1,CQSZILDVWXTRRM-UHFFFAOYSA-N,2,1,0.462,40,763,453.491,3.674,6,0.406,0.64,1.0,0.4703241724350627,0.46996436159276267,0.28610958810225484,0.2585412240422178,0.3712348365430745
EOS-2-07662,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)n[nH]2)nc1,AQOSPHYTSPFXEF-UHFFFAOYSA-N,2,1,0.43,6,297,453.491,3.674,6,0.406,0.67,1.0,0.3861712699609348,0.3930333767390857,0.11889178260571585,0.13438934959906793,0.2581214447262011
EOS-2-07663,c1csc(-c2ncnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)c1,NUWDFMMBYQWUFQ-UHFFFAOYSA-N,2,1,0.396,40,763,453.491,3.674,6,0.406,0.68,1.0,0.5934223151257625,0.5564988691659242,0.17003632376122269,0.16956514289630595,0.37238066273730386
EOS-2-07664,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cn(C)nn6)cnn5)n34)cc2)s1,CNMJRFXLDXNUFX-UHFFFAOYSA-N,2,1,0.279,98,63,453.495,2.871,6,0.396,0.58,1.0,0.0076845315605510245,0.038448358577205126,0.07205640463299294,0.07487492289767665,0.048266054417106435
EOS-2-07665,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)cc1,DRNNHXKOVDYBKU-UHFFFAOYSA-N,2,1,0.397,38,834,446.499,4.844,6,0.415,0.72,1.0,0.19127373038174217,0.3455897471043794,0.7077736275786444,0.7180282365841958,0.4906663354122405
EOS-2-07666,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)s5)n34)nc2)o1,PKFLDNFMLJNIMK-UHFFFAOYSA-N,2,1,0.316,32,126,453.502,6.289,6,0.314,0.79,1.0,0.23236070180248097,0.3930419436639024,0.7984031252141731,0.8066188061133576,0.5576061441984785
EOS-2-07667,Fc1ccc2sc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2c1,DPPCXAQZKZJKIG-UHFFFAOYSA-N,2,1,0.523,12,285,453.502,5.786,6,0.331,0.83,1.0,0.8333818792406278,0.8506870673702968,0.7362672195188815,0.7958587485436228,0.8040487286683573
EOS-2-07668,COc1nc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)ccc1-c1csc(C)n1,GOIIPYSSKUMHED-UHFFFAOYSA-N,2,1,0.396,49,690,446.496,3.304,5,0.387,0.59,1.0,0.2489634020971832,0.14222808580631896,0.07206497155780961,0.0260006168185868,0.12231426906997464
EOS-2-07669,Fc1ccc(-n2nnnc2-c2cncc3nnc(-c4ccc(-c5cccs5)s4)n23)cc1,XYTIKSAXTMLOKR-UHFFFAOYSA-N,2,1,0.31,76,272,446.496,4.363,6,0.4,0.63,1.0,0.012541977931601672,0.08614899595641148,0.22087245562332944,0.38982934685765197,0.17734819409224864
EOS-2-07670,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)ccn2)s1,UYXNBNJSFMNOTH-UHFFFAOYSA-N,2,1,0.477,4,43,446.496,3.134,5,0.372,0.65,1.0,0.29725515728873964,0.2091786032485779,0.08801658556644507,0.05354328010417381,0.1619984065519841
EOS-2-07671,COc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(C)s5)nc4)n23)n1,XAELPNYTNMPKDF-UHFFFAOYSA-N,2,1,0.473,87,579,446.496,3.038,5,0.372,0.57,1.0,0.4398002193132753,0.4256647933657734,0.05783530943732438,0.025109656637653348,0.23710249468850658
EOS-2-07672,Fc1cc(-c2ncc[nH]2)ccc1-c1nnc2cncc(-c3ccc(-c4csnn4)s3)n12,CKKUTLUJKIAYGK-UHFFFAOYSA-N,2,1,0.313,76,653,446.496,4.568,6,0.426,0.65,0.767,0.1631656500582551,0.32152525529435955,0.44083681721609214,0.5089438695086012,0.358617898019327
EOS-2-07673,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)s5)n34)cc2)c1,QEZWUQZESFETMK-UHFFFAOYSA-N,2,1,0.358,93,651,446.495,5.713,6,0.344,0.75,1.0,0.32783051195942703,0.3645654855732986,0.8376225070248784,0.8431824412308958,0.5933002364471249
EOS-2-07674,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)s1,XNJHQCBMHOHGCS-UHFFFAOYSA-N,2,1,0.33,30,668,453.506,5.215,6,0.366,0.73,0.999,6.853539853334247e-05,0.07233054622712631,0.43709307107120826,0.5458501816188062,0.2638355835789185
EOS-2-07675,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c1-c1ccc(F)cc1,NLKLIKRQWKQCKW-UHFFFAOYSA-N,2,1,0.387,69,625,453.506,5.121,6,0.37,0.75,1.0,0.1085258035775478,0.2911640737440888,0.6454406826125694,0.6757161949146734,0.4302116887122198
EOS-2-07676,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4F)n23)cc1,VRPSDLKOUSOFIC-UHFFFAOYSA-N,2,1,0.329,9,642,453.506,5.121,6,0.37,0.65,1.0,0.2565536974847509,0.4028425056541704,0.667577616338839,0.7069769035706943,0.5084876807621137
EOS-2-07677,Cc1csc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)c(F)c2)n1,FTVNRWPPTJVFEM-UHFFFAOYSA-N,2,1,0.317,30,668,453.506,5.215,6,0.366,0.73,1.0,0.015746007813035433,0.19968645055170997,0.6004386265506134,0.6119354396545816,0.35695163114248507
EOS-2-07678,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5cccc(F)n5)s4)n23)[nH]1,FFMRMYCSNNIFPE-UHFFFAOYSA-N,2,1,0.293,30,126,453.506,5.419,6,0.36,0.66,0.092,0.14643444589130286,0.1736772668083065,0.44801590021245974,0.5191299431156192,0.32181438900692205
EOS-2-07679,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)s1,YFQOEDVCWCDSFP-UHFFFAOYSA-N,2,1,0.38,3,74,453.506,5.121,6,0.37,0.7,1.0,0.19673086148995955,0.3930505105887191,0.5938849290658625,0.6787403193749572,0.4656016551298746
EOS-2-07680,Cc1cc(COc2cncc3nnc(-c4cc(-c5c(C)cc(=O)n(C)c5C)ccn4)n23)ccn1,RKAUCJLTLIGMSP-UHFFFAOYSA-N,2,1,0.385,18,544,453.506,3.451,5,0.402,0.59,1.0,0.22417072167774654,0.06487732163662532,0.3338187924062778,0.2118343499417449,0.20867529641559865
EOS-2-07681,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCCOCc5ccccc5)n34)ccn2)n1,TZOPSFJWLDXAKE-UHFFFAOYSA-N,2,1,0.489,89,770,453.506,3.937,5,0.31,0.75,1.0,0.4629223493934617,0.13480912891508465,0.22088102254814612,0.1969107669111096,0.2538808169419505
EOS-2-07682,Cn1cc(-c2csc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)n2)cn1,DOFQUAFYPSCTPY-UHFFFAOYSA-N,2,1,0.417,93,74,453.506,5.121,6,0.37,0.74,1.0,0.11667294907819889,0.36457405249811525,0.6648961688712219,0.7041412514563772,0.4625711054759783
EOS-2-07683,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cccc(-c5cccnc5)c4F)n23)s1,ZJRAAHUMEVICGH-UHFFFAOYSA-N,2,1,0.31,32,983,453.506,5.121,6,0.37,0.66,1.0,0.23540196011239806,0.3354807758207114,0.6034284833116305,0.6323332876430676,0.4516611267219519
EOS-2-07684,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cccc(F)c5)s4)n23)cc1,YCAZHWHHZUKQDD-UHFFFAOYSA-N,2,1,0.375,38,867,453.506,5.121,6,0.37,0.66,1.0,0.18263827016654102,0.3403981906654787,0.57491775752176,0.6149595641148653,0.4282284456171612
EOS-2-07685,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cc2F)n1,SWSLBYTUXFRVDM-UHFFFAOYSA-N,2,1,0.338,69,38,453.506,5.121,6,0.37,0.67,1.0,0.19128229730655882,0.33548934274552805,0.760160372832568,0.7523216366253169,0.5098134123774929
EOS-2-07686,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cc2)cs1,DZFLDGJXMXTQLB-UHFFFAOYSA-N,2,1,0.364,3,668,453.506,5.215,6,0.366,0.78,1.0,0.025597971352203413,0.20428688917826057,0.6922931944349257,0.6960369405798095,0.4045537488862998
EOS-2-07687,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)s1,ZPMDZJTUANZLSX-UHFFFAOYSA-N,2,1,0.375,32,653,453.506,5.121,6,0.37,0.69,1.0,0.10091837434034678,0.2962785278596395,0.6360513330135015,0.6640737440888219,0.4243304948255774
EOS-2-07688,Cc1csc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2F)n1,ZLCORLOSXCPHIW-UHFFFAOYSA-N,2,1,0.326,30,668,453.506,5.215,6,0.366,0.69,1.0,0.02036358028921938,0.19512027962442602,0.6034370502364471,0.614968131039682,0.3584722602974436
EOS-2-07689,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)o2)cc1,AIZUIMFHWZOCBH-UHFFFAOYSA-N,2,1,0.329,76,653,446.492,5.437,6,0.359,0.7,1.0,0.07157665684325955,0.23988246179151532,0.5682526900143924,0.6582139675142211,0.3844814440408471
EOS-2-07690,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)o2)cc1,BEYVPNALHXNSSC-UHFFFAOYSA-N,2,1,0.312,10,541,446.492,5.437,6,0.359,0.74,0.992,0.23236926872729766,0.2649664176547187,0.4516397094099102,0.5590175450620245,0.37699823521348774
EOS-2-07691,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2OC)cn1,GGGFKGLWWMHFOI-UHFFFAOYSA-N,2,1,0.488,97,103,446.492,3.906,5,0.371,0.65,1.0,0.3814937290110342,0.2804468507984374,0.462142759235145,0.26774210129531906,0.3479563600849839
EOS-2-07692,CCn1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5)n(C)n4)n23)c(C)n1,QLNHHNQRGOISBH-UHFFFAOYSA-N,2,1,0.506,95,835,446.49,3.477,5,0.38,0.74,1.0,0.20783359605236104,0.26497498457953533,0.14808786238091975,0.15114625454047015,0.19301067438832156
EOS-2-07693,CCn1cc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)c4)n23)c(C)n1,QMSSINRTROZTTN-UHFFFAOYSA-N,2,1,0.527,26,460,446.49,3.477,5,0.38,0.67,1.0,0.33993557672537866,0.36955143581659927,0.2602974436296347,0.20861318621067781,0.2945994105955726
EOS-2-07694,CN(C)Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cn2)cn1,XRVCWUUHQSTCFW-UHFFFAOYSA-N,2,1,0.449,87,282,453.51,2.721,5,0.35,0.74,1.0,0.3991672949078199,0.23989102871633197,0.11019635391679802,0.05501679117264067,0.20106786717839764
EOS-2-07695,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)c1-c1ccc(F)cc1,LMUNFQVEUIIBIP-UHFFFAOYSA-N,2,1,0.389,21,107,446.489,5.665,6,0.35,0.74,1.0,0.21057501199369474,0.3215338222191762,0.8272565279967103,0.8759851963539168,0.5588376396408745
EOS-2-07696,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)nc2)c1,BSJHNBYURLHWNK-UHFFFAOYSA-N,2,1,0.368,93,651,446.489,5.665,6,0.35,0.73,1.0,0.3101997806867247,0.4073744088821877,0.8934445891302858,0.8995099719004866,0.6276321876499211
EOS-2-07697,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)c2)cn1,DKNKGIXTNIMWMJ-UHFFFAOYSA-N,2,1,0.354,93,107,446.489,5.665,6,0.35,0.68,1.0,0.21873929134397915,0.30113597423069016,0.9027825371804538,0.9075885820026044,0.5825615961894319
EOS-2-07698,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1-c1ccc(F)cc1,NVHODESUKKDTIB-UHFFFAOYSA-N,2,1,0.403,21,107,446.489,5.665,6,0.35,0.76,1.0,0.18834384209444177,0.35996504694674797,0.8489137139332465,0.8816307998081009,0.5697133506956343
EOS-2-07699,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1-c1cccc(F)c1,NLFARXWGPPXVJQ-UHFFFAOYSA-N,2,1,0.395,93,107,446.489,5.665,6,0.35,0.83,1.0,0.16858851346720582,0.32154238914399286,0.8408008361318621,0.8774844081968337,0.5521040367349737
EOS-2-07700,CCn1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)n1,HOVDWUMZRINRDR-UHFFFAOYSA-N,2,1,0.266,30,301,446.478,3.589,6,0.395,0.72,0.957,0.04121547529298883,0.020183674868069358,0.09988177643752999,0.14118292097868548,0.0756159618943184
EOS-2-07701,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)c5)n34)cc2)nn1,XQCPFYVEOAMLGX-UHFFFAOYSA-N,2,1,0.312,25,598,446.478,3.414,6,0.405,0.73,1.0,0.06560551024604208,0.07233911315194298,0.21713727640326227,0.22020423548762935,0.14382153382221918
EOS-2-07702,Cc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5)n34)cn2)n1,CHCGPCJSKTXBHP-UHFFFAOYSA-N,2,1,0.301,86,167,446.478,3.414,6,0.405,0.64,1.0,0.06561407717085875,0.05314063463779042,0.3043143033376739,0.26169385237475157,0.17119071688026866
EOS-2-07703,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cnnn6C)cn5)n34)cc2)n1,PERGULOWQGCZHE-UHFFFAOYSA-N,2,1,0.288,38,725,446.478,3.414,6,0.405,0.66,1.0,0.05686724693304092,0.06488588856144198,0.21714584332807896,0.20862175313549447,0.1368801829895141
EOS-2-07704,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)nn1,ZWTKHKUNJCZSKX-UHFFFAOYSA-N,2,1,0.293,98,642,446.478,3.414,6,0.405,0.63,1.0,0.0639263929819752,0.053149201562607086,0.23517065314234803,0.2118429168665616,0.14102229113837297
EOS-2-07705,CCn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cn1,JZYCFEMWNRVQLE-UHFFFAOYSA-N,2,1,0.299,42,608,446.478,3.589,6,0.395,0.63,1.0,0.05687581385785758,0.035484202590638066,0.15732300733328763,0.1388612843533685,0.09713607703378795
EOS-2-07706,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)cn2)n(C)n1,GIPRSSZRISCRDU-UHFFFAOYSA-N,2,1,0.271,70,813,446.478,3.414,6,0.405,0.58,1.0,0.03531286409430471,0.026857309300253582,0.2171544102528956,0.19423788636830924,0.11839061750394078
EOS-2-07707,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nccn6C)cn5)n34)cc2)cn1,VGCPRKZPKAOUDJ-UHFFFAOYSA-N,2,1,0.311,86,167,446.478,3.414,6,0.405,0.68,1.0,0.10853437050236447,0.0684754300596258,0.20345589747104378,0.17494517168117332,0.13885271742855185
EOS-2-07708,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cnn(C)n5)cn4)n23)c(-c2ccccc2)n1,WUWHOCMFUIZPRT-UHFFFAOYSA-N,2,1,0.299,38,321,446.478,3.414,6,0.405,0.65,0.106,0.11382873003906517,0.06489445548625865,0.1541446782263039,0.1562949763552875,0.1222907100267288
EOS-2-07709,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)cc2)nn1,FQPPPXKKCYMHED-UHFFFAOYSA-N,2,1,0.282,98,424,446.478,3.414,6,0.405,0.7,1.0,0.08635460215201152,0.04933692001918991,0.2171629771777123,0.20863032006031115,0.14037120485230623
EOS-2-07710,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccncc6)ncn5)n34)cc2)n(C)n1,XKFGBPPKXWHBDS-UHFFFAOYSA-N,2,1,0.325,38,193,446.478,3.414,6,0.405,0.68,1.0,0.04267185251182236,0.022411075320402988,0.18304948255774106,0.17233225961208964,0.10511616750051402
EOS-2-07711,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)nn1,WDKQXFGJVVVUBI-UHFFFAOYSA-N,2,1,0.312,25,791,446.478,3.414,6,0.405,0.76,1.0,0.058580631896374476,0.053157768487423755,0.21382187649921183,0.23791206908368173,0.14086808649167293
EOS-2-07712,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnn(C)c6)n5)n34)cc2)cn1,UOEHMNJBMTZWSM-UHFFFAOYSA-N,2,1,0.292,98,303,446.478,3.414,6,0.405,0.72,1.0,0.05329483928449044,0.06079089849907477,0.28969912960043864,0.27635186073607015,0.17003418203001852
EOS-2-07713,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)cn1,SGBJGLBCLOMAJP-UHFFFAOYSA-N,2,1,0.316,25,791,446.478,3.414,6,0.405,0.73,1.0,0.0622215749434583,0.04222637242135563,0.22419642245219656,0.2379206360084984,0.14164125145637724
EOS-2-07714,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cn5)n34)nc2)n1,MJFVEXBIGIFJKS-UHFFFAOYSA-N,2,1,0.27,86,652,446.478,3.414,6,0.405,0.68,0.979,0.07746213419231032,0.02471557809608663,0.19989205674730998,0.1695737098211226,0.11791086971420739
EOS-2-07715,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)n1C,KJJRTFDBUIQWLH-UHFFFAOYSA-N,2,1,0.307,94,167,446.478,3.414,6,0.405,0.69,1.0,0.13313001165101776,0.07578301692824344,0.30045062024535674,0.2494431498869166,0.18970169967788364
EOS-2-07716,Cc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3cnc(-c4cccnc4)nc3)n12,ONEOVDINADZRMX-UHFFFAOYSA-N,2,1,0.28,42,106,446.478,3.414,6,0.405,0.7,1.0,0.12171886779521623,0.0570043177301076,0.22420498937701322,0.21483277362757863,0.15444023713247892
EOS-2-07717,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nc5)n34)cc2)n1,PQKDQGGIJCCEAI-UHFFFAOYSA-N,2,1,0.29,38,725,446.478,3.414,6,0.405,0.66,1.0,0.08189980124734425,0.0422349393461723,0.21383044342402852,0.19691933383592625,0.13372112946336784
EOS-2-07718,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccccc6)ncn5C)n34)cn2)nn1,GOUQRCZPUVFPHV-UHFFFAOYSA-N,2,1,0.287,70,179,446.478,3.414,6,0.405,0.66,0.892,0.016542731820985538,0.015394763895552053,0.08802515249126174,0.11455691864848194,0.05862989171407032
EOS-2-07719,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)n5)n34)cc2)cn1,KLJFKPLMMORITJ-UHFFFAOYSA-N,2,1,0.312,38,193,446.478,3.414,6,0.405,0.74,1.0,0.09614659721746283,0.04224350627098897,0.19990062367212666,0.18880645603454185,0.13177429579878008
EOS-2-07720,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncn6C)nn5)n34)cc2)n1,ZMWYWNHVZZTHKO-UHFFFAOYSA-N,2,1,0.295,38,193,446.478,3.414,6,0.405,0.67,1.0,0.1217274347200329,0.053166335412240424,0.1963539167980262,0.19973785210060996,0.14274638475772738
EOS-2-07721,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cnccn6)n5)n34)cc2)n1C,CKTKTDMBQKJZBA-UHFFFAOYSA-N,2,1,0.316,86,167,446.478,3.414,6,0.405,0.65,1.0,0.15231135631553697,0.04934548694400658,0.1895346446439586,0.15900212459735452,0.13754840312521416
EOS-2-07722,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)n(C)n1,LCMWSWQMORSHAY-UHFFFAOYSA-N,2,1,0.32,38,608,446.478,3.414,6,0.405,0.75,1.0,0.0936793228702625,0.05701288465492427,0.12709032965526695,0.11682715372489891,0.09865242272633815
EOS-2-07723,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccccc6)n5)n34)cc2)n(C)n1,FFLKBXPWCXCXBR-UHFFFAOYSA-N,2,1,0.386,9,186,446.478,3.414,6,0.405,0.72,1.0,0.08405009937632787,0.06079946542389144,0.10754917414844767,0.12577959015831677,0.09454458227674595
EOS-2-07724,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)nc2)n(C)n1,MXLIWPLFEOWNEY-UHFFFAOYSA-N,2,1,0.352,42,945,446.478,3.414,6,0.405,0.72,1.0,0.07553457610856007,0.06080803234870811,0.09042389143992872,0.0989993831814132,0.08144147076965252
EOS-2-07725,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nc2)cn1,CJOQGFULKQGESR-UHFFFAOYSA-N,2,1,0.253,86,421,446.478,3.589,6,0.395,0.66,1.0,0.03532143101912138,0.014006922075251867,0.2564937290110342,0.2229884860530464,0.13220264203961346
EOS-2-07726,CCn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)nc2)cn1,AIHMFYNFFXWISF-UHFFFAOYSA-N,2,1,0.276,86,812,446.478,3.589,6,0.395,0.68,1.0,0.04698958261942293,0.032494345829621,0.17349736138715646,0.1590106915221712,0.10299799533959289
EOS-2-07727,c1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)n2)c1,LYCSSFJQJMVZBJ-UHFFFAOYSA-N,2,1,0.489,40,25,446.474,4.217,6,0.408,0.66,1.0,0.5003084092934,0.4742735247755466,0.5906209307107121,0.5458587485436228,0.5277654033308203
EOS-2-07728,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cccnn6)[nH]n5)n34)cc2)cc1,DOQSZJGEQILNPR-UHFFFAOYSA-N,2,1,0.462,12,285,446.474,4.217,6,0.408,0.73,0.995,0.45166541018436024,0.5016448495648003,0.5181190459872524,0.5292988828730039,0.5001820471523541
EOS-2-07729,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2)cc1,ZNLRHVUWUAGHPD-UHFFFAOYSA-N,2,1,0.5,12,285,446.474,4.013,6,0.381,0.7,1.0,0.35860290590089783,0.3260657254471935,0.41107532040298816,0.43060790898499074,0.38158796518401755
EOS-2-07730,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)c1,SNBOVEZHGOPXDK-UHFFFAOYSA-N,2,1,0.529,40,932,446.474,4.013,6,0.381,0.6,1.0,0.4306593105338908,0.34559831402919605,0.5614162840106915,0.49252964155986567,0.457550887533411
EOS-2-07731,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)cc2)nn1,RPEGQLAVLWHPKY-UHFFFAOYSA-N,2,1,0.315,9,98,446.474,4.582,6,0.387,0.68,1.0,0.20498937701322734,0.1459118634774861,0.4480244671372764,0.3862312384346515,0.29628923651566036
EOS-2-07732,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)c5)n34)cc2)cc1,NNEGMAAWXZGCGR-UHFFFAOYSA-N,2,1,0.556,12,285,446.474,4.217,6,0.408,0.81,1.0,0.6812418614214242,0.5565074360907408,0.6004471934754301,0.6087399766979645,0.6117341169213899
EOS-2-07733,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,IQZREQPXPAFRPH-UHFFFAOYSA-N,2,1,0.326,9,834,446.474,4.314,6,0.42,0.72,1.0,0.2105835789185114,0.08615756288122815,0.5749263244465767,0.4925382084846823,0.34105141868274963
EOS-2-07734,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)no5)cn4)n23)c(-c2ccccc2)n1,RFQQVXHYTHJDQL-UHFFFAOYSA-N,2,1,0.308,30,321,446.474,4.582,6,0.387,0.65,0.999,0.12173600164484956,0.11450551709958193,0.23517922006716468,0.23499931464601467,0.1766050133644027
EOS-2-07735,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6C)nc5)n34)c2)o1,ZKNHJSRJJDMZRF-UHFFFAOYSA-N,2,1,0.308,42,945,446.474,4.582,6,0.387,0.7,0.998,0.11089884175176479,0.11161846343636488,0.38605989993831813,0.36085600712768146,0.2423583030635323
EOS-2-07736,COc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)cc1,WHIZAQJATZRFGR-UHFFFAOYSA-N,2,1,0.327,30,301,446.474,4.11,6,0.393,0.81,1.0,0.02037214721403605,0.01540333082036872,0.47265437598519633,0.46222842848331164,0.24266457062572816
EOS-2-07737,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccccc5)cn4)n23)cc1,URWPGJOSVGHQPM-UHFFFAOYSA-N,2,1,0.372,30,960,446.474,4.441,6,0.386,0.8,1.0,0.18264683709135768,0.09228291412514564,0.4516482763347269,0.44306421766842574,0.29241056130491394
EOS-2-07738,Cn1cncc1-c1ncc(-c2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cn1,DMJWMUCVHQYOSK-UHFFFAOYSA-N,2,1,0.384,30,960,446.474,4.441,6,0.386,0.82,1.0,0.2297220889589473,0.07234768007675965,0.46935610993077925,0.4494380097320266,0.3052159721746282
EOS-2-07739,Cn1cnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,UFFCWHKEOMZGEJ-UHFFFAOYSA-N,2,1,0.488,77,722,446.474,4.441,6,0.386,0.75,1.0,0.439808786238092,0.24980296072921665,0.47266294291001304,0.44944657665684323,0.40293031663354123
EOS-2-07740,c1ccc(-n2nccc2COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,AMCNCXGUEVQTAN-UHFFFAOYSA-N,2,1,0.511,77,177,446.474,4.013,6,0.381,0.68,1.0,0.3447930230964293,0.23422829141251456,0.4586303200603111,0.427506682201357,0.3662895791926529
EOS-2-07741,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)nc2)cc1,OHMLXEIQQGUQGE-UHFFFAOYSA-N,2,1,0.607,30,104,446.474,4.013,6,0.381,0.68,1.0,0.06756733602905901,0.11162703036118155,0.34076656843259545,0.3898379137824686,0.22744971215132614
EOS-2-07742,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)nc1,WKPDOVNESDQGEK-UHFFFAOYSA-N,2,1,0.563,40,932,446.474,4.013,6,0.381,0.7,1.0,0.31020834761154137,0.23989959564114866,0.4965817969981495,0.4430727845932424,0.37244063121102045
EOS-2-07743,c1ccc(-c2ncc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cn2)cc1,FOEIZZJUOLPBDV-UHFFFAOYSA-N,2,1,0.512,28,932,446.474,4.013,6,0.381,0.68,1.0,0.3278390788842437,0.264983551504352,0.42239222808580634,0.392690699746419,0.35197638955520527
EOS-2-07744,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,JLGZEALUSTWDHT-UHFFFAOYSA-N,2,1,0.4,17,960,446.474,4.441,6,0.386,0.79,1.0,0.11383729696388184,0.06848399698444246,0.43340929340004114,0.4804160098690974,0.27403664930436566
EOS-2-07745,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)nc1,NZJZKMJMRIQNPX-UHFFFAOYSA-N,2,1,0.511,28,763,446.474,4.217,6,0.408,0.69,1.0,0.7300733328764307,0.4654324583647454,0.5516756904941402,0.4895140840243986,0.5591738914399288
EOS-2-07746,c1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc(-c2cc[nH]n2)c1,RQHRKAVQWSNSSE-UHFFFAOYSA-N,2,1,0.484,77,190,446.474,4.217,6,0.408,0.7,1.0,0.6812504283462408,0.48756082516619836,0.689448975395792,0.6382273319169351,0.6241218902062916
EOS-2-07747,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cc2)c1,SAKHWYLBGFXHTB-UHFFFAOYSA-N,2,1,0.418,28,603,446.474,4.013,6,0.381,0.7,1.0,0.3970769652525529,0.2399081625659653,0.5614248509355082,0.5089524364334178,0.42684060379686106
EOS-2-07748,c1cncc(-c2cccc(-c3nnc4cncc(OCc5cccnc5-n5cccn5)n34)c2)c1,HEKYGTRMSMJRTE-UHFFFAOYSA-N,2,1,0.446,41,78,446.474,4.013,6,0.381,0.66,1.0,0.28351380988280445,0.13858714275923514,0.4334178603248578,0.4213213624837228,0.31921004386265506
EOS-2-07749,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cc2)c1,PTUZIPUFRPRBGT-UHFFFAOYSA-N,2,1,0.418,28,933,446.474,4.013,6,0.381,0.82,1.0,0.2808066616407374,0.13129668974025083,0.5779247481324103,0.5223168391474197,0.3780862346652045
EOS-2-07750,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cc2)c1,RNUYMFMVKKBSKW-UHFFFAOYSA-N,2,1,0.46,28,603,446.474,4.013,6,0.381,0.64,1.0,0.4606178466177781,0.3306918648481941,0.5682612569392091,0.5089610033582346,0.467132992940854
EOS-2-07751,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)c1,XFGDLKCEKBGVOQ-UHFFFAOYSA-N,2,1,0.5,40,763,446.474,4.217,6,0.408,0.71,1.0,0.6872301418682749,0.4612260982797615,0.6123980535946817,0.5458673154684395,0.5766804023027894
EOS-2-07752,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc(C)o6)c5)n34)cc2)n1,RHMSEAKSIMXMNX-UHFFFAOYSA-N,2,1,0.311,9,598,446.474,4.582,6,0.387,0.69,1.0,0.16033856486875472,0.117469673086149,0.37492289767665,0.335052429579878,0.24694589130285793
EOS-2-07753,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)cn2)cc1,VYNFWSZGUWZNAE-UHFFFAOYSA-N,2,1,0.447,40,857,446.474,4.217,6,0.408,0.7,1.0,0.5618788979507916,0.4213213624837228,0.4726715098348297,0.44641388527174286,0.4755714138852718
EOS-2-07754,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)cn5)n34)cc2)cc1,OEXKTMYMNWJHED-UHFFFAOYSA-N,2,1,0.535,12,285,446.474,4.013,6,0.381,0.74,1.0,0.3537968610787472,0.2858183126584881,0.5551281611952573,0.5293074497978206,0.4310126961825783
EOS-2-07755,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc(C)o6)c5)n34)cc2)cn1,UXJPMIKBVPJEGE-UHFFFAOYSA-N,2,1,0.324,9,598,446.474,4.582,6,0.387,0.73,1.0,0.15769995202522102,0.1348176958399013,0.422400795010623,0.3640086354602152,0.26973176958399014
EOS-2-07756,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)o6)nc5)n34)cc2)cn1,DKQUQCVZXKINLF-UHFFFAOYSA-N,2,1,0.301,9,532,446.474,4.582,6,0.387,0.81,1.0,0.12463162223288328,0.1313052566650675,0.40082927832225346,0.35414810499623056,0.2527285655541087
EOS-2-07757,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc1,YHZLLTWGSRIBAO-UHFFFAOYSA-N,2,1,0.418,41,25,446.474,4.441,6,0.386,0.73,1.0,0.39708553217736964,0.24490267973408264,0.6034456171612638,0.5160287163319854,0.44036563635117537
EOS-2-07758,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-n6cccn6)n5)n34)cc2)cc1,BBNWYVMSEFHOAO-UHFFFAOYSA-N,2,1,0.465,12,285,446.474,4.013,6,0.381,0.75,1.0,0.33530087039956136,0.28582687958330477,0.42240936193543965,0.4338719073401412,0.36935225481461176
EOS-2-07759,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6c[nH]nn6)c5)n34)cc2)nc1,OYMIBIOEHGPDMA-UHFFFAOYSA-N,2,1,0.345,9,152,446.474,4.314,6,0.42,0.69,1.0,0.22973065588376396,0.1145140840243986,0.645449249537386,0.5813686519087109,0.39276566033856486
EOS-2-07760,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cn2)nc1,PVEQVWQWZVNZRC-UHFFFAOYSA-N,2,1,0.523,28,297,446.474,4.013,6,0.381,0.62,1.0,0.342454252621479,0.3011445411555068,0.4656380645603454,0.4147333972997053,0.3809925639092591
EOS-2-07761,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc1,QOONFAXWWFTUCB-UHFFFAOYSA-N,2,1,0.418,41,318,446.474,4.441,6,0.386,0.72,1.0,0.5258464121718868,0.3354979096703447,0.5347731478308546,0.4622369954081283,0.46458861627030357
EOS-2-07762,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cn2)cc1,XEDIFTWEOCXXAP-UHFFFAOYSA-N,2,1,0.467,28,363,446.474,4.013,6,0.381,0.68,1.0,0.29980810088410664,0.2190991021862792,0.46215132615996163,0.42751524912617367,0.3521434445891303
EOS-2-07763,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1,WYKNUTLFMAKIPQ-UHFFFAOYSA-N,2,1,0.47,41,870,446.474,4.441,6,0.386,0.75,1.0,0.5102974436296347,0.3165393050510589,0.514443835240902,0.45270200808717703,0.44849564800219316
EOS-2-07764,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nncn5-c5ccccc5)n34)nc2)cc1,BCIBUUDZGFPAIT-UHFFFAOYSA-N,2,1,0.398,30,737,446.474,4.013,6,0.381,0.72,1.0,0.24328353094373245,0.1459204304023028,0.3262199300938935,0.38623980535946817,0.2754159241998492
EOS-2-07765,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,HERZFXWOHDNXSF-UHFFFAOYSA-N,2,1,0.481,12,285,446.474,4.441,6,0.386,0.78,1.0,0.47297991912822973,0.3215509560688095,0.43342642724967445,0.44945514358165994,0.4193531115070934
EOS-2-07766,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnoc6C)cn5)n34)cc2)n1,JXNNSXVTNHXJFW-UHFFFAOYSA-N,2,1,0.3,42,983,446.474,4.582,6,0.387,0.67,1.0,0.07158522376807622,0.0757915838530601,0.45534918785552736,0.3862483722842848,0.24724359194023715
EOS-2-07767,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6noc(C)n6)nc5)n34)cc2)n1,UXOJPKNVQXOXGX-UHFFFAOYSA-N,2,1,0.308,38,532,446.474,4.582,6,0.387,0.73,1.0,0.13038002878486737,0.14223665273113564,0.315297100952642,0.28527859639503805,0.2182980947159208
EOS-2-07768,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)o6)cn5)n34)cc2)n1,UYAXRCKFXFLEQI-UHFFFAOYSA-N,2,1,0.303,38,818,446.474,4.582,6,0.387,0.62,1.0,0.14092591323418546,0.1084487012541978,0.43710163799602497,0.3541566719210472,0.2601582311013639
EOS-2-07769,Cc1ncc(-c2nnc3cncc(-c4cccc(-c5nnc(C)o5)c4)n23)c(-c2ccccc2)n1,YKIDNPIUECXAAH-UHFFFAOYSA-N,2,1,0.311,30,598,446.474,4.582,6,0.387,0.71,1.0,0.11668151600301556,0.12455451990953327,0.23518778699198137,0.24945171681173325,0.18146888492906588
EOS-2-07770,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)o6)cn5)n34)cc2)n1,GCHMKCMPEXTLET-UHFFFAOYSA-N,2,1,0.303,38,532,446.474,4.582,6,0.387,0.71,1.0,0.10854293742718114,0.13131382358988417,0.3407751353574121,0.2972637242135563,0.21947390514700843
EOS-2-07771,c1ccc2c(c1)CC(Oc1cncc3nnc(-c4ccc(-c5ccc6nncn6n5)cc4)n13)C2,BCGPZIYCWDQARQ-UHFFFAOYSA-N,2,1,0.467,77,755,446.474,3.442,7,0.409,0.69,1.0,0.7054177232540607,0.5657682818175588,0.5211517373723529,0.5718593653622096,0.5910492769515455
EOS-2-07772,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)nc2)nn1,KCFSBYRHZRNEGB-UHFFFAOYSA-N,2,1,0.301,38,532,446.474,4.582,6,0.387,0.62,1.0,0.14093448015900212,0.13482626276471799,0.42951134260845725,0.34783428140634637,0.2632765917346309
EOS-2-07773,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cc1,ZQLRFHNLBCKHDE-UHFFFAOYSA-N,2,1,0.452,12,763,446.474,4.217,6,0.408,0.66,1.0,0.5787386059899938,0.44351826468370914,0.49659036392296624,0.47446199712151327,0.4983273079295456
EOS-2-07774,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(C)no6)nc5)n34)cn2)cc1,QFCATFDMJWHMAP-UHFFFAOYSA-N,2,1,0.326,32,321,446.474,4.582,6,0.387,0.74,1.0,0.16859708039202248,0.15378486738400385,0.35603282845589745,0.3350609965046947,0.2533689431841546
EOS-2-07775,COc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nn1,CEMQKVAQLFXBIZ-UHFFFAOYSA-N,2,1,0.366,30,298,446.474,4.11,6,0.393,0.8,1.0,0.06757590295387568,0.06081659927352478,0.40436741827153727,0.39884175176478653,0.23290041806593106
EOS-2-07776,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(C)no6)cc5)n34)cc2)n1,UZKIKKLOSDAZFK-UHFFFAOYSA-N,2,1,0.338,9,98,446.474,4.582,6,0.387,0.67,1.0,0.1994380097320266,0.1422452196559523,0.3860684668631348,0.3382221917620451,0.2664934720032897
EOS-2-07777,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)nc2)cc1,URZVNMCCWWYUKE-UHFFFAOYSA-N,2,1,0.435,28,177,446.474,4.013,6,0.381,0.77,1.0,0.26736515660338567,0.13483482968953464,0.4445377287368926,0.4275238160509903,0.31856538277020086
EOS-2-07778,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,KPEKMAZBMYOREV-UHFFFAOYSA-N,2,1,0.427,12,285,446.474,4.441,6,0.386,0.78,1.0,0.48537625933794804,0.3165478719758755,0.45535775478034407,0.4527105750119937,0.42749811527654036
EOS-2-07779,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)cn1,FNSMLGIZRXXKEG-UHFFFAOYSA-N,2,1,0.316,30,195,446.474,4.11,6,0.393,0.81,1.0,0.04854876293605647,0.07235624700157632,0.4965989308477829,0.427532382975807,0.2612590809403057
EOS-2-07780,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)nc5)n34)cc2)c1,MJMNQYYUTWRMPM-UHFFFAOYSA-N,2,1,0.517,40,78,446.474,4.013,6,0.381,0.72,1.0,0.41003015557535466,0.27026934411623604,0.6095624014803646,0.5389966417654719,0.45721463573435683
EOS-2-07781,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,AQBXMRJZUQWWRN-UHFFFAOYSA-N,2,1,0.595,12,285,446.474,4.441,6,0.386,0.86,1.0,0.4214412994311562,0.29117264066890547,0.4371102049208416,0.48952265094921527,0.4098116989925296
EOS-2-07782,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)c1,XFPZPORQJIUTHA-UHFFFAOYSA-N,2,1,0.512,77,190,446.474,4.013,6,0.381,0.75,1.0,0.46783976423822904,0.2858354465081214,0.6596703447330546,0.5936364882461792,0.5017455109313961
EOS-2-07783,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cc2)c1,WRANFNQXQMFFEN-UHFFFAOYSA-N,2,1,0.518,40,933,446.474,4.013,6,0.381,0.71,1.0,0.4853848262627647,0.28045541772325405,0.6067267493660475,0.5359553834555548,0.4771305942019053
EOS-2-07784,Cc1cnc(-c2cc(C)c(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cn2)cn1,QVLKXIYDDIQHIG-UHFFFAOYSA-N,2,1,0.311,38,57,446.474,4.582,6,0.387,0.58,1.0,0.16604413679665547,0.09554691248029608,0.45165684325954353,0.38317284627510106,0.274105184702899
EOS-2-07785,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)cc1,PGWRTRVVJNOTQT-UHFFFAOYSA-N,2,1,0.481,12,722,446.474,4.441,6,0.386,0.83,1.0,0.4877578644369817,0.2702779110410527,0.45863888698512784,0.43981735316290865,0.41412300390651774
EOS-2-07786,Cn1cc(-c2cccc(Oc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)c2)cn1,HTMBTRWCWYSYRB-UHFFFAOYSA-N,2,1,0.506,41,722,446.474,4.441,6,0.386,0.77,1.0,0.42361729833458983,0.2548917140703173,0.6360598999383181,0.5621273387704749,0.4691740627784251
EOS-2-07787,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)c1,BJWDLPROHQZLRH-UHFFFAOYSA-N,2,1,0.549,40,78,446.474,4.013,6,0.381,0.74,1.0,0.3927249674456857,0.26499211842916864,0.5614334178603249,0.5024415735727503,0.4303980193269824
EOS-2-07788,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,HPQAYSWDZRWUKK-UHFFFAOYSA-N,2,1,0.358,93,991,446.474,4.11,6,0.393,0.72,1.0,0.051709958193406895,0.08616612980604482,0.42607600575697346,0.39269926667123567,0.23916284010691521
EOS-2-07789,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(C)n6)cc5)n34)o2)nn1,YUKAZGKIMXWDKG-UHFFFAOYSA-N,2,1,0.322,38,532,446.474,4.582,6,0.387,0.64,1.0,0.12746727434720032,0.105013364402714,0.3115019532588582,0.2852871633198547,0.2073174388321568
EOS-2-07790,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cn2)c1,RVMSEAOYCRNJPI-UHFFFAOYSA-N,2,1,0.444,28,603,446.474,4.013,6,0.381,0.64,1.0,0.43066787745870744,0.3062332944966075,0.555136728120074,0.5058083750257008,0.44946156877527244
EOS-2-07791,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,VJKSDZJSYQHMSV-UHFFFAOYSA-N,2,1,0.512,77,190,446.474,4.217,6,0.408,0.73,1.0,0.6812589952710575,0.4435268316085258,0.6423908573778356,0.5936450551709959,0.5902054348571036
EOS-2-07792,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnn5-c5ccncc5)n34)cc2)nc1,FBQPYVCHMQHVOH-UHFFFAOYSA-N,2,1,0.5,40,120,446.474,4.013,6,0.381,0.73,1.0,0.302403879103557,0.21403604961962855,0.47268007675964635,0.43388047426495785,0.35575011993694744
EOS-2-07793,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc(C)o6)c5)n34)cc2)nn1,ORNSMCFEXHUIAW-UHFFFAOYSA-N,2,1,0.329,9,598,446.474,4.582,6,0.387,0.71,1.0,0.16605270372147213,0.14225378658076895,0.3710506476595161,0.33506956342951133,0.2536066753478171
EOS-2-07794,COc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cc1,IYYOEVVYWMHHNC-UHFFFAOYSA-N,2,1,0.395,42,150,446.474,4.11,6,0.393,0.75,1.0,0.03532999794393804,0.07930402302789391,0.6760588719073402,0.5874083339044617,0.3445253066959084
EOS-2-07795,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5C)n34)cc2)n1,UXJRRMDGAOUNAC-UHFFFAOYSA-N,2,1,0.293,9,98,446.474,4.582,6,0.387,0.65,1.0,0.18835240901925845,0.10502193132753067,0.4931807278459324,0.42422554999657325,0.3026951545473237
EOS-2-07796,Cn1cnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,CTNWISRPQIULKO-UHFFFAOYSA-N,2,1,0.476,30,363,446.474,4.441,6,0.386,0.75,1.0,0.4033907888424371,0.2191076691110959,0.4334349941744911,0.4338890411897745,0.37245562332944965
EOS-2-07797,COc1ncc(-c2nc[nH]n2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,OJVNJTUDMFIGCR-UHFFFAOYSA-N,2,1,0.317,93,774,446.474,4.314,6,0.42,0.74,1.0,0.30241244602837364,0.26500068535398535,0.4830460557878144,0.4557432663970941,0.3765506133918169
EOS-2-07798,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)cc1,AWCFNXPECSEDLD-UHFFFAOYSA-N,2,1,0.349,9,834,446.474,4.314,6,0.42,0.68,1.0,0.1883609759440751,0.11163559728599821,0.6034541840860804,0.5390052086902886,0.36061399150161055
EOS-2-07799,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccccn6)cn5)n34)cc2)n[nH]1,FLMVPUAXJIGVKH-UHFFFAOYSA-N,2,1,0.404,41,120,446.474,4.739,6,0.408,0.68,1.0,0.502732849016517,0.435011308340758,0.5381827839078884,0.45575183332191077,0.48291969364676857
EOS-2-07800,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccccc6)cc5)n34)cc2)o1,BPXRTZOKZIDEMK-UHFFFAOYSA-N,2,1,0.553,21,47,446.47,5.609,6,0.34,0.85,1.0,0.5462870947844561,0.41224042217805495,0.6299431156192173,0.6087485436227812,0.5493047940511274
EOS-2-07801,c1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,SROXQYPDPNNZPV-UHFFFAOYSA-N,2,1,0.537,12,47,446.47,5.087,6,0.352,0.73,1.0,0.6660355698718388,0.4788396957028305,0.7027619765608937,0.684728599821808,0.6330914604893427
EOS-2-07802,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)no5)n34)cc2)cc1,CNEODYWJNXRJIH-UHFFFAOYSA-N,2,1,0.52,12,47,446.47,5.087,6,0.352,0.79,1.0,0.4629309163182784,0.4699729285175793,0.472688643684463,0.5223254060722363,0.4819794736481393
EOS-2-07803,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)cc1,JALDYOIIVFSGPE-UHFFFAOYSA-N,2,1,0.39,93,479,446.47,5.184,6,0.36,0.73,1.0,0.344801590021246,0.16524741278870536,0.6813960660681242,0.6055359468165308,0.44924525392365156
EOS-2-07804,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)cn1,HCARQRYJMVFHPB-UHFFFAOYSA-N,2,1,0.359,69,958,446.47,5.184,6,0.36,0.76,1.0,0.3654221780549654,0.20429545610307723,0.7789990405044205,0.6875299842368583,0.5090616647248304
EOS-2-07805,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cc2)nc1,YYHBZJAVAOMGHB-UHFFFAOYSA-N,2,1,0.531,77,427,446.47,5.087,6,0.352,0.77,1.0,0.7358046055787815,0.469981495442396,0.7027705434857103,0.6439500376944692,0.6381266705503392
EOS-2-07806,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnco6)nc5)n34)cc2)cc1,XQFOPQGVECMKCC-UHFFFAOYSA-N,2,1,0.582,12,285,446.47,5.087,6,0.352,0.79,1.0,0.6961825783016928,0.39793365773421974,0.7154410252895621,0.6757247618394902,0.6213205057912412
EOS-2-07807,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)cc1,AYMRRMFDARTNIS-UHFFFAOYSA-N,2,1,0.562,12,47,446.47,5.087,6,0.352,0.76,1.0,0.6690082927832225,0.519575423206086,0.7259697758892468,0.7041498183811938,0.6546758275649374
EOS-2-07808,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,YQJXKCBJGPOSBB-UHFFFAOYSA-N,2,1,0.359,21,538,446.47,5.184,6,0.36,0.78,1.0,0.40543828387362074,0.19052840792269207,0.7259783428140635,0.6757333287643068,0.49941959084367077
EOS-2-07809,COc1cc(-c2ccon2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,IQSOUHBGKWSVOG-UHFFFAOYSA-N,2,1,0.326,69,737,446.47,5.184,6,0.36,0.79,1.0,0.1495613734493866,0.03250291275443767,0.6867075594544583,0.6412514563772188,0.37750582550887535
EOS-2-07810,COc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ccc1-c1cnco1,NGWCJRBNAVUZRV-UHFFFAOYSA-N,2,1,0.319,69,737,446.47,5.184,6,0.36,0.77,1.0,0.26482934685765197,0.07931258995271058,0.712888081694195,0.6553868823247208,0.4281042252073196
EOS-2-07811,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccoc6)nn5)n34)cc2)cc1,UJUPSLSTWKQWNU-UHFFFAOYSA-N,2,1,0.512,12,285,446.47,5.087,6,0.352,0.72,1.0,0.4853933931875814,0.4213299294085395,0.6360684668631348,0.6382358988417518,0.5452569220752519
EOS-2-07812,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)cn5)n34)cc2)cc1,YTNNLURMIIHYIC-UHFFFAOYSA-N,2,1,0.593,12,285,446.47,5.087,6,0.352,0.78,1.0,0.43270680556507435,0.40738297580700433,0.6894575423206086,0.6640823110136386,0.5484074086765814
EOS-2-07813,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccnc5Oc5ccccc5)n34)cc2)o1,JBEYBXGFGSBTOR-UHFFFAOYSA-N,2,1,0.385,93,987,446.47,5.609,6,0.34,0.75,1.0,0.2648379137824686,0.16134946199712152,0.6214618600507162,0.5428774587074224,0.3976316736344322
EOS-2-07814,c1ccc(COc2cccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)cc1,JRUHNYRLESTDON-UHFFFAOYSA-N,2,1,0.422,12,897,446.47,5.087,6,0.352,0.79,1.0,0.4236258652594065,0.407391542731821,0.7387344938660818,0.7015454732369268,0.5678243437735591
EOS-2-07815,COc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3cccnc3-c3ccccc3)n12,HEVKWOZBZDDGBA-UHFFFAOYSA-N,2,1,0.337,69,220,446.47,5.184,6,0.36,0.71,1.0,0.32024021657185936,0.11452265094921527,0.6537334658351038,0.5994105955726132,0.4219767322321979
EOS-2-07816,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccno6)cc5)n34)cc2)c1,KVBHACKMUYNOFE-UHFFFAOYSA-N,2,1,0.581,41,190,446.47,5.087,6,0.352,0.74,1.0,0.6017836337468302,0.4213384963333562,0.7916952230827222,0.7472157494345829,0.640508275649373
EOS-2-07817,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)c1,QVSVAZKYSSZTCG-UHFFFAOYSA-N,2,1,0.543,91,742,446.461,4.574,5,0.366,0.73,1.0,0.6930984853676924,0.57532896991296,0.8252947022136934,0.7818946610924542,0.7189042046467
EOS-2-07818,CCn1nccc1-c1cccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1,JSWGRZDWYJMTML-UHFFFAOYSA-N,2,1,0.535,1,138,446.461,5.191,5,0.344,0.75,1.0,0.6103676924131314,0.48287471729148107,0.8840552395312179,0.8252775683640601,0.7006438043999726
EOS-2-07819,CCc1c(COc2cncc3nnc(-c4ccc(F)cc4)n23)c(-c2ccc(F)cc2)nn1C,VQXIEMXKDDMEFB-UHFFFAOYSA-N,2,1,0.623,43,372,446.461,4.611,5,0.381,0.64,1.0,0.5334966760331711,0.7248046741141799,0.5648773216366253,0.6291378246864505,0.6130791241176068
EOS-2-07820,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(C(F)F)cc4)n23)c1,FEDJKMWTCMBASB-UHFFFAOYSA-N,2,1,0.511,1,138,446.461,5.191,5,0.344,0.77,1.0,0.5678157768487424,0.4256733602905901,0.9156500582550887,0.857206497155781,0.6915864231375506
EOS-2-07821,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1F,FOVLPALHHLFWQX-UHFFFAOYSA-N,2,1,0.616,26,70,446.461,4.574,5,0.366,0.73,1.0,0.8762850387225002,0.7248132410389967,0.8218679322870263,0.7958673154684395,0.8047083818792407
EOS-2-07822,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,YOJKQKMPPPEBRD-UHFFFAOYSA-N,2,1,0.616,91,660,446.461,4.385,5,0.354,0.78,1.0,0.8700140497566994,0.7016568432595436,0.7259869097388801,0.7127681447467618,0.7526064868754712
EOS-2-07823,COC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)cc1,UQJYYXVCLKKMHQ-UHFFFAOYSA-N,2,1,0.478,72,226,446.452,2.465,5,0.358,0.73,1.0,0.38617983688575147,0.2804639846480707,0.10755774107326434,0.05639606606812419,0.20764940716880267
EOS-2-07824,CN=c1nc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nn2C)cc[nH]1,VBINCBYRAYNQKA-UHFFFAOYSA-N,2,1,0.392,31,569,446.45,1.601,5,0.42,0.51,0.786,0.27790247412788704,0.10845726817901447,0.09483585772051265,0.07093413748200945,0.1380324343773559
EOS-2-07825,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)c1,GSOYHCZADOCJTG-UHFFFAOYSA-N,2,1,0.333,32,983,446.449,4.511,6,0.393,0.69,1.0,0.3493420601740799,0.42134706325817284,0.6423994243026523,0.6582225344390378,0.5178277705434857
EOS-2-07826,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)n1,PEXIOSCCDFAXEZ-UHFFFAOYSA-N,2,1,0.308,30,301,446.449,4.511,6,0.368,0.82,1.0,0.2727280515386197,0.3404067575902954,0.5551452950448907,0.6055445137413474,0.4434561544787883
EOS-2-07827,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)nc2)cc1,AJEMKUJFZYVKHA-UHFFFAOYSA-N,2,1,0.338,32,170,446.449,4.511,6,0.393,0.81,0.993,0.2213093687889795,0.3790949900623672,0.7463933246521829,0.77488691659242,0.5304211500239874
EOS-2-07828,Fc1ccc(-c2nnccc2-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)cc1,XJYGGYLLXRMRGV-UHFFFAOYSA-N,2,1,0.316,64,885,446.449,4.511,6,0.393,0.63,1.0,0.27512679048728667,0.3215595229936262,0.5073589884175177,0.6291463916112672,0.4332979233774244
EOS-2-07829,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cccnc6)c5)n34)cn2)cn1,FZVZXLZNOBDLEH-UHFFFAOYSA-N,2,1,0.33,42,106,446.449,4.511,6,0.368,0.81,1.0,0.30511959427044066,0.3979422246590364,0.7577959015831677,0.762661914879035,0.5558799088479199
EOS-2-07830,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nc2)cn1,BZDNRPGOVBRKDT-UHFFFAOYSA-N,2,1,0.342,42,171,446.449,4.511,6,0.368,0.79,1.0,0.2779110410527037,0.39795079158385305,0.7936998834898225,0.7889709409910218,0.5646331642793503
EOS-2-07831,Fc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)c1,MNQDELRBDYDUSI-UHFFFAOYSA-N,2,1,0.385,42,171,446.449,4.511,6,0.393,0.77,1.0,0.2727366184634364,0.4612346652045782,0.7488348982249332,0.777259954766637,0.5650165341648963
EOS-2-07832,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)ccn1,XUKZMJCFWNUUSR-UHFFFAOYSA-N,2,1,0.304,30,301,446.449,4.511,6,0.368,0.7,1.0,0.24616201768213283,0.3355064765951614,0.6393838667671853,0.6817815776848742,0.4757084846823384
EOS-2-07833,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cn1,XYABJSUNRYVZME-UHFFFAOYSA-N,2,1,0.338,42,57,446.449,4.511,6,0.368,0.8,1.0,0.28352237680762116,0.40740010965663764,0.6975789870468097,0.6787488862997738,0.5168125899527105
EOS-2-07834,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ncc1-c1cncnc1,JAGBQHGTFQKVNN-UHFFFAOYSA-N,2,1,0.316,32,170,446.449,4.511,6,0.393,0.74,0.877,0.2323778356521143,0.3165564389006922,0.707782194503461,0.7472243163593997,0.5009851963539168
EOS-2-07835,Fc1ccncc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)nc4)n23)cc1,OWEYHCUJGFFPHS-UHFFFAOYSA-N,2,1,0.351,42,106,446.449,4.511,6,0.393,0.73,1.0,0.36543074497978206,0.47428209170036323,0.7311956000274141,0.7444486327187992,0.5788392673565896
EOS-2-07836,Fc1cc(-c2nnc3cncc(-c4cncc(-c5cncnc5)n4)n23)ccc1-c1ccccc1,HYOACDYACFLANH-UHFFFAOYSA-N,2,1,0.35,42,594,446.449,4.511,6,0.393,0.73,1.0,0.3399441436501953,0.43023096429305735,0.7234082653690631,0.7653090946473854,0.5647231169899253
EOS-2-07837,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cnc1-c1cccnc1,JCYRAOSPGGBFST-UHFFFAOYSA-N,2,1,0.304,42,174,446.449,4.511,6,0.393,0.77,1.0,0.26484648070728534,0.3501987526557467,0.6785861147282571,0.7041583853060106,0.49944743334932495
EOS-2-07838,Fc1cccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)n1,AFWYSYUHYDOAIT-UHFFFAOYSA-N,2,1,0.389,93,757,446.449,4.511,6,0.368,0.73,1.0,0.3514752244534302,0.41692653005277225,0.5001542046467,0.5904838599136454,0.464759954766637
EOS-2-07839,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)nc1,NQFDTBQXYSMMAB-UHFFFAOYSA-N,2,1,0.325,42,983,446.449,4.511,6,0.393,0.79,1.0,0.3676838462065657,0.3979593585086697,0.6454578164622027,0.6640908779384552,0.5187979747789733
EOS-2-07840,Fc1ncccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,SYNMXFFASCOJQN-UHFFFAOYSA-N,2,1,0.351,32,479,446.449,4.511,6,0.368,0.68,1.0,0.26214789939003497,0.4169350969775889,0.6454663833870194,0.6611609896511548,0.49642759235144956
EOS-2-07841,Fc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc1,GHLFEYBXWPDRQD-UHFFFAOYSA-N,2,1,0.309,30,737,446.449,4.511,6,0.393,0.69,0.841,0.22973922280858064,0.3695600027414159,0.5614419847851415,0.6787574532245905,0.4598746658899321
EOS-2-07842,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)cn5)n34)cn2)c1,DHPSYZDXBXBZAW-UHFFFAOYSA-N,2,1,0.39,32,20,446.449,4.511,6,0.393,0.84,1.0,0.2432920978685491,0.4074086765814543,0.670361866904256,0.709975327256528,0.5077594921526969
EOS-2-07843,Fc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)ccn2)ccn1,NPHZGFDPMBARBR-UHFFFAOYSA-N,2,1,0.316,42,171,446.449,4.511,6,0.368,0.69,1.0,0.307458364745391,0.39305907751353575,0.8024467137276403,0.7910869714207388,0.5735127818518265
EOS-2-07844,Fc1ccccc1-c1nncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1,XGKQQTIHFYVUBM-UHFFFAOYSA-N,2,1,0.382,30,737,446.449,4.511,6,0.393,0.74,1.0,0.2297477897333973,0.3743317798642999,0.5551538619697074,0.6640994448632719,0.45583321910766905
EOS-2-07845,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cc2)cn1,ODUPNSYLBXFMGS-UHFFFAOYSA-N,2,1,0.361,69,894,446.449,4.511,6,0.393,0.73,1.0,0.27019224179288603,0.407417243506271,0.7234168322938798,0.7258755397162634,0.531725464327325
EOS-2-07846,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)ccc1-c1ccccc1,SRKRYYKMQFWNFI-UHFFFAOYSA-N,2,1,0.35,93,651,446.449,4.511,6,0.393,0.75,1.0,0.31539990405044205,0.3695685696662326,0.7387430607908985,0.7798471660612707,0.550889675142211
EOS-2-07847,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cc2)c1,SLQBTLZGGBBOIU-UHFFFAOYSA-N,2,1,0.38,93,74,446.449,4.511,6,0.393,0.74,1.0,0.2835309437324378,0.3930676444383524,0.7601689397573846,0.7980690151463231,0.5587091357686245
EOS-2-07848,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)c1,JWGFKUIVOYCFFT-UHFFFAOYSA-N,2,1,0.316,42,171,446.449,4.511,6,0.393,0.79,1.0,0.34481015694606265,0.430239531217874,0.7917037900075389,0.7935799465423892,0.5900833561784662
EOS-2-07849,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cn1,BJYYPDGSJNKRCG-UHFFFAOYSA-N,2,1,0.329,42,171,446.449,4.511,6,0.368,0.8,1.0,0.28353951065725447,0.4122489891028716,0.7960129531903228,0.7842505654170379,0.5690130045918717
EOS-2-07850,Fc1ncccc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,AXUVRWDPMNYDSG-UHFFFAOYSA-N,2,1,0.312,42,171,446.449,4.511,6,0.368,0.75,1.0,0.3154084709752587,0.40742581043108766,0.8146631485162086,0.8066273730381742,0.5860312007401823
EOS-2-07851,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cn1,UYNMHZAIZXWDSO-UHFFFAOYSA-N,2,1,0.46,93,594,446.449,4.511,6,0.393,0.81,1.0,0.31785861147282574,0.4567798642999109,0.629951682544034,0.6787660201494071,0.5208390446165444
EOS-2-07852,Fc1cc(-c2nccnn2)cnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,ZDLWAUKSOSBYIX-UHFFFAOYSA-N,2,1,0.365,93,651,446.449,4.511,6,0.393,0.77,1.0,0.3328678637516277,0.4481272702350764,0.6034627510108971,0.6817901446096909,0.516562007401823
EOS-2-07853,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)n1,BDXLKQZEEOKLBT-UHFFFAOYSA-N,2,1,0.384,42,174,446.449,4.511,6,0.393,0.73,1.0,0.2972637242135563,0.4122575560276883,0.7154495922143788,0.7206839832773627,0.5364137139332465
EOS-2-07854,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)c1,OUBSOLNNRPWRPH-UHFFFAOYSA-N,2,1,0.351,38,983,446.449,4.511,6,0.393,0.68,1.0,0.310216914536358,0.412266122952505,0.6568946610924542,0.6611695565759715,0.5101368137893222
EOS-2-07855,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)ccn1,GNTSBXJOMIWEKC-UHFFFAOYSA-N,2,1,0.347,32,20,446.449,4.511,6,0.368,0.7,1.0,0.2702008087177027,0.3743403467891166,0.6454749503118361,0.6757418956891235,0.49143950037694467
EOS-2-07856,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)nc1,JLIWTFGVZQVKBM-UHFFFAOYSA-N,2,1,0.321,32,126,446.449,4.511,6,0.393,0.76,1.0,0.2946850798437393,0.3791035569871839,0.5181276129120691,0.5557192790076074,0.4369088821876499
EOS-2-07857,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)nc2)cc1,ACCLJNVOWPXGIH-UHFFFAOYSA-N,2,1,0.329,69,152,446.449,4.511,6,0.393,0.8,1.0,0.2270577753409636,0.3215680899184429,0.7601775066822014,0.7980775820711398,0.5267202385031869
EOS-2-07858,Fc1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cn2)ccn1,PALPNMBJPDBCJV-UHFFFAOYSA-N,2,1,0.351,30,106,446.449,4.511,6,0.368,0.84,1.0,0.2862123912000548,0.355064765951614,0.6214704269755329,0.652516962511137,0.47881613665958467
EOS-2-07859,Fc1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)ccn1,IJGFSBWKUPRLAB-UHFFFAOYSA-N,2,1,0.384,93,651,446.449,4.511,6,0.368,0.8,1.0,0.31289836200397503,0.3884757727366185,0.6360770337879514,0.706985470495511,0.511109159756014
EOS-2-07860,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)cc1,VQDLGFPRNDNMKO-UHFFFAOYSA-N,2,1,0.368,69,152,446.449,4.511,6,0.393,0.81,1.0,0.25405215543828386,0.38848433966143514,0.7649749845795353,0.7958758823932561,0.5508468405181276
EOS-2-07861,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)ccc1-c1ccccn1,JBXDITOLBTVZKV-UHFFFAOYSA-N,2,1,0.364,32,327,446.449,4.511,6,0.393,0.69,1.0,0.3493506270988966,0.4169436639024056,0.6975875539716263,0.7069940374203276,0.542718970598314
EOS-2-07862,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)ccc1-c1ncccn1,QTDBFELRHRJJTB-UHFFFAOYSA-N,2,1,0.346,32,20,446.449,4.511,6,0.393,0.75,1.0,0.320248783496676,0.44353539853334245,0.6214789939003496,0.6353317113289014,0.5051487218148174
EOS-2-07863,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3cnnc(-c4ccccn4)n3)n12,GNEDBHZDEQMLCZ-UHFFFAOYSA-N,2,1,0.354,30,651,446.449,4.511,6,0.393,0.69,0.809,0.294693646768556,0.4481358371598931,0.5581351518059078,0.6582311013638544,0.4897989342745528
EOS-2-07864,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nc1,NGCZADWUCMRBDW-UHFFFAOYSA-N,2,1,0.329,30,515,446.449,4.511,6,0.368,0.68,0.993,0.2751353574121034,0.35020731958056334,0.6214875608251662,0.6669179631279556,0.4784370502364471
EOS-2-07865,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)c1,AGSXGBOEJRHREY-UHFFFAOYSA-N,2,1,0.325,42,170,446.449,4.511,6,0.393,0.74,1.0,0.30746693167020767,0.4074343773559043,0.789639161126722,0.7980861489959564,0.5756566547871976
EOS-2-07866,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)cn1,BTRLGDOCAFTMEF-UHFFFAOYSA-N,2,1,0.342,42,170,446.449,4.511,6,0.368,0.78,1.0,0.2779196079775204,0.3979679254334864,0.7937084504146391,0.7889795079158385,0.5646438729353711
EOS-2-07867,Fc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,QFOIPGSWCPAGCL-UHFFFAOYSA-N,2,1,0.36,69,152,446.449,4.511,6,0.393,0.76,1.0,0.3252347337399767,0.40285107257898706,0.7464018915769995,0.7676564320471524,0.5605360324857789
EOS-2-07868,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)ccn2)cn1,HWGPPOMNBMSGOL-UHFFFAOYSA-N,2,1,0.275,32,174,446.449,4.511,6,0.368,0.79,1.0,0.2673737235282023,0.3165650058255089,0.7210009594955795,0.7284284833116305,0.5083420430402303
EOS-2-07869,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cn3)n12,XLYBTNYGPXWMFX-UHFFFAOYSA-N,2,1,0.329,42,170,446.449,4.511,6,0.393,0.73,1.0,0.3051281611952574,0.44814440408470974,0.7937170173394559,0.7980947159207731,0.586271074635049
EOS-2-07870,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ncc(-c4cncnc4)cn3)n12,DZFKWNMDLRMHRG-UHFFFAOYSA-N,2,1,0.378,42,696,446.449,4.511,6,0.393,0.75,0.999,0.3102254814611747,0.46544102528956205,0.6867161263792749,0.7394284147762319,0.5504527619765609
EOS-2-07871,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)ccn1,HPRLTBZTUBRKQW-UHFFFAOYSA-N,2,1,0.342,32,479,446.449,4.511,6,0.368,0.74,1.0,0.29179802618052225,0.4028596395038037,0.6785946816530738,0.6902971009526421,0.5158873620725104
EOS-2-07872,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cn1,FXWOAHVYPMARAR-UHFFFAOYSA-N,2,1,0.352,32,57,446.449,4.511,6,0.368,0.79,1.0,0.2918065931053389,0.407442944280721,0.7210095264203962,0.7180368035090124,0.5345739668288672
EOS-2-07873,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)nc1,CPSJOVKQZYGLSI-UHFFFAOYSA-N,2,1,0.329,32,301,446.449,4.511,6,0.393,0.73,1.0,0.27514392433692003,0.3695771365910493,0.5874340346789116,0.6499211842916867,0.4705190699746419
EOS-2-07874,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cn1,OVUQAYVXOUMLFW-UHFFFAOYSA-N,2,1,0.36,32,57,446.449,4.511,6,0.393,0.78,1.0,0.2751524912617367,0.4074515112055377,0.6596789116578713,0.6611781235007882,0.5008652594064835
EOS-2-07875,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)nc2)cc1,LROYJMPHNASAKU-UHFFFAOYSA-N,2,1,0.338,32,327,446.449,4.511,6,0.393,0.73,1.0,0.25656226440956753,0.3884929065862518,0.6948718388047427,0.7258841066410802,0.5164527791104105
EOS-2-07876,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,NKXULGOONOFART-UHFFFAOYSA-N,2,1,0.356,69,645,446.449,4.511,6,0.393,0.75,1.0,0.27274518538825304,0.4213556301829895,0.7790076074292372,0.772462476869303,0.5613927249674457
EOS-2-07877,Fc1cc(-c2nnc3cncc(-c4cnnc(-c5cccnc5)n4)n23)ccc1-c1ccccc1,IGTAOKLEZGVDDB-UHFFFAOYSA-N,2,1,0.372,93,186,446.449,4.511,6,0.393,0.79,1.0,0.3074754985950243,0.41695223082722227,0.6360856007127681,0.715415324515112,0.5189821636625316
EOS-2-07878,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)n1,HWEURWLUGBPANJ-UHFFFAOYSA-N,2,1,0.361,69,645,446.449,4.511,6,0.393,0.74,1.0,0.28081522856555413,0.41227468987732163,0.7740816256596532,0.7748954835172367,0.5605167569049414
EOS-2-07879,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cn2)c1,FSNBLVAFKCCYFW-UHFFFAOYSA-N,2,1,0.358,32,20,446.449,4.511,6,0.393,0.73,1.0,0.22131793571379618,0.39307621136316906,0.6839318758138578,0.7154238914399287,0.503437478582688
EOS-2-07880,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)ccc1-c1cncnc1,JPXWHDBLILUNSB-UHFFFAOYSA-N,2,1,0.347,42,171,446.449,4.511,6,0.393,0.69,1.0,0.3654393119045987,0.46124323212939483,0.8164450688780756,0.8132496059214585,0.6140943047083819
EOS-2-07881,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)ccc1-c1cncnc1,XRTVYVDGUYVHMJ-UHFFFAOYSA-N,2,1,0.329,9,38,446.449,4.511,6,0.393,0.68,1.0,0.35620416695223084,0.44354396545815916,0.8084863957233911,0.8132581728462751,0.605373175245014
EOS-2-07882,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccccc6)ncn5)n34)nc2)ccn1,AYPCCAIORULEHF-UHFFFAOYSA-N,2,1,0.282,30,737,446.449,4.511,6,0.368,0.75,1.0,0.24897196902199986,0.3062418614214242,0.6624631622232884,0.6903056678774587,0.47699566513604275
EOS-2-07883,Fc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)c1,PFTXVJOHDNTUSR-UHFFFAOYSA-N,2,1,0.3,42,106,446.449,4.511,6,0.393,0.77,1.0,0.267382290453019,0.32157665684325953,0.6034713179357138,0.6726920704543897,0.4662805839215955
EOS-2-07884,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc1,ZIOSYPCXZWEZQO-UHFFFAOYSA-N,2,1,0.35,30,757,446.449,4.511,6,0.393,0.78,1.0,0.30513672812007403,0.4612517990542115,0.5312778425056541,0.6235007881570831,0.48029178945925566
EOS-2-07885,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cn1,UATQUKYVSVBXEX-UHFFFAOYSA-N,2,1,0.351,30,945,446.449,4.511,6,0.368,0.83,1.0,0.31290692892879174,0.38382393256116787,0.6269789596326503,0.6525255294359537,0.49405883763964087
EOS-2-07886,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nc1,BPKBFNJFGBEWLJ-UHFFFAOYSA-N,2,1,0.365,93,651,446.449,4.511,6,0.393,0.75,1.0,0.3471574943458296,0.4350198752655747,0.5809745733671441,0.6787745870742239,0.5104816325131931
EOS-2-07887,Fc1ccnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,NCHYPQXATUKDJB-UHFFFAOYSA-N,2,1,0.365,93,651,446.449,4.511,6,0.393,0.75,0.999,0.28622095812487147,0.40286820642862037,0.5809831402919607,0.6847371667466247,0.4887023678980193
EOS-2-07888,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)cc1,OSXKOVXTWQYPGP-UHFFFAOYSA-N,2,1,0.325,64,449,446.449,4.511,6,0.393,0.8,1.0,0.27516105818655334,0.36458261942293196,0.5970889589472963,0.6698135837159893,0.47666155506819274
EOS-2-07889,Fc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cnn2)c1,FNSURVYMXHNRQD-UHFFFAOYSA-N,2,1,0.301,69,57,446.449,4.511,6,0.393,0.66,1.0,0.337708176273045,0.39797649235830307,0.7234253992186964,0.7472328832842163,0.5515857377835652
EOS-2-07890,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cnccn6)c5)n34)cn2)c1,YAKGQQRWNZVUNB-UHFFFAOYSA-N,2,1,0.367,32,327,446.449,4.511,6,0.393,0.72,1.0,0.2621564663148516,0.38850147351106845,0.6948804057295593,0.7206925502021794,0.5165577239394147
EOS-2-07891,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccnc(-c4cccnc4)n3)n12,GNCILRSBWJQOSU-UHFFFAOYSA-N,2,1,0.337,32,20,446.449,4.511,6,0.393,0.73,1.0,0.307484065519841,0.45232506339524364,0.6034798848605305,0.6353402782537181,0.4996573230073333
EOS-2-07892,Fc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cnn2)c1,VPPITYOLFFCMNK-UHFFFAOYSA-N,2,1,0.282,30,737,446.449,4.511,6,0.393,0.62,0.998,0.2595007196216846,0.2962870947844562,0.6867246933040916,0.7420670276197656,0.4961448838324995
EOS-2-07893,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)c2)nc1,OHUXOLWPNSGMPL-UHFFFAOYSA-N,2,1,0.382,69,867,446.449,4.511,6,0.393,0.73,1.0,0.3654478788294154,0.37911212391200055,0.6675861832636557,0.6727006373792064,0.5212117058460695
EOS-2-07894,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)ccn2)cn1,MNUIFPBKQSSUGU-UHFFFAOYSA-N,2,1,0.312,42,171,446.449,4.511,6,0.368,0.71,1.0,0.3129154958536084,0.40746007813035434,0.7984116921389898,0.7889880748406553,0.576943835240902
EOS-2-07895,Fc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cnn2)cn1,SPESLQJTSMZSOX-UHFFFAOYSA-N,2,1,0.397,93,774,446.449,4.511,6,0.393,0.71,1.0,0.3051452950448907,0.3979850592831197,0.6814046329929409,0.7284370502364471,0.5282430093893495
EOS-2-07896,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)n2)nc1,NSVUDBOVGXXZNI-UHFFFAOYSA-N,2,1,0.338,32,983,446.449,4.511,6,0.393,0.7,1.0,0.3607874717291481,0.43502844219039133,0.6760674388321568,0.7127767116715784,0.5461650161058187
EOS-2-07897,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)nc5)n34)cc2)cn1,KDPUFIAUUFKFIJ-UHFFFAOYSA-N,2,1,0.338,42,106,446.449,4.511,6,0.368,0.78,1.0,0.3471660612706463,0.435037009115208,0.7180796381330957,0.7207011171269961,0.5552459564114866
EOS-2-07898,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)n1,LVRBHTSINFOHRR-UHFFFAOYSA-N,2,1,0.347,38,479,446.449,4.511,6,0.368,0.57,1.0,0.2998166678089233,0.38851004043588516,0.6299602494688507,0.6263364402714002,0.48615584949626484
EOS-2-07899,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)nn1,NIRJDFJOJBSSJD-UHFFFAOYSA-N,2,1,0.412,93,594,446.449,4.511,6,0.393,0.81,1.0,0.34935919402371324,0.42568192721540676,0.6155335480775821,0.6757504626139401,0.5165812829826606
EOS-2-07900,Fc1cc(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)cnc1-c1ccccc1,JRTQZZJTZQSRRN-UHFFFAOYSA-N,2,1,0.312,30,515,446.449,4.511,6,0.393,0.74,1.0,0.2890394763895552,0.3838324994859845,0.6124066205194983,0.6553954492495374,0.4851685114111439
EOS-2-07901,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)nc1,QTGGEFJRQDQNGE-UHFFFAOYSA-N,2,1,0.351,32,179,446.449,4.511,6,0.393,0.79,0.971,0.21320505791241176,0.3599736138715647,0.7387516277157151,0.765317661572202,0.5193119902679734
EOS-2-07902,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1,UHAULCIYTOZBEU-UHFFFAOYSA-N,2,1,0.348,32,191,446.449,4.511,6,0.368,0.68,1.0,0.3102340483859914,0.402876773353437,0.6454835172366528,0.6499297512165033,0.5021310225481461
EOS-2-07903,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1nccn1C,YHPQRIPKEFBNPB-UHFFFAOYSA-N,2,1,0.436,49,551,446.446,2.751,5,0.352,0.59,1.0,0.5903553560413953,0.3645911863477486,0.21717154410252895,0.13886985127818519,0.32774698444246453
EOS-2-07904,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)cc1CO,OURDOEYTCLLHLS-UHFFFAOYSA-N,2,1,0.465,58,954,446.446,2.235,5,0.379,0.64,1.0,0.5003169762182167,0.5102974436296347,0.24581934068946612,0.19974641902542664,0.36404504489068606
EOS-2-07905,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nn2C)cn1,AGQKWTRIWFEVGL-UHFFFAOYSA-N,2,1,0.447,95,493,446.446,2.751,5,0.352,0.71,1.0,0.3839181687341512,0.239916729490782,0.33382735933109453,0.22299705297786307,0.2951648276334727
EOS-2-07906,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nncn1C,NHLABLAOYQVAAO-UHFFFAOYSA-N,2,1,0.522,15,771,446.446,2.751,5,0.376,0.67,1.0,0.5846155164142279,0.4435525323829758,0.382376122267151,0.28529573024467136,0.4239599753272566
EOS-2-07907,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cnnn1C,WYSIIGHISLAPCY-UHFFFAOYSA-N,2,1,0.522,15,638,446.446,2.751,5,0.352,0.64,1.0,0.512764717976835,0.46126036597902814,0.4260845726817901,0.30688438078267427,0.42674850935508185
EOS-2-07908,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nncn1C,JPCDDPLKBUOYQL-UHFFFAOYSA-N,2,1,0.528,15,771,446.446,2.751,5,0.352,0.68,1.0,0.6327187992598177,0.4654495922143787,0.37493146460146665,0.27044068261256937,0.43588513467205814
EOS-2-07909,COc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccn(C)n1,HJABMAWKMGUZHK-UHFFFAOYSA-N,2,1,0.432,49,578,446.446,2.751,5,0.352,0.57,1.0,0.49762696182578303,0.34560688095401276,0.2825286135288877,0.1806764443835241,0.3266097251730519
EOS-2-07910,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ccn(C)n1,WHFRGJQHEYMQGG-UHFFFAOYSA-N,2,1,0.443,49,501,446.446,2.751,5,0.376,0.56,1.0,0.48031320677129735,0.37434891371393325,0.22088958947296278,0.14355595915290248,0.304776917277774
EOS-2-07911,COc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1cn(C)cn1,PGWLNBQAFLZHLK-UHFFFAOYSA-N,2,1,0.43,49,954,446.446,2.751,5,0.352,0.59,0.996,0.5286135288876704,0.4435610993077925,0.21383901034884517,0.1364711123295182,0.33062118771845656
EOS-2-07912,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1nncn1C,GGVXOAWGPFYUFH-UHFFFAOYSA-N,2,1,0.534,15,187,446.446,2.751,5,0.352,0.68,1.0,0.6215475292988829,0.4742906586251799,0.3635631553697485,0.2617024192995682,0.4302759406483449
EOS-2-07913,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ncnn1C,JVHWGKXREJPLHR-UHFFFAOYSA-N,2,1,0.528,15,771,446.446,2.751,5,0.352,0.69,1.0,0.6356401206223015,0.4742992255499966,0.35225481461174696,0.24376327873346584,0.42648935987937775
EOS-2-07914,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnn(CCO)c5)nc4)n23)ccc1F,MXBJEJXRFVSGCO-UHFFFAOYSA-N,2,1,0.433,92,860,446.446,2.464,5,0.405,0.69,1.0,0.3770046604071003,0.31657357275032555,0.31530566787745873,0.24079055582208211,0.31241861421424166
EOS-2-07915,COc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nncn5C)c4)n23)c1,VEIQGRICZHMCNF-UHFFFAOYSA-N,2,1,0.534,37,908,446.446,2.751,5,0.376,0.65,1.0,0.6272616681516003,0.6423480227537524,0.3860770337879515,0.30355184702899046,0.48980964293057366
EOS-2-07916,OCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)cn1,FBJWQTUEXGKXIP-UHFFFAOYSA-N,2,1,0.5,65,468,446.446,2.198,5,0.386,0.68,1.0,0.4100387225001713,0.3791206908368172,0.32258755397162636,0.29115550681927216,0.35072561853197176
EOS-2-07917,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ccn(C)n1,KHOIDDLDBZDLHP-UHFFFAOYSA-N,2,1,0.439,49,501,446.446,2.751,5,0.376,0.58,0.998,0.4729884860530464,0.3645997532725653,0.2242135563018299,0.15115482146528683,0.3032391542731821
EOS-2-07918,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1ccnn1C,NMYCDVCJPSIZHN-UHFFFAOYSA-N,2,1,0.432,49,122,446.446,3.017,5,0.392,0.65,1.0,0.3493677609485299,0.31133918168734154,0.2708604619285861,0.14849050784730314,0.27001447810294016
EOS-2-07919,OCCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)cn1,CEOUCMZPDWKJQT-UHFFFAOYSA-N,2,1,0.522,75,329,446.446,2.198,5,0.386,0.6,1.0,0.4467479953395929,0.25981769583990133,0.35971660612706463,0.31309540127475843,0.34484442464532933
EOS-2-07920,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1ncnn1C,ZSTMZLIDZYRSLC-UHFFFAOYSA-N,2,1,0.531,15,771,446.446,2.751,5,0.376,0.67,1.0,0.610376259337948,0.4654581591391954,0.34857103694057984,0.2557227057775341,0.42003204029881436
EOS-2-07921,COc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nn2C)c1,HEIPGJQWQMMTAJ-UHFFFAOYSA-N,2,1,0.463,95,493,446.446,2.751,5,0.352,0.7,1.0,0.3861884038105682,0.254900280995134,0.3597251730518813,0.2646323075868686,0.31636154136111305
EOS-2-07922,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C)n5)c(F)n4)n23)c1,CAQLSPBUNWVPBW-UHFFFAOYSA-N,2,1,0.412,31,773,446.446,2.751,5,0.352,0.56,1.0,0.4442721540675759,0.3885186073607018,0.3444760468782126,0.22925090809403056,0.35162942910013023
EOS-2-07923,COc1nc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C)n5)nc4)n23)ccc1F,XQMCEDIVOVZSNY-UHFFFAOYSA-N,2,1,0.49,58,579,446.446,2.751,5,0.376,0.61,1.0,0.5514358165992735,0.547272291138373,0.23883729696388184,0.14119148790350217,0.36968422315125765
EOS-2-07924,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ncnn1C,JBXLGKLZRYSTQI-UHFFFAOYSA-N,2,1,0.515,15,771,446.446,2.751,5,0.376,0.64,1.0,0.5706342951134261,0.44815297100952645,0.36716126379274894,0.27325063395243643,0.41479979096703445
EOS-2-07925,COc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cnn(C)c5F)c4)n23)n1,OFXAUPQHYJBDIG-UHFFFAOYSA-N,2,1,0.459,87,349,446.446,2.751,5,0.376,0.62,1.0,0.4144249880063053,0.2754780344047701,0.329869440065794,0.2086388869851278,0.3071028373654993
EOS-2-07926,OCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)cn1,PVGZNPQUJATWKI-UHFFFAOYSA-N,2,1,0.465,87,468,446.446,2.198,5,0.386,0.68,1.0,0.437461448838325,0.4169607977520389,0.27511822356247,0.25573127270235074,0.3463179357137962
EOS-2-07927,COc1nc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1nc(C)cn1C,GYDBFHQJPJSQOI-UHFFFAOYSA-N,2,1,0.447,49,551,446.446,3.017,5,0.392,0.64,0.967,0.41443355493112194,0.35998218079638133,0.1863734493866082,0.1190374203275992,0.2699566513604276
EOS-2-07928,COCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cn2)cn1,JDARWNFQLJVLGH-UHFFFAOYSA-N,2,1,0.408,92,468,446.446,2.809,5,0.335,0.74,1.0,0.3178671783976424,0.265009252278802,0.3749400315262833,0.29418819820437253,0.31300116510177506
EOS-2-07929,COc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)ccc1F,INXVAZVHQYRONU-UHFFFAOYSA-N,2,1,0.638,91,447,446.446,2.751,5,0.376,0.76,1.0,0.6931070522925091,0.6573315742581043,0.38975224453430196,0.3131039681995751,0.5133237098211226
EOS-2-07930,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)nn2C)cn1,ZLYCMBXLZZFAQP-UHFFFAOYSA-N,2,1,0.473,95,493,446.446,2.751,5,0.376,0.69,1.0,0.3562127338770475,0.24491124665889932,0.34078370228222876,0.23792920293331507,0.2949592214378727
EOS-2-07931,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1nccn1C,HFOQJOJGSMFXID-UHFFFAOYSA-N,2,1,0.449,49,551,446.446,2.751,5,0.376,0.63,0.999,0.5962836680145295,0.3885271742855185,0.17350592831197315,0.12368926050304982,0.3205015077787677
EOS-2-07932,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncnn1C,SQCVOHVVRMVUAW-UHFFFAOYSA-N,2,1,0.516,15,771,446.446,2.751,5,0.376,0.65,1.0,0.5787471729148105,0.4523336303200603,0.3749485984511,0.2704492495373861,0.41911966280583923
EOS-2-07933,COc1cnc(COc2cncc3nnc(-c4ccc(-c5cn(C)nc5C)nc4)n23)cc1F,HFVYDKZGFSOBBB-UHFFFAOYSA-N,2,1,0.473,92,860,446.446,3.017,5,0.392,0.74,1.0,0.43747001576314165,0.45678843122472756,0.37495716537591667,0.22300561990267972,0.3730553080666164
EOS-2-07934,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccn(C)n1,YCPLMTIKEKBFHP-UHFFFAOYSA-N,2,1,0.441,49,773,446.446,2.751,5,0.352,0.56,1.0,0.49506545130559937,0.35507333287643067,0.2708690288534028,0.1723408265369063,0.32333715989308476
EOS-2-07935,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccnn1C,JZFNOTARBALWIA-UHFFFAOYSA-N,2,1,0.473,49,773,446.446,2.751,5,0.352,0.58,1.0,0.4678483311630457,0.3165821396751422,0.28253718045370435,0.18068501130834075,0.3119131656500583
EOS-2-07936,COc1cc(-c2nnc3cncc(OCc4nc(C)ccc4F)n23)ccc1-c1cnnn1C,MAAGRYDAMKOZFZ-UHFFFAOYSA-N,2,1,0.438,36,638,446.446,3.017,5,0.392,0.71,1.0,0.4033993557672538,0.4256904941402234,0.38608560071276815,0.25854979096703445,0.36843131039682
EOS-2-07937,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4ccnc(CO)n4)n23)ccc1F,IHPLXUPJOOBXGV-UHFFFAOYSA-N,2,1,0.473,4,677,446.446,2.501,5,0.423,0.74,0.961,0.40771708587485433,0.4788482626276472,0.3338359262559112,0.2525101089712837,0.3682278459324241
EOS-2-07938,COc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5ncc(F)n5C)c4)n23)n1,VQXLJUKONRFMQY-UHFFFAOYSA-N,2,1,0.488,15,921,446.446,2.751,5,0.376,0.61,1.0,0.5462956617092728,0.4481615379343431,0.1735144952367898,0.11683572064971558,0.3212018538825303
EOS-2-07939,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5cc(CO)n(C)n5)c4)n23)c1F,DYALBDIPOUUWAP-UHFFFAOYSA-N,2,1,0.432,75,606,446.446,2.501,5,0.423,0.57,1.0,0.40128332533753686,0.3838410664108012,0.38238468919196766,0.2732592008772531,0.3601920704543897
EOS-2-07940,N#CCc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)cc2)cc1,XEGNCSQOBWCWIC-UHFFFAOYSA-N,2,1,0.506,79,528,446.445,5.327,5,0.362,0.81,1.0,0.9270954698101569,0.9414279350284422,0.9745562332944966,0.967197244876979,0.9525692207525187
EOS-2-07941,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2)n1,BYARGHGCKNENBO-UHFFFAOYSA-N,2,1,0.307,38,270,453.556,5.409,6,0.355,0.67,1.0,0.03978479884860531,0.11164416421081488,0.3972226029744363,0.414741964224522,0.24084838256459462
EOS-2-07942,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cc2)s1,LLFGRILKQKGGOK-UHFFFAOYSA-N,2,1,0.325,69,898,453.556,5.409,6,0.355,0.76,1.0,0.06223014186827496,0.16525597971352204,0.33384449318072784,0.347842848331163,0.22729336577342196
EOS-2-07943,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)c1,PEFKEVAHXIRDFM-UHFFFAOYSA-N,2,1,0.277,76,653,453.556,5.409,6,0.355,0.65,0.967,0.0412240422178055,0.08617469673086149,0.3407922692070454,0.3988503186896032,0.2167603317113289
EOS-2-07944,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)s4)n23)c(-c2ccccn2)n1,HXUUTKPXXJHDBS-UHFFFAOYSA-N,2,1,0.284,76,368,453.556,5.409,6,0.355,0.56,1.0,0.053303406209307104,0.14226235350558564,0.26030601055445135,0.282340141182921,0.1845529778630663
EOS-2-07945,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccnc(-c5cncs5)c4)n23)s1,CLTKJEIODWDGSI-UHFFFAOYSA-N,2,1,0.303,30,299,453.556,5.409,6,0.355,0.67,1.0,0.051718525118223564,0.0922914810499623,0.21046364197107806,0.27636042766088686,0.1577085189500377
EOS-2-07946,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)cs1,MIAFWNVSPFIQIL-UHFFFAOYSA-N,2,1,0.314,9,894,453.556,5.409,6,0.355,0.79,1.0,0.04123260914262217,0.11747824001096567,0.4758327050921801,0.4744705640463299,0.2772535295730245
EOS-2-07947,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)s2)nn1,OOMHSTXZRCIWAB-UHFFFAOYSA-N,2,1,0.292,76,541,453.556,5.409,6,0.355,0.63,1.0,0.04124117606743883,0.045850181618806114,0.24582790761428278,0.31311253512439174,0.16150795010622987
EOS-2-07948,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)c(-c2ccccc2)n1,ZHIBINFIQTWBAO-UHFFFAOYSA-N,2,1,0.311,30,653,453.556,5.409,6,0.355,0.57,0.909,0.0469981495442396,0.10503049825234734,0.282545747378521,0.34462168460009596,0.19479901994380097
EOS-2-07949,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)s5)n34)cc2)nn1,WNSNMJNULRVKCJ-UHFFFAOYSA-N,2,1,0.314,38,270,453.556,5.409,6,0.355,0.7,1.0,0.05499965732300734,0.16917106435473922,0.3934274552806525,0.38984648070728534,0.2518611644164211
EOS-2-07950,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4)n23)s1,FGQRYRUJZDYSDY-UHFFFAOYSA-N,2,1,0.292,32,299,453.556,5.409,6,0.355,0.67,1.0,0.04855732986087314,0.10846583510383113,0.19990919059694331,0.2677506682201357,0.15617075594544583
EOS-2-07951,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)s2)s1,WYADEQMCDDCXBX-UHFFFAOYSA-N,2,1,0.284,30,301,453.556,5.409,6,0.355,0.73,0.996,0.05009080940305668,0.11165273113563155,0.20346446439586047,0.285304297169488,0.16262807552600916
EOS-2-07952,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)cc2)s1,HJRBGPJADIZYCH-UHFFFAOYSA-N,2,1,0.312,32,126,453.556,5.409,6,0.355,0.73,1.0,0.05688438078267425,0.1017664998971969,0.24583647453909943,0.28813138235898844,0.17315468439448978
EOS-2-07953,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)cs1,GMPYLJICARAWED-UHFFFAOYSA-N,2,1,0.329,38,532,453.556,5.409,6,0.355,0.75,1.0,0.06962339798505929,0.16135802892193818,0.4224179288602563,0.40191727777397024,0.26382915838530596
EOS-2-07954,COc1cc(-c2nnc3cncc(OCCc4cncc(C)c4F)n23)ccc1-c1ncco1,YHLSPVZWZGGMOA-UHFFFAOYSA-N,2,1,0.511,35,777,446.442,3.919,5,0.371,0.61,1.0,0.8743317798642999,0.5859690905352615,0.5843071071208279,0.41781749023370574,0.6156063669385237
EOS-2-07955,N#Cc1ccc(COc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)c(F)c1F,YUKHKCDKJNFIMV-UHFFFAOYSA-N,2,1,0.512,97,91,446.442,4.644,5,0.391,0.75,1.0,0.8384963333561785,0.7342197244876979,0.9435096977588925,0.92495373860599,0.8602948735521897
EOS-2-07956,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cn2)nn1,QDGATPUSQLFXRL-UHFFFAOYSA-N,2,1,0.279,86,513,446.438,2.261,6,0.393,0.68,1.0,0.09615516414227948,0.09555547940511275,0.10509046672606401,0.10108114591186347,0.09947056404632992
EOS-2-07957,CS(=O)(=O)c1ccccc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,BIKVMFAYFXXTMF-UHFFFAOYSA-N,2,1,0.794,48,576,446.435,3.375,4,0.429,0.8,1.0,0.8430453704338291,0.8032605715852238,0.8180299499691591,0.7798557329860873,0.8110479062435748
EOS-2-07958,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(C#N)c6)c5)n34)cn2)n1,MCLLIGWXZZRNQB-UHFFFAOYSA-N,2,1,0.291,10,195,446.434,3.269,6,0.399,0.71,1.0,0.07979233774244397,0.13484339661435132,0.322596120896443,0.3252604345144267,0.21562307244191625
EOS-2-07959,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5nnc6ncccn56)cc4)n23)n1,ODMBXUOKHDYWPY-UHFFFAOYSA-N,2,1,0.506,40,415,446.434,2.742,6,0.392,0.67,1.0,0.601792200671647,0.5195839901309026,0.27087759577821946,0.28234870810773766,0.41865062367212663
EOS-2-07960,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)c1,SSCKACFQKSOWFL-UHFFFAOYSA-N,2,1,0.724,57,485,446.432,5.497,5,0.346,0.78,1.0,0.9571225412925776,0.9811527654033309,0.9762610513330136,0.9795250496881639,0.9735153519292715
EOS-2-07961,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cc4)n23)cc1,WILSHCYPTPKUHL-UHFFFAOYSA-N,2,1,0.671,79,650,446.432,6.056,5,0.33,0.84,1.0,0.9873038174216983,0.9516568432595436,0.994817010485916,0.9911932012884654,0.9812427181139058
EOS-2-07962,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)cc1,XMCOMTASUQMBSX-UHFFFAOYSA-N,2,1,0.613,79,650,446.432,6.056,5,0.33,0.79,1.0,0.9826005756973477,0.9474847508738263,0.9938061133575492,0.9894284147762319,0.9783299636762388
EOS-2-07964,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,JBECXBVVRIWXJV-UHFFFAOYSA-N,2,1,0.74,57,497,446.432,5.497,5,0.346,0.76,1.0,0.9948855458844493,0.9958621753135495,0.9776745939277637,0.980141868274964,0.9871410458501817
EOS-2-07965,Fc1ccc(-c2cc(CCOc3cncc4nnc(-c5ccc(F)cc5)n34)ccc2F)cc1,PEDWNTKZNLYSDM-UHFFFAOYSA-N,2,1,0.821,83,497,446.432,5.497,5,0.346,0.76,1.0,0.9974641902542664,0.9985864574052498,0.977023507641697,0.9811270646288808,0.9885503049825235
EOS-2-07966,COc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,SSWWMKBFOLDBLZ-UHFFFAOYSA-N,2,1,0.418,83,472,446.432,6.153,5,0.332,0.8,1.0,0.6018007675964636,0.7248218079638133,0.9951425536289493,0.9894369817010485,0.8278005277225687
EOS-2-07967,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccc(F)c5)c(F)c4)n23)cc1,URUMAPPMJYEHSK-UHFFFAOYSA-N,2,1,0.764,57,497,446.432,5.497,5,0.346,0.79,1.0,0.9951596874785826,0.9984750873826331,0.9756185319717634,0.9798163251319306,0.9872674079912275
EOS-2-07969,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)c2)cc1,XLDHRTMECMCRII-UHFFFAOYSA-N,2,1,0.68,57,497,446.432,5.497,5,0.346,0.76,1.0,0.973202659173463,0.9825748749228976,0.97490747721198,0.9791309711465972,0.9774539956137345
EOS-2-07970,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2F)cc1,UWWFSWHXVHWWAV-UHFFFAOYSA-N,2,1,0.743,57,497,446.432,5.497,5,0.346,0.79,1.0,0.9901651703104654,0.995459529847166,0.9753358234528133,0.9798248920567473,0.985196353916798
EOS-2-07971,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,FGBXZDMBRKUPPB-UHFFFAOYSA-N,2,1,0.671,79,650,446.432,6.056,5,0.33,0.85,1.0,0.9766893975738469,0.9538071413885272,0.9948255774107326,0.9909961620176821,0.9790795695976973
EOS-2-07972,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)c4)n23)cc1,YWJVQVDIKGNMDU-UHFFFAOYSA-N,2,1,0.653,79,650,446.432,6.056,5,0.33,0.8,1.0,0.9836971420738811,0.9496350490028099,0.9945343019669659,0.9907819888972654,0.9796621204852306
EOS-2-07973,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1F,FTBVIUUITAGKEM-UHFFFAOYSA-N,2,1,0.703,57,650,446.432,5.497,5,0.324,0.75,1.0,0.9916301144541155,0.9908933589198822,0.9739051470084299,0.9748132410389967,0.9828104653553562
EOS-2-07975,COc1cc(-c2nnc3cncc(OCc4cncnc4OC)n23)ccc1-c1nnnn1C,MDVRZYRMJFKLCU-UHFFFAOYSA-N,2,1,0.467,36,375,446.431,1.368,5,0.358,0.71,1.0,0.2862295250496882,0.0955640463299294,0.052172572133506956,0.017742101295319033,0.11292706120211089
EOS-2-07976,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)s5)n34)c(F)c2)no1,QEGKNLWGAYEHQZ-UHFFFAOYSA-N,2,1,0.333,76,653,446.427,4.067,6,0.394,0.68,1.0,0.37466588993214994,0.47885682955246384,0.22422212322664656,0.25251867589610033,0.33256587965184015
EOS-2-07977,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnco5)n34)nc2OC)cn1,VLTBDCFCKDTYCQ-UHFFFAOYSA-N,2,1,0.416,65,840,446.427,2.27,5,0.347,0.55,0.999,0.3654564457542321,0.05317490233705709,0.08306490302241107,0.02600918374340347,0.1319263587142759
EOS-2-07978,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1noc(=O)n1C,ZSGWGSVMDMPELZ-UHFFFAOYSA-N,2,1,0.478,20,604,446.427,1.565,5,0.362,0.64,1.0,0.33530943732437807,0.1422709204304023,0.04513912685902269,0.026017750668220135,0.13718430882050578
EOS-2-07979,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(OC)c4)n23)n1,MUVLMMXRVKOQJJ-UHFFFAOYSA-N,2,1,0.483,20,604,446.427,2.27,5,0.347,0.69,1.0,0.4780601055445137,0.17368583373312316,0.11020492084161469,0.0469981495442396,0.20223725241587281
EOS-2-07980,FCc1cc(-c2nc(-c3nnc4cncc(OCCc5cncnc5)n34)ccc2F)ccn1,SXGSWSIGVFWCGC-UHFFFAOYSA-N,2,1,0.413,18,361,446.421,3.268,5,0.375,0.69,0.999,0.659738880131588,0.5753375368377767,0.4371187718456583,0.4275409499006237,0.5249340346789116
EOS-2-07981,Cc1cnc(F)c(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)n1,ZILCPOMSNOACKN-UHFFFAOYSA-N,2,1,0.479,65,904,446.421,3.246,5,0.392,0.64,1.0,0.7537780138441506,0.6768041943663903,0.5181361798368858,0.4714978411349462,0.6050540572955931
EOS-2-07982,Cc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3ccc(-c4ncccn4)cn3)n12,LKBDIBIQMRTYDL-UHFFFAOYSA-N,2,1,0.517,27,69,446.421,3.863,5,0.387,0.68,1.0,0.6721352203413062,0.6330100747035844,0.555162428894524,0.4213299294085395,0.5704094133369886
EOS-2-07983,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2)cc1F,QKDKJDQAWABZBQ-UHFFFAOYSA-N,2,1,0.438,54,411,446.421,3.246,5,0.392,0.64,0.427,0.7084675484887945,0.6095367007059146,0.4586474539099445,0.45271914193681034,0.5573427112603659
EOS-2-07984,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ccn2)cn1,JTDSXDVGZHBXPQ-UHFFFAOYSA-N,2,1,0.511,75,530,446.421,3.246,5,0.392,0.59,1.0,0.7884312247275718,0.6816530738126242,0.5614505517099582,0.49870639435268316,0.6325603111507094
EOS-2-07985,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)c(C)n1,XBWHRTLOCVGVFM-UHFFFAOYSA-N,2,1,0.43,55,564,446.421,3.512,5,0.404,0.65,1.0,0.8103882530326914,0.6866732917551915,0.5809917072167775,0.4836286066753478,0.640420464670002
EOS-2-07986,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ncc5F)n34)ccn2)cn1,UVVNVACLUHKGRM-UHFFFAOYSA-N,2,1,0.533,75,454,446.421,3.246,5,0.366,0.6,1.0,0.8208827359331095,0.7737475155918032,0.597097525872113,0.512584812555685,0.6760781474881776
EOS-2-07987,Cc1nc(-c2ncccc2F)cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)n1,RKGFUERLQMNBCA-UHFFFAOYSA-N,2,1,0.374,46,330,446.421,3.512,5,0.404,0.69,0.997,0.6415427318209855,0.487569392091015,0.42609313960660683,0.3862569392091015,0.4853655506819272
EOS-2-07988,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4ncccn4)n23)n1,QRYMBSKDKOOGSD-UHFFFAOYSA-N,2,1,0.441,44,531,446.421,3.246,5,0.392,0.66,1.0,0.6690168597080393,0.6000274141594133,0.37105921458433283,0.3862655061339182,0.5065922486464258
EOS-2-07989,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c(F)nc1F,OQTJQXOSJZFQQV-UHFFFAOYSA-N,2,1,0.5,65,858,446.421,3.246,5,0.392,0.59,1.0,0.7770971831951203,0.6377818518264684,0.4261017065314235,0.3770217942567336,0.5545006339524364
EOS-2-07990,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)cnc1F,HIXBWVJJTIOABZ-UHFFFAOYSA-N,2,1,0.485,87,699,446.421,3.246,5,0.392,0.58,1.0,0.7596120896443013,0.8186210677815091,0.3485796038653965,0.33182269892399424,0.5646588650538003
EOS-2-07991,Cc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)nc(C)n4)n23)n1,PMIVCOASEWPWJQ-UHFFFAOYSA-N,2,1,0.389,44,531,446.421,3.512,5,0.404,0.68,1.0,0.6187718456582825,0.5953070385854293,0.42611027345624014,0.39885888561441984,0.509762010828593
EOS-2-07992,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)n1,RZJIWDDEKGIYIA-UHFFFAOYSA-N,2,1,0.556,37,626,446.421,3.246,5,0.366,0.69,1.0,0.9642673565896785,0.916960797752039,0.5483260228908231,0.4895312178740319,0.7297713487766432
EOS-2-07993,CCc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ncc(F)cn1,RAUHLVKULMNYET-UHFFFAOYSA-N,2,1,0.411,46,717,446.421,3.458,5,0.391,0.62,0.983,0.7084761154136111,0.5657768487423754,0.34080083613186213,0.3413576862449455,0.48910287163319854
EOS-2-07994,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(CF)nc5)cnn4)n23)c1F,ILPYNFURIQBNAS-UHFFFAOYSA-N,2,1,0.384,53,207,446.421,3.534,5,0.39,0.62,1.0,0.5489856761017066,0.46126893290384485,0.5810002741415942,0.502450140497567,0.5234262559111782
EOS-2-07995,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4F)n23)ccn1,JQMFWICRRNMCQS-UHFFFAOYSA-N,2,1,0.517,58,262,446.421,3.246,5,0.366,0.69,1.0,0.8895552052635186,0.8439448975395792,0.4043759851963539,0.3640172023850319,0.6254733225961209
EOS-2-07996,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cnc1F,VURLGZLJKMKXOD-UHFFFAOYSA-N,2,1,0.5,65,904,446.421,3.246,5,0.392,0.61,1.0,0.8359519566856282,0.8599993146460146,0.4726972106092797,0.4242341169213899,0.6482206497155782
EOS-2-07997,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)ncc1F,OXMVHHRIDGUSPG-UHFFFAOYSA-N,2,1,0.505,75,420,446.421,3.246,5,0.392,0.59,1.0,0.8286529367418272,0.6965166883695428,0.3710677815091495,0.35736926872729763,0.5634016688369543
EOS-2-07998,Cc1ncc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(-c2ncccn2)n1,BODOEXQERRHFFS-UHFFFAOYSA-N,2,1,0.5,27,770,446.421,3.863,5,0.387,0.78,1.0,0.9061150709341375,0.6965252552943595,0.5551709958193407,0.48649852648893155,0.6610774621341924
EOS-2-07999,Cc1cc(F)c(-c2cc(-c3nnc4cncc(OCCc5ncc(F)cn5)n34)ccn2)cn1,JEOWFSFYBVOJAE-UHFFFAOYSA-N,2,1,0.484,75,795,446.421,3.246,5,0.392,0.63,1.0,0.779812898362004,0.6670464670002056,0.4334435610993078,0.4116064697416216,0.5729773490507848
EOS-2-08000,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(F)n5)n34)cn2)cn1,QRRJAXYIIZIAGH-UHFFFAOYSA-N,2,1,0.464,87,282,446.421,3.246,5,0.366,0.67,1.0,0.8208913028579261,0.8537625933794805,0.4931892947707491,0.43690459872524157,0.6511869474333494
EOS-2-08001,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)ncn2)cn1,LAHDSPLBEPOENB-UHFFFAOYSA-N,2,1,0.484,44,194,446.421,3.246,5,0.392,0.63,1.0,0.6902114317044754,0.6144027140017819,0.5971060927969296,0.5390137756151052,0.6101835035295731
EOS-2-08002,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)cc1,UESKXFKRJMNWSO-UHFFFAOYSA-N,2,1,0.675,1,996,446.417,4.429,5,0.366,0.85,1.0,0.9642759235144952,0.8537711603042971,0.9080511959427044,0.8554674114179974,0.8953914227948736
EOS-2-08003,COc1cc(F)ccc1COc1cncc2nnc(-c3ccc(-c4cnccn4)c(F)c3)n12,IEYSONGKRHLWDF-UHFFFAOYSA-N,2,1,0.547,97,89,446.417,4.114,5,0.388,0.66,1.0,0.9442207525186759,0.8370313892125283,0.8829672400795011,0.8174131313823589,0.8704081282982661
EOS-2-08004,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)cn1,CFGVRLGXQXMQJN-UHFFFAOYSA-N,2,1,0.736,97,96,446.417,4.114,5,0.388,0.76,1.0,0.9740764855047632,0.8955349187855527,0.8655763827016654,0.7864693989445548,0.8804142964841339
EOS-2-08005,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nc2)cn1,GDMQIGTUZYGSJE-UHFFFAOYSA-N,2,1,0.595,59,294,446.417,4.114,5,0.388,0.8,1.0,0.8762936056473168,0.7780138441505038,0.8684548694400658,0.7889966417654719,0.8279397402508395
EOS-2-08006,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)cc1,UVFOHOCITQIUAV-UHFFFAOYSA-N,2,1,0.724,1,431,446.417,4.429,5,0.366,0.82,1.0,0.9258361318621068,0.847483037488863,0.9135597285998218,0.8747258584058666,0.8904011890891645
EOS-2-08007,OCc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)c(F)cn4)n23)cc1,WFYCBBPQMUDKLO-UHFFFAOYSA-N,2,1,0.495,97,744,446.417,3.598,5,0.398,0.7,1.0,0.8743403467891165,0.782391542731821,0.8982592008772531,0.8572150640805977,0.8530515386196971
EOS-2-08008,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cccnc1,ZXNJBMOXIXOZEN-UHFFFAOYSA-N,2,1,0.566,59,294,446.417,4.114,5,0.388,0.81,1.0,0.8783411006785005,0.6866818586800082,0.8180385168939758,0.7444571996436159,0.781879668974025
EOS-2-08009,OC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cc1,RQDKQEJDFNJORC-UHFFFAOYSA-N,2,1,0.561,1,988,446.417,3.869,5,0.423,0.68,1.0,0.9137739017202385,0.72483037488863,0.9794822150640806,0.9511513946953601,0.8923094715920774
EOS-2-08010,COc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)ccn1,QEPQACQKLJCGBJ-UHFFFAOYSA-N,2,1,0.461,59,153,446.417,4.114,5,0.388,0.77,1.0,0.7358131725035981,0.6768127612912069,0.8597851415255979,0.7890052086902886,0.7653540710026729
EOS-2-08011,Fc1ccc(CCOc2cncc3nnc(-c4cnc(Oc5ccccc5)c(F)c4)n23)nc1,VTBOYAOUMMHZAH-UHFFFAOYSA-N,2,1,0.511,11,881,446.417,4.273,5,0.369,0.71,1.0,0.7911812075937221,0.7866321705160716,0.6760760057569735,0.6439586046192859,0.7244619971215132
EOS-2-08012,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5)n34)cn2)cc1,BAULNFWKOUGKGY-UHFFFAOYSA-N,2,1,0.623,1,996,446.417,4.429,5,0.366,0.81,1.0,0.8996898773216366,0.7909241998492221,0.9135682955246385,0.8687118771845658,0.8682235624700158
EOS-2-08013,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cncnc1,FDVBWOAGSKTWJQ-UHFFFAOYSA-N,2,1,0.511,97,83,446.417,4.114,5,0.388,0.68,1.0,0.9548009046672606,0.8370399561373449,0.9135768624494551,0.8554759783428141,0.8902234253992187
EOS-2-08014,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1ccnnc1,RWCPWVPFWCIWEJ-UHFFFAOYSA-N,2,1,0.523,43,521,446.417,4.114,5,0.388,0.62,1.0,0.8949780686724693,0.8370485230621616,0.9126687684188883,0.8638886985127818,0.8771460146665753
EOS-2-08015,COc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)cn1,ZRJUBNHZXLYVRT-UHFFFAOYSA-N,2,1,0.452,97,700,446.417,4.114,5,0.388,0.81,1.0,0.7940425604824892,0.7342282914125146,0.7720426975532863,0.6960455075046261,0.749089764238229
EOS-2-08016,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cncnc1,KXVUDZIEVCLEGT-UHFFFAOYSA-N,2,1,0.667,59,96,446.417,4.114,5,0.388,0.73,1.0,0.9736738400383799,0.8770731958056336,0.9192481666780893,0.8638972654375985,0.9084731169899254
EOS-2-08017,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cn4)n23)cc1,MVXOXHYAEKYUNQ-UHFFFAOYSA-N,2,1,0.829,1,996,446.417,4.429,5,0.366,0.79,1.0,0.8129668974025084,0.8186296347063258,0.9071002672880543,0.8605390309094647,0.8498089575765884
EOS-2-08018,COc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccc(F)cc1,QEUHTKYOLSBXGU-UHFFFAOYSA-N,2,1,0.472,34,560,446.417,4.114,5,0.388,0.79,1.0,0.7268350352957302,0.6768213282160236,0.7414330751833322,0.6875385511616751,0.7081569974641903
EOS-2-08019,COc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1ccccc1,ISBZGIWUBLMQGL-UHFFFAOYSA-N,2,1,0.435,1,700,446.417,4.114,5,0.388,0.74,1.0,0.6444297854842026,0.5907151668836954,0.7210180933452128,0.6582396682886711,0.6536006785004455
EOS-2-08020,COc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)n2)cn1,HVKRAQBTHJUOCZ-UHFFFAOYSA-N,2,1,0.511,34,436,446.417,4.114,5,0.388,0.8,1.0,0.7712802412446028,0.8568124186142142,0.7917123569323555,0.7070026043451443,0.7817019052840792
EOS-2-08021,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2F)n[nH]1,FEKDJWUJRAYJLR-UHFFFAOYSA-N,2,1,0.647,91,273,446.417,3.441,5,0.429,0.73,1.0,0.8677352477554657,0.7157408676581455,0.8146717154410252,0.8154427386745254,0.8033976423822905
EOS-2-08022,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cn1,LNSKNEOAMHOOAH-UHFFFAOYSA-N,2,1,0.641,59,294,446.417,4.114,5,0.388,0.78,1.0,0.9152388458638887,0.8822390514700843,0.8711962853813995,0.7864779658693716,0.8637880371461861
EOS-2-08023,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ncccn5)cc4)n23)cc1F,PTKAYWXEBIGQAG-UHFFFAOYSA-N,2,1,0.747,91,781,446.417,4.273,5,0.369,0.75,1.0,0.9384466451922417,0.9225121650332396,0.8292954561030772,0.7547889109725173,0.861260794325269
EOS-2-08024,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)nn1,UOTQLOQKQFMOMJ-UHFFFAOYSA-N,2,1,0.716,43,96,446.417,4.114,5,0.388,0.76,1.0,0.9766979644986635,0.9399287231855253,0.862749297512165,0.7910955383455555,0.8926178808854773
EOS-2-08025,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cc2)n[nH]1,XJBKKTFIIGSGNV-UHFFFAOYSA-N,2,1,0.552,91,273,446.417,3.441,5,0.429,0.71,1.0,0.8996984442464533,0.747883969570283,0.82530326913851,0.8154513055993421,0.8220842471386471
EOS-2-08026,COc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cn2)ccn1,OIMURDIHKUCNBX-UHFFFAOYSA-N,2,1,0.483,59,109,446.417,4.114,5,0.388,0.72,1.0,0.8079295456103077,0.7909327667740388,0.8612843533685148,0.7864865327941882,0.8116582996367624
EOS-2-08027,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)cc5F)n4)n23)cc1,HIDOELHYAWCDIO-UHFFFAOYSA-N,2,1,0.517,97,929,446.417,3.598,5,0.426,0.77,1.0,0.894986635597286,0.8186382016311425,0.8612929202933315,0.8393615927626619,0.8535698375711055
EOS-2-08028,COc1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)n1,DUUBUKXIKOVYFK-UHFFFAOYSA-N,2,1,0.547,97,146,446.417,4.114,5,0.388,0.73,1.0,0.9077427866493044,0.890317661572202,0.8309831402919607,0.7702093756425193,0.8498132410389967
EOS-2-08029,COc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ncc2F)cn1,SITHKLUZHAAFKC-UHFFFAOYSA-N,2,1,0.536,97,71,446.417,4.114,5,0.388,0.7,1.0,0.8722328832842163,0.882247618394901,0.8489222808580632,0.7749040504420533,0.8445767082448086
EOS-2-08030,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)nc4)n23)cc1,LQWHIVUGADFCMV-UHFFFAOYSA-N,2,1,0.757,1,640,446.417,4.429,5,0.366,0.79,1.0,0.970007196216846,0.8876533479542184,0.8537454595298472,0.80021074635049,0.8779041875128504
EOS-2-08031,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)nn1,WJGMGGVVQACYMQ-UHFFFAOYSA-N,2,1,0.688,43,96,446.417,3.598,5,0.426,0.72,1.0,0.9321156877527242,0.887661914879035,0.869817010485916,0.8353522719484614,0.8812367212665342
EOS-2-08032,COc1cc(-c2nnc3cncc(OCc4ncccc4F)n23)ccc1-c1ccc(F)nc1,BJSOBXKQVRUMCV-UHFFFAOYSA-N,2,1,0.5,97,83,446.417,4.114,5,0.363,0.67,1.0,0.847662942910013,0.7737560825166199,0.837631073949695,0.7626704818038517,0.805430145295045
EOS-2-08033,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)cc1,DTZABDOEISTSHN-UHFFFAOYSA-N,2,1,0.608,1,528,446.417,4.95,5,0.365,0.78,1.0,0.9485384826262765,0.8849719004866013,0.897231169899253,0.8431910081557125,0.8934831402919609
EOS-2-08034,FC(F)Oc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1cccnc1,XFLYZKKHKIJVMJ-UHFFFAOYSA-N,2,1,0.74,1,83,446.417,4.429,5,0.366,0.66,1.0,0.7329175519155644,0.7695154547323693,0.8876447810294017,0.8334247138647112,0.8058756253855117
EOS-2-08035,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cc2F)cn1,MXGOLBNATGHEPH-UHFFFAOYSA-N,2,1,0.573,97,71,446.417,4.114,5,0.388,0.71,1.0,0.7856641080117881,0.7780224110753204,0.8471403604961962,0.767664998971969,0.7946229696388185
EOS-2-08036,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)cc1,SHUCFOQZZGYSCH-UHFFFAOYSA-N,2,1,0.679,1,700,446.417,4.429,5,0.366,0.74,1.0,0.8612672195188815,0.8226817901446097,0.8552275375231307,0.8110050716194914,0.8375454047015284
EOS-2-08037,COc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ncccc1C,PYBSFXXQZIHAJR-UHFFFAOYSA-N,2,1,0.392,13,703,446.417,4.636,5,0.389,0.74,0.998,0.7358217394284148,0.6476081145911864,0.6923017613597423,0.6087571105475978,0.6711221814817354
EOS-2-08038,COc1nc(COc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)ccc1F,IAULIMSDTXBSFI-UHFFFAOYSA-N,2,1,0.5,1,92,446.417,4.114,5,0.388,0.75,1.0,0.7268436022205469,0.7202813378109794,0.7439517510794326,0.6554040161743541,0.7116201768213283
EOS-2-08039,FC(F)Oc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccccn5)n34)c2)cc1,BDXZORGTFZNXPB-UHFFFAOYSA-N,2,1,0.718,1,996,446.417,4.429,5,0.366,0.85,1.0,0.5463042286340896,0.6527054348571036,0.872549859502433,0.8313001165101775,0.725714909875951
EOS-2-08040,COc1nc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1ccccn1,VDZDZXWERKLMML-UHFFFAOYSA-N,2,1,0.452,49,703,446.417,4.114,5,0.388,0.73,0.999,0.8079381125351244,0.6816616407374408,0.7414416421081489,0.6757590295387568,0.7267001062298677
EOS-2-08041,COc1cccc(F)c1COc1cncc2nnc(-c3ccnc(-c4cccnc4F)c3)n12,VWRXDIQSFQNHMT-UHFFFAOYSA-N,2,1,0.484,97,183,446.417,4.114,5,0.363,0.75,1.0,0.8565211431704476,0.7016654101843602,0.8376396408745117,0.7574703584401343,0.7883241381673634
EOS-2-08042,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccccc5)n4)n23)cc1,AUKAAPHWTFIYFJ-UHFFFAOYSA-N,2,1,0.671,1,640,446.417,4.429,5,0.366,0.86,1.0,0.9092505654170379,0.8742032759920499,0.814680282365842,0.7724710437941197,0.8426512918922624
EOS-2-08043,COc1ncccc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccn1,BZVSXXYXMJBJMC-UHFFFAOYSA-N,2,1,0.494,97,332,446.417,4.114,5,0.388,0.7,1.0,0.7911897745185388,0.6916249742992255,0.8006305256665067,0.7180453704338291,0.7503726612295251
EOS-2-08044,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)ccn2)cn1,BPVKALIEGLNFCV-UHFFFAOYSA-N,2,1,0.5,59,183,446.417,3.598,5,0.426,0.65,1.0,0.7940511274073059,0.6866904256048249,0.8777071482420671,0.8431995750805291,0.8004120690836818
EOS-2-08045,COc1cc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)ccc1-c1ccnc(F)n1,DPEVAEFECNXKGX-UHFFFAOYSA-N,2,1,0.6,1,383,446.417,4.114,5,0.363,0.77,1.0,0.9732112260982798,0.9151446096909054,0.8552361044479474,0.7676735658967857,0.8778163765334795
EOS-2-08046,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)nn4)n23)cc1,FJOXTFRWGPOMLI-UHFFFAOYSA-N,2,1,0.548,79,881,446.417,4.89,5,0.352,0.76,1.0,0.8407065999588788,0.7478925364950997,0.855244671372764,0.7958844493180728,0.8099320642862038
EOS-2-08047,COc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ccc1-c1ccccn1,HVRJWRLVBVBNPT-UHFFFAOYSA-N,2,1,0.461,49,703,446.417,4.114,5,0.388,0.7,0.999,0.7419128229730656,0.642356589678569,0.7259954766636968,0.6611866904256049,0.6928628949352341
EOS-2-08048,COc1cnc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4cccc(F)c4)n23)n1,QUUYIIXEYVMUJS-UHFFFAOYSA-N,2,1,0.535,57,929,446.417,4.114,5,0.388,0.81,1.0,0.8452042354876294,0.8337245562332944,0.6760845726817901,0.6669265300527722,0.7554849736138716
EOS-2-08049,Oc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)cc1,KFMCXRCITMPLEL-UHFFFAOYSA-N,2,1,0.761,79,528,446.413,5.558,5,0.368,0.78,1.0,0.9285347131793571,0.8742118429168666,0.972071825097663,0.9581505722705778,0.9332422383661162
EOS-2-08050,COc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1ncc(F)c(=O)[nH]1,NMUWRCKVVZUTLQ-UHFFFAOYSA-N,2,1,0.458,4,224,446.402,2.058,5,0.416,0.63,1.0,0.47806867246933044,0.4699900623672127,0.34448461380302925,0.2646408745116853,0.3892960557878144
EOS-2-08051,Cc1nc(-c2cccc(F)c2)c(COc2cncc3nnc(-c4ccc([N+](=O)[O-])cc4)n23)o1,QJIVHRSORSAJJL-UHFFFAOYSA-N,2,1,0.532,1,709,446.398,4.381,5,0.278,0.74,1.0,0.9271040367349737,0.5423805770680556,0.4553663217051607,0.26775923514495237,0.5481525426632856
EOS-2-08052,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnoc5CO)nc4)n23)cc1,HUUXVAOSFRRXSD-UHFFFAOYSA-N,2,1,0.511,89,389,446.383,2.216,5,0.287,0.6,0.901,0.6132290453018985,0.22949078198889727,0.1421338496333356,0.04839455828935645,0.25831205880337194
EOS-2-08053,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)c(F)c4)c(C#N)n3)n12,GVCSMJJUQLTVSX-UHFFFAOYSA-N,2,1,0.385,36,404,446.381,2.106,5,0.398,0.67,0.936,0.4754643273250634,0.5016534164896169,0.3226046878212597,0.4082653690631211,0.42699695017476524
EOS-2-08054,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cc(-c4csnn4)no3)n12,BAIPNFVHJZWNOR-UHFFFAOYSA-N,2,1,0.457,27,283,446.374,3.349,5,0.362,0.53,1.0,0.5591888835583579,0.6234151189089164,0.5001627715715167,0.4557604002467274,0.5346317935713796
EOS-2-08055,N#Cc1ccc(-c2nnc3cncc(Oc4ncnc(-c5ccc(F)c(F)c5)n4)n23)c(F)c1,CCLOJQKZLRVNCO-UHFFFAOYSA-N,2,1,0.467,13,316,446.352,3.725,5,0.41,0.7,1.0,0.952445000342677,0.9261274073058735,0.8910287163319854,0.8845007196216846,0.9135254609005551
EOS-2-08056,Fc1cc(-c2nnc3cncc(OCc4cncn4C(F)(F)F)n23)ccc1-c1nn[nH]n1,YYYKLWLZJGYFDS-UHFFFAOYSA-N,2,1,0.452,36,6,446.328,2.362,5,0.408,0.71,1.0,0.5258549790967034,0.6720067164690563,0.8829758070043178,0.7864950997190049,0.7168331505722706
EOS-2-08057,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccn(C(F)F)n5)n4)n23)c(F)c1,CRJNTENHYMSBOB-UHFFFAOYSA-N,2,1,0.489,73,446,446.324,3.29,5,0.366,0.61,1.0,0.5618874648756083,0.6377904187512851,0.6155421150023987,0.6235093550818998,0.609682338427798
EOS-2-08058,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)c(Cl)c2)cn1,HRRQNIBSXHIXIY-UHFFFAOYSA-N,2,1,0.35,96,46,446.301,5.037,5,0.388,0.75,1.0,0.22417928860256323,0.46546672606401207,0.9539784798848605,0.9666746624631622,0.6525747892536495
EOS-2-08059,Fc1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1Br,DTORKRAXDWURER-UHFFFAOYSA-N,2,1,0.431,93,472,446.283,5.422,5,0.347,0.83,0.999,0.3448187238708793,0.5195925570557193,0.9165581522856555,0.9336834349941745,0.6786632170516071
EOS-2-08060,Clc1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(Cl)c(Cl)c5)n4)n23)cc1,HLWZRHSACCGPCT-UHFFFAOYSA-N,2,1,0.448,45,102,453.72,5.876,5,0.341,0.78,1.0,0.369996915907066,0.6816702076622576,0.942927146871359,0.9795336166129806,0.7435319717634158
EOS-2-08061,Clc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cnc2Cl)cc1,RLSKQANSKVLHAH-UHFFFAOYSA-N,2,1,0.484,45,533,453.72,5.876,5,0.341,0.82,1.0,0.3353180042491947,0.6965338222191763,0.90047803440477,0.9657665684325955,0.7245241073264341
EOS-2-08062,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)c(Cl)c5)nc4)n23)cc1,XWLDQHMONZGJNN-UHFFFAOYSA-N,2,1,0.456,96,46,453.72,5.876,5,0.319,0.79,0.985,0.3278476458090604,0.6377989856761017,0.9454458227674594,0.9760725789870468,0.7217912583099171
EOS-2-08063,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cnccc5Cl)cn4)n23)c(Cl)c1,ZBGMFYFNTRIYGC-UHFFFAOYSA-N,2,1,0.389,45,680,453.72,5.876,5,0.341,0.75,1.0,0.2947022136933726,0.5565160030155575,0.9471249400315263,0.9808786238091974,0.6948054451374135
EOS-2-08064,Clc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)ccn1,WCPODSHPCYFXOG-UHFFFAOYSA-N,2,1,0.367,45,46,453.72,5.876,5,0.319,0.86,1.0,0.37000548283188267,0.5907237338085121,0.9547409361935439,0.9791395380714139,0.7236524227263381
EOS-2-08065,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5ncc(Cl)s5)n4)n23)cc1,XSKXSIRLKPIQSF-UHFFFAOYSA-N,2,1,0.57,73,335,446.279,4.184,5,0.396,0.71,1.0,0.7144558289356453,0.7652148584744021,0.16684942772942224,0.3510468782125968,0.49939174833801664
EOS-2-08066,Clc1ccc(COc2cncc3nnc(-c4cc(-c5nnco5)ncc4Cl)n23)s1,PDMDVMRTNPEKBN-UHFFFAOYSA-N,2,1,0.477,53,964,446.279,4.184,5,0.396,0.71,1.0,0.6160818312658488,0.7016739771091769,0.4334521280241245,0.5489942430265232,0.5750505448564184
EOS-2-08067,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ncno5)nc4Cl)n23)s1,GOVREEJXFGXCMR-UHFFFAOYSA-N,2,1,0.488,58,486,446.279,4.184,5,0.371,0.63,1.0,0.5308666301144541,0.6234236858337331,0.3823932561167843,0.492546775409499,0.5073075868686177
EOS-2-08068,O=[N+]([O-])c1cc(F)c(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)cc1Cl,MWWYXHGYMJESCV-UHFFFAOYSA-N,2,1,0.506,23,627,453.739,4.488,4,0.191,0.69,0.99,0.9442293194434925,0.794745048317456,0.9692790076074292,0.94989205674731,0.914536358028922
EOS-2-08069,COc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4Cl)n23)cc1[N+](=O)[O-],UCLIAXBPBOBVIH-UHFFFAOYSA-N,2,1,0.576,48,17,446.25,4.594,4,0.315,0.71,1.0,0.9207559454458227,0.6916335412240422,0.7896477280515386,0.6412600233020355,0.7608243095058597
EOS-2-08070,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)nc1,KREAMEVQMOHQRG-UHFFFAOYSA-N,2,1,0.409,51,491,453.8,2.944,5,0.37,0.64,1.0,0.7208895894729628,0.7294136796655473,0.4185114111438558,0.46839661435131247,0.5843028236584196
EOS-2-08071,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)cnc1F,HTKVSQVETYNLNC-UHFFFAOYSA-N,2,1,0.366,51,924,453.8,2.944,5,0.37,0.71,0.178,0.6327273661846343,0.662266122952505,0.4621598930847783,0.522333972997053,0.5698718388047427
EOS-2-08072,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ncn2)cn1,VUZJZUASRMFOGN-UHFFFAOYSA-N,2,1,0.361,46,395,453.8,2.944,5,0.292,0.61,0.976,0.6597474470564046,0.647616681516003,0.4795678843122473,0.5256579398259201,0.5781474881776437
EOS-2-08073,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ccn2)cn1,WHUFSYITVHWLQQ-UHFFFAOYSA-N,2,1,0.424,51,199,453.8,2.944,5,0.37,0.56,1.0,0.7419213898978823,0.7606915221712014,0.45166541018436024,0.4865070934137482,0.610196353916798
EOS-2-08074,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ncc5F)n34)nn2)c1,YQXXFRWVFKPVRY-UHFFFAOYSA-N,2,1,0.394,54,411,453.8,2.944,5,0.37,0.69,0.49,0.6660441367966554,0.6476252484408197,0.4408453841409088,0.5125933794805017,0.5667770372147214
EOS-2-08075,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ccn2)nc1,HUSGUQUBPCYTOP-UHFFFAOYSA-N,2,1,0.433,51,775,453.8,2.944,5,0.37,0.6,1.0,0.7996024946885066,0.7435491056130491,0.3749657323007333,0.4306164759098074,0.5871834521280241
EOS-2-08076,Cn1nc(-c2nnnn2C(F)F)cc1-c1cncc2nnc(-c3ccc(Cl)c(C#N)c3)n12,DPHIJCLKXBWIBX-UHFFFAOYSA-N,2,1,0.318,22,542,453.804,2.765,5,0.406,0.71,0.912,0.204997943938044,0.4350455760400247,0.42951990953327396,0.5390223425399219,0.40214644301281616
EOS-2-08077,Fc1ccnc(-c2ccc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)c(F)c2)c1,WHNBSPCZWASFPS-UHFFFAOYSA-N,2,1,0.459,57,236,453.811,5.716,5,0.348,0.79,1.0,0.8286615036666438,0.9169693646768556,0.9762696182578302,0.9845624014803646,0.9266157220204235
EOS-2-08078,Fc1ccc(Cl)c(Oc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)c1,HVKAJMTXJUODKU-UHFFFAOYSA-N,2,1,0.471,13,236,453.811,5.716,5,0.348,0.74,1.0,0.812975464327325,0.9225207319580563,0.9869183058049482,0.992212665341649,0.9286567918579947
EOS-2-08079,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)c2)cc1F,VZEKPYMFWREXQE-UHFFFAOYSA-N,2,1,0.55,57,236,453.811,5.716,5,0.348,0.83,1.0,0.8333904461654444,0.8770817627304502,0.9847680076759646,0.990482146528682,0.9214305907751353
EOS-2-08080,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)cn4)n23)c(F)c1,BBINCMMDDMYSBL-UHFFFAOYSA-N,2,1,0.409,13,236,453.811,5.716,5,0.348,0.85,1.0,0.8129840312521417,0.915153176615722,0.9823007333287643,0.9886659584675485,0.9247759749160441
EOS-2-08081,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5cnc(F)c(F)c5)cc4)n23)ccc1Cl,DDJRDRRLPAQWRT-UHFFFAOYSA-N,2,1,0.531,57,236,453.811,5.716,5,0.326,0.81,1.0,0.9556318963744774,0.9794907819888973,0.9864214241655815,0.9898224933177986,0.9778416489616886
EOS-2-08082,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)c(F)c1,YXSYJFCWDRVMAW-UHFFFAOYSA-N,2,1,0.43,13,236,453.811,5.716,5,0.348,0.73,1.0,0.8026266191487903,0.8742204098416833,0.9800219313275307,0.9877921321362484,0.9111652731135631
EOS-2-08083,Fc1cccc(-c2ccc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)nc2)c1F,RFCBHQPRAJIAJB-UHFFFAOYSA-N,2,1,0.4,57,671,453.811,5.716,5,0.348,0.82,1.0,0.8677438146802824,0.9243711877184566,0.9779658693715304,0.9845709684051813,0.9386629600438627
EOS-2-08084,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)cc4)n23)cc1Cl,LPTPCUNIVHEBAA-UHFFFAOYSA-N,2,1,0.645,57,236,453.811,5.716,5,0.326,0.79,1.0,0.9717377150298129,0.9719518881502296,0.9814269069974642,0.9853591254883147,0.9776189089164553
EOS-2-08085,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cn2)cc1F,UWJGNRGWMNRPRR-UHFFFAOYSA-N,2,1,0.605,57,236,453.811,5.716,5,0.348,0.75,1.0,0.9403399355767253,0.9485470495510931,0.985299157014598,0.990250839558632,0.9661092454252621
EOS-2-08086,Fc1cc(Cl)cc(Oc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)nc5)c4)n23)c1,IKJMJIPARGWNMQ-UHFFFAOYSA-N,2,1,0.512,57,236,453.811,5.716,5,0.326,0.69,1.0,0.92467103008704,0.9684480159002125,0.985016448495648,0.9906534850250154,0.9671972448769789
EOS-2-08087,Fc1ccc(F)c(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)c1,JYUWADVIDVXRRC-UHFFFAOYSA-N,2,1,0.471,57,236,453.811,5.716,5,0.348,0.81,1.0,0.887687615653485,0.954895140840244,0.9833801658556645,0.9889401000616819,0.9537257556027688
EOS-2-08088,Fc1cc(Cl)ccc1-c1nnc2cncc(Oc3ccc(-c4c(F)cccc4F)nc3)n12,CDDUIEWCMWWKCU-UHFFFAOYSA-N,2,1,0.476,57,236,453.811,5.716,5,0.348,0.78,1.0,0.8997070111712699,0.9729627852785964,0.9770320745665136,0.985119251593448,0.958705280652457
EOS-2-08089,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccc5F)c(Cl)c4)n23)c(F)c1,ZFWXAPCWKMADGW-UHFFFAOYSA-N,2,1,0.506,13,236,453.811,5.716,5,0.348,0.72,1.0,0.8839867041326845,0.9441607840449592,0.9866527311356316,0.9914502090329655,0.9515626070865602
EOS-2-08090,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)cc1F,HQAPTFDAPNUPSP-UHFFFAOYSA-N,2,1,0.476,13,236,453.811,5.716,5,0.348,0.75,1.0,0.8820334452744842,0.9496436159276266,0.9831231581111645,0.9884089507230485,0.950802292509081
EOS-2-08091,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)c(F)c4)n23)c(F)c1,LXJWADBGMJUOBG-UHFFFAOYSA-N,2,1,0.5,13,236,453.811,5.716,5,0.348,0.76,1.0,0.9354653553560414,0.9586131862106778,0.9805273798917141,0.9867726680830649,0.9653446473853746
EOS-2-08092,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cc1F,KWIFRFKXOXRDIM-UHFFFAOYSA-N,2,1,0.42,13,236,453.811,5.716,5,0.348,0.81,1.0,0.782777054348571,0.8770903296552669,0.9825920087725311,0.9889486669864985,0.9078520149407169
EOS-2-08093,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)ccn4)n23)c(F)c1,VDVDGZZGDUXSCD-UHFFFAOYSA-N,2,1,0.42,13,236,453.811,5.716,5,0.348,0.84,1.0,0.7856726749366048,0.8770988965800837,0.9826005756973477,0.9889572339113152,0.9085823452813379
EOS-2-08094,Fc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(F)c2)cc1,AKKNUTILSORVLS-UHFFFAOYSA-N,2,1,0.5,57,417,453.811,5.716,5,0.348,0.75,1.0,0.8857429237201014,0.970598314029196,0.9759697758892468,0.9834572681790145,0.9539420704543897
EOS-2-08095,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cc(Cl)cc(-c5ncccn5)n4)n23)cc1,AZAFUMYTDQIJRF-UHFFFAOYSA-N,2,1,0.359,96,315,453.815,4.983,5,0.383,0.72,1.0,0.37922349393461724,0.6234322527585497,0.9696131176752792,0.9587159893084778,0.7327462134192311
EOS-2-08096,Fc1cc(C(F)F)ccc1-c1nnc2cncc(-c3cnc(-c4ccc(Cl)nc4)cn3)n12,UBFVXRNPVVCKDH-UHFFFAOYSA-N,2,1,0.346,96,315,453.815,5.04,5,0.354,0.69,1.0,0.38392673565896784,0.7110890274826948,0.9616801452950449,0.964721403604962,0.7553543280104174
EOS-2-08097,Fc1cc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1-c1ccc(Cl)nn1,UTRBJAZQVXVINN-UHFFFAOYSA-N,2,1,0.395,96,46,453.815,5.04,5,0.379,0.75,0.714,0.4167037900075389,0.6234408196833665,0.9488982934685766,0.9511599616201768,0.7350507161949147
EOS-2-08098,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cc4Cl)n23)cc1,QMVGYNNXFUJFHQ-UHFFFAOYSA-N,2,1,0.35,96,315,453.815,4.983,5,0.383,0.71,1.0,0.45835617846617777,0.6670550339250223,0.9893170447536153,0.9834658351038311,0.7745485230621616
EOS-2-08099,FC(F)(F)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)cc5)n4)n23)cc1,SMTZVLQLZPRPCT-UHFFFAOYSA-N,2,1,0.392,96,316,453.815,4.983,5,0.383,0.74,1.0,0.4190939620313892,0.7388972654375985,0.9773404838599137,0.9764752244534302,0.7779517339455829
EOS-2-08100,O=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cn2)o1,HBQKUAUZMTXYFO-UHFFFAOYSA-N,2,1,0.543,84,524,453.821,2.944,5,0.416,0.62,1.0,0.5814800219313275,0.60003598108423,0.4931978616955658,0.5390309094647385,0.5534361935439654
EOS-2-08101,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1ncon1,LAZFPNZESSUWNC-UHFFFAOYSA-N,2,1,0.494,16,375,453.821,3.616,5,0.355,0.61,1.0,0.8912428894524022,0.672015283393873,0.6675947501884724,0.5780960866287438,0.7022372524158728
EOS-2-08102,COc1cc(-c2nnc3cncc(OCc4cncc(-c5coc(F)n5)n4)n23)ccc1Cl,RVYGOHIJZMUSKG-UHFFFAOYSA-N,2,1,0.462,4,67,453.821,3.616,5,0.38,0.63,1.0,0.8612757864436982,0.8742289767664999,0.577933315057227,0.5160372832568021,0.7073688403810567
EOS-2-08103,OCc1noc(-c2cc(-c3nnc4cncc(OCc5ccncc5Cl)n34)ccc2F)n1,SPFJNKGKTFLZNU-UHFFFAOYSA-N,2,1,0.494,16,772,453.821,3.1,5,0.412,0.76,1.0,0.7596206565691179,0.6423651566033857,0.5483345898156398,0.5874169008292783,0.6344343259543554
EOS-2-08104,COc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)on4)n23)ccc1Cl,OHMYOVXJLBGFDT-UHFFFAOYSA-N,2,1,0.523,73,82,453.821,3.616,5,0.38,0.65,1.0,0.6902199986292921,0.7157494345829621,0.5073675553423344,0.477486121581797,0.5977057775340964
EOS-2-08105,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1ncon1,NSEYORDXVQPSQO-UHFFFAOYSA-N,2,1,0.489,73,467,453.821,3.616,5,0.38,0.6,1.0,0.7387516277157151,0.6281183606332671,0.5779418819820438,0.5191385100404359,0.6159875950928655
EOS-2-08106,COc1nnc(-c2cnccc2COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)o1,GRYCBFFRYYXJCH-UHFFFAOYSA-N,2,1,0.541,16,391,453.821,3.616,5,0.38,0.72,0.999,0.8857514906449181,0.8630063052566651,0.5483431567404564,0.5223425399218696,0.7048608731409772
EOS-2-08107,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1nnco1,RXVKIVXZRZKKNY-UHFFFAOYSA-N,2,1,0.566,49,294,453.821,3.616,5,0.38,0.68,0.989,0.7856812418614214,0.6378075526009184,0.5614591186347748,0.5223511068466863,0.6268247549859502
EOS-2-08108,OCc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)no1,CNUUNTCPRWGXRZ-UHFFFAOYSA-N,2,1,0.478,55,109,453.821,3.1,5,0.412,0.71,1.0,0.6160903981906655,0.6768298951408402,0.48997669796449866,0.5428860256322391,0.5814457542320609
EOS-2-08109,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1noc(C)n1,NMVAHIMNIJRHNW-UHFFFAOYSA-N,2,1,0.419,13,971,453.821,4.138,5,0.387,0.74,1.0,0.6298917140703173,0.6000445480090467,0.37886368309231716,0.37038242752381606,0.4947955931738743
EOS-2-08110,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1nnco1,IBGMMFOIYYANOJ-UHFFFAOYSA-N,2,1,0.478,16,591,453.821,3.616,5,0.355,0.64,1.0,0.8982934685765198,0.6720238503186896,0.6867332602289082,0.5936536220958125,0.7126760503049826
EOS-2-08111,COc1nc(-c2nnc(C)o2)ccc1-c1nnc2cncc(Oc3ccc(Cl)cc3F)n12,RBDYAUOROYEXQT-UHFFFAOYSA-N,2,1,0.472,13,251,453.821,4.138,5,0.387,0.75,0.969,0.6872387087930917,0.667063600849839,0.39723116989925294,0.38627407305873485,0.5344518881502296
EOS-2-08112,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1ncco1,KYWGXFHPVZNGAX-UHFFFAOYSA-N,2,1,0.426,16,379,453.821,3.616,5,0.355,0.64,1.0,0.8802515249126174,0.6965423891439929,0.47957645123706394,0.4048043314371873,0.6152936741827154
EOS-2-08113,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c(F)cn2)no1,ZBZCPHZAPBGRIN-UHFFFAOYSA-N,2,1,0.467,20,279,453.825,2.749,5,0.378,0.56,1.0,0.6690254266328559,0.6527140017819204,0.11021348776643136,0.15901925844698786,0.3977430436570489
EOS-2-08114,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1nc[nH]n1,NFESMPABOOLIQF-UHFFFAOYSA-N,2,1,0.416,47,379,453.825,2.746,5,0.386,0.57,1.0,0.7449369474333494,0.6476338153656364,0.34858817079021315,0.3035604139538071,0.5111798368857515
EOS-2-08115,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)cn2)o1,XQSPAUCVMBQPIQ-UHFFFAOYSA-N,2,1,0.474,58,779,453.825,2.749,5,0.353,0.72,1.0,0.6690339935576726,0.6768384620656569,0.092582756493729,0.12578815708313343,0.39106084230004795
EOS-2-08116,Cc1onc(-c2cccc(Cl)c2)c1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,ZSJRPSWYSRJCOK-UHFFFAOYSA-N,2,1,0.58,59,13,453.836,5.265,5,0.361,0.71,1.0,0.9331951202796245,0.9130114454115551,0.8764906449181002,0.9030395449249538,0.9064341888835584
EOS-2-08117,Cc1onc(-c2ccc(F)c(F)c2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,JCTALZCKUYSIJT-UHFFFAOYSA-N,2,1,0.658,57,798,453.836,5.265,5,0.361,0.75,1.0,0.9704783770817628,0.9567541635254609,0.8854173805770681,0.907597148927421,0.9300617675279282
EOS-2-08118,FC(F)Oc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc4ccccc4n3)n12,QDXLZNUCZSHNRR-UHFFFAOYSA-N,2,1,0.505,1,891,453.836,5.173,5,0.353,0.78,1.0,0.9271126036597903,0.9538157083133438,0.9422503598108423,0.9438095401274759,0.9417470529778631
EOS-2-08119,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,MVBSDGCOZQUVSH-UHFFFAOYSA-N,2,1,0.636,57,798,453.836,5.265,5,0.361,0.72,1.0,0.9660321431019121,0.9463539167980262,0.8840638064560346,0.9065519840997875,0.9257504626139401
EOS-2-08120,Fc1cnc(CCOc2cncc3nnc(-c4coc(-c5ccc(Cl)cc5)c4)n23)c(F)c1,APYCUISOPOHAQM-UHFFFAOYSA-N,2,1,0.506,88,141,453.836,4.999,5,0.36,0.66,1.0,0.7387601946405319,0.7567593036803509,0.8777157151668837,0.9065605510246042,0.8199489411280927
EOS-2-08121,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2F)n[nH]1,RPOKMWDYSBNYRA-UHFFFAOYSA-N,2,1,0.675,59,96,453.84,4.395,5,0.424,0.7,1.0,0.962502570077445,0.9261359742306902,0.8613014872181481,0.8670670276197656,0.9042517647865123
EOS-2-08122,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cc2F)n1,MAQPJFFNICTXKF-UHFFFAOYSA-N,2,1,0.536,34,607,453.84,4.097,5,0.398,0.69,1.0,0.8499931464601467,0.8537797272291139,0.8506956342951134,0.8589969844424645,0.8533663731067096
EOS-2-08123,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)ccc2F)cn1,NIFKAINVTKCJLC-UHFFFAOYSA-N,2,1,0.512,73,394,453.84,4.097,5,0.398,0.62,1.0,0.5962922349393461,0.7248389418134467,0.8982677678020697,0.8899235830306353,0.7773306318963744
EOS-2-08124,Cn1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)c1F,OYOMEWUDVOQTPL-UHFFFAOYSA-N,2,1,0.554,16,772,453.84,4.097,5,0.398,0.68,1.0,0.7268521691453635,0.8148687547118086,0.8934531560551024,0.8845092865465013,0.829920841614694
EOS-2-08125,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5F)n34)nn2C)cn1,HKDKHBWLPOTQEX-UHFFFAOYSA-N,2,1,0.404,13,956,453.84,4.619,5,0.369,0.67,1.0,0.3839353025837845,0.4788653964772805,0.8376482077993284,0.8174216983071757,0.6294676512918923
EOS-2-08126,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1F,MZCYCXCPLULHPO-UHFFFAOYSA-N,2,1,0.506,73,526,453.84,4.097,5,0.398,0.66,1.0,0.7685045576040025,0.7157580015077788,0.8507042012199301,0.8504214927009801,0.7963470632581728
EOS-2-08127,Cn1nc(-c2cc(F)ccn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,LWAFJSLRNDPKLB-UHFFFAOYSA-N,2,1,0.529,34,10,453.84,4.097,5,0.398,0.54,1.0,0.6018093345212803,0.8148773216366253,0.7512422040984168,0.8023696114042903,0.7425746179151532
EOS-2-08128,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)ccn1,YQLKKVLREVVYGK-UHFFFAOYSA-N,2,1,0.494,59,577,453.84,4.097,5,0.373,0.69,1.0,0.7419299568226989,0.657340141182921,0.8777242820917004,0.8670755945445823,0.7860174936604756
EOS-2-08129,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cc2F)n1,FCTKOTCYCFMKRW-UHFFFAOYSA-N,2,1,0.523,4,469,453.84,4.097,5,0.398,0.6,1.0,0.6187804125830991,0.720289904735796,0.8641028716331985,0.8572236310054143,0.765099204989377
EOS-2-08130,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)cc2F)n1,NSUUPCKYLLVQLW-UHFFFAOYSA-N,2,1,0.524,16,980,453.84,4.097,5,0.398,0.61,1.0,0.7656346377904187,0.752347337399767,0.8684634363648824,0.8670841614693989,0.8133823932561168
EOS-2-08131,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cc[nH]n1,MHUIWXSZWXSWLZ-UHFFFAOYSA-N,2,1,0.527,37,919,453.84,4.13,5,0.388,0.56,1.0,0.9485470495510931,0.9261445411555068,0.8627578644369817,0.8718816393667329,0.9023327736275787
EOS-2-08132,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)cc2)n1,YDWPZFWTBPOIRW-UHFFFAOYSA-N,2,1,0.57,43,178,453.84,4.097,5,0.373,0.63,1.0,0.8588085120964979,0.8226903570694264,0.8507127681447467,0.8413405523953121,0.8433880474264959
EOS-2-08133,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2)n1,NGOZWIKOACKGRB-UHFFFAOYSA-N,2,1,0.553,4,22,453.84,4.677,5,0.371,0.62,1.0,0.5335052429579878,0.6965509560688096,0.8764992118429169,0.8522719484613803,0.7397068398327737
EOS-2-08134,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1-c1ccc(F)c(F)c1,WLIRMVSSSLLHCG-UHFFFAOYSA-N,2,1,0.494,95,998,453.84,4.097,5,0.373,0.74,1.0,0.5203293125899527,0.5196011239805359,0.8360804605578781,0.852280515386197,0.6820728531286409
EOS-2-08135,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)nc2F)n1,OLAVZERFUOYPES-UHFFFAOYSA-N,2,1,0.573,59,294,453.84,4.097,5,0.373,0.64,1.0,0.7268607360701802,0.6816787745870743,0.8393187581385786,0.835360838873278,0.7708047769172778
EOS-2-08136,Cn1nc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)cc1-c1ccc(Cl)cc1,GWJFZMRXOSIVGC-UHFFFAOYSA-N,2,1,0.44,95,965,453.84,4.097,5,0.398,0.66,0.988,0.4780772393941471,0.5196096909053526,0.7362757864436982,0.7981032828455897,0.6330164998971969
EOS-2-08137,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)ccn1,RGGVNNOOBCVHPA-UHFFFAOYSA-N,2,1,0.518,73,577,453.84,4.097,5,0.373,0.63,1.0,0.7479696388184497,0.6768470289904736,0.8253118360633267,0.8214138852717429,0.7678855972859981
EOS-2-08138,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cc1-c1ccc(Cl)c(F)c1,GQZDQRHTJJFEAI-UHFFFAOYSA-N,2,1,0.477,95,998,453.84,4.097,5,0.398,0.66,1.0,0.5203378795147694,0.5196182578301692,0.8326879583304777,0.857232197930231,0.6824690734014118
EOS-2-08139,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2cc(F)c(F)cn2)n1,HIFVKLNDJUPJNK-UHFFFAOYSA-N,2,1,0.62,34,772,453.84,4.097,5,0.398,0.65,1.0,0.6535364265643204,0.8109793708450415,0.7765917346309369,0.8194177917894593,0.7651313309574396
EOS-2-08140,Cn1cc(-c2cc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)ncc2F)cn1,VOEPYHHAFZIYOW-UHFFFAOYSA-N,2,1,0.512,73,877,453.84,4.097,5,0.398,0.58,1.0,0.495074018230416,0.6046192858611473,0.8537540264546638,0.8590055513672812,0.703113220478377
EOS-2-08141,Cn1nncc1-c1cncc2nnc(-c3cc(Cl)ccc3OCc3ccc(F)c(F)c3)n12,OEPMYUSFDCOVAU-UHFFFAOYSA-N,2,1,0.433,45,730,453.84,4.097,5,0.398,0.72,1.0,0.339952710575012,0.5016619834144336,0.8739462682475498,0.8927249674456857,0.6520714824206703
EOS-2-08142,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)cn2)n1,ATZVTOOYUWZYKB-UHFFFAOYSA-N,2,1,0.488,59,109,453.84,4.097,5,0.373,0.66,1.0,0.726869302994997,0.7389058323624151,0.8537625933794805,0.8432081420053458,0.7906864676855596
EOS-2-08143,COc1ccc(F)c(F)c1-c1nnc2cncc(-c3cn(Cc4ccc(Cl)cc4)nn3)n12,JTGSQCDSNXNVFA-UHFFFAOYSA-N,2,1,0.343,45,730,453.84,4.038,5,0.399,0.66,1.0,0.3304519909533274,0.4435696662326091,0.7874802960729217,0.8252861352888767,0.5966970221369338
EOS-2-08144,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2F)n1,MXVYIHUNFZNYMY-UHFFFAOYSA-N,2,1,0.506,73,526,453.84,4.097,5,0.398,0.65,1.0,0.6563806456034542,0.6965595229936262,0.8235984510999932,0.8252947022136934,0.7504583304776918
EOS-2-08145,COc1cc(-c2nnc3cncc(-c4c(F)cc(-c5nncn5C)cc4F)n23)ccc1Cl,FUBMUNOMLYCUKQ-UHFFFAOYSA-N,2,1,0.358,22,252,453.84,4.194,5,0.405,0.76,1.0,0.4261188403810568,0.6816873415118909,0.852280515386197,0.8522890823110136,0.7030939448975395
EOS-2-08146,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1F,QBTNTHGFHIZPQV-UHFFFAOYSA-N,2,1,0.549,34,332,453.84,4.097,5,0.398,0.65,1.0,0.7238708793091632,0.814885888561442,0.8739548351723665,0.8955606195600028,0.8270680556507437
EOS-2-08147,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccc1F,POHNZXUDNQMHOJ-UHFFFAOYSA-N,2,1,0.566,34,607,453.84,4.097,5,0.398,0.69,1.0,0.717634158042629,0.822698923994243,0.8864968131039682,0.9043074497978206,0.8327843362346652
EOS-2-08148,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1F,FXRXUBNEWUBAMH-UHFFFAOYSA-N,2,1,0.716,34,96,453.84,4.097,5,0.398,0.68,1.0,0.8359605236104448,0.8876704818038517,0.8972397368240697,0.9065691179494209,0.8818599650469467
EOS-2-08149,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cn[nH]c1,QAYBQONJFJWQPI-UHFFFAOYSA-N,2,1,0.533,37,919,453.84,4.13,5,0.388,0.63,1.0,0.9342488520320745,0.9130200123363718,0.8910372832568021,0.8982249331779865,0.9091327702008087
EOS-2-08150,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cnc1Cl,YVZIAKBPYMWAEK-UHFFFAOYSA-N,2,1,0.462,59,772,453.84,4.097,5,0.373,0.67,1.0,0.6902285655541087,0.7567678706051676,0.8854259475018847,0.8860341991638682,0.8046141457062572
EOS-2-08151,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)cn2)cn1,QQALYDGCBLFYMS-UHFFFAOYSA-N,2,1,0.488,59,772,453.84,4.097,5,0.373,0.65,1.0,0.6415512987458022,0.7157665684325955,0.8876533479542184,0.8747344253306834,0.7799264101158249
EOS-2-08152,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)ccc1Cl,JTGIEPQUYPOCIP-UHFFFAOYSA-N,2,1,0.696,47,781,453.84,4.13,5,0.415,0.61,1.0,0.982797614968131,0.9575851552326777,0.8790692892879172,0.889932149955452,0.9273460523610445
EOS-2-08153,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1F,IAGPAJONUKDJMX-UHFFFAOYSA-N,2,1,0.716,34,96,453.84,4.097,5,0.398,0.67,1.0,0.8310088410664108,0.8903262284970187,0.8972483037488863,0.9065776848742375,0.8812902645466383
EOS-2-08154,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)c1F,SFBYECNEHQPNEX-UHFFFAOYSA-N,2,1,0.662,59,294,453.84,4.097,5,0.398,0.74,1.0,0.6931156192173258,0.6768555959152902,0.8712048523062161,0.865430744979782,0.7766517031046536
EOS-2-08155,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nc[nH]n5)c4)n23)cc1Cl,BVXKAAMKSPKQGM-UHFFFAOYSA-N,2,1,0.709,88,86,453.84,4.13,5,0.415,0.65,1.0,0.9808871907340141,0.9684565828250291,0.8765077787677336,0.8927335343705024,0.9296462716743198
EOS-2-08156,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)nc2)cn1,BAZUOKRJIXLJCC-UHFFFAOYSA-N,2,1,0.438,59,772,453.84,4.097,5,0.373,0.69,1.0,0.5903639229662121,0.5806318963744774,0.8887156466314852,0.8759937632787335,0.733926307312727
EOS-2-08157,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)[nH]n2)c(F)n1,LJGCOUVNRMHAHH-UHFFFAOYSA-N,2,1,0.558,59,963,453.84,4.395,5,0.396,0.61,1.0,0.7798214652868206,0.647642382290453,0.8739634020971832,0.8718902062915496,0.7933293639915016
EOS-2-08158,Cn1nc(-c2cccnc2F)cc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,INCCPJVWWBKLRY-UHFFFAOYSA-N,2,1,0.517,34,10,453.84,4.097,5,0.373,0.67,1.0,0.632735933109451,0.8227074909190597,0.7696610924542526,0.7981118497704064,0.7558040915632924
EOS-2-08159,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccn2)c1F,ORGAKGMNKGTCGV-UHFFFAOYSA-N,2,1,0.494,59,332,453.84,4.097,5,0.398,0.74,1.0,0.5489942430265232,0.604627852785964,0.8424456856966623,0.8504300596257968,0.7116244602837365
EOS-2-08160,Cn1nc(COc2cncc3nnc(-c4cc(F)ccc4F)n23)nc1-c1ccc(Cl)cc1,JQJCUXJDRXJNKU-UHFFFAOYSA-N,2,1,0.538,34,146,453.84,4.097,5,0.398,0.76,1.0,0.6504523336303201,0.8506956342951134,0.6214961277499829,0.747241450209033,0.7174713864711123
EOS-2-08161,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc(Cl)[nH]n5)c(F)c4)n23)cn1,LLOHUMLOJCWQOZ-UHFFFAOYSA-N,2,1,0.575,88,669,453.84,4.13,5,0.388,0.64,1.0,0.9442378863683092,0.9371701733945583,0.8507213350695634,0.8639058323624151,0.8990088067987114
EOS-2-08162,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1-c1ccc(F)cn1,QCCPJZOUSMENIU-UHFFFAOYSA-N,2,1,0.568,95,998,453.84,4.097,5,0.398,0.66,1.0,0.5963008018641628,0.5753461037625934,0.7984202590638064,0.8313086834349942,0.7003439620313893
EOS-2-08163,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)cn2)c1,JYFWPBGYPIAIJM-UHFFFAOYSA-N,2,1,0.488,59,109,453.84,4.097,5,0.373,0.68,1.0,0.8407151668836954,0.8302892193818107,0.8641114385580152,0.8538311287780138,0.8472367384003838
EOS-2-08164,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2F)cn1,IIVLJTSFJJTZTH-UHFFFAOYSA-N,2,1,0.529,73,10,453.84,4.097,5,0.398,0.64,1.0,0.6563892125282709,0.8227160578438764,0.8804228634089507,0.8788551161675006,0.8095958124871496
EOS-2-08165,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cc1,ATUVSFLYWDVOIH-UHFFFAOYSA-N,2,1,0.577,43,520,453.84,4.097,5,0.373,0.73,1.0,0.8997155780960866,0.8716246316222329,0.8552532382975807,0.8590141182920978,0.8714018915769994
EOS-2-08166,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2F)n1,JPBNYPUOFRXPLT-UHFFFAOYSA-N,2,1,0.703,59,96,453.84,4.097,5,0.398,0.74,1.0,0.9459941059557261,0.9169779316016723,0.8898893153313686,0.8912771571516689,0.9110346275101089
EOS-2-08167,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1F,IQAZUZCELQUBHX-UHFFFAOYSA-N,2,1,0.712,43,96,453.84,4.097,5,0.398,0.68,1.0,0.9493780412583099,0.937178740319375,0.8671526968679323,0.8802943595367007,0.9085009594955794
EOS-2-08168,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)cn1,ZJPJLXKIPGCCCG-UHFFFAOYSA-N,2,1,0.561,4,519,453.84,4.677,5,0.371,0.63,1.0,0.5258635460215201,0.7202984716606127,0.9004866013295867,0.8734579535329998,0.7550266431361797
EOS-2-08169,Cn1nc(-c2cnc(Cl)cc2F)cc1COc1cncc2nnc(-c3ccccc3F)n12,MVINNPTVKNYCCH-UHFFFAOYSA-N,2,1,0.517,34,10,453.84,4.097,5,0.373,0.55,1.0,0.5758943869508601,0.7909413336988554,0.7674079912274689,0.8002193132753067,0.7336157562881228
EOS-2-08170,Cn1nc(-c2nnc3cncc(OCc4nc(F)ccc4F)n23)cc1-c1ccc(Cl)cc1,ZVOVRNMOHDGJCZ-UHFFFAOYSA-N,2,1,0.444,34,965,453.84,4.097,5,0.373,0.71,0.997,0.47547289424988004,0.5907323007333287,0.7260040435885134,0.7865036666438215,0.6446782263038859
EOS-2-08171,Cn1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)cc1-c1ccc(Cl)cc1,BAIGDJVYHMIZKS-UHFFFAOYSA-N,2,1,0.456,95,965,453.84,4.097,5,0.398,0.64,1.0,0.46062641354259476,0.5423891439928723,0.7960215201151395,0.8313172503598109,0.6575885820026044
EOS-2-08172,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1-c1ccc(F)nc1,BCOQBSOGXLJAOA-UHFFFAOYSA-N,2,1,0.593,95,998,453.84,4.097,5,0.373,0.73,1.0,0.6048163251319306,0.6046364197107806,0.847148927421013,0.8605475978342814,0.7292873175245014
EOS-2-08173,Fc1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cnc1-c1cc[nH]n1,YXJMRNOZYQXRAY-UHFFFAOYSA-N,2,1,0.517,84,749,453.84,4.13,5,0.415,0.62,0.997,0.8656534850250154,0.8630148721814818,0.7937255842642725,0.8413491193201289,0.8409357651977247
EOS-2-08174,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)nc1F,GNLWPZCIYYBHMX-UHFFFAOYSA-N,2,1,0.566,46,223,453.84,4.097,5,0.373,0.69,0.999,0.8026351860736071,0.7342368583373312,0.8641200054828319,0.860556164759098,0.8153870536632171
EOS-2-08175,CCn1cncc1-c1cc(-c2nnc3cncc(Oc4cc(Cl)cc(F)c4F)n23)ccn1,GYXBRWQACFUMHS-UHFFFAOYSA-N,2,1,0.452,13,624,453.84,4.794,5,0.356,0.63,1.0,0.6132376122267151,0.6768641628401069,0.842454252621479,0.8313258172846275,0.7409704612432322
EOS-2-08176,Fc1cc(F)c(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)n[nH]2)cc1Cl,RLXKDPZJSHLCIJ-UHFFFAOYSA-N,2,1,0.495,88,490,453.84,4.13,5,0.388,0.71,0.928,0.6902371324789254,0.5565245699403742,0.8063018298951409,0.8432167089301624,0.7240700603111507
EOS-2-08177,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccc(F)c(F)c1,AQUUHBQNBSFTOT-UHFFFAOYSA-N,2,1,0.477,95,998,453.84,4.097,5,0.398,0.74,1.0,0.5151463230758687,0.497241450209033,0.8343242409704612,0.8590226852169145,0.6764336748680694
EOS-2-08178,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)nc1F,MQSXGQSQSFUWTG-UHFFFAOYSA-N,2,1,0.43,46,223,453.84,4.097,5,0.373,0.66,0.987,0.702110890274827,0.6816959084367076,0.8537711603042971,0.8572407648550476,0.7737046809677198
EOS-2-08179,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2F)cc1F,RYOCWTOMDALVMI-UHFFFAOYSA-N,2,1,0.542,16,772,453.84,4.097,5,0.373,0.63,1.0,0.7596292234939346,0.7435576725378658,0.8522890823110136,0.8413576862449456,0.7992084161469399
EOS-2-08180,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1F,TXIZATJFTNILAG-UHFFFAOYSA-N,2,1,0.726,34,96,453.84,4.097,5,0.398,0.72,1.0,0.9258446987869234,0.9342231512576246,0.865584949626482,0.8831300116510178,0.902195702830512
EOS-2-08181,Fc1ccc(Cl)c(F)c1CCOc1cncc2nnc(-c3cccc(-c4c[nH]nn4)c3)n12,MQWUDKFADHNKJP-UHFFFAOYSA-N,2,1,0.544,88,70,453.84,4.13,5,0.388,0.54,1.0,0.8857600575697347,0.8955434857103695,0.8804314303337674,0.8927421012953191,0.8886192687272977
EOS-2-08182,Cn1nc(-c2nnc3cncc(OCc4cc(Cl)c(F)cn4)n23)cc1-c1ccc(F)cc1,LMEPIOQIDYCSJB-UHFFFAOYSA-N,2,1,0.456,95,965,453.84,4.097,5,0.398,0.7,1.0,0.45389281063669384,0.5150435199780686,0.7937341511890892,0.8313343842094442,0.6485012165033239
EOS-2-08183,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)nc2F)n1,GKZKVYLWZQAQNN-UHFFFAOYSA-N,2,1,0.44,59,223,453.84,4.097,5,0.373,0.65,1.0,0.5814885888561442,0.6234493866081832,0.8236070180248098,0.8313429511342608,0.7149719861558496
EOS-2-08184,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)nc1F,RYZKKDGSXFRPKD-UHFFFAOYSA-N,2,1,0.566,46,223,453.84,4.097,5,0.373,0.66,0.999,0.8051795627441574,0.7342454252621479,0.8641285724076485,0.8605647316839148,0.8160295730244671
EOS-2-08185,FC(F)n1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,YVGDGWPWEGMKOW-UHFFFAOYSA-N,2,1,0.633,43,520,453.84,4.677,5,0.371,0.73,1.0,0.927121170584607,0.9342317181824412,0.897256870673703,0.896922760605853,0.913883130011651
EOS-2-08186,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4c(F)cc(Cl)cc4F)n23)c1,GBOJAODUKWFYBL-UHFFFAOYSA-N,2,1,0.46,2,328,453.84,4.097,5,0.398,0.6,1.0,0.6475481461174697,0.6234579535329998,0.8934617229799191,0.8860427660886848,0.7626276471797684
EOS-2-08187,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1F,FECICIMIQATUFU-UHFFFAOYSA-N,2,1,0.703,59,96,453.84,4.097,5,0.398,0.64,1.0,0.8235641834007265,0.8687632787334658,0.8958090603796861,0.9043160167226373,0.8731131348091289
EOS-2-08188,Cn1ccc(-c2cc(F)cc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)n1,IAMVQOIGOJWZIM-UHFFFAOYSA-N,2,1,0.535,73,526,453.84,4.097,5,0.398,0.65,1.0,0.5003255431430333,0.5613648824617915,0.8164536358028922,0.8233243095058598,0.6753670927283941
EOS-2-08189,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c(F)c1,IUVNEFBTUYOAQM-UHFFFAOYSA-N,2,1,0.658,59,96,453.84,4.097,5,0.398,0.71,1.0,0.7479782057432663,0.8405780960866287,0.892305188129669,0.9007778767733534,0.8454098416832294
EOS-2-08190,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c(F)c1,ODJPBZYSDUVTIY-UHFFFAOYSA-N,2,1,0.512,34,607,453.84,4.097,5,0.398,0.69,1.0,0.6872472757179083,0.7737646494414365,0.8840723733808512,0.8955691864848194,0.8101633712562539
EOS-2-08191,FC(F)c1ccc(-c2nnc3cncc(OCc4cnn(-c5cccc(Cl)c5)c4)n23)cn1,UGKGTPJUIXDMQJ-UHFFFAOYSA-N,2,1,0.459,27,69,453.84,4.542,5,0.375,0.7,0.999,0.4442807209923926,0.5806404632992941,0.8840809403056679,0.8670927283942156,0.6940237132478926
EOS-2-08192,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5Cl)n34)nc2F)n1,WVTUXJOCXHJZHE-UHFFFAOYSA-N,2,1,0.44,59,223,453.84,4.097,5,0.373,0.67,1.0,0.5846240833390446,0.633018641628401,0.8236155849496265,0.8334332807895278,0.7186728976766501
EOS-2-08193,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ncc2F)cn1,FUWNFHSVADNRON-UHFFFAOYSA-N,2,1,0.541,73,391,453.84,4.097,5,0.398,0.61,1.0,0.690245699403742,0.8687718456582825,0.8958176273045028,0.8873192378863684,0.8355386025632239
EOS-2-08194,Cn1nc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1-c1cncc(F)c1,XQSFIAXLJNNAMY-UHFFFAOYSA-N,2,1,0.422,95,998,453.84,4.097,5,0.398,0.74,0.999,0.48776643136179837,0.4828832842162977,0.8084949626482077,0.8504386265506134,0.6573958261942293
EOS-2-08195,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(F)c1,IFFDNSSXBLBUID-UHFFFAOYSA-N,2,1,0.542,34,146,453.84,4.097,5,0.398,0.68,1.0,0.805188129668974,0.8742375436913166,0.8471574943458297,0.8671012953190322,0.8484211157562881
EOS-2-08196,Cn1cc(-c2nnc3cncc(OCc4cc(F)ncc4Cl)n23)c(-c2ccc(F)cc2)n1,HEJIDKJHSZJXAJ-UHFFFAOYSA-N,2,1,0.518,34,772,453.84,4.097,5,0.373,0.68,1.0,0.5151548900006854,0.5859776574600781,0.8146888492906587,0.8452213693372627,0.6902606915221712
EOS-2-08197,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c(Cl)c2)cn1,YVVTZBRQDJMZGZ-UHFFFAOYSA-N,2,1,0.477,16,772,453.84,4.097,5,0.398,0.71,1.0,0.6902542663285587,0.7157751353574121,0.9080597628675211,0.8995185388253033,0.8034019258446987
EOS-2-08198,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cc2F)cn1,ZWXIQYFIXLSTIC-UHFFFAOYSA-N,2,1,0.536,73,469,453.84,4.097,5,0.398,0.58,1.0,0.5903724898910288,0.7016825440339935,0.8946782263038859,0.8860513330135015,0.7681961483106023
EOS-2-08199,Cn1ncc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)c1-c1ccc(F)cc1,MYCQSMFLOVIZSU-UHFFFAOYSA-N,2,1,0.489,34,526,453.84,4.097,5,0.398,0.71,1.0,0.47299705297786304,0.537908642313755,0.7439603180042492,0.8045199095332739,0.6398464807072853
EOS-2-08200,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c(F)c2)cn1,BSULYVHOSNIJHV-UHFFFAOYSA-N,2,1,0.477,16,772,453.84,4.097,5,0.398,0.74,1.0,0.7300818998012474,0.7342539921869645,0.9080683297923378,0.8982335001028031,0.8176594304708382
EOS-2-08201,Cn1c(COc2cncc3nnc(-c4cccc(F)c4)n23)nnc1-c1ccc(Cl)c(F)c1,JERODJIZBJVTDD-UHFFFAOYSA-N,2,1,0.561,34,612,453.84,4.097,5,0.398,0.78,1.0,0.6812675621958741,0.9090535261462546,0.6360941676375849,0.7676821328216024,0.7485243472003289
EOS-2-08202,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ccc(F)c(F)c1,GVJSYXINXKWFNM-UHFFFAOYSA-N,2,1,0.489,95,965,453.84,4.097,5,0.398,0.66,0.999,0.4167123569323556,0.519626824754986,0.8006390925913234,0.8334418477143445,0.6426050304982523
EOS-2-08203,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)ncc2F)cn1,JMMGQIHXQBTLPG-UHFFFAOYSA-N,2,1,0.541,73,391,453.84,4.097,5,0.398,0.63,1.0,0.6597560139812213,0.7989771091768899,0.8958261942293194,0.887327804811185,0.810471780549654
EOS-2-08204,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cnc1F,VKOPJGHGHIPJEP-UHFFFAOYSA-N,2,1,0.612,59,294,453.84,4.097,5,0.373,0.67,1.0,0.8261171269960935,0.7989856761017066,0.8424628195462956,0.8413662531697622,0.8272329689534645
EOS-2-08205,Cn1nc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1-c1ccc(F)cc1,YPJRDLVWNYHIBT-UHFFFAOYSA-N,2,1,0.494,95,965,453.84,4.097,5,0.373,0.7,0.998,0.5232420670276198,0.5287334658351038,0.8085035295730245,0.8334504146391611,0.6734823692687273
EOS-2-08206,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)nc1,FPDJKYDCIXLBFO-UHFFFAOYSA-N,2,1,0.429,46,1,453.84,4.097,5,0.373,0.66,1.0,0.7113631690768282,0.6527225687067371,0.8765163456925502,0.8671098622438489,0.7769279864299911
EOS-2-08207,FC(F)c1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cc[nH]c1,HLFHHLWJJXLEBD-UHFFFAOYSA-N,2,1,0.388,46,62,453.84,4.746,5,0.399,0.56,0.999,0.7968953464464396,0.7342625591117813,0.8684720032896991,0.8538396957028305,0.8133674011376875
EOS-2-08208,Cn1cncc1-c1cnc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c(F)c1,VIMGACVRTAYKQJ-UHFFFAOYSA-N,2,1,0.554,59,294,453.84,4.097,5,0.398,0.71,0.998,0.7596377904187512,0.6768727297649236,0.8552618052223974,0.8605732986087314,0.788086406003701
EOS-2-08209,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1-c1ccc(F)cc1,JMNYQPMULHSEHR-UHFFFAOYSA-N,2,1,0.44,95,965,453.84,4.097,5,0.398,0.66,0.988,0.4703327393598794,0.49212699609348226,0.7362843533685148,0.7958930162428894,0.6236592762661914
EOS-2-08210,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1-c1ccc(Cl)cc1,OXBUWBRDDTZUNY-UHFFFAOYSA-N,2,1,0.483,95,965,453.84,4.097,5,0.398,0.6,1.0,0.5335138098828045,0.5196353916798027,0.8253204029881434,0.8554845452676307,0.6834885374545954
EOS-2-08211,Clc1cc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)ccc1-c1nnco1,ZWEBDZMJGPRFGS-UHFFFAOYSA-N,2,1,0.346,42,596,453.853,4.014,6,0.389,0.66,1.0,0.2890480433143719,0.3979936262079364,0.5001713384963333,0.5490028099513399,0.4340539544924954
EOS-2-08212,Clc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)nn1,AKBAVBYPNAZVBI-UHFFFAOYSA-N,2,1,0.316,38,787,453.853,4.014,6,0.389,0.67,1.0,0.22132650263861284,0.29629566170927285,0.40798266054417104,0.4306250428346241,0.3390574669316702
EOS-2-08213,Clc1cncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)c1,LAFVXXKZLFSFLD-UHFFFAOYSA-N,2,1,0.321,42,186,453.853,4.014,6,0.389,0.73,1.0,0.30515386196970734,0.3743574806387499,0.44803303406209305,0.5390394763895552,0.41664596326502634
EOS-2-08214,Clc1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)no4)n23)cc1-c1cncnc1,CFEXBUUDISAAFT-UHFFFAOYSA-N,2,1,0.338,94,165,453.853,4.014,6,0.389,0.64,0.998,0.2408162565965321,0.4169693646768556,0.6269875265574669,0.672709204304023,0.4893705880337194
EOS-2-08215,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)o2)cn1,SHJIBWLHADTNFN-UHFFFAOYSA-N,2,1,0.329,38,733,453.853,4.014,6,0.364,0.69,1.0,0.2354105270372147,0.3980021931327531,0.382401823041601,0.45905009937632785,0.36871616064697416
EOS-2-08216,Clc1cc(-c2cccnn2)cnc1-c1nnc2cncc(-c3ccc(-c4ncco4)cn3)n12,VGMONLFOSCKOSZ-UHFFFAOYSA-N,2,1,0.276,70,687,453.853,4.014,6,0.389,0.66,0.991,0.20500651086286067,0.28584401343293814,0.32987800699061065,0.40481289836200396,0.3063853574121034
EOS-2-08217,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)o2)cn1,YTAURNHCQOXMDZ-UHFFFAOYSA-N,2,1,0.329,38,608,453.853,4.014,6,0.364,0.74,1.0,0.2380834075800151,0.39308477828798577,0.32261325474607633,0.3927078335960524,0.3366223185525324
EOS-2-08218,Clc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)o1,DAMRSKREIBMDGE-UHFFFAOYSA-N,2,1,0.33,32,191,453.853,4.014,6,0.389,0.68,1.0,0.24082482352134876,0.3307004317730108,0.30432287026249055,0.3510554451374135,0.30672589267356587
EOS-2-08219,Clc1cnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)o2)nc1,DXAWHYUVNLNROK-UHFFFAOYSA-N,2,1,0.293,30,301,453.853,4.014,6,0.389,0.72,0.888,0.21874785826879584,0.3113477486121582,0.17004489068603934,0.3101226783633747,0.25256579398259205
EOS-2-08220,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,LYZIBTOCDOEOEE-UHFFFAOYSA-N,2,1,0.321,64,449,453.853,4.014,6,0.389,0.69,0.999,0.27792817490233707,0.359990747721198,0.32262182167089304,0.4464224521965595,0.3517407991227469
EOS-2-08221,Clc1cc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)no2)ccn1,IMWNGSQHJNEPIO-UHFFFAOYSA-N,2,1,0.329,42,50,453.853,4.014,6,0.364,0.8,1.0,0.19944657665684326,0.33070899869782744,0.36716983071756565,0.44643101912137617,0.3359391062984032
EOS-2-08222,Clc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cn5)n34)nc2)cn1,GCHQDIAKFYNGHD-UHFFFAOYSA-N,2,1,0.306,94,957,453.853,4.014,6,0.364,0.66,1.0,0.2021537248989103,0.31135631553697485,0.49320642862038244,0.4987149612774998,0.37635785758344187
EOS-2-08223,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)cc2)nn1,HTEUHTNUERLXPR-UHFFFAOYSA-N,2,1,0.309,98,727,453.857,3.144,6,0.426,0.74,0.998,0.22975635665821398,0.2963042286340895,0.3153142348022754,0.39568912343225277,0.3092659858817079
EOS-2-08224,Clc1ccc(-c2nnc3cncc(-c4cncc(-c5nnn[nH]5)n4)n23)cc1-c1ccccn1,BGVKLFHJDGONNQ-UHFFFAOYSA-N,2,1,0.292,10,72,453.857,3.144,6,0.426,0.63,1.0,0.20501507778767733,0.3930933452128024,0.3004591871701734,0.44308135151805905,0.33541224042217804
EOS-2-08225,Clc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)nn1,BNDVXBCXLVECEO-UHFFFAOYSA-N,2,1,0.325,98,167,453.857,3.144,6,0.426,0.61,1.0,0.21321362483722842,0.3113648824617915,0.267510794325269,0.3318312658488109,0.28098014186827497
EOS-2-08226,Clc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)cc2)n1,AAKBMVGXIQCUNS-UHFFFAOYSA-N,2,1,0.286,38,725,453.857,3.144,6,0.399,0.72,1.0,0.22133506956342952,0.27548660132958674,0.31532280172709204,0.3703909944486327,0.2956338667671853
EOS-2-08227,Clc1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnn6)n5)n34)cc2)n[nH]1,PLMMMMQGQZXMHU-UHFFFAOYSA-N,2,1,0.306,98,63,453.857,3.144,6,0.426,0.6,0.995,0.24083339044616545,0.32607429237201013,0.23884586388869852,0.34785141525597973,0.2884012404907135
EOS-2-08228,Clc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)cn2)n1,UNJQRQYCNZDDOK-UHFFFAOYSA-N,2,1,0.29,94,874,453.857,2.939,6,0.37,0.69,0.924,0.008858200260434514,0.08618326365567816,0.2316924816667809,0.29727229113837295,0.15600155918031663
EOS-2-08229,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5oc(CF)nc5Cl)n34)c2)cn1,ZJNQWBOTNAVIBX-UHFFFAOYSA-N,2,1,0.518,15,438,453.865,3.924,5,0.368,0.66,1.0,0.4629394832430951,0.4567969981495442,0.3153313686519087,0.33823075868686175,0.39332465218285245
EOS-2-08230,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)on5)n34)ccc2F)cn1,SGEXRPHKALPHJE-UHFFFAOYSA-N,2,1,0.5,37,394,453.865,4.077,5,0.366,0.63,1.0,0.5874169008292783,0.637816119525735,0.48305462271263105,0.5024587074223836,0.5526865876225071
EOS-2-08231,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5oc(CF)nc5Cl)n34)c2)c1,MSDKKFOANBPQOK-UHFFFAOYSA-N,2,1,0.506,15,438,453.865,3.924,5,0.368,0.62,1.0,0.5759029538756768,0.542397710917689,0.2708861627030361,0.29728085806318966,0.42161692138989787
EOS-2-08232,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1ncnn1C,UJDLLXAJDLTQOM-UHFFFAOYSA-N,2,1,0.583,95,381,453.869,2.734,5,0.389,0.64,1.0,0.44428928791720923,0.3307175656226441,0.23519635391679802,0.3068929477074909,0.32927403879103556
EOS-2-08233,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4[nH]c(CF)nc4Cl)n23)c1,XUBZKSNKRXOGQU-UHFFFAOYSA-N,2,1,0.456,15,931,453.869,3.054,5,0.403,0.56,0.999,0.4539013775615105,0.39801076005756975,0.15124905763827018,0.19153930505105887,0.29867512507710237
EOS-2-08234,CCn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)nn1C,YUWJJQSEPPQUJA-UHFFFAOYSA-N,2,1,0.548,95,998,453.869,3.175,5,0.389,0.6,1.0,0.29982523473373995,0.3355150435199781,0.26031457747926806,0.3478599821807964,0.31087870947844565
EOS-2-08235,CCn1ncnc1-c1cc(COc2cncc3nnc(-c4cc(F)ccc4Cl)n23)n(C)n1,FISCANUHYOFGTP-UHFFFAOYSA-N,2,1,0.436,36,404,453.869,3.175,5,0.389,0.58,0.999,0.40772565279967105,0.5103060105544514,0.1421424165581523,0.22925947501884725,0.32235838873278044
EOS-2-08236,Cn1cnc(CCOc2cncc3nnc(-c4cc(-c5cncc(F)c5)n(C)n4)n23)c1Cl,GPLDVJBQRXYBRM-UHFFFAOYSA-N,2,1,0.392,31,569,453.869,2.734,5,0.389,0.61,1.0,0.43981735316290865,0.40288534027825373,0.19293571379617572,0.26464944143650193,0.32507196216846
EOS-2-08237,CCn1nc(-c2ncn(C)n2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,WEXZZHUBRRFLNB-UHFFFAOYSA-N,2,1,0.517,36,404,453.869,3.175,5,0.389,0.54,0.987,0.3630320060311151,0.5806490302241107,0.15125762456308683,0.2230141868274964,0.3294882119114523
EOS-2-08238,COc1ncc(-c2nnc3cncc(OCc4cc(-c5csnn5)ncc4Cl)n23)cn1,KZZYJIWVGOPEEC-UHFFFAOYSA-N,2,1,0.438,55,283,453.875,2.736,5,0.378,0.68,1.0,0.432715372489891,0.43505414296484135,0.16061270646288808,0.1484990747721198,0.29422032417243504
EOS-2-08239,CSc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)o1,JPDMFCUPSKZJAF-UHFFFAOYSA-N,2,1,0.44,53,617,453.875,2.981,5,0.351,0.66,1.0,0.42363443218422314,0.5150520869028853,0.06770440682612569,0.08201117126996094,0.2721005242957988
EOS-2-08240,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)ccc1-c1cscn1,IUXAMQQJPFKBEF-UHFFFAOYSA-N,2,1,0.625,13,209,453.886,5.508,5,0.349,0.82,1.0,0.9571311082173943,0.8630234391062984,0.8992786649304366,0.8734665204578165,0.8982249331779865
EOS-2-08241,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cscn1,JDWDFSPCQQGDQV-UHFFFAOYSA-N,2,1,0.5,13,209,453.886,5.508,5,0.349,0.76,1.0,0.8857686244945514,0.8264341032143102,0.887661914879035,0.8605818655335481,0.8651116270303613
EOS-2-08242,Cc1nc(-c2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)o1,OYIXVBAABIONCR-UHFFFAOYSA-N,2,1,0.382,69,484,453.889,6.335,6,0.31,0.68,1.0,0.29727229113837295,0.510314577479268,0.7601860736070181,0.8066359399629909,0.5936022205469125
EOS-2-08243,N#Cc1cc(-c2nnc3cncc(Oc4ccc(-c5ccc(CO)cc5)cc4)n23)ccc1Cl,MLEMZMQHLDZCNH-UHFFFAOYSA-N,2,1,0.524,79,528,453.889,5.268,5,0.389,0.8,1.0,0.957139675142211,0.9676512918922624,0.9696216846000959,0.9666832293879789,0.9652739702556371
EOS-2-08244,Cc1nc(-c2ccc(F)c(Cl)c2)cc(-c2nnc3cncc(OCc4ccns4)n23)n1,PMRVOFWBACZBNL-UHFFFAOYSA-N,2,1,0.449,44,531,453.89,4.385,5,0.39,0.65,1.0,0.5787557398396271,0.5953156055102461,0.5281252141731204,0.584435610993078,0.5716580426290179
EOS-2-08245,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4ncsc4Cl)n23)c1,KVSASLUHHKZOSO-UHFFFAOYSA-N,2,1,0.479,87,307,453.89,4.119,5,0.382,0.63,1.0,0.6690425604824892,0.6817044753615242,0.39723973682406966,0.5058169419505174,0.5634509286546501
EOS-2-08246,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cncc(-c4csnn4)c3)n12,LBTRWOUKURYPTL-UHFFFAOYSA-N,2,1,0.552,84,35,453.89,4.119,5,0.382,0.65,1.0,0.515163456925502,0.6423737235282023,0.692310328284559,0.7394369817010485,0.647321122609828
EOS-2-08247,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)cc1Cl,RPGJBQNNJWDOEV-UHFFFAOYSA-N,2,1,0.704,84,360,453.89,4.119,5,0.382,0.68,0.999,0.7479867726680831,0.8337331231581112,0.6511376876156535,0.7015540401617435,0.7336029059008978
EOS-2-08248,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ncn2)c1,WEAXARYNESPCMB-UHFFFAOYSA-N,2,1,0.426,18,194,453.89,4.119,5,0.382,0.52,0.933,0.7021194571996436,0.6527311356315537,0.564885888561442,0.6291549585360839,0.6372228599821809
EOS-2-08249,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nn2)n1,VATZMVVMRBQZDE-UHFFFAOYSA-N,2,1,0.424,54,954,453.89,4.119,5,0.357,0.6,0.747,0.8235727503255431,0.7523559043245837,0.3897608114591186,0.48651566033856486,0.6130512816119525
EOS-2-08250,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)ccn2)cs1,RILHDTHVMPCEPC-UHFFFAOYSA-N,2,1,0.529,24,199,453.89,4.385,5,0.39,0.67,1.0,0.62435748063875,0.6046449866355973,0.4932149955451991,0.5089695702830512,0.5577967582756493
EOS-2-08251,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ncn2)cnc1Cl,GMFMOHUOLRUUEC-UHFFFAOYSA-N,2,1,0.421,18,194,453.89,4.119,5,0.357,0.62,0.836,0.7021280241244603,0.6622746898773216,0.5810088410664108,0.6149766979644986,0.6400970632581728
EOS-2-08252,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)n5)n34)ccn2)s1,YRHTUAUHAUAAEQ-UHFFFAOYSA-N,2,1,0.535,4,43,453.89,4.385,5,0.364,0.73,1.0,0.6018179014460969,0.6670721677746556,0.5381913508327051,0.5293160167226373,0.5840993591940237
EOS-2-08253,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ccncn1,FEDNTNWJFIESOO-UHFFFAOYSA-N,2,1,0.442,58,814,453.89,4.119,5,0.357,0.54,0.896,0.8407237338085121,0.7947536152422726,0.48306318963744777,0.5329226920704544,0.6628658076896716
EOS-2-08254,Cc1ncc(-c2nc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccc2F)s1,AJFOECVBVPZREK-UHFFFAOYSA-N,2,1,0.461,46,128,453.89,4.385,5,0.39,0.72,1.0,0.5490028099513399,0.6527397025563704,0.41477623192378865,0.4684051812761291,0.521230981426907
EOS-2-08255,Fc1ncccc1-c1cc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)ncn1,NARLGKVFVZTBLQ-UHFFFAOYSA-N,2,1,0.433,18,194,453.89,4.119,5,0.357,0.52,0.877,0.687255842642725,0.6573487081077376,0.5312864094304708,0.587425467754095,0.615829106983757
EOS-2-08256,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccc2F)cs1,PFQUYTPKSFGKCR-UHFFFAOYSA-N,2,1,0.494,4,799,453.89,4.385,5,0.39,0.73,1.0,0.702136591049277,0.7909499006236721,0.5381999177575217,0.5653913371256254,0.6491694366390239
EOS-2-08257,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncccc5Cl)n34)c(F)c2)s1,BXLPGVWUAJXLNH-UHFFFAOYSA-N,2,1,0.512,4,820,453.89,4.385,5,0.39,0.69,1.0,0.627270235076417,0.7342711260365979,0.4553748886299774,0.5256665067507368,0.5856456891234323
EOS-2-08258,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cnn2)cn1,HZGNKOBWWOQBHW-UHFFFAOYSA-N,2,1,0.478,87,778,453.89,4.119,5,0.357,0.57,0.995,0.807946679459941,0.8474916044136797,0.5648944554862586,0.6235179220067165,0.710962665341649
EOS-2-08259,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5cnsc5)ncn4)n23)c1,JTEQKOIHDJFVLE-UHFFFAOYSA-N,2,1,0.512,44,752,453.89,4.119,5,0.382,0.53,1.0,0.5514443835240902,0.5806575971489274,0.6299688163936673,0.6847457336714413,0.6117041326845315
EOS-2-08260,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cncc(-c4csnn4)c3)n12,NWDOTSITTRRPBD-UHFFFAOYSA-N,2,1,0.541,84,749,453.89,4.119,5,0.382,0.66,1.0,0.5463127955589062,0.642382290453019,0.6537420327599205,0.7231769583990131,0.6414035192927147
EOS-2-08261,Fc1ccncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)nn1,IKDDRXRMPBTGEI-UHFFFAOYSA-N,2,1,0.436,54,411,453.89,4.119,5,0.382,0.56,0.998,0.7911983414433555,0.7389143992872319,0.4830717565622644,0.5844441779178946,0.6494071688026867
EOS-2-08262,Fc1ncccc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)s4)n23)ccn1,KJUKVMLEFWDAMO-UHFFFAOYSA-N,2,1,0.518,75,525,453.89,4.119,5,0.357,0.65,1.0,0.7329261188403811,0.7737732163662532,0.4516739771091769,0.4987235282023165,0.6142742101295319
EOS-2-08263,Cc1ncc(-c2cc(F)c(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)s1,LRFDRQKPIXMFED-UHFFFAOYSA-N,2,1,0.489,2,879,453.89,4.385,5,0.39,0.64,1.0,0.6841974504831746,0.7157837022822288,0.5649030224110754,0.590492426838462,0.6388441505037352
EOS-2-08264,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccnc(-c4cnsn4)c3)n12,XCCZOJPDRFADHS-UHFFFAOYSA-N,2,1,0.627,75,276,453.89,4.119,5,0.382,0.61,1.0,0.744945514358166,0.7652234253992187,0.6361027345624015,0.6960540744294428,0.7105814371873073
EOS-2-08265,N=c1[nH]c(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c(F)c2)cs1,YKHJLSGZNDYFAE-UHFFFAOYSA-N,2,1,0.484,1,31,453.89,4.094,5,0.39,0.56,1.0,0.6356486875471181,0.6622832568021383,0.7002004660407101,0.7041669522308273,0.6755748406551985
EOS-2-08266,Cc1csc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)n1,LKICTDXYUVMKSP-UHFFFAOYSA-N,2,1,0.472,4,390,453.89,4.385,5,0.364,0.68,0.977,0.6388013158796518,0.7909584675484888,0.3860941676375848,0.43063360975944076,0.5616218902062915
EOS-2-08267,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)c2)s1,PHERYKQOLXMMEX-UHFFFAOYSA-N,2,1,0.494,16,980,453.89,4.385,5,0.39,0.68,1.0,0.6812761291206908,0.6573572750325544,0.5245956411486533,0.5687238708793092,0.607988229045302
EOS-2-08268,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)cc2F)cn1,FGIYXYZIMDFLPR-UHFFFAOYSA-N,2,1,0.543,16,716,453.89,4.385,5,0.39,0.61,1.0,0.8385049002809951,0.8109879377698581,0.5971146597217463,0.6055530806661641,0.7130401446096908
EOS-2-08269,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)c1,RSQJVBQDFUTAOP-UHFFFAOYSA-N,2,1,0.404,18,194,453.89,4.119,5,0.382,0.65,0.827,0.7712888081694195,0.6768812966897403,0.5181447467617024,0.5905009937632787,0.6392039613460352
EOS-2-08270,Fc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1nccs1,OCKAAGFIFHIPIW-UHFFFAOYSA-N,2,1,0.457,58,954,453.89,4.119,5,0.357,0.65,0.998,0.7021451579740936,0.7479011034199163,0.3485967377150298,0.4178260571585224,0.5541172640668905
EOS-2-08271,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)s1,JDRZPVBBTOYADK-UHFFFAOYSA-N,2,1,0.477,59,483,453.89,4.385,5,0.39,0.79,1.0,0.7387687615653485,0.7947621821670893,0.4830803234870811,0.5621359056952916,0.6446867932287026
EOS-2-08272,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)sc1F,UYLYVYUATWROFO-UHFFFAOYSA-N,2,1,0.488,73,19,453.89,4.385,5,0.39,0.66,1.0,0.7884397916523884,0.7016911109588102,0.3671783976423823,0.380105887190734,0.5593537968610788
EOS-2-08273,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)s1,ACRQTINNLPTZEY-UHFFFAOYSA-N,2,1,0.641,59,483,453.89,4.385,5,0.39,0.8,1.0,0.8359690905352615,0.8600078815708313,0.5414467822630389,0.5905095606880953,0.7069833287643068
EOS-2-08274,Fc1ccc(-c2nnc3cncc(OCCc4ncsc4Cl)n23)cc1-c1cncnc1,AJLVWWZTXXOKRY-UHFFFAOYSA-N,2,1,0.518,37,494,453.89,4.119,5,0.382,0.71,1.0,0.7996110616133233,0.879797477897334,0.5516842574189569,0.6353488451785347,0.7166104105270372
EOS-2-08275,Fc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nccs1,NBVWTVOIPWCSOK-UHFFFAOYSA-N,2,1,0.461,58,578,453.89,4.119,5,0.357,0.63,1.0,0.7940596943321225,0.7989942430265232,0.45538345555479404,0.5024672743472003,0.63772616681516
EOS-2-08276,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)s1,LUCLCEAINYHHBY-UHFFFAOYSA-N,2,1,0.512,24,483,453.89,4.385,5,0.39,0.67,1.0,0.7268778699198136,0.7110975944075115,0.5211603042971695,0.5874340346789116,0.6366424508258516
EOS-2-08277,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(F)c5Cl)n34)ccn2)cs1,JOPIZLCGHLEWAU-UHFFFAOYSA-N,2,1,0.467,24,912,453.89,4.385,5,0.364,0.77,0.999,0.7054262901788774,0.6670807346994723,0.5938934959906792,0.5844527448427113,0.637713316427935
EOS-2-08278,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)s1,KMJREBOMXVINBL-UHFFFAOYSA-N,2,1,0.5,59,483,453.89,4.385,5,0.39,0.72,1.0,0.7537865807689672,0.8148944554862586,0.5144524021657186,0.5813772188335276,0.6661276643136179
EOS-2-08279,FCc1cc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ncn2)ccn1,OQNKOGZVTFDWIG-UHFFFAOYSA-N,2,1,0.402,46,395,453.89,4.407,5,0.376,0.57,0.874,0.5591974504831746,0.5016705503392502,0.5810174079912275,0.5813857857583442,0.5558177986429992
EOS-2-08280,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)s1,GFVOOJRUVAGYHL-UHFFFAOYSA-N,2,1,0.641,59,483,453.89,4.385,5,0.39,0.77,1.0,0.8359776574600781,0.8568209855390309,0.5414553491878555,0.5905181276129121,0.7061930299499691
EOS-2-08281,Fc1cc(-c2cncnc2)c(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,OVDCLZKHAKAUOS-UHFFFAOYSA-N,2,1,0.473,87,215,453.89,4.119,5,0.357,0.65,0.725,0.8333990130902611,0.8149030224110754,0.6004557604002467,0.6439671715441025,0.7231812418614214
EOS-2-08282,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ccn2)nc1,QVGQRNGEELCQMW-UHFFFAOYSA-N,2,1,0.55,75,262,453.89,4.119,5,0.382,0.56,1.0,0.845212802412446,0.7866407374408882,0.46216846000959494,0.5191470769652525,0.6532922692070454
EOS-2-08283,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)s5)nc4)n23)c1,QCEOJWGXJRCHKP-UHFFFAOYSA-N,2,1,0.517,87,304,453.89,4.119,5,0.382,0.67,1.0,0.7627818518264684,0.8568295524638476,0.4008378452470701,0.46517545062024535,0.6214061750394079
EOS-2-08284,Fc1cncc(-c2cccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)c2)c1,QZNCYNKEVPLDMP-UHFFFAOYSA-N,2,1,0.506,37,202,453.89,4.119,5,0.382,0.69,1.0,0.5540572955931738,0.652748269481187,0.3522633815365636,0.5256750736755534,0.5211860050716195
EOS-2-08285,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)c2)cc1,CPELEMQJUHMUAJ-UHFFFAOYSA-N,2,1,0.477,37,503,453.89,4.119,5,0.382,0.72,1.0,0.5286220958124872,0.6330272085532177,0.31151052018367487,0.5024758412720169,0.4939089164553492
EOS-2-08286,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ncn2)ccn1,HQWRTHFXJHKBLD-UHFFFAOYSA-N,2,1,0.419,18,194,453.89,4.119,5,0.357,0.49,0.992,0.6388098828044685,0.6234665204578165,0.5749348913713933,0.6207422383661161,0.6144883832499486
EOS-2-08287,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ncns4)nc3)n12,JZOKYZCNXRFKHZ-UHFFFAOYSA-N,2,1,0.541,84,749,453.89,4.119,5,0.382,0.73,1.0,0.7449540812829827,0.860016448495648,0.5414639161126722,0.6207508052909327,0.6917963127955589
EOS-2-08288,Fc1ccccc1-c1ccnc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)c1,BORJMAKWJNQEBP-UHFFFAOYSA-N,2,1,0.483,19,503,453.89,4.119,5,0.382,0.66,1.0,0.487774998286615,0.5472808580631896,0.2969724487697896,0.48953978479884863,0.45539202247961075
EOS-2-08289,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cn1,PCPPDFCWOFNTMH-UHFFFAOYSA-N,2,1,0.489,87,434,453.89,4.119,5,0.357,0.7,1.0,0.8763021725721335,0.9090620930710712,0.5347817147556713,0.5522582413816737,0.7181010554451375
EOS-2-08290,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)cn1,NFHLXTUBRRMUHQ-UHFFFAOYSA-N,2,1,0.432,44,194,453.89,4.119,5,0.357,0.62,0.993,0.79961962853814,0.7479096703447331,0.52460420807347,0.5781046535535604,0.6625595401274759
EOS-2-08291,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cc(-c4cncs4)ncn3)n12,AFSIWZPRBRSVGM-UHFFFAOYSA-N,2,1,0.523,44,130,453.89,4.119,5,0.382,0.69,0.942,0.6563977794530875,0.6817130422863409,0.5717051607155096,0.6412685902268521,0.6377711431704475
EOS-2-08292,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccnc(-c4cnns4)c3)n12,GYZXVRATZDNSCY-UHFFFAOYSA-N,2,1,0.633,84,749,453.89,4.119,5,0.382,0.63,1.0,0.6132461791515318,0.7016996778836269,0.6095709684051813,0.684754300596258,0.6523177815091494
EOS-2-08293,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4cnc(F)cn4)s3)n12,AFXNYEMCDOYNCF-UHFFFAOYSA-N,2,1,0.506,55,283,453.89,4.385,5,0.39,0.72,1.0,0.6992923720101433,0.8186467685559592,0.44804160098690976,0.5089781372078679,0.61873971969022
EOS-2-08294,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nncs5)nc4)n23)ccc1Cl,OWJATFISXPKGQP-UHFFFAOYSA-N,2,1,0.704,84,360,453.89,4.119,5,0.382,0.78,0.999,0.9137824686450552,0.942644438352409,0.6067353162908642,0.6525340963607703,0.7789240799122746
EOS-2-08295,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cn2)cs1,WAQKFODIXXJJHM-UHFFFAOYSA-N,2,1,0.506,55,283,453.89,4.385,5,0.364,0.71,1.0,0.730090466726064,0.7435662394626825,0.5810259749160441,0.5621444726201082,0.6542067884312248
EOS-2-08296,Fc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5cncs5)c4)n23)cc1Cl,QGECBNNWXMSFJV-UHFFFAOYSA-N,2,1,0.663,84,360,453.89,4.119,5,0.382,0.65,1.0,0.8079552463847577,0.8264426701391269,0.667603317113289,0.7127852785963951,0.7536966280583922
EOS-2-08297,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccnc(-c5nncs5)c4)n23)c1,NAFCJPWTNNHCKB-UHFFFAOYSA-N,2,1,0.605,84,752,453.89,4.119,5,0.382,0.68,1.0,0.6993009389349599,0.8109965046946748,0.5717137276403262,0.6412771571516689,0.6808220821054074
EOS-2-08298,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2)s1,OSNULXAKMWQHOW-UHFFFAOYSA-N,2,1,0.548,43,178,453.89,4.094,5,0.417,0.7,1.0,0.8182098553903091,0.7435748063874992,0.7286340895072305,0.7394455486258653,0.757466074977726
EOS-2-08299,FCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)s1,JUEXZYUGTXKVRI-UHFFFAOYSA-N,2,1,0.456,75,183,453.89,4.407,5,0.352,0.68,1.0,0.5618960318004249,0.5907408676581455,0.4693646768555959,0.4925553423343157,0.5286392296621205
EOS-2-08300,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)ns1,BCDJAGUKOYKMSO-UHFFFAOYSA-N,2,1,0.641,59,294,453.89,4.385,5,0.39,0.73,1.0,0.7176427249674456,0.8032691385100404,0.5246127749982866,0.5813943526831609,0.6567297477897334
EOS-2-08301,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4Cl)n23)n1,ODOGFHGKLNXJFE-UHFFFAOYSA-N,2,1,0.488,4,338,453.89,4.385,5,0.364,0.69,1.0,0.5177592351449524,0.6622918237269549,0.42242649578507296,0.45905866630114456,0.5153840552395312
EOS-2-08302,Cc1csc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)ncn4)n23)n1,GBPOFOBHWNJCRS-UHFFFAOYSA-N,2,1,0.44,44,488,453.89,4.385,5,0.39,0.76,0.998,0.5463213624837229,0.5859862243848948,0.50017990542115,0.5522668083064903,0.5461885751490645
EOS-2-08303,Cc1csc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5F)ncn4)n23)n1,CFQHVYUYIPLJAD-UHFFFAOYSA-N,2,1,0.456,44,488,453.89,4.385,5,0.39,0.7,0.999,0.5619045987252416,0.6191830580494826,0.46937324378041256,0.5359639503803715,0.5466062127338771
EOS-2-08304,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)ncn2)s1,NQIVQJSGORVLLR-UHFFFAOYSA-N,2,1,0.419,44,488,453.89,4.385,5,0.39,0.71,0.983,0.6327445000342677,0.657365841957371,0.5939020629154959,0.6291635254609006,0.6282939825920089
EOS-2-08305,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)ccn2)cs1,KJMJDWJIBWRPFO-UHFFFAOYSA-N,2,1,0.467,24,912,453.89,4.385,5,0.364,0.75,1.0,0.7510194640531834,0.6965680899184429,0.6004643273250634,0.5905266945377288,0.6596446439586047
EOS-2-08306,Fc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c1Cl,YKFJGLLJWCTAPZ-UHFFFAOYSA-N,2,1,0.578,75,698,453.89,4.119,5,0.357,0.67,1.0,0.7656432047152354,0.7990028099513399,0.5246213419231033,0.5557278459324241,0.6612488006305257
EOS-2-08307,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cnn2)cs1,NPEVDOOADFURIS-UHFFFAOYSA-N,2,1,0.5,34,659,453.89,4.385,5,0.39,0.72,0.996,0.7627904187512851,0.8716331985470496,0.5682698238640258,0.6149852648893154,0.7044196765129189
EOS-2-08308,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cnsc5)c4)n23)nc1Cl,YFWZCKUUQWIKIV-UHFFFAOYSA-N,2,1,0.517,75,496,453.89,4.119,5,0.357,0.53,1.0,0.705434857103694,0.7017082448084435,0.564911589335892,0.5994191624974299,0.6428684634363648
EOS-2-08309,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)s1,CKYVXFUMXMHYLC-UHFFFAOYSA-N,2,1,0.548,44,488,453.89,4.385,5,0.39,0.7,0.955,0.7419385237475156,0.6916421081488588,0.6184891371393325,0.6353574121033514,0.6718567952847646
EOS-2-08310,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)n1,GOSUZJGMAAIQMN-UHFFFAOYSA-N,2,1,0.43,46,500,453.89,4.385,5,0.39,0.63,1.0,0.6444383524090193,0.6234750873826331,0.49660749777259955,0.5458758823932561,0.577599204989377
EOS-2-08311,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cnsc5)ncn4)n23)ccc1Cl,DVWMKFXRXSLYLJ-UHFFFAOYSA-N,2,1,0.59,44,308,453.89,4.119,5,0.382,0.61,0.999,0.6812846960455075,0.6095452676307312,0.6676118840381057,0.7041755191556439,0.6656543417174972
EOS-2-08312,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)ccn2)s1,JOEHZYXBSQXCKJ-UHFFFAOYSA-N,2,1,0.488,2,980,453.89,4.385,5,0.39,0.71,1.0,0.714464395860462,0.6817216092111575,0.5874426016037283,0.5964892742101295,0.6450294702213692
EOS-2-08313,Fc1cnccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)nn1,TVUDLUOGCYTRJV-UHFFFAOYSA-N,2,1,0.441,54,411,453.89,4.119,5,0.382,0.57,0.715,0.8026437529984237,0.6916506750736755,0.4795850181618806,0.57499485984511,0.6372185765197724
EOS-2-08314,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)nc1,IEZZODYJSFYUFO-UHFFFAOYSA-N,2,1,0.484,87,491,453.89,4.119,5,0.382,0.7,1.0,0.8612843533685148,0.8110050716194914,0.45865602083476115,0.5191556438900692,0.6625252724282091
EOS-2-08315,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(Cl)ccnc5F)n34)ccn2)s1,GGMNQDZKBCUKRF-UHFFFAOYSA-N,2,1,0.472,75,43,453.89,4.385,5,0.364,0.74,1.0,0.7208981563977794,0.6817301761359742,0.5649201562607087,0.5687324378041259,0.634070231649647
EOS-2-08316,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)nn2)ccc1Cl,BMOICWOCKZRKNO-UHFFFAOYSA-N,2,1,0.547,54,691,453.89,4.119,5,0.382,0.76,0.85,0.7798300322116373,0.7567764375299842,0.4295284764580906,0.5490113768761565,0.6287865807689672
EOS-2-08317,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1-c1cccc(Cl)c1,LORQWWNAMGYAMN-UHFFFAOYSA-N,2,1,0.38,69,38,453.893,5.167,6,0.366,0.71,1.0,0.18265540401617436,0.2498115276540333,0.6867418271537249,0.7601004043588514,0.46982729079569596
EOS-2-08318,N#CCc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,IDHQFJOBKSJHGG-UHFFFAOYSA-N,2,1,0.547,1,372,453.893,4.547,5,0.371,0.78,1.0,0.9013689945857035,0.9684651497498458,0.7625505448564184,0.7911041052703721,0.855872198615585
EOS-2-08319,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6)c5)n34)cc2)o1,MOXMJNABAFKHPZ-UHFFFAOYSA-N,2,1,0.364,3,668,453.893,5.261,6,0.362,0.73,1.0,0.07159379069289287,0.2911812075937222,0.7439688849290659,0.757478925364951,0.46605570214515796
EOS-2-08320,Cn1cc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(-c2cccc(Cl)c2)n1,WPQHOQHTPAVNQX-UHFFFAOYSA-N,2,1,0.362,69,38,453.893,5.167,6,0.366,0.7,1.0,0.13038859570968406,0.25490884791995067,0.6760931396066068,0.7472500171338496,0.45216015009252275
EOS-2-08321,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cccnc1,FUQBCSMCAYISCO-UHFFFAOYSA-N,2,1,0.545,35,201,453.893,4.395,5,0.351,0.71,1.0,0.9637105064765952,0.964618600507162,0.8326965252552944,0.8313515180590775,0.8980942875745322
EOS-2-08322,Cn1cc(-c2cc(-c3nnc4cncc(-c5cccc(-c6ncco6)c5)n34)ccc2Cl)cn1,QWZUIAZKHCABMC-UHFFFAOYSA-N,2,1,0.333,3,192,453.893,5.167,6,0.366,0.67,1.0,0.24898053594681652,0.36958570351586595,0.7790161743540539,0.7865122335686382,0.5460236618463437
EOS-2-08323,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnc5C#N)cn4)n23)ccc1Cl,XTPVLHHGGGSZNM-UHFFFAOYSA-N,2,1,0.588,4,744,453.893,4.661,5,0.381,0.67,1.0,0.7940682612569392,0.9022685216914537,0.8293040230278939,0.802378178329107,0.8320047460763484
EOS-2-08324,N#Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)c1,INYAVSCXEHQJOJ-UHFFFAOYSA-N,2,1,0.529,11,201,453.893,4.395,5,0.351,0.77,1.0,0.9364848194092249,0.9586217531354945,0.802455280652457,0.8087177026934411,0.8765698889726543
EOS-2-08325,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)cn1,DVSSVDAEOZWZRR-UHFFFAOYSA-N,2,1,0.667,11,73,453.893,4.395,5,0.375,0.79,1.0,0.9612260982797615,0.9646271674319786,0.7937427181139058,0.8002278802001234,0.8799559660064423
EOS-2-08326,Cn1cc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4Cl)n23)c(-c2ccccc2)n1,WOOQSABENZAETJ-UHFFFAOYSA-N,2,1,0.321,30,38,453.893,5.167,6,0.366,0.71,1.0,0.14644301281611952,0.259826262764718,0.6511462545404701,0.7231855253238297,0.4451502638612843
EOS-2-08327,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(Cl)c1,UDUPKEYNCVWLNH-UHFFFAOYSA-N,2,1,0.329,41,38,453.893,5.167,6,0.366,0.76,1.0,0.35380542800356385,0.3550818998012473,0.7414502090329655,0.7574874922897676,0.5519562572818861
EOS-2-08328,Cn1cc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(-c2ccc(Cl)cc2)n1,VKOMCLXCAZYYOH-UHFFFAOYSA-N,2,1,0.364,69,38,453.893,5.167,6,0.366,0.71,1.0,0.17975978342814064,0.3260828592968268,0.6894661092454253,0.7574960592145843,0.48820120279624424
EOS-2-08329,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6)c5)n34)cc2)n[nH]1,GYBUHGCEJQBISA-UHFFFAOYSA-N,2,1,0.347,3,150,453.897,4.391,6,0.424,0.77,1.0,0.02240250839558632,0.18198718388047427,0.5281337810979371,0.5874426016037283,0.3299915187444315
EOS-2-08330,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)cc1,MWLUBQAOPJYPIT-UHFFFAOYSA-N,2,1,0.326,3,289,453.897,4.093,6,0.399,0.73,1.0,0.05331197313412377,0.19053697484750873,0.4043845521211706,0.49256390925913235,0.2851993523404839
EOS-2-08331,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3cn(-c4cccc(Cl)c4)nn3)n12,MQCJYDJHVGMZSD-UHFFFAOYSA-N,2,1,0.294,10,39,453.897,4.093,6,0.399,0.7,0.969,0.0043348639572339115,0.09557261325474607,0.2969810156946063,0.4684137482009458,0.216325560276883
EOS-2-08332,Cn1cc(-c2cncc(Cl)c2)nc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)cc3)n12,NNAPANDOUNQXOX-UHFFFAOYSA-N,2,1,0.284,42,725,453.897,4.297,6,0.427,0.63,0.627,0.19945514358165992,0.29118977451853884,0.4586645877595778,0.5293245836474539,0.36965852237680763
EOS-2-08333,Cn1cc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(-c2cccc(Cl)c2)n1,VOJOCICPGSQJQO-UHFFFAOYSA-N,2,1,0.333,10,39,453.897,4.093,6,0.399,0.73,0.999,0.00821568089918443,0.11748680693578233,0.35604139538071417,0.5024844081968337,0.24605707285312867
EOS-2-08334,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6)c5)n34)cn2)cn1,SHOMQGDKEWMWEO-UHFFFAOYSA-N,2,1,0.347,10,673,453.897,4.093,6,0.399,0.76,0.998,0.01836748680693578,0.1652645466383387,0.60047289424988,0.6382444657665685,0.3555873483654307
EOS-2-08335,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)c6)nn5)n34)cc2)n[nH]1,LUTDEYXNVMZSBA-UHFFFAOYSA-N,2,1,0.304,3,783,453.897,4.391,6,0.424,0.63,1.0,0.034027825371804536,0.2043040230278939,0.5382084846823384,0.6207593722157494,0.34932492632444656
EOS-2-08336,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(Cl)cc5)n4)n23)cc1,BBNLKZWTEIFZTL-UHFFFAOYSA-N,2,1,0.35,3,289,453.897,4.093,6,0.399,0.71,1.0,0.06038825303269139,0.20918717017339455,0.41851997806867247,0.4987320951271332,0.2967068741004729
EOS-2-08337,Cn1nccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cc4)n23)nn1,PGEPBSWVHMNDRA-UHFFFAOYSA-N,2,1,0.373,3,774,453.897,4.093,6,0.399,0.79,1.0,0.01255054485641834,0.20919573709821124,0.4656466314851621,0.5994277294222465,0.3217051607155096
EOS-2-08338,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(Cl)cc6)nn5)n34)cc2)n[nH]1,MMGXKRJSDWGEKF-UHFFFAOYSA-N,2,1,0.326,3,783,453.897,4.391,6,0.424,0.63,1.0,0.02917037900075389,0.19512884654924267,0.5516928243437735,0.6291720923857173,0.35129103556987185
EOS-2-08339,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1-c1cccc(Cl)c1,CVHSBIUDXXWSHK-UHFFFAOYSA-N,2,1,0.361,9,7,453.897,4.297,6,0.427,0.68,1.0,0.09139195394421218,0.2754951682544034,0.538217051607155,0.614993831814132,0.3800245014049757
EOS-2-08340,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)cc1,TWHRQNMPNNEMFY-UHFFFAOYSA-N,2,1,0.322,3,289,453.897,4.093,6,0.399,0.74,1.0,0.05332054005894044,0.22949934891371393,0.48308889041189773,0.5687410047289425,0.33366244602837364
EOS-2-08341,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cc1,NSKJZHPVOIUIBO-UHFFFAOYSA-N,2,1,0.326,3,115,453.897,4.093,6,0.399,0.73,1.0,0.0367264066890549,0.16136659584675486,0.4758412720169968,0.5621530395449249,0.30902182852443283
EOS-2-08342,COc1cc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)ccc1-c1cnc(C)o1,KXVLJMHVIVJIRI-UHFFFAOYSA-N,2,1,0.535,16,83,453.911,5.057,5,0.355,0.67,1.0,0.7329346857651977,0.6527568364060037,0.6814131999177575,0.5428945925570557,0.6524998286615037
EOS-2-08343,COc1cc(-c2nnc3cncc(OCc4cc(-c5cnco5)sc4C)n23)ccc1Cl,IWKZYRCKKRQAKI-UHFFFAOYSA-N,2,1,0.5,16,67,453.911,5.057,5,0.355,0.68,1.0,0.8261256939209102,0.7909670344733054,0.6703704338290727,0.565399904050442,0.7132157665684327
EOS-2-08344,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ncoc5C)s4)n23)ccc1Cl,HJLPYZGUCXZFNQ-UHFFFAOYSA-N,2,1,0.511,4,67,453.911,5.057,5,0.355,0.73,1.0,0.7449626482077993,0.8186553354807758,0.5581437187307244,0.4744791309711466,0.6490602083476116
EOS-2-08345,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ccno1,OPVKCFSGKZNNAI-UHFFFAOYSA-N,2,1,0.552,15,103,453.911,4.791,5,0.35,0.66,1.0,0.8129925981769583,0.7248475087382633,0.5971232266465629,0.532931258995271,0.6669736481392639
EOS-2-08346,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cocn1,NXDDJQHJIDCNPI-UHFFFAOYSA-N,2,1,0.551,11,777,453.911,4.791,5,0.35,0.69,1.0,0.8839952710575012,0.807227057775341,0.5810345418408608,0.5126019464053183,0.6962147042697553
EOS-2-08347,COc1cc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)ccc1-c1cnnn1C,ROPRVKGCYCTCJE-UHFFFAOYSA-N,2,1,0.494,16,940,453.915,3.889,5,0.385,0.69,1.0,0.48032177369611406,0.5061596189431842,0.4966160646974162,0.41783462408333905,0.47523302035501336
EOS-2-08348,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1O,SMECTANJALLZLM-UHFFFAOYSA-N,2,1,0.495,15,475,453.915,3.629,5,0.418,0.55,1.0,0.587425467754095,0.6191916249742992,0.34860530463984646,0.367418271537249,0.48066016722637245
EOS-2-08349,COc1cc(-c2nnc3cncc(OCc4nc(-c5cnn(C)c5)cs4)n23)ccc1Cl,ACDQYQLBQYMLSY-UHFFFAOYSA-N,2,1,0.506,4,67,453.915,3.889,5,0.385,0.75,1.0,0.3905746693167021,0.6095538345555479,0.4110838873278048,0.34786854910561305,0.439770235076417
EOS-2-08350,COc1cc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)cs4)n23)ccc1Cl,NJDHMYDGHWHDSW-UHFFFAOYSA-N,2,1,0.5,36,67,453.915,3.889,5,0.385,0.58,1.0,0.4327239394147077,0.6234836543074498,0.4866612980604482,0.42424268384620656,0.4917778939072031
EOS-2-08351,Cn1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)cc1CO,HXXBUEYLAMSTNB-UHFFFAOYSA-N,2,1,0.494,4,486,453.915,3.373,5,0.42,0.62,1.0,0.36769241313138235,0.47430779247481325,0.3408094030566788,0.33183983277362755,0.3786623603591255
EOS-2-08352,COc1cc(-c2nnc3cncc(OCc4csc(-c5cnn(C)c5)n4)n23)ccc1Cl,YBKAVKVZLUYRGL-UHFFFAOYSA-N,2,1,0.506,4,67,453.915,3.889,5,0.385,0.73,1.0,0.39917586183263654,0.6000531149338634,0.3897693783839353,0.3284130628469605,0.4293528544993489
EOS-2-08353,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cc[nH]n1,RLCGEAVOOLGJJW-UHFFFAOYSA-N,2,1,0.42,49,954,453.915,3.921,5,0.398,0.52,0.989,0.6475567130422863,0.6281269275580837,0.2532468645055171,0.23793776985813173,0.4417170687410047
EOS-2-08354,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)ccn1,VSTBPHHAMBCCJT-UHFFFAOYSA-N,2,1,0.506,92,779,453.919,3.022,5,0.386,0.63,1.0,0.3154170379000754,0.38384963333561783,0.0337708176273045,0.049739565485573296,0.19569426358714276
EOS-2-08355,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)c1,JQHBQVZRCDLARB-UHFFFAOYSA-N,2,1,0.37,31,211,453.919,3.196,5,0.369,0.7,1.0,0.22976492358303063,0.23423685833733124,0.03640943047083819,0.060970803920224796,0.14034550407785623
EOS-2-08356,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)c2)nn1C,RBLLYGPKKKNAPP-UHFFFAOYSA-N,2,1,0.523,36,931,453.919,3.022,5,0.386,0.66,1.0,0.3538139949283805,0.4612774998286615,0.014435268316085258,0.022531012267836336,0.2130144438352409
EOS-2-08357,CCn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ncn1,DCDTWAPECBMELG-UHFFFAOYSA-N,2,1,0.398,31,194,453.919,3.196,5,0.369,0.63,0.887,0.372241450209033,0.25983482968953464,0.03241724350627099,0.05793811253512439,0.18060790898499074
EOS-2-08358,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4nnc(Cl)s4)n23)ccn1,BEPYBJDNHFYSLK-UHFFFAOYSA-N,2,1,0.489,31,779,453.919,3.022,5,0.386,0.63,1.0,0.39058323624151875,0.3695942704406826,0.03242581043108766,0.04060722363100541,0.20830263518607361
EOS-2-08359,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ncsc4Cl)n23)ncn1,AECUJNTVNXMKBM-UHFFFAOYSA-N,2,1,0.37,31,194,453.919,3.196,5,0.369,0.6,0.793,0.35622130080186415,0.2598433966143513,0.05411726406689055,0.07286169556575972,0.18576091426221641
EOS-2-08360,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cs1,NHVLPXZZRZCXDA-UHFFFAOYSA-N,2,1,0.517,11,848,453.98,5.56,5,0.336,0.78,1.0,0.7996281954629566,0.8302977863066274,0.4830974573367144,0.5058255088753341,0.654712236995408
EOS-2-08361,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cc2)cs1,AVHJXUFNALFNPZ-UHFFFAOYSA-N,2,1,0.556,15,684,453.98,5.56,5,0.336,0.68,1.0,0.872241450209033,0.8903347954218354,0.5517013912685902,0.5621616064697417,0.7191098108423
EOS-2-08362,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)s1,DDIHUNIDKKZFCH-UHFFFAOYSA-N,2,1,0.534,15,655,453.98,5.56,5,0.336,0.73,1.0,0.7884483585772051,0.8110136385443081,0.49662463162223286,0.5191642108148858,0.653812709889658
EOS-2-08363,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)cs1,WZIQAJWYNWQONE-UHFFFAOYSA-N,2,1,0.537,15,684,453.98,5.56,5,0.336,0.7,1.0,0.7268864368446303,0.7780309780001371,0.5312949763552876,0.552275375231307,0.6471219416078404
EOS-2-08364,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)cn1,ZRRQODMGJPWMOX-UHFFFAOYSA-N,2,1,0.566,15,519,445.914,4.345,5,0.346,0.71,1.0,0.5563617983688575,0.604653553560414,0.5649287231855253,0.5359725173051881,0.5654791481049962
EOS-2-08365,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2Cl)cn1,BBZRLQOQGRNIJZ-UHFFFAOYSA-N,2,1,0.602,35,545,445.914,4.345,5,0.37,0.67,1.0,0.5463299294085395,0.580666164073744,0.5843156740456446,0.5687495716537592,0.5700153347954218
EOS-2-08366,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nn1C,BXTDUWFCVXDBJR-UHFFFAOYSA-N,2,1,0.566,15,628,445.914,4.17,5,0.365,0.73,1.0,0.5934308820505791,0.6281354944829004,0.49663319854704957,0.45272770886162705,0.5427318209855391
EOS-2-08367,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,KAZASXOOYYDORA-UHFFFAOYSA-N,2,1,0.517,26,438,445.914,4.345,5,0.346,0.7,1.0,0.6215560962236996,0.5613734493866082,0.5614676855595915,0.5359810842300048,0.570094578849976
EOS-2-08368,CCn1nc(-c2ccnc(Cl)c2)cc1COc1cncc2nnc(-c3ccc(C)cc3)n12,FSBMAOODHSIVFA-UHFFFAOYSA-N,2,1,0.494,89,731,445.914,4.611,5,0.355,0.77,1.0,0.4491981358371599,0.4828918511411144,0.4261188403810568,0.42754951682544035,0.4464395860461929
EOS-2-08369,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cn2)cn1,WSCYPVHVOUEKEB-UHFFFAOYSA-N,2,1,0.65,84,73,445.914,4.345,5,0.37,0.76,1.0,0.47808580631896375,0.5953241724350627,0.5211688712219862,0.5191727777397026,0.5284379069289289
EOS-2-08370,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cn1,YQZASCRPIXAWJI-UHFFFAOYSA-N,2,1,0.639,84,73,445.914,4.345,5,0.37,0.74,1.0,0.3792320608594339,0.3980193269823864,0.564937290110342,0.5750034267699267,0.47929802618052225
EOS-2-08371,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4C)n23)ccn1,XUJJQPRZUGOOFX-UHFFFAOYSA-N,2,1,0.457,24,624,445.914,4.611,5,0.379,0.66,1.0,0.46550099376327875,0.4654752929888287,0.6004814611746967,0.5590261119868412,0.5226209649784113
EOS-2-08372,Cc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4)n23)n1,QCKVZFGSFYPHQZ-UHFFFAOYSA-N,2,1,0.518,15,519,445.914,4.17,5,0.39,0.72,1.0,0.6160989651154821,0.6916592419984923,0.5107172229456515,0.4865242272633815,0.5762499143307519
EOS-2-08373,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)ccn2)nn1C,PVTYSYSIQDCXNI-UHFFFAOYSA-N,2,1,0.688,84,241,445.914,4.17,5,0.39,0.72,1.0,0.5463384963333562,0.5907494345829621,0.4795935850866973,0.46842231512576243,0.5212759577821945
EOS-2-08374,CCn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2)n1,KCGAFBVLIPBOMY-UHFFFAOYSA-N,2,1,0.544,15,889,445.914,4.345,5,0.37,0.72,1.0,0.5934394489753958,0.6573744088821877,0.4261274073058735,0.4369131656500583,0.5284636077033789
EOS-2-08375,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)cn1,CBWAJZYPPSXBKK-UHFFFAOYSA-N,2,1,0.631,84,73,445.914,4.345,5,0.37,0.74,1.0,0.47034130628469606,0.5379172092385717,0.5037266122952505,0.512610513330135,0.5061489102871632
EOS-2-08376,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,SGUHLNUCTKIIRD-UHFFFAOYSA-N,2,1,0.671,91,520,445.914,4.345,5,0.37,0.75,1.0,0.8261342608457268,0.8186639024055925,0.4586731546843945,0.5058340758001508,0.6523263484339662
EOS-2-08377,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,XRKQSXKSYCWWEZ-UHFFFAOYSA-N,2,1,0.722,91,520,445.914,4.345,5,0.37,0.71,1.0,0.8261428277705435,0.8264512370639435,0.45868172160921117,0.5089867041326845,0.6550656226440956
EOS-2-08378,Cc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4cnn(C)c4)nc3)n12,LNEDTDUSPAUPSW-UHFFFAOYSA-N,2,1,0.553,84,73,445.914,4.17,5,0.39,0.74,1.0,0.517767802069769,0.6573829758070043,0.6215046946747995,0.5750119936947433,0.592916866561579
EOS-2-08379,CCn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)n1,KDSGOYWLXJHXQJ-UHFFFAOYSA-N,2,1,0.551,15,889,445.914,4.345,5,0.37,0.71,1.0,0.6187889795079159,0.657391542731821,0.4224350627098897,0.4213384963333562,0.5299885203207457
EOS-2-08380,Cc1cc(-c2nnc3cncc(OCc4c(-c5ccccn5)nn(C)c4C)n23)ccc1Cl,RLBQQJOFFCLQBE-UHFFFAOYSA-N,2,1,0.5,4,677,445.914,4.436,5,0.398,0.67,1.0,0.4012918922623535,0.5953327393598794,0.3298865739154273,0.36402576930984853,0.4226342437118772
EOS-2-08381,Cc1c(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cnn1C,AZDRYCHJBRLKBT-UHFFFAOYSA-N,2,1,0.646,84,73,445.914,4.17,5,0.39,0.78,1.0,0.4121718867795216,0.4743163593996299,0.5581522856555411,0.5458844493180728,0.4976312452881913
EOS-2-08382,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cn1,OFRNQUYTBRDQQR-UHFFFAOYSA-N,2,1,0.566,15,519,445.914,4.345,5,0.346,0.72,1.0,0.5308751970392708,0.6095624014803646,0.5517099581934068,0.5223596737715029,0.5536268076211363
EOS-2-08383,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2Cl)cn1,RWWNPOBYRQRDOA-UHFFFAOYSA-N,2,1,0.59,35,545,445.914,4.345,5,0.37,0.63,1.0,0.6075920087725311,0.7111061613323282,0.5614762524844082,0.5590346789116579,0.6098022753752314
EOS-2-08384,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)cn1,ODXZORZRDFGXDZ-UHFFFAOYSA-N,2,1,0.712,84,329,445.914,4.345,5,0.37,0.73,1.0,0.41910252895620587,0.407468645055171,0.5144609690905353,0.5223682406963196,0.46585009594955795
EOS-2-08385,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)cn1,RWHZNYQSAGOXLV-UHFFFAOYSA-N,2,1,0.558,15,519,445.914,4.345,5,0.37,0.72,1.0,0.5151720238503187,0.60006168185868,0.5483517236652731,0.5359896511548214,0.5498937701322733
EOS-2-08386,CCn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)c1,KQIJNOQTROSQQI-UHFFFAOYSA-N,2,1,0.474,15,561,445.914,4.345,5,0.346,0.7,1.0,0.5078473031320677,0.5379257761633884,0.4445462956617093,0.43389760811459116,0.4810542457679391
EOS-2-08387,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nn1C,BLEZXFIHAPTQKC-UHFFFAOYSA-N,2,1,0.737,91,742,445.914,4.17,5,0.39,0.79,1.0,0.5514529504489069,0.6281440614077171,0.34081796998149544,0.3862826399835515,0.4766744054554177
EOS-2-08388,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cn1,DLNJHQLOJWEWFY-UHFFFAOYSA-N,2,1,0.627,84,864,445.914,4.345,5,0.37,0.78,1.0,0.672143787266123,0.6720324172435063,0.5211774381468028,0.5223768076211364,0.5969326125693921
EOS-2-08389,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,VFEHBRCREHXWNJ-UHFFFAOYSA-N,2,1,0.469,26,561,445.914,4.345,5,0.346,0.7,1.0,0.5732472071825098,0.5424062778425056,0.45168254403399355,0.4527362757864437,0.5050180762113632
EOS-2-08390,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,PEENEOULLRSNRL-UHFFFAOYSA-N,2,1,0.548,15,438,445.914,4.345,5,0.346,0.67,1.0,0.38619697073538484,0.4435782331574258,0.5483602905900897,0.5293331505722706,0.4768671612637927
EOS-2-08391,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cn2)n(C)n1,FLZUKJVFRWINQD-UHFFFAOYSA-N,2,1,0.688,84,73,445.914,4.17,5,0.39,0.73,1.0,0.6629343430882051,0.7342796929614146,0.4831060242615311,0.4744876978959633,0.5887019395517785
EOS-2-08392,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,SZRNRCNVCZHTQK-UHFFFAOYSA-N,2,1,0.516,15,545,445.914,4.345,5,0.37,0.66,1.0,0.4077342197244877,0.47432492632444656,0.47960215201151396,0.4865327941881982,0.4620485230621616
EOS-2-08393,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,ONNOYYLTZHZLGU-UHFFFAOYSA-N,2,1,0.679,91,742,445.914,4.345,5,0.37,0.75,1.0,0.505285792611884,0.5424148447673223,0.37107634843396614,0.4464395860461929,0.4663041429648413
EOS-2-08394,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nn1C,ZOIGADXIBPXMRZ-UHFFFAOYSA-N,2,1,0.522,15,628,445.914,4.17,5,0.39,0.75,1.0,0.5563703652936742,0.6330357754780344,0.44085395106572545,0.427558083750257,0.5144545438969227
EOS-2-08395,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,LKJDMAHEKHOCNL-UHFFFAOYSA-N,2,1,0.516,26,619,445.914,4.345,5,0.37,0.71,1.0,0.6076005756973477,0.5472894249880063,0.544873552189706,0.5359982180796381,0.5589404427386745
EOS-2-08396,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,HJZSNHCZSDNJBW-UHFFFAOYSA-N,2,1,0.54,15,669,445.914,4.345,5,0.346,0.78,1.0,0.8334075800150778,0.72485607566308,0.5649458570351586,0.5293417174970872,0.6631378075526009
EOS-2-08397,Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)n(C)n4)n23)cn1,FRFVOFWKRNJFAH-UHFFFAOYSA-N,2,1,0.553,95,266,445.914,4.17,5,0.39,0.76,1.0,0.48540196011239806,0.5287420327599205,0.47270577753409637,0.4836371736001645,0.4926217360016449
EOS-2-08398,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,PMWFSKJDDITVGE-UHFFFAOYSA-N,2,1,0.609,26,328,445.914,4.345,5,0.37,0.74,1.0,0.50033411006785,0.49725001713384964,0.57494345829621,0.5814029196079775,0.5384826262764718
EOS-2-08399,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,KJMMXCTYUIUZMZ-UHFFFAOYSA-N,2,1,0.523,26,669,445.914,4.345,5,0.346,0.72,1.0,0.6018264683709136,0.5565331368651909,0.5483688575149065,0.5191813446645193,0.5564774518538825
EOS-2-08400,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)c1,ITHSEFUVHMYWLV-UHFFFAOYSA-N,2,1,0.5,26,438,445.914,4.345,5,0.346,0.66,1.0,0.6215646631485162,0.5753546706874101,0.5107257898704681,0.5058426427249675,0.5533719416078404
EOS-2-08401,CCn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)c1,SKSGFSAZPHABQT-UHFFFAOYSA-N,2,1,0.5,15,589,445.914,4.345,5,0.37,0.68,1.0,0.5003426769926667,0.547297991912823,0.48311459118634775,0.47449626482077994,0.5013128812281543
EOS-2-08402,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,OXFUQSFSYIPOQL-UHFFFAOYSA-N,2,1,0.489,15,561,445.914,4.345,5,0.346,0.66,1.0,0.39273353437050235,0.44817010485915976,0.4408625179905421,0.44308991844287576,0.43121401891577
EOS-2-08403,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)n(C)n4)n23)n1,QUGCPICLJQNKNJ-UHFFFAOYSA-N,2,1,0.473,95,266,445.914,4.17,5,0.39,0.77,1.0,0.442130422863409,0.4875779590158317,0.37497429922555,0.40827393598793776,0.4282391542731821
EOS-2-08404,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2Cl)cn1,GNNHQMGPYBNRSM-UHFFFAOYSA-N,2,1,0.598,35,545,445.914,4.345,5,0.37,0.66,1.0,0.564860187786992,0.6866989925296415,0.5906294976355287,0.5781132204783771,0.6050754746076348
EOS-2-08405,CCc1nc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1cnn(CC)c1,LPIGGBCMPQISLN-UHFFFAOYSA-N,2,1,0.484,13,374,445.914,5.078,5,0.362,0.7,0.992,0.3353265711740114,0.4481786717839764,0.38241038996641763,0.4082825029127544,0.39354953395928993
EOS-2-08406,Cc1ncccc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)nn1C,ZMKUGNJODUSYJP-UHFFFAOYSA-N,2,1,0.598,95,54,445.914,4.17,5,0.39,0.71,0.999,0.3905918031663354,0.45234219724487695,0.42244362963470633,0.45274484271126036,0.4295306181892948
EOS-2-08407,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cn1,SPINABRSRFUGMD-UHFFFAOYSA-N,2,1,0.609,84,73,445.914,4.345,5,0.37,0.77,1.0,0.6132547460763484,0.6046621204852306,0.5037351792200672,0.5160458501816189,0.5594244739908163
EOS-2-08408,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,IHVUMVSBKSMTBS-UHFFFAOYSA-N,2,1,0.548,15,545,445.914,4.345,5,0.346,0.74,1.0,0.3970940991021863,0.45235076416969366,0.5347902816804879,0.5126190802549517,0.4742135563018299
EOS-2-08409,CCn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(Cl)cc1,KOYMACVJNZGWMB-UHFFFAOYSA-N,2,1,0.541,95,835,445.914,4.345,5,0.37,0.83,1.0,0.367700980056199,0.4028939072030704,0.37887225001713387,0.4557689671715441,0.4013090261119868
EOS-2-08410,CC(C)c1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccccc3)n12,JKNYOENEPOLJCA-UHFFFAOYSA-N,2,1,0.603,1,709,445.91,5.802,5,0.328,0.74,1.0,0.7856898087862381,0.7652319923240354,0.6215132615996162,0.6023233500102803,0.6936896031800426
EOS-2-08411,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5c(C)coc5C)nc4)n23)ccc1Cl,BJKJHLGLLUVZPY-UHFFFAOYSA-N,2,1,0.56,16,214,445.91,5.604,5,0.35,0.72,0.997,0.7940768281817558,0.760700089096018,0.7790247412788706,0.6933297923377424,0.7567828627235967
EOS-2-08412,N#Cc1sccc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,BPVDKHAFDXZGHZ-UHFFFAOYSA-N,2,1,0.457,55,879,445.895,4.414,5,0.394,0.7,1.0,0.7537951476937839,0.7990113768761565,0.7102494688506613,0.7127938455212117,0.7439624597354533
EOS-2-08413,N#Cc1ncc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)s1,JBYIXLKRFIVOGM-UHFFFAOYSA-N,2,1,0.506,97,666,445.895,4.414,5,0.394,0.77,1.0,0.6931241861421424,0.7111147282571448,0.5810431087656774,0.620767939140566,0.6515124905763827
EOS-2-08414,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnc(-c4ccns4)s3)n12,NABRKUWTLRXQNT-UHFFFAOYSA-N,2,1,0.561,4,10,445.892,4.138,5,0.401,0.64,1.0,0.5385682955246385,0.7780395449249538,0.2352049208416147,0.40829106983757113,0.4900259577821945
EOS-2-08415,Fc1nc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)s5)n34)ccn2)cs1,QSSJVFHXACUFSN-UHFFFAOYSA-N,2,1,0.506,24,486,445.892,4.138,5,0.401,0.6,1.0,0.7268950037694469,0.6476509492152697,0.34861387156466317,0.3831814131999178,0.5265853094373244
EOS-2-08416,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cnns5)s4)n23)ccc1Cl,XDVNQRZPPHBOAB-UHFFFAOYSA-N,2,1,0.562,4,391,445.892,4.138,5,0.401,0.62,1.0,0.5759115208004935,0.7567850044548009,0.42953704338290727,0.5522839421561236,0.5786293776985814
EOS-2-08417,CC1(n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)c(F)c6)cn5)n34)cn2)CC1,VIFYIMOOARDBBD-UHFFFAOYSA-N,2,1,0.292,82,523,445.889,5.018,6,0.388,0.68,0.999,0.1712014255362895,0.2804725515728874,0.46565519840997877,0.7258926735658968,0.41080546227126313
EOS-2-08418,Cc1ncc(-c2cccc(-c3nnc4cncc(CNc5ccc(Cl)cc5F)n34)c2)cn1,GQSQVDQNBUJKNI-UHFFFAOYSA-N,2,1,0.34,14,291,445.889,4.961,5,0.411,0.75,1.0,0.20216229182372694,0.23992529641559865,0.8107137961757248,0.798120416695223,0.5127304502775684
EOS-2-08419,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c2)nc1,WECDXPBDMSRZGZ-UHFFFAOYSA-N,2,1,0.667,57,732,445.885,5.267,5,0.356,0.84,1.0,0.9467736961140429,0.9452487834966761,0.8958347611541361,0.9143564526077719,0.9255534233431567
EOS-2-08420,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)ccc1Cl,DFTAYTKQRJVUFF-UHFFFAOYSA-N,2,1,0.757,57,732,445.885,5.267,5,0.356,0.82,1.0,0.9755242957987801,0.9684737166746624,0.8992872318552533,0.9132341854567885,0.9391298574463711
EOS-2-08421,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)cn1,POAHZXYVAFAULF-UHFFFAOYSA-N,2,1,0.711,57,660,445.885,5.267,5,0.333,0.82,1.0,0.9374785826879584,0.9612860667534782,0.9213042286340896,0.9313360975944075,0.9378512439174834
EOS-2-08422,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cn2)c1,UPKQHIPVXIITEY-UHFFFAOYSA-N,2,1,0.684,57,732,445.885,5.267,5,0.356,0.89,1.0,0.947621821670893,0.9786683572064971,0.9016688369542869,0.9230004797477898,0.9377398738948668
EOS-2-08423,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)ccc1Cl,PMHDWOKXHVOJOI-UHFFFAOYSA-N,2,1,0.76,91,883,445.885,5.267,5,0.356,0.8,1.0,0.9460026728805428,0.9243797546432733,0.9284576108560071,0.9355767253786581,0.9336041909396203
EOS-2-08424,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccccc1,QZBLWSGSADGPPD-UHFFFAOYSA-N,2,1,0.625,57,660,445.885,5.267,5,0.356,0.74,1.0,0.9704869440065794,0.9706068809540127,0.8982763347268864,0.9220495510931396,0.9403549276951545
EOS-2-08425,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1Cl,LDWGFYYVFWQNFC-UHFFFAOYSA-N,2,1,0.757,57,732,445.885,5.267,5,0.356,0.86,1.0,0.9751730518812967,0.9691847714344459,0.9004951682544033,0.9132427523816051,0.9395239359879377
EOS-2-08426,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)nc1,NYAOZOFHLSQATM-UHFFFAOYSA-N,2,1,0.573,57,23,445.885,5.267,5,0.356,0.8,1.0,0.9258532657117401,0.9516654101843602,0.8829843739291344,0.9122918237269549,0.9181987183880473
EOS-2-08427,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cn1,LBHAKTQTNUIXLF-UHFFFAOYSA-N,2,1,0.775,91,883,445.885,5.267,5,0.333,0.83,1.0,0.987312384346515,0.9890257693098485,0.9267013912685902,0.9336920019189912,0.9591828867109862
EOS-2-08428,Fc1cccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1,CWIADOLAJHYAJP-UHFFFAOYSA-N,2,1,0.711,57,461,445.885,5.267,5,0.356,0.87,1.0,0.9888372969638819,0.9942001918991159,0.8934702899047358,0.9188540881365225,0.948840466726064
EOS-2-08429,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)cc1,JKBRTYJNPIMABH-UHFFFAOYSA-N,2,1,0.608,83,23,445.885,5.267,5,0.333,0.81,1.0,0.9690391337125626,0.9822664656294976,0.8765249126173669,0.905506819272154,0.9333343328078952
EOS-2-08430,Fc1ccc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,XIUXNYAPVYPACQ-UHFFFAOYSA-N,2,1,0.628,57,461,445.885,5.267,5,0.356,0.8,1.0,0.9774518538825303,0.9915273113563156,0.8597937084504146,0.8982420670276198,0.93175373517922
EOS-2-08431,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cc5)c(F)cn4)n23)cc1,MGXLNTRMYZXZNZ-UHFFFAOYSA-N,2,1,0.568,57,326,445.885,5.533,5,0.355,0.78,1.0,0.9556404632992941,0.9516739771091769,0.9292800356384072,0.9320471523541909,0.9421604071002673
EOS-2-08432,Cc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cn1,CUQQUWHOERKNCQ-UHFFFAOYSA-N,2,1,0.649,57,11,445.885,5.533,5,0.355,0.87,1.0,0.9411452265094922,0.9426530052772257,0.9316530738126242,0.9291943663902406,0.9361614179973957
EOS-2-08433,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)nc1,OCOWESNQRMESDY-UHFFFAOYSA-N,2,1,0.786,57,660,445.885,5.267,5,0.356,0.81,1.0,0.994894112809266,0.9972243163593997,0.9089164553491879,0.9220581180179562,0.9557732506339524
EOS-2-08434,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)nc3)n12,CCTXWKTYFLTSEF-UHFFFAOYSA-N,2,1,0.679,57,732,445.885,5.267,5,0.356,0.82,1.0,0.9516996778836269,0.9804588444931808,0.9016774038791036,0.9230090466726064,0.9392112432321293
EOS-2-08435,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c2)cc1,QXHZWRPSUSMRDE-UHFFFAOYSA-N,2,1,0.675,57,222,445.885,5.267,5,0.356,0.82,1.0,0.9271297375094236,0.9586303200603111,0.9192567336029059,0.9406997464190254,0.9364291343979165
EOS-2-08436,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c1,NGWABHLSICJRQU-UHFFFAOYSA-N,2,1,0.667,57,732,445.885,5.267,5,0.356,0.81,1.0,0.9476303885957097,0.9452573504214927,0.8946867932287026,0.9143650195325885,0.9254848879446235
EOS-2-08437,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cn1,ZKJVOOAGBQATSL-UHFFFAOYSA-N,2,1,0.722,57,497,445.885,5.267,5,0.333,0.81,1.0,0.9863100541429648,0.990276540333082,0.9156586251799054,0.9292029333150572,0.9553620382427523
EOS-2-08438,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cccc(-c4cccnc4)c3)n12,UGSKVQLOBPODRV-UHFFFAOYSA-N,2,1,0.605,57,883,445.885,5.267,5,0.356,0.75,1.0,0.9219124802960729,0.9309677198272908,0.9089250222740045,0.927172572133507,0.9222444486327187
EOS-2-08439,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)nc1,FSDRBAFXTYIAJB-UHFFFAOYSA-N,2,1,0.74,57,660,445.885,5.267,5,0.356,0.84,1.0,0.9811527654033309,0.979961962853814,0.9016859708039202,0.9188626550613391,0.9454158385306011
EOS-2-08440,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1,ZXFKYDHFDCORLB-UHFFFAOYSA-N,2,1,0.671,91,883,445.885,5.267,5,0.356,0.76,1.0,0.9675484887944623,0.9772890823110136,0.930059625796724,0.939783085463642,0.9536700705914605
EOS-2-08441,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(Cl)c5)c4)n23)cc1,IDYVHCXNADOXPN-UHFFFAOYSA-N,2,1,0.588,1,230,445.885,5.533,5,0.333,0.75,1.0,0.979653553560414,0.9485556164759098,0.9489068603933932,0.9446747995339593,0.9554477074909191
EOS-2-08442,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)cc1,NBJHPEAYCQUZTK-UHFFFAOYSA-N,2,1,0.627,57,23,445.885,5.267,5,0.356,0.76,1.0,0.972405935165513,0.9834487012541978,0.8910458501816189,0.9154701528339387,0.9405926598588171
EOS-2-08443,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c1,HLSSAXHYARRZGR-UHFFFAOYSA-N,2,1,0.618,57,23,445.885,5.267,5,0.356,0.77,1.0,0.9696388184497293,0.9831745596600644,0.8923137550544856,0.9197707490919059,0.9412244705640463
EOS-2-08444,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ccc1Cl,HXHRXEZNDYUIGQ-UHFFFAOYSA-N,2,1,0.688,57,198,445.885,5.267,5,0.356,0.84,1.0,0.9460112398053595,0.9206617092728394,0.8972654375985196,0.9154787197587554,0.9198542766088685
EOS-2-08446,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnc1-c1ccccc1,AVUMHFPMWWTCFC-UHFFFAOYSA-N,2,1,0.697,57,660,445.885,5.267,5,0.356,0.79,1.0,0.9940288534027826,0.9939003495305325,0.8581659927352477,0.8941128092659859,0.9350520012336372
EOS-2-08447,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cn1,VSLRJZYBLYSPFY-UHFFFAOYSA-N,2,1,0.693,57,732,445.885,5.267,5,0.356,0.85,1.0,0.9571482420670276,0.9757127681447467,0.8992957987800699,0.922066684942773,0.9385558734836543
EOS-2-08448,CC(Oc1cncc2nnc(-c3cccc(-c4ccc(Cl)cn4)c3)n12)c1ccc(F)cc1,HMRXECDYCAGYGB-UHFFFAOYSA-N,2,1,0.545,57,709,445.885,5.786,5,0.343,0.77,1.0,0.8182184223151258,0.9070317318895209,0.9623140977314784,0.960052429579878,0.9119041703790008
EOS-2-08449,Cc1cnc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,NBYWFXQIGBVPGC-UHFFFAOYSA-N,2,1,0.64,57,798,445.885,5.533,5,0.355,0.83,1.0,0.9861044479473648,0.9782657117401138,0.9027911041052704,0.9165324515112055,0.9459234288259886
EOS-2-08450,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)c1,PAOHLSIPZGKVIL-UHFFFAOYSA-N,2,1,0.654,91,883,445.885,5.267,5,0.356,0.72,1.0,0.8876961825783017,0.9206702761976561,0.9156671921047221,0.9292115002398739,0.9133112877801385
EOS-2-08451,Fc1ccccc1-c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,XLNJTUSYJYASGN-UHFFFAOYSA-N,2,1,0.72,57,461,445.885,5.267,5,0.356,0.84,1.0,0.9924611061613323,0.9936262079363991,0.8910544171064355,0.9165410184360222,0.9484206874100473
EOS-2-08452,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccc(Cl)c5)nc4)n23)cc1,TUEZPSAZCSTDJO-UHFFFAOYSA-N,2,1,0.711,57,461,445.885,5.267,5,0.356,0.82,1.0,0.987800699061065,0.9899766979644986,0.8934788568295524,0.9176461517373724,0.9472256013981222
EOS-2-08453,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1,IQSZDGOUCJFWRJ-UHFFFAOYSA-N,2,1,0.757,57,461,445.885,5.267,5,0.356,0.83,1.0,0.9922983345898156,0.9955451990953328,0.9005037351792201,0.9220752518675897,0.9526056301829895
EOS-2-08454,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,BRCJEHPKYFSJAG-UHFFFAOYSA-N,2,1,0.571,57,732,445.885,5.267,5,0.356,0.81,1.0,0.9517082448084435,0.9663148516208622,0.8876704818038517,0.9123003906517716,0.9294984922212322
EOS-2-08455,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cncc(F)c5)cc4)n23)ccc1Cl,BHWKGMGCDQJPBH-UHFFFAOYSA-N,2,1,0.575,1,326,445.885,5.533,5,0.355,0.8,1.0,0.9599324926324446,0.9528647796586938,0.9506887807552601,0.9518453156055102,0.9538328421629771
EOS-2-08456,Cc1ccc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)cc1-c1cccnc1,MDUUWGNZHZTMRP-UHFFFAOYSA-N,2,1,0.529,1,962,445.885,5.533,5,0.355,0.78,1.0,0.9411537934343088,0.916986498526489,0.9482814748817764,0.9470735384826263,0.9383738263313002
EOS-2-08457,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)nc1,HXHVLKNMKWNDPT-UHFFFAOYSA-N,2,1,0.711,57,660,445.885,5.267,5,0.356,0.84,1.0,0.9531389212528271,0.9621427592351449,0.9016945377287369,0.9165495853608389,0.933381450894387
EOS-2-08458,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,NEVSHHHNPNWSPA-UHFFFAOYSA-N,2,1,0.517,57,198,445.885,5.267,5,0.356,0.83,1.0,0.8743489137139332,0.8798060448221506,0.8865053800287849,0.915487286683572,0.8890369063121102
EOS-2-08459,Fc1cc(CCOc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)ccc1Cl,XZWOKSDZKYMJLX-UHFFFAOYSA-N,2,1,0.737,91,660,445.885,5.267,5,0.356,0.71,0.999,0.9592642724967446,0.9371873072441916,0.8671612637927489,0.8912857240764855,0.9137246419025427
EOS-2-08460,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)ccc1F,DJCDHSVLDCDHPD-UHFFFAOYSA-N,2,1,0.636,57,798,445.885,5.533,5,0.355,0.85,1.0,0.9781286409430471,0.972971352203413,0.9387807552600919,0.9380954012747584,0.9569940374203276
EOS-2-08461,Cc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)ncc1F,CEGKVZFKXLHDCO-UHFFFAOYSA-N,2,1,0.588,57,80,445.885,5.533,5,0.355,0.75,1.0,0.7969039133712562,0.8716417654718662,0.9213127955589062,0.9271811390583237,0.8792599033650881
EOS-2-08462,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nc1,AZBUCEOXWBKVQC-UHFFFAOYSA-N,2,1,0.696,57,732,445.885,5.267,5,0.356,0.8,1.0,0.9485556164759098,0.9426615722020424,0.8946953601535192,0.9154958536083887,0.9253521006099651
EOS-2-08463,Fc1cccc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,HFBKVSUEKFWRLL-UHFFFAOYSA-N,2,1,0.598,57,461,445.885,5.267,5,0.356,0.8,1.0,0.9680710712082791,0.9899852648893154,0.8507299019943801,0.8927506682201357,0.9253842265780275
EOS-2-08464,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)cc1Cl,BWPSWHDGMQJOGW-UHFFFAOYSA-N,2,1,0.795,91,732,445.885,5.267,5,0.356,0.83,1.0,0.9823178671783976,0.9507230484545267,0.9048985676101706,0.9165581522856555,0.9386244088821876
EOS-2-08465,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccnc(-c4ccccc4)c3)n12,YSFCCNFUBYZKCU-UHFFFAOYSA-N,2,1,0.642,79,732,445.885,5.267,5,0.356,0.78,1.0,0.9586474539099444,0.9496521828524432,0.8958433280789527,0.9123089575765883,0.9291129806044821
EOS-2-08466,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cc1,AZNZOFQXHMHVNY-UHFFFAOYSA-N,2,1,0.722,57,497,445.885,5.267,5,0.333,0.81,1.0,0.9865756288122816,0.989993831814132,0.9145534918785553,0.9292200671646905,0.9550857549174149
EOS-2-08467,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,QZRMXFLEVNXFQI-UHFFFAOYSA-N,2,1,0.726,57,660,445.885,5.267,5,0.356,0.74,1.0,0.9411623603591255,0.9691933383592626,0.8765334795421835,0.9087879514769378,0.9239192824343774
EOS-2-08468,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cccnc1,YRAHSIDTSGSTQP-UHFFFAOYSA-N,2,1,0.764,57,222,445.885,5.267,5,0.356,0.82,1.0,0.9916386813789322,0.9946114042903159,0.9284661777808237,0.9397916523884586,0.9636269789596326
EOS-2-08469,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,RPDULZLZXJXHFO-UHFFFAOYSA-N,2,1,0.588,57,650,445.885,5.267,5,0.356,0.68,1.0,0.9321242546775409,0.9621513261599616,0.8627664313617983,0.8982506339524364,0.9138231615379343
EOS-2-08470,Fc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cccnc1,LBVUZMCEDMAPGV-UHFFFAOYSA-N,2,1,0.757,91,222,445.885,5.267,5,0.356,0.82,1.0,0.9625111370022617,0.9698358577205126,0.9213213624837229,0.9372387087930917,0.9477267664998972
EOS-2-08471,Fc1ncccc1-c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,PYFBPTKTRNOFLH-UHFFFAOYSA-N,2,1,0.764,57,883,445.885,5.267,5,0.333,0.84,1.0,0.9949026797340826,0.9963847577273662,0.9201733945582894,0.9280035638407237,0.9598660989651155
EOS-2-08472,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(Cl)cc5)n4)n23)cc1,YDUBCVPZJSFNLY-UHFFFAOYSA-N,2,1,0.568,57,461,445.885,5.533,5,0.355,0.83,1.0,0.9433126584881091,0.9549037077650606,0.894703927078336,0.9043245836474539,0.9243112192447399
EOS-2-08473,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)cc1Cl,XVDGIAPIVNWZGF-UHFFFAOYSA-N,2,1,0.74,91,485,445.885,5.267,5,0.356,0.85,1.0,0.963145089438695,0.9357223631005415,0.9080768967171544,0.9165667192104722,0.9308777671167157
EOS-2-08474,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)cc1,ZBOHHXXZYPHRIM-UHFFFAOYSA-N,2,1,0.595,57,951,445.885,5.533,5,0.355,0.86,1.0,0.9648070728531286,0.9342402851072579,0.9387893221849085,0.9328610102117744,0.9426744225892674
EOS-2-08475,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cc1,AIVJMNGGAAWDAC-UHFFFAOYSA-N,2,1,0.658,57,23,445.885,5.267,5,0.333,0.8,1.0,0.9531474881776437,0.9684822835994791,0.9089335891988212,0.9261188403810569,0.9391705503392502
EOS-2-08476,N=c1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c[nH]1,IZKIYDGRHUZXBS-UHFFFAOYSA-N,2,1,0.414,18,840,445.874,2.726,5,0.41,0.62,1.0,0.6243660475635666,0.48758652594064833,0.3972483037488863,0.38629120690836816,0.4738730210403673
EOS-2-08477,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc(C)n2)cn1,GNGHLMMVLICONK-UHFFFAOYSA-N,2,1,0.409,51,113,445.874,3.283,5,0.401,0.7,1.0,0.5540658625179905,0.46999862929202935,0.25325543143033374,0.23204372558426428,0.37734091220615446
EOS-2-08478,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)cn1,NDVIGLUSEPGNEE-UHFFFAOYSA-N,2,1,0.402,18,296,445.874,3.017,5,0.388,0.67,0.923,0.6161075320402988,0.5519326982386402,0.23521348776643136,0.24946028373654994,0.4131785004454801
EOS-2-08479,Cc1ccncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)nn1,BNUULHQVKSVMRV-UHFFFAOYSA-N,2,1,0.424,65,466,445.874,3.017,5,0.363,0.56,0.893,0.67523644712494,0.6095709684051813,0.21047220889589474,0.22302275375231306,0.4295755945445823
EOS-2-08480,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)c(C)n1,MWFFXBVYWGMBES-UHFFFAOYSA-N,2,1,0.388,92,182,445.874,3.283,5,0.401,0.67,1.0,0.5286306627373039,0.46128606675347816,0.2897076965252553,0.27943595367007057,0.38976509492152694
EOS-2-08481,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nn1,BIRSWOBVIWXGGD-UHFFFAOYSA-N,2,1,0.429,18,367,445.874,3.017,5,0.388,0.68,1.0,0.5437512850387225,0.5379343430882051,0.18954321156877527,0.22593550818998012,0.3742910869714207
EOS-2-08482,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)cn1,XLKCYTUTUVQLFG-UHFFFAOYSA-N,2,1,0.406,18,296,445.874,3.017,5,0.363,0.59,1.0,0.6103848262627647,0.5565417037900076,0.24584504146391611,0.2494688506613666,0.4155601055445137
EOS-2-08483,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cn1,FHFLFZOGOJECDV-UHFFFAOYSA-N,2,1,0.458,65,282,445.874,3.017,5,0.388,0.63,1.0,0.6872644095675416,0.8072356247001576,0.19636248372284285,0.19692790076074293,0.47194760468782126
EOS-2-08484,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)cn1,IWYWHVHNLWJZAZ-UHFFFAOYSA-N,2,1,0.396,31,194,445.874,3.017,5,0.363,0.69,0.929,0.5410869714207388,0.5332396682886711,0.19991775752176,0.20282194503461037,0.3692665855664451
EOS-2-08485,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)cn1,QIGZCGMCMKIARM-UHFFFAOYSA-N,2,1,0.432,18,113,445.874,3.017,5,0.363,0.64,0.999,0.6388184497292851,0.5806747309985607,0.27512679048728667,0.25855835789185116,0.43829458227674595
EOS-2-08486,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ncn2)cn1,CTSDQJDHMCZIIS-UHFFFAOYSA-N,2,1,0.404,31,602,445.874,3.017,5,0.388,0.63,0.978,0.5490113768761565,0.5613820163114248,0.18955177849359195,0.1997549859502433,0.37492503940785415
EOS-2-08487,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)c(C)n1,JOYQJDXTBKHLIY-UHFFFAOYSA-N,2,1,0.435,92,567,445.874,3.283,5,0.401,0.67,1.0,0.5437598519635392,0.609579535329998,0.19637105064765953,0.17234939346172298,0.3805149578507299
EOS-2-08488,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)n1,CZTMPGMJPBKUMR-UHFFFAOYSA-N,2,1,0.461,75,359,445.874,3.017,5,0.388,0.67,1.0,0.647565279967103,0.6281526283325337,0.130131587965184,0.14356452607771913,0.38735350558563497
EOS-2-08489,Cc1ncncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccn1,VPSXRPOYOKYUCQ-UHFFFAOYSA-N,2,1,0.456,20,279,445.874,3.017,5,0.388,0.68,0.999,0.629900280995134,0.6378246864505517,0.20347303132067712,0.21185148379137825,0.4207623706394353
EOS-2-08490,Cc1cccc(-c2nc(C)ncc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)n1,MJYUYUCBZFWKAV-UHFFFAOYSA-N,2,1,0.44,51,196,445.874,3.283,5,0.401,0.65,0.996,0.5732557741073264,0.5473065588376397,0.107566307998081,0.10738640257693098,0.3338787608799945
EOS-2-08491,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cn2)cn1,YKMALLUZFNZYAC-UHFFFAOYSA-N,2,1,0.474,65,981,445.874,3.017,5,0.363,0.64,1.0,0.6388270166541018,0.7866493043657049,0.13293297238023438,0.1462117058460695,0.42615524981152764
EOS-2-08492,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc(C)n2)n1,IQUUWCHATWUOGR-UHFFFAOYSA-N,2,1,0.375,46,330,445.874,3.283,5,0.375,0.66,1.0,0.5514615173737235,0.47433349324926327,0.16385957096840517,0.16172640668905489,0.3378452470701117
EOS-2-08493,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,YMFPHLRAMDBPMS-UHFFFAOYSA-N,2,1,0.408,18,720,445.874,3.017,5,0.388,0.67,0.961,0.4976355287505997,0.515060653827702,0.16386813789322185,0.17495373860599,0.33787951476937844
EOS-2-08494,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ccn2)cn1,JJXLXUGZCGYDFV-UHFFFAOYSA-N,2,1,0.468,65,454,445.874,3.017,5,0.388,0.61,0.999,0.6752450140497567,0.6817387430607909,0.16685799465423892,0.17769515454732368,0.4253842265780276
EOS-2-08495,Cc1cnnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n1,PLRWWANIASMXTK-UHFFFAOYSA-N,2,1,0.512,20,658,445.874,3.017,5,0.388,0.62,1.0,0.6243746144883833,0.7248646425878966,0.1895603454184086,0.2259440751147968,0.4411859194023713
EOS-2-08496,Cc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)n1,BXGMNEFYGQUKBE-UHFFFAOYSA-N,2,1,0.429,65,822,445.874,3.017,5,0.388,0.61,1.0,0.6535449934891372,0.6574001096566376,0.15415324515112055,0.1695822767459393,0.4086701562607087
EOS-2-08497,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)nc1,DLPYURMGZHAAGR-UHFFFAOYSA-N,2,1,0.468,65,131,445.874,3.017,5,0.388,0.59,1.0,0.6356572544719348,0.6670893016242889,0.12440888218764992,0.14850764169693648,0.3939157699952025
EOS-2-08498,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ncn2)cn1,RTNIQLTYUFKRQH-UHFFFAOYSA-N,2,1,0.429,31,113,445.874,3.017,5,0.388,0.66,0.897,0.5846326502638612,0.5657854156671921,0.22423069015146324,0.22595264203961346,0.40015034953053247
EOS-2-08499,Cc1nncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)n1,QNPTZUCNDVGNEF-UHFFFAOYSA-N,2,1,0.505,75,530,445.874,3.017,5,0.388,0.65,1.0,0.7479953395928998,0.7064714550065109,0.242392570762799,0.27045781646220274,0.4918292954561031
EOS-2-08500,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cn1,BPAVXHACUSSLQA-UHFFFAOYSA-N,2,1,0.398,18,720,445.874,3.017,5,0.388,0.7,0.996,0.5232506339524364,0.5473151257624563,0.16686656157905558,0.17770372147214036,0.3537840106915222
EOS-2-08501,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)cn2)cn1,HCFDGOMFFBOLKK-UHFFFAOYSA-N,2,1,0.495,65,658,445.874,3.017,5,0.388,0.62,1.0,0.6444469193338359,0.8072441916249743,0.17671852511822356,0.17771228839695702,0.4515304811184977
EOS-2-08502,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)n1,CCSXBZYDFVUVBQ-UHFFFAOYSA-N,2,1,0.439,87,858,445.874,3.017,5,0.388,0.62,0.999,0.5678243437735591,0.6192001918991159,0.1929442807209924,0.21484134055239532,0.39870253923651566
EOS-2-08503,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)cn2)cn1,UEHNGQNRRHQCMG-UHFFFAOYSA-N,2,1,0.484,65,324,445.874,3.017,5,0.388,0.58,1.0,0.6475738468919197,0.7824001096566376,0.13294153930505107,0.1511633883901035,0.42851972106092795
EOS-2-08504,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)n1,BMFRGRSAUFIPDW-UHFFFAOYSA-N,2,1,0.45,58,954,445.874,3.017,5,0.363,0.67,1.0,0.6812932629703242,0.8186724693304092,0.1480964293057364,0.15902782537180454,0.4517724967445686
EOS-2-08505,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)n1,FAVUOGQGIRUWIX-UHFFFAOYSA-N,2,1,0.469,87,579,445.874,3.017,5,0.388,0.6,1.0,0.6272788020012336,0.7607086560208347,0.15733157425810432,0.17496230553080666,0.43007033445274484
EOS-2-08506,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)c(C)n1,DTTNSJAGDAPVJV-UHFFFAOYSA-N,2,1,0.432,7,238,445.874,3.283,5,0.401,0.65,0.997,0.44920670276197655,0.4743420601740799,0.21718011102734563,0.19976355287505998,0.33512310670961554
EOS-2-08507,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,KDPXBPUDNQKPMY-UHFFFAOYSA-N,2,1,0.468,87,131,445.874,3.017,5,0.388,0.68,1.0,0.5903810568158454,0.6527654033308203,0.1541618120759372,0.17235796038653964,0.39241655815228565
EOS-2-08508,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cn1,QIADHGCICRKPDE-UHFFFAOYSA-N,2,1,0.495,87,579,445.874,3.017,5,0.388,0.65,1.0,0.6161160989651154,0.7780481118497704,0.1638767048180385,0.17497087245562332,0.43325294702213696
EOS-2-08509,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)n1,ZUVYLZMNOAZMRA-UHFFFAOYSA-N,2,1,0.505,65,578,445.874,3.017,5,0.363,0.65,1.0,0.8079638133095743,0.8630320060311151,0.22089815639777946,0.21738571722294564,0.5273199232403536
EOS-2-08510,CCc1nc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1ncc(Cl)cn1,HYXJPYLATDHMAY-UHFFFAOYSA-N,2,1,0.411,46,717,445.874,3.228,5,0.388,0.6,0.999,0.5335223768076212,0.5379429100130217,0.0880337194160784,0.10967377150298128,0.3172931944349256
EOS-2-08511,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)n1,ASDCPPIHNOIGBR-UHFFFAOYSA-N,2,1,0.429,65,822,445.874,3.017,5,0.388,0.53,1.0,0.6272873689260503,0.6476595161400863,0.19637961757247618,0.21739428414776232,0.4221801966965938
EOS-2-08512,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)c(C)n1,PGBKGDRYNLDGIU-UHFFFAOYSA-N,2,1,0.467,7,567,445.874,3.283,5,0.401,0.64,1.0,0.5052943595367007,0.5287505996847371,0.2034815982454938,0.1777208553217737,0.35381185319717634
EOS-2-08513,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)cn1,HOTJFHQDMLITGB-UHFFFAOYSA-N,2,1,0.4,31,296,445.874,3.017,5,0.363,0.65,0.962,0.5286392296621205,0.4972585840586663,0.16687512850387226,0.18340072647522446,0.3440434171749709
EOS-2-08514,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nn1,GNMGWWCMYOEWJH-UHFFFAOYSA-N,2,1,0.462,87,838,445.874,3.017,5,0.363,0.63,1.0,0.5706428620382428,0.6574086765814543,0.15734014118292097,0.1888150229593585,0.39355167569049415
EOS-2-08515,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)n1,PHKSPYSOWCPFCE-UHFFFAOYSA-N,2,1,0.463,75,819,445.874,3.017,5,0.388,0.68,1.0,0.6018350352957302,0.6192087588239326,0.16062127338770474,0.18069357823315743,0.39058966143513124
EOS-2-08516,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)n1,CWTOXIFGJRNHCC-UHFFFAOYSA-N,2,1,0.458,65,279,445.874,3.017,5,0.388,0.64,1.0,0.6783205400589405,0.7866578712905216,0.16062984031252142,0.17772942224659036,0.45083441847714345
EOS-2-08517,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cn1,QLPUAACBJNWYON-UHFFFAOYSA-N,2,1,0.474,87,282,445.874,3.017,5,0.388,0.67,1.0,0.6356658213967514,0.7990199438009732,0.19295284764580906,0.1942464532931259,0.4554712665341649
EOS-2-08518,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)c[nH]1,CIGPBLUCGOFIPZ-UHFFFAOYSA-N,2,1,0.45,58,954,445.874,2.726,5,0.384,0.73,0.954,0.659764580906038,0.6670978685491056,0.2861181550270715,0.2794445205948873,0.47310628126927556
EOS-2-08519,Cc1ncncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ncn1,DIUZRVSFDTWKBX-UHFFFAOYSA-N,2,1,0.421,18,194,445.874,3.017,5,0.363,0.63,0.997,0.6299088479199506,0.5753632376122267,0.28255431430333766,0.27945308751970394,0.4418198718388047
EOS-2-08520,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)nn1,XTIXKHBSMICLST-UHFFFAOYSA-N,2,1,0.469,20,279,445.874,3.017,5,0.388,0.65,0.999,0.6161246658899322,0.7695240216571859,0.1541703790007539,0.17497943938044,0.428699626482078
EOS-2-08521,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)cn1,ULBRXTYWAGWKNY-UHFFFAOYSA-N,2,1,0.427,18,113,445.874,3.017,5,0.363,0.64,1.0,0.6327530669590844,0.5953413062846961,0.28612672195188815,0.2704663833870194,0.44617186964567196
EOS-2-08522,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2)cn1,YXDAWCCCWHYPOE-UHFFFAOYSA-N,2,1,0.412,53,954,445.874,3.017,5,0.363,0.68,0.998,0.5814971557809608,0.6234922212322664,0.170053457610856,0.18882358988417516,0.39096660612706463
EOS-2-08523,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)n1,GLWNDYDABYDPKJ-UHFFFAOYSA-N,2,1,0.453,20,530,445.874,3.017,5,0.388,0.63,1.0,0.6243831814131999,0.6378332533753683,0.16688369542868892,0.1834092934000411,0.4031273559043246
EOS-2-08524,Cc1ncc(CCOc2cncc3nnc(-c4ccnc(-c5cnc(Cl)nc5)c4)n23)cn1,VUPURJCUCHKRIN-UHFFFAOYSA-N,2,1,0.512,65,454,445.874,3.017,5,0.363,0.7,1.0,0.8079723802343911,0.7780566787745871,0.2565022959358509,0.22596120896443012,0.5171231409773148
EOS-2-08525,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,IWJFEKHFYSQYBS-UHFFFAOYSA-N,2,1,0.421,65,466,445.874,3.017,5,0.363,0.57,0.994,0.5815057227057775,0.5657939825920087,0.2603231444040847,0.267767802069769,0.41884766294291
EOS-2-08526,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cn1,AEJRMVZGKWARTG-UHFFFAOYSA-N,2,1,0.484,65,279,445.874,3.017,5,0.388,0.63,1.0,0.6444554862586526,0.7990285107257898,0.1668922623535056,0.17773798917140704,0.44702856212733877
EOS-2-08527,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n1,CJERZJIEIJVVAA-UHFFFAOYSA-N,2,1,0.495,65,981,445.874,3.017,5,0.363,0.62,1.0,0.7912069083681722,0.8537882941539305,0.2104807758207114,0.2057946679459941,0.5153176615722022
EOS-2-08528,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)cn1,QPQMPATZSBOZEL-UHFFFAOYSA-N,2,1,0.418,31,296,445.874,3.017,5,0.388,0.62,0.814,0.5648687547118086,0.5196439586046193,0.19296141457062574,0.21740285107257898,0.37371924473990814
EOS-2-08529,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)cn1,JWXUDBVWEGGURA-UHFFFAOYSA-N,2,1,0.478,75,530,445.874,3.017,5,0.388,0.65,1.0,0.6018436022205469,0.647668083064903,0.17352306216160646,0.1834178603248578,0.4016131519429785
EOS-2-08530,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cncnc1,QQWJJOZYFPOVPQ-UHFFFAOYSA-N,2,1,0.472,16,83,445.87,3.884,5,0.363,0.62,1.0,0.8476715098348296,0.7342882598862313,0.7387601946405319,0.64993831814132,0.7426645706257282
EOS-2-08531,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)nn4)n23)cc1,LFBVIXRZOOSFBQ-UHFFFAOYSA-N,2,1,0.522,1,268,445.87,3.368,5,0.396,0.76,1.0,0.7538037146186005,0.6671064354739222,0.5551795627441574,0.5557364128572407,0.6329565314234802
EOS-2-08532,COc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ccccn1,SOPFNDQXJFIUEG-UHFFFAOYSA-N,2,1,0.473,49,769,445.87,3.884,5,0.363,0.66,1.0,0.5437684188883558,0.5242786649304366,0.36357172229456514,0.32842162977177713,0.4400101089712837
EOS-2-08533,COc1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)c1,MTOLZEFXZLNEKL-UHFFFAOYSA-N,2,1,0.451,55,879,445.87,3.884,5,0.388,0.71,1.0,0.8208998697827428,0.7294222465903639,0.662471729148105,0.5905352614625454,0.7008322767459393
EOS-2-08534,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)nc1,PYCLYUFZVUETLK-UHFFFAOYSA-N,2,1,0.575,4,22,445.87,3.884,5,0.388,0.71,1.0,0.8261513946953601,0.7695325885820026,0.555188129668974,0.48042457679391404,0.6578241724350627
EOS-2-08535,O=c1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)n[nH]1,FOSUXVQKSAYHFV-UHFFFAOYSA-N,2,1,0.523,11,201,445.87,3.212,5,0.399,0.72,1.0,0.6931327530669591,0.637841820300185,0.5414724830374888,0.5557449797820574,0.6070480090466726
EOS-2-08536,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cnccn1,QNYGVYBZUNWSDQ-UHFFFAOYSA-N,2,1,0.495,97,248,445.87,3.884,5,0.363,0.69,1.0,0.7054434240285107,0.6330443424028511,0.5906380645603454,0.5089952710575012,0.609530275512302
EOS-2-08537,COc1cc(Cl)c(-c2nnc3cncc(OCc4ccccn4)n23)cc1-c1cccnn1,FRTBZBOJZIVBEN-UHFFFAOYSA-N,2,1,0.588,4,820,445.87,3.884,5,0.388,0.69,0.998,0.5286477965869372,0.6281611952573504,0.5682783907888425,0.5090038379823179,0.558522805153862
EOS-2-08538,Cc1c(-c2cncc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])n23)c(-c2ccccc2)nn1C,NBUSIXFIGKAIIK-UHFFFAOYSA-N,2,1,0.4,96,697,445.87,4.729,5,0.292,0.75,1.0,0.09140052086902885,0.1779350284421904,0.2825628812281543,0.25573983962716745,0.20190956754163525
EOS-2-08539,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cn1,VIMOAPYFBXCPIX-UHFFFAOYSA-N,2,1,0.462,97,879,445.87,3.884,5,0.363,0.72,1.0,0.744971215132616,0.6423908573778356,0.5448821191145227,0.4494637105064766,0.5954269755328627
EOS-2-08540,COc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,QEHSHJHULXQJPD-UHFFFAOYSA-N,2,1,0.455,2,419,445.87,3.884,5,0.363,0.73,1.0,0.6660527037214722,0.6623003906517716,0.6814217668425742,0.587451168528545,0.6493065074360908
EOS-2-08541,COc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,QQGSUAGYOXSWBF-UHFFFAOYSA-N,2,1,0.542,97,401,445.87,3.884,5,0.388,0.7,1.0,0.7238794462339798,0.8999554519909533,0.5649544239599753,0.49874066205194983,0.6718824960592146
EOS-2-08542,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)n5)cn4)n23)cc1,IYCZMGXSPYSTSF-UHFFFAOYSA-N,2,1,0.522,89,731,445.87,3.368,5,0.396,0.74,1.0,0.7176512918922624,0.6817473099856076,0.5779504489068604,0.5621701733945583,0.6348798060448222
EOS-2-08543,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)c5)cn4)n23)cc1,NBPFKFRMNXNYNU-UHFFFAOYSA-N,2,1,0.505,16,401,445.87,3.368,5,0.423,0.75,1.0,0.7358303063532314,0.7157922692070454,0.6537505996847371,0.6323418545678843,0.6844287574532245
EOS-2-08544,Oc1cc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1-c1ccncc1,RNUVFIPIBLKPAH-UHFFFAOYSA-N,2,1,0.543,35,619,445.87,3.624,5,0.394,0.67,1.0,0.8385134672058118,0.822724624768693,0.564962990884792,0.5490199438009732,0.6938052566650675
EOS-2-08545,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)nc1,YCCXMNPFJUZPQB-UHFFFAOYSA-N,2,1,0.494,55,283,445.87,3.368,5,0.423,0.71,1.0,0.7827856212733877,0.7111232951819615,0.6511548214652868,0.6150023987389487,0.6900165341648962
EOS-2-08546,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)n[nH]1,STFQQTYIGONODM-UHFFFAOYSA-N,2,1,0.5,1,848,445.87,3.212,5,0.399,0.67,1.0,0.8079809471592078,0.7111318621067781,0.4656637653347954,0.492572476183949,0.6193372626961826
EOS-2-08547,O=c1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)[nH]1,IXUMOSICIVCCKK-UHFFFAOYSA-N,2,1,0.511,11,275,445.87,3.212,5,0.427,0.6,0.783,0.5759200877253101,0.6095881022548146,0.4656723322596121,0.4895483517236653,0.5351822184908506
EOS-2-08548,OCc1ccnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)n1,DNYNYPUFBKYPCF-UHFFFAOYSA-N,2,1,0.473,97,921,445.87,3.368,5,0.396,0.67,1.0,0.6215732300733329,0.5953498732095127,0.5717222945651429,0.5390480433143718,0.5819233602905901
EOS-2-08549,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)c5)cn4)n23)cc1,YETRTDMTLUOIQR-UHFFFAOYSA-N,2,1,0.535,51,969,445.87,3.368,5,0.423,0.8,1.0,0.8452213693372627,0.7523644712494003,0.6454920841614694,0.6323504214927009,0.7188570865602083
EOS-2-08550,COc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)n1,KQXWEHOPSBNJTM-UHFFFAOYSA-N,2,1,0.44,24,786,445.87,3.884,5,0.363,0.73,1.0,0.7566479336577342,0.7294308135151806,0.5551966965937907,0.465184017545062,0.6266148653279419
EOS-2-08551,COc1ncc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc(CO)n2)cn1,BCVXQVIZBYIZSH-UHFFFAOYSA-N,2,1,0.375,96,478,445.87,3.465,5,0.437,0.73,1.0,0.4562230141868275,0.6423994243026523,0.5581608525803577,0.5191899115893359,0.5439933006647933
EOS-2-08552,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1ccccn1,ZTFSXTKPVRFHST-UHFFFAOYSA-N,2,1,0.446,49,501,445.87,3.884,5,0.363,0.69,1.0,0.7054519909533274,0.5332482352134877,0.4480501679117264,0.389855047632102,0.5191513604276609
EOS-2-08553,COc1ccccc1-c1ncc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1,BPZYQJBZTDCEDI-UHFFFAOYSA-N,2,1,0.5,97,879,445.87,3.884,5,0.363,0.74,1.0,0.852357617709547,0.7990370776506065,0.5181533136865191,0.452753409636077,0.6555753546706874
EOS-2-08554,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ccncn1,IYICKTMGDXYFIW-UHFFFAOYSA-N,2,1,0.467,97,383,445.87,3.884,5,0.363,0.64,1.0,0.8877047495031184,0.7248732095127133,0.694888972654376,0.5964978411349462,0.7259911932012884
EOS-2-08555,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cc1,NLJNMXRRGHOQOS-UHFFFAOYSA-N,2,1,0.5,97,19,445.87,3.368,5,0.423,0.77,1.0,0.7685131245288191,0.6768898636145569,0.5614848194092249,0.5522925090809403,0.6397950791583853
EOS-2-08556,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3OC)n12,HRANXJXVYOQANN-UHFFFAOYSA-N,2,1,0.36,96,697,445.87,3.981,5,0.4,0.68,1.0,0.43488280446850797,0.4302480981426907,0.697596120896443,0.6150109656637653,0.5444344972928518
EOS-2-08557,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccccn1,KDUQBBWNVKGFON-UHFFFAOYSA-N,2,1,0.511,49,501,445.87,3.884,5,0.388,0.66,0.997,0.5759286546501268,0.542423411692139,0.39343602220546914,0.35737783565211434,0.4672914810499623
EOS-2-08558,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cn1,XWILPDOIVIEIFY-UHFFFAOYSA-N,2,1,0.495,4,31,445.87,3.368,5,0.396,0.7,1.0,0.5463470632581728,0.5703344527448427,0.5347988486053047,0.5191984785141526,0.5426697107806182
EOS-2-08559,Clc1ccc(-c2nnc3cncc(OCc4cccnn4)n23)cc1OCc1ccccn1,VXOXJOAJRCHRMV-UHFFFAOYSA-N,2,1,0.642,4,534,445.87,3.788,5,0.373,0.71,1.0,0.6356743883215681,0.8439534644643959,0.5779590158316771,0.5429031594818724,0.6501225070248784
EOS-2-08560,Clc1cncc(CCOc2cncc3nnc(-c4ccc(Oc5cncnc5)cc4)n23)c1,VEPQBYMMOVZDCA-UHFFFAOYSA-N,2,1,0.556,35,619,445.87,4.044,5,0.37,0.78,1.0,0.940348502501542,0.9261531080803235,0.6455006510862861,0.6235264889315332,0.7838821876499211
EOS-2-08561,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cn1,PWPMPXSWZBNASX-UHFFFAOYSA-N,2,1,0.473,46,160,445.87,3.368,5,0.423,0.68,1.0,0.4285261462545405,0.5016791172640669,0.6004900280995134,0.5905438283873621,0.5303097800013707
EOS-2-08562,COc1cc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccn1,XMRHUOABHCTAAV-UHFFFAOYSA-N,2,1,0.529,97,32,445.87,3.884,5,0.388,0.7,1.0,0.8261599616201768,0.890343362346652,0.4831231581111644,0.44947227743129325,0.6622746898773216
EOS-2-08563,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccncn1,BVPMGDWFHMIIGU-UHFFFAOYSA-N,2,1,0.533,11,275,445.87,3.624,5,0.421,0.52,1.0,0.893101912137619,0.814911589335892,0.5448906860393393,0.5329398259200877,0.6964610033582345
EOS-2-08564,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5cnccn5)cc4)n23)cn1,PLDLLUHGEOHJBR-UHFFFAOYSA-N,2,1,0.585,35,669,445.87,4.044,5,0.346,0.73,1.0,0.9285432801041738,0.9130285792611884,0.6004985950243301,0.5458930162428894,0.7469908676581454
EOS-2-08565,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cncnc1,LPSJONZWEMDYNO-UHFFFAOYSA-N,2,1,0.489,4,83,445.87,3.884,5,0.363,0.67,1.0,0.6872729764923583,0.652773970255637,0.656903228017271,0.5781217874031938,0.643767990542115
EOS-2-08566,COc1ncccc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,FPOACULZZSCSAN-UHFFFAOYSA-N,2,1,0.529,97,335,445.87,3.884,5,0.388,0.78,1.0,0.7712973750942361,0.89996401891577,0.4110924542526215,0.38318998012473443,0.6163859570968405
EOS-2-08567,Oc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccnnc1,MLPLIXQGUZVZFT-UHFFFAOYSA-N,2,1,0.523,35,202,445.87,3.624,5,0.421,0.51,1.0,0.8310174079912275,0.7909756013981222,0.6537591666095538,0.6499468850661366,0.73142476526626
EOS-2-08568,COc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,AXADBMKJVLOWOK-UHFFFAOYSA-N,2,1,0.446,72,375,445.87,3.884,5,0.388,0.71,1.0,0.7113717360016448,0.5806832979233775,0.6424079912274689,0.5814114865327942,0.6289686279213214
EOS-2-08569,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)cc1,GQZAONFBPJTPQQ-UHFFFAOYSA-N,2,1,0.522,97,731,445.87,3.368,5,0.396,0.77,1.0,0.6690511274073059,0.7017168117332603,0.6482420670276198,0.6235350558563498,0.6606362655061339
EOS-2-08570,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,VPNNTRCJSGPFFY-UHFFFAOYSA-N,2,1,0.421,46,160,445.87,3.368,5,0.423,0.74,1.0,0.5232592008772531,0.4788739634020972,0.6424165581522857,0.6207765060653828,0.5663315571242546
EOS-2-08571,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)cc1=O,AKYOYQRFVLAOQQ-UHFFFAOYSA-N,2,1,0.524,16,470,445.87,3.179,5,0.409,0.7,1.0,0.6299174148447674,0.5242872318552533,0.5779675827564937,0.5814200534576108,0.5783980707285313
EOS-2-08572,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncc(Cl)n5)n4)n23)cc1,RZVOMZGMELIKTK-UHFFFAOYSA-N,2,1,0.495,89,268,445.87,3.368,5,0.423,0.77,1.0,0.6783291069837571,0.6378503872250018,0.5682869577136591,0.542911726406689,0.6068445445822768
EOS-2-08573,OCc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,YWKHQGDULVDENQ-UHFFFAOYSA-N,2,1,0.517,2,419,445.87,3.368,5,0.396,0.73,1.0,0.5463556301829895,0.5565502707148242,0.7002090329655267,0.652542663285587,0.6139143992872318
EOS-2-08574,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,OTNLDDQUZURARA-UHFFFAOYSA-N,2,1,0.394,46,160,445.87,3.368,5,0.396,0.72,1.0,0.5053029264615174,0.5150692207525187,0.6537677335343705,0.6207850729901995,0.5737312384346515
EOS-2-08575,Oc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cnc(Cl)nc1,XJWYWUWDFVXWPO-UHFFFAOYSA-N,2,1,0.573,35,393,445.87,3.624,5,0.394,0.68,1.0,0.8722500171338496,0.8771074635049003,0.6244088821876499,0.57502056061956,0.73719673086149
EOS-2-08576,COc1ncncc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)nc3)n12,JXLLDSCBNXPHDX-UHFFFAOYSA-N,2,1,0.506,97,801,445.87,3.884,5,0.388,0.75,1.0,0.7827941881982043,0.7824086765814543,0.5382256185319718,0.5024929751216504,0.6514803646083203
EOS-2-08577,Oc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cncnc1,BSVFMIVDALDYNC-UHFFFAOYSA-N,2,1,0.54,35,215,445.87,3.624,5,0.394,0.57,1.0,0.8783496676033171,0.8600250154204647,0.6649047357960387,0.6412857240764855,0.7611412857240765
EOS-2-08578,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)cc1,MRJQHPLMSHPXNZ-UHFFFAOYSA-N,2,1,0.46,97,390,445.87,3.884,5,0.388,0.82,1.0,0.6564063463779042,0.6527825371804538,0.5614933863340416,0.4987492289767665,0.5923578747172915
EOS-2-08579,OCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccncc1,WECKDKNYQQYJAL-UHFFFAOYSA-N,2,1,0.409,46,160,445.87,3.368,5,0.423,0.69,1.0,0.5563789322184909,0.5332568021383044,0.5649715578096086,0.5781303543280104,0.5581844116236035
EOS-2-08580,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1=O,DDFOVBKLXQEGOJ-UHFFFAOYSA-N,2,1,0.462,97,470,445.87,3.179,5,0.383,0.69,1.0,0.5027414159413337,0.4213641971078062,0.5749520252210266,0.5718679322870263,0.5177313926392982
EOS-2-08581,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cccnc1,MAEHRJUKOZWEGU-UHFFFAOYSA-N,2,1,0.484,97,83,445.87,3.884,5,0.388,0.68,1.0,0.6993095058597766,0.6817558769104243,0.587451168528545,0.5256836406003701,0.623550047974779
EOS-2-08582,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cn2)n[nH]1,AMKVTQNXDKPMQA-UHFFFAOYSA-N,2,1,0.573,11,56,445.87,3.212,5,0.427,0.74,0.998,0.6690596943321225,0.7435833733123158,0.5107343567952848,0.555753546706874,0.6197827427866494
EOS-2-08583,COc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)c(Cl)n4)n23)n1,VUQGOFPZQNJAAV-UHFFFAOYSA-N,2,1,0.398,97,700,445.87,3.884,5,0.363,0.75,1.0,0.6504609005551367,0.6046706874100473,0.41110102117743813,0.4082996367623878,0.5186330614762525
EOS-2-08584,OCc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccnc5Cl)n34)c2)cn1,DGAJTPJJPRSCFT-UHFFFAOYSA-N,2,1,0.442,2,419,445.87,3.368,5,0.396,0.73,1.0,0.5815142896305942,0.6000702487834967,0.6731118497704064,0.6412942910013022,0.6239976697964498
EOS-2-08585,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)n4)n23)cc1,ZCLSJXZZJOEUGU-UHFFFAOYSA-N,2,1,0.516,1,268,445.87,3.368,5,0.423,0.73,1.0,0.6721523541909397,0.6768984305393736,0.5615019532588582,0.5429202933315057,0.6133682578301693
EOS-2-08586,OCc1ccc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,ZFHRVSOGWAZGNA-UHFFFAOYSA-N,2,1,0.478,2,419,445.87,3.368,5,0.423,0.74,1.0,0.5648773216366253,0.5859947913097114,0.6948975395791926,0.6669350969775889,0.6281761873757796
EOS-2-08587,COc1cc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)ccc1Cl,HCVTWWJNZORBIE-UHFFFAOYSA-N,2,1,0.451,55,815,445.87,3.884,5,0.388,0.8,1.0,0.6842060174079913,0.7158008361318621,0.629977383318484,0.5654084709752587,0.6488481769583989
EOS-2-08588,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,NXPMUDRRAIINAW-UHFFFAOYSA-N,2,1,0.452,46,160,445.87,3.368,5,0.396,0.72,1.0,0.5053114933863341,0.470007196216846,0.6482506339524364,0.6087656774724145,0.5580837502570077
EOS-2-08589,COc1nc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)ccc1-c1cncnc1,DZLXFWKXUDOUQY-UHFFFAOYSA-N,2,1,0.483,49,348,445.87,3.884,5,0.388,0.79,1.0,0.7021537248989103,0.6046792543348639,0.5749605921458433,0.5360067850044548,0.604450089096018
EOS-2-08590,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,JCVNZCSQNONGFV-UHFFFAOYSA-N,2,1,0.458,97,55,445.87,3.368,5,0.396,0.67,1.0,0.6076091426221644,0.6000788157083133,0.6269960934822836,0.5965064080597628,0.607797614968131
EOS-2-08591,COc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)ccc1Cl,KEOGQVSDAMHSFP-UHFFFAOYSA-N,2,1,0.505,4,67,445.87,3.884,5,0.388,0.66,1.0,0.7358388732780481,0.8186810362552258,0.6482592008772531,0.5718764992118429,0.6936639024055925
EOS-2-08592,Cn1nc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccc1=O,KDPDAMORCDEHKC-UHFFFAOYSA-N,2,1,0.523,43,268,445.87,3.179,5,0.409,0.73,0.919,0.5732643410321431,0.7203070385854293,0.3710849153587828,0.41475053114933863,0.5198517065314234
EOS-2-08593,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)c(Cl)c2)cc1=O,XSZUHITUXJXJMA-UHFFFAOYSA-N,2,1,0.614,4,470,445.87,3.179,5,0.409,0.78,1.0,0.3815022959358509,0.519652525529436,0.4966417654718662,0.5126276471797684,0.4776060585292304
EOS-2-08594,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)cn1,ILXREIFVDPVISS-UHFFFAOYSA-N,2,1,0.467,4,31,445.87,3.884,5,0.363,0.79,1.0,0.5759372215749434,0.6527911041052704,0.5382341854567885,0.4527619765608937,0.5549311219244739
EOS-2-08595,Clc1cncc(CCOc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)n1,RXUFKRRHYBVBDL-UHFFFAOYSA-N,2,1,0.544,11,846,445.87,4.044,5,0.37,0.74,1.0,0.8209084367075594,0.8507042012199301,0.42613597423069016,0.4242512507710232,0.6304999657323007
EOS-2-08596,Clc1cccc(OCCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c1,OHYNYJBZUYTQTL-UHFFFAOYSA-N,2,1,0.511,24,56,445.87,3.755,5,0.349,0.73,1.0,0.8130011651017751,0.8149201562607087,0.57496915907066,0.5718850661366596,0.6936938866424509
EOS-2-08597,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)c(Cl)c1,UAOYRBXWVYDJDF-UHFFFAOYSA-N,2,1,0.494,4,817,445.87,3.368,5,0.423,0.68,1.0,0.6048248920567473,0.7294393804399972,0.7464104585018162,0.7099838941813447,0.6976646562949763
EOS-2-08598,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)n[nH]1,ZIMCMYBSHKFQNI-UHFFFAOYSA-N,2,1,0.54,91,201,445.87,3.212,5,0.399,0.71,1.0,0.865662051949832,0.7737817832910698,0.5581694195051744,0.5654170379000754,0.6907575731615379
EOS-2-08599,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ncccn5)cc4)n23)cn1,PMAWWAQSVGXGLU-UHFFFAOYSA-N,2,1,0.571,35,201,445.87,4.044,5,0.346,0.74,1.0,0.9298197519018573,0.8903519292714687,0.5348074155301213,0.47150640805976285,0.7066213761908025
EOS-2-08600,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1,NCBINBMXTRQLRK-UHFFFAOYSA-N,2,1,0.565,43,805,445.87,3.368,5,0.423,0.77,1.0,0.8656706188746488,0.6817644438352409,0.6393924336920019,0.6055616475909807,0.6980972859982181
EOS-2-08601,OCc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,VARDICOZZGMWLY-UHFFFAOYSA-N,2,1,0.512,2,419,445.87,3.368,5,0.423,0.69,1.0,0.5359039819066548,0.6281697621821671,0.6511633883901035,0.6235436227811665,0.6096951888150229
EOS-2-08602,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cncnc1,DHDXGDRMJFKXJO-UHFFFAOYSA-N,2,1,0.5,16,83,445.87,3.884,5,0.363,0.68,1.0,0.880260091837434,0.6720409841683229,0.7312041669522308,0.6382530326913851,0.7304395689123433
EOS-2-08603,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cnccn1,OALBWBOGGROLMF-UHFFFAOYSA-N,2,1,0.494,16,540,445.87,3.884,5,0.388,0.66,1.0,0.87435748063875,0.6965766568432595,0.6649133027208554,0.5874597354533616,0.7058267939140567
EOS-2-08604,Clc1cncc(COc2cncc3nnc(-c4ccc(COc5ccccn5)nc4)n23)c1,WWODCVYJBCWIGW-UHFFFAOYSA-N,2,1,0.54,97,879,445.87,3.788,5,0.373,0.7,0.999,0.6215817969981495,0.6720495510931396,0.5749777259954767,0.512636214104585,0.5953113220478377
EOS-2-08605,OCc1cnc(COc2cncc3nnc(-c4cccnc4-c4ccc(Cl)cc4)n23)cn1,DLLJHYLOGJSIOR-UHFFFAOYSA-N,2,1,0.506,4,401,445.87,3.368,5,0.423,0.71,0.999,0.5592060174079913,0.6965852237680762,0.472714344458913,0.5090124049071345,0.5593794976355287
EOS-2-08606,Clc1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)c(Cl)c1,FPWSMVJLTHFERO-UHFFFAOYSA-N,2,1,0.794,23,370,454.144,6.026,4,0.37,0.76,1.0,0.9783599479130971,0.9918956891234323,0.9749160441367967,0.9944229319443493,0.9848986532794188
EOS-2-08607,N#Cc1cccn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,VVFBZCDJHBMBDI-UHFFFAOYSA-N,2,1,0.547,4,10,445.845,4.22,5,0.402,0.58,0.998,0.6215903639229662,0.8264598039887602,0.8958518950037695,0.89952710575012,0.8108572921664039
EOS-2-08608,N#Cc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(F)c(Cl)c5)c4)n23)cc1,KRZYCRXSEKMHQD-UHFFFAOYSA-N,2,1,0.573,43,96,445.845,4.22,5,0.402,0.76,1.0,0.7084846823384278,0.7866664382153382,0.9258018641628402,0.9292286340895072,0.8375454047015284
EOS-2-08609,Cn1nc(-c2ccc(C#N)cc2)cc1Oc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,GLNGGLCEAXQPOQ-UHFFFAOYSA-N,2,1,0.536,43,417,445.845,4.648,5,0.399,0.83,1.0,0.8130097320265918,0.9130371461860051,0.9049071345349873,0.9055153861969707,0.8841173497361388
EOS-2-08610,N#Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)cn1,BJOFBSOLZRZLLN-UHFFFAOYSA-N,2,1,0.523,43,146,445.845,4.22,5,0.402,0.6,1.0,0.7387773284901652,0.8537968610787472,0.9192653005277226,0.9165752861352888,0.8571036940579809
EOS-2-08611,Fc1ccc(-c2ncsc2-c2nnc3cncc(OCc4ccc(Cl)o4)n23)cc1F,HVVILQNMEIQPQA-UHFFFAOYSA-N,2,1,0.524,59,71,445.838,5.018,5,0.378,0.78,1.0,0.8026523199232404,0.8303063532314441,0.8393273250633952,0.8788636830923172,0.8377874203275992
EOS-2-08612,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nc(Cl)cs5)o4)n23)c(F)c1,UKRUWWNMGPUBTJ-UHFFFAOYSA-N,2,1,0.529,34,10,445.838,5.018,5,0.378,0.63,1.0,0.8997241450209033,0.9386436844630252,0.8085120964978412,0.8393701596874786,0.871562521417312
EOS-2-08613,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nc1C#N,CJUJKWYNWPVGFG-UHFFFAOYSA-N,2,1,0.372,51,924,445.834,1.876,5,0.392,0.59,0.749,0.3862055376602015,0.4122832568021383,0.11022205469124803,0.13647967925433485,0.26129763210198065
EOS-2-08614,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nn2)nn1,SNMMXAMGNQQSIW-UHFFFAOYSA-N,2,1,0.472,36,404,445.834,1.876,5,0.392,0.64,1.0,0.39710266602700295,0.6281783291069838,0.17978548420259063,0.252527242820917,0.3643984305393736
EOS-2-08615,Cn1cnc(-c2nc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)no2)c1,XRKBISBXMNADHD-UHFFFAOYSA-N,2,1,0.261,86,151,445.834,2.476,6,0.375,0.72,0.794,0.04416249742992256,0.053183469261873756,0.054125830991707216,0.09691762045096292,0.06209735453361662
EOS-2-08616,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C#N)c(Cl)c5)n34)nn2)no1,ZPVUNRWMBYVTOX-UHFFFAOYSA-N,2,1,0.489,36,677,445.83,3.044,5,0.396,0.67,1.0,0.5619131656500582,0.7017253786580769,0.2932715372489891,0.335078130354328,0.4729970529778631
EOS-2-08617,N#Cc1ccc(-c2nnc3cncc(Oc4nnc(-c5ccc(Cl)nn5)cc4F)n23)cc1,OKNYKQGTDBQPTK-UHFFFAOYSA-N,2,1,0.466,72,706,445.805,3.495,5,0.408,0.69,0.984,0.9493866081831266,0.9295627441573573,0.609579535329998,0.6611952573504215,0.7874310362552258
EOS-2-08618,FC(F)(F)c1cc(-c2nnc3cncc(OCc4nnc5ccccn45)n23)ccc1Cl,LMUGHUIKRATNSH-UHFFFAOYSA-N,2,1,0.494,36,51,445.792,4.085,5,0.414,0.76,1.0,0.8286700705914605,0.9070402988143376,0.9471335069563429,0.9320557192790077,0.9037248989102872
EOS-2-08619,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4F)n23)no1,QOOLCANIMZAUKO-UHFFFAOYSA-N,2,1,0.489,36,728,445.777,2.48,5,0.375,0.7,1.0,0.4655095606880954,0.6623089575765883,0.32622849701871015,0.43692173257487493,0.47274218696456716
EOS-2-08620,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(Br)cc5F)n34)nn2)cc1,ASQCFQAMKWSXMF-UHFFFAOYSA-N,2,1,0.386,45,730,454.238,4.08,5,0.411,0.74,1.0,0.06393495990679186,0.35509046672606404,0.82532896991296,0.8899407168802687,0.5335737783565211
EOS-2-08621,Clc1cnc(-c2ncnc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)n2)cn1,BPHGPPWHQGINDP-UHFFFAOYSA-N,2,1,0.383,51,48,454.241,2.109,5,0.36,0.65,0.959,0.5732729079569597,0.6867075594544583,0.0762713316427935,0.13224761839490096,0.36712485436227815
EOS-2-08622,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3ncnc(-c4nnc(C(F)F)o4)n3)n12,SRZRIBQJVMIZIB-UHFFFAOYSA-N,2,1,0.385,22,844,445.752,3.423,5,0.409,0.59,0.453,0.3746744568569666,0.6476766499897197,0.39725687067370297,0.5160544171064355,0.4839155986567062
EOS-2-08623,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)nc4)n23)cc1Cl,DMLDOSXUUOQGOU-UHFFFAOYSA-N,2,1,0.568,13,573,454.252,4.882,5,0.358,0.78,1.0,0.9013775615105202,0.9090706599958879,0.8566667808923308,0.8886642450825851,0.888944811870331
EOS-2-08624,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)c2)nn1,WNOCSOZEYKNYIN-UHFFFAOYSA-N,2,1,0.402,13,251,454.252,4.882,5,0.382,0.73,1.0,0.6356829552463847,0.6867161263792749,0.8440734014118292,0.8955777534096361,0.7655125591117813
EOS-2-08625,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ccn4)n23)cc1Cl,UNDRIFPZYFNJFQ-UHFFFAOYSA-N,2,1,0.506,13,573,454.252,4.882,5,0.382,0.72,1.0,0.765651771640052,0.7017339455828936,0.8566753478171476,0.9030481118497704,0.8067772942224659
EOS-2-08626,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cnc(Cl)nc4)cn3)n12,NUYYNIHPIIWUSZ-UHFFFAOYSA-N,2,1,0.409,13,110,454.252,4.882,5,0.358,0.79,1.0,0.7329432526900144,0.807252758549791,0.8752827085189501,0.9007864436981701,0.8290662908642314
EOS-2-08627,Fc1ncccc1-c1cc(-c2nnc3cncc(Oc4ncccc4Cl)n23)cnc1Cl,KTUJQCDXCIRHQM-UHFFFAOYSA-N,2,1,0.371,13,995,454.252,4.882,5,0.358,0.7,1.0,0.8079895140840244,0.877116030429717,0.832705092180111,0.8687204441093825,0.8466327702008087
EOS-2-08628,Fc1cc(Cl)ccc1-c1nnc2cncc(Oc3ccc(-c4ccc(Cl)nn4)cn3)n12,NRGKGKXWUKRWPD-UHFFFAOYSA-N,2,1,0.443,34,417,454.252,4.882,5,0.382,0.7,1.0,0.7387858954149819,0.9342488520320745,0.8489308477828799,0.8886728120074018,0.8526596018093345
EOS-2-08629,Fc1cc(Oc2cncc3nnc(-c4cc(-c5cncc(Cl)c5)ncn4)n23)ccc1Cl,UTDAXTKPWQKWHP-UHFFFAOYSA-N,2,1,0.483,13,573,454.252,4.882,5,0.382,0.75,0.994,0.7627989856761017,0.6916678089233089,0.8817935713796176,0.9230176135974231,0.8148194948941128
EOS-2-08630,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nn4)n23)cc1Cl,DXRYMRULFBYOTE-UHFFFAOYSA-N,2,1,0.518,13,573,454.252,4.882,5,0.358,0.72,1.0,0.7996367623877733,0.8405866630114454,0.8598022753752314,0.9111695565759715,0.8527988143376054
EOS-2-08631,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ncn3)n12,WGFFJCJVPZKHDJ-UHFFFAOYSA-N,2,1,0.387,13,971,454.252,4.882,5,0.358,0.7,1.0,0.6597731478308546,0.765240559248852,0.8712134192310328,0.9099873209512713,0.8015536118155028
EOS-2-08632,Fc1ccc(Oc2cc(-c3nnc4cncc(-c5cnncn5)n34)ccc2Cl)cc1Cl,HVHDCUZOHGYLGP-UHFFFAOYSA-N,2,1,0.407,45,730,454.252,4.882,5,0.382,0.78,1.0,0.5232677678020697,0.7866750051401549,0.9300681927215406,0.9543211568775273,0.7985830306353231
EOS-2-08633,Fc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)ncn2)ccc1Cl,YFWFDNSENKFPMX-UHFFFAOYSA-N,2,1,0.383,44,971,454.252,4.882,5,0.358,0.73,1.0,0.7480039065177164,0.7947707490919059,0.8840895072304845,0.9176547186621891,0.836129720375574
EOS-2-08634,Fc1cc(-c2cncc3nnc(-c4cnc(Cl)nc4)n23)c(Oc2ccc(Cl)cc2)cn1,RSVJTVWDJBUGCI-UHFFFAOYSA-N,2,1,0.344,13,575,454.252,4.882,5,0.282,0.74,0.996,0.5078558700568844,0.6916763758481256,0.8684805702145157,0.9043331505722706,0.743086491672949
EOS-2-08635,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)cn4)n23)cc1Cl,SUKRSYASELGOKJ-UHFFFAOYSA-N,2,1,0.524,13,573,454.252,4.882,5,0.358,0.79,1.0,0.867752381605099,0.8538054280035638,0.8865139469536015,0.909995887876088,0.8795169111095882
EOS-2-08636,Fc1cccc(Cl)c1-c1nnc2cncc(Oc3ccc(-c4cccc(Cl)n4)nn3)n12,LCBDHXSUUNZYNS-UHFFFAOYSA-N,2,1,0.375,34,671,454.252,4.882,5,0.358,0.69,0.996,0.7741073264341032,0.8149287231855253,0.7674165581522857,0.8538482626276471,0.8025752175998904
EOS-2-08637,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5cnc(Cl)nc5)c4)n23)c(Cl)c1,VDYKBRNBVAMVOI-UHFFFAOYSA-N,2,1,0.482,13,110,454.252,4.882,5,0.358,0.74,1.0,0.7480124734425331,0.8507127681447467,0.8790778562127339,0.9030566787745871,0.8452149441436503
EOS-2-08638,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cnc(Cl)nc4)nc3)n12,FXGQPAAPWXYGFX-UHFFFAOYSA-N,2,1,0.476,13,995,454.252,4.882,5,0.358,0.74,1.0,0.7996453293125899,0.9022770886162703,0.8739719690219999,0.8982592008772531,0.8685383969570283
EOS-2-08639,Fc1ncc(Cl)cc1Oc1cncc2nnc(-c3ccc(-c4ccnc(Cl)c4)nc3)n12,KRRRUQKTRSFGMN-UHFFFAOYSA-N,2,1,0.413,13,735,454.252,4.882,5,0.358,0.73,1.0,0.8545336166129806,0.9070488657391542,0.8655935165512988,0.8899492838050853,0.8792813206771297
EOS-2-08640,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)nn2)cc1Cl,KJMJOOGUSVKTQI-UHFFFAOYSA-N,2,1,0.4,54,691,454.252,4.882,5,0.358,0.76,1.0,0.782802755123021,0.7990456445754232,0.8613100541429648,0.9111781235007882,0.8385841443355493
EOS-2-08641,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)cc1Cl,DCFKCCJMKNIPSD-UHFFFAOYSA-N,2,1,0.59,13,995,454.252,4.882,5,0.358,0.8,1.0,0.919333835926256,0.9243883215680899,0.8865225138784182,0.9076057158522377,0.9094625968062504
EOS-2-08642,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2Cl)cc1F,DOYVTYFKOCTZTG-UHFFFAOYSA-N,2,1,0.429,45,102,454.267,6.105,5,0.33,0.82,1.0,0.4703498732095127,0.8337416900829279,0.9869268727297649,0.9961877184565828,0.8218015386196971
EOS-2-08643,Fc1ccc(-c2ncc(Cl)cc2-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1,RGKKIPKGJBFJPD-UHFFFAOYSA-N,2,1,0.414,45,102,454.267,6.105,5,0.33,0.77,1.0,0.49764409567541634,0.814937290110342,0.9808272222602974,0.9940031526283325,0.821852940168597
EOS-2-08644,Fc1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(Cl)c1F,WRAHBUFPHKFVHJ-UHFFFAOYSA-N,2,1,0.435,45,102,454.267,6.105,5,0.309,0.72,1.0,0.4492152696867932,0.8032777054348571,0.9831317250359811,0.9935405386882324,0.807291309711466
EOS-2-08645,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)c(F)c5)cc4)n23)cc1Cl,RJOWBRHGOPIXCL-UHFFFAOYSA-N,2,1,0.378,45,558,454.267,6.105,5,0.309,0.79,1.0,0.47300561990267975,0.7479182372695498,0.9886573915427318,0.9960763484339662,0.8014143992872319
EOS-2-08646,Fc1cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1-c1cnc(Cl)c(F)c1,KPMZXPFXJHFJEZ-UHFFFAOYSA-N,2,1,0.456,45,533,454.267,6.105,5,0.309,0.82,1.0,0.4902337057089987,0.8370570899869783,0.9879206360084984,0.9959906791857994,0.8278005277225687
EOS-2-08647,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cnc(Cl)c(F)c4)cc3)n12,KVDBZZZZSWRITF-UHFFFAOYSA-N,2,1,0.375,83,558,454.267,6.105,5,0.309,0.78,1.0,0.4442978548420259,0.7990542115002399,0.9866612980604482,0.9953909944486328,0.8063510897128366
EOS-2-08648,COc1cc(-c2nnc3cncc(Oc4c(Cl)cccc4Cl)n23)ccc1-c1cnco1,VGBRGACACAOJDX-UHFFFAOYSA-N,2,1,0.5,13,209,454.273,5.554,5,0.344,0.68,1.0,0.777105750119937,0.7111404290315948,0.8958604619285861,0.8788722500171339,0.815744722774313
EOS-2-08649,Clc1cc(Cl)cc(CCOc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)c1,BRTUNDSUJVLQPB-UHFFFAOYSA-N,2,1,0.566,84,752,454.277,4.165,5,0.377,0.64,1.0,0.632761633883901,0.657417243506271,0.659687478582688,0.7313069700500309,0.6702933315057228
EOS-2-08650,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5c(Cl)cccc5Cl)n34)cn2)o1,VBJIXCHBAUJXKS-UHFFFAOYSA-N,2,1,0.477,59,483,454.277,4.431,5,0.384,0.75,1.0,0.6842145843328079,0.7064800219313275,0.5414810499623055,0.6291806593105339,0.6403390788842437
EOS-2-08651,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)no1,KTUQBHAWFCNUPJ-UHFFFAOYSA-N,2,1,0.529,73,446,454.277,4.431,5,0.384,0.7,1.0,0.6132633130011651,0.782417243506271,0.514469536015352,0.5994362963470633,0.6273965972174629
EOS-2-08652,Cc1ccc(-c2nnc3cncc(OCc4noc(-c5cc(Cl)ccn5)n4)n23)cc1Cl,UERPCRLLBLTERO-UHFFFAOYSA-N,2,1,0.477,73,335,454.277,4.431,5,0.384,0.76,1.0,0.5903896237406621,0.5860033582345281,0.4693818107052293,0.5965149749845795,0.5605724419162497
EOS-2-08653,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ncco5)ncc4Cl)n23)cn1,CABHKVKZXMPRPY-UHFFFAOYSA-N,2,1,0.529,58,583,454.277,4.165,5,0.352,0.66,1.0,0.7685216914536358,0.7203156055102461,0.5246299088479199,0.5936621890206292,0.6517823487081077
EOS-2-08654,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5Cl)n34)cn2)o1,QNZJEVLTGCAGIE-UHFFFAOYSA-N,2,1,0.494,59,483,454.277,4.431,5,0.384,0.76,1.0,0.6690682612569392,0.7248817764375299,0.5717308614899596,0.6469655952299362,0.6531616236035912
EOS-2-08655,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nc2)no1,BPJSDWMYTWHEJQ-UHFFFAOYSA-N,2,1,0.58,4,71,454.277,4.431,5,0.384,0.78,1.0,0.6752535809745733,0.8186896031800425,0.5649801247344254,0.6235521897059831,0.670618874648756
EOS-2-08656,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2Cl)n1,LGFYXXNESVRLNQ-UHFFFAOYSA-N,2,1,0.512,16,55,454.277,4.431,5,0.359,0.71,1.0,0.8051966965937907,0.7203241724350627,0.612415187444315,0.6554125830991707,0.6983371598930849
EOS-2-08657,Cc1cc(Cl)cc(Cl)c1-c1nnc2cncc(OCc3noc(-c4ccccn4)n3)n12,GGZSBJXSKSHDFL-UHFFFAOYSA-N,2,1,0.467,24,446,454.277,4.431,5,0.384,0.78,1.0,0.5490199438009732,0.6095966691796313,0.34449318072784596,0.4745048317455966,0.49440365636351175
EOS-2-08658,Clc1cncc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccco4)nn3)n12,CYPMJPOOJSGKNG-UHFFFAOYSA-N,2,1,0.453,54,411,454.277,4.165,5,0.377,0.57,1.0,0.6597817147556713,0.5424319786169557,0.47584983894181343,0.6087742443972312,0.5717094441779179
EOS-2-08659,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)cn1,DZIIFYCANHNQJP-UHFFFAOYSA-N,2,1,0.595,72,669,454.277,4.165,5,0.352,0.69,1.0,0.8722585840586663,0.8656277842505654,0.6455092180111027,0.7041840860804606,0.7718949181001987
EOS-2-08660,Cc1cc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)nc5)o4)n23)ccc1Cl,SQJRAUNRLMYCNI-UHFFFAOYSA-N,2,1,0.483,4,534,454.277,4.431,5,0.359,0.73,1.0,0.6629429100130217,0.7990627784250566,0.5483774244397231,0.635365979028168,0.6614372729764924
EOS-2-08661,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ccc5Cl)n34)cn2)o1,YUGYZEVHTHWADU-UHFFFAOYSA-N,2,1,0.435,4,390,454.277,4.431,5,0.359,0.7,1.0,0.6161332328147489,0.7435919402371325,0.5281423480227537,0.565425604824892,0.6133232814748817
EOS-2-08662,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)no1,BIDVGABHSYHIJQ-UHFFFAOYSA-N,2,1,0.561,4,10,454.277,4.431,5,0.384,0.73,1.0,0.5846412171886779,0.7780652456994037,0.5181618806113357,0.59944486327188,0.6200783016928243
EOS-2-08663,Cc1coc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)n1,MGMPLYFTCJZDSE-UHFFFAOYSA-N,2,1,0.494,24,980,454.277,4.431,5,0.384,0.65,1.0,0.6690768281817558,0.5613905832362415,0.564988691659242,0.602331916935097,0.5994470050030841
EOS-2-08664,Cn1nc(-c2cncnc2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,RWSBRTAZYYJCDR-UHFFFAOYSA-N,2,1,0.529,73,446,454.281,3.263,5,0.398,0.72,0.999,0.4398259200877253,0.6965937906928928,0.21048934274552805,0.36742683846206564,0.428583972997053
EOS-2-08665,Cn1nc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)cc1-c1cncc(Cl)c1,RRSCSXQTIXZLQJ-UHFFFAOYSA-N,2,1,0.441,95,694,454.281,3.263,5,0.373,0.72,0.982,0.30242101295319035,0.36960283736549926,0.3153399355767254,0.3988674525392365,0.3465578096086629
EOS-2-08666,Cn1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1cnc(Cl)nc1,GPYUMQHIDVHJEV-UHFFFAOYSA-N,2,1,0.402,95,462,454.281,3.263,5,0.294,0.7,0.984,0.3839438695086012,0.38853574121033513,0.41110958810225484,0.4590672332259612,0.4106641080117881
EOS-2-08667,Cn1cc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)nn1,QJDPKGDBAJGFRU-UHFFFAOYSA-N,2,1,0.523,73,446,454.281,3.263,5,0.398,0.69,1.0,0.4950825851552327,0.6966023576177095,0.32989514084024396,0.4557775340963608,0.4943394044273867
EOS-2-08668,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(Cl)c1,YAXYVZAQMPILPN-UHFFFAOYSA-N,2,1,0.489,36,208,454.281,3.263,5,0.398,0.64,1.0,0.4539099444863272,0.5907580015077788,0.3338530601055445,0.42756665067507366,0.45152191419368104
EOS-2-08669,Cn1c(OCc2ccc(Cl)nn2)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,QWNSQHBBLUGSQU-UHFFFAOYSA-N,2,1,0.392,22,311,454.281,3.263,5,0.398,0.72,1.0,0.39274210129531906,0.5806918648481941,0.13924679597011858,0.2972894249880063,0.35249254677540953
EOS-2-08670,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nc1Cl,OGOHAMGEMFUBLD-UHFFFAOYSA-N,2,1,0.37,51,924,454.281,3.263,5,0.373,0.59,0.998,0.4780943732437804,0.4435868000822425,0.29698958261942293,0.37039956137344937,0.3972675793297238
EOS-2-08671,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(Cl)n2)n1,QSVVYDSBTMCXGG-UHFFFAOYSA-N,2,1,0.456,55,62,454.281,3.263,5,0.373,0.64,0.999,0.5463641971078061,0.547323692687273,0.2969981495442396,0.39271640052086904,0.4458506099650469
EOS-2-08672,Cn1nc(-c2ncccn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,AUASAXBDNQFZSF-UHFFFAOYSA-N,2,1,0.518,73,446,454.281,3.263,5,0.398,0.64,0.974,0.4562315811116442,0.6966109245425263,0.10232335001028031,0.2465132615996162,0.3754197793160167
EOS-2-08673,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5cnc(Cl)c(Cl)c5)n34)nn2)cn1,SDLZJNXBJWKXAO-UHFFFAOYSA-N,2,1,0.354,53,44,454.281,3.959,5,0.367,0.65,1.0,0.39060037009115206,0.42137276403262286,0.35973373997669794,0.4369302994996916,0.4021592934000411
EOS-2-08674,Cn1nc(-c2ncc(Cl)cn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,JLGLDLQHCPKJRM-UHFFFAOYSA-N,2,1,0.57,73,82,454.281,3.263,5,0.398,0.64,0.998,0.67526214789939,0.7866835720649715,0.0904324583647454,0.23794633678294838,0.4475811287780138
EOS-2-08675,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cnc1Cl,GOHDIOQLDHEQPK-UHFFFAOYSA-N,2,1,0.467,55,36,454.281,3.263,5,0.373,0.54,1.0,0.46551812761291206,0.5613991501610582,0.46568089918442873,0.5490285107257898,0.5104066719210473
EOS-2-08676,Cn1c(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nnc1-c1cccnn1,WGINGPISVLBCMT-UHFFFAOYSA-N,2,1,0.5,36,404,454.281,3.263,5,0.398,0.72,0.98,0.45391851141114387,0.7064885888561442,0.1481049962305531,0.34136625316976216,0.4124695874169008
EOS-2-08677,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2Cl)cn1,MPZKPODEPYINJJ-UHFFFAOYSA-N,2,1,0.377,92,94,454.281,3.263,5,0.373,0.58,1.0,0.40130045918717017,0.435062709889658,0.3788808169419505,0.43693886642450824,0.4130457131108217
EOS-2-08678,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(Cl)c1,GBEWQUZROTVZHB-UHFFFAOYSA-N,2,1,0.451,36,79,454.281,3.263,5,0.398,0.62,1.0,0.3746830237817833,0.5150777876773354,0.4261445411555068,0.502501542046467,0.45460172366527307
EOS-2-08679,Clc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4nn[nH]n4)nc3)n12,PWESBXDKAVQPKV-UHFFFAOYSA-N,2,1,0.529,84,749,454.281,3.295,5,0.415,0.67,1.0,0.7358474402028647,0.7737903502158865,0.43712733877047494,0.5781389212528271,0.6312260126105133
EOS-2-08680,Cn1cncc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nn1,ZWCYUUYUVDHMDM-UHFFFAOYSA-N,2,1,0.506,36,446,454.281,3.263,5,0.398,0.63,1.0,0.4655266945377287,0.6867246933040916,0.3226303885957097,0.4651925844698787,0.48501859022685223
EOS-2-08681,Cn1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1-c1cncc(Cl)c1,AQXPREUUEMMXSS-UHFFFAOYSA-N,2,1,0.371,51,694,454.281,3.263,5,0.373,0.69,0.991,0.3399612774998287,0.36961140429031597,0.2675193612500857,0.37703036118155026,0.33853060105544514
EOS-2-08682,Cn1nc(-c2ccc(Cl)nn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,YANBMVAUIJFNOS-UHFFFAOYSA-N,2,1,0.561,36,404,454.281,3.263,5,0.398,0.71,0.989,0.6902628332533753,0.8186981701048591,0.12441744911246659,0.28531286409430473,0.4796728291412514
EOS-2-08683,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1cncc(Cl)c1,AZKFVMBHDKYLLB-UHFFFAOYSA-N,2,1,0.38,51,924,454.281,3.263,5,0.398,0.66,0.998,0.3493763278733466,0.3550990336508807,0.26368994585703515,0.37703892810636697,0.3363010588719073
EOS-2-08684,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc(Cl)n1,AYCPFEDXJQMBJW-UHFFFAOYSA-N,2,1,0.427,51,196,454.281,3.263,5,0.373,0.64,0.999,0.5003512439174834,0.49213556301829897,0.22794873552189707,0.30356898087862383,0.38100113083407583
EOS-2-08685,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nc1,BZUNXDXJUPEIHO-UHFFFAOYSA-N,2,1,0.573,36,728,454.281,3.263,5,0.398,0.73,1.0,0.5706514289630594,0.7695411555068192,0.389777945308752,0.5192070454389692,0.5622943938044
EOS-2-08686,Cn1nc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cc1Cl,HOZNLUMJFQETEU-UHFFFAOYSA-N,2,1,0.556,36,404,454.281,3.263,5,0.398,0.68,1.0,0.6564149133027208,0.8072613254746076,0.24585360838873277,0.40192584469878695,0.5278639229662121
EOS-2-08687,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)nc1Cl,FVHBPAPJNZOZRP-UHFFFAOYSA-N,2,1,0.413,46,565,454.281,3.263,5,0.373,0.62,1.0,0.4144421218559386,0.43025666506750737,0.40439311904598724,0.4865413611130149,0.43390831677061203
EOS-2-08688,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(Cl)n4)n23)cc1,JRWZVLGGEFEMHX-UHFFFAOYSA-N,2,1,0.53,36,447,454.281,3.263,5,0.373,0.76,1.0,0.507864436981701,0.60008738263313,0.33713419231032826,0.45578610102117745,0.4752180282365842
EOS-2-08689,Cn1cc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ncn2)cn1,BNFRQKXVDGONKD-UHFFFAOYSA-N,2,1,0.4,46,980,454.281,3.263,5,0.398,0.6,1.0,0.40774278664930436,0.35999931464601465,0.49322356247001575,0.5490370776506065,0.45250068535398535
EOS-2-08690,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)ncn1,MHEYQQFTBJXZON-UHFFFAOYSA-N,2,1,0.523,36,29,454.281,3.263,5,0.398,0.63,1.0,0.5177763689945857,0.7294479473648139,0.3338616270303612,0.46520115139469537,0.5115717736961141
EOS-2-08691,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(Cl)c1,HEVIHFBZBKYITJ-UHFFFAOYSA-N,2,1,0.512,36,728,454.281,3.263,5,0.398,0.75,1.0,0.5540744294428072,0.6281868960318004,0.40440168597080395,0.5429288602563224,0.5323979679254335
EOS-2-08692,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c1,YNDKGNGTQIVWIP-UHFFFAOYSA-N,2,1,0.566,36,391,454.281,3.263,5,0.398,0.75,1.0,0.5151805907751353,0.7652491261736687,0.3934445891302858,0.5192156123637859,0.548272479610719
EOS-2-08693,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)nn1,BIGFCNIMCVGLOT-UHFFFAOYSA-N,2,1,0.535,73,212,454.281,3.263,5,0.398,0.6,1.0,0.42853471317935715,0.6476852169145364,0.36718696456719896,0.48364574052498116,0.48176315879651843
EOS-2-08694,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nn2)cn1,XVEOVYVQXWYZHL-UHFFFAOYSA-N,2,1,0.512,36,446,454.281,3.263,5,0.398,0.74,1.0,0.4467565622644096,0.7111489959564115,0.3635802892193818,0.4836543074497978,0.5012850387225002
EOS-2-08695,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)n1,QWLULCCBOAMWSW-UHFFFAOYSA-N,2,1,0.554,36,10,454.281,3.263,5,0.398,0.65,1.0,0.4516739771091769,0.7158094030566787,0.3486224384894798,0.47151497498457956,0.4969051984099787
EOS-2-08696,Cn1nc(-c2cnccn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,QECFYDFNCNOUJS-UHFFFAOYSA-N,2,1,0.512,73,446,454.281,3.263,5,0.398,0.67,0.993,0.4374785826879583,0.6769069974641903,0.15734870810773766,0.3161880611335755,0.3969805873483654
EOS-2-08697,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1cnc(Cl)cn1,VHGFXUWRFYXWQF-UHFFFAOYSA-N,2,1,0.398,55,62,454.281,3.263,5,0.398,0.61,0.973,0.4054468507984374,0.3838582002604345,0.33387019395517786,0.4306421766842574,0.3884543554245768
EOS-2-08698,Cn1ncc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1-c1ccc(Cl)cn1,INZSWSJGIRABJQ-UHFFFAOYSA-N,2,1,0.442,51,196,454.281,3.263,5,0.398,0.65,1.0,0.45168254403399355,0.4612946336782948,0.21384757727366185,0.33184839969844426,0.36466828867109863
EOS-2-08699,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cncc(Cl)c1,UUEHKRCVVRKEKZ-UHFFFAOYSA-N,2,1,0.43,95,694,454.281,3.263,5,0.398,0.67,0.997,0.31542560482489207,0.35021588650538005,0.30773250633952437,0.4178431910081557,0.3478042971694881
EOS-2-08700,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)nn1,QLMIZEVFAJBTAT-UHFFFAOYSA-N,2,1,0.506,73,212,454.281,3.263,5,0.398,0.69,1.0,0.38395243643341787,0.5953584401343294,0.3560499623055308,0.48366287437461447,0.45475592831197315
EOS-2-08701,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(Cl)cn5)n34)cc2)n1,OUYDIZKXAFEWIE-UHFFFAOYSA-N,2,1,0.543,36,447,454.281,3.263,5,0.398,0.66,1.0,0.5127732849016517,0.5519412651634569,0.40084641217188677,0.48043314371873075,0.48649852648893155
EOS-2-08702,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c(Cl)n2)n1,PWGBGKFLSOAJFO-UHFFFAOYSA-N,2,1,0.436,7,94,454.281,3.263,5,0.373,0.54,1.0,0.4306764443835241,0.5103231444040847,0.2861352888767048,0.3541652388458639,0.39532502912754436
EOS-2-08703,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1Cl,OZKNFKIZJWAHTR-UHFFFAOYSA-N,2,1,0.482,51,196,454.281,3.263,5,0.398,0.67,1.0,0.6327702008087177,0.6281954629566171,0.30433143718730726,0.4116150366664382,0.49422803440477003
EOS-2-08704,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ccc(Cl)nc1,FCZVKFNCJLUGSE-UHFFFAOYSA-N,2,1,0.396,51,924,454.281,3.263,5,0.373,0.64,0.996,0.33533513809882803,0.3885443081351518,0.27089472962785277,0.36743540538688235,0.34055239531217874
EOS-2-08705,Cn1c(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cnc1Cl,PMMMMOQQOVCHMD-UHFFFAOYSA-N,2,1,0.444,55,617,454.281,3.263,5,0.398,0.63,1.0,0.4927438146802824,0.5658025495168254,0.3115190871084915,0.3770474950311836,0.4367782365841958
EOS-2-08706,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)nc1Cl,IJWCLNPIEORBFL-UHFFFAOYSA-N,2,1,0.413,46,62,454.281,3.263,5,0.373,0.64,1.0,0.520346446439586,0.48290041806593104,0.307741073264341,0.4242598176958399,0.4338119388664245
EOS-2-08708,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c(F)c1F,DSXGRIGLJROJJS-UHFFFAOYSA-N,2,1,0.667,23,240,454.33,4.729,4,0.312,0.74,1.0,0.9952881913508327,0.9969930093893496,0.9984236858337331,0.997164347885683,0.9969673086148997
EOS-2-08710,FC(F)(F)Oc1ccccc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,ULXZONAEKLBNMO-UHFFFAOYSA-N,2,1,0.618,48,444,454.33,5.288,4,0.384,0.77,1.0,0.9909276266191488,0.9669488040572956,0.9998029607292166,0.9992289767664999,0.9892270920430402
EOS-2-08712,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)c5)ns4)n23)cc1,BRAHTKGPVUVBCQ-UHFFFAOYSA-N,2,1,0.623,57,798,454.342,5.801,5,0.336,0.76,1.0,0.9193424028510726,0.9327239394147077,0.827265094921527,0.9065862517990542,0.8964794222465904
EOS-2-08713,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,RKCSNOCPYVMGCM-UHFFFAOYSA-N,2,1,0.556,1,31,454.342,5.801,5,0.314,0.74,1.0,0.5934480159002125,0.7652576930984853,0.877732849016517,0.9100044548009046,0.78661075320403
EOS-2-08714,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cc1,XQCVQXBWIKRNEY-UHFFFAOYSA-N,2,1,0.477,97,560,454.342,5.801,5,0.336,0.76,1.0,0.6415598656706188,0.7479268041943664,0.8522976492358303,0.9076142827770544,0.7873496504694675
EOS-2-08715,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccsc5)ccn4)n23)c(Cl)c1,VPKHWTOUQANFIX-UHFFFAOYSA-N,2,1,0.575,97,71,454.342,5.801,5,0.336,0.76,1.0,0.6243917483380166,0.8630405729559317,0.8829929408539511,0.9197793160167227,0.8225511445411555
EOS-2-08716,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(Cl)c1,LPDMJRSVDPYBSR-UHFFFAOYSA-N,2,1,0.582,57,951,454.342,5.801,5,0.336,0.76,1.0,0.9178774587074224,0.9090792269207045,0.9107926118840382,0.9346686313480913,0.9181044822150641
EOS-2-08717,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)c(Cl)s4)n23)cc1,DYHYPNPYOWBZJT-UHFFFAOYSA-N,2,1,0.577,57,461,454.342,5.801,5,0.336,0.76,1.0,0.8334161469398944,0.9169950654513056,0.6624802960729217,0.8066445068878075,0.8048840038379823
EOS-2-08718,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)c5)cs4)n23)cc1,UDTFIYJWYVBQOM-UHFFFAOYSA-N,2,1,0.588,57,461,454.342,5.801,5,0.336,0.84,1.0,0.7996538962374066,0.942670139126859,0.7896562949763553,0.884517853471318,0.8541245459529847
EOS-2-08719,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)c2)cc1,HXQVMRRDRMSSNU-UHFFFAOYSA-N,2,1,0.562,97,137,454.342,5.801,5,0.336,0.73,1.0,0.717659858817079,0.7947793160167227,0.9060122678363375,0.9363734493866082,0.8387062230141868
EOS-2-08720,Clc1cncc(Cl)c1COc1cncc2nnc(-c3cccc(-c4ccsc4)c3)n12,YGVOSBIKSGZWRM-UHFFFAOYSA-N,2,1,0.525,97,980,454.342,5.801,5,0.336,0.72,1.0,0.7269035706942636,0.7017425125077102,0.8910629840312522,0.9280121307655405,0.8119302994996916
EOS-2-08721,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)cc2Cl)cn1,WMBWOIADQNCOQX-UHFFFAOYSA-N,2,1,0.538,97,91,454.342,5.801,5,0.314,0.7,1.0,0.8359862243848948,0.8370656569117949,0.911777808237955,0.9337005688438078,0.879632564594613
EOS-2-08722,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ccsc5)c(Cl)c4)n23)c1,QDEXJPAAHROCEB-UHFFFAOYSA-N,2,1,0.557,97,89,454.342,5.801,5,0.336,0.7,1.0,0.8588170790213145,0.8149458570351586,0.9089421561236378,0.9381039681995751,0.8802022650949215
EOS-2-08723,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cc(Cl)cs5)c4)n23)cc1,SVSWJTPPJFAIDG-UHFFFAOYSA-N,2,1,0.653,59,232,454.342,5.801,5,0.336,0.73,1.0,0.9563343842094442,0.9586388869851278,0.8698255774107326,0.9100130217257213,0.9237029675827565
EOS-2-08724,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2)nc1,ALVKCDKDMBDYDC-UHFFFAOYSA-N,2,1,0.53,1,31,454.342,5.801,5,0.336,0.73,1.0,0.8588256459461312,0.884980467411418,0.8581745596600644,0.8969313275306696,0.8747280001370709
EOS-2-08725,Clc1cccc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ccn2)c1,BGPWVXCKAHVAQT-UHFFFAOYSA-N,2,1,0.536,97,183,454.342,5.801,5,0.336,0.77,1.0,0.7566565005825509,0.752373038174217,0.8818021383044342,0.9188712219861559,0.8274257247618395
EOS-2-08726,Fc1cnc(COc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)nc1-c1cncnc1,KYXUIYYKQKXAAW-UHFFFAOYSA-N,2,1,0.424,73,756,454.347,3.174,5,0.295,0.59,1.0,0.7969124802960729,0.8771245973545336,0.7937512850387225,0.7911126721951888,0.8147252587211294
EOS-2-08727,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)nn1,HCKNHGVCZHXOTB-UHFFFAOYSA-N,2,1,0.424,54,511,454.347,3.174,5,0.295,0.53,0.963,0.7113803029264615,0.6867332602289082,0.8712219861558494,0.8654393119045988,0.7836937153039546
EOS-2-08728,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(F)c5)nn4)n23)c(F)c1,CSHQPXGREATTJB-UHFFFAOYSA-N,2,1,0.419,54,411,454.347,3.174,5,0.295,0.65,0.165,0.6103933931875813,0.6330529093276678,0.7740901925844699,0.7865208004934549,0.7010143238982935
EOS-2-08729,Cc1onnc1-c1cnc(COc2cncc3nnc(-c4ncc(OC(F)F)cn4)n23)nc1,XOJOTOPWWPCPOM-UHFFFAOYSA-N,2,1,0.402,51,48,454.357,1.91,5,0.353,0.6,0.939,0.515189157699952,0.43507127681447466,0.13295010622986772,0.11456548557329861,0.2994440065793983
EOS-2-08730,Fc1ccc(-c2ccc(F)c(-c3nnc4cncc(Oc5cccc(F)c5F)n34)c2)cc1F,LNYHWJZCNJIDMJ-UHFFFAOYSA-N,2,1,0.464,57,236,454.358,5.946,5,0.315,0.81,1.0,0.9219210472208896,0.947493317798643,0.9954680967719828,0.9983123158111165,0.965798694400658
EOS-2-08731,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)c(F)c5)c4)n23)c(F)c1,NOZXBEJNSLRPDI-UHFFFAOYSA-N,2,1,0.5,57,236,454.358,5.946,5,0.315,0.76,1.0,0.9548094715920773,0.9751730518812967,0.9958107737646494,0.9985950243300665,0.9810970803920225
EOS-2-08732,Fc1cccc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(F)cc5F)n34)c(F)c2)c1,IYFRQOIUOLGRPW-UHFFFAOYSA-N,2,1,0.494,57,236,454.358,5.946,5,0.315,0.73,1.0,0.9493951751079432,0.9706154478788294,0.9937290110341992,0.9972500171338496,0.9777474127887054
EOS-2-08733,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)nn2)cc1,JFJSEMNVCHJABF-UHFFFAOYSA-N,2,1,0.373,45,574,454.362,5.212,5,0.35,0.82,1.0,0.47035844013432937,0.7436005071619491,0.9943458296209993,0.9931978616955658,0.800375659653211
EOS-2-08734,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)cn2)ccn1,ARQOGYSKKIZBBR-UHFFFAOYSA-N,2,1,0.329,96,315,454.362,5.212,5,0.277,0.78,1.0,0.4854105270372147,0.7203327393598794,0.9960420807346995,0.9933263655678157,0.7987779281749023
EOS-2-08735,Fc1cc(-c2cccnc2F)ncc1-c1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,PQXKRWFHFSUYBR-UHFFFAOYSA-N,2,1,0.354,96,315,454.362,5.212,5,0.277,0.77,1.0,0.4583647453909944,0.7203413062846961,0.9953138921252828,0.9933349324926325,0.7918387190734014
EOS-2-08736,Fc1cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)c2)ccn1,LTYXZTCEHBWTRW-UHFFFAOYSA-N,2,1,0.326,96,315,454.362,5.212,5,0.277,0.73,1.0,0.4539270783359605,0.7111575628812281,0.9969416078404496,0.9955109313960661,0.7893842951134261
EOS-2-08737,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,QJXHJDRDPMFFEN-UHFFFAOYSA-N,2,1,0.603,1,431,454.368,4.319,5,0.374,0.7,1.0,0.9586560208347612,0.8600335823452814,0.9650383798231786,0.910021588650538,0.9234373929134398
EOS-2-08738,CCOc1ncc(-c2nc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ccc2F)o1,WFXNVPRAEYAUON-UHFFFAOYSA-N,2,1,0.4,13,971,454.368,4.45,5,0.371,0.64,1.0,0.6475824138167363,0.667115002398739,0.6949061065040093,0.6469741621547529,0.6641444212185593
EOS-2-08739,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)no2)c1,VGDSXAJBTGVQBR-UHFFFAOYSA-N,2,1,0.627,1,679,454.368,4.161,5,0.361,0.79,1.0,0.8130182989514084,0.8475001713384963,0.8218764992118429,0.8045284764580906,0.8217308614899596
EOS-2-08740,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)o5)n34)cc2)n[nH]1,GSFKCCKZJYABHR-UHFFFAOYSA-N,2,1,0.511,1,22,454.368,3.732,5,0.431,0.62,1.0,0.9219296141457063,0.7064971557809608,0.9465852237680762,0.862312384346515,0.8593310945103145
EOS-2-08741,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)o2)cn1,KZEHLBVORWWPIH-UHFFFAOYSA-N,2,1,0.638,97,996,454.368,4.161,5,0.338,0.69,1.0,0.95025186758961,0.9371958741690083,0.8887242135563018,0.8334589815639778,0.9024077342197245
EOS-2-08742,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)o2)cc1,IEYIRDUWICJLIJ-UHFFFAOYSA-N,2,1,0.662,1,372,454.368,4.161,5,0.361,0.78,1.0,0.8407323007333287,0.939937290110342,0.8440819683366458,0.8233328764306764,0.8620211089027483
EOS-2-08743,Fc1cc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,YEHKPBRWNKCPQO-UHFFFAOYSA-N,2,1,0.684,43,431,454.368,4.161,5,0.361,0.72,1.0,0.9732197930230965,0.9485641834007265,0.9373672126653416,0.9018830100747036,0.940258549790967
EOS-2-08744,Fc1cccc(-c2noc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)c1,GJCVOYGQLXWSGO-UHFFFAOYSA-N,2,1,0.634,1,996,454.368,4.161,5,0.361,0.8,1.0,0.7538122815434172,0.8687804125830991,0.8218850661366596,0.8045370433829073,0.8122537009115208
EOS-2-08745,Cn1nnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(F)c1,STRNJCXLPDFWNU-UHFFFAOYSA-N,2,1,0.676,61,941,454.372,3.515,5,0.384,0.79,1.0,0.5963093687889796,0.8568381193886643,0.7874888629977383,0.7601089712836681,0.7501863306147626
EOS-2-08746,Fc1ccn(-c2nccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)n1,FVCHSSZFWHGNJL-UHFFFAOYSA-N,2,1,0.651,27,996,454.372,3.087,5,0.37,0.57,1.0,0.4191110958810225,0.609605236104448,0.6624888629977383,0.6055702145157974,0.5741938523747515
EOS-2-08747,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)c4)n23)cc1,SVUYLQALYLSUKH-UHFFFAOYSA-N,2,1,0.625,43,431,454.372,3.449,5,0.415,0.8,1.0,0.8965629497635529,0.8072698923994243,0.9308477828798575,0.8639143992872319,0.8746487560825167
EOS-2-08748,CCOc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cnc(C(F)(F)F)nc3)n12,CYZVJFBKMMYHFA-UHFFFAOYSA-N,2,1,0.36,50,478,454.372,3.716,5,0.392,0.53,0.991,0.6187975464327325,0.5907665684325955,0.7387687615653485,0.5126447810294017,0.6152444143650195
EOS-2-08749,Fc1cccnc1-n1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,PYZVXLPCORKGOL-UHFFFAOYSA-N,2,1,0.586,27,996,454.372,3.087,5,0.37,0.74,1.0,0.5286563635117538,0.6966194914673429,0.6067438832156808,0.5936707559454458,0.6064226235350558
EOS-2-08750,Fc1ccc(-n2ncnc2COc2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)cc1,XOBMRFDHBICHKQ-UHFFFAOYSA-N,2,1,0.457,27,612,454.372,3.087,5,0.37,0.72,0.999,0.44213898978822563,0.5424405455417723,0.6814303337673908,0.6499554519909533,0.5789913302720855
EOS-2-08751,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)c(F)c5)n34)nn2)no1,ICBXMLBGZOLEID-UHFFFAOYSA-N,2,1,0.484,27,52,454.372,3.595,5,0.379,0.64,1.0,0.6161417997395655,0.6330614762524844,0.5971317935713796,0.542937427181139,0.5973181241861422
EOS-2-08752,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(C(F)(F)F)cn5)n34)cn2)o1,WQBVCCADUMCUEC-UHFFFAOYSA-N,2,1,0.444,51,69,454.372,3.538,5,0.393,0.7,1.0,0.6961911452265095,0.7158179699814955,0.7960300870399561,0.615019532588582,0.7057646837091357
EOS-2-08753,Cc1nc(-c2ccc(COc3cncc4nnc(-c5cc(F)cc(C(F)F)c5)n34)nn2)no1,ZZMXLUYTMCXMGA-UHFFFAOYSA-N,2,1,0.511,27,52,454.372,3.595,5,0.379,0.67,1.0,0.48541909396203137,0.6144112809265986,0.5810516756904941,0.5459015831677061,0.5566959084367076
EOS-2-08754,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)nn2)cn1,CGISTNRSWWRQJF-UHFFFAOYSA-N,2,1,0.531,72,706,454.372,3.673,5,0.396,0.79,1.0,0.6629514769378384,0.7523816050990336,0.9060208347611541,0.7911212391200055,0.7781187889795079
EOS-2-08755,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnn(CC(F)F)c5)nn4)n23)nc1,UOOBVCVGAWFIQG-UHFFFAOYSA-N,2,1,0.344,53,924,454.376,2.218,5,0.364,0.64,0.998,0.37225001713384964,0.36000788157083136,0.3115276540333082,0.29729799191282297,0.33527088616270306
EOS-2-08756,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)nc1,FNHMZNCGNNULPY-UHFFFAOYSA-N,2,1,0.568,27,728,454.376,2.37,5,0.394,0.6,1.0,0.5103060105544514,0.5703430196696594,0.6095881022548146,0.4398259200877253,0.5325157631416627
EOS-2-08757,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnnn5C(F)F)cn4)n23)cn1,PELQLMCIFJXLLU-UHFFFAOYSA-N,2,1,0.427,31,773,454.376,2.391,5,0.341,0.65,1.0,0.5540829963676239,0.4921441299431156,0.337142759235145,0.3284301966965938,0.4279500205606196
EOS-2-08758,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)c1,MBBRVFIIABQECI-UHFFFAOYSA-N,2,1,0.533,36,728,454.376,2.428,5,0.356,0.64,1.0,0.43068501130834075,0.5614077170858749,0.3972654375985196,0.3478771160304297,0.4343088205057912
EOS-2-08759,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)nc2)nn1,KMIUVCQKBWIQLQ-UHFFFAOYSA-N,2,1,0.402,51,946,454.376,2.428,5,0.356,0.64,1.0,0.39918442875745325,0.542449112466589,0.4147847988486053,0.3318569666232609,0.4220688266739771
EOS-2-08760,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5cccc(-c6cncnn6)n5)n34)no2)nc1,FOSDZFHNQZQIJC-UHFFFAOYSA-N,2,1,0.295,6,318,454.385,3.02,6,0.379,0.6,1.0,0.5732814748817764,0.37912925776163386,0.23522205469124802,0.24652182852443286,0.35853865396477275
EOS-2-08761,O=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(F)nc6)nc5)n34)cn2)o1,HMUUPPWYHCIJAZ-UHFFFAOYSA-N,2,1,0.303,42,106,454.385,2.188,6,0.392,0.6,0.999,0.3839610033582345,0.3791378246864506,0.2138561441984785,0.2259697758892468,0.3007311870331026
EOS-2-08762,Fc1cccc(-n2nccc2COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,XQFBBVLJIMWWLF-UHFFFAOYSA-N,2,1,0.506,1,138,454.387,4.714,5,0.36,0.72,1.0,0.6535535604139538,0.7389229662120486,0.9853077239394147,0.9697587553971626,0.8368857514906449
EOS-2-08763,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)c1F,VLVUDANSGUCUDM-UHFFFAOYSA-N,2,1,0.554,43,178,454.387,4.907,5,0.341,0.68,1.0,0.7771143170447536,0.8370742238366116,0.9782914125145638,0.9657751353574121,0.8895637721883353
EOS-2-08764,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)(F)F)c5)cc4)n23)c1,CBMJAXHKZIPUCW-UHFFFAOYSA-N,2,1,0.628,43,322,454.387,4.849,5,0.355,0.73,1.0,0.7510280309780001,0.8303149201562607,0.9870553766020149,0.9672058118017957,0.8839010348845178
EOS-2-08765,Fc1ccc(-c2nn(C(F)F)cc2-c2nnc3cncc(OCc4ccccc4F)n23)cc1,NOJJUJGOITUBTA-UHFFFAOYSA-N,2,1,0.542,43,146,454.387,4.907,5,0.341,0.75,1.0,0.6188061133575492,0.6720581180179562,0.9465937906928928,0.9438181070522925,0.7953190322801728
EOS-2-08766,Fc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)c4)cc3)n12,PJQGJFGJYQLQKG-UHFFFAOYSA-N,2,1,0.543,43,623,454.387,4.907,5,0.341,0.64,1.0,0.7713059420190529,0.8149544239599753,0.9745648002193132,0.9624426016037283,0.8808169419505175
EOS-2-08767,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)cc4)n23)c1F,VMDKTCWILBPUNC-UHFFFAOYSA-N,2,1,0.529,43,178,454.387,4.907,5,0.341,0.68,1.0,0.9563429511342608,0.8656363511753821,0.982309300253581,0.972740045233363,0.9442571619491467
EOS-2-08768,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C(F)F)c5)cc4F)n23)cc1,YMJRMDWLNKNNDC-UHFFFAOYSA-N,2,1,0.62,43,623,454.387,4.907,5,0.341,0.75,1.0,0.815425604824892,0.8687889795079159,0.9782999794393804,0.9692190391337125,0.9079334007264752
EOS-2-08769,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)c(F)c2)cn1,HUVVTOKBNZRYOE-UHFFFAOYSA-N,2,1,0.512,59,623,454.387,4.327,5,0.292,0.74,1.0,0.6721609211157563,0.7607172229456515,0.9753443903776301,0.9652097183195121,0.8433580631896375
EOS-2-08770,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C(F)F)c5)cc4)n23)cc1F,WMLGRBGTBSYHBV-UHFFFAOYSA-N,2,1,0.615,43,623,454.387,4.907,5,0.341,0.7,1.0,0.7912154752929889,0.8656449181001987,0.9797649235830307,0.9677026934411623,0.9010820026043451
EOS-2-08771,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)cc1F,OTDDRLKJZATUQQ-UHFFFAOYSA-N,2,1,0.726,43,96,454.387,4.907,5,0.341,0.7,1.0,0.8545421835377973,0.8849890343362347,0.9800304982523473,0.967711260365979,0.9218182441230895
EOS-2-08772,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)c(F)c1,NFIKMWDWWLRXMR-UHFFFAOYSA-N,2,1,0.57,88,273,454.387,4.359,5,0.386,0.62,1.0,0.9586645877595779,0.9357309300253581,0.9564543211568776,0.9543297238023439,0.9512948906860393
EOS-2-08773,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)c1,JPQVCVGMSSFEKM-UHFFFAOYSA-N,2,1,0.561,43,623,454.387,4.907,5,0.341,0.68,1.0,0.7566650675073675,0.8187067370296758,0.9776831608525803,0.9666917963127956,0.8799366904256049
EOS-2-08774,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cc3)n12,KIHWSBVCKDGVHR-UHFFFAOYSA-N,2,1,0.556,43,138,454.387,4.714,5,0.36,0.8,1.0,0.6132718799259818,0.7065057227057775,0.9908076896717154,0.9773661846343636,0.8219878692344597
EOS-2-08775,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C(F)F)c5)cc4)n23)c(F)c1,GFNQVUZBYOJCDH-UHFFFAOYSA-N,2,1,0.562,43,623,454.387,4.907,5,0.341,0.7,1.0,0.7144729627852786,0.8337502570077445,0.9756270988965801,0.9636676718525118,0.8718794976355287
EOS-2-08776,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnn(C(F)F)c5)c4)n23)cc1F,KSSTVSCCNJGOHJ-UHFFFAOYSA-N,2,1,0.585,43,623,454.387,4.907,5,0.341,0.7,1.0,0.7856983757110547,0.8507213350695634,0.9783085463641971,0.9672143787266123,0.8954856589678568
EOS-2-08777,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)ccc2F)cn1,FMDPKKTVNIYIIL-UHFFFAOYSA-N,2,1,0.549,59,623,454.387,4.327,5,0.292,0.67,1.0,0.7628075526009184,0.7523901720238503,0.9745733671441299,0.9647299705297786,0.8636252655746692
EOS-2-08778,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1F,FRLACVNSXMBWLT-UHFFFAOYSA-N,2,1,0.541,59,607,454.387,4.327,5,0.292,0.67,1.0,0.8895637721883353,0.8072784593242409,0.9741621547529299,0.9647385374545953,0.9089357309300253
EOS-2-08779,Fc1cc(Oc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cnc1-c1nccnn1,URNNWPQBZXOMEV-UHFFFAOYSA-N,2,1,0.419,56,893,454.389,2.15,6,0.407,0.61,1.0,0.6327787677335344,0.6192173257487492,0.17353162908642314,0.19425502021794258,0.4049456856966623
EOS-2-08780,COc1nc(-c2nnc3cncc(OCCc4cnn(C(F)F)c4)n23)ccc1-c1ncco1,HVVLDBVPUAILQR-UHFFFAOYSA-N,2,1,0.436,49,501,454.397,3.063,5,0.348,0.53,1.0,0.49024227263381537,0.3011531080803235,0.31534850250154206,0.18591083544650813,0.32316367966554727
EOS-2-08781,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cn2)cc1F,VMPSMISIYSEKDN-UHFFFAOYSA-N,2,1,0.305,32,572,454.4,4.244,6,0.389,0.7,1.0,0.3722585840586663,0.4523593310945103,0.7535295730244671,0.767690699746419,0.5864595469810157
EOS-2-08782,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3ccc(-c4cccnc4F)cn3)n12,YRRIFKUVFLKVOS-UHFFFAOYSA-N,2,1,0.346,32,572,454.4,4.244,6,0.364,0.63,1.0,0.36304057295593173,0.44818723870879307,0.7512507710232335,0.754797477897334,0.5793190151463231
EOS-2-08783,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6conn6)cc5)n34)cn2)cc1F,HJXKVMGGVWLZQD-UHFFFAOYSA-N,2,1,0.316,38,787,454.4,4.244,6,0.389,0.66,1.0,0.3154341717497087,0.33552361044479473,0.7856469741621548,0.7842591323418545,0.5552159721746281
EOS-2-08784,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)c1,SVNDHIFZZZZZFG-UHFFFAOYSA-N,2,1,0.329,64,27,454.4,4.244,6,0.389,0.65,1.0,0.29181516003015556,0.35510760057569735,0.6329586731546843,0.7099924611061613,0.4974684737166747
EOS-2-08785,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5F)n34)o2)cc1,BHVIHVXDBJRJDE-UHFFFAOYSA-N,2,1,0.351,3,641,454.4,4.244,6,0.389,0.78,1.0,0.33046055787814405,0.5379514769378384,0.6482677678020697,0.7180539373586458,0.5586834349941745
EOS-2-08786,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c(F)cc1-c1nnco1,DTNGSUMHZVVAJW-UHFFFAOYSA-N,2,1,0.36,3,192,454.4,4.244,6,0.389,0.72,1.0,0.34482729079569596,0.452367898019327,0.7387773284901652,0.7340912206154478,0.567515934480159
EOS-2-08787,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)no2)cc1F,NOGUAVORHGBMDM-UHFFFAOYSA-N,2,1,0.325,42,171,454.4,4.244,6,0.389,0.8,1.0,0.2947107806181893,0.430265231992324,0.7210266602700295,0.7601175382084847,0.5515300527722569
EOS-2-08788,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cn5)n34)o2)cc1,JKYHWRATABNYTB-UHFFFAOYSA-N,2,1,0.329,3,641,454.4,4.244,6,0.364,0.78,0.999,0.2517219518881502,0.37436604756356656,0.6329672400795011,0.6933383592625592,0.48809839969844426
EOS-2-08789,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)cn6)o5)n34)cc2)nc1,KCOSXFUZIXCLHE-UHFFFAOYSA-N,2,1,0.356,3,641,454.4,4.244,6,0.389,0.75,1.0,0.33046912480296076,0.46130320060311153,0.5749862929202934,0.6439757384689192,0.5026835891988212
EOS-2-08790,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)o2)cc1F,DJEQOHHVQOOUJK-UHFFFAOYSA-N,2,1,0.346,3,641,454.4,4.244,6,0.389,0.75,1.0,0.36546501267904874,0.487595092865465,0.6361113014872182,0.6669436639024056,0.5390287677335344
EOS-2-08791,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccno6)c(F)c5)n34)cn2)ccn1,LALLESJJUZUOAB-UHFFFAOYSA-N,2,1,0.35,42,72,454.4,4.244,6,0.364,0.58,1.0,0.3304776917277774,0.37914639161126723,0.7720512644781029,0.7772685216914537,0.5647359673771504
EOS-2-08792,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)c6)o5)n34)nc2)nc1,PPQZLFUNKATBBU-UHFFFAOYSA-N,2,1,0.321,32,541,454.4,4.244,6,0.389,0.7,0.999,0.22706634226578026,0.355116167500514,0.5649972585840587,0.6439843053937359,0.4477910184360222
EOS-2-08793,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnco6)cc5F)n34)cc2)c1,AUCAYRASTXDQPN-UHFFFAOYSA-N,2,1,0.309,42,572,454.4,4.244,6,0.389,0.7,1.0,0.35382256185319716,0.43930333767390856,0.7154581591391954,0.7548060448221506,0.565847525872113
EOS-2-08794,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,PSBMTMBMQYDCHF-UHFFFAOYSA-N,2,1,0.614,36,728,454.401,1.896,5,0.363,0.71,1.0,0.40545541772325405,0.5519498320882736,0.21049790967034473,0.2058032348708108,0.3434265985881708
EOS-2-08795,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnn(COC(F)F)n5)n34)cc2)n1,IGCBHVAGMXBHJN-UHFFFAOYSA-N,2,1,0.427,36,404,454.401,1.954,5,0.346,0.64,0.959,0.29983380165855666,0.4256990610650401,0.1735401960112398,0.16959084367075594,0.2671659756013981
EOS-2-08796,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nnn(COC(F)F)n4)n23)cc1,QOUWADWQHPWRDI-UHFFFAOYSA-N,2,1,0.442,36,404,454.401,1.954,5,0.346,0.64,0.946,0.3586114728257145,0.39802789390720306,0.19992632444657665,0.19693646768555959,0.28837553971626345
EOS-2-08797,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cc1,QFHSDMWADYVULI-UHFFFAOYSA-N,2,1,0.302,39,972,454.404,3.169,6,0.374,0.62,1.0,0.012559111781235009,0.13132239051470085,0.41479336577342196,0.522385374545953,0.2702650606538277
EOS-2-08798,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncc(F)cn6)nn5)n34)cn2)cc1,FZQUOMROCBXXJL-UHFFFAOYSA-N,2,1,0.325,10,618,454.404,3.169,6,0.399,0.67,1.0,0.026908710849153587,0.18199575080529093,0.38241895689123434,0.49258104310876566,0.2709761154136111
EOS-2-08799,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)n2)cn1,LEPQICRYOOLZBO-UHFFFAOYSA-N,2,1,0.309,42,7,454.404,3.374,6,0.318,0.62,1.0,0.32524330066479334,0.36460832019738193,0.5281509149475704,0.5329483928449044,0.4377377321636625
EOS-2-08800,Fc1cccc(-c2ccc(F)c(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)c2)n1,YNFJNINFVOSGRD-UHFFFAOYSA-N,2,1,0.322,10,693,454.404,3.374,6,0.402,0.63,1.0,0.2595092865465013,0.3931019121376191,0.5779761496813104,0.6353745459529847,0.4664904735796038
EOS-2-08801,Fc1ccc(-n2nncc2-c2cncc3nnc(-c4cncnc4-c4ccc(F)cn4)n23)cc1,MRPJFANXAVYZDH-UHFFFAOYSA-N,2,1,0.308,10,872,454.404,3.169,6,0.399,0.63,0.683,0.03533856486875471,0.1537934343088205,0.4516911109588102,0.5687581385785758,0.3023953121787403
EOS-2-08802,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(F)c6)n5)n34)nc2)nc1,VLZJZEKWFNKWPZ-UHFFFAOYSA-N,2,1,0.314,10,952,454.404,3.169,6,0.399,0.68,0.988,0.016551298745802207,0.1820043177301076,0.3445017476526626,0.4715235419093962,0.25364522650949217
EOS-2-08803,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)n6)nn5)n34)nc2)nc1,JSDGKDRBKDSTAA-UHFFFAOYSA-N,2,1,0.275,10,37,454.404,3.169,6,0.374,0.63,0.999,0.019369817010485915,0.11453121787403193,0.4148019326982386,0.48654992803783154,0.258813223905147
EOS-2-08804,Fc1cc(-c2cnccn2)ncc1-c1nnc2cncc(-c3cn(-c4ccccc4F)nn3)n12,DRQHGIMRWHVLTC-UHFFFAOYSA-N,2,1,0.291,10,872,454.404,3.169,6,0.399,0.69,0.997,0.014897882256185319,0.16137516277157152,0.46939037763004593,0.5557621136316908,0.3003563840723734
EOS-2-08805,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)c1F,ISCJHFIUHFMYKY-UHFFFAOYSA-N,2,1,0.283,10,618,454.404,3.169,6,0.399,0.55,0.993,0.007084846823384278,0.13859570968405183,0.3635888561441985,0.46224556233294495,0.24287874374614488
EOS-2-08806,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cc1F,DVIKWQPRBCJRML-UHFFFAOYSA-N,2,1,0.324,3,973,454.404,3.169,6,0.399,0.71,1.0,0.05689294770749092,0.2549174148447673,0.534815982454938,0.6235607566307998,0.367546775409499
EOS-2-08807,Fc1cc(F)cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)c1,OJZORLFKZYEYHE-UHFFFAOYSA-N,2,1,0.329,3,973,454.404,3.169,6,0.399,0.7,1.0,0.05009937632787335,0.2140446165444452,0.4334606949489411,0.5429459941059557,0.31013767048180385
EOS-2-08808,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnco6)n5)n34)cn2)o1,CDBGYJJPBHLURQ-UHFFFAOYSA-N,2,1,0.388,80,843,454.41,2.569,6,0.363,0.63,1.0,0.3377167431978617,0.2243249263244466,0.06771297375094236,0.04840312521417312,0.16953944212185593
EOS-2-08809,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)no1,ISGUBFDIDIGOFL-UHFFFAOYSA-N,2,1,0.466,56,8,454.41,2.569,6,0.363,0.61,1.0,0.38842437118771844,0.3355321773696114,0.03777157151668837,0.03694914673428826,0.19966931670207663
EOS-2-08810,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cn2)o1,VDLFKEXAQUQTDN-UHFFFAOYSA-N,2,1,0.413,80,843,454.41,2.569,6,0.363,0.65,1.0,0.3839695702830512,0.254925981769584,0.08307346994722774,0.05502535809745734,0.19424859502433006
EOS-2-08811,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cn2)n1,GEJXJPLDRKFBEJ-UHFFFAOYSA-N,2,1,0.506,80,34,454.41,2.569,6,0.363,0.65,1.0,0.5078730039065177,0.2858525803577548,0.06987183880474265,0.04841169213898979,0.22800227880200125
EOS-2-08812,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ncccn5)no4)n23)cc1,BHBDXXJZVYTFGB-UHFFFAOYSA-N,2,1,0.441,89,770,454.41,1.464,5,0.353,0.77,1.0,0.41445068878075525,0.27028647796586935,0.04514769378383935,0.024141594133369887,0.18850661366595847
EOS-2-08813,c1cc(-c2cncc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)n2)on1,WFYBORWGXSTASV-UHFFFAOYSA-N,2,1,0.411,80,843,454.41,2.303,6,0.347,0.59,0.979,0.3448358577205126,0.157494345829621,0.06559694332122541,0.060979370845041465,0.15722662942910012
EOS-2-08814,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)no1,MQYKLODVSVOXBJ-UHFFFAOYSA-N,2,1,0.456,56,8,454.41,2.569,6,0.363,0.64,1.0,0.4606349804674114,0.2911983414433555,0.06772154067575903,0.049748132410389966,0.21732574874922897
EOS-2-08815,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)n1,RJDSBZPMNBUBAK-UHFFFAOYSA-N,2,1,0.462,71,614,454.414,1.401,6,0.356,0.55,1.0,0.37701322733191694,0.18201288465492427,0.031183606332670824,0.022539579192653005,0.15318732437804125
EOS-2-08816,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5noc(-c6ncccn6)n5)n34)c2)n[nH]1,KZSPNRHVWLFUEG-UHFFFAOYSA-N,2,1,0.35,80,131,454.414,1.699,6,0.386,0.61,1.0,0.38621410458501815,0.29120690836817215,0.011051333013501474,0.006339524364334178,0.1737029675827565
EOS-2-08817,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)nn4)n23)nc1,PUPLEHLSHGVPTE-UHFFFAOYSA-N,2,1,0.406,99,826,454.414,1.401,6,0.356,0.59,1.0,0.2918237269549722,0.14592899732711945,0.021477280515386197,0.01880439997258584,0.11950860119251593
EOS-2-08818,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncon5)n4)n23)cn1,IGMWSCVHYLBBRW-UHFFFAOYSA-N,2,1,0.443,80,843,454.414,1.401,6,0.356,0.67,1.0,0.28905661023918855,0.20431258995271057,0.01806764443835241,0.014161126721951888,0.13139949283805086
EOS-2-08819,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6c[nH]cn6)cn5)n34)nn2)no1,HQWRDLGPMOCQPM-UHFFFAOYSA-N,2,1,0.364,7,828,454.414,1.699,6,0.386,0.57,0.873,0.35383112877801387,0.24982009457885,0.013201631142485093,0.009629223493934616,0.15662051949832087
EOS-2-08820,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)cn1,WOOHXYFRESKKII-UHFFFAOYSA-N,2,1,0.457,99,502,454.414,1.401,6,0.356,0.65,1.0,0.3202573504214927,0.16527311356315538,0.03006133918168734,0.024150161058186553,0.1349354910561305
EOS-2-08821,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nnco6)n5)n34)cc2)n1,KJECFFHDIDBIRC-UHFFFAOYSA-N,2,1,0.441,71,614,454.414,1.401,6,0.356,0.61,1.0,0.3630491398807484,0.16138372969638817,0.028947638955520525,0.021759989034336236,0.14378512439174834
EOS-2-08822,Cn1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)n1,HIHXGRCAFTYESC-UHFFFAOYSA-N,2,1,0.427,56,614,454.418,0.531,6,0.37,0.66,1.0,0.37469159070659996,0.24491981358371598,0.013732780481118497,0.009997601261051333,0.16083544650812143
EOS-2-08823,COc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ocnc3-c3ccc(F)cc3)n12,PHXXJKSMBBSXMS-UHFFFAOYSA-N,2,1,0.345,69,299,454.421,4.916,6,0.362,0.73,1.0,0.5787643067644438,0.533265369063121,0.705254951682544,0.6641080117880885,0.6203481598245493
EOS-2-08824,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)c(F)c3)n12,SSALHXQAMSTCIS-UHFFFAOYSA-N,2,1,0.322,3,923,454.421,4.916,6,0.362,0.62,1.0,0.6504694674799534,0.5287591666095538,0.7811836063326708,0.7128024124460284,0.6683036632170516
EOS-2-08825,Fc1cnccc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)on1,LVKVKVWXMINIFC-UHFFFAOYSA-N,2,1,0.494,40,120,454.421,4.819,6,0.353,0.66,1.0,0.887713316427935,0.7065142896305942,0.7180882050579124,0.6875471180864917,0.7499657323007333
EOS-2-08826,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)no2)cc1,PZKFFTUFONMXAF-UHFFFAOYSA-N,2,1,0.518,77,427,454.421,4.819,6,0.353,0.77,1.0,0.7021622918237269,0.672066684942773,0.5843242409704612,0.6023404838599137,0.6402234253992187
EOS-2-08827,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)cc1,PKQVTFIBCTWAKK-UHFFFAOYSA-N,2,1,0.679,72,996,454.422,3.28,5,0.365,0.74,1.0,0.41911966280583923,0.5807004317730108,0.5483859913645398,0.5126533479542184,0.5152148584744021
EOS-2-08828,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncc(-c5cscn5)cn4)n23)nc1,ARTMYDWSMWZIMO-UHFFFAOYSA-N,2,1,0.422,51,48,454.422,3.28,5,0.365,0.69,1.0,0.610401960112398,0.6378589541498184,0.5037437461448838,0.42757521759989037,0.5448949695017475
EOS-2-08829,FC(F)Oc1cnc(COc2cncc3nnc(-c4ccc(-c5ncsn5)cc4)n23)nc1,IDIFWFLVSYSIJT-UHFFFAOYSA-N,2,1,0.571,51,19,454.422,3.28,5,0.365,0.62,1.0,0.7566736344321843,0.7248903433623467,0.5107429237201014,0.43390617503940787,0.60655326913851
EOS-2-08830,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1-c1nnco1,KMYGRLVCBWJELI-UHFFFAOYSA-N,2,1,0.534,77,763,454.425,3.95,6,0.402,0.62,1.0,0.9108097457336715,0.7567935713796176,0.6761017065314234,0.6291892262353506,0.7432235624700159
EOS-2-08831,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nnc(C)o6)c(F)c5)n34)c2)o1,JCGRAWNFIIOLEG-UHFFFAOYSA-N,2,1,0.368,3,598,454.425,4.314,6,0.383,0.67,1.0,0.34484442464532933,0.4302737989171407,0.34451031457747927,0.3350866972791447,0.3636788088547735
EOS-2-08832,COc1cc(COc2cncc3nnc(-c4cc(-c5cc(F)c(C#N)cn5)ccn4)n23)ccn1,IQUMHGMLUBLOND-UHFFFAOYSA-N,2,1,0.4,46,181,454.425,3.242,5,0.38,0.68,1.0,0.6564234802275375,0.595367007059146,0.694914673428826,0.562178740319375,0.6272209752587211
EOS-2-08833,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nnc(C)o6)cc5F)n34)c2)o1,XZDMMGKLNIEWQH-UHFFFAOYSA-N,2,1,0.389,3,598,454.425,4.314,6,0.383,0.68,1.0,0.33772531012267837,0.4257076279898568,0.3445188815022959,0.3318655335480776,0.35995433829072715
EOS-2-08834,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ccncc5)o4)n23)ccc1-c1cc[nH]n1,VEBITPABSZVCLF-UHFFFAOYSA-N,2,1,0.457,97,763,454.425,3.95,6,0.402,0.57,1.0,0.8476800767596464,0.6817730107600576,0.590646631485162,0.5390566102391885,0.6647890823110136
EOS-2-08835,COc1ncccc1-c1cnc(COc2cncc3nnc(-c4ccc(F)c(C#N)c4)n23)cn1,PXRJYSXJPDRALE-UHFFFAOYSA-N,2,1,0.5,4,401,454.425,3.242,5,0.38,0.62,1.0,0.7238880131587965,0.7695497224316359,0.6270046604071002,0.5058512096497841,0.6565734014118291
EOS-2-08836,COc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)o5)n34)nn2)n1,AMNLDPGAVPECHC-UHFFFAOYSA-N,2,1,0.306,10,783,454.425,3.842,6,0.387,0.68,0.999,0.12174456856966623,0.2092043040230279,0.4185285449934891,0.41785175793297236,0.29183229387978893
EOS-2-08837,Cn1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5)n34)ccc2F)n1,YAAICPIRXBPLDB-UHFFFAOYSA-N,2,1,0.5,77,722,454.425,4.173,6,0.382,0.69,1.0,0.5678329106983757,0.6046878212596807,0.6270132273319169,0.5654341717497087,0.5912420327599205
EOS-2-08838,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)ccc1-c1cnco1,LZOMCPSLDMTDTQ-UHFFFAOYSA-N,2,1,0.565,40,932,454.425,3.745,6,0.374,0.54,1.0,0.40340792269207043,0.412291823726955,0.6124237543691317,0.5490456445754232,0.49429228634089506
EOS-2-08839,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)no2)cc1,OBLDRQXDGCYVJE-UHFFFAOYSA-N,2,1,0.452,97,177,454.425,3.745,6,0.374,0.68,1.0,0.3074926324446577,0.20432115687752725,0.4932321293948324,0.4836714412994312,0.3721793400041121
EOS-2-08840,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)c(F)c4)n23)on1,ICRJNSUOTJPKPP-UHFFFAOYSA-N,2,1,0.44,67,722,454.425,4.173,6,0.382,0.61,1.0,0.5258721129463367,0.515086354602152,0.4371359056952916,0.47749468850661364,0.4888972654375985
EOS-2-08841,Cn1ccnc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c(F)c1,DRDDOTPSGBGUJE-UHFFFAOYSA-N,2,1,0.416,41,318,454.425,4.173,6,0.382,0.72,1.0,0.7656603385648687,0.6192258926735659,0.5211860050716195,0.43983448701254196,0.586476680830649
EOS-2-08842,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6noc(CF)n6)cn5)n34)cc2)o1,OBTIOALHQMRVPD-UHFFFAOYSA-N,2,1,0.314,38,303,454.425,4.336,6,0.374,0.63,1.0,0.2621650332396683,0.30625042834624083,0.26033171132890137,0.23795490370776506,0.2666755191556439
EOS-2-08843,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1-c1conn1,DFORNKKPFDCQDJ-UHFFFAOYSA-N,2,1,0.534,77,763,454.425,3.95,6,0.402,0.6,1.0,0.8286786375162771,0.6671235693235557,0.7128966486190117,0.6787831539990405,0.7218705023644711
EOS-2-08844,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)no2)cc1,VNBWIBAXAUNHEZ-UHFFFAOYSA-N,2,1,0.494,77,763,454.425,3.95,6,0.402,0.6,1.0,0.7449797820574326,0.6671321362483723,0.4586902885340278,0.47750325543143035,0.5870763655678158
EOS-2-08845,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1,PUIKMHGYTVWZNL-UHFFFAOYSA-N,2,1,0.467,67,611,454.429,2.875,6,0.407,0.62,1.0,0.44676512918922623,0.42571619491467344,0.3153570694263587,0.32843876362141045,0.37906928928791717
EOS-2-08846,Fc1cccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,HLZKCCULRORQRM-UHFFFAOYSA-N,2,1,0.438,67,611,454.429,2.875,6,0.407,0.63,1.0,0.482823315742581,0.4257247618394901,0.30046775409499005,0.31906654787197586,0.38202059488725926
EOS-2-08847,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)c(F)c2)no1,RSPITAPBCDYOEN-UHFFFAOYSA-N,2,1,0.325,98,314,454.429,3.146,6,0.395,0.72,1.0,0.2489891028716332,0.3456154478788294,0.1895689123432253,0.19977211979987664,0.24598639572339112
EOS-2-08848,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnnn6C)ccc5F)n34)cc2)o1,PQKSIZCDCZIKAG-UHFFFAOYSA-N,2,1,0.341,25,508,454.429,3.146,6,0.395,0.76,1.0,0.264855047632102,0.3791549585360839,0.22090672332259612,0.2557484065519841,0.28016628401069155
EOS-2-08849,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnn(C)c5-c5ccc(F)cc5)n34)nn2)o1,ZPDGEMQXUXDINN-UHFFFAOYSA-N,2,1,0.368,98,63,454.429,3.146,6,0.395,0.68,1.0,0.20217085874854362,0.340415324515112,0.13598279761496812,0.19154787197587553,0.2175292132136248
EOS-2-08850,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cn5)n34)o2)n1C,SEFZBDLBIHYQHC-UHFFFAOYSA-N,2,1,0.277,99,794,454.429,3.146,6,0.395,0.69,0.973,0.18266397094099102,0.20921287094784455,0.0830820368720444,0.09692618737577958,0.1429712665341649
EOS-2-08851,Cn1cc(-c2cnc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6)[nH]c5=O)n34)cn2)cn1,PHFLIVNFGUMYGM-UHFFFAOYSA-N,2,1,0.269,86,151,454.429,2.267,6,0.433,0.57,0.98,0.06963196490987596,0.1905455417723254,0.3445274484271126,0.38629977383318487,0.2477511822356247
EOS-2-08852,Cn1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cc2)n[nH]c1=O,RYSZMCDXEBTPIJ-UHFFFAOYSA-N,2,1,0.317,9,7,454.429,2.471,6,0.418,0.62,1.0,0.3538396957028305,0.33072613254746075,0.3004763210198067,0.34137482009457887,0.33160424234116925
EOS-2-08853,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)c5)n34)c(F)c2)o1,SBIMQMGDMQGSTM-UHFFFAOYSA-N,2,1,0.341,25,598,454.429,3.146,6,0.395,0.68,1.0,0.22977349050784732,0.3502244534301967,0.19993489137139334,0.22303132067712975,0.2507410389966418
EOS-2-08854,Fc1ccccc1-n1ncc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cn4)n23)n1,SWWUMUOZNHCWCL-UHFFFAOYSA-N,2,1,0.357,6,826,454.429,2.875,6,0.407,0.69,0.996,0.32265608937015966,0.37916352546090054,0.24586217531354945,0.27047495031183605,0.30453918511411143
EOS-2-08855,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(F)c1,CYJBQGYGMGTAQF-UHFFFAOYSA-N,2,1,0.461,67,789,454.429,3.303,6,0.421,0.66,1.0,0.5787728736892606,0.5753718045370434,0.4185371119183058,0.3863083407580015,0.48974753272565286
EOS-2-08856,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ncc5cc(F)ccc5n4)n23)cc1,CAPZLEZMTTWCPV-UHFFFAOYSA-N,2,1,0.468,56,447,454.429,2.643,6,0.387,0.65,1.0,0.6813018298951409,0.5860119251593447,0.19994345829621,0.24947741758618328,0.4291836577342198
EOS-2-08857,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)nn6)nc5)n34)c(F)c2)o1,YDOSHVAJBYQJMZ-UHFFFAOYSA-N,2,1,0.318,98,424,454.429,3.146,6,0.395,0.64,1.0,0.16317421698307175,0.26501781920361867,0.23885443081351518,0.23796347063258172,0.22625248440819684
EOS-2-08858,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)n5C)n34)c(F)c2)o1,CWEIGAMMPDYAHT-UHFFFAOYSA-N,2,1,0.337,8,474,454.429,3.146,6,0.395,0.68,1.0,0.1826725378658077,0.27550373517922006,0.10509903365088068,0.14622027277088617,0.17737389486669863
EOS-2-08859,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nn4)n23)ccc1-c1cc[nH]n1,KLXODQGKJOIIKA-UHFFFAOYSA-N,2,1,0.454,71,534,454.429,2.875,6,0.407,0.56,0.995,0.4191282297306559,0.45237646494414363,0.3560585292303475,0.35106401206223015,0.3946568089918443
EOS-2-08860,Cn1nc(-c2cccnn2)cc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)c(F)c3)n12,JANOIJWFPLORET-UHFFFAOYSA-N,2,1,0.356,67,622,454.429,3.303,6,0.421,0.59,1.0,0.5286649304365705,0.5473322596120896,0.3788893838667672,0.357386402576931,0.45306824412308955
EOS-2-08861,Fc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cc2)n[nH]1,OYLKHLMYCPLOTF-UHFFFAOYSA-N,2,1,0.506,56,425,454.429,2.875,6,0.407,0.59,1.0,0.470367007059146,0.3980364608320197,0.33715132615996163,0.2823572750325543,0.3719780172709204
EOS-2-08862,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nc[nH]n5)nc4)n23)ccc1-c1cc[nH]n1,PECQCAIGLSEOKY-UHFFFAOYSA-N,2,1,0.458,47,214,454.429,3.08,6,0.392,0.57,1.0,0.8052052635186073,0.6527996710300871,0.4727229113837297,0.4339147419642245,0.5911606469741622
EOS-2-08863,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)n2)cc1,XKCLFSBPMZSDIN-UHFFFAOYSA-N,2,1,0.4,6,807,454.429,2.875,6,0.407,0.59,1.0,0.35148379137824687,0.4302823658419574,0.28971626345007195,0.3069015146323076,0.34459598382564594
EOS-2-08864,Cc1nc(-c2cncc(F)n2)c(-c2nnc3cncc(-c4cccc(-c5nnco5)c4)n23)n1C,KURFKTBXUKRDST-UHFFFAOYSA-N,2,1,0.287,70,369,454.429,3.146,6,0.395,0.56,0.88,0.13313857857583442,0.1736944006579398,0.09728599821807964,0.13225618531971764,0.13409379069289287
EOS-2-08865,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc6ncccn56)n34)c(F)c2)nn1,JSPZONIFKRVRFG-UHFFFAOYSA-N,2,1,0.404,71,820,454.429,2.713,6,0.387,0.64,1.0,0.6048334589815639,0.5807089986978274,0.1573572750325543,0.1997806867246933,0.38567010485915976
EOS-2-08866,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5F)n34)cc2)o1,VWZAMBNAUNAHME-UHFFFAOYSA-N,2,1,0.321,25,745,454.429,3.146,6,0.395,0.69,1.0,0.2727537523130697,0.3885528750599685,0.2105064765951614,0.22597834281406345,0.27444786169556573
EOS-2-08867,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)c(F)c2)o1,VYHADMIYJZKTDB-UHFFFAOYSA-N,2,1,0.333,25,791,454.429,3.146,6,0.395,0.74,1.0,0.2132221917620451,0.3355407442944281,0.19638818449729284,0.2379720375573984,0.2457807895277911
EOS-2-08868,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)nc1,AMJBUEQPAUEBNT-UHFFFAOYSA-N,2,1,0.432,56,425,454.429,2.875,6,0.407,0.67,1.0,0.47810294016859706,0.3743746144883833,0.38978651223356864,0.3446302515249126,0.3967235796038654
EOS-2-08869,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)nc1,XSTOTJCNGWIZLE-UHFFFAOYSA-N,2,1,0.357,56,318,454.429,3.303,6,0.421,0.68,1.0,0.5385768624494551,0.5424576793914057,0.382427523816051,0.3222020423548763,0.4464160270029471
EOS-2-08870,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5F)n34)c2)nn1,TWDYPJJVMFSECE-UHFFFAOYSA-N,2,1,0.325,99,112,454.433,1.978,6,0.392,0.63,1.0,0.07160235761770954,0.20922143787266123,0.18957747926804194,0.2118600507161949,0.17056533136865193
EOS-2-08871,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5nnnn5C)c4)n23)c(F)c1,LTGBUVKPWNETHE-UHFFFAOYSA-N,2,1,0.304,99,765,454.433,1.978,6,0.392,0.67,1.0,0.1797683503529573,0.27029504489068606,0.12442601603728326,0.16678945925570557,0.18531971763415805
EOS-2-08872,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)nc5)n34)c(F)c2)n1,LSGWHQFWMQCAMR-UHFFFAOYSA-N,2,1,0.31,98,866,454.433,1.978,6,0.392,0.58,1.0,0.1577085189500377,0.28586114728257145,0.12443458296209993,0.14622883969570283,0.178558272222603
EOS-2-08873,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cc(F)cnn5)n4C)n23)cn1,WEQILUOORRYSOH-UHFFFAOYSA-N,2,1,0.307,99,754,454.433,1.978,6,0.392,0.62,0.759,0.1464515797409362,0.2043297238023439,0.031192173257487493,0.05100747035844013,0.10824523678980191
EOS-2-08874,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnnn6C)cc5F)n34)cc2)nn1,ZZNSGOQYMXZAJK-UHFFFAOYSA-N,2,1,0.324,98,866,454.433,1.978,6,0.392,0.66,1.0,0.18268110479062435,0.24982866150366664,0.1102306216160647,0.14851620862175313,0.17281414913302723
EOS-2-08875,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5F)n34)cn2)n1,QUFHTNSILZZKTC-UHFFFAOYSA-N,2,1,0.313,99,286,454.433,1.978,6,0.392,0.63,1.0,0.20217942567336028,0.2804811184977041,0.08070899869782742,0.1032314440408471,0.1666502467274347
EOS-2-08876,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)[nH]n6)nc5)n34)nn2)nn1C,YRYKBMOTOBIZHY-UHFFFAOYSA-N,2,1,0.283,99,14,454.433,2.276,6,0.424,0.55,0.162,0.15500137070797065,0.2703036118155027,0.04847166061270646,0.05794667945994106,0.13293083064903022
EOS-2-08877,Cc1nc(-c2ccc(F)cn2)c(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cn4)n23)n1C,WERVUCYMHNMOAA-UHFFFAOYSA-N,2,1,0.264,99,652,454.433,2.276,6,0.424,0.53,0.75,0.19383524090192583,0.259851963539168,0.05032211637310671,0.07870433829072716,0.14567841477623195
EOS-2-08878,Fc1cc(-c2cscn2)ccc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,GRCYUYADZHAIGK-UHFFFAOYSA-N,2,1,0.474,27,430,454.437,4.966,5,0.361,0.74,0.999,0.8931104790624358,0.8507299019943801,0.9292886025632239,0.889957850729902,0.8907717085874854
EOS-2-08879,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)ncc1-c1cscn1,XSAAKXSUAYFKKN-UHFFFAOYSA-N,2,1,0.552,1,676,454.437,4.966,5,0.361,0.73,1.0,0.8612929202933315,0.860042149270098,0.9274210129531903,0.9007950106229867,0.8873877732849016
EOS-2-08880,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccns5)n4)n23)cc1,PLTFFVZNLGTLNT-UHFFFAOYSA-N,2,1,0.553,1,676,454.437,4.908,5,0.376,0.71,1.0,0.7741158933589198,0.7947878829415393,0.9526848742375437,0.9018915769995203,0.8558700568843808
EOS-2-08881,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3cncc(-c4cncs4)c3)n12,IZHXCDHUNRTQCD-UHFFFAOYSA-N,2,1,0.518,97,91,454.437,4.966,5,0.361,0.67,1.0,0.8261685285449935,0.8538139949283805,0.9447519018573093,0.9188797889109726,0.885903553560414
EOS-2-08882,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)s2)ccn1,QTHYGDPXUXYKAY-UHFFFAOYSA-N,2,1,0.523,1,744,454.437,4.966,5,0.337,0.68,1.0,0.7656689054896855,0.8439620313892126,0.8934874237543692,0.8654478788294154,0.8421415598656707
EOS-2-08883,Fc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c2)cs1,MXHASVIWUGFVNH-UHFFFAOYSA-N,2,1,0.528,11,265,454.437,4.349,5,0.38,0.71,1.0,0.8476886436844631,0.7990713453498732,0.8272736618463437,0.8110136385443081,0.821261822356247
EOS-2-08884,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccc2F)cs1,JGPDFIXEZQWEJN-UHFFFAOYSA-N,2,1,0.512,59,89,454.437,4.615,5,0.386,0.7,1.0,0.8656791857994655,0.814962990884792,0.8752912754437667,0.8504471934754301,0.8515951614008637
EOS-2-08885,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cn1,BOZVSZANMFJQDS-UHFFFAOYSA-N,2,1,0.59,27,69,454.437,4.908,5,0.376,0.68,1.0,0.7449883489822493,0.765266260023302,0.94958364745391,0.8774929751216504,0.8343328078952779
EOS-2-08886,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3cnc(-c4ccccn4)s3)n12,JIOKSTSWYJTSPH-UHFFFAOYSA-N,2,1,0.489,24,805,454.437,4.966,5,0.361,0.67,1.0,0.8154341717497087,0.847508738263313,0.8408094030566787,0.8154598725241587,0.8298030463984648
EOS-2-08887,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5cccs5)n4)n23)ccc1C(F)F,BNJQGYFIDYLQKC-UHFFFAOYSA-N,2,1,0.534,27,343,454.437,4.966,5,0.361,0.66,1.0,0.8430539373586458,0.8822561853197176,0.8656020834761154,0.8233414433554931,0.8535634123774929
EOS-2-08888,COc1cc(C(F)F)c(F)cc1-c1nnc2cncc(-c3ccc(-c4csnn4)cc3)n12,DWNSSYCMZIOWAR-UHFFFAOYSA-N,2,1,0.353,96,697,454.437,5.062,5,0.369,0.75,1.0,0.31292406277842505,0.4654838599136454,0.9408368172160921,0.9055239531217874,0.6561921732574875
EOS-2-08889,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cs2)nc1,RKXYJBVZOGOLCK-UHFFFAOYSA-N,2,1,0.506,1,268,454.437,4.966,5,0.361,0.73,1.0,0.8334247138647112,0.8507384689191968,0.8489394147076965,0.8271794256733603,0.8400705057912411
EOS-2-08890,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)nc4)n23)cc1,JDRLGXSCBBJRMH-UHFFFAOYSA-N,2,1,0.597,1,805,454.437,4.908,5,0.376,0.76,1.0,0.944246453293126,0.7990799122746899,0.9688763621410459,0.9220838187924063,0.9085716366253169
EOS-2-08891,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)cc1,XXHYIEVFUZBEAV-UHFFFAOYSA-N,2,1,0.584,43,138,454.437,4.908,5,0.376,0.74,1.0,0.9309505859776575,0.8630491398807484,0.9735710369405798,0.9363820163114248,0.9259881947776025
EOS-2-08892,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)cs4)n23)cc1,GBSNPYRRDXFQDC-UHFFFAOYSA-N,2,1,0.59,1,676,454.437,4.908,5,0.376,0.74,1.0,0.7566822013570009,0.8072870262490577,0.9240799122746899,0.8639229662120486,0.8379930265231993
EOS-2-08893,Fc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)ccc1-c1cscn1,FCVLUYSLPJJTDV-UHFFFAOYSA-N,2,1,0.565,97,214,454.437,4.966,5,0.361,0.7,1.0,0.9137910355698718,0.8337588239325612,0.9240884791995065,0.8788808169419505,0.8876297889109726
EOS-2-08894,Cc1csc(-c2ccc(-c3nnc4cncc(OCc5nc(F)ccc5F)n34)cc2F)n1,QFZLOFBYVZECJY-UHFFFAOYSA-N,2,1,0.489,34,92,454.437,4.615,5,0.361,0.72,1.0,0.7828113220478377,0.8439705983140292,0.7578044685079843,0.7340997875402645,0.779671544102529
EOS-2-08895,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccsc5)c4)n23)cn1,KTNKVMJWEOWFNE-UHFFFAOYSA-N,2,1,0.561,27,419,454.437,4.908,5,0.376,0.76,1.0,0.8430625042834624,0.7780738126242204,0.9612260982797615,0.9008035775478035,0.870791498183812
EOS-2-08896,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cn2)cs1,SBELODSRESYJOS-UHFFFAOYSA-N,2,1,0.506,59,109,454.437,4.615,5,0.361,0.74,1.0,0.8359947913097114,0.8475173051881296,0.8613186210677816,0.8194263587142759,0.8410642690699747
EOS-2-08897,Fc1cnc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1-c1ccsc1,PQBQIMWHMKSTKY-UHFFFAOYSA-N,2,1,0.518,27,69,454.437,4.966,5,0.361,0.65,1.0,0.7387944623397985,0.7990884791995065,0.9089507230484545,0.8671184291686657,0.8284880234391062
EOS-2-08898,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)cn1,CNCCELYOPCWGSY-UHFFFAOYSA-N,2,1,0.753,91,883,454.44,4.625,5,0.372,0.78,1.0,0.9891542731820986,0.9848965115482147,0.9489154273182099,0.9363905832362415,0.9648391988211912
EOS-2-08899,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cc2F)cc1,ROWZFPVNJGDKCW-UHFFFAOYSA-N,2,1,0.588,91,883,454.44,4.625,5,0.372,0.78,1.0,0.9648156397779453,0.9706240148036461,0.9174833801658556,0.9208930162428894,0.9434540127475841
EOS-2-08900,N#Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)ccc1F,AMLOHNMXTHIHOZ-UHFFFAOYSA-N,2,1,0.539,11,159,454.44,4.625,5,0.372,0.78,1.0,0.8763107394969502,0.8264683709135768,0.9373757795901583,0.9355852923034748,0.8939350455760401
EOS-2-08901,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2)cs1,FXNWXRRKIMQYHK-UHFFFAOYSA-N,2,1,0.314,38,653,445.558,5.162,6,0.373,0.6,1.0,0.04268041943663902,0.12088787608799945,0.31536563635117537,0.3738520320745665,0.21319649098759508
EOS-2-08902,c1csc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccsc6)s5)n34)nc2)n1,VTXMHHVGPYXXPF-UHFFFAOYSA-N,2,1,0.31,70,392,445.558,5.162,6,0.373,0.61,0.998,0.06562264409567542,0.12456308683434994,0.16063840723733808,0.2086474539099445,0.13986789801932697
EOS-2-08903,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6F)c5)n34)cc2)n[nH]1,ZFZAEETVLAOLAI-UHFFFAOYSA-N,2,1,0.307,3,150,454.444,4.621,6,0.42,0.62,0.997,0.03534713179357138,0.2703121787403194,0.8272822287711603,0.8293297238023439,0.4905678157768487
EOS-2-08904,O=[N+]([O-])c1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccc(O)c5)nc4)n23)c1,OAFVHTDZCLYEEI-UHFFFAOYSA-N,2,1,0.607,79,824,454.446,4.089,5,0.288,0.81,1.0,0.8360033582345281,0.31659070659995886,0.5037523130697005,0.2973065588376396,0.4884132341854568
EOS-2-08905,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)cc2)n1,GUWWWRYODHIMRV-UHFFFAOYSA-N,2,1,0.322,69,958,445.551,6.557,6,0.308,0.78,1.0,0.11669008292783223,0.1538020012336372,0.8293125899527106,0.8214224521965595,0.4803067815776849
EOS-2-08906,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cc5)n34)cc2)n1,FHPLFPDOALIBJW-UHFFFAOYSA-N,2,1,0.337,69,898,445.551,6.557,6,0.308,0.76,1.0,0.12464018915769995,0.1864248509355082,0.8024638475772736,0.7935885134672058,0.47677935028442187
EOS-2-08907,Cc1c(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)no2)cnn1C,HBAQMYWKIXGWLK-UHFFFAOYSA-N,2,1,0.512,40,25,454.45,3.722,6,0.37,0.73,1.0,0.3202659173463094,0.2043382907271606,0.2751353574121034,0.1915564389006922,0.24782400109656638
EOS-2-08908,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccoc5)nn4C)n23)cn1,WXCWZNVBQWIJQS-UHFFFAOYSA-N,2,1,0.394,80,816,454.454,2.554,6,0.373,0.69,0.945,0.32027448427112604,0.21911623603591254,0.03243437735590433,0.024158727983003222,0.14899595641148655
EOS-2-08909,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nncn6C)on5)n34)cc2)n[nH]1,JESWRJQBPOAELV-UHFFFAOYSA-N,2,1,0.443,67,415,454.454,2.852,6,0.402,0.58,1.0,0.38151086286066754,0.2498372284284833,0.1130234391062984,0.08915598656706189,0.2083818792406278
EOS-2-08910,Fc1cncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)n2)c1,YTNZWYKRLWHMKA-UHFFFAOYSA-N,2,1,0.309,98,186,454.454,3.363,6,0.395,0.63,1.0,0.16034713179357138,0.25986053046398466,0.3004848879446234,0.3831985470495511,0.27597277431293266
EOS-2-08911,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccon5)nn4C)n23)cc1,AIXGFGNLSRXNHH-UHFFFAOYSA-N,2,1,0.435,56,415,454.454,2.554,6,0.373,0.63,0.999,0.3815194297854842,0.2650263861284353,0.052181139058323625,0.04700671646905627,0.18643341786032486
EOS-2-08912,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)nn4)n23)cc1,NPVXWGVIGKRQCC-UHFFFAOYSA-N,2,1,0.439,89,926,454.454,1.633,6,0.389,0.88,1.0,0.205023644712494,0.11166129806044822,0.03120074018230416,0.03492735247755466,0.09570325885820027
EOS-2-08913,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4)n23)no1,GSPRIOWRDMWQDG-UHFFFAOYSA-N,2,1,0.37,67,789,454.454,3.251,6,0.372,0.56,1.0,0.1660612706462888,0.19513741347405936,0.11604756356658213,0.0929854019601124,0.1425579124117607
EOS-2-08914,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)no2)cn1,IYYGFRJGXUPMOM-UHFFFAOYSA-N,2,1,0.422,56,197,454.454,2.554,6,0.373,0.69,1.0,0.37226715098348295,0.24492838050853266,0.08561784661777808,0.05640463299294085,0.18980450277568364
EOS-2-08915,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)nc1,YYRAIEGMQJWXMM-UHFFFAOYSA-N,2,1,0.279,86,902,454.454,3.363,6,0.395,0.67,1.0,0.10855150435199781,0.2295079158385306,0.17672709204304024,0.23798060448221506,0.18819177917894592
EOS-2-08916,Cn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n(C)n2)n1,YMVWXOUJCFMLSP-UHFFFAOYSA-N,2,1,0.446,71,415,454.454,2.554,6,0.373,0.55,0.898,0.3129326297032417,0.2598690973888013,0.1270988965800836,0.09109211157562881,0.19774818381193884
EOS-2-08917,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nncn6C)no5)n34)cc2)cn1,LCLAAETWJCCUGK-UHFFFAOYSA-N,2,1,0.483,56,415,454.454,2.554,6,0.373,0.67,1.0,0.35862003975053114,0.25493454869440063,0.1329586731546844,0.10524467137276403,0.21293948324309506
EOS-2-08918,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nnc(C)o6)nn5C)n34)cc2)n[nH]1,NSSJRUKNLFVZTO-UHFFFAOYSA-N,2,1,0.351,67,622,454.454,3.374,6,0.415,0.58,1.0,0.3747001576314166,0.259877664313618,0.09259132341854567,0.05942019052840792,0.19664733397299708
EOS-2-08919,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n(C)n2)no1,JECWIPVKQVNPMJ-UHFFFAOYSA-N,2,1,0.402,56,763,454.454,2.852,6,0.402,0.58,1.0,0.37924062778425055,0.3215852237680762,0.07854156671921048,0.060987937769858135,0.2100888390103488
EOS-2-08920,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,YTUQBGTZRJFZAE-UHFFFAOYSA-N,2,1,0.418,36,447,454.458,1.684,6,0.398,0.52,1.0,0.3770217942567336,0.34042389143992874,0.03244294428072099,0.03170618874648756,0.19539870468096773
EOS-2-08921,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccc[nH]6)nn5C)n34)cn2)nn1,DVPGSNIYFYUSPT-UHFFFAOYSA-N,2,1,0.346,92,502,454.458,1.684,6,0.398,0.6,0.475,0.27276231923788635,0.25494311561921734,0.01720238503186896,0.01141971078061819,0.13908188266739774
EOS-2-08922,C=CCOc1cncc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4F)n23)c1,CKWWHEGPTCTLRS-UHFFFAOYSA-N,2,1,0.456,97,91,454.465,4.531,5,0.318,0.68,1.0,0.8877218833527517,0.8405952299362621,0.7720598314029196,0.669822150640806,0.7925497738331848
EOS-2-08923,Cc1nn(C)cc1-c1nnc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)s1,RLSVZHHQPNTJMX-UHFFFAOYSA-N,2,1,0.488,36,51,454.466,3.868,5,0.384,0.72,1.0,0.4492238366116099,0.48290898499074775,0.32990370776506067,0.31013124528819136,0.39304194366390244
EOS-2-08924,Cn1nc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)nc1C(F)F,QXXZQTFVRQFRRW-UHFFFAOYSA-N,2,1,0.524,75,359,454.466,3.602,5,0.371,0.63,0.992,0.46294805016791174,0.41230039065177165,0.2171886779521623,0.18342642724967445,0.31896588650538005
EOS-2-08925,Cc1nc(-c2cn(CC(F)F)cn2)cc(-c2nnc3cncc(OCc4ccsc4)n23)n1,NDMSUDLTCZFKQG-UHFFFAOYSA-N,2,1,0.388,31,330,454.466,3.659,5,0.37,0.65,0.67,0.42144986635597287,0.29631279555890616,0.38610273456240146,0.3131211020492084,0.3542466246316222
EOS-2-08926,Cc1nc(-c2nnc3cncc(OCc4cncs4)n23)ccc1-c1cncn1CC(F)F,YPBKOGSDKKLCDW-UHFFFAOYSA-N,2,1,0.417,31,62,454.466,3.659,5,0.37,0.57,0.879,0.4629566170927284,0.35023302035501336,0.4111181550270715,0.33187410047289423,0.3890454732369269
EOS-2-08927,c1csc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)c1,XDXWGIMNVOQPDP-UHFFFAOYSA-N,2,1,0.422,81,59,454.475,3.939,6,0.369,0.76,1.0,0.5990250839558632,0.5614162840106915,0.2138647111232952,0.19156500582550887,0.3914677712288397
EOS-2-08928,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cncs4)cn3)n12,VEBLYLXJLJBOPP-UHFFFAOYSA-N,2,1,0.289,42,339,454.475,4.035,6,0.38,0.63,1.0,0.27516962511137,0.12089644301281612,0.35974230690151465,0.2881399492838051,0.26098708107737645
EOS-2-08929,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,AGEMZEGKHLTEBY-UHFFFAOYSA-N,2,1,0.389,9,340,454.475,4.035,6,0.38,0.73,1.0,0.2565708313343842,0.16139229662120486,0.41112672195188815,0.3413833870193955,0.29261830923171817
EOS-2-08930,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)s2)nc1,DUFGNCYYHGGVBK-UHFFFAOYSA-N,2,1,0.489,81,117,454.475,3.939,6,0.369,0.61,1.0,0.5592145843328079,0.5287677335343705,0.23886299773833186,0.20581180179562744,0.3831642793502844
EOS-2-08931,c1cnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cs2)nc1,RMEPZCNQNBCEJZ-UHFFFAOYSA-N,2,1,0.517,28,120,454.475,3.939,6,0.369,0.66,1.0,0.4306935782331574,0.4613117675279282,0.13925536289493523,0.12369782742786649,0.2887396340209718
EOS-2-08932,COc1ncccc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)s1,NUOTWTVDFWZKOJ-UHFFFAOYSA-N,2,1,0.279,9,339,454.475,4.035,6,0.38,0.67,1.0,0.22418785552737988,0.13485196353916798,0.17979405112740732,0.15117195531492017,0.17250145637721886
EOS-2-08933,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,SPZQEYSSLFSYPU-UHFFFAOYSA-N,2,1,0.318,32,727,454.475,4.035,6,0.38,0.68,0.979,0.33996984442464534,0.1737029675827565,0.3486310054142965,0.2732677678020698,0.28389289630594206
EOS-2-08934,c1cnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)no2)cn1,OIKMUNXBJHXDKL-UHFFFAOYSA-N,2,1,0.447,80,147,454.475,3.939,6,0.369,0.7,1.0,0.47548146117469675,0.4213813309574395,0.17980261805222397,0.2058203687204441,0.3206214447262011
EOS-2-08935,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnn6)no5)n34)s2)cc1,SLKMCSYTHLCBFB-UHFFFAOYSA-N,2,1,0.4,81,218,454.475,3.939,6,0.369,0.69,1.0,0.22707490919059695,0.2092300047974779,0.09044102528956206,0.12787848673840038,0.16365610650400933
EOS-2-08936,c1ccc(-c2csc(COc3cncc4nnc(-c5ccc(-c6nnco6)nc5)n34)n2)cc1,BPVPPLMKFIHRNZ-UHFFFAOYSA-N,2,1,0.441,81,363,454.475,3.939,6,0.369,0.68,1.0,0.3747087245562333,0.37438318141319993,0.16064697416215476,0.16959941059557262,0.2698345726817902
EOS-2-08937,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncs6)cn5)n34)cc2)o1,FHRYQOACLSJYOM-UHFFFAOYSA-N,2,1,0.494,40,355,454.475,3.939,6,0.369,0.59,1.0,0.46064354739222807,0.47888253032691386,0.3338787608799945,0.2853214310191214,0.38968156740456444
EOS-2-08938,c1coc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cscn6)n5)n34)cn2)c1,TVWCWLRUTXFJSQ-UHFFFAOYSA-N,2,1,0.5,6,297,454.475,3.939,6,0.369,0.67,1.0,0.3862226715098348,0.3980450277568364,0.18305804948255774,0.16679802618052225,0.2835309437324378
EOS-2-08939,c1ccc(-c2ncoc2COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nc1,WSGFCVVXEQPDPU-UHFFFAOYSA-N,2,1,0.447,28,297,454.475,3.939,6,0.369,0.64,1.0,0.4678568980878624,0.43029093276677405,0.1767356589678569,0.16420224796107188,0.3097714344458913
EOS-2-08940,c1cc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)nc(-c2ncon2)c1,STGQZGNZBCBVKM-UHFFFAOYSA-N,2,1,0.529,28,120,454.475,3.939,6,0.369,0.66,1.0,0.4121804537043383,0.3980535946816531,0.21051504351997807,0.1859194023713248,0.30166712356932357
EOS-2-08941,c1cc(COc2cncc3nnc(-c4ccnc(-c5cccs5)c4)n23)nc(-c2nnco2)c1,OZCFGDFJPXJPNB-UHFFFAOYSA-N,2,1,0.512,28,597,454.475,3.939,6,0.369,0.71,1.0,0.32785621273387705,0.3404324583647454,0.21387327804811185,0.19426358714275924,0.26910638407237336
EOS-2-08942,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccsc6)nn5)n34)cc2)o1,CGPUODMBJMUXNV-UHFFFAOYSA-N,2,1,0.458,40,518,454.475,3.939,6,0.369,0.59,1.0,0.5151977246247686,0.44359536700705915,0.25651086286066754,0.2585669248166678,0.36846771982729076
EOS-2-08943,c1ccc(-c2csc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)nc1,OFIYDHJSIRCLBD-UHFFFAOYSA-N,2,1,0.54,81,609,454.475,3.939,6,0.369,0.68,1.0,0.3862312384346515,0.4350798437392913,0.1895860461928586,0.1777465560962237,0.2971609211157563
EOS-2-08944,c1csc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cn2)c1,XMBUZFWITPJQFN-UHFFFAOYSA-N,2,1,0.518,6,297,454.475,3.939,6,0.369,0.57,1.0,0.5177849359194023,0.43931190459872527,0.25326399835515045,0.2292680419436639,0.3599072202042355
EOS-2-08945,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)cn5)n34)s2)nc1,QLUMEMSWNOFMLZ-UHFFFAOYSA-N,2,1,0.478,6,297,454.475,3.939,6,0.369,0.67,1.0,0.2998423685833733,0.254951682544034,0.19639675142210952,0.18343499417449113,0.233656449181002
EOS-2-08946,c1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cn5)n34)nc2)c1,TURYRAFVBTYTQX-UHFFFAOYSA-N,2,1,0.452,6,280,454.475,3.939,6,0.369,0.62,1.0,0.20503221163731067,0.22433349324926324,0.3043400041121239,0.2794616544445206,0.2532918408608046
EOS-2-08947,COc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)cc2)s1,HBOBFLOOHIFWJJ-UHFFFAOYSA-N,2,1,0.337,38,818,454.475,4.035,6,0.38,0.66,1.0,0.34246281954629565,0.20434685765197724,0.2242392570762799,0.1834435610993078,0.23862312384346515
EOS-2-08948,c1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cc1,WUKXRXNBIXOKOC-UHFFFAOYSA-N,2,1,0.47,77,857,454.475,3.939,6,0.369,0.61,1.0,0.410047289424988,0.4123089575765883,0.1392639298197519,0.15630354328010418,0.2794809300253581
EOS-2-08949,c1nc(COc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cc(-c2cncs2)n1,HKFGABCESVOZBS-UHFFFAOYSA-N,2,1,0.494,40,120,454.475,3.939,6,0.369,0.62,1.0,0.407751353574121,0.45680556507436093,0.3408265369063121,0.28814851620862175,0.3733829929408539
EOS-2-08950,c1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)s2)c1,HDAFASGSZFUUQM-UHFFFAOYSA-N,2,1,0.511,40,25,454.475,3.939,6,0.369,0.6,1.0,0.4100558563498047,0.4436039339318758,0.2458707422383661,0.23798917140703174,0.3343799259817696
EOS-2-08951,c1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cscn6)c5)n34)cc2)o1,PEMWZGFHRMXSON-UHFFFAOYSA-N,2,1,0.489,40,2,454.475,3.939,6,0.369,0.63,1.0,0.564885888561442,0.40747721197998765,0.4008549790967034,0.33509526420396135,0.4270783359605236
EOS-2-08952,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)s5)n34)cc2)cn1,HVFUSYMTBBWAON-UHFFFAOYSA-N,2,1,0.494,80,355,454.475,3.939,6,0.369,0.62,1.0,0.5258806798711535,0.5242957987800699,0.27514392433692003,0.2525358097457337,0.39446405318346933
EOS-2-08953,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccco6)s5)n34)cc2)nc1,RSUUOVYMKGMHLK-UHFFFAOYSA-N,2,1,0.477,40,608,454.475,3.939,6,0.369,0.7,1.0,0.41672092385717224,0.39806216160646973,0.1160561304913988,0.12370639435268316,0.263636402576931
EOS-2-08954,c1coc(-c2nccc(COc3cncc4nnc(-c5ccnc(-c6nccs6)c5)n34)n2)c1,DOOCELKRPZJTAL-UHFFFAOYSA-N,2,1,0.518,24,297,454.475,3.939,6,0.369,0.68,1.0,0.33048625865259407,0.3456240148036461,0.157365841957371,0.13439791652388458,0.24196850798437392
EOS-2-08955,c1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cn5)n34)cc2)n1,MKSNUZQCEQIKIE-UHFFFAOYSA-N,2,1,0.553,81,120,454.475,3.939,6,0.369,0.62,1.0,0.29728085806318966,0.3260914262216435,0.3371598930847783,0.28532999794393804,0.31146554382838737
EOS-2-08956,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4noc(-c5cncs5)n4)n23)cc1,DWNXDTCZQIMWKA-UHFFFAOYSA-N,2,1,0.413,28,797,454.475,3.939,6,0.369,0.56,0.989,0.3677095469810157,0.35024158727983,0.09259989034336234,0.12371496127749983,0.233566496470427
EOS-2-08957,Cc1nc(C)c(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)s1,XLXPODQEPSZKCA-UHFFFAOYSA-N,2,1,0.667,91,660,445.523,5.292,5,0.355,0.75,1.0,0.7054605578781441,0.7248989102871634,0.57499485984511,0.5390651771640053,0.6361048762936057
EOS-2-08958,c1cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)nc(-c2nccs2)c1,YWPSEDLTJRNIDM-UHFFFAOYSA-N,2,1,0.517,81,609,454.479,3.069,6,0.403,0.63,1.0,0.437487149612775,0.42573332876430675,0.14215098348296895,0.12788705366321707,0.283314628880817
EOS-2-08959,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc(C)no6)nc5)n34)s2)nn1,LERXWEWDOFHUSN-UHFFFAOYSA-N,2,1,0.296,76,14,454.479,3.434,6,0.39,0.69,1.0,0.1409430470838188,0.18643341786032486,0.04515626070865602,0.04061579055582208,0.10328712905215544
EOS-2-08960,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)s2)nc1,UWDSRCDKTFQXQS-UHFFFAOYSA-N,2,1,0.439,80,584,454.479,3.069,6,0.403,0.61,1.0,0.5027499828661504,0.5103317113289014,0.10510760057569735,0.09110067850044548,0.3023224933177987
EOS-2-08961,c1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnns6)n5)n34)cc2)n[nH]1,PFTLGMXCMGQWCY-UHFFFAOYSA-N,2,1,0.412,56,350,454.479,3.069,6,0.403,0.55,1.0,0.339978411349462,0.4169779316016723,0.1830666164073744,0.18883215680899185,0.28221377904187517
EOS-2-08962,c1cn(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nc2)cn1,SCLQXZGRYLXFHN-UHFFFAOYSA-N,2,1,0.379,80,855,454.479,2.865,6,0.374,0.59,1.0,0.33998697827427865,0.28048968542252073,0.15417894592557055,0.1237235282023165,0.2245947844561716
EOS-2-08963,c1cc(-c2nccs2)nc(COc2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4)n23)n1,BCLGJBMFYWXBQW-UHFFFAOYSA-N,2,1,0.367,6,297,454.479,3.069,6,0.403,0.5,1.0,0.41006442327462134,0.46132033445274484,0.07420670276197656,0.06237577959015832,0.25199181001987525
EOS-2-08964,c1cc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)cc(-c2nn[nH]n2)c1,IRSKMCIETIIKLT-UHFFFAOYSA-N,2,1,0.5,77,245,454.479,3.069,6,0.403,0.68,1.0,0.5437769858131725,0.4921526968679323,0.2496230553080666,0.23500788157083133,0.38014015489000075
EOS-2-08965,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5n[nH]c(=O)s5)cn4)n23)nc1,CVFNUGBLRCAPIT-UHFFFAOYSA-N,2,1,0.261,70,813,454.479,2.461,6,0.43,0.53,0.917,0.10607566307998081,0.1145397847988486,0.10511616750051402,0.09900795010622987,0.10618489137139332
EOS-2-08966,c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cscn6)cn5)n34)cc2)n[nH]1,YLYNLRUJNDQWBW-UHFFFAOYSA-N,2,1,0.418,56,425,454.479,3.069,6,0.403,0.72,1.0,0.4803303406209307,0.4613289013775615,0.1638852717428552,0.13648824617915153,0.3105081899801247
EOS-2-08967,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nnc(C)s6)n5)n34)cc2)o1,HCEJNJIVEMCJOK-UHFFFAOYSA-N,2,1,0.286,98,303,454.479,3.434,6,0.39,0.63,0.997,0.127475841272017,0.17794359536700705,0.03507299019943801,0.04062435748063875,0.0952791960797752
EOS-2-08968,c1cnn(-c2ccc(COc3cncc4nnc(-c5cc(-c6cncs6)ncn5)n34)nc2)c1,ZMIKJALJYZDAPE-UHFFFAOYSA-N,2,1,0.412,6,547,454.479,2.865,6,0.374,0.58,0.999,0.1855167569049414,0.13486053046398463,0.15418751285038723,0.12789562058803372,0.15061510520183674
EOS-2-08969,c1csc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)c1,WNRQLPTWJSDWFI-UHFFFAOYSA-N,2,1,0.478,81,609,454.479,3.069,6,0.403,0.75,1.0,0.510314577479268,0.47001576314166266,0.15737440888218765,0.15631211020492083,0.32350421492700976
EOS-2-08970,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cn5)n34)cc2)n[nH]1,WFYHHOIFAVYGTG-UHFFFAOYSA-N,2,1,0.5,56,425,454.479,3.069,6,0.403,0.65,1.0,0.344852991570146,0.34044102528956205,0.22795730244671372,0.19978925364950997,0.27826014323898296
EOS-2-08971,c1cncc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,WDHXKEBOHYRFIO-UHFFFAOYSA-N,2,1,0.453,56,425,454.479,3.069,6,0.403,0.65,1.0,0.3991929956822699,0.4257418956891234,0.08562641354259475,0.09110924542526215,0.25041763758481256
EOS-2-08972,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6nnc(C)s6)c5)n34)cn2)n1,ADJCUQPGYGOCJC-UHFFFAOYSA-N,2,1,0.291,70,968,454.479,3.434,6,0.39,0.68,1.0,0.21059214584332808,0.17371153450757315,0.03641799739565486,0.03275135357412103,0.11336825783016928
EOS-2-08973,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)nc5)n34)cc2)n[nH]1,PLALKVIXEJIIGI-UHFFFAOYSA-N,2,1,0.511,81,425,454.479,3.069,6,0.403,0.69,1.0,0.4854276608868481,0.36461688712219864,0.2209152902474128,0.1942721540675759,0.31630799808100885
EOS-2-08974,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)nn5)n34)cc2)n[nH]1,SCCJGNCYARLXQW-UHFFFAOYSA-N,2,1,0.447,81,117,454.479,3.069,6,0.403,0.61,1.0,0.3630577068055651,0.40290247412788704,0.17006202453567268,0.17775512302104038,0.2784443321225413
EOS-2-08975,c1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)cc1,UZHALNXACFGRJY-UHFFFAOYSA-N,2,1,0.47,67,857,454.479,3.069,6,0.403,0.67,1.0,0.43273250633952437,0.44361250085669246,0.0807175656226441,0.09901651703104654,0.2640197724624769
EOS-2-08976,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cnnn6C)nc5)n34)nc2)s1,JJSJVWIRVGHKDU-UHFFFAOYSA-N,2,1,0.261,99,286,454.483,2.266,6,0.39,0.54,1.0,0.016559865670618873,0.04585874854362278,0.014443835240901925,0.012242135563018298,0.022276146254540472
EOS-2-08977,Fc1cc(-c2ccccc2)sc1Oc1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,YCZYAPKFWQRXOT-UHFFFAOYSA-N,2,1,0.427,12,427,454.486,6.711,6,0.29,0.69,1.0,0.8635460215201152,0.7652748269481187,0.8507384689191968,0.8393787266122953,0.8297345109999315
EOS-2-08978,CSc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C)cn1,YMJCWZFMRLBVCW-UHFFFAOYSA-N,2,1,0.488,65,569,445.512,2.72,5,0.276,0.7,1.0,0.22978205743266397,0.05702145157974094,0.08563498046741141,0.05795524638475773,0.10759843396614352
EOS-2-08979,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cc2F)o1,YHFZOWAQJMMWHL-UHFFFAOYSA-N,2,1,0.342,42,818,454.49,5.684,6,0.341,0.67,1.0,0.36306627373038175,0.45238503186896034,0.7601946405318347,0.739454115550682,0.5787750154204647
EOS-2-08980,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)s2)no1,VOKZDWOHRMXDDT-UHFFFAOYSA-N,2,1,0.372,30,651,454.49,5.684,6,0.341,0.75,1.0,0.29985093550819,0.4829175519155644,0.5414896168871222,0.6207936399150161,0.4862629360564732
EOS-2-08981,COc1cncc(CCOc2cncc3nnc(-c4ccc(OC)c(-c5ccccn5)c4)n23)c1,IWMHVOANXILMGO-UHFFFAOYSA-N,2,1,0.545,35,777,454.49,3.887,5,0.348,0.68,1.0,0.5203550133644027,0.2342454252621479,0.544899252964156,0.3510725789870468,0.4126430676444383
EOS-2-08982,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)s1,SHEMKMDDJAYAFG-UHFFFAOYSA-N,2,1,0.358,69,299,454.49,5.684,6,0.341,0.72,1.0,0.19673942841477624,0.3791720923857172,0.5717394284147762,0.6439928723185525,0.4479109553834555
EOS-2-08983,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cscc5-c5ccc(F)cc5)n34)cc2)o1,BLPGGTBCSGEROP-UHFFFAOYSA-N,2,1,0.4,9,90,454.49,5.684,6,0.341,0.72,1.0,0.30750119936947434,0.4654924268384621,0.6949232403536426,0.7207096840518128,0.547156637653348
EOS-2-08984,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nc2OC)cc1,PSQYSHGWYRJYGJ-UHFFFAOYSA-N,2,1,0.568,49,769,454.49,3.887,5,0.348,0.76,0.995,0.4539356452607772,0.17372010143238983,0.3861113014872182,0.23205229250908094,0.3114548351723665
EOS-2-08985,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cc5)n34)s2)o1,JTCYGUIODRSGBO-UHFFFAOYSA-N,2,1,0.373,93,74,454.49,5.684,6,0.341,0.73,1.0,0.34938489479816326,0.5658111164416421,0.6034884517853472,0.6641165787129052,0.5457002604345144
EOS-2-08986,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5F)n34)nc2)cs1,XROZMDXFLRKAHK-UHFFFAOYSA-N,2,1,0.303,32,174,454.49,5.684,6,0.341,0.71,0.333,0.1994637105064766,0.2963213624837228,0.718096771982729,0.7180625042834624,0.48298608731409776
EOS-2-08987,COc1cccc(OC)c1-c1cncc(COc2cncc3nnc(-c4ccc(C)cc4)n23)n1,FWTFHZRVOZBBNU-UHFFFAOYSA-N,2,1,0.512,89,61,454.49,4.153,5,0.362,0.78,1.0,0.4261274073058735,0.1737286683572065,0.5107514906449181,0.30691008155712424,0.3543794119662806
EOS-2-08988,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)s1,PHSOAAPTBFCWIU-UHFFFAOYSA-N,2,1,0.349,32,20,454.49,5.684,6,0.341,0.67,1.0,0.17977691727777398,0.30116167500514013,0.5211945719964362,0.6119440065793983,0.4035192927146871
EOS-2-08989,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cc5)n34)cc2)sc1F,JPAYPGMCNCXPOG-UHFFFAOYSA-N,2,1,0.342,69,898,454.49,5.684,6,0.341,0.72,1.0,0.2890651771640052,0.4029110410527037,0.6067524501404976,0.5687667055033925,0.46687384346514976
EOS-2-08990,CCOc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(O)c4)n23)c1,JDERGIAPDOYQPT-UHFFFAOYSA-N,2,1,0.473,11,201,454.49,3.974,5,0.375,0.54,1.0,0.5490285107257898,0.3696199712151326,0.507376122267151,0.3770560619560003,0.4507701665410184
EOS-2-08991,COc1ccccc1CCOc1cncc2nnc(-c3ccnc(-c4nnc(C)s4)c3)n12,ZDJXFDKHTXCGFW-UHFFFAOYSA-N,2,1,0.59,15,241,445.508,3.643,5,0.374,0.75,0.998,0.39060893701596877,0.2140531834692619,0.14811356315536975,0.09693475430059625,0.21242760948529918
EOS-2-08992,COc1cnccc1CCOc1cncc2nnc(-c3cccc(-c4nnc(C)s4)c3)n12,SXWHZNSBPBRVMN-UHFFFAOYSA-N,2,1,0.534,15,628,445.508,3.643,5,0.374,0.7,1.0,0.41913679665547254,0.2755123021040367,0.18959461311767528,0.11684428757453225,0.25027199986292925
EOS-2-08993,CCOc1cc(COc2cncc3nnc(-c4cccc(-c5nnc(C)s5)c4)n23)ccn1,ZHQFBHQQNKCVSX-UHFFFAOYSA-N,2,1,0.462,72,628,445.508,3.991,5,0.371,0.68,1.0,0.3927506682201357,0.2963299294085395,0.2069940374203276,0.12144472620108286,0.2543798403125214
EOS-2-08994,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(CO)s5)nc4)n23)c(C)n1,VGNFOTDZGQMCSG-UHFFFAOYSA-N,2,1,0.478,55,464,445.508,3.393,5,0.423,0.71,1.0,0.4285432801041738,0.4074857789048043,0.18960318004249194,0.11215817969981495,0.28444760468782126
EOS-2-08995,CC(CO)c1ncc(-c2ccnc(-c3nnc4cncc(OCc5cccs5)n34)c2)cn1,IXUXWXLEOJRVLF-UHFFFAOYSA-N,2,1,0.472,7,840,445.508,3.38,5,0.406,0.66,1.0,0.45394421218559383,0.3696285381399493,0.2532725652799671,0.1668065931053389,0.31091297717771227
EOS-2-08996,COc1ccncc1CCOc1cncc2nnc(-c3cccc(-c4nnc(C)s4)c3)n12,WVYZWMUFXULALY-UHFFFAOYSA-N,2,1,0.534,15,628,445.508,3.643,5,0.374,0.68,1.0,0.4214584332807895,0.27032074566513603,0.18307518333219108,0.11457405249811528,0.24735710369405797
EOS-2-08997,COc1ccccc1CCOc1cncc2nnc(-c3cc(-c4cnc(C)s4)ncn3)n12,UOJWUXNZKUYVSX-UHFFFAOYSA-N,2,1,0.471,44,238,445.508,3.643,5,0.374,0.66,0.944,0.31787574532245905,0.15381056815845384,0.19640531834692618,0.11685285449934892,0.19623612158179699
EOS-2-08998,COCc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5nccs5)n34)c2)n1,ZOUDNHSUANTUKF-UHFFFAOYSA-N,2,1,0.593,15,921,445.508,3.473,5,0.358,0.66,1.0,0.5127818518264684,0.34563258172846273,0.1271074635049003,0.09902508395586321,0.27113674525392367
EOS-2-08999,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6C#N)cc5)n34)cc2)o1,WTVZANODZRBDOH-UHFFFAOYSA-N,2,1,0.35,21,810,454.493,5.96,6,0.326,0.73,1.0,0.3202830511959427,0.3062589952710575,0.8876790487286683,0.8687290110341992,0.5957375265574669
EOS-2-09000,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)s1,QYNVFZAPUPKXEL-UHFFFAOYSA-N,2,1,0.311,76,37,454.494,4.61,6,0.387,0.64,0.956,0.003983620039750531,0.06849256390925913,0.37889795079158384,0.4527705434857104,0.22603616955657596
EOS-2-09001,Cn1cc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)c(-c2ccc(F)cc2)n1,CHKABHLBGAOUKX-UHFFFAOYSA-N,2,1,0.368,9,340,454.494,4.516,6,0.389,0.75,1.0,0.05010794325269002,0.24984579535329998,0.5382427523816051,0.611952573504215,0.36253726612295256
EOS-2-09002,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cc[nH]n6)cc5F)n34)cc2)cs1,HVHPBAMXBZROBV-UHFFFAOYSA-N,2,1,0.286,38,532,454.494,4.814,6,0.41,0.72,1.0,0.2270834761154136,0.39311047906243574,0.528159481872387,0.5223939414707697,0.4176868446302515
EOS-2-09003,Cn1cc(-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c(-c2ccc(F)cc2)n1,SNCBJGWXQBPILE-UHFFFAOYSA-N,2,1,0.354,32,572,454.494,4.516,6,0.389,0.77,1.0,0.10361695565759715,0.26503495305325203,0.48313172503598106,0.5360153519292715,0.34694974641902543
EOS-2-09004,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cc2)cs1,PYOLCWGLGPLLCW-UHFFFAOYSA-N,2,1,0.311,3,783,454.494,4.61,6,0.387,0.72,1.0,0.012567678706051676,0.19969501747652663,0.4693989445548626,0.5160629840312522,0.2994311561921733
EOS-2-09005,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5F)n34)s2)n1,SURIGVQDEXRGPA-UHFFFAOYSA-N,2,1,0.329,76,653,454.494,4.516,6,0.389,0.67,1.0,0.20784216297717772,0.36963710506476594,0.47273147830854634,0.46843088205057914,0.37966040710026727
EOS-2-09006,Fc1ccccc1Cn1cc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)nn1,SNCFOOYYWYJPHJ-UHFFFAOYSA-N,2,1,0.333,3,787,454.494,4.361,6,0.385,0.7,1.0,0.09616373106709615,0.25496024946885065,0.4586988554588445,0.532956959769721,0.33569494894112806
EOS-2-09007,Cc1nc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)c(F)c2)n[nH]1,SBNHFYPTGIJALO-UHFFFAOYSA-N,2,1,0.267,30,945,454.494,4.814,6,0.41,0.62,0.97,0.20218799259817696,0.34564114865327944,0.32263895552052635,0.40482146528682067,0.31882239051470085
EOS-2-09008,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)cs1,WIJSMIHQFSXUFV-UHFFFAOYSA-N,2,1,0.333,3,314,454.494,4.516,6,0.389,0.63,1.0,0.15231992324035365,0.3215937906928929,0.41481049962305533,0.49875779590158315,0.34687050236447126
EOS-2-09009,Cn1cnc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3ccc(-c4cncnc4)s3)n12,FSPZWYFBZTYKHT-UHFFFAOYSA-N,2,1,0.298,94,566,454.494,4.516,6,0.389,0.65,0.908,0.09842539921869646,0.2549688163936673,0.44805873483654307,0.5224025083955863,0.33096386471112327
EOS-2-09010,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)nc2)cs1,LEHGUYGGWKUIEK-UHFFFAOYSA-N,2,1,0.33,10,673,454.494,4.61,6,0.387,0.77,0.683,0.008866767185251182,0.117495373860599,0.5181704475361524,0.5329655266945378,0.29437452881913506
EOS-2-09011,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)[nH]1,MHFOBGGFALLBTG-UHFFFAOYSA-N,2,1,0.315,42,693,454.494,4.814,6,0.41,0.56,0.39,0.14956994037420326,0.254977383318484,0.4796107189363306,0.5293502844219039,0.3533770817627304
EOS-2-09012,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5F)n34)cc2)cn1,SHBCVQGZUBIKKN-UHFFFAOYSA-N,2,1,0.338,9,340,454.494,4.516,6,0.389,0.71,1.0,0.11384586388869851,0.2549859502433007,0.7077907614282777,0.7041926530052772,0.4452038071413885
EOS-2-09013,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cn4)n23)s1,PGYCZWZMSJAJEX-UHFFFAOYSA-N,2,1,0.314,32,572,454.494,4.814,6,0.41,0.6,0.932,0.17120999246110616,0.3791806593105339,0.37890651771640055,0.45907580015077787,0.3470932424097046
EOS-2-09014,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)s1,BTCDJSDJJVFORE-UHFFFAOYSA-N,2,1,0.333,39,176,454.494,4.516,6,0.389,0.65,0.941,0.13587999451716812,0.23993386334041533,0.38243609074086765,0.4494808443561099,0.3019326982386402
EOS-2-09015,Cc1nc(-c2ccc(-c3nnc4cncc(-c5csc(-c6ccc(F)nc6)c5)n34)cc2)n[nH]1,LDKQHTFQCVQBKA-UHFFFAOYSA-N,2,1,0.309,9,7,454.494,4.814,6,0.384,0.68,1.0,0.18552532382975806,0.2963384963333562,0.5650058255088753,0.5557706805565075,0.4006600815571243
EOS-2-09016,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)cc5)s4)n23)cc1,UISTVVQCKPOQEQ-UHFFFAOYSA-N,2,1,0.392,3,641,454.494,4.516,6,0.389,0.68,1.0,0.17121855938592284,0.3456497155780961,0.39345315605510245,0.4590843670755945,0.342351449523679
EOS-2-09017,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)n1,VFJPOFAMWVKNTE-UHFFFAOYSA-N,2,1,0.313,9,834,454.494,4.814,6,0.41,0.69,1.0,0.2187564251936125,0.34565828250291275,0.5615105201836749,0.5459101500925228,0.4179588444931807
EOS-2-09018,CCOCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)cn1,YBPFATSUMLPFTI-UHFFFAOYSA-N,2,1,0.561,75,454,454.494,3.196,5,0.331,0.75,1.0,0.3538482626276472,0.21406175039407854,0.21388184497292853,0.1462374066205195,0.23200731615379344
EOS-2-09019,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)c(F)c2)s1,XGRHDCPJEGIDML-UHFFFAOYSA-N,2,1,0.34,3,668,454.494,4.61,6,0.387,0.65,1.0,0.0070934137482009454,0.20923857172229457,0.4295456103077239,0.477511822356247,0.28084735453361664
EOS-2-09020,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)c(F)c1,RQLZKTKUMCZEES-UHFFFAOYSA-N,2,1,0.329,9,340,454.494,4.516,6,0.389,0.71,1.0,0.1523284901651703,0.25499451716811733,0.5971403604961962,0.6119611404290316,0.4041061270646289
EOS-2-09021,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)cn1,CDAOQWMUWVBZPB-UHFFFAOYSA-N,2,1,0.338,42,725,454.494,4.516,6,0.389,0.6,1.0,0.18268967171544104,0.2755208690288534,0.6482763347268864,0.6235693235556165,0.43251404975669927
EOS-2-09022,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)s1,FSRDWKYVNHPRLR-UHFFFAOYSA-N,2,1,0.343,30,298,454.494,4.61,6,0.387,0.67,0.967,0.003272565279967103,0.08272222602974437,0.2709032965526695,0.3988760194640532,0.18894352683160853
EOS-2-09023,CCOCc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(C)c5)n34)c2)cn1,QJKUCBVLMHIKMC-UHFFFAOYSA-N,2,1,0.396,7,840,454.494,3.462,5,0.348,0.64,1.0,0.3278647796586937,0.14984408196833665,0.2496316222328833,0.14624597354533617,0.21839661435131247
EOS-2-09024,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)s1,NAPGUIAVFDYNDG-UHFFFAOYSA-N,2,1,0.326,30,298,454.494,4.61,6,0.387,0.73,0.997,0.0010365979028168048,0.07932115687752725,0.2565194297854842,0.3863169076828182,0.1807985230621616
EOS-2-09025,Fc1cc(-c2cccs2)ccc1-c1cncc2nnc(-c3ccc(-c4cnco4)s3)n12,IWGYJCBIMUGDEI-UHFFFAOYSA-N,2,1,0.289,32,693,445.504,6.042,6,0.331,0.69,1.0,0.3700140497566993,0.435088410664108,0.7362929202933315,0.77491261736687,0.5790769995202523
EOS-2-09026,N#Cc1ccc(-c2nnc3cncc(-c4cnn(Cc5cccc(-c6ccccc6)c5)n4)n23)cc1,KEIPSPROTSMCEV-UHFFFAOYSA-N,2,1,0.395,93,651,454.497,4.637,6,0.377,0.74,1.0,0.1967479953395929,0.2243420601740799,0.6596960455075046,0.7313155369748475,0.45302540949900627
EOS-2-09027,CN1CC(n2cc(-c3ccc(-c4nnc5cncc(OCCc6ccncc6)n45)nn3)cn2)C1,OSYWOZPGQJPLNJ-UHFFFAOYSA-N,2,1,0.444,53,44,454.498,1.948,6,0.364,0.69,1.0,0.20504077856212735,0.024724145020903296,0.03245151120553766,0.04063292440545542,0.07571233979850592
EOS-2-09028,CCc1ccc(-c2nnc3cncc(-c4cncc(-c5ccc6cccc(F)c6c5)c4)n23)cc1,JIMDJAUDNFWOIZ-UHFFFAOYSA-N,2,1,0.364,69,987,445.501,6.375,6,0.316,0.77,1.0,0.4077599204989377,0.5473408265369063,0.9422589267356589,0.9446833664587759,0.7105107600575697
EOS-2-09029,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)nn5)n34)cc2)n1,RHMDTURBWXRXTH-UHFFFAOYSA-N,2,1,0.311,38,270,445.49,4.019,6,0.404,0.72,1.0,0.05690151463230759,0.06490302241107532,0.3338873278048112,0.30691864848194095,0.19065262833253377
EOS-2-09030,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)n(C)n1,XIDUCZLJIHXNLR-UHFFFAOYSA-N,2,1,0.312,42,725,445.49,4.019,6,0.404,0.74,1.0,0.08881330957439518,0.08273079295456102,0.2636985127818518,0.28236584195737097,0.17940211431704473
EOS-2-09031,Cn1[nH]cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cc2)c1=N,NZNSDEACFNQORH-UHFFFAOYSA-N,2,1,0.283,32,299,445.49,3.728,6,0.429,0.65,1.0,0.0412497429922555,0.029530189843053938,0.44455486258652593,0.3956976903570694,0.22775812144472618
EOS-2-09032,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cc2)cn1,GVYFPZIJWPQPEZ-UHFFFAOYSA-N,2,1,0.313,38,787,445.49,4.019,6,0.404,0.79,1.0,0.1166986498526489,0.0793297238023439,0.3934617229799191,0.367443972311699,0.23923351723665273
EOS-2-09033,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(-c2ccnn2C)n1,JWCWWMGNKRNBSV-UHFFFAOYSA-N,2,1,0.3,38,787,445.49,4.019,6,0.404,0.68,1.0,0.10856007127681447,0.04225207319580564,0.2897248303748886,0.27947022136933725,0.1800017990542115
EOS-2-09034,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5cccnc5)n34)cc2)nn1,HCAZYZCNSSUWEE-UHFFFAOYSA-N,2,1,0.293,9,725,445.49,4.019,6,0.404,0.7,1.0,0.03673497361387156,0.038456925502021795,0.3671955314920156,0.3478856829552464,0.19756827839078883
EOS-2-09035,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)ccn2)n(C)n1,IZJDVTRSZZQFCS-UHFFFAOYSA-N,2,1,0.316,38,787,445.49,4.019,6,0.404,0.66,1.0,0.07353848262627648,0.038465492426838464,0.20700260434514425,0.22927660886848056,0.13707079706668493
EOS-2-09036,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cc2)n1,NAALPUMVCFXLAM-UHFFFAOYSA-N,2,1,0.304,38,193,445.49,4.019,6,0.404,0.75,1.0,0.11385443081351518,0.07236481392639298,0.3299122746898773,0.310139812213008,0.20656783291069838
EOS-2-09037,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)c2)n1C,WPELUFAIXZBKFV-UHFFFAOYSA-N,2,1,0.371,9,50,445.49,4.019,6,0.404,0.73,1.0,0.08405866630114454,0.032511479679254336,0.27091186347748614,0.2881570831334384,0.16890977314783084
EOS-2-09038,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cn(C)nn5)n4)n23)nc1,RSCWINIAKGMOFW-UHFFFAOYSA-N,2,1,0.289,76,387,445.49,4.019,6,0.404,0.66,0.903,0.016568432595435542,0.01845315605510246,0.30049345486944007,0.3131296689740251,0.16216117812350078
EOS-2-09039,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)cn1,DBCRDLGFJQYFNG-UHFFFAOYSA-N,2,1,0.316,25,791,445.49,4.019,6,0.404,0.84,1.0,0.07161092454252621,0.057030018504557606,0.38611986841203483,0.4019344116236036,0.22917380577068058
EOS-2-09040,Cc1ncc(-c2cn(C)nn2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,JEHHLBSPXRSSIN-UHFFFAOYSA-N,2,1,0.26,30,301,445.49,4.019,6,0.404,0.66,0.886,0.029178945925570555,0.014015489000068536,0.3445360153519293,0.3541738057706806,0.18547606401206224
EOS-2-09041,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)c5)n34)cc2)nn1,PBKUNODZWXNZBT-UHFFFAOYSA-N,2,1,0.316,9,598,445.49,4.019,6,0.404,0.74,1.0,0.06758446987869235,0.03847405935165513,0.3597508738263313,0.34789424988006307,0.20342591323418546
EOS-2-09042,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cn5)n34)cc2)cn1,PXEKEDGLJKTLEP-UHFFFAOYSA-N,2,1,0.303,38,714,445.49,4.019,6,0.404,0.71,1.0,0.04268898636145569,0.057038585429374275,0.47274004523336305,0.38986361455691865,0.24058280789527792
EOS-2-09043,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4)n23)c(-c2ccccc2)n1,KAGRTPCGIQVLBQ-UHFFFAOYSA-N,2,1,0.316,42,321,445.49,4.019,6,0.404,0.73,0.76,0.12748440819683365,0.032520046604071005,0.2138904118977452,0.21741141799739566,0.14782657117401138
EOS-2-09044,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6)cn5)n34)cc2)n(C)n1,IHEKJEBMWLEZGK-UHFFFAOYSA-N,2,1,0.377,38,594,445.49,4.019,6,0.404,0.71,1.0,0.07161949146734288,0.06491158933589199,0.20701117126996094,0.22928517579329724,0.14320685696662325
EOS-2-09045,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)n1C,JZDNIDOIVLRSNF-UHFFFAOYSA-N,2,1,0.274,70,957,445.49,4.019,6,0.404,0.77,0.998,0.08406723322596121,0.045867315468439446,0.36359742306901516,0.32221060927969297,0.20393564526077718
EOS-2-09046,CCn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)nn1,XKFIRWUSCQRXHR-UHFFFAOYSA-N,2,1,0.316,9,98,445.49,4.194,6,0.392,0.78,1.0,0.06223870879309163,0.035492769515454735,0.422452196559523,0.427583784524707,0.2369418648481941
EOS-2-09047,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nn2)nn1C,GOEUIIHEYHZOOL-UHFFFAOYSA-N,2,1,0.297,38,270,445.49,4.019,6,0.404,0.76,1.0,0.05332910698375711,0.06492015626070866,0.322647522445343,0.32526900143924337,0.19154144678226304
EOS-2-09048,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5cccnc5)n34)cc2)cn1,DPZPGDMZYCKXEY-UHFFFAOYSA-N,2,1,0.303,42,725,445.49,4.019,6,0.404,0.73,1.0,0.04125830991707217,0.053192036186690425,0.4185456788431225,0.37706462888081693,0.2225151634569255
EOS-2-09049,Cc1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)n2)n1C,HFXMAWZACKFIOY-UHFFFAOYSA-N,2,1,0.311,42,167,445.49,4.019,6,0.404,0.67,1.0,0.1826982386402577,0.06492872318552532,0.33716846000959494,0.33188266739771094,0.2291695223082722
EOS-2-09050,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4ncc(-c5cnn(C)c5)cn4)n23)c1,RREVWBNUUIQOHF-UHFFFAOYSA-N,2,1,0.272,42,106,445.49,4.019,6,0.404,0.76,1.0,0.058589198821191145,0.029538756767870607,0.33717702693441165,0.31907511479679257,0.18609502433006647
EOS-2-09051,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)n1C,DYWPZXOYUSMTOP-UHFFFAOYSA-N,2,1,0.315,32,191,445.49,4.019,6,0.404,0.74,1.0,0.152337057089987,0.0827393598793777,0.3005020217942567,0.2617109862243849,0.19932235624700156
EOS-2-09052,Cc1nn(C)c(-c2ccccn2)c1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,XVGQGSIWRUYNAO-UHFFFAOYSA-N,2,1,0.291,42,171,445.49,4.019,6,0.404,0.66,1.0,0.05172709204304023,0.038482626276471796,0.2637070797066685,0.28816565005825506,0.1605206120211089
EOS-2-09053,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)nn1C,WIWIOPUKLOSCRQ-UHFFFAOYSA-N,2,1,0.318,38,270,445.49,4.019,6,0.404,0.74,1.0,0.04700671646905627,0.06082516619834144,0.2751524912617367,0.2704835172366527,0.1633669727914468
EOS-2-09054,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cn5)n34)cc2)n1,ZGJXOVZXKBEVOI-UHFFFAOYSA-N,2,1,0.316,38,532,445.49,4.019,6,0.404,0.77,1.0,0.07980090466726064,0.06083373312315811,0.3189808786238092,0.29419676512918924,0.1884530703858543
EOS-2-09055,Cc1ncc(-c2nnc3cncc(-c4cccc(-c5cn(C)nn5)c4)n23)c(-c2ccccc2)n1,RIPIKMZZBQRQFV-UHFFFAOYSA-N,2,1,0.313,30,764,445.49,4.019,6,0.404,0.72,1.0,0.04126687684188884,0.029547323692687272,0.26371564663148517,0.2911640737440888,0.15642348022753752
EOS-2-09056,Cc1c(-c2nnnn2C)ccnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,ZNARDOVFEPGDGS-UHFFFAOYSA-N,2,1,0.338,25,791,445.49,4.019,6,0.404,0.71,1.0,0.09368788979507915,0.10177506682201357,0.21052361044479473,0.3004249194709067,0.17660287163319854
EOS-2-09057,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)cc2)n1,BYICTHIVMJWVKR-UHFFFAOYSA-N,2,1,0.295,42,762,445.49,4.019,6,0.404,0.67,1.0,0.11670721677746557,0.049354053868823244,0.34454458227674595,0.30043348639572337,0.2027598348296895
EOS-2-09058,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)n1C,VAMZORMJJHFNTC-UHFFFAOYSA-N,2,1,0.307,42,170,445.49,4.019,6,0.404,0.77,1.0,0.1303971626345007,0.07237338085120965,0.4516996778836269,0.38632547460763483,0.26019892399424305
EOS-2-09059,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5)n34)cc2)nn1,FBPGVKCASCJHKK-UHFFFAOYSA-N,2,1,0.319,9,98,445.49,4.019,6,0.404,0.74,1.0,0.07354704955109313,0.064937290110342,0.4727486121581797,0.4275923514495237,0.25970632581728464
EOS-2-09060,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nc2)cn1,WVLHCODXEVKELE-UHFFFAOYSA-N,2,1,0.291,42,723,445.49,4.194,6,0.392,0.69,1.0,0.07162805839215955,0.0355013364402714,0.40086354602152013,0.3640343362346652,0.21800681927215407
EOS-2-09061,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)cn5)n34)cc2)n1,PFKFMWPERJYRGF-UHFFFAOYSA-N,2,1,0.295,38,532,445.49,4.019,6,0.404,0.72,1.0,0.08407580015077788,0.0685011308340758,0.3789150846412172,0.3284473305462271,0.21498483654307451
EOS-2-09062,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cc2)nn1,JRCLTZTUUJPTNW-UHFFFAOYSA-N,2,1,0.306,9,98,445.49,4.019,6,0.404,0.76,1.0,0.08190836817216092,0.06850969775889247,0.3749828661503667,0.35739496950174765,0.22069897539579195
EOS-2-09063,Cc1c(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cnnc1-c1nccn1C,XVWNFPZSPYPVCP-UHFFFAOYSA-N,2,1,0.296,38,369,445.49,4.019,6,0.404,0.66,1.0,0.06964053183469261,0.02955589061750394,0.24240113768761565,0.25575697347680076,0.14933863340415324
EOS-2-09064,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)c5)n34)cc2)cn1,LKGWCTUEVJQZPN-UHFFFAOYSA-N,2,1,0.312,25,791,445.49,4.019,6,0.404,0.76,1.0,0.0735556164759098,0.07238194777602631,0.3897950791583853,0.38320711397436774,0.22973493934617228
EOS-2-09065,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)n1C,UWWWAMGEBBSEHA-UHFFFAOYSA-N,2,1,0.338,38,983,445.49,4.019,6,0.404,0.68,1.0,0.14646014666575286,0.08930162428894524,0.3934702899047358,0.3318912343225276,0.24028082379549037
EOS-2-09066,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cn(C)nn6)c5)n34)cc2)cn1,VUCDOLOGSZVAIS-UHFFFAOYSA-N,2,1,0.313,9,764,445.49,4.019,6,0.404,0.67,1.0,0.034036392296621205,0.029564457542320607,0.414819066547872,0.38011445411555067,0.21463359262559112
EOS-2-09067,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cn(C)nc5-c5ccccc5)n34)nn2)cn1,OLPMRKDRSWEJNE-UHFFFAOYSA-N,2,1,0.299,30,541,445.49,4.019,6,0.404,0.7,1.0,0.03535569871838805,0.024732711945719965,0.2709204304023028,0.2823744088821877,0.15334581248714962
EOS-2-09068,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)n1C,NOIPTUGMJDONGP-UHFFFAOYSA-N,2,1,0.284,30,301,445.49,4.019,6,0.404,0.72,1.0,0.055008224247824,0.038491193201288465,0.17674422589267358,0.2230398876019464,0.12332088273593311
EOS-2-09069,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)n1C,UVYGICUGJIQUIH-UHFFFAOYSA-N,2,1,0.315,38,608,445.49,4.019,6,0.404,0.75,1.0,0.15234562401480364,0.08931019121376191,0.329920841614694,0.27327633472688645,0.21121324789253648
EOS-2-09070,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnn(C)c6)c5)n34)cc2)cn1,ZDSNZRJLXVSRCC-UHFFFAOYSA-N,2,1,0.292,9,303,445.49,4.019,6,0.404,0.58,1.0,0.04856589678568981,0.06084230004797478,0.5414981838119388,0.47451339867041326,0.2813549448290042
EOS-2-09071,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)c(-c2ccccc2)n1,NOERSJLQPRZNAE-UHFFFAOYSA-N,2,1,0.316,30,321,445.49,4.019,6,0.404,0.7,0.998,0.08408436707559454,0.053200603111507094,0.26752792817490234,0.26465800836131864,0.16736772668083066
EOS-2-09072,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6n[nH]c(C)n6)cc5)n34)cc2)cn1,KNMVVIVIHXUCDL-UHFFFAOYSA-N,2,1,0.307,9,98,445.49,4.317,6,0.43,0.78,1.0,0.14957850729901995,0.11454835172366527,0.42246076348433964,0.36404290315948185,0.2626576314166267
EOS-2-09073,COc1nc(-c2nnc3cncc(OCCc4cn(C)nc4C)n23)ccc1-c1ccnn1C,USDYWHTVIPGPOS-UHFFFAOYSA-N,2,1,0.429,31,460,445.487,2.259,5,0.375,0.59,1.0,0.2408419573709821,0.06085086697279145,0.04687821259680625,0.015360496196285382,0.09098288328421629
EOS-2-09074,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)cc1,GEHPEYGIZLBYQU-UHFFFAOYSA-N,2,1,0.462,77,933,445.486,4.618,6,0.372,0.73,1.0,0.39920156260708656,0.2140703173188952,0.6361198684120348,0.6055787814406141,0.46374263244465763
EOS-2-09075,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cc1,QBFYLSXRZXNUGU-UHFFFAOYSA-N,2,1,0.361,30,668,445.486,4.715,6,0.382,0.76,0.999,0.025606538277020082,0.06851826468370914,0.662497429922555,0.6055873483654307,0.34055239531217874
EOS-2-09076,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)o6)nc5)n34)cc2)cn1,YWTNGHJGYYTUSL-UHFFFAOYSA-N,2,1,0.312,69,645,445.486,5.187,6,0.369,0.78,1.0,0.16606983757110547,0.14227948735521898,0.6184977040641492,0.5256922075251867,0.36313480912891505
EOS-2-09077,c1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)nc1,PJECKFSLTFKCPM-UHFFFAOYSA-N,2,1,0.578,77,897,445.486,4.418,6,0.375,0.54,1.0,0.8286872044410938,0.7652833938729354,0.47961928586114727,0.48955691864848194,0.6407867007059146
EOS-2-09078,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)nc5)n34)cc2)cc1,NVTSYAAACSXHBX-UHFFFAOYSA-N,2,1,0.561,12,285,445.486,4.618,6,0.372,0.77,1.0,0.47811150709341377,0.30626756219587414,0.6814389006922075,0.6440014392433692,0.5274548523062161
EOS-2-09079,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6ccccc6)n5)n34)cc2)cc1,IBHBLKFMGRTOAE-UHFFFAOYSA-N,2,1,0.489,12,285,445.486,4.618,6,0.372,0.78,1.0,0.370022616681516,0.31137344938660816,0.46940751147967924,0.5160715509560688,0.416718782125968
EOS-2-09080,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cc2)c1,PJUZSCODLBNFNI-UHFFFAOYSA-N,2,1,0.518,77,603,445.486,4.618,6,0.372,0.68,1.0,0.6132804468507984,0.42138989788225617,0.7312127338770475,0.6757675964635734,0.6104126687684188
EOS-2-09081,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5cccc(-c6ccccc6)n5)n34)cc2)n1,BFLZLMAZSGOUAP-UHFFFAOYSA-N,2,1,0.407,12,285,445.486,5.046,6,0.369,0.79,1.0,0.497652662600233,0.3456668494277294,0.5874597354533616,0.5329740936193544,0.4909383352751696
EOS-2-09082,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,AFWJVJPNCUIHBO-UHFFFAOYSA-N,2,1,0.35,93,107,445.486,4.919,6,0.405,0.8,1.0,0.2751781920361867,0.11455691864848194,0.7002175998903434,0.6582482352134877,0.43705023644712493
EOS-2-09083,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccc6C)cc5)n34)cc2)o1,YPHSCJSVAGGXTH-UHFFFAOYSA-N,2,1,0.3,69,98,445.486,5.187,6,0.369,0.7,1.0,0.1304057295593174,0.12090500993763278,0.5939106298403125,0.5429545610307724,0.34704398259200875
EOS-2-09084,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccc(C)o6)n5)n34)cc2)n1,PSWVMOSVAWPUSA-UHFFFAOYSA-N,2,1,0.322,38,126,445.486,5.187,6,0.369,0.71,1.0,0.11920875882393256,0.07580015077787677,0.5073846891919677,0.4430984853676924,0.2863730210403674
EOS-2-09085,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cn2)cc1,LUVKLIBUSJMGNQ-UHFFFAOYSA-N,2,1,0.494,77,363,445.486,4.618,6,0.372,0.78,1.0,0.38623980535946817,0.239942430265232,0.648284901651703,0.6150280995133987,0.4723738091974504
EOS-2-09086,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cc2)nc1,CWEUBELINMVMPU-UHFFFAOYSA-N,2,1,0.57,77,120,445.486,4.618,6,0.372,0.73,1.0,0.4167294907819889,0.35512473442533066,0.6394010006168186,0.5905523953121787,0.5004519052840792
EOS-2-09087,c1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1,QIXHKJRMYRIARM-UHFFFAOYSA-N,2,1,0.478,12,427,445.486,4.822,6,0.395,0.63,1.0,0.687281543417175,0.49726715098348295,0.6361284353368515,0.6150366664382153,0.6089284490439312
EOS-2-09088,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)o5)cn4)n23)c(-c2ccccc2)n1,SRBFWYHRJAGGDJ-UHFFFAOYSA-N,2,1,0.315,30,371,445.486,5.187,6,0.369,0.62,1.0,0.11671578370228222,0.09558118017956274,0.44087108491535876,0.39888458638886987,0.2630131587965184
EOS-2-09089,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)cn2)cn1,AJZSAGHVEHYAIR-UHFFFAOYSA-N,2,1,0.388,17,960,445.486,5.046,6,0.369,0.76,1.0,0.0840929340004112,0.08274792680419436,0.6894746761702419,0.6440100061681858,0.37508138578575834
EOS-2-09090,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)nc2)cc1,VQAFZESLPZGKKA-UHFFFAOYSA-N,2,1,0.438,77,177,445.486,4.618,6,0.372,0.81,1.0,0.32787334658351036,0.1538191350832705,0.6394095675416352,0.6208022068398328,0.4354760640120622
EOS-2-09091,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,QHPLNMYUBXVDQQ-UHFFFAOYSA-N,2,1,0.427,12,285,445.486,5.046,6,0.369,0.79,1.0,0.5514700842985402,0.35513330135014737,0.6005071619491468,0.5621873072441916,0.5173244637105064
EOS-2-09092,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)o6)cc5)n34)cc2)cn1,WEMFIFLLBHFNHA-UHFFFAOYSA-N,2,1,0.31,69,645,445.486,5.187,6,0.369,0.68,1.0,0.1883695428688918,0.15750291275443767,0.6034970187101638,0.512661914879035,0.36550784730313207
EOS-2-09093,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)cc1,IRYWPZHJEJRFSI-UHFFFAOYSA-N,2,1,0.554,12,285,445.486,4.618,6,0.372,0.71,1.0,0.3399955451990953,0.29634706325817284,0.6329758070043178,0.6119697073538483,0.4703220307038585
EOS-2-09094,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)nc1,JFTNMSDTHMCGJV-UHFFFAOYSA-N,2,1,0.531,77,603,445.486,4.618,6,0.372,0.72,1.0,0.6535621273387705,0.41698649852648895,0.6761102734562402,0.615045233363032,0.5904260331711328
EOS-2-09095,Cn1cc(-c2cccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cn1,MZQIVVYISRWXOZ-UHFFFAOYSA-N,2,1,0.434,12,285,445.486,5.046,6,0.369,0.82,1.0,0.44923240353642657,0.3404495922143787,0.6394181344664519,0.5994534301966966,0.5071383901034884
EOS-2-09096,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cc5)n34)cc2)nc1,MHEGUBHCYYAADY-UHFFFAOYSA-N,2,1,0.5,77,933,445.486,4.618,6,0.372,0.76,1.0,0.5846497841134947,0.33554931121924475,0.7312213008018642,0.6669522308272222,0.5795931567404564
EOS-2-09097,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cc2)cc1,WESZSSUQGFKLTL-UHFFFAOYSA-N,2,1,0.575,12,285,445.486,4.618,6,0.372,0.79,1.0,0.45624014803646085,0.2963556301829895,0.6244174491124665,0.6023490507847303,0.4948405695291618
EOS-2-09098,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cnc6ncccc6c5)n34)cc2)n1,MCYSWHVBTVHZAY-UHFFFAOYSA-N,2,1,0.516,77,120,445.486,4.684,6,0.38,0.69,1.0,0.6931413199917758,0.4788910972517305,0.5717479953395929,0.5126704818038517,0.5641127235967376
EOS-2-09099,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)cn2)cc1,KEQDHGFXOBWZIR-UHFFFAOYSA-N,2,1,0.529,12,285,445.486,4.822,6,0.395,0.73,1.0,0.7021708587485436,0.46133746830237815,0.7312298677266809,0.6987440888218766,0.6483705708998697
EOS-2-09100,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cn1,IWFYUJSYKUVLDT-UHFFFAOYSA-N,2,1,0.33,93,668,445.486,4.715,6,0.382,0.79,1.0,0.09843396614351313,0.1281097937084504,0.6676204509629223,0.5994619971215133,0.3734065519840998
EOS-2-09101,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccccc5)cn4)n23)cc1,NCAOYZOKZKIMKZ-UHFFFAOYSA-N,2,1,0.372,30,960,445.486,5.046,6,0.369,0.84,1.0,0.2354190939620314,0.09230004797477898,0.597148927421013,0.5590432458364746,0.3709778287985745
EOS-2-09102,Cn1cnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,KCUBVRZRMDZWBU-UHFFFAOYSA-N,2,1,0.553,12,285,445.486,5.046,6,0.369,0.79,1.0,0.4730141868274964,0.2963641971078062,0.6067610170653143,0.6177095469810157,0.49846223699540815
EOS-2-09103,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,CQRMNSMYIYHKOT-UHFFFAOYSA-N,2,1,0.427,12,285,445.486,5.046,6,0.369,0.76,1.0,0.41218902062915497,0.2650435199780687,0.664921869645672,0.6150538002878487,0.4893020526351861
EOS-2-09104,COc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)c1,RKGNFVHIDYKPIA-UHFFFAOYSA-N,2,1,0.35,93,774,445.486,4.715,6,0.382,0.77,1.0,0.05691008155712426,0.11456548557329861,0.6569117949420876,0.6177181139058323,0.3615263689945857
EOS-2-09105,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)o1,YNAJHWNXRWIIRI-UHFFFAOYSA-N,2,1,0.417,12,285,445.482,6.214,6,0.314,0.78,1.0,0.5648944554862586,0.4169950654513056,0.8063103968199575,0.7523302035501337,0.6351325303269139
EOS-2-09106,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ocnc5-c5ccccc5)n34)cc2)cc1,OGENFIBZQLFSNN-UHFFFAOYSA-N,2,1,0.532,21,47,445.482,5.692,6,0.328,0.73,1.0,0.6842231512576246,0.5150949215269687,0.6923188952093756,0.7042012199300939,0.6489595469810158
EOS-2-09107,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,RKKIAQHPWAJJEZ-UHFFFAOYSA-N,2,1,0.41,21,958,445.482,5.789,6,0.334,0.7,1.0,0.3514923583030635,0.13486909738880132,0.8566839147419643,0.8066530738126242,0.5374246110616133
EOS-2-09108,COc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,CMCLHYBXWQXHNS-UHFFFAOYSA-N,2,1,0.384,21,810,445.482,5.789,6,0.334,0.81,1.0,0.40341648961688714,0.1498526488931533,0.8440905352614625,0.80023644712494,0.5493990302241107
EOS-2-09109,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(O)cc6)cc5)n34)cc2)o1,BJIYEYYIXLTTQI-UHFFFAOYSA-N,2,1,0.316,21,958,445.482,5.794,6,0.369,0.69,1.0,0.3328764306764444,0.26505208690288534,0.837656774724145,0.7981289836200397,0.5584285689808787
EOS-2-09110,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4nc5ccccc5s4)n23)nc1,PJWZEDNMTGTZJE-UHFFFAOYSA-N,2,1,0.417,6,891,454.519,4.084,6,0.387,0.77,1.0,0.20219655952299362,0.23425399218696458,0.1573829758070043,0.1364968131039682,0.18258258515523268
EOS-2-09111,Cn1c(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cnc1-c1ccsc1,ASZNGKXCHQBBAJ-UHFFFAOYSA-N,2,1,0.433,40,763,454.519,4.222,6,0.405,0.59,1.0,0.432741073264341,0.3980707285312864,0.3262370639435268,0.2942053320540059,0.36281354944829003
EOS-2-09112,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccsc5)n34)c2)c2c1CCO2,RKPBSBGEFNYXKU-UHFFFAOYSA-N,2,1,0.392,18,160,445.479,4.568,6,0.395,0.66,1.0,0.6564320471523541,0.5243043657048866,0.6270217942567337,0.6177266808306491,0.6063712219861559
EOS-2-09113,Cn1ncnc1-c1cncc(-c2nnc3cncc(OCCc4csc5nncn45)n23)c1,KUCBNLXNHREHNV-UHFFFAOYSA-N,2,1,0.414,92,779,445.472,1.707,6,0.376,0.59,1.0,0.3515009252278802,0.22435062709889658,0.018076211363169076,0.020954698101569462,0.15372061544787882
EOS-2-09114,COc1nc(-c2nnc3cncc(OCc4nc(C#N)cs4)n23)ccc1-c1ccnn1C,FSOLLEXKDZHDLD-UHFFFAOYSA-N,2,1,0.406,49,122,445.468,2.503,5,0.387,0.57,1.0,0.2461705846069495,0.22951648276334727,0.09260845726817901,0.04842025906380645,0.15417894592557055
EOS-2-09115,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cc1,KCYVIQBVKVVRQU-UHFFFAOYSA-N,2,1,0.6,21,452,454.533,7.226,6,0.276,0.83,1.0,0.7884569255020218,0.57538037146186,0.9292971694880405,0.9249623055308067,0.8045241929956823
EOS-2-09116,O=[N+]([O-])c1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)cc1,QRNXFXUAPRGJPG-UHFFFAOYSA-N,2,1,0.662,35,56,445.464,3.84,5,0.274,0.74,1.0,0.65047803440477,0.31138201631142487,0.3005105887190734,0.12994311561921731,0.3480784387636214
EOS-2-09117,CCc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,PTPKKYQEWYDKBN-UHFFFAOYSA-N,2,1,0.337,69,695,454.537,6.145,6,0.313,0.7,1.0,0.15235419093962033,0.15382770200808718,0.7578130354328011,0.7284456171612638,0.44811013638544306
EOS-2-09118,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)c(C)n1,CYIHODUBJDQYJU-UHFFFAOYSA-N,2,1,0.416,31,194,445.462,2.929,5,0.352,0.59,1.0,0.3493934617229799,0.195145980398876,0.157391542731821,0.12373209512713317,0.2064157699952025
EOS-2-09119,CCc1nc(-c2nnc3cncc(OCCc4cnncc4F)n23)ccc1-c1nccn1C,ZUKMTODHQKFKHH-UHFFFAOYSA-N,2,1,0.42,31,466,445.462,2.7,5,0.376,0.61,0.384,0.5152062915495854,0.452393598793777,0.10757487492289768,0.09694332122541292,0.2930295216229183
EOS-2-09120,CCc1nc(-c2cnn(CC)c2)cc(-c2nnc3cncc(OCc4cnccc4F)n23)n1,ZVIACYMVYYWKQZ-UHFFFAOYSA-N,2,1,0.364,92,711,445.462,3.14,5,0.376,0.7,1.0,0.32788191350832707,0.21407888424371188,0.13296724007950106,0.11216674662463162,0.19677369611404294
EOS-2-09121,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nn2C)c(C)n1,AYWFTRMGUNETJU-UHFFFAOYSA-N,2,1,0.435,31,569,445.462,2.754,5,0.367,0.69,1.0,0.3884329381125351,0.2804982523473374,0.1512661914879035,0.10968233842779795,0.23246993009389347
EOS-2-09122,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ncc(F)c(C)n4)n23)ccn1,OIOLTBOCBVVYAV-UHFFFAOYSA-N,2,1,0.43,75,624,445.462,2.929,5,0.376,0.6,1.0,0.4655352614625454,0.32160235761770956,0.10233191693509698,0.0802635186073607,0.2424332636556782
EOS-2-09123,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)nc(C)n1,CXUXVFRUILWKEG-UHFFFAOYSA-N,2,1,0.38,31,330,445.462,3.195,5,0.392,0.59,0.998,0.340004112123912,0.23995099719004867,0.15127475841272017,0.09903365088067988,0.20756587965184017
EOS-2-09124,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cc2)cn1,UMZFKILAOMWJHN-UHFFFAOYSA-N,2,1,0.347,69,645,445.461,5.116,6,0.351,0.73,1.0,0.2835480775820711,0.3980792954561031,0.8818107052292509,0.8831385785758344,0.6116441642108149
EOS-2-09125,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,MLLPAOFEVUFSPD-UHFFFAOYSA-N,2,1,0.37,93,107,445.461,5.116,6,0.375,0.74,1.0,0.3792491947090672,0.46550099376327875,0.855270372147214,0.8803029264615174,0.6450808717702694
EOS-2-09126,Fc1ccc(-c2ncncc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc1,CBAUTYMHMRZMPY-UHFFFAOYSA-N,2,1,0.309,30,737,445.461,5.116,6,0.375,0.79,0.978,0.28355664450688783,0.3743917483380166,0.7602032074566514,0.8214310191213762,0.559895654855733
EOS-2-09127,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)c1,YPCVIOXNQDDMJH-UHFFFAOYSA-N,2,1,0.333,69,645,445.461,5.116,6,0.375,0.75,1.0,0.3304948255774107,0.4302994996915907,0.8854345144267014,0.8912942910013022,0.6343807826742514
EOS-2-09128,Fc1cccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)ncn2)c1,YFTLUFIZJAHGDJ-UHFFFAOYSA-N,2,1,0.321,30,737,445.461,5.116,6,0.375,0.77,0.999,0.18270680556507435,0.3307346994722774,0.7535381399492838,0.8087262696182578,0.5189264786512233
EOS-2-09129,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)nc1,ZFDPDJZMULZVRM-UHFFFAOYSA-N,2,1,0.325,30,737,445.461,5.116,6,0.375,0.78,1.0,0.26739085737783563,0.360016448495648,0.7363014872181481,0.7772770886162703,0.5352464704269755
EOS-2-09130,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)ccn1,FTUGJTHCGHOTKM-UHFFFAOYSA-N,2,1,0.338,69,479,445.461,5.116,6,0.351,0.79,1.0,0.29985950243300663,0.4257504626139401,0.8127270235076417,0.8154684394489754,0.588451357000891
EOS-2-09131,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cn1,WUPITRQMRRZLEP-UHFFFAOYSA-N,2,1,0.406,93,651,445.461,5.116,6,0.351,0.77,1.0,0.3305033925022274,0.4481958056336098,0.7917209238571722,0.8194349256390926,0.5974637619080255
EOS-2-09132,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2)cn1,OQYKYCKZLZOXRO-UHFFFAOYSA-N,2,1,0.312,30,737,445.461,5.116,6,0.351,0.78,1.0,0.23809197450483174,0.31659927352477557,0.8164622027277089,0.8413748200945789,0.5531320677129737
EOS-2-09133,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)nc1,UEXXSMXZDBNHLC-UHFFFAOYSA-N,2,1,0.347,32,93,445.461,5.116,6,0.375,0.78,1.0,0.3129411966280584,0.407494345829621,0.7414587759577822,0.7724796107189363,0.5585934822835995
EOS-2-09134,Fc1cc(-c2nnc3cncc(-c4cnnc(-c5ccccn5)c4)n23)ccc1-c1ccccc1,HUNOAPTXIZZEJK-UHFFFAOYSA-N,2,1,0.333,93,220,445.461,5.116,6,0.375,0.68,1.0,0.3178843122472757,0.4257590295387568,0.787497429922555,0.827187992598177,0.5895821910766911
EOS-2-09135,Fc1cccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,BERRZGKLCRZQJS-UHFFFAOYSA-N,2,1,0.351,30,93,445.461,5.116,6,0.375,0.78,1.0,0.2835652114317045,0.41231752450140496,0.7154667260640121,0.757504626139401,0.5422135220341306
EOS-2-09136,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)n1,GGGRFMGXHDDVHU-UHFFFAOYSA-N,2,1,0.356,30,93,445.461,5.116,6,0.351,0.67,1.0,0.302429579878007,0.3838667671852512,0.7260126105133301,0.7548146117469673,0.5417808923308889
EOS-2-09137,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)cc1,LTKAKLZGNQUGQK-UHFFFAOYSA-N,2,1,0.351,93,737,445.461,5.116,6,0.375,0.82,1.0,0.29471934754300594,0.41700363237612226,0.7488434651497499,0.8132667397710918,0.5684582962099924
EOS-2-09138,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nc2)c1,UHLYWQJIZJJUFS-UHFFFAOYSA-N,2,1,0.404,32,20,445.461,5.116,6,0.375,0.81,1.0,0.2808237954903708,0.4170121993009389,0.8024724145020903,0.8293382907271606,0.5824116750051401
EOS-2-09139,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)ncc1-c1cncnc1,YAMRPNJRPOKSTN-UHFFFAOYSA-N,2,1,0.375,93,696,445.461,5.116,6,0.375,0.75,0.999,0.33288499760126106,0.42576759646357343,0.8424713864711123,0.8654564457542321,0.6166451065725448
EOS-2-09140,Fc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)ccn2)ccn1,IXWXHPKGPLEQEP-UHFFFAOYSA-N,2,1,0.325,69,30,445.461,5.116,6,0.351,0.79,1.0,0.32266465629497637,0.4170207662257556,0.852306216160647,0.8538568295524639,0.6114621170584608
EOS-2-09141,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,PSYSPDJRERMVAG-UHFFFAOYSA-N,2,1,0.352,69,645,445.461,5.116,6,0.351,0.78,1.0,0.28357377835652114,0.4170293331505723,0.887687615653485,0.8860598999383181,0.6185876567747242
EOS-2-09142,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cc5)n34)cc2)n1,WRSGOJAEIHJOHA-UHFFFAOYSA-N,2,1,0.361,69,898,445.461,5.116,6,0.351,0.55,1.0,0.3353437050236447,0.41703790007538893,0.7740987595092865,0.7749211842916867,0.5753503872250018
EOS-2-09143,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cc5)n34)cn2)cc1,YADUSLPQJFHCQU-UHFFFAOYSA-N,2,1,0.386,69,484,445.461,5.116,6,0.375,0.72,1.0,0.22979062435748063,0.44820437255842643,0.8309917072167775,0.8469090535261462,0.5889739394147077
EOS-2-09144,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3cccc(-c4cncnc4)c3)n12,PAIJHKSABHMKKS-UHFFFAOYSA-N,2,1,0.325,69,696,445.461,5.116,6,0.375,0.74,1.0,0.307509766294291,0.44362106778150917,0.845598314029196,0.8590312521417311,0.6139401000616818
EOS-2-09145,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)ccn1,ZURUKYANIQODHV-UHFFFAOYSA-N,2,1,0.304,30,737,445.461,5.116,6,0.351,0.78,0.999,0.232386402576931,0.3113905832362415,0.7856555410869714,0.8087348365430745,0.5345418408608046
EOS-2-09146,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cnc1-c1ccccn1,QDUXVNKQSUGVEB-UHFFFAOYSA-N,2,1,0.326,30,737,445.461,5.116,6,0.375,0.7,0.965,0.23810054142964843,0.355141868274964,0.6923274621341923,0.7444657665684326,0.5075089096018094
EOS-2-09147,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)nc1,GPYLTTBQJAVDDM-UHFFFAOYSA-N,2,1,0.397,93,594,445.461,5.116,6,0.375,0.75,1.0,0.3792577616338839,0.48292611884038106,0.7488520320745665,0.7959015831677061,0.6017343739291343
EOS-2-09148,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1,FLFKEXXZZXSAMH-UHFFFAOYSA-N,2,1,0.373,93,479,445.461,5.116,6,0.375,0.79,1.0,0.3654735796038654,0.4829346857651977,0.7696696593790693,0.7981375505448565,0.6040538688232472
EOS-2-09149,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)nc2)cc1,RDDHIVKGVLCEMY-UHFFFAOYSA-N,2,1,0.36,32,479,445.461,5.116,6,0.375,0.69,0.999,0.28623809197450484,0.4393204715235419,0.702779110410527,0.7601261051333014,0.5471159447604688
EOS-2-09150,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)nc1,BTAOYMVXXYPLEA-UHFFFAOYSA-N,2,1,0.386,93,651,445.461,5.116,6,0.375,0.81,1.0,0.3839781372078679,0.43030806661640736,0.7154752929888287,0.7575131930642177,0.5718186724693305
EOS-2-09151,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nc2)c1,JJMJRGUJNPLRIU-UHFFFAOYSA-N,2,1,0.337,30,371,445.461,5.116,6,0.375,0.7,0.992,0.27518675896100336,0.3551504351997807,0.6894832430950586,0.7444743334932493,0.516073692687273
EOS-2-09152,Fc1cc(-c2ccccn2)ccc1-c1cncc2nnc(-c3cccc(-c4cnccn4)c3)n12,KWZRBQJLMRZACL-UHFFFAOYSA-N,2,1,0.35,69,484,445.461,5.116,6,0.375,0.78,1.0,0.28907374408882186,0.36964567198958265,0.8180470838187924,0.8271965595229936,0.5759907648550476
EOS-2-09153,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cc2)c1,CNYKZMIOHSWRSD-UHFFFAOYSA-N,2,1,0.317,69,696,445.461,5.116,6,0.375,0.71,1.0,0.30243814680282366,0.4123260914262216,0.8613271879925982,0.8718987732163662,0.6119975498595025
EOS-2-09154,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cc1,BHFXWPUFFMMQJV-UHFFFAOYSA-N,2,1,0.36,69,696,445.461,5.116,6,0.375,0.79,1.0,0.2517305188129669,0.4436296347063258,0.8627749982866151,0.877501542046467,0.6089091734630937
EOS-2-09155,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cc1,KLUWSIDLWGLLJT-UHFFFAOYSA-N,2,1,0.391,69,57,445.461,5.116,6,0.375,0.82,1.0,0.24085052429579878,0.46134603522719486,0.8164707696525255,0.8334675484887945,0.5880337194160784
EOS-2-09156,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)cn5)n34)cc2)c1,GKUAWIXHNIXXER-UHFFFAOYSA-N,2,1,0.385,93,74,445.461,5.116,6,0.375,0.77,1.0,0.28083236241518744,0.4436382016311425,0.8180556507436091,0.846917620450963,0.5973609588102256
EOS-2-09157,Fc1ccccc1-c1nncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,NZABLGXBVVNMIF-UHFFFAOYSA-N,2,1,0.429,93,107,445.461,5.116,6,0.375,0.74,1.0,0.32525186758961006,0.5151034884517853,0.7234339661435131,0.8066616407374408,0.5926127407305873
EOS-2-09158,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnccc5-c5ccccc5)n34)cn2)cc1,DOLZROSYFWFKIB-UHFFFAOYSA-N,2,1,0.338,93,220,445.461,5.116,6,0.375,0.69,0.999,0.3562298677266808,0.4350969775889247,0.7488605989993832,0.8174302652319924,0.5894044273867453
EOS-2-09159,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)ccn1,NVNFRKTYDCTHFH-UHFFFAOYSA-N,2,1,0.394,93,594,445.461,5.116,6,0.351,0.77,1.0,0.35385682955246384,0.43510554451374134,0.7937598519635392,0.8214395860461928,0.6010404530189842
EOS-2-09160,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)nc1,BJBFIFXJYLZRIR-UHFFFAOYSA-N,2,1,0.351,30,371,445.461,5.116,6,0.351,0.68,0.976,0.27020937564251934,0.35515900212459733,0.7077993283530943,0.7472585840586663,0.5201065725447194
EOS-2-09161,Fc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,LRAMJFVVACKCOD-UHFFFAOYSA-N,2,1,0.329,30,93,445.461,5.116,6,0.351,0.74,1.0,0.30751833321910765,0.4075029127544377,0.667629017887739,0.7154324583647453,0.5245206805565075
EOS-2-09162,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)ccc1-c1cncnc1,CRMLMRMLTYOEKI-UHFFFAOYSA-N,2,1,0.342,69,645,445.461,5.116,6,0.375,0.74,1.0,0.34486155849496264,0.4613546021520115,0.8898978822561853,0.8955863203344527,0.647925090809403
EOS-2-09163,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1,RXHXPJSUBWTPBJ-UHFFFAOYSA-N,2,1,0.333,69,645,445.461,5.116,6,0.351,0.72,1.0,0.31294976355287507,0.435114111438558,0.8777414159413337,0.8775101089712837,0.6258288499760126
EOS-2-09164,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)ccn1,IBMKSESUMMEKBX-UHFFFAOYSA-N,2,1,0.38,41,818,445.461,5.116,6,0.351,0.81,1.0,0.28908231101363857,0.4393290384483586,0.8552789390720307,0.8572493317798643,0.610234905078473
EOS-2-09165,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)cc2)ccn1,URZJYVLATJZVMP-UHFFFAOYSA-N,2,1,0.342,69,479,445.461,5.116,6,0.351,0.8,1.0,0.29986806935782334,0.4568141319991776,0.8107223631005415,0.8154770063737921,0.5957203927078336
EOS-2-09166,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,FMIDGQRGJCLFGY-UHFFFAOYSA-N,2,1,0.352,69,645,445.461,5.116,6,0.351,0.78,1.0,0.2835823452813378,0.4170464670002056,0.8876961825783017,0.8860684668631348,0.618598365430745
EOS-2-09167,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)cn1,XMLIUANEQPSDRD-UHFFFAOYSA-N,2,1,0.338,69,57,445.461,5.116,6,0.351,0.84,1.0,0.29183229387978893,0.4351226783633747,0.8489479816325132,0.8469261873757796,0.6057072853128641
EOS-2-09168,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1,XDOWSMGQYSFMLI-UHFFFAOYSA-N,2,1,0.405,69,867,445.461,5.116,6,0.375,0.77,1.0,0.3305119594270441,0.49216126379274894,0.7512593379480502,0.7749297512165033,0.5872155780960867
EOS-2-09169,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1,NJTCDRNAZUDNEY-UHFFFAOYSA-N,2,1,0.435,93,107,445.461,5.116,6,0.375,0.78,1.0,0.3630748406551984,0.5519583990130903,0.7535467068741005,0.82530326913851,0.6234708039202248
EOS-2-09170,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)cc1,HLZXLUXKQLSLTI-UHFFFAOYSA-N,2,1,0.342,69,220,445.461,5.116,6,0.375,0.75,0.997,0.2779367418271537,0.39808786238091975,0.70022616681516,0.777285655541087,0.5383841066410802
EOS-2-09171,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)ccn1,HQYVPVPFAAOKNG-UHFFFAOYSA-N,2,1,0.338,69,818,445.461,5.116,6,0.351,0.81,1.0,0.3154427386745254,0.43031663354122407,0.8471660612706463,0.8522976492358303,0.6113057706805565
EOS-2-09172,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,DHASPOANQZGUDP-UHFFFAOYSA-N,2,1,0.351,30,93,445.461,5.116,6,0.351,0.72,1.0,0.2918408608046056,0.3980964293057364,0.7674251250771024,0.7890137756151052,0.5615940477006374
EOS-2-09173,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)c1,KCDHTTGOHLUXLL-UHFFFAOYSA-N,2,1,0.338,41,818,445.461,5.116,6,0.375,0.81,1.0,0.3178928791720924,0.4303252004660407,0.842479953395929,0.8572578987046809,0.6119889829346857
EOS-2-09174,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ncc(-c4ccncc4)cn3)n12,AFJMKFLUZKBGSG-UHFFFAOYSA-N,2,1,0.378,41,987,445.461,5.116,6,0.375,0.79,1.0,0.30752690014392436,0.4655095606880954,0.767433692001919,0.8132753066959084,0.5884363648824618
EOS-2-09175,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)ccn1,BWFUTVVGGJJXMI-UHFFFAOYSA-N,2,1,0.342,30,93,445.461,5.116,6,0.351,0.79,1.0,0.2972894249880063,0.3931190459872524,0.7856641080117881,0.804545610307724,0.5701545473236926
EOS-2-09176,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cn1,AATCLZWBYCEDHM-UHFFFAOYSA-N,2,1,0.378,69,987,445.461,5.116,6,0.375,0.75,1.0,0.29987663628264,0.4700243300664793,0.827290795695977,0.839387293537112,0.609144763895552
EOS-2-09177,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3cnnc(-c4ccccc4)n3)n12,CVEMNYGJSYZUQD-UHFFFAOYSA-N,2,1,0.384,93,107,445.461,5.116,6,0.375,0.67,1.0,0.33052052635186074,0.515112055376602,0.7027876773353438,0.7890223425399219,0.5843606504009321
EOS-2-09178,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)c1,YYYQCJBBRSOVMS-UHFFFAOYSA-N,2,1,0.333,69,645,445.461,5.116,6,0.375,0.75,1.0,0.3305290932766774,0.4303337673908574,0.8854430813515181,0.8913028579261189,0.634402199986293
EOS-2-09179,Fc1cc(-c2ncccn2)cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,VACXCXGVJFGONY-UHFFFAOYSA-N,2,1,0.35,69,484,445.461,5.116,6,0.375,0.76,1.0,0.29729799191282297,0.4029196079775204,0.7741073264341032,0.7865293674182715,0.5652135734356796
EOS-2-09180,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cc2)c1,QKXRXIHYRXWUAV-UHFFFAOYSA-N,2,1,0.385,93,696,445.461,5.116,6,0.375,0.79,1.0,0.305162428894524,0.4613631690768282,0.8197947364813927,0.8469347543005963,0.6083137721883353
EOS-2-09181,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nn1,LTPAORUCIQILEY-UHFFFAOYSA-N,2,1,0.4,93,651,445.461,5.116,6,0.351,0.73,1.0,0.2862466588993215,0.39810499623055307,0.7535552737989172,0.8002450140497567,0.5595379857446371
EOS-2-09182,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)n1,JMWSNUSOCCNIJL-UHFFFAOYSA-N,2,1,0.347,69,479,445.461,5.116,6,0.351,0.6,1.0,0.29472791446782265,0.40751147967925433,0.7557227057775341,0.7676992666712357,0.5564153416489617
EOS-2-09183,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)nc1,IXISMLRPVOHCSH-UHFFFAOYSA-N,2,1,0.347,69,57,445.461,5.116,6,0.375,0.77,1.0,0.34001267904872867,0.45240216571859365,0.8180642176684257,0.8214481529710095,0.6079818038516893
EOS-2-09184,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)c1,LXYBPVUUWCPFOD-UHFFFAOYSA-N,2,1,0.333,30,93,445.461,5.116,6,0.375,0.76,1.0,0.27021794256733606,0.3931276129120691,0.7512679048728669,0.7842676992666713,0.5497202899047358
EOS-2-09185,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1,IIUPPTBBUZVQRC-UHFFFAOYSA-N,2,1,0.378,69,20,445.461,5.116,6,0.375,0.75,0.996,0.28625522582413815,0.4743506270988966,0.7720683983277363,0.8066702076622576,0.5848361147282571
EOS-2-09186,Fc1cccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,TZHFWIKOWOKIOY-UHFFFAOYSA-N,2,1,0.444,93,107,445.461,5.116,6,0.375,0.81,1.0,0.2890908779384552,0.47889966417654717,0.7363100541429648,0.8154855732986087,0.579946542389144
EOS-2-09187,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)nc2)cc1,QKEHEPINSUDQRW-UHFFFAOYSA-N,2,1,0.337,32,20,445.461,5.116,6,0.375,0.87,1.0,0.24330066479336576,0.38856144198478515,0.8127355904324584,0.8353694057980947,0.569991775752176
EOS-2-09188,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,ANNLWVGUJAVLRI-UHFFFAOYSA-N,2,1,0.347,69,479,445.461,5.116,6,0.351,0.73,1.0,0.27277088616270306,0.4257761633883901,0.7896648619011719,0.7890309094647385,0.5693107052292509
EOS-2-09189,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)c2)nc1,XMWIYVQUCCNPNW-UHFFFAOYSA-N,2,1,0.347,41,174,445.461,5.116,6,0.375,0.68,1.0,0.3538653964772805,0.4613717360016448,0.8537797272291139,0.8605904324583648,0.632401823041601
EOS-2-09190,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)nc2)c1,AZUMISKKTXPBKG-UHFFFAOYSA-N,2,1,0.359,32,20,445.461,5.116,6,0.375,0.84,1.0,0.22419642245219656,0.3502501542046467,0.802480981426907,0.8313600849838941,0.5520719107669111
EOS-2-09191,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1nccn1C,HSJNGIOTFBEUEK-UHFFFAOYSA-N,2,1,0.521,35,604,445.458,3.356,5,0.379,0.71,1.0,0.7176684257418957,0.5243129326297032,0.5073932561167843,0.3770731958056336,0.5316119525735042
EOS-2-09192,COc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)c5)c4)n23)n1,UTYGPUNHZVKZTR-UHFFFAOYSA-N,2,1,0.495,15,394,445.458,3.356,5,0.379,0.67,1.0,0.5619217325748749,0.5379600438626551,0.5281680487972038,0.3927249674456857,0.5051936981701048
EOS-2-09193,COc1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1cn(C)cn1,QUSPRSLLZAIQFY-UHFFFAOYSA-N,2,1,0.538,49,501,445.458,3.356,5,0.379,0.67,1.0,0.6388355835789186,0.48294325269001437,0.41855424576793915,0.3222191762045096,0.46563806456034545
EOS-2-09194,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cn(C)cn1,JOXLDGINYPLTPE-UHFFFAOYSA-N,2,1,0.528,15,669,445.458,3.356,5,0.355,0.67,1.0,0.7538208484682338,0.6000959495579467,0.5843328078952779,0.42134706325817284,0.5898991672949079
EOS-2-09195,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1nccn1C,PIOIXWCQSWETPM-UHFFFAOYSA-N,2,1,0.534,15,604,445.458,3.356,5,0.355,0.7,1.0,0.7419470906723322,0.5243214995545199,0.5144781029401686,0.36405147008429856,0.5361995408128298
EOS-2-09196,COc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4cnn(C)c4)nc3)n12,CXPABRSKGPKGAE-UHFFFAOYSA-N,2,1,0.521,84,468,445.458,3.356,5,0.379,0.78,1.0,0.5514786512233568,0.551966965937907,0.5906551984099787,0.4398430539373586,0.5334859673771503
EOS-2-09197,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)c4)n23)c1,ZYFDSLJCAVFGAL-UHFFFAOYSA-N,2,1,0.533,26,619,445.458,3.356,5,0.379,0.66,1.0,0.7510365979028168,0.6096138030292646,0.6329843739291344,0.4895654855732986,0.6208000651086286
EOS-2-09198,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4c(F)cccc4OC)n23)c1,SGPLTOSUPBPOET-UHFFFAOYSA-N,2,1,0.379,46,1,445.458,3.796,5,0.376,0.72,0.988,0.4054639846480707,0.30627612912069085,0.5552052635186073,0.41786032485778907,0.4212014255362895
EOS-2-09199,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cncn1C,RARRZVYJGAUNID-UHFFFAOYSA-N,2,1,0.522,15,669,445.458,3.356,5,0.355,0.73,1.0,0.7480210403673497,0.5151206223014186,0.6095966691796313,0.44644815297100954,0.5797966212048523
EOS-2-09200,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cncn1C,DTAFFROCXZCWRE-UHFFFAOYSA-N,2,1,0.527,15,771,445.458,3.356,5,0.379,0.64,1.0,0.759646357343568,0.5519755328627236,0.5517185251182236,0.4178688917826057,0.5703023267767803
EOS-2-09201,CCOc1nc(-c2cncn2C)ccc1-c1cncc2nnc(-c3ccc(F)cc3OC)n12,KNXLNMGLYPPAJG-UHFFFAOYSA-N,2,1,0.34,82,985,445.458,3.8,5,0.393,0.67,1.0,0.47037557398396274,0.46551812761291206,0.47275717908299636,0.3284558974710438,0.43427669453772877
EOS-2-09202,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1cnc(C)n1C,ZKOBWJLHVFMEJC-UHFFFAOYSA-N,2,1,0.506,16,591,445.458,3.622,5,0.369,0.71,1.0,0.7209067233225961,0.4789082311013639,0.5810602426153109,0.3863340415324515,0.5418023096429306
EOS-2-09203,COc1ccccc1CCOc1cncc2nnc(-c3cc(-c4cncc(F)c4)n(C)n3)n12,TUNUPVKTGADDNN-UHFFFAOYSA-N,2,1,0.49,95,54,445.458,3.356,5,0.379,0.73,1.0,0.4077684874237544,0.2858697142073881,0.4480673017613597,0.3640600370091152,0.3764413851004043
EOS-2-09204,COc1cc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)ccc1-c1ccc(F)cn1,PFLZTUMHICCRAN-UHFFFAOYSA-N,2,1,0.517,15,777,445.458,3.356,5,0.379,0.71,1.0,0.5990336508806798,0.5332739359879378,0.5348245493797547,0.40830820368720444,0.5188600849838941
EOS-2-09205,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cncn1C,FIWXITNPCSTQKJ-UHFFFAOYSA-N,2,1,0.51,15,619,445.458,3.356,5,0.379,0.69,1.0,0.732951819614831,0.5061681858680008,0.6035055856349805,0.45909293400041123,0.5754296312795558
EOS-2-09206,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ccnn1C,BNSYZYJAEAOQSE-UHFFFAOYSA-N,2,1,0.533,15,771,445.458,3.356,5,0.379,0.66,1.0,0.5903981906654787,0.4876036597902817,0.5246384757727366,0.39273353437050235,0.49884346514974987
EOS-2-09207,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cncn1C,DCOQCNLISIVEEE-UHFFFAOYSA-N,2,1,0.516,15,729,445.458,3.356,5,0.355,0.69,1.0,0.7996624631622233,0.5151291892262353,0.6215218285244328,0.4591015009252279,0.5988537454595299
EOS-2-09208,COc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4cn(C)cn4)nc3)n12,FAKKSEPGXLNINY-UHFFFAOYSA-N,2,1,0.521,84,276,445.458,3.356,5,0.379,0.77,1.0,0.7113888698512781,0.6916849427729422,0.5415067507367556,0.40194297854842026,0.586630885477349
EOS-2-09209,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cnn(C)c1,ZTYRLDICCNLWNV-UHFFFAOYSA-N,2,1,0.522,15,771,445.458,3.356,5,0.379,0.69,1.0,0.5904067575902954,0.5565588376396409,0.5313035432801042,0.4019515454732369,0.5200551709958193
EOS-2-09210,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nccn1C,UBWMIWRXFNLJOW-UHFFFAOYSA-N,2,1,0.528,15,604,445.458,3.356,5,0.355,0.72,1.0,0.7713145089438695,0.5196610924542526,0.5281766157220205,0.3770817627304503,0.5490584949626482
EOS-2-09211,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1ncnn1C,GAUTWPZIIYYRST-UHFFFAOYSA-N,2,1,0.663,91,309,445.458,3.356,5,0.379,0.77,1.0,0.6188146802823659,0.49727571790829966,0.4899852648893153,0.3957062572818861,0.5004454800904667
EOS-2-09212,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccns6)cn5)n34)nc2)cs1,UOHPAIHEKBGULF-UHFFFAOYSA-N,2,1,0.283,70,392,454.544,4.804,6,0.377,0.65,0.995,0.04417106435473922,0.09558974710437941,0.25328113220478377,0.24948598451099993,0.16063198204372559
EOS-2-09213,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cncs6)cn5)n34)s2)n1,SMGBCUPOFNIHHR-UHFFFAOYSA-N,2,1,0.263,76,368,454.544,4.804,6,0.377,0.59,0.258,0.04127544376670551,0.08619183058049483,0.19995202522102665,0.2118686176410116,0.13482197930230966
EOS-2-09214,Cc1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nccs6)cc5)n34)s2)cnn1,OFPHAHDCXOUUDT-UHFFFAOYSA-N,2,1,0.289,38,339,454.544,4.804,6,0.377,0.65,1.0,0.05333767390857378,0.1281183606332671,0.19641388527174286,0.22304845452676308,0.1502295935850867
EOS-2-09215,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)c(-c2ccccc2)n1,DZCZRHHJFLXGKR-UHFFFAOYSA-N,2,1,0.307,76,653,454.544,4.804,6,0.377,0.55,0.655,0.051735658967856896,0.06494585703515866,0.15740010965663764,0.21484990747721197,0.1222328832842163
EOS-2-09216,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cscn6)s5)n34)cc2)n1,KZIHYCKOPCALMU-UHFFFAOYSA-N,2,1,0.311,38,270,454.544,4.804,6,0.377,0.59,0.998,0.05011651017750668,0.12812692755808375,0.145089438695086,0.18592796929614144,0.12731521143170446
EOS-2-09217,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)s5)n34)cc2)s1,JXHBDMQXELPZQD-UHFFFAOYSA-N,2,1,0.329,38,865,454.544,4.804,6,0.377,0.67,1.0,0.08410150092522788,0.13487766431361797,0.19996059214584333,0.21741998492221232,0.15908993557672538
EOS-2-09218,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(C#N)cc5)c4)n23)cn1,JKIFSIPHIBXVHX-UHFFFAOYSA-N,2,1,0.315,99,151,445.45,2.706,6,0.405,0.71,0.997,0.02038071413885272,0.0862003975053115,0.32992940853951064,0.3479028168048797,0.19610333424713866
EOS-2-09219,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccn6)n5)n34)nc2)n1,DKTJIGRLAZRTML-UHFFFAOYSA-N,2,1,0.31,70,77,445.45,2.866,6,0.399,0.51,0.069,0.08191693509697759,0.053209170036323764,0.08804228634089507,0.10324001096566376,0.08160210060996505
EOS-2-09220,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnccn6)n5)n34)cc2)n1,LZLMKDHIGJMXBK-UHFFFAOYSA-N,2,1,0.303,86,167,445.45,2.866,6,0.399,0.61,0.957,0.12749297512165034,0.10847440202864779,0.14215955040778563,0.15358782811322047,0.13292868891782605
EOS-2-09221,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cnccn6)n5)n34)cc2)nn1,JZGSINSIPWTRKW-UHFFFAOYSA-N,2,1,0.312,86,167,445.45,2.866,6,0.399,0.63,1.0,0.13588856144198477,0.09859673771502982,0.1244431498869166,0.1257967240079501,0.12118129326297032
EOS-2-09222,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5nnn(C(C)C)n5)n34)cn2)cn1,XHHWNJPTNJDNKP-UHFFFAOYSA-N,2,1,0.379,92,986,445.447,1.798,5,0.361,0.63,1.0,0.20785072990199438,0.17373723528202317,0.008652594064834486,0.0015934480159002125,0.09795850181618806
EOS-2-09223,Oc1cnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nc1,PRZLHSQBJGGCKN-UHFFFAOYSA-N,2,1,0.352,93,594,445.446,3.473,6,0.434,0.5,0.999,0.24330923171818244,0.15751147967925433,0.23887156466314852,0.31619662805839216,0.23897222602974438
EOS-2-09224,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncc(C#N)c6)c5)n34)cc2)o1,RRKURUPBPZETDG-UHFFFAOYSA-N,2,1,0.304,42,150,445.446,3.874,6,0.4,0.76,1.0,0.03674354053868823,0.14228805428003563,0.609605236104448,0.5459187170173394,0.3336388869851278
EOS-2-09225,c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ncccn6)cn5)n34)cn2)nc1,ZFDIIYXBACPSSV-UHFFFAOYSA-N,2,1,0.407,28,297,445.446,3.893,6,0.389,0.73,1.0,0.5078815708313343,0.39313617983688576,0.3043485710369406,0.2617195531492016,0.36677146871359056
EOS-2-09226,c1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cncnc6)nc5)n34)nc2)c1,NCENYNCQOLICAO-UHFFFAOYSA-N,2,1,0.348,94,280,445.446,3.893,6,0.389,0.69,1.0,0.4236429991090398,0.3166078404495922,0.47585840586663014,0.4339233088890412,0.4125081385785758
EOS-2-09227,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(C#N)ccn6)c5)n34)cc2)o1,UYSODLCNTIYLES-UHFFFAOYSA-N,2,1,0.308,42,150,445.446,3.874,6,0.4,0.73,1.0,0.04128401069152217,0.15383626893290384,0.5615190871084915,0.49876636282639986,0.3138514323898294
EOS-2-09228,CCOc1cncc(CCOc2cncc3nnc(-c4cncc(-c5noc(C)n5)c4)n23)n1,GAFUFEDQUKNEIA-UHFFFAOYSA-N,2,1,0.436,65,822,445.443,2.355,5,0.348,0.63,1.0,0.34940202864779657,0.14593756425193613,0.031209307107120828,0.015369063121102049,0.1354794907819889
EOS-2-09229,CCOc1nc(-c2nnc(C)o2)ccc1-c1nnc2cncc(OCc3cncc(C)n3)n12,RCDOVGFEIYVVQZ-UHFFFAOYSA-N,2,1,0.404,31,456,445.443,2.621,5,0.365,0.64,0.959,0.26486361455691865,0.07933829072716057,0.02358474402028648,0.007735933109451031,0.09388064560345419
EOS-2-09230,COc1cccc(COc2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)c(OC)n4)n23)n1,UALWNJLKGYAZCP-UHFFFAOYSA-N,2,1,0.39,49,456,445.443,2.271,5,0.397,0.65,1.0,0.25951785347131795,0.14986121581797,0.04848022753752313,0.011813789322184909,0.11741827153724899
EOS-2-09231,Cn1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)s5)n34)o2)cn1,OMCQYAOLLLYVHX-UHFFFAOYSA-N,2,1,0.267,76,272,445.443,3.504,6,0.405,0.7,0.933,0.09617229799191282,0.1313309574395175,0.15740867658145433,0.20283051195942706,0.14693561099307792
EOS-2-09232,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(OC)c4)n23)c1,IRRYVNIYZXDDTK-UHFFFAOYSA-N,2,1,0.529,15,604,445.439,2.875,5,0.352,0.68,1.0,0.490250839558632,0.15384483585772052,0.315374203275992,0.15632067712973752,0.27894763895552055
EOS-2-09233,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)c(OC)c4)n23)n1,KAOBDVIXILMVRJ-UHFFFAOYSA-N,2,1,0.484,15,771,445.439,2.875,5,0.352,0.69,1.0,0.42855184702899046,0.15385340278253717,0.22424782400109658,0.09494722774312933,0.2254000753889384
EOS-2-09234,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1coc(=O)n1C,CRCKARGRJWULEE-UHFFFAOYSA-N,2,1,0.511,15,361,445.439,2.17,5,0.371,0.64,1.0,0.4327496401891577,0.157520046604071,0.21719724487697897,0.12580529093276677,0.2333180556507436
EOS-2-09235,COC1COCC1(O)n1cc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cn1,ZOFWVDMFQPTMSR-UHFFFAOYSA-N,2,1,0.287,52,336,445.439,2.0,6,0.432,0.55,1.0,0.24899766979644986,0.13488623123843466,0.5313121102049209,0.4464567198958262,0.3404131827839079
EOS-2-09236,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5sncc5F)n34)cc2O)nc1,AYASZSBNYTUQGZ-UHFFFAOYSA-N,2,1,0.494,16,214,445.439,3.605,5,0.435,0.66,0.998,0.7828198889726544,0.7607257898704681,0.6394267013912686,0.6150623672126654,0.6995086868617642
EOS-2-09237,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(OC)c4)n23)n1,JMBSTBUIDQOJFL-UHFFFAOYSA-N,2,1,0.517,15,604,445.439,2.875,5,0.352,0.68,1.0,0.5232763347268864,0.1864419847851415,0.2070197381947776,0.08725412925776163,0.2509980467411418
EOS-2-09238,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)s2)no1,YEOMTGVXUCVZAY-UHFFFAOYSA-N,2,1,0.338,76,750,445.439,4.672,6,0.385,0.77,1.0,0.31790144609690907,0.3885700089096018,0.22425639092591323,0.3035775478034405,0.30857634843396614
EOS-2-09239,COc1nc(-c2nnc3cncc(OCCOc4ccccc4)n23)ccc1-c1noc(C)n1,QAWQXXQXKWNECF-UHFFFAOYSA-N,2,1,0.541,49,896,445.439,3.011,5,0.329,0.75,1.0,0.36079603865396476,0.17374580220683983,0.08564354739222808,0.04701528339387293,0.16680016791172642
EOS-2-09240,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)o2)cs1,RPVZSQDVTMIPLW-UHFFFAOYSA-N,2,1,0.286,76,653,445.439,4.672,6,0.385,0.72,0.937,0.2973065588376396,0.3696542389143993,0.44087965184017547,0.43065074360907407,0.3846227983003221
EOS-2-09241,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)c(OC)n3)n12,IIWBZYOSAWCTPX-UHFFFAOYSA-N,2,1,0.5,49,54,445.439,2.875,5,0.352,0.66,0.998,0.4054725515728874,0.045875882393256115,0.16389383866767185,0.07488348982249332,0.17253144061407716
EOS-2-09242,Cc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4ncncn4)c(F)c3)n12,JJEDPRXQSUEBTP-UHFFFAOYSA-N,2,1,0.59,88,70,445.433,3.851,5,0.392,0.68,1.0,0.9612346652045781,0.9538242752381605,0.764983551504352,0.7207182509766294,0.85019018573093
EOS-2-09243,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)ncn2)nc1,GMRXIZQGUAADPI-UHFFFAOYSA-N,2,1,0.558,44,481,445.433,3.851,5,0.392,0.73,1.0,0.8079980810088411,0.5753889383866767,0.7052635186073607,0.6641251456377218,0.6881939209101501
EOS-2-09244,Cc1c(F)cccc1CCOc1cncc2nnc(-c3cc(-c4ccc(F)nn4)ccn3)n12,CFDDCENIWDUPQE-UHFFFAOYSA-N,2,1,0.489,19,159,445.433,3.851,5,0.392,0.63,1.0,0.7238965800836132,0.6046963881844973,0.6786032485778904,0.6440185730930026,0.6628036974847509
EOS-2-09245,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccn2)cnc1F,YUBLYCGRQNYCDC-UHFFFAOYSA-N,2,1,0.505,75,496,445.433,3.851,5,0.367,0.64,1.0,0.8656877527242821,0.7158265369063121,0.7210352271948461,0.6641337125625385,0.7416708073469946
EOS-2-09246,Fc1ccc(CCCOc2cncc3nnc(-c4ccc(-c5ccnnc5)c(F)c4)n23)nc1,MDLYQZNWSDNGAG-UHFFFAOYSA-N,2,1,0.489,37,202,445.433,3.933,5,0.351,0.67,1.0,0.8820420121993009,0.8798146117469673,0.673120416695223,0.6933469261873758,0.7820809917072168
EOS-2-09247,FC(F)c1ccc(-c2nnc3cncc(OCCc4cccc(-c5cccnc5)n4)n23)cn1,YGTBIKDAJHVICX-UHFFFAOYSA-N,2,1,0.539,87,796,445.433,4.202,5,0.371,0.73,0.984,0.7857069426358714,0.8568466863134809,0.7027962442601604,0.6177352477554657,0.7407712802412446
EOS-2-09248,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)cc1F,GQYCCSLUIRPMOC-UHFFFAOYSA-N,2,1,0.462,75,606,445.433,4.117,5,0.402,0.63,1.0,0.690271400178192,0.604704955109314,0.7578216023576178,0.6554211500239874,0.6770547769172778
EOS-2-09249,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cn2)cn1,YUPCSEZVMRPLDX-UHFFFAOYSA-N,2,1,0.567,84,672,445.433,3.851,5,0.392,0.65,1.0,0.8385220341306284,0.8999725858405867,0.6923360290590089,0.6525512302104036,0.7708454698101569
EOS-2-09250,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)n1,DOJRYEOEXURMRY-UHFFFAOYSA-N,2,1,0.494,44,531,445.433,3.851,5,0.392,0.7,1.0,0.8130268658762251,0.6966280583921596,0.6270303611815503,0.6323589884175177,0.6922610684668632
EOS-2-09251,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cn2)cn1,QCNXTKNGZRGRKF-UHFFFAOYSA-N,2,1,0.578,84,73,445.433,3.851,5,0.392,0.72,1.0,0.8677609485299157,0.8903604961962854,0.7002347337399767,0.6469827290795696,0.7763347268864369
EOS-2-09252,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ccc2F)cn1,FDVOIIMNEGWRLM-UHFFFAOYSA-N,2,1,0.522,37,494,445.433,3.851,5,0.392,0.71,1.0,0.9219381810705229,0.9151617435405387,0.6703790007538893,0.6382615996162018,0.7864351312452882
EOS-2-09253,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2F)n1,YZFFINPGIDJDIZ-UHFFFAOYSA-N,2,1,0.663,91,70,445.433,3.851,5,0.392,0.74,1.0,0.9642844904393119,0.9414365019532589,0.670387567678706,0.6440271400178192,0.805033925022274
EOS-2-09254,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C6CC6)n5)cc4)n23)cc1F,BGFOHGIAEMPWOL-UHFFFAOYSA-N,2,1,0.679,43,96,445.433,4.242,6,0.389,0.71,1.0,0.7771228839695703,0.7111661298060448,0.42246933040915635,0.5874683023781784,0.6245566616407374
EOS-2-09255,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)nn1,KRCYGUWUCLXGOS-UHFFFAOYSA-N,2,1,0.75,91,781,445.433,3.851,5,0.392,0.71,1.0,0.9539870468096772,0.9516825440339935,0.7363186210677816,0.6987526557466932,0.8351852169145364
EOS-2-09256,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccn2)ccc1F,XKTHHQGCGWGSNV-UHFFFAOYSA-N,2,1,0.528,75,583,445.433,3.851,5,0.392,0.61,1.0,0.8840038379823179,0.7203498732095127,0.6569203618669043,0.6119782742786649,0.7183130868343499
EOS-2-09257,Cc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1ccc(F)nc1,CSLOHGKQDSQQHE-UHFFFAOYSA-N,2,1,0.423,11,954,445.433,3.851,5,0.367,0.62,1.0,0.7480296072921664,0.6817815776848742,0.5843413748200946,0.5490542115002399,0.6408016928243438
EOS-2-09258,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)cn1,NTHGSHLBCUEXHN-UHFFFAOYSA-N,2,1,0.695,84,360,445.433,3.851,5,0.392,0.74,1.0,0.9411709272839421,0.9309762867521074,0.7535638407237338,0.6875556850113084,0.8283166849427729
EOS-2-09259,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cn2)nn1,FOAGZPSQGGCFGF-UHFFFAOYSA-N,2,1,0.556,19,749,445.433,3.851,5,0.392,0.67,1.0,0.8677695154547324,0.8903690631211021,0.6482934685765198,0.6235778904804331,0.7575024844081969
EOS-2-09260,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccc2F)cn1,QAXNEEMRDVQXQE-UHFFFAOYSA-N,2,1,0.557,35,426,445.433,3.851,5,0.367,0.73,1.0,0.9321328216023577,0.9090877938455212,0.7312384346514975,0.6787917209238572,0.8128126927558084
EOS-2-09261,OCc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cn2)c1,MLVKHVBCFZIMSO-UHFFFAOYSA-N,2,1,0.553,57,951,445.429,4.203,5,0.422,0.74,1.0,0.9485641834007265,0.8656534850250154,0.9429357137961757,0.9197878829415393,0.9192353162908642
EOS-2-09262,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)c1,RINXHGVOTYJYRX-UHFFFAOYSA-N,2,1,0.612,57,881,445.429,4.878,5,0.356,0.75,1.0,0.954818038516894,0.9549122746898773,0.8934959906791858,0.8623209512713317,0.9163868137893223
EOS-2-09263,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cc1,IGNYOQCJZNQBKU-UHFFFAOYSA-N,2,1,0.662,57,951,445.429,4.203,5,0.422,0.83,1.0,0.9460198067301762,0.8876790487286683,0.9489239942430265,0.9280206976903571,0.927660886848057
EOS-2-09264,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2)cn1,SUGLZZAJIXLGIW-UHFFFAOYSA-N,2,1,0.568,57,326,445.429,4.719,5,0.377,0.77,1.0,0.9665632924405455,0.9047186621890206,0.9316616407374408,0.8886813789322184,0.9229062435748064
EOS-2-09265,OCc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(F)c5)c(F)cn4)n23)cc1,NJKWUNJBNHHXRJ-UHFFFAOYSA-N,2,1,0.534,1,709,445.429,4.203,5,0.422,0.71,1.0,0.9077513535741211,0.8227331916935097,0.9339747104379412,0.9176632855870057,0.8955306353231445
EOS-2-09266,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)nc4)n23)c(F)c1,GNSLBAWJVWYMDH-UHFFFAOYSA-N,2,1,0.6,79,881,445.429,4.878,5,0.356,0.76,1.0,0.8802686587622507,0.9047272291138373,0.8765420464670002,0.852306216160647,0.8784610376259339
EOS-2-09267,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)cc1,PQUQDTHVUYSAMR-UHFFFAOYSA-N,2,1,0.72,1,640,445.429,5.034,5,0.35,0.76,1.0,0.977460420807347,0.8999811527654034,0.9174919470906723,0.8886899458570352,0.9209058666301144
EOS-2-09268,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)nc4)n23)cc1F,HNKSRZREDDVKQD-UHFFFAOYSA-N,2,1,0.696,79,881,445.429,4.878,5,0.356,0.79,1.0,0.9246795970118566,0.9206788431224727,0.8877047495031184,0.8572664656294976,0.8975824138167364
EOS-2-09269,OCc1ccc(-c2nnc3cncc(OCc4cc(F)cnc4-c4ccc(F)cc4)n23)cc1,FOUUFRDGFZYYHV-UHFFFAOYSA-N,2,1,0.605,57,798,445.429,4.203,5,0.422,0.73,1.0,0.9680796381330957,0.887687615653485,0.9192738674525393,0.9043417174970872,0.9198457096840518
EOS-2-09270,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)cc1,YOLPKOWWTOWUEG-UHFFFAOYSA-N,2,1,0.775,1,640,445.429,5.034,5,0.35,0.83,1.0,0.9700157631416627,0.879823178671784,0.9460883421287095,0.9165838530601056,0.9281277842505655
EOS-2-09271,COc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C)cc5F)n34)nc2)c(F)c1,WRURQDSNVIBLSH-UHFFFAOYSA-N,2,1,0.44,57,417,445.429,5.241,5,0.368,0.75,1.0,0.9123860598999384,0.8822647522445343,0.9323726954972243,0.8845264203961346,0.9028874820094579
EOS-2-09272,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)c4)n23)cc1,CUUHHMZODXQOLQ-UHFFFAOYSA-N,2,1,0.753,1,640,445.429,5.034,5,0.35,0.79,1.0,0.967557055719279,0.8771331642793503,0.9559403056678775,0.934677198272908,0.9338269309848537
EOS-2-09273,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)nc4)n23)cc1,HPNCSBXAZIAEKW-UHFFFAOYSA-N,2,1,0.74,1,640,445.429,5.034,5,0.35,0.84,1.0,0.9740850524295799,0.8538225618531972,0.9346943321225413,0.9043502844219039,0.9167380577068055
EOS-2-09274,COc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cc5F)c4)n23)cc1,HNRFPWJPCRZBIX-UHFFFAOYSA-N,2,1,0.598,1,709,445.429,4.719,5,0.377,0.73,1.0,0.9685508189980124,0.8798317455966006,0.9108011788088548,0.8605989993831814,0.9049456856966623
EOS-2-09275,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4-c4cccnc4)n23)cc1,QLHRUTOWMCFZNP-UHFFFAOYSA-N,2,1,0.73,1,640,445.429,5.034,5,0.35,0.82,1.0,0.9736824069631965,0.8977794530875197,0.9495922143787267,0.9280292646151738,0.9372708347611541
EOS-2-09276,COc1cc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(C)c5)nc4)n23)ccc1F,SPVMDWCQEPJCCC-UHFFFAOYSA-N,2,1,0.477,13,15,445.429,5.241,5,0.368,0.78,1.0,0.8286957713659104,0.7607343567952848,0.9365276540333082,0.8899664176547186,0.8539810499623055
EOS-2-09277,COc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cc2)c(F)c1,VYHWYYOIUYBPEW-UHFFFAOYSA-N,2,1,0.658,57,326,445.429,4.719,5,0.377,0.78,1.0,0.9882718799259818,0.954920841614694,0.9156757590295388,0.8788893838667672,0.9344394661092456
EOS-2-09278,COc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)ccc1F,GGDDSELDMKXBLU-UHFFFAOYSA-N,2,1,0.512,57,709,445.429,4.719,5,0.377,0.81,1.0,0.9433212254129257,0.89998971969022,0.9232317867178398,0.8860770337879514,0.9131549414022342
EOS-2-09279,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1cccnc1,AGCVRUYZWJXQIR-UHFFFAOYSA-N,2,1,0.523,97,383,445.429,4.719,5,0.377,0.69,1.0,0.9442550202179426,0.863057706805565,0.9365362209581248,0.9030652456994037,0.9117285484202591
EOS-2-09280,Oc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)cc1,ACYSPCIGULPDDD-UHFFFAOYSA-N,2,1,0.622,91,660,445.429,4.459,5,0.389,0.74,1.0,0.912394626824755,0.9280292646151738,0.9117863751627716,0.8913114248509355,0.9108804228634091
EOS-2-09281,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cc4)n23)cc1,DJELCULQZVDEJT-UHFFFAOYSA-N,2,1,0.771,1,640,445.429,5.034,5,0.35,0.86,1.0,0.9709838256459461,0.8771417312041669,0.9587245562332944,0.9363991501610582,0.9358123158111165
EOS-2-09282,COc1cc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)ccc1-c1ccc(F)cn1,CCNQHDYJIGTVNI-UHFFFAOYSA-N,2,1,0.622,57,383,445.429,4.719,5,0.377,0.74,1.0,0.9783685148379138,0.902285655541087,0.9184000411212391,0.8788979507915838,0.919488040572956
EOS-2-09283,Fc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)c(F)cc1Oc1ccccc1,DKNHRBVEKZMNJX-UHFFFAOYSA-N,2,1,0.583,79,881,445.429,4.878,5,0.356,0.76,1.0,0.8523661846343636,0.8716503323966829,0.887713316427935,0.8623295181961483,0.8685148379137826
EOS-2-09284,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccn5)c4)n23)cc1,WTGHHYPOYXXKCH-UHFFFAOYSA-N,2,1,0.743,1,640,445.429,5.034,5,0.35,0.83,1.0,0.9700243300664794,0.8903776300459187,0.9422674936604757,0.9143735864574053,0.9292607600575697
EOS-2-09285,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)cc1,BXYXTZHSAZXBMW-UHFFFAOYSA-N,2,1,0.792,1,640,445.429,5.034,5,0.35,0.82,1.0,0.8877304502775684,0.8110222054691248,0.9347028990473579,0.9087965184017545,0.8855630182989515
EOS-2-09286,c1csc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)n1,FPGMPJMFEBVSCD-UHFFFAOYSA-N,2,1,0.473,40,117,445.424,2.927,6,0.373,0.71,1.0,0.3992101295319032,0.4257847303132068,0.035081557124254675,0.03383935302583785,0.22347894249880063
EOS-2-09287,c1ncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)no2)o1,UQWVNEISSKSXPU-UHFFFAOYSA-N,2,1,0.4,80,297,445.424,2.927,6,0.373,0.6,1.0,0.3971112329518196,0.37918922623535056,0.050330683297923375,0.0470238503186896,0.21841374820094578
EOS-2-09288,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ncn2)cn1,JHGJTLZNBQGZLV-UHFFFAOYSA-N,2,1,0.39,31,296,445.418,1.686,5,0.368,0.6,0.92,0.48283188266739774,0.3355578781440614,0.17354876293605648,0.15632924405455417,0.28706694195051746
EOS-2-09289,COc1nc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1-c1ncc(F)cn1,JWFGLYYIEFNRQQ-UHFFFAOYSA-N,2,1,0.414,49,896,445.418,2.202,5,0.368,0.64,1.0,0.6660612706462888,0.4972842848331163,0.08309060379686108,0.062384346514974987,0.3272051264478103
EOS-2-09290,COc1nccnc1CCOc1cncc2nnc(-c3cncc(-c4ccnnc4F)c3)n12,QUTFUHAADCVBAR-UHFFFAOYSA-N,2,1,0.43,65,349,445.418,2.202,5,0.368,0.5,1.0,0.5619302994996916,0.497292851757933,0.15128332533753683,0.12145329312589953,0.33298994243026525
EOS-2-09291,COCc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ncccn5)n34)c2)c(F)n1,RZNUUBRIVZPSFW-UHFFFAOYSA-N,2,1,0.347,51,48,445.418,2.298,5,0.344,0.6,1.0,0.49275238160509904,0.43034233431567404,0.16065554108697142,0.11904598725241587,0.3006990610650401
EOS-2-09292,COc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)n5)nn4)n23)n1,BEZJZPSCXVQCEL-UHFFFAOYSA-N,2,1,0.386,54,411,445.418,2.202,5,0.344,0.6,0.892,0.5846583510383113,0.4482129394832431,0.09044959221437873,0.07094270440682612,0.2985658967856898
EOS-2-09293,COc1ncncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ncn1,SRZOEKLPRJQGMV-UHFFFAOYSA-N,2,1,0.412,31,194,445.418,2.202,5,0.368,0.55,0.722,0.6048420259063807,0.43933760537317523,0.18961174696730862,0.14357309300253582,0.3443411178123501
EOS-2-09294,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(CO)nc5)n34)cc2F)n[nH]1,LMNWQFPSNQRIRY-UHFFFAOYSA-N,2,1,0.516,97,214,445.414,2.147,5,0.406,0.68,1.0,0.6961997121513261,0.48761222671509835,0.6244260160372832,0.5490627784250566,0.5893251833321911
EOS-2-09295,O=[N+]([O-])c1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cc[nH]n4)c(F)c3)n12,XRUDBVPVXZDNBB-UHFFFAOYSA-N,2,1,0.562,91,273,445.414,3.85,5,0.298,0.57,1.0,0.9751816188061133,0.6817901446096909,0.5144866698649853,0.35108114591186346,0.6306348947981633
EOS-2-09296,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6nn[nH]n6)cn5)n34)nc2)cn1,GFKWJHJXZAPINN-UHFFFAOYSA-N,2,1,0.261,86,652,445.41,1.757,6,0.419,0.64,0.874,0.15236275786443698,0.1864505517099582,0.1512918922623535,0.18593653622095813,0.1690104345144267
EOS-2-09297,Cn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(C#N)cc3F)n12,PXCDNXFSJJSCBQ-UHFFFAOYSA-N,2,1,0.451,36,446,445.393,2.711,5,0.405,0.67,1.0,0.5963179357137962,0.7203584401343294,0.3861284353368515,0.46225412925776166,0.5412647351106847
EOS-2-09298,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cc(C#N)cc(OC(F)F)c4)n23)c1,QJYUSKRQDROLNV-UHFFFAOYSA-N,2,1,0.4,61,917,445.393,3.122,5,0.405,0.69,1.0,0.31024261531080805,0.4170550339250223,0.7674422589267357,0.7677078335960523,0.5656119354396546
EOS-2-09299,Cn1nc(-c2cnc(C#N)cn2)cc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,PASCNEUDWXGCRM-UHFFFAOYSA-N,2,1,0.511,4,212,445.393,2.711,5,0.405,0.59,1.0,0.523284901651703,0.6720752518675897,0.565014392433692,0.5557792474813241,0.5790384483585772
EOS-2-09300,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)n1,OQGMYSROLWNHMB-UHFFFAOYSA-N,2,1,0.457,27,860,445.393,3.291,5,0.391,0.66,1.0,0.4307021451579741,0.5196696593790693,0.7234425330683298,0.6087828113220478,0.5706492872318553
EOS-2-09301,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)nc4F)n23)cc1C#N,HTQARHFTTCVZEZ-UHFFFAOYSA-N,2,1,0.446,36,677,445.393,2.711,5,0.405,0.65,1.0,0.5815228565554109,0.5379686107874717,0.5971574943458297,0.5429631279555891,0.5649030224110754
EOS-2-09302,Fc1nc(-c2nnc3cncc(OCc4cn(C(F)F)nn4)n23)ccc1-c1cncs1,MGOHLSOAALWVMH-UHFFFAOYSA-N,2,1,0.441,92,94,445.39,3.015,5,0.367,0.6,1.0,0.26739942430265234,0.41706360084983896,0.41482763347268864,0.38321568089918445,0.37062658488109107
EOS-2-09303,Cn1nc(-c2nnc(F)s2)nc1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,PNRPYHLXPUEJGG-UHFFFAOYSA-N,2,1,0.506,36,391,445.39,2.435,5,0.406,0.57,0.999,0.6188232472071825,0.7389315331368652,0.08805085326571174,0.17776368994585703,0.40589233088890414
EOS-2-09304,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3nc(-c4cccs4)no3)n12,VWXQMEQJVWNJCK-UHFFFAOYSA-N,2,1,0.452,27,69,445.386,3.954,5,0.362,0.59,1.0,0.6244003152628332,0.7111746967308615,0.44807586868617644,0.4178774587074224,0.5503820848468235
EOS-2-09305,O=[N+]([O-])c1ccc(F)cc1Oc1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cc3)n12,WLZCRMYIMZKGJT-UHFFFAOYSA-N,2,1,0.512,83,163,445.385,5.437,5,0.264,0.81,1.0,0.9246881639366733,0.8149715578096086,0.8958690288534028,0.8293468576519772,0.8662189020629154
EOS-2-09306,COc1nc(-c2nnc3cncc(OCc4ncc(C#N)cc4F)n23)ccc1-c1ncon1,LJWDBQNKWNIAHB-UHFFFAOYSA-N,2,1,0.378,7,896,445.374,2.23,5,0.378,0.6,0.955,0.5490370776506065,0.46138030292646154,0.25652799671030085,0.2028390788842437,0.36744611404290317
EOS-2-09307,Cn1nc(-c2nncn2C(F)F)cc1Oc1cncc2nnc(-c3ccc(F)c(F)c3)n12,MSXBIYDCIXOEPS-UHFFFAOYSA-N,2,1,0.467,36,292,445.34,3.249,5,0.383,0.64,1.0,0.6415684325954355,0.720367007059146,0.7154838599136454,0.6987612226715099,0.6940451305599342
EOS-2-09308,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)ccc1Br,ZPOLUAOOEMTPOX-UHFFFAOYSA-N,2,1,0.435,83,472,445.295,6.027,5,0.341,0.87,1.0,0.43071071208279077,0.6574258104310876,0.9646271674319786,0.9757042012199301,0.7571169727914467
EOS-2-09309,Cn1nnnc1-c1cc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)cs1,SJMRJHRZBUAFHI-UHFFFAOYSA-N,2,1,0.494,36,728,445.295,4.142,5,0.41,0.64,1.0,0.3494105955726133,0.4393461722979919,0.33389589472962783,0.5329826605441711,0.41390883078610097
EOS-2-09310,Cn1cnnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ccsc4)n23)c(Cl)n1,REXYSHZOJNBHPZ-UHFFFAOYSA-N,2,1,0.409,92,779,445.295,4.142,5,0.384,0.65,1.0,0.42613597423069016,0.4303509012404907,0.267536495099719,0.3957148242067028,0.3799345486944007
EOS-2-09311,Clc1ccc(-c2nnc3cncc(-c4cnc(Cl)nc4-c4ccc(Cl)nc4)n23)cc1,VVNHSVKMGMREEE-UHFFFAOYSA-N,2,1,0.437,96,46,454.708,5.271,5,0.273,0.76,1.0,0.3424713864711123,0.6096223699540813,0.847174628195463,0.9280378315399904,0.6818265540401618
EOS-2-09312,Clc1ccccc1-c1nnc2cncc(-c3ccc(-c4cnc(Cl)c(Cl)n4)cn3)n12,HJPWMACIXYFLIK-UHFFFAOYSA-N,2,1,0.478,96,140,454.708,5.271,5,0.369,0.77,0.996,0.22134363648824618,0.42579329723802345,0.8043828387362073,0.907622849701871,0.589785655541087
EOS-2-09313,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)nc4)n23)c(Cl)c1,ZXPSRQAJZHCGSU-UHFFFAOYSA-N,2,1,0.367,45,575,454.708,5.271,5,0.345,0.74,0.999,0.26217360016448493,0.5614248509355082,0.8566924816667809,0.9271897059831403,0.6518701596874786
EOS-2-09314,Clc1ccc(-c2nnc3cncc(-c4cnc(Cl)c(-c5ccc(Cl)nc5)n4)n23)cc1,PQGXWLZPUDKYOG-UHFFFAOYSA-N,2,1,0.449,96,140,454.708,5.271,5,0.345,0.76,1.0,0.3179100130217257,0.6047135220341306,0.8218936330614762,0.9240970461243232,0.667153553560414
EOS-2-09315,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cnoc5)ns4)n23)c(Cl)c1,OOCDERSZOICBBD-UHFFFAOYSA-N,2,1,0.536,97,89,445.291,4.789,5,0.384,0.62,1.0,0.6018521691453635,0.7479353711191831,0.6483020355013365,0.7626790487286683,0.6901921561236378
EOS-2-09316,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5cccs5)n4)n23)cc1Cl,NCQJJFPDBORQPZ-UHFFFAOYSA-N,2,1,0.518,73,756,445.291,4.789,5,0.384,0.79,1.0,0.7144815297100953,0.7990970461243232,0.45870742238366113,0.6119868412034816,0.6460682098553903
EOS-2-09317,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)on4)n23)c(Cl)c1,CRQLCKNROGNYPG-UHFFFAOYSA-N,2,1,0.554,4,10,445.291,4.789,5,0.384,0.69,1.0,0.5963265026386129,0.7652919607977521,0.6124323212939483,0.7207268179014461,0.6736944006579398
EOS-2-09318,Clc1ccc(Cl)c(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)no2)c1,UNTHIAHSMFOBRF-UHFFFAOYSA-N,2,1,0.437,46,109,445.291,4.789,5,0.384,0.63,1.0,0.47302275375231306,0.4213984648070728,0.627038928106367,0.7497772599547666,0.5678093516551298
EOS-2-09319,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)s5)no4)n23)cc1,JUUKSYDIMLHQLP-UHFFFAOYSA-N,2,1,0.615,97,232,445.291,4.789,5,0.384,0.75,1.0,0.8783582345281338,0.8687975464327325,0.5650229593585087,0.6727177712288397,0.7462241278870536
EOS-2-09320,Fc1ccc(Cl)c(-n2nnnc2-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,VMAZSZZLDUEMGJ-UHFFFAOYSA-N,2,1,0.359,22,990,445.22,4.019,5,0.417,0.73,0.997,0.09140908779384552,0.47891679802618053,0.7811921732574875,0.9303337673908574,0.5704629566170927
EOS-2-09321,Fc1cc(Cl)cc(-c2noc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)c1,GBCWLMCBHXUFEC-UHFFFAOYSA-N,2,1,0.426,45,730,445.216,5.093,5,0.385,0.73,1.0,0.38152799671030085,0.6378675210746351,0.8972740045233363,0.9581591391953944,0.7187071653759166
EOS-2-09322,Fc1cc(-c2nnc3cncc(-c4noc(-c5cccc(Cl)c5)n4)n23)c(F)cc1Cl,JOWITFZABAABGQ-UHFFFAOYSA-N,2,1,0.387,45,102,445.216,5.093,5,0.36,0.71,1.0,0.3515094921526969,0.570351586594476,0.9038705366321705,0.9581677061202111,0.6959748303748886
EOS-2-09323,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)c(F)c4)n23)cc1Cl,RYUXOMPBJZTZRD-UHFFFAOYSA-N,2,1,0.789,23,240,454.786,5.363,4,0.381,0.75,1.0,0.9985007881570831,0.9963933246521829,0.9991518744431499,0.9991861421424165,0.998308032348708
EOS-2-09324,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5F)c(F)n4)n23)cc1Cl,WSUABRHAVLVTNP-UHFFFAOYSA-N,2,1,0.518,13,573,454.799,5.111,5,0.351,0.74,1.0,0.8895723391131519,0.8977880200123364,0.9547495031183606,0.9630337194160784,0.9262858954149819
EOS-2-09325,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nn4)n23)c(F)c1,JYUDPGGVPQXLTB-UHFFFAOYSA-N,2,1,0.414,34,236,454.799,5.111,5,0.375,0.79,1.0,0.7510451648276335,0.8771502981289836,0.957088273593311,0.9715321088342129,0.8892039613460353
EOS-2-09326,Fc1ccc(-c2cncc3nnc(-c4ccccc4F)n23)c(Oc2cc(F)c(Cl)nn2)c1,JORYNJNUQJDQKU-UHFFFAOYSA-N,2,1,0.416,45,831,454.799,5.111,5,0.375,0.62,1.0,0.6783376739085738,0.8688061133575492,0.940142896305942,0.956985470495511,0.8610680385168941
EOS-2-09327,Fc1cc(Cl)ccc1-c1nnc2cncc(Oc3ccc(-c4c(F)cccc4F)nn3)n12,RXMOXKVYOBSFNH-UHFFFAOYSA-N,2,1,0.482,34,671,454.799,5.111,5,0.375,0.7,1.0,0.8820505791241177,0.9621598930847783,0.947724624768693,0.9652182852443287,0.9392883455554795
EOS-2-09328,Fc1cnc(-c2nnc3cncc(Oc4ccc(-c5cnc(Cl)c(F)c5)cc4)n23)c(F)c1,ZXOICARMHZPCRB-UHFFFAOYSA-N,2,1,0.404,13,573,454.799,5.111,5,0.351,0.67,1.0,0.8588342128709479,0.865662051949832,0.9441350832705092,0.957627989856761,0.9065648344870125
EOS-2-09329,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nn4)n23)c(Cl)c1,ACVISHXRTWLABP-UHFFFAOYSA-N,2,1,0.414,34,236,454.799,5.111,5,0.375,0.74,1.0,0.7419556575971489,0.8600507161949147,0.9564628880816942,0.9720118566239463,0.882620279624426
EOS-2-09330,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)nn4)n23)cc1F,GSTNJYCIPDKFSS-UHFFFAOYSA-N,2,1,0.544,45,573,454.799,5.111,5,0.375,0.8,1.0,0.8565297100952642,0.8903861969707354,0.9616887122198615,0.9744534301966966,0.9207645123706394
EOS-2-09331,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5cc(F)ccc5Cl)n34)ncn2)c(F)c1,FFGSFBGPPARTII-UHFFFAOYSA-N,2,1,0.407,13,236,454.799,5.111,5,0.375,0.74,0.998,0.8154427386745254,0.8630662737303817,0.9596240833390446,0.9727486121581796,0.9027204269755329
EOS-2-09332,Fc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)nc2F)cnc1F,BDONZOHYYJIBNX-UHFFFAOYSA-N,2,1,0.482,13,573,454.799,5.111,5,0.351,0.77,1.0,0.8588427797957645,0.8822733191693509,0.9526934411623603,0.962451168528545,0.9140651771640053
EOS-2-09333,FC(F)(F)c1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,MTLKWBQJNDUACA-UHFFFAOYSA-N,2,1,0.473,22,121,454.803,4.378,5,0.399,0.77,0.999,0.4121975875539716,0.7523987389486669,0.9365447878829415,0.9176718525118224,0.7547032417243507
EOS-2-09334,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(Cl)nc5)n4)n23)cc1,UBESVJIBWLUMRY-UHFFFAOYSA-N,2,1,0.372,22,121,454.803,4.378,5,0.373,0.79,1.0,0.4191453635802892,0.647693783839353,0.9607292166403948,0.9492238366116099,0.7441980501679117
EOS-2-09335,COc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)o1,NRFRUZWCQJBRIE-UHFFFAOYSA-N,2,1,0.506,4,391,454.809,3.011,5,0.377,0.76,1.0,0.672169488040573,0.7653005277225687,0.29700671646905624,0.31313823589884177,0.5119037420327599
EOS-2-09336,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1ncno1,NGIPCTPCIHCTTQ-UHFFFAOYSA-N,2,1,0.415,51,379,454.809,3.011,5,0.353,0.65,1.0,0.7685302583784525,0.5953755739839627,0.37892365156603386,0.32527756836406,0.5170267630731272
EOS-2-09337,OCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2F)o1,KUVDSVHAWNUUHO-UHFFFAOYSA-N,2,1,0.39,46,237,454.809,2.495,5,0.381,0.65,0.995,0.6132890137756151,0.5519840997875403,0.2897333972997053,0.32846446439586047,0.4458677438146803
EOS-2-09338,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)no2)nn1,ODVLUAWWSAIJGK-UHFFFAOYSA-N,2,1,0.494,73,391,454.809,3.011,5,0.377,0.76,1.0,0.7388030292646152,0.8032862723596738,0.2637242135563018,0.29731512576245633,0.5257821602357617
EOS-2-09339,COc1nc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1ncon1,GEKFTCHTWSDUCM-UHFFFAOYSA-N,2,1,0.409,46,896,454.809,3.011,5,0.353,0.58,0.992,0.7209152902474127,0.5103402782537181,0.3445531492015626,0.31014837913782467,0.47148927421012954
EOS-2-09340,COc1cc(-c2nnc3cncc(OCc4nc(-c5ccc(F)nn5)no4)n23)ccc1Cl,JUORJKCHXVRARO-UHFFFAOYSA-N,2,1,0.457,4,67,454.809,3.011,5,0.377,0.67,1.0,0.6962082790761428,0.7909841683229388,0.27877630045918717,0.3101569460626414,0.5190314234802276
EOS-2-09341,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5F)n34)cn2)o1,XEUAXVRNNXUDCV-UHFFFAOYSA-N,2,1,0.43,55,283,454.809,3.011,5,0.353,0.62,0.808,0.7021794256733603,0.6235007881570831,0.3522719484613803,0.31016551298745804,0.49702941881982043
EOS-2-09342,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4Cl)n23)ccc1-c1nnco1,NFBLPMDMIDARHY-UHFFFAOYSA-N,2,1,0.394,46,564,454.809,3.011,5,0.377,0.53,0.987,0.6872901103419916,0.49730141868274963,0.38980364608320195,0.36406860393393187,0.48461594476046876
EOS-2-09343,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2F)o1,KYGNMXYGKNOFHL-UHFFFAOYSA-N,2,1,0.693,43,96,454.824,4.66,5,0.381,0.74,1.0,0.9579449660749777,0.9463624837228428,0.8698341443355493,0.8719073401411829,0.9115122335686382
EOS-2-09344,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5c(Cl)ccc(F)c5F)n34)cc2)o1,DNBPLECYMGGREN-UHFFFAOYSA-N,2,1,0.562,34,146,454.824,4.66,5,0.357,0.73,1.0,0.9092591323418545,0.9170036323761223,0.8393358919882119,0.8353779727229114,0.875244157357275
EOS-2-09345,Fc1ccc(Cl)c(F)c1CCOc1cncc2nnc(-c3cc(-c4ncco4)ccn3)n12,ZXNDMZOEVBBPJF-UHFFFAOYSA-N,2,1,0.483,44,692,454.824,4.394,5,0.351,0.56,1.0,0.7239051470084299,0.5907751353574121,0.8236241518744432,0.8313686519087109,0.742418271537249
EOS-2-09346,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)c(F)cc1Cl,LRGCJSSMGOUFTE-UHFFFAOYSA-N,2,1,0.581,84,360,454.824,4.394,5,0.351,0.65,1.0,0.9045730244671373,0.8876961825783017,0.8765506133918168,0.8734750873826331,0.8855737269549723
EOS-2-09347,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)ccn2)o1,IYUVWSVOHIONQW-UHFFFAOYSA-N,2,1,0.494,59,577,454.824,4.66,5,0.357,0.7,1.0,0.8743660475635666,0.8032948392844904,0.8777499828661504,0.8590398190665479,0.8536126721951889
EOS-2-09348,FC(F)c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)cc1,POFFBWWJKXOQIA-UHFFFAOYSA-N,2,1,0.568,1,679,454.824,5.011,5,0.356,0.78,1.0,0.8407408676581455,0.8439791652388459,0.8641371393324652,0.8760023302035501,0.8562148756082516
EOS-2-09349,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(OC(F)F)ccc5Cl)n34)cn2)o1,NTCYPWDKPVZMEE-UHFFFAOYSA-N,2,1,0.406,96,478,454.824,5.072,5,0.366,0.75,0.987,0.7300990336508807,0.8538311287780138,0.9165667192104722,0.9019001439243369,0.8505992563909258
EOS-2-09350,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccc5Cl)cn4)n23)o1,OUOUAGGDGKKBKN-UHFFFAOYSA-N,2,1,0.478,27,122,454.824,5.011,5,0.356,0.68,0.992,0.5359125488314714,0.4973099856075663,0.8752998423685834,0.8523147830854636,0.6902092899732712
EOS-2-09351,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2F)o1,QPRJYRWJLHKOAB-UHFFFAOYSA-N,2,1,0.693,43,96,454.824,4.66,5,0.381,0.73,1.0,0.9586731546843945,0.9452659173463094,0.8698427112603659,0.8719159070659996,0.9114244225892674
EOS-2-09352,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)c1,ZMYWCNIVRDMJRN-UHFFFAOYSA-N,2,1,0.598,88,876,454.824,4.394,5,0.375,0.68,1.0,0.9433297923377424,0.9327325063395243,0.8698512781851826,0.8899749845795353,0.9089721403604961
EOS-2-09353,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)ccc1Cl,QBIHLKWGTFTTQD-UHFFFAOYSA-N,2,1,0.753,88,876,454.824,4.394,5,0.375,0.69,1.0,0.9744362963470633,0.9426787060516757,0.8830015077787677,0.8913199917757522,0.9228591254883147
EOS-2-09354,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1F,SMQZNWANMKCJCV-UHFFFAOYSA-N,2,1,0.59,91,781,454.824,4.394,5,0.351,0.67,1.0,0.9709923925707628,0.9605578781440615,0.8865310808032348,0.8831471455006511,0.9253071242546775
EOS-2-09355,Fc1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1ncon1,CVAJHCYKRMNLAH-UHFFFAOYSA-N,2,1,0.628,88,803,454.824,4.394,5,0.375,0.72,1.0,0.9485727503255431,0.9170121993009389,0.8523147830854636,0.8775186758961003,0.8988546021520114
EOS-2-09356,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c(Cl)c2)n1,XYACBFZXETWQFL-UHFFFAOYSA-N,2,1,0.494,96,121,454.824,5.072,5,0.366,0.83,1.0,0.7828284558974711,0.8264769378383935,0.9060294016859708,0.8995356726749366,0.8537176170241929
EOS-2-09357,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccoc5)cn4)n23)cc1Cl,ASBLFTQOVODCFI-UHFFFAOYSA-N,2,1,0.5,27,343,454.824,5.011,5,0.356,0.74,1.0,0.79967103008704,0.8187153039544925,0.9232403536426564,0.9008121444726201,0.8606097080392023
EOS-2-09358,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2F)no1,NHBIYSLMUSESES-UHFFFAOYSA-N,2,1,0.703,59,96,454.824,4.66,5,0.381,0.77,1.0,0.9531560551024604,0.9261616750051401,0.858183126584881,0.8639315331368652,0.9003580974573367
EOS-2-09359,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnoc5)nc4Cl)n23)cc1F,ZMNWUZCRCNYKLK-UHFFFAOYSA-N,2,1,0.679,84,360,454.824,4.394,5,0.351,0.57,1.0,0.8983020355013365,0.8475258721129464,0.8656106504009321,0.8760108971283668,0.8718623637858954
EOS-2-09360,FC(F)n1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,PACGKINYIAKYSX-UHFFFAOYSA-N,2,1,0.529,27,335,454.828,4.072,5,0.381,0.75,1.0,0.632787334658351,0.8568552532382976,0.7387858954149819,0.7231940922486464,0.7379056438900692
EOS-2-09361,Cn1nc(-c2nnc3cncc(OCc4cc(Cl)c(F)cn4)n23)cc1-c1cncc(F)c1,GPVHVEGPYFYKIC-UHFFFAOYSA-N,2,1,0.451,95,469,454.828,3.492,5,0.401,0.68,0.998,0.36771811390583237,0.4258018641628401,0.6786118155027071,0.7180710712082791,0.5475507161949147
EOS-2-09362,Cn1nc(-c2cnc(F)cn2)cc1COc1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,DRSRWZBGECUAFG-UHFFFAOYSA-N,2,1,0.523,73,391,454.828,3.492,5,0.401,0.6,1.0,0.6356915221712014,0.7824258104310876,0.6569289287917209,0.687564251936125,0.6906526283325337
EOS-2-09363,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)n4)n23)cc1-c1ccc(F)nc1,BDYJJPDFCJJUIO-UHFFFAOYSA-N,2,1,0.426,95,694,454.828,3.492,5,0.375,0.64,0.922,0.367726680830649,0.47435919402371324,0.6483106024261531,0.666960797752039,0.5393393187581386
EOS-2-09364,Cc1cc(-c2nnc3cncc(OCc4nnnn4-c4ccc(F)c(F)c4)n23)ccc1Cl,JFALQLIVPZGSRS-UHFFFAOYSA-N,2,1,0.506,34,612,454.828,3.586,5,0.4,0.68,1.0,0.5463727640326228,0.8264855047632101,0.6625059968473717,0.767716400520869,0.7007701665410184
EOS-2-09365,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1F,CRCILBIQKNLYFZ-UHFFFAOYSA-N,2,1,0.523,16,79,454.828,3.492,5,0.375,0.55,0.998,0.6752707148242068,0.6282040298814338,0.7875059968473717,0.7890394763895552,0.7200050544856418
EOS-2-09366,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)c(F)cn4)n23)cc1F,BMBDRWIFVUZKBC-UHFFFAOYSA-N,2,1,0.529,36,712,454.828,3.492,5,0.401,0.61,1.0,0.6752792817490234,0.7737989171407031,0.7181053389075458,0.744482900418066,0.7279166095538345
EOS-2-09367,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)c(Cl)c1,AOBMNVKXSDJTSD-UHFFFAOYSA-N,2,1,0.598,88,6,454.828,3.525,5,0.418,0.77,1.0,0.9476389555205263,0.9507316153793435,0.7937684188883558,0.8432252758549791,0.8838410664108012
EOS-2-09368,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)nc2)n[nH]1,POTMLINUGZZIRY-UHFFFAOYSA-N,2,1,0.41,37,814,454.828,3.525,5,0.391,0.63,0.996,0.7144900966349119,0.7568021383044342,0.6270474950311836,0.6641422794873553,0.6906205023644714
EOS-2-09369,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c(F)c1F,VRSBPLYMLARTKF-UHFFFAOYSA-N,2,1,0.537,36,712,454.828,3.492,5,0.401,0.66,1.0,0.6104105270372148,0.7738074840655198,0.6814474676170242,0.710001028030978,0.6939166266876842
EOS-2-09370,Cn1nnnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,QFXJTTBUYNAYRU-UHFFFAOYSA-N,2,1,0.549,34,258,454.828,3.492,5,0.401,0.75,1.0,0.7566907682818176,0.929571311082174,0.7181139058323625,0.7959101500925228,0.8000715338222191
EOS-2-09371,Cn1c(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)cn2)cnc1Cl,VKUSQWKDAFDFKQ-UHFFFAOYSA-N,2,1,0.465,55,980,454.828,3.492,5,0.401,0.56,1.0,0.7996795970118566,0.7479439380439997,0.6923445959838257,0.6933554931121925,0.7333309060379686
EOS-2-09372,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)n4)n23)c1,JUHVWXNQBWLAQU-UHFFFAOYSA-N,2,1,0.444,47,442,454.828,3.525,5,0.391,0.57,1.0,0.7969210472208896,0.8110307723939415,0.6597046124323213,0.723202659173463,0.7477147728051539
EOS-2-09373,Fc1nc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)ccc1-c1nc[nH]n1,ZVZNQXRGAKQCRG-UHFFFAOYSA-N,2,1,0.469,47,442,454.828,3.525,5,0.391,0.59,1.0,0.7857155095606881,0.7738160509903365,0.6676375848125556,0.7154410252895621,0.7356525426632856
EOS-2-09374,FC(F)n1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,SYCFXYBRFBQKTK-UHFFFAOYSA-N,2,1,0.529,27,399,454.828,4.072,5,0.381,0.77,1.0,0.5649030224110754,0.8406037968610788,0.7856726749366048,0.772488177643753,0.740916917963128
EOS-2-09375,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cnc1F,ZXCHHQNPGFAEBB-UHFFFAOYSA-N,2,1,0.477,16,332,454.828,3.492,5,0.375,0.63,1.0,0.5335309437324378,0.6378760879994517,0.7488691659241998,0.7865379343430882,0.6767035329997944
EOS-2-09376,FC(F)n1cc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,GWDNDJWBZRVZIM-UHFFFAOYSA-N,2,1,0.429,2,36,454.828,4.072,5,0.357,0.64,1.0,0.45395277911041054,0.5565674045644575,0.8712305530806662,0.8272051264478103,0.6772389658008361
EOS-2-09377,Cn1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1cnc(F)c(F)c1,YBIGMPLCXLUAJO-UHFFFAOYSA-N,2,1,0.409,95,694,454.828,3.492,5,0.375,0.72,0.989,0.4327582071139744,0.44822150640805974,0.7129052155438284,0.7207353848262628,0.5786550784730313
EOS-2-09378,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)nn2)c(C(F)F)n1,XUPFZVRBBRGMLL-UHFFFAOYSA-N,2,1,0.506,54,251,454.828,4.365,5,0.389,0.71,0.785,0.4374957165375917,0.5332825029127545,0.6814560345418409,0.6903142348022754,0.5856371221986156
EOS-2-09379,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnnn3-c3ccc(F)c(F)c3)n12,VWLPEUWVMOMGKO-UHFFFAOYSA-N,2,1,0.5,34,612,454.828,3.586,5,0.4,0.7,1.0,0.48543622781166473,0.7695582893564527,0.6096138030292646,0.7313241038996642,0.6489831060242616
EOS-2-09380,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ccc(F)c(F)c1,ORUDMWAIXOASRF-UHFFFAOYSA-N,2,1,0.432,95,998,454.828,3.492,5,0.401,0.68,0.998,0.4828404495922144,0.45682269892399424,0.5939191967651292,0.655429716948804,0.5472530155575355
EOS-2-09381,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)n5)n34)cc2F)n1,XFJNEMOITMTSTG-UHFFFAOYSA-N,2,1,0.541,4,610,454.828,3.492,5,0.375,0.62,1.0,0.6132975807004317,0.7568107052292509,0.6676461517373724,0.6757761633883901,0.6783826502638612
EOS-2-09382,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,HNUPJNMHAZXBNQ-UHFFFAOYSA-N,2,1,0.541,73,391,454.828,3.492,5,0.401,0.6,1.0,0.6721780549653896,0.8337673908573778,0.5682955246384758,0.6291977931601672,0.6758596909053527
EOS-2-09383,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2F)cn1,CUDPZDVBSJKGCM-UHFFFAOYSA-N,2,1,0.465,73,379,454.828,3.492,5,0.375,0.64,1.0,0.6813103968199575,0.7065228565554109,0.6949318072784594,0.7015626070865603,0.696081916935097
EOS-2-09384,Cn1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1-c1ccc(F)cc1F,ADAXFQNQPVNREU-UHFFFAOYSA-N,2,1,0.43,95,965,454.828,3.492,5,0.401,0.64,0.954,0.39921869645671987,0.4743677609485299,0.6270560619560003,0.6817987115345076,0.5456103077239394
EOS-2-09385,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)nn1,XNRMXLXEWDBTGG-UHFFFAOYSA-N,2,1,0.494,50,121,454.828,3.904,5,0.397,0.77,1.0,0.29988520320745665,0.5332910698375711,0.8236327187992598,0.8334761154136111,0.6225712768144747
EOS-2-09386,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5Cl)n34)cc2F)n[nH]1,LNJFXBGVILRSOU-UHFFFAOYSA-N,2,1,0.494,47,526,454.828,3.79,5,0.43,0.64,1.0,0.7329603865396477,0.7607429237201014,0.6424251250771024,0.6818072784593242,0.7044839284490438
EOS-2-09387,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(F)c1,URHSWJQKBXDOFN-UHFFFAOYSA-N,2,1,0.542,34,402,454.828,3.492,5,0.401,0.72,1.0,0.7828370228222877,0.9187598519635392,0.7181224727571791,0.7935970803920225,0.803329106983757
EOS-2-09388,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5n[nH]c(Cl)n5)c(F)c4)n23)n1,FUBPTAPLYCEEEJ-UHFFFAOYSA-N,2,1,0.505,47,639,454.828,3.525,5,0.391,0.6,1.0,0.9207645123706394,0.904735796038654,0.5750034267699267,0.6263450071962169,0.7567121855938592
EOS-2-09389,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2)cn1,ZNZOTAYYCVFDLJ-UHFFFAOYSA-N,2,1,0.483,27,519,454.828,4.072,5,0.381,0.69,1.0,0.4703841409087794,0.6574343773559044,0.80064765951614,0.7575217599890344,0.6714969844424645
EOS-2-09390,FC(F)c1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)cc5)nn4)n23)cn1,CTPRFWITIWJIIC-UHFFFAOYSA-N,2,1,0.611,27,69,454.828,3.937,5,0.383,0.72,1.0,0.20785929682681104,0.5016876841888835,0.7512764717976835,0.754823178671784,0.5539116578712905
EOS-2-09391,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)nc2F)n1,MIPMCJOXXATLAK-UHFFFAOYSA-N,2,1,0.43,46,223,454.828,3.492,5,0.375,0.66,0.411,0.6133061476252485,0.6330700431773011,0.6329929408539511,0.6698307175656226,0.6372999623055308
EOS-2-09392,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1F,UJXDTGGLDDLUCL-UHFFFAOYSA-N,2,1,0.449,73,379,454.828,3.492,5,0.375,0.66,1.0,0.8080066479336577,0.72490747721198,0.6786203824275238,0.6847628675210746,0.7240743437735591
EOS-2-09393,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c(F)c1,UJXZHLLXLSUGCF-UHFFFAOYSA-N,2,1,0.424,73,379,454.828,3.492,5,0.375,0.65,1.0,0.7358560071276814,0.7158351038311288,0.6649304365704887,0.6757847303132067,0.6981015694606263
EOS-2-09394,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCc5cnnc(Cl)c5)n34)cc2)n1,CVBFJBUICWDROT-UHFFFAOYSA-N,2,1,0.477,72,51,454.828,4.072,5,0.381,0.64,1.0,0.7269121376190802,0.7389401000616819,0.8085206634226578,0.7677249674456857,0.7605244671372764
EOS-2-09395,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3c(F)cccc3Cl)n12,MHKBWAZZYLLVJZ-UHFFFAOYSA-N,2,1,0.46,73,877,454.828,3.492,5,0.401,0.56,0.999,0.5286734973613871,0.6424079912274689,0.4796278527859639,0.5750291275443766,0.5564346172297991
EOS-2-09396,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,ZSCVOTMVTXLGCL-UHFFFAOYSA-N,2,1,0.535,73,29,454.828,3.492,5,0.401,0.58,1.0,0.564911589335892,0.7909927352477555,0.5281851826468371,0.6055959152902474,0.622421355630183
EOS-2-09397,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)cn1,OYBMRUFULQAAGP-UHFFFAOYSA-N,2,1,0.462,27,468,454.828,4.072,5,0.357,0.7,1.0,0.41673805770680555,0.6047220889589473,0.7741158933589198,0.7284541840860804,0.6310075560276883
EOS-2-09398,Cn1nccc1-c1cc(COc2cncc3nnc(-c4cc(F)c(Cl)cc4F)n23)cnn1,NULHQHVDHYUDAS-UHFFFAOYSA-N,2,1,0.472,36,659,454.828,3.492,5,0.375,0.64,0.981,0.6327959015831677,0.8264940716880269,0.760211774381468,0.7677335343705024,0.7468088205057912
EOS-2-09399,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)nc2F)n1,MDHWHIPZNXXNNI-UHFFFAOYSA-N,2,1,0.409,46,223,454.828,3.492,5,0.375,0.6,1.0,0.5759457884997601,0.5151377561510521,0.6923531629086424,0.6757932972380234,0.6148075011993694
EOS-2-09400,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)c(F)n4)n23)c1,NJJKYSXKNSXQMU-UHFFFAOYSA-N,2,1,0.444,19,442,454.828,3.525,5,0.391,0.57,0.999,0.748038174216983,0.7695668562812693,0.7286426564320472,0.7865465012679048,0.7581985470495511
EOS-2-09401,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cnc(Cl)c5)nn4)n23)cc1,NIWFVMCSWQJTOC-UHFFFAOYSA-N,2,1,0.484,27,51,454.828,3.937,5,0.383,0.69,0.996,0.5053200603111507,0.6477023507641697,0.8107309300253581,0.7890480433143718,0.6882003461037626
EOS-2-09402,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c(F)c1,IBKCSFGTKPNMRD-UHFFFAOYSA-N,2,1,0.595,43,402,454.828,3.492,5,0.401,0.68,1.0,0.870022616681516,0.9309848536769242,0.7557312727023507,0.8132838736207251,0.842505654170379
EOS-2-09403,Cn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,GLKCYMVYCLWKEB-UHFFFAOYSA-N,2,1,0.506,73,391,454.828,3.492,5,0.401,0.67,1.0,0.702187992598177,0.8771588650538003,0.4371444726201083,0.5718936330614762,0.6470962408333905
EOS-2-09404,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cccnc5Cl)n34)cn2)cn1,WIDYGKNOVQXQTG-UHFFFAOYSA-N,2,1,0.44,55,468,454.828,4.072,5,0.357,0.66,1.0,0.5463813309574396,0.6769155643890069,0.8146974162154753,0.770217942567336,0.7020530635323144
EOS-2-09405,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)nc1F,OVEYFZORONBLEE-UHFFFAOYSA-N,2,1,0.573,46,223,454.828,3.492,5,0.375,0.57,0.993,0.5787814406140772,0.6235093550818998,0.7312470015763142,0.760134672058118,0.6734181173326023
EOS-2-09406,FC(F)n1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)cc2)n1,VIMSIUJZNBXNGM-UHFFFAOYSA-N,2,1,0.707,43,258,454.828,4.072,5,0.381,0.78,1.0,0.7940853951065725,0.7910013021725721,0.6537763004591872,0.6727263381536563,0.727897333972997
EOS-2-09407,Cn1nc(-c2ccc(F)c(F)n2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,OSGKJZPDPRTXFG-UHFFFAOYSA-N,2,1,0.542,34,32,454.828,3.492,5,0.375,0.72,0.8,0.7996881639366733,0.9090963607703378,0.38981221300801866,0.5293588513467206,0.6569888972654376
EOS-2-09408,Cn1nc(-c2cc(F)ccn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,GUXYXJZFXCILPS-UHFFFAOYSA-N,2,1,0.5,34,446,454.828,3.492,5,0.401,0.67,0.992,0.5540915632924406,0.7824343773559044,0.3972740045233363,0.5557878144061408,0.5723969398944555
EOS-2-09409,Fc1cc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)ccc1-c1cc[nH]n1,OSUNDEQOEANDCC-UHFFFAOYSA-N,2,1,0.479,37,795,454.828,3.525,5,0.391,0.57,1.0,0.9258618326365567,0.8771674319786169,0.5906637653347955,0.6582568021383044,0.7629874580220685
EOS-2-09410,Cn1cc(-c2ncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(F)c2F)cn1,ZRVDWCZFDZQWOM-UHFFFAOYSA-N,2,1,0.449,2,564,454.828,3.492,5,0.401,0.65,1.0,0.5934565828250291,0.604730655883764,0.7286512233568638,0.7368754711808649,0.6659284833116305
EOS-2-09411,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1F,ORHHWPFEZZRLTH-UHFFFAOYSA-N,2,1,0.461,73,379,454.828,3.492,5,0.375,0.68,1.0,0.7419642245219656,0.7294565142896305,0.6786289493523405,0.6933640600370091,0.7108534370502364
EOS-2-09412,Cn1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(OC(F)F)c(Cl)c5)n34)c2)n1,UVWWNDHVOIYGJE-UHFFFAOYSA-N,2,1,0.393,50,859,454.828,3.904,5,0.397,0.67,1.0,0.3353522719484614,0.5243300664793366,0.8656192173257488,0.8504557604002467,0.6439393290384483
EOS-2-09413,FC(F)c1ccc(-c2nnc3cncc(OCc4cnn(-c5cc(Cl)ccn5)c4)n23)cn1,CGOQLFJZNVFUJF-UHFFFAOYSA-N,2,1,0.454,27,69,454.828,3.937,5,0.383,0.72,1.0,0.38398670413268454,0.5332996367623878,0.7741244602837366,0.7420755945445823,0.6083715989308478
EOS-2-09414,Cn1nc(-c2ncccc2F)nc1COc1cncc2nnc(-c3ccc(F)cc3Cl)n12,SPRGLIIWSZDXNL-UHFFFAOYSA-N,2,1,0.5,34,446,454.828,3.492,5,0.401,0.69,1.0,0.5787900075388939,0.7389486669864985,0.3262456308683435,0.4957508052909328,0.5349337776711671
EOS-2-09415,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nc(CC(F)F)ncc4Cl)n23)c1,UBCAOHPCQKETKI-UHFFFAOYSA-N,2,1,0.302,50,542,454.832,2.9,5,0.398,0.67,1.0,0.21323075868686175,0.28587828113220476,0.20702830511959427,0.335103831128778,0.2603102940168597
EOS-2-09416,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)o2)cn1,JWJUUWMCPUDHCA-UHFFFAOYSA-N,2,1,0.256,94,165,454.841,3.409,6,0.364,0.73,0.58,0.16860564731683914,0.29637276403262286,0.26754506202453565,0.3479113837296964,0.2701087142759235
EOS-2-09417,Cc1c(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cnn1-c1ccc(Cl)cc1,HZEVLWIVDHUDGU-UHFFFAOYSA-N,2,1,0.456,96,315,454.843,5.625,5,0.355,0.73,1.0,0.09618086491672949,0.40292817490233707,0.9879292029333151,0.9831317250359811,0.6175424919470907
EOS-2-09418,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)n2)nn1,BNWNRRNTVYIVKV-UHFFFAOYSA-N,2,1,0.297,99,286,454.845,2.334,6,0.39,0.63,0.86,0.03155198409978754,0.1422966212048523,0.05968576519772462,0.10324857789048043,0.08419573709821122
EOS-2-09419,Clc1ccc(-c2ncc(-c3nnc4cncc(-c5cn(-c6ncccn6)nn5)n34)cn2)cn1,SRZSTRTXTHKEFP-UHFFFAOYSA-N,2,1,0.289,86,780,454.845,2.334,6,0.364,0.61,1.0,0.005217257213350696,0.10178363374683023,0.07627989856761017,0.1322647522445343,0.07888638544308135
EOS-2-09420,Clc1cnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)nc1,RYRZGBAYSGDOMJ-UHFFFAOYSA-N,2,1,0.305,98,635,454.845,2.539,6,0.421,0.58,1.0,0.21060071276814474,0.28588684805702147,0.0972945651428963,0.16681516003015556,0.1901493214995545
EOS-2-09421,Cc1cc(-c2nnc3cncc(OCc4nc(-c5noc(C)c5F)nn4C)n23)ccc1Cl,LWCUPNNWMZMVGF-UHFFFAOYSA-N,2,1,0.477,36,404,454.853,3.563,5,0.396,0.63,0.997,0.5490456445754232,0.662317524501405,0.10758344184771435,0.16960797752038928,0.37213864711123296
EOS-2-09422,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)c(F)c2)o1,JNDQPKRNIQGVPT-UHFFFAOYSA-N,2,1,0.535,37,832,454.853,3.297,5,0.384,0.67,1.0,0.5678414776231924,0.6528082379549037,0.22092385717222945,0.2677763689945857,0.42733748543622785
EOS-2-09423,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5oc(CF)nc5Cl)n34)ccn2)cn1,BZTVTEPBQWSMLY-UHFFFAOYSA-N,2,1,0.495,75,329,454.853,3.319,5,0.368,0.64,1.0,0.4307192790076074,0.41233465835103833,0.17981118497704063,0.19694503461037627,0.30495253923651566
EOS-2-09424,Cc1nc(-c2nnnn2C)c(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1C,KYBHIGIRYWYXAD-UHFFFAOYSA-N,2,1,0.5,36,404,454.857,2.395,5,0.397,0.59,1.0,0.39275923514495237,0.6528168048797204,0.03911657871290521,0.10108971283668014,0.29644558289356454
EOS-2-09425,Oc1cscc1COc1cncc2nnc(-c3cc(-c4cnc(F)c(Cl)c4)ccn3)n12,AQUCWJYWBGSRRB-UHFFFAOYSA-N,2,1,0.398,46,160,454.874,4.387,5,0.393,0.55,1.0,0.6752878486738401,0.6235179220067165,0.7649921184291687,0.747267150983483,0.702766260023302
EOS-2-09426,O=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)s1,FFGBFXPAFRSWFY-UHFFFAOYSA-N,2,1,0.65,43,11,454.874,3.975,5,0.431,0.61,1.0,0.8476972106092797,0.7738246179151532,0.7234510999931465,0.762687615653485,0.7769151360427662
EOS-2-09427,Cc1onc(-c2ccc(Cl)cc2)c1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,XUHQAMLEDIDOBJ-UHFFFAOYSA-N,2,1,0.351,69,30,454.877,5.73,6,0.335,0.76,1.0,0.2648721814817353,0.3981135631553697,0.6455177849359194,0.7284627510108971,0.5092415701459804
EOS-2-09428,COc1cc(-c2nnc3cncc(Oc4ccc(-c5ccc(C#N)cc5)cn4)n23)ccc1Cl,OBCSWIQEWSHYBD-UHFFFAOYSA-N,2,1,0.452,1,417,454.877,5.179,5,0.361,0.81,1.0,0.92469673086149,0.9280378315399904,0.9258104310876568,0.8982677678020697,0.9192031903228017
EOS-2-09429,Cn1ccc(Oc2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(C#N)cc4)n23)c1=O,AKYRQSUEUYFWDE-UHFFFAOYSA-N,2,1,0.42,62,3,454.877,4.474,5,0.397,0.65,0.999,0.4492409704612432,0.4789253649509972,0.8376653416489617,0.8654650126790487,0.6578241724350627
EOS-2-09430,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5Cl)n34)cc2)o1,MEKAHKLPQQPDSW-UHFFFAOYSA-N,2,1,0.342,69,30,454.877,5.73,6,0.335,0.74,1.0,0.3538739634020972,0.4613888698512782,0.814705983140292,0.8002535809745733,0.6075555993420602
EOS-2-09431,Cc1nnc(-c2cnncc2COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)s1,MELPYFIKJACUSN-UHFFFAOYSA-N,2,1,0.523,36,659,454.878,3.78,5,0.395,0.7,1.0,0.6783462408333905,0.8406123637858954,0.37109348228359945,0.4684394489753958,0.5896228839695703
EOS-2-09432,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc(F)n2)s1,QICZQAKUQDZQMS-UHFFFAOYSA-N,2,1,0.523,55,964,454.878,3.78,5,0.369,0.64,0.71,0.6388441505037352,0.6144198478514152,0.31538277020080874,0.36745253923651566,0.48402482694811877
EOS-2-09433,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)s1,KDEJERJOLBAOQM-UHFFFAOYSA-N,2,1,0.605,59,294,454.878,3.489,5,0.419,0.61,1.0,0.5787985744637105,0.5614334178603249,0.612440888218765,0.6263535741210335,0.5947566136659586
EOS-2-09434,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)c2)nc1,BJSMYKUBRDVDPW-UHFFFAOYSA-N,2,1,0.53,37,921,454.878,3.514,5,0.384,0.62,1.0,0.5788071413885272,0.6282125968062504,0.1421681173326023,0.2557655404016174,0.40123834898224936
EOS-2-09435,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c(F)c2)s1,PWVIZYUWMXHTHJ-UHFFFAOYSA-N,2,1,0.467,4,554,454.878,3.78,5,0.369,0.62,1.0,0.6018607360701802,0.7158436707559455,0.36720409841683227,0.4048300322116373,0.5224346343636488
EOS-2-09436,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)c2)nc1,YNRGGQSUUJNFOP-UHFFFAOYSA-N,2,1,0.43,18,949,454.878,3.514,5,0.384,0.61,1.0,0.6388527174285519,0.5807175656226441,0.18638201631142484,0.2732849016517031,0.419809300253581
EOS-2-09437,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)nc(Cl)n1,RVRXQIHEYVUXRW-UHFFFAOYSA-N,2,1,0.468,87,307,454.878,3.514,5,0.283,0.68,1.0,0.6813189637447742,0.6769241313138236,0.27092899732711945,0.3131468028236584,0.4855797238023439
EOS-2-09438,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ncn2)ccn1,FODCFELKUGLLHQ-UHFFFAOYSA-N,2,1,0.419,18,194,454.878,3.514,5,0.359,0.57,0.992,0.5788157083133438,0.6047392228085806,0.289741964224522,0.3801230210403673,0.4633549790967034
EOS-2-09439,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cn2)s1,OLMLRFCHVSXQQG-UHFFFAOYSA-N,2,1,0.456,55,617,454.878,3.78,5,0.395,0.72,0.975,0.584666917963128,0.6720838187924063,0.260340278253718,0.32528613528887673,0.46059428757453225
EOS-2-09440,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)nn5)n34)cn2)s1,NOJDCFMBUVJJSH-UHFFFAOYSA-N,2,1,0.461,55,617,454.878,3.78,5,0.395,0.63,1.0,0.5934651497498458,0.6916935096977589,0.32993797546432735,0.35418237269549724,0.4923197519018573
EOS-2-09441,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)s1,FICCZAIIEUJMOQ-UHFFFAOYSA-N,2,1,0.547,4,71,454.878,3.489,5,0.419,0.61,1.0,0.5706599958878761,0.5860204920841615,0.5144952367898019,0.5390737440888219,0.5525623672126654
EOS-2-09442,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)c2)cn1,OYBRVJHPMZJSCB-UHFFFAOYSA-N,2,1,0.4,18,367,454.878,3.514,5,0.359,0.75,1.0,0.43276677403879105,0.5287763004591872,0.20703687204441093,0.3382393256116784,0.3767048180385169
EOS-2-09443,Cc1nnc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)s1,QTTMVVNGAWWGTO-UHFFFAOYSA-N,2,1,0.529,4,29,454.878,3.78,5,0.395,0.69,1.0,0.6215989308477828,0.8507470358440135,0.1929699814954424,0.297323692687273,0.49065991021862787
EOS-2-09444,FCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)cn1,ZUPGELKMZJAOQC-UHFFFAOYSA-N,2,1,0.404,7,296,454.878,3.802,5,0.381,0.55,0.332,0.5127904187512851,0.5103488451785347,0.3153913371256254,0.3541909396203139,0.42318038516893974
EOS-2-09445,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)s5)n34)cn2)ncc1F,JNHPZJBWYDOHEH-UHFFFAOYSA-N,2,1,0.494,7,930,454.878,3.78,5,0.395,0.68,1.0,0.5963350695634295,0.7203755739839627,0.2105321773696114,0.24079912274689877,0.44201048591597564
EOS-2-09446,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ncc5F)n34)cn2)s1,NOKZHZLFDBBPOX-UHFFFAOYSA-N,2,1,0.435,55,85,454.878,3.78,5,0.369,0.66,1.0,0.6629600438626551,0.7607514906449181,0.28975053114933863,0.29733225961208964,0.5026985813172504
EOS-2-09447,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)s5)n34)ccn2)nc1,FVVNQWZTLVPOQK-UHFFFAOYSA-N,2,1,0.529,75,775,454.878,3.514,5,0.384,0.63,1.0,0.7054691248029608,0.6769326982386402,0.17355732986087313,0.24949455143581659,0.45136342608457264
EOS-2-09448,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2F)s1,SYYFNRLZZUMPMG-UHFFFAOYSA-N,2,1,0.451,46,237,454.878,3.78,5,0.369,0.65,1.0,0.502758549790967,0.5907837022822288,0.2352306216160647,0.30358611472825714,0.4080897471043794
EOS-2-09449,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)ns1,QVACPTJLIGSUNK-UHFFFAOYSA-N,2,1,0.549,46,488,454.878,3.78,5,0.395,0.66,0.772,0.6133147145500651,0.5658196833664588,0.34863957233911314,0.43393187581385784,0.4904264615173738
EOS-2-09450,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)cn1,MNAFTAOZJRXOBF-UHFFFAOYSA-N,2,1,0.398,31,194,454.878,3.514,5,0.384,0.58,0.657,0.7480467411417997,0.6477109176889864,0.31898944554862585,0.3863426084572682,0.52527242820917
EOS-2-09451,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ccn2)nc1,WTBFGSDTXIYGRD-UHFFFAOYSA-N,2,1,0.55,75,262,454.878,3.514,5,0.384,0.54,1.0,0.7828455897471044,0.769575423206086,0.19996915907065999,0.28238297580700433,0.5086932869577137
EOS-2-09452,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)s5)n34)c(F)c2)n1,HXHDJJSAWSBIJU-UHFFFAOYSA-N,2,1,0.489,16,610,454.878,3.78,5,0.395,0.72,1.0,0.8452299362620793,0.8265026386128436,0.35975944075114796,0.3674611061613323,0.5997382804468507
EOS-2-09453,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1nccs1,AAXDIXQHCUTYGA-UHFFFAOYSA-N,2,1,0.432,58,237,454.878,3.514,5,0.359,0.61,0.961,0.6752964155986567,0.7017510794325269,0.19642245219655952,0.2704920841614694,0.4609905078473031
EOS-2-09454,Fc1ccc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)cc1-c1cncnc1,YQBDGHABYJRCSE-UHFFFAOYSA-N,2,1,0.518,37,494,454.878,3.514,5,0.384,0.75,1.0,0.6161503666643822,0.7695839901309026,0.29701528339387295,0.44646528682064285,0.53230373175245
EOS-2-09455,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)nnc1Cl,KXZUKPXIQHNEIP-UHFFFAOYSA-N,2,1,0.484,87,779,454.878,3.514,5,0.384,0.58,1.0,0.7209238571722295,0.8072955931738743,0.3077496401891577,0.37709032965526695,0.5532648550476321
EOS-2-09456,N=c1[nH]nc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)s1,DQZHYGNVBQYVQP-UHFFFAOYSA-N,2,1,0.541,59,294,454.878,3.489,5,0.419,0.62,1.0,0.5437855527379891,0.470032896991296,0.5615276540333082,0.5844613117675279,0.5399518538825303
EOS-2-09457,Cc1csc(-c2cc(-c3nnc4cncc(OCc5nc(Cl)ncc5F)n34)ccn2)n1,AIHDOZJUPLNJAB-UHFFFAOYSA-N,2,1,0.483,24,199,454.878,3.78,5,0.369,0.64,1.0,0.6597902816804879,0.6282211637310671,0.23888013158796517,0.25254437667055035,0.44485898841751764
EOS-2-09458,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cncnc1,MLVPQGDYRZKRIQ-UHFFFAOYSA-N,2,1,0.539,35,215,454.881,3.79,5,0.356,0.59,1.0,0.9451374134740593,0.9516911109588102,0.7741330272085533,0.7626961825783017,0.8584144335549312
EOS-2-09459,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)c(Cl)c2)n[nH]1,ZWAGHRSMXTVJCQ-UHFFFAOYSA-N,2,1,0.315,9,38,454.881,4.86,6,0.405,0.73,1.0,0.3400212459735453,0.4393547392228086,0.5971660612706463,0.6323675553423344,0.5022274004523336
EOS-2-09460,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4Cl)n23)cn1,LRRGVAXUOMSHAH-UHFFFAOYSA-N,2,1,0.314,42,106,454.881,4.562,6,0.385,0.69,0.989,0.26218216708930164,0.2858954149818381,0.5717565622644095,0.5994705640463299,0.4298261770954698
EOS-2-09461,N#Cc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccccn1,SFNBNKHXCLMVBJ-UHFFFAOYSA-N,2,1,0.457,49,501,454.881,3.79,5,0.38,0.68,1.0,0.9030395449249538,0.8716588993214995,0.5145038037146186,0.552301076005757,0.7103758309917072
EOS-2-09462,N#Cc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cncc(Cl)n4)nc3)n12,UXYIPLBBJUTPIO-UHFFFAOYSA-N,2,1,0.533,84,56,454.881,3.79,5,0.38,0.67,1.0,0.9092676992666713,0.9327410732643411,0.6215303954492495,0.6353831128778014,0.7747305702145157
EOS-2-09463,N#Cc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cncc(Cl)c4)nn3)n12,SHJFZCMYGAEGGQ-UHFFFAOYSA-N,2,1,0.489,54,54,454.881,3.79,5,0.38,0.67,0.971,0.8840124049071345,0.8149801247344254,0.6185062709889658,0.6698392844904393,0.7468345212802413
EOS-2-09464,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6)n5)n34)cc2)o1,ZVGAWUPIOKLAHZ-UHFFFAOYSA-N,2,1,0.341,3,783,454.881,4.656,6,0.382,0.7,1.0,0.08411006785004455,0.2912154752929888,0.5145123706394352,0.5654427386745254,0.3638201631142485
EOS-2-09465,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2)cc1,FDLJGDLYMQJNAK-UHFFFAOYSA-N,2,1,0.552,19,691,454.881,3.79,5,0.356,0.75,0.999,0.9332036872044411,0.907057432663971,0.6537848673840039,0.6933726269618258,0.7968546535535603
EOS-2-09466,CC#Cc1cnc(-c2ccccc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nc1,OMULOQPWIPCHJF-UHFFFAOYSA-N,2,1,0.453,51,196,454.881,3.642,5,0.371,0.62,1.0,0.6993180727845932,0.6817987115345076,0.37499143307518334,0.3704081282982661,0.5316290864231376
EOS-2-09467,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)c(Cl)c5)n34)cc2)n[nH]1,PNJUEYJIYSDTQQ-UHFFFAOYSA-N,2,1,0.321,9,340,454.881,4.86,6,0.405,0.64,1.0,0.28626379274895486,0.4568312658488109,0.6569374957165376,0.6818158453841409,0.520462099924611
EOS-2-09468,N#Cc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,FPNXUHKYELORET-UHFFFAOYSA-N,2,1,0.544,11,275,454.881,3.79,5,0.38,0.72,1.0,0.9219467479953396,0.8849976012610513,0.6155506819272154,0.6612038242752382,0.7709247138647112
EOS-2-09469,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c(-c2nccc(Cl)n2)n1,SWEXSICKEZLRCK-UHFFFAOYSA-N,2,1,0.309,38,725,454.881,4.562,6,0.36,0.69,1.0,0.1495870742238366,0.1951545473236927,0.4008721129463368,0.48368000822424784,0.30732343567952847
EOS-2-09470,N#Cc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,TUGBTVWEDUGARE-UHFFFAOYSA-N,2,1,0.42,11,503,454.881,3.79,5,0.38,0.65,1.0,0.6597988486053047,0.6966366253169762,0.5650315262833253,0.635391679802618,0.639214670002056
EOS-2-09471,Clc1cc(COc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cc4)n23)ccn1,ZFDYUUUHRGAFJB-UHFFFAOYSA-N,2,1,0.518,77,755,454.881,4.128,6,0.361,0.74,1.0,0.8500017133849633,0.7203841409087793,0.565040093208142,0.6208107737646494,0.6890591803166335
EOS-2-09472,Cn1nc(-c2cccc(Cl)n2)nc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,HHPQUEHQQLWNCZ-UHFFFAOYSA-N,2,1,0.329,38,193,454.881,4.562,6,0.36,0.71,1.0,0.14959564114865329,0.24493694743334932,0.2709375642519361,0.40196011239805357,0.26685756630799806
EOS-2-09473,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4C#N)n23)nc1,HRUGWMIEEZFNOX-UHFFFAOYSA-N,2,1,0.429,16,214,454.881,4.056,5,0.39,0.71,1.0,0.7969296141457063,0.7991056130491399,0.6067695839901309,0.6119954081282982,0.7037000548283188
EOS-2-09474,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(Cl)ccn6)cn5)n34)cc2)o1,INXXLCVSJCBTCU-UHFFFAOYSA-N,2,1,0.307,42,303,454.881,4.656,6,0.382,0.61,1.0,0.08192550202179426,0.265060653827702,0.5717651291892263,0.5814286203824275,0.3750449763552875
EOS-2-09475,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)o2)nn1,WBUYOKPNZCFASB-UHFFFAOYSA-N,2,1,0.35,3,74,454.881,4.562,6,0.385,0.65,1.0,0.21060927969296142,0.33556644506887806,0.4966503323966829,0.6087913782468645,0.4129043588513467
EOS-2-09476,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)c6)c5)n34)cc2)o1,UUGFKVRWUGLIBF-UHFFFAOYSA-N,2,1,0.326,3,668,454.881,4.656,6,0.382,0.75,1.0,0.03291412514563772,0.22435919402371324,0.5281937495716538,0.5844698786923446,0.34248423685833734
EOS-2-09477,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ocnc4-c4cccc(Cl)c4)n23)cn1,ZDRLSTASGJJGTH-UHFFFAOYSA-N,2,1,0.345,42,693,454.881,4.562,6,0.385,0.71,0.995,0.23239496950174765,0.26506922075251865,0.40088067987115344,0.4865584949626482,0.346225841272017
EOS-2-09478,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cc2)o1,JWHZSVRFGWAENZ-UHFFFAOYSA-N,2,1,0.327,42,150,454.881,4.656,6,0.357,0.68,1.0,0.05334624083339044,0.22952504968816392,0.5415153176615722,0.5490713453498732,0.34336448838324996
EOS-2-09479,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cc4)n23)nc1,JZIBKEDRBMXRKN-UHFFFAOYSA-N,2,1,0.6,40,755,454.881,4.128,6,0.386,0.71,1.0,0.6535706942635872,0.6769412651634569,0.5037608799945171,0.5814371873072441,0.6039275066822013
EOS-2-09480,Cn1c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc(Cl)c1-c1ncon1,ZKIXCJZJZIZKSY-UHFFFAOYSA-N,2,1,0.293,30,301,454.881,4.562,6,0.385,0.62,0.916,0.16318278390788843,0.22436776094852992,0.38613700226166814,0.5192241792886025,0.3232279316016723
EOS-2-09481,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)o5)n34)cc2)n[nH]1,LPKAISLJSLFYIR-UHFFFAOYSA-N,2,1,0.367,3,641,454.881,4.86,6,0.405,0.75,1.0,0.24900623672126654,0.5151463230758687,0.5107600575697347,0.587476869302995,0.4655973716674663
EOS-2-09482,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)c6)c5)n34)cc2)n1,KYSHSASORLXZCR-UHFFFAOYSA-N,2,1,0.322,3,150,454.881,4.656,6,0.382,0.74,1.0,0.06394352683160853,0.23426255911178123,0.5246470426975532,0.5781474881776437,0.35025015420464667
EOS-2-09483,Cc1nnc(-c2cccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6)c5)n34)c2)o1,LOQRZEYEDVYMJS-UHFFFAOYSA-N,2,1,0.353,3,668,454.881,4.656,6,0.382,0.68,1.0,0.025615105201836748,0.22437632787334658,0.5212031389212528,0.5844784456171612,0.33891825440339934
EOS-2-09484,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cn1,DLRMRHSXABDFBL-UHFFFAOYSA-N,2,1,0.543,35,76,454.881,3.79,5,0.356,0.74,1.0,0.9271383044342403,0.9575937221574944,0.6761188403810569,0.6554382838736207,0.8040722877116031
EOS-2-09485,CC#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)cn1,XZWPKMLMBDEFQT-UHFFFAOYSA-N,2,1,0.446,75,441,454.881,3.642,5,0.293,0.63,1.0,0.635700089096018,0.6867418271537249,0.5717736961140429,0.48957405249811525,0.5959474162154753
EOS-2-09486,Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nn2)cc1Cl,NQAJOXAVSATZHG-UHFFFAOYSA-N,2,1,0.297,3,783,454.881,4.656,6,0.382,0.73,1.0,0.05691864848194092,0.1691796312795559,0.6005157288739634,0.6354002467274347,0.36550356384072374
EOS-2-09487,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nn2)ccc1Cl,NWMHSJPVRHQARG-UHFFFAOYSA-N,2,1,0.302,3,783,454.881,4.656,6,0.382,0.75,1.0,0.06395209375642519,0.19055410869714207,0.597174628195463,0.6354088136522514,0.37177241107532044
EOS-2-09488,COc1ccc(Cl)cc1-c1nnc2cncc(-c3cccc(-c4nnc5ccccn45)n3)n12,FNWXKQXEJOFYGG-UHFFFAOYSA-N,2,1,0.352,76,750,454.881,4.225,6,0.393,0.62,1.0,0.2862723596737715,0.3166164073744089,0.4111352888767048,0.49258961003358237,0.3766534164896169
EOS-2-09489,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)nn5cccc45)n23)cc1,LPADNRODTHFDQT-UHFFFAOYSA-N,2,1,0.535,40,232,454.881,4.128,6,0.386,0.74,0.998,0.607617709546981,0.8538396957028305,0.4148362003975053,0.5257007744500034,0.60049859502433
EOS-2-09490,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4Cl)n23)cc1,HSWDTYBZQXLFFL-UHFFFAOYSA-N,2,1,0.347,9,340,454.881,4.562,6,0.385,0.68,1.0,0.22135220341306286,0.2912240422178055,0.6625145637721883,0.6758018641628402,0.4627231683914742
EOS-2-09491,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6Cl)n5)n34)cc2)o1,WYJLXLCZFSDXPW-UHFFFAOYSA-N,2,1,0.302,3,289,454.881,4.656,6,0.382,0.67,1.0,0.08882187649921185,0.2963813309574395,0.45170824480844357,0.522411075320403,0.33983063189637447
EOS-2-09492,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,RQCUMKINHJKMSZ-UHFFFAOYSA-N,2,1,0.318,8,474,454.881,4.562,6,0.36,0.7,1.0,0.1712271263107395,0.2755294359536701,0.35606709615516413,0.492598176958399,0.3238554588444932
EOS-2-09493,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)c2)nn1,YVEPMRDZNNAFLJ-UHFFFAOYSA-N,2,1,0.321,9,38,454.881,4.562,6,0.385,0.74,1.0,0.19947227743129325,0.3307432663970941,0.6649390034953053,0.6987697895963265,0.4734810842300048
EOS-2-09494,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,SICWZSNVDFRGOK-UHFFFAOYSA-N,2,1,0.421,3,474,454.881,4.562,6,0.385,0.73,1.0,0.14095161400863546,0.31662497429922554,0.39347885682955247,0.5360239188540882,0.34676984099787544
EOS-2-09495,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1-c1cccc(Cl)c1,OCVZBWJVTSSMGE-UHFFFAOYSA-N,2,1,0.375,9,625,454.881,4.562,6,0.385,0.71,1.0,0.16035569871838803,0.28050681927215404,0.5650486601329586,0.632376122267151,0.4095718250976629
EOS-2-09496,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(C#N)ccc5Cl)n34)ccn2)cn1,DIPMDBUTVDINHL-UHFFFAOYSA-N,2,1,0.478,24,99,454.881,4.056,5,0.39,0.69,1.0,0.7239137139332465,0.7653090946473854,0.7439774518538825,0.7180796381330957,0.7378199746419025
EOS-2-09497,Cc1cc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nn5)c4)n23)ccc1C#N,ZLUNNAWBFPNHFN-UHFFFAOYSA-N,2,1,0.478,89,97,454.881,4.056,5,0.39,0.69,1.0,0.7480553080666164,0.8110393393187582,0.7210437941196628,0.6875728188609417,0.7419278150914947
EOS-2-09498,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cn2)cc1Cl,PLJPWPUUDJTEPQ-UHFFFAOYSA-N,2,1,0.329,38,787,454.881,4.562,6,0.385,0.7,1.0,0.23542766088684805,0.3113991501610582,0.5107686244945514,0.5224196422452196,0.39500376944691934
EOS-2-09499,Clc1cccnc1COc1cncc2nnc(-c3ccc(-c4nnc5ccccn45)cc3)n12,WDVBKCDGSWOFIA-UHFFFAOYSA-N,2,1,0.561,40,755,454.881,4.128,6,0.386,0.76,1.0,0.7084932492632444,0.6623260914262217,0.46217702693441165,0.5621958741690083,0.5987980604482215
EOS-2-09500,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)c6)nn5)n34)cn2)cn1,HPDXSGYMSAKADM-UHFFFAOYSA-N,2,1,0.305,10,37,454.885,3.488,6,0.401,0.75,1.0,0.011753820848468233,0.1313395243643342,0.397282571448153,0.47153210883421287,0.25297700637379206
EOS-2-09501,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6Cl)n5)n34)nc2)n[nH]1,OQIMAJAZEKDDOM-UHFFFAOYSA-N,2,1,0.27,10,871,454.885,3.786,6,0.43,0.61,0.008,0.03536426564320472,0.1614008635460215,0.2637327804811185,0.3608645740524981,0.2053406209307107
EOS-2-09502,Cn1nc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cc2)cc1Cl,MASBPLVWRLRHDG-UHFFFAOYSA-N,2,1,0.342,3,158,454.885,3.488,6,0.401,0.72,1.0,0.03156055102460421,0.255003084092934,0.1964310191213762,0.2973408265369063,0.19508387019395518
EOS-2-09503,Cc1cc(-c2cccc(-n3cc(-c4cncc5nnc(-c6ccccc6Cl)n45)nn3)n2)n[nH]1,VTJMQSSKDADYIG-UHFFFAOYSA-N,2,1,0.352,10,39,454.885,3.786,6,0.43,0.56,0.014,0.00562846960455075,0.19056267562195875,0.26034884517853474,0.37041669522308274,0.20673917140703174
EOS-2-09504,Cn1cc(-c2ccnc(-c3nnc4cncc(-c5ccc(Cl)c(-c6c[nH]nn6)c5)n34)c2)cn1,ZTDOCPIWDSRPGK-UHFFFAOYSA-N,2,1,0.247,10,151,454.885,3.692,6,0.431,0.63,1.0,0.05692721540675759,0.16918819820437256,0.5615362209581248,0.6056044822150641,0.3483140291960798
EOS-2-09505,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3nnn(-c4ccc(Cl)cc4)n3)n12,VQMIHSHQWGDMRM-UHFFFAOYSA-N,2,1,0.284,10,158,454.885,3.488,6,0.401,0.72,0.252,0.00887533411006785,0.13134809128915084,0.11303200603111507,0.2677849359194024,0.13026009183743403
EOS-2-09506,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)nc5)nn4)n23)cc1,SAHHKCJYNWLZDA-UHFFFAOYSA-N,2,1,0.305,98,620,454.885,3.488,6,0.375,0.72,1.0,0.008883901034884518,0.13135665821396753,0.4185628126927558,0.465209718319512,0.25600327256528
EOS-2-09507,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(Cl)c2)n1,MWKPBNCTINUTMZ-UHFFFAOYSA-N,2,1,0.317,9,537,454.885,3.692,6,0.431,0.66,1.0,0.24085909122061544,0.31140771708587484,0.45871598930847785,0.5025101089712837,0.3783732266465629
EOS-2-09508,Cn1cnc(-c2ccccn2)c1-c1nnc2cncc(-c3cn(-c4ccccc4Cl)nn3)n12,ZNPLLEXAGGOVHJ-UHFFFAOYSA-N,2,1,0.302,10,37,454.885,3.488,6,0.401,0.62,0.723,0.004343430882050579,0.06852683160852581,0.15741724350627098,0.3004420533205401,0.13268238982934688
EOS-2-09509,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cc1,RUKQMTNWHWTBQE-UHFFFAOYSA-N,2,1,0.329,98,39,454.885,3.488,6,0.401,0.8,1.0,0.030232677678020698,0.16528168048797204,0.32265608937015966,0.42760091837434033,0.23644284147762318
EOS-2-09510,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5Cl)nn4)n23)cn1,DABKXLOYIMRCQE-UHFFFAOYSA-N,2,1,0.289,10,37,454.885,3.488,6,0.401,0.69,0.975,0.022411075320402988,0.14230518812966897,0.2603574121033514,0.3640771708587485,0.19728771160304298
EOS-2-09511,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)nc1,JZIDGINZNWIEBE-UHFFFAOYSA-N,2,1,0.302,10,37,454.885,3.488,6,0.401,0.72,0.997,0.012576245630868343,0.11750394078541566,0.28614385580152146,0.3832242478240011,0.19986207251045163
EOS-2-09512,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)n4)n23)cc1,BCZMHACTXAQJMF-UHFFFAOYSA-N,2,1,0.333,67,642,454.885,3.488,6,0.401,0.71,1.0,0.031569117949420876,0.22438489479816326,0.282571448152971,0.3898721814817353,0.23209941059557262
EOS-2-09513,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,DILANBJYTTZOLE-UHFFFAOYSA-N,2,1,0.362,67,642,454.885,3.488,6,0.401,0.69,1.0,0.0367521074635049,0.244945514358166,0.2970238503186896,0.3988931533136865,0.24440365636351175
EOS-2-09514,Cn1nccc1-c1cnc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)cn1,FHNRPCVLFBMFJN-UHFFFAOYSA-N,2,1,0.28,10,151,454.885,3.488,6,0.401,0.61,1.0,0.012584812555685011,0.12457165375916661,0.3408351038311288,0.427609485299157,0.22640026386128437
EOS-2-09515,FC(F)Oc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)c1,WRTLKBMWVHWJCL-UHFFFAOYSA-N,2,1,0.448,96,574,454.889,6.442,5,0.306,0.7,1.0,0.5490542115002399,0.8822818860941677,0.9759783428140635,0.9825920087725311,0.8474766122952505
EOS-2-09516,FC(F)Oc1ccc(-c2nnc3cncc(-c4cscc4-c4cccc(Cl)c4)n23)cc1,AKHBDBQLXMMXDR-UHFFFAOYSA-N,2,1,0.53,96,121,454.889,6.442,5,0.306,0.8,1.0,0.5152148584744021,0.7695925570557193,0.9811184977040641,0.9867812350078816,0.8131767870605168
EOS-2-09517,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)c(F)c1,RMFPWWVNBCCGGE-UHFFFAOYSA-N,2,1,0.518,57,962,454.889,6.03,5,0.325,0.68,1.0,0.9309591529024741,0.9463710506476595,0.9683452128024125,0.9769207045438969,0.9556490302241107
EOS-2-09518,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cc(F)cc(F)c4)s3)n12,KBXZFASZKPARSP-UHFFFAOYSA-N,2,1,0.378,45,140,454.889,6.127,5,0.328,0.7,1.0,0.5335395106572545,0.6966451922417929,0.9581762730450277,0.9657837022822288,0.788536169556576
EOS-2-09519,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ccsc4)cc3F)n12,HRPQAWSXYLDSBG-UHFFFAOYSA-N,2,1,0.531,59,146,454.889,6.03,5,0.325,0.74,1.0,0.937487149612775,0.9426872729764924,0.9745819340689467,0.981975190185731,0.9591828867109863
EOS-2-09520,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccs5)cc4F)n23)cc1Cl,NODBSMXRCJGFKA-UHFFFAOYSA-N,2,1,0.615,57,951,454.889,6.03,5,0.325,0.74,1.0,0.9856761017065314,0.9767579329723802,0.9749246110616133,0.9805530806661641,0.9794779316016723
EOS-2-09521,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccsc5)c4)n23)ccc1Cl,ACVGLDAIQWGVEQ-UHFFFAOYSA-N,2,1,0.662,59,13,454.889,6.03,5,0.325,0.71,1.0,0.9805787814406141,0.9729799191282297,0.9794907819888973,0.9843396614351313,0.9793472859982181
EOS-2-09522,Fc1ccc(-c2cscc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,PEOAQGNXMOYCBD-UHFFFAOYSA-N,2,1,0.685,57,13,454.889,6.03,5,0.325,0.7,1.0,0.9828061818929477,0.9811613323281475,0.9753529573024468,0.9817610170653143,0.980270372147214
EOS-2-09523,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)sc1-c1cocn1,RGXKTKTYAOVAFA-UHFFFAOYSA-N,2,1,0.438,58,954,454.899,4.186,5,0.337,0.53,0.992,0.5003598108423001,0.36966280583921596,0.2458793091631828,0.24080768967171545,0.33917740387910356
EOS-2-09524,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ncno1,WNPUJVPDQLDQHW-UHFFFAOYSA-N,2,1,0.511,15,771,454.899,4.186,5,0.361,0.68,1.0,0.7798385991364539,0.6818072784593242,0.41857137961757246,0.367469673086149,0.5619217325748749
EOS-2-09525,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ncco1,QGVFSLBOYVCWJK-UHFFFAOYSA-N,2,1,0.473,49,501,454.899,4.186,5,0.361,0.59,0.991,0.6690853951065725,0.5287848673840039,0.21389897882256184,0.19157357275032555,0.40083570351586595
EOS-2-09526,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ncon1,PANUYOQMVNNBFR-UHFFFAOYSA-N,2,1,0.534,15,604,454.899,4.186,5,0.361,0.69,1.0,0.8656963196490988,0.7389572339113152,0.3934874237543691,0.34791995065451303,0.586515231992324
EOS-2-09527,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1nnco1,LTQYCRYTASBHQV-UHFFFAOYSA-N,2,1,0.516,72,925,454.899,4.186,5,0.361,0.69,1.0,0.8235813172503598,0.7249160441367967,0.414844767322322,0.36408573778356523,0.5818569666232609
EOS-2-09528,Cn1c(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cs2)n[nH]c1=O,HPFDKQOGKJVLGI-UHFFFAOYSA-N,2,1,0.444,87,954,454.903,2.611,5,0.392,0.53,1.0,0.3906175039407854,0.26507778767733536,0.0636865190871085,0.1052532382975807,0.2061587622507025
EOS-2-09529,COc1cc(-c2nnc3cncc(OCc4nnc(-c5cncn5C)s4)n23)ccc1Cl,YGOFDSHJHFDEHS-UHFFFAOYSA-N,2,1,0.467,36,67,454.903,3.284,5,0.385,0.77,1.0,0.4261445411555068,0.5860290590089782,0.1541960797752039,0.16682372695497225,0.3332983517236653
EOS-2-09530,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)s4)n23)ccc1-c1cnnn1C,FVIXSOVHHUYMNO-UHFFFAOYSA-N,2,1,0.494,36,638,454.903,3.284,5,0.385,0.63,1.0,0.3700311836063327,0.4700414639161127,0.21054074429442807,0.1777722568706737,0.30709641217188677
EOS-2-09531,COc1ncncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)nn1C,GEOWDHSTZDWUOU-UHFFFAOYSA-N,2,1,0.406,31,694,454.903,3.284,5,0.385,0.52,0.991,0.307535467068741,0.32609999314646015,0.17007059146048933,0.15118052223973683,0.23872164347885683
EOS-2-09532,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1-c1cnn(C)c(=O)c1,LJUFDDGVDUQXKH-UHFFFAOYSA-N,2,1,0.415,95,694,454.903,2.579,5,0.402,0.56,0.994,0.23240353642656433,0.23995956411486533,0.1450980056199027,0.1668322938797889,0.1960733500102803
EOS-2-09533,Cc1csc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(O)c5)n34)n(C)n2)n1,TYZLPHPIJSCFAN-UHFFFAOYSA-N,2,1,0.452,36,404,454.903,3.29,5,0.43,0.6,0.116,0.46296518401754505,0.6769498320882736,0.040555822082105404,0.06911794942087589,0.31239719690219997
EOS-2-09534,COc1nc(-c2nnc3cncc(OCc4ccsc4Cl)n23)ccc1-c1nncn1C,KKVJOVJAGKQLKZ-UHFFFAOYSA-N,2,1,0.383,31,180,454.903,3.284,5,0.385,0.62,1.0,0.4214670002056062,0.4029367418271537,0.13927249674456857,0.13227331916935098,0.27398738948666984
EOS-2-09535,CN=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)c2)s1,KKHQJZJXVWFDQS-UHFFFAOYSA-N,2,1,0.439,87,227,454.903,3.036,5,0.418,0.58,0.486,0.4803389075457474,0.37440031526283324,0.14217668425741894,0.14120005482831882,0.2845289904735796
EOS-2-09536,COc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)s1,WBLDQXYABUYFLC-UHFFFAOYSA-N,2,1,0.542,36,32,454.903,3.284,5,0.385,0.68,0.988,0.5759543554245768,0.7607600575697347,0.08309917072167775,0.10526180522239736,0.38126884723459664
EOS-2-09537,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)ccn2)n(C)n1,OWEPFISZVBDJBZ-UHFFFAOYSA-N,2,1,0.473,31,779,454.907,2.417,5,0.38,0.58,1.0,0.3102511822356247,0.42140703173188954,0.006416626687684189,0.008644027140017819,0.18667971694880406
EOS-2-09538,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)ncn1,SEYJOLDUJMLQDZ-UHFFFAOYSA-N,2,1,0.356,31,296,454.907,2.591,5,0.365,0.62,0.973,0.2565793982592009,0.22439346172297991,0.013741347405935165,0.023413405523953122,0.12953190322801728
EOS-2-09539,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c(F)c2)cn1,XDTKGLOKIBNETJ-UHFFFAOYSA-N,2,1,0.517,37,563,454.918,4.667,5,0.373,0.79,1.0,0.7857240764855048,0.7991141799739565,0.7339284490439312,0.7420841614693989,0.7652127167431978
EOS-2-09540,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1F,PEKLYKCUXDHMAN-UHFFFAOYSA-N,2,1,0.478,26,911,454.918,5.108,5,0.356,0.75,1.0,0.6535792611884038,0.7294650812144473,0.7439860187786992,0.7420927283942156,0.7172807723939415
EOS-2-09541,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)cc1F,FJPAVFWDZSRHMY-UHFFFAOYSA-N,2,1,0.578,37,353,454.918,4.667,5,0.373,0.6,1.0,0.8452385031868961,0.8568638201631142,0.6786375162771572,0.6987783565211432,0.7698795490370777
EOS-2-09542,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1F,KDINQUUSUUBGFC-UHFFFAOYSA-N,2,1,0.517,37,353,454.918,4.667,5,0.373,0.73,1.0,0.9108183126584881,0.890394763895552,0.6361370022616681,0.6612123912000548,0.7746406175039408
EOS-2-09543,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)cn1,BNWSEDHXPIEKNO-UHFFFAOYSA-N,2,1,0.523,37,563,454.918,4.667,5,0.373,0.72,1.0,0.7713230758686862,0.814988691659242,0.7439945857035158,0.7523387704749503,0.7706612809265986
EOS-2-09544,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1F,PFFWQBQQSGWZFS-UHFFFAOYSA-N,2,1,0.511,26,563,454.918,4.667,5,0.373,0.75,1.0,0.9092762661914879,0.8439877321636625,0.7234596669179632,0.7368840381056816,0.8034019258446988
EOS-2-09545,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1ccc(F)cc1,KRANUBBYPGRSAN-UHFFFAOYSA-N,2,1,0.477,95,266,454.918,4.667,5,0.373,0.7,1.0,0.601869302994997,0.6047477897333973,0.5717822630388596,0.658265369063121,0.6091661812075937
EOS-2-09546,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)cc1F,KROHLQRIIUXWFV-UHFFFAOYSA-N,2,1,0.565,26,125,454.918,4.667,5,0.373,0.6,1.0,0.8235898841751764,0.7738331848399699,0.7650006853539854,0.7702265094921527,0.7831625659653211
EOS-2-09547,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c(F)c1,WLRNZCJWWQEQGE-UHFFFAOYSA-N,2,1,0.5,26,563,454.918,4.667,5,0.373,0.71,1.0,0.8802772256870673,0.8227417586183263,0.7102580357754781,0.7259012404907135,0.7847945651428964
EOS-2-09548,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)n1,MIZZZRPNVRLROI-UHFFFAOYSA-N,2,1,0.511,37,639,454.918,4.667,5,0.373,0.74,1.0,0.8385306010554452,0.8568723870879309,0.6839404427386745,0.7015711740113769,0.7702286512233568
EOS-2-09549,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccc2F)n1,YFUPPQBIJWTTGG-UHFFFAOYSA-N,2,1,0.506,37,639,454.918,4.667,5,0.373,0.74,1.0,0.8154513055993421,0.8568809540127476,0.6867503940785415,0.7070111712699609,0.7665234562401481
EOS-2-09550,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5sc(F)cc5Cl)n34)c2)cn1,XTBVWUUFCUAGTB-UHFFFAOYSA-N,2,1,0.483,4,388,454.918,5.108,5,0.356,0.69,1.0,0.36080460557878147,0.47005003084092933,0.6703961346035228,0.6788002878486739,0.5450127647179768
EOS-2-09551,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccc2F)cn1,GUVIZAHJPQDNAU-UHFFFAOYSA-N,2,1,0.5,4,394,454.918,5.108,5,0.356,0.69,1.0,0.47039270783359605,0.6424165581522857,0.7363271879925982,0.7394626824754986,0.6471497841134946
EOS-2-09552,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccc2F)cn1,ZGTWVYXOJQIFLW-UHFFFAOYSA-N,2,1,0.518,37,394,454.918,4.667,5,0.373,0.69,1.0,0.762816119525735,0.8265112055376602,0.7488777328490165,0.7601432389829347,0.7745870742238365
EOS-2-09553,Cn1nc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1ccc(Cl)c(F)c1,HKSCGWAZQFASIP-UHFFFAOYSA-N,2,1,0.517,95,998,454.918,4.667,5,0.373,0.66,1.0,0.5127989856761017,0.497318552532383,0.6676547186621891,0.7180882050579124,0.5989651154821465
EOS-2-09554,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c(F)c1,QPULMPKAHWWMJZ-UHFFFAOYSA-N,2,1,0.467,26,448,454.918,5.108,5,0.356,0.71,1.0,0.6783548077582071,0.7111832636556782,0.7312555685011308,0.7284713179357138,0.7123162394626825
EOS-2-09555,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)s1,YREPSJAZTPXQML-UHFFFAOYSA-N,2,1,0.512,84,752,454.918,4.667,5,0.373,0.65,1.0,0.5437941196628059,0.42581043108765676,0.5843499417449113,0.6354173805770681,0.5473429682681105
EOS-2-09556,Clc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)s4)n23)cn1,ZXOIRDVECCKYQU-UHFFFAOYSA-N,2,1,0.31,30,668,454.946,6.026,6,0.326,0.68,1.0,0.007693098485367692,0.09230861489959565,0.7210523610444795,0.8293554245767939,0.41260237475155914
EOS-2-09557,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)cn2)c1,JIEWACKNVGFPCW-UHFFFAOYSA-N,2,1,0.329,3,668,454.946,6.026,6,0.326,0.73,1.0,0.034044959221437875,0.21912480296072923,0.8236412857240765,0.877527242820917,0.4885845726817901
EOS-2-09558,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)nn1C,UAWCNGRJNZIKBC-UHFFFAOYSA-N,2,1,0.398,31,569,454.947,3.745,5,0.372,0.55,1.0,0.22709204304023028,0.1691967651291892,0.1359913645397848,0.15633781097937086,0.17215449592214377
EOS-2-09559,COc1cc(-c2nnc3cncc(OCc4cscc4Cl)n23)ccc1-c1ccsc1,OAGOBEDHKWGQCN-UHFFFAOYSA-N,2,1,0.506,16,103,454.964,5.822,5,0.323,0.61,1.0,0.854550750462614,0.782442944280721,0.8293211568775273,0.7890566102391885,0.8138428654650127
EOS-2-09560,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccsc1,ICCQLSVCXDHRFU-UHFFFAOYSA-N,2,1,0.524,97,83,454.964,5.822,5,0.323,0.64,1.0,0.7596549242683847,0.778082379549037,0.7875145637721883,0.7444914673428826,0.7674358337331232
EOS-2-09561,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)s2)cs1,RRICMAJGRHWWMC-UHFFFAOYSA-N,2,1,0.462,58,477,454.968,4.955,5,0.361,0.74,0.982,0.5308837639640874,0.4829518196148311,0.24964018915769995,0.3035946816530738,0.39176761359742307
EOS-2-09562,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5scc(C)c5Cl)n34)cn2)cs1,HDUOVCRPHPAKFA-UHFFFAOYSA-N,2,1,0.477,55,786,454.968,5.221,5,0.362,0.68,1.0,0.517793502844219,0.6282297306558837,0.34456171612637926,0.34463881844972927,0.45880594201905284
EOS-2-09563,Cc1csc(COc2cncc3nnc(-c4cc(-c5csc(C)n5)ccc4Cl)n23)n1,GPDBNGMDKQOHJC-UHFFFAOYSA-N,2,1,0.5,4,92,454.968,5.221,5,0.362,0.74,1.0,0.5203635802892194,0.7065314234802276,0.29703241724350626,0.3131553697484751,0.459270697690357
EOS-2-09564,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cs1,XBEPAGQXIKYMHA-UHFFFAOYSA-N,2,1,0.5,58,954,454.968,4.955,5,0.361,0.74,1.0,0.7329689534644644,0.8507556027688301,0.2970409841683229,0.3252947022136934,0.5515150606538277
EOS-2-09565,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cn2)s1,WFYZXXGQRUANMN-UHFFFAOYSA-N,2,1,0.539,65,76,454.968,4.955,5,0.361,0.57,1.0,0.6660698375711055,0.807304160098691,0.352280515386197,0.3770988965800836,0.5506883524090193
EOS-2-09566,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)s1,VJLLCQWHQVDWNS-UHFFFAOYSA-N,2,1,0.553,72,889,454.968,4.955,5,0.361,0.69,1.0,0.8657048865739154,0.8904033308203687,0.2787848673840038,0.3284730313206771,0.5908415290247412
EOS-2-09567,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cs1,MBUZCUTYYMWRII-UHFFFAOYSA-N,2,1,0.529,58,819,454.968,4.955,5,0.361,0.73,1.0,0.7538294153930505,0.7738417517647865,0.30435713796175723,0.33511239805359466,0.5417851757932972
EOS-2-09568,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)s1,KLRHSTXPLCISHZ-UHFFFAOYSA-N,2,1,0.506,87,579,454.968,4.955,5,0.361,0.68,1.0,0.7021965595229936,0.8370827907614283,0.3077582071139744,0.3351209649784114,0.545539630594202
EOS-2-09569,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)s1,SIWVZWCHHNPXBZ-UHFFFAOYSA-N,2,1,0.511,72,628,454.968,4.955,5,0.361,0.69,1.0,0.7566993352066342,0.8149972585840587,0.26036597902816805,0.3162051949832088,0.5370669419505174
EOS-2-09570,Cc1nc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)s1,SQIWKNBJLVXKRS-UHFFFAOYSA-N,2,1,0.55,15,655,454.968,4.955,5,0.361,0.62,1.0,0.6783633746830238,0.7389658008361318,0.21054931121924475,0.2881742169830718,0.4790131759303681
EOS-2-09571,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)ns1,GTXCXZPHJTULRF-UHFFFAOYSA-N,2,1,0.535,15,561,454.968,4.955,5,0.361,0.7,1.0,0.7022051264478103,0.765317661572202,0.24588787608799945,0.3036032485778905,0.5042534781714756
EOS-2-09572,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5csc(Cl)c5)n34)ccn2)cs1,GWCGVNKVYXDVCI-UHFFFAOYSA-N,2,1,0.518,75,583,454.968,4.955,5,0.361,0.71,1.0,0.7209324240970462,0.7017596463573436,0.3597680076759646,0.3738605989993832,0.5390801692824344
EOS-2-09573,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ccn2)cs1,NJVHEJFTYFOGCQ-UHFFFAOYSA-N,2,1,0.531,75,583,454.968,4.955,5,0.361,0.66,1.0,0.6783719416078404,0.6623346583510383,0.34864813926392985,0.37386916592419983,0.5158059762867521
EOS-2-09574,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)s1,UGSJCOLDNHFSTK-UHFFFAOYSA-N,2,1,0.529,75,819,454.968,4.955,5,0.361,0.64,1.0,0.7209409910218628,0.7436090740867658,0.25653656363511756,0.29421389897882255,0.5038251319306422
EOS-2-09575,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cs1,JAVHUYSSPAGMEZ-UHFFFAOYSA-N,2,1,0.473,87,173,454.968,4.955,5,0.361,0.65,1.0,0.6388612843533685,0.7017682132821602,0.35977657460078133,0.38323281474881776,0.5209097217462819
EOS-2-09576,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)s1,PRBUPCJRHUVHFP-UHFFFAOYSA-N,2,1,0.556,72,628,454.968,4.955,5,0.361,0.58,1.0,0.7113974367760949,0.7910098690973888,0.3005191556438901,0.3574035364265643,0.5400824994859845
EOS-2-09577,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ccn2)s1,WODOAGBVMBTOOT-UHFFFAOYSA-N,2,1,0.524,75,496,454.968,4.955,5,0.361,0.58,1.0,0.6629686107874717,0.6917020766225755,0.3636059899938318,0.38635117538208485,0.526156963196491
EOS-2-09578,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)s1,ACNKLDUYSILUSQ-UHFFFAOYSA-N,2,1,0.534,75,43,454.968,4.955,5,0.361,0.74,1.0,0.6813275306695908,0.7524073058734837,0.31899801247344256,0.344647385374546,0.5243450585977658
EOS-2-09579,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)sn1,PNZTXYYFXOVTQZ-UHFFFAOYSA-N,2,1,0.534,75,43,454.968,4.955,5,0.361,0.65,1.0,0.6188318141319992,0.7342968268110479,0.30776677403879105,0.35108971283668017,0.5029962819546295
EOS-2-09580,Cn1cnnc1-c1cc(-c2nnc3cncc(OCCc4scnc4Cl)n23)cs1,MYRVDXZSWBGPNV-UHFFFAOYSA-N,2,1,0.473,65,779,444.933,3.38,5,0.396,0.6,1.0,0.38153656363511756,0.3744088821876499,0.03912514563772188,0.07871290521554383,0.2184458741690083
EOS-2-09581,Cc1nsc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nn2C)n1,CPZFNSNLGBAGSV-UHFFFAOYSA-N,2,1,0.418,31,105,444.933,3.646,5,0.408,0.54,1.0,0.25658796518401755,0.30117024192995684,0.036426564320471526,0.05942875745322459,0.16340338222191764
EOS-2-09582,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,VCWJUZBLIVSRJR-UHFFFAOYSA-N,2,1,0.687,91,660,444.926,4.95,5,0.355,0.78,1.0,0.872267150983483,0.8187238708793092,0.7028048111849771,0.7015797409361936,0.7738438934959907
EOS-2-09583,CCc1c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccccc2)nn1C,JXFLEVTZLBFSQV-UHFFFAOYSA-N,2,1,0.6,43,372,444.926,4.987,5,0.369,0.72,1.0,0.5178020697690358,0.7738503186896032,0.359785141525598,0.4652182852443287,0.5291639538071414
EOS-2-09584,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,ZCDFFSKGTWREAM-UHFFFAOYSA-N,2,1,0.714,91,660,444.926,4.95,5,0.355,0.85,1.0,0.8613014872181481,0.8688146802823659,0.7181310396819958,0.7042097868549105,0.7881142485093551
EOS-2-09585,CCn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)cn1,SRSCVJOBPUIKQJ-UHFFFAOYSA-N,2,1,0.541,43,623,444.926,5.216,5,0.359,0.73,1.0,0.49509115208004933,0.6424251250771024,0.7790333082036872,0.7421012953190322,0.6646627201699677
EOS-2-09586,Cc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4ccnn4C)cc3)n12,ZALDENXFWPFZGQ-UHFFFAOYSA-N,2,1,0.654,91,660,444.926,4.775,5,0.377,0.67,1.0,0.7567079021314509,0.8033034062093071,0.7512850387225002,0.7100095949557946,0.7553264855047632
EOS-2-09588,CCn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)c1,ZOJVUVMVLJKQDW-UHFFFAOYSA-N,2,1,0.655,91,742,444.926,4.95,5,0.355,0.75,1.0,0.6444640531834692,0.662343225275855,0.6786460832019738,0.6758104310876568,0.6653159481872387
EOS-2-09589,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)c(Cl)c4)n23)s1,BNGBSMLWQGMBPS-UHFFFAOYSA-N,2,1,0.568,4,744,444.907,5.019,5,0.378,0.74,1.0,0.782854156671921,0.8742461106161332,0.859810842300048,0.8671269960934823,0.8460095264203961
EOS-2-09590,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cc1,VRIVXKIBRJEVMQ-UHFFFAOYSA-N,2,1,0.433,1,122,444.907,5.019,5,0.378,0.78,1.0,0.6842317181824412,0.7479525049688164,0.8360890274826948,0.8590483859913646,0.7818304091563293
EOS-2-09591,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnc(-c4cccs4)s3)n12,XSVLYMMDSCSYJV-UHFFFAOYSA-N,2,1,0.548,34,10,444.904,4.743,5,0.389,0.7,1.0,0.6753049825234734,0.8600592831197313,0.35979370845041464,0.5257093413748201,0.6052168288671098
EOS-2-09592,Fc1cc(-c2ncc(-c3nnc4cncc(OCc5ccsc5)n34)s2)cnc1Cl,IMRHTJCOOFTXAB-UHFFFAOYSA-N,2,1,0.443,55,879,444.904,4.743,5,0.364,0.71,1.0,0.5649201562607087,0.6047563566582139,0.5449078198889726,0.6087999451716811,0.5808460694948941
EOS-2-09593,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)n4)n23)cs1,COACHTUHWJPBEB-UHFFFAOYSA-N,2,1,0.42,46,223,444.904,4.743,5,0.364,0.66,1.0,0.6902799671030087,0.6330786101021177,0.6035141525597971,0.6469912960043863,0.6434660064423274
EOS-2-09594,Fc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)cs1,CHLZASADWFLJIC-UHFFFAOYSA-N,2,1,0.5,24,786,444.904,4.743,5,0.389,0.69,1.0,0.6721866218902063,0.7991227468987732,0.5517270920430403,0.5844870125419779,0.6518808683434995
EOS-2-09595,Cc1nc(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)c(C)n1,PVBXCVWWPFYBHK-UHFFFAOYSA-N,2,1,0.429,96,46,444.901,5.633,5,0.36,0.79,1.0,0.4562487149612775,0.7111918305804948,0.7812007401823041,0.80026214789939,0.6872258584058666
EOS-2-09598,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1,DCTQFQIQNJMIOR-UHFFFAOYSA-N,2,1,0.887,83,497,444.897,5.872,5,0.328,0.89,1.0,0.99951168528545,0.9999828661503667,0.9576108560071277,0.9692276060585292,0.9815832533753684
EOS-2-09599,Fc1cccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1,PPEUJYUGKYWUJJ-UHFFFAOYSA-N,2,1,0.812,83,497,444.897,5.872,5,0.328,0.88,1.0,0.9950311836063327,0.99982009457885,0.9547580700431773,0.9677198272907956,0.9793322938797888
EOS-2-09600,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)ccc1Cl,WVRGZRHJUXNWBC-UHFFFAOYSA-N,2,1,0.838,79,650,444.897,5.872,5,0.328,0.84,1.0,0.9972500171338496,0.9961106161332328,0.9539870468096772,0.9630422863408951,0.9775974916044137
EOS-2-09601,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)cc1,FMWNJUNXFCWSEL-UHFFFAOYSA-N,2,1,0.809,83,497,444.897,5.872,5,0.328,0.88,1.0,0.9789767664998972,0.9900023987389487,0.9539956137344938,0.967222945651429,0.9725494311561922
EOS-2-09602,Fc1cccc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,OGMIDVKWISLPRH-UHFFFAOYSA-N,2,1,0.789,79,497,444.897,5.872,5,0.328,0.84,1.0,0.9910903981906655,0.9992975121650333,0.9513827016654102,0.9667003632376122,0.9771177438146803
EOS-2-09603,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)ccc1Cl,IYYPKHFQJYZYJP-UHFFFAOYSA-N,2,1,0.908,79,650,444.897,5.872,5,0.328,0.84,1.0,0.9945257350421493,0.991904256048249,0.9540041806593106,0.9630508532657117,0.9758712562538552
EOS-2-09604,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)cc4)n23)cc1F,VVNLQIITBBNNEA-UHFFFAOYSA-N,2,1,0.597,57,23,444.897,6.138,5,0.327,0.85,1.0,0.9762867521074635,0.97470187101638,0.9709324240970462,0.9740336508806798,0.9739886745253924
EOS-2-09605,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccc(Cl)c5)cc4)n23)cc1,AAXUBMABMREZTQ-UHFFFAOYSA-N,2,1,0.812,83,497,444.897,5.872,5,0.328,0.87,1.0,0.9941744911246659,0.9991347405935166,0.954766636967994,0.9677283942156124,0.9789510657254472
EOS-2-09606,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1-c1ccccc1,UJGQNKZLHWPCAZ-UHFFFAOYSA-N,2,1,0.812,79,650,444.897,5.872,5,0.328,0.85,1.0,0.997472757179083,0.9995802206839832,0.9489325611678432,0.9636762387773284,0.9774154444520594
EOS-2-09608,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5Cl)cc4)n23)cc1,XNRQATKOPOGPAB-UHFFFAOYSA-N,2,1,0.812,83,497,444.897,5.872,5,0.328,0.85,1.0,0.9982009457884997,0.9987834966760332,0.9540127475841272,0.9677369611404291,0.9796835377972722
EOS-2-09609,Fc1ccccc1-c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,IUXSHQZNSOKAJK-UHFFFAOYSA-N,2,1,0.812,83,497,444.897,5.872,5,0.328,0.86,1.0,0.9986464258789665,0.9998029607292166,0.9540213145089439,0.9672315125762456,0.9799255534233431
EOS-2-09611,Fc1cc(Cl)ccc1-c1cccc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,LJRBMBOMVSQUOX-UHFFFAOYSA-N,2,1,0.781,79,650,444.897,5.872,5,0.328,0.75,1.0,0.9762953190322802,0.9881262422040984,0.9447604687821259,0.9581762730450277,0.9668395757658831
EOS-2-09612,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1,NAGDQPMNWWSWNL-UHFFFAOYSA-N,2,1,0.887,83,497,444.897,5.872,5,0.328,0.88,1.0,0.9993146460146666,0.9995887876088,0.9576194229319444,0.9692361729833459,0.9814397573846892
EOS-2-09613,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c1,BQRACWSXKAJPBF-UHFFFAOYSA-N,2,1,0.809,83,497,444.897,5.872,5,0.328,0.87,1.0,0.9940374203275992,0.9980124734425331,0.9540298814337606,0.9672400795010623,0.9783299636762388
EOS-2-09614,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)c1,OBWHCCSKQUJTLT-UHFFFAOYSA-N,2,1,0.74,79,497,444.897,5.872,5,0.328,0.81,1.0,0.9740936193543965,0.9875779590158317,0.9501661983414433,0.9657922692070454,0.9694075114796792
EOS-2-09615,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,KBSAYJMJAQAFEX-UHFFFAOYSA-N,2,1,0.703,79,650,444.897,5.872,5,0.328,0.79,1.0,0.9882804468507984,0.9927609485299157,0.9496007813035433,0.9606521143170448,0.9728235727503256
EOS-2-09616,Cc1ccncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nn1,UIBRFUCVPJCQSE-UHFFFAOYSA-N,2,1,0.423,54,411,444.886,3.622,5,0.366,0.62,0.983,0.6048505928311974,0.6096309368788979,0.2897590980741553,0.3284815982454938,0.4581805565074361
EOS-2-09617,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)cn2)n1,MNERNQASLCNMCX-UHFFFAOYSA-N,2,1,0.505,65,981,444.886,3.622,5,0.366,0.51,1.0,0.8209170036323761,0.8688232472071825,0.34084367075594546,0.34792851757932974,0.5946281097937084
EOS-2-09618,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)n1,UPSHDPRFPBJIAN-UHFFFAOYSA-N,2,1,0.511,75,530,444.886,3.622,5,0.391,0.61,1.0,0.6629771777122884,0.6867503940785415,0.329946542389144,0.3479370845041464,0.50690279967103
EOS-2-09619,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cn1,ILKHLDCVSHAAEH-UHFFFAOYSA-N,2,1,0.516,75,819,444.886,3.622,5,0.366,0.66,1.0,0.627295935850867,0.6966537591666095,0.30436570488657394,0.30361181550270716,0.48298180385168943
EOS-2-09620,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)cn1,FLZNMRDSULNHJT-UHFFFAOYSA-N,2,1,0.44,44,238,444.886,3.622,5,0.366,0.68,1.0,0.6993266397094099,0.647719484613803,0.422477897333973,0.3989017202385032,0.5421064354739222
EOS-2-09621,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1ccncn1,PHRGEXFGISVUBF-UHFFFAOYSA-N,2,1,0.436,46,717,444.886,3.833,5,0.364,0.65,0.989,0.5490627784250566,0.5061767527928175,0.3371855938592283,0.33189980124734425,0.4310812315811116
EOS-2-09622,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)cn1,TXEHDEYVRDKMRH-UHFFFAOYSA-N,2,1,0.458,44,238,444.886,3.622,5,0.391,0.63,0.99,0.6076262764717977,0.6144284147762319,0.367212665341649,0.37387773284901654,0.49078627235967376
EOS-2-09623,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cn1,WFBUKMOBFHXANP-UHFFFAOYSA-N,2,1,0.522,87,282,444.886,3.622,5,0.391,0.68,1.0,0.7828627235967377,0.8688318141319992,0.37110204920841616,0.3510982797614968,0.5934737166746625
EOS-2-09624,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)n1,KEDGDALXXDRWHZ-UHFFFAOYSA-N,2,1,0.505,75,530,444.886,3.622,5,0.391,0.61,1.0,0.7656774724145021,0.7158522376807621,0.3789322184908505,0.3863597423069015,0.5617054177232541
EOS-2-09625,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCC=Cc4ccc(Cl)nc4)n23)c1,HJCSKOUPZHIGMS-UHFFFAOYSA-N,2,1,0.46,15,931,444.886,3.727,5,0.368,0.59,1.0,0.5359211157562881,0.5519926667123569,0.42955417723254063,0.37710746350490026,0.47364385580152146
EOS-2-09626,Cc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cncnc1,GYWIKHMCJCIELE-UHFFFAOYSA-N,2,1,0.414,87,954,444.886,3.622,5,0.366,0.6,0.919,0.590415324515112,0.652825371804537,0.32995510931396066,0.3413919539442122,0.4786469398944555
EOS-2-09627,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)ccn2)cn1,PNYSNWULNULZHR-UHFFFAOYSA-N,2,1,0.518,75,454,444.886,3.622,5,0.366,0.57,1.0,0.8182269892399424,0.7780909464738538,0.4044102528956206,0.38636830923171817,0.5967741244602837
EOS-2-09628,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)n1,SVSLVPHTXYTBFV-UHFFFAOYSA-N,2,1,0.523,75,530,444.886,3.622,5,0.366,0.56,1.0,0.7239222808580632,0.7065399904050442,0.3824446576656843,0.3704252621478994,0.5458330477691729
EOS-2-09629,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)cn1,IEOVLPXUNZBJHC-UHFFFAOYSA-N,2,1,0.517,75,530,444.886,3.622,5,0.391,0.65,1.0,0.7538379823178671,0.729473648139264,0.3898207799328353,0.3832413816736344,0.5640934480159001
EOS-2-09630,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)n1,NLZUBLFELFHYDG-UHFFFAOYSA-N,2,1,0.541,75,359,444.886,3.622,5,0.366,0.71,1.0,0.8080152148584744,0.7203927078335961,0.32625419779316017,0.31621376190802547,0.542718970598314
EOS-2-09631,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,NNCLDLHVSDYOKN-UHFFFAOYSA-N,2,1,0.433,18,720,444.886,3.622,5,0.366,0.72,0.999,0.5308923308889041,0.5658282502912755,0.29704955109313963,0.30045062024535674,0.42355518812966897
EOS-2-09632,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4ncccn4)n23)n1,YKKSVJYNVPLRSS-UHFFFAOYSA-N,2,1,0.461,44,531,444.886,3.622,5,0.391,0.77,1.0,0.6076348433966143,0.7065485573298609,0.19643958604619285,0.2646665752861353,0.44382239051470085
EOS-2-09633,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cn1,BNNLJEFAUVBTGY-UHFFFAOYSA-N,2,1,0.536,75,454,444.886,3.622,5,0.366,0.71,1.0,0.7798471660612707,0.7780995133986705,0.4408882187649921,0.39891028716331983,0.5994362963470632
EOS-2-09634,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,RZAWVKKFKLTGQF-UHFFFAOYSA-N,2,1,0.43,18,720,444.886,3.622,5,0.366,0.64,1.0,0.6133232814748818,0.6235264889315332,0.39729113837296964,0.38013158796518404,0.5035681241861422
EOS-2-09635,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)n1,OCBOLBUTWGFISA-UHFFFAOYSA-N,2,1,0.489,75,819,444.886,3.622,5,0.366,0.68,1.0,0.6415769995202522,0.672092385717223,0.2970581180179563,0.3069272154067576,0.47941367966554727
EOS-2-09636,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)n1,PBIBETZHUCULGV-UHFFFAOYSA-N,2,1,0.527,65,981,444.886,3.622,5,0.391,0.6,1.0,0.8235984510999932,0.860067850044548,0.3711106161332328,0.377116030429717,0.6079732369268728
EOS-2-09637,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)cn1,NMHQDSAOCWMZKO-UHFFFAOYSA-N,2,1,0.528,75,530,444.886,3.622,5,0.391,0.58,1.0,0.6598074155301213,0.7065571242546775,0.33719416078404496,0.34465595229936263,0.5120536632170516
EOS-2-09638,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)c2)cn1,LKUAQELNYKXAOB-UHFFFAOYSA-N,2,1,0.5,15,4,444.886,3.622,5,0.366,0.69,1.0,0.702213693372627,0.8150058255088753,0.289767664998972,0.3036203824275238,0.5276518915769995
EOS-2-09639,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,MOQZPVZSMDKKCX-UHFFFAOYSA-N,2,1,0.49,65,858,444.886,3.622,5,0.366,0.59,1.0,0.7239308477828799,0.7343053937358646,0.4408967856898088,0.4306593105338908,0.582448084435611
EOS-2-09640,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)nc1,RRKDJVYGDNZJOG-UHFFFAOYSA-N,2,1,0.549,75,359,444.886,3.622,5,0.366,0.66,1.0,0.8261770954698101,0.7524158727983004,0.3408522376807621,0.3382478925364951,0.564423274621342
EOS-2-09641,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,BDXVTTKUIRPTIS-UHFFFAOYSA-N,2,1,0.5,2,419,444.886,3.622,5,0.366,0.7,1.0,0.7022222602974436,0.7607686244945514,0.4866698649852649,0.4464738537454595,0.5990336508806798
EOS-2-09642,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)nn1,QCKJRWWMWSVZNA-UHFFFAOYSA-N,2,1,0.5,58,241,444.886,3.622,5,0.366,0.68,1.0,0.6133318483996985,0.6966623260914262,0.2861524227263382,0.3004591871701734,0.47415144609690907
EOS-2-09643,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)c(C)n1,YPXIXKBHMLLOOD-UHFFFAOYSA-N,2,1,0.435,55,567,444.886,3.888,5,0.376,0.74,1.0,0.67531354944829,0.7112003975053115,0.41857994654238917,0.36087314097731477,0.5414917586183264
EOS-2-09644,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cn1,UUWQCVQEWXITFG-UHFFFAOYSA-N,2,1,0.533,87,579,444.886,3.622,5,0.391,0.67,1.0,0.7301076005756973,0.847534439037763,0.3262627647179768,0.3222277431293263,0.5565331368651909
EOS-2-09645,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)n1,GBJRBRABBKIGBY-UHFFFAOYSA-N,2,1,0.516,87,579,444.886,3.622,5,0.391,0.64,1.0,0.7538465492426838,0.837091357686245,0.3190065793982592,0.32223631005414294,0.5580451990953327
EOS-2-09646,Cc1cccc(-c2cnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)n1,WEWSYMHLKXMCIV-UHFFFAOYSA-N,2,1,0.436,18,578,444.886,3.622,5,0.366,0.67,1.0,0.662985744637105,0.6528339387293537,0.3262713316427935,0.3319083681721609,0.4934998457953533
EOS-2-09647,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cn1,MKWJIULZJWRUEO-UHFFFAOYSA-N,2,1,0.495,75,454,444.886,3.622,5,0.366,0.71,1.0,0.7269207045438969,0.7389743677609485,0.3486567061887465,0.3319169350969776,0.5366171783976423
EOS-2-09648,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)cn1,OHZQLJVLOUQBFY-UHFFFAOYSA-N,2,1,0.511,87,304,444.886,3.622,5,0.391,0.67,1.0,0.7114060037009116,0.8475430059625797,0.3299636762387773,0.33512953190322803,0.5560105544513742
EOS-2-09649,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn1,JFBPTCPJCPAYFP-UHFFFAOYSA-N,2,1,0.536,75,530,444.886,3.622,5,0.366,0.63,1.0,0.7269292714687136,0.7343139606606812,0.40441881982043726,0.3832499485984511,0.5622280001370707
EOS-2-09650,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)nc1C,HJGMMNVFMVNJIH-UHFFFAOYSA-N,2,1,0.615,16,320,444.886,3.888,5,0.376,0.75,1.0,0.7510537317524502,0.667140703173189,0.3043742718113906,0.2942224659036392,0.5041977931601673
EOS-2-09651,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)c(C)n1,YEJRPXCUDRDKJL-UHFFFAOYSA-N,2,1,0.494,55,879,444.886,3.888,5,0.376,0.77,1.0,0.6902885340278254,0.657442944280721,0.41114385580152146,0.3511068466863135,0.5274955451990954
EOS-2-09652,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)n1,NDOFFWKSJJUBQF-UHFFFAOYSA-N,2,1,0.523,75,530,444.886,3.622,5,0.366,0.61,1.0,0.7209495579466795,0.7112089644301282,0.3972997052977863,0.3863768761565349,0.5539587759577822
EOS-2-09653,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)n1,RSPJIFLMCNTUGZ-UHFFFAOYSA-N,2,1,0.464,58,579,444.886,3.622,5,0.366,0.63,1.0,0.6872986772668083,0.8110479062435748,0.28977623192378865,0.29734939346172296,0.5213680522239736
EOS-2-09654,Cc1cncc(-c2cccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)c2)n1,SZCRTQNNEUJQQL-UHFFFAOYSA-N,2,1,0.472,15,846,444.886,3.622,5,0.366,0.66,1.0,0.6993352066342265,0.7568192721540675,0.24589644301281613,0.27329346857651976,0.4938360975944075
EOS-2-09655,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)ccn2)n1,MQDRMDYESLSHGC-UHFFFAOYSA-N,2,1,0.451,75,99,444.886,3.888,5,0.402,0.67,1.0,0.604859159756014,0.5658368172160921,0.43715303954492496,0.39274210129531906,0.5001477794530875
EOS-2-09656,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)n1,QJAAVPVUYWMHPU-UHFFFAOYSA-N,2,1,0.539,15,561,444.886,3.622,5,0.366,0.71,1.0,0.9411794942087588,0.9022942224659036,0.30052772256870675,0.2942310328284559,0.6095581180179562
EOS-2-09657,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nn1,MROOIPMATUUCTA-UHFFFAOYSA-N,2,1,0.56,15,669,444.886,3.622,5,0.366,0.73,1.0,0.805213830443424,0.8187324378041259,0.38982934685765197,0.39572339113151944,0.6023747515591803
EOS-2-09658,Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)n1,ZTWPTDVVCZJKOC-UHFFFAOYSA-N,2,1,0.469,58,579,444.886,3.622,5,0.391,0.68,0.996,0.659815982454938,0.7991313138235899,0.2565451305599342,0.26779350284421904,0.4958214824206703
EOS-2-09659,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)nc1,GURBARKDIQNOIO-UHFFFAOYSA-N,2,1,0.495,65,279,444.886,3.622,5,0.391,0.65,1.0,0.6813360975944075,0.8110564731683915,0.2825800150777877,0.2942395997532726,0.5173030463984648
EOS-2-09660,Cc1cc(C)nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)n1,AQOFLVLIOLGVQF-UHFFFAOYSA-N,2,1,0.566,7,43,444.886,3.888,5,0.402,0.63,1.0,0.5003683777671167,0.5753975053114934,0.29706668494277294,0.2763689945857035,0.41230039065177165
EOS-2-09661,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn1,RQCVJLQBHXJJTD-UHFFFAOYSA-N,2,1,0.536,75,454,444.886,3.622,5,0.366,0.68,1.0,0.8052223973682407,0.7781080803234871,0.4517168117332602,0.4147590980741553,0.6124515968747858
EOS-2-09662,Cc1cnc(C)c(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)n1,QHFUFNQGGBFRHA-UHFFFAOYSA-N,2,1,0.523,75,99,444.886,3.888,5,0.376,0.69,1.0,0.5846754848879446,0.5287934343088205,0.32997224316359397,0.30046775409499005,0.43597722911383724
EOS-2-09663,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)nc1,DLEZVXAIFUARPY-UHFFFAOYSA-N,2,1,0.511,65,131,444.886,3.622,5,0.391,0.7,1.0,0.7857326434103215,0.7824515112055377,0.36722123226646564,0.37712459735453363,0.5781324960592147
EOS-2-09664,Cc1cc(C)c(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)nn1,ZTMMPWUPIQWNKT-UHFFFAOYSA-N,2,1,0.472,55,283,444.886,3.888,5,0.402,0.61,0.967,0.6783805085326571,0.6966708930162429,0.3560756630799808,0.34794565142896305,0.5197681790144609
EOS-2-09665,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)cn1,REUUEHLZWIIGQR-UHFFFAOYSA-N,2,1,0.45,18,194,444.886,3.622,5,0.366,0.62,1.0,0.6842402851072579,0.6671492700980056,0.4371616064697416,0.4116236035912549,0.550043691316565
EOS-2-09666,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nc1,LHJKAQYRFQQLJK-UHFFFAOYSA-N,2,1,0.512,65,131,444.886,3.622,5,0.366,0.66,1.0,0.7480638749914331,0.7607771914193681,0.3711191830580495,0.3608817079021315,0.5602104893427455
EOS-2-09667,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,WZOAJVHDHQTDNZ-UHFFFAOYSA-N,2,1,0.516,65,282,444.886,3.622,5,0.366,0.72,1.0,0.8385391679802618,0.8955520526351861,0.44090535261462543,0.404838599136454,0.6449587930916318
EOS-2-09668,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,CFFZLPPNUAXUOK-UHFFFAOYSA-N,2,1,0.458,87,858,444.886,3.622,5,0.366,0.58,1.0,0.6188403810568158,0.6867589610033582,0.34866527311356316,0.3446645192241793,0.4997322835994791
EOS-2-09669,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)n1,DPXRTLVXSRUXFW-UHFFFAOYSA-N,2,1,0.479,87,858,444.886,3.622,5,0.391,0.57,1.0,0.6873072441916249,0.7017767802069769,0.375,0.38988074840655196,0.5384911932012885
EOS-2-09670,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)n1,YKKLUHGXTAGDDK-UHFFFAOYSA-N,2,1,0.484,87,858,444.886,3.622,5,0.391,0.62,1.0,0.6902971009526421,0.7065656911794942,0.37112774998286613,0.3771331642793503,0.5362809265985882
EOS-2-09671,Cc1cccc(-c2nc(C)ccc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)n1,XEYMVVVGQBDMNF-UHFFFAOYSA-N,2,1,0.438,51,196,444.886,3.888,5,0.402,0.64,0.94,0.6018778699198136,0.6330871770269344,0.2105578781440614,0.20582893564526078,0.41283796518401755
EOS-2-09672,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)cn1,WJBGXAQCWHCPNM-UHFFFAOYSA-N,2,1,0.516,75,454,444.886,3.622,5,0.391,0.66,1.0,0.7567164690562675,0.747961071893633,0.382453224590501,0.37714173120416694,0.566068124186142
EOS-2-09673,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)ccn1,NLGCAZXCXYNFCO-UHFFFAOYSA-N,2,1,0.549,65,434,444.886,3.622,5,0.366,0.66,1.0,0.8182355561647591,0.8798403125214174,0.43717017339455827,0.3801401548900007,0.6288465492426839
EOS-2-09674,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)ccn1,QWSAHGSJRAJJJR-UHFFFAOYSA-N,2,1,0.429,18,194,444.886,3.622,5,0.391,0.61,0.975,0.5904238914399287,0.5565759714892742,0.37113631690768284,0.3771502981289836,0.47382161949146734
EOS-2-09675,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)nc4)n23)ncn1,KBDOCEVWXIBABE-UHFFFAOYSA-N,2,1,0.458,87,278,444.886,3.622,5,0.366,0.69,1.0,0.629925981769584,0.7781166472483038,0.3824617915153177,0.3771588650538003,0.5419158213967514
EOS-2-09676,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)n1,YWAQDWJGXIPJTH-UHFFFAOYSA-N,2,1,0.479,65,858,444.886,3.622,5,0.366,0.57,1.0,0.6962168460009595,0.7204012747584128,0.4295627441573573,0.414767664998972,0.5652371324789254
EOS-2-09677,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)n1,CJGHCOMRENJUPB-UHFFFAOYSA-N,2,1,0.448,87,858,444.886,3.622,5,0.366,0.59,1.0,0.6444726201082859,0.6671578370228223,0.3372027277088616,0.3479542183537797,0.49919685079843734
EOS-2-09678,Cc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)c2)n1,KCUNBVNNBQZAEZ-UHFFFAOYSA-N,2,1,0.417,18,720,444.886,3.622,5,0.366,0.59,1.0,0.6388698512781852,0.6001045164827633,0.34086080460557877,0.35419950654513055,0.4835086697279145
EOS-2-09679,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)c(Cl)c4)n23)ncn1,TXBGISQFLLSEPQ-UHFFFAOYSA-N,2,1,0.506,37,202,444.886,3.622,5,0.391,0.62,1.0,0.7567250359810842,0.8370999246110616,0.4831402919607978,0.4865670618874649,0.6408830786101022
EOS-2-09680,NCc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,WRQJOOORNCPDKV-UHFFFAOYSA-N,2,1,0.641,43,909,444.886,3.334,5,0.423,0.78,1.0,0.7741244602837366,0.6867675279281749,0.4044273867452539,0.4836885751490645,0.5872519875265575
EOS-2-09681,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nn4)n23)n1,OHPMIMJXIGTYMY-UHFFFAOYSA-N,2,1,0.461,54,691,444.886,3.622,5,0.391,0.77,0.98,0.7239394147076965,0.7991398807484066,0.2603745459529847,0.32530326913851004,0.5271892776368995
EOS-2-09682,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)cn2)cn1,UMHLEEVVJDWYQC-UHFFFAOYSA-N,2,1,0.538,65,904,444.886,3.622,5,0.391,0.7,1.0,0.79969673086149,0.8688403810568158,0.40799122746898775,0.39891885408813654,0.6188617983688576
EOS-2-09683,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,QSEYNYULRVNURD-UHFFFAOYSA-N,2,1,0.554,15,438,444.886,3.622,5,0.366,0.7,1.0,0.8052309642930574,0.8110650400932081,0.3672297991912823,0.38014872181481735,0.5909186313480913
EOS-2-09684,Cc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n1,VRRFLHIPWQZVBA-UHFFFAOYSA-N,2,1,0.412,18,720,444.886,3.622,5,0.391,0.64,1.0,0.647590980741553,0.6047649235830307,0.37500856692481666,0.3832585155232678,0.502655746693167
EOS-2-09685,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)nn1,VOQYBEKMPMHWPK-UHFFFAOYSA-N,2,1,0.522,58,579,444.886,3.622,5,0.391,0.64,1.0,0.7209581248714961,0.8406209307107121,0.3077753409636077,0.3190836817216092,0.5471095195668563
EOS-2-09686,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cn1,SNGBEVGTVHOGDD-UHFFFAOYSA-N,2,1,0.5,87,132,444.886,3.622,5,0.391,0.76,1.0,0.7022308272222603,0.8303234870810774,0.31901514632307587,0.3253118360633267,0.544220324172435
EOS-2-09687,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n1,XWKLUGHQRISTHC-UHFFFAOYSA-N,2,1,0.495,65,858,444.886,3.622,5,0.391,0.59,1.0,0.7388115961894318,0.7389829346857651,0.4261531080803235,0.43066787745870744,0.583653879103557
EOS-2-09688,Cc1cnc(C)c(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)n1,LDVSWQULWANSHK-UHFFFAOYSA-N,2,1,0.467,55,283,444.886,3.888,5,0.402,0.66,1.0,0.7054776917277774,0.6671664039476389,0.3190237132478925,0.30693578233157426,0.49965089781372074
EOS-2-09689,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,OIYOEYCSXDZLGY-UHFFFAOYSA-N,2,1,0.418,18,367,444.886,3.622,5,0.366,0.75,1.0,0.5732900418065932,0.5953841409087793,0.33721129463367827,0.3284901651703105,0.4585939106298403
EOS-2-09690,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nn1,PUWNLHMEMAIVOE-UHFFFAOYSA-N,2,1,0.418,58,954,444.886,3.622,5,0.366,0.69,0.991,0.5003769446919334,0.5520012336371736,0.28258858200260434,0.3004763210198067,0.40886077033787954
EOS-2-09691,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)c(C)n1,AJCNGRDXHYUPGT-UHFFFAOYSA-N,2,1,0.506,7,567,444.886,3.888,5,0.402,0.67,1.0,0.5438026865876225,0.6528425056541703,0.36361455691864847,0.33192550202179427,0.47304631279555887
EOS-2-09692,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)n1,GHBKPGVXWIMNPJ-UHFFFAOYSA-N,2,1,0.521,65,981,444.886,3.622,5,0.366,0.62,1.0,0.8052395312178741,0.8716674662463162,0.3898379137824686,0.37716743197861696,0.610978085806319
EOS-2-09693,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)c2)nc1,USMCPZUJJFJKQY-UHFFFAOYSA-N,2,1,0.523,65,131,444.886,3.622,5,0.391,0.67,1.0,0.7685388253032691,0.7738588856144198,0.3934959906791858,0.3989274210129532,0.583705280652457
EOS-2-09694,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,OFRYJHSVEAHCNC-UHFFFAOYSA-N,2,1,0.549,65,981,444.886,3.622,5,0.366,0.7,1.0,0.7912240422178055,0.885006168185868,0.39730827222260295,0.3738862997738332,0.6118561956000274
EOS-2-09695,Cc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)n1,CMQYTUWOJFLNCY-UHFFFAOYSA-N,2,1,0.489,87,307,444.886,3.622,5,0.391,0.65,1.0,0.7022393941470769,0.7112175313549448,0.31539990405044205,0.3319340689466109,0.5151977246247686
EOS-2-09696,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cn1,YHHQGHNWFFSOST-UHFFFAOYSA-N,2,1,0.453,18,367,444.886,3.622,5,0.391,0.71,0.999,0.6161589335891988,0.6144369817010485,0.36723836611609895,0.35741210335138096,0.4888115961894318
EOS-2-09697,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,XJRONKDFFKBHSC-UHFFFAOYSA-N,2,1,0.49,65,858,444.886,3.622,5,0.366,0.59,1.0,0.6813446645192242,0.7389915016105819,0.44091391953944215,0.41163217051607154,0.5682205640463299
EOS-2-09698,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cc2)nn1,ADUMWYNIRWPZAY-UHFFFAOYSA-N,2,1,0.477,72,889,444.886,3.622,5,0.366,0.68,1.0,0.7685473922280858,0.8822904530189843,0.2565536974847509,0.27947878829415396,0.5467175827564937
EOS-2-09699,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,JLXIVKYKUODVHA-UHFFFAOYSA-N,2,1,0.438,18,367,444.886,3.622,5,0.391,0.66,0.996,0.5990422178054965,0.6096395038037146,0.3711448838324995,0.37389486669864985,0.4884303680350901
EOS-2-09700,Cn1nc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)c2)nc1C1CC1,VDISVJKXFXXJLK-UHFFFAOYSA-N,2,1,0.53,13,995,444.886,4.305,6,0.398,0.62,1.0,0.4034250565417038,0.470058597765746,0.06988040572955932,0.23206085943389762,0.2938562298677267
EOS-2-09701,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)[nH]n2)c1F,MBFOLJKUDKFEAJ-UHFFFAOYSA-N,2,1,0.43,31,963,444.883,3.39,5,0.431,0.54,1.0,0.4013090261119868,0.3011788088547735,0.37115345075731615,0.41788602563223903,0.37288182783907886
EOS-2-09702,Oc1cc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)ccc1-c1ccccn1,RINJWDXJDRGEBE-UHFFFAOYSA-N,2,1,0.512,11,201,444.882,4.229,5,0.391,0.6,1.0,0.9137996024946885,0.8742546775409499,0.6394352683160852,0.6440357069426359,0.7678813138235898
EOS-2-09703,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)nc1,PKFPCMYCNPOSAF-UHFFFAOYSA-N,2,1,0.541,35,201,444.882,4.229,5,0.418,0.68,1.0,0.9108268795833048,0.8716760331711328,0.694940374203276,0.690322801727092,0.7919415221712014
EOS-2-09704,Clc1cncc(CCOc2cncc3nnc(-c4ccc(Oc5cccnc5)cc4)n23)c1,POVSENMXZBZGQZ-UHFFFAOYSA-N,2,1,0.562,35,429,444.882,4.649,5,0.361,0.84,1.0,0.9710009594955795,0.9399458570351586,0.7234682338427798,0.712810979370845,0.8368065074360908
EOS-2-09705,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)cc5)n4)n23)cc1,TVQYOLXGNAJVSD-UHFFFAOYSA-N,2,1,0.548,1,929,444.882,3.973,5,0.423,0.82,1.0,0.7628246864505517,0.8656706188746488,0.765009252278802,0.7702350764169693,0.790934908505243
EOS-2-09706,OCc1ccc(-c2nnc3cncc(OCc4cncnc4-c4ccc(Cl)cc4)n23)cc1,GJPJSAACJXGDEZ-UHFFFAOYSA-N,2,1,0.585,1,230,444.882,3.973,5,0.423,0.75,1.0,0.9460283736549928,0.8850147351106846,0.7937769858131725,0.7911298060448222,0.8539874751559181
EOS-2-09707,Clc1cncc(CCOc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)c1,HLEJKAYOWZXSJT-UHFFFAOYSA-N,2,1,0.549,11,881,444.882,4.649,5,0.361,0.78,1.0,0.9138081694195052,0.9170207662257556,0.6814646014666575,0.6554468507984373,0.7919350969775889
EOS-2-09708,Clc1ccccc1OCCOc1cncc2nnc(-c3ccc(-c4ccnnc4)cc3)n12,OVQOLLHJSZMDQJ-UHFFFAOYSA-N,2,1,0.58,91,660,444.882,4.36,5,0.344,0.76,1.0,0.8722757179082996,0.8904118977451854,0.7834881091083544,0.7772942224659036,0.8308674868069357
EOS-2-09709,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cc1,FQYIUHWUSCWTCE-UHFFFAOYSA-N,2,1,0.5,11,201,444.882,4.229,5,0.391,0.71,1.0,0.8360119251593447,0.8600764169693647,0.6894918100198753,0.6818244123089576,0.7668511411143855
EOS-2-09710,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)nn4)n23)cc1,GXVBPAFBTGHJPC-UHFFFAOYSA-N,2,1,0.523,1,347,444.882,3.973,5,0.423,0.81,1.0,0.810396819957508,0.8033119731341237,0.7440031526283325,0.757530326913851,0.7788105681584538
EOS-2-09711,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ccccn1,QLIFGQGTNXXEPV-UHFFFAOYSA-N,2,1,0.478,97,383,444.882,4.489,5,0.356,0.73,1.0,0.867778082379549,0.7568278390788843,0.7535724076485505,0.6758189980124735,0.7634993317798644
EOS-2-09712,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)c1,REOQWNQEPKMAQD-UHFFFAOYSA-N,2,1,0.535,1,22,444.882,4.489,5,0.381,0.76,1.0,0.7912326091426222,0.8073127270235076,0.7363357549174149,0.6698478514152559,0.7511822356247001
EOS-2-09713,COc1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)n1,IRBNTHMZQCCEDG-UHFFFAOYSA-N,2,1,0.628,1,230,444.882,4.489,5,0.381,0.77,1.0,0.947647522445343,0.882299019943801,0.7363443218422315,0.6933811938866424,0.8149180145295044
EOS-2-09714,Cn1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)ccc1=O,JGGDYNAZNHAPQE-UHFFFAOYSA-N,2,1,0.658,43,909,444.882,3.784,5,0.41,0.83,0.997,0.8700311836063327,0.8656791857994655,0.6569460626413542,0.6788088547734905,0.7678663217051607
EOS-2-09715,COc1ncccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cn4)c3)n12,JQPFKTDGDDDWIB-UHFFFAOYSA-N,2,1,0.489,97,666,444.882,4.489,5,0.381,0.76,1.0,0.8130354328010417,0.6477280515386197,0.6483191693509698,0.5844955794667946,0.6733945582893565
EOS-2-09716,COc1ccccc1COc1cncc2nnc(-c3ccc(-c4cccc(Cl)n4)nc3)n12,BSYKQDZRUGLRJB-UHFFFAOYSA-N,2,1,0.489,1,56,444.882,4.489,5,0.356,0.8,1.0,0.7940939620313893,0.7017853471317935,0.6814731683914742,0.6120039750531149,0.697339113151943
EOS-2-09717,COc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,QKBIMFISUNGECL-UHFFFAOYSA-N,2,1,0.633,43,433,444.882,4.489,5,0.381,0.81,1.0,0.9517168117332603,0.9586474539099444,0.7260211774381468,0.6933897608114591,0.8324438009732026
EOS-2-09718,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)nc1,JUKKAEODAJYAKE-UHFFFAOYSA-N,2,1,0.547,11,201,444.882,4.229,5,0.391,0.7,1.0,0.9092848331163046,0.8877047495031184,0.7102666027002947,0.6903313686519087,0.7993968884929066
EOS-2-09719,COc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1ccc(Cl)nc1,RYNPEMASXATVHM-UHFFFAOYSA-N,2,1,0.639,1,83,444.882,4.489,5,0.356,0.73,1.0,0.6873158111164417,0.7112260982797615,0.7488862997738331,0.672734905078473,0.7050407785621273
EOS-2-09720,OCc1cc(-c2cncc(-c3nnc4cncc(OCc5ccncc5)n34)c2)ccc1Cl,WKGIEPGHCKSHRV-UHFFFAOYSA-N,2,1,0.489,97,884,444.882,3.973,5,0.423,0.71,1.0,0.6903056678774587,0.6867760948529916,0.8698598451099994,0.8504643273250634,0.7743514837913783
EOS-2-09721,COc1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,UDUGKYBTYOIUKT-UHFFFAOYSA-N,2,1,0.685,1,326,444.882,4.489,5,0.381,0.83,1.0,0.9660407100267288,0.944169350969776,0.7464190254266329,0.6903399355767253,0.8367422554999657
EOS-2-09722,OCc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)cc5)n4)n23)cc1,KLCCSKDJJVWBKP-UHFFFAOYSA-N,2,1,0.573,1,230,444.882,3.973,5,0.423,0.82,1.0,0.8997327119457199,0.9023027893907203,0.7286597902816805,0.7232112260982798,0.8134766294291
EOS-2-09723,Cc1ncc(-c2cncc3nnc(-c4ccc(CO)cc4)n23)c(Oc2ccc(Cl)cc2)n1,TVDXHPDNJCMIKM-UHFFFAOYSA-N,2,1,0.419,96,586,444.882,4.495,5,0.426,0.78,1.0,0.5410955383455555,0.6378846549242684,0.7339370159687478,0.7128195462956617,0.6564341888835583
EOS-2-09724,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(Cl)c5)c4)n23)cc1,QCKDDMSIBHUWNR-UHFFFAOYSA-N,2,1,0.552,97,91,444.882,3.973,5,0.395,0.73,1.0,0.9138167363443218,0.7479696388184497,0.8567010485915976,0.8253118360633267,0.8359498149544239
EOS-2-09725,Clc1cccc(CCOc2cncc3nnc(-c4cccc(Oc5cccnc5)c4)n23)n1,NNZHIYXSVVHDMI-UHFFFAOYSA-N,2,1,0.562,11,848,444.882,4.649,5,0.338,0.78,1.0,0.8430710712082791,0.8187410047289425,0.6270646288808169,0.6292063600849839,0.7295207662257557
EOS-2-09726,COc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1,UVZDCHRGHANFRD-UHFFFAOYSA-N,2,1,0.511,1,700,444.882,4.489,5,0.381,0.76,1.0,0.7741330272085533,0.7479782057432663,0.7028133781097937,0.64996401891577,0.7187221574943459
EOS-2-09727,CCOc1nc(-c2nnc3cncc(Oc4ccccc4Cl)n23)ccc1-c1ccncc1,IVYAMRQBIIMNOQ-UHFFFAOYSA-N,2,1,0.389,13,616,444.882,5.093,5,0.36,0.75,0.978,0.5732986087314098,0.637893221849085,0.6155592488520321,0.5994791309711466,0.6065575526009184
EOS-2-09728,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1ccncn1,WDLQTSGGOZVEBX-UHFFFAOYSA-N,2,1,0.684,91,660,444.882,4.229,5,0.418,0.57,1.0,0.9476560893701597,0.9261702419299568,0.7535809745733671,0.7421098622438489,0.8423792920293331
EOS-2-09729,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)nc4)n23)c1,SBTBMQIMBYIQRO-UHFFFAOYSA-N,2,1,0.527,11,881,444.882,4.649,5,0.361,0.8,0.999,0.7388201631142485,0.815014392433692,0.5939277636899458,0.6056130491398808,0.6883438420944417
EOS-2-09730,Clc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)cc1,RRXKKCJUUXLYJR-UHFFFAOYSA-N,2,1,0.598,11,275,444.882,4.649,5,0.361,0.82,1.0,0.7144986635597286,0.8439962990884792,0.6185148379137825,0.6208193406894661,0.6994572853128641
EOS-2-09731,COc1cccnc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)ccn3)n12,GJGOIWHWHNCEBK-UHFFFAOYSA-N,2,1,0.467,97,560,444.882,4.489,5,0.381,0.82,1.0,0.5963436364882462,0.6282382975807004,0.6483277362757864,0.6263621410458502,0.6248179528476459
EOS-2-09732,O=c1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)c[nH]1,URECHWIRKNJJLY-UHFFFAOYSA-N,2,1,0.667,91,660,444.882,3.817,5,0.427,0.74,1.0,0.7884654924268385,0.6917106435473922,0.6839490096634911,0.7232197930230965,0.7218362346652045
EOS-2-09733,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccncc1,NRKCBZVJCGVUDD-UHFFFAOYSA-N,2,1,0.512,97,103,444.882,4.489,5,0.381,0.73,1.0,0.8477057775340964,0.7343225275854979,0.8063189637447742,0.7472757179082996,0.783905746693167
EOS-2-09734,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cccnc1,VRGPQFZYBIGELT-UHFFFAOYSA-N,2,1,0.495,97,103,444.882,4.489,5,0.381,0.7,1.0,0.8931190459872524,0.7696011239805359,0.7960386539647728,0.7394712494003153,0.7995575183332191
EOS-2-09735,Clc1ccc(CCOc2cncc3nnc(-c4ccccc4Oc4ccccc4)n23)nn1,WQQSSDFLGYRMQO-UHFFFAOYSA-N,2,1,0.529,79,881,444.882,4.649,5,0.361,0.73,1.0,0.5788242752381605,0.5807261325474607,0.489993831814132,0.5459272839421562,0.5488678808854773
EOS-2-09736,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)c4)n23)cc1,NBLBKSVBTPZMLD-UHFFFAOYSA-N,2,1,0.571,97,91,444.882,3.973,5,0.395,0.76,1.0,0.9077599204989377,0.7343310945103145,0.8552875059968473,0.8233500102803097,0.8301821328216024
EOS-2-09737,FC(F)c1ccc(-c2nnc3cncc(OCc4nc5cc(Cl)ccc5s4)n23)cn1,XTHDXEHLHLQICE-UHFFFAOYSA-N,2,1,0.494,27,69,444.854,4.966,5,0.381,0.74,1.0,0.6993437735590432,0.8630748406551985,0.787523130697005,0.8066787745870743,0.7891551298745803
EOS-2-09738,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1cnc(C#N)nc1,QIJKSMANYCHNGR-UHFFFAOYSA-N,2,1,0.404,51,462,444.846,2.481,5,0.4,0.65,0.999,0.4236515660338565,0.3646254540470153,0.30438283873620725,0.3162223288328422,0.3522205469124803
EOS-2-09739,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1cnc(C#N)nc1,RBDXPKPHXZWNNF-UHFFFAOYSA-N,2,1,0.457,92,462,444.846,2.481,5,0.4,0.66,0.999,0.33536083887327806,0.36463402097183195,0.2637413474059352,0.2763775615105202,0.31002844219039133
EOS-2-09740,Cn1nc(-c2nccnn2)cc1COc1cncc2nnc(-c3ccc(Cl)c(C#N)c3)n12,NXUNEKRAQCIKHG-UHFFFAOYSA-N,2,1,0.467,36,404,444.846,2.481,5,0.4,0.53,0.999,0.4307278459324241,0.6769583990130903,0.3154084709752587,0.3640943047083819,0.44679725515728874
EOS-2-09741,Clc1cccc(COc2cncc3nnc(-c4cc(-c5nnc6ccccn56)[nH]n4)n23)n1,NWYRERPMBUUUSS-UHFFFAOYSA-N,2,1,0.404,4,670,444.846,2.852,6,0.402,0.66,1.0,0.3608131725035981,0.33075183332191077,0.16390240559248853,0.26467514221095195,0.28003563840723733
EOS-2-09742,Cn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nc2)n1,DTVVZWOKEULENY-UHFFFAOYSA-N,2,1,0.483,51,946,444.846,2.481,5,0.4,0.67,1.0,0.5934737166746624,0.756836406003701,0.38247035844013433,0.38988931533136867,0.5306674491124665
EOS-2-09743,C#Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)n[nH]1,SNVHPUPXGHYMJI-UHFFFAOYSA-N,2,1,0.431,20,279,444.846,2.018,5,0.39,0.6,1.0,0.5385854293742718,0.7017939140566103,0.09730313206771297,0.12374066205194983,0.3653557843876362
EOS-2-09744,Cn1nc(C#N)cc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cn1,NIHXXFNDCQJFHZ-UHFFFAOYSA-N,2,1,0.422,51,924,444.846,2.481,5,0.4,0.61,1.0,0.567850044548009,0.5807346994722774,0.22093242409704614,0.235016448495648,0.4011334041532451
EOS-2-09745,Cn1c(-c2ccc(-c3nnc4cncc(OCc5cnc(C#N)nc5)n34)cn2)cnc1Cl,IDAFTRRWDTUZEJ-UHFFFAOYSA-N,2,1,0.429,55,823,444.846,2.481,5,0.4,0.65,1.0,0.6721951888150229,0.6671749708724556,0.28616098965115483,0.26172812007401824,0.4718148173531629
EOS-2-09746,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C#N)nc4)n23)c(Cl)c1,MTYSYZVNEZORLN-UHFFFAOYSA-N,2,1,0.489,36,728,444.846,2.481,5,0.4,0.78,1.0,0.6048677266808307,0.7112346652045781,0.38984648070728534,0.43985162086217533,0.5364501233637174
EOS-2-09747,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5C#N)n34)cc2)n1,REGMVCQOHQJDQC-UHFFFAOYSA-N,2,1,0.5,16,19,444.842,3.649,5,0.398,0.72,1.0,0.8182441230895757,0.7343396614351313,0.5517356589678569,0.5160801178808855,0.6550998903433624
EOS-2-09748,Cc1nsc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)no2)n1,XWFDVMPHZBDUJN-UHFFFAOYSA-N,2,1,0.556,51,446,444.839,3.373,5,0.402,0.69,1.0,0.6018864368446303,0.701802480981427,0.0677301076005757,0.1590363922966212,0.38261385443081347
EOS-2-09749,O=[N+]([O-])c1cc(Cl)ccc1-c1nnc2cncc(Oc3ccc(-c4ccccc4)nc3)n12,PPLPTLARIITPJM-UHFFFAOYSA-N,2,1,0.424,57,480,444.838,5.207,5,0.27,0.77,1.0,0.7419727914467823,0.547349393461723,0.6244345829621,0.5429716948804058,0.6141821156877527
EOS-2-09750,N#Cc1cc(-c2nnc3cncc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)ccc1Cl,CVIDWPWJSBKKCX-UHFFFAOYSA-N,2,1,0.355,45,46,444.832,5.324,5,0.376,0.79,1.0,0.42366013295867316,0.7479867726680831,0.9876207936399151,0.9933434994174491,0.78815279967103
EOS-2-09751,Fc1ccc(C#Cc2c(F)cncc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,JGXVRVUMTURTHX-UHFFFAOYSA-N,2,1,0.395,45,46,444.832,4.58,5,0.373,0.72,1.0,0.4492495373860599,0.8150229593585087,0.9616972791446782,0.968173874306079,0.7985359125488314
EOS-2-09752,N#Cc1cncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)c2)n1,LALFSFKHHZHGMK-UHFFFAOYSA-N,2,1,0.4,13,110,444.817,4.1,5,0.407,0.65,1.0,0.6690939620313893,0.7018110479062436,0.804391405661024,0.827213693372627,0.750627527242821
EOS-2-09753,N#Cc1cncc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)c2)n1,ILIYAKMDVMILPF-UHFFFAOYSA-N,2,1,0.44,13,995,444.817,4.1,5,0.407,0.65,1.0,0.7209666917963128,0.7991484476732232,0.8393444589130286,0.8554931121924474,0.803738177643753
EOS-2-09754,Fc1cc(-c2nnc3cncc(OCCc4nn(F)cc4Cl)n23)ccc1-c1nn[nH]n1,LMGCNFHMMRXSBO-UHFFFAOYSA-N,2,1,0.506,37,6,444.793,2.314,5,0.423,0.65,1.0,0.6564406140771709,0.7910184360222055,0.33390446165444454,0.45277911041052704,0.558535655541087
EOS-2-09755,Fc1cc(-c2nnc3cncc(-c4ccn(-c5ccc(F)c(F)n5)c4)n23)c(F)cc1Cl,YMLDNCUULYZKSD-UHFFFAOYSA-N,2,1,0.309,45,575,444.779,4.854,5,0.227,0.58,0.996,0.12464875608251662,0.38857857583441846,0.9838170790213145,0.9894455486258653,0.6216224898910288
EOS-2-09756,COc1cc(-c2nnc3cncc(-c4ccc(Cl)cc4OC(F)(F)F)n23)ccc1Cl,OAYBCSBJXWUDSE-UHFFFAOYSA-N,2,1,0.378,23,444,455.223,5.672,4,0.397,0.8,1.0,0.7969381810705229,0.9130457131108217,0.9978240010965663,0.9978411349461997,0.9264122575560277
EOS-2-09757,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(Cl)c4)n23)cc1,QLEJVYIUAPLWCD-UHFFFAOYSA-N,2,1,0.704,48,444,455.223,5.576,4,0.394,0.79,1.0,0.9930693578233157,0.9897368240696319,0.9978325680213831,0.9983551504351997,0.9947484750873825
EOS-2-09758,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(Br)cc5)n34)n2)c(F)c1,UXXZPAAYPJOJIR-UHFFFAOYSA-N,2,1,0.423,22,990,455.226,3.475,5,0.414,0.76,1.0,0.16319135083270508,0.48296038653964773,0.5382513193064218,0.7207439517510794,0.4762867521074635
EOS-2-09759,FC(F)(F)c1cccnc1-c1nnc2cncc(-c3nnc(-c4ccc(Cl)nc4)o3)n12,YZONLZPVXTZNFK-UHFFFAOYSA-N,2,1,0.284,50,243,444.764,3.971,5,0.385,0.69,0.274,0.2998937701322733,0.4655266945377287,0.8507470358440135,0.8293639915016106,0.6113828730039065
EOS-2-09760,Fc1cc(-c2nnc3cncc(Oc4c(F)cc(-c5nnco5)cc4F)n23)ccc1Cl,NXEIIIHZABMVLJ-UHFFFAOYSA-N,2,1,0.506,13,102,444.76,4.704,5,0.396,0.7,1.0,0.9271468713590569,0.9646357343567953,0.9513912685902268,0.954997943938044,0.9495429545610308
EOS-2-09761,Fc1ncc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ncn2)cc1Cl,YUXDJDZERFCUMA-UHFFFAOYSA-N,2,1,0.304,46,971,455.24,4.277,5,0.37,0.59,0.739,0.6753221163731067,0.652851072578987,0.7052720855321774,0.7677421012953191,0.7002968439448974
EOS-2-09762,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4cnc(Cl)nc4)ncn3)n12,AWGFJLBZVQARGW-UHFFFAOYSA-N,2,1,0.38,13,971,455.24,4.277,5,0.37,0.65,0.915,0.6903142348022754,0.7390000685353986,0.7674508258515523,0.8194434925639092,0.7540521554382839
EOS-2-09763,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)c(Cl)cc1Cl,PYGOCMJRVCTPKE-UHFFFAOYSA-N,2,1,0.338,45,575,455.255,5.5,5,0.266,0.78,0.9,0.40343362346652045,0.6917192104722089,0.9688849290658625,0.9819837571105476,0.7615053800287849
EOS-2-09764,Fc1cncc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c2)c1F,ONTYVGGZPBYHIJ-UHFFFAOYSA-N,2,1,0.382,45,575,455.255,5.5,5,0.36,0.71,1.0,0.35151805907751354,0.6867846617778083,0.9779744362963471,0.990662051949832,0.7517348022753753
EOS-2-09765,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccc(F)c(Cl)n5)cn4)n23)ccc1Cl,PXHAZLYRVNWCHV-UHFFFAOYSA-N,2,1,0.373,45,102,455.255,5.5,5,0.336,0.81,1.0,0.4467736961140429,0.8033205400589405,0.9659122061544788,0.9813926392981975,0.799349770406415
EOS-2-09766,Fc1c(Cl)ccc(-c2ncncc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,SRJVHKWZEFSKAQ-UHFFFAOYSA-N,2,1,0.419,45,102,455.255,5.5,5,0.336,0.75,1.0,0.4516911109588102,0.7824600781303543,0.9720803920224796,0.9867898019326983,0.7982553457610856
EOS-2-09767,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)ccc1-c1nnco1,MJABNRAVRSVOCQ-UHFFFAOYSA-N,2,1,0.625,13,209,455.261,4.949,5,0.367,0.78,1.0,0.8635545884449318,0.7294822150640806,0.8272993626207936,0.8154941402234254,0.8089575765883078
EOS-2-09768,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)nc4Cl)n23)c1,QZRHYAGFRXAISQ-UHFFFAOYSA-N,2,1,0.506,58,271,455.265,3.56,5,0.354,0.58,1.0,0.7388287300390651,0.676966965937907,0.35228908231101363,0.4652268521691454,0.5583279076142829
EOS-2-09769,Cc1coc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(Cl)n2)n1,HTCTVIJEYPENBA-UHFFFAOYSA-N,2,1,0.432,51,196,455.265,3.826,5,0.365,0.62,1.0,0.5904324583647453,0.57540607223631,0.21390754574737852,0.27638612843533683,0.4140330511959427
EOS-2-09770,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)no1,DTRHJFYOASCYQQ-UHFFFAOYSA-N,2,1,0.542,73,863,455.265,3.826,5,0.39,0.75,1.0,0.6660784044959221,0.8033291069837571,0.26755362894935236,0.3957319580563361,0.533173274621342
EOS-2-09771,Clc1ccc(-c2nnc(Cc3nnc4cncc(OCc5cncc(Cl)n5)n34)o2)cc1,IZZIVZJLZCJNBW-UHFFFAOYSA-N,2,1,0.323,4,32,455.265,3.441,5,0.38,0.68,1.0,0.4754900280995134,0.4258189980124734,0.21391611267219518,0.36410287163319854,0.3698320026043451
EOS-2-09772,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4Cl)n23)n1,WBBMAKREJLKYBC-UHFFFAOYSA-N,2,1,0.511,20,832,455.265,3.56,5,0.379,0.63,1.0,0.6598245493797547,0.7018196148310603,0.3711620176821328,0.47752038928106366,0.5525816427935029
EOS-2-09773,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nc2)no1,ZRJDCEFTPTUZQQ-UHFFFAOYSA-N,2,1,0.524,51,756,455.265,3.826,5,0.39,0.79,1.0,0.7269378383935302,0.8187495716537592,0.3299808100884107,0.4276180522239737,0.5758215680899185
EOS-2-09774,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2Cl)o1,STLMDTLQVATJMS-UHFFFAOYSA-N,2,1,0.512,72,208,455.265,3.826,5,0.39,0.64,1.0,0.6629943115619217,0.7653262284970187,0.3522976492358303,0.43394044273867455,0.5536396580083613
EOS-2-09775,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)cc1Cl,VODSJDMIPXAWQJ-UHFFFAOYSA-N,2,1,0.505,87,304,455.265,3.56,5,0.379,0.71,1.0,0.607643410321431,0.642433692001919,0.4111524227263382,0.4926067438832157,0.5384590672332259
EOS-2-09776,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c(Cl)n2)o1,BSPUNYFOGKBTJH-UHFFFAOYSA-N,2,1,0.506,4,617,455.265,3.826,5,0.365,0.64,0.997,0.5128075526009184,0.6235350558563498,0.2709461311767528,0.36089027482694813,0.4420447536152423
EOS-2-09777,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCc5c(Cl)cccc5Cl)n34)c2)o1,PSJFSQKGPZXCEF-UHFFFAOYSA-N,2,1,0.461,59,332,455.265,3.535,5,0.415,0.64,1.0,0.5411041052703721,0.4829689534644644,0.6096223699540813,0.6612209581248715,0.5737290967034473
EOS-2-09778,Clc1cncc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4nnco4)nc3)n12,TXWASNVZOZRGOT-UHFFFAOYSA-N,2,1,0.534,65,559,455.265,3.56,5,0.379,0.64,1.0,0.7741415941333699,0.7294907819888973,0.41485333424713866,0.5160886848057021,0.608643598793777
EOS-2-09779,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)cn2)no1,IVRFAAUBCZHEFL-UHFFFAOYSA-N,2,1,0.465,55,980,455.265,3.826,5,0.39,0.7,1.0,0.5963522034130628,0.6379017887739017,0.3636231238434651,0.4494894112809266,0.511841631827839
EOS-2-09780,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nn2)no1,LIEOGCVMOCXSDX-UHFFFAOYSA-N,2,1,0.523,4,391,455.265,3.826,5,0.39,0.69,1.0,0.6415855664450689,0.7910270029470221,0.3154170379000754,0.4339490096634912,0.5454946542389144
EOS-2-09781,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c(Cl)nn1,LDYPACRAMLRYEG-UHFFFAOYSA-N,2,1,0.549,72,889,455.265,3.56,5,0.379,0.61,1.0,0.9321413885271743,0.9091049276951545,0.382478925364951,0.4745219655952299,0.6745618017956274
EOS-2-09782,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(Cl)n4)n23)c1,FBSFUFOAEDDVLS-UHFFFAOYSA-N,2,1,0.446,18,773,455.265,3.56,5,0.354,0.49,1.0,0.6691025289562059,0.5754146391611267,0.32998937701322734,0.4494979782057433,0.5060011308340758
EOS-2-09783,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c(Cl)n2)no1,WQEUGBIMXYMNON-UHFFFAOYSA-N,2,1,0.5,7,338,455.265,3.826,5,0.365,0.62,1.0,0.46786546501267906,0.60011308340758,0.2532896991296004,0.3479627852785964,0.417307758207114
EOS-2-09784,Cn1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1-c1cncc(Cl)n1,VIOLBLVAAFOGDX-UHFFFAOYSA-N,2,1,0.347,51,694,455.269,2.658,5,0.368,0.48,0.989,0.34941916249742994,0.3216109245425262,0.10759200877253101,0.18594510314577478,0.2411417997395655
EOS-2-09785,Clc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)[nH]n2)cn1,TVOBMUSSNUBLOS-UHFFFAOYSA-N,2,1,0.388,20,279,455.269,2.69,5,0.41,0.56,0.433,0.4927609485299157,0.4214155986567062,0.1639109725173052,0.2678020697690357,0.3364723973682407
EOS-2-09786,Cn1nnc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2Cl)n1,CVKQDLNLLRUTPR-UHFFFAOYSA-N,2,1,0.549,36,404,455.269,2.658,5,0.394,0.72,1.0,0.5733071756562265,0.7607857583441848,0.09484442464532931,0.2437718456582825,0.41817730107600576
EOS-2-09787,Cn1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1-c1cnc(Cl)nc1,LTCWUEJENDTCLZ-UHFFFAOYSA-N,2,1,0.361,51,462,455.269,2.658,5,0.291,0.71,0.991,0.3252604345144267,0.35516756904941404,0.15130045918717017,0.21187718456582824,0.2609014118292098
EOS-2-09788,Cn1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)n1,SAWVNVICHSMFOD-UHFFFAOYSA-N,2,1,0.511,36,404,455.269,2.658,5,0.394,0.58,1.0,0.4421475567130423,0.633095743951751,0.15742581043108766,0.29424816667808923,0.3817293194434926
EOS-2-09789,Cn1cnnc1-c1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nn1,DATJQBVEICMOMC-UHFFFAOYSA-N,2,1,0.529,36,404,455.269,2.658,5,0.394,0.63,1.0,0.4678740319374957,0.6966794599410595,0.10760057569734768,0.2585754917414845,0.3826823898293468
EOS-2-09790,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1cnc(Cl)nc1,FQHAQLYKLYWJTB-UHFFFAOYSA-N,2,1,0.374,51,462,455.269,2.658,5,0.368,0.61,0.986,0.34717462819546296,0.3502587211294634,0.15130902611198685,0.21188575149064492,0.26515703173188954
EOS-2-09791,Cn1nc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)cc1-c1ccccc1F,MSBBNMUNLJQHOQ-UHFFFAOYSA-N,2,1,0.455,34,616,455.28,5.43,5,0.362,0.76,0.998,0.4327753409636077,0.5754232060859434,0.8840980741553012,0.9346857651977246,0.7067455966006443
EOS-2-09792,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)cc1,LIUIWLXSIVRVKL-UHFFFAOYSA-N,2,1,0.543,34,146,455.28,5.002,5,0.373,0.77,1.0,0.4629737509423617,0.7607943252690015,0.9192824343773559,0.9499006236721267,0.7732377835652114
EOS-2-09793,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1ccc(Cl)cc1,YQOAEZAYANGBKK-UHFFFAOYSA-N,2,1,0.459,34,145,455.28,5.43,5,0.362,0.72,1.0,0.44215612363785894,0.5907922692070454,0.8947124940031527,0.9372472757179083,0.7162270406414913
EOS-2-09794,Cn1nc(-c2nnc3cncc(Oc4cc(F)ccc4Cl)n23)cc1-c1cccc(Cl)c1,IOUKNEIINDHZMI-UHFFFAOYSA-N,2,1,0.466,34,266,455.28,5.43,5,0.362,0.76,0.999,0.4167466246316222,0.5424662463162223,0.8877218833527517,0.937255842642725,0.6960476492358303
EOS-2-09795,Cn1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccc2Cl)n1,UTYLLNSGSCAAOY-UHFFFAOYSA-N,2,1,0.5,13,145,455.28,5.43,5,0.362,0.7,1.0,0.5706685628126927,0.8371084915358783,0.935396819957508,0.9511685285449935,0.8235856007127682
EOS-2-09796,Cn1nc(-c2ccc(Cl)cc2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3F)n12,RCYYTGXSGKYPCP-UHFFFAOYSA-N,2,1,0.506,34,417,455.28,5.43,5,0.362,0.74,1.0,0.6328044685079843,0.8538482626276471,0.8993043657048866,0.9337091357686245,0.8299165581522856
EOS-2-09797,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccnn3-c3cccc(Cl)c3)n12,HRYPGMOOJQHVPI-UHFFFAOYSA-N,2,1,0.477,34,671,455.28,5.002,5,0.373,0.68,1.0,0.4348913713933247,0.5908008361318621,0.8671698307175656,0.9230261805222397,0.703972054691248
EOS-2-09798,Fc1ccc(-n2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,RYUXOFNFYKAJLK-UHFFFAOYSA-N,2,1,0.588,34,612,455.28,5.002,5,0.373,0.79,1.0,0.6299345486944007,0.8742632444657665,0.9135854293742718,0.9454629566170927,0.8408115447878829
EOS-2-09799,Cn1nc(-c2cccc(Cl)c2F)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,MACGOPLLYODMAT-UHFFFAOYSA-N,2,1,0.5,34,417,455.28,5.43,5,0.362,0.87,1.0,0.7912411760674388,0.8955606195600028,0.9089592899732712,0.9372644095675416,0.8832563737920636
EOS-2-09800,Cn1nc(-c2ccc(Cl)c(F)c2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,DELOGFGCSVTPOG-UHFFFAOYSA-N,2,1,0.519,34,417,455.28,5.43,5,0.362,0.81,1.0,0.7857412103351381,0.9151703104653554,0.917500514015489,0.9423274621341923,0.8901848742375437
EOS-2-09801,Cn1nc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)cc1-c1ccc(Cl)cc1,ZHOKASWEVQUCOV-UHFFFAOYSA-N,2,1,0.459,34,145,455.28,5.43,5,0.362,0.75,1.0,0.4375042834624083,0.5807432663970941,0.8947210609279693,0.9389349599067919,0.712975892673566
EOS-2-09802,Cn1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)cc1-c1ccc(Cl)cc1,OIZWPKVBTMEOQP-UHFFFAOYSA-N,2,1,0.556,34,573,455.28,5.43,5,0.362,0.71,1.0,0.50038551161675,0.6235436227811665,0.9060379686107874,0.9446919333835926,0.7436647590980741
EOS-2-09803,Cc1nc(Cl)ccc1-c1nc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)n(C)n1,ZPEMKNMVNCTCRQ-UHFFFAOYSA-N,2,1,0.362,22,252,455.284,4.403,5,0.375,0.61,1.0,0.13041429648413405,0.45683983277362755,0.437178740319375,0.6354259475018847,0.4149647042697553
EOS-2-09804,Cc1cc(-c2nnc3cncc(-c4nc(-c5cc(F)cc(Cl)n5)nn4C)n23)ccc1Cl,NWGNAHREOYXYJH-UHFFFAOYSA-N,2,1,0.35,22,844,455.284,4.403,5,0.375,0.69,0.997,0.17123569323555615,0.4170721677746556,0.4900023987389487,0.6847714344458913,0.44077042354876295
EOS-2-09805,FC1(c2ccc(-c3nnc4cncc(OCc5cccc(Br)c5)n34)cc2)COC1,UBEMLMWZZMVZDL-UHFFFAOYSA-N,2,1,0.662,48,17,455.287,4.328,5,0.449,0.66,1.0,0.9717462819546295,0.8999982866150367,0.9596326502638612,0.9364077170858749,0.9419462339798506
EOS-2-09806,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1Cl,IQKSTYVSRMERBJ-UHFFFAOYSA-N,2,1,0.814,23,86,444.709,5.245,4,0.42,0.8,1.0,0.9923069015146323,0.9964018915769995,0.980039065177164,0.9902594064834487,0.9897518161880612
EOS-2-09807,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4Cl)n23)nn1C,KJLSMJVAWOVZTP-UHFFFAOYSA-N,2,1,0.416,95,956,455.309,4.333,5,0.401,0.65,0.987,0.18837810979370845,0.23427112603659792,0.4445634295113426,0.5192327462134192,0.34661135288876704
EOS-2-09808,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4Cl)n23)nn1C,ULNIFVOXEYMRPD-UHFFFAOYSA-N,2,1,0.433,95,998,455.309,3.811,5,0.401,0.72,1.0,0.28628092659858817,0.30118737577959015,0.42248646425878966,0.5293674182715372,0.3848305462271263
EOS-2-09809,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncs5)c4)n23)cc1Cl,IQGHMFHQXJGSCK-UHFFFAOYSA-N,2,1,0.603,59,89,455.33,5.196,5,0.363,0.77,1.0,0.8895809060379686,0.9206874100472894,0.8310002741415942,0.8654735796038654,0.8766855424576794
EOS-2-09810,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccs5)n4)n23)c(Cl)c1,ADBKYTLYIRDAMQ-UHFFFAOYSA-N,2,1,0.548,4,29,455.33,5.196,5,0.363,0.74,1.0,0.6931498869165924,0.9047443629634706,0.6244431498869166,0.7341083544650813,0.7391114385580152
EOS-2-09811,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)ccn2)s1,ZINMCXYTBYZYRY-UHFFFAOYSA-N,2,1,0.488,13,110,455.33,5.717,5,0.345,0.77,1.0,0.5759629223493935,0.6331043108765677,0.7387944623397985,0.7959187170173394,0.6859451031457748
EOS-2-09812,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)cn1,PTIAKXHKEFHLOE-UHFFFAOYSA-N,2,1,0.488,55,390,455.33,5.196,5,0.339,0.7,1.0,0.6722037557398396,0.830332054005894,0.7602203413062847,0.8132924405455417,0.7690121478993901
EOS-2-09813,Clc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,CGFRDYAYPDXYEM-UHFFFAOYSA-N,2,1,0.532,24,912,455.33,5.196,5,0.363,0.68,1.0,0.7145072304845452,0.7158608046055788,0.7312641354259475,0.8087434034678912,0.7425938934959907
EOS-2-09814,COc1ccc(Cl)cc1-c1nnc2cncc(-c3ccc(-c4ccc(Cl)nn4)s3)n12,VSTSYEJHJHBMNB-UHFFFAOYSA-N,2,1,0.39,22,140,455.33,5.292,5,0.366,0.76,0.777,0.37926632855870057,0.412343225275855,0.6867589610033582,0.752347337399767,0.5576789630594202
EOS-2-09815,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cc(Cl)cs5)n4)n23)cc1,KOHNYSLGOBMLMN-UHFFFAOYSA-N,2,1,0.549,4,539,455.33,5.196,5,0.363,0.75,1.0,0.8360204920841615,0.9386522513878418,0.6299859502433006,0.7497858268795833,0.7886111301487218
EOS-2-09816,Cc1ncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)c2)s1,RLLZAXHZOJLUNB-UHFFFAOYSA-N,2,1,0.407,13,110,455.33,5.717,5,0.345,0.75,1.0,0.520372147214036,0.5333082036872044,0.7388030292646152,0.7936056473168391,0.6465222568706737
EOS-2-09817,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)n5)cs4)n23)cc1,PFSKHSNVQZDKKE-UHFFFAOYSA-N,2,1,0.568,1,268,455.33,5.196,5,0.339,0.8,1.0,0.7538551161675006,0.9110153519292715,0.5939363306147625,0.7313326708244808,0.7475348673840039
EOS-2-09818,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)c(Cl)c4)n23)s1,FNDMHOSTZLWJCD-UHFFFAOYSA-N,2,1,0.549,4,554,455.33,5.196,5,0.363,0.66,1.0,0.6630028784867384,0.8265197724624769,0.8424885203207456,0.8845349873209513,0.804136539647728
EOS-2-09819,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)cn1,CSTQGOWUQKMNBL-UHFFFAOYSA-N,2,1,0.53,4,525,455.33,5.196,5,0.339,0.69,1.0,0.6188489479816325,0.7608028921938181,0.7696782263038859,0.8194520594887259,0.7421955314920157
EOS-2-09820,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)n5)s4)n23)cc1,ALVVOYYDUFQDEZ-UHFFFAOYSA-N,2,1,0.608,97,232,455.33,5.196,5,0.339,0.73,1.0,0.9077684874237544,0.9130542800356384,0.5971831951202796,0.7313412377492975,0.7873368000822425
EOS-2-09821,Clc1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(Cl)nc5)n4)n23)cc1,FKUUHSSNAOYFBC-UHFFFAOYSA-N,2,1,0.568,1,436,455.33,5.196,5,0.339,0.75,1.0,0.7596634911932013,0.9023113563155369,0.6704047015283394,0.7724967445685696,0.7762190734014118
EOS-2-09822,Cc1nnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)c2)s1,OIWDCRJLLHHVJV-UHFFFAOYSA-N,2,1,0.488,13,145,455.33,5.717,5,0.345,0.75,1.0,0.5309008978137207,0.6623517922006716,0.6814817353162909,0.77493831814132,0.6624181858680008
EOS-2-09823,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)c2)cn1,CBXVQMMXSAHVHG-UHFFFAOYSA-N,2,1,0.425,46,157,455.33,5.196,5,0.339,0.74,1.0,0.6076519772462476,0.6001216503323967,0.7984288259886231,0.8432338427797957,0.7123590740867658
EOS-2-09824,Clc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1Cl,QSLGDMQBNIWSOV-UHFFFAOYSA-N,2,1,0.482,75,183,455.33,5.196,5,0.339,0.76,1.0,0.7085018161880612,0.6769755328627236,0.8085292303474745,0.8487338085120965,0.7606850969775889
EOS-2-09825,Clc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,PSBNNQXDHXLFOV-UHFFFAOYSA-N,2,1,0.625,34,929,455.33,5.196,5,0.363,0.8,1.0,0.6931584538414091,0.8955691864848194,0.577984716606127,0.7653262284970187,0.7330096463573436
EOS-2-09826,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,IZRBGRGJLKDTDP-UHFFFAOYSA-N,2,1,0.494,2,419,455.33,5.196,5,0.339,0.72,1.0,0.5934822835994791,0.734348228359948,0.8043999725858406,0.8523233500102803,0.7461384586388871
EOS-2-09827,Clc1cccc(COc2cncc3nnc(-c4cnc(-c5ccsc5)c(Cl)c4)n23)n1,VNIQYWGAUKBGMD-UHFFFAOYSA-N,2,1,0.536,55,390,455.33,5.196,5,0.339,0.69,1.0,0.5619388664245083,0.6528596395038038,0.6839575765883079,0.7773027893907203,0.6690147179768351
EOS-2-09828,Clc1ccc(-c2nnc3cncc(OCc4csc(-c5ncccc5Cl)n4)n23)cc1,LNDBDYRMUPCFMS-UHFFFAOYSA-N,2,1,0.573,34,436,455.33,5.196,5,0.363,0.72,1.0,0.7145157974093619,0.9023199232403536,0.5517442258926736,0.7100181618806113,0.7196495271057501
EOS-2-09829,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)ccn2)cc1,KBACJYVEDFJBSD-UHFFFAOYSA-N,2,1,0.561,97,31,455.33,5.196,5,0.363,0.8,1.0,0.6273045027756836,0.7653347954218354,0.7028219450346104,0.7890651771640053,0.7211316050990336
EOS-2-09830,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cncc(Cl)c5)cs4)n23)cc1,GPXVQSMONPUWSB-UHFFFAOYSA-N,2,1,0.554,34,436,455.33,5.196,5,0.363,0.81,1.0,0.7358645740524982,0.9070659995887876,0.6786546501267905,0.7959272839421562,0.7793781269275581
EOS-2-09831,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5sccc5Cl)nn4)n23)cc1,CLGVILPLEXRJIJ-UHFFFAOYSA-N,2,1,0.57,34,32,455.33,5.196,5,0.363,0.74,1.0,0.8130439997258584,0.915178877390172,0.662523130697005,0.7911383729696388,0.7954710951956686
EOS-2-09832,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)nc1,JBIMMOVYRKXNIK-UHFFFAOYSA-N,2,1,0.542,24,912,455.33,5.196,5,0.363,0.71,1.0,0.6931670207662257,0.7479953395928998,0.7210609279692961,0.7911469398944555,0.7383425570557193
EOS-2-09833,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)nc(Cl)n2)cc1,UWNPUDCOXFWGGL-UHFFFAOYSA-N,2,1,0.554,44,267,455.33,5.196,5,0.339,0.76,1.0,0.6299431156192173,0.7294993489137139,0.642433692001919,0.7523559043245837,0.6885580152148585
EOS-2-09834,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)s5)n4)n23)cn1,WBLZPOUTRSSFON-UHFFFAOYSA-N,2,1,0.494,24,786,455.33,5.196,5,0.339,0.65,1.0,0.5788328421629771,0.794796449866356,0.6814903022411075,0.7548317455966006,0.7024878349667604
EOS-2-09835,Clc1cc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ccn2)ccn1,FCMDZFNOIQLUDQ-UHFFFAOYSA-N,2,1,0.494,75,183,455.33,5.196,5,0.339,0.72,1.0,0.690322801727092,0.6528682064286204,0.8147145500651086,0.8469433212254129,0.7512122198615585
EOS-2-09836,COc1cc(-c2nnsc2Cl)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,SMEJFGCTEUATDV-UHFFFAOYSA-N,2,1,0.412,96,46,455.33,5.292,5,0.366,0.74,1.0,0.340029812898362,0.5196782263038859,0.7260297443629635,0.8002707148242068,0.5965021245973545
EOS-2-09837,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)cc1,SLBHFVWRIKQQGO-UHFFFAOYSA-N,2,1,0.6,34,372,455.33,5.196,5,0.363,0.8,1.0,0.730116167500514,0.937204441093825,0.5939448975395792,0.7749468850661366,0.7590530978000137
EOS-2-09838,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)c(Cl)c1,COBQUAACUNGYER-UHFFFAOYSA-N,2,1,0.542,4,10,455.33,5.196,5,0.363,0.7,1.0,0.5904410252895621,0.837117058460695,0.7234768007675965,0.817438832156809,0.7421184291686657
EOS-2-09839,Clc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)ccn1,VQQKSMUAPCLZLW-UHFFFAOYSA-N,2,1,0.53,24,183,455.33,5.196,5,0.339,0.7,1.0,0.6133404153245151,0.6867932287026249,0.7741415941333699,0.8233585772051264,0.7244084538414091
EOS-2-09840,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccsc5)cn4)n23)c(Cl)c1,FQAVWAOCQMUJCB-UHFFFAOYSA-N,2,1,0.536,73,401,455.33,5.196,5,0.363,0.64,1.0,0.6273130697005003,0.8600849838941813,0.7388115961894318,0.8194606264135426,0.761417569049414
EOS-2-09841,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5cnc(Cl)s5)c4)n23)nc1,AMVCANYYHSXEMH-UHFFFAOYSA-N,2,1,0.585,97,744,455.33,5.196,5,0.363,0.73,1.0,0.5103231444040847,0.6144455486258653,0.7286683572064971,0.7842762661914879,0.6594283291069838
EOS-2-09842,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)o2)cn1,ICFLTOIHKZADJC-UHFFFAOYSA-N,2,1,0.368,45,730,444.669,4.864,5,0.367,0.8,0.999,0.3515266260023302,0.5908094030566787,0.7557398396271674,0.8913285587005688,0.6473511068466863
EOS-2-09843,Clc1ccc(Cl)c(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)n5)o4)n23)c1,QEEYOFFYHXVQMD-UHFFFAOYSA-N,2,1,0.368,45,730,444.669,4.864,5,0.367,0.74,0.54,0.24617915153176614,0.39812213008018643,0.6270731958056336,0.8432424097046124,0.5286542217805497
EOS-2-09844,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)o2)nc1,INQAYMPTEYOZLG-UHFFFAOYSA-N,2,1,0.372,45,730,444.669,4.864,5,0.392,0.76,1.0,0.3608217394284148,0.6096480707285313,0.702830511959427,0.8760194640531834,0.6373299465423892
EOS-2-09845,Fc1cnc(-c2ccc(Oc3cncc4nnc(-c5cnc(C(F)(F)F)nc5)n34)nc2)nc1,VYCLBGRMXSLEKF-UHFFFAOYSA-N,2,1,0.382,51,491,455.335,3.384,5,0.376,0.75,1.0,0.7941025289562059,0.7781252141731204,0.7464275923514495,0.5687752724282091,0.7218576519772462
EOS-2-09846,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)c(F)n4)n23)c(F)c1,XFENPWRYTHPTMC-UHFFFAOYSA-N,2,1,0.4,57,236,455.346,5.341,5,0.27,0.83,1.0,0.8360290590089782,0.897796586937153,0.9880748406551985,0.9910047289424988,0.9282263038859571
EOS-2-09847,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)ccn2)cc1F,FBLNAGRMMGYWEY-UHFFFAOYSA-N,2,1,0.506,13,236,455.346,5.341,5,0.27,0.72,1.0,0.932149955451991,0.9309934206017408,0.9919984922212323,0.9932064286203824,0.9620870742238367
EOS-2-09848,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)no2)nc1,SXGGXGWLQATQIV-UHFFFAOYSA-N,2,1,0.607,27,996,455.356,3.556,5,0.363,0.76,1.0,0.8104053868823248,0.8303406209307107,0.6761274073058735,0.6554554177232541,0.7430822082105408
EOS-2-09849,Fc1cc(-c2nnc3cncc(OCc4cc(-c5cccnn5)no4)n23)ccc1OC(F)F,JDJFYEYZBXHXBS-UHFFFAOYSA-N,2,1,0.544,72,389,455.356,3.556,5,0.363,0.7,1.0,0.8261856623946269,0.8371256253855116,0.812744157357275,0.7523644712494003,0.8071049790967035
EOS-2-09850,Fc1cc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)no2)ccn1,KHAJIRGLJQCJGU-UHFFFAOYSA-N,2,1,0.583,27,996,455.356,3.556,5,0.34,0.74,1.0,0.7828712905215544,0.7991570145980399,0.7363528887670482,0.6875813857857583,0.7514906449181001
EOS-2-09851,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)cc1OC(F)F,LKNONCYOJVOEQB-UHFFFAOYSA-N,2,1,0.545,24,786,455.356,3.556,5,0.363,0.59,0.997,0.8385477349050785,0.8656877527242821,0.8273079295456103,0.7313498046741141,0.8157233054622713
EOS-2-09852,Fc1cc(-c2nnc3cncc(OCc4ccc(OC(F)F)cn4)n23)ccc1-c1nnco1,NIUYZWGLPJNBBO-UHFFFAOYSA-N,2,1,0.586,4,712,455.356,3.556,5,0.363,0.68,1.0,0.8360376259337948,0.8931361798368858,0.8537882941539305,0.7842848331163046,0.8418117332602288
EOS-2-09853,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(OCc3ccnc(-c4cnco4)n3)n12,XSWPTIHWZWKPHN-UHFFFAOYSA-N,2,1,0.563,27,996,455.356,3.556,5,0.363,0.71,1.0,0.8912514563772188,0.9023284901651704,0.7812093071071208,0.7128281132204783,0.821904341717497
EOS-2-09854,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)no2)cn1,RJVFUOBSUWNLPR-UHFFFAOYSA-N,2,1,0.61,27,996,455.356,3.556,5,0.34,0.75,1.0,0.7567336029059009,0.7948050167911727,0.7312727023507641,0.6847800013707079,0.7418978308546365
EOS-2-09855,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)no2)c1,DUDYKORPVLKHDE-UHFFFAOYSA-N,2,1,0.59,27,996,455.356,3.556,5,0.363,0.75,1.0,0.7713316427935029,0.8033376739085738,0.7234853676924131,0.6933983277362757,0.7478882530326914
EOS-2-09856,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)c(F)c5)n34)co2)cc1,SHGBNCWWINVRAO-UHFFFAOYSA-N,2,1,0.529,57,461,455.371,5.241,5,0.326,0.7,1.0,0.9219553149201563,0.887713316427935,0.9702813378109794,0.9576365567815777,0.934396631485162
EOS-2-09857,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)on2)cc1,KZMPMNIBYVTQJM-UHFFFAOYSA-N,2,1,0.608,1,138,455.371,5.183,5,0.34,0.77,1.0,0.9777602631759303,0.9342574189568912,0.9899081625659654,0.9795421835377973,0.970367007059146
EOS-2-09858,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)cc1F,IOBHBFRBOUUHRN-UHFFFAOYSA-N,2,1,0.625,59,294,455.375,4.302,5,0.355,0.68,1.0,0.6722123226646562,0.7696096909053526,0.9540384483585772,0.927198272907957,0.8307646837091357
EOS-2-09859,Cn1nc(-c2ccccc2F)nc1Oc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,NNMOILWVSSQCQK-UHFFFAOYSA-N,2,1,0.477,43,138,455.375,4.537,5,0.37,0.76,1.0,0.6475995476663697,0.7249246110616133,0.9331608525803577,0.889983551504352,0.7989171407031732
EOS-2-09860,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cc(F)cc4F)n23)cc1F,UFOAMCJQHUJSCT-UHFFFAOYSA-N,2,1,0.549,34,607,455.375,3.722,5,0.376,0.59,0.999,0.6504866013295867,0.6917277773970255,0.9267099581934068,0.9209015831677061,0.7974564800219313
EOS-2-09861,Cn1c(-c2cc(F)ccc2F)nnc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,QRRLNCFOHWEVRX-UHFFFAOYSA-N,2,1,0.488,22,311,455.375,4.133,5,0.371,0.75,0.961,0.36083030635323143,0.7436176410115825,0.8656277842505654,0.8955948872592694,0.7164176547186623
EOS-2-09862,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)cc4F)n23)c(OC(F)F)c1,XXRNBLZWFCJTPL-UHFFFAOYSA-N,2,1,0.394,61,252,455.375,4.133,5,0.371,0.73,1.0,0.4421646905626756,0.72493317798643,0.9347114659721746,0.9272068398327736,0.7572540435885134
EOS-2-09863,Cn1nc(-c2ccc(F)cn2)cc1COc1cncc2nnc(-c3ccc(F)c(F)c3F)n12,JZOADRKAQXHYQL-UHFFFAOYSA-N,2,1,0.436,34,877,455.375,3.722,5,0.297,0.58,1.0,0.5846840518127613,0.7065742581043108,0.8627835652114317,0.852331916935097,0.7515934480159002
EOS-2-09864,Cc1nc(-c2ccc(COc3cncc4nnc(-c5c(F)ccc(F)c5F)n34)cc2F)n[nH]1,VEUYRGMYMYQEJG-UHFFFAOYSA-N,2,1,0.568,34,607,455.375,4.02,5,0.318,0.59,1.0,0.880285792611884,0.8187581385785758,0.8972825714481529,0.8860856007127681,0.8706030258378452
EOS-2-09865,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnn(C(F)F)c5)n34)cc2)c(F)c1,YSKHGJZVSAABDU-UHFFFAOYSA-N,2,1,0.5,16,772,455.375,4.302,5,0.355,0.59,1.0,0.6388784182030018,0.6917363443218423,0.927429579878007,0.8941213761908026,0.7880414296484134
EOS-2-09866,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4F)n23)nc1,GILXEPZRMVXTKN-UHFFFAOYSA-N,2,1,0.529,4,10,455.375,4.302,5,0.355,0.67,0.997,0.5874340346789116,0.7343567952847646,0.9408453841409088,0.914382153382222,0.7942545918717018
EOS-2-09867,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C(F)F)c5)nc4)n23)cc1F,GMCGFTVJHLRVIV-UHFFFAOYSA-N,2,1,0.56,59,391,455.375,4.302,5,0.355,0.67,1.0,0.6842488520320745,0.7568449729285176,0.9506973476800767,0.922092385717223,0.828470889589473
EOS-2-09868,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5ccn(C(F)F)n5)cn4)n23)cc1,LIXLJMHPMNCYPW-UHFFFAOYSA-N,2,1,0.481,96,121,455.375,4.713,5,0.345,0.77,1.0,0.37003975053114935,0.5807518333219107,0.9570968405181276,0.9292372010143239,0.7092814063463779
EOS-2-09869,Cn1nccc1-c1nc(COc2cncc3nnc(-c4cc(F)c(F)cc4F)n23)ccc1F,YRUZMANJJMZRSQ-UHFFFAOYSA-N,2,1,0.517,34,607,455.375,3.722,5,0.297,0.66,1.0,0.5490713453498732,0.6477366184634363,0.8712391200054829,0.855501679117264,0.7308871907340141
EOS-2-09870,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)nc2C(F)F)cn1,MMFVKJUHZQPAQA-UHFFFAOYSA-N,2,1,0.523,13,573,455.375,4.595,5,0.361,0.64,1.0,0.5258892467959702,0.5703601535192927,0.9316702076622576,0.8969398944554863,0.7312148756082517
EOS-2-09871,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cnc1-c1cc[nH]n1,FNIUDQUOPPTPNN-UHFFFAOYSA-N,2,1,0.511,27,51,455.375,4.313,5,0.397,0.65,1.0,0.9476646562949763,0.8656963196490988,0.9785398533342471,0.9518538825303269,0.9359386779521623
EOS-2-09872,Fc1cc(F)cc(Oc2cncc3nnc(-c4ccc(-c5cnn(CC(F)F)n5)cc4)n23)c1,CUOPJOKFUYZTEL-UHFFFAOYSA-N,2,1,0.536,13,15,455.375,4.385,5,0.353,0.68,0.983,0.561947433349325,0.7390086354602152,0.8739805359468166,0.8719244739908163,0.7617152696867933
EOS-2-09873,Fc1cccc(F)c1Cn1cnc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,SKEMADUWYNNUSA-UHFFFAOYSA-N,2,1,0.464,22,121,455.375,3.978,5,0.36,0.65,0.994,0.48284901651703105,0.7390172023850319,0.9017031046535535,0.9132513193064218,0.7592051607155097
EOS-2-09874,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1F,SDKUBGZNFAFJRJ-UHFFFAOYSA-N,2,1,0.578,59,607,455.375,3.722,5,0.297,0.69,0.999,0.7145243643341787,0.7696182578301692,0.9422760605852923,0.9355938592282914,0.840503135494483
EOS-2-09875,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cnc(C(F)(F)F)nc5)n34)c(F)c2)n(C)n1,KQAODXZLMZQXGW-UHFFFAOYSA-N,2,1,0.342,50,243,455.379,3.51,5,0.384,0.72,1.0,0.29184942772942224,0.407520046604071,0.6976046878212597,0.5590518127612912,0.48900649372901106
EOS-2-09876,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnco6)c(F)c5)n34)cn2)cn1,KKWFJNFIGXZORR-UHFFFAOYSA-N,2,1,0.392,86,443,455.388,3.639,6,0.392,0.67,1.0,0.39504660407100267,0.45684839969844426,0.6155678157768487,0.6235864574052498,0.5227623192378863
EOS-2-09877,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)c(F)c1,SZIHJDLOLCXNSN-UHFFFAOYSA-N,2,1,0.293,39,449,455.388,3.639,6,0.392,0.65,1.0,0.337733877047495,0.38387533411006786,0.4694160784044959,0.5490799122746899,0.43502630045918717
EOS-2-09878,Fc1ccc(-c2cc(-c3nncc(-c4cncc5nnc(-c6ccc(F)nc6)n45)n3)on2)cc1,KDABGZQJCUSJSG-UHFFFAOYSA-N,2,1,0.354,10,186,455.388,3.639,6,0.367,0.68,0.895,0.2297991912822973,0.3838839010348845,0.5107771914193681,0.602357617709547,0.43170447536152423
EOS-2-09879,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)c1F,CJJXEZUHQLIDGV-UHFFFAOYSA-N,2,1,0.282,39,449,455.388,3.639,6,0.392,0.56,0.997,0.32526900143924337,0.3404581591391954,0.4758669727914468,0.5459358508669728,0.4218824960592146
EOS-2-09880,Fc1cnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)cn1,JVMCAWCXHUECON-UHFFFAOYSA-N,2,1,0.321,86,812,455.392,2.769,6,0.425,0.67,1.0,0.2808409293400041,0.36002501542046467,0.4008892467959701,0.4242683846206566,0.36650589404427386
EOS-2-09881,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cn2)n1,OBOBZDRLDLNEBF-UHFFFAOYSA-N,2,1,0.396,80,816,455.398,1.964,6,0.357,0.64,1.0,0.40777705434857103,0.24495408128298266,0.027893907203070386,0.0177506682201357,0.17459392776368995
EOS-2-09882,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)nc2)n1,KZFPDJNXKXRLMY-UHFFFAOYSA-N,2,1,0.385,80,816,455.398,1.964,6,0.357,0.65,1.0,0.3353694057980947,0.17795216229182373,0.028956205880337194,0.017759235144952368,0.140009252278802
EOS-2-09883,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5cnc6c(F)c(F)ccc6n5)n34)cc2)c1,IZXRDPMECAVYLE-UHFFFAOYSA-N,2,1,0.329,3,192,455.403,4.881,6,0.378,0.62,1.0,0.3950551709958193,0.6001302172572134,0.9060465355356041,0.9313446645192242,0.7081441470769653
EOS-2-09884,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnn(C(F)F)c4)n23)nc1F,HWBPQYVFXIATPP-UHFFFAOYSA-N,2,1,0.406,31,773,455.404,2.939,5,0.348,0.59,0.794,0.4902594064834487,0.4524107326434103,0.5750119936947433,0.46523541909396204,0.4957293879788911
EOS-2-09885,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)n(C)n1,BNNGMQFHDJDUOH-UHFFFAOYSA-N,2,1,0.456,36,292,455.404,3.614,5,0.399,0.65,1.0,0.6104190939620314,0.60013878418203,0.6867675279281749,0.5523096429305736,0.6124087622507025
EOS-2-09886,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)n(C)n1,ZYQCTEVXJIAXLC-UHFFFAOYSA-N,2,1,0.388,36,292,455.404,3.672,5,0.385,0.56,0.999,0.47549859502433006,0.614454115550682,0.5001884723459666,0.4715406757590295,0.515420464670002
EOS-2-09887,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nccn5C)nn4C(F)(F)F)n23)cn1,KAWNDPMKTFPWPJ-UHFFFAOYSA-N,2,1,0.452,27,185,455.404,3.147,5,0.401,0.65,1.0,0.43489993831814133,0.5151548900006854,0.5779932835309437,0.37043382907271605,0.4746204852306216
EOS-2-09888,COc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)c(F)c3)n12,VKBOHCDSBYKQNP-UHFFFAOYSA-N,2,1,0.337,41,38,455.409,4.311,6,0.375,0.66,1.0,0.6842574189568912,0.5473579603865396,0.7002433006647933,0.6120125419779316,0.635967805496539
EOS-2-09889,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(-c6nnco6)c5)o4)n23)cc1,NGQJQNJWESGCKY-UHFFFAOYSA-N,2,1,0.511,77,177,455.409,4.214,6,0.364,0.67,1.0,0.8334332807895278,0.752424439723117,0.5615447878829415,0.5360324857789048,0.6708587485436228
EOS-2-09890,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)o2)cc1,LSGXTAOYYZVLPX-UHFFFAOYSA-N,2,1,0.518,77,937,455.409,4.214,6,0.364,0.74,1.0,0.7301247344253307,0.6868017956274416,0.4553920224796107,0.4464824206702762,0.5797002433006648
EOS-2-09891,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cn1,CDYHHBURBLORSR-UHFFFAOYSA-N,2,1,0.429,67,622,455.413,3.568,6,0.384,0.61,1.0,0.5563874991433075,0.5288020012336372,0.37894078541566717,0.35742067027619767,0.4553877390172024
EOS-2-09892,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)ncc1-c1nc[nH]n1,RMDDIPFWPQBFCU-UHFFFAOYSA-N,2,1,0.495,40,425,455.413,3.345,6,0.401,0.61,1.0,0.6873243780412583,0.5860376259337948,0.4148619011719553,0.3704423959975327,0.5146665752861354
EOS-2-09893,Fc1cncc(-c2noc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)c1,HCPDBDXLIIYIQG-UHFFFAOYSA-N,2,1,0.438,40,763,455.413,3.345,6,0.401,0.63,1.0,0.6753306832979233,0.6282468645055171,0.3190322801727092,0.3351380988280447,0.48943698170104866
EOS-2-09894,Fc1cc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,GKBXXAOFIWWXMB-UHFFFAOYSA-N,2,1,0.494,77,611,455.413,3.345,6,0.401,0.65,1.0,0.8588513467205812,0.6331128778013844,0.5517527928174902,0.48958261942293196,0.6333249091905969
EOS-2-09895,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ncc(-c6nnco6)cc5F)n34)cc2)cn1,CQXLWTUNKMHDBV-UHFFFAOYSA-N,2,1,0.407,67,622,455.413,3.568,6,0.384,0.67,1.0,0.5078901377561511,0.48297752038928105,0.46568946610924544,0.38638544308135153,0.4607356418340073
EOS-2-09896,COc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cncc(C#N)n1,KIHHXDUMSVSZPC-UHFFFAOYSA-N,2,1,0.402,49,122,455.413,2.637,5,0.351,0.61,1.0,0.6018950037694469,0.5754317730107601,0.3486738400383798,0.2646837091357686,0.44767108148858886
EOS-2-09897,COc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cnco4)c(F)c3)n12,NTEMWYYBSUOWHB-UHFFFAOYSA-N,2,1,0.33,9,38,455.413,3.441,6,0.415,0.69,1.0,0.5733157425810431,0.47893393187581385,0.5874683023781784,0.5224282091700363,0.5405365465012679
EOS-2-09898,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccnnc6)o5)n34)cc2)n[nH]1,YPGUJJNNVVYWHU-UHFFFAOYSA-N,2,1,0.484,40,117,455.413,3.345,6,0.401,0.54,1.0,0.6504951682544033,0.5908179699814955,0.4656980330340621,0.41789459255705574,0.5312264409567542
EOS-2-09899,Fc1ccc(-c2nocc2-c2nnc3cncc(OCc4cnc(-c5cn[nH]c5)cn4)n23)cc1,KBNFAHUDRFTBIC-UHFFFAOYSA-N,2,1,0.438,6,355,455.413,3.344,6,0.401,0.6,1.0,0.495099719004866,0.4655352614625454,0.4185885134672058,0.42427695154547324,0.4508751113700226
EOS-2-09900,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3F)n12,GZSOUTXLTLBIOG-UHFFFAOYSA-N,2,1,0.312,9,7,455.413,3.441,6,0.415,0.69,1.0,0.5874426016037283,0.5288105681584538,0.5181790144609691,0.439860187786992,0.5185730930025358
EOS-2-09901,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)no2)c1,YAWKPNBPVXJFET-UHFFFAOYSA-N,2,1,0.452,40,611,455.413,3.345,6,0.401,0.64,1.0,0.684265985881708,0.542474813241039,0.3005362894935234,0.3190922486464259,0.4615923343156741
EOS-2-09902,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)no2)nc1,INIWWGORQYQZOI-UHFFFAOYSA-N,2,1,0.427,40,763,455.413,3.345,6,0.401,0.66,1.0,0.69935234048386,0.6047734905078473,0.27516105818655334,0.29735796038653967,0.4691612123912001
EOS-2-09903,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5cncn5)cn4)n23)ccc1-c1cnco1,GFFJLIPYTWILKE-UHFFFAOYSA-N,2,1,0.545,40,932,455.413,3.14,6,0.373,0.6,1.0,0.437512850387225,0.3931447467617024,0.5348331163045713,0.46844801590021246,0.4584846823384278
EOS-2-09904,Fc1ccccc1-c1noc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,CPVUBSBXVFSFJD-UHFFFAOYSA-N,2,1,0.452,40,611,455.413,3.345,6,0.401,0.6,1.0,0.7301333013501473,0.6424422589267357,0.282597148927421,0.3069443492563909,0.49052926461517377
EOS-2-09905,Cn1nncc1-c1cc(-c2nnc3cncc(Oc4cccc(-c5nc[nH]n5)n4)n23)ccc1F,ZXIBYFHWIGKBJB-UHFFFAOYSA-N,2,1,0.369,13,706,455.417,2.698,6,0.416,0.64,0.998,0.4629823178671784,0.5379771777122884,0.25329826605441713,0.2408162565965321,0.373768504557604
EOS-2-09906,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnn(C)n6)cnc5F)n34)cc2)no1,SDWVKGJRNUSOEE-UHFFFAOYSA-N,2,1,0.318,98,882,455.417,2.541,6,0.364,0.66,1.0,0.21580940305667878,0.29123260914262217,0.10512473442533068,0.11217531354944829,0.18108551504351997
EOS-2-09907,Cc1nc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6nnc(C)o6)cn5)n34)c(F)c2)n[nH]1,LTMDRHWTTQUWFE-UHFFFAOYSA-N,2,1,0.255,70,968,455.417,2.839,6,0.42,0.68,0.972,0.23543622781166473,0.3551761359742307,0.06988897265437599,0.07095127133164279,0.18286315194297856
EOS-2-09908,Fc1cc(-c2nnc3cncc(OCc4ncn(-c5ccccc5)n4)n23)ccc1-c1nn[nH]n1,LQEKQJMEIURBJT-UHFFFAOYSA-N,2,1,0.447,43,807,455.417,2.27,6,0.401,0.64,1.0,0.43278390788842436,0.49216983071756565,0.18308375025700774,0.217428551847029,0.3313665101775067
EOS-2-09909,Fc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nc5)n34)cc2)n[nH]1,SPLYAZPTARTCHV-UHFFFAOYSA-N,2,1,0.489,56,425,455.417,2.27,6,0.401,0.58,1.0,0.5003940785415667,0.3646425878966486,0.267562195874169,0.22021280241244603,0.3382029161812076
EOS-2-09910,Fc1cc(-c2nnc3cncc(OCc4ccn(-c5ccccn5)n4)n23)ccc1-c1nn[nH]n1,MXCNKDUVUYCUQU-UHFFFAOYSA-N,2,1,0.484,71,6,455.417,2.27,6,0.401,0.66,1.0,0.3448701254197793,0.44364676855595914,0.21720581180179563,0.22598690973888014,0.30792740387910356
EOS-2-09911,Cn1nc(-c2ccc(F)cn2)cc1Oc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,GPUXJJFSDFLKCC-UHFFFAOYSA-N,2,1,0.354,6,584,455.417,2.698,6,0.416,0.6,1.0,0.45837331231581113,0.5061853197176341,0.18962031389212528,0.17236652731135632,0.3316363683092317
EOS-2-09912,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5F)n34)cc2)o1,OBVJNTIORJFJNP-UHFFFAOYSA-N,2,1,0.326,98,424,455.417,2.541,6,0.364,0.66,1.0,0.2433177986429991,0.2859039819066548,0.08310773764649441,0.08916455349187856,0.1753735179220067
EOS-2-09913,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5cc[nH]n5)n4)n23)ccc1-c1nn[nH]n1,AUGLRJJMWWPNGS-UHFFFAOYSA-N,2,1,0.49,4,268,455.417,2.475,6,0.386,0.62,0.999,0.6244088821876499,0.647745185388253,0.2932801041738058,0.28818278390788843,0.4634042389143993
EOS-2-09914,Fc1nc(-c2nnc3cncc(OCCc4nnc5cnccc5n4)n23)ccc1-c1cc[nH]n1,GTFKMCXGOZNEGX-UHFFFAOYSA-N,2,1,0.352,31,773,455.417,2.07,6,0.37,0.53,0.738,0.5788414090877938,0.5424833801658556,0.07207353848262628,0.11218388047426496,0.3263955520526352
EOS-2-09915,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6n[nH]c(F)n6)cc5)n34)nn2)cn1,UVZHBODTJNPXTF-UHFFFAOYSA-N,2,1,0.402,67,622,455.417,2.698,6,0.416,0.6,1.0,0.4516996778836269,0.5061938866424508,0.25656226440956753,0.19979782057432663,0.353563412377493
EOS-2-09916,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccc(F)cc5)cc4F)n23)cc1,NRFOVPRYZIKUHA-UHFFFAOYSA-N,2,1,0.59,79,590,455.424,5.312,5,0.345,0.78,1.0,0.9930779247481324,0.9837913782468645,0.9765523267767802,0.9723888013158797,0.9814526077719141
EOS-2-09917,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)ccc1C(F)F,YPGQGBMXFFYGQK-UHFFFAOYSA-N,2,1,0.547,27,51,455.425,4.361,5,0.376,0.67,1.0,0.4976612295250497,0.6001473511068467,0.8865396477280515,0.843250976629429,0.7068998012473443
EOS-2-09918,FCc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccn2)s1,QJVGBVHABKOVLP-UHFFFAOYSA-N,2,1,0.446,2,564,455.425,4.032,5,0.382,0.61,1.0,0.7022479610718936,0.5908265369063121,0.6330015077787677,0.6177438146802824,0.6359549551093139
EOS-2-09919,Fc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)cs1,QWLRYDMUGLVRCV-UHFFFAOYSA-N,2,1,0.483,27,430,455.425,4.361,5,0.376,0.69,1.0,0.759672058118018,0.7608114591186348,0.8327136591049277,0.7394798163251319,0.7731692481666781
EOS-2-09920,Fc1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)s1,CYZOSQKTDONVKN-UHFFFAOYSA-N,2,1,0.524,27,69,455.425,4.361,5,0.376,0.63,1.0,0.6415941333698856,0.7568535398533343,0.8107394969501748,0.7070197381947776,0.729051727092043
EOS-2-09921,Cc1ncc(-c2nc(F)cs2)nc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,XWGRCYNGUBHUEQ-UHFFFAOYSA-N,2,1,0.506,4,10,455.425,4.01,5,0.395,0.63,1.0,0.672220889589473,0.8475515728873964,0.4445719964361593,0.5025186758961003,0.6167157837022822
EOS-2-09922,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccc(-c4cscn4)c(F)n3)n12,BFTCESSEIOUMFM-UHFFFAOYSA-N,2,1,0.46,18,559,455.425,3.744,5,0.36,0.58,1.0,0.730141868274964,0.6868103625522582,0.6483363032006031,0.6582739359879378,0.6808906175039408
EOS-2-09923,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cs2)nc1,SXUSQZXDVAAFNU-UHFFFAOYSA-N,2,1,0.489,27,786,455.425,4.361,5,0.376,0.71,1.0,0.6416027002947022,0.7738674525392365,0.6867760948529916,0.6323846891919677,0.6836577342197245
EOS-2-09924,Fc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cc1,OOPYHGDQELABQP-UHFFFAOYSA-N,2,1,0.506,27,539,455.425,4.361,5,0.376,0.7,1.0,0.6476081145911864,0.822750325543143,0.6569546295661709,0.6525597971352204,0.6949682167089302
EOS-2-09925,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1-c1cscn1,LZXCFBNWSZJHMG-UHFFFAOYSA-N,2,1,0.511,27,69,455.425,4.361,5,0.376,0.71,0.961,0.6598331163045713,0.765343362346652,0.7535895414981838,0.6818329792337743,0.7151497498457953
EOS-2-09926,Fc1cncc(-c2nnc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)s2)c1,FXMIQZOEJFEIMV-UHFFFAOYSA-N,2,1,0.583,54,381,455.425,3.744,5,0.385,0.65,1.0,0.744996915907066,0.5754403399355768,0.5810688095401275,0.6641508464121719,0.6414142279487356
EOS-2-09927,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)nc2F)s1,OSIVPXNVSIOEQZ-UHFFFAOYSA-N,2,1,0.435,19,223,455.425,4.01,5,0.37,0.7,1.0,0.6444811870331026,0.6477537523130698,0.5971917620450963,0.6292149270098005,0.6296604071002674
EOS-2-09928,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1-c1csnn1,ZCISZVXEBZKVED-UHFFFAOYSA-N,2,1,0.529,27,69,455.425,4.361,5,0.376,0.72,1.0,0.6328130354328011,0.6966880268658763,0.877758549790967,0.8313772188335276,0.759659207730793
EOS-2-09929,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)sn2)cn1,VCBFXUYKESXAII-UHFFFAOYSA-N,2,1,0.483,27,430,455.425,4.361,5,0.351,0.68,0.999,0.6660869714207388,0.7436262079363991,0.7896734288259887,0.7259098074155301,0.7313241038996642
EOS-2-09930,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccs5)cn4)n23)cn1,AZCSIRRUVPBDTK-UHFFFAOYSA-N,2,1,0.561,27,69,455.425,4.303,5,0.39,0.68,1.0,0.7209752587211294,0.7653519292714687,0.8753084092934,0.7259183743403468,0.7718884929065862
EOS-2-09931,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cn1,FDNHPTYBOHQTKL-UHFFFAOYSA-N,2,1,0.561,27,69,455.425,4.303,5,0.39,0.69,1.0,0.7085103831128778,0.7568621067781509,0.9049157014598039,0.7749554519909533,0.7863109108354465
EOS-2-09932,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4F)n23)c(F)c1,AEFBIOCDUZIQFC-UHFFFAOYSA-N,2,1,0.326,42,192,455.428,4.792,6,0.38,0.67,1.0,0.3839952710575012,0.42142416558152285,0.8471831951202796,0.8334846823384278,0.6215218285244328
EOS-2-09933,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)c(F)c4F)n23)cn1,HFMHCLVVZDPLNC-UHFFFAOYSA-N,2,1,0.286,42,693,455.428,4.792,6,0.38,0.71,1.0,0.2621907340141183,0.28591254883147144,0.7812178740319375,0.7653347954218354,0.5236639880748406
EOS-2-09934,Cn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)o5)n34)c2)nn1,YBPSTHKAYXABBP-UHFFFAOYSA-N,2,1,0.305,3,192,455.428,4.792,6,0.38,0.75,1.0,0.1331471455006511,0.27553800287848673,0.8198033034062093,0.8452299362620793,0.5184295970118566
EOS-2-09935,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)c(F)c1,BWAJLEZMKKICML-UHFFFAOYSA-N,2,1,0.58,84,56,455.428,4.02,5,0.356,0.74,1.0,0.947673223219793,0.957602289082311,0.9027996710300871,0.8816393667329175,0.9224286375162771
EOS-2-09936,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)c(F)c6)c5)n34)cc2)o1,UAHOJQGQQDFRNU-UHFFFAOYSA-N,2,1,0.343,3,150,455.428,4.886,6,0.376,0.71,1.0,0.11386299773833185,0.35026728805428003,0.8613357549174149,0.8393958604619286,0.5412154752929889
EOS-2-09937,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cn2)cc1C#N,ODERZEDNRVNNDE-UHFFFAOYSA-N,2,1,0.494,59,16,455.428,4.286,5,0.39,0.67,1.0,0.8452470701117127,0.8568895209375642,0.8993129326297032,0.867135563018299,0.8671462716743198
EOS-2-09938,N#CCOc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,OMDNAFYRZLZPSV-UHFFFAOYSA-N,2,1,0.363,96,680,455.428,4.755,5,0.364,0.64,1.0,0.5563960660681242,0.5658453841409088,0.9192910013021726,0.8704166952230827,0.727987286683572
EOS-2-09939,Cc1onc(-c2ccc(F)cc2F)c1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,LTTQQCIVWBSWLD-UHFFFAOYSA-N,2,1,0.337,3,668,455.428,4.886,6,0.376,0.67,0.916,0.022419642245219657,0.21913336988554588,0.6537934343088205,0.7259269412651634,0.4053183469261874
EOS-2-09940,N#CCc1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)cn2)cc1,AWMBGCVEZZUEGX-UHFFFAOYSA-N,2,1,0.483,97,109,455.428,4.172,5,0.379,0.76,1.0,0.8430796381330957,0.769626824754986,0.9071088342128709,0.8803114933863341,0.8500316976218216
EOS-2-09941,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)c(F)c5)n34)cc2F)n[nH]1,UGNAKTBNAGZADE-UHFFFAOYSA-N,2,1,0.318,3,192,455.428,5.09,6,0.398,0.69,1.0,0.40131759303680353,0.4214327325063395,0.8830100747035844,0.8734836543074498,0.6448110136385443
EOS-2-09942,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncs6)cc5)n34)s2)c1,TULCCZHLWQRBAE-UHFFFAOYSA-N,2,1,0.264,76,126,444.57,5.767,6,0.345,0.62,1.0,0.08883044342402852,0.13860427660886848,0.36724693304091566,0.43986875471180864,0.2586376019464053
EOS-2-09943,c1cc(-c2cncc3nnc(-c4ccc(-c5ccsc5)s4)n23)cc(-c2cncs2)n1,LLQQJKKJADJXDT-UHFFFAOYSA-N,2,1,0.282,70,723,444.57,5.767,6,0.345,0.66,1.0,0.051744225892673565,0.09559831402919608,0.42616167500514013,0.4715492426838462,0.26126336440271397
EOS-2-09944,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2)c1,OWNNHLYNFKQWSA-UHFFFAOYSA-N,2,1,0.314,38,653,444.57,5.767,6,0.345,0.66,1.0,0.03979336577342197,0.11751250771023233,0.4224950311836063,0.502527242820917,0.2705820368720444
EOS-2-09945,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)c(F)c1,QVGPFCXYFHEDAO-UHFFFAOYSA-N,2,1,0.322,10,115,455.432,3.718,6,0.402,0.69,1.0,0.031577684874237545,0.2295336166129806,0.5906723322596121,0.6440442738674526,0.3739569769035707
EOS-2-09946,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)c(F)c6)c5)n34)cc2)n[nH]1,RRHUGUIDDXUXDS-UHFFFAOYSA-N,2,1,0.327,3,150,455.432,4.016,6,0.431,0.77,1.0,0.028013844150503734,0.21408745116852854,0.70025186758961,0.6987869234459598,0.41028502158865054
EOS-2-09947,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1F,MVZVEXVFIULKHK-UHFFFAOYSA-N,2,1,0.315,10,115,455.432,3.718,6,0.402,0.65,1.0,0.028022411075320403,0.22954218353779726,0.5939534644643959,0.646999862929203,0.3746294805016791
EOS-2-09948,Cn1cnc(-c2ccc(F)c(F)c2)c1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,RGESNEPQPZEZMT-UHFFFAOYSA-N,2,1,0.269,9,7,455.432,3.922,6,0.432,0.67,1.0,0.18838667671852513,0.28592111575628815,0.6244517168117333,0.6698564183400727,0.4421539819066548
EOS-2-09949,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ncn(-c4ccc(F)cc4F)n3)n12,XYSCQQBSFNLRJZ-UHFFFAOYSA-N,2,1,0.275,10,748,455.432,3.718,6,0.402,0.74,0.03,0.0157545747378521,0.12458022068398328,0.3711705846069495,0.5025358097457336,0.25351029744362963
EOS-2-09950,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6c(F)cccc6F)nn5)n34)cc2)n[nH]1,ZZHSRAPNIOWXOT-UHFFFAOYSA-N,2,1,0.308,3,783,455.432,4.016,6,0.431,0.64,1.0,0.0245099719004866,0.24985436227811664,0.6299945171681174,0.6758275649372901,0.39504660407100267
EOS-2-09951,Cn1cc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(-c2cc(F)c(F)cn2)n1,WQQIHMCWNNXDCC-UHFFFAOYSA-N,2,1,0.268,10,195,455.432,3.718,6,0.402,0.67,0.72,0.00770166541018436,0.07580871770269344,0.5449163868137893,0.5994876978959632,0.3069786169556576
EOS-2-09952,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(F)cc(F)c6)nn5)n34)cc2)n[nH]1,LLELKMMRVJZLJZ-UHFFFAOYSA-N,2,1,0.296,3,783,455.432,4.016,6,0.431,0.61,1.0,0.030241244602837364,0.19516311424850935,0.6867846617778083,0.718096771982729,0.40757144815297097
EOS-2-09953,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c1-c1ccc(F)cc1,SUQMBOPBNLXOSX-UHFFFAOYSA-N,2,1,0.341,3,7,455.432,3.922,6,0.432,0.62,1.0,0.17395997532725652,0.3456754163525461,0.6569631964909876,0.7154495922143788,0.47301204509629224
EOS-2-09954,Cn1cnc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3cn(-c4cccc(F)c4)nn3)n12,IXNWUXZQWFIZNA-UHFFFAOYSA-N,2,1,0.278,10,783,455.432,3.718,6,0.402,0.66,0.841,0.012593379480501678,0.14594613117675279,0.4932406963196491,0.6235950243300665,0.31884380782674254
EOS-2-09955,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c(F)c1,SJSMZADVAVECPE-UHFFFAOYSA-N,2,1,0.31,96,7,455.432,3.922,6,0.432,0.7,1.0,0.2702265094921527,0.32161949146734287,0.7002604345144267,0.7015883078610102,0.4984236858337331
EOS-2-09956,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)c(F)c1,HQKPVYVKCVWDAU-UHFFFAOYSA-N,2,1,0.302,96,7,455.432,3.922,6,0.432,0.59,1.0,0.28359091220615446,0.3355750119936947,0.7741501610581866,0.765343362346652,0.5396648619011719
EOS-2-09957,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)cc(F)c5)c4)n23)cc1,CIQBZOPYKCOCCH-UHFFFAOYSA-N,2,1,0.329,3,642,455.432,3.718,6,0.402,0.77,1.0,0.02451853882530327,0.20924713864711122,0.6704132684531561,0.6987954903707765,0.4007436090740868
EOS-2-09958,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5F)c4)n23)cc1,AWYXSXKLBDSLBD-UHFFFAOYSA-N,2,1,0.321,3,642,455.432,3.718,6,0.402,0.69,1.0,0.04417963127955589,0.24496264820779934,0.6731289836200397,0.6934068946610924,0.4139195394421218
EOS-2-09959,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3cn(-c4cccc(F)c4F)nn3)n12,VEYCMOBTJRRSDK-UHFFFAOYSA-N,2,1,0.291,10,39,455.432,3.718,6,0.402,0.62,0.801,0.01576314166266877,0.12458878760879995,0.4517253786580769,0.5719021999862929,0.29099487697895965
EOS-2-09960,Cn1ncc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)c1-c1cccc(F)c1,PRZRGKZRYAACII-UHFFFAOYSA-N,2,1,0.349,10,783,455.432,3.718,6,0.402,0.64,1.0,0.01657699952025221,0.14231375505448565,0.5650572270577754,0.6727434720032897,0.3491728634089507
EOS-2-09961,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)c(F)c5)n4)n23)cc1,QFMAISKHGFFVSK-UHFFFAOYSA-N,2,1,0.313,3,115,455.432,3.718,6,0.402,0.67,1.0,0.060396819957508056,0.24986292920293332,0.6155763827016654,0.6354345144267014,0.39031766157220205
EOS-2-09962,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(F)cc(F)c6)c5)n34)cc2)n[nH]1,JDZALMLXQADVNW-UHFFFAOYSA-N,2,1,0.306,3,150,455.432,4.016,6,0.431,0.77,1.0,0.022428209170036323,0.1737543691316565,0.664947570420122,0.6758361318621068,0.38424157014598037
EOS-2-09963,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1,POFMURZPZSRRIS-UHFFFAOYSA-N,2,1,0.31,3,635,455.432,3.718,6,0.402,0.73,1.0,0.051752792817490234,0.21409601809334522,0.6005242957987801,0.6236035912548832,0.37249417449112465
EOS-2-09964,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cnn(C)c6)o5)n34)cc2)n1,IRQUWEUTVWLCLV-UHFFFAOYSA-N,2,1,0.467,56,197,455.438,3.117,6,0.368,0.69,1.0,0.3884415050373518,0.2755465698033034,0.14510657254471934,0.0837502570077445,0.22321122609827979
EOS-2-09965,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnco6)n(C)n5)n34)cc2)n1,ILMRXQJBSOOQTG-UHFFFAOYSA-N,2,1,0.451,71,415,455.442,1.949,6,0.366,0.62,1.0,0.27023507641696937,0.19970358440134328,0.04516482763347269,0.028904804331437186,0.13600207319580562
EOS-2-09966,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nnc(C)o6)nn5C)n34)cn2)n[nH]1,QVAHZIJNHWQITB-UHFFFAOYSA-N,2,1,0.313,53,502,455.442,2.769,6,0.411,0.6,0.995,0.2890994448632719,0.21410458501816187,0.03913371256253855,0.019369817010485915,0.14042688986361454
EOS-2-09967,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)on2)nn1,VVXUEGKETVINFR-UHFFFAOYSA-N,2,1,0.432,80,833,455.442,1.949,6,0.366,0.67,1.0,0.2517390857377836,0.17376293605647317,0.046886779521622915,0.03065245699403742,0.12576031457747927
EOS-2-09968,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cnco6)nn5C)n34)cc2)n[nH]1,VDHLCNPAOKJXEM-UHFFFAOYSA-N,2,1,0.418,56,425,455.442,2.247,6,0.396,0.59,1.0,0.392767802069769,0.2912411760674388,0.0207576588307861,0.012687615653485026,0.17936356315536972
EOS-2-09969,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n(C)n2)no1,LUBWDCPFVXENNZ-UHFFFAOYSA-N,2,1,0.394,56,415,455.442,2.247,6,0.396,0.63,0.999,0.38845007196216846,0.31141628401069155,0.011668151600301557,0.009312247275717908,0.18021168871221985
EOS-2-09970,CCn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cc(-c5nncn5C)no4)n23)cc1,FONGSVOHNUGWHV-UHFFFAOYSA-N,2,1,0.424,67,789,455.442,2.646,6,0.368,0.6,1.0,0.33537797272291137,0.24987149612774998,0.03643513124528819,0.028913371256253855,0.16264949283805083
EOS-2-09971,Cc1noc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n(C)n2)n1,PMNBBBQMWQSMGJ-UHFFFAOYSA-N,2,1,0.413,56,425,455.442,2.247,6,0.396,0.69,1.0,0.4167551915564389,0.2912497429922555,0.04202933315057227,0.026026317593036804,0.19401514632307584
EOS-2-09972,Fc1cc(-c2nnc3cncc(-c4cnnc(-c5cccnn5)n4)n23)ccc1-c1csnn1,JFYZABFNNAOLPS-UHFFFAOYSA-N,2,1,0.329,98,63,455.442,2.758,6,0.39,0.63,0.926,0.15500993763278734,0.29638989788225617,0.17356589678568982,0.2617366869988349,0.22167560482489204
EOS-2-09973,Cc1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n(C)n2)no1,RXZCORHDPVRJBA-UHFFFAOYSA-N,2,1,0.417,56,425,455.442,2.247,6,0.396,0.62,1.0,0.370048317455966,0.3011959427044068,0.019806730176135975,0.014169693646768556,0.17630517099581933
EOS-2-09974,Cn1cc(-c2noc(COc3cncc4nnc(-c5ccc(-c6cncn6C)nc5)n34)n2)cn1,CSKOLNYMLOPVGR-UHFFFAOYSA-N,2,1,0.369,80,816,455.442,1.949,6,0.366,0.62,1.0,0.3179185799465424,0.19517168117332603,0.0484887944623398,0.03066102391885409,0.14806001987526557
EOS-2-09975,N#Cc1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)ccn2)cn1,PRCBAMNJPSLHDK-UHFFFAOYSA-N,2,1,0.265,94,165,455.445,3.034,6,0.389,0.67,0.93,0.11387156466314852,0.13136522513878418,0.4185970803920225,0.3898978822561853,0.26343293811253515
EOS-2-09976,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)n(C)n1,JODZISHTJDXUIP-UHFFFAOYSA-N,2,1,0.34,67,789,455.446,1.776,6,0.393,0.61,1.0,0.31545130559934204,0.2703293125899527,0.01981529710095264,0.013287300390651772,0.15472080392022478
EOS-2-09977,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)s5)n34)cn2)cc1CO,XOMNWCGMAOLAPS-UHFFFAOYSA-N,2,1,0.441,36,617,455.45,2.998,5,0.42,0.55,0.98,0.46788259886231237,0.5473665273113563,0.4932492632444658,0.4213556301829895,0.482463504900281
EOS-2-09978,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cnn(C(F)F)c1,UPSJNVFFBQCSAD-UHFFFAOYSA-N,2,1,0.477,16,375,455.45,4.094,5,0.365,0.57,1.0,0.5232934685765198,0.5520098005619902,0.7102751696251114,0.5459444177917895,0.5828807141388528
EOS-2-09979,Fc1ccnc(COc2cncc3nnc(-c4ccc(N5CCOc6ccccc65)nc4)n23)c1,OPGASPICSNOXCH-UHFFFAOYSA-N,2,1,0.489,1,881,455.453,3.83,6,0.395,0.7,1.0,0.37703036118155026,0.24988006305256666,0.3672554999657323,0.34140052086902883,0.33389161126721956
EOS-2-09980,CCn1nc(-c2nnc(OC)s2)cc1-c1cncc2nnc(-c3ccc(C(F)F)cn3)n12,NSNSSHMYJBSSIW-UHFFFAOYSA-N,2,1,0.3,50,542,455.454,3.534,5,0.383,0.57,0.07,0.22420498937701322,0.265086354602152,0.11606469741621547,0.11686142142416558,0.18055436570488656
EOS-2-09981,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)sn2)n1C,MNYSIJSOVNPXSW-UHFFFAOYSA-N,2,1,0.506,92,185,455.454,3.263,5,0.384,0.62,0.739,0.4421732574874923,0.44823007333287646,0.13928106366938522,0.1237492289767665,0.28835840586663014
EOS-2-09982,Cc1cnc(Cn2nnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5C)n34)n2)s1,CFNFSIPEBNNDHA-UHFFFAOYSA-N,2,1,0.382,50,542,455.454,3.168,5,0.384,0.63,0.867,0.28359947913097117,0.38858714275923517,0.13297580700431774,0.17237509423617298,0.24438438078267427
EOS-2-09983,CCn1cnnc1-c1cc(C#N)cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)c1,NRURPDCUYCMMBO-UHFFFAOYSA-N,2,1,0.453,36,908,455.457,3.363,5,0.382,0.61,1.0,0.44218182441230897,0.4075286135288877,0.49665889932149954,0.42762661914879035,0.4434989891028716
EOS-2-09984,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)nn5C)n34)c(F)c2)n[nH]1,MPGVIPZFCOFRSO-UHFFFAOYSA-N,2,1,0.286,98,765,455.461,2.825,6,0.434,0.68,0.868,0.13589712836680146,0.2912583099170722,0.17007915838530602,0.18595367007059146,0.1957970666849428
EOS-2-09985,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3scnc3-c3cnccn3)n12,MFYYWKLGCFLRCX-UHFFFAOYSA-N,2,1,0.329,86,596,455.463,3.43,6,0.381,0.6,1.0,0.28084949626482075,0.117521074635049,0.1392896305942019,0.12581385785758345,0.1658685148379138
EOS-2-09986,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccns6)no5)n34)cc2)cn1,RUVFBCPBQAYNPR-UHFFFAOYSA-N,2,1,0.456,80,355,455.463,3.334,6,0.368,0.58,1.0,0.4167637584812556,0.43936330614762525,0.09485299157014598,0.10527037214721403,0.2640626070865602
EOS-2-09987,c1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)no1,ZDZSJNVAXAIKIF-UHFFFAOYSA-N,2,1,0.518,6,297,455.463,3.334,6,0.368,0.55,1.0,0.4755071619491467,0.3744174491124666,0.1798197519018573,0.15118908916455348,0.29523336303200604
EOS-2-09988,c1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncs6)n5)n34)cc2)o1,FNYAIZINQRPJSH-UHFFFAOYSA-N,2,1,0.446,40,350,455.463,3.334,6,0.368,0.64,1.0,0.41677232540607223,0.4214412994311562,0.19297854842025908,0.16961654444520594,0.3002021794256734
EOS-2-09989,c1cc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)s2)cnn1,ZJBCRDYQKSNMHF-UHFFFAOYSA-N,2,1,0.462,81,117,455.463,3.334,6,0.368,0.58,1.0,0.29731512576245633,0.36465115482146526,0.10760914262216435,0.11219244739908163,0.2204419676512919
EOS-2-09990,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncs6)n5)n34)cn2)o1,PBTJBMWRWXIGLH-UHFFFAOYSA-N,2,1,0.422,80,277,455.463,3.334,6,0.368,0.63,1.0,0.3471831951202796,0.39315331368651907,0.17982831882667397,0.1563463779041875,0.26912780138441506
EOS-2-09991,c1csc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)c1,BTDKEJOGXYLHMP-UHFFFAOYSA-N,2,1,0.457,71,117,455.463,3.334,6,0.368,0.66,1.0,0.5053286272359674,0.48298608731409776,0.12189877321636625,0.12375779590158317,0.30849282091700364
EOS-2-09992,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6csnn6)cn5)n34)cc2)o1,DYXZAFQVANCVRO-UHFFFAOYSA-N,2,1,0.472,40,355,455.463,3.334,6,0.368,0.56,1.0,0.33053766020149405,0.34046672606401207,0.21392467959701186,0.1998063874991433,0.27118386334041533
EOS-2-09993,c1cnnc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)s2)c1,ZQRDHYIKMYPKRF-UHFFFAOYSA-N,2,1,0.472,81,117,455.463,3.334,6,0.368,0.64,1.0,0.37471729148105,0.3696713727640326,0.06989753957919265,0.0787214721403605,0.22325191899115893
EOS-2-09994,c1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)cs1,LVXUUEREWUJAMQ-UHFFFAOYSA-N,2,1,0.422,56,614,455.467,2.464,6,0.397,0.64,1.0,0.45625728188609416,0.41235179220067164,0.08311630457131108,0.09111781235007882,0.2607107977520389
EOS-2-09995,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)nn5)n34)cc2)n[nH]1,QVVKGQBATAGBQL-UHFFFAOYSA-N,2,1,0.457,71,117,455.467,2.464,6,0.397,0.68,1.0,0.342479953395929,0.3355835789185114,0.09261702419299568,0.09299396888492907,0.21591863134809128
EOS-2-09996,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cn5)n34)cn2)n[nH]1,IUEWZJCMQCCBNE-UHFFFAOYSA-N,2,1,0.439,6,584,455.467,2.464,6,0.397,0.62,1.0,0.3471917620450963,0.3502758549790967,0.11023918854088137,0.09695188815022959,0.22616467342882596
EOS-2-09997,c1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)s2)nc1,HBPYDDJYZZPBIU-UHFFFAOYSA-N,2,1,0.429,6,584,455.467,2.464,6,0.397,0.61,1.0,0.3494277294222466,0.40753718045370435,0.02456137344938661,0.025118223562470017,0.2016611267219519
EOS-2-09998,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nncs6)cn5)n34)cn2)n[nH]1,JNBRHGOBAWPGEK-UHFFFAOYSA-N,2,1,0.439,6,584,455.467,2.464,6,0.397,0.59,1.0,0.4054811184977041,0.3981306970050031,0.09045815913919539,0.0767767802069769,0.24271168871221988
EOS-2-09999,CCc1nc(-c2nnc3cncc(OCCc4nccs4)n23)ccc1-c1cncc(C)n1,OIFCZZRMLUZVFU-UHFFFAOYSA-N,2,1,0.511,31,690,444.524,3.592,5,0.375,0.56,0.578,0.37472585840586664,0.2703378795147694,0.03246007813035433,0.024167294907819888,0.17542277773970258
EOS-2-10000,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nc(C)c(C)nc5C)nc4)n23)n1,LXVXMMFBIMQJCV-UHFFFAOYSA-N,2,1,0.467,7,464,444.524,3.912,5,0.402,0.7,1.0,0.3400383798231787,0.3166335412240422,0.026643136179836886,0.011822356247001576,0.17378435336851486
EOS-2-10001,Cc1ncc(CCOc2cncc3nnc(-c4cccc(-c5nnc6n5CCC6)c4)n23)s1,NQYPEELPVMNORJ-UHFFFAOYSA-N,2,1,0.517,15,931,444.524,3.382,6,0.396,0.59,1.0,0.24332636556781578,0.1692053320540059,0.002184565828250291,0.006622232883284216,0.10533462408333905
EOS-2-10002,COc1cccc(-c2nccnc2-c2nnc3cncc(-c4nc5cc(F)ccc5s4)n23)c1,OMPTYTBIIQJKAR-UHFFFAOYSA-N,2,1,0.292,64,449,455.478,4.673,6,0.381,0.73,0.943,0.3608388732780481,0.43513124528819136,0.3789493523404839,0.4398773216366253,0.4036991981358372
EOS-2-10003,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)c(F)c2)n1,ZHVNIIFHUHFROI-UHFFFAOYSA-N,2,1,0.338,32,572,455.478,5.079,6,0.366,0.66,1.0,0.34943629634706325,0.4393718730724419,0.5037694469193338,0.5126790487286683,0.4513141662668768
EOS-2-10004,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2OC)cn1,ZCIXMDGLUBARNO-UHFFFAOYSA-N,2,1,0.566,35,393,455.478,3.282,5,0.348,0.72,1.0,0.4951082859296827,0.19971215132615996,0.41860564731683914,0.22305702145157974,0.33412077650606536
EOS-2-10005,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(=O)OC)cc4)n23)cc1,OXGYBMCWJHNPDS-UHFFFAOYSA-N,2,1,0.524,89,520,455.478,3.435,5,0.343,0.69,1.0,0.512816119525735,0.21914193681036256,0.2826057158522377,0.14852477554656981,0.2907721369337263
EOS-2-10006,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)c(F)c2)no1,MLYCPLWLSUUCDB-UHFFFAOYSA-N,2,1,0.329,69,867,455.478,5.079,6,0.366,0.72,1.0,0.35153519292714686,0.42144986635597287,0.5717908299636763,0.5719107669111095,0.4791716640394764
EOS-2-10007,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)c(F)c2)s1,HEFURMURZTXKMP-UHFFFAOYSA-N,2,1,0.351,9,38,455.478,5.079,6,0.366,0.66,1.0,0.32029161812075935,0.4214584332807895,0.565065793982592,0.5814457542320609,0.4720653999040505
EOS-2-10008,COc1cncc(CCOc2cncc3nnc(-c4cccc(-c5cc(=O)n(C)cn5)c4)n23)c1,MKRHSUKHXZIACG-UHFFFAOYSA-N,2,1,0.495,15,438,455.478,2.577,5,0.368,0.75,1.0,0.35388253032691386,0.12459735453361662,0.352306216160647,0.23206942635871428,0.2657138818449729
EOS-2-10009,Cc1cc(-c2csc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)n2)no1,LWZKXDNZKNZWLE-UHFFFAOYSA-N,2,1,0.338,32,126,455.478,5.079,6,0.366,0.6,1.0,0.2022051264478103,0.3885957096840518,0.41487046809677197,0.4622626961825783,0.3669835001028031
EOS-2-10010,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2F)o1,GCMJJUMRTDBVLV-UHFFFAOYSA-N,2,1,0.333,32,20,455.478,5.079,6,0.366,0.67,1.0,0.3377424439723117,0.45241929956822696,0.630003084092934,0.5936793228702625,0.5034610376259337
EOS-2-10011,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)c5F)n34)s2)n1,OJNWDSQTTSAUFV-UHFFFAOYSA-N,2,1,0.267,76,541,455.478,5.079,6,0.366,0.51,0.997,0.297323692687273,0.364659721746282,0.5037780138441506,0.5090209718319512,0.4186956000274142
EOS-2-10012,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2)cs1,SZTXOQOZAFBZSV-UHFFFAOYSA-N,2,1,0.329,9,152,455.478,5.079,6,0.366,0.77,1.0,0.3129583304776917,0.4123603591254883,0.6270817627304502,0.6056216160646974,0.48950551709958195
EOS-2-10013,COc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(OC)c4)n23)n1,ZKQWQWDAECQJSA-UHFFFAOYSA-N,2,1,0.484,15,777,455.478,3.282,5,0.348,0.69,1.0,0.47551572887396343,0.24988862997738331,0.2242649578507299,0.11905455417723254,0.2671809677198273
EOS-2-10014,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cc(F)c(-c6ccsc6)cn5)n34)cn2)o1,TVZLLULVRSBMKF-UHFFFAOYSA-N,2,1,0.32,42,392,455.478,5.079,6,0.366,0.64,0.989,0.2947364813926393,0.36967993968884927,0.5843585086697279,0.5750376944691933,0.45595315605510245
EOS-2-10015,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ccco5)s4)n23)c(-c2cccnc2F)n1,MLQORBFOBBAQAK-UHFFFAOYSA-N,2,1,0.261,76,368,455.478,5.079,6,0.342,0.62,0.889,0.232412103351381,0.29126687684188884,0.4148790350215886,0.43395757658830786,0.3431288979507916
EOS-2-10016,Cc1ncc(-c2csc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cn5)n34)n2)o1,STQIOOVAWQIHPI-UHFFFAOYSA-N,2,1,0.309,32,20,455.478,5.079,6,0.366,0.71,1.0,0.22980775820711397,0.4214670002056062,0.45173394558289354,0.49261531080803234,0.39890600370091145
EOS-2-10017,Cc1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)s2)no1,NYZDVWJTBVKZHQ-UHFFFAOYSA-N,2,1,0.321,64,176,455.478,5.079,6,0.366,0.7,0.604,0.24618771845658283,0.35028442190391335,0.3861455691864848,0.4557946679459941,0.3596030943732438
EOS-2-10018,FCc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncco5)s4)n23)c1,AZXYUQDXGKNTAH-UHFFFAOYSA-N,2,1,0.289,76,176,455.478,5.101,6,0.357,0.68,1.0,0.24333493249263244,0.27034644643958605,0.36363169076828183,0.40484716606127064,0.32054005894044274
EOS-2-10019,COc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5csc(C)n5)c4)n23)c1,SNDMOGSQZWPACC-UHFFFAOYSA-N,2,1,0.544,15,684,444.52,4.248,5,0.371,0.83,0.999,0.5759714892742102,0.37442601603728326,0.3408693715303954,0.21743711877184566,0.3771759989034336
EOS-2-10020,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6F)s5)n34)cc2)nn1,KUQJCDUHFHNUMD-UHFFFAOYSA-N,2,1,0.308,38,725,455.482,3.911,6,0.372,0.62,0.976,0.06964909875950928,0.2244020286477966,0.329997943938044,0.3479713522034131,0.24300510588719076
EOS-2-10021,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5csnn5)nc4)n23)c1-c1ccc(F)cc1,SLWFLBDUVFIJRU-UHFFFAOYSA-N,2,1,0.35,98,572,455.482,3.911,6,0.397,0.63,1.0,0.07980947159207731,0.2550116510177507,0.3750171338496333,0.4527876773353437,0.29065648344870126
EOS-2-10022,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4F)n23)nc1,CFEJYWPNWMGVDR-UHFFFAOYSA-N,2,1,0.321,38,314,455.482,3.911,6,0.397,0.71,1.0,0.17978548420259063,0.3062846960455075,0.3339130285792612,0.3674782400109657,0.29686536220958126
EOS-2-10023,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5F)s4)n23)cc1,FTWJTOGRHMCGIC-UHFFFAOYSA-N,2,1,0.321,38,42,455.482,3.911,6,0.372,0.64,1.0,0.16036426564320472,0.244971215132616,0.22427352477554657,0.27050065108628607,0.22502741415941332
EOS-2-10024,Cn1nncc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)s1,WQRXSVMWBKBBTH-UHFFFAOYSA-N,2,1,0.397,3,74,455.482,3.911,6,0.397,0.68,0.983,0.18553389075457474,0.3886042766088685,0.24240970461243233,0.3863940100061682,0.30073547049551097
EOS-2-10025,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)nc1,UXRZOFPJRVHJAD-UHFFFAOYSA-N,2,1,0.338,98,572,455.482,3.911,6,0.397,0.65,1.0,0.0984425330683298,0.24497978205743268,0.48314885888561443,0.4895911863477486,0.32904059008978137
EOS-2-10026,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncs5)n4)n23)cc1F,HKUIWRAGRLZVJO-UHFFFAOYSA-N,2,1,0.337,98,314,455.482,3.911,6,0.397,0.59,1.0,0.22981632513193065,0.3404752929888287,0.34087793845521214,0.380157288739634,0.32283171132890137
EOS-2-10027,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)s1,ULUQSDGSXLJVQG-UHFFFAOYSA-N,2,1,0.329,9,537,455.482,4.209,6,0.424,0.64,1.0,0.23242067027619764,0.35029298882873006,0.37895791926530054,0.4048557329860873,0.34163182783907886
EOS-2-10028,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)nc4)n23)c(F)c1,CHVZPQVUISVSIO-UHFFFAOYSA-N,2,1,0.313,42,42,455.482,3.911,6,0.397,0.61,1.0,0.14960420807346994,0.2650949215269687,0.422503598108423,0.43694743334932495,0.3185375402645466
EOS-2-10029,Cn1nnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)s2)n1,QJZSKCXWPQSSRH-UHFFFAOYSA-N,2,1,0.366,25,774,455.482,3.911,6,0.397,0.63,1.0,0.09845109999314645,0.2963984648070728,0.21721437872661228,0.35111541361113013,0.24079483928449041
EOS-2-10030,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2F)cs1,LWNJQMFXYFVPEI-UHFFFAOYSA-N,2,1,0.314,38,154,455.482,4.209,6,0.424,0.71,1.0,0.24086765814543212,0.3744345829620999,0.41488760194640534,0.4116407374408882,0.36045764512370637
EOS-2-10031,CCn1cc(-c2ncc(Oc3cncc4nnc(-c5ccc(C(=O)N(C)C)cc5)n34)cn2)cn1,VUKUQJHZVTYQLB-UHFFFAOYSA-N,2,1,0.457,92,388,455.482,2.959,5,0.384,0.74,1.0,0.31792714687135903,0.1905712425467754,0.07855013364402715,0.020963265026386128,0.15200294702213693
EOS-2-10032,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cn2)cs1,JHNUKAOTYUFDFY-UHFFFAOYSA-N,2,1,0.315,32,154,455.482,4.209,6,0.424,0.73,1.0,0.23242923720101433,0.3600335823452813,0.41116098965115483,0.4083167706120211,0.3529851449523679
EOS-2-10033,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4cccnc4OC)n23)ncn1,HHJACXSGXZCDRK-UHFFFAOYSA-N,2,1,0.379,31,113,455.482,2.892,5,0.361,0.57,0.634,0.28085806318963746,0.06085943389760812,0.06369508601192515,0.022548146117469674,0.1069901823041601
EOS-2-10034,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)nc2)s1,IOKKJARLFGJSCE-UHFFFAOYSA-N,2,1,0.305,10,673,455.482,4.005,6,0.396,0.67,0.709,0.0012250702487834966,0.11457405249811528,0.29328867109862244,0.3511239805359468,0.190052943595367
EOS-2-10035,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)c(F)c2)nn1,OTHKJEDYGIQMRF-UHFFFAOYSA-N,2,1,0.329,9,340,455.482,3.911,6,0.397,0.68,1.0,0.13042286340895073,0.2703550133644027,0.472765746007813,0.4895997532725653,0.3407858440134329
EOS-2-10036,COc1cccnc1CCCOc1cncc2nnc(-c3ccc(-c4ncnc(C)n4)nc3)n12,PWLYHGSUXGHTEP-UHFFFAOYSA-N,2,1,0.417,65,986,455.482,2.762,5,0.322,0.62,1.0,0.40548968542252073,0.3307604002467274,0.04351997806867247,0.0217685559591529,0.2003846549242684
EOS-2-10037,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncs6)c(F)c5)n34)ccn2)nn1,YISRCNYNLBKARO-UHFFFAOYSA-N,2,1,0.321,42,693,455.482,3.911,6,0.397,0.68,1.0,0.1304314303337674,0.24498834898224933,0.4621855938592283,0.48369714207388115,0.33032562881228156
EOS-2-10038,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nn2)cc1F,HPIQNUQQVULQQF-UHFFFAOYSA-N,2,1,0.342,38,270,455.482,3.911,6,0.397,0.63,1.0,0.10856863820163114,0.25988623123843463,0.34457028305119597,0.3704509629223494,0.2708690288534028
EOS-2-10039,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)nc5)n34)cc2F)n[nH]1,BLPDGFKCAXDHOF-UHFFFAOYSA-N,2,1,0.307,38,693,455.482,4.209,6,0.424,0.61,0.981,0.16861421424165582,0.3012045096292235,0.49325783016928243,0.5058597765746008,0.3672340826536906
EOS-2-10040,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)nn4)n23)s1,GSZKTVKEZSTWFV-UHFFFAOYSA-N,2,1,0.321,3,541,455.482,4.209,6,0.424,0.58,0.664,0.15771708587485436,0.36004214927009803,0.21722294565142897,0.3101740799122747,0.261289065177164
EOS-2-10041,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)c(F)c1,IUJFQMCGYKJEGY-UHFFFAOYSA-N,2,1,0.342,9,642,455.482,3.911,6,0.397,0.75,1.0,0.11090740867658146,0.244996915907066,0.46219416078404496,0.4987749297512165,0.32921835377972725
EOS-2-10042,Cc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c(=O)c5)c(C)n4)n23)n1,PHSCNOLBUUGHAR-UHFFFAOYSA-N,2,1,0.373,31,690,455.482,1.975,5,0.378,0.57,0.999,0.24619628538139948,0.06495442395997533,0.05784387636214105,0.03493591940237133,0.1009826262764718
EOS-2-10043,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)c(F)c2)n[nH]1,XULYYCBBAFKEDA-UHFFFAOYSA-N,2,1,0.313,9,340,455.482,4.209,6,0.424,0.71,1.0,0.14646871359056954,0.3114248509355082,0.4409224864642588,0.4684565828250291,0.34181815845384145
EOS-2-10044,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4scnc4-c4ccc(F)cc4)n23)nc1,RYRRNMQBVQINQA-UHFFFAOYSA-N,2,1,0.351,32,750,455.482,3.911,6,0.397,0.68,1.0,0.1883952436433418,0.30629326297032416,0.23888869851278186,0.31910081557124254,0.26316950517442256
EOS-2-10045,Cc1nc(-c2cnccc2F)c(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)s1,ZJKBLBUQODSVLL-UHFFFAOYSA-N,2,1,0.292,42,7,455.482,4.209,6,0.424,0.57,1.0,0.155018504557604,0.31143341786032486,0.27516962511137,0.34467308614899594,0.2715736584195737
EOS-2-10046,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)c(F)c4)n23)nc1,XOCQJYBRWVUCCW-UHFFFAOYSA-N,2,1,0.333,38,314,455.482,3.911,6,0.397,0.68,1.0,0.21323932561167844,0.3114419847851415,0.39731683914741966,0.4306764443835241,0.33816864848194095
EOS-2-10047,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cc5F)n34)nn2)cs1,PDYSLVIGFRIJGH-UHFFFAOYSA-N,2,1,0.256,76,541,455.482,4.209,6,0.424,0.69,0.869,0.1855424576793914,0.29640703173188954,0.3636402576930985,0.40832533753683775,0.3134787711603043
EOS-2-10048,Cc1nn(-c2ncccc2C#N)cc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,YJYOSTZRUZZEIT-UHFFFAOYSA-N,2,1,0.308,38,787,455.485,4.281,6,0.39,0.64,1.0,0.019378383935302584,0.08275649372901103,0.44093105338907546,0.45911006785004455,0.2505439997258584
EOS-2-10049,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(C#N)nn6)cc5)n34)cc2)cn1,FAOUUVSPDOOHSY-UHFFFAOYSA-N,2,1,0.321,9,98,455.485,4.187,6,0.392,0.72,1.0,0.14096018093345214,0.1614094304708382,0.6976132547460764,0.6612295250496881,0.41530309780001373
EOS-2-10050,Cn1nc(-c2cccc(C#N)c2)nc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,RHCVMXTUYWBICH-UHFFFAOYSA-N,2,1,0.345,9,787,455.485,4.187,6,0.392,0.75,1.0,0.08883901034884518,0.16141799739565485,0.414896168871222,0.4775289562058803,0.2856705332054006
EOS-2-10051,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(C#N)cc4)cc3)n12,NPHXXRJTPLVOOO-UHFFFAOYSA-N,2,1,0.408,9,774,455.485,4.187,6,0.392,0.75,1.0,0.15502707148242068,0.1905798094715921,0.4831574258104311,0.5781560551024604,0.3517300904667261
EOS-2-10052,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(C#N)c5)cc4)n23)nn1,OYDIUVSVOURVOE-UHFFFAOYSA-N,2,1,0.362,93,74,455.485,4.187,6,0.392,0.77,1.0,0.16607840449592215,0.17796072921664038,0.6361455691864848,0.6499725858405867,0.4075393221849085
EOS-2-10053,Cn1c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)cc2)cnc1C#N,UGWIUOQZBXSOEY-UHFFFAOYSA-N,2,1,0.326,42,339,455.485,4.187,6,0.392,0.75,1.0,0.18271537248989103,0.1348947981632513,0.5906808991844288,0.562204441093825,0.367623877732849
EOS-2-10054,Cc1ncccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cncc(C#N)c5)c4)n23)cc1,BGSDWFISJUWYPD-UHFFFAOYSA-N,2,1,0.29,42,150,455.485,4.281,6,0.39,0.68,1.0,0.01090569529161812,0.09560688095401275,0.707807895277911,0.6669693646768556,0.3703224590500994
EOS-2-10055,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(C#N)c5)cn4)n23)nc1,DRKGCVBNZKTNAJ-UHFFFAOYSA-N,2,1,0.299,32,301,455.485,4.187,6,0.392,0.73,1.0,0.07356418340072647,0.09860530463984649,0.6538020012336372,0.6382701665410184,0.3660604139538072
EOS-2-10056,CCOc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1cccnc1,AADMMZZYBQLUHL-UHFFFAOYSA-N,2,1,0.635,91,955,455.493,5.013,5,0.327,0.71,1.0,0.9374957165375917,0.8877218833527517,0.819811870331026,0.752373038174217,0.8493506270988966
EOS-2-10057,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2)no1,ACKWNBJNNMQLMJ-UHFFFAOYSA-N,2,1,0.306,38,865,444.505,4.397,6,0.394,0.68,1.0,0.127501542046467,0.16142656432047153,0.13599993146460146,0.15359639503803715,0.14463110821739428
EOS-2-10058,Cc1noc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccsc6)s5)n34)cc2)n1,CEIHWUQFCKPJJR-UHFFFAOYSA-N,2,1,0.311,38,725,444.505,4.397,6,0.394,0.63,1.0,0.16037283256802137,0.17796929614145707,0.07628846549242684,0.094955794667946,0.12739659721746283
EOS-2-10059,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cnn(CC2CC2)c1,FVWTXRRIEQKVRB-UHFFFAOYSA-N,2,1,0.557,35,545,455.497,4.22,6,0.348,0.63,1.0,0.5103317113289014,0.487620793639915,0.30778390788842436,0.4745305325200466,0.44506673634432187
EOS-2-10060,CCc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)n[nH]1,FLRADYSIUZYJRI-UHFFFAOYSA-N,2,1,0.333,93,220,444.502,4.868,6,0.407,0.69,1.0,0.11921732574874923,0.12813549448290043,0.36726406689054897,0.3927506682201357,0.25184188883558356
EOS-2-10061,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cc5)n34)cc2)cn1,SJAZFEXXKPUNOQ-UHFFFAOYSA-N,2,1,0.333,9,645,444.502,4.624,6,0.394,0.75,1.0,0.08884757727366184,0.06853539853334246,0.6649561373449386,0.5905609622369954,0.35322501884723456
EOS-2-10062,CCn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)cc1,QZULUCWTMVAASX-UHFFFAOYSA-N,2,1,0.303,42,762,444.502,4.799,6,0.38,0.71,1.0,0.1767356589678569,0.07934685765197724,0.4932663970940991,0.45580323487081076,0.301288037146186
EOS-2-10063,CCn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nc2)cn1,SPOFNHFPFKGXPF-UHFFFAOYSA-N,2,1,0.304,30,371,444.502,4.799,6,0.38,0.66,1.0,0.09141765471866219,0.053217736961140426,0.3935045576040025,0.4019686793228703,0.23502715715166883
EOS-2-10064,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cn(C)nn6)c5)n34)cc2)cn1,URMRYZCMGFDMBI-UHFFFAOYSA-N,2,1,0.31,9,764,444.502,4.624,6,0.394,0.82,1.0,0.03980193269823864,0.038499760126105134,0.5972003289699129,0.5622130080186416,0.30942875745322457
EOS-2-10065,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)c5)n34)cc2)n1,BTUPCJDBCNUCPY-UHFFFAOYSA-N,2,1,0.312,9,598,444.502,4.624,6,0.394,0.73,1.0,0.09845966691796312,0.035509903365088066,0.48316599273524774,0.4652439860187787,0.2705948872592694
EOS-2-10066,Cn1[nH]cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cc2)c1=N,SETYCKDYQFCRQQ-UHFFFAOYSA-N,2,1,0.292,93,737,444.502,4.333,6,0.423,0.69,1.0,0.017605030498252346,0.014024055924885204,0.57502056061956,0.5654513055993421,0.2930252381605099
EOS-2-10067,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)cc2)n1,IYYCLOHCOQFQAP-UHFFFAOYSA-N,2,1,0.312,38,532,444.502,4.624,6,0.394,0.72,1.0,0.11672435062709889,0.053226303885957095,0.46570659995887875,0.4116493043657049,0.2618266397094099
EOS-2-10068,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cc2)cn1,JSFAKUMZDUHHKA-UHFFFAOYSA-N,2,1,0.329,9,867,444.502,4.624,6,0.394,0.69,1.0,0.15237132478925364,0.05704715235419094,0.5313206771297375,0.46525255294359535,0.30149792680419435
EOS-2-10069,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccc6C)c5)n34)cc2)n1,QCZLMOAJASJTBE-UHFFFAOYSA-N,2,1,0.291,9,150,444.502,4.718,6,0.391,0.75,1.0,0.0023901720238503187,0.0422606401206223,0.42957131108217395,0.38640257693098484,0.21515617503940787
EOS-2-10070,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cn2)n1C,JXBYBNSBODUUFX-UHFFFAOYSA-N,2,1,0.315,30,945,444.502,4.624,6,0.394,0.75,1.0,0.1739685422520732,0.07239051470084298,0.41490473579603865,0.39893598793776985,0.2650499451716812
EOS-2-10071,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cc5)n34)cc2)cn1,PHPRRTZSWGNXJF-UHFFFAOYSA-N,2,1,0.306,9,98,444.502,4.624,6,0.394,0.75,1.0,0.07163662531697622,0.07581728462751011,0.6270903296552669,0.5557963813309574,0.3325851552326777
EOS-2-10072,Cc1ccc(-c2cn(C)nn2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,XKSRAXYWFWKPMX-UHFFFAOYSA-N,2,1,0.298,30,737,444.502,4.624,6,0.394,0.77,1.0,0.024527105750119935,0.014032622849701871,0.514520937564252,0.522436776094853,0.2688793605647317
EOS-2-10073,Cc1c(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)c(-c2ccccc2)nn1C,RYWRCAPXTIWKPI-UHFFFAOYSA-N,2,1,0.309,30,945,444.502,4.624,6,0.394,0.71,1.0,0.016585566445068877,0.029573024467137277,0.28261428277705436,0.32849873209512714,0.16431790144609693
EOS-2-10074,Cc1c(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c(-c2ccccc2)nn1C,CTNCTPPKHFTOSX-UHFFFAOYSA-N,2,1,0.377,9,50,444.502,4.624,6,0.394,0.71,1.0,0.03676067438832157,0.03252861352888767,0.3445788499760126,0.37045952984716607,0.19608191693509697
EOS-2-10075,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)n1C,ROMUICPJZMCBJN-UHFFFAOYSA-N,2,1,0.33,38,787,444.502,4.624,6,0.394,0.77,1.0,0.1464772805153862,0.09231718182441231,0.4694246453293126,0.4242855184702899,0.28312615653485024
EOS-2-10076,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccccc5)n34)cc2)cn1,PTAMVMBUQDBGLQ-UHFFFAOYSA-N,2,1,0.347,9,625,444.502,4.624,6,0.394,0.7,1.0,0.034053526146254544,0.03253718045370434,0.4587245562332945,0.44649098759509287,0.24295156260708656
EOS-2-10077,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cc5)n34)cc2)nn1,VSDVCSAAVCKBCP-UHFFFAOYSA-N,2,1,0.306,9,98,444.502,4.624,6,0.394,0.8,1.0,0.06563121102049209,0.07935542457679391,0.615584949626482,0.5590603796861079,0.32990799122746894
EOS-2-10078,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)n1C,SNRCYLMDXPSORB-UHFFFAOYSA-N,2,1,0.284,30,945,444.502,4.624,6,0.394,0.77,1.0,0.04561030772393942,0.022419642245219657,0.2565708313343842,0.31018264683709135,0.15869585703515865
EOS-2-10079,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cn(C)nn5)c4)n23)cc1,QVTCAZLJTFTYFP-UHFFFAOYSA-N,2,1,0.304,9,764,444.502,4.624,6,0.394,0.76,1.0,0.03825988623123844,0.053234870810773764,0.5181875813857858,0.48960832019738193,0.274822664656295
EOS-2-10080,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)c(-c2ccccc2)n1,IUBKCVRJXSPAGL-UHFFFAOYSA-N,2,1,0.315,30,371,444.502,4.624,6,0.394,0.66,1.0,0.07747070111712699,0.06854396545815913,0.4186142142416558,0.3989445548625865,0.24089335891988212
EOS-2-10081,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cc2)n1,KVZUBPLAHKRDBL-UHFFFAOYSA-N,2,1,0.338,9,98,444.502,4.624,6,0.394,0.77,1.0,0.08193406894661093,0.049362620793639914,0.4932749640189158,0.45581180179562747,0.2700958638886985
EOS-2-10082,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cn5)n34)cc2)n1,QFTWKYKIULEDRK-UHFFFAOYSA-N,2,1,0.312,38,532,444.502,4.624,6,0.394,0.72,1.0,0.13836440271400177,0.0685525323829758,0.46943321225412926,0.41477623192378865,0.2727815948187239
EOS-2-10083,Cc1ncccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nncn5C)c4)n23)cc1,ZMLWIPDGSWIXJI-UHFFFAOYSA-N,2,1,0.308,9,98,444.502,4.624,6,0.394,0.74,1.0,0.07747926804194366,0.032545747378521006,0.5212117058460695,0.49575937221574945,0.2817490233705709
EOS-2-10084,COc1cc(-c2nnc3cncc(OCCc4c(C)cnn4C)n23)ccc1-c1cn(C)cn1,RAMFONNVCDZQFO-UHFFFAOYSA-N,2,1,0.478,15,771,444.499,2.864,5,0.381,0.67,1.0,0.29990233705708996,0.20435542457679393,0.1513175930368035,0.06732746213419231,0.18072570420121992
EOS-2-10085,COc1cc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)ccc1-c1cnc(C)n1C,FVRYSYXKQUIXGX-UHFFFAOYSA-N,2,1,0.511,15,460,444.499,2.864,5,0.381,0.62,1.0,0.31545987252415875,0.1614351312452882,0.2209409910218628,0.09300253580974574,0.19770963265026387
EOS-2-10086,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cc2)cc1,SDIZYKGUQJCSLI-UHFFFAOYSA-N,2,1,0.584,12,47,444.498,5.223,6,0.352,0.78,1.0,0.5128246864505517,0.369688506613666,0.7937855527379891,0.77496401891577,0.6128156911794942
EOS-2-10087,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cc2)cc1,BYKHHFBPIWPMKC-UHFFFAOYSA-N,2,1,0.573,12,285,444.498,5.223,6,0.352,0.72,1.0,0.4375214173120417,0.39813926392981974,0.7602289082311013,0.7421184291686657,0.5845020046604071
EOS-2-10088,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,CUYZGWJELOEDJJ-UHFFFAOYSA-N,2,1,0.422,12,285,444.498,5.651,6,0.344,0.8,1.0,0.5385939962990884,0.412368926050305,0.7917294907819888,0.7523816050990336,0.623768504557604
EOS-2-10089,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cc5)n34)cc2)cc1,RCAUUBMHWIDWCH-UHFFFAOYSA-N,2,1,0.562,12,285,444.498,5.223,6,0.352,0.77,1.0,0.6357086560208347,0.4029453087519704,0.8327222260297443,0.8045541772325406,0.6689825920087725
EOS-2-10090,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cc1,NPASMNNKIXQBHZ-UHFFFAOYSA-N,2,1,0.421,93,68,444.498,5.32,6,0.36,0.8,1.0,0.04857446371050648,0.09861387156466316,0.8044085395106573,0.7653519292714687,0.4292372010143239
EOS-2-10091,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cc2)c1,CWPNXAMDKITNBJ-UHFFFAOYSA-N,2,1,0.538,77,603,444.498,5.223,6,0.352,0.72,1.0,0.5619560002741416,0.43938043999725857,0.8424970872455624,0.8087519703927079,0.6631463744774176
EOS-2-10092,c1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)cc1,ISYJIFFKIVCNLL-UHFFFAOYSA-N,2,1,0.524,12,47,444.498,5.427,6,0.371,0.77,1.0,0.7301504351997807,0.5565845384140908,0.8376739085737783,0.8293725584264272,0.7384453601535192
EOS-2-10093,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,LKTACVNWYNVRAR-UHFFFAOYSA-N,2,1,0.597,21,285,444.498,5.651,6,0.344,0.75,1.0,0.587451168528545,0.3600507161949147,0.7512936056473168,0.7284798848605305,0.6068188438078268
EOS-2-10094,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)o5)n34)c2)cn1,MKKFUYNSPCHKSJ-UHFFFAOYSA-N,2,1,0.394,6,549,455.503,4.487,6,0.365,0.7,1.0,0.322673223219793,0.22441059557261325,0.47587553971626345,0.389906449181002,0.35321645192241796
EOS-2-10095,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccsc6)o5)n34)cc2)n[nH]1,YXKGYVDCHJGJKM-UHFFFAOYSA-N,2,1,0.489,40,25,455.503,4.785,6,0.385,0.53,1.0,0.4877835652114317,0.4743763278733466,0.4079997943938044,0.3382564594613118,0.4271040367349736
EOS-2-10096,COc1cc(-c2nnc3cncc(OCc4ccc(C#N)cc4)n23)ccc1-c1nc(C)ns1,BTRPUSHUNOYBBD-UHFFFAOYSA-N,2,1,0.5,89,230,455.503,4.078,5,0.377,0.74,1.0,0.5004026454663834,0.46139743677609485,0.5145295044890686,0.39574052498115275,0.46801752792817486
EOS-2-10097,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5csc(F)c5)cn4)n23)cc1,ZLCDUFUJEQWCGY-UHFFFAOYSA-N,2,1,0.366,62,139,444.495,4.471,5,0.432,0.86,1.0,0.15237989171407032,0.19058837639640874,0.5615533548077583,0.47753752313069703,0.3455147865122336
EOS-2-10098,CN=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCCc5cc(C#N)ccn5)n34)c2)s1,PWLFNIGSGSFCIT-UHFFFAOYSA-N,2,1,0.47,15,561,455.507,2.662,5,0.416,0.5,0.485,0.5564046329929409,0.407545747378521,0.19997772599547667,0.1563549448290042,0.3300707627989857
EOS-2-10099,Cc1nnc(-c2nc(C)n(C)c2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)s1,YDPWVBOGFXZLNN-UHFFFAOYSA-N,2,1,0.253,98,424,455.507,3.982,6,0.392,0.55,0.636,0.06396066068124186,0.035518470289904736,0.026651703104653552,0.038020012336371735,0.04103771160304297
EOS-2-10100,OCc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cc1,PXWJONIENLNXDV-UHFFFAOYSA-N,2,1,0.365,21,810,455.521,5.68,6,0.362,0.83,1.0,0.24620485230621617,0.25989479816325134,0.9005123021040368,0.8941299431156192,0.5751854739222809
EOS-2-10101,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)c2)cc1,VZIDIVYLHSLOAA-UHFFFAOYSA-N,2,1,0.577,21,47,455.521,6.099,6,0.304,0.77,1.0,0.7628332533753683,0.5520183674868069,0.8818192721540675,0.8789065177164005,0.7688943526831609
EOS-2-10102,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)nc2)cc1,QLRXXICPFRXNET-UHFFFAOYSA-N,2,1,0.482,21,47,455.521,6.099,6,0.304,0.78,1.0,0.5203807141388527,0.38861284353368514,0.8147231169899253,0.8313857857583442,0.6387756151052019
EOS-2-10103,Cc1cc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)c2)nnc1C,REBOAAVYXBZQLT-UHFFFAOYSA-N,2,1,0.308,30,220,455.525,5.594,6,0.344,0.56,1.0,0.07357275032554314,0.04937118771845658,0.507401823041601,0.5160972517305188,0.28661075320402984
EOS-2-10104,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccc(C)n6)cc5)n34)cc2)nn1,VPCLMGOXHFZBPB-UHFFFAOYSA-N,2,1,0.324,69,898,455.525,5.594,6,0.344,0.78,1.0,0.15238845863888698,0.11458261942293195,0.6597131793571379,0.6088085120964979,0.3838731923788637
EOS-2-10105,Cc1nc(-c2ccccn2)cc(-c2cncc3nnc(-c4ccc(-c5ccccc5C)cc4)n23)n1,MWRGAYNZZZJCHC-UHFFFAOYSA-N,2,1,0.326,93,651,455.525,5.594,6,0.344,0.61,1.0,0.14648584744020288,0.1017922006716469,0.5810773764649442,0.5687838393530258,0.34953481598245495
EOS-2-10106,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)cn6)cc5)n34)cc2)cn1,HGAQMSVREKFKLT-UHFFFAOYSA-N,2,1,0.316,69,645,455.525,5.594,6,0.344,0.77,1.0,0.13043999725858405,0.134903365088068,0.7312812692755808,0.6641594133369886,0.4151960112398053
EOS-2-10107,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6C)cc5)n34)nc2)cn1,SOPGSDVVKZDELY-UHFFFAOYSA-N,2,1,0.333,93,818,455.525,5.594,6,0.344,0.82,1.0,0.14386436844630252,0.12091357686244945,0.7210694948941128,0.6698649852648894,0.41392810636693855
EOS-2-10108,COC1CCC(n2cc(-c3cncc4nnc(-c5cncc(-c6ccn(C)n6)c5)n34)cn2)CC1,GPKDUFPLVBVFCT-UHFFFAOYSA-N,2,1,0.242,92,974,455.526,3.58,6,0.399,0.6,1.0,0.04701528339387293,0.016868274964018916,0.046895346446439584,0.12790418751285038,0.059670773079295455
EOS-2-10109,CCc1nc(-c2nnc3cncc(OCCc4cn(C)nc4C)n23)ccc1-c1cnc(C)nc1,ZQEQZJBHFWXRCZ-UHFFFAOYSA-N,2,1,0.422,31,690,455.526,3.178,5,0.368,0.64,0.999,0.19948084435610994,0.105039065177164,0.054134397916523885,0.024175861832636557,0.0957075423206086
EOS-2-10110,CC(C)n1nccc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,RNPPULFKLIQRIX-UHFFFAOYSA-N,2,1,0.475,65,349,444.474,3.786,5,0.353,0.69,1.0,0.432792474813241,0.36005928311973134,0.4409396203138921,0.31623089575765884,0.3875055685011308
EOS-2-10111,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)c(C)n1,KXNVPLBCHMFVRX-UHFFFAOYSA-N,2,1,0.505,75,329,444.474,3.534,5,0.379,0.63,1.0,0.4606521143170448,0.37444314988691657,0.2279658693715304,0.1915821396751422,0.3136608183126585
EOS-2-10112,Cc1cc(COc2cncc3nnc(-c4c(-c5ccc(F)cc5)nn(C)c4C)n23)nnc1C,GATRSFWTDXXQQP-UHFFFAOYSA-N,2,1,0.483,36,677,444.474,3.625,5,0.408,0.65,1.0,0.2999109039819067,0.35518470289904736,0.14511513946953603,0.13440648344870126,0.23365430744979782
EOS-2-10113,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccn2)c(C)n1,QKVSAHRCUCMIJT-UHFFFAOYSA-N,2,1,0.517,75,329,444.474,3.534,5,0.354,0.71,1.0,0.4562658488109108,0.3404838599136454,0.2751781920361867,0.21485847440202865,0.32169659379069293
EOS-2-10114,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)c(C)n1,DDMKJEPJRSFJON-UHFFFAOYSA-N,2,1,0.447,92,606,444.474,3.8,5,0.393,0.64,1.0,0.3586286066753478,0.3063018298951408,0.32266465629497637,0.2202213693372627,0.30195411555068197
EOS-2-10115,CCc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)nn1C,ZYQWLPLEYSYQOR-UHFFFAOYSA-N,2,1,0.49,65,904,444.474,3.305,5,0.38,0.56,1.0,0.395063737920636,0.41708073469947227,0.3408865053800288,0.2733020355013364,0.3565832533753684
EOS-2-10116,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c(C)n1,QHDISMHIMRSXII-UHFFFAOYSA-N,2,1,0.484,65,349,444.474,3.534,5,0.379,0.68,1.0,0.3792748954835172,0.3355921458433281,0.3560842300047975,0.282391542731821,0.33833570351586595
EOS-2-10117,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)c(C)n1,HHEAHLKXMOOCKD-UHFFFAOYSA-N,2,1,0.539,75,329,444.474,3.534,5,0.379,0.66,1.0,0.434908505242958,0.31145055170995817,0.2970752518675896,0.2379977383318484,0.32035801178808854
EOS-2-10118,CN(C)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncnn5C)cc4)n23)c(F)c1,JLECCNHKGVGXDP-UHFFFAOYSA-N,2,1,0.547,43,250,444.474,3.371,5,0.397,0.77,1.0,0.4144592557055719,0.2964155986567062,0.5517613597423069,0.33514666575286134,0.3994457199643615
EOS-2-10119,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ccc1-c1ccccn1,ZMJSEGJIAJJUIR-UHFFFAOYSA-N,2,1,0.34,69,737,444.473,5.721,6,0.348,0.8,1.0,0.2595264203961346,0.355193269823864,0.8523233500102803,0.8803200603111507,0.5868407751353575
EOS-2-10120,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)nc4)n23)cc1,MQRUYAYZEVTYTE-UHFFFAOYSA-N,2,1,0.418,93,107,444.473,5.721,6,0.348,0.81,1.0,0.3377510108971284,0.5062024535672675,0.8567096155164142,0.8816479336577342,0.6455777534096361
EOS-2-10121,Fc1cccc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)c2)c1,ORLDWVFABRAVPR-UHFFFAOYSA-N,2,1,0.367,21,107,444.473,5.721,6,0.348,0.73,1.0,0.23810910835446508,0.3981478308546364,0.8456068809540127,0.8927592351449524,0.5936557638270167
EOS-2-10122,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)nc1,WMNLXKAEOVXHKT-UHFFFAOYSA-N,2,1,0.371,69,695,444.473,5.721,6,0.348,0.75,1.0,0.3494448632718799,0.4568569666232609,0.8753169762182167,0.8845435542457679,0.6415405900897814
EOS-2-10123,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)c1,QKJOEAHIQDNTKO-UHFFFAOYSA-N,2,1,0.425,69,30,444.473,5.721,6,0.348,0.83,1.0,0.29991947090672333,0.4524278664930437,0.8972911383729696,0.9143907203070386,0.6410072990199438
EOS-2-10124,Fc1cccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,JPUVIRLMYSNZAV-UHFFFAOYSA-N,2,1,0.432,93,107,444.473,5.721,6,0.348,0.77,1.0,0.31793571379617575,0.48762936056473166,0.8273164964704269,0.8671441299431156,0.6250064251936125
EOS-2-10125,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)cn1,ABVDUMKHHJWNRN-UHFFFAOYSA-N,2,1,0.356,69,958,444.473,5.721,6,0.325,0.79,1.0,0.2918579946542389,0.435139812213008,0.8972997052977864,0.9019087108491536,0.6315515557535467
EOS-2-10126,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)c1,HCQCZIOATTWHCY-UHFFFAOYSA-N,2,1,0.329,69,958,444.473,5.721,6,0.348,0.78,1.0,0.33054622712631077,0.4482386402576931,0.894729627852786,0.9065948187238709,0.6450273284901652
EOS-2-10127,Fc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,STAMQRLMHPRBJX-UHFFFAOYSA-N,2,1,0.384,69,695,444.473,5.721,6,0.348,0.8,1.0,0.35154375985196357,0.45243643341786033,0.8507556027688301,0.8704252621478994,0.6312902645466383
EOS-2-10128,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)c1,HKYSTSYNPLFLIR-UHFFFAOYSA-N,2,1,0.386,93,651,444.473,5.721,6,0.348,0.82,1.0,0.3515523267767802,0.452445000342677,0.8841066410801178,0.9055325200466041,0.6484091220615448
EOS-2-10129,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c1,AWNHDCWXQSBXED-UHFFFAOYSA-N,2,1,0.387,93,93,444.473,5.721,6,0.348,0.81,1.0,0.2727794530875197,0.4214755671304229,0.852331916935097,0.8845521211705846,0.607784764580906
EOS-2-10130,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)ncc1-c1ccccc1,BZIFDJHDTPNAEF-UHFFFAOYSA-N,2,1,0.347,93,93,444.473,5.721,6,0.348,0.75,0.999,0.29992803783154,0.3981563977794531,0.8360975944075115,0.871933040915633,0.6015287677335344
EOS-2-10131,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)cc1,DNFBXGDHWRHNEW-UHFFFAOYSA-N,2,1,0.357,93,737,444.473,5.721,6,0.348,0.86,1.0,0.2565965321088342,0.4029538756767871,0.8567181824412309,0.8913371256253855,0.6019014289630594
EOS-2-10132,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4cnccc4-c4ccccc4)n23)nc1,VMOYPDGPNMVSCQ-UHFFFAOYSA-N,2,1,0.373,93,93,444.473,5.721,6,0.348,0.72,1.0,0.27519532588582,0.3931618806113358,0.8627921321362484,0.8982763347268864,0.6073564183400726
EOS-2-10133,Fc1ncccc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,ROBTUINDBWSTPN-UHFFFAOYSA-N,2,1,0.338,69,220,444.473,5.721,6,0.325,0.8,1.0,0.3075440339935577,0.40755431430333766,0.8656363511753821,0.8831557124254678,0.6159726029744363
EOS-2-10134,Fc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)c2)cn1,SDPHVZMGJOPZNR-UHFFFAOYSA-N,2,1,0.37,69,958,444.473,5.721,6,0.325,0.75,1.0,0.3353865396477281,0.4258275649372901,0.9184086080460558,0.9230347474470564,0.6506643650195326
EOS-2-10135,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)cc1,OVJFULDZNJCYKA-UHFFFAOYSA-N,2,1,0.37,93,93,444.473,5.721,6,0.348,0.85,0.999,0.28910801178808854,0.45245356726749364,0.8598194092248647,0.8886985127818519,0.6225198752655747
EOS-2-10136,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)nc1,PFBKRNCRYHVWHD-UHFFFAOYSA-N,2,1,0.412,21,810,444.473,5.721,6,0.348,0.81,1.0,0.3608474402028648,0.4258361318621068,0.837682475498595,0.865482146528682,0.6224620485230622
EOS-2-10137,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)cc2)n1,XKMZOXSSLWYVLL-UHFFFAOYSA-N,2,1,0.351,21,695,444.473,5.721,6,0.325,0.53,1.0,0.2727880200123364,0.36466828867109863,0.8024895483517237,0.8394044273867453,0.569837571105476
EOS-2-10138,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)cc1,GOPAEMROSVTMBZ-UHFFFAOYSA-N,2,1,0.397,69,479,444.473,5.721,6,0.348,0.84,1.0,0.29993660475635664,0.4876379274895484,0.8777671167157837,0.8941385100404359,0.6398700397505311
EOS-2-10139,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cn5)n34)cc2)nc1,IEQXCGRPUYIXOA-UHFFFAOYSA-N,2,1,0.375,93,651,444.473,5.721,6,0.348,0.76,1.0,0.3494534301966966,0.43514837913782467,0.8613443218422315,0.8816565005825509,0.631900657939826
EOS-2-10140,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)c1,VLZJVPLZGFNGLK-UHFFFAOYSA-N,2,1,0.405,69,958,444.473,5.721,6,0.348,0.79,1.0,0.3226817901446097,0.4921783976423823,0.9258189980124735,0.9372729764923583,0.669488040572956
EOS-2-10141,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cc3)n12,IQWYECOZLXVKFK-UHFFFAOYSA-N,2,1,0.384,21,107,444.473,5.721,6,0.348,0.81,1.0,0.34248852032074567,0.5016962511137002,0.912677335343705,0.9272154067575903,0.6710193783839353
EOS-2-10142,Fc1ccnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)c1,OJHUPLWYESZJHT-UHFFFAOYSA-N,2,1,0.342,69,695,444.473,5.721,6,0.348,0.81,1.0,0.32527756836406,0.41237749297512166,0.8725584264272497,0.8887070797066685,0.6247301418682749
EOS-2-10143,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cc1,SQNUKQCRJOEJFX-UHFFFAOYSA-N,2,1,0.386,69,695,444.473,5.721,6,0.348,0.8,1.0,0.24087622507024878,0.45246213419231035,0.8753255431430333,0.892767802069769,0.6153579261188403
EOS-2-10144,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)c1,LRUOYRSIBCBXAR-UHFFFAOYSA-N,2,1,0.37,93,737,444.473,5.721,6,0.348,0.83,1.0,0.20221369337262696,0.3744517168117333,0.8489565485573298,0.8887156466314852,0.5785844013432938
EOS-2-10145,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)c1,GECQLJKNSMTHIV-UHFFFAOYSA-N,2,1,0.366,69,695,444.473,5.721,6,0.348,0.76,1.0,0.3179442807209924,0.4393890069220753,0.8790864231375506,0.8913456925502021,0.6319413508327051
EOS-2-10146,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cc2)cn1,YVYYMTZOTDUAJH-UHFFFAOYSA-N,2,1,0.368,69,958,444.473,5.721,6,0.325,0.8,1.0,0.31025974916044136,0.43939757384689193,0.9175090809403057,0.9221009526420396,0.6473168391474197
EOS-2-10147,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,NCMQRPOQNMSISQ-UHFFFAOYSA-N,2,1,0.4,93,651,444.473,5.721,6,0.325,0.75,1.0,0.33539510657254473,0.452470701117127,0.8765591803166335,0.8913542594750189,0.638944811870331
EOS-2-10148,Fc1ccccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,PHOXSACPJQYMID-UHFFFAOYSA-N,2,1,0.406,93,107,444.473,5.721,6,0.348,0.81,1.0,0.33775957782194505,0.5196867932287026,0.8567267493660475,0.8927763689945857,0.6517373723528203
EOS-2-10149,Fc1cc(-c2cccnc2)ncc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,RHNXLOKNKCXBMB-UHFFFAOYSA-N,2,1,0.375,93,987,444.473,5.721,6,0.348,0.8,1.0,0.37227571790829966,0.4829946542389144,0.8818278390788843,0.9008207113974368,0.6594797306558838
EOS-2-10150,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)c1,NFPLNLCPRXGJOA-UHFFFAOYSA-N,2,1,0.375,93,651,444.473,5.721,6,0.348,0.81,1.0,0.34946199712151327,0.44824720718250977,0.8656449181001987,0.8899921184291687,0.6383365602083476
EOS-2-10151,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1,UMHFQVMUWICQOR-UHFFFAOYSA-N,2,1,0.384,69,695,444.473,5.721,6,0.348,0.78,1.0,0.25953498732095126,0.4614060037009115,0.8641457062572819,0.8873363717360017,0.6181057672537866
EOS-2-10152,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)cc5)n34)cc2)cn1,DLIUAJIMPOLJKE-UHFFFAOYSA-N,2,1,0.368,69,958,444.473,5.721,6,0.325,0.8,1.0,0.310268316085258,0.4394061407717086,0.9175176478651224,0.9221095195668563,0.6473254060722363
EOS-2-10153,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4ccccn4)cn3)n12,ZALTWICLKLJJEH-UHFFFAOYSA-N,2,1,0.373,93,651,444.473,5.721,6,0.348,0.77,1.0,0.3154684394489754,0.48764649441436503,0.8489651154821465,0.8760280309780001,0.6320270200808717
EOS-2-10154,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)cn5)n34)cc2)c1,UFHIPKGPQCCKGE-UHFFFAOYSA-N,2,1,0.425,69,987,444.473,5.721,6,0.348,0.83,1.0,0.2891165787129052,0.4655438283873621,0.897308272222603,0.9143992872318553,0.6415919916386814
EOS-2-10155,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)cn1,ORAZIKTXWOONJJ-UHFFFAOYSA-N,2,1,0.424,93,651,444.473,5.721,6,0.325,0.83,1.0,0.32528613528887673,0.44365533548077585,0.8865482146528683,0.9008292783222535,0.6390797409361936
EOS-2-10156,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCCOc4ccccc4)n23)cc1F,YJGKJMRKPVTCAV-UHFFFAOYSA-N,2,1,0.529,91,876,444.47,4.179,5,0.334,0.7,1.0,0.85001028030978,0.7524330066479337,0.5282023164964704,0.4957679391405661,0.6566033856486875
EOS-2-10157,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cncn4C)cc3F)n12,WYVQKTYPIWTAPC-UHFFFAOYSA-N,2,1,0.568,91,309,444.47,3.961,5,0.378,0.81,1.0,0.7085189500376945,0.6235521897059831,0.712913782468645,0.5814543211568776,0.6566098108423
EOS-2-10158,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccn(C)n4)c(F)c3)n12,SCZKYWOMTOQMPW-UHFFFAOYSA-N,2,1,0.586,91,309,444.47,3.961,5,0.378,0.79,1.0,0.7145329312589953,0.6966965937906929,0.6867932287026249,0.5523182098553903,0.6625852409019259
EOS-2-10159,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1cnn(C)c1,FKYNPBIKVYBKCW-UHFFFAOYSA-N,2,1,0.631,91,955,444.47,3.961,5,0.378,0.75,1.0,0.7239479816325132,0.6331214447262011,0.7578301692824344,0.6354430813515181,0.6875856692481667
EOS-2-10160,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1nccn1C,HTGNJQJURHNSJW-UHFFFAOYSA-N,2,1,0.624,91,313,444.47,3.961,5,0.378,0.77,1.0,0.8385563018298952,0.537985744637105,0.6511719553149201,0.5329912274689877,0.640176307312727
EOS-2-10161,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1cncn1C,XOJZRPAGCPGKDO-UHFFFAOYSA-N,2,1,0.609,91,313,444.47,3.961,5,0.378,0.78,1.0,0.8565382770200809,0.5565931053389076,0.7339455828935645,0.615070934137482,0.6905369748475088
EOS-2-10162,COc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4)n23)ccc1F,BFXSOWOTBMFANJ-UHFFFAOYSA-N,2,1,0.638,91,322,444.47,3.961,5,0.378,0.73,1.0,0.6813532314440408,0.7018281817558769,0.7896819957508053,0.6470084298540196,0.7049679597011856
EOS-2-10163,COc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4cnn(C)c4)cc3)n12,YYYSQIBSKZAYJD-UHFFFAOYSA-N,2,1,0.58,91,322,444.47,3.961,5,0.378,0.76,1.0,0.7054862586525941,0.6967051607155096,0.7578387362072511,0.6236121581796998,0.6959105784387636
EOS-2-10164,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)s2)nn1,IMUVZSHOFOXGSV-UHFFFAOYSA-N,2,1,0.3,76,368,455.532,4.199,6,0.389,0.69,1.0,0.04858303063532315,0.15386196970735386,0.12711603042971695,0.13887841820300184,0.11710986224384895
EOS-2-10165,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cc2)n1,PRVNCQZUOUOBKC-UHFFFAOYSA-N,2,1,0.29,38,167,444.462,3.471,6,0.402,0.69,1.0,0.09618943184154616,0.06856109930779247,0.34868240696319647,0.32532040298814335,0.2096883352751696
EOS-2-10166,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)nc2)n1,VCGAZOXBANNYAA-UHFFFAOYSA-N,2,1,0.26,94,165,444.462,3.471,6,0.402,0.62,0.996,0.0622472757179083,0.04937975464327325,0.3190408470975259,0.29117264066890547,0.1804601295319032
EOS-2-10167,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nc2)nn1,QFZKVJLTJFXCPZ-UHFFFAOYSA-N,2,1,0.319,70,392,444.462,3.471,6,0.402,0.72,1.0,0.1359056952916181,0.09862243848947981,0.26374991433075184,0.25858405866630113,0.18921552669453773
EOS-2-10168,N=c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cc2)c[nH]1,CVFYZNAKJJHWOW-UHFFFAOYSA-N,2,1,0.269,42,327,444.462,3.18,6,0.426,0.66,1.0,0.12751010897128368,0.11752964155986567,0.44458056336097596,0.3989531217874032,0.2721433589198821
EOS-2-10169,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cncnc4-c4ccncn4)n23)nc1,NQADWQZRNDUIRK-UHFFFAOYSA-N,2,1,0.306,94,165,444.462,3.471,6,0.402,0.53,0.998,0.10362552258241382,0.06856966623260914,0.24241827153724899,0.23800630525666508,0.16315494140223427
EOS-2-10170,Cc1cncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)n1,FKAAOBXATXZGJR-UHFFFAOYSA-N,2,1,0.304,32,77,444.462,3.471,6,0.402,0.67,0.399,0.11388013158796519,0.08620896443012815,0.15420464670002057,0.20583750257007744,0.1400328113220478
EOS-2-10171,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)nn1,PHFINOZSNHZKRE-UHFFFAOYSA-N,2,1,0.297,94,167,444.462,3.471,6,0.402,0.65,1.0,0.12751867589610033,0.11753820848468234,0.33000651086286065,0.30695291618120757,0.2205040778562127
EOS-2-10172,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cc2)cn1,JTEUKMYQCZPYBM-UHFFFAOYSA-N,2,1,0.299,42,725,444.462,3.471,6,0.402,0.67,1.0,0.14649441436501953,0.09232574874922898,0.389855047632102,0.34797991912822973,0.24416378246864506
EOS-2-10173,Cc1cncc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)n2)c1,VWNBMYSBUOKCOV-UHFFFAOYSA-N,2,1,0.25,94,874,444.462,3.471,6,0.402,0.64,1.0,0.09619799876636283,0.07582585155232678,0.2533068329792338,0.24653039544924954,0.16796526968679323
EOS-2-10174,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ncccc5C#N)c4)n23)cc1,ZBEMKURGMIKXTN-UHFFFAOYSA-N,2,1,0.311,42,150,444.462,3.311,6,0.41,0.68,1.0,0.014906449181001988,0.09561544787882942,0.4657151668836954,0.4431070522925091,0.254836029059009
EOS-2-10175,Cc1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)nc4)n23)c(-c2cncnc2)n1,FZBUBRUYLKRYRK-UHFFFAOYSA-N,2,1,0.32,94,165,444.462,3.471,6,0.402,0.63,1.0,0.13837296963881845,0.10180076759646357,0.25331539990405044,0.24082482352134876,0.1835784901651703
EOS-2-10176,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)ncn5)n34)cc2)n1,CWALMOFOOSBARW-UHFFFAOYSA-N,2,1,0.301,94,566,444.462,3.471,6,0.402,0.63,1.0,0.10092694126516345,0.09562401480364609,0.35609279692961415,0.3191093824960592,0.21793828387362074
EOS-2-10177,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)nc2)nn1,MKBFMGDTOXIRKH-UHFFFAOYSA-N,2,1,0.317,70,557,444.462,3.471,6,0.402,0.68,1.0,0.10093550818998012,0.09563258172846276,0.2105664450688781,0.1915907065999589,0.14968131039681998
EOS-2-10178,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccccn6)n5)n34)cc2)cn1,ZDZVSKKYQYPQBO-UHFFFAOYSA-N,2,1,0.319,38,77,444.462,3.471,6,0.402,0.68,0.979,0.0962065656911795,0.09863100541429648,0.20349016517031046,0.21189431841546158,0.152555513672812
EOS-2-10179,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cc2)n1,FVBYCSGUKKUAOF-UHFFFAOYSA-N,2,1,0.287,38,725,444.462,3.471,6,0.402,0.67,1.0,0.13044856418340073,0.0827650606538277,0.3445874169008293,0.32224487697895965,0.22001147967925433
EOS-2-10180,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)nn1,MFEYVJBPDPBHFM-UHFFFAOYSA-N,2,1,0.345,38,608,444.462,3.471,6,0.402,0.71,1.0,0.12465732300733329,0.1145911863477486,0.19298711534507573,0.1888407237338085,0.15526908710849152
EOS-2-10181,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4cn(-c5cn[nH]c5)nn4)n23)s1,ZWXDMOQBQRIYPU-UHFFFAOYSA-N,2,1,0.305,10,872,444.459,3.333,6,0.443,0.6,0.734,0.010211774381468029,0.10504763210198068,0.14512370639435268,0.23207799328353093,0.12311527654033308
EOS-2-10182,Cn1cnc(-c2ccc(F)cc2)c1-c1nnc2cncc(-n3cc(-c4cncs4)nn3)n12,LFSOSTIRXBXXDB-UHFFFAOYSA-N,2,1,0.433,10,872,444.459,3.035,6,0.412,0.46,0.327,0.007710232335001028,0.10505619902679735,0.1301401548900007,0.2259954766636968,0.11722551572887396
EOS-2-10183,COCc1nnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)n1C,GRXRXRQXXJAICY-UHFFFAOYSA-N,2,1,0.385,53,44,444.459,1.54,5,0.347,0.66,0.999,0.1409687478582688,0.05324343773559043,0.006733602905900898,0.006048248920567473,0.05174850935508189
EOS-2-10184,Cn1nc(-c2nnc3cncc(OCc4cnccn4)n23)cc1-c1cnc(C(C)(C)O)nc1,KPZNCLWYVWDTDU-UHFFFAOYSA-N,2,1,0.368,7,462,444.459,1.578,5,0.41,0.64,1.0,0.1383815365636351,0.0532520046604071,0.05969433212254129,0.013732780481118497,0.0662651634569255
EOS-2-10185,Cn1cncc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4F)n23)s1,HLDGRILKJMTDCW-UHFFFAOYSA-N,2,1,0.302,50,844,444.459,3.24,6,0.444,0.62,0.125,0.12466588993214996,0.23427969296141457,0.16391953944212184,0.2230655883763964,0.18648267767802068
EOS-2-10186,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(C#N)c6)c5)n34)cc2)o1,AZJRJFISUSYAPK-UHFFFAOYSA-N,2,1,0.322,3,668,444.458,4.479,6,0.394,0.77,1.0,0.06759303680350902,0.15752861352888767,0.715492426838462,0.6669779316016723,0.40189800219313276
EOS-2-10187,Cc1cc(C#N)ncc1COc1cncc2nnc(-c3ccc(-c4cnccc4C#N)cc3)n12,NXVKKPKMJMUJPM-UHFFFAOYSA-N,2,1,0.518,89,214,444.458,3.879,5,0.4,0.69,0.999,0.8154598725241587,0.6528767733534371,0.8376910424234117,0.7575388938386677,0.7658916455349188
EOS-2-10188,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)cc1,UGOVGUJNAOUACG-UHFFFAOYSA-N,2,1,0.42,12,897,444.458,4.498,6,0.383,0.75,1.0,0.6328216023576178,0.4789424988006305,0.5001970392707834,0.48657562881228156,0.5246341923103283
EOS-2-10189,O=c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nc2)c[nH]1,BBAGXFXBMUUSKO-UHFFFAOYSA-N,2,1,0.282,38,171,444.458,3.666,6,0.441,0.77,1.0,0.2862894935234048,0.17797786306627372,0.6569717634158042,0.6440528407922692,0.441322990199438
EOS-2-10190,c1ccc(Oc2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)nc2)cc1,MWDNCRUPJSSDCW-UHFFFAOYSA-N,2,1,0.337,32,515,444.458,4.498,6,0.383,0.82,0.999,0.1994894112809266,0.18202145157974092,0.555213830443424,0.5329997943938044,0.36743112192447397
EOS-2-10191,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccs6)cs5)n34)cc2)nc1,FBQVQYUWKPODSL-UHFFFAOYSA-N,2,1,0.338,32,479,455.543,6.449,6,0.307,0.67,1.0,0.3024467137276403,0.4075628812281543,0.8180727845932424,0.8432595435542458,0.5928354807758207
EOS-2-10192,Fc1cc(-c2ccsc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccsc4)cn3)n12,DWBXNXZWCMYNCA-UHFFFAOYSA-N,2,1,0.308,42,174,455.543,6.449,6,0.307,0.79,1.0,0.23243780412583098,0.35520183674868067,0.8641542731820986,0.8900006853539854,0.5854486498526489
EOS-2-10193,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3nc(-c4ccsc4)cs3)n12,SWZLJUIIAOPEIG-UHFFFAOYSA-N,2,1,0.373,93,651,455.543,6.449,6,0.307,0.74,1.0,0.27279658693715303,0.4436639024055925,0.7388201631142485,0.8133010074703585,0.5671454149818381
EOS-2-10194,Fc1cc(-c2cscn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccsc4)cc3)n12,UKPIIJSCIVJFIC-UHFFFAOYSA-N,2,1,0.342,69,484,455.543,6.449,6,0.307,0.78,1.0,0.32030018504557606,0.45247926804194366,0.883018641628401,0.8969484613803029,0.6381866390240559
EOS-2-10195,Fc1ccc(-c2cscc2-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cc1,OUYFTTFFWIPXLT-UHFFFAOYSA-N,2,1,0.397,69,484,455.543,6.449,6,0.307,0.76,1.0,0.267407991227469,0.44367246933040916,0.8361061613323282,0.8639401000616819,0.6027816804879721
EOS-2-10196,Fc1cc(-c2ccsc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)s3)n12,NCGZVFIJUDTYEZ-UHFFFAOYSA-N,2,1,0.326,32,126,455.543,6.449,6,0.307,0.77,0.96,0.2354447947364814,0.38389246795970117,0.789690562675622,0.835386539647728,0.5611035912548832
EOS-2-10197,COc1cccnc1CCOc1cncc2nnc(-c3cc(-c4cnc(C)o4)nc(C)n3)n12,OVAPQDGMEAAVQR-UHFFFAOYSA-N,2,1,0.433,31,851,444.455,2.878,5,0.37,0.68,0.999,0.26741655815228565,0.032554314303337675,0.05597628675210747,0.020971831951202797,0.09422974778973339
EOS-2-10198,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)c(OC)c4)n23)n1,WGEIEGLRJIPXSH-UHFFFAOYSA-N,2,1,0.469,15,771,444.455,2.61,5,0.384,0.54,1.0,0.4144678226303886,0.24500548283188267,0.24964875608251663,0.11906312110204921,0.2570462956617093
EOS-2-10199,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncnn5C)n34)cc2OC)cn1,QLEFWZKKLGAUEW-UHFFFAOYSA-N,2,1,0.446,15,936,444.455,2.578,5,0.373,0.71,1.0,0.3051709958193407,0.1652902474127887,0.20349873209512714,0.0872626961825783,0.1903056678774587
EOS-2-10200,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)s1,UHCFIWLMDDYOJE-UHFFFAOYSA-N,2,1,0.538,65,76,444.455,3.337,5,0.392,0.58,1.0,0.8334418477143445,0.8877304502775684,0.42617024192995684,0.40833390446165446,0.638919111095881
EOS-2-10201,COc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(OC)c4)n23)c(C)c1,PCBPLSBIOVAABJ-UHFFFAOYSA-N,2,1,0.449,15,248,444.455,2.876,5,0.403,0.57,1.0,0.32269035706942634,0.18645911863477485,0.27518675896100336,0.11458261942293195,0.2247297135220341
EOS-2-10202,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ocnc4-c4ccc(F)cc4)n23)s1,KLQDGTNFMNDCDU-UHFFFAOYSA-N,2,1,0.35,76,750,444.455,4.109,6,0.403,0.65,0.965,0.18840381056815844,0.2912754437667055,0.23170104859159757,0.32532896991296006,0.2591773182098554
EOS-2-10203,COc1nc(-c2nnc3cncc(OCc4ccc(C)nc4C)n23)ccc1-c1nc(C)no1,QKUYIKQNNAZILJ-UHFFFAOYSA-N,2,1,0.426,49,690,444.455,3.144,5,0.385,0.68,1.0,0.344878692344596,0.14595469810156947,0.06560551024604208,0.018812966897402507,0.14381296689740253
EOS-2-10204,COc1cc(-c2nnc3cncc(OCc4cccnc4OC)n23)ccc1-c1cnnn1C,WZUBNGKAICSCKW-UHFFFAOYSA-N,2,1,0.446,16,638,444.455,2.578,5,0.373,0.68,1.0,0.23244637105064767,0.08931875813857858,0.24590500993763278,0.09904221780549653,0.16667808923308888
EOS-2-10205,Cc1nnsc1-c1nc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)ccc1F,NAEYEBMYAXHGAW-UHFFFAOYSA-N,2,1,0.545,4,534,444.455,3.603,5,0.404,0.76,1.0,0.5286820642862038,0.7480039065177164,0.3672726338153656,0.40197724624768694,0.5114839627167431
EOS-2-10206,COc1cccc(COc2cncc3nnc(-c4ccc(-c5nncn5C)c(OC)c4)n23)n1,HUIKZYDKQNZQQX-UHFFFAOYSA-N,2,1,0.505,36,375,444.455,2.578,5,0.373,0.72,1.0,0.3278904804331437,0.11754677540949901,0.19644815297100954,0.07873003906517717,0.18015386196970737
EOS-2-10207,FC(F)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccns5)s4)n23)cn1,DXRAKMWCZKULGC-UHFFFAOYSA-N,2,1,0.483,27,69,444.452,3.678,5,0.391,0.67,1.0,0.4655438283873621,0.5288191350832705,0.21057501199369474,0.22022993626207937,0.35629197793160167
EOS-2-10208,COc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1c(C)oc(=O)n1C,QHKUTJPTORRHSZ-UHFFFAOYSA-N,2,1,0.602,1,458,444.451,3.041,5,0.393,0.53,1.0,0.25406072236310057,0.18646768555959153,0.21393324652182852,0.11686998834898225,0.19283291069837571
EOS-2-10209,COc1ccc(COc2cncc3nnc(-c4ccc(-c5nc(C)no5)c(OC)c4)n23)cc1,MKFWNNHARDSWBH-UHFFFAOYSA-N,2,1,0.53,89,591,444.451,3.746,5,0.371,0.82,1.0,0.4285604139538071,0.1423223219793023,0.4445891302857926,0.2292937427181139,0.311191402234254
EOS-2-10210,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)c(OC)c4)n23)c1,VBHRKOUHVXXHSU-UHFFFAOYSA-N,2,1,0.529,35,103,444.451,3.48,5,0.355,0.67,1.0,0.49511685285449936,0.12814406140771709,0.5107857583441848,0.2942567336029059,0.3570758515523268
EOS-2-10211,COc1cc(-c2nnc3cncc(OCc4ccncc4)n23)ccc1-c1c(C)oc(=O)n1C,LXNXLVAFZODHJK-UHFFFAOYSA-N,2,1,0.471,16,458,444.451,3.041,5,0.393,0.61,1.0,0.3377681447467617,0.1779864299910904,0.2861695565759715,0.16421081488588857,0.24153373654992805
EOS-2-10212,COc1cc(-c2nnc3cncc(OCCc4cccc(O)c4)n23)ccc1-c1nc(C)no1,IFBLVGWGYOUXMM-UHFFFAOYSA-N,2,1,0.568,15,309,444.451,3.485,5,0.402,0.63,1.0,0.49766979644986636,0.20436399150161058,0.34089507230484545,0.20584606949489412,0.31219373243780413
EOS-2-10213,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1coc(=O)n1C,UEUGLQFOYZELBF-UHFFFAOYSA-N,2,1,0.553,15,729,444.451,2.775,5,0.377,0.65,1.0,0.4013261599616202,0.142330888904119,0.3409036392296621,0.20865602083476115,0.27330417723254063
EOS-2-10214,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)c(OC)c3)n12,PGZVAQASFZRLSW-UHFFFAOYSA-N,2,1,0.605,15,604,444.451,3.48,5,0.355,0.77,1.0,0.5359296826811047,0.1538705366321705,0.4149133027208553,0.22600404358851348,0.33267939140566105
EOS-2-10215,Cc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4F)nc3)n12,NFPUBDHJMAAGNQ-UHFFFAOYSA-N,2,1,0.528,11,201,444.445,4.456,5,0.36,0.75,1.0,0.8931276129120691,0.9261788088547734,0.8219021999862929,0.7842934000411212,0.8563755054485642
EOS-2-10216,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)c1C,OLUMQTJYOKGIMW-UHFFFAOYSA-N,2,1,0.483,59,884,444.445,4.722,5,0.39,0.67,1.0,0.7798557329860873,0.7295079158385306,0.8739891028716332,0.8214567198958262,0.8012023678980194
EOS-2-10217,Cc1cc(C)c(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnc5F)c4)n23)cn1,TZXLTOJFYHNXKK-UHFFFAOYSA-N,2,1,0.5,97,253,444.445,4.722,5,0.365,0.75,1.0,0.8430882050579124,0.7653604961962854,0.8684891371393325,0.8110222054691248,0.8219900109656638
EOS-2-10218,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)nc2)c1,YBVXKYRATIZBIT-UHFFFAOYSA-N,2,1,0.602,84,308,444.445,4.456,5,0.385,0.81,1.0,0.8820591460489343,0.8033462408333905,0.8567353162908642,0.8253204029881434,0.841865276540333
EOS-2-10219,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCCc5cncc(F)c5)n34)cn2)cc1,DSCBVJPYYXBIFH-UHFFFAOYSA-N,2,1,0.489,11,801,444.445,4.538,5,0.343,0.79,1.0,0.8949952025221026,0.9047529298882873,0.7464361592762662,0.781903228017271,0.8320218799259818
EOS-2-10220,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cc2)cc1F,HINPZKVLBMIBRM-UHFFFAOYSA-N,2,1,0.533,11,848,444.445,4.456,5,0.36,0.71,1.0,0.9517253786580769,0.934265985881708,0.7856812418614214,0.7445000342676993,0.8540431601672264
EOS-2-10221,Cc1cc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)cnn1,SJXVNAPXGSUUQD-UHFFFAOYSA-N,2,1,0.588,91,80,444.445,4.456,5,0.385,0.71,1.0,0.847714344458913,0.8823075868686177,0.8361147282571448,0.8293811253512439,0.8488794462339798
EOS-2-10222,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)cc1,XZMHSRXMVILENZ-UHFFFAOYSA-N,2,1,0.617,1,676,444.445,5.073,5,0.364,0.7,1.0,0.8743746144883833,0.6671835377972722,0.881836406003701,0.7865550681927216,0.8024874066205194
EOS-2-10223,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)cc2)cn1,BDPLSOWXUOWWJF-UHFFFAOYSA-N,2,1,0.633,91,883,444.445,4.456,5,0.385,0.74,1.0,0.9612432321293949,0.962168460009595,0.8613528887670482,0.8194691933383592,0.9010584435610993
EOS-2-10224,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccc5F)n34)cc2F)c(C)n1,UPVOGNIRNFFLJT-UHFFFAOYSA-N,2,1,0.5,97,214,444.445,4.722,5,0.39,0.74,1.0,0.8763193064217668,0.7568706737029676,0.87533411006785,0.815502707148242,0.8310066993352067
EOS-2-10225,Cc1ccc(F)cc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(F)nc4)c3)n12,ULKOHCZAMWMIES-UHFFFAOYSA-N,2,1,0.563,11,525,444.445,4.456,5,0.36,0.71,1.0,0.8997412788705367,0.8823161537934343,0.8489736824069632,0.8110307723939415,0.8605154718662189
EOS-2-10226,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ccc2F)cn1,NTVLBXZYMIUHEW-UHFFFAOYSA-N,2,1,0.662,88,222,444.445,4.456,5,0.385,0.76,1.0,0.9605578781440615,0.9663234185456788,0.8567438832156808,0.8293896922760606,0.9032537180453704
EOS-2-10227,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1ccccc1C,SNNFJBVACUPCNA-UHFFFAOYSA-N,2,1,0.61,57,480,444.441,5.846,5,0.341,0.77,1.0,0.970032896991296,0.887739017202385,0.9627938455212117,0.937281543417175,0.939461825783017
EOS-2-10228,COc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cc3)n12,RMCNBMVUOPOADY-UHFFFAOYSA-N,2,1,0.618,83,23,444.441,5.324,5,0.355,0.79,1.0,0.9880234391062984,0.9630936878897951,0.9571054074429443,0.9398002193132753,0.9620056884380783
EOS-2-10229,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ccc5F)cc4)n23)cc1,UKAIBGHZZMKKPR-UHFFFAOYSA-N,2,1,0.625,57,23,444.441,4.808,5,0.407,0.81,1.0,0.9741021862792132,0.9386608183126585,0.9741707216777465,0.9672486464258789,0.9635455931738743
EOS-2-10230,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Oc5ccccc5)c4)n23)c(F)c1,PSZARCGCMQWKJY-UHFFFAOYSA-N,2,1,0.787,79,590,444.441,5.483,5,0.333,0.77,1.0,0.9814183400726475,0.983183126584881,0.9284747447056405,0.9221180864916729,0.9537985744637105
EOS-2-10232,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)cc1,RHTQSEZFNSWRTD-UHFFFAOYSA-N,2,1,0.779,79,528,444.441,6.16,5,0.314,0.87,1.0,0.9796621204852306,0.945274484271126,0.9762781851826469,0.9636848057021452,0.9662248989102872
EOS-2-10233,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)c(F)c4)n23)cc1,ULGNFQRCKFGWLD-UHFFFAOYSA-N,2,1,0.747,79,590,444.441,5.483,5,0.333,0.81,1.0,0.9845709684051813,0.9917500514015489,0.9387978891097252,0.930342334315674,0.9613653108080324
EOS-2-10234,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cc4)n23)cc1,CMRZHVPDCWLSGQ-UHFFFAOYSA-N,2,1,0.875,79,650,444.441,5.639,5,0.325,0.85,1.0,0.9886488246179151,0.9357394969501748,0.9713436364882462,0.9611404290315948,0.9642180967719827
EOS-2-10235,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)cc(F)c5)cc4)n23)cc1,RTEMPIAJVQSDST-UHFFFAOYSA-N,2,1,0.649,57,326,444.441,4.808,5,0.407,0.8,1.0,0.9717548488794462,0.9110239188540882,0.9728342814063464,0.9652268521691454,0.9552099753272565
EOS-2-10236,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c(F)c1,DFKZPUHVOWSKOQ-UHFFFAOYSA-N,2,1,0.654,79,590,444.441,5.483,5,0.333,0.78,1.0,0.9796706874100473,0.9790967034473306,0.9380097320265918,0.9292457679391406,0.9565057227057776
EOS-2-10237,COc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(F)c(F)c4)c3)n12,LNHNWHWFYCUNDB-UHFFFAOYSA-N,2,1,0.548,79,853,444.441,5.324,5,0.355,0.78,1.0,0.9384552121170585,0.8742718113905832,0.960129531903228,0.9381125351243917,0.9277422726338154
EOS-2-10238,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)cc4)n23)cc1F,IBWUKVCGJFNQBT-UHFFFAOYSA-N,2,1,0.817,79,590,444.441,5.483,5,0.333,0.82,1.0,0.987029675827565,0.9858046055787815,0.9435182646837091,0.932869577136591,0.9623055308066617
EOS-2-10239,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)cc4)n23)c(F)c1,ZTLWUNMWIRIXFQ-UHFFFAOYSA-N,2,1,0.819,79,590,444.441,5.483,5,0.333,0.77,1.0,0.9774689877321636,0.9825834418477143,0.9331694195051744,0.9249708724556234,0.954548180385169
EOS-2-10241,c1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cscn6)no5)n34)cc2)o1,DORKFXYMKUGQJA-UHFFFAOYSA-N,2,1,0.5,81,49,444.436,3.532,6,0.376,0.68,1.0,0.5592231512576246,0.39816496470426976,0.19998629292029332,0.17238366116098966,0.3324395175107943
EOS-2-10242,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nncs6)o5)n34)cc2)no1,UVCGCSWFSXXPFW-UHFFFAOYSA-N,2,1,0.494,81,609,444.436,3.532,6,0.376,0.63,1.0,0.505337194160784,0.42148413405523955,0.1929956822698924,0.16684086080460558,0.32166446782263036
EOS-2-10243,COc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)ccc2F)cn1,NIPQYOHCBYKMBR-UHFFFAOYSA-N,2,1,0.489,4,534,444.43,3.073,5,0.39,0.68,1.0,0.6691110958810226,0.6331300116510178,0.38248749228976764,0.26781063669385236,0.4881348091289151
EOS-2-10244,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)cc1=O,WUWSRDQTEPRWMY-UHFFFAOYSA-N,2,1,0.406,18,367,444.43,2.103,5,0.391,0.64,1.0,0.3494705640463299,0.14233945582893565,0.24242683846206567,0.23502501542046467,0.24231546843944896
EOS-2-10245,COCc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)n1,GXXFQSVEZILLIR-UHFFFAOYSA-N,2,1,0.398,54,670,444.43,2.903,5,0.374,0.65,1.0,0.5078987046809678,0.4789510657254472,0.30054485641834006,0.3004848879446234,0.3969698786923446
EOS-2-10246,COc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)ncn4)n23)n1,JFJFAQZTYNTSCX-UHFFFAOYSA-N,2,1,0.442,44,130,444.43,2.808,5,0.374,0.59,1.0,0.6076605441710644,0.49732711945719965,0.26038311287780136,0.23801487218148173,0.40084641217188677
EOS-2-10247,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cncnc1,UBFNRYVTZKVZAT-UHFFFAOYSA-N,2,1,0.439,49,773,444.43,2.808,5,0.35,0.6,0.999,0.714541498183812,0.5520269344116236,0.37502570077445,0.27639469536015354,0.47949720718250977
EOS-2-10248,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)nn2)cn1,PUMGTQSKXNXYOP-UHFFFAOYSA-N,2,1,0.453,54,411,444.43,2.808,5,0.374,0.7,0.933,0.6161675005140155,0.5953927078335961,0.29708381879240625,0.22930230964293058,0.4344865841957371
EOS-2-10249,COc1ccncc1CCOc1cncc2nnc(-c3cncc(-c4ncc(F)cn4)c3)n12,RIQUKBXQDMVPKC-UHFFFAOYSA-N,2,1,0.478,65,491,444.43,2.808,5,0.374,0.63,1.0,0.8104139538071414,0.6379103556987183,0.35231478308546366,0.25577410732643413,0.5141032999794394
EOS-2-10250,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)cc1=O,VKPNZKRHMOAICR-UHFFFAOYSA-N,2,1,0.455,87,349,444.43,2.103,5,0.391,0.63,1.0,0.4077856212733877,0.25502021794256735,0.28617812350078814,0.2764032622849702,0.3063468062504283
EOS-2-10251,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cc1=O,YJIMVWJQJYLIMB-UHFFFAOYSA-N,2,1,0.469,87,307,444.43,2.103,5,0.391,0.62,1.0,0.4261531080803235,0.27036358028921936,0.33001507778767736,0.31316393667329173,0.33492392570762797
EOS-2-10252,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)cn1,ZQNDUVABTSBTSZ-UHFFFAOYSA-N,2,1,0.464,87,173,444.43,2.808,5,0.35,0.7,1.0,0.629951682544034,0.6917449112466589,0.27519532588582,0.18884929065862519,0.4464353025837845
EOS-2-10253,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)ccc1=O,QWYVZJSSIMGQMO-UHFFFAOYSA-N,2,1,0.485,58,981,444.43,2.103,5,0.366,0.67,0.999,0.5490799122746899,0.42584469878692344,0.26039167980261807,0.23208656020834761,0.36685071276814474
EOS-2-10254,COc1nc(-c2nnc3cncc(OCCc4cnc(F)cn4)n23)ccc1-c1ccccn1,RUVXCLLGZPLJLK-UHFFFAOYSA-N,2,1,0.452,49,501,444.43,2.808,5,0.374,0.58,0.812,0.647616681516003,0.5196953601535192,0.17983688575149065,0.13650538002878487,0.3709135768624495
EOS-2-10255,CCOc1cc(F)ccc1-c1nnc2cncc(-c3ccc(-c4ccc(=O)n(C)n4)nn3)n12,WZICJSKUXWMTLJ-UHFFFAOYSA-N,2,1,0.402,22,985,444.43,2.547,5,0.406,0.64,0.278,0.4054982523473374,0.4436810362552258,0.24591357686244947,0.24083339044616545,0.33398156397779455
EOS-2-10256,COc1ncc(-c2nc(-c3nnc4cncc(OCCc5ccccn5)n34)ccc2F)cn1,IKJAGVCEWKAMFV-UHFFFAOYSA-N,2,1,0.484,18,367,444.43,2.808,5,0.374,0.67,1.0,0.6903313686519087,0.5017048180385169,0.19300424919470907,0.14358165992735247,0.3821555239531218
EOS-2-10257,COc1nc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1-c1ncccc1F,MDEGGZJSTHELNK-UHFFFAOYSA-N,2,1,0.42,49,501,444.43,2.808,5,0.374,0.61,1.0,0.6444897539579193,0.5017133849633335,0.17675279281749023,0.15119765608937016,0.3685383969570283
EOS-2-10258,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cc1=O,GUFJICSENAYTSC-UHFFFAOYSA-N,2,1,0.489,2,904,444.43,2.103,5,0.391,0.62,1.0,0.40550681927215404,0.26510348845178533,0.40443595367007057,0.36748680693578234,0.3606332670824481
EOS-2-10259,COc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)cc1F,HXWYFSXTSKDLFK-UHFFFAOYSA-N,2,1,0.427,18,840,444.43,2.808,5,0.374,0.64,1.0,0.6076691110958811,0.46555239531217874,0.38249605921458435,0.2853385648687547,0.4352640326228497
EOS-2-10260,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cnccn1,NWWJDCPTRKSNSL-UHFFFAOYSA-N,2,1,0.453,49,501,444.43,2.808,5,0.374,0.59,0.997,0.6783890754574737,0.5424919470906723,0.2533239668288671,0.19981495442395997,0.41850498595024327
EOS-2-10261,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1cncnc1,ALLSTHSGLOLZRQ-UHFFFAOYSA-N,2,1,0.439,49,367,444.43,2.808,5,0.374,0.63,0.731,0.6505037351792201,0.5333167706120211,0.31542560482489207,0.2408419573709821,0.43502201699677884
EOS-2-10262,COc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cncc(C)n1,RAYXPHMGJNSBMM-UHFFFAOYSA-N,2,1,0.412,49,122,444.43,3.073,5,0.365,0.61,1.0,0.5463898978822562,0.4614145706257282,0.25333253375368375,0.16684942772942224,0.3569966074977726
EOS-2-10263,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cncnc1,DHGNEXZKJZSZPU-UHFFFAOYSA-N,2,1,0.434,49,367,444.43,2.808,5,0.374,0.64,0.775,0.6416112672195189,0.5333253375368378,0.31904941402234255,0.252552943595367,0.4366347405935166
EOS-2-10264,COc1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cnccn1,GRLFEAFHVMRRLZ-UHFFFAOYSA-N,2,1,0.436,18,324,444.43,2.808,5,0.374,0.61,1.0,0.7510622986772668,0.5658539510657254,0.29709238571722296,0.23209512713316427,0.46152594064834485
EOS-2-10265,COc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1cncc(C)n1,UHEPJZTVWGITNK-UHFFFAOYSA-N,2,1,0.436,49,128,444.43,3.073,5,0.39,0.56,0.999,0.5733243095058598,0.4876550613391817,0.2752038928106367,0.18885785758344184,0.38126028030978
EOS-2-10266,COc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)c1,LTSVADWGLGOUIQ-UHFFFAOYSA-N,2,1,0.459,87,814,444.43,2.808,5,0.35,0.57,0.982,0.7085275169625112,0.6528853402782537,0.3973254060722363,0.2973665273113563,0.5140261976560894
EOS-2-10267,COc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4ccncc4F)n23)cn1,QLGGEVWKXIQSSQ-UHFFFAOYSA-N,2,1,0.43,55,879,444.43,3.073,5,0.39,0.79,0.999,0.7857497772599548,0.6528939072030704,0.3861541361113015,0.2557826742512508,0.5201451237063943
EOS-2-10268,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)cn1,AKWRLDVESHPMPS-UHFFFAOYSA-N,2,1,0.495,87,304,444.43,2.808,5,0.374,0.64,1.0,0.7358731409773148,0.7295164827633472,0.3043914056610239,0.22023850318689603,0.4975048831471455
EOS-2-10269,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)cc1=O,COKAIJDFJQPDMD-UHFFFAOYSA-N,2,1,0.469,87,349,444.43,2.103,5,0.366,0.66,1.0,0.4328010417380577,0.26511205537660204,0.397333972997053,0.3511325474607635,0.36159490439311903
EOS-2-10270,COc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nn2)c1,WSPQEPLRRVPEML-UHFFFAOYSA-N,2,1,0.447,54,411,444.43,2.808,5,0.35,0.66,1.0,0.741981358371599,0.604782057432664,0.39734253992186963,0.31317250359810844,0.5143196148310603
EOS-2-10271,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)cn1,KZEQZYUHKIJSKC-UHFFFAOYSA-N,2,1,0.506,65,76,444.43,2.808,5,0.35,0.7,1.0,0.7419899252964156,0.7249417449112466,0.3598022753752313,0.24378041258309918,0.5176285895414982
EOS-2-10272,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)cn2)cn1,YLYYLMPOCZERSG-UHFFFAOYSA-N,2,1,0.462,55,903,444.43,3.073,5,0.39,0.69,1.0,0.6076776780206977,0.609656637653348,0.34459598382564594,0.20585463641971077,0.44194623397985056
EOS-2-10273,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)ncc1=O,XJFKRETVSNETHG-UHFFFAOYSA-N,2,1,0.573,84,73,444.43,2.103,5,0.391,0.67,1.0,0.5490884791995065,0.47438489479816326,0.19999485984511,0.22601261051333013,0.3623702110890275
EOS-2-10274,OCc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,IOTMJKUXRWUXFQ-UHFFFAOYSA-N,2,1,0.475,65,858,444.43,2.291,5,0.402,0.57,1.0,0.6048762936056473,0.5288277020080872,0.45873312315811116,0.39275923514495237,0.49629908847919946
EOS-2-10275,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cn2)cc1F,SWKQDQFIQJRRLT-UHFFFAOYSA-N,2,1,0.474,87,579,444.43,2.808,5,0.374,0.7,0.999,0.6299602494688507,0.6868189294770749,0.2932972380234391,0.21744568569666234,0.4568805256665067
EOS-2-10276,COc1cncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)n1,ZHTOGNUTTRCRLR-UHFFFAOYSA-N,2,1,0.441,75,99,444.43,3.073,5,0.39,0.63,1.0,0.6962254129257761,0.5333339044616544,0.4225121650332397,0.27641182920978685,0.4821208279076143
EOS-2-10277,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(F)c2)cc1=O,QHMMWDRYSXQJHU-UHFFFAOYSA-N,2,1,0.5,37,795,444.43,2.103,5,0.391,0.74,1.0,0.4828575834418477,0.4170893016242889,0.24592214378726612,0.24378897950791584,0.34741450209032965
EOS-2-10278,COc1nc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1ccc(C)c(F)n1,SFZWEVZKEBCZLE-UHFFFAOYSA-N,2,1,0.398,49,501,444.43,3.073,5,0.365,0.57,0.991,0.5359382496059215,0.4655609622369954,0.27095469810156947,0.17239222808580631,0.3612115345075732
EOS-2-10279,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cnc(CO)cn5)ccn4)n23)c1F,ZFMCTGZRVTVGGO-UHFFFAOYSA-N,2,1,0.374,7,720,444.43,2.557,5,0.421,0.57,1.0,0.5359468165307382,0.4482557741073264,0.4334692618737578,0.3253375368377767,0.43575234733739976
EOS-2-10280,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cc1=O,XXUNQNXDXXCQSQ-UHFFFAOYSA-N,2,1,0.438,18,840,444.43,2.103,5,0.391,0.59,1.0,0.3862483722842848,0.13491193201288465,0.3523233500102803,0.3191179494208759,0.29815040093208145
EOS-2-10281,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nc2F)ccc1=O,MMTYHJBEXHGXQO-UHFFFAOYSA-N,2,1,0.446,18,773,444.43,2.103,5,0.366,0.68,0.996,0.410072990199438,0.259903365088068,0.2388972654375985,0.217454252621479,0.28158196833664584
EOS-2-10282,CCOc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)ncc1F,NNBPAULRHKPECU-UHFFFAOYSA-N,2,1,0.447,54,411,444.43,3.155,5,0.373,0.7,0.951,0.5203892810636694,0.5062110204920841,0.37117915153176617,0.2881913508327051,0.4214927009800562
EOS-2-10283,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cc1=O,HOUOIBHLJMRJRN-UHFFFAOYSA-N,2,1,0.48,65,904,444.43,2.103,5,0.391,0.7,1.0,0.4854447947364814,0.39317044753615243,0.35233191693509697,0.3162394626824755,0.3867966554725516
EOS-2-10284,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnn5)n34)ccc2F)cn1,SQTAZCRICRKUHC-UHFFFAOYSA-N,2,1,0.474,37,426,444.43,2.291,5,0.402,0.68,1.0,0.7329775203892811,0.6967137276403262,0.35981084230004795,0.33826502638612843,0.5319417791789459
EOS-2-10285,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cccnn1,SZFFIMCTDUJZTH-UHFFFAOYSA-N,2,1,0.441,49,501,444.43,2.808,5,0.35,0.57,1.0,0.7713402097183195,0.5614419847851415,0.29330580494825575,0.2202470701117127,0.4615837673908574
EOS-2-10286,COc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)cn1,OXLDIBOAFVAZHJ-UHFFFAOYSA-N,2,1,0.529,72,889,444.43,2.808,5,0.374,0.73,1.0,0.9193509697758893,0.7910355698718388,0.30439997258584056,0.22025563703652937,0.5587605373175244
EOS-2-10287,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cnncn1,ZOJDUFIPQRCRES-UHFFFAOYSA-N,2,1,0.516,15,669,444.43,2.808,5,0.35,0.63,1.0,0.8857771914193681,0.7436347748612158,0.5282108834212871,0.3989616887122199,0.6391461346035227
EOS-2-10288,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)ccc1=O,ATZMFOBFRCOXSY-UHFFFAOYSA-N,2,1,0.479,58,304,444.43,2.103,5,0.391,0.59,0.79,0.5233020355013365,0.4258532657117401,0.2139418134466452,0.21190288534027826,0.34375
EOS-2-10289,CCn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)cc1=O,WRZJNRYHBKAGEV-UHFFFAOYSA-N,2,1,0.432,55,600,444.43,2.543,5,0.393,0.7,1.0,0.4236686998834898,0.3404924268384621,0.27879343430882053,0.26781920361866907,0.3276934411623604
EOS-2-10290,OCc1cc(F)c(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ncn2)cn1,WIVKOKCWMCJTBY-UHFFFAOYSA-N,2,1,0.469,44,194,444.43,2.291,5,0.402,0.59,0.762,0.5788499760126106,0.40296244260160374,0.3409122061544788,0.30362894935234047,0.40658839353025844
EOS-2-10291,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)cn1,SHIJKMJKVMXWJK-UHFFFAOYSA-N,2,1,0.516,65,903,444.43,2.808,5,0.374,0.64,1.0,0.7941110958810226,0.7249503118360633,0.3523404838599136,0.25579124117606744,0.5317982831882667
EOS-2-10292,COc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)cn1,LEVMDWKPXJGCDW-UHFFFAOYSA-N,2,1,0.506,65,282,444.43,2.808,5,0.35,0.69,1.0,0.808023781783291,0.8227588924679597,0.4008978137207868,0.2585926255911178,0.5725682783907888
EOS-2-10293,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)c1,ISBAATFANSZMKX-UHFFFAOYSA-N,2,1,0.495,65,434,444.43,2.808,5,0.35,0.68,1.0,0.8209255705571928,0.847560139812213,0.44459769721060927,0.310191213761908,0.6058186553354807
EOS-2-10294,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCOc5ccccc5)n34)cc2F)n[nH]1,HNEDZFWXFUNOSB-UHFFFAOYSA-N,2,1,0.595,79,881,444.426,3.139,5,0.384,0.69,0.997,0.9258703995613734,0.7018367486806936,0.6538105681584538,0.6150795010622987,0.724149304365705
EOS-2-10295,FC(F)(F)c1ccc(C=Cc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cc1,OXMOGNBJDWZKSC-UHFFFAOYSA-N,2,1,0.323,62,319,444.42,5.438,5,0.369,0.82,0.402,0.3515608937015969,0.3886214104585018,0.9700243300664794,0.9431070522925091,0.6633284216297718
EOS-2-10296,COc1ncncc1COc1cncc2nnc(-c3cc(-c4cnc(CO)cn4)ncn3)n12,AZSLIIMWMKCLDX-UHFFFAOYSA-N,2,1,0.36,7,296,444.415,0.908,5,0.378,0.54,1.0,0.38400383798231785,0.13861284353368514,0.06561407717085875,0.028921938181070524,0.15428817421698304
EOS-2-10297,Cc1nn(-c2ncccc2C#N)cc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,UYSPFUYOLVDXPW-UHFFFAOYSA-N,2,1,0.433,61,121,444.405,3.821,5,0.406,0.69,1.0,0.07981803851689398,0.3931790144609691,0.762559111781235,0.7368926050304982,0.4931121924473991
EOS-2-10298,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nc6cc(F)c(F)cc6n5C)n34)cc2)no1,RKYFXPBPASFDER-UHFFFAOYSA-N,2,1,0.325,96,635,444.405,3.982,6,0.407,0.72,1.0,0.23811767527928174,0.360067850044548,0.4554005894044274,0.4865841957370982,0.38504257761633887
EOS-2-10299,N#CCCOc1cncc2nnc(-c3ccc(-n4cc(-c5ccc(F)c(F)c5)cn4)nc3)n12,JVGCIOLHFAPWTJ-UHFFFAOYSA-N,2,1,0.495,37,563,444.405,3.61,5,0.368,0.7,1.0,0.5079072716057844,0.4351569460626414,0.7696867932287026,0.7653604961962854,0.6195278767733534
EOS-2-10300,Cn1c(C#N)cnc1-c1cccc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)c1,AJMLEDFCMAGYSN-UHFFFAOYSA-N,2,1,0.5,16,980,444.405,3.316,5,0.409,0.63,1.0,0.644498320882736,0.547375094236173,0.7440117195531492,0.7070283051195942,0.6607283599479131
EOS-2-10301,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3nnc(-n4ccnc4)s3)n12,GTVZWOMBSZNBMC-UHFFFAOYSA-N,2,1,0.451,36,51,444.402,3.484,5,0.396,0.58,0.999,0.2891251456377219,0.46142313755054487,0.5810859433897608,0.5845041463916113,0.4790345932424097
EOS-2-10302,Fc1cc(-c2cncnc2)ccc1-c1nnc2cncc(OC3Oc4ccccc4C3F)n12,MRSGRJDXSHCFCV-UHFFFAOYSA-N,2,1,0.447,1,91,444.401,4.196,6,0.411,0.5,0.936,0.8287043382907272,0.8303491878555274,0.9717034473305463,0.9523764649441436,0.8957833596052361
EOS-2-10303,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccsc5)o4)n23)cc1,PGZBEBPLOMADCG-UHFFFAOYSA-N,2,1,0.506,27,51,444.398,4.501,5,0.394,0.77,1.0,0.813052566650675,0.7781337810979371,0.8993214995545199,0.82532896991296,0.828959204304023
EOS-2-10304,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)nn4)n23)cc1,RHOUEUQMUJLQQU-UHFFFAOYSA-N,2,1,0.511,72,22,444.386,3.27,5,0.22,0.7,1.0,0.7239565485573298,0.4524878349667603,0.42252073195805634,0.23210369405798095,0.4577672023850319
EOS-2-10305,N#Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)c(F)c1,CCEHLKCASMCEQI-UHFFFAOYSA-N,2,1,0.373,82,243,444.38,4.259,5,0.408,0.73,0.339,0.3203087519703927,0.6001559180316633,0.922272291138373,0.9019172777739702,0.6861635597285998
EOS-2-10306,COC(=O)c1ccccc1COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,OMZOATISFIDLLI-UHFFFAOYSA-N,2,1,0.653,48,40,444.369,4.056,4,0.415,0.78,1.0,0.9654410252895621,0.8978051538619697,0.9571139743677609,0.862338085120965,0.9206745596600645
EOS-2-10307,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3cn(-c4ccncc4F)nn3)n12,SLXNRJURJSLFPG-UHFFFAOYSA-N,2,1,0.31,10,872,444.365,2.762,6,0.403,0.61,1.0,0.06760160372832567,0.1538791035569872,0.4446062641354259,0.5025443766705503,0.2921578370228223
EOS-2-10308,Fc1cc(-c2nnc3cncc(-c4ccnc(-c5conn5)c4)n23)cc(F)c1-c1cnco1,YHYKBDRPPKQOHJ-UHFFFAOYSA-N,2,1,0.329,42,287,444.361,3.837,6,0.399,0.59,1.0,0.3328935645260777,0.3503015557535467,0.705280652456994,0.7154581591391954,0.5259834829689535
EOS-2-10309,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)o2)cc1F,NACVJFQHVDEATH-UHFFFAOYSA-N,2,1,0.342,3,641,444.361,3.837,6,0.399,0.75,1.0,0.3927763689945857,0.5017219518881503,0.5906894661092454,0.6263707079706669,0.5278896237406621
EOS-2-10310,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5noc(C(F)(F)F)n5)n34)cc2)n1,BAQBBPINSWTJHM-UHFFFAOYSA-N,2,1,0.494,36,447,444.337,1.963,5,0.396,0.66,1.0,0.46299088479199507,0.49218696456719896,0.2709632650263861,0.15120622301418682,0.3443368343499418
EOS-2-10311,Fc1ccc(-c2nnc3cncc(-c4nnn(Cc5cc(F)c(F)cc5F)n4)n23)c(F)c1,PWNXKPJRCIXAJF-UHFFFAOYSA-N,2,1,0.368,22,221,444.327,3.189,5,0.313,0.69,0.999,0.2779453087519704,0.48300322116373107,0.8376996093482284,0.9155044205332054,0.6285381399492839
EOS-2-10312,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3cnc(C(F)(F)F)c(F)c3)n12,DQXBQEVWTNQFJA-UHFFFAOYSA-N,2,1,0.357,47,243,444.327,3.935,5,0.424,0.59,1.0,0.4122061544787883,0.5566016722637243,0.9696302515249127,0.9423360290590089,0.7201935268316085
EOS-2-10313,Fc1cc(F)cc(-c2nnc3cncc(-c4ccc(-c5noc(C(F)F)n5)cc4F)n23)c1,MUQSQXFMIJJYNM-UHFFFAOYSA-N,2,1,0.423,45,102,444.323,4.863,5,0.368,0.8,1.0,0.3840124049071345,0.5473836611609897,0.9507059146048934,0.9511770954698101,0.7083197690357069
EOS-2-10314,FC(F)c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4Cl)n23)ccc1Cl,FNZKEOHSCGBUHB-UHFFFAOYSA-N,2,1,0.613,23,17,455.679,6.268,4,0.356,0.77,1.0,0.97519018573093,0.987029675827565,0.9968645055170996,0.9993917483380166,0.9896190288534028
EOS-2-10315,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4Cl)n23)cc1-c1cncs1,AQKWVJYBFRNTEC-UHFFFAOYSA-N,2,1,0.437,95,956,444.307,4.747,5,0.398,0.6,1.0,0.270243643341786,0.3114591186347749,0.5415238845863889,0.6727520389281064,0.44899467137276405
EOS-2-10316,Cn1nc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)cc1-c1cncs1,NQSNRCQLIIVTSY-UHFFFAOYSA-N,2,1,0.443,95,956,444.307,4.747,5,0.398,0.6,0.996,0.2862980604482215,0.3552104036734974,0.5449249537386059,0.6758446987869234,0.46556952916181205
EOS-2-10317,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)nn5)s4)n23)cc1,NBSPKYQAVPNASZ-UHFFFAOYSA-N,2,1,0.561,4,32,444.307,4.319,5,0.402,0.69,1.0,0.46555239531217874,0.6967222945651429,0.48317455966006445,0.6263792748954835,0.5679571311082174
EOS-2-10318,Clc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)cn1,RVQNFAIFQQQFIO-UHFFFAOYSA-N,2,1,0.368,22,844,455.696,4.666,5,0.365,0.8,1.0,0.33777671167157836,0.5703687204441094,0.772076965252553,0.8995442395997533,0.6449416592419985
EOS-2-10319,Clc1cncc(-c2cncc3nnc(-c4ccc(-c5cnc(Cl)c(Cl)c5)nc4)n23)n1,ZGVJODWAAZRUOC-UHFFFAOYSA-N,2,1,0.338,50,845,455.696,4.666,5,0.365,0.73,0.922,0.24621341923103282,0.3886299773833185,0.7578473031320677,0.870433829072716,0.5657811322047838
EOS-2-10320,Clc1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cc4Cl)n23)c(Cl)c1,BFDDVOCHXFPBFN-UHFFFAOYSA-N,2,1,0.371,45,844,455.696,4.666,5,0.39,0.64,1.0,0.29474504831745596,0.48766362826399834,0.8253375368377767,0.9241056130491399,0.6329629566170927
EOS-2-10321,Clc1ccc(-c2nnc3cncc(-c4cnc(Cl)c(-c5cnc(Cl)nc5)n4)n23)cc1,NWTFCNYUECUNGQ-UHFFFAOYSA-N,2,1,0.443,50,575,455.696,4.666,5,0.365,0.74,1.0,0.33290213145089437,0.6144626824754986,0.6786632170516071,0.8394129943115619,0.6163602563223906
EOS-2-10322,Clc1cncc(-c2nnc3cncc(-c4ccc(Cl)c(-c5ccc(Cl)nn5)n4)n23)c1,SRSFRDTZYSMAQD-UHFFFAOYSA-N,2,1,0.309,22,844,455.696,4.666,5,0.39,0.73,0.156,0.24088479199506546,0.4029710095264204,0.639443835240902,0.8313943526831609,0.5286734973613871
EOS-2-10323,Fc1sc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)nc1Cl,GJBRZGNLWFRURY-UHFFFAOYSA-N,2,1,0.484,22,730,444.282,4.818,5,0.397,0.67,0.809,0.3329106983757111,0.6282554314303338,0.5810945103145775,0.7725053114933863,0.5786914879035022
EOS-2-10324,Cc1c(Cl)cncc1COc1cncc2nnc(-c3cc4c(cc3Cl)OCCO4)n12,XWVRQWNBSKXTFD-UHFFFAOYSA-N,2,1,0.46,90,555,444.278,4.152,5,0.468,0.74,1.0,0.7145500651086286,0.6282639983551505,0.7440202864779659,0.7472842848331163,0.7085296586937153
EOS-2-10325,Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1-c1ccc(Cl)cc1,MACWZXFPWTZLPF-UHFFFAOYSA-N,2,1,0.417,45,46,455.736,5.819,5,0.344,0.74,1.0,0.15772565279967102,0.4700671646905627,0.9192995682269892,0.9702984716606127,0.6293477143444589
EOS-2-10326,Cn1cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2cccc(Cl)c2Cl)n1,VVLKONASZBQUEN-UHFFFAOYSA-N,2,1,0.431,45,46,455.736,5.819,5,0.344,0.78,1.0,0.19949797820574328,0.5062195874169009,0.9222808580631896,0.9687307244191625,0.6491822870262491
EOS-2-10327,Fc1ccc(-n2nncc2-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1Cl,AZTRGJKIPBXUAN-UHFFFAOYSA-N,2,1,0.359,45,730,444.232,4.624,5,0.406,0.71,0.997,0.14097731478308545,0.47007573161537936,0.9339832773627579,0.9744619971215133,0.629874580220684
EOS-2-10328,Fc1cc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)c(F)c5)nn4)n23)ccc1Cl,QAPRFSNUFISMQT-UHFFFAOYSA-N,2,1,0.356,45,102,444.232,4.624,5,0.406,0.77,1.0,0.1085772051264478,0.4614317044753615,0.9471420738811597,0.9773747515591803,0.6236314337605373
EOS-2-10329,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)cc1F,PNQBCOPRFWEBHQ-UHFFFAOYSA-N,2,1,0.36,45,730,444.232,4.624,5,0.406,0.66,1.0,0.16319991775752177,0.5379943115619217,0.9316787745870743,0.9687392913439792,0.6504030738126243
EOS-2-10330,Fc1ccc(-c2nnc3cncc(Oc4ncc(-c5nnco5)cc4Cl)n23)cc1Cl,DYGBBNCJTGQEQA-UHFFFAOYSA-N,2,1,0.464,13,706,444.213,4.475,5,0.4,0.72,1.0,0.7941196628058392,0.8227674593927764,0.7896991296004386,0.8432681104790625,0.8124635905695292
EOS-2-10331,Fc1cc(Cl)ccc1-c1nnc2cncc(Oc3ccc(-c4ncc(F)c(F)n4)cn3)n12,SBNCHNAPGGVCNW-UHFFFAOYSA-N,2,1,0.477,13,412,455.787,4.506,5,0.368,0.64,1.0,0.8743831814131999,0.9549294085395107,0.8777756836406003,0.8913628263998356,0.8996127749982866
EOS-2-10332,Fc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5F)n34)ncn2)ccn1,FTABMOHUYUPTQI-UHFFFAOYSA-N,2,1,0.371,44,971,455.787,4.506,5,0.291,0.61,0.993,0.7022565279967103,0.7948135837159893,0.9365533548077583,0.9398087862380919,0.8433580631896374
EOS-2-10333,Fc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5F)n34)cnn2)c1,XCFYFGJKOCWKFD-UHFFFAOYSA-N,2,1,0.409,13,995,455.787,4.506,5,0.368,0.56,1.0,0.7480724419162498,0.8187667055033925,0.9441436501953259,0.9518624494551435,0.8657113117675279
EOS-2-10334,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)c(F)c1F,KDXFBMXNHXITMJ-UHFFFAOYSA-N,2,1,0.46,13,995,455.787,4.506,5,0.291,0.74,1.0,0.8588599136453978,0.9414450688780756,0.9373843465149749,0.9303509012404907,0.9170100575697349
EOS-2-10335,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncnc5Cl)n34)nc2F)o1,WQCREWJSIFFLNW-UHFFFAOYSA-N,2,1,0.371,46,223,455.797,2.406,5,0.275,0.52,0.947,0.6535878281132205,0.519703927078336,0.1606641080117881,0.15636351175382085,0.37257984373929137
EOS-2-10336,OCc1nc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)nc2F)no1,DZHTVPYLCNTWTN-UHFFFAOYSA-N,2,1,0.36,46,223,455.797,1.89,5,0.295,0.61,0.962,0.5438112535124392,0.542500514015489,0.08312487149612775,0.11907168802686588,0.3221270817627304
EOS-2-10337,Fc1ccc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)nc1F,WFOXFRFQBHKAME-UHFFFAOYSA-N,2,1,0.463,45,533,455.802,5.73,5,0.257,0.79,1.0,0.5706771297375094,0.8850233020355014,0.989916729490782,0.9958793091631828,0.8603741176067439
EOS-2-10338,Fc1cnc(-c2nnc3cncc(OCCc4ccc(F)c(-c5nnco5)c4)n23)c(Cl)c1,JNUCUBJADFNMRV-UHFFFAOYSA-N,2,1,0.5,19,442,455.812,3.789,5,0.381,0.53,1.0,0.7741501610581866,0.6331385785758344,0.6731375505448565,0.7284884517853472,0.7022286854910562
EOS-2-10339,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)n4)n23)cc1Cl,VLUVUNKCUZRADY-UHFFFAOYSA-N,2,1,0.61,84,308,455.812,3.789,5,0.356,0.55,1.0,0.8613100541429648,0.7295250496881639,0.692361729833459,0.7313583715989308,0.7536388013158797
EOS-2-10340,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4Cl)n23)cn1,YXQOXRMPIPUMPP-UHFFFAOYSA-N,2,1,0.474,27,69,455.812,4.406,5,0.371,0.74,0.999,0.882067712973751,0.8337759577821945,0.8818449729285176,0.8452385031868961,0.8607317867178397
EOS-2-10341,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cc2F)o1,PYZYCKHVNJGAJE-UHFFFAOYSA-N,2,1,0.506,16,772,455.812,4.055,5,0.365,0.69,1.0,0.8700397505311493,0.7991655815228565,0.7414673428825989,0.7313669385237476,0.7855099033650881
EOS-2-10342,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5F)n34)cn2)no1,ZPXJNHBVUIJCPF-UHFFFAOYSA-N,2,1,0.511,73,772,455.812,4.055,5,0.365,0.67,1.0,0.7596806250428346,0.7738760194640532,0.6895003769446919,0.6960626413542594,0.7297799157014598
EOS-2-10343,Cc1nc(-c2ccc(COc3cncc4nnc(-c5c(F)cc(Cl)cc5F)n34)cn2)no1,BEGVANDQOUSSGH-UHFFFAOYSA-N,2,1,0.518,73,877,455.812,4.055,5,0.391,0.76,1.0,0.7450054828318826,0.7866921389897882,0.6300116510177507,0.6582825029127545,0.7049979439380439
EOS-2-10344,Cc1nc(-c2cc(F)c(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cn2)no1,AARMELXRKKDABT-UHFFFAOYSA-N,2,1,0.477,73,877,455.812,4.055,5,0.391,0.74,1.0,0.6842745528065246,0.7249588787608799,0.6649647042697553,0.7207525186758961,0.698737663628264
EOS-2-10345,FC(F)c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nnco1,SNJPBHNOQVYCDA-UHFFFAOYSA-N,2,1,0.494,16,772,455.812,4.406,5,0.371,0.62,1.0,0.8722842848331163,0.794822150640806,0.8910715509560688,0.8623466520457816,0.8551311596189433
EOS-2-10346,Fc1ccc(-c2nnc3cncc(OCc4ncnn4Oc4ccc(F)cc4Cl)n23)cc1,PYRNUZOSRZFTTR-UHFFFAOYSA-N,2,1,0.548,34,612,455.812,3.736,5,0.385,0.6,1.0,0.7912497429922555,0.8033548077582071,0.7181396066068124,0.7843019669659379,0.7742615310808032
EOS-2-10347,N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)c2F)o1,JUQNAELJDOKIBQ-UHFFFAOYSA-N,2,1,0.473,34,146,455.812,3.764,5,0.416,0.57,1.0,0.6722294565142897,0.667192104722089,0.8361232951819615,0.8432766774038791,0.7547053834555548
EOS-2-10348,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1nnco1,MPQGHZAAMJTWJN-UHFFFAOYSA-N,2,1,0.552,37,919,455.812,3.789,5,0.356,0.59,1.0,0.9394404084709752,0.890420464670002,0.7696953601535192,0.779864299910904,0.8448551333013501
EOS-2-10349,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4ncno4)c(F)n3)n12,OGELPJAKQWAGTO-UHFFFAOYSA-N,2,1,0.458,44,442,455.812,3.789,5,0.356,0.62,1.0,0.687332944966075,0.7065828250291275,0.6949489411280927,0.7394883832499486,0.7070882735933111
EOS-2-10350,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)cc2F)no1,CMIIRFJURUVIDR-UHFFFAOYSA-N,2,1,0.512,16,772,455.812,4.055,5,0.365,0.75,1.0,0.8635631553697485,0.7948307175656226,0.7234939346172298,0.7181053389075458,0.7749982866150367
EOS-2-10351,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCCc3ncc(Cl)cc3F)n12,NZKVTRMPQAVCNE-UHFFFAOYSA-N,2,1,0.511,37,832,455.812,3.789,5,0.381,0.71,1.0,0.8722928517579329,0.8265283393872935,0.6761359742306902,0.7207610856007127,0.7739295627441574
EOS-2-10352,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)nc2F)o1,HFDHRFCUJJEZJC-UHFFFAOYSA-N,2,1,0.43,19,910,455.812,4.055,5,0.365,0.62,0.974,0.7388372969638819,0.6818158453841409,0.6538191350832705,0.6847885682955246,0.6898152114317044
EOS-2-10353,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)n4)n23)ccc1Cl,GEAFGKDTWQELKJ-UHFFFAOYSA-N,2,1,0.61,84,308,455.812,3.789,5,0.356,0.56,1.0,0.8635717222945651,0.7249674456856967,0.6895089438695086,0.7313755054485642,0.7523559043245837
EOS-2-10354,Fc1cc(-c2cocn2)ncc1-c1nnc2cncc(OCCc3cnc(Cl)c(F)c3)n12,HDBMLBRMHWMUQD-UHFFFAOYSA-N,2,1,0.489,58,698,455.812,3.789,5,0.356,0.59,1.0,0.8052480981426907,0.7249760126105134,0.7155009937632787,0.7341169213898979,0.7449605064765952
EOS-2-10355,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)n4)n23)ccc1-c1ncno1,YPPISOIYQMRGRL-UHFFFAOYSA-N,2,1,0.5,37,563,455.812,3.789,5,0.356,0.69,1.0,0.8912600233020355,0.8507641696936468,0.7129223493934618,0.7341254883147146,0.7972680076759646
EOS-2-10356,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)c(F)n2)nc1,HLFRDQAESIDSJR-UHFFFAOYSA-N,2,1,0.478,58,262,455.812,3.789,5,0.356,0.61,1.0,0.8983106024261531,0.8475687067370297,0.5415324515112055,0.5874854362278117,0.71872429922555
EOS-2-10357,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)ccc1Cl,KAPPTQKFFGVNDR-UHFFFAOYSA-N,2,1,0.595,19,442,455.812,3.789,5,0.356,0.58,0.998,0.9061236378589541,0.7910441367966554,0.7129309163182784,0.7445086011925159,0.788651823041601
EOS-2-10358,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)c(F)n3)n12,VJCMZEGRTADVDR-UHFFFAOYSA-N,2,1,0.495,19,442,455.812,3.789,5,0.356,0.6,1.0,0.8236070180248098,0.7480124734425331,0.6923702967582757,0.7369011719553149,0.7502227400452334
EOS-2-10359,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)cn1,BURJZAWIJQCPCW-UHFFFAOYSA-N,2,1,0.419,92,468,455.816,3.467,5,0.383,0.68,1.0,0.3884586388869851,0.5954012747584128,0.6424422589267357,0.5936878897950791,0.5549975155918031
EOS-2-10360,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2F)n1,BFMRVWKWKYPMIT-UHFFFAOYSA-N,2,1,0.449,73,379,455.816,2.887,5,0.372,0.62,1.0,0.762841820300185,0.7065913919539442,0.47963641971078064,0.512687615653485,0.6154393119045987
EOS-2-10361,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)cn1,OUFLCLOGJHFPKJ-UHFFFAOYSA-N,2,1,0.432,92,468,455.816,3.467,5,0.383,0.62,1.0,0.3992272633815366,0.5860461928586115,0.656980330340621,0.5965235419093962,0.5596943321225414
EOS-2-10362,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)nn5)cn4)n23)cn1,IRHJTKPUOGDJBS-UHFFFAOYSA-N,2,1,0.494,27,69,455.816,3.332,5,0.383,0.62,1.0,0.29994517168117335,0.4655695291618121,0.6424508258515523,0.584512713316428,0.4981195600027414
EOS-2-10363,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1F,GLHSQNZZJLXHHR-UHFFFAOYSA-N,2,1,0.472,73,379,455.816,2.887,5,0.372,0.62,1.0,0.5846926187375779,0.6769840997875403,0.49666746624631625,0.552326776780207,0.5776677403879104
EOS-2-10364,FC(F)n1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,CHWKDDCNRMGBBE-UHFFFAOYSA-N,2,1,0.457,55,283,455.816,3.467,5,0.383,0.63,0.998,0.5203978479884861,0.6047906243574807,0.6270988965800837,0.6150880679871154,0.5918438592282915
EOS-2-10365,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)nc2F)n1,YHQYQAZOEGNQOQ-UHFFFAOYSA-N,2,1,0.43,36,223,455.816,2.887,5,0.372,0.62,0.996,0.5815314234802276,0.6235607566307998,0.4587416900829278,0.5490884791995065,0.5532305873483654
EOS-2-10366,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)nc1F,FWCJHFFWUXUUJS-UHFFFAOYSA-N,2,1,0.354,51,379,455.816,2.887,5,0.294,0.6,0.999,0.5759800561990268,0.5473922280858063,0.4261788088547735,0.44950654513055993,0.4997644095675417
EOS-2-10367,Cn1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)n1,BDKCPMLUJLWBFM-UHFFFAOYSA-N,2,1,0.487,22,649,455.816,3.299,5,0.397,0.77,1.0,0.4034421903913371,0.5954098416832294,0.6271074635049003,0.6818415461585909,0.5769502604345145
EOS-2-10368,Cn1nc(-c2ccc(F)nn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,KPXJCMZSDFUOMG-UHFFFAOYSA-N,2,1,0.489,36,446,455.816,2.887,5,0.398,0.64,0.991,0.5874597354533616,0.786700705914605,0.23523918854088136,0.3864111438558015,0.49895269344116233
EOS-2-10369,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2F)n1,DBMDMZYGSVUQFA-UHFFFAOYSA-N,2,1,0.506,36,526,455.816,2.887,5,0.398,0.66,1.0,0.6388869851278185,0.6721009526420396,0.4694417791789459,0.5459529847166061,0.5815956754163526
EOS-2-10370,Cn1cc(Cl)c(-c2ncc(COc3cncc4nnc(-c5c(F)cccc5F)n34)nn2)n1,HXNGGWCDCYVSSZ-UHFFFAOYSA-N,2,1,0.482,36,877,455.816,2.887,5,0.398,0.58,1.0,0.467891165787129,0.6096652045781646,0.28618669042560485,0.42429408539510655,0.44700928654650124
EOS-2-10371,FC(F)n1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)n1,UQYJMHZBBNCKHG-UHFFFAOYSA-N,2,1,0.361,46,395,455.816,3.467,5,0.358,0.56,1.0,0.46066068124186144,0.4482643410321431,0.6597217462819547,0.617752381605099,0.5465997875402645
EOS-2-10372,Cn1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(-c2ccc(F)c(F)n2)n1,KRKIXQODZZAEME-UHFFFAOYSA-N,2,1,0.411,51,196,455.816,2.887,5,0.372,0.6,0.899,0.42856898087862383,0.43516551298745804,0.3446045507504626,0.4083424713864711,0.40417037900075387
EOS-2-10373,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2)n1,KVGUDIFDPFPMOD-UHFFFAOYSA-N,2,1,0.387,51,924,455.816,3.467,5,0.383,0.61,1.0,0.4467822630388596,0.5197124940031527,0.5282194503461037,0.492623877732849,0.4968345212802413
EOS-2-10374,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1F,OIYJYFAQZUZRIP-UHFFFAOYSA-N,2,1,0.449,73,379,455.816,2.887,5,0.372,0.58,1.0,0.6722380234391063,0.7065999588787609,0.422529298882873,0.4715578096086629,0.5682312727023509
EOS-2-10375,FC(F)n1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1,NVJFNXCQTKHGPB-UHFFFAOYSA-N,2,1,0.478,36,208,455.816,3.467,5,0.383,0.61,1.0,0.5359553834555548,0.6282725652799671,0.5906980330340621,0.5781646220272771,0.5832726509492153
EOS-2-10376,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c(F)c1,AMMGQYPAZATACT-UHFFFAOYSA-N,2,1,0.429,73,79,455.816,2.887,5,0.372,0.61,1.0,0.5233106024261531,0.6096737715029813,0.48667843191008153,0.5360410527037215,0.5389259646357343
EOS-2-10377,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)nc2F)n1,JPYMQUDBOZRWRJ-UHFFFAOYSA-N,2,1,0.354,46,223,455.816,2.887,5,0.294,0.59,1.0,0.4877921321362484,0.5062281543417175,0.38616270303611816,0.4083510383112878,0.44713350695634296
EOS-2-10378,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1,CHLLWQYKWNJYQM-UHFFFAOYSA-N,2,1,0.447,92,468,455.816,3.467,5,0.383,0.68,1.0,0.39711979987663626,0.5860547597834281,0.6361541361113014,0.590569529161812,0.5524745562332944
EOS-2-10379,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)c(F)cn4)n23)cc1F,NQPUSJDWGUCOQM-UHFFFAOYSA-N,2,1,0.523,36,728,455.816,2.887,5,0.398,0.62,1.0,0.5788585429374272,0.7295336166129806,0.5415410184360222,0.6208279076142827,0.6176902714001782
EOS-2-10380,FC(F)c1ccc(-c2nnc3cncc(OCc4ccn(-c5nccc(Cl)n5)n4)n23)cn1,SAPALRCQGNGKAP-UHFFFAOYSA-N,2,1,0.468,27,69,455.816,3.332,5,0.359,0.69,1.0,0.3129668974025084,0.4351740799122747,0.49328353094373245,0.4684651497498458,0.42747241450209034
EOS-2-10381,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)c(F)c1,NURZXQMENNOTOA-UHFFFAOYSA-N,2,1,0.489,36,526,455.816,2.887,5,0.398,0.67,1.0,0.5678586114728257,0.6868274964018916,0.4727743129326297,0.5687924062778426,0.5740632067712974
EOS-2-10382,FC(F)n1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cn1,CZMFTXIZXRPQSP-UHFFFAOYSA-N,2,1,0.418,27,617,455.816,3.467,5,0.383,0.65,1.0,0.5514872181481736,0.5807604002467275,0.6676632855870057,0.6323932561167843,0.6080760400246727
EOS-2-10383,Cn1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(-c2cc(F)c(F)cn2)n1,VXDARFCEYPJRJY-UHFFFAOYSA-N,2,1,0.42,51,196,455.816,2.887,5,0.398,0.59,1.0,0.40551538619697075,0.3981735316290864,0.382504626139401,0.45279624426016035,0.4097474470564046
EOS-2-10384,Cn1nnc(-c2cc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)n1,LOUIRZITCKLUDJ-UHFFFAOYSA-N,2,1,0.506,36,446,455.816,2.887,5,0.398,0.64,1.0,0.6691196628058392,0.7991741484476732,0.4966760331711329,0.5936964567198958,0.6396665752861352
EOS-2-10385,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cn1,HVMKAPYPDDHEFA-UHFFFAOYSA-N,2,1,0.411,51,196,455.816,3.467,5,0.383,0.66,1.0,0.4755242957987801,0.6144712494003153,0.5939620313892126,0.5490970461243232,0.5582636556781577
EOS-2-10386,FC(F)n1cc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,SAFNNMKLKNXYDU-UHFFFAOYSA-N,2,1,0.404,92,182,455.816,3.467,5,0.358,0.6,1.0,0.40133472688643684,0.4258618326365568,0.7388287300390651,0.6934154615859092,0.564860187786992
EOS-2-10387,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2F)n1,ZTBWTIAJSLZZOY-UHFFFAOYSA-N,2,1,0.449,73,379,455.816,2.887,5,0.372,0.66,1.0,0.6993609074086766,0.7390257693098485,0.4186227811664725,0.4558203687204441,0.5782074566513604
EOS-2-10388,Cn1nc(-c2ncc(Cl)cn2)nc1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,UDMNQHFBVDXBHZ-UHFFFAOYSA-N,2,1,0.518,73,82,455.816,2.887,5,0.398,0.65,0.994,0.7145586320334453,0.830357754780344,0.21395038037146186,0.3574292372010143,0.5290740010965663
EOS-2-10389,Cn1nc(-c2ncc(Cl)cn2)nc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,AJOFPBISZFWAPS-UHFFFAOYSA-N,2,1,0.512,73,446,455.816,2.887,5,0.398,0.6,0.969,0.5788671098622439,0.7781423480227537,0.1798454526763073,0.335155232677678,0.4680025358097457
EOS-2-10390,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1F,MUWFZEDLGZVIQA-UHFFFAOYSA-N,2,1,0.461,73,379,455.816,2.887,5,0.372,0.58,1.0,0.604884860530464,0.6282811322047838,0.4932920978685491,0.5429802618052224,0.5673595881022548
EOS-2-10391,Cc1cc(F)cc(-c2nn(C)cc2-c2cncc3nnc(-c4cc(Cl)c(F)cc4F)n23)n1,UJMACDJRWSAFEF-UHFFFAOYSA-N,2,1,0.309,45,844,455.831,4.633,5,0.371,0.66,1.0,0.17124426016037284,0.39318758138578574,0.8830272085532177,0.9076314166266877,0.5887726166815159
EOS-2-10392,Cn1nc(-c2nc(CO)n(C)n2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3F)n12,OKVUGLQWDHRADB-UHFFFAOYSA-N,2,1,0.462,36,292,455.841,2.397,5,0.429,0.63,0.963,0.4100815571242547,0.6192344595983825,0.11304057295593174,0.1807021451579741,0.33076468370913575
EOS-2-10393,COc1cc(-c2nnc3cncc(OCc4cc5c(F)c(F)ccc5n4C)n23)ccc1Cl,HNPSEXATRZOYKK-UHFFFAOYSA-N,2,1,0.462,34,67,455.852,4.802,5,0.381,0.73,1.0,0.9193595367007059,0.94966074977726,0.9581848399698444,0.9372901103419916,0.9411238091974504
EOS-2-10394,OCc1nnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)s1,JEXURBLNRNAMTJ-UHFFFAOYSA-N,2,1,0.467,13,110,455.862,3.782,5,0.426,0.59,0.992,0.5438198204372559,0.6623603591254883,0.41863134809128916,0.5224453430196696,0.5368142176684256
EOS-2-10395,ClCc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)no1,FPVUHBPKNLSFCR-UHFFFAOYSA-N,2,1,0.322,69,867,455.865,4.902,6,0.337,0.77,1.0,0.2540692892879172,0.23428825988623123,0.4587502570077445,0.48961688712219864,0.3591811733260229
EOS-2-10396,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)o5)n34)cc2)o1,YDEUJKJGORUMAU-UHFFFAOYSA-N,2,1,0.377,3,641,455.865,5.125,6,0.36,0.72,1.0,0.31297546432732504,0.547400795010623,0.5246556096223699,0.57504626139401,0.490019532588582
EOS-2-10397,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)c(Cl)c5)n34)cc2)o1,KPRYUNLUENDUEQ-UHFFFAOYSA-N,2,1,0.342,9,152,455.865,5.125,6,0.36,0.68,1.0,0.31298403125214175,0.41709786854910563,0.5650743609074087,0.5845212802412446,0.4699193852374751
EOS-2-10398,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6Cl)o5)n34)cc2)o1,QSKKOGGLMONHDD-UHFFFAOYSA-N,2,1,0.35,93,641,455.865,5.125,6,0.36,0.69,1.0,0.3252947022136934,0.4921955314920156,0.48668699883489824,0.5523353437050237,0.4641281440614078
EOS-2-10399,COc1nc(-c2nnc3cncc(Oc4cc(C#N)ccc4Cl)n23)ccc1-c1ccccn1,IIIFDKLVLSDVQJ-UHFFFAOYSA-N,2,1,0.388,49,703,455.865,4.574,5,0.378,0.67,1.0,0.7741587279830032,0.7158693715303954,0.710283736549928,0.669873552189706,0.7175463470632581
EOS-2-10400,COc1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)ccc1-c1cnc(C#N)cn1,VDXVKYVPBRZCMQ-UHFFFAOYSA-N,2,1,0.462,13,209,455.865,4.574,5,0.378,0.78,1.0,0.7713487766431362,0.7948392844904393,0.8044171064354739,0.7548403125214174,0.7813613700226167
EOS-2-10401,COc1nccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)cc2)n1,XYZSFEUWIMJXFO-UHFFFAOYSA-N,2,1,0.494,1,374,455.865,4.574,5,0.378,0.78,1.0,0.9219638818449729,0.9091134946199713,0.7984373929134397,0.7369097388801316,0.8416061270646289
EOS-2-10402,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)ncn2)nc1,ILASBGRBGIAPIK-UHFFFAOYSA-N,2,1,0.389,31,481,455.866,2.909,5,0.381,0.65,0.99,0.4191539305051059,0.452496401891577,0.08072613254746076,0.17778082379549037,0.2825393221849085
EOS-2-10403,Fc1ncncc1-c1cc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)ccn1,ZFMGOPZXBWSZBQ-UHFFFAOYSA-N,2,1,0.462,75,779,455.866,2.909,5,0.356,0.62,1.0,0.5128332533753683,0.5954184086080461,0.12190734014118292,0.2148670413268453,0.3612565108628607
EOS-2-10404,FCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ncn2)s1,ADBOPMZKPHJATF-UHFFFAOYSA-N,2,1,0.392,46,395,455.866,3.197,5,0.38,0.61,0.941,0.43752998423685835,0.43941470769652524,0.11607326434103214,0.1563720786786375,0.2873475087382633
EOS-2-10405,Cc1ncc(-c2nnc3cncc(OCc4ncc(F)c(-c5ncc(Cl)s5)n4)n23)cn1,BSRXVNROLPRWQD-UHFFFAOYSA-N,2,1,0.404,51,48,455.866,3.175,5,0.393,0.7,1.0,0.6535963950380371,0.7066085258035776,0.08313343842094442,0.11687855527379892,0.3900542286340895
EOS-2-10406,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2F)s1,YFPZTKCRNWJWNE-UHFFFAOYSA-N,2,1,0.377,53,94,455.866,3.175,5,0.368,0.66,0.997,0.48780069906106505,0.5380028784867384,0.11304913988074841,0.16173497361387157,0.3251469227606059
EOS-2-10407,Cn1ncc(-c2nnc3cncc(-c4nnc(-c5cccnc5Cl)o4)n23)c1-c1ccccc1,KOVGEWCFYGCBAD-UHFFFAOYSA-N,2,1,0.342,30,541,455.869,3.957,6,0.367,0.57,0.972,0.16320848468233842,0.19972071825097662,0.179854019601124,0.297375094236173,0.21003957919265298
EOS-2-10408,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)no1,YWAUMWVXXCDSRF-UHFFFAOYSA-N,2,1,0.354,10,314,455.869,3.957,6,0.392,0.67,1.0,0.12752724282091701,0.24501404975669933,0.307792474813241,0.4369560002741416,0.2793224419162498
EOS-2-10409,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cc2)o1,AXIVJAJPUDOQMU-UHFFFAOYSA-N,2,1,0.318,3,150,455.869,4.051,6,0.366,0.69,1.0,0.028030978000137072,0.16529881433760538,0.33392159550407785,0.3704680967719827,0.22442987115345076
EOS-2-10410,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)o5)n34)nc2)n[nH]1,XEEKPNGNEFLHLU-UHFFFAOYSA-N,2,1,0.287,3,541,455.869,4.255,6,0.418,0.7,0.257,0.21581796998149544,0.38863854430813516,0.3262798985676102,0.41165787129052156,0.3355985710369406
EOS-2-10411,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)c1-c1cccc(Cl)c1,OZEIZHWJIOBKQE-UHFFFAOYSA-N,2,1,0.361,42,693,455.869,3.957,6,0.392,0.71,1.0,0.18841237749297512,0.31146768555959153,0.35234905078473033,0.4495151120553766,0.3254360564731684
EOS-2-10412,Cn1cc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)c(-c2cccc(Cl)n2)n1,ISONNMCKUJRTHK-UHFFFAOYSA-N,2,1,0.325,30,541,455.869,3.957,6,0.367,0.74,0.523,0.14961277499828662,0.16921389897882255,0.15743437735590432,0.26174525392365156,0.18450157631416625
EOS-2-10413,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6nccc(Cl)n6)c5)n34)cc2)o1,VRXIXGWGMKTLKF-UHFFFAOYSA-N,2,1,0.308,42,150,455.869,4.051,6,0.366,0.67,1.0,0.04129257761633884,0.1951802480981427,0.3486909738880132,0.3641114385580152,0.2373188095401275
EOS-2-10414,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnc(Cl)cn6)c5)n34)cc2)o1,CHDBHYRPSODSJO-UHFFFAOYSA-N,2,1,0.33,42,150,455.869,4.051,6,0.391,0.75,1.0,0.029187512850387225,0.22955075046261395,0.42253786580768965,0.42430265231992326,0.2763946953601535
EOS-2-10415,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4Cl)n23)cn1,FMLWVOSYKNNDQS-UHFFFAOYSA-N,2,1,0.307,42,369,455.869,3.957,6,0.392,0.7,0.999,0.21876499211842917,0.245022616681516,0.40800836131862106,0.4464995545199095,0.32957388115961894
EOS-2-10416,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)nc1C#N,XSAXANXNKVMQMG-UHFFFAOYSA-N,2,1,0.427,46,122,455.869,3.451,5,0.366,0.63,1.0,0.5904495922143788,0.6477623192378864,0.330023644712494,0.3131810705229251,0.47035415667192104
EOS-2-10417,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)o4)n23)cc1,RPHCADBWTFBJHB-UHFFFAOYSA-N,2,1,0.321,38,42,455.869,3.957,6,0.367,0.73,1.0,0.24089335891988212,0.3307689671715441,0.3154341717497087,0.367495373860599,0.3136479679254335
EOS-2-10418,Cn1nc(-c2cnco2)cc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,BHEJSCAQSQJYDH-UHFFFAOYSA-N,2,1,0.333,38,63,455.869,3.957,6,0.392,0.71,0.999,0.20222226029744364,0.2342968268110479,0.39351312452881915,0.4339661435131245,0.3159995887876088
EOS-2-10419,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncc(Cl)n6)c5)n34)cc2)o1,MKFVOOVCIXFTII-UHFFFAOYSA-N,2,1,0.364,42,150,455.869,4.051,6,0.391,0.68,1.0,0.03676924131313824,0.1997292851757933,0.414921869645672,0.4243112192447399,0.26893290384483587
EOS-2-10420,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2Cl)o1,SDHWYMLOPGZDAL-UHFFFAOYSA-N,2,1,0.265,10,195,455.869,4.051,6,0.366,0.68,0.643,0.01938695086011925,0.12460592145843329,0.23170961551641422,0.3101997806867247,0.17147556713042286
EOS-2-10421,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccno5)c(Cl)c4)n23)nc1,XARAOKUNKCRIPF-UHFFFAOYSA-N,2,1,0.333,42,314,455.869,3.957,6,0.392,0.74,1.0,0.22136077033787951,0.2755551367281201,0.4295798780069906,0.49577650606538276,0.35556807278459324
EOS-2-10422,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)cn1,NPKUGRJDFYHVEX-UHFFFAOYSA-N,2,1,0.489,87,132,455.869,3.185,5,0.379,0.67,1.0,0.782879857446371,0.8475772736618463,0.42958844493180726,0.45280481118497706,0.6282125968062504
EOS-2-10423,Clc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3nnc4ccccn34)n12,LURAQEMTHNTKSS-UHFFFAOYSA-N,2,1,0.426,81,820,455.869,3.523,6,0.388,0.75,1.0,0.5286906312110204,0.6574515112055377,0.322673223219793,0.44311561921732573,0.48798274621341925
EOS-2-10424,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(Cl)ccn6)nn5)n34)cc2)o1,CSOJJGAVQPYHNP-UHFFFAOYSA-N,2,1,0.321,38,303,455.869,4.051,6,0.391,0.65,1.0,0.026917277773970256,0.19059694332122543,0.3789664861901172,0.43397471043794117,0.2576138544308135
EOS-2-10425,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6c[nH]nn6)cc5Cl)n34)cc2)o1,AYWJANLRGUOSKZ-UHFFFAOYSA-N,2,1,0.306,42,303,455.869,4.255,6,0.418,0.68,1.0,0.2595435542457679,0.3646768555959153,0.5212202727708861,0.5390823110136386,0.42113074840655196
EOS-2-10426,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)nc1Cl,ATQPDHQBKONLRI-UHFFFAOYSA-N,2,1,0.32,38,787,455.869,3.957,6,0.392,0.72,1.0,0.205049345486944,0.3261085600712768,0.24243540538688232,0.2764203961346035,0.26250342676992666
EOS-2-10427,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccno6)cc5Cl)n34)nc2)n1,MWKWBZMSYFBWQJ-UHFFFAOYSA-N,2,1,0.321,42,572,455.869,3.957,6,0.392,0.69,0.76,0.1912908642313755,0.28051538619697075,0.4727828798574464,0.5058683434994174,0.3626143684463025
EOS-2-10428,N#Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,ZOTJBDAWJDDAHW-UHFFFAOYSA-N,2,1,0.438,18,840,455.869,3.185,5,0.354,0.68,1.0,0.6931755876910424,0.7295421835377973,0.4796449866355973,0.4684737166746625,0.5927091186347749
EOS-2-10429,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(Cl)cc6)n5)n34)cc2)o1,BNEKVRPHRHUBLZ-UHFFFAOYSA-N,2,1,0.346,3,158,455.869,4.051,6,0.391,0.7,1.0,0.09142622164347886,0.30631039681995753,0.30440853951065727,0.39897025563703653,0.2752788534027825
EOS-2-10430,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6Cl)n5)n34)cc2)n1,BRNINUMOUWWTJG-UHFFFAOYSA-N,2,1,0.314,3,289,455.869,4.051,6,0.391,0.72,1.0,0.09369645671989582,0.2498971969022,0.2496573230073333,0.3382735933109451,0.23288114248509356
EOS-2-10431,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)[nH]5)n34)cc2)o1,HHRKNGGNRZEENF-UHFFFAOYSA-N,2,1,0.303,9,303,455.869,4.255,6,0.391,0.61,0.984,0.23545336166129807,0.40297957645123705,0.42618737577959015,0.46227126310739497,0.38172289424988004
EOS-2-10432,Cc1cc(-c2cc(Cl)c(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)on1,BZNSBSGYOALFMN-UHFFFAOYSA-N,2,1,0.287,42,7,455.869,4.255,6,0.418,0.69,1.0,0.2674251250771023,0.35031012267836337,0.42959701185662397,0.465261119868412,0.3781483448701254
EOS-2-10433,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)no4)n23)cc1,QKDSERFWDXOZFC-UHFFFAOYSA-N,2,1,0.444,9,642,455.869,3.957,6,0.392,0.79,1.0,0.2728051538619697,0.4568655335480776,0.2897847988486053,0.3989788225618532,0.35460857720512645
EOS-2-10434,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)o5)n34)cc2)n[nH]1,GNWXJCGNCFGMOC-UHFFFAOYSA-N,2,1,0.372,3,641,455.869,4.255,6,0.418,0.73,1.0,0.22710060996504694,0.47895963265026387,0.30055342334315677,0.3864197107806182,0.3482583441847715
EOS-2-10435,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cn4)n23)c1,CAAUIPYRNCQLPB-UHFFFAOYSA-N,2,1,0.5,6,826,455.869,3.523,6,0.388,0.71,1.0,0.4307364128572408,0.570377287368926,0.3154427386745254,0.4147847988486053,0.43283530943732434
EOS-2-10436,Cn1nc(-c2nnc(-c3ccccn3)o2)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,MTYZIYJOTNAKAN-UHFFFAOYSA-N,2,1,0.395,3,541,455.869,3.957,6,0.392,0.72,0.999,0.18555102460420808,0.4123860598999383,0.2070454389692276,0.3222534439037763,0.2818089918442876
EOS-2-10437,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cn1,XDPRUURLUPPXFR-UHFFFAOYSA-N,2,1,0.511,87,282,455.869,3.185,5,0.379,0.7,0.999,0.8588684805702145,0.9110324857789048,0.42254643273250636,0.42431978616955657,0.6541917963127956
EOS-2-10438,Cc1cc(Cl)nnc1-c1cnc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)nc1,YAXUEXWNAFAAGB-UHFFFAOYSA-N,2,1,0.511,89,946,455.869,3.451,5,0.391,0.7,1.0,0.8635802892193818,0.8955777534096361,0.43718730724419164,0.4558289356452608,0.6630435713796176
EOS-2-10439,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)cn1,QQDGABYBIRUHDK-UHFFFAOYSA-N,2,1,0.292,98,154,455.873,3.087,6,0.429,0.69,1.0,0.21061784661777808,0.2859296826811048,0.2389058323624152,0.3036375162771571,0.25977271948461383
EOS-2-10440,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,OXBURDQZDQYLGE-UHFFFAOYSA-N,2,1,0.35,25,973,455.873,2.883,6,0.398,0.69,1.0,0.04859159756013981,0.2703721472140361,0.16392810636693853,0.28240010965663764,0.19132299019943802
EOS-2-10441,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncc(Cl)cn6)nn5)n34)cc2)n[nH]1,ZXQWMOYWTMXGLD-UHFFFAOYSA-N,2,1,0.296,98,618,455.873,3.181,6,0.429,0.64,1.0,0.022436776094852992,0.12815262833253374,0.16690082927832225,0.23503358234528135,0.13813095401274758
EOS-2-10442,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(Cl)c2)n1,YWOHDDWAHBLPKH-UHFFFAOYSA-N,2,1,0.31,25,7,455.873,3.087,6,0.429,0.63,1.0,0.2242135563018299,0.30121307655404017,0.25334110067850046,0.3382821602357618,0.2792624734425331
EOS-2-10443,Cn1cc(-c2ncn(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)n6)cc5)n34)n2)cn1,OPFDRGPSOYDASN-UHFFFAOYSA-N,2,1,0.356,98,882,455.873,2.883,6,0.372,0.69,1.0,0.004351997806867247,0.11459975327256527,0.1964567198958262,0.2321122609827976,0.13688018298951407
EOS-2-10444,Cn1nc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1Cl,RPRUVTSPFXHQEB-UHFFFAOYSA-N,2,1,0.321,98,167,455.873,3.087,6,0.429,0.55,1.0,0.14387293537111917,0.239968131039682,0.22428209170036323,0.2794873552189706,0.22190262833253374
EOS-2-10445,Cn1cc(-c2nnc3cncc(-c4nnn(-c5cccc(Cl)c5)n4)n23)c(-c2ccccn2)n1,IFQCWMWFEWCHEM-UHFFFAOYSA-N,2,1,0.305,10,952,455.873,2.883,6,0.398,0.57,0.959,0.002912754437667055,0.09564114865327941,0.06990610650400932,0.16421938181070522,0.08316984785141525
EOS-2-10446,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,XPGMLWNUXCSMSS-UHFFFAOYSA-N,2,1,0.325,8,474,455.873,3.087,6,0.401,0.65,1.0,0.1712528270851895,0.24503118360633266,0.09486155849496265,0.18345212802412447,0.17364942430265232
EOS-2-10447,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5nn[nH]n5)cc4Cl)n23)cc1,UAXLJOMRGXZSIZ-UHFFFAOYSA-N,2,1,0.313,98,42,455.873,3.087,6,0.429,0.72,1.0,0.23245493797546432,0.255028784867384,0.282622849701871,0.3479884860530464,0.27952376464944145
EOS-2-10448,Cn1cc(-c2cc(Cl)c(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cn2)cn1,LMYUZKVFOMXRDC-UHFFFAOYSA-N,2,1,0.284,86,968,455.873,3.087,6,0.429,0.64,1.0,0.15503563840723733,0.25991193201288465,0.29331437187307247,0.3285072990199438,0.25919231032828455
EOS-2-10449,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4c[nH]nn4)nc3)n12,MWBNJUVZXVMYJJ-UHFFFAOYSA-N,2,1,0.376,8,474,455.873,3.087,6,0.429,0.59,0.998,0.09143478856829552,0.28593824960592146,0.13600849838941814,0.2646922760605853,0.19451845315605512
EOS-2-10450,Cc1nc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n[nH]1,KPDFAFDGAFBXQR-UHFFFAOYSA-N,2,1,0.317,98,7,455.873,3.385,6,0.412,0.65,1.0,0.25660509903365086,0.34568398327736277,0.24244397231169898,0.29738366116098963,0.28552917894592555
EOS-2-10451,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)c1-c1ccc(Cl)cn1,FWHIGYZAZAPVHR-UHFFFAOYSA-N,2,1,0.284,70,968,455.873,3.087,6,0.429,0.47,0.998,0.1465029812898362,0.24503975053114935,0.24245253923651566,0.31912651634569256,0.23828044685079844
EOS-2-10452,Cn1nnnc1-c1cc(Cl)cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,VJZZFXHYTUWYIU-UHFFFAOYSA-N,2,1,0.314,25,508,455.873,3.087,6,0.429,0.63,1.0,0.1383901034884518,0.2599204989377013,0.2604002467274347,0.3608988417517648,0.2549024227263381
EOS-2-10453,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5sccc5Cl)c4)n23)c1F,ROZZEDFUROFTJX-UHFFFAOYSA-N,2,1,0.537,59,910,455.877,5.425,5,0.354,0.71,1.0,0.9092934000411212,0.8771759989034337,0.9300767596463574,0.9414964704269755,0.914510657254472
EOS-2-10454,FC(F)Oc1ccc(-c2ccc(-c3cncc4nnc(-c5ccccc5Cl)n34)s2)nc1,KBBFBMFQDSUOEC-UHFFFAOYSA-N,2,1,0.419,76,140,455.877,5.837,5,0.333,0.74,0.972,0.5386025632239051,0.8227760263175931,0.9365619217325749,0.9484442464532932,0.8115961894318415
EOS-2-10455,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,AJBHZTMOSSTHPB-UHFFFAOYSA-N,2,1,0.524,59,577,455.877,5.425,5,0.331,0.73,1.0,0.8931361798368858,0.8303663217051607,0.9441522171201425,0.9484528133781098,0.9040268830100747
EOS-2-10456,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)s5)c(F)cn4)n23)cc1,XYTAGVXQANBHNH-UHFFFAOYSA-N,2,1,0.561,34,232,455.877,5.425,5,0.354,0.71,1.0,0.9509886231238435,0.9496693167020767,0.9222894249880063,0.9364162840106915,0.9398409122061544
EOS-2-10457,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c1Cl,MAVRGVLIKMVBTN-UHFFFAOYSA-N,2,1,0.518,57,962,455.877,5.425,5,0.331,0.74,1.0,0.9061322047837708,0.8716846000959496,0.930085326571174,0.9356024261531081,0.9108761394010007
EOS-2-10458,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3cccc(-c4nccs4)c3)n12,FDWRHVHDWJIAJE-UHFFFAOYSA-N,2,1,0.518,57,962,455.877,5.425,5,0.331,0.8,1.0,0.9138253032691385,0.8742803783154,0.9300938934959907,0.9337177026934411,0.9129793194434925
EOS-2-10459,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cc(F)c1Cl,WVQDMBPOXRJTPG-UHFFFAOYSA-N,2,1,0.671,59,71,455.877,5.425,5,0.331,0.7,1.0,0.7741672949078199,0.9047614968131039,0.9466023576177095,0.9492324035364266,0.8936908882187651
EOS-2-10460,OCc1c(F)cc(-c2nc(Cl)ccc2-c2nnc3cncc(-c4cccs4)n23)cc1F,FKKFMFRUOWEUBE-UHFFFAOYSA-N,2,1,0.298,96,140,455.877,5.006,5,0.386,0.64,0.998,0.4077941881982044,0.6144798163251319,0.9126859022685216,0.9346943321225413,0.7174135597285998
EOS-2-10461,Fc1ccc(F)c(COc2cncc3nnc(-c4csc(-c5ccc(Cl)cn5)c4)n23)c1,XXNGTVXTMIWGDZ-UHFFFAOYSA-N,2,1,0.494,59,109,455.877,5.425,5,0.354,0.66,1.0,0.7741758618326365,0.7158779384552121,0.9293057364128572,0.9454715235419094,0.8412077650606538
EOS-2-10462,Fc1cccc(-c2ccncc2-c2nnc3cncc(OCc4cc(Cl)c(F)s4)n23)c1,RVMKNUUTVFLSRD-UHFFFAOYSA-N,2,1,0.529,59,71,455.877,5.425,5,0.354,0.57,0.994,0.7329860873140978,0.8440048660132958,0.920181961483106,0.9381211020492084,0.858823504214927
EOS-2-10463,Fc1ccc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1F,NCCCCSSXQXOFDY-UHFFFAOYSA-N,2,1,0.603,57,461,455.877,5.425,5,0.354,0.79,1.0,0.9321585223768076,0.9698444246453293,0.9028082379549037,0.9313532314440408,0.9340411041052704
EOS-2-10464,OCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)o1,FHEYTAABRCJPFP-UHFFFAOYSA-N,2,1,0.479,58,954,455.887,3.065,5,0.394,0.64,0.998,0.5619645671989583,0.662368926050305,0.12445171681173325,0.16174354053868822,0.3776321876499212
EOS-2-10465,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)o1,OCWIJJOHJWXNIW-UHFFFAOYSA-N,2,1,0.474,58,954,455.887,3.581,5,0.363,0.7,0.997,0.7176769926667124,0.7204098416832294,0.1271245973545336,0.1258224247824001,0.42275846412171886
EOS-2-10466,COc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)no1,HWEXEMDMALNMKC-UHFFFAOYSA-N,2,1,0.489,87,510,455.887,3.581,5,0.363,0.69,1.0,0.6476252484408197,0.6868360633267082,0.11608183126584881,0.11688712219861558,0.3918575663079981
EOS-2-10467,COc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nn2C)s1,QUCMGYGSKBTIDQ-UHFFFAOYSA-N,2,1,0.4,7,694,455.891,2.679,5,0.38,0.57,0.703,0.17979405112740732,0.21915050373517922,0.054142964841340555,0.041900829278322255,0.12374708724556233
EOS-2-10468,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1F,WQFHATFPEAVJBR-UHFFFAOYSA-N,2,1,0.5,37,639,455.906,4.062,5,0.384,0.71,1.0,0.7388458638886986,0.782468645055171,0.5449335206634227,0.6056301829895141,0.6679695531492016
EOS-2-10469,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c(F)c2)n1,NUNRXRJDOMBSGM-UHFFFAOYSA-N,2,1,0.585,37,626,455.906,4.062,5,0.384,0.59,1.0,0.6903399355767253,0.7480210403673497,0.5074103899664176,0.5429888287300391,0.6221900486601329
EOS-2-10470,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnsc4Cl)n23)c(F)c1,QKCLKCWEWWSLHN-UHFFFAOYSA-N,2,1,0.56,26,619,455.906,4.062,5,0.384,0.62,1.0,0.6388955520526352,0.6424508258515523,0.5415495853608389,0.5905780960866287,0.6033685148379138
EOS-2-10471,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)[nH]c1F,YBECYFMEQSDXQK-UHFFFAOYSA-N,2,1,0.5,75,239,455.906,4.36,5,0.409,0.51,0.999,0.779864299910904,0.7910527037214722,0.41493043657048867,0.4465081214447262,0.6080888904118977
EOS-2-10472,FCCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)cn1,AEIVZNHQQBNVMD-UHFFFAOYSA-N,2,1,0.484,92,329,455.906,4.313,5,0.363,0.71,1.0,0.3677352477554657,0.4303594681653074,0.422554999657323,0.45583750257007744,0.4191218045370434
EOS-2-10473,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cc4)n23)cc1-c1cnc(CF)s1,SOHKKUNUOKXVOG-UHFFFAOYSA-N,2,1,0.523,95,998,455.906,4.35,5,0.378,0.69,0.999,0.3424970872455623,0.35031868960318,0.337219861558495,0.4213641971078062,0.36284995887876087
EOS-2-10474,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4sc(Cl)cc4F)n23)cn1,AWKIVXXVHHKDAL-UHFFFAOYSA-N,2,1,0.406,55,823,455.906,4.503,5,0.375,0.7,1.0,0.6019035706942636,0.60016448495648,0.49330066479336576,0.4957850729901994,0.5477884483585772
EOS-2-10475,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)nn2C)s1,BTOCEERWRBJTJG-UHFFFAOYSA-N,2,1,0.568,95,998,455.906,4.328,5,0.392,0.64,0.995,0.42616167500514013,0.3981820985539031,0.43347782879857444,0.4804417106435474,0.4345658282502913
EOS-2-10476,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2F)n1,CDPWTUGRMCWTOB-UHFFFAOYSA-N,2,1,0.432,31,237,455.906,4.062,5,0.359,0.58,1.0,0.6299688163936673,0.6144883832499486,0.42256356658213967,0.4528133781097937,0.5299585360838873
EOS-2-10477,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)n1,ZTYLJQOWTLSVJN-UHFFFAOYSA-N,2,1,0.505,37,563,455.906,4.36,5,0.409,0.69,1.0,0.9108354465081214,0.8742889452402166,0.5037865807689672,0.5491056130491399,0.7095041463916113
EOS-2-10478,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1F,ZUWQMLARGFIBQR-UHFFFAOYSA-N,2,1,0.511,36,908,455.906,4.503,5,0.375,0.65,1.0,0.6133489822493318,0.7343653622095813,0.47965355356041395,0.5390908779384552,0.5916146939894456
EOS-2-10479,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)c2)[nH]c1F,VKUYMEYYRYABNN-UHFFFAOYSA-N,2,1,0.495,15,563,455.906,4.36,5,0.409,0.59,1.0,0.6273216366253169,0.72498457953533,0.34869954081282983,0.40835960523610443,0.5273413405523952
EOS-2-10480,FCCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,XNIQCOXFMDZEMS-UHFFFAOYSA-N,2,1,0.432,2,905,455.906,4.313,5,0.363,0.69,0.996,0.43074497978205745,0.4482729079569598,0.4866955657597149,0.5161058186553354,0.47045481803851685
EOS-2-10481,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1cncc(F)c1,VFVRXMDQVUEOIE-UHFFFAOYSA-N,2,1,0.423,95,235,455.906,4.062,5,0.384,0.67,0.999,0.5438283873620725,0.470084298540196,0.4296055787814406,0.5058769104242341,0.4873487937769858
EOS-2-10482,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)nc1F,DGMVTPUXJJRICP-UHFFFAOYSA-N,2,1,0.432,31,814,455.906,4.062,5,0.359,0.58,0.863,0.7329946542389144,0.642459392776369,0.4694503461037626,0.4957936399150161,0.5851745082585155
EOS-2-10483,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1-c1cncs1,KYDYECNQFBNLAF-UHFFFAOYSA-N,2,1,0.529,95,998,455.906,4.062,5,0.384,0.63,0.997,0.39923583030635323,0.37446028373654994,0.5037951476937839,0.5845298471660613,0.465505277225687
EOS-2-10484,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)sc5Cl)n34)cn2)c1,KMUSFAKGJPFWPR-UHFFFAOYSA-N,2,1,0.505,58,823,455.906,4.062,5,0.384,0.62,1.0,0.7596891919676513,0.7653690631211021,0.5145380714138853,0.5161143855801521,0.6389276780206977
EOS-2-10485,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1ccc(F)nc1,OALBEBPJGNIPLW-UHFFFAOYSA-N,2,1,0.452,95,235,455.906,4.062,5,0.359,0.67,1.0,0.5233191693509698,0.5197210609279693,0.4371958741690083,0.4958022068398328,0.494009577821945
EOS-2-10486,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5csc(Cl)c5)n34)nc2F)n1,UVVSQPKAGAQMCW-UHFFFAOYSA-N,2,1,0.429,31,773,455.906,4.062,5,0.359,0.56,1.0,0.5592317181824412,0.5566102391885409,0.4796621204852306,0.4926324446576657,0.5220341306284696
EOS-2-10487,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)n1,DVDXKGVGOZPKNJ-UHFFFAOYSA-N,2,1,0.528,37,563,455.906,4.062,5,0.384,0.69,1.0,0.8182526900143924,0.8406294976355287,0.4622027277088616,0.5058854773490508,0.6567425981769583
EOS-2-10488,Cn1nc(-c2nnc3cncc(OCCc4nccs4)n23)cc1-c1ccc(Cl)c(F)c1,DKOWECBECREDHI-UHFFFAOYSA-N,2,1,0.545,95,266,455.906,4.062,5,0.384,0.69,0.999,0.5053457610856007,0.5243386334041532,0.3935216914536358,0.48659276266191487,0.47744971215132614
EOS-2-10489,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1F,YPTPVBVANMHMPO-UHFFFAOYSA-N,2,1,0.506,37,475,455.906,4.062,5,0.384,0.66,1.0,0.726946405318347,0.7480296072921664,0.5415581522856555,0.5965321088342129,0.6532665684325955
EOS-2-10490,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c(F)c1,UJGVFCJMIPSJNF-UHFFFAOYSA-N,2,1,0.494,37,475,455.906,4.062,5,0.384,0.66,1.0,0.7114145706257282,0.7204184086080461,0.5313292440545542,0.5874940031526283,0.6376640566102392
EOS-2-10491,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1-c1cncs1,YCXYYMOOGOXRCD-UHFFFAOYSA-N,2,1,0.617,95,381,455.906,4.062,5,0.384,0.6,1.0,0.43983448701254196,0.3744688506613666,0.5313378109793708,0.587502570077445,0.48328592968268114
EOS-2-10492,Cn1nc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)cc1-c1ccc(Cl)cc1,ZOOCGSNORGJBQP-UHFFFAOYSA-N,2,1,0.634,19,266,455.909,4.338,5,0.378,0.81,1.0,0.717685559591529,0.7018453156055102,0.7513021725721335,0.7819117949420876,0.7381862106778151
EOS-2-10493,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)nc2)o1,ZCTBYZNSDXFZAR-UHFFFAOYSA-N,2,1,0.347,32,479,455.93,6.495,6,0.303,0.72,1.0,0.23546192858611473,0.412394626824755,0.8393530258378452,0.8704423959975327,0.5894129943115619
EOS-2-10494,Clc1cc(-c2ccsc2)nc(-c2cncc3nnc(-c4ccc(-c5ccccc5)o4)n23)c1,WEULEPFBSLYFMN-UHFFFAOYSA-N,2,1,0.304,30,126,455.93,6.495,6,0.303,0.69,1.0,0.1577342197244877,0.2651206223014187,0.7488948666986499,0.8314029196079775,0.5007881570831334
EOS-2-10495,Clc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cs2)cc1,RLSSBIPDFQOVKV-UHFFFAOYSA-N,2,1,0.42,69,479,455.93,6.495,6,0.303,0.78,1.0,0.16862278116647247,0.4525049688163937,0.7937941196628059,0.8555102460420807,0.5676080289219382
EOS-2-10496,Clc1cccc(-c2ncsc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1,YWNPIWMLOCQORV-UHFFFAOYSA-N,2,1,0.345,30,317,455.934,5.421,6,0.355,0.7,1.0,0.0023987389486669866,0.064962990884792,0.534841683229388,0.690348502501542,0.32313797889109724
EOS-2-10497,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)cn2)c1,ZWPYRELMBGPGCH-UHFFFAOYSA-N,2,1,0.33,42,673,455.934,5.421,6,0.355,0.69,0.919,0.01837605373175245,0.17377150298128985,0.7129394832430951,0.7911555068192722,0.4240606366938524
EOS-2-10498,Clc1cccc(-c2cscc2-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cn4)n23)c1,RESLASWJYMTZBB-UHFFFAOYSA-N,2,1,0.31,42,693,455.934,5.625,6,0.372,0.66,0.994,0.15239702556370366,0.3063189637447742,0.7235025015420464,0.8110393393187582,0.4983144575423206
EOS-2-10499,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)nn2)cc1,WKVDTOAELIQTKK-UHFFFAOYSA-N,2,1,0.35,3,783,455.934,5.421,6,0.355,0.78,1.0,0.03292269207045439,0.19973785210060996,0.6761445411555068,0.7865636351175382,0.42384218011102737
EOS-2-10500,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)c1,VSOQZWLBKWKSON-UHFFFAOYSA-N,2,1,0.329,3,668,455.934,5.421,6,0.355,0.75,1.0,0.020389281063669384,0.1864762524844082,0.6949575080529093,0.7653690631211021,0.41679802618052225
EOS-2-10501,COc1cc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)ccc1-c1nccs1,CHONWRXLWMQJSC-UHFFFAOYSA-N,2,1,0.483,97,591,455.952,5.217,5,0.349,0.63,1.0,0.802660886848057,0.7158865053800287,0.6244602837365499,0.5459615516414228,0.6722423069015147
EOS-2-10502,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cscn5)s4)n23)ccc1Cl,MFKMRJFLNZLAIP-UHFFFAOYSA-N,2,1,0.553,24,268,455.952,5.217,5,0.349,0.74,1.0,0.7419984922212323,0.8371341923103283,0.6361627030361181,0.5875111370022617,0.7007016311424851
EOS-2-10503,Oc1sc(Cl)cc1CCOc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,YZOXGYFTSNUZPV-UHFFFAOYSA-N,2,1,0.562,75,496,455.952,4.957,5,0.389,0.52,1.0,0.5815399904050442,0.5520355013364403,0.5002056061956001,0.5126961825783017,0.5366193201288466
EOS-2-10504,COc1cc(-c2nnc3cncc(OCc4csc(-c5ccsc5)n4)n23)ccc1Cl,LNFCIISDCLXLFO-UHFFFAOYSA-N,2,1,0.535,4,67,455.952,5.217,5,0.349,0.73,1.0,0.672246590363923,0.7696353916798027,0.5517699266671235,0.5161229525049689,0.6274437153039545
EOS-2-10505,COc1cc(-c2nnc3cncc(OCc4nc(-c5cccs5)cs4)n23)ccc1Cl,TZIPENLSLGAOAX-UHFFFAOYSA-N,2,1,0.553,24,268,455.952,5.217,5,0.349,0.77,1.0,0.6564491810019876,0.7910612706462888,0.49668460009594956,0.4837057089986978,0.606975190185731
EOS-2-10506,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5scnc5Cl)n34)c2)cs1,QZASIAMBTJEUBV-UHFFFAOYSA-N,2,1,0.5,87,76,455.956,4.35,5,0.376,0.64,1.0,0.6019121376190802,0.6769926667123569,0.15421321362483723,0.19695360153519292,0.4075179048728669
EOS-2-10507,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)s1,BMBSFAHPAHUZIT-UHFFFAOYSA-N,2,1,0.5,58,954,455.956,4.35,5,0.376,0.66,0.998,0.67533925022274,0.8227845932424097,0.12191590706599958,0.16962511137002262,0.44741621547529303
EOS-2-10508,Cc1csc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)n1,BUDSFWFHHRFGOA-UHFFFAOYSA-N,2,1,0.411,31,481,455.956,4.35,5,0.376,0.63,0.932,0.5847011856623946,0.5703858542937427,0.12446028373654992,0.1617521074635049,0.360324857789048
EOS-2-10509,Cc1csc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cnc(C)s5)c4)n23)n1,SGYXAFQAGHMRLR-UHFFFAOYSA-N,2,1,0.524,4,464,455.956,4.616,5,0.357,0.64,1.0,0.4013432938112535,0.5807689671715441,0.13929819751901856,0.14625454047015282,0.31691624974299226
EOS-2-10510,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)s1,SKVFFVCNFXGDSZ-UHFFFAOYSA-N,2,1,0.517,58,241,455.956,4.35,5,0.376,0.65,0.998,0.6564577479268042,0.7390343362346652,0.12446885066136659,0.17498800630525665,0.4237372352820231
EOS-2-10511,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ccn2)s1,SVHQNBLCXGTMNL-UHFFFAOYSA-N,2,1,0.524,75,496,455.956,4.35,5,0.376,0.65,1.0,0.6536049619628538,0.7112432321293949,0.12713316427935029,0.16963367829483927,0.4154037591666096
EOS-2-10512,N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)s1,CXQLTQOHEVYINV-UHFFFAOYSA-N,2,1,0.524,15,438,455.956,4.059,5,0.401,0.51,1.0,0.6783976423822905,0.6001730518812967,0.3115362209581249,0.3446816530738126,0.4836971420738812
EOS-2-10513,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)s1,DUBLBYMMFVMUQG-UHFFFAOYSA-N,2,1,0.427,31,194,455.956,4.35,5,0.376,0.63,0.978,0.5815485573298609,0.5860633267082448,0.17008772531012267,0.20866458775957783,0.3865910492769516
EOS-2-10514,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)c2)s1,ZRUATULZOMDYSU-UHFFFAOYSA-N,2,1,0.418,18,367,455.956,4.35,5,0.376,0.64,1.0,0.5027671167157837,0.5243472003289699,0.12447741758618326,0.16176067438832156,0.32833810225481463
EOS-2-10515,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)ccn2)cs1,YSLTVKYCZAPXJX-UHFFFAOYSA-N,2,1,0.511,75,583,455.956,4.35,5,0.376,0.69,1.0,0.6328301692824344,0.637918922623535,0.11609039819066548,0.1563806456034542,0.3858050339250223
EOS-2-10516,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)s1,BFJFQIAGWSYAPL-UHFFFAOYSA-N,2,1,0.468,87,838,455.956,4.35,5,0.376,0.68,1.0,0.5733328764306764,0.6623774929751216,0.157442944280721,0.21191145226509492,0.4012661914879035
EOS-2-10517,Cn1nc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)cc1-c1cncs1,PIEJGEKXGRCIEJ-UHFFFAOYSA-N,2,1,0.471,95,569,443.945,3.985,5,0.394,0.58,0.943,0.3354036734973614,0.27038071413885273,0.17357446371050647,0.2380234391062984,0.25434557261325474
EOS-2-10518,Cn1ncc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1-c1nccs1,PCRSGSUUGBKBGO-UHFFFAOYSA-N,2,1,0.523,58,954,443.945,3.985,5,0.394,0.69,1.0,0.495125419779316,0.44828147488177644,0.08805942019052841,0.14359022685216916,0.29376413542594754
EOS-2-10519,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3cc(-c4ccsc4)ns3)n12,DYIDQSKQHXNGOY-UHFFFAOYSA-N,2,1,0.488,59,877,443.916,5.348,5,0.366,0.64,1.0,0.6873415118908917,0.7524415735727503,0.6868017956274416,0.7773113563155369,0.725974059351655
EOS-2-10520,Fc1nc(-c2nnc3cncc(OCc4cc(Cl)cs4)n23)ccc1-c1cccs1,FIKYQQAUJQPGSL-UHFFFAOYSA-N,2,1,0.471,46,223,443.916,5.348,5,0.343,0.57,0.999,0.6753478171475568,0.7390429031594818,0.6786717839764238,0.7421269960934823,0.7087973750942361
EOS-2-10521,Fc1sc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1Cl,QKACCAYYWHLMKU-UHFFFAOYSA-N,2,1,0.562,4,22,443.916,5.348,5,0.366,0.59,1.0,0.7798728668357207,0.8538568295524639,0.7960472208895895,0.8087605373175245,0.8096343636488247
EOS-2-10522,Fc1cc(-c2nnc3cncc(OCc4cc(Cl)cs4)n23)ccc1-c1cncs1,PWDACWHUSMIJIU-UHFFFAOYSA-N,2,1,0.597,97,71,443.916,5.348,5,0.366,0.65,1.0,0.7685559591529024,0.860093550818998,0.8198204372558426,0.8487423754369131,0.8243030806661641
EOS-2-10523,Cc1cc(CCc2cncc3nnc(-c4cc(-c5cnc(C)nc5)nc(Cl)n4)n23)ccn1,QAVFZFRXTASKRM-UHFFFAOYSA-N,2,1,0.316,85,580,443.902,3.489,5,0.38,0.64,0.707,0.2409019258446988,0.19974641902542664,0.17009629223493936,0.16176924131313825,0.19312846960455077
EOS-2-10524,O=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)s1,NOONXZNKCQSZBH-UHFFFAOYSA-N,2,1,0.451,2,422,443.901,3.292,5,0.443,0.6,1.0,0.4655609622369954,0.49220409841683227,0.21395894729627854,0.2733106024261531,0.36125865259406487
EOS-2-10525,Cc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)n1,GKBBNHGJWTZROQ-UHFFFAOYSA-N,2,1,0.485,87,76,443.898,4.227,5,0.363,0.65,1.0,0.7510708656020835,0.7343739291343979,0.5615619217325749,0.5390994448632719,0.646526540333082
EOS-2-10526,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cn1,IYJLFTFIGAEMMC-UHFFFAOYSA-N,2,1,0.6,18,181,443.898,4.227,5,0.388,0.69,1.0,0.6188575149064491,0.6574600781303543,0.5282280172709204,0.5429973956548557,0.5868857514906449
EOS-2-10527,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cn1,JZBYUSZCLGGQHV-UHFFFAOYSA-N,2,1,0.495,11,173,443.898,4.227,5,0.363,0.76,1.0,0.7828884243711877,0.8742975121650333,0.49001096566376534,0.4745390994448633,0.6554340004112125
EOS-2-10528,Cc1cncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)n1,LONBIWYXLYINIO-UHFFFAOYSA-N,2,1,0.541,15,426,443.898,4.227,5,0.363,0.65,1.0,0.8080323487081077,0.8187752724282091,0.5483945582893565,0.5360496196285381,0.6778129497635529
EOS-2-10529,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccncc1,GDXFWLJGJYGFMT-UHFFFAOYSA-N,2,1,0.419,46,717,443.898,4.438,5,0.383,0.69,0.992,0.5490970461243232,0.519729627852786,0.5002141731204167,0.5090295387567678,0.5195175964635734
EOS-2-10530,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,CPHCCYRIOMAXOY-UHFFFAOYSA-N,2,1,0.573,35,4,443.898,4.227,5,0.363,0.7,1.0,0.8154684394489754,0.8716931670207663,0.6124494551435816,0.5814628880816942,0.7202684874237544
EOS-2-10531,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2Cl)cn1,CCFUYPIAMRVFPH-UHFFFAOYSA-N,2,1,0.612,35,4,443.898,4.227,5,0.388,0.7,1.0,0.8912685902268521,0.9596840518127613,0.6569888972654376,0.6292234939346172,0.7842912583099171
EOS-2-10532,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,GRPCBBHMQKXVMC-UHFFFAOYSA-N,2,1,0.535,44,531,443.898,4.227,5,0.388,0.81,1.0,0.7596977588924679,0.748038174216983,0.45174251250771025,0.49878349667603317,0.6145654855732986
EOS-2-10533,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,DZCLRNFQWCCDGH-UHFFFAOYSA-N,2,1,0.522,15,490,443.898,4.227,5,0.388,0.7,1.0,0.777131450894387,0.8110736070180248,0.5002227400452334,0.5058940442738674,0.6485804605578781
EOS-2-10534,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)nn1,LWIMKSUNERTJAA-UHFFFAOYSA-N,2,1,0.56,72,889,443.898,4.227,5,0.363,0.7,1.0,0.8857857583441848,0.9261873757795902,0.5615704886573916,0.5430059625796724,0.7291373963402098
EOS-2-10535,Cc1ncc(-c2nnc3cncc(OCCc4ccccn4)n23)c(-c2ccc(Cl)cc2)n1,KCHLFQSFCDAPEQ-UHFFFAOYSA-N,2,1,0.562,11,275,443.898,4.227,5,0.388,0.73,0.999,0.843096771982729,0.847585840586663,0.3750342676992667,0.4339832773627579,0.624925039407854
EOS-2-10536,Cc1cncc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)n1,BPVWBQUEZSOJMB-UHFFFAOYSA-N,2,1,0.489,15,561,443.898,4.227,5,0.363,0.66,1.0,0.7480810088410664,0.7781509149475704,0.45540915632924406,0.4652696867932287,0.6117276917277774
EOS-2-10537,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,QDYWCOIHQZHGKX-UHFFFAOYSA-N,2,1,0.548,44,531,443.898,4.227,5,0.388,0.83,1.0,0.7269549722431636,0.752450140497567,0.4796706874100473,0.5192413131382358,0.6195792783222535
EOS-2-10538,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,HQAIBOMIAYEZLN-UHFFFAOYSA-N,2,1,0.535,15,426,443.898,4.227,5,0.363,0.72,1.0,0.8182612569392091,0.8475944075114796,0.5717993968884929,0.5459701185662394,0.6959062949763554
EOS-2-10539,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)nn1,FOASVFRIRBKASK-UHFFFAOYSA-N,2,1,0.528,72,848,443.898,4.227,5,0.363,0.71,1.0,0.8545593173874306,0.9047700637379207,0.4657237338085121,0.47156637653347955,0.6741548728668358
EOS-2-10540,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)ccn1,ZWFRTOJSIONTBM-UHFFFAOYSA-N,2,1,0.511,75,278,443.898,4.227,5,0.363,0.73,1.0,0.7358817079021315,0.7158950723048455,0.5074189568912343,0.4896254540470153,0.6122052977863066
EOS-2-10541,Clc1ccc(CCCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)cc1,NEIWYZLZEQQYNB-UHFFFAOYSA-N,2,1,0.56,75,496,443.898,4.308,5,0.346,0.79,1.0,0.7997052977863066,0.7991827153724899,0.5718079638133096,0.6177609485299157,0.6971142313755054
EOS-2-10542,Cc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)c(-c2ccc(Cl)cc2)n1,ZFEZPFAGUJLKFZ-UHFFFAOYSA-N,2,1,0.59,35,234,443.898,4.227,5,0.388,0.78,1.0,0.8840209718319512,0.879848879446234,0.4517510794325269,0.4987920636008498,0.6786032485778904
EOS-2-10543,CCc1ccc(-c2nnc3cncc(OCc4nnccc4-c4ccc(Cl)cn4)n23)cc1,DCSSHQCFYGZWJR-UHFFFAOYSA-N,2,1,0.528,72,534,443.898,4.438,5,0.383,0.67,1.0,0.7480895757658831,0.8476029744362964,0.5449420875882394,0.5391080117880885,0.6699356623946269
EOS-2-10544,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)n1,ZXWOCIVLBQYBTG-UHFFFAOYSA-N,2,1,0.712,75,583,443.898,4.227,5,0.388,0.68,1.0,0.7054948255774107,0.7204269755328627,0.528236584195737,0.5491141799739565,0.6258181413199917
EOS-2-10545,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,XPWCTWPIAHQOKC-UHFFFAOYSA-N,2,1,0.505,15,561,443.898,4.227,5,0.363,0.73,1.0,0.7358902748269481,0.7948478514152559,0.46221129463367827,0.4622798300322116,0.6138073127270235
EOS-2-10546,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)cn1,FSCPSGOWJNCPNO-UHFFFAOYSA-N,2,1,0.731,75,583,443.898,4.227,5,0.388,0.73,1.0,0.7114231375505449,0.7524587074223836,0.5382598862312384,0.5459786854910561,0.6370301041738058
EOS-2-10547,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)ccn1,XLIRAQNPCAYLRS-UHFFFAOYSA-N,2,1,0.522,75,278,443.898,4.227,5,0.388,0.71,1.0,0.7857583441847714,0.7480467411417997,0.544950654513056,0.5360581865533548,0.6537034815982454
EOS-2-10548,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)nc1,YURLNTNZMBLTQO-UHFFFAOYSA-N,2,1,0.53,58,56,443.898,4.227,5,0.363,0.73,1.0,0.8154770063737921,0.8955863203344527,0.5348502501542046,0.5090381056815846,0.6887379206360085
EOS-2-10549,CCc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)ccn1,ZDSDHZLESRZUMT-UHFFFAOYSA-N,2,1,0.462,55,879,443.898,4.438,5,0.383,0.74,1.0,0.6019207045438969,0.6868446302515249,0.587476869302995,0.5523439106298403,0.6071465286820643
EOS-2-10550,CCc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ccccn1,KCTRFUFJLAKLTC-UHFFFAOYSA-N,2,1,0.426,49,348,443.898,4.438,5,0.358,0.69,0.979,0.5990507847303133,0.5754489068603934,0.4111695565759715,0.4243283530943732,0.5024994003152629
EOS-2-10551,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncn5)n34)ccc2Cl)nc1,UYVOCHDIBOBCAM-UHFFFAOYSA-N,2,1,0.523,11,275,443.898,4.227,5,0.388,0.74,1.0,0.9138338701939552,0.922529298882873,0.5683040915632924,0.5719193338359263,0.7441466486190118
EOS-2-10552,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)nc1,FZGSJILIVJLXQK-UHFFFAOYSA-N,2,1,0.505,58,56,443.898,4.227,5,0.363,0.74,1.0,0.7330032211637311,0.8507727366184634,0.44094818723870877,0.439885888561442,0.6161525083955863
EOS-2-10553,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)cn1,KNIUINVGOUWWPM-UHFFFAOYSA-N,2,1,0.731,75,73,443.898,4.227,5,0.388,0.75,1.0,0.8080409156329244,0.7824772119799877,0.5843670755945446,0.5781731889520938,0.6882645980398876
EOS-2-10554,Cc1ccc(-c2ncccc2-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,HCZPARWCJJUVHL-UHFFFAOYSA-N,2,1,0.505,11,352,443.898,4.227,5,0.363,0.73,1.0,0.8182698238640258,0.8303748886299774,0.5181961483106025,0.5059026111986841,0.6681858680008225
EOS-2-10555,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)n1,LARXGYYJHSDSLL-UHFFFAOYSA-N,2,1,0.639,84,858,443.898,4.227,5,0.388,0.65,1.0,0.7085360838873278,0.7524672743472003,0.5750291275443766,0.5937050236447124,0.6574343773559043
EOS-2-10556,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)c(C)n1,PYSJGQOIYFFLPF-UHFFFAOYSA-N,2,1,0.494,97,43,443.898,4.493,5,0.369,0.75,1.0,0.6505123021040368,0.657468645055171,0.5874854362278117,0.5192498800630526,0.603679065862518
EOS-2-10557,Cc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(Cl)nn1,IUAUTVFYMHXZRT-UHFFFAOYSA-N,2,1,0.566,72,393,443.898,4.227,5,0.388,0.7,1.0,0.8763278733465835,0.8630834075800151,0.5939705983140292,0.5750548283188267,0.7271091768898635
EOS-2-10558,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)n1,YWDCOBXLHNHFEW-UHFFFAOYSA-N,2,1,0.639,84,73,443.898,4.227,5,0.388,0.69,1.0,0.8080494825577411,0.8771845658282503,0.5212288396957029,0.5391165787129052,0.6863948666986499
EOS-2-10559,Cc1ccnc(-c2ccncc2-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,PZPLFOZMXYHKDI-UHFFFAOYSA-N,2,1,0.454,87,173,443.898,4.227,5,0.363,0.64,1.0,0.6842831197313413,0.6917534781714756,0.4758841066410801,0.48963402097183195,0.5853886813789322
EOS-2-10560,Cc1ncc(-c2nnc3cncc(OCCc4ccncc4)n23)c(-c2ccc(Cl)cc2)n1,WTQRYFVBMPKPLM-UHFFFAOYSA-N,2,1,0.605,35,393,443.898,4.227,5,0.388,0.77,1.0,0.8334504146391611,0.882324720718251,0.4831831265848811,0.5224539099444864,0.680353042971695
EOS-2-10561,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cn1,OEUPMCKIGYMLKS-UHFFFAOYSA-N,2,1,0.573,35,76,443.898,4.227,5,0.388,0.82,1.0,0.8997498457953533,0.8978137207867863,0.5811030772393941,0.5622215749434583,0.735222054691248
EOS-2-10562,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cn1,BCOVCHHHXZWTSO-UHFFFAOYSA-N,2,1,0.607,18,840,443.898,4.227,5,0.388,0.76,1.0,0.6505208690288534,0.6770012336371736,0.5718165307381262,0.5750633952436434,0.6186005071619491
EOS-2-10563,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)cn2)nc1,LQOIZRUATQUDFN-UHFFFAOYSA-N,2,1,0.516,58,56,443.898,4.227,5,0.363,0.65,1.0,0.8452556370365294,0.9000068535398533,0.50023130697005,0.49264101158248236,0.6845337022822288
EOS-2-10564,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)ncn1,LLUUOTVHHFGFFG-UHFFFAOYSA-N,2,1,0.624,84,56,443.898,4.227,5,0.388,0.75,1.0,0.8104225207319581,0.8798574463710507,0.5615790555822082,0.5622301418682749,0.703522291138373
EOS-2-10565,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cn1,QYWYFGGLCDUJCS-UHFFFAOYSA-N,2,1,0.556,11,76,443.898,4.227,5,0.363,0.8,1.0,0.8657134534987321,0.90001542046467,0.5843756425193612,0.5459872524158728,0.724022942224659
EOS-2-10566,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cn1,SQQMKHFBAJXGMG-UHFFFAOYSA-N,2,1,0.529,75,525,443.898,4.227,5,0.363,0.78,1.0,0.8407494345829621,0.8371427592351449,0.5972088958947296,0.5558049482557741,0.7077265094921527
EOS-2-10567,CC(Oc1cncc2nnc(-c3ccc(Oc4ccccn4)cc3)n12)c1ccccc1Cl,GNUQFLIZFRMYPQ-UHFFFAOYSA-N,2,1,0.562,79,881,443.894,5.772,5,0.331,0.7,1.0,0.9093019669659379,0.8931447467617024,0.917526214789939,0.8831642793502844,0.900784301966966
EOS-2-10568,OCc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1,ILADGJAPVYFOIY-UHFFFAOYSA-N,2,1,0.605,1,709,443.894,4.578,5,0.413,0.83,1.0,0.9642930573641286,0.9327496401891577,0.8877304502775684,0.8775358097457336,0.915577239394147
EOS-2-10569,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)cc2)cn1,PVBXZMYQIUEPST-UHFFFAOYSA-N,2,1,0.671,1,326,443.894,5.094,5,0.363,0.87,1.0,0.9524535672674936,0.9047786306627373,0.8765677472414503,0.8353951065725447,0.8922987629360565
EOS-2-10570,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)cc1,XWQNTSMFIOAKED-UHFFFAOYSA-N,2,1,0.547,12,650,443.894,4.834,5,0.378,0.61,1.0,0.9403570694263587,0.9295798780069906,0.767459392776369,0.7843105338907546,0.8554267185251181
EOS-2-10571,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cn1,MAAAUTIHYUEBNW-UHFFFAOYSA-N,2,1,0.641,79,590,443.894,5.254,5,0.32,0.76,1.0,0.9690477006373792,0.942695839901309,0.7960557878144061,0.7936142142416558,0.8753533856486876
EOS-2-10572,COc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)n1,ZLCFTWPHHZZJQB-UHFFFAOYSA-N,2,1,0.575,12,23,443.894,5.094,5,0.363,0.84,1.0,0.8657220204235487,0.9000239873894866,0.8147316839147419,0.7798728668357207,0.8400876396408745
EOS-2-10573,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c1,GNTIBLVGEYTFIZ-UHFFFAOYSA-N,2,1,0.595,1,23,443.894,5.094,5,0.363,0.8,1.0,0.8407580015077788,0.902337057089987,0.8613614556918648,0.8334932492632444,0.8594874408882188
EOS-2-10574,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)cn4)n23)cc1,HTEQKDATZVWEPM-UHFFFAOYSA-N,2,1,0.59,1,347,443.894,4.578,5,0.413,0.84,1.0,0.7857669111095881,0.8073212939483243,0.8854516482763347,0.8803286272359674,0.8397171201425535
EOS-2-10575,Oc1ccncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,GSGZXRHEHFINJO-UHFFFAOYSA-N,2,1,0.692,91,660,443.894,4.834,5,0.404,0.68,1.0,0.8052566650675074,0.8743060790898499,0.8456154478788294,0.8452470701117127,0.8426063155369747
EOS-2-10576,Clc1cncc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,QPQKNRXPBXKCDT-UHFFFAOYSA-N,2,1,0.605,79,881,443.894,5.254,5,0.342,0.78,1.0,0.9690562675621959,0.9327582071139744,0.7938026865876225,0.8023867452539236,0.8745009766294292
EOS-2-10577,COc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,VGKVNDRJMGHJCJ-UHFFFAOYSA-N,2,1,0.685,1,326,443.894,5.094,5,0.363,0.86,1.0,0.9690648344870125,0.9612946336782948,0.8777842505654171,0.8373140977314784,0.9113644541155508
EOS-2-10578,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,RMDHZWMUQIOAIQ-UHFFFAOYSA-N,2,1,0.634,79,881,443.894,5.254,5,0.342,0.79,1.0,0.9579535329997944,0.9342745528065246,0.7535981084230005,0.7749725858405867,0.8551996950174765
EOS-2-10579,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)cn5)c4)n23)cc1,UTNVIVNWMZMJET-UHFFFAOYSA-N,2,1,0.576,1,709,443.894,4.578,5,0.413,0.8,1.0,0.9460369405798095,0.8371513261599616,0.889906449181002,0.8760365979028168,0.8872828284558976
EOS-2-10580,Clc1cccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)n1,OTVHJBWTROEXCE-UHFFFAOYSA-N,2,1,0.602,79,590,443.894,5.254,5,0.32,0.76,1.0,0.9485813172503598,0.9243968884929066,0.7210780618189295,0.7394969501747652,0.8333883044342403
EOS-2-10581,COc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,DYPAQIUFYBCTQC-UHFFFAOYSA-N,2,1,0.649,1,326,443.894,5.094,5,0.363,0.82,1.0,0.9539956137344938,0.9549379754643273,0.869868412034816,0.8335018161880612,0.9030759543554245
EOS-2-10582,Clc1cccc(COc2cncc3nnc(-c4ccc(COc5ccccc5)cc4)n23)n1,GSMWWQOZSQNBIV-UHFFFAOYSA-N,2,1,0.6,79,347,443.894,4.998,5,0.329,0.76,1.0,0.8385648687547118,0.8227931601672264,0.8164793365773422,0.7959358508669728,0.8184433040915633
EOS-2-10583,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(Oc4ccccc4)nc3)n12,CLQYQCNRAZZQHY-UHFFFAOYSA-N,2,1,0.696,79,824,443.894,5.254,5,0.342,0.84,1.0,0.7798814337605373,0.8717017339455829,0.7741587279830032,0.7819203618669043,0.8019155643890069
EOS-2-10584,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)cn1,CLVLBCHTPCMLCG-UHFFFAOYSA-N,2,1,0.636,1,326,443.894,5.094,5,0.363,0.86,1.0,0.9467822630388596,0.8955948872592694,0.8698769789596327,0.8293982592008773,0.8854130971146597
EOS-2-10585,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccccc1,MSIWFGFECYQQSY-UHFFFAOYSA-N,2,1,0.545,1,650,443.894,4.834,5,0.404,0.66,1.0,0.8983191693509698,0.8904290315948187,0.7513107394969502,0.7773199232403536,0.829344715920773
EOS-2-10586,COc1ccnc(Oc2ccccc2Cl)c1-c1cncc2nnc(-c3ccc(C)cc3)n12,ARGVYWWEOFANMM-UHFFFAOYSA-N,2,1,0.365,62,3,443.894,5.616,5,0.351,0.91,1.0,0.4236772668083065,0.5288362689329038,0.7917380577068056,0.7395055170995819,0.6209392776368994
EOS-2-10587,COc1ccccc1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)cc4)c3)n12,APHGEYGITFZWEG-UHFFFAOYSA-N,2,1,0.529,1,137,443.894,5.094,5,0.363,0.83,1.0,0.7884740593516552,0.7608200260434514,0.8712476869302995,0.8432852443286958,0.8159567541635255
EOS-2-10588,CCn1cc(-c2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)c(-c2ccc(F)cc2)n1,OOIPRMINSYDMCW-UHFFFAOYSA-N,2,1,0.372,96,46,443.873,5.006,5,0.39,0.72,1.0,0.2836080460557878,0.5017305188129669,0.8613700226166815,0.8995528065245699,0.6365653485025016
EOS-2-10589,CCn1ncc(-c2cncc3nnc(-c4ccc(C#N)cc4)n23)c1-c1ccc(F)c(Cl)c1,LTWGFWWEBIXXSR-UHFFFAOYSA-N,2,1,0.436,61,316,443.873,5.006,5,0.39,0.82,1.0,0.30755260091837433,0.4830117880885477,0.8712562538551162,0.9076399835515043,0.6423651566033857
EOS-2-10590,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5C#N)n34)nc2)n1,ZMMJAZXRFJOBTG-UHFFFAOYSA-N,2,1,0.477,51,946,443.858,3.086,5,0.406,0.71,0.999,0.5592402851072579,0.7249931464601467,0.490019532588582,0.4896425878966486,0.5659738880131587
EOS-2-10591,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)nc1C#N,BRJRXQVXGJUAEJ-UHFFFAOYSA-N,2,1,0.411,46,62,443.858,3.086,5,0.406,0.65,0.897,0.6244174491124665,0.5197381947776026,0.5002398738948667,0.48965115482146526,0.5335116681516003
EOS-2-10592,Cn1c(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)cn2)cnc1Cl,DOPMJJWOHWFKRE-UHFFFAOYSA-N,2,1,0.529,55,283,443.858,3.086,5,0.406,0.65,1.0,0.6962339798505929,0.6672006716469057,0.5074275238160509,0.4622883969570283,0.5832876430676444
EOS-2-10593,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccc(C#N)nc1,LDVLSQKGGYKECK-UHFFFAOYSA-N,2,1,0.452,95,694,443.858,3.086,5,0.406,0.65,0.999,0.4167808923308889,0.4171064354739223,0.5038037146186005,0.5090466726064012,0.4616844287574532
EOS-2-10594,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1-c1ccc(C#N)nc1,XHYYITXSBKNJEV-UHFFFAOYSA-N,2,1,0.489,95,694,443.858,3.086,5,0.38,0.71,1.0,0.39712836680145297,0.4029881433760537,0.5107943252690015,0.49581077376464944,0.4516804023027894
EOS-2-10595,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)n2)cn1,FKKKEFWYXDNCNY-UHFFFAOYSA-N,2,1,0.467,92,399,443.858,3.086,5,0.406,0.72,1.0,0.4902679734082654,0.7018538825303269,0.6035227194846138,0.5875197039270783,0.595791069837571
EOS-2-10596,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ccc(C#N)nc1,VYUUCLPDSFJABE-UHFFFAOYSA-N,2,1,0.462,95,694,443.858,3.086,5,0.406,0.63,1.0,0.32530326913851004,0.407571448152971,0.4554177232540607,0.4652782537180454,0.4133926735658968
EOS-2-10597,Cn1cc(C#N)c(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)n1,AOOVECWXNBNGSJ-UHFFFAOYSA-N,2,1,0.435,2,36,443.858,3.086,5,0.406,0.67,0.999,0.5004112123912,0.5062367212665342,0.5449592214378727,0.5459958193406894,0.5244007436090741
EOS-2-10598,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ncccc1C#N,XSBKBBKCFUJZDG-UHFFFAOYSA-N,2,1,0.4,95,62,443.858,3.086,5,0.406,0.63,0.999,0.4443064217668426,0.4029967103008704,0.39353025837845246,0.44312418614214244,0.420989394147077
EOS-2-10599,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(C#N)n4)n23)c(Cl)c1,GOXYGOOQAXHSKI-UHFFFAOYSA-N,2,1,0.484,4,79,443.858,3.086,5,0.406,0.66,1.0,0.4307535467068741,0.6001816188061133,0.514546638338702,0.5192584469878693,0.5161850627098896
EOS-2-10600,Cn1nnnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4F)n23)cs1,FTICYVPMCPRLIR-UHFFFAOYSA-N,2,1,0.446,36,728,443.855,2.81,5,0.381,0.54,1.0,0.3992443972311699,0.4214927009800562,0.18309231718182442,0.264700842985402,0.31713256459461314
EOS-2-10601,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cs1,QUEYUKACWJNALM-UHFFFAOYSA-N,2,1,0.383,51,45,443.855,2.81,5,0.381,0.65,1.0,0.40135186073607015,0.3886471112329518,0.11890034953053252,0.1642279487355219,0.26828181755876906
EOS-2-10602,Cc1nc(-c2cc(-c3nnc4cncc(OCc5sncc5Cl)n34)ncn2)[nH]c1F,GGICWKBROPKMGV-UHFFFAOYSA-N,2,1,0.379,46,599,443.855,3.108,5,0.44,0.58,0.144,0.47553286272359674,0.4614402714001782,0.14218525118223563,0.19982352134877665,0.3197454766636968
EOS-2-10603,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6ccco6)o5)n34)c2)nn1,CLQJEDWFZCMQDM-UHFFFAOYSA-N,2,1,0.287,76,272,443.854,4.76,6,0.387,0.68,0.987,0.06965766568432595,0.18648481940922487,0.5811116441642108,0.6354516482763347,0.36817644438352404
EOS-2-10604,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ncno1,HUMWISJFSGIGJO-UHFFFAOYSA-N,2,1,0.432,31,814,443.851,3.712,5,0.366,0.6,0.867,0.659841683229388,0.6477708861627031,0.31545130559934204,0.38642827770543486,0.502373038174217
EOS-2-10605,FCc1nnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cs2)o1,YBGDSNHAQBNMJN-UHFFFAOYSA-N,2,1,0.435,55,283,443.851,4.0,5,0.388,0.64,0.984,0.4583818792406278,0.4075800150777877,0.2565793982592009,0.32851586594476045,0.3627642896305942
EOS-2-10606,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1nnco1,LQQQDWYHVWAMTO-UHFFFAOYSA-N,2,1,0.436,58,237,443.851,3.712,5,0.366,0.58,0.987,0.7567421698307175,0.6818244123089576,0.31154478788294154,0.38326708244808444,0.5333446131176753
EOS-2-10607,N#Cc1cc(-c2nnc3cncc(-c4cc(F)c(-c5ccccc5)cc4F)n23)ccc1Cl,JPOCCGJKPRGTDV-UHFFFAOYSA-N,2,1,0.359,83,480,443.844,5.929,5,0.346,0.71,1.0,0.48286615036666436,0.8265369063121102,0.9899252964155987,0.9959992461106162,0.8238318998012474
EOS-2-10608,N#Cc1ccc(-c2nnc3cncc(Oc4nnc(-c5ccc(Cl)cc5)cc4F)n23)cc1,VUWVMXDARJEGPE-UHFFFAOYSA-N,2,1,0.53,43,417,443.829,4.705,5,0.396,0.64,1.0,0.9540041806593106,0.9596926187375779,0.8841152080049346,0.9055410869714208,0.925838273593311
EOS-2-10609,N#Cc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cccnc1,NZVYPVNYCAIUMZ-UHFFFAOYSA-N,2,1,0.394,13,145,443.829,4.705,5,0.396,0.66,1.0,0.6931841546158591,0.7991912822973065,0.8739976697964499,0.890009252278802,0.8140955897471044
EOS-2-10610,N#Cc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)ccn2)c1,BFFSKXJXINBNJF-UHFFFAOYSA-N,2,1,0.467,13,110,443.829,4.705,5,0.396,0.72,1.0,0.7828969912960044,0.8265454732369268,0.9267185251182236,0.9337262696182578,0.8674718148173532
EOS-2-10611,Fc1cc(-c2nnc3cncc(Br)n23)c(F)cc1-c1ccc(C(F)(F)F)nc1,IEJZZKVYDKMPLU-UHFFFAOYSA-N,2,1,0.7,68,861,456.172,4.913,4,0.403,0.82,1.0,0.497678363374683,0.7159036392296622,0.9974127887053663,0.9961962853813995,0.8017977691727778
EOS-2-10612,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cn1,DPVLJACYRJAKOI-UHFFFAOYSA-N,2,1,0.305,98,973,443.818,2.532,6,0.373,0.69,1.0,0.06563977794530876,0.17799499691590706,0.11024775546569804,0.19428072099239257,0.1370408128298266
EOS-2-10613,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nn[nH]n4)nc3)n12,SOANXUTVYVFITL-UHFFFAOYSA-N,2,1,0.291,98,727,443.818,2.737,6,0.43,0.7,0.999,0.23812624220409842,0.34050099376327875,0.24593071071208278,0.3351637996024947,0.28993043657048867
EOS-2-10614,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nn2)cn1,CZNBUQPUJWCPES-UHFFFAOYSA-N,2,1,0.374,7,94,443.818,1.932,5,0.391,0.68,0.998,0.5178106366938524,0.5908351038311288,0.15745151120553766,0.18346069494894113,0.36238948666986504
EOS-2-10615,Cn1c(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc2c(OC(F)F)cccc21,SGZLNXLZJJXYTC-UHFFFAOYSA-N,2,1,0.375,45,102,443.816,5.344,5,0.376,0.75,1.0,0.5874683023781784,0.8265540401617435,0.9864299910903982,0.9886745253923651,0.8472817147556714
EOS-2-10616,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)o2)cn1,GBCUGFHNPVFICC-UHFFFAOYSA-N,2,1,0.329,3,63,443.814,3.607,6,0.372,0.69,1.0,0.2490148036460832,0.37447741758618325,0.2709718319512028,0.3446902199986293,0.30978856829552465
EOS-2-10617,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nc(Cl)co5)n34)co2)cc1F,WATUIGNTKMRZAE-UHFFFAOYSA-N,2,1,0.527,11,639,443.797,4.592,5,0.379,0.64,1.0,0.805265231992324,0.6770098005619902,0.8107480638749914,0.837322664656295,0.7825864402714002
EOS-2-10618,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cn1,VFYICPZGZISZQI-UHFFFAOYSA-N,2,1,0.568,90,255,456.211,4.971,4,0.422,0.77,1.0,0.942207525186759,0.9646443012816119,0.9930179562744157,0.9906706188746488,0.972635100404359
EOS-2-10619,Fc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(Cl)c1Cl,DWCOVYJTNDJVND-UHFFFAOYSA-N,2,1,0.684,90,255,456.211,4.813,4,0.415,0.69,1.0,0.9563515180590775,0.9736567061887464,0.982849016517031,0.9851278185182647,0.9744962648207799
EOS-2-10620,FC(F)(F)Oc1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1,SFXHDIJIAYKLRD-UHFFFAOYSA-N,2,1,0.568,90,255,456.211,4.971,4,0.422,0.69,1.0,0.9384637790418752,0.9724487697895964,0.9929151531766157,0.9916900829278322,0.9738794462339799
EOS-2-10621,FC(F)(F)c1cc(-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)ccc1Cl,JJTSKJRZGUUOGM-UHFFFAOYSA-N,2,1,0.34,50,243,443.78,3.501,5,0.42,0.74,1.0,0.06966623260914262,0.36969707353848263,0.887739017202385,0.8654907134534987,0.5481482592008773
EOS-2-10622,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(C(F)F)nc3Cl)n12,KSDPUTWBXINPIJ-UHFFFAOYSA-N,2,1,0.338,96,315,443.776,4.633,5,0.373,0.64,0.998,0.3906260708656021,0.5754574737852101,0.9145620588033719,0.912317524501405,0.6982407819888973
EOS-2-10623,Fc1nc(C(F)F)ccc1-c1nnc2cncc(-c3nc(-c4ccc(Cl)cc4)no3)n12,QGRZWPKLEWBOMI-UHFFFAOYSA-N,2,1,0.425,96,315,443.776,4.633,5,0.373,0.73,1.0,0.43076211363169076,0.6818329792337743,0.8253461037625934,0.8606075663079981,0.6996371907340142
EOS-2-10624,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cnc(F)c(-c4ccc(Cl)nc4)n3)n12,MNOXTAGFKZHRJU-UHFFFAOYSA-N,2,1,0.398,45,575,456.243,4.895,5,0.36,0.66,1.0,0.37703892810636697,0.7112517990542115,0.8958775957782195,0.947082105407443,0.7328126070865603
EOS-2-10625,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cc(Cl)nc(Cl)n5)cn4)n23)c(F)c1,XYFAUZRLPUFQCN-UHFFFAOYSA-N,2,1,0.373,45,140,456.243,4.895,5,0.284,0.66,1.0,0.37005688438078266,0.6721095195668563,0.9049242683846207,0.9423445959838257,0.7223588170790213
EOS-2-10626,Fc1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cnc1Cl,ZQFVAJBJJRUWED-UHFFFAOYSA-N,2,1,0.437,45,730,456.243,4.895,5,0.36,0.59,0.78,0.41916249742992256,0.7204355424576794,0.9049328353094374,0.9556918648481941,0.7500556850113084
EOS-2-10627,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)c(Cl)n2)cn1,JQINQPXKSGWQHP-UHFFFAOYSA-N,2,1,0.364,45,575,456.243,4.895,5,0.284,0.73,1.0,0.43491707216777464,0.6818415461585909,0.9156843259543554,0.9523850318689603,0.7462069940374203
EOS-2-10628,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cc2Cl)nc1,RJTNRRZAGPDZGT-UHFFFAOYSA-N,2,1,0.364,45,575,456.243,4.895,5,0.385,0.73,1.0,0.41447638955520527,0.6144969501747652,0.904941402234254,0.9504403399355768,0.7210887704749502
EOS-2-10629,Fc1cc(-c2nnc3cncc(-c4nncc(-c5ccc(F)c(Cl)c5)n4)n23)ccc1Cl,MSOCAXFFMBEMDD-UHFFFAOYSA-N,2,1,0.393,45,102,456.243,4.895,5,0.385,0.76,1.0,0.4144849564800219,0.7568792406277842,0.932381262422041,0.9715406757590296,0.7688215338222192
EOS-2-10630,COc1nc(-c2nnc3cncc(Oc4c(Cl)cccc4Cl)n23)ccc1-c1nnco1,UHRNWHIOIMGXMJ-UHFFFAOYSA-N,2,1,0.396,13,251,456.249,4.344,5,0.381,0.61,0.998,0.5847097525872113,0.5288448358577205,0.47589267356589676,0.5090552395312179,0.5246256253855116
EOS-2-10631,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)c2)o1,ICTDVQXGHFPJPY-UHFFFAOYSA-N,2,1,0.449,2,980,456.253,2.93,5,0.411,0.61,1.0,0.5178192036186691,0.44368960318004247,0.45175964635734356,0.49880063052566653,0.4780172709204304
EOS-2-10632,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)n4)n23)nn1,LTIPSALTSBTPAI-UHFFFAOYSA-N,2,1,0.398,53,602,456.253,2.955,5,0.352,0.58,0.752,0.5788756767870605,0.5614505517099582,0.14219381810705228,0.2437975464327325,0.38157939825920084
EOS-2-10633,COc1cc(-c2nnc3cncc(-c4ocnc4-c4ccc(Cl)c(F)c4)n23)ccc1Cl,MDRDZMYVAROSDP-UHFFFAOYSA-N,2,1,0.355,45,102,456.264,5.568,5,0.352,0.72,1.0,0.7656860393393188,0.8187838393530258,0.9408539510657254,0.9518710163799603,0.8692987115345076
EOS-2-10634,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)cc1Cl,LRKXMQMGORFJPF-UHFFFAOYSA-N,2,1,0.667,57,798,456.264,5.471,5,0.349,0.79,1.0,0.9837057089986978,0.9663319854704955,0.9380182989514084,0.9594013432938112,0.9618643341786033
EOS-2-10635,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)ccc1Cl,BUGGZRSGPCOHDL-UHFFFAOYSA-N,2,1,0.667,57,798,456.264,5.471,5,0.349,0.76,1.0,0.9848622438489479,0.9706325817284628,0.9380268658762251,0.9594099102186279,0.963232900418066
EOS-2-10636,Fc1cc(-c2cnco2)cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1Cl,IFBFGGLNVMCHJZ-UHFFFAOYSA-N,2,1,0.653,59,13,456.264,5.471,5,0.349,0.72,1.0,0.9863186210677816,0.9777773970255637,0.9633078610102118,0.972020423548763,0.97485607566308
EOS-2-10637,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncnn3-c3ccc(Cl)cc3)n12,QQFSUNSPSWLDJD-UHFFFAOYSA-N,2,1,0.529,34,612,456.268,4.397,5,0.39,0.69,1.0,0.5359639503803715,0.720444109382496,0.7489034336234666,0.8623552189705983,0.7169166780892331
EOS-2-10638,Cn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,KDQLJKQHDJACPH-UHFFFAOYSA-N,2,1,0.477,13,706,456.268,4.825,5,0.361,0.8,1.0,0.6328387362072511,0.8337845247070111,0.855296072921664,0.8816650675073675,0.8008961003358235
EOS-2-10639,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cc1Cl,DFTMNLKXUUHEQQ-UHFFFAOYSA-N,2,1,0.659,34,612,456.268,4.397,5,0.39,0.76,1.0,0.4878092659858817,0.822801727092043,0.8361318621067781,0.9055496538962374,0.7630731272702351
EOS-2-10640,Cn1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)cc1-c1cncc(Cl)c1,SDHWJXLFUXGTPS-UHFFFAOYSA-N,2,1,0.518,13,956,456.268,4.825,5,0.386,0.68,1.0,0.4629994517168117,0.4830203550133644,0.8343328078952779,0.8941470769652525,0.6686249228976766
EOS-2-10641,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4Cl)n23)cc1Cl,CPYCGZVICSQRDK-UHFFFAOYSA-N,2,1,0.617,59,294,456.268,4.601,5,0.389,0.57,1.0,0.9013861284353368,0.8931533136865191,0.8656534850250154,0.8995613734493866,0.8899385751490645
EOS-2-10642,Fc1c(Cl)cccc1-n1cc(COc2cncc3nnc(-c4cncc(Cl)c4)n23)cn1,BCSLQROSCSUXCA-UHFFFAOYSA-N,2,1,0.461,73,772,456.268,4.397,5,0.39,0.74,1.0,0.4236858337331232,0.5103574121033514,0.8537968610787472,0.8995699403742032,0.6718525118223562
EOS-2-10643,Cn1cnnc1-c1ccc(Cl)c(Oc2cncc3nnc(-c4cc(F)ccc4Cl)n23)c1,QJFBJRLCHNKEPZ-UHFFFAOYSA-N,2,1,0.453,34,252,456.268,4.825,5,0.386,0.78,1.0,0.5990593516551299,0.8877475841272017,0.8456240148036461,0.8995785072990199,0.8080023644712495
EOS-2-10644,OCc1cc(-c2nnc3cncc(-c4cn(-c5ccc(F)c(Cl)c5)nn4)n23)ccc1Cl,PYQPYPLKZWGSRX-UHFFFAOYSA-N,2,1,0.33,45,730,456.268,3.977,5,0.44,0.72,0.973,0.11388869851278186,0.42150126790487286,0.9108097457336715,0.9484613803029265,0.5986652731135631
EOS-2-10645,Cn1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)cc1-c1ccc(Cl)nc1,SYNWQPTYEGACSN-UHFFFAOYSA-N,2,1,0.529,13,573,456.268,4.825,5,0.361,0.7,1.0,0.4781200740182304,0.552044068261257,0.8393615927626619,0.8887242135563018,0.6895624871496128
EOS-2-10646,Cn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3c(F)cccc3Cl)n12,OSUXRXRIJWAGNF-UHFFFAOYSA-N,2,1,0.398,34,706,456.268,4.825,5,0.361,0.68,1.0,0.5258978137207868,0.7390514700842985,0.7984459598382565,0.8523404838599137,0.7289339318758139
EOS-2-10647,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nncn3-c3ccc(Cl)cc3)n12,YJKKWCJIYKRMEY-UHFFFAOYSA-N,2,1,0.529,34,612,456.268,4.397,5,0.39,0.65,1.0,0.5678671783976423,0.778159481872387,0.7917466246316223,0.8873449386608183,0.7562795558906175
EOS-2-10648,Cn1c(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)cnc1Cl,SQXWGQOYEFJGHW-UHFFFAOYSA-N,2,1,0.488,13,110,456.268,4.825,5,0.386,0.63,1.0,0.6076862449455144,0.6967308614899596,0.8273250633952437,0.8639486669864985,0.748922709204304
EOS-2-10649,Fc1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)cc5)nn4)n23)cc1Cl,NWIAZOPIFRRNOG-UHFFFAOYSA-N,2,1,0.659,34,612,456.268,4.397,5,0.39,0.73,1.0,0.4191710643547392,0.7390600370091152,0.832730792954561,0.9019258446987869,0.7232219347543005
EOS-2-10650,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cc(Cl)nn4)cc3)n12,IRLDWSSEPAJKPP-UHFFFAOYSA-N,2,1,0.562,34,612,456.268,4.397,5,0.39,0.7,1.0,0.5233277362757864,0.7738845863888698,0.8507641696936468,0.8913713933246522,0.7598369714207389
EOS-2-10651,COc1cc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5F)n4)n23)ccc1Cl,AUYQHQREXUMBFP-UHFFFAOYSA-N,2,1,0.333,22,730,456.268,4.494,5,0.396,0.74,1.0,0.14651154821465287,0.5333424713864711,0.8253546706874101,0.8789150846412171,0.5960309437324378
EOS-2-10652,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)[nH]n2)ccc1Cl,HMTQCJAXASIZKN-UHFFFAOYSA-N,2,1,0.489,34,963,456.268,4.601,5,0.416,0.73,1.0,0.5463984648070729,0.5754660407100267,0.8725669933520663,0.9144078541566719,0.7272098382564595
EOS-2-10653,Cn1nc(-c2ccc(Cl)cn2)cc1Oc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,WYUJTQYYXDQNPG-UHFFFAOYSA-N,2,1,0.482,13,706,456.268,4.825,5,0.386,0.73,1.0,0.6328473031320677,0.847611541361113,0.8147402508395586,0.8639572339113152,0.7897890823110136
EOS-2-10654,Cn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,CPJDIFRKBXQQPC-UHFFFAOYSA-N,2,1,0.477,13,706,456.268,4.825,5,0.361,0.79,1.0,0.6416198341443355,0.8440134329381125,0.8553046398464808,0.8816736344321843,0.8056528853402782
EOS-2-10655,Fc1cc(Cl)ccc1-n1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,JEEAMLWORCCIRG-UHFFFAOYSA-N,2,1,0.549,34,612,456.268,4.397,5,0.39,0.76,1.0,0.6536135288876704,0.807329860873141,0.7578558700568844,0.8671526968679323,0.771487989171407
EOS-2-10656,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncn(-c4ccc(Cl)cc4)n3)n12,CLEKBCIPYJBMFG-UHFFFAOYSA-N,2,1,0.512,34,612,456.268,4.397,5,0.39,0.72,1.0,0.4421903913371256,0.6818501130834076,0.760237475155918,0.8654992803783154,0.6874443149886916
EOS-2-10657,Fc1ccccc1-n1cc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nn1,KRSBVKIUODGFMF-UHFFFAOYSA-N,2,1,0.625,34,612,456.268,4.397,5,0.39,0.75,1.0,0.437538551161675,0.7696439586046193,0.8024981152765404,0.8860941676375849,0.7239436981701048
EOS-2-10658,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1cncc(Cl)c1,ZZEMQVYSXWMHSX-UHFFFAOYSA-N,2,1,0.407,13,956,456.268,4.825,5,0.386,0.73,1.0,0.39063463779041874,0.45687410047289423,0.818081351518059,0.8816822013570009,0.6368180727845932
EOS-2-10659,Cn1nc(-c2cnc(Cl)c(F)c2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,INWWTHMKFLEROG-UHFFFAOYSA-N,2,1,0.487,34,706,456.268,4.825,5,0.361,0.82,1.0,0.6873500788157083,0.8507813035432801,0.8343413748200946,0.8719416078404496,0.8111035912548832
EOS-2-10660,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cn(-c4ccccc4Cl)nn3)n12,HBGCMSODPRYIGT-UHFFFAOYSA-N,2,1,0.589,34,612,456.268,4.397,5,0.39,0.64,1.0,0.3792834624083339,0.7066170927283942,0.7674679597011856,0.8789236515660338,0.6830730416009869
EOS-2-10661,Fc1cc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)cc5)nn4)n23)ccc1Cl,QGWMRCMLDMALRY-UHFFFAOYSA-N,2,1,0.659,34,612,456.268,4.397,5,0.39,0.74,1.0,0.4307706805565074,0.7608285929682681,0.8327393598793777,0.9019344116236035,0.7315682612569392
EOS-2-10662,Cn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3F)n12,FBMSXINKJWTBEZ-UHFFFAOYSA-N,2,1,0.471,13,706,456.268,4.825,5,0.361,0.7,1.0,0.5233363032006031,0.7948564183400727,0.8310088410664108,0.8687375779590158,0.7544847851415257
EOS-2-10663,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)n(C)n1,VJMRGEUJHQGGME-UHFFFAOYSA-N,2,1,0.462,36,292,456.297,3.902,5,0.395,0.58,1.0,0.4055239531217874,0.6282896991296004,0.2035072990199438,0.33829072716057845,0.3939029196079775
EOS-2-10664,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)n(C)n1,DYHJWZFBKWXZIF-UHFFFAOYSA-N,2,1,0.529,36,404,456.297,3.206,5,0.4,0.67,1.0,0.43754711808649166,0.6574772119799877,0.23524775546569804,0.36750394078541565,0.42444400657939824
EOS-2-10665,Clc1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5Cl)n4)n23)cc1,HVJKBOVEPYAPNT-UHFFFAOYSA-N,2,1,0.423,22,990,443.685,4.394,5,0.411,0.78,1.0,0.14962134192310328,0.4973356863820163,0.6035312864094304,0.8687461448838325,0.5298086148995956
EOS-2-10666,Clc1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)c(Cl)c5)n4)n23)cc1,HUCFWCZVVZOATF-UHFFFAOYSA-N,2,1,0.423,22,990,443.685,4.394,5,0.411,0.78,1.0,0.14388150229593585,0.492212665341649,0.6704218353779727,0.8861027345624015,0.5481546843944898
EOS-2-10667,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccccn5)s4)n23)c(Cl)c1,OTEIZDXCUZVCAC-UHFFFAOYSA-N,2,1,0.553,34,820,456.318,4.591,5,0.382,0.72,1.0,0.5438369542868892,0.8033633746830238,0.3339301624288945,0.5391251456377218,0.5550639092591323
EOS-2-10668,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5cccc(Cl)n5)s4)n23)cc1,PNFSODJDHRZMGB-UHFFFAOYSA-N,2,1,0.554,34,268,456.318,4.591,5,0.357,0.79,1.0,0.7055033925022274,0.877193132753067,0.3339387293537112,0.5491227468987732,0.6164395003769447
EOS-2-10669,Clc1ccc(-c2nnc3cncc(-c4csc(OCc5ccc(Cl)nn5)n4)n23)cc1,SZKNUDQKQMPDQU-UHFFFAOYSA-N,2,1,0.411,22,140,456.318,4.591,5,0.382,0.68,1.0,0.4606692481666781,0.7159122061544788,0.4480844356109931,0.5814714550065109,0.5515343362346652
EOS-2-10670,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cncs5)c4)n23)c(Cl)c1,SPNUVPZKJLZICL-UHFFFAOYSA-N,2,1,0.523,16,659,456.318,4.591,5,0.382,0.63,1.0,0.6630114454115551,0.8657048865739154,0.6625316976218216,0.7627047495031184,0.7384881947776026
EOS-2-10671,Clc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)cn1,QHHPFLOFFXHHNL-UHFFFAOYSA-N,2,1,0.524,55,434,456.318,4.591,5,0.357,0.71,1.0,0.6048934274552806,0.7112603659790282,0.6215389623740663,0.666986498526489,0.6511698135837161
EOS-2-10672,Clc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)cn1,LBYGYDPJMYIBBH-UHFFFAOYSA-N,2,1,0.477,55,434,456.318,4.591,5,0.357,0.73,1.0,0.6536220958124872,0.8073384277979576,0.6124580220683983,0.6582910698375711,0.6829274038791036
EOS-2-10673,Clc1ccc(Cl)c(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)n1,GLTMTZBPSDXNCK-UHFFFAOYSA-N,2,1,0.506,24,912,456.318,4.591,5,0.357,0.68,1.0,0.5759886231238435,0.6672092385717223,0.47967925433486397,0.5814800219313275,0.5760892844904394
EOS-2-10674,Clc1ccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cncs5)c4)n23)cn1,KOOKHZOPBSGIKC-UHFFFAOYSA-N,2,1,0.512,55,959,456.318,4.591,5,0.357,0.7,1.0,0.6505294359536701,0.6235693235556165,0.6511805222397368,0.7042183537797272,0.6573744088821877
EOS-2-10675,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)ns4)n23)cc1,QGMROFHTTOTNRW-UHFFFAOYSA-N,2,1,0.575,4,539,456.318,4.591,5,0.357,0.79,1.0,0.629977383318484,0.8476201082859297,0.4149390034953053,0.6023661846343636,0.6237256699335206
EOS-2-10676,Clc1cc(COc2cncc3nnc(-c4nnc(-c5ccccc5Cl)s4)n23)ccn1,LJUHEYLRCVRNNS-UHFFFAOYSA-N,2,1,0.438,19,691,456.318,4.591,5,0.357,0.71,1.0,0.5411126721951888,0.5474093619354397,0.4186399150161058,0.615096634911932,0.5305646460146665
EOS-2-10677,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)cc2)nn1,RVOGUAOZEIBNJU-UHFFFAOYSA-N,2,1,0.524,72,22,456.318,4.591,5,0.382,0.73,1.0,0.6445068878075526,0.7112689329038449,0.5313463779041875,0.6120211089027483,0.6247858268795834
EOS-2-10678,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ncn2)cn1,BAHTXHOSQRHBHQ-UHFFFAOYSA-N,2,1,0.422,46,395,456.318,4.591,5,0.357,0.6,0.967,0.5904581591391954,0.5807775340963608,0.6569974641902543,0.7207696525255294,0.637250702487835
EOS-2-10679,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)cn1,VROCNSCZBWOMIT-UHFFFAOYSA-N,2,1,0.418,46,395,456.318,4.591,5,0.357,0.64,0.995,0.5514957850729902,0.609682338427798,0.6067781509149476,0.687589952710575,0.6138865567815777
EOS-2-10680,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncc(Cl)s5)n4)n23)cc1,OQQSEARLKFWNQG-UHFFFAOYSA-N,2,1,0.549,4,539,456.318,4.591,5,0.382,0.64,1.0,0.7480981426906997,0.9000325543143033,0.36364882461791515,0.5192670139126859,0.632761633883901
EOS-2-10681,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)n5)ns4)n23)cc1,NBUXFKUUXSUUAM-UHFFFAOYSA-N,2,1,0.554,4,539,456.318,4.591,5,0.357,0.71,1.0,0.6630200123363718,0.8743146460146666,0.3190579809471592,0.5360667534781715,0.5981148481940922
EOS-2-10682,Clc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2Cl)s1,PGFJYMRUIZANLY-UHFFFAOYSA-N,2,1,0.688,4,554,456.318,4.591,5,0.382,0.75,1.0,0.5386111301487219,0.7250017133849633,0.47279144678226304,0.57507196216846,0.5778690631211021
EOS-2-10683,Clc1ccc(-c2nnc3cncc(OCc4csc(-c5cncc(Cl)n5)n4)n23)cc1,XJBJMYRPSQKING-UHFFFAOYSA-N,2,1,0.542,4,32,456.318,4.591,5,0.382,0.7,1.0,0.6691282297306559,0.8601021177438147,0.4261959427044068,0.5814885888561442,0.6342287197587554
EOS-2-10684,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5nc(Cl)cs5)n4)n23)cc1,ZDPZCCOVJGTBCV-UHFFFAOYSA-N,2,1,0.575,34,335,456.318,4.591,5,0.382,0.72,1.0,0.8802943595367007,0.9386693852374751,0.37504283462408333,0.5257179082996367,0.6799311219244739
EOS-2-10685,Clc1ccc(-c2nnc3cncc(OCc4csc(-c5ncccn5)n4)n23)cc1Cl,MORPCRNMGKISOX-UHFFFAOYSA-N,2,1,0.554,4,391,456.318,4.591,5,0.382,0.7,1.0,0.6813617983688575,0.8772016996778836,0.4296141457062573,0.5654598725241587,0.6384093790692893
EOS-2-10686,Clc1cccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4csnn4)n23)c1,LFPUSLNHTBWOII-UHFFFAOYSA-N,2,1,0.483,72,820,456.318,4.591,5,0.357,0.68,1.0,0.4398430539373586,0.6331471455006511,0.48670413268453155,0.6669950654513056,0.5566723493934618
EOS-2-10687,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cscn5)cn4)n23)c(Cl)c1,NPFCNDOVQYDDPJ-UHFFFAOYSA-N,2,1,0.524,73,446,456.318,4.591,5,0.382,0.74,1.0,0.6104276608868481,0.8601106846686314,0.5718250976629429,0.6818501130834076,0.6810533890754575
EOS-2-10688,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccsn5)c(Cl)c4)n23)n1,RDBWKRMSWDBBEO-UHFFFAOYSA-N,2,1,0.466,97,335,456.318,4.591,5,0.357,0.73,1.0,0.6784062093071072,0.7204526763073127,0.5484031252141731,0.6612380919745048,0.6521250257007745
EOS-2-10689,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)o2)c1,PKRPJRKYAUKBFD-UHFFFAOYSA-N,2,1,0.437,45,730,443.681,5.469,5,0.368,0.81,1.0,0.32269892399424305,0.6282982660544171,0.8538054280035638,0.9463110821739429,0.6877784250565417
EOS-2-10690,Clc1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)c(Cl)c5)o4)n23)cc1,YQMBJMIPIVWBCN-UHFFFAOYSA-N,2,1,0.448,45,730,443.681,5.469,5,0.368,0.85,1.0,0.3770474950311836,0.6917620450962922,0.865662051949832,0.9504489068603934,0.7212301247344253
EOS-2-10691,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)c(Cl)c4)n23)c(Cl)c1,IQRQYLQPFMBNNL-UHFFFAOYSA-N,2,1,0.384,45,46,443.681,5.469,5,0.368,0.75,1.0,0.33291926530052773,0.6283068329792337,0.9175347817147557,0.9667089301624289,0.7113674525392365
EOS-2-10692,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccccc5Cl)n34)o2)cc1Cl,YGTAENLYJMHUIV-UHFFFAOYSA-N,2,1,0.463,45,730,443.681,5.469,5,0.368,0.77,1.0,0.2752038928106367,0.5703944212185594,0.8408179699814955,0.9431156192173258,0.6573829758070043
EOS-2-10693,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccccc5Cl)n34)o2)c(Cl)c1,MSWWSMCSMJQBOU-UHFFFAOYSA-N,2,1,0.456,45,730,443.681,5.469,5,0.368,0.77,1.0,0.30245528065245697,0.60019018573093,0.8107566307998081,0.9372986772668083,0.6626751936125008
EOS-2-10694,Clc1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)c(Cl)c5)no4)n23)cc1,YNSYEJSIGDBCKR-UHFFFAOYSA-N,2,1,0.462,45,102,443.681,5.469,5,0.368,0.87,1.0,0.3792920293331506,0.6379274895483518,0.8538139949283805,0.9470906723322596,0.7045310465355357
EOS-2-10695,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4Cl)n23)c(Cl)c1,FVBHLZLGKGEXAF-UHFFFAOYSA-N,2,1,0.384,45,46,443.681,5.469,5,0.368,0.76,1.0,0.307561167843191,0.5860718936330614,0.9213299294085395,0.9672572133506956,0.6955550510588719
EOS-2-10696,Clc1ccc(-c2nnc3cncc(-c4nnc(-c5cc(Cl)ccc5Cl)o4)n23)cc1,CNKCQWKJXKRGSB-UHFFFAOYSA-N,2,1,0.47,45,730,443.681,5.469,5,0.368,0.76,0.999,0.3075697347680077,0.6721180864916729,0.8393701596874786,0.9454800904667261,0.6911345178534714
EOS-2-10697,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cn5)n34)no2)nc1,GLPZPROUJAAWET-UHFFFAOYSA-N,2,1,0.406,46,128,456.344,2.951,5,0.361,0.67,1.0,0.5592488520320745,0.5908436707559455,0.4966931670207662,0.4775460900555137,0.5310829449660749
EOS-2-10698,Fc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1nnco1,JNUBZQIJCWNRQX-UHFFFAOYSA-N,2,1,0.605,27,996,456.344,2.951,5,0.361,0.67,1.0,0.9124031937495717,0.885031868960318,0.5348588170790213,0.5090638064560346,0.7103394215612364
EOS-2-10699,COc1cc(-c2nnc3cncc(-c4cnc(-c5nn[nH]n5)nc4)n23)ccc1OC(F)(F)F,IIFYPYHNROWHAP-UHFFFAOYSA-N,2,1,0.398,50,542,456.348,2.336,5,0.419,0.68,1.0,0.4655695291618121,0.4830289219381811,0.7078164622027278,0.5330083613186211,0.5473558186553354
EOS-2-10700,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)no2)c1,KRYCDRIVUDGJMU-UHFFFAOYSA-N,2,1,0.512,1,679,456.359,4.578,5,0.358,0.77,1.0,0.8783668014529504,0.8110821739428414,0.9601380988280447,0.9328781440614077,0.895616304571311
EOS-2-10701,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5cnn(OC(F)F)c5)cc4)n23)c(F)c1,HMYIEGOXEGVKMD-UHFFFAOYSA-N,2,1,0.524,13,15,456.359,4.377,5,0.353,0.72,1.0,0.7628503872250018,0.8904375985196354,0.9696388184497293,0.9581848399698444,0.8952779110410528
EOS-2-10702,Fc1ccc(-c2nocc2COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,LIYHXVORQYFWND-UHFFFAOYSA-N,2,1,0.506,1,676,456.359,4.578,5,0.282,0.71,1.0,0.89975841272017,0.7991998492221233,0.9803046398464808,0.9543382907271606,0.9084002981289836
EOS-2-10703,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(OCc3ccc(-c4cnco4)nc3)n12,JMEMUDGJTCBFIB-UHFFFAOYSA-N,2,1,0.524,27,676,456.359,4.578,5,0.358,0.7,1.0,0.9460455075046261,0.9151874443149887,0.9853162908642313,0.9587245562332944,0.9513184497292853
EOS-2-10704,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1-c1nnco1,IPXPBZKNADVULH-UHFFFAOYSA-N,2,1,0.595,43,138,456.359,4.578,5,0.358,0.7,1.0,0.9803303406209307,0.9261959427044069,0.9876293605647317,0.9692447399081625,0.965850095949558
EOS-2-10705,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)no2)cn1,QZJMAUJWEOOSLX-UHFFFAOYSA-N,2,1,0.477,27,676,456.359,4.636,5,0.272,0.69,1.0,0.7176941265163457,0.8033719416078404,0.9559488725926941,0.9364248509355082,0.8533599479130971
EOS-2-10706,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(OCc3ccc(-c4cocn4)nc3)n12,DTTSEOCBAPJWQO-UHFFFAOYSA-N,2,1,0.537,24,805,456.359,4.578,5,0.358,0.71,1.0,0.9207730792954562,0.9023456240148037,0.9831402919607978,0.9557004317730108,0.9404898567610172
EOS-2-10707,Fc1cc(F)cc(-c2nnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)o2)c1,PEQZNOUJLKZACF-UHFFFAOYSA-N,2,1,0.56,43,138,456.359,4.636,5,0.344,0.73,1.0,0.8613186210677816,0.8904461654444521,0.9232489205674731,0.9165924199849222,0.8979015317661572
EOS-2-10708,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)o2)cc1,NEBQSSHVYSXAGA-UHFFFAOYSA-N,2,1,0.512,34,372,456.359,4.636,5,0.344,0.7,1.0,0.8895894729627852,0.9225378658076897,0.922297991912823,0.9166009869097389,0.9127565793982593
EOS-2-10709,Cn1c(-c2cncc(F)c2)nnc1-c1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,ZXPXZARQHNHLSK-UHFFFAOYSA-N,2,1,0.487,22,311,456.363,3.687,5,0.381,0.77,1.0,0.4375556850113083,0.667217805496539,0.8684977040641492,0.8469518881502296,0.7050557706805565
EOS-2-10710,Cn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(F)c(F)c3F)n12,UBOWLBSXUOOJQJ-UHFFFAOYSA-N,2,1,0.429,73,446,456.363,3.117,5,0.296,0.59,1.0,0.5359725173051881,0.6818586800082242,0.5780018504557604,0.6440614077170859,0.6099736138715646
EOS-2-10711,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncnn5C(F)F)n34)cc2F)cn1,MAIPKCLQZDKRFK-UHFFFAOYSA-N,2,1,0.456,16,610,456.363,3.697,5,0.284,0.63,1.0,0.6273302035501337,0.6574857789048043,0.8164879035021588,0.7959444177917895,0.7243120759372216
EOS-2-10712,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccn(C(F)F)n5)c(F)n4)n23)nc1,CQWPDYUKPHERQV-UHFFFAOYSA-N,2,1,0.432,46,223,456.363,3.697,5,0.284,0.61,1.0,0.46557809608662876,0.5614591186347748,0.8107651977246247,0.754848879446234,0.6481628229730656
EOS-2-10713,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)c(F)c1,BRLFXXFSZUGLRZ-UHFFFAOYSA-N,2,1,0.457,27,468,456.363,3.697,5,0.36,0.59,1.0,0.5004197793160168,0.6235778904804331,0.8581916935096977,0.8045627441573573,0.6966880268658763
EOS-2-10714,COc1ccc(F)cc1-c1nnc2cncc(-c3nnn(Cc4ccc(F)c(F)c4F)n3)n12,JAWNKTHXWTZAHD-UHFFFAOYSA-N,2,1,0.33,22,221,456.363,3.058,5,0.296,0.75,0.979,0.3129925981769584,0.43518264683709135,0.7028390788842437,0.7523901720238503,0.5508511239805359
EOS-2-10715,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)ncc1-c1cc[nH]n1,MCNFNOGRGGGEGH-UHFFFAOYSA-N,2,1,0.516,27,69,456.363,3.708,5,0.402,0.67,1.0,0.7884826262764718,0.8440219998629293,0.9447690357069426,0.8719501747652663,0.8623059591529025
EOS-2-10716,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)cc1F,JVYFJAGGRGWZEW-UHFFFAOYSA-N,2,1,0.462,27,468,456.363,3.697,5,0.36,0.67,1.0,0.5233448701254197,0.6331557124254678,0.8910801178808855,0.8373312315811117,0.7212279830032211
EOS-2-10717,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cn(C(F)F)nn5)cc4)n23)c(F)c1,DMSGKBUVAXITHP-UHFFFAOYSA-N,2,1,0.478,27,526,456.363,3.697,5,0.36,0.65,1.0,0.5464070317318895,0.5704029881433761,0.842505654170379,0.8002792817490234,0.689898738948667
EOS-2-10718,Cn1nc(-c2ccc(F)cn2)cc1Oc1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12,MRWVRSUJFFIOBC-UHFFFAOYSA-N,2,1,0.495,27,706,456.363,3.932,5,0.378,0.73,1.0,0.6019292714687136,0.7112774998286615,0.9028168048797204,0.7911640737440888,0.751796912480296
EOS-2-10719,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)ccc1C(F)(F)F,BYYZJHQMCIVNNN-UHFFFAOYSA-N,2,1,0.595,43,499,456.363,3.708,5,0.402,0.76,1.0,0.9411880611335754,0.8823332876430676,0.9753615242272634,0.9398173531629086,0.9346750565417037
EOS-2-10720,Cn1nc(-c2cnccn2)cc1Oc1cncc2nnc(-c3ccc(C(F)(F)F)cc3F)n12,RMXXBFRQZMCFKG-UHFFFAOYSA-N,2,1,0.424,27,706,456.363,3.932,5,0.378,0.64,1.0,0.5564131999177575,0.6868531971763416,0.9441607840449592,0.880337194160784,0.7669410938249606
EOS-2-10721,Fc1cccc(F)c1Cn1nnc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,MOMNEYNDUQQHIW-UHFFFAOYSA-N,2,1,0.479,22,221,456.363,3.373,5,0.362,0.69,0.998,0.4492581043108766,0.72501028030978,0.7766003015557535,0.8373397985059283,0.6970521211705847
EOS-2-10722,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)c(F)n4)n23)c1,JCZDGYDUUYTKCV-UHFFFAOYSA-N,2,1,0.388,46,62,456.363,3.697,5,0.284,0.57,0.99,0.702265094921527,0.5754746076348434,0.8923223219793023,0.8538653964772805,0.7559818552532384
EOS-2-10723,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C(F)F)c5)nn4)n23)c(F)c1,JESVYWPUEPDRSM-UHFFFAOYSA-N,2,1,0.5,34,10,456.363,3.697,5,0.36,0.67,1.0,0.5309094647385375,0.7066256596532109,0.862800699061065,0.8294068261256939,0.7324356623946269
EOS-2-10724,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)cn4)n23)c1F,OPFVLTYDIKUUEY-UHFFFAOYSA-N,2,1,0.378,46,564,456.363,3.697,5,0.36,0.57,0.988,0.7145671989582619,0.57548317455966,0.9201905284079227,0.8831728462751011,0.7733534370502364
EOS-2-10725,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5F)n34)nn2)cn1,BUPDZCBZENIQJR-UHFFFAOYSA-N,2,1,0.418,36,706,456.363,3.932,5,0.378,0.76,1.0,0.5759971900486601,0.769652525529436,0.9612346652045781,0.9066033856486876,0.8033719416078405
EOS-2-10726,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(F)c(F)c3F)n12,RXHCKJADOLBWOF-UHFFFAOYSA-N,2,1,0.441,73,665,456.363,3.117,5,0.296,0.57,1.0,0.5286991981358372,0.6477794530875197,0.697621821670893,0.6988040572955931,0.6432261325474607
EOS-2-10727,Fc1nc(C(F)(F)F)ccc1COc1cncc2nnc(-c3ccnc(-c4cc[nH]n4)c3)n12,JPWHYBYQPMMYME-UHFFFAOYSA-N,2,1,0.442,27,51,456.363,3.708,5,0.317,0.53,1.0,0.8182783907888425,0.7159207730792955,0.9365704886573916,0.8432938112535124,0.8285158659447605
EOS-2-10728,Fc1c(-c2nnc3cncc(OCc4cc(-c5ncccn5)n[nH]4)n23)ccc(C(F)F)c1F,XUZVBUZWPQZOQH-UHFFFAOYSA-N,2,1,0.406,73,242,456.363,3.766,5,0.388,0.64,0.599,0.6505380028784867,0.729550750462614,0.8841237749297512,0.837348365430745,0.7753902234253993
EOS-2-10729,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4cc(F)cc(C(F)(F)F)c4)n23)c1,COTYHJCMLBRZKI-UHFFFAOYSA-N,2,1,0.54,61,941,456.363,3.932,5,0.378,0.74,1.0,0.6161760674388321,0.7250188472345966,0.9415136042766089,0.9055582208210541,0.7970666849427729
EOS-2-10730,Cn1nc(-c2cccnn2)cc1Oc1cncc2nnc(-c3ccc(C(F)(F)F)c(F)c3)n12,ASBBTNDACCVDRE-UHFFFAOYSA-N,2,1,0.427,36,706,456.363,3.932,5,0.378,0.66,1.0,0.6299859502433006,0.7159293400041121,0.9394318415461586,0.8704509629223494,0.7889495236789802
EOS-2-10731,Cn1cc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(-c2ccc(F)c(F)c2)n1,DGINJQOQFOQRGZ-UHFFFAOYSA-N,2,1,0.363,45,102,456.378,5.156,5,0.352,0.79,1.0,0.3329278322253444,0.5704115550681927,0.9947227743129327,0.9927266808306491,0.7226972106092797
EOS-2-10732,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nn6)nc5)n34)nn2)nc1,KOFYMVYJQJHVQB-UHFFFAOYSA-N,2,1,0.28,99,312,456.38,1.959,6,0.387,0.58,0.981,0.030249811527654033,0.12461448838324996,0.1360170653142348,0.19428928791720923,0.12129266328558701
EOS-2-10733,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4cccc(C(F)(F)F)n4)n23)n(C)n1,FAEZAHDJYMGHFP-UHFFFAOYSA-N,2,1,0.33,36,292,456.392,3.009,5,0.397,0.5,0.743,0.40780275512302105,0.41711500239873894,0.38251319306421766,0.2465389623740662,0.36349247824001096
EOS-2-10734,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(F)c(-c4nnco4)c3)n12,FBPPNGQFFPEMBK-UHFFFAOYSA-N,2,1,0.345,3,340,456.397,3.706,6,0.378,0.69,1.0,0.7085446508121445,0.6145055170995819,0.5449677883626893,0.46848228359947913,0.5841250599684737
EOS-2-10735,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1-c1nnco1,MIMHPHSLRWVHLH-UHFFFAOYSA-N,2,1,0.61,77,323,456.397,3.609,6,0.366,0.7,1.0,0.9342574189568912,0.7948649852648894,0.5581779864299911,0.4958193406894661,0.6957799328353094
EOS-2-10736,Fc1ccnc(COc2cncc3nnc(-c4cccc(-c5cnc(-c6nnco6)o5)c4)n23)c1,POJFDWKIJJRJRW-UHFFFAOYSA-N,2,1,0.533,81,218,456.397,3.609,6,0.366,0.65,1.0,0.5491056130491399,0.5288534027825372,0.3750514015489,0.36090740867658144,0.45347945651428967
EOS-2-10737,COc1nc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3F)n12,WIAVVRPJVPAZJB-UHFFFAOYSA-N,2,1,0.323,42,693,456.397,3.706,6,0.378,0.63,1.0,0.6691367966554725,0.5474179288602563,0.43720444109382495,0.357437804125831,0.5027992426838461
EOS-2-10738,Fc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cc1,PUFLCJMDPPWMOT-UHFFFAOYSA-N,2,1,0.529,77,937,456.397,3.609,6,0.366,0.72,1.0,0.7567507367555343,0.7018624494551435,0.34092077307929547,0.35114111438558016,0.5376687684188883
EOS-2-10739,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6conn6)n5)n34)no2)cc1,DXUVLQCCZNBRDC-UHFFFAOYSA-N,2,1,0.418,81,218,456.397,3.609,6,0.366,0.6,0.966,0.3747344253306833,0.35521897059831403,0.3825217599890343,0.404864299910904,0.3793348639572339
EOS-2-10740,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cocn6)n5)n34)no2)nc1,DWOICERJHDPOEO-UHFFFAOYSA-N,2,1,0.447,28,297,456.397,3.609,6,0.366,0.57,1.0,0.44431498869165925,0.3166421081488589,0.31906654787197586,0.31020834761154137,0.34755799808100885
EOS-2-10741,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)no2)nc1,NKDLBMFTTGALQU-UHFFFAOYSA-N,2,1,0.461,40,518,456.397,3.609,6,0.366,0.67,1.0,0.6993694743334933,0.6235864574052498,0.3078010417380577,0.31624802960729215,0.4867512507710232
EOS-2-10742,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccon6)n5)n34)cc2)nc1,KMBBOUJURLVVPJ-UHFFFAOYSA-N,2,1,0.456,28,59,456.397,3.609,6,0.366,0.71,1.0,0.6357172229456515,0.5807861010211774,0.2709803988760195,0.30049345486944007,0.4469942944280721
EOS-2-10743,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)no2)cn1,LZUDKEVWICOXFB-UHFFFAOYSA-N,2,1,0.436,56,425,456.401,2.74,6,0.371,0.61,1.0,0.6328558700568844,0.5062452881913508,0.20705400589404427,0.20284764580906037,0.38725070248783494
EOS-2-10744,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)o2)nc1,TVHIYKMLIURDNI-UHFFFAOYSA-N,2,1,0.438,81,117,456.401,2.74,6,0.397,0.57,1.0,0.5934908505242958,0.5333510383112878,0.2139675142210952,0.235042149270098,0.3939628880816942
EOS-2-10745,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cc1,WCGCGPFNQYFPNO-UHFFFAOYSA-N,2,1,0.478,67,288,456.401,2.535,6,0.368,0.56,1.0,0.41009012404907136,0.3981906654787198,0.1669093962031389,0.20867315468439449,0.2959658351038311
EOS-2-10746,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1-c1nnco1,AJFBNOJIWUDSOD-UHFFFAOYSA-N,2,1,0.553,67,499,456.401,2.74,6,0.397,0.67,1.0,0.8723014186827497,0.6672263724213556,0.43348639572339115,0.4019858131725036,0.59375
EOS-2-10747,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5cocn5)n4)n23)ccc1-c1nn[nH]n1,BSBPJRUFZMHTEJ-UHFFFAOYSA-N,2,1,0.527,81,609,456.401,2.74,6,0.397,0.61,1.0,0.687358645740525,0.5704201219930094,0.3078096086628744,0.29739222808580634,0.46574515112055376
EOS-2-10748,Fc1cc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,TYHJURDFAVDAAB-UHFFFAOYSA-N,2,1,0.5,67,245,456.401,2.74,6,0.397,0.65,1.0,0.8477229113837297,0.6424679597011856,0.4517682132821602,0.41479336577342196,0.5891881125351244
EOS-2-10749,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)ccc1-c1nnco1,PHQMIBMUJUVCPB-UHFFFAOYSA-N,2,1,0.571,67,499,456.401,2.74,6,0.397,0.68,1.0,0.8840295387567678,0.6770183674868069,0.4372130080186416,0.40199438009732025,0.6000638235898841
EOS-2-10750,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)o2)c1,AUSJRLAIQJRTFL-UHFFFAOYSA-N,2,1,0.511,56,893,456.401,2.74,6,0.397,0.62,1.0,0.6993780412583099,0.5754917414844767,0.32628846549242685,0.310216914536358,0.4778437906928929
EOS-2-10751,Fc1cncc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,MKJBHSRHSCBCMY-UHFFFAOYSA-N,2,1,0.447,56,425,456.401,2.74,6,0.397,0.68,1.0,0.6273387704749503,0.5520526351860736,0.19646528682064285,0.20868172160921117,0.3961346035227195
EOS-2-10752,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)nn2)cc1,NMXNMRJQHKZTHY-UHFFFAOYSA-N,2,1,0.51,6,826,456.401,2.535,6,0.368,0.61,0.999,0.1438900692207525,0.19518881502295937,0.22094955794667945,0.24380611335754918,0.20095863888698515
EOS-2-10753,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)no2)nc1,WFTCETRKALUOBY-UHFFFAOYSA-N,2,1,0.436,56,425,456.401,2.74,6,0.397,0.69,1.0,0.6536306627373039,0.5288619697073539,0.1669179631279556,0.18071071208279077,0.382530326913851
EOS-2-10754,Cn1nc(-c2ncc(Oc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nn2)cc1F,ZCNAQULAKADOTB-UHFFFAOYSA-N,2,1,0.385,67,622,456.401,2.963,6,0.381,0.64,1.0,0.4730313206771297,0.45251353574121034,0.16067267493660475,0.1512147899390035,0.3093580803234871
EOS-2-10755,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)n2)cc1,DLQNZPJTJWLMBA-UHFFFAOYSA-N,2,1,0.374,6,826,456.401,2.535,6,0.368,0.61,0.999,0.25174765266260024,0.21411315194297856,0.18310088410664108,0.20285621273387705,0.21295447536152423
EOS-2-10756,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)no2)cc1,OEGVEJNPDWDVEX-UHFFFAOYSA-N,2,1,0.506,67,893,456.401,2.74,6,0.397,0.75,1.0,0.632864436981701,0.5954269755328627,0.2317181824412309,0.2617538208484682,0.43044085395106574
EOS-2-10757,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nn4)n23)ccc1-c1nc[nH]n1,BXTBTMLKYSLHRR-UHFFFAOYSA-N,2,1,0.479,81,820,456.401,2.74,6,0.397,0.54,0.999,0.6873672126653416,0.5860804605578781,0.28263141662668767,0.2705092180111027,0.45664707696525253
EOS-2-10758,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)c1,FYICZHRIBICKTB-UHFFFAOYSA-N,2,1,0.489,67,941,456.401,2.963,6,0.381,0.69,1.0,0.5027756836406003,0.5614676855595915,0.2604088136522514,0.2824086765814543,0.4017652148584744
EOS-2-10759,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cnc(-c4nc[nH]n4)cc3F)n12,QALLYJVVBQRWAH-UHFFFAOYSA-N,2,1,0.296,98,727,456.401,2.836,6,0.411,0.62,0.912,0.5233534370502364,0.515163456925502,0.31907511479679257,0.2733191693509698,0.40772779453087515
EOS-2-10760,Cn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4F)n23)cnn1,JVUXFMILLSLECI-UHFFFAOYSA-N,2,1,0.381,71,870,456.401,2.963,6,0.381,0.65,0.996,0.49027654033308204,0.47009286546501267,0.35981940922486466,0.3253461037625934,0.41138372969638815
EOS-2-10761,Fc1cccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)c1,OMWNRRDFAAKISQ-UHFFFAOYSA-N,2,1,0.5,56,893,456.401,2.74,6,0.397,0.72,1.0,0.5678757453224591,0.5807946679459941,0.21723151257624562,0.25256151052018366,0.40461585909122066
EOS-2-10762,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3cccc(-c4ncon4)n3)n12,LIXQZYLSQIOOQC-UHFFFAOYSA-N,2,1,0.469,56,425,456.401,2.74,6,0.397,0.59,1.0,0.627347337399767,0.5566188061133576,0.24593927763689946,0.23803200603111507,0.4169843567952848
EOS-2-10763,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)o2)cc1,DOTRCBFRZNQVCD-UHFFFAOYSA-N,2,1,0.5,67,937,456.401,2.74,6,0.397,0.72,1.0,0.7177026934411623,0.7112860667534782,0.24594784456171612,0.27642896305942016,0.48784139195394416
EOS-2-10764,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)cc1,OPWUEDQSZRWXDO-UHFFFAOYSA-N,2,1,0.478,67,288,456.405,1.665,6,0.392,0.6,1.0,0.4443235556164759,0.46557809608662876,0.09989034336234665,0.1412086217531355,0.28775015420464667
EOS-2-10765,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)cn5)n34)c(F)c2)o1,IBGTXDPWKULNJG-UHFFFAOYSA-N,2,1,0.325,99,286,456.405,1.936,6,0.382,0.59,1.0,0.24091049276951546,0.29128401069152215,0.04203790007538894,0.053551847028990476,0.15694606264135427
EOS-2-10766,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nn5)n34)c(F)c2)o1,JQAPZQAIMVDVTE-UHFFFAOYSA-N,2,1,0.325,98,63,456.405,1.936,6,0.382,0.59,0.994,0.23813480912891508,0.30632753066959084,0.03914227948735522,0.05231820985539031,0.15898070728531286
EOS-2-10767,Fc1cccc(-n2nnnc2COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1,LZPURVNKYAXAAX-UHFFFAOYSA-N,2,1,0.452,67,499,456.405,1.665,6,0.392,0.68,1.0,0.5233620039750532,0.5333596052361045,0.10513330135014735,0.1617778082379549,0.33090817969981495
EOS-2-10768,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ncc(-c5nn[nH]n5)cn4)n23)c(F)c1,WTJJPGVDTZDODT-UHFFFAOYSA-N,2,1,0.361,56,353,456.405,2.093,6,0.408,0.68,1.0,0.5004283462408334,0.46144883832499484,0.1481221300801864,0.13228188609416763,0.3105703001850456
EOS-2-10769,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cc5F)n34)cc2F)o1,QPYSCOPXJGEAHG-UHFFFAOYSA-N,2,1,0.325,69,192,456.412,5.355,6,0.353,0.66,1.0,0.3906432047152354,0.4743934617229799,0.8598279761496813,0.8272222602974436,0.6380217257213351
EOS-2-10770,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)nc(C(F)F)n2)nc1,DDNSGVUCDJRUCW-UHFFFAOYSA-N,2,1,0.391,7,775,456.413,3.756,5,0.381,0.65,0.982,0.7145757658830786,0.5954355424576794,0.3861712699609348,0.3641200054828319,0.5150756459461312
EOS-2-10771,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)cnn2)s1,HTCYJCMECGKXEW-UHFFFAOYSA-N,2,1,0.404,46,915,456.413,3.756,5,0.381,0.66,0.998,0.6161846343636488,0.5614762524844082,0.627116030429717,0.587528270851895,0.5980762970324173
EOS-2-10772,Fc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cs1,VBPMFELQHSSFOX-UHFFFAOYSA-N,2,1,0.446,27,69,456.413,3.756,5,0.381,0.64,1.0,0.6273559043245837,0.6818672469330409,0.6067867178397642,0.522462476869303,0.6096180864916729
EOS-2-10773,Cc1nnc(-c2cnc(Oc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c(F)c2)s1,LCPSXJMBZIXVTI-UHFFFAOYSA-N,2,1,0.421,27,69,456.413,4.277,5,0.386,0.74,1.0,0.6133575491741484,0.6967394284147762,0.5484116921389898,0.46528682064286203,0.5809488725926941
EOS-2-10774,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)cc1,UZXRTATXWVAFOJ-UHFFFAOYSA-N,2,1,0.512,72,51,456.413,3.698,5,0.394,0.74,1.0,0.5934994174491125,0.6331642793502844,0.8567524501404976,0.772513878418203,0.7139825063395244
EOS-2-10775,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(F)cc(F)c6)nn5)n34)cc2)o1,WMDXQHYKKIJDES-UHFFFAOYSA-N,2,1,0.306,3,783,456.416,4.281,6,0.39,0.67,1.0,0.0914433554931122,0.24990576382701665,0.6976303885957097,0.7070368720444109,0.4365040949900624
EOS-2-10776,Cc1ccc(F)cc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncco5)c(F)c4)n23)nn1,PODHOGONMVUFST-UHFFFAOYSA-N,2,1,0.304,3,783,456.416,4.281,6,0.39,0.64,1.0,0.11389726543759852,0.2092557055719279,0.6731461174696731,0.6934240285107258,0.42243077924748135
EOS-2-10777,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)c(F)c6)n5)n34)cc2)o1,HZBUCKRLTVTFNB-UHFFFAOYSA-N,2,1,0.321,3,289,456.416,4.281,6,0.39,0.67,1.0,0.13315571242546775,0.3405095606880954,0.6676718525118224,0.6670036323761223,0.4520851895003769
EOS-2-10778,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cc2F)o1,YCPCRQABLBSRQW-UHFFFAOYSA-N,2,1,0.321,96,7,456.416,4.485,6,0.416,0.64,1.0,0.35156946062641353,0.4394232746213419,0.7766088684805702,0.7523987389486669,0.5800000856692482
EOS-2-10779,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4F)n23)c1,NXGVFEKTVKYTLE-UHFFFAOYSA-N,2,1,0.321,3,192,456.416,4.187,6,0.392,0.71,1.0,0.2918665615790556,0.3791977931601672,0.6895175107943252,0.7015968747858269,0.5155446850798437
EOS-2-10780,N#Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c(F)c1,PCFXITRRDKPBBG-UHFFFAOYSA-N,2,1,0.484,2,904,456.416,3.415,5,0.382,0.69,1.0,0.8407665684325955,0.8228102940168597,0.8063275306695908,0.7890737440888219,0.8147445343019669
EOS-2-10781,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)o4)n23)cn1,RRLCSZSCBINDET-UHFFFAOYSA-N,2,1,0.311,86,812,456.416,4.187,6,0.367,0.59,0.76,0.2752124597354534,0.3216280583921596,0.6511890891645535,0.6263878418203002,0.4686043622781167
EOS-2-10782,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cc4F)n23)c(F)c1,NJRGHYHKGSZFHJ-UHFFFAOYSA-N,2,1,0.321,3,192,456.416,4.187,6,0.392,0.67,1.0,0.26743369200191897,0.32611712699609346,0.6814988691659242,0.6818586800082242,0.4892270920430402
EOS-2-10783,FC(F)n1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cc2)cn1,YSUNYORDLZWNOX-UHFFFAOYSA-N,2,1,0.313,42,57,456.416,4.767,6,0.368,0.74,1.0,0.2462219861558495,0.27556370365293675,0.8361404290315948,0.7702436433417861,0.5320424405455417
EOS-2-10784,N#Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)cn1,VZLOSGLCJXYJJM-UHFFFAOYSA-N,2,1,0.5,27,69,456.416,4.032,5,0.376,0.71,1.0,0.8385734356795285,0.7824857789048043,0.8958861627030361,0.8214652868206429,0.834602666027003
EOS-2-10785,Cn1nncc1-c1cc(-c2cncc3nnc(-c4ccc(-c5c(F)cccc5F)cc4)n23)no1,SOCONUWJSDVOQL-UHFFFAOYSA-N,2,1,0.321,3,572,456.416,4.187,6,0.392,0.62,1.0,0.19384380782674251,0.36468542252073194,0.689526077719142,0.7445171681173326,0.4981431190459873
EOS-2-10786,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6F)nn5)n34)cc2)o1,HRHMRBPQQTVKBF-UHFFFAOYSA-N,2,1,0.294,3,783,456.416,4.281,6,0.39,0.62,1.0,0.10608423000479748,0.3063360975944075,0.6976389555205263,0.7016054417106435,0.4529161812075937
EOS-2-10787,Cn1c(-c2ccc(F)cc2F)nnc1-c1cncc2nnc(-c3ccc(-c4ncco4)cc3)n12,AMCOONPGUIHGSF-UHFFFAOYSA-N,2,1,0.359,3,474,456.416,4.187,6,0.392,0.74,1.0,0.232463504900281,0.4215098348296895,0.49002809951339865,0.5845384140908779,0.4321349633335617
EOS-2-10788,Cn1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)c(-c2ccc(F)cc2)n1,XCKYJKBYPFYZQU-UHFFFAOYSA-N,2,1,0.35,3,923,456.416,4.187,6,0.392,0.72,1.0,0.20505791241176066,0.3552275375231307,0.6786803509012405,0.7207782194503461,0.4899360050716195
EOS-2-10789,Cn1ncc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cc2F)n1,ZTHLQCBSRIJUBQ-UHFFFAOYSA-N,2,1,0.342,3,192,456.416,4.187,6,0.392,0.75,1.0,0.3494791309711466,0.37448598451099996,0.7812264409567542,0.762713316427935,0.566976218216709
EOS-2-10790,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)c(F)c2)o1,VVFVOPXQSVXQAH-UHFFFAOYSA-N,2,1,0.374,3,673,456.416,4.281,6,0.39,0.73,1.0,0.06225584264272497,0.2703892810636694,0.6704304023027894,0.6934325954355425,0.42412703036118155
EOS-2-10791,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6F)c5)n34)cc2)o1,DQAAXBAEKRMWBR-UHFFFAOYSA-N,2,1,0.315,3,150,456.416,4.281,6,0.39,0.7,1.0,0.08636316907682819,0.29642416558152285,0.6786889178260571,0.6788174216983072,0.4350734185456788
EOS-2-10792,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)cn2)nc1,NNBVTGGCZAWWGU-UHFFFAOYSA-N,2,1,0.527,65,265,456.416,3.415,5,0.382,0.67,1.0,0.9178860256322391,0.9342831197313413,0.7917551915564389,0.7653776300459187,0.8523254917414844
EOS-2-10793,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cc2F)o1,IQVOYSJMMVHTSR-UHFFFAOYSA-N,2,1,0.356,3,118,456.416,4.281,6,0.39,0.65,1.0,0.09621513261599617,0.3012216434788568,0.6394524021657186,0.6612466588993215,0.4245339592899733
EOS-2-10794,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)c1-c1ccc(F)cc1,RRBDTGOLVXOMHG-UHFFFAOYSA-N,2,1,0.359,3,923,456.416,4.187,6,0.392,0.7,1.0,0.2595521211705846,0.36469398944554865,0.6895346446439586,0.7341340552395312,0.5119787026249057
EOS-2-10795,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)c(F)c2)n1,HZPCTZURPIOBKX-UHFFFAOYSA-N,2,1,0.36,3,673,456.416,4.281,6,0.39,0.78,1.0,0.11091597560139813,0.24991433075183334,0.667680419436639,0.6875985196353916,0.42902731135631555
EOS-2-10796,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)cc1F,CFVYJZZQVBEEPU-UHFFFAOYSA-N,2,1,0.573,84,76,456.416,3.415,5,0.357,0.7,1.0,0.9285518470289905,0.9463796175724762,0.8343499417449113,0.7773284901651704,0.8716524741278872
EOS-2-10797,FC(F)n1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)nc2)cn1,MJILCPWJTFOFBL-UHFFFAOYSA-N,2,1,0.325,70,191,456.416,4.767,6,0.368,0.75,1.0,0.14652011513946953,0.21915907065999587,0.7720855321773696,0.710026728805428,0.4619478616955658
EOS-2-10798,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)c(F)c6)n5)n34)cc2)o1,QZGRZWAEYAFAEA-UHFFFAOYSA-N,2,1,0.302,3,783,456.416,4.281,6,0.39,0.63,1.0,0.15240559248852031,0.36007641696936465,0.6815074360907408,0.6758532657117401,0.4674606778150915
EOS-2-10799,Fc1ccc(Cn2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1F,RNNFNGDRVHEJGA-UHFFFAOYSA-N,2,1,0.35,3,7,456.42,3.161,6,0.424,0.64,1.0,0.20506647933657735,0.3697056404632993,0.5145552052635186,0.5654684394489754,0.4136989411280927
EOS-2-10800,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-n5ccnn5)cc4F)n23)c(F)c1,QMPFTMJJDJFPTI-UHFFFAOYSA-N,2,1,0.302,10,219,456.42,3.113,6,0.401,0.63,1.0,0.0517613597423069,0.1820300185045576,0.6300202179425674,0.652568364060037,0.37909499006236724
EOS-2-10801,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncc(F)cn6)c5)n34)cc2F)n[nH]1,BFLYTLYNDNZUOO-UHFFFAOYSA-N,2,1,0.293,42,151,456.42,3.411,6,0.432,0.66,0.89,0.02349050784730313,0.16144369817010487,0.4796878212596806,0.492649578507299,0.2893179014460969
EOS-2-10802,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5F)nn4)n23)cc1,ZNWRFEKPKZLPQP-UHFFFAOYSA-N,2,1,0.306,98,39,456.42,3.113,6,0.401,0.71,1.0,0.0367778082379549,0.19060551024604208,0.4796963881844973,0.5330169282434377,0.310024158727983
EOS-2-10803,Cn1nc(-c2ccnc(F)c2)cc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3F)n12,PXBGMRQPLDQUAM-UHFFFAOYSA-N,2,1,0.297,98,154,456.42,3.317,6,0.405,0.68,1.0,0.1109245425262148,0.2964327325063395,0.5552223973682407,0.5622387087930917,0.3812045952984717
EOS-2-10804,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ncc(F)cn5)c4)n23)c(F)c1,WACPPZOKVZPBSL-UHFFFAOYSA-N,2,1,0.301,42,151,456.42,3.113,6,0.401,0.63,1.0,0.03981049962305531,0.16530738126242203,0.4694589130285793,0.47454766636967993,0.2872811150709341
EOS-2-10805,COc1nnc(-c2cnc(OC)c(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)c2)o1,MWOMHEIHWYIHGV-UHFFFAOYSA-N,2,1,0.5,89,250,456.422,2.704,5,0.356,0.82,0.996,0.7330117880885477,0.452522102666027,0.2826399835515043,0.14853334247138647,0.40417680419436636
EOS-2-10806,Fc1ccc(COc2cncc3nnc(-c4csc(-c5ccc(F)c(F)c5)c4)n23)cc1F,JWJCOWZFEHWKEN-UHFFFAOYSA-N,2,1,0.667,59,13,456.424,5.655,5,0.321,0.68,1.0,0.8613271879925982,0.8337930916318278,0.9879377698581318,0.989454115550682,0.9181280412583099
EOS-2-10807,Fc1cc(-c2cccs2)ccc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3F)n12,GVJIJZCCRDMIBK-UHFFFAOYSA-N,2,1,0.422,96,46,456.424,6.066,5,0.302,0.74,1.0,0.6753563840723734,0.9091220615447879,0.9894712494003153,0.9910132958673155,0.8912407477211979
EOS-2-10808,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnnn6C)on5)n34)cc2)o1,DHSZNKQFZWUAHZ-UHFFFAOYSA-N,2,1,0.535,56,415,456.426,2.512,6,0.364,0.72,1.0,0.34004694674799535,0.245048317455966,0.052189705983140294,0.041909396203138924,0.16979859159756014
EOS-2-10809,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)no2)n1C,OVQJJGJKTMHPIM-UHFFFAOYSA-N,2,1,0.462,71,117,456.426,2.512,6,0.364,0.61,1.0,0.3278990473579604,0.1997549859502433,0.03377938455212117,0.02603488451785347,0.1468670755945446
EOS-2-10810,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4noc(-c5cnco5)n4)n23)c1,GMNIQRXCWIYZDP-UHFFFAOYSA-N,2,1,0.333,80,211,456.426,2.687,6,0.349,0.6,1.0,0.17126139401000617,0.09863957233911315,0.04517339455828936,0.03171475567130423,0.08669727914467822
EOS-2-10811,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nc5)n34)o2)n1C,RSMOCAPVOPNEON-UHFFFAOYSA-N,2,1,0.418,53,794,456.426,2.512,6,0.364,0.59,0.88,0.205075046261394,0.015411897745185388,0.03378795147693784,0.02255671304228634,0.0692079021314509
EOS-2-10812,Cc1nnc(-c2cccc(-c3nnc4cncc(C(F)(F)c5ccc(F)cc5F)n34)c2)s1,WILGPIQRSQHUOR-UHFFFAOYSA-N,2,1,0.392,14,358,456.428,5.037,5,0.355,0.71,1.0,0.3024638475772737,0.5425090809403057,0.9732112260982798,0.9550065108628607,0.6932976663696799
EOS-2-10813,Cn1cnnc1-c1cc(-c2cc(-c3nnc4cncc(OCc5cncnc5)n34)nn2C)no1,GOTRSTJVOUDHOE-UHFFFAOYSA-N,2,1,0.364,99,502,456.43,1.344,6,0.357,0.56,1.0,0.17397710917688985,0.04938832156808992,0.021485847440202866,0.015377630045918717,0.06505722705777534
EOS-2-10814,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cn(C)nn6)no5)n34)nc2)n[nH]1,NZGDQXPFIWHUPC-UHFFFAOYSA-N,2,1,0.373,33,833,456.43,1.642,6,0.387,0.62,0.874,0.2517562195874169,0.18203858542937426,0.022616681516003014,0.012250702487834967,0.11716554725515727
EOS-2-10815,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)n(C)n2)o1,QCDQNXCECANYDL-UHFFFAOYSA-N,2,1,0.382,67,789,456.43,1.866,6,0.373,0.61,1.0,0.2947536152422726,0.20926427249674456,0.015086354602152012,0.006630799808100884,0.1314337605373175
EOS-2-10816,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)n1C,NLYLFXUUPXHAPM-UHFFFAOYSA-N,2,1,0.36,99,502,456.43,1.344,6,0.357,0.63,0.936,0.24334349941744912,0.1423480227537523,0.022625248440819683,0.01587451168528545,0.10604782057432664
EOS-2-10817,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,BRCVKXIVLGYILV-UHFFFAOYSA-N,2,1,0.431,36,447,456.434,0.474,6,0.37,0.62,1.0,0.3227074909190597,0.2859468165307381,0.009963333561784662,0.006348091289150847,0.15624143307518334
EOS-2-10818,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4)n23)n(C)n1,KHUJEYDSXQOWCV-UHFFFAOYSA-N,2,1,0.305,99,292,456.434,1.171,6,0.382,0.58,0.98,0.22422212322664656,0.19061407717085874,0.007770200808717703,0.003812281543417175,0.10660467068741004
EOS-2-10819,COc1ccc(-c2nnc3cncc(OCc4ccc(S(C)(=O)=O)cn4)n23)cc1[N+](=O)[O-],FGKPGSALVFECLA-UHFFFAOYSA-N,2,1,0.534,90,636,456.44,2.086,4,0.298,0.76,0.993,0.4144935234048386,0.19976355287505998,0.16692653005277225,0.030669590843670755,0.20296329929408538
EOS-2-10820,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)n6C)o5)n34)cc2F)o1,YRRMLGZIWORJRS-UHFFFAOYSA-N,2,1,0.318,98,314,456.441,4.258,6,0.387,0.68,1.0,0.26219930093893495,0.35032725652799673,0.26041738057706804,0.2525700774450003,0.28137850387225
EOS-2-10821,COc1cc(C#N)cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)nn2C)c1,KWJOLNGTUXRBEN-UHFFFAOYSA-N,2,1,0.423,95,694,456.441,3.185,5,0.358,0.72,0.999,0.44679082996367625,0.3792063600849839,0.6868103625522582,0.5688009732026592,0.5204021314508944
EOS-2-10822,Cc1nnc(-c2onc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)c2F)n1C,AEPWJTBJYCFIJM-UHFFFAOYSA-N,2,1,0.316,98,42,456.445,3.09,6,0.397,0.54,1.0,0.2022308272222603,0.2141217188677952,0.05219827290795696,0.06396922760605853,0.13313001165101776
EOS-2-10823,c1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cn2)o1,LRMFDZDUKKEBBW-UHFFFAOYSA-N,2,1,0.471,71,117,456.451,2.729,6,0.365,0.61,1.0,0.32790761428277704,0.31665067507367556,0.10761770954698102,0.1052789390720307,0.21436373449386606
EOS-2-10824,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6nncs6)no5)n34)cc2)c1,CERLXXSPVGTXFX-UHFFFAOYSA-N,2,1,0.462,71,117,456.451,2.729,6,0.365,0.68,1.0,0.3840209718319512,0.4394318415461586,0.035090124049071345,0.04567027619765609,0.2260533034062093
EOS-2-10825,c1cc(-c2ncon2)nc(COc2cncc3nnc(-c4ccc(-c5cscn5)cn4)n23)n1,GEKXOIUPKCKJGP-UHFFFAOYSA-N,2,1,0.398,80,34,456.451,2.729,6,0.365,0.63,1.0,0.340055513672812,0.2805239531217874,0.052206839832773626,0.04842882598862312,0.18030378315399903
EOS-2-10826,c1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)o1,NCBZHPJGMYXIME-UHFFFAOYSA-N,2,1,0.444,6,843,456.451,2.729,6,0.365,0.64,1.0,0.3586371736001645,0.3456925502021794,0.08314200534576109,0.07287026249057638,0.21508549790967035
EOS-2-10827,c1cc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)ccc1-c1nn[nH]n1,ASCGEXQLIVTURX-UHFFFAOYSA-N,2,1,0.462,71,117,456.455,1.859,6,0.39,0.68,1.0,0.37006545130559937,0.36971420738811595,0.05785244328695771,0.0609965046946748,0.21465715166883695
EOS-2-10828,c1cnnc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)s2)c1,IZWBPLGNKCVRJC-UHFFFAOYSA-N,2,1,0.452,71,415,456.455,1.859,6,0.39,0.7,1.0,0.3927849359194024,0.39819923240353644,0.022633815365636353,0.025126790487286683,0.20968619354396548
EOS-2-10829,CNCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ccn2)s1,ASRXDZUTHHGCGE-UHFFFAOYSA-N,2,1,0.646,11,159,443.536,3.651,5,0.391,0.71,1.0,0.36308340758001506,0.09564971557809608,0.18962888081694196,0.16178637516277158,0.20253709478445617
EOS-2-10830,Fc1cc(-c2ccsc2)ccc1Oc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,VFLQNTDFMDNTIE-UHFFFAOYSA-N,2,1,0.4,13,870,456.466,4.631,6,0.403,0.7,1.0,0.6722551572887396,0.6331728462751011,0.6067952847645809,0.5994962648207799,0.6279298882873003
EOS-2-10831,CC(C)n1c([N+](=O)[O-])cnc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,IMDJBEQVPMYHMX-UHFFFAOYSA-N,2,1,0.423,89,22,456.466,4.118,5,0.264,0.67,1.0,0.4539613460352272,0.16531594818723871,0.1329843739291344,0.04307449797820574,0.19883404153245152
EOS-2-10832,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)c(F)c2)n1,YPNJPAJDQCGWNH-UHFFFAOYSA-N,2,1,0.355,9,340,456.466,4.474,6,0.382,0.76,1.0,0.24623055308066616,0.35523610444794734,0.4517767802069769,0.4715749434582962,0.3812045952984716
EOS-2-10833,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cncc(-c5cnco5)n4)n23)s1,WBIWIRMKOSTLJL-UHFFFAOYSA-N,2,1,0.329,42,72,456.466,4.474,6,0.382,0.58,0.994,0.2674422589267357,0.41240319374957163,0.26042594750188475,0.3382992940853951,0.3196426735658968
EOS-2-10834,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)s5)n34)cn2)n1,KILIOBPQESCIEE-UHFFFAOYSA-N,2,1,0.302,76,392,456.466,4.474,6,0.382,0.71,1.0,0.34488725926941266,0.40758858200260434,0.3262970324172435,0.35744637105064764,0.359054811184977
EOS-2-10835,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cc2)sc1F,UFYYFVKWYIQMQG-UHFFFAOYSA-N,2,1,0.305,38,787,456.466,4.474,6,0.382,0.58,1.0,0.2779538756767871,0.3457011171269961,0.33394729627852787,0.31625659653210886,0.318464721403605
EOS-2-10836,Cc1nc(-c2ncc(F)cn2)c(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4)n23)o1,DFMCPMGSEVIHPU-UHFFFAOYSA-N,2,1,0.28,42,339,456.466,4.474,6,0.382,0.62,1.0,0.30757830169282435,0.34570968405181274,0.20000342676992666,0.26470940991021863,0.2795002056061956
EOS-2-10837,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)s2)nn1,HPFRTOLGYAKFRM-UHFFFAOYSA-N,2,1,0.347,76,750,456.466,4.474,6,0.382,0.66,1.0,0.28913371256253856,0.3792149270098006,0.2242906586251799,0.3069614831060243,0.29990019532588585
EOS-2-10838,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnsc5-c5ccc(F)cc5)n34)cc2)no1,XNUQQQVFDCWUQS-UHFFFAOYSA-N,2,1,0.39,9,867,456.466,4.474,6,0.382,0.73,1.0,0.23247207182509766,0.4215184017545062,0.2971009526420396,0.3832756493729011,0.3335917688986361
EOS-2-10839,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2OC)cn1,SUYBNEATASNHSN-UHFFFAOYSA-N,2,1,0.523,65,361,456.466,2.677,5,0.344,0.61,1.0,0.6049019943800973,0.28053252004660406,0.28264855047632104,0.13229045301898432,0.32509337948050165
EOS-2-10840,COc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nc2OC)n1,VSDLFNYGBVACEX-UHFFFAOYSA-N,2,1,0.453,49,501,456.466,2.677,5,0.344,0.57,1.0,0.43985162086217533,0.11755534233431568,0.14513227331916936,0.06565691179494208,0.1920490370776506
EOS-2-10841,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)c(-c2ccc(F)cn2)n1,VNSFRSCIBZWSCK-UHFFFAOYSA-N,2,1,0.282,76,653,456.466,4.474,6,0.382,0.57,0.989,0.30517956274415736,0.4789681995750805,0.28979336577342196,0.32535467068741003,0.34982394969501746
EOS-2-10842,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)s2)nn1,QAFCMQHOYUSRMS-UHFFFAOYSA-N,2,1,0.346,76,750,456.466,4.474,6,0.382,0.74,1.0,0.2540778562127339,0.3503358234528134,0.2788020012336372,0.3511496813103968,0.30859134055239534
EOS-2-10843,Cc1ncnc(-c2cccc(F)c2)c1-c1nnc2cncc(-c3ccc(-c4nnco4)s3)n12,MXCCPIBDXHBSED-UHFFFAOYSA-N,2,1,0.333,76,653,456.466,4.474,6,0.382,0.71,0.999,0.23248063874991434,0.4482900418065931,0.2675707627989857,0.34469878692344597,0.32326005756973475
EOS-2-10844,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5F)n34)o2)nn1,SDHIULOZRGAIDX-UHFFFAOYSA-N,2,1,0.313,76,750,456.466,4.474,6,0.382,0.62,1.0,0.2891422794873552,0.4215269686793229,0.31545987252415875,0.34140908779384554,0.34188455212117064
EOS-2-10845,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(OC)n5)n34)cn2)cn1,VXILMAYJFLYJJD-UHFFFAOYSA-N,2,1,0.457,65,657,456.466,2.677,5,0.344,0.7,1.0,0.48287471729148107,0.34051812761291206,0.1767613597423069,0.07678534713179357,0.2692348879446234
EOS-2-10846,Fc1cc(-c2cnns2)ccc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,MTBXWVSEFCMGPX-UHFFFAOYSA-N,2,1,0.433,9,722,456.466,4.631,6,0.403,0.6,1.0,0.5027842505654171,0.6623860598999384,0.6895432115687753,0.6758618326365567,0.6326438386676719
EOS-2-10847,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(OC)n4)n23)n1,IEEPIWBXQBDMLB-UHFFFAOYSA-N,2,1,0.457,49,501,456.466,2.677,5,0.344,0.62,1.0,0.3971369337262696,0.12462305530806661,0.08565211431704475,0.038028579261188404,0.16136017065314237
EOS-2-10848,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)c(F)c5)n34)cc2)s1,WQLKTXKSOSYWSS-UHFFFAOYSA-N,2,1,0.351,9,340,456.466,4.474,6,0.382,0.68,1.0,0.31795284764580906,0.435191213761908,0.41117812350078814,0.43068501130834075,0.3987517990542115
EOS-2-10849,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)s1,KDMFOUZHPYWWBB-UHFFFAOYSA-N,2,1,0.329,32,572,456.466,4.474,6,0.382,0.62,1.0,0.23814337605373176,0.4030052772256871,0.2604345144267014,0.3319426358714276,0.30838145089438695
EOS-2-10850,COc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(OC)nc5)nn4)n23)cn1,ROADYUOYRDTZJQ-UHFFFAOYSA-N,2,1,0.476,49,411,456.466,2.677,5,0.344,0.73,1.0,0.5178277705434857,0.24992289767665,0.20351586594476048,0.08727126310739497,0.2646344493180728
EOS-2-10851,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc([N+](=O)[O-])cc4)n23)ccn1,PBCWNTKMBDFMIP-UHFFFAOYSA-N,2,1,0.607,75,864,456.466,3.599,5,0.256,0.69,1.0,0.512841820300185,0.10506476595161401,0.2459564114865328,0.08542080734699473,0.23732095127133163
EOS-2-10852,Cc1nc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cc2F)no1,YXKXAYUVSQGPFA-UHFFFAOYSA-N,2,1,0.327,38,983,456.466,4.474,6,0.382,0.74,1.0,0.33541224042217804,0.407597148927421,0.30781817558769103,0.3285244328695771,0.3448379994517168
EOS-2-10853,c1ccn2c(-c3ccc(-c4nnc5cncc(-c6ccc(-c7cnco7)cc6)n45)cc3)nnc2c1,PMCXBCRPTDKGJZ-UHFFFAOYSA-N,2,1,0.357,69,958,456.469,4.823,7,0.374,0.68,1.0,0.20786786375162772,0.11166986498526489,0.5650829278322254,0.6056387499143308,0.37256485162086217
EOS-2-10854,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)nc4)n23)s1,FFEIBDWEWUPUSD-UHFFFAOYSA-N,2,1,0.314,96,693,456.47,3.604,6,0.427,0.71,0.783,0.19129943115619216,0.33560071276814474,0.16068124186142144,0.24654752929888288,0.2335322287711603
EOS-2-10855,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)cn2)n1,XJHOZQNMMBTDPK-UHFFFAOYSA-N,2,1,0.333,70,968,456.47,3.306,6,0.397,0.56,1.0,0.22423069015146324,0.32163662531697623,0.16693509697758893,0.22602117743814681,0.2347058974710438
EOS-2-10856,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncs6)nn5)n34)c(F)c2)n[nH]1,GWLNJZBJWZJBTA-UHFFFAOYSA-N,2,1,0.306,10,314,456.47,3.604,6,0.427,0.59,0.686,0.19950654513055993,0.36008498389418137,0.2533496676033171,0.3005020217942567,0.27836080460557877
EOS-2-10857,Cn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3scnc3-c3ccc(F)cc3)n12,LENQZUFYQQBPRD-UHFFFAOYSA-N,2,1,0.338,8,474,456.47,3.306,6,0.397,0.64,0.999,0.14962990884791996,0.29129257761633887,0.05415153176615722,0.1435987937769858,0.15966820300185047
EOS-2-10858,Fc1ccccc1Cn1nnc(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)n1,SDYFXBCWIUWKAD-UHFFFAOYSA-N,2,1,0.346,3,973,456.47,3.151,6,0.389,0.72,1.0,0.14098588170790213,0.3216451922417929,0.1513261599616202,0.2705177849359194,0.22111875471180867
EOS-2-10859,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cn2)nn1,SNDPQZIFUSSVLU-UHFFFAOYSA-N,2,1,0.317,98,727,456.47,3.306,6,0.397,0.7,1.0,0.1217531354944829,0.22441916249742994,0.3190836817216092,0.3609159756013981,0.25654298882873006
EOS-2-10860,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)s5)n34)c(F)c2)n[nH]1,DWTUIXASUDDLJX-UHFFFAOYSA-N,2,1,0.295,94,165,456.47,3.604,6,0.427,0.65,0.996,0.17980261805222397,0.34571825097662945,0.2352563223905147,0.2557998081008841,0.25414424988006307
EOS-2-10861,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ncc(F)cn6)n5)n34)cc2)cs1,IKPSPVXJOPKBHK-UHFFFAOYSA-N,2,1,0.291,98,635,456.47,3.4,6,0.397,0.73,1.0,0.05176992666712357,0.16532451511205537,0.10514186827496402,0.129951682544034,0.11304699814954425
EOS-2-10862,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)c1,BWYQFNZIKHUUQW-UHFFFAOYSA-N,2,1,0.337,25,791,456.47,3.306,6,0.397,0.67,1.0,0.12467445685696663,0.2755722705777534,0.27098896580083615,0.36412857240764857,0.2588410664108012
EOS-2-10863,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)cc1C#N,CKJHHOKTLVQMLF-UHFFFAOYSA-N,2,1,0.319,38,270,456.473,3.582,6,0.394,0.64,1.0,0.10858577205126448,0.14235658967856898,0.3750599684737167,0.38991501610581863,0.25397933657734223
EOS-2-10864,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncc(C#N)c5)cc4)n23)c1,GCMGVECRGKUAMU-UHFFFAOYSA-N,2,1,0.31,25,791,456.473,3.582,6,0.394,0.8,1.0,0.1246830237817833,0.11756390925913235,0.5108028921938181,0.5622472757179083,0.3288242752381605
EOS-2-10865,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)s5)n34)cc2)c1F,JLDHWFZYLSJZNI-UHFFFAOYSA-N,2,1,0.299,69,126,456.477,6.725,6,0.295,0.74,1.0,0.28915084641217187,0.43036803509012406,0.9415221712014256,0.9537386059899938,0.6536949146734288
EOS-2-10866,Cc1csc(-c2csc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)n1,KOVOUDMBIKGBJE-UHFFFAOYSA-N,2,1,0.297,38,865,443.521,4.132,6,0.436,0.6,1.0,0.07164519224179289,0.14986978274278664,0.06991467342882599,0.07873860598999383,0.09254206360084984
EOS-2-10867,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccs6)n5)n34)cc2)s1,VIWBOZPKJLQUJP-UHFFFAOYSA-N,2,1,0.275,98,424,443.521,3.927,6,0.407,0.61,1.0,0.017613597423069016,0.07583441847714345,0.05598485367692413,0.06912651634569256,0.054639846480707285
EOS-2-10868,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccsc6)nn5)n34)nc2)cs1,NBNBOEYQAYXBKT-UHFFFAOYSA-N,2,1,0.248,70,37,443.521,3.927,6,0.407,0.66,1.0,0.002407305873483654,0.011668151600301557,0.11890891645534919,0.12996024946885065,0.06573615584949627
EOS-2-10869,Cn1nc(-c2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)cc1-c1nncs1,BAXPBOJHFXNJNZ-UHFFFAOYSA-N,2,1,0.304,98,63,443.521,3.834,6,0.408,0.55,1.0,0.0470238503186896,0.08621753135494482,0.14514084024398602,0.18596223699540812,0.11608611472825714
EOS-2-10870,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)s2)cs1,VDIXWJWHYGSDKU-UHFFFAOYSA-N,2,1,0.245,76,272,443.521,3.927,6,0.407,0.74,1.0,0.0008909601809334521,0.0008652594064834487,0.09731169899252964,0.1122010143238983,0.05281723322596121
EOS-2-10871,CCOc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)n1,XPLDNZUUXSBAFF-UHFFFAOYSA-N,2,1,0.495,11,275,456.481,4.408,5,0.342,0.79,1.0,0.717711260365979,0.8150315262833253,0.5517784935919402,0.48045027756836406,0.6412428894524022
EOS-2-10872,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)cn2)c1F,XRUUGTCBTSXDJW-UHFFFAOYSA-N,2,1,0.308,3,668,456.481,5.651,6,0.344,0.68,1.0,0.06761017065314234,0.3114762524844082,0.9005208690288534,0.9144164210814886,0.5485059283119731
EOS-2-10873,Fc1cc(-c2nnc3cncc(-c4ccsc4-c4ccccc4)n23)c(F)cc1-c1cc[nH]n1,KTIAAPSFTBCMRJ-UHFFFAOYSA-N,2,1,0.321,30,192,456.481,5.855,6,0.361,0.6,1.0,0.24623912000548284,0.41241176067438834,0.8818535398533343,0.907648550476321,0.6120382427523816
EOS-2-10874,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)cn2)cc1F,PNZXKOMHDKOKAQ-UHFFFAOYSA-N,2,1,0.291,30,668,456.481,5.651,6,0.344,0.77,0.995,0.010914262216434788,0.11460832019738194,0.8698855458844493,0.9008378452470701,0.4740614933863341
EOS-2-10875,COc1nc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)ccc1-c1cccc(F)c1,MZWLEFDCWIUCQU-UHFFFAOYSA-N,2,1,0.443,11,769,456.481,4.326,5,0.36,0.8,0.997,0.6536392296621205,0.5658625179905421,0.48319169350969776,0.40200294702213696,0.5261740970461244
EOS-2-10876,Cc1snnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)s1,VHCXSTAXYNPUKL-UHFFFAOYSA-N,2,1,0.308,38,865,443.517,5.002,6,0.378,0.62,1.0,0.07748783496676033,0.15388767048180385,0.21397608114591185,0.2586011925159345,0.17598819477760264
EOS-2-10877,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)n2)o1,VZTZUHHZSAEZRJ-UHFFFAOYSA-N,2,1,0.263,76,272,443.517,5.002,6,0.378,0.59,1.0,0.12176170241929957,0.10507333287643067,0.13602563223905148,0.172400795010623,0.13381536563635119
EOS-2-10878,Cc1cc(C)nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)cn2)n1,WGWZABDYQIXVJK-UHFFFAOYSA-N,2,1,0.538,65,579,456.485,3.724,5,0.381,0.66,1.0,0.7358988417517648,0.7738931533136865,0.27881056815845384,0.1859708039202248,0.4936433417860325
EOS-2-10879,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccn1,PPDKLDYONFCYEK-UHFFFAOYSA-N,2,1,0.506,75,454,456.485,3.67,5,0.342,0.62,1.0,0.6753649509971901,0.6283153999040504,0.2826571174011377,0.22026420396134602,0.45165041806593104
EOS-2-10880,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCc5ccnc(CF)c5)n34)cn2)nc1C,CDKJUQPPCADKKU-UHFFFAOYSA-N,2,1,0.426,7,567,456.485,4.012,5,0.377,0.72,1.0,0.5619731341237749,0.44829860873140975,0.17986258652594064,0.11908025495168255,0.32730364608320195
EOS-2-10881,CCc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cncc(C)n1,OXCYXWNFEDRQBX-UHFFFAOYSA-N,2,1,0.434,31,690,456.485,3.67,5,0.365,0.57,0.239,0.6133661160989651,0.6096909053526146,0.19301281611952573,0.17240936193543965,0.39711979987663626
EOS-2-10882,Cc1nc(-c2cnn(C)c2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,ZKJGFRAJMORCQD-UHFFFAOYSA-N,2,1,0.362,93,651,443.514,5.229,6,0.373,0.76,1.0,0.09370502364471249,0.07936399150161058,0.6538277020080872,0.632401823041601,0.36482463504900275
EOS-2-10883,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,GTGASFZPXJQCOQ-UHFFFAOYSA-N,2,1,0.362,93,651,443.514,5.229,6,0.373,0.8,1.0,0.09145192241792886,0.0758429854019601,0.6330100747035844,0.6177695154547324,0.3545186244945514
EOS-2-10884,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)n1C,FAKIUXRFUBEOTL-UHFFFAOYSA-N,2,1,0.368,93,651,443.514,5.229,6,0.373,0.86,1.0,0.2132478925364951,0.12092214378726612,0.6035398533342471,0.5905866630114454,0.3820741381673634
EOS-2-10885,Cc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)nc1,COPVLVBJSFKBSA-UHFFFAOYSA-N,2,1,0.342,93,818,443.514,5.229,6,0.373,0.74,1.0,0.11673291755191556,0.07937255842642725,0.6570060311150709,0.617778082379549,0.3677223973682407
EOS-2-10886,Cc1c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c(-c2ccccc2)nn1C,IEQNMOUXAFJOOC-UHFFFAOYSA-N,2,1,0.28,30,737,443.514,5.229,6,0.373,0.61,1.0,0.014915016105818656,0.020192241792886027,0.382530326913851,0.4558460694948941,0.21837091357686245
EOS-2-10887,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)cc5)n34)cc2)n1,KJVLNHVFAZBNMP-UHFFFAOYSA-N,2,1,0.315,69,898,443.514,5.229,6,0.373,0.77,1.0,0.06564834487012541,0.07585155232677677,0.6786974847508739,0.6208364745390994,0.3602584641217189
EOS-2-10888,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,NEFRLICJNUKTCB-UHFFFAOYSA-N,2,1,0.347,93,220,443.514,5.229,6,0.373,0.78,1.0,0.077496401891577,0.057055719279007606,0.6394609690905353,0.6056473168391474,0.3449151017750668
EOS-2-10889,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccn(C)n5)cc4)n23)cn1,GBWDPSWEAJJPEF-UHFFFAOYSA-N,2,1,0.3,69,220,443.514,5.229,6,0.373,0.76,1.0,0.058597765746007814,0.07586011925159344,0.6761531080803235,0.6354602152011514,0.361517802069769
EOS-2-10890,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cc2)n1,PZPUTXNKIOABLG-UHFFFAOYSA-N,2,1,0.333,69,898,443.514,5.229,6,0.373,0.73,1.0,0.152414159413337,0.053260571585223765,0.642459392776369,0.5905952299362621,0.35968233842779795
EOS-2-10891,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)n(C)n1,AHAZKBIORLRKHM-UHFFFAOYSA-N,2,1,0.362,93,651,443.514,5.229,6,0.373,0.83,1.0,0.1139058323624152,0.10508189980124734,0.612466588993215,0.6023747515591803,0.35845726817901447
EOS-2-10892,Cc1nn(C)c(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,MNNJFEGAFOVWDX-UHFFFAOYSA-N,2,1,0.345,93,220,443.514,5.229,6,0.373,0.74,1.0,0.04561887464875608,0.026865876225070248,0.4409567541635255,0.4837142759235145,0.24928894524021655
EOS-2-10893,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)c5)n34)cc2)cc1,URVRELKGRDILPL-UHFFFAOYSA-N,2,1,0.341,93,538,443.514,5.229,6,0.373,0.75,1.0,0.11674148447673223,0.08932732506339525,0.6815160030155575,0.6818672469330409,0.39236301487218145
EOS-2-10894,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)cc1,LDLOVWXTNYTNEI-UHFFFAOYSA-N,2,1,0.584,12,47,443.51,5.828,6,0.325,0.77,1.0,0.7145843328078952,0.49734425330683296,0.8777928174902337,0.8671612637927489,0.7392206668494277
EOS-2-10895,Cn1nc(-c2cccs2)nc1COc1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,DFGIBXHLRJXZCF-UHFFFAOYSA-N,2,1,0.438,40,25,456.491,3.882,6,0.371,0.62,0.995,0.4562744157357275,0.42587039956137346,0.09487012541977932,0.1032571448152971,0.27006802138304437
EOS-2-10896,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)o5)n34)cc2)n[nH]1,RLJWZAYASXKNDN-UHFFFAOYSA-N,2,1,0.448,81,609,456.491,4.18,6,0.396,0.59,0.999,0.439860187786992,0.43944040847097526,0.3409293400041121,0.282417243506271,0.37566179494208757
EOS-2-10897,COCc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(C#N)cs5)n34)cn2)cn1,KFXVIYRLCXTHHZ-UHFFFAOYSA-N,2,1,0.421,7,282,456.491,3.302,5,0.363,0.7,1.0,0.4467993968884929,0.5062538551161675,0.3636573915427318,0.27949592214378727,0.3990516414227949
EOS-2-10898,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cncs5)no4)n23)cc1,FYXOEFRYSDHCHI-UHFFFAOYSA-N,2,1,0.5,40,2,456.491,3.882,6,0.371,0.64,1.0,0.437564251936125,0.2913011445411555,0.2971095195668563,0.24085052429579878,0.3167063600849839
EOS-2-10899,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)s3)n12,GYEMSFBNVINIQZ-UHFFFAOYSA-N,2,1,0.287,70,369,456.491,3.979,6,0.383,0.66,0.749,0.29187512850387226,0.09233431567404564,0.2172400795010623,0.16179494208758824,0.19081111644164211
EOS-2-10900,Cn1nc(-c2nnc3cncc(OCc4ccc(-c5ccsn5)cc4)n23)cc1-c1cnco1,NZYJWORYSQVSES-UHFFFAOYSA-N,2,1,0.438,28,2,456.491,3.882,6,0.371,0.55,0.999,0.2622078678637516,0.08622609827976149,0.26757932972380233,0.24085909122061544,0.21421809677198272
EOS-2-10901,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccs5)no4)n23)cc1,UXFOXPDZKXZZBT-UHFFFAOYSA-N,2,1,0.483,56,8,456.491,3.882,6,0.371,0.69,1.0,0.44926667123569325,0.40301384415050373,0.11609896511548215,0.10739496950174765,0.2689436125008567
EOS-2-10902,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccsc6)n5)n34)cc2)cn1,BZRWCJYLHFZTNK-UHFFFAOYSA-N,2,1,0.427,56,197,456.491,3.882,6,0.371,0.65,1.0,0.44680796381330956,0.36972277431293266,0.22095812487149613,0.19159927352477554,0.3072720341306285
EOS-2-10903,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6ncco6)n5)n34)cs2)n1,CUYOBLKCIKBNMJ-UHFFFAOYSA-N,2,1,0.467,6,297,456.491,3.882,6,0.371,0.62,1.0,0.19385237475155917,0.12093071071208279,0.17987115345075733,0.13229901994380097,0.15673831471455008
EOS-2-10904,Cn1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)s2)n1,MMDZKIVZKUVCOE-UHFFFAOYSA-N,2,1,0.467,81,117,456.491,3.882,6,0.371,0.64,1.0,0.34006408059762866,0.32165375916660954,0.11305770680556508,0.12791275443766706,0.22567207525186758
EOS-2-10905,CCn1cc(-c2nc(-c3nnc4cncc(-c5ccc(-c6nc(C)no6)nc5)n34)cs2)cn1,NUNLOONKTJHUFI-UHFFFAOYSA-N,2,1,0.241,70,652,456.495,3.552,6,0.383,0.65,1.0,0.06396922760605853,0.08623466520457816,0.02666027002947022,0.020166541018436023,0.049257675964635726
EOS-2-10906,Cn1nc(-c2c[nH]nn2)cc1-c1cc(-c2nnc3cncc(OCc4ccsc4)n23)ccn1,PVIMKXOTGPGTCQ-UHFFFAOYSA-N,2,1,0.447,75,99,456.495,3.012,6,0.405,0.55,0.998,0.3179614145706257,0.2141302857926119,0.1669436639024056,0.14121718867795216,0.21006313823589884
EOS-2-10907,CC#Cc1cc(F)c(-c2cncc(-c3nnc4cncc(OCCc5cccs5)n34)c2)cn1,IIBIOTXHVKTXLN-UHFFFAOYSA-N,2,1,0.538,87,307,456.506,4.442,5,0.352,0.69,1.0,0.8209341374820095,0.7608371598930848,0.689551778493592,0.6177866493043657,0.7222774312932629
EOS-2-10908,CNC(=O)c1ccc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)cc1,ABDIVBSFOGYUFK-UHFFFAOYSA-N,2,1,0.537,89,637,443.492,3.248,5,0.429,0.8,1.0,0.584718319512028,0.28595538345555477,0.3487081077376465,0.21746281954629565,0.35921115756288124
EOS-2-10909,c1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1,WDKRDTTXZQPTHE-UHFFFAOYSA-N,2,1,0.524,12,47,456.509,5.494,6,0.33,0.74,1.0,0.7114317044753615,0.5425176478651224,0.7812350078815709,0.7749811527654034,0.7025413782468646
EOS-2-10910,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)cc2)cc1,HLPWSZNVPLHAAP-UHFFFAOYSA-N,2,1,0.566,12,47,456.509,5.494,6,0.33,0.76,1.0,0.4828832842162977,0.48303748886299774,0.6731546843944898,0.6670121993009389,0.576521914193681
EOS-2-10911,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)cc2)cc1,XJFMMTDOXYFAPL-UHFFFAOYSA-N,2,1,0.577,12,47,456.509,5.494,6,0.33,0.73,1.0,0.7209838256459461,0.5658710849153588,0.8408265369063121,0.8294153930505106,0.739274210129532
EOS-2-10912,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)cc1,YJENORCCJPPGLR-UHFFFAOYSA-N,2,1,0.627,12,285,456.509,5.494,6,0.33,0.72,1.0,0.5204064149133028,0.45688266739771094,0.7834966760331711,0.7702522102666027,0.6327594921526969
EOS-2-10913,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cc2)cn1,KIUZQGNZLLHFDP-UHFFFAOYSA-N,2,1,0.326,69,695,456.509,5.591,6,0.336,0.83,1.0,0.3102768830100747,0.2295593173874306,0.769703927078336,0.7207867863751628,0.5075817284627511
EOS-2-10914,COc1nc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)ccc1-c1ccccc1,LGGFHWNHOBOIHO-UHFFFAOYSA-N,2,1,0.321,93,93,456.509,5.591,6,0.336,0.75,0.994,0.31300116510177506,0.19977211979987664,0.633018641628401,0.6151052018367487,0.44022428209170034
EOS-2-10915,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)cc1,WINFKMVGMJXDGA-UHFFFAOYSA-N,2,1,0.59,12,47,456.509,5.494,6,0.33,0.77,1.0,0.4902851072578987,0.4436981701048592,0.7414759098074155,0.7207953532999795,0.5990636351175382
EOS-2-10916,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)c2)cc1,COHRXLXHQQBYHE-UHFFFAOYSA-N,2,1,0.549,21,47,456.509,5.494,6,0.33,0.72,1.0,0.7145928997327119,0.5860890274826948,0.8006562264409568,0.7911726406689055,0.7231276985813172
EOS-2-10917,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cc2)c1,BTAYIYLAKPZGQM-UHFFFAOYSA-N,2,1,0.597,12,492,456.509,5.494,6,0.33,0.79,1.0,0.7359074086765814,0.5566273730381742,0.8489822493317799,0.8253375368377767,0.741713641971078
EOS-2-10918,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccnnc6)c5)n34)cc2)cc1,YHXHQHXGNJDYQW-UHFFFAOYSA-N,2,1,0.584,12,47,456.509,5.494,6,0.33,0.69,1.0,0.6660955383455555,0.5860975944075115,0.8440991021862793,0.8335103831128778,0.732450654513056
EOS-2-10919,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cc1,CPZITMWTPQPYPC-UHFFFAOYSA-N,2,1,0.59,12,427,456.509,5.494,6,0.33,0.81,1.0,0.7022736618463437,0.4655866630114454,0.7414844767322322,0.712836680145295,0.655545370433829
EOS-2-10920,Cc1ccnc(Oc2ccccc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,HIQQIAACTGZEQM-UHFFFAOYSA-N,2,1,0.326,21,810,456.509,6.016,6,0.316,0.84,1.0,0.32791618120759375,0.14987834966760333,0.6923788636830923,0.6554639846480708,0.45640934480159
EOS-2-10921,c1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1,LMVMYBJXDHTMDM-UHFFFAOYSA-N,2,1,0.494,12,47,456.509,5.494,6,0.33,0.73,1.0,0.48781783291069836,0.35524467137276405,0.7536066753478171,0.7601518059077513,0.5892052463847577
EOS-2-10922,COc1cccnc1-c1ccc(-c2cncc3nnc(-c4cccc(-c5ccccc5)c4)n23)nc1,ZYKSLBGTTBQUAZ-UHFFFAOYSA-N,2,1,0.358,93,651,456.509,5.591,6,0.336,0.8,1.0,0.26745082585155233,0.12816119525735042,0.7102923034747447,0.6818758138578576,0.44694503461037627
EOS-2-10923,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)nc1,UTFYDLCRGPKDHW-UHFFFAOYSA-N,2,1,0.603,12,427,456.509,5.494,6,0.33,0.82,1.0,0.7022822287711603,0.5288705366321705,0.7766174354053869,0.7395140840243986,0.686821071208279
EOS-2-10924,c1ccc(COc2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c2)cc1,WLJNAAMTTIIRDV-UHFFFAOYSA-N,2,1,0.427,12,220,456.509,5.494,6,0.33,0.84,1.0,0.36548214652868205,0.27039784798848604,0.7720940991021863,0.7369183058049482,0.5362230998560756
EOS-2-10925,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cc2)nc1,BPZGSDDJJCFCJV-UHFFFAOYSA-N,2,1,0.557,12,427,456.509,5.494,6,0.33,0.8,1.0,0.6661041052703721,0.5380114454115551,0.8253632376122267,0.7936227811664724,0.7057753923651566
EOS-2-10926,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccccc6)ncn5)n34)cc2)cc1,JXNGTULLVKBTAX-UHFFFAOYSA-N,2,1,0.506,21,47,456.509,5.494,6,0.33,0.73,1.0,0.5438455212117058,0.5243557672537866,0.7235110684668631,0.7259355081899801,0.6294119662805839
EOS-2-10927,COc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnn(CCN)c5)cc4)n23)ccn1,HXBYNSRPSHHFQD-UHFFFAOYSA-N,2,1,0.522,15,519,456.51,2.639,5,0.36,0.66,1.0,0.4214755671304229,0.14596326502638612,0.24246110616133232,0.1436073607018025,0.23837682475498595
EOS-2-10928,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5F)n34)s2)n[nH]1,NXEXCDGCHOUOLG-UHFFFAOYSA-N,2,1,0.306,76,865,456.51,4.758,6,0.413,0.59,0.787,0.19675656226440957,0.3744945514358166,0.4867126996093482,0.4684908505242958,0.3816136659584675
EOS-2-10929,COc1nc(-c2nnc3cncc(OCCc4c(C)cccc4C)n23)ccc1-c1ncnn1C,SAGKLKMKNAJAPP-UHFFFAOYSA-N,2,1,0.452,49,456,456.51,3.229,5,0.368,0.65,0.849,0.32031731889520937,0.08277362757864437,0.10762627647179768,0.0510160372832568,0.14043331505722703
EOS-2-10930,COc1cc(-c2nnc3cncc(OCc4cncc(N(C)C)c4)n23)ccc1-c1cnn(C)c1,MPEXBIIVCSSQIC-UHFFFAOYSA-N,2,1,0.483,16,591,456.51,3.24,5,0.368,0.6,1.0,0.2836166129806045,0.14236515660338564,0.5108114591186348,0.1942978548420259,0.2827727708861627
EOS-2-10931,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(C)n6)cc5)n34)nc2)nn1,MIZCAMSJAJZRIG-UHFFFAOYSA-N,2,1,0.303,38,532,456.513,4.989,6,0.369,0.73,1.0,0.0819426358714276,0.10848296895346446,0.5074360907408677,0.4465166883695429,0.28609459598382564
EOS-2-10932,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)nc6)cc5)n34)cc2)cn1,WZWYJXUWOYIKHU-UHFFFAOYSA-N,2,1,0.319,69,645,456.513,4.989,6,0.369,0.73,1.0,0.1660869714207388,0.13492049893770133,0.6035484202590639,0.5224710437941197,0.35675673360290594
EOS-2-10933,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)cn6)cc5)n34)cc2)cn1,LPGRTEQONMJCGM-UHFFFAOYSA-N,2,1,0.361,69,645,456.513,4.989,6,0.369,0.73,1.0,0.16038139949283806,0.14237372352820232,0.565091494757042,0.489659721746282,0.33937658488109107
EOS-2-10934,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccc(C)nn6)c5)n34)cc2)cn1,BOLFRPKVNCZMSX-UHFFFAOYSA-N,2,1,0.315,9,598,456.513,4.989,6,0.369,0.71,1.0,0.1192258926735659,0.11461688712219861,0.5415667192104722,0.48372284284833117,0.314783085463642
EOS-2-10935,Cc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cn(C)nc5C)c4)n23)ccn1,AGQVSKPUWOKNJC-UHFFFAOYSA-N,2,1,0.583,15,545,443.486,3.964,5,0.395,0.65,1.0,0.5904667260640121,0.5755003084092934,0.5750376944691933,0.4495236789801933,0.547632101980673
EOS-2-10936,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(C)c4)n23)c(F)c1,SOAJCWNUQVSQHT-UHFFFAOYSA-N,2,1,0.527,26,448,443.486,4.139,5,0.376,0.72,1.0,0.6505465698033034,0.5658796518401754,0.5683126584881091,0.462296963881845,0.5617589610033582
EOS-2-10937,CCCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)cn1,NTTYGMFQMVPPAK-UHFFFAOYSA-N,2,1,0.575,35,545,443.486,4.22,5,0.357,0.67,1.0,0.5564217668425742,0.5151720238503187,0.4832002604345144,0.44652525529435955,0.5003298266054418
EOS-2-10938,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5C)n34)ccc2F)cn1,OAZLFTHPFZZRFE-UHFFFAOYSA-N,2,1,0.534,35,545,443.486,4.139,5,0.376,0.62,1.0,0.5309180316633542,0.5062624220409842,0.57504626139401,0.4837314097731478,0.5239895312178741
EOS-2-10939,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)cc1F,AFNOAJJUCBYANB-UHFFFAOYSA-N,2,1,0.484,26,563,443.486,4.139,5,0.376,0.67,1.0,0.705511959427044,0.542526214789939,0.4759012404907135,0.38992358303063535,0.528465749434583
EOS-2-10940,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(C)n5)n34)ccc2F)cn1,KSLUFAQGOPZOBV-UHFFFAOYSA-N,2,1,0.489,15,545,443.486,4.139,5,0.376,0.64,1.0,0.5515043519978069,0.5333681721609211,0.46946747995339594,0.392767802069769,0.4867769515454733
EOS-2-10941,CCn1cc(-c2ccc(-c3nnc4cncc(OCCCc5cccc(F)c5)n34)cn2)cn1,RMHPZUIGFYOGRA-UHFFFAOYSA-N,2,1,0.5,84,73,443.486,4.22,5,0.334,0.8,1.0,0.4562829826605442,0.4568912343225276,0.414947570420122,0.4020115139469536,0.4325333253375368
EOS-2-10942,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)cc4C)n23)ccn1,KHSHZLARJDIQHE-UHFFFAOYSA-N,2,1,0.527,26,864,443.486,4.139,5,0.376,0.64,1.0,0.5464155986567062,0.4030224110753204,0.5382684531560551,0.4528219450346104,0.485132101980673
EOS-2-10943,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)cnc1-c1ccccc1,AXTKVWAZTQJMDD-UHFFFAOYSA-N,2,1,0.362,21,810,443.485,6.326,6,0.32,0.76,1.0,0.320325885820026,0.46559522993626207,0.8947381947776026,0.92497943938044,0.6514096874785826
EOS-2-10944,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cn5)n34)cc2)cc1,SDOQVRPEKSCBTB-UHFFFAOYSA-N,2,1,0.426,21,452,443.485,6.326,6,0.32,0.88,1.0,0.3862569392091015,0.547426495785073,0.929314303337674,0.9470992392570763,0.7025242443972313
EOS-2-10945,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)ccc1-c1ccccn1,LOPPBRWJHZJYTP-UHFFFAOYSA-N,2,1,0.368,21,810,443.485,6.326,6,0.32,0.81,1.0,0.36309197450483177,0.510365979028168,0.9249451716811733,0.9407083133438421,0.6847778596395038
EOS-2-10946,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)ccc1-c1cccnc1,PGDCBUANTTZJLP-UHFFFAOYSA-N,2,1,0.397,21,810,443.485,6.326,6,0.32,0.81,1.0,0.3538910972517305,0.48767219518881505,0.9401514632307587,0.9537471729148105,0.6838654821465286
EOS-2-10947,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)ccn1,HLUVDPLDDASLLQ-UHFFFAOYSA-N,2,1,0.424,21,810,443.485,6.326,6,0.299,0.83,1.0,0.3815451305599342,0.4876807621136317,0.9408625179905421,0.951879583304777,0.6904919984922212
EOS-2-10948,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)c1,OGLRDTQNPGBGKJ-UHFFFAOYSA-N,2,1,0.423,21,452,443.485,6.326,6,0.32,0.86,1.0,0.34007264752244537,0.5103745459529847,0.92495373860599,0.9454886573915428,0.6802223973682406
EOS-2-10949,Fc1ccnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)c1,GQHPCLVFRZACQT-UHFFFAOYSA-N,2,1,0.375,21,810,443.485,6.326,6,0.32,0.88,1.0,0.3677438146802824,0.4656037968610787,0.9258275649372901,0.9438266739771092,0.6757504626139401
EOS-2-10950,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cn1,MYUMBONETZBOJH-UHFFFAOYSA-N,2,1,0.431,21,810,443.485,6.326,6,0.299,0.83,1.0,0.3654907134534987,0.47440202864779657,0.9408710849153588,0.9504574737852101,0.682805325200466
EOS-2-10951,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)c1,QVHXWFRLKMVDTM-UHFFFAOYSA-N,2,1,0.405,21,810,443.485,6.326,6,0.32,0.89,1.0,0.3279247481324104,0.5103831128778014,0.9267270920430403,0.9431241861421424,0.6770397847988485
EOS-2-10952,Fc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)nc1,QAGJJQIOHAKLMA-UHFFFAOYSA-N,2,1,0.38,21,810,443.485,6.326,6,0.32,0.86,1.0,0.39279350284421904,0.4789767664998972,0.9232574874922898,0.9398259200877254,0.6837134192310329
EOS-2-10953,Fc1ccccc1-c1ncccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,BQWMGRXHNVDQJB-UHFFFAOYSA-N,2,1,0.384,21,810,443.485,6.326,6,0.32,0.72,1.0,0.33293639915016104,0.48768932903844836,0.9038791035569872,0.9303594681653073,0.663716074977726
EOS-2-10954,Fc1ncccc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,PRJKMWNKVSSXSZ-UHFFFAOYSA-N,2,1,0.4,21,810,443.485,6.326,6,0.299,0.85,1.0,0.36775238160509904,0.4830460557878144,0.9323898293468577,0.9438352409019258,0.6817558769104243
EOS-2-10955,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cn1,KRBUIMWVGUFONI-UHFFFAOYSA-N,2,1,0.431,21,810,443.485,6.326,6,0.299,0.83,1.0,0.3654992803783154,0.4744105955726133,0.9408796518401754,0.9504660407100267,0.6828138921252827
EOS-2-10956,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)cc1,KXDKTQZRJLUWNT-UHFFFAOYSA-N,2,1,0.426,21,452,443.485,6.326,6,0.32,0.88,1.0,0.3862655061339182,0.5474350627098896,0.9293228702624906,0.9471078061818929,0.7025328113220479
EOS-2-10957,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)cc1,FFSMAHOSVUGSJB-UHFFFAOYSA-N,2,1,0.375,21,810,443.485,6.326,6,0.32,0.79,1.0,0.32033445274484273,0.46145740524981155,0.9038876704818039,0.9337348365430745,0.6548535912548832
EOS-2-10958,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)c1,HKMNLDCWJJTKBQ-UHFFFAOYSA-N,2,1,0.397,21,810,443.485,6.326,6,0.32,0.8,1.0,0.3770560619560003,0.4701014323898293,0.9394404084709752,0.9529932835309437,0.6848977965869372
EOS-2-10959,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)cc2)c1,JJOVEXRGERDJTD-UHFFFAOYSA-N,2,1,0.411,21,695,443.485,6.326,6,0.32,0.82,1.0,0.3354208073469947,0.5151805907751353,0.9323983962716743,0.9463196490987595,0.682329860873141
EOS-2-10960,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)cn2)s1,MJZFYEANROYICK-UHFFFAOYSA-N,2,1,0.312,70,14,456.52,3.594,6,0.392,0.66,1.0,0.03678637516277157,0.117572476183949,0.05970289904735796,0.07489205674730999,0.07223845178534713
EOS-2-10961,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cncnc6)c5)n34)cc2)n1,UFRSJWSIRYIZJZ-UHFFFAOYSA-N,2,1,0.301,42,171,443.474,4.076,6,0.401,0.68,1.0,0.1465286820642862,0.09864813926392982,0.5002484408196833,0.45283051195942703,0.2995639435268316
EOS-2-10962,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)nn1,BHLMIEOHRCEISC-UHFFFAOYSA-N,2,1,0.315,30,945,443.474,4.076,6,0.401,0.78,1.0,0.11093310945103146,0.10509046672606401,0.3226817901446097,0.34799705297786304,0.22167560482489207
EOS-2-10963,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)n1,LKCSADVXZWWQMK-UHFFFAOYSA-N,2,1,0.311,42,327,443.474,4.076,6,0.401,0.68,1.0,0.1632170516071551,0.12093927763689946,0.4334949626482078,0.39898738948666984,0.27915967034473305
EOS-2-10964,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)nn1,PATJLFBZQAMFGP-UHFFFAOYSA-N,2,1,0.289,38,170,443.474,4.076,6,0.401,0.74,1.0,0.09622369954081283,0.10180933452128024,0.4867212665341649,0.44953224590500995,0.283571636625317
EOS-2-10965,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccncn6)nc5)n34)cc2)n1,LBSCVQBKNZIPBK-UHFFFAOYSA-N,2,1,0.309,42,532,443.474,4.076,6,0.401,0.71,1.0,0.19951511205537661,0.12094784456171613,0.3935388253032691,0.3609245425262148,0.2687315811116442
EOS-2-10966,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nn1,XDXJMDWEASYONN-UHFFFAOYSA-N,2,1,0.31,42,171,443.474,4.076,6,0.401,0.69,0.999,0.1167500514015489,0.11462545404701528,0.462219861558495,0.4465338222191762,0.2850322973065588
EOS-2-10967,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(C#N)c6)c5)n34)cc2)cn1,RRMXYKCISOSJEJ-UHFFFAOYSA-N,2,1,0.333,3,150,443.474,3.916,6,0.409,0.77,1.0,0.04130114454115551,0.12816976218216708,0.7388372969638819,0.7042269207045438,0.40313378109793707
EOS-2-10968,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccnc6)ncn5)n34)cc2)cn1,JGIVVKPWCHUHTD-UHFFFAOYSA-N,2,1,0.301,38,983,443.474,4.076,6,0.401,0.69,1.0,0.09371359056952916,0.09234288259886231,0.44096532108834213,0.39899595641148655,0.256504437667055
EOS-2-10969,Cc1cnnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,AZMCPJZMHGDUKL-UHFFFAOYSA-N,2,1,0.342,93,774,443.474,4.076,6,0.401,0.74,0.962,0.17126996093482283,0.1459718319512028,0.3044171064354739,0.3927763689945857,0.2536088170790213
EOS-2-10970,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ncccn6)c5)n34)cc2)n1,OTBRPOLLSZSJNB-UHFFFAOYSA-N,2,1,0.292,38,532,443.474,4.076,6,0.401,0.65,1.0,0.11094167637584812,0.08933589198821192,0.3636659584675485,0.35115824823521347,0.2287754437667055
EOS-2-10971,Cc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)nn1,HSQHQLUSTDGPJX-UHFFFAOYSA-N,2,1,0.322,38,787,443.474,4.076,6,0.401,0.76,1.0,0.09146048934274553,0.11167843191008156,0.33722842848331164,0.3447073538482626,0.22126867589610033
EOS-2-10972,Cc1cnc(-c2cncc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)c2)cn1,VSWPDBWRVQHZJI-UHFFFAOYSA-N,2,1,0.304,94,515,443.474,4.076,6,0.401,0.69,0.75,0.11095024330066479,0.06857823315742581,0.3711877184565828,0.3801658556644507,0.23272051264478105
EOS-2-10973,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nc5)n34)cc2)nn1,WWMXVYLYFHZOJS-UHFFFAOYSA-N,2,1,0.315,38,57,443.474,4.076,6,0.401,0.67,1.0,0.1331642793502844,0.11168699883489823,0.42962271263107393,0.3927849359194024,0.26681473168391473
EOS-2-10974,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nc2)cn1,FQNFUKBXHUTQOB-UHFFFAOYSA-N,2,1,0.315,42,170,443.474,4.076,6,0.401,0.8,1.0,0.11391439928723185,0.11758104310876567,0.5382770200808717,0.4804588444931807,0.3125578267425125
EOS-2-10975,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)cn1,VBQGNOSLJKPMTD-UHFFFAOYSA-N,2,1,0.305,42,171,443.474,4.076,6,0.401,0.73,1.0,0.1331728462751011,0.12817832910698376,0.5212374066205195,0.47755465698033034,0.3150358097457337
EOS-2-10976,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)cn5)n34)cc2)n1,NODYABXTYVEFLL-UHFFFAOYSA-N,2,1,0.293,38,787,443.474,4.076,6,0.401,0.72,1.0,0.11675861832636557,0.10181790144609691,0.4225721335069563,0.3990045233363032,0.26003829415393054
EOS-2-10977,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)nc5)n34)cc2)n1,GNPKRDBNJXXABX-UHFFFAOYSA-N,2,1,0.308,42,762,443.474,4.076,6,0.401,0.72,1.0,0.14963847577273662,0.1116955657597149,0.36367452539236517,0.33195120279624424,0.23923994243026522
EOS-2-10978,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cc2)n1,FWVZOHYIPKYBRX-UHFFFAOYSA-N,2,1,0.315,38,170,443.474,4.076,6,0.401,0.66,1.0,0.08885614419847851,0.09565828250291275,0.42258070043177304,0.3957490919059694,0.2507110547597834
EOS-2-10979,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)nn1,SNVDCELJANFCGN-UHFFFAOYSA-N,2,1,0.316,38,57,443.474,4.076,6,0.401,0.76,1.0,0.08886471112329518,0.11463402097183195,0.3598279761496813,0.3641371393324652,0.2318659618943184
EOS-2-10980,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)cn1,QMDMPHJAZJPZQD-UHFFFAOYSA-N,2,1,0.306,9,98,443.474,4.076,6,0.401,0.77,1.0,0.15774278664930436,0.10509903365088068,0.5145637721883353,0.48046741141799737,0.31446825097662945
EOS-2-10981,Cc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cn1,MCEFEJQIOXGWDI-UHFFFAOYSA-N,2,1,0.301,42,171,443.474,4.076,6,0.401,0.72,1.0,0.10609279692961414,0.12463162223288328,0.5182047152354191,0.4745562332944966,0.3058713419231033
EOS-2-10982,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cc2)cn1,YXGDXRAYMPCBKC-UHFFFAOYSA-N,2,1,0.292,38,57,443.474,4.076,6,0.401,0.73,1.0,0.12177026934411624,0.09566684942772942,0.5313549448290041,0.49265814543211567,0.3103625522582414
EOS-2-10983,N=c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c[nH]1,HQJRKHNXEXLVNP-UHFFFAOYSA-N,2,1,0.299,30,20,443.474,3.785,6,0.428,0.72,1.0,0.12753580974573367,0.11170413268453155,0.5002570077445,0.477563223905147,0.3042650435199781
EOS-2-10984,Cc1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cc2)n1,NVCXFAUZHWIAME-UHFFFAOYSA-N,2,1,0.333,9,50,443.474,4.076,6,0.401,0.69,1.0,0.16322561853197176,0.12818689603180042,0.41864848194092247,0.40836817216092114,0.27960729216640395
EOS-2-10985,Cc1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)n1,RCUHEQXPYOXWKV-UHFFFAOYSA-N,2,1,0.303,30,945,443.474,4.076,6,0.401,0.75,0.949,0.11095881022548146,0.10849153587828113,0.2898019326982386,0.32536323761222674,0.20865387910355698
EOS-2-10986,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)n1,SIQLUMGUFRVJFA-UHFFFAOYSA-N,2,1,0.301,9,98,443.474,4.076,6,0.401,0.72,1.0,0.155044205332054,0.09567541635254609,0.5074446576656844,0.4837399766979645,0.31047606401206224
EOS-2-10987,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)cn1,ZLFUDUBMKWOZJN-UHFFFAOYSA-N,2,1,0.315,9,98,443.474,4.076,6,0.401,0.78,1.0,0.17981118497704063,0.10510760057569735,0.5552309642930574,0.5127047495031184,0.33821362483722844
EOS-2-10988,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)nn1,RQQXZSVHWDICCF-UHFFFAOYSA-N,2,1,0.345,38,57,443.474,4.076,6,0.401,0.76,1.0,0.10363408950723048,0.1281954629566171,0.3078267425125077,0.3253718045370434,0.21625702487834966
EOS-2-10989,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)nn1,GPQCXRAQABJQPS-UHFFFAOYSA-N,2,1,0.293,38,608,443.474,4.076,6,0.401,0.69,1.0,0.10364265643204715,0.11464258789664862,0.35983654307449797,0.3285329997943938,0.2266636967993969
EOS-2-10990,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)ccn2)nn1,QYDQKUGFRMNNJE-UHFFFAOYSA-N,2,1,0.293,30,301,443.474,4.076,6,0.401,0.7,1.0,0.07750496881639367,0.06086800082242478,0.2709975327256528,0.32226201082859296,0.18290812829826605
EOS-2-10991,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cc2)nn1,QXAATMFAVFHANB-UHFFFAOYSA-N,2,1,0.303,9,171,443.474,4.076,6,0.401,0.64,1.0,0.13045713110821738,0.11465115482146529,0.4409738880131588,0.43989445548625866,0.281494157357275
EOS-2-10992,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(OC)n4)n23)c1,HNINOYVWTMXMFJ-UHFFFAOYSA-N,2,1,0.366,31,211,443.471,2.49,5,0.356,0.65,1.0,0.1798197519018573,0.016876841888835585,0.07855870056884381,0.03937358645740525,0.07865722020423549
EOS-2-10993,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cc(CO)n(C)n5)nc4)n23)cn1,CMSIEUHOUPZORC-UHFFFAOYSA-N,2,1,0.454,31,579,443.471,1.799,5,0.4,0.59,1.0,0.337785278596395,0.25503735179220066,0.07421526968679323,0.04064149133027208,0.17691984785141526
EOS-2-10994,CCOc1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)nn4CC)n23)cn1,NAQUTNKQDLSHDH-UHFFFAOYSA-N,2,1,0.396,92,986,443.471,2.837,5,0.357,0.72,1.0,0.15775135357412104,0.134929065862518,0.013749914330751834,0.007444657665684326,0.0784687478582688
EOS-2-10995,COc1nc(-c2nnc3cncc(OCc4cnccn4)n23)ccc1-c1ccnn1C(C)C,YBZDJYBMSNZKSI-UHFFFAOYSA-N,2,1,0.375,7,456,443.471,3.008,5,0.374,0.59,0.773,0.1603899664176547,0.06497155780960866,0.09487869234459598,0.02795387567678706,0.0870485230621616
EOS-2-10996,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6n[nH]cc6F)s5)n34)nc2)cn1,DYFJUKLNNSJHRK-UHFFFAOYSA-N,2,1,0.253,76,272,443.471,3.845,6,0.444,0.62,1.0,0.08637173600164486,0.23430539373586456,0.3825388938386677,0.3957576588307861,0.2747434206017408
EOS-2-10997,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nn2)cc1,NKIZZVWYMRYUKJ-UHFFFAOYSA-N,2,1,0.4,12,285,443.47,5.103,6,0.366,0.76,1.0,0.587476869302995,0.45689980124734425,0.6424679597011856,0.6413028579261189,0.5820368720444109
EOS-2-10998,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nc2)cc1,XBCVNBDEVFHRJA-UHFFFAOYSA-N,2,1,0.383,41,987,443.47,5.103,6,0.366,0.84,1.0,0.5287077650606539,0.3982077993283531,0.6538362689329038,0.629232060859434,0.5524959735453362
EOS-2-10999,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cc1,FRRFUOGTPIGMQC-UHFFFAOYSA-N,2,1,0.271,69,645,443.47,4.683,6,0.422,0.69,1.0,0.18842094441779178,0.14988691659241998,0.755748406551984,0.742135563018299,0.45904795764512374
EOS-2-11000,c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccccn6)cn5)n34)nc2)cc1,FQUSREWIGDRHBD-UHFFFAOYSA-N,2,1,0.414,30,737,443.47,5.103,6,0.366,0.78,1.0,0.43986875471180864,0.3307775340963608,0.5874940031526283,0.5781817558769105,0.4840805119594271
EOS-2-11001,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)cc1,RTZAEHLEEXONNU-UHFFFAOYSA-N,2,1,0.463,12,323,443.47,5.103,6,0.366,0.8,1.0,0.5990679185799466,0.4258789664861901,0.6625402645466384,0.6470169967788363,0.5836260365979028
EOS-2-11002,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cc2)cc1,FNHXZYLCLKBDSB-UHFFFAOYSA-N,2,1,0.297,69,645,443.47,4.683,6,0.422,0.67,1.0,0.1827239394147077,0.19519738194777603,0.7674765266260023,0.7472928517579329,0.47317267493660475
EOS-2-11003,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)cc1,SYUYYNBEKDQGLX-UHFFFAOYSA-N,2,1,0.481,69,220,443.47,5.103,6,0.366,0.83,1.0,0.5990764855047632,0.44830717565622646,0.6731632513193064,0.6440699746419025,0.5911542217805497
EOS-2-11004,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cn2)cc1,SKNWYTKHXYLUJA-UHFFFAOYSA-N,2,1,0.262,69,696,443.47,4.683,6,0.422,0.64,1.0,0.17982831882667397,0.13493763278733467,0.7440288534027826,0.7369268727297649,0.448930419436639
EOS-2-11005,Fc1cc(-c2ccns2)ccc1-c1nnc2cncc(-c3csc(-c4ccccc4)n3)n12,AMUOOBHNEWPQEO-UHFFFAOYSA-N,2,1,0.368,30,93,456.531,5.844,6,0.333,0.64,1.0,0.19676512918922623,0.4076057158522377,0.6244688506613666,0.6934411623603591,0.48057021451579746
EOS-2-11006,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)sc1-c1cccs1,UURBWVQUWVRCPH-UHFFFAOYSA-N,2,1,0.352,32,368,456.531,5.844,6,0.333,0.74,1.0,0.21877355904324583,0.3552532382975807,0.5415752861352888,0.612029675827565,0.4319079398259201
EOS-2-11007,Fc1cncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccs6)s5)n34)c2)c1,VNXQZJSEZSEYND-UHFFFAOYSA-N,2,1,0.276,70,392,456.531,5.844,6,0.333,0.65,0.997,0.2187821259680625,0.3012302104036735,0.7002690014392434,0.760160372832568,0.49511042766088686
EOS-2-11008,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)cc1,ROYZFOBTKSDQSD-UHFFFAOYSA-N,2,1,0.351,32,20,456.531,5.844,6,0.333,0.6,1.0,0.22710917688986362,0.4394489753957919,0.6361712699609349,0.7070454389692276,0.5024437153039545
EOS-2-11009,Fc1ccsc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)s1,MNNBGRYOBRWHFQ-UHFFFAOYSA-N,2,1,0.347,38,983,456.531,5.844,6,0.333,0.71,1.0,0.2918836954286889,0.47010999931464603,0.6839661435131246,0.7154667260640121,0.5403566410801179
EOS-2-11010,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)s5)n34)cn2)cc1,KIYQVYVNHGWJHN-UHFFFAOYSA-N,2,1,0.375,32,126,456.531,5.844,6,0.333,0.78,1.0,0.12754437667055035,0.44370673702967584,0.6215475292988829,0.6876070865602083,0.4701014323898294
EOS-2-11011,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccsc6)cs5)n34)nc2)cc1,CUVQXBAIYZPEEA-UHFFFAOYSA-N,2,1,0.325,32,20,456.531,5.844,6,0.333,0.77,0.999,0.17398567610170654,0.35526180522239736,0.6185234048385991,0.7042354876293606,0.46300159344801595
EOS-2-11012,COc1cc(-c2nnc3cncc(OCc4cccnc4OC)n23)ccc1-c1ccnn1C,IQJUVYMGLPCAKT-UHFFFAOYSA-N,2,1,0.456,89,591,443.467,3.183,5,0.378,0.71,1.0,0.2863066273730382,0.08278219450346104,0.38254746076348434,0.16685799465423892,0.22962356932355563
EOS-2-11013,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)ccc1F,ZJVAPTKYMIXISB-UHFFFAOYSA-N,2,1,0.646,91,889,443.467,3.942,5,0.392,0.66,1.0,0.9680882050579124,0.9719604550750462,0.7557569734768008,0.7181139058323625,0.8534798848605305
EOS-2-11014,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccco5)s4)n23)c(F)c1,KRGFKWDXTHTHHC-UHFFFAOYSA-N,2,1,0.317,42,693,443.467,4.714,6,0.392,0.6,1.0,0.267459392776369,0.3697313412377493,0.44809300253580975,0.4591186347748612,0.38610059283119735
EOS-2-11015,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4conc4-c4ccc(F)cc4)n23)s1,COVRZNZBIDDLGC-UHFFFAOYSA-N,2,1,0.342,32,750,443.467,4.714,6,0.392,0.69,0.992,0.19386094167637585,0.2913097114659722,0.41495613734493864,0.4837485436227812,0.34596883352751695
EOS-2-11016,COc1cccc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)c(OC)c4)n23)n1,MJKDXZRSOWDOHA-UHFFFAOYSA-N,2,1,0.5,15,83,443.467,3.183,5,0.378,0.64,1.0,0.307586868617641,0.18204715235419094,0.44098245493797544,0.20586320334452746,0.28411991981358375
EOS-2-11017,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)s2)cc1,BKAJQXDDTXCNCJ-UHFFFAOYSA-N,2,1,0.4,30,93,456.534,6.12,6,0.319,0.77,1.0,0.1603985333424714,0.3356092796929614,0.8408351038311288,0.8639658008361318,0.5502021794256734
EOS-2-11018,N#Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)s2)c1,LKKYGQPQJZSZAF-UHFFFAOYSA-N,2,1,0.338,30,93,456.534,6.12,6,0.319,0.73,1.0,0.1438986361455692,0.3012387773284902,0.8327479268041944,0.8572750325543143,0.533790093208142
EOS-2-11019,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cscn5)s4)n23)nc1,AUUDOYKRJLWECJ-UHFFFAOYSA-N,2,1,0.466,46,128,443.464,4.283,5,0.387,0.62,0.998,0.4492752381605099,0.5243643341786033,0.47590980741553013,0.44654238914399286,0.474022942224659
EOS-2-11020,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnns5)s4)n23)cc1,ZTEZEIHZTOLKHN-UHFFFAOYSA-N,2,1,0.542,27,51,443.464,4.283,5,0.387,0.61,1.0,0.48782639983551507,0.5288791035569872,0.5615876225070249,0.5558135151805907,0.5335266602700295
EOS-2-11021,OC1CCCCC1Oc1nocc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,AGAMTQNNOYVXSP-UHFFFAOYSA-N,2,1,0.305,52,376,443.463,4.389,6,0.426,0.48,1.0,0.18273250633952437,0.11758961003358234,0.26758789664861904,0.40202008087177027,0.242482523473374
EOS-2-11022,Cc1ccc(-c2nnc3cncc(OCCc4cnc(-c5cccc(F)c5)c(F)c4)n23)cc1,GIPWGCJIZWCFBY-UHFFFAOYSA-N,2,1,0.627,91,660,443.457,5.061,5,0.367,0.79,1.0,0.9758841066410802,0.9706411486532794,0.8753426769926667,0.8687547118086492,0.9226556610239189
EOS-2-11023,Cn1nnc(-c2csc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)n1,ZYRRRWIBFVVAJM-UHFFFAOYSA-N,2,1,0.378,56,789,443.456,2.621,6,0.426,0.56,1.0,0.3815536974847509,0.3356178466177781,0.06562264409567542,0.05641319991775752,0.2098018470289905
EOS-2-11024,c1nc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccsc6)n5)n34)cc2)n[nH]1,QNUSMOVILZKCGC-UHFFFAOYSA-N,2,1,0.418,56,425,443.452,3.267,6,0.412,0.61,1.0,0.5233705708998698,0.40761428277705436,0.10763484339661435,0.10326571174011377,0.2854713522034131
EOS-2-11025,c1csc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)no2)c1,APLBBZORCFMWPL-UHFFFAOYSA-N,2,1,0.409,56,425,443.452,3.267,6,0.412,0.67,1.0,0.5079158385306011,0.4351997806867247,0.08315057227057775,0.0820197381947776,0.27707148242067026
EOS-2-11026,Cn1nc(-c2nnco2)cc1Oc1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,HZQCOPHCGKSJCG-UHFFFAOYSA-N,2,1,0.391,67,622,443.452,3.491,6,0.394,0.58,1.0,0.342505654170379,0.2704064149133027,0.1481306970050031,0.12996881639366734,0.222752895620588
EOS-2-11027,c1csc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,AIPGEPJWQQKHGT-UHFFFAOYSA-N,2,1,0.463,56,425,443.452,3.267,6,0.412,0.67,1.0,0.42617024192995684,0.4437153039544925,0.08073469947227743,0.08375882393256116,0.25859476732232195
EOS-2-11028,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6noc(C)n6)s5)n34)nc2)n1,BKHOAGRFFORRIA-UHFFFAOYSA-N,2,1,0.26,86,652,443.452,3.632,6,0.397,0.63,1.0,0.11676718525118224,0.13862141045850182,0.031217874031937497,0.025135357412103352,0.07793545678843124
EOS-2-11029,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnco6)s5)n34)cc2)o1,BNELCGGKDXPVJX-UHFFFAOYSA-N,2,1,0.531,41,78,443.448,4.137,6,0.374,0.66,1.0,0.5128503872250018,0.4303766020149407,0.2861952573504215,0.24950311836063327,0.36973134123774937
EOS-2-11030,c1coc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)o2)c1,JCGPANFFCZWJPM-UHFFFAOYSA-N,2,1,0.488,81,120,443.448,4.137,6,0.374,0.67,1.0,0.410098690973888,0.407622849701871,0.1896374477417586,0.18886642450825852,0.299056353231444
EOS-2-11031,c1cc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)o2)no1,OIWZDSKXLVXKQQ-UHFFFAOYSA-N,2,1,0.531,28,120,443.448,4.137,6,0.374,0.58,1.0,0.5233791378246865,0.4030309780001371,0.27100609965046946,0.23804057295593173,0.35886419710780615
EOS-2-11032,c1csc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)no2)c1,KAPKAGDAMSYNLL-UHFFFAOYSA-N,2,1,0.442,28,59,443.448,4.137,6,0.374,0.7,1.0,0.5259063806456035,0.4701185662394627,0.14514940716880267,0.13888698512781852,0.3200153347954218
EOS-2-11033,NCc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncnc5F)n34)c2)cn1,ZFPAGPLXGURCKE-UHFFFAOYSA-N,2,1,0.495,2,419,443.446,2.258,5,0.376,0.61,1.0,0.5619817010485916,0.35034439037763004,0.352357617709547,0.3102254814611747,0.3937272976492358
EOS-2-11034,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ncn2)c(C)n1,IRCJXNDYXZRQHB-UHFFFAOYSA-N,2,1,0.429,31,194,443.446,2.811,5,0.39,0.58,1.0,0.6104362278116647,0.48305462271263105,0.22797443629634706,0.17778939072030703,0.3748136693852374
EOS-2-11035,CCc1cc(COc2cncc3nnc(-c4cc(-c5cnc(C)nc5F)ncn4)n23)ccn1,PSARUAYPFLPRBW-UHFFFAOYSA-N,2,1,0.373,31,113,443.446,3.022,5,0.365,0.59,0.706,0.49029367418271536,0.43520834761154137,0.23526488931533138,0.1536049619628538,0.32859296826811046
EOS-2-11036,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)c(C)n1,PGIXUEDHKOIRQO-UHFFFAOYSA-N,2,1,0.416,31,466,443.446,2.811,5,0.39,0.6,0.999,0.5515129189226236,0.4789853334247139,0.20001199369474335,0.16964224521965596,0.35003812281543417
EOS-2-11037,Cc1cccc(CCOc2cncc3nnc(-c4cnc(C)nc4-c4cncc(F)n4)n23)n1,MFMNPEFRAZBPTP-UHFFFAOYSA-N,2,1,0.434,65,579,443.446,2.811,5,0.39,0.67,0.999,0.6049105613049139,0.5808032348708108,0.10764341032143102,0.09112637927489549,0.3461208964430128
EOS-2-11038,CCc1ncncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)nn1,MPBKHAIPNCRBNK-UHFFFAOYSA-N,2,1,0.396,31,954,443.446,2.756,5,0.35,0.64,0.271,0.6019378383935302,0.5808118017956274,0.11610753204029882,0.11908882187649922,0.3544864985264889
EOS-2-11039,Cc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(CF)nc5)nc(=N)[nH]4)n23)c1,CPGRBAGWXFQSHE-UHFFFAOYSA-N,2,1,0.42,4,205,443.446,2.808,5,0.413,0.52,1.0,0.3179699814954424,0.1538962374066205,0.32269035706942634,0.22307415530121308,0.25440768281817555
EOS-2-11040,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)nc2)cn1,DDFAVWIBBVOWCD-UHFFFAOYSA-N,2,1,0.478,49,529,443.442,3.413,5,0.353,0.74,1.0,0.7450140497566994,0.6917706120211089,0.5145723391131519,0.3957662257556028,0.5867808066616408
EOS-2-11041,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)n1,NCMHZCCSWQNMLY-UHFFFAOYSA-N,2,1,0.484,15,922,443.442,3.413,5,0.353,0.7,1.0,0.9045815913919539,0.8476286752107464,0.4832088273593311,0.4083767390857378,0.6609489582619423
EOS-2-11042,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccccn1,JFIMHUBCXYXKBE-UHFFFAOYSA-N,2,1,0.478,49,501,443.442,3.413,5,0.353,0.7,1.0,0.7969467479953396,0.5908522376807621,0.382556027688301,0.2942653005277226,0.5161550784730313
EOS-2-11043,COc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cnc(C)cn5)c4)n23)ccn1,CVTRPXOZCHYRPY-UHFFFAOYSA-N,2,1,0.506,16,253,443.442,3.678,5,0.392,0.64,1.0,0.7997138647111233,0.7390686039339319,0.6215560962236996,0.45912720169967786,0.6548664416421082
EOS-2-11044,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cn2)cn1,FDUPSVNYSLFMOP-UHFFFAOYSA-N,2,1,0.516,87,307,443.442,3.413,5,0.377,0.75,1.0,0.7685645260777192,0.8228188609416763,0.49003666643821536,0.3739034336234665,0.6138308717702693
EOS-2-11045,COc1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1cncnc1,OJOBEMJMLSPMHQ-UHFFFAOYSA-N,2,1,0.5,15,215,443.442,3.413,5,0.353,0.67,1.0,0.8820762798985676,0.7781680487972038,0.5811202110890274,0.4652953875676787,0.6766649818381194
EOS-2-11046,Cc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cnc5O)n34)c2)n1,REFVFHQOOLCVIW-UHFFFAOYSA-N,2,1,0.475,87,76,443.442,3.418,5,0.425,0.55,0.874,0.7055205263518607,0.5288876704818039,0.4657323007333288,0.38328421629771775,0.5208561784661778
EOS-2-11047,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)c(F)n3)n12,OKVVTLFVZPLCIW-UHFFFAOYSA-N,2,1,0.49,44,159,443.442,3.413,5,0.353,0.72,0.999,0.7829055582208211,0.6424765266260023,0.49670173394558287,0.3864368446302515,0.5771301658556645
EOS-2-11048,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ccncc1,MYKSIOVVRNYUEW-UHFFFAOYSA-N,2,1,0.468,49,501,443.442,3.413,5,0.377,0.75,0.667,0.6722637242135563,0.5425347817147557,0.41118669042560485,0.33195976972106095,0.4894862415187444
EOS-2-11049,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cncnc1,YOESTQOWIIDXMA-UHFFFAOYSA-N,2,1,0.534,35,215,443.442,3.413,5,0.353,0.65,1.0,0.907777054348571,0.8033805085326571,0.6676889863614557,0.5360753204029881,0.7287304674114179
EOS-2-11050,COCc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncnc5F)n34)cn2)cc1,SQVKZDLHFQGRMA-UHFFFAOYSA-N,2,1,0.451,89,214,443.442,3.508,5,0.352,0.74,1.0,0.8052737989171407,0.6672349393461723,0.6839747104379412,0.5781903228017271,0.6836684428757454
EOS-2-11051,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)cn1,FMVAAMRXLFFNKZ-UHFFFAOYSA-N,2,1,0.622,35,234,443.442,3.413,5,0.377,0.74,1.0,0.8965715166883695,0.794873552189706,0.5415838530601056,0.43399184428757454,0.6667551915564389
EOS-2-11052,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)cn1,VGSXQRZVVCIXGG-UHFFFAOYSA-N,2,1,0.5,35,76,443.442,3.413,5,0.353,0.78,1.0,0.8500188472345966,0.8338016585566445,0.5552395312178741,0.4148019326982386,0.6634654924268384
EOS-2-11053,COCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)c2)cn1,FBWNCTYWUXGIKG-UHFFFAOYSA-N,2,1,0.478,46,160,443.442,3.508,5,0.377,0.69,1.0,0.49030224110753207,0.46561236378589543,0.5843842094441779,0.48966828867109863,0.507491775752176
EOS-2-11054,COc1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ccccn1,ZDVLMGWYERHIDX-UHFFFAOYSA-N,2,1,0.467,49,501,443.442,3.413,5,0.377,0.67,1.0,0.6842916866561579,0.5566359399629909,0.28266568432595435,0.2380491398807484,0.44041061270646287
EOS-2-11055,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)cn1,KNONDOZEMNBOKY-UHFFFAOYSA-N,2,1,0.516,35,76,443.442,3.413,5,0.377,0.77,1.0,0.8545678843122473,0.8265626070865603,0.5484202590638064,0.427635186073607,0.6642964841340553
EOS-2-11056,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)cc1=O,UVBKNEJNUCPUMO-UHFFFAOYSA-N,2,1,0.573,84,73,443.442,2.708,5,0.398,0.74,1.0,0.5259149475704201,0.44372387087930915,0.46574086765814543,0.4495408128298266,0.4712301247344253
EOS-2-11057,COc1nc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1-c1cccc(F)c1,KBWQUFCEXREPHW-UHFFFAOYSA-N,2,1,0.443,49,769,443.442,3.413,5,0.377,0.79,0.999,0.6564663148516209,0.5566445068878075,0.3598451099993146,0.33517236652731136,0.4770320745665136
EOS-2-11058,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)cn1,BXCCVRKSPRDSNB-UHFFFAOYSA-N,2,1,0.6,84,73,443.442,3.413,5,0.377,0.79,1.0,0.8130611335754917,0.7781766157220205,0.4967103008703996,0.39901309026111986,0.6217402851072579
EOS-2-11059,OCc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)n1,NGTQXJHQOBBDMA-UHFFFAOYSA-N,2,1,0.533,35,921,443.442,2.896,5,0.409,0.69,1.0,0.7388544308135152,0.5566530738126242,0.5145809060379686,0.4558546364197108,0.5664857617709547
EOS-2-11060,COc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ccc(F)cn1,NSKOSKVAJIWQMO-UHFFFAOYSA-N,2,1,0.484,49,501,443.442,3.413,5,0.377,0.75,1.0,0.7884911932012885,0.595444109382496,0.4225892673565897,0.33830786101021176,0.5362081077376465
EOS-2-11061,COc1cc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)ccc1-c1cncc(=N)[nH]1,ZSQSSHAFUFOBEX-UHFFFAOYSA-N,2,1,0.586,97,383,443.442,3.388,5,0.416,0.69,1.0,0.870048317455966,0.6331814131999177,0.7741672949078199,0.6499811527654034,0.7318445445822768
EOS-2-11062,COc1ncc(-c2cccc(-c3nnc4cncc(OCc5nccc(C)n5)n34)c2)cc1F,QDYWGDPPJZVNBG-UHFFFAOYSA-N,2,1,0.462,97,655,443.442,3.678,5,0.392,0.7,1.0,0.5963607703378795,0.5520612021108903,0.4517853471317936,0.32538037146186005,0.48139692276060586
EOS-2-11063,OCc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cnc(F)cn4)nc3)n12,DGSCSVAQFIOGIX-UHFFFAOYSA-N,2,1,0.506,84,56,443.442,2.896,5,0.409,0.66,1.0,0.6049191282297307,0.657494345829621,0.5615961894318415,0.4896768555959153,0.5784216297717771
EOS-2-11064,COc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)n1,ZBUUGHXPPDWKEO-UHFFFAOYSA-N,2,1,0.602,84,56,443.442,3.413,5,0.377,0.62,1.0,0.8588770474950311,0.822827427866493,0.5002655746693166,0.4179031594818724,0.6499683023781784
EOS-2-11065,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cc1=O,GPBLBCXNLJHPGA-UHFFFAOYSA-N,2,1,0.505,15,470,443.442,2.708,5,0.398,0.69,1.0,0.45170824480844357,0.31148481940922484,0.4372215749434583,0.42764375299842367,0.4070145980398876
EOS-2-11066,COc1ncccc1-c1nc(COc2cncc3nnc(-c4ccc(C)nc4)n23)ccc1F,YMJHODSYJQMCJE-UHFFFAOYSA-N,2,1,0.517,4,205,443.442,3.678,5,0.392,0.74,1.0,0.601946405318347,0.642485093550819,0.43723014186827497,0.297400795010623,0.494765608937016
EOS-2-11067,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2F)cn1,OFULUCUEOCHRSQ-UHFFFAOYSA-N,2,1,0.612,35,796,443.442,3.413,5,0.377,0.76,1.0,0.9152474127887054,0.8073469947227743,0.4694760468782126,0.3704766636967994,0.6406367795216229
EOS-2-11068,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1ccc(C)nn1,AUJTYOXDWHIAEJ-UHFFFAOYSA-N,2,1,0.479,72,224,443.442,3.678,5,0.367,0.7,1.0,0.6476338153656364,0.6047991912822973,0.5382855870056884,0.39279350284421904,0.5458780241244603
EOS-2-11069,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)nc1O,NAOYJDFBTQQHRH-UHFFFAOYSA-N,2,1,0.432,11,529,443.442,3.418,5,0.398,0.62,0.996,0.6445154547323693,0.5755088753341101,0.44099102186279215,0.3511668151600302,0.5030455417723254
EOS-2-11070,COc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1ccccn1,JHOIMLHGAFMWGU-UHFFFAOYSA-N,2,1,0.454,49,769,443.442,3.413,5,0.353,0.64,0.997,0.7177198272907956,0.570428688917826,0.29711808649167293,0.23805770680556507,0.45583107737646494
EOS-2-11071,OCc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)n1,ODCIOQHOSZFHPI-UHFFFAOYSA-N,2,1,0.469,87,307,443.442,2.896,5,0.409,0.59,0.998,0.6784147762319238,0.5520697690357069,0.49671886779521623,0.45913576862449457,0.5465847954218354
EOS-2-11072,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccncn1,CIMWKALPKYMKHB-UHFFFAOYSA-N,2,1,0.528,35,777,443.442,3.413,5,0.353,0.65,1.0,0.9332122541292578,0.7910698375711055,0.6215646631485162,0.4804759783428141,0.7065806832979235
EOS-2-11073,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cccnn1,VVSYNMKRSKYGDQ-UHFFFAOYSA-N,2,1,0.522,72,925,443.442,3.413,5,0.353,0.72,1.0,0.9138424371187719,0.7867092728394216,0.5907065999588788,0.46849941744911244,0.6899394318415463
EOS-2-11074,COc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ncn4)n23)n1,SSSQWICQANNCHZ-UHFFFAOYSA-N,2,1,0.438,44,130,443.442,3.413,5,0.377,0.73,0.999,0.6784233431567405,0.5755174422589268,0.42259783428140635,0.36093310945103146,0.5093679322870263
EOS-2-11075,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccccn1,UCSOZGIHHSKWRT-UHFFFAOYSA-N,2,1,0.462,49,501,443.442,3.413,5,0.377,0.63,1.0,0.7941282297306559,0.5861061613323282,0.4044445205948873,0.3222705777534096,0.5267373723528201
EOS-2-11076,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5nncn5C5COC5)cc4)n23)c1,IZVAGOJFKNXJRH-UHFFFAOYSA-N,2,1,0.598,43,520,443.442,3.339,6,0.397,0.69,1.0,0.7969553149201563,0.604807758207114,0.5108200260434514,0.5558220821054074,0.6171012953190322
EOS-2-11077,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ccccn1,KCXASSJOHZDSLS-UHFFFAOYSA-N,2,1,0.474,49,501,443.442,3.413,5,0.377,0.68,0.869,0.7420070591460489,0.5755260091837434,0.32269892399424305,0.25860975944075115,0.4747104379411966
EOS-2-11078,CC(C)(Oc1cncc2nnc(-c3ccc(Oc4cccnn4)cc3)n12)c1ncccc1F,BXJYDDLQFUMYGM-UHFFFAOYSA-N,2,1,0.483,72,881,443.442,4.222,5,0.385,0.72,1.0,0.8723099856075663,0.7739017202385032,0.6538448358577205,0.4591443355493112,0.6898002193132753
EOS-2-11079,COc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccc(F)nc1,DUVHOFBPBHYABZ-UHFFFAOYSA-N,2,1,0.5,49,769,443.442,3.413,5,0.353,0.72,1.0,0.7269635391679803,0.5808203687204441,0.38986361455691865,0.30364608320197384,0.5003234014118292
EOS-2-11080,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)n1,OVYZRSUNUZWCRU-UHFFFAOYSA-N,2,1,0.464,11,278,443.442,3.413,5,0.353,0.73,1.0,0.690348502501542,0.7295593173874306,0.46222842848331164,0.35117538208484683,0.5583279076142827
EOS-2-11081,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cccnn1,KXEWLXSKQFKNEG-UHFFFAOYSA-N,2,1,0.526,72,925,443.442,3.413,5,0.377,0.73,1.0,0.8983277362757864,0.7739102871633199,0.5843927763689946,0.48048454526763074,0.6842788362689329
EOS-2-11082,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ccccn1,ZOZDSGCGPFOHQN-UHFFFAOYSA-N,2,1,0.458,49,501,443.442,3.413,5,0.377,0.68,0.982,0.7330203550133644,0.5658882187649921,0.32630559934206016,0.2705263518607361,0.47393513124528813
EOS-2-11083,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2)cc1=O,VYGVEVUVAGTTOC-UHFFFAOYSA-N,2,1,0.535,15,470,443.442,2.708,5,0.398,0.7,1.0,0.607694811870331,0.47441916249742994,0.507453224590501,0.4745648002193133,0.5160329997943939
EOS-2-11084,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cc2)ccc1=O,TXNPMGXSWKMYJE-UHFFFAOYSA-N,2,1,0.505,72,848,443.442,2.708,5,0.372,0.68,0.999,0.6784319100815571,0.5243729011034199,0.35236618463436364,0.3285415667192105,0.4709281406346378
EOS-2-11085,COc1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(C)c(F)c5)n34)cn2)cn1,QKMWUZQACDOHTC-UHFFFAOYSA-N,2,1,0.529,16,214,443.442,3.678,5,0.392,0.78,1.0,0.8154855732986087,0.6235950243300665,0.6035569871838805,0.43696456719895826,0.6199005380028785
EOS-2-11086,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cn1,JJEXPXOHCJCDSZ-UHFFFAOYSA-N,2,1,0.454,18,367,443.442,2.896,5,0.409,0.62,0.998,0.5904752929888287,0.47899390034953054,0.5212459735453362,0.47457336714412995,0.5163221335069564
EOS-2-11087,Cn1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(-c2cccnc2F)c1=O,RALOZSMTAAWGMZ-UHFFFAOYSA-N,2,1,0.494,35,393,443.442,2.708,5,0.372,0.63,1.0,0.4349256390925913,0.24993146460146665,0.4759183743403468,0.4431327530669591,0.40097705777534093
EOS-2-11088,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(-c2ccc(F)cc2)c1=O,PNMNRHJXGBUJPE-UHFFFAOYSA-N,2,1,0.553,19,393,443.442,2.708,5,0.398,0.76,0.995,0.370074018230416,0.23431396066068125,0.3561013638544308,0.40487286683572066,0.3413405523953122
EOS-2-11089,Cc1cnc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)cn1,KVPNVTFCKYAZGK-UHFFFAOYSA-N,2,1,0.552,35,669,443.442,3.838,5,0.35,0.75,1.0,0.9298283188266739,0.895603454184086,0.5552480981426907,0.4276523199232404,0.7020830477691727
EOS-2-11090,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)cn1,QTHOFAZMKIHJSS-UHFFFAOYSA-N,2,1,0.495,87,304,443.442,3.413,5,0.377,0.72,0.999,0.7713573435679528,0.8228359947913098,0.4933092317181824,0.3864454115550682,0.6184869954081282
EOS-2-11091,COc1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1ncccn1,KYWJHZHIAIDQLO-UHFFFAOYSA-N,2,1,0.522,15,771,443.442,3.413,5,0.353,0.69,1.0,0.9093105338907546,0.7739188540881365,0.43350352957302446,0.3253889383866767,0.610530463984648
EOS-2-11092,Cn1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)ccc1=O,MFCYGYPIGWVHLW-UHFFFAOYSA-N,2,1,0.529,72,628,443.442,2.708,5,0.372,0.73,1.0,0.5515214858474402,0.4483157425810431,0.4262045096292235,0.389932149955452,0.4539934720032897
EOS-2-11093,OCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccc2F)cn1,RMRGASLEDFGVIG-UHFFFAOYSA-N,2,1,0.584,11,494,443.442,2.896,5,0.409,0.76,1.0,0.8931447467617024,0.8265711740113769,0.4867298334589816,0.44954937975464326,0.6639987834966761
EOS-2-11094,COc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5F)c(C)n4)n23)ccn1,AGKYMYMGFSVFNO-UHFFFAOYSA-N,2,1,0.385,49,348,443.442,3.678,5,0.367,0.73,1.0,0.6993866081831266,0.5861147282571448,0.5348673840038379,0.3771759989034336,0.5493861798368858
EOS-2-11095,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)s2)n1C,LSQPYGHXSHOEBS-UHFFFAOYSA-N,2,1,0.283,38,193,456.56,4.747,6,0.381,0.64,1.0,0.04860016448495648,0.06087656774724145,0.10234048385991365,0.13889555205263518,0.08767819203618668
EOS-2-11096,Cc1nc(-c2cccs2)c(-c2nnc3cncc(-c4ccc(-c5ccn(C)n5)cn4)n23)s1,DJOKSRAJXHQAMK-UHFFFAOYSA-N,2,1,0.264,70,935,456.56,4.747,6,0.381,0.64,0.999,0.024535672674936605,0.07938112535124392,0.09488725926941265,0.10969090535261462,0.07712374066205195
EOS-2-11097,COc1ccc(F)cc1Oc1cncc2nnc(-c3ccc(-c4cccnc4)c(OC)c3)n12,GXOQEXXTEKIGIL-UHFFFAOYSA-N,2,1,0.523,1,209,443.438,4.802,5,0.373,0.74,1.0,0.8310259749160441,0.7390771708587486,0.8641628401069152,0.7284970187101638,0.7906907511479679
EOS-2-11098,N#Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nn1,IFFFTVMANHTELV-UHFFFAOYSA-N,2,1,0.299,70,705,443.434,2.763,6,0.403,0.59,1.0,0.034062093071071206,0.08279076142827771,0.242469673086149,0.29740936193543965,0.16418297238023438
EOS-2-11099,N#Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cn1,LGMDDIZHQRRKBH-UHFFFAOYSA-N,2,1,0.28,42,174,443.43,3.837,6,0.398,0.62,1.0,0.20787643067644437,0.18649338633404153,0.490045233363032,0.4926667123569324,0.3442704406826126
EOS-2-11100,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cn1,PHHJNMYAUOBTNE-UHFFFAOYSA-N,2,1,0.31,9,57,443.43,3.837,6,0.398,0.72,1.0,0.2462476869302995,0.2704149818381194,0.6096309368788979,0.5654770063737921,0.4229426530052772
EOS-2-11101,COc1ccnnc1COc1cncc2nnc(-c3cncc(-c4cnn(C)c(=O)c4)c3)n12,BDQUPGQTJCUFBU-UHFFFAOYSA-N,2,1,0.366,92,36,443.427,1.325,5,0.378,0.58,1.0,0.1409944486327188,0.09568398327736276,0.12448598451099993,0.07095983825645946,0.10803106366938522
EOS-2-11102,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4[N+](=O)[O-])n23)cc1,SNOZFCODOFLRDF-UHFFFAOYSA-N,2,1,0.646,91,402,443.427,2.512,5,0.274,0.76,1.0,0.6813703652936742,0.30634466451922415,0.0807432663970941,0.031723322596120894,0.27504540470152833
EOS-2-11103,COc1cncc(COc2cncc3nnc(-c4ccc(-c5cnncn5)c(OC)c4)n23)n1,KAAUSZKZWOGRFX-UHFFFAOYSA-N,2,1,0.429,92,248,443.427,2.03,5,0.365,0.67,1.0,0.4078113220478377,0.21413885271742855,0.21398464807072853,0.09496436159276266,0.23272479610718938
EOS-2-11104,N#Cc1cccn1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,LBNOMWDTELCTTD-UHFFFAOYSA-N,2,1,0.472,1,430,443.417,4.365,5,0.387,0.68,0.999,0.6049276951545474,0.5566616407374408,0.9359965046946748,0.8887327804811185,0.7465796552669454
EOS-2-11105,Cn1nc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)cc1-c1cncs1,CBACPBUHSMHMMK-UHFFFAOYSA-N,2,1,0.46,95,998,443.414,3.645,5,0.386,0.6,0.975,0.37474299225549995,0.33562641354259476,0.7440374203275992,0.7395226509492153,0.5484823692687273
EOS-2-11106,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)s4)n23)nc1F,FYMJBDOZXZYFSV-UHFFFAOYSA-N,2,1,0.413,46,223,443.414,3.645,5,0.386,0.55,0.911,0.5904838599136454,0.5808289356452607,0.7002775683640601,0.6554725515728874,0.6317657288739634
EOS-2-11107,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc6c(c5)OCO6)n34)c(F)c2)ccc1F,MXUIEKYAKVSKFP-UHFFFAOYSA-N,2,1,0.435,96,46,443.413,4.836,6,0.397,0.83,1.0,0.5103402782537181,0.6145140840243986,0.9175433486395723,0.887353505585635,0.732437804125831
EOS-2-11108,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)on5)n34)c(F)c2)n1,GZGUWPJATUYOKS-UHFFFAOYSA-N,2,1,0.306,99,765,443.406,2.176,6,0.402,0.6,1.0,0.21879069289287917,0.259929065862518,0.11891748338016586,0.14122575560276884,0.18471574943458297
EOS-2-11109,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)c(F)c5)n34)no2)n1C,RUDNAFAKHNZSFY-UHFFFAOYSA-N,2,1,0.321,42,314,443.402,3.344,6,0.403,0.66,1.0,0.28631519429785485,0.30124734425330685,0.16695223082722227,0.2119200191899116,0.2416086971420739
EOS-2-11110,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(C)n5)n34)cc2C#N)no1,ZRSUKKJLQOTELY-UHFFFAOYSA-N,2,1,0.44,51,677,443.402,2.838,5,0.398,0.7,1.0,0.6564748817764375,0.6283239668288672,0.22798300322116374,0.18887499143307518,0.4254142108148859
EOS-2-11111,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc6c(c5)OCO6)nc4)n23)nc1,PQGVMRPVMXTLHG-UHFFFAOYSA-N,2,1,0.495,51,196,443.398,3.09,6,0.405,0.77,1.0,0.8500274141594133,0.6917791789459256,0.5108285929682681,0.4306935782331574,0.6208321910766911
EOS-2-11112,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4)n23)ccc1-c1cnco1,VSQDKGUCVIKGJX-UHFFFAOYSA-N,2,1,0.451,49,348,443.398,3.44,5,0.388,0.63,1.0,0.8385820026043451,0.6192430265231992,0.7078250291275444,0.5814971557809608,0.6867868035090123
EOS-2-11113,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)no1,NLCONMZKWHNWDA-UHFFFAOYSA-N,2,1,0.448,92,728,443.391,0.729,6,0.382,0.61,1.0,0.27522102666027004,0.23997669796449866,0.009492152696867932,0.005739839627167432,0.13260742923720104
EOS-2-11114,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)s2)nn1,IKAMDTMFHUETEB-UHFFFAOYSA-N,2,1,0.521,50,243,443.389,4.53,5,0.381,0.64,0.557,0.3102854499348914,0.5425433486395723,0.9347200328969913,0.8816907682818176,0.6673098999383181
EOS-2-11115,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)no1,LBBWSINXEBIIFO-UHFFFAOYSA-N,2,1,0.548,56,8,443.387,1.599,6,0.366,0.63,1.0,0.3677609485299157,0.20437255842642724,0.024569940374203274,0.02177712288396957,0.15462014255362894
EOS-2-11116,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)o1,CSIVSEWVKPPOCH-UHFFFAOYSA-N,2,1,0.383,99,502,443.387,1.599,6,0.366,0.54,1.0,0.19952367898019327,0.057064286203824276,0.023593310945103144,0.016534164896168872,0.0741788602563224
EOS-2-11117,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)on2)nn1,NUSIUCULDXGRTE-UHFFFAOYSA-N,2,1,0.446,80,833,443.387,1.599,6,0.366,0.66,1.0,0.32271605784387636,0.2141474196422452,0.032468645055171,0.024184428757453226,0.14837913782468645
EOS-2-11118,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)c1F,PIAXKFFSHAZCJQ-UHFFFAOYSA-N,2,1,0.302,3,783,443.377,3.367,6,0.408,0.63,1.0,0.09372215749434583,0.23998526488931532,0.5939791652388459,0.6413114248509355,0.3922495031183606
EOS-2-11119,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nn4)n23)cc1F,RYGHGJRMDRCGOV-UHFFFAOYSA-N,2,1,0.415,54,411,443.377,2.767,5,0.403,0.64,0.96,0.7969638818449729,0.6477880200123364,0.6424765266260023,0.6292406277842506,0.6791172640668905
EOS-2-11120,Fc1ccc(-c2nnc3cncc(Oc4ccnc(-c5nnc6ncccn56)c4)n23)cc1F,QUENZQXYUHEYBQ-UHFFFAOYSA-N,2,1,0.457,13,374,443.377,3.362,6,0.408,0.7,1.0,0.7829141251456377,0.7480553080666164,0.5002741415941334,0.5815057227057775,0.6531873243780412
EOS-2-11121,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cn5)n34)nn2)c1F,YJWQUILJCYRSGL-UHFFFAOYSA-N,2,1,0.298,10,37,443.377,3.367,6,0.408,0.69,0.924,0.06226440956754164,0.12464018915769995,0.4967274347200329,0.552352477554657,0.30899612774998286
EOS-2-11122,Fc1cccc(F)c1-c1noc(-c2nnc3cncc(-c4cnn(-c5cccnc5)c4)n23)n1,VPAYNWLOHPAWKP-UHFFFAOYSA-N,2,1,0.279,10,673,443.377,3.367,6,0.408,0.64,0.892,0.05335480775820711,0.07239908162565965,0.3973511068466863,0.4958279076142828,0.25473322596120895
EOS-2-11123,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cc1F,YYRQJVBTAUAUBX-UHFFFAOYSA-N,2,1,0.31,3,289,443.377,3.367,6,0.408,0.74,0.989,0.127552943595367,0.25993763278733467,0.5616047563566582,0.6056558837639641,0.388687804125831
EOS-2-11124,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)cc1F,KQDRLFFYJFAIGD-UHFFFAOYSA-N,2,1,0.31,3,783,443.377,3.367,6,0.408,0.71,1.0,0.08411863477486121,0.24994003152628333,0.6330272085532177,0.6698821191145227,0.4092419984922212
EOS-2-11125,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)o2)cc1F,ONFSXAOQYKCAJI-UHFFFAOYSA-N,2,1,0.321,3,641,443.377,3.572,6,0.439,0.67,1.0,0.3329449660749777,0.4569083681721609,0.5651000616818587,0.6056644506887807,0.4901544616544445
EOS-2-11126,Fc1ccc(-n2cc(-c3cncc4nnc(-c5noc(-c6ccc(F)cn6)n5)n34)cn2)cc1,FXGVMSDWBAVMJU-UHFFFAOYSA-N,2,1,0.305,10,673,443.377,3.367,6,0.408,0.72,0.908,0.04860873140977315,0.06858680008224248,0.38256459461311765,0.502552943595367,0.25057826742512507
EOS-2-11127,Fc1c(-c2nc[nH]n2)ccc(-c2nnc3cncc(-c4ccc(-c5cnoc5)cn4)n23)c1F,CVGPSRVLUPOHCK-UHFFFAOYSA-N,2,1,0.308,42,154,443.377,3.572,6,0.439,0.67,1.0,0.29995373860599,0.3405266945377287,0.6815245699403742,0.6818843807826742,0.5009723459666917
EOS-2-11128,Fc1cc(F)cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)c1,QYZGDIDQTNWJST-UHFFFAOYSA-N,2,1,0.321,3,158,443.377,3.367,6,0.408,0.72,1.0,0.10365122335686382,0.1997806867246933,0.4186570488657392,0.512713316427935,0.3087005688438078
EOS-2-11129,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cc1F,MLCQUSMQLSYTFV-UHFFFAOYSA-N,2,1,0.467,73,775,443.377,2.767,5,0.403,0.7,1.0,0.8154941402234254,0.8265797409361936,0.5972174628195462,0.5937135905695292,0.7082512336371736
EOS-2-11130,Fc1cccc(-c2coc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)c1F,HPXARIJOJAPOCV-UHFFFAOYSA-N,2,1,0.355,38,479,443.373,4.442,6,0.393,0.7,1.0,0.3884672058118018,0.43038516893975737,0.7103008703995614,0.7259440751147967,0.5637743300664793
EOS-2-11131,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)o2)c(F)c1,LYYYRMXTZPHTIU-UHFFFAOYSA-N,2,1,0.368,3,641,443.373,4.442,6,0.393,0.82,1.0,0.38627407305873485,0.5380200123363718,0.7028476458090603,0.7445257350421493,0.592916866561579
EOS-2-11132,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnco6)nc5)n34)o2)cc1F,BLVVOSSBXHWJJZ-UHFFFAOYSA-N,2,1,0.283,42,287,443.373,4.442,6,0.393,0.72,1.0,0.37930059625796725,0.3457268179014461,0.7464447262010828,0.7575474607634843,0.5572549002809951
EOS-2-11133,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncco4)cc3F)n12,KJQKKNLSGAVNBO-UHFFFAOYSA-N,2,1,0.355,3,923,443.373,4.442,6,0.393,0.66,1.0,0.3562384346514975,0.4171235693235556,0.7856898087862381,0.7798814337605373,0.5847333116304572
EOS-2-11134,Cc1nc(-c2cc(-c3cncc4nnc(-c5cc(F)cc(C(F)(F)F)c5)n34)n(C)n2)n[nH]1,UNQCNYUACXVRKD-UHFFFAOYSA-N,2,1,0.31,22,542,443.368,3.443,5,0.429,0.7,0.97,0.19130799808100885,0.3356349804674114,0.859836543074498,0.7911812075937221,0.5444901823041601
EOS-2-11135,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)o2)n1C,YQYQNTYJZNOGLH-UHFFFAOYSA-N,2,1,0.337,22,542,443.364,4.313,5,0.386,0.72,1.0,0.28362517990542113,0.4744277294222466,0.9060551024604208,0.8469604550750462,0.6277671167157837
EOS-2-11136,Fc1cc(Oc2cncc3nnc(-c4ccc(-c5ccoc5)nc4)n23)nnc1-c1nnco1,CBDDAYJBEJUAQZ-UHFFFAOYSA-N,2,1,0.362,6,719,443.358,3.218,6,0.387,0.62,0.912,0.6753735179220067,0.5197467617024193,0.2209666917963128,0.23806627373038175,0.4135383112877802
EOS-2-11137,Cn1ncnc1COc1cncc2nnc(-c3ccc(-c4nnn(C(F)F)n4)c(F)c3)n12,RGFVZKMMKHRSBC-UHFFFAOYSA-N,2,1,0.452,36,404,443.353,1.686,5,0.385,0.62,1.0,0.4704012747584127,0.5808375025700775,0.10765197724624768,0.11220958124871497,0.3177750839558632
EOS-2-11138,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)no1,ZPIAEXFKJBPAAX-UHFFFAOYSA-N,2,1,0.571,36,728,443.349,2.568,5,0.403,0.72,1.0,0.5515300527722569,0.5380285792611884,0.6483448701254197,0.5523610444794737,0.5725661366595847
EOS-2-11139,Cn1nc(-c2nncn2C(F)F)cc1Oc1cncc2nnc(-c3cc(O)ccc3F)n12,OIJUGKZZVOJGGB-UHFFFAOYSA-N,2,1,0.354,36,292,443.349,2.815,5,0.44,0.56,0.99,0.5491141799739565,0.6236035912548832,0.5145894729627852,0.47757179082996365,0.5412197587553971
EOS-2-11140,Fc1ccc(-n2nccc2-c2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cc1F,IYEOEZXMWMMXKI-UHFFFAOYSA-N,2,1,0.337,45,315,443.339,4.394,5,0.304,0.53,0.19,0.10610136385443081,0.36973990816256597,0.9601466657528613,0.9576451237063943,0.5984082653690631
EOS-2-11141,Fc1cc(-n2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cc(F)c1F,HIAGQIYAOWFEDY-UHFFFAOYSA-N,2,1,0.378,45,243,443.339,4.394,5,0.304,0.72,0.615,0.08195120279624427,0.3839010348845179,0.9735796038653964,0.9667174970872455,0.601537334658351
EOS-2-11142,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)c(F)c1F,FBMSQRGSSFSDKK-UHFFFAOYSA-N,2,1,0.326,22,681,443.339,4.394,5,0.304,0.73,0.894,0.16863134809128916,0.4171321362483723,0.9713522034130628,0.9727571790829964,0.6324682167089302
EOS-2-11143,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)on2)c(F)c1F,ZOGVNEDSIGWIRE-UHFFFAOYSA-N,2,1,0.346,45,46,443.335,5.468,5,0.272,0.73,1.0,0.42369440065793984,0.6096994722774313,0.9932321293948324,0.9940117195531492,0.7551594304708381
EOS-2-11144,FC(F)c1c(Cl)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1Cl,PJNSDNWJURQXGU-UHFFFAOYSA-N,2,1,0.545,90,255,456.667,5.663,4,0.387,0.73,1.0,0.9061407717085875,0.9244054554177232,0.9908162565965322,0.9945685696662326,0.9539827633472688
EOS-2-11145,Fc1cc(F)c(-c2nnc3cncc(OCc4ccc(-c5ccno5)nn4)n23)c(F)c1F,DFISMEFFZZVDMJ-UHFFFAOYSA-N,2,1,0.488,73,877,443.32,3.372,5,0.231,0.55,1.0,0.6216074977725995,0.6818758138578576,0.8361489959564115,0.8214738537454596,0.740276540333082
EOS-2-11146,Fc1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c(F)c2)o1,KDWREOOIKQLRNV-UHFFFAOYSA-N,2,1,0.523,34,391,443.32,3.372,5,0.381,0.65,1.0,0.9108440134329381,0.8772102666027003,0.8127527242820917,0.8110479062435748,0.8529637276403262
EOS-2-11147,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cc(-c4csnn4)ccc3Cl)n12,JEFWXEUYEJKIBE-UHFFFAOYSA-N,2,1,0.395,45,730,443.294,5.423,5,0.372,0.75,1.0,0.21582653690631212,0.5658967856898088,0.9240970461243232,0.9672657802755124,0.6682715372489891
EOS-2-11148,Fc1cc(-c2nnc3cncc(-c4csc(-c5ccc(Cl)nc5)n4)n23)ccc1Cl,CBEJZUPOCYJVNX-UHFFFAOYSA-N,2,1,0.373,45,140,443.294,5.423,5,0.348,0.79,1.0,0.340081214447262,0.6283325337536838,0.8671783976423822,0.930368035090124,0.691490045233363
EOS-2-11149,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccccc5Cl)n34)s2)cc1Cl,ZBDKJUDHOBAJEV-UHFFFAOYSA-N,2,1,0.463,45,730,443.294,5.423,5,0.372,0.77,1.0,0.24335206634226578,0.5566702076622576,0.7960643547392228,0.9221266534164896,0.629553320540059
EOS-2-11150,Cn1nc(-c2ccc(Cl)c(Cl)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,RVGATXJWTOWICY-UHFFFAOYSA-N,2,1,0.441,45,316,456.724,5.214,5,0.372,0.82,1.0,0.25176478651223355,0.515189157699952,0.7286769241313138,0.8969570283051196,0.5981469741621548
EOS-2-11151,Cn1cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2nc(Cl)ccc2Cl)n1,RFKMTUOMDIZXSR-UHFFFAOYSA-N,2,1,0.431,45,46,456.724,5.214,5,0.348,0.76,1.0,0.18842951134260846,0.4614659721746282,0.7602460420807347,0.895603454184086,0.5764362449455143
EOS-2-11152,Cn1nc(-c2cocn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,KKRHHQDYEHGKJW-UHFFFAOYSA-N,2,1,0.512,36,446,443.254,3.461,5,0.406,0.65,0.997,0.46067781509149475,0.6575029127544376,0.16696079775203893,0.3319683366458776,0.4042774655609622
EOS-2-11153,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)on1,ILJPDLRMSWCOBN-UHFFFAOYSA-N,2,1,0.517,36,446,443.254,3.461,5,0.406,0.7,1.0,0.6273644712494003,0.7159379069289288,0.3154684394489754,0.46850798437392915,0.5318197005003085
EOS-2-11154,Cn1c(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nnc1-c1ccno1,CIKMEPZRMVZKMU-UHFFFAOYSA-N,2,1,0.53,36,446,443.254,3.461,5,0.406,0.64,1.0,0.4704098416832294,0.652902474127887,0.17987972037557398,0.37391200054828316,0.4192760091837434
EOS-2-11155,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)cc1F,NRZLEZKSSXZVAO-UHFFFAOYSA-N,2,1,0.375,45,102,443.244,5.229,5,0.383,0.79,1.0,0.07982660544171065,0.47443629634706325,0.9794993489137139,0.9916986498526489,0.6313652251387842
EOS-2-11156,Fc1cc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)c(F)c5)c4)n23)ccc1Cl,FRGKRQROALEOFN-UHFFFAOYSA-N,2,1,0.375,45,102,443.244,5.229,5,0.383,0.76,1.0,0.08887327804811185,0.4744448632718799,0.9795079158385306,0.9917072167774655,0.633633318483997
EOS-2-11157,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc(F)c1Cl,MEOVZVMOFMSLOL-UHFFFAOYSA-N,2,1,0.429,45,102,443.244,5.229,5,0.359,0.72,1.0,0.10859433897608115,0.519755328627236,0.9773490507847303,0.9900538002878487,0.648938129668974
EOS-2-11158,Fc1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5Cl)c4)n23)c(F)c1,GJZMPHKMDBKHJE-UHFFFAOYSA-N,2,1,0.385,45,730,443.244,5.229,5,0.383,0.75,1.0,0.07554314303337674,0.41714070317318896,0.970032896991296,0.9881091083544651,0.6127064628880817
EOS-2-11159,Fc1cc(Cl)c(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1F,ZDFYZDNYIAYTMC-UHFFFAOYSA-N,2,1,0.662,23,444,456.758,5.201,4,0.305,0.74,1.0,0.9954252621478994,0.9943972311698992,0.9992803783154,0.9993746144883833,0.9971193715303954
EOS-2-11160,Fc1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)n[nH]1,MMSDJMGRQMROKN-UHFFFAOYSA-N,2,1,0.46,13,446,443.229,4.21,5,0.444,0.59,1.0,0.7146014666575287,0.8338102254814612,0.7363614556918648,0.8214824206702762,0.7765638921252827
EOS-2-11161,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cnncc3-c3cc(F)c(F)c(F)c3)n12,BUJGEVGKNTYKOE-UHFFFAOYSA-N,2,1,0.395,45,102,456.79,5.125,5,0.278,0.62,1.0,0.3906517716400521,0.7436433417860325,0.9895654855732986,0.9955194983208827,0.7798450243300664
EOS-2-11162,COc1cc(-c2nnco2)cc(F)c1Oc1cncc2nnc(-c3c(F)cccc3Cl)n12,BRPVGLOHRNWQOV-UHFFFAOYSA-N,2,1,0.432,13,671,456.796,4.574,5,0.379,0.66,1.0,0.8431053389075458,0.8265883078610102,0.8489908162565966,0.8214909875950929,0.8350438626550614
EOS-2-11163,O=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2F)o1,JGMHSSYNJVGWJD-UHFFFAOYSA-N,2,1,0.667,59,96,456.796,3.645,5,0.429,0.64,1.0,0.9258789664861902,0.8743232129394832,0.8712648207799328,0.8789322184908506,0.8875998046741143
EOS-2-11164,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ncc2F)o1,JEOFJUQBLNMPMX-UHFFFAOYSA-N,2,1,0.511,73,391,456.8,3.45,5,0.392,0.66,1.0,0.8588856144198479,0.9091306284696046,0.3409379069289288,0.4399030224110753,0.6372142930573641
EOS-2-11165,FC(F)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ncc(Cl)cn5)o4)n23)cc1,PJJDVXHBWYGSRK-UHFFFAOYSA-N,2,1,0.483,27,51,456.8,3.801,5,0.376,0.75,1.0,0.7628589541498184,0.8338187924062779,0.5002827085189501,0.555830649030224,0.6631977760263176
EOS-2-11166,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5conn5)ncc4Cl)n23)cn1,BBCZOLNTUYKXPJ-UHFFFAOYSA-N,2,1,0.458,27,69,456.8,3.801,5,0.376,0.62,0.999,0.7085532177369611,0.7295678843122473,0.7697124940031527,0.7313840723733809,0.7348044171064355
EOS-2-11167,FC(F)c1ccc(-c2nnc3cncc(OCc4noc(-c5cccc(Cl)n5)n4)n23)cn1,YGPGCGZSYSSHDB-UHFFFAOYSA-N,2,1,0.436,27,69,456.8,3.801,5,0.351,0.71,1.0,0.5733414433554931,0.6097080392022479,0.4832173942841478,0.48968542252073194,0.5389880748406551
EOS-2-11168,FC(F)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncc(Cl)o5)c4)n23)cn1,OYUJYYJPPAQMJX-UHFFFAOYSA-N,2,1,0.452,27,69,456.8,3.801,5,0.376,0.6,0.98,0.7912583099170721,0.7781851826468371,0.6570145980398876,0.602383318483997,0.7072103522719485
EOS-2-11169,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)cnc1Cl,RVESNJGBHRKLJF-UHFFFAOYSA-N,2,1,0.432,54,773,456.8,3.184,5,0.355,0.57,0.972,0.779890000685354,0.6575114796792544,0.5182132821602358,0.5558392159550408,0.6278634946199713
EOS-2-11170,FC(F)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)nc5)o4)n23)nc1,XUIITORYEWQJRO-UHFFFAOYSA-N,2,1,0.421,46,52,456.8,3.801,5,0.351,0.69,0.999,0.590492426838462,0.657520046604071,0.6068038516893975,0.6177952162291823,0.6181528853402782
EOS-2-11171,FC(F)c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)nc5)n4)n23)cn1,GKLLANLWYXVVQT-UHFFFAOYSA-N,2,1,0.443,27,69,456.8,3.801,5,0.351,0.71,0.998,0.6077033787951477,0.6818843807826742,0.5750548283188267,0.5558477828798575,0.6051225926941265
EOS-2-11172,Fc1cc(CCOc2cncc3nnc(-c4cnc(-c5ncno5)c(F)c4)n23)cnc1Cl,QGKOACPPEWKOBP-UHFFFAOYSA-N,2,1,0.479,65,981,456.8,3.184,5,0.355,0.56,1.0,0.6903570694263587,0.6917877458707422,0.5246641765471867,0.5750805290932767,0.620472380234391
EOS-2-11173,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c(F)c2)n1,AELPIIWMVULGNX-UHFFFAOYSA-N,2,1,0.433,36,379,456.804,2.282,5,0.366,0.63,1.0,0.5649287231855253,0.6672435062709889,0.26044308135151806,0.335180933452128,0.45694906106504013
EOS-2-11174,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2F)n1,ILNJLMKHXWFTDT-UHFFFAOYSA-N,2,1,0.449,36,379,456.804,2.282,5,0.366,0.7,1.0,0.6445240216571859,0.6818929477074909,0.25658796518401755,0.3383164279350284,0.48033034062093066
EOS-2-11175,FC(F)n1cc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)nn1,IBNOJZXMMXARII-UHFFFAOYSA-N,2,1,0.485,92,434,456.804,2.862,5,0.355,0.67,1.0,0.29733225961208964,0.5197638955520526,0.45542629017887737,0.41791172640668905,0.4226085429374272
EOS-2-11176,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)nn5)nn4)n23)cn1,FCDHJOVLQRSWPF-UHFFFAOYSA-N,2,1,0.477,36,52,456.804,2.727,5,0.379,0.59,0.996,0.2622164347885683,0.46147453909944486,0.397359673771503,0.39577479268041943,0.3792063600849839
EOS-2-11177,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)cn1,UHXFXKNDDAAKSP-UHFFFAOYSA-N,2,1,0.366,51,924,456.804,2.862,5,0.379,0.59,0.996,0.3793091631827839,0.4569169350969776,0.3935473922280858,0.38994071688026866,0.40492855184702903
EOS-2-11178,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)cc5OC(F)F)n34)cn2)n1,ZFIBTMUGSZWTQU-UHFFFAOYSA-N,2,1,0.398,50,542,456.804,2.694,5,0.392,0.66,0.998,0.3494876978959633,0.5243814680282366,0.422606401206223,0.5025615105201837,0.44975926941265165
EOS-2-11179,FC(F)c1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)nn5)nn4)n23)cn1,IAXZKWLHVAFSQV-UHFFFAOYSA-N,2,1,0.546,36,185,456.804,2.727,5,0.379,0.64,0.996,0.1359142622164348,0.4303937358645741,0.39736824069631965,0.41481049962305533,0.34462168460009596
EOS-2-11180,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)nn2)cn1,VEHHTBKYXCZSQH-UHFFFAOYSA-N,2,1,0.409,53,44,456.804,2.862,5,0.355,0.66,0.922,0.3400897813720787,0.44373243780412586,0.4481015694606264,0.4116664382153382,0.4108975567130423
EOS-2-11181,FC(F)(F)c1c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nnc2ccccc12,ZSIHQVNASBNDCI-UHFFFAOYSA-N,2,1,0.541,43,372,456.815,4.986,5,0.379,0.77,0.998,0.9061493386334042,0.9646528682064286,0.9659207730792955,0.957653690631211,0.9485941676375848
EOS-2-11182,Fc1ccc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)cc4)n23)c1,VIXTVNNFAAAHHF-UHFFFAOYSA-N,2,1,0.523,13,15,456.815,5.635,5,0.342,0.7,1.0,0.85003598108423,0.9151960112398053,0.9818124186142142,0.9805616475909807,0.9319015146323075
EOS-2-11183,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)ccc1Cl,HTWFOLXHOBPPLV-UHFFFAOYSA-N,2,1,0.522,45,121,456.815,5.038,5,0.37,0.79,1.0,0.1577599204989377,0.6967479953395929,0.9821036940579809,0.9841340552395312,0.7051864162840107
EOS-2-11184,Fc1cc(OC(F)F)cc(-c2cc(-c3nnc4cncc(-c5cn[nH]c5)n34)ccc2Cl)c1,YDGNXAHPFBRRRP-UHFFFAOYSA-N,2,1,0.381,45,46,456.815,5.242,5,0.391,0.59,1.0,0.4398773216366253,0.807355561647591,0.9880834075800151,0.9912017682132822,0.8066295147693784
EOS-2-11185,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1ccc(F)c(F)c1,CJXIZXULADFBFP-UHFFFAOYSA-N,2,1,0.427,13,570,456.815,5.055,5,0.378,0.75,1.0,0.434934206017408,0.5861232951819615,0.9482900418065932,0.9617401137687616,0.732771914193681
EOS-2-11186,Cn1nc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cc2)cc1F,QOTIUPPCMTVQKK-UHFFFAOYSA-N,2,1,0.5,13,724,456.815,5.055,5,0.378,0.67,1.0,0.7269721060927969,0.815040093208142,0.9482986087314098,0.9454972243163594,0.858952008087177
EOS-2-11187,Fc1ccc(Cn2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)cc1Cl,RTIOYKYOQCANIO-UHFFFAOYSA-N,2,1,0.408,22,243,456.819,4.223,5,0.393,0.64,0.484,0.21062641354259476,0.4483243095058598,0.8865567815776849,0.9030738126242204,0.61214532931259
EOS-2-11188,Cn1nc(-c2cnc(C(F)(F)F)nc2)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,RIMLLCSUFIUDHK-UHFFFAOYSA-N,2,1,0.411,22,243,456.819,4.321,5,0.402,0.82,1.0,0.24902337057089988,0.510391679802618,0.8841323418545679,0.8314114865327942,0.61873971969022
EOS-2-11189,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,IJVDMEZKMKTYQX-UHFFFAOYSA-N,2,1,0.372,61,311,456.819,4.321,5,0.376,0.72,0.998,0.2752295935850867,0.542551915564389,0.909893084778288,0.9055667877458707,0.6583103454184086
EOS-2-11190,Cn1ncc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1-c1ncc(Cl)cc1F,FJITVADOUWBOIE-UHFFFAOYSA-N,2,1,0.369,50,243,456.819,4.379,5,0.399,0.74,0.994,0.24903193749571653,0.44833287643067643,0.8253718045370434,0.8373569323555616,0.5900233877047495
EOS-2-11191,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nn(F)cc4Cl)n23)ccc1F,DJAJRHNODLQFED-UHFFFAOYSA-N,2,1,0.5,26,125,456.844,3.535,5,0.388,0.69,1.0,0.6357257898704681,0.6721266534164896,0.6215732300733329,0.6698906860393393,0.6498290898499075
EOS-2-11192,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5Cl)n34)cn2)n1,FIQIWEHBWQVWEI-UHFFFAOYSA-N,2,1,0.306,42,321,456.853,4.52,6,0.376,0.73,0.999,0.36550784730313207,0.39821636625316975,0.42963127955589064,0.47158351038311286,0.41623475087382633
EOS-2-11193,Cc1coc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)cc2)n1,NFPVBZMHTLFUKV-UHFFFAOYSA-N,2,1,0.31,38,641,456.853,4.52,6,0.352,0.72,0.998,0.24904050442053322,0.3931961483106024,0.3339558632033445,0.3641457062572819,0.33508455554794053
EOS-2-11194,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ocnc5-c5cccc(Cl)c5)n34)cn2)n1,CQOMYFAFLYCDKX-UHFFFAOYSA-N,2,1,0.349,32,321,456.853,4.52,6,0.376,0.68,1.0,0.322724624768693,0.355270372147214,0.2675964635734357,0.36415427318209853,0.32743643341786033
EOS-2-11195,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)cc2)o1,GQEQSTUYNDVWIB-UHFFFAOYSA-N,2,1,0.314,38,303,456.853,4.52,6,0.352,0.67,1.0,0.2891594133369886,0.4437410047289425,0.38617983688575147,0.414819066547872,0.3834748303748886
EOS-2-11196,Cc1onc(-c2ccncc2)c1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3Cl)n12,YDTYWKYCLIKDLU-UHFFFAOYSA-N,2,1,0.312,42,693,456.853,4.52,6,0.376,0.66,0.994,0.25177335343705026,0.2964412994311562,0.37506853539853335,0.45586320334452746,0.34478659790281685
EOS-2-11197,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccon6)c(Cl)c5)n34)cc2)o1,CJMYAZZNQAUCER-UHFFFAOYSA-N,2,1,0.313,38,787,456.853,4.52,6,0.376,0.72,1.0,0.30759543554245766,0.37450311836063327,0.37507710232335,0.4179202933315057,0.36877398738948663
EOS-2-11198,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6Cl)o5)n34)cc2)no1,YSNUFMSSWUSKEC-UHFFFAOYSA-N,2,1,0.364,3,641,456.853,4.52,6,0.376,0.74,1.0,0.2702522102666027,0.40763141662668767,0.2637584812555685,0.3609416763758481,0.32564594613117676
EOS-2-11199,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ncn2)s1,FSPWRHDEUZEXDY-UHFFFAOYSA-N,2,1,0.33,31,395,456.854,2.57,5,0.363,0.6,0.283,0.49513398670413267,0.47012713316427934,0.04690391337125625,0.07679391405661024,0.27223973682406966
EOS-2-11200,Cn1nncc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4Cl)n23)cn1,UZALWXXZNOWOSJ-UHFFFAOYSA-N,2,1,0.278,86,72,456.857,3.352,6,0.392,0.63,0.851,0.11096737715029813,0.2141559865670619,0.29712665341648964,0.38329278322253446,0.251385700089096
EOS-2-11201,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cncc(Cl)c6)o5)n34)cn2)cn1,NFXQXKDYRRDEBJ-UHFFFAOYSA-N,2,1,0.292,70,719,456.857,3.352,6,0.392,0.7,0.971,0.10860290590089781,0.239993831814132,0.23891439928723185,0.29427386745253925,0.22044625111370023
EOS-2-11202,Cn1nnnc1-c1cc(Cl)cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,FFYBOTGKRHJIRZ-UHFFFAOYSA-N,2,1,0.325,25,508,456.857,3.352,6,0.392,0.66,1.0,0.20788499760126106,0.3012559111781235,0.282674251250771,0.38017442258926737,0.2929973956548557
EOS-2-11203,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(Cl)nn6)n5)n34)cc2)o1,XPZLMMLHOUSRRO-UHFFFAOYSA-N,2,1,0.311,98,303,456.857,3.446,6,0.392,0.63,1.0,0.05693578233157426,0.2244277294222466,0.17988828730039066,0.22602974436296347,0.17182038585429377
EOS-2-11204,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)nc1Cl,CBUHSEUPGKRJCH-UHFFFAOYSA-N,2,1,0.3,98,725,456.857,3.352,6,0.392,0.64,1.0,0.21583510383112878,0.31149338633404156,0.1606898087862381,0.2058717702693441,0.22347251730518813
EOS-2-11205,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5nc6ccccn6n5)nc4)n23)n1,ZZYKWZHMGFDQDP-UHFFFAOYSA-N,2,1,0.408,6,94,456.857,2.918,6,0.385,0.57,1.0,0.4517168117332602,0.619251593448016,0.1542217805496539,0.21192858611472826,0.3592796929614146
EOS-2-11206,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(Cl)cc6)n5)n34)cc2)no1,YQEZOARDLCIATI-UHFFFAOYSA-N,2,1,0.358,3,973,456.857,3.446,6,0.392,0.73,1.0,0.11392296621204852,0.2550459187170173,0.13299294085395105,0.22603831128778012,0.18200003426769923
EOS-2-11207,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6Cl)o5)n34)nc2)n[nH]1,BSATZFIFSGGSAH-UHFFFAOYSA-N,2,1,0.31,10,541,456.857,3.65,6,0.421,0.66,0.504,0.17674422589267358,0.3697484750873826,0.12714173120416694,0.2119371530395449,0.221392896305942
EOS-2-11208,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5Cl)n34)cn2)n1,YNCRYJIJISJEDE-UHFFFAOYSA-N,2,1,0.303,42,219,456.857,3.352,6,0.392,0.73,1.0,0.20508361318621068,0.27558083750257006,0.2604516482763347,0.3447159207730793,0.2714580049345487
EOS-2-11209,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4nnc(Cl)o4)nn3)n12,GGSBWLVNNUJXRN-UHFFFAOYSA-N,2,1,0.308,76,541,456.857,3.352,6,0.392,0.5,0.124,0.1167757521759989,0.20927283942156125,0.06992324035364265,0.13890411897745186,0.13371898773216367
EOS-2-11210,Cn1nnc(-c2cc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)ccc2Cl)n1,GBQLMMNZVCNERB-UHFFFAOYSA-N,2,1,0.295,98,154,456.861,2.482,6,0.423,0.67,1.0,0.20509218011102734,0.38865567815776847,0.1244945514358166,0.1969621684600096,0.2288011445411555
EOS-2-11211,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)nn5)n4)n23)cc1,VFPQIXRCRBSTKM-UHFFFAOYSA-N,2,1,0.31,8,973,456.861,2.278,6,0.392,0.64,1.0,0.04418819820437256,0.1539048043314372,0.04691248029607292,0.09113494619971216,0.0840351072578987
EOS-2-11212,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)nn1,PZFNMKOZOXKEGR-UHFFFAOYSA-N,2,1,0.294,99,968,456.861,2.482,6,0.423,0.68,1.0,0.15505277225687067,0.22443629634706325,0.15133472688643684,0.2058803371941608,0.18417603317113287
EOS-2-11213,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)cs5)n34)cc2F)cn1,KBQRTNGHBFLORQ-UHFFFAOYSA-N,2,1,0.562,97,31,456.865,4.82,5,0.353,0.69,1.0,0.7146100335823453,0.860119251593448,0.8236498526488931,0.857283599479131,0.8139156843259543
EOS-2-11214,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)ccc1-c1csnn1,KCYMCJPUTXCRTF-UHFFFAOYSA-N,2,1,0.603,34,146,456.865,4.82,5,0.377,0.75,1.0,0.7713659104927695,0.9023541909396203,0.9089678568980879,0.9313617983688575,0.8785124391748339
EOS-2-11215,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3csc(-c4cccnc4F)n3)n12,LUMIBILZWBMZIC-UHFFFAOYSA-N,2,1,0.553,34,436,456.865,4.82,5,0.353,0.74,1.0,0.745022616681516,0.9091391953944212,0.7536152422726338,0.8087691042423412,0.8041365396477281
EOS-2-11216,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3ccnc(-c4cncs4)c3)n12,HZWIPLPHQIZMTO-UHFFFAOYSA-N,2,1,0.524,59,577,456.865,4.82,5,0.353,0.74,1.0,0.8360461928586115,0.8187924062778426,0.8958947296278528,0.9008464121718868,0.8628949352340484
EOS-2-11217,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)s2)nc1,FDPIKMCRCWZHHA-UHFFFAOYSA-N,2,1,0.517,34,10,456.865,4.82,5,0.377,0.72,1.0,0.7510794325269001,0.9091477623192379,0.757864436981701,0.8294239599753273,0.8118788979507916
EOS-2-11218,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnc(Cl)s5)c4)n23)c1F,QBOMMXZBIFCMSJ-UHFFFAOYSA-N,2,1,0.512,59,577,456.865,4.82,5,0.377,0.66,1.0,0.8287129052155439,0.8371598930847783,0.8685062709889658,0.8747429922555,0.852280515386197
EOS-2-11219,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nc2F)c1,IZGMREHUBTYCDM-UHFFFAOYSA-N,2,1,0.44,46,223,456.865,4.82,5,0.353,0.59,1.0,0.7941367966554725,0.7910784044959221,0.8310174079912275,0.8606161332328147,0.8192121855938592
EOS-2-11220,Fc1cnc(F)c(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)c1,VLJVTANIXGFXAV-UHFFFAOYSA-N,2,1,0.512,97,89,456.865,4.82,5,0.353,0.64,1.0,0.8857943252690015,0.8406380645603454,0.8740062367212665,0.8913799602494689,0.8729546467000207
EOS-2-11221,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,POXAURSJWLVZBG-UHFFFAOYSA-N,2,1,0.562,43,178,456.865,4.82,5,0.353,0.74,1.0,0.8052823658419573,0.8507898704680967,0.9135939962990884,0.923043314371873,0.8731773867452539
EOS-2-11222,Fc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cc5)s4)n23)cc1F,QWUUMFDYVMXPDU-UHFFFAOYSA-N,2,1,0.582,34,372,456.865,4.82,5,0.377,0.75,1.0,0.8858028921938181,0.9576108560071277,0.7625676787060517,0.8538739634020972,0.8649638475772737
EOS-2-11223,Fc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cc1,LKGNTZSUICIKJO-UHFFFAOYSA-N,2,1,0.556,34,929,456.865,4.82,5,0.377,0.7,1.0,0.7685730930025358,0.9262045096292235,0.710309437324378,0.8294325269001439,0.8086298917140704
EOS-2-11224,Fc1scc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)c1F,BFIAPQGGGIUTOW-UHFFFAOYSA-N,2,1,0.5,55,525,456.865,4.82,5,0.353,0.73,1.0,0.8431139058323625,0.847637242135563,0.8887327804811185,0.8845606880954012,0.8660111541361113
EOS-2-11225,Fc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1Cl,RZHVCJSVBWQKLC-UHFFFAOYSA-N,2,1,0.531,24,912,456.865,4.82,5,0.353,0.64,1.0,0.8431224727571791,0.8033890754574737,0.8899150161058187,0.898284901651703,0.8586778664930437
EOS-2-11226,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5F)n34)cn2)s1,ZPQDGITVKYQUJN-UHFFFAOYSA-N,2,1,0.466,13,995,456.865,5.342,5,0.339,0.7,1.0,0.7114402714001782,0.840646631485162,0.8598451099993146,0.8538825303269139,0.8164536358028922
EOS-2-11227,Fc1cccc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1F,BWCOADXRHCRDPU-UHFFFAOYSA-N,2,1,0.582,34,929,456.865,4.82,5,0.377,0.73,1.0,0.8635888561441984,0.9399544239599753,0.7155095606880953,0.8294410938249606,0.8371234836543073
EOS-2-11228,Fc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)cs1,DZVBWRLAWWBVRQ-UHFFFAOYSA-N,2,1,0.689,59,294,456.865,4.82,5,0.377,0.75,1.0,0.9285604139538072,0.8688489479816325,0.8740148036460832,0.8803457610856007,0.8879424816667809
EOS-2-11229,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cncs5)c(Cl)cn4)n23)cc1F,JEHMDNUCPHFKHH-UHFFFAOYSA-N,2,1,0.561,59,71,456.865,4.82,5,0.377,0.68,1.0,0.8477314783085463,0.9262130765540402,0.8973168391474197,0.9100301555753547,0.8953228873963403
EOS-2-11230,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)c(F)cc1Cl,GONYDLMZYJXBNQ-UHFFFAOYSA-N,2,1,0.585,59,71,456.865,4.82,5,0.353,0.66,1.0,0.7177283942156124,0.8877561510520183,0.8865653485025016,0.8913885271742855,0.8458596052361045
EOS-2-11231,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)cnc1F,PJSQFWNKVNMXRU-UHFFFAOYSA-N,2,1,0.494,55,390,456.865,4.82,5,0.353,0.72,0.999,0.7771400178192036,0.8904547323692688,0.8613785895414982,0.8671698307175656,0.849035792611884
EOS-2-11232,Fc1cnc(COc2cncc3nnc(-c4csc(-c5ccc(Cl)cn5)c4)n23)c(F)c1,FKKDSAPBMGKFBU-UHFFFAOYSA-N,2,1,0.477,73,526,456.865,4.82,5,0.377,0.67,1.0,0.5990850524295799,0.6001987526557467,0.7984545267630732,0.8413833870193955,0.7097804297169489
EOS-2-11233,Fc1cc(-c2nnc3cncc(OCc4cnc(F)c(Cl)c4)n23)ccc1-c1cncs1,LJHOZSGMJQOFJN-UHFFFAOYSA-N,2,1,0.543,97,89,456.865,4.82,5,0.353,0.72,1.0,0.9165067507367556,0.8823418545678843,0.9089764238229046,0.9100387225001714,0.904465937906929
EOS-2-11234,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)c2)cc1F,ZQMMTNIFYLXXGY-UHFFFAOYSA-N,2,1,0.477,59,153,456.865,4.82,5,0.377,0.71,1.0,0.65055513672812,0.6721352203413062,0.8310259749160441,0.8747515591803167,0.7571169727914467
EOS-2-11235,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cc1,LKEBQQVGMTUFJE-UHFFFAOYSA-N,2,1,0.68,1,951,456.868,5.096,5,0.365,0.81,1.0,0.969647385374546,0.9684908505242958,0.9628024124460284,0.9641816873415119,0.9662805839215955
EOS-2-11236,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)cn1,FNYJZVBCEOIEPO-UHFFFAOYSA-N,2,1,0.716,57,326,456.868,5.096,5,0.365,0.81,1.0,0.9823264341032143,0.9751816188061133,0.9646357343567953,0.9624597354533616,0.9711508806798711
EOS-2-11237,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(Cl)c5)c4)n23)cc1,AASQJCDLWSWCJW-UHFFFAOYSA-N,2,1,0.58,1,230,456.868,5.096,5,0.342,0.74,1.0,0.9848708107737647,0.972457336714413,0.9679340004112124,0.9687478582687958,0.9735025015420464
EOS-2-11238,N#Cc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)ccc1F,BLODCNQYNSKXJZ-UHFFFAOYSA-N,2,1,0.535,57,709,456.868,5.096,5,0.365,0.72,1.0,0.9442635871427593,0.913062846960455,0.9559574395175108,0.9557089986978274,0.9422482180796382
EOS-2-11239,N#Cc1cc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nc5)c4)n23)ccc1Cl,MOZFIYDIFBHAMC-UHFFFAOYSA-N,2,1,0.554,1,326,456.868,5.096,5,0.342,0.71,1.0,0.9675656226440956,0.9736652731135631,0.9654838599136454,0.965235419093962,0.9679875436913166
EOS-2-11240,N#Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)ccc1F,HARTWVYRXYUQFI-UHFFFAOYSA-N,2,1,0.524,57,560,456.868,5.096,5,0.365,0.81,1.0,0.9045901583167706,0.8823504214927009,0.9571225412925776,0.9624683023781784,0.9266328558700568
EOS-2-11241,N#Cc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)c1,OSIPSCCNJPKHBD-UHFFFAOYSA-N,2,1,0.553,57,461,456.868,5.096,5,0.365,0.77,1.0,0.9422160921115756,0.9786769241313138,0.9284833116304572,0.9415050373517923,0.9477203413062847
EOS-2-11242,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(Cl)cc5-n5cccc5)n34)cc2)n[nH]1,FDMWUVDTEIKYQX-UHFFFAOYSA-N,2,1,0.31,3,558,456.872,4.827,6,0.384,0.69,1.0,0.12469159070659996,0.34573538482626276,0.8180899184428757,0.8555188129668974,0.5360089267356589
EOS-2-11243,Fc1cc(-c2cc(Cl)[nH]n2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,ZZUUBFSIMKRPAR-UHFFFAOYSA-N,2,1,0.314,3,668,456.872,4.827,6,0.41,0.72,1.0,0.04269755328627236,0.3115019532588582,0.7984630936878898,0.8538910972517305,0.5016384243711878
EOS-2-11244,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc6c(c5)OCO6)n34)cc2)cc1,HKAMAOHYAFXSKE-UHFFFAOYSA-N,2,1,0.636,79,23,456.889,5.419,6,0.351,0.88,1.0,0.9826091426221644,0.9475018847234596,0.9339918442875745,0.9209101500925228,0.9462532554314302
EOS-2-11245,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)o1,MVSKQSYCNDWEDU-UHFFFAOYSA-N,2,1,0.529,37,639,456.89,4.625,5,0.368,0.76,1.0,0.9233088890411898,0.8798660132958673,0.47970495510931394,0.5192755808375026,0.7005388595709684
EOS-2-11246,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)no1,KYSUVZUWCFKYDP-UHFFFAOYSA-N,2,1,0.517,37,563,456.89,4.625,5,0.368,0.78,1.0,0.8858114591186348,0.879874580220684,0.4587588239325612,0.5025700774450004,0.68175373517922
EOS-2-11247,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)s2)o1,IERQWOPABBWLOJ-UHFFFAOYSA-N,2,1,0.598,19,308,456.89,4.625,5,0.368,0.69,0.989,0.7209923925707628,0.5566787745870743,0.47592694126516344,0.5257264752244535,0.5698311459118635
EOS-2-11248,COc1cc(-c2nnc3cncc(OCc4ccc(-n5ccc(C#N)c5)cc4)n23)ccc1Cl,HMRDNCARBFLGMR-UHFFFAOYSA-N,2,1,0.529,43,230,456.893,4.695,5,0.368,0.72,1.0,0.805290932766774,0.8538653964772805,0.9340004112123912,0.9019429785484202,0.8737749297512165
EOS-2-11249,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)nc1F,RDCQUEKTJYIMPI-UHFFFAOYSA-N,2,1,0.432,31,237,456.894,3.457,5,0.361,0.57,0.999,0.6691453635802892,0.6424936604756357,0.2139932149955452,0.28819991775752174,0.4534580392022479
EOS-2-11250,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)ccc1F,GZJFINFDPXFUMX-UHFFFAOYSA-N,2,1,0.524,37,353,456.894,3.457,5,0.386,0.68,1.0,0.5411212391200055,0.7112946336782948,0.1669693646768556,0.2764375299842369,0.42395569186484816
EOS-2-11251,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cnsc4Cl)n23)cc1F,TWWKVOITPHPXHO-UHFFFAOYSA-N,2,1,0.571,37,79,456.894,3.457,5,0.386,0.5,1.0,0.5103488451785347,0.6002073195805634,0.35985367692413134,0.4465509560688095,0.4792401994380098
EOS-2-11252,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cnsc5Cl)n34)ncc2F)cn1,MIOGUIJASMACED-UHFFFAOYSA-N,2,1,0.438,65,711,456.894,3.457,5,0.386,0.55,1.0,0.44433212254129256,0.43040230278939073,0.3672812007401823,0.42433692001918993,0.41658813652251386
EOS-2-11253,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)cc1F,INWDVAYQHFBQFL-UHFFFAOYSA-N,2,1,0.517,37,563,456.894,3.457,5,0.386,0.69,1.0,0.5204149818381194,0.5954526763073127,0.24247824001096566,0.34800561990267975,0.4265878795147694
EOS-2-11254,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)nc1F,PLEBBZKKEIHUFF-UHFFFAOYSA-N,2,1,0.432,31,814,456.894,3.457,5,0.361,0.55,0.798,0.6536477965869372,0.5755345761085601,0.20352443286957714,0.27332773627578644,0.4265086354602152
EOS-2-11255,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)cc2F)cn1,SJHWFHDPNKGODT-UHFFFAOYSA-N,2,1,0.529,37,847,456.894,3.457,5,0.386,0.59,1.0,0.4630080186416284,0.6575286135288877,0.26046021520115137,0.36751250771023236,0.437127338770475
EOS-2-11256,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1ccc(F)nn1,HCQVICHLBMTBPW-UHFFFAOYSA-N,2,1,0.426,53,477,456.894,3.457,5,0.386,0.56,0.973,0.5411298060448222,0.4614831060242615,0.21724864642587896,0.2974179288602563,0.3793198718388047
EOS-2-11257,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1cnns1,WDGHPAHYFLYIMP-UHFFFAOYSA-N,2,1,0.617,95,381,456.894,3.457,5,0.386,0.57,1.0,0.40553252004660406,0.3745116852854499,0.3861884038105682,0.47758035775478036,0.4109532417243506
EOS-2-11258,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nnc(Cl)s4)n23)cc1F,YFDAUOFVXISNHQ-UHFFFAOYSA-N,2,1,0.511,37,563,456.894,3.457,5,0.386,0.76,1.0,0.6161932012884654,0.5954612432321293,0.23172674936604756,0.3162651634569255,0.439911589335892
EOS-2-11259,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnsc5Cl)n34)cc2F)n1,YANFUBJSBSHSKA-UHFFFAOYSA-N,2,1,0.578,37,619,456.894,3.457,5,0.386,0.57,1.0,0.5847268864368447,0.6770269344116236,0.28981049962305533,0.3609502433006648,0.47812864094304713
EOS-2-11260,Cn1ncc(-c2nnc3cncc(OCCc4scnc4Cl)n23)c1-c1ccc(F)cn1,ZXZMVQKAHLZILB-UHFFFAOYSA-N,2,1,0.512,65,981,456.894,3.457,5,0.386,0.6,1.0,0.5874854362278117,0.5474436296347063,0.16393667329175518,0.2678277705434857,0.3916733774244397
EOS-2-11261,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5Cl)n34)nn2C)s1,OWLBHJYUGBWKBC-UHFFFAOYSA-N,2,1,0.429,95,998,456.894,3.723,5,0.397,0.68,0.999,0.35864574052498116,0.3886642450825852,0.23527345624014803,0.3414176547186622,0.33100027414159416
EOS-2-11262,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccc(C#N)cc1,RTVSZAVGJOXYIK-UHFFFAOYSA-N,2,1,0.511,95,266,456.897,3.733,5,0.383,0.72,0.957,0.604936262079364,0.5908608046055788,0.5552566650675074,0.6088170790213145,0.5899677026934411
EOS-2-11263,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c2cccn2n1,CRMNDSULEMCOKO-UHFFFAOYSA-N,2,1,0.557,43,32,456.897,4.072,6,0.388,0.75,0.848,0.7450311836063327,0.7480638749914331,0.5683212254129257,0.6178037831539991,0.6698050167911727
EOS-2-11264,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccnc(C#N)c4)n23)ccc1Cl,LEIRYGSCBUPBNW-UHFFFAOYSA-N,2,1,0.575,15,545,456.897,3.733,5,0.383,0.69,1.0,0.7685816599273525,0.8338273593310945,0.7002861352888767,0.6727606058529231,0.7438639401000617
EOS-2-11265,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccc(C#N)cc5)n34)nc2)cnc1Cl,JJNGVOHWLBPPJC-UHFFFAOYSA-N,2,1,0.54,49,54,456.897,3.733,5,0.383,0.68,1.0,0.845264203961346,0.7066342265780275,0.6511976560893702,0.6292491947090673,0.7080863203344527
EOS-2-11266,Cn1c(C#N)ccc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cn1,SLINZWCBYLKMTR-UHFFFAOYSA-N,2,1,0.459,58,954,456.897,3.733,5,0.358,0.72,1.0,0.7798985676101706,0.7867178397642383,0.5616133232814748,0.5491313138235899,0.6693402611198683
EOS-2-11267,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c2cccn2n1,PMLXLTWXKQCOFG-UHFFFAOYSA-N,2,1,0.57,43,32,456.897,4.072,6,0.388,0.7,1.0,0.714618600507162,0.7568878075526009,0.5348759509286547,0.5906037968610788,0.649246538962374
EOS-2-11268,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)c(C#N)c5)n(C)n4)n23)ccn1,HOKOUMNYKGKZPA-UHFFFAOYSA-N,2,1,0.426,95,965,456.897,3.999,5,0.393,0.68,0.995,0.3950723048454527,0.4656209307107121,0.692387430607909,0.6554811184977041,0.5521404461654444
EOS-2-11269,Cc1nn(C)cc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)c1,ZVZMYBXVQZWZKN-UHFFFAOYSA-N,2,1,0.506,16,256,456.897,3.999,5,0.393,0.7,1.0,0.5103574121033514,0.672143787266123,0.7578730039065177,0.7016140086354602,0.6604970529778631
EOS-2-11270,Clc1cccc(-c2nscc2-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)c1,FATUSNRNXMACJN-UHFFFAOYSA-N,2,1,0.387,32,20,456.918,5.89,6,0.329,0.66,1.0,0.21325645946131178,0.30126447810294016,0.6731718182441231,0.7865722020423549,0.49356623946268247
EOS-2-11271,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)s1,ORGTUXMXQHTHKO-UHFFFAOYSA-N,2,1,0.412,93,651,456.918,5.89,6,0.329,0.79,0.997,0.3448958261942293,0.487697895963265,0.555265231992324,0.6988126242204098,0.521667894592557
EOS-2-11272,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)s2)c1,UBRKQFNLMMNDBX-UHFFFAOYSA-N,2,1,0.385,3,641,456.918,5.89,6,0.329,0.66,1.0,0.10610993077924748,0.33564354739222807,0.5907151668836954,0.7259526420396134,0.4396053217736961
EOS-2-11273,Clc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)o1,IERHVQJGIXTAIV-UHFFFAOYSA-N,2,1,0.364,3,641,456.918,5.89,6,0.329,0.74,1.0,0.305188129668974,0.48770646288808167,0.6035655541086972,0.7313926392981975,0.5319631964909876
EOS-2-11274,Clc1cc(-c2nccs2)ccc1-c1cncc2nnc(-c3ccc(-c4cocn4)cc3)n12,MNHMWVIHYKNJME-UHFFFAOYSA-N,2,1,0.382,69,484,456.918,5.89,6,0.329,0.68,1.0,0.2595606880954013,0.435216914536358,0.767485093550819,0.8023953121787403,0.5661645020903296
EOS-2-11275,Clc1cc(-c2ccsc2)cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,PVJNBBRDYRPDQQ-UHFFFAOYSA-N,2,1,0.333,9,38,456.918,5.89,6,0.329,0.69,1.0,0.262225001713385,0.40303954492495375,0.8107737646494414,0.85047289424988,0.5816278013844149
EOS-2-11276,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)o2)cc1,OLYRPWUBASBFIY-UHFFFAOYSA-N,2,1,0.397,3,641,456.918,5.89,6,0.329,0.79,1.0,0.2863237612226715,0.5520783359605236,0.6361798368857515,0.7524073058734837,0.5567473099856076
EOS-2-11277,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)n2)cc1,CWVNCDJAOOSJJE-UHFFFAOYSA-N,2,1,0.359,3,158,456.922,4.816,6,0.378,0.71,1.0,0.041309711465972176,0.22444486327187993,0.44461483106024263,0.6263964087451168,0.3341914536358029
EOS-2-11278,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)cn2)n1,LPYYARHBCAYPCA-UHFFFAOYSA-N,2,1,0.34,42,150,456.922,4.816,6,0.353,0.66,1.0,0.022445343019669658,0.1865019532588582,0.5651086286066753,0.6292577616338839,0.3508284216297718
EOS-2-11279,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncs6)nc5)n34)cn2)c1,IQXHBQQASNOWAH-UHFFFAOYSA-N,2,1,0.33,42,673,456.922,4.816,6,0.378,0.73,0.919,0.014923583030635323,0.1820557192790076,0.5811287780138441,0.6670207662257556,0.36128221163731067
EOS-2-11280,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)n2)c1,SXQOFIATUXPUCY-UHFFFAOYSA-N,2,1,0.329,3,158,456.922,4.816,6,0.378,0.65,1.0,0.03981906654787198,0.2343225275854979,0.38257316153793436,0.571927900760743,0.3071606641080118
EOS-2-11281,Clc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,PPMCRTPMKZWABQ-UHFFFAOYSA-N,2,1,0.325,9,340,456.922,5.02,6,0.4,0.66,1.0,0.1217788362689329,0.3356521143170448,0.697647522445343,0.7702607771914194,0.48133481255568505
EOS-2-11282,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)n1,XAVALEKVPQVCPE-UHFFFAOYSA-N,2,1,0.317,3,150,456.922,4.816,6,0.353,0.73,1.0,0.025623672126653417,0.16922246590363924,0.49673600164484955,0.562255842642725,0.31345949557946684
EOS-2-11283,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)nn2)cc1,XGNIJJOEEVRBPS-UHFFFAOYSA-N,2,1,0.333,10,37,456.922,4.816,6,0.378,0.75,0.999,0.022453909944486327,0.20438112535124392,0.49331779864299913,0.6208450414639161,0.3352494688506613
EOS-2-11284,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)n2)c1,YLWFVIFBAXAWPO-UHFFFAOYSA-N,2,1,0.307,10,871,456.922,4.816,6,0.378,0.67,0.381,0.008892467959701186,0.13494619971215133,0.4409995887876088,0.5906123637858954,0.2938626550613392
EOS-2-11285,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)n2)cc1,NXVXKABEBIANLR-UHFFFAOYSA-N,2,1,0.298,30,158,456.922,4.816,6,0.378,0.71,1.0,0.01762216434788568,0.1085001028030978,0.2971352203413063,0.5127218833527517,0.23399484271126036
EOS-2-11286,Clc1ccc(-c2nnc3cncc(-c4cncnc4-n4ccc(-c5cccs5)n4)n23)cc1,USSHQCWPMOMROS-UHFFFAOYSA-N,2,1,0.373,10,693,456.922,4.816,6,0.378,0.67,0.981,0.08638030292646151,0.35527893907203073,0.4372387087930916,0.5750890960180933,0.3634967617024193
EOS-2-11287,Clc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cs2)cc1,KPBXNRYAZJEBGV-UHFFFAOYSA-N,2,1,0.387,9,834,456.922,5.02,6,0.4,0.78,1.0,0.1739942430265232,0.44374957165375917,0.5348845178534714,0.6292663285587006,0.4454736652731136
EOS-2-11288,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cn5)n34)cn2)c1,OAQWGUWVODXFIN-UHFFFAOYSA-N,2,1,0.33,10,673,456.922,4.816,6,0.378,0.74,0.792,0.0036066753478171476,0.1209564114865328,0.49674456856966626,0.5995048317455967,0.3052031217874032
EOS-2-11289,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nn2)c1,WFCLHJIIGVEDGM-UHFFFAOYSA-N,2,1,0.326,3,783,456.922,4.816,6,0.378,0.71,1.0,0.020397847988486054,0.1692310328284559,0.5581865533548077,0.6727691727777397,0.35514615173737235
EOS-2-11290,CCOc1cncc2nnc(-c3ccc(OCc4cccc(-c5ccc(Cl)cc5)c4)cc3)n12,BRWIRMSALITWLI-UHFFFAOYSA-N,2,1,0.593,79,23,456.933,6.089,5,0.296,0.86,1.0,0.945145980398876,0.9692019052840792,0.9213384963333562,0.9088050853265712,0.9361228668357207
EOS-2-11291,COc1ccccc1-c1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,GIOISYHDKVFRFD-UHFFFAOYSA-N,2,1,0.718,79,650,456.933,5.742,5,0.312,0.8,1.0,0.9732283599479131,0.9834572681790145,0.8959032965526694,0.8789407854156672,0.932882427523816
EOS-2-11292,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCc3ccc(Cl)s3)n12,SPGBUPLYPNTKQI-UHFFFAOYSA-N,2,1,0.489,4,710,456.94,4.612,5,0.368,0.55,1.0,0.5438540881365225,0.6331899801247344,0.3227074909190597,0.2942824343773559,0.4485084983894181
EOS-2-11293,COc1cc(-c2nnc3cncc(OCc4nnc(-c5ccsc5)s4)n23)ccc1Cl,YFVLQTDPYXGPJM-UHFFFAOYSA-N,2,1,0.489,4,67,456.94,4.612,5,0.368,0.68,1.0,0.5619902679734082,0.7295764512370639,0.3078353094373244,0.33832499485984513,0.48443175587691045
EOS-2-11294,COc1cc(-c2nnc3cncc(OCc4ncc(-c5ccns5)s4)n23)ccc1Cl,QLRDHLMJIPGGMU-UHFFFAOYSA-N,2,1,0.561,4,67,456.94,4.612,5,0.368,0.65,1.0,0.5678843122472758,0.6770355013364403,0.38619697073538484,0.3864539784798849,0.5043926906997465
EOS-2-11295,COc1nc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)ccc1-c1cscn1,OZZWBYWQVJUGMQ-UHFFFAOYSA-N,2,1,0.413,49,501,456.94,4.612,5,0.368,0.61,1.0,0.5963693372626961,0.5380371461860051,0.3636830923171818,0.3222791446782263,0.45509218011102737
EOS-2-11296,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1csnn1,SLFZJBGBTVPUJC-UHFFFAOYSA-N,2,1,0.489,72,224,456.94,4.612,5,0.368,0.67,1.0,0.5128589541498184,0.6097166061270646,0.5108371598930848,0.47159207730792957,0.5262511993694743
EOS-2-11297,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cncs5)s4)n23)ccc1Cl,DWTOQUABDYUWNG-UHFFFAOYSA-N,2,1,0.512,16,67,456.94,4.612,5,0.368,0.71,1.0,0.7771485847440203,0.7910869714207388,0.3898721814817353,0.3771845658282503,0.5838230758686862
EOS-2-11298,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(CCc4ccc(Cl)nc4)n23)ccn1,JDGBMNCZBATTOH-UHFFFAOYSA-N,2,1,0.34,85,580,456.941,4.348,5,0.35,0.56,1.0,0.2973408265369063,0.31151052018367487,0.22429922554999657,0.24381468028236583,0.2692413131382359
EOS-2-11299,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)s1,KGGTYFOFZXMAGQ-UHFFFAOYSA-N,2,1,0.402,31,194,456.944,3.745,5,0.38,0.65,0.331,0.564937290110342,0.5288962374066205,0.050339250222740044,0.08727983003221164,0.3078631519429786
EOS-2-11300,N=c1[nH]nc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)s1,MRNXSMZFDPYSRF-UHFFFAOYSA-N,2,1,0.423,18,954,456.944,3.454,5,0.404,0.67,0.999,0.5204235487629361,0.42588753341100677,0.13603419916386814,0.16423651566033856,0.31164544924953735
EOS-2-11301,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)ccn2)s1,WTJXTQXGYUPOGJ-UHFFFAOYSA-N,2,1,0.484,75,779,456.944,3.745,5,0.38,0.67,1.0,0.4903108080323487,0.6048163251319306,0.035098690973888014,0.0639777945308752,0.29855090466726064
EOS-2-11302,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)c2)s1,PQEIGVCOHINIPD-UHFFFAOYSA-N,2,1,0.517,72,628,456.944,3.745,5,0.38,0.61,1.0,0.5178363374683024,0.7113032006031115,0.024578507299019944,0.055033925022274006,0.32718799259817694
EOS-2-11303,Fc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)c1,XIOGOEKXIKSIRN-UHFFFAOYSA-N,2,1,0.608,35,352,456.955,5.995,5,0.314,0.55,1.0,0.7713744774175861,0.8303834555547941,0.869894112809266,0.9008549790967034,0.8431267562195874
EOS-2-11304,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccsc4)s3)n12,DCGKOVSYAAYNJC-UHFFFAOYSA-N,2,1,0.549,4,10,442.928,5.953,5,0.337,0.7,1.0,0.8261942293194435,0.9206959769721061,0.872575560276883,0.9008635460215201,0.8800823281474882
EOS-2-11305,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5nc(Cl)cs5)n34)c2)s1,XNSCOTRXCJUDQV-UHFFFAOYSA-N,2,1,0.471,92,875,442.917,3.702,5,0.405,0.63,1.0,0.37931773010760056,0.5289048043314372,0.06177609485299157,0.09114351312452881,0.26528553560413953
EOS-2-11306,Clc1snnc1CCOc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,ZZTQDWIKLNPTSD-UHFFFAOYSA-N,2,1,0.457,87,838,442.917,3.436,5,0.394,0.69,1.0,0.4443406894661092,0.5566873415118909,0.03644369817010486,0.0854293742718114,0.2807252758549791
EOS-2-11307,Clc1snnc1CCOc1cncc2nnc(-c3cc(-c4cncs4)ccn3)n12,GAVBHKDIXODQRP-UHFFFAOYSA-N,2,1,0.422,18,367,442.917,3.436,5,0.394,0.72,1.0,0.37932629703241727,0.4304108697142074,0.04352854499348914,0.10109827976149681,0.23859099787540264
EOS-2-11308,Clc1ncsc1CCOc1cncc2nnc(-c3cc(-c4cncs4)ncn3)n12,ZZODEFBJBVODCN-UHFFFAOYSA-N,2,1,0.449,18,194,442.917,3.436,5,0.394,0.58,0.997,0.5411383729696388,0.5755431430333767,0.0742238366116099,0.12792132136248371,0.3297066684942773
EOS-2-11309,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cs2)s1,JZAWMYJLQQHRJJ-UHFFFAOYSA-N,2,1,0.461,4,617,442.917,3.702,5,0.379,0.55,0.999,0.4055410869714207,0.6379360564731684,0.03645226509492153,0.06913508327050921,0.287266122952505
EOS-2-11310,Clc1snnc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)nc3)n12,AOBUBNYFUZQXSI-UHFFFAOYSA-N,2,1,0.506,87,779,442.917,3.436,5,0.394,0.65,1.0,0.48545336166129804,0.6575371804537044,0.0435371119183058,0.09696045507504626,0.32087202727708863
EOS-2-11311,Cc1nnc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)s1,KCHGQSNLUQRKFK-UHFFFAOYSA-N,2,1,0.422,53,785,442.917,3.702,5,0.405,0.59,0.958,0.3928020697690357,0.4614916729490782,0.08566068124186142,0.13651394695360153,0.26911709272839424
EOS-2-11312,Cc1nc(Cl)c(COc2cncc3nnc(-c4cnc(-c5nccs5)cn4)n23)s1,NYZLXCSHTNDYTO-UHFFFAOYSA-N,2,1,0.419,7,828,442.917,3.702,5,0.405,0.58,1.0,0.4878349667603317,0.5333767390857378,0.036460832019738196,0.05642176684257419,0.27852357617709544
EOS-2-11313,Clc1ncsc1CCOc1cncc2nnc(-c3cc(-c4cnsc4)ncn3)n12,FEHRIJJIILDWBF-UHFFFAOYSA-N,2,1,0.449,18,194,442.917,3.436,5,0.394,0.57,0.997,0.4630165855664451,0.4877150298128984,0.08806798711534508,0.14854190939620313,0.2968353779727229
EOS-2-11314,CC1CC1Oc1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(Cl)c1,NTYQKAXEVYPHIM-UHFFFAOYSA-N,2,1,0.355,96,246,442.91,5.085,6,0.379,0.59,0.999,0.07751353574121034,0.3647025563703653,0.8408436707559455,0.8572921664039477,0.5350879823178671
EOS-2-11315,Clc1ccc(CCCOc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,XRCKAKAHXRNUDY-UHFFFAOYSA-N,2,1,0.451,11,198,442.91,4.913,5,0.333,0.74,1.0,0.7567593036803509,0.7781937495716538,0.4900538002878487,0.5965406757590296,0.6553868823247208
EOS-2-11316,Cc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nc1,XJEQCFUCQSPXKC-UHFFFAOYSA-N,2,1,0.489,11,848,442.91,4.832,5,0.35,0.76,1.0,0.815502707148242,0.8228445617161264,0.6124751559180317,0.6178123500788157,0.717158693715304
EOS-2-11317,COc1cc(-c2nnc3cncc(-c4cnc(C)nc4-c4cccc(C)c4)n23)ccc1Cl,VYBXKIRWCJCZIT-UHFFFAOYSA-N,2,1,0.324,96,697,442.91,5.194,5,0.381,0.74,1.0,0.4655866630114454,0.5333853060105544,0.7235196353916798,0.6788259886231238,0.6003293982592008
EOS-2-11318,Cc1ccccc1CCOc1cncc2nnc(-c3cccc(-c4ccc(Cl)nn4)c3)n12,LIRRNDBIPPDIID-UHFFFAOYSA-N,2,1,0.575,91,613,442.91,4.832,5,0.374,0.75,1.0,0.9178945925570557,0.9170293331505722,0.6787060516756905,0.6788345555479405,0.7981161332328148
EOS-2-11319,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)cn1,KYBBATHPFYIXGW-UHFFFAOYSA-N,2,1,0.565,1,848,442.91,4.832,5,0.35,0.77,1.0,0.9332208210540744,0.9414536358028922,0.6731803851689397,0.6641679802618052,0.803005705571928
EOS-2-11320,CCOc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)n1,AJZBNEZDBOWQSA-UHFFFAOYSA-N,2,1,0.382,96,697,442.91,5.276,5,0.368,0.84,1.0,0.6357343567952848,0.7250274141594133,0.7414930436570488,0.7232283599479131,0.706370793639915
EOS-2-11321,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cn1,BEZGJLGWEJTJTR-UHFFFAOYSA-N,2,1,0.775,91,883,442.91,4.832,5,0.374,0.82,1.0,0.9654495922143788,0.9742735247755465,0.7625762456308683,0.7421441299431156,0.8611108731409772
EOS-2-11322,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)nn1,SBMPGRRJLIUONK-UHFFFAOYSA-N,2,1,0.743,91,660,442.91,4.832,5,0.374,0.79,1.0,0.9442721540675759,0.9729884860530464,0.7129480501679117,0.7128452470701118,0.8357634843396615
EOS-2-11323,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)ccn2)nc1,XDZLNPWBIFLTEZ-UHFFFAOYSA-N,2,1,0.707,11,56,442.91,4.832,5,0.374,0.8,1.0,0.8965800836131862,0.837168460009595,0.7002947022136934,0.6960712082790761,0.7825286135288877
EOS-2-11324,Cc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)c(C)n1,UZRVLTNKVZRNMG-UHFFFAOYSA-N,2,1,0.536,97,137,442.91,5.098,5,0.377,0.74,1.0,0.6962425467754095,0.7204612432321293,0.7440459872524159,0.7208039202247961,0.7203884243711878
EOS-2-11325,Cn1ccc(-c2ccc(-c3nnc4cncc(OC5CCc6ccccc65)n34)c(Cl)c2)n1,MCDMFVUAZIORPH-UHFFFAOYSA-N,2,1,0.489,91,309,442.91,4.912,6,0.395,0.56,1.0,0.5733500102803097,0.6868617641011583,0.7897076965252553,0.8066873415118909,0.7141517031046536
EOS-2-11326,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)nn1,SHEFFVBQHSEBKM-UHFFFAOYSA-N,2,1,0.712,91,660,442.91,4.832,5,0.374,0.78,1.0,0.9138510040435885,0.9605664450688781,0.6976560893701597,0.7100352957302447,0.8205272085532177
EOS-2-11327,Cc1cncc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)n1,GAVYYNKCIURSHF-UHFFFAOYSA-N,2,1,0.566,11,275,442.91,4.832,5,0.374,0.72,1.0,0.8182869577136591,0.8850404358851347,0.6155935165512988,0.6758703995613734,0.7486978274278665
EOS-2-11328,Cc1ccc(-c2ccncc2-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,HOTOUUMHRWSKIY-UHFFFAOYSA-N,2,1,0.506,11,848,442.91,4.832,5,0.35,0.7,0.999,0.7359159756013981,0.7739274210129532,0.6538534027825372,0.6758789664861902,0.7098939414707697
EOS-2-11329,COc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,MMBDMTXZEDWMEM-UHFFFAOYSA-N,2,1,0.58,79,23,442.906,5.699,5,0.337,0.85,1.0,0.9179031594818724,0.8931618806113357,0.9184171749708725,0.903082379549037,0.9081411486532793
EOS-2-11331,Clc1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccccc5)n34)cc2)cc1,KEEDRJBLIJBWAI-UHFFFAOYSA-N,2,1,0.764,79,590,442.906,5.859,5,0.316,0.85,1.0,0.9643016242889453,0.9762696182578302,0.8865739154273182,0.8913970940991022,0.929635563018299
EOS-2-11332,Clc1cccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,DHMSWQKAOIFCQM-UHFFFAOYSA-N,2,1,0.73,79,590,442.906,5.859,5,0.316,0.86,1.0,0.9799705297786306,0.9791052703721472,0.8830357754780344,0.8914056610239188,0.9333793091631828
EOS-2-11333,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc2)cc1,LCTCMRJAGXHCCB-UHFFFAOYSA-N,2,1,0.707,79,650,442.906,5.439,5,0.379,0.76,1.0,0.9751987526557467,0.9811698992529642,0.9060636693852375,0.9144249880063052,0.9442143273250634
EOS-2-11335,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)n12,XNAZGMPMRGFBIL-UHFFFAOYSA-N,2,1,0.76,79,590,442.906,5.859,5,0.316,0.84,1.0,0.9755328627235967,0.9747104379411966,0.8830443424028511,0.8927849359194023,0.9315181447467618
EOS-2-11337,COc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4C)n23)ccc1-c1ccccc1,ATRAKOYPYYZYFT-UHFFFAOYSA-N,2,1,0.483,79,480,442.906,6.221,5,0.323,0.8,1.0,0.8783753683777671,0.8440305667877459,0.9136025632239051,0.8873620725104516,0.8808426427249674
EOS-2-11338,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)cc1,XWNIBTMHWYOXJW-UHFFFAOYSA-N,2,1,0.76,79,650,442.906,5.439,5,0.379,0.75,1.0,0.9752073195805634,0.9786854910561305,0.9049499691590707,0.9144335549311219,0.9433190836817216
EOS-2-11339,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)c2)cn1,ABZUXAIRLQMXIM-UHFFFAOYSA-N,2,1,0.518,16,256,442.87,3.691,5,0.408,0.72,1.0,0.6188660818312659,0.7480724419162498,0.8310345418408608,0.7936313480912891,0.7479011034199164
EOS-2-11340,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(C#N)cc4Cl)n23)c1,WQCZDOUEVFGDKK-UHFFFAOYSA-N,2,1,0.413,46,211,442.87,3.691,5,0.408,0.73,1.0,0.5128675210746351,0.46562949763552874,0.7812435748063875,0.7627218833527517,0.6306156192173258
EOS-2-11341,Cc1cc(C#N)ccc1-c1nnc2cncc(OCc3ncn(-c4ccc(Cl)cc4)n3)n12,XKTVNQDZNKAFJL-UHFFFAOYSA-N,2,1,0.473,43,612,442.87,3.785,5,0.407,0.69,1.0,0.4055496538962374,0.5704372558426427,0.6035741210335138,0.6440785415667192,0.5559098930847783
EOS-2-11342,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)cc1Cl,BVKGKQSCUKKCTE-UHFFFAOYSA-N,2,1,0.583,16,214,442.87,3.691,5,0.408,0.72,0.999,0.7450397505311493,0.6967565622644095,0.7741758618326365,0.7314012062230142,0.7368433452128024
EOS-2-11343,Cn1nc(-c2nnc3cncc(OCc4cc(C#N)ccn4)n23)cc1-c1ccc(Cl)cc1,IAWCXIDCCRFQDC-UHFFFAOYSA-N,2,1,0.473,95,965,442.87,3.691,5,0.408,0.75,0.992,0.4328096086628744,0.5289133712562538,0.6271245973545336,0.6670293331505722,0.5639692276060585
EOS-2-11344,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)c1,KCTHADGLUFTBNV-UHFFFAOYSA-N,2,1,0.561,43,250,442.87,3.691,5,0.408,0.69,1.0,0.8182955246384758,0.8538739634020972,0.7235282023164965,0.7259612089644302,0.7804147248303749
EOS-2-11345,Cn1cc(Cl)nc1-c1ccc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)nc1,PIBKPLNSSAIALN-UHFFFAOYSA-N,2,1,0.536,89,731,442.87,3.691,5,0.408,0.68,1.0,0.7741844287574532,0.8073641285724077,0.6271331642793503,0.6178209170036324,0.7066256596532108
EOS-2-11346,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1nn[nH]n1,DGSKEYKAQQRMER-UHFFFAOYSA-N,2,1,0.511,37,6,442.867,3.447,5,0.429,0.72,1.0,0.9093191008155712,0.8850490028099514,0.44100815571242546,0.5293759851963539,0.6911880611335754
EOS-2-11347,Cn1cnnc1-c1cc(Cl)c(-c2nnc3cncc(OCc4nccs4)n23)cc1F,RKPQJGONDIHMNU-UHFFFAOYSA-N,2,1,0.653,36,404,442.867,3.415,5,0.411,0.67,1.0,0.4261788088547735,0.6097251730518813,0.33003221163731067,0.3990216571859365,0.4412394626824755
EOS-2-11348,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n(C)n2)s1,ADZZGQAGKKTGAM-UHFFFAOYSA-N,2,1,0.477,22,706,442.867,3.937,5,0.416,0.65,1.0,0.46302515249126175,0.686870331025975,0.22430779247481325,0.31627373038174217,0.4226192515934481
EOS-2-11349,Cc1nnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)nn2C)s1,BHBLHBFBDPTKFV-UHFFFAOYSA-N,2,1,0.407,95,956,442.867,3.937,5,0.416,0.62,0.999,0.29734939346172296,0.412420327599205,0.20706257281886095,0.3191350832705092,0.30899184428757454
EOS-2-11350,Cn1nncc1-c1cnc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c(F)c1,DQOCIGMCGIJPNS-UHFFFAOYSA-N,2,1,0.44,92,694,442.867,3.415,5,0.411,0.56,0.994,0.39925296415598654,0.4615002398738949,0.34094647385374544,0.41167500514015487,0.40334367075594546
EOS-2-11351,Cn1nc(-c2nnc3cncc(OCc4ccc(F)s4)n23)cc1-c1cnc(Cl)nc1,IUWOIZHMMQKOQP-UHFFFAOYSA-N,2,1,0.433,92,462,442.867,3.415,5,0.385,0.64,0.755,0.3793348639572339,0.42153553560413953,0.3523747515591803,0.380182989514084,0.3833570351586595
EOS-2-11352,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nc2F)n1,QIIIJGYORGMXHL-UHFFFAOYSA-N,2,1,0.429,46,223,442.867,3.415,5,0.385,0.54,0.687,0.4630337194160784,0.5380457131108217,0.26376704818038516,0.31318963744774175,0.3945090295387568
EOS-2-11353,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(F)cc4Cl)n23)sn1,XROZRLIZHYWPNI-UHFFFAOYSA-N,2,1,0.44,36,252,442.867,4.111,5,0.404,0.44,0.999,0.4606863820163114,0.6048248920567473,0.23892296621204853,0.3704852306216161,0.41872986772668086
EOS-2-11354,Fc1cnc(Cl)nc1CCOc1cncc2nnc(-c3cc(-c4ccsc4)n[nH]3)n12,NTYCBVVHHPTTET-UHFFFAOYSA-N,2,1,0.402,65,963,442.867,3.447,5,0.401,0.62,1.0,0.5259235144952368,0.41242889452402165,0.2637756151052018,0.34142622164347886,0.3858885614419848
EOS-2-11355,Cn1nc(-c2nccs2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,FBVMNTFGLLKQAD-UHFFFAOYSA-N,2,1,0.512,36,446,442.867,3.415,5,0.411,0.7,0.997,0.4828918511411144,0.7159464738537454,0.10515043519978069,0.2202727708861627,0.3810653827702008
EOS-2-11356,N#Cc1nc(-c2nnc3cncc(OCCc4ccoc4)n23)ccc1-c1ccc(Cl)cc1,IXSJDJDAHSKTJG-UHFFFAOYSA-N,2,1,0.5,11,384,442.866,4.593,5,0.378,0.65,1.0,0.8130697005003084,0.7948821191145227,0.7513193064217668,0.777337057089987,0.7841520457816462
EOS-2-11357,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(C#N)cc3)n12,CMOQADOITJNRHP-UHFFFAOYSA-N,2,1,0.608,43,230,442.866,4.859,5,0.383,0.79,1.0,0.9108525803577547,0.9070745665136043,0.7602546090055514,0.7890823110136386,0.8418160167226373
EOS-2-11358,Cc1nc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ccc2F)no1,YMQUWEIRXDYDMF-UHFFFAOYSA-N,2,1,0.542,16,772,442.863,4.583,5,0.393,0.8,1.0,0.8104310876567747,0.8033976423822905,0.587502570077445,0.6120382427523816,0.703342385717223
EOS-2-11359,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ncno5)cs4)n23)cc1Cl,CIHDRFXOWOQGFJ-UHFFFAOYSA-N,2,1,0.595,84,308,442.863,4.317,5,0.386,0.66,1.0,0.6564834487012542,0.49222123226646564,0.6538619697073539,0.6903570694263587,0.6232309300253581
EOS-2-11360,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cnoc1,UCZNLOSYETXWDU-UHFFFAOYSA-N,2,1,0.462,58,814,442.863,4.317,5,0.362,0.58,1.0,0.7239651154821465,0.662394626824755,0.5581951202796245,0.6120468096771983,0.6391504180659311
EOS-2-11361,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5sccc5F)n34)cc2Cl)n1,CMLVOPOKNMKNAQ-UHFFFAOYSA-N,2,1,0.518,73,526,442.863,4.583,5,0.393,0.77,1.0,0.7685902268521692,0.7480810088410664,0.544976355287506,0.5845469810156946,0.661548642999109
EOS-2-11362,Fc1ccc(-c2cscc2-c2cncc3nnc(-c4cc(F)c(Cl)cc4F)n23)cc1,HTLXSFAGQIVWBB-UHFFFAOYSA-N,2,1,0.38,45,102,442.853,6.258,5,0.31,0.69,1.0,0.4191796312795559,0.6236121581796998,0.9885288876704817,0.9960849153587829,0.7568513981221301
EOS-2-11363,N#Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)cc1,DRKUOHJLLMSXJR-UHFFFAOYSA-N,2,1,0.518,13,145,442.841,5.31,5,0.374,0.76,1.0,0.9061579055582208,0.9262216434788568,0.9591614693989445,0.9647471043794119,0.9390720307038585
EOS-2-11364,N#Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccn2)ccc1F,MFWUHOWEHXTGRS-UHFFFAOYSA-N,2,1,0.467,57,616,442.841,5.31,5,0.374,0.78,1.0,0.8262027962442602,0.8743317798642999,0.957627989856761,0.9636933726269619,0.9054639846480708
EOS-2-11365,N#Cc1ccc(-c2nnc3cncc(-c4ncccc4Oc4cccc(Cl)c4)n23)cc1F,SCNSYIDNIBGYSQ-UHFFFAOYSA-N,2,1,0.389,96,586,442.841,5.31,5,0.374,0.78,1.0,0.5678928791720924,0.7739359879377699,0.9388064560345418,0.9523935987937769,0.8082572304845452
EOS-2-11366,N#Cc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccccc1,JRFKVGXQDSTTPT-UHFFFAOYSA-N,2,1,0.402,57,616,442.841,5.31,5,0.374,0.75,1.0,0.7713830443424029,0.8303920224796107,0.9108183126584881,0.9313703652936742,0.860990936193544
EOS-2-11367,Clc1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,TVXVFIXEVQLGRH-UHFFFAOYSA-N,2,1,0.291,8,973,442.834,2.267,6,0.435,0.69,1.0,0.051778493591940235,0.16145226509492153,0.09489582619422932,0.18346926187375778,0.12289896168871221
EOS-2-11368,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(Cl)nn5)n4)n23)cc1,CZPREKUTAWPIBD-UHFFFAOYSA-N,2,1,0.495,7,408,442.83,2.537,5,0.398,0.7,1.0,0.7884997601261051,0.8538825303269139,0.3446131176752793,0.3899492838050853,0.5942361729833459
EOS-2-11369,Clc1cnc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)nc1,AJEZZMZYPOEAPO-UHFFFAOYSA-N,2,1,0.316,42,618,442.83,3.137,6,0.404,0.65,1.0,0.07555170995819341,0.19062264409567542,0.15746007813035434,0.24951168528544992,0.16828652936741828
EOS-2-11370,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnn5)c(Cl)n4)n23)cn1,AXXPTFNTFDBXCK-UHFFFAOYSA-N,2,1,0.467,53,62,442.83,2.537,5,0.372,0.55,0.887,0.6903656363511754,0.6331985470495511,0.42621307655404017,0.4369731341237749,0.5466875985196354
EOS-2-11371,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,AVIRLWHSKMZUTA-UHFFFAOYSA-N,2,1,0.313,3,973,442.83,3.137,6,0.404,0.69,1.0,0.13839867041326845,0.2805410869714207,0.157468645055171,0.2911812075937222,0.21689740250839556
EOS-2-11372,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cc1,VDKOGYFMVLXVQI-UHFFFAOYSA-N,2,1,0.354,3,973,442.83,3.137,6,0.404,0.71,1.0,0.08412720169967788,0.25505448564183403,0.20002056061956,0.32855013364402713,0.21693809540127473
EOS-2-11373,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cn2)n1,WRMPVSHSYWICHT-UHFFFAOYSA-N,2,1,0.318,86,664,442.83,3.137,6,0.378,0.72,0.964,0.05012507710232335,0.16146083201973818,0.2279915701459804,0.3005105887190734,0.18502201699677884
EOS-2-11374,N#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)cn1,UWFHDAOXHZVOLD-UHFFFAOYSA-N,2,1,0.385,51,113,442.83,2.537,5,0.398,0.65,0.921,0.6162017682132822,0.5755517099581934,0.3862055376602015,0.38995785072990197,0.4919792166403948
EOS-2-11375,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnco5)no4)n23)nc1,OQRHCPWYVVCPFY-UHFFFAOYSA-N,2,1,0.342,32,179,442.826,4.212,6,0.395,0.62,0.998,0.1712785278596395,0.2859639503803715,0.4111952573504215,0.5460043862655062,0.35361053046398466
EOS-2-11376,FC(F)(F)Oc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,DKSPXDVCFXMARH-UHFFFAOYSA-N,2,1,0.488,68,255,457.199,4.366,4,0.44,0.7,1.0,0.935473922280858,0.9427044068261257,0.9713607703378795,0.9630594201905284,0.9531496299088479
EOS-2-11377,Fc1cc(F)c(Cn2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1F,RAFDZFOHFCBIDC-UHFFFAOYSA-N,2,1,0.389,22,221,442.792,3.564,5,0.395,0.78,1.0,0.3862826399835515,0.6283411006785005,0.7415016105818656,0.8816993352066342,0.6594561716126379
EOS-2-11378,Fc1ccc(Cn2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)c(F)c1,YGZJIOGKXSZRRJ-UHFFFAOYSA-N,2,1,0.396,22,221,442.792,3.564,5,0.423,0.73,0.999,0.3227331916935097,0.547452196559523,0.7052892193818107,0.8719587416900829,0.6118583373312316
EOS-2-11379,Fc1ccc(Cl)cc1-c1nnc2cncc(-c3cnc(-c4cnn(C(F)F)c4)cn3)n12,HMAKAMWVUNYAKP-UHFFFAOYSA-N,2,1,0.329,50,845,442.792,4.299,5,0.412,0.74,1.0,0.2242392570762799,0.4483414433554931,0.902825371804537,0.9123260914262217,0.621933040915633
EOS-2-11380,Fc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)ccc1Cl,UJEIWLDOTZIJQY-UHFFFAOYSA-N,2,1,0.34,22,990,442.792,4.164,5,0.415,0.76,1.0,0.18555959152902474,0.5197724624768693,0.8841409087793846,0.9249880063052567,0.6286152422726339
EOS-2-11381,FC(F)(F)c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,HUZPMZMHLVLXND-UHFFFAOYSA-N,2,1,0.4,22,990,442.792,4.106,5,0.418,0.82,1.0,0.1686399150161058,0.5659053526146255,0.939448975395792,0.9423531629086424,0.6540868514837914
EOS-2-11382,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cn1,FMMADHPTSFXVNU-UHFFFAOYSA-N,2,1,0.468,22,243,442.792,4.106,5,0.418,0.72,0.987,0.0639777945308752,0.4076399835515043,0.9301024604208074,0.9066119525735042,0.5770830477691727
EOS-2-11383,Fc1cc(-c2noc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)ccc1Cl,DSAZDTJIRUWKQH-UHFFFAOYSA-N,2,1,0.386,45,316,442.788,5.238,5,0.378,0.81,1.0,0.46304228634089506,0.72503598108423,0.9540470152833939,0.9658008361318621,0.7769815297100953
EOS-2-11384,FC(F)(F)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cc5)o4)n23)cc1,HTFSBSCIXYXCDP-UHFFFAOYSA-N,2,1,0.403,96,574,442.788,5.181,5,0.383,0.8,1.0,0.4468165307381262,0.7696610924542526,0.9795164827633472,0.9760811459118635,0.7930188129668974
EOS-2-11385,FC(F)Oc1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)nn5)n4)n23)cc1,GLHSXECAUHBVHE-UHFFFAOYSA-N,2,1,0.494,22,542,442.777,2.479,5,0.404,0.73,1.0,0.10094407511479679,0.45253066959084365,0.352383318483997,0.4804931121924474,0.3465877938455212
EOS-2-11386,Fc1nc(-c2ccc(Cl)cc2F)cc(-c2nnc3cncc(OCc4nnco4)n23)n1,KHIGDPAEEYWQPY-UHFFFAOYSA-N,2,1,0.424,46,10,442.773,3.142,5,0.378,0.61,1.0,0.6357429237201014,0.6624031937495717,0.5002912754437667,0.5906209307107121,0.597264580906038
EOS-2-11387,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)no2)n1,JMKZVYMBGZHJGG-UHFFFAOYSA-N,2,1,0.518,73,756,442.773,3.142,5,0.404,0.74,1.0,0.733028921938181,0.8188009732026592,0.4335120964978411,0.5491398807484066,0.633620468096772
EOS-2-11388,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)nn5)n4)n23)c(F)c1,RLLSKRQGZYEXSX-UHFFFAOYSA-N,2,1,0.494,34,446,442.773,3.142,5,0.404,0.74,1.0,0.6357514906449181,0.7295850181618806,0.382581728462751,0.5192841477623192,0.5668005962579672
EOS-2-11389,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)no2)nn1,HUTHRILPGNHNBX-UHFFFAOYSA-N,2,1,0.494,34,446,442.773,3.142,5,0.404,0.73,1.0,0.627373038174217,0.7653776300459187,0.38621410458501815,0.5224796107189363,0.5753610958810226
EOS-2-11390,Fc1cc(-c2nc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)no2)cnn1,QMNALZNICKOSSD-UHFFFAOYSA-N,2,1,0.411,73,877,442.773,3.142,5,0.404,0.59,1.0,0.5649458570351586,0.60021588650538,0.4262216434788568,0.5523696114042903,0.5359382496059215
EOS-2-11391,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ncc(Cl)cn5)n4)n23)cc1F,XHRGCSIHOOFVPT-UHFFFAOYSA-N,2,1,0.537,73,756,442.773,3.142,5,0.404,0.71,1.0,0.8500445480090467,0.8034062093071072,0.35610993077924746,0.4866013295867315,0.6240405044205333
EOS-2-11392,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)no2)nn1,IMPNPARDYMTZDR-UHFFFAOYSA-N,2,1,0.518,73,756,442.773,3.142,5,0.404,0.71,1.0,0.7420156260708656,0.8371770269344116,0.4296398464807073,0.552378178329107,0.6403026694537729
EOS-2-11393,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(Cl)n5)n34)on2)cn1,QRAYSGKINGKAGP-UHFFFAOYSA-N,2,1,0.387,46,915,442.773,3.142,5,0.378,0.63,0.912,0.6993951751079432,0.647796586937153,0.5038122815434172,0.5558563498046741,0.601715098348297
EOS-2-11394,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5nnco5)n4)n23)cc1Cl,YJUTXPKSXDAYCU-UHFFFAOYSA-N,2,1,0.512,73,756,442.773,3.142,5,0.404,0.66,1.0,0.8310345418408608,0.8743403467891165,0.45179391405661024,0.5590689466109245,0.679059437324378
EOS-2-11395,Fc1cnc(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)cc1F,ZPEGMKDZACZNMK-UHFFFAOYSA-N,2,1,0.363,45,844,457.231,4.29,5,0.399,0.65,0.975,0.3793434308820506,0.6236207251045165,0.8273336303200604,0.9221352203413062,0.6881082516619834
EOS-2-11396,Fc1cc(-c2cncnn2)ncc1-c1cncc2nnc(-c3cc(Cl)c(Cl)cc3F)n12,XLMIZUKRDDIRHS-UHFFFAOYSA-N,2,1,0.308,45,575,457.231,4.29,5,0.373,0.63,1.0,0.38156226440956753,0.5566959084367076,0.9117949420875883,0.9499091905969433,0.6999905763827017
EOS-2-11397,Fc1cc(-c2nnc3cncc(-c4cnnc(-c5ccc(Cl)nc5)n4)n23)c(F)cc1Cl,ULEIRESASFWVQR-UHFFFAOYSA-N,2,1,0.333,22,575,457.231,4.29,5,0.295,0.65,0.945,0.3971455006510863,0.657545747378521,0.8613871564663148,0.9272239736824069,0.7108255945445823
EOS-2-11398,OCc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(Cl)c2)no1,BXNKVRJJCRLQMP-UHFFFAOYSA-N,2,1,0.37,45,46,457.252,4.447,5,0.426,0.72,1.0,0.4167894592557056,0.6192601603728326,0.810782331574258,0.892793502844219,0.6849063635117538
EOS-2-11399,Fc1ccccc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)no1,YZMDKSRJFBRXIU-UHFFFAOYSA-N,2,1,0.542,34,210,457.252,4.866,5,0.372,0.78,1.0,0.7085617846617778,0.8338359262559112,0.7286854910561305,0.8523490507847303,0.7808580631896375
EOS-2-11400,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)no4)n23)cnc1Cl,TWTKDNLVSUPTAP-UHFFFAOYSA-N,2,1,0.536,59,89,457.252,4.866,5,0.348,0.74,1.0,0.6598502501542046,0.6868788979507916,0.8699026797340826,0.9076571174011376,0.7810722363100541
EOS-2-11401,COc1cc(-c2nnc3cncc(-c4noc(-c5cc(Cl)ccc5F)n4)n23)ccc1Cl,YVCRTSUAPXARJL-UHFFFAOYSA-N,2,1,0.361,45,730,457.252,4.963,5,0.377,0.82,1.0,0.6784404770063738,0.7608457268179014,0.827342197244877,0.8817079021314509,0.7870840758001508
EOS-2-11402,Fc1cc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)ccc1Cl,HHGABDXCPPYMMW-UHFFFAOYSA-N,2,1,0.59,34,210,457.252,4.866,5,0.372,0.8,1.0,0.9108611472825714,0.9091563292440545,0.7984716606127065,0.8803543280104174,0.8747108662874374
EOS-2-11403,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)c(Cl)c1,HLWGTYXJAANCIP-UHFFFAOYSA-N,2,1,0.537,34,146,457.252,4.866,5,0.372,0.78,1.0,0.702290795695977,0.8073726954972243,0.7602631759303681,0.8687632787334658,0.7846724864642589
EOS-2-11404,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)cc1Cl,ONFDISAHXUTSOD-UHFFFAOYSA-N,2,1,0.59,34,210,457.252,4.866,5,0.372,0.81,1.0,0.9045987252415872,0.8956120211089027,0.7960729216640394,0.8789493523404839,0.8688082550887534
EOS-2-11405,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3nnc(-c4ccc(Cl)cc4)o3)n12,UWIWFFABQRBYPX-UHFFFAOYSA-N,2,1,0.506,34,671,457.252,4.866,5,0.372,0.77,1.0,0.8104396545815914,0.9280463984648071,0.7415101775066822,0.8573007333287643,0.8343242409704612
EOS-2-11406,Fc1cccc(-c2noc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)c1,YRWAZLRYRBJYMY-UHFFFAOYSA-N,2,1,0.548,34,929,457.252,4.866,5,0.372,0.83,1.0,0.7567678706051676,0.897822287711603,0.7440545541772325,0.8590569529161812,0.8144254163525462
EOS-2-11407,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ccnc(Cl)c5)o4)n23)ccc1Cl,IFFUVGFHIDRAIE-UHFFFAOYSA-N,2,1,0.548,59,71,457.252,4.866,5,0.348,0.67,1.0,0.9233174559660065,0.9496778836268933,0.8725841272016996,0.8995870742238367,0.9112916352546091
EOS-2-11408,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4cc(Cl)ccn4)o3)n12,FLAHLNSXNXEDSO-UHFFFAOYSA-N,2,1,0.523,34,10,457.252,4.866,5,0.372,0.71,1.0,0.8588941813446646,0.915204578164622,0.8107908984990748,0.8760451648276335,0.8652337057089987
EOS-2-11409,Fc1cc(Cl)c(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ncco1,YVNPESYVHIYHKX-UHFFFAOYSA-N,2,1,0.471,59,89,457.252,4.866,5,0.372,0.7,1.0,0.8407751353574121,0.7910955383455555,0.8790949900623672,0.9055753546706874,0.8541352546090055
EOS-2-11410,Fc1cc(-c2nnc3cncc(OCc4coc(-c5cncc(Cl)c5)n4)n23)ccc1Cl,ZGYNQSOIQAJSKY-UHFFFAOYSA-N,2,1,0.529,59,71,457.252,4.866,5,0.372,0.73,1.0,0.847740045233363,0.902362757864437,0.8489993831814132,0.8873706394352683,0.8716182064286204
EOS-2-11411,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)cc1Cl,DAXWGGASXCPIOH-UHFFFAOYSA-N,2,1,0.61,34,210,457.252,4.866,5,0.372,0.82,1.0,0.9247052977863066,0.9110410527037215,0.7984802275375231,0.8817164690562675,0.8789857617709547
EOS-2-11412,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3nnn(-c4ccccc4Cl)n3)n12,KGKVECWXDPVPLY-UHFFFAOYSA-N,2,1,0.432,34,612,457.256,3.792,5,0.396,0.62,1.0,0.37706462888081693,0.5425604824892056,0.4335206634226578,0.6788431224727571,0.5079972243163593
EOS-2-11413,Cn1cnnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,IOICHINIARJEDE-UHFFFAOYSA-N,2,1,0.449,13,252,457.256,4.22,5,0.399,0.7,1.0,0.5592574189568912,0.7739445548625865,0.670438969227606,0.7773456240148037,0.6952466417654719
EOS-2-11414,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)cc(Cl)c5)n34)cc2F)n1,BGIVNRKMOQMRIM-UHFFFAOYSA-N,2,1,0.55,13,941,457.256,4.22,5,0.399,0.74,1.0,0.5990936193543965,0.7911041052703721,0.6868189294770749,0.804571311082174,0.7203969912960044
EOS-2-11415,Cn1nnnc1-c1ccc(Cl)c(Oc2cncc3nnc(-c4ccc(F)cc4Cl)n23)c1,UCYHTXNCVXCGMP-UHFFFAOYSA-N,2,1,0.488,34,941,457.256,4.22,5,0.399,0.82,1.0,0.5386196970735385,0.8798831471455006,0.7052977863066274,0.8294496607497772,0.7383125728188609
EOS-2-11416,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,SFECTVHVCGMFKT-UHFFFAOYSA-N,2,1,0.595,34,612,457.256,3.792,5,0.396,0.63,1.0,0.6445325885820026,0.8371855938592283,0.5875111370022617,0.7725224453430196,0.7104379411966281
EOS-2-11417,Cn1cnnc1-c1cccc(Oc2cncc3nnc(-c4cc(Cl)c(Cl)cc4F)n23)n1,JNVBTJXIJIPMNY-UHFFFAOYSA-N,2,1,0.358,22,252,457.256,4.22,5,0.373,0.78,1.0,0.6133746830237817,0.7343824960592146,0.645526351860736,0.7259697758892468,0.6798133267082448
EOS-2-11418,Cn1nc(-c2ncc(Cl)cn2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3F)n12,VBCXEGCRQVFHFI-UHFFFAOYSA-N,2,1,0.494,73,446,457.256,4.22,5,0.399,0.69,1.0,0.5649544239599753,0.7343910629840312,0.5616218902062915,0.6758875334110068,0.6342137276403262
EOS-2-11419,Fc1ccc(-n2nnnc2COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1,RSKWURKKBIJFQK-UHFFFAOYSA-N,2,1,0.512,34,612,457.256,3.792,5,0.396,0.74,1.0,0.4630508532657117,0.7782023164964704,0.5750633952436434,0.7843191008155712,0.6501589164553492
EOS-2-11420,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(Cl)c4)n23)cc1Cl,PTBZYUVBGUFXEG-UHFFFAOYSA-N,2,1,0.703,34,6,457.256,3.996,5,0.425,0.76,1.0,0.9433383592625592,0.9427129737509423,0.8582002604345145,0.9043588513467206,0.9121526111986841
EOS-2-11421,COc1nc(Cl)ccc1-c1nnc2cncc(-c3cnn(-c4cc(Cl)c(F)cn4)c3)n12,YGDNTQAOQHORMA-UHFFFAOYSA-N,2,1,0.324,50,575,457.256,3.889,5,0.378,0.67,1.0,0.15506133918168735,0.4124374614488383,0.642485093550819,0.6988211911452266,0.4772012713316428
EOS-2-11422,Fc1c(-c2nnc3cncc(OCc4ccc(-n5cnnn5)cc4)n23)ccc(Cl)c1Cl,JHYKHMMMBYDAJP-UHFFFAOYSA-N,2,1,0.518,34,612,457.256,3.792,5,0.371,0.71,1.0,0.5233877047495031,0.7696696593790693,0.8598536769241313,0.8873792063600849,0.7600725618531972
EOS-2-11423,COc1cc(Cl)c(Cl)cc1-c1nnc2cncc(-c3cnc(-c4c[nH]nn4)cc3F)n12,GNTGZNPMDNAINP-UHFFFAOYSA-N,2,1,0.322,22,844,457.256,4.093,5,0.433,0.67,1.0,0.37935199780686724,0.48772359673771504,0.8293297238023439,0.857309300253581,0.6384286546501268
EOS-2-11424,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1cnc(Cl)cn1,NULBWJVNFUHKBC-UHFFFAOYSA-N,2,1,0.418,95,956,457.256,4.22,5,0.399,0.7,1.0,0.40136042766088686,0.4656380645603454,0.6330357754780344,0.7369354396545816,0.559242426838462
EOS-2-11425,Cn1nc(-c2cc(F)c(Cl)nn2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,SZRIBCCRCPBENI-UHFFFAOYSA-N,2,1,0.506,34,706,457.256,4.22,5,0.399,0.68,1.0,0.6931927215406758,0.837194160784045,0.6244774175861832,0.7285055856349805,0.7208424713864712
EOS-2-11426,Cn1nnnc1-c1ccc(Cl)c(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,DHGGLBUQJPQNNP-UHFFFAOYSA-N,2,1,0.488,34,941,457.256,4.22,5,0.399,0.76,1.0,0.564962990884792,0.885057569734768,0.7078335960523611,0.8294582276745939,0.7468280960866287
EOS-2-11427,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cc(Cl)nn4)nc3)n12,YNHLTDGSIZEVRH-UHFFFAOYSA-N,2,1,0.535,34,10,457.256,3.792,5,0.396,0.63,1.0,0.41010725789870467,0.6379446233979851,0.6731889520937564,0.7627304502775684,0.6209928209170036
EOS-2-11428,Cn1nc(-c2ccc(Cl)nn2)cc1Oc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,DICCCRWDCRGHBZ-UHFFFAOYSA-N,2,1,0.471,22,706,457.256,4.22,5,0.399,0.72,1.0,0.6445411555068192,0.8338444931807278,0.673197519018573,0.7524158727983004,0.7259997601261051
EOS-2-11429,Cn1nnnc1-c1cc(Cl)cc(Oc2cncc3nnc(-c4c(F)cccc4Cl)n23)c1,WPVOAWFDAVUOPV-UHFFFAOYSA-N,2,1,0.543,34,941,457.256,4.22,5,0.399,0.76,1.0,0.4517253786580769,0.7018710163799603,0.6512062230141868,0.802403879103557,0.6518016242889453
EOS-2-11430,Cn1nc(-c2nnc3cncc(Oc4cc(Cl)c(F)cc4Cl)n23)cc1-c1cnccn1,ZMAMZGRFUYBNGS-UHFFFAOYSA-N,2,1,0.4,95,956,457.256,4.22,5,0.373,0.62,1.0,0.44928380508532656,0.46150880679871154,0.70030326913851,0.77498971969022,0.596521400178192
EOS-2-11431,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)cc1-c1cnc(Cl)nc1,WIMXXOIWUAVBRP-UHFFFAOYSA-N,2,1,0.524,95,956,457.256,4.22,5,0.373,0.7,1.0,0.4755414296484134,0.48306318963744777,0.7155181276129121,0.7819289287917209,0.6140129189226236
EOS-2-11432,Fc1ccc(Cn2cc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)cc1F,OHDYHANSVDYTPR-UHFFFAOYSA-N,2,1,0.411,45,102,457.271,5.288,5,0.368,0.73,1.0,0.3076040024672744,0.5380542800356384,0.9700414639161127,0.9859416763758482,0.7004103556987185
EOS-2-11433,Cn1nc(-c2ccc(F)c(F)c2)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1Cl,IISUARFPDCLZQC-UHFFFAOYSA-N,2,1,0.443,45,102,457.271,5.444,5,0.362,0.73,1.0,0.31547700637379206,0.6379531903228017,0.9360050716194914,0.9720289904735796,0.7153660646974161
EOS-2-11434,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)c(F)cc5F)n34)c(Cl)c2)cn1,FIRBIWCAHJTBNA-UHFFFAOYSA-N,2,1,0.344,45,102,457.271,5.444,5,0.339,0.71,1.0,0.26746795970118564,0.4656466314851621,0.9795250496881639,0.987800699061065,0.6751100849838941
EOS-2-11435,Brc1ccc(-c2nnc3cncc(OCc4noc(-c5cncs5)n4)n23)nc1,MPLWOSVVGFVQGQ-UHFFFAOYSA-N,2,1,0.4,51,128,457.273,3.034,5,0.393,0.64,1.0,0.4101158248235213,0.45692550202179427,0.0420464670002056,0.062392913439791656,0.24287017682132825
EOS-2-11436,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)no2)n1C,RPKSQTJAGHSEKS-UHFFFAOYSA-N,2,1,0.529,36,391,457.281,3.769,5,0.393,0.66,1.0,0.5259320814200534,0.677044068261257,0.2243163593996299,0.3511839490096635,0.444619114522651
EOS-2-11437,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,BHTNZOKPNXDCEC-UHFFFAOYSA-N,2,1,0.529,36,404,457.285,2.601,5,0.396,0.65,1.0,0.39926153108080326,0.6624117606743883,0.10766054417106435,0.24382324720718251,0.3532892707833596
EOS-2-11438,Cc1cc(Cl)cc2nc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n(C)c12,RDXURBPSFKZOKZ-UHFFFAOYSA-N,2,1,0.517,23,446,457.296,5.011,5,0.38,0.66,1.0,0.7628675210746351,0.8304005894044274,0.7339541498183811,0.8335189500376945,0.7901853025837845
EOS-2-11439,Clc1ccc(-c2nnc3cncc(-c4ccc(-n5ncc(Cl)c5Cl)cc4)n23)cn1,JLQKKHAOQFTWTF-UHFFFAOYSA-N,2,1,0.359,96,46,442.697,4.999,5,0.368,0.69,1.0,0.041318278390788846,0.28597251730518813,0.8538225618531972,0.9320642862038243,0.5282944109382496
EOS-2-11440,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)cc1,FYYZZYAQSLQVGN-UHFFFAOYSA-N,2,1,0.384,45,730,442.697,4.999,5,0.393,0.7,1.0,0.11393153313686519,0.45253923651566036,0.8567610170653143,0.9471163731067096,0.5925870399561373
EOS-2-11441,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)cc1Cl,REZWPTRWSFXHLR-UHFFFAOYSA-N,2,1,0.364,45,102,442.697,5.204,5,0.415,0.73,1.0,0.3203430196696594,0.5333938729353711,0.9258361318621068,0.9677455280652457,0.6868296381330957
EOS-2-11442,Clc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)c(Cl)c5)n4)n23)cc1,JVLPUXDKBKGMFX-UHFFFAOYSA-N,2,1,0.423,45,730,442.697,4.999,5,0.393,0.77,1.0,0.15776848742375438,0.5104002467274347,0.8582088273593311,0.9484699472277431,0.6187118771845659
EOS-2-11443,Clc1ccc(-c2nnc3cncc(-c4cnn(-c5cc(Cl)cc(Cl)c5)n4)n23)cc1,JTUNOZZMWPDZEJ-UHFFFAOYSA-N,2,1,0.435,45,730,442.697,4.999,5,0.393,0.75,1.0,0.17675279281749023,0.4877321636625317,0.8293382907271606,0.939834487012542,0.6084144335549312
EOS-2-11444,Clc1ccc(-c2cnns2)cc1-c1nnc2cncc(OCc3nnccc3Cl)n12,QTQIKDUFHSOSFZ-UHFFFAOYSA-N,2,1,0.443,36,534,457.306,3.986,5,0.39,0.63,1.0,0.412214721403605,0.6002244534301967,0.47971352203413065,0.6324103899664176,0.5311407717085875
EOS-2-11445,Clc1cncc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)c1,SZPGIPZNCKBETJ-UHFFFAOYSA-N,2,1,0.455,2,85,457.306,3.986,5,0.365,0.65,1.0,0.4492923720101432,0.6721523541909397,0.2604687821259681,0.4340004112123912,0.45397847988486056
EOS-2-11446,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccnc(Cl)n5)s4)n23)cc1,AVFCHVHLYQMXTA-UHFFFAOYSA-N,2,1,0.542,4,32,457.306,3.986,5,0.365,0.76,1.0,0.6903742032759921,0.8688575149064491,0.2070711397436776,0.3801915564389007,0.5366236035912548
EOS-2-11447,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)ns4)n23)nc1,GKBGXNGKLSKVSL-UHFFFAOYSA-N,2,1,0.394,46,128,457.306,3.986,5,0.365,0.68,1.0,0.4421989582619423,0.5954698101569461,0.21725721335069564,0.3899664176547187,0.41122309985607564
EOS-2-11448,Clc1cnc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4nccs4)n23)nc1,GENAIERNKXNPIJ-UHFFFAOYSA-N,2,1,0.585,73,930,457.306,3.986,5,0.365,0.72,1.0,0.5619988348982249,0.7250445480090467,0.18639058323624152,0.31914365019532587,0.4481444040847098
EOS-2-11449,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)cn5)ns4)n23)cn1,QIUJAPAKCGZTNX-UHFFFAOYSA-N,2,1,0.46,55,283,457.306,3.986,5,0.365,0.56,1.0,0.559265985881708,0.7066427935028442,0.359862243848948,0.48050167911726405,0.526568175587691
EOS-2-11450,Clc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)nc1,WONYWTFJVXJBAV-UHFFFAOYSA-N,2,1,0.427,46,842,457.306,3.986,5,0.39,0.6,0.744,0.5592745528065246,0.5614848194092249,0.3115533548077582,0.4307021451579741,0.46575371804537047
EOS-2-11451,Clc1ncc(-c2ccc(-c3nnc4cncc(OCc5sncc5Cl)n34)cn2)cn1,SEHUMUMQQHSUIQ-UHFFFAOYSA-N,2,1,0.476,55,434,457.306,3.986,5,0.365,0.66,1.0,0.5991021862792132,0.6770526351860736,0.37897505311493385,0.4745819340689466,0.5324279521622919
EOS-2-11452,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccsc5)nn4)n23)c(Cl)n1,OMJODKMDNIVIBU-UHFFFAOYSA-N,2,1,0.448,92,875,457.306,3.986,5,0.365,0.64,1.0,0.5259406483448701,0.7066513604276609,0.2788191350832705,0.42137276403262286,0.4831959769721061
EOS-2-11453,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)cc2)s1,PFPZFRGERVZUET-UHFFFAOYSA-N,2,1,0.525,57,913,457.317,6.758,5,0.299,0.76,1.0,0.9138595709684052,0.9357480638749914,0.9700500308409293,0.9822493317798643,0.9504767493660476
EOS-2-11454,Cc1csc(-c2cc(Cl)c(-c3cncc4nnc(-c5cc(F)ccc5Cl)n34)cn2)n1,PVQGCXFSSNBVSV-UHFFFAOYSA-N,2,1,0.333,45,140,457.321,5.731,5,0.346,0.71,0.999,0.25408642313755053,0.48774073058734835,0.8085377972722911,0.8928020697690358,0.6107917551915565
EOS-2-11455,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cc2Cl)s1,MYKWEAYOAAZHCO-UHFFFAOYSA-N,2,1,0.405,45,102,457.321,5.731,5,0.346,0.8,1.0,0.3329535329997944,0.6048334589815639,0.8523404838599137,0.922143787266123,0.6780678157768488
EOS-2-11456,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5Cl)n34)cc2)s1,OHQPRHAHQDZXLC-UHFFFAOYSA-N,2,1,0.338,45,558,457.321,5.731,5,0.324,0.74,1.0,0.26747652662600235,0.5614933863340416,0.8490079501062299,0.9066205194983209,0.6461495956411487
EOS-2-11457,CCOc1c(Cl)cc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)s4)n23)cc1Cl,PORGZWODTLMDEY-UHFFFAOYSA-N,2,1,0.33,22,140,457.346,5.615,5,0.371,0.65,1.0,0.3840295387567679,0.48774929751216506,0.7388458638886986,0.7773541909396203,0.596994722774313
EOS-2-11458,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2Cl)cn1,NVOQBBQBGIGAFA-UHFFFAOYSA-N,2,1,0.549,4,554,457.346,5.139,5,0.366,0.68,1.0,0.5259492152696867,0.6819015146323076,0.8147488177643754,0.8413919539442122,0.7159978754026455
EOS-2-11459,Cn1cncc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,VIZPOKDQUUOMQD-UHFFFAOYSA-N,2,1,0.477,4,554,457.346,5.139,5,0.366,0.73,1.0,0.6077119457199643,0.6770612021108903,0.7835052429579878,0.8214995545199095,0.7224444863271879
EOS-2-11460,Fc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(C(F)F)c(F)c5)n34)n2)nc1,QCQODTCWVFFNFC-UHFFFAOYSA-N,2,1,0.462,27,343,457.347,4.031,5,0.352,0.65,1.0,0.7912668768418888,0.7653861969707354,0.82538037146186,0.8155112740730588,0.7993861798368858
EOS-2-11461,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5nnco5)c4)n23)ccc1C(F)(F)F,VOECKDLIGHSOPM-UHFFFAOYSA-N,2,1,0.5,27,51,457.347,3.973,5,0.365,0.7,1.0,0.915255979713522,0.8265968747858269,0.9659293400041121,0.9166095538345556,0.9060979370845041
EOS-2-11462,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)ncc2F)o1,YQGSGKOCDAITLO-UHFFFAOYSA-N,2,1,0.457,73,712,457.347,3.68,5,0.291,0.63,1.0,0.6416284010691522,0.7524758412720169,0.8085463641971078,0.7819374957165376,0.7461470255637036
EOS-2-11463,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)c(F)c5)n34)no2)nc1,GLEVMXQBMXAKAE-UHFFFAOYSA-N,2,1,0.462,73,756,457.347,4.031,5,0.352,0.68,1.0,0.745048317455966,0.7113117675279281,0.8273507641696937,0.8133095743951751,0.7742551058871908
EOS-2-11464,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5noc(C(F)(F)F)n5)cc4)n23)cn1,PBTUNANZWSMFCS-UHFFFAOYSA-N,2,1,0.575,27,343,457.347,3.973,5,0.288,0.77,1.0,0.8613357549174149,0.7113203344527449,0.898284901651703,0.7653861969707354,0.8090817969981496
EOS-2-11465,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)no2)nc1,CKLUGRWUFPCUCH-UHFFFAOYSA-N,2,1,0.494,27,679,457.347,3.973,5,0.365,0.78,1.0,0.8589027482694812,0.7948906860393393,0.9118035090124049,0.862363785895415,0.8569901823041601
EOS-2-11466,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(OCc3ccc(-c4conn4)cn3)n12,BDISYDKUAPBRLF-UHFFFAOYSA-N,2,1,0.494,27,51,457.347,3.973,5,0.365,0.64,1.0,0.7085703515865944,0.7911126721951888,0.9717120142553629,0.9356109930779247,0.8517515077787677
EOS-2-11467,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5cc(F)ccc5OC(F)(F)F)n34)nn2)n1,UHHOWJZMRNDSQE-UHFFFAOYSA-N,2,1,0.353,22,542,457.351,3.082,5,0.379,0.75,0.047,0.3179785484202591,0.57556027688301,0.8567695839901309,0.7959529847166061,0.6365653485025016
EOS-2-11468,Cn1nnc(-c2nc(COc3cncc4nnc(-c5cc(F)c(F)cc5F)n34)ccc2F)n1,VAEWSZUCAGWDTN-UHFFFAOYSA-N,2,1,0.494,36,391,457.351,2.512,5,0.293,0.59,1.0,0.4976869302994997,0.5908693715303954,0.5282451511205538,0.5937221574943459,0.5526309026111986
EOS-2-11469,Fc1cc(-c2nnc3cncc(OCCc4cc(F)c(F)c(F)n4)n23)ccc1-c1nn[nH]n1,KKNZTGBIKSGJHU-UHFFFAOYSA-N,2,1,0.517,37,6,457.351,2.544,5,0.305,0.7,1.0,0.9046072921664039,0.8406551984099787,0.7103180042491947,0.7154752929888287,0.7927639469536015
EOS-2-11470,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nc(Cl)cc(Cl)c3F)n12,JDFKEYGTLUSMLL-UHFFFAOYSA-N,2,1,0.562,23,627,442.64,5.004,4,0.416,0.68,1.0,0.8613443218422315,0.94968645055171,0.9713693372626961,0.9884175176478651,0.9427044068261257
EOS-2-11471,Cn1nc(-c2ccc(F)c(F)c2)nc1-c1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,YUDVQJNNHUOBKH-UHFFFAOYSA-N,2,1,0.393,22,316,457.366,4.551,5,0.372,0.81,1.0,0.3051966965937907,0.5659139195394421,0.9756356658213967,0.9667260640120622,0.7033680864916729
EOS-2-11472,Cc1ncc(-c2ncoc2-c2nnc3cncc(-c4cnn(CCOC(F)F)c4)n23)c(F)n1,UPFCENVIHCHONC-UHFFFAOYSA-N,2,1,0.273,50,489,457.376,2.787,5,0.34,0.62,0.995,0.3052052635186074,0.20438969227606057,0.35987081077376465,0.3414347885682955,0.30272513878418206
EOS-2-11473,On1cc(CCOc2cncc3nnc(-c4ccc(-c5nncn5C(F)(F)F)cc4)n23)cn1,JPNFBQATZMMWHS-UHFFFAOYSA-N,2,1,0.543,36,734,457.376,2.581,5,0.386,0.62,1.0,0.5991107532040298,0.5615019532588582,0.7602717428551847,0.5937307244191625,0.6286537934343088
EOS-2-11474,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)n(C)n1,LLBMYDVWVIUYOY-UHFFFAOYSA-N,2,1,0.537,36,292,457.376,3.011,5,0.396,0.81,1.0,0.6357600575697347,0.6819100815571243,0.6839832773627579,0.5391337125625385,0.6351967822630389
EOS-2-11475,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)no2)n1,MZQBQJJJOIRZIC-UHFFFAOYSA-N,2,1,0.436,81,59,457.385,3.004,6,0.34,0.68,1.0,0.6328730039065177,0.5334024398601878,0.16697793160167226,0.17499657323007334,0.3770624871496127
EOS-2-11476,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1-c1nnco1,XWJCMZARJOZWDY-UHFFFAOYSA-N,2,1,0.518,81,117,457.385,3.004,6,0.364,0.62,1.0,0.7771571516688369,0.6379617572476184,0.34871667466246314,0.30697005003084094,0.5177014084024398
EOS-2-11477,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1-c1ncon1,FKRZILYRVZVOCH-UHFFFAOYSA-N,2,1,0.489,40,117,457.385,3.004,6,0.364,0.68,1.0,0.672272291138373,0.6145226509492153,0.2389315331368652,0.22931087656774723,0.43875933794805017
EOS-2-11478,Cc1nc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c(F)c2)no1,CRABRNZJHDKDHS-UHFFFAOYSA-N,2,1,0.387,40,622,457.385,3.526,6,0.375,0.73,1.0,0.6691539305051059,0.5908779384552121,0.22800013707079705,0.18888355835789186,0.41922889109725175
EOS-2-11479,Fc1nc(-c2nnc3cncc(OCc4ccc(-c5cocn5)cn4)n23)ccc1-c1nnco1,RQYGOEXVYWVNSJ-UHFFFAOYSA-N,2,1,0.447,6,826,457.385,3.004,6,0.34,0.55,1.0,0.5411469398944555,0.46565519840997877,0.2710146665752861,0.2380748406551984,0.37897291138372974
EOS-2-11480,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)o2)nc1,DSEONEUGNXTQHO-UHFFFAOYSA-N,2,1,0.408,6,584,457.389,2.134,6,0.39,0.56,1.0,0.5679014460969091,0.5659224864642588,0.08315913919539442,0.0930111027345624,0.3274985436227812
EOS-2-11481,Fc1cnc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cn1,AAHCRMSULVMOHV-UHFFFAOYSA-N,2,1,0.417,56,425,457.389,2.134,6,0.39,0.63,1.0,0.5309265985881708,0.5289219381810705,0.09046672606401206,0.09696902199986293,0.311821071208279
EOS-2-11482,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5n[nH]c(=O)o5)nn4)n23)c(F)c1,VTKBSHILOZXYLO-UHFFFAOYSA-N,2,1,0.308,98,63,457.389,1.526,6,0.411,0.56,0.252,0.32035158659447605,0.3405352614625454,0.09047529298882873,0.11221814817353162,0.21589507230484545
EOS-2-11483,Cn1nnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)nc4)n23)cc1F,COYLDPFPXFJTNF-UHFFFAOYSA-N,2,1,0.473,71,870,457.389,2.358,6,0.375,0.63,1.0,0.5259577821945035,0.5704458227674594,0.14220238503186897,0.15904495922143788,0.3494127373038174
EOS-2-11484,Fc1cccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cn5)n34)o2)c1,OTDGCUWZEAGOFC-UHFFFAOYSA-N,2,1,0.392,71,826,457.389,2.134,6,0.39,0.68,1.0,0.48290041806593104,0.4922297991912823,0.11025632239051471,0.13891268590226852,0.3060748063874991
EOS-2-11485,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)no2)cn1,DVKQVXSIKPSIGC-UHFFFAOYSA-N,2,1,0.441,56,893,457.389,2.134,6,0.365,0.63,1.0,0.5733585772051264,0.5017390857377836,0.14221095195668562,0.1485504763210198,0.34146477280515386
EOS-2-11486,Fc1cc(-c2nnco2)cnc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,YNEJILWYDDBGRQ-UHFFFAOYSA-N,2,1,0.462,71,893,457.389,2.134,6,0.39,0.63,1.0,0.6630285792611884,0.4830717565622644,0.2172657802755123,0.2119457199643616,0.3938279590158316
EOS-2-11487,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)no2)nc1,FEANERKMUMXSQQ-UHFFFAOYSA-N,2,1,0.392,80,584,457.389,2.134,6,0.39,0.56,1.0,0.5359810842300048,0.5062709889658008,0.0762970324172435,0.08728839695702831,0.3014593756425194
EOS-2-11488,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)no2)c1,GZJBPMIYQZMAQK-UHFFFAOYSA-N,2,1,0.426,56,893,457.389,2.134,6,0.39,0.68,1.0,0.5733671441299432,0.5017476526626002,0.13604276608868482,0.1536135288876705,0.3411927729422247
EOS-2-11489,Fc1cc(-c2nnc3cncc(OCc4nc(-c5cccnc5)no4)n23)ccc1-c1nn[nH]n1,WCPNCVZUIDMHRE-UHFFFAOYSA-N,2,1,0.489,56,425,457.389,2.134,6,0.39,0.72,1.0,0.6162103351380989,0.5908865053800287,0.13014872181481735,0.15362209581248715,0.372716914536358
EOS-2-11490,Cc1nc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)cc2F)no1,QHPCUCSIOZFDAG-UHFFFAOYSA-N,2,1,0.34,32,287,457.4,4.75,6,0.373,0.7,1.0,0.3130097320265917,0.37922349393461724,0.6455349187855527,0.6554896854225207,0.4983144575423206
EOS-2-11491,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2F)o1,GONUGVUKEVTITB-UHFFFAOYSA-N,2,1,0.325,3,923,457.4,4.75,6,0.373,0.64,1.0,0.39715406757590294,0.4569340689466109,0.7984887944623398,0.7677506682201357,0.6050818998012474
EOS-2-11492,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)c(F)c6)o5)n34)cc2)o1,MRFQBFJWQBHKRB-UHFFFAOYSA-N,2,1,0.32,3,641,457.4,4.75,6,0.373,0.68,1.0,0.4285775478034405,0.5520869028853402,0.694966074977726,0.6847971352203414,0.590106915221712
EOS-2-11493,FC(F)(F)c1cnc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ncn2)cn1,KEAFHPRLIAONON-UHFFFAOYSA-N,2,1,0.418,7,296,457.401,3.093,5,0.392,0.64,0.984,0.5564303337673908,0.4877578644369817,0.664973271194572,0.48051024604208076,0.5474179288602563
EOS-2-11494,FC(F)c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)cn1,XNQBLJRPHJDDPA-UHFFFAOYSA-N,2,1,0.314,42,620,457.404,4.027,6,0.381,0.7,0.999,0.04270612021108903,0.13495476663696798,0.6976646562949763,0.6440871084915358,0.3798531629086423
EOS-2-11495,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)cc5)o4)n23)c(F)c1,ADPWQZWWFJZFID-UHFFFAOYSA-N,2,1,0.362,3,314,457.404,3.582,6,0.395,0.78,1.0,0.267485093550819,0.4790024672743472,0.4410167226372421,0.5192927146871359,0.426699249537386
EOS-2-11496,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)c(F)c6)n5)n34)cc2)o1,GPERVDYDDXSLGO-UHFFFAOYSA-N,2,1,0.308,3,973,457.404,3.676,6,0.394,0.68,1.0,0.13318141319991775,0.3503529573024467,0.4797220889589473,0.522488177643753,0.37143615927626616
EOS-2-11497,N#Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc(F)n2)cn1,OPOVAUDQMQLAMZ-UHFFFAOYSA-N,2,1,0.5,75,904,457.404,2.81,5,0.354,0.69,1.0,0.8635974230690151,0.8538910972517305,0.630028784867384,0.5995133986704133,0.7367576759646357
EOS-2-11498,Cn1cnnc1-c1cc(F)cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c1F,PKRSKKFKROZGAN-UHFFFAOYSA-N,2,1,0.318,3,340,457.404,3.582,6,0.395,0.69,1.0,0.2540949900623672,0.33078610102117745,0.5517870605167569,0.5815142896305942,0.42954561030772387
EOS-2-11499,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnnn5-c5cccc(F)c5F)n34)cc2)o1,NFBVTPZDQNDFMZ-UHFFFAOYSA-N,2,1,0.3,3,973,457.404,3.676,6,0.394,0.65,0.907,0.11923445959838257,0.3166592419984922,0.4728000137070797,0.543014529504489,0.3629270612021109
EOS-2-11500,Fc1cc(F)cc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,VVGDRBKEHZZLSY-UHFFFAOYSA-N,2,1,0.297,98,973,457.408,2.556,6,0.418,0.73,1.0,0.1913165650058255,0.24505688438078269,0.2565965321088342,0.377193132753067,0.2675407785621273
EOS-2-11501,FC(F)n1cc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nn2)cn1,MHDFGBASPRFLQD-UHFFFAOYSA-N,2,1,0.34,10,342,457.408,3.088,6,0.388,0.58,1.0,0.007718799259817696,0.07586868617641011,0.3935559591529025,0.4116835720649716,0.22220675416352548
EOS-2-11502,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5nc(F)ncc5F)c4)n23)cn1,KKRLGZGLOROEJG-UHFFFAOYSA-N,2,1,0.295,86,249,457.408,2.508,6,0.371,0.65,0.994,0.01493214995545199,0.14238229045301898,0.2243249263244466,0.2321208279076143,0.15344004866013294
EOS-2-11503,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnnn6C)on5)n34)cc2)o1,UXDSDPDCCDHINB-UHFFFAOYSA-N,2,1,0.511,71,415,457.414,1.907,6,0.358,0.68,1.0,0.3130182989514084,0.19978925364950997,0.018084778287985746,0.012696182578301693,0.13589712836680146
EOS-2-11504,N#Cc1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccc(F)c(F)c4)n23)cc1F,UNSDRBPXIRQXNR-UHFFFAOYSA-N,2,1,0.561,57,853,457.415,5.326,5,0.357,0.71,1.0,0.9903622095812488,0.9851877869919814,0.9886659584675485,0.9894626824754986,0.9884196593790693
EOS-2-11505,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nnn(C)n5)nc4)n23)no1,MWVMRZQQKVHHDP-UHFFFAOYSA-N,2,1,0.327,99,502,457.418,1.435,6,0.354,0.55,1.0,0.1686484819409225,0.15391337125625384,0.006031115070934137,0.002681447467617024,0.08281860393393187
EOS-2-11506,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnnn6C)on5)n34)cc2)n1,IKWOGFIQFIZXRO-UHFFFAOYSA-N,2,1,0.541,36,447,457.418,0.739,6,0.345,0.59,1.0,0.28916798026180524,0.2092814063463779,0.00777876773353437,0.0044976355287505996,0.12768144746761703
EOS-2-11507,COC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(F)c5)nn4)n23)cc1,IEMKVLYWYLWDPN-UHFFFAOYSA-N,2,1,0.473,89,534,457.425,3.148,5,0.354,0.74,1.0,0.6661126721951888,0.5017562195874169,0.4518024809814269,0.3191522171201426,0.4847058974710438
EOS-2-11508,COc1nc(-c2nnc3cncc(OCc4cncs4)n23)ccc1-c1ncn(C(F)F)n1,XFUSZULOZVSCCQ-UHFFFAOYSA-N,2,1,0.404,31,62,457.426,2.884,5,0.363,0.62,0.98,0.4055582208210541,0.3405438283873621,0.18310945103145776,0.10528750599684737,0.25862475155918035
EOS-2-11509,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5csc(F)n5)n34)nc2F)c(=O)n1C,FLCWVPHVLJEEHW-UHFFFAOYSA-N,2,1,0.404,31,237,457.426,1.599,5,0.365,0.58,0.348,0.3747515591803166,0.3982249331779864,0.03379651840175451,0.04065005825508875,0.21185576725378655
EOS-2-11510,Cn1c(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nnc1-c1csnn1,NWOBXTLAQBXIHT-UHFFFAOYSA-N,2,1,0.608,36,404,457.426,2.619,5,0.363,0.79,1.0,0.3770731958056336,0.538062846960455,0.16698649852648892,0.21747138647111233,0.32489848194092247
EOS-2-11511,COc1nc(-c2nnc3cncc(OCc4cc(C#N)c(F)cn4)n23)ccc1-c1ccn(C)n1,ZYXWOBQRJWHTKW-UHFFFAOYSA-N,2,1,0.402,49,501,457.429,2.58,5,0.378,0.58,1.0,0.41679802618052225,0.4215441025289562,0.41866561579055583,0.28242581043108766,0.3848583887327805
EOS-2-11512,COc1cc(C#N)cc(F)c1-c1nnc2cncc(OCc3cccc(-c4cn(C)nn4)n3)n12,PCIRRYORTHBTOZ-UHFFFAOYSA-N,2,1,0.439,36,134,457.429,2.58,5,0.378,0.63,0.949,0.3884757727366185,0.4830803234870811,0.42964841340552395,0.3383335617846618,0.40988451785347135
EOS-2-11513,Cn1ccc(-c2nnc3cncc(Oc4cc(-c5nnco5)nn4C)n23)c1-c1ccc(F)cc1,IKQPQWUMZYDBBD-UHFFFAOYSA-N,2,1,0.394,67,622,457.429,3.512,6,0.386,0.58,1.0,0.4606949489411281,0.5151977246247686,0.3005619902679734,0.3036546501267905,0.3950273284901652
EOS-2-11514,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cncc(F)c6)n5C)n34)o2)n1C,NZBJCUZKWCVZIP-UHFFFAOYSA-N,2,1,0.256,99,794,457.433,2.485,6,0.392,0.63,0.384,0.15242272633815365,0.21416455349187855,0.01892433692001919,0.030678157768487424,0.10404744362963471
EOS-2-11515,Cn1cnnc1-c1nn(C)c(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1F,HQANWWKKLNDYFQ-UHFFFAOYSA-N,2,1,0.371,67,789,457.433,2.642,6,0.418,0.58,1.0,0.4493009389349599,0.5567044753615242,0.08316770612021109,0.09115208004934548,0.29508130011651024
EOS-2-11516,c1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6csnn6)nc5)n34)cn2)no1,MPIYDYACXDEAQH-UHFFFAOYSA-N,2,1,0.398,80,816,457.439,2.124,6,0.359,0.61,1.0,0.27523816050990335,0.30635323144404086,0.04056438900692207,0.03938215338222192,0.16538448358577204
EOS-2-11517,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5nc(C(F)F)cs5)n34)c2)cn1,YSJXFZIODNHNAS-UHFFFAOYSA-N,2,1,0.585,27,677,457.441,4.304,5,0.378,0.65,1.0,0.3203601535192927,0.5289305051058872,0.7766260023302035,0.6934497292851758,0.5798415975601399
EOS-2-11518,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)s2)cn1,WCQJYXUZFXDDLL-UHFFFAOYSA-N,2,1,0.529,27,51,457.441,4.246,5,0.393,0.72,1.0,0.5152234253992187,0.614531217874032,0.9126944691933384,0.8133181413199918,0.7139418134466453
EOS-2-11519,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(C(F)(F)F)cs4)n23)cc1,NXMQSXQKLUUCCH-UHFFFAOYSA-N,2,1,0.542,27,51,457.441,4.246,5,0.393,0.71,1.0,0.6722808580631896,0.6721609211157563,0.8567781509149476,0.6934582962099924,0.7236695565759714
EOS-2-11520,Cn1cnc(-c2cccc(C#N)c2)c1COc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,PFRUZEVOBCMPPP-UHFFFAOYSA-N,2,1,0.478,1,138,457.444,4.58,5,0.371,0.74,1.0,0.7656946062641354,0.662420327599205,0.9049585360838873,0.8687718456582825,0.8004613289013776
EOS-2-11521,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3ccc(-c4cccs4)nc3)n12,KVDWADWONYYBKG-UHFFFAOYSA-N,2,1,0.416,32,870,457.45,4.896,6,0.36,0.63,1.0,0.8026694537728737,0.7608542937427181,0.597226029744363,0.5688095401274759,0.6823898293468577
EOS-2-11522,COc1cncc(COc2cncc3nnc(-c4ccc(-c5nccc(C)n5)c(OC)n4)n23)n1,CFXPCJZGWAEXSF-UHFFFAOYSA-N,2,1,0.381,7,896,457.454,2.338,5,0.356,0.59,1.0,0.32793331505722706,0.12820402988143376,0.054160098690973886,0.014178260571585223,0.13111892605030498
EOS-2-11523,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncs6)cc5F)n34)nc2)no1,JMAVQAFZCKWPGJ-UHFFFAOYSA-N,2,1,0.341,42,572,457.454,3.869,6,0.388,0.67,1.0,0.31029401685970803,0.40764855047632104,0.23894010006168187,0.2647179768350353,0.30540016105818657
EOS-2-11524,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccncc6)o5)n34)c(F)c2)s1,FFDTXXFPEQRKJN-UHFFFAOYSA-N,2,1,0.342,3,424,457.454,3.869,6,0.388,0.65,1.0,0.26223356863820163,0.3697570420121993,0.17358303063532315,0.214875608251662,0.25511231238434656
EOS-2-11525,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(OC)n4)n23)n1,ZGTJGEYLFYTIRV-UHFFFAOYSA-N,2,1,0.369,65,456,457.454,2.072,5,0.339,0.61,0.969,0.3425142210951957,0.11171269960934822,0.08566924816667809,0.034944486327187996,0.1437101637996025
EOS-2-11526,Fc1cncc(-c2ncc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)c1,DTXNCMPHECUMKQ-UHFFFAOYSA-N,2,1,0.413,40,425,457.454,4.026,6,0.412,0.66,1.0,0.6104447947364814,0.5954783770817628,0.38988074840655196,0.37049379754643275,0.49157442944280716
EOS-2-11527,Cc1nc(-c2ncc(F)cn2)c(-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)s1,OJWMZUJXTQPJBK-UHFFFAOYSA-N,2,1,0.3,86,902,457.454,3.869,6,0.388,0.6,0.994,0.2702607771914194,0.369765608937016,0.06773867452539237,0.0990507847303132,0.20170396134603524
EOS-2-11528,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnsn6)cn5)n34)cc2F)o1,QLAKONPAXQAODE-UHFFFAOYSA-N,2,1,0.333,42,314,457.454,3.869,6,0.388,0.7,1.0,0.24336063326708246,0.3745202522102666,0.3339644301281612,0.35119251593448014,0.3257594578849976
EOS-2-11529,COc1cncc(COc2cncc3nnc(-c4ccc(-c5nn(C)c(=O)cc5C)nc4)n23)n1,DOCLTQGRRKRVTH-UHFFFAOYSA-N,2,1,0.394,92,986,457.454,1.633,5,0.37,0.7,0.999,0.2541035569871839,0.19979782057432663,0.052215406757590295,0.02256527996710301,0.13217051607155095
EOS-2-11530,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ncnn5-c5ncccc5F)n34)s2)nn1,WXRJIIZJCYRFLM-UHFFFAOYSA-N,2,1,0.234,99,794,457.458,2.795,6,0.393,0.61,0.998,0.004360564731683915,0.06859536700705915,0.031226440956754163,0.05643033376739086,0.04015317661572203
EOS-2-11531,Cc1cc(-c2nnc3cncc(-c4cnn(-c5cccc(C#N)n5)c4)n23)nc(-c2ccccn2)n1,WBKQXSBCYMYUNA-UHFFFAOYSA-N,2,1,0.292,10,664,457.461,3.071,6,0.391,0.68,0.915,0.004369131656500582,0.012687615653485026,0.1669950654513056,0.1724179288602563,0.08911743540538689
EOS-2-11532,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccc(C#N)c6)cc5)n34)cn2)n1,XMWRNTUGPLXQSC-UHFFFAOYSA-N,2,1,0.366,98,594,457.461,2.977,6,0.391,0.68,1.0,0.16040710026728805,0.1737800699061065,0.289819066547872,0.36416284010691524,0.24704226920704545
EOS-2-11533,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cn2)cc1C#N,XYNYYAYAUJEFCY-UHFFFAOYSA-N,2,1,0.268,70,421,457.461,2.977,6,0.391,0.61,0.999,0.07556027688301008,0.08934445891302858,0.30784387636214106,0.28820848468233845,0.19023927421012954
EOS-2-11534,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)cn1,KNRDLIACAUFKON-UHFFFAOYSA-N,2,1,0.301,86,812,442.533,4.439,6,0.401,0.64,0.979,0.0937307244191625,0.11465972174628196,0.20002912754437668,0.20588890411897745,0.15357711945719965
EOS-2-11535,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4csnn4)s3)n12,ADIVYXZDVXHNFM-UHFFFAOYSA-N,2,1,0.273,76,653,442.533,4.439,6,0.401,0.54,0.208,0.028039544924953738,0.022428209170036323,0.11611609896511549,0.18597937084504146,0.08814080597628675
EOS-2-11536,Cn1cc(-c2cc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)sn2)nn1,HUTGTTQPZVNALQ-UHFFFAOYSA-N,2,1,0.278,42,727,442.533,4.439,6,0.401,0.61,1.0,0.04703241724350627,0.06498012473442533,0.2105835789185114,0.30366321705160715,0.15656483448701253
EOS-2-11537,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)s4)n23)cc1,KQZOLLZHHPNEHK-UHFFFAOYSA-N,2,1,0.343,38,865,442.533,4.439,6,0.401,0.71,1.0,0.05501679117264067,0.10511616750051402,0.170104859159756,0.18598793776985814,0.1290564389006922
EOS-2-11538,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)cc1,IXVLJZARVDMRFJ-UHFFFAOYSA-N,2,1,0.329,38,865,442.533,4.439,6,0.401,0.59,1.0,0.06565691179494208,0.064988691659242,0.24596497841134946,0.2678363374683024,0.16111172983345898
EOS-2-11539,CCc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ccc(OC)nc1,KTPGIAYPQFKLMT-UHFFFAOYSA-N,2,1,0.394,49,717,457.469,3.932,5,0.362,0.71,0.909,0.5905009937632787,0.4973528202316497,0.4657494345829621,0.33518950037694467,0.47219818723870877
EOS-2-11540,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)n2)cc1F,WUILRZCKMAMWFX-UHFFFAOYSA-N,2,1,0.291,30,298,457.469,5.046,6,0.371,0.62,1.0,0.0382684531560551,0.14239085737783566,0.6868274964018916,0.779890000685354,0.41184420190528404
EOS-2-11541,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(CO)c5)n34)ccc2F)c(C)n1,PNMODCRGUPFFEL-UHFFFAOYSA-N,2,1,0.489,16,253,457.469,3.471,5,0.413,0.65,1.0,0.7799071345349873,0.701879583304777,0.6185319717634158,0.4805188129668974,0.6452093756425193
EOS-2-11542,COCc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,FRPPLECXCBLUKV-UHFFFAOYSA-N,2,1,0.522,35,4,457.469,3.55,5,0.349,0.73,1.0,0.5679100130217257,0.5425690494140224,0.5415924199849222,0.46230553080666165,0.528594253306833
EOS-2-11543,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ncccc1C,KRSBQGVBLJKSRT-UHFFFAOYSA-N,2,1,0.438,49,501,457.469,3.721,5,0.341,0.65,1.0,0.7022993626207936,0.5474607634843397,0.3598793776985813,0.25257864436981703,0.4655545370433829
EOS-2-11544,Fc1ccc(-c2cn(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nn2)c(F)c1,LKPDCDVLMQHZLI-UHFFFAOYSA-N,2,1,0.523,3,38,457.469,5.046,6,0.371,0.69,1.0,0.011762387773284902,0.2859810842300048,0.8127612912069083,0.8687804125830991,0.4948212939483243
EOS-2-11545,COCc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cn2)cn1,HTEFFZZLAUPDJA-UHFFFAOYSA-N,2,1,0.616,84,73,457.469,3.55,5,0.349,0.75,1.0,0.647642382290453,0.681918648481941,0.49006236721266533,0.42766088684805703,0.5618210712082791
EOS-2-11546,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cnc(C)nc1,HFHXKLALTJETTD-UHFFFAOYSA-N,2,1,0.528,35,4,457.469,3.721,5,0.341,0.67,1.0,0.9030481118497704,0.7992084161469399,0.6124837228428484,0.439911589335892,0.6886629600438626
EOS-2-11547,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5F)n34)cn2)c1,RUPXVXOFLGVMRF-UHFFFAOYSA-N,2,1,0.322,3,673,457.469,5.046,6,0.371,0.73,1.0,0.012601946405318348,0.24506545130559934,0.8044256733602906,0.8354036734973613,0.4743741861421424
EOS-2-11548,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4F)c3)n12,NCWWMCPDOTZKJJ-UHFFFAOYSA-N,2,1,0.337,3,673,457.469,5.046,6,0.371,0.69,1.0,0.025632239051470083,0.29644986635597287,0.8361575628812281,0.8639743677609485,0.5055535090124049
EOS-2-11549,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)c1F,HTJXTWTYSASANH-UHFFFAOYSA-N,2,1,0.308,3,668,457.469,5.046,6,0.371,0.62,1.0,0.051787060516756904,0.2755894044273867,0.8507727366184634,0.8639829346857651,0.510533034062093
EOS-2-11550,COCc1cc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,KEHZWORLJQWRSZ-UHFFFAOYSA-N,2,1,0.429,18,393,457.469,3.55,5,0.349,0.66,1.0,0.47303988760194643,0.3745288191350833,0.5552737989171407,0.48660989651154823,0.4723631005414296
EOS-2-11551,FC1(Cn2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)COCCO1,LXBXNGFOTOVEMF-UHFFFAOYSA-N,2,1,0.317,61,366,457.469,3.429,6,0.399,0.42,0.999,0.14390720307038585,0.17378863683092316,0.3636916592419985,0.49583647453909946,0.29430599342060176
EOS-2-11552,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncccc1C,BKXOFUPXTIOWES-UHFFFAOYSA-N,2,1,0.443,49,501,457.469,3.721,5,0.365,0.66,1.0,0.7177369611404291,0.5474693304091564,0.37898362003975056,0.27644609690905353,0.4801590021245974
EOS-2-11553,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cc2)cc1,UCDDPNICGUWOTL-UHFFFAOYSA-N,2,1,0.398,93,380,457.472,5.322,6,0.358,0.75,1.0,0.05013364402714002,0.36471112329518196,0.9340089781372078,0.9438438078267425,0.5731743883215681
EOS-2-11554,CN(C)c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2)cn1,WQKCNPHWOZOWNQ-UHFFFAOYSA-N,2,1,0.443,54,411,457.473,2.865,5,0.365,0.64,0.997,0.3515780275512302,0.27559797135220343,0.2070797066684943,0.11909738880131587,0.23833827359331095
EOS-2-11555,Cc1nn(C)c(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,OCMLZMPPNOTDRB-UHFFFAOYSA-N,2,1,0.379,21,810,442.526,5.834,6,0.344,0.69,1.0,0.06398636145569186,0.07938969227606059,0.578010417380577,0.64998971969022,0.34284404770063737
EOS-2-11556,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)o5)n34)cn2)cs1,AQCPRFZMBCTEAH-UHFFFAOYSA-N,2,1,0.5,28,297,457.475,4.445,6,0.357,0.65,1.0,0.39508087177026935,0.38390960180933453,0.25660509903365086,0.19430642176684257,0.3074754985950243
EOS-2-11557,COc1nc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ccn2)ncc1C#N,SCSPPVWLGXKAQK-UHFFFAOYSA-N,2,1,0.549,75,359,457.479,2.602,5,0.358,0.65,1.0,0.6188746487560826,0.38867281200740184,0.09989891028716331,0.06733602905900898,0.2936956000274142
EOS-2-11558,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5cccs5)n4)n23)cc1,GZWCKCQYLOGDMQ-UHFFFAOYSA-N,2,1,0.422,56,428,457.479,3.277,6,0.371,0.7,1.0,0.4493095058597766,0.3216623260914262,0.05786101021177438,0.052326776780206974,0.22028990473579602
EOS-2-11559,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)on4)n23)cc1,STGNQVCPJQMPSQ-UHFFFAOYSA-N,2,1,0.511,67,415,457.479,3.277,6,0.371,0.6,1.0,0.40781988897265437,0.3063617983688575,0.13605133301350147,0.11689568912343225,0.2417821773696114
EOS-2-11560,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncco6)s5)n34)nc2)n1,FQJAXRDMCWZJKS-UHFFFAOYSA-N,2,1,0.413,6,297,457.479,3.277,6,0.371,0.64,0.999,0.3103025837845247,0.19063121102049208,0.07630559934206017,0.055042491947090676,0.1580704715235419
EOS-2-11561,Cn1nc(-c2nncs2)nc1COc1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,YCBSNPQPYUGQMC-UHFFFAOYSA-N,2,1,0.424,71,415,457.479,3.277,6,0.371,0.63,1.0,0.39066033856486876,0.3552875059968474,0.03006990610650401,0.04308306490302241,0.20477520389281065
EOS-2-11562,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)s1,FQYYKGYKIDGYJK-UHFFFAOYSA-N,2,1,0.457,56,415,457.483,2.407,6,0.399,0.59,1.0,0.45839044616544444,0.35529607292166404,0.06774724145020904,0.05943732437804126,0.23521777122883972
EOS-2-11563,Cc1cc(C)nc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,LAQLSPJXRGUZKZ-UHFFFAOYSA-N,2,1,0.566,91,80,457.484,5.37,5,0.343,0.74,1.0,0.9451545473236926,0.9485727503255431,0.8778013844150504,0.8504814611746967,0.9055025358097457
EOS-2-11564,N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCc5cscc5C(F)F)n34)c2)s1,HBWWTTQVJAVXDU-UHFFFAOYSA-N,2,1,0.467,16,256,457.491,4.3,5,0.396,0.57,1.0,0.5515386196970735,0.43041943663902404,0.6895603454184086,0.5875368377767116,0.5647638098828045
EOS-2-11565,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5nc(C(F)F)cs5)n34)c2)ns1,CYXYYUSRXHXKNU-UHFFFAOYSA-N,2,1,0.536,27,921,457.491,4.591,5,0.368,0.65,1.0,0.4168065931053389,0.5567130422863409,0.3190922486464259,0.26472654375985194,0.3893346069494894
EOS-2-11566,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)o5)n34)cc2)sc1F,BSVUOCKQGGRZOU-UHFFFAOYSA-N,2,1,0.305,38,193,457.494,5.023,6,0.369,0.7,1.0,0.22711774381468028,0.3063703652936742,0.367289767664999,0.32539750531149336,0.3065438455212117
EOS-2-11567,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cc2)cc1,IRVSQJFRPPVWTK-UHFFFAOYSA-N,2,1,0.517,12,285,457.497,4.889,6,0.352,0.75,0.999,0.44931807278459324,0.4615173737235282,0.5844013432938112,0.5845555479405112,0.5199480844356109
EOS-2-11568,COc1cc(-c2ccncc2)ccc1-c1cncc2nnc(-c3cccnc3-c3cccnc3)n12,OINYWGRYEMUGKY-UHFFFAOYSA-N,2,1,0.321,41,174,457.497,4.986,6,0.36,0.75,0.999,0.21063498046741141,0.053269138510040434,0.6704475361524227,0.617829483928449,0.3880452847645809
EOS-2-11569,Cc1cccc(-c2ccc(-c3nnc4cncc(Oc5cnc(-c6ccccc6)cn5)n34)cc2)n1,ULEIKZSOBURCLW-UHFFFAOYSA-N,2,1,0.402,12,285,457.497,5.411,6,0.342,0.76,1.0,0.5991193201288465,0.4076571174011377,0.5972345966691797,0.5391422794873553,0.5357883284216298
EOS-2-11570,COc1ccncc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,PWEQZVMJUIEEQM-UHFFFAOYSA-N,2,1,0.35,93,594,457.497,4.986,6,0.36,0.69,1.0,0.29735796038653967,0.13496333356178467,0.6538705366321705,0.6264049756699335,0.4281492015626071
EOS-2-11571,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1,LPSOEDZMEABUCB-UHFFFAOYSA-N,2,1,0.326,69,645,457.497,4.986,6,0.36,0.75,1.0,0.30521383044342404,0.1998063874991433,0.7339627167431979,0.6554982523473374,0.47362029675827566
EOS-2-11572,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)c2)cc1,SUHRMSGBVCFPAP-UHFFFAOYSA-N,2,1,0.438,12,285,457.497,4.889,6,0.352,0.76,1.0,0.5079244054554177,0.3647196902199986,0.7103265711740113,0.6988297580700432,0.5704501062298677
EOS-2-11573,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)cc2)nc1,WBHDPKIAIHHVRD-UHFFFAOYSA-N,2,1,0.506,12,427,457.497,4.889,6,0.352,0.73,1.0,0.6564920156260708,0.48308889041189773,0.7464532931258995,0.7042440545541773,0.6475695634295113
EOS-2-11574,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)cn5)n34)cc2)cc1,COXYGZBBKBGNDT-UHFFFAOYSA-N,2,1,0.56,12,285,457.497,4.889,6,0.352,0.75,1.0,0.46070351586594477,0.4569426358714276,0.6570231649647043,0.6440956754163526,0.5546912480296073
EOS-2-11575,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccccn6)n5)n34)cc2)cc1,YVPLBYGHFOSWIQ-UHFFFAOYSA-N,2,1,0.553,12,285,457.497,4.889,6,0.352,0.78,1.0,0.46789973271194574,0.48776643136179837,0.5038208484682338,0.5090723733808512,0.4921398464807073
EOS-2-11576,COc1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)ccc1-c1ccncc1,CAJCIBDFCAWIAP-UHFFFAOYSA-N,2,1,0.333,69,645,457.497,4.986,6,0.36,0.71,1.0,0.22136933726269617,0.06860393393187582,0.8044342402851072,0.739531217874032,0.45848468233842776
EOS-2-11577,COc1nccnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)cc1,AGBJHCIXORCCAR-UHFFFAOYSA-N,2,1,0.322,69,220,457.497,4.986,6,0.36,0.68,1.0,0.3154855732986087,0.15753718045370435,0.47973065588376396,0.4558717702693441,0.35215629497635526
EOS-2-11578,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cccnc6)cn5)n34)cc2)cc1,OCQACOZNDMOPAI-UHFFFAOYSA-N,2,1,0.512,12,285,457.497,4.889,6,0.352,0.72,1.0,0.517844904393119,0.470135700089096,0.6244859845109999,0.6151137687615653,0.556895089438695
EOS-2-11579,COc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nc1,CLYRYYKVSASXFZ-UHFFFAOYSA-N,2,1,0.386,32,20,457.497,4.986,6,0.36,0.8,1.0,0.232489205674731,0.11759817695839901,0.6676975532862723,0.6088256459461312,0.40665264546638336
EOS-2-11580,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)c5)n34)cc2)cc1,NIDDFAPJGYFAKT-UHFFFAOYSA-N,2,1,0.537,41,285,457.497,4.889,6,0.352,0.72,1.0,0.7146271674319786,0.4701442670139127,0.7602803097800014,0.7369440065793983,0.6704989377013227
EOS-2-11581,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)nc2)cc1,CKSIFJJBFYPRFQ-UHFFFAOYSA-N,2,1,0.435,12,897,457.497,4.889,6,0.352,0.79,1.0,0.4730484545267631,0.34055239531217874,0.6483534370502364,0.6441042423411693,0.5265146323075869
EOS-2-11582,COc1nccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,JOHCBWAYUSLJDZ-UHFFFAOYSA-N,2,1,0.356,93,651,457.497,4.986,6,0.36,0.8,1.0,0.347200328969913,0.245074018230416,0.5484288259886231,0.5193012816119525,0.4150011137002262
EOS-2-11583,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)n2)cc1,JSJMPYNDQDZXFW-UHFFFAOYSA-N,2,1,0.449,28,363,457.497,4.889,6,0.352,0.71,1.0,0.3722842848331163,0.3216708930162429,0.5616304571311083,0.5590775135357412,0.45366578712905214
EOS-2-11584,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccccc6)n5)n34)cn2)cc1,LKYGWVZSFGWNST-UHFFFAOYSA-N,2,1,0.429,12,363,457.497,4.889,6,0.352,0.72,1.0,0.442207525186759,0.3932047152354191,0.5246727434720033,0.5391508464121719,0.4748089575765883
EOS-2-11585,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cccnc6)ncn5)n34)cc2)cc1,KNFSUEVOBZCPCD-UHFFFAOYSA-N,2,1,0.512,12,285,457.497,4.889,6,0.352,0.77,1.0,0.4878435336851484,0.46152594064834485,0.6538791035569872,0.6382787334658351,0.5603818278390789
EOS-2-11586,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)nc5)n34)cn2)cc1,CMKBOKHQJQQLRS-UHFFFAOYSA-N,2,1,0.512,28,363,457.497,4.889,6,0.352,0.77,1.0,0.5788842437118772,0.4304280035638407,0.5811373449386609,0.5523867452539236,0.5357090843670756
EOS-2-11587,COc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cn1,AEEFTZORVFPZFI-UHFFFAOYSA-N,2,1,0.39,69,57,457.497,4.986,6,0.36,0.74,1.0,0.19953224590500993,0.09865670618874649,0.697673223219793,0.6208536083887328,0.4041789459255706
EOS-2-11588,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cn5)n34)cc2)nc1,YVMDFAMJKQBASN-UHFFFAOYSA-N,2,1,0.62,12,120,457.497,4.889,6,0.352,0.76,1.0,0.4679082996367624,0.45695120279624424,0.6156020834761154,0.5719364676855596,0.5280995133986705
EOS-2-11589,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5cccnc5)n34)nc2)c1,QJUVGQSGPWYAHK-UHFFFAOYSA-N,2,1,0.494,41,78,457.497,4.889,6,0.352,0.79,1.0,0.48785210060996503,0.360093550818998,0.6868360633267082,0.669899252964156,0.5511702419299568
EOS-2-11590,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)cn5)n34)cc2)cc1,GRQSRMBLUGWBEB-UHFFFAOYSA-N,2,1,0.58,12,285,457.497,4.889,6,0.352,0.81,1.0,0.5491227468987732,0.49223836611609895,0.5939877321636625,0.5781988897265438,0.5533869337262696
EOS-2-11591,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)nc1,WHKBLNYDUBJBSX-UHFFFAOYSA-N,2,1,0.56,12,120,457.497,4.889,6,0.352,0.77,1.0,0.45173394558289354,0.46153450757316156,0.612492289767665,0.5782074566513604,0.5259920498937701
EOS-2-11592,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)cc1,VDQUOHLALDDPOP-UHFFFAOYSA-N,2,1,0.554,12,323,457.497,4.889,6,0.352,0.77,1.0,0.6843002535809746,0.4258961003358235,0.662548831471455,0.6292748954835172,0.6005050202179426
EOS-2-11593,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)cn2)cc1,DZOUMMZAMCEBQX-UHFFFAOYSA-N,2,1,0.483,12,363,457.497,4.889,6,0.352,0.71,1.0,0.570685696662326,0.452547803440477,0.7155266945377288,0.6934668631348091,0.6080567644438353
EOS-2-11594,COc1nc(-c2cccnc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,OSIWJYRMHJBPER-UHFFFAOYSA-N,2,1,0.326,30,737,457.497,4.986,6,0.36,0.77,1.0,0.2891765471866219,0.12096497841134946,0.5416009869097389,0.5090809403056679,0.3652058632033445
EOS-2-11595,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccncc6)n5)n34)cc2)cc1,GHVOASKSBKQLOK-UHFFFAOYSA-N,2,1,0.53,12,285,457.497,4.889,6,0.352,0.74,1.0,0.5491313138235899,0.47901103419916385,0.5907237338085121,0.5782160235761771,0.5492705263518607
EOS-2-11596,c1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)c2)c1,QDHVZAIQUCOOMB-UHFFFAOYSA-N,2,1,0.506,77,323,457.497,4.889,6,0.352,0.7,1.0,0.6843088205057912,0.47015283393872936,0.7363700226166815,0.7070540058940443,0.6494714207388116
EOS-2-11597,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)cc2)c1,YZLXPPIIRZUESD-UHFFFAOYSA-N,2,1,0.53,41,190,457.497,4.889,6,0.352,0.7,1.0,0.6661212391200055,0.4830974573367144,0.7875316976218216,0.7548574463710507,0.672901960112398
EOS-2-11598,c1ccc(-c2ncc(-c3cccc(COc4cncc5nnc(-c6ccncc6)n45)c3)cn2)cc1,SGXQHVLWFNMLEX-UHFFFAOYSA-N,2,1,0.543,41,190,457.497,4.889,6,0.352,0.7,1.0,0.5438626550613391,0.3792320608594339,0.6625573983962717,0.6208621753135495,0.5516285724076486
EOS-2-11599,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)cc1,HEHWREYJQLFOGB-UHFFFAOYSA-N,2,1,0.548,12,285,457.497,4.889,6,0.352,0.73,1.0,0.5204321156877527,0.4304365704886574,0.6704561030772394,0.6382873003906517,0.5649030224110754
EOS-2-11600,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cc1,YACZKWIPNYXRML-UHFFFAOYSA-N,2,1,0.529,12,427,457.497,4.889,6,0.352,0.72,1.0,0.5515471866218902,0.43044513741347407,0.5683297923377424,0.5523953121787403,0.5256793571379618
EOS-2-11601,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)cn1,ZJLRHLWKPBIWLK-UHFFFAOYSA-N,2,1,0.325,30,93,457.497,4.986,6,0.36,0.81,1.0,0.3130268658762251,0.21417312041669523,0.6330443424028511,0.5688181070522925,0.43226560893701604
EOS-2-11602,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccccc6)ncn5)n34)cn2)cc1,NCNUQSRIMITMQB-UHFFFAOYSA-N,2,1,0.466,12,363,457.497,4.889,6,0.352,0.7,1.0,0.42858611472825714,0.40766568432595435,0.565117195531492,0.5622644095675416,0.4909083510383113
EOS-2-11603,COc1nc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1-c1ccnn1C(C)C,LKGVKQFTIKDBMY-UHFFFAOYSA-N,2,1,0.427,31,456,457.498,3.051,5,0.346,0.58,0.994,0.26749366047563566,0.049396888492906584,0.10234905078473032,0.03594681653073813,0.11379660407100267
EOS-2-11604,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnn(C)c5C#N)cc4)n23)cc1,DARLBIFELSGEIV-UHFFFAOYSA-N,2,1,0.31,9,98,457.501,4.131,6,0.394,0.7,1.0,0.16041566719210473,0.13862997738331848,0.5907323007333287,0.5360838873278048,0.3564654581591392
EOS-2-11605,Cc1cc(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)nn1,MRWBUNJETKIDDA-UHFFFAOYSA-N,2,1,0.307,38,983,457.501,4.384,6,0.384,0.63,1.0,0.12470015763141663,0.09569255020217943,0.36729833458981564,0.3285587005688438,0.22906243574806384
EOS-2-11606,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(C)nn6)cn5)n34)cc2)cn1,NMDGDHAJCRUVSH-UHFFFAOYSA-N,2,1,0.303,38,193,457.501,4.384,6,0.384,0.66,1.0,0.08195976972106092,0.10512473442533068,0.3973768076211363,0.3351980673017614,0.22991484476732232
EOS-2-11607,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)nc6)cn5)n34)cc2)nn1,QJYZTMONKQTBFJ-UHFFFAOYSA-N,2,1,0.307,38,787,457.501,4.384,6,0.384,0.74,1.0,0.12178740319374957,0.10513330135014735,0.4372472757179083,0.3641714070317319,0.2570848468233843
EOS-2-11608,Cc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccc6C)nc5)n34)n2)n1,PSGQVFRKPUCWGE-UHFFFAOYSA-N,2,1,0.316,76,368,457.501,4.384,6,0.384,0.59,1.0,0.10861147282571448,0.08624323212939483,0.26047734905078473,0.23212939483243095,0.17186536220958126
EOS-2-11609,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)nn6)cc5)n34)cc2)nn1,OUIFAZWLPBMHGR-UHFFFAOYSA-N,2,1,0.324,9,894,457.501,4.384,6,0.384,0.68,1.0,0.155069906106504,0.13497190048660132,0.40445308751970394,0.3705023644712494,0.26624931464601465
EOS-2-11610,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(C)nn6)cn5)n34)cc2)nn1,CPONPAWUYMGTKK-UHFFFAOYSA-N,2,1,0.319,38,270,457.501,4.384,6,0.384,0.72,1.0,0.08888184497292852,0.11466828867109863,0.3862226715098348,0.33520663422657804,0.23124485984511
EOS-2-11611,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(C)n6)cc5)n34)cn2)nn1,APWIBSCJYMOWMI-UHFFFAOYSA-N,2,1,0.322,38,532,457.501,4.384,6,0.384,0.73,1.0,0.10095264203961346,0.11760674388321568,0.31156192173257485,0.29118977451853884,0.20532777054348572
EOS-2-11612,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)nc6)cn5)n34)cc2)n1,VUVKKEIMKUIAME-UHFFFAOYSA-N,2,1,0.311,42,170,457.501,4.384,6,0.384,0.7,1.0,0.12756151052018366,0.09866527311356316,0.4446233979850593,0.367521074635049,0.2595928140634638
EOS-2-11613,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)c(C)n1,YSIGGKRVEOXHQS-UHFFFAOYSA-N,2,1,0.295,42,170,457.501,4.384,6,0.384,0.64,1.0,0.14391576999520253,0.09235144952367898,0.47280858063189635,0.39903022411075323,0.27702650606538276
EOS-2-11614,Cc1cccc(C)c1CCOc1cncc2nnc(-c3ccc(F)c(-c4cnn(C)c4)c3)n12,XKIDDZSWIGWHTM-UHFFFAOYSA-N,2,1,0.598,91,545,442.498,4.569,5,0.385,0.66,1.0,0.6188832156808992,0.672169488040573,0.7578815708313343,0.655506819272154,0.6761102734562402
EOS-2-11615,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)c1,UGYRDPUOWCZPDO-UHFFFAOYSA-N,2,1,0.455,21,452,442.497,6.931,6,0.297,0.83,1.0,0.3747601261051333,0.6192687272976493,0.9617058460694949,0.9748218079638133,0.7326391268590227
EOS-2-11616,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)ccc1-c1ccccc1,DYAKSCWPXJPIED-UHFFFAOYSA-N,2,1,0.412,21,452,442.497,6.931,6,0.297,0.85,1.0,0.4013689945857035,0.6192772942224659,0.9576365567815777,0.9715492426838462,0.7374580220683984
EOS-2-11617,c1cc(-c2nnc3cncc(-c4ccc(-c5cncs5)nn4)n23)cc(-c2nncs2)n1,RXTWSUFVVXHXDY-UHFFFAOYSA-N,2,1,0.329,70,887,442.493,3.285,6,0.405,0.64,0.999,0.0622729764923583,0.12821259680625044,0.07856726749366047,0.10740353642656432,0.09411409430470838
EOS-2-11618,c1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)nc5)n34)cn2)s1,JWCNVIIAIGRHIP-UHFFFAOYSA-N,2,1,0.315,70,887,442.493,3.285,6,0.405,0.6,1.0,0.05694434925639093,0.14989548351723667,0.09732026591734631,0.1279298882873004,0.10802249674456858
EOS-2-11619,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4nc(C)cnc4C)n23)ncn1,JEPNILJNSNZNHD-UHFFFAOYSA-N,2,1,0.337,31,296,442.487,2.493,5,0.374,0.52,0.933,0.24904907134534987,0.020200808717702693,0.01809334521280241,0.00902953875676787,0.07409319100815571
EOS-2-11620,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,SWQQARSMYQXOHZ-UHFFFAOYSA-N,2,1,0.338,69,645,442.486,4.681,6,0.391,0.8,1.0,0.17400280995133988,0.13863854430813516,0.6923959975327256,0.6470255637036529,0.41301572887396343
EOS-2-11621,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,NRKMTPVKLSBJLV-UHFFFAOYSA-N,2,1,0.301,69,645,442.486,4.681,6,0.391,0.74,1.0,0.13046569803303407,0.13864711123295181,0.6570317318895209,0.6178380508532657,0.3859956480021931
EOS-2-11622,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)cn1,BSKVTYONRJXIOK-UHFFFAOYSA-N,2,1,0.305,69,645,442.486,4.681,6,0.391,0.83,1.0,0.13592282914125145,0.09867384003837983,0.6895689123432253,0.6582996367623878,0.3956163045713111
EOS-2-11623,Cc1ncc(-c2nnc3cncc(-c4cccc(-c5cnccn5)c4)n23)c(-c2ccccc2)n1,PYKPOUQBTQTJBQ-UHFFFAOYSA-N,2,1,0.338,30,220,442.486,4.681,6,0.391,0.73,1.0,0.1550784730313207,0.0862517990542115,0.4262302104036735,0.4591529024741279,0.2816783462408334
EOS-2-11624,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccccc6)ncn5)n34)cc2)n1,JXUPELYERLUFSX-UHFFFAOYSA-N,2,1,0.337,30,594,442.486,4.681,6,0.391,0.8,1.0,0.12757007744500035,0.08626036597902817,0.5108457268179014,0.502578644369817,0.30681370365293675
EOS-2-11625,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)nc5)n34)cc2)nn1,QDZSQTLDQFWILU-UHFFFAOYSA-N,2,1,0.318,69,270,442.486,4.681,6,0.391,0.77,1.0,0.08889041189774519,0.12464875608251662,0.5074617915153177,0.48052737989171407,0.3003820848468234
EOS-2-11626,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)n1,OGZPVAZEPYFXGW-UHFFFAOYSA-N,2,1,0.311,69,898,442.486,4.681,6,0.391,0.76,1.0,0.13047426495785072,0.09236001644849565,0.6271417312041669,0.6023918854088136,0.36309197450483177
EOS-2-11627,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)n1,RRAQUORRFBBWDJ-UHFFFAOYSA-N,2,1,0.326,32,479,442.486,4.681,6,0.391,0.73,1.0,0.11394010006168186,0.09236858337331232,0.5108542937427181,0.4866184634363649,0.3009453601535193
EOS-2-11628,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cc2)nn1,XAWQCTYYICUORY-UHFFFAOYSA-N,2,1,0.333,69,152,442.486,4.681,6,0.391,0.82,1.0,0.06040538688232472,0.06088513467205812,0.490070934137482,0.4805359468165307,0.2729743506270989
EOS-2-11629,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)nn1,PWUYFMSGFHZZSD-UHFFFAOYSA-N,2,1,0.315,38,270,442.486,4.681,6,0.391,0.72,1.0,0.077522102666027,0.10514186827496402,0.5074703584401343,0.48662703036118155,0.2941903399355767
EOS-2-11630,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,KLARYPKQDYXRRY-UHFFFAOYSA-N,2,1,0.301,69,645,442.486,4.681,6,0.391,0.74,1.0,0.1304828318826674,0.1386556781577685,0.6570402988143376,0.6178466177780824,0.3860063566582139
EOS-2-11631,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)cn5)n34)cc2)n1,UIESTXRXOARATQ-UHFFFAOYSA-N,2,1,0.295,38,532,442.486,4.681,6,0.391,0.71,1.0,0.10862003975053115,0.10515043519978069,0.5416095538345556,0.5127304502775684,0.31702761976560895
EOS-2-11632,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)nn1,XXNGLMNWUTYRHC-UHFFFAOYSA-N,2,1,0.32,38,818,442.486,4.681,6,0.391,0.73,1.0,0.10365979028168049,0.12097354533616612,0.5780189843053938,0.5558649167294908,0.3396293091631828
EOS-2-11633,N=c1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)cc1,WKMNNUPGKKAWBP-UHFFFAOYSA-N,2,1,0.327,93,991,442.486,4.185,6,0.442,0.76,0.999,0.007101980673017614,0.032562881228154344,0.5683383592625592,0.6088342128709479,0.3042093585086697
EOS-2-11634,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cc2)cn1,DNMOEHYAPKVBNI-UHFFFAOYSA-N,2,1,0.299,69,645,442.486,4.681,6,0.391,0.73,1.0,0.13049139880748406,0.11761531080803235,0.6424936604756357,0.6120553766020149,0.3756639366732918
EOS-2-11635,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nc2)cn1,BSEPPXXUSQNYGC-UHFFFAOYSA-N,2,1,0.315,30,515,442.486,4.681,6,0.391,0.8,1.0,0.10096120896443013,0.09237715029812898,0.5038294153930505,0.5059111781235008,0.3007697381947776
EOS-2-11636,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)nc2)n1,IWOVSRMRXJWKPX-UHFFFAOYSA-N,2,1,0.248,32,696,442.486,4.681,6,0.391,0.66,0.876,0.05502535809745734,0.045884449318072784,0.5811459118634775,0.5622729764923583,0.3110821739428415
EOS-2-11637,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)nc1,NDXHHFSGETYERZ-UHFFFAOYSA-N,2,1,0.301,32,170,442.486,4.681,6,0.391,0.82,1.0,0.08889897882256186,0.07939825920087726,0.6096395038037146,0.5965492426838462,0.34362149612774995
EOS-2-11638,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)n1,MXYHJJTWRXBTIO-UHFFFAOYSA-N,2,1,0.299,38,170,442.486,4.681,6,0.391,0.75,1.0,0.10611849770406415,0.10515900212459735,0.6125008566924817,0.5719450346103763,0.34893084778287986
EOS-2-11639,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)cn1,BJQCDHGLYPZJLF-UHFFFAOYSA-N,2,1,0.309,41,170,442.486,4.681,6,0.391,0.82,1.0,0.11394866698649853,0.11762387773284902,0.6761616750051401,0.6324189568912343,0.3850382941539305
EOS-2-11640,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cc2)nn1,DFLRRFBOSSUXHV-UHFFFAOYSA-N,2,1,0.324,69,220,442.486,4.681,6,0.391,0.78,1.0,0.12470872455623329,0.10516756904941402,0.48673840038379823,0.5090895072304845,0.3064260503049825
EOS-2-11641,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)cc2)nn1,IRQYYLCTBIBLTR-UHFFFAOYSA-N,2,1,0.361,69,898,442.486,4.681,6,0.391,0.78,1.0,0.14100301555753547,0.12465732300733329,0.4797392228085806,0.48375711054759785,0.30728916798026185
EOS-2-11642,Cc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c2)nn1,LXEZYICBBCPLNV-UHFFFAOYSA-N,2,1,0.299,9,598,442.486,4.681,6,0.391,0.81,1.0,0.10862860667534782,0.11467685559591528,0.6300373517922007,0.6120639435268316,0.36635168939757384
EOS-2-11643,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cc2)nn1,IMPMORIMNLGTMH-UHFFFAOYSA-N,2,1,0.295,9,598,442.486,4.681,6,0.391,0.72,1.0,0.11678431910081558,0.10850866972791447,0.6300459187170173,0.6120725104516482,0.3668528544993489
EOS-2-11644,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)nn1,OKLNVGFCEVZQBY-UHFFFAOYSA-N,2,1,0.297,9,645,442.486,4.681,6,0.391,0.79,1.0,0.10863717360016449,0.1282211637310671,0.6455434857103695,0.617855184702899,0.375064251936125
EOS-2-11645,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)cn5)n34)cc2)nn1,LATPOUMKKQTVSJ-UHFFFAOYSA-N,2,1,0.31,38,818,442.486,4.681,6,0.391,0.76,1.0,0.08638886985127818,0.10182646837091358,0.5651257624563086,0.5430230964293057,0.32409104927695154
EOS-2-11646,Cc1ccc(-c2ccnc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)n2)cn1,NTHTVLCJUUMMMF-UHFFFAOYSA-N,2,1,0.295,30,371,442.486,4.681,6,0.391,0.71,1.0,0.08413576862449455,0.07587725310122678,0.3561184977040642,0.37720169967788364,0.2233333047769173
EOS-2-11647,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)nc2)cc1,IDBVIFQFDOXJQL-UHFFFAOYSA-N,2,1,0.3,32,170,442.486,4.681,6,0.391,0.76,0.999,0.14392433692001919,0.12466588993214996,0.639469536015352,0.615122335686382,0.38079552463847577
EOS-2-11648,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)n1,COMKEMUEXONSLF-UHFFFAOYSA-N,2,1,0.322,38,532,442.486,4.681,6,0.391,0.72,1.0,0.17983688575149065,0.11468542252073195,0.47593550818998015,0.4399201562607087,0.30259449318072784
EOS-2-11649,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)nn1,MDOKVNKKUVNCBM-UHFFFAOYSA-N,2,1,0.297,9,645,442.486,4.681,6,0.391,0.79,1.0,0.10864574052498115,0.12822973065588375,0.6455520526351861,0.6178637516277157,0.3750728188609417
EOS-2-11650,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1,XDCPZLSEPGXHQV-UHFFFAOYSA-N,2,1,0.301,38,983,442.486,4.681,6,0.391,0.76,1.0,0.1967736961140429,0.13866424508258515,0.46575800150777874,0.4369817010485916,0.3095444109382496
EOS-2-11651,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cn1,ZVBUOXHHELFSER-UHFFFAOYSA-N,2,1,0.36,32,57,442.486,4.681,6,0.391,0.81,1.0,0.1139572339113152,0.12467445685696663,0.5907408676581455,0.5430316633541225,0.34310105544513747
EOS-2-11652,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)nn1,SGVQCJQRPVTICM-UHFFFAOYSA-N,2,1,0.383,93,651,442.486,4.681,6,0.391,0.79,1.0,0.1767613597423069,0.15392193818107053,0.437255842642725,0.4805445137413474,0.31212091357686245
EOS-2-11653,CC(C)(O)C#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)s1,YYUNMRGXZSHIFP-UHFFFAOYSA-N,2,1,0.547,89,409,457.515,4.209,5,0.395,0.64,1.0,0.5733757110547598,0.4215526694537729,0.6839918442875745,0.4653039544924954,0.5360560448221506
EOS-2-11654,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(OC)n5)n34)cn2)cn1,ASXKKINJSSENGE-UHFFFAOYSA-N,2,1,0.439,87,860,442.483,3.095,5,0.361,0.7,1.0,0.32036872044410936,0.16923959975327257,0.14515797409361936,0.06914365019532588,0.1759774861215818
EOS-2-11655,COCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)cn1,YHSHYDCBLFDXCB-UHFFFAOYSA-N,2,1,0.521,87,860,442.483,2.713,5,0.343,0.75,1.0,0.3515865944760469,0.18651052018367487,0.13015728873963403,0.09301966965937906,0.1903185182646837
EOS-2-11656,COCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cc2)cn1,OQLZQIHKPVUQJY-UHFFFAOYSA-N,2,1,0.479,15,519,442.483,2.713,5,0.343,0.72,1.0,0.4013775615105202,0.24994859845109998,0.16069837571105475,0.12793845521211705,0.234990747721198
EOS-2-11657,COc1cc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)ccc1-c1nncn1C,CJINAINDHHHHGG-UHFFFAOYSA-N,2,1,0.5,15,771,442.483,2.92,5,0.379,0.73,1.0,0.40138612843533683,0.13137379206360084,0.16394524021657186,0.08543794119662806,0.1955357754780344
EOS-2-11658,Cc1cccc(CCOc2cncc3nnc(-c4cccc(-c5nc(CO)n(C)n5)c4)n23)n1,NZBMGFFEHGQYPG-UHFFFAOYSA-N,2,1,0.5,15,561,442.483,2.404,5,0.408,0.61,0.999,0.4145020903296553,0.26512918922623535,0.05971146597217463,0.04309163182783908,0.19560859433897607
EOS-2-11659,CCOc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccn(C)n1,IMOCZYKARGFCRI-UHFFFAOYSA-N,2,1,0.443,49,773,442.483,3.002,5,0.361,0.61,1.0,0.32037728736892607,0.08279932835309438,0.13605989993831813,0.07490062367212666,0.15353428483311632
EOS-2-11660,COCCn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccn2)c1,OEVRHJPHPWMDBM-UHFFFAOYSA-N,2,1,0.538,75,819,442.483,2.713,5,0.343,0.66,0.994,0.38403810568158453,0.14239942430265232,0.1360684668631348,0.0969775889246796,0.1898708964430128
EOS-2-11661,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cncc(OC)c4)n23)c1,VJRZQJLZFTWNRW-UHFFFAOYSA-N,2,1,0.517,15,931,442.483,3.095,5,0.361,0.69,1.0,0.2106435473922281,0.08280789527791105,0.14813926392981974,0.09497292851757932,0.13414090877938456
EOS-2-11662,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1OC,TZWPFNAGMMKERY-UHFFFAOYSA-N,2,1,0.442,26,771,442.483,3.095,5,0.361,0.65,1.0,0.372292851757933,0.11763244465766569,0.16700363237612226,0.08729696388184498,0.18605647316839147
EOS-2-11663,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(OC)c5)n34)cn2)cn1,GHPUGXVCADCRTG-UHFFFAOYSA-N,2,1,0.462,65,468,442.483,3.095,5,0.361,0.74,1.0,0.21584367075594543,0.14598039887601946,0.24248680693578234,0.129977383318484,0.18357206497155779
EOS-2-11664,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cc1,OELLSSISIXBQCN-UHFFFAOYSA-N,2,1,0.494,12,695,442.482,5.708,6,0.34,0.85,1.0,0.6019549722431636,0.4615430744979782,0.7440631211020492,0.7285141525597971,0.634018830100747
EOS-2-11665,Oc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cc1,KTGWZKHVHREYKI-UHFFFAOYSA-N,2,1,0.373,93,651,442.482,5.288,6,0.399,0.73,1.0,0.2566136659584676,0.21418168734151188,0.760288876704818,0.7819460626413542,0.503257573161538
EOS-2-11666,c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccccc6)nn5)n34)cc2)cc1,UGZUBZQQLQPREC-UHFFFAOYSA-N,2,1,0.436,21,47,442.482,5.708,6,0.34,0.7,1.0,0.6630371461860051,0.5380714138852717,0.7155352614625454,0.7341426221643479,0.6626966109245425
EOS-2-11667,O=c1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)n[nH]1,YQRAAPMSHLYBIH-UHFFFAOYSA-N,2,1,0.342,21,810,442.482,4.876,6,0.421,0.83,1.0,0.3700825851552327,0.24000239873894866,0.7697210609279693,0.8024124460283737,0.5455546227126311
EOS-2-11668,c1ccc(Oc2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)cc1,FRUPRUZYYRDYNI-UHFFFAOYSA-N,2,1,0.381,17,960,442.482,5.708,6,0.34,0.83,1.0,0.23815194297854841,0.18651908710849155,0.7875402645466384,0.777362757864437,0.49739351312452884
EOS-2-11669,c1ccc(Oc2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cc1,BJDOYMKBSZADDA-UHFFFAOYSA-N,2,1,0.381,17,960,442.482,5.708,6,0.34,0.82,1.0,0.26488074840655196,0.17800356384072374,0.8393787266122953,0.8314200534576108,0.5284207730792955
EOS-2-11670,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2)ccn1,GNCOHIMAVHKFSN-UHFFFAOYSA-N,2,1,0.329,38,653,457.519,5.239,6,0.337,0.68,1.0,0.13318998012473443,0.3307946679459941,0.6215817969981495,0.6758961003358235,0.44036563635117537
EOS-2-11671,Fc1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)cc1,QTKPDKKDWPOJGJ-UHFFFAOYSA-N,2,1,0.375,32,20,457.519,5.239,6,0.36,0.66,1.0,0.25956925502021794,0.4171492700980056,0.4867469673086149,0.5782245905009937,0.43542252073195803
EOS-2-11672,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)s3)n12,AJOWLGJCAUFXRA-UHFFFAOYSA-N,2,1,0.32,76,653,457.519,5.239,6,0.36,0.78,0.998,0.10366835720649716,0.24508258515523268,0.5484373929134397,0.6208707422383661,0.3795147693783839
EOS-2-11673,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc(-c4csnn4)s3)n12,FZZYBQSCUMIMQE-UHFFFAOYSA-N,2,1,0.342,76,653,457.519,5.239,6,0.36,0.67,1.0,0.127578644369817,0.31666780892330887,0.5449849222123226,0.6208793091631828,0.4025276711671578
EOS-2-11674,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(-c3ccc(-c4csnn4)cc3)n12,YATASJHMICYVMU-UHFFFAOYSA-N,2,1,0.347,69,152,457.519,5.239,6,0.36,0.77,1.0,0.11396580083613186,0.3012730450277568,0.6271502981289836,0.6699078198889726,0.4280742409704612
EOS-2-11675,Fc1cncc(-c2csc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)c1,ZCXLELBUBDNXKM-UHFFFAOYSA-N,2,1,0.321,32,126,457.519,5.239,6,0.36,0.6,1.0,0.21879925981769585,0.4030481118497704,0.5282537180453705,0.5845641148653279,0.4336663011445412
EOS-2-11676,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccns6)s5)n34)cc2)cc1,QQZBGWYZLDPXSW-UHFFFAOYSA-N,2,1,0.408,93,641,457.519,5.239,6,0.36,0.72,1.0,0.19132513193064218,0.4304537043382907,0.4262387773284902,0.5815228565554109,0.4073851175382085
EOS-2-11677,Fc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)cc1,DMIFHIQSOMGZMI-UHFFFAOYSA-N,2,1,0.351,38,653,457.519,5.239,6,0.36,0.69,1.0,0.15508703995613735,0.3115190871084915,0.5416181207593722,0.6151309026111987,0.4058387876088
EOS-2-11678,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)cc1,HQEXHHBEAGRALQ-UHFFFAOYSA-N,2,1,0.351,32,653,457.519,5.239,6,0.36,0.57,0.962,0.11397436776094853,0.32167945994105956,0.4933263655678158,0.6024004523336303,0.38284516140086355
EOS-2-11679,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2)c1,SKALPWFCWIJFHD-UHFFFAOYSA-N,2,1,0.333,38,653,457.519,5.239,6,0.36,0.64,1.0,0.13049996573230074,0.28598965115482144,0.5780275512302104,0.6470341306284696,0.4103878246864505
EOS-2-11680,Fc1ccc(-c2cscc2-c2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)cc1,XITPSEQSRYZFBI-UHFFFAOYSA-N,2,1,0.351,42,693,457.519,5.239,6,0.36,0.67,0.987,0.16865704886573915,0.33566068124186144,0.6156106504009321,0.7016225755602769,0.4553877390172024
EOS-2-11681,Fc1cccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cnsc5)cn4)n23)c1,VNPIRABWOIAHIB-UHFFFAOYSA-N,2,1,0.387,32,20,457.519,5.239,6,0.36,0.65,1.0,0.21065211431704475,0.3012816119525735,0.5002998423685834,0.6056730176135974,0.40447664656294974
EOS-2-11682,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,VZKZZRXSQUTDPZ-UHFFFAOYSA-N,2,1,0.342,69,152,457.519,5.239,6,0.36,0.73,1.0,0.17128709478445617,0.30637893221849083,0.6924045644575423,0.7285227194846138,0.4746483277362758
EOS-2-11683,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,OCEPNNXGOWXENH-UHFFFAOYSA-N,2,1,0.338,9,38,457.519,5.239,6,0.36,0.73,1.0,0.21326502638612843,0.3261256939209102,0.7053063532314441,0.7421526968679323,0.49671244260160374
EOS-2-11684,COc1cc(-c2nnc3cncc(OCCc4c(C)cccc4C)n23)ccc1-c1ncon1,MHSIMEREPWOCMP-UHFFFAOYSA-N,2,1,0.58,15,604,442.479,4.088,5,0.372,0.7,1.0,0.5386282639983552,0.22956788431224728,0.42624734425330685,0.2617623877732849,0.36405147008429856
EOS-2-11685,Cc1scnc1-c1ccc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)c(F)c1,NFAVIIOIEFMULA-UHFFFAOYSA-N,2,1,0.553,1,230,442.479,4.813,5,0.388,0.72,1.0,0.9451631142485094,0.9023713247892536,0.8523490507847303,0.8155198409978754,0.8788508327050922
EOS-2-11686,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(C)noc5C)n34)cc2)nc1,NMPKHUULQIIILA-UHFFFAOYSA-N,2,1,0.566,15,201,442.479,4.088,5,0.372,0.74,1.0,0.42618737577959015,0.2964584332807895,0.24597354533616614,0.15363066273730383,0.2805625042834624
EOS-2-11687,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)c1,YMFIRMJVAMLACB-UHFFFAOYSA-N,2,1,0.372,21,538,457.522,5.515,6,0.346,0.74,1.0,0.1009697758892468,0.22445343019669659,0.8538311287780138,0.8719673086148996,0.5128054108697142
EOS-2-11688,N#Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)c1,XNXYSPYIKPCRER-UHFFFAOYSA-N,2,1,0.333,32,479,457.522,5.515,6,0.346,0.74,1.0,0.14653724898910286,0.29131827839078883,0.7766345692550202,0.7798985676101706,0.49859716606127064
EOS-2-11689,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)nn5)n34)cc2)cc1,PSNYUYNZLXZKFP-UHFFFAOYSA-N,2,1,0.431,93,74,457.522,5.515,6,0.346,0.75,1.0,0.1995408128298266,0.40305667877458706,0.7741844287574532,0.8087776711671578,0.5463898978822562
EOS-2-11690,FC(F)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccsc5)cs4)n23)cn1,VIPFJFSPGWXANC-UHFFFAOYSA-N,2,1,0.518,27,69,442.476,4.888,5,0.373,0.7,1.0,0.5309351655129875,0.6529110410527037,0.6215903639229662,0.552403879103557,0.5894601123980536
EOS-2-11691,FC(F)c1ccc(-c2nnc3cncc(OCc4csc(-c5ccsc5)n4)n23)cn1,HUJZSLUIMZFTEH-UHFFFAOYSA-N,2,1,0.518,27,69,442.476,4.888,5,0.373,0.69,1.0,0.5259663491193202,0.6192858611472826,0.6156192173257488,0.5330254951682544,0.5734742306901515
EOS-2-11692,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccsc5)ns4)n23)cn1,RWWRRBUZPAXRGH-UHFFFAOYSA-N,2,1,0.506,27,69,442.476,4.888,5,0.373,0.64,1.0,0.6049448290041807,0.6478051538619697,0.670464670002056,0.6056815845384141,0.6322240593516552
EOS-2-11693,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)s4)n23)cn1,HCOGNKYSCMAWLP-UHFFFAOYSA-N,2,1,0.543,27,69,442.476,4.888,5,0.373,0.68,1.0,0.5259749160441368,0.6192944280720992,0.6361884038105682,0.5654855732986087,0.5867358303063532
EOS-2-11694,Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(F)cc5)cc4)n23)c(F)c1,YQHOURBIAIKEEK-UHFFFAOYSA-N,2,1,0.716,83,497,442.469,5.666,5,0.34,0.81,1.0,0.9789853334247138,0.9878692344595984,0.9533359605236105,0.9504746076348434,0.9676662840106915
EOS-2-11695,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)on5)n34)nc2)cs1,WBQUGRSGANZOMJ-UHFFFAOYSA-N,2,1,0.258,70,652,442.468,3.069,6,0.405,0.68,0.736,0.0427146871359057,0.06861250085669249,0.04354567884312247,0.04310019875265575,0.0494932663970941
EOS-2-11696,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)o5)n34)cc2)n[nH]1,GLDYURMOHXNGSU-UHFFFAOYSA-N,2,1,0.506,81,425,442.464,3.872,6,0.413,0.66,1.0,0.5128760879994517,0.5017647865122336,0.33397299705297784,0.2733363032006031,0.40548754369131657
EOS-2-11697,c1cc(COc2cncc3nnc(-c4ccc(-c5cnco5)s4)n23)cc(-c2ncc[nH]2)n1,AORDYMLUJKSRJV-UHFFFAOYSA-N,2,1,0.364,6,181,442.464,3.872,6,0.413,0.58,0.985,0.4285946816530738,0.27042354876293606,0.2752124597354534,0.23213796175724763,0.3015921629771777
EOS-2-11698,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)s5)n34)cc2)o1,HALVFFDATMVJQQ-UHFFFAOYSA-N,2,1,0.53,41,25,457.54,5.815,6,0.314,0.63,1.0,0.5178534713179357,0.542577616338839,0.6361969707353848,0.5875454047015284,0.571043365773422
EOS-2-11699,CCn1nc(C)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1-c1ccccc1,BUORLJOXPYEKEE-UHFFFAOYSA-N,2,1,0.269,30,737,457.541,5.712,6,0.331,0.64,0.999,0.028048111849770407,0.01846172297991913,0.29714378726612295,0.3928020697690357,0.18411392296621204
EOS-2-11700,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)nnc1C,SAHILFRNHBFXMY-UHFFFAOYSA-N,2,1,0.465,87,838,442.458,3.416,5,0.394,0.47,1.0,0.5233962716743198,0.5243900349530533,0.28620382427523816,0.2495202522102666,0.3958775957782195
EOS-2-11701,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1cncnc1,QKSIQMDZVHHJFK-UHFFFAOYSA-N,2,1,0.398,7,690,442.458,3.627,5,0.393,0.62,0.915,0.4878606675347817,0.5017733534370502,0.32271605784387636,0.25580837502570075,0.39203961346035227
EOS-2-11702,Cc1cc(C)nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)n1,WLEUFGWGYMECGT-UHFFFAOYSA-N,2,1,0.558,75,359,442.458,3.416,5,0.394,0.59,1.0,0.7359245425262148,0.6145397847988486,0.3078524432869577,0.24655609622369953,0.4762182167089301
EOS-2-11703,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)c(C)n1,XKEIKAKNSVAPNN-UHFFFAOYSA-N,2,1,0.489,87,304,442.458,3.416,5,0.394,0.63,1.0,0.7685987937769858,0.8034147762319238,0.2971523541909396,0.2380834075800151,0.526812332944966
EOS-2-11704,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)nc(C)n1,PLCYFBGJISQZTO-UHFFFAOYSA-N,2,1,0.523,58,981,442.458,3.416,5,0.369,0.66,1.0,0.7912754437667056,0.8338530601055445,0.3300407785621273,0.24952881913508326,0.5511745253923651
EOS-2-11705,Cc1cn(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C5(F)COC5)nc4)n23)cn1,JFFPYLBOHURKBW-UHFFFAOYSA-N,2,1,0.353,82,974,442.458,3.152,6,0.422,0.61,0.995,0.2078935645260777,0.37924062778425055,0.38988931533136867,0.322287711603043,0.32482780481118495
EOS-2-11706,Cc1ncc(-c2nnc3cncc(OCCc4ccccn4)n23)c(-c2cnc(C)c(F)c2)n1,IRNKAILNTXNGSZ-UHFFFAOYSA-N,2,1,0.544,87,796,442.458,3.416,5,0.394,0.64,0.999,0.7146357343567953,0.6236292920293331,0.2459821122609828,0.2058974710437941,0.4475361524227264
EOS-2-11707,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ncn2)c(C)n1,GPTFVPUSSQMLJR-UHFFFAOYSA-N,2,1,0.408,46,238,442.458,3.682,5,0.406,0.62,0.917,0.610453361661298,0.45695976972106095,0.41120382427523816,0.2824343773559043,0.4402628332533754
EOS-2-11708,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nc(C)n2)cn1,SIZOLTSNILQNQV-UHFFFAOYSA-N,2,1,0.45,18,531,442.458,3.416,5,0.369,0.68,1.0,0.6691624974299225,0.5755688438078267,0.35239188540881367,0.2764546638338702,0.46839447262010825
EOS-2-11709,CCc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccnc(F)n1,GBIZUDBMRSHUFX-UHFFFAOYSA-N,2,1,0.443,18,690,442.458,3.361,5,0.354,0.6,0.973,0.6505637036529367,0.6145483517236653,0.22097525872112947,0.18889212528270852,0.41874485984511
EOS-2-11710,NCc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)ncc1F,LLPQUSUTDFMTEI-UHFFFAOYSA-N,2,1,0.527,35,393,442.458,2.863,5,0.409,0.73,1.0,0.6133832499485985,0.42590466726064014,0.5003084092934,0.43992872318552534,0.494881262422041
EOS-2-11711,CCc1nc(-c2nnc3cncc(OCc4ncnc(C)c4F)n23)ccc1-c1ccccn1,CTKMDNKJHQCRBA-UHFFFAOYSA-N,2,1,0.417,46,690,442.458,3.627,5,0.393,0.61,0.656,0.5234048385991364,0.49224693304091566,0.1701134260845727,0.1412343225275855,0.3317498800630526
EOS-2-11712,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnnc5)n34)ccc2F)c(C)n1,OHJKXNRCGGVMEG-UHFFFAOYSA-N,2,1,0.534,37,545,442.458,3.416,5,0.394,0.65,1.0,0.8820848468233843,0.8798917140703173,0.4518110479062436,0.37051093139606606,0.6460746350490028
EOS-2-11713,Cc1csc(-c2nc(C)sc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)n1,DAPFYFMRVDYIAA-UHFFFAOYSA-N,2,1,0.286,38,299,457.544,5.31,6,0.354,0.61,0.999,0.10612706462888082,0.10183503529573025,0.09262559111781235,0.1214618600507162,0.10551238777328491
EOS-2-11714,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)s5)n34)cc2)n[nH]1,BOSGBETUFAQMAB-UHFFFAOYSA-N,2,1,0.495,81,763,457.544,4.945,6,0.381,0.58,1.0,0.5541001302172572,0.570454389692276,0.4335292303474745,0.4020286477965869,0.49002809951339865
EOS-2-11715,Cc1cnc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(CO)cc4)n23)n1,SSPXMTBLRHSDTE-UHFFFAOYSA-N,2,1,0.548,1,230,442.454,3.767,5,0.427,0.76,1.0,0.8545764512370639,0.8228531286409431,0.6425022274004524,0.602409019258447,0.7305852066342267
EOS-2-11716,Fc1cccc(OCc2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2)c1,GUDQKTPLABQSLE-UHFFFAOYSA-N,2,1,0.575,11,846,442.454,3.921,5,0.36,0.82,1.0,0.8820934137482009,0.9225464327325064,0.6895774792680419,0.6441128092659859,0.7845825337536838
EOS-2-11717,COc1ccccc1CCOc1cncc2nnc(-c3cccc(-c4ccc(F)nn4)c3)n12,SWYODGOBNPKJOL-UHFFFAOYSA-N,2,1,0.579,79,613,442.454,4.018,5,0.376,0.74,1.0,0.9193681036255226,0.8110907408676582,0.6538876704818039,0.5524124460283737,0.7341897402508396
EOS-2-11718,COc1nc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1ccc(F)nc1,ANARSTHJYHTYRG-UHFFFAOYSA-N,2,1,0.542,11,198,442.454,4.018,5,0.352,0.81,1.0,0.8310431087656774,0.6193029949969159,0.57507196216846,0.4866355972859982,0.6280134158042628
EOS-2-11719,Fc1ccccc1COc1cncc2nnc(-c3ccc(-c4cnn(C5COC5)c4)cc3)n12,JBYGZIJWKOJTMZ-UHFFFAOYSA-N,2,1,0.523,43,322,442.454,3.944,6,0.396,0.73,1.0,0.5788928106366938,0.5659310533890755,0.6868446302515249,0.6903656363511754,0.6305085326571174
EOS-2-11720,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(COc5ccccc5)cn4)n23)c1,HNNFUMQIIUXNHP-UHFFFAOYSA-N,2,1,0.453,11,159,442.454,3.921,5,0.36,0.78,0.994,0.7450568843807827,0.6575543143033377,0.5939962990884792,0.5524210129531903,0.6372571276814475
EOS-2-11721,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ccccn1,USTQLSXQLCUMEV-UHFFFAOYSA-N,2,1,0.56,11,777,442.454,4.018,5,0.376,0.72,1.0,0.9332293879788911,0.8304091563292441,0.6244945514358166,0.5224967445685696,0.7276574600781304
EOS-2-11722,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1cnccn1,DVPVGGPIGDEGNY-UHFFFAOYSA-N,2,1,0.679,11,313,442.454,4.018,5,0.376,0.74,1.0,0.9124117606743883,0.8110993077924749,0.7286940579809471,0.6324275238160509,0.7711581625659653
EOS-2-11723,OCc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)c1,IVUVZSALBUSMNY-UHFFFAOYSA-N,2,1,0.511,35,161,442.454,3.501,5,0.412,0.78,1.0,0.8452727708861627,0.7524844081968337,0.7650178192036187,0.7100438626550614,0.7682047152354191
EOS-2-11724,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ccccc1,KBCNKOZEFXKLQY-UHFFFAOYSA-N,2,1,0.448,11,198,442.454,4.018,5,0.376,0.75,0.994,0.7628760879994517,0.6002330203550134,0.48322596120896444,0.439937290110342,0.5715680899184429
EOS-2-11725,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccccc1,WEOHWKULAJKTTR-UHFFFAOYSA-N,2,1,0.489,11,198,442.454,4.018,5,0.352,0.73,1.0,0.8262113631690768,0.6236378589541498,0.5416266876841889,0.4685165512987458,0.6149981152765404
EOS-2-11726,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1ccc(F)cc1,HIPITUSZGKQRSX-UHFFFAOYSA-N,2,1,0.605,91,955,442.454,4.018,5,0.376,0.7,1.0,0.9556490302241107,0.8956205880337195,0.7489120005482832,0.6788516893975739,0.8197583270509218
EOS-2-11727,COc1cc(-c2nnc3cncc(OCc4ccnc(C)c4)n23)ccc1-c1ccc(F)nc1,QLXUGHDKVMUZKW-UHFFFAOYSA-N,2,1,0.484,97,83,442.454,4.283,5,0.363,0.65,1.0,0.8452813378109794,0.7390857377835652,0.802506682201357,0.6525769309848537,0.7598626721951889
EOS-2-11728,COc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)c1,FHWRQKOAGJUSHF-UHFFFAOYSA-N,2,1,0.505,11,275,442.454,4.018,5,0.376,0.83,0.999,0.9013946953601535,0.8601278185182647,0.6394781029401686,0.5688266739771092,0.7424568226989241
EOS-2-11729,Fc1ccc(OCc2ccccc2-c2nnc3cncc(OCCc4cncnc4)n23)cc1,YXCRRPAYTKMULK-UHFFFAOYSA-N,2,1,0.563,11,309,442.454,3.921,5,0.36,0.74,0.999,0.8209427044068262,0.7390943047083819,0.702856212733877,0.6641765471866219,0.7317674422589266
EOS-2-11730,COc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)c1,RPMDCLFWTIODSJ-UHFFFAOYSA-N,2,1,0.562,11,275,442.454,4.018,5,0.376,0.8,1.0,0.9494037420327599,0.9152131450894387,0.6597303132067713,0.5654941402234254,0.7724603351380989
EOS-2-11731,COc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4cccc(C)n4)nc3)n12,LKJVDIWSLIXDEJ-UHFFFAOYSA-N,2,1,0.457,24,786,442.454,4.283,5,0.388,0.75,1.0,0.810448221506408,0.765394763895552,0.6787146186005072,0.5391594133369886,0.698429254334864
EOS-2-11732,OCc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cc1F,CVWLHXBUHMVGPB-UHFFFAOYSA-N,2,1,0.584,11,655,442.454,3.501,5,0.412,0.65,1.0,0.7771657185936536,0.6283496676033171,0.6271588650538003,0.5906294976355287,0.6558259372215749
EOS-2-11733,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)nc2C)cc1,RFJMQGUNCHKXQE-UHFFFAOYSA-N,2,1,0.436,97,348,442.454,4.283,5,0.388,0.71,0.999,0.7912840106915222,0.6425022274004524,0.7415187444314989,0.6178723185525323,0.6982943252690015
EOS-2-11734,Fc1cc(-c2nc3ccccc3s2)ncc1-c1cncc2nnc(-c3ccccc3F)n12,RYRCJYONBXDHHB-UHFFFAOYSA-N,2,1,0.408,30,298,442.454,5.408,6,0.367,0.71,1.0,0.24625625385511618,0.547477897333973,0.7415273113563156,0.8272308272222603,0.5906230724419163
EOS-2-11735,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccccn1,MBQJQIBOKPMMAP-UHFFFAOYSA-N,2,1,0.539,11,729,442.454,4.018,5,0.352,0.73,1.0,0.9354824892056748,0.8228616955657597,0.6924131313823589,0.5782331574258104,0.7572476183949008
EOS-2-11736,COc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cc1,UFBTZQPBIANWLA-UHFFFAOYSA-N,2,1,0.733,91,309,442.454,4.018,5,0.376,0.78,1.0,0.9700414639161127,0.9152217120142554,0.6787231855253238,0.5558734836543074,0.7799649612774998
EOS-2-11737,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccccn1,MURIGKUJDBVEJJ-UHFFFAOYSA-N,2,1,0.528,11,777,442.454,4.018,5,0.352,0.71,1.0,0.9298368857514906,0.8228702624905764,0.6512147899390035,0.5430402302789391,0.7367405421150024
EOS-2-11738,COc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1ccccn1,NFBXSYVDCVRWCY-UHFFFAOYSA-N,2,1,0.568,11,729,442.454,4.018,5,0.352,0.74,1.0,0.9108697142073882,0.807381262422041,0.6924216983071757,0.5782417243506272,0.747228599821808
EOS-2-11739,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cncnc4)c(F)c3)n12,RXSANWJGDJXPAM-UHFFFAOYSA-N,2,1,0.6,91,215,442.454,4.018,5,0.376,0.7,1.0,0.9219724487697896,0.8717103008703996,0.772102666027003,0.6699163868137893,0.8089254506202453
EOS-2-11740,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccc(F)nc1,CCWNKCPFEAYROG-UHFFFAOYSA-N,2,1,0.628,11,955,442.454,4.018,5,0.352,0.67,1.0,0.9207816462202728,0.8601363854430814,0.6787317524501405,0.5719536015351929,0.7579008464121719
EOS-2-11741,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)cc1=O,MQHIQTQFYCNULN-UHFFFAOYSA-N,2,1,0.539,35,655,442.454,3.313,5,0.401,0.72,1.0,0.5335480775820711,0.37453738605989995,0.6976817901446097,0.6583082036872044,0.5660188643684463
EOS-2-11742,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)cc1=O,MCARKBHCBBPMKY-UHFFFAOYSA-N,2,1,0.663,91,660,442.454,3.313,5,0.401,0.78,1.0,0.4951425536289494,0.4304622712631074,0.6330529093276678,0.6208878760879994,0.544886402576931
EOS-2-11743,OCc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)c(F)c2)cn1,TYKUZVIOIGNXRB-UHFFFAOYSA-N,2,1,0.727,91,660,442.454,3.501,5,0.412,0.73,1.0,0.8287214721403605,0.860144952367898,0.6483620039750532,0.6178808854773491,0.7387773284901652
EOS-2-11744,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cccnc1,KZMBYBFNOTYRSQ-UHFFFAOYSA-N,2,1,0.58,11,103,442.454,4.018,5,0.376,0.72,1.0,0.9108782811322048,0.8440391337125626,0.6868531971763416,0.6024175861832637,0.7610470495510931
EOS-2-11745,Cc1cc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cc2)ccn1,ZXPFZMJBOMHLCA-UHFFFAOYSA-N,2,1,0.616,11,275,442.454,4.443,5,0.368,0.75,1.0,0.9433469261873758,0.9187684188883558,0.6761702419299568,0.5815314234802276,0.7799542526214791
EOS-2-11746,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)c1,UVJWIYRYDHBUPI-UHFFFAOYSA-N,2,1,0.682,91,215,442.454,4.018,5,0.376,0.71,1.0,0.9485898841751764,0.9372130080186416,0.8044428072099239,0.710052429579878,0.850074532245905
EOS-2-11747,Cc1cnc(-c2nn(C)cc2-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)cn1,VIZNTDLQGGPWBD-UHFFFAOYSA-N,2,1,0.275,86,812,457.548,4.142,6,0.392,0.51,1.0,0.030258378452470702,0.022436776094852992,0.0904838599136454,0.09302823658419573,0.059051812761291206
EOS-2-11748,OCc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)c(F)c4)n23)cc1,KEOLHDODTHLWPK-UHFFFAOYSA-N,2,1,0.614,79,590,442.45,4.794,5,0.39,0.82,1.0,0.9637190734014118,0.915230278939072,0.932406963196491,0.8928106366938524,0.9260417380577068
EOS-2-11749,N#Cc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)c1,KBNAKHKUMJTJFV-UHFFFAOYSA-N,2,1,0.282,30,158,442.446,3.368,6,0.407,0.74,0.873,0.02135734356795285,0.0828164622027277,0.31547700637379206,0.43071071208279077,0.21259038105681585
EOS-2-11750,N#Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)cn1,GIUSCUJXIHRTLW-UHFFFAOYSA-N,2,1,0.321,30,705,442.446,3.368,6,0.407,0.67,1.0,0.022462476869302996,0.07240764855047632,0.43726440956754165,0.47459050099376326,0.25168125899527105
EOS-2-11751,N#Cc1cnn(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)n1,WUMNKKXDDHLUCY-UHFFFAOYSA-N,2,1,0.325,93,594,442.446,3.368,6,0.407,0.61,1.0,0.06399492838050853,0.09238571722294565,0.3154855732986087,0.41169213898978824,0.22088958947296278
EOS-2-11752,Fc1cc(-c2ncccn2)cnc1-c1nnc2cncc(-c3ncn(-c4cccs4)n3)n12,PZJWGJLMUMOMBL-UHFFFAOYSA-N,2,1,0.248,86,852,442.443,3.092,6,0.409,0.5,1.0,0.03679494208758824,0.16146939894455486,0.08317627304502775,0.12794702213693374,0.10234690905352614
EOS-2-11753,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4)n23)ccc1-c1csnn1,OZWIAGBDUBNMLJ-UHFFFAOYSA-N,2,1,0.329,9,340,442.443,3.296,6,0.441,0.75,1.0,0.21327359331094511,0.32613426084572683,0.4296569803303406,0.4958450414639161,0.3662274689877322
EOS-2-11754,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cn3)n12,RYKHYQFUFJCEGS-UHFFFAOYSA-N,2,1,0.321,98,154,442.443,3.296,6,0.441,0.64,1.0,0.19954937975464326,0.3115276540333082,0.34872524158727985,0.3957833596052361,0.3138964087451168
EOS-2-11755,CCOc1ncncc1COc1cncc2nnc(-c3cc(-c4cnc(C)cn4)ncn3)n12,IINKUCOEFJNNFY-UHFFFAOYSA-N,2,1,0.388,7,296,442.443,2.114,5,0.366,0.5,0.998,0.34252278802001235,0.11469398944554862,0.05786957713659105,0.024192995682269892,0.13481983757110547
EOS-2-11756,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)cc1,SPCYMKOVHVLAJM-UHFFFAOYSA-N,2,1,0.403,69,152,442.442,4.442,6,0.393,0.73,1.0,0.2622421355630183,0.2964670002056062,0.7464618600507162,0.7395397847988486,0.5111776951545474
EOS-2-11757,N#Cc1ccnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)n1,MTCDWKVADLQCKO-UHFFFAOYSA-N,2,1,0.326,93,651,442.442,4.442,6,0.393,0.65,1.0,0.3227417586183264,0.2964755671304229,0.4900795010622987,0.5360924542526215,0.41134732026591736
EOS-2-11758,N#Cc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)o2)c1,DVSJJPZHVUBWTD-UHFFFAOYSA-N,2,1,0.345,93,641,442.442,4.442,6,0.393,0.73,1.0,0.17129566170927285,0.2756065382770201,0.6330614762524844,0.6699249537386059,0.43747215749434587
EOS-2-11759,Fc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)no2)nn1,JBIAHRTWTNTMNJ-UHFFFAOYSA-N,2,1,0.338,38,787,442.439,4.166,6,0.4,0.67,1.0,0.29996230553080666,0.3982335001028031,0.31157048865739156,0.38997498457953533,0.34993531971763414
EOS-2-11760,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4[N+](=O)[O-])n23)cc1,FMKYYNPBUPWNFE-UHFFFAOYSA-N,2,1,0.646,91,309,442.439,3.117,5,0.278,0.77,1.0,0.7146443012816119,0.24509115208004933,0.16701219930093894,0.06240148036460832,0.29728728325680215
EOS-2-11761,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc([N+](=O)[O-])cc5)n34)c2)cn1,GNXHRWIXEMIENI-UHFFFAOYSA-N,2,1,0.563,18,840,442.439,3.117,5,0.278,0.77,1.0,0.4261959427044068,0.018470289904735798,0.3115790555822082,0.11910595572613254,0.21883781097937086
EOS-2-11762,COc1cncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(OC)c4)n23)n1,DHXFQUJGCXOWDO-UHFFFAOYSA-N,2,1,0.447,7,248,442.439,2.634,5,0.372,0.68,1.0,0.43281817558769103,0.24995716537591667,0.27522102666027004,0.12998595024330067,0.2719955794667946
EOS-2-11763,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(-c3cccc(-c4nnco4)n3)n12,PMXORTDHNMGPDP-UHFFFAOYSA-N,2,1,0.342,76,653,442.439,4.166,6,0.4,0.68,1.0,0.24626482077993284,0.39321328216023577,0.36370022616681513,0.4020372147214036,0.35130388595709683
EOS-2-11764,COc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c(=O)c5)nc4)n23)cn1,HVYBLSUBRGQJKW-UHFFFAOYSA-N,2,1,0.457,55,600,442.439,1.93,5,0.388,0.75,1.0,0.3354293742718114,0.1780121307655404,0.23528202316496472,0.12376636282639984,0.21812247275717908
EOS-2-11765,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,GCANKJBSJQOADA-UHFFFAOYSA-N,2,1,0.382,9,340,442.439,4.166,6,0.4,0.7,1.0,0.22137790418751285,0.36977417586183264,0.5780361181550271,0.6024261531080803,0.44290358782811323
EOS-2-11766,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)s3)n12,UHIINIVKAZCJSZ-UHFFFAOYSA-N,2,1,0.296,70,596,442.439,4.166,6,0.4,0.66,1.0,0.31303543280104174,0.3745459529847166,0.4554348571036941,0.4837656774724145,0.40669548009046674
EOS-2-11767,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnco6)s5)n34)cn2)nc1,LTIYGXICHLYZOK-UHFFFAOYSA-N,2,1,0.312,86,902,442.439,4.166,6,0.4,0.71,1.0,0.3130439997258584,0.37455451990953326,0.3524004523336303,0.39281063669385236,0.3582024021657186
EOS-2-11768,Fc1nc(-c2nncs2)ccc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,VEDLUPIZJVUGPB-UHFFFAOYSA-N,2,1,0.325,9,38,442.439,4.166,6,0.375,0.7,1.0,0.31798711534507573,0.4171578370228223,0.41496470426975535,0.45588033719416077,0.40149749845795357
EOS-2-11769,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(-c3ccc(-c4nnco4)nc3)n12,HAEIBYVBJSJWCA-UHFFFAOYSA-N,2,1,0.325,32,572,442.439,4.166,6,0.4,0.65,1.0,0.28633232814748816,0.4030652456994037,0.44102528956205883,0.4623140977314783,0.39818424028510724
EOS-2-11770,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)s2)nn1,HPCFSOSRTDNSCJ-UHFFFAOYSA-N,2,1,0.338,42,725,442.439,4.166,6,0.4,0.61,1.0,0.25411212391200055,0.3405609622369954,0.36370879309163184,0.4117007059146049,0.3425206462888082
EOS-2-11771,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c(=O)c5)nc4)n23)c1,NQONZVYYDHYCTR-UHFFFAOYSA-N,2,1,0.448,92,600,442.439,1.93,5,0.388,0.72,1.0,0.26225070248783494,0.22446199712151327,0.23173531629086422,0.13230758686861765,0.21268890069220753
EOS-2-11772,Fc1cccc(C=CCOc2cncc3nnc(-c4ccc(F)c(-c5ccnnc5)c4)n23)c1,RRYXCTTVUDJXKG-UHFFFAOYSA-N,2,1,0.517,91,202,442.429,4.619,5,0.382,0.66,1.0,0.9247138647111233,0.9295884449318073,0.9060722363100542,0.8861113014872182,0.9116214618600507
EOS-2-11773,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5nnc6ccccn56)n34)cn2)cc1F,LQVFSQIPBRXECN-UHFFFAOYSA-N,2,1,0.392,71,617,442.418,2.348,6,0.4,0.64,1.0,0.49276951545473235,0.470161400863546,0.13300150777876774,0.15363922966212049,0.3123929134397917
EOS-2-11774,Cn1nc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1-c1cnc(C#N)cn1,FHDILWFXSVZWCK-UHFFFAOYSA-N,2,1,0.414,31,569,442.418,2.009,5,0.362,0.65,1.0,0.5178620382427523,0.3886813789322185,0.22098382564594612,0.21488417517647865,0.33560285449934896
EOS-2-11775,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnc5ccccn45)n23)c(F)c1,JQYDGFYGYCXSTM-UHFFFAOYSA-N,2,1,0.426,36,765,442.418,2.348,6,0.4,0.7,1.0,0.5204406826125694,0.5659396203138921,0.15747721197998765,0.2059060379686108,0.36244088821876497
EOS-2-11776,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nnc6ccccn56)n34)c(F)c2)nn1,JLCIEXFLDIKGIP-UHFFFAOYSA-N,2,1,0.426,36,820,442.418,2.348,6,0.4,0.72,1.0,0.4237029675827565,0.5017819203618669,0.18639915016105818,0.23214652868206428,0.3360076416969365
EOS-2-11777,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4nc(C#N)ncc4F)n23)ccn1,NCRKJXYQEUPOSN-UHFFFAOYSA-N,2,1,0.42,7,624,442.418,2.449,5,0.389,0.65,1.0,0.44434925639092593,0.3982420670276198,0.21059214584332808,0.1696508121444726,0.3057085703515866
EOS-2-11778,N#CCc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)n[nH]1,GATZSAZNWJOSRN-UHFFFAOYSA-N,2,1,0.465,65,904,442.418,2.193,5,0.401,0.56,1.0,0.6843173874306079,0.7391028716331985,0.23529059008978137,0.24086765814543212,0.47489462682475503
EOS-2-11779,Cn1nc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)nc1C(F)F,KRQODJDESBJCOC-UHFFFAOYSA-N,2,1,0.396,31,395,442.415,2.35,5,0.39,0.54,0.176,0.34949626482077994,0.2550630525666507,0.05787814406140772,0.049756699335206635,0.17804854019601124
EOS-2-11780,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)c(F)c5)n34)o2)n1C,HIXWOFVBVOGEIB-UHFFFAOYSA-N,2,1,0.325,98,314,442.414,3.949,6,0.403,0.68,0.998,0.2675022274004523,0.3166763758481256,0.2933229387978891,0.31916078404495923,0.29916558152285655
EOS-2-11781,Cc1nnc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)s2)o1,ZSLXDWCAXITLEB-UHFFFAOYSA-N,2,1,0.5,27,69,442.411,3.518,5,0.389,0.63,0.99,0.5963779041875128,0.5567216092111575,0.20003769446919334,0.16686656157905558,0.3800009423617298
EOS-2-11782,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)c(F)c4)n23)cc1,WOZYFWZNIPALQW-UHFFFAOYSA-N,2,1,0.598,1,326,442.41,4.48,5,0.282,0.82,1.0,0.968096771982729,0.5808460694948941,0.789716263450072,0.6056901514632308,0.7360873140977315
EOS-2-11783,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccn5)c4)n23)cc1,LCKBEQVXEKNAPJ-UHFFFAOYSA-N,2,1,0.554,1,709,442.41,4.48,5,0.282,0.77,1.0,0.9685593859228291,0.5861318621067781,0.7415358782811322,0.5491484476732232,0.7113438934959906
EOS-2-11784,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)s4)n23)cc1,YYVJUTULCUCNAF-UHFFFAOYSA-N,2,1,0.684,72,996,442.407,4.083,5,0.372,0.79,1.0,0.8287300390651772,0.8688660818312659,0.7155438283873621,0.6470426975532863,0.7650456617092728
EOS-2-11785,FC(F)Oc1ccc(-c2nnc3cncc(OCc4noc(-c5ccsc5)n4)n23)cc1,UIVNPMPRVNSRGI-UHFFFAOYSA-N,2,1,0.628,27,996,442.407,4.083,5,0.372,0.75,1.0,0.7628846549242684,0.7295935850866972,0.6068124186142142,0.562281543417175,0.6653930505105886
EOS-2-11786,Fc1ccc(-c2nn3ccccc3c2-c2cncc3nnc(-c4ccccc4F)n23)cc1F,OCGLLUXWKVZMGM-UHFFFAOYSA-N,2,1,0.397,83,480,442.404,5.19,6,0.379,0.72,1.0,0.267510794325269,0.5334110067850044,0.9201990953327394,0.9543468576519772,0.6688669385237475
EOS-2-11787,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)no1,VIASTFODUJVBRR-UHFFFAOYSA-N,2,1,0.443,92,728,442.403,1.334,6,0.396,0.69,1.0,0.2973665273113563,0.24509971900486602,0.01982386402576931,0.01711671578370228,0.14485170653142349
EOS-2-11788,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)no1,GOUWQOLDHYDYJF-UHFFFAOYSA-N,2,1,0.495,56,447,442.403,1.334,6,0.396,0.6,1.0,0.28918511411143855,0.24001096566376534,0.030078473031320677,0.030686724693304093,0.14749031937495719
EOS-2-11789,Fc1cccc(-c2nc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cs2)c1,CCAZEUKLRGZKFL-UHFFFAOYSA-N,2,1,0.48,96,140,442.401,5.135,5,0.362,0.78,1.0,0.23249777259954765,0.5567301761359742,0.9641131519429785,0.9389435268316085,0.6730711568775273
EOS-2-11790,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)no1,FBSUKYPGTNZRKW-UHFFFAOYSA-N,2,1,0.517,6,843,442.399,2.204,6,0.374,0.73,1.0,0.2595778219450346,0.18206428620382428,0.03778013844150504,0.039390720307038586,0.1297032417243506
EOS-2-11791,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccoc6)no5)n34)cc2)n1,OWDMXFIFUYWAIH-UHFFFAOYSA-N,2,1,0.472,56,614,442.399,2.204,6,0.374,0.62,1.0,0.42148413405523955,0.2599461997121513,0.036469398944554865,0.03173188952093756,0.1874079055582208
EOS-2-11792,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)no1,UAXRSCQSGIZNRB-UHFFFAOYSA-N,2,1,0.56,56,415,442.399,2.204,6,0.374,0.65,1.0,0.35159516140086355,0.19981495442395997,0.05972003289699129,0.06241004728942499,0.16838504900280996
EOS-2-11793,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nnco6)nn5C)n34)cc2)o1,BOVOIUXJCIUOSN-UHFFFAOYSA-N,2,1,0.371,67,622,442.399,2.726,6,0.388,0.66,1.0,0.3253118360633267,0.19063977794530876,0.0559934206017408,0.03495305325200466,0.15172452196559524
EOS-2-11794,Cn1c(COc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)nnc1-c1ccoc1,AXSBWPCNVQIUJQ-UHFFFAOYSA-N,2,1,0.376,71,502,442.399,2.204,6,0.374,0.59,1.0,0.34009834829689534,0.1865276540333082,0.02666883695428689,0.02604345144267014,0.14483457268179015
EOS-2-11795,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)o5)n34)nc2)n1,QYXGNLVDIBQYRX-UHFFFAOYSA-N,2,1,0.402,80,843,442.399,2.204,6,0.374,0.67,0.817,0.3179956822698924,0.16147796586937152,0.08318483996984442,0.05505105887190734,0.15442738674525391
EOS-2-11796,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccoc6)no5)n34)cc2)o1,BMJBOKAYOKPRIX-UHFFFAOYSA-N,2,1,0.446,56,415,442.395,3.372,6,0.374,0.66,1.0,0.46559522993626207,0.3457439517510794,0.09049242683846206,0.07287882941539305,0.24367760948529912
EOS-2-11797,COc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc([N+](=O)[O-])cc5)n34)cn2)cn1,ZROCYZHAHVUHLU-UHFFFAOYSA-N,2,1,0.462,13,374,442.395,3.352,5,0.283,0.74,1.0,0.6843259543554245,0.28599821807963816,0.2752295935850867,0.07288739634020971,0.3296102905900897
EOS-2-11798,Fc1cc(-c2nnc3cncc(-c4cc(F)c(-c5nc[nH]n5)cn4)n23)ccc1-c1cc[nH]n1,FCTJTFHXWAAZQT-UHFFFAOYSA-N,2,1,0.307,96,154,442.393,3.307,6,0.429,0.63,1.0,0.28363374683023784,0.3792491947090672,0.6096480707285313,0.6499982866150367,0.48063232472071826
EOS-2-11799,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5F)n34)nn2)c1,BNHABMMGMIEZTF-UHFFFAOYSA-N,2,1,0.319,10,783,442.393,3.102,6,0.446,0.65,1.0,0.04861729833458982,0.240019532588582,0.5484459598382565,0.6264135425947502,0.36587408333904464
EOS-2-11800,Fc1cccc(F)c1-n1cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nn1,RJXROCSJJSUUJB-UHFFFAOYSA-N,2,1,0.31,3,783,442.393,3.102,6,0.446,0.58,1.0,0.029196079775203894,0.21419025426632857,0.507478925364951,0.5845726817901447,0.333859485299157
EOS-2-11801,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1F,PYQMSFHIECDJLV-UHFFFAOYSA-N,2,1,0.306,3,7,442.393,3.102,6,0.446,0.57,1.0,0.06967479953395929,0.2704321156877527,0.5517956274415736,0.5965578096086629,0.3721150880679871
EOS-2-11802,Fc1cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)ccc1-c1nc[nH]n1,XLHFJIRACSMEDM-UHFFFAOYSA-N,2,1,0.347,47,7,442.393,3.307,6,0.429,0.65,1.0,0.3516037283256802,0.4259132341854568,0.642510794325269,0.6699335206634227,0.5224903193749573
EOS-2-11803,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccco6)c(F)c5)n34)n2)nc1,FRQNEZYZNFQREP-UHFFFAOYSA-N,2,1,0.307,10,871,442.389,3.972,6,0.407,0.64,1.0,0.05336337468302378,0.21419882119114522,0.5907494345829621,0.6612552258241382,0.37989171407031735
EOS-2-11804,N#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)c(F)c1,LQOBATAVDLFOQZ-UHFFFAOYSA-N,2,1,0.435,55,390,442.389,3.372,5,0.381,0.74,1.0,0.6903827702008087,0.8150486601329586,0.8044513741347405,0.7773713247892536,0.7718135323144404
EOS-2-11805,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5F)n34)cn2)c1,PVEXTOJTXASVLN-UHFFFAOYSA-N,2,1,0.329,3,673,442.389,3.972,6,0.407,0.74,1.0,0.06228154341717497,0.265137756151052,0.7513278733465835,0.7819546295661709,0.46517545062024535
EOS-2-11806,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccno5)cn4)n23)ccc1-c1n[nH]cc1F,PMIGOJGOXOQOHT-UHFFFAOYSA-N,2,1,0.329,42,680,442.389,4.177,6,0.436,0.64,1.0,0.36776951545473235,0.39825063395243643,0.762584812555685,0.7749982866150367,0.5759008121444726
EOS-2-11807,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)cc1,FBEAILPREGFSSO-UHFFFAOYSA-N,2,1,0.325,10,783,442.389,3.972,6,0.407,0.73,1.0,0.03827702008087177,0.15393050510588718,0.5811544787882942,0.7016311424850935,0.36874828661503667
EOS-2-11808,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)cc1F,SOAJSBXNTJUTCL-UHFFFAOYSA-N,2,1,0.317,3,783,442.389,3.972,6,0.407,0.68,1.0,0.14101158248235213,0.3216880268658762,0.7260383112877802,0.7548660132958673,0.48590098348296895
EOS-2-11809,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(F)n5)n4)n23)c(F)c1,YCJGVDTXUQHDMS-UHFFFAOYSA-N,2,1,0.447,24,401,442.389,3.372,5,0.381,0.69,1.0,0.7359331094510314,0.8372027277088616,0.7602974436296347,0.757556027688301,0.7727473271194573
EOS-2-11810,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5ccc6ncnn6c5)c4)n23)c(F)c1,PLEYNVKEDYMDAJ-UHFFFAOYSA-N,2,1,0.442,13,110,442.389,3.967,6,0.408,0.69,1.0,0.6598588170790213,0.6193115619217325,0.7856983757110547,0.7936399150161059,0.7146271674319785
EOS-2-11811,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5c(F)cccc5F)nn4)n23)cn1,KIHRXDLRVCURJJ-UHFFFAOYSA-N,2,1,0.483,54,691,442.389,3.372,5,0.407,0.69,0.894,0.7912925776163389,0.6967651291892263,0.7741929956822698,0.7750068535398533,0.759314389006922
EOS-2-11812,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)cc1F,RMMBFRZTRXKWOM-UHFFFAOYSA-N,2,1,0.313,3,158,442.389,3.972,6,0.407,0.69,1.0,0.06968336645877596,0.25507161949146734,0.609656637653348,0.7042526214789939,0.4096660612706463
EOS-2-11813,Fc1cc(-c2nnc3cncc(-c4cnn(-c5cccnc5F)c4)n23)ccc1-c1cnco1,SHVDJWZFDQEKNF-UHFFFAOYSA-N,2,1,0.326,42,673,442.389,3.972,6,0.381,0.7,1.0,0.0569529161812076,0.24002809951339868,0.7578901377561511,0.7575645946131176,0.45310893701596877
EOS-2-11814,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)c(F)c1,QELYKFUBCWPABK-UHFFFAOYSA-N,2,1,0.325,3,150,442.389,3.972,6,0.407,0.68,1.0,0.07753066959084368,0.27044068261256937,0.7603060105544514,0.7773798917140703,0.4714143136179837
EOS-2-11815,Fc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3F)n12,DWTIHOVRRRTHAF-UHFFFAOYSA-N,2,1,0.31,3,192,442.389,4.177,6,0.436,0.67,1.0,0.3305547940511274,0.412446028373655,0.7625933794805017,0.765394763895552,0.5677472414502089
EOS-2-11816,Fc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)c(F)c5)n34)cn2)c1,XVQLHQYSBJTITC-UHFFFAOYSA-N,2,1,0.314,42,673,442.389,3.972,6,0.407,0.78,1.0,0.08639743677609485,0.255080186416284,0.7960814885888562,0.8024210129531903,0.4849950311836063
EOS-2-11817,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(F)c6)n5)n34)o2)cc1,LSCYTQFZEGYJCD-UHFFFAOYSA-N,2,1,0.294,3,158,442.389,3.972,6,0.407,0.79,0.999,0.024544239599753274,0.14990405044205332,0.5212545404701528,0.667037900075389,0.3406851826468371
EOS-2-11818,Fc1cc(-c2nnc3cncc(-c4ccc(-n5cccn5)cc4)n23)cc(F)c1-c1nnco1,QOIYDJGLIHSYCD-UHFFFAOYSA-N,2,1,0.321,3,673,442.389,3.972,6,0.407,0.6,1.0,0.13593139606606813,0.24510828592968267,0.7312898362003976,0.7421612637927489,0.46362269549722435
EOS-2-11819,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)nn2)cc1,MKZJCLJUDLFKAT-UHFFFAOYSA-N,2,1,0.441,54,691,442.389,3.372,5,0.407,0.67,0.99,0.7450654513055993,0.7159550407785621,0.8044599410595573,0.802429579878007,0.7669775032554315
EOS-2-11820,Fc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)co1,ARWQLTGBPRXKTL-UHFFFAOYSA-N,2,1,0.333,9,834,442.389,4.177,6,0.436,0.65,1.0,0.3906689054896854,0.4701699677883627,0.7557655404016175,0.7497943938043999,0.5915997018710164
EOS-2-11821,N#Cc1cncc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)c1F,QPNRPKOZCJTMNM-UHFFFAOYSA-N,2,1,0.477,55,525,442.389,3.372,5,0.381,0.68,1.0,0.8565468439448976,0.8034233431567405,0.8656706188746488,0.8272393941470769,0.8382200500308409
EOS-2-11822,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)on1,UGUTVMYOOWDTKJ-UHFFFAOYSA-N,2,1,0.536,36,51,442.361,3.173,5,0.408,0.74,1.0,0.8026780206976903,0.6193201288465492,0.8006647933657735,0.6818929477074909,0.7261389726543759
EOS-2-11823,Cn1nc(-c2nnco2)cc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,GCKHALFFTMYNKT-UHFFFAOYSA-N,2,1,0.488,36,51,442.361,3.173,5,0.408,0.7,1.0,0.6994037420327599,0.6283582345281338,0.8180984853676924,0.6819015146323076,0.7069404941402234
EOS-2-11824,Cn1cnnc1-c1ncc(COc2cncc3nnc(-c4ccc(C(F)F)c(F)c4)n23)o1,DAHXUUKQMRUAGF-UHFFFAOYSA-N,2,1,0.489,36,51,442.361,3.231,5,0.394,0.6,1.0,0.7713916112672196,0.6868874648756083,0.6035826879583305,0.552429579878007,0.6535728359947913
EOS-2-11825,Cn1cc(-c2cncc3nnc(-c4ccc(F)c(F)c4F)n23)c(-c2ccc(F)c(F)c2)n1,BAPMHGLPUDZXRM-UHFFFAOYSA-N,2,1,0.33,45,102,442.351,4.554,5,0.304,0.77,1.0,0.1938695086011925,0.4656637653347954,0.9805359468165308,0.9838427797957645,0.6559780001370707
EOS-2-11826,FC(F)OCn1nnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,LNVDDGJRIOQRRV-UHFFFAOYSA-N,2,1,0.432,36,404,442.346,1.603,5,0.345,0.7,0.733,0.38629120690836816,0.42156123637858955,0.11612466588993214,0.12999451716811733,0.2634929065862518
EOS-2-11827,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)n2)nc1,NRFSIHIWTJQGPL-UHFFFAOYSA-N,2,1,0.424,73,975,442.336,2.902,5,0.305,0.61,0.999,0.37230141868274963,0.5152062915495854,0.7339712836680146,0.762739017202385,0.5960545027756836
EOS-2-11828,Fc1ccc(-n2nnnc2-c2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,IJSDMNWISCJTCK-UHFFFAOYSA-N,2,1,0.481,22,990,442.336,3.472,5,0.393,0.74,1.0,0.20223939414707698,0.6236464258789665,0.9232660544171064,0.9166181207593722,0.6664424988006306
EOS-2-11829,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(OC(F)F)cn5)n34)n2)cc1F,UFICXCXNKOVAJU-UHFFFAOYSA-N,2,1,0.312,22,844,442.336,3.314,5,0.385,0.58,0.994,0.1713042286340895,0.5152148584744021,0.8712733877047495,0.8747601261051333,0.6081381502295936
EOS-2-11830,Fc1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(OC(F)(F)F)cc5)n4)n23)cc1,DAVSAKFXNBNBEJ-UHFFFAOYSA-N,2,1,0.462,22,990,442.336,3.472,5,0.393,0.78,1.0,0.24905763827016655,0.6917963127955589,0.9099016517031047,0.8956120211089027,0.6865919059694332
EOS-2-11831,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)nn4)n23)cc1F,XAHMQHVZSCLZIG-UHFFFAOYSA-N,2,1,0.523,54,251,442.336,3.91,5,0.381,0.67,0.996,0.6691710643547393,0.6529196079775204,0.8993300664793366,0.8887413474059351,0.7775405215543828
EOS-2-11832,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)o2)cc1F,ZOLHUPWSRGMFHN-UHFFFAOYSA-N,2,1,0.575,34,13,442.332,3.977,5,0.38,0.72,1.0,0.9193766705503392,0.9187769858131725,0.9028339387293537,0.9144421218559385,0.9138574292372009
EOS-2-11833,Fc1cc(F)cc(-c2nc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)no2)c1,ZIWOPEXGJJPTPO-UHFFFAOYSA-N,2,1,0.543,34,756,442.332,3.977,5,0.38,0.76,1.0,0.8209512713316428,0.7911212391200055,0.8765763141662669,0.8982934685765198,0.8467355732986088
EOS-2-11834,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)o2)c(F)c1,KHCXBBOWOODWIX-UHFFFAOYSA-N,2,1,0.494,45,574,442.332,4.388,5,0.373,0.76,0.999,0.802686587622507,0.9280549653896237,0.934728599821808,0.9389520937564252,0.901105561647591
EOS-2-11835,Cc1cc(-c2nnco2)cc(F)c1Oc1cncc2nnc(-c3ccc(F)c(F)c3F)n12,DCKSZNIKVYBNKB-UHFFFAOYSA-N,2,1,0.409,13,252,442.332,4.498,5,0.299,0.66,1.0,0.8310516756904941,0.822878829415393,0.9435268316085258,0.9209187170173394,0.8795940134329381
EOS-2-11836,Fc1cc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(F)c(F)c3F)n12,DQUUIZCAWYMGKH-UHFFFAOYSA-N,2,1,0.518,34,607,442.332,3.977,5,0.3,0.71,1.0,0.9309677198272908,0.8904632992940854,0.9564714550065109,0.9463282160235762,0.9310576725378658
EOS-2-11837,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4)n23)ccc1C(F)(F)F,BGIJSEDSRNLNLL-UHFFFAOYSA-N,2,1,0.549,13,15,442.332,4.792,5,0.37,0.76,1.0,0.9637276403262285,0.9357566307998081,0.987286683572065,0.9658094030566787,0.963145089438695
EOS-2-11838,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,VNCPJZKFGJSDBO-UHFFFAOYSA-N,2,1,0.556,43,138,442.332,4.792,5,0.37,0.74,1.0,0.9599410595572613,0.9427215406757591,0.9886745253923651,0.9720375573983963,0.9658436707559455
EOS-2-11839,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)on4)n23)c(F)c1,VGIRNXFEAVSBLU-UHFFFAOYSA-N,2,1,0.419,59,526,442.332,3.977,5,0.38,0.66,1.0,0.5411555068192722,0.47017853471317933,0.9038962374066205,0.9123346583510383,0.7068912343225275
EOS-2-11840,Fc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)cc1F,FYQLHNRSNUWFDU-UHFFFAOYSA-N,2,1,0.518,96,121,442.332,4.388,5,0.373,0.77,1.0,0.8287386059899938,0.9091648961688712,0.9394575423206086,0.9407168802686587,0.9045194811870332
EOS-2-11841,Cc1nc(Br)c(C#N)cc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,ZKZXKAPULGPSJG-UHFFFAOYSA-N,2,1,0.435,51,811,457.679,3.151,4,0.429,0.61,1.0,0.5905095606880953,0.7113289013775616,0.31910081557124254,0.3705194983208827,0.49786469398944555
EOS-2-11842,Fc1nc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc(-c2nnco2)n1,SYNWSMWAYRKWGK-UHFFFAOYSA-N,2,1,0.6,72,996,442.317,3.164,5,0.362,0.75,1.0,0.8385905695291618,0.8717188677952162,0.6732060859433897,0.5965663765334795,0.7450204749503119
EOS-2-11843,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(Oc3ccc(-c4nnco4)nn3)n12,BUXZIDNLHQPVFW-UHFFFAOYSA-N,2,1,0.523,72,706,442.317,3.164,5,0.387,0.67,0.992,0.8613528887670482,0.879900280995134,0.7028647796586938,0.6555153861969707,0.7749083339044616
EOS-2-11844,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4Cl)n23)ccc1Cl,UBGJLFRIUFCZJI-UHFFFAOYSA-N,2,1,0.376,45,102,442.306,6.028,5,0.343,0.76,1.0,0.3793605647316839,0.6967736961140429,0.9646443012816119,0.9831402919607978,0.7559797135220342
EOS-2-11845,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)s2)nc1,VAOMTMYZYPZNBV-UHFFFAOYSA-N,2,1,0.386,45,140,442.306,6.028,5,0.343,0.79,1.0,0.3770817627304503,0.6918048797203755,0.9354053868823248,0.9687564251936125,0.7432621136316908
EOS-2-11846,Clc1ccc(COc2cncc3nnc(-c4ccc(C5CCOC5)cc4Cl)n23)cn1,ZSBOADRUAIBNLL-UHFFFAOYSA-N,2,1,0.517,90,555,442.306,4.576,5,0.422,0.63,1.0,0.5620074018230417,0.5380799808100885,0.8006733602905901,0.8590655198409979,0.6899565656911796
EOS-2-11847,Fc1cc(-c2nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cs2)ccc1Cl,ZYTGUTBYDFMYPI-UHFFFAOYSA-N,2,1,0.455,45,533,442.306,6.028,5,0.343,0.81,1.0,0.367778082379549,0.7480895757658831,0.9331779864299911,0.9711979987663628,0.7550609108354465
EOS-2-11848,Clc1ccc(-c2nnc3cncc(OCc4c(Cl)cnc5ncc(Cl)cc45)n23)cc1,KTTYLZOLPUZDHS-UHFFFAOYSA-N,2,1,0.632,59,772,457.708,5.274,5,0.366,0.79,1.0,0.9675741895689124,0.9767664998971969,0.8725926941265163,0.9431327530669591,0.9400165341648963
EOS-2-11849,Cc1nc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)n[nH]1,WSDDFWWJYQTGHE-UHFFFAOYSA-N,2,1,0.359,45,649,457.712,4.907,5,0.413,0.69,1.0,0.3305633609759441,0.5062795558906175,0.7312984031252142,0.865507847303132,0.6084122918237269
EOS-2-11850,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(Cl)c4Cl)n23)cn1,SMPQMOINJBGTBY-UHFFFAOYSA-N,2,1,0.316,22,844,457.712,4.609,5,0.368,0.76,1.0,0.19133369885545884,0.3792577616338839,0.7210866287437462,0.8469690219998629,0.534661777808238
EOS-2-11851,Cn1nc(-c2cocn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,CUGOHFJSCOBRPM-UHFFFAOYSA-N,2,1,0.535,34,10,442.266,4.066,5,0.405,0.57,1.0,0.5079329723802344,0.6868960318004249,0.5313635117538208,0.6236207251045165,0.5874533102597492
EOS-2-11852,Cc1ocnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)o1,AJXLSRZNWMIZKG-UHFFFAOYSA-N,2,1,0.541,4,391,442.262,5.234,5,0.368,0.74,1.0,0.8477486121581796,0.8956291549585361,0.769729627852786,0.7843276677403879,0.8243587656774725
EOS-2-11853,Cn1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)n1,ZVDGZIHSPIZSRE-UHFFFAOYSA-N,2,1,0.367,22,649,442.245,3.49,5,0.422,0.66,1.0,0.34490439311904597,0.5104088136522514,0.5518041943663903,0.736952573504215,0.5360174936604757
EOS-2-11854,Cc1nnc(-c2cc(-c3nnc4cncc(-c5cnc(F)c(Cl)c5)n34)ccc2Cl)o1,XYUSKMBATOJLBQ-UHFFFAOYSA-N,2,1,0.346,45,844,442.241,4.658,5,0.375,0.65,1.0,0.3655164142279487,0.6145569186484819,0.7674936604756357,0.8452556370365294,0.6482056575971489
EOS-2-11855,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)[nH]n3)n12,POZKWRKYORNENP-UHFFFAOYSA-N,2,1,0.402,13,145,442.241,4.815,5,0.402,0.74,1.0,0.5515557535467068,0.609733739976698,0.8887413474059351,0.9280463984648071,0.7445193098485368
EOS-2-11856,COc1nc(-c2nnc3cncc(Oc4cc(Cl)cc(F)c4F)n23)ccc1-c1nnco1,MGBUHFMPDCJKPW-UHFFFAOYSA-N,2,1,0.385,13,251,457.784,3.969,5,0.361,0.61,0.999,0.7420241929956822,0.6575628812281543,0.6704732369268728,0.6413199917757522,0.6778450757316155
EOS-2-11857,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)nc1Cl,HXAYMMLPZAOYOX-UHFFFAOYSA-N,2,1,0.392,31,237,457.788,2.579,5,0.277,0.57,1.0,0.6598673840038379,0.5954869440065794,0.2035329997943938,0.282442944280721,0.43533256802138304
EOS-2-11858,Fc1cnc(F)c(-c2ccc(-c3nnc4cncc(OCc5cocc5Cl)n34)cc2F)c1,XTPXQYPJYKVHHG-UHFFFAOYSA-N,2,1,0.518,73,89,457.799,5.096,5,0.342,0.66,1.0,0.9485984510999932,0.8630919745048318,0.9735881707902131,0.97483037488863,0.9400272428209171
EOS-2-11859,FC(F)(F)Oc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,WMYGDIJIRSWGMN-UHFFFAOYSA-N,2,1,0.481,22,331,457.803,4.591,5,0.392,0.73,1.0,0.2079021314508944,0.6918134466451923,0.9659379069289288,0.9587331231581112,0.7060966520457816
EOS-2-11860,Fc1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(F)c(Cl)c5)nn4)n23)c(F)c1,PLARXBLEDYDEBR-UHFFFAOYSA-N,2,1,0.589,34,612,457.803,4.022,5,0.396,0.73,1.0,0.395089438695086,0.6819272154067576,0.8993386334041532,0.9328867109862243,0.7273104996230553
EOS-2-11861,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)c(F)c1,BNQRYDWEQUZWLP-UHFFFAOYSA-N,2,1,0.512,34,612,457.803,4.022,5,0.396,0.7,1.0,0.6133918168734152,0.7782108834212871,0.8726012610513331,0.9144506887807553,0.7946636625316976
EOS-2-11862,Fc1cc(F)cc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)c1,STVGYMARGURDPS-UHFFFAOYSA-N,2,1,0.512,34,612,457.803,4.022,5,0.396,0.63,1.0,0.49515112055376603,0.7113374683023782,0.8567867178397642,0.9076656843259544,0.7427352477554657
EOS-2-11863,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)c(F)c5)n4)n23)c(Cl)c1,ZOGZPFJAXUQHEE-UHFFFAOYSA-N,2,1,0.494,34,612,457.803,4.022,5,0.396,0.65,1.0,0.48546192858611475,0.6770697690357069,0.8765848810910836,0.9155129874580221,0.7386573915427318
EOS-2-11864,Cn1nc(-c2c(F)ccc(F)c2F)cc1Oc1cncc2nnc(-c3ccc(Cl)cn3)n12,PLIGYORSDFZQLI-UHFFFAOYSA-N,2,1,0.333,34,573,457.803,4.45,5,0.371,0.58,1.0,0.5359896511548214,0.6283668014529504,0.8726098279761497,0.8914142279487355,0.7320951271331643
EOS-2-11865,Cn1c(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)ccn2)cnc1Cl,NNVHPJAJQGXVNV-UHFFFAOYSA-N,2,1,0.472,13,110,457.803,4.45,5,0.371,0.64,1.0,0.7085789185114112,0.7568963744774175,0.9118120759372216,0.905583921595504,0.8207178226303886
EOS-2-11866,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cncn4C(F)F)cn3)n12,XUDMBBYJQXPRQI-UHFFFAOYSA-N,2,1,0.404,13,251,457.803,5.03,5,0.368,0.66,1.0,0.6445497224316359,0.7524929751216504,0.9559660064423274,0.95048317455966,0.8258729696388185
EOS-2-11867,Fc1cc(F)c(-c2nnc3cncc(OCc4ccc(F)c(-n5cccn5)n4)n23)cc1Cl,RUEXYZURWRGPPU-UHFFFAOYSA-N,2,1,0.518,34,877,457.803,4.022,5,0.371,0.63,1.0,0.3992700980056199,0.5615105201836749,0.8567952847645809,0.8775443766705503,0.6737800699061065
EOS-2-11868,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3ncn(-c4ccc(OC(F)F)cc4)n3)n12,NWKKBZZRAHRCFJ-UHFFFAOYSA-N,2,1,0.413,22,681,457.803,4.433,5,0.388,0.69,0.999,0.20791069837571105,0.6478137207867863,0.9249623055308067,0.942361729833459,0.6807621136316908
EOS-2-11869,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)cc1F,DQVUUWZWNJGACB-UHFFFAOYSA-N,2,1,0.589,34,612,457.803,4.022,5,0.396,0.64,1.0,0.40139469536015354,0.7436519087108492,0.9005294359536701,0.932072853128641,0.7444122232883285
EOS-2-11870,Cn1nc(-c2cnc(F)c(F)c2)cc1Oc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,YSRHHUXJWAKBTH-UHFFFAOYSA-N,2,1,0.471,13,706,457.803,4.45,5,0.371,0.75,1.0,0.7055290932766775,0.8372112946336783,0.9156928928791721,0.9155215543828388,0.8434887087930917
EOS-2-11871,Cn1cnc(-c2nccc(C(F)(F)F)n2)c1-c1cncc2nnc(-c3ccc(Cl)cn3)n12,QVAIDXGHIMIBAM-UHFFFAOYSA-N,2,1,0.313,50,243,457.807,3.716,5,0.407,0.62,0.709,0.2409190596943321,0.38868994585703515,0.7210951956685628,0.6788602563223906,0.5073911143855802
EOS-2-11872,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nn(F)cc5Cl)n34)nc2F)n1,NZICFRKXYZQBSS-UHFFFAOYSA-N,2,1,0.385,31,237,457.832,2.93,5,0.361,0.59,1.0,0.4630594201905284,0.5104173805770681,0.322724624768693,0.38646254540470154,0.42066599273524774
EOS-2-11873,Cn1nc(-c2nncn2CCF)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3F)n12,IWQGPFTXNRAKHC-UHFFFAOYSA-N,2,1,0.447,36,292,457.832,3.338,5,0.385,0.59,1.0,0.4443578233157426,0.6145654855732986,0.2317438832156809,0.3609588102254815,0.41290650058255085
EOS-2-11874,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4F)n23)n(C)n1,CTQLLKMSLUFQNR-UHFFFAOYSA-N,2,1,0.378,36,292,457.832,3.527,5,0.372,0.57,1.0,0.48034747447056403,0.6918220135700089,0.3789921869645672,0.44314131999177575,0.498575748749229
EOS-2-11875,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nn(F)cc4Cl)n23)nc1F,CQCIDZGFTLBSAR-UHFFFAOYSA-N,2,1,0.385,31,814,457.832,2.93,5,0.361,0.64,1.0,0.4878692344595984,0.4922554999657323,0.3673069015146323,0.4243454869440066,0.44294428072099246
EOS-2-11876,Cc1noc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(Cl)c6)o5)n34)cn2)n1,FYPDBIYPGABGTH-UHFFFAOYSA-N,2,1,0.349,10,541,457.841,3.915,6,0.383,0.74,1.0,0.2213864711123295,0.3601021177438147,0.145166541018436,0.22931944349256392,0.23899364334178605
EOS-2-11877,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)cc2)no1,YXZDSJXKLKBVNA-UHFFFAOYSA-N,2,1,0.316,38,725,457.841,3.915,6,0.358,0.71,1.0,0.2409276266191488,0.36011068466863133,0.18640771708587486,0.24087622507024878,0.25708056336097596
EOS-2-11878,Clc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)[nH]n2)cc1,ZOZSNRNCAWEQIY-UHFFFAOYSA-N,2,1,0.396,81,870,457.841,4.072,6,0.406,0.66,0.954,0.520449249537386,0.5243986018778699,0.4410338564868755,0.49585360838873277,0.49543382907271605
EOS-2-11879,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)c(Cl)c5)n34)cc2)o1,ZKNCFXKRQRHMHQ-UHFFFAOYSA-N,2,1,0.321,9,340,457.841,3.624,6,0.407,0.65,1.0,0.2298248920567473,0.30638749914330754,0.46576656843259545,0.477588924679597,0.3698919710780618
EOS-2-11880,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)nc(=N)[nH]2)nc1,OLEDGNWPFCZWNM-UHFFFAOYSA-N,2,1,0.396,46,128,457.845,1.95,5,0.374,0.65,0.958,0.342531354944829,0.2860067850044548,0.28982763347268864,0.2733448701254198,0.297927660886848
EOS-2-11881,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cncc(Cl)n5)n4)n23)cc1,KJJPWRXNHUWTGW-UHFFFAOYSA-N,2,1,0.333,8,890,457.849,1.673,6,0.383,0.69,1.0,0.01763073127270235,0.142407991227469,0.02264238229045302,0.049765266260023304,0.058111592762661916
EOS-2-11882,Fc1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)s1,RPXPMBQXPGPNGE-UHFFFAOYSA-N,2,1,0.53,73,969,457.853,4.215,5,0.39,0.68,1.0,0.8287471729148105,0.9262302104036735,0.6840004112123912,0.7285312864094304,0.7918772702350765
EOS-2-11883,Fc1cc(-c2nnc3cncc(OCc4cc(F)c(-c5csnn5)cn4)n23)ccc1Cl,QHEOUGSNGQVUCS-UHFFFAOYSA-N,2,1,0.536,34,391,457.853,4.215,5,0.39,0.65,1.0,0.5935079843739292,0.8372198615584949,0.8181070522925091,0.8573178671783976,0.7765381913508327
EOS-2-11884,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)s2)cn1,JJBZBSXJXSCQIR-UHFFFAOYSA-N,2,1,0.529,34,10,457.853,4.215,5,0.365,0.72,1.0,0.6994123089575766,0.887764717976835,0.5844099102186279,0.707062572818861,0.7196623774929751
EOS-2-11885,Fc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)s1,WASZLDNJLNLUKL-UHFFFAOYSA-N,2,1,0.523,34,10,457.853,4.215,5,0.39,0.68,1.0,0.7597063258172846,0.904787197587554,0.5518127612912069,0.6470512644781029,0.7158393872935371
EOS-2-11886,Cc1nnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5F)n34)ccn2)s1,GALXFCSSCOFGPP-UHFFFAOYSA-N,2,1,0.472,13,573,457.853,4.737,5,0.36,0.68,1.0,0.6813789322184909,0.7436604756356658,0.6787403193749572,0.7208124871496128,0.7061480535946816
EOS-2-11887,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5nc(Cl)ns5)n34)c2)cc1F,CEAKLQRGNBYCPA-UHFFFAOYSA-N,2,1,0.418,46,153,457.853,4.215,5,0.39,0.76,1.0,0.5128846549242684,0.6097423069015147,0.5972431635939963,0.7016397094099103,0.6053774587074223
EOS-2-11888,Fc1cncc(F)c1COc1cncc2nnc(-c3ccc(-c4ncc(Cl)s4)nc3)n12,RVOCRJINZNNVQZ-UHFFFAOYSA-N,2,1,0.494,55,980,457.853,4.215,5,0.39,0.71,1.0,0.8236155849496265,0.8406637653347955,0.6704818038516894,0.7100609965046947,0.7612055376602015
EOS-2-11889,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)s2)nn1,DNPGSZSCGNOSAU-UHFFFAOYSA-N,2,1,0.506,34,10,457.853,4.215,5,0.39,0.68,1.0,0.6843345212802412,0.8823589884175177,0.6096652045781646,0.7070711397436776,0.7208574635049003
EOS-2-11890,Fc1cc(Cl)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1,YPYWRGGAGKXPKD-UHFFFAOYSA-N,2,1,0.325,3,150,457.856,5.092,6,0.366,0.69,1.0,0.08196833664587759,0.2704492495373861,0.8712819546295661,0.8956205880337195,0.5298300322116374
EOS-2-11891,N#Cc1ccc(-c2nnc3cncc(OCc4nnccc4-c4ccc(Cl)c(F)c4)n23)cc1,IUKMPNCRHQAPEW-UHFFFAOYSA-N,2,1,0.581,43,96,457.856,4.491,5,0.383,0.75,0.999,0.934265985881708,0.9655438283873621,0.9145706257281886,0.9249965732300733,0.934844253306833
EOS-2-11892,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)cc1Cl,PIVHUZIPBPBYEK-UHFFFAOYSA-N,2,1,0.313,3,783,457.856,5.092,6,0.366,0.72,1.0,0.08197690357069426,0.2913268453156055,0.7984973613871564,0.8573264341032143,0.5072818860941677
EOS-2-11893,C#Cc1ccc(-c2ncc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2F)cn1,FJLFQWZCJJZPPX-UHFFFAOYSA-N,2,1,0.506,55,879,457.856,3.996,5,0.291,0.71,1.0,0.8500531149338634,0.8601535192927147,0.8107994654238915,0.7911897745185388,0.8280489685422521
EOS-2-11894,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cn2)cn1,XNSOYAIXSDLETF-UHFFFAOYSA-N,2,1,0.478,59,109,457.856,4.491,5,0.383,0.85,1.0,0.9309762867521074,0.9372215749434583,0.917551915564389,0.9111866904256049,0.9242341169213899
EOS-2-11895,Fc1cccc(Cl)c1-c1nnc2cncc(Oc3ccc(-c4nnc5ccccn45)cc3)n12,JGMDFRQHSKXHDO-UHFFFAOYSA-N,2,1,0.564,57,480,457.856,5.086,6,0.367,0.81,1.0,0.7997224316359399,0.8799088479199506,0.7557741073264341,0.8394215612363786,0.8187067370296758
EOS-2-11896,Fc1ccc(-n2cc(-c3cncc4nnc(-c5conc5-c5ccc(Cl)cc5)n34)cn2)cc1,KJEPEZNXBUPFON-UHFFFAOYSA-N,2,1,0.354,3,673,457.856,5.092,6,0.366,0.75,1.0,0.04132684531560551,0.20439825920087726,0.8063360975944075,0.880362894935234,0.4831060242615311
EOS-2-11897,Fc1ccc(-c2nocc2-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)cc1,WHPWZZTXZJDOHB-UHFFFAOYSA-N,2,1,0.325,3,673,457.856,5.092,6,0.366,0.8,1.0,0.03828558700568844,0.18207285312864094,0.7960900555136728,0.8760537317524502,0.4731255568501131
EOS-2-11898,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)nc1,HFTMEUIMQCKDOH-UHFFFAOYSA-N,2,1,0.671,24,294,457.856,4.491,5,0.383,0.77,1.0,0.9411966280583921,0.9000411212391201,0.9213470632581728,0.9188883558357892,0.9203682920978685
EOS-2-11899,N#Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,BBMNRIRUXXHMRK-UHFFFAOYSA-N,2,1,0.633,59,884,457.856,4.491,5,0.383,0.77,1.0,0.9165153176615722,0.9244140223425399,0.9380354328010417,0.9337434034678912,0.9281770440682613
EOS-2-11900,N#Cc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)c1,HOZOJYQRHFHAHL-UHFFFAOYSA-N,2,1,0.541,97,71,457.856,4.491,5,0.383,0.71,1.0,0.8613614556918648,0.9538328421629771,0.9175604824892056,0.9221523541909397,0.9137267836337469
EOS-2-11901,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ncco5)c(Cl)c4)n23)ccc1-c1cc[nH]n1,WEEAZGQFWYMGLX-UHFFFAOYSA-N,2,1,0.325,3,192,457.856,5.296,6,0.386,0.63,1.0,0.35389966417654717,0.487774998286615,0.8699112466588993,0.8928192036186691,0.6511012781851826
EOS-2-11902,N#Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ccc(F)cc5)cn4)n23)ccc1Cl,LSTHFGPXCRHAOZ-UHFFFAOYSA-N,2,1,0.536,34,929,457.856,4.491,5,0.383,0.69,1.0,0.9061664724830375,0.9698529915701459,0.9017116715783702,0.9111952573504215,0.9222315982454937
EOS-2-11903,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)c(F)c5)nn4)n23)cc1,FMCRYFZNLWUWAZ-UHFFFAOYSA-N,2,1,0.576,43,372,457.856,4.491,5,0.383,0.75,1.0,0.9571568089918443,0.9692104722088959,0.904967103008704,0.914459255705572,0.936448409978754
EOS-2-11904,N#Cc1ccc(-c2ncccc2-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1F,JKSYUDOXQYKRMB-UHFFFAOYSA-N,2,1,0.478,97,89,457.856,4.491,5,0.383,0.68,0.996,0.9152645466383387,0.877218833527517,0.8973254060722363,0.9030909464738538,0.8982249331779864
EOS-2-11905,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)cc1,PDRBNJIKJCTQTJ-UHFFFAOYSA-N,2,1,0.536,97,210,457.856,4.491,5,0.383,0.78,1.0,0.957962099924611,0.9538414090877938,0.880439997258584,0.8983020355013365,0.9226363854430812
EOS-2-11906,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cc(Cl)[nH]n5)cc4)n23)ccc1-c1nc[nH]n1,MXSOWDAJYJFOSP-UHFFFAOYSA-N,2,1,0.333,9,834,457.86,4.426,6,0.405,0.59,1.0,0.32275032554314304,0.4790196011239805,0.7578987046809678,0.8087862380919745,0.5921137173600165
EOS-2-11907,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)cn2)o1,OPLBBAAWNFOJBT-UHFFFAOYSA-N,2,1,0.474,53,779,457.863,2.371,5,0.355,0.61,1.0,0.4375728188609417,0.519781029401686,0.01052018367486807,0.010914262216434788,0.24469707353848263
EOS-2-11908,Cc1nc(-c2ccc(F)cc2F)c(-c2nnc3cncc(-c4cc(F)ccc4Cl)n23)s1,OOINPOVZHNIGCP-UHFFFAOYSA-N,2,1,0.382,45,533,457.868,5.961,5,0.335,0.74,1.0,0.2728137207867864,0.49736138715646633,0.9145791926530052,0.9600609965046947,0.6612038242752382
EOS-2-11909,Fc1cc(-c2sncc2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)ccc1Cl,HJSHGTVEKJLVMF-UHFFFAOYSA-N,2,1,0.379,96,46,457.868,6.312,5,0.317,0.75,1.0,0.31305256665067505,0.5567387430607909,0.9861986841203482,0.9912103351380989,0.7118000822424783
EOS-2-11910,FC(F)(F)c1ccsc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,NTICREWKHMKELT-UHFFFAOYSA-N,2,1,0.411,96,315,457.868,6.254,5,0.321,0.79,1.0,0.41222328832842164,0.7204698101569461,0.9908248235213488,0.9884260845726818,0.7779860016448497
EOS-2-11911,O=C(Oc1ccc(Cl)cc1)c1ccc(-c2nnc3cncc(OCc4ccccn4)n23)cc1,COJOMIZWYRUMOQ-UHFFFAOYSA-N,2,1,0.679,1,881,457.877,4.638,5,0.271,0.8,1.0,0.6691796312795559,0.7113460352271949,0.7489205674730999,0.684805702145158,0.7035629840312521
EOS-2-11912,FCc1nc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)o1,HGKVNFXPFJPOHP-UHFFFAOYSA-N,2,1,0.511,2,419,457.878,4.042,5,0.36,0.57,1.0,0.5541086971420739,0.5289390720307039,0.20004626139401,0.2617709546981016,0.3862162463162223
EOS-2-11913,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2F)o1,VTFZGKSVIUINRN-UHFFFAOYSA-N,2,1,0.432,31,237,457.878,4.02,5,0.352,0.57,0.997,0.7055376602014941,0.642510794325269,0.2209923925707628,0.27646323075868684,0.46137601946405327
EOS-2-11914,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)ccc1F,CHESFKPRORQKAR-UHFFFAOYSA-N,2,1,0.506,36,79,457.882,2.852,5,0.383,0.68,1.0,0.5287163319854705,0.6624288945240216,0.11613323281474881,0.2260468782125968,0.38333133438420947
EOS-2-11915,Cn1c(C#N)nnc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1Cl,LFCYIKHIEGZUIM-UHFFFAOYSA-N,2,1,0.598,15,563,457.885,3.128,5,0.381,0.66,1.0,0.7741929956822698,0.8304177232540607,0.22100095949557946,0.2882170516071551,0.5284571825097663
EOS-2-11916,Cc1nn(C)cc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)nc1,LWFGKJCIIHESEP-UHFFFAOYSA-N,2,1,0.483,51,946,457.885,3.394,5,0.394,0.69,1.0,0.48787780138441506,0.6819357823315743,0.514598039887602,0.4745990679185799,0.5397526728805428
EOS-2-11917,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4C#N)n23)cn1,LDPAWWSOHKEWJR-UHFFFAOYSA-N,2,1,0.544,84,908,457.885,3.128,5,0.381,0.73,1.0,0.8209598382564595,0.782494345829621,0.45181961483106026,0.48377424439723116,0.634762010828593
EOS-2-11918,CCn1cc(-c2ncc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)cc2Cl)cn1,QTOCNKBOQOEQPI-UHFFFAOYSA-N,2,1,0.505,92,860,457.885,3.569,5,0.379,0.7,1.0,0.43758138578575834,0.497369954081283,0.46948461380302925,0.4431498869165924,0.46189646014666574
EOS-2-11919,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccc(C#N)nc1,CHJOGYNYQFEIQE-UHFFFAOYSA-N,2,1,0.458,95,235,457.885,3.128,5,0.381,0.62,1.0,0.4781286409430471,0.4656723322596121,0.38259029538756767,0.4020457816462203,0.43210926255911175
EOS-2-11920,N#CCCn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cn1,AAWNEFMTMNKLNH-UHFFFAOYSA-N,2,1,0.423,92,468,457.885,3.591,5,0.363,0.63,1.0,0.4468250976629429,0.46568089918442873,0.4372729764923583,0.4558889041189775,0.45141696936467685
EOS-2-11921,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1ccc(C#N)nc1,ZGNMZMCARACWPL-UHFFFAOYSA-N,2,1,0.458,95,493,457.885,3.128,5,0.356,0.66,1.0,0.47554999657323005,0.4831060242615311,0.44104242341169214,0.43994585703515865,0.459911075320403
EOS-2-11922,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C#N)nc4)n23)cc1Cl,BKYIFYGPVQSVTQ-UHFFFAOYSA-N,2,1,0.575,37,669,457.885,3.128,5,0.381,0.69,0.998,0.8052994996915908,0.8338616270303612,0.4657751353574121,0.46531252141731205,0.642562195874169
EOS-2-11923,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)cn5)nn4C)n23)ccc1C#N,BHKVIXUWDQCYRD-UHFFFAOYSA-N,2,1,0.446,36,677,457.885,3.394,5,0.394,0.65,1.0,0.44221609211157564,0.6145740524981153,0.3898978822561853,0.3833013501473511,0.4574973442533068
EOS-2-11924,Cn1nncc1-c1cc(C#N)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,RPEBJORQWCEFBH-UHFFFAOYSA-N,2,1,0.459,15,561,457.885,3.128,5,0.356,0.65,1.0,0.5935165512987458,0.619328695771366,0.4832345281337811,0.5059197450483175,0.5504998800630525
EOS-2-11925,C#CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)nn1,UAQYGZFZSQYTNS-UHFFFAOYSA-N,2,1,0.474,65,359,457.885,2.748,5,0.343,0.63,1.0,0.3203858542937427,0.3553046398464807,0.2710232335001028,0.3162822973065588,0.31574900623672125
EOS-2-11926,N#CCCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,HDINVGBULGDTEG-UHFFFAOYSA-N,2,1,0.386,2,905,457.885,3.591,5,0.34,0.63,0.999,0.47305702145157974,0.42592180111027345,0.5212631073949695,0.5257350421492701,0.48649424302652317
EOS-2-11927,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)o2)cc1,NTDSBBPHJIZKRR-UHFFFAOYSA-N,2,1,0.397,3,641,457.906,5.285,6,0.355,0.73,1.0,0.2381605099033651,0.5017904872866835,0.5282622849701871,0.6413285587005688,0.4773854602152012
EOS-2-11928,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)s2)nc1,KBJJYXHVYHBRNX-UHFFFAOYSA-N,2,1,0.304,76,368,457.906,5.285,6,0.355,0.6,1.0,0.18556815845384142,0.3063960660681242,0.5108628606675348,0.59952196559523,0.4005872626961826
EOS-2-11929,Clc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)s2)ccn1,ZNVNMPQPTDUSOA-UHFFFAOYSA-N,2,1,0.321,38,641,457.906,5.285,6,0.332,0.68,1.0,0.11924302652319924,0.27045781646220274,0.46578370228222876,0.587553971626345,0.3607596292234939
EOS-2-11930,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)s4)n23)cc1,YWKJVKGBMAASGK-UHFFFAOYSA-N,2,1,0.321,64,449,457.906,5.285,6,0.355,0.66,0.985,0.31800424919470904,0.407674251250771,0.45876739085737783,0.5906380645603454,0.4437709889658008
EOS-2-11931,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)o2)c1,XMGZMNNYCSEHRI-UHFFFAOYSA-N,2,1,0.385,3,641,457.906,5.285,6,0.355,0.7,1.0,0.15777705434857103,0.40307381262422043,0.5108714275923515,0.6292834624083339,0.42525143924336917
EOS-2-11932,Clc1cc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc(-c2nccs2)n1,HAQWLSSGTKTGRR-UHFFFAOYSA-N,2,1,0.342,69,299,457.906,5.285,6,0.332,0.73,1.0,0.23547049551093138,0.3886985127818518,0.5875197039270783,0.6292920293331505,0.460245185388253
EOS-2-11933,Clc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cs2)cc1,KAWPEXSFQLCPKS-UHFFFAOYSA-N,2,1,0.403,3,152,457.906,5.285,6,0.355,0.72,1.0,0.20224796107189363,0.48311459118634775,0.5616390240559249,0.6470598314029196,0.4735153519292714
EOS-2-11934,Clc1ccccc1-c1nc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cs1,BDIGBZRVKRECMP-UHFFFAOYSA-N,2,1,0.368,93,74,457.906,5.285,6,0.355,0.65,1.0,0.20510074703584402,0.4437581385785758,0.5282708518950038,0.6264221095195669,0.45088796175724766
EOS-2-11935,Clc1cc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)ncc1-c1nccs1,UZLABTAGPBSIRZ-UHFFFAOYSA-N,2,1,0.366,32,479,457.906,5.285,6,0.355,0.67,1.0,0.27282228771160305,0.4076828181755877,0.5313720786786376,0.5875625385511617,0.44985993077924746
EOS-2-11936,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)o2)cn1,OBSLMRTWAZBSTG-UHFFFAOYSA-N,2,1,0.3,30,541,457.906,5.285,6,0.332,0.75,0.998,0.14964704269755327,0.2550887533411007,0.3825988623123843,0.5293845521211706,0.32917980261805224
EOS-2-11937,Clc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)nc2)cs1,FOUONGSVDBHBBQ-UHFFFAOYSA-N,2,1,0.311,32,687,457.906,5.285,6,0.355,0.72,1.0,0.14965560962236996,0.2805496538962374,0.5212716743197862,0.5688352409019258,0.3800780446850799
EOS-2-11938,Clc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)nc2)s1,DAOSZFKMTAWYBO-UHFFFAOYSA-N,2,1,0.312,38,787,457.91,4.415,6,0.417,0.6,0.951,0.12179597011856624,0.25509732026591736,0.3263141662668768,0.3957919265300528,0.27474984579535333
EOS-2-11939,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)nn1,RIAHHUMEUMNTJT-UHFFFAOYSA-N,2,1,0.325,38,865,457.91,4.415,6,0.417,0.68,1.0,0.20791926530052773,0.35531320677129735,0.3862312384346515,0.45916146939894453,0.3521562949763553
EOS-2-11940,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)n2)cc1,NVBBOMONQLLFJQ-UHFFFAOYSA-N,2,1,0.35,3,289,457.91,4.211,6,0.391,0.69,1.0,0.03537283256802138,0.22957645123706394,0.34095504077856215,0.46852511822356246,0.26860736070180247
EOS-2-11941,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)c1,MVRQLPWNNZBTMX-UHFFFAOYSA-N,2,1,0.37,3,641,457.91,4.415,6,0.417,0.65,1.0,0.07753923651566035,0.35532177369611406,0.30786101021177437,0.4495579466794599,0.29756999177575216
EOS-2-11942,Clc1cnnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)cn2)c1,ALAOYNYWNFWRSU-UHFFFAOYSA-N,2,1,0.279,70,664,457.91,4.211,6,0.391,0.64,0.634,0.008224247824001097,0.11172126653416489,0.35612706462888083,0.46232266465629496,0.23459881091083545
EOS-2-11943,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)cc1,YSSOTLWRGYZRDM-UHFFFAOYSA-N,2,1,0.354,3,158,457.91,4.211,6,0.391,0.77,1.0,0.04272325406072236,0.22447056404632992,0.2566136659584676,0.4048814337605373,0.23217222945651428
EOS-2-11944,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)n2)cc1,AJCZLBXYWFUEFZ-UHFFFAOYSA-N,2,1,0.303,10,952,457.91,4.211,6,0.391,0.69,0.999,0.008901034884517853,0.13138235898841752,0.2637841820300185,0.44315845384140906,0.21180650743609075
EOS-2-11945,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)s5)n34)nn2)cn1,LIDCHVWNHLBPRO-UHFFFAOYSA-N,2,1,0.282,10,37,457.91,4.211,6,0.365,0.71,1.0,0.005225824138167363,0.029581591391953946,0.3711962853813995,0.4805530806661641,0.22163919539442123
EOS-2-11946,Clc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)nc1,IAPBDGLTFGZDSB-UHFFFAOYSA-N,2,1,0.305,42,150,457.91,4.211,6,0.391,0.76,1.0,0.04562744157357275,0.1614865327941882,0.2933315057227058,0.36752964155986567,0.2169937804125831
EOS-2-11947,Clc1cnc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)n2)nc1,MQLCLWXFVCULSP-UHFFFAOYSA-N,2,1,0.279,10,871,457.91,4.211,6,0.391,0.63,0.997,0.0234990747721198,0.04940545541772325,0.12192447399081625,0.25581694195051746,0.11266148653279419
EOS-2-11948,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)nn2)cc1,QOYUNQBZKILZPI-UHFFFAOYSA-N,2,1,0.35,3,783,457.91,4.211,6,0.391,0.77,1.0,0.012610513330135015,0.17802069769035708,0.4518281817558769,0.5875711054759784,0.30750762456308683
EOS-2-11949,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)n1,RHAOBGPQOQKRQM-UHFFFAOYSA-N,2,1,0.31,70,664,457.91,4.211,6,0.365,0.66,0.993,0.01838462065656912,0.16149509971900486,0.3637173600164485,0.4369902679734083,0.2451468370913577
EOS-2-11950,Clc1cccc(CCOc2cncc3nnc(-c4cccc(COc5ccccc5)c4)n23)n1,QYQIRVDJEKDWQE-UHFFFAOYSA-N,2,1,0.553,79,824,457.921,5.04,5,0.304,0.75,1.0,0.7481067096155164,0.7654033308203687,0.7339798505928312,0.7259783428140635,0.743367058460695
EOS-2-11951,COc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1ccccn1,DBTIHYBIMCFLOU-UHFFFAOYSA-N,2,1,0.675,79,955,457.921,5.137,5,0.337,0.81,1.0,0.9193852374751559,0.8507984373929134,0.7985059283119731,0.7627475841272017,0.832859296826811
EOS-2-11952,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccccc5C)cn4)n23)ccc1Cl,ZQUMPTQUYHKGFM-UHFFFAOYSA-N,2,1,0.558,1,347,457.921,5.403,5,0.339,0.75,1.0,0.8431310396819958,0.8850661366595847,0.8613957233911316,0.8024381468028237,0.8480077616338839
EOS-2-11953,CCc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccncc1,JDGIHQWVRRECJH-UHFFFAOYSA-N,2,1,0.433,11,769,457.925,4.481,5,0.333,0.67,0.989,0.5935251182235625,0.652928174902337,0.34462168460009596,0.3739205674730999,0.4912488862997738
EOS-2-11954,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cccnc1C,UQALXIUDOXMNCB-UHFFFAOYSA-N,2,1,0.5,4,690,457.925,4.747,5,0.363,0.74,0.963,0.5027928174902337,0.5425861832636557,0.40090638064560347,0.3772102666027003,0.4558739120005483
EOS-2-11955,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5cnccc5C)c(Cl)cn4)n23)n1,HJERGNKZDYZCLB-UHFFFAOYSA-N,2,1,0.41,18,367,457.925,4.535,5,0.369,0.75,0.954,0.6104619285861147,0.6672520731958056,0.49333493249263244,0.4685336851483791,0.559895654855733
EOS-2-11956,Cc1cnc(C)c(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)ccn2)n1,ONQLEHPJFJBRNQ-UHFFFAOYSA-N,2,1,0.654,75,583,457.925,4.535,5,0.369,0.73,1.0,0.7510879994517168,0.7391114385580152,0.4186741827153725,0.4213813309574395,0.582563737920636
EOS-2-11957,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)c(C)c1,LADSQGOWJAQIIH-UHFFFAOYSA-N,2,1,0.505,58,578,457.925,4.535,5,0.346,0.71,1.0,0.8183040915632924,0.856898087862381,0.4933434994174491,0.4528390788842437,0.6553461894318415
EOS-2-11958,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccc(C)nc1,HDFQOVNRZZCETR-UHFFFAOYSA-N,2,1,0.462,46,717,457.925,4.747,5,0.363,0.71,1.0,0.5386368309231718,0.5017990542115003,0.4967531354944829,0.45917003632376124,0.4990897642382291
EOS-2-11959,Cc1cnc(C)c(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,AJUUSXQJPKQVKM-UHFFFAOYSA-N,2,1,0.529,15,438,457.925,4.535,5,0.346,0.64,1.0,0.748115276540333,0.7569049414022343,0.4587759577821945,0.4276694537728737,0.5978664073744089
EOS-2-11960,COc1cc(-c2nnc3cncc(OCc4nnc(-c5cscn5)s4)n23)ccc1Cl,ZUAJBJNRGIFIGP-UHFFFAOYSA-N,2,1,0.494,4,67,457.928,4.007,5,0.377,0.69,1.0,0.5411640737440888,0.7113546021520115,0.16070694263587143,0.19697073538482626,0.40254908847919946
EOS-2-11961,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)ccn2)s1,HIKLGHAGRXHSGL-UHFFFAOYSA-N,2,1,0.517,4,43,457.928,3.491,5,0.412,0.63,1.0,0.4951596874785827,0.5425947501884724,0.16071550956068809,0.1777979576451237,0.3440669762182167
EOS-2-11962,COc1cc(-c2nnc3cncc(OCc4nnc(-c5ccns5)s4)n23)ccc1Cl,HMVDLIGQDFTIAY-UHFFFAOYSA-N,2,1,0.489,4,67,457.928,4.007,5,0.377,0.68,1.0,0.4878863683092317,0.6721780549653896,0.15423034747447056,0.1998320882735933,0.3785317147556713
EOS-2-11963,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)ncn2)s1,IKEXUEJWWRQLHN-UHFFFAOYSA-N,2,1,0.386,31,194,457.932,3.14,5,0.379,0.63,1.0,0.3815708313343842,0.4437667055033925,0.013758481255568502,0.025143924336920018,0.2160599856075663
EOS-2-11964,Fc1ccccc1-c1ncsc1-c1nnc2cncc(OCCc3ccc(Cl)s3)n12,USUPUXRMNUFUDJ-UHFFFAOYSA-N,2,1,0.529,11,639,457.943,5.39,5,0.342,0.72,1.0,0.762893221849085,0.6869045987252416,0.52468131039682,0.6641851141114385,0.6596660612706462
EOS-2-11965,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cncs1,SJUWGWAPTHPHMW-UHFFFAOYSA-N,2,1,0.56,37,639,457.943,5.39,5,0.342,0.76,1.0,0.9433554931121925,0.9295970118566239,0.7464704269755329,0.7911983414433555,0.8526553183469262
EOS-2-11966,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)s1,YODWCLLBFDVNOP-UHFFFAOYSA-N,2,1,0.471,4,617,441.929,4.307,5,0.401,0.69,1.0,0.512893221849085,0.6869131656500582,0.16395380714138852,0.21489274210129533,0.3946632341854568
EOS-2-11967,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)s1,STVUMUNQKAPTOW-UHFFFAOYSA-N,2,1,0.524,4,241,441.929,4.307,5,0.401,0.67,1.0,0.49516825440339934,0.5908950723048455,0.1670207662257556,0.22028133781097936,0.368341357686245
EOS-2-11968,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cncs5)ncn4)n23)s1,LSLKSRZMBHCFIK-UHFFFAOYSA-N,2,1,0.441,18,194,441.929,4.041,5,0.392,0.61,0.998,0.5815571242546775,0.5704629566170927,0.22100952642039615,0.2853471317935714,0.41459418477143445
EOS-2-11969,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)s1,KYDMBDAJPIFNTJ-UHFFFAOYSA-N,2,1,0.471,92,875,441.929,4.307,5,0.401,0.69,1.0,0.45174251250771025,0.5659481872387088,0.21060071276814474,0.26177952162291823,0.3725177335343705
EOS-2-11970,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)s5)n34)cn2)cs1,YIDHZTLKGCSROX-UHFFFAOYSA-N,2,1,0.53,55,283,441.929,4.307,5,0.401,0.72,1.0,0.5847354533616613,0.6529367418271538,0.1896460146665753,0.19984065519841,0.4067897162634501
EOS-2-11971,Cc1cc(COc2cncc3nnc(-c4cc(-c5csc(Cl)c5)ncn4)n23)sn1,MWOCSIYZQLLNKM-UHFFFAOYSA-N,2,1,0.477,46,395,441.929,4.307,5,0.401,0.57,0.921,0.4583990130902611,0.46568946610924544,0.22800870399561374,0.27053491878555275,0.3556580254951683
EOS-2-11972,Clc1sccc1CCOc1cncc2nnc(-c3cc(-c4cncs4)ncn3)n12,ZYGPPNCZFVDEKZ-UHFFFAOYSA-N,2,1,0.449,18,194,441.929,4.041,5,0.392,0.55,0.997,0.5491398807484066,0.5520954698101569,0.2604859159756014,0.32229627852785964,0.4210043862655061
EOS-2-11973,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)ccn2)s1,OFCARTZGYYMCMY-UHFFFAOYSA-N,2,1,0.542,4,43,441.929,4.307,5,0.401,0.65,1.0,0.4656037968610787,0.542603317113289,0.19647385374545953,0.2028647796586937,0.3518864368446303
EOS-2-11974,Cc1cc(-c2nnc3cncc(OCc4nnc(-c5ccns5)s4)n23)ccc1Cl,GQXMZKDGSYRGIQ-UHFFFAOYSA-N,2,1,0.494,4,534,441.929,4.307,5,0.401,0.69,1.0,0.4422246590363923,0.6332071139743678,0.15748577890480434,0.2586183263655678,0.372883969570283
EOS-2-11975,Cc1nnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)s1,KFQQBLDRGKGAAC-UHFFFAOYSA-N,2,1,0.438,53,122,441.929,4.307,5,0.401,0.66,1.0,0.41012439174833804,0.4790281680487972,0.17012199300938935,0.22028990473579604,0.31989111438558016
EOS-2-11976,Clc1sccc1CCOc1cncc2nnc(-c3cncc(-c4ncsn4)c3)n12,NYAFAZUFFQEHDH-UHFFFAOYSA-N,2,1,0.506,65,131,441.929,4.041,5,0.392,0.58,1.0,0.5491484476732232,0.5861404290315948,0.26760503049825235,0.34144335549311217,0.4360843156740457
EOS-2-11977,Cc1ncc(-c2ncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)s2)cn1,WGXQTSIMTLEZCA-UHFFFAOYSA-N,2,1,0.471,7,441,441.929,4.307,5,0.401,0.65,1.0,0.47813720786786373,0.5521040367349737,0.18641628401069152,0.214901309026112,0.3578897094099102
EOS-2-11978,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5nncs5)c4)n23)s1,JXPLHGQCLLGGNB-UHFFFAOYSA-N,2,1,0.473,87,838,441.929,4.041,5,0.392,0.72,1.0,0.6104704955109314,0.6967822630388596,0.242495373860599,0.3162908642313755,0.4665097491604414
EOS-2-11979,Cc1nc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ncn2)cs1,RFEALSQOXPYZKY-UHFFFAOYSA-N,2,1,0.449,46,395,441.929,4.307,5,0.401,0.68,0.985,0.5287248989102872,0.4877835652114317,0.25662223288328423,0.2795044890686039,0.3881587965184018
EOS-2-11980,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)c2)s1,MICNPRIYMHUSEN-UHFFFAOYSA-N,2,1,0.518,72,506,441.929,4.307,5,0.401,0.6,1.0,0.510365979028168,0.5704715235419094,0.1513432938112535,0.18071927900760743,0.35322501884723456
EOS-2-11981,Cc1cccc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,YOEONMOGMPGPHZ-UHFFFAOYSA-N,2,1,0.645,1,230,441.922,5.703,5,0.35,0.81,1.0,0.9563600849838941,0.9310019875265575,0.8490165170310465,0.8233671441299432,0.8899364334178603
EOS-2-11982,Cc1cccc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,LHLJJOYTAAUIJT-UHFFFAOYSA-N,2,1,0.608,1,347,441.922,5.703,5,0.35,0.79,1.0,0.8613700226166815,0.9262387773284901,0.8568038516893975,0.8373654992803783,0.8704445377287369
EOS-2-11983,Cc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)cc3)n12,YOSDXCXSNMAPHQ-UHFFFAOYSA-N,2,1,0.653,91,497,441.922,5.437,5,0.351,0.83,1.0,0.9670773079295456,0.9621770269344116,0.7557826742512508,0.7890908779384552,0.8685319717634158
EOS-2-11984,Cc1cccc(C)c1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)cc4)c3)n12,VEPUVWSIXQWLMN-UHFFFAOYSA-N,2,1,0.562,1,137,441.922,5.703,5,0.35,0.79,1.0,0.7177455280652457,0.7696782263038859,0.8818621067781509,0.870459529847166,0.8099363477486122
EOS-2-11985,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ccncc5C)cc4)n23)ccc1Cl,UCWAHCWKHHTTJG-UHFFFAOYSA-N,2,1,0.582,1,230,441.922,5.703,5,0.35,0.76,1.0,0.8677866493043657,0.8743489137139332,0.9127030361181551,0.8900178192036187,0.8862141045850181
EOS-2-11986,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)ccc1Cl,DHJRUHDQTZEFJO-UHFFFAOYSA-N,2,1,0.646,1,883,441.922,5.437,5,0.351,0.79,1.0,0.957165375916661,0.9463881844972929,0.8273593310945103,0.8314286203824275,0.890585377972723
EOS-2-11987,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)nn2C)cn1,YQVKBZCBZHDXTQ-UHFFFAOYSA-N,2,1,0.444,31,569,441.908,2.657,5,0.399,0.62,0.983,0.2462733877047495,0.18653622095812486,0.052223973682406964,0.06915221712014255,0.13854644986635595
EOS-2-11988,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5cncs5)n(C)n4)n23)n1,TVMRGBVYBGJJBP-UHFFFAOYSA-N,2,1,0.433,31,569,441.908,2.657,5,0.399,0.59,1.0,0.24336920019189912,0.22958501816188062,0.03647796586937153,0.05643890069220753,0.1414677712288397
EOS-2-11989,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2cccc(C#N)c2)n1,ICFLNGPJXOBIEP-UHFFFAOYSA-N,2,1,0.598,43,909,441.882,4.296,5,0.403,0.75,1.0,0.6445582893564527,0.8538996641765472,0.7812521417312042,0.8045798780069906,0.7710724933177987
EOS-2-11990,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cc1,PFKVSFZZTJYJPN-UHFFFAOYSA-N,2,1,0.548,43,230,441.882,4.39,5,0.401,0.72,1.0,0.7771742855184703,0.7825029127544376,0.8685148379137825,0.8294667945994106,0.8144147076965254
EOS-2-11991,Cn1nc(-c2ccc(Cl)cc2)cc1COc1cncc2nnc(-c3ccc(C#N)cc3)n12,ZRFOPHXUCQSIKA-UHFFFAOYSA-N,2,1,0.598,43,372,441.882,4.296,5,0.403,0.78,1.0,0.7714001781920362,0.9023798917140703,0.7857069426358714,0.8024467137276403,0.8154834315674045
EOS-2-11992,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccc(C#N)cc2)n1,WLHNFHZIVZGKOM-UHFFFAOYSA-N,2,1,0.636,43,230,441.882,4.296,5,0.403,0.77,1.0,0.7114488383249948,0.8850747035844013,0.7917637584812556,0.8133267082448085,0.8004035021588651
EOS-2-11993,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)c2)cn1,LSFQMTRBBPRWBC-UHFFFAOYSA-N,2,1,0.561,43,623,441.882,4.296,5,0.403,0.73,1.0,0.745074018230416,0.8476458090603797,0.8959118634774861,0.8760622986772668,0.8411734973613871
EOS-2-11994,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)nc1F,AESMBSUCOXOTEA-UHFFFAOYSA-N,2,1,0.418,46,223,441.879,4.02,5,0.383,0.59,0.996,0.5649715578096086,0.5861489959564115,0.5518213282160236,0.5622901103419916,0.5663079980810088
EOS-2-11995,Cn1nc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1ccc(Cl)c(F)c1,BYOHCNZNRXTWCW-UHFFFAOYSA-N,2,1,0.477,95,998,441.879,4.02,5,0.409,0.6,1.0,0.4262045096292235,0.47018710163799604,0.5416352546090055,0.6151394695360154,0.5132915838530602
EOS-2-11996,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccc2F)n[nH]1,AHCVOBCZNVIZAJ-UHFFFAOYSA-N,2,1,0.494,47,554,441.879,4.318,5,0.436,0.64,1.0,0.7799157014598039,0.8338701939551778,0.5416438215338222,0.5845812487149613,0.6850027414159414
EOS-2-11997,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)cc2F)n1,OTXCFMYPQUHQGM-UHFFFAOYSA-N,2,1,0.536,4,554,441.879,4.02,5,0.409,0.67,1.0,0.5386453978479885,0.637970324172435,0.5552823658419573,0.5590860804605579,0.5727460420807347
EOS-2-11998,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)[nH]c1F,IFTJYQKXSHCQIK-UHFFFAOYSA-N,2,1,0.451,55,239,441.879,4.318,5,0.436,0.6,1.0,0.607720512644781,0.7480981426906997,0.48675553423343154,0.5025872112946337,0.5862903502158865
EOS-2-11999,Cn1nc(-c2cccs2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,CFAZFQNLNJMJMQ-UHFFFAOYSA-N,2,1,0.512,36,446,441.879,4.02,5,0.409,0.72,0.997,0.5679185799465424,0.7654118977451854,0.24599067918579948,0.389983551504352,0.4923261770954698
EOS-2-12000,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)cc1F,VVDOIMOLRPKYDJ-UHFFFAOYSA-N,2,1,0.53,16,610,441.879,4.02,5,0.409,0.63,1.0,0.6691881982043726,0.6918305804948256,0.6005328627235967,0.6236292920293331,0.6462952333630321
EOS-2-12001,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1F,PYJHOYRMSOXIFM-UHFFFAOYSA-N,2,1,0.529,36,554,441.879,4.02,5,0.409,0.64,1.0,0.5152319923240354,0.647822287711603,0.6215989308477828,0.6612637927489549,0.6114792509080941
EOS-2-12002,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)s4)n23)cc1F,SUGHFBZEPWRFJB-UHFFFAOYSA-N,2,1,0.542,4,911,441.879,4.02,5,0.409,0.65,1.0,0.6077290795695977,0.6379788910972517,0.555290932766774,0.5782502912754438,0.5948122986772668
EOS-2-12003,Cn1cncc1-c1ncsc1-c1nnc2cncc(OCc3ccc(Cl)cc3F)n12,LQHZAQNOTLGQGH-UHFFFAOYSA-N,2,1,0.488,55,624,441.879,4.02,5,0.409,0.65,1.0,0.48035604139538074,0.4569683366458776,0.5246898773216366,0.602434720032897,0.516112243848948
EOS-2-12004,Cn1nc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)cc1-c1ccc(F)nc1,YCQQAZINFMCQBB-UHFFFAOYSA-N,2,1,0.443,95,694,441.879,4.02,5,0.383,0.69,1.0,0.4286032485778905,0.4394575423206086,0.5718336645877595,0.5995305325200466,0.5098562470015764
EOS-2-12005,Cn1cncc1-c1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)s1,AHEVXDCHYNRZLX-UHFFFAOYSA-N,2,1,0.511,16,446,441.879,4.02,5,0.409,0.64,1.0,0.6661298060448222,0.7296021520115139,0.4797477897333973,0.5460129531903228,0.605373175245014
EOS-2-12006,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)n4)n23)cc1F,SYFCZRZBLHCFNQ-UHFFFAOYSA-N,2,1,0.536,4,554,441.879,4.02,5,0.409,0.66,1.0,0.6299945171681174,0.6770783359605236,0.6035912548831471,0.5995390994448633,0.6275508018641629
EOS-2-12007,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)s1,GKQHIAHHCOPXCV-UHFFFAOYSA-N,2,1,0.511,36,10,441.879,4.02,5,0.409,0.69,1.0,0.630003084092934,0.7696867932287026,0.4622369954081283,0.5460215201151395,0.6019870982112261
EOS-2-12008,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)[nH]c1F,UDZIWGKDEJCXFX-UHFFFAOYSA-N,2,1,0.506,4,239,441.879,4.318,5,0.436,0.54,1.0,0.6300116510177507,0.7204783770817628,0.4933520663422658,0.5090980741553012,0.5882350421492701
EOS-2-12009,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)sn1,QKZVKNNZOOEFME-UHFFFAOYSA-N,2,1,0.554,16,391,441.879,4.02,5,0.409,0.64,1.0,0.6903913371256254,0.7739531217874032,0.587528270851895,0.6324360907408677,0.6710772051264478
EOS-2-12010,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2F)n1,MAVVRZBKWNESEQ-UHFFFAOYSA-N,2,1,0.554,36,610,441.879,4.02,5,0.409,0.67,1.0,0.6077376464944144,0.756913508327051,0.5416523884586388,0.5719621684600096,0.6195664279350284
EOS-2-12011,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cc(-c4cscn4)n[nH]3)n12,GWYLUGPMAZXOTF-UHFFFAOYSA-N,2,1,0.5,84,963,441.879,4.052,5,0.427,0.6,0.898,0.5287334658351038,0.5104259475018847,0.5811630457131108,0.6612723596737715,0.5703987046809678
EOS-2-12012,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cs2)cn1,RADXAMOWNZMZKZ-UHFFFAOYSA-N,2,1,0.523,4,10,441.879,4.02,5,0.409,0.71,1.0,0.45396991296004385,0.6869217325748749,0.5108799945171681,0.5590946473853745,0.5527165718593654
EOS-2-12013,Fc1cc(-c2nnc3cncc(OCCc4cnsc4Cl)n23)ccc1-c1cc[nH]n1,WTODKMAXTNCWLE-UHFFFAOYSA-N,2,1,0.558,37,619,441.879,4.052,5,0.427,0.55,1.0,0.7941453635802892,0.765420464670002,0.5582036872044411,0.6470683983277363,0.6912094784456171
EOS-2-12014,Cc1ccsc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)on1,PNFPLPLJZHZIJG-UHFFFAOYSA-N,2,1,0.523,59,389,441.875,5.188,5,0.373,0.71,1.0,0.8657305873483654,0.8717274347200329,0.6868617641011583,0.7232369268727298,0.7868891782605716
EOS-2-12015,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5scnc5Cl)n34)cn2)o1,RNWOLZSRUWYEAZ-UHFFFAOYSA-N,2,1,0.489,58,981,441.864,2.38,5,0.408,0.6,0.999,0.4976954972243164,0.5197895963265027,0.05223254060722363,0.06566547871975875,0.2838457782194504
EOS-2-12016,O=c1[nH]nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)o1,SCKWVFVMRHVGGY-UHFFFAOYSA-N,2,1,0.495,58,819,441.86,2.866,5,0.426,0.57,0.953,0.567927146871359,0.5197981632513193,0.16072407648550477,0.2028733465835104,0.3628306832979234
EOS-2-12017,Fc1ccc(-c2cc3c(-c4cncc5nnc(-c6ccc(Cl)cc6)n45)cccn3n2)cn1,VWBQFOLJYHZREQ-UHFFFAOYSA-N,2,1,0.397,3,192,441.857,4.961,6,0.363,0.77,0.999,0.2728308546364197,0.5474864642587897,0.8507813035432801,0.9076742512507711,0.6446932184223151
EOS-2-12018,N#Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)cc1,XHCQEKLBUCPRHZ-UHFFFAOYSA-N,2,1,0.544,83,163,441.853,5.915,5,0.346,0.81,1.0,0.9670858748543623,0.988134809128915,0.9811270646288808,0.9872010143238983,0.9808871907340141
EOS-2-12019,Fc1c(Cl)ccc(Oc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1F,MOAUZJCMVRNWJI-UHFFFAOYSA-N,2,1,0.425,13,573,441.85,5.639,5,0.338,0.74,1.0,0.7114574052498115,0.7608628606675348,0.9466109245425263,0.9524021657185937,0.8428333390446165
EOS-2-12020,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c(F)c1Cl,VUHQIJYQNJCMJQ-UHFFFAOYSA-N,2,1,0.488,13,110,441.85,5.639,5,0.338,0.74,1.0,0.8385991364539784,0.8188095401274759,0.95071448152971,0.9543554245767939,0.8906196456719895
EOS-2-12021,Fc1c(Cl)ccc(Oc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)c1F,WHXSNBMDEAUWSK-UHFFFAOYSA-N,2,1,0.5,13,145,441.85,5.639,5,0.338,0.73,1.0,0.845289904735796,0.8338787608799945,0.9559745733671441,0.9576622575560277,0.8982013741347405
EOS-2-12022,Clc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n1,GFZXLNQTJCSSFB-UHFFFAOYSA-N,2,1,0.343,56,7,441.846,2.873,6,0.442,0.62,1.0,0.005234391062984031,0.1209821122609828,0.27523816050990335,0.3352152011513947,0.18416746624631622
EOS-2-12023,Clc1ccc(-c2cn(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)cn1,RBBJWRKBEXJGDP-UHFFFAOYSA-N,2,1,0.489,56,7,441.846,2.873,6,0.413,0.65,1.0,0.010922829141251457,0.15393907203070387,0.2826828181755877,0.36417997395654855,0.2029311733260229
EOS-2-12024,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cn4)n23)n1,HCJDTCLLHOTPNA-UHFFFAOYSA-N,2,1,0.278,10,952,441.846,2.873,6,0.442,0.65,0.659,0.03829415393050511,0.2044068261256939,0.12193304091563292,0.2525872112946337,0.1543053080666164
EOS-2-12025,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,LHAQSAUJDBMKSR-UHFFFAOYSA-N,2,1,0.306,3,973,441.846,2.872,6,0.442,0.6,1.0,0.1109759440751148,0.255105887190734,0.1422195188815023,0.27335343705023646,0.1954136967993969
EOS-2-12026,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)cc1,VMNPFPLSJIYHHZ-UHFFFAOYSA-N,2,1,0.346,3,973,441.846,2.872,6,0.442,0.65,1.0,0.06761873757795901,0.24511685285449936,0.2710318004249195,0.39281920361866907,0.24414664861901172
EOS-2-12027,Clc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnn6)nn5)n34)cc2)n[nH]1,XNXZYNBWEOLKQV-UHFFFAOYSA-N,2,1,0.324,98,620,441.846,2.873,6,0.442,0.6,1.0,0.010220341306284696,0.157545747378521,0.24599924611061613,0.3542080734699472,0.19199335206634227
EOS-2-12028,N#Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,NLKBDMGHQJHTTB-UHFFFAOYSA-N,2,1,0.383,18,565,441.842,3.142,5,0.377,0.69,1.0,0.6049533959289973,0.6379874580220684,0.5582122541292578,0.5391679802618052,0.5850802720855321
EOS-2-12029,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)cc1,PMILTYFYWQGNRO-UHFFFAOYSA-N,2,1,0.359,3,158,441.842,3.742,6,0.406,0.75,1.0,0.08414433554931122,0.25511445411555067,0.3409636077033788,0.48056164759098075,0.2901960112398053
EOS-2-12030,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)c1,ICTNNVBKTIASCU-UHFFFAOYSA-N,2,1,0.333,3,158,441.842,3.742,6,0.406,0.75,1.0,0.07556884380782675,0.23433109451031459,0.3227331916935097,0.46854225207319583,0.2752938455212117
EOS-2-12031,N#Cc1cnccc1-c1ccc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)cn1,RZNBSAHHYWLMQX-UHFFFAOYSA-N,2,1,0.477,55,434,441.842,3.142,5,0.377,0.62,1.0,0.7742015626070866,0.7569220752518676,0.6035998218079638,0.5782588582002605,0.6782455794667946
EOS-2-12032,N#Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,IRCVWQFVCWUJIG-UHFFFAOYSA-N,2,1,0.398,51,62,441.842,3.142,5,0.404,0.67,1.0,0.6300202179425674,0.6097508738263313,0.5449934891371393,0.5391765471866219,0.5809852820231649
EOS-2-12033,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)cn1,NWHNBRCWVMFKMI-UHFFFAOYSA-N,2,1,0.398,46,238,441.842,3.142,5,0.377,0.66,1.0,0.630028784867384,0.6425193612500857,0.6036083887327804,0.587579672400795,0.6159340518127613
EOS-2-12034,N#Cc1cc(Cl)cnc1-c1ccnc(-c2nnc3cncc(OCc4ncccn4)n23)c1,ASCVGQVHEAAVPK-UHFFFAOYSA-N,2,1,0.372,51,181,441.842,3.142,5,0.404,0.64,1.0,0.6300373517922007,0.5808546364197108,0.4080169282434377,0.44316702076622577,0.5155189843053938
EOS-2-12035,N#Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)c2)nc1,UCYBQFDQTGKBHI-UHFFFAOYSA-N,2,1,0.438,2,434,441.842,3.142,5,0.377,0.65,1.0,0.7420327599204989,0.6967908299636763,0.6125094236172983,0.590646631485162,0.6604949112466588
EOS-2-12036,N#Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccncc5)nn4)n23)c(Cl)c1,PYWNSLOTKBVIMG-UHFFFAOYSA-N,2,1,0.494,4,534,441.842,3.142,5,0.404,0.71,1.0,0.6019635391679803,0.8228873963402097,0.5038379823178671,0.5622986772668083,0.6227468987732163
EOS-2-12037,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)nn1,GTXOUEIZRMKMFT-UHFFFAOYSA-N,2,1,0.465,72,19,441.842,3.142,5,0.404,0.67,1.0,0.8209684051812761,0.8688746487560826,0.4410509903365088,0.4653210883421287,0.6490537831539991
EOS-2-12038,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)o2)cc1,XTQMDWZCTAASLG-UHFFFAOYSA-N,2,1,0.382,3,641,441.842,3.947,6,0.436,0.71,1.0,0.22712631073949696,0.4790367349736139,0.37900075388938387,0.4805702145157974,0.39143350352957307
EOS-2-12039,N#Cc1cc(-c2nnc3cncc(OCc4ncc(-c5ccncn5)cn4)n23)ccc1Cl,XSRYSCPCVCHOPY-UHFFFAOYSA-N,2,1,0.489,51,969,441.842,3.142,5,0.404,0.69,1.0,0.8523747515591803,0.922554999657323,0.5940048660132958,0.5937392913439792,0.7406684771434446
EOS-2-12040,N#Cc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4cncnc4)nc3)n12,NPCSRZVQWQAUJC-UHFFFAOYSA-N,2,1,0.444,55,435,441.842,3.142,5,0.404,0.62,1.0,0.8026951545473237,0.8338873278048112,0.6538962374066205,0.635468782125968,0.7314868754711809
EOS-2-12041,N#Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cccnn5)n34)c2)cc1Cl,MJTSEUZLRWJPNU-UHFFFAOYSA-N,2,1,0.446,46,160,441.842,3.142,5,0.404,0.69,1.0,0.5564389006922075,0.5861575628812281,0.5108885614419848,0.5193098485367692,0.5431987183880473
EOS-2-12042,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)o2)c1,DDDSGHBVWFRLHE-UHFFFAOYSA-N,2,1,0.37,3,641,441.842,3.947,6,0.436,0.69,1.0,0.1410201494071688,0.4030823795490371,0.35988794462339796,0.4685508189980125,0.3431353231444041
EOS-2-12043,N#Cc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)ncc4Cl)n23)cn1,AMTUMCKPLQTTKV-UHFFFAOYSA-N,2,1,0.506,2,85,441.842,3.142,5,0.404,0.71,1.0,0.7450825851552326,0.8228959632650263,0.39738537454595296,0.42767802069769034,0.5982604859159756
EOS-2-12044,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)n1,SFAQTJYCZUUUBP-UHFFFAOYSA-N,2,1,0.317,3,150,441.842,3.742,6,0.38,0.68,1.0,0.04133541224042218,0.14991261736686998,0.42261496813103966,0.47460763484339663,0.2721176581454321
EOS-2-12045,N#Cc1cncc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)c1,OJTOMXIXPUMEPI-UHFFFAOYSA-N,2,1,0.394,2,511,441.842,3.142,5,0.404,0.67,1.0,0.6019721060927969,0.5755774107326435,0.6483705708998698,0.6848142690699747,0.6276835891988212
EOS-2-12046,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cn5)n34)cn2)n1,YDRPHURIZATRHS-UHFFFAOYSA-N,2,1,0.279,70,664,441.842,3.742,6,0.38,0.69,0.686,0.025640805976286752,0.10851723665273114,0.330049345486944,0.38999211842916864,0.2135498766362826
EOS-2-12047,Clc1cc(-c2c[nH]nn2)ncc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,KKRDABYPSBOQGD-UHFFFAOYSA-N,2,1,0.321,42,725,441.842,3.947,6,0.436,0.71,1.0,0.2541206908368172,0.33080323487081076,0.5683469261873758,0.6264306764443835,0.4449253820848469
EOS-2-12048,N#Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)ccc1Cl,CHKDYPIAXUUUPK-UHFFFAOYSA-N,2,1,0.473,7,817,441.842,3.142,5,0.404,0.69,1.0,0.7420413268453157,0.902388458638887,0.6539048043314372,0.6441213761908026,0.7356139915016107
EOS-2-12049,N#Cc1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,FPMHEPZAYBPVLR-UHFFFAOYSA-N,2,1,0.542,51,335,441.842,3.142,5,0.404,0.75,1.0,0.8912771571516689,0.954946542389144,0.42262353505585637,0.44956651360427663,0.6796034370502365
EOS-2-12050,N#Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnc(Cl)cn5)n4)n23)cc1,BXFXYTPSQGGARC-UHFFFAOYSA-N,2,1,0.495,89,731,441.842,3.142,5,0.404,0.69,1.0,0.8360547597834281,0.9110496196285381,0.45183674868069357,0.48057878144061406,0.6698799773833184
EOS-2-12051,Clc1ccc(-c2nnn(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)cn1,ZPFZTMVSGXUWQG-UHFFFAOYSA-N,2,1,0.324,98,973,441.842,3.742,6,0.38,0.73,0.997,0.04273182098553903,0.15394763895552052,0.27524672743472,0.42138989788225617,0.22332902131450894
EOS-2-12052,C#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ccn2)cn1,UEFUNXWLDCWIDO-UHFFFAOYSA-N,2,1,0.424,51,441,441.842,2.647,5,0.299,0.64,1.0,0.5259834829689535,0.6478308546364198,0.28269138510040437,0.2705434857103694,0.4317623021040367
EOS-2-12053,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nn2)cn1,WMAPXBFGRXZIMO-UHFFFAOYSA-N,2,1,0.435,54,670,441.842,3.142,5,0.377,0.71,1.0,0.5259920498937701,0.6332156808991845,0.46224556233294495,0.48969398944554865,0.527786820642862
EOS-2-12054,Clc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cn2)n1,YLPDENKWKODHPJ-UHFFFAOYSA-N,2,1,0.349,42,150,441.842,3.742,6,0.406,0.72,1.0,0.034070659995887875,0.13867281200740184,0.43353779727229114,0.4897025563703653,0.27399595641148655
EOS-2-12055,Clc1cnc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)nc1,YUBBJRJWGMGUHS-UHFFFAOYSA-N,2,1,0.301,42,635,441.842,3.742,6,0.406,0.67,1.0,0.06229011034199164,0.16533308203687205,0.21060927969296142,0.3254060722363101,0.19090963607703382
EOS-2-12056,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5conc5-c5ccccc5)n34)n2)cc1,KTTIWNWFBKBNQN-UHFFFAOYSA-N,2,1,0.321,3,158,441.842,3.742,6,0.406,0.66,1.0,0.04704098416832294,0.134980467411418,0.1930213830443424,0.38330991707216777,0.1895881879240628
EOS-2-12057,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)o2)cn1,JCKGUTBIUYDDQA-UHFFFAOYSA-N,2,1,0.305,3,641,441.842,3.947,6,0.408,0.65,1.0,0.2079278322253444,0.3932218490850524,0.389906449181002,0.47759749160441367,0.3671634055239531
EOS-2-12058,N#Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)cn5)cn4)n23)cc1,SASFSLBUTHBKDS-UHFFFAOYSA-N,2,1,0.524,7,408,441.842,3.142,5,0.404,0.7,1.0,0.8636059899938319,0.9187855527379891,0.5313806456034542,0.5491570145980399,0.7157323007333287
EOS-2-12059,N#Cc1cc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)ccc1Cl,NDXVUEVZQANQRY-UHFFFAOYSA-N,2,1,0.494,51,969,441.842,3.142,5,0.404,0.69,1.0,0.8155112740730588,0.9280635323144404,0.5750805290932767,0.584589815639778,0.7258112877801384
EOS-2-12060,N#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)cn1,SSJCHXICUUSODB-UHFFFAOYSA-N,2,1,0.547,51,441,441.842,3.142,5,0.404,0.78,1.0,0.5874940031526283,0.6869302994996916,0.5074874922897676,0.4958621753135494,0.5694434925639092
EOS-2-12061,Clc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nn1,BENUVWCAEJELIX-UHFFFAOYSA-N,2,1,0.31,3,39,441.842,3.742,6,0.406,0.69,1.0,0.04862586525940649,0.20928997327119458,0.4044616544445206,0.5225053114933863,0.29622070111712695
EOS-2-12062,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)c1,XKMMGUXKSFYXJM-UHFFFAOYSA-N,2,1,0.326,3,39,441.842,3.742,6,0.406,0.73,1.0,0.05179562744157357,0.18208142005345762,0.4335463641971078,0.5391851141114385,0.30165213145089437
EOS-2-12063,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cn1,YGCNVFICRBQTNS-UHFFFAOYSA-N,2,1,0.433,51,196,441.842,3.142,5,0.404,0.68,1.0,0.7510965663765334,0.8150572270577754,0.46225412925776166,0.46855938592282914,0.6242418271537249
EOS-2-12064,Fc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)cs1,WQYXLIDCWQCCTB-UHFFFAOYSA-N,2,1,0.379,54,924,441.839,2.866,5,0.405,0.58,0.756,0.5564474676170242,0.5289476389555205,0.13016585566445069,0.19160784044959223,0.3517922006716469
EOS-2-12065,Fc1cnc(Cl)nc1COc1cncc2nnc(-c3ccc(-c4cncs4)nn3)n12,DCIFNOQNRIFPIQ-UHFFFAOYSA-N,2,1,0.407,53,411,441.839,2.866,5,0.379,0.63,0.895,0.5438712219861559,0.5954955109313961,0.170130559934206,0.23215509560688094,0.3854130971146597
EOS-2-12066,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)o2)cc1,SDLPNHBTQFIPHX-UHFFFAOYSA-N,2,1,0.397,3,641,441.838,4.817,6,0.383,0.73,1.0,0.27524672743472,0.4831231581111644,0.5484545267630732,0.6441299431156192,0.4877385888561442
EOS-2-12067,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)o2)cc1,YHSVXYJTLLKMSE-UHFFFAOYSA-N,2,1,0.397,3,641,441.838,4.817,6,0.383,0.8,1.0,0.26488931533136867,0.4656980330340621,0.5108971283668015,0.5965749434582962,0.4595148550476321
EOS-2-12068,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)o2)c1,VTFMRXYWKNOFBH-UHFFFAOYSA-N,2,1,0.385,3,641,441.838,4.817,6,0.383,0.79,1.0,0.22713487766431362,0.41245459529847167,0.5552994996915908,0.647076965252553,0.46049148447673227
EOS-2-12069,Clc1ccc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,JFIZDGOASFQSRP-UHFFFAOYSA-N,2,1,0.403,69,152,441.838,4.817,6,0.383,0.66,1.0,0.33057192790076073,0.4877921321362484,0.597251730518813,0.6699420875882394,0.5213894695360153
EOS-2-12070,Clc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)cn1,WNUARSSSFYHLAX-UHFFFAOYSA-N,2,1,0.321,38,983,441.838,4.817,6,0.358,0.78,1.0,0.33296209992461107,0.40769138510040437,0.49336063326708246,0.5906551984099787,0.45616732917551917
EOS-2-12071,Clc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,NBMNOFBCROLTKN-UHFFFAOYSA-N,2,1,0.338,9,38,441.838,4.817,6,0.383,0.71,1.0,0.35161229525049686,0.4352254814611747,0.7287026249057639,0.752424439723117,0.5669912103351381
EOS-2-12072,Clc1cc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)ccc1-c1nnco1,RDVXCOPOLQELBG-UHFFFAOYSA-N,2,1,0.346,69,38,441.838,4.817,6,0.383,0.77,1.0,0.3723099856075663,0.46155164142279487,0.7129566170927284,0.7498029607292166,0.5741553012130766
EOS-2-12073,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)o2)c1,LWLJILOPZIPKNH-UHFFFAOYSA-N,2,1,0.344,32,541,441.838,4.817,6,0.383,0.74,0.995,0.15778562127338772,0.28601535192927147,0.4518453156055102,0.57509766294291,0.36768598793776985
EOS-2-12074,Clc1cc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)ccc1-c1nnco1,SSTKWFRLXAAQEN-UHFFFAOYSA-N,2,1,0.338,9,38,441.838,4.817,6,0.383,0.75,1.0,0.38629977383318487,0.4744534301966966,0.7181481735316291,0.7498115276540334,0.5821782263038859
EOS-2-12075,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)o2)c1,PRVOPYARDPPOCI-UHFFFAOYSA-N,2,1,0.385,3,641,441.838,4.817,6,0.383,0.8,1.0,0.18843807826742512,0.3553303406209307,0.5246984442464533,0.6324446576656844,0.42522788020012336
EOS-2-12076,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c(F)cc2F)nn1,UODMACHJXMSBCH-UHFFFAOYSA-N,2,1,0.391,45,102,441.804,4.325,5,0.417,0.75,1.0,0.3377938455212117,0.5521126036597903,0.945454389692276,0.9637019395517785,0.6997656946062641
EOS-2-12077,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)cc1Cl,VCJMLZMDBVIPAB-UHFFFAOYSA-N,2,1,0.337,22,331,441.804,4.769,5,0.401,0.73,1.0,0.1798454526763073,0.519806730176136,0.9559831402919607,0.966734630936879,0.6555924885203208
EOS-2-12078,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,JHFMXTHZPMVJCL-UHFFFAOYSA-N,2,1,0.364,22,331,441.804,4.711,5,0.405,0.75,1.0,0.155095606880954,0.48313172503598106,0.9783171132890138,0.9744705640463299,0.6477537523130696
EOS-2-12079,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(C(F)F)c(Cl)c4)n23)nn1,KLSLZLJREBUUAJ-UHFFFAOYSA-N,2,1,0.326,22,997,441.804,4.769,5,0.401,0.69,1.0,0.07358131725035981,0.3887070797066685,0.9520080871770269,0.9658179699814955,0.5950286135288877
EOS-2-12080,Cn1c(-c2ccc(F)c(F)c2)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,TYSAKRJSIVKHMN-UHFFFAOYSA-N,2,1,0.424,45,252,441.804,4.325,5,0.417,0.7,1.0,0.3052223973682407,0.6869388664245083,0.8377081762730451,0.9241141799739565,0.6884959050099376
EOS-2-12081,Cn1c(-c2ccc(F)cc2F)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,OAUUMMFQLJHMQI-UHFFFAOYSA-N,2,1,0.443,45,252,441.804,4.325,5,0.417,0.73,1.0,0.2836423137550545,0.609759440751148,0.8085549311219244,0.9155301213076554,0.6543717017339457
EOS-2-12082,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(C(F)F)c5)n34)cn2)ccc1Cl,PMTGDMXNGXDAEA-UHFFFAOYSA-N,2,1,0.327,45,575,441.804,4.904,5,0.396,0.75,1.0,0.21585223768076212,0.47446199712151327,0.962810979370845,0.9637105064765952,0.6542089301624289
EOS-2-12083,Cc1nn(-c2ccc(F)c(F)c2)cc1-c1cncc2nnc(-c3cnc(Cl)c(F)c3)n12,LAGSOQHFTNSDIJ-UHFFFAOYSA-N,2,1,0.357,45,575,441.804,4.418,5,0.387,0.73,0.657,0.05180419436639024,0.3012901788773902,0.9145877595778219,0.9373072441916249,0.5512473442533068
EOS-2-12084,Fc1ccc(Cn2ncc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)cc1F,WVHYICNWVYMJPU-UHFFFAOYSA-N,2,1,0.409,45,102,441.804,4.169,5,0.418,0.79,1.0,0.37009115208004933,0.6478394215612364,0.9118206428620382,0.9504917414844767,0.7200607394969503
EOS-2-12085,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C(F)F)c5)cn4)n23)cc1Cl,KGLVUSFBOXWEPW-UHFFFAOYSA-N,2,1,0.367,45,575,441.804,4.904,5,0.396,0.79,1.0,0.2648978822561853,0.5104345144267014,0.9636848057021452,0.963067987115345,0.6755212973750943
EOS-2-12086,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cc1,GGCBSLYXZMHVCL-UHFFFAOYSA-N,2,1,0.333,22,331,441.804,4.711,5,0.405,0.78,1.0,0.10097834281406347,0.407699952025221,0.9823178671783976,0.9805702145157974,0.6178915941333699
EOS-2-12087,Fc1cc(-c2ncoc2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)ccc1Cl,ZEXQWLQDMYYPOD-UHFFFAOYSA-N,2,1,0.38,96,558,441.8,5.843,5,0.35,0.72,1.0,0.5028013844150504,0.752501542046467,0.9838256459461312,0.9875008566924817,0.8066573572750325
EOS-2-12088,Fc1cc(Cl)cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)c1Cl,AMKDFTLGOSXEKN-UHFFFAOYSA-N,2,1,0.61,90,255,458.202,5.23,4,0.31,0.65,1.0,0.971763415804263,0.9684994174491125,0.997421355630183,0.9971729148104996,0.9837142759235146
EOS-2-12089,Cn1nnnc1-c1cc(F)nc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,ZZESFIQFUPCEGK-UHFFFAOYSA-N,2,1,0.46,36,941,441.789,3.101,5,0.391,0.7,1.0,0.6300459187170173,0.8440477006373792,0.534893084778288,0.6264392433692002,0.6588564868754713
EOS-2-12090,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)cc1Cl,QIYWBCMICPYZBW-UHFFFAOYSA-N,2,1,0.523,47,6,441.789,2.877,5,0.442,0.7,1.0,0.7146528682064286,0.794899252964156,0.6949746419025427,0.7445343019669659,0.7372652662600232
EOS-2-12091,FC(F)Oc1ccccc1-c1nnc2cncc(-c3cn(-c4ncc(Cl)cn4)nn3)n12,WICZYHWZDAUECF-UHFFFAOYSA-N,2,1,0.407,50,243,441.789,3.084,5,0.409,0.61,0.999,0.0914690562675622,0.35036152422726335,0.5003169762182167,0.5906637653347955,0.3832028305119594
EOS-2-12092,Fc1ccc(-c2nnc3cncc(OCc4cn(-c5cncc(F)n5)nn4)n23)c(Cl)c1,XMNZSDJSBVWRMX-UHFFFAOYSA-N,2,1,0.721,73,446,441.789,2.673,5,0.409,0.66,1.0,0.2517819203618669,0.5198152971009526,0.45185388253032693,0.5815399904050442,0.4512477725995477
EOS-2-12093,Fc1cc(-c2nnc3cncc(OCc4nc(Cl)ccc4F)n23)ccc1-c1nn[nH]n1,DGBWJRJWCWGDFG-UHFFFAOYSA-N,2,1,0.467,47,6,441.789,2.877,5,0.413,0.68,1.0,0.7742101295319033,0.8266054417106435,0.612517990542115,0.6819100815571243,0.7238109108354466
EOS-2-12094,Cn1cnnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ncc(F)cc4F)n23)cn1,IUTBFWCUMAWQKU-UHFFFAOYSA-N,2,1,0.352,46,915,441.789,3.101,5,0.418,0.6,1.0,0.5438797889109726,0.552121170584607,0.40447022136933725,0.5025957782194503,0.5007667397710918
EOS-2-12095,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)no2)cn1,YLJLSRXFQLLHQX-UHFFFAOYSA-N,2,1,0.517,73,446,441.785,3.747,5,0.38,0.78,1.0,0.6932012884654924,0.7949078198889726,0.630054485641834,0.7128538139949284,0.7077543519978069
EOS-2-12096,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)nc1F,ONEGHVFMLOLBLT-UHFFFAOYSA-N,2,1,0.549,34,335,441.785,3.747,5,0.38,0.79,1.0,0.8840381056815846,0.9000496881639367,0.5651343293811254,0.6670464670002056,0.7540671475567131
EOS-2-12097,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)no2)nc1,SDMGRACTPJFVPS-UHFFFAOYSA-N,2,1,0.549,73,82,441.785,3.747,5,0.406,0.65,1.0,0.7997309985607566,0.8111078747172915,0.667706120211089,0.7232454937975464,0.7504476218216709
EOS-2-12098,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)no2)c1,SWGRLRWEMYEODC-UHFFFAOYSA-N,2,1,0.5,73,446,441.785,3.747,5,0.406,0.75,1.0,0.6932098553903091,0.7825114796792544,0.6216074977725995,0.7208210540744294,0.704537471729148
EOS-2-12099,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)cc5Cl)n34)no2)nc1,SFYWUSCUTQNSDU-UHFFFAOYSA-N,2,1,0.523,73,446,441.785,3.747,5,0.406,0.74,1.0,0.6357686244945514,0.7250531149338634,0.565142896305942,0.6848228359947913,0.652696867932287
EOS-2-12100,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)on2)nc1,BYLQRMHQJZTHSX-UHFFFAOYSA-N,2,1,0.523,73,665,441.785,3.747,5,0.406,0.68,1.0,0.9193938043999725,0.9047957645123706,0.6271674319786169,0.7070797066684943,0.7896091768898635
EOS-2-12101,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)no2)nc1,QZIMHSJNINEFLU-UHFFFAOYSA-N,2,1,0.512,73,756,441.785,3.747,5,0.406,0.8,1.0,0.7799242683846207,0.8476543759851963,0.6096737715029813,0.707088273593311,0.7360851723665273
EOS-2-12102,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cncc(Cl)c5)n4)n23)cc1F,UDHCABFXNYEETC-UHFFFAOYSA-N,2,1,0.512,73,756,441.785,3.747,5,0.406,0.75,1.0,0.8236241518744432,0.7782194503461037,0.6649818381193887,0.7445428688917826,0.7528420773079295
EOS-2-12103,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)no2)c1,WHXGIXYIRHFTKP-UHFFFAOYSA-N,2,1,0.512,73,756,441.785,3.747,5,0.406,0.77,1.0,0.8431396066068124,0.8338958947296279,0.6625659653210884,0.7445514358165993,0.771038225618532
EOS-2-12104,FC(F)Oc1cc(-c2nnc3cncc(-c4cnc(-c5ccon5)nc4)n23)ccc1Cl,CQTMIAWPCAICCH-UHFFFAOYSA-N,2,1,0.36,50,478,441.785,4.158,5,0.4,0.73,1.0,0.5733842779795765,0.7343996299088479,0.8471917620450963,0.8504900280995134,0.7513664245082585
EOS-2-12105,Fc1ncccc1-c1cc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)no1,YZXNOWGUXIJRLS-UHFFFAOYSA-N,2,1,0.426,46,223,441.785,3.747,5,0.38,0.62,0.879,0.5620159687478583,0.46570659995887875,0.6949832088273593,0.7421698307175656,0.6162189020629155
EOS-2-12106,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5cnc(Cl)c(F)c5)no4)n23)cc1,YYZGYDLTOZFXLZ-UHFFFAOYSA-N,2,1,0.549,73,539,441.785,3.747,5,0.38,0.82,1.0,0.8589113151942979,0.8823675553423344,0.6216160646974163,0.7128623809197451,0.7689393290384483
EOS-2-12107,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncno5)c(F)n4)n23)ccc1Cl,KWGJJWPXDUGZAJ-UHFFFAOYSA-N,2,1,0.573,46,223,441.785,3.747,5,0.38,0.64,1.0,0.7799328353094374,0.7159636077033787,0.7742015626070866,0.7981461174696731,0.767061030772394
EOS-2-12108,Cc1noc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(F)c2)n1,QJTQYQWXCLTOTM-UHFFFAOYSA-N,2,1,0.471,13,446,441.785,4.269,5,0.407,0.72,1.0,0.6873757795901583,0.7867264066890549,0.6512233568638202,0.681918648481941,0.7018110479062436
EOS-2-12109,Fc1cncc(-c2nnc(COc3cncc4nnc(-c5ccc(F)cc5Cl)n34)o2)c1,ALAVMUXTFUVMGR-UHFFFAOYSA-N,2,1,0.529,34,10,441.785,3.747,5,0.406,0.7,1.0,0.779941402234254,0.8406723322596121,0.6394866698649853,0.7369611404290316,0.7492653861969708
EOS-2-12110,Fc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cn5)o4)n23)cc1F,JFNQPBMRBHNTNE-UHFFFAOYSA-N,2,1,0.541,34,391,441.785,3.747,5,0.406,0.72,1.0,0.8965886505380029,0.9244225892673565,0.6271759989034337,0.7208296209992461,0.7922542149270098
EOS-2-12111,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cc2)o1,APXANCABDYIGDD-UHFFFAOYSA-N,2,1,0.47,13,724,441.785,3.978,5,0.435,0.65,1.0,0.7885083270509218,0.7296107189363306,0.8425142210951957,0.8215081214447262,0.7955353471317934
EOS-2-12112,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3ccc(-c4cnno4)nc3)n12,JEESIVPMZIJVQI-UHFFFAOYSA-N,2,1,0.5,59,772,441.785,3.747,5,0.38,0.69,1.0,0.7023079295456103,0.7481067096155164,0.8456325817284628,0.8538996641765472,0.7874867212665342
EOS-2-12113,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1ncon1,VCWALVSHIBJRDH-UHFFFAOYSA-N,2,1,0.53,73,526,441.785,3.747,5,0.406,0.69,1.0,0.8236327187992598,0.7654290315948187,0.7415444452059489,0.77501542046467,0.7764054040161743
EOS-2-12114,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)on2)nn1,IBKYSJZTCHCQHC-UHFFFAOYSA-N,2,1,0.554,59,389,441.785,3.747,5,0.406,0.67,1.0,0.9298454526763074,0.9386779521622918,0.7313069700500309,0.7799071345349873,0.8449343773559044
EOS-2-12115,Fc1cc(-c2nnc3cncc(OCc4cnnc(-c5cocn5)c4)n23)cc(F)c1Cl,FHHGQHGEHZFFJK-UHFFFAOYSA-N,2,1,0.494,59,389,441.785,3.747,5,0.38,0.56,1.0,0.8452984716606127,0.8717360016448495,0.8310431087656774,0.837374066205195,0.8463629120690837
EOS-2-12116,Fc1ccnc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)o2)c1,FCZLYXOHVSECKQ-UHFFFAOYSA-N,2,1,0.541,34,391,441.785,3.747,5,0.406,0.72,1.0,0.8743917483380166,0.9023970255637036,0.6300630525666506,0.7285398533342471,0.7838479199506545
EOS-2-12117,Fc1cc(F)cc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)no4)n23)c1,XJEVVCMHRBAVGL-UHFFFAOYSA-N,2,1,0.593,73,439,441.785,3.747,5,0.38,0.74,1.0,0.6077462134192311,0.7739616887122198,0.6216246316222329,0.7128709478445617,0.6790508703995614
EOS-2-12118,Fc1cc(Cl)c(-c2nnc3cncc(OCc4ncc(-c5cnoc5)cn4)n23)cc1F,AANWAUKTSNVLJA-UHFFFAOYSA-N,2,1,0.464,73,969,441.785,3.747,5,0.38,0.64,1.0,0.6873843465149749,0.7066599273524775,0.8063446645192242,0.819477760263176,0.7549666746624631
EOS-2-12119,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ccon5)cn4)n23)c(F)cc1Cl,WPCUMSZXVASVQL-UHFFFAOYSA-N,2,1,0.524,73,877,441.785,3.747,5,0.38,0.62,1.0,0.6753820848468234,0.7654375985196354,0.760314577479268,0.7865807689671716,0.7469287574532246
EOS-2-12120,FC(F)Oc1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)o4)n23)cc1,LMKMVVJVZOMODO-UHFFFAOYSA-N,2,1,0.513,96,121,441.785,4.158,5,0.374,0.76,0.999,0.7210009594955795,0.8266140086354602,0.804468507984374,0.8272479610718936,0.7948328592968268
EOS-2-12121,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)n4)n23)cc1F,QHNVTCCYOKHGSO-UHFFFAOYSA-N,2,1,0.58,59,294,441.785,3.747,5,0.38,0.7,0.997,0.8545850181618806,0.7654461654444521,0.7650263861284353,0.7981546843944898,0.7958030635323144
EOS-2-12122,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)o2)nn1,QLLHDQVVKLONBX-UHFFFAOYSA-N,2,1,0.506,34,10,441.785,3.747,5,0.406,0.65,1.0,0.8360633267082448,0.9110581865533548,0.6677146871359056,0.7259869097388801,0.7852057775340963
EOS-2-12123,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)nc5)n4)n23)cc1F,SIPNXTQARNZFPX-UHFFFAOYSA-N,2,1,0.524,73,756,441.785,3.747,5,0.38,0.76,1.0,0.8636145569186485,0.815065793982592,0.6704903707765061,0.7369697073538483,0.7715351072578986
EOS-2-12124,Fc1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4Cl)n23)ccc1-c1nnco1,XSMBTZONEKNKQX-UHFFFAOYSA-N,2,1,0.5,16,772,458.24,4.261,5,0.36,0.65,1.0,0.9077856212733877,0.847662942910013,0.8361661298060448,0.8655164142279488,0.8642827770543485
EOS-2-12125,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)no2)nc1,HNOOHOOHYJZCAE-UHFFFAOYSA-N,2,1,0.523,73,446,458.24,4.261,5,0.385,0.78,1.0,0.6445668562812693,0.7782280172709204,0.5651514632307587,0.7232540607223631,0.6778000993763279
EOS-2-12126,Fc1cc(Cl)cnc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)no1,MVPCMFKLODONFM-UHFFFAOYSA-N,2,1,0.549,73,335,458.24,4.261,5,0.385,0.75,1.0,0.8565554108697142,0.8440562675621959,0.5074960592145843,0.6903742032759921,0.7246204852306215
EOS-2-12127,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3noc(-c4cncc(Cl)c4)n3)n12,IVYOWHJYFPAHBJ-UHFFFAOYSA-N,2,1,0.5,73,446,458.24,4.261,5,0.385,0.77,1.0,0.67539065177164,0.7654547323692688,0.6245031183606332,0.7601689397573846,0.7063793605647316
EOS-2-12128,Fc1cc(-c2nnco2)cnc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,SWIBPGJDWBMVKC-UHFFFAOYSA-N,2,1,0.517,34,10,458.24,4.261,5,0.385,0.74,1.0,0.7269806730176136,0.8539082311013638,0.7440716880268659,0.8253461037625934,0.7875766739771092
EOS-2-12129,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)o2)cn1,CFEHFNJTNKMXHE-UHFFFAOYSA-N,2,1,0.529,34,10,458.24,4.261,5,0.36,0.76,1.0,0.7885168939757384,0.9000582550887534,0.6483791378246865,0.7677592351449524,0.7761783805085326
EOS-2-12130,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)o2)nc1,KJSVGDNROQPIEY-UHFFFAOYSA-N,2,1,0.535,34,10,458.24,4.261,5,0.385,0.74,1.0,0.7913011445411555,0.8904718662189021,0.5844184771434446,0.7369782742786649,0.7507924405455417
EOS-2-12131,Fc1ncc(Cl)cc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)no1,IHYBNWATBYOICX-UHFFFAOYSA-N,2,1,0.542,73,335,458.24,4.261,5,0.36,0.77,1.0,0.8565639777945309,0.8372284284833116,0.5811716126379275,0.7232626276471797,0.7495566616407374
EOS-2-12132,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cn5)n4)n23)cc1Cl,LSEOOYQCVWYRKB-UHFFFAOYSA-N,2,1,0.512,73,756,458.24,4.261,5,0.385,0.8,1.0,0.777182852443287,0.8266225755602769,0.6125265574669316,0.7473014186827497,0.7409083510383113
EOS-2-12133,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3noc(-c4cccc(Cl)n4)n3)n12,MASKARYUZDZLCI-UHFFFAOYSA-N,2,1,0.506,34,446,458.24,4.261,5,0.36,0.75,1.0,0.6598759509286547,0.7867349736138716,0.5382941539305051,0.6960797752038929,0.6702462134192311
EOS-2-12134,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3noc(-c4ccc(Cl)nc4)n3)n12,VAQHZGLFJKFQOV-UHFFFAOYSA-N,2,1,0.448,73,877,458.24,4.261,5,0.36,0.73,1.0,0.6722894249880063,0.72506168185868,0.5844270440682613,0.7232711945719964,0.6762623363717359
EOS-2-12135,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccon5)nn4)n23)c(Cl)cc1Cl,WUCQFLNWMKHXTN-UHFFFAOYSA-N,2,1,0.524,34,820,458.24,4.261,5,0.36,0.65,0.999,0.7269892399424303,0.7654632992940854,0.7415530121307655,0.8133352751696251,0.7618352066342265
EOS-2-12136,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)no2)nc1,RRJIHWDNCQXBIR-UHFFFAOYSA-N,2,1,0.512,73,756,458.24,4.261,5,0.385,0.8,1.0,0.7771914193681037,0.8508070043177302,0.609682338427798,0.744560002741416,0.7455601912137619
EOS-2-12137,Fc1cncc(Cl)c1COc1cncc2nnc(-c3ccc(Cl)c(-c4ncno4)c3)n12,PZVNRCFKIHIYOJ-UHFFFAOYSA-N,2,1,0.537,73,980,458.24,4.261,5,0.385,0.67,1.0,0.8803029264615174,0.8476715098348296,0.8219107669111095,0.8687889795079159,0.8546685456788432
EOS-2-12138,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)cc(Cl)c1Cl,ZZNSUCHDFQNWOT-UHFFFAOYSA-N,2,1,0.524,59,389,458.24,4.261,5,0.36,0.71,1.0,0.8262199300938935,0.8476800767596464,0.8198290041806593,0.8469775889246796,0.8351766499897197
EOS-2-12139,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3noc(-c4ccc(Cl)nc4)n3)n12,VUDQCGHJDADJJI-UHFFFAOYSA-N,2,1,0.517,73,446,458.24,4.261,5,0.36,0.75,1.0,0.6994208758823932,0.7911298060448222,0.6300716194914674,0.7524330066479337,0.7182638270166541
EOS-2-12140,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4ncon4)c(Cl)c3)n12,XXOVXJGYVPPFJQ-UHFFFAOYSA-N,2,1,0.53,73,526,458.24,4.261,5,0.385,0.63,1.0,0.7799499691590707,0.7296192858611473,0.7415615790555822,0.8110564731683915,0.7655468268110479
EOS-2-12141,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4ncc(Cl)n4)nn3)n12,IVDAYISPMBJWQA-UHFFFAOYSA-N,2,1,0.517,36,29,458.244,3.187,5,0.395,0.52,1.0,0.46561236378589543,0.6967993968884929,0.37120485230621614,0.5391936810362552,0.518202573504215
EOS-2-12142,Cn1nc(-c2nnc3cncc(Oc4cnc(Cl)c(F)c4)n23)cc1-c1cncnc1Cl,SGJBPFZSHGTOHZ-UHFFFAOYSA-N,2,1,0.343,95,956,458.244,3.615,5,0.297,0.59,0.657,0.3677866493043657,0.4259303680350901,0.5553080666164074,0.6382958673154684,0.4968302378178329
EOS-2-12143,Fc1cc(-c2nnc3cncc(OCc4nc(Cl)ccc4Cl)n23)ccc1-c1nn[nH]n1,LCXQDVBTCDEQCD-UHFFFAOYSA-N,2,1,0.467,47,6,458.244,3.391,5,0.398,0.71,1.0,0.7538636830923172,0.8372369954081283,0.6125351243917483,0.7259954766636968,0.7324078198889726
EOS-2-12144,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1n[nH]c(Cl)n1,AVDFQPHSKJHOQR-UHFFFAOYSA-N,2,1,0.478,47,164,458.244,3.391,5,0.426,0.7,1.0,0.7481238434651497,0.8150743609074087,0.5109056952916181,0.5965835103831129,0.6676718525118224
EOS-2-12145,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-n4cc(Cl)nn4)nn3)n12,IATZMUVTPGNHPE-UHFFFAOYSA-N,2,1,0.512,34,877,458.244,3.187,5,0.395,0.5,0.981,0.3305804948255774,0.5426118840381057,0.39356452607771913,0.5688438078267425,0.4589001781920362
EOS-2-12146,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cc(Cl)nn4)nn3)n12,UJXIVKCBBHVAEB-UHFFFAOYSA-N,2,1,0.517,36,10,458.244,3.187,5,0.395,0.48,1.0,0.39281063669385236,0.6624374614488383,0.44105955726132545,0.5995476663696799,0.523963830443424
EOS-2-12147,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)nn5)nn4)n23)ccc1Cl,FMWPFDKRGLZTGC-UHFFFAOYSA-N,2,1,0.529,36,391,458.244,3.187,5,0.395,0.55,1.0,0.4630679871153451,0.7344081968336645,0.48324309505859775,0.6264478102940169,0.576791772325406
EOS-2-12148,FCc1nc(-c2ccc(Cl)c(F)c2)c(-c2nnc3cncc(-c4ccccc4Cl)n23)o1,FTFIMWNUUARPBO-UHFFFAOYSA-N,2,1,0.364,45,102,458.255,6.029,5,0.329,0.74,1.0,0.3863083407580015,0.6193372626961826,0.8887499143307518,0.9530018504557604,0.711849342060174
EOS-2-12149,FC(F)c1ccc(-c2nnc3cncc(-c4cc(-c5nc(Cl)co5)ccc4Cl)n23)cc1,UEOZUCVBPCGOLE-UHFFFAOYSA-N,2,1,0.367,96,3,458.255,6.358,5,0.314,0.73,1.0,0.4493266397094099,0.7113631690768282,0.9838342128709479,0.9886830923171819,0.783301778493592
EOS-2-12150,Cc1onc(-c2ccc(F)c(Cl)c2)c1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,QRXXGCNFGFEKNB-UHFFFAOYSA-N,2,1,0.414,45,102,458.255,6.007,5,0.332,0.7,1.0,0.3863169076828182,0.6145826194229319,0.952702008087177,0.9781372078678637,0.7329346857651977
EOS-2-12151,Fc1cc(Cn2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c(F)cc1Cl,GBCJYPBNDZLRFD-UHFFFAOYSA-N,2,1,0.397,45,730,458.259,4.683,5,0.366,0.82,0.921,0.3495048317455966,0.6478479884860531,0.9017202385031869,0.9563686519087109,0.7138604276608869
EOS-2-12152,Cc1cc(-c2nnc3cncc(-c4n[nH]c(-c5cc(F)c(Cl)cc5F)n4)n23)ccc1Cl,ZEBNXMPWGXKMCI-UHFFFAOYSA-N,2,1,0.313,45,102,458.259,5.137,5,0.379,0.74,1.0,0.34951339867041326,0.5659567541635254,0.930111027345624,0.9641902542663285,0.7024428586114728
EOS-2-12153,Clc1cncc(COc2cncc3nnc(-c4cc(-c5nncs5)nc(Cl)n4)n23)c1,MMHCMLXGQZOPBD-UHFFFAOYSA-N,2,1,0.391,46,62,458.294,3.381,5,0.365,0.67,0.925,0.517870605167569,0.4657151668836954,0.19302994996915906,0.3223048454526763,0.3747301418682749
EOS-2-12154,Clc1ccc(-c2ccc3oc(-c4cncc5nnc(-c6ccc(Cl)cc6)n45)c3nc2)cc1,NQUJYNJYGBKDOM-UHFFFAOYSA-N,2,1,0.456,83,950,458.308,6.525,6,0.302,0.83,1.0,0.30761256939209103,0.6283753683777671,0.9080854636419711,0.958193406894661,0.7005667020766225
EOS-2-12155,Brc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,BLSWCIGNHSFFDM-UHFFFAOYSA-N,2,1,0.57,1,709,458.319,5.195,5,0.363,0.83,1.0,0.9403656363511754,0.8539167980261805,0.819837571105476,0.8155284079226921,0.857412103351381
EOS-2-12156,Brc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)nc4)n23)cc1,VSVZEBNGFPFJFD-UHFFFAOYSA-N,2,1,0.662,1,709,458.319,5.195,5,0.363,0.82,1.0,0.9648242067027619,0.8631005414296484,0.8044770749091906,0.8045884449318073,0.859247566993352
EOS-2-12157,Brc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cc4)n23)cc1,UKWGJRRPINZBIM-UHFFFAOYSA-N,2,1,0.714,1,326,458.319,5.195,5,0.363,0.86,1.0,0.9494123089575766,0.8904804331437187,0.8726183949009664,0.8671783976423822,0.894922383661161
EOS-2-12158,Brc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)cc1,KDTJKRPYJFTZII-UHFFFAOYSA-N,2,1,0.64,12,347,458.319,5.195,5,0.363,0.78,1.0,0.8130782674251251,0.8539253649509972,0.8025152491261737,0.8133438420944418,0.8207156808991845
EOS-2-12159,Fc1cc(F)c(-c2nnc3cncc(-c4ncc(-c5ccc(F)c(F)n5)cc4F)n23)c(F)c1,SNVANONMWTWUJK-UHFFFAOYSA-N,2,1,0.342,45,730,458.325,4.75,5,0.288,0.66,0.914,0.4122318552532383,0.6097680076759646,0.9805445137413474,0.9862329518196148,0.7471943321225413
EOS-2-12160,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5cocn5)c4)n23)s1,LFLUJPFYVJTGGW-UHFFFAOYSA-N,2,1,0.545,11,639,458.33,5.436,5,0.337,0.67,1.0,0.9194023713247893,0.928072099239257,0.7513364402714002,0.8233757110547598,0.8555466554725516
EOS-2-12161,Cn1nc(-c2cccs2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,DOJCJDOQXKLWFS-UHFFFAOYSA-N,2,1,0.512,36,446,458.334,4.534,5,0.385,0.7,0.997,0.48290898499074775,0.7250702487834967,0.24250394078541568,0.43699883489822494,0.47187050236447126
EOS-2-12162,Clc1csc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,FGZAEXPFRGOKNS-UHFFFAOYSA-N,2,1,0.568,47,164,458.334,4.566,5,0.401,0.62,1.0,0.9030566787745871,0.8569066547871976,0.5651600301555754,0.6525854979096704,0.7444272154067577
EOS-2-12163,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1Cl,GFOYBGWDFXOVNY-UHFFFAOYSA-N,2,1,0.536,36,610,458.334,4.534,5,0.385,0.67,1.0,0.495176821328216,0.657571448152971,0.545002056061956,0.6383044342402852,0.584013689945857
EOS-2-12164,Cn1nc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)cc1-c1cnccc1Cl,IEAJHMVOTWHVMM-UHFFFAOYSA-N,2,1,0.438,95,694,458.334,4.534,5,0.385,0.65,1.0,0.3815793982592009,0.3932304160098691,0.5780446850798437,0.6759046672606401,0.5071897916523884
EOS-2-12165,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)s4)n23)c(Cl)c1,LYHJGRILKPXAQE-UHFFFAOYSA-N,2,1,0.488,16,55,458.334,4.534,5,0.385,0.71,1.0,0.5592831197313413,0.5615190871084915,0.6005414296484134,0.652594064834487,0.5934844253306832
EOS-2-12166,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)no2)nc1,FMZCYOUJFUQXJQ-UHFFFAOYSA-N,2,1,0.527,27,69,458.335,3.368,5,0.365,0.76,1.0,0.6873929134397917,0.7344167637584813,0.7790418751285039,0.6555239531217874,0.7140938763621411
EOS-2-12167,Fc1nc(C(F)(F)F)ccc1-c1nnc2cncc(OCc3ccc(-c4cocn4)nn3)n12,BZOMRGCQAFRBAY-UHFFFAOYSA-N,2,1,0.467,27,52,458.335,3.368,5,0.289,0.57,1.0,0.7301590021245974,0.7525101089712837,0.839387293537112,0.6934754300596258,0.7538829586731546
EOS-2-12168,Fc1cc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)ccc1-c1nn[nH]n1,JVNWBXAPXXWXDR-UHFFFAOYSA-N,2,1,0.495,27,6,458.339,2.498,5,0.395,0.66,1.0,0.7239736824069632,0.7911383729696388,0.7155523953121787,0.5623072441916249,0.6982429237201014
EOS-2-12169,Cn1nnnc1-c1ncc(-c2cncc3nnc(-c4ccc(F)cc4OC(F)(F)F)n23)cn1,KBZYXADULLNDBT-UHFFFAOYSA-N,2,1,0.352,50,542,458.339,2.476,5,0.374,0.73,1.0,0.3539082311013639,0.5474950311836063,0.6704989377013227,0.6383130011651018,0.5525538002878487
EOS-2-12170,FC(F)(Cl)Oc1ccc(Cl)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,NFVAXKBPKRFJHN-UHFFFAOYSA-N,2,1,0.446,45,444,441.652,5.933,4,0.368,0.8,0.999,0.8209769721060928,0.9296055787814406,0.9985179220067165,0.9997515591803167,0.9372130080186416
EOS-2-12171,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(Cl)c(F)c3Cl)n12,ZMMWHVTUZJOGCF-UHFFFAOYSA-N,2,1,0.608,23,627,441.652,5.609,4,0.386,0.73,1.0,0.9724145020903296,0.9860359125488315,0.9940117195531492,0.9989377013227332,0.9878499588787608
EOS-2-12172,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)cc4)n23)c(F)c1F,GNCZMHHFXACVGM-UHFFFAOYSA-N,2,1,0.5,13,145,458.35,5.26,5,0.266,0.63,1.0,0.9030652456994037,0.8978308546364198,0.9911075320402988,0.9865327941881982,0.9446341066410802
EOS-2-12173,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)c(F)c4)n23)cc1F,PBBDRIBREIQDFX-UHFFFAOYSA-N,2,1,0.61,13,573,458.35,5.26,5,0.336,0.73,1.0,0.939448975395792,0.885083270509218,0.9911160989651154,0.9896511548214653,0.9513248749228976
EOS-2-12174,Fc1cc(-c2cnn(C(F)F)c2)ccc1-c1nnc2cncc(C(F)(F)c3cnccn3)n12,BKISOBAMXSFGFE-UHFFFAOYSA-N,2,1,0.329,27,362,458.354,4.119,5,0.369,0.63,0.999,0.21328216023576177,0.4437752724282092,0.985324857789048,0.9600695634295113,0.6506129634706326
EOS-2-12175,Cn1nc(-c2nnnn2C)cc1Oc1cncc2nnc(-c3ccc(OC(F)F)cc3F)n12,WJNYFACNKAODJA-UHFFFAOYSA-N,2,1,0.534,36,292,458.364,2.248,5,0.377,0.59,0.999,0.562024535672675,0.734425330683298,0.3561356315536975,0.36096737715029814,0.5033882187649921
EOS-2-12176,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)ccc1-c1nnco1,JFWPULPWUHMALA-UHFFFAOYSA-N,2,1,0.467,71,117,458.373,2.399,6,0.359,0.55,1.0,0.6505722705777535,0.5755859776574601,0.1864248509355082,0.1889006922075252,0.40037094784456173
EOS-2-12177,Fc1cc(-c2nnc3cncc(OCc4nccc(-c5nnco5)n4)n23)ccc1-c1ncon1,VEYJTZHGHAYTNO-UHFFFAOYSA-N,2,1,0.43,80,428,458.373,2.399,6,0.359,0.63,1.0,0.7420498937701323,0.6379960249468851,0.13930676444383525,0.14361592762661915,0.415742152696868
EOS-2-12178,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)nc1-c1nnco1,JVLYKMXTBUEZOP-UHFFFAOYSA-N,2,1,0.376,51,502,458.377,1.529,6,0.382,0.47,0.926,0.5706942635871428,0.5018076211363169,0.04849736138715647,0.05644746761702419,0.2943616784319101
EOS-2-12179,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6F)nn5)n34)cn2)n1,ISKZPLPKPXLJIU-UHFFFAOYSA-N,2,1,0.289,10,872,458.392,3.071,6,0.392,0.7,1.0,0.15243129326297034,0.21916763758481256,0.307869577136591,0.3641885408813652,0.26091426221643477
EOS-2-12180,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)c(F)c6)n5)n34)cc2)o1,SGAIOTXRXVIPTO-UHFFFAOYSA-N,2,1,0.314,3,973,458.392,3.071,6,0.392,0.67,1.0,0.12180453704338291,0.30640463299294085,0.282699952025221,0.35120108285929685,0.26552755123021043
EOS-2-12181,Cn1cnnc1-c1cc(F)c(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cn1,NGYLIVSUJDTNNA-UHFFFAOYSA-N,2,1,0.291,98,314,458.392,2.977,6,0.392,0.61,0.99,0.2517904872866836,0.2860239188540881,0.38260742923720104,0.4307192790076074,0.33778527859639507
EOS-2-12182,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncc(F)cn6)nn5)n34)cc2F)o1,MZTQARHJIIGYFL-UHFFFAOYSA-N,2,1,0.303,10,618,458.392,3.071,6,0.392,0.71,1.0,0.06762730450277568,0.2142073881159619,0.3044256733602906,0.33834212870947844,0.23115062367212666
EOS-2-12183,FC(F)n1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnccn6)nn5)n34)cn2)cn1,ZLLJYVHZNYFWRK-UHFFFAOYSA-N,2,1,0.324,86,312,458.396,2.483,6,0.382,0.69,0.998,0.0005225824138167364,0.09239428414776232,0.34097217462819546,0.3162994311561922,0.18754711808649166
EOS-2-12184,COc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnn5)n4)n23)cc1[N+](=O)[O-],UCKXHDNSRYXSAL-UHFFFAOYSA-N,2,1,0.424,7,408,458.398,1.929,5,0.257,0.66,1.0,0.4517510794325269,0.12099067918579946,0.09490439311904598,0.02017510794325269,0.17195531492015625
EOS-2-12185,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(F)cc(F)c6)c5)n34)o2)cc1,FZAMXAGMDAMQBZ-UHFFFAOYSA-N,2,1,0.301,3,673,458.403,5.321,6,0.357,0.76,0.983,0.030266945377287368,0.14241655815228565,0.9388150229593585,0.953010417380577,0.5161272359673771
EOS-2-12186,N#Cc1cccnc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(F)c1,BLQPWMPARQHAMM-UHFFFAOYSA-N,2,1,0.458,96,3,458.403,5.132,5,0.363,0.8,1.0,0.7359416763758482,0.9372301418682749,0.9805530806661641,0.977383318483997,0.907777054348571
EOS-2-12187,N#Cc1cccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)c1F,FGARNNUNXNQTML-UHFFFAOYSA-N,2,1,0.506,59,137,458.403,4.721,5,0.379,0.73,1.0,0.9342745528065246,0.9225635665821397,0.9823264341032143,0.9801504351997807,0.9548287471729148
EOS-2-12188,N#Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)cc4)n23)ccc1F,RPZWHSHMULQZFT-UHFFFAOYSA-N,2,1,0.566,57,951,458.403,4.721,5,0.354,0.7,1.0,0.9865841957370982,0.9698615584949627,0.9756442327462134,0.9677540949900624,0.9749610204920841
EOS-2-12189,N#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c(F)c1,ARZTVYJOHYFTIX-UHFFFAOYSA-N,2,1,0.549,57,80,458.403,4.721,5,0.379,0.66,1.0,0.9384723459666918,0.9586560208347612,0.9706582825029128,0.9703070385854293,0.9595234219724489
EOS-2-12190,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)c(F)c5)n34)cn2)cc1F,DYSKIRHXJAWWII-UHFFFAOYSA-N,2,1,0.309,45,673,458.407,4.451,6,0.422,0.66,1.0,0.06229867726680831,0.3405695291618121,0.9267356589678569,0.9347028990473579,0.5660766911109588
EOS-2-12191,Cc1nnsc1-c1nc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)no1,LWABHBLKYXUOIC-UHFFFAOYSA-N,2,1,0.605,36,996,458.41,3.182,5,0.359,0.54,1.0,0.45629154958536083,0.6097765746007813,0.16702933315057228,0.19161640737440888,0.3561784661777808
EOS-2-12192,O=[N+]([O-])c1ccc(CCOc2cncc3nnc(-c4cc(-c5ncccc5F)ncn4)n23)cc1,VPKPLYXHNKKTQA-UHFFFAOYSA-N,2,1,0.526,44,481,458.413,3.312,5,0.266,0.84,0.947,0.7567764375299842,0.20929854019601124,0.33398156397779455,0.18890925913234186,0.37224145020903293
EOS-2-12193,Cn1nc(-c2nnc3cncc(OCCc4cnc5c(F)nccc5c4)n23)cc1-c1nnco1,NFLKBWOERGVJCB-UHFFFAOYSA-N,2,1,0.383,53,569,458.417,2.279,6,0.342,0.54,0.859,0.37476869302995,0.19520594887259268,0.09732883284216298,0.10969947227743129,0.19425073675553423
EOS-2-12194,CCn1nnc(-c2ccc(-c3nnc4cncc(OCc5nnc6ncccn56)n34)c(F)c2)n1,JNZXDTWJFUHAAC-UHFFFAOYSA-N,2,1,0.394,36,404,458.421,1.62,6,0.362,0.6,1.0,0.439885888561442,0.4701956685628127,0.013767048180385169,0.023421972448769788,0.2368176444383524
EOS-2-12195,O=C(Oc1ccc(-c2nnc3cncc(OCc4ccccc4F)n23)cc1)c1ccc(F)cc1,QGCZSHJYRRLVRI-UHFFFAOYSA-N,2,1,0.675,79,397,458.424,4.868,5,0.267,0.86,1.0,0.9727743129326297,0.8772274004523336,0.9293314371873073,0.8969655952299362,0.9190746864505517
EOS-2-12196,Fc1cncc(COc2cncc3nnc(-c4cc(-c5ccc(F)c6c5OCC6)ccn4)n23)c1,BYTAFVCQKFNEQB-UHFFFAOYSA-N,2,1,0.394,97,160,458.428,4.04,6,0.393,0.62,1.0,0.7269978068672469,0.5334195737098211,0.7415701459803988,0.7369868412034816,0.684743591940237
EOS-2-12197,Fc1ccsc1COc1cncc2nnc(-c3cc(-c4cnn(CC(F)F)c4)ncn3)n12,MZDJKNNFGPIXGR-UHFFFAOYSA-N,2,1,0.384,92,395,458.429,3.49,5,0.368,0.73,0.988,0.38632547460763483,0.37926632855870057,0.5750890960180933,0.5361010211774382,0.4691954800904667
EOS-2-12198,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(C6CC6)n5)n34)cnn2)cc1,XUBSABRIFSFTSB-UHFFFAOYSA-N,2,1,0.436,34,446,458.432,3.773,6,0.379,0.5,1.0,0.6216160646974163,0.7066684942772942,0.24966588993214994,0.4213984648070728,0.4998372284284833
EOS-2-12199,CCn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C#N)cc5F)n34)ccc2F)cn1,UBLZDIBIDHDZND-UHFFFAOYSA-N,2,1,0.438,4,10,458.432,3.799,5,0.381,0.69,1.0,0.5028099513398671,0.5955040778562127,0.7181567404564457,0.6876156534850251,0.6260216057843877
EOS-2-12200,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C#N)c5F)n34)cn2)[nH]1,LDJTWYPPXPKYHM-UHFFFAOYSA-N,2,1,0.473,16,109,458.432,3.922,5,0.424,0.66,1.0,0.7210095264203962,0.6721866218902063,0.7812607086560208,0.6876242204098417,0.7155202693441163
EOS-2-12201,Fc1ccccc1-c1ncoc1-c1nnc2cncc(Oc3nc(-c4ccncn4)cs3)n12,CXSKRKWKLRSBLH-UHFFFAOYSA-N,2,1,0.375,28,414,458.438,4.291,6,0.373,0.59,1.0,0.6691967651291892,0.5426204509629223,0.267613597423069,0.2911983414433555,0.44265728873963406
EOS-2-12202,COc1cc(-c2nnc3cncc(OCCc4ccnc([N+](=O)[O-])c4)n23)ccc1-c1cn[nH]c1,COBQCHPTYZWJHC-UHFFFAOYSA-N,2,1,0.49,15,729,458.438,3.115,5,0.274,0.63,1.0,0.6019806730176136,0.2551230210403673,0.2827085189500377,0.10110684668631348,0.310229764923583
EOS-2-12203,CN(C)Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)cc1,DKYHKSWGTBUEQZ-UHFFFAOYSA-N,2,1,0.544,1,230,441.56,5.16,5,0.349,0.88,1.0,0.5760057569734768,0.3553389075457474,0.7579072716057844,0.6264563772188335,0.5789270783359606
EOS-2-12204,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)nn5)n34)c(F)c2)n1,QOQGEWRWOQBSSF-UHFFFAOYSA-N,2,1,0.346,98,63,458.442,3.264,6,0.387,0.67,1.0,0.25662223288328423,0.3261428277705435,0.14814783085463643,0.1889178260571585,0.22995767939140566
EOS-2-12205,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(C#N)ccn6)cn5)n34)cn2)o1,AEPKTZVYTUIMAV-UHFFFAOYSA-N,2,1,0.306,70,392,458.445,3.54,6,0.384,0.71,1.0,0.20510931396066068,0.2191762045096292,0.3191093824960592,0.3131982043725584,0.2641482763347269
EOS-2-12206,COc1cc(C#N)ccc1-c1nnc2cncc(-c3cccc(-c4nnc5cnccc5n4)n3)n12,KXYAETPODXVVAS-UHFFFAOYSA-N,2,1,0.327,76,387,458.445,3.134,6,0.387,0.58,0.982,0.27796244260160374,0.2093071071208279,0.3300579124117607,0.33197690357069426,0.2873260914262217
EOS-2-12207,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5conn5)cc4)n23)c(-c2cc(C#N)ccn2)n1,SZMRMVQROMHWFD-UHFFFAOYSA-N,2,1,0.286,38,339,458.445,3.54,6,0.384,0.64,0.994,0.16323418545678844,0.14598896580083615,0.37508566924816666,0.3864711123295182,0.26769498320882734
EOS-2-12208,Cn1nc(-c2ncc(C#N)nn2)cc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,CULHODOCYUKUPB-UHFFFAOYSA-N,2,1,0.317,98,608,458.449,2.372,6,0.385,0.61,1.0,0.0798351723665273,0.10184360222054692,0.11026488931533136,0.130003084092934,0.1054866869988349
EOS-2-12209,Fc1cc(-c2ccsc2)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3F)n12,IHKIYMXIQVGZQH-UHFFFAOYSA-N,2,1,0.346,3,923,458.453,5.515,6,0.346,0.69,1.0,0.3631005414296484,0.4744705640463299,0.8854602152011514,0.8995956411486533,0.6556567404564457
EOS-2-12210,Fc1ccc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(F)c1,AQBHVEQYSKZTCD-UHFFFAOYSA-N,2,1,0.378,69,484,458.453,5.515,6,0.346,0.75,1.0,0.370099719004866,0.5289562058803372,0.8236584195737098,0.8504985950243301,0.6433032348708108
EOS-2-12211,Fc1ccc(-c2nc(F)ccc2-c2nnc3cncc(-c4ccc(-c5ccon5)s4)n23)cc1,HAGPTLFCCASZMW-UHFFFAOYSA-N,2,1,0.368,32,126,458.453,5.515,6,0.324,0.65,0.999,0.2675193612500857,0.4483500102803098,0.7489291343979165,0.8045970118566239,0.567348879446234
EOS-2-12212,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cccs4)cc3F)n12,BBHZXSLPTFJMSA-UHFFFAOYSA-N,2,1,0.355,3,923,458.453,5.515,6,0.346,0.64,1.0,0.37477725995476663,0.5062881228154342,0.8656791857994655,0.8817250359810842,0.6571174011376877
EOS-2-12213,Fc1cc(F)cc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)c1,XNUVSBVCTBSLFG-UHFFFAOYSA-N,2,1,0.33,32,368,458.453,5.515,6,0.346,0.6,1.0,0.2213950380371462,0.3115362209581249,0.7003118360633267,0.7654033308203687,0.4996616064697416
EOS-2-12214,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cscc5-c5ccsc5)n34)cc2)nn1,ZVTJGJLSJPVBPJ-UHFFFAOYSA-N,2,1,0.337,42,725,441.545,5.044,6,0.383,0.63,1.0,0.06230724419162498,0.07588582002604345,0.4622626961825783,0.48971112329518196,0.2725417209238572
EOS-2-12215,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)nc2)cn1,IGHPFRSDGMXRAC-UHFFFAOYSA-N,2,1,0.266,70,392,441.545,5.044,6,0.383,0.63,1.0,0.034079226920704545,0.04941402234253992,0.43355493112192445,0.4307278459324241,0.23694400657939826
EOS-2-12216,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)n(C)c5=O)n34)ccn2)n1,QRYPCKOKTZLTNC-UHFFFAOYSA-N,2,1,0.5,75,530,458.457,2.411,5,0.357,0.59,1.0,0.407828455897471,0.245125419779316,0.2210180933452128,0.20288191350832704,0.2692134706325817
EOS-2-12217,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)nn2)c1F,FVHDJCXPFLXCJI-UHFFFAOYSA-N,2,1,0.304,76,37,458.457,4.441,6,0.388,0.74,0.934,0.013390103488451785,0.08282502912754437,0.565168597080392,0.6583167706120211,0.3299251250771023
EOS-2-12218,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)n2)cc1F,YRBFUWXUZHLSQX-UHFFFAOYSA-N,2,1,0.307,76,871,458.457,4.441,6,0.388,0.72,0.692,0.00957782194503461,0.0957011171269961,0.5313892125282709,0.6208964430128161,0.31439114865327944
EOS-2-12219,Cc1cc(=O)n(C)nc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cn1,FLZCTCLEAJBZEZ-UHFFFAOYSA-N,2,1,0.495,58,981,458.457,2.411,5,0.357,0.67,0.999,0.4584075800150778,0.4304708381879241,0.20708827359331095,0.17780652456994037,0.3184433040915633
EOS-2-12220,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccn2)cn1,BINVVTMYVVGBCW-UHFFFAOYSA-N,2,1,0.489,65,454,458.457,2.945,5,0.346,0.65,1.0,0.5438883558357892,0.4657237338085121,0.35989651154821467,0.29429100130217256,0.4159499006236721
EOS-2-12221,CCOc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)cn1,RAQCVGKFIIFSDV-UHFFFAOYSA-N,2,1,0.469,58,579,458.457,3.198,5,0.323,0.65,0.998,0.5963864711123296,0.7159721746281955,0.2637927489548352,0.19162497429922554,0.44194409224864645
EOS-2-12222,COc1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cncc(C)n1,ZGHJMPWHEKOLHL-UHFFFAOYSA-N,2,1,0.417,49,501,458.457,3.116,5,0.363,0.57,0.999,0.69942944280721,0.5152234253992187,0.26380131587965183,0.1859965046946748,0.41611267219518877
EOS-2-12223,CCOc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1ncccn1,FPYYOGJANBYLFZ-UHFFFAOYSA-N,2,1,0.42,49,896,458.457,3.198,5,0.323,0.57,1.0,0.672297991912823,0.5521297375094236,0.14815639777945308,0.11222671509834829,0.371202710575012
EOS-2-12224,Fc1cccc(F)c1-n1cc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)nn1,BNNYDNYUHRYQNC-UHFFFAOYSA-N,2,1,0.317,3,783,458.457,4.441,6,0.388,0.74,1.0,0.026925844698786925,0.2044153930505106,0.6036169556575971,0.6759132341854568,0.37771785689808784
EOS-2-12225,COCc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)cn1,PUCKCDDXSNZVMT-UHFFFAOYSA-N,2,1,0.36,51,840,458.457,3.211,5,0.363,0.7,1.0,0.46307655404016174,0.3932389829346858,0.4080254951682544,0.28822561853197176,0.38814166266876843
EOS-2-12226,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ccn2)cn1,ANIFVQLDIPNOGU-UHFFFAOYSA-N,2,1,0.474,75,454,458.457,2.945,5,0.346,0.66,1.0,0.5760143238982934,0.49226406689054897,0.27104036734973613,0.22605544513741346,0.391343550818998
EOS-2-12227,CCOc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cc2F)cn1,GRMPJNKWBXXJBN-UHFFFAOYSA-N,2,1,0.506,65,795,458.457,3.198,5,0.346,0.65,1.0,0.7997395654855733,0.7608714275923515,0.26762216434788566,0.20869028853402782,0.5092308614899597
EOS-2-12228,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nn2)c1F,NBYKSWCHGMIUAM-UHFFFAOYSA-N,2,1,0.302,3,783,458.457,4.441,6,0.388,0.78,1.0,0.0427403879103557,0.21421595504077856,0.659738880131588,0.7154838599136454,0.4080447707490919
EOS-2-12229,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(F)cc5)c4)n23)cn1,MGOAHAAKFIUTKI-UHFFFAOYSA-N,2,1,0.467,4,677,458.457,2.792,5,0.385,0.8,0.999,0.24337776711671577,0.2860324857789048,0.23894866698649853,0.15638921252827084,0.2311870331025975
EOS-2-12230,COc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncc(F)c(C)n1,YCSLFELGUPKALC-UHFFFAOYSA-N,2,1,0.438,49,896,458.457,3.116,5,0.363,0.67,1.0,0.7742186964567199,0.5244071688026866,0.1735915975601398,0.11223528202316496,0.3961131862106778
EOS-2-12231,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3)n12,BNUOREKNVFSSTN-UHFFFAOYSA-N,2,1,0.465,65,456,458.457,3.116,5,0.363,0.57,1.0,0.7023164964704269,0.5659653210883421,0.26763073127270237,0.1807278459324241,0.42916009869097393
EOS-2-12232,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)cn1,GQXYMCJMXXCTME-UHFFFAOYSA-N,2,1,0.432,51,441,458.457,3.211,5,0.363,0.67,1.0,0.515240559248852,0.4831402919607978,0.414973271194572,0.29120690836817215,0.4261402576930985
EOS-2-12233,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)cc1F,YOTGQZGAOOCICX-UHFFFAOYSA-N,2,1,0.313,3,783,458.457,4.441,6,0.388,0.7,1.0,0.05337194160784045,0.2913354122404222,0.6455606195600028,0.6903827702008087,0.4201626859022686
EOS-2-12234,Cc1ncc(-c2nnc3cncc(OCc4cnccc4CCO)n23)c(-c2cc(F)ccn2)n1,CUTALRZCLYCLTD-UHFFFAOYSA-N,2,1,0.404,55,85,458.457,2.6,5,0.392,0.65,0.992,0.5028185182646837,0.40309094647385374,0.3263227331916935,0.28535569871838806,0.3793969741621548
EOS-2-12235,Fc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)s5)n34)nn2)c1,MHIMVLZDOWUFBD-UHFFFAOYSA-N,2,1,0.274,10,37,458.457,4.441,6,0.388,0.69,0.997,0.007727366184634364,0.04589301624288945,0.6455691864848194,0.7285484202590639,0.35693449729285176
EOS-2-12236,Cc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnc(CO)cn5)c4)n23)n1,OTDNZUBMAULEIZ-UHFFFAOYSA-N,2,1,0.478,20,426,458.457,2.6,5,0.392,0.57,1.0,0.8183126584881091,0.7066770612021109,0.3263313001165102,0.2824515112055377,0.533443132753067
EOS-2-12237,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(=O)n(C)n5)c(F)n4)n23)n1,ITKRRUWUZILCLY-UHFFFAOYSA-N,2,1,0.402,58,237,458.457,2.411,5,0.357,0.63,0.829,0.3863340415324515,0.2704663833870194,0.1639623740662052,0.1323161537934343,0.2382697381947776
EOS-2-12238,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5F)n34)n2)c1,SIFOECHGTLTFDQ-UHFFFAOYSA-N,2,1,0.318,3,118,458.457,4.441,6,0.388,0.63,0.992,0.02693441162360359,0.24003666643821533,0.5718422315125763,0.6555325200466041,0.37358645740524987
EOS-2-12239,CN(C)C(=O)c1ccc(-c2nnc3cncc(Oc4cc(-c5ccc(F)cn5)nn4C)n23)cc1,ZFKUJRQFSLKEDI-UHFFFAOYSA-N,2,1,0.516,89,310,458.457,3.22,5,0.398,0.65,1.0,0.47555856349804676,0.38871564663148517,0.2460078130354328,0.13001165101775067,0.3100734185456789
EOS-2-12240,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)cc1F,HYUYCYCLXVVQEM-UHFFFAOYSA-N,2,1,0.31,3,289,458.457,4.441,6,0.388,0.77,0.999,0.05181276129120691,0.26514632307586866,0.630080186416284,0.6819272154067576,0.4072416215475293
EOS-2-12241,N#Cc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)cn2)c1,TXWWNSUTRUPHBF-UHFFFAOYSA-N,2,1,0.355,93,774,458.46,4.717,6,0.379,0.76,1.0,0.014058323624151874,0.29134397916523885,0.8671869645671989,0.884569255020218,0.514289630594202
EOS-2-12242,N#Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)cn1,QMCSRRFWYAXNCW-UHFFFAOYSA-N,2,1,0.352,93,774,458.46,4.717,6,0.379,0.69,1.0,0.013398670413268454,0.31668494277294224,0.8108080323487081,0.8433023781783291,0.49604850592831196
EOS-2-12243,N#Cc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)c1,DEOXMCPETVJLGR-UHFFFAOYSA-N,2,1,0.306,30,668,458.46,4.717,6,0.379,0.74,1.0,0.018393187581385785,0.24004523336303202,0.852357617709547,0.8687975464327325,0.4948983962716743
EOS-2-12244,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cn5)n34)cn2)c1,MAOHZZVBYQTDNH-UHFFFAOYSA-N,2,1,0.299,30,668,458.46,4.717,6,0.379,0.84,0.999,0.018401754506202454,0.20442395997532725,0.8685234048385991,0.8861198684120348,0.4943672469330409
EOS-2-12245,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1cncn1CCC#N,UOTATXKIHJBGJQ-UHFFFAOYSA-N,2,1,0.383,31,569,458.461,2.458,5,0.347,0.46,0.996,0.3154941402234254,0.12823829758070043,0.1701391268590227,0.18600507161949148,0.19996915907065999
EOS-2-12246,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnco6)no5)n34)cc2)cs1,MCAMAAZMZYDSIS-UHFFFAOYSA-N,2,1,0.547,81,49,458.463,3.84,6,0.363,0.65,1.0,0.4630851209649784,0.36011925159344804,0.14816496470426976,0.12147042697553287,0.27320994105955726
EOS-2-12247,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccsc6)o5)n34)cc2)n1,HCKQJJUXONIZMX-UHFFFAOYSA-N,2,1,0.446,40,415,458.463,3.84,6,0.363,0.71,1.0,0.4755671304228634,0.4259389349599068,0.08807655404016175,0.07289596326502638,0.2656196456719896
EOS-2-12248,Cc1nsc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)on2)n1,KJQHLLOVBVOEND-UHFFFAOYSA-N,2,1,0.5,40,2,458.463,3.84,6,0.363,0.6,1.0,0.5152491261736687,0.42594750188472347,0.10235761770954697,0.09698615584949627,0.2851351004043588
EOS-2-12249,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccs6)no5)n34)cc2)n1,OMVHNVOFJFTLPR-UHFFFAOYSA-N,2,1,0.462,40,8,458.463,3.84,6,0.363,0.71,1.0,0.47814577479268044,0.4744791309711466,0.06178466177780824,0.05233534370502364,0.2666862278116647
EOS-2-12250,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)s5)n34)cc2)nn1,RIMRBEWOBBDTNV-UHFFFAOYSA-N,2,1,0.478,71,49,458.467,2.672,6,0.366,0.59,1.0,0.35391679802618053,0.2244791309711466,0.05034781714755671,0.04567884312247276,0.16860564731683916
EOS-2-12251,Cn1cc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)s2)nn1,GLYIEAPCTZKDAU-UHFFFAOYSA-N,2,1,0.478,71,49,458.467,2.672,6,0.366,0.57,1.0,0.3539253649509972,0.22959358508669728,0.054168665615790555,0.04568741004728943,0.17084375642519362
EOS-2-12252,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5cncs5)n4)n23)cc1,YRQJJTGQNKDBNO-UHFFFAOYSA-N,2,1,0.432,56,428,458.467,2.672,6,0.366,0.6,1.0,0.41224042217805495,0.3064131999177575,0.036486532794188196,0.03384791995065451,0.19724701871016379
EOS-2-12253,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccs6)o5)n34)cc2)n1,FSJLOBCTWLKZLC-UHFFFAOYSA-N,2,1,0.478,71,415,458.467,2.672,6,0.366,0.68,1.0,0.4122489891028716,0.37456308683434997,0.027902474127887055,0.02420156260708656,0.2097290281680488
EOS-2-12254,FC(F)Oc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cc1,KBHACOHSMGNZGS-UHFFFAOYSA-N,2,1,0.833,79,650,458.468,5.681,5,0.299,0.82,1.0,0.9875779590158317,0.9794993489137139,0.9571311082173943,0.9438523747515591,0.9670151977246249
EOS-2-12255,OCc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cc(F)ccc5F)cc4)n23)cc1,PKNCYWRMLBXIPZ-UHFFFAOYSA-N,2,1,0.675,79,497,458.468,4.85,5,0.378,0.78,1.0,0.9803389075457474,0.9736738400383799,0.9636933726269619,0.9537557398396271,0.967865465012679
EOS-2-12256,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,HISXDGBYFSCFHX-UHFFFAOYSA-N,2,1,0.738,79,497,458.468,5.367,5,0.328,0.74,1.0,0.9867641011582482,0.9883489822493318,0.9559917072167775,0.9320814200534576,0.9657965526694537
EOS-2-12257,Cn1nc(-c2nccs2)nc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)nn3)n12,SYAYQSCAMZAWCF-UHFFFAOYSA-N,2,1,0.354,53,826,458.471,1.802,6,0.391,0.6,0.002,0.24093619354396545,0.2651548900006854,0.004754643273250634,0.0028013844150503735,0.12841177780823795
EOS-2-12258,Cn1nc(-c2nccs2)nc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,DFODIWUHZNZYSN-UHFFFAOYSA-N,2,1,0.419,56,415,458.471,1.802,6,0.391,0.64,1.0,0.3516208621753136,0.3792748954835172,0.008661160989651156,0.006639366732917552,0.1865490713453499
EOS-2-12259,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(Oc6ncccn6)cc5)n34)cc2)cc1,TXINKOUXFDDAFH-UHFFFAOYSA-N,2,1,0.323,21,958,458.481,5.413,6,0.369,0.72,1.0,0.297375094236173,0.259954766636968,0.7812692755808375,0.7260040435885134,0.516150795010623
EOS-2-12260,CCOc1cncc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(OC)c4)n23)n1,OMXIYSLYFKMGSR-UHFFFAOYSA-N,2,1,0.439,7,248,458.482,2.968,5,0.346,0.71,1.0,0.3279418819820437,0.11172983345898156,0.18643341786032486,0.07096840518127613,0.17426838462065655
EOS-2-12261,COc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C)n5)c(OC)c4)n23)cn1,OKGACAMTEGHQQJ-UHFFFAOYSA-N,2,1,0.511,15,771,458.482,2.62,5,0.346,0.67,1.0,0.41451065725447195,0.11764101158248236,0.19303851689397575,0.06916078404495922,0.19858774244397231
EOS-2-12262,COc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)c(OC)c4)n23)ncn1,BNEHRLBNCUFOKK-UHFFFAOYSA-N,2,1,0.469,15,771,458.482,2.62,5,0.346,0.65,1.0,0.4122575560276883,0.1085258035775478,0.2533582345281338,0.10111541361113015,0.21881425193612503
EOS-2-12263,Fc1nc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1nnc2ccccn12,SNOQYQNTXANLGU-UHFFFAOYSA-N,2,1,0.438,58,773,458.482,3.718,6,0.351,0.63,1.0,0.7114659721746281,0.6819443492563909,0.23895723391131518,0.3036717839764238,0.4840098348296895
EOS-2-12264,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5F)n34)o2)n1C,BIHXIERWEWFCOI-UHFFFAOYSA-N,2,1,0.329,76,750,458.482,4.418,6,0.386,0.68,0.998,0.179854019601124,0.3356692481666781,0.2070968405181276,0.24383181413199917,0.24161298060448222
EOS-2-12265,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccccn6)ncn5)n34)cc2)nc1,DCXQLUULFNQFFG-UHFFFAOYSA-N,2,1,0.529,28,120,458.485,4.284,6,0.364,0.77,1.0,0.4803646083201974,0.4259560688095401,0.4587845247070112,0.42140703173188954,0.4466280583921596
EOS-2-12266,c1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc(-c2cccnn2)c1,VHZYPJYEEHEMOI-UHFFFAOYSA-N,2,1,0.557,77,323,458.485,4.284,6,0.364,0.73,1.0,0.6932184223151258,0.5659738880131588,0.6068209855390309,0.565502707148242,0.6078790007538893
EOS-2-12267,OCc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)c2)n1,VITQLVYOUVZZBU-UHFFFAOYSA-N,2,1,0.32,69,50,458.485,3.865,6,0.414,0.68,1.0,0.21586080460557877,0.1653416489616887,0.571850798437393,0.5491655815228565,0.3755547083818792
EOS-2-12268,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)cn5)n34)cn2)cc1,UMLGNFOYHGQHDB-UHFFFAOYSA-N,2,1,0.489,28,363,458.485,4.284,6,0.364,0.75,1.0,0.437589952710575,0.3792834624083339,0.4933692001918991,0.4685679528476458,0.44470264203961346
EOS-2-12269,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cc2)cc1,DRSQHDLNSPKKRY-UHFFFAOYSA-N,2,1,0.472,41,285,458.485,4.284,6,0.364,0.68,1.0,0.5129017887739017,0.47020423548762935,0.5484630936878898,0.5293931190459873,0.515240559248852
EOS-2-12270,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cc2)cc1,MMYYURUVOIJJHM-UHFFFAOYSA-N,2,1,0.455,41,285,458.485,4.284,6,0.364,0.73,1.0,0.48789493523404837,0.4657323007333288,0.5383027208553218,0.533034062093071,0.5062410047289425
EOS-2-12271,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccnnn6)cc5)n34)cc2)nc1,HEWFFGBIOJEKGF-UHFFFAOYSA-N,2,1,0.518,77,323,458.485,4.284,6,0.364,0.77,1.0,0.6630457131108217,0.470212802412446,0.6300887533411007,0.5906723322596121,0.5885049002809952
EOS-2-12272,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccnnc6)n5)n34)cc2)cc1,JKNWWBXHYFFTMD-UHFFFAOYSA-N,2,1,0.46,12,285,458.485,4.284,6,0.364,0.68,1.0,0.492778082379549,0.4352340483859914,0.5416609553834556,0.5430487972037558,0.503180470838188
EOS-2-12273,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cn2)cc1,XALIWMPRBPBITQ-UHFFFAOYSA-N,2,1,0.453,28,363,458.485,4.284,6,0.364,0.7,1.0,0.44223322596120895,0.39324754985950244,0.352409019258447,0.3414519224179289,0.38233542937427184
EOS-2-12274,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccccn6)n5)n34)cc2)nc1,ZEJYCDXHBGGDIX-UHFFFAOYSA-N,2,1,0.506,28,120,458.485,4.284,6,0.364,0.73,1.0,0.4829175519155644,0.3932561167843191,0.422632101980673,0.40205434857103695,0.4252150298128984
EOS-2-12275,COc1ccc(-c2ccccc2)cc1-c1cncc2nnc(-c3cnc(-c4cccnn4)cn3)n12,HURAWPIWHNDPAL-UHFFFAOYSA-N,2,1,0.315,30,737,458.485,4.381,6,0.375,0.72,0.951,0.19678226303885957,0.03257144815297101,0.479756356658214,0.4716006442327462,0.2951776780206977
EOS-2-12276,c1cc(-c2ccnnc2)cc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)cn4)n23)c1,QKAADGQGHUOHBP-UHFFFAOYSA-N,2,1,0.554,41,25,458.485,4.284,6,0.364,0.63,1.0,0.3378024124460284,0.27561510520183674,0.6539133712562538,0.6056987183880475,0.46825740182304165
EOS-2-12277,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)c1,UJJBEEPRXMRCOA-UHFFFAOYSA-N,2,1,0.575,41,592,458.485,4.284,6,0.364,0.68,1.0,0.5309437324378041,0.44378383935302584,0.5972602974436296,0.5392022479610719,0.5277975292988828
EOS-2-12278,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,JKEKCCWDTHPKDP-UHFFFAOYSA-N,2,1,0.466,28,797,458.485,4.284,6,0.364,0.66,1.0,0.3701082859296827,0.30129874580220684,0.38991501610581863,0.39000068535398535,0.36283068329792334
EOS-2-12279,c1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)c1,UGQUNQPLEQMDKX-UHFFFAOYSA-N,2,1,0.511,81,120,458.485,4.284,6,0.364,0.7,1.0,0.48037317524501405,0.4259646357343568,0.5182218490850524,0.4746162017682133,0.4747939654581591
EOS-2-12280,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,IPAMDWNVGKSYPO-UHFFFAOYSA-N,2,1,0.35,69,38,458.485,4.381,6,0.375,0.69,1.0,0.23547906243574807,0.04942258926735659,0.6840089781372078,0.6178894524021658,0.3967000205606196
EOS-2-12281,Cc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccccc6)cn5)n34)cn2)n1,SQNYMNHWILBWGQ-UHFFFAOYSA-N,2,1,0.363,41,363,458.485,4.806,6,0.363,0.68,1.0,0.507941539305051,0.33567781509149475,0.46949318072784596,0.4214155986567062,0.43363203344527446
EOS-2-12282,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6noc(C7CC7)n6)cc5)n34)cn2)c1,OCVDGAGGBHBPSG-UHFFFAOYSA-N,2,1,0.309,42,57,458.485,4.843,7,0.361,0.74,1.0,0.18274107326434103,0.15755431430333766,0.15135186073607018,0.26784490439311903,0.18987303817421697
EOS-2-12283,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)cc1,BWKYAZVBZIXABG-UHFFFAOYSA-N,2,1,0.476,41,518,458.485,4.284,6,0.364,0.74,1.0,0.5991278870536633,0.5062966897402509,0.47976492358303063,0.4591786032485779,0.5110920259063807
EOS-2-12284,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)nc2)c1,QGOVZVHQCRYDGN-UHFFFAOYSA-N,2,1,0.44,77,177,458.485,4.284,6,0.364,0.82,1.0,0.4730655883763964,0.33081180179562747,0.57509766294291,0.5460300870399561,0.4812512850387225
EOS-2-12285,c1cnnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)c1,XWZRMFJQSZALRW-UHFFFAOYSA-N,2,1,0.553,41,25,458.485,4.284,6,0.364,0.7,1.0,0.42861181550270716,0.4394661092454253,0.5972688643684463,0.5524381468028237,0.5044462339798506
EOS-2-12286,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)cn1,DJMKTAXSXBHZCC-UHFFFAOYSA-N,2,1,0.333,41,170,458.485,4.381,6,0.375,0.75,1.0,0.3103111507093414,0.2191847714344459,0.6455777534096361,0.5491741484476732,0.4310619560002741
EOS-2-12287,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cc1,ICOQSXJYBMYAIG-UHFFFAOYSA-N,2,1,0.5,40,857,458.485,4.284,6,0.364,0.68,1.0,0.6019892399424303,0.4437924062778425,0.42966554725515727,0.39580049345486945,0.4678119217325748
EOS-2-12288,c1ccc(-c2cc(-c3nnc4cncc(OCc5cccnc5-c5ccncc5)n34)ccn2)nc1,QUICECDZSYIFRS-UHFFFAOYSA-N,2,1,0.476,28,942,458.485,4.284,6,0.364,0.71,1.0,0.4214927009800562,0.2805582208210541,0.4759440751147968,0.43400897813720785,0.40300099376327875
EOS-2-12289,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccncc6)ncn5)n34)cc2)nc1,KYEMQUMXMWXSRM-UHFFFAOYSA-N,2,1,0.523,28,120,458.485,4.284,6,0.364,0.73,1.0,0.4307792474813241,0.3792920293331506,0.5416695223082723,0.4866441642108149,0.45959624083339046
EOS-2-12290,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cccnc6)cn5)n34)cn2)cc1,NHLSYIFDOSNBFA-UHFFFAOYSA-N,2,1,0.427,41,518,458.485,4.284,6,0.364,0.76,1.0,0.4854704955109314,0.43047940511274074,0.44463196490987594,0.4370074018230416,0.44939731683914746
EOS-2-12291,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cn5)n34)cc2)nc1,HELKMAKRNNNIHQ-UHFFFAOYSA-N,2,1,0.57,41,592,458.485,4.284,6,0.364,0.72,1.0,0.46791686656157905,0.4077085189500377,0.60054999657323,0.5392108148858885,0.5038465492426838
EOS-2-12292,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccncn6)cn5)n34)nc2)cc1,WIJKORDTWKHSSO-UHFFFAOYSA-N,2,1,0.452,28,363,458.485,4.284,6,0.364,0.74,1.0,0.39281920361866907,0.2913525460900555,0.5146066068124187,0.48058734836543077,0.4198414262216435
EOS-2-12293,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnn6)n5)n34)cc2)cc1,DMHVWGHPNCMJTM-UHFFFAOYSA-N,2,1,0.489,12,285,458.485,4.284,6,0.364,0.76,1.0,0.4493352066342266,0.39326468370913575,0.5038465492426838,0.5059283119731341,0.46309368788979505
EOS-2-12294,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)nn2)cc1,SFNMGULUVIUDBB-UHFFFAOYSA-N,2,1,0.435,12,897,458.485,4.284,6,0.364,0.79,0.998,0.39067747241450207,0.32615139469536014,0.33006647933657735,0.38020012336371733,0.3567738674525392
EOS-2-12295,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)nc1,UPOMTBNKUKLELK-UHFFFAOYSA-N,2,1,0.528,28,120,458.485,4.284,6,0.364,0.71,1.0,0.44436639024055924,0.4124631622232883,0.5212802412446028,0.4716092111575629,0.4624297512165033
EOS-2-12296,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)cc1,AJVYDDXOEOABRJ-UHFFFAOYSA-N,2,1,0.451,28,363,458.485,4.284,6,0.364,0.71,1.0,0.4563001165101775,0.3982592008772531,0.43356349804674116,0.40838530601055445,0.42412703036118155
EOS-2-12297,c1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc(-c2cncnc2)c1,QAQJZPKIXYSABC-UHFFFAOYSA-N,2,1,0.494,77,190,458.485,4.284,6,0.364,0.73,1.0,0.6389041189774518,0.4702213693372627,0.6677232540607224,0.6236378589541498,0.6001216503323967
EOS-2-12298,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)nc1,FBKNJFPXZFOHQP-UHFFFAOYSA-N,2,1,0.536,77,120,458.485,4.284,6,0.364,0.74,1.0,0.6874014803646084,0.43947467617024194,0.5313977794530875,0.47462476869302994,0.5332246761702419
EOS-2-12299,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)cn5)n34)cc2)nc1,SBVFKCPSMZZLOJ-UHFFFAOYSA-N,2,1,0.576,41,120,458.485,4.284,6,0.364,0.76,1.0,0.5178791720923858,0.44380097320265915,0.46227126310739497,0.41482763347268864,0.45969476046878216
EOS-2-12300,c1cnnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)c1,CNZOXQLFKYGSSE-UHFFFAOYSA-N,2,1,0.529,81,609,458.485,4.284,6,0.364,0.71,0.999,0.42371153450757315,0.4259732026591735,0.5212888081694195,0.48665273113563157,0.4644065691179494
EOS-2-12301,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(=O)[nH]c6)cc5)n34)cn2)nn1,IKTVTCQPEZROOW-UHFFFAOYSA-N,2,1,0.292,69,152,458.485,3.974,6,0.425,0.74,1.0,0.19955794667945995,0.18208998697827428,0.5314063463779042,0.5193184154615859,0.35809317387430606
EOS-2-12302,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cn2)cc1,WWAQVCRZULUIOY-UHFFFAOYSA-N,2,1,0.447,28,363,458.485,4.284,6,0.364,0.73,0.999,0.42621307655404017,0.37930059625796725,0.41498183811938866,0.40489000068535397,0.4063463779041875
EOS-2-12303,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cc1,FUTZXQDZDJKWAN-UHFFFAOYSA-N,2,1,0.461,28,797,458.485,4.284,6,0.364,0.67,1.0,0.4679254334863957,0.4030995133986704,0.45544342402851073,0.43401754506202456,0.44012147899390036
EOS-2-12304,c1ccc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)ncn2)cc1,DCNWOOMGHPVBMN-UHFFFAOYSA-N,2,1,0.494,12,285,458.485,4.284,6,0.364,0.74,1.0,0.5386539647728051,0.4394832430950586,0.4622798300322116,0.41792886025632237,0.4645864745390994
EOS-2-12305,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccccn6)ncn5)n34)cn2)cc1,SWDJXKLLTJBAFX-UHFFFAOYSA-N,2,1,0.478,28,363,458.485,4.284,6,0.364,0.71,1.0,0.3906860393393188,0.3793091631827839,0.4226406689054897,0.4083938729353711,0.4002574360907409
EOS-2-12306,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccnnc6)cn5)n34)cc2)cc1,DQZVUYDKWQGUSX-UHFFFAOYSA-N,2,1,0.488,12,285,458.485,4.284,6,0.364,0.7,1.0,0.584744020286478,0.5198238640257693,0.5416780892330889,0.5330426290178878,0.544822150640806
EOS-2-12307,c1cc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)cc(-c2cncnc2)c1,SKNJEASFBXKXNM-UHFFFAOYSA-N,2,1,0.524,41,190,458.485,4.284,6,0.364,0.71,1.0,0.5815656911794942,0.4744876978959633,0.7287111918305805,0.6819357823315743,0.6166750908094031
EOS-2-12308,COc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)cn1,DROIDXFKCOVWKQ-UHFFFAOYSA-N,2,1,0.321,32,945,458.485,4.381,6,0.375,0.75,1.0,0.3655249811527654,0.21919333835926255,0.4622883969570283,0.4048985676101707,0.3629763210198067
EOS-2-12309,COc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)cn1,NCUUXKWPNXEEHR-UHFFFAOYSA-N,2,1,0.325,42,57,458.485,4.381,6,0.375,0.81,1.0,0.33781097937084503,0.21422452196559524,0.5484716606127065,0.45918717017339455,0.38992358303063535
EOS-2-12310,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4ncc(-c5ccccn5)cn4)n23)cc1,WPOLZZOCIAIXIW-UHFFFAOYSA-N,2,1,0.438,28,797,458.485,4.284,6,0.364,0.67,0.862,0.3793691316565006,0.34057809608662876,0.3191179494208759,0.3319854704955109,0.34276266191487903
EOS-2-12311,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)cn2)nc1,KFMIJSIRUWDBPJ-UHFFFAOYSA-N,2,1,0.518,28,297,458.485,4.284,6,0.364,0.72,1.0,0.4656209307107121,0.412471729148105,0.4335720649715578,0.3958090603796861,0.4268684463025152
EOS-2-12312,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5cccnc5)n34)cc2)nc1,YPIMGNYPPVIIHL-UHFFFAOYSA-N,2,1,0.482,41,25,458.485,4.284,6,0.364,0.72,1.0,0.6630542800356384,0.46574086765814543,0.48325166198341446,0.427686587622507,0.5099333493249263
EOS-2-12313,c1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)n2)nc1,KVLFOTRBHIZFMQ-UHFFFAOYSA-N,2,1,0.456,41,59,458.485,4.284,6,0.364,0.71,1.0,0.5935336851483791,0.5018161880611336,0.41868274964018914,0.40840243986018776,0.4806087656774724
EOS-2-12314,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)cn2)nc1,OGIHIRATILSULO-UHFFFAOYSA-N,2,1,0.461,28,297,458.485,4.284,6,0.364,0.68,1.0,0.5564560345418409,0.44835857720512645,0.5875368377767116,0.5430573641285724,0.5338522034130628
EOS-2-12315,c1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc(-c2cccnn2)c1,BSANTSYVSPKXFF-UHFFFAOYSA-N,2,1,0.512,77,323,458.485,4.284,6,0.364,0.73,1.0,0.6813874991433075,0.5018247549859502,0.6156277842505654,0.5655112740730588,0.5910878281132205
EOS-2-12316,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)cc1,CPUPLITUTJTLTR-UHFFFAOYSA-N,2,1,0.5,41,621,458.485,4.284,6,0.364,0.75,1.0,0.6019978068672469,0.5244157357275032,0.5383112877801385,0.5257436090740868,0.5476171098622438
EOS-2-12317,c1ccc(-c2ncccc2COc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)cc1,MRBLWMCDFVJWFX-UHFFFAOYSA-N,2,1,0.483,28,942,458.485,4.284,6,0.364,0.66,1.0,0.5152576930984853,0.3356863820163114,0.462296963881845,0.4340261119868412,0.43681678774587074
EOS-2-12318,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)nn5)n34)cc2)cc1,KXHXAZOVSDRCPU-UHFFFAOYSA-N,2,1,0.5,12,285,458.485,4.284,6,0.364,0.75,1.0,0.4927866493043657,0.4702299362620794,0.3826159961620177,0.4020629154958536,0.43692387430607915
EOS-2-12319,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)s4)n23)c(F)c1,OVUIOJTYIGOQGO-UHFFFAOYSA-N,2,1,0.333,99,259,458.486,3.25,6,0.399,0.61,1.0,0.2022565279967103,0.37931773010760056,0.157494345829621,0.20289048043314373,0.23548977109176888
EOS-2-12320,COc1nc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1nc(C)nn1C(C)C,AMDBUPJNHKFKNJ-UHFFFAOYSA-N,2,1,0.373,31,105,458.486,2.712,5,0.359,0.67,0.996,0.1139829346857652,0.08283359605236104,0.01566890548968542,0.0030755260091837435,0.05389024055924885
EOS-2-12321,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4F)n23)s1,LKOGUVDVSBSADL-UHFFFAOYSA-N,2,1,0.279,99,866,458.486,3.25,6,0.399,0.72,1.0,0.17131279555890616,0.31154478788294154,0.1393153313686519,0.19163354122404222,0.20345161400863546
EOS-2-12322,Cn1cc(C#N)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cn2)n1,CNUKWUXPDFQZPS-UHFFFAOYSA-N,2,1,0.318,38,42,458.489,3.526,6,0.397,0.68,1.0,0.152439860187787,0.13498903433623466,0.3973939414707697,0.3542166403947639,0.2597598690973888
EOS-2-12323,Cc1ncnc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cn1,ACJIFRIZIYAVBL-UHFFFAOYSA-N,2,1,0.271,86,421,458.489,3.779,6,0.388,0.63,0.253,0.09373929134397917,0.02474127887053663,0.23175245014049756,0.19431498869165925,0.13613700226166814
EOS-2-12324,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnc(C)cn6)cn5)n34)cc2)cn1,LJPAUFIXRYYZML-UHFFFAOYSA-N,2,1,0.344,86,443,458.489,3.779,6,0.388,0.66,1.0,0.10865430744979782,0.13139092591323417,0.2638098828044685,0.217479953395929,0.18033376739085735
EOS-2-12325,Cc1ccccc1-n1nccc1Cn1cnc(-c2cncc3nnc(-c4ccc(C#N)cc4)n23)n1,JHXHNEARMMDBOG-UHFFFAOYSA-N,2,1,0.376,62,124,458.489,3.464,6,0.388,0.66,1.0,0.11399150161058187,0.18654478788294154,0.2710489342745528,0.31630799808100885,0.22197330546227126
EOS-2-12326,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)nn6)cn5)n34)cc2)cn1,LYILCLVBQYHANS-UHFFFAOYSA-N,2,1,0.311,38,725,458.489,3.779,6,0.388,0.74,1.0,0.11400006853539853,0.10185216914536357,0.30443424028510724,0.2558255088753341,0.19402799671030085
EOS-2-12327,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)nn6)nc5)n34)cc2)cn1,OPYXYPVJINHGKB-UHFFFAOYSA-N,2,1,0.308,38,725,458.489,3.779,6,0.388,0.61,1.0,0.09374785826879584,0.10853437050236447,0.2638184497292852,0.22932801041738057,0.1738571722294565
EOS-2-12328,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cc2)nnc1C,APSJFEGCWWAIIP-UHFFFAOYSA-N,2,1,0.29,38,424,458.489,3.779,6,0.388,0.55,1.0,0.08415290247412789,0.035527037214721405,0.30787814406140773,0.27055205263518606,0.1745275340963608
EOS-2-12329,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C#N)n5C)cn4)n23)cc1,HZRUDKMEYNSFJL-UHFFFAOYSA-N,2,1,0.329,38,42,458.489,3.526,6,0.397,0.68,1.0,0.20511788088547736,0.14992118429168666,0.38262456308683435,0.32541463916112673,0.2657695668562813
EOS-2-12330,Cn1cc(-c2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)c(-c2sccc2S)n1,GDGPONVZQHZQQI-UHFFFAOYSA-N,2,1,0.31,50,844,458.494,5.286,5,0.372,0.61,0.999,0.1305085326571174,0.3697827427866493,0.8804485641834007,0.8789579192653005,0.564924439723117
EOS-2-12331,c1cnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)s2)nc1,KLOWJLHKIVCMTR-UHFFFAOYSA-N,2,1,0.301,38,608,441.505,3.89,6,0.405,0.58,1.0,0.07984373929134397,0.17379720375573984,0.06179322870262491,0.09905935165512987,0.10362338085120966
EOS-2-12332,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)nc2)nc1,APCRGBGBKTYKOJ-UHFFFAOYSA-N,2,1,0.258,76,272,441.505,3.89,6,0.405,0.55,0.999,0.03680350901240491,0.08935302583784524,0.11892605030498252,0.15122335686382016,0.0990764855047632
EOS-2-12333,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccc5OC)n34)c2)cn1,YVZIKHJCMFQQEI-UHFFFAOYSA-N,2,1,0.557,91,322,458.497,4.444,5,0.342,0.75,1.0,0.4286203824275238,0.4215698033034062,0.6649904050442054,0.529401685970804,0.5111455691864848
EOS-2-12334,CC(C)(O)Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)cc2)cn1,PUSNTPSBHZPJHY-UHFFFAOYSA-N,2,1,0.614,43,322,458.497,4.144,5,0.394,0.75,1.0,0.604961962853814,0.5955126447810294,0.7917723254060722,0.6641936810362552,0.6641101535192927
EOS-2-12335,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2F)n1,ITMBLOXHFSGONQ-UHFFFAOYSA-N,2,1,0.354,21,107,458.5,6.03,6,0.323,0.78,1.0,0.37937769858131726,0.47449626482077994,0.869919813583716,0.8803714618600507,0.651041309711466
EOS-2-12336,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5)cn4)n23)cc1,SQNBSVFRXSCSGD-UHFFFAOYSA-N,2,1,0.372,69,479,458.5,6.03,6,0.323,0.81,1.0,0.36085600712768146,0.5063052566650675,0.8656877527242821,0.8671869645671989,0.6500089952710575
EOS-2-12337,Cc1cccnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)c1,MXKFVQUXVIVLJH-UHFFFAOYSA-N,2,1,0.361,69,987,458.5,6.03,6,0.323,0.77,1.0,0.31801281611952575,0.47023850318689603,0.8804571311082174,0.8861284353368515,0.6387092214378727
EOS-2-12338,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccc(F)c6)nc5)n34)cc2)n1,AEHIWGSKQUSAMU-UHFFFAOYSA-N,2,1,0.37,69,695,458.5,6.03,6,0.323,0.79,1.0,0.25412925776163386,0.4483671441299431,0.8685319717634158,0.8655249811527654,0.6091383387019396
EOS-2-12339,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)c(-c2ccc(F)cc2)n1,REFXJAYRNNYOHE-UHFFFAOYSA-N,2,1,0.333,93,107,458.5,6.03,6,0.323,0.77,1.0,0.3329706668494277,0.45697690357069426,0.8063532314440408,0.8373826331300116,0.6084208587485436
EOS-2-12340,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)cc1F,WOGZWDFSTXRYOM-UHFFFAOYSA-N,2,1,0.316,93,93,458.5,6.03,6,0.323,0.8,1.0,0.2808666301144541,0.41716640394763893,0.8778099513398671,0.8803800287848674,0.6140557535467069
EOS-2-12341,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cc2)cn1,VYMRIEKDDBHAFM-UHFFFAOYSA-N,2,1,0.368,69,958,458.5,6.03,6,0.302,0.82,1.0,0.28365088067987115,0.42157837022822287,0.9165752861352888,0.9043674182715372,0.63154298882873
EOS-2-12342,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6F)nc5)n34)cc2)cn1,LUZRJCILFNLQRC-UHFFFAOYSA-N,2,1,0.354,69,987,458.5,6.03,6,0.323,0.78,1.0,0.30523096429305735,0.4745048317455966,0.8959204304023027,0.8900263861284353,0.641420653142348
EOS-2-12343,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cc2)cc1F,GANHGGDKPDRVMG-UHFFFAOYSA-N,2,1,0.314,69,645,458.5,6.03,6,0.323,0.71,1.0,0.3329792337742444,0.4657494345829621,0.9354139538071414,0.9320899869782743,0.6665581522856555
EOS-2-12344,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccn(C6CCCOC6)n5)n34)cn2)n1C,UNXSJSIVVAXILJ-UHFFFAOYSA-N,2,1,0.262,50,974,441.499,3.11,6,0.422,0.57,1.0,0.08198547049551093,0.0247498457953533,0.011676718525118224,0.022573846891919675,0.03524647042697553
EOS-2-12345,CC(C)(C)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)cn1,XVZRJVFMTHWVMM-UHFFFAOYSA-N,2,1,0.495,65,468,458.501,3.96,5,0.355,0.69,1.0,0.48292611884038106,0.4569854704955109,0.4695017476526626,0.24953738605989995,0.41473768076211365
EOS-2-12346,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)n(C(C)C)n1,FTJWOTDQAXADIP-UHFFFAOYSA-N,2,1,0.506,65,986,441.499,3.351,5,0.378,0.67,1.0,0.340106915221712,0.1653502158865054,0.05600198752655747,0.02796244260160373,0.14735539030909467
EOS-2-12347,CN(C)Cc1ccc(COc2cncc3nnc(-c4cc(-c5cncn5C)ncn4)n23)cc1,UATHJLCMISLKMN-UHFFFAOYSA-N,2,1,0.379,31,395,441.499,2.622,5,0.38,0.71,0.996,0.2836594476046878,0.0385083270509218,0.28271708587485433,0.14124288945240215,0.18653193749571653
EOS-2-12348,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,NUJODCJVVQFZPF-UHFFFAOYSA-N,2,1,0.316,69,645,441.498,5.286,6,0.37,0.79,1.0,0.1140086354602152,0.1282468645055171,0.8085634980467411,0.777388458638887,0.45705186416284005
EOS-2-12349,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)c(-c2ccccn2)n1,OXTGBGNIDRWHPJ-UHFFFAOYSA-N,2,1,0.295,30,93,441.498,5.286,6,0.37,0.65,0.998,0.10866287437461448,0.12099924611061613,0.5109142622164348,0.5330511959427044,0.31840689466109245
EOS-2-12350,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cc2)cn1,VXHDWQCWSUNMBQ-UHFFFAOYSA-N,2,1,0.307,69,645,441.498,5.286,6,0.37,0.73,1.0,0.12471729148104996,0.11764957850729901,0.7985144952367899,0.7725310122678364,0.4533530943732438
EOS-2-12351,Cc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)n1,NUJOZPUCHZOATK-UHFFFAOYSA-N,2,1,0.352,93,651,441.498,5.286,6,0.37,0.81,1.0,0.20226509492152697,0.1386813789322185,0.6394952367898019,0.6354773490507847,0.403979764923583
EOS-2-12352,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)cc2)n1,ZJHIWLSZYURFMM-UHFFFAOYSA-N,2,1,0.341,69,898,441.498,5.286,6,0.37,0.75,1.0,0.14102871633198547,0.11765814543211568,0.6705075046261394,0.6526026317593037,0.395449249537386
EOS-2-12353,Cc1ccccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cn1,AKKTURHCIVYNMB-UHFFFAOYSA-N,2,1,0.319,30,737,441.498,5.286,6,0.37,0.79,1.0,0.12472585840586663,0.08936159276266191,0.5940134329381125,0.6293005962579672,0.35935037009115206
EOS-2-12354,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cc5)n34)cc2)n1,IALPNHAJWGPJQA-UHFFFAOYSA-N,2,1,0.348,69,898,441.498,5.286,6,0.37,0.74,1.0,0.13051709958193408,0.1210078130354328,0.7078421629771777,0.6759218011102734,0.40882221917620454
EOS-2-12355,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cn1,JLMDVJQYFCUPCX-UHFFFAOYSA-N,2,1,0.351,30,93,441.498,5.286,6,0.37,0.84,1.0,0.1247344253306833,0.12101637996024947,0.664998971969022,0.6441385100404359,0.38872207182509766
EOS-2-12356,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)n1,RYBWBLFPVQUUST-UHFFFAOYSA-N,2,1,0.357,93,651,441.498,5.286,6,0.37,0.8,1.0,0.15244842711260365,0.1246830237817833,0.6455863203344527,0.6526111986841203,0.39383224247824
EOS-2-12357,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5ccccc5)n34)nc2)n1,AQLULUMVUSOYIB-UHFFFAOYSA-N,2,1,0.299,30,93,441.498,5.286,6,0.37,0.79,0.719,0.07557741073264342,0.0532777054348571,0.5349016517031047,0.5491827153724899,0.3032348708107737
EOS-2-12358,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)cc2)nn1,DDHFWUCTUMPEMM-UHFFFAOYSA-N,2,1,0.329,69,898,441.498,5.286,6,0.37,0.8,1.0,0.11098451099993147,0.12102494688506614,0.6650075388938387,0.652619765608937,0.38740919059694334
EOS-2-12359,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)cc5)n34)cc2)nn1,YOZBJONAXWSRKL-UHFFFAOYSA-N,2,1,0.31,69,958,441.498,5.286,6,0.37,0.81,1.0,0.11401720238503187,0.12103351380988281,0.712965184017545,0.7042611884038106,0.4130692721540676
EOS-2-12360,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)nn1,MMMDEJXPABHOQR-UHFFFAOYSA-N,2,1,0.362,93,651,441.498,5.286,6,0.37,0.78,1.0,0.1496641765471866,0.13868994585703515,0.6395038037146186,0.6500068535398533,0.3944661949146734
EOS-2-12361,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)cn1,MWYWCOHGHDPJJV-UHFFFAOYSA-N,2,1,0.357,69,220,441.498,5.286,6,0.37,0.78,1.0,0.12181310396819958,0.12104208073469948,0.6570488657391542,0.6383215680899185,0.3845564046329929
EOS-2-12362,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)nn1,YAQONYOJHOXXTB-UHFFFAOYSA-N,2,1,0.352,93,220,441.498,5.286,6,0.37,0.78,1.0,0.1192515934480159,0.12469159070659996,0.6455948872592694,0.6413371256253855,0.38271879925981767
EOS-2-12363,COc1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(S(C)(=O)=O)c5)n34)cc2)n1,VJQDRGZJSVOHHJ-UHFFFAOYSA-N,2,1,0.373,62,697,458.503,3.327,5,0.394,0.81,1.0,0.32795044890686037,0.21920190528407923,0.43728154341717496,0.3675382084846823,0.3379930265231992
EOS-2-12364,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(C)(C)O)cc4)n23)cc1,HIMYLKMCLRLSDU-UHFFFAOYSA-N,2,1,0.562,89,250,441.495,3.393,5,0.431,0.68,1.0,0.644575423206086,0.24996573230073332,0.7415787129052156,0.522513878418203,0.5396584367075594
EOS-2-12365,CCNCc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)o1,BCTIFEWOBSGWRL-UHFFFAOYSA-N,2,1,0.533,58,579,441.495,3.572,5,0.37,0.79,1.0,0.3378195462956617,0.12825543143033377,0.21061784661777808,0.1365225138784182,0.20330383455554793
EOS-2-12366,COc1cc(-c2nnc3cncc(OCc4cncc(C)c4)n23)ccc1-c1cnc(C)n1C,NEYNMMBOIAMFMH-UHFFFAOYSA-N,2,1,0.494,16,591,441.495,3.791,5,0.396,0.69,1.0,0.4237201014323898,0.11766671235693235,0.429674114179974,0.22933657734219726,0.3000993763278733
EOS-2-12367,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4OC)n23)cc1,XKZWVYFIMCVOOZ-UHFFFAOYSA-N,2,1,0.61,91,187,441.495,3.7,5,0.362,0.7,1.0,0.5103745459529847,0.29136111301487216,0.2898362003975053,0.19164210814885888,0.3208034918785552
EOS-2-12368,COc1cc(-c2nnc3cncc(OCCc4ccc(C)nc4)n23)ccc1-c1cnn(C)c1,ZWVVSQGTCOXDNG-UHFFFAOYSA-N,2,1,0.553,15,771,441.495,3.525,5,0.381,0.65,1.0,0.3840466726064012,0.20443252690014393,0.48676410115824825,0.28246007813035434,0.33942584469878695
EOS-2-12369,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5OC)n34)c2)cn1,ZMSJGGYMAHJZQK-UHFFFAOYSA-N,2,1,0.528,15,545,441.495,3.7,5,0.362,0.71,1.0,0.229833458981564,0.0986824069631965,0.3790093208142005,0.23216366253169762,0.23492221232266464
EOS-2-12370,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(-c3ccc(-c4cscn4)cn3)n12,YDGVQYMSNYPHIY-UHFFFAOYSA-N,2,1,0.346,32,572,458.507,4.634,6,0.38,0.68,1.0,0.22424782400109658,0.3839181687341512,0.4657922692070454,0.502604345144267,0.39414065177164004
EOS-2-12371,Fc1cnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)s2)cn1,HPCXOGWWDKGJIG-UHFFFAOYSA-N,2,1,0.365,42,174,458.507,4.634,6,0.38,0.62,1.0,0.20227366184634363,0.3932732506339524,0.36372592694126515,0.41170927283942155,0.34274552806524566
EOS-2-12372,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ccnn1CC#N,KGWWGKLWNYXGCP-UHFFFAOYSA-N,2,1,0.459,4,224,458.507,3.531,5,0.364,0.72,1.0,0.3076211363169077,0.2756236721266534,0.22102666027002946,0.13232472071825097,0.23414904735796038
EOS-2-12373,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)cc1,VBSCAHFIOSAFKI-UHFFFAOYSA-N,2,1,0.325,39,176,458.507,4.634,6,0.38,0.59,0.692,0.1359399629908848,0.22448769789596326,0.29334007264752243,0.42142416558152285,0.2687979747789734
EOS-2-12374,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4nncs4)cc3)n12,YNDDUNIWXQRVCY-UHFFFAOYSA-N,2,1,0.382,9,340,458.507,4.634,6,0.38,0.72,1.0,0.16866561579055583,0.3457525186758961,0.5416866561579056,0.5937478582687958,0.4124631622232883
EOS-2-12375,N#Cc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)s2)n1,QVIHGNYCUPHDBO-UHFFFAOYSA-N,2,1,0.293,30,301,458.51,4.91,6,0.369,0.68,1.0,0.14103728325680215,0.1906483448701254,0.46951031457747927,0.5225224453430196,0.33092959701185665
EOS-2-12376,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)s4)n23)cn1,WIBDPGYGHPIXIP-UHFFFAOYSA-N,2,1,0.518,27,69,441.488,5.493,5,0.348,0.68,1.0,0.684343088205058,0.729627852785964,0.8293468576519772,0.7601775066822014,0.7508738263313002
EOS-2-12377,FC(F)c1ccc(-c2nnc3cncc(OCc4csc(-c5ccsc5)n4)n23)cc1,FXZZOYJQIXWXOA-UHFFFAOYSA-N,2,1,0.554,27,676,441.488,5.493,5,0.348,0.7,1.0,0.6692053320540059,0.686947433349325,0.8108165992735248,0.767767802069769,0.7336842916866562
EOS-2-12378,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccs5)s4)n23)cn1,WQGSFUZYGDXLJI-UHFFFAOYSA-N,2,1,0.529,27,786,441.488,5.493,5,0.348,0.65,1.0,0.7055462271263108,0.7569306421766843,0.7897248303748886,0.7208381879240627,0.7432599719004865
EOS-2-12379,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)nn1C,YEVYYXQNJGKIMT-UHFFFAOYSA-N,2,1,0.286,98,63,441.484,2.506,6,0.41,0.59,1.0,0.02040641491330272,0.04590158316770612,0.04850592831197313,0.061005071619491466,0.04395474950311836
EOS-2-12380,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n(C)n2)s1,XWKRVIRTVCAOMY-UHFFFAOYSA-N,2,1,0.282,98,882,441.484,2.804,6,0.442,0.67,1.0,0.04274895483517237,0.09869097388801316,0.03510725789870468,0.035955383455554796,0.053125642519361256
EOS-2-12381,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(C#N)nc5)n34)c2)s1,DCPGHBTYJVAKQA-UHFFFAOYSA-N,2,1,0.506,87,142,441.48,2.901,5,0.39,0.64,1.0,0.5935422520731958,0.4922726338153656,0.1736001644849565,0.15123192378863684,0.3526617435405387
EOS-2-12382,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)s5)n34)n(C)n2)nn1,JNVGVMVBYFHZNW-UHFFFAOYSA-N,2,1,0.286,76,272,441.48,3.674,6,0.407,0.57,0.985,0.009586388869851277,0.014041189774518539,0.05035638407237338,0.062418614214241656,0.03410064423274622
EOS-2-12383,CCn1c(-c2cncs2)nnc1-c1cncc2nnc(-c3ccc(-c4ncco4)cc3)n12,JQZXQVDUEIHFLC-UHFFFAOYSA-N,2,1,0.3,8,474,441.48,3.848,6,0.396,0.72,1.0,0.13594852991570147,0.12470015763141663,0.03380508532657117,0.05944589130285793,0.0884749160441368
EOS-2-12384,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnnn6C)s5)n34)cc2)o1,AIMDVRXLOZVNBH-UHFFFAOYSA-N,2,1,0.278,98,303,441.48,3.674,6,0.407,0.58,1.0,0.06041395380714139,0.12105064765951613,0.11027345624014803,0.10529607292166404,0.0992585326571174
EOS-2-12385,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)s2)no1,OOLUGMDBIQGULD-UHFFFAOYSA-N,2,1,0.292,38,303,441.476,4.842,6,0.382,0.65,1.0,0.21329072716057842,0.2451339867041327,0.20354156671921048,0.18073641285724076,0.21067567336029058
EOS-2-12386,CCOc1cc(-c2nnc3cncc(Oc4csc(C#N)c4)n23)ccc1-c1cnccn1,UAAHXBMLRFHCBP-UHFFFAOYSA-N,2,1,0.411,15,248,441.476,4.372,5,0.382,0.65,1.0,0.6565005825508875,0.6332242478240011,0.6036255225824139,0.46532965526694536,0.5896700020560619
EOS-2-12387,c1cc(-c2csc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)c2)n[nH]1,OASAETVSFWZJEM-UHFFFAOYSA-N,2,1,0.484,40,25,441.476,4.477,6,0.406,0.63,1.0,0.5464241655815228,0.542629017887739,0.5282794188198204,0.465338222191762,0.5206677061202111
EOS-2-12388,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2O)cn1,XXGSHWUYFSDNEQ-UHFFFAOYSA-N,2,1,0.518,35,4,441.476,3.509,5,0.425,0.64,1.0,0.6932269892399424,0.6721951888150229,0.507504626139401,0.42435405386882324,0.5743202145157974
EOS-2-12389,COc1cc(-c2nnc3cncc(OCc4ccsc4)n23)ccc1-c1cnc(C#N)nc1,OJPMWSIREKRARS-UHFFFAOYSA-N,2,1,0.477,16,248,441.476,3.769,5,0.391,0.64,1.0,0.6505808375025701,0.5334281406346378,0.5907580015077788,0.43403467891165787,0.5522004146391613
EOS-2-12390,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)cc2)n1,CXNXJNKUGHIWAQ-UHFFFAOYSA-N,2,1,0.53,12,47,458.525,5.438,6,0.333,0.74,1.0,0.6445839901309026,0.38392673565896784,0.7626019464053183,0.7260126105133301,0.6292813206771297
EOS-2-12391,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(OCc6ccccc6)c5)n34)cc2)n[nH]1,ZMVZXSQBNPIABM-UHFFFAOYSA-N,2,1,0.4,12,220,458.525,5.736,6,0.344,0.76,1.0,0.3495219655952299,0.2756322390514701,0.8063617983688575,0.7627561510520183,0.548568038516894
EOS-2-12392,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)c5)n34)cc2)cn1,ALLDMISXYWUJFI-UHFFFAOYSA-N,2,1,0.577,12,47,458.525,5.438,6,0.333,0.7,1.0,0.6020063737920636,0.4031080803234871,0.8236669864985265,0.7865893358919882,0.6538426941265164
EOS-2-12393,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)cc1,UCNXZKIZIUETLT-UHFFFAOYSA-N,2,1,0.536,12,47,458.525,5.438,6,0.333,0.72,1.0,0.6843516551298746,0.3405866630114454,0.7917808923308889,0.7601860736070181,0.6442263210198067
EOS-2-12394,Cn1c(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(=O)n1C,QSELGSGEIRMPTR-UHFFFAOYSA-N,2,1,0.368,21,810,458.525,4.83,6,0.379,0.69,1.0,0.1660955383455555,0.1424251250771023,0.43358063189637447,0.5558820505791241,0.32449583647453906
EOS-2-12395,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cn1,BAPZFTKIHHDEMA-UHFFFAOYSA-N,2,1,0.549,12,285,458.525,5.531,6,0.328,0.76,1.0,0.6020149407168802,0.35037009115208007,0.8085720649715578,0.7524415735727503,0.6283496676033171
EOS-2-12396,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)cn1,RBMLYKTWXAUONQ-UHFFFAOYSA-N,2,1,0.584,12,47,458.525,5.438,6,0.333,0.76,1.0,0.602023507641697,0.4215869371530395,0.8236755534233432,0.7890994448632719,0.6590963607703378
EOS-2-12397,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)n1,POQRODKYRLKSQF-UHFFFAOYSA-N,2,1,0.556,12,47,458.525,5.438,6,0.333,0.79,1.0,0.6273816050990336,0.43524261531080805,0.7812778425056541,0.7445685696662326,0.6471176581454321
EOS-2-12398,c1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)s5)n34)cc2)o1,DTWGWXNDKJJFCT-UHFFFAOYSA-N,2,1,0.5,81,117,458.528,5.21,6,0.338,0.65,1.0,0.5028270851895004,0.49737852100609964,0.4695188815022959,0.4243626207936399,0.47352177712288396
EOS-2-12399,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)o5)n34)cc2)o1,DOWQFWDXLWDECU-UHFFFAOYSA-N,2,1,0.53,41,25,441.472,5.347,6,0.344,0.59,1.0,0.5592916866561579,0.547503598108423,0.6787488862997738,0.6057072853128641,0.5978128640943047
EOS-2-12400,c1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)s2)co1,OAXBBQMJQNWJRI-UHFFFAOYSA-N,2,1,0.542,40,592,458.528,5.21,6,0.338,0.6,1.0,0.40783702282228773,0.46575800150777874,0.38623980535946817,0.367546775409499,0.40684540127475843
EOS-2-12401,CN(C)c1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,KNFVXKATIJVBHO-UHFFFAOYSA-N,2,1,0.325,93,834,458.529,4.976,6,0.392,0.72,1.0,0.11402576930984853,0.035535604139538074,0.6597474470564046,0.5193269823864026,0.33215895072304846
EOS-2-12402,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,WZDUMUDMEOQQCK-UHFFFAOYSA-N,2,1,0.342,93,651,458.529,5.107,6,0.357,0.78,1.0,0.1410458501816188,0.10854293742718114,0.23176101706531424,0.3005191556438901,0.19546724007950106
EOS-2-12403,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)n6C)cn5)n34)cc2)n1,HUHKPSSCCWWKOL-UHFFFAOYSA-N,2,1,0.319,38,532,458.529,4.933,6,0.372,0.74,1.0,0.15779418819820437,0.09240285107257899,0.47281714755671306,0.38647967925433485,0.2773734665204578
EOS-2-12404,CCn1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(C)nn6)cc5)n34)c2)n1,RVZTTWOFEYGJMJ-UHFFFAOYSA-N,2,1,0.291,9,598,458.529,5.107,6,0.357,0.76,1.0,0.051821328216023574,0.07940682612569393,0.45879309163182785,0.4148362003975053,0.25121436159276267
EOS-2-12405,CCc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)n1,SEQIFFIOOAXDCX-UHFFFAOYSA-N,2,1,0.535,11,846,441.47,3.966,5,0.377,0.78,1.0,0.6932355561647591,0.7949163868137893,0.35614419847851414,0.37392913439791653,0.5545563189637448
EOS-2-12406,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccc2C)cn1,ZFSRMXLHRVYDIY-UHFFFAOYSA-N,2,1,0.558,35,4,441.47,4.021,5,0.393,0.57,1.0,0.8407837022822288,0.8339044616544445,0.6483877047495031,0.5491912822973065,0.7180667877458707
EOS-2-12407,Cc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)c(C)c1,CHYXJJWSAHXJHN-UHFFFAOYSA-N,2,1,0.558,75,166,441.47,4.021,5,0.393,0.67,1.0,0.872318552532383,0.6672606401206223,0.5003255431430333,0.4179374271811391,0.6144605407442945
EOS-2-12408,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cn2)nc1C,DLZOBHVIMKYVPE-UHFFFAOYSA-N,2,1,0.646,84,73,441.47,4.021,5,0.393,0.72,1.0,0.7567850044548009,0.8229045301898431,0.4112123912000548,0.3675553423343157,0.5896143170447536
EOS-2-12409,c1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cs2)sn1,PWNWJWNIJVRZIL-UHFFFAOYSA-N,2,1,0.478,40,763,458.532,4.34,6,0.396,0.57,1.0,0.4262216434788568,0.44380954012747587,0.20005482831882668,0.20289904735796038,0.31824626482077994
EOS-2-12410,CCOc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)cn1,SKEFUENDJYLXPF-UHFFFAOYSA-N,2,1,0.633,1,326,441.466,4.97,5,0.355,0.76,1.0,0.9403742032759921,0.9110667534781715,0.8456411486532794,0.7773970255637036,0.8686197827427867
EOS-2-12411,Fc1ccc(OCc2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2)cc1,LNRJBLKBIHWNFE-UHFFFAOYSA-N,2,1,0.662,79,397,441.466,4.526,5,0.352,0.81,1.0,0.9586817216092112,0.9475104516482763,0.8456497155780961,0.7981632513193064,0.8875012850387225
EOS-2-12412,Fc1ccnc(CCOc2cncc3nnc(-c4cccc(COc5ccccc5)c4)n23)c1,ISKDGXBOPVTTAZ-UHFFFAOYSA-N,2,1,0.556,79,824,441.466,4.526,5,0.352,0.73,1.0,0.8360718936330614,0.7608799945171681,0.7603231444040847,0.7232797614968131,0.7701386985127818
EOS-2-12413,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)n1,GNHFIBKDTHEAGH-UHFFFAOYSA-N,2,1,0.593,79,23,441.466,4.623,5,0.367,0.78,1.0,0.9476817901446097,0.9342916866561579,0.7464789939003496,0.684831402919608,0.8283209684051813
EOS-2-12414,Cc1ccc(-c2nnc3cncc(OCc4cc(F)ccc4-c4ccn(C)c(=O)c4)n23)cc1,WCFXXWDUMHJLEU-UHFFFAOYSA-N,2,1,0.578,1,230,441.466,4.184,5,0.409,0.73,1.0,0.919410938249606,0.7159807415530122,0.8538396957028305,0.8002878486738401,0.8223798060448221
EOS-2-12415,OCc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)cc1,KVQGGBKJJGEZSW-UHFFFAOYSA-N,2,1,0.614,91,660,441.466,4.106,5,0.409,0.85,1.0,0.8912857240764855,0.87435748063875,0.8553132067712974,0.8233842779795765,0.8610851723665274
EOS-2-12416,COc1cc(F)ccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,PFDVIFXVNPVXEL-UHFFFAOYSA-N,2,1,0.595,91,660,441.466,4.623,5,0.367,0.79,1.0,0.9660492769515455,0.9386865190871085,0.8025238160509903,0.7181224727571791,0.8563455212117059
EOS-2-12417,Cc1cccc(Oc2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ccc2C)c1,WRWYAWPWVCUIFM-UHFFFAOYSA-N,2,1,0.523,1,230,441.466,5.314,5,0.332,0.78,1.0,0.9403827702008087,0.8034319100815571,0.8712905215543828,0.7750239873894866,0.8475322973065589
EOS-2-12418,OCc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(F)cc5)nc4)n23)cc1,WFUMGRXBUMLCOA-UHFFFAOYSA-N,2,1,0.667,91,660,441.466,4.106,5,0.409,0.84,1.0,0.9690734014118292,0.9244311561921733,0.8523661846343636,0.8174473990816257,0.890829535329998
EOS-2-12419,COc1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1ccccc1,PARQVHREKHFJRC-UHFFFAOYSA-N,2,1,0.57,79,198,441.466,4.623,5,0.367,0.77,1.0,0.8130868343499418,0.6529453087519704,0.6761788088547734,0.6354859159756014,0.6944242169830719
EOS-2-12420,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)s5)n34)cc2)s1,RTHWIUOEYVYIOA-UHFFFAOYSA-N,2,1,0.289,98,303,458.536,3.537,6,0.394,0.61,1.0,0.055033925022274006,0.10517613597423069,0.026677403879103556,0.029744362963470633,0.05415795695976972
EOS-2-12421,N#Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,CIFFYHBLBOTMAL-UHFFFAOYSA-N,2,1,0.318,9,834,441.458,4.177,6,0.435,0.78,1.0,0.15780275512302103,0.19521451579740937,0.7579158385306011,0.752450140497567,0.4658458124871496
EOS-2-12422,N#Cc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)c1,HPJXGVWXNWEHCB-UHFFFAOYSA-N,2,1,0.31,42,150,441.458,3.973,6,0.407,0.75,1.0,0.01177095469810157,0.11173840038379823,0.7440802549516825,0.7421783976423822,0.40244200191899115
EOS-2-12423,N#Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cn1,JMEXGLSYKWXOOV-UHFFFAOYSA-N,2,1,0.317,30,301,441.458,3.973,6,0.407,0.63,1.0,0.007110547597834281,0.06862106778150914,0.50033411006785,0.5524467137276403,0.28212810979370845
EOS-2-12424,N#Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,DAEFZEVAIMRDOV-UHFFFAOYSA-N,2,1,0.303,9,834,441.458,4.177,6,0.435,0.65,1.0,0.2132992940853951,0.27047495031183605,0.6787574532245905,0.6819443492563909,0.46111901171955316
EOS-2-12425,N#Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)c[nH]1,UFMXGDMHQVDWCT-UHFFFAOYSA-N,2,1,0.283,30,301,441.458,4.177,6,0.435,0.58,0.803,0.1578113220478377,0.16535878281132205,0.5582208210540744,0.5815485573298609,0.36573487081077377
EOS-2-12426,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)cn2)c1,CMFOEZSZTCKQTD-UHFFFAOYSA-N,2,1,0.308,30,668,441.458,3.973,6,0.407,0.81,0.997,0.022471043794119662,0.05328627235967377,0.6036340895072305,0.65001542046467,0.3323517065314235
EOS-2-12427,N#Cc1cccc(-c2nnc3cncc(-c4ccnc(-n5ccc(-c6ccccn6)n5)c4)n23)c1,DBGBPXJEGVBOKP-UHFFFAOYSA-N,2,1,0.304,30,20,441.458,3.973,6,0.407,0.67,1.0,0.02694297854842026,0.07941539305051058,0.5651771640052087,0.5782674251250771,0.3124507401823041
EOS-2-12428,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)n2)c1,FQDDHOBBSVJDEM-UHFFFAOYSA-N,2,1,0.333,3,158,441.455,3.697,6,0.411,0.58,1.0,0.03830272085532178,0.2142330888904119,0.2971609211157563,0.414844767322322,0.241135374545953
EOS-2-12429,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccn2)cn1,WUTONWSABKFJOG-UHFFFAOYSA-N,2,1,0.465,75,454,441.455,2.201,5,0.354,0.69,1.0,0.43494277294222466,0.18209855390309096,0.07208210540744295,0.04843739291343979,0.18439020629154962
EOS-2-12430,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncs6)nc5)n34)nn2)cc1,VLTOVQJWQVUTFJ-UHFFFAOYSA-N,2,1,0.327,10,705,441.455,3.697,6,0.411,0.68,0.98,0.015771708587485438,0.15756288122815434,0.4009149475704201,0.47161777808237954,0.26146682886710987
EOS-2-12431,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6c[nH]nn6)s5)n34)cc2)nc1,OPJAGAQJNRHMIZ-UHFFFAOYSA-N,2,1,0.31,38,693,441.455,3.901,6,0.442,0.59,1.0,0.1827496401891577,0.2704835172366527,0.382633130011651,0.45589747104379413,0.3229409396203139
EOS-2-12432,Fc1cc(-c2nnc3cncc(-c4cn(-c5nncs5)nn4)n23)ccc1-c1ccccc1,XHFCHDQATHNKKI-UHFFFAOYSA-N,2,1,0.35,3,39,441.455,3.697,6,0.411,0.65,1.0,0.014066890548968543,0.19982352134877665,0.3078867109862244,0.4591957370982112,0.2452432149955452
EOS-2-12433,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(C)n5)n34)cn2)cn1,CTEIRLIDEFKUFY-UHFFFAOYSA-N,2,1,0.438,65,822,441.455,2.372,5,0.371,0.59,1.0,0.4927952162291824,0.3745716537591666,0.08075183332191077,0.03695771365910493,0.2462691042423412
EOS-2-12434,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)nn1,BTGLWWDTPJRCJG-UHFFFAOYSA-N,2,1,0.31,3,39,441.455,3.697,6,0.411,0.63,1.0,0.013407237338085121,0.2044410938249606,0.3750942361729833,0.4592043040230279,0.26303671783976423
EOS-2-12435,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nn2)nc1,PDUIUZOJBJHBPL-UHFFFAOYSA-N,2,1,0.312,42,618,441.455,3.697,6,0.411,0.68,1.0,0.034087793845521214,0.1459975327256528,0.2862123912000548,0.3864882461791515,0.21319649098759508
EOS-2-12436,Fc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)cs1,XLTUGKMQKPPVHE-UHFFFAOYSA-N,2,1,0.325,38,154,441.455,3.901,6,0.442,0.64,1.0,0.20793639915016107,0.3308203687204441,0.42968268110479063,0.42437118771845656,0.3482026591734631
EOS-2-12437,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,ORHZVVOKXJQDDN-UHFFFAOYSA-N,2,1,0.325,9,7,441.455,3.901,6,0.442,0.71,1.0,0.14393290384483587,0.28056678774587074,0.5450106229867727,0.5815571242546775,0.3877668597080392
EOS-2-12438,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3ccc(-c4ncccn4)s3)n12,WLEBNAQKGKBTDM-UHFFFAOYSA-N,2,1,0.306,76,154,441.455,3.901,6,0.442,0.62,1.0,0.2541378246864506,0.42598176958399014,0.3487338085120965,0.390009252278802,0.3547156637653348
EOS-2-12439,COCc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cccnn5)n34)c2)cn1,JZPWUGVEBRBZII-UHFFFAOYSA-N,2,1,0.388,18,840,441.455,2.201,5,0.354,0.71,0.996,0.3401154821465287,0.09570968405181277,0.09263415804262902,0.06734459598382564,0.148950980056199
EOS-2-12440,N#Cc1ccccc1-c1ccc(-c2cncc3nnc(-c4ocnc4-c4ccccc4)n23)nc1,HTVZRWNBSLEROI-UHFFFAOYSA-N,2,1,0.333,30,93,441.454,5.047,6,0.377,0.7,1.0,0.17401137687615653,0.14992975121650332,0.670516071550956,0.7208467548488795,0.4288259886231238
EOS-2-12441,N#Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1,ZSSRSUHEVUARNL-UHFFFAOYSA-N,2,1,0.354,21,538,441.454,5.047,6,0.377,0.7,1.0,0.31031971763415805,0.3457610856007128,0.8377167431978617,0.8373912000548284,0.5827971866218903
EOS-2-12442,CCOCc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)s1,WKZXBHKNDPJAEM-UHFFFAOYSA-N,2,1,0.529,15,655,458.547,4.468,5,0.322,0.73,1.0,0.39509800561990266,0.3115533548077582,0.27882770200808715,0.22606401206223015,0.30288576862449457
EOS-2-12443,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)o2)cc1,XROVJHIKFLBZSW-UHFFFAOYSA-N,2,1,0.397,3,641,441.451,4.771,6,0.389,0.7,1.0,0.29738366116098963,0.48314885888561443,0.5450191899115894,0.612081077376465,0.48440819683366465
EOS-2-12444,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc6c(c5)OCO6)n34)cn2)n1,SRCKUBDTQXTOMZ-UHFFFAOYSA-N,2,1,0.578,15,73,441.451,2.937,6,0.396,0.71,1.0,0.6357771914193681,0.2913696799396889,0.39740250839558633,0.2678534713179357,0.39810071276814474
EOS-2-12445,Fc1cc(-c2cscn2)ccc1-c1cncc2nnc(-c3ccc(-c4ncco4)nc3)n12,MPEJGUBVENYKPG-UHFFFAOYSA-N,2,1,0.333,32,20,441.451,4.771,6,0.389,0.66,1.0,0.25414639161126723,0.40311664724830376,0.6068295524638476,0.6120896443012817,0.46904555890617505
EOS-2-12446,COc1cncc(COc2cncc3nnc(-c4cc(-c5ccc(OC)nc5)ccn4)n23)c1,CCIFMEIROIOEKZ-UHFFFAOYSA-N,2,1,0.404,18,160,441.451,3.24,5,0.376,0.79,1.0,0.4034507573161538,0.18210712082790761,0.47595264203961346,0.2678620382427524,0.33234313960660683
EOS-2-12447,COc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(OC)nc5)ccn4)n23)c1,ZCUULMXJOGDIPY-UHFFFAOYSA-N,2,1,0.432,49,160,441.451,3.24,5,0.376,0.79,1.0,0.29189226235350557,0.1865533548077582,0.4296912480296073,0.2293451442670139,0.28437050236447126
EOS-2-12448,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)s5)n34)cn2)ccn1,ZAYFFZLRBCPCOO-UHFFFAOYSA-N,2,1,0.295,32,723,441.451,4.771,6,0.364,0.62,1.0,0.26752792817490234,0.34059522993626207,0.6068381193886643,0.6120982112260983,0.45676487218148176
EOS-2-12449,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)s2)cn1,PQZUQKZEGGNCOH-UHFFFAOYSA-N,2,1,0.361,41,818,441.451,4.771,6,0.364,0.65,1.0,0.2999708724556233,0.42159550407785623,0.5907665684325955,0.6024432869577137,0.47869405798094716
EOS-2-12450,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccoc5)nn4)n23)cc1,YXFGYCUMULIISM-UHFFFAOYSA-N,2,1,0.517,89,731,441.451,3.122,5,0.395,0.76,1.0,0.39927866493043657,0.18211568775272427,0.1964824206702762,0.09116064697416215,0.2172593550818998
EOS-2-12451,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)o2)cc1,DENUGZPAGLHSST-UHFFFAOYSA-N,2,1,0.397,3,641,441.451,4.771,6,0.389,0.74,1.0,0.2779710095264204,0.46576656843259545,0.5282879857446371,0.5965920773079295,0.4671544102528956
EOS-2-12452,Fc1cc(-c2cnco2)ccc1-c1nnc2cncc(-c3ccc(-c4csnn4)cc3)n12,QDAOVMJBXBSXMH-UHFFFAOYSA-N,2,1,0.342,69,38,441.451,4.771,6,0.389,0.73,1.0,0.23548762936056472,0.36979130971146595,0.7155609622369954,0.7369954081282982,0.514458827359331
EOS-2-12453,COc1cccc(-c2nccc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)n2)n1,IQBLPVZTXNMDQD-UHFFFAOYSA-N,2,1,0.474,89,731,441.451,2.723,5,0.406,0.75,1.0,0.5991364539784799,0.40771708587485433,0.3372369954081283,0.20290761428277707,0.3867495373860599
EOS-2-12454,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)s4)n23)ccc1-c1cnco1,JOHHRCGMGYGPAZ-UHFFFAOYSA-N,2,1,0.284,42,557,441.451,4.771,6,0.389,0.6,1.0,0.3631091083544651,0.3932818175587691,0.5383198547049551,0.5751062298677266,0.467454252621479
EOS-2-12455,Fc1cc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)ccc1-c1cnco1,AXGBINHAOBHWTF-UHFFFAOYSA-N,2,1,0.355,9,38,441.451,4.771,6,0.389,0.77,1.0,0.24094476046878213,0.3261599616201768,0.7260468782125968,0.7473099856075663,0.5101153964772805
EOS-2-12456,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)cc1,CVDQRFWPVSHBOO-UHFFFAOYSA-N,2,1,0.37,32,20,441.451,4.771,6,0.389,0.77,1.0,0.30247241450209034,0.4304879720375574,0.4446405318346926,0.5161315194297855,0.42343310945103146
EOS-2-12457,COc1ccccc1COc1cncc2nnc(-c3cc(-c4cnc(CO)nc4)ccn3)n12,PZDQPCIDBLWCEY-UHFFFAOYSA-N,2,1,0.421,18,160,441.451,2.723,5,0.406,0.75,1.0,0.35624700157631417,0.13869851278185183,0.3935730930025358,0.25259577821945034,0.28527859639503805
EOS-2-12458,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ccc(-c4ncco4)s3)n12,OHVWSQQIUNRHRK-UHFFFAOYSA-N,2,1,0.347,32,126,441.451,4.771,6,0.389,0.68,1.0,0.37011685285449936,0.5475121650332396,0.4832602289082311,0.49587074223836614,0.4741899972585841
EOS-2-12459,COc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(OC)c4)n23)n1,UAEQIDKYGIFAPZ-UHFFFAOYSA-N,2,1,0.5,97,61,441.451,3.24,5,0.376,0.74,1.0,0.412266122952505,0.24997429922555,0.34874237543691317,0.1889263929819752,0.2999772976492358
EOS-2-12460,COCCN(C)c1ccc(-c2cncc3nnc(-c4ccc(-c5nnc(C)s5)cc4)n23)cn1,DGCNHYYCPCKTLP-UHFFFAOYSA-N,2,1,0.301,61,336,458.551,3.763,5,0.364,0.67,1.0,0.05182989514084024,0.005868343499417449,0.08319340689466109,0.04065862517990542,0.04538756767870605
EOS-2-12461,CSc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cn(C)nc1C,SWEJVRGFXUAWCM-UHFFFAOYSA-N,2,1,0.465,49,456,458.551,3.634,5,0.341,0.66,0.995,0.2808751970392708,0.07942395997532725,0.16397094099102186,0.10327427866493044,0.15688609416763757
EOS-2-12462,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(C#N)ccn4)n23)cc1F,DSUSLQZKLZKZHH-UHFFFAOYSA-N,2,1,0.527,37,563,441.43,2.614,5,0.394,0.61,0.997,0.7714087451168529,0.7525186758961003,0.4446490987595093,0.42437975464327327,0.5982390686039339
EOS-2-12463,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1ccc(C#N)nc1,JXMLJEWJFNDBFI-UHFFFAOYSA-N,2,1,0.454,95,493,441.43,2.614,5,0.394,0.67,0.999,0.47307415530121305,0.4216040710026729,0.4372901103419916,0.4117178397642382,0.435921544102529
EOS-2-12464,N#CCCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccncc4F)n23)cn1,GTBMPCQBJSTHOB-UHFFFAOYSA-N,2,1,0.404,55,823,441.43,3.077,5,0.378,0.73,0.955,0.5815742581043108,0.4352511822356247,0.4695274484271126,0.4399544239599753,0.48157682818175584
EOS-2-12465,Cn1nc(COc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cc4)n23)cc1F,YYKYVEAUJKDQFU-UHFFFAOYSA-N,2,1,0.518,67,415,441.43,2.953,6,0.405,0.73,1.0,0.5178877390172024,0.4657751353574121,0.28622095812487147,0.3036803509012405,0.3933910458501816
EOS-2-12466,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccc(C#N)nc1,OILOGFVIKHQIGL-UHFFFAOYSA-N,2,1,0.464,95,493,441.43,2.614,5,0.394,0.67,1.0,0.4539784798848605,0.41717497087245564,0.46580083613186213,0.4243883215680899,0.4403356521143171
EOS-2-12467,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1cncc(C#N)c1,UZDDSVQIJZEVOL-UHFFFAOYSA-N,2,1,0.412,95,235,441.43,2.614,5,0.394,0.65,0.999,0.40556678774587074,0.35534747447056403,0.37121341923103285,0.3833184839969844,0.37886154136111305
EOS-2-12468,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)ncc2F)n1C,GTOLDTNFJIHKCW-UHFFFAOYSA-N,2,1,0.522,36,926,441.43,2.88,5,0.408,0.63,1.0,0.7055547940511274,0.7159893084778288,0.35241758618326363,0.35422520731958057,0.5320467240079502
EOS-2-12469,N#CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)c1,OPKUVHFWEDVMAN-UHFFFAOYSA-N,2,1,0.46,87,304,441.43,2.729,5,0.378,0.67,0.986,0.630054485641834,0.6048420259063807,0.4186913165650058,0.39001781920361867,0.5109014118292098
EOS-2-12470,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C#N)cn5)n34)nc2F)cn1,MCYSEYLBRJCBHG-UHFFFAOYSA-N,2,1,0.443,31,773,441.43,2.614,5,0.369,0.64,1.0,0.5789013775615105,0.47904530189843053,0.4797734905078473,0.4214327325063395,0.48978822561853197
EOS-2-12471,Cn1c(C#N)cnc1-c1cncc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,RPQNWXBORQDBFS-UHFFFAOYSA-N,2,1,0.506,65,184,441.43,2.614,5,0.394,0.67,1.0,0.6932441230895757,0.60024158727983,0.4554519909533274,0.41794599410595573,0.5417209238571722
EOS-2-12472,Cn1nc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1-c1cccc(C#N)c1F,QSSZMPPYGRTBNO-UHFFFAOYSA-N,2,1,0.426,95,54,441.43,2.614,5,0.394,0.65,1.0,0.4630936878897951,0.4259903365088068,0.3826416969364677,0.3928277705434857,0.41613837296963885
EOS-2-12473,Cn1nc(-c2nccs2)nc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,ONZMTEBFNQTMHZ-UHFFFAOYSA-N,2,1,0.456,92,185,441.427,2.955,5,0.396,0.63,0.518,0.4014032622849702,0.5152319923240354,0.09491296004386265,0.09116921389897882,0.27567935713796177
EOS-2-12474,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5C#N)n34)cn2)o1,XJKDXVDENDBVMP-UHFFFAOYSA-N,2,1,0.565,84,73,441.426,3.782,5,0.391,0.72,1.0,0.9061750394078542,0.8440648344870125,0.6840175450620245,0.6088427797957645,0.7607750496881639
EOS-2-12475,C#Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)n4)n23)cc1OC,HMOSUSOTWXCHEA-UHFFFAOYSA-N,2,1,0.485,4,248,441.426,3.215,5,0.295,0.65,1.0,0.6188917826057159,0.5426375848125556,0.6096909053526146,0.4592128709478446,0.5576082859296827
EOS-2-12476,Cc1cnc(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(CC(=O)O)nc5)n34)cn2)c1,QJZGTRBZYZCCSJ-UHFFFAOYSA-N,2,1,0.348,82,514,441.426,3.385,5,0.412,0.74,0.999,0.2490662051949832,0.22960215201151396,0.4335891988211911,0.3383506956342951,0.31265206291549585
EOS-2-12477,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)n(C)n1,JIWQVNNWNTUCQG-UHFFFAOYSA-N,2,1,0.311,99,502,441.419,1.293,6,0.413,0.51,0.999,0.21330786101021176,0.22449626482077994,0.022650949215269688,0.014186827496401891,0.11866047563566581
EOS-2-12478,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cc(-c5nnco5)nn4C)n23)cc1,LFBWUXWYBAVZPG-UHFFFAOYSA-N,2,1,0.375,67,789,441.415,2.163,6,0.391,0.65,1.0,0.3305890617503941,0.1998320882735933,0.052241107532040296,0.03803714618600507,0.15517485093550817
EOS-2-12479,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)no1,FMEQUUHPHKYDRW-UHFFFAOYSA-N,2,1,0.5,56,447,441.415,1.939,6,0.406,0.62,1.0,0.372318552532383,0.27564080597628676,0.05036495099719005,0.05356041395380714,0.18797118086491676
EOS-2-12480,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)no1,SSCTWWXPXQLXAZ-UHFFFAOYSA-N,2,1,0.462,56,425,441.415,1.939,6,0.406,0.68,1.0,0.3928277705434857,0.25996333356178464,0.05972859982180796,0.04977383318483997,0.19057338427797957
EOS-2-12481,CNC(=O)c1ncc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)n4)n23)cn1,GXJUMUPCKXVQBK-UHFFFAOYSA-N,2,1,0.449,92,185,441.415,0.767,5,0.396,0.66,1.0,0.3992872318552532,0.1210592145843328,0.011059899938318142,0.0032468645055170994,0.13366330272085533
EOS-2-12482,Cn1cc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)o2)nn1,DDDSIAJKKWLECJ-UHFFFAOYSA-N,2,1,0.467,56,425,441.415,1.939,6,0.406,0.63,1.0,0.39510657254471937,0.23433966143513124,0.06370365293674182,0.04703241724350627,0.18504557604002467
EOS-2-12483,O=c1[nH]c(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)nn1-n1cccc1,HMZJLCMGMGYSOO-UHFFFAOYSA-N,2,1,0.413,40,25,441.411,2.023,6,0.415,0.55,0.936,0.29997943938043997,0.22961071893633062,0.11306627373038174,0.11224384894798163,0.1887250702487835
EOS-2-12484,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(OCc3nc(-c4ccno4)no3)n12,CUGCKJNUGBTFBA-UHFFFAOYSA-N,2,1,0.374,6,414,441.411,2.809,6,0.379,0.65,1.0,0.28366801452950446,0.13870707970666848,0.031235007881570832,0.03804571311082174,0.12291395380714137
EOS-2-12485,COc1nc(-c2nnc3cncc(OCCc4ccc(C#N)cn4)n23)ccc1-c1ncon1,RGRMOQJPHMOFFJ-UHFFFAOYSA-N,2,1,0.453,49,896,441.411,2.133,5,0.365,0.55,1.0,0.5491570145980399,0.2704920841614694,0.13017442258926737,0.08917312041669523,0.259749160441368
EOS-2-12486,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccoc6)no5)n34)cc2)n[nH]1,BJKMGXWEQPETGD-UHFFFAOYSA-N,2,1,0.442,56,425,441.411,3.107,6,0.409,0.63,1.0,0.4607120827907614,0.36472825714481527,0.08320197381947776,0.06735316290864231,0.24399886916592423
EOS-2-12487,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)on2)no1,ZVFGVUFSWGUXEY-UHFFFAOYSA-N,2,1,0.517,40,2,441.407,3.977,6,0.374,0.71,1.0,0.5411726406689055,0.3503786580768967,0.18311801795627441,0.17500514015489,0.31241861421424166
EOS-2-12488,Fc1c(-c2cc[nH]n2)ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1F,RMHOOCDFTFAIBE-UHFFFAOYSA-N,2,1,0.282,9,7,441.405,3.912,6,0.429,0.7,1.0,0.3279590158316771,0.3839353025837845,0.7812864094304708,0.7843362346652045,0.5693792406277842
EOS-2-12489,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)nn2)c(F)c1,XMZLNKNPGHTGHH-UHFFFAOYSA-N,2,1,0.31,3,783,441.405,3.707,6,0.448,0.75,0.964,0.03293125899527106,0.20931567404564458,0.6787660201494071,0.7370039750531149,0.4145042320608594
EOS-2-12490,Fc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c1,LXGDBSCTRYABRO-UHFFFAOYSA-N,2,1,0.313,3,7,441.405,3.707,6,0.448,0.69,1.0,0.031586251799054214,0.1738057706805565,0.7440888218764992,0.7677763689945857,0.4293143033376739
EOS-2-12491,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)ccc1-c1cc[nH]n1,SAEYZDCNQGADLE-UHFFFAOYSA-N,2,1,0.333,96,7,441.405,3.912,6,0.429,0.62,1.0,0.33543794119662806,0.3932903844835858,0.7917894592557055,0.8087948050167911,0.5823281474881776
EOS-2-12492,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cc1F,NPQMRHCNUGIIRM-UHFFFAOYSA-N,2,1,0.321,3,7,441.405,3.707,6,0.448,0.72,1.0,0.041343979165238846,0.2245048317455966,0.7766431361798369,0.7843448015900213,0.4567091871701734
EOS-2-12493,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)c(F)c1,PMJFJYYOJUTBFO-UHFFFAOYSA-N,2,1,0.314,3,783,441.405,3.707,6,0.448,0.68,1.0,0.08416146939894456,0.3308289356452608,0.645603454184086,0.7100695634295113,0.4426658556644507
EOS-2-12494,Fc1ccc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c1,ZSMCSDZQVVPJKL-UHFFFAOYSA-N,2,1,0.318,3,7,441.405,3.707,6,0.448,0.7,1.0,0.04863443218422315,0.25513158796518404,0.7388544308135152,0.7654118977451854,0.45200808717702695
EOS-2-12495,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccns6)cc5)n34)s2)cs1,BTGSQWGCDWFPBE-UHFFFAOYSA-N,2,1,0.262,32,126,458.597,6.075,6,0.32,0.61,1.0,0.04419676512918923,0.09571825097662943,0.35242615310808034,0.3864968131039682,0.2197094955794668
EOS-2-12496,N#Cc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)ccc1F,YNEUNHCWQYAEMQ-UHFFFAOYSA-N,2,1,0.535,43,613,441.401,3.977,5,0.407,0.68,1.0,0.9364933863340416,0.8877732849016517,0.9157014598039888,0.8969741621547529,0.9092355732986088
EOS-2-12497,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)c(F)c1F,HAMCYIKKGWCWMO-UHFFFAOYSA-N,2,1,0.518,43,178,441.401,3.977,5,0.407,0.73,1.0,0.9755414296484134,0.9280806661640737,0.942284627510109,0.9144678226303886,0.9400936364882462
EOS-2-12498,Fc1cccc(F)c1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)nn1,AYKLFNHEIYDDEL-UHFFFAOYSA-N,2,1,0.317,3,783,441.401,4.577,6,0.398,0.76,1.0,0.039827633472688646,0.20444966074977727,0.762610513330135,0.8215166883695428,0.45710112398053593
EOS-2-12499,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)cn2)c(F)c1,OKKXUCTVIYXDMO-UHFFFAOYSA-N,2,1,0.317,10,673,441.401,4.577,6,0.398,0.68,0.735,0.02920464670002056,0.1653673497361387,0.8127698581317251,0.837399766979645,0.46118540538688235
EOS-2-12500,N#Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)ncc1F,HOMUVNQFUCBAKP-UHFFFAOYSA-N,2,1,0.512,97,744,441.401,3.977,5,0.38,0.64,1.0,0.8636231238434652,0.8904890000685354,0.9184257418956892,0.8956291549585361,0.8920417551915565
EOS-2-12501,N#Cc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1cccc(F)c1,WGWRLWNLWPPDFK-UHFFFAOYSA-N,2,1,0.484,1,92,441.401,3.977,5,0.407,0.72,1.0,0.6813960660681242,0.7296364197107806,0.8310516756904941,0.8354122404221781,0.7693741004728942
EOS-2-12502,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cn2)cc1F,RVEABXBRNAIDNU-UHFFFAOYSA-N,2,1,0.494,97,992,441.401,3.977,5,0.38,0.72,1.0,0.9046158590912207,0.882376122267151,0.9249708724556234,0.9008721129463367,0.903208741690083
EOS-2-12503,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)cc1F,KLPCXGDMWYUGFE-UHFFFAOYSA-N,2,1,0.356,3,150,441.401,4.577,6,0.398,0.73,1.0,0.10367692413131382,0.31156192173257485,0.8887584812555686,0.8873877732849017,0.5478462751010897
EOS-2-12504,Fc1ccc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1,VICQVAXJZACXIV-UHFFFAOYSA-N,2,1,0.329,3,150,441.401,4.577,6,0.398,0.75,1.0,0.1140343362346652,0.3356949489411281,0.8685405386882324,0.8760708656020835,0.5485851723665274
EOS-2-12505,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)cn4)n23)c(F)c1,UJSARLYJHAFWHR-UHFFFAOYSA-N,2,1,0.506,97,744,441.401,3.977,5,0.38,0.75,1.0,0.8310602426153109,0.907083133438421,0.9193081351518059,0.901951545473237,0.8898507641696936
EOS-2-12506,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccc(F)n5)n4)n23)cc1,CLRNZGKBVAHXOU-UHFFFAOYSA-N,2,1,0.522,1,268,441.401,3.977,5,0.38,0.75,0.964,0.929854019601124,0.92443972311699,0.8408522376807621,0.8294753615242273,0.8811553354807758
EOS-2-12507,N#Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)ccc1F,QLPGFUVWVUGIGV-UHFFFAOYSA-N,2,1,0.566,59,817,441.401,3.977,5,0.407,0.71,1.0,0.9612517990542115,0.9207045438969228,0.9540555822082105,0.9415136042766089,0.9443813823589884
EOS-2-12508,Fc1ccc(F)c(-c2nnc3cncc(OCc4cnc(-c5cnsc5)cn4)n23)c1F,LIYNBIHFCNDAGV-UHFFFAOYSA-N,2,1,0.482,73,877,441.398,3.701,5,0.384,0.56,1.0,0.6134003837982318,0.6722037557398396,0.7579244054554177,0.754874580220684,0.6996007813035433
EOS-2-12509,Fc1ccc(-c2nnc3cncc(OCc4snnc4-c4ccc(F)nc4)n23)c(F)c1,ANLNLSJVWZPRFY-UHFFFAOYSA-N,2,1,0.517,34,10,441.398,3.701,5,0.384,0.71,1.0,0.5234134055239531,0.7569392091015009,0.6330700431773011,0.7232883284216298,0.6591777465560962
EOS-2-12510,Fc1cncc(-c2nc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ns2)c1,WEIIQMBJNRQJJJ-UHFFFAOYSA-N,2,1,0.487,50,121,441.398,4.112,5,0.405,0.71,1.0,0.38158796518401755,0.6145911863477486,0.7388629977383319,0.7750325543143033,0.6275186758961003
EOS-2-12511,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)s2)nc1,PBCVERSCNMYAIN-UHFFFAOYSA-N,2,1,0.535,34,10,441.398,3.701,5,0.411,0.69,1.0,0.6962511137002262,0.8229130971146598,0.5146151737372353,0.629309163182784,0.6657721369337263
EOS-2-12512,Fc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccccn5)s4)n23)c(F)c1F,LKGVNXGVBLIXKM-UHFFFAOYSA-N,2,1,0.483,34,820,441.398,3.701,5,0.384,0.7,1.0,0.6357857583441848,0.752527242820917,0.5314149133027208,0.5995562332944966,0.6298210369405799
EOS-2-12513,Cn1nnc(-c2ncc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cn2)n1,XMDYWLGXZGNIBI-UHFFFAOYSA-N,2,1,0.284,99,286,441.394,1.159,6,0.391,0.63,0.995,0.026951545473236926,0.142433692001919,0.01642279487355219,0.03174045644575423,0.054387122198615585
EOS-2-12514,Fc1cnc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)cn1,DXQPUJDBZSRCRI-UHFFFAOYSA-N,2,1,0.326,8,927,441.39,2.077,6,0.391,0.69,0.96,0.12182167089301624,0.24005380028784867,0.06993180727845932,0.11690425604824892,0.1371778836268933
EOS-2-12515,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncc(F)cn6)nn5)n34)cc2)o1,SAAPVORDMLWWRH-UHFFFAOYSA-N,2,1,0.308,98,618,441.39,2.327,6,0.4,0.68,1.0,0.026960112398053595,0.11767527928174902,0.07209067233225962,0.0891816873415119,0.07647693783839353
EOS-2-12516,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)n1,BRYGMEHLUSBSBS-UHFFFAOYSA-N,2,1,0.313,98,63,441.39,2.233,6,0.4,0.7,1.0,0.2999880063052567,0.27050065108628607,0.14222808580631896,0.17501370707970668,0.2219326125693921
EOS-2-12517,Cc1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c(F)c2)o1,ZEHPDTBYJWFQTC-UHFFFAOYSA-N,2,1,0.309,98,424,441.386,3.401,6,0.4,0.74,1.0,0.29999657323007334,0.364736824069632,0.24251250771023233,0.252604345144267,0.2899625625385512
EOS-2-12518,Fc1cc(-c2nnco2)cnc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,YXWNGQNFPMJGRN-UHFFFAOYSA-N,2,1,0.365,67,622,441.386,3.558,6,0.426,0.62,1.0,0.7114745390994449,0.6193458296209993,0.44811013638544306,0.40490713453498733,0.5459594099102186
EOS-2-12519,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6nnco6)c5)n34)c(F)c2)o1,KPRSVZLRKZCHBE-UHFFFAOYSA-N,2,1,0.325,98,424,441.386,3.401,6,0.4,0.67,1.0,0.3180213830443424,0.3503872250017134,0.2862295250496882,0.2882341854567884,0.31071807963813314
EOS-2-12520,Cc1ncc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)no2)cc1F,MXMWZFGUKOMMCN-UHFFFAOYSA-N,2,1,0.321,42,635,441.386,3.401,6,0.4,0.77,1.0,0.2595863888698513,0.33570351586594477,0.2280172709204304,0.24088479199506546,0.26604799191282297
EOS-2-12521,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)n[nH]1,XUYUKEGSIUTUKP-UHFFFAOYSA-N,2,1,0.489,36,51,441.377,2.908,5,0.446,0.72,0.995,0.6162189020629155,0.5659824549379755,0.8236841203481599,0.7042697553286272,0.6775388081694196
EOS-2-12522,Cn1ncnc1COc1cncc2nnc(-c3ccc(-c4nccn4C(F)F)c(F)c3)n12,DFKTVDNKPBYRAR-UHFFFAOYSA-N,2,1,0.44,36,610,441.377,2.897,5,0.399,0.61,1.0,0.5991450209032966,0.6145997532725653,0.545027756836406,0.4958793091631828,0.5636629600438627
EOS-2-12523,c1nc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4)n23)ncc1-c1conn1,CUXDSUDNZMETPE-UHFFFAOYSA-N,2,1,0.365,51,855,441.375,0.785,6,0.383,0.64,1.0,0.36311767527928174,0.29137824686450553,0.026685970803920225,0.02178568980878624,0.17574189568912343
EOS-2-12524,Cn1ccc(-c2noc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)c1F,DEFHQLDXUDWUGG-UHFFFAOYSA-N,2,1,0.483,27,343,441.373,3.836,5,0.395,0.73,1.0,0.6994380097320266,0.6048505928311974,0.7557912411760674,0.7042783222534439,0.6910895414981838
EOS-2-12525,c1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6nnco6)nn5)n34)cn2)no1,NQNXLHAGYLJSSP-UHFFFAOYSA-N,2,1,0.402,6,843,441.371,1.655,6,0.366,0.57,1.0,0.39929579878006993,0.2860410527037215,0.025709341374820095,0.025152491261736687,0.18404967103008704
EOS-2-12526,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(OC(F)F)cn5)n34)n(C)n2)o1,MSMJPZXYDPPLAO-UHFFFAOYSA-N,2,1,0.37,53,105,441.358,2.672,5,0.387,0.56,1.0,0.5204578164622027,0.42599890343362345,0.23896580083613186,0.18074497978205742,0.34154187512850387
EOS-2-12527,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)no1,UMCZDHITZFEPGG-UHFFFAOYSA-N,2,1,0.711,36,728,441.358,2.15,5,0.37,0.72,1.0,0.4307878144061408,0.47451339867041326,0.28623809197450484,0.282468645055171,0.3685019875265575
EOS-2-12528,COc1cc(-c2nnc3cncc(OCc4ncnn4C(F)F)n23)ccc1-c1ncon1,KBNPZWHVHPXSSH-UHFFFAOYSA-N,2,1,0.452,36,375,441.358,2.416,5,0.371,0.6,1.0,0.5564646014666575,0.40772565279967105,0.25336680145295043,0.15639777945308753,0.3434887087930916
EOS-2-12529,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(C(F)(F)F)c5)n34)cn2)n1,JSYQZYOAVPDELN-UHFFFAOYSA-N,2,1,0.361,22,542,441.352,3.202,5,0.397,0.69,1.0,0.31306113357549176,0.4615602083476115,0.8947467617024193,0.8414005208690288,0.6276921561236378
EOS-2-12530,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5nncn5C(F)F)cc4)n23)c(F)c1,UAARRBWHFPMRRG-UHFFFAOYSA-N,2,1,0.543,13,145,441.348,4.515,5,0.373,0.76,1.0,0.7146614351312452,0.8111164416421082,0.9460969090535262,0.9337519703927079,0.8514066890548969
EOS-2-12531,Fc1cc(F)cc(-n2ncnc2COc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,QRMLWKYECLTENY-UHFFFAOYSA-N,2,1,0.529,34,612,441.348,3.507,5,0.388,0.69,0.952,0.5287420327599205,0.6002501542046467,0.8456582825029128,0.8845778219450346,0.7148070728531286
EOS-2-12532,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)cc1F,MCQAOBQGQATWOO-UHFFFAOYSA-N,2,1,0.472,22,331,441.348,3.919,5,0.385,0.63,1.0,0.24338633404153245,0.7654718662189021,0.9415307381262422,0.9423702967582757,0.7231898087862381
EOS-2-12533,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nccc(F)c5F)n34)n[nH]2)cc1F,CVKMVGYHZLQDBD-UHFFFAOYSA-N,2,1,0.426,59,607,441.348,3.712,5,0.418,0.64,0.894,0.5359982180796381,0.5289647728051539,0.920207662257556,0.9272325406072236,0.7281007984373928
EOS-2-12534,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c(F)c2)n1,JZPSRLNOIHIHCF-UHFFFAOYSA-N,2,1,0.48,96,243,441.348,4.37,5,0.384,0.79,1.0,0.41227468987732163,0.5380885477349051,0.9422931944349257,0.877552943595367,0.6925523439106298
EOS-2-12535,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3cccc(OC(F)(F)F)c3)n12,WWLMYTHYZUKKOT-UHFFFAOYSA-N,2,1,0.386,96,121,441.348,4.281,5,0.419,0.7,1.0,0.6300630525666506,0.7739702556370365,0.9795336166129806,0.9647556713042287,0.837080649030224
EOS-2-12536,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,KFMGJQDZNRARRH-UHFFFAOYSA-N,2,1,0.481,96,121,441.348,4.281,5,0.419,0.72,1.0,0.6328815708313343,0.7867435405386882,0.9826091426221644,0.967762661914879,0.8424992289767664
EOS-2-12537,Cc1nc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2F)no1,RTVQFLKBZDNLAC-UHFFFAOYSA-N,2,1,0.387,50,243,441.348,4.428,5,0.381,0.72,0.985,0.3227588924679597,0.515240559248852,0.8830529093276678,0.8539082311013638,0.6437401480364608
EOS-2-12538,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nn2)c(F)c1,MHDMGGQFAZUIMH-UHFFFAOYSA-N,2,1,0.582,34,612,441.348,3.507,5,0.388,0.68,1.0,0.3928363374683024,0.6236549928037831,0.894755328627236,0.9166266876841889,0.7069683366458777
EOS-2-12539,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1F,SCNJQJWWRFEVKL-UHFFFAOYSA-N,2,1,0.512,34,612,441.348,3.507,5,0.388,0.67,1.0,0.5963950380371462,0.6425279281749023,0.8947638955520526,0.9088136522513879,0.7606251285038723
EOS-2-12540,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cnc(-c4ncon4)nc3)n12,QAGPTTDMHSTOAN-UHFFFAOYSA-N,2,1,0.471,7,863,441.333,2.682,5,0.363,0.54,1.0,0.730167569049414,0.6770869028853402,0.42264923583030634,0.3609759440751148,0.5477199129600439
EOS-2-12541,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4nc(-c5cnccn5)no4)n23)cn1,UOQWVTVKSPXWLR-UHFFFAOYSA-N,2,1,0.535,7,535,441.333,2.624,5,0.401,0.69,1.0,0.6020320745665136,0.6380045918717018,0.5553166335412241,0.3990387910355699,0.5485980227537524
EOS-2-12542,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)on2)nn1,OQZIRVWHDFJSBB-UHFFFAOYSA-N,2,1,0.473,55,69,441.333,2.682,5,0.388,0.69,0.801,0.7686073607018025,0.7113717360016448,0.4149904050442053,0.3705280652456994,0.5663743917483379
EOS-2-12543,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4noc(-c5cnccn5)n4)n23)cn1,XTVRVIOJSJHGPY-UHFFFAOYSA-N,2,1,0.529,51,48,441.333,2.624,5,0.401,0.77,1.0,0.5935508189980124,0.5704800904667261,0.5582293879788911,0.39904735796038654,0.5303269138510041
EOS-2-12544,COc1nc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)c(F)cc1-c1nnco1,BSMZEALQUHWQPB-UHFFFAOYSA-N,2,1,0.407,13,251,441.329,3.455,5,0.405,0.59,1.0,0.7450911520800494,0.5909036392296622,0.5582379549037078,0.552455280652457,0.611672006716469
EOS-2-12545,Fc1ccc(-c2cscc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1Cl,JVRYPNSGVDOPPS-UHFFFAOYSA-N,2,1,0.455,45,102,441.318,6.633,5,0.316,0.75,1.0,0.40141182920978685,0.6968079638133096,0.9803132067712974,0.9940202864779659,0.7681383215680899
EOS-2-12546,Clc1cccc(-c2cncc3nnc(-c4ccc(Cl)cc4OC4CCOCC4)n23)c1,CGDPSYUZLRBIHS-UHFFFAOYSA-N,2,1,0.361,0,999,441.318,5.323,5,0.429,0.78,1.0,0.38848433966143514,0.5018333219107669,0.6483962716743198,0.8704680967719828,0.6022955075046261
EOS-2-12547,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4ncc(-c5cccnc5)s4)n23)c1,BPAILHNEVZTTCN-UHFFFAOYSA-N,2,1,0.437,13,110,441.303,5.409,5,0.371,0.76,1.0,0.49280378315399903,0.5244243026523199,0.6787745870742239,0.8046055787814406,0.6251520629154959
EOS-2-12548,Clc1ccc(Oc2cncc3nnc(-c4cccc(-c5nc(Cl)cs5)c4)n23)cn1,ITZKJOQEOAYJNT-UHFFFAOYSA-N,2,1,0.451,13,284,441.303,5.409,5,0.347,0.73,1.0,0.5789099444863272,0.7159978754026455,0.7181653073812624,0.784353368514838,0.6993566239462682
EOS-2-12549,Clc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)c(Cl)c1,ZZAPGAGKRXLMJY-UHFFFAOYSA-N,2,1,0.506,13,995,441.303,5.409,5,0.371,0.74,1.0,0.6189003495305325,0.748115276540333,0.802532382975807,0.8606247001576314,0.757543177301076
EOS-2-12550,Cn1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)n1,DXBKXOHKFUIAOH-UHFFFAOYSA-N,2,1,0.367,22,649,458.7,4.004,5,0.403,0.72,1.0,0.2919008292783222,0.4438181070522925,0.5518298951408402,0.772539579192653,0.515022102666027
EOS-2-12551,Cn1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)n1,FWZAIPBNAUAQKA-UHFFFAOYSA-N,2,1,0.378,22,649,458.7,4.004,5,0.403,0.7,1.0,0.2354961962853814,0.41248029607292164,0.5075131930642177,0.7548831471455006,0.47759320814200534
EOS-2-12552,Cn1nc(-c2ccc(Cl)c(F)c2)nc1-c1cncc2nnc(-c3cncc(Cl)c3)n12,XHKXNOPZISSYIE-UHFFFAOYSA-N,2,1,0.352,22,575,441.257,4.095,5,0.419,0.76,0.995,0.2433949009663491,0.4790538688232472,0.5718593653622096,0.7677849359194023,0.515523267767802
EOS-2-12553,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,CCPRAHCZEWDHNZ-UHFFFAOYSA-N,2,1,0.398,22,311,441.257,4.095,5,0.392,0.61,0.998,0.17676992666712357,0.5289733397299705,0.5416952230827222,0.765420464670002,0.5032147385374546
EOS-2-12554,Cn1nncc1-c1cc(Cl)c(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,RKHKJDRSADQKQK-UHFFFAOYSA-N,2,1,0.386,22,844,441.257,4.095,5,0.419,0.64,1.0,0.2188078267425125,0.45255637036529367,0.7513450071962169,0.8655335480775821,0.5720606880954013
EOS-2-12555,Fc1ccc(Cl)cc1Cn1nnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,LPVTWTUORQYZFK-UHFFFAOYSA-N,2,1,0.395,22,221,441.257,3.939,5,0.42,0.8,1.0,0.3378281132204784,0.6002587211294633,0.5718679322870263,0.8253546706874101,0.5838273593310945
EOS-2-12556,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)nn1,ZKEPNZWISXSHOZ-UHFFFAOYSA-N,2,1,0.371,22,649,441.257,4.095,5,0.419,0.69,1.0,0.25179905421150023,0.46578370228222876,0.7835138098828045,0.87476869302995,0.5939663148516209
EOS-2-12557,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4Cl)n23)n1,YNHPCWIXAJBKMV-UHFFFAOYSA-N,2,1,0.329,22,844,441.257,4.095,5,0.392,0.63,1.0,0.24907477211979986,0.4438266739771092,0.6539219381810705,0.7843619354396546,0.5327963299294085
EOS-2-12558,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)c(Cl)c4)n23)c(Cl)c1,WWWVRFFFIRWCOM-UHFFFAOYSA-N,2,1,0.384,45,533,458.761,6.542,5,0.308,0.77,1.0,0.2836765814543212,0.6097851415255979,0.9408882187649921,0.9791481049962305,0.7033745116852854
EOS-2-12559,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5cccnn5)n4)n23)cc1Cl,HETTWXMASMXNNV-UHFFFAOYSA-N,2,1,0.506,73,391,441.238,3.517,5,0.404,0.8,1.0,0.6244260160372832,0.7525358097457336,0.3154941402234254,0.4746333356178466,0.5417723254060722
EOS-2-12560,Clc1cc(COc2cncc3nnc(-c4cc(-c5cnco5)ncn4)n23)c(Cl)cn1,XEPMYMZNISLKGP-UHFFFAOYSA-N,2,1,0.387,46,395,441.238,3.517,5,0.378,0.6,0.803,0.6020406414913303,0.5244328695771366,0.5417037900075389,0.5995648002193132,0.5669355253238297
EOS-2-12561,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cnno5)nc4Cl)n23)c1,DNRLVFPDAMEVBU-UHFFFAOYSA-N,2,1,0.482,55,62,441.238,3.517,5,0.378,0.61,1.0,0.5707028305119595,0.5755945445822768,0.49337776711671577,0.5906808991844288,0.5575890103488452
EOS-2-12562,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)cc1Cl,SHOINVSYJBQRFD-UHFFFAOYSA-N,2,1,0.536,73,212,441.238,3.517,5,0.404,0.65,1.0,0.6962596806250428,0.8539339318758139,0.4728257144815297,0.5782759920498938,0.6503238297580701
EOS-2-12563,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5cccnn5)n4)n23)c(Cl)c1,KRNONSKNADCMMV-UHFFFAOYSA-N,2,1,0.5,73,446,441.238,3.517,5,0.404,0.79,1.0,0.49770406414913304,0.6575800150777876,0.2710575011993695,0.4495750805290933,0.4689791652388458
EOS-2-12564,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5ncc(Cl)cn5)n4)n23)cc1,KTEGVGNXJMMMJE-UHFFFAOYSA-N,2,1,0.577,73,82,441.238,3.517,5,0.404,0.7,1.0,0.7714173120416695,0.782520046604071,0.18312658488109107,0.35745493797546435,0.523629720375574
EOS-2-12565,O=c1[nH]nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)c(Cl)c5)n34)cc2)o1,KCNRVHQRRRZLDL-UHFFFAOYSA-N,2,1,0.628,13,15,441.234,4.234,5,0.444,0.75,1.0,0.7913097114659722,0.7569477760263176,0.7721112329518196,0.8215252552943595,0.7854734939346171
EOS-2-12566,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)on2)c(F)n1,HYBABMFSAFHUBZ-UHFFFAOYSA-N,2,1,0.511,59,89,458.787,4.491,5,0.358,0.66,1.0,0.9030738126242204,0.9244482900418066,0.9039048043314372,0.9166352546090055,0.9120155404016175
EOS-2-12567,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)c5)no4)n23)c(F)c1F,HVYOAQRFVNJJJM-UHFFFAOYSA-N,2,1,0.511,34,929,458.787,4.491,5,0.358,0.81,1.0,0.7239822493317799,0.8569152217120143,0.8656963196490988,0.9019601123980536,0.8371384757727367
EOS-2-12568,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)o2)cc1F,RPZUUADVXIPDHO-UHFFFAOYSA-N,2,1,0.56,34,146,458.787,4.491,5,0.383,0.7,1.0,0.9108868480570215,0.9528733465835104,0.885468782125968,0.919796449866356,0.9172563566582139
EOS-2-12569,Fc1ccc(-c2nnc3cncc(OCc4nnc(-c5cccc(Cl)c5F)o4)n23)cc1F,PCNGMPOVZVFQGS-UHFFFAOYSA-N,2,1,0.566,34,13,458.787,4.491,5,0.383,0.69,1.0,0.9194195051744226,0.9427301076005757,0.8887670481803852,0.9198050167911727,0.917680419436639
EOS-2-12570,Fc1cc(OC(F)F)c(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1Cl,BFBRQIVSJGGURD-UHFFFAOYSA-N,2,1,0.361,96,558,458.787,4.902,5,0.37,0.72,1.0,0.8080580494825578,0.8717445685696662,0.9671629771777123,0.9647642382290453,0.9029324583647453
EOS-2-12571,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)c(F)c2)o1,YDLHWLMVQNFYNO-UHFFFAOYSA-N,2,1,0.447,13,724,458.787,5.013,5,0.373,0.67,1.0,0.8360804605578781,0.8743660475635666,0.9049756699335206,0.9055924885203207,0.8802536666438214
EOS-2-12572,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)no2)cc1F,AUFPCBVDLGCATH-UHFFFAOYSA-N,2,1,0.544,59,756,458.787,4.491,5,0.383,0.76,1.0,0.889598039887602,0.8877818518264684,0.8959289973271195,0.9241227468987732,0.8993579089849908
EOS-2-12573,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5Cl)n34)o2)cc1,KUKHVXQVADIVBG-UHFFFAOYSA-N,2,1,0.453,45,574,458.787,4.902,5,0.37,0.73,0.998,0.7686159276266191,0.9152388458638887,0.9331865533548077,0.9505003084092934,0.8918854088136523
EOS-2-12574,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nn4)n23)cc1Cl,JHUHQJOAECFFLE-UHFFFAOYSA-N,2,1,0.524,54,251,458.791,4.425,5,0.384,0.69,0.999,0.5541172640668905,0.6529538756767871,0.8887756151052019,0.8887499143307518,0.7461491672949078
EOS-2-12575,Fc1c(Cl)cccc1-n1nnc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,AEKZOSJLUZHAMC-UHFFFAOYSA-N,2,1,0.463,22,990,458.791,3.828,5,0.395,0.81,1.0,0.2566307998081009,0.6968165307381262,0.8253889383866767,0.8845863888698513,0.6658556644506888
EOS-2-12576,Cc1cc(Cl)nnc1-c1ccc(-c2cncc3nnc(-c4cnc(C(F)(F)F)nc4)n23)o1,KZUGGTSHIBQHIU-UHFFFAOYSA-N,2,1,0.317,50,243,458.791,4.279,5,0.394,0.66,0.659,0.32532040298814335,0.5244414365019533,0.7536238091974505,0.6470855321773696,0.5626177952162292
EOS-2-12577,Fc1cnn(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccc2F)n1,WUIPTLUSYHPWOE-UHFFFAOYSA-N,2,1,0.523,34,391,458.791,3.417,5,0.398,0.67,1.0,0.5707113974367761,0.8150829278322254,0.6456120211089027,0.7314097731478308,0.6907040298814338
EOS-2-12578,Fc1ccc(F)c(-n2nnnc2COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,XVEFMHNWSFGCER-UHFFFAOYSA-N,2,1,0.494,34,612,458.791,3.417,5,0.398,0.68,1.0,0.5360067850044548,0.7992169830717566,0.6976903570694264,0.8433109451031457,0.7190562675621959
EOS-2-12579,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)c4)nn3)n12,OFCCFQBEVIRZQR-UHFFFAOYSA-N,2,1,0.416,54,251,458.791,4.425,5,0.384,0.72,1.0,0.4803817421698307,0.6332328147488178,0.8765934480159002,0.8775615105201837,0.7169423788636831
EOS-2-12580,Cn1nnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)cc1Cl,APMUKNHYIFXFJL-UHFFFAOYSA-N,2,1,0.524,13,941,458.791,3.845,5,0.377,0.72,1.0,0.6049705297786306,0.815091494757042,0.8377253101226784,0.8760794325269001,0.7834666917963129
EOS-2-12581,Fc1ccc(-c2nnc3cncc(OCc4nnn(-c5cc(F)ccc5Cl)n4)n23)c(F)c1,AZLOQBSOSOLDNT-UHFFFAOYSA-N,2,1,0.5,34,612,458.791,3.417,5,0.398,0.57,1.0,0.4879035021588651,0.6770954698101569,0.6597560139812213,0.8110650400932081,0.6589550065108628
EOS-2-12582,Fc1ccc(-n2nnnc2COc2cncc3nnc(-c4c(F)cccc4Cl)n23)cc1F,QKXQRXDTBPVHAK-UHFFFAOYSA-N,2,1,0.448,34,612,458.791,3.417,5,0.398,0.66,1.0,0.48791206908368173,0.6771040367349737,0.7078507299019944,0.8433195120279624,0.679046586937153
EOS-2-12583,Fc1ccc(Cl)c(-n2nnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)c1,LOZZDSBMXZWHCB-UHFFFAOYSA-N,2,1,0.518,34,612,458.791,3.417,5,0.398,0.55,1.0,0.5991535878281132,0.7696953601535192,0.697698923994243,0.8272565279967103,0.7234510999931465
EOS-2-12584,Fc1ccc(Cl)cc1-n1nnc(COc2cncc3nnc(-c4c(F)cccc4F)n23)n1,QVCABMINNQJIIH-UHFFFAOYSA-N,2,1,0.432,34,612,458.791,3.417,5,0.398,0.62,1.0,0.42862894935234047,0.5615276540333082,0.6185405386882324,0.7843705023644713,0.5982669111095881
EOS-2-12585,FC(F)(F)Oc1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)cc1,VWFTYRGGOOUGMO-UHFFFAOYSA-N,2,1,0.481,22,990,458.791,3.986,5,0.402,0.8,1.0,0.2752552943595367,0.6918391474196423,0.8865824823521349,0.8969827290795696,0.6876649133027208
EOS-2-12586,Clc1cc(-c2nnco2)cnc1Oc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,ONTFRELGMDMYCO-UHFFFAOYSA-N,2,1,0.372,67,622,458.829,3.467,6,0.407,0.62,1.0,0.6077547803440477,0.5861661298060448,0.3005705571927901,0.30368891782605717,0.44954509629223494
EOS-2-12587,Fc1ccc(-c2nocc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4Cl)n23)cc1,WHEJWMNIKOACHP-UHFFFAOYSA-N,2,1,0.36,69,192,458.84,5.561,6,0.341,0.74,1.0,0.3586543074497978,0.4702470701117127,0.8628092659858817,0.9043759851963539,0.6490216571859365
EOS-2-12588,Fc1cc(Cl)ccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)o1,DSHLSCCVIGXQAU-UHFFFAOYSA-N,2,1,0.364,3,641,458.84,5.561,6,0.341,0.72,1.0,0.3815965321088342,0.6002672880542801,0.7790504420533205,0.8505071619491468,0.6528553560413954
EOS-2-12589,Fc1cnc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cn1,HKFCWPYSNVVFNP-UHFFFAOYSA-N,2,1,0.506,73,212,458.841,3.61,5,0.393,0.66,1.0,0.587502570077445,0.8188181070522925,0.3446302515249126,0.5059368788979508,0.5642219518881503
EOS-2-12590,Fc1cc(F)cc(-c2cc(-c3nnc4cncc(OCc5nc(Cl)ns5)n34)ncn2)c1,IOILUBSFJOSJRT-UHFFFAOYSA-N,2,1,0.461,46,488,458.841,3.61,5,0.393,0.65,1.0,0.4014203961346035,0.5152491261736687,0.4009235144952368,0.5294102528956206,0.4617508224247824
EOS-2-12591,Fc1cnc(-c2nnc3cncc(OCc4sncc4-c4ncc(Cl)cn4)n23)c(F)c1,ZWBABGGFTVSBMT-UHFFFAOYSA-N,2,1,0.4,73,775,458.841,3.61,5,0.393,0.57,1.0,0.6814046329929409,0.6332413816736344,0.30444280720992395,0.44958364745390994,0.5171681173326023
EOS-2-12592,N#Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(F)c(-c4ccccn4)n3)n12,XJLZFNVTNUFAON-UHFFFAOYSA-N,2,1,0.452,24,335,458.844,3.886,5,0.389,0.66,1.0,0.8821019806730176,0.9343002535809746,0.62451168528545,0.6876327873346584,0.7821366767185252
EOS-2-12593,N#Cc1ccc(F)c(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)c1,JPBAAYUBSXFLNT-UHFFFAOYSA-N,2,1,0.432,44,488,458.844,3.886,5,0.389,0.66,0.992,0.7239908162565966,0.7018881502295936,0.8219193338359263,0.8433280789527791,0.7727815948187239
EOS-2-12594,N#Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4ccc(F)nc4)cn3)n12,VNNYHGYXUFZMID-UHFFFAOYSA-N,2,1,0.5,16,969,458.844,3.886,5,0.364,0.72,1.0,0.8763364402714002,0.9463967514221096,0.8044856418340073,0.8174559660064423,0.8611686998834899
EOS-2-12595,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)nn1,GNLUTIKBFXLWPE-UHFFFAOYSA-N,2,1,0.302,3,783,458.844,4.487,6,0.383,0.67,1.0,0.10867144129943115,0.23434822835994792,0.6895860461928586,0.7601946405318347,0.4482000890960181
EOS-2-12596,N#Cc1cc(F)cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)c1,UWXRPWGSIZACRM-UHFFFAOYSA-N,2,1,0.396,44,488,458.844,3.886,5,0.389,0.69,0.984,0.742058460694949,0.667269207045439,0.8456668494277294,0.8639915016105819,0.7797465046946749
EOS-2-12597,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3cnn(-c4ccc(Cl)cc4)c3)n12,QRWPHQANVYNHDZ-UHFFFAOYSA-N,2,1,0.34,3,673,458.844,4.487,6,0.383,0.7,1.0,0.07985230621616064,0.3064217668425742,0.7626190802549517,0.8194863271879926,0.4920948701254198
EOS-2-12598,N#Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)cn4)n23)ccc1Cl,WEFPZBYASXYPBR-UHFFFAOYSA-N,2,1,0.478,16,401,458.844,3.886,5,0.364,0.66,1.0,0.8723271194571997,0.9357651977246247,0.8408608046055788,0.8374083339044617,0.8715903639229662
EOS-2-12599,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)ccc1F,GWYLWNXAXUSDHZ-UHFFFAOYSA-N,2,1,0.443,51,196,458.844,3.886,5,0.389,0.72,1.0,0.8803114933863341,0.890497566993352,0.7742101295319033,0.7912069083681722,0.8340565245699404
EOS-2-12600,N#Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)c1F,FQPIVOUBIBWWJT-UHFFFAOYSA-N,2,1,0.472,2,939,458.844,3.886,5,0.389,0.57,1.0,0.8931533136865191,0.8406808991844288,0.8614042903159482,0.8590740867658145,0.8635781474881776
EOS-2-12601,N#Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)cn5)c4)n23)ccc1Cl,ICMUKQAQIJUEQA-UHFFFAOYSA-N,2,1,0.494,16,879,458.844,3.886,5,0.389,0.66,1.0,0.9298625865259407,0.9528819135083271,0.8712990884791995,0.8606332670824481,0.9036692138989788
EOS-2-12602,Fc1ccc(-c2nocc2-c2nnc3cncc(-c4ncn(-c5ccc(Cl)cc5)n4)n23)cc1,PWYQKUPPJYALTI-UHFFFAOYSA-N,2,1,0.351,3,118,458.844,4.487,6,0.383,0.73,1.0,0.05014221095195669,0.21424165581522855,0.5751062298677266,0.7314183400726475,0.39272710917688985
EOS-2-12603,N#Cc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccc(F)cc1,PMHWSMLBIQPASC-UHFFFAOYSA-N,2,1,0.422,73,210,458.844,3.886,5,0.389,0.69,1.0,0.7597148927421012,0.8034404770063738,0.657057432663971,0.715492426838462,0.733926307312727
EOS-2-12604,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cn1,PHOBKBIBUOAOPR-UHFFFAOYSA-N,2,1,0.308,3,150,458.844,4.487,6,0.383,0.66,1.0,0.11926016037283257,0.3064303337673909,0.7697381947776026,0.8088033719416079,0.5010580152148585
EOS-2-12605,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)cnc1F,YJPWELQLFWNLET-UHFFFAOYSA-N,2,1,0.456,55,565,458.844,3.886,5,0.364,0.7,1.0,0.9061836063326708,0.9152474127887054,0.8538482626276471,0.8335275169625112,0.8772016996778835
EOS-2-12606,N#Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)nc2Cl)n1,ZJJUGODYNVJAKD-UHFFFAOYSA-N,2,1,0.406,44,122,458.844,3.886,5,0.364,0.57,0.984,0.7055633609759441,0.7569563429511342,0.6732146528682065,0.6934839969844425,0.7073045884449318
EOS-2-12607,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3cnn(-c4cccc(Cl)c4)c3)n12,NWEBBIJEDBZZGV-UHFFFAOYSA-N,2,1,0.329,3,673,458.844,4.487,6,0.383,0.7,1.0,0.06566547871975875,0.2913868137893222,0.7513535741210335,0.8133524090192584,0.4804395689123432
EOS-2-12608,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)ncc1Cl,ODMXWSVKZMSLCW-UHFFFAOYSA-N,2,1,0.353,42,150,458.844,4.487,6,0.383,0.75,1.0,0.09147762319237886,0.2805753546706874,0.7675022274004524,0.7981718182441231,0.48443175587691045
EOS-2-12609,Fc1cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)ccc1Cl,LEWAPEBJPASCOO-UHFFFAOYSA-N,2,1,0.321,3,289,458.844,4.487,6,0.383,0.8,0.996,0.1410544171064355,0.36474539099444864,0.7129737509423617,0.7799157014598039,0.49967231512576243
EOS-2-12610,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)c(F)c4)n23)cn1,CIDKDNLSNDYZMY-UHFFFAOYSA-N,2,1,0.558,72,214,458.844,3.886,5,0.389,0.72,1.0,0.9298711534507573,0.9048043314371873,0.8310602426153109,0.8233928449043931,0.8722821431019122
EOS-2-12611,Fc1ccc(-c2nocc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cc1,KRJIGBFUQQRPMK-UHFFFAOYSA-N,2,1,0.325,10,783,458.844,4.487,6,0.383,0.7,1.0,0.04704955109313961,0.17802926461517374,0.6300973202659174,0.7799242683846207,0.4087751010897128
EOS-2-12612,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cc1,QHEOTSGQHKQCRJ-UHFFFAOYSA-N,2,1,0.325,10,783,458.844,4.487,6,0.383,0.7,1.0,0.03983620039750531,0.16924816667808923,0.584435610993078,0.7421869645671989,0.38392673565896784
EOS-2-12613,Fc1cc(Cl)ccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)n1,XAMHPDPUJABPCI-UHFFFAOYSA-N,2,1,0.325,3,158,458.844,4.487,6,0.383,0.69,1.0,0.08890754574737852,0.3166935096977589,0.5518384620656569,0.7128795147693784,0.4175797580700432
EOS-2-12614,N#Cc1cc(-c2nnc3cncc(OCc4ncc(F)c(-c5cccnc5)n4)n23)ccc1Cl,VWSOQOWEVIUSDK-UHFFFAOYSA-N,2,1,0.467,73,335,458.844,3.886,5,0.389,0.68,1.0,0.8700568843807827,0.9496950174765266,0.7339884175176479,0.7654290315948187,0.8297923377424439
EOS-2-12615,N#Cc1ccc(F)c(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)n1,KYZSYHNVGJFFHZ-UHFFFAOYSA-N,2,1,0.473,24,912,458.844,3.886,5,0.364,0.7,1.0,0.8763450071962169,0.8508155712425468,0.7857155095606881,0.7819631964909876,0.8237098211226098
EOS-2-12616,Fc1cc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)ccc1-c1cc[nH]n1,NEPHZBUGAVEEQS-UHFFFAOYSA-N,2,1,0.318,3,990,458.848,3.617,6,0.429,0.7,1.0,0.0640034953053252,0.3261685285449935,0.46230553080666165,0.6293177301076006,0.3704488211911452
EOS-2-12617,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,VUXFCWJZORDCRH-UHFFFAOYSA-N,2,1,0.27,10,673,458.848,3.617,6,0.429,0.63,0.836,0.04275752175998904,0.25997190048660135,0.5718764992118429,0.6500239873894866,0.38115747721198
EOS-2-12618,Fc1c(Cl)cccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n1,ZAUSBDLCMXZHKZ-UHFFFAOYSA-N,2,1,0.292,3,973,458.848,3.617,6,0.429,0.64,1.0,0.077547803440477,0.3601278185182647,0.42969981495442394,0.5937564251936125,0.36528296552669454
EOS-2-12619,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cc1Cl,UZGDDMCHJFFQTR-UHFFFAOYSA-N,2,1,0.299,3,973,458.848,3.617,6,0.429,0.69,1.0,0.06969193338359263,0.34576965252552944,0.48326879583304777,0.6293262970324173,0.38201416969364677
EOS-2-12620,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)s2)c(F)c1F,UECWSNLPMXQLQS-UHFFFAOYSA-N,2,1,0.386,45,140,458.856,5.356,5,0.364,0.68,0.468,0.33059762867521075,0.6002758549790967,0.8553217736961141,0.9088222191762045,0.6737543691316565
EOS-2-12621,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(CF)c5)n34)c(F)c2)cn1,HNPPUFYBHPHKHV-UHFFFAOYSA-N,2,1,0.341,96,558,458.859,5.654,5,0.347,0.77,1.0,0.4563086834349942,0.7739788225618532,0.9795421835377973,0.9834744020286478,0.7983260228908231
EOS-2-12622,Clc1cc(COc2cncc3nnc(-c4cccc(-c5cc[nH]n5)c4)n23)nn1-c1ccoc1,KPSNSASOHDJWJS-UHFFFAOYSA-N,2,1,0.434,4,763,458.869,4.193,6,0.398,0.54,1.0,0.3793862655061339,0.43949181001987525,0.47283428140634637,0.4988091974504832,0.4476303885957097
EOS-2-12623,Cn1nncc1-c1cc(C#N)cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,VYELGWOUZNAANF-UHFFFAOYSA-N,2,1,0.458,20,279,458.873,2.523,5,0.376,0.57,1.0,0.515266260023302,0.5426461517373724,0.32633986704132684,0.36098451099993145,0.4363091974504832
EOS-2-12624,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cnc(C#N)nc1,HGSFCFFUDKFZKA-UHFFFAOYSA-N,2,1,0.443,65,569,458.873,2.523,5,0.376,0.67,0.996,0.4903193749571654,0.4077342197244877,0.24967445685696663,0.2733620039750531,0.3552725138784182
EOS-2-12625,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cnc(C#N)nc1,SWDWANWPIQUGPD-UHFFFAOYSA-N,2,1,0.443,31,569,458.873,2.523,5,0.352,0.67,1.0,0.49032794188198203,0.3982677678020698,0.26382701665410185,0.27056061956000277,0.3557458364745391
EOS-2-12626,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nc(C#N)c(Cl)n5C)nc4)n23)ncn1,ADORMMNOAARDRU-UHFFFAOYSA-N,2,1,0.436,7,185,458.873,2.789,5,0.389,0.57,0.996,0.4951853882530327,0.6283839353025837,0.17360873140977315,0.1696593790692893,0.3667093585086697
EOS-2-12627,Fc1cc(-c2ccc(-c3nnc4cncc(OC5Cc6ccccc6C5)n34)cn2)cnc1Cl,QZANGTVTMPJZNM-UHFFFAOYSA-N,2,1,0.442,84,56,458.884,4.587,6,0.367,0.73,0.981,0.8360890274826948,0.917037900075389,0.8740233705708998,0.8914227948735521,0.879643273250634
EOS-2-12628,Clc1ccnc(-c2nnc(-c3cncc4nnc(-c5ocnc5-c5ccccc5)n34)s2)c1,WQGKDGYWWGIONN-UHFFFAOYSA-N,2,1,0.333,30,541,458.894,4.68,6,0.374,0.61,0.994,0.13840723733808513,0.22961928586114727,0.1451751079432527,0.3102340483859914,0.20585891988211913
EOS-2-12629,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nccs6)nc5)n34)o2)c1,YTFJMRGDSMKADZ-UHFFFAOYSA-N,2,1,0.367,32,541,458.894,4.68,6,0.374,0.73,0.999,0.14106298403125214,0.3887242135563018,0.27106606812418615,0.3900263861284353,0.29771991296004385
EOS-2-12630,Clc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)cn1,NFHTYNLGYARAOD-UHFFFAOYSA-N,2,1,0.321,38,983,458.894,4.68,6,0.35,0.78,1.0,0.29739222808580634,0.4171835377972723,0.3155027071482421,0.404915701459804,0.3587485436227812
EOS-2-12631,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)c(-c2cscn2)c1,NXERSJUMOOJJPK-UHFFFAOYSA-N,2,1,0.329,32,572,458.894,4.68,6,0.374,0.65,1.0,0.25663936673291754,0.44837571105475976,0.4695360153519293,0.5558906175039408,0.43261042766088686
EOS-2-12632,Clc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)cn2)o1,IRHSQPYVPQNYFY-UHFFFAOYSA-N,2,1,0.316,76,272,458.894,4.68,6,0.374,0.63,1.0,0.17986258652594064,0.33083750257007744,0.24968302378178328,0.3285672674936605,0.2722375950928655
EOS-2-12633,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)o2)c1,FTUXSVNKXNZGNJ-UHFFFAOYSA-N,2,1,0.395,3,641,458.894,4.68,6,0.374,0.74,1.0,0.16610410527037214,0.43049653896237405,0.352434720032897,0.4805959152902474,0.35740781988897263
EOS-2-12634,Clc1cnc(-c2cnc(-c3cncc4nnc(-c5conc5-c5ccccc5)n34)s2)cn1,BEJXYYWOUVKUFI-UHFFFAOYSA-N,2,1,0.36,32,321,458.894,4.68,6,0.374,0.54,0.993,0.1410715509560688,0.20445822767459393,0.22802583784524708,0.3609930779247481,0.23363717360016448
EOS-2-12635,Clc1cc(-c2cncc3nnc(-c4cnc(-c5cncnc5)s4)n23)ccc1-c1cnco1,LNLIUWUDZRJCFV-UHFFFAOYSA-N,2,1,0.305,42,106,458.894,4.68,6,0.374,0.66,1.0,0.2566479336577342,0.36979987663628267,0.472842848331163,0.5655198409978754,0.4162026249057638
EOS-2-12636,Clc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4Cl)n23)c(Cl)c1,YGJJPEFTIAQFQA-UHFFFAOYSA-N,2,1,0.577,23,255,441.105,5.379,4,0.426,0.76,1.0,0.8453070385854293,0.9207131108217395,0.9717205811801796,0.9920156260708656,0.9324390891645535
EOS-2-12637,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1ccnnc1,DBBWIBGLLGYDPD-UHFFFAOYSA-N,2,1,0.679,91,955,458.909,4.532,5,0.354,0.68,1.0,0.8287557398396271,0.8772359673771503,0.7897333972997053,0.7445771365910493,0.810075560276883
EOS-2-12638,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccccn1,SNRAQHASWJFQPU-UHFFFAOYSA-N,2,1,0.56,11,777,458.909,4.532,5,0.354,0.68,1.0,0.9165238845863889,0.8188266739771092,0.6245202522102666,0.5719707353848262,0.7329603865396477
EOS-2-12639,COc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,WSDKDURAAJKFNK-UHFFFAOYSA-N,2,1,0.573,91,215,458.909,4.532,5,0.354,0.74,1.0,0.912420327599205,0.9110753204029881,0.7857240764855048,0.7232968953464465,0.833129154958536
EOS-2-12640,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cnccn1,WIJUELLNPQEWTH-UHFFFAOYSA-N,2,1,0.679,11,313,458.909,4.532,5,0.354,0.76,1.0,0.8821105475978342,0.8266311424850935,0.7313155369748475,0.6819529161812076,0.7805025358097457
EOS-2-12641,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccccn1,GFZPLGYECSIORY-UHFFFAOYSA-N,2,1,0.526,35,777,458.909,4.532,5,0.354,0.74,1.0,0.9046244260160373,0.8151000616818587,0.6761873757795902,0.6236464258789665,0.7548895723391131
EOS-2-12642,COc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)ccc1Cl,WKRFCDUYIDHTNB-UHFFFAOYSA-N,2,1,0.56,11,275,458.909,4.532,5,0.354,0.78,1.0,0.8310688095401275,0.8406894661092454,0.659764580906038,0.6088513467205812,0.7350935508189981
EOS-2-12643,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1-c1ccccn1,NRYLUEQTJCLNCQ-UHFFFAOYSA-N,2,1,0.533,49,703,458.909,4.532,5,0.354,0.78,1.0,0.7969724487697896,0.6722123226646562,0.5212973750942361,0.5026129120690837,0.6232737646494415
EOS-2-12644,CCOc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1,UZPDUVKPRZMKKW-UHFFFAOYSA-N,2,1,0.512,97,91,458.909,4.879,5,0.343,0.71,1.0,0.8287643067644438,0.8073898293468577,0.694991775752176,0.6293348639572339,0.7401201939551778
EOS-2-12645,COc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,MBQLUBGNQQWALU-UHFFFAOYSA-N,2,1,0.533,11,56,458.909,4.532,5,0.354,0.81,1.0,0.8677952162291823,0.8657134534987321,0.6484048385991364,0.5875882393256117,0.7423754369131657
EOS-2-12646,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1ccccn1,BNEQUFIGLOXAQL-UHFFFAOYSA-N,2,1,0.583,49,703,458.909,4.532,5,0.354,0.81,1.0,0.8262284970187102,0.7066856281269276,0.5383284216297718,0.512739017202385,0.6459953909944487
EOS-2-12647,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnn(C6COC6)c5)c4)n23)cc1,JJCJUNVKKKBAIZ-UHFFFAOYSA-N,2,1,0.602,43,322,458.909,4.459,6,0.374,0.75,1.0,0.5760228908231101,0.7160064423274621,0.686870331025975,0.7370125419779316,0.6789780515386197
EOS-2-12648,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)cc1=O,CAHJSOWTIDUZTR-UHFFFAOYSA-N,2,1,0.675,91,660,458.909,3.827,5,0.384,0.77,1.0,0.5541258309917072,0.6002844219039134,0.6484134055239531,0.6727777397025564,0.6189003495305325
EOS-2-12649,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ccccn1,ANCKGGOVYCALMC-UHFFFAOYSA-N,2,1,0.543,11,777,458.909,4.532,5,0.354,0.71,1.0,0.8983363032006031,0.8188352409019258,0.630105887190734,0.5845983825645946,0.7329689534644643
EOS-2-12650,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ccccc1,FIEZJZWQSDIYCZ-UHFFFAOYSA-N,2,1,0.5,1,955,458.909,4.532,5,0.354,0.73,1.0,0.8104567884312247,0.8073983962716743,0.5718850661366596,0.5688523747515591,0.6896481563977794
EOS-2-12651,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cc1=O,GHESTTISAFWNSC-UHFFFAOYSA-N,2,1,0.663,91,660,458.909,3.827,5,0.384,0.74,1.0,0.5079501062298677,0.5567473099856076,0.6330786101021177,0.6670550339250223,0.5912077650606538
EOS-2-12652,COc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)cn1,ZXQQVNMCFWOEKH-UHFFFAOYSA-N,2,1,0.541,11,384,458.909,4.532,5,0.354,0.87,1.0,0.8027037214721403,0.8440734014118292,0.662574532245905,0.6209050099376328,0.7325641662668767
EOS-2-12653,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cc1=O,MTFXVFUYQBMKSZ-UHFFFAOYSA-N,2,1,0.663,91,660,458.909,3.827,5,0.384,0.75,1.0,0.5935593859228291,0.5659910218627922,0.6216331985470496,0.6441470769652525,0.6063326708244808
EOS-2-12654,COc1cccc(Cl)c1COc1cncc2nnc(-c3cc(C)nc(-c4ccncc4)c3)n12,GAYBCZVEXNMVAX-UHFFFAOYSA-N,2,1,0.473,97,183,458.909,4.798,5,0.361,0.66,1.0,0.6049790967034473,0.5659995887876088,0.7388715646631485,0.6555410869714208,0.6413478342814064
EOS-2-12655,Cn1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(-c2ccc(Cl)cc2)c1=O,YSARYJUTLKXIAG-UHFFFAOYSA-N,2,1,0.598,35,393,458.909,3.827,5,0.384,0.73,1.0,0.47041840860804607,0.4483842779795765,0.6362055376602015,0.669950654513056,0.55623971969022
EOS-2-12656,CCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccncn1,XJJPBQRITFLMGH-UHFFFAOYSA-N,2,1,0.439,18,578,458.913,3.876,5,0.338,0.69,0.999,0.6536563635117538,0.662446028373655,0.289844767322322,0.2942995682269892,0.47506168185868003
EOS-2-12657,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)c(C)n1,RVQIEJYUMUUMFL-UHFFFAOYSA-N,2,1,0.516,65,578,458.913,3.93,5,0.352,0.72,1.0,0.7629017887739017,0.8406980330340621,0.3599050784730313,0.3132067712973751,0.5691779178945926
EOS-2-12658,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccn1,DQBDJDWEEOBQGW-UHFFFAOYSA-N,2,1,0.441,75,441,458.913,4.142,5,0.349,0.6,1.0,0.502835652114317,0.5660081557124255,0.330075046261394,0.29742649578507296,0.4240863374683024
EOS-2-12659,CCc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,VHTXZZJAFFWIBX-UHFFFAOYSA-N,2,1,0.468,55,879,458.913,4.142,5,0.374,0.72,1.0,0.604987663628264,0.6575885820026044,0.3115876225070249,0.2912154752929888,0.46634483585772046
EOS-2-12660,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc(C)n2)ccn1,ASTWZPCDGCUOEK-UHFFFAOYSA-N,2,1,0.423,18,531,458.913,3.93,5,0.352,0.71,1.0,0.6389126859022686,0.5567558769104243,0.35244328695771365,0.3191693509697759,0.4668203001850456
EOS-2-12661,CCc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cn1,UCRRZBAGBOQURR-UHFFFAOYSA-N,2,1,0.489,7,567,458.913,4.142,5,0.374,0.71,1.0,0.5707199643615928,0.7066941950517442,0.267639298197519,0.2526129120690837,0.44941659241998494
EOS-2-12662,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)c(C)n1,PEFAFDMKHZVSIL-UHFFFAOYSA-N,2,1,0.511,87,579,458.913,3.93,5,0.377,0.7,1.0,0.7538722500171339,0.8266397094099103,0.2933486395723391,0.26787060516756905,0.5354328010417381
EOS-2-12663,CCc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cnccn1,KQKQAHHPPLAJTI-UHFFFAOYSA-N,2,1,0.453,18,367,458.913,3.876,5,0.362,0.59,0.789,0.6244345829621,0.6918477143444589,0.21727434720032898,0.25262147899390036,0.446544530875197
EOS-2-12664,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)c(C)n1,LEOZXBAMJFVHOM-UHFFFAOYSA-N,2,1,0.5,75,454,458.913,3.93,5,0.377,0.68,1.0,0.745099719004866,0.7160150092522788,0.3524518538825303,0.322313412377493,0.5339699986292921
EOS-2-12665,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)nc1C,DWMMFKCBVUPRQP-UHFFFAOYSA-N,2,1,0.505,87,304,458.913,3.93,5,0.377,0.62,1.0,0.7023250633952437,0.8034490439311904,0.23529915701459803,0.23809197450483174,0.494791309711466
EOS-2-12666,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)c(C)n1,UWFYUWNRSNJVGC-UHFFFAOYSA-N,2,1,0.505,75,454,458.913,3.93,5,0.377,0.63,1.0,0.7239993831814132,0.7113803029264615,0.3044513741347406,0.2853642656432047,0.5062988314714549
EOS-2-12667,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccn1,KKLCIWRQSLUPDK-UHFFFAOYSA-N,2,1,0.522,75,567,458.913,4.142,5,0.374,0.65,1.0,0.49519395517784937,0.595521211705846,0.2752552943595367,0.2617880885477349,0.40693963744774175
EOS-2-12668,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)c(C)n1,ACWWNWWAZAGYSX-UHFFFAOYSA-N,2,1,0.517,75,454,458.913,3.93,5,0.352,0.65,1.0,0.7240079501062299,0.7204869440065794,0.3561527654033308,0.31024261531080805,0.5277225687067371
EOS-2-12669,CCc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cncc(C)n1,LKRATFOIXLLSTO-UHFFFAOYSA-N,2,1,0.381,46,690,458.913,4.142,5,0.349,0.62,0.983,0.5053543280104174,0.5289819066547872,0.28985333424713866,0.27647179768350355,0.40016534164896167
EOS-2-12670,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc(C)n2)cn1,GZZWIZLONSNHJE-UHFFFAOYSA-N,2,1,0.458,18,531,458.913,3.93,5,0.377,0.67,1.0,0.5760314577479269,0.5756031115070934,0.2862466588993215,0.28247721197998765,0.43008961003358237
EOS-2-12671,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)c(C)n1,PQBZYFBYVMZCSZ-UHFFFAOYSA-N,2,1,0.517,75,454,458.913,3.93,5,0.352,0.67,1.0,0.7511051333013501,0.7204955109313961,0.36731546843944896,0.32232197930230966,0.5403095229936262
EOS-2-12672,CCc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ccncn1,RTUCPYANQVLANY-UHFFFAOYSA-N,2,1,0.443,31,690,458.913,3.876,5,0.362,0.63,0.67,0.6536649304365705,0.6819529161812076,0.2353077239394147,0.2617966554725516,0.45818055650743617
EOS-2-12673,CCc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cn1,DRGFDPPBRFYOIW-UHFFFAOYSA-N,2,1,0.432,55,567,458.913,4.142,5,0.349,0.75,1.0,0.5875111370022617,0.6869560002741416,0.3227417586183264,0.2912240422178055,0.4721082345281338
EOS-2-12674,Cc1ncc(-c2cc(-c3nnc4cncc(OCCCc5cccc(Cl)n5)n34)ccn2)cn1,DSFNWRKJGWSRJP-UHFFFAOYSA-N,2,1,0.433,75,441,458.913,4.012,5,0.266,0.72,1.0,0.7055719279007607,0.7250788157083133,0.2638355835789185,0.2764803646083202,0.4927416729490782
EOS-2-12675,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)nc1C,DGVDOHRMUYODRI-UHFFFAOYSA-N,2,1,0.522,75,819,458.913,3.93,5,0.377,0.61,1.0,0.6505894044273868,0.6478565554108697,0.24252107463504902,0.24656466314851622,0.4468829244054554
EOS-2-12676,Cc1nnc(-c2ccc(F)c(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)s1,LBXXXFJWUGTRHU-UHFFFAOYSA-N,2,1,0.477,4,554,458.931,5.051,5,0.366,0.72,1.0,0.663062846960455,0.8151086286066753,0.5003426769926667,0.5688609416763758,0.6368437735590432
EOS-2-12677,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)s2)cs1,BUQGZYZKEWWWMF-UHFFFAOYSA-N,2,1,0.411,46,564,458.931,5.051,5,0.366,0.71,1.0,0.6328901377561511,0.48780069906106505,0.5582465218285244,0.5815656911794942,0.5651257624563086
EOS-2-12678,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2F)s1,KQWLNMBICOQMQS-UHFFFAOYSA-N,2,1,0.536,4,554,458.931,5.051,5,0.366,0.71,1.0,0.7420670276197656,0.8304262901788774,0.5075217599890344,0.5688695086011926,0.6622211465972175
EOS-2-12679,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)s4)n23)ccc1-c1cncs1,DUPYACUWRUKUNV-UHFFFAOYSA-N,2,1,0.6,35,919,458.931,4.785,5,0.364,0.7,1.0,0.865739154273182,0.8850918374340346,0.5383369885545884,0.6057158522376808,0.7237209581248715
EOS-2-12680,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1nccs1,RASBSOKWSMJLRL-UHFFFAOYSA-N,2,1,0.473,58,814,458.931,4.785,5,0.34,0.57,0.989,0.7885254609005551,0.8034576108560071,0.3862483722842848,0.46534678911657873,0.6108945582893565
EOS-2-12681,Clc1cc(-c2ccccc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,AOEZMMWGDVFGLZ-UHFFFAOYSA-N,2,1,0.443,21,452,458.952,7.446,6,0.275,0.84,1.0,0.3130697005003084,0.5475207319580563,0.958193406894661,0.9769292714687136,0.6989282777054348
EOS-2-12682,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)s1,WDUCCQIMAHTXDK-UHFFFAOYSA-N,2,1,0.542,4,43,440.941,4.912,5,0.386,0.7,1.0,0.5234219724487698,0.6193543965458159,0.3935816599273525,0.40492426838462064,0.48532057432663966
EOS-2-12683,Clc1ncsc1CCOc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,ZYHMZDPGJRRTHH-UHFFFAOYSA-N,2,1,0.579,75,496,440.941,4.646,5,0.382,0.72,1.0,0.6536734973613871,0.7067027619765609,0.2898619011719553,0.3865053800287849,0.5091858851346721
EOS-2-12684,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)s1,GSYPXJVDRGOMQS-UHFFFAOYSA-N,2,1,0.518,72,506,440.941,4.912,5,0.386,0.68,1.0,0.5789185114111438,0.6529624426016037,0.3263484339661435,0.37721883352751695,0.483862055376602
EOS-2-12685,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)ns1,VKFIAMBVNPEYMK-UHFFFAOYSA-N,2,1,0.543,4,921,440.941,4.912,5,0.386,0.68,1.0,0.4928123500788157,0.5955297786306627,0.31159618943184153,0.3641971078061819,0.44103385648687543
EOS-2-12686,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)cs1,VSXXSPLNNCGQNO-UHFFFAOYSA-N,2,1,0.488,24,786,440.941,4.912,5,0.386,0.77,1.0,0.5620331025974916,0.7205040778562127,0.3712219861558495,0.38651394695360153,0.5100682783907888
EOS-2-12687,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cs1,BIPKBERGBQRVPZ-UHFFFAOYSA-N,2,1,0.477,4,464,440.941,4.912,5,0.386,0.66,1.0,0.495202522102666,0.6002929888287301,0.4372986772668083,0.4465595229936262,0.4948384277979576
EOS-2-12688,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)s1,SXWNXDJDJWKSON-UHFFFAOYSA-N,2,1,0.506,87,173,440.941,4.646,5,0.382,0.76,1.0,0.6753992186964567,0.7205126447810294,0.3487509423617298,0.40841100678500447,0.5382684531560551
EOS-2-12689,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)s1,GQDGLVPAILYRAG-UHFFFAOYSA-N,2,1,0.506,2,419,440.941,4.912,5,0.386,0.73,1.0,0.5028442190391337,0.5955383455554794,0.45546055787814405,0.45922143787266123,0.5032661400863546
EOS-2-12690,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)cs1,JRTRIBCVDGWASY-UHFFFAOYSA-N,2,1,0.537,24,486,440.941,4.912,5,0.386,0.69,1.0,0.5564731683914742,0.6283925022274005,0.3790178877390172,0.39581762730450276,0.4899252964155987
EOS-2-12691,Cc1sccc1-c1nnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)s1,MRSQLBPAZGEDFJ-UHFFFAOYSA-N,2,1,0.57,4,534,440.941,4.912,5,0.386,0.74,1.0,0.7085874854362278,0.8539424988006306,0.22803440477006373,0.34146048934274553,0.5330062195874169
EOS-2-12692,Cc1csc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)sn2)c1,AVYCWCXEXRLUFW-UHFFFAOYSA-N,2,1,0.494,55,283,440.941,4.912,5,0.361,0.63,0.999,0.5649801247344254,0.657597148927421,0.36732403536426567,0.41485333424713866,0.5011886608183127
EOS-2-12693,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)s1,JZRSBSGGLYFQFE-UHFFFAOYSA-N,2,1,0.566,75,583,440.941,4.646,5,0.382,0.69,1.0,0.7388629977383319,0.769703927078336,0.30445994105955726,0.3610016448495648,0.5435071276814475
EOS-2-12694,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cc1,MOAGFTVAWKGEBP-UHFFFAOYSA-N,2,1,0.833,79,497,440.934,6.042,5,0.323,0.87,1.0,0.984579535329998,0.9922469330409156,0.9232746213419231,0.9261274073058735,0.9565571242546775
EOS-2-12695,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)nn1C,LZXDCWZVKUFQDV-UHFFFAOYSA-N,2,1,0.421,31,569,440.92,3.262,5,0.402,0.64,0.997,0.3495305325200466,0.3013073127270235,0.13607703378795147,0.16424508258515524,0.2377899904050442
EOS-2-12696,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nn2C)cn1,QBTVZSDLYIGGFP-UHFFFAOYSA-N,2,1,0.441,31,569,440.92,3.262,5,0.402,0.68,1.0,0.3203944212185594,0.26516345692550203,0.16703790007538893,0.18601363854430814,0.2346523541909396
EOS-2-12697,Cc1ccc(-c2nnc3cncc(-c4cccc(NC(=O)c5ccc(Cl)cc5)c4)n23)cn1,MPAWJEHHGPFPTO-UHFFFAOYSA-N,2,1,0.432,62,504,440.894,5.067,5,0.422,0.92,1.0,0.08417003632376122,0.19522308272222602,0.7363785895414982,0.7042868891782605,0.43001464944143647
EOS-2-12698,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2F)n1,WKWRINOJPZXHNJ-UHFFFAOYSA-N,2,1,0.536,4,554,440.891,4.625,5,0.398,0.7,1.0,0.6476509492152697,0.7481238434651497,0.7603317113289014,0.762764717976835,0.729717805496539
EOS-2-12699,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccc2F)cn1,JLXBXEMCGFSIRX-UHFFFAOYSA-N,2,1,0.524,4,394,440.891,4.625,5,0.398,0.69,1.0,0.5875197039270783,0.7481324103899664,0.8164964704269755,0.8155369748475088,0.7419213898978823
EOS-2-12700,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cc[nH]n1,WKPIZZHRISHXSS-UHFFFAOYSA-N,2,1,0.495,37,639,440.891,4.657,5,0.415,0.64,1.0,0.9486070180248098,0.9170464670002056,0.7339969844424645,0.7799328353094374,0.8448958261942293
EOS-2-12701,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1F,YVQGQISLIFIFRW-UHFFFAOYSA-N,2,1,0.536,4,554,440.891,4.625,5,0.398,0.72,1.0,0.7567935713796176,0.7525443766705503,0.7960986224384895,0.7936484819409225,0.774771263107395
EOS-2-12702,Cn1c(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ccc2F)cnc1Cl,XSYYVDWPXHGINL-UHFFFAOYSA-N,2,1,0.53,16,256,440.891,4.625,5,0.398,0.72,1.0,0.8130954012747584,0.7296449866355973,0.7790590089781372,0.7774055924885204,0.7748012473442533
EOS-2-12703,Cn1nc(-c2nnc3cncc(OCc4ccc(F)s4)n23)cc1-c1ccc(Cl)cc1,LOIZOMGCCUDNRO-UHFFFAOYSA-N,2,1,0.466,95,965,440.891,4.625,5,0.398,0.62,1.0,0.4781543417174971,0.5808632033445275,0.6570659995887876,0.7233054622712631,0.6098472517305189
EOS-2-12704,Cn1nc(-c2ccsc2)cc1COc1cncc2nnc(-c3cc(F)ccc3Cl)n12,CNQXTYYFAQLYFW-UHFFFAOYSA-N,2,1,0.488,4,10,440.891,4.625,5,0.398,0.75,1.0,0.5103831128778014,0.6332499485984511,0.6815331368651909,0.7285569871838805,0.6384307963813309
EOS-2-12705,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)s2)cn1,SLVQGUIAQUJEHB-UHFFFAOYSA-N,2,1,0.582,46,294,440.891,4.625,5,0.398,0.79,1.0,0.510391679802618,0.40774278664930436,0.8044942087588239,0.8046141457062573,0.6318107052292509
EOS-2-12706,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)s5)n34)nn2C)nn1,NYXFUESNNLNVEZ-UHFFFAOYSA-N,2,1,0.409,53,105,440.88,2.374,5,0.405,0.64,1.0,0.26225926941265165,0.2705092180111027,0.02571790829963676,0.03069529161812076,0.14729542183537797
EOS-2-12707,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)c1,VMDNZDOHTRQWKS-UHFFFAOYSA-N,2,1,0.448,92,779,440.88,2.108,5,0.39,0.64,1.0,0.32796758275649374,0.4260074703584401,0.021494414365019532,0.04569597697210609,0.20529136111301488
EOS-2-12708,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)ncn1,CKEPSJHFWJTJIK-UHFFFAOYSA-N,2,1,0.387,31,194,440.88,2.108,5,0.39,0.66,1.0,0.302480981426907,0.2756493729011034,0.00997190048660133,0.01712528270851895,0.15130688438078269
EOS-2-12709,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)ncn1,ZZNFSNAULIFDKS-UHFFFAOYSA-N,2,1,0.379,31,296,440.88,2.108,5,0.39,0.66,0.986,0.30762970324172434,0.28604961962853814,0.01721095195668563,0.0317490233705709,0.16065982454937977
EOS-2-12710,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)ncn2)c1,RDPGDBQCGFBHIY-UHFFFAOYSA-N,2,1,0.394,31,296,440.88,2.108,5,0.39,0.64,0.885,0.32532896991296006,0.3457782194503461,0.01567747241450209,0.027971009526420395,0.17868891782605717
EOS-2-12711,N=c1[nH]nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)o1,VGEQEWNNKMIESQ-UHFFFAOYSA-N,2,1,0.5,58,819,440.876,2.985,5,0.415,0.59,0.992,0.6416369679939689,0.5334367075594545,0.16704646700020562,0.1807535467068741,0.38071842231512576
EOS-2-12712,N=c1[nH]nc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)o1,KXXPGYBCKBYGSK-UHFFFAOYSA-N,2,1,0.419,18,181,440.876,2.985,5,0.415,0.5,1.0,0.4286375162771571,0.3013158796518402,0.19649098759509287,0.2086988554588445,0.2837858097457337
EOS-2-12713,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5scnc5Cl)n34)cn2)no1,GSYMTGJCTZFROV-UHFFFAOYSA-N,2,1,0.533,65,981,440.876,3.276,5,0.392,0.68,1.0,0.5541343979165239,0.6771126036597903,0.04205503392502227,0.06567404564457542,0.334744020286478
EOS-2-12714,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)s5)n34)cn2)no1,JSJYFGCBCDRNGN-UHFFFAOYSA-N,2,1,0.527,65,981,440.876,3.276,5,0.392,0.72,1.0,0.5491655815228565,0.6672777739702557,0.050373517922006714,0.06568261256939209,0.33312487149612774
EOS-2-12715,Cc1coc(-c2ccc(-c3nnc4cncc(OCc5nc(C)ns5)n34)c(Cl)n2)n1,KJHXIMBYDXFHQX-UHFFFAOYSA-N,2,1,0.443,7,567,440.876,3.542,5,0.378,0.62,1.0,0.4101329586731547,0.4831574258104311,0.032477211979987666,0.038054280035638405,0.24095546912480295
EOS-2-12716,COc1cc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)ccc1-c1ncon1,YEHJVHLGMBQHCC-UHFFFAOYSA-N,2,1,0.5,16,375,440.872,4.144,5,0.388,0.66,1.0,0.7829226920704544,0.642536495099719,0.5247070111712699,0.4465680899184429,0.5991835720649715
EOS-2-12717,COc1cc(-c2nnc3cncc(OCc4cc(-c5cscn5)on4)n23)ccc1Cl,SWSBVLVGTJCPLG-UHFFFAOYSA-N,2,1,0.547,4,67,440.872,4.144,5,0.388,0.67,1.0,0.587528270851895,0.6869645671989583,0.4867726680830649,0.43701596874785825,0.5495703687204441
EOS-2-12718,Cn1c(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)coc1=O,GVGSHLUANFESEY-UHFFFAOYSA-N,2,1,0.512,24,486,440.872,3.439,5,0.412,0.58,0.999,0.4422417928860256,0.44383524090192583,0.30057912411760673,0.3163165650058255,0.3757431807278459
EOS-2-12719,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cocn1,RVPDGDIUDJZUIR-UHFFFAOYSA-N,2,1,0.461,49,122,440.872,4.144,5,0.388,0.51,1.0,0.5541429648413405,0.5660167226372421,0.3339901309026112,0.29123260914262217,0.43634560688095403
EOS-2-12720,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1nnco1,IDWUZHJUGUEBFN-UHFFFAOYSA-N,2,1,0.489,72,224,440.872,4.144,5,0.388,0.68,1.0,0.7085960523610445,0.6918562812692756,0.49676170241929957,0.4243968884929066,0.5804027311356316
EOS-2-12721,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc4[nH]cc(Cl)c4c3)n12,VWMMUSNWNKJCEW-UHFFFAOYSA-N,2,1,0.314,83,558,440.869,5.794,6,0.378,0.72,1.0,0.37709032965526695,0.5909122061544788,0.9394661092454253,0.9641988211911452,0.717916866561579
EOS-2-12722,FC(F)c1ccc(-c2nnc3cncc(-c4csc(-c5ccc(Cl)nc5)n4)n23)cc1,PAHOYSQPLYECQG-UHFFFAOYSA-N,2,1,0.382,96,140,440.866,5.568,5,0.342,0.68,1.0,0.22714344458913027,0.5104430813515181,0.9136111301487219,0.9261359742306902,0.6443334075800151
EOS-2-12723,FC(F)c1ccc(-c2nnc3cncc(-c4csc(-c5ccnc(Cl)c5)n4)n23)cc1,RLGUPXXGVQOZNX-UHFFFAOYSA-N,2,1,0.367,96,140,440.866,5.568,5,0.342,0.69,1.0,0.21586937153039545,0.4922812007401823,0.9175690494140224,0.9280549653896237,0.6384436467685559
EOS-2-12724,FC(F)c1cccc(-c2nnc(-c3cncc4nnc(-c5ccccc5Cl)n34)s2)c1,LHENVYNDOJGHBB-UHFFFAOYSA-N,2,1,0.413,96,574,440.866,5.568,5,0.365,0.69,1.0,0.13595709684051813,0.4878092659858817,0.8582173942841478,0.9144763895552053,0.5991150366664382
EOS-2-12725,Clc1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(-c6cc[nH]n6)cc5)n4)n23)cc1,NGRXVEXAFAAUCI-UHFFFAOYSA-N,2,1,0.37,3,158,440.858,3.478,6,0.446,0.72,1.0,0.06763587142759235,0.35535604139538074,0.30789527791104104,0.46233123158111167,0.29830460557878147
EOS-2-12726,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)n2)cc1,ZQXSHVHEADKKMO-UHFFFAOYSA-N,2,1,0.337,3,973,440.858,3.478,6,0.446,0.71,0.974,0.055042491947090676,0.2192104722088959,0.28272565279967105,0.4307364128572408,0.24692875745322462
EOS-2-12727,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1,MWRAPMQEADSXSD-UHFFFAOYSA-N,2,1,0.346,3,7,440.858,3.478,6,0.446,0.63,1.0,0.0427660886848057,0.20446679459941058,0.3673326022890823,0.4716263450071962,0.2715479576451237
EOS-2-12728,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cn2)cc1,CROUUZLDJAITSL-UHFFFAOYSA-N,2,1,0.35,3,150,440.858,3.478,6,0.446,0.78,1.0,0.03984476732232198,0.20447536152422727,0.5109228291412514,0.6057244191624974,0.34024184428757454
EOS-2-12729,N#Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)ccc1Cl,BIFCIIIFKJITLK-UHFFFAOYSA-N,2,1,0.529,16,401,440.854,3.747,5,0.406,0.77,1.0,0.759723459666918,0.9091734630936879,0.7260554451374135,0.7285655541086972,0.7808794805016792
EOS-2-12730,N#Cc1cncc(COc2cncc3nnc(-c4cccnc4-c4ccc(Cl)cn4)n23)c1,IOWLDRSTORIVOS-UHFFFAOYSA-N,2,1,0.466,55,879,440.854,3.747,5,0.406,0.7,1.0,0.7481324103899664,0.7992255499965732,0.6484219724487698,0.6788688232472072,0.7186621890206292
EOS-2-12731,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ccn2)c1,DTPBAWDAKYTWCA-UHFFFAOYSA-N,2,1,0.478,24,183,440.854,3.747,5,0.379,0.69,1.0,0.6300716194914674,0.729653553560414,0.6815417037900076,0.6819614831060242,0.6808070899869784
EOS-2-12732,N#Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)c5)cn4)n23)cc1,QDKJMSNGXJGFHR-UHFFFAOYSA-N,2,1,0.511,16,731,440.854,3.747,5,0.406,0.68,1.0,0.8477571790829964,0.8978394215612364,0.718173874306079,0.7370211089027483,0.8001978959632652
EOS-2-12733,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)nn2)c1,XEUZZLZDAMXCOY-UHFFFAOYSA-N,2,1,0.327,10,37,440.854,4.347,6,0.401,0.7,0.991,0.010228908231101364,0.1117469673086149,0.5003512439174834,0.6236549928037831,0.3114955280652457
EOS-2-12734,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)c1,KCEKLKWAYUJPRA-UHFFFAOYSA-N,2,1,0.329,3,783,440.854,4.347,6,0.401,0.78,1.0,0.05696148310602426,0.1952316496470427,0.6005585634980467,0.6934925639092592,0.38656106504009324
EOS-2-12735,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)nn1,SEPAVFXXOHFHTO-UHFFFAOYSA-N,2,1,0.59,43,389,440.854,3.747,5,0.406,0.8,1.0,0.9342831197313413,0.9663405523953121,0.6787831539990405,0.7070968405181276,0.8216259166609553
EOS-2-12736,N#Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nn1,ISWHRCTYCCJCAP-UHFFFAOYSA-N,2,1,0.535,81,268,440.854,3.747,5,0.406,0.68,0.999,0.7857754780344047,0.9485813172503598,0.5972774312932629,0.6383301350147351,0.7424910903981907
EOS-2-12737,N#Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5)c4)n23)n1,OCOYBNFWEIEFQC-UHFFFAOYSA-N,2,1,0.506,4,183,440.854,3.747,5,0.406,0.71,1.0,0.7388715646631485,0.8339130285792612,0.6096994722774313,0.6354944829004181,0.7044946371050649
EOS-2-12738,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cn1,JGZMSRQZVZQMEP-UHFFFAOYSA-N,2,1,0.605,72,613,440.854,3.747,5,0.406,0.72,1.0,0.8783839353025837,0.8407065999588788,0.7181824412308958,0.6960883421287095,0.7833403296552669
EOS-2-12739,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(Cl)c5)n4)n23)cc1,FVEFQQXQMZPXGB-UHFFFAOYSA-N,2,1,0.489,89,731,440.854,3.747,5,0.379,0.77,1.0,0.852383318483997,0.8799174148447674,0.7181910081557125,0.7314269069974642,0.7954796621204853
EOS-2-12740,N#Cc1ccncc1-c1ccc(-c2nnc3cncc(OCc4ncccc4Cl)n23)cn1,OQBDDYPPBXHXDT-UHFFFAOYSA-N,2,1,0.473,55,879,440.854,3.747,5,0.406,0.73,1.0,0.6692138989788226,0.815117195531492,0.6815502707148242,0.7016482763347269,0.7168824103899665
EOS-2-12741,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)cn1,CBPMZDTVWZOIDC-UHFFFAOYSA-N,2,1,0.523,55,879,440.854,3.747,5,0.379,0.8,1.0,0.8310773764649442,0.8508241381673635,0.7415872798300323,0.712888081694195,0.7840942190391338
EOS-2-12742,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)cc1,HJWCDAMQSBIVTD-UHFFFAOYSA-N,2,1,0.495,89,731,440.854,3.747,5,0.379,0.77,1.0,0.8310859433897608,0.8956377218833528,0.715569529161812,0.7285741210335138,0.7927168288671099
EOS-2-12743,Cc1nc(-c2ccc(C#N)cc2)cc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)n1,WJKJJNQAPUQPQQ-UHFFFAOYSA-N,2,1,0.379,44,500,440.854,4.269,5,0.38,0.75,1.0,0.6843602220546913,0.6968250976629429,0.6597731478308546,0.672786306627373,0.6784361935439654
EOS-2-12744,Clc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3ccc(-c4cn[nH]c4)cc3)n12,OSCPHUNUWAFKSX-UHFFFAOYSA-N,2,1,0.338,9,340,440.854,4.552,6,0.428,0.69,1.0,0.264906449181002,0.41719210472208895,0.7260640120622301,0.7750411212391201,0.5458009218011103
EOS-2-12745,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncncc5Cl)nc4)n23)cc1,MZUHIQOCKPKNPT-UHFFFAOYSA-N,2,1,0.535,89,805,440.854,3.747,5,0.406,0.76,0.999,0.9690819683366458,0.9091820300185045,0.7155780960866287,0.7233140291960798,0.8292890309094647
EOS-2-12746,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccoc6)cc5)n34)nn2)cn1,UZPILOAWCSESOU-UHFFFAOYSA-N,2,1,0.321,42,620,440.854,4.347,6,0.376,0.75,1.0,0.02041498183811939,0.13871564663148517,0.6068466863134809,0.6903913371256254,0.3640921629771777
EOS-2-12747,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cn1,AQWHELYPBBBQGJ-UHFFFAOYSA-N,2,1,0.506,55,939,440.854,3.747,5,0.406,0.68,1.0,0.7742272633815366,0.7825286135288877,0.7464875608251662,0.7341511890891645,0.7593486567061887
EOS-2-12748,N#Cc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c1,NDEKBYAXEBLMJF-UHFFFAOYSA-N,2,1,0.575,16,969,440.854,3.747,5,0.406,0.79,1.0,0.8931618806113357,0.9567627304502776,0.7129823178671784,0.744585703515866,0.8268731581111644
EOS-2-12749,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)c1,VPEHRDWOIOLFNA-UHFFFAOYSA-N,2,1,0.329,3,668,440.854,4.347,6,0.401,0.74,1.0,0.0442053320540059,0.19984065519841,0.6301144541155507,0.6935011308340758,0.3919153930505106
EOS-2-12750,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)nc1,IHMJPARNRSAFRK-UHFFFAOYSA-N,2,1,0.462,46,267,440.854,3.747,5,0.406,0.6,1.0,0.4422503598108423,0.5567644438352409,0.6815588376396409,0.7042954561030772,0.5962172743472003
EOS-2-12751,C#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)cn1,AWWKYUXSTOHMJD-UHFFFAOYSA-N,2,1,0.541,55,930,440.854,3.252,5,0.383,0.66,1.0,0.7629103556987183,0.7825371804537044,0.4759612089644301,0.4431755876910424,0.6161460832019738
EOS-2-12752,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cn5)c4)n23)cc1,XCXQPVXILORQRK-UHFFFAOYSA-N,2,1,0.536,16,82,440.854,3.747,5,0.406,0.7,1.0,0.9494208758823932,0.9091905969433213,0.7028733465835104,0.7071054074429443,0.8171475567130423
EOS-2-12753,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccoc6)cc5)n34)n2)cc1,LSDAAFNGDVGFKG-UHFFFAOYSA-N,2,1,0.359,3,158,440.854,4.347,6,0.401,0.74,1.0,0.05697005003084093,0.20932424097046123,0.4623140977314783,0.6293434308820506,0.33948795490370776
EOS-2-12754,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncc4Cl)n23)cc1,JZBQJUNCQZCVCA-UHFFFAOYSA-N,2,1,0.524,89,817,440.854,3.747,5,0.406,0.73,1.0,0.94942944280721,0.9310105544513742,0.8165050373517923,0.8088119388664246,0.8764392433692002
EOS-2-12755,N#Cc1ccnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,GIQQGXTWXSMXQZ-UHFFFAOYSA-N,2,1,0.529,4,401,440.854,3.747,5,0.406,0.73,1.0,0.782931258995271,0.9357737646494414,0.6677318209855391,0.7128966486190117,0.7748333733123157
EOS-2-12756,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)c2)cc1,MWSWLJNIDCEAPR-UHFFFAOYSA-N,2,1,0.416,46,160,440.854,3.747,5,0.379,0.74,1.0,0.7388801315879652,0.6968336645877595,0.7260725789870468,0.7285826879583305,0.7225922657802755
EOS-2-12757,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)cn1,NXGXIZFSFAKVMB-UHFFFAOYSA-N,2,1,0.547,97,939,440.854,3.747,5,0.379,0.76,1.0,0.7714258789664862,0.7697124940031527,0.7513621410458502,0.7208553217736962,0.7533389589472963
EOS-2-12758,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)nn1,YYTMJJUPSOHOFC-UHFFFAOYSA-N,2,1,0.548,72,22,440.854,3.747,5,0.406,0.7,1.0,0.8236412857240765,0.8772445343019669,0.6732232197930231,0.6819700500308409,0.7640197724624769
EOS-2-12759,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nc2)nn1,MAGXQYHJGCJKAG-UHFFFAOYSA-N,2,1,0.391,72,412,440.854,4.269,5,0.407,0.74,1.0,0.7240165170310465,0.8569237886368309,0.7363871564663148,0.7043040230278939,0.7554078712905216
EOS-2-12760,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccncc5Cl)n34)c2)nc1,PGMNTOXVQXEBDS-UHFFFAOYSA-N,2,1,0.407,46,181,440.854,3.747,5,0.406,0.75,1.0,0.6416455349187855,0.6236635597285998,0.7440973888013159,0.7548917140703173,0.6910745493797547
EOS-2-12761,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)n1,WSGKZXPMKTYTGP-UHFFFAOYSA-N,2,1,0.321,3,289,440.854,4.347,6,0.401,0.7,0.999,0.09846823384277979,0.2551401548900007,0.4967702693441162,0.612106778150915,0.3656213590569529
EOS-2-12762,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nn2)c1,PEFHHESLFFHCCM-UHFFFAOYSA-N,2,1,0.326,3,783,440.854,4.347,6,0.401,0.74,1.0,0.04563600849838942,0.16150366664382154,0.5383455554794051,0.6293519978068672,0.34370930710712083
EOS-2-12763,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)nc1,NVKMQJKGIQQCAK-UHFFFAOYSA-N,2,1,0.402,46,565,440.854,3.747,5,0.379,0.68,1.0,0.6328987046809678,0.6236721266534165,0.7313241038996642,0.7314354739222808,0.6798326022890824
EOS-2-12764,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cc1,CPAQARYIZVWMHF-UHFFFAOYSA-N,2,1,0.354,3,668,440.854,4.347,6,0.401,0.75,1.0,0.0569786169556576,0.22962785278596395,0.6425193612500857,0.7016568432595436,0.4076956685628127
EOS-2-12765,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nncs5)nc4)n23)cc(Cl)n1,TYMWESOSFFCUNS-UHFFFAOYSA-N,2,1,0.476,55,283,440.851,3.471,5,0.382,0.69,1.0,0.7359502433006648,0.7697210609279693,0.4518624494551436,0.4837828113220478,0.6103291412514564
EOS-2-12766,Fc1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnn5)s4)n23)c(Cl)c1,DGVXVWOBBCEJPO-UHFFFAOYSA-N,2,1,0.541,34,820,440.851,3.471,5,0.409,0.73,1.0,0.6189089164553492,0.807406963196491,0.22804297169488041,0.3928363374683024,0.5117987972037557
EOS-2-12767,Fc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)s1,WJHQHICOLBYWJV-UHFFFAOYSA-N,2,1,0.549,4,32,440.851,3.471,5,0.409,0.7,1.0,0.7240250839558632,0.8851004043588514,0.26049448290041805,0.38020869028853405,0.5624571653759167
EOS-2-12768,Fc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1nncs1,CHLACRGHNXRARL-UHFFFAOYSA-N,2,1,0.407,46,565,440.851,3.471,5,0.382,0.62,1.0,0.6814131999177575,0.6672863408950723,0.40447878829415396,0.4653553560413954,0.5546334212870948
EOS-2-12769,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4nncs4)cn3)n12,TYFRPPVCSRPKOH-UHFFFAOYSA-N,2,1,0.524,73,446,440.851,3.471,5,0.409,0.7,1.0,0.6754077856212733,0.8956462888081694,0.37510280309780003,0.4746419025426633,0.6051996950174765
EOS-2-12770,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5csnn5)cn4)n23)cc1Cl,WPMHXOCHTPNIGD-UHFFFAOYSA-N,2,1,0.536,73,212,440.851,3.471,5,0.409,0.63,1.0,0.5287505996847371,0.7113888698512781,0.48678123500788156,0.5719793023096429,0.5747250017133849
EOS-2-12771,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4csnn4)cn3)n12,FRJFDBPYSMFLIM-UHFFFAOYSA-N,2,1,0.529,73,212,440.851,3.471,5,0.409,0.57,1.0,0.47816290864231376,0.7344338976081146,0.44106812418614216,0.5430659310533891,0.5491827153724899
EOS-2-12772,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)s4)n23)cnc1-c1cncnc1,KZYYMENIPCWBAE-UHFFFAOYSA-N,2,1,0.46,55,435,440.851,3.471,5,0.409,0.66,1.0,0.6692224659036392,0.6918648481940922,0.414998971969022,0.4592300047974779,0.5588290727160578
EOS-2-12773,Fc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1nncs1,BHQVTVDUIONOBT-UHFFFAOYSA-N,2,1,0.424,46,237,440.851,3.471,5,0.382,0.63,1.0,0.5620416695223083,0.604859159756014,0.31160475635665824,0.39003495305325203,0.46713513467205814
EOS-2-12774,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ncc1-c1nncs1,HTVOXJIWPQYVKJ-UHFFFAOYSA-N,2,1,0.477,55,875,440.851,3.471,5,0.382,0.63,1.0,0.6077633472688644,0.8111250085669248,0.44811870331025977,0.5091066410801178,0.5940284250565417
EOS-2-12775,Fc1cc(COc2cncc3nnc(-c4cc(-c5cncs5)ncn4)n23)cnc1Cl,VXCASOFKNMPRKI-UHFFFAOYSA-N,2,1,0.402,46,395,440.851,3.471,5,0.382,0.56,0.848,0.6505979713522034,0.5615362209581248,0.5003598108423001,0.5225310122678364,0.5587562538551162
EOS-2-12776,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)o2)c1,GQXMDXVKHXEWLA-UHFFFAOYSA-N,2,1,0.385,3,641,440.85,5.422,6,0.361,0.83,1.0,0.20794496607497773,0.39329895140840243,0.6456205880337195,0.7445942704406826,0.49786469398944555
EOS-2-12777,Clc1cc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)ccc1-c1cnco1,WZQFXEZVUNLUDW-UHFFFAOYSA-N,2,1,0.38,69,30,440.85,5.422,6,0.361,0.8,1.0,0.37939483243095057,0.4790624357480639,0.8472003289699129,0.8623723528202316,0.6420074874922898
EOS-2-12778,Clc1ccc(-c2nocc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,DXFIAPZJNFUNBP-UHFFFAOYSA-N,2,1,0.38,69,30,440.85,5.422,6,0.361,0.73,1.0,0.3155027071482421,0.4031252141731204,0.7603402782537181,0.8253632376122267,0.5760828592968268
EOS-2-12779,Clc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccoc5)cc4)n23)o1,UJUGMSKWAAFEST-UHFFFAOYSA-N,2,1,0.368,93,641,440.85,5.422,6,0.361,0.77,1.0,0.28634089507230487,0.41248886299773835,0.6570745665136043,0.767793502844219,0.5309244568569667
EOS-2-12780,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)o2)cc1,PUFHZCDZKPPGRD-UHFFFAOYSA-N,2,1,0.397,3,641,440.85,5.422,6,0.361,0.8,1.0,0.2891936810362552,0.492289767664999,0.6625830991707217,0.754900280995134,0.5497417072167774
EOS-2-12781,Clc1ccc(-c2cocn2)cc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,RSVOAIYBJUSLOY-UHFFFAOYSA-N,2,1,0.338,69,30,440.85,5.422,6,0.361,0.68,1.0,0.3677952162291824,0.48316599273524774,0.837733877047495,0.8539167980261805,0.6356529710095264
EOS-2-12782,Cn1nnnc1COc1cncc2nnc(-c3cnn(C)c3-c3ccc(Cl)c(F)c3)n12,RWPQUHOYWTYWMR-UHFFFAOYSA-N,2,1,0.471,36,404,440.83,2.087,5,0.408,0.68,1.0,0.42150126790487286,0.5909207730792955,0.11614179973956548,0.22308272222602973,0.3379116407374409
EOS-2-12783,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3c(F)cccc3Cl)n12,CGXJKAYPEUVOGN-UHFFFAOYSA-N,2,1,0.455,36,404,440.83,2.087,5,0.408,0.54,0.938,0.4262302104036735,0.5756116784319101,0.0880851209649784,0.17781509149475705,0.31693552532382974
EOS-2-12784,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,XVRSZBMHSFFXMZ-UHFFFAOYSA-N,2,1,0.535,36,728,440.83,2.087,5,0.408,0.67,1.0,0.5129103556987183,0.769729627852786,0.1330100747035844,0.22309128915084642,0.4096853368514838
EOS-2-12785,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,QGAVYSGLRGDJOX-UHFFFAOYSA-N,2,1,0.529,36,404,440.83,2.087,5,0.408,0.62,1.0,0.4468336645877596,0.7160235761770954,0.1102820231649647,0.20291618120759372,0.3690138612843533
EOS-2-12786,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)n2C)no1,OZKHCBPBTWXDHX-UHFFFAOYSA-N,2,1,0.536,73,391,440.826,3.255,5,0.409,0.7,1.0,0.5789270783359606,0.6968422315125763,0.20006339524364333,0.2795130559934206,0.43883644027140023
EOS-2-12787,Cn1nc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1-c1nnco1,YCDNRNFTTPVHDO-UHFFFAOYSA-N,2,1,0.489,95,998,440.826,2.989,5,0.396,0.68,0.99,0.45841614693989446,0.35039579192653003,0.2933572064971558,0.39284490439311903,0.3737535124391748
EOS-2-12788,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n(C)n2)o1,KICLPNCKTMXURD-UHFFFAOYSA-N,2,1,0.541,36,404,440.826,3.255,5,0.409,0.63,1.0,0.5564817353162909,0.7436690425604825,0.24969159070659996,0.3132153382221918,0.4657644267013913
EOS-2-12789,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n(C)n2)no1,RTWIQPUXSWWSRR-UHFFFAOYSA-N,2,1,0.535,36,391,440.826,3.255,5,0.409,0.74,1.0,0.5679357137961757,0.7436776094852992,0.26384415050373516,0.3223305462271263,0.4744470050030841
EOS-2-12790,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)on2)n1C,XDHICTNHMLGXJT-UHFFFAOYSA-N,2,1,0.517,36,404,440.826,3.255,5,0.409,0.67,1.0,0.6723065588376397,0.7436861764101158,0.18965458159139195,0.28824275238160507,0.47347251730518813
EOS-2-12791,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5Cl)n34)n(C)n2)no1,JVSDEYNXGTZQDX-UHFFFAOYSA-N,2,1,0.529,36,29,440.826,3.255,5,0.409,0.68,1.0,0.46562949763552874,0.6332585155232677,0.22805153861969707,0.30052772256870675,0.40686681858680007
EOS-2-12792,Cc1nc(-c2nn(C)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2F)no1,MHAOTNFOARXAAQ-UHFFFAOYSA-N,2,1,0.562,36,32,440.826,3.255,5,0.409,0.71,1.0,0.5679442807209923,0.7911469398944555,0.11893461722979919,0.21490987595092864,0.42323392844904395
EOS-2-12793,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)nn2C)no1,VSCQNJBMTUJMFP-UHFFFAOYSA-N,2,1,0.433,95,998,440.826,3.255,5,0.409,0.71,1.0,0.3608645740524981,0.35040435885134674,0.2638527174285518,0.3383592625591118,0.32837022822287715
EOS-2-12794,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n(C)n2)no1,BZXMZNGRGXXCJR-UHFFFAOYSA-N,2,1,0.529,36,29,440.826,3.255,5,0.409,0.66,1.0,0.48039030909464736,0.6918734151189089,0.22806010554451375,0.3005362894935234,0.4252150298128984
EOS-2-12795,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nn2C)no1,CIJAEIDLIXXNEM-UHFFFAOYSA-N,2,1,0.568,95,998,440.826,3.255,5,0.409,0.8,1.0,0.442258926735659,0.407751353574121,0.2827342197244877,0.3512096497841135,0.3709885374545953
EOS-2-12796,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)no2)n1C,AHSGCZJFKAZWAA-UHFFFAOYSA-N,2,1,0.517,36,10,440.826,3.255,5,0.409,0.69,1.0,0.5260006168185868,0.6624545952984716,0.1930470838187924,0.2853728325680214,0.416718782125968
EOS-2-12797,Cc1oc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,XPFPUQLUUXOYOY-UHFFFAOYSA-N,2,1,0.5,36,728,440.826,3.255,5,0.409,0.74,1.0,0.602049208416147,0.6918819820437255,0.3263570008909602,0.4049328353094373,0.5063052566650675
EOS-2-12798,Fc1ccc(-c2nnc3cncc(-c4cnn(C(F)F)c4-c4ccc(Cl)cc4)n23)cc1,JQXZDDWHVPEHQK-UHFFFAOYSA-N,2,1,0.441,45,533,440.816,5.509,5,0.37,0.73,1.0,0.2518076211363169,0.5955469124802961,0.960155232677678,0.9735710369405798,0.6952702008087177
EOS-2-12799,Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1-c1ccc(F)c(F)c1,KIGIPFROIZFHEG-UHFFFAOYSA-N,2,1,0.393,45,102,440.816,4.93,5,0.399,0.74,1.0,0.24628195462956617,0.5334452744842711,0.9688934959906792,0.9805787814406141,0.6822998766362827
EOS-2-12800,Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1-c1ccc(F)c(F)c1,HBGLPHJSCSVVHF-UHFFFAOYSA-N,2,1,0.414,45,102,440.816,4.93,5,0.399,0.73,1.0,0.2409533273935988,0.5660252895620588,0.9628195462956617,0.9777345624014804,0.6868831814131999
EOS-2-12801,Cn1cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccc(F)c(F)c2F)n1,LXDJBVMUVUZNLJ-UHFFFAOYSA-N,2,1,0.437,45,102,440.816,4.93,5,0.373,0.77,1.0,0.2947621821670893,0.6193629634706326,0.9617144129943116,0.9740422178054965,0.7124704441093825
EOS-2-12802,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cc(F)c(Cl)cc4F)n23)c(F)c1,MKSZCRHDVGCPCO-UHFFFAOYSA-N,2,1,0.333,45,102,440.816,4.93,5,0.373,0.68,1.0,0.3770988965800836,0.5861746967308615,0.9659464738537454,0.9735796038653964,0.7256999177575217
EOS-2-12803,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)c4)n23)cc1,OYDYNIGFNGSOPJ-UHFFFAOYSA-N,2,1,0.383,96,315,440.816,5.316,5,0.381,0.82,1.0,0.10098690973888014,0.4172006716469056,0.9937375779590158,0.9933520663422658,0.6263193064217668
EOS-2-12804,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(OC(F)(F)F)c(Cl)c3)n12,LNYPAZMFZDYOKD-UHFFFAOYSA-N,2,1,0.592,23,254,459.186,5.928,4,0.354,0.79,1.0,0.9700500308409293,0.9815040093208142,0.9992204098416833,0.9996830237817833,0.9876143684463025
EOS-2-12805,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cc1,BWKUEPJQYPJDJM-UHFFFAOYSA-N,2,1,0.518,34,612,440.801,3.278,5,0.414,0.63,1.0,0.43079638133095743,0.7018967171544103,0.5417123569323555,0.7043125899527106,0.5946795113426084
EOS-2-12806,Cn1nncc1-c1ccc(-c2nnc3cncc(Oc4cnc(Cl)c(F)c4)n23)cc1F,FERIGRUAAFZUOX-UHFFFAOYSA-N,2,1,0.461,13,79,440.801,3.706,5,0.393,0.6,0.976,0.5438969227606059,0.6380131587965184,0.787548831471455,0.8066959084367076,0.6940387053663217
EOS-2-12807,Cn1nnnc1-c1cc(F)cc(Oc2cncc3nnc(-c4ccc(F)cc4Cl)n23)c1,AYUJZJDGAYBDSJ-UHFFFAOYSA-N,2,1,0.53,13,941,440.801,3.706,5,0.42,0.74,1.0,0.5491741484476732,0.7949249537386059,0.6895946131176752,0.7959615516414228,0.7074138167363443
EOS-2-12808,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5F)n34)nn2)cn1,DELSAAMTKVZYGJ-UHFFFAOYSA-N,2,1,0.416,54,251,440.801,3.706,5,0.393,0.68,1.0,0.46310225481461176,0.5521383044342403,0.7742186964567199,0.7819717634158042,0.642857754780344
EOS-2-12809,Fc1cccc(-n2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1F,RHVKTMGGZNFBBL-UHFFFAOYSA-N,2,1,0.561,34,612,440.801,3.278,5,0.414,0.66,1.0,0.7086046192858612,0.837245562332945,0.5282965526694537,0.6960969090535262,0.6925609108354465
EOS-2-12810,Fc1ccc(-c2nnc3cncc(OCc4nnn(-c5ccc(Cl)cc5)n4)n23)c(F)c1,HOHMJSCPEAJSJX-UHFFFAOYSA-N,2,1,0.518,34,612,440.801,3.278,5,0.414,0.65,1.0,0.4262387773284902,0.672220889589473,0.5417209238571722,0.7071139743677609,0.5868236412857241
EOS-2-12811,Cn1cc(-c2nnc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)cc2F)cn1,ULANIEJYZBVFEK-UHFFFAOYSA-N,2,1,0.412,34,706,440.801,3.706,5,0.42,0.67,1.0,0.5260091837434034,0.6236806935782332,0.6650161058186553,0.7181310396819958,0.633209255705572
EOS-2-12812,Cn1nc(-c2ccc(Cl)nn2)cc1Oc1cncc2nnc(-c3ccc(F)c(F)c3)n12,CTPZHZXTCVVCQP-UHFFFAOYSA-N,2,1,0.471,22,706,440.801,3.706,5,0.42,0.68,1.0,0.6536820642862038,0.8229216640394764,0.6732317867178398,0.7129052155438284,0.715685182646837
EOS-2-12813,Cn1nnnc1-c1cc(F)cc(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,YXZIBZVXTKSDKV-UHFFFAOYSA-N,2,1,0.53,13,941,440.801,3.706,5,0.42,0.7,1.0,0.5905181276129121,0.8631091083544651,0.689603180042492,0.7936570488657392,0.7342218662189021
EOS-2-12814,FC(F)Oc1ccc(-c2nnc3cncc(-c4cnn(-c5cnccc5Cl)n4)n23)cc1,USPKYRBWXNNMSX-UHFFFAOYSA-N,2,1,0.469,22,121,440.801,3.689,5,0.411,0.76,1.0,0.07558597765746009,0.4745219655952299,0.7790675759029538,0.8215338222191763,0.537677335343705
EOS-2-12815,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)n4)n23)ccc1Cl,FRWMTARHRBUVME-UHFFFAOYSA-N,2,1,0.553,47,223,440.801,3.482,5,0.417,0.53,1.0,0.8386077033787952,0.7867521074635049,0.7441059557261326,0.779941402234254,0.7873517922006716
EOS-2-12816,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1nc[nH]n1,AOQGSUREDJYCEM-UHFFFAOYSA-N,2,1,0.5,47,164,440.801,3.482,5,0.417,0.61,1.0,0.9124288945240216,0.8266482763347269,0.8085806318963745,0.8155455417723254,0.8408008361318621
EOS-2-12817,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)n4)n23)cc1Cl,XZOCSJFZBXKYRU-UHFFFAOYSA-N,2,1,0.553,47,223,440.801,3.482,5,0.417,0.55,1.0,0.8386162703036119,0.7867606743883215,0.7441145226509492,0.781980330340621,0.7878679494208759
EOS-2-12818,COc1cc(-c2nnc3cncc(-c4nnn(-c5cc(F)cc(F)c5)n4)n23)ccc1Cl,VBQNBEYDLQWROF-UHFFFAOYSA-N,2,1,0.357,22,990,440.801,3.374,5,0.422,0.74,1.0,0.17677849359194023,0.5334538414090878,0.6425279281749023,0.737029675827565,0.5224474847508738
EOS-2-12819,FC(F)Oc1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)cc1,ZSEIAVBCTXLLHA-UHFFFAOYSA-N,2,1,0.475,22,990,440.801,3.689,5,0.411,0.76,1.0,0.21331642793502845,0.614608320197382,0.6787917209238572,0.7865979028168049,0.5733285929682681
EOS-2-12820,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1ccc(F)nn1,PIQFQUGGXPRUCV-UHFFFAOYSA-N,2,1,0.407,95,956,440.801,3.706,5,0.42,0.63,0.985,0.395115139469536,0.48781783291069836,0.6185491056130491,0.6961054759783428,0.5493968884929066
EOS-2-12821,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1c[nH]nn1,ZSBBGQOOOXKIGR-UHFFFAOYSA-N,2,1,0.511,16,772,440.801,3.482,5,0.417,0.64,1.0,0.8334589815639778,0.7481409773147831,0.8507898704680967,0.8590826536906312,0.8228681207593722
EOS-2-12822,Fc1cc(F)c(Cl)c(-c2nnc3cncc(OCc4ccc(-n5cncn5)nc4)n23)c1,HCYYGTKHHMMMSX-UHFFFAOYSA-N,2,1,0.472,73,772,440.801,3.278,5,0.387,0.69,1.0,0.4679340004112124,0.52445000342677,0.7857326434103215,0.7936656157905558,0.6429455657597148
EOS-2-12823,Fc1cc(F)c(-c2nnc3cncc(OCc4ccc(-n5cccn5)nn4)n23)cc1Cl,VYVZZJVTROTDTR-UHFFFAOYSA-N,2,1,0.5,34,391,440.801,3.278,5,0.387,0.63,0.99,0.4122832568021383,0.547529298882873,0.6761959427044069,0.7260211774381468,0.5905074189568912
EOS-2-12824,Fc1cc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)c(F)n4)n23)ccc1Cl,AZXZNROKFOWROW-UHFFFAOYSA-N,2,1,0.56,59,223,440.801,3.482,5,0.417,0.54,0.948,0.7714344458913028,0.7391200054828319,0.8063703652936742,0.8354208073469948,0.788086406003701
EOS-2-12825,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4c[nH]nn4)c(F)n3)n12,SPWYFAMXLIIWQC-UHFFFAOYSA-N,2,1,0.441,46,223,440.801,3.482,5,0.417,0.55,0.999,0.6630714138852717,0.6918905489685423,0.7875573983962717,0.829483928449044,0.7430008224247824
EOS-2-12826,COc1ccc(-n2nnnc2-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1F,QRLVLTZYQFROQE-UHFFFAOYSA-N,2,1,0.361,22,990,440.801,3.374,5,0.422,0.7,1.0,0.13596566376533478,0.5152576930984853,0.7181995750805291,0.7936741827153725,0.5407742786649304
EOS-2-12827,Cn1cnnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cn1,LULZVUXSLIHELG-UHFFFAOYSA-N,2,1,0.471,13,391,440.801,3.706,5,0.42,0.74,1.0,0.6389212528270852,0.7654804331437187,0.707859296826811,0.7627732849016517,0.7187585669248167
EOS-2-12828,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)cc1F,FNTKZEALALNOHP-UHFFFAOYSA-N,2,1,0.61,34,210,440.797,4.352,5,0.401,0.74,1.0,0.9309848536769242,0.9244568569666233,0.7985230621616065,0.8590912206154478,0.8782639983551505
EOS-2-12829,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)no2)cc1,RMNRPPQQJBLIJX-UHFFFAOYSA-N,2,1,0.537,34,146,440.797,4.352,5,0.401,0.79,1.0,0.7511137002261669,0.8440819683366458,0.7603488451785347,0.8394301281611952,0.7987436604756356
EOS-2-12830,Fc1cc(F)cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)c1,FNDIPLBZTPKCGI-UHFFFAOYSA-N,2,1,0.577,34,210,440.797,4.352,5,0.401,0.78,1.0,0.8636316907682818,0.8851089712836681,0.765034953053252,0.8433366458775958,0.8392780652456994
EOS-2-12831,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)c(F)c1,DWSRNQKXTGVKPW-UHFFFAOYSA-N,2,1,0.584,34,210,440.797,4.352,5,0.401,0.81,1.0,0.9093276677403879,0.904812898362004,0.7650435199780686,0.8469861558494962,0.8565425604824891
EOS-2-12832,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)c(F)c5)n4)n23)cc1,OYIPLVCNQSRLPL-UHFFFAOYSA-N,2,1,0.61,34,210,440.797,4.352,5,0.401,0.79,1.0,0.9321670893016243,0.9091991638681379,0.7961071893633062,0.857335001028031,0.8737021108902748
EOS-2-12833,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)c1F,SMBSMCODIBKWIR-UHFFFAOYSA-N,2,1,0.582,34,210,440.797,4.352,5,0.401,0.77,1.0,0.9271554382838736,0.9048214652868206,0.7697467617024193,0.8433452128024125,0.8612672195188815
EOS-2-12834,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nc5)o4)n23)c(Cl)c1,OMCMUZYHSVWZGJ-UHFFFAOYSA-N,2,1,0.536,59,10,440.797,4.352,5,0.375,0.71,1.0,0.8657477211979988,0.9048300322116373,0.8490250839558632,0.8671955314920157,0.8716995922143786
EOS-2-12835,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)o4)n23)cc1Cl,LQDFWNKYVOUMIQ-UHFFFAOYSA-N,2,1,0.393,50,121,440.797,4.763,5,0.389,0.69,1.0,0.6049962305530807,0.7391285724076485,0.9477331916935097,0.9398430539373587,0.8079252621478995
EOS-2-12836,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(F)c2)o1,WRZBIVHPTIZQJM-UHFFFAOYSA-N,2,1,0.466,34,145,440.797,4.874,5,0.393,0.68,1.0,0.7885340278253719,0.9130714138852717,0.8490336508806798,0.8640000685353986,0.8536597902816805
EOS-2-12837,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cccc(Cl)c5)n4)n23)cc1F,FXCKUNVXOKNLTR-UHFFFAOYSA-N,2,1,0.537,34,210,440.797,4.352,5,0.401,0.78,1.0,0.8453156055102461,0.8372541292577617,0.7812949763552876,0.8505157288739634,0.8285951099993147
EOS-2-12838,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c(F)c2)o1,FXAQASPXHPPOMJ-UHFFFAOYSA-N,2,1,0.494,13,145,440.797,4.874,5,0.393,0.72,1.0,0.9014032622849701,0.9427386745253924,0.872626961825783,0.8775700774450004,0.8985847440202865
EOS-2-12839,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)cc1F,XFGVUUMGYOLHKK-UHFFFAOYSA-N,2,1,0.59,34,210,440.797,4.352,5,0.401,0.79,1.0,0.9093362346652045,0.8956548557329861,0.7961157562881228,0.8573435679528476,0.8646126036597902
EOS-2-12840,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)c(Cl)c1,OQYAXMCHWIRYKL-UHFFFAOYSA-N,2,1,0.549,34,146,440.797,4.352,5,0.401,0.66,1.0,0.9247224316359399,0.9296141457062573,0.9108268795833048,0.9221609211157563,0.9218310945103146
EOS-2-12841,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)c(Cl)c4)n23)cc1,YWYOLEXNXWARTQ-UHFFFAOYSA-N,2,1,0.5,96,121,440.797,4.763,5,0.389,0.81,1.0,0.7799585360838873,0.9048385991364539,0.9423017613597423,0.9438609416763758,0.8927399595641149
EOS-2-12842,Fc1ccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)cc1-c1nnco1,VZAFRWJLUVHNQH-UHFFFAOYSA-N,2,1,0.544,34,671,440.797,4.352,5,0.401,0.69,1.0,0.8431481735316291,0.8151257624563086,0.8841494757042012,0.9043845521211706,0.8617019909533274
EOS-2-12843,Fc1ccc(-c2nnc3cncc(OCc4c(Cl)ccnc4F)n23)cc1-c1ncco1,YXUIWQYAYYAIDX-UHFFFAOYSA-N,2,1,0.518,59,89,440.797,4.352,5,0.375,0.64,1.0,0.9384809128915085,0.8688832156808992,0.8699283805085326,0.8760879994517168,0.8883451271331642
EOS-2-12844,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)cc1F,GOMKMFBOSMVPGS-UHFFFAOYSA-N,2,1,0.603,34,372,440.797,4.352,5,0.401,0.78,1.0,0.9524621341923103,0.9736824069631965,0.8127784250565417,0.8672040984168323,0.9015317661572202
EOS-2-12845,COc1cc(-c2nnc3cncc(-c4cc(F)c(-c5ncon5)cc4F)n23)ccc1Cl,YASVAVILRUSTEG-UHFFFAOYSA-N,2,1,0.375,45,575,440.797,4.449,5,0.407,0.71,1.0,0.7301761359742307,0.752552943595367,0.9099102186279213,0.9076828181755877,0.8250805290932767
EOS-2-12846,Fc1ccc(F)c(-c2nnc3cncc(OCc4nnc(-c5cccc(Cl)c5)o4)n23)c1,KLDUEUMJHSOCOQ-UHFFFAOYSA-N,2,1,0.506,34,146,440.797,4.352,5,0.401,0.8,1.0,0.762918922623535,0.8657220204235487,0.7603574121033514,0.8433537797272291,0.8080880337194161
EOS-2-12847,Fc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cc5)o4)n23)c(F)c1,DVZMBVSXDGNZPK-UHFFFAOYSA-N,2,1,0.568,34,372,440.797,4.352,5,0.401,0.75,1.0,0.8821191145226509,0.942747241450209,0.7766517031046536,0.8505242957987801,0.8630105887190734
EOS-2-12848,COc1c(F)cccc1-c1noc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)n1,WUKVSYIQOFBEPF-UHFFFAOYSA-N,2,1,0.404,45,102,440.797,4.449,5,0.407,0.76,1.0,0.7114831060242616,0.778236584195737,0.7938112535124392,0.8253718045370434,0.7772256870673703
EOS-2-12849,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nc5)no4)n23)cc1F,YYWSSZXZELHJGM-UHFFFAOYSA-N,2,1,0.561,59,89,440.797,4.352,5,0.375,0.75,1.0,0.9422246590363923,0.929622712631074,0.8877475841272017,0.8969912960043863,0.9141465629497636
EOS-2-12850,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)c(F)c1,LPELNPMRLPTJFM-UHFFFAOYSA-N,2,1,0.577,34,372,440.797,4.352,5,0.401,0.78,1.0,0.9258875334110068,0.9663491193201289,0.7790761428277705,0.8555273798917141,0.8817100438626551
EOS-2-12851,Fc1ccc(F)c(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cc5)o4)n23)c1,SEEJOJYNNPOHIA-UHFFFAOYSA-N,2,1,0.494,34,372,440.797,4.352,5,0.401,0.73,1.0,0.8678037831539991,0.935782331574258,0.7742272633815366,0.8505328627235967,0.8570865602083477
EOS-2-12852,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)ccc1Cl,BNDZMPUDLXTQKR-UHFFFAOYSA-N,2,1,0.615,43,96,440.797,4.352,5,0.401,0.68,1.0,0.9767065314234802,0.9767750668220135,0.9267442258926736,0.9303766020149408,0.952650606538277
EOS-2-12853,Fc1cccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)o2)c1,OSXBPOKMMUNJFC-UHFFFAOYSA-N,2,1,0.56,34,146,440.797,4.352,5,0.401,0.8,1.0,0.8821276814474677,0.9427558083750257,0.760365979028168,0.8414090877938455,0.8566646391611268
EOS-2-12854,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)cc1Cl,NFDIWAKRRMWKBQ-UHFFFAOYSA-N,2,1,0.712,43,96,440.797,4.352,5,0.401,0.76,1.0,0.9741107532040298,0.9567712973750943,0.9213556301829895,0.92500514015489,0.9443107052292509
EOS-2-12855,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)o2)cn1,WOTPBMSXJVCADA-UHFFFAOYSA-N,2,1,0.524,59,671,440.797,4.352,5,0.375,0.63,1.0,0.8453241724350627,0.879925981769584,0.821927900760743,0.846994722774313,0.8485431944349257
EOS-2-12856,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)c1,XBVFGRLXYBDQLI-UHFFFAOYSA-N,2,1,0.53,34,146,440.797,4.352,5,0.401,0.68,1.0,0.9138681378932219,0.9170550339250223,0.909918785552738,0.9209272839421562,0.9154423103282846
EOS-2-12857,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1-c1nnco1,MKNFPMMJVIVSCW-UHFFFAOYSA-N,2,1,0.582,34,146,440.797,4.352,5,0.401,0.74,1.0,0.9309934206017408,0.9538499760126106,0.9039133712562538,0.9166438215338222,0.9263501473511069
EOS-2-12858,COc1cc(Cl)ccc1-c1nnc2cncc(-c3nnc(-c4ccc(F)cc4F)o3)n12,JRKGCOFRKSTEJS-UHFFFAOYSA-N,2,1,0.378,45,730,440.797,4.449,5,0.407,0.72,0.993,0.67541635254609,0.8111335754917415,0.8063789322184909,0.8470032896991296,0.784983037488863
EOS-2-12859,Fc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cc5)o4)n23)cc1F,SPGXSPQSKLPYMV-UHFFFAOYSA-N,2,1,0.582,34,372,440.797,4.352,5,0.401,0.76,1.0,0.9442807209923926,0.967659858817079,0.8108251661983414,0.8655421150023987,0.8970769652525529
EOS-2-12860,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)c5)o4)n23)c(F)c1,DTFHENXDAZWZKD-UHFFFAOYSA-N,2,1,0.549,73,71,440.797,4.352,5,0.401,0.69,1.0,0.8744003152628332,0.9048471660612707,0.8441076691110959,0.8719758755397162,0.873832756493729
EOS-2-12861,Fc1cc(-c2ncno2)c(Cl)cc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,CKWHEIIZZCQUDH-UHFFFAOYSA-N,2,1,0.472,73,208,459.228,3.656,5,0.388,0.55,1.0,0.6216246316222329,0.7067113289013776,0.6097080392022479,0.6961140429031595,0.6585395106572545
EOS-2-12862,Cc1nnc(-c2cc(Cl)c(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)o1,GGSGQYGNWXMZMN-UHFFFAOYSA-N,2,1,0.477,22,706,459.228,4.178,5,0.39,0.64,0.998,0.7210180933452128,0.8034661777808237,0.4080340620930711,0.5491998492221233,0.6204295456103077
EOS-2-12863,Fc1cc(COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc(C(F)(F)F)c1,WGOMWKTUPHPGID-UHFFFAOYSA-N,2,1,0.681,23,240,440.759,5.321,4,0.403,0.67,1.0,0.9950397505311493,0.9931036255225825,0.9996230553080666,0.9997858268795833,0.9968880645603454
EOS-2-12864,FC(F)n1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nn1,ACVJXYKCZMKAIC-UHFFFAOYSA-N,2,1,0.405,22,844,459.247,4.814,5,0.383,0.73,1.0,0.2622678363374683,0.5244585703515866,0.8830614762524844,0.9272411075320403,0.6492572476183949
EOS-2-12865,Fc1cc(Cn2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c(F)cc1Cl,KXJNJEIJSGYBFA-UHFFFAOYSA-N,2,1,0.389,22,221,459.247,4.078,5,0.377,0.78,1.0,0.3747858268795833,0.6097937084504146,0.7415958467548489,0.9019686793228703,0.6570360153519292
EOS-2-12866,Fc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)cs2)nc1,NSUZPIYWULHSRW-UHFFFAOYSA-N,2,1,0.476,13,110,459.293,5.548,5,0.351,0.74,1.0,0.7086131862106778,0.6722294565142897,0.8127869919813584,0.8817336029059009,0.7688408094030567
EOS-2-12867,N#Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccn2)ccc1Cl,HOEYJNXKYKZAEG-UHFFFAOYSA-N,2,1,0.467,57,616,459.296,5.824,5,0.336,0.79,1.0,0.7511222671509835,0.830434857103694,0.9582019738194778,0.9712065656911795,0.8777414159413337
EOS-2-12868,Brc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cc1,RKDZSVWVDUCPCE-UHFFFAOYSA-N,2,1,0.667,1,326,459.307,4.59,5,0.383,0.74,1.0,0.8896066068124187,0.8631176752792817,0.8085891988211912,0.7981803851689397,0.8398734665204578
EOS-2-12869,Brc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1,BAIXXZXMZPCHTP-UHFFFAOYSA-N,2,1,0.671,43,433,459.307,4.59,5,0.383,0.79,1.0,0.9124374614488383,0.8657305873483654,0.7626276471797684,0.74982009457885,0.8226539476389556
EOS-2-12870,Brc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,UYOCWNVNLWOMQS-UHFFFAOYSA-N,2,1,0.636,43,433,459.307,4.59,5,0.383,0.76,1.0,0.9061921732574875,0.8631262422040984,0.7489377013227332,0.7421955314920157,0.8151129120690837
EOS-2-12871,Brc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,NHPZQAZZHBTLPK-UHFFFAOYSA-N,2,1,0.494,1,700,459.307,4.59,5,0.383,0.74,1.0,0.4977126310739497,0.5660338564868754,0.6097166061270646,0.6264649441436502,0.574982009457885
EOS-2-12872,Brc1cccc(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)c1,IUHRXTNQAXFCHL-UHFFFAOYSA-N,2,1,0.593,43,433,459.307,4.59,5,0.383,0.72,1.0,0.7023336303200604,0.7697381947776026,0.7340055513672812,0.7341597560139812,0.7350592831197313
EOS-2-12873,Brc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cc4)n23)cc1,DKXFUGVTXXKRSR-UHFFFAOYSA-N,2,1,0.704,1,326,459.307,4.59,5,0.383,0.82,1.0,0.9310019875265575,0.8851175382084847,0.8198461380302926,0.802455280652457,0.859605236104448
EOS-2-12874,Brc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,YKKJZFOGNBJPCV-UHFFFAOYSA-N,2,1,0.554,1,285,459.307,4.59,5,0.383,0.85,1.0,0.8080666164073744,0.7867692413131382,0.5553252004660407,0.5937649921184291,0.6859815125762456
EOS-2-12875,Brc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)cc1,IIONPRILVNGWDZ-UHFFFAOYSA-N,2,1,0.645,97,232,459.307,4.59,5,0.383,0.87,1.0,0.9247309985607566,0.8339215955040779,0.7340141182920978,0.710078130354328,0.8006862106778151
EOS-2-12876,Brc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)n23)cc1,KCCNMTKLEXBXQR-UHFFFAOYSA-N,2,1,0.612,1,436,459.307,4.59,5,0.383,0.79,1.0,0.7210266602700295,0.8151343293811254,0.657083133438421,0.6526283325337536,0.7114681139058323
EOS-2-12877,Brc1cccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,SQXAOLLDCZXZTB-UHFFFAOYSA-N,2,1,0.653,1,326,459.307,4.59,5,0.383,0.77,1.0,0.9062007401823041,0.8339301624288945,0.8085977657460078,0.7912154752929889,0.8349860359125488
EOS-2-12878,Brc1ccccc1COc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,SWARFXHILFKSBM-UHFFFAOYSA-N,2,1,0.562,43,433,459.307,4.59,5,0.383,0.77,1.0,0.9062093071071208,0.8688917826057159,0.7416044136796656,0.7341683229387979,0.8127184565828249
EOS-2-12879,Fc1cc(-c2nnc3cncc(-c4cc(Cl)ccc4OC4CCOCC4)n23)ccc1Cl,NVNXKFYEVGQQQC-UHFFFAOYSA-N,2,1,0.372,23,999,459.308,5.462,5,0.406,0.76,1.0,0.5620502364471249,0.677121170584607,0.8293554245767939,0.9373158111164417,0.751460660681242
EOS-2-12880,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cn4)n23)c(Cl)s1,YCSVEAYEYVHXMM-UHFFFAOYSA-N,2,1,0.471,18,773,459.318,4.831,5,0.359,0.56,1.0,0.6784490439311904,0.6284010691522172,0.5582550887533411,0.6355030498252348,0.6251520629154959
EOS-2-12881,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cnoc5)ncc4Cl)n23)s1,PLVNUAPEMWAEAO-UHFFFAOYSA-N,2,1,0.484,87,307,459.318,4.831,5,0.359,0.68,1.0,0.702342197244877,0.691899115893359,0.5940219998629293,0.6848399698444246,0.6682758207113975
EOS-2-12882,Clc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)c(Cl)s1,XPGSTBBXQSIZNN-UHFFFAOYSA-N,2,1,0.473,87,76,459.318,4.831,5,0.359,0.62,1.0,0.6784576108560071,0.6003015557535467,0.5651857309300253,0.632453224590501,0.61909953053252
EOS-2-12883,Fc1ccc(-c2cccc(-c3nnc4cncc(Cc5ccc(Br)cc5)n34)c2)cc1,GWGUVTYQCQMLNL-UHFFFAOYSA-N,2,1,0.425,83,23,459.322,5.951,5,0.334,0.82,1.0,0.5004369131656501,0.6236892605030498,0.9553234870810774,0.9692533068329793,0.762175741895689
EOS-2-12884,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)c(Cl)n4)n23)s1,KGPXRIZEPHKYAZ-UHFFFAOYSA-N,2,1,0.418,31,237,459.322,3.961,5,0.383,0.47,0.699,0.6416541018436023,0.6380217257213351,0.352460420807347,0.4866612980604482,0.5296993866081832
EOS-2-12885,Cn1nc(-c2nccs2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,UAJZOEVOZPWKMS-UHFFFAOYSA-N,2,1,0.512,36,446,459.322,3.929,5,0.393,0.71,0.997,0.4237286683572065,0.6722380234391063,0.10236618463436364,0.26180522239736825,0.36503452470701125
EOS-2-12886,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1-c1cnc(Cl)nc1,DQJXZJBXQIOSRW-UHFFFAOYSA-N,2,1,0.433,92,462,459.322,3.929,5,0.368,0.62,0.755,0.3329878006990611,0.3887327804811185,0.3524689877321637,0.4276951545473237,0.37547118086491676
EOS-2-12887,Clc1cnc(-c2nc[nH]n2)cc1-c1nnc2cncc(OCCc3ccsc3Cl)n12,KRCGCBIHFHOAOP-UHFFFAOYSA-N,2,1,0.478,65,359,459.322,3.961,5,0.41,0.51,0.997,0.6357943252690015,0.720521211705846,0.3751113700226167,0.5026214789939003,0.5585120964978412
EOS-2-12888,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)s4)n23)c(Cl)c1,LMAQTLBIRYIADD-UHFFFAOYSA-N,2,1,0.5,36,79,459.322,3.929,5,0.393,0.61,1.0,0.3449129600438627,0.515266260023302,0.34463881844972927,0.4623397985059283,0.4167894592557056
EOS-2-12889,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)no1,DKHLWXMQERXSHL-UHFFFAOYSA-N,2,1,0.63,36,728,459.348,2.447,5,0.373,0.71,1.0,0.5260177506682201,0.519832430950586,0.5780532520046604,0.4806044822150641,0.5261269789596326
EOS-2-12890,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)C(F)(F)F)cc4)n23)cc1,GNESMPSWJSSQRF-UHFFFAOYSA-N,2,1,0.754,48,240,459.378,4.939,4,0.382,0.83,1.0,0.9977383318483997,0.9907220204235487,0.9996401891576999,0.9987235282023165,0.9967060174079913
EOS-2-12891,COc1cc(-c2nnc3cncc(OCc4nc(-c5ccon5)no4)n23)ccc1-c1nnco1,MZRNSXPSMZEQEA-UHFFFAOYSA-N,2,1,0.469,71,117,459.382,2.467,6,0.342,0.62,1.0,0.34012404907134536,0.23435679528476458,0.06180179562744157,0.038062846960455074,0.16858637173600163
EOS-2-12892,COc1cc(-c2nnc3cncc(OCc4nnnn4-c4ccon4)n23)ccc1-c1ncon1,MLUKOGWYBLXVGG-UHFFFAOYSA-N,2,1,0.412,56,375,459.386,1.393,6,0.336,0.61,1.0,0.32040298814337603,0.16537591666095539,0.019832430950585976,0.013741347405935165,0.12983817079021312
EOS-2-12893,N#Cc1cc(F)cc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(F)nc5)n4)n23)c1,MPGHVUCLJWSMNP-UHFFFAOYSA-N,2,1,0.511,59,71,459.391,4.116,5,0.365,0.66,1.0,0.7913182783907888,0.8743746144883833,0.9284918785552738,0.922169488040573,0.8790885648687548
EOS-2-12894,Fc1cc(F)c(F)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1,FGRMLRPXXNQPGW-UHFFFAOYSA-N,2,1,0.311,3,150,459.391,4.716,6,0.355,0.71,1.0,0.1218302378178329,0.3504129257761634,0.9258446987869234,0.9241313138235899,0.5805547940511274
EOS-2-12895,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5F)c4)n23)cc1,QWFXTNMLIKSGND-UHFFFAOYSA-N,2,1,0.329,3,673,459.391,4.716,6,0.379,0.74,1.0,0.06401206223014187,0.20448392844904392,0.8553303406209307,0.896999862929203,0.5052065485573298
EOS-2-12896,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)cn5)c4)n23)c(F)c1,NOGXAAQGVPOQHB-UHFFFAOYSA-N,2,1,0.529,59,89,459.391,4.116,5,0.39,0.67,1.0,0.952470701117127,0.9516996778836269,0.9547752038928107,0.9471249400315263,0.9515176307312727
EOS-2-12897,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cn2)cc1F,VRHUZEBQRPCNCZ-UHFFFAOYSA-N,2,1,0.309,45,673,459.395,3.846,6,0.43,0.66,1.0,0.06042252073195806,0.31157048865739156,0.8598622438489479,0.8734922212322664,0.5263368686176411
EOS-2-12898,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)n(C)n1,GXVCSIOKAYXKKI-UHFFFAOYSA-N,2,1,0.378,71,292,459.405,2.302,6,0.377,0.61,1.0,0.49772119799876635,0.5063138235898842,0.10237475155918031,0.09906791857994654,0.30136942293194435
EOS-2-12899,Fc1ccc(-c2ccc(-c3nnc4cncc(OC5COc6ccccc6O5)n34)cc2F)cn1,MVLQNZFHRYQODM-UHFFFAOYSA-N,2,1,0.446,1,111,459.412,4.308,6,0.371,0.61,1.0,0.9660578438763622,0.9048557329860873,0.94960934822836,0.9250137070797066,0.9363841580426291
EOS-2-12900,Cc1coc(-c2ccc(-c3nnc4cncc(OCc5nc(C(F)(F)F)cs5)n34)cn2)n1,NXWLQOVDNAOQCZ-UHFFFAOYSA-N,2,1,0.488,27,786,459.413,4.204,5,0.385,0.72,0.999,0.630080186416284,0.6819614831060242,0.6597817147556713,0.439962990884792,0.6029465937906929
EOS-2-12901,COc1c[nH]nc1-c1ccc(-c2nnc3cncc(-c4cc5cc(F)cnc5n4C)n23)c(F)n1,SEHLPCXXXBYYTB-UHFFFAOYSA-N,2,1,0.312,50,155,459.42,3.417,6,0.402,0.46,0.112,0.42624734425330685,0.5380971146597218,0.4262559111781235,0.4148619011719553,0.45136556781577686
EOS-2-12902,Cc1cc(-c2ccc(-c3nnc4cncc(-c5oc(-c6nncn6C)cc5F)n34)c(F)c2)n[nH]1,LQXXJRIZYABDKU-UHFFFAOYSA-N,2,1,0.289,22,314,459.42,3.824,6,0.426,0.67,0.646,0.22715201151394696,0.3216965937906929,0.47285141525597973,0.4866698649852649,0.37709247138647106
EOS-2-12903,COc1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(OC)c4)n23)ncc1F,FBTWBKVYHXZAPP-UHFFFAOYSA-N,2,1,0.484,16,83,459.441,3.379,5,0.362,0.58,1.0,0.7388886985127818,0.6380302926461517,0.6788002878486739,0.46536392296621204,0.6302708004934547
EOS-2-12904,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)c(F)cc1-c1ccsc1,UYJRJPPIFLQDPK-UHFFFAOYSA-N,2,1,0.312,42,572,459.441,4.91,6,0.37,0.68,1.0,0.3306061956000274,0.43525974916044136,0.7742358303063532,0.7981889520937564,0.5845726817901447
EOS-2-12905,COc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2O)n1,FZXITBCMKVOUOB-UHFFFAOYSA-N,2,1,0.489,35,619,459.441,3.118,5,0.391,0.56,1.0,0.9062178740319375,0.7391371393324652,0.514623740662052,0.3928534713179357,0.6382080563360977
EOS-2-12906,Cn1cc(-c2cc(CCOc3cncc4nnc(-c5cccc([N+](=O)[O-])c5)n34)ccc2F)cn1,WFHAHFDMMKFIGZ-UHFFFAOYSA-N,2,1,0.644,91,309,459.441,3.861,5,0.268,0.69,1.0,0.7481409773147831,0.435268316085258,0.6156363511753821,0.3900435199780687,0.547272291138373
EOS-2-12907,Cn1nc(-c2nnc3cncc(OCCc4ccc([N+](=O)[O-])cc4)n23)cc1-c1ccc(F)cc1,UBHOATXTLKOIML-UHFFFAOYSA-N,2,1,0.593,19,266,459.441,3.861,5,0.268,0.81,1.0,0.6389298197519019,0.35042149270098005,0.4658094030566788,0.3036974847508738,0.4397145500651086
EOS-2-12908,Fc1cnc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cs2)cc1F,SHBXJMKRCXKWKZ-UHFFFAOYSA-N,2,1,0.333,32,126,459.441,4.91,6,0.37,0.72,1.0,0.3655335480775821,0.4973870879309163,0.6950003426769926,0.7181396066068124,0.5690151463230759
EOS-2-12909,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)c6)o5)n34)s2)nc1,QGQHNGVMWRAGOR-UHFFFAOYSA-N,2,1,0.325,76,541,459.441,4.91,6,0.37,0.76,0.999,0.1995665136042766,0.31670207662257555,0.5247155780960866,0.6324617915153177,0.41836148995956407
EOS-2-12910,COc1nc(-c2nnc3cncc(OCc4ncc(O)cc4F)n23)ccc1-c1ncccc1C,VMILOVQUENUYOI-UHFFFAOYSA-N,2,1,0.41,49,501,459.441,3.384,5,0.407,0.59,0.842,0.5541515317661572,0.47907100267288055,0.32275032554314304,0.21748852032074567,0.3933653450757316
EOS-2-12911,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)s4)n23)c(F)c1,DUCCHLLIQIMQHN-UHFFFAOYSA-N,2,1,0.296,64,449,459.441,4.91,6,0.37,0.63,0.948,0.3794033993557673,0.4438438078267425,0.6097251730518813,0.6848485367692413,0.529455229250908
EOS-2-12912,Cn1nncc1-c1cc(-c2nnc3cncc(OCC4COc5ccccc5O4)n23)ccc1F,WMPMODVKLCQDNE-UHFFFAOYSA-N,2,1,0.452,15,309,459.441,2.945,6,0.395,0.67,1.0,0.7388972654375985,0.7160321431019121,0.6484305393735864,0.5906894661092454,0.6735123535055856
EOS-2-12913,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(OC)n4)n23)ccc1-c1ccncn1,FQCNCCOOCLBXMW-UHFFFAOYSA-N,2,1,0.484,4,61,459.441,3.379,5,0.362,0.67,1.0,0.8209855390309094,0.7296621204852306,0.5383541224042218,0.3254232060859434,0.6036062470015763
EOS-2-12914,COc1ncccc1COc1cncc2nnc(-c3ccc(F)c(-c4cnn(C)c(=O)c4)c3)n12,VVMUICSSYLJDSP-UHFFFAOYSA-N,2,1,0.495,16,605,459.441,2.674,5,0.381,0.72,1.0,0.5439054896854225,0.4745305325200466,0.47596977588924677,0.357463504900281,0.4629673257487492
EOS-2-12915,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4cccs4)s3)n12,GEUMLIBVVKPLFX-UHFFFAOYSA-N,2,1,0.28,76,126,440.557,5.649,6,0.355,0.68,0.952,0.04277465560962237,0.05329483928449044,0.28274278664930436,0.38332705092180114,0.1905348331163046
EOS-2-12916,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)s4)n23)cc1,VKWDZLAEUIILPG-UHFFFAOYSA-N,2,1,0.329,38,983,440.557,5.649,6,0.355,0.62,1.0,0.1604242341169214,0.11470255637036529,0.5247241450209033,0.5257521759989034,0.33140077787677336
EOS-2-12917,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)c6)o5)n34)cc2)cc1,AFDNOGNHGSCGPK-UHFFFAOYSA-N,2,1,0.418,93,107,459.444,5.186,6,0.357,0.77,1.0,0.3279761496813104,0.5909293400041121,0.8425227880200123,0.8760965663765334,0.6593812110204921
EOS-2-12918,Fc1ccc(F)c(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)c1,NWWMDPRYCNBBKQ-UHFFFAOYSA-N,2,1,0.325,3,158,459.445,3.836,6,0.395,0.74,0.868,0.04864299910903982,0.29139538071413884,0.37123055308066616,0.49588787608799945,0.3017892022479611
EOS-2-12919,COCCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)ncn2)cn1,OGAGQBRNPGMGDS-UHFFFAOYSA-N,2,1,0.35,31,113,459.445,2.34,5,0.319,0.59,0.971,0.39716263450071965,0.2805839215955041,0.20710540744294428,0.1618035090124049,0.2616638681378932
EOS-2-12920,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)c(F)c1,LLRHRCAYDVRDQE-UHFFFAOYSA-N,2,1,0.325,3,158,459.445,3.836,6,0.395,0.7,1.0,0.05698718388047427,0.259980467411418,0.3712391200054828,0.4958964430128161,0.2960258035775478
EOS-2-12921,COc1nc(-c2cnc(F)cn2)ccc1-c1nnc2cncc(OCCc3cnncc3C)n12,LACPTNRLTOBEFS-UHFFFAOYSA-N,2,1,0.457,65,456,459.445,2.511,5,0.358,0.57,0.996,0.6598845178534714,0.5615447878829415,0.17014769378383934,0.10741210335138099,0.3747472757179083
EOS-2-12922,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)sc1F,JCQGWDPFOMHUOR-UHFFFAOYSA-N,2,1,0.333,98,154,459.445,4.04,6,0.424,0.64,0.999,0.26491501610581863,0.37932629703241727,0.5553337673908574,0.5815742581043108,0.445287334658351
EOS-2-12923,Fc1cccc(-c2nnsc2-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)c1,SPOOOOCGUHBRHQ-UHFFFAOYSA-N,2,1,0.33,10,783,459.445,3.836,6,0.395,0.68,0.996,0.008909601809334521,0.11768384620656569,0.3409807415530121,0.5492084161469399,0.25419565142896305
EOS-2-12924,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C6COC6)c5)nn4)n23)nc1,BRXRXVDLFQFZPW-UHFFFAOYSA-N,2,1,0.42,53,44,459.445,2.172,6,0.361,0.6,0.844,0.37710746350490026,0.22451339867041326,0.12194160784044959,0.1512404907134535,0.21870074018230415
EOS-2-12925,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5nn(C)c(=O)cc5C)c(F)n4)n23)n1,NNOPPGOXOZNVES-UHFFFAOYSA-N,2,1,0.346,31,223,459.445,2.072,5,0.363,0.69,0.998,0.33299636762387774,0.2705177849359194,0.06994037420327599,0.049782400109656635,0.18080923171818244
EOS-2-12926,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)cc1F,LUHINZUUNJBLBM-UHFFFAOYSA-N,2,1,0.313,3,158,459.445,3.836,6,0.395,0.64,1.0,0.05505105887190734,0.2651720238503187,0.47978205743266394,0.5875968062504283,0.34690048660132955
EOS-2-12927,N#Cc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)[nH]2)cc1F,PNXUILBKOWPKHN-UHFFFAOYSA-N,2,1,0.28,30,737,459.448,4.316,6,0.417,0.73,0.977,0.21881639366732916,0.3357120827907614,0.7211037625933795,0.7819888972654376,0.5144052840792269
EOS-2-12928,N#Cc1cc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)cn2)ccn1,AOIYSQBFPYDAQO-UHFFFAOYSA-N,2,1,0.33,3,317,459.448,4.112,6,0.39,0.66,0.999,0.007735933109451031,0.21921903913371257,0.7287197587553972,0.7498286615036667,0.42637584812555684
EOS-2-12929,N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCc5nc(-c6cccs6)no5)n34)c2)o1,SGYGBIJIXBSGIZ-UHFFFAOYSA-N,2,1,0.46,40,506,459.451,2.944,6,0.382,0.54,1.0,0.4034593242409705,0.3115790555822082,0.05973716674662463,0.04704098416832294,0.20545413268453158
EOS-2-12930,Cc1nc(-c2cc(COc3cncc4nnc(-c5cccc(-c6csnn6)c5)n34)on2)no1,UPVICKHHLZJZBW-UHFFFAOYSA-N,2,1,0.473,71,2,459.451,3.235,6,0.362,0.58,1.0,0.3562555685011308,0.3308460694948941,0.0597457336714413,0.059454458227674596,0.2015754574737852
EOS-2-12931,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6nccs6)no5)n34)cn2)nn1,QCSUMPFGOKLBOC-UHFFFAOYSA-N,2,1,0.414,80,816,459.455,2.067,6,0.36,0.65,1.0,0.294770749091906,0.3064389006922075,0.010528750599684738,0.006930642176684257,0.15466726064012062
EOS-2-12932,FC(F)Oc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nc1,CPGGENHHZBGVPN-UHFFFAOYSA-N,2,1,0.704,79,824,459.456,5.076,5,0.322,0.81,1.0,0.9586902885340278,0.9464053183469262,0.9127116030429717,0.8789664861901172,0.9241934240285108
EOS-2-12933,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnc5)cc4)n23)cc1,HQJNUYVYEBMGPR-UHFFFAOYSA-N,2,1,0.784,1,640,459.456,5.076,5,0.322,0.84,1.0,0.9870382427523816,0.9831916935096977,0.942310328284559,0.9144849564800219,0.956756305256665
EOS-2-12934,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccccn5)cc4)n23)cc1F,OFMBZWUFJBSXSD-UHFFFAOYSA-N,2,1,0.723,91,397,459.456,4.665,5,0.336,0.74,1.0,0.959949626482078,0.9528904804331437,0.9039219381810705,0.8573521348776643,0.9185285449934891
EOS-2-12935,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)nc4)n23)cc1,UIAKBVLKRCAYPC-UHFFFAOYSA-N,2,1,0.763,79,640,459.456,5.076,5,0.322,0.81,1.0,0.9875865259406483,0.9799705297786306,0.9080940305667877,0.8761051333013501,0.9379390548968543
EOS-2-12936,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)ccc1-c1ccc(F)nc1,VJRPDSJUQVDGFR-UHFFFAOYSA-N,2,1,0.684,91,955,459.456,4.762,5,0.327,0.7,1.0,0.9748903433623467,0.9414622027277089,0.9145963265026387,0.8688061133575492,0.9249387464875609
EOS-2-12937,CCOc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ccc(F)cc1,DIRRKWYLBRHARE-UHFFFAOYSA-N,2,1,0.56,57,326,459.456,5.109,5,0.337,0.74,1.0,0.9403913371256254,0.8851261051333014,0.9157100267288054,0.8817421698307175,0.9057424097046125
EOS-2-12938,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccn1,RRUDCHNYLVHRKA-UHFFFAOYSA-N,2,1,0.607,59,294,459.46,4.371,5,0.372,0.69,1.0,0.7714430128161195,0.6819700500308409,0.642536495099719,0.5782845589747104,0.6685585292303474
EOS-2-12939,CN(C)Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)nc1,SZVADDKLIDJEIX-UHFFFAOYSA-N,2,1,0.456,13,145,459.46,4.38,5,0.373,0.75,1.0,0.6932526900143924,0.6771297375094236,0.767510794325269,0.6642022479610719,0.7005238674525391
EOS-2-12940,CCc1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1nccc(F)n1,JTVJNSOPIUSLLW-UHFFFAOYSA-N,2,1,0.505,11,159,459.46,4.105,5,0.338,0.64,0.998,0.7568021383044342,0.7654890000685354,0.42265780275512305,0.4431841546158591,0.5970332739359879
EOS-2-12941,CCc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cn1,KFFWUBREXMVVOX-UHFFFAOYSA-N,2,1,0.607,59,294,459.46,4.371,5,0.372,0.79,1.0,0.8080751833321911,0.8111421424165581,0.6330871770269344,0.5719878692344595,0.7060730930025358
EOS-2-12942,CCc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccc(F)nc1,IKQWFGKJOOLPJE-UHFFFAOYSA-N,2,1,0.429,18,161,459.46,4.105,5,0.338,0.63,1.0,0.7240336508806798,0.6919076828181756,0.6036426564320472,0.5655284079226921,0.6462780995133987
EOS-2-12943,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nc(C)no5)c(OC)c4)n23)n1,RLPXRCMZWKLFJZ-UHFFFAOYSA-N,2,1,0.479,15,771,459.466,3.183,5,0.342,0.72,1.0,0.4443749571653759,0.14244225892673565,0.15423891439928722,0.05505962579672401,0.19902893907203068
EOS-2-12944,COc1cc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)ccc1-c1c(C)oc(=O)n1C,DLVNUGNAXPIMAT-UHFFFAOYSA-N,2,1,0.463,72,458,459.466,2.744,5,0.377,0.47,1.0,0.2541549585360839,0.18656192173257488,0.11894318415461586,0.049790967034473305,0.15236275786443695
EOS-2-12945,COc1cc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1-c1c(C)oc(=O)n1C,BIVKCAMRFZBKKF-UHFFFAOYSA-N,2,1,0.464,15,458,459.466,2.479,5,0.361,0.54,1.0,0.34720889589472964,0.2296364197107806,0.09492152696867932,0.05102460420807347,0.18069786169556573
EOS-2-12946,CCOc1ncccc1COc1cncc2nnc(-c3ccc(-c4noc(C)n4)c(OC)c3)n12,LHJQDSZXAQUQCK-UHFFFAOYSA-N,2,1,0.453,15,248,459.466,3.531,5,0.34,0.76,1.0,0.3863426084572682,0.1906569117949421,0.1736172983345898,0.061013638544308135,0.20290761428277704
EOS-2-12947,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1c(C)oc(=O)n1C,SFARDZNBVMMKKE-UHFFFAOYSA-N,2,1,0.506,15,458,459.466,2.479,5,0.361,0.55,1.0,0.3840552395312179,0.14600609965046946,0.14223665273113564,0.07490919059694331,0.18680179562744156
EOS-2-12948,CC#Cc1ccc(COc2cncc3nnc(-c4cccc(-c5cnn(CC)c5)c4)n23)s1,YQOQWWQMLJWPGK-UHFFFAOYSA-N,2,1,0.473,15,506,440.532,4.687,5,0.358,0.67,1.0,0.1938780755260092,0.21425022274004524,0.5146323075868686,0.3833356178466178,0.3265240559248852
EOS-2-12949,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(F)cc(-c6nncs6)c5)n34)o2)n1C,JAQWVAUIDDNAHY-UHFFFAOYSA-N,2,1,0.259,99,794,459.47,3.813,6,0.391,0.57,0.346,0.07165375916660956,0.1780378315399904,0.13301864162840107,0.18076211363169076,0.14086808649167293
EOS-2-12950,CCOCc1nc(-c2cccc(-c3nnc4cncc(OCc5cncc(OC)n5)n34)c2)n[nH]1,ZEUHDNAMELBVFX-UHFFFAOYSA-N,2,1,0.39,15,921,459.47,2.49,5,0.35,0.61,1.0,0.34253992186964566,0.25998903433623466,0.06994894112809266,0.0327599204989377,0.17630945445822768
EOS-2-12951,N#Cc1cccc(F)c1CCOc1cncc2nnc(-c3ccnc(-c4n[nH]c(=N)s4)c3)n12,VNVCXIABOVSEAC-UHFFFAOYSA-N,2,1,0.573,84,583,459.47,2.75,5,0.398,0.51,0.998,0.7240422178054965,0.6003101226783634,0.4044873552189706,0.38334418477143445,0.5280459701185662
EOS-2-12952,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncnn5C5CCOC5)nc4)n23)no1,OVOSACJNZKTTMB-UHFFFAOYSA-N,2,1,0.425,31,986,459.47,2.324,6,0.357,0.62,0.993,0.2566565005825509,0.10186073607018024,0.005037351792200672,0.007453224590500994,0.09275195325885821
EOS-2-12953,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnnn5C)c(OC)c4)n23)n1,UFKAVJQVAPWJLV-UHFFFAOYSA-N,2,1,0.452,20,638,459.47,2.015,5,0.34,0.69,1.0,0.25959495579466796,0.08284216297717771,0.10515900212459735,0.041917963127955586,0.12237852100609965
EOS-2-12954,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nn5)n34)cn2)cc1,ZEBJGUAOQRENNZ-UHFFFAOYSA-N,2,1,0.426,28,363,459.473,3.679,6,0.368,0.65,1.0,0.4375985196353917,0.36013638544308135,0.367341169213899,0.35121821670893016,0.37907357275032555
EOS-2-12955,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cn2)cc1,AZNXYCMENHPDIV-UHFFFAOYSA-N,2,1,0.398,28,868,459.473,3.679,6,0.368,0.66,1.0,0.412291823726955,0.360144952367898,0.3712476869302995,0.35747207182509766,0.3752891337125625
EOS-2-12956,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)c6ccccc6)cc5)n34)cn2)n1,YUJNLAHUSSXHMM-UHFFFAOYSA-N,2,1,0.341,30,791,459.473,3.275,6,0.361,0.74,1.0,0.16043280104173807,0.09572681790144609,0.2317695839901309,0.24384038105681585,0.18294239599753273
EOS-2-12957,COc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nc2)ccn1,WTOFLCFKWVTVFW-UHFFFAOYSA-N,2,1,0.289,70,957,459.473,3.776,6,0.38,0.65,1.0,0.297400795010623,0.1615122335686382,0.4186998834898225,0.3319940374203276,0.3024017373723528
EOS-2-12958,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)nc1,YZQFSKJQTJHUFV-UHFFFAOYSA-N,2,1,0.451,40,621,459.473,3.679,6,0.368,0.69,1.0,0.5515643204715236,0.4395003769446919,0.40449592214378727,0.3642056747309986,0.4399415735727503
EOS-2-12959,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cn2)nc1,GHHHOIIBLCZCHM-UHFFFAOYSA-N,2,1,0.489,28,297,459.473,3.679,6,0.368,0.65,1.0,0.41230039065177165,0.3887413474059352,0.23897436776094852,0.20870742238366116,0.31218088205057914
EOS-2-12960,c1cncc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)c1,BWXIESJDBSZYJL-UHFFFAOYSA-N,2,1,0.489,40,868,459.473,3.679,6,0.368,0.64,1.0,0.48039887601946407,0.4305051058871907,0.40804262901788774,0.36756390925913235,0.4216276300459187
EOS-2-12961,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cc2)nc1,PEFKNUOSZRNEDH-UHFFFAOYSA-N,2,1,0.517,81,609,459.473,3.679,6,0.368,0.7,1.0,0.4781714755671304,0.3933075183332191,0.31912651634569256,0.27337057089986977,0.36599402028647793
EOS-2-12962,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cc2)c1,XVRGJXJGCGVDSD-UHFFFAOYSA-N,2,1,0.478,40,355,459.473,3.679,6,0.368,0.63,1.0,0.4631108217394284,0.412497429922555,0.4728599821807964,0.42770372147214036,0.44404298882873006
EOS-2-12963,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cnccn6)n5)n34)cn2)cc1,PEWBWXWJBYFKAQ-UHFFFAOYSA-N,2,1,0.402,28,147,459.473,3.679,6,0.368,0.61,1.0,0.48547906243574807,0.42161263792748954,0.26386128435336853,0.2618137893221849,0.3581916935096978
EOS-2-12964,c1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nc5)n34)ccn2)nc1,LWAQRSVSNGMDTD-UHFFFAOYSA-N,2,1,0.489,28,297,459.473,3.679,6,0.368,0.66,1.0,0.4804074429442807,0.29648413405523955,0.437307244191625,0.367572476183949,0.39544282434377354
EOS-2-12965,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnn6)cc5)n34)nc2)c1,QJOIOLQTWGPGBJ-UHFFFAOYSA-N,2,1,0.548,40,25,459.473,3.679,6,0.368,0.7,1.0,0.4952110890274827,0.3647539579192653,0.5109313960660681,0.45923857172229454,0.4575337536837776
EOS-2-12966,COc1nc(-c2cnccn2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cc3)n12,UMYSIEDLKDQZMO-UHFFFAOYSA-N,2,1,0.313,42,171,459.473,3.776,6,0.38,0.68,1.0,0.3103282845589747,0.14601466657528614,0.39359022685216916,0.33522376807621135,0.2962892365156603
EOS-2-12967,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)nn5)n34)cc2)nc1,LGMHXQVJUGKCKJ-UHFFFAOYSA-N,2,1,0.511,81,120,459.473,3.679,6,0.368,0.69,1.0,0.4443835240901926,0.3933160852580358,0.2638698512781852,0.2558340758001508,0.33935088410664105
EOS-2-12968,c1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)nc1,WZWGPLFWBULZFF-UHFFFAOYSA-N,2,1,0.5,40,355,459.473,3.679,6,0.368,0.58,1.0,0.4804160098690974,0.41250599684737166,0.31551127407305873,0.2733791378246864,0.3704531046535535
EOS-2-12969,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nc2)nc1,SJEWTRYIXNCULQ-UHFFFAOYSA-N,2,1,0.535,40,868,459.473,3.679,6,0.368,0.69,1.0,0.4952196559522994,0.4305136728120074,0.4410766911109588,0.3802172572133507,0.43675681927215404
EOS-2-12970,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nn2)c1,JWABCSOXNKXQNV-UHFFFAOYSA-N,2,1,0.478,40,25,459.473,3.679,6,0.368,0.68,1.0,0.4328267425125077,0.40313378109793707,0.45546912480296076,0.4179545610307724,0.4273460523610445
EOS-2-12971,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nn5)n34)nc2)c1,JNSZSXABCUKZDU-UHFFFAOYSA-N,2,1,0.442,28,280,459.473,3.679,6,0.368,0.7,1.0,0.3747943938044,0.30132444657665686,0.359913645397848,0.3414690562675622,0.3443753855116167
EOS-2-12972,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cc2)nc1,SDRSAMHIEISRLM-UHFFFAOYSA-N,2,1,0.5,40,355,459.473,3.679,6,0.368,0.66,1.0,0.47557569734768007,0.39332465218285245,0.41870845041463917,0.3705366321705161,0.41453635802892197
EOS-2-12973,COc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cn1,WXLFVBGTFXXOQS-UHFFFAOYSA-N,2,1,0.325,42,762,459.473,3.776,6,0.38,0.76,1.0,0.307638270166541,0.18212425467754095,0.35247755465698033,0.26182235624700156,0.27601560893701593
EOS-2-12974,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccncc6)cn5)n34)cc2)nc1,HOHUSCYEOUTULX-UHFFFAOYSA-N,2,1,0.458,40,518,459.473,3.679,6,0.368,0.69,1.0,0.5204663833870194,0.46156877527242823,0.35992221232266464,0.3069786169556576,0.4122339969844425
EOS-2-12975,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(C7CC7)no6)nn5)n34)cc2)nc1,WRSVFCRKOLHIFA-UHFFFAOYSA-N,2,1,0.312,38,270,459.473,4.238,7,0.373,0.73,1.0,0.1496727434720033,0.12470872455623329,0.03778870536632171,0.11911452265094921,0.10782117401137689
EOS-2-12976,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ncccn6)n5)n34)cn2)cc1,YDXKICZKHIFCBD-UHFFFAOYSA-N,2,1,0.394,28,363,459.473,3.679,6,0.368,0.61,1.0,0.4879206360084984,0.4216212048523062,0.19649955451990953,0.20591460489342744,0.32798900006853543
EOS-2-12977,c1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)c1,FYLOCARMRIOFCR-UHFFFAOYSA-N,2,1,0.426,28,280,459.473,3.679,6,0.368,0.71,1.0,0.35393393187581385,0.2914039476389555,0.4080511959427044,0.36758104310876566,0.35524252964155983
EOS-2-12978,c1cc(COc2cncc3nnc(-c4ccnc(-c5ccncn5)c4)n23)cc(-c2cncnc2)c1,SRERBBKXYYOBOI-UHFFFAOYSA-N,2,1,0.478,28,868,459.473,3.679,6,0.368,0.66,1.0,0.5491827153724899,0.36476252484408195,0.5383626893290384,0.47465046946747996,0.4817395997532725
EOS-2-12979,c1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)c1,ZLRXTBNHBGRQGR-UHFFFAOYSA-N,2,1,0.494,40,355,459.473,3.679,6,0.368,0.71,1.0,0.49522822287711604,0.4305222397368241,0.4150075388938387,0.36421424165581523,0.4262430607908985
EOS-2-12980,c1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,YWJFAHPPOYZNLU-UHFFFAOYSA-N,2,1,0.443,28,297,459.473,3.679,6,0.368,0.69,1.0,0.5287591666095538,0.4260160372832568,0.3079038448358577,0.27338770474950314,0.38401668836954284
EOS-2-12981,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4ncc(-c5cccnc5)nn4)n23)cc1,UWUJZMHRFPAFLO-UHFFFAOYSA-N,2,1,0.413,28,797,459.473,3.679,6,0.368,0.65,1.0,0.34492152696867934,0.2964927009800562,0.20355013364402713,0.2438489479816325,0.2722033273935988
EOS-2-12982,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cccnc6)cn5)n34)cn2)nc1,HOHJFLDXLJRGFD-UHFFFAOYSA-N,2,1,0.494,28,297,459.473,3.679,6,0.368,0.72,1.0,0.4656380645603454,0.38874991433075184,0.32636556781577686,0.2882513193064218,0.367251216503324
EOS-2-12983,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccnnc6)cn5)n34)cn2)cc1,GVQPPYISZQEYPU-UHFFFAOYSA-N,2,1,0.421,28,363,459.473,3.679,6,0.368,0.67,1.0,0.42864608320197384,0.3504300596257967,0.3862569392091015,0.3610102117743815,0.3815858234528134
EOS-2-12984,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nn2)nc1,NPHJOVKAAFGREQ-UHFFFAOYSA-N,2,1,0.472,40,25,459.473,3.679,6,0.368,0.66,1.0,0.5028527859639503,0.4702556370365294,0.27883626893290386,0.30054485641834006,0.3881223870879309
EOS-2-12985,c1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)nc1,SSPYYYIPTLYKSH-UHFFFAOYSA-N,2,1,0.5,28,414,459.473,3.679,6,0.368,0.65,1.0,0.47308272222602976,0.4172092385717223,0.2710746350490028,0.2438575149064492,0.35130602768830105
EOS-2-12986,COc1cncc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)n1,IKNNTZNTSDNRNY-UHFFFAOYSA-N,2,1,0.315,38,983,459.473,3.776,6,0.38,0.71,1.0,0.4055753546706874,0.21922760605852923,0.26387841820300184,0.23505071619491466,0.28093302378178325
EOS-2-12987,c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nn5)n34)n2)nc1,ZSDLXLFURZDLIZ-UHFFFAOYSA-N,2,1,0.456,28,984,459.473,3.679,6,0.368,0.71,1.0,0.340132615996162,0.26518059077513534,0.2566307998081009,0.2495459529847166,0.27787248989102875
EOS-2-12988,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cccnn6)n5)n34)cn2)cc1,XSKGIRTYQTVUPU-UHFFFAOYSA-N,2,1,0.385,28,363,459.473,3.679,6,0.368,0.7,1.0,0.48042457679391404,0.4031423480227537,0.24970015763141662,0.2618309231718182,0.3487745014049757
EOS-2-12989,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)c1,FVNABYYSVNFICN-UHFFFAOYSA-N,2,1,0.459,41,621,459.473,3.679,6,0.368,0.7,1.0,0.564988691659242,0.4615773421972449,0.4588016585566445,0.4214412994311562,0.4767022479610719
EOS-2-12990,c1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cc(-c2cncnc2)c1,SDUOCVCXYBCUID-UHFFFAOYSA-N,2,1,0.409,80,280,459.473,3.679,6,0.368,0.73,1.0,0.4730912891508464,0.3308546364197108,0.5038551161675006,0.4528476458090604,0.4401621718867796
EOS-2-12991,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cn2)c1,ULODJOJMCJYWHF-UHFFFAOYSA-N,2,1,0.473,28,218,459.473,3.679,6,0.368,0.71,1.0,0.4262559111781235,0.3887584812555685,0.3409893084778288,0.3102511822356247,0.3665637207867864
EOS-2-12992,c1cc(C2CC2)nc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)n1,NCVNIMCQDDVOCL-UHFFFAOYSA-N,2,1,0.276,42,983,459.473,4.238,7,0.373,0.59,1.0,0.22984202590638064,0.11769241313138236,0.13018298951408402,0.2202984716606127,0.17450397505311493
EOS-2-12993,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cncnc6)c5)n34)cn2)nc1,SYKIQYLDSNBSRD-UHFFFAOYSA-N,2,1,0.429,28,297,459.473,3.679,6,0.368,0.65,1.0,0.5564903022411075,0.4260246042080735,0.43731581111644163,0.3772274004523336,0.44926452950448903
EOS-2-12994,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cc2)ccn1,OFACYVHUSGODQN-UHFFFAOYSA-N,2,1,0.467,40,355,459.473,3.679,6,0.368,0.62,1.0,0.4539870468096772,0.417217805496539,0.4867898019326982,0.43702453567267496,0.4487547974778973
EOS-2-12995,c1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)nc1,JYDYHYKCGJGDLS-UHFFFAOYSA-N,2,1,0.547,40,120,459.473,3.679,6,0.368,0.72,1.0,0.505362894935234,0.4352768830100747,0.2497087245562333,0.21491844287574532,0.35131673634432187
EOS-2-12996,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncccn6)n5)n34)nc2)cc1,INIBYGYLSNLVCU-UHFFFAOYSA-N,2,1,0.43,28,414,459.473,3.679,6,0.368,0.7,1.0,0.3993043657048866,0.2914125145637722,0.23177815091494758,0.24955451990953328,0.2930123877732849
EOS-2-12997,COc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)cn1,CYYCVWPCECOOSD-UHFFFAOYSA-N,2,1,0.329,9,98,459.473,3.776,6,0.38,0.76,1.0,0.34014118292097867,0.1539562058803372,0.47979062435748066,0.404941402234254,0.3447073538482627
EOS-2-12998,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cccnn6)c5)n34)cn2)cc1,YWABKXMXSZRVRB-UHFFFAOYSA-N,2,1,0.435,81,363,459.473,3.679,6,0.368,0.6,1.0,0.5760400246727435,0.4077599204989377,0.35993077924748135,0.36101877869919813,0.42618737577959015
EOS-2-12999,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccnnc6)n5)n34)cc2)nc1,DNTSEUXPCYXXPE-UHFFFAOYSA-N,2,1,0.478,40,120,459.473,3.679,6,0.368,0.66,1.0,0.4078455897471044,0.36015351929271466,0.41122095812487147,0.38022582413816736,0.3898614728257145
EOS-2-13000,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccncn6)cn5)n34)cc2)nc1,HXNAZBPPWAITEC-UHFFFAOYSA-N,2,1,0.419,28,414,459.473,3.679,6,0.368,0.77,1.0,0.6189174833801658,0.3793348639572339,0.4187170173394558,0.3512267836337468,0.4420490370776506
EOS-2-13001,c1cnnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)c1,YKFMYXPYCVUYKR-UHFFFAOYSA-N,2,1,0.495,40,25,459.473,3.679,6,0.368,0.71,1.0,0.4237372352820232,0.42603317113289013,0.33724556233294495,0.32543177301076004,0.3781119354396546
EOS-2-13002,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cccnn6)n5)n34)cc2)nc1,YHEDPFBAQGTJGB-UHFFFAOYSA-N,2,1,0.511,81,120,459.473,3.679,6,0.368,0.68,1.0,0.4349513398670413,0.3933332191076691,0.2788448358577205,0.2678791720923857,0.34375214173120416
EOS-2-13003,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnncn6)cc5)n34)cc2)nc1,PQBSENFLLBRXHN-UHFFFAOYSA-N,2,1,0.512,77,245,459.473,3.679,6,0.368,0.67,1.0,0.7451082859296827,0.46158590912206154,0.5038636830923172,0.4370331025974916,0.5368977451853882
EOS-2-13004,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)ccc1=O,IIZBNBNGUADCQN-UHFFFAOYSA-N,2,1,0.286,38,608,459.473,3.071,6,0.395,0.6,1.0,0.14654581591391955,0.09869954081282983,0.2638869851278185,0.252630045918717,0.19044059694332122
EOS-2-13005,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cn5)n34)cc2)cn1,ALYHBZBDIBCSGG-UHFFFAOYSA-N,2,1,0.562,41,621,459.473,3.679,6,0.368,0.66,1.0,0.4928209170036324,0.4352854499348914,0.5780618189294771,0.5026300459187171,0.5021995579466795
EOS-2-13006,c1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)n2)c1,OPLHLUURSNGCCH-UHFFFAOYSA-N,2,1,0.478,28,868,459.473,3.679,6,0.368,0.64,1.0,0.434959906791858,0.39334178603248576,0.41501610581865533,0.3642228085806319,0.4018851518059077
EOS-2-13007,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnccn6)cn5)n34)cc2)nc1,TVOSHBRWIXTVRR-UHFFFAOYSA-N,2,1,0.542,40,147,459.473,3.679,6,0.368,0.68,1.0,0.49282948392844905,0.40315091494757044,0.3561613323281475,0.32233911315194297,0.39362021108902745
EOS-2-13008,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccnnc6)n5)n34)cn2)cc1,BIZFRQHHHPNTSX-UHFFFAOYSA-N,2,1,0.398,28,363,459.473,3.679,6,0.368,0.64,1.0,0.4055839215955041,0.33086320334452746,0.37511993694743334,0.36423137550544854,0.36894960934822835
EOS-2-13009,c1cnnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)c1,NGFYQXHWSRHYRS-UHFFFAOYSA-N,2,1,0.484,81,609,459.473,3.679,6,0.368,0.7,0.999,0.41918819820437253,0.38876704818038516,0.42970838187924065,0.3865225138784182,0.4060465355356041
EOS-2-13010,c1cncc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)c1,YYFHYALMOMQHGQ-UHFFFAOYSA-N,2,1,0.424,40,147,459.473,3.679,6,0.368,0.68,1.0,0.5593002535809746,0.48782639983551507,0.352486121581797,0.31632513193064216,0.42898447673223217
EOS-2-13011,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccnnc6)cc5)n34)cn2)nc1,FNOBYQILNQHAHJ-UHFFFAOYSA-N,2,1,0.541,40,2,459.473,3.679,6,0.368,0.67,1.0,0.5964036049619629,0.4260417380577068,0.4481272702350764,0.39005208690288534,0.46515617503940787
EOS-2-13012,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(=N)[nH]c6)nc5)n34)cc2)nn1,XUIGNEIPSHFXOA-UHFFFAOYSA-N,2,1,0.265,42,339,459.477,2.883,6,0.409,0.7,1.0,0.09148619011719553,0.10186930299499691,0.27108320197381947,0.2260725789870468,0.17262781851826467
EOS-2-13013,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(C#N)cn6)c5)n34)cc2)n(C)n1,PSOJHKVBEINTPB-UHFFFAOYSA-N,2,1,0.337,98,882,459.477,3.015,6,0.393,0.71,1.0,0.0077445000342676994,0.08285072990199438,0.23531629086423136,0.22608114591186348,0.13799816667808923
EOS-2-13014,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cncc(C)n6)n5)n34)cc2)cn1,SCVWZGOQCURVSC-UHFFFAOYSA-N,2,1,0.286,86,167,459.477,3.174,6,0.387,0.65,0.792,0.12183880474264958,0.09870810773764649,0.12450311836063327,0.12147899390034952,0.11663225618531972
EOS-2-13015,c1csc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6csnn6)c5)n34)nc2)c1,LOCXTPBSBQZVGS-UHFFFAOYSA-N,2,1,0.283,70,392,440.517,4.495,6,0.398,0.68,1.0,0.01939551778493592,0.06499725858405866,0.33399869782742786,0.3928620382427524,0.20281337810979372
EOS-2-13016,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2)cn1,HUDDHTFROLJWTN-UHFFFAOYSA-N,2,1,0.343,38,865,440.517,4.495,6,0.398,0.65,1.0,0.06231581111644164,0.11770098005619903,0.3155198409978754,0.3610273456240148,0.21414099444863272
EOS-2-13017,c1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cscn6)nc5)n34)s2)ccn1,JPPAELBQEMYAJU-UHFFFAOYSA-N,2,1,0.315,86,557,440.517,4.495,6,0.398,0.65,1.0,0.04278322253443904,0.1177095469810157,0.22433349324926324,0.26788773901720236,0.1631785004454801
EOS-2-13018,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)s5)n34)nc2)c1,WSDVPFRJTFGLHG-UHFFFAOYSA-N,2,1,0.274,76,272,440.517,4.495,6,0.398,0.65,1.0,0.06764443835240902,0.12106778150914947,0.2676478651223357,0.3223476800767596,0.19467694126516344
EOS-2-13019,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)s2)nc1,HYZNJCCECQUSEM-UHFFFAOYSA-N,2,1,0.297,76,368,440.517,4.495,6,0.398,0.68,1.0,0.01763929819751902,0.07943252690014392,0.2243420601740799,0.2795216229182373,0.15023387704749502
EOS-2-13020,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2)c1,YKEJUCCIWOFGIS-UHFFFAOYSA-N,2,1,0.319,38,653,440.517,4.495,6,0.398,0.64,1.0,0.050150777876773356,0.12107634843396614,0.3044685079843739,0.36423994243026525,0.20998389418134467
EOS-2-13021,c1cnnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccsc6)s5)n34)cc2)c1,PYBHCIPUMSIYQA-UHFFFAOYSA-N,2,1,0.307,38,63,440.517,4.495,6,0.398,0.64,1.0,0.0937564251936125,0.12471729148104996,0.18966314851620864,0.26473511068466865,0.16821799396888493
EOS-2-13022,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2)cn1,MBTAMQLSKSSATA-UHFFFAOYSA-N,2,1,0.306,38,865,440.517,4.495,6,0.398,0.64,0.999,0.03985333424713865,0.12472585840586663,0.3712562538551162,0.42144986635597287,0.2393213282160236
EOS-2-13023,c1csc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cscn6)cnn5)n34)cn2)c1,LWCIJHCENORRNF-UHFFFAOYSA-N,2,1,0.29,70,191,440.517,4.495,6,0.398,0.6,0.998,0.05183846206565691,0.15396477280515386,0.28987046809677197,0.335232335001028,0.20772650949215268
EOS-2-13024,c1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)nc1,SUCFXILKPSYOBE-UHFFFAOYSA-N,2,1,0.3,32,368,440.517,4.495,6,0.398,0.64,1.0,0.0889161126721952,0.13499760126105134,0.15136042766088684,0.20592317181824413,0.1452993283530944
EOS-2-13025,c1cnc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cncs6)cs5)n34)cc2)cn1,JIFMMDTYRWWPKI-UHFFFAOYSA-N,2,1,0.338,38,983,440.517,4.495,6,0.398,0.6,1.0,0.11099307792474813,0.17804639846480708,0.24252964155986567,0.2824857789048043,0.2035137242135563
EOS-2-13026,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)nc5)n34)cc2)s1,LIWDTPSMFDZANJ-UHFFFAOYSA-N,2,1,0.293,42,339,440.517,4.495,6,0.398,0.61,1.0,0.07166232609142623,0.12108491535878281,0.35249468850661364,0.40207148242067026,0.23682835309437325
EOS-2-13027,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)s2)nc1,PELWMGRTTJTYLO-UHFFFAOYSA-N,2,1,0.315,32,191,440.517,4.495,6,0.398,0.62,1.0,0.0697005003084093,0.1460232335001028,0.16073264341032142,0.20292474813241038,0.14484528133781097
EOS-2-13028,Fc1cc(-c2cncc3nnc(-c4ccc(Oc5ccccc5)nc4)n23)ccc1-c1ccccc1,MGRSVOQQQJPFGD-UHFFFAOYSA-N,2,1,0.367,21,107,459.484,6.452,6,0.296,0.79,1.0,0.5309522993626208,0.6576057158522377,0.9071174011376876,0.9112038242752382,0.7517198101569461
EOS-2-13029,CCn1cncc1-c1ccncc1-c1nnc2cncc(OCCc3cc(F)ccc3OC)n12,DREBMJMBLDAZPV-UHFFFAOYSA-N,2,1,0.465,26,328,459.485,3.839,5,0.348,0.53,0.99,0.44226749366047563,0.3933503529573025,0.5349102186279213,0.40494996915907067,0.44386950860119256
EOS-2-13030,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)cc5)n34)cn2)cn1,XPBQADCTGYZXFX-UHFFFAOYSA-N,2,1,0.345,69,645,459.488,5.425,6,0.35,0.78,1.0,0.29740936193543965,0.4125145637721883,0.8361746967308615,0.8234014118292098,0.5923750085669248
EOS-2-13031,FCc1cccc(-c2cnncc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,GUYOAZYHXPYXLY-UHFFFAOYSA-N,2,1,0.342,93,651,459.488,5.447,6,0.341,0.66,1.0,0.3253375368377767,0.3064474676170242,0.7464961277499829,0.7750496881639367,0.5383327050921801
EOS-2-13032,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(F)c6)cc5)n34)cc2)nn1,SUMNRHLNSAQDCW-UHFFFAOYSA-N,2,1,0.325,69,538,459.488,5.425,6,0.327,0.75,1.0,0.29477931601672264,0.43053080666164073,0.827367898019327,0.8155541086971421,0.5920580323487081
EOS-2-13033,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1F,UYFNLBOWRNRIQE-UHFFFAOYSA-N,2,1,0.344,41,696,459.488,5.425,6,0.35,0.71,1.0,0.31307826742512507,0.4260503049825235,0.8614128572407649,0.852357617709547,0.6132247618394902
EOS-2-13034,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cn4)n23)c(-c2ccccc2)n1,OPECCWZUQQMYQP-UHFFFAOYSA-N,2,1,0.364,30,93,459.488,5.425,6,0.35,0.71,1.0,0.2596035227194846,0.39827633472688645,0.6625916660955383,0.7208638886985128,0.5103338530601056
EOS-2-13035,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)cc2)nn1,MNKMYMPGFJJQKR-UHFFFAOYSA-N,2,1,0.39,69,538,459.488,5.425,6,0.35,0.75,1.0,0.3253461037625934,0.48317455966006445,0.8006819272154068,0.8234099787540264,0.6081531423480228
EOS-2-13036,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)cc1F,RRXPHEPCVCMZPV-UHFFFAOYSA-N,2,1,0.321,69,479,459.488,5.425,6,0.35,0.77,1.0,0.3472174628195463,0.4657922692070454,0.8108337331231581,0.798197519018573,0.6055102460420807
EOS-2-13037,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)nc5)n34)cc2)cn1,IUTFDPLUPJQXJI-UHFFFAOYSA-N,2,1,0.359,69,696,459.488,5.425,6,0.35,0.79,1.0,0.27797957645123705,0.4438523747515592,0.814757384689192,0.8088205057912412,0.5863524604208074
EOS-2-13038,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)cc5F)n34)cc2)n1,CFACZDNKNPNGQK-UHFFFAOYSA-N,2,1,0.321,69,152,459.488,5.425,6,0.35,0.69,1.0,0.3354465081214447,0.4305393735864574,0.8147659516140087,0.8002964155986567,0.5952620622301419
EOS-2-13039,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccc(F)n6)cc5)n34)nc2)n1,QELAZSFUMWQNFC-UHFFFAOYSA-N,2,1,0.287,69,93,459.488,5.425,6,0.327,0.61,1.0,0.21882496059214585,0.3115876225070249,0.7363957233911316,0.7260297443629635,0.4982095127133164
EOS-2-13040,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cc5)n34)cc2)cn1,JJTNMAWUVSPIPL-UHFFFAOYSA-N,2,1,0.342,69,898,459.488,5.425,6,0.35,0.68,1.0,0.32041155506819274,0.41722637242135563,0.8063874991433075,0.7936827496401891,0.5844270440682613
EOS-2-13041,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cc2)cn1,AVFMNKAKJLHNJT-UHFFFAOYSA-N,2,1,0.333,69,645,459.488,5.425,6,0.327,0.74,1.0,0.2947878829415393,0.4077684874237544,0.8343585086697279,0.8110736070180248,0.5869971215132616
EOS-2-13042,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cc2)nn1,AGSIVAJWZLRZRO-UHFFFAOYSA-N,2,1,0.329,69,958,459.488,5.425,6,0.327,0.77,1.0,0.267536495099719,0.39335891988211913,0.8253975053114934,0.8110821739428414,0.5743437735590432
EOS-2-13043,Cc1cc(F)ccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)cc1,FUSRRUXNYUDWQC-UHFFFAOYSA-N,2,1,0.337,69,696,459.488,5.425,6,0.35,0.69,1.0,0.32276745939277635,0.46580083613186213,0.8361832636556782,0.8294924953738606,0.6135610136385443
EOS-2-13044,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)c(F)c2)cn1,NSKSIFNEZLHKPR-UHFFFAOYSA-N,2,1,0.33,69,30,459.488,5.425,6,0.35,0.73,1.0,0.3401497498457954,0.4615944760468782,0.8343670755945446,0.8215423891439929,0.6144134226578027
EOS-2-13045,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c(-c2ccc(F)cc2)n1,AQCGOVZTMBTVHB-UHFFFAOYSA-N,2,1,0.301,30,737,459.488,5.425,6,0.35,0.83,0.999,0.29190939620313894,0.3745802206839833,0.6950089096018094,0.7446028373654993,0.5265253409636077
EOS-2-13046,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cc2)nn1,DDKZAWQQPZQPAO-UHFFFAOYSA-N,2,1,0.329,69,958,459.488,5.425,6,0.327,0.77,1.0,0.26754506202453565,0.3933674868069358,0.82540607223631,0.8110907408676582,0.57435234048386
EOS-2-13047,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)c(-c2cccc(F)c2)n1,WSZRRXFUSVDICB-UHFFFAOYSA-N,2,1,0.358,69,695,459.488,5.425,6,0.35,0.75,1.0,0.2518161880611336,0.39337605373175244,0.6896117469673086,0.7314440408470976,0.516562007401823
EOS-2-13048,CCn1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(C)nc5)c4)n23)c(C)n1,RHQQYIVGOSWHCT-UHFFFAOYSA-N,2,1,0.494,15,329,440.511,3.703,5,0.381,0.76,1.0,0.2106606812418614,0.12826399835515043,0.13302720855321773,0.08376739085737783,0.13892981975190186
EOS-2-13049,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)cc2)n1,IWNGOROLVLWHPQ-UHFFFAOYSA-N,2,1,0.333,69,695,440.51,5.891,6,0.342,0.83,1.0,0.11926872729764923,0.1282725652799671,0.7742443972311699,0.7575731615379343,0.4448397128366801
EOS-2-13050,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)nn1,WATSGYNFEYMERF-UHFFFAOYSA-N,2,1,0.379,21,810,440.51,5.891,6,0.342,0.88,1.0,0.2158779384552121,0.17381433760537318,0.7813035432801042,0.7912240422178055,0.49055496538962373
EOS-2-13051,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)cc1,MZILSKVVJVRBAM-UHFFFAOYSA-N,2,1,0.326,93,737,440.51,5.891,6,0.342,0.83,1.0,0.0914947570420122,0.08937015968747858,0.7721197998766363,0.7891080117880885,0.4355231820985539
EOS-2-13052,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)cc5)n34)cc2)cn1,HUIICLQQKLIDBQ-UHFFFAOYSA-N,2,1,0.329,69,958,440.51,5.891,6,0.342,0.85,1.0,0.12184737166746624,0.135006168185868,0.8568124186142142,0.8414176547186621,0.4887709032965527
EOS-2-13053,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)cc1,ZBASDQKHPIEBFO-UHFFFAOYSA-N,2,1,0.341,69,479,440.51,5.891,6,0.342,0.82,1.0,0.1110016448495648,0.13139949283805086,0.8045027756836406,0.7959701185662394,0.46071850798437397
EOS-2-13054,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)cc1,FUAZPAOSRFMZFN-UHFFFAOYSA-N,2,1,0.319,93,737,440.51,5.891,6,0.342,0.84,1.0,0.09376499211842917,0.08937872661229525,0.7766602700294702,0.7891165787129052,0.43723014186827497
EOS-2-13055,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)nn1,XSHFBUMJTYWGPE-UHFFFAOYSA-N,2,1,0.379,21,810,440.51,5.891,6,0.342,0.88,1.0,0.2158865053800288,0.17382290453018984,0.7813121102049209,0.7912326091426222,0.4905635323144404
EOS-2-13056,Cc1cccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,FDSSSKWLGUNSPF-UHFFFAOYSA-N,2,1,0.352,93,651,440.51,5.891,6,0.342,0.82,1.0,0.16611267219518883,0.15397333972997054,0.7388801315879652,0.747318552532383,0.4515711740113769
EOS-2-13057,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)c1,DDXQKKASPYTGDP-UHFFFAOYSA-N,2,1,0.362,93,651,440.51,5.891,6,0.342,0.76,1.0,0.14968131039681995,0.14603180042491948,0.8086063326708245,0.8133609759440751,0.47942010485915976
EOS-2-13058,CS(=O)(=O)c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccn5)n34)cc2)cn1,XYKHZJHTFGJEFL-UHFFFAOYSA-N,2,1,0.483,40,19,459.491,2.626,5,0.377,0.75,1.0,0.4215098348296895,0.4172349393461723,0.14518367486806935,0.1258309917072168,0.277439860187787
EOS-2-13059,COc1cc(-c2nnc3cncc(OCCCc4ccccc4)n23)ccc1-c1cncn1C,SYVGFVSVUUNUHN-UHFFFAOYSA-N,2,1,0.616,91,309,440.507,4.212,5,0.336,0.79,1.0,0.5564988691659242,0.157571448152971,0.47286854910561305,0.3610359125488315,0.3869936947433349
EOS-2-13060,Cn1nccc1-c1cccc(COc2cncc3nnc(-c4ccc(C(C)(C)O)cc4)n23)c1,TVGHZWLZOQKPGP-UHFFFAOYSA-N,2,1,0.53,43,637,440.507,3.998,5,0.429,0.7,1.0,0.5649972585840587,0.22452196559522994,0.8685491056130491,0.6759303680350901,0.583499674456857
EOS-2-13061,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2OC)cn1,GBNPCNGNWBPZFE-UHFFFAOYSA-N,2,1,0.692,91,309,440.507,4.305,5,0.358,0.7,1.0,0.3631262422040984,0.17383147145500652,0.5003683777671167,0.36104447947364815,0.3495926427249675
EOS-2-13062,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5cnc(-c6cscn6)cn5)n34)s2)cc1,FOHGTAVVMUMZKP-UHFFFAOYSA-N,2,1,0.325,76,72,459.495,4.029,6,0.389,0.66,0.998,0.12185593859228291,0.29142108148858886,0.15136899458570352,0.25263861284353367,0.20432115687752722
EOS-2-13063,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(-c3ccc(-c4nnsn4)cn3)n12,NVPPARGLOLKHLU-UHFFFAOYSA-N,2,1,0.333,32,314,459.495,4.029,6,0.389,0.63,1.0,0.17401994380097321,0.31159618943184153,0.2752638612843534,0.3480141868274964,0.2772235453361661
EOS-2-13064,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)nc1,CYQLWFXHUNYMSE-UHFFFAOYSA-N,2,1,0.259,76,114,459.495,4.029,6,0.389,0.56,0.529,0.09377355904324583,0.1821328216023576,0.15137756151052018,0.24657323007333287,0.16846429305736413
EOS-2-13065,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)n(C)n1,CRMQWEMYVNJCBY-UHFFFAOYSA-N,2,1,0.303,98,63,440.496,3.111,6,0.415,0.62,1.0,0.03409636077033788,0.045910150092522785,0.10516756904941402,0.1122524158727983,0.07435662394626824
EOS-2-13066,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4csc(-c5nncn5C)c4)n23)cn1,JDZOQCQJEDETEE-UHFFFAOYSA-N,2,1,0.294,99,286,440.496,3.111,6,0.415,0.65,0.998,0.0716708930162429,0.07944109382496059,0.08321054074429443,0.08202830511959427,0.07908770817627304
EOS-2-13067,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)o6)s5)n34)cc2)n[nH]1,RHVDBNUHFPHBNY-UHFFFAOYSA-N,2,1,0.286,38,865,440.492,4.577,6,0.427,0.63,1.0,0.22140360496196285,0.24006236721266533,0.20711397436776094,0.19697930230964292,0.216389812213008
EOS-2-13068,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)s2)on1,XPSQUKPPOLEYSD-UHFFFAOYSA-N,2,1,0.315,38,193,440.492,4.279,6,0.403,0.65,1.0,0.07559454458227674,0.11471112329518196,0.21728291412514564,0.1969878692344596,0.15114411280926598
EOS-2-13069,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccco6)n5C)n34)cc2)cs1,ACQOLFLPLGILFU-UHFFFAOYSA-N,2,1,0.307,8,474,440.492,4.279,6,0.403,0.78,1.0,0.07986087314097731,0.09573538482626276,0.09264272496744569,0.11912308957576588,0.0968405181276129
EOS-2-13070,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)o2)n1C,HAAGOJUFOQUQBR-UHFFFAOYSA-N,2,1,0.333,76,272,440.492,4.279,6,0.403,0.62,0.998,0.02921321362483723,0.02475841272016997,0.07209923925707629,0.08919025426632855,0.053815279967103
EOS-2-13071,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccn(C)n6)s5)n34)cc2)o1,LOJXXVAWDJVWLW-UHFFFAOYSA-N,2,1,0.286,38,303,440.492,4.279,6,0.403,0.65,1.0,0.08892467959701186,0.13872421355630182,0.21062641354259476,0.1778236584195737,0.15402474127887053
EOS-2-13072,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,QMFUDDDLFPDKGF-UHFFFAOYSA-N,2,1,0.538,21,47,459.509,6.001,6,0.304,0.69,1.0,0.5733928449043931,0.4790795695976972,0.6185576725378658,0.6355116167500514,0.576635425947502
EOS-2-13073,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)cnc2F)s1,UDSVTIDUEUCNTM-UHFFFAOYSA-N,2,1,0.505,65,142,440.489,3.23,5,0.371,0.61,1.0,0.5789356452607772,0.6048677266808307,0.06563121102049209,0.0768024809814269,0.33155926598588176
EOS-2-13074,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(C#N)c5)n34)cc2O)cs1,XRDVHWQTTYPILG-UHFFFAOYSA-N,2,1,0.5,1,230,440.488,4.38,5,0.432,0.67,1.0,0.6020577753409636,0.5704886573915428,0.7103351380988281,0.6209135768624494,0.6259487869234459
EOS-2-13075,COc1nc(-c2cncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,YRUVMCLXQHLJHY-UHFFFAOYSA-N,2,1,0.333,93,651,459.513,4.929,6,0.364,0.79,1.0,0.3495390994448633,0.15758001507778768,0.5718936330614762,0.5091152080049346,0.39703198889726543
EOS-2-13076,Cc1nnc(-c2cccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)n1C,KSYIMIRZXDHRKH-UHFFFAOYSA-N,2,1,0.553,12,285,459.513,5.355,6,0.345,0.81,1.0,0.40559248852032076,0.2860581865533548,0.46581796998149544,0.4837913782468645,0.4103150058255089
EOS-2-13077,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)cc2)n1,NKRFWCYZSQSHHH-UHFFFAOYSA-N,2,1,0.494,12,897,459.513,4.833,6,0.355,0.68,1.0,0.43760708656020836,0.3217051607155096,0.5719021999862929,0.5161400863546022,0.4618386334041532
EOS-2-13078,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,XTUNWKJUGNSFKE-UHFFFAOYSA-N,2,1,0.556,12,285,459.513,4.926,6,0.351,0.74,1.0,0.39284490439311903,0.2756579398259201,0.6271845658282503,0.6057329860873141,0.4753550990336509
EOS-2-13079,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5ccccc5)n34)cc2)n1,NPACJRAQMVDVPH-UHFFFAOYSA-N,2,1,0.494,12,427,459.513,4.833,6,0.355,0.69,1.0,0.5734014118292098,0.3167106435473922,0.5907751353574121,0.5361095881022548,0.5042491947090673
EOS-2-13080,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccccn4)n23)cc1,QYHFUPPQEKUWQP-UHFFFAOYSA-N,2,1,0.478,12,427,459.513,4.833,6,0.355,0.67,1.0,0.6630799808100885,0.3553646083201974,0.6732403536426564,0.6088599136453978,0.575136214104585
EOS-2-13081,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cc2)cn1,KVPJFUMNSCVHCZ-UHFFFAOYSA-N,2,1,0.531,41,190,459.513,4.833,6,0.355,0.8,1.0,0.5734099787540264,0.3308717702693441,0.7766688369542869,0.7071225412925776,0.5970182818175588
EOS-2-13082,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)n1,ZTWPFRUIAHJSJT-UHFFFAOYSA-N,2,1,0.489,77,603,459.513,4.926,6,0.351,0.72,1.0,0.5935679528476459,0.36477109176889866,0.6896203138921253,0.615148036460832,0.5657768487423754
EOS-2-13083,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)cn1,VGHZFDJQZBGQCR-UHFFFAOYSA-N,2,1,0.5,77,603,459.513,4.926,6,0.351,0.68,1.0,0.5815828250291275,0.37458878760879993,0.695017476526626,0.6121153450757316,0.5658261085600713
EOS-2-13084,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccccc6)c5)n34)cc2)n1,JHJRPHNDGABNSD-UHFFFAOYSA-N,2,1,0.512,12,285,459.513,4.833,6,0.355,0.72,1.0,0.5935765197724625,0.29650126790487286,0.6840261119868412,0.6293605647316839,0.5508661160989651
EOS-2-13085,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)c4)n23)cc1,IJOWPUZMOGTBQS-UHFFFAOYSA-N,2,1,0.577,12,285,459.513,4.833,6,0.355,0.71,1.0,0.6216331985470496,0.35537317524501405,0.627193132753067,0.6178980193269824,0.5555243814680283
EOS-2-13086,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)c1,DWISTWHLIPLMML-UHFFFAOYSA-N,2,1,0.473,12,363,459.513,4.833,6,0.355,0.68,1.0,0.44934377355904326,0.2142587896648619,0.612543691316565,0.5655369748475088,0.46042080734699475
EOS-2-13087,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6cccc6)cc5)n34)cn2)nc1,DXVOWNHIWJADNW-UHFFFAOYSA-N,2,1,0.556,28,603,459.513,4.661,6,0.345,0.68,1.0,0.5650058255088753,0.4305479405112741,0.5907837022822288,0.5492169830717566,0.5338886128435336
EOS-2-13088,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,NGHQPKLSPVINPQ-UHFFFAOYSA-N,2,1,0.57,12,285,459.513,4.833,6,0.355,0.72,1.0,0.6661383729696388,0.3698084435610993,0.6185662394626825,0.6121239120005483,0.5666592419984923
EOS-2-13089,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)cc2)cn1,CIIDCNXUILTMFM-UHFFFAOYSA-N,2,1,0.554,12,285,459.513,4.833,6,0.355,0.78,1.0,0.5335566445068878,0.2914296484134055,0.6950260434514427,0.6264735110684668,0.5366214618600508
EOS-2-13090,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)n1,VJQLVVDCWJUOHI-UHFFFAOYSA-N,2,1,0.512,77,427,459.513,4.833,6,0.355,0.77,1.0,0.5565074360907408,0.34578678637516275,0.6677403879103557,0.5966006442327462,0.5416588136522514
EOS-2-13091,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)cc2)n[nH]1,AAEYDTIEGKPRBZ-UHFFFAOYSA-N,2,1,0.473,12,285,459.513,5.131,6,0.371,0.65,1.0,0.5565160030155575,0.4658094030566788,0.5907922692070454,0.5430744979782057,0.5390480433143718
EOS-2-13092,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)c5)n34)cc2)n1,KWCVJXBZYLXYRJ-UHFFFAOYSA-N,2,1,0.506,77,190,459.513,4.833,6,0.355,0.73,1.0,0.5707285312864094,0.32171372764032624,0.7182081420053458,0.6526368994585704,0.565821825097663
EOS-2-13093,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)cc2)cn1,GTOISQCLKZWPSC-UHFFFAOYSA-N,2,1,0.494,12,285,459.513,4.833,6,0.355,0.69,1.0,0.41919676512918924,0.31160475635665824,0.6301230210403673,0.5719964361592763,0.48323024467137277
EOS-2-13094,COc1cc(-c2cncc(C)n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccc[nH]4)cc3)n12,OEYGCGVLTXBHOP-UHFFFAOYSA-N,2,1,0.315,69,98,459.513,5.227,6,0.38,0.73,1.0,0.22141217188677953,0.057072853128640945,0.7053149201562607,0.6209221437872661,0.4011805222397368
EOS-2-13095,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cc5)n34)cc2)cn1,NCZBABBZXRKLIT-UHFFFAOYSA-N,2,1,0.531,41,190,459.513,4.833,6,0.355,0.8,1.0,0.5734185456788431,0.33088033719416077,0.7766774038791036,0.7071311082173943,0.5970268487423754
EOS-2-13096,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)c5)n34)cc2)n1,PAHFWMMHMLOBCK-UHFFFAOYSA-N,2,1,0.512,77,427,459.513,4.833,6,0.355,0.75,1.0,0.5565245699403742,0.34579535329997946,0.6677489548351724,0.5966092111575629,0.5416695223082723
EOS-2-13097,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)cn1,ZUBJUFPNCNYTMM-UHFFFAOYSA-N,2,1,0.506,77,603,459.513,4.926,6,0.351,0.71,1.0,0.6630885477349051,0.42605887190734015,0.7287283256802138,0.6413456925502021,0.6148053594681653
EOS-2-13098,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cc2)n1,OSSSXMKHWJNNSZ-UHFFFAOYSA-N,2,1,0.517,77,933,459.513,4.926,6,0.351,0.76,1.0,0.4493523404838599,0.2245305325200466,0.6732489205674731,0.587605373175245,0.48368429168665616
EOS-2-13099,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,WYHJJQXERIKLLZ-UHFFFAOYSA-N,2,1,0.58,12,285,459.513,4.833,6,0.355,0.77,1.0,0.6814217668425742,0.3601620862175314,0.5811801795627441,0.5460386539647728,0.5422006716469057
EOS-2-13100,CCn1cc(-c2cccnc2Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,FWQJRARDUMGANE-UHFFFAOYSA-N,2,1,0.402,12,285,459.513,5.529,6,0.326,0.63,1.0,0.3354550750462614,0.2914382153382222,0.565194297854842,0.522539579192653,0.42865679185799466
EOS-2-13101,Cn1cc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,OMISJHCPHAEFKG-UHFFFAOYSA-N,2,1,0.512,12,285,459.513,4.833,6,0.355,0.73,1.0,0.5309608662874374,0.3357206497155781,0.6272016996778836,0.5966177780823796,0.5226252484408197
EOS-2-13102,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cc5)n34)cc2)cn1,SCFOTVRGZUWVJX-UHFFFAOYSA-N,2,1,0.53,77,190,459.513,4.833,6,0.355,0.78,1.0,0.565014392433692,0.3406037968610787,0.7340226852169145,0.6555496538962374,0.5737976321019806
EOS-2-13103,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)cc1,KQNYMFYSMNNCDR-UHFFFAOYSA-N,2,1,0.5,12,285,459.513,4.833,6,0.355,0.68,1.0,0.6814303337673908,0.3504386265506134,0.555342334315674,0.5026386128435337,0.522462476869303
EOS-2-13104,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2)cn1,YOFSQRSJHWBHJG-UHFFFAOYSA-N,2,1,0.438,12,190,459.513,4.833,6,0.355,0.73,1.0,0.40785415667192104,0.19984922212322664,0.6840346789116579,0.6441556438900692,0.4839734253992187
EOS-2-13105,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)cc1,AOBJYPVMGCNCPV-UHFFFAOYSA-N,2,1,0.5,12,427,459.513,4.833,6,0.355,0.7,1.0,0.6189260503049825,0.3217222945651429,0.6272102666027003,0.5751147967925434,0.5357433520663423
EOS-2-13106,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)nn1,LPMLCHWAWRCZCB-UHFFFAOYSA-N,2,1,0.5,77,603,459.513,4.926,6,0.351,0.72,1.0,0.4755842642724967,0.369817010485916,0.6840432458364746,0.6121324789253649,0.5353942498800631
EOS-2-13107,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)c5)n34)cc2)cn1,OTWDYKHUYGHKBF-UHFFFAOYSA-N,2,1,0.524,41,190,459.513,4.833,6,0.355,0.7,1.0,0.5541600986909739,0.32617709546981016,0.7675193612500857,0.7016654101843602,0.5873804913988074
EOS-2-13108,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)nn1,ZCCOZYQQICVTFE-UHFFFAOYSA-N,2,1,0.549,12,285,459.513,4.833,6,0.355,0.76,1.0,0.4854876293605647,0.36982557741073263,0.6597902816804879,0.6441642108148858,0.5398169248166678
EOS-2-13109,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cc5)n34)cc2)cn1,YBOYIYJCDGUBHA-UHFFFAOYSA-N,2,1,0.337,69,645,459.513,4.929,6,0.364,0.77,1.0,0.1884466451922418,0.13501473511068468,0.7579329723802344,0.6470940991021863,0.4321221129463368
EOS-2-13110,COc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)cc4)n23)cc1,MQMPPESCUDFIAQ-UHFFFAOYSA-N,2,1,0.39,69,867,459.513,4.929,6,0.364,0.74,1.0,0.27026934411623604,0.09241141799739566,0.6185748063874992,0.5161486532794188,0.3743510554451374
EOS-2-13111,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)cn1,LZPMHFZFRBBQAH-UHFFFAOYSA-N,2,1,0.489,77,933,459.513,4.926,6,0.351,0.71,1.0,0.5309694332122541,0.27566650675073673,0.7003204029881434,0.6088684805702145,0.5289562058803372
EOS-2-13112,Cc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5)n34)nc2)c1,ZLEANKNCIKXTDQ-UHFFFAOYSA-N,2,1,0.398,41,190,459.513,5.355,6,0.345,0.76,1.0,0.38635117538208485,0.26518915769995205,0.7465046946747995,0.652645466383387,0.5126726235350558
EOS-2-13113,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4cnn(CCN5CCC5)c4)n23)cc1,AASDWBNBJYGLNZ-UHFFFAOYSA-N,2,1,0.31,61,336,440.486,3.562,6,0.402,0.78,1.0,0.12758721129463368,0.21426735658967858,0.0215029812898362,0.16181207593722158,0.1312924062778425
EOS-2-13114,c1coc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nncs6)ns5)n34)cc2)c1,JLGZWOGYUDPAQY-UHFFFAOYSA-N,2,1,0.494,81,49,459.516,4.605,6,0.356,0.66,1.0,0.48043314371873075,0.43055650743609075,0.20355870056884381,0.23810054142964843,0.3381622232883284
EOS-2-13115,c1csc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccsc6)n5)n34)cc2)n1,IRHDRXAXLRHCPC-UHFFFAOYSA-N,2,1,0.432,40,59,459.516,4.605,6,0.356,0.71,1.0,0.44936090740867657,0.4395089438695086,0.1607412103351381,0.16182064286203823,0.30285792611884044
EOS-2-13116,c1csc(-c2noc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)c1,SRUUCBCRSBTWJP-UHFFFAOYSA-N,2,1,0.5,40,120,459.516,4.605,6,0.356,0.7,1.0,0.42374580220683983,0.4878349667603317,0.1542474813241039,0.16966794599410595,0.30887404907134536
EOS-2-13117,c1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)s5)n34)cc2)o1,LEMJLVUMMIEJRP-UHFFFAOYSA-N,2,1,0.517,81,609,459.516,4.605,6,0.356,0.66,1.0,0.4704269755328627,0.4878435336851484,0.3116133232814749,0.2733962716743198,0.38582002604345145
EOS-2-13118,c1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccsc6)s5)n34)cc2)o1,BNBMGTGAANSFSD-UHFFFAOYSA-N,2,1,0.518,40,25,459.516,4.605,6,0.356,0.61,1.0,0.41014152559797135,0.4031594818723871,0.26050304982523476,0.24089335891988212,0.3286743540538688
EOS-2-13119,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(C)n(C)n6)nn5)n34)cc2)cn1,QCGNSEZIAXYISY-UHFFFAOYSA-N,2,1,0.305,38,270,459.517,4.328,6,0.387,0.75,1.0,0.06970906723322597,0.07944966074977726,0.3409978754026455,0.2943081351518059,0.19611618463436364
EOS-2-13120,CCn1nnc(-c2cnc(C)c(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)n1,GGXWTHUEYXZFHX-UHFFFAOYSA-N,2,1,0.321,25,774,459.517,4.502,6,0.374,0.7,1.0,0.1192772942224659,0.11771811390583237,0.18313515180590775,0.24956308683434994,0.16742341169213898
EOS-2-13121,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)ccc5C)n34)cc2)cn1,XCQHGAFELAKMNQ-UHFFFAOYSA-N,2,1,0.306,9,642,459.517,4.328,6,0.387,0.66,1.0,0.09150332396682886,0.04943115619217326,0.40093208142005343,0.34147762319237884,0.2208360461928586
EOS-2-13122,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc(C)n6C)c5)n34)cc2)n1,JGIVMULPMYJSDB-UHFFFAOYSA-N,2,1,0.333,9,598,459.517,4.328,6,0.387,0.7,1.0,0.08893324652182852,0.02959015831677061,0.24253820848468233,0.22309985607566307,0.14604036734973613
EOS-2-13123,Cc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nc(C)n(C)n6)cc5)n34)c2)nn1,FKYPWQFQVGHEJP-UHFFFAOYSA-N,2,1,0.32,9,598,459.517,4.328,6,0.387,0.76,1.0,0.12474299225549997,0.06089370159687479,0.2389829346857652,0.21492700980056198,0.1598866595846755
EOS-2-13124,CN(C)Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccn5)cc4)n23)cc1F,JAFTVWMLGSVHTD-UHFFFAOYSA-N,2,1,0.467,1,528,440.482,4.846,5,0.376,0.8,1.0,0.8407922692070454,0.7436947433349325,0.8006904941402234,0.7016739771091769,0.7717128709478445
EOS-2-13125,c1nc(-c2ccc(-c3nnc4cncc(OCc5sncc5-c5cscn5)n34)cc2)n[nH]1,CDDPBZKQDUHIIP-UHFFFAOYSA-N,2,1,0.451,40,425,459.52,3.735,6,0.4,0.68,1.0,0.4903365088067987,0.4395175107943253,0.15138612843533686,0.15364779658693714,0.3087219861558495
EOS-2-13126,c1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)s5)n34)cc2)cs1,QOKQBRFTZISGRA-UHFFFAOYSA-N,2,1,0.422,6,348,459.52,3.735,6,0.4,0.66,1.0,0.4123089575765883,0.23436536220958123,0.1831437187307244,0.1943235556164759,0.25603539853334245
EOS-2-13128,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)c(F)c4)n23)cc1,KPYPKCKFUNYAQB-UHFFFAOYSA-N,2,1,0.707,79,590,440.478,5.653,5,0.327,0.82,1.0,0.97554999657323,0.9791138372969639,0.8923308889041189,0.8523661846343636,0.9248402268521692
EOS-2-13129,OCc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(F)cc5)cc4)n23)cc1,LPPPPUGONCLIRW-UHFFFAOYSA-N,2,1,0.771,79,497,440.478,4.711,5,0.397,0.84,1.0,0.9873209512713317,0.9791224042217805,0.9324155301213076,0.9155386882324721,0.953599393461723
EOS-2-13130,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cc[nH]n6)c5)n34)cn2)cc1,XBZAYRBQBUOWRF-UHFFFAOYSA-N,2,1,0.357,69,220,440.47,4.782,6,0.422,0.75,1.0,0.18557672537865808,0.2705263518607361,0.8219364676855596,0.827265094921527,0.5263261599616202
EOS-2-13131,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)cn2)c1,NGYWVGILRLOARF-UHFFFAOYSA-N,2,1,0.294,30,317,440.47,4.578,6,0.398,0.68,0.998,0.010931396066068124,0.07241621547529299,0.6924302652319924,0.7314526077719142,0.37680762113631694
EOS-2-13132,N#Cc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)c2)c1,SWWAATAETTYQHX-UHFFFAOYSA-N,2,1,0.297,69,30,440.47,4.782,6,0.422,0.69,1.0,0.1465543828387362,0.16152080049345488,0.8343756425193612,0.8354293742718114,0.4944700500308409
EOS-2-13133,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)c1,JFOKWVLYMDJMPA-UHFFFAOYSA-N,2,1,0.3,30,668,440.47,4.578,6,0.398,0.73,0.999,0.016594133369885546,0.11175553423343157,0.7513707079706669,0.7725481461174697,0.4130671304228634
EOS-2-13134,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cc2)cc1,BMUREIPJEXOUIA-UHFFFAOYSA-N,2,1,0.383,93,380,440.47,4.578,6,0.398,0.75,1.0,0.01940408470975259,0.15758858200260434,0.7813206771297375,0.7912411760674388,0.4373886299773833
EOS-2-13135,N#Cc1cnc(-c2ccccc2)c(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1,SZNNRWFDRZBLNX-UHFFFAOYSA-N,2,1,0.283,30,668,440.47,4.578,6,0.398,0.81,0.899,0.005242957987800699,0.060902268521691456,0.6512319237886368,0.7016825440339935,0.35476492358303063
EOS-2-13136,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)c4)n23)cc1,UAFPZLQUXUKEJE-UHFFFAOYSA-N,2,1,0.536,89,637,440.467,2.525,5,0.432,0.79,1.0,0.5411812075937221,0.1692567336029059,0.26765643204715234,0.14855904324583646,0.2816633541224042
EOS-2-13137,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3ccc(-c4nccs4)cc3)n12,QQLCERDEWMAXCD-UHFFFAOYSA-N,2,1,0.321,9,834,440.467,4.506,6,0.433,0.71,1.0,0.23550476321019806,0.3887756151052018,0.5940305667877459,0.6151566033856487,0.45836688712219864
EOS-2-13138,COc1nc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)ccc1-c1ncccn1,UERJZAKGEWIJGU-UHFFFAOYSA-N,2,1,0.438,49,896,440.467,2.977,5,0.377,0.59,1.0,0.47818004249194707,0.19524021657185936,0.0832191076691111,0.04066719210472209,0.19932663970940992
EOS-2-13139,Fc1cc(-c2cnsc2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)nc3)n12,QRCQDAYMPVEDKX-UHFFFAOYSA-N,2,1,0.305,42,693,440.467,4.506,6,0.433,0.77,0.882,0.21589507230484545,0.32173086148995955,0.6512404907134535,0.6727948735521897,0.465415324515112
EOS-2-13140,Fc1cc(-c2nnc3cncc(-c4csc(-c5ccccn5)n4)n23)ccc1-c1cc[nH]n1,KEORTHZGMUPRTH-UHFFFAOYSA-N,2,1,0.337,32,126,440.467,4.506,6,0.433,0.71,1.0,0.1686741827153725,0.3933846206565691,0.4797991912822973,0.5330597628675211,0.39372943938043997
EOS-2-13141,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)c4)n23)cc1,JLDLPLCYNPNANC-UHFFFAOYSA-N,2,1,0.517,89,656,440.467,2.525,5,0.432,0.81,1.0,0.4078627235967377,0.14604036734973613,0.3935987937769858,0.20871598930847782,0.2890544685079844
EOS-2-13142,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3cccc(-c4ccsc4)n3)n12,FULGBNURPSEZDA-UHFFFAOYSA-N,2,1,0.321,32,154,440.467,4.506,6,0.433,0.64,1.0,0.2702779110410527,0.36017065314234803,0.5553509012404907,0.5937735590432458,0.4448932561167843
EOS-2-13143,Fc1ccc(-n2ccc(-c3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)n2)cc1,GKKXCDHZUVPTEU-UHFFFAOYSA-N,2,1,0.364,3,340,440.467,4.302,6,0.406,0.68,1.0,0.028056678774587073,0.19524878349667604,0.5417294907819888,0.5995733671441299,0.3411520800493455
EOS-2-13144,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)c(-n2cccn2)c1,UDXSTNGZLKNSHG-UHFFFAOYSA-N,2,1,0.317,32,572,440.467,4.302,6,0.406,0.67,1.0,0.060431087656774726,0.2296449866355973,0.4728771160304297,0.5193355493112193,0.32057218490850525
EOS-2-13145,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C)nc5)n34)nn2)cn1,TWHUVHHIIJQGAO-UHFFFAOYSA-N,2,1,0.449,54,411,440.467,2.977,5,0.377,0.73,1.0,0.5360153519292715,0.27567507367555344,0.22435062709889658,0.1237749297512165,0.2899539956137345
EOS-2-13146,COc1cccc(COc2cncc3nnc(-c4ccc(-c5cnn(C6CC6)c5)nc4)n23)n1,PTSZGZLJNFSJHO-UHFFFAOYSA-N,2,1,0.418,92,860,440.467,3.367,6,0.379,0.71,1.0,0.2779881433760537,0.25514872181481735,0.09050099376327873,0.09117778082379549,0.1787039099444863
EOS-2-13147,CCOc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)cn2)cn1,HNVYNQSSDDIKTH-UHFFFAOYSA-N,2,1,0.426,7,85,440.467,3.324,5,0.376,0.81,1.0,0.36087314097731477,0.2756836406003701,0.242546775409499,0.1214875608251662,0.2501477794530875
EOS-2-13148,CCOc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cncnc1,KUANNIKWYVSDBI-UHFFFAOYSA-N,2,1,0.523,65,361,440.467,3.059,5,0.359,0.61,1.0,0.5515728873963403,0.4569940374203276,0.37512850387225,0.2647436776094853,0.4121097765746008
EOS-2-13149,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cn4)n23)ccc1-c1cncs1,IQHYDPORYFJPDL-UHFFFAOYSA-N,2,1,0.272,42,693,440.467,4.506,6,0.433,0.68,1.0,0.2106692481666781,0.3261856623946268,0.6484391062984032,0.6728034404770064,0.46452436433417865
EOS-2-13150,Fc1cccnc1-n1cc(-c2cncc3nnc(-c4csc(-c5ccccc5)n4)n23)cn1,MJORRQWANHZHJO-UHFFFAOYSA-N,2,1,0.302,30,664,440.467,4.302,6,0.406,0.75,1.0,0.0010451648276334727,0.08626893290384484,0.3005876910424234,0.3958261942293194,0.19593199575080528
EOS-2-13151,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nn1,HCTGGDQXMAPFCO-UHFFFAOYSA-N,2,1,0.294,10,37,440.467,4.302,6,0.406,0.69,1.0,0.004377698581317251,0.12109348228359948,0.49008806798711535,0.5937821259680625,0.30233534370502363
EOS-2-13152,Fc1cc(-c2ccsc2)cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,LMRLXUUWNDOVQJ-UHFFFAOYSA-N,2,1,0.286,42,693,440.467,4.506,6,0.433,0.66,1.0,0.19134226578027552,0.3013330135014735,0.6156449181001987,0.6642108148858885,0.44313275306695904
EOS-2-13153,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(CO)cn5)n34)ncn2)c(C)n1,FSWPOJBSJCPONQ-UHFFFAOYSA-N,2,1,0.417,31,238,440.467,2.726,5,0.424,0.66,0.947,0.35162942910013023,0.1821413885271743,0.28625522582413815,0.16687512850387226,0.24672529298882873
EOS-2-13154,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)nc5)n34)cn2)cc1,HHESLLIGDZKFAL-UHFFFAOYSA-N,2,1,0.351,32,673,440.467,4.302,6,0.406,0.62,0.84,0.015780275512302103,0.1952573504214927,0.5182304160098691,0.5623158111164417,0.3228959632650264
EOS-2-13155,Fc1ccsc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)cc1,SRTCMJGATNCADM-UHFFFAOYSA-N,2,1,0.329,38,154,440.467,4.506,6,0.433,0.66,1.0,0.30248954835172365,0.3933931875813858,0.5751147967925434,0.6088770474950311,0.469968645055171
EOS-2-13156,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nn2)c1,OHCFMDNJVXUSKO-UHFFFAOYSA-N,2,1,0.326,3,783,440.467,4.302,6,0.406,0.71,1.0,0.019412651634569254,0.15759714892742102,0.5038722500171339,0.5751233637173601,0.31400135357412107
EOS-2-13157,c1cc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C6COC6)c5)nc4)n23)ccn1,WUCNIDVCBDSFRD-UHFFFAOYSA-N,2,1,0.5,65,393,440.467,2.638,6,0.38,0.74,1.0,0.25666506750736756,0.13502330203550134,0.20007196216846002,0.19165067507367556,0.1958527516962511
EOS-2-13158,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)cc1,PVQGYTDULMZINT-UHFFFAOYSA-N,2,1,0.35,3,289,440.467,4.302,6,0.406,0.7,1.0,0.04564457542320609,0.20933280789527792,0.4967788362689329,0.5688780755260092,0.33015857377835656
EOS-2-13159,COc1cc(-c2nnc3cncc(OCCCc4ncccn4)n23)ccc1-c1cnccn1,JMBGVRMECGUECW-UHFFFAOYSA-N,2,1,0.453,65,248,440.467,3.059,5,0.336,0.72,1.0,0.5491912822973065,0.3308889041189775,0.13608560071276815,0.09699472277431294,0.27829012747584125
EOS-2-13160,Fc1ccccc1-c1nnc2cncc(-c3cccc(-n4ccc(-c5cncs5)n4)n3)n12,FNWNRSBBWOIYEA-UHFFFAOYSA-N,2,1,0.383,30,298,440.467,4.302,6,0.406,0.59,0.996,0.011779521622918237,0.21427592351449523,0.415024672743472,0.4837999451716812,0.28122001576314165
EOS-2-13161,COCc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,WOCODRBRQGNSAG-UHFFFAOYSA-N,2,1,0.46,18,840,440.467,2.806,5,0.359,0.74,1.0,0.3539424988006305,0.09241998492221232,0.24255534233431567,0.16967651291892263,0.21464858474402027
EOS-2-13162,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nn2)cc1,LLJZNHIYBXPJNE-UHFFFAOYSA-N,2,1,0.35,3,783,440.467,4.302,6,0.406,0.69,1.0,0.02455280652456994,0.16152936741827154,0.5719107669111095,0.6383387019395518,0.3490829106983757
EOS-2-13163,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,KVCCCCDPZPWZJO-UHFFFAOYSA-N,2,1,0.341,3,668,440.467,4.302,6,0.406,0.7,1.0,0.010237475155918031,0.22453909944486328,0.5484802275375231,0.6024518538825303,0.3464271640052087
EOS-2-13164,N#Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,GJPXZHJMMIXDGR-UHFFFAOYSA-N,2,1,0.359,21,958,440.466,5.652,6,0.352,0.71,1.0,0.29479644986635595,0.27569220752518675,0.9099273524775546,0.9088307861010212,0.5973116989925296
EOS-2-13165,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)s2)cs1,YWTPCSVCHZWNGI-UHFFFAOYSA-N,2,1,0.292,76,195,459.535,5.277,6,0.359,0.71,0.944,0.002655746693167021,0.035544171064354736,0.45187101637996024,0.49881776437529984,0.24722217462819546
EOS-2-13166,COc1cc(-c2nnc3cncc(OCc4ccncc4)n23)ccc1-c1cnc(SC)n1C,XBOSCPJIPOWIPJ-UHFFFAOYSA-N,2,1,0.471,16,248,459.535,3.896,5,0.339,0.68,1.0,0.31802994996915906,0.16153793434308822,0.36734973613871563,0.21195428688917825,0.2647179768350353
EOS-2-13167,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(F)c(-c5nccs5)s4)n23)cc1,GYNSNBSNPIBSGF-UHFFFAOYSA-N,2,1,0.321,38,983,459.535,5.183,6,0.363,0.68,1.0,0.2434034678911658,0.3261942293194435,0.397411075320403,0.41796312795558904,0.3462429751216503
EOS-2-13168,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnoc6)s5)n34)cn2)cc1,TXKHCXXOPNLDDX-UHFFFAOYSA-N,2,1,0.365,32,20,440.463,5.376,6,0.366,0.75,1.0,0.22425639092591323,0.3887841820300185,0.7557998081008841,0.7891251456377218,0.5394913816736344
EOS-2-13169,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cccnc6)cs5)n34)o2)cc1,BTJZMDFJOWSTOS-UHFFFAOYSA-N,2,1,0.329,32,126,440.463,5.376,6,0.366,0.77,1.0,0.13319854704955109,0.2651977246247687,0.6185833733123158,0.684857103694058,0.4254591871701734
EOS-2-13170,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)o2)c1,YBDMTXILBQNGOV-UHFFFAOYSA-N,2,1,0.344,32,20,440.463,5.376,6,0.366,0.69,1.0,0.15510417380577068,0.30645603454184084,0.7053234870810774,0.7446114042903159,0.47787377492975125
EOS-2-13171,Fc1cc(-c2cscn2)ccc1-c1cncc2nnc(-c3ccc(-c4ncco4)cc3)n12,JNHDTBWGPWTSAN-UHFFFAOYSA-N,2,1,0.382,69,484,440.463,5.376,6,0.366,0.68,1.0,0.3330049345486944,0.4525649372901103,0.7790847097525873,0.7725567130422863,0.5843028236584196
EOS-2-13172,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)o2)cc1,GHQVHNLAQSPDKQ-UHFFFAOYSA-N,2,1,0.333,69,152,440.463,5.376,6,0.366,0.75,1.0,0.0962322664656295,0.2757007744500034,0.7650520869028853,0.8110993077924749,0.48702110890274825
EOS-2-13173,Fc1ccc(-c2nocc2-c2nnc3cncc(-c4ccc(-c5cccs5)nc4)n23)cc1,NYTTXKISIYORGW-UHFFFAOYSA-N,2,1,0.37,32,20,440.463,5.376,6,0.366,0.7,1.0,0.25416352546090054,0.3887927489548352,0.665024672743472,0.7285912548831471,0.5091430505105887
EOS-2-13174,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cccs5)cn4)n23)ccc1-c1cnco1,RTYOSFJFFKHIDL-UHFFFAOYSA-N,2,1,0.355,32,20,440.463,5.376,6,0.366,0.74,1.0,0.42626447810294016,0.47026420396134605,0.7742529641559865,0.7819974641902543,0.6131947776026317
EOS-2-13175,Fc1cccc(-c2oncc2-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)c1,QBYVAFFCYAEOIS-UHFFFAOYSA-N,2,1,0.377,42,818,440.463,5.376,6,0.366,0.72,1.0,0.2541720923857172,0.3167192104722089,0.712990884791995,0.7750582550887534,0.5147351106846686
EOS-2-13176,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)s5)n34)nc2)c1,IAUCOANCFZSRLY-UHFFFAOYSA-N,2,1,0.348,32,126,440.463,5.376,6,0.366,0.75,1.0,0.17402851072578987,0.30646460146665755,0.6762045096292235,0.7395483517236653,0.4740614933863341
EOS-2-13177,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccc(=O)[nH]n4)cc3)n12,VEDIVJOYJNATSR-UHFFFAOYSA-N,2,1,0.581,79,309,440.463,3.172,5,0.414,0.71,1.0,0.7301847028990474,0.39340175450620246,0.5213059420190529,0.3958347611541361,0.5101817901446097
EOS-2-13178,COc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)c(CO)n4)n23)ccn1,JYHXDJWKTLQSNZ-UHFFFAOYSA-N,2,1,0.411,1,198,440.463,3.328,5,0.411,0.69,1.0,0.410150092522788,0.2965098348296895,0.46232266465629496,0.344724487697896,0.37842676992666713
EOS-2-13179,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)s5)n34)ccn2)cn1,ZHGQHWBCZXPNHT-UHFFFAOYSA-N,2,1,0.272,32,368,440.463,5.376,6,0.343,0.65,1.0,0.24341203481598245,0.31672777739702557,0.692438832156809,0.7100866972791446,0.4906663354122404
EOS-2-13180,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,RAJONBSPZURLQF-UHFFFAOYSA-N,2,1,0.342,69,152,440.463,5.376,6,0.366,0.77,1.0,0.18845521211705846,0.3064731683914742,0.8025409499006236,0.8272736618463437,0.531185748063875
EOS-2-13181,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)ccc1-c1csnn1,SWCOJBLTTNBAJK-UHFFFAOYSA-N,2,1,0.342,69,152,440.463,5.376,6,0.366,0.72,1.0,0.19679082996367625,0.3116133232814749,0.7985316290864232,0.8272822287711603,0.5335545027756836
EOS-2-13182,Fc1cccnc1-c1nc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)cs1,PWDPRXCVIXDVCC-UHFFFAOYSA-N,2,1,0.351,32,126,440.463,5.376,6,0.366,0.72,1.0,0.2188335275169625,0.41724350627098894,0.5652028647796586,0.6293691316565005,0.45766225755602763
EOS-2-13183,Fc1cc(-c2ccsc2)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,UUXBHVFQQIADBK-UHFFFAOYSA-N,2,1,0.338,9,38,440.463,5.376,6,0.366,0.75,1.0,0.36780378315399903,0.45257350421492704,0.812795558906175,0.8234185456788431,0.6141478479884861
EOS-2-13184,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)s2)c1,GKFOMCZLCJEDLO-UHFFFAOYSA-N,2,1,0.385,3,641,440.463,5.376,6,0.366,0.69,1.0,0.15781988897265437,0.3601792200671647,0.5875454047015284,0.6848656706188746,0.44760254609005545
EOS-2-13185,Fc1ccc(-c2cscc2-c2cncc3nnc(-c4ccc(-c5conn5)cc4)n23)cc1,LGJNOHOPYZZDRA-UHFFFAOYSA-N,2,1,0.397,9,38,440.463,5.376,6,0.366,0.67,1.0,0.3130868343499417,0.40316804879720375,0.8108423000479748,0.8433623466520458,0.5926148824617915
EOS-2-13186,COc1ccc(Oc2cc(-c3nnc4cncc(OCc5ccccn5)n34)ccc2C)cn1,GBHLVNRQFPXVRY-UHFFFAOYSA-N,2,1,0.614,1,61,440.463,4.27,5,0.37,0.76,1.0,0.3951237063943527,0.2914467822630389,0.5683554931121925,0.34802275375231306,0.40073718388047425
EOS-2-13187,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6nncs6)nc5)n34)cn2)nn1,RZRMJMWROMHFPV-UHFFFAOYSA-N,2,1,0.26,99,780,440.456,1.957,6,0.4,0.62,0.943,0.03293982592008773,0.07589438695086012,0.023601877869919814,0.025161058186553356,0.03939928723185526
EOS-2-13188,Fc1cc(-c2ccccc2)cc(F)c1Oc1cncc2nnc(-c3ccc(C4CC4)cc3)n12,HFOINXSIEGGKEE-UHFFFAOYSA-N,2,1,0.488,79,650,440.453,6.406,6,0.317,0.72,1.0,0.9476903570694264,0.9092077307929546,0.944169350969776,0.9557175656226441,0.9391962511137003
EOS-2-13189,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cnccn6)cs5)n34)nc2)no1,YREUQLYMGHCBEK-UHFFFAOYSA-N,2,1,0.287,86,513,440.452,3.125,6,0.402,0.63,1.0,0.1036854910561305,0.15760571585223768,0.03511582482352135,0.03496162017682133,0.08284216297717771
EOS-2-13190,c1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)s2)c1,GCQRPSQZXMLUCR-UHFFFAOYSA-N,2,1,0.33,6,870,440.448,4.152,6,0.389,0.61,0.999,0.39931293262970324,0.27053491878555275,0.2605116167500514,0.2526471797683503,0.2957516619834144
EOS-2-13191,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)o5)n34)c(F)c2)n[nH]1,DUSDIULRPKZASI-UHFFFAOYSA-N,2,1,0.295,76,750,440.442,4.289,6,0.439,0.7,0.931,0.24908333904461655,0.33089747104379413,0.5182389829346857,0.4776060585292303,0.39395646288808167
EOS-2-13192,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccccc1C#N,QHHNRSVRLGACAF-UHFFFAOYSA-N,2,1,0.443,95,54,440.442,3.219,5,0.399,0.61,0.872,0.5386625316976218,0.4525820711397437,0.5003769446919334,0.5161572202042355,0.5019446919333836
EOS-2-13193,CCn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)ccc2F)cn1,DUWDJLYZPVHZFL-UHFFFAOYSA-N,2,1,0.505,89,731,440.442,3.659,5,0.397,0.67,1.0,0.5464327325063395,0.6380388595709684,0.5972859982180796,0.5492255499965732,0.5827457850729902
EOS-2-13194,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(C#N)cn5)n34)ccc2F)cn1,LEYDVLYHGSBTMV-UHFFFAOYSA-N,2,1,0.529,15,394,440.442,3.219,5,0.399,0.74,1.0,0.7210352271948461,0.7391457062572819,0.7129994517168118,0.6583253375368378,0.7078764306764443
EOS-2-13195,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5C#N)n34)nc2F)n1,XZNXPWUGCJFHRU-UHFFFAOYSA-N,2,1,0.479,19,54,440.442,3.219,5,0.373,0.65,1.0,0.6445925570557193,0.5475378658076897,0.5751233637173601,0.5257607429237201,0.5732536323761223
EOS-2-13196,Fc1cc(-c2nnc3cncc(OCCc4c[nH]c5ccccc45)n23)ccc1-c1nc[nH]n1,RZHREOMZYRBIIA-UHFFFAOYSA-N,2,1,0.51,91,273,440.442,3.818,6,0.408,0.65,1.0,0.9310105544513742,0.9244654238914399,0.6185919402371325,0.6355201836748681,0.7773970255637037
EOS-2-13197,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(C#N)c5)n34)cc2)n1,SFRRPDLSMRPDGL-UHFFFAOYSA-N,2,1,0.654,91,320,440.442,3.219,5,0.399,0.7,1.0,0.8821362483722843,0.815142896305942,0.6762130765540402,0.6057415530121307,0.7448084435610993
EOS-2-13198,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)o5)n34)cc2F)n[nH]1,UQAYGIXKAINDHV-UHFFFAOYSA-N,2,1,0.303,76,750,440.442,4.289,6,0.439,0.61,0.992,0.21884209444177918,0.30648173531629086,0.5283051195942704,0.48667843191008153,0.3850768453156055
EOS-2-13199,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(C#N)c(F)c1,NEFTWRDPGZNBPH-UHFFFAOYSA-N,2,1,0.5,95,493,440.442,3.219,5,0.399,0.65,1.0,0.5650229593585087,0.45259063806456035,0.6186005071619491,0.5937906928928792,0.5575011993694744
EOS-2-13200,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C#N)nc5)n34)cc2F)n1,BMJGCRBZOCTMPD-UHFFFAOYSA-N,2,1,0.575,15,669,440.442,3.219,5,0.399,0.71,1.0,0.8636402576930985,0.8034747447056405,0.6732574874922898,0.5966263450071962,0.7342497087245562
EOS-2-13201,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)s5)n34)nc2F)n1,YQLOOGPGMUATJF-UHFFFAOYSA-N,2,1,0.442,31,814,440.439,2.943,5,0.375,0.56,0.344,0.6358028921938181,0.5289904735796038,0.20712254129257762,0.22310842300047976,0.39875608251661987
EOS-2-13202,Cc1csc(-n2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)n1,LXLQYGDJLOEFMG-UHFFFAOYSA-N,2,1,0.5,36,975,440.439,3.654,5,0.398,0.73,1.0,0.37232711945719965,0.38880131587965183,0.3191350832705092,0.3037060516756905,0.34599239257076275
EOS-2-13203,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cs2)cn1,XVTITWMJFSIIMS-UHFFFAOYSA-N,2,1,0.483,92,69,440.439,3.56,5,0.398,0.68,1.0,0.3631348091289151,0.46581796998149544,0.46233123158111167,0.3480313206771297,0.409828832842163
EOS-2-13204,Cc1coc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(C#N)cc4F)n23)cn1,OHTSTRFPRXDHOS-UHFFFAOYSA-N,2,1,0.535,89,214,440.438,4.653,5,0.392,0.72,1.0,0.8763535741210335,0.8034833116304572,0.8310688095401275,0.7395569186484819,0.8126156534850251
EOS-2-13205,COc1cc(-c2nnc3cncc(OCc4cnc(C#N)nc4)n23)ccc1-c1nncn1C,OERPWKBDGCILTQ-UHFFFAOYSA-N,2,1,0.44,36,375,440.427,1.836,5,0.384,0.67,1.0,0.4101586594476047,0.23437392913439792,0.1864419847851415,0.10328284558974711,0.2335643547392228
EOS-2-13206,c1coc(-n2cc(CCOc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)c1,GPKBFMODRMRUMC-UHFFFAOYSA-N,2,1,0.464,56,425,440.427,2.372,6,0.396,0.63,1.0,0.377116030429717,0.20934137482009457,0.08322767459392777,0.08544650812144472,0.188782896991296
EOS-2-13207,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)o2)nn1,KBVYVVKRYBLQIX-UHFFFAOYSA-N,2,1,0.443,56,763,440.427,2.544,6,0.414,0.59,1.0,0.37941196628058393,0.30134158042629017,0.1360941676375848,0.1145911863477486,0.2328597251730519
EOS-2-13208,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nnco6)nn5C)n34)cc2)cn1,VCCRTHASGOSDLW-UHFFFAOYSA-N,2,1,0.391,67,622,440.427,2.768,6,0.397,0.63,1.0,0.32535467068741003,0.22454766636967993,0.16074977725995476,0.11691282297306559,0.20689123432252757
EOS-2-13209,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)no1,SKJPULWAZDUAFH-UHFFFAOYSA-N,2,1,0.448,67,415,440.427,2.544,6,0.414,0.67,1.0,0.40346789116578713,0.2705434857103694,0.11615036666438215,0.10970803920224796,0.22496744568569665
EOS-2-13210,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6cnco6)n5)n34)cc2)n1,KROWOIJTJNJYRR-UHFFFAOYSA-N,2,1,0.404,56,415,440.427,2.34,6,0.383,0.62,1.0,0.25182475498595025,0.18214995545199095,0.11615893358919882,0.08730553080666165,0.15935979370845044
EOS-2-13211,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nncn6C)on5)n34)cc2)cn1,HMMHDWRIOMEEDZ-UHFFFAOYSA-N,2,1,0.391,67,789,440.427,2.768,6,0.397,0.58,1.0,0.21590363922966213,0.20934994174491126,0.14817353162908642,0.11692138989788226,0.17258712562538553
EOS-2-13212,COc1cc(C#N)cc(OC)c1-c1nnc2cncc(-c3cc(-c4cn(C)nn4)cnn3)n12,MHFWLUXQXWYILK-UHFFFAOYSA-N,2,1,0.329,50,985,440.427,1.933,5,0.398,0.53,0.895,0.07167945994105955,0.018478856829552463,0.2638955520526352,0.16688369542868892,0.130234391062984
EOS-2-13213,COc1cc(-c2cncn2C)ccc1-c1nnc2cncc(-c3cnc(-c4c[nH]nn4)o3)n12,XHNHZTPOFHEAEZ-UHFFFAOYSA-N,2,1,0.302,82,985,440.427,2.64,6,0.429,0.66,0.911,0.2022822287711603,0.10518470289904736,0.20713110821739428,0.14125145637721884,0.1639623740662052
EOS-2-13214,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cc[nH]n6)on5)n34)cc2)o1,NJPZJIITIISRMS-UHFFFAOYSA-N,2,1,0.462,40,763,440.423,3.712,6,0.411,0.68,1.0,0.46794256733602907,0.4260674388321568,0.3005962579672401,0.2231169899252964,0.35443081351518063
EOS-2-13215,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cnoc6)o5)n34)cc2)n[nH]1,GSRBSTVJFMBESP-UHFFFAOYSA-N,2,1,0.489,40,25,440.423,3.712,6,0.411,0.54,1.0,0.4928380508532657,0.3647796586937153,0.3340072647522445,0.25584264272496743,0.3618669042560482
EOS-2-13216,COc1cc(-c2nnc3cncc(OCc4cncc(C#N)c4)n23)ccc1-c1nc(C)no1,CUTHRMSSLBYZHV-UHFFFAOYSA-N,2,1,0.478,16,591,440.423,3.004,5,0.387,0.69,1.0,0.4781886094167638,0.31162189020629155,0.41503323966828864,0.2705691864848194,0.36885323144404086
EOS-2-13217,Cc1cncc(-c2ccc(-c3nnc4cncc(OCC5Oc6cccnc6O5)n34)cn2)n1,GCOZOGKZMOSDEQ-UHFFFAOYSA-N,2,1,0.394,65,981,440.423,2.523,6,0.403,0.45,1.0,0.5309780001370707,0.49229833458981564,0.3340158316770612,0.21196285381399493,0.3923137550544856
EOS-2-13218,CCn1cc(CCOc2cncc3nnc(-c4cccc(-c5sc(C)nc5C)c4)n23)c(C)n1,RMZRMCNPXIBWBB-UHFFFAOYSA-N,2,1,0.524,15,460,459.579,4.678,5,0.351,0.67,1.0,0.1384158042629018,0.16538448358577204,0.06371221986155849,0.036966280583921596,0.10111969707353849
EOS-2-13219,COc1nsc(COc2cncc3nnc(-c4ccc(F)c(-c5noc(C)n5)c4)n23)n1,OCRBPOHNCGVDCD-UHFFFAOYSA-N,2,1,0.466,7,212,440.42,2.728,5,0.389,0.55,1.0,0.5309865670618875,0.5808717702693441,0.03915084641217189,0.03175759029538757,0.29569169350969776
EOS-2-13220,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)c(F)c5)n34)cn2)c1,USTUOYHQXZHYPS-UHFFFAOYSA-N,2,1,0.337,3,673,440.417,4.312,6,0.441,0.75,0.999,0.03681207593722158,0.2757093413748201,0.8472088958947296,0.8719844424645329,0.507928688917826
EOS-2-13221,Fc1c[nH]c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)c1,LATOQESPPWMFBN-UHFFFAOYSA-N,2,1,0.313,9,834,440.417,4.517,6,0.42,0.63,1.0,0.3539510657254472,0.4216297717771229,0.8766020149407169,0.890034953053252,0.6355544513741347
EOS-2-13222,N#Cc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)ccc1F,JEPKWLZOOOUPLM-UHFFFAOYSA-N,2,1,0.535,57,709,440.413,4.582,5,0.397,0.75,1.0,0.9365019532588582,0.8601620862175313,0.955332054005894,0.9463367829483929,0.924583219107669
EOS-2-13223,Fc1ccc(F)c(-c2cc(Oc3cncc4nnc(-c5ccccc5)n34)c3cccn3n2)c1,MFSHPFGJPBPNCC-UHFFFAOYSA-N,2,1,0.451,57,480,440.413,5.177,6,0.378,0.75,0.932,0.79974813241039,0.8111507093413748,0.8753512439174834,0.8983106024261531,0.8461401720238504
EOS-2-13224,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)ccn2)c1,PGRHOQFGZTYUFA-UHFFFAOYSA-N,2,1,0.554,1,709,440.413,4.582,5,0.397,0.75,1.0,0.9014118292097869,0.8372626961825783,0.9540641491330272,0.9511856623946269,0.9109810842300048
EOS-2-13225,N#Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)c(F)c1,MABFTBCNFWDZAQ-UHFFFAOYSA-N,2,1,0.646,57,709,440.413,4.582,5,0.397,0.7,1.0,0.9685679528476459,0.9464138852717429,0.9447776026317593,0.9423788636830923,0.9505345761085601
EOS-2-13226,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccc4F)n23)cc1,DLMVPOCZEGLMDU-UHFFFAOYSA-N,2,1,0.558,1,230,440.413,4.582,5,0.372,0.72,1.0,0.9805873483654307,0.9576194229319444,0.9683537797272291,0.9617486806935782,0.9670773079295456
EOS-2-13227,N#Cc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(O)c1,KAWJLBMAYMQINX-UHFFFAOYSA-N,2,1,0.367,96,3,440.413,5.035,5,0.421,0.74,0.419,0.4192053320540059,0.5334624083339045,0.9641217188677952,0.94991775752176,0.7166768041943664
EOS-2-13228,N#Cc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cn1,YSHMCRJYDINRKX-UHFFFAOYSA-N,2,1,0.511,57,962,440.413,4.582,5,0.397,0.76,1.0,0.8896151737372353,0.8539510657254472,0.957139675142211,0.9505088753341101,0.9128036974847509
EOS-2-13229,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)cc1,NJQYXNVDVGCOEP-UHFFFAOYSA-N,2,1,0.57,1,230,440.413,4.582,5,0.372,0.76,1.0,0.9599581934068947,0.939962990884792,0.9667945994105955,0.9594184771434446,0.9565335652114317
EOS-2-13230,N#Cc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)n5)c4)n23)c1,LXIFKKMIAYDJMK-UHFFFAOYSA-N,2,1,0.517,1,709,440.413,4.582,5,0.372,0.8,1.0,0.929879720375574,0.8772531012267837,0.9471506408059763,0.9373243780412583,0.922901960112398
EOS-2-13231,COc1cc(-c2cncc(C#N)c2)ccc1-c1cncc2nnc(-c3ccc(F)c(F)c3)n12,LNHQJPHKBJFFJY-UHFFFAOYSA-N,2,1,0.375,96,46,440.413,4.679,5,0.403,0.76,1.0,0.5935850866972792,0.6819786169556576,0.9674970872455624,0.9563772188335276,0.7998595024330067
EOS-2-13232,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)cc1,VGUQDBZUIAQINL-UHFFFAOYSA-N,2,1,0.5,57,560,440.413,4.582,5,0.397,0.78,1.0,0.8453327393598794,0.7911555068192722,0.9612432321293949,0.9569940374203276,0.8886813789322185
EOS-2-13233,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)s2)cc1,ZWQJAYDPRXURQY-UHFFFAOYSA-N,2,1,0.519,96,574,440.41,4.717,5,0.394,0.75,1.0,0.4215184017545062,0.7481495442395998,0.8582259612089644,0.8817507367555343,0.7274111609896512
EOS-2-13234,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)cn2)cs1,UTLCLFVSBFBCRI-UHFFFAOYSA-N,2,1,0.471,13,573,440.41,4.828,5,0.373,0.73,1.0,0.6962682475498595,0.8111592762661914,0.8538568295524639,0.817464532931259,0.7946872215749434
EOS-2-13235,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cnsc5)c4)n23)c(F)n1,BGWBHYPYDGCDDQ-UHFFFAOYSA-N,2,1,0.556,97,91,440.41,4.306,5,0.379,0.7,1.0,0.8983448701254197,0.8034918785552738,0.9071259680625042,0.8956377218833528,0.8761501096566376
EOS-2-13236,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4F)n23)cc1F,RMEYDKUORPYWHX-UHFFFAOYSA-N,2,1,0.615,43,96,440.41,4.306,5,0.405,0.73,1.0,0.8636488246179151,0.865739154273182,0.9274381468028237,0.9280635323144404,0.8962224145020903
EOS-2-13237,COc1nc(-c2sc(-c3cncc4nnc(-c5ccc(F)cc5)n34)cc2F)cnc1F,MZKPXWSGOTXDMB-UHFFFAOYSA-N,2,1,0.408,22,140,440.41,4.403,5,0.412,0.66,0.767,0.687410047289425,0.8266568432595436,0.6840518127612912,0.6935096977588925,0.7229071002672881
EOS-2-13238,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cccs5)n4)n23)cc1F,SAXNLELGKUZPBA-UHFFFAOYSA-N,2,1,0.506,73,756,440.41,4.306,5,0.405,0.71,1.0,0.940399904050442,0.9452830511959427,0.7340312521417311,0.7678020697690358,0.8468790692892878
EOS-2-13239,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)s2)c1,IOFNJESBBMZJTB-UHFFFAOYSA-N,2,1,0.506,96,574,440.41,4.717,5,0.394,0.72,1.0,0.4078712905215544,0.7481581111644164,0.8472174628195462,0.8747772599547666,0.7195060311150709
EOS-2-13240,Fc1cc(F)c(-c2nnc3cncc(OCc4nc(-c5cccnc5)cs4)n23)cc1F,KBZNUZUWGIOOMM-UHFFFAOYSA-N,2,1,0.56,59,436,440.41,4.306,5,0.379,0.8,1.0,0.6630971146597218,0.8074155301213076,0.8147745185388253,0.8194948941128093,0.776195514358166
EOS-2-13241,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)s5)n34)cc2)nc1,FRENVWJGZQEHPT-UHFFFAOYSA-N,2,1,0.544,73,82,440.41,4.306,5,0.405,0.61,1.0,0.9321756562264409,0.8689003495305325,0.8165136042766089,0.7912497429922555,0.8522098382564595
EOS-2-13242,Fc1ccccc1-c1nnc(COc2cncc3nnc(-c4cccc(F)c4F)n23)s1,IEODNKOXZJAETR-UHFFFAOYSA-N,2,1,0.506,34,146,440.41,4.306,5,0.405,0.77,1.0,0.6506065382770201,0.8266654101843602,0.6924473990816257,0.7799499691590707,0.7374173291755192
EOS-2-13243,Fc1cc(F)c(COc2cncc3nnc(-c4ccnc(-c5cnsc5)c4)n23)cc1F,IXDIIHSTMNGORJ-UHFFFAOYSA-N,2,1,0.543,59,577,440.41,4.306,5,0.379,0.59,1.0,0.7240507847303133,0.696850798437393,0.9223065588376397,0.910047289424988,0.8133138578575835
EOS-2-13244,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4F)n23)c1,IMYSXZYFPSCKQK-UHFFFAOYSA-N,2,1,0.277,99,286,440.406,1.968,6,0.407,0.67,0.991,0.18275820711397436,0.22455623329449662,0.11895175107943252,0.1412600233020355,0.16688155369748475
EOS-2-13245,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)nn1,RASKUZRRLIZHII-UHFFFAOYSA-N,2,1,0.294,99,968,440.406,1.968,6,0.435,0.72,1.0,0.16868274964018914,0.22456480021931327,0.15425604824892056,0.172426495785073,0.17998252347337398
EOS-2-13246,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cn2)n1,MEUDRRVAOAVYLK-UHFFFAOYSA-N,2,1,0.292,98,219,440.406,1.968,6,0.435,0.71,1.0,0.19957508052909328,0.2965184017545062,0.13019155643890068,0.1642536495099719,0.19763467205811802
EOS-2-13247,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n1,XNNANBPHCZRLCA-UHFFFAOYSA-N,2,1,0.31,98,7,440.406,1.968,6,0.435,0.68,1.0,0.2541806593105339,0.27055205263518606,0.12715029812898362,0.15905352614625454,0.20273413405523952
EOS-2-13248,Cc1nc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)n[nH]1,FGNGYPGXIGKKPU-UHFFFAOYSA-N,2,1,0.3,50,584,440.406,2.266,6,0.42,0.61,1.0,0.26227640326228496,0.3357292166403948,0.12195017476526626,0.13653108080323487,0.2141217188677952
EOS-2-13249,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccnc(F)n6)nn5)n34)cc2)o1,QIGCNLSAYFBSTH-UHFFFAOYSA-N,2,1,0.321,98,303,440.402,2.932,6,0.38,0.63,0.987,0.030275512302104037,0.16154650126790487,0.23899150161058186,0.22935371119183057,0.16504180659310533
EOS-2-13250,Cn1cncc1-c1nccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)n1,ZISNLYZVFGGPIS-UHFFFAOYSA-N,2,1,0.318,98,314,440.402,2.838,6,0.407,0.65,1.0,0.23816907682818175,0.26520629154958536,0.24971729148104996,0.25862689329038446,0.25292988828730034
EOS-2-13251,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cn6)c5)n34)nc2)no1,GMMNGSFSFJTHFG-UHFFFAOYSA-N,2,1,0.292,86,151,440.402,2.932,6,0.407,0.72,1.0,0.05860633267082448,0.16155506819272153,0.17989685422520732,0.19699643615927626,0.14926367281200742
EOS-2-13252,Cc1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5F)n34)c2)o1,HDCBXBRPXAXOEE-UHFFFAOYSA-N,2,1,0.289,98,424,440.402,3.136,6,0.438,0.6,0.994,0.2242649578507299,0.3934103214310191,0.28626379274895486,0.31917791789459254,0.3057792474813241
EOS-2-13253,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cncc(F)c6)n5)n34)cc2)no1,SOJFBAUKRKCISZ-UHFFFAOYSA-N,2,1,0.299,8,635,440.402,2.932,6,0.407,0.69,1.0,0.09151189089164553,0.1615636351175382,0.1736258652594065,0.19984922212322664,0.1566376533479542
EOS-2-13254,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6nccc(F)n6)nn5)n34)cc2)o1,WUFOCANLHGVYRJ-UHFFFAOYSA-N,2,1,0.293,98,618,440.402,2.932,6,0.38,0.61,1.0,0.03831128778013844,0.19066547871975875,0.1831522856555411,0.1943321225412926,0.15161529367418272
EOS-2-13255,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cccnc6)no5)n34)c(F)c2)n[nH]1,WJCUVEOJZVGCGQ-UHFFFAOYSA-N,2,1,0.314,42,154,440.402,3.136,6,0.438,0.7,1.0,0.28368514837913783,0.4031766157220204,0.16705503392502227,0.19985778904804333,0.263443646768556
EOS-2-13256,N#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(CF)n5)n34)ncn2)cn1,FPRZBXOPZIKOPI-UHFFFAOYSA-N,2,1,0.39,7,238,440.402,2.353,5,0.386,0.59,0.868,0.4328353094373244,0.36018778699198134,0.25337536837776714,0.19986635597285998,0.3115662051949832
EOS-2-13257,Fc1nc(-c2nnc3cncc(OCc4nnco4)n23)ccc1-c1ccc2ccccc2n1,WRWVKPWAJOBLPE-UHFFFAOYSA-N,2,1,0.382,81,891,440.398,3.503,6,0.371,0.61,1.0,0.5815913919539442,0.5244671372764033,0.31914365019532587,0.36758961003358237,0.448197947364814
EOS-2-13258,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccnc(F)c6)o5)n34)cc2)o1,HSRJXMDBIICLOC-UHFFFAOYSA-N,2,1,0.307,38,303,440.398,4.006,6,0.374,0.64,1.0,0.33301350147351105,0.41725207319580565,0.39360736070180247,0.3739377013227332,0.3794526591734631
EOS-2-13259,Cc1noc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)no5)n34)c(F)c2)n1,BHRCIAHONALGLY-UHFFFAOYSA-N,2,1,0.354,30,203,440.398,4.006,6,0.4,0.73,1.0,0.35866287437461447,0.412523130697005,0.23900006853539854,0.28538139949283803,0.323891868274964
EOS-2-13260,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)nc2)n1,LRPONTIMMIMOSS-UHFFFAOYSA-N,2,1,0.346,32,321,440.398,4.006,6,0.4,0.73,1.0,0.3516379960249469,0.3839438695086012,0.2862723596737715,0.32857583441847715,0.33760751490644925
EOS-2-13261,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)cc6)o5)n34)cc2)o1,HWAIMOYSNUQHTK-UHFFFAOYSA-N,2,1,0.411,3,641,440.398,4.006,6,0.4,0.75,1.0,0.30249811527654036,0.4923069015146323,0.31552840792269204,0.3512353505585635,0.36539219381810706
EOS-2-13262,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)c(F)c5)n34)cc2)no1,XXDBPSUJFVNSQO-UHFFFAOYSA-N,2,1,0.338,9,340,440.398,4.006,6,0.4,0.74,1.0,0.36554211500239875,0.3698341443355493,0.44465766568432596,0.4340432458364745,0.4035192927146871
EOS-2-13263,Cc1ncnc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3nnc(-c4ccco4)o3)n12,OPPDDVSTPBNVJP-UHFFFAOYSA-N,2,1,0.321,10,750,440.398,4.006,6,0.4,0.67,0.998,0.344930093893496,0.46160304297169485,0.20713967514221096,0.28538996641765474,0.32476569460626414
EOS-2-13264,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cc5F)n34)nc2)no1,KDHTVIISYWUAOA-UHFFFAOYSA-N,2,1,0.34,32,693,440.398,4.006,6,0.4,0.72,1.0,0.2622849701871016,0.3167363443218422,0.35616989925296416,0.3542337742443972,0.3223562470015763
EOS-2-13265,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,OZRBVVDYGCUVTQ-UHFFFAOYSA-N,2,1,0.429,77,722,440.398,4.163,6,0.424,0.62,1.0,0.7686244945514358,0.7296706874100473,0.6732660544171064,0.6293776985813172,0.7002347337399766
EOS-2-13266,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)c(F)c2)o1,ZCSZETIWDVKDAQ-UHFFFAOYSA-N,2,1,0.365,9,340,440.398,4.006,6,0.4,0.71,1.0,0.33061476252484406,0.43529401685970803,0.4518795833047769,0.43997155780960867,0.4144399801247344
EOS-2-13267,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)c(F)c5)n34)cc2)o1,HYMQYFJSRQHYLR-UHFFFAOYSA-N,2,1,0.346,9,340,440.398,4.006,6,0.4,0.69,1.0,0.34954766636967993,0.42607600575697346,0.4554776917277774,0.44657665684325953,0.4194195051744226
EOS-2-13268,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5F)n34)cc2)o1,ULEBZVWYAJLMLP-UHFFFAOYSA-N,2,1,0.365,9,340,440.398,4.006,6,0.4,0.71,1.0,0.3306233294496608,0.4353025837845247,0.4518881502295936,0.4399801247344253,0.4144485470495511
EOS-2-13269,Cn1cncc1-c1cc(COc2cncc3nnc(-c4c(F)ccc(F)c4F)n23)n(C)n1,ULIVTFIPLZZLOG-UHFFFAOYSA-N,2,1,0.429,36,877,440.389,2.922,5,0.391,0.56,0.998,0.49284661777808236,0.5909379069289288,0.6362141045850181,0.5966349119320129,0.5791583853060106
EOS-2-13270,c1cc(-c2nnco2)nc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1,FVMNJJCOPMBEHP-UHFFFAOYSA-N,2,1,0.353,6,584,440.387,1.39,6,0.395,0.48,1.0,0.4262730450277568,0.3504471934754301,0.02669453772873689,0.019378383935302584,0.20569829004180656
EOS-2-13271,c1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)on2)nn1,GOHPOQZSIZUDRL-UHFFFAOYSA-N,2,1,0.408,55,502,440.387,1.39,6,0.395,0.46,0.999,0.4349684737166747,0.36478822561853197,0.04355424576793914,0.041926530052772255,0.2213093687889795
EOS-2-13272,c1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cn2)n[nH]1,HGLFTASIOXSWKT-UHFFFAOYSA-N,2,1,0.386,80,584,440.387,1.39,6,0.395,0.47,1.0,0.4056010554451374,0.33573778356521145,0.03915941333698855,0.0297529298882873,0.20256279555890616
EOS-2-13273,c1cc(-c2nnco2)c(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)nn1,WEPBUZWTCXGUSJ-UHFFFAOYSA-N,2,1,0.446,71,614,440.387,1.39,6,0.395,0.48,1.0,0.41016722637242137,0.36019635391679805,0.054177232540607224,0.05356898087862381,0.21952744842711264
EOS-2-13274,c1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)o1,PVEQSOITQGUERP-UHFFFAOYSA-N,2,1,0.422,56,197,440.387,1.39,6,0.395,0.62,1.0,0.48792920293331504,0.38395243643341787,0.05601055445137414,0.04704955109313961,0.24373543622781166
EOS-2-13275,c1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)nc5)n34)nc2)o1,OBAQINXIEQQAAF-UHFFFAOYSA-N,2,1,0.443,71,843,440.387,1.39,6,0.395,0.64,1.0,0.38160509903365086,0.3217394284147762,0.06181036255225824,0.05103317113289014,0.2040470152833939
EOS-2-13276,Fc1ccc(-c2nnc3cncc(OCCc4ccoc4)n23)cc1-c1cncn1C(F)F,LMSWCOXYDVMCSN-UHFFFAOYSA-N,2,1,0.534,26,125,440.385,4.404,5,0.373,0.66,1.0,0.7829398259200877,0.6478651223356864,0.9241056130491399,0.8861370022616681,0.8102618908916455
EOS-2-13277,Fc1ccc(-c2nnc3cncc(OCc4ccoc4)n23)cc1-c1cnn(CC(F)F)c1,SUYUZMXXAVYURO-UHFFFAOYSA-N,2,1,0.5,16,394,440.385,4.231,5,0.377,0.72,1.0,0.5734271126036597,0.5426547186621891,0.8993472003289699,0.8623809197450483,0.7194524878349668
EOS-2-13278,c1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)no1,LZAJXXQQOHQGDC-UHFFFAOYSA-N,2,1,0.471,56,8,440.383,2.26,6,0.373,0.63,1.0,0.4679511342608457,0.3013501473511068,0.09990747721197998,0.0837759577821945,0.23824617915153176
EOS-2-13279,c1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)o1,MOMOUYHUBKBSPB-UHFFFAOYSA-N,2,1,0.471,71,117,440.383,2.26,6,0.373,0.61,1.0,0.47819717634158043,0.3553817421698307,0.10766911109588102,0.08919882119114522,0.25761171269960936
EOS-2-13280,c1cc(-c2nnc3cncc(OCc4cnc(-c5conn5)cn4)n23)ccc1-c1conn1,HFOZRNLYYAFSMD-UHFFFAOYSA-N,2,1,0.471,71,117,440.383,2.26,6,0.373,0.62,1.0,0.4034764580906038,0.29145534918785554,0.15139469536015351,0.13653964772805155,0.24571653759166612
EOS-2-13281,c1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nc2)no1,BUOMZTFXSDFFDY-UHFFFAOYSA-N,2,1,0.5,80,34,440.383,2.26,6,0.373,0.7,1.0,0.43989445548625866,0.3357463504900281,0.09493009389349599,0.0787471729148105,0.2373295181961483
EOS-2-13282,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)no2)nc1,NHQFDDXQNFRHPT-UHFFFAOYSA-N,2,1,0.432,80,34,440.383,2.26,6,0.373,0.68,1.0,0.40142896305942016,0.3167449112466589,0.03248577890480433,0.02893050510588719,0.19489753957919265
EOS-2-13283,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6conn6)cn5)n34)cn2)o1,DJBBBLXLBBNJBT-UHFFFAOYSA-N,2,1,0.424,80,843,440.383,2.26,6,0.373,0.62,1.0,0.33063189637447743,0.240070934137482,0.12195874169008293,0.10329141251456377,0.19898824617915153
EOS-2-13284,c1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)nc5)n34)nn2)co1,OQNPBHCONDRSPV-UHFFFAOYSA-N,2,1,0.449,6,826,440.383,2.26,6,0.373,0.57,1.0,0.3928534713179357,0.2914639161126722,0.08567781509149476,0.07290453018984305,0.2107249331779864
EOS-2-13285,c1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)no1,IBIGLVCAKWLURK-UHFFFAOYSA-N,2,1,0.494,56,8,440.383,2.26,6,0.373,0.62,1.0,0.6661469398944555,0.39341888835583577,0.08809368788979507,0.07491775752175998,0.3056443184154616
EOS-2-13286,FC(F)OCn1nnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n1,KTKAUNIKDKHAAO-UHFFFAOYSA-N,2,1,0.414,36,447,440.374,1.944,5,0.384,0.56,0.939,0.37480296072921665,0.44839284490439313,0.1930556507436091,0.22030703858542938,0.309139623740662
EOS-2-13287,COc1c(-c2nnc3cncc(Oc4cc(-c5nnnn5C)nn4C)n23)ccc(F)c1F,KDPJMYSWARXSLB-UHFFFAOYSA-N,2,1,0.4,36,292,440.374,1.794,5,0.402,0.58,0.946,0.47309985607566307,0.4658265369063121,0.12715886505380028,0.11459975327256527,0.2951712528270852
EOS-2-13288,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(O)cn5C(F)F)n34)nn2)cn1,GTSGDHBTLOTCDO-UHFFFAOYSA-N,2,1,0.361,53,44,440.374,1.858,5,0.42,0.55,0.701,0.3425484887944623,0.28606675347817145,0.2710917688986361,0.18893495990679185,0.2721604927695154
EOS-2-13289,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)no1,FXBVSHSVZQJXRA-UHFFFAOYSA-N,2,1,0.568,36,908,440.37,3.451,5,0.375,0.71,1.0,0.5028613528887671,0.5521468713590569,0.42626447810294016,0.380234391062984,0.465376773353437
EOS-2-13290,FC(F)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnn(C(F)F)c5)c4)n23)cn1,KETHUZMFTYBELO-UHFFFAOYSA-N,2,1,0.37,82,243,440.364,4.445,5,0.376,0.73,0.741,0.15245699403742033,0.3167534781714756,0.9489411280926598,0.9100558563498047,0.58205186416284
EOS-2-13291,FC(F)c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)nc1,VXXXKXAPCLYAKD-UHFFFAOYSA-N,2,1,0.373,27,243,440.364,4.309,5,0.379,0.72,0.331,0.010246042080734699,0.2044924953738606,0.9401600301555754,0.9056010554451374,0.515124905763827
EOS-2-13292,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(CC(F)(F)F)n5)n34)cc2)c1,AXDKUZPDPIBBND-UHFFFAOYSA-N,2,1,0.375,61,121,440.364,3.813,5,0.395,0.81,1.0,0.22985059283119733,0.44386094167637585,0.8025495168254403,0.8433709135768624,0.5799079912274689
EOS-2-13293,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cc1F,ICSSFDGIVIDJKN-UHFFFAOYSA-N,2,1,0.522,45,121,440.36,4.524,5,0.376,0.72,1.0,0.14968987732163663,0.6576142827770544,0.9818209855390309,0.9798334589815639,0.6922396511548214
EOS-2-13294,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1cc[nH]n1,LRQBZKSULOZOTK-UHFFFAOYSA-N,2,1,0.517,59,607,440.36,4.317,5,0.325,0.64,1.0,0.9548266054417106,0.9110838873278048,0.9770406414913303,0.9732283599479131,0.9540448735521897
EOS-2-13295,Cn1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1-c1ccc(F)c(F)c1,ZVMJTEOVFYGLCF-UHFFFAOYSA-N,2,1,0.427,13,570,440.36,4.541,5,0.384,0.78,1.0,0.4286546501267905,0.5289990405044205,0.9483071756562265,0.9530189843053938,0.7147449626482079
EOS-2-13296,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccn(C(F)F)n5)cc4)n23)cc1F,HUTVESLVXMZPJZ-UHFFFAOYSA-N,2,1,0.662,13,15,440.36,5.12,5,0.355,0.74,1.0,0.8104653553560414,0.863134809128915,0.9735967377150299,0.9617572476183949,0.9022385374545951
EOS-2-13297,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)cc4)n23)cc1F,WENIDKSPCLHPSF-UHFFFAOYSA-N,2,1,0.646,13,15,440.36,5.12,5,0.355,0.74,1.0,0.9298882873003906,0.8931704475361524,0.9840655198409979,0.977743129326297,0.9462168460009595
EOS-2-13298,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)c(F)c1,QGVUQEPDCHLFIM-UHFFFAOYSA-N,2,1,0.543,13,145,440.36,5.12,5,0.355,0.77,1.0,0.6050047974778974,0.8035004454800905,0.977357617709547,0.967274347200329,0.838284301966966
EOS-2-13299,FC(F)(F)Oc1ccc(Cl)c(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1,NTOVYPVUMNHRFN-UHFFFAOYSA-N,2,1,0.452,23,444,459.642,6.317,4,0.36,0.79,1.0,0.7885425947501885,0.9441779178945926,0.9994688506613666,0.9998800630525666,0.9330173565896787
EOS-2-13300,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3ccc(-n4nccn4)nn3)n12,AROOYNQQVQUGQG-UHFFFAOYSA-N,2,1,0.441,36,52,440.349,2.213,5,0.366,0.47,0.997,0.32277602631759306,0.4438695086011925,0.359939346172298,0.31633369885545887,0.36072964498663557
EOS-2-13301,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)nc1,VBDLLWMITFMNRG-UHFFFAOYSA-N,2,1,0.493,50,918,440.349,2.337,5,0.414,0.78,1.0,0.3794205332054006,0.48785210060996503,0.587553971626345,0.5294188198204373,0.496061356315537
EOS-2-13302,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4cnc(F)c(F)c4)c(F)n3)n12,MAEQVFHJTDMWIL-UHFFFAOYSA-N,2,1,0.351,36,223,440.349,1.768,5,0.376,0.66,1.0,0.43497704064149134,0.4484014118292098,0.24972585840586664,0.3163422657802755,0.3623616441642108
EOS-2-13303,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)no2)cn1,ZTRJSJYMTFGMSU-UHFFFAOYSA-N,2,1,0.443,27,69,440.345,3.287,5,0.367,0.72,0.998,0.5679528476458091,0.6332670824480844,0.5780703858542937,0.5091237749297512,0.5721035227194846
EOS-2-13304,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnoc5)cn4)n23)cn1,QWSMGQZVZCVZRG-UHFFFAOYSA-N,2,1,0.554,27,69,440.345,3.229,5,0.406,0.64,1.0,0.6962768144746762,0.6332756493729012,0.847226029744363,0.672812007401823,0.7123976252484409
EOS-2-13305,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)nc2F)o1,LUNRAMYCUDQGRO-UHFFFAOYSA-N,2,1,0.4,46,237,440.345,2.936,5,0.38,0.55,0.954,0.5360239188540882,0.5063223905147008,0.3936159276266191,0.40208004934548697,0.4595105715852238
EOS-2-13306,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)cc1,PLWRCEAFLAAYMU-UHFFFAOYSA-N,2,1,0.494,27,51,440.345,3.229,5,0.406,0.66,1.0,0.8408008361318621,0.6869731341237749,0.8614214241655815,0.7473271194571997,0.7841306284696045
EOS-2-13307,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nn2)o1,HXMLPKHBSOGAJN-UHFFFAOYSA-N,2,1,0.494,72,706,440.345,3.751,5,0.412,0.77,1.0,0.9093448015900213,0.7697467617024193,0.8045113426084572,0.667063600849839,0.7876666266876842
EOS-2-13308,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnco5)cn4)n23)cn1,LRJKMNFJFVSHPJ-UHFFFAOYSA-N,2,1,0.554,27,69,440.345,3.229,5,0.406,0.69,1.0,0.8183212254129257,0.7437033102597491,0.8293639915016106,0.6383472688643684,0.7574339490096634
EOS-2-13309,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)no4)n23)cn1,LRLKIUVNYLPVST-UHFFFAOYSA-N,2,1,0.547,27,69,440.345,3.229,5,0.406,0.74,1.0,0.6216417654718662,0.6529710095264204,0.6395123706394352,0.48380851209649783,0.5994834144335549
EOS-2-13310,Cc1nnc(-c2cc(F)c(-c3nnc4cncc(OCc5cncc(F)c5)n34)nc2F)o1,PTXZVUOBWKEDAF-UHFFFAOYSA-N,2,1,0.396,46,62,440.345,2.936,5,0.38,0.65,1.0,0.6874186142142417,0.5104516482763347,0.4045044890686039,0.41797169488040575,0.5050866116098965
EOS-2-13311,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3nccc(-c4ncon4)n3)n12,YDUUILSVZFBEJZ-UHFFFAOYSA-N,2,1,0.456,73,446,440.345,3.287,5,0.392,0.66,1.0,0.6994465766568433,0.7437118771845658,0.6425450620245357,0.6121410458501816,0.6744611404290316
EOS-2-13312,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nn4)n23)cc1,KGDIQVHIQKYLJN-UHFFFAOYSA-N,2,1,0.512,72,51,440.345,3.229,5,0.406,0.71,1.0,0.8236498526488931,0.7067198958261942,0.8490422178054965,0.7422040984168323,0.780404016174354
EOS-2-13313,Cc1nnc(-c2cnnc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)o1,OFOVVDBGHFUJGM-UHFFFAOYSA-N,2,1,0.477,72,706,440.345,3.751,5,0.412,0.73,1.0,0.8763621410458502,0.7739873894866699,0.8582345281337811,0.7260383112877802,0.8086555924885204
EOS-2-13314,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(C(F)F)c4)n23)cnn1,BURVEPOAIVICEE-UHFFFAOYSA-N,2,1,0.466,16,51,440.345,3.287,5,0.392,0.6,1.0,0.8155198409978754,0.6919162497429923,0.7875659653210884,0.707139675142211,0.7505354328010418
EOS-2-13315,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4noc(-c5ccncc5)n4)n23)cn1,SFDGVESRPDNTEF-UHFFFAOYSA-N,2,1,0.534,27,69,440.345,3.229,5,0.406,0.74,1.0,0.607771914193681,0.6098022753752314,0.7287368926050305,0.5524638475772736,0.6246937324378041
EOS-2-13316,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,RZFCKOWMLXSHLX-UHFFFAOYSA-N,2,1,0.658,13,996,440.341,4.374,5,0.384,0.66,1.0,0.9298968542252073,0.9427643752998424,0.9347371667466247,0.9008806798711535,0.9270697690357069
EOS-2-13317,COc1cc(-c2nnc3cncc(Oc4cc(F)cc(F)c4F)n23)ccc1-c1nnco1,HTBGRNDVSYOCIS-UHFFFAOYSA-N,2,1,0.467,13,209,440.341,4.06,5,0.377,0.62,1.0,0.8950037694469193,0.7949335206634227,0.8935045576040025,0.8295010622986773,0.8532357275032555
EOS-2-13318,Cc1nnc(-c2cnc(Cl)c(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)s1,ADRGKSJXXAGMOE-UHFFFAOYSA-N,2,1,0.451,22,46,440.319,4.987,5,0.368,0.76,1.0,0.23817764375299844,0.5063309574395175,0.5314234802275375,0.7071482420670276,0.49577008087177027
EOS-2-13319,Clc1cc(Cl)cc(Oc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,QSSGOUOJQREDEC-UHFFFAOYSA-N,2,1,0.519,13,110,440.315,6.014,5,0.342,0.77,1.0,0.6723151257624563,0.7160407100267288,0.8899235830306353,0.9303851689397574,0.8021661469398945
EOS-2-13320,Clc1cc(Cl)cc(Oc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1,QJMYQICOAQZKGL-UHFFFAOYSA-N,2,1,0.451,13,573,440.315,6.014,5,0.342,0.78,1.0,0.5935936536220958,0.6819871838804743,0.8804656980330341,0.9292543348639573,0.7713252175998904
EOS-2-13321,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(OC(F)(F)F)c4)n23)cc1F,SQMJJTMMAYIYNE-UHFFFAOYSA-N,2,1,0.653,23,240,440.303,4.686,4,0.422,0.78,1.0,0.995433829072716,0.9934291686656158,0.9992289767664999,0.9988605989993832,0.9967381433760537
EOS-2-13322,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cn1,BNUPCNVRLJQFFK-UHFFFAOYSA-N,2,1,0.386,45,730,459.699,5.743,5,0.345,0.75,1.0,0.05338050853265712,0.4260845726817901,0.9692875745322459,0.9910218627921321,0.6099436296347063
EOS-2-13323,Fc1cc(-c2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)ccc1-c1cc(Cl)[nH]n1,CJUNKTQIMFJZME-UHFFFAOYSA-N,2,1,0.368,45,102,459.699,5.948,5,0.362,0.75,1.0,0.3993214995545199,0.672246590363923,0.9783256802138305,0.9935491056130491,0.7608607189363307
EOS-2-13324,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c(Cl)c1,DXEBZPGICJWJMX-UHFFFAOYSA-N,2,1,0.388,45,102,440.269,4.7,5,0.407,0.76,1.0,0.31033685148379136,0.5244757042012199,0.8830700431773011,0.9356195600027414,0.6633755397162634
EOS-2-13325,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,XJIIKAVERQGCGC-UHFFFAOYSA-N,2,1,0.478,22,311,440.269,4.7,5,0.407,0.77,1.0,0.19388664245082585,0.497395654855733,0.7130080186416284,0.8831814131999177,0.5718679322870263
EOS-2-13326,Cn1nc(-c2ccc(Cl)c(F)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,DGDKXXMYLMOESJ-UHFFFAOYSA-N,2,1,0.441,45,316,440.269,4.7,5,0.407,0.81,1.0,0.2892022479610719,0.5756202453567267,0.7260811459118635,0.8761137002261669,0.6167543348639573
EOS-2-13327,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c(F)c2)n[nH]1,HAXOSMVRDBLJMD-UHFFFAOYSA-N,2,1,0.374,45,46,440.269,4.998,5,0.427,0.77,1.0,0.36314337605373176,0.5704972243163594,0.8568209855390309,0.917680419436639,0.6770355013364403
EOS-2-13328,Cn1nc(-c2cncc(Cl)c2)cc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,NVKOCEPPIFGKPP-UHFFFAOYSA-N,2,1,0.389,45,844,440.269,4.7,5,0.407,0.72,0.999,0.1967993968884929,0.46161160989651157,0.8456754163525461,0.9155472551572887,0.6049084195737098
EOS-2-13329,Cn1cc(-c2cncc3nnc(-c4cccc(Cl)c4F)n23)c(-c2ccc(Cl)cn2)n1,YVKBLAQZQSZBDN-UHFFFAOYSA-N,2,1,0.329,45,575,440.269,4.7,5,0.407,0.77,1.0,0.1767870605167569,0.40777705434857103,0.8108508669727914,0.8941556438900692,0.5723926564320472
EOS-2-13330,Cn1nc(-c2ccc(Cl)c(Cl)c2)nc1-c1cncc2nnc(-c3ccc(F)cc3)n12,ADFVOCXUKKZGGD-UHFFFAOYSA-N,2,1,0.441,45,316,440.269,4.7,5,0.407,0.78,1.0,0.2919179631279556,0.5660424234116921,0.7235367692413132,0.8747858268795833,0.614070745665136
EOS-2-13331,Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1-c1ccc(Cl)nc1F,CCUZKCBWTLCCEK-UHFFFAOYSA-N,2,1,0.437,45,46,440.269,4.7,5,0.381,0.74,1.0,0.20795353299979438,0.5104602152011514,0.8236926872729765,0.8983191693509698,0.610106401206223
EOS-2-13332,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)nn1,GJZBYHAEWUTVSC-UHFFFAOYSA-N,2,1,0.398,45,252,440.269,4.7,5,0.407,0.72,1.0,0.2133249948598451,0.4878606675347817,0.8877561510520183,0.9398516208621753,0.6321983585772051
EOS-2-13333,Cn1cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ncc(Cl)cc2F)n1,FCOYZBRBHFQDMG-UHFFFAOYSA-N,2,1,0.425,45,844,440.269,4.7,5,0.407,0.78,1.0,0.24096189431841547,0.5018418888355836,0.769755328627236,0.8803885957096841,0.5982369268727298
EOS-2-13334,Cn1nc(-c2ccc(-c3cncc4nnc(-c5c(F)cccc5Cl)n34)nc2)cc1Cl,SGMOEICNTGENOW-UHFFFAOYSA-N,2,1,0.375,45,140,440.269,4.7,5,0.407,0.69,1.0,0.22142073881159618,0.47908813652251386,0.8086148995956411,0.884594955794668,0.5984296826811049
EOS-2-13335,Cn1nc(-c2ccc(F)c(Cl)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,XGKUMQIHLUSQSA-UHFFFAOYSA-N,2,1,0.441,45,316,440.269,4.7,5,0.407,0.82,1.0,0.29192653005277225,0.5756288122815434,0.7260897128366801,0.8761222671509835,0.6174418305804948
EOS-2-13336,COc1cc(Cl)ccc1-c1nnc2cncc(-c3cnc(-c4nn[nH]n4)cc3Cl)n12,DKNQHPTYMUYCSV-UHFFFAOYSA-N,2,1,0.352,22,985,440.254,3.349,5,0.452,0.71,1.0,0.342557055719279,0.4702727708861627,0.4967874031937496,0.6057501199369474,0.47884183743403463
EOS-2-13337,Clc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)nn5)n4)n23)cc1,OUXZNPMZNCQWIH-UHFFFAOYSA-N,2,1,0.554,36,975,440.254,3.048,5,0.41,0.64,0.998,0.4656466314851621,0.6425450620245357,0.24601637996024947,0.4179802618052224,0.44304708381879243
EOS-2-13338,Cn1nc(-c2cncnn2)cc1Oc1cncc2nnc(-c3ccc(Cl)c(Cl)c3)n12,ROMJHHYWHBEYMB-UHFFFAOYSA-N,2,1,0.466,36,706,440.254,3.476,5,0.418,0.68,1.0,0.5620588033719416,0.6771383044342403,0.4728856829552464,0.5688866424508259,0.5702423583030636
EOS-2-13339,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cnc(Cl)n5)nn4)n23)cc1,SSVAIHMKRYDKAO-UHFFFAOYSA-N,2,1,0.549,36,32,440.254,3.048,5,0.41,0.66,1.0,0.4903450757316154,0.7067284627510109,0.29716948804057297,0.43074497978205745,0.48124700157631417
EOS-2-13340,Clc1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)c(Cl)c5)s4)n23)cc1,JZHJQEGALRKCCX-UHFFFAOYSA-N,2,1,0.448,45,730,459.749,5.937,5,0.334,0.75,1.0,0.28921081488588857,0.638047426495785,0.8310773764649442,0.9455057912411761,0.6759603522719485
EOS-2-13341,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cnnc(Cl)c5)on4)n23)cc1,MNFNRXRHOSTGOH-UHFFFAOYSA-N,2,1,0.556,4,32,440.25,4.122,5,0.402,0.71,1.0,0.6754249194709068,0.7949420875882394,0.6425536289493523,0.7314611746967309,0.7110954526763072
EOS-2-13342,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccccn5)o4)n23)c(Cl)c1,NLDJPBMTRRHCNI-UHFFFAOYSA-N,2,1,0.553,34,820,440.25,4.122,5,0.402,0.78,1.0,0.610479062435748,0.8151514632307587,0.40094064834487014,0.5655455417723254,0.5980291789459256
EOS-2-13343,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnoc5)cn4)n23)c(Cl)c1,JWVNEJUJTWGCPT-UHFFFAOYSA-N,2,1,0.536,73,401,440.25,4.122,5,0.402,0.58,1.0,0.5760485915975602,0.765497566993352,0.6650332396682886,0.742212665341649,0.6871980159002125
EOS-2-13344,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)c(Cl)c1,GPUCDZUQZPHIFS-UHFFFAOYSA-N,2,1,0.541,34,389,440.25,4.122,5,0.402,0.73,1.0,0.7177540949900624,0.8266739771091769,0.6512490576382701,0.7285998218079638,0.7310692378863684
EOS-2-13345,Clc1cncc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4ccon4)c3)n12,IUVGOCRERZFXHQ-UHFFFAOYSA-N,2,1,0.519,24,199,440.25,4.122,5,0.402,0.67,1.0,0.6134089507230485,0.5381056815845384,0.6597988486053047,0.7286083887327804,0.634980467411418
EOS-2-13346,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)cc1Cl,LUMMNPGXSOPSPM-UHFFFAOYSA-N,2,1,0.58,4,391,440.25,4.122,5,0.402,0.69,1.0,0.7330374888629977,0.8743831814131999,0.6950346103762594,0.7498372284284833,0.7630731272702351
EOS-2-13347,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cnco5)n4)n23)c(Cl)c1,HOXLSQLCIFTKBR-UHFFFAOYSA-N,2,1,0.518,73,446,440.25,4.122,5,0.402,0.7,1.0,0.7240593516551299,0.8631433760537317,0.5582636556781577,0.6526540333082037,0.6995301041738058
EOS-2-13348,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)c(Cl)c1,JEJSVIBBWWYXJQ-UHFFFAOYSA-N,2,1,0.561,4,10,440.25,4.122,5,0.402,0.69,1.0,0.6476595161400863,0.8266825440339935,0.6512576245630869,0.7286169556575971,0.713554160098691
EOS-2-13349,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)no4)n23)cc1,SZQXREJSXOOISL-UHFFFAOYSA-N,2,1,0.575,4,539,440.25,4.122,5,0.376,0.76,1.0,0.7146700020560619,0.8508327050921801,0.4759783428140635,0.6236635597285998,0.6662861524227264
EOS-2-13350,Clc1cccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)nc5)o4)n23)c1,DSNSWZFBMVILOS-UHFFFAOYSA-N,2,1,0.54,4,534,440.25,4.122,5,0.376,0.74,1.0,0.5707370982112261,0.769755328627236,0.47598690973888014,0.6236721266534165,0.6100378658076897
EOS-2-13351,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)no4)n23)c(Cl)c1,KBXHSNBVTIAJPN-UHFFFAOYSA-N,2,1,0.529,73,539,440.25,4.122,5,0.402,0.81,1.0,0.6077804811184977,0.782545747378521,0.45881022548146116,0.6121496127749982,0.6153215166883695
EOS-2-13352,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)nc5)o4)n23)cc1,ZSHIIUCZDKULII-UHFFFAOYSA-N,2,1,0.568,34,32,440.25,4.122,5,0.376,0.74,1.0,0.7742358303063532,0.8978479884860531,0.50038551161675,0.6413542594750189,0.7034558974710439
EOS-2-13353,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccoc5)nn4)n23)c(Cl)c1,HZNLUKVCBYRNJA-UHFFFAOYSA-N,2,1,0.524,73,446,440.25,4.122,5,0.402,0.75,1.0,0.5734356795284764,0.7911640737440888,0.5247327119457199,0.6728205743266397,0.6405382598862313
EOS-2-13354,COc1cc(Cl)ccc1-c1nnc2cncc(-c3nnc(-c4ccc(Cl)nc4)o3)n12,MUVQGPMTIYDSCW-UHFFFAOYSA-N,2,1,0.376,22,985,440.25,4.219,5,0.383,0.79,0.988,0.5287677335343705,0.6236978274278665,0.5383712562538551,0.629386265506134,0.5800557706805565
EOS-2-13355,Clc1ncccc1COc1cncc2nnc(-c3ccc(-c4ncco4)nc3Cl)n12,UOLZUOVISVVYHW-UHFFFAOYSA-N,2,1,0.476,24,28,440.25,4.122,5,0.376,0.67,1.0,0.6754334863957234,0.6380559934206017,0.5146408745116853,0.5876139401000616,0.603936073607018
EOS-2-13356,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)cc1Cl,DVRKECBMPPBUCJ-UHFFFAOYSA-N,2,1,0.603,73,391,440.25,4.122,5,0.402,0.73,1.0,0.8262370639435268,0.8476886436844631,0.6762216434788568,0.7395654855732986,0.7724282091700363
EOS-2-13357,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4Cl)n23)c1,WRRGOXXEKNRQRK-UHFFFAOYSA-N,2,1,0.548,4,712,440.25,4.122,5,0.402,0.69,1.0,0.5593088205057912,0.6722551572887396,0.6650418065931053,0.7422212322664656,0.6597067541635255
EOS-2-13358,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5cc(Cl)ccn5)n4)n23)cc1,HSMOKPTUVURYMY-UHFFFAOYSA-N,2,1,0.562,34,335,440.25,4.122,5,0.402,0.81,1.0,0.6784661777808237,0.7481666780892331,0.4187255842642725,0.602460420807347,0.611954715235419
EOS-2-13359,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5ccnc(Cl)c5)no4)n23)cc1,GNWYTERAHGESKE-UHFFFAOYSA-N,2,1,0.556,4,539,440.25,4.122,5,0.376,0.78,1.0,0.7210437941196628,0.8074240970461243,0.4832773627578644,0.6264820779932835,0.6595568329792337
EOS-2-13360,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cn5)n4)n23)cc1,QMFYRZWWUIRVLJ-UHFFFAOYSA-N,2,1,0.562,34,335,440.25,4.122,5,0.402,0.79,1.0,0.7420755945445823,0.8266911109588102,0.41504180659310536,0.5906980330340621,0.6436266362826399
EOS-2-13361,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ncco5)nc4Cl)n23)nc1,FZXVVVFKNMFSPZ-UHFFFAOYSA-N,2,1,0.561,24,28,440.25,4.122,5,0.376,0.63,0.998,0.5464412994311562,0.6284096360770338,0.490096634911932,0.5688952093756425,0.5584606949489411
EOS-2-13362,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5ccccn5)n4)n23)cc1Cl,NYDGCMGUAQCZNT-UHFFFAOYSA-N,2,1,0.523,59,756,440.25,4.122,5,0.402,0.81,1.0,0.6631056815845384,0.7697638955520526,0.4297169488040573,0.5751319306421767,0.6094296141457063
EOS-2-13363,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)nc5)n4)n23)cc1,OUZODWILTNGRPZ-UHFFFAOYSA-N,2,1,0.575,97,335,440.25,4.122,5,0.376,0.71,1.0,0.7771999862929203,0.8035090124049071,0.47980775820711397,0.6236806935782332,0.6710493626207937
EOS-2-13364,Cn1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)c(Cl)c5)o4)n23)cc1=O,XCCMSYBOFXPTAX-UHFFFAOYSA-N,2,1,0.337,22,730,440.25,3.514,5,0.423,0.68,0.999,0.3608817079021315,0.3793434308820506,0.534918785552738,0.6670721677746556,0.4855540230278939
EOS-2-13365,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5ccccn5)n4)n23)c(Cl)c1,JNGVQJKELBSKHZ-UHFFFAOYSA-N,2,1,0.517,24,446,440.25,4.122,5,0.402,0.79,1.0,0.5360324857789048,0.7019052840792269,0.38265026386128437,0.5492341169213899,0.5424555376602015
EOS-2-13366,Fc1cc(Cl)cc(-c2nncc(-c3cncc4nnc(-c5ncc(Cl)cn5)n34)n2)c1,ZNSQTKFQHDTLHI-UHFFFAOYSA-N,2,1,0.38,50,844,440.229,3.546,5,0.419,0.65,0.999,0.26492358303063535,0.44387807552600916,0.42972551572887396,0.6642193818107053,0.4506866390240559
EOS-2-13367,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5OC(F)F)n34)o2)ccn1,RXHQCJOOTNOPNO-UHFFFAOYSA-N,2,1,0.357,22,121,459.775,4.297,5,0.358,0.67,0.429,0.659893084778288,0.8508412720169968,0.8726355287505997,0.8900435199780686,0.8183533513809882
EOS-2-13368,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)no2)cc1F,ISUKMLPWNXWOAU-UHFFFAOYSA-N,2,1,0.506,73,756,459.775,3.886,5,0.39,0.7,1.0,0.7538808169419505,0.7569649098759509,0.7675279281749023,0.8335360838873278,0.7779774347200329
EOS-2-13369,FC(F)(F)Oc1ccccc1-c1nnc2cncc(-c3cn(-c4ncc(Cl)cn4)nn3)n12,OEBYYLMGGZKVAO-UHFFFAOYSA-N,2,1,0.407,50,243,459.779,3.381,5,0.402,0.65,1.0,0.09624083339044616,0.3888098828044685,0.7790932766774039,0.770269344116236,0.5086033342471387
EOS-2-13370,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4C(F)F)n23)c(Cl)cn1,HZABJTARMKYRQJ-UHFFFAOYSA-N,2,1,0.543,90,255,440.212,5.149,4,0.402,0.72,1.0,0.9442892879172092,0.9669573709821122,0.9909875950928655,0.9938403810568158,0.9740186587622508
EOS-2-13371,Fc1cc(Cl)c(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1C(F)F,QVIFUURRNYVGGW-UHFFFAOYSA-N,2,1,0.519,90,255,440.212,5.149,4,0.402,0.75,1.0,0.912446028373655,0.9343088205057912,0.9916729490781989,0.9933606332670825,0.9579471078061819
EOS-2-13372,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4Cl)n23)cnc1Cl,PFLFZHIJWKQOAC-UHFFFAOYSA-N,2,1,0.58,23,627,440.212,4.532,4,0.337,0.65,1.0,0.9502604345144267,0.9719690219998629,0.9762867521074635,0.984348228359948,0.9707161092454253
EOS-2-13373,FC(F)(F)c1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1Cl,NGWDABRMTRYGFD-UHFFFAOYSA-N,2,1,0.597,90,255,440.212,5.091,4,0.442,0.69,1.0,0.9271640052086902,0.9698701254197793,0.9958193406894661,0.9952367898019328,0.972022565279967
EOS-2-13374,Fc1ccc(-c2coc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)cc1Cl,ONXIHEGEZWFUHT-UHFFFAOYSA-N,2,1,0.371,96,140,459.79,5.925,5,0.313,0.85,1.0,0.5104002467274347,0.7782451511205538,0.9961877184565828,0.9962990884791995,0.8202830511959427
EOS-2-13375,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)cc1Cl,OFSMCCDWEPAIEP-UHFFFAOYSA-N,2,1,0.337,22,331,459.794,4.85,5,0.361,0.76,1.0,0.23551333013501474,0.5521554382838736,0.989762524844082,0.9886916592419985,0.6915307381262422
EOS-2-13376,Fc1cc(-c2nnc3cncc(-c4cccc(-c5cnn(C(F)F)n5)c4)n23)c(F)cc1Cl,HAYLXIAOJDGTNF-UHFFFAOYSA-N,2,1,0.321,45,102,459.794,5.044,5,0.278,0.63,1.0,0.34493866081831265,0.5660509903365089,0.9520166541018436,0.9594270440682613,0.7056083373312316
EOS-2-13377,Fc1ccc(-c2nocc2-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cc5)o4)n23)cc1,DPGDJGKBZFLPRC-UHFFFAOYSA-N,2,1,0.38,3,950,459.828,4.956,6,0.364,0.77,1.0,0.3227845932424097,0.42609313960660683,0.6036512233568638,0.7524587074223836,0.526246915907066
EOS-2-13378,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5ncc(Cl)o5)cn4)n23)cc1,UXPNNRSDYVTTKO-UHFFFAOYSA-N,2,1,0.36,32,20,459.828,4.956,6,0.364,0.72,1.0,0.39069460626413544,0.49740422178054966,0.5940391337125626,0.6788773901720239,0.5402538379823179
EOS-2-13379,N#Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5ccc(O)c(Cl)c5)cc4F)n23)cn1,JQCYLKHVGOFXFQ-UHFFFAOYSA-N,2,1,0.396,13,412,459.828,4.41,5,0.419,0.73,1.0,0.8360975944075115,0.860170653142348,0.8947724624768693,0.8817593036803509,0.86820000342677
EOS-2-13380,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(Cl)n6)o5)n34)o2)cc1,OTDDGKIZAWPKNJ-UHFFFAOYSA-N,2,1,0.325,76,541,459.828,4.956,6,0.34,0.77,0.967,0.24629052155438283,0.34061236378589543,0.5484887944623398,0.6788859570968405,0.45356940922486466
EOS-2-13381,N#Cc1ccc(-c2nnc3cncc(OCc4ncnnc4-c4cncc(Cl)c4)n23)cc1F,UHMIUBTXXKEPOR-UHFFFAOYSA-N,2,1,0.442,16,772,459.832,3.281,5,0.388,0.56,0.985,0.8613785895414982,0.8743917483380166,0.6705246384757727,0.7341768898636145,0.7851179665547254
EOS-2-13382,N#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cnn2)cc1F,WTQKNEAYFODFFJ-UHFFFAOYSA-N,2,1,0.412,55,875,459.832,3.281,5,0.363,0.49,1.0,0.7913268453156055,0.7992341169213899,0.7313326708244808,0.7286255225824139,0.7626297889109726
EOS-2-13383,N#Cc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccnc(F)c1,JPKWXNHSQHMXPF-UHFFFAOYSA-N,2,1,0.354,51,196,459.832,3.281,5,0.363,0.64,0.999,0.6784747447056405,0.7481752450140498,0.5383798231786718,0.572005003084093,0.6342587039956138
EOS-2-13384,Fc1cc(-c2ncco2)ccc1-c1nnc2cncc(-c3cnn(-c4nccc(Cl)n4)c3)n12,JQEZQGPGXBFUHV-UHFFFAOYSA-N,2,1,0.31,42,151,459.832,3.882,6,0.365,0.65,0.998,0.06402062915495854,0.16539305051058872,0.47289424988006307,0.5361181550270715,0.30960652114317044
EOS-2-13385,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(Cl)c(F)n5)n4)n23)cc1,MMTSXZMVJCMLDS-UHFFFAOYSA-N,2,1,0.5,7,408,459.832,3.281,5,0.388,0.71,1.0,0.904632992940854,0.9207216777465561,0.6005671304228634,0.6293948324309506,0.7638291583853061
EOS-2-13386,N#Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4Cl)n23)ncn1,HWGKCRZONOWQPD-UHFFFAOYSA-N,2,1,0.432,4,354,459.832,3.281,5,0.363,0.63,0.98,0.7055804948255774,0.8111678431910082,0.6456291549585361,0.6441727777397026,0.7016375676787061
EOS-2-13387,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)cn2)cc1Cl,GEVGCAJTPOJEHU-UHFFFAOYSA-N,2,1,0.261,10,673,459.832,3.882,6,0.39,0.73,0.994,0.05505962579672401,0.18215852237680763,0.630131587965184,0.6961226098279761,0.39086808649167293
EOS-2-13388,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nn1,SSPZGKAGRXZNDP-UHFFFAOYSA-N,2,1,0.321,3,783,459.832,3.882,6,0.39,0.67,1.0,0.08894181344664519,0.28607532040298816,0.5875625385511617,0.6819786169556576,0.4111395723391132
EOS-2-13389,COc1ncc(-c2ncc(F)nn2)cc1-c1cncc2nnc(-c3ccc(Cl)c(C#N)c3)n12,YECUIRYTJOPYPN-UHFFFAOYSA-N,2,1,0.36,50,216,459.832,3.378,5,0.397,0.65,0.992,0.5789442121855939,0.7481838119388664,0.6216417654718662,0.6236892605030498,0.6431147625248441
EOS-2-13390,Fc1cc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)ccc1-c1cnco1,KAJMATSSWCHENH-UHFFFAOYSA-N,2,1,0.333,3,158,459.832,3.882,6,0.39,0.65,1.0,0.13320711397436777,0.31676204509629224,0.4410852580357755,0.6088856144198479,0.37498500788157085
EOS-2-13391,N#Cc1cc(Cl)ccc1COc1cncc2nnc(-c3cnnc(-c4cncnc4)c3F)n12,LPRNOSGXZDVSIV-UHFFFAOYSA-N,2,1,0.473,55,817,459.832,3.281,5,0.388,0.62,0.999,0.7742443972311699,0.7739959564114866,0.7441230895757659,0.7799585360838873,0.7680804948255774
EOS-2-13392,Fc1cccc(Cl)c1-n1nnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,KZSVXGXXACNZHS-UHFFFAOYSA-N,2,1,0.317,3,973,459.836,3.012,6,0.426,0.64,1.0,0.07560311150709341,0.30135871427592353,0.2280686724693304,0.3958433280789528,0.25021845658282504
EOS-2-13393,N#Cc1ccc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)cc1,YPYCCGGRTCQZLA-UHFFFAOYSA-N,2,1,0.538,83,163,459.843,6.054,5,0.327,0.79,1.0,0.9763038859570968,0.9909019258446988,0.9883746830237817,0.9927352477554657,0.9870789356452607
EOS-2-13394,N#Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)cc5)cc4F)n23)cc1F,YBBPLEKKPSFIMG-UHFFFAOYSA-N,2,1,0.512,83,163,459.843,6.054,5,0.327,0.78,1.0,0.9637362072510451,0.9795079158385306,0.9895740524981153,0.9942258926735659,0.9817610170653143
EOS-2-13395,N#Cc1ccc(Oc2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,FIJBPUPXCRSHQS-UHFFFAOYSA-N,2,1,0.391,83,533,459.843,6.054,5,0.327,0.84,1.0,0.7997566993352067,0.904864299910904,0.9890172023850319,0.9942344595983825,0.9219681653073812
EOS-2-13396,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc(Cl)s5)nc4)n23)cc1,ZALPCGBOMXGXLD-UHFFFAOYSA-N,2,1,0.377,96,121,459.844,5.044,5,0.376,0.78,1.0,0.3495562332944966,0.5861832636556782,0.947159207730793,0.9303937358645741,0.7033231101363855
EOS-2-13397,N#Cc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)c(Cl)c1,DTZDZLJJICLTKH-UHFFFAOYSA-N,2,1,0.374,96,859,459.847,5.378,5,0.358,0.79,0.95,0.3816136659584676,0.6146168871221986,0.977691727777397,0.9777516962511137,0.7379184942772943
EOS-2-13398,COc1nnc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5csc(F)n5)n34)c2)o1,GTJMFQFKKNUAAO-UHFFFAOYSA-N,2,1,0.467,4,554,459.85,3.678,5,0.375,0.73,1.0,0.6162274689877322,0.7481923788636831,0.29336577342197245,0.27953018984305394,0.48432895277911037
EOS-2-13399,O=[N+]([O-])c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)nc1,JKONCKWYHIDCAV-UHFFFAOYSA-N,2,1,0.523,1,22,459.853,4.389,5,0.27,0.73,1.0,0.7114916729490782,0.5198409978754026,0.5582722226029745,0.4117264066890549,0.5503328250291275
EOS-2-13400,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nnc6c(Cl)cccn56)n34)cc2)n1,OJCJTWURVPAFQD-UHFFFAOYSA-N,2,1,0.461,56,428,459.857,3.425,6,0.381,0.66,1.0,0.6134175176478651,0.6237063943526832,0.12716743197861696,0.18894352683160853,0.3883087177026935
EOS-2-13401,Cc1nnc(-c2ncn(C)c2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)o1,QWHQSSHDJOLOHW-UHFFFAOYSA-N,2,1,0.253,50,844,459.861,2.989,6,0.421,0.53,0.398,0.12186450551709958,0.24007950106229867,0.05975430059625797,0.11226098279761497,0.13348982249331778
EOS-2-13402,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5cc(Cl)c(F)cc5F)n34)s2)n1,ZUVPJKGBXCNGJX-UHFFFAOYSA-N,2,1,0.512,73,10,459.869,4.159,5,0.367,0.63,1.0,0.46565519840997877,0.667294907819889,0.6512661914879035,0.687641354259475,0.6179644129943116
EOS-2-13403,Cn1ncc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1-c1cc(F)c(F)cn1,ZHTKIDAWXMKXHY-UHFFFAOYSA-N,2,1,0.489,73,486,459.869,4.159,5,0.392,0.55,0.985,0.47559283119731344,0.5290076074292372,0.633095743951751,0.6961311767527928,0.5834568398327736
EOS-2-13404,FC(F)n1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)s4)n23)cc1,JZYDJPMFAKZUOJ-UHFFFAOYSA-N,2,1,0.506,27,22,459.869,4.739,5,0.365,0.67,1.0,0.7115002398738949,0.6919248166678089,0.7917980261805222,0.777414159413337,0.7431593105338907
EOS-2-13405,FC(F)n1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)c1,ZHZATASSLXSORO-UHFFFAOYSA-N,2,1,0.452,27,823,459.869,4.739,5,0.365,0.69,0.997,0.6189346172297991,0.7113974367760949,0.8310859433897608,0.8024638475772736,0.7409704612432322
EOS-2-13406,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)[nH]n2)nc1F,LGSNMXOXLIVTHX-UHFFFAOYSA-N,2,1,0.404,58,963,459.869,4.191,5,0.383,0.58,0.678,0.7115088067987115,0.5955554794051128,0.6362226715098348,0.6961397436776094,0.6598566753478171
EOS-2-13407,Fc1cc(-c2ccc(-c3nnc4cncc(OC5Cc6cnncc6C5)n34)cc2Cl)ccn1,MBWCVNWTYJPCLQ-UHFFFAOYSA-N,2,1,0.477,35,202,459.872,3.982,6,0.375,0.56,1.0,0.8565725447193475,0.917063600849839,0.8343842094441779,0.8747943938043999,0.870703687204441
EOS-2-13408,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cncnc4)c(C4CC4)n3)n12,MNOYXKLTYGASSS-UHFFFAOYSA-N,2,1,0.396,13,971,459.872,5.106,6,0.361,0.68,0.996,0.6162360359125488,0.6869817010485916,0.5417380577068056,0.7071568089918443,0.6380281509149476
EOS-2-13409,Clc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3ccc(-c4csnn4)cn3)n12,PWNLSUBRMWBXGC-UHFFFAOYSA-N,2,1,0.37,98,572,459.882,4.075,6,0.383,0.65,1.0,0.15782845589747105,0.3167706120211089,0.382658830786101,0.4653724898910287,0.33065759714892745
EOS-2-13410,Clc1cnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)s2)nc1,ARNVGEXLGQQQMA-UHFFFAOYSA-N,2,1,0.316,38,787,459.882,4.075,6,0.383,0.62,1.0,0.2271605784387636,0.3647967925433486,0.09991604413679665,0.1889520937564252,0.22020637721883352
EOS-2-13411,Clc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)nn2)o1,SNSNBQSJJAPYJT-UHFFFAOYSA-N,2,1,0.333,76,272,459.882,4.075,6,0.383,0.66,1.0,0.17987115345075733,0.3013672812007402,0.1130748406551984,0.19434068946610925,0.1971634911932013
EOS-2-13412,Clc1cccc(-c2ncsc2-c2nnc3cncc(-c4nnc(-c5cccnn5)o4)n23)c1,OOMJKWWSQHGIES-UHFFFAOYSA-N,2,1,0.362,10,541,459.882,4.075,6,0.383,0.67,0.998,0.15246556096223698,0.24998286615036666,0.10767767802069769,0.24957165375916662,0.189924439723117
EOS-2-13413,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nn2)nn1,YPGVBKRSOIRGMM-UHFFFAOYSA-N,2,1,0.314,76,37,459.886,3.001,6,0.391,0.58,0.895,0.010254609005551368,0.135031868960318,0.11029059008978137,0.18896066068124187,0.11113443218422314
EOS-2-13414,Clc1cc(-c2nn[nH]n2)ncc1-c1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,DSKSHCRTFNESBV-UHFFFAOYSA-N,2,1,0.313,98,63,459.886,3.205,6,0.421,0.65,1.0,0.1578370228222877,0.27056061956000277,0.24602494688506613,0.3610530463984648,0.25886890891645536
EOS-2-13415,COCc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,FCDLJRORWZWWJZ-UHFFFAOYSA-N,2,1,0.462,97,91,459.897,4.022,5,0.336,0.66,1.0,0.6162446028373655,0.5909464738537454,0.5940477006373792,0.5460472208895895,0.5868214995545199
EOS-2-13416,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnccn1,BXDBGLMTISUDNM-UHFFFAOYSA-N,2,1,0.54,35,604,459.897,3.927,5,0.337,0.72,1.0,0.8700654513055993,0.7608885614419848,0.6036597902816805,0.5127475841272017,0.6868403467891167
EOS-2-13417,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)cc1=O,KPJIKMNWGLXTHJ-UHFFFAOYSA-N,2,1,0.551,15,922,459.897,3.222,5,0.384,0.7,1.0,0.6189431841546159,0.5909550407785621,0.45189671715441027,0.46857651977246245,0.5325928654650127
EOS-2-13418,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C6COC6)c5)c4)n23)cc1,UVEKVDMPZOLPRC-UHFFFAOYSA-N,2,1,0.558,16,256,459.897,3.854,6,0.38,0.68,1.0,0.5360410527037215,0.6380645603454184,0.5719193338359263,0.6151651703104654,0.5902975292988829
EOS-2-13419,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)ccc1=O,IBEWSROYSWHHEW-UHFFFAOYSA-N,2,1,0.54,91,889,459.897,3.222,5,0.359,0.71,1.0,0.6994551435816599,0.6673034747447056,0.4519052840792269,0.4559060379686108,0.5686424850935508
EOS-2-13420,CCOc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)cn1,TZHQUFWCKJCNRO-UHFFFAOYSA-N,2,1,0.478,55,879,459.897,4.274,5,0.332,0.77,1.0,0.6994637105064766,0.681995750805291,0.5908008361318621,0.48668699883489824,0.6147368240696319
EOS-2-13421,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,ZPCFOYNBXMCISX-UHFFFAOYSA-N,2,1,0.446,18,840,459.897,3.411,5,0.394,0.7,1.0,0.5593173874306079,0.5152748269481187,0.5751319306421767,0.5655541086971421,0.5538195634295113
EOS-2-13422,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cccnn1,CCUGVKWOHCNFFU-UHFFFAOYSA-N,2,1,0.52,72,925,459.897,3.927,5,0.337,0.74,1.0,0.8840466726064012,0.7740045233363032,0.6036683572064971,0.5294273867452539,0.6977867349736138
EOS-2-13423,COCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)cn1,RTZPAKBSVHALCD-UHFFFAOYSA-N,2,1,0.506,55,879,459.897,4.022,5,0.336,0.72,1.0,0.6244431498869166,0.6146254540470153,0.6362312384346515,0.5591032143101912,0.6086007641696937
EOS-2-13424,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cncnc1,DHWZAZLXWUKODA-UHFFFAOYSA-N,2,1,0.534,35,215,459.897,3.927,5,0.337,0.67,1.0,0.8783925022274005,0.7992426838462066,0.665050373517922,0.5815828250291275,0.7310670961551642
EOS-2-13425,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnc5C)nn4)n23)ccc1Cl,QYDPMHKVDJEWRD-UHFFFAOYSA-N,2,1,0.563,4,67,459.897,4.193,5,0.372,0.7,1.0,0.6358114591186348,0.7992512507710232,0.5484973613871564,0.462348365430745,0.6114771091768898
EOS-2-13426,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)cc1=O,HNYNNFKTTSJHOI-UHFFFAOYSA-N,2,1,0.511,15,848,459.897,3.222,5,0.359,0.68,1.0,0.5789527791104105,0.5808803371941608,0.4187341511890892,0.439988691659242,0.5046389897882256
EOS-2-13427,OCc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)ccn1,XLSOJFTUYLFCNB-UHFFFAOYSA-N,2,1,0.515,35,76,459.897,3.411,5,0.394,0.77,1.0,0.7146785689808787,0.7437204441093825,0.5811887464875608,0.5623243780412583,0.65047803440477
EOS-2-13428,COc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1-c1ccccn1,BTPUPBSPINLRRS-UHFFFAOYSA-N,2,1,0.505,11,846,459.897,3.927,5,0.361,0.66,1.0,0.7629274895483518,0.7019138510040436,0.4297340826536906,0.39287060516756905,0.5718615070934138
EOS-2-13429,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cccnc1,VLZAVTRPBVPBNK-UHFFFAOYSA-N,2,1,0.474,49,501,459.897,3.927,5,0.361,0.77,0.984,0.7115173737235282,0.6048762936056473,0.39741964224521964,0.367598176958399,0.5203528716331985
EOS-2-13430,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccncn1,YZVMJVXSTCZCHB-UHFFFAOYSA-N,2,1,0.528,35,729,459.897,3.927,5,0.337,0.65,1.0,0.9152731135631553,0.7825543143033377,0.6301401548900006,0.5392193818107053,0.7167967411417998
EOS-2-13431,COc1cc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,JKWJVEYJHITCCI-UHFFFAOYSA-N,2,1,0.489,4,248,459.897,4.193,5,0.372,0.67,1.0,0.6329072716057844,0.5660595572613255,0.5683640600370091,0.45924713864711125,0.5566445068878075
EOS-2-13432,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2)ccc1=O,RQCVMQMBMHCENB-UHFFFAOYSA-N,2,1,0.483,15,922,459.897,3.222,5,0.384,0.69,1.0,0.6565091494757042,0.614634020971832,0.4446662326091426,0.4592557055719279,0.5437662771571516
EOS-2-13433,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccccn1,WSYLBOITCHVKTK-UHFFFAOYSA-N,2,1,0.457,49,501,459.897,3.927,5,0.337,0.72,1.0,0.7686330614762524,0.6146425878966486,0.38992358303063535,0.3512439174833802,0.5311107874717291
EOS-2-13434,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cccnn1,BPCAPIRFFQQOFP-UHFFFAOYSA-N,2,1,0.526,72,925,459.897,3.927,5,0.361,0.77,1.0,0.8589198821191145,0.7740130902611199,0.5875711054759784,0.5294359536700706,0.6874850078815709
EOS-2-13435,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cc1=O,ZWWUKCJPYLVVDT-UHFFFAOYSA-N,2,1,0.505,15,470,459.897,3.222,5,0.384,0.63,1.0,0.4584247138647111,0.4261017065314235,0.44109382496059213,0.4746590363922966,0.45006982043725585
EOS-2-13436,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccncn1,WBBOQMALXIZEIV-UHFFFAOYSA-N,2,1,0.528,35,777,459.897,3.927,5,0.337,0.66,1.0,0.9108954149818381,0.7911726406689055,0.6186090740867658,0.5257693098485368,0.7116116098965115
EOS-2-13437,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cc1=O,PDNGEZYQMVRVKR-UHFFFAOYSA-N,2,1,0.522,35,619,459.897,3.222,5,0.384,0.77,1.0,0.5411897745185388,0.4831831265848811,0.4798163251319306,0.4866955657597149,0.4977211979987664
EOS-2-13438,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2)cn1,PZWTWXLZVSTMSB-UHFFFAOYSA-N,2,1,0.461,49,529,459.897,3.927,5,0.337,0.8,1.0,0.7481495442395998,0.7205297786306627,0.5485059283119731,0.46235693235556163,0.6198855458844492
EOS-2-13439,OCc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,KZVTYVGBBWPEKD-UHFFFAOYSA-N,2,1,0.516,35,426,459.897,3.411,5,0.394,0.71,1.0,0.6536906312110204,0.6673120416695223,0.5450363237612227,0.5392279487355219,0.6013167363443219
EOS-2-13440,Cc1cccc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)n2)n1,GWODSOPHNWIYMX-UHFFFAOYSA-N,2,1,0.484,4,92,459.897,3.676,5,0.409,0.75,0.917,0.7023507641696937,0.8151600301555754,0.5213145089438695,0.48670413268453155,0.6313823589884175
EOS-2-13441,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cncc(Cl)c4)nn3)n12,XVBDHTNCPRHORQ-UHFFFAOYSA-N,2,1,0.49,54,54,459.897,3.927,5,0.361,0.71,0.994,0.7210523610444795,0.6237149612774998,0.4832859296826811,0.4623654992803783,0.5726046878212596
EOS-2-13442,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5nncn5C5COC5)cc4)n23)c1,CQGNOZVRRWSBKL-UHFFFAOYSA-N,2,1,0.598,43,520,459.897,3.854,6,0.38,0.71,1.0,0.7857840449592214,0.652979576451237,0.5146494414365019,0.6024689877321636,0.638970512644781
EOS-2-13443,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cccnn1,PNYIPUDGWLGINT-UHFFFAOYSA-N,2,1,0.505,72,925,459.897,3.927,5,0.337,0.71,1.0,0.810473922280858,0.7655061339181687,0.49679597011856624,0.4465852237680762,0.6298403125214173
EOS-2-13444,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cc1=O,BJXKKKDUVMGHPS-UHFFFAOYSA-N,2,1,0.529,15,470,459.897,3.222,5,0.359,0.68,1.0,0.4704355424576794,0.4353111507093414,0.507530326913851,0.5127561510520183,0.4815082927832226
EOS-2-13445,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccc(C)nn1,HXTVUHMKLGUQMZ-UHFFFAOYSA-N,2,1,0.489,72,591,459.897,4.193,5,0.372,0.67,1.0,0.6994722774312933,0.6193715303954492,0.6125522582413817,0.512764717976835,0.6110401960112398
EOS-2-13446,COCc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,FNXJGJGYZJAMJT-UHFFFAOYSA-N,2,1,0.494,97,91,459.897,4.022,5,0.336,0.68,1.0,0.5905266945377288,0.5426632855870057,0.587579672400795,0.5330683297923378,0.5634594955794667
EOS-2-13447,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccncn1,MWSZUTGLQHHKJL-UHFFFAOYSA-N,2,1,0.515,35,777,459.897,3.927,5,0.361,0.68,1.0,0.903082379549037,0.7782537180453705,0.6156534850250154,0.5392365156603386,0.7090565245699404
EOS-2-13448,COc1nc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1-c1ccc(Cl)cc1,CRJZOUABENQQKV-UHFFFAOYSA-N,2,1,0.5,49,384,459.897,3.927,5,0.361,0.75,1.0,0.7714515797409361,0.7067370296758275,0.48679836885751493,0.4716349119320129,0.6091554725515729
EOS-2-13449,Cn1nc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)ccc1=O,CZFQJYKXAFGKJS-UHFFFAOYSA-N,2,1,0.474,72,848,459.897,3.222,5,0.359,0.71,1.0,0.5152748269481187,0.5198495648002193,0.3340243986018779,0.3676067438832157,0.43418888355835783
EOS-2-13450,COc1ncncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,PPWGTBVEUKYNCS-UHFFFAOYSA-N,2,1,0.547,15,669,459.897,3.927,5,0.337,0.68,1.0,0.9310191213761908,0.8799345486944007,0.5751404975669934,0.4867126996093482,0.7182017168117332
EOS-2-13451,COc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)n1,KNZJGGYCPYUNRK-UHFFFAOYSA-N,2,1,0.42,11,157,459.897,3.927,5,0.337,0.77,1.0,0.5875368377767116,0.5381142485093551,0.4519138510040436,0.3990559248852032,0.49415521554382835
EOS-2-13452,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc(=O)n2C)cn1,NAZXBNHMHAYZMW-UHFFFAOYSA-N,2,1,0.522,16,214,459.897,3.488,5,0.396,0.68,1.0,0.5028699198135838,0.4570026043451443,0.5683726269618258,0.5361267219518882,0.5160929682681106
EOS-2-13453,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cn1,FTVFXKJNINWPRZ-UHFFFAOYSA-N,2,1,0.516,35,76,459.897,3.927,5,0.361,0.8,1.0,0.8310945103145775,0.8304434240285107,0.5485144952367899,0.47164347885682956,0.6704239771091769
EOS-2-13454,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cncnc1,BMVKUBPFNWAPLN-UHFFFAOYSA-N,2,1,0.521,35,215,459.897,3.927,5,0.361,0.64,1.0,0.8803200603111507,0.7992598176958399,0.662600233020355,0.5937992598176959,0.7339948427112604
EOS-2-13455,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccccn1,MEQRYFGJAKEDKV-UHFFFAOYSA-N,2,1,0.478,49,501,459.897,3.927,5,0.337,0.7,1.0,0.7657031731889521,0.609810842300048,0.3790264546638339,0.33836782948392846,0.5232270749091906
EOS-2-13456,COc1nc(-c2ccnc(Cl)c2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,ZUFVBZPTRXDLME-UHFFFAOYSA-N,2,1,0.506,35,710,459.897,3.927,5,0.337,0.74,1.0,0.6843687889795079,0.6146511548214653,0.4729028168048797,0.41487046809677197,0.5466983071756563
EOS-2-13457,COc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)c1,UFGHBURXMODGGI-UHFFFAOYSA-N,2,1,0.464,87,173,459.897,3.927,5,0.337,0.72,1.0,0.7115259406483448,0.7782622849701871,0.5075388938386677,0.4495922143787266,0.6117298334589816
EOS-2-13458,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)ccn2)cn1,VHJIZJNPIIHAFF-UHFFFAOYSA-N,2,1,0.662,75,583,459.897,3.411,5,0.394,0.73,1.0,0.6244517168117333,0.6529881433760537,0.5450448906860393,0.5430830649030224,0.5913919539442122
EOS-2-13459,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cc1=O,XGDQZQQUAXITNQ-UHFFFAOYSA-N,2,1,0.535,15,470,459.897,3.222,5,0.359,0.7,1.0,0.497729764923583,0.43531971763415805,0.4933863340415324,0.4988263313001165,0.4813155369748475
EOS-2-13460,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cnccn1,LPONMYNYEQCAKA-UHFFFAOYSA-N,2,1,0.534,35,729,459.897,3.927,5,0.337,0.72,1.0,0.870074018230416,0.7655147008429855,0.6125608251661984,0.5294445205948872,0.6943985162086217
EOS-2-13461,OCc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,WOJDLJLOBXVTLX-UHFFFAOYSA-N,2,1,0.51,35,981,459.897,3.411,5,0.394,0.71,1.0,0.7997652662600233,0.815168597080392,0.5075474607634843,0.5059454458227675,0.6571066924816669
EOS-2-13462,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccccn1,GODYAAAHDVGAGV-UHFFFAOYSA-N,2,1,0.462,49,501,459.897,3.927,5,0.361,0.76,0.996,0.7686416284010692,0.6193800973202659,0.3751370707970667,0.35125248440819684,0.5286028202316497
EOS-2-13463,COc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)c(Cl)c4)n23)c1,YDEAOHFQTRMHGH-UHFFFAOYSA-N,2,1,0.551,15,202,459.897,3.927,5,0.361,0.7,1.0,0.8183297923377424,0.8440905352614625,0.6362398053594681,0.5815913919539442,0.7200628812281542
EOS-2-13464,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ccccn1,DEZBEQBXXRBQCY-UHFFFAOYSA-N,2,1,0.458,49,501,459.897,3.927,5,0.361,0.72,0.982,0.7023593310945103,0.5909636077033787,0.3263741347405935,0.31322390514700843,0.48323024467137277
EOS-2-13465,OCc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,SEBKHSMOYCXYGZ-UHFFFAOYSA-N,2,1,0.517,35,426,459.897,3.411,5,0.368,0.69,1.0,0.6692310328284559,0.6869902679734082,0.5616475909807416,0.5392450825851552,0.6142784935919402
EOS-2-13466,COc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,XLCGBTQGEAXXLI-UHFFFAOYSA-N,2,1,0.443,18,367,459.897,3.927,5,0.361,0.73,1.0,0.5875454047015284,0.5808889041189774,0.49339490096634914,0.44319272154067574,0.5262554828318827
EOS-2-13467,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cccnc1,HMZOTXLWWIIDDU-UHFFFAOYSA-N,2,1,0.527,72,103,459.897,3.927,5,0.361,0.7,1.0,0.7913354122404221,0.7740216571859365,0.49010520183674866,0.45926427249674456,0.628681635939963
EOS-2-13468,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1ccncc1,HKWBTPIPFMLCNO-UHFFFAOYSA-N,2,1,0.489,35,103,459.897,3.927,5,0.361,0.7,1.0,0.7538893838667672,0.7067455966006443,0.5109399629908848,0.4716520457816462,0.6108067473099856
EOS-2-13469,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ncncc5C)nc4)n23)ccc1Cl,KMGYWBFRPJORQX-UHFFFAOYSA-N,2,1,0.495,16,67,459.897,4.193,5,0.372,0.72,1.0,0.8912942910013022,0.837271263107395,0.6036769241313138,0.5026471797683504,0.7087224145020904
EOS-2-13470,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccccn1,FRXXGNNMBGPXER-UHFFFAOYSA-N,2,1,0.474,49,501,459.897,3.927,5,0.361,0.64,0.869,0.717762661914879,0.5955640463299294,0.3227588924679597,0.30055342334315677,0.48415975601398126
EOS-2-13471,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ccccn1,ANENXYHNFNZXHZ-UHFFFAOYSA-N,2,1,0.495,72,777,459.897,3.927,5,0.361,0.69,1.0,0.79977383318484,0.7697724624768693,0.4226663696799397,0.3928791720923857,0.5962729593585087
EOS-2-13472,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1ncccn1,DYJJVGZCSZQDST-UHFFFAOYSA-N,2,1,0.59,49,896,459.897,3.927,5,0.361,0.72,1.0,0.8334675484887945,0.6820043177301076,0.3637344938660818,0.34148619011719555,0.5551731375505449
EOS-2-13473,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccccn1,NWTJGCIUICABNI-UHFFFAOYSA-N,2,1,0.454,49,769,459.897,3.927,5,0.337,0.64,0.997,0.690399904050442,0.5955726132547461,0.2933743403467891,0.27648893153313686,0.4639589472962785
EOS-2-13474,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1cnncn1,YVWQFAONZQWVPF-UHFFFAOYSA-N,2,1,0.667,91,309,459.897,3.927,5,0.361,0.66,1.0,0.9194280720992393,0.8569323555616476,0.6762302104036735,0.6179065862517991,0.7676243060790898
EOS-2-13475,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)c2)cc1=O,UFUBDMZODDWCMP-UHFFFAOYSA-N,2,1,0.527,35,470,459.897,3.222,5,0.384,0.7,1.0,0.44684223151257624,0.4125316976218217,0.5182475498595024,0.5361352888767048,0.4784391919676513
EOS-2-13476,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cnccn1,RHDYDSJRRVCJPW-UHFFFAOYSA-N,2,1,0.511,15,777,459.897,3.927,5,0.337,0.71,1.0,0.85006168185868,0.7437290110341992,0.5109485299157015,0.4465937906928929,0.6378332533753684
EOS-2-13477,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cn2)cc1=O,PXQKMNBTLBUBBV-UHFFFAOYSA-N,2,1,0.573,84,73,459.897,3.222,5,0.384,0.78,1.0,0.5386710986224384,0.5426718525118224,0.4658265369063121,0.4959050099376328,0.5107686244945515
EOS-2-13478,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cc1=O,PBXAPZAFNZLEBZ-UHFFFAOYSA-N,2,1,0.474,15,848,459.897,3.222,5,0.359,0.77,1.0,0.5309951339867042,0.4878692344595984,0.39362449455143583,0.4084195737098211,0.45522710917688985
EOS-2-13479,CCOc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(Cl)c4)n23)c1,OVEOEOYGZZKHGG-UHFFFAOYSA-N,2,1,0.522,4,71,459.897,4.274,5,0.355,0.69,1.0,0.6565177164005209,0.7296792543348639,0.6456377218833528,0.5689037763004592,0.6501846172297993
EOS-2-13480,Cc1cnc(-c2nc(C)ncc2-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,GKIPOVPRAQVJBF-UHFFFAOYSA-N,2,1,0.463,65,530,459.901,3.325,5,0.352,0.63,1.0,0.6244602837365499,0.667320608594339,0.17363443218422314,0.17243506270988965,0.4094625968062504
EOS-2-13481,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)c(C)n1,FMIADBXJAIVFSD-UHFFFAOYSA-N,2,1,0.414,31,194,459.901,3.325,5,0.376,0.64,0.995,0.6020663422657803,0.5381228154341717,0.20714824206702762,0.19987492289767664,0.3868030806661641
EOS-2-13482,Cc1ccc(-c2nc(C)ncc2-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,KQESCOZNTXVXOD-UHFFFAOYSA-N,2,1,0.457,87,602,459.901,3.325,5,0.376,0.65,1.0,0.5815999588787609,0.647873689260503,0.1361027345624015,0.1365482146528682,0.37553114933863346
EOS-2-13483,Cc1nc(-c2cncnc2C)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,KJHCLGGJWYBAHM-UHFFFAOYSA-N,2,1,0.418,31,851,459.901,3.325,5,0.352,0.67,1.0,0.5541686656157906,0.510468782125968,0.21063498046741141,0.19988348982249332,0.36878897950791584
EOS-2-13484,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(C)nc5Cl)n34)cn2)n1,CVAUWXYONUJKSQ-UHFFFAOYSA-N,2,1,0.469,65,579,459.901,3.325,5,0.376,0.67,1.0,0.6329158385306011,0.7391542731820986,0.08076040024672744,0.08545507504626139,0.38457139675142216
EOS-2-13485,Cc1ncc(-c2nc(C)ncc2-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,MWFQHDPSIPRHSV-UHFFFAOYSA-N,2,1,0.5,51,454,459.901,3.325,5,0.376,0.6,1.0,0.6754420533205401,0.6624631622232884,0.16075834418477145,0.15365636351175382,0.41307998081008845
EOS-2-13486,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)nnc1C,YNFROBRCKCLWCR-UHFFFAOYSA-N,2,1,0.406,31,194,459.901,3.325,5,0.376,0.63,0.093,0.5335652114317044,0.452599204989377,0.1896717154410253,0.19989205674730998,0.34393204715235415
EOS-2-13487,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)c(C)n1,WAVCPOGAQVSRFN-UHFFFAOYSA-N,2,1,0.388,31,194,459.901,3.325,5,0.352,0.68,0.999,0.5541772325406072,0.5063395243643342,0.1481820985539031,0.1436244945514358,0.33808083750257006
EOS-2-13488,Cc1ccc(-c2nc(C)ncc2-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nn1,KHABEHRLXRGVAQ-UHFFFAOYSA-N,2,1,0.463,31,241,459.901,3.325,5,0.352,0.61,0.999,0.5964121718867795,0.6284182030018505,0.15426461517373724,0.15906209307107122,0.3845392707833596
EOS-2-13489,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccn1,DEZBTGAAYMPSIF-UHFFFAOYSA-N,2,1,0.452,75,567,459.901,3.537,5,0.375,0.59,1.0,0.4656637653347954,0.519858131725036,0.1422452196559523,0.13233328764306765,0.3150251010897128
EOS-2-13490,Cc1cc(-c2nnc3cncc(OCCc4cccc(-c5cncc(F)c5)c4)n23)ccc1Cl,YJECLERLTPEWNK-UHFFFAOYSA-N,2,1,0.639,91,222,459.912,5.576,5,0.332,0.78,1.0,0.9720375573983963,0.9729970529778631,0.9285004454800905,0.9313789322184909,0.9512284970187103
EOS-2-13491,Cc1cccc(C)c1COc1cncc2nnc(-c3cc(-c4cc(Cl)ccn4)ccc3F)n12,CNSICZATCCNZAO-UHFFFAOYSA-N,2,1,0.494,57,709,459.912,5.842,5,0.33,0.75,1.0,0.8784010691522172,0.8407151668836954,0.9165838530601056,0.9076913851004044,0.8858478685491057
EOS-2-13492,CCc1ccccc1COc1cncc2nnc(-c3cc(F)cc(-c4ccc(Cl)nc4)c3)n12,IXIXTVVOVVYBQT-UHFFFAOYSA-N,2,1,0.506,1,962,459.912,5.787,5,0.301,0.69,1.0,0.8361061613323282,0.8440991021862793,0.9267527928174902,0.9176889863614557,0.8811617606743883
EOS-2-13493,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccco4)s3)n12,BTNBTOPPGOINLT-UHFFFAOYSA-N,2,1,0.375,76,272,459.922,5.229,6,0.359,0.68,0.998,0.06567404564457542,0.2860838873278048,0.26052018367486807,0.44320128846549245,0.2638698512781852
EOS-2-13494,Cc1nc(-c2ccc(C#N)cc2)cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)n1,VKOUXFSPPNMPLD-UHFFFAOYSA-N,2,1,0.415,44,500,459.922,4.722,5,0.374,0.69,1.0,0.7629360564731684,0.72508738263313,0.6216503323966829,0.6441813446645193,0.6884637790418752
EOS-2-13495,Cn1nc(-c2ccc(Cl)s2)cc1-c1cncc2nnc(-c3ccc(-c4ccco4)cn3)n12,XGYQNDFHXSMMNX-UHFFFAOYSA-N,2,1,0.29,76,387,459.922,5.229,6,0.359,0.69,0.999,0.07986944006579398,0.20450106229867726,0.4481358371598931,0.5257778767733534,0.3145710540744294
EOS-2-13496,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc6nccn6c5)c4)n23)s1,LQCYIMIARMVSMC-UHFFFAOYSA-N,2,1,0.478,97,183,459.922,4.795,6,0.368,0.65,1.0,0.5789613460352272,0.7250959495579467,0.6186176410115825,0.6583339044616544,0.6452522102666026
EOS-2-13497,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,BBEPWDASXSQCHV-UHFFFAOYSA-N,2,1,0.406,21,452,459.94,6.841,6,0.289,0.85,1.0,0.31551127407305873,0.4616201768213282,0.9258532657117401,0.9550150777876774,0.6644999485984511
EOS-2-13498,Clc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)n1,VSKOVHDTXXYXHE-UHFFFAOYSA-N,2,1,0.418,21,810,459.94,6.841,6,0.271,0.84,1.0,0.34722602974436295,0.4305650743609074,0.9213641971078061,0.9463453498732095,0.6613751627715715
EOS-2-13499,Clc1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)ccc1-c1ccccc1,AGCVUHCQKIKSLW-UHFFFAOYSA-N,2,1,0.394,21,452,459.94,6.841,6,0.289,0.77,1.0,0.2892193818107052,0.4395260777191419,0.917577616338839,0.9499263244465767,0.6490623500788157
EOS-2-13500,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)c(C)n1,WYXKFNAPKQRYQL-UHFFFAOYSA-N,2,1,0.704,84,73,459.941,4.653,5,0.352,0.78,1.0,0.4237543691316565,0.3982849016517031,0.4045130559934206,0.41173497361387157,0.40957182509766293
EOS-2-13501,O=c1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)ss1,QAFLNJJITNTACE-UHFFFAOYSA-N,2,1,0.518,1,31,459.965,4.63,5,0.356,0.61,1.0,0.5789699129600439,0.5861918305804948,0.2788534027825372,0.36106161332328146,0.4512691899115894
EOS-2-13502,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)s1,OBAISEWNBOIMOZ-UHFFFAOYSA-N,2,1,0.6,15,922,439.953,5.251,5,0.361,0.69,1.0,0.917911726406689,0.9187941196628059,0.5875882393256117,0.6355287505996847,0.7649557089986978
EOS-2-13503,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)s1,JEZYKPOYRVOVDI-UHFFFAOYSA-N,2,1,0.561,4,655,439.953,5.517,5,0.361,0.75,1.0,0.5816085258035776,0.6673291755191556,0.5844441779178946,0.5907065999588788,0.6060221197998766
EOS-2-13504,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)s1,GGGVQEPWQZNTNI-UHFFFAOYSA-N,2,1,0.553,15,848,439.953,5.251,5,0.361,0.7,1.0,0.779967103008704,0.7911812075937221,0.571927900760743,0.6264906449181002,0.6923917140703173
EOS-2-13505,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)ccn2)n1,OZNRYIHOVKBXHO-UHFFFAOYSA-N,2,1,0.489,92,779,439.892,2.713,5,0.397,0.62,1.0,0.3354636419710781,0.44840997875402644,0.036495099719004866,0.062427181139058326,0.22069897539579192
EOS-2-13506,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ncn2)cn1,XVUZVPKWTFCBMM-UHFFFAOYSA-N,2,1,0.419,31,194,439.892,2.713,5,0.397,0.55,0.999,0.38406380645603455,0.33575491741484476,0.08323624151874442,0.10971660612706463,0.2281928928791721
EOS-2-13507,Cn1nc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)cc1-c1ccccn1,BMBHARFQWPAVGD-UHFFFAOYSA-N,2,1,0.435,53,477,439.892,2.713,5,0.397,0.62,1.0,0.2836937153039545,0.3064903022411075,0.01568603933931876,0.035963950380371465,0.16045850181618806
EOS-2-13508,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nn2C)s1,PZTPOPSTOSRWHN-UHFFFAOYSA-N,2,1,0.424,53,105,439.892,2.979,5,0.411,0.62,0.998,0.23250633952436434,0.2093585086697279,0.052249674456856965,0.08203687204441094,0.14403784867384004
EOS-2-13509,Cn1nncc1-c1cnnc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,WFFIOGWWQOLAJT-UHFFFAOYSA-N,2,1,0.412,53,466,439.892,2.713,5,0.397,0.61,0.998,0.3907031731889521,0.3745973545336166,0.10768624494551436,0.15907065999588788,0.2580143581659927
EOS-2-13510,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)c2)cn1,HYVYIWQZJUGSTI-UHFFFAOYSA-N,2,1,0.398,92,711,439.892,2.713,5,0.397,0.67,1.0,0.2566736344321842,0.29147248303748885,0.052258241381673634,0.0873140977314783,0.1719296141457063
EOS-2-13511,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCc4cnc(Cl)s4)n23)c1,CNVLRZNFSFYQBS-UHFFFAOYSA-N,2,1,0.392,92,643,439.892,3.154,5,0.397,0.66,0.917,0.31309540127475843,0.27571790829963677,0.11616750051401549,0.1279555890617504,0.2082340997875403
EOS-2-13512,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)cc1,CUBQZRNEFLBOTO-UHFFFAOYSA-N,2,1,0.512,36,475,439.892,2.713,5,0.397,0.64,1.0,0.4679597011856624,0.5955811801795627,0.04692104722088959,0.0930368035090124,0.3008746830237818
EOS-2-13513,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)s2)n1C,WBOJXVCOFHJNHC-UHFFFAOYSA-N,2,1,0.375,51,924,439.892,2.979,5,0.411,0.63,1.0,0.264932149955452,0.23438249605921457,0.020766225755602767,0.029761496813103968,0.1374605921458433
EOS-2-13514,Cn1nc(-c2nnc3cncc(OCCc4cncnn4)n23)cc1-c1ccc(Cl)s1,ZGNXVROMGKDIOV-UHFFFAOYSA-N,2,1,0.379,31,569,439.892,2.713,5,0.397,0.6,0.962,0.34015831677061203,0.2965269686793229,0.05976286752107463,0.10530463984648071,0.2004381982043726
EOS-2-13515,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)s5)n34)ncn2)cn1,SUASVGUFCXNUNZ-UHFFFAOYSA-N,2,1,0.413,31,194,439.892,2.713,5,0.397,0.62,1.0,0.3330220683983277,0.2860924542526215,0.09733739976697965,0.1097251730518813,0.20654427386745253
EOS-2-13516,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,KTLFZYGWNNOSLI-UHFFFAOYSA-N,2,1,0.495,31,510,439.892,2.713,5,0.397,0.73,1.0,0.5565331368651909,0.6529967103008704,0.05788671098622439,0.10329997943938043,0.34267913439791653
EOS-2-13517,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nn2C)sn1,BJHIYZDQSXQAGS-UHFFFAOYSA-N,2,1,0.398,7,694,439.892,2.979,5,0.411,0.55,0.913,0.11928586114728257,0.2093670755945446,0.06563977794530876,0.07875573983962716,0.11826211363169076
EOS-2-13518,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)c1,ZWZMVBFLFPVABR-UHFFFAOYSA-N,2,1,0.506,36,931,439.892,2.713,5,0.397,0.61,1.0,0.3562641354259475,0.4616287437461449,0.028964772805153863,0.0579638133095744,0.22620536632170513
EOS-2-13519,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)ccn2)c1,NQDAYZAGIJQFST-UHFFFAOYSA-N,2,1,0.483,65,779,439.892,2.713,5,0.397,0.67,1.0,0.39513227331916934,0.49231546843944896,0.04057295593173874,0.0709769721060928,0.24974941744911244
EOS-2-13520,Cn1nc(-c2nnc3cncc(OCCc4cncs4)n23)cc1-c1ccc(Cl)nn1,XHFYNWJRRMWERW-UHFFFAOYSA-N,2,1,0.424,53,569,439.892,2.713,5,0.397,0.62,0.996,0.37712459735453363,0.3309060379686108,0.054185799465423894,0.08732266465629497,0.21238477486121585
EOS-2-13521,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1-c1cnc(=N)[nH]c1,HHEFPDGMNYLPLQ-UHFFFAOYSA-N,2,1,0.402,95,694,439.892,2.688,5,0.434,0.68,0.838,0.21885066136659584,0.23439106298403126,0.1965081214447262,0.18896922760605853,0.20967976835035296
EOS-2-13522,Cn1nc(-c2nnc3cncc(OCCc4nncs4)n23)cc1-c1ccc(Cl)nc1,QFOLULZSWOZOBR-UHFFFAOYSA-N,2,1,0.398,95,235,439.892,2.713,5,0.371,0.65,1.0,0.33783668014529505,0.3648053594681653,0.054194366390240556,0.09907648550476321,0.21397822287711601
EOS-2-13523,Cn1nc(-c2nnc3cncc(OCCc4cncs4)n23)cc1-c1cnc(Cl)nc1,DDIBWEDEJIRCRS-UHFFFAOYSA-N,2,1,0.44,65,462,439.892,2.713,5,0.371,0.68,0.899,0.3449472277431293,0.3262027962442602,0.0832448084435611,0.10112398053594682,0.21387970324172437
EOS-2-13524,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)o1,DDKYEUKJLGAHRU-UHFFFAOYSA-N,2,1,0.5,58,954,439.888,3.881,5,0.392,0.66,0.998,0.6784833116304572,0.7391628401069152,0.1514032622849702,0.1860222054691248,0.4387679048728668
EOS-2-13525,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5scnc5Cl)n34)c2)o1,UMYMJQJOOHGZLP-UHFFFAOYSA-N,2,1,0.427,18,840,439.888,3.881,5,0.392,0.6,1.0,0.5411983414433555,0.5198666986498527,0.1542731820985539,0.18077068055650744,0.3490272256870674
EOS-2-13526,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)no1,QHBFEZLRAMOVGO-UHFFFAOYSA-N,2,1,0.517,75,819,439.888,3.881,5,0.392,0.71,1.0,0.647668083064903,0.6478822561853197,0.14225378658076895,0.1807792474813241,0.4046458433280789
EOS-2-13527,COc1cc(-c2nnc3cncc(OCc4ncn(-c5ccsc5)n4)n23)ccc1Cl,YSYFRSLZMWUGNQ-UHFFFAOYSA-N,2,1,0.451,36,975,439.888,3.675,5,0.398,0.66,1.0,0.4262816119525735,0.5615533548077583,0.3637430607908985,0.34803988760194643,0.4249044787882942
EOS-2-13528,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ns4)n23)cc1O,KWOPDUKBPFJXEA-UHFFFAOYSA-N,2,1,0.5,16,55,439.888,3.586,5,0.446,0.6,1.0,0.5515814543211569,0.5334709752587211,0.4045216229182373,0.3865310808032349,0.4690262833253376
EOS-2-13529,Cc1coc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ccn2)n1,KYZHTAILHRQBFX-UHFFFAOYSA-N,2,1,0.531,75,583,439.888,3.881,5,0.392,0.6,1.0,0.6189517510794326,0.5567730107600576,0.11617606743883216,0.1389212528270852,0.35770552052635185
EOS-2-13530,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)no1,WUZSREXMCQZBKP-UHFFFAOYSA-N,2,1,0.489,87,510,439.888,3.881,5,0.392,0.74,1.0,0.6300887533411007,0.7296878212596807,0.13932389829346858,0.17502227400452333,0.4185306867246933
EOS-2-13531,COc1cc(-c2nnc3cncc(OCc4cc(-c5cncs5)n[nH]4)n23)ccc1Cl,JJZDLUXYQXINCG-UHFFFAOYSA-N,2,1,0.451,16,67,439.888,3.879,5,0.428,0.64,0.993,0.5287763004591872,0.6478908231101363,0.5283136865190871,0.47166061270646287,0.5441603556987183
EOS-2-13532,Cc1onnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,QPKLRRCGCBMMOE-UHFFFAOYSA-N,2,1,0.495,58,954,439.888,3.881,5,0.392,0.64,0.96,0.6244688506613666,0.7525615105201837,0.15428174902337058,0.20293331505722706,0.433561356315537
EOS-2-13533,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)n1,NQHCEPXKQFZGQI-UHFFFAOYSA-N,2,1,0.484,58,579,439.888,3.881,5,0.392,0.74,1.0,0.6506151052018367,0.7067541635254609,0.15141182920978685,0.18347782879857447,0.42306473168391473
EOS-2-13534,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)o1,GABFWTDQDKHYDE-UHFFFAOYSA-N,2,1,0.468,87,838,439.888,3.881,5,0.392,0.62,1.0,0.5991621547529299,0.60031868960318,0.19306421766842574,0.22936227811664725,0.4054768350352957
EOS-2-13535,OCc1cc(-c2nnc3cncc(OCc4cn(-c5ccsc5)nn4)n23)ccc1Cl,BIERGHIZMVVAOK-UHFFFAOYSA-N,2,1,0.547,36,677,439.888,3.158,5,0.433,0.72,1.0,0.3155198409978754,0.49232403536426567,0.4759954766636968,0.5127732849016517,0.4491531594818724
EOS-2-13536,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cocn1,IRAYUPNWRHITPT-UHFFFAOYSA-N,2,1,0.523,4,61,439.884,4.749,5,0.377,0.71,1.0,0.7629446233979851,0.7482009457884997,0.6626087999451716,0.5815999588787609,0.6888385820026044
EOS-2-13537,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ccon1,MBJJPHBYVVAKEP-UHFFFAOYSA-N,2,1,0.539,11,848,439.884,4.488,5,0.416,0.56,0.999,0.8209941059557261,0.8151771640052087,0.5616561579055582,0.5655626756219587,0.690847525872113
EOS-2-13538,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cnco1,JLSUIZQAPRSKEO-UHFFFAOYSA-N,2,1,0.524,97,83,439.884,4.749,5,0.377,0.71,1.0,0.730193269823864,0.7296963881844973,0.6868788979507916,0.5995819340689467,0.686587622507025
EOS-2-13539,Brc1ccc(-c2nnc3cncc(OCc4ccccc4Br)n23)cc1,DSBMMMBAJOTKAG-UHFFFAOYSA-N,2,1,0.754,48,17,460.129,4.895,4,0.435,0.83,1.0,0.9851792200671647,0.9742820917003633,0.8865910492769515,0.9019772462476869,0.9370074018230417
EOS-2-13540,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c1,DUBNQHGEMKJPAE-UHFFFAOYSA-N,2,1,0.322,3,7,439.87,4.083,6,0.444,0.72,1.0,0.023507641696936466,0.18216708930162429,0.6036854910561305,0.6759389349599068,0.3713247892536495
EOS-2-13541,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cc1,FGDRYVQSTNCIKE-UHFFFAOYSA-N,2,1,0.346,3,7,439.87,4.083,6,0.444,0.73,1.0,0.030284079226920703,0.18217565622644097,0.615662051949832,0.6848742375436914,0.37824900623672125
EOS-2-13542,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cc1,SMILWHVXIRBDKJ-UHFFFAOYSA-N,2,1,0.337,3,783,439.87,4.083,6,0.444,0.64,1.0,0.04421389897882256,0.24514255362894935,0.5213230758686862,0.6294033993557673,0.36002073195805634
EOS-2-13543,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cn5)n34)cn2)c1,SMGHLAMBTJABGI-UHFFFAOYSA-N,2,1,0.29,10,673,439.87,4.083,6,0.444,0.77,0.482,0.0032811322047837706,0.11176410115824824,0.5349273524775546,0.6264992118429169,0.3191179494208759
EOS-2-13544,N#Cc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,QIUCOPXQMCBJTE-UHFFFAOYSA-N,2,1,0.553,1,929,439.866,4.352,5,0.401,0.79,1.0,0.8565811116441642,0.9621855938592283,0.8086234665204578,0.8414262216434789,0.8672040984168323
EOS-2-13545,N#Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nc5)n4)n23)cc1,ONXYMXXFNWTOPI-UHFFFAOYSA-N,2,1,0.506,1,436,439.866,4.352,5,0.375,0.76,1.0,0.8477657460078131,0.9244739908162566,0.8198547049551093,0.819503461037626,0.8528994757042012
EOS-2-13546,N#Cc1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)ccc1Cl,UJBMNVBBVWSHFX-UHFFFAOYSA-N,2,1,0.573,43,433,439.866,4.352,5,0.401,0.79,1.0,0.9571739428414776,0.9485898841751764,0.8854773490507847,0.877578644369817,0.917204955109314
EOS-2-13547,N#Cc1ccc(-c2cncc(COc3cncc4nnc(-c5cccc(Cl)c5)n34)n2)cc1,JUNFGTILWJFVEN-UHFFFAOYSA-N,2,1,0.552,1,230,439.866,4.352,5,0.401,0.8,1.0,0.7302018367486807,0.9024055924885204,0.8045199095332739,0.8374169008292783,0.8186360598999384
EOS-2-13548,N#Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cccnc5)n34)c2)ccc1Cl,DXSQOQGAFJLWTF-UHFFFAOYSA-N,2,1,0.477,97,884,439.866,4.352,5,0.401,0.73,1.0,0.7686501953258859,0.8111764101158249,0.8887841820300185,0.8861455691864848,0.8386890891645535
EOS-2-13549,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)c4)n23)cc1,OWKNQQSQPQAMDU-UHFFFAOYSA-N,2,1,0.549,97,91,439.866,4.352,5,0.375,0.75,1.0,0.9571825097662943,0.9262473442533068,0.8910886848057021,0.8846035227194846,0.914780515386197
EOS-2-13550,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccccc5)ncn4)n23)ccc1Cl,UAFQZYWQHPMFES-UHFFFAOYSA-N,2,1,0.506,1,347,439.866,4.352,5,0.401,0.73,1.0,0.8287728736892606,0.9399715578096086,0.819863271879926,0.8295096292234939,0.8545293331505723
EOS-2-13551,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)cn2)c1,PNCNKGNYIBKYEY-UHFFFAOYSA-N,2,1,0.33,10,673,439.866,4.952,6,0.386,0.71,0.792,0.014940716880268658,0.1247344253306833,0.6924559660064423,0.7678106366938524,0.3999854362278117
EOS-2-13552,N#Cc1ncccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,ADVGRRGNNGIYSZ-UHFFFAOYSA-N,2,1,0.59,97,232,439.866,4.352,5,0.401,0.76,1.0,0.9517339455828936,0.9638133095743951,0.7985401960112398,0.7959786854910561,0.8775165341648962
EOS-2-13553,N#Cc1ccc(COc2cncc3nnc(-c4cccnc4-c4cccc(Cl)c4)n23)cn1,JBZXLEZQACGSPA-UHFFFAOYSA-N,2,1,0.511,97,992,439.866,4.352,5,0.401,0.8,0.999,0.7941539305051059,0.8188438078267425,0.7742615310808032,0.7936913165650058,0.7952376464944143
EOS-2-13554,N#Cc1ncc(COc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)cc1Cl,ZQNULLSQXWGLDC-UHFFFAOYSA-N,2,1,0.489,1,700,439.866,4.352,5,0.401,0.7,1.0,0.7913439791652388,0.8035175793297238,0.705332054005894,0.7286340895072305,0.7572069255020217
EOS-2-13555,N#Cc1ncccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,RXLBQDFAFBCEPM-UHFFFAOYSA-N,2,1,0.646,1,850,439.866,4.352,5,0.401,0.73,1.0,0.8840552395312179,0.9597011856623946,0.8086320334452745,0.8088290727160579,0.8653043828387362
EOS-2-13556,N#Cc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1,XIDHGUYAHZXWPG-UHFFFAOYSA-N,2,1,0.56,43,372,439.866,4.352,5,0.401,0.76,1.0,0.8636573915427318,0.966965937906929,0.8025580837502571,0.8394386950860119,0.8681550270714824
EOS-2-13557,N#Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)c4)n23)cc1,YCBWASKQDISOEY-UHFFFAOYSA-N,2,1,0.542,43,613,439.866,4.352,5,0.401,0.77,1.0,0.967582756493729,0.9485984510999932,0.8490507847303133,0.8523747515591803,0.904401685970804
EOS-2-13558,N#Cc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,XTCUWXNADJNFLK-UHFFFAOYSA-N,2,1,0.612,97,232,439.866,4.352,5,0.401,0.82,1.0,0.9579706668494278,0.962194160784045,0.8441162360359126,0.837425467754095,0.9004266328558701
EOS-2-13559,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1,GMSYVIGDXGCWOJ-UHFFFAOYSA-N,2,1,0.333,3,668,439.866,4.952,6,0.386,0.77,1.0,0.058614899595641146,0.22457336714412995,0.7742700980056199,0.8195120279624426,0.4692425981769584
EOS-2-13560,N#Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,AVHXEYMCUHGAKX-UHFFFAOYSA-N,2,1,0.617,43,433,439.866,4.352,5,0.401,0.8,1.0,0.9618172160921116,0.9795164827633472,0.8237012541977932,0.8414347885682956,0.9016174354053869
EOS-2-13561,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cn2)ccc1Cl,VBZFQPHMTPIUCD-UHFFFAOYSA-N,2,1,0.61,1,850,439.866,4.352,5,0.401,0.78,1.0,0.7270063737920636,0.8717531354944829,0.8273764649441436,0.82538037146186,0.8128790864231376
EOS-2-13562,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nn2)c1,PYHPNFAVBNAMNR-UHFFFAOYSA-N,2,1,0.326,3,783,439.866,4.952,6,0.386,0.74,1.0,0.028065245699403742,0.15761428277705436,0.6840603796861079,0.7843790692892879,0.41352974436296347
EOS-2-13563,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nn2)cc1,CLIGGVSDAQTTGX-UHFFFAOYSA-N,2,1,0.35,3,783,439.866,4.952,6,0.386,0.75,1.0,0.032948392844904396,0.16926530052772257,0.6977074909190597,0.7912583099170721,0.4227948735521897
EOS-2-13564,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1Cl,BWHOJLYSYWQMPQ-UHFFFAOYSA-N,2,1,0.5,1,700,439.866,4.352,5,0.401,0.79,1.0,0.8678123500788157,0.8657477211979988,0.767536495099719,0.772565279967103,0.8184154615859092
EOS-2-13565,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)cc1,BPJDBOMKVGLZIO-UHFFFAOYSA-N,2,1,0.35,3,289,439.866,4.952,6,0.386,0.68,1.0,0.06402919607977521,0.2245819340689466,0.6301487218148174,0.7341854567884313,0.41323632718799264
EOS-2-13566,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccoc6)cc5)n34)n2)cc1,AIQMVRBEEOBIIA-UHFFFAOYSA-N,2,1,0.364,3,289,439.866,4.952,6,0.386,0.71,1.0,0.05015934480159002,0.20937564251936125,0.6598074155301213,0.7654375985196354,0.421195000342677
EOS-2-13567,N#Cc1ccncc1-c1ccc(-c2nnc3cncc(OCc4ccncc4Cl)n23)cc1,MRCPPVRKHMFXAH-UHFFFAOYSA-N,2,1,0.531,97,91,439.866,4.352,5,0.401,0.79,1.0,0.9605664450688781,0.9244825577410732,0.8935131245288191,0.8914313617983689,0.9174983722842849
EOS-2-13568,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)n1,XCNUXKRBODWMNQ-UHFFFAOYSA-N,2,1,0.31,3,289,439.866,4.952,6,0.386,0.64,1.0,0.06568261256939209,0.2192361729833459,0.5875968062504283,0.712913782468645,0.3963573435679528
EOS-2-13569,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cn1,RBVBTPRDOMUUEO-UHFFFAOYSA-N,2,1,0.489,97,560,439.866,4.352,5,0.401,0.83,1.0,0.7330460557878145,0.7608971283668015,0.8310945103145775,0.8414433554931122,0.7916202624905764
EOS-2-13570,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)s4)n23)c(Cl)c1,FBJNXZAKUNNQHY-UHFFFAOYSA-N,2,1,0.529,73,540,439.863,4.076,5,0.407,0.73,1.0,0.6416626687684189,0.8229302309642931,0.507556027688301,0.6024775546569804,0.6436566205194983
EOS-2-13571,Fc1cccc(-c2nnc3cncc(OCc4csc(-c5ncccn5)n4)n23)c1Cl,CLXCZFJTSIEPGQ-UHFFFAOYSA-N,2,1,0.512,4,71,439.863,4.076,5,0.407,0.66,1.0,0.5936022205469125,0.7525700774450004,0.3862655061339182,0.4838170790213145,0.5540637207867863
EOS-2-13572,Fc1cc(COc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)ccc1Cl,VDSWOHDVNWCZCG-UHFFFAOYSA-N,2,1,0.658,59,294,439.863,4.076,5,0.407,0.76,1.0,0.6814389006922075,0.7482095127133165,0.7130165855664451,0.7549088479199506,0.7243934617229799
EOS-2-13573,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnc(-c4cccnc4)s3)n12,CEODZHLTXPKYHT-UHFFFAOYSA-N,2,1,0.548,34,10,439.863,4.076,5,0.407,0.69,1.0,0.6536991981358372,0.8476972106092797,0.41874271811390584,0.5558991844287574,0.6190095778219451
EOS-2-13574,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4ccc(-c5cscn5)nn4)n23)c1,MOZVHZOEHYTGQD-UHFFFAOYSA-N,2,1,0.53,34,820,439.863,4.076,5,0.407,0.68,1.0,0.6134260845726818,0.7391714070317319,0.5553594681653073,0.6383558357891851,0.6365781988897266
EOS-2-13575,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nc4)n23)ccc1Cl,PRFSBFWPEJZNDO-UHFFFAOYSA-N,2,1,0.588,59,389,439.863,4.076,5,0.407,0.73,1.0,0.7146871359056953,0.8266996778836269,0.70032896991296,0.7422297991912823,0.7459863957233912
EOS-2-13576,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4csnn4)nc3)n12,LWFSBJJAPZDPDD-UHFFFAOYSA-N,2,1,0.541,34,389,439.863,4.076,5,0.407,0.69,1.0,0.5905352614625454,0.7825628812281543,0.659815982454938,0.7181481735316291,0.6877655746693168
EOS-2-13577,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5cncs5)n4)n23)ccc1Cl,LOKVQLBXHGESOT-UHFFFAOYSA-N,2,1,0.536,73,401,439.863,4.076,5,0.407,0.76,1.0,0.7742529641559865,0.9110924542526215,0.6331043108765677,0.684882804468508,0.7508331334384208
EOS-2-13578,Fc1ccc(-c2ncsc2-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1,GPFMUAOTDJSBEA-UHFFFAOYSA-N,2,1,0.506,4,799,439.863,4.076,5,0.407,0.69,1.0,0.5464498663559728,0.6332842162977178,0.4187512850387225,0.5492426838462066,0.5369320128846549
EOS-2-13579,Fc1nnccc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,WORQMBYUIAYNPG-UHFFFAOYSA-N,2,1,0.433,46,122,439.863,4.076,5,0.407,0.54,1.0,0.6329244054554177,0.604884860530464,0.6156706188746488,0.6555582208210541,0.6272595264203962
EOS-2-13580,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)nn1,PGOCXYZLLIPAJW-UHFFFAOYSA-N,2,1,0.471,2,875,439.863,4.076,5,0.407,0.69,1.0,0.6077890480433144,0.6820128846549243,0.612569392091015,0.6500325543143033,0.6381009697758893
EOS-2-13581,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)cn2)cn1,YOZJHYOZHJPDNE-UHFFFAOYSA-N,2,1,0.488,55,390,439.863,4.076,5,0.381,0.72,1.0,0.5964207388115962,0.7344424645329313,0.5582807895277911,0.5782931258995271,0.6168592796929614
EOS-2-13582,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)s5)n34)c2)cn1,KMERXGIMWYMRDS-UHFFFAOYSA-N,2,1,0.444,46,157,439.863,4.076,5,0.381,0.74,1.0,0.437615653485025,0.5381313823589884,0.5038808169419505,0.5689123432252758,0.5121350490028099
EOS-2-13583,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)ccn1,HHLKWNWZEDLLJJ-UHFFFAOYSA-N,2,1,0.429,46,395,439.863,4.076,5,0.381,0.63,0.981,0.5816170927283942,0.6048934274552806,0.609733739976698,0.647102666027003,0.6108367315468439
EOS-2-13584,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ncn2)c1,LXLUGFPWPDSZFI-UHFFFAOYSA-N,2,1,0.398,46,395,439.863,4.076,5,0.407,0.68,0.827,0.6994808443561099,0.6098194092248647,0.6512747584127202,0.690399904050442,0.6627437290110343
EOS-2-13585,Fc1cc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)ccc1-c1cncs1,CDJXTHFYEJYCJO-UHFFFAOYSA-N,2,1,0.584,2,434,439.863,4.076,5,0.381,0.72,1.0,0.7941624974299225,0.8229387978891097,0.7103437050236447,0.7181567404564457,0.7614004351997807
EOS-2-13586,Cc1nnc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)s1,NIBSLSFPYSGHFK-UHFFFAOYSA-N,2,1,0.448,13,995,439.863,4.598,5,0.404,0.74,1.0,0.5310037009115208,0.6237235282023165,0.5518470289904736,0.6209307107120828,0.5818762422040984
EOS-2-13587,Fc1cc(-c2nnc3cncc(OCc4csc(-c5ccnnc5)n4)n23)ccc1Cl,FJOCGXPHSWSZPA-UHFFFAOYSA-N,2,1,0.536,4,391,439.863,4.076,5,0.407,0.7,1.0,0.6631142485093551,0.8657562881228155,0.6125779590158317,0.6642279487355219,0.7014191110958811
EOS-2-13588,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nccs1,BNWPTXFJDVDJNS-UHFFFAOYSA-N,2,1,0.536,4,799,439.863,4.076,5,0.407,0.7,1.0,0.7177712288396957,0.7992683846206565,0.5417466246316223,0.5938078267425125,0.6631485162086218
EOS-2-13589,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nsc(-c4ccncc4)n3)n12,RDXMWJOGQREFDO-UHFFFAOYSA-N,2,1,0.53,73,446,439.863,4.076,5,0.407,0.73,1.0,0.5620673702967582,0.7740302241107532,0.4297426495785073,0.5559077513535742,0.5804369988348982
EOS-2-13590,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4ccns4)n23)nc(Cl)n1,CJRPFXRLFFDKQA-UHFFFAOYSA-N,2,1,0.427,44,488,439.863,4.076,5,0.381,0.62,1.0,0.5847525872112946,0.5808974710437941,0.45548625865259407,0.5559163182783908,0.5442631587965183
EOS-2-13591,Fc1cncc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)c1,AHRMPCDTTRQFPZ-UHFFFAOYSA-N,2,1,0.549,34,32,439.863,4.076,5,0.407,0.75,1.0,0.7686587622507025,0.8978565554108697,0.4262730450277568,0.5816085258035776,0.6685992221232266
EOS-2-13592,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)s5)n34)cc2)nc1,RQRYZLPDPARWGX-UHFFFAOYSA-N,2,1,0.579,16,19,439.863,4.076,5,0.407,0.65,1.0,0.889623740662052,0.7609056952916181,0.4934034678911658,0.5193441162360359,0.665819255020218
EOS-2-13593,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5cnsc5)c4)n23)cc(Cl)n1,JHXARLPQWGQEPX-UHFFFAOYSA-N,2,1,0.512,75,183,439.863,4.076,5,0.381,0.59,1.0,0.6754506202453567,0.6332927832225345,0.692464532931259,0.6988383249948599,0.6750115653485025
EOS-2-13594,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cs2)cn1,GMCWZCQBRHTDHM-UHFFFAOYSA-N,2,1,0.542,4,32,439.863,4.076,5,0.407,0.72,1.0,0.7714601466657529,0.90006682201357,0.44814440408470974,0.543091631827839,0.6656907511479679
EOS-2-13595,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)nc1,BXTNORJHZJJBOR-UHFFFAOYSA-N,2,1,0.542,73,420,439.863,4.076,5,0.407,0.64,1.0,0.714695702830512,0.7344510314577479,0.4968045370433829,0.5431001987526557,0.6222628675210746
EOS-2-13596,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nncc(-c4ccsc4)n3)n12,OIGRLBFAYCROKS-UHFFFAOYSA-N,2,1,0.512,73,446,439.863,4.076,5,0.407,0.74,1.0,0.6784918785552738,0.885134672058118,0.5182561167843192,0.6355373175245014,0.6793549962305532
EOS-2-13597,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ncncn1,BYSAIMQBOCGXOM-UHFFFAOYSA-N,2,1,0.542,4,610,439.863,4.076,5,0.407,0.69,1.0,0.8931704475361524,0.8978651223356864,0.6539305051058872,0.6788945240216572,0.7809651497498459
EOS-2-13598,Fc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cscn1,NXSLYNRJEAHAGL-UHFFFAOYSA-N,2,1,0.494,46,267,439.863,4.076,5,0.381,0.61,0.999,0.5650315262833253,0.6380731272702351,0.5417551915564389,0.5876225070248784,0.5831205880337194
EOS-2-13599,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3cc(-c4cncs4)ncn3)n12,DICAYDRGFQBSCG-UHFFFAOYSA-N,2,1,0.438,44,488,439.863,4.076,5,0.407,0.65,0.82,0.6273901720238503,0.6425536289493523,0.6732746213419231,0.7208724556233295,0.6660227194846138
EOS-2-13600,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5cnns5)c4)n23)cc1Cl,LUKMQAOJOARVEU-UHFFFAOYSA-N,2,1,0.662,2,884,439.863,4.076,5,0.407,0.69,1.0,0.5707456651360427,0.657622849701871,0.7791018436022206,0.8111078747172915,0.7046445582893563
EOS-2-13601,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ncc(-c4cscn4)cn3)n12,COZVRGSKJFPWMI-UHFFFAOYSA-N,2,1,0.464,73,877,439.863,4.076,5,0.407,0.69,1.0,0.6843773559043246,0.782571448152971,0.5247412788705367,0.602486121581797,0.6485440511274073
EOS-2-13602,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4cnsc4)ncn3)n12,MBKKWQWIDVQHEI-UHFFFAOYSA-N,2,1,0.438,44,488,439.863,4.076,5,0.407,0.61,0.861,0.565040093208142,0.57563737920636,0.7053406209307107,0.7549174148447674,0.650233877047495
EOS-2-13603,Fc1cccc(Cl)c1COc1cncc2nnc(-c3csc(-c4cnccn4)n3)n12,HQGAASBZZGAPIU-UHFFFAOYSA-N,2,1,0.424,46,332,439.863,4.076,5,0.407,0.8,1.0,0.5593259543554245,0.5198752655746693,0.5003940785415667,0.6024946885066137,0.5455224967445685
EOS-2-13604,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cncs5)cn4)n23)ccc1Cl,ZGYYXRDKAARFPF-UHFFFAOYSA-N,2,1,0.542,73,401,439.863,4.076,5,0.407,0.72,1.0,0.7941710643547393,0.9130799808100885,0.6456462888081694,0.6848913713933247,0.7594471763415804
EOS-2-13605,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1nncs1,PSQTZUSVAAVJJY-UHFFFAOYSA-N,2,1,0.556,34,32,439.863,4.076,5,0.407,0.73,1.0,0.8155284079226921,0.9357908984990748,0.47600404358851345,0.5938163936673292,0.7052849359194024
EOS-2-13606,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)cn1,YRHICZUSXHXHNA-UHFFFAOYSA-N,2,1,0.524,75,486,439.863,4.076,5,0.407,0.68,1.0,0.6692395997532725,0.7344595983825646,0.57514906449181,0.6057586868617642,0.6461517373723529
EOS-2-13607,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5cscn5)n4)n23)ccc1Cl,KSPFDSHAFJTADE-UHFFFAOYSA-N,2,1,0.523,24,401,439.863,4.076,5,0.407,0.68,1.0,0.7086217531354945,0.8851432389829347,0.6186262079363991,0.6699592214378727,0.7205876053731752
EOS-2-13608,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cnn2)c1,JFYOWUDDTDJPBZ-UHFFFAOYSA-N,2,1,0.483,55,875,439.863,4.076,5,0.407,0.49,0.999,0.6104876293605648,0.7019224179288602,0.639520937564252,0.6988468919196765,0.6626944691933384
EOS-2-13609,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cncs1,UTNBRRMVCOICQO-UHFFFAOYSA-N,2,1,0.57,73,335,439.863,4.076,5,0.407,0.72,1.0,0.895012336371736,0.942772942224659,0.4446747995339593,0.5524724145020903,0.7087331231581111
EOS-2-13610,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)nc1Cl,WVLGYLFQIRYEOS-UHFFFAOYSA-N,2,1,0.42,51,379,439.863,4.076,5,0.381,0.72,1.0,0.7115345075731615,0.7569734768007675,0.4832944966074978,0.5392536495099719,0.6227640326228497
EOS-2-13611,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)s2)c1,FLUUGMQZHOUZQX-UHFFFAOYSA-N,2,1,0.465,46,119,439.863,4.076,5,0.407,0.68,1.0,0.5104088136522514,0.642562195874169,0.47982489205674733,0.5751404975669934,0.5519840997875403
EOS-2-13612,Fc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cscn1,OENJTPSKNCQOSQ-UHFFFAOYSA-N,2,1,0.461,46,122,439.863,4.076,5,0.381,0.64,1.0,0.5593345212802412,0.6098279761496813,0.5075645946131176,0.5559248852032075,0.558162994311562
EOS-2-13613,Fc1ccc(-c2nnc3cncc(OCc4csc(Cl)n4)n23)cc1-c1ccncn1,LLWKHZJSJFCTQQ-UHFFFAOYSA-N,2,1,0.517,4,31,439.863,4.076,5,0.407,0.69,1.0,0.7885511616750052,0.8267082448084435,0.6156791857994655,0.6441899115893359,0.7187821259680626
EOS-2-13614,Fc1cc(-c2nnc3cncc(OCc4cnnc(-c5nccs5)c4)n23)ccc1Cl,DGKMVGSIAGQAKC-UHFFFAOYSA-N,2,1,0.554,59,389,439.863,4.076,5,0.407,0.7,1.0,0.8723356863820163,0.9262559111781234,0.6156877527242821,0.6670807346994723,0.7703400212459734
EOS-2-13615,N=c1[nH]c(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)cs1,NUUPWULCZZLUHF-UHFFFAOYSA-N,2,1,0.449,13,145,439.863,4.307,5,0.434,0.69,0.988,0.5679614145706258,0.7019309848536769,0.7388886985127818,0.7473356863820163,0.6890291960797751
EOS-2-13616,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)o1,UIEGEQOWETULTI-UHFFFAOYSA-N,2,1,0.371,69,958,439.862,6.027,6,0.333,0.73,1.0,0.344955794667946,0.42163833870193956,0.8935216914536358,0.9030995133986705,0.6408038345555479
EOS-2-13617,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)n(C)n1,JQXKGOHNWWKTJZ-UHFFFAOYSA-N,2,1,0.467,36,292,439.842,3.388,5,0.413,0.66,1.0,0.5464584332807896,0.7019395517784935,0.2390086354602152,0.3163508327050922,0.45093936330614764
EOS-2-13618,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n(C)n1,ARPITSZSBCIRKW-UHFFFAOYSA-N,2,1,0.462,36,292,439.842,3.388,5,0.413,0.58,1.0,0.4539956137344939,0.6919333835926256,0.2071568089918443,0.2943167020766226,0.4118506270988966
EOS-2-13619,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4nn(F)cc4Cl)n23)cc1,VOWWPPQPVCKUFM-UHFFFAOYSA-N,2,1,0.524,36,734,439.842,2.791,5,0.401,0.69,1.0,0.6358200260434514,0.6771468713590569,0.22807723939414706,0.2974350627098897,0.45961979987663626
EOS-2-13620,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4nn(F)cc4Cl)n23)cc1,RYQCLXPZJFQHMG-UHFFFAOYSA-N,2,1,0.518,36,320,439.842,2.791,5,0.401,0.71,1.0,0.6189603180042492,0.6237320951271331,0.22103522719484614,0.2795387567678706,0.4358165992735248
EOS-2-13621,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5nn(F)cc5Cl)n34)cc2)n1,YZWWMNFWAMLPIC-UHFFFAOYSA-N,2,1,0.518,36,320,439.842,2.791,5,0.401,0.72,1.0,0.605013364402714,0.6673377424439723,0.2210437941196628,0.2678963059420191,0.44032280172709204
EOS-2-13622,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5nn(F)cc5Cl)n34)cn2)cn1,UXDIEFYRWNENFB-UHFFFAOYSA-N,2,1,0.479,92,468,439.842,2.791,5,0.401,0.69,1.0,0.4854961962853814,0.5909721746281955,0.2898790350215886,0.32544033993557675,0.4229469364676856
EOS-2-13623,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n(C)n1,QOGKJQOQUJDYCC-UHFFFAOYSA-N,2,1,0.467,36,292,439.842,3.388,5,0.413,0.65,1.0,0.5620759372215749,0.7391799739565486,0.23901720238503188,0.31635939962990883,0.464158128298266
EOS-2-13624,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5nn(F)cc5Cl)n34)cn2)c1,IJSOPVWBWVPCIE-UHFFFAOYSA-N,2,1,0.479,65,823,439.842,2.791,5,0.401,0.72,1.0,0.5679699814954424,0.6333013501473511,0.2460335138098828,0.28825988623123844,0.43389118292097867
EOS-2-13625,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n(C)n2)cn1,JJKBPNSKPDDKTB-UHFFFAOYSA-N,2,1,0.518,36,404,439.842,2.692,5,0.415,0.74,1.0,0.4308049482557741,0.662471729148105,0.17990542115002398,0.26475224453430196,0.3844835857720513
EOS-2-13626,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(F)cc4Cl)n23)n(C)n1,GJMBRQPCTAZCPL-UHFFFAOYSA-N,2,1,0.462,36,292,439.842,3.388,5,0.413,0.58,1.0,0.43284387636214106,0.6425707627989857,0.20356726749366047,0.29432526900143924,0.3933267939140566
EOS-2-13627,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n(C)n1,ZKSNJBQXZWDCDX-UHFFFAOYSA-N,2,1,0.529,36,404,439.842,2.692,5,0.415,0.64,1.0,0.49035364265643205,0.7160492769515455,0.23532485778904805,0.32235624700157633,0.4410210060996505
EOS-2-13628,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nn1C,YOYAHRANOURIGL-UHFFFAOYSA-N,2,1,0.529,36,404,439.842,2.692,5,0.415,0.66,1.0,0.4422760605852923,0.6624802960729217,0.23178671783976423,0.322364813926393,0.41472697210609283
EOS-2-13629,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nn(F)cc5Cl)n34)cn2)n1,FZNMVQMUJUUCGS-UHFFFAOYSA-N,2,1,0.479,92,779,439.842,2.791,5,0.401,0.65,1.0,0.5310122678363375,0.609836543074498,0.22808580631896375,0.2705777534096361,0.4098780926598588
EOS-2-13630,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5nn(F)cc5Cl)n34)nc2)cn1,YPGSNOSBNWVJEK-UHFFFAOYSA-N,2,1,0.404,92,779,439.842,2.791,5,0.401,0.67,1.0,0.4468507984373929,0.4745390994448633,0.29338290727160576,0.3285844013432938,0.3858393016242889
EOS-2-13631,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4c(F)cccc4Cl)n23)n(C)n1,FGRXZMRKEUULNM-UHFFFAOYSA-N,2,1,0.366,36,292,439.842,3.388,5,0.413,0.54,0.998,0.4584332807895278,0.5756459461311767,0.17015626070865603,0.2647608114591186,0.36724907477211977
EOS-2-13632,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cc1-c1cnco1,XVXXZWRVBCHPJZ-UHFFFAOYSA-N,2,1,0.565,95,998,439.838,3.594,5,0.399,0.65,1.0,0.4308135151805908,0.31677917894592555,0.5417637584812556,0.5907151668836954,0.4700179048728668
EOS-2-13633,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccoc5F)n34)cn2)cc1Cl,UKVYMEORMFAHDH-UHFFFAOYSA-N,2,1,0.522,58,981,439.838,3.594,5,0.399,0.61,1.0,0.6189688849290659,0.6624888629977383,0.5075731615379343,0.502655746693167,0.5729216640394764
EOS-2-13634,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)cc1-c1cncc(F)c1,LOPYGBMVQZDJIL-UHFFFAOYSA-N,2,1,0.423,95,235,439.838,3.594,5,0.399,0.69,0.999,0.5260263175930368,0.41254026454663834,0.479833458981564,0.5294530875197039,0.48696328216023577
EOS-2-13635,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1-c1cnco1,MSJIPQLRPCLWHA-UHFFFAOYSA-N,2,1,0.529,95,998,439.838,3.594,5,0.399,0.65,0.997,0.4237629360564732,0.3357634843396614,0.5383883901034885,0.5938249605921458,0.47293494277294224
EOS-2-13636,Cn1nc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1-c1cnco1,BYEKKZWIVNJTBR-UHFFFAOYSA-N,2,1,0.548,95,998,439.838,3.594,5,0.399,0.7,0.992,0.43082208210540746,0.3116304571311082,0.5038893838667672,0.5655712425467754,0.45297829141251456
EOS-2-13637,COc1cc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)on4)n23)ccc1Cl,NYTLWBJJFBXGPP-UHFFFAOYSA-N,2,1,0.528,36,728,439.823,2.211,5,0.388,0.7,1.0,0.410175793297238,0.5334795421835378,0.10517613597423069,0.11913165650058255,0.2919907819888973
EOS-2-13638,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(C(F)F)n5)n34)c(Cl)c2)nn1,CNFVFYRYFXOKQD-UHFFFAOYSA-N,2,1,0.346,22,542,439.817,3.864,5,0.419,0.67,0.937,0.20229079569597697,0.39829346857651976,0.5719364676855596,0.6025032554314304,0.44375599684737166
EOS-2-13639,Cn1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)n1,SWFDSKFJRVIKDI-UHFFFAOYSA-N,2,1,0.341,22,649,439.817,3.635,5,0.421,0.74,1.0,0.2974179288602563,0.4216469056267562,0.667757521759989,0.7341940237132479,0.5302540949900624
EOS-2-13640,Cc1cnc(-c2cc(-c3cncc4nnc(-c5cc(F)c(Cl)cc5F)n34)n(C)n2)nn1,FZYODVQPWWTFAA-UHFFFAOYSA-N,2,1,0.329,22,844,439.817,3.284,5,0.398,0.63,0.963,0.19135083270509218,0.4031851826468371,0.45192241792886023,0.565579809471592,0.40300956068809535
EOS-2-13641,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)n[nH]2)cc1,RVTLZPKMPZQZQN-UHFFFAOYSA-N,2,1,0.446,34,469,439.813,4.087,5,0.443,0.7,1.0,0.6300973202659174,0.5475464327325064,0.8641714070317319,0.8970084298540196,0.7347058974710439
EOS-2-13642,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccn(F)n5)cn4)n23)ccc1Cl,FKCPIDYKHXYBQT-UHFFFAOYSA-N,2,1,0.566,4,391,439.813,4.154,5,0.409,0.67,1.0,0.7210609279692961,0.9130885477349051,0.8766105818655335,0.8803971626345007,0.8477893050510589
EOS-2-13643,Cn1cnnc1-c1ccc(Cl)c(Oc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1,ZUVGXAMVVXKQGZ-UHFFFAOYSA-N,2,1,0.494,13,252,439.813,4.311,5,0.415,0.76,1.0,0.7147042697553286,0.9092162977177712,0.8699369474333494,0.8914399287231856,0.8463243609074087
EOS-2-13644,Fc1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)c1,NLZVTAYYBAGXTE-UHFFFAOYSA-N,2,1,0.573,73,391,439.813,3.883,5,0.413,0.63,1.0,0.5053714618600507,0.7992769515454733,0.8553389075457474,0.8688146802823659,0.7572005003084092
EOS-2-13645,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)[nH]n2)c1,ADHVXDMYSKPJHS-UHFFFAOYSA-N,2,1,0.566,59,963,439.813,4.087,5,0.443,0.76,1.0,0.7597320265917347,0.5909807415530122,0.9017288054280036,0.9188969227606059,0.792834624083339
EOS-2-13646,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1F,VRSPGAKHOWOWQC-UHFFFAOYSA-N,2,1,0.588,34,612,439.813,3.883,5,0.413,0.66,1.0,0.672323692687273,0.8539596326502639,0.7985487629360565,0.8590997875402645,0.7959829689534644
EOS-2-13647,Fc1cc(-c2nnc3cncc(OCc4cc(F)c(-c5cc[nH]n5)cn4)n23)ccc1Cl,FGSIZKRDJQZREC-UHFFFAOYSA-N,2,1,0.511,34,391,439.813,4.087,5,0.443,0.71,1.0,0.8589284490439312,0.9207302446713728,0.8923394558289356,0.9043931190459873,0.8940978171475567
EOS-2-13648,FC(F)n1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,KWYHFJNZMPNZBX-UHFFFAOYSA-N,2,1,0.556,13,374,439.813,4.891,5,0.387,0.85,1.0,0.5707542320608594,0.8508498389418134,0.9081025974916044,0.8928277705434857,0.8056336097594408
EOS-2-13649,Cn1nc(-c2ccc(F)cn2)cc1Oc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,AEQCPNSVKLFKSG-UHFFFAOYSA-N,2,1,0.482,13,706,439.813,4.311,5,0.415,0.72,1.0,0.6416712356932356,0.8539681995750805,0.8128041258309917,0.8354379411966281,0.785970375573984
EOS-2-13650,Cn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3ccc(F)c(F)c3)n12,IGPYXFXOCQPNSC-UHFFFAOYSA-N,2,1,0.477,13,706,439.813,4.311,5,0.388,0.81,1.0,0.6506236721266534,0.8372798300322116,0.855347474470564,0.8591083544650813,0.8005898327736276
EOS-2-13651,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1ccnc(F)c1,YJAYMKXMKPHRGJ-UHFFFAOYSA-N,2,1,0.418,13,956,439.813,4.311,5,0.388,0.72,1.0,0.3631519429785484,0.4923326022890823,0.8237098211226098,0.8539253649509972,0.6332799328353095
EOS-2-13652,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1F,OYGZUXCJEUJBDN-UHFFFAOYSA-N,2,1,0.524,13,145,439.813,4.311,5,0.415,0.71,1.0,0.6244774175861832,0.7437375779590158,0.8393958604619286,0.8655506819272154,0.7682903844835858
EOS-2-13653,Fc1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(F)c(Cl)c5)nn4)n23)cc1,ZYMFZASPLXLMFB-UHFFFAOYSA-N,2,1,0.659,34,612,439.813,3.883,5,0.413,0.72,1.0,0.4782057432663971,0.7740387910355698,0.8343927763689946,0.8846120896443013,0.7428123500788157
EOS-2-13654,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)cc1-c1cnc(F)c(F)c1,OONZBXSKSPNPPC-UHFFFAOYSA-N,2,1,0.494,13,956,439.813,4.311,5,0.388,0.77,0.818,0.4145192241792886,0.47028133781097936,0.8128126927558084,0.8505414296484134,0.6370386710986224
EOS-2-13655,Cn1nc(-c2ccc(F)cn2)cc1Oc1cncc2nnc(-c3c(F)cccc3Cl)n12,QZDYEMOTXGVOFW-UHFFFAOYSA-N,2,1,0.395,34,671,439.813,4.311,5,0.415,0.63,1.0,0.5491998492221233,0.653005277225687,0.7441316565005826,0.7959872524158728,0.6855810088410664
EOS-2-13656,Fc1cc(-c2cc[nH]n2)ccc1-c1nnc2cncc(OCc3cnc(F)c(Cl)c3)n12,LDSYNOCHSYOYEV-UHFFFAOYSA-N,2,1,0.462,59,89,439.813,4.087,5,0.414,0.66,1.0,0.8613871564663148,0.8689089164553492,0.8982934685765198,0.89960420807347,0.8820484373929135
EOS-2-13657,Cn1cc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5F)n34)c2)cn1,ICROAXJKDMPZMZ-UHFFFAOYSA-N,2,1,0.465,13,995,439.813,4.311,5,0.388,0.72,1.0,0.46796826811047904,0.547554999657323,0.9223151257624563,0.9066290864231376,0.711116869988349
EOS-2-13658,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cn(-c4ccccc4F)nn3)n12,XXPUFYOTVSDFRH-UHFFFAOYSA-N,2,1,0.589,34,612,439.813,3.883,5,0.413,0.67,1.0,0.3884929065862518,0.7067627304502776,0.7675450620245357,0.85054999657323,0.6783376739085738
EOS-2-13659,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4c(F)cccc4Cl)n23)c(F)c1,GPXANQMPJDRUCO-UHFFFAOYSA-N,2,1,0.506,34,252,439.813,4.311,5,0.415,0.75,1.0,0.5816256596532109,0.8111849770406415,0.814783085463642,0.8555359468165308,0.7657824172435063
EOS-2-13660,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,RNQCOFKSJWZOAM-UHFFFAOYSA-N,2,1,0.545,34,252,439.813,4.311,5,0.415,0.76,1.0,0.7969810156946062,0.9280892330888905,0.8327564937290111,0.8606418340072648,0.8546171441299432
EOS-2-13661,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)n4)n23)ccc1-c1cc[nH]n1,IBOOKXZYAUZVCO-UHFFFAOYSA-N,2,1,0.506,34,554,439.813,4.087,5,0.414,0.59,1.0,0.8262456308683435,0.8372883969570283,0.8726440956754163,0.8817678706051676,0.8544864985264888
EOS-2-13662,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)c(Cl)c5)n4)n23)cc1,QYLYVRVJEAXVSQ-UHFFFAOYSA-N,2,1,0.588,34,612,439.813,3.883,5,0.413,0.74,1.0,0.6476766499897197,0.786777808237955,0.7961243232129395,0.8591169213898979,0.772423925707628
EOS-2-13663,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)n[nH]2)cn1,KFNDWIQPFYBKHN-UHFFFAOYSA-N,2,1,0.429,59,332,439.813,4.087,5,0.414,0.72,0.997,0.6446011239805359,0.5862003975053115,0.8818706737029676,0.9056096223699541,0.7545704543896923
EOS-2-13664,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1F,BZNJDHUIARPSOL-UHFFFAOYSA-N,2,1,0.512,13,252,439.813,4.311,5,0.415,0.7,1.0,0.6476852169145364,0.8111935439654582,0.8441248029607292,0.8748029607292166,0.7944516311424851
EOS-2-13665,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)cc5)n4)n23)cc1F,GYYWGWFGPPADJS-UHFFFAOYSA-N,2,1,0.549,34,612,439.813,3.883,5,0.413,0.71,1.0,0.5734442464532932,0.7655232677678021,0.7938198204372559,0.8555445137413474,0.7470829620999246
EOS-2-13666,Fc1ccc(-c2nnc3cncc(OCc4cn(-c5cccc(Cl)c5)nn4)n23)cc1F,STUHOXAJZIHYBY-UHFFFAOYSA-N,2,1,0.655,34,612,439.813,3.883,5,0.413,0.71,1.0,0.40560962236995407,0.7160578438763622,0.8198718388047427,0.8775872112946337,0.7047816290864231
EOS-2-13667,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cc1,MDAOOFDOGMQPBB-UHFFFAOYSA-N,2,1,0.512,34,612,439.813,3.883,5,0.413,0.75,1.0,0.4468593653622096,0.6919419505174422,0.757941539305051,0.8374340346789116,0.6835442224659036
EOS-2-13668,Cn1ccnc1-c1cnc(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(F)c1,MTZWETLPVOLKQJ-UHFFFAOYSA-N,2,1,0.482,13,412,439.813,4.311,5,0.415,0.74,1.0,0.6904084709752587,0.8372969638818449,0.7813292440545542,0.7982060859433897,0.7768101912137619
EOS-2-13669,Fc1ccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)nc1-n1cccn1,IROSAYDYUSJXKW-UHFFFAOYSA-N,2,1,0.518,34,877,439.813,3.883,5,0.413,0.59,1.0,0.38162223288328423,0.4974127887053663,0.6924730998560756,0.7627818518264684,0.5835724933177986
EOS-2-13670,Cn1nncc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1F,XNAVQPVDSOTXLW-UHFFFAOYSA-N,2,1,0.5,13,145,439.813,4.311,5,0.415,0.67,1.0,0.5565417037900076,0.6869988348982249,0.8791035569871839,0.8996127749982866,0.7555642176684257
EOS-2-13671,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(F)c2)nn1,HSVHEGYSHSEHRD-UHFFFAOYSA-N,2,1,0.455,13,145,439.813,4.311,5,0.415,0.74,1.0,0.4855047632101981,0.7782708518950038,0.8713076554040162,0.8900520869028853,0.7562838393530258
EOS-2-13672,Cn1cnc(-c2cncc(-c3nnc4cncc(Oc5cc(F)c(F)cc5Cl)n34)c2)c1,LKMDUISIYGUBEH-UHFFFAOYSA-N,2,1,0.416,13,995,439.813,4.311,5,0.388,0.61,1.0,0.6162531697621821,0.6576314166266877,0.9017373723528203,0.8941642108148858,0.767446542389144
EOS-2-13673,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)cc5Cl)n4)n23)cc1,YEYXSHTYQGVOJT-UHFFFAOYSA-N,2,1,0.549,34,612,439.813,3.883,5,0.413,0.7,1.0,0.6244859845109999,0.752578644369817,0.7536323761222672,0.8433794805016791,0.7435191213761908
EOS-2-13674,Fc1ccc(F)c(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)cc5)n4)n23)c1,QLNSZVGKFAKXSC-UHFFFAOYSA-N,2,1,0.477,34,612,439.813,3.883,5,0.413,0.68,1.0,0.4215269686793229,0.6193886642450825,0.7579501062298677,0.8394472620108286,0.6595782502912755
EOS-2-13675,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3ccnc(-c4cc[nH]n4)c3)n12,RGESOGQNTYIUAI-UHFFFAOYSA-N,2,1,0.483,59,577,439.813,4.087,5,0.414,0.59,1.0,0.8678209170036324,0.8112021108902748,0.889932149955452,0.8941727777397026,0.8657819888972654
EOS-2-13676,COc1cc(Cl)ccc1-c1nnc2cncc(-c3cn(-c4cccc(F)c4F)nn3)n12,AXJBWKYRCVCKRU-UHFFFAOYSA-N,2,1,0.356,45,730,439.813,3.979,5,0.421,0.77,0.995,0.13052566650675074,0.4658351038311288,0.8377424439723117,0.8704766636967994,0.5761449695017477
EOS-2-13677,Cn1nc(-c2nnc3cncc(Oc4cnc(Cl)c(F)c4)n23)cc1-c1ccc(F)cc1,BWODPNAVSDCTMX-UHFFFAOYSA-N,2,1,0.411,13,965,439.813,4.311,5,0.388,0.7,0.969,0.41681516003015556,0.5244842711260366,0.812821259680625,0.8487509423617299,0.6507179082996368
EOS-2-13678,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5F)n34)nc2F)n1,ZFGOVOGNGZFRBP-UHFFFAOYSA-N,2,1,0.379,13,251,439.813,4.311,5,0.388,0.65,1.0,0.46311938866424507,0.6098451099993146,0.8181156192173258,0.827290795695977,0.6795927283942156
EOS-2-13679,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4F)n23)nc1,JHCBLQGXMHFHKW-UHFFFAOYSA-N,2,1,0.385,13,412,439.813,4.311,5,0.388,0.71,1.0,0.6723322596120896,0.8188523747515591,0.842531354944829,0.8253889383866767,0.7897762319237885
EOS-2-13680,FC(F)Oc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,YSBMIDQIQUOZQR-UHFFFAOYSA-N,2,1,0.383,96,697,439.813,4.498,5,0.433,0.78,1.0,0.5386796655472551,0.6870074018230417,0.9232831882667397,0.9261445411555068,0.7687786991981358
EOS-2-13681,Cn1nc(-c2cnc(F)c(F)c2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,PUMPMCKFSAFIKN-UHFFFAOYSA-N,2,1,0.487,34,706,439.813,4.311,5,0.388,0.76,1.0,0.6874271811390583,0.8601792200671647,0.8344013432938112,0.845264203961346,0.8068179871153451
EOS-2-13682,Fc1cccc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1F,KUYWYHAVOAERBJ-UHFFFAOYSA-N,2,1,0.554,34,612,439.813,3.883,5,0.413,0.71,1.0,0.7389058323624151,0.8441076691110959,0.762636214104585,0.8414519224179289,0.7967754094990063
EOS-2-13683,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)[nH]n2)cc1F,TWEXXEOZJXQPMY-UHFFFAOYSA-N,2,1,0.5,34,963,439.813,4.087,5,0.443,0.72,1.0,0.5104173805770681,0.5475635665821397,0.8753598108423001,0.9031080803234871,0.7091122095812487
EOS-2-13684,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)c(F)c1,LRRRCAUGZUOMKP-UHFFFAOYSA-N,2,1,0.64,57,798,439.809,4.957,5,0.385,0.74,1.0,0.980347474470564,0.9676684257418957,0.9274467137276403,0.9463539167980262,0.9554541326845316
EOS-2-13685,Fc1cccc(F)c1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)on1,SGDHYCBZUOFOJE-UHFFFAOYSA-N,2,1,0.64,57,671,439.809,4.957,5,0.385,0.76,1.0,0.9833544650812145,0.9676769926667124,0.9165924199849222,0.9389606606812418,0.9516461346035228
EOS-2-13686,Fc1cc(F)cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)c1,BXQWCTXRLICMFP-UHFFFAOYSA-N,2,1,0.632,57,798,439.809,4.957,5,0.385,0.81,1.0,0.9758926735658968,0.957627989856761,0.9258618326365567,0.9447005003084092,0.951020749091906
EOS-2-13687,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5ccco5)n4)n23)cc(F)c1Cl,MYJZUKQJWSZTRZ-UHFFFAOYSA-N,2,1,0.628,24,268,439.809,4.957,5,0.36,0.68,1.0,0.8477743129326297,0.8905061339181687,0.9184343088205058,0.9176975532862723,0.8936030772393941
EOS-2-13688,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)c1F,QOXMJRNLDUFXQZ-UHFFFAOYSA-N,2,1,0.636,57,798,439.809,4.957,5,0.385,0.79,1.0,0.9848793776985814,0.967685559591529,0.9301195942704407,0.9455143581659927,0.9570497224316359
EOS-2-13689,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)on4)n23)cc1F,AHUMISJZMRXEPA-UHFFFAOYSA-N,2,1,0.667,57,13,439.809,4.957,5,0.385,0.76,1.0,0.8931790144609691,0.7067712973750943,0.940168597080392,0.955023644712494,0.8737856384072373
EOS-2-13690,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)c5)o4)n23)cc1F,SRBFWDPIEMTPJI-UHFFFAOYSA-N,2,1,0.588,57,13,439.809,4.957,5,0.385,0.72,1.0,0.9548351723665273,0.9558546364197108,0.9193167020766225,0.9364334178603249,0.9416099821807964
EOS-2-13691,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1Cl,BAHJSYNHNYCULL-UHFFFAOYSA-N,2,1,0.605,59,962,439.809,4.957,5,0.36,0.74,1.0,0.9727828798574464,0.9464224521965595,0.9646528682064286,0.9611489959564115,0.9612517990542115
EOS-2-13692,Fc1ccc(-c2nnc3cncc(OCc4conc4-c4ccccc4Cl)n23)cc1F,GKCBWZYXLWQLKE-UHFFFAOYSA-N,2,1,0.575,57,13,439.809,4.957,5,0.385,0.81,1.0,0.8913028579261189,0.897873689260503,0.92497943938044,0.944709067233226,0.914716263450072
EOS-2-13693,Fc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1ncco1,GCHLYUDBPZYNDY-UHFFFAOYSA-N,2,1,0.531,57,332,439.809,4.957,5,0.385,0.73,1.0,0.9681053389075458,0.9244911246658899,0.9380439997258584,0.9438695086011926,0.9436274929751217
EOS-2-13694,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2F)n1,BHAHJSSOAUQXEI-UHFFFAOYSA-N,2,1,0.37,51,924,439.802,1.538,5,0.371,0.53,1.0,0.41452779110410526,0.46584367075594546,0.04206360084983894,0.07098553903090947,0.24835515043519976
EOS-2-13695,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)nc1F,JPGAAEUSDCVBDD-UHFFFAOYSA-N,2,1,0.423,31,94,439.802,1.538,5,0.371,0.59,0.998,0.37942910013021725,0.48319169350969776,0.056019121376190806,0.10113254746076349,0.25494311561921734
EOS-2-13696,Cn1nnc(-c2cc(F)c(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)n1,NLESZLVKWPRZCK-UHFFFAOYSA-N,2,1,0.433,51,924,439.802,1.538,5,0.396,0.6,1.0,0.47044410938249603,0.48787780138441506,0.054202933315057225,0.09304537043382907,0.2763925536289493
EOS-2-13697,Fc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1nnco1,BZVOCIMTSURSKG-UHFFFAOYSA-N,2,1,0.384,20,237,439.798,2.44,5,0.363,0.53,0.963,0.6329329723802344,0.5705057912411761,0.15142039613460354,0.2119714207388116,0.39170764512370637
EOS-2-13698,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)nc2F)o1,QPVNDAXOXYERSD-UHFFFAOYSA-N,2,1,0.357,53,237,439.798,2.706,5,0.297,0.56,1.0,0.5360496196285381,0.519883832499486,0.11308340758001507,0.1462631073949695,0.32881999177575216
EOS-2-13699,Fc1nc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)ccc1-c1ncno1,QJBWHIYSNYHWKQ-UHFFFAOYSA-N,2,1,0.385,31,814,439.798,2.44,5,0.287,0.59,0.972,0.4903622095812487,0.538139949283805,0.1219673086148996,0.1778322253443904,0.33207542320608596
EOS-2-13700,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nc2F)n1,YYXPDHVKNIFFDL-UHFFFAOYSA-N,2,1,0.389,53,237,439.798,2.706,5,0.376,0.6,0.997,0.5335737783565211,0.5018504557604002,0.13933246521828524,0.1696850798437393,0.33611044479473645
EOS-2-13701,Fc1cccnc1CCOc1cncc2nnc(-c3ncc(-c4ncon4)c(Cl)n3)n12,IALKUCJIXQOEDB-UHFFFAOYSA-N,2,1,0.436,65,262,439.798,2.44,5,0.363,0.58,1.0,0.559343088205058,0.4658522376807621,0.08325337536837776,0.15124905763827018,0.314924439723117
EOS-2-13702,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)o1,KOLKPSZQGWGMNO-UHFFFAOYSA-N,2,1,0.484,4,208,439.798,2.415,5,0.425,0.64,1.0,0.587553971626345,0.5521640052086902,0.3673583030635323,0.37394626824754984,0.47025563703652934
EOS-2-13703,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2F)o1,DZPFGPIBPNDKAM-UHFFFAOYSA-N,2,1,0.366,51,924,439.798,2.706,5,0.376,0.52,0.999,0.5541857994654239,0.5063480912891508,0.11309197450483174,0.1436330614762525,0.32931473168391473
EOS-2-13704,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)ccc1-c1nnco1,QLRHQVFALFMPDB-UHFFFAOYSA-N,2,1,0.523,13,573,439.794,3.83,5,0.403,0.65,1.0,0.8210026728805428,0.6049019943800973,0.5349359194023713,0.5225481461174697,0.6208471831951203
EOS-2-13705,COc1nc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1-c1ncon1,ZRJZFTLUAUCTOP-UHFFFAOYSA-N,2,1,0.438,13,971,439.794,3.83,5,0.403,0.62,1.0,0.6843859228291412,0.5705143581659927,0.48330306353231445,0.48061304913988073,0.5547040984168322
EOS-2-13706,COc1cc(-c2nnc3cncc(Oc4ncc(-c5nnco5)cc4F)n23)ccc1Cl,KLCIWUJZNXDXDS-UHFFFAOYSA-N,2,1,0.418,13,706,439.794,3.83,5,0.403,0.74,1.0,0.8334761154136111,0.8229473648139264,0.6456548557329861,0.5816170927283942,0.7209238571722295
EOS-2-13707,O=c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)[nH]o1,INTNQVVCTOFFOG-UHFFFAOYSA-N,2,1,0.494,59,109,439.794,2.901,5,0.443,0.63,1.0,0.607797614968131,0.5809060379686107,0.5811973134123775,0.6179151531766157,0.5969540298814338
EOS-2-13708,O=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)o1,PXNYPSNBPDWPKY-UHFFFAOYSA-N,2,1,0.617,59,294,439.794,2.901,5,0.443,0.65,0.998,0.7302104036734973,0.6771554382838736,0.5972945651428964,0.6209392776368995,0.6563999211842917
EOS-2-13709,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cc(Cl)on5)c(F)n4)n23)cn1,ONKILYHQSIABEJ-UHFFFAOYSA-N,2,1,0.376,13,971,439.794,3.83,5,0.377,0.56,1.0,0.65063223905147,0.5909893084778288,0.5314320471523541,0.4592728394215612,0.5580816085258036
EOS-2-13710,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1nnco1,AGLIJZWZVCYJDK-UHFFFAOYSA-N,2,1,0.413,13,251,439.794,3.83,5,0.403,0.63,1.0,0.6537077650606539,0.5756545130559935,0.507581728462751,0.49591357686244947,0.558214395860462
EOS-2-13711,COc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1ncon1,JBLUEBNZIOBBER-UHFFFAOYSA-N,2,1,0.554,13,573,439.794,3.83,5,0.403,0.63,1.0,0.8262541977931601,0.6146597217462819,0.5109570968405182,0.5059540127475841,0.6144562572818861
EOS-2-13712,Fc1cncc(-c2cnnc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2F)c1,BQRHQEZQSYSSIX-UHFFFAOYSA-N,2,1,0.359,45,575,439.788,4.381,5,0.415,0.59,1.0,0.3771331642793503,0.662497429922555,0.9241141799739565,0.959435610993078,0.7307950962922349
EOS-2-13713,FC(F)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)c(Cl)c5)o4)n23)nc1,WWCAYXBMLSULHU-UHFFFAOYSA-N,2,1,0.299,22,315,460.231,5.148,5,0.366,0.72,0.694,0.35164656294976354,0.542680419436639,0.9005380028784867,0.935628126927558,0.6826232780481118
EOS-2-13714,FC(F)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5Cl)n4)n23)cn1,MRMBLNDPEMRXOS-UHFFFAOYSA-N,2,1,0.365,22,990,460.235,4.073,5,0.399,0.75,0.775,0.07561167843191008,0.412548831471455,0.6840689466109245,0.8155626756219587,0.4969480330340621
EOS-2-13715,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(OC(F)(F)F)cn3)n12,FRCLPBPKGYGBOA-UHFFFAOYSA-N,2,1,0.595,90,255,439.756,4.456,4,0.427,0.7,1.0,0.942233225961209,0.9799790967034473,0.9927952162291823,0.9881176752792817,0.9757813035432801
EOS-2-13716,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c(F)cc1OC(F)F,WKOYEDUMORASCU-UHFFFAOYSA-N,2,1,0.568,90,255,439.756,4.298,4,0.417,0.63,0.999,0.929905421150024,0.9631022548146118,0.9840740867658145,0.9814012062230142,0.9646207422383661
EOS-2-13717,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(OCc3cnc(F)c(Cl)c3)n12,FSFPBZRCBJEWDH-UHFFFAOYSA-N,2,1,0.61,90,255,439.756,4.298,4,0.329,0.71,1.0,0.9681139058323625,0.9795250496881639,0.9879463367829484,0.9856846686313481,0.9803174902337056
EOS-2-13718,Oc1cc(Cl)c(F)cc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)cn3)n12,ZQMDCPUSXWYORI-UHFFFAOYSA-N,2,1,0.542,68,255,439.756,4.282,4,0.478,0.65,1.0,0.8636659584675485,0.9207388115961894,0.9947313412377493,0.9902679734082653,0.9423510211774382
EOS-2-13719,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc(OC(F)(F)F)c1,ITUNQJMQTQSFHI-UHFFFAOYSA-N,2,1,0.584,23,255,439.756,4.456,4,0.427,0.79,1.0,0.9394575423206086,0.9712836680145295,0.9895826194229319,0.9834829689534644,0.9709516996778836
EOS-2-13720,Brc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cn2)cn1,XNCWLNLRMBLHOU-UHFFFAOYSA-N,2,1,0.612,97,390,460.295,3.985,5,0.367,0.77,1.0,0.512918922623535,0.6530138441505038,0.5109656637653348,0.4746676033171133,0.5378915084641217
EOS-2-13721,Brc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccccn5)n4)n23)cc1,IGUVRTMCNIGVEJ-UHFFFAOYSA-N,2,1,0.556,24,335,460.295,3.985,5,0.392,0.79,1.0,0.8431567404564457,0.8407237338085121,0.37903502158865054,0.4020886162703036,0.616251028030978
EOS-2-13722,Brc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc1,ZXOMIZCKIULFGY-UHFFFAOYSA-N,2,1,0.582,40,22,460.295,3.985,5,0.392,0.7,1.0,0.702367898019327,0.6722637242135563,0.5683811938866424,0.5330768967171544,0.6190224282091701
EOS-2-13723,Brc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1,AVQXINYIFUZWBR-UHFFFAOYSA-N,2,1,0.608,24,786,460.295,3.985,5,0.392,0.76,1.0,0.5707627989856761,0.6425793297238024,0.4588187924062778,0.4370416695223083,0.5273006476595161
EOS-2-13724,Fc1cc(-c2sc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)cnc1Cl,DBIAZJLHXPEDTC-UHFFFAOYSA-N,2,1,0.443,45,730,460.296,6.167,5,0.303,0.77,0.795,0.3723356863820163,0.7067798642999109,0.9637019395517785,0.9834915358782811,0.7565772565279967
EOS-2-13725,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3sccc3Br)n12,KNRMEFQRZJEEMJ-UHFFFAOYSA-N,2,1,0.6,90,708,439.697,4.987,4,0.45,0.75,1.0,0.9014203961346036,0.9528990473579604,0.8830786101021177,0.9250222740045233,0.9156050818998012
EOS-2-13726,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c(Cl)n2)no1,PTNGCOQCUCNJLZ-UHFFFAOYSA-N,2,1,0.466,7,338,460.306,4.492,5,0.354,0.63,1.0,0.5335823452813379,0.6284267699266671,0.2533839353025838,0.3610701802480981,0.44411580768967174
EOS-2-13727,Clc1nsc(Cl)c1CCOc1cncc2nnc(-c3ccnc(-c4cocn4)c3)n12,RHKHGOKDCBMQAR-UHFFFAOYSA-N,2,1,0.561,75,583,460.306,4.226,5,0.371,0.58,1.0,0.6244945514358166,0.6146682886710986,0.2497344253306833,0.39288773901720236,0.47044625111370014
EOS-2-13728,Fc1cc(-c2nnco2)cc(F)c1Oc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,VRHZXAHZWPOHQF-UHFFFAOYSA-N,2,1,0.562,13,138,460.322,4.931,5,0.351,0.75,1.0,0.9736909738880132,0.9567798642999109,0.9928037831539991,0.9819923240353643,0.9763167363443218
EOS-2-13729,Clc1csc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2)n1,LNERNBDZTSWEMA-UHFFFAOYSA-N,2,1,0.544,1,31,460.371,5.862,5,0.329,0.69,1.0,0.7597405935165513,0.8441162360359126,0.7028819135083271,0.7702779110410527,0.7692541635254608
EOS-2-13730,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)s4)n23)c(Cl)c1,PRJBQKGLYMNKEC-UHFFFAOYSA-N,2,1,0.568,24,268,460.371,5.862,5,0.329,0.72,1.0,0.6661555068192722,0.8689174833801658,0.7513792748954835,0.8354465081214447,0.7804746933040916
EOS-2-13731,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cc2F)cn1,ZOIUJJIQAUVSPI-UHFFFAOYSA-N,2,1,0.506,73,716,460.379,3.511,5,0.391,0.67,1.0,0.8700825851552326,0.8799431156192173,0.8628178329106984,0.8452727708861627,0.8645290761428277
EOS-2-13732,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2F)cn1,DMNRATUHPJNQRV-UHFFFAOYSA-N,2,1,0.523,73,716,460.379,3.511,5,0.391,0.66,1.0,0.8803286272359674,0.8931790144609691,0.894781029401686,0.8704852306216161,0.8846934754300596
EOS-2-13733,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)c(F)c1F,FDVIWHCOTDRMLB-UHFFFAOYSA-N,2,1,0.31,3,783,460.379,4.111,6,0.365,0.74,1.0,0.16044136796655473,0.3888184497292852,0.8165221712014256,0.8295181961483106,0.5488250462613941
EOS-2-13734,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)c(F)cn5)nn4)n23)c(F)c1,UVGTZLZCGNZBQA-UHFFFAOYSA-N,2,1,0.457,34,820,460.379,3.511,5,0.391,0.54,1.0,0.8027122883969571,0.8851518059077513,0.872652662600233,0.8735007881570831,0.8585043862655061
EOS-2-13735,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4cn(-c5cc(F)ccc5F)nn4)n23)cc1,NFRAYGADDIVOFA-UHFFFAOYSA-N,2,1,0.325,10,783,460.379,4.111,6,0.39,0.71,1.0,0.06971763415804264,0.19985778904804333,0.7182167089301624,0.8174730998560756,0.451316307998081
EOS-2-13736,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)c(F)c1F,SDHXBAUMDARNBZ-UHFFFAOYSA-N,2,1,0.306,3,158,460.379,4.111,6,0.365,0.68,1.0,0.11929442807209924,0.33091460489342744,0.7130251524912617,0.7891337125625385,0.48809197450483177
EOS-2-13737,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)c(F)n6)nn5)n34)o2)cc1,UOCJHDYJVGBZTN-UHFFFAOYSA-N,2,1,0.299,10,783,460.379,4.111,6,0.365,0.61,0.355,0.039861901171955316,0.15762284970187102,0.7313412377492975,0.7959958193406894,0.4312054519909533
EOS-2-13738,N#Cc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)cc1F,YZEMDQRUAYIIPD-UHFFFAOYSA-N,2,1,0.387,96,676,460.394,5.55,5,0.33,0.79,1.0,0.4928551847028991,0.7344681653073812,0.9983551504351997,0.9981067096155164,0.8059463025152491
EOS-2-13739,Fc1ncc(-c2ccc(-c3nnc4cncc(OC5COc6ccccc6O5)n34)cc2F)cn1,DNGBDXJCUARGKY-UHFFFAOYSA-N,2,1,0.451,97,222,460.4,3.703,6,0.375,0.6,1.0,0.9586988554588445,0.9092248646425879,0.9108354465081214,0.8591254883147146,0.9094711637310671
EOS-2-13740,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)no2)s1,PBCBFBMNWLYITC-UHFFFAOYSA-N,2,1,0.477,27,51,460.401,3.599,5,0.388,0.77,1.0,0.7086303200603111,0.6576399835515043,0.47601261051333016,0.4117435405386882,0.5635066136659584
EOS-2-13741,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1cnc(C#N)c(F)n1,PUBHIABIXRQJNU-UHFFFAOYSA-N,2,1,0.43,31,569,460.408,2.148,5,0.374,0.56,0.973,0.48551333013501474,0.3934274552806525,0.30447707490919057,0.30698718388047425,0.372601261051333
EOS-2-13742,Cn1c(C#N)ccc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,HALXHTFKVMBDHP-UHFFFAOYSA-N,2,1,0.6,1,528,460.419,5.48,5,0.355,0.79,1.0,0.9556575971489274,0.9207473785210061,0.9936262079363991,0.982874717291481,0.9632264752244535
EOS-2-13743,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5F)n34)s2)nc1,RBRFCNRJVOMIOW-UHFFFAOYSA-N,2,1,0.338,76,902,460.429,4.305,6,0.383,0.69,1.0,0.37234425330683296,0.49742135563018297,0.49681310396819955,0.5392622164347886,0.476460232335001
EOS-2-13744,Fc1cc(-c2ncc(COc3cncc4nnc(-c5ccc(C6CCOC6)cc5)n34)nn2)on1,MXTJZDFVIQQJHN-UHFFFAOYSA-N,2,1,0.473,89,926,460.429,2.853,6,0.373,0.58,1.0,0.5620845041463917,0.4353282845589747,0.17016482763347268,0.22031560551024604,0.34697330546227123
EOS-2-13745,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5F)n34)no2)cc1,ULAWGHWBKAFVJP-UHFFFAOYSA-N,2,1,0.351,3,923,460.429,4.305,6,0.383,0.71,1.0,0.2159122061544788,0.4216554725515729,0.5283222534439038,0.635545884449318,0.45035895414981836
EOS-2-13746,CCn1nc(-c2ccccc2F)nc1COc1cncc2nnc(-c3ccc([N+](=O)[O-])cc3)n12,KEJIDFKREQCXSB-UHFFFAOYSA-N,2,1,0.533,43,372,460.429,3.696,5,0.266,0.75,1.0,0.6245031183606332,0.45701117126996094,0.10238331848399698,0.061022205469124804,0.31122995339592896
EOS-2-13747,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(=O)n4C)n23)ccc1-c1cccnn1,KUOAMCYSPVHLPE-UHFFFAOYSA-N,2,1,0.398,72,925,460.429,2.069,5,0.375,0.68,1.0,0.5335909122061545,0.4125573983962717,0.18968028236584195,0.15640634637790418,0.32305873483654307
EOS-2-13748,COc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(OC)n4)n23)nn1,ACHIQVNKARVQMB-UHFFFAOYSA-N,2,1,0.381,49,122,460.429,2.774,5,0.335,0.6,0.999,0.5650486601329586,0.46586080460557877,0.28628092659858817,0.15907922692070453,0.3690674045644575
EOS-2-13749,Cn1nc(-c2nnc3cncc(OCC4COc5ncccc5O4)n23)cc1-c1ccc(F)cn1,DCTDUTPFTBXMOJ-UHFFFAOYSA-N,2,1,0.38,95,477,460.429,2.34,6,0.39,0.63,1.0,0.5515900212459736,0.5063566582139675,0.27886196970735383,0.24658179699814955,0.3958476115413611
EOS-2-13750,N#Cc1ccc(-c2nnc3cncc(Oc4cccc(-c5cncc6cnccc56)n4)n23)c(F)c1,LTAAFLJEYIBWGI-UHFFFAOYSA-N,2,1,0.379,41,318,460.432,4.6,6,0.375,0.67,1.0,0.8262627647179769,0.8772616681516003,0.8361918305804948,0.8253975053114934,0.8412784421903914
EOS-2-13751,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)nn2)c1,KKDBPFJKZPUOEP-UHFFFAOYSA-N,2,1,0.283,39,144,460.436,3.507,6,0.392,0.65,1.0,0.015788842437118773,0.11471969021999863,0.49682167089301627,0.6057672537865808,0.30827436433417865
EOS-2-13752,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(Oc5ccccc5)c4)n23)cc1,KXEJAWWTMYXNIB-UHFFFAOYSA-N,2,1,0.8,17,590,460.44,5.764,5,0.293,0.8,1.0,0.9783770817627304,0.9386950860119252,0.9628281132204783,0.939860187786992,0.9549401171955315
EOS-2-13753,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)cc1,WPDFGFIOEJUJFF-UHFFFAOYSA-N,2,1,0.836,17,590,460.44,5.764,5,0.293,0.82,1.0,0.9759012404907135,0.9048728668357207,0.9650469467479953,0.9415221712014256,0.9468358063189637
EOS-2-13754,COc1nc(-c2nnc3cncc(OCCc4cc(F)cc(F)n4)n23)ccc1-c1ccccc1,JWMICFFILZGCND-UHFFFAOYSA-N,2,1,0.417,11,198,460.444,4.157,5,0.337,0.65,0.982,0.777208553217737,0.6284353368514838,0.597303132067713,0.5559334521280241,0.6397201185662396
EOS-2-13755,FC(F)Oc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nc1,PGBXMUPPAHEVFN-UHFFFAOYSA-N,2,1,0.69,11,275,460.444,4.471,5,0.338,0.81,1.0,0.9030909464738538,0.9225721335069563,0.8254146391611267,0.7654461654444521,0.8541309711465972
EOS-2-13756,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)nn2)cc1F,FSDWARKXLFVUSI-UHFFFAOYSA-N,2,1,0.575,19,691,460.444,4.157,5,0.36,0.72,1.0,0.7857926118840382,0.7609142622164348,0.7897419642245219,0.7446199712151326,0.7702672023850318
EOS-2-13757,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)ccc1-c1ccccn1,TZPZCCVGGJNURR-UHFFFAOYSA-N,2,1,0.511,49,703,460.444,4.157,5,0.36,0.75,1.0,0.8287814406140772,0.7019481187033103,0.6840775135357412,0.6209478445617161,0.7089387293537113
EOS-2-13758,COc1cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cn2)ccn1,IEGIMJVJYQWGAD-UHFFFAOYSA-N,2,1,0.552,84,749,460.444,4.157,5,0.36,0.72,1.0,0.8262713316427935,0.8477057775340964,0.7985573298608731,0.7129223493934618,0.7963641971078061
EOS-2-13759,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ccc(F)cc1,HZEZIAVFQXOSLF-UHFFFAOYSA-N,2,1,0.453,11,275,460.444,4.157,5,0.36,0.76,0.993,0.8155369748475088,0.7205383455554794,0.6705332054005894,0.6236978274278665,0.707576588307861
EOS-2-13760,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1ccccn1,VNXVSYICQWVDGY-UHFFFAOYSA-N,2,1,0.593,49,703,460.444,4.157,5,0.36,0.72,0.998,0.8840638064560346,0.7067884312247276,0.7053491878555274,0.6294119662805839,0.7314033479542184
EOS-2-13761,COc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)c1,GIAPTBYNJVTPJL-UHFFFAOYSA-N,2,1,0.505,84,137,460.444,4.157,5,0.36,0.74,1.0,0.8523918854088136,0.8112106778150915,0.8362003975053115,0.77506682201357,0.8187174456856966
EOS-2-13762,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccncc5CO)c4)n23)c1F,CLZNPAYZSSHHNL-UHFFFAOYSA-N,2,1,0.478,97,606,460.444,3.906,5,0.41,0.62,1.0,0.8589370159687478,0.7740473579603866,0.897333972997053,0.8394558289356453,0.8424435439654581
EOS-2-13763,COc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)nc2)c1,BUEHIJIXUCKXDE-UHFFFAOYSA-N,2,1,0.591,84,308,460.444,4.157,5,0.36,0.83,1.0,0.8965972174628195,0.8035261462545404,0.8553560413953807,0.7866064697416215,0.8355214687135906
EOS-2-13764,COc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cn1,BRVSUJFVCQNBNM-UHFFFAOYSA-N,2,1,0.663,84,360,460.444,4.157,5,0.36,0.78,1.0,0.9138767048180385,0.8657648550476321,0.7835223768076212,0.6848999383181413,0.8120159687478583
EOS-2-13765,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1cncnc1,ZUVGCFMYEWLQGS-UHFFFAOYSA-N,2,1,0.686,91,313,460.444,4.157,5,0.36,0.75,1.0,0.9605750119936948,0.877270235076417,0.8923480227537524,0.8234271126036597,0.888405095606881
EOS-2-13766,COc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)n1,HEUAZASXMFUIBN-UHFFFAOYSA-N,2,1,0.505,11,137,460.444,4.157,5,0.36,0.72,1.0,0.796989582619423,0.7114060037009116,0.7857412103351381,0.7129309163182784,0.7517669282434378
EOS-2-13767,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cn2)cn1,NESPVQMZPLHJRL-UHFFFAOYSA-N,2,1,0.547,84,749,460.444,4.157,5,0.36,0.75,1.0,0.880337194160784,0.879951682544034,0.7961328901377561,0.707165375916661,0.8158967856898087
EOS-2-13768,CCc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ccc(CO)nc1,KWILWZXBIRXKHD-UHFFFAOYSA-N,2,1,0.378,13,145,460.444,4.374,5,0.402,0.69,0.916,0.6273987389486669,0.6820214515797409,0.7536409430470838,0.7016911109588102,0.6911880611335754
EOS-2-13769,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)cc5)nc4)n23)nc1,MIVVRUUGNVGYAR-UHFFFAOYSA-N,2,1,0.619,1,996,460.444,4.737,5,0.347,0.82,1.0,0.8080837502570077,0.7251045164827633,0.8804742649578507,0.8088376396408745,0.8056250428346241
EOS-2-13770,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C6COC6)c5)cc4)n23)cc1F,DSACXVOLTLNTCQ-UHFFFAOYSA-N,2,1,0.679,43,322,460.444,4.083,6,0.38,0.68,1.0,0.6723408265369063,0.6237406620519498,0.8327650606538277,0.8215509560688096,0.7375993763278733
EOS-2-13771,COc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)c(F)c3)n12,HAXZDPQUMZDTMM-UHFFFAOYSA-N,2,1,0.538,88,313,460.444,4.157,5,0.36,0.7,1.0,0.9660664108011788,0.9111010211774382,0.8523747515591803,0.7750753889383867,0.876154393119046
EOS-2-13772,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)F)n34)cc2)nn1,JDZKGVHLNGRZBN-UHFFFAOYSA-N,2,1,0.595,1,431,460.444,4.737,5,0.347,0.77,1.0,0.8700911520800494,0.7655318346926188,0.8778185182646837,0.8003049825234734,0.8284366218902063
EOS-2-13773,COc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c2)nn1,YXPYQVHWKXCGHB-UHFFFAOYSA-N,2,1,0.548,1,138,460.444,4.774,5,0.346,0.77,1.0,0.9321842231512576,0.7867863751627716,0.8983020355013365,0.8133695428688917,0.8576605441710643
EOS-2-13774,CCOc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cn1,OZKNZYFCLFTOGU-UHFFFAOYSA-N,2,1,0.483,59,884,460.444,4.504,5,0.353,0.72,1.0,0.7451168528544994,0.7344767322321979,0.8641799739565486,0.7982146528682065,0.7854970529778631
EOS-2-13775,COc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4ccccc4F)nn3)n12,HYWQIJRXGHINOJ-UHFFFAOYSA-N,2,1,0.5,19,691,460.444,4.157,5,0.36,0.78,0.998,0.867829483928449,0.7867949420875883,0.7489462682475498,0.7181653073812624,0.7804340004112125
EOS-2-13776,OCc1ccc(F)cc1-c1cc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1F,VRMVJINYRWKFBJ-UHFFFAOYSA-N,2,1,0.533,88,70,460.444,3.64,5,0.396,0.7,0.993,0.8678380508532657,0.8799602494688507,0.8344099102186279,0.8215595229936262,0.8509419333835927
EOS-2-13777,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1cnccn1,DJTJAYAYVBGFHE-UHFFFAOYSA-N,2,1,0.694,35,313,460.444,4.157,5,0.36,0.77,1.0,0.9531646220272771,0.8631519429785485,0.8614299910903982,0.779967103008704,0.864428414776232
EOS-2-13778,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)cc(F)c1=O,VMYPJNSNZFEVOS-UHFFFAOYSA-N,2,1,0.59,35,393,460.444,3.452,5,0.386,0.69,1.0,0.6162617366869988,0.5290161743540539,0.7897505311493387,0.7702864779658694,0.6763287300390652
EOS-2-13779,CCOc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cccnc1,JOHZTBRPYVLYOQ-UHFFFAOYSA-N,2,1,0.417,59,910,460.444,4.504,5,0.353,0.81,0.949,0.7969981495442396,0.647899390034953,0.7742786649304366,0.7043211568775273,0.7308743403467891
EOS-2-13780,Cc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5cnc(C(F)F)nc5)c4)n23)c1,ZGYGROLDYFJTIE-UHFFFAOYSA-N,2,1,0.522,75,454,460.448,3.906,5,0.36,0.73,0.997,0.7147128366801453,0.6919505174422589,0.5038979507915838,0.3802429579878007,0.5727010657254472
EOS-2-13781,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)n1,YXYIUJQMLVPCOL-UHFFFAOYSA-N,2,1,0.433,18,531,460.448,3.555,5,0.379,0.62,1.0,0.6104961962853814,0.5063652251387842,0.40453018984305394,0.3642485093550819,0.47141003015557537
EOS-2-13782,COc1cc(-c2nnc3cncc(OCc4ncc(C)nn4)n23)ccc1-c1c(C)oc(=O)n1C,QTIUSDRGDFNARN-UHFFFAOYSA-N,2,1,0.402,36,458,460.454,2.139,5,0.371,0.52,1.0,0.2490919059694332,0.16927386745253922,0.04058152285655541,0.015883078610102117,0.1187075937221575
EOS-2-13783,CCOc1cc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)ccc1-c1nnc(OC)o1,LQWPDTWLACAJHW-UHFFFAOYSA-N,2,1,0.454,72,224,460.454,2.926,5,0.338,0.56,1.0,0.3131039681995751,0.17384003837982318,0.09493866081831266,0.030703858542937428,0.1531466314851621
EOS-2-13784,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ncon5)s4)n23)ccc1-c1cc[nH]n1,PQHQFIZNNZTLAH-UHFFFAOYSA-N,2,1,0.479,4,763,460.454,4.011,6,0.396,0.59,1.0,0.7568107052292509,0.6968593653622096,0.4262816119525735,0.4214584332807895,0.5753525289562058
EOS-2-13785,CCn1nc(-c2nnc3cncc(OCc4cncnc4OC)n23)cc1-c1cncc(OC)n1,ODDBSYGYOSLSTJ-UHFFFAOYSA-N,2,1,0.347,31,828,460.458,1.851,5,0.335,0.56,1.0,0.13842437118771847,0.00902953875676787,0.021511548214652867,0.005499965732300733,0.04361635597285999
EOS-2-13786,Cc1c(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2)ccc(F)c1F,CLULBHQNJRORPJ-UHFFFAOYSA-N,2,1,0.688,57,497,460.459,5.806,5,0.321,0.74,1.0,0.9945343019669659,0.9911503666643822,0.9765608937015968,0.9723973682406963,0.9836607326434104
EOS-2-13787,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cn2)c1,AKNWVKOLKAIEED-UHFFFAOYSA-N,2,1,0.411,80,350,460.461,3.074,6,0.365,0.61,1.0,0.40348502501542044,0.37935199780686724,0.30060482489205675,0.26790487286683573,0.337836680145295
EOS-2-13788,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncccn6)n5)n34)cn2)nc1,QYYOBEOJHBZDLD-UHFFFAOYSA-N,2,1,0.442,80,297,460.461,3.074,6,0.365,0.64,1.0,0.3971712014255363,0.3746059214584333,0.14519224179288603,0.13441505037351792,0.2628461037625934
EOS-2-13789,c1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)ccn1,TZZQGXLQJJSJGG-UHFFFAOYSA-N,2,1,0.418,80,277,460.461,3.074,6,0.365,0.67,1.0,0.31311253512439174,0.2757264752244534,0.2605287505996847,0.2293708450414639,0.2696846514974985
EOS-2-13790,c1cnnc(COc2cncc3nnc(-c4ccc(-c5ccc(-c6cncnc6)nc5)nc4)n23)c1,LNCIZGFGUPETFN-UHFFFAOYSA-N,2,1,0.43,6,280,460.461,3.074,6,0.365,0.7,1.0,0.39717976835035296,0.38882701665410185,0.3191522171201426,0.27058632033445273,0.34393633061476253
EOS-2-13791,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cccnn6)n5)n34)cn2)cc1,VPGLTMWEMXWXLT-UHFFFAOYSA-N,2,1,0.402,81,363,460.461,3.074,6,0.365,0.62,1.0,0.4328524432869577,0.3406209307107121,0.1452008087177027,0.17784079226920704,0.2741287437461449
EOS-2-13792,c1ccc(-c2ncc(-c3nnc4cncc(OCc5ncnnc5-c5ccccn5)n34)cn2)cc1,OMWPXFUWIHGPTD-UHFFFAOYSA-N,2,1,0.468,28,363,460.461,3.074,6,0.365,0.62,1.0,0.3678123500788157,0.31163902405592486,0.10239188540881365,0.12796415598656707,0.2274518538825303
EOS-2-13793,c1ncc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cncnc6)n5)n34)cc2)cn1,MPABSCMTSOAROX-UHFFFAOYSA-N,2,1,0.427,94,621,460.461,3.074,6,0.365,0.63,1.0,0.5620930710712083,0.5018590226852169,0.33008361318621066,0.2912411760674388,0.4213192207525187
EOS-2-13794,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncccn6)n5)n34)cc2)nc1,VROZTIUVZDHDCW-UHFFFAOYSA-N,2,1,0.471,80,8,460.461,3.074,6,0.365,0.72,1.0,0.5079586731546843,0.45260777191419366,0.16397950791583854,0.14364162840106914,0.3170468953464464
EOS-2-13795,c1cnnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cncnn6)cc5)n34)n2)c1,UHXPSTJETGDUEE-UHFFFAOYSA-N,2,1,0.479,81,609,460.461,3.074,6,0.365,0.62,1.0,0.4584418477143445,0.3458039202247961,0.2933914741964225,0.2647693783839353,0.3406016551298746
EOS-2-13796,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nn5)n34)cn2)nc1,FMPVBORJZGNQNP-UHFFFAOYSA-N,2,1,0.462,6,297,460.461,3.074,6,0.365,0.68,1.0,0.4101843602220547,0.3602049208416147,0.24604208073469946,0.21749708724556233,0.3084821122609828
EOS-2-13797,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cc2)cn1,CDQCMHDVRGLNPE-UHFFFAOYSA-N,2,1,0.461,80,621,460.461,3.074,6,0.365,0.63,1.0,0.4756013981221301,0.4438866424508259,0.39742820917003635,0.3383763964087451,0.41382316153793436
EOS-2-13798,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncccn6)nc5)n34)cc2)nc1,MUPWPPDYTFJJJI-UHFFFAOYSA-N,2,1,0.532,80,8,460.461,3.074,6,0.365,0.69,1.0,0.7657117401137687,0.5381485162086218,0.16706360084983893,0.13892981975190186,0.40246341923103285
EOS-2-13799,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncnc5-c5cncnc5)n34)cc2)cn1,FFZRSCWHIXRBSV-UHFFFAOYSA-N,2,1,0.461,80,355,460.461,3.074,6,0.365,0.65,1.0,0.6078061818929477,0.4570197381947776,0.3561784661777808,0.30699575080529096,0.4320000342676993
EOS-2-13800,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cnccn6)n5)n34)cn2)nc1,WRVJUVMQAKPGFK-UHFFFAOYSA-N,2,1,0.418,80,297,460.461,3.074,6,0.365,0.66,1.0,0.45400418065931053,0.42166403947638953,0.1639880748406552,0.14627167431978616,0.2964819923240354
EOS-2-13801,c1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)c1,DNTDDZPZTQYGFM-UHFFFAOYSA-N,2,1,0.455,80,277,460.461,3.074,6,0.365,0.69,1.0,0.43286101021177437,0.3888355835789185,0.2605373175245014,0.22032417243506272,0.3256395209375642
EOS-2-13802,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnncn6)cn5)n34)cc2)nc1,BDAQRXAMQSOTTP-UHFFFAOYSA-N,2,1,0.523,40,25,460.461,3.074,6,0.365,0.63,1.0,0.4829346857651977,0.36021348776643136,0.33403296552669454,0.2705948872592694,0.36194400657939824
EOS-2-13803,c1ccc(-c2cccc(COc3cncc4nnc(-c5cnc(-c6cncnc6)cn5)n34)n2)nc1,CSQDPNNYCGUALR-UHFFFAOYSA-N,2,1,0.446,6,297,460.461,3.074,6,0.365,0.61,1.0,0.29742649578507296,0.2343996299088479,0.20716537591666095,0.1889777945308752,0.23199232403536424
EOS-2-13804,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cc2)nc1,UJMZYOBULWSKSX-UHFFFAOYSA-N,2,1,0.457,40,8,460.461,3.074,6,0.365,0.57,1.0,0.5178963059420191,0.38884415050373516,0.2172914810499623,0.1943492563909259,0.3295952984716606
EOS-2-13805,c1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cn1,KOHLRZBWLGFXSK-UHFFFAOYSA-N,2,1,0.409,80,147,460.461,3.074,6,0.365,0.62,1.0,0.5541943663902406,0.470289904735796,0.27527242820917003,0.2465903639229662,0.3865867658145432
EOS-2-13806,c1cncc(-c2cnnc(-c3nnc4cncc(OCc5cccc(-c6cnccn6)n5)n34)c2)c1,XGEUIFLOAKCCPF-UHFFFAOYSA-N,2,1,0.417,6,277,460.461,3.074,6,0.365,0.61,1.0,0.25961208964430127,0.21924473990816257,0.24605064765951615,0.23505928311973134,0.23999169008292784
EOS-2-13807,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cn2)c1,HUVXNPBHTUTUPZ-UHFFFAOYSA-N,2,1,0.419,6,843,460.461,3.074,6,0.365,0.59,1.0,0.42377150298128985,0.360222054691248,0.2353334247138647,0.2231255568501131,0.31061313480912894
EOS-2-13808,Cn1c(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)nccc1=O,QNHJSLJKPATLSZ-UHFFFAOYSA-N,2,1,0.272,30,301,460.461,2.466,6,0.389,0.57,0.757,0.1305342334315674,0.032580015077787676,0.07210780618189294,0.12583955863203344,0.09026540333082037
EOS-2-13809,c1cnc(-c2cccc(COc3cncc4nnc(-c5ccnc(-c6cnccn6)c5)n34)n2)nc1,GKDAAGHXEAPEPX-UHFFFAOYSA-N,2,1,0.478,80,34,460.461,3.074,6,0.365,0.6,1.0,0.34496436159276267,0.2705691864848194,0.1864505517099582,0.15366493043657048,0.23891225755602769
EOS-2-13810,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cc2)nc1,MCWAPBJYXOQSJR-UHFFFAOYSA-N,2,1,0.462,80,355,460.461,3.074,6,0.365,0.66,1.0,0.4977383318483997,0.4077856212733877,0.28988760194640534,0.23217222945651428,0.35689594613117676
EOS-2-13811,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnn6)n5)n34)cn2)nc1,AIFFXFOPVMCRIU-UHFFFAOYSA-N,2,1,0.473,28,297,460.461,3.074,6,0.365,0.67,1.0,0.40349359194023715,0.3357720512644781,0.22435919402371324,0.20294188198204371,0.29164167980261807
EOS-2-13812,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)nc1,WCMLIZRUOXMIJK-UHFFFAOYSA-N,2,1,0.5,80,34,460.461,3.074,6,0.365,0.62,1.0,0.5515985881707902,0.3983020355013364,0.23902576930984853,0.1916592419984922,0.3451464087451168
EOS-2-13813,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cc2)c1,CPTZXUWVNOSDPB-UHFFFAOYSA-N,2,1,0.423,40,350,460.461,3.074,6,0.365,0.64,1.0,0.44686793228702626,0.3983106024261531,0.32276745939277635,0.2882684531560551,0.3640536118155027
EOS-2-13814,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cn2)nc1,WIMZDAHZXABFKQ-UHFFFAOYSA-N,2,1,0.436,80,297,460.461,3.074,6,0.365,0.65,1.0,0.3794376670550339,0.3602306216160647,0.24974299225549998,0.22313412377492975,0.30313635117538207
EOS-2-13815,c1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cn1,OOXIOQMNVLFXRU-UHFFFAOYSA-N,2,1,0.43,80,277,460.461,3.074,6,0.365,0.6,1.0,0.4468764992118429,0.3888527174285518,0.32638270166541017,0.2912497429922555,0.3633404153245151
EOS-2-13816,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)nc2)nc1,FLVUFLBBFNKWGA-UHFFFAOYSA-N,2,1,0.446,6,297,460.461,3.074,6,0.365,0.59,1.0,0.3655506819272154,0.255157288739634,0.18968884929065863,0.18348639572339112,0.2484708039202248
EOS-2-13817,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6nccnn6)c5)n34)cc2)cn1,IVOIOOYFBJIQMK-UHFFFAOYSA-N,2,1,0.482,40,355,460.461,3.074,6,0.365,0.54,1.0,0.62451168528545,0.46163731067096153,0.3044856418340073,0.2679134397916524,0.4146370193955178
EOS-2-13818,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccnnc6)cn5)n34)cc2)nc1,ZKUHGTQXRGDETQ-UHFFFAOYSA-N,2,1,0.467,40,8,460.461,3.074,6,0.365,0.67,1.0,0.47045267630731274,0.38886128435336853,0.289896168871222,0.23810910835446508,0.3468298094715921
EOS-2-13819,c1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc(-c2cncnn2)c1,KHTWCXQGVXIFDX-UHFFFAOYSA-N,2,1,0.473,40,355,460.461,3.074,6,0.365,0.55,1.0,0.434985607566308,0.3309231718182441,0.3006133918168734,0.26792200671646904,0.33361104447947365
EOS-2-13820,c1ccc(-c2ncncc2-c2nnc3cncc(OCc4cnc(-c5ccnnc5)cn4)n23)cc1,KIIDWEAWSWBKHK-UHFFFAOYSA-N,2,1,0.408,6,355,460.461,3.074,6,0.365,0.61,1.0,0.3516551298745802,0.21925330683297922,0.23903433623466522,0.23811767527928174,0.2620151120553766
EOS-2-13821,c1cnc(-c2cccc(COc3cncc4nnc(-c5ccnc(-c6cncnc6)c5)n34)n2)nc1,RVUOHJPMYAVXPD-UHFFFAOYSA-N,2,1,0.462,80,597,460.461,3.074,6,0.365,0.57,0.989,0.31552840792269204,0.28059248852032076,0.23179528476458092,0.1916678089233089,0.2548959975327256
EOS-2-13822,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnccn6)cn5)n34)cn2)nc1,ZDDOVUPXODTHIY-UHFFFAOYSA-N,2,1,0.5,80,277,460.461,3.074,6,0.365,0.59,1.0,0.41921389897882255,0.369842711260366,0.2106435473922281,0.1834949626482078,0.2957987800699061
EOS-2-13823,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nn5)n34)cc2)cn1,CXGWRTDYAHURDU-UHFFFAOYSA-N,2,1,0.477,40,868,460.461,3.074,6,0.365,0.64,1.0,0.48294325269001437,0.43057364128572406,0.3790435885134672,0.3352409019258447,0.4069503461037626
EOS-2-13824,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnccn6)nn5)n34)nc2)cc1,IPOFTPBXGPNIBQ-UHFFFAOYSA-N,2,1,0.418,6,355,460.461,3.074,6,0.365,0.59,0.999,0.3586714412994312,0.2705777534096361,0.14226235350558564,0.17503084092934001,0.2366355972859982
EOS-2-13825,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nn5)n34)cn2)c1,OROATZUBSIWDNC-UHFFFAOYSA-N,2,1,0.44,6,280,460.461,3.074,6,0.365,0.64,1.0,0.43762422040984167,0.37461448838324996,0.2971780549653896,0.26183949009663493,0.3428140634637791
EOS-2-13826,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cn2)cn1,DAKUULHLVLETAC-UHFFFAOYSA-N,2,1,0.292,70,392,460.461,3.171,6,0.378,0.68,1.0,0.33547220889589474,0.1692824343773559,0.33725412925776166,0.2618480570214516,0.27596420738811595
EOS-2-13827,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnccn6)cn5)n34)cn2)cn1,RCTZHYQTJZWSEP-UHFFFAOYSA-N,2,1,0.329,86,443,460.461,3.171,6,0.378,0.66,1.0,0.31553697484750876,0.2093842094441779,0.27887053663217054,0.2087245562332945,0.2531290692892879
EOS-2-13828,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nn5)n34)nn2)c1,YZLXSCNULOYHCH-UHFFFAOYSA-N,2,1,0.446,6,826,460.461,3.074,6,0.365,0.75,1.0,0.3840723733808512,0.2806010554451374,0.20357583441847715,0.20593173874306078,0.2685452504968816
EOS-2-13829,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccnnc6)n5)n34)cc2)cn1,JPTDPNZTFLFFSL-UHFFFAOYSA-N,2,1,0.417,40,350,460.461,3.074,6,0.365,0.62,1.0,0.4035021588650538,0.364813926392982,0.389932149955452,0.3480484545267631,0.3765741724350627
EOS-2-13830,c1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)nn2)c1,FCJSFOKEJDDONI-UHFFFAOYSA-N,2,1,0.409,6,280,460.461,3.074,6,0.365,0.66,1.0,0.3401668836954287,0.265214858474402,0.28990473579603865,0.26185662394626824,0.2892857754780344
EOS-2-13831,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nc4)n23)s1,DOWPTQYMYHDXRV-UHFFFAOYSA-N,2,1,0.538,11,275,460.469,4.686,5,0.365,0.72,1.0,0.9587074223836611,0.9452916181207593,0.8671955314920157,0.8606504009320814,0.9079612432321295
EOS-2-13832,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c(F)c1F,HETIRIDQRGAMEV-UHFFFAOYSA-N,2,1,0.607,91,660,460.469,4.686,5,0.365,0.75,1.0,0.9579792337742444,0.9663576862449456,0.9039305051058872,0.8719930093893496,0.9250651086286067
EOS-2-13833,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)s2)nc1,NLJVSJVTZBWJJS-UHFFFAOYSA-N,2,1,0.329,38,126,439.529,5.1,6,0.38,0.74,1.0,0.03682064286203824,0.12110204920841615,0.4045387567678706,0.45285621273387705,0.25382941539305054
EOS-2-13834,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)cs1,BABMJHRIDUCCGK-UHFFFAOYSA-N,2,1,0.328,69,894,439.529,5.1,6,0.38,0.71,1.0,0.05016791172640669,0.1147282571448153,0.5383969570283051,0.5720135700089096,0.3188266739771092
EOS-2-13835,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)n1,ABKVSEQKFAOVOB-UHFFFAOYSA-N,2,1,0.328,69,894,439.529,5.1,6,0.38,0.79,1.0,0.041352546090055516,0.11473682406963197,0.4833116304571311,0.5127818518264684,0.2880457131108217
EOS-2-13836,c1cc(-c2ccsc2)cc(-c2nnc3cncc(-c4ncc(-c5ccnnc5)s4)n23)c1,MVRKMTDQCIQBJX-UHFFFAOYSA-N,2,1,0.329,42,818,439.529,5.1,6,0.38,0.61,1.0,0.07755637036529367,0.10855150435199781,0.4373243780412583,0.4959221437872661,0.279838599136454
EOS-2-13837,c1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccsc6)s5)n34)cc2)ccn1,CXKCMLNCWRUUAN-UHFFFAOYSA-N,2,1,0.348,38,174,439.529,5.1,6,0.38,0.63,1.0,0.04865156603385649,0.14604893427455282,0.3340415324515112,0.427712288396957,0.23911358028921936
EOS-2-13838,c1ccc(-c2ncncc2-c2nnc3cncc(-c4nc(-c5ccsc5)cs4)n23)cc1,XMOJNQVEDKGTAA-UHFFFAOYSA-N,2,1,0.311,32,515,439.529,5.1,6,0.38,0.75,0.995,0.0915204578164622,0.11772668083064904,0.25339250222740045,0.34473305462271264,0.2018431738743061
EOS-2-13839,c1ccc(-c2ncsc2-c2nnc3cncc(-c4cccc(-c5ccsc5)n4)n23)nc1,NPDUXCPBXSDKKH-UHFFFAOYSA-N,2,1,0.297,32,368,439.529,5.1,6,0.38,0.63,1.0,0.04705811801795627,0.07945822767459393,0.2035844013432938,0.28827702008087175,0.15459444177917894
EOS-2-13840,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)nc2)cs1,JPLIJFXAKUTSCF-UHFFFAOYSA-N,2,1,0.278,42,339,439.529,5.1,6,0.38,0.75,1.0,0.02807381262422041,0.04943972311698992,0.4968302378178329,0.5559420190528408,0.282571448152971
EOS-2-13841,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)cc1,XRBJPWYRLGWYGM-UHFFFAOYSA-N,2,1,0.311,32,515,439.529,5.1,6,0.38,0.69,0.995,0.11101021177438147,0.12828113220478377,0.3263912685902269,0.4049585360838873,0.24266028716331986
EOS-2-13842,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)nc2)c1,NPMRKWGQSKYYBW-UHFFFAOYSA-N,2,1,0.31,38,787,439.529,5.1,6,0.38,0.65,1.0,0.10099547666369679,0.18218422315125762,0.429751216503324,0.4653810568158454,0.29457799328353096
EOS-2-13843,c1cncc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cs2)c1,CTTKTHLOAHNGBO-UHFFFAOYSA-N,2,1,0.319,32,479,439.529,5.1,6,0.38,0.66,1.0,0.05338907545747378,0.16157220204235487,0.3826673977109177,0.41798882873003906,0.25390437598519633
EOS-2-13844,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cn2)cc1,PNGULRBKZJKPAD-UHFFFAOYSA-N,2,1,0.329,30,541,439.529,5.1,6,0.38,0.7,0.999,0.03159481872387088,0.11177266808306491,0.3561870331025975,0.4432098553903091,0.2356910938249606
EOS-2-13845,c1ccc(-c2nnccc2-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)cc1,ZHTOPNUBZXXJMG-UHFFFAOYSA-N,2,1,0.311,30,541,439.529,5.1,6,0.38,0.52,1.0,0.08640600370091152,0.14245082585155233,0.32277602631759306,0.4084281406346378,0.24001524912617367
EOS-2-13846,c1cncc(-c2csc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)c1,BMAJTOZTBWMHNN-UHFFFAOYSA-N,2,1,0.319,32,479,439.529,5.1,6,0.38,0.73,1.0,0.05339764238229045,0.16929100130217256,0.31916078404495923,0.3574806387499143,0.22483251661983414
EOS-2-13847,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)cc2)cs1,LDVNLRYZCZEWIP-UHFFFAOYSA-N,2,1,0.315,38,818,439.529,5.1,6,0.38,0.72,1.0,0.056995750805290936,0.10519326982386402,0.5146580083613186,0.5655883763964088,0.31060885134672056
EOS-2-13848,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)nc2)cc1,RYSXOUGNPFETMF-UHFFFAOYSA-N,2,1,0.292,30,301,439.529,5.1,6,0.38,0.69,0.979,0.029221780549653895,0.0794667945994106,0.3487595092865465,0.4496007813035433,0.22676221643478855
EOS-2-13849,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncsn6)cc5)n34)nc2)cs1,OLHVRMVTXRQYMS-UHFFFAOYSA-N,2,1,0.354,42,983,439.529,5.1,6,0.38,0.69,1.0,0.11101877869919814,0.142459392776369,0.4623397985059283,0.49267527928174903,0.30212331231581113
EOS-2-13850,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)nc2)cn1,QCLYSTRQARRMEG-UHFFFAOYSA-N,2,1,0.26,94,165,439.529,5.1,6,0.38,0.65,0.996,0.05017647865122336,0.10187786991981358,0.462348365430745,0.4959307107120828,0.2775833561784662
EOS-2-13851,c1ccc(-c2ncccc2-c2nnc3cncc(-c4nnc(-c5ccsc5)s4)n23)cc1,XRNDNEPINXIOCW-UHFFFAOYSA-N,2,1,0.315,30,371,439.529,5.1,6,0.38,0.64,0.883,0.0570043177301076,0.10856007127681447,0.17676992666712357,0.2853985333424714,0.15693321225412926
EOS-2-13852,Fc1ccc(Oc2nccnc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,XACULDGWXZYCCM-UHFFFAOYSA-N,2,1,0.448,93,107,460.472,5.847,6,0.321,0.83,1.0,0.6020749091905969,0.7344852991570145,0.7961414570625728,0.8234356795284764,0.7390343362346652
EOS-2-13853,Fc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c1,BEPYJDJYWOALEO-UHFFFAOYSA-N,2,1,0.407,12,93,460.472,5.847,6,0.321,0.83,1.0,0.7481581111644164,0.72511308340758,0.8456839832773627,0.8487595092865465,0.7919286717839764
EOS-2-13854,Oc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)nc4)n23)cc1,HRJOCYKZEWTUAR-UHFFFAOYSA-N,2,1,0.341,69,695,460.472,5.427,6,0.378,0.68,1.0,0.43499417449112465,0.552172572133507,0.8490593516551299,0.8487680762113632,0.6712485436227812
EOS-2-13855,Fc1cc(-c2ccccc2)ccc1Oc1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,ICRJLYMDSHXJDS-UHFFFAOYSA-N,2,1,0.476,12,285,460.472,5.847,6,0.321,0.79,1.0,0.8386248372284285,0.822955931738743,0.9089849907477212,0.904401685970804,0.8687418614214242
EOS-2-13856,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)ccc1-c1cccnc1,HALSKIWEMYHSJC-UHFFFAOYSA-N,2,1,0.444,12,987,460.472,5.847,6,0.321,0.72,1.0,0.8386334041532452,0.794950654513056,0.8726612295250497,0.8704937975464327,0.8441847714344458
EOS-2-13857,Fc1ccccc1Oc1ncccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,YQNAAFKGLJAZLS-UHFFFAOYSA-N,2,1,0.337,69,695,460.472,5.847,6,0.321,0.75,1.0,0.4804417106435474,0.6284439037763004,0.8254232060859434,0.8111164416421082,0.6863563155369748
EOS-2-13858,CCn1cncc1-c1cc(CO)nc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)c1,PCGQAXDZGITBPW-UHFFFAOYSA-N,2,1,0.352,31,211,460.473,2.984,5,0.394,0.63,0.993,0.3562727023507642,0.2344081968336646,0.397436776094853,0.2764974984579535,0.3161537934343088
EOS-2-13859,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)c(OC)c1,YGVQGLVMZVRWRV-UHFFFAOYSA-N,2,1,0.495,15,771,460.473,3.234,5,0.348,0.59,1.0,0.5464670002056062,0.4395346446439586,0.2534010691522171,0.18603077239394147,0.3563583715989308
EOS-2-13860,COCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)cn1,KFMBUXZDLPEJMN-UHFFFAOYSA-N,2,1,0.455,87,304,460.473,2.852,5,0.331,0.69,1.0,0.37714173120416694,0.36482249331779865,0.25663936673291754,0.22033273935987938,0.3047340826536906
EOS-2-13861,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(OC)n4)n23)cn1,XHDRSRKMFJOGGI-UHFFFAOYSA-N,2,1,0.456,26,579,460.473,3.234,5,0.348,0.64,1.0,0.5104259475018847,0.45261633883901037,0.2280943732437804,0.1344236172983346,0.33139006922075254
EOS-2-13862,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc(OC)n1,OSJBWNVTGVYPRQ-UHFFFAOYSA-N,2,1,0.49,26,624,460.473,3.234,5,0.348,0.7,1.0,0.4704612432321294,0.3116475909807416,0.344647385374546,0.22608971283668014,0.3382114831060243
EOS-2-13863,COCCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,CQWKAMNWNCTAHT-UHFFFAOYSA-N,2,1,0.42,18,711,460.473,2.852,5,0.331,0.69,1.0,0.26229353711191833,0.11773524775546569,0.33009218011102737,0.27340483859913645,0.24588145089438695
EOS-2-13864,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(OC)cn4)n23)nc1F,ICUYOWBLNGPGOF-UHFFFAOYSA-N,2,1,0.441,31,814,460.473,3.234,5,0.325,0.59,0.959,0.4237800699061065,0.34581248714961277,0.2862894935234048,0.17503940785415667,0.30773036460832015
EOS-2-13865,COCCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)c1,BTQLUJLJBUUZGT-UHFFFAOYSA-N,2,1,0.456,65,579,460.473,2.852,5,0.331,0.67,0.964,0.4262901788773902,0.4172606401206223,0.22105236104447948,0.18898636145569186,0.313397385374546
EOS-2-13866,COc1cc(-c2nnc3cncc(OCCc4cncs4)n23)sc1-c1cncn1C,PYPPZRBYPNHNQO-UHFFFAOYSA-N,2,1,0.422,31,569,439.526,3.34,5,0.384,0.64,0.64,0.17987972037557398,0.01688540881365225,0.07211637310670961,0.04429956822698924,0.07829526763073126
EOS-2-13867,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5F)n4)n23)nc1,ZLBKGTUDYRRWJR-UHFFFAOYSA-N,2,1,0.321,30,737,460.476,4.82,6,0.372,0.78,0.986,0.21885922829141252,0.3602391885408814,0.5780789527791104,0.6555667877458707,0.4531860393393188
EOS-2-13868,Cc1ncc(-c2ncc(F)cn2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,DNPDNYRQWIPGLT-UHFFFAOYSA-N,2,1,0.322,42,945,460.476,4.82,6,0.372,0.69,1.0,0.35628126927558085,0.3458210540744294,0.5518555959152902,0.5655969433212255,0.45488871564663147
EOS-2-13869,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)ccc1F,QTSHVLARJRVDOS-UHFFFAOYSA-N,2,1,0.321,38,479,460.476,4.82,6,0.372,0.67,1.0,0.3449729285175793,0.42167260640120624,0.6156963196490988,0.5846069494894113,0.4917372010143239
EOS-2-13870,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cncc(F)c6)c5)n34)cc2)n1,RSRYRTLUXBTNHZ-UHFFFAOYSA-N,2,1,0.301,42,106,460.476,4.82,6,0.372,0.73,1.0,0.32536323761222674,0.40319374957165377,0.7441402234253992,0.7342025906380646,0.5517249503118361
EOS-2-13871,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccc6F)cc5)n34)nc2)n1,NUHZMIKMTPRSMB-UHFFFAOYSA-N,2,1,0.329,32,983,460.476,4.82,6,0.372,0.69,1.0,0.3131211020492084,0.39343602220546914,0.6395295044890686,0.6294205332054006,0.49387679048728667
EOS-2-13872,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5F)n34)cc2)cn1,WFKLOHGWVZSOHV-UHFFFAOYSA-N,2,1,0.342,42,171,460.476,4.82,6,0.372,0.72,1.0,0.36555924885203206,0.46164587759577824,0.8108594338976081,0.7774227263381537,0.603871821670893
EOS-2-13873,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)c(F)c5)n34)cc2)cn1,FGPDFXBAOKQESA-UHFFFAOYSA-N,2,1,0.313,9,38,460.476,4.82,6,0.372,0.72,1.0,0.3771502981289836,0.43533685148379136,0.7603745459529847,0.7370382427523816,0.5774749845795353
EOS-2-13874,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cn5)n34)cc2)n1,PDHTYSDVNKAWDM-UHFFFAOYSA-N,2,1,0.325,38,818,460.476,4.82,6,0.348,0.73,1.0,0.25668220135700087,0.3746230553080666,0.7078678637516277,0.6819871838804743,0.5052900760742923
EOS-2-13875,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cc2)n1,PUQYCEICHJRPGI-UHFFFAOYSA-N,2,1,0.342,9,867,460.476,4.82,6,0.372,0.65,1.0,0.35395963265026387,0.3839610033582345,0.6395380714138853,0.615173737235282,0.49815811116441644
EOS-2-13876,Cc1ncnc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3ccc(-c4ccccn4)cn3)n12,DXGVDXBIVIBOMW-UHFFFAOYSA-N,2,1,0.34,32,20,460.476,4.82,6,0.372,0.75,1.0,0.22985915975601398,0.37463162223288327,0.5182646837091358,0.57514906449181,0.4244761325474608
EOS-2-13877,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)cc2)nn1,XOIYRRVXFZDVTO-UHFFFAOYSA-N,2,1,0.321,69,152,460.476,4.82,6,0.372,0.8,1.0,0.21333356178466178,0.2914810499623055,0.6539390720307039,0.6935182646837091,0.46306798711534514
EOS-2-13878,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6F)cn5)n34)cc2)nn1,AQLYIZMXZKOOQZ-UHFFFAOYSA-N,2,1,0.312,38,787,460.476,4.82,6,0.372,0.67,1.0,0.32279316016722637,0.3746401891577,0.7078764306764443,0.6961483106024261,0.5253645226509491
EOS-2-13879,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5F)n34)cc2)n1,CZQXSRJSQFLUJA-UHFFFAOYSA-N,2,1,0.318,9,152,460.476,4.82,6,0.372,0.65,1.0,0.3131296689740251,0.3983191693509698,0.7558083750257008,0.742238366116099,0.5523738948666986
EOS-2-13880,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(-c6cncnc6)cn5)n34)cc2)n1,ZPFKXAOYEJHROB-UHFFFAOYSA-N,2,1,0.311,32,170,460.476,4.82,6,0.372,0.67,0.999,0.3076468370913577,0.36985127818518265,0.7388972654375985,0.7129394832430951,0.5323337159893085
EOS-2-13881,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)nc2)cn1,IWZYOHVRQCNSKT-UHFFFAOYSA-N,2,1,0.351,32,20,460.476,4.82,6,0.372,0.77,1.0,0.2863494619971215,0.42611027345624014,0.7028904804331437,0.6904084709752587,0.526439671715441
EOS-2-13882,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncc(F)cn6)c5)n34)cc2)cn1,XMOHIHHAFZWVDR-UHFFFAOYSA-N,2,1,0.342,9,867,460.476,4.82,6,0.372,0.72,1.0,0.3516636967993969,0.35045576040024673,0.6301572887396341,0.6057758207113975,0.4845131416626688
EOS-2-13883,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cc2)cc1F,DNRKLOGORVTIQT-UHFFFAOYSA-N,2,1,0.305,9,645,460.476,4.82,6,0.372,0.55,1.0,0.302506682201357,0.34582962099924613,0.7260982797614968,0.7208810225481461,0.5238289013775614
EOS-2-13884,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)ccc1F,KNSCKJCPEQWDOV-UHFFFAOYSA-N,2,1,0.299,32,170,460.476,4.82,6,0.372,0.7,1.0,0.25418922623535056,0.39832773627578644,0.7857497772599548,0.7654547323692688,0.5509303680350901
EOS-2-13885,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6F)nc5)n34)nc2)cn1,KWTVFANBVYFSSI-UHFFFAOYSA-N,2,1,0.375,32,20,460.476,4.82,6,0.348,0.72,1.0,0.29480501679117266,0.3793605647316839,0.6977160578438764,0.6583424713864711,0.507556027688301
EOS-2-13886,CN(C)c1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)c1,SDIRAJARRCARCD-UHFFFAOYSA-N,2,1,0.63,91,309,439.523,3.879,5,0.383,0.77,1.0,0.49037077650606536,0.26522342539921867,0.5349444863271879,0.282494345829621,0.39325825851552326
EOS-2-13887,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)cc1,RFPGZOJXKILRSM-UHFFFAOYSA-N,2,1,0.378,21,452,439.522,6.496,6,0.315,0.86,1.0,0.19389520937564253,0.17805496538962373,0.8818792406277842,0.8887584812555686,0.5356469741621548
EOS-2-13888,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cn1,IEMCIUXVSGSNRD-UHFFFAOYSA-N,2,1,0.385,21,810,439.522,6.496,6,0.315,0.87,1.0,0.20512644781029402,0.16158076896717155,0.8947895963265027,0.8941813446645193,0.5389195394421219
EOS-2-13889,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cc1,IUBYKZGBKIHDMV-UHFFFAOYSA-N,2,1,0.373,21,810,439.522,6.496,6,0.315,0.86,1.0,0.19390377630045919,0.19067404564457544,0.8841580426290179,0.8873963402097184,0.5390330511959427
EOS-2-13890,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cc2)cc1,PXKIAAREPNESDE-UHFFFAOYSA-N,2,1,0.341,21,810,439.522,6.496,6,0.315,0.86,1.0,0.17132136248372284,0.16929956822698924,0.8766191487903502,0.8846206565691179,0.525465184017545
EOS-2-13891,N#Cc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)s1,KDGOHJFPVFCCLV-UHFFFAOYSA-N,2,1,0.306,38,608,460.486,3.7,6,0.386,0.66,1.0,0.17988828730039066,0.2757350421492701,0.27110033582345283,0.30371461860050714,0.2576095709684052
EOS-2-13892,CC(C)n1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1,FWXZSLLIDHDCDI-UHFFFAOYSA-N,2,1,0.578,91,742,460.488,5.135,5,0.337,0.72,1.0,0.8657562881228155,0.6919590843670756,0.8983106024261531,0.8234442464532932,0.8198675553423344
EOS-2-13893,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccs5)n4C)n23)cc1,XHENIBVMYSMJLR-UHFFFAOYSA-N,2,1,0.329,8,42,439.508,3.716,6,0.416,0.66,1.0,0.1110273456240148,0.09574395175107943,0.07212494003152628,0.10114111438558016,0.09500933794805017
EOS-2-13894,Cc1csc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cn2)n1,OUCASDRXCYSCPC-UHFFFAOYSA-N,2,1,0.311,98,42,439.508,3.809,6,0.415,0.67,1.0,0.016602700294702212,0.07590295387567679,0.15429031594818723,0.13655678157768486,0.09583818792406278
EOS-2-13895,Cc1nsc(COc2cncc3nnc(-c4cc(-c5cnc(CF)s5)n(C)n4)n23)c1F,GUIRVIYZGZCFCP-UHFFFAOYSA-N,2,1,0.43,31,694,460.495,3.601,5,0.382,0.58,0.995,0.2596206565691179,0.2551658556644507,0.03916798026180522,0.04430813515180591,0.14956565691179494
EOS-2-13896,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)s2)n1C,QWVAZTBOQRMEEY-UHFFFAOYSA-N,2,1,0.311,38,193,439.504,4.884,6,0.389,0.68,1.0,0.09847680076759646,0.10188643684463025,0.18969741621547528,0.23812624220409842,0.1570467240079501
EOS-2-13897,c1ccc(-c2cccc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)cc1,YYHWBJZZWVEVAZ-UHFFFAOYSA-N,2,1,0.676,12,47,460.497,5.13,6,0.326,0.74,1.0,0.8840723733808512,0.6479079569597698,0.6732831882667397,0.6526626002330204,0.7144815297100953
EOS-2-13898,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)cc1,BMNWZYQJKJBYIO-UHFFFAOYSA-N,2,1,0.704,21,47,460.497,5.13,6,0.326,0.75,1.0,0.8477828798574464,0.7160664108011788,0.6840860804605579,0.6583510383112878,0.7265716023576176
EOS-2-13899,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)cc5)n34)cc2)o1,PNGAFBMIYCEZJP-UHFFFAOYSA-N,2,1,0.57,12,47,460.497,5.396,6,0.329,0.8,1.0,0.6994894112809266,0.492341169213899,0.6484476732232198,0.6057843876362141,0.6115156603385649
EOS-2-13900,COc1ccccc1COc1cncc2nnc(-c3ccc(-c4cc5ccccc5nn4)cc3)n12,OMTFVBWJXMYUFR-UHFFFAOYSA-N,2,1,0.484,12,897,460.497,4.989,6,0.346,0.58,1.0,0.630105887190734,0.49234973613871563,0.7103522719484614,0.6324703584401343,0.6163195634295113
EOS-2-13901,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,NLNREEZYAAKUIY-UHFFFAOYSA-N,2,1,0.494,12,285,460.497,5.396,6,0.329,0.69,1.0,0.5335994791309712,0.4305822082105407,0.5417723254060722,0.5330854636419711,0.5097598690973888
EOS-2-13902,COc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4cncc(C)n4)o3)n12,LFWBPYUECOQHIM-UHFFFAOYSA-N,2,1,0.365,30,126,460.497,5.492,6,0.336,0.7,1.0,0.26755362894935236,0.08627749982866151,0.6301658556644507,0.5559505859776575,0.3849868926050305
EOS-2-13903,Cc1noc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)n1,XKJBUQGGZUFLPF-UHFFFAOYSA-N,2,1,0.556,12,47,460.497,5.396,6,0.329,0.81,1.0,0.6189774518538825,0.4658693715303954,0.6245288191350833,0.5938335275169625,0.5758022925090809
EOS-2-13904,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)c5)n34)cc2)o1,VMPMBTNDQJELKO-UHFFFAOYSA-N,2,1,0.549,12,47,460.497,5.396,6,0.329,0.76,1.0,0.6389383866767185,0.4832002604345144,0.6362483722842849,0.5995905009937633,0.5894943800973202
EOS-2-13905,Cc1nsc(COc2cncc3nnc(-c4ccc(F)c(-c5csc(C)n5)c4)n23)n1,IBEHTHCEUDCUQC-UHFFFAOYSA-N,2,1,0.483,4,677,439.501,4.101,5,0.407,0.74,1.0,0.4952367898019327,0.642587896648619,0.1422709204304023,0.15125762456308683,0.3578383078610102
EOS-2-13906,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccn5)n4)n23)cc1,JVXPZYILMGWHIP-UHFFFAOYSA-N,2,1,0.528,28,120,460.501,4.228,6,0.367,0.71,1.0,0.4631279555890617,0.24999143307518334,0.4729113837296964,0.39585189500376944,0.3954706668494277
EOS-2-13907,Cn1ncnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,JIODZIPCBXWKGT-UHFFFAOYSA-N,2,1,0.494,77,363,460.501,4.228,6,0.367,0.71,1.0,0.4731084230004797,0.2652319923240354,0.44468336645877593,0.4179973956548557,0.40025529435953666
EOS-2-13908,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cc4)n23)cc1,IGHFXURDZYLUSH-UHFFFAOYSA-N,2,1,0.531,77,190,460.501,4.228,6,0.367,0.79,1.0,0.5816342265780275,0.26524055924885204,0.5616647248303749,0.5193526831608526,0.48197304845452676
EOS-2-13909,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)cn1,HVFOCBOMESUUTR-UHFFFAOYSA-N,2,1,0.494,41,285,460.501,4.228,6,0.367,0.77,1.0,0.4977468987732164,0.3648310602426153,0.5075902953875677,0.46538962374066206,0.45888946953601534
EOS-2-13910,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cn1,CSMSQVVGDMZRNJ-UHFFFAOYSA-N,2,1,0.46,12,285,460.501,4.228,6,0.367,0.75,1.0,0.4540127475841272,0.3504643273250634,0.44815297100952645,0.4214670002056062,0.4185242615310808
EOS-2-13911,Cn1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c(-c2ccccc2)n1,VWLUWIDXEJXVCZ-UHFFFAOYSA-N,2,1,0.477,77,323,460.501,4.228,6,0.367,0.69,1.0,0.41019292714687133,0.2652491261736687,0.437332944966075,0.4117521074635049,0.38113177643753
EOS-2-13912,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)c2)n1,NFQVHQUIGODCNL-UHFFFAOYSA-N,2,1,0.435,28,177,460.501,4.228,6,0.367,0.79,1.0,0.3928620382427524,0.18657048865739154,0.5518641628401069,0.4838256459461312,0.4037805839215955
EOS-2-13913,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cn1,UNZAJAFSEFBXQT-UHFFFAOYSA-N,2,1,0.529,40,120,460.501,4.228,6,0.367,0.77,1.0,0.4879377698581317,0.2599976012610513,0.5652114317044754,0.4716691796312796,0.44620399561373447
EOS-2-13914,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)cc1,SEETZSAASHTGKW-UHFFFAOYSA-N,2,1,0.554,12,285,460.501,4.228,6,0.367,0.74,1.0,0.4607206497155781,0.24515112055376603,0.46235693235556163,0.4399972585840587,0.4020564903022411
EOS-2-13915,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)nn2)cn1,PRFIDFBWCHQUAZ-UHFFFAOYSA-N,2,1,0.422,77,897,460.501,4.228,6,0.367,0.73,0.992,0.41231752450140496,0.17806353231444041,0.47291995065451303,0.47167774655609623,0.38374468850661364
EOS-2-13916,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)cc2)cn1,MAJIDYHTNMSCAY-UHFFFAOYSA-N,2,1,0.325,42,762,460.501,4.324,6,0.378,0.76,1.0,0.22986772668083064,0.1387327804811185,0.5039065177164005,0.3928963059420191,0.3163508327050922
EOS-2-13917,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccncc5)n4)n23)cc1,OFHQAHJLKQHAJG-UHFFFAOYSA-N,2,1,0.506,40,667,460.501,4.228,6,0.367,0.7,1.0,0.44439209101500926,0.24008806798711535,0.5485230621616065,0.4653981906654787,0.4246003529573024
EOS-2-13918,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cn1,UMAKZYYPGMYXGU-UHFFFAOYSA-N,2,1,0.46,12,285,460.501,4.228,6,0.367,0.76,1.0,0.4192224659036392,0.31678774587074227,0.5004026454663834,0.4716863134809129,0.4270247926804194
EOS-2-13919,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nc5)n34)cc2)cn1,AGFOLHIGUDQTPC-UHFFFAOYSA-N,2,1,0.523,40,78,460.501,4.228,6,0.367,0.79,1.0,0.5287848673840039,0.2914896168871222,0.6245373860599,0.5225567130422863,0.4918421458433281
EOS-2-13920,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6ccnc6)cn5)n34)cc2)nc1,JCNDYXILZCVMFH-UHFFFAOYSA-N,2,1,0.538,40,120,460.501,4.056,6,0.355,0.72,1.0,0.6904170379000754,0.3934445891302858,0.4868069357823316,0.4307535467068741,0.5003555273798918
EOS-2-13921,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,VGTFVHYUDKTNKD-UHFFFAOYSA-N,2,1,0.337,9,642,460.501,4.324,6,0.378,0.73,1.0,0.17403707765060653,0.026874443149886917,0.49341203481598245,0.42440545541772323,0.27968225275854974
EOS-2-13922,COc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnc(C)cn6)cc5)n34)cn2)c1,WVIWIXZBPWFGLH-UHFFFAOYSA-N,2,1,0.348,42,150,460.501,4.418,6,0.376,0.69,1.0,0.06403776300459187,0.0957525186758961,0.5719450346103763,0.45591460489342744,0.2969124802960729
EOS-2-13923,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)cn1,KOHBUHBDQAEZLH-UHFFFAOYSA-N,2,1,0.568,41,25,460.501,4.228,6,0.367,0.73,1.0,0.395140840243986,0.28610102117743813,0.6245459529847166,0.5361438558015215,0.46048291755191556
EOS-2-13924,COc1ncccc1-c1ccc(-c2cncc3nnc(-c4c(-c5ccccc5)ncn4C)n23)cn1,XGXGVUUGPKCDBS-UHFFFAOYSA-N,2,1,0.291,30,945,460.501,4.324,6,0.378,0.67,0.899,0.12187307244191625,0.057081420053457614,0.2862980604482215,0.2586354602152012,0.18097200328969915
EOS-2-13925,COc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)c1,WBHNLCKOMTXXCZ-UHFFFAOYSA-N,2,1,0.33,32,371,460.501,4.324,6,0.378,0.67,1.0,0.14656294976355289,0.10856863820163114,0.47292851757932974,0.39290487286683573,0.2802412446028374
EOS-2-13926,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,GGMWIIWRLPDPKR-UHFFFAOYSA-N,2,1,0.364,9,774,460.501,4.324,6,0.378,0.67,1.0,0.12759577821945034,0.032588582002604345,0.5652199986292921,0.4897196902199986,0.3037810122678364
EOS-2-13927,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)n1,ZUNDLJQYHGHQMI-UHFFFAOYSA-N,2,1,0.512,28,363,460.501,4.228,6,0.367,0.68,1.0,0.4829518196148311,0.25517442258926737,0.4623654992803783,0.4020971831951203,0.40064723116989925
EOS-2-13928,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cn1,ZPFCXPJYQITEAA-UHFFFAOYSA-N,2,1,0.477,12,285,460.501,4.228,6,0.367,0.71,1.0,0.4350027414159413,0.3167963127955589,0.5109742306901515,0.46858508669727916,0.43283959289973273
EOS-2-13929,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)cc2)n1,CGTQKWZNFUMVMB-UHFFFAOYSA-N,2,1,0.528,81,609,460.501,4.228,6,0.367,0.64,1.0,0.40351072578987046,0.28060962236995407,0.43359776574600783,0.3610787471729148,0.3696992152696868
EOS-2-13930,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,GYLWSFKHRSNFMA-UHFFFAOYSA-N,2,1,0.524,77,755,460.501,4.228,6,0.367,0.77,1.0,0.632941539305051,0.28610958810225484,0.5075988623123844,0.462374066205195,0.4722560139812213
EOS-2-13931,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,WXWLNDQXBZKTOH-UHFFFAOYSA-N,2,1,0.544,41,190,460.501,4.228,6,0.367,0.71,1.0,0.5593516551298746,0.32621136316907684,0.7130337194160784,0.6237063943526832,0.5555757830169282
EOS-2-13932,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,GPTNCVAEWWLUMJ-UHFFFAOYSA-N,2,1,0.467,12,285,460.501,4.228,6,0.367,0.75,1.0,0.4192310328284559,0.37464875608251663,0.40454732369268726,0.4117606743883216,0.40254694674799535
EOS-2-13933,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccccc6)n5)n34)cc2)n1,SOXLFMNOXBHHEY-UHFFFAOYSA-N,2,1,0.449,77,285,460.501,4.228,6,0.367,0.68,1.0,0.44688506613665957,0.29653553560413953,0.4481615379343431,0.404967103008704,0.3991373106709616
EOS-2-13934,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nc5)n34)cc2)n1,VEARPBJCUFFFPW-UHFFFAOYSA-N,2,1,0.517,40,2,460.501,4.228,6,0.367,0.77,1.0,0.5679785484202591,0.2861181550270715,0.5683897608114591,0.4685936536220958,0.4727700294702214
EOS-2-13935,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cn5)n34)cc2)cn1,ZVRZVNPTDPUETI-UHFFFAOYSA-N,2,1,0.575,41,25,460.501,4.228,6,0.367,0.7,1.0,0.3951494071688027,0.30137584812555684,0.6245545199095333,0.5330940305667877,0.4635434514426701
EOS-2-13936,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)c2)cn1,BNBQMSHLAKWYOA-UHFFFAOYSA-N,2,1,0.5,77,323,460.501,4.228,6,0.367,0.74,1.0,0.5516071550956069,0.3357806181892948,0.642562195874169,0.5656055102460421,0.5238888698512781
EOS-2-13937,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)cc1,VVPPYDIUFXNYDS-UHFFFAOYSA-N,2,1,0.315,38,787,460.501,4.324,6,0.378,0.62,1.0,0.14394147076965252,0.11178123500788158,0.5109827976149681,0.3958604619285861,0.29064149133027206
EOS-2-13938,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)cc1,IGUFJLJLHYTDOV-UHFFFAOYSA-N,2,1,0.5,77,755,460.501,4.228,6,0.367,0.69,1.0,0.5789784798848605,0.2965441025289562,0.4112295250496882,0.3929134397916524,0.4199163868137893
EOS-2-13939,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,RUBLDMVWPAGMQW-UHFFFAOYSA-N,2,1,0.635,12,285,460.501,4.228,6,0.367,0.8,1.0,0.6506408059762867,0.3746573230073333,0.4729370845041464,0.49883489822493315,0.49926752792817486
EOS-2-13940,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cc2)cn1,AITKMGZZTWTRLF-UHFFFAOYSA-N,2,1,0.524,40,190,460.501,4.228,6,0.367,0.72,1.0,0.5412069083681722,0.3217479953395929,0.6650589404427387,0.5689209101500925,0.5242336885751491
EOS-2-13941,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)cc1,WZIFSFOWHTULAK-UHFFFAOYSA-N,2,1,0.59,12,285,460.501,4.228,6,0.367,0.75,1.0,0.6020834761154136,0.35539030909464736,0.43734151189089165,0.47169488040572954,0.46662754437667053
EOS-2-13942,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)cc2)n1,NKQNERKDCQZEOU-UHFFFAOYSA-N,2,1,0.506,40,25,460.501,4.228,6,0.367,0.64,1.0,0.4056181892947707,0.3013844150503735,0.4934206017407991,0.4148790350215886,0.403825560276883
EOS-2-13943,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccccn5)c4)n23)cc1,LVVDZTRRCHKQHJ-UHFFFAOYSA-N,2,1,0.483,28,120,460.501,4.228,6,0.367,0.68,1.0,0.5991707216777465,0.2965526694537729,0.555368035090124,0.4654067575902954,0.4791245459529847
EOS-2-13944,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nn1,YKYNKPHCMVBSPS-UHFFFAOYSA-N,2,1,0.483,12,285,460.501,4.321,6,0.365,0.69,1.0,0.3425656226440957,0.31165615790555823,0.39744534301966966,0.3833527516962511,0.3587549688163937
EOS-2-13945,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)cn1,QYALYUHXYURLJJ-UHFFFAOYSA-N,2,1,0.478,40,78,460.501,4.228,6,0.367,0.76,1.0,0.5439140566102392,0.26525769309848535,0.6186347748612158,0.5294616544445206,0.48931704475361526
EOS-2-13946,COc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(C)nn6)cc5)n34)cn2)cc1,YYXTWGGBLTVDBQ-UHFFFAOYSA-N,2,1,0.395,3,668,460.501,4.418,6,0.376,0.73,1.0,0.04565314234802276,0.07591152080049346,0.5751576314166267,0.46238263313001166,0.28977623192378865
EOS-2-13947,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)cc2)cn1,SJLXLHTZXVUWAE-UHFFFAOYSA-N,2,1,0.511,40,25,460.501,4.228,6,0.367,0.72,1.0,0.38850147351106845,0.3116647248303749,0.5553766020149408,0.4686022205469125,0.4310362552258241
EOS-2-13948,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)nn1,HBECLAWURYXZHM-UHFFFAOYSA-N,2,1,0.506,77,427,460.501,4.228,6,0.367,0.74,1.0,0.46797683503529575,0.28612672195188815,0.5314406140771709,0.48383421287094786,0.4423445959838257
EOS-2-13949,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,HQFJQQUNSYMJAL-UHFFFAOYSA-N,2,1,0.477,12,285,460.501,4.228,6,0.367,0.73,0.998,0.4168237269549722,0.4077941881982044,0.18970598314029197,0.24958022068398328,0.31597602974436295
EOS-2-13950,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)cc1,OBUCVLHPHDGFIQ-UHFFFAOYSA-N,2,1,0.537,77,755,460.501,4.228,6,0.367,0.78,1.0,0.5816427935028442,0.2861352888767048,0.507607429237201,0.4623912000548283,0.45944417791789455
EOS-2-13951,Cn1nncc1-c1cnccc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,JDDSZUGUSLOIPD-UHFFFAOYSA-N,2,1,0.483,12,285,460.501,4.228,6,0.367,0.69,1.0,0.48296038653964773,0.29149818381193887,0.5349530532520047,0.5294702213693373,0.4597204612432322
EOS-2-13952,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)cc2)cn1,TYVNJWYDDDDRQL-UHFFFAOYSA-N,2,1,0.534,28,609,460.501,4.228,6,0.367,0.7,1.0,0.38851004043588516,0.2806181892947707,0.4934291686656158,0.41176924131313825,0.39358165992735245
EOS-2-13953,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)cc5)n34)cc2)cn1,HRISLNJXUFSBQB-UHFFFAOYSA-N,2,1,0.512,77,190,460.501,4.228,6,0.367,0.69,1.0,0.5789870468096772,0.35047289424988004,0.6539476389555205,0.5689294770749092,0.5380842642724968
EOS-2-13954,CCn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cn1,OSZXGKHTHGQTCL-UHFFFAOYSA-N,2,1,0.42,28,363,460.501,4.924,6,0.348,0.69,1.0,0.2518333219107669,0.2192618737577959,0.44110239188540884,0.39292200671646904,0.3262798985676102
EOS-2-13955,Cn1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1-c1ccccc1,YSAUUFTWDGGIFO-UHFFFAOYSA-N,2,1,0.461,12,285,460.501,4.228,6,0.367,0.7,1.0,0.39287060516756905,0.28062675621958744,0.22106092796929613,0.25585120964978414,0.28760237475155914
EOS-2-13956,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)nc2)n[nH]1,CIHAGCYKTMRXJY-UHFFFAOYSA-N,2,1,0.388,28,363,460.501,4.526,6,0.389,0.67,0.452,0.3816307998081009,0.3309317387430608,0.415050373517922,0.3772359673771503,0.3762122198615585
EOS-2-13957,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cc2)n1,FDCVWERREBWWDX-UHFFFAOYSA-N,2,1,0.506,77,323,460.501,4.228,6,0.367,0.74,1.0,0.5679871153450757,0.35539887601946407,0.5844527448427113,0.5026643136179837,0.5026257624563087
EOS-2-13958,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,WGDNOPILGDTOAU-UHFFFAOYSA-N,2,1,0.61,12,285,460.501,4.228,6,0.367,0.77,1.0,0.5991792886025632,0.37466588993214994,0.4554948255774107,0.4867212665341649,0.4790153176615722
EOS-2-13959,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,LMLMRHPBVVTDCW-UHFFFAOYSA-N,2,1,0.512,77,755,460.501,4.228,6,0.367,0.73,1.0,0.5936107874717291,0.2915067507367555,0.48681550270714824,0.44960934822835996,0.45538559728599826
EOS-2-13960,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)cc1,LZUWFAWYACGYFW-UHFFFAOYSA-N,2,1,0.446,25,228,460.501,4.324,6,0.378,0.81,1.0,0.12188163936673292,0.11178980193269823,0.5182732506339525,0.5026728805428003,0.31365439311904597
EOS-2-13961,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-n5cccn5)n34)cc2)cn1,DWFGCBMPGONDOV-UHFFFAOYSA-N,2,1,0.483,77,190,460.501,4.321,6,0.365,0.73,1.0,0.49524535672674935,0.26526626002330206,0.5417808923308889,0.4496179151531766,0.4379776060585292
EOS-2-13962,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)cc2)cn1,DINDBNATNVZIEL-UHFFFAOYSA-N,2,1,0.53,41,190,460.501,4.228,6,0.367,0.67,1.0,0.5260348845178535,0.3217565622644096,0.7003375368377767,0.6179237201014324,0.5415131759303681
EOS-2-13963,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)n1,HYUUFKDJSWIYIA-UHFFFAOYSA-N,2,1,0.367,41,363,460.501,4.75,6,0.366,0.79,1.0,0.3928791720923857,0.21428449043931191,0.37514563772188336,0.3163679665547255,0.3246693167020766
EOS-2-13964,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nn1,LWJANDJRMRNQRA-UHFFFAOYSA-N,2,1,0.494,12,285,460.501,4.228,6,0.367,0.76,1.0,0.305239531217874,0.28614385580152146,0.41123809197450484,0.41488760194640534,0.3543772702350764
EOS-2-13965,Cn1cnc(-c2cncnc2)c1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,INIGWOANSWQETI-UHFFFAOYSA-N,2,1,0.46,12,285,460.501,4.228,6,0.367,0.68,1.0,0.49286375162771573,0.3793691316565006,0.44817010485915976,0.44000582550887535,0.44010220341306283
EOS-2-13966,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)n1C,YRIYFQFHXJTFRH-UHFFFAOYSA-N,2,1,0.427,12,285,460.501,4.75,6,0.366,0.72,1.0,0.3863597423069015,0.3013929819751902,0.3191693509697759,0.3254489068603934,0.3330927455280653
EOS-2-13967,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)c5)n34)nc2)cn1,SWINIEQFNLCVMZ-UHFFFAOYSA-N,2,1,0.435,41,78,460.501,4.228,6,0.367,0.77,1.0,0.4123260914262216,0.17384860530463986,0.6125865259406483,0.5460557878144061,0.436204252621479
EOS-2-13968,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4ccc(CO)nc4)cn3)n12,SGEZEGZZQIFNHM-UHFFFAOYSA-N,2,1,0.26,30,301,460.501,3.808,6,0.417,0.62,0.96,0.11103591254883147,0.04944829004180659,0.3751542046467,0.38653964772805155,0.23054451374134743
EOS-2-13969,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,COQVIVAMFGMAPD-UHFFFAOYSA-N,2,1,0.377,9,867,460.501,4.324,6,0.378,0.67,1.0,0.2271691453635803,0.018487423754369132,0.4968388047426496,0.3802515249126174,0.28068672469330413
EOS-2-13970,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5cccnc5)n34)cn2)c1,WAHCCUQZFXAVBZ-UHFFFAOYSA-N,2,1,0.435,28,363,460.501,4.228,6,0.367,0.69,1.0,0.5936193543965458,0.39345315605510245,0.5417894592557055,0.48062161606469744,0.5023708964430128
EOS-2-13971,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)nn1,LZDAQCCPQUTZCN-UHFFFAOYSA-N,2,1,0.541,12,285,460.501,4.228,6,0.367,0.76,1.0,0.3204201219930094,0.2806353231444041,0.5004112123912,0.47467617024193,0.3940357069426359
EOS-2-13972,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccncc6)n5)n34)cc2)n1,MUEUEELKCPXAOF-UHFFFAOYSA-N,2,1,0.506,81,667,460.501,4.228,6,0.367,0.63,1.0,0.38408094030566786,0.2652748269481187,0.5109913645397848,0.4277208553217737,0.3970169967788363
EOS-2-13973,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)n1,DXXWKMWZRWHDMW-UHFFFAOYSA-N,2,1,0.57,40,120,460.501,4.228,6,0.367,0.66,1.0,0.3678209170036324,0.2757436090740868,0.5076159961620177,0.42441402234253994,0.3938986361455692
EOS-2-13974,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)c5)n34)cc2)cc1,IBJPYCNEVXAHCY-UHFFFAOYSA-N,2,1,0.44,93,228,460.501,4.324,6,0.378,0.77,1.0,0.17989685422520732,0.1314080597628675,0.5213316427935029,0.4838427797957645,0.32911983414433554
EOS-2-13975,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)n4)n23)cc1,NHVGGBUWLVRGDI-UHFFFAOYSA-N,2,1,0.5,12,285,460.501,4.228,6,0.367,0.75,1.0,0.4879463367829484,0.27575217599890345,0.3936330614762525,0.37395483517236655,0.3828216023576177
EOS-2-13976,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4)n23)cc1,NJQZOTXLPAVIJL-UHFFFAOYSA-N,2,1,0.524,40,190,460.501,4.228,6,0.367,0.71,1.0,0.6785004454800905,0.2861524227263382,0.5844613117675279,0.48385134672058117,0.5082413816736344
EOS-2-13977,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)c2)nn1,RWECKULVJZRIPQ-UHFFFAOYSA-N,2,1,0.5,77,190,460.501,4.228,6,0.367,0.71,1.0,0.4829689534644644,0.2757607429237201,0.5844698786923446,0.5431087656774725,0.47157708518950037
EOS-2-13978,Cn1cnc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,LMXABSUMYCDFLR-UHFFFAOYSA-N,2,1,0.462,28,363,460.501,4.228,6,0.367,0.68,1.0,0.42629874580220684,0.3064988691659242,0.31162189020629155,0.29744362963470633,0.3354657837022822
EOS-2-13979,Cn1nc(-c2ccccn2)cc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,BXPFJFCDYAFFDG-UHFFFAOYSA-N,2,1,0.506,28,120,460.501,4.228,6,0.367,0.66,1.0,0.38636830923171817,0.3262199300938935,0.367366869988349,0.33524946885066137,0.35380114454115547
EOS-2-13980,Cn1nc(-c2ccc(=O)n(C)n2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,RMIOZFQFOAAHKE-UHFFFAOYSA-N,2,1,0.342,93,74,460.501,3.62,6,0.399,0.66,0.977,0.13054280035638408,0.11774381468028236,0.30062195874169007,0.3512610513330135,0.2250424062778425
EOS-2-13981,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,IEEMWIUDRFLJOE-UHFFFAOYSA-N,2,1,0.478,40,2,460.501,4.228,6,0.367,0.63,1.0,0.5412154752929889,0.2245905009937633,0.5683983277362757,0.4838599136453978,0.4545160544171064
EOS-2-13982,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)cc5)n34)cc2)n1,GCHGGKXZSAVPBO-UHFFFAOYSA-N,2,1,0.518,77,190,460.501,4.228,6,0.367,0.72,1.0,0.647693783839353,0.33094030566787747,0.545053457610856,0.44660235761770956,0.49257247618394906
EOS-2-13983,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nc5)n34)cc2)c1,NYKOECVVYBRLRN-UHFFFAOYSA-N,2,1,0.535,40,2,460.501,4.228,6,0.367,0.74,1.0,0.6843944897539579,0.3458381879240628,0.5844784456171612,0.48386848057021453,0.5246449009663491
EOS-2-13984,Cc1ncn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)n1,GZTDPWJIRFTQEC-UHFFFAOYSA-N,2,1,0.529,12,285,460.501,4.321,6,0.365,0.73,1.0,0.310345418408608,0.27058632033445273,0.45882735933109453,0.4214755671304229,0.36530866630114456
EOS-2-13985,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccncc6)n5)n34)cc2)cn1,UOLMSZLALUIAGI-UHFFFAOYSA-N,2,1,0.506,40,25,460.501,4.228,6,0.367,0.69,1.0,0.3655678157768487,0.27576930984853676,0.5719536015351929,0.4806301829895141,0.4234802275375231
EOS-2-13986,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccc5)c4)n23)cc1,LDHBMNYZATWDOI-UHFFFAOYSA-N,2,1,0.53,12,285,460.501,4.228,6,0.367,0.72,1.0,0.6020920430402302,0.2451596874785827,0.5109999314646014,0.4867298334589816,0.461245373860599
EOS-2-13987,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cc2)cn1,HBVQGCQEMPAPDS-UHFFFAOYSA-N,2,1,0.5,77,323,460.501,4.228,6,0.367,0.75,1.0,0.5464755671304229,0.3554074429442807,0.639546638338702,0.562332944966075,0.5259406483448701
EOS-2-13988,COc1ncc(-c2nccn2C)cc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,QUQUOZYMKCAASR-UHFFFAOYSA-N,2,1,0.309,42,762,460.501,4.324,6,0.378,0.72,1.0,0.24342060174079913,0.08628606675347818,0.41505894044273867,0.3320026043451443,0.2691920533205401
EOS-2-13989,OCc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)s5)n34)c2)cs1,MWJULIVFTSOUKA-UHFFFAOYSA-N,2,1,0.506,4,31,439.497,4.187,5,0.427,0.74,1.0,0.5542029333150572,0.5660681241861422,0.5039150846412171,0.47761462545404704,0.5254501918991159
EOS-2-13990,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)nc5)n34)cn2)c(C)n1,MPBYTWQUYPOWMO-UHFFFAOYSA-N,2,1,0.291,70,899,460.505,3.723,6,0.391,0.62,1.0,0.06765300527722569,0.038516893975738466,0.2711089027482695,0.19167637584812555,0.1422387944623398
EOS-2-13991,CCn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(C)nn6)cc5)n34)nc2)n1,JQALWMOSMCADRA-UHFFFAOYSA-N,2,1,0.293,38,725,460.505,3.897,6,0.381,0.63,1.0,0.05701288465492427,0.06091083544650812,0.17364299910903983,0.14126859022685218,0.1082088273593311
EOS-2-13992,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnn(C)n6)cnc5C)n34)cc2)cn1,AYOKEBPPNZDMSV-UHFFFAOYSA-N,2,1,0.299,25,303,460.505,3.723,6,0.391,0.68,1.0,0.12189020629154959,0.07947536152422727,0.24975155918031663,0.22314269069974643,0.16856495442396
EOS-2-13993,Cc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cnc(C)nc6)cc5)n34)n(C)n2)cn1,BXZJKKCVMBFIQY-UHFFFAOYSA-N,2,1,0.321,42,303,460.505,3.723,6,0.391,0.76,1.0,0.07987800699061065,0.07948392844904394,0.15429888287300392,0.1323418545678843,0.11150066822013571
EOS-2-13994,CCn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(C)nc4-c4ccccc4)n23)nn1,JOOUWKKBYHBEOQ-UHFFFAOYSA-N,2,1,0.289,30,541,460.505,3.897,6,0.381,0.58,0.35,0.05184702899047358,0.057089986978274276,0.08568638201631143,0.11914022342539922,0.07844090535261462
EOS-2-13995,CCc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(F)cc5)nc4)n23)cc1,PGANUHADPKKOAP-UHFFFAOYSA-N,2,1,0.707,91,660,439.494,5.176,5,0.35,0.74,1.0,0.9817610170653143,0.9772976492358303,0.8219450346103763,0.7725738468919197,0.8883943869508601
EOS-2-13996,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(-c2ccc(F)cc2)n1,GUKIFJNLWYTNOI-UHFFFAOYSA-N,2,1,0.387,21,107,460.516,6.148,6,0.31,0.74,1.0,0.21067781509149475,0.4032023164964704,0.7766859708039202,0.8234528133781098,0.5535047289424988
EOS-2-13997,CCn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1-c1ccc(F)cc1,YJQNZAROBZTFAY-UHFFFAOYSA-N,2,1,0.382,21,107,460.516,6.148,6,0.31,0.79,1.0,0.19135939962990886,0.37937769858131726,0.7697638955520526,0.8295267630731272,0.5425069392091015
EOS-2-13998,Cc1nc(C)c(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)nc1C,VHKRZTYZLBTRDP-UHFFFAOYSA-N,2,1,0.489,7,658,439.483,2.98,5,0.393,0.69,1.0,0.432869577136591,0.25,0.036503666643821535,0.020980398876019463,0.185088410664108
EOS-2-13999,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nc1C1CC1,KFLYEMQOUCXHGL-UHFFFAOYSA-N,2,1,0.533,87,349,439.483,2.876,6,0.381,0.49,0.992,0.3794462339798506,0.1906826125693921,0.00821568089918443,0.017767802069769037,0.14902808237954904
EOS-2-14000,CCc1cncc(COc2cncc3nnc(-c4cc(-c5cnc(C)cn5)nc(C)n4)n23)c1,MCGANORVYVPTJM-UHFFFAOYSA-N,2,1,0.435,7,330,439.483,3.192,5,0.393,0.67,0.999,0.3863768761565349,0.11474539099444864,0.12451168528544994,0.06569117949420876,0.17283128298266057
EOS-2-14001,N#Cc1cccc(-c2n[nH]cc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,JJTUAIYJFHDLSZ-UHFFFAOYSA-N,2,1,0.345,21,810,439.482,5.387,6,0.397,0.81,1.0,0.1632427523816051,0.2705948872592694,0.8641885408813652,0.8887670481803852,0.5466983071756563
EOS-2-14002,C#Cn1cccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,SSVSLBDSSNHTOF-UHFFFAOYSA-N,2,1,0.308,69,479,439.482,4.823,6,0.368,0.62,1.0,0.10100404358851346,0.13504043588513467,0.7579586731546843,0.7314697416215475,0.43136822356247
EOS-2-14003,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)c1,JHKSKHBTJVMXSX-UHFFFAOYSA-N,2,1,0.349,93,68,439.482,5.183,6,0.378,0.75,1.0,0.028082379549037077,0.14993831814132,0.8672040984168323,0.8831899801247344,0.4821036940579809
EOS-2-14004,COc1cc(-c2nnc3cncc(OCc4scnc4C)n23)ccc1-c1cccnc1OC,FMUMKZOACGYIHU-UHFFFAOYSA-N,2,1,0.472,97,83,460.519,4.214,5,0.356,0.6,1.0,0.3771588650538003,0.2757778767733534,0.30449420875882394,0.14127715715166883,0.2746770269344116
EOS-2-14005,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(C)ns5)n34)cc2OC)cn1,MIVXZKUIRZUSBA-UHFFFAOYSA-N,2,1,0.566,97,83,460.519,4.214,5,0.356,0.63,1.0,0.3253718045370434,0.18657905558220822,0.3974539099444863,0.2029504489068604,0.2780888047426496
EOS-2-14006,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2OC)cn1,RPCGKSQPRLTWPW-UHFFFAOYSA-N,2,1,0.523,35,604,460.519,3.949,5,0.343,0.68,1.0,0.4444006579398259,0.260006168185868,0.39746247686930297,0.217505654170379,0.329843739291344
EOS-2-14007,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)s5)n34)c(F)c2)s1,FZWSVHBFIKIRGR-UHFFFAOYSA-N,2,1,0.325,32,126,460.519,5.746,6,0.333,0.64,1.0,0.24342916866561579,0.4032108834212871,0.5582893564526078,0.5623415118908917,0.44181773010760056
EOS-2-14008,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)cc1,ZLXYQUCDFJTSMO-UHFFFAOYSA-N,2,1,0.354,3,668,439.479,4.907,6,0.39,0.78,1.0,0.031603385648687546,0.19986635597285998,0.705357754780344,0.7342111575628812,0.4177596634911932
EOS-2-14009,Fc1ccc(-c2ncsc2-c2nnc3cncc(-c4cn(-c5ccccc5)cn4)n23)cc1,SCKWXCCHLBPWFX-UHFFFAOYSA-N,2,1,0.338,30,298,439.479,4.907,6,0.39,0.65,1.0,0.05185559591529025,0.1738571722294565,0.5417980261805222,0.6500411212391201,0.3543879788910973
EOS-2-14010,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)nn1,SKGDNGWBMSFQHR-UHFFFAOYSA-N,2,1,0.31,3,783,439.479,4.907,6,0.39,0.7,1.0,0.029230347474470564,0.21429305736412857,0.6362569392091015,0.7233225961208964,0.40077573504214925
EOS-2-14011,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccs6)[nH]5)n34)cc2)cc1,GWWGOCPTNQGSKV-UHFFFAOYSA-N,2,1,0.397,3,550,439.479,5.111,6,0.413,0.75,0.262,0.2779967103008704,0.5018675896100336,0.6484562401480365,0.7498457953533,0.5445415838530601
EOS-2-14012,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cnc(C)nc4)nc3)n12,KZPCJIQPKMOBEW-UHFFFAOYSA-N,2,1,0.563,84,282,439.479,3.582,5,0.379,0.76,1.0,0.48795490370776506,0.35048146117469675,0.39364162840106914,0.23813480912891508,0.3675532006031115
EOS-2-14013,COc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cccc(C)n1,DTAWRDLAPGJMPV-UHFFFAOYSA-N,2,1,0.505,49,769,439.479,3.582,5,0.379,0.62,0.977,0.45845041463916114,0.22459906791857995,0.18316085258035775,0.10531320677129738,0.24288088547734907
EOS-2-14014,Fc1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-n5cccc5)cc4)n23)nc1,BHFDHKXVZGYDJQ-UHFFFAOYSA-N,2,1,0.296,32,20,439.479,4.907,6,0.39,0.68,1.0,0.06569117949420876,0.18658762250702488,0.5485316290864232,0.6413628263998356,0.3605433143718731
EOS-2-14015,Fc1ccc(-c2cscc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,XBTQXAAJKVIYLN-UHFFFAOYSA-N,2,1,0.387,9,834,439.479,5.111,6,0.413,0.69,1.0,0.2566907682818176,0.3888698512781852,0.7626447810294017,0.80031354944829,0.5521297375094236
EOS-2-14016,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)nn2)cc1,ICVXNJJXELOBSC-UHFFFAOYSA-N,2,1,0.35,3,783,439.479,4.907,6,0.39,0.76,1.0,0.034104927695154545,0.18219279007607428,0.6732917551915565,0.7498543622781166,0.4098609588102255
EOS-2-14017,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)cn2)c1,XYWRMOSEPZPVKB-UHFFFAOYSA-N,2,1,0.333,3,668,439.479,4.907,6,0.39,0.71,1.0,0.023516208621753135,0.23441676375848125,0.7513878418203002,0.7820060311150709,0.44783171132890137
EOS-2-14018,COCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(C)c5)n34)c2)cn1,FEYCQRHABYOPSJ-UHFFFAOYSA-N,2,1,0.419,46,160,439.479,3.677,5,0.379,0.67,1.0,0.3495648002193133,0.1615893358919882,0.49343773559043247,0.3383849633335618,0.33574420875882394
EOS-2-14019,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)nn2)cc1,HUJSFVPGRSWYNP-UHFFFAOYSA-N,2,1,0.298,30,298,439.479,4.907,6,0.39,0.78,1.0,0.008918168734151188,0.06500582550887533,0.5684068946610924,0.684908505242958,0.3318098485367692
EOS-2-14020,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccc(C)cn4)nn3)n12,XMESPRLZTOGNOE-UHFFFAOYSA-N,2,1,0.49,19,54,439.479,3.582,5,0.379,0.7,0.999,0.4145363580289219,0.16540161743540538,0.29340004112123913,0.19990062367212666,0.26830966006442325
EOS-2-14021,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)s2)cn1,KNRIANRKOWPPJS-UHFFFAOYSA-N,2,1,0.271,30,195,439.479,4.907,6,0.365,0.73,0.979,0.004386265506133918,0.06091940237132479,0.6395552052635186,0.681995750805291,0.3467141559865671
EOS-2-14022,COc1nc(-c2nnc3cncc(OCc4ncccc4C)n23)ccc1-c1cccc(C)n1,COKHPVNRNWNYSW-UHFFFAOYSA-N,2,1,0.432,49,501,439.479,3.848,5,0.393,0.58,0.999,0.3472345966691796,0.16541018436022206,0.21730004797477898,0.10973373997669797,0.20991964224521967
EOS-2-14023,Fc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6c[nH]cn6)cc5)n34)c2)cs1,HCXUXOAYWLYBKZ-UHFFFAOYSA-N,2,1,0.342,69,152,439.479,5.111,6,0.413,0.68,1.0,0.25184188883558356,0.29656123637858955,0.7340398190665479,0.7395740524981153,0.505504249194709
EOS-2-14024,Cc1c(F)ccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccns5)s4)n23)cn1,LAUZWBFFMUFBKM-UHFFFAOYSA-N,2,1,0.265,86,151,460.523,4.672,6,0.38,0.53,0.997,0.006536563635117538,0.06092796929614146,0.2788791035569872,0.32545747378521006,0.16795027756836406
EOS-2-14025,CCOCc1ncc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccn2)cn1,QWIHROYJZAUYMG-UHFFFAOYSA-N,2,1,0.467,7,567,460.523,3.524,5,0.343,0.72,1.0,0.2948135837159893,0.2600147351106847,0.06995750805290933,0.039399287231855255,0.16604627852785966
EOS-2-14026,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)c1-c1ccc(F)cc1,RBZQNYWQESOCBJ-UHFFFAOYSA-N,2,1,0.368,76,653,460.523,4.578,6,0.383,0.55,0.998,0.06972620108285929,0.23442533068329793,0.33405009937632785,0.43705023644712493,0.2688129668974025
EOS-2-14027,COc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1O,QLSKQEBELNZCDQ-UHFFFAOYSA-N,2,1,0.607,91,955,439.475,4.189,5,0.406,0.66,1.0,0.5516157220204235,0.3554160098690974,0.7028990473579604,0.5720221369337263,0.5454882290453019
EOS-2-14028,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)sc1-c1ccccc1,OZIVJQBRTQXOFC-UHFFFAOYSA-N,2,1,0.375,93,479,439.475,5.981,6,0.338,0.72,1.0,0.34017545062024535,0.452624905763827,0.765060653827702,0.7866150366664382,0.5861190117195532
EOS-2-14029,Fc1cc(-c2ccoc2)ccc1-c1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,AZXHOLGRMFFFKF-UHFFFAOYSA-N,2,1,0.388,69,30,439.475,5.981,6,0.338,0.7,1.0,0.2974350627098897,0.435345418408608,0.8947981632513193,0.9019858131725036,0.6323911143855802
EOS-2-14030,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)oc1-c1cscn1,IZINKPNDSKXUDU-UHFFFAOYSA-N,2,1,0.386,93,651,439.475,5.981,6,0.338,0.66,1.0,0.3539681995750805,0.45702830511959425,0.8063960660681242,0.8335446508121445,0.6127343053937359
EOS-2-14031,Fc1cc(-c2cccs2)ccc1-c1nnc2cncc(-c3ccc(-c4ccon4)cc3)n12,MUATYZKNBFYEJM-UHFFFAOYSA-N,2,1,0.388,69,484,439.475,5.981,6,0.338,0.74,1.0,0.30251524912617367,0.44389520937564253,0.8598708107737647,0.8761308340758002,0.6206030258378453
EOS-2-14032,Fc1cc(-c2nccs2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,QIJYRWDJHUOREI-UHFFFAOYSA-N,2,1,0.382,69,484,439.475,5.981,6,0.338,0.75,1.0,0.30000514015489,0.4216811733260229,0.8456925502021794,0.852383318483997,0.6049405455417723
EOS-2-14033,Fc1cc(-c2cncs2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,RGPLOKKHOUCQDO-UHFFFAOYSA-N,2,1,0.342,69,484,439.475,5.981,6,0.338,0.73,1.0,0.3330306353231444,0.43535398533342473,0.8818878075526009,0.887404907134535,0.6344193338359263
EOS-2-14034,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(O)CO)cn5)n34)cc2)cc1,DRCGEBGSNOOVAY-UHFFFAOYSA-N,2,1,0.409,62,528,439.475,3.98,5,0.412,0.7,0.456,0.5516242889452402,0.5104773490507847,0.887764717976835,0.8215680899184429,0.6928586114728257
EOS-2-14035,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccoc6)cc5)n34)s2)nc1,WUWCALBPTKAOBL-UHFFFAOYSA-N,2,1,0.351,32,126,439.475,5.981,6,0.338,0.77,1.0,0.32042868891782605,0.4395432115687753,0.8219536015351929,0.8470118566239463,0.6072343396614351
EOS-2-14036,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)o5)n34)cc2)cn1,SOHFPXNYBSJGQD-UHFFFAOYSA-N,2,1,0.295,69,174,439.475,5.981,6,0.316,0.76,1.0,0.2780052772256871,0.3065074360907409,0.862826399835515,0.8720015763141663,0.5798351723665273
EOS-2-14037,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)nc4)n23)cn1,JGFDKJUJLXHLLT-UHFFFAOYSA-N,2,1,0.282,99,719,439.468,2.562,6,0.407,0.59,0.999,0.03295695976972106,0.053303406209307104,0.069966074977726,0.08733123158111164,0.06088941813446645
EOS-2-14038,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)n2)nn1,TZNULSTWZWKZGF-UHFFFAOYSA-N,2,1,0.282,98,63,439.468,2.562,6,0.407,0.65,1.0,0.031611952573504215,0.04226920704543897,0.06564834487012541,0.0820454389692276,0.05539373586457405
EOS-2-14039,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cn2)n1,DDJDANHTOULABG-UHFFFAOYSA-N,2,1,0.293,98,63,439.468,2.562,6,0.407,0.62,1.0,0.04279178945925571,0.05331197313412377,0.07423240353642656,0.094981495442396,0.06632941539305051
EOS-2-14040,Cc1cnc(-c2nnc(-c3cncc4nnc(-c5csc(-c6ccccc6)n5)n34)o2)nc1,KEVFIAYMGDQRPU-UHFFFAOYSA-N,2,1,0.266,76,541,439.464,3.73,6,0.404,0.66,0.996,0.06766157220204236,0.07592008772531013,0.02670310465355356,0.04067575902953876,0.052740130902611204
EOS-2-14041,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)nc2)n1,JCNRXCXIWDZKJP-UHFFFAOYSA-N,2,1,0.311,38,725,439.464,3.73,6,0.404,0.71,1.0,0.11404290315948187,0.13874134740593516,0.17017339455828936,0.17504797477897335,0.14950140497566994
EOS-2-14042,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cncs6)n5)n34)cc2)o1,XXYQUIMODJIEBA-UHFFFAOYSA-N,2,1,0.298,42,303,439.464,3.73,6,0.404,0.67,1.0,0.18276677403879105,0.2246076348433966,0.1607669111095881,0.1668922623535056,0.18375839558632034
EOS-2-14043,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5C)n34)cn2)s1,MBDGWQVQAQXEQV-UHFFFAOYSA-N,2,1,0.56,84,684,460.538,4.996,5,0.355,0.77,0.993,0.6814474676170242,0.7609228291412514,0.40455589061750397,0.3414947570420122,0.547105236104448
EOS-2-14044,c1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)cc2)o1,CVTNZURPEFEAFY-UHFFFAOYSA-N,2,1,0.513,41,722,439.46,4.757,6,0.379,0.64,1.0,0.5593602220546913,0.4832088273593311,0.5314491810019876,0.4838770474950312,0.5144738194777603
EOS-2-14045,c1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)cn2)o1,CYKIAXHBTTZZHW-UHFFFAOYSA-N,2,1,0.442,41,870,439.46,4.757,6,0.379,0.65,1.0,0.5542115002398739,0.4526334726886437,0.47984202590638064,0.45928140634637793,0.48649210129531906
EOS-2-14046,c1cc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4)n23)cc(-c2ccsc2)n1,LVCUDUJILLVPNC-UHFFFAOYSA-N,2,1,0.476,41,870,439.46,4.757,6,0.379,0.72,1.0,0.5905438283873621,0.4353625522582414,0.49684737166746623,0.4592899732711946,0.49551093139606606
EOS-2-14047,CCn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc6ccccc56)n34)cc2)n1,PQWAUAVSAUDGAY-UHFFFAOYSA-N,2,1,0.544,79,824,460.541,5.449,6,0.317,0.74,1.0,0.6329501062298677,0.5567815776848742,0.6068552532382976,0.5938420944417792,0.5976072578987046
EOS-2-14048,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(C#N)c5)n34)cc2)cn1,ZYZJBFUGLAOZQK-UHFFFAOYSA-N,2,1,0.654,91,322,439.454,3.824,5,0.399,0.72,1.0,0.882144815297101,0.8657734219724488,0.8685576725378658,0.8088462065656912,0.8563305290932767
EOS-2-14049,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C#N)cc5)n34)cc2F)cn1,WXLJOACLMDQQGU-UHFFFAOYSA-N,2,1,0.692,91,309,439.454,3.824,5,0.399,0.75,1.0,0.9285689808786238,0.885160372832568,0.8657048865739154,0.8195205948872593,0.8747387087930916
EOS-2-14050,Cc1c(-c2cc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)ccc2F)cnn1C,UEKPESWSHQJDOP-UHFFFAOYSA-N,2,1,0.58,43,230,439.454,4.09,5,0.409,0.74,1.0,0.7772171201425536,0.7655404016174354,0.8472345966691797,0.7820145980398876,0.793001679117264
EOS-2-14051,FC(F)n1cnc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)ccn2)c1,UWLBJCMERQPEAK-UHFFFAOYSA-N,2,1,0.612,75,819,439.451,4.128,5,0.379,0.74,0.996,0.6565262833253376,0.6479165238845864,0.6539562058803372,0.5783016928243437,0.6341751764786513
EOS-2-14052,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4csc(F)c4F)n23)c1,QOMFFGUATBIKKT-UHFFFAOYSA-N,2,1,0.371,46,211,439.451,3.988,5,0.398,0.67,0.999,0.45175964635734356,0.35542457679391404,0.6005756973476801,0.5193612500856692,0.48178029264615174
EOS-2-14053,COc1nc(-c2nnc3cncc(OCC4(F)CCOCC4)n23)ccc1-c1ccn(C)n1,PCFVLRPBGDOHDS-UHFFFAOYSA-N,2,1,0.389,78,548,439.451,2.493,5,0.452,0.55,1.0,0.3378452470701117,0.21927044068261256,0.02791104105270372,0.062435748063874995,0.16186561921732573
EOS-2-14054,Cn1cnc(-c2ccsc2)c1COc1cncc2nnc(-c3ccc(C(F)F)cn3)n12,VQQBMCJZZHFHFA-UHFFFAOYSA-N,2,1,0.44,7,62,439.451,4.165,5,0.395,0.64,1.0,0.4376327873346583,0.36483962716743196,0.6036940579809471,0.5361524227263381,0.4855797238023439
EOS-2-14055,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)cc1-c1ccsn1,TWCGOYUZLAJXHZ-UHFFFAOYSA-N,2,1,0.489,95,998,439.451,3.548,5,0.402,0.61,1.0,0.39515797409361936,0.2965698033034062,0.4658351038311288,0.5091323418545679,0.4166738057706806
EOS-2-14056,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)c(F)s4)n23)c1,DXDRWPQNWCANNF-UHFFFAOYSA-N,2,1,0.438,46,544,439.451,3.814,5,0.414,0.64,0.862,0.3562898362003975,0.34584675484887945,0.5450620245356727,0.45929854019601124,0.42662428894524024
EOS-2-14057,FCCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ncc(F)s4)n23)c1,ATGYYKRSNRSCBK-UHFFFAOYSA-N,2,1,0.484,26,448,439.451,3.799,5,0.384,0.54,1.0,0.4263073127270235,0.3504900280995134,0.35250325543143035,0.3542423411692139,0.3708857343567953
EOS-2-14058,Cc1ccccc1-c1ccc(-c2nnc3cncc(OC4Oc5ccccc5C4F)n23)nc1,ULVVZVTZWQFEMB-UHFFFAOYSA-N,2,1,0.43,79,198,439.45,4.97,6,0.394,0.52,0.882,0.7858011788088548,0.6425964635734357,0.9507230484545267,0.9144935234048386,0.8234035535604138
EOS-2-14059,Oc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(C6COC6)cc5)n34)c2)cc1F,HFUDRUBJAGQDKQ-UHFFFAOYSA-N,2,1,0.33,62,3,439.45,4.479,6,0.445,0.65,1.0,0.5412240422178055,0.6193972311698992,0.9258703995613734,0.9132598862312384,0.7499378897950792
EOS-2-14060,CCn1nc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,SZKHIFBTXHFABD-UHFFFAOYSA-N,2,1,0.273,98,866,439.447,1.65,6,0.423,0.67,1.0,0.06767013912685903,0.04945685696662326,0.009980467411417997,0.009637790418751286,0.034186313480912896
EOS-2-14061,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n(C)n1,GKULBGIGJIOJKC-UHFFFAOYSA-N,2,1,0.347,67,789,439.443,2.503,6,0.434,0.56,1.0,0.40562675621958744,0.32176512918922623,0.08810225481461174,0.07681104790624357,0.22307629703241727
EOS-2-14062,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)nn5C)n34)o2)n1C,ZSFQEIXCFSDOFT-UHFFFAOYSA-N,2,1,0.232,99,794,439.443,2.346,6,0.406,0.58,0.83,0.008232814748817764,0.006330957439517511,0.02897333972997053,0.023430539373586457,0.016741912822973066
EOS-2-14063,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cnn(C)c6)cn5)n34)o2)n1C,BOMRDJAYQIFHHN-UHFFFAOYSA-N,2,1,0.245,99,794,439.443,2.346,6,0.406,0.65,0.785,0.019421218559385924,0.014049756699335206,0.030087039956137346,0.023439106298403126,0.0217492803783154
EOS-2-14064,CCn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6nncn6C)o5)n34)nc2)cn1,MFMHFQIJPFUTTQ-UHFFFAOYSA-N,2,1,0.253,99,286,439.443,2.52,6,0.397,0.64,1.0,0.04422246590363923,0.04227777397025564,0.031243574806387498,0.026874443149886917,0.03615456445754232
EOS-2-14065,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4nnc5ccccn45)n23)cc1,FTKUTMAHSDMLKZ-UHFFFAOYSA-N,2,1,0.506,67,447,439.443,1.646,6,0.381,0.68,1.0,0.5152833938729354,0.3746744568569666,0.021520115139469536,0.03276848742375437,0.23606161332328146
EOS-2-14066,c1cc(CCCOc2cncc3nnc(-c4ccc(-c5cn6cnnc6nn5)cc4)n23)co1,YMPUUWOVJIRKMV-UHFFFAOYSA-N,2,1,0.489,71,415,439.439,2.896,6,0.346,0.71,1.0,0.6565348502501542,0.4832173942841478,0.1330357754780344,0.16969364676855597,0.3606204166952231
EOS-2-14067,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)o4)n23)cc1,HYQJUUXHJBDHRP-UHFFFAOYSA-N,2,1,0.483,67,415,439.439,2.945,6,0.389,0.64,1.0,0.36316050990336507,0.17807209923925707,0.21730861489959563,0.17244362963470633,0.23274621341923102
EOS-2-14068,COc1cc(-c2nnc3cncc(OCc4ncnn4C)n23)ccc1-c1ccc(C#N)nc1,SSYNGUIJTLXSFV-UHFFFAOYSA-N,2,1,0.429,15,936,439.439,2.441,5,0.392,0.59,1.0,0.41233465835103833,0.36024775546569804,0.3116304571311082,0.21493557672537866,0.3247871119183058
EOS-2-14069,COc1cc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)ccc1-c1ncnn1C,MVHGVFLULGDFDU-UHFFFAOYSA-N,2,1,0.558,89,375,439.439,2.441,5,0.392,0.67,0.999,0.43287814406140773,0.2344338976081146,0.36737543691316565,0.22609827976149682,0.3151964395860462
EOS-2-14070,Cc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc([N+](=O)[O-])cc4)n23)nn1,KWURPKGATYUUDO-UHFFFAOYSA-N,2,1,0.595,1,347,439.435,4.044,5,0.287,0.72,1.0,0.6537163319854705,0.30651600301555754,0.3751627715715167,0.18078781440614078,0.37904573024467136
EOS-2-14071,O=[N+]([O-])c1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1,BICSZHHBDMWGRA-UHFFFAOYSA-N,2,1,0.602,11,529,439.435,3.778,5,0.277,0.82,1.0,0.6661640737440888,0.1615979028168049,0.4150675073675553,0.22610684668631348,0.3672340826536906
EOS-2-14072,O=[N+]([O-])c1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1,GJLOWIRGUAQCAU-UHFFFAOYSA-N,2,1,0.757,91,300,439.435,3.778,5,0.277,0.79,1.0,0.9422417928860256,0.45703687204441096,0.3974710437941197,0.18899492838050852,0.49643615927626616
EOS-2-14073,CCc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cs1,GZKOPAKDUQWIQR-UHFFFAOYSA-N,2,1,0.362,93,651,460.566,6.206,6,0.306,0.76,1.0,0.13321568089918442,0.1693081351518059,0.4373500788157083,0.49593927763689943,0.30895329312589953
EOS-2-14074,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cscc5-c5cccc(C)n5)n34)cc2)n1,PBAAGOWGVQFEAX-UHFFFAOYSA-N,2,1,0.333,69,532,460.566,6.261,6,0.31,0.69,1.0,0.10101261051333013,0.12828969912960045,0.6484648070728531,0.59959906791858,0.36934154615859094
EOS-2-14075,COc1cc(-c2nnc3cncc(OCCc4cnc(F)s4)n23)ccc1-c1ncon1,JUUQRZMKUTXAAZ-UHFFFAOYSA-N,2,1,0.529,15,604,439.432,3.067,5,0.377,0.66,1.0,0.7913525460900556,0.6820300185045576,0.21065211431704475,0.14856761017065315,0.4581505722705778
EOS-2-14076,Cc1csc(-c2nncc(-c3cncc4nnc(-c5ccc(C(F)F)c(F)c5)n34)n2)c1,WPXITPDMNOJCLI-UHFFFAOYSA-N,2,1,0.321,50,542,439.426,4.757,5,0.402,0.55,0.986,0.25962922349393464,0.4439037763004592,0.8237183880474265,0.8155712425467754,0.5857056575971489
EOS-2-14077,Cc1ncccc1-c1nnc2cncc(-c3ccc(-c4ccc(C(F)(F)F)nn4)s3)n12,PQNOSMGBGHTQGC-UHFFFAOYSA-N,2,1,0.354,50,542,439.426,4.699,5,0.405,0.73,0.993,0.21334212870947844,0.3934617229799191,0.8394044273867453,0.7208895894729628,0.5417744671372764
EOS-2-14078,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c2)s1,ZTGBVACDIGAULS-UHFFFAOYSA-N,2,1,0.486,96,121,439.426,4.699,5,0.405,0.72,1.0,0.21592077307929547,0.3983363032006031,0.8657134534987321,0.7654632992940854,0.561358457268179
EOS-2-14079,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)cc1,JDDAKPBIJDHGGK-UHFFFAOYSA-N,2,1,0.538,83,472,439.425,5.598,5,0.356,0.83,1.0,0.6477023507641697,0.8407323007333287,0.9876379274895484,0.9867983688575149,0.8657177369611405
EOS-2-14080,Fc1ccccc1-c1nnc2cncc(OCc3cnc(-c4c(F)cccc4F)s3)n12,HJTIAULULDUTQS-UHFFFAOYSA-N,2,1,0.55,57,671,439.422,4.911,5,0.389,0.74,1.0,0.8431653073812624,0.8631605099033651,0.8472431635939963,0.8804057295593174,0.8584936776094854
EOS-2-14081,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccsc5)c(F)cn4)n23)c(F)c1,JARYYSSTCPYVOZ-UHFFFAOYSA-N,2,1,0.548,73,10,439.422,4.911,5,0.389,0.66,1.0,0.7714687135905696,0.8631690768281818,0.9340175450620245,0.9364419847851415,0.8762743300664795
EOS-2-14082,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c(F)c1F,WDMMJMUHQUOICG-UHFFFAOYSA-N,2,1,0.597,59,962,439.422,4.911,5,0.364,0.68,1.0,0.9654581591391954,0.9310191213761908,0.9596412171886779,0.9484785141525598,0.951149252964156
EOS-2-14083,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3cnc(F)c(F)c3)n12,TXDWKTRFQICYDT-UHFFFAOYSA-N,2,1,0.5,97,89,439.422,4.911,5,0.364,0.77,1.0,0.9046415598656706,0.8601877869919814,0.9454629566170927,0.9398687547118086,0.9125402645466384
EOS-2-14084,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)cs2)cc1,TXTXRGQIITYOQM-UHFFFAOYSA-N,2,1,0.549,57,461,439.422,4.911,5,0.389,0.78,1.0,0.8545935850866972,0.9130971146597218,0.8804828318826674,0.9008892467959702,0.8872656946062641
EOS-2-14085,Fc1ccc(F)c(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)c1F,JONGKOLQDXKXRR-UHFFFAOYSA-N,2,1,0.543,57,962,439.422,4.911,5,0.364,0.56,1.0,0.8546021520115139,0.807432663970941,0.9308563498046741,0.9320985539030909,0.881247429922555
EOS-2-14086,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)nc5)[nH]4)n23)nc1,CJUCBBXMPBHTLO-UHFFFAOYSA-N,2,1,0.288,70,407,439.418,2.573,6,0.415,0.63,0.257,0.11405147008429854,0.16931670207662258,0.26390411897745186,0.2825029127544377,0.20744380097320264
EOS-2-14087,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nn[nH]n6)c5)n34)cc2F)n[nH]1,NKENHJQYPWSULI-UHFFFAOYSA-N,2,1,0.3,82,859,439.418,2.871,6,0.427,0.66,1.0,0.27801384415050373,0.33578918511411143,0.40805976286752105,0.4244225892673566,0.3615713453498732
EOS-2-14088,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)nc2)[nH]c1F,HREWEJBRFFKQGA-UHFFFAOYSA-N,2,1,0.269,70,652,439.418,2.871,6,0.427,0.65,0.193,0.19391234322527587,0.28616098965115483,0.21400178192036187,0.20594030566787747,0.22500385511616752
EOS-2-14089,N=c1[nH]nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)[nH]1,KKIKSCZOBQHISG-UHFFFAOYSA-N,2,1,0.318,9,7,439.418,2.58,6,0.331,0.68,1.0,0.19680796381330956,0.25000856692481666,0.46584367075594546,0.4466109245425262,0.3398177815091495
EOS-2-14090,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)nn1,PFAKVGXGSZYELX-UHFFFAOYSA-N,2,1,0.313,98,7,439.418,2.573,6,0.444,0.64,1.0,0.1713299294085395,0.22461620176821329,0.2934086080460558,0.3070043177301076,0.24908976423822904
EOS-2-14091,Cn1cnc(-c2ccc(F)cn2)c1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cn3)n12,GILSHAOHIFIHPF-UHFFFAOYSA-N,2,1,0.253,76,652,439.418,2.573,6,0.444,0.53,0.642,0.18846377904187514,0.24516825440339934,0.13611130148721814,0.18350352957302446,0.18831171612637926
EOS-2-14092,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)c(F)c5)n34)c2)nn1,IXCBIXYLTRPRGS-UHFFFAOYSA-N,2,1,0.29,98,63,439.418,2.573,6,0.444,0.59,0.999,0.09152902474127887,0.21927900760742924,0.34465595229936263,0.38026009183743403,0.25893101912137617
EOS-2-14093,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nc[nH]n6)cn5)n34)c(F)c2)cn1,PRUSFLADPSFKSB-UHFFFAOYSA-N,2,1,0.306,86,167,439.418,2.573,6,0.444,0.66,0.999,0.19136796655472552,0.31167329175519154,0.31917791789459254,0.32859296826811046,0.28770303611815506
EOS-2-14094,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(F)c5)n4)n23)cn1,BECBDVPCQSFQER-UHFFFAOYSA-N,2,1,0.317,10,952,439.418,2.369,6,0.411,0.62,0.829,0.034113494619971214,0.16160646974162154,0.10240045233363032,0.15367349736138716,0.11294847851415254
EOS-2-14095,Cn1nc(-c2ncc(F)cn2)cc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,KHJYUTAVTAUIMQ-UHFFFAOYSA-N,2,1,0.301,98,154,439.418,2.573,6,0.444,0.65,1.0,0.12760434514426702,0.19987492289767664,0.17018196148310602,0.19168494277294224,0.17233654307449797
EOS-2-14096,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)c(F)c1,OYJLFWCVWYLZMJ-UHFFFAOYSA-N,2,1,0.302,98,765,439.418,2.369,6,0.411,0.72,1.0,0.01579740936193544,0.15763141662668767,0.23904290315948187,0.27954732369268726,0.17300476321019806
EOS-2-14097,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)cn1,LHTRAHGTXSEDRI-UHFFFAOYSA-N,2,1,0.295,98,154,439.418,2.573,6,0.444,0.59,1.0,0.15511274073058734,0.2706034541840861,0.29341717497087244,0.3132324720718251,0.25809146048934273
EOS-2-14098,Cn1ncc(-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)c1-c1ccc(F)cc1,JDTHJGXFFJMHEI-UHFFFAOYSA-N,2,1,0.333,10,618,439.418,2.369,6,0.411,0.65,1.0,0.010939962990884792,0.1085772051264478,0.1189603180042492,0.1890034953053252,0.10687024535672675
EOS-2-14099,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5n[nH]c(F)n5)cc4)n23)c1,CYKLYVVQZPYHFZ-UHFFFAOYSA-N,2,1,0.325,25,508,439.418,2.573,6,0.444,0.68,1.0,0.16325131930642175,0.2500171338496333,0.18645911863477485,0.23218079638133096,0.2079770920430402
EOS-2-14100,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5F)n4)n23)cn1,SZCHLLXJPUMKDJ-UHFFFAOYSA-N,2,1,0.295,10,952,439.418,2.369,6,0.411,0.6,0.95,0.04566170927283942,0.17808066616407375,0.0856949489411281,0.13656534850250154,0.11150066822013571
EOS-2-14101,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5F)n34)nc2)n1,QGGQQYXJZBMQHB-UHFFFAOYSA-N,2,1,0.302,98,154,439.418,2.573,6,0.444,0.62,1.0,0.21068638201631143,0.31168185868000825,0.3006305256665068,0.297452196559523,0.28011274073058734
EOS-2-14102,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)cc1,DRGYQXPWODSILF-UHFFFAOYSA-N,2,1,0.321,25,508,439.418,2.573,6,0.444,0.68,1.0,0.21069494894112809,0.28064389006922075,0.27111746967308614,0.32237338085120965,0.27120742238366113
EOS-2-14103,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ncc(F)cn5)[nH]4)n23)cc1,XPYHWBKVVQIRTE-UHFFFAOYSA-N,2,1,0.312,8,42,439.418,2.573,6,0.444,0.61,1.0,0.21070351586594477,0.20450962922349394,0.13611986841203483,0.16970221369337263,0.18025880679871154
EOS-2-14104,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nc[nH]n6)cc5F)n34)cc2)n1,BXPGUBSWWBPMEY-UHFFFAOYSA-N,2,1,0.291,98,154,439.418,2.573,6,0.444,0.65,1.0,0.22717771228839695,0.2806524569940374,0.2460592145843328,0.25864402714001783,0.25313335275169624
EOS-2-14105,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cc2)o1,FERMWZJSERUSLI-UHFFFAOYSA-N,2,1,0.322,3,289,439.414,3.537,6,0.41,0.7,1.0,0.06043965458159139,0.2093927763689946,0.2752809951339867,0.3191864848194092,0.2160749777259955
EOS-2-14106,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)cn1,JJVKHSSXDSQIOO-UHFFFAOYSA-N,2,1,0.511,65,282,439.414,2.671,5,0.392,0.7,1.0,0.9030995133986705,0.9188026865876225,0.4798505928311973,0.43076211363169076,0.6831287266122953
EOS-2-14107,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)c6)o5)n34)cc2)n[nH]1,NAFOAQDKBODBGP-UHFFFAOYSA-N,2,1,0.361,3,641,439.414,3.741,6,0.441,0.7,1.0,0.20796209992461107,0.38887841820300184,0.2863066273730382,0.3286015351929272,0.30293717017339455
EOS-2-14108,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncc(F)cn6)c5)n34)cc2)o1,OKOWRJTXMDQOEJ-UHFFFAOYSA-N,2,1,0.303,42,150,439.414,3.537,6,0.41,0.77,1.0,0.06973476800767596,0.19526591734630938,0.3446645192241793,0.3223819477760263,0.23301178808854772
EOS-2-14109,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5F)n34)cn2)ccn1,KUCUJXMISXLZCP-UHFFFAOYSA-N,2,1,0.307,10,151,439.414,3.537,6,0.41,0.72,1.0,0.039870468096771985,0.15763998355150435,0.5076245630868343,0.46861078747172913,0.29343645055170997
EOS-2-14110,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccn6)c5)n34)cc2F)o1,WIXTZJAWYGQDQJ-UHFFFAOYSA-N,2,1,0.307,42,151,439.414,3.537,6,0.41,0.64,1.0,0.05186416284010691,0.19988348982249332,0.38627407305873485,0.3610873140977315,0.24977725995476663
EOS-2-14111,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nc[nH]n6)cc5F)n34)cc2)o1,IJXWIZXTYVHGLD-UHFFFAOYSA-N,2,1,0.3,42,154,439.414,3.741,6,0.441,0.69,1.0,0.322801727092043,0.4570454389692276,0.40806832979233776,0.390060653827702,0.3944940374203276
EOS-2-14112,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(F)c1,ZETLHLYWGJGSET-UHFFFAOYSA-N,2,1,0.329,9,340,439.414,3.443,6,0.411,0.69,1.0,0.28370228222877114,0.3888869851278185,0.4411109588102255,0.4559231718182441,0.39240584949626484
EOS-2-14113,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)cc1,CCFZHUWZYXCXHI-UHFFFAOYSA-N,2,1,0.346,9,340,439.414,3.443,6,0.411,0.67,1.0,0.3025238160509903,0.3746830237817833,0.44469193338359264,0.4593071071208279,0.39530147008429856
EOS-2-14114,Cn1cc(-c2cc(F)c(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cn2)cn1,QWPZXBIKMOIZKU-UHFFFAOYSA-N,2,1,0.319,70,967,439.414,3.443,6,0.411,0.68,0.999,0.21071208279076142,0.26528339387293537,0.4934463025152491,0.4559317387430608,0.35634337948050165
EOS-2-14115,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc6ccccn56)n34)cn2)cn1,BELAPZMHAUWZEY-UHFFFAOYSA-N,2,1,0.4,6,247,439.414,3.009,6,0.377,0.77,1.0,0.5386882324720719,0.5615619217325749,0.3191864848194092,0.36425707627989856,0.4459234288259887
EOS-2-14116,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cn1,QHRBFQJPPDYIDX-UHFFFAOYSA-N,2,1,0.329,98,725,439.414,3.443,6,0.411,0.66,1.0,0.232514906449181,0.265291960797752,0.5283308203687205,0.48673840038379823,0.37821902199986296
EOS-2-14117,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cn1,KTHFQLJSGRLODS-UHFFFAOYSA-N,2,1,0.307,42,727,439.414,3.443,6,0.411,0.64,1.0,0.27028647796586935,0.27061202110890276,0.4968559385922829,0.4717034473305462,0.37736447124940026
EOS-2-14118,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cn2)o1,YVNPMUULOPSSSV-UHFFFAOYSA-N,2,1,0.356,10,673,439.414,3.537,6,0.41,0.69,0.638,0.02456137344938661,0.16541875128503872,0.34467308614899594,0.37724453430196697,0.22797443629634706
EOS-2-14119,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2)cn1,KFGSXWANYOWSSS-UHFFFAOYSA-N,2,1,0.463,54,411,439.414,2.671,5,0.392,0.64,0.823,0.7742615310808032,0.7609313960660681,0.42267493660475636,0.42443115619217325,0.5955747549859502
EOS-2-14120,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cn2)n1,BUWDAPKRSUDYLU-UHFFFAOYSA-N,2,1,0.347,10,673,439.414,3.537,6,0.41,0.64,1.0,0.07988657391542732,0.19527448427112604,0.34100644232746213,0.3739634020971832,0.24753272565279966
EOS-2-14121,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncc(F)c6)c5)n34)cc2)n1,LJMXSNGFTHBYDK-UHFFFAOYSA-N,2,1,0.298,42,150,439.414,3.537,6,0.41,0.73,1.0,0.06974333493249263,0.18220135700089096,0.4080768967171544,0.3958690288534028,0.2639726543759852
EOS-2-14122,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)n5)n34)cc2)no1,SPIWHAUHHAOHHP-UHFFFAOYSA-N,2,1,0.329,3,115,439.414,3.537,6,0.41,0.75,1.0,0.09153759166609554,0.22462476869302994,0.2752895620588034,0.31324103899664174,0.22617324035364267
EOS-2-14123,Cn1nc(-c2ncc(F)cn2)cc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,WJWMLGDXJCUOPM-UHFFFAOYSA-N,2,1,0.321,42,725,439.414,3.443,6,0.411,0.72,1.0,0.2107206497155781,0.2653005277225687,0.3191950517442259,0.3383935302583784,0.28340243986018776
EOS-2-14124,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)c(F)c1,KYTVCUNMZYIOOV-UHFFFAOYSA-N,2,1,0.329,25,508,439.414,3.443,6,0.411,0.78,1.0,0.2780224110753204,0.29657837022822287,0.3862826399835515,0.4244397231169899,0.34633078610102114
EOS-2-14125,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(-c6nc[nH]n6)cn5)n34)cc2)o1,FUGXEYMKMDPSMW-UHFFFAOYSA-N,2,1,0.302,38,154,439.414,3.741,6,0.441,0.59,1.0,0.32538037146186005,0.43955177849359195,0.4447005003084093,0.42148413405523955,0.4077791960797752
EOS-2-14126,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2)nn1,YDGIKIPIKDOJKP-UHFFFAOYSA-N,2,1,0.337,9,340,439.414,3.443,6,0.411,0.64,1.0,0.22427352477554657,0.2706205880337194,0.5039236515660338,0.49594784456171614,0.373691402234254
EOS-2-14127,Cn1ccnc1-c1nc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)ncc1F,OZRSYCWJMFFUOG-UHFFFAOYSA-N,2,1,0.305,42,42,439.414,3.443,6,0.411,0.67,1.0,0.302532382975807,0.2806610239188541,0.1930727845932424,0.21494414365019532,0.24780258378452472
EOS-2-14128,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1F,PQNWXOKJLMLWBW-UHFFFAOYSA-N,2,1,0.338,9,340,439.414,3.443,6,0.411,0.66,1.0,0.3180385168939757,0.3934702899047358,0.44470906723322595,0.45931567404564455,0.4038833870193955
EOS-2-14129,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)c(F)c1,VDQQTKMINCKMGU-UHFFFAOYSA-N,2,1,0.317,42,42,439.414,3.443,6,0.411,0.67,1.0,0.29744362963470633,0.34062949763552874,0.41507607429237203,0.40210575011993693,0.36381373792063604
EOS-2-14130,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)no1,VVWGQZSKWJNLHH-UHFFFAOYSA-N,2,1,0.325,9,7,439.414,3.741,6,0.441,0.65,1.0,0.340184017545062,0.40780275512302105,0.4045644575423206,0.40843670755945444,0.39024698444246453
EOS-2-14131,Cc1ncc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cn2)n1,UMBXMBHVAIPIET-UHFFFAOYSA-N,2,1,0.312,42,150,439.414,3.537,6,0.41,0.68,1.0,0.07168802686587622,0.157648550476321,0.330100747035844,0.32861010211774383,0.2220118566239463
EOS-2-14132,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)ccc2F)n1,GQCYLSAPHGRKHE-UHFFFAOYSA-N,2,1,0.321,25,508,439.414,3.443,6,0.411,0.67,1.0,0.27029504489068606,0.3217736961140429,0.37126482077993284,0.4021143170447536,0.34136196970735383
EOS-2-14133,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)nc4)n23)cn1,DNAWLRYDGIZGMU-UHFFFAOYSA-N,2,1,0.543,65,981,439.414,2.671,5,0.392,0.68,0.999,0.9014289630594202,0.9343173874306079,0.4868240696319649,0.4277294222465904,0.6875749605921458
EOS-2-14134,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)no2)nn1,AFOJYUPQNSBCQP-UHFFFAOYSA-N,2,1,0.333,32,572,439.414,3.443,6,0.411,0.72,0.939,0.16612123912000548,0.255182989514084,0.38629120690836816,0.44321842231512576,0.3127034644643959
EOS-2-14135,Cc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)nn1,YGBRSASLKNYYGY-UHFFFAOYSA-N,2,1,0.324,10,39,439.414,3.537,6,0.41,0.57,1.0,0.06232437804125831,0.19989205674730998,0.3936501953258858,0.4214927009800562,0.26933983277362755
EOS-2-14136,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6F)n5)n34)cc2)o1,NNTNFTKWGMBKEX-UHFFFAOYSA-N,2,1,0.306,3,158,439.414,3.537,6,0.41,0.74,1.0,0.1332242478240011,0.3309488725926941,0.25340963607703376,0.31324960592145845,0.25770809060379685
EOS-2-14137,Cn1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(-c2ccc(F)cn2)n1,MNYXUJDHVRVNOE-UHFFFAOYSA-N,2,1,0.305,98,340,439.414,3.443,6,0.411,0.71,1.0,0.15247412788705367,0.22463333561784662,0.3410150092522788,0.3802686587622507,0.2745977828798575
EOS-2-14138,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)c(F)c2)o1,QGWNEULRGWNQBQ-UHFFFAOYSA-N,2,1,0.336,10,39,439.414,3.537,6,0.41,0.68,1.0,0.030292646151737372,0.2045181961483106,0.2971866218902063,0.34150332396682886,0.21837519703927077
EOS-2-14139,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cc2)o1,KNVAKLXWDYAEOD-UHFFFAOYSA-N,2,1,0.314,3,39,439.414,3.537,6,0.41,0.69,1.0,0.03538139949283805,0.22464190254266328,0.31553697484750876,0.3642656432047152,0.23495648002193134
EOS-2-14140,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(F)c1,QJDSNTHIXPSMRN-UHFFFAOYSA-N,2,1,0.333,9,340,439.414,3.443,6,0.411,0.71,1.0,0.28088376396408743,0.3217822630388596,0.4336063326708245,0.440014392433692,0.36907168802686585
EOS-2-14141,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)nn2)c(F)c1,OMSKLWDWLAMFSY-UHFFFAOYSA-N,2,1,0.489,54,411,439.414,2.671,5,0.392,0.7,1.0,0.7941796312795559,0.7569820437255843,0.37905215543828386,0.4180059625796724,0.5870549482557741
EOS-2-14142,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)nc2)nn1,JCDDFBDTEQMDAZ-UHFFFAOYSA-N,2,1,0.342,32,572,439.414,3.443,6,0.411,0.69,0.999,0.16044993489137138,0.2551915564389007,0.3301093139606607,0.38336131862106776,0.28227803097800014
EOS-2-14143,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)o5)n34)c(F)c2)n[nH]1,YKCOWRDOBAXOLV-UHFFFAOYSA-N,2,1,0.295,3,572,439.414,3.741,6,0.441,0.67,0.725,0.25669933520663424,0.40321945034610374,0.3637516277157152,0.39006922075251865,0.35343490850524295
EOS-2-14144,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)s1,IZLGZVNCXYVTDF-UHFFFAOYSA-N,2,1,0.43,2,422,439.411,2.37,5,0.43,0.58,1.0,0.5004454800904667,0.4078113220478377,0.44111952573504215,0.4049756699335207,0.43858799945171684
EOS-2-14145,FC(F)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ncccn5)s4)n23)cn1,KPLRPSQLEWEFGM-UHFFFAOYSA-N,2,1,0.467,27,69,439.411,3.011,5,0.393,0.68,0.999,0.47311698992529644,0.5909978754026455,0.1514289630594202,0.1512661914879035,0.3417025049688164
EOS-2-14146,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5csnn5)cn4)n23)cn1,WGFKYCPJTAOMJZ-UHFFFAOYSA-N,2,1,0.467,7,69,439.411,3.011,5,0.393,0.61,1.0,0.4192395997532726,0.4702984716606127,0.39747961071893634,0.335258035775478,0.4055689294770749
EOS-2-14147,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)s4)n23)cn1,BPUXDZXHZWFPAZ-UHFFFAOYSA-N,2,1,0.473,55,69,439.411,3.011,5,0.393,0.65,1.0,0.6050219313275307,0.5660766911109588,0.33405866630114456,0.28828558700568846,0.4483607189363306
EOS-2-14148,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnncn5)s4)n23)cn1,VKQWRLCLNYMMHR-UHFFFAOYSA-N,2,1,0.473,92,69,439.411,3.011,5,0.393,0.66,1.0,0.5386967993968885,0.5862089644301282,0.37906072236310057,0.3191950517442259,0.45579038448358583
EOS-2-14149,FC(F)c1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cn1,UMODLGILXLWJHA-UHFFFAOYSA-N,2,1,0.398,51,113,439.411,3.011,5,0.393,0.62,0.846,0.5336080460557878,0.4395603454184086,0.27529812898362005,0.214952710575012,0.3658548077582071
EOS-2-14150,COc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ncc(-c4nnns4)cn3)n12,MMLUNOFYNORDJU-UHFFFAOYSA-N,2,1,0.345,50,918,439.411,3.108,5,0.407,0.62,0.963,0.26494071688026866,0.3458553217736961,0.41875985196353915,0.38027722568706734,0.3524582790761428
EOS-2-14151,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)cc6)o5)n34)cc2)on1,ZYEKVSONAZLCTN-UHFFFAOYSA-N,2,1,0.377,3,641,439.41,4.611,6,0.392,0.77,1.0,0.3253889383866767,0.4790967034473305,0.5213402097183195,0.5392707833596052,0.46627415872798295
EOS-2-14152,Cc1nc(-c2ccnc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)o1,PDKWWXISYXYYFS-UHFFFAOYSA-N,2,1,0.316,69,299,439.41,4.611,6,0.367,0.71,1.0,0.2596377904187513,0.35049859502433006,0.5213487766431362,0.5193698170104859,0.41271374477417583
EOS-2-14153,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)oc1F,IENMOPMEGTXGFH-UHFFFAOYSA-N,2,1,0.333,9,894,439.41,4.611,6,0.392,0.74,1.0,0.3539767664998972,0.42168974025083955,0.5616732917551915,0.49884346514974987,0.45904581591391946
EOS-2-14154,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6F)o5)n34)cc2)o1,SUPKOEZBSYRCFF-UHFFFAOYSA-N,2,1,0.35,93,641,439.41,4.611,6,0.392,0.72,1.0,0.35167226372421356,0.5018761565348503,0.49011376876156537,0.4988520320745665,0.460628555273799
EOS-2-14155,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)cc6)o5)n34)cc2)o1,USEAKEZUQBEEBM-UHFFFAOYSA-N,2,1,0.377,3,641,439.41,4.611,6,0.392,0.7,1.0,0.3472431635939963,0.5152833938729354,0.5247498457953533,0.529478788294154,0.47918879788910973
EOS-2-14156,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)c6)o5)n34)cc2)o1,ROHIZUICNWTOJQ-UHFFFAOYSA-N,2,1,0.366,3,641,439.41,4.611,6,0.392,0.69,1.0,0.3155455417723254,0.47454766636967993,0.507633130011651,0.5127904187512851,0.45262918922623535
EOS-2-14157,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)c(F)c5)n34)cc2)o1,CWWVOZOWWGGEFA-UHFFFAOYSA-N,2,1,0.346,9,38,439.41,4.611,6,0.392,0.75,1.0,0.37945480090466727,0.41726920704543896,0.6301744225892674,0.6088941813446646,0.5089481529710095
EOS-2-14158,COc1nc(F)cc(Oc2cccc(-c3cncc4nnc(-c5ccc(C#N)cc5)n34)c2)n1,KAPWVXVOLWCYEY-UHFFFAOYSA-N,2,1,0.407,62,3,439.41,4.06,5,0.377,0.79,1.0,0.6754591871701734,0.6479250908094031,0.7389058323624151,0.6471112329518196,0.6773503358234527
EOS-2-14159,OCc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccccc5F)n34)nc2F)s1,HTNINTFTRWUMLP-UHFFFAOYSA-N,2,1,0.367,13,251,439.407,3.268,5,0.416,0.64,0.971,0.5260434514426702,0.5955897471043794,0.3155455417723254,0.39007778767733536,0.4568141319991776
EOS-2-14160,COc1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)o1,DODJUMGBBURGSO-UHFFFAOYSA-N,2,1,0.319,98,63,439.399,2.092,6,0.419,0.61,1.0,0.3631690768281818,0.240096634911932,0.07424097046124323,0.05645603454184086,0.18349067918579948
EOS-2-14161,c1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nnco6)n5)n34)cc2)n[nH]1,GMSLKAUPGXDUAG-UHFFFAOYSA-N,2,1,0.417,56,425,439.399,1.995,6,0.404,0.6,1.0,0.42153553560413953,0.30140154890000687,0.0905095606880954,0.07876430676444383,0.22305273798917138
EOS-2-14162,c1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)n[nH]1,YLGLRBGBWITTCQ-UHFFFAOYSA-N,2,1,0.436,56,425,439.399,1.995,6,0.404,0.58,1.0,0.4517682132821602,0.32622849701871015,0.09494722774312933,0.08027208553217736,0.23830400589404427
EOS-2-14163,c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccon6)cn5)n34)cn2)n[nH]1,NVINGBNXQRMIDZ-UHFFFAOYSA-N,2,1,0.385,80,584,439.399,1.995,6,0.404,0.54,1.0,0.4145449249537386,0.3793862655061339,0.07857583441847714,0.06244431498869166,0.23373783496676032
EOS-2-14164,c1cncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)no2)c1,LAIRBRBGYHQNQZ-UHFFFAOYSA-N,2,1,0.384,80,584,439.399,1.995,6,0.404,0.57,1.0,0.41683229387978893,0.37469159070659996,0.04518196148310603,0.03940785415667192,0.21902842505654171
EOS-2-14165,Cc1noc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6noc(C)n6)cn5)n34)cn2)n1,ZWIIKBUUCWWHRA-UHFFFAOYSA-N,2,1,0.286,86,459,439.399,2.36,6,0.395,0.67,1.0,0.21072921664039476,0.13504900280995133,0.01321019806730176,0.008284216297717771,0.0918181584538414
EOS-2-14166,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6nnco6)c5)n34)cn2)n[nH]1,QUWQVWLAVMVSEE-UHFFFAOYSA-N,2,1,0.398,71,226,439.399,1.995,6,0.404,0.55,0.868,0.5028784867384004,0.39347885682955247,0.10769481187033103,0.09499006236721266,0.2747605544513741
EOS-2-14167,c1cncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)no2)c1,YNHDIFRBZGKTPB-UHFFFAOYSA-N,2,1,0.419,56,893,439.399,1.995,6,0.404,0.66,1.0,0.42866321705160715,0.3747001576314166,0.0677558083750257,0.06736172983345898,0.23462022822287712
EOS-2-14168,c1cnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)no2)nc1,KPNZBEAJQXOMLS-UHFFFAOYSA-N,2,1,0.424,56,425,439.399,1.995,6,0.404,0.58,1.0,0.4903793434308821,0.36484819409224867,0.031252141731204164,0.026883010074703586,0.22834067233225963
EOS-2-14169,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cn2)n[nH]1,KFPWCTSKRQDVAV-UHFFFAOYSA-N,2,1,0.439,6,584,439.399,1.995,6,0.404,0.57,1.0,0.4308306490302241,0.3698598451099993,0.10240901925844699,0.08028065245699403,0.24584504146391611
EOS-2-14170,c1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncon6)n5)n34)cn2)n[nH]1,FAEWGPVTXAKHQA-UHFFFAOYSA-N,2,1,0.375,80,34,439.399,1.995,6,0.404,0.58,1.0,0.39933006647933655,0.3648567610170653,0.06997464190254267,0.062452881913508326,0.2241535878281132
EOS-2-14171,c1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)o1,JMDJKIMDCYPAIS-UHFFFAOYSA-N,2,1,0.506,71,117,439.399,1.995,6,0.404,0.55,1.0,0.41924816667808923,0.35543314371873075,0.14819066547871976,0.12378349667603317,0.2616638681378932
EOS-2-14172,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nn[nH]n4)nc3)n12,TUEQTQUEOZNJDV-UHFFFAOYSA-N,2,1,0.289,98,727,439.399,2.092,6,0.419,0.69,0.983,0.32798471660612705,0.20940134329381124,0.14227948735521898,0.11226954972243164,0.19798377424439723
EOS-2-14173,c1cnnc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,RKPGFGQKXMDBDX-UHFFFAOYSA-N,2,1,0.424,56,425,439.399,1.995,6,0.404,0.59,1.0,0.39071174011376875,0.3554417106435474,0.04519052840792269,0.04570454389692276,0.20926213076554043
EOS-2-14174,c1coc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6conn6)cn5)n34)cc2)n1,JWABHRVSSUFXGX-UHFFFAOYSA-N,2,1,0.483,40,117,439.395,2.865,6,0.378,0.64,1.0,0.4014375299842369,0.2861695565759715,0.19308135151805908,0.16182920978685492,0.2606294119662806
EOS-2-14175,c1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)o2)nc1,OEWRGRDCMOOKIK-UHFFFAOYSA-N,2,1,0.489,81,117,439.395,2.865,6,0.378,0.66,1.0,0.4056353231444041,0.32179082996367625,0.094955794667946,0.09118634774861216,0.22839207388115962
EOS-2-14176,c1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)on2)c1,RHFZXVNZZXVCOO-UHFFFAOYSA-N,2,1,0.5,81,49,439.395,2.865,6,0.378,0.7,1.0,0.5875625385511617,0.3983448701254198,0.19308991844287574,0.16690082927832225,0.3364745390994449
EOS-2-14177,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6nnco6)c5)n34)cc2)o1,GFFOZCJXIMWEKC-UHFFFAOYSA-N,2,1,0.488,71,49,439.395,2.865,6,0.378,0.6,0.999,0.5991878555273799,0.35545027756836406,0.24606778150914949,0.21751422109519566,0.35455503392502224
EOS-2-14178,COc1nc(-c2cnco2)cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,FPKVEPVAJXYNIA-UHFFFAOYSA-N,2,1,0.317,38,725,439.395,2.962,6,0.391,0.7,1.0,0.37716743197861696,0.16161503666643823,0.15750291275443767,0.11227811664724831,0.2021408745116853
EOS-2-14179,c1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2)o1,HMLVUUYSXPWPGX-UHFFFAOYSA-N,2,1,0.556,81,117,439.395,2.865,6,0.378,0.62,1.0,0.4493694743334932,0.3747087245562333,0.23534199163868139,0.18603933931875813,0.3113648824617915
EOS-2-14180,c1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnco6)cn5)n34)nc2)co1,WJUCFDPAQCBLAV-UHFFFAOYSA-N,2,1,0.448,80,280,439.395,2.865,6,0.378,0.57,1.0,0.3723528202316497,0.25002570077445,0.18971455006510862,0.1485761770954698,0.24016731204166952
EOS-2-14181,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5)n34)cn2)o1,SSCKDMSMTVYHKH-UHFFFAOYSA-N,2,1,0.43,81,870,439.395,3.387,6,0.39,0.69,1.0,0.4584589815639778,0.2653090946473854,0.15430744979782057,0.12797272291138373,0.2515120622301419
EOS-2-14182,c1coc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)n1,LDKDDEHOFXFJHT-UHFFFAOYSA-N,2,1,0.483,40,117,439.395,2.865,6,0.378,0.66,1.0,0.4731255568501131,0.3357977520389281,0.16077547803440476,0.132350421492701,0.2755123021040367
EOS-2-14183,Cc1noc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)nn2)n1,JRWJWUOIPRYHLL-UHFFFAOYSA-N,2,1,0.396,81,622,439.395,3.387,6,0.39,0.69,1.0,0.495253923651566,0.3406380645603454,0.12717599890343362,0.10974230690151464,0.2682025735042149
EOS-2-14184,c1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)nc5)n34)cc2)o1,TZZIXKBVHHEMID-UHFFFAOYSA-N,2,1,0.556,81,49,439.395,2.865,6,0.378,0.63,1.0,0.5464841340552395,0.3065245699403742,0.26766499897196905,0.22034130628469606,0.33525375231306975
EOS-2-14185,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncon4)nc3)n12,LKAJIZXLZOVJOR-UHFFFAOYSA-N,2,1,0.321,42,369,439.395,2.962,6,0.391,0.7,1.0,0.3655763827016654,0.13874991433075184,0.22106949489411282,0.1669093962031389,0.22307629703241727
EOS-2-14186,c1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc(-c2conn2)n1,BFIYLDABORDVDF-UHFFFAOYSA-N,2,1,0.488,81,49,439.395,2.865,6,0.378,0.66,1.0,0.5260520183674868,0.3406466314851621,0.2753066959084367,0.2293794119662806,0.3428461894318416
EOS-2-14187,c1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc(-c2nnco2)c1,FMJPYUFPNQTOPP-UHFFFAOYSA-N,2,1,0.506,81,117,439.395,2.865,6,0.378,0.63,1.0,0.44440922486464257,0.34586388869851276,0.17677849359194023,0.14365019532588583,0.27767545062024535
EOS-2-14188,c1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)cc5)n34)nc2)o1,DIXXNKPZJSGQEQ-UHFFFAOYSA-N,2,1,0.452,81,117,439.395,2.865,6,0.378,0.64,1.0,0.43083921595504077,0.20940991021862793,0.2676735658967857,0.23218936330614762,0.2850280138441505
EOS-2-14189,CCn1ncc(-c2ccc(-c3nnc4cncc(OCc5nnnn5C(F)F)n34)cc2)n1,ZEIJFYZYODHWFS-UHFFFAOYSA-N,2,1,0.424,36,404,439.39,2.03,5,0.374,0.61,1.0,0.4286717839764238,0.43956891234322526,0.0485144952367898,0.049799533959289974,0.2416386813789322
EOS-2-14190,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cn(C(F)F)nn4)n23)cn1,FEFAMPSNWPWHDZ-UHFFFAOYSA-N,2,1,0.449,92,779,439.39,1.59,5,0.371,0.6,1.0,0.3516808306490302,0.37939483243095057,0.07858440134329381,0.06737029675827565,0.21925759029538758
EOS-2-14191,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n(C)n2)no1,GYLHNTCDFMLNFN-UHFFFAOYSA-N,2,1,0.447,92,185,439.386,2.795,5,0.393,0.68,1.0,0.3840895072304846,0.44391234322527584,0.2071739428414776,0.14628024124460284,0.29536400863546025
EOS-2-14192,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)no2)n1C,UVJGWYUYJYZYBS-UHFFFAOYSA-N,2,1,0.494,92,185,439.386,2.795,5,0.393,0.63,1.0,0.3971883352751696,0.4172777739702556,0.17365156603385648,0.13443218422315126,0.28063746487560826
EOS-2-14193,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n(C)n1,WDKUBMBSMOIWCU-UHFFFAOYSA-N,2,1,0.595,36,292,439.386,2.714,5,0.397,0.8,1.0,0.5387053663217052,0.6049105613049139,0.3936587622507025,0.33840209718319514,0.46891919676512916
EOS-2-14194,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnn(C(F)F)c5)n34)cn2)o1,QMWAOTGGFQADGU-UHFFFAOYSA-N,2,1,0.516,92,779,439.386,2.758,5,0.377,0.67,0.991,0.4517767802069769,0.45705400589404427,0.2534182030018505,0.18079638133095743,0.33576134260845725
EOS-2-14195,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nn1C,UEQBBOOPLTUJFP-UHFFFAOYSA-N,2,1,0.597,36,292,439.386,2.714,5,0.397,0.79,1.0,0.48297752038928105,0.5381570831334385,0.397488177643753,0.3415118908916455,0.4400336680145295
EOS-2-14196,Cc1c(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)o2)nnn1C,PBQJLQXQWUYRHE-UHFFFAOYSA-N,2,1,0.489,92,185,439.386,2.795,5,0.393,0.64,0.977,0.40787985744637106,0.3934874237543691,0.15751147967925433,0.11914879035021589,0.2695068878075526
EOS-2-14197,Cn1nc(-c2cocn2)cc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,IUKPUNAAMVQGSV-UHFFFAOYSA-N,2,1,0.654,27,996,439.382,3.36,5,0.38,0.68,1.0,0.4952624905763827,0.6284524707011171,0.6512833253375369,0.552480981426907,0.5818698170104859
EOS-2-14198,Cc1oc(=O)n(C)c1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)nn1C,CGSARGNSZDWDHT-UHFFFAOYSA-N,2,1,0.394,95,956,439.382,2.862,5,0.424,0.53,0.997,0.3401925844698787,0.3168048797203756,0.23905147008429853,0.2765060653827702,0.29313874991433075
EOS-2-14199,Cn1nc(-c2ccc(F)c(F)c2)nc1-c1cncc2nnc(-c3ccc(C(F)F)cc3)n12,QQZIDSMJFORXCJ-UHFFFAOYSA-N,2,1,0.378,22,316,439.376,4.47,5,0.387,0.73,1.0,0.28371084915358785,0.5290247412788706,0.9049842368583373,0.917706120211089,0.6588564868754712
EOS-2-14200,Cc1nn(-c2ccccc2)cc1-c1cncc2nnc(-c3cc(F)cc(C(F)(F)F)n3)n12,NUHHTHPZEDYIPH-UHFFFAOYSA-N,2,1,0.34,22,315,439.376,4.505,5,0.387,0.69,0.88,0.01661126721951888,0.14994688506613665,0.9258789664861902,0.8748115276540334,0.4918121616064698
EOS-2-14201,Cn1c(-c2ccc(F)cc2F)nnc1-c1cncc2nnc(-c3ccc(C(F)F)cc3)n12,YIGCVTBEONBTGQ-UHFFFAOYSA-N,2,1,0.393,22,311,439.376,4.47,5,0.387,0.75,0.999,0.3052480981426907,0.5809146048934275,0.8910972517305188,0.9198135837159893,0.6742683846206565
EOS-2-14202,Cn1nc(-c2cncc(F)c2)cc1-c1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,XBKWPCWSXRCWRT-UHFFFAOYSA-N,2,1,0.346,96,315,439.376,4.412,5,0.39,0.75,1.0,0.22142930573641287,0.4172863408950723,0.9787882941539305,0.9617658145432115,0.6448174388321568
EOS-2-14203,Cn1cc(-c2cccc(-c3cncc4nnc(-c5cc(C(F)(F)F)ccc5F)n34)c2)nn1,XRBICZZSYIGYKH-UHFFFAOYSA-N,2,1,0.34,61,315,439.376,4.412,5,0.39,0.73,1.0,0.1884723459666918,0.4439209101500925,0.9821122609827976,0.9677712288396957,0.6455691864848194
EOS-2-14204,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)nc1F,VYHSDPBBIQVZQN-UHFFFAOYSA-N,2,1,0.462,36,223,439.361,2.373,5,0.384,0.64,0.999,0.5412326091426222,0.5567901446096909,0.4555033925022274,0.5257864436981701,0.5198281474881776
EOS-2-14205,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)nc1F,FLUWYTLGZCUKFF-UHFFFAOYSA-N,2,1,0.402,46,223,439.361,2.373,5,0.384,0.55,0.846,0.5593687889795079,0.4745562332944966,0.4262901788773902,0.414896168871222,0.46877784250565413
EOS-2-14206,Cn1nnnc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1F,QCTSQNPUFBTQEA-UHFFFAOYSA-N,2,1,0.537,73,980,439.361,2.373,5,0.411,0.73,1.0,0.7086388869851278,0.672272291138373,0.5450705914604893,0.5966434788568296,0.6306563121102049
EOS-2-14207,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)cc1F,NDEDFVIUMDZMTA-UHFFFAOYSA-N,2,1,0.506,36,526,439.361,2.373,5,0.411,0.66,1.0,0.6446096909053526,0.6333099170721678,0.46954458227674595,0.522565279967103,0.5675073675553424
EOS-2-14208,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)c(F)c1,RHCKJINVQGFRHV-UHFFFAOYSA-N,2,1,0.489,36,526,439.361,2.373,5,0.411,0.67,1.0,0.5593773559043246,0.6237492289767665,0.47294565142896305,0.5225738468919197,0.5446615208004935
EOS-2-14209,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cc2F)n1,LIJMKOQTDAZLAJ-UHFFFAOYSA-N,2,1,0.5,36,772,439.361,2.373,5,0.411,0.63,1.0,0.7420841614693989,0.657648550476321,0.5844870125419779,0.5938506613665958,0.6445175964635734
EOS-2-14210,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnn(C(F)F)n5)cc4)n23)cn1,KAPYTMHLTJVVPG-UHFFFAOYSA-N,2,1,0.542,36,258,439.361,2.953,5,0.372,0.65,1.0,0.6389469536015352,0.5567987115345076,0.5146665752861352,0.4528647796586937,0.5408192550202179
EOS-2-14211,Fc1ccnnc1COc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)c4)nc3)n12,NFAXHUYTHORWOJ-UHFFFAOYSA-N,2,1,0.426,92,468,439.361,2.953,5,0.397,0.67,1.0,0.4308477828798574,0.5615704886573916,0.6425707627989857,0.5689380439997258,0.5509817695839901
EOS-2-14212,Cn1nc(-c2ncc(F)cn2)nc1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,GQURECLLNXCQGK-UHFFFAOYSA-N,2,1,0.518,73,82,439.361,2.373,5,0.411,0.68,0.994,0.690425604824892,0.7114145706257282,0.21401034884517853,0.3163765334795422,0.4830567644438353
EOS-2-14213,FC(F)(F)c1cn(-c2ccc(COc3cncc4nnc(-c5cccnc5)n34)nc2)nn1,ZIRJTZAUQANFJZ-UHFFFAOYSA-N,2,1,0.529,27,69,439.361,2.76,5,0.411,0.69,1.0,0.2541977931601672,0.3888955520526352,0.7675536289493523,0.5907237338085121,0.5003426769926667
EOS-2-14214,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)cc1F,RDYXKOWXTDGLGG-UHFFFAOYSA-N,2,1,0.517,37,6,439.361,2.405,5,0.428,0.68,1.0,0.8408094030566787,0.8188609416763758,0.6186433417860325,0.6355544513741347,0.7284670344733055
EOS-2-14215,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)c4)n23)cn1,OBNDQKVPNJDJJY-UHFFFAOYSA-N,2,1,0.552,27,51,439.361,2.964,5,0.444,0.74,1.0,0.7885597285998218,0.7114231375505449,0.867212665341649,0.7286426564320472,0.7739595469810157
EOS-2-14216,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)nc1F,QTLZLIFBLFAYAQ-UHFFFAOYSA-N,2,1,0.394,46,564,439.361,2.373,5,0.384,0.56,0.795,0.5707713659104928,0.4616544445205949,0.48683263655678155,0.48063874991433075,0.49997429922555
EOS-2-14217,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nncn5C(F)F)nc4)n23)nc1,VEFLBBWCSHKUCJ-UHFFFAOYSA-N,2,1,0.484,27,185,439.361,2.953,5,0.397,0.71,1.0,0.5412411760674388,0.6003272565279967,0.612595092865465,0.5656140771708588,0.5799444006579397
EOS-2-14218,FC(F)(F)COc1ncc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,DIARKTOQJFOKFL-UHFFFAOYSA-N,2,1,0.368,47,478,439.361,2.974,5,0.444,0.65,1.0,0.4399030224110753,0.4261188403810568,0.7938283873620725,0.6237149612774998,0.5708913028579261
EOS-2-14219,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)c(F)c5)n34)cn2)n1,GXWVPCGETSQGBK-UHFFFAOYSA-N,2,1,0.388,22,649,439.361,2.784,5,0.411,0.73,1.0,0.3330392022479611,0.5426889863614557,0.6425793297238024,0.6265077787677336,0.5362038242752382
EOS-2-14220,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccnc(C(F)(F)F)n4)n23)nc1,RZYFNIRTTIHHQQ-UHFFFAOYSA-N,2,1,0.333,51,243,439.361,3.188,5,0.42,0.63,1.0,0.6661726406689055,0.595598314029196,0.587605373175245,0.37054519909533273,0.5549803817421698
EOS-2-14221,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nn4)n23)n1,FTUCONOFPLGGQW-UHFFFAOYSA-N,2,1,0.424,53,670,439.361,2.953,5,0.372,0.66,0.999,0.3771759989034336,0.41256596532108836,0.5973116989925297,0.5294873552189706,0.47913525460900563
EOS-2-14222,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)nc1,MKZWWTBDEMHVLI-UHFFFAOYSA-N,2,1,0.411,51,196,439.361,2.953,5,0.397,0.73,1.0,0.47313412377492975,0.5660852580357755,0.5940562675621959,0.502681447467617,0.5339892742101295
EOS-2-14223,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,DIFBBASMBVJTHA-UHFFFAOYSA-N,2,1,0.481,61,917,439.361,2.942,5,0.421,0.8,1.0,0.39072030703858546,0.4878863683092317,0.8147916523884586,0.7498629292029333,0.6108153142348023
EOS-2-14224,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2F)n1,MJUYUAJHNFNKPR-UHFFFAOYSA-N,2,1,0.529,36,610,439.361,2.373,5,0.411,0.64,1.0,0.5760571585223768,0.6625059968473717,0.541806593105339,0.5524895483517237,0.5832148242067028
EOS-2-14225,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)nc1,AKSDZZCAIKHMKP-UHFFFAOYSA-N,2,1,0.56,27,499,439.361,2.964,5,0.444,0.71,1.0,0.602100609965047,0.6380816941950518,0.8993557672537866,0.7960043862655062,0.7338856144198479
EOS-2-14226,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ncco5)nc4)n23)cn1,HCGIQTDXDXCBPZ-UHFFFAOYSA-N,2,1,0.575,27,786,439.357,3.834,5,0.407,0.67,1.0,0.8453413062846961,0.7251216503323967,0.8935302583784525,0.7314783085463642,0.7988678808854773
EOS-2-14227,Oc1ccc(F)cc1-n1ncc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,WGUQCCZNUJZGKL-UHFFFAOYSA-N,2,1,0.442,22,121,439.357,3.485,5,0.447,0.74,0.998,0.2752638612843534,0.6146768555959153,0.847251730518813,0.8374426016037283,0.6436587622507025
EOS-2-14228,Cc1nc(-c2ccc(COc3cncc4nnc(-c5c(F)ccc(F)c5F)n34)cn2)no1,ZLAMPGJWRHRPSY-UHFFFAOYSA-N,2,1,0.512,73,877,439.357,3.541,5,0.383,0.66,1.0,0.7210694948941128,0.6870159687478583,0.6484733739976698,0.6294291001302172,0.6714969844424645
EOS-2-14229,Cc1nc(-c2ccc(COc3cncc4nnc(-c5c(F)cc(F)cc5F)n34)cn2)no1,OBCHTDHULGZYPZ-UHFFFAOYSA-N,2,1,0.518,73,877,439.357,3.541,5,0.41,0.74,1.0,0.7086474539099444,0.687024535672675,0.630182989514084,0.617932287026249,0.6609468165307382
EOS-2-14230,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1-c1nnco1,QLMATJAIEUPPQP-UHFFFAOYSA-N,2,1,0.512,27,69,439.357,3.892,5,0.393,0.71,1.0,0.8565896785689808,0.8035347131793571,0.8713162223288329,0.8024724145020903,0.8334782571448153
EOS-2-14231,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnoc5)nc4)n23)cn1,JQIHMYFUSCSXPZ-UHFFFAOYSA-N,2,1,0.56,27,430,439.357,3.834,5,0.407,0.72,1.0,0.7997824001096566,0.6530224110753204,0.9308649167294908,0.815579809471592,0.7998123843465149
EOS-2-14232,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc(-c2nnco2)c1,KFWGUDSHJSACFA-UHFFFAOYSA-N,2,1,0.483,27,69,439.357,3.892,5,0.393,0.71,1.0,0.8053080666164074,0.7740559248852033,0.869945514358166,0.802480981426907,0.8129476218216709
EOS-2-14233,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(F)cc4O)n23)c(F)c1,KUEFQVCBJBVPSG-UHFFFAOYSA-N,2,1,0.448,13,252,439.357,3.502,5,0.457,0.59,1.0,0.6021091768898637,0.701956685628127,0.7985658967856898,0.7774312932629703,0.7200157631416627
EOS-2-14234,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4noc(-c5ccccn5)n4)n23)cc1,FEFJYVAELBSZJN-UHFFFAOYSA-N,2,1,0.494,27,679,439.357,3.834,5,0.407,0.85,1.0,0.7481666780892331,0.667346309368789,0.8394129943115619,0.747344253306833,0.7505675587691042
EOS-2-14235,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)no2)c1,XBTLECKPNBEIKE-UHFFFAOYSA-N,2,1,0.483,27,343,439.357,3.892,5,0.393,0.74,1.0,0.7629531903228017,0.6968679322870263,0.7603831128778014,0.7422469330409156,0.7406127921321362
EOS-2-14236,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)c1,IRVIYKRBCXBAJA-UHFFFAOYSA-N,2,1,0.463,19,442,439.357,3.275,5,0.371,0.63,0.999,0.8131039681995751,0.6820385854293742,0.689628880816942,0.7016996778836269,0.7216177780823796
EOS-2-14237,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)nc2)no1,ZLMWDGFHIMZFOL-UHFFFAOYSA-N,2,1,0.512,73,71,439.357,3.541,5,0.383,0.71,1.0,0.6329586731546843,0.7114317044753615,0.695043177301076,0.652671167157837,0.6730261805222397
EOS-2-14238,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)cn2)no1,AHKOSTBGFGZHIZ-UHFFFAOYSA-N,2,1,0.511,73,772,439.357,3.541,5,0.383,0.68,1.0,0.7481752450140498,0.7205469124802961,0.6924816667808923,0.6526797340826537,0.703470889589473
EOS-2-14239,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)on2)ccn1,BXEZROMZHNAWIV-UHFFFAOYSA-N,2,1,0.467,27,430,439.357,3.892,5,0.367,0.64,0.964,0.7389143992872319,0.7344938660818313,0.8293725584264272,0.7446285381399493,0.76185234048386
EOS-2-14240,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1,UTLBKYHCGJWGHI-UHFFFAOYSA-N,2,1,0.56,27,22,439.357,3.834,5,0.407,0.69,1.0,0.7177797957645123,0.6820471523541909,0.9423188952093756,0.862389486669865,0.801133832499486
EOS-2-14241,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnc5)o4)n23)cc1,SOLAFTZOLNUUTI-UHFFFAOYSA-N,2,1,0.506,27,676,439.357,3.834,5,0.407,0.78,1.0,0.7511308340758002,0.7482180796381331,0.8877732849016517,0.804622712631074,0.7979362278116647
EOS-2-14242,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)cc1,PGIDMSLCNARMRE-UHFFFAOYSA-N,2,1,0.453,27,51,439.357,3.834,5,0.407,0.74,1.0,0.7997909670344733,0.5809231718182442,0.9435353985333425,0.8735093550818998,0.79943972311699
EOS-2-14243,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)cc1F,JIXPAWIALXLUPP-UHFFFAOYSA-N,2,1,0.595,19,442,439.357,3.275,5,0.371,0.63,0.998,0.8950209032965527,0.7251302172572134,0.7130422863408951,0.7071739428414776,0.7600918374340346
EOS-2-14244,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cc2F)no1,NTCRQAZXKFQVQP-UHFFFAOYSA-N,2,1,0.512,73,526,439.357,3.541,5,0.41,0.72,1.0,0.7742700980056199,0.7067969981495442,0.6362655061339182,0.6265163456925502,0.6859622369954081
EOS-2-14245,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cc2F)o1,YSJILQALYFCMNH-UHFFFAOYSA-N,2,1,0.506,4,526,439.357,3.541,5,0.41,0.72,1.0,0.745125419779316,0.7160749777259955,0.6598245493797547,0.6413713933246522,0.6905990850524296
EOS-2-14246,Fc1cc(-c2nnc3cncc(-c4cnnc(-c5cnccn5)n4)n23)cc(C(F)(F)F)c1,DSYWQTKTZQKYBC-UHFFFAOYSA-N,2,1,0.338,50,243,439.336,3.258,5,0.394,0.6,0.7,0.31804708381879243,0.4974299225549997,0.9146048934274553,0.8831985470495511,0.6533201117126997
EOS-2-14247,Cc1ccc(-c2nnc3cncc(-c4sccc4Cl)n23)c(-c2ccc(Cl)nc2)n1,GDEYKDWKRHSOCR-UHFFFAOYSA-N,2,1,0.321,50,155,439.331,5.592,5,0.343,0.71,0.994,0.22428209170036323,0.412574532245905,0.6733003221163731,0.7960129531903228,0.526542474813241
EOS-2-14248,Cc1cc(-c2nnc3cncc(-c4csc(-c5ccc(Cl)nc5)n4)n23)ccc1Cl,FKJVANLDRZLVQR-UHFFFAOYSA-N,2,1,0.351,96,140,439.331,5.592,5,0.343,0.8,1.0,0.1827753409636077,0.4439294770749092,0.7650692207525187,0.8539339318758139,0.5614269926667124
EOS-2-14249,Fc1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)cc1C(F)(F)F,LPFZDKNAAGSUTQ-UHFFFAOYSA-N,2,1,0.615,68,255,439.319,4.861,4,0.416,0.77,1.0,0.955666164073744,0.945300185045576,0.9988605989993832,0.9958022068398328,0.973907288739634
EOS-2-14250,Fc1cc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)c(Cl)c5)n4)n23)ccc1Cl,MWBBQCBPDGHPLW-UHFFFAOYSA-N,2,1,0.36,45,730,460.687,5.138,5,0.373,0.67,1.0,0.14108011788088548,0.5063737920636009,0.9324240970461243,0.9757127681447467,0.6388976937838393
EOS-2-14251,Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1-c1ccc(F)c(Cl)c1,JKYBLUSVNPMIES-UHFFFAOYSA-N,2,1,0.435,45,102,439.281,5.305,5,0.383,0.77,1.0,0.2649492838050853,0.5705229250908094,0.9340261119868412,0.9672829141251457,0.6841953087519704
EOS-2-14252,Cn1cc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(-c2cccc(Cl)c2)n1,XJXUZMOYPOPUEH-UHFFFAOYSA-N,2,1,0.402,45,46,439.281,5.305,5,0.383,0.71,1.0,0.21073778356521145,0.5290333082036872,0.9089935576725379,0.9563857857583442,0.6512876087999452
EOS-2-14253,Cn1cc(-c2ccc(Cl)cc2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,MTNKHLMVRSXUES-UHFFFAOYSA-N,2,1,0.405,45,730,439.281,5.305,5,0.383,0.76,1.0,0.27283942156123636,0.570531492015626,0.8804913988074841,0.9455229250908094,0.6673463093687889
EOS-2-14254,Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1-c1ccc(Cl)c(F)c1,ORCABGRHXRFGMB-UHFFFAOYSA-N,2,1,0.435,45,102,439.281,5.305,5,0.383,0.79,1.0,0.262302104036735,0.5660938249605921,0.9347457336714413,0.9672914810499623,0.6826082859296827
EOS-2-14255,Cn1ncc(-c2nnc3cncc(-c4ccccc4Cl)n23)c1-c1ccc(Cl)c(F)c1,UYCYGSQEAOEWEB-UHFFFAOYSA-N,2,1,0.384,45,102,439.281,5.305,5,0.383,0.78,1.0,0.2242906586251799,0.4261274073058735,0.9136196970735385,0.9617743814680282,0.631453036118155
EOS-2-14256,Cc1cc(-c2nnc3cncc(-c4cnn(-c5ccc(F)c(Cl)c5)c4)n23)ccc1Cl,RBLLPDWHNFECCS-UHFFFAOYSA-N,2,1,0.34,45,102,439.281,5.398,5,0.378,0.81,1.0,0.048660132958673157,0.3839695702830512,0.9601637996024946,0.9764837913782468,0.5923193235556165
EOS-2-14257,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5Cl)n34)cc2)o1,JJKQKTGUUZWMRM-UHFFFAOYSA-N,2,1,0.333,96,558,439.277,6.473,5,0.302,0.83,1.0,0.39933863340415326,0.6333184839969844,0.9783342471386471,0.9853676924131314,0.749089764238229
EOS-2-14258,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1,FXMMGHIIJMYXNR-UHFFFAOYSA-N,2,1,0.561,13,941,439.266,4.081,5,0.416,0.81,1.0,0.47560996504694675,0.7609399629908848,0.52475841272017,0.6849170721677746,0.6115563532314441
EOS-2-14259,Cn1nc(-c2ncc(Cl)cn2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,GEMSDXAALLCVSX-UHFFFAOYSA-N,2,1,0.507,73,706,439.266,4.081,5,0.416,0.74,1.0,0.5936279213213624,0.729704955109314,0.4112466588993215,0.5361609896511548,0.5676851312452882
EOS-2-14260,Clc1ccc(-c2nnc3cncc(OCc4nnn(-c5ccccc5Cl)n4)n23)cc1,HFHKQGDRSGRXFT-UHFFFAOYSA-N,2,1,0.556,34,612,439.266,3.653,5,0.413,0.69,1.0,0.5679956822698924,0.7868035090124049,0.32639983551504353,0.5720307038585429,0.563307432663971
EOS-2-14261,Cn1nc(-c2ccc(Cl)nn2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,RNGASCZDMFVHOL-UHFFFAOYSA-N,2,1,0.494,34,706,439.266,4.081,5,0.416,0.78,1.0,0.6274073058734837,0.7825800150777876,0.48684120348159826,0.5996076348433966,0.6241090398190666
EOS-2-14262,Clc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)nc5)n4)n23)cc1,DZPZCQSGCXJOSH-UHFFFAOYSA-N,2,1,0.554,34,975,439.266,3.653,5,0.386,0.75,1.0,0.5565502707148242,0.6919676512918923,0.490122335686382,0.6265249126173669,0.5912912925776164
EOS-2-14263,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)nn4)n23)cc1,DQKARCJEQMPLFZ-UHFFFAOYSA-N,2,1,0.562,34,32,439.266,3.653,5,0.413,0.72,0.998,0.4879634706325817,0.7868120759372216,0.4729542183537797,0.6209564114865328,0.5921715441025289
EOS-2-14264,Clc1cc(Cl)cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nn4)n23)c1,VCLQMJADPREAPQ-UHFFFAOYSA-N,2,1,0.658,4,208,439.266,3.653,5,0.413,0.67,1.0,0.28089233088890414,0.47910527037214723,0.4901309026111987,0.6151823041600987,0.46632770200808715
EOS-2-14265,Clc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cnc1Cl,GFJHIRYHRNYRDD-UHFFFAOYSA-N,2,1,0.536,55,547,439.266,3.653,5,0.386,0.58,1.0,0.3655849496264821,0.5244928380508532,0.5908094030566787,0.6413799602494689,0.5305667877458707
EOS-2-14266,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c(Cl)c1,SELDKDRFVKFSSB-UHFFFAOYSA-N,2,1,0.582,43,499,439.266,3.857,5,0.443,0.79,1.0,0.8589455828935645,0.8539767664998972,0.7465132615996162,0.8174816667808923,0.8192293194434924
EOS-2-14267,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5nn[nH]n5)c4)n23)cc1,TYVHVRBAUBMRGW-UHFFFAOYSA-N,2,1,0.68,34,6,439.266,3.857,5,0.443,0.82,1.0,0.9285775478034405,0.9486070180248098,0.7182252758549791,0.8215766568432595,0.8542466246316223
EOS-2-14268,Cn1nnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)cc1,ZDLPLNLFRKFVOL-UHFFFAOYSA-N,2,1,0.743,61,941,439.266,4.081,5,0.416,0.81,1.0,0.5936364882461792,0.691976218216709,0.5940648344870125,0.7155009937632787,0.6487946336782948
EOS-2-14269,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)nn5)cn4)n23)cc1,QNPTWZLHQZNCIE-UHFFFAOYSA-N,2,1,0.58,4,32,439.266,3.653,5,0.413,0.65,1.0,0.40564389006922075,0.6722808580631896,0.5553851689397574,0.6526883010074703,0.5714995545199095
EOS-2-14270,Clc1ccc(-c2nnc3cncc(OCc4nnn(-c5ccc(Cl)cc5)n4)n23)cc1,HBZKEWIZUGSKBB-UHFFFAOYSA-N,2,1,0.584,34,612,439.266,3.653,5,0.413,0.68,1.0,0.5412497429922555,0.7482266465629498,0.39366732917551917,0.6179408539510657,0.5752711431704476
EOS-2-14271,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)cc1-c1cnc(Cl)nc1,MBQCTJLTQBODTO-UHFFFAOYSA-N,2,1,0.512,95,956,439.266,4.081,5,0.39,0.71,0.999,0.4056524569940374,0.40781988897265437,0.5283393872935371,0.6294376670550339,0.4928123500788157
EOS-2-14272,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4Cl)n23)c1,WAGLWLQINVRUCH-UHFFFAOYSA-N,2,1,0.489,16,772,439.266,3.857,5,0.443,0.65,1.0,0.6785090124049071,0.6919847851415256,0.7340483859913646,0.8046312795558906,0.727293365773422
EOS-2-14273,Clc1ccc(-c2nnc3cncc(OCc4n[nH]c(-c5ccccn5)n4)n23)c(Cl)c1,UJLCIJFLGRSNAE-UHFFFAOYSA-N,2,1,0.5,34,446,439.266,3.857,5,0.443,0.68,1.0,0.6189860187786992,0.7740644918100199,0.40808546364197107,0.5816256596532109,0.5956904084709752
EOS-2-14274,Cn1nnnc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)cc1,QPIBKMFPCRWPIB-UHFFFAOYSA-N,2,1,0.597,61,941,439.266,4.081,5,0.416,0.78,1.0,0.4756185319717634,0.6722894249880063,0.5652285655541087,0.6988554588444932,0.6029979953395929
EOS-2-14275,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4Cl)n23)n1,AXEYBMGHVBMFDQ-UHFFFAOYSA-N,2,1,0.411,47,446,439.266,3.857,5,0.415,0.65,1.0,0.6477109176889864,0.7655489685422521,0.5518727297649236,0.652696867932287,0.6544573709821123
EOS-2-14276,Clc1ccc(-n2nnnc2COc2cncc3nnc(-c4ccccc4Cl)n23)cc1,LDVHTQRDZJTABO-UHFFFAOYSA-N,2,1,0.512,34,612,439.266,3.653,5,0.413,0.75,1.0,0.370125419779316,0.6673548762936057,0.38267596463573433,0.6355630182989515,0.5139298197519019
EOS-2-14277,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nc5)no4)n23)cc1,AHVJABXQGBGICM-UHFFFAOYSA-N,2,1,0.615,97,232,439.262,4.727,5,0.366,0.79,1.0,0.8997669796449866,0.8978822561853197,0.7791104105270372,0.837451168528545,0.8535527037214722
EOS-2-14278,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)c1Cl,WCYKYKDGZZFTDI-UHFFFAOYSA-N,2,1,0.524,97,666,439.262,4.727,5,0.391,0.69,1.0,0.8453498732095127,0.7437461448838325,0.8237269549722431,0.8433880474264958,0.814052755123021
EOS-2-14279,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)o5)n34)c2)nn1,TWPHAKRQYMFPSY-UHFFFAOYSA-N,2,1,0.524,72,613,439.262,4.727,5,0.391,0.74,1.0,0.6962853813994928,0.7437547118086492,0.7650777876773354,0.8111250085669248,0.7540607223631004
EOS-2-14280,Clc1cccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)o5)n4)n23)c1,XOMRIOZVVUXUFS-UHFFFAOYSA-N,2,1,0.535,4,401,439.262,4.727,5,0.391,0.8,1.0,0.5492084161469399,0.7114402714001782,0.710360838873278,0.7960215201151395,0.6917577616338839
EOS-2-14281,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccco5)n4)n23)cc1Cl,PCEREMWUAASRAW-UHFFFAOYSA-N,2,1,0.566,4,391,439.262,4.727,5,0.391,0.78,1.0,0.8334846823384278,0.9092334315674045,0.7003461037625934,0.7627904187512851,0.8014636591049277
EOS-2-14282,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(Cl)nc5)o4)n23)cc1,FTMKELWQSDKAJK-UHFFFAOYSA-N,2,1,0.597,97,744,439.262,4.727,5,0.366,0.74,1.0,0.8803457610856007,0.9188112535124392,0.7513964087451168,0.8111335754917415,0.8404217497087245
EOS-2-14283,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)cc1,SARFKZSOVYXLCN-UHFFFAOYSA-N,2,1,0.608,34,929,439.262,4.727,5,0.391,0.79,1.0,0.8210112398053595,0.8744003152628332,0.6362740730587348,0.7799756699335206,0.777915324515112
EOS-2-14284,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5nnco5)ccc4Cl)n23)cc1,NJQIUUQKXYKACJ-UHFFFAOYSA-N,2,1,0.632,43,372,439.262,4.727,5,0.391,0.76,1.0,0.9258961003358235,0.9586645877595779,0.8507984373929134,0.8914484956480022,0.9067019052840792
EOS-2-14285,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccco5)c4)n23)cc1Cl,YQNGOJLYJVDQQC-UHFFFAOYSA-N,2,1,0.554,59,389,439.262,4.727,5,0.391,0.75,1.0,0.9062264409567542,0.915255979713522,0.8128298266054417,0.8555530806661641,0.8724663319854704
EOS-2-14286,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5cccc(Cl)c5)o4)n23)cc1,CMSNKDKBARWEPQ-UHFFFAOYSA-N,2,1,0.562,34,372,439.262,4.727,5,0.391,0.85,1.0,0.8155455417723254,0.9372387087930917,0.6362826399835515,0.7820231649647043,0.7927725138784182
EOS-2-14287,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(Cl)c5)o4)n23)cc1,ULZBVCXDYUHZNN-UHFFFAOYSA-N,2,1,0.561,97,744,439.262,4.727,5,0.366,0.74,1.0,0.8613957233911316,0.922580700431773,0.7514049756699335,0.8133781097937085,0.8371898773216366
EOS-2-14288,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)cc1,ODTOGNJIKFJFCG-UHFFFAOYSA-N,2,1,0.6,34,372,439.262,4.727,5,0.391,0.81,1.0,0.8287900075388939,0.947519018573093,0.6539647728051539,0.7912668768418888,0.8053851689397573
EOS-2-14289,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccccc5Cl)n34)o2)cc1,HHFDXUJJTCFENK-UHFFFAOYSA-N,2,1,0.556,34,372,439.262,4.727,5,0.391,0.85,1.0,0.6274158727983004,0.8744088821876499,0.6126036597902816,0.7678192036186691,0.7205619045987253
EOS-2-14290,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,BCXJPJPSWSCFFP-UHFFFAOYSA-N,2,1,0.411,96,46,439.262,4.824,5,0.396,0.74,1.0,0.6189945857035158,0.6968764992118429,0.8254317730107601,0.8487766431361798,0.7475198752655747
EOS-2-14291,Clc1ccc(-c2nnc3cncc(OCc4conc4-c4ccc(Cl)nc4)n23)cc1,NMZOHXXQDWZZDW-UHFFFAOYSA-N,2,1,0.615,97,232,439.262,4.727,5,0.366,0.66,1.0,0.8500702487834967,0.860196353916798,0.765086354602152,0.8354550750462614,0.8277020080871771
EOS-2-14292,Fc1ccc(-c2nnc3cncc(-c4cc(-c5cnc(Cl)nn5)ccc4Cl)n23)nc1,AQPZBAOHQXPFML-UHFFFAOYSA-N,2,1,0.288,22,844,439.241,4.151,5,0.417,0.71,1.0,0.32539750531149336,0.417294907819889,0.7364042903159482,0.8523918854088136,0.582872147214036
EOS-2-14293,Fc1ncc(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,YYSJDECTFUBBLF-UHFFFAOYSA-N,2,1,0.437,22,844,439.241,4.151,5,0.39,0.81,0.96,0.3771845658282503,0.6870331025974916,0.7340569529161812,0.867212665341649,0.6663718216708929
EOS-2-14294,Fc1cc(-c2nnc3cncc(-c4cnnc(-c5ccnc(Cl)c5)n4)n23)ccc1Cl,JHDPIUZFVTWJID-UHFFFAOYSA-N,2,1,0.367,22,844,439.241,4.151,5,0.39,0.8,1.0,0.40144609690905353,0.6426050304982523,0.7766945377287369,0.8817764375299842,0.6756305256665067
EOS-2-14295,Fc1cc(Cl)cnc1-c1nnc2cncc(-c3ccc(-c4ccnc(Cl)n4)cn3)n12,RUGGHZGYUBQZAX-UHFFFAOYSA-N,2,1,0.268,50,155,439.241,4.151,5,0.39,0.72,1.0,0.344981495442396,0.5245014049756699,0.6395637721883353,0.7627989856761017,0.5679614145706258
EOS-2-14296,Fc1cnc(-c2cc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)ccc2Cl)cn1,XXKXKRFFOUYBTQ-UHFFFAOYSA-N,2,1,0.384,73,261,439.241,4.151,5,0.417,0.75,1.0,0.39288773901720236,0.5956068809540127,0.6950517442258927,0.8215852237680762,0.626282896991296
EOS-2-14297,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3c(Cl)ccc(F)c3F)n12,PJWLXIJKYWEQFV-UHFFFAOYSA-N,2,1,0.736,23,627,439.224,5.137,4,0.405,0.76,1.0,0.9912360359125488,0.9958707422383661,0.9882119114522651,0.9955880337194161,0.992726680830649
EOS-2-14298,Fc1cc(Cl)ccc1-c1nnc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)o1,UNLUHNCEVSAGOV-UHFFFAOYSA-N,2,1,0.373,45,574,460.778,5.32,5,0.339,0.73,0.998,0.5053800287848674,0.8074412308957577,0.9886830923171819,0.9878092659858817,0.8223284044959221
EOS-2-14299,Fc1cc(C(F)F)ccc1-c1nnc2cncc(-c3c(F)cc(-c4nnco4)cc3Cl)n12,PNZYAJIXMXPQQF-UHFFFAOYSA-N,2,1,0.333,45,730,460.778,5.378,5,0.335,0.66,1.0,0.38638544308135153,0.6870416695223083,0.9860273456240148,0.9881262422040984,0.7618951751079432
EOS-2-14300,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)o2)cc1Cl,NRQBFPOHKGIUKS-UHFFFAOYSA-N,2,1,0.359,45,730,460.778,5.378,5,0.335,0.73,0.981,0.3907288739634021,0.7068055650743609,0.9759869097388801,0.9828832842162977,0.7641011582482352
EOS-2-14301,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4nnco4)c(Cl)c3)n12,MBWAOTGKUQXETQ-UHFFFAOYSA-N,2,1,0.344,45,315,460.778,5.32,5,0.339,0.75,1.0,0.4679854019601124,0.7525872112946337,0.9942601603728326,0.9938489479816325,0.8021704304023028
EOS-2-14302,Fc1ccc(F)c(Cn2nnc(-c3cncc4nnc(-c5c(F)ccc(Cl)c5F)n34)n2)c1,WTHHJCSKCJDRRF-UHFFFAOYSA-N,2,1,0.308,22,221,460.782,3.703,5,0.3,0.61,1.0,0.2381862106778151,0.407828455897471,0.8108680008224248,0.9177146871359056,0.5936493386334042
EOS-2-14303,Fc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5Cl)n34)cn2)n1,QVJQQNYMMDRKEJ-UHFFFAOYSA-N,2,1,0.355,50,243,460.782,4.245,5,0.374,0.75,1.0,0.055068192721540676,0.3794033993557673,0.9791224042217805,0.9720461243232129,0.5964100301555754
EOS-2-14304,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(Cl)c1,QMUSHOOFDZATPH-UHFFFAOYSA-N,2,1,0.59,90,255,439.209,4.069,4,0.448,0.62,1.0,0.9109039819066548,0.9558632033445275,0.904992803783154,0.9209358508669728,0.9231739599753274
EOS-2-14305,Fc1c(-c2nnco2)ccc(-c2nnc3cncc(-c4cccc(-c5nnco5)c4)n23)c1Cl,SYZKGZJOSUTBJF-UHFFFAOYSA-N,2,1,0.333,3,340,460.816,4.351,6,0.378,0.56,1.0,0.3254060722363101,0.44841854567884315,0.6733088890411898,0.718173874306079,0.5413268453156055
EOS-2-14306,Fc1cc(Cl)ccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)o1,VAMVRYLORVVNDD-UHFFFAOYSA-N,2,1,0.373,3,641,460.816,4.351,6,0.378,0.71,1.0,0.36089027482694813,0.6049191282297307,0.5518812966897403,0.6441984785141526,0.5404722945651429
EOS-2-14307,Fc1ccccc1-c1nnc(-c2nnc(-c3cncc4nnc(-c5ccccc5Cl)n34)o2)o1,GRSHSFAXEABIGD-UHFFFAOYSA-N,2,1,0.477,3,641,460.816,4.351,6,0.378,0.76,0.418,0.33785381399492836,0.5568072784593242,0.2934257418956891,0.4988605989993832,0.4217368583373312
EOS-2-14308,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4cccnc4-c4nnco4)n23)nn1,UQWHVRKFYWRLKB-UHFFFAOYSA-N,2,1,0.28,10,872,460.82,3.277,6,0.389,0.45,0.929,0.03030121307655404,0.16162360359125488,0.31555410869714207,0.465415324515112,0.24322356247001575
EOS-2-14309,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4cnc(-c5nc[nH]n5)nc4)n23)nn1,UGSXBZTUCJGEIK-UHFFFAOYSA-N,2,1,0.261,50,872,460.824,2.407,6,0.419,0.57,0.977,0.03538996641765472,0.17386573915427317,0.1897231169899253,0.3286186690425605,0.18189937290110342
EOS-2-14310,Fc1cc(-c2nnc3cncc(-c4cnnc(Br)c4)n23)ccc1C(F)(F)F,WWZGIQXRYDHLHS-UHFFFAOYSA-N,2,1,0.368,66,861,439.17,4.169,4,0.439,0.73,1.0,0.4656723322596121,0.6333270509218011,0.9934977040641492,0.988134809128915,0.7701579740936193
EOS-2-14311,N#Cc1cccc(-c2ncc(Cl)c(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)c1,PKGJNLNZKHOKNO-UHFFFAOYSA-N,2,1,0.368,82,243,460.835,4.773,5,0.38,0.77,1.0,0.4078884243711877,0.5862175313549448,0.8804999657323007,0.8861541361113014,0.6901900143924337
EOS-2-14312,O=[N+]([O-])c1cccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,DRCMMCOTDKPCEI-UHFFFAOYSA-N,2,1,0.462,55,879,460.841,3.784,5,0.274,0.73,1.0,0.7629617572476184,0.4703070385854294,0.33011788088547733,0.22938797889109724,0.4481936639024056
EOS-2-14313,COc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(C#N)cn5)no4)n23)ccc1Cl,OTVBSUUKGQQMJG-UHFFFAOYSA-N,2,1,0.494,16,67,460.841,3.349,5,0.37,0.77,1.0,0.8657648550476321,0.8441248029607292,0.4968645055170996,0.46239976697964497,0.6672884826262765
EOS-2-14314,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)n5)nc4)n23)cc1,XSVMYMYRVAPRKQ-UHFFFAOYSA-N,2,1,0.528,97,770,460.841,3.784,5,0.21,0.71,1.0,0.9014375299842369,0.5245099719004866,0.34102357617709544,0.20873312315811116,0.4939260503049825
EOS-2-14315,Cn1cnnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)o1,XQXXNTUFKSDBHE-UHFFFAOYSA-N,2,1,0.383,67,789,460.845,3.411,6,0.41,0.58,1.0,0.5542200671646905,0.5381656500582551,0.2106606812418614,0.22034987320951271,0.38084906791858
EOS-2-14316,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)s4)n23)nc1Cl,QGSFAMPMOXKZRE-UHFFFAOYSA-N,2,1,0.409,46,223,460.857,3.554,5,0.37,0.58,0.783,0.3928963059420191,0.4923583030635323,0.5076416969364677,0.5559591529024741,0.48721386471112327
EOS-2-14317,Cn1nc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)nc1CC#N,YZKIGEUDCYMWRI-UHFFFAOYSA-N,2,1,0.462,13,145,460.86,4.238,5,0.386,0.62,1.0,0.4731426906997464,0.6098536769241313,0.5384055239531218,0.6209649784113495,0.5605917174970872
EOS-2-14318,Cn1nccc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)ccc1F,UTWXMYHEUVYDMD-UHFFFAOYSA-N,2,1,0.506,4,32,460.86,3.83,5,0.392,0.72,0.992,0.5847611541361113,0.7825885820026044,0.7650949215269687,0.7628075526009184,0.7238130525666506
EOS-2-14319,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1-c1ccc(C#N)cn1,CRMLLDHKBRTZTH-UHFFFAOYSA-N,2,1,0.561,95,998,460.86,3.83,5,0.392,0.67,0.999,0.5492169830717566,0.5521811390583237,0.7813378109793708,0.8003221163731067,0.6707645123706395
EOS-2-14320,Cn1cc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c3cccn3n2)cn1,NDQDWCHYUTUFFT-UHFFFAOYSA-N,2,1,0.435,13,374,460.86,4.424,6,0.387,0.6,0.998,0.49775546569803303,0.72513878418203,0.7287454595298472,0.7678277705434857,0.679866869988349
EOS-2-14321,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cc1-c1ccc(Cl)c(C#N)c1,OWVQQXVJUBFSNP-UHFFFAOYSA-N,2,1,0.43,95,965,460.86,3.83,5,0.392,0.65,1.0,0.4879720375573984,0.49743848947981634,0.8045284764580906,0.817490233705709,0.6518573093002535
EOS-2-14322,Cn1c(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)cnc1C#N,OKAQRTMISDXQEK-UHFFFAOYSA-N,2,1,0.494,16,772,460.86,3.83,5,0.392,0.63,1.0,0.8311030772393941,0.8035432801041738,0.7767031046535535,0.770295044890686,0.7954111267219519
EOS-2-14323,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1-c1cncc(C#N)c1,KZIVWQUNGOZPLQ-UHFFFAOYSA-N,2,1,0.553,95,998,460.86,3.83,5,0.392,0.65,1.0,0.5152919607977521,0.5198923994243027,0.8293811253512439,0.839464395860462,0.6760074703584402
EOS-2-14324,Cc1nnc(-c2ccc(F)c(Oc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)c2)n1C,KKAMBEXCQSODDQ-UHFFFAOYSA-N,2,1,0.448,13,374,460.86,4.352,5,0.392,0.71,1.0,0.5964293057364128,0.8304519909533274,0.7261068466863135,0.7524672743472003,0.7263638544308135
EOS-2-14325,Clc1nnc(-c2ccc(-c3cncc4nnc(-c5scnc5-c5ccccn5)n34)nn2)o1,LJUTZEWYSKPKDC-UHFFFAOYSA-N,2,1,0.324,76,935,460.87,3.47,6,0.384,0.6,1.0,0.18558529230347476,0.2915153176615722,0.03917654718662189,0.08920738811596189,0.15137113631690768
EOS-2-14326,OCc1ccc(-c2nnc3cncc(OCc4ccc(Oc5cccc(Cl)n5)cn4)n23)cc1,AWPJQAQNKVXXDW-UHFFFAOYSA-N,2,1,0.544,1,347,460.881,4.098,5,0.362,0.69,1.0,0.7240679185799466,0.7068141319991775,0.7465218285244328,0.6670893016242889,0.7111232951819615
EOS-2-14327,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)cn1,JUKVHCCQVJHWJG-UHFFFAOYSA-N,2,1,0.432,18,194,460.885,3.322,5,0.337,0.65,1.0,0.6329672400795011,0.5475721335069563,0.3936758961003358,0.31920361866904257,0.4733547220889589
EOS-2-14328,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cc1=O,HYWYLVZIWMLTJC-UHFFFAOYSA-N,2,1,0.434,18,367,460.885,2.617,5,0.38,0.67,1.0,0.39719690219998627,0.25520012336371733,0.27888767048180385,0.3005619902679734,0.30796167157837023
EOS-2-14329,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncncn1,JLEKXRFEYRXGJL-UHFFFAOYSA-N,2,1,0.531,15,729,460.885,3.322,5,0.337,0.72,1.0,0.8966057843876362,0.7655575354670687,0.4658522376807621,0.38028579261188405,0.6270753375368378
EOS-2-14330,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1nccc(C)n1,AXPYBQQQUHDMED-UHFFFAOYSA-N,2,1,0.381,49,896,460.885,3.588,5,0.35,0.72,1.0,0.647719484613803,0.5381742169830718,0.26768213282160236,0.20594887259269412,0.41488117675279285
EOS-2-14331,CCOc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1,CJARFXSXTUAPEF-UHFFFAOYSA-N,2,1,0.511,16,32,460.885,3.669,5,0.359,0.72,1.0,0.717788362689329,0.8772788020012336,0.35994791309711466,0.3772531012267836,0.5830670447536153
EOS-2-14332,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cncnc1,RMZSOBBYKGGJLI-UHFFFAOYSA-N,2,1,0.406,49,954,460.885,3.322,5,0.337,0.64,0.762,0.5905523953121787,0.5426975532862723,0.2899133027208553,0.2558597765746008,0.4197557569734768
EOS-2-14333,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccc(C)nn1,PNLRDSPBUIWDPK-UHFFFAOYSA-N,2,1,0.458,72,224,460.885,3.588,5,0.375,0.66,1.0,0.6389555205263519,0.6380902611198684,0.3790692892879172,0.3005705571927901,0.48917140703173195
EOS-2-14334,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cnncn1,VBWOTFZQWPPFFN-UHFFFAOYSA-N,2,1,0.521,15,771,460.885,3.322,5,0.36,0.62,1.0,0.8500788157083133,0.7437632787334658,0.46586080460557877,0.40498423685833734,0.6161717839764238
EOS-2-14335,COc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)nc1C,PPXGRXAMWDZOQR-UHFFFAOYSA-N,2,1,0.462,75,99,460.885,3.588,5,0.375,0.6,1.0,0.5875711054759784,0.5381827839078884,0.30063909259132343,0.24386608183126585,0.417564765951614
EOS-2-14336,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1nncc(C)n1,VIXLHTHROVSAGD-UHFFFAOYSA-N,2,1,0.528,4,248,460.885,3.588,5,0.375,0.65,1.0,0.5789956137344938,0.619405798094716,0.3790778562127339,0.322390514700843,0.4749674456856967
EOS-2-14337,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C6COC6)c5)nc4)n23)ccn1,FUDVZBNYNICXNP-UHFFFAOYSA-N,2,1,0.417,92,468,460.885,3.249,6,0.355,0.58,1.0,0.3748115276540333,0.43537111918305804,0.38268453156055104,0.40844527448427115,0.40032811322047845
EOS-2-14338,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cn1,NYNDHMWMPHOEQT-UHFFFAOYSA-N,2,1,0.464,87,173,460.885,3.322,5,0.337,0.69,1.0,0.6162703036118155,0.7251473511068467,0.27531526283325336,0.22611541361113016,0.4607120827907614
EOS-2-14339,COc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)nc1,YVQAJIOHLVRBFQ-UHFFFAOYSA-N,2,1,0.544,75,420,460.885,3.322,5,0.36,0.63,1.0,0.7970067164690563,0.7019652525529436,0.29719518881502294,0.2618651908710849,0.514508087177027
EOS-2-14340,OCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,ZKLJFHBPEXSCJK-UHFFFAOYSA-N,2,1,0.532,65,981,460.885,2.806,5,0.365,0.66,1.0,0.6446182578301692,0.7525957782194503,0.38994071688026866,0.37397196902199986,0.5402816804879721
EOS-2-14341,OCc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cn2)cn1,JEOQBBXGTPQNPJ-UHFFFAOYSA-N,2,1,0.527,65,76,460.885,2.805,5,0.365,0.67,1.0,0.7330546227126311,0.7391885408813652,0.3936844630251525,0.3542509080940306,0.5550446336782948
EOS-2-14342,OCc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)cn1,PTWGKSRZRVZSPQ-UHFFFAOYSA-N,2,1,0.437,18,194,460.885,2.806,5,0.39,0.62,0.893,0.5153005277225687,0.46166301144541155,0.4187684188883558,0.4117778082379549,0.45187744157357274
EOS-2-14343,OCc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,WHQMNAMJBBFZNN-UHFFFAOYSA-N,2,1,0.49,65,858,460.885,2.806,5,0.39,0.64,1.0,0.5650572270577754,0.5910064423274621,0.42975978342814064,0.4244482900418066,0.5025679357137962
EOS-2-14344,CCn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)cc1=O,XUWZLDAFIBKMJQ-UHFFFAOYSA-N,2,1,0.468,4,600,460.885,3.057,5,0.38,0.72,1.0,0.3608988417517648,0.4484271126036598,0.2390600370091152,0.2679305736412857,0.3290791412514563
EOS-2-14345,COc1ncccc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,HJGDGWPMPOKBQW-UHFFFAOYSA-N,2,1,0.41,49,132,460.885,3.322,5,0.36,0.65,0.98,0.5129274895483518,0.48789493523404837,0.23906860393393187,0.21752278802001235,0.3643534541840861
EOS-2-14346,OCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cn1,IRADPSYEIPMHHT-UHFFFAOYSA-N,2,1,0.538,65,981,460.885,2.806,5,0.39,0.69,1.0,0.6565434171749709,0.7391971078061819,0.37517133849633333,0.3739805359468165,0.5362230998560756
EOS-2-14347,COc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc(C)n2)cn1,SUBPCJSLJODHOV-UHFFFAOYSA-N,2,1,0.402,46,62,460.885,3.588,5,0.375,0.73,1.0,0.5905609622369954,0.4616715783702282,0.3673840038379823,0.2912583099170722,0.4277187135905695
EOS-2-14348,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)c(C)n1,UTPFSDUGCGNAQA-UHFFFAOYSA-N,2,1,0.484,55,879,460.885,3.588,5,0.35,0.68,1.0,0.644626824754986,0.5615790555822082,0.34103214310191216,0.24958878760879993,0.44920670276197655
EOS-2-14349,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cc1=O,DZDKVKMUZGAUFU-UHFFFAOYSA-N,2,1,0.404,18,840,460.885,2.617,5,0.38,0.69,1.0,0.4215441025289562,0.25520869028853405,0.3264084024398602,0.35126961825783015,0.33860770337879514
EOS-2-14350,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C6COC6)c5)n4)n23)cc1,FHISRXNKHCNWKI-UHFFFAOYSA-N,2,1,0.5,92,399,460.885,3.249,6,0.38,0.66,1.0,0.46568089918442873,0.642613597423069,0.3045027756836406,0.390086354602152,0.4507209067233226
EOS-2-14351,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncccn1,IJORLPPACOVCSO-UHFFFAOYSA-N,2,1,0.427,18,896,460.885,3.322,5,0.36,0.6,0.998,0.797015283393873,0.6194143650195326,0.22107806181892947,0.20295901583167705,0.460116681516003
EOS-2-14352,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cnncn1,PRGSMVRLBNOHBV-UHFFFAOYSA-N,2,1,0.485,15,771,460.885,3.322,5,0.337,0.65,1.0,0.8155541086971421,0.7297135220341306,0.43361489959564115,0.3772616681516003,0.5890360496196285
EOS-2-14353,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cn1,HDXSFNIFCGUZBD-UHFFFAOYSA-N,2,1,0.516,65,903,460.885,3.322,5,0.36,0.69,1.0,0.7799756699335206,0.752604345144267,0.352511822356247,0.2943338359262559,0.5448564183400726
EOS-2-14354,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cnccn1,JRRAOXXNYSURLH-UHFFFAOYSA-N,2,1,0.484,15,771,460.885,3.322,5,0.36,0.71,1.0,0.7451339867041327,0.6870502364471249,0.3410407100267288,0.30057912411760673,0.5184510143238983
EOS-2-14355,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)cn1,VOUZVLCGPTYLEW-UHFFFAOYSA-N,2,1,0.5,75,530,460.885,2.806,5,0.39,0.67,1.0,0.587579672400795,0.5615876225070249,0.3826930984853677,0.38336988554588447,0.47880756973476796
EOS-2-14356,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,JTOKDGQTINMMJO-UHFFFAOYSA-N,2,1,0.511,65,903,460.885,3.322,5,0.337,0.69,1.0,0.7568192721540675,0.7609485299157015,0.36739257076279896,0.2943424028510726,0.5448756939209101
EOS-2-14357,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cccnn1,QRIZPJROYROSFO-UHFFFAOYSA-N,2,1,0.454,49,501,460.885,3.322,5,0.36,0.6,0.985,0.6301144541155507,0.5705400589404427,0.24256390925913235,0.23814337605373176,0.42034044959221434
EOS-2-14358,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ccccn1,VMZFROCKJJDQTM-UHFFFAOYSA-N,2,1,0.447,49,501,460.885,3.322,5,0.36,0.61,0.924,0.6389640874511685,0.5334881091083544,0.16399664176547188,0.1590877938455212,0.37388415804262903
EOS-2-14359,OCc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cn1,NMTMTRFJAXISKW-UHFFFAOYSA-N,2,1,0.469,87,858,460.885,2.806,5,0.39,0.62,0.998,0.6105047632101981,0.6049276951545474,0.37517990542115004,0.3705537660201494,0.49029153245151125
EOS-2-14360,COCc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)n1,FMZPGGLVJGGYCW-UHFFFAOYSA-N,2,1,0.409,55,85,460.885,3.417,5,0.337,0.68,1.0,0.5336166129806045,0.6333356178466177,0.3899492838050853,0.36109588102254814,0.47949934891371393
EOS-2-14361,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cnccn1,ZILFDAWJWDXVPO-UHFFFAOYSA-N,2,1,0.468,20,279,460.885,3.322,5,0.36,0.62,1.0,0.7742786649304366,0.7205554794051128,0.3487680762113632,0.30372318552532385,0.536831351518059
EOS-2-14362,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cnn(C)c(=O)c5)ccn4)n23)c1Cl,DJBDEGSOOUDLFK-UHFFFAOYSA-N,2,1,0.36,46,160,460.885,2.883,5,0.393,0.62,1.0,0.38163936673291754,0.26531766157220205,0.38270166541018436,0.357489205674731,0.3467869748475087
EOS-2-14363,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nn2)cn1,QGWKDQVCMKWEMF-UHFFFAOYSA-N,2,1,0.451,54,411,460.885,3.322,5,0.337,0.69,1.0,0.7023764649441436,0.6284610376259337,0.35252038928106366,0.3005876910424234,0.4959863957233911
EOS-2-14364,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)ccc1=O,RADVULISCAOIHB-UHFFFAOYSA-N,2,1,0.455,58,954,460.885,2.617,5,0.355,0.65,0.74,0.46313652251387843,0.492366869988349,0.18646768555959153,0.21496127749982866,0.33923308889041187
EOS-2-14365,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)ccc1=O,KLLUEVVIKVPUHO-UHFFFAOYSA-N,2,1,0.5,58,579,460.885,2.617,5,0.38,0.68,0.742,0.5492255499965732,0.5245185388253033,0.2106692481666781,0.23815194297854841,0.38064131999177575
EOS-2-14366,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)cn1,YTBRPARCIOZMCB-UHFFFAOYSA-N,2,1,0.451,75,441,460.885,3.417,5,0.337,0.64,1.0,0.5336251799054211,0.52452710575012,0.43735864574052497,0.3865482146528682,0.4705147865122336
EOS-2-14367,OCc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)cn1,YCRXKZDIIQHTKO-UHFFFAOYSA-N,2,1,0.479,75,279,460.885,2.806,5,0.39,0.63,1.0,0.562101637996025,0.6003358234528133,0.3372626961825783,0.3352666027002947,0.4587416900829278
EOS-2-14368,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cc1=O,ITBJPJHXNJPHQR-UHFFFAOYSA-N,2,1,0.511,75,329,460.885,2.617,5,0.355,0.65,1.0,0.47046981015694606,0.38890411897745186,0.33727126310739497,0.3384106641080118,0.38376396408745117
EOS-2-14369,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nncc(C)n1,AYJYLEZHLRKDSW-UHFFFAOYSA-N,2,1,0.478,16,375,460.885,3.588,5,0.375,0.65,1.0,0.7210780618189295,0.6333441847714344,0.4187769858131725,0.35127818518264686,0.5311193543965458
EOS-2-14370,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2)cn1,AISFLRVOMDKAPV-UHFFFAOYSA-N,2,1,0.446,54,411,460.885,3.322,5,0.337,0.69,1.0,0.7023850318689603,0.6479336577342197,0.36376019464053183,0.3132581728462751,0.5068342642724968
EOS-2-14371,COc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)n1,ZLLOATPLDWIHAP-UHFFFAOYSA-N,2,1,0.523,75,530,460.885,3.322,5,0.337,0.56,1.0,0.7511394010006168,0.6380988280446851,0.3674011376876157,0.31025974916044136,0.5167247789733398
EOS-2-14372,OCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn1,XUEMOHLQHANUBH-UHFFFAOYSA-N,2,1,0.517,75,454,460.885,2.806,5,0.365,0.7,1.0,0.6105133301350147,0.5862260982797615,0.38995785072990197,0.37398910287163317,0.4901715955040778
EOS-2-14373,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cccc(C)n1,BUKIMNHQACTULH-UHFFFAOYSA-N,2,1,0.385,49,501,460.885,3.588,5,0.375,0.56,0.99,0.5542286340895072,0.47031560551024604,0.19309848536769242,0.1462888081694195,0.34098288328421633
EOS-2-14374,COc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,KQBQRIAOZWHPEU-UHFFFAOYSA-N,2,1,0.479,58,710,460.885,3.322,5,0.337,0.6,1.0,0.6537248989102872,0.5862346652045781,0.22108662874374616,0.19700500308409294,0.41451279898567606
EOS-2-14375,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cc1=O,XYQOLQYTSPGQJE-UHFFFAOYSA-N,2,1,0.446,87,954,460.885,2.617,5,0.355,0.71,0.999,0.4468936330614762,0.46587793845521214,0.2497601261051333,0.2706034541840861,0.3582837879514769
EOS-2-14376,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cn1,PSKXNRAWEFJGOY-UHFFFAOYSA-N,2,1,0.5,75,819,460.885,2.806,5,0.365,0.64,1.0,0.568004249194709,0.5756630799808101,0.3006476595161401,0.3037317524501405,0.43701168528544987
EOS-2-14377,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cc1=O,CZLHLMLAWSHWBC-UHFFFAOYSA-N,2,1,0.49,35,578,460.885,2.617,5,0.355,0.69,1.0,0.5179048728668357,0.5063823589884175,0.34104927695154547,0.3415204578164622,0.42671424165581523
EOS-2-14378,COc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ccc(Cl)cn1,VOCSNQJXQFKULH-UHFFFAOYSA-N,2,1,0.412,49,501,460.885,3.322,5,0.36,0.6,1.0,0.6599016517031047,0.5615961894318415,0.22436776094852992,0.20874169008292784,0.413651823041601
EOS-2-14379,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)ccc1=O,KVRGDJMOEZPKSX-UHFFFAOYSA-N,2,1,0.485,58,981,460.885,2.617,5,0.355,0.69,0.999,0.5621102049208416,0.5152919607977521,0.2566479336577342,0.27061202110890276,0.4011655301213077
EOS-2-14380,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)ccc1=O,BZCDESCKZHFOSF-UHFFFAOYSA-N,2,1,0.5,58,981,460.885,2.617,5,0.38,0.75,0.913,0.5875882393256117,0.5104859159756014,0.25342676992666713,0.28251147967925433,0.4085031012267836
EOS-2-14381,COc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,BVCWVPJUHNYHIJ-UHFFFAOYSA-N,2,1,0.459,58,132,460.885,3.322,5,0.36,0.73,0.999,0.6078147488177644,0.6919933520663423,0.23180385168939757,0.20296758275649374,0.43364488383249955
EOS-2-14382,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cn1,GIQYEULEHKUZSD-UHFFFAOYSA-N,2,1,0.469,87,132,460.885,3.322,5,0.36,0.74,1.0,0.6301230210403673,0.7392056747309985,0.29720375573983965,0.25265574669316704,0.47979704955109315
EOS-2-14383,CCOc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cnccn1,TUIJQULMDYDWBN-UHFFFAOYSA-N,2,1,0.433,51,196,460.885,3.669,5,0.359,0.75,1.0,0.7023935987937769,0.6673634432184223,0.3637687615653485,0.30701288465492427,0.510134672058118
EOS-2-14384,COCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)nc1,VJNCKMBPRMSIIU-UHFFFAOYSA-N,2,1,0.443,51,196,460.885,3.417,5,0.36,0.7,1.0,0.6477280515386197,0.604936262079364,0.36740970461243233,0.3192121855938592,0.4848215509560688
EOS-2-14385,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cccnc1,BTCBDTINFAIPLY-UHFFFAOYSA-N,2,1,0.4,20,279,460.885,3.322,5,0.36,0.67,0.993,0.6078233157425811,0.547580700431773,0.2210951956685628,0.21197998766362827,0.3971197998766363
EOS-2-14386,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)ccc1=O,GDGGTVUGIVOFDL-UHFFFAOYSA-N,2,1,0.495,58,578,460.885,2.617,5,0.355,0.69,0.999,0.5542372010143239,0.5199009663491193,0.267690699746419,0.282520046604071,0.40608722842848327
EOS-2-14387,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cc1=O,KINNSHGTNZAUBZ-UHFFFAOYSA-N,2,1,0.495,65,600,460.885,2.617,5,0.38,0.72,1.0,0.5336337468302378,0.49237543691316565,0.32641696936467685,0.3447416215475293,0.4242919436639023
EOS-2-14388,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cc1=O,IAZONONXNRDKAS-UHFFFAOYSA-N,2,1,0.469,87,349,460.885,2.617,5,0.355,0.68,1.0,0.4444177917894593,0.37941196628058393,0.3936930299499692,0.39587759577821946,0.40335009594955795
EOS-2-14389,CCOc1nc(C)ncc1-c1ccnc(-c2nnc3cncc(Oc4ncccc4Cl)n23)c1,JWQGMVWLRDMORO-UHFFFAOYSA-N,2,1,0.337,18,840,460.885,4.191,5,0.368,0.71,1.0,0.5492341169213899,0.5334966760331711,0.2639126859022685,0.2029761496813104,0.3874049071345349
EOS-2-14390,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnncn1,KFMRDGDLOZDTAD-UHFFFAOYSA-N,2,1,0.516,15,669,460.885,3.322,5,0.337,0.63,1.0,0.8453584401343294,0.7392142416558152,0.5247669796449866,0.4432269892399424,0.6381416626687684
EOS-2-14391,COc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,DIDBEFINGVIRLP-UHFFFAOYSA-N,2,1,0.471,51,19,460.885,3.588,5,0.375,0.75,1.0,0.8104824892056748,0.7392228085806319,0.282751353574121,0.21198855458844493,0.5111113014872182
EOS-2-14392,Cc1nc(=N)nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)[nH]1,QEUNTWXGXSJRBW-UHFFFAOYSA-N,2,1,0.461,87,307,460.889,2.429,5,0.393,0.66,0.999,0.6416798026180522,0.5335052429579878,0.1670721677746556,0.15127475841272017,0.373382992940854
EOS-2-14393,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nncn5C5CC5)nc4)n23)nn1,WLBKAAPXHLQMBI-UHFFFAOYSA-N,2,1,0.446,36,602,460.889,2.845,6,0.36,0.68,1.0,0.5053885957096841,0.5245356726749366,0.021528682064286205,0.08205400589404427,0.28337673908573774
EOS-2-14394,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)c(C)n1,NHFYEOYXKITEMX-UHFFFAOYSA-N,2,1,0.353,31,194,460.889,2.72,5,0.372,0.6,0.897,0.5260605852923035,0.497447056404633,0.07213350695634295,0.07291309711465972,0.29213856144198475
EOS-2-14395,Fc1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1,RFORWHGCRURZOH-UHFFFAOYSA-N,2,1,0.809,79,590,460.896,5.998,5,0.298,0.85,1.0,0.9957422383661161,0.9992461106161332,0.9477417586183263,0.9530275512302104,0.9739394147076965
EOS-2-14396,COc1cccc(F)c1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,UZKLIOWBHOCSGU-UHFFFAOYSA-N,2,1,0.641,57,23,460.896,5.838,5,0.318,0.83,1.0,0.9830546227126311,0.9875865259406483,0.9576451237063943,0.9505174422589268,0.9697009286546502
EOS-2-14397,Fc1cc(-c2nnc3cncc(OCCc4cccc(Oc5ccccc5)c4)n23)ccc1Cl,MWNZFOKNZMBSLM-UHFFFAOYSA-N,2,1,0.784,79,590,460.896,5.998,5,0.298,0.76,1.0,0.9878092659858817,0.9950397505311493,0.9401771640052087,0.942387430607909,0.9663534027825372
EOS-2-14400,Fc1cc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)ccc1Cl,QFWWEQOQZWNUMK-UHFFFAOYSA-N,2,1,0.817,79,590,460.896,5.998,5,0.298,0.81,1.0,0.984887944623398,0.9845624014803646,0.944786169556576,0.9438780755260092,0.964528647796587
EOS-2-14402,Fc1ccc(COc2cncc3nnc(-c4ccc(COc5ccc(Cl)cc5)cc4)n23)cc1,PUBJQHFDBDGQAI-UHFFFAOYSA-N,2,1,0.768,79,397,460.896,5.742,5,0.31,0.84,1.0,0.9870468096771983,0.9837999451716811,0.9668031663354122,0.9642073881159618,0.9754643273250634
EOS-2-14404,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)cc1,YHXZEYOAXQNUSK-UHFFFAOYSA-N,2,1,0.75,79,590,460.896,5.998,5,0.298,0.83,1.0,0.9858474402028647,0.989531217874032,0.9447947364813927,0.9518881502295936,0.9680153861969707
EOS-2-14405,OCc1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccc(Cl)c(F)c4)n23)cc1,FQNXZGFIXHTJFL-UHFFFAOYSA-N,2,1,0.58,79,650,460.896,5.322,5,0.371,0.84,1.0,0.9842282914125146,0.9676941265163457,0.9720889589472963,0.9707439517510794,0.9736888321568089
EOS-2-14406,Fc1cc(CCOc2cncc3nnc(-c4cccc(Oc5ccccc5)c4)n23)ccc1Cl,XBRNHZOXRSTHOC-UHFFFAOYSA-N,2,1,0.785,79,590,460.896,5.998,5,0.298,0.81,1.0,0.9690905352614625,0.9597097525872113,0.9408967856898088,0.9415307381262422,0.9528069529161811
EOS-2-14407,Cc1cncc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)c2)n1,OBUVGMJYENNUQM-UHFFFAOYSA-N,2,1,0.544,88,70,460.9,4.971,5,0.356,0.71,1.0,0.872344253306833,0.9225892673565896,0.8219621684600096,0.82540607223631,0.8605754403399355
EOS-2-14408,Cc1ccc(F)c(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)c1,HEDNLSWOJRLLCT-UHFFFAOYSA-N,2,1,0.511,11,275,460.9,4.971,5,0.333,0.68,1.0,0.8840809403056679,0.8539853334247138,0.7813463779041875,0.7936998834898225,0.8282781337810979
EOS-2-14409,Cc1cccc(Cl)c1CCOc1cncc2nnc(-c3cc(-c4cncc(F)c4)ccn3)n12,SUUNWLLAJYGARJ-UHFFFAOYSA-N,2,1,0.489,84,503,460.9,4.971,5,0.356,0.76,1.0,0.7538979507915838,0.7437718456582825,0.8181241861421424,0.8374597354533616,0.7883134295113426
EOS-2-14410,Cc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)c1,YTUIMCHNMWISQA-UHFFFAOYSA-N,2,1,0.551,84,73,460.9,4.971,5,0.356,0.75,1.0,0.8155626756219587,0.8508584058666301,0.8237355218970598,0.8174988006305257,0.8269138510040437
EOS-2-14411,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1cccnc1,ZSIMDNWNXLBUQD-UHFFFAOYSA-N,2,1,0.588,11,308,460.9,4.971,5,0.356,0.75,1.0,0.915281680487972,0.8539939003495305,0.8165307381262422,0.8133866767185252,0.8497982489205674
EOS-2-14412,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cn1,GMTVMDHSIKGTGC-UHFFFAOYSA-N,2,1,0.621,11,503,460.9,4.971,5,0.356,0.81,1.0,0.8858200260434514,0.8407408676581455,0.8568295524638476,0.8433966143513124,0.8566967651291892
EOS-2-14413,Cc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1,MGAWIVDZRHICQK-UHFFFAOYSA-N,2,1,0.552,84,749,460.9,4.971,5,0.356,0.68,1.0,0.845367007059146,0.8569409224864643,0.7961500239873894,0.8067044753615242,0.826290607223631
EOS-2-14414,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)cn1,OHRTYRAHMRUYQH-UHFFFAOYSA-N,2,1,0.759,84,360,460.9,4.971,5,0.356,0.85,1.0,0.9685765197724625,0.9631108217394284,0.8582430950585977,0.8374683023781784,0.9068496847371668
EOS-2-14415,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)ccc1F,BSFPXUBVNIDRRF-UHFFFAOYSA-N,2,1,0.512,11,275,460.9,4.971,5,0.356,0.77,1.0,0.9062350078815709,0.952907614282777,0.7465303954492495,0.7678363374683024,0.8433773387704748
EOS-2-14416,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)n1,RPLOLSNZPYKBLX-UHFFFAOYSA-N,2,1,0.727,91,781,460.9,4.971,5,0.356,0.75,1.0,0.970058597765746,0.9692190391337125,0.8490679185799466,0.835463641971078,0.9059522993626208
EOS-2-14417,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)nc1,SYJVVFLURYPOEU-UHFFFAOYSA-N,2,1,0.722,84,360,460.9,4.971,5,0.356,0.77,1.0,0.9494380097320266,0.9558717702693441,0.8311030772393941,0.8155883763964088,0.8880003084092934
EOS-2-14418,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4c[nH]c(=NC(C)F)cn4)nc3)n12,RAKQEXBVBBCAKQ-UHFFFAOYSA-N,2,1,0.318,96,478,460.904,4.421,5,0.4,0.49,0.007,0.09624940031526283,0.2757864436981701,0.7313498046741141,0.6935268316085258,0.44922812007401824
EOS-2-14419,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3nnc(-c4ccc(Cl)s4)o3)n12,UKOXIGBASHJJAB-UHFFFAOYSA-N,2,1,0.296,76,541,460.91,4.624,6,0.378,0.63,0.041,0.15248269481187032,0.20452676307312728,0.12452025221026661,0.24959735453361662,0.18278176615722022
EOS-2-14420,N#Cc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)s1,OZENWGYZSVRHAM-UHFFFAOYSA-N,2,1,0.505,75,420,460.91,3.851,5,0.375,0.66,1.0,0.8896323075868686,0.847714344458913,0.367418271537249,0.4021228839695703,0.6267219518881503
EOS-2-14421,Cn1nc(-c2ncc(-c3nc[nH]n3)s2)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,JMDKMXZVAAWNOF-UHFFFAOYSA-N,2,1,0.361,98,154,460.914,3.754,6,0.426,0.66,0.995,0.13843293811253513,0.3839781372078679,0.13612843533685148,0.2409019258446988,0.22486035912548832
EOS-2-14422,COc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)n(C)n4)n23)cc1,XPJQJNLKHHDQRU-UHFFFAOYSA-N,2,1,0.61,19,266,460.925,4.475,5,0.356,0.86,1.0,0.48045027756836406,0.5335138098828045,0.642587896648619,0.602511822356247,0.5647659516140087
EOS-2-14423,COc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)n(C)n3)n12,YJTAEONMSRTAEP-UHFFFAOYSA-N,2,1,0.539,19,266,460.925,4.475,5,0.356,0.79,0.999,0.4928723185525324,0.5245442395997533,0.5844955794667946,0.5559677198272908,0.5394699643615928
EOS-2-14424,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1-c1ccn(C)n1,HTUYQOSRZVZYIZ-UHFFFAOYSA-N,2,1,0.616,91,309,460.925,4.475,5,0.356,0.75,1.0,0.7420927283942156,0.6870588033719416,0.7003546706874101,0.6209735453361661,0.6876199369474334
EOS-2-14425,OCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cn1,OFTSDIOYGTYQAY-UHFFFAOYSA-N,2,1,0.724,91,322,460.925,3.922,5,0.377,0.74,1.0,0.5734528133781098,0.672297991912823,0.6650675073675554,0.6699677883626893,0.6451965252552944
EOS-2-14426,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cncn1C,LQGDWFDMVIIVAJ-UHFFFAOYSA-N,2,1,0.655,91,309,460.925,4.475,5,0.356,0.81,1.0,0.7359588102254815,0.5956154478788294,0.7364128572407649,0.6583596052361045,0.681586680145295
EOS-2-14427,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,XOJBCTRHSJFOTQ-UHFFFAOYSA-N,2,1,0.394,30,93,460.928,6.236,6,0.311,0.81,1.0,0.21886779521622918,0.3934959906791858,0.8538653964772805,0.9019943800973202,0.592055890617504
EOS-2-14428,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cn5)n34)cn2)c1,SDFZQGIYXIDDFU-UHFFFAOYSA-N,2,1,0.382,93,93,460.928,6.236,6,0.311,0.79,1.0,0.20797066684942772,0.364865327941882,0.8553646083201973,0.9044102528956206,0.5831527140017819
EOS-2-14429,Clc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)c1,DSYBOYHWJVOEFG-UHFFFAOYSA-N,2,1,0.386,93,651,460.928,6.236,6,0.311,0.8,1.0,0.3025409499006237,0.40783702282228773,0.8854859159756014,0.919822150640806,0.6289215098348298
EOS-2-14430,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cn1,GNRWEOIZYGXOSF-UHFFFAOYSA-N,2,1,0.446,21,810,460.928,6.236,6,0.311,0.78,1.0,0.2863580289219382,0.4216983071756562,0.8778270851895004,0.907699952025221,0.623395843328079
EOS-2-14431,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)nc1,DTZHFDCFBDCFFL-UHFFFAOYSA-N,2,1,0.386,93,651,460.928,6.236,6,0.311,0.8,1.0,0.3204372558426427,0.4353796861078747,0.8628349667603317,0.9008978137207868,0.629887430607909
EOS-2-14432,Clc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cc2)c1,MEAGRQRZTHWQBT-UHFFFAOYSA-N,2,1,0.333,69,695,460.928,6.236,6,0.311,0.77,1.0,0.25185045576040027,0.3554588444931807,0.8805085326571174,0.9155558220821054,0.6008434137482009
EOS-2-14433,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)cc2)c1,GOAJUJZSAXHHKL-UHFFFAOYSA-N,2,1,0.4,93,30,460.928,6.236,6,0.311,0.81,1.0,0.2462990884791995,0.4217068741004729,0.9039390720307039,0.9313874991433075,0.625833133438421
EOS-2-14434,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc1,YJBPSQIOWORXFX-UHFFFAOYSA-N,2,1,0.384,93,651,460.928,6.236,6,0.311,0.79,1.0,0.2728479884860531,0.43059077513535743,0.9028425056541703,0.9321071208279076,0.6345970975258721
EOS-2-14435,Clc1ccccc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4ccccc4)cn3)n12,YALYZJALQNIBSC-UHFFFAOYSA-N,2,1,0.368,93,93,460.928,6.236,6,0.311,0.69,1.0,0.20229936262079365,0.34587245562332947,0.8064046329929409,0.880414296484134,0.5587476869302995
EOS-2-14436,Clc1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(-c6ccccc6)nc5)c4)n23)cc1,JEPBIRHBVHUPAX-UHFFFAOYSA-N,2,1,0.411,69,695,460.928,6.236,6,0.311,0.82,1.0,0.34957336714412995,0.5705486258652595,0.8726697964498663,0.9066376533479542,0.6748573607018025
EOS-2-14437,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cn1,XMNUDQPLIGJYRL-UHFFFAOYSA-N,2,1,0.446,21,810,460.928,6.236,6,0.311,0.78,1.0,0.28636659584675483,0.4217154410252896,0.877835652114317,0.9077085189500377,0.6234065519840998
EOS-2-14438,Clc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)c1,VBUTWDINKDNHFT-UHFFFAOYSA-N,2,1,0.38,93,987,460.928,6.236,6,0.311,0.77,1.0,0.31555410869714207,0.42172400795010623,0.8865996162017682,0.9177232540607224,0.6354002467274347
EOS-2-14439,Clc1ccncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,QNVJQSQROLMJBW-UHFFFAOYSA-N,2,1,0.365,69,987,460.928,6.236,6,0.311,0.75,1.0,0.297452196559523,0.4078455897471044,0.8959375642519362,0.9241398807484066,0.6313438078267425
EOS-2-14440,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,VRLBLZUMILQXKG-UHFFFAOYSA-N,2,1,0.406,69,958,460.928,6.236,6,0.311,0.74,1.0,0.2863751627715715,0.4791138372969639,0.907134534987321,0.9328952779110411,0.6513797032417243
EOS-2-14441,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)nc1,HYCDVKXUWYLTQE-UHFFFAOYSA-N,2,1,0.386,93,737,460.928,6.236,6,0.311,0.8,1.0,0.1740456445754232,0.3358063189637448,0.8490764855047632,0.9056181892947708,0.5661366595846755
EOS-2-14442,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(C)cnc4Cl)n23)cn1,XLJPLXFPULTGQK-UHFFFAOYSA-N,2,1,0.455,65,981,460.929,4.048,5,0.338,0.61,1.0,0.5129360564731684,0.5104944829004181,0.33012644781029404,0.29746076348433964,0.41275443766705505
EOS-2-14443,CCn1nc(C)cc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,CGXLNZKMDPRALH-UHFFFAOYSA-N,2,1,0.515,65,981,460.929,4.048,5,0.361,0.71,1.0,0.4215526694537729,0.45264203961346033,0.22437632787334658,0.2381605099033651,0.3341828867109862
EOS-2-14444,CCc1nc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)c2)n(C)c1Cl,KQWWIVRQKQAHES-UHFFFAOYSA-N,2,1,0.484,15,921,460.929,4.085,5,0.376,0.63,1.0,0.37236138715646633,0.4570625728188609,0.14520937564251937,0.1365739154273182,0.2778018127612912
EOS-2-14445,CCn1nc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1ccc(Cl)c(C)c1,IHJCKWXFAJFRSA-UHFFFAOYSA-N,2,1,0.404,95,493,460.929,4.048,5,0.361,0.67,1.0,0.27527242820917003,0.2653262284970187,0.1701905284079227,0.21496984442464534,0.2314397573846892
EOS-2-14446,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)c(C)n1,UZNIVOBWTDGYIB-UHFFFAOYSA-N,2,1,0.505,75,329,460.929,4.048,5,0.361,0.65,1.0,0.435011308340758,0.41730347474470564,0.22810294016859708,0.2321979302309643,0.3281539133712562
EOS-2-14447,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)c(C)n1,FYCKATUAFABHOF-UHFFFAOYSA-N,2,1,0.516,65,981,460.929,4.048,5,0.361,0.73,1.0,0.4607292166403948,0.47912240422178054,0.2639212528270852,0.25586834349941745,0.36491030429716953
EOS-2-14448,CCc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cnn(C)c1,OHEOJEVNLVZMFY-UHFFFAOYSA-N,2,1,0.439,31,690,460.929,3.819,5,0.364,0.63,0.478,0.439911589335892,0.46168014529504486,0.2566565005825509,0.2586525940648345,0.35422520731958057
EOS-2-14449,CC(C)(C)n1cnnc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cn4)c3)n12,QUNLRJWNUGGHAP-UHFFFAOYSA-N,2,1,0.426,36,506,460.929,4.432,5,0.382,0.64,1.0,0.44442635871427594,0.41258309917072167,0.42629874580220684,0.33841923103282845,0.4054318586800082
EOS-2-14450,Cc1nccc(-c2nc(C)n(C)c2COc2cncc3nnc(-c4ccc(Cl)c(C)c4)n23)n1,CCSFZJKTKDTTNV-UHFFFAOYSA-N,2,1,0.457,4,677,460.929,4.139,5,0.389,0.7,1.0,0.5053971626345007,0.6576571174011376,0.19310705229250907,0.1916935096977589,0.3869637105064766
EOS-2-14451,CCCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,UPRLODZGFZICSH-UHFFFAOYSA-N,2,1,0.417,18,211,460.929,4.13,5,0.343,0.7,0.93,0.4078969912960044,0.3014101158248235,0.23181241861421426,0.2526643136179837,0.2984459598382565
EOS-2-14452,CCCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1,DEBZNRVBHGHHOS-UHFFFAOYSA-N,2,1,0.539,15,187,460.929,4.13,5,0.343,0.76,1.0,0.6389726543759852,0.5705571927900761,0.22438489479816326,0.27955589061750397,0.4283676581454321
EOS-2-14453,CCCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,SERWSUQSIXJPMR-UHFFFAOYSA-N,2,1,0.387,31,211,460.929,4.13,5,0.321,0.77,0.983,0.36090740867658144,0.26533479542183536,0.2071825097662943,0.22939654581591393,0.26570531492015625
EOS-2-14454,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ncc4C)n23)cn1,UEIAROQMYZIXKL-UHFFFAOYSA-N,2,1,0.451,65,981,460.929,4.048,5,0.338,0.65,1.0,0.5234305393735864,0.5105030498252348,0.3599564800219313,0.3070214515797409,0.4252278802001233
EOS-2-14455,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)c(C)n1,SJBIPZSYKGEIEL-UHFFFAOYSA-N,2,1,0.522,75,329,460.929,4.048,5,0.361,0.68,1.0,0.4704783770817627,0.43957747926804197,0.22439346172297991,0.217531354944829,0.3379951682544034
EOS-2-14456,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cc5C)n34)cn2)cn1,YSDMCWOTTJEQGX-UHFFFAOYSA-N,2,1,0.49,65,468,460.929,4.048,5,0.361,0.68,1.0,0.47821431019121374,0.5290418751285039,0.2534353368514838,0.23816907682818175,0.37471514974984577
EOS-2-14457,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)c(C)n1,FCLZRHANKQQTMD-UHFFFAOYSA-N,2,1,0.517,75,329,460.929,4.048,5,0.338,0.72,1.0,0.4328867109862244,0.38398670413268454,0.27532382975807,0.25267288054280035,0.3362175313549448
EOS-2-14458,CCCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,ASWBUPQPNLIBJC-UHFFFAOYSA-N,2,1,0.485,87,510,460.929,4.13,5,0.343,0.65,0.998,0.5680128161195257,0.5290504420533205,0.15143752998423685,0.18080494825577412,0.35732643410321424
EOS-2-14459,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)c(C)n1,PRBHHTAFXTWMCM-UHFFFAOYSA-N,2,1,0.517,75,329,460.929,4.048,5,0.338,0.68,1.0,0.43764135425947503,0.36487389486669863,0.28631519429785485,0.264777945308752,0.33840209718319514
EOS-2-14460,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCCCc5ccnc(Cl)c5)n34)c2)cn1,IMIRVLCBASKGKP-UHFFFAOYSA-N,2,1,0.388,18,711,460.929,4.037,5,0.254,0.71,1.0,0.4145534918785553,0.34065519840997877,0.2827599204989377,0.3192207525186759,0.3392973408265369
EOS-2-14461,CS(=O)(=O)c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)c(Cl)c4)n23)c1,MULSPSSITXVTHJ-UHFFFAOYSA-N,2,1,0.37,83,472,460.946,5.182,5,0.369,0.89,1.0,0.19958364745390994,0.3889126859022685,0.8362089644301282,0.8928363374683024,0.5793854088136523
EOS-2-14462,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)cn2)c1,OPIIXSJAQKIDCY-UHFFFAOYSA-N,2,1,0.279,10,673,460.975,6.087,6,0.319,0.65,0.832,0.0020817627304502775,0.020209375642519362,0.6815674045644575,0.7866236035912549,0.37262053663217054
EOS-2-14463,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)s1,CVSKRGXTDKMVPD-UHFFFAOYSA-N,2,1,0.598,11,848,438.965,5.856,5,0.333,0.8,1.0,0.9579878006990611,0.9517082448084435,0.6868874648756083,0.744637105064766,0.8353051538619698
EOS-2-14464,Cn1nc(-c2nnc3cncc(OCCc4nccs4)n23)cc1-c1ccc(Cl)nc1,XHJJPPLXZQWARA-UHFFFAOYSA-N,2,1,0.539,95,235,438.904,3.318,5,0.375,0.74,0.999,0.395166541018436,0.42613597423069016,0.11896888492906586,0.16426221643478855,0.27613340415324517
EOS-2-14465,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2C)s1,OEUZTRNWGSTPJG-UHFFFAOYSA-N,2,1,0.477,95,694,438.904,3.584,5,0.413,0.61,1.0,0.15512130765540402,0.26002330203550134,0.15144609690905353,0.17505654170379,0.18541181207593724
EOS-2-14466,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,BQVPVMDCRHRNMO-UHFFFAOYSA-N,2,1,0.605,15,447,438.904,3.318,5,0.401,0.78,1.0,0.7772256870673703,0.756990610650401,0.16708073469947227,0.235067850044548,0.48409122061544785
EOS-2-14467,Cc1nc(Cl)sc1COc1cncc2nnc(-c3ccnc(-c4cn(C)cn4)c3)n12,XFUJEKRUULPOEJ-UHFFFAOYSA-N,2,1,0.466,7,99,438.904,3.584,5,0.413,0.64,1.0,0.4631450894386951,0.4879035021588651,0.13020012336371736,0.12798128983620038,0.30230750119936944
EOS-2-14468,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4scnc4Cl)n23)c1,DKYYCJOVVCCRRG-UHFFFAOYSA-N,2,1,0.484,65,905,438.904,3.318,5,0.401,0.66,1.0,0.5004540470152834,0.501884723459667,0.19651668836954286,0.23817764375299844,0.35925827564937296
EOS-2-14469,CCn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)n1,KLUXUUHPKPIFAO-UHFFFAOYSA-N,2,1,0.451,92,617,438.904,3.759,5,0.398,0.69,0.992,0.3495819340689466,0.45707113974367763,0.13304434240285107,0.1669179631279556,0.27665384483585775
EOS-2-14470,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)c(Cl)c4)n23)n1,LAPZBDZDQRGYNU-UHFFFAOYSA-N,2,1,0.542,36,610,438.904,3.584,5,0.413,0.72,1.0,0.36559351655129874,0.5521897059831403,0.1481992324035364,0.17506510862860666,0.3102618908916455
EOS-2-14471,Cn1cc(-c2ncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cn1,NXYAUUFJCQTQCY-UHFFFAOYSA-N,2,1,0.494,92,510,438.904,3.318,5,0.401,0.76,1.0,0.5310208347611541,0.519909533273936,0.18316941950517443,0.2087502570077445,0.36071251113700226
EOS-2-14472,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)n1,CSCAMFVNODBJBK-UHFFFAOYSA-N,2,1,0.585,15,447,438.904,3.318,5,0.401,0.75,1.0,0.7657203070385854,0.7251559180316633,0.16708930162428895,0.21753992186964566,0.46887636214104583
EOS-2-14473,Cn1nc(-c2nnc3cncc(OCCc4nncs4)n23)cc1-c1ccc(Cl)cc1,BPBYRIGYRSCTLD-UHFFFAOYSA-N,2,1,0.483,95,835,438.904,3.318,5,0.401,0.72,1.0,0.42378863683092316,0.5018932903844836,0.10518470289904736,0.20875882393256118,0.3099063635117538
EOS-2-14474,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5scnc5Cl)n34)cn2)c1,NNJYYSHUQDCQBJ-UHFFFAOYSA-N,2,1,0.511,65,823,438.904,3.318,5,0.401,0.65,1.0,0.584769721060928,0.6870673702967582,0.13934103214310192,0.17245219655952299,0.39590758001507775
EOS-2-14475,Cn1nnnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,NVFIZKBCKLHYQQ-UHFFFAOYSA-N,2,1,0.558,15,561,438.904,3.318,5,0.401,0.76,1.0,0.6162788705366322,0.6381073949695018,0.1482077993283531,0.22612398053594682,0.40717951134260844
EOS-2-14476,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4csc(Cl)n4)n23)c1,NKAAKVUFSWJNFF-UHFFFAOYSA-N,2,1,0.411,46,211,438.904,3.759,5,0.398,0.65,1.0,0.29746076348433964,0.31681344664519223,0.19652525529435955,0.19170207662257557,0.2506253855116168
EOS-2-14477,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ncn1,UAFQYFJFFQSBOH-UHFFFAOYSA-N,2,1,0.406,31,194,438.904,3.318,5,0.401,0.7,0.936,0.5734613803029265,0.4217325748749229,0.20719107669111095,0.23507641696936468,0.35936536220958126
EOS-2-14478,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ncn1,WXSWVSQKOFCUMF-UHFFFAOYSA-N,2,1,0.418,31,395,438.904,3.584,5,0.413,0.6,0.853,0.3180556507436091,0.33581488588856145,0.21067781509149475,0.2119971215132616,0.2691363683092317
EOS-2-14479,CCn1cc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)ccn2)cn1,TUIQVFHEIXNWIX-UHFFFAOYSA-N,2,1,0.506,92,329,438.904,3.759,5,0.398,0.71,1.0,0.2542063600849839,0.35546741141799737,0.19311561921732576,0.1860479062435748,0.24720932424097045
EOS-2-14480,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1cnccn1,BEYKHDUUBZPVTP-UHFFFAOYSA-N,2,1,0.43,31,569,438.904,3.318,5,0.401,0.6,1.0,0.44937804125830993,0.37471729148105,0.13613700226166814,0.18605647316839147,0.2865722020423549
EOS-2-14481,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4Cl)n23)cn1,VGAWDGOQLUDQFF-UHFFFAOYSA-N,2,1,0.512,65,143,438.904,3.318,5,0.375,0.6,1.0,0.4517853471317936,0.5809317387430608,0.20008052909327667,0.2231512576245631,0.3639872181481736
EOS-2-14482,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cnn2)cn1,ISZPWEYNOSEDOB-UHFFFAOYSA-N,2,1,0.467,92,778,438.904,3.318,5,0.401,0.52,1.0,0.4855218970598314,0.5199181001987526,0.26769926667123567,0.29746933040915635,0.39265214858474407
EOS-2-14483,Cn1nc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1cnc(Cl)nc1,JPQMZLMYEKVJNC-UHFFFAOYSA-N,2,1,0.44,65,462,438.904,3.318,5,0.375,0.68,0.899,0.3816479336577342,0.3406637653347954,0.1931241861421424,0.214978411349462,0.2826035741210335
EOS-2-14484,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)ncn1,JJAKYROTKACAFG-UHFFFAOYSA-N,2,1,0.413,31,194,438.904,3.318,5,0.401,0.55,0.998,0.48553046398464805,0.3505071619491467,0.16400520869028853,0.19990919059694331,0.2999880063052566
EOS-2-14485,CCn1cnnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cs1,OBTUOYMCXYTMNX-UHFFFAOYSA-N,2,1,0.457,92,45,438.904,3.759,5,0.372,0.63,1.0,0.347251730518813,0.260031868960318,0.1864762524844082,0.22940511274073058,0.25579124117606744
EOS-2-14486,Cc1snnc1-c1ccc(COc2cncc3nnc(-c4nccn4C)n23)c(Cl)c1,ZSNRWQAOCODIDS-UHFFFAOYSA-N,2,1,0.438,92,62,438.904,3.584,5,0.413,0.7,0.999,0.26231067096155164,0.28617812350078814,0.1640137756151052,0.21498697827427868,0.23187238708793093
EOS-2-14487,Cn1nccc1-c1ncc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,HBLWLEBGEOCELW-UHFFFAOYSA-N,2,1,0.494,87,510,438.904,3.318,5,0.401,0.71,1.0,0.5790041806593106,0.5705657597148928,0.13934959906791858,0.16692653005277225,0.36396151737372356
EOS-2-14488,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(Cl)ns4)n23)c1,JLVULFUFOQRZIB-UHFFFAOYSA-N,2,1,0.396,46,211,438.904,3.759,5,0.398,0.68,1.0,0.3306404632992941,0.2965869371530395,0.1965338222191762,0.20876739085737783,0.25813215338222195
EOS-2-14489,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nccn5C)nc4Cl)n23)n1,SFIQAZWBRAPLNP-UHFFFAOYSA-N,2,1,0.466,7,464,438.904,3.584,5,0.387,0.61,1.0,0.37013398670413267,0.4570797066684943,0.08570351586594475,0.09499862929202933,0.25197895963265027
EOS-2-14490,CCn1cnnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cs1,FNFHGWCPBBXPBX-UHFFFAOYSA-N,2,1,0.484,92,185,438.904,3.759,5,0.398,0.6,1.0,0.2837194160784045,0.3014186827496402,0.14821636625316975,0.19991775752176,0.23331805565074362
EOS-2-14491,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4scnc4Cl)n23)c1,OEFYMWSXJPYNHX-UHFFFAOYSA-N,2,1,0.557,15,931,438.904,3.318,5,0.401,0.61,1.0,0.4804588444931807,0.5335223768076212,0.11029915701459804,0.15909636077033787,0.3208441847714345
EOS-2-14492,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,QEWOLUIOHSEYPS-UHFFFAOYSA-N,2,1,0.479,31,510,438.904,3.318,5,0.401,0.66,1.0,0.6134346514974984,0.6333527516962512,0.13935816599273526,0.17784935919402373,0.39099873209512714
EOS-2-14493,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)nn1,NQSLYHYZQUGXPC-UHFFFAOYSA-N,2,1,0.479,58,510,438.904,3.318,5,0.401,0.71,1.0,0.5054057295593174,0.6003443903776301,0.18317798642999109,0.22315982454937974,0.3780219827290796
EOS-2-14494,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)nn2C)cn1,WPEJAOGIKMDHMP-UHFFFAOYSA-N,2,1,0.444,31,828,438.904,3.584,5,0.413,0.61,1.0,0.34257418956891234,0.3116904256048249,0.2035929682681105,0.21200568843807827,0.2674658179699815
EOS-2-14495,CCn1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)n1,CBRAXEOJYSHODY-UHFFFAOYSA-N,2,1,0.435,31,544,438.904,3.759,5,0.398,0.72,1.0,0.2355218970598314,0.3406723322596121,0.13020869028853402,0.15641491330272086,0.2157044582276746
EOS-2-14496,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)c2)n1,CSJUKOSDCMBASM-UHFFFAOYSA-N,2,1,0.494,15,482,438.904,3.318,5,0.401,0.68,1.0,0.3609159756013981,0.5705743266397094,0.09051812761291207,0.14629737509423618,0.29207645123706394
EOS-2-14497,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,OTMCXNWVPYUVIR-UHFFFAOYSA-N,2,1,0.484,31,510,438.904,3.318,5,0.401,0.74,1.0,0.6389812213008018,0.6479422246590364,0.14521794256733603,0.19435782331574258,0.4066248029607292
EOS-2-14498,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cncs1,FSBVVTQRMCZOCL-UHFFFAOYSA-N,2,1,0.482,95,493,438.904,3.318,5,0.375,0.56,1.0,0.3378623809197451,0.27062915495853607,0.20008909601809335,0.24387464875608253,0.26311382016311424
EOS-2-14499,Cn1nc(-c2nnc3cncc(OCCc4nccs4)n23)cc1-c1ccnc(Cl)c1,ZNSNCLDVHCAUTD-UHFFFAOYSA-N,2,1,0.528,95,235,438.904,3.318,5,0.375,0.74,0.913,0.3656020834761154,0.3602563223905147,0.11897745185388253,0.16693509697758893,0.2529427386745254
EOS-2-14500,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)s5)n34)cn2)cn1,GQPVTDYTDRGOOY-UHFFFAOYSA-N,2,1,0.456,92,468,438.904,3.759,5,0.398,0.71,1.0,0.32541463916112673,0.3935045576040025,0.19654238914399288,0.18901206223014186,0.27611841203481596
EOS-2-14501,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)n[nH]1,BDSTWBHXVQEKKR-UHFFFAOYSA-N,2,1,0.474,58,510,438.904,3.616,5,0.431,0.65,1.0,0.6932612569392091,0.7911897745185388,0.14822493317798643,0.17785792611884038,0.4526334726886437
EOS-2-14502,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)n4)n23)cc1,DRLKRDBWBDVQMW-UHFFFAOYSA-N,2,1,0.512,36,734,438.904,3.759,5,0.398,0.66,1.0,0.5153090946473854,0.5019018573093003,0.15431601672263726,0.17507367555342335,0.33665016105818657
EOS-2-14503,Cn1nc(-c2nnc3cncc(OCCc4scnc4Cl)n23)cc1-c1ccccn1,SWCCRWQJBRCZHL-UHFFFAOYSA-N,2,1,0.461,95,493,438.904,3.318,5,0.401,0.6,0.999,0.38409807415530123,0.36026488931533135,0.06565691179494208,0.1097508738263313,0.22994268727297648
EOS-2-14504,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)c1,YLLUYKFNLLHWIY-UHFFFAOYSA-N,2,1,0.518,15,931,438.904,3.318,5,0.401,0.66,1.0,0.3841066410801179,0.5105116167500514,0.06998320882735933,0.12379206360084984,0.2720983825645946
EOS-2-14505,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ncn2)cn1,WCOYVNQDPYNAPR-UHFFFAOYSA-N,2,1,0.419,31,194,438.904,3.318,5,0.401,0.57,0.999,0.41456205880337194,0.3458810225481461,0.2753323966828867,0.2882941539305051,0.3310174079912275
EOS-2-14506,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,BUXQLUWGCQVEOJ-UHFFFAOYSA-N,2,1,0.462,87,227,438.904,3.318,5,0.401,0.64,1.0,0.4879806044822151,0.5019104242341169,0.242572476183949,0.28830272085532177,0.3801915564389007
EOS-2-14507,Cc1c(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cnn1C,VMYHXVGLRIGTOE-UHFFFAOYSA-N,2,1,0.418,53,182,438.904,3.584,5,0.413,0.67,1.0,0.28372798300322116,0.3358234528133781,0.24607634843396614,0.24960592145843327,0.2788084264272496
EOS-2-14508,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)o1,NKRLNGFQDZCDNX-UHFFFAOYSA-N,2,1,0.553,72,889,438.9,4.486,5,0.385,0.72,1.0,0.8983534370502364,0.8631776437529984,0.3301350147351107,0.34475018847234595,0.6091040710026729
EOS-2-14509,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)n1,ZJHFZTBWLJRRQX-UHFFFAOYSA-N,2,1,0.547,15,320,438.9,4.486,5,0.385,0.74,1.0,0.8744088821876499,0.8441333698855459,0.3227845932424097,0.3384277979576451,0.5949386608183127
EOS-2-14510,Cc1coc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)n1,SQTCWUVJVMJGMW-UHFFFAOYSA-N,2,1,0.473,87,173,438.9,4.486,5,0.385,0.68,1.0,0.6814560345418409,0.6284696045507505,0.3446816530738126,0.3447587553971626,0.49984151189089165
EOS-2-14511,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)co2)cs1,JCDUMFGZBPQZEH-UHFFFAOYSA-N,2,1,0.505,58,981,438.9,4.486,5,0.361,0.67,1.0,0.5179134397916524,0.4791309711465972,0.4009492152696868,0.3900949215269687,0.4470221369337263
EOS-2-14512,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)o1,FMIAAABNWVASDI-UHFFFAOYSA-N,2,1,0.506,87,579,438.9,4.486,5,0.385,0.69,1.0,0.7511479679254335,0.7868206428620382,0.3561956000274142,0.3512867521074635,0.5613627407305873
EOS-2-14513,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)no1,ZOICKSMVEDXVJH-UHFFFAOYSA-N,2,1,0.535,15,561,438.9,4.486,5,0.385,0.73,1.0,0.7451425536289493,0.7392313755054486,0.2863237612226715,0.3192293194434926,0.5224817524501405
EOS-2-14514,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)no1,JXYRMPLHTRQZQE-UHFFFAOYSA-N,2,1,0.564,15,921,438.9,4.486,5,0.385,0.64,1.0,0.687435748063875,0.6194229319443493,0.33014358165992735,0.3611044479473648,0.4995266774038791
EOS-2-14515,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1O,SESNWHGTZOJWCZ-UHFFFAOYSA-N,2,1,0.489,4,554,438.9,4.191,5,0.442,0.63,1.0,0.6329758070043178,0.614685422520732,0.6245630868343499,0.5846155164142279,0.6142099581934068
EOS-2-14516,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2O)cn1,UCQRFJKUJXJASA-UHFFFAOYSA-N,2,1,0.5,4,554,438.9,4.191,5,0.442,0.58,1.0,0.5439226235350558,0.6381159618943184,0.6512918922623535,0.6089027482694812,0.6105583064903022
EOS-2-14517,FCc1cc(-c2nnc3cncc(-c4ccc(-c5ccsc5)c(F)c4)n23)ccc1Cl,BWAXQTITZJKEAN-UHFFFAOYSA-N,2,1,0.351,96,46,438.89,6.449,5,0.324,0.72,1.0,0.4056610239188541,0.6771640052086902,0.9779830032211637,0.9865413611130148,0.7618373483654307
EOS-2-14518,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cc1,YUYNCYBLKCEMBX-UHFFFAOYSA-N,2,1,0.337,3,668,438.882,4.688,6,0.431,0.76,1.0,0.03987903502158865,0.22465046946747996,0.7558169419505174,0.8133952436433418,0.45843542252073194
EOS-2-14519,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)cn2)c1,FMXVFPLKYBFKQH-UHFFFAOYSA-N,2,1,0.315,3,668,438.882,4.688,6,0.431,0.79,0.983,0.02564937290110342,0.1654273182098554,0.7211123295181961,0.7843876362141046,0.4241441642108149
EOS-2-14520,N#Cc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c1,KIYHRSOIALAFBA-UHFFFAOYSA-N,2,1,0.524,1,230,438.878,4.957,5,0.36,0.79,1.0,0.8636745253923651,0.8602049208416147,0.9293400041121239,0.9304023027893907,0.8959054382838736
EOS-2-14521,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5Cl)nc4)n23)cc1,LJFXFZFFISJXBO-UHFFFAOYSA-N,2,1,0.571,1,709,438.878,4.957,5,0.385,0.82,1.0,0.9720461243232129,0.9464310191213762,0.9136282639983552,0.9209444177917895,0.9382624563086834
EOS-2-14522,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)cc1,AVPQCHOYLFTUNB-UHFFFAOYSA-N,2,1,0.59,1,230,438.878,4.957,5,0.385,0.8,1.0,0.9592728394215613,0.9427815091494757,0.9232917551915565,0.9230518812966897,0.9370994962648209
EOS-2-14523,N#Cc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,KJPNBSIYUBLKQO-UHFFFAOYSA-N,2,1,0.593,1,347,438.878,4.957,5,0.385,0.79,1.0,0.9179202933315057,0.9655523953121787,0.9050013707079707,0.915564389006922,0.9260096120896443
EOS-2-14524,Clc1ccc(-c2nnc3cncc(OCc4cncc(C#Cc5ccccc5)n4)n23)cc1,BPXMYGAOWOOEPE-UHFFFAOYSA-N,2,1,0.585,1,347,438.878,4.214,5,0.391,0.73,1.0,0.8657734219724488,0.9638218764992118,0.787574532245905,0.8067130422863409,0.8559707182509766
EOS-2-14525,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)cc1,NISLZFFPYCMTEY-UHFFFAOYSA-N,2,1,0.537,12,347,438.878,4.957,5,0.36,0.77,1.0,0.887739017202385,0.9310276883010075,0.9050099376327874,0.912343225275855,0.9090299671030087
EOS-2-14526,N#Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)c1,YLVUXFFGOCMDGJ-UHFFFAOYSA-N,2,1,0.512,1,560,438.878,4.957,5,0.385,0.82,1.0,0.7941881982043726,0.8112192447399081,0.914613460352272,0.9292629017887739,0.8623209512713317
EOS-2-14527,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)cc1,IWPBBWALAHZJOG-UHFFFAOYSA-N,2,1,0.658,1,709,438.878,4.957,5,0.385,0.81,1.0,0.9803560413953807,0.9795336166129806,0.9249880063052567,0.9304108697142074,0.9538221335069563
EOS-2-14528,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)c1,CWAXQOJHNOXERG-UHFFFAOYSA-N,2,1,0.568,1,230,438.878,4.957,5,0.385,0.8,1.0,0.9654667260640121,0.9372472757179083,0.9175861832636557,0.9198307175656226,0.9350327256527997
EOS-2-14529,Cc1nc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1-c1cscn1,LUXGYMJQNPXKTM-UHFFFAOYSA-N,2,1,0.416,13,110,438.875,5.203,5,0.383,0.64,0.999,0.6105218970598314,0.6920019189911589,0.7103694057980947,0.7446456719895826,0.6893847234596668
EOS-2-14530,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)nc1,MILGXUWSEGOPFJ-UHFFFAOYSA-N,2,1,0.562,4,82,438.875,4.681,5,0.396,0.78,1.0,0.7657288739634021,0.782597148927421,0.6733174559660065,0.7100952642039613,0.7329346857651977
EOS-2-14531,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4ccsc4)cn3)n12,OWHAMFWRJFIEBS-UHFFFAOYSA-N,2,1,0.55,73,969,438.875,4.681,5,0.396,0.76,1.0,0.7539065177164005,0.9131056815845384,0.7287540264546638,0.7820317318895209,0.7944494894112809
EOS-2-14532,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,UEAUEXNHUVTTKS-UHFFFAOYSA-N,2,1,0.575,43,178,438.875,4.681,5,0.396,0.82,1.0,0.7799842368583373,0.8074497978205744,0.8538739634020972,0.8735179220067165,0.8287064800219314
EOS-2-14533,Fc1cc(COc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)c(Cl)cn1,OCEPJYLDSOKYSM-UHFFFAOYSA-N,2,1,0.494,97,91,438.875,4.681,5,0.371,0.68,1.0,0.7714772805153862,0.7482352134877664,0.8273850318689603,0.8354722088958947,0.7956424336920019
EOS-2-14534,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cncnc1,CIDFTLSVOQOBLE-UHFFFAOYSA-N,2,1,0.549,4,817,438.875,4.681,5,0.396,0.73,1.0,0.8565982454937976,0.8823846891919677,0.8377510108971283,0.8539424988006306,0.8576691110958811
EOS-2-14535,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4cccnc4)s3)n12,UZRWAQKYHATMDU-UHFFFAOYSA-N,2,1,0.523,97,89,438.875,4.681,5,0.396,0.68,1.0,0.7772342539921869,0.8851689397573846,0.6705417723254061,0.7342197244876979,0.7667911726406689
EOS-2-14536,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)cn2)ccn1,RTSJSJPRWHTNEP-UHFFFAOYSA-N,2,1,0.471,55,959,438.875,4.681,5,0.371,0.69,1.0,0.7568278390788843,0.8035518470289905,0.8045370433829073,0.8088547734905078,0.7934428757453225
EOS-2-14537,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nc3)n12,SCOSLWYZDATBQI-UHFFFAOYSA-N,2,1,0.531,97,91,438.875,4.681,5,0.371,0.7,1.0,0.847791446782263,0.8569494894112809,0.8311116441642108,0.837476869302995,0.8433323624151875
EOS-2-14538,Fc1cc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccn1,DSMSXHSZFDCYAI-UHFFFAOYSA-N,2,1,0.548,97,436,438.875,4.681,5,0.371,0.75,1.0,0.8155712425467754,0.9225978342814063,0.6868960318004249,0.74987149612775,0.7937341511890892
EOS-2-14539,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cc2)s1,LCXOMVGJLSINLN-UHFFFAOYSA-N,2,1,0.667,13,15,438.875,5.203,5,0.383,0.77,1.0,0.843173874306079,0.8689260503049825,0.7261154136111302,0.7654718662189021,0.8009218011102734
EOS-2-14540,Fc1ccc(Cl)cc1-c1nnc2cncc(OCc3ncc(-c4ccccn4)s3)n12,BWDBONFSLBCCSO-UHFFFAOYSA-N,2,1,0.578,59,850,438.875,4.681,5,0.396,0.76,1.0,0.6134432184223151,0.7526129120690837,0.5973202659173463,0.6876499211842917,0.6627565793982593
EOS-2-14541,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cnsc4)nc3)n12,MZDOEXVUCGCSBR-UHFFFAOYSA-N,2,1,0.506,59,332,438.875,4.681,5,0.396,0.72,1.0,0.7511565348502501,0.7740730587348366,0.8198804057295593,0.8487852100609965,0.7984738023439106
EOS-2-14542,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5ccsc5)n4)n23)ccc1Cl,STGZPWNBBFKYEX-UHFFFAOYSA-N,2,1,0.549,73,539,438.875,4.681,5,0.396,0.75,1.0,0.8840895072304845,0.9343259543554245,0.7182338427797957,0.757581728462751,0.823557758207114
EOS-2-14543,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4cccs4)cn3)n12,WOQSPUYBMIUYJA-UHFFFAOYSA-N,2,1,0.524,73,446,438.875,4.681,5,0.396,0.74,1.0,0.8334932492632444,0.9399801247344254,0.6840946473853745,0.7498800630525666,0.8018620211089027
EOS-2-14544,Fc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)s1,OONXODZAYXVIFL-UHFFFAOYSA-N,2,1,0.658,43,613,438.875,4.681,5,0.396,0.78,1.0,0.9556747309985607,0.9677026934411623,0.702907614282777,0.754925981769584,0.845302755123021
EOS-2-14545,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnsc5)nc4)n23)cc1Cl,KSGMEWJUMBKOSY-UHFFFAOYSA-N,2,1,0.685,59,294,438.875,4.681,5,0.396,0.75,1.0,0.8236584195737098,0.8407494345829621,0.8538825303269139,0.8640086354602152,0.8455747549859502
EOS-2-14546,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1nncs1,SZWMAFLDJMNVDD-UHFFFAOYSA-N,2,1,0.708,43,372,438.875,4.681,5,0.396,0.74,1.0,0.9618257830169282,0.9757213350695634,0.8108765677472415,0.8524004523336303,0.9002060345418409
EOS-2-14547,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cccs1,FNHAETUQCRJKNY-UHFFFAOYSA-N,2,1,0.556,73,335,438.875,4.681,5,0.396,0.79,1.0,0.954843739291344,0.9663662531697622,0.5582979233774245,0.6612809265985882,0.7851972106092797
EOS-2-14548,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccnc(-c4cncs4)c3)n12,AFNARRHTTLTDSE-UHFFFAOYSA-N,2,1,0.537,59,183,438.875,4.681,5,0.396,0.73,1.0,0.8104910561304914,0.7526214789939003,0.8273935987937769,0.8394729627852786,0.8074947741758618
EOS-2-14549,Fc1cc(COc2cncc3nnc(-c4cc(-c5nccs5)ccn4)n23)ccc1Cl,JFOPYLYYCDMSNR-UHFFFAOYSA-N,2,1,0.59,59,692,438.875,4.681,5,0.396,0.75,1.0,0.6904341717497087,0.6333613186210678,0.7697724624768693,0.7960300870399561,0.7223995099719005
EOS-2-14550,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccnc(-c4ccsc4)n3)n12,NJINLTMOTYBIPY-UHFFFAOYSA-N,2,1,0.536,73,539,438.875,4.681,5,0.396,0.69,1.0,0.7997995339592899,0.9111095881022548,0.6762387773284901,0.7342282914125146,0.7803440477006374
EOS-2-14551,Fc1ccc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,PBHJRLLYCHZQIW-UHFFFAOYSA-N,2,1,0.568,1,436,438.875,4.681,5,0.371,0.8,1.0,0.8131125351243917,0.9244996915907066,0.6841032143101912,0.7498886299773834,0.7929010177506682
EOS-2-14552,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4cncs4)c3)n12,PIFWPPXUPJDVAY-UHFFFAOYSA-N,2,1,0.556,97,91,438.875,4.681,5,0.396,0.69,1.0,0.8287985744637105,0.9111181550270715,0.8327736275786444,0.852409019258447,0.8562748440819683
EOS-2-14553,Cc1nc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)cs1,IQDXYSDVEMJJHM-UHFFFAOYSA-N,2,1,0.494,13,110,438.875,5.203,5,0.383,0.75,1.0,0.6506493729011035,0.7114488383249948,0.7261239805359468,0.7473528202316496,0.7088937529984237
EOS-2-14554,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)ccc1Cl,YKVMRBDDDUVUIV-UHFFFAOYSA-N,2,1,0.708,59,183,438.875,4.681,5,0.396,0.74,1.0,0.8877475841272017,0.8229644986635597,0.837759577821945,0.847020423548763,0.8488730210403673
EOS-2-14555,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4ncccn4)s3)n12,ORGWMQLVCDXPLT-UHFFFAOYSA-N,2,1,0.537,4,877,438.875,4.681,5,0.396,0.8,1.0,0.7885682955246385,0.8477229113837297,0.6097423069015147,0.6820043177301076,0.7320094578849976
EOS-2-14556,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccsc5)ncn4)n23)cc1Cl,VUZDAYORNDSWKI-UHFFFAOYSA-N,2,1,0.575,44,488,438.875,4.681,5,0.396,0.72,0.96,0.7829483928449044,0.6723065588376397,0.8181327530669591,0.8414604893427455,0.7787120485230621
EOS-2-14557,Fc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)sn1,FYDSOUTVCJCLCJ-UHFFFAOYSA-N,2,1,0.6,97,232,438.875,4.681,5,0.371,0.67,0.999,0.85008738263313,0.8978908231101363,0.692490233705709,0.7654804331437187,0.8014872181481735
EOS-2-14558,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5F)n34)ccn2)s1,DXTJIFXETUXTSX-UHFFFAOYSA-N,2,1,0.494,13,110,438.875,5.203,5,0.383,0.79,1.0,0.6844030566787745,0.7740816256596532,0.7389143992872319,0.7602032074566514,0.7394005722705779
EOS-2-14559,COc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(F)cc3Cl)n12,WIHZNMOJNJXGSD-UHFFFAOYSA-N,2,1,0.411,96,46,438.875,4.778,5,0.402,0.76,1.0,0.34020115139469537,0.5199266671235693,0.8293896922760606,0.8470289904735796,0.6341366253169762
EOS-2-14560,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccnnc1,SBDMOIOTJNAXIT-UHFFFAOYSA-N,2,1,0.549,4,554,438.875,4.681,5,0.396,0.68,1.0,0.7998081008841066,0.8717617024192996,0.8408693715303954,0.8591340552395312,0.8428933075183332
EOS-2-14561,Fc1cc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)ccc1-c1cncnc1,LQGUAKFJFOHTMJ-UHFFFAOYSA-N,2,1,0.543,16,817,438.875,4.681,5,0.396,0.71,1.0,0.9165324515112055,0.8631862106778151,0.8672212322664656,0.8735264889315332,0.8801165958467548
EOS-2-14562,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4cncs4)n3)n12,PYRVQDZNABBCEI-UHFFFAOYSA-N,2,1,0.554,4,436,438.875,4.681,5,0.396,0.69,1.0,0.6932698238640258,0.8956634226578027,0.7211208964430128,0.7654890000685354,0.7688857857583442
EOS-2-14563,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)ccc1Cl,NYSBHYJYNZAKRA-UHFFFAOYSA-N,2,1,0.62,59,850,438.875,4.681,5,0.396,0.75,1.0,0.779992803783154,0.9152645466383387,0.8128383935302583,0.8234613803029265,0.8328892810636693
EOS-2-14564,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)nc1,XHRKXVSEKOZSPZ-UHFFFAOYSA-N,2,1,0.5,24,786,438.875,4.681,5,0.396,0.78,1.0,0.8183383592625592,0.8689346172297991,0.7103779727229114,0.7473613871564663,0.7862530840929339
EOS-2-14565,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)sn2)ccn1,UAGNVTVAELSLBG-UHFFFAOYSA-N,2,1,0.6,97,232,438.875,4.681,5,0.371,0.66,1.0,0.8950294702213694,0.9048814337605373,0.7340655198409979,0.7937084504146391,0.8319212185593859
EOS-2-14566,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc(-c2nccs2)c1,WDGWZOBUBNXKAG-UHFFFAOYSA-N,2,1,0.575,34,268,438.875,4.681,5,0.396,0.74,1.0,0.7913611130148722,0.9188198204372559,0.6513004591871702,0.7233311630457131,0.7712031389212528
EOS-2-14567,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5cccc(Cl)c5)n34)s2)cc1,OPLPJCIHVCECTI-UHFFFAOYSA-N,2,1,0.573,34,372,438.875,4.681,5,0.396,0.81,1.0,0.6190031526283325,0.8657819888972654,0.5684154615859092,0.7181824412308958,0.6928457610856007
EOS-2-14568,COc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,WVYJWEVBQCSLSU-UHFFFAOYSA-N,2,1,0.411,96,46,438.875,4.778,5,0.402,0.73,1.0,0.36317764375299844,0.5809403056678775,0.8311202110890274,0.8452813378109794,0.6551298745802208
EOS-2-14569,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cs2)cn1,JINVTSHEGQRFDR-UHFFFAOYSA-N,2,1,0.568,1,436,438.875,4.681,5,0.371,0.75,1.0,0.8236669864985265,0.9245082585155233,0.6733260228908231,0.7342368583373312,0.7889345315605509
EOS-2-14570,Fc1csc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,WISYFZHLPIADPG-UHFFFAOYSA-N,2,1,0.615,97,232,438.875,4.681,5,0.396,0.64,1.0,0.9365105201836749,0.939988691659242,0.7313583715989308,0.7703036118155027,0.8445402988143376
EOS-2-14571,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cccs5)nn4)n23)ccc1Cl,YQAGWHJMOBDDHE-UHFFFAOYSA-N,2,1,0.549,4,391,438.875,4.681,5,0.396,0.79,1.0,0.8913114248509355,0.9414707696525255,0.710386539647728,0.767844904393119,0.827753409636077
EOS-2-14572,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cs2)c1,ARXHPJMCAAHYSQ-UHFFFAOYSA-N,2,1,0.554,34,436,438.875,4.681,5,0.396,0.79,1.0,0.8053166335412241,0.9188283873620725,0.665076074292372,0.7422554999657323,0.7828691487903501
EOS-2-14573,Fc1cccc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,KVYMGLBDOLTOKI-UHFFFAOYSA-N,2,1,0.577,34,929,438.875,4.681,5,0.396,0.79,1.0,0.6599102186279213,0.8905147008429855,0.5553937358645741,0.7101038311287781,0.7039806216160647
EOS-2-14574,Fc1cc(-c2nnc3cncc(OCc4csc(-c5ccccn5)n4)n23)ccc1Cl,CTQZJGZWXDFSTB-UHFFFAOYSA-N,2,1,0.612,24,268,438.875,4.681,5,0.396,0.76,1.0,0.782956959769721,0.902414159413337,0.627218833527517,0.6904170379000754,0.7507517476526626
EOS-2-14575,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cs2)nc1,LSNFBWCMCKHEBN-UHFFFAOYSA-N,2,1,0.57,34,268,438.875,4.681,5,0.396,0.78,1.0,0.815579809471592,0.9296312795558906,0.6126122267150983,0.7017082448084435,0.764882890137756
EOS-2-14576,Fc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,QRHFBNBXYVZVOX-UHFFFAOYSA-N,2,1,0.625,34,929,438.875,4.681,5,0.396,0.78,1.0,0.759749160441368,0.9092419984922212,0.5751661983414433,0.7233397299705298,0.7418742718113904
EOS-2-14577,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cccc(-c4cnns4)c3)n12,ACLCWTHLRVIBAJ-UHFFFAOYSA-N,2,1,0.556,43,630,438.875,4.681,5,0.396,0.77,1.0,0.590569529161812,0.7068226989239943,0.8508070043177302,0.87482009457885,0.7557548317455967
EOS-2-14578,Fc1cc(COc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)cnc1Cl,ZOFAQFVYMVNXGT-UHFFFAOYSA-N,2,1,0.518,97,91,438.875,4.681,5,0.371,0.65,1.0,0.7742872318552533,0.6920104859159756,0.819888972654376,0.8215937906928928,0.7769451202796245
EOS-2-14579,Cc1nc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cs1,MEAWUQBVEAHMKW-UHFFFAOYSA-N,2,1,0.448,13,995,438.875,5.203,5,0.383,0.7,1.0,0.5816513604276609,0.6625145637721883,0.7742872318552533,0.7866321705160716,0.7012713316427935
EOS-2-14580,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4nccs4)c3)n12,FKKMPNYKBQCMNS-UHFFFAOYSA-N,2,1,0.535,97,89,438.875,4.681,5,0.396,0.76,1.0,0.8311116441642108,0.904890000685354,0.7651034884517853,0.7982232197930231,0.8248320882735933
EOS-2-14581,Fc1ccc(Cl)cc1-c1nnc2cncc(OCc3ccc(-c4cncs4)cn3)n12,KSAAXFUQNAJVNL-UHFFFAOYSA-N,2,1,0.61,97,71,438.875,4.681,5,0.396,0.74,1.0,0.6874443149886916,0.8188695086011926,0.791806593105339,0.8155969433212255,0.7784293400041121
EOS-2-14582,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nncs5)cc4)n23)ccc1Cl,MVQANNBMPRXUKU-UHFFFAOYSA-N,2,1,0.662,43,909,438.875,4.681,5,0.396,0.71,1.0,0.9517425125077102,0.9712922349393461,0.8377681447467618,0.8555616475909807,0.9040911349461997
EOS-2-14583,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4cscn4)nc3)n12,OXILGFZVJUCXNE-UHFFFAOYSA-N,2,1,0.568,24,389,438.875,4.681,5,0.396,0.69,1.0,0.8723528202316496,0.9207559454458227,0.7791189774518539,0.8024895483517237,0.8436793228702624
EOS-2-14584,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccnc(-c4cncs4)c3)n12,JRVHWTZPVNWHMU-UHFFFAOYSA-N,2,1,0.543,97,109,438.875,4.681,5,0.396,0.7,1.0,0.8657819888972654,0.9262644781029402,0.7985744637105064,0.8216023576177095,0.8530558220821054
EOS-2-14585,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cn1,HESZNXUYKKTSLI-UHFFFAOYSA-N,2,1,0.524,4,31,438.875,4.681,5,0.371,0.62,1.0,0.6844116236035912,0.7911983414433555,0.6869045987252416,0.7314868754711809,0.7235003598108423
EOS-2-14586,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)cn2)cn1,MNZBNHKOAPOVOY-UHFFFAOYSA-N,2,1,0.488,55,959,438.875,4.681,5,0.371,0.71,1.0,0.8210198067301762,0.8267168117332603,0.8025666506750737,0.8067216092111575,0.814256219587417
EOS-2-14587,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4csnn4)cc3)n12,CFTUVFYNEUUJMU-UHFFFAOYSA-N,2,1,0.597,43,909,438.875,4.681,5,0.396,0.79,1.0,0.7330631896374478,0.8799688163936673,0.8362175313549448,0.8672212322664656,0.8291176924131314
EOS-2-14588,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4csnn4)cc3)n12,OPDMSZARMFLMOL-UHFFFAOYSA-N,2,1,0.571,43,671,438.875,4.681,5,0.396,0.81,1.0,0.6932783907888425,0.7949592214378727,0.804545610307724,0.8487937769858132,0.785394249880063
EOS-2-14589,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4)n23)c(Cl)c1,FSCFCCDFNVUCQK-UHFFFAOYSA-N,2,1,0.597,43,909,438.875,4.681,5,0.396,0.81,1.0,0.684420190528408,0.8267253786580769,0.8344184771434446,0.8688232472071825,0.8035968233842781
EOS-2-14590,Fc1cc(COc2cncc3nnc(-c4cc(-c5cncs5)ccn4)n23)ccc1Cl,ZUTLFJMKHUIUFB-UHFFFAOYSA-N,2,1,0.597,59,153,438.875,4.681,5,0.396,0.72,1.0,0.730218970598314,0.662523130697005,0.8311287780138441,0.8470375573983963,0.7677271091768898
EOS-2-14591,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3cc(-c4cncs4)ccn3)n12,NSGLGBQEKHHWCG-UHFFFAOYSA-N,2,1,0.453,59,160,438.875,4.681,5,0.396,0.68,1.0,0.6190117195531492,0.6194314988691659,0.8148002193132753,0.8394815297100953,0.7231812418614214
EOS-2-14592,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4nncs4)cc3)n12,VFDKPAWMPSPTGW-UHFFFAOYSA-N,2,1,0.575,43,178,438.875,4.681,5,0.396,0.73,1.0,0.9247395654855733,0.9296398464807073,0.8293982592008773,0.8470461243232129,0.8827059488725927
EOS-2-14593,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3cccc(-c4nncs4)c3)n12,IGIZOQCQQKRMRL-UHFFFAOYSA-N,2,1,0.536,43,433,438.875,4.681,5,0.396,0.71,1.0,0.8053252004660407,0.8602134877664314,0.8108851346720581,0.8414690562675622,0.8294732197930231
EOS-2-14594,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)ccc1Cl,ITWJJXHOYNGZIK-UHFFFAOYSA-N,2,1,0.718,24,912,438.875,4.681,5,0.396,0.73,1.0,0.8858285929682681,0.8304605578781441,0.7767116715783702,0.7960386539647728,0.8222598690973888
EOS-2-14595,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3scnc3-c3cccnc3)n12,VOQXPHOVJFRFQY-UHFFFAOYSA-N,2,1,0.529,97,109,438.875,4.681,5,0.396,0.75,1.0,0.7941967651291892,0.8956719895826194,0.6705503392502228,0.7473699540812829,0.7769472620108285
EOS-2-14596,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)c1,BNCLUKOKEOGJAY-UHFFFAOYSA-N,2,1,0.548,75,183,438.875,4.681,5,0.396,0.7,1.0,0.7177969296141457,0.769781029401686,0.765112055376602,0.7960472208895895,0.7621843088205057
EOS-2-14597,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4cscn4)cn3)n12,ULTFKUHUNHNINR-UHFFFAOYSA-N,2,1,0.6,4,850,438.875,4.681,5,0.396,0.69,1.0,0.7330717565622644,0.897899390034953,0.7791275443766705,0.8046398464807073,0.8036846343636488
EOS-2-14598,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cc1,RLGYJTMEHCQFCN-UHFFFAOYSA-N,2,1,0.449,34,207,438.875,4.681,5,0.396,0.66,1.0,0.672349393461723,0.7297220889589473,0.7514135425947502,0.8234699472277431,0.744238743060791
EOS-2-14599,N=c1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)n[nH]1,BVPLXOFQWUCHBT-UHFFFAOYSA-N,2,1,0.394,46,395,438.864,2.14,5,0.424,0.52,0.162,0.4540213145089439,0.3839952710575012,0.09992461106161332,0.11915735727503256,0.26427463847577276
EOS-2-14600,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1cn[nH]c1,NIMUYBAZMQNPAX-UHFFFAOYSA-N,2,1,0.593,95,381,438.854,3.329,5,0.436,0.64,0.859,0.5734699472277431,0.5019189911589336,0.6037026249057639,0.6355715852237681,0.5786657871290521
EOS-2-14601,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)nn1C,GSFHVZQSEAMLAB-UHFFFAOYSA-N,2,1,0.561,95,998,438.854,3.297,5,0.418,0.65,0.999,0.4192567336029059,0.4125916660955383,0.5684240285107258,0.587631073949695,0.4969758755397163
EOS-2-14602,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nn2C)cn1,STUBCWJAZCBGRZ-UHFFFAOYSA-N,2,1,0.411,95,956,438.854,3.993,5,0.412,0.71,1.0,0.2518590226852169,0.36488246179151534,0.4658693715303954,0.4959564114865328,0.39464181687341515
EOS-2-14603,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nn2C)cn1,ZPZPHTNYCDNTLC-UHFFFAOYSA-N,2,1,0.595,95,998,438.854,3.297,5,0.418,0.81,0.998,0.45179391405661024,0.41260023302035503,0.6157048865739154,0.6151908710849153,0.5238224761839491
EOS-2-14604,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)nn1C,GRCHJKXKABBSLF-UHFFFAOYSA-N,2,1,0.429,95,998,438.854,3.297,5,0.418,0.61,0.996,0.33304776917277773,0.364891028716332,0.545079158385306,0.5816342265780275,0.45616304571311084
EOS-2-14605,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)nn1C,KDGOESKGJPJZQV-UHFFFAOYSA-N,2,1,0.429,95,998,438.854,3.297,5,0.418,0.64,0.996,0.342582756493729,0.36986841203481596,0.5450877253101227,0.5783102597491604,0.4589622883969571
EOS-2-14606,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)n(C)n1,VRGLAGHVSHYRME-UHFFFAOYSA-N,2,1,0.535,36,391,438.854,3.297,5,0.418,0.66,1.0,0.517922006716469,0.7019738194777603,0.4263073127270235,0.45594030566787747,0.5255358611472825
EOS-2-14607,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)n(C)n1,WQZIWVHUVLPWDE-UHFFFAOYSA-N,2,1,0.455,36,877,438.854,3.297,5,0.418,0.6,0.999,0.442284627510109,0.5862432321293949,0.3372798300322116,0.39906449181001985,0.44121804537043385
EOS-2-14608,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)o1,NCLHCASYQYZDND-UHFFFAOYSA-N,2,1,0.789,91,781,438.85,4.199,5,0.395,0.8,1.0,0.9014460969090535,0.8931875813857858,0.7416129806044822,0.7233482968953464,0.814898738948667
EOS-2-14609,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccncc4Cl)n23)cc1F,QVQWBSZDEXMQQK-UHFFFAOYSA-N,2,1,0.494,90,536,438.85,3.45,5,0.495,0.89,1.0,0.5964378726612295,0.4353882530326914,0.5004197793160168,0.612158179699815,0.5361010211774382
EOS-2-14610,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)cc2F)cn1,CEFSUDUFPVHOMA-UHFFFAOYSA-N,2,1,0.523,37,563,438.85,4.199,5,0.395,0.69,1.0,0.745151120553766,0.7392399424302653,0.7857583441847714,0.7678534713179357,0.7595007196216845
EOS-2-14611,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)cc1F,HTAQUAMHWCBTLG-UHFFFAOYSA-N,2,1,0.511,26,563,438.85,4.199,5,0.395,0.75,1.0,0.8821533822219176,0.7782794188198204,0.767562195874169,0.7524758412720169,0.795117709546981
EOS-2-14612,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)ccc1F,OOEHLAWFBDBFNQ-UHFFFAOYSA-N,2,1,0.506,26,125,438.85,4.199,5,0.395,0.76,1.0,0.8386419710780618,0.7826057158522377,0.769781029401686,0.760211774381468,0.7878101226783634
EOS-2-14613,COc1cc(-c2nnc3cncc(OCc4cc(-c5ncn(C)n5)on4)n23)ccc1Cl,CEUCJUCROPMSKG-UHFFFAOYSA-N,2,1,0.523,36,67,438.835,2.816,5,0.394,0.6,1.0,0.4399201562607087,0.5862517990542115,0.2211037625933795,0.19171064354739223,0.359746590363923
EOS-2-14614,COc1cc(-c2nnc3cncc(OCc4cc(-c5ncon5)nn4C)n23)ccc1Cl,XXAWRHAVVXPVSQ-UHFFFAOYSA-N,2,1,0.462,36,67,438.835,2.816,5,0.394,0.56,1.0,0.5260691522171201,0.6237577959015832,0.2244020286477966,0.2059574395175108,0.39504660407100267
EOS-2-14615,COc1cc(-c2nnc3cncc(OCc4nc(-c5cocn5)nn4C)n23)ccc1Cl,RNBFXMKISDLYTH-UHFFFAOYSA-N,2,1,0.462,36,67,438.835,2.816,5,0.394,0.67,0.999,0.5204749503118361,0.6333698855458845,0.1077033787951477,0.12149612774998286,0.34576108560071284
EOS-2-14616,Cc1c(-c2cc(F)c(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)nnn1C,ZJYDKYHCTUDVEO-UHFFFAOYSA-N,2,1,0.363,22,649,438.829,3.889,5,0.425,0.69,1.0,0.23819477760263175,0.45708827359331095,0.6037111918305805,0.7181910081557125,0.504296312795559
EOS-2-14617,Cc1ccc(-c2nnc3cncc(-c4nnn(Cc5ccc(Cl)c(F)c5F)n4)n23)cc1,PAMHQSKXXXRNBA-UHFFFAOYSA-N,2,1,0.329,22,221,438.829,3.733,5,0.397,0.77,0.963,0.3425913234185457,0.4745648002193133,0.6097508738263313,0.7446542389143993,0.5428903090946474
EOS-2-14618,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cc2F)cn1,LYZVEKVGDCTDQP-UHFFFAOYSA-N,2,1,0.662,13,15,438.825,4.916,5,0.398,0.76,1.0,0.6994979782057432,0.79928551847029,0.9560002741415942,0.9570026043451443,0.8529465937906929
EOS-2-14619,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1ccc(F)cc1,FVJCOZOQDGWQDP-UHFFFAOYSA-N,2,1,0.459,34,145,438.825,4.916,5,0.398,0.73,1.0,0.44229319443492565,0.5705828935645261,0.8935388253032691,0.9230604482215065,0.7073688403810569
EOS-2-14620,FC(F)n1cc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)cc2)cn1,CHZXSTWELDUHCJ-UHFFFAOYSA-N,2,1,0.518,13,15,438.825,5.496,5,0.362,0.78,1.0,0.5287934343088205,0.7740901925844699,0.9540727160578438,0.9471335069563429,0.8010224624768694
EOS-2-14621,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccnn4-c4cccc(Cl)c4)n23)cc1,FKJFMNDVFKBWEB-UHFFFAOYSA-N,2,1,0.506,96,121,438.825,4.899,5,0.39,0.68,1.0,0.19681653073812624,0.5756716469056268,0.9409053526146255,0.9530361181550271,0.6666074121033514
EOS-2-14622,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccn(-c5ccc(Cl)cc5)n4)n23)cc1,LUWQHPYQXUEPGS-UHFFFAOYSA-N,2,1,0.5,96,121,438.825,4.899,5,0.39,0.79,1.0,0.14395003769446918,0.5290590089781372,0.9466194914673429,0.9550322116373107,0.643665187444315
EOS-2-14623,Fc1ccc(-n2nccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,TXUHPONNZYAKEA-UHFFFAOYSA-N,2,1,0.615,34,612,438.825,4.488,5,0.404,0.68,1.0,0.7115430744979782,0.9152731135631553,0.9136368309231718,0.9329038448358578,0.8683392159550408
EOS-2-14624,Cn1cc(-c2cc(-c3nnc4cncc(Oc5cc(F)ccc5Cl)n34)ccc2F)cn1,QYIDPSQUCFRAMU-UHFFFAOYSA-N,2,1,0.537,13,145,438.825,4.916,5,0.398,0.71,1.0,0.5760657254471935,0.7912069083681722,0.9520252210266603,0.9550407785621273,0.8185846583510383
EOS-2-14625,Cn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ccc2F)cn1,JUSCUJGYPVEMHW-UHFFFAOYSA-N,2,1,0.653,13,15,438.825,4.916,5,0.398,0.71,1.0,0.6631228154341717,0.8112278116647248,0.957653690631211,0.9594441779178946,0.8478621239120006
EOS-2-14626,Cn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccc2F)cn1,JFNQQJYQZFQFKJ-UHFFFAOYSA-N,2,1,0.531,13,145,438.825,4.916,5,0.398,0.76,1.0,0.565065793982592,0.7609570968405182,0.9513998355150435,0.9537643067644438,0.8077967582756493
EOS-2-14627,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(F)c3-n3cccc3)n12,IJHMDDYOTIUWHG-UHFFFAOYSA-N,2,1,0.523,59,772,438.825,4.488,5,0.404,0.6,1.0,0.7481838119388664,0.7992940853951066,0.9017459392776369,0.9241484476732232,0.8433430710712083
EOS-2-14628,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c(F)c1,JVHDQQPNMCVDQZ-UHFFFAOYSA-N,2,1,0.506,13,145,438.825,4.916,5,0.398,0.75,1.0,0.6723579603865396,0.8744174491124665,0.9471677746556096,0.9463624837228428,0.8600764169693647
EOS-2-14629,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)[nH]n4)n23)c1F,QVRHSVZOWRLDIT-UHFFFAOYSA-N,2,1,0.506,34,146,438.825,4.692,5,0.43,0.77,0.996,0.8453755739839627,0.72516448495648,0.9401857309300253,0.9570111712699609,0.8669342402851072
EOS-2-14630,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)cc2F)cn1,PGTIHNJLAJCYOA-UHFFFAOYSA-N,2,1,0.662,13,15,438.825,4.916,5,0.398,0.76,1.0,0.69950654513056,0.7826142827770544,0.9560088410664108,0.9570197381947776,0.8487873517922007
EOS-2-14631,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(F)c2)cn1,FTDGZIMQAGOKMA-UHFFFAOYSA-N,2,1,0.488,13,145,438.825,4.916,5,0.398,0.79,1.0,0.6050304982523473,0.8339387293537112,0.9483157425810431,0.9505260091837434,0.8344527448427113
EOS-2-14632,Cn1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1-c1ccc(Cl)cc1,JHISCGYUDDGOJB-UHFFFAOYSA-N,2,1,0.459,34,145,438.825,4.916,5,0.398,0.77,1.0,0.4493866081831266,0.5956240148036461,0.8935473922280858,0.9241570145980399,0.7156787574532246
EOS-2-14633,Fc1ccc(F)c(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,QREIDBSYBNRVNF-UHFFFAOYSA-N,2,1,0.542,34,929,438.825,4.488,5,0.404,0.71,0.997,0.8104996230553081,0.8772873689260503,0.922323692687273,0.9407254471934754,0.8877090329655266
EOS-2-14634,Fc1cccc(-n2nccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,RJPMAGAFSQKCNM-UHFFFAOYSA-N,2,1,0.58,34,612,438.825,4.488,5,0.404,0.77,1.0,0.7330803234870811,0.9048985676101706,0.8959461311767528,0.9209529847166061,0.8637195017476527
EOS-2-14635,Fc1ccc(-n2nccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,KYMYCRXHGVXOGF-UHFFFAOYSA-N,2,1,0.575,34,612,438.825,4.488,5,0.404,0.75,1.0,0.6631313823589884,0.8877904187512851,0.892356589678569,0.9221780549653896,0.841364111438558
EOS-2-14636,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccnn3-c3ccccc3F)n12,FVOACABRIKWKGX-UHFFFAOYSA-N,2,1,0.553,34,146,438.825,4.488,5,0.404,0.7,1.0,0.5680213830443424,0.8267339455828936,0.8740319374957165,0.9088393530258378,0.7944066547871976
EOS-2-14637,COc1cc(-c2nnc3cncc(-c4cnn(-c5cc(F)cc(F)c5)c4)n23)ccc1Cl,YUSNNWKDPJNZAP-UHFFFAOYSA-N,2,1,0.341,45,46,438.825,4.584,5,0.41,0.77,1.0,0.09848536769241313,0.48791206908368173,0.9423274621341923,0.945531492015626,0.6185640977314782
EOS-2-14638,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4F)n23)nc1,CZVFQVWYOKQKKN-UHFFFAOYSA-N,2,1,0.38,13,412,438.825,4.916,5,0.373,0.74,1.0,0.6814646014666575,0.8477314783085463,0.940194297854842,0.928072099239257,0.8493656192173258
EOS-2-14639,FCOc1ccc(Cl)cc1-c1nnc2cncc(-c3cnn(-c4ccc(F)cc4)c3)n12,UWHIDYISEFNKCB-UHFFFAOYSA-N,2,1,0.378,45,46,438.825,4.742,5,0.396,0.74,0.987,0.14108868480570214,0.43539681995750806,0.9118292097868549,0.930419436639024,0.6046835377972724
EOS-2-14640,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)cc1Cl,ULONUKAMJFZJDA-UHFFFAOYSA-N,2,1,0.628,13,573,438.825,4.916,5,0.398,0.79,1.0,0.8386505380028785,0.8112363785895415,0.9514084024398601,0.9543639915016106,0.8889148276334726
EOS-2-14641,Cn1nc(-c2ccc(F)cc2)cc1Oc1cncc2nnc(-c3c(F)cccc3Cl)n12,ZSIQHKNOWBVACC-UHFFFAOYSA-N,2,1,0.451,34,671,438.825,4.916,5,0.398,0.78,1.0,0.5847782879857446,0.7949677883626893,0.8778442190391337,0.9066462202727709,0.7910591289150847
EOS-2-14642,Cn1nc(-c2ccc(F)cc2)cc1Oc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,KZXQIKXCHCPHME-UHFFFAOYSA-N,2,1,0.5,34,417,438.825,4.916,5,0.398,0.86,1.0,0.7772428209170036,0.9131142485093551,0.9146220272770886,0.9280806661640737,0.8832649407168802
EOS-2-14643,Cn1nc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1-c1ccc(F)c(F)c1,HSFCVMQCRIAIRD-UHFFFAOYSA-N,2,1,0.422,13,570,438.825,4.916,5,0.398,0.8,1.0,0.39517510794325267,0.5475892673565896,0.8983191693509698,0.9261531080803235,0.6918091631827838
EOS-2-14644,Fc1cccc(COc2cncc3nnc(-c4coc(-c5ccc(Cl)cc5)c4)n23)c1F,HRDKFIYPPUFEAB-UHFFFAOYSA-N,2,1,0.561,57,13,438.821,5.562,5,0.359,0.72,1.0,0.8997755465698033,0.8407580015077788,0.9756527996710301,0.9808871907340141,0.9242683846206565
EOS-2-14645,Fc1ccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)cc1-c1ccoc1,SLHFARBWRZYZPF-UHFFFAOYSA-N,2,1,0.558,59,671,438.821,5.562,5,0.359,0.75,1.0,0.8896408745116853,0.8188780755260092,0.9713779041875128,0.9784884517853472,0.9145963265026387
EOS-2-14646,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cc(F)c(F)o4)cc3)n12,JNWVWTPTKVLPOC-UHFFFAOYSA-N,2,1,0.405,96,558,438.821,5.659,5,0.362,0.81,1.0,0.6329843739291344,0.706831265848811,0.9709409910218628,0.9681824412308958,0.8197347680076761
EOS-2-14647,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)o4)n23)cc1F,IPIIOWBVPJFQTF-UHFFFAOYSA-N,2,1,0.676,57,13,438.821,5.562,5,0.359,0.78,1.0,0.9332379549037078,0.8035604139538072,0.9717291481049962,0.9781457747926804,0.9216683229387979
EOS-2-14648,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)co2)cc1,NSAQDUIQQXFFET-UHFFFAOYSA-N,2,1,0.562,57,146,438.821,5.562,5,0.359,0.74,1.0,0.8877561510520183,0.847740045233363,0.9745905009937633,0.9811356315536974,0.9228055822082105
EOS-2-14649,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)c(Cl)c4)nn3)n12,AYHPRJUQEPOPTN-UHFFFAOYSA-N,2,1,0.42,53,404,438.814,2.143,5,0.406,0.67,1.0,0.45631725035981086,0.5290675759029538,0.13305290932766775,0.2679391405661024,0.34659421903913373
EOS-2-14650,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)nc1F,HCJCTERADAJDEP-UHFFFAOYSA-N,2,1,0.379,7,94,438.814,2.143,5,0.38,0.58,0.899,0.340209718319512,0.4126087999451717,0.20009766294291,0.23508498389418134,0.29700029127544375
EOS-2-14651,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nn[nH]n1,SBDDVWPTORMPMM-UHFFFAOYSA-N,2,1,0.441,31,773,438.814,2.175,5,0.396,0.55,1.0,0.7742957987800699,0.7019823864025769,0.2318209855390309,0.30374031937495716,0.5029598725241587
EOS-2-14652,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1-c1nn[nH]n1,VWWOCERAAOFVEL-UHFFFAOYSA-N,2,1,0.565,37,6,438.814,2.175,5,0.396,0.72,1.0,0.8983620039750532,0.8407665684325955,0.30451134260845725,0.3574977725995477,0.6002844219039134
EOS-2-14653,Cn1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)n1,ACQJLZGSYDDKFJ-UHFFFAOYSA-N,2,1,0.511,36,404,438.814,2.143,5,0.406,0.55,1.0,0.4977640326228497,0.6968850661366596,0.16078404495922144,0.252681447467617,0.402028647796587
EOS-2-14654,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(F)c1,HREHKKCBXLARNQ-UHFFFAOYSA-N,2,1,0.471,51,196,438.814,2.143,5,0.406,0.67,1.0,0.5621187718456583,0.6333784524707011,0.157520046604071,0.23509355081899802,0.39702770543485705
EOS-2-14655,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2F)n1,UBUSYLNFUVUWEM-UHFFFAOYSA-N,2,1,0.383,7,94,438.814,2.143,5,0.38,0.62,0.366,0.4035192927146871,0.4658865053800288,0.1302172572133507,0.16183777671167157,0.29036520800493454
EOS-2-14656,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1F,ZSEWUZSXBSAROJ-UHFFFAOYSA-N,2,1,0.488,51,196,438.814,2.143,5,0.406,0.65,1.0,0.6358285929682681,0.6530309780001371,0.1543245836474539,0.2381862106778151,0.42034259132341856
EOS-2-14657,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2F)n1,AJFMDKZLPALBLA-UHFFFAOYSA-N,2,1,0.489,36,610,438.814,2.143,5,0.406,0.64,1.0,0.5028870536632171,0.5956325817284628,0.20360153519292715,0.25866116098965114,0.39019558289356454
EOS-2-14658,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1,AURRQYQEOGPPDJ-UHFFFAOYSA-N,2,1,0.512,36,728,438.814,2.143,5,0.406,0.76,1.0,0.5680299499691591,0.7697895963265027,0.17366013295867316,0.2883112877801384,0.4499477417586183
EOS-2-14659,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,DGLCWRPXBVOOOM-UHFFFAOYSA-N,2,1,0.518,51,728,438.814,2.143,5,0.406,0.67,1.0,0.48798917140703174,0.7526300459187171,0.15752861352888767,0.26478651223356864,0.4157335857720513
EOS-2-14660,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2F)n1,DYSCQJCDVPVHLN-UHFFFAOYSA-N,2,1,0.472,36,610,438.814,2.143,5,0.406,0.66,1.0,0.5004626139401,0.6049448290041807,0.18973168391474196,0.2558769104242341,0.3877540093208143
EOS-2-14661,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(F)n4)n23)n1,PQRLTXKLEUGBLK-UHFFFAOYSA-N,2,1,0.362,51,775,438.814,2.143,5,0.38,0.53,0.957,0.39073744088821877,0.4173120416695223,0.08811082173942841,0.12150469467479953,0.25441624974299226
EOS-2-14662,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2F)nn1,OOSDGLVXUVCRDU-UHFFFAOYSA-N,2,1,0.366,51,924,438.814,2.143,5,0.38,0.54,0.964,0.35629840312521416,0.39835343705023646,0.14522650949215268,0.18351209649784114,0.2708476115413611
EOS-2-14663,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1nn[nH]n1,OJMYVPZMJJFUFS-UHFFFAOYSA-N,2,1,0.5,20,6,438.814,2.175,5,0.423,0.68,1.0,0.7885768624494551,0.782622849701871,0.2425810431087657,0.33201117126996094,0.5364479816325132
EOS-2-14664,Cn1cc(Cl)nc1-c1cc(-c2nnc3cncc(OCc4nccnc4F)n23)ncn1,JEMUKWLGXMHXMV-UHFFFAOYSA-N,2,1,0.372,7,395,438.814,2.143,5,0.406,0.6,0.007,0.4168408608046056,0.41261736686998834,0.11030772393941471,0.14365876225070248,0.27085617846617777
EOS-2-14665,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cc1F,NCCURINTMLPWHW-UHFFFAOYSA-N,2,1,0.485,36,728,438.814,2.143,5,0.406,0.67,1.0,0.5234391062984032,0.6333870193955178,0.18974025083955864,0.2734134055239531,0.4049949455143582
EOS-2-14666,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)c(F)c1,APVWDYDUQQGNBO-UHFFFAOYSA-N,2,1,0.47,36,728,438.814,2.143,5,0.406,0.68,1.0,0.48298608731409776,0.6194400657939826,0.1931327530669591,0.2734219724487698,0.3922452196559523
EOS-2-14667,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nc1F,AFCJUPYCXMWRDO-UHFFFAOYSA-N,2,1,0.37,51,924,438.814,2.143,5,0.38,0.53,0.776,0.43992872318552534,0.46589507230484545,0.10241758618326366,0.1389383866767185,0.2867949420875882
EOS-2-14668,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2F)n1,QZSQAMXEPOTVJX-UHFFFAOYSA-N,2,1,0.449,36,610,438.814,2.143,5,0.38,0.71,1.0,0.5650743609074087,0.6426221643478857,0.15753718045370435,0.22035844013432937,0.39639803646083205
EOS-2-14669,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(F)c1,MXMCDBLFCUSOSB-UHFFFAOYSA-N,2,1,0.472,36,728,438.814,2.143,5,0.406,0.63,1.0,0.46799396888492906,0.6098622438489479,0.20719964361592763,0.2765146323075869,0.39039262216434784
EOS-2-14670,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cc2Cl)o1,UUAYMLRIEGYCBI-UHFFFAOYSA-N,2,1,0.494,97,55,438.81,3.02,5,0.403,0.62,1.0,0.7240764855047632,0.5910150092522788,0.6272274004523336,0.6025203892810637,0.6362098211226098
EOS-2-14671,Fc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncno1,SFRMRTAIPMLWOQ-UHFFFAOYSA-N,2,1,0.446,18,578,438.81,3.045,5,0.368,0.6,1.0,0.659918785552738,0.6003529573024468,0.38629977383318487,0.4244568569666233,0.5177570934137482
EOS-2-14672,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1nnco1,BZYHQNGBSSZIJW-UHFFFAOYSA-N,2,1,0.506,72,482,438.81,3.045,5,0.394,0.67,1.0,0.8896494414365019,0.8569580563360976,0.3712733877047495,0.43405181276129123,0.6379831745596601
EOS-2-14673,Cc1nc(-c2cnc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)cn2)no1,XVQUTRVWGNIBFO-UHFFFAOYSA-N,2,1,0.488,73,877,438.81,3.311,5,0.407,0.67,1.0,0.5816599273524775,0.6576656843259544,0.25666506750736756,0.3384363648824618,0.4586067610170653
EOS-2-14674,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2F)o1,BMTXJRTZPXALJM-UHFFFAOYSA-N,2,1,0.451,46,237,438.81,3.311,5,0.381,0.56,1.0,0.5387139332465218,0.5616047563566582,0.2827684874237544,0.32239908162565967,0.4263715646631485
EOS-2-14675,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2F)n1,WTCIJLBFWYNJQA-UHFFFAOYSA-N,2,1,0.398,46,565,438.81,3.311,5,0.381,0.69,1.0,0.6190202864779659,0.5661023918854088,0.3372883969570283,0.35750633952436434,0.46997935371119176
EOS-2-14676,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccon5)ncn4)n23)c1,NQXUGZSORIWEMQ-UHFFFAOYSA-N,2,1,0.421,18,481,438.81,3.045,5,0.368,0.59,0.966,0.5565588376396409,0.47457336714412995,0.382710232335001,0.44002295935850866,0.46346634911932005
EOS-2-14677,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)nn2)cn1,QJCDODXRXGTHSX-UHFFFAOYSA-N,2,1,0.43,53,411,438.81,3.045,5,0.368,0.61,0.84,0.7597577273661846,0.6284781714755672,0.37128195462956615,0.404992803783154,0.5411276643136179
EOS-2-14678,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1ncon1,FNUQNFBSBPFWPH-UHFFFAOYSA-N,2,1,0.529,20,279,438.81,3.045,5,0.394,0.7,1.0,0.8183469261873758,0.7868292097868549,0.35620416695223084,0.42150126790487286,0.5957203927078336
EOS-2-14679,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nnco1,BEEDTLFKDNSCTR-UHFFFAOYSA-N,2,1,0.456,58,773,438.81,3.045,5,0.368,0.55,1.0,0.7942053320540059,0.6426307312727023,0.36742683846206564,0.4084538414090878,0.5531791857994655
EOS-2-14680,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)cnc1Cl,LAEMLEJMMHAVEB-UHFFFAOYSA-N,2,1,0.516,65,981,438.81,3.045,5,0.368,0.62,0.999,0.7024021657185937,0.729730655883764,0.4411280926598588,0.45932424097046126,0.5831462888081694
EOS-2-14681,Cc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)no1,RMWRQGAKVMTEPR-UHFFFAOYSA-N,2,1,0.517,73,212,438.81,3.311,5,0.407,0.67,1.0,0.5847868549105613,0.7655661023918854,0.28277705434857103,0.3705623329449661,0.5009230861489959
EOS-2-14682,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2F)n1,XOBVDQWPUTYSRU-UHFFFAOYSA-N,2,1,0.455,51,379,438.81,3.311,5,0.381,0.75,1.0,0.7998166678089234,0.6920190528407922,0.3079124117606744,0.33844493180727847,0.5345482660544171
EOS-2-14683,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nc2F)no1,KPZVYTILQWJIGW-UHFFFAOYSA-N,2,1,0.419,46,122,438.81,3.311,5,0.381,0.64,1.0,0.5179305736412857,0.542706120211089,0.23535055856349804,0.27652319923240354,0.3931276129120691
EOS-2-14684,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cn2)n1,WUAXSYXZYXJJIE-UHFFFAOYSA-N,2,1,0.449,55,564,438.81,3.311,5,0.407,0.7,1.0,0.7389229662120486,0.647950791583853,0.4187855527379892,0.4307706805565074,0.5591074977725995
EOS-2-14685,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2)n1,BMOAYGJPTIVTCX-UHFFFAOYSA-N,2,1,0.471,51,379,438.81,3.311,5,0.381,0.66,1.0,0.7942138989788226,0.6723151257624563,0.289921869645672,0.3005962579672401,0.5142617880885477
EOS-2-14686,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)o1,JLXGRXKBESWDCB-UHFFFAOYSA-N,2,1,0.542,34,32,438.81,3.311,5,0.407,0.64,0.999,0.887764717976835,0.9049071345349873,0.1767870605167569,0.27343053937358647,0.5607223631005415
EOS-2-14687,Cc1nc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)ccn2)no1,UFAKLRJMDHYIGI-UHFFFAOYSA-N,2,1,0.482,7,980,438.81,3.311,5,0.407,0.67,1.0,0.6661812075937221,0.5809488725926941,0.36743540538688235,0.40846240833390446,0.5057569734768008
EOS-2-14688,Cc1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)o1,BWORWILRULAGRU-UHFFFAOYSA-N,2,1,0.541,4,212,438.81,3.311,5,0.407,0.67,1.0,0.6416883695428689,0.8112449455143582,0.31920361866904257,0.38655678157768486,0.5396734288259887
EOS-2-14689,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cc2F)no1,AJLIVXIXUKXHLW-UHFFFAOYSA-N,2,1,0.506,4,610,438.81,3.311,5,0.381,0.79,1.0,0.6537334658351038,0.7251730518812967,0.39749674456856965,0.4084709752587211,0.5462185593859229
EOS-2-14690,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)cnc1Cl,NIIOYQMFXAYYDY-UHFFFAOYSA-N,2,1,0.516,58,981,438.81,3.045,5,0.368,0.59,0.992,0.8311202110890274,0.7826314166266877,0.4373672126653417,0.4559488725926941,0.6267669282434378
EOS-2-14691,Fc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncon1,VAOQTUWDCZKIMN-UHFFFAOYSA-N,2,1,0.432,58,814,438.81,3.045,5,0.368,0.67,0.999,0.6446353916798027,0.5862603659790282,0.2566736344321842,0.3224076485504763,0.45249426016037286
EOS-2-14692,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cocn1,GBGANPRMWUTRMQ-UHFFFAOYSA-N,2,1,0.432,58,237,438.81,3.045,5,0.368,0.64,0.961,0.6962939483243095,0.6098708107737647,0.2753409636077034,0.3384534987320951,0.4799898053594681
EOS-2-14693,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)n1,CHGJNWUONWOKIZ-UHFFFAOYSA-N,2,1,0.482,51,196,438.81,3.311,5,0.407,0.68,1.0,0.8386591049276951,0.6920276197656089,0.30792097868549106,0.3384620656569118,0.5442674422589268
EOS-2-14694,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncno1,TZWVXKXHLFANBD-UHFFFAOYSA-N,2,1,0.451,18,773,438.81,3.045,5,0.368,0.56,1.0,0.6358371598930848,0.5956411486532794,0.37129052155438286,0.4084795421835378,0.5028120930710712
EOS-2-14695,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(F)n2)no1,FXOBJYVDFVZVIH-UHFFFAOYSA-N,2,1,0.462,55,62,438.81,3.311,5,0.381,0.73,1.0,0.6785175793297238,0.6576742512507711,0.30451990953327396,0.3512953190322802,0.49800176478651226
EOS-2-14696,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncno1,MWDJHJCCMNDECF-UHFFFAOYSA-N,2,1,0.5,37,482,438.81,3.045,5,0.394,0.73,1.0,0.8131211020492084,0.7697981632513193,0.3751884723459667,0.4370588033719416,0.598791635254609
EOS-2-14697,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2F)n1,PUIIHSQEFYVEIZ-UHFFFAOYSA-N,2,1,0.467,7,94,438.81,3.311,5,0.407,0.67,1.0,0.6995151120553766,0.672323692687273,0.3562127338770475,0.3802943595367007,0.5270864745390995
EOS-2-14698,Fc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ncno1,PQJKOUJYGVGDJQ-UHFFFAOYSA-N,2,1,0.443,18,814,438.81,3.045,5,0.368,0.58,0.948,0.5905780960866287,0.5705914604893427,0.3192121855938592,0.3833784524707011,0.46594004866013294
EOS-2-14699,Fc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nnco1,AJFBGBAYLXOKMR-UHFFFAOYSA-N,2,1,0.451,58,237,438.81,3.045,5,0.368,0.54,1.0,0.79982523473374,0.6479593585086697,0.37908642313755053,0.4215098348296895,0.5620952128024125
EOS-2-14700,Fc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncon1,LNMCJSAZMSFSBY-UHFFFAOYSA-N,2,1,0.446,18,773,438.81,3.045,5,0.368,0.59,1.0,0.7451596874785826,0.6333955863203344,0.337296963881845,0.40500137070797065,0.5302134020971832
EOS-2-14701,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)nc1Cl,JTYRADOTRZKPLP-UHFFFAOYSA-N,2,1,0.5,58,579,438.81,3.045,5,0.368,0.71,0.971,0.6963025152491261,0.7160835446508121,0.367443972311699,0.40213145089438695,0.5454903707765061
EOS-2-14702,Fc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncno1,SDLNNBMWWWQIHA-UHFFFAOYSA-N,2,1,0.418,58,814,438.81,3.045,5,0.368,0.64,0.997,0.5680385168939758,0.5661109588102254,0.2827856212733877,0.3415290247412789,0.439616030429717
EOS-2-14703,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)no1,SMTFLAWLHMNZPD-UHFFFAOYSA-N,2,1,0.549,46,488,438.81,3.311,5,0.407,0.68,0.772,0.6904427386745254,0.5809574395175108,0.39750531149338636,0.4496264820779933,0.529632992940854
EOS-2-14704,COc1cc(-c2nnco2)cc(F)c1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,QXVZFIKIXUAUBM-UHFFFAOYSA-N,2,1,0.512,13,209,438.806,4.435,5,0.397,0.74,1.0,0.9342916866561579,0.9343345212802412,0.7918151600301556,0.744662805839216,0.8512760434514426
EOS-2-14705,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)ccc1-c1nnco1,XREIRYVRLIWHTO-UHFFFAOYSA-N,2,1,0.625,13,209,438.806,4.435,5,0.397,0.8,1.0,0.9233260228908231,0.7868377767116715,0.8274021657185937,0.7820402988143376,0.8299015660338565
EOS-2-14706,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnco1,BIGLEFFUPXKEAX-UHFFFAOYSA-N,2,1,0.422,13,110,438.806,4.435,5,0.397,0.69,1.0,0.7024107326434104,0.6049533959289973,0.7053663217051607,0.6642365156603386,0.6692417414844768
EOS-2-14707,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cocn1,UBKFVWCIIVICFU-UHFFFAOYSA-N,2,1,0.418,13,703,438.806,4.435,5,0.397,0.67,1.0,0.705589061750394,0.6530395449249538,0.6762473442533068,0.6442070454389692,0.6697707490919059
EOS-2-14708,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ncco1,ITIMQJNPYPZLKE-UHFFFAOYSA-N,2,1,0.418,13,703,438.806,4.435,5,0.397,0.69,1.0,0.6904513055993421,0.6098793776985814,0.6186519087108492,0.5846240833390446,0.6259016688369543
EOS-2-14709,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)ccc1-c1cocn1,YHHTXUZHYIKVQD-UHFFFAOYSA-N,2,1,0.529,13,573,438.806,4.435,5,0.397,0.67,0.999,0.8386676718525118,0.677172572133507,0.7003632376122267,0.6670978685491056,0.7208253375368378
EOS-2-14710,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)cc1F,OPEOTTUVNNJDGJ-UHFFFAOYSA-N,2,1,0.386,45,102,438.8,4.986,5,0.397,0.72,1.0,0.4350198752655747,0.7912154752929889,0.9728428483311631,0.9847851415255979,0.7959658351038311
EOS-2-14711,Fc1cc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc(F)c1F,ZPWNSTJFOIGZMM-UHFFFAOYSA-N,2,1,0.448,45,102,438.8,4.986,5,0.371,0.76,1.0,0.4704869440065794,0.8267425125077102,0.970289904735796,0.9826005756973477,0.8125299842368584
EOS-2-14712,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cc(F)c(Cl)cc5F)n34)cn2)cn1,NGCBILXXXVOQQH-UHFFFAOYSA-N,2,1,0.342,45,575,438.8,4.986,5,0.293,0.76,1.0,0.4286803509012405,0.7482437804125831,0.9732197930230965,0.9808957576588307,0.7827599204989377
EOS-2-14713,Fc1cc(Cl)c(F)c(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1F,OFSHTFMFCZEZGK-UHFFFAOYSA-N,2,1,0.352,45,102,438.8,4.986,5,0.371,0.79,1.0,0.4444349256390926,0.667372010143239,0.9805616475909807,0.9847937084504146,0.7692905729559317
EOS-2-14714,COc1nnc(-c2cnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)o1,ZEYNHESAIKJDJN-UHFFFAOYSA-N,2,1,0.367,51,924,438.795,1.662,5,0.378,0.52,0.999,0.47315125762456306,0.3698769789596327,0.019840997875402645,0.017133849633335616,0.22000077102323348
EOS-2-14715,Fc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)cn1,IRRLPDIZIRQWHG-UHFFFAOYSA-N,2,1,0.387,46,971,438.785,3.762,5,0.417,0.72,0.993,0.6785261462545404,0.6771811390583237,0.7287625933794805,0.777439860187787,0.7154774347200329
EOS-2-14716,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)c(F)c1Cl,ZDFLZFBLDYHOAC-UHFFFAOYSA-N,2,1,0.391,46,971,438.785,3.762,5,0.391,0.68,0.988,0.7330888904118977,0.7251816188061133,0.7897590980741553,0.804648413405524,0.7631695051744226
EOS-2-14717,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,ZDDWILRUVPKFGA-UHFFFAOYSA-N,2,1,0.667,48,444,438.768,5.061,4,0.407,0.82,1.0,0.9940459872524159,0.9926067438832157,0.9974299225549996,0.9975327256527997,0.9954038448358578
EOS-2-14718,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,ZKCHPPHNXLHBBH-UHFFFAOYSA-N,2,1,0.658,48,444,438.768,5.061,4,0.407,0.78,1.0,0.9965389623740663,0.994405798094716,0.9980210403673497,0.9979182372695498,0.9967210095264204
EOS-2-14719,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c(Cl)c1,UTOGFVNHXZORBV-UHFFFAOYSA-N,2,1,0.703,48,444,438.768,5.061,4,0.407,0.84,1.0,0.9965475292988829,0.9939089164553492,0.9980810088410664,0.9979953395928998,0.9966331985470496
EOS-2-14720,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccccc3OC(F)(F)F)n12,UONUSHHZCDPWDQ-UHFFFAOYSA-N,2,1,0.593,48,444,438.768,5.061,4,0.407,0.78,1.0,0.9899852648893154,0.9890343362346652,0.9968045370433829,0.9960934822835995,0.9929794051127406
EOS-2-14721,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1Cl,BNVAZORTHVCIFT-UHFFFAOYSA-N,2,1,0.853,48,444,438.768,5.061,4,0.407,0.83,1.0,0.99982009457885,0.9978497018710164,0.9984322527585497,0.998115276540333,0.9985543314371873
EOS-2-14722,Fc1cccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1Cl,VHGUAUXUALBCTO-UHFFFAOYSA-N,2,1,0.654,48,444,438.768,5.061,4,0.407,0.76,1.0,0.9980724419162498,0.9944143650195326,0.9980895757658831,0.9979268041943664,0.9971257967240079
EOS-2-14723,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cccc(OC(F)(F)F)c3)n12,ZWQOUXPDYUIDBS-UHFFFAOYSA-N,2,1,0.577,48,444,438.768,5.061,4,0.407,0.88,1.0,0.9805959152902474,0.9841768898636145,0.9971814817353163,0.9971814817353163,0.9897839421561236
EOS-2-14724,Fc1ccc(OC(F)(F)F)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,NAIUSGSKNAWXAO-UHFFFAOYSA-N,2,1,0.649,48,444,438.768,5.061,4,0.407,0.79,1.0,0.9991261736686999,0.9970015763141663,0.9980296072921664,0.9981238434651497,0.9980703001850456
EOS-2-14725,Fc1cc(-c2nnc3cncc(OCc4cccc(OC(F)(F)F)c4)n23)ccc1Cl,RTFPVBXHWJIFTP-UHFFFAOYSA-N,2,1,0.632,48,444,438.768,5.061,4,0.407,0.82,1.0,0.9973271194571997,0.9967445685696662,0.9980981426906997,0.9978668357206497,0.9975091666095538
EOS-2-14726,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccccc3OC(F)(F)F)n12,BEDPTVSUVYAJEK-UHFFFAOYSA-N,2,1,0.544,48,444,438.768,5.061,4,0.407,0.75,1.0,0.9736995408128298,0.9685079843739292,0.9958279076142827,0.9949626482077993,0.9832495202522102
EOS-2-14727,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)c(Cl)c5F)n34)n(C)n2)o1,WPUHJDIDXHMUNU-UHFFFAOYSA-N,2,1,0.387,22,706,461.244,4.121,5,0.368,0.57,1.0,0.515317661572202,0.6625316976218216,0.462374066205195,0.5392793502844219,0.5448756939209101
EOS-2-14730,N#Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)ncn2)nc1,XNNFUULYPTUVQJ-UHFFFAOYSA-N,2,1,0.379,44,971,461.272,4.614,5,0.381,0.73,1.0,0.5964464395860462,0.6003615242272634,0.8219707353848262,0.872010143238983,0.7226972106092797
EOS-2-14731,Brc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)nc1,BFPBPOUFRSEGJN-UHFFFAOYSA-N,2,1,0.554,4,22,461.283,3.38,5,0.393,0.71,1.0,0.663139949283805,0.604961962853814,0.46587793845521214,0.4400315262833253,0.543502844219039
EOS-2-14732,Brc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnc5)n4)n23)cc1,UGCTUNIEDVZRHH-UHFFFAOYSA-N,2,1,0.549,4,539,461.283,3.38,5,0.393,0.67,1.0,0.7451682544033994,0.807458364745391,0.3525289562058803,0.357514906449181,0.565667620450963
EOS-2-14733,Brc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1,XLMPEUWGZZZQPL-UHFFFAOYSA-N,2,1,0.556,7,817,461.283,3.38,5,0.393,0.66,1.0,0.6874528819135083,0.7826399835515043,0.44113665958467546,0.42446542389143993,0.583923737235282
EOS-2-14734,Brc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,ROHNREFREGWAKU-UHFFFAOYSA-N,2,1,0.549,7,817,461.283,3.38,5,0.393,0.74,1.0,0.6506579398259201,0.769806730176136,0.4263158796518402,0.42773798917140704,0.5686296347063258
EOS-2-14735,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Br)c5)n34)cc2)n1,RSZCZQBXAZNQHA-UHFFFAOYSA-N,2,1,0.645,43,909,461.323,4.533,5,0.385,0.76,1.0,0.7800013707079707,0.7068398327736276,0.7261325474607635,0.6820128846549243,0.7237466588993215
EOS-2-14736,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Br)n34)cc2)cn1,XKQIWYXGRHJLDN-UHFFFAOYSA-N,2,1,0.584,43,322,461.323,4.533,5,0.385,0.8,1.0,0.702419299568227,0.6920361866904257,0.7767202385031869,0.7286512233568638,0.7249567370296759
EOS-2-14737,Cn1cc(-c2cccc(COc3cncc4nnc(-c5cccc(Br)c5)n34)c2)cn1,XJHAOFHMQCLCIG-UHFFFAOYSA-N,2,1,0.575,43,623,461.323,4.533,5,0.385,0.76,1.0,0.5288020012336372,0.5568158453841409,0.7675707627989857,0.7260468782125968,0.6448088719073402
EOS-2-14738,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cc5)n34)cc2)cn1,ZIDMGHIAJFBYFP-UHFFFAOYSA-N,2,1,0.699,43,322,461.323,4.533,5,0.385,0.8,1.0,0.6932869577136591,0.6968936330614762,0.7985830306353231,0.7446713727640326,0.7333587485436228
EOS-2-14739,Cn1nccc1-c1cccc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)c1,SOTJJYDAUFDCMD-UHFFFAOYSA-N,2,1,0.667,43,909,461.323,4.533,5,0.385,0.71,1.0,0.7686673291755192,0.6969021999862929,0.7416215475292989,0.7017168117332603,0.7272269721060929
EOS-2-14740,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Br)n34)cc2)n1,AXQDCAQOPXJVFN-UHFFFAOYSA-N,2,1,0.57,43,178,461.323,4.533,5,0.385,0.75,1.0,0.7597662942910013,0.7160921115756288,0.7182424097046124,0.6728291412514564,0.7167324892056748
EOS-2-14741,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)c(F)c4)n23)no1,RVELATSVVYHVQL-UHFFFAOYSA-N,2,1,0.522,36,728,461.339,2.707,5,0.364,0.64,1.0,0.5079672400795011,0.6576828181755877,0.7579672400795011,0.6671064354739222,0.6476809334521281
EOS-2-14742,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)c(F)c4)n23)ccc1F,CEGSNJAOFSYFPC-UHFFFAOYSA-N,2,1,0.628,48,240,461.35,4.461,4,0.394,0.73,1.0,0.9833630320060311,0.9917586183263656,0.9971900486601329,0.9944314988691659,0.9916857994654239
EOS-2-14743,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccc(Cl)c5)cc4)n23)cc1,ZKXSXKVDUIDZMO-UHFFFAOYSA-N,2,1,0.812,83,497,461.352,6.387,5,0.294,0.87,1.0,0.9912446028373655,0.9994088821876499,0.9553406209307107,0.9744791309711466,0.980118309231718
EOS-2-14745,Clc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1,XONSZKVYSDOUKS-UHFFFAOYSA-N,2,1,0.887,83,497,461.352,6.387,5,0.294,0.86,1.0,0.9982951819614831,0.99976869302995,0.9582105407442945,0.9752758549790967,0.9828875676787061
EOS-2-14746,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc2)cc1,IFSVGSAUWPZIBI-UHFFFAOYSA-N,2,1,0.809,83,497,461.352,6.387,5,0.294,0.89,1.0,0.9897710917688987,0.9956737029675827,0.9547837708176273,0.9740507847303133,0.9785698375711055
EOS-2-14748,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c2)cc1,IHDXDOLDIUIBFB-UHFFFAOYSA-N,2,1,0.74,79,497,461.352,6.387,5,0.294,0.84,1.0,0.9618343499417449,0.9828575834418477,0.9507316153793435,0.9727657460078131,0.9670473236926873
EOS-2-14749,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cc1,NFHJTPWGZCFRGB-UHFFFAOYSA-N,2,1,0.743,79,650,461.352,6.387,5,0.294,0.82,1.0,0.9605835789185114,0.9811784661777808,0.9507401823041601,0.9732369268727298,0.9664347885682956
EOS-2-14751,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4Cl)n23)s1,WUUOQKNQQASEKH-UHFFFAOYSA-N,2,1,0.524,24,28,461.359,5.257,5,0.333,0.59,1.0,0.5542457679391406,0.7482523473373998,0.4588359262559112,0.5783188266739772,0.5849132170516071
EOS-2-14752,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncc(Cl)s5)c4)n23)s1,UWNHHUHOPXVUDB-UHFFFAOYSA-N,2,1,0.556,24,486,461.359,5.257,5,0.356,0.67,1.0,0.5593859228291412,0.6530481118497704,0.4934548694400658,0.5996162017682133,0.5763762764717977
EOS-2-14753,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)s5)nc4)n23)s1,ZXRHCSXMKREGDC-UHFFFAOYSA-N,2,1,0.5,24,786,461.359,5.257,5,0.356,0.72,1.0,0.5905866630114454,0.7609656637653348,0.4868497704064149,0.5938592282914125,0.6080653313686519
EOS-2-14754,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5nnc6c(cnn6C(F)F)n5)n34)cc2)nc1,OPBZTHGQUKZFSF-UHFFFAOYSA-N,2,1,0.313,8,635,461.371,2.984,6,0.389,0.7,1.0,0.17679562744157357,0.3262370639435268,0.25668220135700087,0.34153759166609554,0.2753131211020492
EOS-2-14755,O=[N+]([O-])c1cc(-c2nnc3cncc(-c4cncc(OCc5cccc(F)c5)n4)n23)ccc1F,ULZUSXHMJWJLQH-UHFFFAOYSA-N,2,1,0.417,96,837,461.388,4.014,5,0.275,0.71,1.0,0.6416969364676856,0.4570968405181276,0.6869131656500582,0.5460643547392228,0.5829428243437735
EOS-2-14756,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)ccc1OC(F)F,AMCCTAGVKQAIDG-UHFFFAOYSA-N,2,1,0.63,43,431,461.388,3.893,5,0.355,0.66,1.0,0.9179288602563224,0.7912240422178055,0.9166009869097389,0.8539510657254472,0.8699262387773284
EOS-2-14757,Cn1nnnc1-c1cc(C#N)cc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,BVJDPSNTQKPADO-UHFFFAOYSA-N,2,1,0.658,61,941,461.392,3.247,5,0.374,0.72,1.0,0.6785347131793571,0.7782879857446371,0.7651206223014186,0.7286597902816805,0.7376507778767734
EOS-2-14758,O=Cc1cc(-c2cc(-c3nnc4cncc(OCc5ncccc5F)n34)ccc2F)ccc1F,IUKJNVKFPVVVBV-UHFFFAOYSA-N,2,1,0.506,57,146,461.403,4.662,5,0.342,0.72,0.999,0.8155883763964088,0.7782965526694537,0.9429442807209923,0.9364505517099582,0.8683199403742032
EOS-2-14759,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc([N+](=O)[O-])ccc5F)n34)cc2)o1,QDTXXABNXXYYSE-UHFFFAOYSA-N,2,1,0.615,91,889,461.413,3.819,5,0.262,0.72,1.0,0.9299139880748406,0.6530566787745871,0.397513878418203,0.20596600644232746,0.5466126379274896
EOS-2-14760,N#Cc1ncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)nc2)o1,YUVDZSOOXFTZMU-UHFFFAOYSA-N,2,1,0.301,64,449,461.42,3.976,6,0.382,0.64,0.991,0.3539853334247139,0.4745819340689466,0.5110084983894181,0.5460729216640394,0.47141217188677953
EOS-2-14761,N#Cc1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6n[nH]c(F)n6)cc5)n34)ccn2)cn1,SCKZPWNXXMQWIU-UHFFFAOYSA-N,2,1,0.315,42,725,461.424,3.106,6,0.418,0.68,1.0,0.2919350969775889,0.3458895894729628,0.45884449318072784,0.4277465560962237,0.3811039339318758
EOS-2-14762,FC(F)Oc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)nc1,HEOGZUWOBQEGGX-UHFFFAOYSA-N,2,1,0.701,79,881,461.428,5.159,5,0.316,0.81,1.0,0.8589541498183811,0.7698152971009526,0.9213727640326228,0.8735350558563498,0.8559193167020765
EOS-2-14763,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)c(OC)c4)n23)cn1,KKRDGBGOGBSYON-UHFFFAOYSA-N,2,1,0.489,57,209,461.428,4.941,5,0.354,0.79,1.0,0.8983705708998698,0.8339472962785278,0.9249965732300733,0.8354807758207115,0.8731988040572956
EOS-2-14764,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccnc4Oc4ccccc4)n23)cc1,MQWSJKFXHPNWFQ-UHFFFAOYSA-N,2,1,0.701,79,881,461.428,5.159,5,0.316,0.81,1.0,0.9587159893084778,0.8339558632033446,0.9017545062024536,0.8374854362278117,0.8829779487355219
EOS-2-14765,FC(F)Oc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cn2)c1,AVZMWRXDAOMAHW-UHFFFAOYSA-N,2,1,0.543,72,996,461.432,3.866,5,0.343,0.82,1.0,0.813129668974025,0.8744260160372832,0.718250976629429,0.6728377081762731,0.7696610924542526
EOS-2-14766,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccc2F)cc1=O,HSHBBDHEZVOCFQ-UHFFFAOYSA-N,2,1,0.557,37,669,461.432,2.847,5,0.359,0.7,1.0,0.6844287574532246,0.5475978342814063,0.6650846412171887,0.6355801521485848,0.6331728462751011
EOS-2-14767,COc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cn1,UHWGLUWPUKBVNS-UHFFFAOYSA-N,2,1,0.602,59,294,461.432,3.818,5,0.376,0.77,1.0,0.8931875813857858,0.794976355287506,0.6788088547734905,0.5524981152765404,0.7298677266808307
EOS-2-14768,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccc2F)cc1=O,FDRDLCWVEXKWFZ-UHFFFAOYSA-N,2,1,0.528,35,605,461.432,2.847,5,0.383,0.7,1.0,0.6785432801041738,0.5019275580837502,0.6598331163045713,0.6471197998766363,0.6218559385922828
EOS-2-14769,COc1ncc(F)cc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccn1,MXVDWWDLFDFBBO-UHFFFAOYSA-N,2,1,0.557,75,161,461.432,3.552,5,0.363,0.66,1.0,0.7330974573367144,0.6237663628263999,0.6425964635734357,0.5431173326022891,0.6356444040847098
EOS-2-14770,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)cc1,USHVEURLSCOZTM-UHFFFAOYSA-N,2,1,0.593,35,361,461.432,3.866,5,0.343,0.8,1.0,0.9259046672606401,0.9070917003632376,0.8045541772325406,0.742264066890549,0.8449536529367419
EOS-2-14771,FC(F)Oc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)nn1,OVRHHYFYAMNIKP-UHFFFAOYSA-N,2,1,0.516,19,54,461.432,3.866,5,0.343,0.74,1.0,0.7772513878418204,0.6625402645466384,0.6924988006305257,0.6500496881639367,0.6955850352957302
EOS-2-14772,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cn2)ccc1=O,FTIZKMQYAQLZAB-UHFFFAOYSA-N,2,1,0.522,84,73,461.432,2.847,5,0.383,0.67,0.983,0.5905952299362621,0.48322596120896444,0.5652371324789254,0.5460814885888562,0.546284953053252
EOS-2-14773,COc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cnc(F)c(F)c1,UUHMLHGTALVXFC-UHFFFAOYSA-N,2,1,0.454,49,393,461.432,3.552,5,0.339,0.67,0.999,0.7885854293742718,0.5956497155780961,0.6362912069083682,0.5257950106229867,0.6365803406209307
EOS-2-14774,COc1cnc(-c2cc(F)c(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)cn1,HKXKARHGHMPIRD-UHFFFAOYSA-N,2,1,0.54,35,234,461.432,3.552,5,0.363,0.62,1.0,0.8546107189363306,0.7868463436364882,0.6788174216983072,0.5846326502638612,0.7262267836337468
EOS-2-14775,COc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccc(F)c(C)n1,PHRDMQGCGQCHLH-UHFFFAOYSA-N,2,1,0.441,49,267,461.432,3.818,5,0.376,0.64,0.999,0.5991964224521965,0.5756802138304434,0.5418151600301556,0.42775512302104035,0.536111729833459
EOS-2-14776,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nc2F)ccc1=O,ZKOYRVYJERFGRV-UHFFFAOYSA-N,2,1,0.516,19,442,461.432,2.847,5,0.359,0.72,1.0,0.48553903090946476,0.36027345624014806,0.48332019738194776,0.4926838462065657,0.4554541326845316
EOS-2-14777,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)ccc1=O,YCKMOUYLJWVPFZ-UHFFFAOYSA-N,2,1,0.663,84,360,461.432,2.847,5,0.383,0.7,0.989,0.7024278664930437,0.5335309437324378,0.5812058803371941,0.5591117812350079,0.5940691179494209
EOS-2-14778,COc1nc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)ccc1-c1ccc(F)c(F)c1,KHEAKTLYFGPRAR-UHFFFAOYSA-N,2,1,0.415,4,534,461.432,3.818,5,0.376,0.69,1.0,0.6021177438146803,0.5476064012062231,0.6005842642724968,0.5026900143924337,0.5632496059214585
EOS-2-14779,CC(Oc1ccncc1-c1nnc2cncc(OCc3ccc(F)c(F)c3)n12)c1cccnn1,YUWLEOXZHHTIEH-UHFFFAOYSA-N,2,1,0.57,59,294,461.432,3.974,5,0.359,0.63,1.0,0.7240850524295799,0.6771897059831403,0.8568381193886643,0.7602203413062847,0.7545833047769173
EOS-2-14780,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ccc(F)cn1,VLBNZFNFOBETBP-UHFFFAOYSA-N,2,1,0.462,49,501,461.432,3.552,5,0.363,0.57,0.996,0.7270149407168802,0.6194486327187992,0.49013946953601534,0.42776368994585706,0.566091683229388
EOS-2-14781,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cc2F)cn1,VCOYROOCSHRWHA-UHFFFAOYSA-N,2,1,0.545,37,141,461.432,3.552,5,0.363,0.63,1.0,0.8913199917757522,0.8229730655883764,0.6301915564389007,0.5431258995271058,0.7219026283325338
EOS-2-14782,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1cccc(F)n1,RXHPMGUFTUHIFA-UHFFFAOYSA-N,2,1,0.434,49,501,461.432,3.552,5,0.339,0.56,0.997,0.7421012953190322,0.6237749297512165,0.4658865053800288,0.4021400178192036,0.5584756870673703
EOS-2-14783,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cn2)cn1,BCVDLCREBJQJCP-UHFFFAOYSA-N,2,1,0.527,84,672,461.432,3.552,5,0.363,0.73,1.0,0.7998338016585567,0.8074669316702077,0.6626173668699884,0.5656226440956754,0.7088851860736071
EOS-2-14784,COc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccn1,IOSUEZYNOAAGNA-UHFFFAOYSA-N,2,1,0.614,59,294,461.432,3.818,5,0.376,0.74,1.0,0.8636830923171819,0.677198272907957,0.6869217325748749,0.5623500788157083,0.6975382941539305
EOS-2-14785,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ncccc1F,RJQZWTJXYUVAPA-UHFFFAOYSA-N,2,1,0.469,49,501,461.432,3.552,5,0.363,0.62,0.926,0.7389315331368652,0.5862689329038449,0.4481786717839764,0.39907305873483656,0.5431130491398808
EOS-2-14786,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ccc(F)nc1,FFAORPPFGJVBOR-UHFFFAOYSA-N,2,1,0.43,49,501,461.432,3.552,5,0.339,0.63,0.999,0.745176821328216,0.6237834966760332,0.5616818586800082,0.48388561441984784,0.6036319477760262
EOS-2-14787,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cccc(F)n1,MDHHGQDSGBBROP-UHFFFAOYSA-N,2,1,0.443,49,501,461.432,3.552,5,0.339,0.54,1.0,0.777259954766637,0.6146939894455486,0.5485401960112398,0.46861935439654584,0.6022783736549928
EOS-2-14788,COc1cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1ncc(F)cn1,YXDDWCDUZWRXHW-UHFFFAOYSA-N,2,1,0.457,16,467,461.432,3.818,5,0.376,0.68,1.0,0.8763707079706669,0.7297392228085806,0.6788259886231238,0.5258035775478035,0.7026848742375437
EOS-2-14789,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cn2)cc1=O,ALYSSLIYUKIKLT-UHFFFAOYSA-N,2,1,0.516,84,73,461.432,2.847,5,0.383,0.77,1.0,0.5516328558700568,0.44843567952847646,0.6395723391131519,0.6121667466246317,0.5629519052840792
EOS-2-14790,COc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)c(F)cc1-c1ccc(F)cn1,ZJNJGPZGFYOQAM-UHFFFAOYSA-N,2,1,0.462,35,795,461.432,3.552,5,0.363,0.62,1.0,0.7800099376327874,0.7068483996984443,0.5583064903022411,0.48972825714481527,0.633723271194572
EOS-2-14791,COc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1cc(F)cc(C)n1,SJKATVMIDZIJGW-UHFFFAOYSA-N,2,1,0.447,49,267,461.432,3.818,5,0.376,0.64,0.994,0.5964550065108628,0.5290761428277705,0.5485487629360565,0.4432355561647591,0.5293288671098623
EOS-2-14792,Cc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)cn1,VYKPXAJYDQEAIU-UHFFFAOYSA-N,2,1,0.467,27,430,461.432,4.132,5,0.357,0.76,1.0,0.7885939962990884,0.7019909533273936,0.7742957987800699,0.6442156123637859,0.7272740901925845
EOS-2-14793,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1cncc(F)c1,VVKKWPKZBGQUTO-UHFFFAOYSA-N,2,1,0.443,49,501,461.432,3.552,5,0.363,0.63,0.948,0.7302275375231307,0.5956582825029128,0.5485573298608731,0.4838941813446645,0.5895843328078952
EOS-2-14794,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)cc1=O,BJCBWMHXSWNCRP-UHFFFAOYSA-N,2,1,0.533,35,161,461.432,2.847,5,0.383,0.7,1.0,0.602126310739497,0.45265060653827704,0.6788345555479405,0.6527054348571036,0.5965792269207045
EOS-2-14795,COc1nc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1-c1cccnc1,CXUBSKSBVDFHSX-UHFFFAOYSA-N,2,1,0.439,49,501,461.432,3.552,5,0.363,0.69,1.0,0.7178054965389624,0.5661195257350421,0.5719621684600096,0.489736824069632,0.5864060037009114
EOS-2-14796,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cn2)cc1=O,ZIFMFOMKMBWRTR-UHFFFAOYSA-N,2,1,0.505,84,749,461.432,2.847,5,0.383,0.77,1.0,0.5650829278322254,0.4526591734630937,0.6037197587553972,0.5907323007333287,0.5530485401960112
EOS-2-14797,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ccc(F)cn1,RNFJOMIZHCYMTG-UHFFFAOYSA-N,2,1,0.439,49,501,461.432,3.552,5,0.363,0.6,0.987,0.756836406003701,0.609887944623398,0.49346343636488244,0.440040093208142,0.5750569700500309
EOS-2-14798,COc1nc(-c2nnc3cncc(OCCc4cc(F)nc(F)c4)n23)ccc1-c1ccccn1,OGPJRAKBTOKLEE-UHFFFAOYSA-N,2,1,0.467,49,501,461.432,3.552,5,0.339,0.58,1.0,0.8131382358988417,0.5910235761770954,0.5110170653142349,0.4215184017545062,0.5841743197861696
EOS-2-14799,COc1nc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1-c1ccccn1,LRIZTBFPBBPOOK-UHFFFAOYSA-N,2,1,0.442,49,501,461.432,3.552,5,0.363,0.63,0.985,0.727023507641697,0.5661280926598589,0.49687307244191625,0.4244739908162566,0.5536246658899322
EOS-2-14800,COc1nc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1-c1cncnc1,HIDXDASNQOKEJA-UHFFFAOYSA-N,2,1,0.474,49,308,461.432,3.552,5,0.363,0.65,0.997,0.7686758961003358,0.5956668494277294,0.6841117812350079,0.5966520457816462,0.6612766431361798
EOS-2-14801,FC1(F)CCCn2c(-c3ccc(-c4nnc5cncc(OCc6ccnnc6)n45)cc3)nnc21,OVSQXFGNGKYOSE-UHFFFAOYSA-N,2,1,0.462,36,734,461.436,3.304,6,0.392,0.71,1.0,0.44690219998629294,0.34068089918442873,0.08571208279076142,0.20298471660612707,0.2690699746419026
EOS-2-14802,COc1cncc(COc2cncc3nnc(-c4ccc(-c5coc(=O)n5C)c(OC)c4)n23)n1,REEIUKZOYWRAPG-UHFFFAOYSA-N,2,1,0.429,15,248,461.438,2.136,5,0.355,0.65,1.0,0.35868000822424784,0.16163217051607154,0.17991398807484066,0.06737886368309232,0.19190125762456306
EOS-2-14803,Fc1cnc(-c2ncoc2COc2cncc3nnc(-c4ccc(-c5ccco5)s4)n23)nc1,YOGBMHYSGQUKNH-UHFFFAOYSA-N,2,1,0.398,24,297,461.438,4.276,6,0.358,0.66,1.0,0.762970324172435,0.5335395106572545,0.18648481940922487,0.21499554519909533,0.4244975498595024
EOS-2-14804,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5noc(C)n5)c(OC)n4)n23)n1,SSGDTKQHBSCPBH-UHFFFAOYSA-N,2,1,0.384,31,456,461.442,1.973,5,0.332,0.57,1.0,0.32044582276745937,0.08629463367829483,0.015694606264135425,0.00367521074635049,0.10652756836406002
EOS-2-14805,Cn1nc(-c2ccc(C#N)nc2)cc1Oc1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,HFRKPWOZBIJZTO-UHFFFAOYSA-N,2,1,0.374,41,25,461.445,3.906,6,0.375,0.72,1.0,0.4469107669111096,0.36489959564114866,0.5349616201768214,0.4340603796861079,0.44520809060379685
EOS-2-14806,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)nc4)n23)cc1,ICTIHJWPDBLZTM-UHFFFAOYSA-N,2,1,0.658,79,138,461.447,5.494,5,0.334,0.81,1.0,0.9833715989308478,0.9646614351312452,0.9808357891851142,0.9594527448427113,0.9720803920224796
EOS-2-14807,FC(F)(F)c1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,ANFQZQOQKHEQIG-UHFFFAOYSA-N,2,1,0.653,1,883,461.447,5.494,5,0.334,0.8,1.0,0.9748989102871634,0.969878692344596,0.9888458638886986,0.9740593516551299,0.9769207045438969
EOS-2-14808,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cn4)n23)cc1,PSNIUYGENWOZHB-UHFFFAOYSA-N,2,1,0.61,79,650,461.447,5.494,5,0.334,0.77,1.0,0.9625197039270783,0.9558803371941608,0.9803217736961141,0.960078130354328,0.9646999862929203
EOS-2-14809,c1cnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccncn6)nc5)n34)n2)nc1,ALSXNAUUTASQAH-UHFFFAOYSA-N,2,1,0.438,80,34,461.449,2.469,6,0.361,0.61,1.0,0.41684942772942224,0.3794205332054006,0.09265129189226236,0.07681961483106024,0.24143521691453637
EOS-2-14810,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nccnn6)n5)n34)cc2)cn1,IMUGFDIALUMEIN-UHFFFAOYSA-N,2,1,0.43,80,355,461.449,2.469,6,0.361,0.59,1.0,0.46568946610924544,0.4354053868823247,0.14228805428003563,0.1412857240764855,0.2961671578370228
EOS-2-14811,c1cnc(-c2ccnnc2)c(COc2cncc3nnc(-c4cnc(-c5cncnc5)nc4)n23)c1,IZCVKXAYPVEJPQ-UHFFFAOYSA-N,2,1,0.394,80,874,461.449,2.469,6,0.361,0.65,1.0,0.42156123637858955,0.23444246453293127,0.1897488177643753,0.16427078335960524,0.25250582550887535
EOS-2-14812,c1cncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nn5)n34)n2)c1,RBPYGAATPQJODI-UHFFFAOYSA-N,2,1,0.375,80,277,461.449,2.469,6,0.361,0.62,0.998,0.32281029401685973,0.24517682132821603,0.12197587553971627,0.1238006305256665,0.2034409053526146
EOS-2-14813,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccnnc6)cn5)n34)nc2)cn1,HEDOETRKRBDOIW-UHFFFAOYSA-N,2,1,0.372,80,855,461.449,2.469,6,0.361,0.66,1.0,0.3816565005825509,0.28066959084367077,0.19314131999177575,0.15910492769515455,0.253643084778288
EOS-2-14814,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cccnn6)n5)n34)cn2)nc1,BPFUOJNNHWMWKG-UHFFFAOYSA-N,2,1,0.468,80,34,461.449,2.469,6,0.361,0.72,1.0,0.3951836748680694,0.3649081625659653,0.08326194229319443,0.07099410595572614,0.2285869714207388
EOS-2-14815,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)nc2)cn1,NTIIUTMVOVDHCC-UHFFFAOYSA-N,2,1,0.407,80,165,461.449,2.469,6,0.361,0.65,1.0,0.35399390034953054,0.2757950106229868,0.24258961003358234,0.19992632444657665,0.26807621136316906
EOS-2-14816,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cncnc6)n5)n34)cn2)cn1,VUTHNUJDENIZFH-UHFFFAOYSA-N,2,1,0.365,80,277,461.449,2.469,6,0.361,0.58,1.0,0.43085634980467413,0.3889212528270852,0.157545747378521,0.12798985676101707,0.27632830169282435
EOS-2-14817,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cn2)cn1,UPBCOHPVJXTIAO-UHFFFAOYSA-N,2,1,0.393,80,855,461.449,2.469,6,0.361,0.62,1.0,0.439937290110342,0.39351312452881915,0.19314988691659243,0.15642348022753752,0.2957559454458228
EOS-2-14818,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)cn5)n34)cc2)cn1,XQSHUYNYANHJTH-UHFFFAOYSA-N,2,1,0.451,80,277,461.449,2.469,6,0.361,0.63,1.0,0.47822287711603045,0.37472585840586664,0.21068638201631143,0.18902062915495854,0.3131639366732918
EOS-2-14819,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)nn2)nc1,DHKRTOAGCRTDEJ-UHFFFAOYSA-N,2,1,0.396,6,843,461.449,2.469,6,0.361,0.65,0.994,0.3204543896922761,0.22465903639229662,0.12198444246453292,0.1215132615996162,0.19715278253718044
EOS-2-14820,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)nn2)nc1,YUNSSPQHRVFDFO-UHFFFAOYSA-N,2,1,0.419,6,887,461.449,2.469,6,0.361,0.65,1.0,0.4308649167294908,0.3983620039750531,0.0832705092180111,0.08733979850592831,0.24995930710712083
EOS-2-14821,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3ncc(-c4cncs4)s3)n12,XXIHKPKKOCTFCL-UHFFFAOYSA-N,2,1,0.512,27,69,461.454,4.422,5,0.346,0.53,1.0,0.5906037968610788,0.734502433006648,0.5684325954355425,0.5091409087793846,0.6006699335206634
EOS-2-14822,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(OCF)c4)n23)cc1O,HOUTZOQSYXAYFL-UHFFFAOYSA-N,2,1,0.42,26,448,461.457,3.66,5,0.373,0.58,1.0,0.4977725995476664,0.3747344253306833,0.534970187101638,0.3611130148721815,0.44214755671304234
EOS-2-14823,COc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(OC)c4)n23)n1,BNNJLXRVNYNRBJ-UHFFFAOYSA-N,2,1,0.473,4,248,461.457,3.322,5,0.364,0.67,1.0,0.6162874374614489,0.49745562332944965,0.5616904256048249,0.33847063258172844,0.5034760297443629
EOS-2-14824,c1ccc(-c2cnccc2-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)cc1,QNMIWCSIRKOKQT-UHFFFAOYSA-N,2,1,0.333,32,20,438.541,5.705,6,0.353,0.61,0.999,0.14657151668836954,0.1539819066547872,0.5349787540264547,0.6025289562058803,0.35951528339387295
EOS-2-14825,c1csc(-c2ccc(-c3ccc(-c4cncc5nnc(-c6ccsc6)n45)cn3)cn2)c1,IIXMEDGHCPZEBP-UHFFFAOYSA-N,2,1,0.324,32,191,438.541,5.705,6,0.353,0.7,0.996,0.07756493729011034,0.14605750119936947,0.565245699403742,0.5846412171886779,0.34337733877047494
EOS-2-14826,c1ccc(-c2sccc2-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cc1,IBSFAUYWGHCIOD-UHFFFAOYSA-N,2,1,0.343,69,220,438.541,5.705,6,0.353,0.76,1.0,0.042800356384072376,0.0794924953738606,0.5384140908779385,0.6265334795421835,0.3218101055445137
EOS-2-14827,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cc2)n1,HQIIUIDIPNZVHP-UHFFFAOYSA-N,2,1,0.379,69,898,438.541,5.705,6,0.353,0.84,1.0,0.0962579672400795,0.21430162428894525,0.5554023027893907,0.562358645740525,0.3570801350147351
EOS-2-14828,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)s5)n34)cc2)nc1,CSIJIWNSJZZWHZ-UHFFFAOYSA-N,2,1,0.329,32,126,438.541,5.705,6,0.353,0.76,1.0,0.0984939346172298,0.17387430607908985,0.5450962922349394,0.5783273935987938,0.3489479816325132
EOS-2-14829,c1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)s2)c1,PSUKSPJXZOSDCY-UHFFFAOYSA-N,2,1,0.314,38,126,438.541,5.705,6,0.353,0.69,1.0,0.13323281474881776,0.2192875745322459,0.5384226578027551,0.5876396408745117,0.36964567198958265
EOS-2-14830,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)cs1,QGDRIKBGZMBBPX-UHFFFAOYSA-N,2,1,0.329,32,818,438.541,5.705,6,0.353,0.71,1.0,0.12189877321636625,0.16932526900143924,0.6362997738331848,0.6612894935234048,0.39720332739359876
EOS-2-14831,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cn2)c1,WGAXHYWHKFXLAX-UHFFFAOYSA-N,2,1,0.333,32,191,438.541,5.705,6,0.353,0.69,1.0,0.1193029949969159,0.18220992392570762,0.5583150572270578,0.5938677952162292,0.3634239428414776
EOS-2-14832,c1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cccs6)cs5)n34)cc2)nc1,FKULYLMUVNQUTJ-UHFFFAOYSA-N,2,1,0.348,32,126,438.541,5.705,6,0.353,0.7,1.0,0.0442310328284559,0.15399047357960385,0.4080940305667877,0.4717120142553629,0.2695068878075526
EOS-2-14833,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2)cc1,FDRKYKFOGHFPNA-UHFFFAOYSA-N,2,1,0.391,93,651,438.541,5.705,6,0.353,0.74,1.0,0.0819940374203276,0.15399904050442054,0.545104859159756,0.6383644027140017,0.3548655849496265
EOS-2-14834,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)s5)n34)cc2)c1,WRDVPTSHROTKJV-UHFFFAOYSA-N,2,1,0.307,38,787,438.541,5.705,6,0.353,0.69,1.0,0.13055136728120073,0.16543588513467206,0.5940734014118292,0.6265420464670002,0.3791506750736755
EOS-2-14835,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncccc5Oc5ccccc5)n34)nc2)ccn1,OEVJRHQNKNJPEG-UHFFFAOYSA-N,2,1,0.308,30,737,461.46,5.242,6,0.324,0.75,1.0,0.47315982454937977,0.5105201836748681,0.7003718045370434,0.7101123980535947,0.5985410527037215
EOS-2-14836,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5cccc(-c6cncnc6)c5)n34)c2)cc1,MHUWXAVVNKZIMW-UHFFFAOYSA-N,2,1,0.426,41,696,461.46,5.242,6,0.347,0.79,1.0,0.630131587965184,0.6194571996436159,0.8362260982797615,0.8414776231923788,0.731823127270235
EOS-2-14837,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5F)n34)cc2)cc1,NHWXVGARANVGMT-UHFFFAOYSA-N,2,1,0.333,69,538,461.46,4.822,6,0.401,0.73,1.0,0.4518024809814269,0.5290847097525873,0.8657220204235487,0.8688318141319992,0.6788602563223906
EOS-2-14838,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnccc6F)cc5)n34)cn2)cc1,PPHBBCRUHSJNBW-UHFFFAOYSA-N,2,1,0.287,69,152,461.46,4.822,6,0.401,0.57,1.0,0.40566959084367077,0.45266774038791036,0.7875830991707217,0.7937170173394559,0.6099093619354397
EOS-2-14839,Fc1ccc(Oc2nccnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,AASVFJZATNUVSS-UHFFFAOYSA-N,2,1,0.424,69,479,461.46,5.242,6,0.347,0.81,1.0,0.5621273387704749,0.6723322596120896,0.6869302994996916,0.6988640257693098,0.6550634809128915
EOS-2-14840,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)cn2)cn1,KVKBMUQOBPGKTJ-UHFFFAOYSA-N,2,1,0.391,30,960,461.46,5.242,6,0.347,0.79,1.0,0.42868891782605717,0.5153005277225687,0.7536495099719005,0.7422726338153657,0.609977897333973
EOS-2-14841,Fc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1,LEYWWJKGDAWRSF-UHFFFAOYSA-N,2,1,0.409,69,696,461.46,5.242,6,0.347,0.79,1.0,0.5153262284970187,0.662548831471455,0.8198975395791926,0.8024981152765404,0.7000676787060517
EOS-2-14842,Fc1ccccc1Oc1ncccc1-c1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,BEXUNXQGFYTTDA-UHFFFAOYSA-N,2,1,0.33,69,152,461.46,5.242,6,0.347,0.74,1.0,0.4263158796518402,0.5956754163525461,0.760391679802618,0.7422812007401823,0.6311660441367967
EOS-2-14843,Fc1ccccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,XCDALGPNAUAQDF-UHFFFAOYSA-N,2,1,0.42,41,285,461.46,5.242,6,0.347,0.79,1.0,0.8386762387773284,0.7783051195942704,0.7743043657048866,0.7473785210060997,0.7846660612706462
EOS-2-14844,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(C5CCCO5)c(F)c4)n23)n(C)n1,VELYGGPTMBSUTL-UHFFFAOYSA-N,2,1,0.386,36,292,461.461,3.103,6,0.393,0.6,0.987,0.5387225001713385,0.44393804399972586,0.1330614762524844,0.16971078061818928,0.3213582002604345
EOS-2-14845,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ncc(F)c(OC)n4)n23)c1,ZWOJAJLFOWGJRN-UHFFFAOYSA-N,2,1,0.389,65,905,461.461,2.629,5,0.344,0.63,0.999,0.4192653005277226,0.2915238845863889,0.10771194571996436,0.062461448838324996,0.2202406449181002
EOS-2-14846,CCn1cnnc1CCOc1cncc2nnc(-c3ccc(-c4ccc(OC)nc4)c(F)n3)n12,FOLWFMMGUQCMKL-UHFFFAOYSA-N,2,1,0.369,31,773,461.461,2.629,5,0.321,0.65,1.0,0.2892279487355219,0.1780892330888904,0.08076896717154411,0.062470015763141665,0.15263904118977453
EOS-2-14847,COCCn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccn2)n1,IEESVCZIQJLSPN-UHFFFAOYSA-N,2,1,0.484,75,359,461.461,2.247,5,0.305,0.66,1.0,0.31806421766842574,0.20453532999794394,0.10519326982386402,0.0970032896991296,0.18119902679734082
EOS-2-14848,COc1cc(-c2nnc3cncc(OCCc4nc(C)cc(F)n4)n23)ccc1-c1ncnn1C,ASCDYZQYSQEFMS-UHFFFAOYSA-N,2,1,0.447,15,771,461.461,2.454,5,0.337,0.68,1.0,0.5288105681584538,0.39837057089986977,0.10242615310808033,0.061030772393941474,0.2726595161400863
EOS-2-14849,COc1cc(-c2nnc3cncc(OCCc4ncc(F)c(C)n4)n23)ccc1-c1nncn1C,XACXWTAFWZUVTD-UHFFFAOYSA-N,2,1,0.447,36,771,461.461,2.454,5,0.36,0.7,1.0,0.5336423137550544,0.40785415667192104,0.1052018367486807,0.06569974641902543,0.2780995133986704
EOS-2-14850,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2F)cn1,SEKXYULVGRACDF-UHFFFAOYSA-N,2,1,0.325,9,339,461.464,4.215,6,0.384,0.7,1.0,0.3402182852443287,0.3889298197519019,0.6539733397299705,0.6383729696388184,0.5053736035912548
EOS-2-14851,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2F)cn1,NROYFLKALNJWKK-UHFFFAOYSA-N,2,1,0.333,9,38,461.464,4.215,6,0.384,0.73,1.0,0.37482009457884996,0.3983791378246864,0.6925073675553424,0.667115002398739,0.5332054005894045
EOS-2-14852,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5F)n34)cc2)n1,ZSUQUIRZMPTLSF-UHFFFAOYSA-N,2,1,0.325,9,50,461.464,4.215,6,0.384,0.62,1.0,0.3180727845932424,0.39838770474950314,0.6539819066547872,0.6383815365636352,0.502205983140292
EOS-2-14853,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)nc2)nn1,ZYJKNUQNDHVTFC-UHFFFAOYSA-N,2,1,0.33,38,787,461.464,4.215,6,0.359,0.54,1.0,0.3155626756219587,0.36988554588444933,0.4447176341580426,0.4593328078952779,0.39737466588993214
EOS-2-14854,Cc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5F)n34)n2)n1,AYGWMMJUCRLCGZ-UHFFFAOYSA-N,2,1,0.318,94,170,461.464,4.215,6,0.384,0.63,0.981,0.30001370707970665,0.412625933794805,0.5518898636145569,0.5492512507710232,0.453445188815023
EOS-2-14855,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)nc5)n34)cc2)nn1,IHYFWLZXRHQOKR-UHFFFAOYSA-N,2,1,0.309,42,57,461.464,4.215,6,0.384,0.68,1.0,0.34959050099376326,0.38893838667671854,0.5684411623603591,0.5656312110204921,0.46815031526283324
EOS-2-14856,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncc(F)c6)nc5)n34)nc2)cn1,QHZBRXJMOWQJLC-UHFFFAOYSA-N,2,1,0.302,94,392,461.464,4.215,6,0.384,0.71,1.0,0.32799328353094376,0.37942910013021725,0.5908179699814955,0.5559762867521074,0.463554160098691
EOS-2-14857,FCc1cncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1,BSDYYTKKCIMAOR-UHFFFAOYSA-N,2,1,0.292,38,186,461.464,4.237,6,0.375,0.67,1.0,0.22143787266122952,0.24518538825303268,0.4760211774381468,0.5091494757042012,0.3629484785141526
EOS-2-14858,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5F)n34)nc2)cn1,ZMKYVFZMNRGWOS-UHFFFAOYSA-N,2,1,0.317,42,977,461.464,4.215,6,0.384,0.65,1.0,0.31035398533342473,0.4484442464532931,0.5110256322390515,0.4776231923788637,0.43686176410115823
EOS-2-14859,Cc1nc(-c2cncnc2)c(-c2nnc3cncc(-c4cnc(-c5ccccc5)cn4)n23)cc1F,ABOKWBPJNCWUJP-UHFFFAOYSA-N,2,1,0.301,94,515,461.464,4.215,6,0.384,0.54,0.996,0.24630765540401617,0.36491672949078197,0.44114522650949217,0.47172058118017957,0.38102254814611747
EOS-2-14860,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nn6)cn5)n34)cc2)nn1,NIHDNPOZOSHZOP-UHFFFAOYSA-N,2,1,0.321,38,270,461.464,4.215,6,0.384,0.68,1.0,0.23252347337399767,0.34589815639777943,0.5247755465698033,0.5026985813172503,0.40147393941470766
EOS-2-14861,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(F)cn6)nn5)n34)cc2)n1,LEPSCMQHDQVZFO-UHFFFAOYSA-N,2,1,0.31,38,532,461.464,4.215,6,0.384,0.7,1.0,0.3228188609416764,0.3889469536015352,0.4336234665204578,0.46542389143992874,0.40270329312589953
EOS-2-14862,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(-c6cncnc6)cn5)n34)cc2)cn1,AJCHZWQEKBKFKU-UHFFFAOYSA-N,2,1,0.321,94,170,461.464,4.215,6,0.384,0.67,1.0,0.267562195874169,0.3602820231649647,0.6395809060379686,0.6057929545610308,0.46830451990953326
EOS-2-14863,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)nc2)nn1,IYYNQAKDOXQKOR-UHFFFAOYSA-N,2,1,0.329,32,572,461.464,4.215,6,0.384,0.65,1.0,0.2809008978137208,0.36029059008978137,0.45193098485367694,0.49269241313138235,0.39645372147214036
EOS-2-14864,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)cn2)cc1,AAOSEFBUEOGSME-UHFFFAOYSA-N,2,1,0.405,21,107,461.475,6.466,6,0.302,0.85,1.0,0.3609245425262148,0.6147025563703653,0.9650555136728121,0.9748389418134467,0.7288803885957097
EOS-2-14865,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)c(F)c1,YWEPFHHLSALQAV-UHFFFAOYSA-N,2,1,0.389,21,452,461.475,6.466,6,0.302,0.83,1.0,0.397205469124803,0.614711123295182,0.9601723665273113,0.9707525186758961,0.735710369405798
EOS-2-14866,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)c(C)c1,BPSPYTLHJACVQH-UHFFFAOYSA-N,2,1,0.527,91,520,461.476,4.278,5,0.36,0.68,1.0,0.6446439586046193,0.6147196902199986,0.6157134534987321,0.5907408676581455,0.6164544924953739
EOS-2-14867,CC(C)n1cncc1-c1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1F,ODEWJHKQFBKTJZ-UHFFFAOYSA-N,2,1,0.485,26,125,461.476,4.53,5,0.354,0.79,0.996,0.7055976286752107,0.5568244123089576,0.7389229662120486,0.6442241792886025,0.6613922966212049
EOS-2-14868,Cn1cc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)s4)n23)c(-c2ccccc2)n1,YDWMRBTWPYFSCH-UHFFFAOYSA-N,2,1,0.333,76,865,438.52,4.321,6,0.41,0.68,1.0,0.026968679322870264,0.02959872524158728,0.22441059557261325,0.24961448838324996,0.1326481221300802
EOS-2-14869,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)s4)n23)cc1,FJHLSZDXXBGVBD-UHFFFAOYSA-N,2,1,0.343,38,42,438.52,4.321,6,0.41,0.69,1.0,0.14109725173051882,0.12474299225549997,0.2711260365979028,0.2496230553080666,0.19664733397299705
EOS-2-14870,CCn1cccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)s1,DCPSZAOOAQNTRY-UHFFFAOYSA-N,2,1,0.296,38,126,438.516,5.663,6,0.347,0.66,1.0,0.21887636214104586,0.1576571174011377,0.57517476526626,0.5258121444726201,0.3693800973202659
EOS-2-14871,CCOc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)o2)cc1,LFWNZJSVNHPRAR-UHFFFAOYSA-N,2,1,0.354,32,327,461.485,4.969,6,0.342,0.65,1.0,0.24631622232883285,0.2045438969227606,0.5751833321910766,0.4839027482694812,0.37748654992803776
EOS-2-14872,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)nc1,GUSCLYMMOJSUNZ-UHFFFAOYSA-N,2,1,0.623,77,323,461.485,4.525,6,0.342,0.79,1.0,0.8080923171818244,0.5956839832773627,0.5583236241518744,0.49886916592419983,0.6152422726338153
EOS-2-14873,c1cncc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)c1,VTAJVQOHHOENKP-UHFFFAOYSA-N,2,1,0.603,77,323,461.485,4.525,6,0.342,0.71,1.0,0.7829655266945378,0.5956925502021794,0.6126207936399151,0.5591203481598246,0.6375998046741143
EOS-2-14874,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,JXPZJBYMPDBWGF-UHFFFAOYSA-N,2,1,0.449,28,363,461.485,4.791,6,0.349,0.71,1.0,0.46073778356521145,0.3649252964155987,0.3192207525186759,0.3037488862997738,0.3621581796998149
EOS-2-14875,Cc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)nn1,VAVGYGVBOTZQSZ-UHFFFAOYSA-N,2,1,0.446,28,297,461.485,4.791,6,0.349,0.71,1.0,0.41020149407168804,0.29153245151120555,0.4588530601055445,0.41178637516277156,0.3930933452128024
EOS-2-14876,c1ccc(-c2cncc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)cc1,MJYQZWVLSISEAD-UHFFFAOYSA-N,2,1,0.575,12,323,461.485,4.525,6,0.342,0.7,1.0,0.7657374408882187,0.5335480775820711,0.5518984305393736,0.5225824138167363,0.5934415907066
EOS-2-14877,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4C)cn3)n12,RXZBMHRHNOWQCN-UHFFFAOYSA-N,2,1,0.301,30,737,461.485,4.887,6,0.358,0.68,0.999,0.24343773559043247,0.09871667466246316,0.597328832842163,0.49887773284901654,0.3595902439860188
EOS-2-14878,Cc1cnccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)nc1,YDACHGSEFAYWCH-UHFFFAOYSA-N,2,1,0.554,41,592,461.485,4.791,6,0.349,0.57,1.0,0.49038791035569873,0.3168220135700089,0.6570917003632376,0.5492598176958399,0.5033903604961962
EOS-2-14879,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cc2)no1,NROHWYRFPGTDFQ-UHFFFAOYSA-N,2,1,0.449,12,285,461.485,4.791,6,0.349,0.83,1.0,0.45846754848879445,0.3168305804948256,0.4555119594270441,0.42448255774107324,0.4138231615379343
EOS-2-14880,Cc1cc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,XBWPHZFAIYPLOB-UHFFFAOYSA-N,2,1,0.477,77,323,461.485,4.791,6,0.349,0.69,1.0,0.6599273524775546,0.4078627235967377,0.6186604756356658,0.5331025974916044,0.5548882873003906
EOS-2-14881,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)cn5)n34)cc2)o1,VDGBAPJPNWHIHR-UHFFFAOYSA-N,2,1,0.535,12,285,461.485,4.791,6,0.349,0.71,1.0,0.4423017613597423,0.369894112809266,0.4729627852785964,0.4215269686793229,0.4266714070317319
EOS-2-14882,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)c5)n34)cc2)o1,DVSANSBOMVNKHJ-UHFFFAOYSA-N,2,1,0.5,77,323,461.485,4.791,6,0.349,0.73,1.0,0.5593944897539579,0.37474299225549995,0.5583321910766911,0.49596497841134946,0.4971086628743746
EOS-2-14883,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2)n1,ITDHXQNOYKEQIT-UHFFFAOYSA-N,2,1,0.529,77,323,461.485,4.791,6,0.349,0.63,1.0,0.6021348776643136,0.38895552052635185,0.6068638201631142,0.5091580426290179,0.5267780652456994
EOS-2-14884,Oc1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)ccc1-c1ccncn1,QSILTGRAQYNPAA-UHFFFAOYSA-N,2,1,0.447,77,603,461.485,4.324,6,0.394,0.53,1.0,0.5288191350832705,0.34590672332259614,0.7211294633678295,0.6383901034884518,0.5585613563155369
EOS-2-14885,Cc1noc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)c2)n1,RGDJGQXFWFZZFB-UHFFFAOYSA-N,2,1,0.5,41,190,461.485,4.791,6,0.349,0.78,1.0,0.5906123637858954,0.4078712905215544,0.5485658967856898,0.4867469673086149,0.5084491296004385
EOS-2-14886,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)o6)cn5)n34)cn2)cc1,GGMVYIVHUNQPHI-UHFFFAOYSA-N,2,1,0.39,32,818,461.485,4.887,6,0.358,0.69,1.0,0.36782948392844905,0.19069117949420875,0.5876139401000616,0.4559574395175108,0.40052301076005753
EOS-2-14887,COc1nc(-c2cnc(C)o2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,RQJLGUYSOPPXEG-UHFFFAOYSA-N,2,1,0.296,30,737,461.485,4.887,6,0.358,0.7,0.989,0.2703036118155027,0.10858577205126448,0.40095778219450345,0.32862723596737714,0.27711860050716197
EOS-2-14888,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)cc1,IYDFNXNUBOERRV-UHFFFAOYSA-N,2,1,0.527,17,960,461.485,4.948,6,0.359,0.73,1.0,0.5310294016859708,0.4261445411555068,0.6571002672880543,0.5907494345829621,0.5512559111781236
EOS-2-14889,Cc1ocnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,PTRPXXWWGUSWNJ-UHFFFAOYSA-N,2,1,0.512,28,363,461.485,4.791,6,0.349,0.63,1.0,0.4855475978342814,0.31169899252964156,0.4447262010828593,0.3865653485025015,0.407134534987321
EOS-2-14890,COc1ncc(C)nc1-c1ccc(-c2nnc3cncc(Oc4ccnc5ccccc45)n23)cc1,BZOXBKPCODJCBT-UHFFFAOYSA-N,2,1,0.441,41,891,461.485,4.906,6,0.357,0.76,1.0,0.605039065177164,0.4879206360084984,0.4336320334452745,0.35130388595709683,0.4694739051470085
EOS-2-14891,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)no1,QXQIADZRMAKZLT-UHFFFAOYSA-N,2,1,0.5,12,285,461.485,4.791,6,0.349,0.73,1.0,0.4215698033034062,0.4305993420601741,0.34877664313617984,0.35425947501884725,0.38880131587965183
EOS-2-14892,Oc1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)ccc1-c1ccnnc1,WVJXJTZPXUSIQO-UHFFFAOYSA-N,2,1,0.472,77,603,461.485,4.324,6,0.394,0.5,1.0,0.4286974847508738,0.3217993968884929,0.7626533479542184,0.6935353985333425,0.5516714070317319
EOS-2-14893,Cc1ncsc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)c(F)n3)n12,OOOZTPPPKSTDRS-UHFFFAOYSA-N,2,1,0.442,18,773,438.513,4.44,5,0.365,0.61,0.999,0.6389897882256186,0.5910321431019121,0.22111232951819615,0.2526900143924337,0.4259560688095402
EOS-2-14894,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccsc5F)n34)ccn2)cs1,UPKGQZNQDKUIEP-UHFFFAOYSA-N,2,1,0.531,75,583,438.513,4.44,5,0.39,0.67,1.0,0.6904598725241587,0.6147282571448153,0.35253752313069703,0.31923788636830924,0.49424088479199507
EOS-2-14895,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)nn4)n23)cc1,SVVIHNFFLNWXML-UHFFFAOYSA-N,2,1,0.489,67,755,461.489,3.623,6,0.37,0.75,1.0,0.47562709889658006,0.2706377218833528,0.27534953053252004,0.26794770749091906,0.322390514700843
EOS-2-14896,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c1,CVEJGKMHUNACSE-UHFFFAOYSA-N,2,1,0.554,77,190,461.489,3.623,6,0.37,0.75,1.0,0.5153347954218354,0.27580357754780344,0.37519703927078335,0.3865739154273182,0.3882273319169351
EOS-2-14897,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cn1,PTZVWMOMSUZSIN-UHFFFAOYSA-N,2,1,0.506,40,355,461.489,3.623,6,0.37,0.66,1.0,0.38411520800493454,0.26004043588513465,0.3827187992598177,0.31326673977109176,0.33503529573024465
EOS-2-14898,Cn1cc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)nn1,ZDLJYGNABCPBNJ-UHFFFAOYSA-N,2,1,0.5,77,285,461.489,3.623,6,0.37,0.72,1.0,0.49288088547734904,0.32180796381330956,0.2753580974573367,0.28831985470495514,0.3445917003632376
EOS-2-14899,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccncc5)n4)n23)cc1,HMMVVWLWZRHQTN-UHFFFAOYSA-N,2,1,0.451,40,355,461.489,3.623,6,0.37,0.67,1.0,0.44444349256390925,0.2401052018367487,0.4297683503529573,0.3542680419436639,0.3671462716743198
EOS-2-14900,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cc2)n1,XVUCFNUKYCTGSM-UHFFFAOYSA-N,2,1,0.484,81,609,461.489,3.623,6,0.37,0.63,1.0,0.39519224179288603,0.26534336234665207,0.3446902199986293,0.2795644575423206,0.321197570420122
EOS-2-14901,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)cn1,KKZUXTAGTXBZLO-UHFFFAOYSA-N,2,1,0.448,40,518,461.489,3.623,6,0.37,0.72,1.0,0.46315365636351175,0.3218165307381262,0.42977691727777395,0.36427421012953193,0.39475532862723595
EOS-2-14902,COc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6C)cn5)n34)nn2)cn1,DIVUDETYYOREOP-UHFFFAOYSA-N,2,1,0.29,10,37,461.489,3.813,6,0.381,0.66,1.0,0.030309780001370707,0.060936536220958126,0.3525460900555137,0.29435096977588926,0.18453584401343293
EOS-2-14903,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc1,RARNWDXCVOFBSY-UHFFFAOYSA-N,2,1,0.488,77,285,461.489,3.623,6,0.37,0.82,1.0,0.4168579946542389,0.20941847714344458,0.3045284764580906,0.3320197381947776,0.3157061716126379
EOS-2-14904,Cn1nc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1-c1ccnnc1,QIMDMLRMOPWWSO-UHFFFAOYSA-N,2,1,0.417,81,363,461.489,3.623,6,0.37,0.64,1.0,0.24910047289424989,0.18659618943184156,0.33730553080666165,0.3132753066959084,0.2715693749571654
EOS-2-14905,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)nc4)n23)cc1,BEDANJNFHQMSSJ-UHFFFAOYSA-N,2,1,0.519,67,755,461.489,3.623,6,0.37,0.71,1.0,0.6506665067507368,0.28618669042560485,0.2827941881982044,0.25269858131725037,0.3680864916729491
EOS-2-14906,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)cc2)cn1,AXHMHCQZXBRVCO-UHFFFAOYSA-N,2,1,0.478,40,868,461.489,3.623,6,0.37,0.68,1.0,0.3540024672743472,0.2758121444726201,0.47602974436296347,0.3833870193955178,0.3723078438763621
EOS-2-14907,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccn5)n4)n23)cc1,XZNAGCAFDLCZID-UHFFFAOYSA-N,2,1,0.54,81,609,461.489,3.623,6,0.37,0.67,1.0,0.4237972037557398,0.22965355356041395,0.2677078335960524,0.23220649715578096,0.2883412720169968
EOS-2-14908,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cn1,GDIQZKIBEDHDPI-UHFFFAOYSA-N,2,1,0.517,40,868,461.489,3.716,6,0.369,0.69,1.0,0.4376499211842917,0.22966212048523063,0.4519395517784936,0.34805702145157974,0.3668271537248989
EOS-2-14909,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccccc6)nn5)n34)cc2)n1,UDSRIIXFOOGYIJ-UHFFFAOYSA-N,2,1,0.47,77,755,461.489,3.623,6,0.37,0.64,1.0,0.44691933383592625,0.2806781577684874,0.2639298197519019,0.24388321568089918,0.30885263175930366
EOS-2-14910,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1,IKNSDVJKJKMSJO-UHFFFAOYSA-N,2,1,0.5,81,609,461.489,3.623,6,0.37,0.64,1.0,0.4656980330340621,0.2500342676992667,0.3079295456103077,0.252707148242067,0.3190922486464259
EOS-2-14911,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)cn1,DYNFEVFHVCZTSB-UHFFFAOYSA-N,2,1,0.472,40,355,461.489,3.623,6,0.37,0.65,1.0,0.3563069700500308,0.2758207113974368,0.44818723870879307,0.377270235076417,0.36439628880816943
EOS-2-14912,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,ODPJOXQIDLEFNU-UHFFFAOYSA-N,2,1,0.471,28,120,461.489,3.623,6,0.37,0.66,1.0,0.42157837022822287,0.3554759783428141,0.11310054142964841,0.13235898841751764,0.25562846960455077
EOS-2-14913,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)nn4)n23)cc1,NPQQPHYNJFWOAA-UHFFFAOYSA-N,2,1,0.517,81,609,461.489,3.623,6,0.37,0.61,1.0,0.4584761154136111,0.26004900280995136,0.2711346035227195,0.23221506408059764,0.30546869645671987
EOS-2-14914,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,NXSVKXFRZCKLFM-UHFFFAOYSA-N,2,1,0.522,81,609,461.489,3.623,6,0.37,0.7,1.0,0.4145706257281886,0.24011376876156534,0.24259817695839903,0.2322236310054143,0.2823765506133918
EOS-2-14915,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cn1,DINVIIHBDNDMKE-UHFFFAOYSA-N,2,1,0.415,6,350,461.489,3.623,6,0.37,0.68,1.0,0.2752809951339867,0.1540076074292372,0.3264255362894935,0.3070300185045576,0.2656860393393187
EOS-2-14916,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cn1,LLRPUDJZCZLOHO-UHFFFAOYSA-N,2,1,0.432,40,59,461.489,3.623,6,0.37,0.71,1.0,0.4102100609965047,0.30142724967445683,0.3192293194434926,0.2679562744157357,0.32470572613254745
EOS-2-14917,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccc5)c4)n23)cc1,MUOBBYZHIWNESF-UHFFFAOYSA-N,2,1,0.537,12,285,461.489,3.623,6,0.37,0.71,1.0,0.5336508806798711,0.24519395517784937,0.3487852100609965,0.3642827770543486,0.3729782057432664
EOS-2-14918,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,KFFFIMNGRBVUFI-UHFFFAOYSA-N,2,1,0.5,77,755,461.489,3.623,6,0.37,0.7,1.0,0.5875968062504283,0.29659550407785623,0.4009663491193201,0.36112158179699816,0.4115700603111507
EOS-2-14919,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)cc1,FNGDSCFGXOLJON-UHFFFAOYSA-N,2,1,0.529,77,755,461.489,3.623,6,0.37,0.69,1.0,0.5360581865533548,0.30653313686519085,0.2605458844493181,0.2765317661572202,0.34491724350627095
EOS-2-14920,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6ccccn6)c5)n34)cc2)n1,HPPVEAZYWUEAAN-UHFFFAOYSA-N,2,1,0.452,81,2,461.489,3.623,6,0.37,0.55,1.0,0.5565674045644575,0.30654170379000756,0.3790949900623672,0.31328387362072513,0.38887199300938935
EOS-2-14921,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cn4)n23)cc1,ZEDOSFKZPJTPSH-UHFFFAOYSA-N,2,1,0.582,40,25,461.489,3.623,6,0.37,0.72,1.0,0.4518110479062436,0.24012233568638203,0.3863083407580015,0.33847919950654515,0.3541802309642931
EOS-2-14922,Cc1cccc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)n1,QZGRISOAFHCIGI-UHFFFAOYSA-N,2,1,0.42,28,297,461.489,3.921,6,0.396,0.58,0.999,0.505414296484134,0.40322801727092045,0.3079381125351244,0.2465989308477829,0.36579483928449047
EOS-2-14923,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)nn1,PKNBFAFJLNGIQR-UHFFFAOYSA-N,2,1,0.471,12,285,461.489,3.623,6,0.37,0.72,1.0,0.39290487286683573,0.3309574395175108,0.30453704338290727,0.3070385854293743,0.333859485299157
EOS-2-14924,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)cc2)nn1,LXIOPKJHPKFAOL-UHFFFAOYSA-N,2,1,0.522,81,609,461.489,3.623,6,0.37,0.66,1.0,0.3254232060859434,0.21929614145706258,0.30065622644095674,0.25588547734905076,0.27531526283325336
EOS-2-14925,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nc2)cn1,SIKATPAORPFKMQ-UHFFFAOYSA-N,2,1,0.529,40,868,461.489,3.623,6,0.37,0.66,1.0,0.38166506750736756,0.2552172572133507,0.5485744637105064,0.4432441230895758,0.4071752278802001
EOS-2-14926,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)cc1,LWWSIPFNBRBWOZ-UHFFFAOYSA-N,2,1,0.523,40,868,461.489,3.623,6,0.37,0.67,1.0,0.5028956205880337,0.27064628880816943,0.45194811870331025,0.35752347337399765,0.39575337536837774
EOS-2-14927,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cc4)n23)cc1,ZYRAONCJYVFMQS-UHFFFAOYSA-N,2,1,0.57,77,190,461.489,3.623,6,0.37,0.76,1.0,0.5104345144267014,0.2653519292714687,0.39752244534301967,0.3958861627030361,0.3922987629360565
EOS-2-14928,CCOc1nc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,YBFBFVJVYZFGEP-UHFFFAOYSA-N,2,1,0.3,9,7,461.489,4.099,6,0.394,0.72,1.0,0.3330563360975944,0.2706548557329861,0.26393838667671854,0.22316839147419643,0.2727044924953739
EOS-2-14929,Cn1ccnc1-c1nccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1,YKPIXJPGWFBNPN-UHFFFAOYSA-N,2,1,0.426,28,414,461.489,3.623,6,0.37,0.7,1.0,0.3586885751490645,0.19990062367212666,0.17366869988348982,0.17508224247824,0.22683503529573026
EOS-2-14930,Cn1cc(-c2cncc(COc3cncc4nnc(-c5cncnc5-c5ccccc5)n34)c2)cn1,GSTOQCGMMKCHCN-UHFFFAOYSA-N,2,1,0.436,40,78,461.489,3.623,6,0.37,0.7,1.0,0.3678380508532657,0.12475155918031663,0.422683503529573,0.3739976697964499,0.32231769583990133
EOS-2-14931,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,MQJYSMUQUYABIA-UHFFFAOYSA-N,2,1,0.53,12,285,461.489,3.623,6,0.37,0.71,1.0,0.5387310670961551,0.2806867246933041,0.3264341032143102,0.36761531080803234,0.37836680145295043
EOS-2-14932,Cc1cccc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1,IGQDUQMQDBZZAV-UHFFFAOYSA-N,2,1,0.424,28,363,461.489,3.921,6,0.396,0.56,1.0,0.5104430813515181,0.42174114179973954,0.35622130080186415,0.297477897333973,0.39647085532177373
EOS-2-14933,Cn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,MAFIMROJCGPOJT-UHFFFAOYSA-N,2,1,0.467,40,2,461.489,3.623,6,0.37,0.64,1.0,0.4631622232883284,0.21930470838187924,0.42269207045438967,0.37727880200123365,0.37060945103145776
EOS-2-14934,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,OBIONQCBICPNBK-UHFFFAOYSA-N,2,1,0.536,77,363,461.489,3.623,6,0.37,0.79,1.0,0.4829946542389144,0.2915410184360222,0.31163902405592486,0.3254660407100267,0.35291018436022203
EOS-2-14935,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cn1,ZMUPKVLNYHXNHB-UHFFFAOYSA-N,2,1,0.446,6,868,461.489,3.623,6,0.37,0.73,1.0,0.4782314440408471,0.28069529161812073,0.5039322184908506,0.4277722568706737,0.422657802755123
EOS-2-14936,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)n23)cc1,QCTUXAFBRUXMRX-UHFFFAOYSA-N,2,1,0.517,40,609,461.489,3.623,6,0.37,0.69,1.0,0.4469279007607429,0.24013090261119868,0.31923788636830924,0.2795730244671373,0.321467428551847
EOS-2-14937,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)c2)cn1,XLEGOGGTDBCIDG-UHFFFAOYSA-N,2,1,0.398,6,826,461.489,3.623,6,0.37,0.73,1.0,0.35401103419916385,0.12111061613323282,0.4695531492015626,0.3990816256596532,0.3359391062984031
EOS-2-14938,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1,URCYZSGNFUKJQD-UHFFFAOYSA-N,2,1,0.472,77,285,461.489,3.623,6,0.37,0.74,1.0,0.39721403604961963,0.21931327530669592,0.28633232814748816,0.3192464532931259,0.3055265231992324
EOS-2-14939,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4)n23)cc1,HPQIJTWKAPIPJM-UHFFFAOYSA-N,2,1,0.544,67,755,461.489,3.623,6,0.37,0.74,1.0,0.6358457268179014,0.2861952573504215,0.36745253923651566,0.310268316085258,0.39994045987252413
EOS-2-14940,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)cn1,FILMMVCVTZNEGF-UHFFFAOYSA-N,2,1,0.446,40,518,461.489,3.623,6,0.37,0.75,1.0,0.45402988143376055,0.3065502707148242,0.3752056061956,0.30704715235419094,0.36070822767459393
EOS-2-14941,CCOc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)ccn1,FLAZYWTYBBREHX-UHFFFAOYSA-N,2,1,0.318,30,705,461.489,3.895,6,0.367,0.68,1.0,0.07757350421492701,0.10189500376944692,0.2972123226646563,0.2734391062984031,0.18752998423685835
EOS-2-14942,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)nn1,HDYXMGBIHCIZTK-UHFFFAOYSA-N,2,1,0.483,12,285,461.489,3.623,6,0.37,0.7,1.0,0.3280018504557604,0.30655883763964087,0.28634089507230487,0.3102768830100747,0.30779461654444523
EOS-2-14943,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccnnc6)cc5)n34)nc2)cn1,JWVQVRYGAGVDTB-UHFFFAOYSA-N,2,1,0.489,40,932,461.489,3.716,6,0.369,0.6,1.0,0.30765540401617436,0.20455246384757728,0.514675142210952,0.4050099376327873,0.3579732369268727
EOS-2-14944,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cnccn6)n5)n34)c2)cn1,ORJXGMWWWJCDBZ-UHFFFAOYSA-N,2,1,0.467,40,355,461.489,3.623,6,0.37,0.62,1.0,0.2780309780001371,0.16933383592625592,0.4009749160441368,0.322416215475293,0.2926889863614557
EOS-2-14945,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnccn6)n5)n34)cc2)cn1,SDXVAXIUGFCIKW-UHFFFAOYSA-N,2,1,0.484,40,355,461.489,3.623,6,0.37,0.64,1.0,0.372369954081283,0.260057569734768,0.4150846412171887,0.3286358028921938,0.3440369919813584
EOS-2-14946,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cc1,HCMYSUJVYVMVRJ-UHFFFAOYSA-N,2,1,0.524,67,755,461.489,3.623,6,0.37,0.68,1.0,0.5412583099170721,0.27582927832225346,0.46956171612637926,0.42153553560413953,0.42704620999246107
EOS-2-14947,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)nc1,IPGUOCKUHTWYAT-UHFFFAOYSA-N,2,1,0.511,40,932,461.489,3.716,6,0.369,0.65,1.0,0.3449900623672127,0.23445103145774793,0.3410578438763621,0.2586697279144678,0.2947921664039476
EOS-2-14948,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)cc1,SRYXECZQFLPJFF-UHFFFAOYSA-N,2,1,0.472,67,755,461.489,3.623,6,0.37,0.72,1.0,0.5004711808649167,0.2246676033171133,0.2863494619971215,0.2679648413405524,0.319863271879926
EOS-2-14949,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nn5)n34)cc2)cn1,RKSTUJKUKRYXPJ-UHFFFAOYSA-N,2,1,0.478,40,25,461.489,3.623,6,0.37,0.66,1.0,0.37237852100609964,0.28070385854293745,0.42632444657665686,0.35753204029881436,0.35923471660612705
EOS-2-14950,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)cn2)c1,SEWWRVJWTUDQDH-UHFFFAOYSA-N,2,1,0.451,6,868,461.489,3.623,6,0.37,0.72,1.0,0.5790127475841272,0.41732060859433895,0.48685833733123157,0.4084881091083545,0.4729199506545131
EOS-2-14951,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cn(C)nn5)c4)n23)cn1,ONFVKPFCTFSCEA-UHFFFAOYSA-N,2,1,0.296,42,764,461.489,3.719,6,0.382,0.63,1.0,0.09626653416489617,0.0863032006031115,0.330152148584744,0.2618737577959016,0.19364891028716333
EOS-2-14952,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cc1,BMEJSDMGJBZNII-UHFFFAOYSA-N,2,1,0.565,40,2,461.489,3.623,6,0.37,0.66,1.0,0.5936450551709959,0.24013946953601537,0.39370159687478584,0.3070557192790076,0.3836354602152012
EOS-2-14953,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cc2)c1,XXRPCGDIIZVCHH-UHFFFAOYSA-N,2,1,0.489,40,414,461.489,3.623,6,0.37,0.64,1.0,0.46570659995887875,0.33583201973819476,0.3006647933657734,0.23510211774381468,0.33432638270166537
EOS-2-14954,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccccc6)n5)n34)cc2)n1,SLRNSJIGIUJFAS-UHFFFAOYSA-N,2,1,0.489,77,857,461.489,3.623,6,0.37,0.69,1.0,0.5079758070043178,0.2758378452470701,0.2788962374066205,0.23819477760263175,0.32522616681516003
EOS-2-14955,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)nc2)n1,QUEGMSVZZFCJOK-UHFFFAOYSA-N,2,1,0.453,6,414,461.489,3.716,6,0.369,0.77,1.0,0.2703121787403194,0.1052018367486807,0.3192464532931259,0.24389178260571584,0.23466306284696048
EOS-2-14956,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,FSZDDDZDKTVSLP-UHFFFAOYSA-N,2,1,0.537,67,755,461.489,3.623,6,0.37,0.71,1.0,0.6021434445891303,0.2807124254677541,0.34879377698581315,0.29748646425878966,0.38228402782537185
EOS-2-14957,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cn4)n23)cc1,AAEDXHUQXGXCIS-UHFFFAOYSA-N,2,1,0.576,40,755,461.489,3.623,6,0.37,0.7,1.0,0.43765848810910835,0.24014803646083202,0.33016071550956066,0.28540710026728805,0.32334358508669725
EOS-2-14958,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)nc4)n23)cc1,MNFXZTZXDORZQA-UHFFFAOYSA-N,2,1,0.554,77,755,461.489,3.623,6,0.37,0.79,1.0,0.5129446233979851,0.24520252210266602,0.3045456103077239,0.30706428620382425,0.3424392605030498
EOS-2-14959,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cccnc6)cn5)n34)cc2)cn1,OTELNDASEWMOLG-UHFFFAOYSA-N,2,1,0.473,40,355,461.489,3.623,6,0.37,0.66,1.0,0.3885186073607018,0.28072099239257076,0.4411537934343088,0.357540607223631,0.3669835001028031
EOS-2-14960,COc1ccccc1-c1ncccc1-c1nnc2cncc(-c3cccc(-c4nncn4C)n3)n12,ULBJELSRZIUIGI-UHFFFAOYSA-N,2,1,0.352,76,750,461.489,3.719,6,0.382,0.52,0.993,0.08895038037146186,0.022445343019669658,0.18975738468919195,0.17786649304365704,0.11975490028099513
EOS-2-14961,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)ccn1,AJFOOKMCRGMDHU-UHFFFAOYSA-N,2,1,0.467,6,868,461.489,3.623,6,0.37,0.66,1.0,0.3907460078130354,0.1866047563566582,0.5146837091357687,0.43406894661092454,0.38152585497909675
EOS-2-14962,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,PFNPEKWSKHKCMA-UHFFFAOYSA-N,2,1,0.585,12,285,461.489,3.623,6,0.37,0.73,1.0,0.4145791926530053,0.30143581659927354,0.2863580289219382,0.32242478240010963,0.3311994551435817
EOS-2-14963,Cn1nc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,UMHIMDNIXLJKJI-UHFFFAOYSA-N,2,1,0.449,12,285,461.489,3.623,6,0.37,0.67,0.923,0.4540384483585772,0.3794376670550339,0.12452881913508328,0.18081351518059077,0.2847046124323213
EOS-2-14964,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,GMULKYLQPHJRBX-UHFFFAOYSA-N,2,1,0.484,81,120,461.489,3.623,6,0.37,0.69,1.0,0.3656106504009321,0.2807295593173874,0.28280275512302105,0.26188232472071826,0.2977563223905147
EOS-2-14965,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cncc(C)n4)cc3)n12,TUGORPBZMQVCLW-UHFFFAOYSA-N,2,1,0.322,9,7,461.489,4.017,6,0.409,0.67,1.0,0.22429922554999657,0.060945103145774795,0.4519566856281269,0.3447673223219793,0.2704920841614694
EOS-2-14966,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cccnc6)n5)n34)cc2)n1,SFBGYDBTHUUPPU-UHFFFAOYSA-N,2,1,0.419,40,59,461.489,3.623,6,0.37,0.68,1.0,0.4704955109313961,0.3358405866630114,0.32279316016722637,0.2647950791583853,0.3484810842300048
EOS-2-14967,COc1ccccc1-c1nnc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)n1C,PIGDCDDIUVSKSV-UHFFFAOYSA-N,2,1,0.402,30,854,461.489,3.719,6,0.382,0.66,0.992,0.05187272976492358,0.010785758344184772,0.08077753409636076,0.11460832019738194,0.06451108560071277
EOS-2-14968,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cc1,SSFCMGUNNIJNAB-UHFFFAOYSA-N,2,1,0.489,40,414,461.489,3.623,6,0.37,0.63,1.0,0.4731683914741964,0.2452110890274827,0.31925502021794255,0.25589404427386747,0.3233821362483723
EOS-2-14969,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)cc1,SALVBHJPNJCSQG-UHFFFAOYSA-N,2,1,0.506,77,755,461.489,3.623,6,0.37,0.74,1.0,0.5707799328353095,0.2966040710026729,0.4045730244671373,0.36429134397916524,0.4090620930710712
EOS-2-14970,Cn1nccc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)c1,KOIPUPWFXZCRSC-UHFFFAOYSA-N,2,1,0.463,81,218,461.489,3.623,6,0.37,0.56,1.0,0.24910903981906654,0.14246795970118567,0.34106641080117883,0.2825286135288877,0.2537930059625797
EOS-2-14971,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)ccn2)cn1,XBROIMRGVOLWHY-UHFFFAOYSA-N,2,1,0.5,6,667,461.489,3.623,6,0.37,0.7,1.0,0.2623192378863683,0.19069974641902543,0.3899664176547187,0.3132924405455418,0.28906946062641353
EOS-2-14972,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cc2)n1,GXLOBTSDZVQEDK-UHFFFAOYSA-N,2,1,0.5,77,323,461.489,3.623,6,0.37,0.74,1.0,0.6329929408539511,0.34068946610924544,0.444734768007676,0.38030292646151737,0.4496800253580975
EOS-2-14973,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nn2)n1,QJXNQJFDBLAGLN-UHFFFAOYSA-N,2,1,0.483,81,25,461.489,3.623,6,0.37,0.66,1.0,0.3885271742855185,0.2653604961962854,0.34469878692344597,0.31330100747035844,0.32797186621890206
EOS-2-14974,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,PLQYRKDDXDBQQI-UHFFFAOYSA-N,2,1,0.489,40,355,461.489,3.623,6,0.37,0.55,1.0,0.4928894524021657,0.19990919059694331,0.490148036460832,0.3929305736412857,0.3939693132753067
EOS-2-14975,Cn1nc(-c2cnccn2)nc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,RUCJUKFTGWVVDK-UHFFFAOYSA-N,2,1,0.459,40,285,461.489,3.623,6,0.37,0.63,0.996,0.4607463504900281,0.3747515591803166,0.1330700431773011,0.18082208210540746,0.2873475087382633
EOS-2-14976,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)c2)cn1,QUIDQIHRLQMFAU-UHFFFAOYSA-N,2,1,0.462,40,868,461.489,3.623,6,0.37,0.65,1.0,0.26232780481118495,0.1780978000137071,0.46238263313001166,0.3772873689260503,0.3200239017202385
EOS-2-14977,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,PWLYXLMHIJBUBO-UHFFFAOYSA-N,2,1,0.585,12,285,461.489,3.623,6,0.37,0.75,1.0,0.412343225275855,0.2807381262422041,0.28993043657048867,0.32547460763484337,0.3271215989308478
EOS-2-14978,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c2)cn1,NIKURTRUHIBEFU-UHFFFAOYSA-N,2,1,0.506,40,78,461.489,3.623,6,0.37,0.64,1.0,0.4879977383318484,0.23445959838256458,0.5973373997669796,0.492700980056199,0.4531239291343979
EOS-2-14979,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cccnc6)cn5)n34)cc2)n[nH]1,GRPAMNOSJWIULM-UHFFFAOYSA-N,2,1,0.448,40,25,461.489,3.921,6,0.396,0.64,1.0,0.48046741141799737,0.42174970872455625,0.40458159139195393,0.33202830511959425,0.4097067541635254
EOS-2-14980,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)n1,QWUKQIPGPGBMIY-UHFFFAOYSA-N,2,1,0.523,77,755,461.489,3.623,6,0.37,0.72,1.0,0.5816684942772942,0.3117075594544582,0.32644267013912687,0.3102854499348914,0.3825260434514427
EOS-2-14981,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cc2)cn1,WJCZFVDTWQPGHZ-UHFFFAOYSA-N,2,1,0.495,40,25,461.489,3.623,6,0.37,0.67,1.0,0.3816736344321842,0.28620382427523816,0.3410749777259955,0.2679734082653691,0.3192314611746967
EOS-2-14982,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)nc5)n34)cc2)cn1,GAIDXVPORLSIEH-UHFFFAOYSA-N,2,1,0.517,81,2,461.489,3.623,6,0.37,0.64,1.0,0.5029041875128504,0.27066342265780274,0.4760383112877801,0.38339558632033444,0.4082503769446919
EOS-2-14983,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)no5)nc4C)n23)c(-c2ccccn2)n1,UOICMQMJFLZTQS-UHFFFAOYSA-N,2,1,0.277,76,321,461.489,4.286,6,0.378,0.68,0.999,0.14658008361318622,0.08938729353711192,0.10772051264478102,0.08921595504077856,0.10822596120896442
EOS-2-14984,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c2)cn1,SDKUOERUAJWYTN-UHFFFAOYSA-N,2,1,0.435,6,297,461.489,3.623,6,0.37,0.71,1.0,0.4444520594887259,0.22467617024192996,0.4481958056336098,0.35754917414844767,0.3687183023781784
EOS-2-14985,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)n1,OYWOKPQASKMANA-UHFFFAOYSA-N,2,1,0.407,28,363,461.489,3.623,6,0.37,0.68,1.0,0.42632444657665686,0.29154958536083886,0.2828113220478377,0.24660749777259955,0.31182321293948323
EOS-2-14986,Cc1cccc(-c2ccc(-c3nnc4cncc(OCn5cc(-c6ccccn6)nn5)n34)cc2)n1,NKIRPPGJLUCGSF-UHFFFAOYSA-N,2,1,0.4,81,120,461.489,3.852,6,0.368,0.63,0.999,0.27803954492495375,0.26006613665958467,0.26055445137413474,0.24091049276951546,0.2598926564320471
EOS-2-14987,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccccn5)n4)n23)cc1,LIYPMNQPVDQELJ-UHFFFAOYSA-N,2,1,0.522,40,120,461.489,3.623,6,0.37,0.6,1.0,0.38853574121033513,0.20942704406826126,0.28636659584675483,0.22941367966554727,0.2784357651977246
EOS-2-14988,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cc5)n34)cc2)nn1,YKLQYSASWHQMRU-UHFFFAOYSA-N,2,1,0.526,67,722,461.489,4.145,6,0.377,0.65,1.0,0.437667055033925,0.27584641217188677,0.322801727092043,0.2618908916455349,0.3245515214858474
EOS-2-14989,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnc6)n5)n34)cc2)cn1,RPEYQVXBUULWND-UHFFFAOYSA-N,2,1,0.452,40,350,461.489,3.623,6,0.37,0.67,1.0,0.36561921732574876,0.2758549790967034,0.43364060037009117,0.3611301487218148,0.35906123637858955
EOS-2-14990,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc1,GZVOMCPWMYAMND-UHFFFAOYSA-N,2,1,0.478,40,868,461.489,3.623,6,0.37,0.65,1.0,0.45404701528339386,0.26536906312110203,0.3791035569871839,0.30060482489205675,0.3497811150709341
EOS-2-14991,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)nc2)cn1,NNHHMJYPFHCXDU-UHFFFAOYSA-N,2,1,0.409,6,280,461.489,3.623,6,0.37,0.72,1.0,0.3863940100061682,0.16544445205948874,0.5349873209512713,0.44963504900280993,0.3841152080049346
EOS-2-14992,COc1cc(-c2ccc(C)nn2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,BLZDPAZSULVUJH-UHFFFAOYSA-N,2,1,0.319,9,537,461.489,4.017,6,0.409,0.69,1.0,0.21592934000411212,0.08939586046192859,0.43737577959015833,0.3352751696251114,0.2694940374203276
EOS-2-14993,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2)cn1,QBRZUOMVKMCTMN-UHFFFAOYSA-N,2,1,0.478,40,932,461.489,3.716,6,0.369,0.7,1.0,0.32046295661709273,0.24015660338564868,0.34880234391062986,0.2943595367007059,0.3009453601535193
EOS-2-14994,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cn1,OCSRGQTXZHEXRP-UHFFFAOYSA-N,2,1,0.441,80,868,461.489,3.623,6,0.37,0.68,1.0,0.48800630525666505,0.2915581522856555,0.4227006373792064,0.3575577410732643,0.3899557089986978
EOS-2-14995,N#CC1(c2ncc(-c3ccnc(-c4nnc5cncc(OCCc6ccncc6)n45)c3)cn2)CC1,RTQYHJBWANCMAE-UHFFFAOYSA-N,2,1,0.449,18,840,461.489,3.215,6,0.359,0.59,1.0,0.6301401548900006,0.4923840038379823,0.08078610102117743,0.1808306490302241,0.34603522719484614
EOS-2-14996,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5ccncc5)n34)cn2)n1,HNZMIMBUIPTNMJ-UHFFFAOYSA-N,2,1,0.419,6,297,461.489,3.623,6,0.37,0.59,1.0,0.3929134397916524,0.21932184223151258,0.3488109108354465,0.28253718045370435,0.31089584332807896
EOS-2-14997,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc1,YKYWBKCXPPCOOW-UHFFFAOYSA-N,2,1,0.478,40,868,461.489,3.623,6,0.37,0.66,1.0,0.4540555822082105,0.27586354602152013,0.45552052635186074,0.367623877732849,0.3882658830786101
EOS-2-14998,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)cc2)nn1,JZDSHSNDMOTIEC-UHFFFAOYSA-N,2,1,0.5,40,190,461.489,3.623,6,0.37,0.68,1.0,0.45181961483106026,0.24521965595229936,0.5110341991638682,0.44964361592762664,0.4144292714687136
EOS-2-14999,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,GRUPOJXBRJWOCH-UHFFFAOYSA-N,2,1,0.409,28,363,461.489,3.623,6,0.37,0.55,1.0,0.377193132753067,0.1952830511959427,0.27890480433143716,0.2586782948392845,0.27751482077993284
EOS-2-15000,Cn1ccnc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,QOKCAXXKGVSTIU-UHFFFAOYSA-N,2,1,0.435,6,297,461.489,3.623,6,0.37,0.67,1.0,0.4952710575011994,0.24522822287711604,0.3340672332259612,0.26798197519018574,0.33563712219861563
EOS-2-15001,Cn1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(-c2ncccn2)n1,ZMBIJLXSMWKMCE-UHFFFAOYSA-N,2,1,0.451,40,120,461.489,3.623,6,0.37,0.68,1.0,0.3516893975738469,0.2296706874100473,0.21069494894112809,0.20299328353094373,0.24876207936399147
EOS-2-15002,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc(-c4nccn4C)nc3)n12,JIGYBQWBOGVFQJ-UHFFFAOYSA-N,2,1,0.303,70,392,461.489,3.719,6,0.382,0.72,1.0,0.2728565554108697,0.08631176752792817,0.2001062298677267,0.14630594201905284,0.17639512370639437
EOS-2-15003,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)cn2)cn1,BUVXIYTZHWYFDZ-UHFFFAOYSA-N,2,1,0.451,6,868,461.489,3.623,6,0.37,0.67,1.0,0.41927386745253925,0.26537763004591874,0.534995887876088,0.44661949146734287,0.4165667192104722
EOS-2-15004,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)cc2)n1,RMLCCGPSAXFIKA-UHFFFAOYSA-N,2,1,0.517,40,25,461.489,3.623,6,0.37,0.68,1.0,0.3972226029744363,0.3014443835240902,0.3116475909807416,0.2559026111986841,0.3165542971694881
EOS-2-15005,Cc1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)n1,PKPLHSULOZKNBH-UHFFFAOYSA-N,2,1,0.495,40,932,461.489,3.716,6,0.369,0.57,1.0,0.2863837296963882,0.2143101912137619,0.38997498457953533,0.3006133918168734,0.2978205743266397
EOS-2-15006,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cc2)n1,WNYMDQNGPWYDAD-UHFFFAOYSA-N,2,1,0.534,40,2,461.489,3.716,6,0.369,0.7,1.0,0.4056781577684874,0.1738828730039065,0.3712990884791995,0.2883284216297718,0.30979713522034136
EOS-2-15007,COc1ncc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,VRMKILWPJQEPQL-UHFFFAOYSA-N,2,1,0.349,25,791,461.489,3.719,6,0.382,0.81,1.0,0.17680419436639025,0.14995545199095334,0.25344390377630044,0.2734476732232198,0.21341280583921596
EOS-2-15008,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cn1,IMKFFNYQZUBCDX-UHFFFAOYSA-N,2,1,0.421,28,363,461.489,3.623,6,0.37,0.63,1.0,0.36093310945103146,0.23446816530738127,0.3447073538482626,0.2974950311836063,0.3094009149475704
EOS-2-15009,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)nn1,KGMCPZVTDDNLLR-UHFFFAOYSA-N,2,1,0.516,81,609,461.489,3.623,6,0.37,0.67,1.0,0.31313823589884177,0.20943561099307792,0.2899390034953053,0.2618994585703516,0.26860307723939414
EOS-2-15010,Cn1cc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nn1,PJUMOYIBQFYWFH-UHFFFAOYSA-N,2,1,0.489,12,285,461.489,3.623,6,0.37,0.7,0.999,0.34726029744362963,0.29661263792748954,0.23535912548831472,0.2559111781235008,0.2837858097457337
EOS-2-15011,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,DZZKDCSBLQCVMY-UHFFFAOYSA-N,2,1,0.489,28,363,461.489,3.623,6,0.37,0.69,1.0,0.47050407785621273,0.21933040915632923,0.2789133712562539,0.2679905421150024,0.30918460009594956
EOS-2-15012,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccncn5)n4)n23)cc1,QCVPGORLYAQRAF-UHFFFAOYSA-N,2,1,0.489,40,609,461.489,3.623,6,0.37,0.62,1.0,0.5260777191419368,0.2653861969707354,0.41125522582413815,0.3254831745596601,0.3820505791241176
EOS-2-15013,Cn1ncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1-c1cnccn1,VWHSHMYGAVTAIX-UHFFFAOYSA-N,2,1,0.461,40,2,461.489,3.623,6,0.37,0.62,1.0,0.4518281817558769,0.22967925433486397,0.2934343088205058,0.27345624014803643,0.3120994962648208
EOS-2-15014,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cnn1,ZETNMOLLXAEOOY-UHFFFAOYSA-N,2,1,0.452,81,2,461.489,3.623,6,0.37,0.64,1.0,0.5387396340209718,0.2452367898019327,0.3752141731204167,0.32549174148447674,0.37117058460694946
EOS-2-15015,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)cn5)n34)cc2)n[nH]1,GLDYTFXRZBZOJC-UHFFFAOYSA-N,2,1,0.489,81,117,461.489,3.921,6,0.396,0.59,1.0,0.44939517510794325,0.40787985744637106,0.437384346514975,0.36113871564663147,0.4139495236789802
EOS-2-15016,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cn5)n34)cc2)nn1,REPHSXSRNNLITM-UHFFFAOYSA-N,2,1,0.37,67,622,461.489,4.145,6,0.377,0.69,1.0,0.3354807758207114,0.24016517031046536,0.3447159207730793,0.2527157151668837,0.2932693955177849
EOS-2-15017,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnc5)n4)n23)cc1,PRRWZAFPQGRIBW-UHFFFAOYSA-N,2,1,0.452,40,355,461.489,3.623,6,0.37,0.67,1.0,0.4494037420327599,0.25004283462408333,0.41126379274895486,0.344775889246796,0.3638715646631485
EOS-2-15018,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ncccn6)c5)n34)cc2)n1,OBLOZPAYMCUZKB-UHFFFAOYSA-N,2,1,0.466,40,2,461.489,3.623,6,0.37,0.63,1.0,0.5412668768418888,0.31171612637927487,0.3637773284901652,0.27958159139195393,0.3740854807758207
EOS-2-15019,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,VFJCCHOOSABDOS-UHFFFAOYSA-N,2,1,0.455,12,285,461.489,3.623,6,0.37,0.75,1.0,0.515343362346652,0.3065674045644575,0.20011479679254335,0.23511068466863136,0.314284062093071
EOS-2-15020,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)nc2)cn1,MAMROOKBOWTQOQ-UHFFFAOYSA-N,2,1,0.494,6,280,461.489,3.716,6,0.369,0.75,1.0,0.2728651223356864,0.1147539579192653,0.3863169076828182,0.29436810362552257,0.2670760228908231
EOS-2-15021,COc1cc(-c2nnc3cncc(OCc4ccc(F)s4)n23)ccc1-c1ccsc1,NWZGYHSMGMHWHS-UHFFFAOYSA-N,2,1,0.524,97,83,438.509,5.308,5,0.36,0.56,1.0,0.8311287780138441,0.7949849222123226,0.7875916660955383,0.7017253786580769,0.7788576862449456
EOS-2-15022,c1csc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cncs6)no5)n34)nc2)n1,CPEVUWYSCGRCEX-UHFFFAOYSA-N,2,1,0.438,80,34,461.492,3.395,6,0.364,0.65,1.0,0.2837365499280378,0.360299157014598,0.0289819066547872,0.029770063737920637,0.17569691933383594
EOS-2-15023,Cc1cccc(-c2nc(C)ncc2-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)n1,QIGZMQRNVPHPHZ-UHFFFAOYSA-N,2,1,0.28,76,968,461.493,3.118,6,0.389,0.65,0.233,0.1010211774381468,0.04946542389143993,0.06566547871975875,0.05234391062984031,0.06712399766979646
EOS-2-15024,CC1COCCN1C(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,DGJJZNZPTRUNRF-UHFFFAOYSA-N,2,1,0.719,0,378,461.497,3.413,5,0.438,0.66,1.0,0.4238057706805565,0.09576108560071277,0.23536769241313138,0.28833698855458845,0.2608178843122473
EOS-2-15025,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)cc1,JQHAAPAJKFUVTQ-UHFFFAOYSA-N,2,1,0.645,12,492,461.5,5.967,6,0.307,0.74,1.0,0.8877732849016517,0.7698238640257693,0.9388235898841751,0.9347114659721746,0.8827830511959427
EOS-2-15026,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5csc(=O)[nH]5)n34)ncn2)s1,SUIVTEIRKMOIDU-UHFFFAOYSA-N,2,1,0.368,31,194,438.498,2.385,5,0.429,0.53,0.973,0.31808135151805905,0.1822184908505243,0.032494345829621,0.024210129531903227,0.1392510794325269
EOS-2-15027,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1C,LGCBBLBNUCYQPG-UHFFFAOYSA-N,2,1,0.362,69,479,461.504,5.368,6,0.353,0.71,1.0,0.22987629360564732,0.3406980330340621,0.5908265369063121,0.6355887190734014,0.4492473956548557
EOS-2-15028,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)cc1F,NIIVBBKYIRAZPT-UHFFFAOYSA-N,2,1,0.321,38,818,461.504,5.368,6,0.353,0.72,1.0,0.24097046124323213,0.31683914741964225,0.8148087862380919,0.7820488657391542,0.5386668151600301
EOS-2-15029,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cc5)n34)nc2)cn1C,QCXLFCKSZJDLEH-UHFFFAOYSA-N,2,1,0.359,93,74,461.504,5.368,6,0.353,0.76,1.0,0.2675707627989857,0.3983962716743198,0.7465389623740663,0.7314954423959975,0.5360003598108423
EOS-2-15030,Cc1c(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)c(-c2ccccc2)nn1C,WRUJIUKXTNFDPP-UHFFFAOYSA-N,2,1,0.368,93,220,461.504,5.368,6,0.33,0.67,1.0,0.08641457062572819,0.23447673223219792,0.6302001233637173,0.6612980604482215,0.40309737166746623
EOS-2-15031,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)nc2)cn1,LRDXBPADZALXPG-UHFFFAOYSA-N,2,1,0.337,93,651,461.504,5.543,6,0.337,0.69,1.0,0.22988486053046397,0.2706719895826194,0.762661914879035,0.7678620382427523,0.5077702008087177
EOS-2-15032,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccccc5)n34)cc2)ccc1F,PZJODQPOKPWUGB-UHFFFAOYSA-N,2,1,0.342,93,625,461.504,5.368,6,0.353,0.67,1.0,0.11406003700911521,0.25522582413816736,0.7029161812075937,0.6988725926941265,0.4427686587622507
EOS-2-15033,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)c(F)c2)n(C)n1,WWGHXSLFLBRYQS-UHFFFAOYSA-N,2,1,0.333,69,220,461.504,5.368,6,0.353,0.69,0.999,0.1968250976629429,0.2862123912000548,0.6815759714892742,0.6876584881091083,0.4630679871153451
EOS-2-15034,CCn1cnc(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,CHNSKYFPPHXBAQ-UHFFFAOYSA-N,2,1,0.291,30,737,461.504,5.543,6,0.337,0.72,0.217,0.1496984442464533,0.2600747035844013,0.5973459666917963,0.6820214515797409,0.42228514152559793
EOS-2-15035,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(-c2ccc(F)cn2)n1,PKDSZJLWYAZROF-UHFFFAOYSA-N,2,1,0.364,93,651,461.504,5.543,6,0.337,0.75,1.0,0.2409790281680488,0.3117246933040916,0.6157220204235487,0.6789030909464738,0.4618322082105407
EOS-2-15036,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccc(F)cc5)n34)cc2)n1,GWJABJRLXQILBY-UHFFFAOYSA-N,2,1,0.362,69,625,461.504,5.368,6,0.353,0.71,1.0,0.11406860393393188,0.31173326022890824,0.7465475292988829,0.7446799396888493,0.4792573332876431
EOS-2-15037,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1C,GYHLOHVPDBLIAO-UHFFFAOYSA-N,2,1,0.301,30,737,461.504,5.368,6,0.353,0.77,0.995,0.16869131656500583,0.26008327050921803,0.5485830306353231,0.6294462339798506,0.40170096292234936
EOS-2-15038,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nc2)cn1,ZARJLAVJFCPAJV-UHFFFAOYSA-N,2,1,0.366,93,74,461.504,5.543,6,0.337,0.76,1.0,0.16612980604482214,0.2915667192104722,0.7813549448290041,0.7866407374408882,0.5064230518812967
EOS-2-15039,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnc(C)nc5C)nc4)n23)ccn1,VDUAXBXVAIENLM-UHFFFAOYSA-N,2,1,0.516,65,567,438.495,3.585,5,0.396,0.66,1.0,0.5565759714892742,0.4395860461928586,0.22811150709341374,0.12799842368583372,0.3380679871153451
EOS-2-15040,CCn1cc(-c2ccc(-c3nnc4cncc(OC5CN(c6ccccn6)C5)n34)cc2)cn1,WMHGGYRKINPFDO-UHFFFAOYSA-N,2,1,0.458,15,519,438.495,3.337,6,0.402,0.68,1.0,0.3402268521691454,0.30145295044890685,0.1219930093893496,0.13002021794256732,0.2234232574874923
EOS-2-15041,Cc1nc(-c2ccc(F)nc2)c(-c2nnc3cncc(-c4ccc(-c5cnco5)s4)n23)s1,DQAXOFVMBSAXNM-UHFFFAOYSA-N,2,1,0.309,32,392,461.507,5.141,6,0.335,0.62,0.991,0.17405421150023986,0.26539476389555205,0.2639469536015352,0.31638510040435885,0.2549452573504215
EOS-2-15042,COc1cc(-c2nnc3cncc(OCc4[nH]c(C)nc(=O)c4C)n23)ccc1-c1nccs1,LANUPKMXYTYMMO-UHFFFAOYSA-N,2,1,0.398,15,61,461.507,3.203,5,0.409,0.57,1.0,0.23253204029881433,0.19529161812075937,0.13022582413816736,0.06398636145569186,0.15550896100335826
EOS-2-15043,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)o1,MNBNERKJXHVSRD-UHFFFAOYSA-N,2,1,0.345,76,653,461.507,5.141,6,0.359,0.61,0.998,0.12761291206908368,0.2966212048523062,0.26395552052635185,0.3611472825714482,0.2623342300047975
EOS-2-15044,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)s1,NKNFWVJKYYASQV-UHFFFAOYSA-N,2,1,0.345,76,653,461.507,5.141,6,0.359,0.59,0.998,0.12475155918031663,0.2758721129463368,0.2072082105407443,0.3037574532245905,0.22789733397299705
EOS-2-15045,COc1ccc(-c2ccc(-c3nnc4cncc(OCCCc5ccccc5)n34)cn2)cn1,ZDYBBTNZGYHBOW-UHFFFAOYSA-N,2,1,0.588,1,56,438.491,4.269,5,0.334,0.84,1.0,0.7421098622438489,0.5019361250085669,0.41879411966280583,0.3286443698170105,0.497871119183058
EOS-2-15046,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)cn2)cc1,QTRFLVMASRTECE-UHFFFAOYSA-N,2,1,0.354,3,668,438.491,5.512,6,0.364,0.75,1.0,0.050185045576040026,0.24017373723528201,0.8311373449386609,0.8591426221643479,0.4951596874785827
EOS-2-15047,COc1cc(-c2nnc3cncc(OCCc4ccccc4C)n23)ccc1-c1cnccn1,YROVIJNHBYFNFS-UHFFFAOYSA-N,2,1,0.585,15,777,438.491,4.187,5,0.377,0.73,1.0,0.5992049893770133,0.36493386334041533,0.5908351038311288,0.4340775135357412,0.4972628675210746
EOS-2-15048,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,NABABHFEPFHEST-UHFFFAOYSA-N,2,1,0.329,30,668,438.491,5.512,6,0.364,0.75,1.0,0.020423548762936058,0.24524535672674935,0.8199061065040093,0.8539596326502639,0.48488366116098963
EOS-2-15049,O=Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cc5)n34)nc2)n1,WIGKAWYNDGPJQC-UHFFFAOYSA-N,2,1,0.309,69,479,461.51,4.851,6,0.338,0.75,1.0,0.03831985470495511,0.10190357069426359,0.4263330135014735,0.405018504557604,0.24289373586457405
EOS-2-15050,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cscn5)s4)n23)c(F)c1,KGHCHGHGUDRKJV-UHFFFAOYSA-N,2,1,0.317,98,63,461.511,3.973,6,0.392,0.54,1.0,0.16045850181618806,0.2807466931670208,0.1736772668083065,0.23511925159344801,0.21250042834624086
EOS-2-15051,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)c(F)c2)nn1,CAWOXYYFSTVKDY-UHFFFAOYSA-N,2,1,0.321,76,653,461.511,3.973,6,0.392,0.58,0.998,0.09154615859091221,0.2600918374340347,0.2863751627715715,0.34478445617161263,0.24569940374203275
EOS-2-15052,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)ccc1-c1cccs1,LTVXTXDMOOMCEB-UHFFFAOYSA-N,2,1,0.351,69,30,438.487,6.586,6,0.312,0.72,1.0,0.3794633678294839,0.4616887122198616,0.927455280652457,0.9389692276060585,0.6768941470769653
EOS-2-15053,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cscn6)cn5)n34)nc2)cn1,WXLCLKAKHJDJRQ-UHFFFAOYSA-N,2,1,0.258,86,652,438.48,3.167,6,0.412,0.6,1.0,0.028090946473853746,0.045918717017339454,0.1799225549996573,0.17246076348433967,0.10659824549379754
EOS-2-15054,Cn1cnc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)cn2)c1,ZJNKKASMDSEAQP-UHFFFAOYSA-N,2,1,0.289,86,780,438.48,3.167,6,0.412,0.68,1.0,0.09850250154204647,0.09576965252552944,0.13614556918648482,0.13658248235213488,0.1167500514015489
EOS-2-15055,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4scnc4-c4ccccn4)n23)nc1,KJLFXUGHSMPODK-UHFFFAOYSA-N,2,1,0.296,70,935,438.48,3.167,6,0.412,0.6,1.0,0.08642313755054486,0.09872524158727983,0.0522668083064903,0.07292166403947639,0.07758421287094784
EOS-2-15056,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)nn1,ONWURPIENJZHTC-UHFFFAOYSA-N,2,1,0.293,98,154,438.48,3.465,6,0.444,0.62,1.0,0.09851106846686314,0.19070831334384208,0.11031629086423138,0.12380919745048317,0.13083621753135494
EOS-2-15057,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)nc1,VMUCWDSLESOWOP-UHFFFAOYSA-N,2,1,0.289,98,63,438.48,3.167,6,0.412,0.62,1.0,0.03296552669453773,0.07242478240010966,0.18649338633404153,0.19436639024055924,0.12156252141731204
EOS-2-15058,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)c2)nn1,OYQNMTNZYQYWCT-UHFFFAOYSA-N,2,1,0.289,70,899,438.48,3.167,6,0.412,0.63,1.0,0.03988760194640532,0.065014392433692,0.19655095606880954,0.19993489137139334,0.12534696045507504
EOS-2-15059,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)nc1,GAQVUNDLEUYUFM-UHFFFAOYSA-N,2,1,0.321,8,654,438.48,3.167,6,0.412,0.75,1.0,0.08200260434514427,0.1117983688575149,0.09052669453772874,0.14858474402028649,0.10822810294016859
EOS-2-15060,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)c1,IKLOAFRQQUTPMK-UHFFFAOYSA-N,2,1,0.324,25,791,438.48,3.167,6,0.412,0.77,1.0,0.04567027619765609,0.06502295935850867,0.15755431430333766,0.215004112123912,0.1208129154958536
EOS-2-15061,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cncs6)n5)n34)cc2)n[nH]1,ABZDPKRJBFIPJL-UHFFFAOYSA-N,2,1,0.282,98,186,438.48,3.465,6,0.444,0.61,0.999,0.10613563155369748,0.17810636693852375,0.15433315057227057,0.17509080940305669,0.15341648961688711
EOS-2-15062,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)c2)n1,HMXSDUSBZGIOTH-UHFFFAOYSA-N,2,1,0.324,25,340,438.48,3.167,6,0.412,0.7,1.0,0.03832842162977178,0.06503152628332534,0.1607926118840381,0.19994345829621,0.1160240045233363
EOS-2-15063,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)cn1,NVSPLFQJUSPECE-UHFFFAOYSA-N,2,1,0.286,98,727,438.48,3.167,6,0.412,0.61,1.0,0.03539853334247139,0.06504009320814201,0.20012336371736,0.22317695839901308,0.1309347371667466
EOS-2-15064,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cs1,LAQROTORJCKQOR-UHFFFAOYSA-N,2,1,0.282,98,866,438.48,3.167,6,0.412,0.58,1.0,0.07358988417517648,0.10521040367349736,0.1189860187786992,0.1669436639024056,0.11618249263244465
EOS-2-15065,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)c2)nn1,GNYBTVWNHKVIKF-UHFFFAOYSA-N,2,1,0.29,98,725,438.48,3.167,6,0.412,0.58,1.0,0.04423959975327257,0.05332054005894044,0.2140189157699952,0.22318552532382976,0.1336911452265095
EOS-2-15066,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4nnsn4)nc3)n12,TXEWFFKSEJKEJW-UHFFFAOYSA-N,2,1,0.266,98,880,438.48,3.167,6,0.412,0.56,0.397,0.029238914399287233,0.020217942567336028,0.06181892947707491,0.10532177369611405,0.05414939003495306
EOS-2-15067,COc1cc(-c2nnc3cncc(OCCC4CCOCC4)n23)ccc1-c1ccc(CO)nc1,QCOFHDGDIJWFLG-UHFFFAOYSA-N,2,1,0.517,5,548,461.522,3.55,5,0.425,0.59,1.0,0.4563258172846275,0.1282982660544171,0.11899458570351587,0.19995202522102665,0.22589267356589676
EOS-2-15068,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)s2)nn1,PFNPLMWJZWHZPL-UHFFFAOYSA-N,2,1,0.333,38,193,438.476,4.335,6,0.4,0.65,1.0,0.21593790692892878,0.2094441779178946,0.18318655335480777,0.19437495716537592,0.20073589884175175
EOS-2-15069,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)o1,HPCDFZYZPQEMGB-UHFFFAOYSA-N,2,1,0.326,38,787,438.476,4.335,6,0.4,0.68,1.0,0.11679288602563224,0.1738914399287232,0.27114317044753616,0.25591974504831744,0.2044368103625523
EOS-2-15070,Cc1csc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)n1,QSSONPDGVYCRAW-UHFFFAOYSA-N,2,1,0.315,38,270,438.476,4.335,6,0.4,0.61,1.0,0.11407717085874855,0.18661332328147487,0.1931584538414091,0.19171921047220888,0.17139203961346033
EOS-2-15071,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cc2)s1,HKPQVFHQQHAUPU-UHFFFAOYSA-N,2,1,0.373,93,641,438.476,4.335,6,0.4,0.76,1.0,0.14110581865533547,0.18222705777534096,0.12200157631416626,0.1564320471523542,0.15044162497429922
EOS-2-15072,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)s1,JURILSXNTSVAIN-UHFFFAOYSA-N,2,1,0.333,9,894,438.476,4.335,6,0.4,0.69,1.0,0.11931156192173258,0.18223562470015764,0.2711517373723528,0.27346480707285314,0.21154093276677405
EOS-2-15073,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cscn6)c5)n34)nc2)no1,OOINTJFHCILQOV-UHFFFAOYSA-N,2,1,0.312,32,179,438.476,4.335,6,0.4,0.68,1.0,0.13844150503735178,0.1387584812555685,0.21731718182441231,0.23820334452744843,0.18318012816119525
EOS-2-15074,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)cc2)o1,YZESLPZXJOYNNN-UHFFFAOYSA-N,2,1,0.293,38,303,438.476,4.335,6,0.4,0.71,1.0,0.08895894729627853,0.14247652662600233,0.36378589541498185,0.33528373654992805,0.2326262764717977
EOS-2-15075,N=c1[nH]nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)cc2)o1,OKWAIXOIUNWMNB-UHFFFAOYSA-N,2,1,0.274,32,339,438.476,4.044,6,0.428,0.63,1.0,0.08201117126996094,0.0957782194503461,0.35996504694674797,0.3480655883763964,0.22145500651086286
EOS-2-15076,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)no1,KRPLVOZFTOHFLY-UHFFFAOYSA-N,2,1,0.337,38,983,438.476,4.335,6,0.4,0.66,1.0,0.2023079295456103,0.19530018504557603,0.24260674388321568,0.24390034953053252,0.22102880200123365
EOS-2-15077,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)s5)n34)cc2)no1,MRMUEIQRROADQL-UHFFFAOYSA-N,2,1,0.307,38,983,438.476,4.335,6,0.4,0.73,1.0,0.16046706874100472,0.22968782125968062,0.27892193818107053,0.26799910903981905,0.23426898430539372
EOS-2-15078,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)cc2)s1,JLICHVJZQGSKAD-UHFFFAOYSA-N,2,1,0.326,38,787,438.476,4.335,6,0.4,0.65,1.0,0.10369405798094716,0.14606606812418615,0.24608491535878282,0.24390891645534918,0.18493848947981634
EOS-2-15079,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)o1,SSUCXVHDUHFXHA-UHFFFAOYSA-N,2,1,0.31,38,787,438.476,4.335,6,0.4,0.8,1.0,0.10370262490576383,0.1781149338633404,0.2211208964430128,0.21201425536289495,0.178738177643753
EOS-2-15080,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5noc(-c6ccccc6)n5)n34)cc2)s1,MGFJRPITDZXYGY-UHFFFAOYSA-N,2,1,0.357,9,598,438.476,4.335,6,0.4,0.76,1.0,0.14970701117126997,0.1822441916249743,0.11032485778904805,0.14366732917551917,0.14648584744020288
EOS-2-15081,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cscn6)cn5)n34)cc2)o1,PILFBCIINRANDK-UHFFFAOYSA-N,2,1,0.306,38,167,438.476,4.335,6,0.4,0.64,1.0,0.17990542115002398,0.22969638818449728,0.31165615790555823,0.282545747378521,0.25095092865465013
EOS-2-15082,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cn2)o1,SZRGHAOMUBZQRI-UHFFFAOYSA-N,2,1,0.342,42,723,438.476,4.335,6,0.4,0.65,0.996,0.17991398807484066,0.20456103077239393,0.3079466794599411,0.2706205880337194,0.24076057158522374
EOS-2-15083,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)o1,XKWLJNBGLYNYAG-UHFFFAOYSA-N,2,1,0.307,38,57,438.476,4.335,6,0.4,0.66,1.0,0.1037111918305805,0.16164073744088822,0.2566907682818176,0.25592831197313415,0.19449275238160513
EOS-2-15084,Cc1ncc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cs2)o1,REJRGUMQBZQWPB-UHFFFAOYSA-N,2,1,0.301,38,608,438.476,4.335,6,0.4,0.64,1.0,0.1768127612912069,0.19071688026865877,0.17679562744157357,0.16971934754300597,0.17851115413611132
EOS-2-15085,Cc1ncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cccnc6)s5)n34)cn2)o1,VKYCNRNHEYPNPW-UHFFFAOYSA-N,2,1,0.305,94,459,438.476,4.335,6,0.4,0.65,1.0,0.152491261736687,0.1283068329792338,0.2036101021177438,0.20877595778219452,0.17329603865396476
EOS-2-15086,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)s2)nn1,RPTGLJFBCIKYJG-UHFFFAOYSA-N,2,1,0.338,38,865,438.476,4.335,6,0.4,0.72,1.0,0.23820334452744843,0.20456959769721061,0.2605630182989514,0.2559368788979508,0.23981820985539032
EOS-2-15087,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(-c2nccs2)n1,STVSADRGTLMOHL-UHFFFAOYSA-N,2,1,0.275,42,174,438.476,4.335,6,0.4,0.68,0.999,0.1604756356658214,0.16164930436570488,0.19316702076622574,0.21754848879446234,0.18321011239805357
EOS-2-15088,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccsc6)n5)n34)cc2)o1,DMZZMDJXCULRDJ-UHFFFAOYSA-N,2,1,0.298,42,303,438.476,4.335,6,0.4,0.67,1.0,0.18278390788842436,0.19072544719347542,0.2753666643821534,0.27654033308203685,0.2313540881365225
EOS-2-15089,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6cccc6)cc5)n34)cc2)cn1,MICPJULJIFQGEE-UHFFFAOYSA-N,2,1,0.603,77,603,461.529,4.604,6,0.347,0.7,1.0,0.6565519840997875,0.47459050099376326,0.7029247481324103,0.6237235282023165,0.6144476903570694
EOS-2-15090,CN(C)Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(C#N)cc5)n4)n23)cc1,URBQDGUQQZSRLQ-UHFFFAOYSA-N,2,1,0.506,1,347,461.529,4.366,5,0.355,0.79,1.0,0.5790213145089439,0.5019446919333836,0.7389315331368652,0.6058015214858474,0.6064247652662601
EOS-2-15091,Fc1ccc(C2CCCN2c2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)nc1,DNNPZFGJNWVZIG-UHFFFAOYSA-N,2,1,0.38,75,496,438.47,4.124,6,0.417,0.69,1.0,0.2107463504900281,0.20457816462202727,0.15145466383387018,0.31029401685970803,0.2192682989514084
EOS-2-15092,Fc1ccc(-c2cc(-c3nnc4cncc(OC5CCc6ccccc6C5)n34)ccn2)cn1,MSTGENZNCNFOAV-UHFFFAOYSA-N,2,1,0.443,11,525,438.466,4.324,6,0.389,0.62,0.999,0.6963110821739429,0.7437804125830991,0.6762559111781234,0.7233568638201631,0.7099260674388321
EOS-2-15093,Fc1ccccc1-c1cncc(COc2cncc3nnc(-c4ccc(C5CC5)cc4)n23)n1,FXZNAXGMFYYVON-UHFFFAOYSA-N,2,1,0.489,1,700,438.466,4.844,6,0.377,0.75,1.0,0.8105081899801247,0.7609742306901515,0.6705589061750394,0.7286683572064971,0.7426774210129532
EOS-2-15094,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccs4)n23)c(F)c1,GJQXHTXVSPDHLM-UHFFFAOYSA-N,2,1,0.557,26,911,438.463,4.404,5,0.377,0.69,1.0,0.5412754437667056,0.552198272907957,0.6216588993214995,0.6089113151942979,0.581010982797615
EOS-2-15095,Cn1nc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1ccc(F)c(F)c1,HAGLAISPULYUPS-UHFFFAOYSA-N,2,1,0.517,95,998,438.463,4.153,5,0.398,0.73,1.0,0.4928980193269824,0.3935216914536358,0.6677660886848057,0.6789116578712905,0.5582743643341787
EOS-2-15096,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)s4)n23)ccc1F,LWDZOMODQZDURF-UHFFFAOYSA-N,2,1,0.478,26,911,438.463,4.593,5,0.388,0.69,1.0,0.6565605510246042,0.6381245288191351,0.7465560962236996,0.7017339455828936,0.6857437804125831
EOS-2-15097,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nnc6ccccn56)n34)cn2)n1,MQKMVYWZFZXDDZ-UHFFFAOYSA-N,2,1,0.433,71,502,438.455,2.251,6,0.389,0.66,1.0,0.43994585703515865,0.30657597148927423,0.05227537523130697,0.061039339318758136,0.2149591357686245
EOS-2-15098,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)o2)n1C,NVMHVJPZCSNQHG-UHFFFAOYSA-N,2,1,0.315,98,890,438.455,2.951,6,0.412,0.59,1.0,0.08643170447536153,0.04592728394215612,0.054211500239873894,0.05235247755465698,0.059730741553012126
EOS-2-15099,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccncc5)n34)o2)n1C,FOIIVSCQPBNZKU-UHFFFAOYSA-N,2,1,0.272,99,794,438.455,2.951,6,0.412,0.59,0.973,0.013415804262901789,0.006339524364334178,0.05038208484682338,0.05104173805770681,0.030294787882941543
EOS-2-15100,COc1cc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)ccc1-c1ccnn1C,CAWARFYXEDSKCC-UHFFFAOYSA-N,2,1,0.565,89,591,438.451,3.046,5,0.397,0.69,1.0,0.4263330135014735,0.21933897608114591,0.597354533616613,0.39909019258446987,0.41052917894592555
EOS-2-15101,COc1cc(-c2nnc3cncc(OCc4cncc(C#N)c4)n23)ccc1-c1ccn(C)n1,LUZIYRGSTMMBAB-UHFFFAOYSA-N,2,1,0.467,16,591,438.451,3.046,5,0.397,0.72,1.0,0.43502844219039133,0.28622095812487147,0.6126293605647317,0.4370673702967583,0.4427365327941882
EOS-2-15102,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)cc1O,CUGNBFIMPNBBSV-UHFFFAOYSA-N,2,1,0.625,89,309,438.451,2.786,5,0.429,0.61,1.0,0.6565691179494209,0.5381913508327051,0.5554108697142074,0.4806473168391474,0.5577046638338703
EOS-2-15103,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)n6C)o5)n34)cc2)o1,GSXRSYFFGMEZAN-UHFFFAOYSA-N,2,1,0.303,98,193,438.451,4.119,6,0.404,0.58,0.998,0.13597423069015147,0.10191213761908026,0.14523507641696937,0.12584812555685013,0.1272423925707628
EOS-2-15104,COc1cc(-c2nccs2)cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,PHFGRWOPSIBOPF-UHFFFAOYSA-N,2,1,0.382,21,810,461.55,6.257,6,0.303,0.78,1.0,0.24911760674388322,0.16934240285107258,0.8006990610650401,0.767870605167569,0.49675741895689124
EOS-2-15105,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)cc1,YVZYWYCFZYTRJC-UHFFFAOYSA-N,2,1,0.438,69,479,461.55,6.257,6,0.303,0.76,1.0,0.20513501473511067,0.17812350078815709,0.787600233020355,0.7395826194229319,0.47761034199163865
EOS-2-15106,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4)n23)cc1,DVLXUTWVYCVXGN-UHFFFAOYSA-N,2,1,0.4,21,695,461.55,6.257,6,0.303,0.7,1.0,0.2214464395860462,0.1460746350490028,0.832782194503461,0.7937255842642725,0.49850721335069564
EOS-2-15107,COc1ccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)s2)cc1,UUGYCGOWCWIACN-UHFFFAOYSA-N,2,1,0.385,93,93,461.55,6.257,6,0.303,0.66,1.0,0.18848091289150845,0.15401617435405388,0.70038037146186,0.6820300185045576,0.431226869302995
EOS-2-15108,c1ccc(-c2ccc(-c3nnc4cncc(OCc5csnc5-c5ccccc5)n34)cc2)cc1,FYPJKCPKJKWECF-UHFFFAOYSA-N,2,1,0.532,21,47,461.55,6.161,6,0.297,0.7,1.0,0.5816770612021109,0.5335566445068878,0.692515934480159,0.7286769241313138,0.6341066410801179
EOS-2-15109,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)cn2)cc1,HPLWFFLTQOWYHG-UHFFFAOYSA-N,2,1,0.457,69,695,461.55,6.257,6,0.303,0.72,1.0,0.22430779247481325,0.20945274484271126,0.8274107326434104,0.7799842368583373,0.510288876704818
EOS-2-15110,c1ccc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6ccccc6)n5)n34)cc2)cc1,RWDBVVPBLKXOHA-UHFFFAOYSA-N,2,1,0.543,21,47,461.55,6.161,6,0.297,0.76,1.0,0.5260862860667535,0.5809660064423274,0.6456634226578027,0.669976355287506,0.6056730176135974
EOS-2-15111,CCn1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)c(C)n1,PBZZWKREPUNTRY-UHFFFAOYSA-N,2,1,0.489,15,777,461.551,4.07,5,0.344,0.71,1.0,0.21888492906586252,0.15402474127887053,0.13936673291755192,0.07492632444657665,0.1468006819272154
EOS-2-15112,COc1cc(-c2nnc3cncc(OCc4nc(F)cs4)n23)ccc1-c1cnnn1C,XSYAIOVBAJCONX-UHFFFAOYSA-N,2,1,0.479,36,940,438.448,2.77,5,0.399,0.69,1.0,0.37720169967788364,0.4974641902542663,0.21070351586594477,0.14367589610033582,0.3072613254746076
EOS-2-15113,COc1cc(COc2cncc3nnc(-c4csc(-c5cn(C)nn5)c4)n23)c(F)cn1,YWKCNPPXAANCPH-UHFFFAOYSA-N,2,1,0.419,92,134,438.448,2.77,5,0.399,0.64,1.0,0.3772102666027003,0.3014615173737235,0.2789305051058872,0.1890291960797752,0.28665787129052156
EOS-2-15114,COc1cc(-c2nnc3cncc(OCc4ncc(F)s4)n23)ccc1-c1cnnn1C,XKTHCLMKTNKTMH-UHFFFAOYSA-N,2,1,0.494,36,638,438.448,2.77,5,0.399,0.5,1.0,0.39723116989925294,0.4745990679185799,0.21402748269481187,0.14631450894386952,0.30804305736412857
EOS-2-15115,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)nc4)n23)cc1,KFRXLOZXHCBMBI-UHFFFAOYSA-N,2,1,0.763,79,347,438.447,4.383,5,0.274,0.78,1.0,0.9592814063463779,0.4217582756493729,0.4901566033856487,0.2943766705503392,0.5413932389829348
EOS-2-15116,COc1cc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)ccc1-c1cnco1,MZBNSXLTZOHGKX-UHFFFAOYSA-N,2,1,0.649,91,955,438.447,3.948,5,0.376,0.72,1.0,0.8431824412308958,0.5245528065245699,0.7767288054280036,0.6383986704132685,0.6957156808991845
EOS-2-15117,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccc(C)n6)s5)n34)nc2)n1,XQQHTBBAUAGWSO-UHFFFAOYSA-N,2,1,0.271,76,126,461.554,5.656,6,0.337,0.67,0.819,0.044248166678089236,0.12111918305804949,0.4188026865876225,0.37729593585086696,0.24036649304365704
EOS-2-15118,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)s6)cc5)n34)cc2)cn1,QYAZPPFLLBHPRG-UHFFFAOYSA-N,2,1,0.31,69,645,461.554,5.656,6,0.337,0.69,1.0,0.07758207113974368,0.1654530189843054,0.5616989925296415,0.4988862997738332,0.32590509560688097
EOS-2-15119,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(C)n6)cc5)n34)s2)nn1,MESFFESCFSEOHP-UHFFFAOYSA-N,2,1,0.311,38,270,461.554,5.656,6,0.337,0.69,1.0,0.11104447947364814,0.16165787129052156,0.46589507230484545,0.4307792474813241,0.2923441676375848
EOS-2-15120,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(C(F)F)nc5)n34)c(F)c2)s1,XCGGYKIIGDSRQG-UHFFFAOYSA-N,2,1,0.337,96,478,438.438,5.362,5,0.378,0.69,0.998,0.3330649030224111,0.5153090946473854,0.8598793776985814,0.829535329997944,0.6344471763415804
EOS-2-15121,Fc1cncc(-c2nc(-c3nnc4cncc(OCCC5CCOCC5)n34)ccc2F)c1,ZPYVIYYYFVCDRM-UHFFFAOYSA-N,2,1,0.415,78,548,438.438,3.722,5,0.453,0.7,1.0,0.435037009115208,0.35051572887396343,0.1077290795695977,0.35427660886848056,0.3118896066068124
EOS-2-15122,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)s2)nn1,XTSKOSUYIFQXLA-UHFFFAOYSA-N,2,1,0.329,22,140,438.438,5.362,5,0.378,0.69,1.0,0.33548934274552805,0.5476149681310397,0.9017630731272702,0.8887756151052019,0.6684107497772599
EOS-2-15123,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)cc2F)cc1F,NMXJHIAUWUYNRE-UHFFFAOYSA-N,2,1,0.689,57,80,438.434,5.516,5,0.363,0.75,1.0,0.9404084709752587,0.9576365567815777,0.9713864711123296,0.972405935165513,0.9604593585086698
EOS-2-15124,Fc1cc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccc1-c1ccsc1,DMCMLJNZEMCQOK-UHFFFAOYSA-N,2,1,0.514,96,558,438.434,5.927,5,0.341,0.81,1.0,0.6661897745185388,0.8441419368103625,0.9858303063532314,0.9851363854430814,0.8703246007813036
EOS-2-15125,Fc1cc(-c2ccsc2)ccc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,UNHCZAJQXUUJQA-UHFFFAOYSA-N,2,1,0.514,96,558,438.434,5.927,5,0.341,0.83,1.0,0.610530463984648,0.8339644301281612,0.9856161332328147,0.9848022753752314,0.8537283256802138
EOS-2-15126,Cn1cc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(-c2ccc(F)cn2)n1,SWFMFVAOOQTDJE-UHFFFAOYSA-N,2,1,0.299,98,7,438.43,3.178,6,0.449,0.67,1.0,0.14658865053800288,0.2344852991570146,0.3192635871427592,0.36115584949626484,0.26537334658351036
EOS-2-15127,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cc2)nn1,XSUZVLRPPMYXMS-UHFFFAOYSA-N,2,1,0.313,9,7,438.43,3.178,6,0.449,0.64,1.0,0.16869988348982248,0.2246847371667466,0.4760468782125968,0.47468473716674664,0.3360290590089781
EOS-2-15128,Cn1nccc1-c1cnc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)cn1,VOTKPSUEGISNGI-UHFFFAOYSA-N,2,1,0.317,10,151,438.43,2.974,6,0.417,0.73,1.0,0.01094852991570146,0.12112774998286616,0.3562298677266808,0.3929391405661024,0.2203113220478377
EOS-2-15129,Cn1ccnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1F,TUVRBRHNEOHTQZ-UHFFFAOYSA-N,2,1,0.31,38,154,438.43,3.178,6,0.449,0.65,1.0,0.23553046398464808,0.28075526009183743,0.37522274004523337,0.37057089986978275,0.31551984099787544
EOS-2-15130,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6)nn5)n34)nc2)n[nH]1,OXOOFUPVUVBZPZ-UHFFFAOYSA-N,2,1,0.279,10,37,438.43,3.272,6,0.449,0.68,0.033,0.010263175930368035,0.10521897059831403,0.3562384346514975,0.3990987595092865,0.21770483517236652
EOS-2-15131,Cn1cc(-c2cn(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cn5)n34)cn2)cn1,COWFWPJKBBEABD-UHFFFAOYSA-N,2,1,0.295,86,151,438.43,2.974,6,0.417,0.64,0.985,0.0036152422726338155,0.08940442738674526,0.40810259749160444,0.4050270714824207,0.22653733465835105
EOS-2-15132,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5c[nH]nn5)cc4F)n23)cc1,VUMHTDDVYVMTJE-UHFFFAOYSA-N,2,1,0.306,98,725,438.43,3.178,6,0.449,0.67,1.0,0.17406277842505655,0.21431875813857856,0.5283479542183538,0.5193783839353026,0.3590269686793229
EOS-2-15133,Cc1nccc(-n2cc(-c3cncc4nnc(-c5c[nH]nc5-c5ccc(F)cc5)n34)cn2)n1,JPCIABTYTGUDRM-UHFFFAOYSA-N,2,1,0.298,10,151,438.43,3.272,6,0.449,0.64,0.999,0.008926735658967858,0.10192070454389693,0.344724487697896,0.3865824823521349,0.21053860256322393
EOS-2-15134,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1-c1cccc(F)c1,JLQRXQCLJSYCQB-UHFFFAOYSA-N,2,1,0.345,98,693,438.43,3.178,6,0.449,0.65,0.999,0.1140857377835652,0.2401823041600987,0.3301692824343774,0.39010348845178533,0.26863520320745665
EOS-2-15135,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)cc2)nn1,QTIGPNRSRSTDMC-UHFFFAOYSA-N,2,1,0.313,9,7,438.43,3.178,6,0.449,0.68,1.0,0.1799225549996573,0.2500514015489,0.4659036392296621,0.4746933040915633,0.3426427249674457
EOS-2-15136,Cn1cc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)c(-c2ccc(F)cc2)n1,LUCFBFFVADARPE-UHFFFAOYSA-N,2,1,0.322,10,620,438.43,2.974,6,0.417,0.69,1.0,0.010271742855184703,0.11476252484408196,0.3006733602905901,0.3773045027756836,0.2007530326913851
EOS-2-15137,Cn1cc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)c(-c2ccc(F)cc2)n1,JHGLMYYMHBNCBS-UHFFFAOYSA-N,2,1,0.329,98,154,438.43,3.178,6,0.449,0.71,1.0,0.14971557809608663,0.2966297717771229,0.3264512370639435,0.380311493386334,0.28827702008087175
EOS-2-15138,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)nc2)cn1,JICVFHBEBBQNQH-UHFFFAOYSA-N,2,1,0.314,98,154,438.43,3.178,6,0.449,0.69,1.0,0.16048420259063806,0.27588067987115344,0.5039407854156672,0.47763175930368035,0.3544843567952848
EOS-2-15139,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3nnnn3-c3ccc(F)cc3)n12,CZEFYARAQPXPAS-UHFFFAOYSA-N,2,1,0.302,10,748,438.43,2.974,6,0.417,0.68,0.594,0.013424371187718456,0.11775238160509903,0.13615413611130148,0.27654890000685356,0.13596994722774314
EOS-2-15140,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cn6)c5)n34)cn2)cn1,VNUBSLCQPFYHOS-UHFFFAOYSA-N,2,1,0.314,86,151,438.43,2.974,6,0.417,0.69,1.0,0.015805976286752108,0.1540333082036872,0.4112723596737715,0.39589472962785277,0.2442515934480159
EOS-2-15141,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cc2)n[nH]1,WTNURHCKHBMCFQ-UHFFFAOYSA-N,2,1,0.343,3,289,438.43,3.272,6,0.449,0.74,1.0,0.03833698855458845,0.16166643821533822,0.27537523130697006,0.31925502021794255,0.19865841957370983
EOS-2-15142,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3cnn(-c4ncc(F)cn4)c3)n12,BABLKCUPNPWYPF-UHFFFAOYSA-N,2,1,0.27,10,151,438.43,2.974,6,0.417,0.67,0.852,0.004754643273250634,0.04593585086697279,0.1422966212048523,0.2030018504557604,0.09899724145020904
EOS-2-15143,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5)n4)n23)cc1,IHBAYNGYHMNVML-UHFFFAOYSA-N,2,1,0.354,3,973,438.43,2.974,6,0.417,0.76,1.0,0.06044822150640806,0.17813206771297374,0.23907717085874855,0.3103025837845247,0.19699001096566376
EOS-2-15144,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)c1-c1ccc(F)cc1,DHSOLCCFJHJXHL-UHFFFAOYSA-N,2,1,0.337,98,154,438.43,3.178,6,0.449,0.61,1.0,0.14111438558015216,0.3065845384140909,0.3373140977314783,0.3959032965526695,0.2952290795695977
EOS-2-15145,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)n4)n23)cc1,OOKCEWJTAVPBFM-UHFFFAOYSA-N,2,1,0.362,67,642,438.43,2.974,6,0.417,0.76,1.0,0.028099513398670412,0.2246933040915633,0.29722088958947296,0.3542851757932972,0.22607472071825097
EOS-2-15146,Cn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)nn1,MGZWUFTXBUTYCG-UHFFFAOYSA-N,2,1,0.313,9,7,438.43,3.178,6,0.449,0.68,1.0,0.13055993420601741,0.22970495510931396,0.479859159756014,0.48391131519429786,0.3310088410664108
EOS-2-15147,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cc2)n[nH]1,NFIPRHXNAMFSTL-UHFFFAOYSA-N,2,1,0.329,9,7,438.43,3.476,6,0.431,0.64,1.0,0.28639229662120486,0.34070659995887875,0.42634158042629017,0.4215441025289562,0.3687461448838325
EOS-2-15148,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)n6)c5)n34)cc2)n[nH]1,JLYGEXCXIWEMOR-UHFFFAOYSA-N,2,1,0.312,9,150,438.43,3.272,6,0.42,0.69,1.0,0.010957096840518127,0.14996401891577,0.32281029401685973,0.3192635871427592,0.20074874922897679
EOS-2-15149,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nc[nH]n6)cc5F)n34)cc2)cn1,MPTKEXRUMLYSGH-UHFFFAOYSA-N,2,1,0.302,98,154,438.43,3.178,6,0.449,0.65,1.0,0.1578455897471044,0.3014700842985402,0.43739291343979164,0.4307878144061408,0.33187410047289423
EOS-2-15150,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)c(F)c1,PVBGPTTZFODONO-UHFFFAOYSA-N,2,1,0.299,98,154,438.43,3.178,6,0.449,0.65,1.0,0.21075491741484476,0.2915752861352889,0.44474333493249263,0.43079638133095743,0.3444674799533959
EOS-2-15151,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cn[nH]c6)c5)n34)c(F)c2)n1,NOJZGWRENVIKCU-UHFFFAOYSA-N,2,1,0.303,25,745,438.43,3.178,6,0.449,0.63,1.0,0.2243163593996299,0.33584915358782813,0.4374014803646083,0.48974539099444864,0.37182809608662876
EOS-2-15152,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5F)n4)n23)cc1,BYYCHOLALUWWHK-UHFFFAOYSA-N,2,1,0.313,8,973,438.43,2.974,6,0.417,0.73,1.0,0.07989514084024399,0.19991775752176,0.1965595229936262,0.27062915495853607,0.18675039407854155
EOS-2-15153,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4F)n23)cn1,FQKNDULSLZBWEY-UHFFFAOYSA-N,2,1,0.295,98,314,438.43,3.178,6,0.449,0.72,1.0,0.21594647385374546,0.3014786512233569,0.38632547460763483,0.4180145295044891,0.33044128229730657
EOS-2-15154,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)s2)nc1,XEDXXJCOVKRHEY-UHFFFAOYSA-N,2,1,0.289,76,368,461.572,6.511,6,0.3,0.61,1.0,0.16325988623123844,0.1616750051401549,0.6245716537591666,0.6961568775272429,0.4114158556644507
EOS-2-15155,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cc1,FOSJCLYRTHZGQS-UHFFFAOYSA-N,2,1,0.338,9,867,438.426,4.048,6,0.409,0.63,1.0,0.3354979096703447,0.3117418271537249,0.609759440751148,0.5846497841134947,0.4604122404221781
EOS-2-15156,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cc2)o1,SLIDWKNXSCGZDF-UHFFFAOYSA-N,2,1,0.367,3,668,438.426,4.142,6,0.408,0.8,1.0,0.041361113014872185,0.21934754300596257,0.5418237269549723,0.5492683846206565,0.3379501918991159
EOS-2-15157,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(F)c1,VNGLXYCLRWSYOV-UHFFFAOYSA-N,2,1,0.329,9,38,438.426,4.048,6,0.409,0.74,1.0,0.34023541909396204,0.3794462339798506,0.6037283256802138,0.6121753135494483,0.4838963230758687
EOS-2-15158,Cn1ncc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)c1-c1ccc(F)cc1,IJCAMWDCEANSCQ-UHFFFAOYSA-N,2,1,0.364,3,641,438.426,4.048,6,0.409,0.79,1.0,0.232540607223631,0.3262456308683435,0.33732266465629496,0.4400486601329587,0.3340393907203071
EOS-2-15159,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ncoc4-c4ccccc4)n23)c1,NPELBUSDKRFZSQ-UHFFFAOYSA-N,2,1,0.298,30,192,438.426,4.048,6,0.409,0.63,1.0,0.27287368926050304,0.3407151668836954,0.4045901583167706,0.4839198821191145,0.3755247241450209
EOS-2-15160,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cc1,CXZBROWRQZFYIZ-UHFFFAOYSA-N,2,1,0.347,9,340,438.426,4.048,6,0.409,0.66,1.0,0.2919436639024056,0.30659310533890755,0.662625933794805,0.632478925364951,0.4734104071002673
EOS-2-15161,Cn1cc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c(-c2ccc(F)cn2)n1,QTEPZJHSTPLEKA-UHFFFAOYSA-N,2,1,0.329,42,725,438.426,4.048,6,0.409,0.73,1.0,0.2892365156603386,0.3309660064423275,0.5384312247275718,0.5460900555136728,0.4261809505859777
EOS-2-15162,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cc2)n1,CFUIMCMNGFERLU-UHFFFAOYSA-N,2,1,0.322,3,150,438.426,4.142,6,0.408,0.75,1.0,0.06569974641902543,0.21935610993077925,0.52478411349462,0.5294959221437873,0.334833972997053
EOS-2-15163,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cc5)o4)n23)c1,FAWVWACJWWMLIV-UHFFFAOYSA-N,2,1,0.358,3,642,438.426,4.048,6,0.409,0.76,1.0,0.2188934959906792,0.3459152902474128,0.4623912000548283,0.5161657871290521,0.3858414433554931
EOS-2-15164,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)c2)cc1F,POEHKQKAJUORBH-UHFFFAOYSA-N,2,1,0.467,46,160,438.426,3.542,5,0.409,0.73,1.0,0.6631485162086218,0.5756887807552601,0.7211380302926461,0.6324874922897676,0.648115704886574
EOS-2-15165,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)nc2)cn1,RMLQCDRNGLANRA-UHFFFAOYSA-N,2,1,0.359,32,714,438.426,4.048,6,0.409,0.69,1.0,0.2079792337742444,0.2862295250496882,0.5384397916523884,0.5559848536769242,0.3971583510383113
EOS-2-15166,Cn1ncc(-c2nnc3cncc(-c4nnc(-c5ccccc5F)o4)n23)c1-c1ccccc1,MTYHHOOXBZHCDS-UHFFFAOYSA-N,2,1,0.359,30,641,438.426,4.048,6,0.409,0.62,0.999,0.19392091015009252,0.29158385306010554,0.30795524638475774,0.4215526694537729,0.30375316976218214
EOS-2-15167,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6F)c5)n34)cc2)o1,DPDFADHGHPBTIN-UHFFFAOYSA-N,2,1,0.321,3,668,438.426,4.142,6,0.408,0.76,1.0,0.04567884312247276,0.255234391062984,0.5076502638612843,0.5161743540538688,0.3311844630251525
EOS-2-15168,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4F)n23)c1,HTHHQYPYLUYZBZ-UHFFFAOYSA-N,2,1,0.333,3,642,438.426,4.048,6,0.409,0.73,1.0,0.23553903090946474,0.28623809197450484,0.5283565211431704,0.5392879172092385,0.3973553903090946
EOS-2-15169,Cn1ncc(F)c1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)cc4)n23)cn1,LPIRTCRKNUOHNK-UHFFFAOYSA-N,2,1,0.333,32,339,438.426,4.048,6,0.409,0.66,1.0,0.2243249263244466,0.2552429579878007,0.5146922760605853,0.5258207113974368,0.38002021794256735
EOS-2-15170,Cn1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(-c2ccc(F)cc2)n1,BQQRNYWTQXOVAN-UHFFFAOYSA-N,2,1,0.368,9,340,438.426,4.048,6,0.409,0.71,1.0,0.15512987458022068,0.2915924199849222,0.5314577479268042,0.5751576314166267,0.38833441847714345
EOS-2-15171,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)cn1,TWGGHEVJSHSRPW-UHFFFAOYSA-N,2,1,0.602,35,234,438.426,3.276,5,0.397,0.74,1.0,0.9509971900486601,0.9507401823041601,0.6650932081420053,0.6209821122609828,0.7969531731889522
EOS-2-15172,N#Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)c1,MWRMNPBOXUWDSG-UHFFFAOYSA-N,2,1,0.48,87,304,438.426,3.276,5,0.397,0.7,1.0,0.8453841409087793,0.915281680487972,0.6539904735796038,0.6384072373380851,0.7632658830786101
EOS-2-15173,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nn4)n23)cc1,PHLKTYJNIOBFLN-UHFFFAOYSA-N,2,1,0.56,19,54,438.426,3.276,5,0.397,0.76,0.938,0.9285861147282571,0.8267510794325269,0.6126379274895484,0.6209906791857994,0.747241450209033
EOS-2-15174,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cc2)o1,RYBCKBJLXUCASO-UHFFFAOYSA-N,2,1,0.318,3,289,438.426,4.142,6,0.408,0.72,1.0,0.0697519018573093,0.2654033308203687,0.4760554451374135,0.4927095469810157,0.3259800561990268
EOS-2-15175,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4F)n23)nc1,QSMDHEBTXFWCHE-UHFFFAOYSA-N,2,1,0.321,32,693,438.426,4.048,6,0.409,0.68,1.0,0.31808991844287576,0.33097457336714414,0.5110427660886848,0.4839284490439312,0.4110089267356589
EOS-2-15176,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ocnc4-c4ccc(F)cc4)n23)nc1,GYFDDSQNNTYLOK-UHFFFAOYSA-N,2,1,0.346,32,572,438.426,4.048,6,0.409,0.72,1.0,0.33064903022411074,0.35548454526763074,0.41509320814200534,0.4559660064423275,0.38929819751901856
EOS-2-15177,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)c(F)c1,UVIVNDZYXZGUAH-UHFFFAOYSA-N,2,1,0.35,3,641,438.426,4.048,6,0.409,0.73,1.0,0.2567079021314509,0.3505242957987801,0.3863340415324515,0.4277808237954904,0.3553367658145432
EOS-2-15178,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4nnco4)c(F)c3)n12,OQXXWIYRXAJZNY-UHFFFAOYSA-N,2,1,0.298,30,498,438.426,4.048,6,0.409,0.72,1.0,0.15513844150503736,0.20946131176752794,0.415101775066822,0.48675553423343154,0.3166142656432047
EOS-2-15179,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cc6ccccn6n5)cn4)n23)n1,PUKXMBFQAFEWRP-UHFFFAOYSA-N,2,1,0.4,28,891,438.426,3.614,6,0.38,0.68,0.999,0.46075491741484476,0.497472757179083,0.48332876430676447,0.49271811390583237,0.48356863820163115
EOS-2-15180,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cn2)o1,PGUCEUWQXWWJFK-UHFFFAOYSA-N,2,1,0.364,10,673,438.426,4.142,6,0.408,0.74,0.816,0.03682920978685491,0.21432732506339525,0.5684497292851758,0.5559934206017408,0.3438999211842917
EOS-2-15181,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5F)n34)nc2)n[nH]1,NCYURXJLEMUGGA-UHFFFAOYSA-N,2,1,0.306,32,572,438.426,4.346,6,0.436,0.72,0.324,0.3656277842505654,0.4439466109245425,0.6456719895826194,0.6179494208758823,0.5182989514084024
EOS-2-15182,N#Cc1ccc(-c2cccnc2-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cn1,VNGJKJPINLBDLX-UHFFFAOYSA-N,2,1,0.469,11,367,438.426,3.276,5,0.397,0.66,0.992,0.8262798985676102,0.72519018573093,0.5418322938797889,0.5392964841340553,0.6581497155780961
EOS-2-15183,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3F)n12,YQACUXKAVGIGCD-UHFFFAOYSA-N,2,1,0.363,3,474,438.426,4.048,6,0.409,0.72,1.0,0.22989342745528066,0.35053286272359674,0.35255465698033034,0.45287334658351036,0.3464635734356795
EOS-2-15184,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ocnc4-c4ccc(F)cc4)n23)c1,GRFFIKNLSQDANX-UHFFFAOYSA-N,2,1,0.358,3,642,438.426,4.048,6,0.409,0.75,1.0,0.24098759509286546,0.3168477143444589,0.4336491672949078,0.5091666095538345,0.3751627715715167
EOS-2-15185,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2F)o1,YYTQHUDTLZFNIL-UHFFFAOYSA-N,2,1,0.321,9,834,438.426,4.346,6,0.436,0.64,1.0,0.33787094784456173,0.4126345007196217,0.6513090261119868,0.612183880474265,0.5034995887876088
EOS-2-15186,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)n5)n34)cc2)o1,WFUUDCPRWZNCBQ-UHFFFAOYSA-N,2,1,0.341,3,783,438.426,4.142,6,0.408,0.74,1.0,0.07990370776506066,0.26541189774518537,0.5110513330135015,0.5161829209786855,0.34313746487560826
EOS-2-15187,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)cc1,IDKFHUKKPJXQRF-UHFFFAOYSA-N,2,1,0.346,9,340,438.426,4.048,6,0.409,0.69,1.0,0.3378795147693784,0.34592385717222945,0.5940819683366458,0.5751661983414433,0.46326288465492427
EOS-2-15188,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c(F)c1,XJVNHCJAESCCAJ-UHFFFAOYSA-N,2,1,0.333,9,867,438.426,4.048,6,0.409,0.67,1.0,0.3204715235419094,0.31175039407854155,0.6097680076759646,0.5816427935028442,0.4559081796998149
EOS-2-15189,N#Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nc2)c1,HOCZERHFQRQEBE-UHFFFAOYSA-N,2,1,0.412,87,529,438.426,3.276,5,0.371,0.71,1.0,0.7629788910972517,0.7912326091426222,0.6216674662463162,0.6058100884106641,0.6954222637242136
EOS-2-15190,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c1-c1ccc(F)cc1,IDOWUJCCMXQQMC-UHFFFAOYSA-N,2,1,0.378,9,340,438.426,4.048,6,0.409,0.65,1.0,0.20798780069906106,0.3066016722637242,0.5451134260845727,0.5876482077993284,0.4118377767116716
EOS-2-15191,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)c(F)c2)n[nH]1,ALHKXRCZNGNLLR-UHFFFAOYSA-N,2,1,0.325,9,340,438.426,4.346,6,0.436,0.68,1.0,0.29746933040915635,0.4354139538071414,0.6539990405044205,0.6355972859982181,0.5056199026797341
EOS-2-15192,Cc1cc(-n2cc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)cn2)ccn1,PLLBQAOMEGXVRK-UHFFFAOYSA-N,2,1,0.343,42,673,438.426,4.142,6,0.408,0.73,1.0,0.012619080254951683,0.11180693578233157,0.5182818175587691,0.5295044890686039,0.2930530806661641
EOS-2-15193,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)cc1F,RKKPCQWRGYBJTM-UHFFFAOYSA-N,2,1,0.333,25,508,438.426,4.048,6,0.409,0.76,1.0,0.29482215064080597,0.30148721814817353,0.5451219930093893,0.6237320951271331,0.44129086423137553
EOS-2-15194,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncon6)c5)n34)cc2F)cn1,WEDZHZNHAGCQPG-UHFFFAOYSA-N,2,1,0.367,42,867,438.426,4.048,6,0.409,0.73,1.0,0.26495785072990197,0.2807638270166541,0.6705674730998561,0.6527140017819204,0.46725078815708315
EOS-2-15195,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccon6)c(F)c5)n34)cc2)nn1,JUJJZYYDKVQENZ-UHFFFAOYSA-N,2,1,0.333,9,764,438.426,4.048,6,0.409,0.72,1.0,0.202316496470427,0.23449386608183126,0.6331128778013844,0.6384158042629018,0.42708476115413607
EOS-2-15196,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cc5)n34)c(F)c2)o1,DQZQWKPRIOPIEC-UHFFFAOYSA-N,2,1,0.329,9,598,438.426,4.346,6,0.436,0.76,1.0,0.27032074566513603,0.39840483859913645,0.5519069974641903,0.5460986224384895,0.44168280104173807
EOS-2-15197,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cc5F)n34)cn2)cn1,WQHUXQJONPCVQL-UHFFFAOYSA-N,2,1,0.323,42,693,438.426,4.048,6,0.409,0.68,1.0,0.20799636762387774,0.26010040435885134,0.6272359673771503,0.5846583510383113,0.4199977725995476
EOS-2-15198,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2)cn1,IFWKBFBZIBTOKA-UHFFFAOYSA-N,2,1,0.338,9,340,438.426,4.048,6,0.409,0.67,1.0,0.2864008635460215,0.3309831402919608,0.702933315057227,0.6699849222123226,0.497575560276883
EOS-2-15199,N#Cc1ccc(-c2ccncc2-c2nnc3cncc(OCCc4cnccc4F)n23)cn1,BWRMRLGQFQNYCG-UHFFFAOYSA-N,2,1,0.533,35,657,438.426,3.276,5,0.397,0.63,1.0,0.8453927078335961,0.8540024672743473,0.707884997601261,0.6789202247961071,0.7715500993763279
EOS-2-15200,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)c(F)c4)n23)nc1,SMBBDXVEZBOCSZ-UHFFFAOYSA-N,2,1,0.333,42,106,438.426,4.048,6,0.409,0.71,1.0,0.3794719347543006,0.3459324240970461,0.5876225070248784,0.5623672126653416,0.4688485196353917
EOS-2-15201,Cc1nc(-c2ccccc2F)cc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)n1,VBSFXPACFRLHIN-UHFFFAOYSA-N,2,1,0.5,44,500,438.426,3.542,5,0.409,0.77,1.0,0.7389401000616819,0.642639298197519,0.5973631005414296,0.5656397779453087,0.6361455691864848
EOS-2-15202,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)c(F)c1,TWMTUICBZMNBGZ-UHFFFAOYSA-N,2,1,0.329,42,314,438.426,4.048,6,0.409,0.72,1.0,0.2542149270098006,0.30661023918854086,0.555419436639024,0.5816513604276609,0.4244739908162566
EOS-2-15203,N#Cc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)nn3)n12,UXMFKNHOPPPSPU-UHFFFAOYSA-N,2,1,0.489,19,54,438.426,3.276,5,0.371,0.68,0.98,0.8524004523336303,0.8188866424508259,0.6245802206839832,0.6209992461106162,0.7292166403947639
EOS-2-15204,Cc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccc(C#N)nc1,DDGKFUVGKRPWJI-UHFFFAOYSA-N,2,1,0.446,4,122,438.426,3.542,5,0.409,0.69,0.999,0.6477366184634363,0.6334041532451511,0.6331214447262011,0.5656483448701254,0.6199776403262285
EOS-2-15205,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cn6)c5)n34)cc2)o1,UCCMHJLGHNBOSR-UHFFFAOYSA-N,2,1,0.343,42,150,438.426,4.142,6,0.408,0.7,1.0,0.06976046878212597,0.2654204646700021,0.5652542663285587,0.5295130559934206,0.3574870639435268
EOS-2-15206,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncccc5F)n34)cn2)cc1C#N,APNPYIGUMFAUBZ-UHFFFAOYSA-N,2,1,0.462,4,205,438.426,3.542,5,0.409,0.7,1.0,0.6844373243780413,0.765574669316702,0.6426050304982523,0.5816599273524775,0.6685692378863684
EOS-2-15207,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)cc6)o5)n34)cc2)cn1,BEPWPNTVXMFCIT-UHFFFAOYSA-N,2,1,0.395,3,641,438.426,4.048,6,0.409,0.76,1.0,0.22433349324926324,0.3984134055239531,0.5519155643890069,0.5720392707833596,0.4366754334863957
EOS-2-15208,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cc1F,IKBYFJCJTHDJJN-UHFFFAOYSA-N,2,1,0.517,54,411,438.426,3.276,5,0.397,0.75,1.0,0.8678466177780824,0.8074754985950243,0.6733345898156398,0.6555753546706874,0.7510580152148585
EOS-2-15209,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cc2)o1,HJOWZPOXYRQYST-UHFFFAOYSA-N,2,1,0.317,9,834,438.426,4.346,6,0.436,0.68,1.0,0.34259989034336236,0.4439551778493592,0.6540076074292372,0.6121924473990816,0.5131887807552601
EOS-2-15210,Cc1ocnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)n4)n23)cc1,UQKYXWUZSGEMRV-UHFFFAOYSA-N,2,1,0.318,3,783,438.426,4.142,6,0.408,0.72,1.0,0.0820197381947776,0.2706805565074361,0.4519652525529436,0.4717291481049962,0.3190986738400384
EOS-2-15211,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cc2)o1,HZQLRPHTCHCZEN-UHFFFAOYSA-N,2,1,0.299,3,783,438.426,4.142,6,0.408,0.7,1.0,0.058623466520457815,0.26542903159481873,0.5247926804194366,0.5431344664519224,0.3479949112466589
EOS-2-15212,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)o1,NYNOJZWDXXVTSX-UHFFFAOYSA-N,2,1,0.303,76,392,438.426,4.048,6,0.383,0.72,0.998,0.21595504077856212,0.2758892467959701,0.514700842985402,0.48676410115824825,0.3733273079295456
EOS-2-15213,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)nc6)c5)n34)cc2)o1,DIUVMVSLJRDEPN-UHFFFAOYSA-N,2,1,0.311,42,150,438.426,4.142,6,0.381,0.76,1.0,0.03683777671167158,0.22971352203413062,0.6272445343019669,0.5720478377081762,0.36646091768898637
EOS-2-15214,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6)nn5)n34)cc2)o1,GHCGJCLTUDWNFD-UHFFFAOYSA-N,2,1,0.315,3,783,438.426,4.142,6,0.408,0.72,1.0,0.06404632992940854,0.2297220889589473,0.5519241313138236,0.5623757795901583,0.3520170824480844
EOS-2-15215,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nc4)n23)cn1,JNSGVIRUKCLHQK-UHFFFAOYSA-N,2,1,0.523,27,69,438.423,3.616,5,0.396,0.67,1.0,0.5054228634089507,0.49239257076279896,0.6037368926050305,0.5059625796724008,0.5268787266122952
EOS-2-15216,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cccnc5F)n34)cnc2F)s1,JEELTMYCDPAYKN-UHFFFAOYSA-N,2,1,0.424,55,875,438.423,3.265,5,0.385,0.65,1.0,0.6245202522102666,0.5616133232814748,0.3228188609416764,0.32243334932492634,0.45784644643958605
EOS-2-15217,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccn2)s1,IKHQIGMPNWOVLP-UHFFFAOYSA-N,2,1,0.461,55,564,438.423,3.265,5,0.412,0.64,1.0,0.6661983414433555,0.515317661572202,0.37523130697005,0.3773130697005003,0.48351509492152694
EOS-2-15218,FC(F)c1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnc5)s4)n23)cn1,JFCYVZCCSXOTHT-UHFFFAOYSA-N,2,1,0.489,27,69,438.423,3.616,5,0.396,0.65,1.0,0.5179391405661024,0.5809745733671441,0.3752398738948667,0.3447930230964293,0.4547366527311356
EOS-2-15219,Cc1ncc(-c2ncc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cn2)s1,COSIQJPIVYCKBA-UHFFFAOYSA-N,2,1,0.512,2,85,438.423,3.265,5,0.385,0.72,1.0,0.7024364334178603,0.5862774998286615,0.3637944623397985,0.32865293674182716,0.49529033308203685
EOS-2-15220,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)cn1,MLIBWSSVDSBJTD-UHFFFAOYSA-N,2,1,0.518,27,69,438.423,3.616,5,0.396,0.65,1.0,0.4168665615790556,0.4791395380714139,0.612646494414365,0.5127989856761017,0.505362894935234
EOS-2-15221,FC(F)c1ccc(-c2nnc3cncc(OCc4csc(-c5cnccn5)n4)n23)cn1,KAJSHHAQPGTQDI-UHFFFAOYSA-N,2,1,0.489,7,69,438.423,3.616,5,0.396,0.64,1.0,0.5079843739291344,0.6147368240696319,0.4336577342197245,0.35756630799808103,0.478486310054143
EOS-2-15222,FC(F)c1ccc(-c2nnc3cncc(OCc4csc(-c5ncccn5)n4)n23)cn1,YEBCWBMPEQYYIL-UHFFFAOYSA-N,2,1,0.5,27,69,438.423,3.616,5,0.396,0.64,0.995,0.5204835172366528,0.6479679254334864,0.34473305462271264,0.2883455554794051,0.4503825131930642
EOS-2-15223,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)s4)n23)cn1,AAZVPPRFMZDFFQ-UHFFFAOYSA-N,2,1,0.494,27,69,438.423,3.616,5,0.396,0.65,1.0,0.5204920841614694,0.6098965115482147,0.4447519018573093,0.38659104927695154,0.4904328867109863
EOS-2-15224,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncs5)n4)n23)nc1,IPVMTYDVALPWST-UHFFFAOYSA-N,2,1,0.461,7,535,438.423,3.616,5,0.396,0.65,1.0,0.48801487218148176,0.5063909259132342,0.5519326982386402,0.492726680830649,0.5097662942910013
EOS-2-15225,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5F)n34)cc2)o1,OTYYLRWNTCOHKE-UHFFFAOYSA-N,2,1,0.342,69,30,438.422,5.216,6,0.372,0.74,1.0,0.42634158042629017,0.4924011376876157,0.8128469604550751,0.765497566993352,0.6242718113905833
EOS-2-15226,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnn(C)n6)nc5)n34)nn2)n1,RIPZGNNCEXETDQ-UHFFFAOYSA-N,2,1,0.286,99,14,438.419,0.629,6,0.38,0.7,0.343,0.04706668494277294,0.038525460900555135,0.009158042629017888,0.0057484065519841,0.025124648756082515
EOS-2-15227,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3cnc(-c4c[nH]nn4)nc3)n12,MZXNRNWCFNCUGH-UHFFFAOYSA-N,2,1,0.297,50,261,438.415,1.827,6,0.406,0.64,1.0,0.18848947981632513,0.08632033445274484,0.10521040367349736,0.0802892193818107,0.11507735933109452
EOS-2-15228,c1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)n[nH]1,NKAJLWTWJVZOMV-UHFFFAOYSA-N,2,1,0.408,56,425,438.415,1.73,6,0.392,0.6,1.0,0.45183674868069357,0.3747601261051333,0.11033342471386472,0.09908505242957988,0.25900383798231785
EOS-2-15229,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nnn(C)n6)nc5)n34)c2)o1,UEXUZRYRKCXFSN-UHFFFAOYSA-N,2,1,0.287,99,286,438.415,1.797,6,0.396,0.65,1.0,0.10868000822424782,0.07592865465012678,0.024587074223836613,0.020183674868069358,0.05734485299157014
EOS-2-15230,c1cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc(-c2nn[nH]n2)c1,VSQUPZCBCYMPMC-UHFFFAOYSA-N,2,1,0.571,67,499,438.415,1.73,6,0.392,0.71,1.0,0.7056061956000275,0.5522068398327736,0.17680419436639025,0.16695223082722227,0.4003923651566034
EOS-2-15231,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)nc5)n34)nc2)c1,CGUTZUUFPVLHIO-UHFFFAOYSA-N,2,1,0.434,6,547,438.415,1.526,6,0.405,0.7,1.0,0.23821191145226508,0.1953087519703927,0.09053526146254541,0.07493489137139332,0.14974770406414914
EOS-2-15232,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)cn5)n34)cn2)o1,MFOOYARQMVKEHZ-UHFFFAOYSA-N,2,1,0.313,86,286,438.415,1.797,6,0.396,0.7,1.0,0.10102974436296347,0.08285929682681105,0.02153724898910287,0.017142416558152285,0.055642176684257416
EOS-2-15233,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)nc5)n34)cc2)n1,FUJSXLYETLPCLB-UHFFFAOYSA-N,2,1,0.303,98,882,438.415,1.797,6,0.396,0.68,1.0,0.1768213282160236,0.10859433897608115,0.015703173188952094,0.011830923171818244,0.07823744088821877
EOS-2-15234,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)nn5)n34)cn2)no1,WYQGDDQFEGULBN-UHFFFAOYSA-N,2,1,0.313,99,14,438.415,1.797,6,0.396,0.75,0.699,0.10614419847851415,0.09578678637516277,0.019849564800219315,0.015386196970735384,0.05929168665615791
EOS-2-15235,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)c1,HMXDYRQHTAQPJD-UHFFFAOYSA-N,2,1,0.457,71,415,438.415,1.526,6,0.405,0.63,1.0,0.30002227400452336,0.23450243300664794,0.0807946679459941,0.07293023096429306,0.1720624014803646
EOS-2-15236,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cn1,OVKGWTVULCBLPP-UHFFFAOYSA-N,2,1,0.425,67,622,438.411,2.824,6,0.395,0.68,1.0,0.4263501473511068,0.27068912343225277,0.15434171749708725,0.13236755534233433,0.2459371359056953
EOS-2-15237,c1c[nH]c(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cnoc6)cn5)n34)cn2)n1,OREYCKKZSFFGPP-UHFFFAOYSA-N,2,1,0.383,80,855,438.411,2.6,6,0.412,0.64,1.0,0.4238143376053732,0.3554931121924474,0.1768127612912069,0.1389469536015352,0.2737667911726407
EOS-2-15238,c1cnnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)no2)c1,OYBAJQIZORFZGA-UHFFFAOYSA-N,2,1,0.392,81,763,438.411,2.6,6,0.412,0.57,1.0,0.5054314303337674,0.4078884243711877,0.09496436159276266,0.1033085463641971,0.2778981906654787
EOS-2-15239,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2)n[nH]1,ISEISPGPXREJIL-UHFFFAOYSA-N,2,1,0.5,56,425,438.411,2.6,6,0.412,0.59,1.0,0.4350455760400247,0.3603077239394147,0.21732574874922897,0.16972791446782262,0.2956017407991227
EOS-2-15240,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncon6)nc5)n34)cc2)n[nH]1,ZBOQYSLNUREMPS-UHFFFAOYSA-N,2,1,0.471,56,8,438.411,2.6,6,0.412,0.57,1.0,0.6995236789801933,0.43542252073195803,0.1482335001028031,0.13659104927695154,0.35494268727297645
EOS-2-15241,c1coc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6cnccn6)n5)n34)nc2)c1,RNINQLHMKRAJCN-UHFFFAOYSA-N,2,1,0.385,80,34,438.411,2.396,6,0.381,0.65,1.0,0.12762147899390036,0.10192927146871358,0.08327907614282777,0.08378452470701117,0.09915358782811323
EOS-2-15242,c1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)o2)c1,MKSYDZKXYUMTLZ-UHFFFAOYSA-N,2,1,0.468,56,425,438.411,2.6,6,0.412,0.58,1.0,0.4494123089575766,0.3889640874511685,0.1543502844219039,0.130028784867384,0.2806888664245083
EOS-2-15243,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1,WLAQSIRHHZLZLN-UHFFFAOYSA-N,2,1,0.385,67,622,438.411,2.824,6,0.395,0.66,1.0,0.41458775957782196,0.2345109999314646,0.1670978685491056,0.13237612226715098,0.23714318758138578
EOS-2-15244,c1ncc(-c2noc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cn1,SIXAFOFQWNFJQC-UHFFFAOYSA-N,2,1,0.41,56,425,438.411,2.6,6,0.412,0.6,1.0,0.4376756219587417,0.44845281337810977,0.13616270303611816,0.13238468919196766,0.2886689568912343
EOS-2-15245,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)cc2)n1,IMADLLMRZOPANV-UHFFFAOYSA-N,2,1,0.432,67,622,438.411,2.824,6,0.395,0.64,1.0,0.3841237749297512,0.2862466588993215,0.1543588513467206,0.11916592419984923,0.23597380234391063
EOS-2-15246,Cn1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6cnno6)cc5)n34)cn2)cn1,YJBSCYQWYVBAMP-UHFFFAOYSA-N,2,1,0.407,56,197,438.411,2.824,6,0.395,0.7,1.0,0.3180984853676924,0.23451956685628128,0.2753837982317867,0.20597457336714414,0.25849410595572614
EOS-2-15247,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6conn6)cn5)n34)cc2)n[nH]1,XIQRWDFIOQVQHW-UHFFFAOYSA-N,2,1,0.427,71,117,438.411,2.6,6,0.412,0.53,1.0,0.4444606264135426,0.3358577205126448,0.21071208279076142,0.19172777739702557,0.2956895517784936
EOS-2-15248,c1cc(-c2ncon2)nc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n1,RJSUJFAPJIVNRP-UHFFFAOYSA-N,2,1,0.4,56,428,438.411,2.6,6,0.412,0.51,1.0,0.5680470838187924,0.41732917551915566,0.12201014323898293,0.11692995682269892,0.30607908984990745
EOS-2-15249,COc1ncc(-c2nnco2)cc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,PTTHRBCTOXFWCD-UHFFFAOYSA-N,2,1,0.304,98,7,438.411,2.697,6,0.426,0.65,1.0,0.3103625522582414,0.16935096977588926,0.1865019532588582,0.1344407511479679,0.2001640566102392
EOS-2-15250,NCc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)o1,WFZCSCYIIUCBPF-UHFFFAOYSA-N,2,1,0.286,9,424,438.411,2.412,6,0.421,0.67,1.0,0.10103831128778014,0.029607292166403947,0.102434720032897,0.1169385237475156,0.08750471180864916
EOS-2-15251,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)cn5)n34)cc2)n[nH]1,LFBTVTQYMDEMTL-UHFFFAOYSA-N,2,1,0.517,56,425,438.411,2.6,6,0.412,0.62,1.0,0.49527962442601603,0.36990267973408264,0.2001319306421767,0.1591134946199712,0.30610693235556163
EOS-2-15252,c1cnc(-c2n[nH]c(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)nc1,MHQDNMSDUOEFNS-UHFFFAOYSA-N,2,1,0.404,40,425,438.411,2.6,6,0.412,0.51,1.0,0.45406414913302723,0.38400383798231785,0.06567404564457542,0.061047906243574805,0.24119748475087385
EOS-2-15253,c1ccc(-c2nnco2)c(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1,NUIJZDOXLDEDQZ-UHFFFAOYSA-N,2,1,0.489,67,755,438.411,2.6,6,0.412,0.69,1.0,0.6021520115139469,0.452676307312727,0.2390857377835652,0.22036700705914605,0.3785702659173463
EOS-2-15254,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)cn5)n34)cn2)n[nH]1,CCIQMMCTXAGXDS-UHFFFAOYSA-N,2,1,0.434,6,843,438.411,2.6,6,0.412,0.53,1.0,0.4056867246933041,0.3218250976629429,0.22812007401823042,0.18903776300459188,0.2861674148447673
EOS-2-15255,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)cn5)n34)cc2)n[nH]1,GFTUFSPWGKNCOT-UHFFFAOYSA-N,2,1,0.5,56,425,438.411,2.6,6,0.412,0.62,1.0,0.38168220135700087,0.3014957850729902,0.25345247070111715,0.2059831402919608,0.2856533993557672
EOS-2-15256,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)nn5)n34)cc2)n[nH]1,CWWBJWVTWWAKLX-UHFFFAOYSA-N,2,1,0.473,81,425,438.411,2.6,6,0.412,0.61,1.0,0.4540727160578439,0.3889726543759852,0.17019909533273936,0.1436844630251525,0.28923223219793026
EOS-2-15257,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnoc6)cn5)n34)cn2)n[nH]1,IOGNSJQWGIVFOV-UHFFFAOYSA-N,2,1,0.473,80,584,438.411,2.6,6,0.412,0.58,1.0,0.4145963265026386,0.35550167911726405,0.22812864094304708,0.1835206634226578,0.2954368274964019
EOS-2-15258,c1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cocn6)cn5)n34)cc2)n[nH]1,IJPDEJHMHYLDMO-UHFFFAOYSA-N,2,1,0.473,56,425,438.411,2.6,6,0.412,0.63,1.0,0.4657151668836954,0.3840124049071345,0.18651052018367487,0.14859331094510314,0.296207850729902
EOS-2-15259,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cc2)n[nH]1,PNPRYTWZDYFHAJ-UHFFFAOYSA-N,2,1,0.541,56,425,438.411,2.6,6,0.412,0.64,1.0,0.5992135563018299,0.3699112466588993,0.20014049756699334,0.16184634363648825,0.3327779110410527
EOS-2-15260,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)no2)nc1,KHSKYVYRDZZIQR-UHFFFAOYSA-N,2,1,0.424,56,425,438.411,2.6,6,0.412,0.61,1.0,0.4680025358097457,0.37476869302995,0.07859296826811048,0.07494345829620999,0.24907691385100403
EOS-2-15261,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)no1,ULECNYDHCJHBDF-UHFFFAOYSA-N,2,1,0.357,6,318,438.411,2.824,6,0.395,0.66,1.0,0.28924508258515524,0.19992632444657665,0.11310910835446508,0.10742067027619766,0.17742529641559865
EOS-2-15262,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5cnc(C#N)nc5)n34)c2)cc1=O,PCLWCUFIGDUOKG-UHFFFAOYSA-N,2,1,0.354,92,711,438.411,1.188,5,0.391,0.64,1.0,0.3306575971489274,0.10860290590089781,0.170207662257556,0.12585669248166678,0.183831214447262
EOS-2-15263,Cn1cncc1-c1ccnc(-c2nnc3cncc(Oc4ccc(-c5nnco5)nc4)n23)c1,VODREXYOONZATK-UHFFFAOYSA-N,2,1,0.323,6,843,438.411,2.824,6,0.395,0.55,0.94,0.30254951682544035,0.1247601261051333,0.18976595161400864,0.14632307586868618,0.19084966760331712
EOS-2-15264,c1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)nc2)o1,IKQVXBMYVQHMQU-UHFFFAOYSA-N,2,1,0.495,81,117,438.411,2.6,6,0.412,0.56,1.0,0.3701425536289494,0.33586628743746144,0.25669933520663424,0.21501267904872867,0.29443021383044343
EOS-2-15265,Cn1nc(-c2cnco2)cc1Oc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,XGUTWIRAVRJBPP-UHFFFAOYSA-N,2,1,0.356,80,34,438.411,2.824,6,0.395,0.63,1.0,0.33307346994722775,0.17814063463779042,0.11618463436364883,0.08206257281886094,0.17736532794188198
EOS-2-15266,c1coc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)c1,KOZPOEDHIMTTHI-UHFFFAOYSA-N,2,1,0.447,56,425,438.411,2.6,6,0.412,0.69,1.0,0.45633438420944417,0.30150435199780684,0.18319512027962442,0.16696079775203893,0.2769986635597286
EOS-2-15267,c1cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc(-c2nnco2)c1,JVFTYXJYQNSULU-UHFFFAOYSA-N,2,1,0.506,77,245,438.411,2.6,6,0.412,0.7,1.0,0.6021605784387636,0.45710540744294426,0.27893907203070384,0.24391748338016586,0.39553063532314436
EOS-2-15268,Cn1nc(-c2nnco2)cc1Oc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,BQANLHNEJVKZJB-UHFFFAOYSA-N,2,1,0.375,67,622,438.411,2.824,6,0.395,0.65,1.0,0.3816907682818176,0.24525392365156604,0.13617126996093482,0.12152182852443287,0.2211594476046878
EOS-2-15269,c1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)o2)cc1,FYOMWEGAMZFJAH-UHFFFAOYSA-N,2,1,0.462,67,937,438.411,2.6,6,0.412,0.67,1.0,0.48300322116373107,0.4659036392296621,0.11034199163868137,0.1191744911246659,0.29460583578918514
EOS-2-15270,c1cc(COc2cncc3nnc(-c4ccc(-c5ncco5)cn4)n23)cc(-c2nn[nH]n2)c1,FHTQQPYJPAWRQO-UHFFFAOYSA-N,2,1,0.421,6,826,438.411,2.6,6,0.412,0.73,1.0,0.4584846823384278,0.3358748543622781,0.20014906449181002,0.17246933040915632,0.29174448290041805
EOS-2-15271,c1cc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)nc(-c2nnco2)c1,FVJBFCUNMDPYAK-UHFFFAOYSA-N,2,1,0.458,81,609,438.411,2.6,6,0.412,0.53,0.998,0.38169933520663424,0.32625419779316017,0.19317558769104243,0.1697364813926393,0.267716400520869
EOS-2-15272,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5n[nH]c(=O)o5)cc4)n23)cn1,SKCNIKDNASLZHL-UHFFFAOYSA-N,2,1,0.276,98,642,438.411,1.992,6,0.436,0.56,1.0,0.23254917414844767,0.12113631690768281,0.11311767527928175,0.10975944075114796,0.14414065177164004
EOS-2-15273,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)o2)nc1,KXGSUQTYQPEVIM-UHFFFAOYSA-N,2,1,0.528,81,117,438.407,3.47,6,0.381,0.69,1.0,0.4804759783428141,0.35551024604208076,0.2390943047083819,0.20301041738057707,0.3195227366184634
EOS-2-15274,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnco6)no5)n34)cc2)c1,SLQUAFQIRDFJGK-UHFFFAOYSA-N,2,1,0.489,40,2,438.407,3.47,6,0.381,0.69,1.0,0.5104516482763347,0.3407237338085121,0.29344287574532246,0.2854156671921047,0.3575084812555685
EOS-2-15275,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnco6)no5)n34)cc2)nc1,VTEBIJUCXWTDDW-UHFFFAOYSA-N,2,1,0.483,81,49,438.407,3.47,6,0.381,0.71,1.0,0.5310379686107874,0.33099170721677745,0.24261531080803234,0.2351278185182647,0.33494320128846544
EOS-2-15276,c1cncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)no2)c1,SFQDXGZDCWCOGU-UHFFFAOYSA-N,2,1,0.443,40,518,438.407,3.47,6,0.381,0.74,1.0,0.45408128298266054,0.364942430265232,0.22813720786786376,0.2120228222877116,0.314795935850867
EOS-2-15277,c1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)co1,RVNFFJMCQUKZCD-UHFFFAOYSA-N,2,1,0.483,81,117,438.407,3.47,6,0.381,0.66,1.0,0.4657237338085121,0.369919813583716,0.3116647248303749,0.26800767596463576,0.35382898704680965
EOS-2-15278,c1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)co1,UHVNXGQMQPOYRR-UHFFFAOYSA-N,2,1,0.446,40,350,438.407,3.47,6,0.381,0.69,1.0,0.4731769583990131,0.36495099719004864,0.3192721540675759,0.2734733739976698,0.35771837091357683
EOS-2-15279,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6nnco6)no5)n34)cc2)cc1,YNRZEPHDPJCAFV-UHFFFAOYSA-N,2,1,0.482,12,285,438.407,3.47,6,0.381,0.72,1.0,0.3885443081351518,0.34594099102186276,0.1271845658282503,0.17787505996847372,0.25988623123843463
EOS-2-15280,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnco4)nc3)n12,HAZWLEZTQDEDAT-UHFFFAOYSA-N,2,1,0.313,42,339,438.407,3.567,6,0.394,0.7,0.997,0.3495990679185799,0.1177609485299157,0.389983551504352,0.29126687684188884,0.2871526111986841
EOS-2-15281,c1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnco6)nc5)n34)nc2)no1,UUFGIHNCZBPPFB-UHFFFAOYSA-N,2,1,0.538,28,667,438.407,3.47,6,0.381,0.66,1.0,0.4215869371530395,0.30661880611335757,0.3488194777602632,0.2765574669316702,0.3383956719895826
EOS-2-15282,c1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cc1,FHBRRTDSDOEAMV-UHFFFAOYSA-N,2,1,0.47,77,857,438.407,3.47,6,0.381,0.72,1.0,0.47563566582139677,0.36495956411486535,0.17368583373312316,0.172477897333973,0.2966897402508396
EOS-2-15283,c1cc(COc2cncc3nnc(-c4ccc(-c5ncco5)cn4)n23)cc(-c2nnco2)c1,NLQJUFFARSNKRA-UHFFFAOYSA-N,2,1,0.435,28,177,438.407,3.47,6,0.381,0.71,1.0,0.4631707902131451,0.260108971283668,0.3079638133095744,0.25272428209170034,0.320991964224522
EOS-2-15284,c1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccon6)n5)n34)cc2)nc1,GMGHQKVHLOKAJR-UHFFFAOYSA-N,2,1,0.451,28,59,438.407,3.47,6,0.381,0.83,1.0,0.43505414296484135,0.3505414296484134,0.14824206702761977,0.1591220615447879,0.2732399252964156
EOS-2-15285,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)nn5)n34)cc2)co1,CKERUPQYLNSBEF-UHFFFAOYSA-N,2,1,0.512,81,120,438.407,3.47,6,0.381,0.63,1.0,0.4540898499074772,0.3840209718319512,0.2972294565142896,0.26190802549516823,0.3493120759372216
EOS-2-15286,c1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)no1,VDUDAABDMQGZKM-UHFFFAOYSA-N,2,1,0.538,77,245,438.407,3.47,6,0.381,0.7,1.0,0.7056147625248441,0.41264306764443837,0.4009834829689535,0.3286615036666438,0.4619757042012199
EOS-2-15287,c1ncc(-c2ncoc2COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cn1,BHFCGSUUENCDDN-UHFFFAOYSA-N,2,1,0.477,40,78,438.407,3.47,6,0.381,0.62,1.0,0.6021691453635802,0.4078969912960044,0.352563223905147,0.297503598108423,0.41503323966828864
EOS-2-15288,c1cnnc(-c2ncoc2COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,ZWLIBFOPVZASNK-UHFFFAOYSA-N,2,1,0.461,40,2,438.407,3.47,6,0.381,0.63,1.0,0.584795421835378,0.4032365841957371,0.2639640874511685,0.24392605030498252,0.3739805359468166
EOS-2-15289,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccno4)nc3)n12,HTQKJVQLXJBQNT-UHFFFAOYSA-N,2,1,0.313,42,339,438.407,3.567,6,0.394,0.72,0.997,0.34499862929202935,0.11477109176889863,0.3752484408196834,0.28835412240422176,0.2808430710712083
EOS-2-15290,c1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc(-c2nnco2)c1,VUKJZYMDELCIFR-UHFFFAOYSA-N,2,1,0.571,77,323,438.407,3.47,6,0.381,0.67,1.0,0.6565776848742375,0.49240970461243233,0.40099204989377013,0.33203687204441096,0.47050407785621273
EOS-2-15291,c1coc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)nc5)n34)cc2)c1,GTNNWBAINONHNX-UHFFFAOYSA-N,2,1,0.471,40,2,438.407,3.47,6,0.381,0.67,1.0,0.6162960043862655,0.40790555822082103,0.24609348228359948,0.23223219793023098,0.3756318107052292
EOS-2-15292,OCc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)o1,SRNFFKOCBSIPQT-UHFFFAOYSA-N,2,1,0.315,38,818,438.407,3.051,6,0.427,0.76,1.0,0.21076348433966144,0.17814920156260708,0.2534610376259338,0.2466160646974162,0.22224744705640465
EOS-2-15293,COc1cc(-c2nnc3cncc(OCCC(F)(F)F)n23)ccc1-c1ccc(F)s1,VUUMLKKACLIHOS-UHFFFAOYSA-N,2,1,0.494,68,947,438.406,4.999,4,0.397,0.73,1.0,0.9648327736275787,0.9262730450277569,0.9689020629154959,0.92503084092934,0.9462596806250428
EOS-2-15294,N#Cc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc([N+](=O)[O-])cc5)n34)cc2)o1,PPSODMUEGJOSQG-UHFFFAOYSA-N,2,1,0.547,1,230,438.403,4.41,5,0.281,0.81,1.0,0.8821619491467343,0.4439637447741759,0.7558255088753341,0.5161914879035021,0.6495356726749366
EOS-2-15295,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnn(C(F)F)c4)n23)nn1,JZCWWGBXTBXRNI-UHFFFAOYSA-N,2,1,0.398,53,44,438.402,2.195,5,0.38,0.62,0.459,0.40569529161812073,0.29663833870193956,0.27539236515660337,0.20878452470701117,0.2966276300459187
EOS-2-15296,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cn(C(F)F)nn5)n34)cn2)cn1,PZXRLQVQLGWMTP-UHFFFAOYSA-N,2,1,0.458,92,468,438.402,2.195,5,0.38,0.63,1.0,0.2780481118497704,0.3984219724487698,0.24976869302994997,0.19173634432184222,0.2794937804125831
EOS-2-15297,Cn1cncc1CCOc1cncc2nnc(-c3ccc(-c4nnn(C(F)F)n4)cc3)n12,QRLNOAMMKNSVCC-UHFFFAOYSA-N,2,1,0.523,36,447,438.402,2.195,5,0.38,0.61,1.0,0.5205006510862861,0.48792920293331504,0.14825063395243643,0.10742923720101433,0.316027431293263
EOS-2-15298,Cn1nnnc1CCOc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)c4)cc3)n12,KULDRHBHIUXHIW-UHFFFAOYSA-N,2,1,0.506,36,519,438.402,2.195,5,0.38,0.68,1.0,0.47318552532382974,0.5335652114317044,0.1702162291823727,0.18606504009320815,0.3407580015077788
EOS-2-15299,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc6cncc(F)c6n5)n34)cc2)c1,QOSWKISOHKLKLV-UHFFFAOYSA-N,2,1,0.375,3,550,438.401,4.137,6,0.41,0.77,1.0,0.3540196011239805,0.5063994928380509,0.6272531012267837,0.7750839558632033,0.5656890377630046
EOS-2-15300,Fc1ccc(-c2nnc3cncc(-c4cnc(-c5ncnc6ccccc56)nc4)n23)c(F)c1,GHQSIGYCYHIJSC-UHFFFAOYSA-N,2,1,0.357,10,693,438.401,4.137,6,0.41,0.78,1.0,0.3907545747378521,0.5809831402919607,0.6705760400246727,0.7524844081968337,0.5986995408128298
EOS-2-15301,Cn1cc(-c2cc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n(C)n2)cn1,PLZBPMCEILIFLR-UHFFFAOYSA-N,2,1,0.627,36,706,438.398,3.319,5,0.401,0.75,1.0,0.4952881913508327,0.5756973476800767,0.6896374477417586,0.552506682201357,0.5782824172435063
EOS-2-15302,CCn1cc(-c2cncc3nnc(-c4ccc(-c5nn(CC(F)F)c(=O)o5)cc4)n23)cn1,SAIPJBTVBSXPAP-UHFFFAOYSA-N,2,1,0.305,61,336,438.398,2.757,5,0.401,0.72,1.0,0.22718627921321363,0.28077239394147074,0.19656808991844288,0.1917449112466589,0.22406791857994654
EOS-2-15303,Cc1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n(C)n2)no1,AHSCHYRBIQCVPS-UHFFFAOYSA-N,2,1,0.472,36,51,438.398,3.4,5,0.397,0.7,0.993,0.5464927009800562,0.5427146871359056,0.2711603042971695,0.2680162428894524,0.40709598382564594
EOS-2-15304,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6nn[nH]n6)cn5)n34)nc2)nc1,WJVLYQBXVQWDLD-UHFFFAOYSA-N,2,1,0.284,86,652,438.39,2.025,6,0.433,0.68,0.861,0.20514358165992735,0.2758978137207868,0.14230518812966897,0.20301898430539372,0.20659139195394421
EOS-2-15305,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c(F)c2)cn1,BWZIPESUMFDVGH-UHFFFAOYSA-N,2,1,0.365,96,121,438.388,5.017,5,0.371,0.79,1.0,0.32282742786649304,0.5245613734493866,0.9946285381399493,0.9898310602426154,0.7079620999246111
EOS-2-15306,Cn1cc(-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(-c2ccc(F)c(F)c2)n1,CETCKKWRZRZDHT-UHFFFAOYSA-N,2,1,0.362,96,102,438.388,5.075,5,0.368,0.79,1.0,0.2752895620588034,0.5290932766774039,0.9783428140634638,0.9769378383935302,0.6899158727983004
EOS-2-15307,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cnc1-c1nnco1,GWLYFRDMUKJIFQ-UHFFFAOYSA-N,2,1,0.256,94,165,438.386,2.894,6,0.404,0.71,0.88,0.23255774107326435,0.2654375985196354,0.3155626756219587,0.34807415530121305,0.29040804262901787
EOS-2-15308,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)o2)cc1,OELWIDVQSGNMIL-UHFFFAOYSA-N,2,1,0.351,94,761,438.386,2.894,6,0.404,0.72,0.942,0.2703293125899527,0.3555188129668974,0.21733431567404565,0.28255431430333766,0.2814341888835583
EOS-2-15309,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,ULZNAIFJTDEFOM-UHFFFAOYSA-N,2,1,0.556,27,51,438.373,3.793,5,0.421,0.77,1.0,0.8027208553217737,0.7526386128435337,0.902851072578987,0.8134038105681585,0.8179035878281132
EOS-2-15310,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)nn2)n1,OUHUQNRUGLXKCB-UHFFFAOYSA-N,2,1,0.461,36,820,438.373,2.978,5,0.389,0.6,1.0,0.5760742923720101,0.6426478651223357,0.6841203481598246,0.6527225687067371,0.6388912685902268
EOS-2-15311,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(F)c1,KTDVFLOIAUQZBM-UHFFFAOYSA-N,2,1,0.455,36,374,438.373,3.851,5,0.411,0.75,1.0,0.587605373175245,0.7251987526557467,0.7985915975601399,0.7233654307449798,0.7086902885340279
EOS-2-15312,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nn4)n23)cc1,HQRCNLWZJZCOJT-UHFFFAOYSA-N,2,1,0.506,27,51,438.373,3.365,5,0.415,0.78,0.999,0.4607634843396614,0.5153262284970187,0.8911058186553354,0.8003306832979233,0.6668815536974847
EOS-2-15313,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)c2)n1,OMAAKKUJYUZOLN-UHFFFAOYSA-N,2,1,0.529,43,258,438.373,2.978,5,0.389,0.69,1.0,0.6844458913028579,0.7345109999314646,0.7182595435542458,0.7071825097662943,0.7110997361387157
EOS-2-15314,Fc1cncc(-n2cnnc2COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1,XHSFANCZRXEDCO-UHFFFAOYSA-N,2,1,0.472,27,51,438.373,3.423,5,0.401,0.66,1.0,0.6050476321019806,0.5476235350558564,0.7986001644849565,0.7843962031389212,0.6839168836954287
EOS-2-15315,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1F,BKQBERNFRZQOBX-UHFFFAOYSA-N,2,1,0.523,73,79,438.373,2.978,5,0.416,0.63,1.0,0.6692481666780893,0.6426564320471524,0.8064131999177575,0.7891422794873553,0.7268650195325885
EOS-2-15316,Cn1nc(-c2cncnc2)cc1Oc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,VMENQWXLHZDHLR-UHFFFAOYSA-N,2,1,0.494,27,51,438.373,3.793,5,0.421,0.74,1.0,0.6599359194023713,0.6334127201699677,0.9340346789116579,0.8434051812761291,0.7676971249400315
EOS-2-15317,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)c1,HIASVBMGCKXWCB-UHFFFAOYSA-N,2,1,0.467,61,917,438.373,3.389,5,0.415,0.76,1.0,0.3402439860187787,0.6334212870947844,0.7813635117538208,0.7982317867178398,0.6383151428963059
EOS-2-15318,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5cc(C(F)F)ccc5F)n34)nn2)cn1,LDQODLIKAPDZRA-UHFFFAOYSA-N,2,1,0.391,36,706,438.373,3.851,5,0.411,0.78,0.999,0.4830117880885477,0.5910407100267288,0.8582516619834144,0.7937341511890892,0.6815095778219451
EOS-2-15319,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)n5)cc4)n23)nc1,KMUICPQRUTUFCY-UHFFFAOYSA-N,2,1,0.541,4,22,438.373,3.558,5,0.4,0.64,1.0,0.6078318826673977,0.647976492358303,0.6762644781029402,0.602537523130697,0.6336525940648344
EOS-2-15320,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cc(-c5cc[nH]n5)ncn4)n23)c1F,LVANUMFYGVEMMT-UHFFFAOYSA-N,2,1,0.404,44,481,438.373,3.01,5,0.406,0.57,0.209,0.7210866287437462,0.5757059146048934,0.7235453361661298,0.7208981563977794,0.6853090089781373
EOS-2-15321,FC(F)(F)c1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)ccn1,HCLUMRKAASKETQ-UHFFFAOYSA-N,2,1,0.512,47,51,438.373,3.569,5,0.447,0.69,1.0,0.8896580083613186,0.7114574052498115,0.9213813309574396,0.7982403536426564,0.8301842745528065
EOS-2-15322,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2F)n1,VZGOADVRTGPFQA-UHFFFAOYSA-N,2,1,0.541,73,610,438.373,2.978,5,0.416,0.66,1.0,0.602177712288397,0.7068569666232609,0.7053748886299774,0.6759475018847234,0.6725892673565897
EOS-2-15323,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)nc1F,XCZWZDFMLSABDH-UHFFFAOYSA-N,2,1,0.482,46,16,438.373,2.978,5,0.389,0.6,0.996,0.49778116647248305,0.49748132410389967,0.6925245014049757,0.7017425125077102,0.5973823761222672
EOS-2-15324,Cn1nncc1-c1cnc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)c(F)c1,IVVMACYKWRSFJA-UHFFFAOYSA-N,2,1,0.44,46,79,438.373,2.978,5,0.416,0.6,0.992,0.4399544239599753,0.4659122061544788,0.7029418819820438,0.7209067233225961,0.5824288088547735
EOS-2-15325,Cn1nc(-c2ccc(F)cc2)nc1Oc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,YRNMXEYJMDGJLG-UHFFFAOYSA-N,2,1,0.439,27,706,438.373,3.851,5,0.411,0.68,1.0,0.5079929408539511,0.6003700911520801,0.6186690425604825,0.5720564046329929,0.5747721197998766
EOS-2-15326,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccccc5OC(F)(F)F)n34)nc2)n1,CIFVQRXIDZBLRQ-UHFFFAOYSA-N,2,1,0.42,50,121,438.373,3.547,5,0.423,0.74,0.826,0.2948307175656226,0.44397231169899254,0.8766277157151668,0.7844047700637379,0.5999588787608799
EOS-2-15327,Cn1ccc(-c2cc(F)c(-c3nnc4cncc(OCc5cncc(F)c5)n34)nc2F)n1,KOYBCFMJWFSVQD-UHFFFAOYSA-N,2,1,0.394,46,62,438.373,2.978,5,0.389,0.58,1.0,0.5848039887601947,0.46169727914467823,0.6245887876088,0.5996247686930299,0.5676787060516757
EOS-2-15328,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)cc1F,MSESDAJFGHTFND-UHFFFAOYSA-N,2,1,0.714,88,6,438.373,3.01,5,0.434,0.76,1.0,0.9685850866972792,0.9486155849496265,0.8128555273798918,0.8175073675553424,0.8868908916455349
EOS-2-15329,Cn1c(-c2ccc(F)cn2)nnc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,ZKCBGTYCQXGEFV-UHFFFAOYSA-N,2,1,0.5,22,311,438.373,3.389,5,0.415,0.79,1.0,0.35869714207388115,0.6530652456994037,0.6005928311973134,0.6613066273730381,0.5684154615859092
EOS-2-15330,Fc1cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1-c1nn[nH]n1,BSNDWZASDRRNEQ-UHFFFAOYSA-N,2,1,0.607,88,6,438.373,3.01,5,0.434,0.74,1.0,0.9442978548420259,0.9280978000137071,0.7986087314097732,0.8088633404153245,0.8699669316702077
EOS-2-15331,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)c4)n23)cc1,FDACYOVPHGONHN-UHFFFAOYSA-N,2,1,0.575,43,138,438.373,3.569,5,0.447,0.77,1.0,0.9233345898156398,0.7655832362415187,0.9533445274484271,0.9031166472483038,0.8863447501884723
EOS-2-15332,Fc1cccnc1COc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)c4)nc3)n12,NSMBPHDKGHWFNQ-UHFFFAOYSA-N,2,1,0.489,27,468,438.373,3.558,5,0.4,0.71,1.0,0.4518453156055102,0.5862860667534782,0.7675793297238024,0.690425604824892,0.6240340792269208
EOS-2-15333,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c(F)c1,YLSNNLCAEBTXMS-UHFFFAOYSA-N,2,1,0.61,91,499,438.373,3.01,5,0.434,0.64,1.0,0.9422503598108423,0.8744345829621,0.7813720786786376,0.7774484271126036,0.8438763621410459
EOS-2-15334,COc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)cc1,FCJJWVZCQGCIAA-UHFFFAOYSA-N,2,1,0.412,61,990,438.373,3.461,5,0.424,0.8,1.0,0.23822047837708177,0.4395946131176753,0.8854944829004181,0.7960557878144061,0.5898413405523953
EOS-2-15335,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)c1,OUHURHBMLDOPOX-UHFFFAOYSA-N,2,1,0.57,88,6,438.373,3.01,5,0.434,0.72,1.0,0.9343002535809746,0.934343088205058,0.7918237269549723,0.8134123774929751,0.8684698615584949
EOS-2-15336,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cn2)cn1,OKRUEBQALNZXAC-UHFFFAOYSA-N,2,1,0.507,50,845,438.373,3.547,5,0.423,0.69,1.0,0.3563155369748475,0.5105287505996847,0.9202162291823727,0.8434137482009458,0.6576185662394627
EOS-2-15337,COc1cc(F)ccc1Cn1nnc(-c2cncc3nnc(-c4ccc(F)cc4F)n23)n1,AUNZMPCYBJBSEI-UHFFFAOYSA-N,2,1,0.392,22,221,438.373,2.919,5,0.416,0.68,1.0,0.3794805016791173,0.5427232540607224,0.5314663148516209,0.6210078130354328,0.5186694709067233
EOS-2-15338,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccccc4OC(F)(F)F)n23)cn1,MAYJMKFRVXRRJZ-UHFFFAOYSA-N,2,1,0.415,61,121,438.373,3.547,5,0.423,0.77,0.999,0.297477897333973,0.43060790898499074,0.8441333698855459,0.7655061339181687,0.5844313275306696
EOS-2-15339,FC(F)(F)c1cccn1-c1ccc(COc2cncc3nnc(-c4cccnc4)n23)nn1,LMMYYKFVVJDJCU-UHFFFAOYSA-N,2,1,0.483,27,52,438.373,3.365,5,0.415,0.65,1.0,0.4563429511342608,0.5064080597628675,0.8614385580152149,0.7395911863477486,0.6409451888150229
EOS-2-15340,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,LYNXZOHFODGUTC-UHFFFAOYSA-N,2,1,0.636,61,941,438.373,3.793,5,0.421,0.81,1.0,0.6932955246384758,0.7205640463299294,0.905018504557604,0.8434223151257625,0.7905750976629429
EOS-2-15341,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)nc1,RSYCUPCSECHYGR-UHFFFAOYSA-N,2,1,0.5,27,468,438.373,3.558,5,0.4,0.73,1.0,0.42382290453018984,0.5957011171269961,0.7961585909122062,0.7155095606880953,0.6327980433143718
EOS-2-15342,Cn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,LSJZASGNWGVKQL-UHFFFAOYSA-N,2,1,0.5,34,446,438.373,2.978,5,0.416,0.68,1.0,0.5621359056952916,0.7114659721746281,0.3937101637996025,0.49889486669864985,0.541551727092043
EOS-2-15343,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nn2)cn1,XENIQOUVLQHRCK-UHFFFAOYSA-N,2,1,0.512,72,706,438.373,3.793,5,0.421,0.82,1.0,0.5936536220958125,0.6772068398327736,0.9354225207319581,0.845289904735796,0.7628932218490851
EOS-2-15344,Cn1cc(-c2nnc3cncc(OCc4cnc(F)nc4)n23)c(-c2ccc(F)c(F)c2)n1,MSWCBTSJNQATHU-UHFFFAOYSA-N,2,1,0.506,73,772,438.373,2.978,5,0.389,0.68,1.0,0.5360667534781715,0.46592077307929547,0.697724624768693,0.6728462751010897,0.5931396066068124
EOS-2-15345,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cn1,RYKYTUZGKXVZCL-UHFFFAOYSA-N,2,1,0.489,73,772,438.373,2.978,5,0.389,0.63,1.0,0.6134517853471317,0.6194657665684326,0.6896460146665753,0.6583681721609211,0.6452329346857653
EOS-2-15346,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)cn1,LFDBUQVJUDEULR-UHFFFAOYSA-N,2,1,0.461,27,468,438.373,3.793,5,0.421,0.73,1.0,0.5387482009457885,0.6381330957439517,0.9108440134329381,0.7655147008429855,0.713310002741416
EOS-2-15347,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4c[nH]nn4)c(F)n3)n12,KZIJNFGUQXIUIR-UHFFFAOYSA-N,2,1,0.458,19,442,438.373,3.01,5,0.406,0.45,0.998,0.7178140634637791,0.6673805770680556,0.7003889383866767,0.7233739976697965,0.702239394147077
EOS-2-15348,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,KLYNGMUIHJKUHQ-UHFFFAOYSA-N,2,1,0.62,47,51,438.373,3.569,5,0.447,0.69,1.0,0.89978411349462,0.6479850592831198,0.9175947501884724,0.7891508464121719,0.8136286923445961
EOS-2-15349,FCc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cc2F)n[nH]1,ULONYTUNQGLSRD-UHFFFAOYSA-N,2,1,0.506,47,164,438.373,3.298,5,0.406,0.6,1.0,0.8105167569049414,0.7252073195805634,0.6157305873483654,0.6058186553354807,0.6893183297923376
EOS-2-15350,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)cn1,XRNGCMGVUTYFKD-UHFFFAOYSA-N,2,1,0.467,55,468,438.373,3.558,5,0.374,0.72,1.0,0.4977897333972997,0.57571448152971,0.8344270440682613,0.742289767664999,0.6625552566650675
EOS-2-15351,FC(F)(F)c1cncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,MUIUDNNHZFUCEH-UHFFFAOYSA-N,2,1,0.512,47,51,438.373,3.569,5,0.447,0.69,1.0,0.8858371598930848,0.6284867384003838,0.9471763415804263,0.8761394010006168,0.834409910218628
EOS-2-15352,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)c1,BJVNFDZVXVULAP-UHFFFAOYSA-N,2,1,0.456,55,468,438.373,3.558,5,0.4,0.67,1.0,0.5153519292714687,0.5910492769515455,0.8311459118634775,0.7524929751216504,0.6725100233020355
EOS-2-15353,FC(F)(F)c1cccc(COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)n1,BLHZBTOJNDRNIE-UHFFFAOYSA-N,2,1,0.462,27,69,438.373,3.569,5,0.447,0.66,1.0,0.6358542937427181,0.6479936262079364,0.9017716400520869,0.7703121787403193,0.7389829346857653
EOS-2-15354,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)c1,KDXDMAPJYOLLMH-UHFFFAOYSA-N,2,1,0.529,43,402,438.373,2.978,5,0.389,0.77,1.0,0.6417055033925022,0.7569991775752176,0.7155866630114454,0.7260554451374135,0.7100866972791446
EOS-2-15355,Cn1nncc1-c1ncc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1F,HFXGEUANWDSKRZ-UHFFFAOYSA-N,2,1,0.62,59,294,438.373,2.978,5,0.416,0.65,1.0,0.5565845384140908,0.6147453909944486,0.7155952299362621,0.7260640120622301,0.6532472928517579
EOS-2-15356,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)cc1,GODBGDYGBZRINM-UHFFFAOYSA-N,2,1,0.582,43,402,438.373,2.978,5,0.389,0.69,1.0,0.8236755534233432,0.7345195668562813,0.7364214241655815,0.7422983345898156,0.7592287197587554
EOS-2-15357,Cn1nc(-c2ncccc2F)nc1COc1cncc2nnc(-c3cc(F)cc(F)c3)n12,ALDHFBJSXZVIKD-UHFFFAOYSA-N,2,1,0.58,73,446,438.373,2.978,5,0.416,0.75,1.0,0.5153604961962854,0.6049705297786306,0.3264598039887602,0.4496521828524433,0.47411075320402996
EOS-2-15358,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c(F)c1,CTHJTWUTZBWQAN-UHFFFAOYSA-N,2,1,0.68,34,402,438.373,2.978,5,0.416,0.77,1.0,0.8500959495579467,0.860222054691248,0.7389401000616819,0.7655232677678021,0.8036953430196697
EOS-2-15359,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)c(F)c1,YASKICGBRATZAV-UHFFFAOYSA-N,2,1,0.55,84,749,438.369,3.88,5,0.397,0.73,1.0,0.8840980741553012,0.8339729970529779,0.8568466863134809,0.8354893427455281,0.852601775066822
EOS-2-15360,Fc1cnccc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)on1,LZCHPWYROQSPDN-UHFFFAOYSA-N,2,1,0.523,97,676,438.369,4.497,5,0.386,0.63,1.0,0.947698923994243,0.8373055308066616,0.9258875334110068,0.8983277362757864,0.9023049311219244
EOS-2-15361,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,CIKKRAUGTBKRHS-UHFFFAOYSA-N,2,1,0.374,61,697,438.369,4.536,5,0.407,0.74,1.0,0.8183554931121925,0.7068655335480776,0.9762953190322802,0.9292714687135906,0.8576969536015352
EOS-2-15362,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cocn5)c4)n23)cc1,MATKQLJPIVBDGG-UHFFFAOYSA-N,2,1,0.55,1,805,438.369,4.439,5,0.401,0.74,1.0,0.9510057569734768,0.8229816325131931,0.972508738263313,0.927249674456857,0.91843645055171
EOS-2-15363,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)cc(F)cc5F)n34)ccn2)o1,TWTZUDBOSLNNIR-UHFFFAOYSA-N,2,1,0.5,59,577,438.369,4.146,5,0.407,0.69,1.0,0.8335018161880612,0.7297477897333973,0.8672297991912823,0.8254146391611267,0.8139735110684668
EOS-2-15364,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cc1,PTOHOHIRYOTCFQ-UHFFFAOYSA-N,2,1,0.592,43,138,438.369,4.439,5,0.401,0.73,1.0,0.9685936536220958,0.8373140977314784,0.9773661846343636,0.940734014118292,0.9310019875265574
EOS-2-15365,FCc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)o1,CGLIVPXZHHQYSF-UHFFFAOYSA-N,2,1,0.541,43,178,438.369,4.168,5,0.393,0.7,1.0,0.9109125488314714,0.8508669727914467,0.7721283668014529,0.752501542046467,0.8216023576177095
EOS-2-15366,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1F,XGDACDYCZINNPS-UHFFFAOYSA-N,2,1,0.58,91,803,438.369,3.88,5,0.372,0.67,1.0,0.9713607703378795,0.9464395860461928,0.8766362826399835,0.8555702145157974,0.9125017133849632
EOS-2-15367,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cn4)n23)c(OC(F)(F)F)c1,VCJUMMLXPBETDP-UHFFFAOYSA-N,2,1,0.345,96,680,438.369,4.715,5,0.401,0.75,1.0,0.67546775409499,0.6772154067575903,0.962836680145295,0.9112123912000548,0.8066830580494826
EOS-2-15368,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4coc(-c5ccncc5)n4)n23)cc1,OGEQIMCLMPDFHC-UHFFFAOYSA-N,2,1,0.548,1,676,438.369,4.439,5,0.401,0.81,1.0,0.7942224659036392,0.7482609142622164,0.9587331231581112,0.8983363032006031,0.8498882016311424
EOS-2-15369,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)c4)n23)cc1,RHKGCHDHPXJPLL-UHFFFAOYSA-N,2,1,0.582,43,138,438.369,4.439,5,0.401,0.75,1.0,0.9556832979233775,0.8339815639777945,0.9756613665958468,0.937332944966075,0.9256647933657733
EOS-2-15370,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)o1,XMNSHGBNFZMJBG-UHFFFAOYSA-N,2,1,0.632,1,528,438.369,4.961,5,0.392,0.8,1.0,0.9517510794325269,0.8877989856761017,0.9601809334521281,0.9020029470221369,0.9254334863957234
EOS-2-15371,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cn4)n23)cc1,QJQCOZMRBGQBMQ-UHFFFAOYSA-N,2,1,0.598,1,676,438.369,4.439,5,0.401,0.69,1.0,0.7657460078130355,0.6870759372215749,0.9706668494277294,0.9250394078541567,0.8371320505791241
EOS-2-15372,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(OC(F)(F)F)nc5)n34)cc2)o1,FEQQOUBRGDEJKM-UHFFFAOYSA-N,2,1,0.354,96,121,438.369,4.715,5,0.401,0.74,1.0,0.6814731683914742,0.7297563566582139,0.9591700363237612,0.8941899115893359,0.8161473682406963
EOS-2-15373,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c(F)c1,JSLURLYEMICARO-UHFFFAOYSA-N,2,1,0.61,91,803,438.369,3.88,5,0.397,0.7,1.0,0.962528270851895,0.9188369542868892,0.867238366116099,0.8488023439106298,0.8993514837913783
EOS-2-15374,Fc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)on1,VBPAAFLOAVBDOL-UHFFFAOYSA-N,2,1,0.517,97,676,438.369,4.497,5,0.361,0.72,1.0,0.9124545952984716,0.8229901994380098,0.9118377767116715,0.8761479679254335,0.8808576348433966
EOS-2-15375,COc1cc(C(F)(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3)n12,BXWGMHOKJTUYGF-UHFFFAOYSA-N,2,1,0.366,96,697,438.369,4.536,5,0.407,0.74,1.0,0.7056233294496608,0.6625573983962717,0.9739137139332465,0.9230690151463231,0.8162908642313755
EOS-2-15376,FC(F)(F)c1ccccc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,FGPJMWCNLUBNLK-UHFFFAOYSA-N,2,1,0.562,1,138,438.369,4.439,5,0.401,0.78,1.0,0.9394661092454253,0.8267596463573436,0.9709495579466795,0.9261616750051401,0.9158342471386471
EOS-2-15377,Fc1cc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,RUPBRWBAFXREMI-UHFFFAOYSA-N,2,1,0.537,43,138,438.369,4.497,5,0.386,0.73,1.0,0.9660749777259955,0.8878075526009184,0.9507487492289768,0.9250479747789734,0.9324198135837161
EOS-2-15378,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)on2)nc1,SZSZLVLEVBURRR-UHFFFAOYSA-N,2,1,0.542,97,805,438.369,4.497,5,0.386,0.72,1.0,0.9548523062161607,0.8407751353574121,0.9017802069769035,0.8735436227811665,0.8927378178329107
EOS-2-15379,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cnc(F)c(-c5cnco5)c4)n23)c1,IJKMJMCBTQMWEQ-UHFFFAOYSA-N,2,1,0.565,84,884,438.369,3.88,5,0.372,0.66,1.0,0.9014546638338702,0.7609827976149681,0.8818963744774175,0.8672297991912823,0.8528909087793846
EOS-2-15380,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4noc(-c5ccccc5)n4)n23)cc1,RBJADNSOQFRNNC-UHFFFAOYSA-N,2,1,0.543,1,679,438.369,4.439,5,0.401,0.78,1.0,0.808100884106641,0.6969107669111095,0.9166095538345556,0.8591511890891645,0.8201930984853676
EOS-2-15381,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cc2)c(F)o1,DPFKNAQAXBPUTR-UHFFFAOYSA-N,2,1,0.506,4,526,438.369,4.146,5,0.407,0.71,1.0,0.8262884654924268,0.7392485093550819,0.7721369337262696,0.7260725789870468,0.7659366218902064
EOS-2-15382,O=c1onc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ncccn6)nc5)n34)cn2)o1,BWSNVNWMKSGYKV-UHFFFAOYSA-N,2,1,0.284,86,459,438.367,1.708,6,0.392,0.63,0.993,0.2649664176547187,0.13876704818038516,0.035124391748338014,0.03385648687547118,0.11817858611472826
EOS-2-15383,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)no2)nn1,BNMJKJYSJZPDFE-UHFFFAOYSA-N,2,1,0.494,73,391,438.354,2.497,5,0.39,0.78,1.0,0.7086560208347612,0.7019995202522102,0.26771640052086904,0.25868686176410116,0.4842647008429854
EOS-2-15384,COc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1nnco1,QAEUCCYFRZSEDV-UHFFFAOYSA-N,2,1,0.419,49,469,438.354,2.497,5,0.39,0.57,0.999,0.5387567678706051,0.4306164759098074,0.35257179082996365,0.2795901583167706,0.4003837982317867
EOS-2-15385,OCc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cn2)no1,RGWSIZXGQYBCAH-UHFFFAOYSA-N,2,1,0.506,73,212,438.354,1.981,5,0.419,0.63,1.0,0.6874614488383249,0.6820557192790077,0.289947570420122,0.3192721540675759,0.4946842231512576
EOS-2-15386,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)ccc1-c1nnco1,MUMLENKZTJLWFY-UHFFFAOYSA-N,2,1,0.421,49,122,438.354,2.497,5,0.365,0.6,0.892,0.5465012679048729,0.45711397436776097,0.31167329175519154,0.2409190596943321,0.38905189843053933
EOS-2-15387,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)nc1,MYPSFRGGNJFPGG-UHFFFAOYSA-N,2,1,0.511,27,128,438.354,2.812,5,0.374,0.67,1.0,0.5816856281269276,0.5381999177575217,0.5780875197039271,0.47470187101637995,0.543168734151189
EOS-2-15388,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncc(-c5conn5)cn4)n23)cc1,APVFOMLNVQPKQY-UHFFFAOYSA-N,2,1,0.628,27,946,438.354,2.812,5,0.374,0.69,1.0,0.6692567336029059,0.6099050784730313,0.6006013981221301,0.522590980741553,0.6005885477349051
EOS-2-15389,COc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1ncon1,JLYFKDCJNLUVQT-UHFFFAOYSA-N,2,1,0.419,46,896,438.354,2.497,5,0.39,0.59,1.0,0.517947707490919,0.4439808786238092,0.33017784935919403,0.26480364608320195,0.38922752038928105
EOS-2-15390,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)o1,LMTZZKKNTQHIRY-UHFFFAOYSA-N,2,1,0.44,55,564,438.354,2.497,5,0.39,0.65,0.995,0.69953224590501,0.5427318209855391,0.37130765540401617,0.29438523747515594,0.4769892399424303
EOS-2-15391,FC(F)Oc1ccc(-c2nnc3cncc(OCc4noc(-c5cnccn5)n4)n23)cc1,RCPKLTACIANAOQ-UHFFFAOYSA-N,2,1,0.636,51,540,438.354,2.812,5,0.374,0.81,1.0,0.627424439723117,0.5862946336782948,0.42978548420259066,0.39294770749091906,0.5091130662737304
EOS-2-15392,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnc5)o4)n23)nc1,UFSIOPAXMVBKBV-UHFFFAOYSA-N,2,1,0.462,53,587,438.354,2.812,5,0.374,0.68,1.0,0.5734785141525598,0.5568329792337743,0.42270920430402303,0.37400623672126654,0.48175673360290594
EOS-2-15393,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)cnn4)n23)cc1F,VIVCALZWDDEKMA-UHFFFAOYSA-N,2,1,0.524,13,236,438.344,4.597,5,0.382,0.7,1.0,0.733106024261531,0.7783136865190871,0.9713950380371462,0.9773918854088136,0.8650516585566445
EOS-2-15394,Fc1cc(F)cc(Oc2cncc3nnc(-c4ccc(-c5cnc(F)c(F)c5)cn4)n23)c1,NZOPCARQDVTQHL-UHFFFAOYSA-N,2,1,0.409,13,573,438.344,4.597,5,0.302,0.82,1.0,0.7858097457336715,0.8304691248029608,0.9612517990542115,0.9611575628812281,0.8846720581180179
EOS-2-15395,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)nc4)n23)c(F)c1,NURUQYOPYIPDCC-UHFFFAOYSA-N,2,1,0.471,13,145,438.344,4.597,5,0.302,0.72,0.998,0.8262970324172435,0.9111267219518882,0.9507573161537934,0.9492409704612432,0.9093555102460422
EOS-2-15396,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)c(F)c4)n23)cc1F,ZEOCCNFODMUSLZ-UHFFFAOYSA-N,2,1,0.789,23,240,438.331,4.849,4,0.418,0.75,1.0,0.9977468987732163,0.9944229319443493,0.9991604413679666,0.9987320951271331,0.9975155918031663
EOS-2-15397,Fc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)cc1Cl,YHGQVKXSVPHALD-UHFFFAOYSA-N,2,1,0.4,45,102,461.671,5.608,5,0.347,0.84,1.0,0.41021862792132135,0.6334298540196012,0.9301281611952573,0.9744876978959632,0.7370660852580357
EOS-2-15398,Fc1cc(Cl)ccc1-n1nnc(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)n1,BDNMGPKTAJMONA-UHFFFAOYSA-N,2,1,0.371,22,990,461.675,4.533,5,0.392,0.72,1.0,0.12763004591871702,0.4703241724350627,0.7416301144541155,0.9241655815228565,0.565937478582688
EOS-2-15399,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(OC(F)(F)F)cc4)n23)cc1,YELQNUPNOKXESJ-UHFFFAOYSA-N,2,1,0.823,48,444,438.312,5.084,4,0.391,0.82,1.0,0.9895997532725653,0.9786940579809471,0.9985264889315332,0.9961020492084162,0.9907305873483654
EOS-2-15400,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3cnc(-c4nnn(C)n4)cc3Cl)n12,NXAGXKWTQWEECE-UHFFFAOYSA-N,2,1,0.325,22,649,438.282,3.659,5,0.424,0.66,1.0,0.1855938592282914,0.35552737989171407,0.3447416215475293,0.5225995476663697,0.35211560208347614
EOS-2-15401,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nn2)nn1C,ZXTKDGOHGLREMY-UHFFFAOYSA-N,2,1,0.398,22,844,438.282,3.659,5,0.424,0.71,0.773,0.21890206291549585,0.3840295387567679,0.1832036872044411,0.3676324446576657,0.28844193338359264
EOS-2-15402,Clc1ccc(-c2nnc3cncc(OCc4ncn(-c5cccc(Cl)c5)n4)n23)cc1,JHZKCZHERQKZFU-UHFFFAOYSA-N,2,1,0.549,34,612,438.278,4.258,5,0.408,0.72,1.0,0.5936621890206292,0.7526471797683504,0.615739154273182,0.7703207456651361,0.6830923171818244
EOS-2-15403,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cnc(Cl)n5)cc4)n23)cc1,VFTDWKFRURUKFC-UHFFFAOYSA-N,2,1,0.676,43,612,438.278,4.258,5,0.408,0.76,1.0,0.7389486669864985,0.8112535124391749,0.7514221095195669,0.802506682201357,0.7760327427866494
EOS-2-15404,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)cn4)n23)cc1,MQTISMRKJQWNSO-UHFFFAOYSA-N,2,1,0.588,4,32,438.278,4.258,5,0.408,0.68,1.0,0.4756442327462134,0.7740987595092865,0.7235539030909465,0.7960643547392228,0.6923403125214173
EOS-2-15405,COc1cc(Cl)ccc1-c1nnc2cncc(-c3cnn(-c4cccc(Cl)n4)c3)n12,FGSRQHSRGCPIOP-UHFFFAOYSA-N,2,1,0.371,96,985,438.278,4.354,5,0.388,0.74,1.0,0.06233294496607498,0.31685628126927556,0.7053834555547941,0.7602289082311013,0.4612003975053115
EOS-2-15406,Cn1cncc1-c1ccnc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)c1,ZMQICKZCKOOSKA-UHFFFAOYSA-N,2,1,0.518,13,573,438.278,4.686,5,0.405,0.79,1.0,0.5465098348296895,0.4484613803029265,0.8025752175998904,0.8394900966349119,0.6592591323418546
EOS-2-15407,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c(Cl)c2)n1,NJWJGXPFLVRDGF-UHFFFAOYSA-N,2,1,0.615,13,15,438.278,4.686,5,0.405,0.78,1.0,0.43289527791104104,0.6772239736824069,0.7003975053114934,0.7912754437667056,0.6504480501679117
EOS-2-15408,Clc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,SHRKSURQXAOOBO-UHFFFAOYSA-N,2,1,0.584,34,612,438.278,4.258,5,0.408,0.72,1.0,0.5310465355356041,0.786854910561305,0.6331300116510178,0.77509252278802,0.6815309951339867
EOS-2-15409,Cn1nc(-c2cccc(Cl)n2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,ZUUWSXUICJPATH-UHFFFAOYSA-N,2,1,0.481,34,706,438.278,4.686,5,0.379,0.76,1.0,0.6565862517990542,0.7949934891371393,0.6331385785758344,0.7260811459118635,0.7026998663559729
EOS-2-15410,Clc1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,MHBHUZNXIPOBEN-UHFFFAOYSA-N,2,1,0.712,34,612,438.278,4.258,5,0.408,0.76,1.0,0.3952008087177027,0.72521588650538,0.6841289150846412,0.817515934480159,0.6555153861969707
EOS-2-15411,Cn1ccnc1-c1cncc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)c1,KHLDYJLHLBPUJZ-UHFFFAOYSA-N,2,1,0.597,2,995,438.278,4.686,5,0.405,0.71,1.0,0.5621444726201082,0.5427403879103557,0.767587896648619,0.8156055102460421,0.6720195668562813
EOS-2-15412,Clc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)cc5)n4)n23)cc1,BMMVPCGJWOYMAI-UHFFFAOYSA-N,2,1,0.577,34,612,438.278,4.258,5,0.408,0.71,1.0,0.5465184017545062,0.7437889795079159,0.6331471455006511,0.7774569940374203,0.6752278802001234
EOS-2-15413,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,SHRSYLAFPOSEAB-UHFFFAOYSA-N,2,1,0.394,96,46,438.278,4.559,5,0.442,0.74,1.0,0.42159550407785623,0.5335737783565211,0.8045627441573573,0.8354979096703448,0.6488074840655198
EOS-2-15414,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)[nH]n2)cc1,MLXCNUVKOBQRLT-UHFFFAOYSA-N,2,1,0.494,34,963,438.278,4.462,5,0.436,0.69,1.0,0.4469364676855596,0.5064166266876842,0.7514306764443835,0.8452984716606127,0.63752056061956
EOS-2-15415,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)c(Cl)c1,NGJCLKZHRYVAFQ-UHFFFAOYSA-N,2,1,0.561,4,10,438.278,4.258,5,0.408,0.62,1.0,0.4238314714550065,0.6625659653210884,0.7340740867658145,0.7982489205674731,0.6546801110273456
EOS-2-15416,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1,ZWNCYMKZZYWYML-UHFFFAOYSA-N,2,1,0.571,13,252,438.278,4.686,5,0.405,0.75,1.0,0.5412840106915222,0.8035689808786238,0.7235624700157631,0.8088719073401411,0.7193218422315125
EOS-2-15417,Clc1nccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1Cl,MXSCLBKOKVONDB-UHFFFAOYSA-N,2,1,0.489,43,178,438.278,4.462,5,0.407,0.59,1.0,0.8478000137070797,0.807484065519841,0.827419299568227,0.857360701802481,0.8350160201494071
EOS-2-15418,Clc1ccc(-n2ncnc2COc2cncc3nnc(-c4ccccc4)n23)c(Cl)c1,DCEHQDLKPJJSHU-UHFFFAOYSA-N,2,1,0.494,34,612,438.278,4.258,5,0.408,0.77,1.0,0.5790298814337606,0.6381416626687684,0.5314748817764375,0.7071910766911109,0.6139593756425192
EOS-2-15419,Cn1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)c(Cl)c5)n34)c2)n1,UPGDKKFVNWMGCS-UHFFFAOYSA-N,2,1,0.582,13,995,438.278,4.686,5,0.405,0.67,1.0,0.49290658625179906,0.5105373175245014,0.8128640943047084,0.8434308820505791,0.664934720032897
EOS-2-15420,Cn1cncc1-c1cc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccn1,WCMRGVKRMXUFOY-UHFFFAOYSA-N,2,1,0.494,13,110,438.278,4.686,5,0.405,0.78,1.0,0.4929151531766157,0.5427489548351724,0.7813806456034542,0.8234785141525598,0.6601308169419505
EOS-2-15421,Cn1nncc1-c1cccc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)c1,WDTGSFCOPVUHBY-UHFFFAOYSA-N,2,1,0.612,13,15,438.278,4.686,5,0.405,0.72,1.0,0.5179562744157358,0.5757230484545267,0.7938369542868892,0.8505585634980467,0.6845187101637996
EOS-2-15422,Clc1ccc(-c2nnc3cncc(OCc4ccn(-c5cc(Cl)ccn5)n4)n23)cc1,GEPVEWZUHWGVTE-UHFFFAOYSA-N,2,1,0.549,34,32,438.278,4.258,5,0.408,0.77,1.0,0.4329038448358577,0.6772325406072236,0.6484819409224865,0.7655318346926188,0.6310375402645466
EOS-2-15423,Cn1nc(-c2ccnc(Cl)c2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,GUSKJNDRWWVAHQ-UHFFFAOYSA-N,2,1,0.487,34,706,438.278,4.686,5,0.379,0.75,1.0,0.647745185388253,0.7868634774861216,0.7235710369405798,0.7866493043657049,0.7362072510451648
EOS-2-15424,Clc1ccc(Cl)c(-c2nnc3cncc(OCc4nncn4-c4ccccc4)n23)c1,NDKHKSNRGIMZIV-UHFFFAOYSA-N,2,1,0.46,34,612,438.278,4.258,5,0.408,0.73,1.0,0.45635151805907753,0.5291018436022206,0.6006099650469467,0.7549345486944007,0.5852494688506614
EOS-2-15425,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc(Cl)n1,KJVJOMBFPXHDHI-UHFFFAOYSA-N,2,1,0.524,43,22,438.278,4.462,5,0.407,0.63,1.0,0.8997926804194366,0.7993026523199233,0.8064217668425742,0.8355064765951614,0.8352558940442738
EOS-2-15426,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cc1Cl,LGCHUQFQPVQLLC-UHFFFAOYSA-N,2,1,0.58,4,391,438.278,4.258,5,0.408,0.68,1.0,0.4607720512644781,0.7205726132547461,0.7743129326297032,0.8156140771708588,0.6928179185799466
EOS-2-15427,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)c(Cl)c1,FCHPNJIUEBTKHM-UHFFFAOYSA-N,2,1,0.548,16,10,438.278,4.258,5,0.408,0.7,1.0,0.439962990884792,0.6673891439928723,0.7261411143855802,0.7891594133369886,0.6556631656500582
EOS-2-15428,Clc1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n1,WFMVABWSSYSBSC-UHFFFAOYSA-N,2,1,0.472,43,22,438.278,4.462,5,0.407,0.62,1.0,0.7858183126584881,0.8188952093756425,0.7340826536906312,0.80033925022274,0.7847838564868754
EOS-2-15429,Clc1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5)nn4)n23)c(Cl)c1,XZBGAUMJBSNMAH-UHFFFAOYSA-N,2,1,0.699,34,612,438.278,4.258,5,0.408,0.75,1.0,0.3330820368720444,0.642664998971969,0.6157477211979988,0.7575902953875677,0.587271263107395
EOS-2-15430,Clc1ccc(-c2nnc3cncc(OCc4cn(-c5cccc(Cl)c5)nn4)n23)cc1,ASVODOZUWHQVJN-UHFFFAOYSA-N,2,1,0.699,34,612,438.278,4.258,5,0.408,0.79,1.0,0.41687512850387226,0.7345281337810979,0.6705846069494894,0.8111421424165581,0.6582825029127544
EOS-2-15431,Clc1ccc(-c2ncoc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,MGWNBNJLDNOKCB-UHFFFAOYSA-N,2,1,0.667,57,798,438.274,5.332,5,0.369,0.69,1.0,0.976715098348297,0.9663748200945789,0.8425399218696457,0.9020115139469536,0.9219103385648688
EOS-2-15432,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1Cl,CICATPVFFRDJJE-UHFFFAOYSA-N,2,1,0.597,1,326,438.274,5.332,5,0.369,0.74,1.0,0.9548608731409773,0.9024227263381537,0.9285090124049071,0.9407425810431088,0.9316337982317868
EOS-2-15433,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)cc4)n23)c(Cl)c1,UQDYCZCGVABWDY-UHFFFAOYSA-N,2,1,0.597,57,951,438.274,5.332,5,0.369,0.67,1.0,0.909353368514838,0.9310362552258241,0.9090021245973545,0.9304280035638407,0.9199549379754643
EOS-2-15434,Cc1ncc(-c2ccc(Cl)c(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)o1,TYJWAZMSTKNSTA-UHFFFAOYSA-N,2,1,0.443,13,145,438.274,5.854,5,0.35,0.78,1.0,0.6477537523130698,0.7993112192447399,0.880517099581934,0.9031252141731204,0.8076768213282159
EOS-2-15435,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)o4)n23)cc1,NJGZSHVSIXRDOW-UHFFFAOYSA-N,2,1,0.568,1,268,438.274,5.332,5,0.345,0.76,1.0,0.9165410184360222,0.9414793365773422,0.852383318483997,0.8887841820300185,0.8997969638818449
EOS-2-15436,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)c5)no4)n23)cc1,PBLZFPCZJGGGBV-UHFFFAOYSA-N,2,1,0.623,57,798,438.274,5.332,5,0.369,0.8,1.0,0.9422589267356589,0.9226064012062231,0.859887944623398,0.9145020903296552,0.909813840723734
EOS-2-15437,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)c5)co4)n23)cc1,AVHSPANPMZMFPC-UHFFFAOYSA-N,2,1,0.588,57,461,438.274,5.332,5,0.369,0.82,1.0,0.8566068124186142,0.929648413405524,0.8237440888218766,0.890060653827702,0.8750149921184291
EOS-2-15438,Clc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)cc1,HAVQUBMDKCDYGH-UHFFFAOYSA-N,2,1,0.667,57,798,438.274,5.332,5,0.369,0.84,1.0,0.9599667603317114,0.9387036529367419,0.8699540812829827,0.9177318209855391,0.9215890788842438
EOS-2-15439,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)c5)o4)n23)cc1,OGEQOXBBKGAXRU-UHFFFAOYSA-N,2,1,0.603,57,461,438.274,5.332,5,0.369,0.83,1.0,0.895038037146186,0.9464481529710095,0.8394215612363786,0.8983448701254197,0.8948131553697485
EOS-2-15440,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)ccc1F,QBOWOZPVCSMALS-UHFFFAOYSA-N,2,1,0.821,48,231,438.26,4.186,4,0.467,0.78,1.0,0.9951682544033994,0.9967531354944829,0.938052566650675,0.9329124117606744,0.9657215920773079
EOS-2-15441,Fc1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccc1Cl,ZZVFQCDQIIOBHQ-UHFFFAOYSA-N,2,1,0.435,45,102,438.253,4.756,5,0.404,0.75,1.0,0.43768418888355837,0.7868720444109383,0.8614471249400315,0.9423959975327256,0.7570998389418134
EOS-2-15442,Fc1cc(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccc1Cl,PUMXWYRQVCASTP-UHFFFAOYSA-N,2,1,0.455,45,730,438.253,4.756,5,0.404,0.87,1.0,0.4287060516756905,0.7912411760674388,0.8740405044205332,0.9438866424508259,0.7594685936536221
EOS-2-15443,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4ccnc(Cl)n4)nc3)n12,PCQXWCMDJSFAHA-UHFFFAOYSA-N,2,1,0.367,45,575,438.253,4.756,5,0.378,0.74,0.999,0.34025255294359535,0.6772411075320403,0.8568552532382976,0.9100644232746213,0.6961033342471385
EOS-2-15444,Fc1cc(-c2nnc3cncc(-c4cnnc(-c5ccc(Cl)nc5)c4)n23)ccc1Cl,IBNFFENPFHLTCA-UHFFFAOYSA-N,2,1,0.359,45,102,438.253,4.756,5,0.378,0.61,1.0,0.3993472003289699,0.667397710917689,0.9223322596120896,0.955049345486944,0.7360316290864231
EOS-2-15445,Fc1ccc(-c2nnc3cncc(-c4cnnc(-c5cc(Cl)cc(Cl)c5)n4)n23)cc1,ATXKVBPJBKPRBO-UHFFFAOYSA-N,2,1,0.455,45,730,438.253,4.756,5,0.404,0.8,1.0,0.3516979644986636,0.6530738126242204,0.8472602974436296,0.9347200328969913,0.6966880268658762
EOS-2-15446,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cnnc(-c4ccc(Cl)cc4)n3)n12,XGGWOHZBEIRLBN-UHFFFAOYSA-N,2,1,0.433,45,730,438.253,4.756,5,0.404,0.82,1.0,0.41235179220067164,0.782648550476321,0.8508155712425468,0.9364591186347748,0.7455687581385786
EOS-2-15447,Fc1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,NBPTYMLNQUNXSK-UHFFFAOYSA-N,2,1,0.443,45,575,438.253,4.756,5,0.378,0.74,0.999,0.3723870879309163,0.7020080871770269,0.8778527859639503,0.9337605373175245,0.7215021245973545
EOS-2-15448,Fc1ccnc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)c1,WTCPCXIZXDWFTN-UHFFFAOYSA-N,2,1,0.394,45,575,438.253,4.756,5,0.404,0.71,1.0,0.3817079021314509,0.6723408265369063,0.8740490713453499,0.9329209786854911,0.7152546946747995
EOS-2-15449,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,HZKCPCACQBUHKX-UHFFFAOYSA-N,2,1,0.455,45,730,438.253,4.756,5,0.404,0.9,1.0,0.42871461860050714,0.795002056061956,0.8740576382701666,0.9438952093756425,0.760417380577068
EOS-2-15450,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5cccc(Cl)c5)n34)n2)cc1Cl,CTCXVIRCRIPQBL-UHFFFAOYSA-N,2,1,0.478,45,730,438.253,4.756,5,0.404,0.83,1.0,0.32048009046672604,0.6194743334932493,0.8628435336851484,0.9389777945308752,0.6854439380439997
EOS-2-15451,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cncnc3-c3cccc(Cl)n3)n12,TVLVSPQVFNFPKK-UHFFFAOYSA-N,2,1,0.362,45,575,438.253,4.756,5,0.378,0.72,0.999,0.3885528750599685,0.6674062778425056,0.8408779384552121,0.9189054896854225,0.7039356452607772
EOS-2-15452,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4ccnc(Cl)n4)cn3)n12,JZHXXCBNPFTHLQ-UHFFFAOYSA-N,2,1,0.367,45,140,438.253,4.756,5,0.378,0.7,1.0,0.35170653142348024,0.6870845041463917,0.8568638201631142,0.910072990199438,0.701431961483106
EOS-2-15453,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)nn5)nn4)n23)cn1,WHXRQBQKVBKXDR-UHFFFAOYSA-N,2,1,0.354,53,706,438.238,3.532,5,0.389,0.63,1.0,0.5964635734356796,0.769832430950586,0.3863426084572682,0.4927352477554657,0.5613434651497499
EOS-2-15454,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cncc(Br)c3)n12,SBJIFXUCMHWXSN-UHFFFAOYSA-N,2,1,0.333,96,575,438.22,3.805,5,0.423,0.71,1.0,0.3228359947913097,0.42176684257418956,0.6677746556096223,0.7129480501679117,0.5313313857857583
EOS-2-15455,Cn1nc(-c2nncn2C(F)F)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3F)n12,OUPYDPGNCZDLBQ-UHFFFAOYSA-N,2,1,0.462,36,292,461.795,3.763,5,0.392,0.57,1.0,0.5360753204029881,0.7698409978754026,0.6788431224727571,0.7155181276129121,0.6750693920910149
EOS-2-15456,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccc(Cl)n5)n4)n23)cc1,KPUSLJKURXNRFK-UHFFFAOYSA-N,2,1,0.505,4,32,461.829,3.179,5,0.21,0.67,1.0,0.7481923788636831,0.45268487423754367,0.179931121924474,0.11461688712219861,0.37385631553697485
EOS-2-15457,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4cc(F)ccc4Oc4cccc(Cl)c4)n23)cc1,HCWMSIAABVWGGN-UHFFFAOYSA-N,2,1,0.45,83,480,461.84,5.951,5,0.237,0.81,1.0,0.41460489342745527,0.4703327393598794,0.9028596395038038,0.8555787814406141,0.6608440134329381
EOS-2-15458,FCn1cncc1-c1ccc(-c2nnc3cncc(OCc4nnc(Cl)s4)n23)nc1F,LUULDZHHWRQYDX-UHFFFAOYSA-N,2,1,0.366,53,223,461.845,3.2,5,0.355,0.61,0.94,0.4123603591254883,0.4306250428346241,0.1897745185388253,0.26481221300801866,0.3243930333767391
EOS-2-15459,Cn1nc(-c2cnc(C#N)cn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,RLTGQUQSKQTDLG-UHFFFAOYSA-N,2,1,0.511,4,212,461.848,3.225,5,0.391,0.56,1.0,0.5387653347954219,0.7826571174011376,0.5652628332533753,0.5996333356178466,0.6215796552669454
EOS-2-15460,Cn1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1cnc(C#N)c(F)c1,QQAXKWBNOXOENM-UHFFFAOYSA-N,2,1,0.388,95,694,461.848,3.225,5,0.366,0.68,1.0,0.47824001096566376,0.4659293400041121,0.6245973545336166,0.6210163799602495,0.5474457713659105
EOS-2-15461,Cc1cc(-c2nnn(C)n2)cc(F)c1Oc1cncc2nnc(-c3ccc(Cl)c(C#N)c3)n12,FBUBMMIKTGZPCD-UHFFFAOYSA-N,2,1,0.449,36,258,461.848,3.747,5,0.397,0.68,1.0,0.5621530395449249,0.7609913645397848,0.6705931738743061,0.6759560688095402,0.667423411692139
EOS-2-15462,Cn1nc(-c2cnc(C#N)cn2)cc1COc1cncc2nnc(-c3c(F)cccc3Cl)n12,QUMYSVOJYPEZMD-UHFFFAOYSA-N,2,1,0.456,4,877,461.848,3.225,5,0.391,0.54,1.0,0.5234476732232198,0.653082379549037,0.5213573435679528,0.5689466109245426,0.566708501816188
EOS-2-15463,Cc1ncc(-c2nnc3cncc(-c4cnn(C(F)F)c4-c4ccc(F)c(Cl)c4)n23)s1,CUTDQNRMSXKKFL-UHFFFAOYSA-N,2,1,0.33,22,844,461.86,5.274,5,0.364,0.54,1.0,0.14395860461928586,0.3407323007333288,0.8294068261256939,0.8606589678568981,0.5436891748338016
EOS-2-15464,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1Oc1ccccn1,CVEQBSNAAJXCSH-UHFFFAOYSA-N,2,1,0.554,72,224,461.869,4.01,5,0.355,0.7,1.0,0.5680556507436091,0.6237920636008498,0.5039493523404839,0.38032006031115073,0.5190292817490234
EOS-2-15465,Cn1cnc(-c2ccc(-c3nnc4cncc(OC5COc6ccccc6O5)n34)cc2Cl)n1,ILLJJVZJOZRIDU-UHFFFAOYSA-N,2,1,0.441,15,309,461.869,3.417,6,0.401,0.65,1.0,0.7086645877595779,0.7114745390994449,0.642613597423069,0.5938763621410459,0.6641572716057844
EOS-2-15466,O=c1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)cn2)cnn1CCO,AFHDYFIQDLUIIA-UHFFFAOYSA-N,2,1,0.511,13,374,461.869,2.848,5,0.41,0.8,1.0,0.40570385854293745,0.39843053937358647,0.34882804468507983,0.43707593722157495,0.39750959495579463
EOS-2-15467,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)nc1=O,PYHPUCSYGSXUEY-UHFFFAOYSA-N,2,1,0.461,15,931,461.873,2.012,5,0.373,0.57,1.0,0.43087348365430744,0.3555359468165307,0.06182749640189158,0.08379309163182784,0.2330075046261394
EOS-2-15468,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nccc(C)n1,MZMRCBBUWZHVFZ-UHFFFAOYSA-N,2,1,0.354,51,924,461.873,2.983,5,0.372,0.56,0.998,0.5790384483585772,0.492418271537249,0.08572064971557809,0.062478582687958334,0.30491398807484066
EOS-2-15469,COc1ncncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ncn1,YFUPXNUPVLFXBY-UHFFFAOYSA-N,2,1,0.408,18,194,461.873,2.717,5,0.334,0.6,0.998,0.6163045713110822,0.4832345281337811,0.24262387773284902,0.2030275512302104,0.3862976321019807
EOS-2-15470,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)nn4)n23)n1,VJQWEJKGQCBIMM-UHFFFAOYSA-N,2,1,0.39,54,411,461.873,2.717,5,0.357,0.64,0.998,0.6050561990267973,0.5809917072167775,0.11900315262833254,0.13239325611678432,0.35936107874717294
EOS-2-15471,Cc1cc(=O)n(C)nc1-c1cncc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)c1,RPPDVMKHZAAIDZ-UHFFFAOYSA-N,2,1,0.384,92,36,461.873,2.278,5,0.387,0.57,0.999,0.30525666506750737,0.3262627647179768,0.1361798368857515,0.14369302994996916,0.22784807415530123
EOS-2-15472,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nncc(C)n1,MUZJWTRFLWASKR-UHFFFAOYSA-N,2,1,0.44,51,196,461.873,2.983,5,0.372,0.59,1.0,0.6904684394489754,0.6284953053252005,0.17993968884929065,0.14129429100130217,0.41004943115619213
EOS-2-15473,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)nn2)cn1,ABYZWZAAZNLPAH-UHFFFAOYSA-N,2,1,0.38,20,411,461.873,2.717,5,0.357,0.65,0.934,0.5179648413405524,0.5382084846823384,0.15146323075868687,0.13895552052635185,0.3366480193269824
EOS-2-15474,COCc1cnc(-c2cc(-c3nnc4cncc(OCc5cnccc5Cl)n34)ncn2)cn1,MBSHYYYIMMRRHK-UHFFFAOYSA-N,2,1,0.356,7,296,461.873,2.812,5,0.357,0.56,0.947,0.5129531903228017,0.38898122130080187,0.30455417723254063,0.28836268932903847,0.3737128195462957
EOS-2-15475,Cc1nccc(COc2cncc3nnc(-c4cc(-c5nccc(CO)n5)ncn4)n23)c1Cl,CDXQCKRMVZTFEL-UHFFFAOYSA-N,2,1,0.363,46,395,461.873,2.466,5,0.401,0.58,0.644,0.5234562401480365,0.4261531080803235,0.22441916249742994,0.21203138921252826,0.34651497498457956
EOS-2-15476,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cn1,FMJRLMWQKSMQBM-UHFFFAOYSA-N,2,1,0.454,65,903,461.873,2.717,5,0.357,0.64,1.0,0.6105390309094647,0.6674148447673223,0.15147179768350352,0.12586525940648344,0.3888227331916935
EOS-2-15477,OCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cn1,COGIRPNQSBTVFY-UHFFFAOYSA-N,2,1,0.469,65,279,461.873,2.2,5,0.384,0.59,1.0,0.5876139401000616,0.6920447536152423,0.1671064354739223,0.18083921595504077,0.4069010862860667
EOS-2-15478,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cn1,ADWOFRXXIXHEPR-UHFFFAOYSA-N,2,1,0.469,87,903,461.873,2.717,5,0.357,0.68,1.0,0.5516414227948736,0.6576913851004044,0.1482592008772531,0.12381776437529984,0.37035244328695777
EOS-2-15479,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)cn1,QRYJNZIWZAIZQE-UHFFFAOYSA-N,2,1,0.463,75,530,461.873,2.2,5,0.384,0.59,1.0,0.5387739017202385,0.5335823452813379,0.1736944006579398,0.1860736070180248,0.35803106366938525
EOS-2-15480,COc1ncncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ncn1,ZWUPRARECDAQKB-UHFFFAOYSA-N,2,1,0.412,31,194,461.873,2.717,5,0.357,0.56,0.722,0.5760828592968268,0.4659379069289288,0.18978308546364198,0.17509937632787334,0.35172580700431777
EOS-2-15481,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nccc(C)n1,PDEINVLCOHXXRW-UHFFFAOYSA-N,2,1,0.37,7,94,461.873,2.983,5,0.372,0.61,1.0,0.5153690631211021,0.47460763484339663,0.10773764649441436,0.08029778630662737,0.2945030326913851
EOS-2-15482,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)ccc1=O,GIPFAXKBYIESLH-UHFFFAOYSA-N,2,1,0.459,58,602,461.873,2.012,5,0.373,0.66,0.853,0.44694503461037627,0.47914810499623056,0.09497292851757932,0.11694709067233226,0.2845032896991296
EOS-2-15483,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)cn1,VXQIKSMOIACJBP-UHFFFAOYSA-N,2,1,0.4,18,296,461.873,2.2,5,0.359,0.64,1.0,0.45185388253032693,0.38403810568158453,0.24610204920841613,0.2496316222328833,0.33290641491330275
EOS-2-15484,COc1nccc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cn2)n1,ZNSXASUDNSRZIP-UHFFFAOYSA-N,2,1,0.426,65,981,461.873,2.717,5,0.334,0.61,1.0,0.6216503323966829,0.6238006305256665,0.094981495442396,0.08380165855664451,0.3560585292303475
EOS-2-15485,COc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nc2C)cnn1,GHAVGXDGHVXXAZ-UHFFFAOYSA-N,2,1,0.388,7,94,461.873,2.983,5,0.372,0.62,0.982,0.44942087588239327,0.47034130628469606,0.23182955246384757,0.17248646425878966,0.33101954972243164
EOS-2-15486,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cn2)cn1,WRRVNJVPQMXSIU-UHFFFAOYSA-N,2,1,0.495,65,434,461.873,2.717,5,0.334,0.67,1.0,0.7482009457884997,0.7205811801795627,0.19657665684325953,0.14130285792611885,0.4516654101843602
EOS-2-15487,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)cn1,WRXFRDKHAGPKDO-UHFFFAOYSA-N,2,1,0.462,51,441,461.873,2.812,5,0.357,0.68,1.0,0.4705126447810294,0.46594647385374544,0.21403604961962855,0.19175347817147556,0.33556216160646973
EOS-2-15488,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2)cn1,PYZDURXNHWXIKL-UHFFFAOYSA-N,2,1,0.408,53,954,461.873,2.717,5,0.334,0.68,1.0,0.5260948529915701,0.4791566719210472,0.13023439106298404,0.11918305804948255,0.31366724350627095
EOS-2-15489,Fc1ccc(COc2cncc3nnc(-c4ccc(OCc5ccc(Cl)cc5)cc4)n23)nc1,FHVHVPANANXCKF-UHFFFAOYSA-N,2,1,0.679,57,397,461.884,5.137,5,0.334,0.81,1.0,0.9343088205057912,0.937255842642725,0.9223408265369063,0.9112209581248715,0.9262816119525735
EOS-2-15490,Cc1cccnc1COc1cncc2nnc(-c3ccc(Oc4ccc(F)c(Cl)c4)cc3)n12,PVBQHYYRALUYFO-UHFFFAOYSA-N,2,1,0.57,1,881,461.884,5.659,5,0.325,0.8,1.0,0.9510143238982934,0.9152902474127887,0.8993643341786033,0.8832071139743678,0.9122190048660134
EOS-2-15491,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Oc1ccncc1,BOVFSKUVZAVMDT-UHFFFAOYSA-N,2,1,0.711,91,660,461.884,5.393,5,0.323,0.78,1.0,0.9696559522993626,0.9900109656637653,0.9202247961071893,0.9132684531560551,0.9482900418065932
EOS-2-15492,COc1cc(-c2nnc3cncc(OCc4cccnc4-c4ccc(F)cc4)n23)ccc1Cl,OEQQIQSKFDNXAX-UHFFFAOYSA-N,2,1,0.571,57,798,461.884,5.233,5,0.344,0.76,1.0,0.97444486327188,0.9663833870193955,0.9090106915221712,0.892844904393119,0.9356709615516414
EOS-2-15493,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1ccncc1,AMWVPGXEWSFNCG-UHFFFAOYSA-N,2,1,0.529,97,383,461.884,5.233,5,0.344,0.77,1.0,0.9375042834624083,0.887816119525735,0.9429528476458091,0.9198392844904393,0.9220281337810979
EOS-2-15494,Fc1cc(CCOc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)ccc1Cl,JAEMBHZBYGZBNG-UHFFFAOYSA-N,2,1,0.731,79,881,461.884,5.393,5,0.323,0.79,1.0,0.9477074909190597,0.9646700020560619,0.9050270714824207,0.8861627030361181,0.9258918168734152
EOS-2-15495,OCCc1cc(F)ccc1Oc1ncccc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,IPIVVBZFJOYKJH-UHFFFAOYSA-N,2,1,0.371,83,533,461.884,4.973,5,0.384,0.79,1.0,0.7240936193543965,0.8823932561167843,0.8866081831265848,0.8874134740593517,0.8451271331642793
EOS-2-15496,COc1ccccc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cn1,GRJPPDJECLNEHX-UHFFFAOYSA-N,2,1,0.478,57,709,461.884,5.233,5,0.344,0.86,1.0,0.9332465218285244,0.8851775066822014,0.9028682064286204,0.8817850044548009,0.9007693098485368
EOS-2-15497,Fc1cccc(Oc2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)c1,UJOGDAUHPSYUDN-UHFFFAOYSA-N,2,1,0.568,79,590,461.884,5.393,5,0.302,0.76,1.0,0.9524792680419437,0.9622027277088616,0.8508241381673635,0.867238366116099,0.908186125008567
EOS-2-15498,COc1cc(-c2nnc3cncc(OCc4cccc(-c5ccnc(F)c5)c4)n23)ccc1Cl,IVAJQBVHMPCRSD-UHFFFAOYSA-N,2,1,0.529,1,326,461.884,5.233,5,0.322,0.77,1.0,0.9681224727571791,0.9529161812075937,0.9415393050510589,0.9209615516414228,0.9458848776643136
EOS-2-15499,Cn1ccc(-c2cc(F)ccc2COc2cncc3nnc(-c4cccc(Cl)c4)n23)cc1=O,IEDPYVDSTFDMFR-UHFFFAOYSA-N,2,1,0.54,57,709,461.884,4.529,5,0.384,0.62,1.0,0.7568449729285176,0.7392570762798986,0.9090192584469878,0.9132770200808717,0.8295995819340689
EOS-2-15500,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1-c1ccc(C)nc1,SNPRLAGFNJHVHY-UHFFFAOYSA-N,2,1,0.518,13,209,461.884,5.755,5,0.331,0.7,1.0,0.8361147282571448,0.8407837022822288,0.9331951202796245,0.8983534370502364,0.8771117469673086
EOS-2-15501,COc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)ccc1F,YPTSBSDSFZMRJS-UHFFFAOYSA-N,2,1,0.58,1,326,461.884,5.233,5,0.322,0.8,1.0,0.9781372078678637,0.9517168117332603,0.9435439654581591,0.9177403879103557,0.9477845932424097
EOS-2-15502,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)c5)cc4)n23)cc1F,QULLKLYHZYKHAK-UHFFFAOYSA-N,2,1,0.547,1,326,461.884,4.717,5,0.368,0.73,1.0,0.9675913234185457,0.9111352888767048,0.9553491878555274,0.9484870810773764,0.9456407203070386
EOS-2-15503,Fc1cc(CCOc2cncc3nnc(-c4ccc(Oc5cccnc5)cc4)n23)ccc1Cl,KIAAVNCJHXWRJO-UHFFFAOYSA-N,2,1,0.747,91,881,461.884,5.393,5,0.323,0.82,1.0,0.977100609965047,0.9646785689808787,0.922349393461723,0.9112295250496881,0.9438395243643342
EOS-2-15504,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1-c1ccccn1,FBUXCSMEGPIEGX-UHFFFAOYSA-N,2,1,0.65,57,383,461.884,5.233,5,0.344,0.77,1.0,0.9789939003495305,0.932766774038791,0.9258961003358235,0.8970169967788363,0.9336684428757454
EOS-2-15505,COc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)ccc2Cl)cc1,QYBZFZGBXRMFJT-UHFFFAOYSA-N,2,1,0.571,57,461,461.884,5.233,5,0.344,0.77,1.0,0.8896665752861352,0.9567884312247276,0.9259046672606401,0.9077170858748543,0.9200191899115893
EOS-2-15506,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1ccccn1,YWYUCGSLDNZDTH-UHFFFAOYSA-N,2,1,0.691,91,485,461.884,4.973,5,0.384,0.56,1.0,0.9759098074155301,0.9464567198958262,0.8993729011034199,0.8928534713179357,0.928648224933178
EOS-2-15507,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cccc(F)c1,HGSGMQHWAGTAKT-UHFFFAOYSA-N,2,1,0.523,57,962,461.884,5.233,5,0.344,0.72,1.0,0.9510228908231101,0.9000753889383867,0.9259132341854568,0.9112380919745048,0.9220624014803646
EOS-2-15508,Oc1ccc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccn2)cc1,FRCXJFSFEQUZQI-UHFFFAOYSA-N,2,1,0.595,11,732,461.884,4.973,5,0.384,0.74,1.0,0.9494465766568433,0.92451682544034,0.8877818518264684,0.8956462888081694,0.9143478856829553
EOS-2-15509,Cc1nc(-c2ccccc2Cl)cc(-c2nnc3cncc(OCCc4ncccc4F)n23)n1,KIYAZKJXDSKUKS-UHFFFAOYSA-N,2,1,0.457,44,531,461.888,4.366,5,0.371,0.73,1.0,0.7056318963744774,0.7297649235830307,0.47606401206223015,0.5689551778493592,0.6201040024672744
EOS-2-15510,Cc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncccc1F,ONYJWPSHJSHMOQ-UHFFFAOYSA-N,2,1,0.438,18,429,461.888,4.366,5,0.371,0.69,1.0,0.8566153793434309,0.8189037763004592,0.5617075594544583,0.5996419025426633,0.7092171544102529
EOS-2-15511,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)cn1,UUXNCMWZXYXYRD-UHFFFAOYSA-N,2,1,0.602,35,4,461.888,4.366,5,0.347,0.7,1.0,0.9524878349667604,0.9613032006031115,0.7558340758001508,0.7315040093208142,0.8502822801727091
EOS-2-15512,CN(C)c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccncn1,UHVWQOYDWSXZCR-UHFFFAOYSA-N,2,1,0.472,13,209,461.888,4.899,5,0.368,0.72,1.0,0.6134603522719485,0.6530909464738538,0.8362346652045781,0.7315125762456308,0.7085746350490028
EOS-2-15513,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)nn1,VAAIXTZKRLZAQK-UHFFFAOYSA-N,2,1,0.554,84,672,461.888,4.366,5,0.371,0.64,1.0,0.8913285587005688,0.9453087519703927,0.6788516893975739,0.6904341717497087,0.8014807929545611
EOS-2-15514,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccc2F)c(C)n1,XTWZEPQIAMBISM-UHFFFAOYSA-N,2,1,0.506,16,253,461.888,4.632,5,0.352,0.67,1.0,0.9062435748063875,0.8878246864505517,0.7604002467274347,0.7155266945377288,0.8174988006305256
EOS-2-15515,Fc1ccc(CCCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc1Cl,DNRYIPNZNUBXGI-UHFFFAOYSA-N,2,1,0.489,35,846,461.888,4.447,5,0.261,0.67,1.0,0.9460540744294428,0.9441864848194093,0.5845041463916113,0.6294548009046672,0.7760498766362827
EOS-2-15516,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)c(C)n1,BNEHZNZSEFBWGT-UHFFFAOYSA-N,2,1,0.483,59,109,461.888,4.632,5,0.376,0.75,1.0,0.8236841203481599,0.8602306216160647,0.7103951065725447,0.6789287917209239,0.7683096600644232
EOS-2-15517,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccn2)cn1,JOAIESNKLAJVNL-UHFFFAOYSA-N,2,1,0.675,75,360,461.888,4.366,5,0.371,0.72,1.0,0.8950466040710027,0.8569666232609142,0.7235796038653964,0.7071996436159276,0.7956981187033103
EOS-2-15518,Cc1ccc(-c2ncccc2-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)nn1,DCUGDKCFWYGJEQ-UHFFFAOYSA-N,2,1,0.505,19,672,461.888,4.366,5,0.371,0.71,1.0,0.7886025632239051,0.8905232677678021,0.5973716674662464,0.6471283668014529,0.7309064663148517
EOS-2-15519,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)c(C)n1,NPXQZAKMZTWENY-UHFFFAOYSA-N,2,1,0.63,59,294,461.888,4.632,5,0.376,0.72,1.0,0.8931961483106025,0.8189123432252758,0.7364299910903982,0.6961654444520595,0.7861759817695841
EOS-2-15520,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc2F)n1,JJEYDWNPMHUXFK-UHFFFAOYSA-N,2,1,0.663,91,70,461.888,4.366,5,0.371,0.73,1.0,0.9713693372626961,0.9706497155780961,0.6733431567404564,0.687667055033925,0.8257573161537934
EOS-2-15521,Cc1cccnc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)c(F)c4)ncn3)n12,PKFXNRVEPMFKED-UHFFFAOYSA-N,2,1,0.468,44,130,461.888,4.366,5,0.371,0.75,0.998,0.7913696799396889,0.7868806113357549,0.6157562881228155,0.6471369337262696,0.7102858782811323
EOS-2-15522,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)c(C)n1,WZJBCXGNJHEAFR-UHFFFAOYSA-N,2,1,0.617,59,294,461.888,4.632,5,0.376,0.81,1.0,0.889675142210952,0.8905318346926188,0.7287711603042971,0.6904427386745254,0.7998552189705983
EOS-2-15523,CNCc1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,JDIOOXNXLZRVRX-UHFFFAOYSA-N,2,1,0.44,13,995,461.888,4.553,5,0.396,0.77,1.0,0.5707884997601261,0.5863032006031115,0.8327907614282777,0.8088804742649579,0.6996907340141183
EOS-2-15524,FCc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)ccn1,JAJAHFRCLRQXRJ-UHFFFAOYSA-N,2,1,0.521,35,76,461.888,4.388,5,0.332,0.69,1.0,0.8105253238297581,0.8717702693441163,0.659841683229388,0.6442327462134192,0.7465925056541703
EOS-2-15525,Fc1ccc(-c2cc(-c3nnc4cncc(OCCCc5cccc(Cl)n5)n34)ccn2)cn1,RLEQIGZZRYCSAY-UHFFFAOYSA-N,2,1,0.454,11,525,461.888,4.447,5,0.261,0.75,1.0,0.8288071413885272,0.8744431498869166,0.5554280035638407,0.6122010143238983,0.7177198272907958
EOS-2-15526,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)cn1,YWCRSCKMVUIJMY-UHFFFAOYSA-N,2,1,0.571,35,4,461.888,4.366,5,0.371,0.69,1.0,0.9467908299636763,0.9576451237063943,0.7536580768967172,0.7423069015146323,0.850100233020355
EOS-2-15527,CNCc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)ccn1,DPYKVULAICJEHX-UHFFFAOYSA-N,2,1,0.447,13,145,461.888,4.553,5,0.396,0.76,1.0,0.6631570831334385,0.662574532245905,0.7961671578370229,0.7725824138167363,0.7236202967582757
EOS-2-15528,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)nn1,FUDNSESKBKMQNX-UHFFFAOYSA-N,2,1,0.539,37,563,461.888,4.366,5,0.371,0.64,1.0,0.8803543280104174,0.9262816119525735,0.6513175930368035,0.6642450825851552,0.7805496538962374
EOS-2-15529,Cc1cc(F)cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n1,JRJWCFGZSAZRKM-UHFFFAOYSA-N,2,1,0.523,58,56,461.888,4.366,5,0.347,0.65,1.0,0.8966143513124529,0.9170721677746556,0.6571088342128709,0.6500582550887534,0.7802134020971832
EOS-2-15530,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)ccn2)cn1,JOEKXUUDCFBODH-UHFFFAOYSA-N,2,1,0.581,75,583,461.888,4.366,5,0.371,0.65,1.0,0.8183640600370091,0.8689431841546159,0.7029504489068604,0.7017510794325269,0.7730021931327531
EOS-2-15531,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2F)cn1,XYOTUEULLQBOSU-UHFFFAOYSA-N,2,1,0.607,84,73,461.888,4.366,5,0.371,0.6,1.0,0.6785518470289905,0.7392656432047152,0.6426221643478857,0.6671235693235557,0.6818908059762867
EOS-2-15532,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccc2F)cn1,VQINLAVEUCLEHQ-UHFFFAOYSA-N,2,1,0.527,87,494,461.888,4.366,5,0.371,0.66,1.0,0.9354910561304914,0.9529247481324103,0.7156037968610788,0.7181995750805291,0.8305547940511274
EOS-2-15533,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccn2)n1,BEZPTPMAIZBMNN-UHFFFAOYSA-N,2,1,0.588,75,749,461.888,4.366,5,0.371,0.68,1.0,0.8155969433212255,0.8189209101500925,0.665101775066822,0.6820385854293742,0.7454145534918785
EOS-2-15534,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccn1,LRUTVIYRBWOEMV-UHFFFAOYSA-N,2,1,0.452,13,110,461.888,5.099,5,0.359,0.63,1.0,0.5964721403604962,0.6969193338359263,0.597380234391063,0.5996504694674799,0.6226055445137414
EOS-2-15535,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)cn1,FVTBRMOQNOAPKX-UHFFFAOYSA-N,2,1,0.541,84,749,461.888,4.366,5,0.371,0.72,1.0,0.8983791378246865,0.9399972585840587,0.7053920224796107,0.6988811596189431,0.8106623946268248
EOS-2-15536,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccn2)cn1,LXKXNPVRNNRHOB-UHFFFAOYSA-N,2,1,0.696,84,360,461.888,4.366,5,0.371,0.74,1.0,0.9285946816530738,0.8905404016174354,0.7626704818038517,0.7342454252621479,0.8290127475841271
EOS-2-15537,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cc1F,RXGXPUWQQGMDKZ-UHFFFAOYSA-N,2,1,0.543,35,76,461.888,4.366,5,0.347,0.71,1.0,0.9310276883010075,0.9327753409636077,0.7182681104790625,0.6961740113768762,0.8195612877801384
EOS-2-15538,Fc1cc(-c2cc(-c3nnc4cncc(OCCCc5ccc(Cl)cn5)n34)ccn2)ccn1,BSHHSUXIUJPTPW-UHFFFAOYSA-N,2,1,0.453,75,278,461.888,4.447,5,0.261,0.65,1.0,0.8744174491124665,0.8407922692070454,0.5940905352614625,0.6442413131382358,0.7383853916798025
EOS-2-15539,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)n1,TZNZMCRSVYIXTE-UHFFFAOYSA-N,2,1,0.538,84,672,461.888,4.366,5,0.371,0.7,1.0,0.8858457268179014,0.9357994654238915,0.6869388664245083,0.6988897265437598,0.8018684463025152
EOS-2-15540,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)n1,ZLRPPASQMAGVGS-UHFFFAOYSA-N,2,1,0.557,35,426,461.888,4.366,5,0.347,0.63,1.0,0.9443064217668425,0.9453173188952094,0.7235881707902131,0.7209152902474127,0.8335318004249195
EOS-2-15541,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)cn1,UPRQKCVLXTYSMI-UHFFFAOYSA-N,2,1,0.576,35,494,461.888,4.366,5,0.347,0.67,1.0,0.9592899732711946,0.9698872592694127,0.7721455006510863,0.7498971969022,0.8628049825234735
EOS-2-15542,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)n1,XZCRHEXYUVHLAC-UHFFFAOYSA-N,2,1,0.538,84,672,461.888,4.366,5,0.371,0.66,1.0,0.8877818518264684,0.9387122198615585,0.6896545815913919,0.6935439654581591,0.8024231546843945
EOS-2-15543,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cn2)n1,MOWHNTIDHDWHTN-UHFFFAOYSA-N,2,1,0.573,84,524,461.888,4.366,5,0.371,0.61,1.0,0.8589627167431979,0.9262901788773902,0.6762730450277569,0.6820471523541909,0.785893273250634
EOS-2-15544,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)cn1,ZFEOQZHUDGFKRB-UHFFFAOYSA-N,2,1,0.567,84,672,461.888,4.366,5,0.371,0.75,1.0,0.8636916592419985,0.9441950517442259,0.6950603111507093,0.6961825783016928,0.7997824001096567
EOS-2-15545,Fc1ccc(-c2cc(-c3nnc4cncc(COCCc5cccc(Cl)n5)n34)ccn2)cn1,ZFMWANYDKYRCRJ-UHFFFAOYSA-N,2,1,0.371,14,525,461.888,4.195,5,0.265,0.74,1.0,0.37482866150366667,0.37945480090466727,0.6216760331711328,0.6613151942978548,0.5093186724693304
EOS-2-15546,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ncn2)cn1,ANTBUHHRSRJAAT-UHFFFAOYSA-N,2,1,0.464,44,130,461.888,4.366,5,0.371,0.7,0.995,0.8156055102460421,0.8035775478034405,0.70040607223631,0.7072082105407443,0.7566993352066342
EOS-2-15547,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)ccn2)n1,GRLIBZJRWUBNLQ-UHFFFAOYSA-N,2,1,0.605,75,166,461.888,4.366,5,0.371,0.73,1.0,0.8431910081557125,0.8477486121581796,0.645680556507436,0.6471455006510863,0.7459414193681037
EOS-2-15548,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(F)c2)nn1,DTUPKTPNKCLABF-UHFFFAOYSA-N,2,1,0.545,37,386,461.888,4.366,5,0.371,0.74,1.0,0.9286032485778904,0.9281063669385238,0.6925330683297923,0.7043297238023439,0.8133931019121377
EOS-2-15549,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)nc(C)n1,BZHKDYXIZFJCKZ-UHFFFAOYSA-N,2,1,0.625,59,294,461.888,4.632,5,0.376,0.73,1.0,0.9046501267904873,0.9092505654170379,0.7104036734973613,0.6759646357343568,0.8000672503598109
EOS-2-15550,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)cn1,CYHNUJFIYOOSQP-UHFFFAOYSA-N,2,1,0.57,18,308,461.888,4.366,5,0.371,0.65,1.0,0.7743043657048866,0.7345367007059146,0.7182766774038791,0.7043382907271606,0.7328640086354602
EOS-2-15551,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)cn1,PQSVTRDCQMQTSL-UHFFFAOYSA-N,2,1,0.568,84,749,461.888,4.366,5,0.371,0.72,1.0,0.867855184702899,0.9310448221506408,0.6651103419916387,0.6728548420259064,0.7842162977177712
EOS-2-15552,FCc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,ARBBBDYRWOSIIE-UHFFFAOYSA-N,2,1,0.474,18,367,461.888,4.388,5,0.355,0.64,1.0,0.6904770063737921,0.692053320540059,0.6006185319717634,0.6237406620519498,0.6517223802343911
EOS-2-15553,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ccncn1,DHJPOJGUOCGXDW-UHFFFAOYSA-N,2,1,0.547,44,294,461.888,4.577,5,0.365,0.73,0.992,0.7970238503186896,0.7655918031663355,0.667783222534439,0.672863408950723,0.7258155712425468
EOS-2-15554,Cc1ncncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,OTTYJLKUMLVDOT-UHFFFAOYSA-N,2,1,0.551,18,308,461.888,4.366,5,0.371,0.63,1.0,0.8027294222465904,0.7068741004728942,0.7626790487286683,0.7473870879309163,0.7549174148447673
EOS-2-15555,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)nn4)n23)n1,JBOHPEMDGZEJOK-UHFFFAOYSA-N,2,1,0.462,19,691,461.888,4.366,5,0.371,0.75,0.394,0.8105338907545747,0.8074926324446576,0.5973888013158797,0.6384243711877184,0.7134599239257076
EOS-2-15556,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)cn1,REJYZQOBHCIAPO-UHFFFAOYSA-N,2,1,0.533,84,672,461.888,4.366,5,0.371,0.76,1.0,0.9014632307586868,0.9507487492289768,0.7340912206154478,0.7233825645946131,0.8274214412994312
EOS-2-15557,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)n1,KVPLCHXDTNZHHP-UHFFFAOYSA-N,2,1,0.495,44,531,461.888,4.366,5,0.371,0.74,1.0,0.870099719004866,0.837322664656295,0.6037454595298472,0.6583767390857378,0.7423861455691865
EOS-2-15558,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cn1,OSMFTNOEZCAPNA-UHFFFAOYSA-N,2,1,0.57,18,308,461.888,4.366,5,0.371,0.7,1.0,0.7743129326297032,0.7297734905078473,0.7182852443286958,0.7043468576519772,0.7316796312795559
EOS-2-15559,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)n1,LSVYFNQSCPFWKH-UHFFFAOYSA-N,2,1,0.523,84,858,461.888,4.366,5,0.371,0.64,1.0,0.802737989171407,0.8189294770749092,0.7054005894044274,0.7209238571722295,0.7619979782057433
EOS-2-15560,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)n1,QNVUELSURXEUSC-UHFFFAOYSA-N,2,1,0.699,84,360,461.888,4.366,5,0.371,0.66,1.0,0.937512850387225,0.9453258858200261,0.7104122404221781,0.7017596463573436,0.8237526557466932
EOS-2-15561,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccn2)n1,LZGFZZANVBCMEX-UHFFFAOYSA-N,2,1,0.659,75,360,461.888,4.366,5,0.371,0.64,1.0,0.9031080803234871,0.8408008361318621,0.7182938112535124,0.707216777465561,0.7923548762936057
EOS-2-15562,Cc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccc(F)nc1,HVJQRLQJKXCQBS-UHFFFAOYSA-N,2,1,0.423,11,954,461.888,4.366,5,0.347,0.64,1.0,0.780018504557604,0.7783222534439038,0.5812144472620109,0.5938849290658625,0.6833600335823453
EOS-2-15563,FCc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cn1,XIXAEHQQWLNYCH-UHFFFAOYSA-N,2,1,0.554,35,76,461.888,4.388,5,0.332,0.63,1.0,0.852409019258447,0.8905489685422521,0.6540161743540539,0.6384329381125351,0.758851775066822
EOS-2-15564,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccn2)cn1,JZZAYQYPQOGLDY-UHFFFAOYSA-N,2,1,0.602,75,749,461.888,4.366,5,0.371,0.68,1.0,0.8131468028236584,0.8441505037351792,0.6733517236652731,0.6820557192790077,0.7531761873757795
EOS-2-15565,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2F)cn1,SGJXOFNXSUAGJZ-UHFFFAOYSA-N,2,1,0.583,35,494,461.888,4.366,5,0.347,0.72,1.0,0.9631536563635118,0.9663919539442122,0.7604088136522514,0.7395997532725653,0.8573885443081352
EOS-2-15566,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)cn1,PYPRMDQRUCWYAW-UHFFFAOYSA-N,2,1,0.489,18,181,461.888,4.366,5,0.371,0.7,1.0,0.7178226303885957,0.7114831060242616,0.6651189089164553,0.6759732026591735,0.6925994619971215
EOS-2-15567,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cn1,VHAAMQHSZCLQLT-UHFFFAOYSA-N,2,1,0.595,18,308,461.888,4.366,5,0.371,0.71,1.0,0.8183726269618258,0.752655746693167,0.7536666438215338,0.7315211431704476,0.7640540401617435
EOS-2-15568,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)cn1,RJWLVOYEDVBJDY-UHFFFAOYSA-N,2,1,0.473,18,181,461.888,4.366,5,0.371,0.65,1.0,0.7115516414227949,0.7526643136179837,0.695068878075526,0.6988982934685766,0.7145457816462204
EOS-2-15569,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)cn1,XZHKEGQNZWDDIQ-UHFFFAOYSA-N,2,1,0.534,35,426,461.888,4.366,5,0.371,0.7,1.0,0.9422674936604757,0.9414879035021588,0.7183023781783291,0.7209324240970462,0.8307475498595025
EOS-2-15570,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccc2Cl)n1,WKNJIHKPZSTZCN-UHFFFAOYSA-N,2,1,0.534,35,426,461.888,4.366,5,0.371,0.59,1.0,0.9299225549996574,0.9586731546843945,0.7287797272291139,0.739608320197382,0.839245939277637
EOS-2-15571,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2F)cn1,YORAJPOJAWYXOB-UHFFFAOYSA-N,2,1,0.563,35,426,461.888,4.366,5,0.347,0.71,1.0,0.9477160578438764,0.9453344527448427,0.7211465972174628,0.7072253443903777,0.8303556130491399
EOS-2-15572,CCc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cncc(Cl)c1,WDTQKEKTQBRJJD-UHFFFAOYSA-N,2,1,0.423,46,122,461.888,4.577,5,0.342,0.74,1.0,0.6417140703173189,0.6625830991707217,0.5617161263792749,0.587656774724145,0.6134175176478651
EOS-2-15573,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2)ccc1Cl,JAXWGVRHVXUVQK-UHFFFAOYSA-N,2,1,0.443,19,691,461.888,4.366,5,0.371,0.74,0.977,0.7942310328284559,0.8035861147282571,0.6484905078473031,0.6989068603933932,0.7363036289493523
EOS-2-15574,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnc(F)nc1,OYMHUTDVVHKTBB-UHFFFAOYSA-N,2,1,0.548,35,669,461.888,4.366,5,0.274,0.61,1.0,0.9233431567404564,0.9131228154341717,0.762687615653485,0.7209409910218628,0.830023644712494
EOS-2-15575,N#Cc1cnc(COc2cncc3nnc(-c4ccc(Oc5cccnc5)c(Cl)c4)n23)s1,MOZSMOFAZPRJIU-UHFFFAOYSA-N,2,1,0.558,4,214,461.894,4.539,5,0.362,0.71,1.0,0.6963196490987595,0.7912497429922555,0.6186776094852992,0.6179579878006991,0.6810512473442533
EOS-2-15576,N#Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)n1,SBRHEGKJCOSDQD-UHFFFAOYSA-N,2,1,0.396,31,296,461.898,3.246,5,0.374,0.55,0.993,0.7178311973134124,0.6820642862038243,0.27116887122198613,0.3255003084092934,0.4991411657871291
EOS-2-15577,Cn1cc(-c2ccc(-c3nnc(-c4ccc(-c5nnc6cncc(Cl)n56)cc4)o3)s2)nn1,AREXWKSFXQKNFY-UHFFFAOYSA-N,2,1,0.5,98,865,461.898,4.019,6,0.387,0.58,1.0,0.16613837296963882,0.2916009869097389,0.17022479610718935,0.22942224659036392,0.21434660064423275
EOS-2-15578,COc1cc(-c2nnc3cncc(-c4ccc(-c5c(C)noc5C)cc4OC)n23)ccc1Cl,KADSVAQYGAIGCN-UHFFFAOYSA-N,2,1,0.34,96,697,461.909,5.401,5,0.346,0.78,1.0,0.40790555822082103,0.43543108765677474,0.7364385580152149,0.5938934959906792,0.5434171749708725
EOS-2-15579,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnn(C)c1,MMAWGCIMPOFBNS-UHFFFAOYSA-N,2,1,0.54,15,669,461.913,3.87,5,0.34,0.71,1.0,0.5876225070248784,0.5910578438763622,0.6331557124254678,0.5128075526009184,0.5811609039819067
EOS-2-15580,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cn(C)nc1C,OAWRJBLCMJWQBQ-UHFFFAOYSA-N,2,1,0.467,16,83,461.913,4.136,5,0.351,0.69,1.0,0.4584932492632445,0.4703498732095127,0.6186861764101158,0.4717377150298129,0.5048167534781715
EOS-2-15581,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccn(C)n1,FOFRFDOTVJHVRR-UHFFFAOYSA-N,2,1,0.528,15,669,461.913,3.87,5,0.34,0.73,1.0,0.6216588993214995,0.5810002741415942,0.565271400178192,0.44966074977725995,0.5543978308546365
EOS-2-15582,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cnn(C)c1,OKPGNHIAXQTXEK-UHFFFAOYSA-N,2,1,0.526,35,619,461.913,3.87,5,0.363,0.64,1.0,0.5906209307107121,0.5863117675279281,0.630208690288534,0.5295216229182372,0.5841657528613529
EOS-2-15583,COc1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1nccn1C,SQQDOLUYOFYKEX-UHFFFAOYSA-N,2,1,0.568,49,551,461.913,3.87,5,0.363,0.75,1.0,0.5936707559454458,0.4571225412925776,0.33407580015077787,0.3103111507093414,0.42379506202453565
EOS-2-15584,OCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cn1,LUXWIMUCGPMUHL-UHFFFAOYSA-N,2,1,0.558,15,519,461.913,3.317,5,0.353,0.7,1.0,0.5153776300459187,0.542757521759989,0.5110598999383181,0.4959735453361661,0.516292149270098
EOS-2-15585,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1nncn1C,RQPVCQSLVLQKSN-UHFFFAOYSA-N,2,1,0.692,91,309,461.913,3.87,5,0.363,0.74,1.0,0.6874700157631417,0.6285038722500171,0.5182903844835858,0.4686279213213625,0.5757230484545268
EOS-2-15586,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cncn1C,IHMFQHFIRWNXTB-UHFFFAOYSA-N,2,1,0.495,15,771,461.913,3.87,5,0.34,0.77,1.0,0.7056404632992941,0.5661366595846755,0.5147094099102186,0.42449112466588995,0.5527444143650195
EOS-2-15587,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1OC,QAFBBKRNRVLJKB-UHFFFAOYSA-N,2,1,0.458,16,591,461.913,4.311,5,0.356,0.69,1.0,0.6163131382358988,0.49242683846206564,0.6157648550476321,0.4989034336234665,0.5558520663422657
EOS-2-15588,COc1cc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)n5C)c4)n23)ccc1Cl,GRMUWMWFZDRBSO-UHFFFAOYSA-N,2,1,0.535,43,250,461.913,4.136,5,0.375,0.76,1.0,0.6506750736755534,0.7020166541018436,0.4555290932766774,0.40503563840723733,0.553314114865328
EOS-2-15589,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cnn(C)c1,JGNMTBBZZUIXMH-UHFFFAOYSA-N,2,1,0.505,15,771,461.913,3.87,5,0.34,0.65,1.0,0.5816941950517442,0.5863203344527449,0.545130559934206,0.4466280583921596,0.5399432869577137
EOS-2-15590,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccn(C)n1,CBXHIEOOYXMFDK-UHFFFAOYSA-N,2,1,0.522,15,729,461.913,3.87,5,0.34,0.72,1.0,0.6506836406003701,0.5706000274141594,0.5780960866287438,0.4654324583647454,0.5662030532520047
EOS-2-15591,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1nccn1C,NITGXVGAXFUWTH-UHFFFAOYSA-N,2,1,0.538,15,771,461.913,3.87,5,0.363,0.68,1.0,0.714721403604962,0.570608594338976,0.4519738194777603,0.3705794667945994,0.5269708210540744
EOS-2-15592,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cnc(C)n1C,SPAVAJROWLZIBW-UHFFFAOYSA-N,2,1,0.478,16,591,461.913,4.136,5,0.375,0.68,1.0,0.6785604139538072,0.5019532588582003,0.5751918991158934,0.44325269001439244,0.5497395654855733
EOS-2-15593,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4OC)n23)cc1,XUSYRZNSHHUPHU-UHFFFAOYSA-N,2,1,0.545,43,520,461.913,4.311,5,0.356,0.65,1.0,0.6814817353162909,0.6530995133986705,0.5283650880679871,0.4624083339044617,0.5813386676718525
EOS-2-15594,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccnn1C,ARLSMPMYEHMUTB-UHFFFAOYSA-N,2,1,0.547,15,729,461.913,3.87,5,0.34,0.72,1.0,0.5992221232266466,0.49243540538688235,0.5940991021862793,0.477640326228497,0.5408492392570764
EOS-2-15595,COc1ccc(-c2cn(C)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)c(C)c3)n12,CSHAPOHLGGXNPF-UHFFFAOYSA-N,2,1,0.489,43,250,461.913,4.136,5,0.375,0.73,1.0,0.4903964772805154,0.6049790967034473,0.6733602905900897,0.5623843465149749,0.5827800527722569
EOS-2-15596,OCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)cn1,JQGFWFWSWZZVFM-UHFFFAOYSA-N,2,1,0.5,15,519,461.913,3.317,5,0.353,0.67,1.0,0.5129617572476184,0.5291104105270372,0.4188112535124392,0.4308049482557741,0.47292209238571725
EOS-2-15597,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccnn1C,LYHAEHCSECZLPG-UHFFFAOYSA-N,2,1,0.54,15,669,461.913,3.87,5,0.34,0.74,1.0,0.5817027619765609,0.501961825783017,0.5812230141868275,0.46544102528956205,0.5325821568089919
EOS-2-15598,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cn(C)nn1,FEVLIFFZQYMYGB-UHFFFAOYSA-N,2,1,0.655,91,309,461.913,3.87,5,0.363,0.79,1.0,0.5412925776163389,0.619482900418066,0.5554365704886574,0.5059711465972174,0.5555457987800698
EOS-2-15599,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccnn1C,NCOQUUZUQSZBHF-UHFFFAOYSA-N,2,1,0.538,15,771,461.913,3.87,5,0.363,0.65,1.0,0.6078404495922144,0.519935234048386,0.5213659104927695,0.42778939072030703,0.5192327462134192
EOS-2-15600,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccnn1C,JGFLQASKIGYKGZ-UHFFFAOYSA-N,2,1,0.553,15,619,461.913,3.87,5,0.363,0.73,1.0,0.5734870810773764,0.4791652388458639,0.5781046535535604,0.4776488931533137,0.5271014666575287
EOS-2-15601,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ccn(C)n1,CJTWOXCGNWPSFE-UHFFFAOYSA-N,2,1,0.527,15,771,461.913,3.87,5,0.363,0.7,1.0,0.6163217051607155,0.6147539579192653,0.5110684668631348,0.4277979576451237,0.5424855218970598
EOS-2-15602,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1O,NBYSWNWLFJHEPX-UHFFFAOYSA-N,2,1,0.49,26,563,461.913,4.05,5,0.39,0.57,0.999,0.6216674662463162,0.5810088410664108,0.4760725789870468,0.44005722705777534,0.5297015283393873
EOS-2-15603,COc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C)ccc1Cl,NWUVIQSVUKIKIM-UHFFFAOYSA-N,2,1,0.485,95,493,461.913,3.87,5,0.363,0.75,1.0,0.372395654855733,0.3459495579466795,0.5283736549928038,0.46863648824617915,0.4288388390103488
EOS-2-15604,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nccn1C,DIFKTHNJDHLSAH-UHFFFAOYSA-N,2,1,0.528,15,604,461.913,3.87,5,0.34,0.69,1.0,0.7451853882530327,0.538217051607155,0.5248012473442533,0.42156123637858955,0.5574412308957577
EOS-2-15605,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cnn(C)c1,DKAKXOHDVRCRNV-UHFFFAOYSA-N,2,1,0.534,15,729,461.913,3.87,5,0.34,0.66,1.0,0.6163302720855321,0.5863289013775616,0.6456891234322527,0.5295301898430539,0.5944696216846002
EOS-2-15606,COc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cnn(C)c4)nc3)n12,ITGAGBSXZNPSRV-UHFFFAOYSA-N,2,1,0.521,84,468,461.913,3.87,5,0.363,0.76,1.0,0.5336594476046879,0.5863374683023782,0.5941076691110959,0.4867726680830649,0.5502193132753068
EOS-2-15607,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nccn1C,USWZOUCTTXINFJ-UHFFFAOYSA-N,2,1,0.534,15,604,461.913,3.87,5,0.34,0.72,1.0,0.7115602083476116,0.5335909122061545,0.5110770337879514,0.40849667603317114,0.5411812075937221
EOS-2-15608,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cncn1C,HDOJRVDAWQOQFZ-UHFFFAOYSA-N,2,1,0.522,15,669,461.913,3.87,5,0.34,0.75,1.0,0.717839764238229,0.5245699403742032,0.6068723870879309,0.4897539579192653,0.5847590124049071
EOS-2-15609,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nccn1C,CJXBXHVJSCSDDN-UHFFFAOYSA-N,2,1,0.521,35,604,461.913,3.87,5,0.363,0.73,1.0,0.6904855732986087,0.5382256185319718,0.507658830786101,0.4215698033034062,0.5394849564800219
EOS-2-15610,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1ncnn1C,YBPKWLAIWHREBK-UHFFFAOYSA-N,2,1,0.684,91,309,461.913,3.87,5,0.363,0.73,1.0,0.6785689808786238,0.6194914673428826,0.5076673977109177,0.45288191350832707,0.5646524398601878
EOS-2-15611,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cncn1C,UUQPHFPGYFUEMY-UHFFFAOYSA-N,2,1,0.516,15,729,461.913,3.87,5,0.34,0.68,1.0,0.7743214995545199,0.5335994791309712,0.6186947433349325,0.5027071482420671,0.6073307175656226
EOS-2-15612,COc1cc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,NYJBTVKELHKHLR-UHFFFAOYSA-N,2,1,0.484,15,771,461.913,3.87,5,0.34,0.72,1.0,0.47319409224864645,0.4526934411623604,0.5283822219176204,0.43408608046055785,0.4720889589472963
EOS-2-15613,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1ncnn1C,WDPHVPKTMRDQOX-UHFFFAOYSA-N,2,1,0.663,91,309,461.913,3.87,5,0.363,0.77,1.0,0.6105475978342814,0.5568415461585909,0.49016517031046536,0.44663662531697623,0.5260477349050785
EOS-2-15614,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)c1,LHDXIWBDXHKNKR-UHFFFAOYSA-N,2,1,0.344,64,885,461.916,5.631,6,0.338,0.74,1.0,0.18560242615310807,0.28078096086628745,0.6733688575149065,0.7866578712905216,0.4816025289562059
EOS-2-15615,Clc1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nc2)ccn1,WJUDKWGFAIIPDN-UHFFFAOYSA-N,2,1,0.333,30,371,461.916,5.631,6,0.316,0.7,1.0,0.2463247892536495,0.3218336645877596,0.7287882941539305,0.8003478171475568,0.5243236412857241
EOS-2-15616,Clc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)cn1,KROASAONOGLEOV-UHFFFAOYSA-N,2,1,0.333,69,220,461.916,5.631,6,0.316,0.68,1.0,0.23822904530189842,0.3310002741415941,0.789767664998972,0.8295438969227606,0.5471352203413062
EOS-2-15617,Clc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc(-c2ccncc2)n1,FQVYQBDSNWORIW-UHFFFAOYSA-N,2,1,0.394,93,651,461.916,5.631,6,0.316,0.69,1.0,0.29483928449043934,0.3555445137413474,0.7183109451031457,0.7891679802618052,0.5394656808991845
EOS-2-15618,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)nn1,PWPGBZSYSHKLSE-UHFFFAOYSA-N,2,1,0.389,93,220,461.916,5.631,6,0.338,0.79,1.0,0.25422349393461724,0.3358834212870948,0.7697895963265027,0.8195291618120759,0.5448564183400726
EOS-2-15619,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,WWOHBUCMPNZXJO-UHFFFAOYSA-N,2,1,0.352,69,645,461.916,5.631,6,0.316,0.77,1.0,0.2271948461380303,0.36992838050853266,0.8877904187512851,0.9044188198204373,0.5973331163045713
EOS-2-15620,Clc1ccc(-c2cnncc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,BLQFBSNGKMWGDQ-UHFFFAOYSA-N,2,1,0.382,69,484,461.916,5.631,6,0.338,0.7,1.0,0.2837451168528545,0.44398944554862585,0.8441419368103625,0.8874220409841683,0.6148246350490029
EOS-2-15621,Clc1ccccc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1,LYJUQIJFHDMBNS-UHFFFAOYSA-N,2,1,0.351,30,737,461.916,5.631,6,0.338,0.69,1.0,0.2159636077033788,0.32184223151257624,0.7235967377150299,0.8272993626207936,0.5221754848879446
EOS-2-15622,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cn1,PHUJQDJGOVXCJG-UHFFFAOYSA-N,2,1,0.366,30,93,461.916,5.631,6,0.316,0.8,1.0,0.21335069563429512,0.3794633678294839,0.7857669111095881,0.8273079295456103,0.5514722260297444
EOS-2-15623,Clc1ccc(-c2nnc3cncc(-c4cccc(-c5cnc(-c6ccccc6)nn5)c4)n23)cc1,OGPJADPGHNAAMJ-UHFFFAOYSA-N,2,1,0.429,93,220,461.916,5.631,6,0.338,0.82,1.0,0.3355064765951614,0.5863460352271949,0.7364471249400315,0.8234870810773764,0.620446679459941
EOS-2-15624,Clc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cc3)n12,YGJWXUCMFQJSSI-UHFFFAOYSA-N,2,1,0.342,69,696,461.916,5.631,6,0.338,0.79,1.0,0.2189106298403125,0.40324515112055376,0.8538910972517305,0.8832156808991845,0.5898156397779453
EOS-2-15625,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)n1,SICZWFGANZPQKL-UHFFFAOYSA-N,2,1,0.347,69,645,461.916,5.631,6,0.316,0.78,1.0,0.2542320608594339,0.37477725995476663,0.8538996641765472,0.8775957782194503,0.5901261908025495
EOS-2-15626,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,HWFDQESKOPAUGR-UHFFFAOYSA-N,2,1,0.352,69,645,461.916,5.631,6,0.316,0.77,1.0,0.22720341306284697,0.3699369474333493,0.8877989856761017,0.9044273867452539,0.597341683229388
EOS-2-15627,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)c1,VCFPXMNFYUGBDT-UHFFFAOYSA-N,2,1,0.39,69,696,461.916,5.631,6,0.338,0.79,1.0,0.2299019943800973,0.412651634569255,0.8614556918648482,0.8956548557329861,0.5999160441367967
EOS-2-15628,Clc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)c2)cc1,UYSGLSYLMKUFRQ-UHFFFAOYSA-N,2,1,0.397,69,30,461.916,5.631,6,0.338,0.77,1.0,0.27805667877458706,0.44399801247344256,0.8641971078061819,0.8941984785141526,0.620112569392091
EOS-2-15629,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,BDOBDQDHABFBBZ-UHFFFAOYSA-N,2,1,0.373,69,696,461.916,5.631,6,0.338,0.78,1.0,0.26497498457953533,0.4173377424439723,0.8598965115482147,0.8956634226578027,0.6094681653073812
EOS-2-15630,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cc2)cc1,BJGAGBFSKLKXLD-UHFFFAOYSA-N,2,1,0.426,69,479,461.916,5.631,6,0.338,0.72,1.0,0.28090946473853745,0.46595504077856215,0.834435610993078,0.8735521897059831,0.6137130765540402
EOS-2-15631,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1,ZTEYOHDMVXULIZ-UHFFFAOYSA-N,2,1,0.389,69,479,461.916,5.631,6,0.338,0.73,1.0,0.2728822561853197,0.4217754094990062,0.8254403399355768,0.8688403810568158,0.5972345966691797
EOS-2-15632,Clc1cc(-c2cncnc2)nc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,GYEFEGSQXVHBGX-UHFFFAOYSA-N,2,1,0.375,93,651,461.916,5.631,6,0.338,0.76,1.0,0.2189191967651292,0.36994551435816597,0.8007076279898567,0.8573692687272977,0.5617354019601124
EOS-2-15633,Clc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,DTRUIZKWUKOSSX-UHFFFAOYSA-N,2,1,0.329,69,696,461.916,5.631,6,0.338,0.76,1.0,0.25671646905626755,0.40791412514563774,0.8628521006099651,0.887430607908985,0.6037283256802138
EOS-2-15634,CCCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)cn1,BHCKKWWZHRACKO-UHFFFAOYSA-N,2,1,0.408,31,194,461.917,3.525,5,0.323,0.67,1.0,0.28640943047083817,0.19993489137139334,0.15756288122815434,0.1669693646768556,0.20271914193681037
EOS-2-15635,CCn1c(C)nnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,OSZNNUOMLPTETP-UHFFFAOYSA-N,2,1,0.49,87,579,461.917,3.443,5,0.362,0.72,0.976,0.4469536015351929,0.492443972311699,0.05039065177164005,0.0787728736892605,0.26714027482694813
EOS-2-15636,CC(C)n1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,DLYKIKXHQGOFAD-UHFFFAOYSA-N,2,1,0.446,58,779,461.917,3.696,5,0.361,0.73,0.944,0.4657323007333288,0.4879377698581317,0.2677249674456857,0.20879309163182783,0.3575470324172435
EOS-2-15637,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)c(C)n1,LFZMWQUUFFPFCV-UHFFFAOYSA-N,2,1,0.458,31,602,461.917,3.443,5,0.362,0.71,1.0,0.4216040710026729,0.3889897882256185,0.09993317798642999,0.10331711328901377,0.2534610376259338
EOS-2-15638,Cc1nc(-c2ccnc(-c3nnc4cncc(OCCCc5ccc(Cl)cn5)n34)c2)n(C)n1,COUOPMKPGXKGBL-UHFFFAOYSA-N,2,1,0.398,31,544,461.917,3.35,5,0.339,0.71,0.999,0.46574086765814543,0.3889983551504352,0.0597714344458913,0.08381022548146118,0.24958022068398328
EOS-2-15639,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)n(C(C)C)n1,SGWOQHKTKYQSTL-UHFFFAOYSA-N,2,1,0.462,92,45,461.917,3.962,5,0.373,0.69,0.997,0.4146134603522719,0.43063360975944076,0.13618840381056815,0.11695565759714893,0.2745977828798575
EOS-2-15640,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)ncn2)c(C)n1,PGOAUPDGTOQOAD-UHFFFAOYSA-N,2,1,0.402,31,194,461.917,3.443,5,0.339,0.6,0.941,0.33788808169419504,0.2452624905763827,0.12719313275306696,0.13240182304160097,0.21068638201631143
EOS-2-15641,CNCc1cncc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4Cl)n23)n1,YVABGBBCWRXJAK-UHFFFAOYSA-N,2,1,0.417,7,815,461.917,2.934,5,0.394,0.7,1.0,0.39292200671646904,0.3840466726064012,0.3264683709135769,0.2912754437667055,0.3486781235007882
EOS-2-15642,CC(C)n1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)cn1,CDJPBYWYSPVGJS-UHFFFAOYSA-N,2,1,0.469,65,981,461.917,3.696,5,0.337,0.76,0.628,0.5760914262216434,0.5245785072990199,0.3340843670755945,0.23513638544308135,0.4174726715098348
EOS-2-15643,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)c(C)n1,XJXZMIVVDIXWSE-UHFFFAOYSA-N,2,1,0.443,20,279,461.917,3.443,5,0.362,0.61,1.0,0.37721883352751695,0.3555530806661641,0.10244328695771365,0.1053303406209307,0.23513638544308135
EOS-2-15644,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)c(C)n1,IRWCNNSUFGBTFF-UHFFFAOYSA-N,2,1,0.416,31,194,461.917,3.443,5,0.339,0.6,1.0,0.32284456171612635,0.23452813378109794,0.15436741827153724,0.15128332533753683,0.21575585977657458
EOS-2-15645,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)c1C#N,GOGHRFDZVOMSND-UHFFFAOYSA-N,2,1,0.479,15,561,461.938,4.4,5,0.372,0.7,1.0,0.8678637516277157,0.7912583099170721,0.5147179768350353,0.533111164416421,0.676737800699061
EOS-2-15646,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccs6)s5)n34)n2)cc1,REOIDJSNKHLHPH-UHFFFAOYSA-N,2,1,0.31,76,871,461.963,5.482,6,0.347,0.67,0.928,0.003992186964567199,0.0494739908162566,0.3674611061613323,0.5361695565759715,0.23927421012953193
EOS-2-15647,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)s5)n34)nn2)cc1,SALBWENYNOJQHS-UHFFFAOYSA-N,2,1,0.297,76,37,461.963,5.482,6,0.347,0.68,0.998,0.0026643136179836887,0.024766979644986635,0.444760468782126,0.6089198821191145,0.2702779110410527
EOS-2-15648,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)cn2)n1,LVWQSGCMPRTKOT-UHFFFAOYSA-N,2,1,0.267,70,664,461.963,5.482,6,0.325,0.66,0.705,0.004000753889383867,0.01689397573846892,0.4729713522034131,0.584666917963128,0.26963324994859844
EOS-2-15649,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)n1,WTVJEISZPNFTCD-UHFFFAOYSA-N,2,1,0.564,15,438,437.916,3.923,5,0.4,0.58,1.0,0.5261034199163868,0.5863546021520115,0.33409293400041123,0.3611644164210815,0.4519288431224728
EOS-2-15650,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)s5)n(C)n4)n23)ccn1,MACZMKWWYXQPRN-UHFFFAOYSA-N,2,1,0.418,95,694,437.916,4.189,5,0.41,0.68,1.0,0.26757932972380233,0.3066273730381742,0.34475018847234595,0.344801590021246,0.3159396203138921
EOS-2-15651,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)nc2)n1,OHGBFAAQXJTWFR-UHFFFAOYSA-N,2,1,0.449,31,773,437.916,3.923,5,0.4,0.62,1.0,0.4756527996710301,0.5019703927078336,0.367469673086149,0.377321636625317,0.4306036255225824
EOS-2-15652,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)nn1,IBXOEDTWGFUSFS-UHFFFAOYSA-N,2,1,0.505,15,561,437.916,3.923,5,0.4,0.75,1.0,0.5261119868412035,0.6238091974504831,0.3447587553971626,0.39011205537660204,0.47119799876636287
EOS-2-15653,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,RBJGSWYHZFTTDQ-UHFFFAOYSA-N,2,1,0.477,92,36,437.916,4.364,5,0.392,0.71,1.0,0.2567250359810842,0.3699540812829827,0.4411623603591255,0.4308135151805908,0.3746637482009458
EOS-2-15654,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)n1,AEMZVNSGCLSVGM-UHFFFAOYSA-N,2,1,0.489,58,954,437.916,3.923,5,0.4,0.67,1.0,0.5906294976355287,0.6870930710712083,0.3192807209923926,0.3320454389692276,0.48226218216708927
EOS-2-15655,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ccn2)cn1,OFBQRPRBGVQILU-UHFFFAOYSA-N,2,1,0.538,75,329,437.916,3.923,5,0.4,0.68,1.0,0.47566136659584674,0.49245253923651566,0.45198238640257693,0.4466451922417929,0.46668537111918307
EOS-2-15656,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,QKGLHRWZEMPBEH-UHFFFAOYSA-N,2,1,0.483,87,184,437.916,3.923,5,0.4,0.67,1.0,0.6274330066479337,0.5757316153793435,0.31928928791720923,0.34808272222602976,0.4676341580426291
EOS-2-15657,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)c1,LUQCVPXMKMNCDZ-UHFFFAOYSA-N,2,1,0.396,46,211,437.916,4.364,5,0.392,0.7,1.0,0.40791412514563774,0.34595812487149613,0.44476903570694265,0.4244996915907066,0.4057852443286958
EOS-2-15658,Cn1nc(-c2nnc3cncc(OCCc4cccs4)n23)cc1-c1cncc(Cl)c1,VEIWJKAYJNLULF-UHFFFAOYSA-N,2,1,0.522,95,235,437.916,3.923,5,0.4,0.75,0.998,0.48048454526763074,0.4306421766842574,0.2754009320814201,0.3480912891508464,0.3836547357960387
EOS-2-15659,Cn1ncc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1-c1ccccn1,FKGIEZKSGSRYQI-UHFFFAOYSA-N,2,1,0.511,58,954,437.916,3.923,5,0.4,0.71,1.0,0.5360838873278048,0.510545884449318,0.20015763141662668,0.2706377218833528,0.37935628126927556
EOS-2-15660,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)c1,WHVIXDFRPRFMHM-UHFFFAOYSA-N,2,1,0.557,15,931,437.916,3.923,5,0.4,0.58,1.0,0.5205092180111027,0.5291189774518539,0.3341015009252279,0.3740148036460832,0.439436125008567
EOS-2-15661,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)c(Cl)c2)n1,FYWJAJDBRFAWTM-UHFFFAOYSA-N,2,1,0.588,37,563,437.916,3.923,5,0.4,0.74,1.0,0.565091494757042,0.687101637996025,0.2972380234391063,0.3384877664313618,0.4719797306558837
EOS-2-15662,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5sccc5Cl)n34)c2)cn1,KHTFRQJPHWUGSQ-UHFFFAOYSA-N,2,1,0.477,92,36,437.916,4.364,5,0.392,0.74,1.0,0.2809180316633541,0.3890069220752519,0.4263501473511068,0.4370845041463916,0.3833399013090261
EOS-2-15663,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)ccn1,CQELWMMXMBDDGG-UHFFFAOYSA-N,2,1,0.531,75,359,437.916,3.923,5,0.4,0.6,1.0,0.5516499897196903,0.5245870742238367,0.31557124254677543,0.33849633335617846,0.43257615996162013
EOS-2-15664,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)c1,HOIXAAUCVGQIRL-UHFFFAOYSA-N,2,1,0.537,15,438,437.916,3.923,5,0.4,0.59,1.0,0.5004797477897334,0.5336080460557878,0.4045987252415873,0.44665375916660954,0.4713350695634295
EOS-2-15665,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)s4)n23)cc1,BMAODLWDAJYFSB-UHFFFAOYSA-N,2,1,0.55,4,22,437.916,4.189,5,0.41,0.68,1.0,0.4014546638338702,0.5199438009732027,0.3192978548420259,0.3037660201494072,0.3861155849496265
EOS-2-15666,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,QWZRLNNJIYDBPJ-UHFFFAOYSA-N,2,1,0.484,58,510,437.916,3.923,5,0.4,0.78,1.0,0.6904941402234254,0.6625916660955383,0.35624700157631417,0.37058803371941607,0.5199802104036735
EOS-2-15667,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,RKBVVNGFOBALAQ-UHFFFAOYSA-N,2,1,0.424,92,711,437.916,4.364,5,0.392,0.73,1.0,0.22145500651086286,0.28625522582413815,0.37911212391200055,0.37733020355013364,0.3160381399492838
EOS-2-15668,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,KZVSWPWCXFAXMF-UHFFFAOYSA-N,2,1,0.477,92,36,437.916,4.189,5,0.41,0.69,1.0,0.342608457268179,0.43960318004249194,0.44117092728394214,0.4085052429579878,0.4079719518881502
EOS-2-15669,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5scnc5Cl)n34)c2)n1,DMORXHUDGILULJ-UHFFFAOYSA-N,2,1,0.543,15,438,437.916,3.923,5,0.4,0.65,1.0,0.5179734082653691,0.6480021931327531,0.2639726543759852,0.31031971763415805,0.4350669933520664
EOS-2-15670,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)cn1,VMSNEEJVBWPSFZ-UHFFFAOYSA-N,2,1,0.433,18,711,437.916,3.923,5,0.4,0.63,1.0,0.4238400383798232,0.39353025837845246,0.44117949420875885,0.4466623260914262,0.42630302926461516
EOS-2-15671,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ccn2)c1,RISYJUSISNHMGU-UHFFFAOYSA-N,2,1,0.531,75,359,437.916,3.923,5,0.4,0.63,1.0,0.6134689191967652,0.5863631690768282,0.39371873072441915,0.40214858474402027,0.4989248509355082
EOS-2-15672,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ns5)n34)cc2)cn1,KBILOKCUZUFGAT-UHFFFAOYSA-N,2,1,0.57,15,519,437.916,3.923,5,0.4,0.63,1.0,0.5516585566445069,0.729782057432664,0.3562555685011308,0.3865996162017682,0.5060739496950175
EOS-2-15673,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4csc(Cl)c4)n23)nc1,QMMMGTJXHXFYNU-UHFFFAOYSA-N,2,1,0.429,31,773,437.916,3.923,5,0.4,0.69,1.0,0.5760999931464601,0.5245956411486533,0.4227177712288397,0.41802309642930574,0.48535912548831467
EOS-2-15674,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccn1,KWDDCZLCQWUEBC-UHFFFAOYSA-N,2,1,0.517,75,819,437.916,3.923,5,0.4,0.77,1.0,0.6417226372421355,0.5757401823041601,0.3674782400109657,0.3803286272359674,0.49131742169830717
EOS-2-15675,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)cn2)cn1,SPQDVFGJIZJKJY-UHFFFAOYSA-N,2,1,0.456,92,468,437.916,4.364,5,0.392,0.7,1.0,0.36784661777808236,0.45270200808717703,0.4297940511274073,0.40851380988280445,0.4147141217188678
EOS-2-15676,Cn1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)c1,JLLNGLMXVXIIIB-UHFFFAOYSA-N,2,1,0.467,87,227,437.916,3.923,5,0.4,0.64,1.0,0.6662069083681722,0.604987663628264,0.4010006168185868,0.40852237680762116,0.520179391405661
EOS-2-15677,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,BSPRYDLSLFMYGH-UHFFFAOYSA-N,2,1,0.547,15,475,437.916,3.923,5,0.4,0.65,1.0,0.6963282160235762,0.7252244534301967,0.37525700774450005,0.41490473579603865,0.552928603248578
EOS-2-15678,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)cc2)n1,BUDHPFPFMSYZLC-UHFFFAOYSA-N,2,1,0.535,15,889,437.916,3.923,5,0.4,0.64,1.0,0.6216760331711328,0.696927900760743,0.27117743814680284,0.3103282845589747,0.47502741415941335
EOS-2-15679,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)n1,NWJBOBFPCMTGRN-UHFFFAOYSA-N,2,1,0.473,87,227,437.916,3.923,5,0.4,0.68,1.0,0.5205177849359194,0.5616218902062915,0.3827273661846344,0.3929562744157357,0.46445582893564524
EOS-2-15680,Cc1cc(-c2nnc3cncc(OCc4nc(-c5cccs5)nn4C)n23)ccc1Cl,GGVZLNBYSLJXAF-UHFFFAOYSA-N,2,1,0.483,36,404,437.916,4.189,5,0.41,0.76,0.993,0.45850181618806113,0.682072853128641,0.16711500239873894,0.2439346172297992,0.38790607223631
EOS-2-15681,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)c(Cl)c2)n1,ZBEYBXBEBRQVEN-UHFFFAOYSA-N,2,1,0.614,37,563,437.916,3.923,5,0.4,0.71,1.0,0.7147299705297786,0.7868891782605716,0.3045627441573573,0.34481015694606265,0.5377480124734425
EOS-2-15682,CCn1ccnc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,SPWIGPVDPCGTAJ-UHFFFAOYSA-N,2,1,0.461,2,36,437.916,4.364,5,0.392,0.67,1.0,0.4079226920704544,0.4527105750119937,0.34108354465081214,0.34809985607566307,0.3874541669522309
EOS-2-15683,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,QQJZYWYWDDMEPC-UHFFFAOYSA-N,2,1,0.506,36,931,437.916,4.364,5,0.392,0.68,1.0,0.340261119868412,0.4396117469673086,0.24977725995476663,0.30062195874169007,0.3325680213830443
EOS-2-15684,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cn1,RGNIIIMXTALYER-UHFFFAOYSA-N,2,1,0.489,87,468,437.916,3.923,5,0.4,0.76,1.0,0.5387824686450552,0.6426735658967857,0.38999211842916864,0.39591186347748614,0.49184000411212386
EOS-2-15685,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)c1,MYXFTBJRKQBNSQ-UHFFFAOYSA-N,2,1,0.489,58,510,437.916,3.923,5,0.4,0.76,1.0,0.7359673771502981,0.7609999314646014,0.33733123158111167,0.3513124528819135,0.5464027482694812
EOS-2-15686,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ccc(Cl)s1,XJWRSLSBFJPNMC-UHFFFAOYSA-N,2,1,0.511,95,477,437.916,3.923,5,0.4,0.68,0.992,0.37240422178054966,0.3459666917963128,0.20016619834144336,0.2586954286889178,0.29430813515180587
EOS-2-15687,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5scnc5Cl)n34)c2)c1,BILXQAUJIOLKRK-UHFFFAOYSA-N,2,1,0.543,15,438,437.916,3.923,5,0.4,0.65,1.0,0.587631073949695,0.6238177643752998,0.27894763895552055,0.32550887533411005,0.45397633815365634
EOS-2-15688,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)cn1,BFCUKZVEDVDJDB-UHFFFAOYSA-N,2,1,0.457,55,823,437.916,4.364,5,0.392,0.71,1.0,0.5336680145295045,0.5105544513741347,0.429802618052224,0.4117949420875882,0.47145500651086286
EOS-2-15689,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)n1C,JNGYFZISLRRLQR-UHFFFAOYSA-N,2,1,0.512,7,486,437.916,4.189,5,0.41,0.66,1.0,0.4880234391062984,0.5153347954218354,0.3410921115756288,0.322441916249743,0.4167230655883764
EOS-2-15690,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,GFXBOEKCAJQYBS-UHFFFAOYSA-N,2,1,0.443,92,544,437.916,4.189,5,0.41,0.71,0.995,0.2864179973956549,0.35054999657323005,0.38273593310945103,0.3575748749228977,0.3443197005003084
EOS-2-15691,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2)cn1,IVCWIOODXMCSPP-UHFFFAOYSA-N,2,1,0.441,31,954,437.916,3.923,5,0.4,0.77,1.0,0.49292372010143237,0.5199523678980194,0.3937272976492358,0.39910732643410324,0.45142767802069766
EOS-2-15692,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccn1,JBNLODYZHMMSIE-UHFFFAOYSA-N,2,1,0.524,92,43,437.916,4.189,5,0.41,0.69,1.0,0.3587057089986978,0.44846994722774314,0.3713162223288328,0.3513210198067302,0.382453224590501
EOS-2-15693,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)nn1C,MCMHGXADNCVNRO-UHFFFAOYSA-N,2,1,0.518,4,486,437.916,4.189,5,0.41,0.69,1.0,0.3678551847028991,0.4791738057706806,0.33411006785004455,0.3192807209923926,0.37510494482900425
EOS-2-15694,Cc1ncc(-c2c[nH]c(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)s1,USPSWVNJDSTIIZ-UHFFFAOYSA-N,2,1,0.426,87,669,437.916,4.221,5,0.4,0.58,1.0,0.3748372284284833,0.3935388253032691,0.437410047289425,0.42157837022822287,0.4068411178123501
EOS-2-15695,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)cc1,BEUDZCQTUFWCJW-UHFFFAOYSA-N,2,1,0.53,36,734,437.916,4.364,5,0.392,0.65,1.0,0.607849016517031,0.5427660886848057,0.3791206908368172,0.402157151668837,0.4829732369268727
EOS-2-15696,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)nc1,DDFRSFVIAPNCNC-UHFFFAOYSA-N,2,1,0.436,31,954,437.916,3.923,5,0.4,0.7,0.999,0.6506922075251867,0.5382341854567885,0.36380302926461516,0.38033719416078404,0.4832666541018436
EOS-2-15697,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)n1C,OSEXGEJWUSGYNV-UHFFFAOYSA-N,2,1,0.512,16,256,437.916,4.189,5,0.41,0.6,1.0,0.50048831471455,0.5616304571311083,0.40100918374340344,0.3959204304023028,0.4647620964978411
EOS-2-15698,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)cn1,ASIWOWHIXQQAQN-UHFFFAOYSA-N,2,1,0.506,92,329,437.916,4.364,5,0.392,0.73,1.0,0.26758789664861904,0.3747858268795833,0.38635117538208485,0.3803457610856007,0.35226766499897194
EOS-2-15699,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1Cl,SPCHJHWUHKSXIW-UHFFFAOYSA-N,2,1,0.578,37,619,437.916,3.923,5,0.4,0.66,1.0,0.6330015077787677,0.6820814200534576,0.3599736138715647,0.4085309437324378,0.5208968713590569
EOS-2-15700,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)cn1,URPGSDKNSNRUGG-UHFFFAOYSA-N,2,1,0.456,92,860,437.916,4.364,5,0.392,0.75,1.0,0.302558083750257,0.4617058460694949,0.3752655746693167,0.3705966006442327,0.3775315262833253
EOS-2-15701,Cn1ccc(-c2cnc(Cl)c(-c3nnc4cncc(OCCc5ccsc5)n34)c2)n1,PINPDSFSWCGYOW-UHFFFAOYSA-N,2,1,0.483,65,349,437.916,3.923,5,0.374,0.58,1.0,0.502912754437667,0.5863717360016448,0.37527414159413336,0.38035432801041735,0.4612282400109657
EOS-2-15702,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,NITVDSNPMGMXRF-UHFFFAOYSA-N,2,1,0.441,2,905,437.916,4.364,5,0.392,0.73,1.0,0.42872318552532385,0.4571311082173943,0.44820437255842643,0.43709307107120826,0.44278793434308816
EOS-2-15703,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)nn1,VQEJIPUVGCVISG-UHFFFAOYSA-N,2,1,0.547,15,475,437.916,3.923,5,0.4,0.74,1.0,0.6565948187238709,0.7392742101295319,0.3638115961894318,0.39592899732711945,0.5389024055924886
EOS-2-15704,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,BXKNSSQISMWYLP-UHFFFAOYSA-N,2,1,0.411,46,211,437.916,4.364,5,0.392,0.73,1.0,0.36563635117538207,0.35055856349804676,0.39000068535398535,0.3866081831265849,0.3732009457884997
EOS-2-15705,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ncsc4Cl)n23)c1,FVSCIHQDWSETLZ-UHFFFAOYSA-N,2,1,0.495,26,438,437.916,3.923,5,0.4,0.72,1.0,0.5413011445411555,0.5336166129806045,0.2934514426701391,0.3415461585909122,0.4274788396957029
EOS-2-15706,Cn1nc(-c2nnc3cncc(OCCc4nccs4)n23)cc1-c1ccc(Cl)cc1,KNLKQUIWLKZHIY-UHFFFAOYSA-N,2,1,0.552,95,835,437.916,3.923,5,0.4,0.82,1.0,0.4607806181892948,0.515343362346652,0.20721677746556097,0.30707285312864097,0.3726034027825371
EOS-2-15707,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,WUQUQODTEOYHKB-UHFFFAOYSA-N,2,1,0.441,18,367,437.916,3.923,5,0.4,0.74,1.0,0.437692755808375,0.4217839764238229,0.3937358645740525,0.40216571859365363,0.413844578849976
EOS-2-15708,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,OODAXIODOSKFFO-UHFFFAOYSA-N,2,1,0.478,87,349,437.916,3.923,5,0.4,0.74,1.0,0.5029213213624837,0.519960934822836,0.45553766020149405,0.45597457336714414,0.48359862243848944
EOS-2-15709,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)cc1,YOZHYQRGEXECMW-UHFFFAOYSA-N,2,1,0.577,15,320,437.916,3.923,5,0.4,0.62,1.0,0.6844544582276746,0.657699952025221,0.3562641354259475,0.38661675005140156,0.5212588239325612
EOS-2-15710,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5scnc5Cl)n34)cc2)c1,FKCFQJNWGWKNLY-UHFFFAOYSA-N,2,1,0.562,15,438,437.916,3.923,5,0.4,0.71,1.0,0.7942395997532725,0.7570077445000343,0.297246590363923,0.3352923034747447,0.5459465595229936
EOS-2-15711,Cc1csc(-c2nn(C)cc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,SMHMHEVQTBFTDB-UHFFFAOYSA-N,2,1,0.608,4,32,437.916,4.189,5,0.41,0.8,1.0,0.4657494345829621,0.6577085189500377,0.2107206497155781,0.27348194092248646,0.4019151360427661
EOS-2-15712,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,KRDSYBKEGAPDAL-UHFFFAOYSA-N,2,1,0.489,87,510,437.916,3.923,5,0.4,0.74,1.0,0.7086731546843945,0.6920618874648756,0.26773353437050235,0.2943938043999726,0.49071559522993624
EOS-2-15713,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)n1,IPVWKZYTPPRCEJ-UHFFFAOYSA-N,2,1,0.585,15,320,437.916,3.923,5,0.4,0.72,1.0,0.8027465560962237,0.7826656843259544,0.31168185868000825,0.3286700705914605,0.5564410424234116
EOS-2-15714,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)cnc2Cl)cn1,NGQSDQCHDDTORI-UHFFFAOYSA-N,2,1,0.57,87,349,437.916,3.923,5,0.374,0.72,1.0,0.6844630251524912,0.7020252210266603,0.42272633815365634,0.4278065245699404,0.5592552772256871
EOS-2-15715,Cn1cncc1-c1cccnc1-c1nnc2cncc(OCCc3ccc(Cl)s3)n12,PMKYDEBDMUCNSH-UHFFFAOYSA-N,2,1,0.457,31,954,437.916,3.923,5,0.4,0.68,0.905,0.5651000616818587,0.4924611061613323,0.27540949900623674,0.32245048317455965,0.41385528750599687
EOS-2-15716,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)n1,HFALLIXDHGJNFH-UHFFFAOYSA-N,2,1,0.553,15,475,437.916,3.923,5,0.4,0.73,1.0,0.8183811938866424,0.7912668768418888,0.36382016311424853,0.38340415324515115,0.5892180967719828
EOS-2-15717,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)nc1,NUWMRRHLZCIGOC-UHFFFAOYSA-N,2,1,0.436,31,510,437.916,3.923,5,0.4,0.68,1.0,0.6754763210198067,0.5910664108011788,0.26774210129531906,0.2975121650332397,0.457949249537386
EOS-2-15718,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,QOIJUIZVAIUXKH-UHFFFAOYSA-N,2,1,0.436,31,211,437.916,3.923,5,0.4,0.79,0.998,0.5153861969707354,0.4217925433486396,0.36748680693578234,0.3866253169762182,0.4228227160578439
EOS-2-15719,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cn2)n1,JWOANGMPHVMGAN-UHFFFAOYSA-N,2,1,0.511,65,981,437.916,3.923,5,0.4,0.57,1.0,0.5360924542526215,0.6195000342676993,0.3638287300390652,0.37402337057089985,0.4733611472825715
EOS-2-15720,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,YPWLDIFBTJNRSF-UHFFFAOYSA-N,2,1,0.573,15,734,437.916,3.923,5,0.4,0.75,1.0,0.8744260160372832,0.7698495648002193,0.3193064217668426,0.3642999109039819,0.5819704783770817
EOS-2-15721,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)c2)cs1,SFSXDFQMOIZNLR-UHFFFAOYSA-N,2,1,0.517,11,848,437.912,5.091,5,0.368,0.78,1.0,0.7829740936193544,0.7570163114248509,0.5384483585772051,0.5295387567678707,0.6519943800973202
EOS-2-15722,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnc5ccc(Cl)cc5c4)n23)cc1,LFWOWGIJJIAFDZ-UHFFFAOYSA-N,2,1,0.35,3,762,437.894,5.06,6,0.387,0.77,1.0,0.29195223082722227,0.3218507984373929,0.7558426427249675,0.8088890411897746,0.5446336782948393
EOS-2-15723,N#Cc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)cc1,YXJRBDDHNBOMKX-UHFFFAOYSA-N,2,1,0.64,79,23,437.89,5.562,5,0.359,0.87,1.0,0.9286118155027071,0.9613117675279281,0.9617229799191283,0.9681910081557125,0.9549593927763691
EOS-2-15724,N#Cc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,SDCNHPCYQIUILW-UHFFFAOYSA-N,2,1,0.603,79,23,437.89,5.562,5,0.359,0.79,1.0,0.9365190871084915,0.959718319512028,0.9533530943732438,0.962476869302995,0.9530168425741896
EOS-2-15725,N#Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1,ZCKHWCWOAKRSGE-UHFFFAOYSA-N,2,1,0.685,79,23,437.89,5.562,5,0.359,0.83,1.0,0.9845881022548146,0.9909104927695155,0.9628452470701118,0.9697673223219793,0.9770277911041053
EOS-2-15726,N#Cc1ccccc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,QPTSLIWDWYXNDK-UHFFFAOYSA-N,2,1,0.658,79,650,437.89,5.562,5,0.359,0.84,1.0,0.9808957576588307,0.9893256116784319,0.954792337742444,0.9630765540401618,0.9720225652799671
EOS-2-15727,N#Cc1cccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,IWRGYACYBTWFFE-UHFFFAOYSA-N,2,1,0.694,79,23,437.89,5.562,5,0.359,0.74,1.0,0.9767236652731136,0.9895397847988486,0.9601895003769447,0.9681995750805291,0.973663131382359
EOS-2-15728,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc(-c2ccsc2)c1,KYKXREJCSOVIGW-UHFFFAOYSA-N,2,1,0.57,97,436,437.887,5.286,5,0.374,0.75,1.0,0.8858542937427181,0.9310533890754574,0.8472688643684463,0.8832242478240011,0.8868501987526557
EOS-2-15729,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)cs1,ITQUBQAECBUPSR-UHFFFAOYSA-N,2,1,0.488,13,110,437.887,5.808,5,0.355,0.72,1.0,0.7421184291686657,0.7868977451853882,0.8899407168802687,0.8914570625728189,0.8276034884517853
EOS-2-15730,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccsc1,DHJRYAHRFVPZCE-UHFFFAOYSA-N,2,1,0.575,34,436,437.887,5.286,5,0.374,0.75,1.0,0.8841066410801178,0.9427900760742923,0.8327993283530943,0.8688489479816325,0.8821362483722843
EOS-2-15731,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cc1Cl,GLVUHZUPAYCLHF-UHFFFAOYSA-N,2,1,0.662,57,951,437.887,5.286,5,0.374,0.81,1.0,0.9654752929888287,0.9517253786580769,0.917603317113289,0.9221866218902063,0.9392476526626002
EOS-2-15732,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)ccc1Cl,MALWYXHBHBCTHZ-UHFFFAOYSA-N,2,1,0.662,57,951,437.887,5.286,5,0.374,0.78,1.0,0.9700671646905626,0.9692276060585292,0.9176118840381057,0.9230775820711398,0.9449960592145844
EOS-2-15733,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccn1,RTSZXQYELVFURW-UHFFFAOYSA-N,2,1,0.554,97,31,437.887,5.286,5,0.374,0.75,1.0,0.7998423685833733,0.8441590706599958,0.8508327050921801,0.8804228634089507,0.843814251936125
EOS-2-15734,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccsc1,LOZBAKQPLNOJRM-UHFFFAOYSA-N,2,1,0.575,97,71,437.887,5.286,5,0.374,0.75,1.0,0.8998012473442533,0.9414964704269755,0.8878075526009184,0.9088479199506545,0.9094882975807004
EOS-2-15735,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccsc4)cn3)n12,VHEIADYIRPSMLM-UHFFFAOYSA-N,2,1,0.618,97,71,437.887,5.286,5,0.374,0.65,1.0,0.7800270714824207,0.9111438558015215,0.8819049414022343,0.8996213419231033,0.86817430265232
EOS-2-15736,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cc1Cl,CUFWEGDYXOJXPE-UHFFFAOYSA-N,2,1,0.64,97,71,437.887,5.286,5,0.374,0.74,1.0,0.8288157083133438,0.8851860736070181,0.9005465698033034,0.9100815571242546,0.88115747721198
EOS-2-15737,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)sn2)cc1,GIQCMVFVQUNGJG-UHFFFAOYSA-N,2,1,0.667,57,798,437.887,5.286,5,0.374,0.8,1.0,0.9579963676238777,0.9486241518744432,0.8362432321293949,0.8900692207525187,0.9082332430950586
EOS-2-15738,Fc1ccc(-c2nnc3cncc(OCc4csnc4-c4ccccc4)n23)cc1Cl,GQFWNQBFHOIHQO-UHFFFAOYSA-N,2,1,0.582,57,709,437.887,5.286,5,0.374,0.74,1.0,0.9165495853608389,0.9024312932629703,0.8254489068603934,0.8735607566307998,0.8794976355287506
EOS-2-15739,Fc1cnc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)cc1-c1ccsc1,YTLVEHXDGFLEMP-UHFFFAOYSA-N,2,1,0.612,97,71,437.887,5.286,5,0.374,0.72,1.0,0.6477623192378864,0.7610084983894181,0.8766448495648003,0.9020200808717703,0.7968589370159688
EOS-2-15740,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,LJLSFXCBLBWWAT-UHFFFAOYSA-N,2,1,0.525,97,332,437.887,5.286,5,0.374,0.79,1.0,0.8701082859296827,0.7783308203687205,0.8887927489548352,0.9066547871975875,0.8609716606127065
EOS-2-15741,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ccsn4)cc3)n12,NQKVCDRCYJXUNS-UHFFFAOYSA-N,2,1,0.564,57,951,437.887,5.286,5,0.374,0.74,1.0,0.9207902131450895,0.8689517510794326,0.8923651566033857,0.9112466588993215,0.8983384449318074
EOS-2-15742,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1nccs1,QUGHZUWXOYKMDR-UHFFFAOYSA-N,2,1,0.699,57,798,437.887,5.286,5,0.374,0.81,1.0,0.9799790967034473,0.9757299019943801,0.8791121239120006,0.8996299088479199,0.933612757864437
EOS-2-15743,Fc1cccc(-c2ncccc2-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,NAVKXNYNTDURNF-UHFFFAOYSA-N,2,1,0.571,1,31,437.887,5.286,5,0.374,0.73,1.0,0.7482095127133165,0.8339901309026112,0.7938455212117058,0.8488109108354465,0.80621401891577
EOS-2-15744,Fc1ccc(-c2cccnc2)cc1-c1nnc2cncc(OCc3csc(Cl)c3)n12,ORUMMCTYCIFMRF-UHFFFAOYSA-N,2,1,0.5,97,91,437.887,5.286,5,0.374,0.74,1.0,0.8657905558220821,0.8339986978274279,0.8993814680282366,0.9123517922006716,0.8778806284696046
EOS-2-15745,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cccs1,ZTKDNYLCRWWAKI-UHFFFAOYSA-N,2,1,0.549,97,992,437.887,5.286,5,0.35,0.76,1.0,0.9502690014392434,0.8931961483106025,0.8911143855801521,0.9009063806456035,0.9088714789939004
EOS-2-15746,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)cn2)cc1Cl,XPUAAYOIINTCSV-UHFFFAOYSA-N,2,1,0.524,59,89,437.887,5.286,5,0.374,0.79,1.0,0.8657991227468987,0.8851946405318347,0.90055513672812,0.9100901240490713,0.8904097560139812
EOS-2-15747,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2)cs1,JCZWAGLTGKWUBY-UHFFFAOYSA-N,2,1,0.531,57,145,437.887,5.808,5,0.355,0.72,1.0,0.7970324172435063,0.8540110341991639,0.8672469330409156,0.8705023644712494,0.8471981872387088
EOS-2-15748,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4ccsc4)c3)n12,JZQQCHHAXJTQBA-UHFFFAOYSA-N,2,1,0.556,97,91,437.887,5.286,5,0.374,0.75,1.0,0.8658076896717154,0.9152988143376054,0.9060808032348708,0.9209701185662394,0.9020393564526078
EOS-2-15749,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1,BRHYKKSBVJQOII-UHFFFAOYSA-N,2,1,0.568,1,31,437.887,5.286,5,0.374,0.76,1.0,0.8983877047495031,0.9111524227263381,0.8408865053800287,0.8640172023850319,0.8786109588102254
EOS-2-15750,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2)cn1,VFWDCTUQUHMANO-UHFFFAOYSA-N,2,1,0.544,1,31,437.887,5.286,5,0.35,0.75,1.0,0.8566239462682476,0.9111609896511548,0.8855030498252348,0.8956719895826194,0.8872399938318141
EOS-2-15751,Fc1ccccc1-c1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)s1,FAOOFSHLWPJZLP-UHFFFAOYSA-N,2,1,0.632,57,798,437.887,5.286,5,0.374,0.8,1.0,0.9612603659790282,0.9558889041189774,0.7857754780344047,0.8539681995750805,0.8892232369268727
EOS-2-15752,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3cccc(-c4cscn4)c3)n12,XSHUAAOYFOGCGN-UHFFFAOYSA-N,2,1,0.544,57,671,437.887,5.286,5,0.374,0.76,1.0,0.8081094510314577,0.8477571790829964,0.8726783633746831,0.895680556507436,0.8560563874991434
EOS-2-15753,Fc1cccc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,UGWRMKKZPNREAR-UHFFFAOYSA-N,2,1,0.588,57,461,437.887,5.286,5,0.374,0.86,1.0,0.8546192858611473,0.9486327187992598,0.7876087999451716,0.8606675347817148,0.8628820848468234
EOS-2-15754,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cc1,BKAKTZGAQFPVPH-UHFFFAOYSA-N,2,1,0.512,97,137,437.887,5.286,5,0.374,0.76,1.0,0.7629874580220684,0.856975190185731,0.881913508327051,0.9088564868754712,0.8526831608525803
EOS-2-15755,Cc1csc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)cc2)n1,NTSPBUKMAXJRKV-UHFFFAOYSA-N,2,1,0.531,57,145,437.887,5.808,5,0.355,0.74,1.0,0.7858268795833048,0.8441676375848125,0.8425484887944623,0.8488194777602632,0.8303406209307107
EOS-2-15756,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3csc(-c4ccccc4)n3)n12,AVUHUFROGVTTHV-UHFFFAOYSA-N,2,1,0.573,57,461,437.887,5.286,5,0.374,0.77,1.0,0.8053337673908574,0.9207645123706394,0.7465646631485162,0.8134209444177918,0.8215209718319512
EOS-2-15757,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nc(-c4ccccc4)cs3)n12,DZNVAMOFALYKQQ-UHFFFAOYSA-N,2,1,0.573,57,461,437.887,5.286,5,0.374,0.76,1.0,0.79985093550819,0.9207730792954562,0.7441487903502159,0.8216109245425263,0.8215959324240971
EOS-2-15758,Fc1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(Cl)cc5)n4)n23)cc1,GFNUFQDVODOOCX-UHFFFAOYSA-N,2,1,0.6,57,461,437.887,5.286,5,0.374,0.8,1.0,0.89980981426907,0.9497035844013433,0.802583784524707,0.8606761017065314,0.8781933212254129
EOS-2-15759,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccsc4)nc3)n12,JMTLQBRXQRKEEZ-UHFFFAOYSA-N,2,1,0.554,97,109,437.887,5.286,5,0.374,0.76,1.0,0.8966229182372696,0.9226149681310397,0.8819220752518676,0.8956891234322527,0.8992122712631074
EOS-2-15760,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccsc5)n34)c2)ccc1Cl,WUZRYIKYRMUDPC-UHFFFAOYSA-N,2,1,0.476,59,153,437.887,5.286,5,0.374,0.82,1.0,0.7389572339113152,0.7161006785004455,0.8959546981015695,0.9112552258241382,0.815566959084367
EOS-2-15761,Fc1cc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)ccc1Cl,ACGJYHPTFJFYMV-UHFFFAOYSA-N,2,1,0.58,57,461,437.887,5.286,5,0.374,0.82,1.0,0.8637002261668152,0.9358080323487081,0.7835309437324378,0.8314371873072441,0.8536190973888013
EOS-2-15762,Fc1ccc(-c2cccs2)cc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,VWTWSCFWEFOSJR-UHFFFAOYSA-N,2,1,0.488,97,666,437.887,5.286,5,0.35,0.81,1.0,0.9062521417312042,0.8878332533753683,0.8866167500514015,0.902028647796587,0.8956826982386402
EOS-2-15763,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cs2)cc1,ZIPZWBWRSXIKDZ-UHFFFAOYSA-N,2,1,0.6,57,461,437.887,5.286,5,0.374,0.8,1.0,0.8983962716743198,0.9538585429374272,0.8025923514495237,0.8606846686313481,0.8788829586731547
EOS-2-15764,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3csc(-c4ccccc4)n3)n12,TWSMHVWOIQKTKC-UHFFFAOYSA-N,2,1,0.531,57,671,437.887,5.286,5,0.374,0.84,1.0,0.7115687752724282,0.8304776917277774,0.7054091563292441,0.7891765471866219,0.7591580426290179
EOS-2-15765,Clc1snnc1CCOc1cncc2nnc(-c3cc(-c4cccnn4)ccn3)n12,HIPFDVDWGYKPHW-UHFFFAOYSA-N,2,1,0.429,53,88,437.876,2.77,5,0.395,0.72,1.0,0.34960763484339663,0.42180111027345624,0.04059008978137208,0.09305393735864574,0.2262631930642177
EOS-2-15766,Clc1nccc(-c2ccc(-c3nnc4cncc(OCCc5nncs5)n34)nc2)n1,YSPPBHCQQZYKAT-UHFFFAOYSA-N,2,1,0.43,31,779,437.876,2.77,5,0.369,0.7,1.0,0.47566993352066345,0.5863803029264615,0.06372078678637516,0.10114968131039682,0.30673017613597425
EOS-2-15767,Clc1nccnc1CCOc1cncc2nnc(-c3cc(-c4cncs4)ncn3)n12,NHOWVDOASOHHJP-UHFFFAOYSA-N,2,1,0.402,18,194,437.876,2.77,5,0.395,0.59,0.848,0.520526351860736,0.5019789596326503,0.069991775752176,0.11462545404701528,0.3017806353231444
EOS-2-15768,Cc1csc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ncn2)n1,LWDINSNEHCVOFJ-UHFFFAOYSA-N,2,1,0.387,53,395,437.876,3.036,5,0.408,0.65,0.965,0.38171646905626755,0.42616167500514013,0.07214207388115962,0.08922452196559523,0.24231118497704066
EOS-2-15769,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c2)s1,GIOJAPGQPDYBRZ-UHFFFAOYSA-N,2,1,0.44,92,142,437.876,3.036,5,0.382,0.65,1.0,0.3656449181001988,0.48324309505859775,0.12453738605989993,0.14633164279350283,0.27993926050304985
EOS-2-15770,Clc1ncsc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)ncn3)n12,WXGINJGQDMZSMI-UHFFFAOYSA-N,2,1,0.418,18,296,437.876,2.77,5,0.395,0.58,0.877,0.5336765814543212,0.5291275443766705,0.07215064080597629,0.11919162497429922,0.3135365979028168
EOS-2-15771,Clc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)nn2)cn1,YJALWYMXFPJYRA-UHFFFAOYSA-N,2,1,0.438,65,466,437.876,2.77,5,0.369,0.7,0.89,0.5565931053389076,0.6049962305530807,0.10245185388253032,0.13659961620176822,0.3501602014940717
EOS-2-15772,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5cnc(Cl)nn5)c4)n23)n1,LGGZWMHMJLQOGB-UHFFFAOYSA-N,2,1,0.524,7,486,437.876,3.036,5,0.408,0.68,1.0,0.42384860530463986,0.492469673086149,0.07631416626687684,0.08734836543074498,0.26999520252210263
EOS-2-15773,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)s1,XVPZMIKMIPHZNX-UHFFFAOYSA-N,2,1,0.489,2,422,437.876,2.745,5,0.432,0.63,1.0,0.38640257693098484,0.43065074360907407,0.2211294633678295,0.2409276266191488,0.31977760263175936
EOS-2-15774,Clc1snnc1CCOc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,QTIQTPKUYKCGDK-UHFFFAOYSA-N,2,1,0.5,65,324,437.876,2.77,5,0.395,0.69,1.0,0.44446919333835927,0.5427746556096223,0.046929614145706254,0.09306250428346241,0.28180899184428754
EOS-2-15775,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)nn1,HYTMEKPXJIPMAR-UHFFFAOYSA-N,2,1,0.484,53,602,437.876,2.77,5,0.395,0.7,1.0,0.4329124117606744,0.6334384209444178,0.09994174491124666,0.1512918922623535,0.3293961174696731
EOS-2-15776,Clc1snnc1CCOc1cncc2nnc(-c3ccnc(-c4cncnc4)c3)n12,FLTKZSAJPZOZKN-UHFFFAOYSA-N,2,1,0.483,65,779,437.876,2.77,5,0.395,0.66,1.0,0.4444777602631759,0.5568501130834076,0.06568261256939209,0.12587382633130012,0.29822107806181897
EOS-2-15777,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)s1,SVLXFBUTPHECPY-UHFFFAOYSA-N,2,1,0.46,51,196,437.876,3.036,5,0.408,0.68,1.0,0.4782485778904804,0.5105630182989515,0.054220067164690564,0.07682818175587691,0.27996496127749987
EOS-2-15778,Oc1cc(-c2nnc3cncc(OCc4csc(Cl)n4)n23)ccc1-c1ccncn1,GSKDFTLVBYNRML-UHFFFAOYSA-N,2,1,0.494,4,31,437.872,3.643,5,0.443,0.55,1.0,0.6631656500582551,0.7205897471043794,0.41881982043725585,0.3991158933589199,0.5504227777397026
EOS-2-15779,CCn1cc(-c2cc(-c3nnc4cncc(OCc5nnnn5C)n34)cnc2Cl)cn1,HVQMAEXQIDJCJN-UHFFFAOYSA-N,2,1,0.379,92,105,437.855,1.826,5,0.365,0.72,1.0,0.294847851415256,0.47918237269549724,0.02671167157837023,0.036974847508738265,0.20942918579946543
EOS-2-15780,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)nn2C)o1,RPBPDPWMINOYAG-UHFFFAOYSA-N,2,1,0.38,31,569,437.851,2.553,5,0.369,0.72,1.0,0.2728908231101364,0.2094698786923446,0.04059865670618874,0.04571311082173943,0.14216811733260232
EOS-2-15781,O=C(NC1COC1)c1cncc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)n1,BXMIHTDCDPADLB-UHFFFAOYSA-N,2,1,0.516,90,636,437.847,1.942,5,0.486,0.84,1.0,0.39723973682406966,0.3840552395312179,0.13619697073538484,0.1860821739428415,0.2758935302583785
EOS-2-15782,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5oc(CO)cc5Cl)n34)cn2)c1,PNXPHDKINDRNBN-UHFFFAOYSA-N,2,1,0.419,7,823,437.847,2.905,5,0.431,0.6,1.0,0.5707970666849428,0.614762524844082,0.4519909533273936,0.3901206223014187,0.5069177917894593
EOS-2-15783,COc1cc(-c2nnc3cncc(OCc4coc(Cl)n4)n23)ccc1-c1cncn1C,CGIGDCBFPHPCEZ-UHFFFAOYSA-N,2,1,0.484,4,248,437.847,3.421,5,0.398,0.69,1.0,0.5848125556850113,0.4924782400109657,0.4659122061544788,0.33530087039956136,0.46962596806250434
EOS-2-15784,CCn1cc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(-c2ccc(F)cn2)n1,GJXQTDQKVBLRQC-UHFFFAOYSA-N,2,1,0.381,45,844,437.841,4.668,5,0.408,0.64,0.999,0.229910561304914,0.46171441299431154,0.7156123637858954,0.8156226440956754,0.5557149955451991
EOS-2-15785,Cc1cc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(F)c5)nn4C)n23)ccc1Cl,AOFRTVILNMLLBV-UHFFFAOYSA-N,2,1,0.367,22,316,437.841,4.494,5,0.415,0.74,1.0,0.22146357343567952,0.4746162017682133,0.7579758070043178,0.8434394489753958,0.5743737577959016
EOS-2-15786,Cn1ncc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1-c1cccc(Cl)c1,XRFUWQIDIBYTCL-UHFFFAOYSA-N,2,1,0.373,96,121,437.841,4.845,5,0.402,0.7,0.998,0.1411229525049688,0.3794719347543006,0.8819306421766843,0.8900777876773354,0.5731508292783223
EOS-2-15787,Fc1cc(-n2cccc2)ccc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,LWVSJPHJJFKTCW-UHFFFAOYSA-N,2,1,0.541,34,146,437.837,5.093,5,0.384,0.72,1.0,0.8236926872729765,0.9281149338633404,0.9683623466520458,0.9744962648207799,0.9236665581522856
EOS-2-15788,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)nc1F,WZTKMMGNIYEQLQ-UHFFFAOYSA-N,2,1,0.361,46,223,437.826,2.748,5,0.305,0.62,0.986,0.5205349187855527,0.5153519292714687,0.30068192721540676,0.3224590500993763,0.4147569563429511
EOS-2-15789,Cn1nnnc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,SBLOEXHLARPRST-UHFFFAOYSA-N,2,1,0.542,36,32,437.826,2.748,5,0.413,0.73,1.0,0.6417312041669523,0.8689603180042492,0.21072921664039476,0.35132958673154685,0.5181875813857857
EOS-2-15790,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)nn1,WSGKZYXJPFREHC-UHFFFAOYSA-N,2,1,0.535,73,212,437.826,2.748,5,0.413,0.52,1.0,0.4830203550133644,0.7068826673977109,0.37132478925364953,0.43710163799602497,0.4995823624151875
EOS-2-15791,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1c[nH]nn1,XNAYYKUEASSVKP-UHFFFAOYSA-N,2,1,0.436,58,773,437.826,2.78,5,0.403,0.46,0.998,0.7331145911863477,0.6820899869782743,0.41511034199163865,0.46241690082927833,0.5731829552463847
EOS-2-15792,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)c1F,ZTZUPYDKGSKDMY-UHFFFAOYSA-N,2,1,0.424,46,395,437.826,2.748,5,0.386,0.69,0.745,0.47052121170584604,0.364968131039682,0.43366630114454113,0.43082208210540746,0.4249944314988692
EOS-2-15793,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nn[nH]n1,JWUPGJKNPHIDID-UHFFFAOYSA-N,2,1,0.588,37,6,437.826,2.78,5,0.403,0.72,1.0,0.9109211157562881,0.902439860187787,0.4968816393667329,0.5525152491261737,0.7156894661092454
EOS-2-15794,Cn1nncc1-c1nccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,PPWLBYPXIJIKCN-UHFFFAOYSA-N,2,1,0.5,36,29,437.826,2.748,5,0.413,0.62,1.0,0.4518624494551436,0.702033787951477,0.28281988897265437,0.37060516756904943,0.4518303234870811
EOS-2-15795,Fc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1c[nH]nn1,HKXSBANYFMZDTH-UHFFFAOYSA-N,2,1,0.406,58,237,437.826,2.78,5,0.403,0.5,0.928,0.6190288534027826,0.6147710917688987,0.32282742786649304,0.3929648413405524,0.4873980535946817
EOS-2-15796,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)[nH]n2)nc1,VNEKWHRSDFLCLY-UHFFFAOYSA-N,2,1,0.381,58,963,437.826,2.78,5,0.43,0.64,0.991,0.5516671235693236,0.4791909396203139,0.2754180659310534,0.36430847782879855,0.41764615173737235
EOS-2-15797,Cn1nc(-c2cncnc2)nc1COc1cncc2nnc(-c3cc(Cl)ccc3F)n12,HVCMJOHQUAMFGW-UHFFFAOYSA-N,2,1,0.455,73,446,437.826,2.748,5,0.413,0.75,0.989,0.4469621684600096,0.5910749777259955,0.21073778356521145,0.322467617024193,0.3928106366938524
EOS-2-15798,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1,KVABDRDXIQRRJR-UHFFFAOYSA-N,2,1,0.482,36,734,437.826,2.748,5,0.386,0.68,1.0,0.7178483311630457,0.6238263313001166,0.2863837296963882,0.3224761839490097,0.48763364402714005
EOS-2-15799,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,SIWZOOFRKYAZCM-UHFFFAOYSA-N,2,1,0.485,65,265,437.826,2.78,5,0.43,0.59,1.0,0.8105424576793914,0.8075011993694743,0.43367486806935784,0.4717462819546296,0.6308662017682133
EOS-2-15800,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cnc1Cl,CXUATEOGSSWKOV-UHFFFAOYSA-N,2,1,0.554,47,499,437.826,2.78,5,0.403,0.67,1.0,0.917937427181139,0.8689688849290659,0.5039579192653005,0.5331197313412378,0.7059959906791858
EOS-2-15801,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2F)n[nH]1,LXUBCFIABFVIGU-UHFFFAOYSA-N,2,1,0.457,47,94,437.826,3.046,5,0.445,0.62,1.0,0.6330100747035844,0.7068912343225275,0.3447673223219793,0.38036289493523406,0.5162578815708314
EOS-2-15802,Cn1nc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)cc1F,FKIZIBFQVZMGPM-UHFFFAOYSA-N,2,1,0.443,92,434,437.826,2.748,5,0.386,0.64,1.0,0.412368926050305,0.52460420807347,0.36383729696388184,0.3481084230004797,0.4122297135220342
EOS-2-15803,Cn1nc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,AMNYUDHCIKPCPE-UHFFFAOYSA-N,2,1,0.494,36,446,437.826,2.748,5,0.413,0.74,0.992,0.5261205537660202,0.7345452676307312,0.14826776780206977,0.27064628880816943,0.41989496950174765
EOS-2-15804,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnnc(Cl)c5)n34)c2)nn1,GKLGONWDPJOIIG-UHFFFAOYSA-N,2,1,0.467,36,134,437.826,2.748,5,0.413,0.73,1.0,0.41237749297512166,0.5105715852237681,0.47986772668083066,0.5091751764786512,0.4779979953395929
EOS-2-15805,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cncc(F)c1,DQZXRUSFFQENNL-UHFFFAOYSA-N,2,1,0.43,95,694,437.826,2.748,5,0.413,0.7,0.997,0.3609416763758481,0.3747943938044,0.30797238023439105,0.37403193749571656,0.35443509697758896
EOS-2-15806,Cn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)n1,MKEVQSPAEBSPPR-UHFFFAOYSA-N,2,1,0.518,51,446,437.826,2.748,5,0.413,0.68,1.0,0.5651086286066753,0.7912754437667056,0.367495373860599,0.4149133027208553,0.5346981872387088
EOS-2-15807,Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5cnc(Cl)cn5)n4)n23)c(F)c1,XNOCKIPGTDDCAA-UHFFFAOYSA-N,2,1,0.446,73,975,437.826,2.842,5,0.413,0.67,0.999,0.28642656432047153,0.5019875265574669,0.282828455897471,0.34811698992529644,0.3548398841751765
EOS-2-15808,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)nc1,CLNULGHMOXKWHS-UHFFFAOYSA-N,2,1,0.365,51,924,437.826,2.748,5,0.386,0.68,1.0,0.5594030566787745,0.5064251936125008,0.3228359947913097,0.33530943732437807,0.43099342060174084
EOS-2-15809,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)n5)n34)cn2)n1,WRBJSERTVXNFEA-UHFFFAOYSA-N,2,1,0.478,36,185,437.826,2.748,5,0.386,0.67,0.998,0.515394763895552,0.6334469878692345,0.32284456171612635,0.3353180042491947,0.4517510794325269
EOS-2-15810,Cn1nc(-c2ncccn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,AEFBYPBSFGQPMG-UHFFFAOYSA-N,2,1,0.518,73,446,437.826,2.748,5,0.413,0.65,0.974,0.5104602152011514,0.7345538345555479,0.10246042080734699,0.2088016585566445,0.3890690322801727
EOS-2-15811,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2F)n1,KQQFFXUVKHBMPY-UHFFFAOYSA-N,2,1,0.377,7,94,437.826,2.748,5,0.386,0.6,1.0,0.42635871427592353,0.47035844013432937,0.3079809471592077,0.32551744225892676,0.38255388595709683
EOS-2-15812,Cn1nc(-c2ncc(F)cn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,KGTGSUMDFJIPMJ-UHFFFAOYSA-N,2,1,0.57,73,82,437.826,2.748,5,0.413,0.71,0.998,0.7270320745665136,0.8189380439997258,0.09265985881707903,0.19996059214584333,0.4596476423822905
EOS-2-15813,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4)n23)nc1Cl,FBPVKCAVHHZZQU-UHFFFAOYSA-N,2,1,0.413,46,62,437.826,2.748,5,0.386,0.61,0.92,0.5288277020080872,0.48325166198341446,0.3006904941402234,0.36117298334589815,0.4184857103694058
EOS-2-15814,Cn1nc(-c2cnc(F)cn2)cc1COc1cncc2nnc(-c3cncc(Cl)c3)n12,GRZQITDCAQCQBT-UHFFFAOYSA-N,2,1,0.43,7,85,437.826,2.748,5,0.413,0.57,1.0,0.4756785004454801,0.542783222534439,0.31931498869165925,0.36431704475361526,0.4255234391062984
EOS-2-15815,Cn1nc(-c2cnc(F)cn2)cc1-c1nnc2cncc(OCc3cccnc3Cl)n12,PBDXNWYWIGAYBJ-UHFFFAOYSA-N,2,1,0.387,46,694,437.826,2.748,5,0.386,0.61,0.975,0.4192824343773559,0.3794805016791173,0.3079895140840244,0.35758344184771435,0.366083972997053
EOS-2-15816,Cn1nnnc1-c1ncccc1COc1cncc2nnc(-c3c(F)cccc3Cl)n12,RTPQWLDPBFVLDS-UHFFFAOYSA-N,2,1,0.471,36,728,437.826,2.748,5,0.413,0.71,1.0,0.5080015077787677,0.5757487492289768,0.19658522376807622,0.34155472551572885,0.4054725515728874
EOS-2-15817,Cn1cnnc1-c1nccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,AWKHQHMPFZPCRU-UHFFFAOYSA-N,2,1,0.511,36,29,437.826,2.748,5,0.413,0.63,1.0,0.5761085600712769,0.7993197861695566,0.22814577479268042,0.3286786375162772,0.48306318963744777
EOS-2-15818,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1-c1cnccn1,PUTRKDGIKAEVDA-UHFFFAOYSA-N,2,1,0.418,7,828,437.826,2.748,5,0.413,0.58,0.999,0.3540281680487972,0.3603162908642314,0.28639229662120486,0.3448187238708793,0.3363888698512782
EOS-2-15819,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cn1,CINABSZILMXYHF-UHFFFAOYSA-N,2,1,0.418,51,379,437.826,2.748,5,0.386,0.68,1.0,0.5708056336097594,0.5706171612637927,0.2934600095949558,0.30377458707422383,0.434664347885683
EOS-2-15820,Cn1cnc(-c2ccnc(F)c2)c1COc1cncc2nnc(-c3cnc(Cl)nc3)n12,CMTJXBKXARJTKP-UHFFFAOYSA-N,2,1,0.435,7,434,437.826,2.748,5,0.305,0.58,1.0,0.5261291206908368,0.6147796586937153,0.3341186347748612,0.3481255568501131,0.4557882427523816
EOS-2-15821,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)c1,SRKWCLXNGOQIQC-UHFFFAOYSA-N,2,1,0.407,51,823,437.826,2.748,5,0.386,0.69,1.0,0.6754848879446234,0.6820985539030909,0.3006990610650401,0.3133095743951751,0.49289801932698235
EOS-2-15822,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)n1,WRQDMSYVUONBSC-UHFFFAOYSA-N,2,1,0.512,36,208,437.826,2.748,5,0.413,0.66,1.0,0.5817113289013776,0.6871102049208416,0.3373397985059283,0.3706137344938661,0.4941937667055034
EOS-2-15823,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nc2F)cn1,XLLLUXBWQPWCOD-UHFFFAOYSA-N,2,1,0.398,53,587,437.826,2.748,5,0.386,0.65,1.0,0.4563600849838942,0.45271914193681034,0.37912925776163386,0.38663388390103487,0.4187105921458433
EOS-2-15824,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)c(F)c4)n23)n1,BBPGOCXRLJBZPZ-UHFFFAOYSA-N,2,1,0.471,51,716,437.826,2.748,5,0.386,0.66,1.0,0.5566016722637243,0.5810174079912275,0.37528270851895,0.4021742855184703,0.478769018573093
EOS-2-15825,Cn1nncc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,IVAYKIWAEXDHCU-UHFFFAOYSA-N,2,1,0.517,73,212,437.826,2.748,5,0.413,0.54,1.0,0.4929322870262491,0.7114916729490782,0.3752912754437667,0.4466708930162429,0.5065965321088343
EOS-2-15826,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)c1,GYFZGEWRPJYAPH-UHFFFAOYSA-N,2,1,0.477,36,728,437.826,2.748,5,0.413,0.68,1.0,0.565117195531492,0.5706257281886095,0.35258035775478036,0.462425467754095,0.48768718730724414
EOS-2-15827,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cc1-c1cnc(Cl)nc1,TZAFJIGPAIZEIJ-UHFFFAOYSA-N,2,1,0.418,55,462,437.826,2.748,5,0.386,0.71,0.947,0.43997155780960867,0.38901548900006855,0.3975310122678363,0.414921869645672,0.4103599821807964
EOS-2-15828,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)n1,GJGJCSSJCGGTTM-UHFFFAOYSA-N,2,1,0.529,36,258,437.826,2.748,5,0.413,0.7,1.0,0.605064765951614,0.7783393872935371,0.34110067850044545,0.4215869371530395,0.536522942224659
EOS-2-15829,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4ccccc4Cl)c(F)n3)n12,LHEVKPFQQMUDMQ-UHFFFAOYSA-N,2,1,0.391,36,223,437.826,2.748,5,0.386,0.7,0.999,0.4540984168322939,0.5382427523816051,0.20017476526626002,0.3542937427181139,0.3867024192995682
EOS-2-15830,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(F)c1,GIXUZZNTDHQJSW-UHFFFAOYSA-N,2,1,0.467,36,208,437.826,2.748,5,0.413,0.62,1.0,0.5179819751901857,0.5957096840518128,0.40460729216640395,0.44667945994105956,0.4912446028373655
EOS-2-15831,Cn1nc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,VKMYJQKZVBNFMY-UHFFFAOYSA-N,2,1,0.5,36,391,437.826,2.748,5,0.413,0.77,1.0,0.6134774861215818,0.8151857309300253,0.1768213282160236,0.29440237132478925,0.474971729148105
EOS-2-15832,Cc1cnc(-c2n[nH]c(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)nc1,QZNILPVDRUEHEU-UHFFFAOYSA-N,2,1,0.506,73,391,437.826,3.046,5,0.445,0.63,1.0,0.7858354465081214,0.7826742512507711,0.24611061613323282,0.3353265711740114,0.5374867212665342
EOS-2-15833,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)nc1,FAKSNWFMSLZZQA-UHFFFAOYSA-N,2,1,0.573,36,728,437.826,2.748,5,0.413,0.72,1.0,0.610556164759098,0.7297906243574807,0.390009252278802,0.47175484887944624,0.5505277225687066
EOS-2-15834,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1F,YIOKLVDUZMSGRG-UHFFFAOYSA-N,2,1,0.5,36,208,437.826,2.748,5,0.413,0.6,1.0,0.5179905421150024,0.609913645397848,0.41128092659858817,0.4559831402919608,0.4987920636008498
EOS-2-15835,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)c(F)c1,BWVVUHBVQBPSTG-UHFFFAOYSA-N,2,1,0.438,36,610,437.826,2.748,5,0.386,0.76,1.0,0.6134860530463985,0.6969364676855596,0.3007076279898568,0.357592008772531,0.49218053937358647
EOS-2-15836,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccn1,VZBMVZXELATEPZ-UHFFFAOYSA-N,2,1,0.5,7,45,437.826,2.748,5,0.413,0.6,0.999,0.4444863271879926,0.4440065793982592,0.2934685765197725,0.34156329244054556,0.3808811938866425
EOS-2-15837,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nc2F)n1,IRTYRYHQLKOMLW-UHFFFAOYSA-N,2,1,0.394,53,237,437.826,2.748,5,0.386,0.6,1.0,0.435062709889658,0.470367007059146,0.30457131108217395,0.32248475087382633,0.38312144472620113
EOS-2-15838,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1Cl,RBKIEAFIQCQWKX-UHFFFAOYSA-N,2,1,0.556,36,728,437.826,2.748,5,0.413,0.75,1.0,0.6358628606675348,0.7950106229867727,0.32647693783839354,0.4528904804331437,0.5525602254814612
EOS-2-15839,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)c(F)c1,OSCAFVIAXBVKJO-UHFFFAOYSA-N,2,1,0.435,36,79,437.826,2.748,5,0.413,0.61,1.0,0.46317935713796177,0.5616390240559249,0.4112894935234048,0.4496693167020766,0.47144429785484204
EOS-2-15840,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccn1,MCLMYVBXXFGRHA-UHFFFAOYSA-N,2,1,0.435,51,624,437.826,2.748,5,0.386,0.61,1.0,0.5234648070728531,0.49248680693578234,0.3264855047632102,0.3385049002809951,0.42023550476321025
EOS-2-15841,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)cn2)n1,NROUJUVBGNJRPA-UHFFFAOYSA-N,2,1,0.494,36,258,437.826,2.748,5,0.413,0.71,1.0,0.5542543348639573,0.6480107600575697,0.3752998423685834,0.4593413748200946,0.5092265780275512
EOS-2-15842,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1,VSIVTQQWDCAICR-UHFFFAOYSA-N,2,1,0.518,36,447,437.826,2.748,5,0.413,0.78,1.0,0.5594116236035912,0.5757573161537934,0.32649407168802685,0.405044205332054,0.46667680419436636
EOS-2-15843,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1F,WCIGVNCXULIPSB-UHFFFAOYSA-N,2,1,0.489,36,208,437.826,2.748,5,0.413,0.67,1.0,0.5205434857103695,0.662600233020355,0.41511890891645536,0.4654495922143787,0.5159280549653896
EOS-2-15844,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2)n1,RPPNEYVQRYZIMS-UHFFFAOYSA-N,2,1,0.476,36,379,437.826,2.748,5,0.386,0.68,1.0,0.6163388390103488,0.6238348982249332,0.2789562058803372,0.29128401069152215,0.4526034884517854
EOS-2-15845,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)nc1F,WBXGTPUPJVZVHM-UHFFFAOYSA-N,2,1,0.387,7,94,437.826,2.748,5,0.386,0.63,1.0,0.5205520526351861,0.547632101980673,0.2497858268795833,0.2795987252415873,0.39939217668425747
EOS-2-15846,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ccc(F)nc1,DTRLIRZKYVUAAO-UHFFFAOYSA-N,2,1,0.396,51,924,437.826,2.748,5,0.386,0.66,0.996,0.37015112055376603,0.3984391062984031,0.27542663285587005,0.322493317798643,0.34162754437667053
EOS-2-15847,Cn1nncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cnn1,KVKIWKUZVRDFET-UHFFFAOYSA-N,2,1,0.56,36,659,437.826,2.748,5,0.413,0.6,1.0,0.6599444863271879,0.8304862586525941,0.4798762936056473,0.5361781235007882,0.6266212905215544
EOS-2-15848,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1Cl,KKBLJKWFLSCIIQ-UHFFFAOYSA-N,2,1,0.494,47,164,437.826,2.78,5,0.403,0.61,1.0,0.9194366390240559,0.8112620793639915,0.2711860050716195,0.3255260091837434,0.5818526831608526
EOS-2-15849,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cnn[nH]1,FGBUTNXCJQWVQB-UHFFFAOYSA-N,2,1,0.495,20,279,437.826,2.78,5,0.43,0.6,1.0,0.7482180796381331,0.7783479542183538,0.45554622712631077,0.5226081145911864,0.6261800938934959
EOS-2-15850,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)nc2F)n1,PXABHBKGECWVHO-UHFFFAOYSA-N,2,1,0.354,46,223,437.826,2.748,5,0.305,0.63,1.0,0.4377013227331917,0.47462476869302994,0.26398122130080187,0.2854242341169214,0.3654328867109863
EOS-2-15851,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)c(F)c1,NUNOLOUQCAGMPP-UHFFFAOYSA-N,2,1,0.461,36,610,437.826,2.748,5,0.413,0.68,1.0,0.5680642176684257,0.6821071208279076,0.352588924679597,0.39912446028373655,0.5004711808649167
EOS-2-15852,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)nc1Cl,AXHICTFAKRBROD-UHFFFAOYSA-N,2,1,0.457,46,223,437.826,2.748,5,0.386,0.65,0.933,0.307663970940991,0.42617024192995684,0.344775889246796,0.40853951065725447,0.3717874031937496
EOS-2-15853,Cn1nnnc1-c1cccnc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,OAUWUJBPJFUXOV-UHFFFAOYSA-N,2,1,0.541,36,728,437.826,2.748,5,0.413,0.68,1.0,0.49294085395106574,0.7526728805428003,0.24979439380439997,0.3866424508258515,0.4705126447810294
EOS-2-15854,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2F)n1,BOFOTACUIVZNCR-UHFFFAOYSA-N,2,1,0.37,51,924,437.826,2.748,5,0.386,0.53,1.0,0.4631879240627784,0.47919950654513055,0.2639897882256185,0.28543280104173807,0.3729525049688164
EOS-2-15855,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(F)c1,AQSOOJLHLLOVTK-UHFFFAOYSA-N,2,1,0.494,36,208,437.826,2.748,5,0.413,0.66,1.0,0.5992306901514632,0.720598314029196,0.34478445617161263,0.3991330272085532,0.5159366218902063
EOS-2-15856,Cn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)n1,QSXGOMIHUYDDPD-UHFFFAOYSA-N,2,1,0.548,73,212,437.826,2.748,5,0.413,0.56,1.0,0.5790470152833939,0.7869063121102049,0.36750394078541565,0.42159550407785623,0.5387631930642176
EOS-2-15857,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)nc2F)n1,ACJRGRCREHTGSE-UHFFFAOYSA-N,2,1,0.391,46,62,437.826,2.748,5,0.305,0.61,1.0,0.5516756904941402,0.4832602289082311,0.36751250771023236,0.34482729079569596,0.4368189294770749
EOS-2-15858,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)nn1,CWAHDXFLTHRWIJ-UHFFFAOYSA-N,2,1,0.512,51,446,437.826,2.748,5,0.413,0.66,1.0,0.45410698375711056,0.7252330203550134,0.3713333561784662,0.4308306490302241,0.4953760023302035
EOS-2-15859,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)nc1F,VSYYODWJIYOPSY-UHFFFAOYSA-N,2,1,0.446,46,223,437.826,2.748,5,0.386,0.57,0.989,0.3563241038996642,0.46172297991912825,0.3447930230964293,0.3959375642519361,0.3896944177917894
EOS-2-15860,Cn1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)n1,FSHISBFYKPRFKE-UHFFFAOYSA-N,2,1,0.5,73,446,437.826,2.748,5,0.413,0.68,0.999,0.5621616064697417,0.7912840106915222,0.29725515728873964,0.3643256116784319,0.5037565965321089
EOS-2-15861,Cn1ncnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,PKPJHCFXUXKXOL-UHFFFAOYSA-N,2,1,0.506,73,212,437.826,2.748,5,0.413,0.67,1.0,0.5154033308203687,0.7161092454252621,0.27896477280515386,0.3740405044205332,0.47112946336782946
EOS-2-15862,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)n1,MQUFCGRFPHCQCF-UHFFFAOYSA-N,2,1,0.407,51,379,437.826,2.748,5,0.386,0.65,1.0,0.5492426838462066,0.5810259749160441,0.28283702282228773,0.2944109382496059,0.42687915495853607
EOS-2-15863,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)[nH]n2)ccn1,YMWKFKNWRNXURW-UHFFFAOYSA-N,2,1,0.386,20,279,437.826,2.78,5,0.403,0.61,1.0,0.4732026591734631,0.44401514632307587,0.337348365430745,0.4050527722568707,0.41490473579603865
EOS-2-15864,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1,CDSXRENWXZAKCY-UHFFFAOYSA-N,2,1,0.476,36,379,437.826,2.748,5,0.386,0.68,1.0,0.6389983551504352,0.5706342951134261,0.2754351997806867,0.3070814200534576,0.4480373175245015
EOS-2-15865,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1F,UKCAOBAFJVOUCU-UHFFFAOYSA-N,2,1,0.449,36,610,437.826,2.748,5,0.386,0.67,1.0,0.6021862792132137,0.667423411692139,0.2972637242135563,0.3448358577205126,0.4779273182098554
EOS-2-15866,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(F)c1,IVCZRUKHVIHXMD-UHFFFAOYSA-N,2,1,0.451,36,79,437.826,2.748,5,0.413,0.59,1.0,0.4585103831128778,0.5522154067575903,0.42635871427592353,0.4528990473579604,0.472495887876088
EOS-2-15867,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)nn1,XZVYRFSYHHCUGM-UHFFFAOYSA-N,2,1,0.518,51,946,437.826,2.748,5,0.413,0.71,1.0,0.5876396408745117,0.769858131725036,0.415127475841272,0.45599170721677745,0.5571542389143993
EOS-2-15868,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)[nH]c1F,YIMJETFIFRSIEJ-UHFFFAOYSA-N,2,1,0.444,51,239,437.826,3.046,5,0.445,0.56,1.0,0.6301487218148174,0.6099222123226646,0.2567079021314509,0.27656603385648687,0.44333621753135494
EOS-2-15869,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,ZCBURLNVXVKGMN-UHFFFAOYSA-N,2,1,0.56,36,728,437.826,2.748,5,0.413,0.71,1.0,0.517999109039819,0.7869148790350216,0.35259749160441367,0.4496778836268933,0.526797340826537
EOS-2-15870,Cc1nc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ccn2)[nH]c1F,JBYRKXSVIHWXNG-UHFFFAOYSA-N,2,1,0.426,51,239,437.826,3.046,5,0.416,0.55,1.0,0.6050733328764307,0.614788225618532,0.25671646905626755,0.2765746007813035,0.4382881570831334
EOS-2-15871,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)cn1,KZKMMUYVHIWJOT-UHFFFAOYSA-N,2,1,0.407,51,468,437.826,2.748,5,0.386,0.71,1.0,0.5029298882873003,0.5568586800082242,0.3488366116098965,0.3513381536563635,0.43999083339044615
EOS-2-15872,Cc1ncn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)n1,CWOISPGKABOICH-UHFFFAOYSA-N,2,1,0.506,36,29,437.826,2.842,5,0.413,0.64,1.0,0.4035278596395038,0.5863888698512781,0.30071619491467344,0.37404907134534987,0.41617049893770136
EOS-2-15873,Cn1nncc1-c1cnc(COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cn1,CWUFFFOIFSXKNR-UHFFFAOYSA-N,2,1,0.524,73,212,437.826,2.748,5,0.413,0.62,1.0,0.5361010211774382,0.672349393461723,0.4188283873620725,0.4717634158042629,0.5247605544513742
EOS-2-15874,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(F)c1,CZKBNYKEEUODQL-UHFFFAOYSA-N,2,1,0.453,51,196,437.826,2.748,5,0.413,0.65,1.0,0.5205606195600028,0.5706428620382428,0.3562727023507642,0.40506133918168735,0.4631343807826742
EOS-2-15875,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)n1,GIIQFQHEUHKJCH-UHFFFAOYSA-N,2,1,0.476,51,196,437.826,2.748,5,0.413,0.69,1.0,0.6537420327599205,0.6821156877527242,0.29347714344458914,0.33205400589404427,0.4903472174628195
EOS-2-15876,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cc5F)n34)cc2)n1,VAORCRWLWCMUHW-UHFFFAOYSA-N,2,1,0.543,36,258,437.826,2.748,5,0.386,0.67,1.0,0.7359759440751148,0.6285124391748338,0.42981118497704063,0.4560002741415941,0.5625749605921458
EOS-2-15877,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2F)n1,JPQUEAFLJYDILM-UHFFFAOYSA-N,2,1,0.489,36,610,437.826,2.748,5,0.413,0.71,1.0,0.5387910355698718,0.6626087999451716,0.34110924542526216,0.3740576382701665,0.47914167980261807
EOS-2-15878,Cn1nc(-c2nccnn2)cc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,SKJSNQOUGVKSGZ-UHFFFAOYSA-N,2,1,0.541,36,391,437.826,2.748,5,0.413,0.59,1.0,0.5310551024604208,0.7482694811870331,0.33735693235556163,0.41493043657048867,0.5079029881433761
EOS-2-15879,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)n1,PFXQDGLFPBJGGT-UHFFFAOYSA-N,2,1,0.506,36,208,437.826,2.748,5,0.413,0.7,1.0,0.6245288191350833,0.6821242546775409,0.397539579192653,0.42450825851552326,0.5321752278802001
EOS-2-15880,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1F,IERBFVLUBMIVHP-UHFFFAOYSA-N,2,1,0.488,51,196,437.826,2.748,5,0.413,0.61,1.0,0.5817198958261942,0.5810345418408608,0.367521074635049,0.4149390034953053,0.48630362894935236
EOS-2-15881,Cn1cnc(-c2cc(F)c(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)c1,AGIJRUVLFSHWKC-UHFFFAOYSA-N,2,1,0.419,7,94,437.826,2.748,5,0.413,0.6,1.0,0.6190374203275992,0.6195086011925159,0.35628126927558085,0.3773387704749503,0.49304151531766155
EOS-2-15882,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)nc1,JWOVBODRFQJFNH-UHFFFAOYSA-N,2,1,0.58,36,728,437.826,2.748,5,0.413,0.81,1.0,0.6417397710917689,0.6238434651497499,0.4046158590912206,0.48678123500788156,0.5392450825851552
EOS-2-15883,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)nc1,XVQQZRYTEASZPV-UHFFFAOYSA-N,2,1,0.58,36,728,437.826,2.748,5,0.413,0.82,1.0,0.6417483380165856,0.6238520320745665,0.40462442601603726,0.4867898019326982,0.5392536495099719
EOS-2-15884,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)c(Cl)c3)n12,DFIVINSBIYEDLA-UHFFFAOYSA-N,2,1,0.482,36,610,437.826,2.748,5,0.386,0.7,1.0,0.5234733739976698,0.6626173668699884,0.3155798094715921,0.44968645055170997,0.48783925022274005
EOS-2-15885,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)c(Cl)c4)nc3)n12,WPCHNCXVIKSHIV-UHFFFAOYSA-N,2,1,0.46,36,391,437.826,2.748,5,0.413,0.75,1.0,0.5651257624563086,0.6674319786169557,0.28995613734493864,0.42781509149475705,0.48758224247824
EOS-2-15886,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c(F)c2)n1,OUFHKVTVLDBVAB-UHFFFAOYSA-N,2,1,0.554,36,404,437.826,2.748,5,0.413,0.6,1.0,0.49779830032211636,0.677249674456857,0.35998218079638133,0.4245168254403399,0.48988674525392367
EOS-2-15887,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)n5)n34)cc2)n1,LSENOOBDVUPZJW-UHFFFAOYSA-N,2,1,0.53,36,447,437.826,2.748,5,0.386,0.65,1.0,0.6245373860599,0.6147967925433486,0.3562898362003975,0.39012918922623535,0.49643830100747033
EOS-2-15888,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1F,ZTCHQMBPHSPRFD-UHFFFAOYSA-N,2,1,0.506,36,208,437.826,2.748,5,0.413,0.62,1.0,0.5492512507710232,0.6531080803234871,0.3373654992803783,0.3834127201699678,0.4807843876362141
EOS-2-15889,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1F,AOFBYCLVZHAJCL-UHFFFAOYSA-N,2,1,0.542,36,728,437.826,2.748,5,0.386,0.75,1.0,0.6963367829483929,0.7161178123500788,0.4081111644164211,0.47765746007813037,0.5745558049482558
EOS-2-15890,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)nc1F,LNFQJADTYMPOCM-UHFFFAOYSA-N,2,1,0.429,46,223,437.826,2.748,5,0.386,0.63,0.776,0.5413097114659722,0.5019960934822836,0.3116904256048249,0.34813412377492975,0.42578258858200263
EOS-2-15891,Cn1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)c(-c2ncccc2F)n1,PSRCWAHLEKUWBJ-UHFFFAOYSA-N,2,1,0.451,7,94,437.826,2.748,5,0.413,0.66,1.0,0.3496162017682133,0.37948906860393394,0.20722534439037762,0.2825628812281543,0.3047233739976698
EOS-2-15892,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1F,GZBXBMOQOMHVLW-UHFFFAOYSA-N,2,1,0.524,36,728,437.826,2.748,5,0.413,0.7,1.0,0.7241021862792132,0.7115002398738949,0.40101775066822015,0.48976252484408195,0.5815956754163526
EOS-2-15893,Cn1nc(-c2nnc3cncc(OCc4cc(F)nc(Cl)c4)n23)cc1-c1cnccn1,GBTGQJIJPUKZDL-UHFFFAOYSA-N,2,1,0.414,46,694,437.826,2.748,5,0.386,0.61,1.0,0.4469707353848263,0.3935473922280858,0.35629840312521416,0.38342128709478446,0.39505945445822765
EOS-2-15894,Cn1cc(-c2cnc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cn2)cn1,AIENJTRZBNEDJB-UHFFFAOYSA-N,2,1,0.438,7,828,437.826,2.748,5,0.413,0.67,1.0,0.41929100130217256,0.4261788088547735,0.3827445000342677,0.405069906106504,0.4083210540744294
EOS-2-15895,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1nn[nH]n1,FVYFIAVFLVCSQH-UHFFFAOYSA-N,2,1,0.545,37,6,437.826,2.78,5,0.43,0.69,1.0,0.8877904187512851,0.8744517168117333,0.4336834349941745,0.5091837434034678,0.6762773284901651
EOS-2-15896,Cc1cc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)no1,MWTDDCSNIMHPIS-UHFFFAOYSA-N,2,1,0.517,73,29,437.822,3.916,5,0.407,0.68,1.0,0.7482266465629498,0.8408094030566787,0.4588616270303612,0.5091923103282846,0.6392724967445685
EOS-2-15897,Fc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cnco1,VGWSOKHLLQPSEY-UHFFFAOYSA-N,2,1,0.446,18,773,437.822,3.65,5,0.371,0.64,1.0,0.810551024604208,0.7115088067987115,0.5719707353848262,0.5996590363922967,0.6734224007950106
EOS-2-15898,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)cc1Cl,OMWOVZBWOGVMTD-UHFFFAOYSA-N,2,1,0.61,19,308,437.822,3.65,5,0.396,0.78,1.0,0.8678723185525323,0.7437975464327325,0.6426307312727023,0.6642536495099719,0.7296385614419848
EOS-2-15899,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccc(-c4ncno4)nc3)n12,VOEUBDBDSYNGCO-UHFFFAOYSA-N,2,1,0.552,84,73,437.822,3.65,5,0.396,0.7,1.0,0.7539150846412171,0.7826828181755877,0.6302172572133506,0.655583921595504,0.7055997704064149
EOS-2-15900,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1nnco1,RFBORUFGYACDGU-UHFFFAOYSA-N,2,1,0.593,34,32,437.822,3.65,5,0.396,0.64,0.999,0.9422760605852923,0.9538671098622439,0.43369200191899115,0.5361866904256049,0.7165054656980331
EOS-2-15901,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)c1,OBSPETKGJFYWMJ-UHFFFAOYSA-N,2,1,0.575,84,524,437.822,3.65,5,0.396,0.68,1.0,0.7147385374545953,0.7826913851004044,0.6097765746007813,0.647154067575903,0.6885901411829211
EOS-2-15902,N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)o1,LWPMYZBOLXZQDU-UHFFFAOYSA-N,2,1,0.494,43,521,437.822,3.625,5,0.433,0.62,1.0,0.7210951956685628,0.6238605989993832,0.7261496813103968,0.7286854910561305,0.6999477417586183
EOS-2-15903,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cn3)n12,QSCUUOOEZXBFOF-UHFFFAOYSA-N,2,1,0.506,19,442,437.822,3.65,5,0.396,0.71,1.0,0.7772685216914537,0.7206068809540127,0.6187033102597491,0.6527311356315537,0.6923274621341923
EOS-2-15904,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ncno4)nc3)n12,CEXRHCBYDGCOPU-UHFFFAOYSA-N,2,1,0.541,84,749,437.822,3.65,5,0.396,0.73,1.0,0.7568535398533343,0.7783565211431704,0.5908436707559455,0.6384415050373518,0.6911238091974505
EOS-2-15905,Cc1coc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccc2F)n1,SMOCPDTZPIQAQI-UHFFFAOYSA-N,2,1,0.494,4,799,437.822,3.916,5,0.407,0.72,1.0,0.7772770886162703,0.7656003700911521,0.52480981426907,0.5258292783222535,0.6483791378246865
EOS-2-15906,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)ccc1Cl,BZZGJXZEBWHMAE-UHFFFAOYSA-N,2,1,0.704,84,360,437.822,3.65,5,0.396,0.75,1.0,0.8614042903159482,0.8267682132821602,0.6513261599616201,0.6671321362483723,0.7516576999520251
EOS-2-15907,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnoc5)nc4)n23)cnc1Cl,XNUMWEPSHVRBAE-UHFFFAOYSA-N,2,1,0.533,35,76,437.822,3.65,5,0.371,0.59,1.0,0.7539236515660338,0.7392827770543485,0.6540247412788706,0.6555924885203207,0.7007059146048934
EOS-2-15908,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)c1,SAJSDXZCKIRRLQ-UHFFFAOYSA-N,2,1,0.538,84,672,437.822,3.65,5,0.396,0.7,1.0,0.7482352134877664,0.807509766294291,0.6246059214584333,0.6642622164347886,0.7111532794188199
EOS-2-15909,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)cc1Cl,BFRWOPPWTWEHKY-UHFFFAOYSA-N,2,1,0.704,84,360,437.822,3.65,5,0.396,0.74,1.0,0.8614128572407649,0.8267767802069769,0.6513347268864369,0.6699934891371393,0.7523794633678296
EOS-2-15910,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)ccc1Cl,MVGAELXZMSWALG-UHFFFAOYSA-N,2,1,0.61,19,308,437.822,3.65,5,0.396,0.79,1.0,0.8723613871564663,0.7392913439791653,0.642639298197519,0.6642707833596052,0.729640703173189
EOS-2-15911,COc1cc(-c2nnc3cncc(-c4cnc(-c5nc(C)no5)cc4F)n23)ccc1Cl,ICGITKOXIFOYSY-UHFFFAOYSA-N,2,1,0.361,50,155,437.822,4.013,5,0.415,0.7,1.0,0.6785775478034405,0.6772582413816737,0.5812315811116442,0.5783359605236105,0.6288508327050921
EOS-2-15912,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)no1,DCFHJKZCIZRZFH-UHFFFAOYSA-N,2,1,0.585,4,71,437.822,3.916,5,0.407,0.7,1.0,0.6274415735727503,0.7206154478788294,0.5350044548009046,0.565656911794942,0.6121795970118565
EOS-2-15913,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5conn5)c4)n23)nc1Cl,FWKOTJWAMKGGRM-UHFFFAOYSA-N,2,1,0.495,72,628,437.822,3.65,5,0.371,0.63,1.0,0.6995408128298266,0.6871187718456583,0.584512713316428,0.6210249468850662,0.6480493112192447
EOS-2-15914,Cc1noc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)n1,JFODUPKTCBMUAF-UHFFFAOYSA-N,2,1,0.429,46,181,437.822,3.916,5,0.407,0.67,1.0,0.5566102391885409,0.5153604961962854,0.5752004660407101,0.5996676033171133,0.5617097011856624
EOS-2-15915,Cc1nc(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)cn2)no1,ORANNGAWMYRXAE-UHFFFAOYSA-N,2,1,0.53,59,877,437.822,3.916,5,0.407,0.69,1.0,0.6814903022411075,0.7068998012473443,0.46592077307929547,0.5193869508601192,0.5934244568569667
EOS-2-15916,Fc1cc(-c2cnco2)ccc1-c1nnc2cncc(OCCc3cc(Cl)cnn3)n12,MLQGSESQYFQLLC-UHFFFAOYSA-N,2,1,0.529,37,832,437.822,3.65,5,0.396,0.69,1.0,0.8105595915290248,0.8189466109245426,0.5684582962099924,0.6324960592145843,0.707615139469536
EOS-2-15917,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)no1,BQKGRAHBQFISCX-UHFFFAOYSA-N,2,1,0.573,16,391,437.822,3.916,5,0.407,0.71,1.0,0.8131553697484751,0.8569837571105476,0.5583407580015077,0.5816684942772942,0.7025370947844561
EOS-2-15918,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)cnc1Cl,WSIIZKKUKYTRQT-UHFFFAOYSA-N,2,1,0.484,2,76,437.822,3.65,5,0.371,0.61,1.0,0.7511651017750668,0.6381502295935851,0.5973973682406963,0.59967617024193,0.6465972174628196
EOS-2-15919,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)o1,ZZRXVGOUGMQQQP-UHFFFAOYSA-N,2,1,0.662,59,483,437.822,3.916,5,0.407,0.78,1.0,0.8263055993420602,0.72524158727983,0.6006270988965801,0.6179665547255158,0.6925352100609965
EOS-2-15920,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)c1,MZQDVKBBZKDVGO-UHFFFAOYSA-N,2,1,0.523,84,672,437.822,3.65,5,0.396,0.68,1.0,0.7539322184908506,0.7297991912822973,0.6706017407991227,0.7101209649784114,0.7161135288876704
EOS-2-15921,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cncc(-c4nnco4)c3)n12,OOLIEJHYGTVDKP-UHFFFAOYSA-N,2,1,0.552,84,35,437.822,3.65,5,0.396,0.69,1.0,0.7331231581111645,0.6920704543896923,0.6762816119525735,0.7017682132821602,0.7008108594338976
EOS-2-15922,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)cnc1Cl,CDDZUNKBPNPVEY-UHFFFAOYSA-N,2,1,0.539,58,981,437.822,3.65,5,0.371,0.61,1.0,0.8361232951819615,0.8112706462888082,0.6006356658213967,0.5996847371667466,0.7119285861147283
EOS-2-15923,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nnco1,VXJXRKRAXAXWQL-UHFFFAOYSA-N,2,1,0.565,37,619,437.822,3.65,5,0.396,0.67,1.0,0.9310362552258241,0.8631947776026317,0.6426478651223357,0.6728719758755397,0.7774377184565828
EOS-2-15924,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)no1,RDYFWURIXUTNSG-UHFFFAOYSA-N,2,1,0.662,59,294,437.822,3.916,5,0.407,0.73,1.0,0.8210283736549928,0.7115173737235282,0.5812401480364608,0.6025460900555136,0.6790829963676239
EOS-2-15925,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nnco1,KKWDQWNDHOYIJJ-UHFFFAOYSA-N,2,1,0.595,72,669,437.822,3.65,5,0.371,0.68,1.0,0.9310448221506408,0.8852032074566514,0.6456976903570695,0.6583853060105544,0.7800827564937289
EOS-2-15926,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)nc3)n12,UIYSILJVUMYSDV-UHFFFAOYSA-N,2,1,0.552,84,73,437.822,3.65,5,0.396,0.68,1.0,0.8524175861832637,0.8340072647522445,0.6272616681516003,0.6527397025563704,0.7416065554108697
EOS-2-15927,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)o1,PSJCITBBRAEJEB-UHFFFAOYSA-N,2,1,0.494,51,196,437.822,3.916,5,0.407,0.72,1.0,0.8858628606675348,0.7950191899115894,0.5519412651634569,0.5431430333767391,0.6939915872798301
EOS-2-15928,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cnc1Cl,KDQKUVQEACKWQY-UHFFFAOYSA-N,2,1,0.554,72,889,437.822,3.65,5,0.371,0.64,1.0,0.9451716811733261,0.8905575354670687,0.6426564320471524,0.6384500719621684,0.7792089301624289
EOS-2-15929,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,HOSONCFIJZQEKO-UHFFFAOYSA-N,2,1,0.602,72,386,437.822,3.65,5,0.371,0.69,1.0,0.9062607086560208,0.8744602837365499,0.6395894729627852,0.652748269481187,0.7682646837091358
EOS-2-15930,Cc1cc(-c2nnc3cncc(OCc4nnc(-c5cnco5)cc4F)n23)ccc1Cl,ZQGZHIBAKXFJII-UHFFFAOYSA-N,2,1,0.483,4,534,437.822,3.916,5,0.407,0.73,0.995,0.7241107532040298,0.7993283530943732,0.6037540264546638,0.6356058529230347,0.6906997464190254
EOS-2-15931,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)cn2)no1,QQSYFFFODPXABT-UHFFFAOYSA-N,2,1,0.494,59,109,437.822,3.916,5,0.407,0.72,1.0,0.6785861147282571,0.7610170653142349,0.5485915975601399,0.5939020629154959,0.645524210129532
EOS-2-15932,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncon1,HEXOETFKBHPGNW-UHFFFAOYSA-N,2,1,0.571,37,141,437.822,3.65,5,0.396,0.7,1.0,0.8858714275923515,0.8477657460078131,0.5617246933040916,0.6058272222602974,0.7252972722911384
EOS-2-15933,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1nnco1,YESKMIVLENPCME-UHFFFAOYSA-N,2,1,0.517,72,639,437.822,3.65,5,0.371,0.71,1.0,0.8950551709958193,0.8441762045096293,0.5519498320882736,0.5939106298403125,0.7212729593585088
EOS-2-15934,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)c1,VERUAAASPMLPIF-UHFFFAOYSA-N,2,1,0.539,37,589,437.822,3.65,5,0.396,0.65,1.0,0.8701168528544994,0.8602391885408813,0.587631073949695,0.6356144198478514,0.7384003837982318
EOS-2-15935,Fc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1nnco1,FKNXXDBVBFKXQR-UHFFFAOYSA-N,2,1,0.539,37,589,437.822,3.65,5,0.396,0.68,1.0,0.8913371256253855,0.8508755397162634,0.5876396408745117,0.635622986772668,0.7413688232472072
EOS-2-15936,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1nnco1,GPNWCAIAJKZKSD-UHFFFAOYSA-N,2,1,0.552,37,563,437.822,3.65,5,0.396,0.66,1.0,0.9014717976835035,0.8569923240353643,0.5845212802412446,0.6210335138098828,0.7410047289424988
EOS-2-15937,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)o1,XGKNMKSGTBDWQK-UHFFFAOYSA-N,2,1,0.5,59,483,437.822,3.916,5,0.407,0.77,1.0,0.7858440134329381,0.7783650880679871,0.5719793023096429,0.5996933040915633,0.6839704269755328
EOS-2-15938,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2C)no1,IMCTVQGVVRRWNA-UHFFFAOYSA-N,2,1,0.407,13,971,437.822,4.438,5,0.406,0.73,1.0,0.6134946199712151,0.6148053594681653,0.42273490507847306,0.4654581591391954,0.5291232609142622
EOS-2-15939,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,QZFHNXZIJIIYKE-UHFFFAOYSA-N,2,1,0.523,72,639,437.822,3.65,5,0.371,0.68,1.0,0.8678808854773491,0.8267853471317935,0.5451391268590227,0.5876653416489617,0.7068676752792817
EOS-2-15940,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)o1,XKJPIGMXTHMBHQ-UHFFFAOYSA-N,2,1,0.641,59,483,437.822,3.916,5,0.407,0.79,1.0,0.8614214241655815,0.8267939140566103,0.5941162360359126,0.6122095812487149,0.7236352888767048
EOS-2-15941,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cc[nH]n1,BOPDYTZAJZFCCO-UHFFFAOYSA-N,2,1,0.396,13,251,437.822,4.17,5,0.44,0.6,1.0,0.6723665273113563,0.6531166472483038,0.6626345007196217,0.6384586388869852,0.6566440785415667
EOS-2-15942,Fc1cnc(CCOc2cncc3nnc(-c4cccc(-c5cnco5)c4)n23)nc1Cl,PJMNVSXMJXMAPK-UHFFFAOYSA-N,2,1,0.511,35,795,437.822,3.65,5,0.371,0.7,1.0,0.8210369405798095,0.6871273387704749,0.4447776026317593,0.49891200054828316,0.6129634706325817
EOS-2-15943,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncon5)c4)n23)ccc1Cl,CTQRRTZCGVOXNB-UHFFFAOYSA-N,2,1,0.705,84,131,437.822,3.65,5,0.396,0.68,1.0,0.7421269960934823,0.6871359056952916,0.6733774244397231,0.6961911452265095,0.6997078678637516
EOS-2-15944,Fc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ncco1,OJVKGFBAUBFECP-UHFFFAOYSA-N,2,1,0.473,49,814,437.822,3.65,5,0.371,0.61,0.999,0.7482437804125831,0.6381587965184018,0.4227434720032897,0.47177198272907955,0.5702295079158385
EOS-2-15945,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncno1,YPCYHRZWRUIRGU-UHFFFAOYSA-N,2,1,0.588,35,669,437.822,3.65,5,0.371,0.69,1.0,0.880362894935234,0.8229987663628264,0.6484990747721198,0.6613237612226716,0.7532961243232129
EOS-2-15946,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)o1,NCBWDKKSLTTXBJ-UHFFFAOYSA-N,2,1,0.573,4,391,437.822,3.916,5,0.407,0.75,1.0,0.7714858474402029,0.877295935850867,0.5908522376807621,0.5966606127064629,0.7090736584195737
EOS-2-15947,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2F)no1,ZUQNVFDLBJRDQV-UHFFFAOYSA-N,2,1,0.541,4,31,437.822,3.916,5,0.381,0.78,1.0,0.6933040915632924,0.7161263792748955,0.49689020629154956,0.5193955177849359,0.6064290487286683
EOS-2-15948,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)o1,KEQMFSJHOHWVNH-UHFFFAOYSA-N,2,1,0.542,4,32,437.822,3.916,5,0.407,0.73,1.0,0.870125419779316,0.9170807346994723,0.5283907888424371,0.5720649715578096,0.7219154787197587
EOS-2-15949,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)cc1Cl,KEHBMSCVIOMYKV-UHFFFAOYSA-N,2,1,0.704,84,360,437.822,3.65,5,0.396,0.76,0.999,0.9233517236652731,0.879977383318484,0.6457062572818861,0.667140703173189,0.779044016859708
EOS-2-15950,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)cc1Cl,LBAYLFPMMUOIID-UHFFFAOYSA-N,2,1,0.72,75,166,437.822,3.65,5,0.396,0.7,1.0,0.8701339867041327,0.6772668083064903,0.6302258241381674,0.6613323281474882,0.7097397368240697
EOS-2-15951,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cnccc4-c4nnco4)n23)c1,BCEJHXAIIAQJFM-UHFFFAOYSA-N,2,1,0.576,84,672,437.822,3.65,5,0.396,0.57,1.0,0.7178568980878623,0.6723579603865396,0.639598039887602,0.6935525323829758,0.680841357686245
EOS-2-15952,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)ccc1Cl,VJCKHLHDHWLAGK-UHFFFAOYSA-N,2,1,0.72,75,166,437.822,3.65,5,0.396,0.69,1.0,0.8701425536289493,0.677275375231307,0.6302343910629841,0.6613408950723049,0.7097483037488863
EOS-2-15953,Fc1cc(-c2ccon2)cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)c1,RIGOJRGPKKDDFT-UHFFFAOYSA-N,2,1,0.512,35,795,437.822,3.65,5,0.396,0.7,1.0,0.644652525529436,0.6285210060996504,0.4659293400041121,0.5393050510588719,0.5696019806730176
EOS-2-15954,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nc2)o1,PBBQVEZNHAXGLB-UHFFFAOYSA-N,2,1,0.58,59,294,437.822,3.916,5,0.407,0.82,0.992,0.805342334315674,0.6969450346103763,0.6006442327462134,0.6122181481735316,0.6787874374614489
EOS-2-15955,Fc1cnc(Cl)cc1CCOc1cncc2nnc(-c3cccc(-c4ncon4)c3)n12,ZZIJUYAHFCXCSY-UHFFFAOYSA-N,2,1,0.578,35,300,437.822,3.65,5,0.371,0.63,1.0,0.7800356384072373,0.6821328216023577,0.6097851415255979,0.6265506133918168,0.6746260537317524
EOS-2-15956,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)no1,IQGMIIIIIMTRLR-UHFFFAOYSA-N,2,1,0.524,16,772,437.822,3.916,5,0.407,0.72,1.0,0.8263141662668768,0.7570248783496676,0.5812487149612775,0.59970187101638,0.6910724076485505
EOS-2-15957,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)o1,JHWPLGDIFAVBOF-UHFFFAOYSA-N,2,1,0.641,59,483,437.822,3.916,5,0.407,0.78,1.0,0.8637087930916318,0.826802480981427,0.5941248029607292,0.6089284490439312,0.7233911315194298
EOS-2-15958,COc1cc(F)c(Cl)cc1-c1nnc2cncc(-c3ccc(-c4noc(C)n4)cn3)n12,LMGWWAYBUOZZDL-UHFFFAOYSA-N,2,1,0.349,50,155,437.822,4.013,5,0.415,0.78,1.0,0.6105647316839148,0.5757658830786101,0.555445137413474,0.5295473236926873,0.5678307689671716
EOS-2-15959,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)cn2)cn1,MSYZUJMUTDDUKG-UHFFFAOYSA-N,2,1,0.489,87,434,437.822,3.65,5,0.371,0.71,1.0,0.8637173600164485,0.8540196011239806,0.5876482077993284,0.57517476526626,0.7201399835515043
EOS-2-15960,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)no1,IAZWFDAFSURTBT-UHFFFAOYSA-N,2,1,0.524,4,921,437.822,3.916,5,0.407,0.7,1.0,0.5790555822082105,0.5476406689054897,0.47297991912822973,0.4959821122609828,0.5239145706257282
EOS-2-15961,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncno1,FVNIYGLSYMPDQI-UHFFFAOYSA-N,2,1,0.511,37,639,437.822,3.65,5,0.371,0.73,1.0,0.854627852785964,0.7912925776163389,0.5554537043382908,0.5939191967651292,0.6988233328764307
EOS-2-15962,Cc1coc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)ccn2)n1,UDIDCRCQKGOOGC-UHFFFAOYSA-N,2,1,0.467,24,912,437.822,3.916,5,0.381,0.61,1.0,0.7858525803577547,0.6480193269823864,0.5908608046055788,0.5591289150846412,0.6459654067575903
EOS-2-15963,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)no1,VOQAUICYCWCJHI-UHFFFAOYSA-N,2,1,0.494,2,131,437.822,3.916,5,0.407,0.77,1.0,0.584821122609828,0.6381673634432184,0.6097937084504146,0.6356315536974847,0.6171034370502364
EOS-2-15964,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ncco5)ncn4)n23)c1,AZTUMQQBTUVPAR-UHFFFAOYSA-N,2,1,0.473,44,481,437.822,3.65,5,0.396,0.58,1.0,0.6692653005277226,0.5863974367760949,0.5554622712631074,0.6058357891851142,0.6042401994380098
EOS-2-15965,Fc1cncc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cnoc5)c4)n23)c1,HUJCOQCDJQTUJE-UHFFFAOYSA-N,2,1,0.523,35,76,437.822,3.65,5,0.371,0.58,1.0,0.7086817216092112,0.6723665273113563,0.6331642793502844,0.6613494619971215,0.6688904975669934
EOS-2-15966,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)no1,KEGOSZUDUHXCSH-UHFFFAOYSA-N,2,1,0.641,59,294,437.822,3.916,5,0.407,0.75,1.0,0.7829826605441711,0.8075183332191077,0.5752090329655267,0.5966691796312795,0.6905948015900213
EOS-2-15967,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1-c1cnco1,PQPCSCZKOVUPKY-UHFFFAOYSA-N,2,1,0.524,13,209,437.818,5.04,5,0.38,0.73,1.0,0.8658162565965322,0.7698666986498527,0.9071431019121377,0.8735693235556165,0.8540988451785346
EOS-2-15968,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccon1,XJQMLQSBGLHKGU-UHFFFAOYSA-N,2,1,0.5,13,209,437.818,5.04,5,0.38,0.78,1.0,0.8763792748954835,0.7438061133575492,0.8935559591529024,0.8623980535946817,0.8440348502501542
EOS-2-15969,O=c1nc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)ccn2)[nH]o1,ABZKMLPWFQAENJ-UHFFFAOYSA-N,2,1,0.442,75,359,437.807,1.594,5,0.388,0.51,0.999,0.4308820505791241,0.35556164759098075,0.052283942156123635,0.06916935096977589,0.2269742478240011
EOS-2-15970,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nnco1,UOYODWUMURFEJD-UHFFFAOYSA-N,2,1,0.371,7,94,437.807,2.267,5,0.386,0.57,0.993,0.47568706737029676,0.3984476732232198,0.08572921664039476,0.07495202522102666,0.25870399561373447
EOS-2-15971,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ncon1,KIMZDRWCLHTQSC-UHFFFAOYSA-N,2,1,0.39,7,94,437.807,2.267,5,0.386,0.57,0.999,0.4631964909875951,0.4306593105338908,0.0742495373860599,0.06738743060790899,0.2588731923788637
EOS-2-15972,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nnco1,URHLSASRYAYPAS-UHFFFAOYSA-N,2,1,0.366,51,924,437.807,2.267,5,0.386,0.46,0.856,0.5180076759646357,0.3935559591529025,0.06569117949420876,0.05646460146665753,0.2584298540196011
EOS-2-15973,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)o1,HXSLKMQWFPQAFT-UHFFFAOYSA-N,2,1,0.44,53,617,437.807,2.267,5,0.386,0.68,1.0,0.4830289219381811,0.5199695017476527,0.07425810431087657,0.0657083133438421,0.2857412103351381
EOS-2-15974,O=c1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)[nH]o1,CHTYYMVPYNUSRW-UHFFFAOYSA-N,2,1,0.465,58,602,437.807,1.594,5,0.414,0.64,0.999,0.4192995682269892,0.45272770886162705,0.06569974641902543,0.08546364197107806,0.25579766636967993
EOS-2-15975,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)cn1,LWVAVAFRXVFNRX-UHFFFAOYSA-N,2,1,0.387,13,971,437.797,4.367,5,0.385,0.68,1.0,0.6662154752929889,0.752681447467617,0.8713247892536495,0.8914656294976355,0.7954218353779727
EOS-2-15976,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cncc(Cl)c5)ncn4)n23)cc1F,WEORTIOFVZSWQC-UHFFFAOYSA-N,2,1,0.483,13,573,437.797,4.367,5,0.412,0.72,0.994,0.7686844630251525,0.7115259406483448,0.8819392091015009,0.907725652799671,0.8174688163936673
EOS-2-15977,Fc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)c1,KTWXRWQBVRGLLP-UHFFFAOYSA-N,2,1,0.376,13,971,437.797,4.367,5,0.412,0.72,0.996,0.6963453498732095,0.6969536015351929,0.8685662394626825,0.8970255637036529,0.7897226886436844
EOS-2-15978,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ncn2)nc1,RAEDJDOFNSFJBF-UHFFFAOYSA-N,2,1,0.5,44,971,437.797,4.367,5,0.412,0.74,1.0,0.7886111301487219,0.7526900143924337,0.8539082311013638,0.8874391748338016,0.8206621376190802
EOS-2-15979,Fc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2)nc1,XHZLLGWOIFCNNV-UHFFFAOYSA-N,2,1,0.425,13,110,437.797,4.367,5,0.412,0.83,1.0,0.7942481666780893,0.815194297854842,0.7986172983345898,0.8355150435199781,0.8108937015968747
EOS-2-15980,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cnn2)cn1,UHCHQFAFCFYEEG-UHFFFAOYSA-N,2,1,0.548,13,573,437.797,4.367,5,0.385,0.61,1.0,0.7597748612158179,0.8268110479062436,0.9017887739017202,0.9198478514152559,0.8520556336097594
EOS-2-15981,Fc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cn2)nc1,VEKAWKGRWITRBM-UHFFFAOYSA-N,2,1,0.59,13,573,437.797,4.367,5,0.412,0.8,1.0,0.9046586937153039,0.9000839558632033,0.819914673428826,0.8539767664998972,0.8696585223768076
EOS-2-15982,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)cnn4)n23)c(F)c1,VMKFTUHOHSBQTQ-UHFFFAOYSA-N,2,1,0.396,13,251,437.797,4.367,5,0.385,0.73,1.0,0.6078575834418477,0.7020423548762936,0.8830871770269344,0.910098690973888,0.7757714515797409
EOS-2-15983,Fc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nn2)c1,WGHCVIPCJIGUQT-UHFFFAOYSA-N,2,1,0.393,13,251,437.797,4.367,5,0.412,0.73,0.999,0.6933126584881091,0.729807758207114,0.8408950723048455,0.8861712699609349,0.7875466897402509
EOS-2-15984,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)cc1F,WTTRKJDRFQXIIJ-UHFFFAOYSA-N,2,1,0.59,13,995,437.797,4.367,5,0.385,0.79,1.0,0.9207987800699061,0.9170893016242889,0.8866253169762183,0.890086354602152,0.9036499383181413
EOS-2-15985,Fc1ccc(Cl)c(Oc2cncc3nnc(-c4cnnc(-c5cnccc5F)c4)n23)c1,MWGUYWPTSPYNRA-UHFFFAOYSA-N,2,1,0.433,13,995,437.797,4.367,5,0.412,0.64,1.0,0.6692738674525393,0.7610256322390515,0.8923737235282023,0.9221951888150229,0.811217103008704
EOS-2-15986,Fc1cnc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)cn1,QSYHAUFZKMDQCL-UHFFFAOYSA-N,2,1,0.481,13,412,437.797,4.367,5,0.412,0.8,1.0,0.9194452059488726,0.9622112946336783,0.8344441779178946,0.8524175861832637,0.8921295661709273
EOS-2-15987,Fc1ccc(-c2cnnc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)cn1,CVYMNEAKBYFLFW-UHFFFAOYSA-N,2,1,0.506,13,573,437.797,4.367,5,0.385,0.67,1.0,0.7056490302241107,0.7570334452744842,0.8959632650263861,0.9198564183400727,0.8196255397162634
EOS-2-15988,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5cnc(F)c(Cl)c5)nn4)n23)cc1,LGJJKKNKBYSSPC-UHFFFAOYSA-N,2,1,0.474,34,706,437.797,4.367,5,0.385,0.8,0.996,0.8984048385991364,0.9400058255088753,0.8614642587896648,0.8817935713796176,0.8954171235693236
EOS-2-15989,Fc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5ccc(F)nn5)ccn4)n23)c1,FBJGCNVWMITXBU-UHFFFAOYSA-N,2,1,0.402,13,251,437.797,4.367,5,0.412,0.69,1.0,0.6358714275923515,0.6772839421561236,0.8441505037351792,0.8761565348502501,0.7583656020834761
EOS-2-15990,Fc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)nc2)nc1,YTLPLFGOKDSLKH-UHFFFAOYSA-N,2,1,0.531,13,573,437.797,4.367,5,0.412,0.85,1.0,0.8763878418203002,0.8268196148310603,0.8165393050510589,0.8505671304228634,0.8425784730313207
EOS-2-15991,Fc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)cn1,HIWPIPJHMGMJSU-UHFFFAOYSA-N,2,1,0.494,13,110,437.797,4.367,5,0.412,0.69,1.0,0.7331317250359811,0.8152028647796586,0.855373175245014,0.8735778904804331,0.8193214138852717
EOS-2-15992,O=c1[nH]c(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)ncc1F,ALQBLFMRUDCBBA-UHFFFAOYSA-N,2,1,0.355,45,575,437.797,3.535,5,0.463,0.76,0.997,0.45636865190871084,0.6426821328216024,0.8199232403536426,0.8804314303337674,0.6998513638544308
EOS-2-15993,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4F)n23)no1,FSBOUHSMPHQOQE-UHFFFAOYSA-N,2,1,0.489,36,728,462.232,2.995,5,0.363,0.68,1.0,0.4541155506819272,0.662625933794805,0.3265026386128435,0.4839370159687479,0.48179528476458094
EOS-2-15994,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4F)n23)o1,AVDTTZPITDOLNS-UHFFFAOYSA-N,2,1,0.489,36,728,462.232,2.995,5,0.363,0.65,1.0,0.5387996024946885,0.739299910903982,0.29727229113837295,0.45290761428277704,0.507069854704955
EOS-2-15995,Brc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnnc5)cn4)n23)nc1,IMJSTKLPFDEGMU-UHFFFAOYSA-N,2,1,0.407,7,128,462.271,2.775,5,0.389,0.65,1.0,0.47321122609827976,0.4527362757864437,0.23910287163319854,0.235144952367898,0.35004883147145494
EOS-2-15996,N#Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)nc1Cl,ZNKSSGAPVWRDQE-UHFFFAOYSA-N,2,1,0.438,45,46,462.275,5.233,5,0.365,0.73,1.0,0.46575800150777874,0.8304948255774107,0.9308734836543074,0.9606606812418614,0.7969467479953396
EOS-2-15997,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Br)cc5)n34)ccn2)cc1,TUNRJMKZUFVGNR-UHFFFAOYSA-N,2,1,0.653,57,480,462.282,5.547,5,0.351,0.87,1.0,0.8566325131930642,0.8657905558220821,0.9136453978479885,0.92505654170379,0.8902812521417311
EOS-2-15998,Fc1cc(Br)ccc1Oc1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,VCEXVFJNHFMXDS-UHFFFAOYSA-N,2,1,0.419,57,616,462.282,5.547,5,0.351,0.79,1.0,0.6963539167980262,0.7783736549928038,0.8888013158796518,0.9031337810979371,0.8166656671921046
EOS-2-15999,Fc1cc(-c2ccccn2)ccc1Oc1cncc2nnc(-c3ccc(Br)cc3)n12,MDZVNDQSYQGKBG-UHFFFAOYSA-N,2,1,0.519,57,480,462.282,5.547,5,0.351,0.84,1.0,0.882170516071551,0.9310619560002742,0.9108525803577547,0.9123603591254883,0.9091113528887671
EOS-2-16000,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)cc4Cl)n23)cc1,GSCDECRZGSRSLG-UHFFFAOYSA-N,2,1,0.53,43,230,462.3,4.734,5,0.375,0.79,1.0,0.8027551230210404,0.8305033925022274,0.92500514015489,0.9415393050510589,0.8749507401823041
EOS-2-16001,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(Br)cc3)n12,LWJUFZWXMFJCAD-UHFFFAOYSA-N,2,1,0.632,1,709,462.307,5.096,5,0.362,0.74,1.0,0.9109296826811047,0.8441847714344459,0.5213744774175861,0.5492769515454733,0.7064414707696526
EOS-2-16002,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)cc2)cn1,FXMOPOAATVVPDE-UHFFFAOYSA-N,2,1,0.582,4,519,462.311,3.928,5,0.394,0.73,1.0,0.46078918511411143,0.5291361113014872,0.6006527996710301,0.5258378452470701,0.5291039853334247
EOS-2-16003,Fc1cccc(Cl)c1-c1nnc2cncc(OCCc3ccc(Cl)cc3Cl)n12,DJIWWKHOFRYLGG-UHFFFAOYSA-N,2,1,0.681,23,370,437.689,5.512,4,0.413,0.76,1.0,0.9412051949832089,0.9669745048317456,0.9739222808580632,0.9914587759577822,0.9683901891577
EOS-2-16004,Fc1cc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)c4)n23)ccc1Cl,DTZDOANRUBYFQD-UHFFFAOYSA-N,2,1,0.806,23,86,437.689,5.512,4,0.413,0.76,1.0,0.995048317455966,0.9981581111644164,0.982335001028031,0.9940288534027826,0.992392570762799
EOS-2-16005,Brc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)[nH]n4)n23)cc1,APJZZACLBSZXSM-UHFFFAOYSA-N,2,1,0.61,19,159,462.311,3.96,5,0.411,0.75,0.998,0.5234819409224865,0.4659636077033788,0.5384569255020218,0.5560019875265575,0.5209761154136112
EOS-2-16006,Cn1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)c(-c2ccccc2)n1,YHQZSDJONNWGTL-UHFFFAOYSA-N,2,1,0.542,4,700,462.311,3.928,5,0.394,0.73,1.0,0.32048865739154275,0.3505671304228634,0.3526060585292303,0.37062230141868274,0.3485710369405798
EOS-2-16007,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,HZUADDZBSLKIAX-UHFFFAOYSA-N,2,1,0.746,23,370,437.689,5.512,4,0.413,0.81,1.0,0.9814269069974642,0.9942087588239326,0.9787968610787472,0.9935576725378658,0.9869975498595024
EOS-2-16008,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3cc(Cl)ccc3Cl)n12,FOEBTTIWNVPYPR-UHFFFAOYSA-N,2,1,0.653,23,370,437.689,5.512,4,0.413,0.79,1.0,0.9451802480981427,0.967711260365979,0.9788054280035638,0.9932149955451991,0.9712279830032211
EOS-2-16009,Fc1c(Cl)ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1Cl,CZXZWHXSCZSFEM-UHFFFAOYSA-N,2,1,0.765,23,86,437.689,5.512,4,0.386,0.77,1.0,0.9991775752175999,0.9993660475635666,0.9828575834418477,0.9938575149064491,0.9938146802823659
EOS-2-16010,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4Br)n23)cc1,OFRHOCXOQQGFBI-UHFFFAOYSA-N,2,1,0.592,43,520,462.311,3.928,5,0.394,0.78,1.0,0.8210455075046261,0.6871444726201082,0.5213830443424029,0.5092008772531013,0.6346934754300596
EOS-2-16011,OCCn1cc(-c2cncc3nnc(-c4ccc(-c5ccc(Br)cc5)cn4)n23)cn1,DCVIIHWROLZSEB-UHFFFAOYSA-N,2,1,0.309,96,478,462.311,3.472,5,0.43,0.75,1.0,0.08202830511959427,0.15766568432595435,0.46957028305119597,0.522616681516003,0.30797023850318694
EOS-2-16013,Fc1cc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4F)n23)c(F)cc1-c1nn[nH]n1,SGAVSEOHRNPINF-UHFFFAOYSA-N,2,1,0.351,45,252,462.317,4.075,5,0.406,0.75,1.0,0.4399801247344253,0.6195171681173326,0.9935748063874992,0.9920241929956822,0.7612740730587348
EOS-2-16014,Clc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1,OWRPWILZIMXCQY-UHFFFAOYSA-N,2,1,0.757,57,461,462.34,5.782,5,0.32,0.82,1.0,0.9882890137756151,0.9927695154547324,0.901797340826537,0.9364676855595915,0.954830888904119
EOS-2-16015,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cc1,SUVGIYUSWIBAHC-UHFFFAOYSA-N,2,1,0.573,57,23,462.34,5.782,5,0.32,0.75,1.0,0.8984134055239531,0.9358165992735248,0.8855116167500514,0.9280892330888905,0.9119577136591048
EOS-2-16016,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nc1,APSDCISJEPYEBP-UHFFFAOYSA-N,2,1,0.696,57,732,462.34,5.782,5,0.32,0.74,1.0,0.927172572133507,0.9226235350558564,0.8959718319512028,0.9313960660681242,0.9192910013021726
EOS-2-16017,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cn4)n23)cc1,DZXQQQPJKFCNBB-UHFFFAOYSA-N,2,1,0.62,57,198,462.34,5.782,5,0.32,0.91,1.0,0.8723699540812829,0.9207816462202728,0.8993900349530533,0.9389863614556919,0.9078819991775753
EOS-2-16018,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c2)nc1,KFCIATVBPSWZEY-UHFFFAOYSA-N,2,1,0.667,57,732,462.34,5.782,5,0.32,0.8,1.0,0.9219810156946062,0.9262987458022068,0.8959803988760194,0.9304365704886574,0.9186741827153725
EOS-2-16019,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5Cl)nc4)n23)cc1,QNMRHWWIQBBWBD-UHFFFAOYSA-N,2,1,0.72,57,461,462.34,5.782,5,0.32,0.84,1.0,0.9888458638886986,0.9890429031594818,0.892382290453019,0.9329295456103077,0.9508001507778767
EOS-2-16020,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccc(Cl)c5)nc4)n23)cc1,BLOOVUKVHUCVDX-UHFFFAOYSA-N,2,1,0.711,57,461,462.34,5.782,5,0.32,0.83,1.0,0.9830631896374478,0.9911589335891988,0.894806730176136,0.9337691042423412,0.9506994894112809
EOS-2-16021,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)c(Cl)c4)n23)cc1,PLZBIISEMARYJD-UHFFFAOYSA-N,2,1,0.761,91,222,462.34,5.782,5,0.32,0.85,1.0,0.9556918648481941,0.9698958261942293,0.9274638475772736,0.9505345761085601,0.9508965286820643
EOS-2-16022,Cc1c(Cl)cccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,BLRPOIGGDZROCE-UHFFFAOYSA-N,2,1,0.62,57,798,462.34,6.048,5,0.318,0.86,1.0,0.9696645192241793,0.9605750119936948,0.9293485710369406,0.9424045644575423,0.9504981666780892
EOS-2-16023,Clc1ccc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,OFWDYJGTYVVDDL-UHFFFAOYSA-N,2,1,0.628,57,461,462.34,5.782,5,0.32,0.79,1.0,0.9700757316153793,0.9881433760537317,0.8614728257144816,0.9155729559317387,0.9338162223288329
EOS-2-16024,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)cc1,DCAJCTJFNKBUBT-UHFFFAOYSA-N,2,1,0.685,57,883,462.34,5.782,5,0.32,0.84,1.0,0.9814354739222808,0.979987663628264,0.9146305942019053,0.9455400589404427,0.9553984476732231
EOS-2-16025,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cc1,PNZRISJRXVTEDO-UHFFFAOYSA-N,2,1,0.722,57,497,462.34,5.782,5,0.299,0.81,1.0,0.9796792543348639,0.9849050784730313,0.9157185936536221,0.9415478719758755,0.9554626996093483
EOS-2-16026,Clc1cccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)c1,FQMNRAFBMMAODM-UHFFFAOYSA-N,2,1,0.576,57,848,462.34,5.782,5,0.299,0.74,1.0,0.7657545747378521,0.9024484271126036,0.8628606675347817,0.9155815228565554,0.8616612980604482
EOS-2-16027,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)c1,YWMZKSJKYIQGJM-UHFFFAOYSA-N,2,1,0.688,91,883,462.34,5.782,5,0.299,0.86,1.0,0.9759183743403468,0.977306216160647,0.9223579603865396,0.9439037763004592,0.9548715817969982
EOS-2-16028,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)cc1,WPHLSXMMXUOHAT-UHFFFAOYSA-N,2,1,0.711,57,660,462.34,5.782,5,0.32,0.84,1.0,0.9310533890754574,0.9475275854979097,0.9028767733534371,0.9321156877527242,0.9283933589198822
EOS-2-16029,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)cc1,LKODIPYRDNQQMG-UHFFFAOYSA-N,2,1,0.679,57,732,462.34,5.782,5,0.32,0.82,1.0,0.929931121924474,0.9706582825029128,0.9028853402782537,0.9389949283805086,0.9356174182715373
EOS-2-16030,Clc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(-c2ccccc2)c1,PHIVELYDMWFZSU-UHFFFAOYSA-N,2,1,0.523,79,848,462.34,5.782,5,0.299,0.73,1.0,0.9124631622232884,0.9586817216092112,0.8344527448427113,0.9009149475704201,0.9016281440614077
EOS-2-16031,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cc1Cl,LLCYTFLBCNSLEC-UHFFFAOYSA-N,2,1,0.733,57,222,462.34,5.782,5,0.32,0.81,1.0,0.9165581522856555,0.9281235007881571,0.920233363032006,0.9447176341580427,0.9274081625659654
EOS-2-16032,Clc1cccc(Cl)c1CCOc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,LIOBPHMRRHXYDA-UHFFFAOYSA-N,2,1,0.53,57,198,462.34,5.782,5,0.32,0.8,1.0,0.7942567336029059,0.8230073332876431,0.8713333561784662,0.9241741484476732,0.8531928928791721
EOS-2-16033,Cc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cc2)n1,PBRXQJDSHPHFES-UHFFFAOYSA-N,2,1,0.561,57,709,462.34,6.048,5,0.318,0.76,1.0,0.9062692755808375,0.9475361524227264,0.9184428757453225,0.930445137413474,0.9256733602905901
EOS-2-16034,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1,POSSGCVGLWXHBF-UHFFFAOYSA-N,2,1,0.775,91,883,462.34,5.782,5,0.299,0.84,1.0,0.9806044822150641,0.9834658351038311,0.9267613597423069,0.9455486258652595,0.9590950757316155
EOS-2-16035,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cc1,QPWZXOVCVNQEGB-UHFFFAOYSA-N,2,1,0.658,57,23,462.34,5.782,5,0.299,0.8,1.0,0.9310619560002742,0.9567969981495442,0.9099359194023713,0.9390034953053252,0.9341995922143786
EOS-2-16036,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c(Cl)c1,YIWOITVFHBTAMC-UHFFFAOYSA-N,2,1,0.716,91,883,462.34,5.782,5,0.32,0.75,1.0,0.9486155849496265,0.9597268864368447,0.9316873415118909,0.9499348913713933,0.9474911760674389
EOS-2-16037,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c1Cl,XQLFNBPZMZQRSB-UHFFFAOYSA-N,2,1,0.638,91,883,462.34,5.782,5,0.32,0.8,1.0,0.9704955109313961,0.969904393119046,0.9285175793297238,0.9484956480021931,0.9543532828455897
EOS-2-16038,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cc1,LUXIFYUFXVJRSG-UHFFFAOYSA-N,2,1,0.676,57,560,462.34,5.782,5,0.32,0.89,1.0,0.8877989856761017,0.9071002672880543,0.9060893701596875,0.9424131313823589,0.9108504386265506
EOS-2-16039,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2)cc1,IBBKRGOJAPGNIR-UHFFFAOYSA-N,2,1,0.618,57,23,462.34,5.782,5,0.32,0.8,1.0,0.9563686519087109,0.9762781851826469,0.8935645260777192,0.934728599821808,0.9402349907477212
EOS-2-16040,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5nnc(Cl)s5)s4)n23)cc1,OEZGQFJHCGKHDC-UHFFFAOYSA-N,2,1,0.615,34,389,462.347,4.652,5,0.375,0.74,1.0,0.8637259269412652,0.882401823041601,0.1737029675827565,0.3611815502707148,0.5702530669590844
EOS-2-16041,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnns5)s4)n23)c(Cl)c1,NTOBUDBRSFBEEY-UHFFFAOYSA-N,2,1,0.536,16,772,462.347,4.652,5,0.375,0.58,1.0,0.4804931121924474,0.6821413885271743,0.3488451785347132,0.5461071893633062,0.5143967171544103
EOS-2-16042,Clc1cc(Cl)c(-c2nnc3cncc(OCc4ncc(-c5cscn5)s4)n23)cn1,XUQIDCBCUHGYBL-UHFFFAOYSA-N,2,1,0.512,55,390,462.347,4.652,5,0.351,0.62,1.0,0.5336851483791378,0.6626345007196217,0.33412720169967786,0.477666027002947,0.5020282194503461
EOS-2-16043,N#Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)ccn2)ccc1F,UGSNIUZHWSRMTB-UHFFFAOYSA-N,2,1,0.473,13,236,462.366,5.074,5,0.274,0.67,1.0,0.9208073469947228,0.922632101980673,0.9891714070317319,0.9881433760537317,0.9551885580152149
EOS-2-16044,Cn1nc(-c2nnnn2C(F)F)cc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,HWDHBQHNONFIGB-UHFFFAOYSA-N,2,1,0.268,99,286,462.388,1.42,6,0.397,0.59,0.693,0.12763861284353367,0.19531731889520937,0.04060722363100541,0.04844595983825646,0.10300227880200123
EOS-2-16045,N#Cc1ccc(-c2nnc3cncc(OCc4cnn(-c5cccc(C(F)(F)F)n5)c4)n23)cc1,MONJVFKBLFRHPZ-UHFFFAOYSA-N,2,1,0.517,27,51,462.395,3.841,5,0.391,0.76,1.0,0.559420190528408,0.6003786580768967,0.9441779178945926,0.8735864574052498,0.7443908059762867
EOS-2-16046,Cn1nc(-c2cncc(C#N)c2)cc1Oc1cncc2nnc(-c3ccc(C(F)F)cc3F)n12,JWAXIYLNTSXMDB-UHFFFAOYSA-N,2,1,0.385,27,706,462.395,4.327,5,0.383,0.62,1.0,0.5388081694195052,0.6674405455417723,0.932432663970941,0.8996384757727366,0.7595799636762388
EOS-2-16047,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5nncn5C(F)(F)F)cc4)n23)c1,JIUIFEUFNYWNCN-UHFFFAOYSA-N,2,1,0.568,43,431,462.395,3.977,5,0.389,0.67,1.0,0.8081180179562745,0.7526985813172503,0.9646614351312452,0.9241827153724899,0.862415187444315
EOS-2-16048,N#Cc1cccnc1-n1cc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cn5)nc4)n23)nn1,DYMWMKUFMFCJRE-UHFFFAOYSA-N,2,1,0.292,86,312,462.412,2.297,6,0.382,0.54,0.996,0.02697724624768693,0.13877561510520184,0.18321225412925776,0.25594544582276746,0.15122764032622849
EOS-2-16049,O=c1ccccn1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1,WXNKORZBGNEDRN-UHFFFAOYSA-N,2,1,0.716,1,996,462.416,3.518,5,0.365,0.76,1.0,0.5621701733945583,0.6381759303680351,0.8457011171269961,0.777465560962237,0.7058781954629566
EOS-2-16050,O=C(O)Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)cn1,KTOSXKSISSWQOO-UHFFFAOYSA-N,2,1,0.662,43,96,462.416,3.597,5,0.394,0.81,1.0,0.5761171269960935,0.3310088410664108,0.7514392433692002,0.6789373586457406,0.5843756425193612
EOS-2-16051,OCc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)cc1,IXMDOYZVUYLXNP-UHFFFAOYSA-N,2,1,0.622,1,528,462.416,4.134,5,0.385,0.78,1.0,0.9299396888492907,0.7869234459598382,0.9108611472825714,0.8539853334247138,0.8704274038791034
EOS-2-16052,Cc1cc(=O)n(C)nc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)n4)n23)nc1F,NKZJBAUFYYQXHJ-UHFFFAOYSA-N,2,1,0.39,46,122,462.42,2.508,5,0.366,0.63,0.873,0.3772274004523336,0.3168648481940923,0.2754437667055034,0.26191659241998494,0.30786315194297853
EOS-2-16053,COCc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)cn1,SIIQVULXDXHNFO-UHFFFAOYSA-N,2,1,0.367,51,564,462.42,3.042,5,0.36,0.65,1.0,0.5516842574189569,0.4218096771982729,0.5845298471660613,0.4989205674730999,0.5142360873140976
EOS-2-16054,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2)cn1,KWZFWNWLYJROLX-UHFFFAOYSA-N,2,1,0.562,54,411,462.42,3.261,5,0.343,0.72,0.999,0.7241193201288465,0.667449112466589,0.5248183811938867,0.45291618120759375,0.5923257487492289
EOS-2-16055,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)nn2)cn1,MMQGIAPITLTSKA-UHFFFAOYSA-N,2,1,0.418,54,411,462.42,2.947,5,0.36,0.68,1.0,0.6135031868960318,0.5810431087656774,0.4695788499760126,0.38665101775066824,0.5126940408470975
EOS-2-16056,Cc1ncnc(COc2cncc3nnc(-c4ccc(-c5ccc(=O)n(C)n5)c(F)c4)n23)c1F,YQHZPMDJLIVRGE-UHFFFAOYSA-N,2,1,0.447,4,677,462.42,2.508,5,0.392,0.64,0.997,0.48050167911726405,0.4440237132478925,0.3863597423069015,0.3543023096429306,0.4162968610787472
EOS-2-16057,COc1cccnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,SPLXLNYMAQRUGC-UHFFFAOYSA-N,2,1,0.474,7,69,462.42,3.564,5,0.358,0.66,1.0,0.6477708861627031,0.6148139263929819,0.5486001644849565,0.3929734082653691,0.5510395963265027
EOS-2-16058,Cn1nc(-c2cc(F)c(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)ccc1=O,GPNVIEAMAQBHEW-UHFFFAOYSA-N,2,1,0.426,58,954,462.42,2.242,5,0.353,0.64,0.65,0.497806867246933,0.3262713316427935,0.2934857103694058,0.3070899869782743,0.35616347405935167
EOS-2-16059,OCc1cnc(-c2cc(F)c(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)cn1,BWFCVLDOLZBBOD-UHFFFAOYSA-N,2,1,0.458,87,699,462.42,2.43,5,0.388,0.64,1.0,0.6814988691659242,0.5910835446508121,0.4010263175930368,0.3959461311767528,0.5173887156466315
EOS-2-16060,COc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)ncn2)cn1,SDRWGFMMFGVIAU-UHFFFAOYSA-N,2,1,0.545,18,481,462.42,2.947,5,0.36,0.63,0.946,0.7451939551778494,0.5064337605373175,0.5451476937838393,0.4560088410664108,0.5631960626413542
EOS-2-16061,COc1nc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cc(F)c(F)cn1,RTODYNUYBZHBDC-UHFFFAOYSA-N,2,1,0.434,49,361,462.42,2.947,5,0.36,0.61,0.999,0.7359845109999315,0.5105801521485848,0.46239976697964497,0.3834298540196011,0.5230985710369406
EOS-2-16062,COc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1ncc(F)c(C)n1,RXYHQLCXQDBHFK-UHFFFAOYSA-N,2,1,0.404,49,122,462.42,3.213,5,0.351,0.7,1.0,0.633018641628401,0.5427917894592557,0.2864008635460215,0.20881022548146116,0.4177553800287849
EOS-2-16063,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnn(C6COC6)c5)nn4)n23)c1F,VYEVFKXGDVKSTH-UHFFFAOYSA-N,2,1,0.402,54,44,462.42,2.873,6,0.379,0.62,0.849,0.43292097868549106,0.36032485778904805,0.4833373312315811,0.5226252484408197,0.44980210403673504
EOS-2-16064,COc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1ncc(F)cn1,PNYSOPKBVYIJTM-UHFFFAOYSA-N,2,1,0.42,49,896,462.42,2.947,5,0.337,0.64,1.0,0.7913782468645055,0.5757744500034268,0.2567250359810842,0.21502124597354533,0.4597247447056404
EOS-2-16065,COc1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ncc(F)cn1,NOCGJOTUIGCEJP-UHFFFAOYSA-N,2,1,0.439,49,896,462.42,2.947,5,0.36,0.64,0.999,0.7482523473373998,0.5810516756904941,0.24263244465766567,0.215029812898362,0.4467415701459804
EOS-2-16066,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncc(F)cn1,WOUZKVODMXHELA-UHFFFAOYSA-N,2,1,0.447,18,896,462.42,2.947,5,0.36,0.61,1.0,0.7942653005277226,0.6099307792474813,0.35261462545404704,0.29129257761633887,0.5120258207113975
EOS-2-16067,FC(F)Oc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)cn1,UZBZVSHFIYQXHB-UHFFFAOYSA-N,2,1,0.411,18,840,462.42,3.261,5,0.343,0.78,1.0,0.5492598176958399,0.5957182509766294,0.5248269481187033,0.4496950174765266,0.5298750085669248
EOS-2-16068,O=C(NC(F)F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cc1,NDBKOFZPZXFUHM-UHFFFAOYSA-N,2,1,0.527,89,731,462.42,2.903,5,0.37,0.72,1.0,0.36565348502501543,0.22973065588376396,0.6331728462751011,0.4686450551709958,0.4243005105887191
EOS-2-16069,COc1nc(OC(F)F)ncc1-c1nnc2cncc(-c3ccc(-c4ccc(C)nn4)cc3)n12,QJJBJVRKKPGPEJ-UHFFFAOYSA-N,2,1,0.341,61,697,462.42,3.624,5,0.373,0.72,1.0,0.4952967582756494,0.3555702145157974,0.4868669042560482,0.36433417860324857,0.4255170139126859
EOS-2-16070,Cc1nc(-c2nnc(-c3cncc4nnc(-c5ccc(F)c(-c6nnc(C)o6)c5)n34)s2)no1,DFOXVNVAPMOASW-UHFFFAOYSA-N,2,1,0.313,98,424,462.43,3.166,6,0.38,0.62,1.0,0.2892536495099719,0.4218182441230896,0.017219518881502294,0.02689157699952025,0.18879574737852103
EOS-2-16071,COc1cc(-c2n[nH]c(C)n2)ccc1-c1nnc2cncc(OCc3ncc([N+](=O)[O-])n3C)n12,KSLINGYNTKLVHT-UHFFFAOYSA-N,2,1,0.379,36,375,462.43,2.114,5,0.28,0.59,0.999,0.3631862106778151,0.16168357206497155,0.01985813172503598,0.0020474950311836063,0.13669385237475157
EOS-2-16072,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)c(F)c4)n23)cc1F,TZIDFQPTLWBYAF-UHFFFAOYSA-N,2,1,0.75,79,590,462.431,5.622,5,0.314,0.76,1.0,0.9845966691796313,0.9909190596943321,0.969647385374546,0.9637190734014118,0.9772205469124803
EOS-2-16073,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)cc1,MVHNSYATDDOTHE-UHFFFAOYSA-N,2,1,0.685,79,640,462.431,5.936,5,0.313,0.82,1.0,0.9890257693098485,0.9613203344527449,0.9902080049345487,0.9814097731478308,0.9804909704612432
EOS-2-16074,OCc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)cc1,HANBAPZZHRQQFU-UHFFFAOYSA-N,2,1,0.658,79,528,462.431,5.762,5,0.36,0.84,1.0,0.9783856486875471,0.9568055650743609,0.9963504900280995,0.9920327599204989,0.9808936159276266
EOS-2-16075,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(OC(F)F)cc5)c4)n23)c1,NIYCPOFLKLQUGO-UHFFFAOYSA-N,2,1,0.709,79,640,462.431,5.778,5,0.307,0.81,1.0,0.9793108765677473,0.9767836337468302,0.9856247001576314,0.9822578987046809,0.9809942772942225
EOS-2-16076,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(OCc5ccccc5)c(F)c4)n23)c1,JWRWNSQUWPDDGQ-UHFFFAOYSA-N,2,1,0.598,79,397,462.431,5.367,5,0.326,0.72,1.0,0.9828147488177644,0.9713008018641628,0.9779915701459804,0.9712151326159961,0.9758305633609758
EOS-2-16077,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)F)n34)cc2)cc1,UNXMFGYBAAOCGF-UHFFFAOYSA-N,2,1,0.679,79,23,462.431,5.778,5,0.307,0.83,1.0,0.9934720032896991,0.9845709684051813,0.9840826536906312,0.9788482626276471,0.9852434720032897
EOS-2-16078,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)c4)n23)cc1,FYBMKSWDEWWEEK-UHFFFAOYSA-N,2,1,0.718,79,640,462.431,5.936,5,0.313,0.78,1.0,0.9856846686313481,0.9655609622369954,0.9913559728599822,0.9831488588856144,0.9814376156534851
EOS-2-16079,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)cc1,NLAYURLIDSZYOY-UHFFFAOYSA-N,2,1,0.671,79,590,462.431,6.181,5,0.302,0.82,1.0,0.9870553766020149,0.9538756767870605,0.9935062709889658,0.9838513467205812,0.9795721677746556
EOS-2-16080,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c(F)c2)cc1,RYJNUGPZFBPYBT-UHFFFAOYSA-N,2,1,0.658,79,528,462.431,6.3,5,0.296,0.81,1.0,0.9790024672743473,0.987595092865465,0.9877321636625317,0.9811441984785142,0.9838684805702145
EOS-2-16081,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cc4)n23)cc1,ZVYGDJWKOOJGIB-UHFFFAOYSA-N,2,1,0.75,79,640,462.431,5.936,5,0.313,0.85,1.0,0.9914245082585155,0.9631193886642451,0.9918442875745322,0.9838599136453978,0.9825620245356727
EOS-2-16082,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Oc5ccccc5)c4)n23)c(F)c1F,KZLLJBQXNSLJLZ-UHFFFAOYSA-N,2,1,0.646,79,590,462.431,5.622,5,0.294,0.82,1.0,0.9648413405523953,0.9808186553354807,0.9641302857926118,0.9550579124117606,0.9662120485230621
EOS-2-16083,Fc1cccc(-c2nnc3cncc(OCCc4cc(F)c(Oc5ccccc5)cc4F)n23)c1,GJYZHAAXGZRRKG-UHFFFAOYSA-N,2,1,0.671,79,590,462.431,5.622,5,0.314,0.75,1.0,0.9467993968884929,0.9730056199026798,0.962322664656295,0.9576708244808444,0.959949626482078
EOS-2-16084,Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)nn1,DGNZZLGDOQAFHN-UHFFFAOYSA-N,2,1,0.554,1,138,462.435,5.155,5,0.359,0.73,1.0,0.9138852717428552,0.860247755465698,0.977049208416147,0.9407511479679255,0.9229833458981564
EOS-2-16085,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)cc2)nn1,ZWXOKIQQEVHSJL-UHFFFAOYSA-N,2,1,0.556,1,138,462.435,5.155,5,0.359,0.74,1.0,0.8998183811938867,0.8602563223905147,0.9785484202590639,0.9424216983071757,0.9202612055376602
EOS-2-16086,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cn2)cc1F,OOFWUIQBNAXBGR-UHFFFAOYSA-N,2,1,0.548,84,672,462.435,4.596,5,0.367,0.72,1.0,0.921989582619423,0.9497121513261599,0.9005637036529367,0.8789750531149338,0.9128101226783634
EOS-2-16087,FC(F)(F)c1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c1,ZMHJYNNWHRFUNG-UHFFFAOYSA-N,2,1,0.608,11,676,462.435,4.889,5,0.358,0.82,1.0,0.8614299910903982,0.9071088342128709,0.97493317798643,0.9407597148927421,0.9210579295456104
EOS-2-16088,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)nc4)n23)cn1,RFXKOMLCRCFRCV-UHFFFAOYSA-N,2,1,0.663,1,676,462.435,4.889,5,0.358,0.84,1.0,0.9375214173120416,0.9310705229250908,0.9423360290590089,0.8761651017750668,0.9217732677678021
EOS-2-16089,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccc2F)cc1F,AUZTVJDXZSSVFA-UHFFFAOYSA-N,2,1,0.5,59,606,462.435,4.861,5,0.371,0.64,1.0,0.9077941881982043,0.887841820300185,0.9285261462545404,0.8900949215269687,0.9035642690699746
EOS-2-16090,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5C(F)(F)F)n34)cn2)cn1,IWPWZUDCBBNBRA-UHFFFAOYSA-N,2,1,0.506,1,676,462.435,5.155,5,0.359,0.82,1.0,0.8678894524021658,0.8477743129326297,0.9756699335206634,0.9314046329929409,0.9056845829621
EOS-2-16091,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(OC(F)(F)F)c5)n34)cc2)c(C)n1,WXFNOJKTLMYSMT-UHFFFAOYSA-N,2,1,0.4,96,697,462.435,5.431,5,0.354,0.84,1.0,0.6190459872524159,0.7570420121993009,0.965492426838462,0.9189140566102392,0.8151236207251045
EOS-2-16092,Fc1cccc2c1CC(Oc1cncc3nnc(-c4cccc(-c5cnn(C(F)F)c5)c4)n13)C2,XLANNFCURYBVDV-UHFFFAOYSA-N,2,1,0.453,91,322,462.435,4.735,6,0.378,0.58,1.0,0.5876482077993284,0.7345624014803646,0.9448033034062093,0.9321242546775409,0.7997845418408608
EOS-2-16093,Cc1ccc(F)cc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,KXKLGWUOMAGZRP-UHFFFAOYSA-N,2,1,0.529,27,92,462.435,5.212,5,0.345,0.66,1.0,0.8131639366732918,0.9049157014598039,0.9423445959838257,0.9020372147214036,0.8906153622095813
EOS-2-16094,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCCc5ccc(F)c(F)c5)n34)nc2)cn1,ZYHJAESJALFFBZ-UHFFFAOYSA-N,2,1,0.511,59,384,462.435,4.677,5,0.258,0.71,1.0,0.9404170379000754,0.895680556507436,0.8791206908368172,0.8789836200397505,0.8985504763210198
EOS-2-16095,c1cc(-c2ncc(-c3nnc4cncc(OCc5cnnc(-c6cnccn6)n5)n34)cn2)ccn1,XQDUSRFENVPYPQ-UHFFFAOYSA-N,2,1,0.413,80,34,462.437,1.864,6,0.354,0.64,0.997,0.3748457953533,0.24527105750119937,0.05422863408950723,0.05236104447947365,0.18167663285587007
EOS-2-16096,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cncnc6)n5)n34)nn2)cn1,XBGTVLHTQRNGRV-UHFFFAOYSA-N,2,1,0.327,80,277,462.437,1.864,6,0.354,0.59,0.992,0.34962476869302994,0.26011753820848466,0.06776437529984237,0.061056473168391474,0.18464078884243712
EOS-2-16097,Cn1nc(-c2ccc(C#N)nc2)cc1Oc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,KIGUQHAQUNOTDF-UHFFFAOYSA-N,2,1,0.347,67,789,462.437,2.431,6,0.403,0.64,1.0,0.44231032828455896,0.36497669796449866,0.27545233363032007,0.217557055719279,0.3250741038996642
EOS-2-16098,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1c(C)oc(=O)n1C,HSIXTTHEHLPWRJ-UHFFFAOYSA-N,2,1,0.495,16,458,462.441,3.18,5,0.354,0.55,1.0,0.5936793228702625,0.4440322801727092,0.4151360427660887,0.27658316770612024,0.4323577033787951
EOS-2-16099,COc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cnc(C)o5)c(OC)c4)n23)n1,DAWOUELODYORTC-UHFFFAOYSA-N,2,1,0.447,4,83,462.441,3.885,5,0.356,0.69,1.0,0.745202522102666,0.6626430676444384,0.5283993557672538,0.2913011445411555,0.5568865225138784
EOS-2-16100,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)c1-c1ccc(F)c(F)c1,WFUUNMCGOLQYBO-UHFFFAOYSA-N,2,1,0.31,76,653,462.445,4.249,6,0.386,0.65,0.995,0.25964635734356795,0.3262798985676102,0.5076759646357344,0.5689637447741759,0.41564149133027206
EOS-2-16101,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)s5)n34)cc2)cc1,YWOQCHISBHPAJS-UHFFFAOYSA-N,2,1,0.385,93,651,437.553,6.31,6,0.324,0.76,1.0,0.17133849633335618,0.22973922280858064,0.686947433349325,0.7446885066136659,0.45817841477623195
EOS-2-16102,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)s5)n34)cc2)nc1,MYZNYYDCGJNRTP-UHFFFAOYSA-N,2,1,0.348,32,126,437.553,6.31,6,0.324,0.76,1.0,0.11932012884654924,0.2143358919882119,0.6396066068124187,0.6789459255705572,0.41305213830443427
EOS-2-16103,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)cn2)cc1,QNAQHXTUHKUIKM-UHFFFAOYSA-N,2,1,0.303,30,93,437.553,6.31,6,0.324,0.78,1.0,0.0657083133438421,0.11181550270714824,0.642664998971969,0.7017767802069769,0.38049139880748406
EOS-2-16104,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)s5)n34)cc2)cc1,MJTIDCVAEOYBLV-UHFFFAOYSA-N,2,1,0.403,93,651,437.553,6.31,6,0.324,0.8,1.0,0.13056850113083407,0.2500599684737167,0.6037625933794805,0.6728805428003564,0.4143179014460969
EOS-2-16105,Fc1cccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cccnc6)nn5)n34)cc2)n1,FJHMSDAXDYEKEX-UHFFFAOYSA-N,2,1,0.384,77,323,462.448,4.637,6,0.342,0.6,1.0,0.8210540744294428,0.7161349461997122,0.6457148242067028,0.6179751216503324,0.7002197416215475
EOS-2-16106,O=c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)nc5)n34)cc2)n[nH]1,LAAMQELTSHMQGF-UHFFFAOYSA-N,2,1,0.291,69,57,462.448,3.805,6,0.396,0.69,0.728,0.37948906860393394,0.39845624014803643,0.6762901788773902,0.6671492700980056,0.5303461894318415
EOS-2-16107,Fc1ccc(-c2cnc(Oc3cncc4nnc(-c5cccnc5-c5ccccc5)n34)cn2)cn1,AGUIPHDMBKRHMA-UHFFFAOYSA-N,2,1,0.34,41,797,462.448,4.637,6,0.342,0.66,1.0,0.6963624837228428,0.6238691659241998,0.5684668631348091,0.5623929134397917,0.6127728565554108
EOS-2-16108,Fc1cnc(-c2ccc(Oc3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nc2)nc1,KNKAZKLGDCNMBJ-UHFFFAOYSA-N,2,1,0.356,41,797,462.448,4.637,6,0.365,0.68,1.0,0.672375094236173,0.6195257350421493,0.479884860530464,0.48065588376396406,0.5631103933931876
EOS-2-16109,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cn1,NIMDLKVGRSFSSE-UHFFFAOYSA-N,2,1,0.427,41,25,462.448,4.637,6,0.342,0.7,1.0,0.8311373449386609,0.786932012884655,0.6762987458022068,0.6210420807346995,0.7288525460900556
EOS-2-16110,Fc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)nc1,VDJOKFJTPDDEAL-UHFFFAOYSA-N,2,1,0.417,41,120,462.448,4.637,6,0.365,0.81,1.0,0.7657631416626688,0.7252501542046467,0.5845384140908779,0.5461157562881228,0.655416866561579
EOS-2-16111,CCCOc1ncc(-c2nnc3cncc(OCc4cnnc(-c5ncnn5C)c4)n23)cc1F,BNPOBXLOPPVRIR-UHFFFAOYSA-N,2,1,0.398,92,986,462.449,2.279,5,0.338,0.65,0.968,0.44697930230964295,0.32628846549242685,0.06372935371119183,0.041935096977588925,0.21973305462271264
EOS-2-16112,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5F)n34)nc2)nn1,DZXXKHNTZQFSEY-UHFFFAOYSA-N,2,1,0.338,42,608,462.452,3.61,6,0.387,0.63,1.0,0.32285312864094307,0.4484785141525598,0.3079980810088411,0.31928928791720923,0.34965475292988824
EOS-2-16113,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(-c6cnccn6)c5)n34)cn2)nn1,LGRXYHCXJZAJDI-UHFFFAOYSA-N,2,1,0.313,86,596,462.452,3.61,6,0.387,0.6,1.0,0.32801041738057707,0.39356452607771913,0.4298197519018573,0.440065793982592,0.3978651223356864
EOS-2-16114,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cn2)cc1F,HLBVTVZOGFEYNO-UHFFFAOYSA-N,2,1,0.322,70,392,462.452,3.61,6,0.387,0.72,0.997,0.27289939003495306,0.3218593653622096,0.490173737235282,0.46243403467891164,0.38684163182783915
EOS-2-16115,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)nc2)nn1,POAQCYOWNXBVHB-UHFFFAOYSA-N,2,1,0.318,70,392,462.452,3.61,6,0.362,0.72,1.0,0.2596549242683846,0.3262970324172435,0.404632992940854,0.39595469810156947,0.3466349119320129
EOS-2-16116,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(F)cn6)n5)n34)cc2)nn1,BVLJYIHXTVBGEZ-UHFFFAOYSA-N,2,1,0.31,38,186,462.452,3.61,6,0.387,0.72,0.994,0.2864351312452882,0.37480296072921665,0.3301864162840107,0.3643427455280652,0.3389418134466452
EOS-2-16117,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cn5)n34)cc2)nn1,YDTZUZATZPBZCM-UHFFFAOYSA-N,2,1,0.323,38,608,462.452,3.61,6,0.387,0.68,1.0,0.3181070522925091,0.35557878144061406,0.28996470426975535,0.2913097114659722,0.31374006236721264
EOS-2-16118,Cc1cnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nn1,TZGGTHODKZYRON-UHFFFAOYSA-N,2,1,0.314,42,171,462.452,3.61,6,0.387,0.69,1.0,0.3131468028236584,0.4126602014940717,0.41514460969090533,0.4371102049208416,0.39451545473236926
EOS-2-16119,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)c(F)c2)nn1,VIICWJVNNNQVHM-UHFFFAOYSA-N,2,1,0.318,98,424,462.452,3.61,6,0.387,0.67,0.996,0.2919607977520389,0.38406380645603455,0.47608114591186346,0.46865362209581246,0.40518984305393735
EOS-2-16120,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2OC(F)F)cn1,KKKFHJPICKPEJK-UHFFFAOYSA-N,2,1,0.7,91,309,462.46,4.415,5,0.34,0.7,1.0,0.7389658008361318,0.782699952025221,0.8791292577616339,0.8046569803303406,0.8013629977383318
EOS-2-16121,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)nn1C,GWPHBHUEYFQPDW-UHFFFAOYSA-N,2,1,0.74,1,431,462.46,4.681,5,0.349,0.84,1.0,0.6995493797546433,0.682149955451991,0.8805256665067507,0.7844133369885546,0.7616595846754849
EOS-2-16122,COc1ccccc1-c1c(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(C)nn1C,GVUTXMYFIBBREA-UHFFFAOYSA-N,2,1,0.481,61,697,462.46,4.777,5,0.362,0.72,1.0,0.2463333561784662,0.32630559934206016,0.7651291892262353,0.672889109725173,0.5026643136179837
EOS-2-16123,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)c1,CMCNKZQCVLXQKG-UHFFFAOYSA-N,2,1,0.732,91,322,462.46,4.68,5,0.333,0.71,1.0,0.7539407854156672,0.8340158316770612,0.8841666095538345,0.7678791720923858,0.8100005996847371
EOS-2-16124,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1-c1nccn1C,VBRGGBOJAYWBBK-UHFFFAOYSA-N,2,1,0.562,91,313,462.46,4.1,5,0.362,0.71,1.0,0.8105681584538414,0.6003872250017134,0.7961757247618395,0.6820642862038243,0.7222988486053047
EOS-2-16125,OCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cc2)cn1,QHNWFJWRGSDJEL-UHFFFAOYSA-N,2,1,0.58,91,322,462.46,3.547,5,0.379,0.7,1.0,0.6330272085532177,0.5810602426153109,0.7938540881365225,0.7575988623123844,0.6913851004043589
EOS-2-16126,COc1cc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)ccc1-c1cnn(C)c1,URQPOXKTUPVSDG-UHFFFAOYSA-N,2,1,0.583,91,752,462.46,4.1,5,0.362,0.67,1.0,0.7056575971489274,0.6195343019669659,0.8582602289082311,0.7655404016174354,0.73724813241039
EOS-2-16127,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCCOc4cccc(F)c4F)n23)cc1,DFGRYJQKPSBMHP-UHFFFAOYSA-N,2,1,0.473,91,781,462.46,4.318,5,0.32,0.79,1.0,0.8131725035981084,0.6381844972928518,0.7897762319237887,0.7342539921869645,0.7438468062504283
EOS-2-16128,CCn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)cn1,SKNVFGVJHUQXHH-UHFFFAOYSA-N,2,1,0.73,1,322,462.46,4.855,5,0.328,0.77,1.0,0.5154118977451854,0.5661452265094922,0.8959889658008361,0.8234956480021931,0.7002604345144267
EOS-2-16129,COc1cc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)ccc1-c1ccn(C)n1,ITZYIKNIPUELCK-UHFFFAOYSA-N,2,1,0.545,91,803,462.46,4.1,5,0.362,0.71,1.0,0.7147471043794119,0.6821585223768076,0.804571311082174,0.7017853471317935,0.7258155712425468
EOS-2-16130,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1-c1nccn1C,ZYOSPTLKSDCTGH-UHFFFAOYSA-N,2,1,0.534,91,313,462.46,4.1,5,0.362,0.7,1.0,0.8105767253786581,0.6285295730244671,0.7897847988486053,0.6876756219587417,0.729141679802618
EOS-2-16131,COc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4cncn4C)c(F)c3)n12,NTOQVSQXDHNUIK-UHFFFAOYSA-N,2,1,0.538,88,70,462.46,4.1,5,0.362,0.79,1.0,0.870151120553766,0.6920790213145089,0.8457096840518128,0.7499057638270167,0.7894613974367761
EOS-2-16132,COc1cc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)ccc1-c1cnn(C)c1,GZAUKQCYFLYTOQ-UHFFFAOYSA-N,2,1,0.558,91,803,462.46,4.1,5,0.362,0.65,1.0,0.7211037625933795,0.672375094236173,0.8472774312932629,0.7525101089712837,0.7483165992735248
EOS-2-16133,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1cncn1C,FKYKEFVKOSOPOU-UHFFFAOYSA-N,2,1,0.67,91,313,462.46,4.1,5,0.362,0.78,1.0,0.8614385580152149,0.6195428688917826,0.8642056747309985,0.762816119525735,0.7770008052909327
EOS-2-16134,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1-c1cncn1C,LOXMODZMVGSHTM-UHFFFAOYSA-N,2,1,0.522,91,313,462.46,4.1,5,0.362,0.74,1.0,0.8237012541977932,0.6381930642176684,0.8508412720169968,0.757607429237201,0.7675857549174149
EOS-2-16135,Cc1c(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(-c2ccccc2)nn1C,MXQTVOAGDVVULH-UHFFFAOYSA-N,2,1,0.688,1,431,462.46,4.681,5,0.349,0.74,1.0,0.5361095881022548,0.6148224933177986,0.7078935645260778,0.6527568364060037,0.6278956205880337
EOS-2-16136,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5cc(F)c(-c6ccccc6)cn5)n34)nc2)c1,XBTBKHOTLYZTBS-UHFFFAOYSA-N,2,1,0.346,93,737,462.463,5.861,6,0.328,0.84,1.0,0.2919693646768556,0.42618737577959015,0.9090278253718045,0.9364762524844082,0.6409152045781646
EOS-2-16137,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)c(F)c5)n34)cc2)nc1,VFGVZKLZUDPWRG-UHFFFAOYSA-N,2,1,0.342,69,484,462.463,5.861,6,0.328,0.8,1.0,0.3587142759235145,0.5291446782263038,0.9435525323829758,0.9505431430333767,0.6954886573915428
EOS-2-16138,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccnc(F)c6)c5)n34)cc2)cc1,HTKTUKYUVORGKW-UHFFFAOYSA-N,2,1,0.4,69,30,462.463,5.861,6,0.307,0.79,1.0,0.3817250359810842,0.5864060037009116,0.955357754780344,0.961782948392845,0.7213179357137962
EOS-2-16139,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cc2)nc1,CMRDCKNAHYMEDP-UHFFFAOYSA-N,2,1,0.36,69,958,462.463,5.861,6,0.307,0.78,1.0,0.3794976355287506,0.5291532451511205,0.9423531629086424,0.9471420738811597,0.6995365293674183
EOS-2-16140,Fc1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)cnc1F,FOYJPPMIWWMEMF-UHFFFAOYSA-N,2,1,0.384,93,987,462.463,5.861,6,0.307,0.77,1.0,0.3540367349736139,0.5064423274621342,0.944811870331026,0.9511942293194435,0.6891212905215545
EOS-2-16141,Fc1cccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)ncc2F)c1,HQDLMGHXYDTGTP-UHFFFAOYSA-N,2,1,0.39,93,107,462.463,5.861,6,0.328,0.73,1.0,0.36786375162771573,0.5568672469330409,0.8568723870879309,0.9020457816462203,0.6709122918237269
EOS-2-16142,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cn2)cc1,SABOUTMERSRSAM-UHFFFAOYSA-N,2,1,0.373,69,958,462.463,5.861,6,0.307,0.82,1.0,0.2837536837776712,0.5199780686724693,0.942361729833459,0.9512027962442602,0.6743240696319649
EOS-2-16143,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cn2)c1,DRSIYAAGVBECHL-UHFFFAOYSA-N,2,1,0.38,69,30,462.463,5.861,6,0.307,0.8,1.0,0.264983551504352,0.48326879583304777,0.9388321568089918,0.9492495373860599,0.6590835103831129
EOS-2-16144,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cccnc6)c5)n34)cc2)cnc1F,PISKAGJIILIUKE-UHFFFAOYSA-N,2,1,0.346,69,30,462.463,5.861,6,0.307,0.75,1.0,0.3517150983482969,0.4792080734699472,0.9483243095058598,0.9518967171544103,0.6827860496196285
EOS-2-16145,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nc2)nc1,FXIQTZBXOHYFSX-UHFFFAOYSA-N,2,1,0.4,93,479,462.463,5.861,6,0.328,0.75,1.0,0.3280189843053937,0.5476492358303063,0.9274724145020903,0.9407682818175588,0.6859772291138373
EOS-2-16146,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)c1F,HABPFDYHLAJDJI-UHFFFAOYSA-N,2,1,0.338,30,93,462.463,5.861,6,0.328,0.79,1.0,0.3280275512302104,0.4879463367829484,0.9233003221163731,0.9337776711671578,0.6682629703241725
EOS-2-16147,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)c(F)c1,HJWNBAZDHJAHQG-UHFFFAOYSA-N,2,1,0.408,93,107,462.463,5.861,6,0.328,0.8,1.0,0.3972483037488863,0.6334555547940511,0.9184514426701391,0.9364848194092249,0.7214100301555754
EOS-2-16148,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)cn5)n34)cc2)cc1F,JWPXHPISPPUHMP-UHFFFAOYSA-N,2,1,0.355,69,30,462.463,5.861,6,0.328,0.8,1.0,0.345007196216846,0.5616475909807416,0.9489496950174765,0.9550664793365773,0.7026677403879104
EOS-2-16149,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)cn5)n34)cc2)cc1,XPAVPRQQEVIFNH-UHFFFAOYSA-N,2,1,0.417,93,107,462.463,5.861,6,0.307,0.81,1.0,0.3701596874785827,0.5910921115756288,0.9388407237338086,0.947801727092043,0.7119735624700158
EOS-2-16150,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)cn5)n34)cc2)cc1,CRENFGOTOOTXBI-UHFFFAOYSA-N,2,1,0.408,69,30,462.463,5.861,6,0.328,0.84,1.0,0.35172366527311355,0.5757830169282434,0.9429614145706258,0.9543725584264272,0.7062101637996024
EOS-2-16151,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)ccc1-c1ccccc1,IBPGAOOWEJNDNY-UHFFFAOYSA-N,2,1,0.385,93,651,462.463,5.861,6,0.307,0.76,1.0,0.35404530189843053,0.492495373860599,0.9293571379617572,0.9398773216366253,0.678943783839353
EOS-2-16152,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cc2)c1,DLRBNSHFRUPFOB-UHFFFAOYSA-N,2,1,0.356,69,958,462.463,5.861,6,0.307,0.76,1.0,0.3724127887053663,0.5105887190734014,0.952033787951477,0.957679391405661,0.6981786717839764
EOS-2-16153,FCCCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ccc2F)cn1,QDJPKHNRFCUHJK-UHFFFAOYSA-N,2,1,0.516,26,361,462.464,3.565,5,0.33,0.69,1.0,0.6631742169830718,0.547657802755123,0.38275306695908434,0.40218285244328694,0.4989419847851415
EOS-2-16154,CCn1cc(CCOc2cncc3nnc(-c4ccnc(-c5cnc(F)c(F)c5)c4)n23)c(C)n1,HXSXAXARURWYSF-UHFFFAOYSA-N,2,1,0.479,75,329,462.464,3.673,5,0.341,0.68,1.0,0.32543177301076004,0.3066359399629909,0.36752964155986567,0.32868720444109384,0.3320711397436776
EOS-2-16155,CC(C)n1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)n1,NTNSIJRKSVHVKI-UHFFFAOYSA-N,2,1,0.75,91,781,462.464,3.925,5,0.362,0.68,1.0,0.7568621067781509,0.6334641217188678,0.4337005688438078,0.390137756151052,0.5535411383729696
EOS-2-16156,CC(C)n1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1cncc(F)c1,ALRIESFCUKFRKI-UHFFFAOYSA-N,2,1,0.432,95,569,462.464,3.925,5,0.362,0.68,0.707,0.4238571722294565,0.2552515249126174,0.4555547940511274,0.4085480775820711,0.38580289219381814
EOS-2-16157,c1ccc(Oc2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)cc1,JDDLEFBCWKZPFF-UHFFFAOYSA-N,2,1,0.566,17,593,462.469,5.213,6,0.319,0.72,1.0,0.7241278870536633,0.519986635597286,0.7029590158316771,0.6356401206223015,0.645678414776232
EOS-2-16158,O=c1ccccn1-c1cccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)cc4)n23)c1,JMYFQVOQMBQIRI-UHFFFAOYSA-N,2,1,0.484,77,427,462.469,4.176,6,0.366,0.64,1.0,0.4978154341717497,0.2193646768555959,0.6733859913645398,0.6179836885751491,0.5021374477417586
EOS-2-16159,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cn2)cc1,NCMIFIIHKAOAKP-UHFFFAOYSA-N,2,1,0.523,17,960,462.469,5.213,6,0.319,0.75,1.0,0.6330357754780344,0.34074086765814543,0.6513432938112536,0.5393136179836886,0.5411083887327806
EOS-2-16160,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)cc5)n34)cc2)c[nH]1,DAJFJZZECLJAGB-UHFFFAOYSA-N,2,1,0.489,12,427,462.469,4.381,6,0.391,0.66,1.0,0.7115773421972449,0.42182681104790626,0.7675964635734357,0.710129531903228,0.6527825371804536
EOS-2-16161,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)cc2)cc1,ZLYZTFINLOOAJY-UHFFFAOYSA-N,2,1,0.585,17,593,462.469,5.213,6,0.319,0.7,1.0,0.67549345486944,0.4440408470975259,0.6977331916935097,0.6356486875471181,0.6132290453018985
EOS-2-16162,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2)cc1,NLZGFBSMEVNPIS-UHFFFAOYSA-N,2,1,0.615,17,593,462.469,5.213,6,0.319,0.69,1.0,0.717865465012679,0.4396203138921253,0.7130508532657117,0.6471626345007196,0.6294248166678089
EOS-2-16163,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)cc1,OFQVCTLKXPYHOD-UHFFFAOYSA-N,2,1,0.588,17,593,462.469,5.213,6,0.319,0.7,1.0,0.702445000342677,0.44848708107737645,0.7130594201905284,0.6442498800630526,0.6270603454184086
EOS-2-16164,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)on1,OIVITJUKEPIACJ-UHFFFAOYSA-N,2,1,0.467,40,518,462.473,4.186,6,0.359,0.78,1.0,0.48303748886299774,0.3649852648893153,0.344801590021246,0.2854413679665547,0.3695664279350285
EOS-2-16165,Cc1nnc(-c2cnnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)o1,VUVUHHKZLXMENI-UHFFFAOYSA-N,2,1,0.472,12,285,462.473,4.186,6,0.359,0.69,1.0,0.439988691659242,0.4261959427044068,0.31558837639640874,0.3192978548420259,0.3752677164005208
EOS-2-16166,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)ccn2)nn1,YMDCIBKBPZBGGM-UHFFFAOYSA-N,2,1,0.494,81,120,462.473,4.186,6,0.359,0.7,1.0,0.49530532520046605,0.35057569734768007,0.4337091357686245,0.35431087656774723,0.40847525872112944
EOS-2-16167,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cc2)o1,NGULTJFAJHNSME-UHFFFAOYSA-N,2,1,0.524,77,323,462.473,4.186,6,0.359,0.67,1.0,0.5761256939209102,0.4032537180453704,0.43741861421424166,0.3543194434925639,0.4427793674182715
EOS-2-16168,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ccno6)n5)n34)c2)cn1,BQGNOYMOETXIHN-UHFFFAOYSA-N,2,1,0.484,28,667,462.473,4.186,6,0.359,0.62,1.0,0.32544033993557675,0.26544616544445204,0.4112980604482215,0.32250188472345964,0.3311716126379275
EOS-2-16169,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cc2)o1,YQORRMYICIXXCH-UHFFFAOYSA-N,2,1,0.506,77,323,462.473,4.186,6,0.359,0.75,1.0,0.562178740319375,0.43066787745870744,0.4113066273730382,0.3481426906997464,0.43807398396271674
EOS-2-16170,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccon6)n5)n34)cc2)cn1,YJZLZKKXRPCNHE-UHFFFAOYSA-N,2,1,0.511,28,120,462.473,4.186,6,0.359,0.6,1.0,0.4680111027345624,0.3603334247138647,0.40811973134123775,0.3163936673291755,0.38821448152971005
EOS-2-16171,Cc1nc(-c2cnnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)no1,BSJSMLHCYZKGLI-UHFFFAOYSA-N,2,1,0.472,12,285,462.473,4.186,6,0.359,0.71,1.0,0.4494294428072099,0.4032622849701871,0.29349427729422245,0.3037831539990405,0.362492289767665
EOS-2-16172,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(C)nc3-c3cccnc3)n12,WTUDIHUAIBDECW-UHFFFAOYSA-N,2,1,0.289,9,339,462.473,4.282,6,0.37,0.65,0.94,0.2919779316016723,0.12476869302994997,0.40464155986567063,0.31331814131999175,0.2836765814543212
EOS-2-16173,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)cc1,YAVKKMINKDHRHU-UHFFFAOYSA-N,2,1,0.588,17,960,462.473,4.343,6,0.372,0.78,1.0,0.6599530532520047,0.4617315468439449,0.6006613665958468,0.54928551847029,0.5679078712905216
EOS-2-16174,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(-c6nnco6)cc5)ccn4)n23)ccn1,CMPOHNQREAJJEE-UHFFFAOYSA-N,2,1,0.409,77,2,462.473,4.186,6,0.359,0.65,1.0,0.4880320060311151,0.27590638064560347,0.48687547118086494,0.39914159413336986,0.41248886299773835
EOS-2-16175,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cccc(C)n4)cn3)n12,UTSDNOQTMLXUIP-UHFFFAOYSA-N,2,1,0.268,30,179,462.473,4.282,6,0.37,0.66,0.692,0.22721197998766363,0.07950106229867726,0.42275203892810637,0.31332670824480846,0.2606979473648139
EOS-2-16176,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)ccn2)no1,PGGVGHWBFAMGJU-UHFFFAOYSA-N,2,1,0.478,28,120,462.473,4.186,6,0.359,0.71,1.0,0.5205691864848194,0.3890240559248852,0.3045798780069906,0.2706548557329861,0.3712069940374203
EOS-2-16177,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccno5)n4)n23)cc1,CPCCXMCLVBDUCV-UHFFFAOYSA-N,2,1,0.474,40,25,462.473,4.186,6,0.359,0.65,1.0,0.4308906175039408,0.3263141662668768,0.31169899252964156,0.25273284901651705,0.33040915632924406
EOS-2-16178,COc1cc(-c2cccnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cnc(C)o4)nc3)n12,SITRSCSUPDGSET-UHFFFAOYSA-N,2,1,0.292,32,339,462.473,4.282,6,0.37,0.7,0.991,0.2809265985881708,0.1052275375231307,0.44478616955657596,0.3286957713659105,0.289909019258447
EOS-2-16179,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)cn5)n34)cc2)n1,IRUKLUWMQKHPJQ-UHFFFAOYSA-N,2,1,0.517,81,117,462.473,4.186,6,0.359,0.66,1.0,0.3402696867932287,0.2807895277911041,0.4624083339044617,0.377347337399767,0.3652037214721404
EOS-2-16180,Cc1nc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)no1,HEZZEHVRRGUXAY-UHFFFAOYSA-N,2,1,0.545,40,120,462.473,4.186,6,0.359,0.77,1.0,0.4329295456103077,0.34597525872112944,0.3117075594544582,0.2648207799328353,0.33885828592968265
EOS-2-16181,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccccc6)cn5)n34)cc2)o1,OLAVFZJCAGEOID-UHFFFAOYSA-N,2,1,0.467,77,937,462.473,4.186,6,0.359,0.68,1.0,0.4978240010965664,0.3748115276540333,0.29350284421903916,0.2559540127475841,0.35552309642930574
EOS-2-16182,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccc(=N)[nH]c4)cc3)n12,IKTXPNHBOHIEOQ-UHFFFAOYSA-N,2,1,0.326,9,538,462.473,3.991,6,0.396,0.69,1.0,0.40146323075868684,0.20458673154684395,0.627270235076417,0.5059797135220341,0.43482497772599543
EOS-2-16183,CCOc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,KQSCVLIWVYUVNF-UHFFFAOYSA-N,2,1,0.341,9,50,462.473,4.364,6,0.356,0.64,1.0,0.31811561921732573,0.18225275854979098,0.4968987732163663,0.40507847303132066,0.3505864060037009
EOS-2-16184,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(Oc6ccncc6)cc5)n34)cn2)c1,YQKHNGKVAUXVCN-UHFFFAOYSA-N,2,1,0.511,40,2,462.473,4.138,6,0.349,0.69,1.0,0.43089918442875746,0.29160955383455556,0.5418408608046056,0.4432612569392091,0.4269027140017819
EOS-2-16185,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cncc(C)n4)cc3)n12,AEIABXYJUBUFMX-UHFFFAOYSA-N,2,1,0.337,9,98,462.473,4.282,6,0.37,0.68,1.0,0.34501576314166266,0.1147796586937153,0.47989342745528063,0.36435131245288194,0.3260100404358851
EOS-2-16186,COc1cc(-c2ccncn2)ccc1-c1cncc2nnc(-c3ccc(-c4nnc(C)o4)cc3)n12,ZNMWSQYDOGSDRE-UHFFFAOYSA-N,2,1,0.333,9,98,462.473,4.282,6,0.37,0.68,1.0,0.3540538688232472,0.12114488383249948,0.4482129394832431,0.3320625728188609,0.3138685662394627
EOS-2-16187,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)o1,WTLCVMSTSVRUPJ-UHFFFAOYSA-N,2,1,0.449,12,285,462.473,4.186,6,0.359,0.77,1.0,0.4680196696593791,0.41266876841888833,0.2107463504900281,0.22613254746076347,0.32939183400726474
EOS-2-16188,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccncc5-c5cccnc5)n34)cc2)o1,KFNUCXKARPRWEQ-UHFFFAOYSA-N,2,1,0.472,40,25,462.473,4.186,6,0.359,0.74,1.0,0.5234905078473031,0.35558734836543077,0.4411880611335755,0.36764101158248236,0.42197673223219795
EOS-2-16189,COCc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cn2)c1,UCDNYIARPNBJHB-UHFFFAOYSA-N,2,1,0.296,42,723,462.473,4.112,6,0.36,0.69,1.0,0.29485641834007265,0.17390000685353985,0.545156260708656,0.4497035844013433,0.36590406757590294
EOS-2-16190,COc1cccc(-c2nc(C)cnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c1,WDUACLKPTNMZIE-UHFFFAOYSA-N,2,1,0.299,9,339,462.473,4.282,6,0.37,0.69,1.0,0.25424062778425055,0.10193783839353025,0.3155969433212254,0.2734905078473031,0.23631647933657735
EOS-2-16191,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)no1,HPIRULOFWIACHF-UHFFFAOYSA-N,2,1,0.5,81,120,462.473,4.186,6,0.359,0.64,1.0,0.4563772188335275,0.364993831814132,0.31171612637927487,0.2765917346309369,0.35241972791446785
EOS-2-16192,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cn5)n34)cc2)o1,XSYZOIHLVCDYQU-UHFFFAOYSA-N,2,1,0.563,81,120,462.473,4.186,6,0.359,0.74,1.0,0.40793125899527105,0.36996264820779934,0.337374066205195,0.27066342265780274,0.34648284901651705
EOS-2-16193,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)no1,CMJRNKQKHQJKNJ-UHFFFAOYSA-N,2,1,0.489,12,285,462.473,4.186,6,0.359,0.71,1.0,0.4399972585840587,0.3935730930025358,0.2281543417174971,0.2527414159413337,0.3286165273113563
EOS-2-16194,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc(C)o6)c5)n34)cn2)cn1,XJWWYFSAUISUDE-UHFFFAOYSA-N,2,1,0.292,30,598,462.473,4.282,6,0.37,0.78,1.0,0.24634192310328284,0.16546158590912205,0.3675382084846823,0.2706719895826194,0.26250342676992666
EOS-2-16195,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncncc5-c5ccccn5)n34)cc2)o1,DMMSIWLUIPTEBW-UHFFFAOYSA-N,2,1,0.484,40,25,462.473,4.186,6,0.359,0.64,1.0,0.45187101637996024,0.38903262284970186,0.37134192310328284,0.29752073195805634,0.3774415735727503
EOS-2-16196,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)o6)cn5)n34)cc2)cn1,WONBRYPCUNDEFI-UHFFFAOYSA-N,2,1,0.322,38,787,462.473,4.282,6,0.37,0.73,1.0,0.2780652456994037,0.19532588582002605,0.3791378246864506,0.2854499348913714,0.284494722774313
EOS-2-16197,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccccn6)cn5)n34)cc2)o1,RTEMEBYFFCJFEM-UHFFFAOYSA-N,2,1,0.517,40,25,462.473,4.186,6,0.359,0.72,1.0,0.4732197930230964,0.4079226920704544,0.3526231923788637,0.2734990747721198,0.37681618806113354
EOS-2-16198,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cs1,NCSUOURHTUKJEH-UHFFFAOYSA-N,2,1,0.553,35,684,437.525,5.045,5,0.372,0.75,1.0,0.6723836611609897,0.6531252141731204,0.5617332602289082,0.5331282982660545,0.6050926084572682
EOS-2-16199,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,ZPDDVZCZVYNKPA-UHFFFAOYSA-N,2,1,0.442,81,363,462.477,3.018,6,0.367,0.67,1.0,0.3131553697484751,0.22470187101637995,0.10774621341923103,0.13003735179220066,0.19391020149407168
EOS-2-16200,Cn1nc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,PDLQQPRONCYHBA-UHFFFAOYSA-N,2,1,0.446,81,117,462.477,3.018,6,0.367,0.65,1.0,0.4263672812007402,0.31687341511890893,0.07000034267699266,0.08547220889589473,0.22467831197313412
EOS-2-16201,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccnn5)c4)n23)cc1,TTXDOXUQBOAYPL-UHFFFAOYSA-N,2,1,0.472,71,49,462.477,3.018,6,0.367,0.54,1.0,0.5992392570762799,0.26012610513330137,0.26057158522376805,0.21756562264409568,0.33437564251936125
EOS-2-16202,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccnnc4-c4ccccn4)n23)cc1,DQHYIHGXQCWIJW-UHFFFAOYSA-N,2,1,0.467,67,755,462.477,3.018,6,0.367,0.63,1.0,0.6050818998012474,0.34598382564594615,0.18322082105407442,0.16974504831745596,0.32600789870468094
EOS-2-16203,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccccn4)n23)nc1,WWDDGXUEIIZIHP-UHFFFAOYSA-N,2,1,0.462,6,297,462.477,3.018,6,0.367,0.62,1.0,0.39520937564251934,0.17390857377835653,0.13307861010211774,0.1169642245219656,0.20479019601123982
EOS-2-16204,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cccnc6)cn5)n34)nc2)n[nH]1,GOQQKJDROFYKRU-UHFFFAOYSA-N,2,1,0.378,80,518,462.477,3.316,6,0.396,0.69,1.0,0.3678723185525324,0.31175896100335826,0.23537625933794806,0.18904632992940854,0.2760134672058118
EOS-2-16205,Cn1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)n1,VSYYIIFPJHXILF-UHFFFAOYSA-N,2,1,0.5,40,285,462.477,3.018,6,0.367,0.75,1.0,0.46576656843259545,0.3310174079912275,0.1330871770269344,0.15913062846960455,0.2722504454800905
EOS-2-16206,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ncccn6)n5)n34)cc2)n1,VVUUXCOIDWSMRF-UHFFFAOYSA-N,2,1,0.478,40,8,462.477,3.018,6,0.367,0.56,1.0,0.41462202727708863,0.2916181207593722,0.1514803646083202,0.11697279144678226,0.24367332602289085
EOS-2-16207,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccnnc6)n5)n34)cc2)cn1,GHHYOUWHOFLQLE-UHFFFAOYSA-N,2,1,0.426,56,350,462.477,3.018,6,0.367,0.61,1.0,0.35872284284833117,0.2345367007059146,0.3638458638886985,0.2883712562538551,0.3113691659241999
EOS-2-16208,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)ccn2)c1,IFAAOQRMRNDVLD-UHFFFAOYSA-N,2,1,0.458,80,597,462.477,3.018,6,0.367,0.62,1.0,0.38856144198478515,0.28079809471592077,0.2754609005551367,0.20881879240627785,0.28840980741553013
EOS-2-16209,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1,FVSZKPRPUGBJNF-UHFFFAOYSA-N,2,1,0.562,56,190,462.477,3.018,6,0.367,0.72,1.0,0.5542629017887739,0.2759149475704201,0.32285312864094307,0.30709855390309093,0.365032382975807
EOS-2-16210,Cn1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)n1,FQWSTYUPJGYDTQ-UHFFFAOYSA-N,2,1,0.5,40,755,462.477,3.018,6,0.367,0.68,1.0,0.3993557672537866,0.2808066616407374,0.13309574395175108,0.16697793160167226,0.24505902611198685
EOS-2-16211,Cc1ccnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,MNTVHTVZGITCAE-UHFFFAOYSA-N,2,1,0.406,56,425,462.477,3.316,6,0.396,0.57,1.0,0.47052977863066275,0.33589198821191146,0.2567336029059009,0.20599170721677745,0.3172867692413131
EOS-2-16212,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,ABOBDTMNIUDFFI-UHFFFAOYSA-N,2,1,0.451,40,529,462.477,3.018,6,0.367,0.72,1.0,0.3587314097731478,0.18662189020629155,0.2244277294222466,0.23224076485504763,0.25050544856418344
EOS-2-16213,CCn1nccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)c1=O,CQIHLDGHPZFNPO-UHFFFAOYSA-N,2,1,0.269,98,150,462.477,2.678,6,0.383,0.63,1.0,0.023524775546569805,0.057098553903090946,0.11312624220409842,0.1413114248509355,0.08376524912617367
EOS-2-16214,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncccn5)n4)n23)cc1,DXFGXJMWMOKXTR-UHFFFAOYSA-N,2,1,0.5,56,8,462.477,3.018,6,0.367,0.57,1.0,0.4782571448152971,0.28626379274895486,0.1302429579878007,0.1011582482352135,0.24898053594681652
EOS-2-16215,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,GQTNXEMHFMXXQY-UHFFFAOYSA-N,2,1,0.478,56,415,462.477,3.018,6,0.367,0.75,1.0,0.4377098896580084,0.22471043794119663,0.22443629634706325,0.19176204509629224,0.26965466726064014
EOS-2-16216,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nncn6C)cn5)n34)cn2)cc1,FRSJHZJISMWLQY-UHFFFAOYSA-N,2,1,0.375,8,899,462.477,3.114,6,0.38,0.72,1.0,0.15785415667192104,0.07593722157494345,0.18979165238845863,0.1642793502844219,0.14696559522993624
EOS-2-16217,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)n1,JJUQWDWTIHPMEQ-UHFFFAOYSA-N,2,1,0.517,40,609,462.477,3.018,6,0.367,0.7,1.0,0.305265231992324,0.25526009183743403,0.16712356932355563,0.18352923034747448,0.22779453087519705
EOS-2-16218,Cn1cncc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nn1,UFECLIVRVPPNMG-UHFFFAOYSA-N,2,1,0.389,6,301,462.477,3.018,6,0.367,0.61,1.0,0.3228616955657597,0.16547015283393873,0.14231375505448565,0.1618549105613049,0.19812512850387226
EOS-2-16219,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cc1,KUGAZZKSPAIBAD-UHFFFAOYSA-N,2,1,0.484,40,609,462.477,3.018,6,0.367,0.59,1.0,0.31316393667329173,0.1866304571311082,0.18651908710849155,0.15130045918717017,0.2094034850250154
EOS-2-16220,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)cc1,ALRDJEMIXWJNQA-UHFFFAOYSA-N,2,1,0.529,56,868,462.477,3.018,6,0.367,0.68,1.0,0.3841323418545679,0.19994345829621,0.30800664793365773,0.24394318415461586,0.28400640805976285
EOS-2-16221,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncccn5)n4)n23)cc1,NIPNNJMWULJJQT-UHFFFAOYSA-N,2,1,0.478,56,8,462.477,3.018,6,0.367,0.59,1.0,0.48051024604208076,0.25006853539853335,0.17682989514084024,0.13896408745116853,0.26159319100815576
EOS-2-16222,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1,AKVQFVFKAGQOTH-UHFFFAOYSA-N,2,1,0.494,40,2,462.477,3.018,6,0.367,0.79,1.0,0.4782657117401138,0.2862723596737715,0.24611918305804947,0.23821191145226508,0.31221729148105
EOS-2-16223,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccncc6)cn5)n34)cc2)n1,MZFZYGLBZCKQTE-UHFFFAOYSA-N,2,1,0.566,40,25,462.477,3.018,6,0.367,0.66,1.0,0.3817336029059009,0.2247190048660133,0.25346960455075046,0.2203755739839627,0.27007444657665686
EOS-2-16224,COc1ncc(-c2nnn(C)n2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,LYGPNQZXJDFUMP-UHFFFAOYSA-N,2,1,0.317,30,945,462.477,3.114,6,0.38,0.75,1.0,0.16049276951545474,0.10523610444794737,0.1362055376602015,0.1280069906106504,0.1324853505585635
EOS-2-16225,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5ccncc5)n34)cc2)n1,BTRONXRPCFXWTH-UHFFFAOYSA-N,2,1,0.483,40,415,462.477,3.018,6,0.367,0.68,1.0,0.4732283599479131,0.2297477897333973,0.21075491741484476,0.18905489685422522,0.2756964909875951
EOS-2-16226,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cc2)n1,IBEITKBIZQZAHI-UHFFFAOYSA-N,2,1,0.427,71,117,462.477,3.018,6,0.367,0.57,1.0,0.4193081351518059,0.24527962442601603,0.23911143855801523,0.19438352409019258,0.27452068055650747
EOS-2-16227,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5ncccn5)n34)cn2)n1,LRAFDJDWYWKUBO-UHFFFAOYSA-N,2,1,0.411,6,34,462.477,3.018,6,0.367,0.64,1.0,0.4309077513535741,0.25007710232335,0.15148893153313686,0.11463402097183195,0.23677695154547324
EOS-2-16228,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nc2)cn1,VGZMZRSTBHKVLN-UHFFFAOYSA-N,2,1,0.444,6,855,462.477,3.018,6,0.367,0.7,1.0,0.29198649852648895,0.1654787197587554,0.22113803029264614,0.16975361524227264,0.21208921595504077
EOS-2-16229,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)cc2)n1,OKXARSJYBGEKTC-UHFFFAOYSA-N,2,1,0.5,56,868,462.477,3.018,6,0.367,0.61,1.0,0.37950620245356725,0.30151291892262355,0.24612774998286616,0.18609074086765814,0.2783094030566788
EOS-2-16230,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nccnc5-c5ccncc5)n34)cc2)n[nH]1,XUSWKLDUCYTLMB-UHFFFAOYSA-N,2,1,0.452,40,425,462.477,3.316,6,0.396,0.62,1.0,0.4035364265643205,0.3263227331916935,0.17994825577410734,0.1463402097183195,0.2640369063121102
EOS-2-16231,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)cc1,XUJJOWJQCPLNBO-UHFFFAOYSA-N,2,1,0.535,77,755,462.477,3.018,6,0.367,0.71,1.0,0.4805188129668974,0.29162668768418887,0.2534781714755671,0.25274998286615036,0.31959341374820094
EOS-2-16232,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)nn2)cn1,DJIXVMTXNAMGCZ-UHFFFAOYSA-N,2,1,0.418,6,280,462.477,3.018,6,0.367,0.63,1.0,0.26499211842916864,0.14608320197381947,0.25674216983071757,0.21503837982317867,0.2207139675142211
EOS-2-16233,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1,HQZCXAUIFUJZKM-UHFFFAOYSA-N,2,1,0.495,81,609,462.477,3.018,6,0.367,0.61,1.0,0.43507127681447466,0.2193732437804126,0.19659379069289287,0.1697621821670893,0.25520012336371733
EOS-2-16234,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnc6)n5)n34)cn2)cn1,OYMTZRIAKKJOKW-UHFFFAOYSA-N,2,1,0.411,80,350,462.477,3.018,6,0.367,0.61,1.0,0.3052737989171407,0.22472757179082997,0.27119457199643615,0.21203995613734494,0.25330897471043795
EOS-2-16235,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)cn1,NVVZOLHDENSFJQ-UHFFFAOYSA-N,2,1,0.461,80,355,462.477,3.018,6,0.367,0.6,1.0,0.3656620519498321,0.25008566924816666,0.3080152148584744,0.2351535192927147,0.28972911383729694
EOS-2-16236,Cn1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)n1,QHGBXACUKFIZIX-UHFFFAOYSA-N,2,1,0.418,56,147,462.477,3.018,6,0.367,0.54,1.0,0.45412411760674387,0.30664450688780753,0.19660235761770956,0.15644061407717086,0.2784528990473579
EOS-2-16237,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc1,PMPFDZGKETZRIN-UHFFFAOYSA-N,2,1,0.468,40,868,462.477,3.018,6,0.367,0.66,1.0,0.2948649852648893,0.1953344527448427,0.29728085806318966,0.24395175107943254,0.25785801178808854
EOS-2-16238,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)cn1,KHVZGCYMIJPSEZ-UHFFFAOYSA-N,2,1,0.289,70,968,462.477,3.114,6,0.38,0.63,0.998,0.2080049345486944,0.11182406963196491,0.17023336303200604,0.12588239325611678,0.15398619011719553
EOS-2-16239,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)cc1,LZPVSKNQGPGCNZ-UHFFFAOYSA-N,2,1,0.432,71,350,462.477,3.018,6,0.367,0.63,1.0,0.4469878692344596,0.19995202522102665,0.2677506682201357,0.22614111438558016,0.28520791926530054
EOS-2-16240,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)nn1,PTBNFLRMGMRXTO-UHFFFAOYSA-N,2,1,0.448,67,755,462.477,3.018,6,0.367,0.62,1.0,0.3517322321979302,0.3015214858474402,0.13937529984236857,0.18084778287985745,0.2433692001918991
EOS-2-16241,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nncn6C)nc5)n34)cc2)nn1,NKUBXWZRYCXZET-UHFFFAOYSA-N,2,1,0.411,67,622,462.477,3.54,6,0.378,0.67,1.0,0.36788088547734904,0.22975635665821398,0.21076348433966144,0.17249503118360635,0.2452239394147077
EOS-2-16242,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(OCc3ncc(-c4cncnc4)cn3)n12,DMPRSBCVKBMOAP-UHFFFAOYSA-N,2,1,0.362,94,621,462.477,3.018,6,0.367,0.57,0.996,0.2214721403604962,0.12477725995476664,0.13938386676718525,0.1389726543759852,0.15615148036460832
EOS-2-16243,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(CO)nn5)cc4)n23)c1,GSEZMQVEVDXKQM-UHFFFAOYSA-N,2,1,0.312,25,791,462.477,2.598,6,0.41,0.72,1.0,0.14659721746281953,0.10524467137276403,0.2140446165444452,0.23516208621753135,0.17526214789939001
EOS-2-16244,c1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(-n6cnnc6)n5)n34)nc2)c1,YUCSPUDTFAOGOE-UHFFFAOYSA-N,2,1,0.427,6,529,462.477,2.845,6,0.352,0.6,0.81,0.37242135563018297,0.1866390240559249,0.2107720512644781,0.1970135700089096,0.2417115002398739
EOS-2-16245,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cn1,NPBNDRDHQAKNQN-UHFFFAOYSA-N,2,1,0.446,56,350,462.477,3.018,6,0.367,0.73,1.0,0.37016825440339934,0.2452881913508327,0.2461363169076828,0.1860993077924748,0.26192301761359743
EOS-2-16246,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cn1,OPGGRYGJYGAAQD-UHFFFAOYSA-N,2,1,0.435,80,355,462.477,3.018,6,0.367,0.62,1.0,0.3450243300664793,0.24529675827564937,0.2789733397299705,0.21504694674799535,0.27108534370502363
EOS-2-16247,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnccn6)cn5)n34)cc2)n[nH]1,MDXLQEIADFAYAQ-UHFFFAOYSA-N,2,1,0.446,80,355,462.477,3.316,6,0.396,0.56,1.0,0.4953138921252827,0.3935816599273525,0.2754694674799534,0.21757418956891234,0.3454848022753752
EOS-2-16248,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nc4)n23)cc1,ZQEWLNKCJQSAAZ-UHFFFAOYSA-N,2,1,0.542,56,2,462.477,3.018,6,0.367,0.64,1.0,0.5004968816393668,0.16935953670070591,0.26058015214858476,0.19702213693372628,0.2818646768555959
EOS-2-16249,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1,CQLDBJOTCIUMSJ-UHFFFAOYSA-N,2,1,0.4,6,301,462.477,3.018,6,0.367,0.66,1.0,0.3587399766979645,0.16936810362552257,0.0973459666917963,0.11698135837159893,0.18560885134672056
EOS-2-16250,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnnc5)cn4)n23)cc1,XRFZEHULAWJYCM-UHFFFAOYSA-N,2,1,0.529,67,415,462.477,3.018,6,0.367,0.67,1.0,0.4193167020766226,0.20947844561716125,0.3193235556164759,0.26482934685765197,0.30323701254197793
EOS-2-16251,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)nc2)cn1,VEHCIOFPBODNNY-UHFFFAOYSA-N,2,1,0.426,80,280,462.477,3.018,6,0.367,0.69,1.0,0.2567336029059009,0.1387841820300185,0.37914639161126723,0.282571448152971,0.26430890617503944
EOS-2-16252,COc1ccc(-c2nncn2C)cc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,MERJGEFSUJKHHY-UHFFFAOYSA-N,2,1,0.333,70,596,462.477,3.114,6,0.38,0.69,1.0,0.10371975875539716,0.012696182578301693,0.2567507367555342,0.19996915907065999,0.14328395928997328
EOS-2-16253,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,HRXPCZUJMLWWAM-UHFFFAOYSA-N,2,1,0.426,80,350,462.477,3.018,6,0.367,0.69,1.0,0.42161263792748954,0.2500942361729833,0.33738263313001166,0.2706805565074361,0.31994251593448014
EOS-2-16254,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccncc5)n4)n23)nc1,RHHKDNYARCOLBD-UHFFFAOYSA-N,2,1,0.396,80,350,462.477,3.018,6,0.367,0.63,1.0,0.1884980467411418,0.12831539990405044,0.2461448838324995,0.1917706120211089,0.18868223562470016
EOS-2-16255,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cn5)n34)cc2)n1,ISXBXBSAHWVARI-UHFFFAOYSA-N,2,1,0.593,40,25,462.477,3.018,6,0.367,0.7,1.0,0.41932526900143924,0.25010280309780003,0.24264101158248236,0.215055513672812,0.2817811493386334
EOS-2-16256,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2)nn1,DHLBFOINVAMGIH-UHFFFAOYSA-N,2,1,0.452,81,117,462.477,3.111,6,0.367,0.7,0.999,0.2809351655129875,0.24530532520046605,0.19318415461585908,0.15644918100198751,0.218968456582825
EOS-2-16257,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)c2)nn1,PMUYTNFEUCPFLW-UHFFFAOYSA-N,2,1,0.439,6,868,462.477,3.018,6,0.367,0.64,1.0,0.21892776368994585,0.17391714070317318,0.2712031389212528,0.2261496813103968,0.22254943115619216
EOS-2-16258,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nccnn5)c4)n23)cc1,GHUIQMOPFQOLRL-UHFFFAOYSA-N,2,1,0.524,67,755,462.477,3.018,6,0.367,0.61,1.0,0.5651343293811254,0.2759235144952368,0.26775923514495237,0.2322493317798643,0.33526660270029474
EOS-2-16259,COc1ncc(-c2cn(C)nn2)cc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,MSZIISNXOGLQNV-UHFFFAOYSA-N,2,1,0.311,42,608,462.477,3.114,6,0.38,0.72,1.0,0.10104687821259681,0.07950962922349393,0.2173428825988623,0.15368206428620382,0.13789536358028923
EOS-2-16260,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)cn1,XXFULBQELIEAAJ-UHFFFAOYSA-N,2,1,0.4,6,297,462.477,3.018,6,0.367,0.66,1.0,0.3587485436227812,0.260134672058118,0.1832293879788911,0.13898122130080187,0.23527345624014806
EOS-2-16261,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)cn5)n34)cc2)n[nH]1,FUEDMOPAUXZHNB-UHFFFAOYSA-N,2,1,0.523,40,425,462.477,3.316,6,0.396,0.68,1.0,0.49040504420533204,0.39846480707285314,0.2001833321910767,0.14634877664313617,0.3088504900280995
EOS-2-16262,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cc5)n34)c2)cn1,APWWIXVDHXCHID-UHFFFAOYSA-N,2,1,0.371,6,160,462.477,3.111,6,0.367,0.73,1.0,0.24912617366869988,0.07594578849976012,0.3411178123500788,0.25870399561373447,0.2312234425330683
EOS-2-16263,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cn2)n1,HQXDLLDCLJHXQQ-UHFFFAOYSA-N,2,1,0.439,6,843,462.477,3.018,6,0.367,0.57,1.0,0.3355150435199781,0.23454526763073127,0.15437598519635393,0.11228668357206498,0.20918074497978204
EOS-2-16264,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5ccccn5)n4)n23)cc1,MNFCWXKTCOXFMC-UHFFFAOYSA-N,2,1,0.436,67,428,462.477,3.018,6,0.367,0.69,1.0,0.5234990747721198,0.26545473236926875,0.1393924336920019,0.12382633130011651,0.2630431430333767
EOS-2-16265,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)cn1,PIBVPTVYXNCSPE-UHFFFAOYSA-N,2,1,0.422,6,855,462.477,3.018,6,0.367,0.72,1.0,0.3609502433006648,0.2601432389829347,0.22816290864231376,0.16977074909190598,0.2547567850044548
EOS-2-16266,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)ccn1,YSTUHDSWYSIGTR-UHFFFAOYSA-N,2,1,0.473,6,597,462.477,3.018,6,0.367,0.57,1.0,0.2729079569597697,0.135057569734768,0.2281714755671304,0.17788362689329038,0.20350515728873964
EOS-2-16267,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)cn5)n34)cn2)n1,YZIZMBJPMNUTEI-UHFFFAOYSA-N,2,1,0.462,80,277,462.477,3.018,6,0.367,0.57,1.0,0.3795147693783839,0.2453138921252827,0.2639983551504352,0.19177917894592558,0.27015154890000687
EOS-2-16268,COc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nncn6C)c5)n34)cc2)cn1,MWMSRWSSNOMNLH-UHFFFAOYSA-N,2,1,0.31,42,725,462.477,3.114,6,0.38,0.7,1.0,0.22148070728531286,0.09579535329997944,0.24980296072921665,0.19178774587074224,0.1897166917963128
EOS-2-16269,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)nn1,KZDRHOMSAAFNBC-UHFFFAOYSA-N,2,1,0.432,40,518,462.477,3.018,6,0.367,0.71,1.0,0.3609588102254815,0.27593208142005343,0.1966109245425262,0.17510794325269002,0.2521524398601878
EOS-2-16270,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,JJUFNSYBIHYPMO-UHFFFAOYSA-N,2,1,0.457,81,415,462.477,3.018,6,0.367,0.65,1.0,0.3929305736412857,0.2706976903570694,0.1768384620656569,0.14370159687478581,0.24604208073469944
EOS-2-16271,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)nn1,WEYAWIYLYQYCDP-UHFFFAOYSA-N,2,1,0.506,40,355,462.477,3.018,6,0.367,0.65,1.0,0.30003084092934,0.20948701254197793,0.2972894249880063,0.23822047837708177,0.26125693920910154
EOS-2-16272,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,ZFGACTLMLYECNY-UHFFFAOYSA-N,2,1,0.548,40,755,462.477,3.018,6,0.367,0.64,1.0,0.4705383455554794,0.26015180590775133,0.2567593036803509,0.24964018915769995,0.3092724110753204
EOS-2-16273,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnc5)n4)n23)cc1,YGTIWWCEEWYZQR-UHFFFAOYSA-N,2,1,0.424,56,428,462.477,3.018,6,0.367,0.72,1.0,0.48804057295593173,0.2654632992940854,0.179956822698924,0.1536906312110205,0.2717878315399904
EOS-2-16274,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5cnccn5)n34)cc2)nn1,WCTDXZWWTFEQBT-UHFFFAOYSA-N,2,1,0.456,40,2,462.477,3.018,6,0.367,0.56,1.0,0.44699643615927626,0.24019087108491535,0.23912000548283188,0.19703070385854293,0.2808345041463916
EOS-2-16275,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)cn1,SVLPMNCAJHKHKI-UHFFFAOYSA-N,2,1,0.442,67,622,462.477,3.54,6,0.378,0.73,1.0,0.3517407991227469,0.1953430196696594,0.23538482626276472,0.17789219381810706,0.2400902097183195
EOS-2-16276,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1,YNLBIXQLHURMGA-UHFFFAOYSA-N,2,1,0.447,56,621,462.477,3.018,6,0.367,0.62,1.0,0.565142896305942,0.30153005277225686,0.267767802069769,0.20600027414159414,0.3351102563223905
EOS-2-16277,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccncc6)n5)n34)cn2)cn1,AKLLQIRMGGFXIK-UHFFFAOYSA-N,2,1,0.4,80,350,462.477,3.018,6,0.367,0.63,1.0,0.2518675896100336,0.2094955794667946,0.28640943047083817,0.2203841409087794,0.24203918511411143
EOS-2-16278,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)nn1,YNIZTMADLPBHDF-UHFFFAOYSA-N,2,1,0.478,28,297,462.477,3.018,6,0.367,0.62,1.0,0.26500068535398535,0.1907340141182921,0.16080117880885478,0.13660818312658488,0.18828601535192926
EOS-2-16279,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cc2)n1,QLESIYILDWAKRB-UHFFFAOYSA-N,2,1,0.417,56,350,462.477,3.018,6,0.367,0.6,1.0,0.3724299225549997,0.26016037283256804,0.30458844493180726,0.23822904530189842,0.29385194640531836
EOS-2-16280,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)nc5)n34)cc2)n1,VYIQDLUYWXGMIS-UHFFFAOYSA-N,2,1,0.536,81,2,462.477,3.018,6,0.367,0.7,1.0,0.5492683846206565,0.2552686587622507,0.1966194914673429,0.16698649852648892,0.2920357583441847
EOS-2-16281,Cn1c(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nnc1-c1cccnn1,ZDFDBJUHVRTHGO-UHFFFAOYSA-N,2,1,0.432,81,117,462.477,3.018,6,0.367,0.65,1.0,0.4309163182783908,0.27594064834487014,0.07215920773079296,0.09701185662394626,0.21900700774450005
EOS-2-16282,Cc1cncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)c2)n1,XCWBCBDTEOZSKD-UHFFFAOYSA-N,2,1,0.408,80,34,462.477,3.111,6,0.367,0.65,1.0,0.23554759783428142,0.06504866013295868,0.22114659721746283,0.16428791720923858,0.1715076930984854
EOS-2-16283,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,QSHNMELOSKVCRN-UHFFFAOYSA-N,2,1,0.421,56,350,462.477,3.018,6,0.367,0.65,1.0,0.35875711054759785,0.18664759098074155,0.31560551024604205,0.24964875608251663,0.2776647419642245
EOS-2-16284,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,GNXPKXPEHDDKTH-UHFFFAOYSA-N,2,1,0.512,25,285,462.477,3.018,6,0.367,0.73,1.0,0.4607977520389281,0.33102597491604413,0.13310431087656774,0.172503598108423,0.27435790898499074
EOS-2-16285,COc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cnn(C)n6)c5)n34)cc2)cn1,LGJVANQZZNBQCF-UHFFFAOYSA-N,2,1,0.317,42,725,462.477,3.114,6,0.38,0.63,1.0,0.24344630251524912,0.11776951545473237,0.29729799191282297,0.2088273593310945,0.21683529230347476
EOS-2-16286,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(-n6nccn6)nc5)n34)c2)cn1,NBEKUANGCOUPBV-UHFFFAOYSA-N,2,1,0.495,6,518,462.477,3.111,6,0.367,0.6,1.0,0.3678894524021657,0.18226132547460763,0.2640069220752519,0.19703927078335962,0.25279924268384624
EOS-2-16287,Cc1ncc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cn4)n23)c(-c2ccccn2)n1,QMYDVCJXMYNKGX-UHFFFAOYSA-N,2,1,0.356,80,318,462.477,3.54,6,0.378,0.71,1.0,0.38414090877938456,0.22976492358303063,0.12720169967788364,0.09119491467342883,0.20807561167843192
EOS-2-16288,Cn1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)n1,QYLGAIWKRPIFCR-UHFFFAOYSA-N,2,1,0.528,81,117,462.477,3.018,6,0.367,0.64,1.0,0.39725687067370297,0.2916352546090056,0.23539339318758137,0.1917963127955589,0.2790204578164622
EOS-2-16289,c1nc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cnn(C7COC7)c6)c5)n34)cc2)n[nH]1,NCLZGQDPPBOJOH-UHFFFAOYSA-N,2,1,0.272,42,7,462.477,3.073,7,0.414,0.67,1.0,0.0864402714001782,0.10861147282571448,0.2864179973956549,0.3006305256665068,0.1955250668220136
EOS-2-16290,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnccn5)n4)n23)cc1,BEPFUBQGNAEYHK-UHFFFAOYSA-N,2,1,0.435,80,277,462.477,3.018,6,0.367,0.61,1.0,0.4444948941128093,0.19996059214584333,0.2828455897471044,0.2294308135151806,0.28918297238023444
EOS-2-16291,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)n1,FIRSCCGGSAWCSQ-UHFFFAOYSA-N,2,1,0.537,56,190,462.477,3.018,6,0.367,0.67,1.0,0.5906380645603454,0.28628092659858817,0.3228616955657597,0.2883798231786718,0.37204012747584125
EOS-2-16292,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cc1,XGYMXYGSMVUYRK-UHFFFAOYSA-N,2,1,0.506,67,609,462.477,3.018,6,0.367,0.71,1.0,0.4287317524501405,0.22977349050784732,0.15438455212117058,0.12801555753546706,0.2352263381536564
EOS-2-16293,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,DXAMRYYGGZQSPE-UHFFFAOYSA-N,2,1,0.467,6,843,462.477,3.018,6,0.367,0.61,1.0,0.3972654375985196,0.23455383455554793,0.16080974573367143,0.14635734356795285,0.23474659036392295
EOS-2-16294,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cnn1,OTWRAMWGEWPUHJ-UHFFFAOYSA-N,2,1,0.467,40,2,462.477,3.018,6,0.367,0.65,1.0,0.5029384552121171,0.2345624014803646,0.22444486327187993,0.22319409224864642,0.29628495305325203
EOS-2-16295,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cn2)cn1,RVTGQKUVZOWHLW-UHFFFAOYSA-N,2,1,0.439,6,34,462.477,3.018,6,0.367,0.65,1.0,0.29748646425878966,0.22978205743266397,0.19662805839215955,0.14131999177575216,0.21630414296484135
EOS-2-16296,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,HTZHQKZVKVDVHL-UHFFFAOYSA-N,2,1,0.423,40,59,462.477,3.018,6,0.367,0.75,1.0,0.49783256802138304,0.2601689397573847,0.1190117195531492,0.12383489822493318,0.2502120313892125
EOS-2-16297,c1cncc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)c1,DXGRHIHKELIOLX-UHFFFAOYSA-N,2,1,0.489,40,425,462.477,3.05,6,0.38,0.65,1.0,0.6662240422178055,0.5153690631211021,0.21078061818929478,0.19439209101500926,0.39669145363580294
EOS-2-16298,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)nc5)n34)c2)cn1,HUYPJEPYLUURKL-UHFFFAOYSA-N,2,1,0.463,6,160,462.477,3.111,6,0.367,0.71,1.0,0.2107720512644781,0.08941299431156192,0.2935114111438558,0.2261582482352135,0.20496367623877734
EOS-2-16299,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,VCXDOALIXKZKFS-UHFFFAOYSA-N,2,1,0.5,28,297,462.477,3.018,6,0.367,0.75,1.0,0.44450346103762595,0.28081522856555413,0.1865276540333082,0.18610787471729148,0.2744885545884449
EOS-2-16300,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cn1,YVXLBZUUBJCLDS-UHFFFAOYSA-N,2,1,0.434,6,34,462.477,3.018,6,0.367,0.67,1.0,0.3929391405661024,0.21434445891302858,0.17684702899047358,0.13004591871701734,0.22854413679665547
EOS-2-16301,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)cn5)n34)cn2)n[nH]1,PKCVXWJEVBRVFU-UHFFFAOYSA-N,2,1,0.44,6,843,462.477,3.316,6,0.396,0.63,0.999,0.44000582550887535,0.3890411897745185,0.2712117058460695,0.2150640805976287,0.32883070043177304
EOS-2-16302,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nc2)cn1,NLAUNFYVVBMVHN-UHFFFAOYSA-N,2,1,0.447,56,621,462.477,3.018,6,0.367,0.65,1.0,0.4632050579124118,0.2966469056267562,0.3563069700500308,0.27660030155575355,0.34818980878623806
EOS-2-16303,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnccn6)n5)n34)cc2)cn1,FEIWUMBOYPNVBH-UHFFFAOYSA-N,2,1,0.435,80,277,462.477,3.018,6,0.367,0.6,1.0,0.3772359673771503,0.22979062435748063,0.3007247618394901,0.24093619354396545,0.28717188677952166
EOS-2-16304,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4cncnc4-c4ccccc4)n23)ccn1,XVJQPQQKPKNNBE-UHFFFAOYSA-N,2,1,0.421,6,342,462.477,3.018,6,0.367,0.68,1.0,0.4193338359262559,0.18226989239942432,0.157571448152971,0.16429648413405523,0.23086791515317662
EOS-2-16305,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cc2)n1,ZBTOXOJKQTVQDN-UHFFFAOYSA-N,2,1,0.517,77,755,462.477,3.018,6,0.367,0.71,1.0,0.5413182783907888,0.3015386196970735,0.2567678706051676,0.23517065314234803,0.33369885545884453
EOS-2-16306,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cc2)n1,BERQPRWITDXWOA-UHFFFAOYSA-N,2,1,0.5,40,609,462.477,3.018,6,0.367,0.59,1.0,0.3972740045233363,0.2808237954903708,0.15149749845795354,0.11229525049688165,0.23547263724213555
EOS-2-16307,Cn1nc(-c2cnccn2)nc1COc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,PRUOEMFYSSETAT-UHFFFAOYSA-N,2,1,0.398,6,363,462.477,3.018,6,0.367,0.63,0.999,0.37243848947981634,0.28083236241518744,0.0637379206360085,0.08030635323144404,0.19932878144061408
EOS-2-16308,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)cn1,FULSAGPEGRBMGT-UHFFFAOYSA-N,2,1,0.447,56,197,462.477,3.018,6,0.367,0.73,1.0,0.4657751353574121,0.2966554725515729,0.25348673840038377,0.1808563498046741,0.2991934240285107
EOS-2-16309,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)cn1,WPBGWIVALZWSDN-UHFFFAOYSA-N,2,1,0.462,6,297,462.477,3.018,6,0.367,0.65,1.0,0.3306661640737441,0.2297991912822973,0.23183811938866425,0.17251216503323966,0.24120390994448634
EOS-2-16310,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccccn6)n5)n34)cn2)cn1,ISNRDGKWXRRXQC-UHFFFAOYSA-N,2,1,0.484,6,843,462.477,3.018,6,0.367,0.67,1.0,0.28094373243780413,0.23457096840518127,0.18323795490370776,0.13661675005140156,0.20884235144952368
EOS-2-16311,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nc2)cn1,DOFXNHZIGAAODA-UHFFFAOYSA-N,2,1,0.402,80,855,462.477,3.018,6,0.367,0.67,1.0,0.37724453430196697,0.26547186621890206,0.2754780344047701,0.2088359262559112,0.28175759029538755
EOS-2-16312,CCn1cnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)n1,CINVABWBZDWXQP-UHFFFAOYSA-N,2,1,0.376,6,297,462.477,3.714,6,0.364,0.62,1.0,0.3540624357480639,0.2501113700226167,0.10521897059831403,0.09702042354876293,0.2016032999794394
EOS-2-16313,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nc4)n23)cc1,NMOFKFCGLPUVTD-UHFFFAOYSA-N,2,1,0.529,56,415,462.477,3.018,6,0.367,0.64,1.0,0.5205777534096361,0.22473613871564663,0.31933212254129256,0.252758549790967,0.32935114111438557
EOS-2-16314,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nc5)n34)cn2)cn1,WTKPNKAPEDKQEW-UHFFFAOYSA-N,2,1,0.488,80,843,462.477,3.018,6,0.367,0.64,1.0,0.4057124254677541,0.21435302583784524,0.3791549585360839,0.2735076416969365,0.3181820128846549
EOS-2-16315,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(OCc3nccc(-c4cccnn4)n3)n12,YRDBQYHCQQBDNL-UHFFFAOYSA-N,2,1,0.353,81,218,462.477,3.018,6,0.367,0.61,0.588,0.22991912822973065,0.11183263655678158,0.07860153519292715,0.08735693235556165,0.12692755808375025
EOS-2-16316,COCc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncccn6)nn5)n34)cc2)n1,YXYOHIPRLPMKRK-UHFFFAOYSA-N,2,1,0.297,38,618,462.477,3.037,6,0.367,0.61,1.0,0.05188129668974025,0.057107120827907615,0.16081831265848812,0.1564577479268042,0.10656611952573505
EOS-2-16317,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cncc(C)n4)nc3)n12,JXKVIQPBKUEBIN-UHFFFAOYSA-N,2,1,0.298,42,154,462.477,3.412,6,0.409,0.52,1.0,0.24099616201768212,0.0894215612363786,0.289973271194572,0.2060088410664108,0.2065999588787609
EOS-2-16318,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cn4)n23)cc1,YEMIFPORDWITDV-UHFFFAOYSA-N,2,1,0.612,40,25,462.477,3.018,6,0.367,0.66,1.0,0.3841494757042012,0.24019943800973204,0.23912857240764854,0.22943938043999726,0.2732292166403948
EOS-2-16319,Cn1cnnc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cn1,UTMUPPKXLJRSFI-UHFFFAOYSA-N,2,1,0.467,56,415,462.477,3.018,6,0.367,0.61,1.0,0.40354499348913714,0.2808409293400041,0.20361866904256049,0.20303611815502706,0.2727601775066822
EOS-2-16320,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)n23)cc1,YJNLERHPEDFGED-UHFFFAOYSA-N,2,1,0.545,40,609,462.477,3.018,6,0.367,0.7,1.0,0.36567061887464875,0.25011993694743334,0.18653622095812486,0.1808649167294908,0.24579792337742443
EOS-2-16321,Cn1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)n1,UYZXBKWDQSWCIR-UHFFFAOYSA-N,2,1,0.511,40,355,462.477,3.018,6,0.367,0.62,1.0,0.4123860598999383,0.25012850387225,0.2973065588376396,0.22944794736481391,0.29731726749366044
EOS-2-16322,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c1,RMQWVYCMRBNYSA-UHFFFAOYSA-N,2,1,0.571,40,25,462.477,3.018,6,0.367,0.71,1.0,0.3772531012267836,0.22980775820711397,0.22445343019669659,0.23517922006716468,0.2666733774244397
EOS-2-16323,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)c1,VYYGLPZJWSWJSE-UHFFFAOYSA-N,2,1,0.436,6,868,462.477,3.018,6,0.367,0.65,1.0,0.30256665067507366,0.17392570762798987,0.3975481461174697,0.35134672058118016,0.30634680625042837
EOS-2-16324,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)cnn4)n23)cc1,SECQYDZRJHTOKO-UHFFFAOYSA-N,2,1,0.441,56,868,462.477,3.018,6,0.367,0.65,1.0,0.4079398259200877,0.23457953532999795,0.3937444314988692,0.3193064217668426,0.3388925536289494
EOS-2-16325,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cn2)cn1,BLOFXQZQYBCSPL-UHFFFAOYSA-N,2,1,0.506,6,843,462.477,3.111,6,0.367,0.63,1.0,0.30257521759989037,0.16548728668357207,0.2281800424919471,0.1618634774861216,0.2145265060653828
EOS-2-16326,COc1ncc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,CSSBEIOEWDCSON-UHFFFAOYSA-N,2,1,0.284,25,301,462.477,3.114,6,0.38,0.75,1.0,0.10615276540333082,0.08286786375162772,0.13311287780138442,0.1437101637996025,0.11646091768898637
EOS-2-16327,Cc1cncc(-c2ccnnc2COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,IWWZHCFGAKGCOG-UHFFFAOYSA-N,2,1,0.429,56,425,462.477,3.316,6,0.396,0.62,1.0,0.4541326845315605,0.3359005551367281,0.3080237817832911,0.25596257967240077,0.3385049002809951
EOS-2-16328,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnc5)n4)n23)cc1,MMSFPQRNQYNMNO-UHFFFAOYSA-N,2,1,0.457,56,350,462.477,3.018,6,0.367,0.67,1.0,0.4146305942019053,0.21938181070522925,0.217351449523679,0.19180487972037558,0.26079218353779726
EOS-2-16329,CCOc1cncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)n1,XTDSIPZDQIGRJU-UHFFFAOYSA-N,2,1,0.32,42,7,462.477,3.494,6,0.395,0.64,1.0,0.4423188952093756,0.3117675279281749,0.30803234870810775,0.2439603180042492,0.3265197724624769
EOS-2-16330,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1,USCHFLCPXIUIHE-UHFFFAOYSA-N,2,1,0.455,40,190,462.477,3.018,6,0.367,0.82,1.0,0.38415804262901787,0.18665615790555823,0.23913713933246522,0.24094476046878213,0.26272402508395587
EOS-2-16331,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1,KAAAFLXQZFBPBG-UHFFFAOYSA-N,2,1,0.467,28,826,462.477,3.018,6,0.367,0.82,1.0,0.42386573915427317,0.19996915907065999,0.1966366253169762,0.19440065793982592,0.2537180453704338
EOS-2-16332,COc1ncc(-c2nncn2C)cc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,QPUULHZPUNQDRM-UHFFFAOYSA-N,2,1,0.318,8,608,462.477,3.114,6,0.38,0.7,1.0,0.179931121924474,0.08943012816119526,0.17685559591529024,0.130054485641834,0.14406783291069836
EOS-2-16333,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,QRXKLEWPUFWAHK-UHFFFAOYSA-N,2,1,0.446,56,868,462.477,3.018,6,0.367,0.69,0.996,0.39521794256733606,0.3407494345829621,0.10246898773216366,0.1123038174216983,0.23768504557604
EOS-2-16334,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)cn2)cn1,XVEHCOFJFCUMRH-UHFFFAOYSA-N,2,1,0.436,6,868,462.477,3.018,6,0.367,0.66,1.0,0.30003940785415667,0.21939037763004593,0.3080409156329244,0.2294565142896306,0.2642318038516894
EOS-2-16335,c1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc(-c2cncnc2)c1,AGYMOYYXMBXTIR-UHFFFAOYSA-N,2,1,0.474,40,425,462.477,3.05,6,0.38,0.65,1.0,0.6163474059351655,0.5246127749982866,0.25677643752998425,0.21758275649372902,0.40382984373929126
EOS-2-16336,COc1nc(-c2nnc3cncc(OCc4nnnn4C)n23)ccc1-c1nc(C)nn1C(C)C,XIVXTMABBIVODI-UHFFFAOYSA-N,2,1,0.333,31,105,462.478,1.445,5,0.346,0.58,1.0,0.12190734014118292,0.12478582687958331,0.0020474950311836063,3.4267699266671235e-05,0.06219373243780412
EOS-2-16337,OCc1ccc2c(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc(F)cc2c1,YZNOEVGIZYUNNP-UHFFFAOYSA-N,2,1,0.478,21,47,462.484,6.035,6,0.338,0.74,1.0,0.9710095264203962,0.9486412857240765,0.9571482420670276,0.9557261325474607,0.9581312966897403
EOS-2-16338,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)c1,JBFXLMGTLRYTRJ-UHFFFAOYSA-N,2,1,0.535,77,603,462.488,5.362,6,0.333,0.71,1.0,0.7331402919607978,0.5706514289630594,0.8855201836748681,0.8688575149064491,0.7645423548762936
EOS-2-16339,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6C)cc5F)n34)cc2)o1,CWPHDYQGACBYCB-UHFFFAOYSA-N,2,1,0.323,69,30,462.488,5.931,6,0.323,0.73,1.0,0.39294770749091906,0.4792166403947639,0.8657305873483654,0.8175245014049757,0.638854859159756
EOS-2-16340,Fc1cc(CCOc2cncc3nnc(-c4ccccc4)n23)ccc1-c1cc2ccccc2nn1,XVZJTBAWXUIINO-UHFFFAOYSA-N,2,1,0.64,79,897,462.488,5.162,6,0.34,0.77,1.0,0.942284627510109,0.9358251661983414,0.7743214995545199,0.7912840106915222,0.8609288259886232
EOS-2-16341,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)c1,YBPQWLBVSHGPEW-UHFFFAOYSA-N,2,1,0.602,79,897,462.488,5.162,6,0.34,0.59,1.0,0.9637447741758618,0.9724659036392297,0.7986258652594065,0.8134295113426084,0.8870665136042766
EOS-2-16342,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)ccc1-c1ccccc1,CEPRGHIKPQCFQM-UHFFFAOYSA-N,2,1,0.517,12,933,462.488,5.362,6,0.333,0.72,1.0,0.7452110890274827,0.5382513193064218,0.9018059077513536,0.8861798368857515,0.7678620382427525
EOS-2-16343,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cc2)c1,AXHJQPSCYJMFIR-UHFFFAOYSA-N,2,1,0.573,12,492,462.488,5.362,6,0.333,0.8,1.0,0.5651514632307587,0.5476663696799396,0.8888098828044685,0.8789921869645672,0.7201549756699335
EOS-2-16344,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)ccn1,QOVRUJFIWAEDCI-UHFFFAOYSA-N,2,1,0.524,77,603,462.488,5.362,6,0.312,0.7,1.0,0.7657717085874854,0.6238777328490165,0.9039476389555205,0.8818021383044342,0.7938498046741141
EOS-2-16345,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cc2)cc1,MGIASBGDRCPFMN-UHFFFAOYSA-N,2,1,0.585,12,492,462.488,5.362,6,0.333,0.69,1.0,0.6301572887396341,0.662651634569255,0.8753683777671167,0.8655592488520321,0.7584341374820095
EOS-2-16346,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-n6cccn6)c5)n34)cc2)cc1,YWVSTGHDJNQFCK-UHFFFAOYSA-N,2,1,0.612,12,492,462.488,5.362,6,0.333,0.77,1.0,0.6358799945171681,0.6334726886436844,0.887816119525735,0.8790007538893838,0.7590423891439929
EOS-2-16347,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cc2)c1,BBPLXHFMBFYKMF-UHFFFAOYSA-N,2,1,0.595,12,492,462.488,5.362,6,0.333,0.68,1.0,0.5651600301555754,0.5864145706257282,0.8685748063874992,0.8606932355561647,0.7202106606812418
EOS-2-16348,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccc6ccccc56)cn4)n23)nc1,ZWJGSBAWSVQSES-UHFFFAOYSA-N,2,1,0.434,28,891,462.488,5.162,6,0.34,0.79,1.0,0.7568706737029676,0.7570505791241177,0.7287968610787472,0.7751010897128366,0.7544548009046672
EOS-2-16349,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)n[nH]2)cc1,PUUZMWXHIMWAEC-UHFFFAOYSA-N,2,1,0.473,12,47,462.488,5.567,6,0.35,0.78,0.997,0.6785946816530738,0.5336251799054211,0.8539167980261805,0.8761736686998834,0.7355775820711398
EOS-2-16350,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)cn1,VMYWAIDXDGULSK-UHFFFAOYSA-N,2,1,0.53,77,603,462.488,5.362,6,0.312,0.73,1.0,0.7270406414913303,0.60039579192653,0.9028939072030704,0.8790093208142006,0.7773349153587829
EOS-2-16351,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1,RWMUWFVFQWVOHY-UHFFFAOYSA-N,2,1,0.541,77,603,462.488,5.362,6,0.333,0.69,1.0,0.7858611472825714,0.6004043588513467,0.8713419231032828,0.8505756973476801,0.7770457816462203
EOS-2-16352,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)nc2)n1C,JCNHZSARLKNRBJ-UHFFFAOYSA-N,2,1,0.342,38,787,462.492,4.763,6,0.351,0.57,1.0,0.3052823658419574,0.32186793228702626,0.6068809540127476,0.5656654787197588,0.4499241827153725
EOS-2-16353,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)nc2)cn1C,PTEOLLJWOISJQE-UHFFFAOYSA-N,2,1,0.342,32,572,462.492,4.763,6,0.375,0.72,0.998,0.2410047289424988,0.37482009457884996,0.6126550613391817,0.5876739085737783,0.4540384483585772
EOS-2-16354,Cc1c(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)c(-c2ccccc2)nn1C,GJYQYIZAHHZLJM-UHFFFAOYSA-N,2,1,0.31,30,945,462.492,4.763,6,0.351,0.67,1.0,0.07759063806456035,0.20950414639161127,0.429828318826674,0.4806644506887808,0.2993968884929066
EOS-2-16355,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)cn1,MDTPRRHMKKOFQK-UHFFFAOYSA-N,2,1,0.327,30,522,462.492,4.763,6,0.375,0.74,1.0,0.19959221437872662,0.3168819820437256,0.6363083407580015,0.629463367829484,0.44556147625248443
EOS-2-16356,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(F)cc(-c6cn(C)nn6)c5)n34)cc2)cn1,SCSSJCYZSJDRGL-UHFFFAOYSA-N,2,1,0.313,9,764,462.492,4.763,6,0.375,0.74,1.0,0.09851963539167981,0.21939894455486258,0.7389486669864985,0.7155352614625454,0.4431006270988966
EOS-2-16357,Cc1cn(C)nc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4)n23)cn1,URUOGMUKRNYIKR-UHFFFAOYSA-N,2,1,0.35,32,693,462.492,4.763,6,0.375,0.67,0.99,0.1605013364402714,0.30665307381262424,0.507684531560551,0.5258464121718868,0.37517133849633333
EOS-2-16358,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c(-c2ccc(F)cc2)n1,GQYDXIJSBVHIRC-UHFFFAOYSA-N,2,1,0.357,32,179,462.492,4.938,6,0.361,0.76,1.0,0.10105544513741348,0.2402080049345487,0.49018230416009867,0.5361952573504215,0.3419102528956206
EOS-2-16359,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)c(F)c5)n34)nc2)nn1C,KFVHZNAYNZHORG-UHFFFAOYSA-N,2,1,0.333,32,572,462.492,4.763,6,0.375,0.7,1.0,0.13598279761496812,0.2501370707970667,0.6098022753752314,0.5751833321910766,0.3927763689945857
EOS-2-16360,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cc5)n34)nn2)n(C)n1,HIHCREUCDAPACW-UHFFFAOYSA-N,2,1,0.368,93,641,462.492,4.763,6,0.375,0.75,1.0,0.17682989514084024,0.3310345418408608,0.5812572818860942,0.6210506476595161,0.4275430916318278
EOS-2-16361,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5F)n34)nc2)n1,ORCXRXIQOVETJN-UHFFFAOYSA-N,2,1,0.288,32,179,462.492,4.763,6,0.375,0.71,0.948,0.18850661366595847,0.26017750668220135,0.6157734219724488,0.5751918991158934,0.4099123603591255
EOS-2-16362,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cn(C)nn6)ccc5F)n34)cc2)cn1,GLISPFJDXGNKHU-UHFFFAOYSA-N,2,1,0.31,9,764,462.492,4.763,6,0.375,0.72,1.0,0.1247601261051333,0.2707062572818861,0.7465732300733329,0.7182081420053458,0.46506193886642455
EOS-2-16363,Cc1nn(C)c(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3ccc(-c4ccncc4)nc3)n12,DKELTEYXQCXTCT-UHFFFAOYSA-N,2,1,0.346,32,693,462.492,4.763,6,0.375,0.7,1.0,0.058632033445274484,0.2247447056404633,0.5039664861901172,0.5560105544513742,0.33583844493180726
EOS-2-16364,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)c(-c2ccc(F)cc2)n1,RBRQWTPFVYTROM-UHFFFAOYSA-N,2,1,0.333,32,714,462.492,4.763,6,0.375,0.75,1.0,0.15786272359673773,0.31177609485299157,0.6540333082036872,0.6356572544719348,0.43983234528133786
EOS-2-16365,CCn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccc(F)c5)n34)nc2)cn1,NVIIGERYFNCFNT-UHFFFAOYSA-N,2,1,0.349,32,714,462.492,4.938,6,0.361,0.67,1.0,0.1768384620656569,0.2654804331437187,0.5719878692344595,0.5907580015077788,0.40126619148790355
EOS-2-16366,Cc1nc(-c2ccnc(F)c2)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1C,MRYTXMURADOJAN-UHFFFAOYSA-N,2,1,0.279,30,301,462.492,4.763,6,0.351,0.65,0.43,0.13845007196216846,0.19535158659447605,0.42983688575149065,0.48067301761359743,0.31107789048043316
EOS-2-16367,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c(F)c2)n(C)n1,BVKMUYPMAYHCQX-UHFFFAOYSA-N,2,1,0.346,9,98,462.492,4.763,6,0.375,0.72,1.0,0.22148927421012954,0.2707148242067028,0.5213916112672196,0.5362038242752382,0.38744988348982257
EOS-2-16368,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)nc2)n1C,HQROLJBTJIJFBX-UHFFFAOYSA-N,2,1,0.34,32,572,462.492,4.763,6,0.375,0.65,0.996,0.26233637173600166,0.3555959152902474,0.5583493249263245,0.5560191213761908,0.4330751833321911
EOS-2-16369,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccc6F)cn5)n34)cc2C)[nH]n1,RTEPDFWHPYPSLK-UHFFFAOYSA-N,2,1,0.292,32,572,462.492,5.061,6,0.393,0.64,1.0,0.2596634911932013,0.3459923925707628,0.692541635254609,0.6556010554451374,0.4884496436159276
EOS-2-16370,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)cn5)n34)cc2)ccc1F,SAZOEUNMJPAMEJ-UHFFFAOYSA-N,2,1,0.317,38,787,462.492,4.763,6,0.375,0.63,1.0,0.15249982866150366,0.2654890000685354,0.6677917894592557,0.6089370159687478,0.4236794085395106
EOS-2-16371,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)c(F)c2)cn1,HTTRLPIBYWDIFC-UHFFFAOYSA-N,2,1,0.325,9,867,462.492,4.763,6,0.375,0.69,1.0,0.28926221643478855,0.3263313001165102,0.6763073127270235,0.6237492289767665,0.47891251456377215
EOS-2-16372,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cc5)n34)nc2)n(C)n1,QATMPMGAXDMWMU-UHFFFAOYSA-N,2,1,0.364,93,74,462.492,4.763,6,0.375,0.75,1.0,0.17684702899047358,0.34075800150777874,0.5076930984853677,0.5560276883010075,0.3953314543211569
EOS-2-16373,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccnc6F)nn5C)n34)cc2)n1,SEGRCCQARAXUPV-UHFFFAOYSA-N,2,1,0.31,38,532,462.492,4.763,6,0.351,0.73,1.0,0.07169659379069289,0.22475327256527997,0.5908693715303954,0.5624014803646084,0.36243017956274415
EOS-2-16374,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)n1C,QELAXKUJTMETDS-UHFFFAOYSA-N,2,1,0.305,9,171,462.492,4.763,6,0.375,0.77,1.0,0.10372832568021383,0.22476183949009665,0.5182989514084024,0.5846754848879446,0.35786615036666436
EOS-2-16375,CCc1nc(-c2nnc3cncc(OCCc4ccnc(C)c4)n23)ccc1-c1ccccn1,UMGJKGWCDYQPAR-UHFFFAOYSA-N,2,1,0.484,49,690,437.507,4.136,5,0.378,0.64,0.816,0.46578370228222876,0.29666403947638953,0.22115516414227948,0.16430505105887191,0.2869769892399424
EOS-2-16376,CCCCn1cc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)n4)n23)nn1,TXYWKRUDLNXZGC-UHFFFAOYSA-N,2,1,0.349,31,105,462.493,2.739,5,0.307,0.61,0.855,0.1497241450209033,0.16549585360838873,0.01571174011376876,0.01938695086011925,0.08757967240079502
EOS-2-16377,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(=O)[nH]c6)s5)n34)o2)cc1,LKUIRGCWJWKHBW-UHFFFAOYSA-N,2,1,0.329,32,126,462.494,5.007,6,0.394,0.61,1.0,0.2919950654513056,0.28084949626482075,0.7813892125282709,0.7866664382153382,0.5352250531149338
EOS-2-16378,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(S(C)(=O)=O)cn4)n23)cc1,TXRZAFJRVIQHQE-UHFFFAOYSA-N,2,1,0.554,89,734,462.495,1.964,5,0.372,0.72,1.0,0.3929562744157357,0.2759492152696868,0.1423223219793023,0.107437804125831,0.22966640394763896
EOS-2-16379,Cc1nnc(-c2cnc(F)c(-c3cncc4nnc(-c5scnc5-c5ccsc5)n34)c2)o1,BYWGANCASGCNLX-UHFFFAOYSA-N,2,1,0.333,86,723,462.495,4.536,6,0.352,0.66,0.995,0.21078061818929478,0.32633986704132684,0.16402234253992187,0.2120485230621616,0.22829783770817627
EOS-2-16380,Cc1ccc(-c2cccc(-c3nnc4cncc(COCCOc5ccccc5)n34)c2)cn1,KXLJYDIKKXXPIA-UHFFFAOYSA-N,2,1,0.4,79,18,437.503,4.757,5,0.326,0.76,1.0,0.27807381262422043,0.1314166266876842,0.6626430676444384,0.5939277636899458,0.41651531766157224
EOS-2-16381,COc1ccccc1-c1ccc(-c2nnc3cncc(OCCCc4ccccc4)n23)nc1,YALADCYZCXFKLN-UHFFFAOYSA-N,2,1,0.581,79,198,437.503,4.874,5,0.322,0.78,1.0,0.5388167363443218,0.29667260640120624,0.5384654924268385,0.48394558289356454,0.46447510451648283
EOS-2-16382,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)cs1,AKTXBEGVUHXFOD-UHFFFAOYSA-N,2,1,0.29,38,154,437.492,4.07,6,0.442,0.71,1.0,0.12191590706599958,0.17815776848742376,0.2712202727708862,0.2527671167157837,0.2060152662600233
EOS-2-16383,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nccs6)nc5)n34)c2)nn1,RSROUQBQUQYSLT-UHFFFAOYSA-N,2,1,0.306,32,727,437.492,3.772,6,0.414,0.6,1.0,0.0442567336029059,0.07595435542457679,0.22446199712151327,0.2382376122267151,0.14572767459392777
EOS-2-16384,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)s5)n34)cc2)cn1,LOQUBFILRLLHPG-UHFFFAOYSA-N,2,1,0.293,42,171,437.492,3.772,6,0.414,0.67,1.0,0.020432115687752724,0.08287643067644439,0.33019498320882734,0.3133352751696251,0.18670970118566238
EOS-2-16385,Cn1c(-c2csnn2)ccc1-c1cncc2nnc(-c3nccnc3-c3ccccc3)n12,OSPVLYKZDPGHJC-UHFFFAOYSA-N,2,1,0.297,64,365,437.492,3.772,6,0.414,0.49,1.0,0.05864060037009115,0.016902542663285586,0.13621410458501818,0.20304468507984375,0.10370048317455967
EOS-2-16386,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)s4)n23)cc1,UYDYEJFIOZKDSO-UHFFFAOYSA-N,2,1,0.311,42,762,437.492,3.772,6,0.414,0.67,1.0,0.05340620930710712,0.07596292234939346,0.23914570625728188,0.23518778699198137,0.15092565622644097
EOS-2-16387,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)s2)cn1,IEFLXCZKCRCMRV-UHFFFAOYSA-N,2,1,0.315,42,608,437.492,3.772,6,0.414,0.66,1.0,0.039896168871221986,0.07597148927421013,0.21736001644849565,0.20601740799122747,0.1348112706462888
EOS-2-16388,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4)n23)cn1,CUPOYYQWEGLZRW-UHFFFAOYSA-N,2,1,0.296,38,727,437.492,3.772,6,0.414,0.7,1.0,0.08644883832499486,0.08943869508601192,0.2318466863134809,0.2648379137824686,0.16814303337673908
EOS-2-16389,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)s4)n23)nc1,FSVJNRFXDGRBBM-UHFFFAOYSA-N,2,1,0.319,30,945,437.492,3.772,6,0.414,0.67,1.0,0.07759920498937702,0.0795181961483106,0.11313480912891509,0.15646631485162085,0.1066796312795559
EOS-2-16390,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4csnn4)cn3)n12,ZDAHZAUQBYKOEJ-UHFFFAOYSA-N,2,1,0.266,30,541,437.492,3.772,6,0.414,0.65,0.824,0.024569940374203274,0.020226509492152697,0.14827633472688645,0.20884449318072784,0.10047931944349256
EOS-2-16391,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cn5)n34)cc2)nn1,GKNUTUPPKKPNEU-UHFFFAOYSA-N,2,1,0.284,38,339,437.492,3.772,6,0.414,0.71,1.0,0.01407545747378521,0.026883010074703586,0.28642656432047153,0.2944195051744226,0.15545113426084572
EOS-2-16392,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)s1,DTWRAXCXXICCKW-UHFFFAOYSA-N,2,1,0.303,10,37,437.492,3.866,6,0.413,0.6,0.992,0.0007453224590500993,0.0022959358508669726,0.05789527791104105,0.09909361935439655,0.040007538893838665
EOS-2-16393,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)c2)nn1,RWFMVLPZXDEAPF-UHFFFAOYSA-N,2,1,0.29,42,725,437.492,3.772,6,0.414,0.73,1.0,0.03540710026728806,0.06862963470632581,0.30073332876430675,0.297529298882873,0.1755748406551984
EOS-2-16394,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cs2)n1,JOBQVLONMQBWHM-UHFFFAOYSA-N,2,1,0.307,98,725,437.492,3.772,6,0.414,0.7,1.0,0.0937821259680625,0.1052532382975807,0.17686416284010692,0.22616681516003015,0.15051658556644507
EOS-2-16395,Cn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,MGYFLQGXPKXHJQ-UHFFFAOYSA-N,2,1,0.341,8,899,437.492,3.772,6,0.414,0.73,1.0,0.0676787060516757,0.08632890137756151,0.11314337605373176,0.17511651017750668,0.11056687341511891
EOS-2-16396,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)c2)nn1,TXUQOSKXMBMHMC-UHFFFAOYSA-N,2,1,0.32,9,764,437.492,3.772,6,0.414,0.68,1.0,0.02810808032348708,0.04594441779178946,0.33413576862449457,0.3643598793776986,0.19313703652936742
EOS-2-16397,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccn6)s5)n34)nc2)n1,OCLRYHVGHRIPFU-UHFFFAOYSA-N,2,1,0.298,70,191,437.492,3.772,6,0.414,0.59,1.0,0.0329740936193544,0.06095367007059146,0.142330888904119,0.14860187786991982,0.09621513261599617
EOS-2-16398,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)nc1,SLAYSEOSMIRCFL-UHFFFAOYSA-N,2,1,0.324,38,193,437.492,3.772,6,0.414,0.76,1.0,0.06045678843122473,0.07952676307312727,0.20362723596737714,0.20885306010554452,0.1381159618943184
EOS-2-16399,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)n1,RUZNUHQZWLYSIZ-UHFFFAOYSA-N,2,1,0.32,9,98,437.492,3.772,6,0.414,0.64,1.0,0.07991227468987733,0.09242855184702899,0.2605887190734014,0.28838839010348843,0.18032948392844905
EOS-2-16400,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cn1,XQKXTOMMHIUDLQ-UHFFFAOYSA-N,2,1,0.312,42,167,437.492,3.772,6,0.414,0.65,1.0,0.06768727297649235,0.10194640531834692,0.2677763689945857,0.31640223425399217,0.1884530703858543
EOS-2-16401,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)nc2)cs1,KDLXWFUQDXNPAT-UHFFFAOYSA-N,2,1,0.296,10,37,437.492,3.866,6,0.413,0.79,0.999,0.0010537317524501404,0.008412720169967788,0.16403090946473853,0.18611644164210814,0.08990345075731615
EOS-2-16402,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cn2)cn1,YZIPPNWQZKZFHI-UHFFFAOYSA-N,2,1,0.293,9,339,437.492,3.772,6,0.414,0.73,1.0,0.017647865122335685,0.045952984716606124,0.37530840929340004,0.36436844630251525,0.20081942635871428
EOS-2-16403,Cn1nc(-c2cncc3nnc(-c4cnccc4-c4ccccc4)n23)cc1-c1nncs1,YUPYEBXGLZKBEO-UHFFFAOYSA-N,2,1,0.312,30,541,437.492,3.772,6,0.414,0.63,0.345,0.07562024535672675,0.06096223699540813,0.15758001507778768,0.23225789870468097,0.1316050990336509
EOS-2-16404,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)[nH]1,NDXJOAMUHPUEMB-UHFFFAOYSA-N,2,1,0.289,70,392,437.492,4.07,6,0.442,0.56,0.22,0.04136967993968885,0.08633746830237818,0.1640394763895552,0.18353779727229114,0.11882110547597835
EOS-2-16405,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)s1,GZZDTFKXLZZYBA-UHFFFAOYSA-N,2,1,0.301,9,537,437.492,4.07,6,0.442,0.65,1.0,0.07760777191419369,0.12479439380439997,0.24615345075731615,0.2559711465972175,0.17613169076828183
EOS-2-16406,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncs5)cn4)n23)cc1,XNUSQGOIBMUKAT-UHFFFAOYSA-N,2,1,0.319,38,42,437.492,3.772,6,0.414,0.64,1.0,0.10106401206223015,0.08288499760126106,0.2498115276540333,0.2466246316222329,0.17009629223493936
EOS-2-16407,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncs6)cc5)n34)cc2)nn1,AJFFPUCWJWXCGU-UHFFFAOYSA-N,2,1,0.323,9,894,437.492,3.772,6,0.414,0.67,1.0,0.03834555547940511,0.07243334932492633,0.3117246933040916,0.32251045164827635,0.18625351243917485
EOS-2-16408,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cn1,FUFYHNPNHKKDOR-UHFFFAOYSA-N,2,1,0.296,9,727,437.492,3.772,6,0.414,0.71,1.0,0.050193612500856695,0.06863820163114248,0.31561407717085876,0.31931498869165925,0.1884402199986293
EOS-2-16409,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncs6)cc5)n34)cn2)cn1,MDMUVPOWCJHGTJ-UHFFFAOYSA-N,2,1,0.293,9,339,437.492,3.772,6,0.414,0.72,1.0,0.03835412240422178,0.0759800561990268,0.3373912000548283,0.3193235556164759,0.1927622335686382
EOS-2-16410,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cc2)no1,FJZGASXVPAMXAM-UHFFFAOYSA-N,2,1,0.337,69,898,437.488,4.94,6,0.385,0.81,1.0,0.19683366458775958,0.20951271331642793,0.3638544308135152,0.34815125762456306,0.2795880165855664
EOS-2-16411,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cc2)o1,CEBVREJHJCUYNK-UHFFFAOYSA-N,2,1,0.325,69,898,437.488,4.94,6,0.385,0.72,1.0,0.13324138167363445,0.19997772599547667,0.4337177026934412,0.4180316633541224,0.29624211842916864
EOS-2-16412,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)cn5)n34)cc2)o1,IUEGLJMWXMDJCI-UHFFFAOYSA-N,2,1,0.316,41,818,437.488,4.94,6,0.385,0.64,1.0,0.18561099307792475,0.17393427455280652,0.5284079226920705,0.4776745939277637,0.3414069460626413
EOS-2-16413,Cc1ocnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)s1,YOOAWUUJLIPEKW-UHFFFAOYSA-N,2,1,0.308,32,515,437.488,4.94,6,0.385,0.64,0.403,0.1332499485984511,0.13142519361250085,0.2567850044548009,0.29131827839078883,0.20319460626413544
EOS-2-16414,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)s2)nn1,GDBQQRBGHHSALP-UHFFFAOYSA-N,2,1,0.308,38,270,437.488,4.94,6,0.385,0.68,1.0,0.17993968884929065,0.19074258104310876,0.4298454526763073,0.4118035090124049,0.30308280789527786
EOS-2-16415,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)s5)n34)cc2)o1,QNHOCUVRNBOLMG-UHFFFAOYSA-N,2,1,0.347,93,641,437.488,4.94,6,0.385,0.69,1.0,0.14973271194571997,0.18227845932424097,0.27122883969570283,0.29753786580768965,0.22519446919333835
EOS-2-16416,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)n2)o1,JUHPJAUGVHADQB-UHFFFAOYSA-N,2,1,0.315,38,270,437.488,4.94,6,0.385,0.69,1.0,0.15787129052155438,0.15767425125077103,0.31173326022890824,0.35135528750599687,0.24465852237680763
EOS-2-16417,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)o1,NZGYAWPWKJJWPP-UHFFFAOYSA-N,2,1,0.31,38,818,437.488,4.94,6,0.385,0.66,1.0,0.1740713453498732,0.21940751147967927,0.47990199438009734,0.4278236584195737,0.3253011274073059
EOS-2-16418,Cc1noc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cs2)n1,RTHHUMFAPUZUAX-UHFFFAOYSA-N,2,1,0.385,93,651,437.488,4.94,6,0.385,0.7,1.0,0.2243420601740799,0.260186073607018,0.20363580289219382,0.28545850181618804,0.24340560962236996
EOS-2-16419,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cc5)n34)cc2)o1,MDCWTAVGRMORKX-UHFFFAOYSA-N,2,1,0.325,69,898,437.488,4.94,6,0.385,0.82,1.0,0.1168014529504489,0.19998629292029332,0.37916352546090054,0.3643770132273319,0.26508207113974364
EOS-2-16420,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)o1,JAPFYRZCGSILMH-UHFFFAOYSA-N,2,1,0.306,9,894,437.488,4.94,6,0.385,0.73,1.0,0.09627510108971284,0.142485093550819,0.5314834487012542,0.49892913439791653,0.31729319443492565
EOS-2-16421,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)o1,XEAQXKFKQVLZKP-UHFFFAOYSA-N,2,1,0.325,69,898,437.488,4.94,6,0.385,0.72,1.0,0.13325851552326776,0.19999485984511,0.43372626961825783,0.41804023027893905,0.2962549688163936
EOS-2-16422,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)cn2)o1,ZUUHATHPIOQKNS-UHFFFAOYSA-N,2,1,0.342,42,723,437.488,4.94,6,0.385,0.78,0.996,0.19392947707490918,0.1739428414776232,0.44119662805839216,0.4050870399561373,0.3035389966417655
EOS-2-16423,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nc2)no1,UEABRRRCAPEJOL-UHFFFAOYSA-N,2,1,0.322,42,818,437.488,4.94,6,0.385,0.78,1.0,0.232566307998081,0.2095212802412446,0.3753169762182167,0.39298197519018574,0.302596634911932
EOS-2-16424,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)s2)nn1,ZDBYOOJJALJTAA-UHFFFAOYSA-N,2,1,0.31,38,270,437.488,4.94,6,0.385,0.73,1.0,0.14396717154410252,0.20000342676992666,0.367546775409499,0.34484442464532933,0.2640904495922144
EOS-2-16425,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)c2)o1,GTKSOPCWYOMVQL-UHFFFAOYSA-N,2,1,0.322,69,598,437.488,4.94,6,0.385,0.79,1.0,0.11681001987526557,0.17816633541224042,0.36386299773833186,0.35760057569734766,0.2541099821807964
EOS-2-16426,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(-c4cccc(-c5cocn5)n4)n23)s1,VRCVRGBWGIXBOQ-UHFFFAOYSA-N,2,1,0.318,30,126,437.488,4.94,6,0.385,0.62,0.992,0.060465355356041396,0.11478822561853197,0.16082687958330477,0.21507264752244534,0.13778827702008087
EOS-2-16427,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)cc2)o1,QLTDMOLYTNRBFW-UHFFFAOYSA-N,2,1,0.31,38,818,437.488,4.94,6,0.385,0.73,1.0,0.17134706325817284,0.21436159276266192,0.41131519429785485,0.367649578507299,0.29116835720649714
EOS-2-16428,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)cc2)o1,QAOYLBOTIXMDIO-UHFFFAOYSA-N,2,1,0.312,32,126,437.488,4.94,6,0.385,0.78,1.0,0.1439757384689192,0.13879274895483518,0.2864351312452882,0.30379172092385714,0.21824883489822494
EOS-2-16429,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cc2)o1,QMCLOGYVKNVTBZ-UHFFFAOYSA-N,2,1,0.325,69,898,437.488,4.94,6,0.385,0.82,1.0,0.11681858680008224,0.20001199369474335,0.3791720923857172,0.36438558015214856,0.26509706325817284
EOS-2-16430,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)n1,BCQBPAPSHGVPFP-UHFFFAOYSA-N,2,1,0.314,9,894,437.488,4.94,6,0.385,0.69,1.0,0.14974127887053662,0.2045952984716606,0.42985401960112396,0.39915016105818657,0.2958351895003769
EOS-2-16431,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncs6)c5)n34)o2)nn1,SKLUQEILHCHNQP-UHFFFAOYSA-N,2,1,0.25,32,541,437.488,4.94,6,0.385,0.58,0.997,0.07761633883901035,0.06864676855595915,0.4113237612226715,0.4118120759372216,0.24234973613871566
EOS-2-16432,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cc2)cs1,XJBWBKSEZVIPJH-UHFFFAOYSA-N,2,1,0.352,93,641,437.488,4.94,6,0.385,0.82,1.0,0.17407991227468989,0.19536015351929273,0.2712374066205195,0.29442807209923927,0.23377638612843535
EOS-2-16433,CCN=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)s1,XFUPMUOZBWMPOJ-UHFFFAOYSA-N,2,1,0.516,91,669,462.514,3.319,5,0.372,0.44,1.0,0.6995579466794599,0.48795490370776506,0.2072339113151943,0.1669950654513056,0.3904354567884313
EOS-2-16434,CNCc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)s1,JCABOOYKARPCIE-UHFFFAOYSA-N,2,1,0.5,75,496,462.514,3.185,5,0.375,0.67,1.0,0.4079483928449044,0.2345881022548146,0.24616201768213283,0.21759132341854567,0.27657245905009936
EOS-2-16435,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nccn6C)c5)n34)cc2)n1,GQEVFJCXOKYFKO-UHFFFAOYSA-N,2,1,0.506,77,755,462.517,4.171,6,0.369,0.64,1.0,0.48052737989171407,0.27595778219450345,0.5214001781920362,0.41182064286203823,0.42242649578507296
EOS-2-16436,COc1cc(-c2cnn(C)n2)ccc1-c1cncc2nnc(-c3ccn(C)c3-c3ccccc3)n12,ICRUPWPVYOOZCL-UHFFFAOYSA-N,2,1,0.341,30,598,462.517,4.268,6,0.38,0.57,0.987,0.18851518059077513,0.07598862312384347,0.4695874169008293,0.3929905421150024,0.2817704406826126
EOS-2-16437,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccnn6C)c5)n34)cc2)n1,GZRFWNOQXHVWBC-UHFFFAOYSA-N,2,1,0.53,77,755,462.517,4.171,6,0.369,0.59,1.0,0.4978411349461997,0.30154718662189023,0.5781132204783771,0.4593499417449112,0.4592128709478445
EOS-2-16438,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)nn1C,CCGYYAFZKIRLRE-UHFFFAOYSA-N,2,1,0.512,77,603,462.517,4.265,6,0.367,0.71,1.0,0.4563857857583442,0.3066616407374409,0.3791806593105339,0.31933212254129256,0.36539005208690295
EOS-2-16439,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)cc1,FWVAFZVQRJJJBU-UHFFFAOYSA-N,2,1,0.473,77,933,462.517,4.439,6,0.349,0.77,1.0,0.45639435268316086,0.21941607840449592,0.5583578918511412,0.45935850866972794,0.4233817079021315
EOS-2-16440,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)cc1,QFPXAMRKZJSFEY-UHFFFAOYSA-N,2,1,0.484,40,932,462.517,4.439,6,0.349,0.63,1.0,0.4216212048523062,0.27072339113151944,0.5147265437598519,0.4216040710026729,0.4071688026865876
EOS-2-16441,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5)n34)cc2)cn1,DZVZABATHKQSKO-UHFFFAOYSA-N,2,1,0.597,77,190,462.517,4.171,6,0.369,0.7,1.0,0.5235076416969364,0.369971215132616,0.6869560002741416,0.562410047289425,0.5357112260982798
EOS-2-16442,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccn(C)n6)c5)n34)cc2)cn1,YXEUVORNSPSJGS-UHFFFAOYSA-N,2,1,0.518,77,190,462.517,4.171,6,0.369,0.72,1.0,0.512970324172435,0.37482866150366667,0.6187118771845658,0.4989377013227332,0.5013621410458502
EOS-2-16443,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cn(C)nc5-c5ccccc5)n34)cc2)n1,SWXSLYURPGZVDY-UHFFFAOYSA-N,2,1,0.5,77,755,462.517,4.171,6,0.369,0.68,1.0,0.37485436227811664,0.28085806318963746,0.41515317661572204,0.3513638544308135,0.3555573641285724
EOS-2-16444,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4)n23)cc1,SGBIPIPBKDOCGG-UHFFFAOYSA-N,2,1,0.5,77,190,462.517,4.265,6,0.367,0.64,1.0,0.4216297717771229,0.2862894935234048,0.62461448838325,0.4806815845384141,0.45330383455554796
EOS-2-16445,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc6ccccc56)n34)ccn2)cn1,KYGVQWIIMXMBAY-UHFFFAOYSA-N,2,1,0.484,75,329,462.517,4.239,6,0.35,0.74,1.0,0.3587656774724145,0.18666472483037488,0.3563155369748475,0.32553457610856007,0.30682012884654924
EOS-2-16446,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnccc6C)cc5)n34)n(C)n2)n(C)n1,LJWDMZIZJDOLRP-UHFFFAOYSA-N,2,1,0.288,98,882,462.521,3.666,6,0.394,0.55,1.0,0.048668699883489826,0.038534027825371804,0.1161932012884655,0.11464258789664862,0.07950962922349393
EOS-2-16447,CC(C)n1nc(-c2nnn(C)n2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,MNQZNRJKXPPHFC-UHFFFAOYSA-N,2,1,0.338,25,791,462.521,4.093,6,0.38,0.72,0.837,0.10107257898704682,0.08944726201082859,0.11035055856349804,0.12589096018093346,0.10669033993557672
EOS-2-16448,CC#Cc1cncc(COc2cncc3nnc(-c4ccc(-c5nc(C)nn5C)cc4)n23)n1,NGOOYJFGIHRWTC-UHFFFAOYSA-N,2,1,0.455,36,320,437.467,2.636,5,0.386,0.58,1.0,0.31317250359810844,0.19536872044410938,0.1220187101637996,0.07293879788910973,0.17587468302378179
EOS-2-16449,CC#Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2C)n1,HMRCFDICWRCZHB-UHFFFAOYSA-N,2,1,0.464,31,477,437.467,2.37,5,0.373,0.64,0.999,0.24101329586731546,0.07953532999794394,0.09735453361661298,0.0729473648139264,0.1227126310739497
EOS-2-16450,CCc1cncc(COc2cncc3nnc(-c4ccc(-c5cn(CC#N)cn5)nc4)n23)c1,FWBYFLIVIZNSGB-UHFFFAOYSA-N,2,1,0.442,55,823,437.467,3.11,5,0.381,0.69,0.996,0.4035535604139538,0.3117846617778082,0.39001781920361867,0.2766088684805702,0.34549122746898775
EOS-2-16451,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2C)s1,WLBJPNCJNCNRNO-UHFFFAOYSA-N,2,1,0.438,31,477,437.464,2.507,5,0.399,0.61,0.926,0.345032896991296,0.2707319580563361,0.028990473579603864,0.03807141388527174,0.1707066856281269
EOS-2-16452,OCc1cnc(-c2ccc(-c3nnc4cncc(OC5Cc6ccccc6C5)n34)cn2)cn1,CQCISMWYMOLVGR-UHFFFAOYSA-N,2,1,0.483,89,56,437.463,2.682,6,0.447,0.62,1.0,0.4168836954286889,0.46597217462819546,0.45887019395517786,0.43083921595504077,0.44314131999177575
EOS-2-16453,c1ccc(-c2nscc2COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,KFDLBAHPDZKLLJ-UHFFFAOYSA-N,2,1,0.5,12,427,462.538,5.556,6,0.323,0.69,1.0,0.5361181550270715,0.47037557398396274,0.5617418271537249,0.5752004660407101,0.5358590055513673
EOS-2-16454,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)s5)n34)cc2)cc1,UWMMZFFVUUFVJV-UHFFFAOYSA-N,2,1,0.529,12,285,462.538,5.556,6,0.323,0.76,1.0,0.6216846000959496,0.6531337810979371,0.5554708381879241,0.5656740456445755,0.5989908162565966
EOS-2-16455,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cn5)n34)cn2)cc1,PXIQXPPRLOKPKP-UHFFFAOYSA-N,2,1,0.518,41,363,462.538,5.556,6,0.323,0.71,1.0,0.43092488520320743,0.4262045096292235,0.6513518607360702,0.6356658213967514,0.5360367692413132
EOS-2-16456,COc1cccnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)cs4)n23)cc1,LNZMRAAKXFWRDG-UHFFFAOYSA-N,2,1,0.362,93,93,462.538,5.652,6,0.329,0.78,1.0,0.21078918511411143,0.16937667055033925,0.5077016654101844,0.4839541498183812,0.34295541772325405
EOS-2-16457,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cc5)n34)cn2)cc1,VQRGSCZLCQGOEB-UHFFFAOYSA-N,2,1,0.551,12,427,462.538,5.556,6,0.323,0.79,1.0,0.587656774724145,0.49250394078541565,0.6869645671989583,0.6642793502844219,0.6078511582482352
EOS-2-16458,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccsc6)n5)n34)cc2)cc1,RQMPCOFWSOVQSM-UHFFFAOYSA-N,2,1,0.524,12,285,462.538,5.556,6,0.323,0.73,1.0,0.565168597080392,0.5476749366047563,0.5781217874031938,0.5846840518127613,0.5689123432252758
EOS-2-16459,c1ccc(-c2cscc2COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1,XSPJWLIYWGCUAP-UHFFFAOYSA-N,2,1,0.448,28,363,462.538,5.556,6,0.323,0.67,1.0,0.5566188061133576,0.4746333356178466,0.6187204441093825,0.6058443561099308,0.5639542354876294
EOS-2-16460,COc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)s4)n23)cc1,VOFUNTSIPVNRNB-UHFFFAOYSA-N,2,1,0.377,32,126,462.538,5.652,6,0.329,0.75,1.0,0.2463504900280995,0.1781749023370571,0.5781303543280104,0.5162000548283189,0.3797139503803715
EOS-2-16461,COc1ccc(-c2cscn2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,UAKRQBNTWQNQGF-UHFFFAOYSA-N,2,1,0.318,30,737,462.538,5.652,6,0.329,0.8,0.999,0.1411315194297855,0.035552737989171405,0.6763158796518401,0.6384672058118018,0.3728668357206497
EOS-2-16462,c1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1,GOWJDNIIYXDDPR-UHFFFAOYSA-N,2,1,0.518,12,427,462.538,5.556,6,0.323,0.68,1.0,0.6105732986087314,0.49251250771023236,0.6331814131999177,0.615199438009732,0.5878666643821534
EOS-2-16463,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cn5)n34)cc2)ccn1,GISAPDFJBNEHED-UHFFFAOYSA-N,2,1,0.597,41,592,462.538,5.556,6,0.323,0.68,1.0,0.4564029196079775,0.5020046604071002,0.7465817969981495,0.7129566170927284,0.6044864985264888
EOS-2-16464,c1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc(-c2ccsc2)c1,JAGIIJGALPRMEG-UHFFFAOYSA-N,2,1,0.53,41,78,462.538,5.556,6,0.323,0.71,1.0,0.6723922280858063,0.5382598862312384,0.7604173805770681,0.7286940579809471,0.674940888218765
EOS-2-16465,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)cc2)cc1,XJLWFMKRJCPDEI-UHFFFAOYSA-N,2,1,0.512,12,285,462.538,5.556,6,0.323,0.72,1.0,0.49532245905009936,0.5064508943869509,0.6216846000959496,0.6356743883215681,0.564783085463642
EOS-2-16466,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cc1,YCQLEHOAMWQBNP-UHFFFAOYSA-N,2,1,0.4,21,538,462.538,5.652,6,0.329,0.72,1.0,0.0962836680145295,0.08945582893564526,0.7514478102940169,0.7155438283873621,0.41318278390788843
EOS-2-16467,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cc5)n34)cc2)nc1,PSLYQZAYNSLJIF-UHFFFAOYSA-N,2,1,0.595,12,427,462.538,5.556,6,0.323,0.82,1.0,0.627450140497567,0.5382684531560551,0.7211551641422795,0.6789544924953739,0.6414570625728189
EOS-2-16468,c1ccc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6ccccc6)n5)n34)cn2)cc1,QVWRFVPOGLZTLU-UHFFFAOYSA-N,2,1,0.488,12,47,462.538,5.556,6,0.323,0.75,1.0,0.41463916112672194,0.4659807415530121,0.4729884860530464,0.48977109176889866,0.4608448701254198
EOS-2-16469,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cc2)cc1,ZVUKNRZNORKFGA-UHFFFAOYSA-N,2,1,0.593,12,285,462.538,5.556,6,0.323,0.74,1.0,0.4494380097320266,0.5153776300459187,0.6763244465766568,0.6613580289219382,0.5756245288191351
EOS-2-16470,COc1cc(-c2nnc3cncc(OCc4ccc(F)s4)n23)ccc1-c1ncn(C)n1,DICJPYZROABKCP-UHFFFAOYSA-N,2,1,0.5,36,718,437.46,3.375,5,0.402,0.61,1.0,0.5621873072441916,0.6004129257761633,0.3713504900280995,0.25597971352203414,0.4474826091426221
EOS-2-16471,COc1cc(-c2nnc3cncc(OCc4sncc4F)n23)ccc1-c1ccnn1C,LDPKETAXLSIQRN-UHFFFAOYSA-N,2,1,0.488,16,591,437.46,3.375,5,0.402,0.58,1.0,0.5621958741690083,0.4832773627578644,0.3900263861284353,0.2825800150777877,0.4295199095332739
EOS-2-16472,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(C)cs6)cn5)n34)cc2)n1,XTRFKFLNXYRXSI-UHFFFAOYSA-N,2,1,0.303,38,532,462.542,5.051,6,0.362,0.66,1.0,0.05864916729490782,0.1283239668288671,0.3341443355493112,0.28839695702830515,0.20237860667534782
EOS-2-16473,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)s6)cc5)n34)cc2)cn1,BBTWPJIZDULNRB-UHFFFAOYSA-N,2,1,0.324,9,98,462.542,5.051,6,0.362,0.69,1.0,0.06976903570694264,0.12480296072921664,0.39003495305325203,0.3543280104173806,0.23473373997669797
EOS-2-16474,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(C)nn6)s5)n34)cc2)nn1,QDJUFJROEQLKKC-UHFFFAOYSA-N,2,1,0.319,38,270,462.542,5.051,6,0.362,0.72,1.0,0.12476869302994997,0.18228702624905763,0.34481015694606265,0.3164108011788089,0.24206916935096978
EOS-2-16475,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)s6)cn5)n34)cc2)n1,ZJOWRNLXJFWWIT-UHFFFAOYSA-N,2,1,0.303,38,532,462.542,5.051,6,0.362,0.61,1.0,0.04280892330888904,0.11777808237954904,0.29351997806867247,0.28258858200260434,0.18417389143992874
EOS-2-16476,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)cn2)nn1,GAYIZDZXMBYKOZ-UHFFFAOYSA-N,2,1,0.293,38,532,462.542,5.051,6,0.362,0.7,1.0,0.058657734219724485,0.14997258584058668,0.37135905695291616,0.3255431430333767,0.226383130011651
EOS-2-16477,c1cnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)n2)nc1,CZXDNTSMCZNARC-UHFFFAOYSA-N,2,1,0.301,98,608,437.452,2.619,6,0.405,0.49,1.0,0.07562881228154342,0.13880131587965183,0.052292509080940304,0.07295593173874305,0.08491964224521965
EOS-2-16478,c1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nncs6)nc5)n34)cn2)cn1,JDMUBAPFEWZYBW-UHFFFAOYSA-N,2,1,0.274,86,165,437.452,2.619,6,0.405,0.68,0.999,0.08645740524981153,0.1693852374751559,0.09054382838736207,0.10744637105064767,0.11345821054074429
EOS-2-16479,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5nnnn5C)n34)cn2)s1,BYRDMUFYMXXICR-UHFFFAOYSA-N,2,1,0.432,92,105,437.449,0.858,5,0.357,0.66,1.0,0.2434548694400658,0.2453224590500994,0.001747652662600233,0.0003255431430333767,0.12271263107394971
EOS-2-16480,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c(F)c1,GTYXACQQLVSABA-UHFFFAOYSA-N,2,1,0.325,9,642,437.442,3.783,6,0.45,0.68,1.0,0.2382376122267151,0.3359091220615448,0.5845469810156946,0.6025546569803304,0.4403120930710712
EOS-2-16481,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)nc4)n23)c(F)c1,HVCWKDVRAFFSOC-UHFFFAOYSA-N,2,1,0.299,42,693,437.442,3.783,6,0.45,0.65,1.0,0.25187615653485024,0.34076656843259545,0.5486087314097732,0.5331368651908711,0.4185970803920225
EOS-2-16482,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)cc1,BMSBPJDMXHKBNE-UHFFFAOYSA-N,2,1,0.362,3,642,437.442,3.579,6,0.419,0.76,1.0,0.02353334247138647,0.2046038653964773,0.5314920156260708,0.5656826125693921,0.3313279590158317
EOS-2-16483,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(F)c1,KYVFCXSPGOQHQL-UHFFFAOYSA-N,2,1,0.317,9,537,437.442,3.783,6,0.45,0.65,1.0,0.21893633061476253,0.27074052498115275,0.6246230553080666,0.6058529230347475,0.4300382084846823
EOS-2-16484,Cn1ncc(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3F)n12,COAGHXXCHYPDRK-UHFFFAOYSA-N,2,1,0.333,3,7,437.442,3.783,6,0.45,0.6,1.0,0.12764717976835036,0.2862980604482215,0.47299705297786304,0.529555890617504,0.3541245459529847
EOS-2-16485,Cn1cc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)c(-c2ccccc2)n1,GULBYIRVWPGUMD-UHFFFAOYSA-N,2,1,0.327,30,39,437.442,3.579,6,0.419,0.71,1.0,0.011788088547734905,0.12115345075731615,0.3341529024741279,0.44326982386402575,0.22759106641080118
EOS-2-16486,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)cn1,VFCGOLSBFOBCBX-UHFFFAOYSA-N,2,1,0.333,9,7,437.442,3.783,6,0.45,0.72,1.0,0.21079775203892812,0.2759663491193201,0.6815845384140908,0.6527654033308203,0.45527851072578984
EOS-2-16487,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cc2)n[nH]1,IWZUDMHSLHBHES-UHFFFAOYSA-N,2,1,0.315,3,150,437.442,3.877,6,0.449,0.73,1.0,0.014949283805085327,0.1655044205332054,0.5147351106846686,0.5295644575423206,0.30618831814131997
EOS-2-16488,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)cc1,XEOYPRAHVRXHTN-UHFFFAOYSA-N,2,1,0.321,9,537,437.442,3.783,6,0.45,0.65,1.0,0.21597217462819546,0.2654975669933521,0.6272788020012336,0.6122267150983483,0.4302438146802824
EOS-2-16489,Cn1cc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(-c2ccc(F)cc2)n1,KCJRFEJCCOPHHL-UHFFFAOYSA-N,2,1,0.329,10,39,437.442,3.579,6,0.419,0.74,1.0,0.017656432047152355,0.13880988280446852,0.37136762387773287,0.47178054965389626,0.24990362209581252
EOS-2-16490,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)nc1,SRXBPWWPIGTRKV-UHFFFAOYSA-N,2,1,0.31,38,154,437.442,3.783,6,0.45,0.72,1.0,0.2703378795147694,0.31689054896854224,0.5486172983345898,0.5431516003015557,0.4197493317798643
EOS-2-16491,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccnn5-c5cccc(F)c5)n34)cc2)n[nH]1,NGWGIGFMOMPZAH-UHFFFAOYSA-N,2,1,0.323,3,115,437.442,3.877,6,0.449,0.64,1.0,0.0292474813241039,0.20002056061956,0.4412051949832088,0.47768316085258034,0.2870390994448633
EOS-2-16492,Cn1ncc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c1-c1ccc(F)cc1,QRTWYHHSGZRGRU-UHFFFAOYSA-N,2,1,0.337,10,39,437.442,3.579,6,0.419,0.66,1.0,0.01841032143101912,0.14249366047563566,0.38276163388390105,0.48396271674319785,0.2569070831334384
EOS-2-16493,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)n[nH]1,RNAPVQJAOMAFON-UHFFFAOYSA-N,2,1,0.31,9,537,437.442,4.081,6,0.43,0.73,1.0,0.3254489068603934,0.3984733739976698,0.6272873689260503,0.6152080049345487,0.49160441367966556
EOS-2-16494,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cn6)c5)n34)cc2)cn1,AGHKOZRISXNRGG-UHFFFAOYSA-N,2,1,0.366,42,150,437.442,3.579,6,0.419,0.74,1.0,0.030318346926187376,0.20002912754437668,0.5941333698855459,0.5752090329655267,0.34992246933040916
EOS-2-16495,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)nc4)n23)c1-c1ccc(F)cc1,DSPUZJCAOKXUOV-UHFFFAOYSA-N,2,1,0.333,96,693,437.442,3.783,6,0.45,0.61,0.999,0.17135563018298952,0.29164382153382223,0.5004283462408334,0.5461243232129395,0.37738803029264617
EOS-2-16496,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)cc1,ACSBCAGZLJCJES-UHFFFAOYSA-N,2,1,0.326,3,115,437.442,3.579,6,0.419,0.71,1.0,0.03541566719210472,0.16169213898978824,0.47608971283668017,0.512816119525735,0.296503409636077
EOS-2-16497,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)nc1,NPBNFFOUNRHIQD-UHFFFAOYSA-N,2,1,0.314,38,572,437.442,3.783,6,0.45,0.66,1.0,0.17994825577410734,0.25527722568706734,0.6157819888972654,0.5966777465560962,0.41192130422863404
EOS-2-16498,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)c4)n23)cc1,UWFUJBUTHVBPBQ-UHFFFAOYSA-N,2,1,0.333,3,150,437.442,3.579,6,0.419,0.81,1.0,0.020440682612569393,0.1693938043999726,0.5110856007127681,0.5362123912000548,0.30928311973134126
EOS-2-16499,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1-c1ccc(F)cc1,GVYVUVDEOVKFIZ-UHFFFAOYSA-N,2,1,0.364,9,340,437.442,3.783,6,0.45,0.53,1.0,0.13326708244808444,0.2601946405318347,0.5684754300596258,0.6294719347543006,0.3978522719484614
EOS-2-16500,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cc2)n[nH]1,XPYJRPLIHVOVFE-UHFFFAOYSA-N,2,1,0.303,3,39,437.442,3.877,6,0.449,0.63,1.0,0.01942978548420259,0.21942464532931258,0.5110941676375849,0.5560362552258241,0.3264962134192311
EOS-2-16501,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cc2)n[nH]1,CWZZAPFOUOYBLW-UHFFFAOYSA-N,2,1,0.347,3,150,437.442,3.877,6,0.449,0.74,1.0,0.01943835240901926,0.16551298745802207,0.5284164896168871,0.5393221849085053,0.31317250359810844
EOS-2-16502,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)[nH]n6)cc5)n34)nc2)n1,FZDKLMSVUDMBFJ-UHFFFAOYSA-N,2,1,0.329,38,787,437.442,3.783,6,0.45,0.66,1.0,0.14114008635460215,0.24533102597491604,0.5719964361592763,0.5431601672263724,0.37540692892879174
EOS-2-16503,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(F)c1,WRDDDXCDGTWXRN-UHFFFAOYSA-N,2,1,0.318,3,668,437.442,3.579,6,0.419,0.74,1.0,0.025657939825920087,0.2345966691796313,0.47300561990267975,0.5128246864505517,0.3115212288396957
EOS-2-16504,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6)nn5)n34)cc2)n[nH]1,CTGYGCSHDARVTO-UHFFFAOYSA-N,2,1,0.304,3,783,437.442,3.877,6,0.449,0.58,1.0,0.031620519498320884,0.19075114796792544,0.5384740593516552,0.5752175998903434,0.33401583167706117
EOS-2-16505,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4F)n23)c1,JXWYMMPTHYTMLZ-UHFFFAOYSA-N,2,1,0.318,9,642,437.442,3.783,6,0.45,0.72,1.0,0.21080631896374477,0.30667020766225755,0.5554794051127407,0.587682475498595,0.4151596018093345
EOS-2-16506,Cn1cc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)c(-c2ccccc2)n1,LTLQPWZBAFYIDK-UHFFFAOYSA-N,2,1,0.324,10,39,437.442,3.579,6,0.419,0.72,1.0,0.015814543211568777,0.1248115276540333,0.3563241038996642,0.4624426016037283,0.23984819409224864
EOS-2-16507,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1-c1ccc(F)cc1,CGRXXDKNUSXRGJ-UHFFFAOYSA-N,2,1,0.354,9,7,437.442,3.783,6,0.45,0.63,1.0,0.15514700842985402,0.2808666301144541,0.5183075183332191,0.5689723116989925,0.3808233671441299
EOS-2-16508,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)cc1,TZZBSXJUNYEGMW-UHFFFAOYSA-N,2,1,0.317,9,7,437.442,3.783,6,0.45,0.7,1.0,0.2780823795490371,0.2916523884586389,0.5752175998903434,0.5624186142142417,0.4268427455280652
EOS-2-16509,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)cc1,LRPLTDZNKWVOPA-UHFFFAOYSA-N,2,1,0.317,9,7,437.442,3.783,6,0.45,0.63,1.0,0.27809094647385374,0.29166095538345554,0.6571174011376876,0.6356829552463847,0.4656380645603454
EOS-2-16510,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)cc1,UQYNMBWKAYJNSL-UHFFFAOYSA-N,2,1,0.321,9,7,437.442,3.783,6,0.45,0.62,1.0,0.20801350147351108,0.25528579261188405,0.6363169076828181,0.612235282023165,0.4279628709478446
EOS-2-16511,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cc2)n[nH]1,NOXAEUDLUFNFBJ-UHFFFAOYSA-N,2,1,0.337,3,289,437.442,3.877,6,0.449,0.68,0.999,0.04867726680830649,0.18667329175519157,0.4760982797614968,0.5128332533753683,0.3060705229250908
EOS-2-16512,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)cc1,ZFGFJTFQXVSHGZ-UHFFFAOYSA-N,2,1,0.322,3,289,437.442,3.579,6,0.419,0.75,1.0,0.05020217942567336,0.21437015968747858,0.4833458981563978,0.5194040847097526,0.3168305804948256
EOS-2-16513,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)[nH]c1F,ANUIEHFHXRFSCD-UHFFFAOYSA-N,2,1,0.293,9,537,437.442,4.081,6,0.43,0.66,1.0,0.302583784524707,0.3066787745870742,0.5554879720375574,0.5258549790967034,0.4226513775615105
EOS-2-16514,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cc2)n[nH]1,TUEJGCLPBMFJGM-UHFFFAOYSA-N,2,1,0.304,3,289,437.442,3.877,6,0.449,0.63,0.96,0.04568741004728943,0.1907597148927421,0.46241690082927833,0.5059882804468508,0.30121307655404017
EOS-2-16515,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(F)c1,IAVXWIQGQMIXSS-UHFFFAOYSA-N,2,1,0.313,9,7,437.442,3.783,6,0.45,0.73,1.0,0.2809522993626208,0.2966811733260229,0.5652799671030087,0.5560448221506408,0.42473956548557323
EOS-2-16516,Fc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3ccc(-c4cccs4)s3)n12,LCYWSPNLIJVLKH-UHFFFAOYSA-N,2,1,0.296,76,653,462.56,5.906,6,0.326,0.62,0.999,0.22435062709889658,0.3505842642724967,0.5350130217257213,0.6152165718593654,0.43129112123912
EOS-2-16517,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccsc4)s3)n12,KJDIWQFRIIZQMY-UHFFFAOYSA-N,2,1,0.289,70,693,462.56,5.906,6,0.326,0.67,0.999,0.1411486532794188,0.22981632513193065,0.627295935850867,0.7043554245767939,0.4256540847097526
EOS-2-16518,Fc1cc(-c2cccs2)ccc1-c1nnc2cncc(-c3ccc(-c4csnn4)s3)n12,ZEZGTTWAQBCABC-UHFFFAOYSA-N,2,1,0.333,76,653,462.56,5.906,6,0.326,0.61,1.0,0.14398430539373586,0.3310431087656775,0.5781389212528271,0.6642879172092385,0.4293635631553697
EOS-2-16519,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)cc1,DJHGHXDASORFSN-UHFFFAOYSA-N,2,1,0.56,11,529,437.438,3.881,5,0.372,0.83,1.0,0.92474813241039,0.8979079569597698,0.8274278664930437,0.7982574874922898,0.8620853608388732
EOS-2-16520,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cc2)o1,LAHMBMYRJFMERJ-UHFFFAOYSA-N,2,1,0.318,3,668,437.438,4.747,6,0.396,0.76,1.0,0.060473922280858065,0.2759749160441368,0.7288054280035638,0.7101380988280447,0.4438480912891508
EOS-2-16521,N#Cc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)nc1,VOFHGEPHHYOKTB-UHFFFAOYSA-N,2,1,0.567,35,201,437.438,3.881,5,0.397,0.82,1.0,0.9093619354396546,0.8799859502433006,0.8165478719758755,0.7912925776163389,0.8492970838187923
EOS-2-16522,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)c(-c2ccc(F)cc2)n1,JINHBFJQAVSVLV-UHFFFAOYSA-N,2,1,0.359,32,693,437.438,4.653,6,0.399,0.8,1.0,0.18279247481324104,0.3117932287026249,0.6363254746076349,0.6613665958467548,0.44806944349256395
EOS-2-16523,N#Cc1ccc(-c2nnc3cncc(OCCc4cnc(-c5ccccn5)c(F)c4)n23)cc1,XBEKUGZKVIHPRU-UHFFFAOYSA-N,2,1,0.651,11,56,437.438,3.881,5,0.397,0.77,1.0,0.9885117538208484,0.9832002604345145,0.7288139949283805,0.7155523953121787,0.8540196011239806
EOS-2-16524,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)ccn2)cn1,SOVRVRGMPGBSRY-UHFFFAOYSA-N,2,1,0.695,11,73,437.438,3.881,5,0.397,0.8,1.0,0.9109382496059215,0.9153073812624221,0.8007161949146734,0.7678877390172024,0.8487123912000548
EOS-2-16525,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)o1,HZCWYCGPKADEAB-UHFFFAOYSA-N,2,1,0.321,32,387,437.438,4.653,6,0.399,0.74,0.999,0.21081488588856145,0.2453395928997327,0.609810842300048,0.6356915221712014,0.4254142108148859
EOS-2-16526,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cc2)cc1F,GXYDILHNSORPKY-UHFFFAOYSA-N,2,1,0.347,69,898,437.438,4.653,6,0.399,0.71,1.0,0.2518847234596669,0.29668974025083955,0.7236053046398465,0.6961997121513261,0.4920948701254198
EOS-2-16527,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nn4)n23)cc1,DXFMSWVDFAIPKX-UHFFFAOYSA-N,2,1,0.638,19,691,437.438,3.881,5,0.397,0.83,0.996,0.9531731889520938,0.9281320677129737,0.7767373723528203,0.7913011445411555,0.8623359433897608
EOS-2-16528,Cn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5conc5-c5ccccc5)n34)c2)cn1,QMJRFCCNXKBMKD-UHFFFAOYSA-N,2,1,0.321,30,192,437.438,4.653,6,0.399,0.66,1.0,0.16050990336508808,0.24021657185936537,0.7029675827564937,0.7233911315194298,0.45677129737509425
EOS-2-16529,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c(F)c1,VWQQBYCRUQSCNN-UHFFFAOYSA-N,2,1,0.342,41,867,437.438,4.653,6,0.399,0.73,1.0,0.3952265094921527,0.3748372284284833,0.7536752107463505,0.7260897128366801,0.5624571653759167
EOS-2-16530,Cc1ccc(-c2nnc3cncc(OCc4cccnc4)n23)c(-c2ccc(C#N)c(F)c2)n1,JNTIQKDERJQVTE-UHFFFAOYSA-N,2,1,0.534,97,214,437.438,4.147,5,0.407,0.68,0.952,0.8614471249400315,0.8075269001439244,0.8064303337673908,0.7525186758961003,0.8069807586868617
EOS-2-16531,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnco6)c5)n34)c(F)c2)n1,HAWRIMKBAKPILA-UHFFFAOYSA-N,2,1,0.346,69,38,437.438,4.653,6,0.399,0.74,1.0,0.2892707833596052,0.3118017956274416,0.7626961825783017,0.742315468439449,0.5265210575011994
EOS-2-16532,Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4F)n23)cn1,VFBRJAOJXNNJBZ-UHFFFAOYSA-N,2,1,0.317,42,150,437.438,4.747,6,0.396,0.73,1.0,0.02044924953738606,0.1822955931738743,0.6216931670207663,0.6265591803166335,0.362749297512165
EOS-2-16533,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1-c1ccc(F)cc1,PAHOFAGPWQOEOG-UHFFFAOYSA-N,2,1,0.387,69,38,437.438,4.653,6,0.399,0.72,1.0,0.2189448975395792,0.3556044822150641,0.7288225618531972,0.7423240353642656,0.5114239942430265
EOS-2-16534,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cc2)o1,SEMTWOIVVZZONP-UHFFFAOYSA-N,2,1,0.364,3,668,437.438,4.747,6,0.396,0.77,1.0,0.06769583990130902,0.2759834829689535,0.7416386813789322,0.7182167089301624,0.45088367829483933
EOS-2-16535,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)cc1,BFIUQGGGLKVTFX-UHFFFAOYSA-N,2,1,0.671,91,613,437.438,3.881,5,0.397,0.76,1.0,0.9918185868000823,0.9860444794736481,0.8181413199917758,0.7866750051401549,0.8956698478514152
EOS-2-16536,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)nc1,MBPWBJXDLKXCPD-UHFFFAOYSA-N,2,1,0.532,11,275,437.438,3.881,5,0.397,0.84,1.0,0.8998269481187033,0.9327839078884244,0.7514563772188335,0.7499143307518333,0.8334953909944487
EOS-2-16537,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccno6)c(F)c5)n34)cc2)n[nH]1,PMUFQPQRMBQYDC-UHFFFAOYSA-N,2,1,0.321,69,38,437.438,4.951,6,0.419,0.63,1.0,0.36319477760263175,0.3794976355287506,0.7961842916866562,0.7774741278870536,0.5790877081762731
EOS-2-16538,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1-c1ccc(F)cc1,VESVGEGKGYTEKB-UHFFFAOYSA-N,2,1,0.373,69,38,437.438,4.653,6,0.399,0.68,1.0,0.21895346446439587,0.31181036255225825,0.6977417586183263,0.7315297100952642,0.4900088239325612
EOS-2-16539,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)ccn2)s1,RDVZFOUAONYEMT-UHFFFAOYSA-N,2,1,0.488,2,980,437.435,3.87,5,0.412,0.7,1.0,0.7115859091220615,0.5957268179014461,0.587656774724145,0.5461328901377561,0.6102755979713522
EOS-2-16540,Fc1cc(-c2cncnc2)c(F)nc1-c1nnc2cncc(OCCc3cccs3)n12,UDNOAQPOSIJQTB-UHFFFAOYSA-N,2,1,0.5,87,814,437.435,3.605,5,0.375,0.69,0.997,0.8454012747584128,0.7115345075731615,0.4761068466863135,0.4927438146802824,0.6314466109245426
EOS-2-16541,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)nc2F)cs1,NQUJCUFYUAAOMI-UHFFFAOYSA-N,2,1,0.483,46,338,437.435,3.87,5,0.386,0.63,0.997,0.4855561647590981,0.5336337468302378,0.4730141868274964,0.4529247481324104,0.48628221163731067
EOS-2-16542,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)ccn2)s1,DHVLVXRTHSLHHE-UHFFFAOYSA-N,2,1,0.512,24,483,437.435,3.87,5,0.412,0.72,1.0,0.705666164073744,0.6238862997738331,0.5214087451168529,0.543168734151189,0.5985324857789047
EOS-2-16543,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccsc5)cn4)n23)cn1,DGVGCSWGZKUXEJ-UHFFFAOYSA-N,2,1,0.483,7,535,437.435,4.221,5,0.393,0.69,1.0,0.6390069220752519,0.6334812555685011,0.6815931053389076,0.5876910424234117,0.6354430813515182
EOS-2-16544,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)s5)n34)cn2)cn1,VURDJASMYUQOCF-UHFFFAOYSA-N,2,1,0.488,7,85,437.435,3.87,5,0.412,0.62,1.0,0.7331488588856144,0.7482780481118497,0.5652885340278254,0.49275238160509904,0.6348669556575971
EOS-2-16545,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)cn1,KVAIVDMXOPXQGH-UHFFFAOYSA-N,2,1,0.5,27,69,437.435,4.221,5,0.393,0.66,0.995,0.7211123295181961,0.7698752655746693,0.597405935165513,0.5027157151668837,0.6477773113563156
EOS-2-16546,Cc1ccc(-c2ncc(-c3nnc4cncc(OCc5ccns5)n34)c(F)c2F)cn1,VUWYGUFWWFJBFN-UHFFFAOYSA-N,2,1,0.529,55,879,437.435,3.87,5,0.412,0.6,1.0,0.7024535672674936,0.6480278939072031,0.5451648276334727,0.512841820300185,0.6021220272770886
EOS-2-16547,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)nc2F)nc1,NNIYJQVRBCMCTR-UHFFFAOYSA-N,2,1,0.449,18,262,437.435,3.605,5,0.375,0.61,1.0,0.7942738674525393,0.6723836611609897,0.39375299842368583,0.40855664450688783,0.5672417928860257
EOS-2-16548,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cn1,GWABRIPHOVDCDU-UHFFFAOYSA-N,2,1,0.554,27,69,437.435,4.221,5,0.393,0.64,1.0,0.5761342608457268,0.642690699746419,0.7236138715646632,0.6152251387841821,0.6394159927352479
EOS-2-16549,FC(F)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cnsc5)c4)n23)cc1,RLJCJIWFNFHOCN-UHFFFAOYSA-N,2,1,0.53,27,51,437.435,4.221,5,0.393,0.46,1.0,0.8131810705229251,0.6382016311424851,0.8254574737852101,0.7751096566376533,0.7629874580220684
EOS-2-16550,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)cc1,JZSGRHSRJWFCOU-UHFFFAOYSA-N,2,1,0.566,72,51,437.435,4.221,5,0.393,0.66,1.0,0.46802823658419573,0.5064594613117676,0.8026009183743403,0.7446970735384826,0.6304464224521966
EOS-2-16551,FC(F)c1ccc(-c2nnc3cncc(OCc4snnc4-c4ccccc4)n23)cn1,CIGHIFPJLBOXPB-UHFFFAOYSA-N,2,1,0.494,27,700,437.435,4.221,5,0.393,0.6,0.999,0.505439997258584,0.5382770200808717,0.507710232335001,0.5128503872250018,0.5160694092248646
EOS-2-16552,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)cs1,OHTNNYFLVLMPCN-UHFFFAOYSA-N,2,1,0.451,2,422,437.435,3.87,5,0.412,0.7,1.0,0.6631827839078884,0.5476835035295731,0.665127475841272,0.6089455828935645,0.6212348365430745
EOS-2-16553,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)c(F)s5)n34)c2)cn1,NBZHEOYVTPLRBV-UHFFFAOYSA-N,2,1,0.429,51,160,437.435,3.87,5,0.412,0.59,0.996,0.6105818655335481,0.5568758138578576,0.6098194092248647,0.5331454321156878,0.5776056301829895
EOS-2-16554,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncs5)c4)n23)cn1,WDJVRCWUEAIIJG-UHFFFAOYSA-N,2,1,0.524,2,419,437.435,4.221,5,0.393,0.65,1.0,0.6874785826879584,0.6674576793914057,0.7835395106572545,0.6789630594201905,0.7043597080392022
EOS-2-16555,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4csnn4)c3)n12,GJHFWDLKVZXVEF-UHFFFAOYSA-N,2,1,0.56,37,161,437.435,3.605,5,0.401,0.71,1.0,0.6844715920773079,0.6871530395449249,0.6788602563223906,0.6962082790761428,0.6866732917551917
EOS-2-16556,Cc1ncncc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(F)s4)n23)ccn1,LAFYQUIKGVSGMM-UHFFFAOYSA-N,2,1,0.494,7,43,437.435,3.87,5,0.412,0.56,1.0,0.6692824343773559,0.6148310602426154,0.6187290110341992,0.5461414570625728,0.6122459906791858
EOS-2-16557,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)cs1,IDWXGNCQFXHLRX-UHFFFAOYSA-N,2,1,0.43,2,422,437.435,3.87,5,0.386,0.66,1.0,0.6631913508327051,0.5706599958878761,0.6540418751285039,0.5907665684325955,0.6196649475704201
EOS-2-16558,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)cn1,ONZGXIYUJXECHD-UHFFFAOYSA-N,2,1,0.488,27,69,437.435,4.221,5,0.393,0.71,0.998,0.5680727845932424,0.6050047974778974,0.6678003563840724,0.5846926187375779,0.6063926392981975
EOS-2-16559,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)cn4)n23)cn1,IYSQZCFMWJKEGM-UHFFFAOYSA-N,2,1,0.472,51,969,437.435,4.221,5,0.393,0.69,1.0,0.6507007744500034,0.6674662463162223,0.6733945582893565,0.5847011856623946,0.6440656911794942
EOS-2-16560,FC(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5csnn5)c4)n23)cn1,MAHONGDWGVBJBW-UHFFFAOYSA-N,2,1,0.5,27,909,437.435,4.221,5,0.393,0.74,1.0,0.5288362689329038,0.5291618120759373,0.772154067575903,0.6989154273182099,0.6322668939757385
EOS-2-16561,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)ccn2)s1,CNHLNSHZWDRREN-UHFFFAOYSA-N,2,1,0.467,75,43,437.435,3.87,5,0.386,0.66,1.0,0.7389743677609485,0.6238948666986499,0.572005003084093,0.5162086217531355,0.6127707148242066
EOS-2-16562,FC(F)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccccn5)s4)n23)cc1,UJZMPTZKNXJRSX-UHFFFAOYSA-N,2,1,0.529,72,268,437.435,4.221,5,0.393,0.72,1.0,0.6692910013021726,0.6426992666712357,0.5111027345624015,0.5226338153656364,0.5864317044753615
EOS-2-16563,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cscn5)c4)n23)cn1,QIDHBDRSTXDAKG-UHFFFAOYSA-N,2,1,0.489,27,430,437.435,4.221,5,0.393,0.69,1.0,0.7086902885340278,0.6480364608320197,0.7676050304982523,0.6642964841340553,0.6971570659995888
EOS-2-16564,FC(F)c1ccc(-c2nnc3cncc(OCc4csc(-c5cccnc5)n4)n23)cn1,ATFXCZDXBZUDCP-UHFFFAOYSA-N,2,1,0.524,27,69,437.435,4.221,5,0.393,0.68,1.0,0.5566273730381742,0.6577170858748543,0.6006699335206634,0.5128589541498184,0.5819683366458775
EOS-2-16565,FC(F)c1ccc(-c2nnc3cncc(OCc4csc(-c5cnccn5)n4)n23)cc1,UZIXTBOIYDDEAB-UHFFFAOYSA-N,2,1,0.523,27,343,437.435,4.221,5,0.393,0.73,1.0,0.6245459529847166,0.6626602014940717,0.6485076416969364,0.5997104379411966,0.6338560585292303
EOS-2-16566,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cn2)s1,XXVROXRNQLQTLX-UHFFFAOYSA-N,2,1,0.524,59,16,437.435,3.87,5,0.412,0.73,1.0,0.6755020217942568,0.7020509218011103,0.49690734014118293,0.5162171886779522,0.5976693681036256
EOS-2-16567,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCc4ccns4)n23)n1,KBOGLQLQGYJYEV-UHFFFAOYSA-N,2,1,0.449,44,531,437.435,3.87,5,0.412,0.62,1.0,0.5594287574532246,0.5476920704543897,0.4901908710849154,0.5194126516345693,0.5291810876567747
EOS-2-16568,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)cn2)n1,DLDBHAHBRXEIRG-UHFFFAOYSA-N,2,1,0.282,99,286,437.431,1.234,6,0.395,0.63,1.0,0.06571688026865877,0.04228634089507231,0.017228085806318964,0.015394763895552053,0.03515651771640052
EOS-2-16569,FC(F)Oc1ccc(-c2nnc3cncc(Oc4cccc(-c5cncs5)c4)n23)cc1,NKDIBPKFIIDQBO-UHFFFAOYSA-N,2,1,0.765,1,528,437.431,5.309,5,0.359,0.77,1.0,0.912471729148105,0.8956891234322527,0.9293657048865739,0.9009235144952368,0.9096125179905421
EOS-2-16570,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nn5)n34)cc2)n1,YUKWSCCKVUODGY-UHFFFAOYSA-N,2,1,0.296,98,890,437.431,1.234,6,0.395,0.7,1.0,0.09852820231649648,0.06505722705777534,0.01572030703858543,0.013749914330751834,0.04826391268590227
EOS-2-16571,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)nc5)n34)cc2)n[nH]1,NWOOGSWQUAAIBX-UHFFFAOYSA-N,2,1,0.286,98,866,437.431,1.532,6,0.429,0.68,1.0,0.10108114591186347,0.08634603522719485,0.01509492152696868,0.011428277705434857,0.053487595092865464
EOS-2-16572,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)n5)n34)cc2)n1,DTQVMVYRVPBTEB-UHFFFAOYSA-N,2,1,0.307,98,746,437.431,1.234,6,0.395,0.69,1.0,0.0889675142210952,0.065065793982592,0.01321876499211843,0.01270474950311836,0.044989205674731005
EOS-2-16573,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1nccs1,VHOZJXCKSUFIBU-UHFFFAOYSA-N,2,1,0.625,13,209,437.431,4.994,5,0.386,0.8,1.0,0.9468079638133096,0.8230159002124597,0.8685833733123158,0.8067301761359742,0.8612843533685148
EOS-2-16574,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1cscn1,SFDHXGAIHLGIDW-UHFFFAOYSA-N,2,1,0.625,13,209,437.431,4.994,5,0.386,0.78,1.0,0.9531817558769105,0.8189551778493592,0.8983277362757864,0.8488280446850799,0.8798231786717841
EOS-2-16575,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cn(C)nn6)c5)n34)nc2)n1,WKACKRGIGXOGSI-UHFFFAOYSA-N,2,1,0.253,86,421,437.427,2.402,6,0.404,0.62,1.0,0.058666301144541154,0.02689157699952025,0.07861010211774382,0.06739599753272565,0.05789099444863272
EOS-2-16576,c1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)cc1,HJRWLRPGEPQMHC-UHFFFAOYSA-N,2,1,0.732,67,104,437.427,2.131,6,0.415,0.71,1.0,0.24346343636488246,0.25014563772188336,0.1272102666027003,0.13662531697621821,0.1893611644164211
EOS-2-16577,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnon6)nn5C)n34)cc2)cn1,OTHYYOSGLQUOFB-UHFFFAOYSA-N,2,1,0.303,98,882,437.427,2.402,6,0.404,0.72,1.0,0.04281749023370571,0.014058323624151874,0.08573778356521143,0.0854807758207114,0.0570235933109451
EOS-2-16578,COc1cc(-c2cnn(C)c2)ncc1-c1nnc2cncc(-c3nnc4cnccc4n3)n12,NJLFNZXLPPVLRJ-UHFFFAOYSA-N,2,1,0.283,99,286,437.427,1.996,6,0.403,0.63,0.871,0.08646597217462819,0.04948255774107326,0.08811938866424508,0.07683674868069358,0.07522616681516002
EOS-2-16579,c1cnn(-c2ccc(COc3cncc4nnc(-c5cc(-c6cncnc6)n[nH]5)n34)cn2)c1,XQDBTMXHMSWBBZ-UHFFFAOYSA-N,2,1,0.398,55,435,437.427,2.131,6,0.415,0.61,1.0,0.1551555753546707,0.016911109588102255,0.19319272154067577,0.15369919813583716,0.12973965115482144
EOS-2-16580,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)n5C)n34)nc2)no1,HVVPWXIQNVERDJ-UHFFFAOYSA-N,2,1,0.296,8,754,437.427,2.402,6,0.404,0.77,1.0,0.05702145157974094,0.04949112466588993,0.017236652731135633,0.018238982934685764,0.03549705297786307
EOS-2-16581,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nn5)n34)cc2)o1,JXVNIPAIYLQGOV-UHFFFAOYSA-N,2,1,0.293,98,63,437.427,2.402,6,0.404,0.67,1.0,0.14660578438763622,0.09243711877184566,0.05039921869645672,0.05105030498252347,0.08512310670961551
EOS-2-16582,OCc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cc[nH]n6)nc5)n34)cc2)n[nH]1,IGKSEHVHHCASIN-UHFFFAOYSA-N,2,1,0.268,98,7,437.427,1.916,6,0.366,0.56,1.0,0.19960078130354328,0.17395140840243986,0.11620176821328217,0.10976800767596463,0.1498804913988075
EOS-2-16583,CCn1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)nn1,VDDSCMYPTIQBNK-UHFFFAOYSA-N,2,1,0.279,98,882,437.427,2.577,6,0.395,0.59,0.974,0.050210746350490026,0.0494996915907066,0.04519909533273936,0.062487149612774996,0.051849170721677745
EOS-2-16584,Cn1nc(-c2nn[nH]n2)cc1-c1cncc2nnc(-c3ccc(-c4ccc(O)cc4)cn3)n12,PWYKUSUKKFYIDN-UHFFFAOYSA-N,2,1,0.252,98,813,437.427,2.139,6,0.423,0.66,0.994,0.07762490576382702,0.072441916249743,0.11621033513809882,0.1463659104927695,0.10316076691110959
EOS-2-16585,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)nc5)n34)cc2)no1,QRDLOXDVPNQIEA-UHFFFAOYSA-N,2,1,0.3,98,213,437.427,2.402,6,0.404,0.79,1.0,0.09853676924131313,0.10195497224316359,0.04356281269275581,0.0457216777465561,0.07244405798094716
EOS-2-16586,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5nc(-n6cccn6)ncc5C)n34)c2)o1,UWUCFSKGUPSQKD-UHFFFAOYSA-N,2,1,0.243,86,719,437.427,2.496,6,0.404,0.63,1.0,0.011796655472551572,0.006348091289150847,0.023610444794736483,0.01939551778493592,0.015287677335343707
EOS-2-16587,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)c1,BIBOYGJLRICXQM-UHFFFAOYSA-N,2,1,0.457,56,425,437.427,2.131,6,0.415,0.63,1.0,0.32545747378521006,0.21437872661229526,0.1245459529847166,0.10745493797546432,0.19295927283942158
EOS-2-16588,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cn(C)nn6)n5)n34)cc2)o1,LPWUQIOFGFZUDW-UHFFFAOYSA-N,2,1,0.275,98,303,437.427,2.402,6,0.404,0.71,0.998,0.055076759646357346,0.06865533548077582,0.06374648756082517,0.062495716537591665,0.0624935748063875
EOS-2-16589,c1cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)nc(-n2cccn2)c1,ABNIVTXUHYTNBL-UHFFFAOYSA-N,2,1,0.478,56,499,437.427,2.131,6,0.415,0.62,1.0,0.30767253786580767,0.21438729353711192,0.14524364334178602,0.12589952710575011,0.19830075046261392
EOS-2-16590,c1ncn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cn[nH]c6)nc5)n34)cn2)n1,BKCQKEBQVMFHIL-UHFFFAOYSA-N,2,1,0.429,55,283,437.427,2.131,6,0.415,0.64,0.998,0.33552361044479473,0.21943321225412926,0.23915427318209856,0.18612500856692482,0.24505902611198685
EOS-2-16591,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6n[nH]c(=N)o6)cc5)n34)c2)n1,ICIPEOAVTCCARA-UHFFFAOYSA-N,2,1,0.304,25,508,437.427,2.111,6,0.425,0.58,1.0,0.10108971283668014,0.07599719004866014,0.11315194297854841,0.10332568021383044,0.09839113151942978
EOS-2-16592,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)c1,OYYSUZSTKIWLEJ-UHFFFAOYSA-N,2,1,0.506,56,932,437.427,2.131,6,0.415,0.65,1.0,0.29200363237612226,0.2247704064149133,0.20019189911589336,0.16700363237612226,0.22099239257076278
EOS-2-16593,c1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)n2)cc1,KKFCGZMOFVKLLZ-UHFFFAOYSA-N,2,1,0.373,6,288,437.427,2.131,6,0.415,0.54,0.998,0.23555616475909807,0.2602032074566514,0.05040778562127339,0.05946302515249126,0.15140754574737852
EOS-2-16594,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnn(C)n6)cnn5)n34)cc2)o1,VWKGUBXDEDWIQG-UHFFFAOYSA-N,2,1,0.278,98,303,437.427,2.402,6,0.404,0.69,1.0,0.12192447399081625,0.09580392022479611,0.07632273319169351,0.07496059214584333,0.0922529298882873
EOS-2-16595,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cn5)n34)[nH]2)nc1,ZTTUKOHWVVJOGL-UHFFFAOYSA-N,2,1,0.346,6,242,437.427,2.335,6,0.4,0.58,1.0,0.3864111438558015,0.2966983071756562,0.14233945582893565,0.11231238434651497,0.2344403228017271
EOS-2-16596,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)cn2)cn1,WKGVHEACNGHEGZ-UHFFFAOYSA-N,2,1,0.394,6,549,437.427,2.559,6,0.431,0.55,1.0,0.28096086628743744,0.2552943595367007,0.22818860941676375,0.1779007607429237,0.23558614899595642
EOS-2-16597,COc1cc(C#N)ccc1-c1nnc2cncc(OCc3cncc(-c4cncnc4)n3)n12,IEIHSLRZVQDJLX-UHFFFAOYSA-N,2,1,0.423,7,408,437.423,2.498,5,0.389,0.73,1.0,0.4608063189637448,0.36997978205743265,0.4555633609759441,0.33533513809882803,0.4054211500239874
EOS-2-16598,c1cc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)cc(-c2nnco2)c1,IHBKTDVFPIKSBQ-UHFFFAOYSA-N,2,1,0.506,77,323,437.423,3.205,6,0.417,0.64,1.0,0.562204441093825,0.4306764443835241,0.422760605852923,0.3706308683434994,0.4465680899184428
EOS-2-16599,c1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)nc1,JQLCUYKYMAXALJ-UHFFFAOYSA-N,2,1,0.479,40,763,437.423,3.205,6,0.417,0.63,1.0,0.440014392433692,0.44404941402234255,0.1482849016517031,0.15370776506065384,0.29651411829209784
EOS-2-16600,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,REKVUKRUGKEOEV-UHFFFAOYSA-N,2,1,0.367,9,7,437.423,3.302,6,0.431,0.59,1.0,0.35877424439723116,0.13506613665958467,0.359990747721198,0.27960729216640395,0.28335960523610443
EOS-2-16601,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)c(C)c2)o1,ZCLPPBUWOUSWHK-UHFFFAOYSA-N,2,1,0.264,98,424,437.423,3.57,6,0.403,0.7,1.0,0.11682715372489891,0.07245048317455965,0.1702419299568227,0.13898978822561853,0.12462733877047495
EOS-2-16602,COc1ncncc1-c1ccnc(-c2nnc3cncc(OCc4ccnc(C#N)c4)n23)c1,RXKHWBSLJUGRHR-UHFFFAOYSA-N,2,1,0.347,18,160,437.423,2.498,5,0.389,0.66,1.0,0.48556473168391473,0.3118189294770749,0.41133232814748816,0.27068912343225277,0.36985127818518265
EOS-2-16603,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4)n23)cc1,UNYQALPAZFRHCH-UHFFFAOYSA-N,2,1,0.506,67,722,437.423,3.429,6,0.399,0.71,1.0,0.4329381125351244,0.27599204989377013,0.29731512576245633,0.2587125625385512,0.3162394626824755
EOS-2-16604,c1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)cc1,VRYLDFKMRFCGHI-UHFFFAOYSA-N,2,1,0.714,77,104,437.423,3.001,6,0.387,0.66,1.0,0.17685559591529024,0.18230416009869096,0.21078918511411143,0.20602597491604413,0.1939937290110342
EOS-2-16605,c1cc(COc2cncc3nnc(-c4ccc(-c5ccon5)cc4)n23)nc(-n2ccnn2)c1,JYQRBOYTHHTVMD-UHFFFAOYSA-N,2,1,0.5,40,120,437.423,3.001,6,0.387,0.7,1.0,0.2272205469124803,0.19076828181755878,0.25679357137961756,0.22946508121444725,0.22606187033102598
EOS-2-16606,COc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4c[nH]nn4)nc3)n12,CRRFHNNWYZQIJM-UHFFFAOYSA-N,2,1,0.303,42,727,437.423,3.302,6,0.431,0.61,0.994,0.29487355218970596,0.1617007059146049,0.41134089507230487,0.32870433829072715,0.29915487286683573
EOS-2-16607,c1cc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)nc(-c2cn[nH]c2)c1,GDPIMLLJFDJXPP-UHFFFAOYSA-N,2,1,0.439,6,667,437.423,3.205,6,0.417,0.64,1.0,0.41689226235350557,0.3840723733808512,0.3265112055376602,0.26802480981426907,0.3488751627715715
EOS-2-16608,c1cncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)no2)c1,DDIHXROOGVNIBE-UHFFFAOYSA-N,2,1,0.406,40,763,437.423,3.205,6,0.417,0.58,1.0,0.5029470221369338,0.43068501130834075,0.20020046604071004,0.1944092248646426,0.33206043108765676
EOS-2-16609,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2)n[nH]1,MZPNOUXPELDQDL-UHFFFAOYSA-N,2,1,0.489,81,763,437.423,3.205,6,0.417,0.57,1.0,0.4680368035090124,0.41734630936878897,0.3448187238708793,0.2913268453156055,0.38038217051607154
EOS-2-16610,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4)n23)nc1,FANHSLLJWNYRDD-UHFFFAOYSA-N,2,1,0.374,6,870,437.423,3.429,6,0.399,0.64,1.0,0.3587828113220478,0.16940237132478925,0.33416146939894453,0.2706976903570694,0.2832610856007128
EOS-2-16611,c1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnco6)c5)n34)cc2)n[nH]1,KBOLIIWWNCLTTL-UHFFFAOYSA-N,2,1,0.506,40,78,437.423,3.205,6,0.417,0.67,1.0,0.6021948461380303,0.3650023987389487,0.41883695428688916,0.3385134672058118,0.43113691659242
EOS-2-16612,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)nn2)o1,BIHOBPQDEYBKKN-UHFFFAOYSA-N,2,1,0.365,67,622,437.423,3.727,6,0.428,0.54,0.997,0.495331025974916,0.3699883489822493,0.3411263792748955,0.27661743540538686,0.3707657974093619
EOS-2-16613,c1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc(-c2cnco2)n1,ROWWEHXDIIBGMA-UHFFFAOYSA-N,2,1,0.474,40,763,437.423,3.205,6,0.417,0.62,1.0,0.5080100747035844,0.4032708518950038,0.2605972859982181,0.2232026591734631,0.34877021794256735
EOS-2-16614,c1ncn(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)cn5)n34)cc2)n1,MBJBGQDXASRQAB-UHFFFAOYSA-N,2,1,0.522,40,932,437.423,3.001,6,0.387,0.64,1.0,0.30529093276677405,0.19077684874237544,0.35633267082448083,0.28546706874100475,0.2844668802686588
EOS-2-16615,c1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc(-c2nnco2)n1,CLBISZPJQAOENZ-UHFFFAOYSA-N,2,1,0.441,81,763,437.423,3.205,6,0.417,0.59,1.0,0.6358885614419848,0.43962888081694196,0.34482729079569596,0.29754643273250636,0.4294727914467823
EOS-2-16616,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnco6)cn5)n34)cc2)n[nH]1,PGUOFFMURMHBSF-UHFFFAOYSA-N,2,1,0.447,40,763,437.423,3.205,6,0.417,0.63,1.0,0.4978497018710164,0.39848194092248646,0.3265197724624769,0.27662600233020357,0.37486935439654584
EOS-2-16617,Cn1nc(-c2nnco2)cc1Oc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,YCDSFDKDQWFAIO-UHFFFAOYSA-N,2,1,0.392,81,622,437.423,3.429,6,0.399,0.72,1.0,0.35407100267288055,0.20952984716606127,0.1966451922417929,0.1779093276677404,0.23453884243711876
EOS-2-16618,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncco6)nc5)n34)nc2)c1,CKQWHQBBNBMLOM-UHFFFAOYSA-N,2,1,0.494,6,547,437.423,3.001,6,0.387,0.53,1.0,0.23556473168391473,0.1907854156671921,0.2318552532382976,0.17791789459255705,0.20903082379549037
EOS-2-16619,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnno6)cn5)n34)cc2)cn1,ZUUIGVNDIYYONK-UHFFFAOYSA-N,2,1,0.405,6,870,437.423,3.429,6,0.399,0.66,1.0,0.28376225070248784,0.15768281817558769,0.4081282982660544,0.3415718593653622,0.29778630662737304
EOS-2-16620,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1,KLDDJAZJWPVSAO-UHFFFAOYSA-N,2,1,0.385,40,622,437.423,3.429,6,0.399,0.67,1.0,0.4470050030840929,0.2707490919059694,0.27898190665478717,0.2060345418408608,0.3006926358714276
EOS-2-16621,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnoc6)cn5)n34)cc2)n[nH]1,VPCFXPHJOQEBJI-UHFFFAOYSA-N,2,1,0.447,40,763,437.423,3.205,6,0.417,0.53,1.0,0.5005054485641834,0.3890497566993352,0.3563412377492975,0.30380028784867386,0.38742418271537254
EOS-2-16622,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)no1,ANITUPLPTNDYSN-UHFFFAOYSA-N,2,1,0.406,67,622,437.423,3.429,6,0.399,0.71,1.0,0.3204972243163594,0.23460523610444795,0.18324652182852444,0.18087348365430744,0.2298056164759098
EOS-2-16623,c1ccc(-c2nnco2)c(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1,WEQADIPODFIKOH-UHFFFAOYSA-N,2,1,0.494,77,245,437.423,3.205,6,0.417,0.57,1.0,0.5622130080186416,0.4306935782331574,0.3753255431430334,0.3415804262901789,0.4274531389212528
EOS-2-16624,COc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)o1,JXNAVOHTSKZOCG-UHFFFAOYSA-N,2,1,0.322,38,787,437.423,3.302,6,0.431,0.61,1.0,0.43771845658282504,0.3168991158933589,0.22447056404632992,0.18354636419710782,0.2906586251799054
EOS-2-16625,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(C#N)c5)n34)cn2)cc1=O,MDMKPVPRWFEYQW-UHFFFAOYSA-N,2,1,0.43,55,600,437.423,1.793,5,0.403,0.74,1.0,0.4377270235076417,0.30668734151189087,0.37918922623535056,0.31641936810362553,0.36000573983962714
EOS-2-16626,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(Oc3ccc(-c4nnco4)cn3)n12,ZFHLQYLERSCXPY-UHFFFAOYSA-N,2,1,0.308,81,622,437.423,3.429,6,0.399,0.6,1.0,0.24635905695291618,0.12833253375368378,0.1423480227537523,0.14132855870056885,0.16459204304023028
EOS-2-16627,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(C#N)c5)n34)cn2)cn1,NJUFBDGQHMYUTG-UHFFFAOYSA-N,2,1,0.46,55,879,437.423,2.498,5,0.389,0.7,1.0,0.6692995682269892,0.5199952025221026,0.4151617435405387,0.2854756356658214,0.47248303748886306
EOS-2-16628,c1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc(-c2nnco2)c1,GKAVXVWURVFZOR-UHFFFAOYSA-N,2,1,0.5,77,611,437.423,3.205,6,0.417,0.66,1.0,0.6390154890000685,0.4307021451579741,0.37533411006785006,0.31334384209444177,0.43959889658008366
EOS-2-16629,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)cc2)cn1,QTVOQTPTDQGXCH-UHFFFAOYSA-N,2,1,0.448,67,870,437.423,3.429,6,0.399,0.61,1.0,0.372447056404633,0.2863066273730382,0.35999931464601465,0.28548420259063806,0.326059300253581
EOS-2-16630,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5)n34)cn2)cn1,APGNENPRNXIWLH-UHFFFAOYSA-N,2,1,0.442,71,870,437.423,3.429,6,0.399,0.69,1.0,0.3402782537180454,0.21944177917894592,0.3563498046741142,0.282597148927421,0.29966674662463166
EOS-2-16631,c1cnn(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)c1,HQPDFGMXMQKSJT-UHFFFAOYSA-N,2,1,0.456,40,355,437.423,3.001,6,0.387,0.62,1.0,0.3052994996915907,0.2298248920567473,0.2568021383044342,0.22321122609827976,0.253784439037763
EOS-2-16632,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nc5)n34)cc2)n[nH]1,ATBKUKKBXNNRBW-UHFFFAOYSA-N,2,1,0.5,81,763,437.423,3.205,6,0.417,0.55,1.0,0.6507093413748201,0.40793125899527105,0.34113494619971213,0.2913354122404222,0.42277773970255633
EOS-2-16633,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)no2)cc1,PTUPIQUETWAJAH-UHFFFAOYSA-N,2,1,0.449,40,611,437.423,3.205,6,0.417,0.6,1.0,0.5235162086217532,0.38408094030566786,0.15758858200260434,0.15647488177643754,0.3054151531766157
EOS-2-16634,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(C#N)n5)n34)cn2)ccc1=O,SFCMFPOXAWZDIX-UHFFFAOYSA-N,2,1,0.423,4,617,437.423,1.793,5,0.403,0.59,0.387,0.3772616681516003,0.31182749640189156,0.2140531834692619,0.16977931601672264,0.2682304160098691
EOS-2-16635,COc1nnc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cc[nH]n6)c5)n34)cc2)o1,ZJLLWOVONJFKRG-UHFFFAOYSA-N,2,1,0.308,9,725,437.423,3.302,6,0.431,0.58,1.0,0.46321362483722844,0.34600095949557946,0.27548660132958674,0.22039270783359605,0.3262734733739977
EOS-2-16636,c1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)no2)ccn1,NALLIRJWDVEAFC-UHFFFAOYSA-N,2,1,0.429,40,763,437.423,3.205,6,0.417,0.59,1.0,0.47827427866493044,0.40327941881982043,0.21406175039407854,0.2030532520046604,0.32466717497087244
EOS-2-16637,O=c1ccccn1-c1ccc(COc2cncc3nnc(-c4cnc5ccccn45)n23)nn1,OCCPXODZWQXCCL-UHFFFAOYSA-N,2,1,0.36,6,826,437.423,1.959,6,0.402,0.58,1.0,0.11932869577136591,0.04596155164142279,0.12455451990953327,0.1537163319854705,0.1108902748269481
EOS-2-16638,c1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cn5)n34)nc2)c1,ZJOBWBYBYDVCKW-UHFFFAOYSA-N,2,1,0.429,6,547,437.423,3.001,6,0.387,0.67,0.998,0.16051847028990474,0.1177866493043657,0.2754951682544034,0.23824617915153176,0.1980116167500514
EOS-2-16639,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)c1O,ZDDJCZISYCXTCT-UHFFFAOYSA-N,2,1,0.282,38,725,437.423,3.009,6,0.442,0.47,1.0,0.1605270372147214,0.0987338085120965,0.2935285449934891,0.23519635391679802,0.19699643615927626
EOS-2-16640,COc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)n2)nn1,KCUPUAXMZZMXNM-UHFFFAOYSA-N,2,1,0.518,89,731,437.423,2.498,5,0.389,0.7,1.0,0.687487149612775,0.6531423480227537,0.2677849359194024,0.21205708998697828,0.45511788088547733
EOS-2-16641,c1cnc(-c2ncco2)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,MLHHSJAGGQTMIJ-UHFFFAOYSA-N,2,1,0.461,40,425,437.423,3.205,6,0.417,0.62,1.0,0.6163559728599822,0.39359022685216916,0.22819717634158043,0.18906346377904187,0.35680170995819344
EOS-2-16642,c1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)no2)cn1,TUWJAVVXUMWSHS-UHFFFAOYSA-N,2,1,0.457,40,763,437.423,3.205,6,0.417,0.6,1.0,0.47054691248029606,0.3935987937769858,0.3007418956891234,0.26484648070728534,0.3574335206634227
EOS-2-16643,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5nncs5)n34)ccn2)nc1F,LLABQSOFGHCUMU-UHFFFAOYSA-N,2,1,0.467,7,99,437.42,1.705,5,0.418,0.66,1.0,0.4756956342951134,0.45713967514221093,0.07426667123569324,0.08031492015626071,0.27185422520731956
EOS-2-16644,c1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)co1,VYPUVPNDYMTXIV-UHFFFAOYSA-N,2,1,0.573,41,592,437.419,4.075,6,0.38,0.66,1.0,0.4805359468165307,0.41267733534370504,0.5315005825508875,0.4400743609074087,0.466197056404633
EOS-2-16645,c1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cc2)c1,NDNKTDDPMCPRGK-UHFFFAOYSA-N,2,1,0.568,40,120,437.419,4.075,6,0.38,0.73,1.0,0.6358971283668015,0.369996915907066,0.4447947364813926,0.3991587279830032,0.4624618771845659
EOS-2-16646,c1ccc(-c2nocc2COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,XHEVIEUYINNYSD-UHFFFAOYSA-N,2,1,0.494,77,323,437.419,4.075,6,0.38,0.63,1.0,0.5310636693852375,0.3407751353574121,0.4046501267904873,0.3740662051949832,0.41263878418203004
EOS-2-16647,c1coc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cocn6)n5)n34)cc2)c1,PBZNNWCMAPLXPB-UHFFFAOYSA-N,2,1,0.477,28,120,437.419,4.075,6,0.38,0.71,1.0,0.4830460557878144,0.36501096566376534,0.4113494619971215,0.37735590432458366,0.40919059694332127
EOS-2-16648,c1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc(-c2ccco2)c1,ZVUANBQSNQZZBT-UHFFFAOYSA-N,2,1,0.523,81,609,437.419,4.075,6,0.38,0.72,1.0,0.4585189500376945,0.35059283119731344,0.40465869371530394,0.34158899321499553,0.38883986704132684
EOS-2-16649,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cn3)n12,XWJADQGRBVSZLY-UHFFFAOYSA-N,2,1,0.293,32,179,437.419,4.172,6,0.391,0.65,0.992,0.2837708176273045,0.08635460215201152,0.47302275375231306,0.3866595846754849,0.3074519395517785
EOS-2-16650,c1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)co1,WSLGDIITZZBLGT-UHFFFAOYSA-N,2,1,0.487,41,518,437.419,4.075,6,0.38,0.67,1.0,0.6216931670207663,0.4440579809471592,0.4730313206771297,0.4118292097868549,0.4876529196079775
EOS-2-16651,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnoc6)nc5)n34)cc2)o1,CUHGVPUVJIQSGO-UHFFFAOYSA-N,2,1,0.57,41,78,437.419,4.075,6,0.38,0.65,1.0,0.6078661503666644,0.365019532588582,0.5876653416489617,0.4897796586937153,0.5125826708244808
EOS-2-16652,c1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cnco6)n5)n34)cc2)cc1,JWSWTTGTACQEDQ-UHFFFAOYSA-N,2,1,0.482,12,285,437.419,4.075,6,0.38,0.75,1.0,0.4929494208758824,0.3890583236241519,0.2789904735796039,0.3133524090192584,0.36858765677472416
EOS-2-16653,c1cncc(-c2noc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)c1,RKXWSUAWVKTOQK-UHFFFAOYSA-N,2,1,0.467,40,25,437.419,4.075,6,0.38,0.77,1.0,0.43773559043245835,0.3984905078473031,0.297323692687273,0.297554999657323,0.35777619765608937
EOS-2-16654,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)cn4)n23)cn1,ZSZXCJDJBFLKGN-UHFFFAOYSA-N,2,1,0.417,31,569,437.414,2.8,5,0.386,0.58,0.999,0.4632221917620451,0.37000548283188267,0.5284250565417038,0.41804879720375576,0.4449253820848468
EOS-2-16655,Cn1cnc(-c2nn(C)cc2COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)n1,ZBUPKRDDVKXKNM-UHFFFAOYSA-N,2,1,0.5,36,51,437.414,2.837,5,0.403,0.69,1.0,0.4238743060790898,0.3984990747721198,0.3753426769926667,0.33207113974367763,0.3824467993968885
EOS-2-16656,Cn1cnnc1CCOc1cncc2nnc(-c3cc(-c4ccc(F)c(F)c4)n(C)n3)n12,GNFDQYKHYMEOGT-UHFFFAOYSA-N,2,1,0.452,95,998,437.414,2.22,5,0.401,0.72,1.0,0.377270235076417,0.3218764992118429,0.18980021931327531,0.24663319854704954,0.28389503803714616
EOS-2-16657,Cc1nn(C)cc1-c1nc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)n(C)n1,BHLBCEQQFODKRN-UHFFFAOYSA-N,2,1,0.53,36,404,437.414,2.486,5,0.416,0.68,0.999,0.4805445137413474,0.5616561579055582,0.1394010006168186,0.16187204441093825,0.33586842916866566
EOS-2-16658,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc6ccc(F)cc6n5)n34)cc2)nc1,WPIVOBXMEDDOSD-UHFFFAOYSA-N,2,1,0.346,3,192,437.413,4.742,6,0.398,0.77,1.0,0.3280361181550271,0.4832859296826811,0.8219793023096429,0.8688660818312659,0.6255418579946542
EOS-2-16659,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)o2)n1C,FHYSTCREJYKKQA-UHFFFAOYSA-N,2,1,0.612,31,308,437.41,3.388,5,0.402,0.74,0.997,0.4680453704338291,0.22477897333972996,0.3638715646631485,0.3773644712494003,0.358515094921527
EOS-2-16660,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(F)c5)n34)nn2C)o1,URCDLWIGJUIAOC-UHFFFAOYSA-N,2,1,0.511,95,998,437.41,3.388,5,0.402,0.69,1.0,0.3885700089096018,0.23461380302926463,0.4659379069289288,0.44008292783222536,0.3823011616750051
EOS-2-16661,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)o1,VERBKPOZTKUIMQ-UHFFFAOYSA-N,2,1,0.529,89,51,437.406,5.173,5,0.362,0.72,1.0,0.6963710506476595,0.605013364402714,0.8045798780069906,0.682072853128641,0.6970092865465013
EOS-2-16662,Fc1ccc(-c2ccnc(-c3nnc4cncc(-c5cnc(-c6nn[nH]n6)cn5)n34)c2)cc1,PEABXZGIPDEFFF-UHFFFAOYSA-N,2,1,0.309,39,72,437.402,2.63,6,0.441,0.67,0.858,0.22992769515454733,0.31183606332670827,0.27550373517922006,0.38343842094441777,0.3001764786512233
EOS-2-16663,Fc1cc(-c2nnc3cncc(-c4cnc(-c5cncnc5)nc4)n23)ccc1-c1nc[nH]n1,IXTXIAPJRSSBJI-UHFFFAOYSA-N,2,1,0.318,94,761,437.402,2.63,6,0.441,0.66,1.0,0.31557124254677543,0.3700140497566993,0.3448358577205126,0.3611901171955315,0.3479028168048798
EOS-2-16664,Fc1cc(-c2cncc3nnc(-c4cnc(-c5ccnnc5)nc4)n23)ccc1-c1nc[nH]n1,AKZMAZVWOZLNQK-UHFFFAOYSA-N,2,1,0.287,42,780,437.402,2.63,6,0.441,0.64,1.0,0.27034644643958605,0.3263484339661435,0.33020355013364405,0.36765814543211567,0.3236391439928723
EOS-2-16665,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)nn1,YRSXWTMIXPYIPJ-UHFFFAOYSA-N,2,1,0.325,98,167,437.402,2.63,6,0.441,0.59,1.0,0.24347200328969912,0.2916695223082722,0.27124597354533614,0.2944366390240559,0.2752060345418409
EOS-2-16666,Fc1nccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)cn2)n1,LFBJWMUTYJWDTD-UHFFFAOYSA-N,2,1,0.277,86,151,437.402,2.425,6,0.382,0.62,0.336,0.005251524912617367,0.11479679254334864,0.23916284010691521,0.2527756836406004,0.15299671030087042
EOS-2-16667,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,ZNMAPWLRAHWCLI-UHFFFAOYSA-N,2,1,0.361,86,167,437.402,2.63,6,0.441,0.64,1.0,0.19960934822835993,0.3066959084367076,0.28644369817010484,0.30063909259132343,0.27334701185662397
EOS-2-16668,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3cnnc(-c4ccccn4)n3)n12,FYOOXJVPTHUBEX-UHFFFAOYSA-N,2,1,0.307,10,154,437.402,2.63,6,0.441,0.66,0.888,0.24102186279213214,0.3506013981221301,0.22116373106709616,0.2796158590912206,0.27310071276814474
EOS-2-16669,Fc1cncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,UINSLZBYKHCGIR-UHFFFAOYSA-N,2,1,0.298,98,154,437.402,2.63,6,0.441,0.67,1.0,0.25967205811801797,0.2967068741004729,0.2755123021040367,0.3287129052155438,0.2901510348845178
EOS-2-16670,Fc1cccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)n1,IGMFLTBGXZTOAQ-UHFFFAOYSA-N,2,1,0.28,76,557,437.402,2.63,6,0.413,0.64,0.938,0.2623449386608183,0.2967154410252896,0.17371153450757315,0.20604310876567747,0.23470375573983962
EOS-2-16671,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3cnnc(-c4nc[nH]n4)c3)n12,AETJXDQGDRJLEP-UHFFFAOYSA-N,2,1,0.295,42,608,437.402,2.63,6,0.441,0.55,1.0,0.26235350558563497,0.35060996504694675,0.28285415667192104,0.3193406894661092,0.303789579192653
EOS-2-16672,Fc1cc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cncnc6)cn5)n34)cn2)ccn1,QQSZTCCEVGRRMT-UHFFFAOYSA-N,2,1,0.25,86,249,437.402,2.425,6,0.382,0.62,1.0,0.0003512439174833802,0.07245905009937632,0.33739976697964497,0.3513724213556302,0.19039562058803372
EOS-2-16673,Fc1cc(-c2cncc3nnc(-c4cnc(-c5ccnnc5)cn4)n23)ccc1-c1ncco1,GPNUYIDPYUYAKA-UHFFFAOYSA-N,2,1,0.28,70,72,437.398,3.499,6,0.408,0.61,1.0,0.29488211911452267,0.2760006168185868,0.479910561304914,0.4959906791857995,0.38669599410595573
EOS-2-16674,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(-c3ccnc(-c4ccncc4)n3)n12,WKVLHXVOUHRMEU-UHFFFAOYSA-N,2,1,0.365,42,608,437.398,3.499,6,0.408,0.68,1.0,0.3907631416626688,0.38906689054896854,0.4113580289219382,0.42783222534439036,0.4047550716194914
EOS-2-16675,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccco6)nc5)n34)nc2)nc1,HRWSGBHHAAALIH-UHFFFAOYSA-N,2,1,0.305,86,459,437.398,3.499,6,0.408,0.72,1.0,0.32804468507984375,0.29672400795010623,0.27899904050442054,0.3006476595161401,0.30110384826262765
EOS-2-16676,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)o2)c1,NDOQOHWTHVICSU-UHFFFAOYSA-N,2,1,0.318,94,170,437.398,3.499,6,0.408,0.74,0.893,0.1828010417380577,0.2808751970392708,0.3791977931601672,0.4466880268658762,0.32239051470084296
EOS-2-16677,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cccnc3-c3cnccn3)n12,QTSRTMJQQYOQOE-UHFFFAOYSA-N,2,1,0.313,42,596,437.398,3.499,6,0.408,0.6,1.0,0.28377938455212115,0.3460095264203961,0.4227691727777397,0.45293331505722706,0.37637284970187096
EOS-2-16678,Fc1ccnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)n2)c1,WOCBHCFKILDJDP-UHFFFAOYSA-N,2,1,0.329,42,186,437.398,3.499,6,0.408,0.71,0.998,0.2542491947090672,0.30670447536152423,0.40103488451785346,0.46546672606401207,0.35686382016311424
EOS-2-16679,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)ccc1-c1cncnc1,YKOZFZPVLFKDBY-UHFFFAOYSA-N,2,1,0.333,94,170,437.398,3.499,6,0.408,0.66,1.0,0.3280532520046604,0.3840895072304846,0.5652971009526421,0.5720735384826263,0.46237834966760333
EOS-2-16680,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cc2)nc1,XAPLMFBUFCFEQA-UHFFFAOYSA-N,2,1,0.333,38,725,437.398,3.499,6,0.408,0.69,1.0,0.33067473099856076,0.3263570008909602,0.4010434514426701,0.40509560688095403,0.36579269755328625
EOS-2-16681,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)nc1,IXMMWKXLRVLRHY-UHFFFAOYSA-N,2,1,0.356,42,977,437.398,3.499,6,0.408,0.74,1.0,0.35633267082448083,0.33105167569049415,0.3827702008087177,0.38666815160030155,0.3642056747309985
EOS-2-16682,Fc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)ncn2)ccn1,OORZXDPTFQRZGX-UHFFFAOYSA-N,2,1,0.305,38,787,437.398,3.499,6,0.381,0.59,1.0,0.2948906860393393,0.32188506613665957,0.5214173120416695,0.5027242820917004,0.4102293365773422
EOS-2-16683,Fc1cc(-c2cnco2)ccc1-c1nnc2cncc(-c3cnnc(-c4ccccn4)n3)n12,CHYDAUXMVXQJCB-UHFFFAOYSA-N,2,1,0.329,42,186,437.398,3.499,6,0.408,0.68,0.456,0.31812418614214244,0.4079398259200877,0.38636830923171817,0.440091494757042,0.3881309540127476
EOS-2-16684,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cnco5)cn4)n23)cnc1-c1cncnc1,RXBIQEVPFSDLMJ-UHFFFAOYSA-N,2,1,0.312,94,165,437.398,3.499,6,0.408,0.69,1.0,0.34028682064286203,0.38409807415530123,0.5004369131656501,0.49894626824754984,0.4309420190528408
EOS-2-16685,Cn1nc(-c2cnc(F)c(C#N)c2)cc1Oc1cncc2nnc(-c3ccc(C#N)cc3)n12,FLCGXOBTUXSNJE-UHFFFAOYSA-N,2,1,0.461,89,706,437.398,3.262,5,0.392,0.75,1.0,0.7056747309985607,0.7206240148036461,0.7835480775820711,0.7182252758549791,0.7320180248098143
EOS-2-16686,Fc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3cnc(-c4cncnc4)cn3)n12,VSHUSCQLBBDDHF-UHFFFAOYSA-N,2,1,0.288,94,165,437.398,3.499,6,0.408,0.63,0.993,0.3000479747789733,0.36034199163868136,0.5486258652594065,0.5591374820094579,0.44203832842162977
EOS-2-16687,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)cn2)nn1,OIQAJQYLAJWTRO-UHFFFAOYSA-N,2,1,0.325,32,191,437.398,3.499,6,0.408,0.63,0.999,0.2892793502844219,0.2707576588307861,0.4081368651908711,0.4180573641285724,0.3465578096086629
EOS-2-16688,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,SSLPGCXYFHNLNB-UHFFFAOYSA-N,2,1,0.309,30,498,437.398,3.499,6,0.408,0.63,1.0,0.22435919402371324,0.2916780892330889,0.34114351312452884,0.44327839078884246,0.32511479679254335
EOS-2-16689,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnc4)nc3)n12,WLFOUEFIPTZZGE-UHFFFAOYSA-N,2,1,0.333,94,615,437.398,3.499,6,0.408,0.71,1.0,0.3076811047906244,0.39360736070180247,0.5653056678774587,0.5525238160509903,0.454779487355219
EOS-2-16690,Fc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccno6)nc5)n34)cn2)n1,XRHXCIGDHOFKLI-UHFFFAOYSA-N,2,1,0.338,70,443,437.398,3.499,6,0.381,0.64,1.0,0.28378795147693786,0.3118446302515249,0.3863768761565349,0.4051041738057707,0.3467784079226921
EOS-2-16691,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc(F)[nH]n5)c(F)c4)n23)cn1,DWBZSXZDXSHKCF-UHFFFAOYSA-N,2,1,0.575,88,669,437.385,3.615,5,0.408,0.65,1.0,0.9138938386676718,0.8932047152354191,0.8508498389418134,0.8394986635597286,0.8743617641011583
EOS-2-16692,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,SSXFFVZOFQVRMG-UHFFFAOYSA-N,2,1,0.577,1,138,437.385,4.174,5,0.444,0.75,1.0,0.9443149886916592,0.7527071482420671,0.9741792886025632,0.9337862380919745,0.901246915907066
EOS-2-16693,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)c(F)c2)n1,MTAHORWGCDGYOI-UHFFFAOYSA-N,2,1,0.524,34,607,437.385,3.583,5,0.418,0.7,1.0,0.7024621341923103,0.7741073264341032,0.8457182509766294,0.8314457542320609,0.7884333664587759
EOS-2-16694,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)cc1F,QSQNATSJKNYJNU-UHFFFAOYSA-N,2,1,0.5,16,772,437.385,3.583,5,0.391,0.65,1.0,0.8821790829963676,0.7393084778287986,0.8819477760263176,0.8470546912480296,0.8376225070248783
EOS-2-16695,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)nc1,OSZIAWCOFMAZNB-UHFFFAOYSA-N,2,1,0.561,4,519,437.385,4.163,5,0.397,0.75,1.0,0.5288448358577205,0.657725652799671,0.8993986018778699,0.8488366116098965,0.7337014255362895
EOS-2-16696,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)cc1,HXDCDBBVOWTRAQ-UHFFFAOYSA-N,2,1,0.575,27,51,437.385,3.97,5,0.414,0.79,1.0,0.6217017339455829,0.4746419025426633,0.9587416900829279,0.8996470426975532,0.7386830923171819
EOS-2-16697,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nc2F)n1,IAFCJIMGRFHNRE-UHFFFAOYSA-N,2,1,0.573,59,294,437.385,3.583,5,0.391,0.6,1.0,0.7178740319374958,0.614839627167432,0.8377767116715784,0.8067387430607909,0.7443072784593243
EOS-2-16698,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c(F)c2)nn1,KXDXNCRMHMLMRF-UHFFFAOYSA-N,2,1,0.542,34,146,437.385,3.583,5,0.418,0.71,1.0,0.6995665136042766,0.7610341991638682,0.8766534164896169,0.8705109313960661,0.8019412651634569
EOS-2-16699,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nc2)cn1,MRDMXAWZYINOMN-UHFFFAOYSA-N,2,1,0.525,27,412,437.385,4.398,5,0.415,0.86,1.0,0.6330443424028511,0.6531509149475704,0.9736053046398465,0.9198649852648894,0.7949163868137893
EOS-2-16700,Cn1nc(-c2ccnc(F)c2)cc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,FWEOYEJEDFRTOX-UHFFFAOYSA-N,2,1,0.5,96,121,437.385,3.994,5,0.387,0.78,0.999,0.2434805702145158,0.5200037694469193,0.8959975327256527,0.8705194983208827,0.6325003426769926
EOS-2-16701,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cc(F)cc4F)n23)ccn1,IMRYDOBDSALUNM-UHFFFAOYSA-N,2,1,0.494,73,624,437.385,3.583,5,0.418,0.65,1.0,0.6755105887190734,0.5522239736824069,0.8685919402371325,0.8355236104447947,0.7329625282708518
EOS-2-16702,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(OC(F)F)c(F)c4)n23)c1,WOHMINCUIPAEHV-UHFFFAOYSA-N,2,1,0.388,61,121,437.385,3.994,5,0.414,0.77,1.0,0.410227194846138,0.5661537934343088,0.8923908573778356,0.8735950243300665,0.6855917174970872
EOS-2-16703,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)c1,HLAFMURHYYTNED-UHFFFAOYSA-N,2,1,0.477,2,328,437.385,3.583,5,0.391,0.72,1.0,0.6693081351518059,0.5957353848262628,0.9136539647728051,0.8846292234939346,0.7658316770612021
EOS-2-16704,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cc1,JGGDKLKXONUHMO-UHFFFAOYSA-N,2,1,0.56,27,51,437.385,3.97,5,0.414,0.68,1.0,0.49295798780069905,0.5064680282365842,0.9607377835652114,0.9031423480227537,0.715826536906312
EOS-2-16705,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cc4)n23)cc1,IVZCWAJHJPHYPC-UHFFFAOYSA-N,2,1,0.57,43,138,437.385,3.97,5,0.414,0.84,1.0,0.5876653416489617,0.5336423137550544,0.97459906791858,0.9356366938523748,0.7578858542937428
EOS-2-16706,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cc2)n1,GGOTUHAADMBBCO-UHFFFAOYSA-N,2,1,0.582,43,630,437.385,3.583,5,0.391,0.65,1.0,0.8658248235213488,0.7527157151668837,0.8686005071619491,0.8235042149270098,0.8276613151942979
EOS-2-16707,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c1,XAOZHHANGRSESU-UHFFFAOYSA-N,2,1,0.557,88,70,437.385,3.615,5,0.436,0.58,1.0,0.9557004317730108,0.9226406689054897,0.865739154273182,0.8655678157768487,0.9024120176821327
EOS-2-16708,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)cn1,NQDQLJJMFMTDQU-UHFFFAOYSA-N,2,1,0.566,27,51,437.385,3.97,5,0.414,0.82,1.0,0.4929665547255157,0.4974898910287163,0.9483328764306764,0.8655763827016654,0.7010914262216434
EOS-2-16709,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cn2)cn1,WDNRPUVFQNITME-UHFFFAOYSA-N,2,1,0.506,59,109,437.385,3.583,5,0.391,0.73,1.0,0.6446610924542526,0.6427078335960523,0.902902474127887,0.8607018024809814,0.7627433006647933
EOS-2-16710,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(OC(F)(F)F)c5)n34)cc2)n1,CTJSEQGBWYUKDG-UHFFFAOYSA-N,2,1,0.43,61,121,437.385,4.152,5,0.42,0.86,1.0,0.4169008292783222,0.5810688095401275,0.9514169693646769,0.9056267562195874,0.7137533411006785
EOS-2-16711,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)nc4)n23)cc1,RKSGWAWPTLRONC-UHFFFAOYSA-N,2,1,0.561,27,51,437.385,3.97,5,0.414,0.74,1.0,0.702470701117127,0.520012336371736,0.9696559522993626,0.9166523884586388,0.777197844561716
EOS-2-16712,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)cn2)cn1,AFDGFHVULKIDPS-UHFFFAOYSA-N,2,1,0.506,59,445,437.385,3.583,5,0.391,0.66,1.0,0.607874717291481,0.6480450277568364,0.9018144746761703,0.865584949626482,0.7558297923377424
EOS-2-16713,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cc2F)n1,UIWPPAMVFIXORK-UHFFFAOYSA-N,2,1,0.5,16,772,437.385,3.583,5,0.418,0.64,1.0,0.777285655541087,0.6723922280858063,0.8855287505996847,0.8539939003495305,0.7973001336440272
EOS-2-16714,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)cn2)cn1,MACKRTQDVJNWRI-UHFFFAOYSA-N,2,1,0.443,96,121,437.385,3.994,5,0.414,0.8,1.0,0.31037111918305804,0.6148481940922487,0.9250137070797066,0.8956976903570695,0.6864826776780207
EOS-2-16715,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1F,RCLGJOXESNDTBN-UHFFFAOYSA-N,2,1,0.483,73,526,437.385,3.583,5,0.418,0.69,1.0,0.7024792680419437,0.6626687684188883,0.8508584058666301,0.8273164964704269,0.7608307346994723
EOS-2-16716,Cn1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1-c1ccc(F)nc1,QBOUYBUWBRYCBL-UHFFFAOYSA-N,2,1,0.451,95,998,437.385,3.583,5,0.391,0.66,0.988,0.4929751216503324,0.4703841409087794,0.8362517990542115,0.8254232060859434,0.6562585669248167
EOS-2-16717,Cn1cc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)c(-c2cncc(F)c2)n1,ZVJHLQGNTNLNKM-UHFFFAOYSA-N,2,1,0.506,73,772,437.385,3.583,5,0.418,0.73,1.0,0.5261376876156535,0.6382101980673017,0.7986344321842231,0.8046655472551573,0.6919119662805839
EOS-2-16718,Cn1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)cc1-c1ccc(F)c(F)c1,AFZNVTACMDFUNH-UHFFFAOYSA-N,2,1,0.457,95,965,437.385,3.583,5,0.391,0.69,1.0,0.4193424028510726,0.43071071208279077,0.7791361113014872,0.779992803783154,0.6022955075046261
EOS-2-16719,Cn1nc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1-c1cncc(F)c1,OHTRDPVAWWSWOW-UHFFFAOYSA-N,2,1,0.44,95,998,437.385,3.583,5,0.418,0.72,0.999,0.4855732986087314,0.4173548762936056,0.8254660407100267,0.8374940031526283,0.641472054691248
EOS-2-16720,Cn1nc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1-c1cnccc1F,NXPKUOYKWDYDIM-UHFFFAOYSA-N,2,1,0.449,95,998,437.385,3.583,5,0.418,0.68,0.998,0.46323075868686175,0.4307192790076074,0.8344613117675279,0.8453070385854293,0.6434295970118566
EOS-2-16721,Cn1nc(-c2ccc(F)cn2)cc1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,KZEASXKBFWQNSP-UHFFFAOYSA-N,2,1,0.535,34,391,437.385,3.583,5,0.418,0.66,1.0,0.6933212254129257,0.7993369200191899,0.7791446782263038,0.7800013707079707,0.7629510485915976
EOS-2-16722,Cn1cncc1-c1cc(F)c(-c2nnc3cncc(OCc4c(F)cccc4F)n23)cn1,CEWRYPRRJBNQTQ-UHFFFAOYSA-N,2,1,0.46,59,332,437.385,3.583,5,0.418,0.64,1.0,0.742135563018299,0.6148567610170653,0.8457268179014461,0.8335532177369611,0.7590680899184429
EOS-2-16723,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1ccc(F)cn1,HYVQEGNWPMPARZ-UHFFFAOYSA-N,2,1,0.568,95,998,437.385,3.583,5,0.418,0.7,1.0,0.5876739085737783,0.5020132273319169,0.7986429991090398,0.8025152491261737,0.6727113460352272
EOS-2-16724,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cn1,UKZCIZCFXXBQAS-UHFFFAOYSA-N,2,1,0.494,59,109,437.385,3.583,5,0.391,0.67,1.0,0.8053509012404907,0.7020594887259269,0.8899492838050853,0.8470632581728462,0.8111057329860872
EOS-2-16725,Cn1cc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)c(-c2ccc(F)cn2)n1,WSQNVNAYLRJTHG-UHFFFAOYSA-N,2,1,0.518,34,446,437.385,3.583,5,0.418,0.67,1.0,0.5622215749434583,0.6871616064697417,0.7441573572750325,0.7628246864505517,0.6890913062846961
EOS-2-16726,Cn1nc(-c2ccc(F)cn2)cc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,SGGQIXLVORTJEI-UHFFFAOYSA-N,2,1,0.529,34,10,437.385,3.583,5,0.418,0.64,1.0,0.602203413062847,0.7527242820917004,0.7465903639229662,0.7576159961620177,0.7147835138098828
EOS-2-16727,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)nc1,DBISRLZNXOLKLH-UHFFFAOYSA-N,2,1,0.433,96,121,437.385,3.994,5,0.414,0.67,1.0,0.37245562332944965,0.6334898224933178,0.908111164416421,0.877604345144267,0.6979152388458638
EOS-2-16728,Cn1nc(-c2cccnc2)cc1Oc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,SFQZOEMTFBUSFE-UHFFFAOYSA-N,2,1,0.494,27,676,437.385,4.398,5,0.415,0.8,1.0,0.6217103008703996,0.6382187649921184,0.9540812829826606,0.8901034884517853,0.776028459324241
EOS-2-16729,COc1cc(C(F)(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,KMCSXDFYBBDHFR-UHFFFAOYSA-N,2,1,0.345,61,697,437.385,4.271,5,0.451,0.74,1.0,0.49533959289973273,0.492521074635049,0.9702984716606127,0.9155900897813721,0.7184373072441916
EOS-2-16730,Cn1c(-c2cccc(F)c2)nnc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,MLEGRIFUVPLEPD-UHFFFAOYSA-N,2,1,0.53,61,311,437.385,3.994,5,0.414,0.78,1.0,0.3155798094715921,0.642716400520869,0.767613597423069,0.8156312110204921,0.6353852546090055
EOS-2-16731,Cn1nc(-c2ccccc2)cc1Oc1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12,IQKCZSNIXQPVTR-UHFFFAOYSA-N,2,1,0.512,1,700,437.385,4.398,5,0.415,0.77,1.0,0.5566359399629909,0.6004214927009801,0.9039562058803372,0.7891851141114385,0.7125496881639366
EOS-2-16732,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1,GLLKNDMNVKEFJR-UHFFFAOYSA-N,2,1,0.59,43,520,437.385,3.583,5,0.391,0.73,1.0,0.9046672606401206,0.8152114317044754,0.8740662051949832,0.8434480159002125,0.8593482283599478
EOS-2-16733,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1,WEHQSYPMVAMBGE-UHFFFAOYSA-N,2,1,0.433,46,577,437.385,3.583,5,0.391,0.67,1.0,0.5129788910972517,0.41736344321842234,0.9039647728051539,0.8640257693098485,0.674583219107669
EOS-2-16734,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cc2F)n1,AQKQPLMSHZDFJR-UHFFFAOYSA-N,2,1,0.506,73,526,437.385,3.583,5,0.418,0.67,1.0,0.6446696593790693,0.6382273319169351,0.8219878692344595,0.7960729216640394,0.7252394455486258
EOS-2-16735,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1F,INIVPVMAYAVDHY-UHFFFAOYSA-N,2,1,0.524,16,772,437.385,3.583,5,0.418,0.67,1.0,0.7511736686998834,0.6334983894181344,0.8948152971009526,0.8672469330409156,0.7866835720649714
EOS-2-16736,Fc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1ccn(C(F)F)n1,RGRGCPKZISGLOQ-UHFFFAOYSA-N,2,1,0.654,4,554,437.385,4.163,5,0.397,0.67,1.0,0.5235247755465698,0.672400795010623,0.8657477211979988,0.8088976081145912,0.7176427249674457
EOS-2-16737,Cn1nc(-c2ccc(F)cc2)cc1-c1nnc2cncc(OCc3cc(F)c(F)cn3)n12,ZFBHQDJRJQBCKG-UHFFFAOYSA-N,2,1,0.456,34,965,437.385,3.583,5,0.418,0.62,1.0,0.44944657665684323,0.47039270783359605,0.7813977794530875,0.7913097114659722,0.6231366938523748
EOS-2-16738,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5c[nH]cn5)nc4)n23)c(F)c1,NWHJXGJIGDVCTM-UHFFFAOYSA-N,2,1,0.518,84,749,437.385,3.615,5,0.436,0.6,1.0,0.8335103831128778,0.769883832499486,0.8362603659790282,0.8195377287368926,0.8147980775820711
EOS-2-16739,Cn1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1-c1ccc(F)c(F)c1,AVDGOICPIDQJQZ-UHFFFAOYSA-N,2,1,0.494,95,998,437.385,3.583,5,0.391,0.73,1.0,0.5180162428894524,0.46174011376876156,0.8362689329038449,0.8235127818518264,0.6598845178534714
EOS-2-16740,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)nc2)n[nH]1,OTOIEJNVCQMAGU-UHFFFAOYSA-N,2,1,0.4,96,121,437.385,4.292,5,0.441,0.66,0.91,0.5205863203344527,0.6920875882393256,0.9099444863271879,0.8818107052292509,0.7511072750325543
EOS-2-16741,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1F,CZSQXRXGCKFCDV-UHFFFAOYSA-N,2,1,0.56,34,607,437.385,3.583,5,0.418,0.67,1.0,0.7539493523404839,0.7827085189500377,0.8888184497292851,0.8818192721540675,0.8268238982934685
EOS-2-16742,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5OC(F)F)n34)nc2)n[nH]1,HKCXJKIWXMDXLK-UHFFFAOYSA-N,2,1,0.354,96,121,437.385,4.292,5,0.441,0.7,0.661,0.4782828455897471,0.6239034336234666,0.9005722705777535,0.8720187101637996,0.7186943149886916
EOS-2-16743,Cc1nc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)c[nH]1,CLOJYQNGXVMGSC-UHFFFAOYSA-N,2,1,0.43,46,577,437.385,3.881,5,0.42,0.59,1.0,0.6135117538208484,0.5200209032965527,0.8791378246864505,0.8335617846617778,0.7115580666164074
EOS-2-16744,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5OC(F)F)n34)nc2)n1,RJZJJGVGJIXOSS-UHFFFAOYSA-N,2,1,0.372,96,985,437.385,3.994,5,0.414,0.72,0.994,0.34261702419299567,0.5568843807826742,0.8923994243026523,0.8573778356521143,0.6623196662326091
EOS-2-16745,Cn1nccc1-c1nc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)ccc1F,VAGZCCDRTQUFGO-UHFFFAOYSA-N,2,1,0.529,34,391,437.385,3.583,5,0.418,0.69,1.0,0.5964807072853129,0.7298163251319306,0.7938626550613391,0.7774826948118704,0.7244105955726132
EOS-2-16746,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)nc2F)n1,CYHZSTUSUIUUPK-UHFFFAOYSA-N,2,1,0.44,59,223,437.385,3.583,5,0.391,0.66,1.0,0.590646631485162,0.5568929477074909,0.8237526557466932,0.8003563840723734,0.6929121547529299
EOS-2-16747,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2F)n1,SCCXZUDYCCGZDL-UHFFFAOYSA-N,2,1,0.523,4,469,437.385,3.583,5,0.418,0.62,1.0,0.6163645397847989,0.662677335343705,0.8642142416558152,0.8295524638475773,0.7432021451579741
EOS-2-16748,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)c1,QBNZOMPHVSMKRZ-UHFFFAOYSA-N,2,1,0.573,4,519,437.385,4.163,5,0.397,0.63,1.0,0.5205948872592694,0.6239120005482832,0.9018230416009869,0.8555873483654307,0.7254793194434925
EOS-2-16749,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)ccn2)c1F,IJLPWLFRTGYISD-UHFFFAOYSA-N,2,1,0.543,59,16,437.385,3.583,5,0.418,0.75,1.0,0.5439311904598725,0.5200294702213694,0.8490850524295799,0.8254317730107601,0.6846193715303954
EOS-2-16750,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c(F)c1,HJMILGBSOQGKJV-UHFFFAOYSA-N,2,1,0.68,59,96,437.385,3.583,5,0.418,0.7,1.0,0.8210626413542594,0.8035946816530738,0.8599050784730313,0.8453156055102461,0.8324695017476528
EOS-2-16751,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)c1F,IXPBNPZDMXISDT-UHFFFAOYSA-N,2,1,0.516,84,749,437.385,3.615,5,0.408,0.59,1.0,0.9031166472483038,0.8773045027756836,0.8441590706599958,0.8273250633952437,0.8629763210198068
EOS-2-16752,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1F,ULLMMUGIEKKZGK-UHFFFAOYSA-N,2,1,0.53,73,980,437.385,3.583,5,0.418,0.69,1.0,0.8546364197107806,0.706908368172161,0.889957850729902,0.8655935165512988,0.8292740387910356
EOS-2-16753,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)cc2F)n1,HPPPCMIHFQMUGB-UHFFFAOYSA-N,2,1,0.494,16,772,437.385,3.583,5,0.391,0.56,1.0,0.7714944143650195,0.7069169350969776,0.8791463916112672,0.8434565828250291,0.8002535809745732
EOS-2-16754,Fc1ccc2c(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccnc2c1,HOXOSHLDVSSRKN-UHFFFAOYSA-N,2,1,0.671,1,996,437.381,4.659,5,0.385,0.82,1.0,0.9958621753135495,0.985196353916798,0.9683709135768624,0.9587416900829279,0.9770427832225345
EOS-2-16755,Cc1onc(-c2cccc(F)c2)c1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,QNVXQTFPOUTWMR-UHFFFAOYSA-N,2,1,0.58,59,13,437.381,4.751,5,0.395,0.74,1.0,0.9286203824275238,0.9024569940374203,0.8753769446919334,0.8832328147488178,0.8974217839764238
EOS-2-16756,COc1cc(C(F)F)c(F)cc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,QRTSAMSUFNCHKW-UHFFFAOYSA-N,2,1,0.353,96,697,437.381,5.199,5,0.376,0.76,1.0,0.6662326091426222,0.6821670893016243,0.9717377150298129,0.9439123432252758,0.8160124391748338
EOS-2-16757,Cc1onc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,KECRIXQOPDOUDM-UHFFFAOYSA-N,2,1,0.636,57,798,437.381,4.751,5,0.395,0.74,1.0,0.9612689329038449,0.9281406346377904,0.883095743951751,0.8887927489548352,0.9153245151120554
EOS-2-16758,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)no2)ccc1F,PSWZHMBBIPDVOI-UHFFFAOYSA-N,2,1,0.573,59,13,437.381,4.751,5,0.395,0.69,1.0,0.7629960249468851,0.6004300596257968,0.9466280583921596,0.938129668974025,0.8120459529847166
EOS-2-16759,Cc1onc(-c2ccc(F)c(F)c2)c1COc1cncc2nnc(-c3ccc(F)cc3)n12,UIUPYUDSGJDVAS-UHFFFAOYSA-N,2,1,0.658,57,798,437.381,4.751,5,0.395,0.76,1.0,0.9643101912137619,0.9343516551298746,0.8841751764786512,0.8888013158796518,0.9179095846754849
EOS-2-16760,Cc1onc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(F)cc3F)n12,IAYPXAPJJLGVHL-UHFFFAOYSA-N,2,1,0.55,34,146,437.381,4.751,5,0.395,0.77,1.0,0.8878075526009184,0.8799945171681174,0.8614813926392982,0.8761822356247002,0.8763664245082585
EOS-2-16761,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)c(F)c4)n23)cc1F,NQFFLEOFXGHKMG-UHFFFAOYSA-N,2,1,0.764,88,222,437.381,4.485,5,0.39,0.71,1.0,0.9897796586937153,0.9415050373517923,0.9489582619422932,0.9390120622301419,0.9548137550544857
EOS-2-16762,COc1nc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)c2)n[nH]1,QIGKLDDLLRTESP-UHFFFAOYSA-N,2,1,0.457,2,422,437.37,2.232,5,0.398,0.62,1.0,0.44945514358165994,0.4126859022685217,0.3302121170584607,0.27351620862175313,0.36646734288259886
EOS-2-16763,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nn1,SUOAHBWIMPIFNK-UHFFFAOYSA-N,2,1,0.59,36,706,437.37,2.77,5,0.395,0.74,1.0,0.6933297923377424,0.667474813241039,0.45199952025221024,0.40511274073058734,0.5544792166403947
EOS-2-16764,COc1nc(-c2nnc3cncc(OCc4ccnc(F)c4F)n23)ccc1-c1nc[nH]n1,OMFYMCHZPOTTIV-UHFFFAOYSA-N,2,1,0.366,46,896,437.37,2.232,5,0.398,0.55,0.732,0.6390240559248852,0.5246213419231033,0.34885374545952985,0.264855047632102,0.4443385477349051
EOS-2-16765,Cc1noc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)n1,PSWPAPWLOTYKTH-UHFFFAOYSA-N,2,1,0.467,7,535,437.37,2.851,5,0.391,0.69,1.0,0.5708142005345761,0.49252964155986567,0.2828627235967377,0.20886162703036118,0.3887670481803852
EOS-2-16766,FC(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1,MQDWXTMGPFBAOY-UHFFFAOYSA-N,2,1,0.544,27,185,437.37,2.547,5,0.408,0.6,1.0,0.5516928243437735,0.5810773764649442,0.5617503940785415,0.4529418819820437,0.5368656192173258
EOS-2-16767,COc1cc(-c2nnc3cncc(-n4cc(-c5cccc(OC(F)F)n5)nn4)n23)ccn1,QMIVNLLCSQZDKQ-UHFFFAOYSA-N,2,1,0.505,50,542,437.37,2.439,5,0.395,0.65,0.959,0.04707525186758961,0.21439586046192857,0.42986258652594067,0.3353437050236447,0.2566693509697759
EOS-2-16768,COc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)on4)n23)c(F)c1,CEKGEOGLVLHYSC-UHFFFAOYSA-N,2,1,0.381,46,128,437.366,3.102,5,0.395,0.55,1.0,0.48305462271263105,0.3985076416969365,0.4969159070659996,0.43409464738537457,0.45314320471523545
EOS-2-16769,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)no2)cn1,RURRZVKZGHRDRN-UHFFFAOYSA-N,2,1,0.494,73,446,437.366,3.102,5,0.395,0.73,1.0,0.5848296895346446,0.648053594681653,0.4448033034062093,0.39014632307586866,0.516958227674594
EOS-2-16770,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncco5)nn4)n23)cc1,XRBNTXVRUYFLAP-UHFFFAOYSA-N,2,1,0.701,72,996,437.366,3.417,5,0.378,0.69,1.0,0.6507179082996367,0.6871701733945583,0.6396151737372353,0.5591460489342746,0.6341623260914262
EOS-2-16771,FC(F)Oc1ccc(-c2nnc3cncc(OCc4noc(-c5ccccn5)n4)n23)cc1,BLEPPLPDVVEHAN-UHFFFAOYSA-N,2,1,0.627,24,996,437.366,3.417,5,0.378,0.86,1.0,0.6599616201768214,0.6382358988417518,0.5183160852580357,0.48069015146323074,0.5743009389349599
EOS-2-16772,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5conn5)nc4)n23)cc1,BLHITFPVDXOIGQ-UHFFFAOYSA-N,2,1,0.675,72,996,437.366,3.417,5,0.378,0.71,1.0,0.7715029812898362,0.609939346172298,0.7835566445068878,0.6989239942430265,0.7159807415530122
EOS-2-16773,COc1nc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1-c1cocn1,LAIAMXOZDNGOAD-UHFFFAOYSA-N,2,1,0.435,49,501,437.366,3.102,5,0.395,0.57,0.882,0.5651771640052087,0.4704012747584127,0.444811870331026,0.36439414707696527,0.46119611404290317
EOS-2-16774,COc1cc(-c2nnc3cncc(OCc4nc(F)ccc4F)n23)ccc1-c1ncno1,LPFVWQVFTCXCKM-UHFFFAOYSA-N,2,1,0.436,4,248,437.366,3.102,5,0.37,0.69,1.0,0.7359930779247481,0.6335069563429512,0.5908779384552121,0.4747104379411966,0.608772102666027
EOS-2-16775,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)cc1,QCWZEDHPPLFOJA-UHFFFAOYSA-N,2,1,0.675,72,996,437.366,3.417,5,0.378,0.73,1.0,0.89983551504352,0.6969621684600096,0.7514649441436502,0.6556096223699541,0.7509680625042834
EOS-2-16776,COc1cc(F)ccc1-c1nnc2cncc(OCc3cnc(F)c(-c4nnco4)c3)n12,VGNAGLCJXDQTOD-UHFFFAOYSA-N,2,1,0.467,16,772,437.366,3.102,5,0.37,0.67,1.0,0.727049208416147,0.6099479130971147,0.6302429579878007,0.5258635460215201,0.6232759063806457
EOS-2-16777,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)nc1,PNWQVYXQOTUGRV-UHFFFAOYSA-N,2,1,0.536,72,348,437.366,3.417,5,0.378,0.76,1.0,0.8546449866355973,0.6050219313275307,0.7627047495031184,0.6643050510588719,0.7216691796312796
EOS-2-16778,O=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)o1,SXOVCFBSXYKFBP-UHFFFAOYSA-N,2,1,0.663,84,360,437.366,2.429,5,0.43,0.69,0.994,0.7241364539784799,0.5336508806798711,0.535021588650538,0.5162257556027688,0.5772586697279144
EOS-2-16779,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)cc1,GFVCHAXBSUMAAX-UHFFFAOYSA-N,2,1,0.737,72,996,437.366,3.417,5,0.378,0.69,1.0,0.6844801590021246,0.6674833801658556,0.7514735110684668,0.6583938729353711,0.6904577307929545
EOS-2-16780,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)n2)o1,QFNBORVKZFARIS-UHFFFAOYSA-N,2,1,0.511,34,268,437.366,3.102,5,0.395,0.67,0.995,0.659970187101638,0.6674919470906723,0.3900435199780687,0.35433657734219726,0.5179605578781441
EOS-2-16781,FC(F)Oc1cccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,MVXHIIBADDTFST-UHFFFAOYSA-N,2,1,0.558,72,22,437.366,3.417,5,0.378,0.68,1.0,0.7360016448495648,0.6427249674456857,0.697750325543143,0.57522616681516,0.6629257761633883
EOS-2-16782,COc1nc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1-c1ncco1,LZECEBSGFNXTRU-UHFFFAOYSA-N,2,1,0.404,49,501,437.366,3.102,5,0.37,0.59,0.999,0.7024878349667604,0.4617486806935782,0.47991912822973065,0.35760914262216437,0.5004411966280584
EOS-2-16783,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1ncco1,WFDUCPQTPLQPAU-UHFFFAOYSA-N,2,1,0.394,49,564,437.366,3.102,5,0.395,0.57,0.998,0.7086988554588445,0.45714824206702764,0.49692447399081624,0.39299910903981905,0.5139426701391269
EOS-2-16784,COc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1cocn1,VMKCVWQSAGIBJU-UHFFFAOYSA-N,2,1,0.451,49,501,437.366,3.102,5,0.395,0.63,1.0,0.5492769515454733,0.47922520731958057,0.5183246521828524,0.4118377767116716,0.48966614693989446
EOS-2-16785,COc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1ncco1,MEXKXYITVPXRAP-UHFFFAOYSA-N,2,1,0.451,49,501,437.366,3.102,5,0.395,0.61,1.0,0.54928551847029,0.44849564800219316,0.45557192790076073,0.3543451442670139,0.4519245596600644
EOS-2-16786,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(C(F)F)nc5)n34)nc2)c(F)c1,ZLQYHTBZXVMERA-UHFFFAOYSA-N,2,1,0.342,96,680,437.36,4.526,5,0.385,0.77,1.0,0.3656791857994654,0.5957439517510794,0.9157271605784387,0.9132855870056884,0.697608971283668
EOS-2-16787,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)c1,WBXNTRHVFARHKS-UHFFFAOYSA-N,2,1,0.493,82,243,437.36,4.468,5,0.388,0.8,0.984,0.437744157357275,0.667500514015489,0.9763038859570968,0.9505517099581934,0.7580250668220135
EOS-2-16788,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)nc2)nc1,ZYHPXALLHKMARH-UHFFFAOYSA-N,2,1,0.329,96,315,437.36,4.526,5,0.385,0.7,1.0,0.4377527242820917,0.653159481872387,0.9394746761702419,0.9347371667466247,0.7412810122678364
EOS-2-16789,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)cn1,ZGIXMADSVHMGOD-UHFFFAOYSA-N,2,1,0.521,96,478,437.36,4.468,5,0.306,0.83,0.999,0.397282571448153,0.6531680487972038,0.9767750668220135,0.9478102940168597,0.7437589952710575
EOS-2-16790,Fc1cc(-c2ccccn2)ncc1-c1cncc2nnc(-c3cccc(C(F)(F)F)n3)n12,BMRKACUDHDFAPZ-UHFFFAOYSA-N,2,1,0.38,96,315,437.36,4.468,5,0.388,0.71,1.0,0.3228702624905764,0.4659893084778288,0.9514255362894936,0.9132941539305051,0.663394815297101
EOS-2-16791,Fc1cncc(-c2nc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)c1,AEAURJSONLTUSB-UHFFFAOYSA-N,2,1,0.378,96,243,437.36,4.526,5,0.385,0.74,0.176,0.40147179768350355,0.6335155232677678,0.930136728120074,0.9222037557398396,0.7218319512027963
EOS-2-16792,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5c(F)cccc5F)c(F)n4)n23)c1,BBXZJLMITQULSH-UHFFFAOYSA-N,2,1,0.531,57,236,437.356,5.202,5,0.286,0.79,1.0,0.8131896374477418,0.857000890960181,0.9692961414570626,0.9760897128366801,0.9038940956754162
EOS-2-16793,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)n5)c4)n23)cc1F,KYACRGPMDRQHKR-UHFFFAOYSA-N,2,1,0.593,57,236,437.356,5.202,5,0.286,0.76,1.0,0.9343173874306079,0.9131313823589884,0.9797734905078473,0.9805873483654307,0.9519524021657185
EOS-2-16794,Fc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)ccc1-c1cccnc1,AFATYIBZZBFTPR-UHFFFAOYSA-N,2,1,0.494,13,236,437.356,5.202,5,0.286,0.7,1.0,0.9208159139195394,0.9343602220546913,0.9868155027071482,0.9862415187444314,0.9570582893564527
EOS-2-16795,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cn4)n23)cc1F,KGOLOOXUXXECOF-UHFFFAOYSA-N,2,1,0.538,57,236,437.356,5.202,5,0.362,0.81,1.0,0.8701596874785826,0.885211774381468,0.9845452676307312,0.9870039750531149,0.9317301761359742
EOS-2-16796,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)cc1F,HSCDKTKIFGYKOE-UHFFFAOYSA-N,2,1,0.55,57,236,437.356,5.202,5,0.362,0.82,1.0,0.8183897608114591,0.830511959427044,0.9845538345555479,0.9875094236172983,0.9052412446028373
EOS-2-16797,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)cc5F)ccn4)n23)c(F)c1,PGSFVBNXHJOZLH-UHFFFAOYSA-N,2,1,0.43,13,236,437.356,5.202,5,0.362,0.78,1.0,0.7886196970735385,0.8305205263518607,0.9800476321019806,0.9843567952847646,0.8958861627030362
EOS-2-16798,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)c(F)c1,LJJTWHBVRBRMSP-UHFFFAOYSA-N,2,1,0.42,13,236,437.356,5.202,5,0.362,0.82,1.0,0.7686930299499691,0.8340243986018778,0.9823435679528476,0.985376259337948,0.8926093139606607
EOS-2-16799,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cn2)c(F)c1,FBNQGGLIBRCDQX-UHFFFAOYSA-N,2,1,0.488,57,236,437.356,5.202,5,0.362,0.78,1.0,0.954869440065794,0.9664005208690288,0.9833887327804811,0.9853848262627647,0.9725108799945172
EOS-2-16800,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cncnn5)c(F)n4)n23)c1F,QHCNKZDPKVQTEV-UHFFFAOYSA-N,2,1,0.389,46,564,437.345,2.43,5,0.382,0.54,0.999,0.8081265848810911,0.6099564800219314,0.6571259680625042,0.6471712014255363,0.6805950585977658
EOS-2-16801,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cnncn5)c(F)n4)n23)c1F,RAMWTHYQAWNLAA-UHFFFAOYSA-N,2,1,0.385,46,564,437.345,2.43,5,0.382,0.6,0.892,0.7886282639983552,0.6195514358165993,0.6734031252141731,0.6556181892947708,0.6843002535809746
EOS-2-16802,Fc1cnnc(-c2nncc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)c1,XTULLPPOYGXOBQ-UHFFFAOYSA-N,2,1,0.481,22,121,437.345,2.841,5,0.409,0.66,0.983,0.5439397573846891,0.795027756836406,0.6457233911315194,0.6849256390925913,0.6674041361113014
EOS-2-16803,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(F)n5)n34)cn2)cn1,GZDKTHRLWJCHHH-UHFFFAOYSA-N,2,1,0.407,51,434,437.345,2.43,5,0.302,0.56,1.0,0.7970409841683229,0.8477828798574464,0.49347200328969915,0.45295044890686037,0.6478115790555823
EOS-2-16804,Fc1cc(-c2ncccn2)cnc1Oc1cncc2nnc(-c3cnc(C(F)F)nc3)n12,AZGXORXYVXOIDL-UHFFFAOYSA-N,2,1,0.371,51,489,437.345,3.302,5,0.408,0.71,1.0,0.7241450209032966,0.7570591460489343,0.46959598382564594,0.3866767185251182,0.5843692173257488
EOS-2-16805,Fc1cnc(-c2nncc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)cn1,VTSJPYYDWXYASO-UHFFFAOYSA-N,2,1,0.526,50,121,437.345,2.841,5,0.409,0.72,0.809,0.49785826879583306,0.7438146802823659,0.6457319580563361,0.6584024398601878,0.6364518367486807
EOS-2-16806,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)n(C)n1,PRTCIMGYEBZPDY-UHFFFAOYSA-N,2,1,0.386,22,844,437.294,4.264,5,0.419,0.73,1.0,0.1856195600027414,0.39851620862175313,0.4046672606401206,0.5656911794942088,0.388623552189706
EOS-2-16807,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cc2Cl)n1,PPNJMTBCXFSGGS-UHFFFAOYSA-N,2,1,0.636,13,15,437.29,5.291,5,0.382,0.71,1.0,0.4494637105064766,0.6675090809403057,0.8699626482077993,0.9077342197244876,0.7236674148447674
EOS-2-16808,Cn1nc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)cc1-c1ccccc1,IFFXSIUODNPAOH-UHFFFAOYSA-N,2,1,0.46,19,616,437.29,5.291,5,0.382,0.78,0.998,0.36096737715029814,0.46175724761839493,0.7697981632513193,0.8607103694057981,0.6133082893564527
EOS-2-16809,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)c(Cl)c1,IHKFARVXXGEXLX-UHFFFAOYSA-N,2,1,0.58,34,10,437.29,4.863,5,0.393,0.67,1.0,0.5734956480021931,0.7698923994243027,0.8523918854088136,0.890112055376602,0.7714729970529779
EOS-2-16810,Cn1ncc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)c1-c1ccc(Cl)cc1,OAMHYPOUTUXDHG-UHFFFAOYSA-N,2,1,0.623,13,15,437.29,5.291,5,0.382,0.76,1.0,0.3724641902542663,0.5477006373792064,0.802609485299157,0.8914741964224522,0.6535621273387704
EOS-2-16811,OCc1cc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)ccc1Cl,JTJXJVWWGWKJKM-UHFFFAOYSA-N,2,1,0.33,45,46,437.29,4.443,5,0.45,0.78,0.967,0.05867486806935782,0.35561304913988073,0.9136625316976218,0.9471506408059763,0.5687752724282091
EOS-2-16812,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccc(Cl)n5)cc4)n23)cc1,GEQKTGOFLZIJDC-UHFFFAOYSA-N,2,1,0.685,43,909,437.29,4.863,5,0.393,0.8,1.0,0.7715115482146528,0.8632033445274484,0.8657562881228155,0.8996556096223699,0.8500316976218217
EOS-2-16813,OCc1cc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)c4)n23)ccc1Cl,SCAGUGDHXQTTFD-UHFFFAOYSA-N,2,1,0.367,45,46,437.29,4.443,5,0.45,0.78,0.981,0.07563737920636009,0.35562161606469744,0.9193252690014393,0.94994345829621,0.5751319306421767
EOS-2-16814,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)cc4)n23)cc1,MJNUECZTYYLWRU-UHFFFAOYSA-N,2,1,0.694,43,909,437.29,4.863,5,0.393,0.82,1.0,0.7302361044479474,0.8773130697005003,0.8713504900280995,0.9077427866493044,0.8466606127064629
EOS-2-16815,Cn1nc(-c2cccc(Cl)c2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,PGDZLGYRXGPQJV-UHFFFAOYSA-N,2,1,0.521,34,417,437.29,5.291,5,0.382,0.84,1.0,0.6815074360907408,0.847791446782263,0.8199318072784594,0.8818278390788843,0.8077646323075869
EOS-2-16816,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)c(Cl)c1,KNNCBTZZKRCUSV-UHFFFAOYSA-N,2,1,0.577,43,146,437.29,4.863,5,0.393,0.74,1.0,0.4978668357206497,0.7741158933589198,0.8791549585360839,0.9077513535741211,0.7647222602974437
EOS-2-16817,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)cc1,BAVVDKGGEONWCC-UHFFFAOYSA-N,2,1,0.667,13,15,437.29,5.291,5,0.382,0.79,1.0,0.7998595024330066,0.7438232472071825,0.9099530532520047,0.9230861489959564,0.8441804879720376
EOS-2-16818,COc1cc(-c2nnc3cncc(-c4ccn(-c5cccc(Cl)c5)n4)n23)ccc1Cl,AAZHBMZVDCKEBG-UHFFFAOYSA-N,2,1,0.347,45,730,437.29,4.959,5,0.398,0.73,1.0,0.12477725995476664,0.3985247755465698,0.8568809540127476,0.8928620382427523,0.5682612569392091
EOS-2-16819,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4-n4cccn4)n23)cc1,ZNUXCOSVDDAPCW-UHFFFAOYSA-N,2,1,0.653,43,372,437.29,4.863,5,0.393,0.75,1.0,0.7511822356247002,0.8602648893153314,0.8642228085806319,0.9077599204989377,0.8458574635049003
EOS-2-16820,Brc1ccc(-c2nnc3cncc(-c4cnnc(-c5cncs5)n4)n23)cc1,IKPROYYYSAWKSQ-UHFFFAOYSA-N,2,1,0.448,22,844,437.286,3.529,5,0.426,0.75,1.0,0.19684223151257624,0.4617658145432116,0.20724247824001096,0.3255517099581934,0.29785055856349807
EOS-2-16821,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)nc5)cc4)n23)cc1Cl,IPKHOGYFBPXPCQ-UHFFFAOYSA-N,2,1,0.376,96,558,437.265,5.361,5,0.356,0.82,1.0,0.4445120279624426,0.687178740319375,0.9576622575560277,0.9740679185799466,0.765855236104448
EOS-2-16822,Fc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,PSAWKRPLDGDDDO-UHFFFAOYSA-N,2,1,0.437,45,140,437.265,5.361,5,0.356,0.81,0.999,0.3929648413405524,0.7438318141319992,0.9233088890411898,0.9587502570077445,0.7547139503803715
EOS-2-16823,Fc1cnc(-c2nnc3cncc(-c4cccc(-c5ccc(Cl)c(Cl)c5)c4)n23)nc1,SRIKQWXYCRRVKO-UHFFFAOYSA-N,2,1,0.308,45,102,437.265,5.361,5,0.38,0.79,1.0,0.33309060379686106,0.4354396545815914,0.9071516688369543,0.9594613117675279,0.6587858097457336
EOS-2-16824,Fc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(Cl)c5)n34)cc2)cc1Cl,VXSAWQNLXGRKJE-UHFFFAOYSA-N,2,1,0.356,96,680,437.265,5.361,5,0.356,0.77,1.0,0.3748629292029333,0.5706685628126927,0.9548009046672606,0.9740764855047632,0.7186022205469125
EOS-2-16825,Fc1cc(-c2ccc(Cl)nc2)ncc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,JUIUHMIVLSFBFR-UHFFFAOYSA-N,2,1,0.456,45,46,437.265,5.361,5,0.356,0.83,1.0,0.43093345212802414,0.757067712973751,0.9448204372558426,0.9720546912480296,0.7762190734014118
EOS-2-16826,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4ccnc(Cl)n4)cc3)n12,MRQKGZRVWLMSIQ-UHFFFAOYSA-N,2,1,0.384,96,558,437.265,5.361,5,0.356,0.78,1.0,0.40572099239257076,0.7438403810568158,0.9332036872044411,0.9611661298060448,0.7609827976149681
EOS-2-16827,Fc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1Cl,VCFBWZNGAKIIDU-UHFFFAOYSA-N,2,1,0.456,96,46,437.265,5.361,5,0.356,0.8,0.985,0.3929734082653691,0.7393170447536153,0.9454715235419094,0.9697758892467959,0.7618844664519224
EOS-2-16828,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nc5)cn4)n23)ccc1Cl,IVJVGCPNHRISOO-UHFFFAOYSA-N,2,1,0.394,45,680,437.265,5.361,5,0.356,0.84,1.0,0.4146477280515386,0.7252587211294633,0.9527105750119937,0.9735881707902131,0.7665512987458022
EOS-2-16829,Fc1cc(Cl)ccc1-c1cnncc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,NNHKUIKVQWLQFH-UHFFFAOYSA-N,2,1,0.462,45,533,437.265,5.361,5,0.38,0.74,1.0,0.42388287300390654,0.7783822219176204,0.9607463504900281,0.9835001028030979,0.7866278870536633
EOS-2-16830,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cnc1Cl,KTJQOPNTACDRGZ-UHFFFAOYSA-N,2,1,0.456,96,46,437.265,5.361,5,0.356,0.85,0.985,0.39729113837296964,0.7482866150366665,0.9448290041806593,0.9697844561716127,0.765047803440477
EOS-2-16831,Fc1ccc(Cl)cc1-c1ccnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,PYALRVLNFPIRPY-UHFFFAOYSA-N,2,1,0.449,45,533,437.265,5.361,5,0.38,0.77,1.0,0.42874031937495716,0.7913011445411555,0.907160235761771,0.9600866972791446,0.7718220992392572
EOS-2-16832,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)c(Cl)c5)nc4)n23)cc1,FDFWAJIFMOVVNB-UHFFFAOYSA-N,2,1,0.456,96,46,437.265,5.361,5,0.356,0.83,0.985,0.38857857583441846,0.6969707353848262,0.944837571105476,0.9692618737577959,0.7499121890206292
EOS-2-16833,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)ccc1Cl,CKUNISYOPAHPCP-UHFFFAOYSA-N,2,1,0.378,45,46,437.265,5.361,5,0.356,0.88,1.0,0.4350798437392913,0.7345709684051813,0.9527191419368104,0.9727743129326297,0.7737860667534783
EOS-2-16834,Fc1ccc(-c2nnc3cncc(-c4ccnnc4-c4ccc(Cl)c(Cl)c4)n23)cc1,JIDVZFHFZBQBMW-UHFFFAOYSA-N,2,1,0.429,45,102,437.265,5.361,5,0.38,0.72,1.0,0.42163833870193956,0.7482951819614831,0.9454800904667261,0.9760982797614968,0.7728779727229114
EOS-2-16835,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)cn1,IPRLUHNSDCJFPJ-UHFFFAOYSA-N,2,1,0.405,45,680,437.265,5.361,5,0.356,0.79,1.0,0.3587913782468645,0.6871873072441916,0.9429699814954424,0.9703156055102461,0.7398160681241862
EOS-2-16836,Fc1cccc(Cl)c1-c1nnc2cncc(-c3ccc(-c4cnc(Cl)cn4)cc3)n12,JKHUFYRMLMNRMV-UHFFFAOYSA-N,2,1,0.418,45,46,437.265,5.361,5,0.38,0.81,1.0,0.3355321773696114,0.5706771297375094,0.9241227468987732,0.9600952642039613,0.6976068295524638
EOS-2-16837,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)c1,JYUXZZUBDSBXTR-UHFFFAOYSA-N,2,1,0.384,45,680,437.265,5.361,5,0.38,0.76,1.0,0.3841666095538346,0.6772925090809403,0.9415478719758755,0.9720632581728462,0.7437675621958741
EOS-2-16838,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)cn1,AERZGJOGXILLBQ-UHFFFAOYSA-N,2,1,0.395,45,46,437.265,5.361,5,0.356,0.85,1.0,0.3472688643684463,0.6969793023096429,0.9435610993077925,0.9692704406826126,0.7392699266671235
EOS-2-16839,Fc1ncc(Cl)cc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,KICIJHBGBYCBTH-UHFFFAOYSA-N,2,1,0.449,45,46,437.265,5.361,5,0.356,0.8,1.0,0.41935096977588926,0.734579535329998,0.9365790555822082,0.9652439860187787,0.7639383866767185
EOS-2-16840,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,SSULPOIHFCWCST-UHFFFAOYSA-N,2,1,0.448,45,102,437.265,5.361,5,0.38,0.81,1.0,0.44002295935850866,0.7950363237612227,0.9423702967582757,0.9740850524295799,0.7878786580768967
EOS-2-16841,Cc1ccc(-c2nnc3cncc(-c4cc(-c5conn5)nn4C)n23)cc1Br,OXQLQRQVMFRZDC-UHFFFAOYSA-N,2,1,0.338,22,768,437.261,3.313,5,0.427,0.67,1.0,0.1632684531560551,0.24022513878418203,0.27125454047015285,0.30065622644095674,0.2438510897128367
EOS-2-16842,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(Br)cc5)n34)n(C)n2)o1,WWYWMSIRWLNLBS-UHFFFAOYSA-N,2,1,0.435,22,844,437.261,3.313,5,0.427,0.8,1.0,0.18280960866287438,0.36502809951339865,0.11902028647796586,0.16431361798368857,0.2077929031594819
EOS-2-16843,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)c1,NSVMMMSLCDRAPD-UHFFFAOYSA-N,2,1,0.4,46,971,437.25,4.137,5,0.413,0.74,0.987,0.5790641491330272,0.5911006785004455,0.6273045027756836,0.7260982797614968,0.6308919025426633
EOS-2-16844,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)nn5)nc4)n23)cn1,SRZLOSDETDIEPZ-UHFFFAOYSA-N,2,1,0.398,13,284,437.25,4.137,5,0.387,0.67,0.998,0.6105904324583648,0.7827170858748543,0.5845555479405112,0.6613751627715715,0.6598095572613254
EOS-2-16845,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5ccnnc5)ncn4)n23)c1,IINFZGMDQZKROU-UHFFFAOYSA-N,2,1,0.402,13,971,437.25,4.137,5,0.413,0.68,1.0,0.5492940853951066,0.5569015146323076,0.6977588924679597,0.7800099376327874,0.6459911075320404
EOS-2-16846,Clc1cnc(-c2cncc(-c3nnc4cncc(Oc5cncc(Cl)c5)n34)c2)nc1,IGIYXODLOWPEIL-UHFFFAOYSA-N,2,1,0.412,2,491,437.25,4.137,5,0.413,0.71,1.0,0.6417569049414023,0.6969878692344595,0.5781474881776437,0.6728976766499897,0.6474474847508738
EOS-2-16847,FC(F)Oc1ccc(-c2nnc3cncc(OCc4noc(-c5nnc(Cl)o5)n4)n23)cc1,TWDPVZHGLFTDAV-UHFFFAOYSA-N,2,1,0.598,36,996,462.76,3.058,5,0.352,0.77,1.0,0.7115944760468782,0.7570762798985676,0.30804948255774106,0.35435371119183057,0.5327684874237544
EOS-2-16848,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4Cl)n23)cc1,GNMURENWGQAPDO-UHFFFAOYSA-N,2,1,0.826,48,17,437.233,5.279,4,0.411,0.79,1.0,0.9992375436913166,0.9937718456582825,0.9908333904461655,0.9942430265231992,0.9945214515797409
EOS-2-16849,FC(F)Oc1ccc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)cc1,CCVNONLRKHSSJM-UHFFFAOYSA-N,2,1,0.791,48,17,437.233,5.279,4,0.411,0.81,1.0,0.9950568843807827,0.9926153108080323,0.9893256116784319,0.9932235624700158,0.9925553423343156
EOS-2-16850,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4Cl)n23)cc1,VTZUYGJCSYYCGT-UHFFFAOYSA-N,2,1,0.775,48,17,437.233,5.279,4,0.411,0.79,1.0,0.9976098279761497,0.9940202864779659,0.9908419573709821,0.994328695771366,0.9942001918991159
EOS-2-16852,Fc1ncc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1Br,YPRWOMJZSIMONY-UHFFFAOYSA-N,2,1,0.377,96,680,437.232,4.41,5,0.389,0.81,1.0,0.3632033445274484,0.4659978754026455,0.8254746076348434,0.8235213487766432,0.619549294085395
EOS-2-16853,Fc1cc(Br)cc(-c2cncc3nnc(-c4ccc(-c5conn5)cc4)n23)c1,CFKGYRAYPPDVEF-UHFFFAOYSA-N,2,1,0.424,96,558,437.232,4.41,5,0.416,0.8,1.0,0.30530806661640736,0.3890754574737852,0.8344698786923446,0.8656020834761154,0.5986138715646632
EOS-2-16854,Cn1nc(-c2nnc(C(F)(F)F)o2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,RGLUYCSDNJDXKI-UHFFFAOYSA-N,2,1,0.494,36,706,462.779,4.039,5,0.393,0.71,1.0,0.7421441299431156,0.8570094578849976,0.7104208073469948,0.6179922554999657,0.7318916626687684
EOS-2-16855,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n(C(F)F)n2)o1,CLXYOFINVBPWLF-UHFFFAOYSA-N,2,1,0.456,22,706,462.779,4.326,5,0.38,0.59,1.0,0.5651857309300253,0.7699009663491193,0.6126636282639983,0.635700089096018,0.6458626036597903
EOS-2-16856,Cn1nc(-c2nnnn2C(F)F)cc1Oc1cncc2nnc(-c3ccc(F)cc3Cl)n12,FYNYHIQEACJZOX-UHFFFAOYSA-N,2,1,0.462,36,292,462.783,3.158,5,0.391,0.61,0.997,0.510468782125968,0.7069255020217943,0.39755671304228635,0.4927609485299157,0.5269279864299911
EOS-2-16857,Cn1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n(C(F)F)n2)n1,KJKOOKKAWVJHDM-UHFFFAOYSA-N,2,1,0.435,36,292,462.783,3.158,5,0.391,0.58,1.0,0.47829141251456375,0.7069340689466109,0.4227777397025564,0.49599924611061613,0.5260006168185868
EOS-2-16858,Fc1cnc(-c2nc(Cl)ccc2-c2nnc3cncc(-c4nc5ccc(F)cc5o4)n23)nc1,NGPPQIUBYFOMOR-UHFFFAOYSA-N,2,1,0.318,10,902,462.807,4.383,6,0.356,0.67,0.914,0.49298368857514907,0.6531766157220205,0.4934805702145158,0.6556267562195874,0.5738169076828181
EOS-2-16859,COc1cc(C#N)c(F)cc1-c1nnc2cncc(-c3cnc(-c4nnc(C)o4)cc3Cl)n12,LLDJVOFEVHFDNL-UHFFFAOYSA-N,2,1,0.333,50,985,462.832,3.885,5,0.39,0.61,0.921,0.5336937153039545,0.6050304982523473,0.6651360427660887,0.6413885271742855,0.6113121958741691
EOS-2-16860,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)n4)n23)cc1Cl,VURDIRBKRHAREF-UHFFFAOYSA-N,2,1,0.511,18,773,462.832,3.522,5,0.348,0.59,1.0,0.8335189500376945,0.7069426358714276,0.657134534987321,0.6759817695839901,0.7183944726201082
EOS-2-16861,FC(F)(F)COCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,FDTFFEPORMIHKP-UHFFFAOYSA-N,2,1,0.775,48,240,462.859,5.145,4,0.362,0.84,1.0,0.9787625933794805,0.9799962305530807,0.9893341786032486,0.9791566719210473,0.9818124186142143
EOS-2-16862,Cc1cc(=O)[nH]c(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)n1,FQDBLUKNGUXAFD-UHFFFAOYSA-N,2,1,0.336,31,599,462.861,1.705,5,0.395,0.5,0.505,0.3678980193269824,0.26550613391816874,0.06183606332670825,0.07684531560551025,0.19302138304434238
EOS-2-16863,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nncc(C)n1,CMWWDWYPAGMFPM-UHFFFAOYSA-N,2,1,0.356,51,924,462.861,2.378,5,0.367,0.55,0.963,0.4953481598245494,0.46600644232746213,0.04207216777465561,0.034970187101637996,0.25959923925707623
EOS-2-16864,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc(-c2cnc(=N)[nH]c2)c1=O,XZTAOSDYOAIGFL-UHFFFAOYSA-N,2,1,0.373,92,62,462.861,1.382,5,0.397,0.65,1.0,0.3330991707216778,0.15404187512850387,0.15439311904598726,0.16432218490850525,0.20146408745116853
EOS-2-16865,Cc1nc(=N)nc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)[nH]1,WNPKMBHOCHDSBN-UHFFFAOYSA-N,2,1,0.333,31,296,462.865,1.219,5,0.374,0.59,0.493,0.46805393735864576,0.29168665615790557,0.02459564114865328,0.021794256733602906,0.2015326228497019
EOS-2-16866,Oc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)cc1,WZPWBLNTRUUVCM-UHFFFAOYSA-N,2,1,0.727,79,590,462.868,5.661,5,0.35,0.82,1.0,0.9867726680830649,0.97519018573093,0.9628538139949284,0.9537728736892606,0.969647385374546
EOS-2-16867,COc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1F,IYRIZXYYUINLRU-UHFFFAOYSA-N,2,1,0.489,43,613,462.872,4.628,5,0.363,0.74,1.0,0.9259132341854568,0.8773216366253169,0.8524004523336303,0.8046741141799739,0.8650773593310944
EOS-2-16868,Oc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccc(F)nc1,ICEZUXLNQSAQAH-UHFFFAOYSA-N,2,1,0.511,35,111,462.872,4.368,5,0.374,0.58,1.0,0.9433640600370091,0.913139949283805,0.8409036392296622,0.837502570077445,0.8837275546569803
EOS-2-16869,COc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)nn1,CYCJUXWBIWLXSE-UHFFFAOYSA-N,2,1,0.693,43,372,462.872,4.628,5,0.363,0.79,1.0,0.9837142759235145,0.9804674114179974,0.8490936193543965,0.8254403399355768,0.9096789116578714
EOS-2-16870,COc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)ccn1,HWJQSDSGKJBOAI-UHFFFAOYSA-N,2,1,0.56,97,71,462.872,4.628,5,0.363,0.7,1.0,0.7998680693578233,0.9343687889795079,0.8457353848262628,0.7982660544171064,0.844559574395175
EOS-2-16871,COc1cncc(-c2cccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)c2)n1,MYBYDOGNOGVMEZ-UHFFFAOYSA-N,2,1,0.524,59,671,462.872,4.628,5,0.363,0.77,1.0,0.8998440819683367,0.8657991227468987,0.8045884449318073,0.780018504557604,0.8375625385511616
EOS-2-16872,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)ccc1=O,FORAJEQLWNDNNC-UHFFFAOYSA-N,2,1,0.578,97,71,462.872,3.924,5,0.393,0.68,1.0,0.6245545199095333,0.6675176478651224,0.8274364334178603,0.8235299157014598,0.7357596292234939
EOS-2-16873,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(Oc4cccc(Cl)c4)nc3)n12,IAMBPEKFLFLSBC-UHFFFAOYSA-N,2,1,0.5,11,275,462.872,4.788,5,0.343,0.77,1.0,0.7772942224659036,0.8956976903570695,0.7156209307107121,0.7423326022890823,0.7827363614556919
EOS-2-16874,O=c1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)n[nH]1,NIKXJMMQWVBQSX-UHFFFAOYSA-N,2,1,0.687,91,485,462.872,3.956,5,0.41,0.81,1.0,0.7970495510931396,0.7298248920567473,0.832807895277911,0.8434651497498458,0.8007868720444109
EOS-2-16875,COc1nc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccc1-c1ccccn1,UDJNYXMFXZAQHW-UHFFFAOYSA-N,2,1,0.43,49,703,462.872,4.628,5,0.363,0.73,0.999,0.8105852923034748,0.7570848468233843,0.7416472483037488,0.7182338427797957,0.7568878075526009
EOS-2-16876,COc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(Cl)nc5)c4)n23)cn1,HGVGWBHTRVWNAW-UHFFFAOYSA-N,2,1,0.524,97,91,462.872,4.628,5,0.34,0.73,1.0,0.8723785210060997,0.8632119114522651,0.8831043108765677,0.8355321773696114,0.863556730176136
EOS-2-16877,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ccc(F)nc1,VXFBNNQBGVCSMR-UHFFFAOYSA-N,2,1,0.5,97,83,462.872,4.628,5,0.34,0.65,1.0,0.9321927900760743,0.8878503872250018,0.8899664176547186,0.8414861901171955,0.8878739462682476
EOS-2-16878,COc1cc(-c2nnc3cncc(OCc4ncc(-c5ccccc5F)cn4)n23)ccc1Cl,VQQTVXQSJZZJBD-UHFFFAOYSA-N,2,1,0.482,97,210,462.872,4.628,5,0.363,0.75,1.0,0.9510314577479269,0.9507573161537934,0.8237612226715099,0.8067473099856076,0.8830743266397094
EOS-2-16879,COc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cc1F,NVRIZNFASJRODO-UHFFFAOYSA-N,2,1,0.523,97,137,462.872,4.628,5,0.363,0.66,1.0,0.6995750805290932,0.7483037488862998,0.8740747721197999,0.8395072304845452,0.7903652080049346
EOS-2-16880,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccc(F)nc1,OSPQUWSPBNIIGY-UHFFFAOYSA-N,2,1,0.523,97,83,462.872,4.628,5,0.34,0.64,1.0,0.8478085806318963,0.8658076896717154,0.859913645397848,0.8134380782674251,0.8467419984922212
EOS-2-16881,COc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccc2F)cn1,ASNSQXAFMRACOE-UHFFFAOYSA-N,2,1,0.523,97,91,462.872,4.628,5,0.34,0.73,1.0,0.9365276540333082,0.9207902131450895,0.8841837434034678,0.8375111370022617,0.8947531868960318
EOS-2-16882,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)cn4)n23)ccc1Cl,QVUKVGOHBQNWNX-UHFFFAOYSA-N,2,1,0.552,97,744,462.872,4.628,5,0.34,0.74,1.0,0.8821876499211843,0.9296569803303406,0.8805342334315674,0.835540744294428,0.8819799019943801
EOS-2-16883,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ncccc1C,PCSPQMQMPUMUTI-UHFFFAOYSA-N,2,1,0.392,13,703,462.872,5.15,5,0.357,0.73,0.998,0.7452196559522993,0.6969964361592763,0.6950774450003426,0.65006682201357,0.696840089781372
EOS-2-16884,Cc1ccc(-c2nnc3cncc(OCc4ncc(F)c(=O)[nH]4)n23)cc1-c1ccc(Cl)cc1,KITPNLAREGTMDE-UHFFFAOYSA-N,2,1,0.506,57,521,462.872,4.222,5,0.42,0.7,1.0,0.7270577753409636,0.677301076005757,0.7814063463779042,0.8175330683297923,0.7508245665136042
EOS-2-16885,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnc(C)nc1,PNKHRURMSALAAT-UHFFFAOYSA-N,2,1,0.506,13,209,462.872,5.15,5,0.357,0.66,1.0,0.854653553560414,0.8373312315811117,0.8778613528887671,0.817541635254609,0.8468469433212256
EOS-2-16886,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)cn1,YIIHXKFZFPQGCS-UHFFFAOYSA-N,2,1,0.641,59,294,462.872,4.628,5,0.363,0.8,1.0,0.9219981495442396,0.9170978685491056,0.8726869302994997,0.8175502021794256,0.8823332876430676
EOS-2-16887,OCc1ccc(-c2nnc3cncc(-c4cnc(Cl)c(OCc5cccc(F)c5)n4)n23)cc1,GOPSPXGGRDOIKC-UHFFFAOYSA-N,2,1,0.419,96,837,462.872,4.112,5,0.405,0.78,1.0,0.7715201151394695,0.8658162565965322,0.8064389006922075,0.8003649509971901,0.8110350558563498
EOS-2-16888,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cn1,NLZHDUUBZJDCIM-UHFFFAOYSA-N,2,1,0.641,59,294,462.872,4.628,5,0.363,0.81,1.0,0.9233602905900897,0.9188455212117058,0.8726954972243164,0.8175587691042423,0.8831150195325885
EOS-2-16889,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)cn1,VIQMYYYZXWMKEA-UHFFFAOYSA-N,2,1,0.477,59,332,462.872,4.628,5,0.363,0.8,1.0,0.8841152080049346,0.880003084092934,0.8441676375848125,0.7982746213419231,0.851640137756151
EOS-2-16890,COc1cncc(-c2cnc(OC)c(-c3cncc4nnc(-c5ccccc5Cl)n34)c2)c1F,YPPQLECVGXZGAD-UHFFFAOYSA-N,2,1,0.4,96,478,462.872,4.725,5,0.373,0.7,1.0,0.5235333424713865,0.605039065177164,0.827445000342677,0.772590980741553,0.6821520971831951
EOS-2-16891,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(Oc4ccccn4)nc3)n12,JQRFTGIHAZPSIO-UHFFFAOYSA-N,2,1,0.595,11,672,462.872,4.788,5,0.343,0.73,1.0,0.8932047152354191,0.9343773559043246,0.8007247618394902,0.7725995476663697,0.8502265951614009
EOS-2-16892,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2)ccc1=O,JDBZTVMHKQGSHP-UHFFFAOYSA-N,2,1,0.506,1,22,462.872,3.924,5,0.393,0.77,1.0,0.6105989993831814,0.6285381399492838,0.7918322938797889,0.7913182783907888,0.7055719279007606
EOS-2-16893,Cc1nccc(COc2cncc3nnc(-c4ccc(Oc5ccc(Cl)cc5)nc4)n23)c1F,KQMUMTQFSARCQH-UHFFFAOYSA-N,2,1,0.484,59,109,462.872,5.054,5,0.349,0.78,1.0,0.8723870879309163,0.8689774518538825,0.842557055719279,0.8025238160509903,0.8466113528887671
EOS-2-16894,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1cnccn1,VSKLDYBNNQEMEB-UHFFFAOYSA-N,2,1,0.675,59,383,462.872,4.628,5,0.363,0.72,1.0,0.9713779041875128,0.9171064354739222,0.8948238640257693,0.8524261531080803,0.9089335891988212
EOS-2-16895,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)ccc1-c1cccnn1,UMBOZMYMMAQMPN-UHFFFAOYSA-N,2,1,0.5,43,433,462.872,4.628,5,0.363,0.73,1.0,0.9384894798163251,0.902465560962237,0.8831128778013844,0.8488451785347132,0.8932282742786648
EOS-2-16896,Fc1cc(Oc2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)ccn1,IDYWVEAPKAOILF-UHFFFAOYSA-N,2,1,0.58,11,848,462.872,4.788,5,0.321,0.73,1.0,0.9510400246727435,0.9597354533616613,0.7791532451511205,0.7703293125899527,0.8650645089438695
EOS-2-16897,COc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)ncc1F,UWQYXIRJIXCVQX-UHFFFAOYSA-N,2,1,0.511,97,744,462.872,4.628,5,0.34,0.71,1.0,0.7389829346857651,0.7570934137482009,0.8539253649509972,0.8067558769104243,0.7891893975738469
EOS-2-16898,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2)cc1F,USWCVQVKDNFEJJ-UHFFFAOYSA-N,2,1,0.447,59,162,462.872,4.112,5,0.405,0.74,1.0,0.672400795010623,0.7298334589815639,0.872704064149133,0.8672554999657323,0.785548454526763
EOS-2-16899,COc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4ccc(F)nc4)n3)n12,DNJLYKKERBQASL-UHFFFAOYSA-N,2,1,0.468,1,436,462.872,4.628,5,0.34,0.74,1.0,0.7998766362826399,0.8744688506613666,0.8045970118566239,0.7628332533753683,0.8104439380439997
EOS-2-16900,COc1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1cccc(F)c1,SNTVWOFOUWALCS-UHFFFAOYSA-N,2,1,0.484,1,703,462.872,4.628,5,0.363,0.77,0.999,0.6359056952916181,0.6724093619354397,0.7340997875402645,0.7315382770200809,0.6934882804468507
EOS-2-16901,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)n4)n23)ccc1-c1cccnc1,SEQAQEZIIWKBDE-UHFFFAOYSA-N,2,1,0.54,97,83,462.872,4.628,5,0.34,0.69,1.0,0.8311459118634775,0.8373397985059283,0.8457439517510794,0.7960814885888562,0.8275777876773354
EOS-2-16902,COc1cc(-c2nnc3cncc(OCc4cccnc4-c4ccc(F)cn4)n23)ccc1Cl,HKJOKMUEPDBEJZ-UHFFFAOYSA-N,2,1,0.506,59,67,462.872,4.628,5,0.363,0.71,1.0,0.9720546912480296,0.9497207182509766,0.8046055787814406,0.7703378795147694,0.874179716948804
EOS-2-16903,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)nc1,AVPRXZDMRGLWHY-UHFFFAOYSA-N,2,1,0.757,43,96,462.872,4.628,5,0.363,0.8,1.0,0.984605236104448,0.9605835789185114,0.8642313755054486,0.8156397779453087,0.9062649921184291
EOS-2-16904,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnc5)n4)n23)ccc1Cl,MFHOSDVMPZOLGT-UHFFFAOYSA-N,2,1,0.552,97,67,462.872,4.628,5,0.363,0.72,1.0,0.8183983277362757,0.917115002398739,0.819940374203276,0.782057432663971,0.8343777842505654
EOS-2-16905,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)cc1F,HHZLZJDPIGAIEX-UHFFFAOYSA-N,2,1,0.523,97,801,462.872,4.628,5,0.363,0.7,1.0,0.7942824343773559,0.8305290932766775,0.8472859982180796,0.8046826811047906,0.8191950517442258
EOS-2-16906,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1ccc(Cl)cn1,OOPGMSWSGBLJLF-UHFFFAOYSA-N,2,1,0.489,1,61,462.872,4.628,5,0.34,0.69,1.0,0.895063737920636,0.837348365430745,0.8064474676170242,0.7576245630868343,0.8241210335138098
EOS-2-16907,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4-c4cncnc4)n23)ccc1Cl,NRWHNKMMZNDGDC-UHFFFAOYSA-N,2,1,0.553,97,67,462.872,4.628,5,0.363,0.69,1.0,0.9643187581385786,0.9613289013775616,0.9127201699677884,0.8846377904187512,0.93075140497567
EOS-2-16908,O=c1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)n[nH]1,LKIMKMGTIOVCFQ-UHFFFAOYSA-N,2,1,0.687,91,485,462.872,3.956,5,0.41,0.78,1.0,0.7998852032074566,0.7252672880542801,0.8328164622027278,0.8414947570420122,0.7998659276266191
EOS-2-16909,COc1cc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)ccc1-c1cnc(Cl)nc1,MQJKSICNJSYFOO-UHFFFAOYSA-N,2,1,0.63,97,83,462.872,4.628,5,0.34,0.7,1.0,0.9763124528819135,0.9358337331231581,0.8841923103282846,0.8355493112192447,0.9079719518881502
EOS-2-16910,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cc2)cc1=O,CFNUZSPGMAMOJE-UHFFFAOYSA-N,2,1,0.541,43,178,462.872,3.924,5,0.393,0.76,1.0,0.7511908025495169,0.7298420259063807,0.8394301281611952,0.8415033239668289,0.7904915701459804
EOS-2-16911,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccncn5)cc4)n23)cc1Cl,ACCSOAXBMLYPKL-UHFFFAOYSA-N,2,1,0.738,91,781,462.872,4.788,5,0.343,0.8,1.0,0.9502775683640601,0.9586902885340278,0.8766619834144336,0.847071825097663,0.9081754163525462
EOS-2-16912,Fc1ccccc1COc1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cn1,YELBPKQDJIRMPE-UHFFFAOYSA-N,2,1,0.529,1,71,462.872,4.532,5,0.351,0.71,1.0,0.7421526968679323,0.8268281817558769,0.8377852785963951,0.817567336029059,0.8060833733123158
EOS-2-16913,COc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)nc1,QOBZCXUXBIVNPV-UHFFFAOYSA-N,2,1,0.489,59,109,462.872,4.628,5,0.363,0.75,1.0,0.8454098416832294,0.8305376602014941,0.8819563429511342,0.8470803920224796,0.8512460592145843
EOS-2-16914,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cccnc5F)c4)n23)ccc1Cl,HQMBOMYSWYCQES-UHFFFAOYSA-N,2,1,0.484,97,91,462.872,4.628,5,0.34,0.71,1.0,0.9625368377767116,0.9226492358303063,0.8911229525049689,0.8505842642724968,0.9067233225961209
EOS-2-16915,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)cc1=O,DYKFQJKSIXLTPD-UHFFFAOYSA-N,2,1,0.707,43,96,462.872,3.924,5,0.393,0.72,1.0,0.8335275169625112,0.7913097114659722,0.8491021862792132,0.8488537454595299,0.8306982900418065
EOS-2-16916,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ccccn1,BKYHFIGXOSCHBO-UHFFFAOYSA-N,2,1,0.56,49,703,462.872,4.628,5,0.363,0.76,0.999,0.8744345829621,0.7950448906860393,0.7604259475018847,0.7233996984442465,0.7883262798985676
EOS-2-16917,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cccc(F)c1,CJJUYQMLNLOVQE-UHFFFAOYSA-N,2,1,0.484,97,83,462.872,4.628,5,0.363,0.68,1.0,0.847817147556713,0.8540281680487972,0.8165564389006922,0.7960900555136728,0.8286229525049688
EOS-2-16918,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1ccccc1F,FJYNUTBCLZQCJD-UHFFFAOYSA-N,2,1,0.478,97,83,462.872,4.628,5,0.363,0.74,1.0,0.872395654855733,0.8508841066410802,0.8237697895963265,0.7937427181139058,0.8351980673017614
EOS-2-16919,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1-c1ccccn1,LRLDOUFFWYIKIC-UHFFFAOYSA-N,2,1,0.56,49,703,462.872,4.628,5,0.363,0.75,0.999,0.8763964087451168,0.795053457610856,0.7604345144267014,0.7234082653690631,0.7888231615379343
EOS-2-16920,COc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c(OC)c2)n1,XFWSQDOUTDHCFN-UHFFFAOYSA-N,2,1,0.429,96,697,462.872,4.725,5,0.373,0.77,1.0,0.8524261531080803,0.8189637447741759,0.8614899595641149,0.8003735179220067,0.8333133438420944
EOS-2-16921,O=c1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)n[nH]1,ILHXYWKJZXPYQO-UHFFFAOYSA-N,2,1,0.56,91,273,462.872,3.956,5,0.41,0.75,1.0,0.8210712082790761,0.7656089370159688,0.8219964361592763,0.8355578781440615,0.8110586148995956
EOS-2-16922,CCOc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2)cn1,CLXXZTRNDVWYGW-UHFFFAOYSA-N,2,1,0.422,13,145,462.872,5.232,5,0.341,0.77,1.0,0.7360102117743814,0.8152199986292921,0.82548317455966,0.7844219039133713,0.7902838222191763
EOS-2-16923,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccc(F)nc1,SMTMJJFKNCIJRO-UHFFFAOYSA-N,2,1,0.489,97,83,462.872,4.628,5,0.34,0.66,1.0,0.9486241518744432,0.8824103899664176,0.8842008772531013,0.8415118908916456,0.8891868274964019
EOS-2-16924,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccc2F)ccc1=O,WXIXCVUPAOCTJP-UHFFFAOYSA-N,2,1,0.517,97,91,462.872,3.924,5,0.368,0.66,1.0,0.8311544787882942,0.752732849016517,0.8657648550476321,0.8540024672743473,0.8259136625316976
EOS-2-16925,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1cncnc1,YKPCFEZOMIJLGT-UHFFFAOYSA-N,2,1,0.511,97,83,462.872,4.628,5,0.363,0.7,1.0,0.9571910766911109,0.8957062572818861,0.914639161126722,0.8790178877390172,0.9116385957096841
EOS-2-16926,COc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)c2)nn1,ZPZAUGFQQHMGOK-UHFFFAOYSA-N,2,1,0.578,43,433,462.872,4.628,5,0.363,0.73,1.0,0.9563772188335276,0.9549551093139607,0.852409019258447,0.8175759029538757,0.8953293125899527
EOS-2-16927,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cc1=O,RJUHMTBJHLXAGV-UHFFFAOYSA-N,2,1,0.65,43,11,462.872,3.924,5,0.393,0.73,1.0,0.6874957165375917,0.6335240901925845,0.8409122061544788,0.8453241724350627,0.7518140463299294
EOS-2-16928,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1Oc1cccnc1,UEUPRLOWCMGRJU-UHFFFAOYSA-N,2,1,0.528,35,429,462.872,4.788,5,0.343,0.69,1.0,0.9670944417791789,0.957653690631211,0.8409207730792955,0.8314543211568776,0.8992808066616407
EOS-2-16929,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cn1,GSQUBZKMWBLSIA-UHFFFAOYSA-N,2,1,0.483,59,109,462.872,4.628,5,0.363,0.75,1.0,0.8589712836680146,0.8658248235213488,0.8165650058255088,0.7655489685422521,0.8267275203892811
EOS-2-16930,Fc1ccccc1Oc1ccc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)cc1,DVTGBOALIWSRRK-UHFFFAOYSA-N,2,1,0.565,11,881,462.872,4.788,5,0.321,0.78,1.0,0.9660835446508121,0.9713093687889796,0.7876173668699884,0.7800270714824207,0.8762593379480501
EOS-2-16931,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cn1,UNOOWOUWQUMDLP-UHFFFAOYSA-N,2,1,0.473,59,109,462.872,4.628,5,0.363,0.78,1.0,0.8546621204852306,0.8478000137070797,0.8199489411280927,0.7655575354670687,0.821992152696868
EOS-2-16932,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)cc1=O,DWNOQQJFYHPXCV-UHFFFAOYSA-N,2,1,0.494,43,470,462.872,3.924,5,0.393,0.73,1.0,0.5708227674593928,0.570685696662326,0.8086406003700911,0.8273336303200604,0.6943706737029676
EOS-2-16933,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccc2F)cn1,SRLQZFYWFKTDPT-UHFFFAOYSA-N,2,1,0.494,37,132,462.876,3.761,5,0.375,0.69,1.0,0.9031252141731204,0.932792474813241,0.5214258789664862,0.5362209581248715,0.7233911315194298
EOS-2-16934,N=c1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)c2)c[nH]1,OSSXMFHQXPDWFC-UHFFFAOYSA-N,2,1,0.469,84,672,462.876,3.47,5,0.399,0.63,1.0,0.6477794530875197,0.5757915838530601,0.7079021314508944,0.7017939140566103,0.6583167706120211
EOS-2-16935,Cc1nc(-c2ccc(Cl)cc2F)cc(-c2nnc3cncc(OCCc4cccnn4)n23)n1,KFXIYLFNPQHFLE-UHFFFAOYSA-N,2,1,0.448,44,531,462.876,3.761,5,0.375,0.73,1.0,0.7331574258104311,0.7393256116784319,0.397565279967103,0.4717891165787129,0.5854593585086698
EOS-2-16936,Cc1nc(-c2cc(F)ccn2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)n1,XTUMTGOXFPHZDY-UHFFFAOYSA-N,2,1,0.396,58,531,462.876,3.761,5,0.351,0.67,0.999,0.7056832979233775,0.609965046946748,0.3374083339044617,0.40219141936810365,0.5138120245356727
EOS-2-16937,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)ccn2)cn1,NPBZIQHXZDKQCJ-UHFFFAOYSA-N,2,1,0.473,75,530,462.876,3.761,5,0.375,0.65,1.0,0.7421612637927489,0.7571019806730176,0.462425467754095,0.4717976835035296,0.6083715989308478
EOS-2-16938,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ncc5F)n34)c2)n1,ZFCVCRJDOBQTIZ-UHFFFAOYSA-N,2,1,0.48,65,858,462.876,3.761,5,0.351,0.6,1.0,0.7886368309231718,0.7993454869440065,0.5845641148653279,0.572082105407443,0.6861571345349873
EOS-2-16939,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)c(Cl)n1,RBLGFXWUYIMJHA-UHFFFAOYSA-N,2,1,0.506,19,691,462.876,3.761,5,0.351,0.64,0.979,0.8311630457131108,0.7950620245356727,0.3713761908025495,0.462451168528545,0.6150131073949695
EOS-2-16940,FCc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,FXYNXLYBHDDVPS-UHFFFAOYSA-N,2,1,0.521,65,282,462.876,3.783,5,0.336,0.68,1.0,0.8210797752038929,0.8717788362689329,0.45200808717702695,0.4529590158316771,0.6494564286203826
EOS-2-16941,Cc1ncncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)ncn1,QLSRYIJLNGVCAE-UHFFFAOYSA-N,2,1,0.479,44,194,462.876,3.761,5,0.375,0.66,0.998,0.7687015968747858,0.7571105475978342,0.5876739085737783,0.5966863134809129,0.6775430916318278
EOS-2-16942,Cc1nc(F)ccc1-c1cc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)ccn1,NSAQDRVAOKQIQW-UHFFFAOYSA-N,2,1,0.462,75,525,462.876,3.761,5,0.277,0.7,1.0,0.8210883421287095,0.7993540538688233,0.3713847577273662,0.39300767596463576,0.5962087074223836
EOS-2-16943,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cc2)n1,SGTNBWVRNQDTHO-UHFFFAOYSA-N,2,1,0.534,15,320,462.876,3.761,5,0.351,0.65,1.0,0.9247566993352067,0.9296655472551573,0.4555804948255774,0.4654752929888287,0.6938695086011926
EOS-2-16944,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)n1,HCBYBKHOJHDYFH-UHFFFAOYSA-N,2,1,0.54,37,619,462.876,3.761,5,0.375,0.63,1.0,0.9343259543554245,0.9427986429991091,0.5147436776094853,0.5591546158590912,0.7377557227057775
EOS-2-16945,Cc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(-c2ccc(F)nc2)n1,PEEWJBHSDGDCQO-UHFFFAOYSA-N,2,1,0.489,87,307,462.876,3.761,5,0.351,0.66,0.999,0.8566410801178809,0.8408179699814955,0.4188455212117059,0.45296758275649374,0.6423180385168941
EOS-2-16946,CCc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)cn2)ncn1,VBODETNUNUQNQX-UHFFFAOYSA-N,2,1,0.412,55,283,462.876,3.972,5,0.349,0.59,1.0,0.7597834281406346,0.782725652799671,0.5720135700089096,0.5393307518333219,0.6634633506956342
EOS-2-16947,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)cn1,OUHLVDAHEJYHDV-UHFFFAOYSA-N,2,1,0.412,18,720,462.876,3.761,5,0.351,0.57,1.0,0.7056918648481941,0.6871958741690083,0.5315091494757042,0.5092094441779179,0.6084015831677061
EOS-2-16948,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)c2)n1,ARNWSFPATCJRRI-UHFFFAOYSA-N,2,1,0.459,87,858,462.876,3.761,5,0.351,0.63,0.998,0.8053594681653073,0.769909533273936,0.5039750531149338,0.502732849016517,0.6454942258926736
EOS-2-16949,N=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)n[nH]1,HEXPOWIEJBEUCK-UHFFFAOYSA-N,2,1,0.479,11,639,462.876,3.47,5,0.373,0.64,1.0,0.8913456925502021,0.7783907888424371,0.6157905558220821,0.6265677472414503,0.7280236961140428
EOS-2-16950,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc(-c2ccnc(F)c2)n1,MLGFJKMDJDYEHL-UHFFFAOYSA-N,2,1,0.454,58,132,462.876,3.761,5,0.351,0.59,1.0,0.7331659927352477,0.7741244602837366,0.4588787608799945,0.47769172777739705,0.610965235419094
EOS-2-16951,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccc2F)cn1,DWAGZSKCBDSNJP-UHFFFAOYSA-N,2,1,0.494,20,279,462.876,3.761,5,0.375,0.68,1.0,0.9139024055924885,0.9428072099239257,0.5284336234665205,0.5393393187581386,0.7311206394352683
EOS-2-16952,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)ccn2)n1,ILXMAANSXOLXLG-UHFFFAOYSA-N,2,1,0.568,37,672,462.876,3.761,5,0.375,0.61,1.0,0.8335360838873278,0.8408265369063121,0.5004454800904667,0.5492940853951066,0.6810255465698034
EOS-2-16953,Cc1ncncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccn1,AXZAMHRQVSKNDC-UHFFFAOYSA-N,2,1,0.479,75,819,462.876,3.761,5,0.351,0.63,0.998,0.7858697142073882,0.7913182783907888,0.5111113014872182,0.4960078130354328,0.646076776780207
EOS-2-16954,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ncn2)ccc1F,CUOPNGSIHVQTQW-UHFFFAOYSA-N,2,1,0.423,44,481,462.876,3.761,5,0.375,0.67,0.806,0.69958364745391,0.6382444657665685,0.4374271811390583,0.4560174079912275,0.5578181755876911
EOS-2-16955,N=c1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)c[nH]1,UWEHFWXAOOWTEV-UHFFFAOYSA-N,2,1,0.469,84,672,462.876,3.47,5,0.399,0.61,1.0,0.6477880200123364,0.5758001507778767,0.7079106983757111,0.7043639915016106,0.6589657151668836
EOS-2-16956,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)n1,PNHDPLRHOVLOTO-UHFFFAOYSA-N,2,1,0.533,84,749,462.876,3.761,5,0.375,0.65,1.0,0.8478257144815297,0.9188540881365225,0.46594647385374544,0.5194212185593859,0.6880118737577959
EOS-2-16957,N=c1ccc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)n[nH]1,JNBKATNHVOKWCT-UHFFFAOYSA-N,2,1,0.474,11,275,462.876,3.47,5,0.399,0.67,1.0,0.702496401891577,0.7527414159413337,0.587682475498595,0.6180008224247824,0.6652302789390719
EOS-2-16958,CCc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4F)n23)ccc1-c1ccnnc1,AUOSYVAMGJSEJM-UHFFFAOYSA-N,2,1,0.374,46,717,462.876,3.972,5,0.349,0.55,0.914,0.6135203207456651,0.5810859433897608,0.5583664587759578,0.5493026523199233,0.5755688438078267
EOS-2-16959,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnc2Cl)nn1,HRTKGNMIKUFPHP-UHFFFAOYSA-N,2,1,0.49,87,904,462.876,3.761,5,0.351,0.65,1.0,0.7715286820642862,0.8878589541498184,0.555496538962374,0.5591631827839079,0.6935118394900966
EOS-2-16960,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)ncc1F,KZJBRFGTUWHREL-UHFFFAOYSA-N,2,1,0.537,65,578,462.876,3.761,5,0.351,0.7,1.0,0.9259218011102734,0.9296741141799739,0.4337348365430745,0.4371187718456583,0.6816123809197451
EOS-2-16961,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)n1,QLUAZIQLNZOUKA-UHFFFAOYSA-N,2,1,0.433,18,531,462.876,3.761,5,0.351,0.67,1.0,0.780044205332054,0.7438489479816325,0.4799276951545473,0.5027414159413337,0.6266405661023918
EOS-2-16962,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cnn2)cc1F,ZHKKVOLPZALXTD-UHFFFAOYSA-N,2,1,0.49,65,778,462.876,3.761,5,0.375,0.53,1.0,0.8288242752381605,0.7827342197244876,0.5941419368103625,0.6058614899595641,0.7028904804331437
EOS-2-16963,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)nc1F,OHJZLQWNXULURN-UHFFFAOYSA-N,2,1,0.523,75,530,462.876,3.761,5,0.351,0.56,1.0,0.8263227331916935,0.79936262079364,0.4588873278048112,0.4466965937906929,0.6328173188952093
EOS-2-16964,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)n1,XYJARXULOLGBOF-UHFFFAOYSA-N,2,1,0.43,18,531,462.876,3.761,5,0.351,0.63,0.999,0.7178825988623124,0.6920961551641422,0.4263672812007402,0.4654838599136454,0.5754574737852101
EOS-2-16965,Cc1ncnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)n1,PXUYPGRYMJNWKQ-UHFFFAOYSA-N,2,1,0.505,15,921,462.876,3.761,5,0.375,0.64,1.0,0.8858799945171681,0.8540367349736139,0.4868840381056816,0.48069871838804745,0.6768748714961278
EOS-2-16966,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ncn2)cn1,IHMXIGWARQJUPP-UHFFFAOYSA-N,2,1,0.467,44,194,462.876,3.761,5,0.375,0.65,0.902,0.7360187786991982,0.7438575149064491,0.5555051058871907,0.5689808786238092,0.6510905695291618
EOS-2-16967,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)n1,WEHRWSPVGPJEOG-UHFFFAOYSA-N,2,1,0.414,44,531,462.876,3.761,5,0.351,0.68,1.0,0.7087074223836611,0.697005003084093,0.3937615653485025,0.42452539236515663,0.5559998457953533
EOS-2-16968,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ncc(F)cn1,BUFOMSJIKXQJPH-UHFFFAOYSA-N,2,1,0.411,46,717,462.876,3.972,5,0.373,0.61,0.983,0.7241535878281132,0.6382530326913851,0.33741690082927833,0.3866852854499349,0.5216272016996779
EOS-2-16969,Cc1nc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)n1,HMIGXEGGUUDOHU-UHFFFAOYSA-N,2,1,0.43,18,531,462.876,3.761,5,0.351,0.62,0.999,0.7270663422657803,0.7252758549790967,0.42278630662737304,0.46245973545336166,0.584397059831403
EOS-2-16970,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)cn2)n1,STVCIHPNPWVTRT-UHFFFAOYSA-N,2,1,0.51,65,981,462.876,3.761,5,0.351,0.59,1.0,0.8913542594750189,0.9071174011376876,0.48689260503049825,0.49276951545473235,0.6945334452744842
EOS-2-16971,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2F)n1,BDHVUWOWIHXYGP-UHFFFAOYSA-N,2,1,0.418,18,773,462.876,3.761,5,0.351,0.62,1.0,0.8263313001165101,0.7950705914604893,0.46595504077856215,0.4839712836680145,0.6428320540058939
EOS-2-16972,N=c1ccc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccn2)n[nH]1,ULAOXTRCRSVEMY-UHFFFAOYSA-N,2,1,0.568,11,749,462.876,3.47,5,0.399,0.68,0.999,0.8614556918648482,0.7161435131245288,0.6540504420533205,0.6613837296963881,0.7232583441847714
EOS-2-16973,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)cc2F)n1,INNZQCUGEIGMFW-UHFFFAOYSA-N,2,1,0.506,51,795,462.876,3.761,5,0.375,0.61,1.0,0.8932132821602358,0.8932132821602358,0.41136659584675483,0.44971215132615994,0.6618763278733466
EOS-2-16974,FCc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)n1,GFEYGXQRWFMSHS-UHFFFAOYSA-N,2,1,0.526,65,981,462.876,3.783,5,0.36,0.65,1.0,0.7657802755123021,0.8570180248098143,0.44482043725584264,0.47180625042834623,0.6348562470015764
EOS-2-16975,Cc1cnc(-c2cc(F)c(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cn1,YYEGQDSMQDBZSC-UHFFFAOYSA-N,2,1,0.495,65,530,462.876,3.761,5,0.375,0.62,1.0,0.8431995750805291,0.8508926735658968,0.5077187992598177,0.522642382290453,0.6811133575491741
EOS-2-16976,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)cn2)cn1,NHBLRBHSCISAIV-UHFFFAOYSA-N,2,1,0.495,87,795,462.876,3.761,5,0.351,0.69,1.0,0.8589798505928312,0.8773302035501337,0.3937701322733192,0.405121307655404,0.6338003735179221
EOS-2-16977,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)n1,CNADWUKBIXUZPN-UHFFFAOYSA-N,2,1,0.42,18,531,462.876,3.761,5,0.375,0.61,0.991,0.6995922143787267,0.6427335343705024,0.41885408813652253,0.4777002947022137,0.5597200328969913
EOS-2-16978,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)s6)o5)n34)nc2)n1,VJHARPUZRXCNKN-UHFFFAOYSA-N,2,1,0.25,99,601,462.886,3.414,6,0.387,0.68,0.929,0.06048248920567473,0.16941093824960593,0.0657083133438421,0.11920019189911589,0.10370048317455967
EOS-2-16979,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ccc5F)cc4)n23)ccc1Cl,HKJPWFFESTTYKY-UHFFFAOYSA-N,2,1,0.603,57,798,462.887,6.277,5,0.308,0.73,1.0,0.977768830100747,0.9870382427523816,0.9862072510451648,0.9887002261668152,0.9849286375162771
EOS-2-16982,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cc2)cc1,CNNFCUMOXNVTGB-UHFFFAOYSA-N,2,1,0.765,83,497,462.887,6.011,5,0.31,0.76,1.0,0.992469673086149,0.997652662600233,0.9753700911520801,0.9828918511411144,0.9870960694948941
EOS-2-16983,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)cc1F,OBSAHXHBGQHOBG-UHFFFAOYSA-N,2,1,0.75,57,485,462.887,6.011,5,0.31,0.81,1.0,0.9732369268727298,0.9895483517236653,0.978000137070797,0.9843653622095813,0.9812876944691934
EOS-2-16984,Fc1ccc(F)c(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1,KENHWFIVXXKPDM-UHFFFAOYSA-N,2,1,0.797,83,497,462.887,6.011,5,0.31,0.81,1.0,0.9982095127133165,0.9999657323007334,0.9773747515591803,0.984579535329998,0.9900323829758071
EOS-2-16985,Fc1cccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)c1,OMLUZYNFUJKPJO-UHFFFAOYSA-N,2,1,0.781,57,485,462.887,6.011,5,0.31,0.8,1.0,0.9654838599136454,0.9858131725035981,0.9763124528819135,0.9835086697279145,0.9777795387567678
EOS-2-16986,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c1,CULKAPBDYWBXKK-UHFFFAOYSA-N,2,1,0.694,83,497,462.887,6.011,5,0.31,0.77,1.0,0.995613734493866,0.9982694811870331,0.9767836337468302,0.9843739291343979,0.9887601946405319
EOS-2-16987,COc1cc(-c2ccccc2Cl)ccc1-c1cncc2nnc(-c3ccc(C(F)F)cc3)n12,QUNYYZLZRZLJJQ-UHFFFAOYSA-N,2,1,0.369,83,472,462.887,6.725,5,0.291,0.8,1.0,0.5517013912685902,0.7483123158111165,0.9894798163251319,0.9891885408813652,0.819670516071551
EOS-2-16989,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)cc1,SMVUZOBQXFXCDK-UHFFFAOYSA-N,2,1,0.908,83,497,462.887,6.011,5,0.31,0.83,1.0,0.9994260160372832,0.9992546775409499,0.9791309711465972,0.984810842300048,0.9906556267562195
EOS-2-16990,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)cc1,XCGOHCFDFPTMRN-UHFFFAOYSA-N,2,1,0.908,83,497,462.887,6.011,5,0.31,0.82,1.0,0.9993831814131999,0.9993403467891165,0.9791395380714139,0.9848194092248647,0.9906706188746488
EOS-2-16991,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)c1,YLWZUJQKYBTKCH-UHFFFAOYSA-N,2,1,0.803,57,497,462.887,6.011,5,0.31,0.77,1.0,0.9916472483037488,0.9970958124871496,0.9780087039956137,0.9841426221643479,0.987723596737715
EOS-2-16992,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cc2)cc1,JLNWOZPPSULJGO-UHFFFAOYSA-N,2,1,0.743,83,497,462.887,6.011,5,0.31,0.79,1.0,0.992315468439449,0.9968645055170996,0.976792200671647,0.9843824960592146,0.9875886676718525
EOS-2-16993,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cc1F,PBTWWTHGXLSSKS-UHFFFAOYSA-N,2,1,0.733,57,485,462.887,6.011,5,0.31,0.8,1.0,0.9643273250633952,0.9852049208416147,0.9763210198067301,0.9838684805702145,0.9774304365704887
EOS-2-16994,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c2)cc1F,ZOYUYSWELJTVNS-UHFFFAOYSA-N,2,1,0.724,57,485,462.887,6.011,5,0.31,0.78,1.0,0.9631622232883285,0.9870468096771983,0.9765694606264136,0.9838770474950311,0.9776638852717429
EOS-2-16995,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cc1,SWYLQEKYWRFPEA-UHFFFAOYSA-N,2,1,0.817,57,485,462.887,6.011,5,0.31,0.8,1.0,0.9858560071276814,0.9915358782811322,0.9777002947022136,0.9841511890891645,0.984810842300048
EOS-2-16996,COc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4nnc(C)o4)cc3)n12,YSVKNSJEQLHBDQ-UHFFFAOYSA-N,2,1,0.578,91,889,462.897,4.433,5,0.35,0.77,1.0,0.8658333904461655,0.8632204783770817,0.5350301555753547,0.44010006168185867,0.6760460215201152
EOS-2-16997,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cc(C)no1,FOZWQVQLLYJNIN-UHFFFAOYSA-N,2,1,0.516,15,848,462.897,4.433,5,0.327,0.72,1.0,0.7147556713042287,0.6335326571174011,0.5077273661846343,0.4085652114317045,0.5661452265094922
EOS-2-16998,COc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)c(C)n3)n12,PMUGVBXIEZXLGV-UHFFFAOYSA-N,2,1,0.455,49,159,462.897,4.433,5,0.35,0.69,1.0,0.6815160030155575,0.5758087177026935,0.5451733945582894,0.44972071825097665,0.5630547083818792
EOS-2-16999,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ccc4OC)n23)ccc1-c1ncco1,PEVONDQGUAEWBB-UHFFFAOYSA-N,2,1,0.417,49,348,462.897,4.645,5,0.344,0.65,0.452,0.5388253032691385,0.520038037146186,0.4188626550613392,0.34815982454937977,0.4564714550065109
EOS-2-17000,COc1cc(-c2nnc3cncc(OCc4ccc(-c5c(C)noc5C)cn4)n23)ccc1Cl,APZLGIODMGZQSN-UHFFFAOYSA-N,2,1,0.547,4,67,462.897,4.699,5,0.358,0.73,1.0,0.6106075663079981,0.667526214789939,0.5684839969844425,0.4432869577136591,0.5724761839490097
EOS-2-17001,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccsc5)n4)n23)ccc1Cl,NEQICGPEJPXUBF-UHFFFAOYSA-N,2,1,0.535,4,71,462.897,5.158,5,0.358,0.75,1.0,0.8361318621067781,0.9049242683846207,0.8983363032006031,0.9056353231444041,0.8862569392091015
EOS-2-17002,N#Cc1ccsc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,XQLDAWRDNNNIBK-UHFFFAOYSA-N,2,1,0.58,59,389,462.897,5.158,5,0.358,0.77,1.0,0.9540127475841272,0.9517339455828936,0.9081197313412378,0.9101072578987047,0.9309934206017408
EOS-2-17003,N#Cc1cc(F)cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)c1,ZIZWLLDWQXVAEE-UHFFFAOYSA-N,2,1,0.457,46,160,462.897,5.158,5,0.358,0.67,1.0,0.6566033856486876,0.7345881022548146,0.9071688026865876,0.9209786854910561,0.8048347440202864
EOS-2-17004,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)s5)cc4)n23)ccc1Cl,SWPNKFQTXOZZJP-UHFFFAOYSA-N,2,1,0.575,1,326,462.897,5.158,5,0.358,0.72,1.0,0.9517596463573436,0.9517425125077102,0.9332122541292578,0.9261702419299568,0.9407211637310671
EOS-2-17005,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nccn1C,NLMCQIQTAWCYJE-UHFFFAOYSA-N,2,1,0.432,49,551,462.901,3.265,5,0.339,0.7,1.0,0.5964892742101295,0.4032879857446371,0.2244791309711466,0.17792646151737374,0.3505457131108217
EOS-2-17006,COc1cncc(CCOc2cncc3nnc(-c4cccc(-c5ncc(Cl)n5C)c4)n23)n1,CUNPKAUPMWWFIU-UHFFFAOYSA-N,2,1,0.477,20,921,462.901,3.265,5,0.363,0.66,1.0,0.5566445068878075,0.5428003563840724,0.21079775203892812,0.18355493112192448,0.3734493866081831
EOS-2-17007,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cn(C)nn1,WUWXIGXZMJIBEV-UHFFFAOYSA-N,2,1,0.51,15,619,462.901,3.265,5,0.363,0.71,1.0,0.4880491398807484,0.5153861969707354,0.4113751627715715,0.35138098828044684,0.44154787197587547
EOS-2-17008,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ccnn1C,CPFMPWZMOCPBHH-UHFFFAOYSA-N,2,1,0.475,72,482,462.901,3.265,5,0.363,0.67,1.0,0.5517099581934068,0.515394763895552,0.3228702624905764,0.25872112946336784,0.41217402851072577
EOS-2-17009,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cnnn1C,XLOHCLVOTVIDBU-UHFFFAOYSA-N,2,1,0.51,15,638,462.901,3.265,5,0.363,0.65,1.0,0.49535672674936604,0.497498457953533,0.4227948735521897,0.3644027140017819,0.4450131930642176
EOS-2-17010,COc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nn1C,LKXSOBXPCXGJNF-UHFFFAOYSA-N,2,1,0.505,58,578,462.901,3.265,5,0.339,0.66,1.0,0.515420464670002,0.5246299088479199,0.3117418271537249,0.24664176547186623,0.39960849153587824
EOS-2-17011,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnnn1C,LSXGDFGUGFNSKN-UHFFFAOYSA-N,2,1,0.522,15,638,462.901,3.265,5,0.339,0.64,1.0,0.4953652936741827,0.4925382084846823,0.42637584812555684,0.3513895552052635,0.44141722637242137
EOS-2-17012,COc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(C)cn5)nn4C)n23)ccc1Cl,JYQNBVKZDSZJLA-UHFFFAOYSA-N,2,1,0.452,36,67,462.901,3.531,5,0.377,0.63,1.0,0.4904136111301487,0.6531851826468371,0.2828712905215544,0.22947364813926394,0.41398593310945103
EOS-2-17013,COc1ncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1nccn1C,XYTZJUAVRVQYPE-UHFFFAOYSA-N,2,1,0.474,65,184,462.901,3.265,5,0.363,0.65,1.0,0.5361267219518882,0.43544822150640805,0.26401548900006855,0.21759989034336236,0.36329758070043183
EOS-2-17014,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nncn1C,VOIJKTKTAWSQIU-UHFFFAOYSA-N,2,1,0.534,15,187,462.901,3.265,5,0.339,0.71,1.0,0.6022119799876636,0.492546775409499,0.36000788157083136,0.3006647933657734,0.43885785758344187
EOS-2-17015,OCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)cn1,FFIVWZHRTNKZGR-UHFFFAOYSA-N,2,1,0.465,87,468,462.901,2.712,5,0.374,0.69,1.0,0.42637584812555684,0.4704098416832294,0.2755208690288534,0.29756356658213967,0.3674675313549448
EOS-2-17016,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccnn1C,DTDHFZNSYQKVKJ-UHFFFAOYSA-N,2,1,0.473,49,773,462.901,3.265,5,0.339,0.63,1.0,0.45852751696251115,0.3748457953533,0.28287985744637106,0.215081214447262,0.33283359605236107
EOS-2-17017,COc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3cc(Cl)cnn3)n12,FYKXFZAGSKIMLE-UHFFFAOYSA-N,2,1,0.474,15,771,462.901,3.265,5,0.363,0.65,1.0,0.46081488588856145,0.4307278459324241,0.360016448495648,0.31033685148379136,0.39047400795010623
EOS-2-17018,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1nccn1C,LPVOHTWBXRJVPF-UHFFFAOYSA-N,2,1,0.42,49,551,462.901,3.265,5,0.339,0.65,1.0,0.5388338701939552,0.3890840243986019,0.1515060653827702,0.1259080940305668,0.3013330135014735
EOS-2-17019,COCCn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)c1,WTVQQTDLVLGUPJ-UHFFFAOYSA-N,2,1,0.423,55,823,462.901,3.324,5,0.346,0.67,0.997,0.4518795833047769,0.36035055856349807,0.36388013158796517,0.3353522719484614,0.37786563635117537
EOS-2-17020,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nccn1C,OLXQYWTUTJKXFM-UHFFFAOYSA-N,2,1,0.423,65,551,462.901,3.265,5,0.363,0.66,1.0,0.6106161332328147,0.41269446919333835,0.21080631896374477,0.1779350284421904,0.35301298745802207
EOS-2-17021,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cnc(C)n1C,RRGCYKIPCYMADI-UHFFFAOYSA-N,2,1,0.443,51,196,462.901,3.531,5,0.377,0.67,1.0,0.6274587074223836,0.4792337742443972,0.3007504626139401,0.20605167569049415,0.4033736549928038
EOS-2-17022,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncnn1C,JIFALANLADTDGS-UHFFFAOYSA-N,2,1,0.531,15,771,462.901,3.265,5,0.363,0.71,1.0,0.6022205469124803,0.5105972859982181,0.3488623123843465,0.2944452059488726,0.43903133781097936
EOS-2-17023,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1nncn1C,FLJRXDMPXDESBD-UHFFFAOYSA-N,2,1,0.538,15,771,462.901,3.265,5,0.363,0.67,1.0,0.6217188677952162,0.5382855870056884,0.30459701185662397,0.26486361455691865,0.43236627030361185
EOS-2-17024,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1nncn1C,GNXXTZSCAYWORB-UHFFFAOYSA-N,2,1,0.533,15,771,462.901,3.265,5,0.363,0.64,1.0,0.5906551984099787,0.5336594476046879,0.3080580494825577,0.27962442601603726,0.4279992803783154
EOS-2-17025,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,AGOFHRVCENAZKM-UHFFFAOYSA-N,2,1,0.522,15,771,462.901,3.265,5,0.363,0.69,1.0,0.6106247001576314,0.5291703790007539,0.3046055787814406,0.2648721814817353,0.42731820985539026
EOS-2-17026,COCCn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cn1,RSWHAOXSKWRZGJ-UHFFFAOYSA-N,2,1,0.5,36,534,462.901,3.324,5,0.346,0.7,1.0,0.49787540264546637,0.5758172846275101,0.2935371119183058,0.31336097594407514,0.4201476937838394
EOS-2-17027,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cc1CO,YLJHHTPKYQZJEA-UHFFFAOYSA-N,2,1,0.475,87,142,462.901,2.749,5,0.367,0.55,1.0,0.4102357617709547,0.4079483928449044,0.39757384689191966,0.36119868412034817,0.3942391714070318
EOS-2-17028,Cn1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cc1CO,XBGXRARCTRGIFR-UHFFFAOYSA-N,2,1,0.462,20,279,462.901,2.749,5,0.392,0.62,1.0,0.435088410664108,0.4879634706325817,0.2568107052292509,0.2559882804468508,0.35896271674319785
EOS-2-17029,COc1cc(-c2nnc3cncc(OCc4ncc(-c5cc(C)n(C)n5)cn4)n23)ccc1Cl,HIUBGBXZQJUOBM-UHFFFAOYSA-N,2,1,0.451,51,946,462.901,3.531,5,0.377,0.68,1.0,0.5104773490507847,0.6531937495716538,0.35263175930368035,0.2619251593448016,0.4445570043177301
EOS-2-17030,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cn(C)nn1,XYFXRZRLTFPERU-UHFFFAOYSA-N,2,1,0.522,15,669,462.901,3.265,5,0.339,0.74,1.0,0.5029555890617504,0.5200466040710027,0.41517031046535535,0.33536083887327806,0.4433833356178466
EOS-2-17031,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(Cl)c(C(C)(C)O)c4)n23)c1,UGWACXQETGNLBH-UHFFFAOYSA-N,2,1,0.523,61,941,462.901,3.655,5,0.42,0.73,1.0,0.5388424371187719,0.6335412240422178,0.6706103077239394,0.5720906723322596,0.6037711603042972
EOS-2-17032,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1c[nH]c(C)n1,ZSGCYBNGLGRGDN-UHFFFAOYSA-N,2,1,0.449,49,501,462.901,3.563,5,0.39,0.54,0.986,0.5622301418682749,0.4792423411692139,0.2282057432663971,0.17794359536700705,0.36190545541772323
EOS-2-17033,COCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)n1C,KAGLQINKNPVUML-UHFFFAOYSA-N,2,1,0.548,36,734,462.901,3.361,5,0.362,0.68,1.0,0.4904221780549654,0.547709204304023,0.19320128846549242,0.22040127475841273,0.36293348639572337
EOS-2-17034,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cn(C)cn1,BCJYPBKLBFHQBJ-UHFFFAOYSA-N,2,1,0.438,49,773,462.901,3.265,5,0.363,0.62,0.948,0.5761428277705435,0.4832944966074978,0.2828884243711877,0.2294822150640806,0.3929519909533274
EOS-2-17035,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cn(C)cn1,YKJRTOGOQDMQJP-UHFFFAOYSA-N,2,1,0.452,49,773,462.901,3.265,5,0.339,0.58,1.0,0.5542714687135906,0.47465046946747996,0.28645226509492155,0.217608457268179,0.38324566513604275
EOS-2-17036,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cnc(C)n1C,IKDWREACKKOKJN-UHFFFAOYSA-N,2,1,0.454,36,224,462.901,3.531,5,0.377,0.65,1.0,0.5005140154890001,0.4660150092522788,0.3411520800493455,0.2409533273935988,0.3871586080460558
EOS-2-17037,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccnc4Cl)n23)c(OC)c1,BFRWUJGRTMNCRG-UHFFFAOYSA-N,2,1,0.427,36,375,462.901,3.706,5,0.337,0.67,1.0,0.5104859159756014,0.4307364128572408,0.33417003632376124,0.2826057158522377,0.3894995202522103
EOS-2-17038,OCCn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)n1,PIOIGMMTJFKTME-UHFFFAOYSA-N,2,1,0.528,15,889,462.901,2.712,5,0.35,0.71,1.0,0.605090466726064,0.5810945103145775,0.242649578507299,0.2735247755465698,0.4255898327736276
EOS-2-17039,OCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cn1,CMRAYKJSRULWBN-UHFFFAOYSA-N,2,1,0.5,65,468,462.901,2.712,5,0.374,0.7,1.0,0.4014803646083202,0.4354567884312247,0.32287882941539303,0.3353694057980947,0.37379634706325815
EOS-2-17040,OCCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)n1,SFKKJEZBWBYCAD-UHFFFAOYSA-N,2,1,0.607,84,73,462.901,2.712,5,0.374,0.7,1.0,0.48306318963744777,0.5428089233088891,0.1932098553903091,0.26488074840655196,0.37099067918579953
EOS-2-17041,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncnn1C,JWLRDCDODMZBMW-UHFFFAOYSA-N,2,1,0.533,15,771,462.901,3.265,5,0.363,0.7,1.0,0.6330529093276678,0.5569100815571243,0.29733225961208964,0.2496573230073333,0.4342381433760537
EOS-2-17042,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncnn1C,JTFBMMYXOPEXCP-UHFFFAOYSA-N,2,1,0.495,15,771,462.901,3.265,5,0.339,0.66,1.0,0.6163731067096155,0.5246384757727366,0.26779350284421904,0.22617538208484683,0.40874511685285453
EOS-2-17043,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nncn1C,VNNUMSDWAVPPKQ-UHFFFAOYSA-N,2,1,0.521,15,375,462.901,3.265,5,0.363,0.69,1.0,0.6022291138372969,0.4792509080940306,0.35635837159893086,0.3133695428688918,0.43780198409978754
EOS-2-17044,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1ccnn1C,WDSJBMXHDUQMAW-UHFFFAOYSA-N,2,1,0.475,20,771,462.901,3.265,5,0.363,0.65,1.0,0.47570420121993007,0.4354653553560414,0.33022068398327736,0.26193372626961825,0.37583099170721673
EOS-2-17045,COc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)c1,IDKRFDVZULLPPB-UHFFFAOYSA-N,2,1,0.458,95,493,462.901,3.265,5,0.339,0.72,1.0,0.3864197107806182,0.28631519429785485,0.37139332465218283,0.3164279350284422,0.3401390411897745
EOS-2-17046,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nc(C)cn1C,BDJNANPLBCFCPG-UHFFFAOYSA-N,2,1,0.442,7,248,462.901,3.531,5,0.377,0.67,1.0,0.497883969570283,0.4571568089918443,0.2935456788431225,0.20887019395517786,0.3643641628401069
EOS-2-17047,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1OC,VCCYSUKUKYCKIB-UHFFFAOYSA-N,2,1,0.5,4,718,462.901,3.706,5,0.36,0.67,1.0,0.38858714275923517,0.48330306353231445,0.2568192721540676,0.2261839490096635,0.3387233568638202
EOS-2-17048,COc1cnccc1CCOc1cncc2nnc(-c3cc(-c4cncc(Cl)c4)n(C)n3)n12,XNQVHVRRLUTMPY-UHFFFAOYSA-N,2,1,0.418,95,493,462.901,3.265,5,0.363,0.68,0.992,0.4238914399287232,0.3556301829895141,0.330229250908094,0.2884055239531218,0.3495390994448633
EOS-2-17049,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2C)cn1,BJXNBEZICHJGGC-UHFFFAOYSA-N,2,1,0.42,95,235,462.901,3.265,5,0.339,0.74,1.0,0.3450414639161127,0.3169076828181756,0.2391714070317319,0.19704783770817627,0.2745420978685491
EOS-2-17050,Cn1nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nc1CO,GZHWSMUNQLHVBQ-UHFFFAOYSA-N,2,1,0.56,15,438,462.901,2.749,5,0.367,0.66,1.0,0.5029641559865671,0.4975070248783497,0.17996538962374067,0.20887876087999452,0.347328832842163
EOS-2-17051,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cncn1C,AVZLNGXNZZNEBK-UHFFFAOYSA-N,2,1,0.454,20,279,462.901,3.265,5,0.363,0.71,1.0,0.6274672743472003,0.4879720375573984,0.3563669385237475,0.28261428277705436,0.43860513330135015
EOS-2-17052,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,ITEKKBZMOLRZAH-UHFFFAOYSA-N,2,1,0.549,15,638,462.901,3.265,5,0.339,0.66,1.0,0.4287488862997738,0.4079569597697211,0.4298711534507573,0.3543622781166472,0.4052348194092249
EOS-2-17053,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1nc(C)nn1C,NXAYJPXONSVXLL-UHFFFAOYSA-N,2,1,0.484,4,718,462.901,3.531,5,0.353,0.64,1.0,0.4350969775889247,0.42621307655404017,0.22821431019121377,0.17795216229182373,0.31686913165650055
EOS-2-17054,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cncn1C,MMKXVUUYAASZLP-UHFFFAOYSA-N,2,1,0.469,15,771,462.901,3.265,5,0.363,0.73,1.0,0.5817284627510109,0.5154033308203687,0.34887087930916316,0.279632992940854,0.4314089164553492
EOS-2-17055,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1nncn1C,ZKXKBGNTZSFJMX-UHFFFAOYSA-N,2,1,0.583,49,308,462.901,3.265,5,0.363,0.73,1.0,0.5594373243780413,0.46602357617709544,0.21736858337331233,0.22040984168322938,0.3658098314029196
EOS-2-17056,COc1cc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1-c1cn(C)cn1,YPNMDVLOGPDERH-UHFFFAOYSA-N,2,1,0.506,15,361,462.901,3.265,5,0.339,0.66,1.0,0.7270749091905969,0.6050476321019806,0.39758241381673637,0.2854927695154547,0.5037994311561921
EOS-2-17057,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncnn1C,LSKSOZATYDNQSG-UHFFFAOYSA-N,2,1,0.528,15,771,462.901,3.265,5,0.339,0.74,1.0,0.6190545541772325,0.5106058529230347,0.352640326228497,0.282622849701871,0.4412308957576588
EOS-2-17058,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccnn1C,HSZRXZKHMDQBKZ-UHFFFAOYSA-N,2,1,0.464,49,773,462.901,3.265,5,0.363,0.64,0.999,0.4608234528133781,0.370022616681516,0.2790076074292372,0.22619251593448017,0.33401154821465284
EOS-2-17059,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cn(C)nc5C)cn4)n23)ccc1Cl,OEIIKPMZTMFWMO-UHFFFAOYSA-N,2,1,0.467,92,399,462.901,3.531,5,0.377,0.71,1.0,0.4657922692070454,0.5706942635871428,0.38277876773353436,0.29134397916523885,0.4276523199232404
EOS-2-17060,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2)c(=O)n1C,VHAVFFCEXDSRON-UHFFFAOYSA-N,2,1,0.551,15,320,462.901,2.56,5,0.382,0.55,1.0,0.5439483243095059,0.6050561990267973,0.11035912548831471,0.1618806113357549,0.35531106504009324
EOS-2-17061,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cnc(C)n1C,YFWQDQLBGKIZRD-UHFFFAOYSA-N,2,1,0.438,7,248,462.901,3.531,5,0.377,0.68,1.0,0.5465269686793228,0.47925947501884725,0.3488794462339799,0.24096189431841547,0.4039069460626414
EOS-2-17062,COc1cc(-c2nnc3cncc(OCc4c(-c5cncc(C)n5)ncn4C)n23)ccc1Cl,NDTBISJJUPIVJF-UHFFFAOYSA-N,2,1,0.448,7,67,462.901,3.531,5,0.377,0.65,1.0,0.5708313343842094,0.6532023164964704,0.28998183811938866,0.24665033239668288,0.44016645534918786
EOS-2-17063,CCOc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cncn1C,QZGVGTHPJOAEAR-UHFFFAOYSA-N,2,1,0.412,46,62,462.901,3.613,5,0.361,0.6,0.828,0.4732369268727298,0.37485436227811664,0.3341786032485779,0.2735333424713865,0.3639508087177027
EOS-2-17064,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cnn(C)c1,YKWUWNZHXLDKHE-UHFFFAOYSA-N,2,1,0.463,20,279,462.901,3.265,5,0.363,0.58,1.0,0.5235419093962032,0.5200551709958193,0.382787334658351,0.3038088547734905,0.432548317455966
EOS-2-17065,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncnn1C,PAYGRCQCOTURMW-UHFFFAOYSA-N,2,1,0.526,15,729,462.901,3.265,5,0.339,0.67,1.0,0.6359142622164348,0.5154118977451854,0.3638886985127818,0.29445377287368923,0.45241715783702274
EOS-2-17066,COc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccn(C)c5Cl)n34)cn2)n1,JLGRGNLWQUPCLX-UHFFFAOYSA-N,2,1,0.511,65,981,462.901,3.265,5,0.363,0.57,1.0,0.6599787540264547,0.6239205674730999,0.3792063600849839,0.30381742169830717,0.4917307758207114
EOS-2-17067,COc1cc(-c2nnc3cncc(OCc4cnc(C)nc4-c4ccnn4C)n23)ccc1Cl,IYOYRSSJYXSBEQ-UHFFFAOYSA-N,2,1,0.484,16,67,462.901,3.531,5,0.377,0.71,1.0,0.5439568912343226,0.5911092454252621,0.34484442464532933,0.2707062572818861,0.4376542046467
EOS-2-17068,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccn(C)n1,QLFFSKFQLAEHGY-UHFFFAOYSA-N,2,1,0.42,49,954,462.901,3.265,5,0.339,0.64,1.0,0.4470135700089096,0.412703036118155,0.19665375916660954,0.1564834487012542,0.3032134534987321
EOS-2-17069,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccn(C)n1,CAAKROIBRLEKKT-UHFFFAOYSA-N,2,1,0.427,49,773,462.901,3.265,5,0.363,0.61,0.998,0.4929922554999657,0.4032965526694538,0.2678020697690357,0.21508978137207868,0.3447951648276335
EOS-2-17070,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncn(C)n1,JSSILXVWRCOEJY-UHFFFAOYSA-N,2,1,0.534,15,729,462.901,3.265,5,0.339,0.69,1.0,0.5906637653347955,0.556918648481941,0.36389726543759854,0.2855013364402714,0.44924525392365156
EOS-2-17071,COc1cnc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cn(C)cn4)nc3)n12,RJKHQMPKSSMEJJ-UHFFFAOYSA-N,2,1,0.474,65,823,462.901,3.265,5,0.339,0.61,1.0,0.6446782263038859,0.6532108834212871,0.37535124391748337,0.2766345692550202,0.48746873072441915
EOS-2-17072,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncn(C)n1,LATGTZVIDRBVRY-UHFFFAOYSA-N,2,1,0.556,15,771,462.901,3.265,5,0.363,0.65,1.0,0.6217274347200329,0.605064765951614,0.2973408265369063,0.24097046124323213,0.44127587211294633
EOS-2-17073,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccn(C)n1,MYPQVEXYDWNILX-UHFFFAOYSA-N,2,1,0.441,49,773,462.901,3.265,5,0.339,0.59,1.0,0.4855818655335481,0.40330511959427046,0.2712631073949695,0.2060602426153108,0.3415525837845247
EOS-2-17074,CCOc1cncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nn2C)c1,VUNRUSXGFXOILF-UHFFFAOYSA-N,2,1,0.39,95,694,462.901,3.613,5,0.361,0.67,1.0,0.3609759440751148,0.3118531971763416,0.397590980741553,0.3513981221300802,0.3554545610307724
EOS-2-17075,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,MGTKETBTQMZQHR-UHFFFAOYSA-N,2,1,0.356,69,645,462.904,5.026,6,0.362,0.75,1.0,0.21598074155301214,0.37950620245356725,0.7791618120759373,0.802532382975807,0.5442952847645809
EOS-2-17076,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cc2)cn1,BSUPVJKTZJLISR-UHFFFAOYSA-N,2,1,0.406,69,50,462.904,5.026,6,0.362,0.69,1.0,0.2518932903844836,0.3936159276266191,0.7313669385237476,0.760237475155918,0.5342784079226921
EOS-2-17077,Clc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2)nn1,SOQHKMNOXQDXCZ-UHFFFAOYSA-N,2,1,0.308,30,737,462.904,5.026,6,0.362,0.67,0.999,0.1856281269275581,0.229833458981564,0.6571431019121377,0.7370468096771983,0.45241287437461447
EOS-2-17078,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)nc2)n1,UXAVNCFLDPGJDA-UHFFFAOYSA-N,2,1,0.274,32,171,462.904,5.026,6,0.339,0.75,0.999,0.16053560413953807,0.2707662257556028,0.7236224384894798,0.7726081145911864,0.4818830957439517
EOS-2-17079,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cn1,VKOZGWCAMFLNSL-UHFFFAOYSA-N,2,1,0.329,42,171,462.904,5.026,6,0.339,0.77,1.0,0.2325748749228977,0.39362449455143583,0.7961928586114728,0.8134466451922417,0.5589597183195121
EOS-2-17080,Clc1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2)ccn1,YLYXGZWWIYJXFL-UHFFFAOYSA-N,2,1,0.289,30,737,462.904,5.026,6,0.339,0.63,0.865,0.15250839558632034,0.2501542046467,0.6869731341237749,0.772616681516003,0.46556310396819955
EOS-2-17081,Clc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)c1,KXAQYACECNRNCR-UHFFFAOYSA-N,2,1,0.397,32,327,462.904,5.026,6,0.362,0.74,1.0,0.2355732986087314,0.3748629292029333,0.6896631485162086,0.757633130011651,0.514433126584881
EOS-2-17082,Clc1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)ccn1,VLTDPMXIHGTBEE-UHFFFAOYSA-N,2,1,0.378,93,757,462.904,5.026,6,0.339,0.79,1.0,0.27529812898362005,0.3603591254883147,0.5812658488109108,0.684934206017408,0.4754643273250634
EOS-2-17083,Clc1ccc(-c2nnc3cncc(-c4cnnc(-c5ccccn5)n4)n23)c(-c2ccccc2)c1,AICUUSJMKLNMPL-UHFFFAOYSA-N,2,1,0.333,30,298,462.904,5.026,6,0.362,0.66,0.996,0.2410304297169488,0.44406654787197586,0.5384826262764718,0.6876841888835583,0.47781594818723866
EOS-2-17084,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)nn1,XOQNTMWJQYCGPY-UHFFFAOYSA-N,2,1,0.316,30,737,462.904,5.026,6,0.362,0.81,0.993,0.19137653347954217,0.26021177438146803,0.6068895209375642,0.6904513055993421,0.4372322835994792
EOS-2-17085,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnnc5)nc4)n23)nc1,FYWHVPIUPGNQGR-UHFFFAOYSA-N,2,1,0.351,32,179,462.904,5.026,6,0.362,0.74,1.0,0.16054417106435473,0.31186176410115823,0.7441659241998492,0.8067644438352409,0.5058340758001507
EOS-2-17086,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cc1,OLBRKBYNAIAVRE-UHFFFAOYSA-N,2,1,0.373,42,594,462.904,5.026,6,0.362,0.73,1.0,0.2623620725104516,0.4485042149270098,0.7514820779932835,0.8134552121170585,0.5689508943869508
EOS-2-17087,Clc1cncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,QDJKGOSEYVDYDM-UHFFFAOYSA-N,2,1,0.365,93,774,462.904,5.026,6,0.362,0.76,1.0,0.3103796861078747,0.3936330614762525,0.6217017339455829,0.747395654855733,0.5182775340963608
EOS-2-17088,Clc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)n1,RTUNSBMWOUXJRB-UHFFFAOYSA-N,2,1,0.351,32,479,462.904,5.026,6,0.339,0.78,1.0,0.24913474059351656,0.3700311836063327,0.606898087862381,0.6759903365088068,0.47551358714275926
EOS-2-17089,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)nc1,ARQMMHYNCFVUKZ-UHFFFAOYSA-N,2,1,0.373,32,106,462.904,5.026,6,0.362,0.79,1.0,0.25190185730930026,0.3506185319717634,0.639623740662052,0.7287026249057639,0.4927116887122198
EOS-2-17090,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)cn1,BINKDZZEBIGHOY-UHFFFAOYSA-N,2,1,0.351,42,57,462.904,5.026,6,0.362,0.76,1.0,0.2159893084778288,0.3603676924131314,0.713067987115345,0.7396168871221986,0.5072604687821259
EOS-2-17091,Clc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cn1,HRRRVFBYPICLJX-UHFFFAOYSA-N,2,1,0.394,93,651,462.904,5.026,6,0.339,0.76,1.0,0.2974950311836063,0.417372010143239,0.6273130697005003,0.7396254540470153,0.5204513912685902
EOS-2-17092,Clc1ccccc1-c1nnccc1-c1nnc2cncc(-c3ccc(-c4ccccn4)cn3)n12,ZXFDAUNSIJLAAU-UHFFFAOYSA-N,2,1,0.346,32,20,462.904,5.026,6,0.362,0.62,1.0,0.19685079843739292,0.34078370228222876,0.5974145020903296,0.7072339113151943,0.46057072853128644
EOS-2-17093,Clc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cnn2)cn1,KEVKLGSOCXLAPV-UHFFFAOYSA-N,2,1,0.329,30,945,462.904,5.026,6,0.339,0.61,0.999,0.19961791515317662,0.35062709889658006,0.6977674593927764,0.762841820300185,0.5027135734356796
EOS-2-17094,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)cn2)cn1,ZHLVNZRRIIYGHC-UHFFFAOYSA-N,2,1,0.351,32,20,462.904,5.026,6,0.339,0.74,1.0,0.265009252278802,0.36037625933794804,0.7288311287780138,0.7655661023918854,0.5299456856966623
EOS-2-17095,Clc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)n1,DMNPNOKUGAJSFO-UHFFFAOYSA-N,2,1,0.312,69,57,462.904,5.026,6,0.339,0.72,1.0,0.2214978411349462,0.3407922692070454,0.7029761496813104,0.7182424097046124,0.4958771674319786
EOS-2-17096,Clc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)n1,HOTWRPWJBRMJIH-UHFFFAOYSA-N,2,1,0.291,30,301,462.904,5.026,6,0.339,0.77,1.0,0.17136419710780618,0.27600918374340344,0.6037711603042971,0.6643136179836886,0.4288645397847988
EOS-2-17097,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cn1,CYJXVHUTBYDHRR-UHFFFAOYSA-N,2,1,0.352,32,57,462.904,5.026,6,0.339,0.77,1.0,0.24103899664176548,0.3841066410801179,0.7211637310670962,0.752527242820917,0.5247091529024741
EOS-2-17098,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cn2)cn1,TVQCCHPEPRUMLP-UHFFFAOYSA-N,2,1,0.295,42,171,462.904,5.026,6,0.339,0.66,1.0,0.2108234528133781,0.35563874991433075,0.7743300664793366,0.8089061750394079,0.5374246110616133
EOS-2-17099,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cn1,YPGOBUWODVMXPK-UHFFFAOYSA-N,2,1,0.31,42,171,462.904,5.026,6,0.339,0.76,0.999,0.229936262079364,0.3795147693783839,0.7857840449592214,0.8134637790418752,0.5521747138647111
EOS-2-17100,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cn1,KSGYWZMHVLYNHO-UHFFFAOYSA-N,2,1,0.352,32,57,462.904,5.026,6,0.339,0.77,1.0,0.24104756356658213,0.38411520800493454,0.7211722979919128,0.7525358097457336,0.5247177198272908
EOS-2-17101,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)cn1,ODLKZGDGMGKWDT-UHFFFAOYSA-N,2,1,0.338,69,645,462.904,5.026,6,0.339,0.77,1.0,0.23558186553354807,0.3118703310259749,0.8046141457062573,0.8375197039270783,0.5473965115482147
EOS-2-17102,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)cn1,VGIAHXHWOMWVQC-UHFFFAOYSA-N,2,1,0.342,42,170,462.904,5.026,6,0.339,0.76,1.0,0.22722911383729696,0.3556473168391474,0.7938712219861559,0.8175844698786924,0.5485830306353232
EOS-2-17103,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nc2)nn1,YFTRVKOQCCTWNR-UHFFFAOYSA-N,2,1,0.338,30,371,462.904,5.026,6,0.362,0.69,0.875,0.22436776094852992,0.28088376396408743,0.545181961483106,0.6357086560208347,0.42153553560413953
EOS-2-17104,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)c(-c2ccncc2)n1,MCRDHLYNPSNOCG-UHFFFAOYSA-N,2,1,0.342,42,174,462.904,5.026,6,0.339,0.66,1.0,0.3402953875676787,0.43074497978205745,0.6571516688369543,0.7101466657528613,0.534584675484888
EOS-2-17105,Clc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)n1,CTHOPPOPRIKFEV-UHFFFAOYSA-N,2,1,0.312,69,645,462.904,5.026,6,0.339,0.74,1.0,0.2542577616338839,0.36503666643821536,0.7676221643478857,0.784430470838188,0.5428367658145432
EOS-2-17106,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccn6)cn5)n34)cn2)cc1,BVNLASMLUDOAMB-UHFFFAOYSA-N,2,1,0.37,32,20,462.904,5.026,6,0.362,0.78,1.0,0.18563669385237475,0.4307535467068741,0.6246316222328833,0.710155232677678,0.48779427386745255
EOS-2-17107,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)nn1,SCPQKFBVFVGSIB-UHFFFAOYSA-N,2,1,0.329,69,57,462.904,5.026,6,0.362,0.78,1.0,0.23824617915153176,0.3310602426153108,0.702984716606127,0.739634020971832,0.5029812898362004
EOS-2-17108,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)cn1,IJCUDCJZVODDQV-UHFFFAOYSA-N,2,1,0.357,38,983,462.904,5.026,6,0.339,0.74,1.0,0.23825474607634844,0.365045233363032,0.7489548351723665,0.7751182235624701,0.5318432595435543
EOS-2-17109,Clc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cnn2)cn1,OAZVJPKFCCPVNT-UHFFFAOYSA-N,2,1,0.321,69,57,462.904,5.026,6,0.339,0.62,1.0,0.2382633130011651,0.37487149612775,0.7288396957028305,0.7726252484408197,0.5286499383181413
EOS-2-17110,Clc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)n2)cc1,XSNCHSNDAFZLFL-UHFFFAOYSA-N,2,1,0.411,69,186,462.904,5.026,6,0.362,0.79,1.0,0.24636762387773284,0.4879806044822151,0.6869817010485916,0.7820659995887876,0.5508489822493318
EOS-2-17111,CCn1cc(CCOc2cncc3nnc(-c4ccc(-c5cncc(Cl)n5)nn4)n23)c(C)n1,YOUAMJLIRTZXPT-UHFFFAOYSA-N,2,1,0.39,31,44,462.905,2.838,5,0.359,0.62,0.775,0.19138510040435885,0.17395997532725652,0.03381365225138784,0.044316702076622576,0.11086885751490644
EOS-2-17112,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)n(C(C)C)n1,RATKGOCEXYZEHE-UHFFFAOYSA-N,2,1,0.391,7,986,462.905,3.357,5,0.373,0.68,0.996,0.2892879172092386,0.4127116030429717,0.04693818107052292,0.034978754026454666,0.19597911383729696
EOS-2-17113,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1F,JVXFEJDEBXZAQD-UHFFFAOYSA-N,2,1,0.662,91,70,462.916,4.914,5,0.358,0.77,1.0,0.7482609142622164,0.8602734562401481,0.8165735727503255,0.8089147419642245,0.8085056713042286
EOS-2-17114,Cc1cccc(F)c1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)n(C)n3)n12,HMUAFUNACIDDMF-UHFFFAOYSA-N,2,1,0.54,19,266,462.916,4.914,5,0.358,0.72,1.0,0.5337022822287711,0.6532194503461037,0.7389572339113152,0.7751267904872867,0.6752514392433693
EOS-2-17115,Cc1cccc(F)c1CCOc1cncc2nnc(-c3cc(-c4ccccc4Cl)n(C)n3)n12,LEURUFIPTRHUQQ-UHFFFAOYSA-N,2,1,0.523,19,266,462.916,4.914,5,0.358,0.69,0.999,0.4632393256116784,0.5428174902337057,0.7183195120279624,0.7678963059420191,0.6230681584538414
EOS-2-17116,CCCn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)cn1,PWLNOUMTDSUADZ-UHFFFAOYSA-N,2,1,0.59,43,623,462.916,5.436,5,0.322,0.77,1.0,0.6963796175724762,0.8305462271263108,0.8007333287643068,0.8134723459666918,0.7852828798574464
EOS-2-17117,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)cn1,CLTWVVZCUIQOOC-UHFFFAOYSA-N,2,1,0.722,91,781,462.916,5.089,5,0.337,0.74,1.0,0.5817370296758275,0.6099736138715647,0.8311544787882942,0.8195462956617092,0.7106028544993489
EOS-2-17118,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,QHSSAYAJQGXMOS-UHFFFAOYSA-N,2,1,0.712,91,781,462.916,5.089,5,0.337,0.77,1.0,0.9332550887533411,0.8717874031937496,0.8472945651428964,0.827342197244877,0.8699198135837161
EOS-2-17119,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1,GBBLMOZPOZSYSK-UHFFFAOYSA-N,2,1,0.552,91,70,462.916,5.089,5,0.337,0.75,1.0,0.9046758275649373,0.8905661023918854,0.8328250291275444,0.8235384826262765,0.8629013604276609
EOS-2-17120,CCc1c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccc(F)cc2)nn1C,PCYLPAHVZYWJCZ-UHFFFAOYSA-N,2,1,0.623,43,372,462.916,5.126,5,0.35,0.67,1.0,0.5566530738126242,0.8408351038311288,0.5684925639092592,0.670002056061956,0.658995699403742
EOS-2-17121,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)nn1C,QJRKEKFPXOTVJC-UHFFFAOYSA-N,2,1,0.602,91,752,462.916,4.914,5,0.358,0.73,1.0,0.6022376807621136,0.7345966691796313,0.7743386334041532,0.7602460420807347,0.7178547563566582
EOS-2-17122,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c1,MXDBKFVHIKHAJC-UHFFFAOYSA-N,2,1,0.687,91,781,462.916,5.089,5,0.337,0.74,1.0,0.8131982043725584,0.7115430744979782,0.8377938455212117,0.8235470495510931,0.7965205434857103
EOS-2-17123,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1F,YPDFRPHOSYKJTQ-UHFFFAOYSA-N,2,1,0.647,88,70,462.916,5.089,5,0.337,0.75,1.0,0.8361404290315948,0.8268367486806936,0.8237783565211432,0.829561030772394,0.8290791412514563
EOS-2-17124,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)n1C,SJFZNYRJIYSASG-UHFFFAOYSA-N,2,1,0.76,91,781,462.916,4.914,5,0.358,0.75,1.0,0.9233688575149065,0.8852203413062847,0.8237869234459598,0.7891936810362552,0.8553924508258515
EOS-2-17125,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cc2)cn1,LEPPQSHKZDQOBR-UHFFFAOYSA-N,2,1,0.595,91,803,462.916,5.089,5,0.337,0.75,1.0,0.6963881844972929,0.7827427866493044,0.8026180522239736,0.8025409499006236,0.7710724933177986
EOS-2-17126,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,MXJCUBZWLQBOPH-UHFFFAOYSA-N,2,1,0.646,26,70,462.916,5.089,5,0.337,0.71,1.0,0.7025049688163937,0.7393341786032486,0.8254917414844767,0.8254489068603934,0.7731949489411281
EOS-2-17127,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1,HKGKVVTUTAYZHM-UHFFFAOYSA-N,2,1,0.59,91,781,462.916,5.089,5,0.337,0.73,1.0,0.8744431498869166,0.8441933383592626,0.8255003084092934,0.8134809128915085,0.8394044273867453
EOS-2-17128,N#CCCn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccn1,RFTVIAIJOKQAOP-UHFFFAOYSA-N,2,1,0.463,7,420,462.926,4.257,5,0.355,0.61,1.0,0.4400315262833253,0.4262216434788568,0.31175039407854155,0.3644112809265986,0.38560371119183057
EOS-2-17129,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(C#N)cs5)n34)cc2Cl)cn1,XSUNXURQXJXTQA-UHFFFAOYSA-N,2,1,0.511,4,677,462.926,4.235,5,0.371,0.75,1.0,0.42390000685353985,0.5957525186758961,0.41887122198615584,0.4341032143101912,0.4681567404564458
EOS-2-17130,Cn1c(C#N)cnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,KLHJWNHUUVUQAZ-UHFFFAOYSA-N,2,1,0.469,87,510,462.926,3.795,5,0.377,0.64,1.0,0.805368035090124,0.7741330272085533,0.3193406894661092,0.357617709546981,0.564114865327942
EOS-2-17131,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1ccc(C#N)nc1,ZHNMIEBDTLCQGR-UHFFFAOYSA-N,2,1,0.448,95,235,462.926,3.795,5,0.377,0.64,1.0,0.5005225824138168,0.515420464670002,0.38638544308135153,0.4180659310533891,0.45509860530463986
EOS-2-17132,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c(Cl)c2)cn1,TYBRSZVJGHRSMB-UHFFFAOYSA-N,2,1,0.386,93,107,462.944,6.179,6,0.314,0.78,1.0,0.19962648207799327,0.35063566582139677,0.9099616201768214,0.9261788088547734,0.5966006442327463
EOS-2-17133,Clc1sccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)s1,CGOJRWPTXCQNCA-UHFFFAOYSA-N,2,1,0.333,32,191,462.947,5.952,6,0.322,0.63,0.999,0.22437632787334658,0.3506442327462134,0.479936262079364,0.5783445274484271,0.40832533753683775
EOS-2-17134,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)s4)n23)n1,RDXOTCLBNQCGMM-UHFFFAOYSA-N,2,1,0.282,10,952,462.951,4.877,6,0.371,0.58,0.993,0.01841888835583579,0.06507436090740867,0.1832550887533411,0.3803714618600507,0.16177994996915906
EOS-2-17135,Clc1ccc(-c2cncs2)cc1-c1nnc2cncc(-c3ccn(-c4cncs4)n3)n12,WPJYIQSAEOOQBC-UHFFFAOYSA-N,2,1,0.313,42,151,462.951,4.877,6,0.371,0.61,0.387,0.025666506750736756,0.19537728736892604,0.429879720375574,0.5331539990405044,0.2960193783839353
EOS-2-17136,COc1cc(-c2nnc3cncc(OCc4cc(C)cs4)n23)ccc1-c1ccccc1Cl,HNIMOAANDAKWRG-UHFFFAOYSA-N,2,1,0.523,1,955,462.962,6.069,5,0.306,0.74,1.0,0.7687101637996024,0.8152285655541087,0.8508669727914467,0.8089233088890412,0.8109322527585497
EOS-2-17137,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ccccc1,KMGRHHWNCRANEC-UHFFFAOYSA-N,2,1,0.534,1,848,462.962,5.803,5,0.305,0.71,1.0,0.940425604824892,0.8773387704749503,0.7721626345007196,0.7549431156192173,0.8362175313549448
EOS-2-17138,Cc1nc(-c2cccc(-c3nnc4cncc(OCCCc5cccc(Cl)n5)n34)c2)cs1,UBLDERUTVWVICQ-UHFFFAOYSA-N,2,1,0.454,11,848,462.966,5.283,5,0.242,0.81,1.0,0.7147642382290453,0.7571191145226509,0.344852991570146,0.3930162428894524,0.5524381468028237
EOS-2-17139,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)n1,BHCGPJFSAZWMRJ-UHFFFAOYSA-N,2,1,0.511,15,561,436.928,4.528,5,0.391,0.75,1.0,0.6217360016448495,0.7206325817284628,0.507735933109451,0.5194297854842026,0.5923835754917415
EOS-2-17140,Cn1nc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1ccc(Cl)cc1,DLYLOAOSCDIHPL-UHFFFAOYSA-N,2,1,0.542,95,835,436.928,4.528,5,0.391,0.79,1.0,0.5029727229113837,0.5064765951614009,0.47303988760194643,0.552532382975807,0.5087553971626345
EOS-2-17141,Cn1nc(-c2nnc3cncc(OCCc4cccs4)n23)cc1-c1ccc(Cl)cc1,CVEOCRYLSSUASL-UHFFFAOYSA-N,2,1,0.552,95,835,436.928,4.528,5,0.391,0.77,1.0,0.5413268453156055,0.5758258515523268,0.415178877390172,0.5059968473716675,0.509582105407443
EOS-2-17142,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)c1,GRNHFFHTJIJAET-UHFFFAOYSA-N,2,1,0.543,15,438,436.928,4.528,5,0.391,0.67,1.0,0.6359228291412514,0.6382615996162018,0.57522616681516,0.5816770612021109,0.607771914193681
EOS-2-17143,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)cn1,FJGHJDVUKYAIKZ-UHFFFAOYSA-N,2,1,0.557,15,438,436.928,4.528,5,0.391,0.73,1.0,0.5054485641834007,0.5707028305119595,0.6273216366253169,0.6265763141662669,0.582512336371736
EOS-2-17144,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccc2Cl)n1,YGPGGLADCGSJJF-UHFFFAOYSA-N,2,1,0.573,37,619,436.928,4.528,5,0.391,0.68,1.0,0.6933383592625592,0.8036032485778904,0.5974230690151463,0.6122438489479817,0.6766521314508944
EOS-2-17145,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1Cl,YAVXYEKWKHDZIQ-UHFFFAOYSA-N,2,1,0.58,35,619,436.928,4.528,5,0.391,0.67,1.0,0.7829912274689877,0.8373569323555616,0.5384911932012885,0.5624271811390583,0.6803166335412241
EOS-2-17146,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,IMLBMSUJWVKKCU-UHFFFAOYSA-N,2,1,0.553,15,320,436.928,4.528,5,0.391,0.8,1.0,0.9031337810979371,0.8152371324789254,0.5720221369337263,0.5752347337399767,0.7164069460626413
EOS-2-17147,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccsc4Cl)n23)cc1,STFVJJCEZVNMDT-UHFFFAOYSA-N,2,1,0.483,16,55,436.928,4.969,5,0.376,0.64,1.0,0.6693167020766225,0.5864231375505449,0.6396323075868686,0.6152337057089987,0.6276514632307587
EOS-2-17148,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)n1,JTUVLHCYEQMTSY-UHFFFAOYSA-N,2,1,0.553,15,889,436.928,4.528,5,0.391,0.76,1.0,0.7657888424371188,0.8230244671372764,0.52483551504352,0.5295730244671373,0.660805462271263
EOS-2-17149,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5cscc5Cl)n34)c2)cn1,NPTVBGFMWUCVEF-UHFFFAOYSA-N,2,1,0.488,16,388,436.928,4.969,5,0.376,0.7,1.0,0.3885957096840518,0.4354739222808581,0.6187375779590158,0.6152422726338154,0.5145123706394352
EOS-2-17150,Cc1cc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCc3ccc(Cl)s3)n12,RCYGHHWWCRKTHN-UHFFFAOYSA-N,2,1,0.471,4,677,436.928,4.794,5,0.396,0.74,1.0,0.4287574532245905,0.5569272154067576,0.6651446096909054,0.6210592145843328,0.5679721232266466
EOS-2-17151,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,XFRORDLMBKRIRL-UHFFFAOYSA-N,2,1,0.523,4,506,436.928,4.969,5,0.376,0.75,1.0,0.3025923514495237,0.41738057706805565,0.5617589610033582,0.5591717497087245,0.4602259098074155
EOS-2-17152,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)cc1,SYWNVPZUCOBNDY-UHFFFAOYSA-N,2,1,0.556,15,438,436.928,4.528,5,0.391,0.64,1.0,0.8263398670413269,0.734605236104448,0.6187461448838325,0.618009389349599,0.6994251593448017
EOS-2-17153,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)cc1,DBLDVJDUJHYGKX-UHFFFAOYSA-N,2,1,0.584,15,320,436.928,4.528,5,0.391,0.63,1.0,0.8566496470426975,0.7783993557672538,0.5315177164005209,0.5362295250496881,0.6756990610650401
EOS-2-17154,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,JTIWTKSLPXWYRP-UHFFFAOYSA-N,2,1,0.511,15,561,436.928,4.528,5,0.391,0.76,1.0,0.7389915016105819,0.6724179288602563,0.5519583990130903,0.5656997464190254,0.6322668939757385
EOS-2-17155,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)cn1,GVGHNQMUZULFBZ-UHFFFAOYSA-N,2,1,0.566,15,519,436.928,4.528,5,0.391,0.78,1.0,0.730244671372764,0.7913268453156055,0.5941505037351792,0.5939363306147625,0.6774145877595779
EOS-2-17156,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccsc4)cc3)n12,USUYSPJDJQVXEK-UHFFFAOYSA-N,2,1,0.6,57,326,436.899,5.891,5,0.344,0.83,1.0,0.9299482557741073,0.9549636762387773,0.9489668288671098,0.9601038311287781,0.9484956480021931
EOS-2-17157,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)ccc1Cl,QUMUTOOGADGSMS-UHFFFAOYSA-N,2,1,0.667,57,326,436.899,5.891,5,0.344,0.8,1.0,0.9759269412651634,0.9638304434240285,0.9591786032485778,0.9652525529435954,0.9660471352203412
EOS-2-17158,Clc1cnc(-c2cnsc2)cc1-c1nnc2cncc(OCCc3ncccn3)n12,JAUZAZMSYACOIK-UHFFFAOYSA-N,2,1,0.483,65,795,436.888,3.375,5,0.399,0.6,1.0,0.5439654581591392,0.6532280172709204,0.18326365567815778,0.24396888492906585,0.4061065040093208
EOS-2-17159,Clc1snnc1CCOc1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,HMULCADLTCKBNP-UHFFFAOYSA-N,2,1,0.524,15,215,436.888,3.375,5,0.399,0.68,1.0,0.5708399013090261,0.7252844219039134,0.15151463230758686,0.25599684737166745,0.4259089507230484
EOS-2-17160,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)s1,ORWHWQGBXCMQKS-UHFFFAOYSA-N,2,1,0.489,55,241,436.888,3.641,5,0.411,0.67,1.0,0.5566616407374408,0.5291789459255706,0.20364436981701048,0.25600541429648416,0.3863725926941265
EOS-2-17161,Clc1snnc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,OCIHVMLKAXWJNV-UHFFFAOYSA-N,2,1,0.5,58,579,436.888,3.375,5,0.399,0.75,1.0,0.4930008224247824,0.653236584195737,0.07000890960180933,0.1389983551504352,0.338811167843191
EOS-2-17162,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)ccn2)cs1,PBTFJZBIHANYHI-UHFFFAOYSA-N,2,1,0.483,7,99,436.888,3.641,5,0.411,0.74,1.0,0.45414125145637724,0.5246470426975532,0.20365293674182716,0.2176170241929957,0.35001456377218837
EOS-2-17163,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)s1,NLYKYTOMSKDTJO-UHFFFAOYSA-N,2,1,0.472,4,617,436.888,3.641,5,0.384,0.71,1.0,0.44947227743129325,0.619560002741416,0.1452522102666027,0.18613357549174148,0.35010451648276336
EOS-2-17164,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)ccn1,UVHFXJRQRDCPIQ-UHFFFAOYSA-N,2,1,0.522,58,578,436.888,3.375,5,0.373,0.71,1.0,0.5594458913028579,0.7161520800493455,0.3046141457062573,0.35437084504146393,0.48364574052498116
EOS-2-17165,Clc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)n1,CVOQXBPQIVXFCH-UHFFFAOYSA-N,2,1,0.447,87,822,436.888,3.375,5,0.399,0.55,1.0,0.5493026523199233,0.6099821807963813,0.22117229799191282,0.2766431361798369,0.4142750668220136
EOS-2-17166,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncnc5Cl)n34)cn2)cs1,LZERBFVZCHUMAC-UHFFFAOYSA-N,2,1,0.472,55,283,436.888,3.641,5,0.384,0.73,1.0,0.6163816736344322,0.6626859022685216,0.2640240559248852,0.2680333767390857,0.45278125214173115
EOS-2-17167,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)cn1,LXXACBOEFGZWNK-UHFFFAOYSA-N,2,1,0.409,7,113,436.888,3.641,5,0.411,0.63,0.794,0.518024809814269,0.5291875128503872,0.2864608320197382,0.28263141662668767,0.40407614282777055
EOS-2-17168,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)s1,UGKRXRXWFLYNDD-UHFFFAOYSA-N,2,1,0.449,55,617,436.888,3.641,5,0.384,0.78,1.0,0.5542800356384072,0.6821756562264409,0.21081488588856145,0.24665889932149956,0.4234823692687273
EOS-2-17169,Clc1scnc1CCOc1cncc2nnc(-c3cc(-c4cncnc4)ccn3)n12,KYZFAOCRYKINCU-UHFFFAOYSA-N,2,1,0.413,18,367,436.888,3.375,5,0.399,0.68,0.984,0.47324549379754643,0.5106144198478514,0.19321842231512576,0.26488931533136867,0.3604919128229731
EOS-2-17170,Clc1scnc1CCOc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,UVRRPUAASQEENP-UHFFFAOYSA-N,2,1,0.506,75,324,436.888,3.375,5,0.399,0.68,1.0,0.5622387087930917,0.6195685696662326,0.15759714892742102,0.21509834829689534,0.3886256939209102
EOS-2-17171,Clc1nccnc1CCOc1cncc2nnc(-c3cncc(-c4cscn4)c3)n12,CNDSOYVIQXRWJF-UHFFFAOYSA-N,2,1,0.462,87,858,436.888,3.375,5,0.399,0.56,0.999,0.5622472757179083,0.5957610856007127,0.17997395654855733,0.24666746624631622,0.39616244602837364
EOS-2-17172,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccccc5Cl)n34)n2)s1,JJDPBOGJNOWVAH-UHFFFAOYSA-N,2,1,0.512,4,446,436.888,3.641,5,0.411,0.71,1.0,0.4880577068055651,0.672426495785073,0.0857463504900281,0.15649201562607087,0.3506806421766843
EOS-2-17173,Clc1cc(-c2nccs2)cc(-c2nnc3cncc(OCCc4cncnn4)n23)c1,CGDVMLUWVSPRAW-UHFFFAOYSA-N,2,1,0.489,37,563,436.888,3.375,5,0.399,0.64,1.0,0.6078832842162977,0.6675347817147557,0.2108234528133781,0.3006733602905901,0.4467287197587554
EOS-2-17174,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cs1,SWYNRVVMINTZFV-UHFFFAOYSA-N,2,1,0.437,51,196,436.888,3.641,5,0.411,0.73,1.0,0.5566702076622576,0.6285467068741005,0.16083544650812145,0.17252073195805634,0.379643273250634
EOS-2-17175,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cs1,VPICQDMNHWRZAR-UHFFFAOYSA-N,2,1,0.46,4,617,436.888,3.641,5,0.411,0.74,1.0,0.4585360838873278,0.614865327941882,0.19322698923994244,0.20606880954012746,0.36817430265232
EOS-2-17176,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)s1,SVDOZFPEWOOTCZ-UHFFFAOYSA-N,2,1,0.512,2,142,436.888,3.641,5,0.411,0.65,1.0,0.3886042766088685,0.520063737920636,0.21083201973819476,0.25278425056541703,0.34307107120827907
EOS-2-17177,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cnncn5)c4)n23)s1,BCXHPKPOKJGIPU-UHFFFAOYSA-N,2,1,0.457,87,227,436.888,3.375,5,0.399,0.64,0.999,0.7025135357412103,0.7069512027962442,0.337425467754095,0.3834469878692345,0.5325842985401961
EOS-2-17178,Clc1ncc(-c2nnc3cncc(OCCc4cccs4)n23)c(-c2cncnc2)n1,CTJPZANFCVNODB-UHFFFAOYSA-N,2,1,0.57,65,631,436.888,3.375,5,0.373,0.7,1.0,0.8081351518059078,0.8036118155027071,0.18327222260297443,0.23226646562949763,0.5068214138852717
EOS-2-17179,Clc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ncns5)c4)n23)c1,HEPIBKASLZKZOC-UHFFFAOYSA-N,2,1,0.523,75,530,436.888,3.375,5,0.399,0.65,1.0,0.6078918511411144,0.6577342197244876,0.24982009457885,0.31337810979370845,0.4572060688095401
EOS-2-17180,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)s1,DTOYRHFKUIWFHV-UHFFFAOYSA-N,2,1,0.489,7,94,436.888,3.641,5,0.411,0.59,0.997,0.40356212733877045,0.4127201699677884,0.0742752381605099,0.11465115482146529,0.2513021725721335
EOS-2-17181,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)s1,LYUSHHFQAFUDBS-UHFFFAOYSA-N,2,1,0.456,46,238,436.888,3.641,5,0.411,0.65,0.951,0.39523507641696937,0.4746590363922966,0.22822287711603043,0.24966588993214994,0.3369457199643616
EOS-2-17182,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)cs1,PTPDMICOWGEAKW-UHFFFAOYSA-N,2,1,0.419,2,422,436.888,3.641,5,0.384,0.74,1.0,0.4757127681447468,0.5246556096223699,0.20366150366664382,0.21762559111781235,0.3554138681378932
EOS-2-17183,Cc1nsc(COc2cncc3nnc(-c4cnc(Cl)c(-c5cccnc5)c4)n23)n1,BOMMEYLCVXJXOA-UHFFFAOYSA-N,2,1,0.461,2,85,436.888,3.641,5,0.384,0.61,1.0,0.4705554794051127,0.6050733328764307,0.1608440134329381,0.22949078198889727,0.36649090192584466
EOS-2-17184,Cc1nsc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nn4)n23)n1,ZCVPJTLEFPJUKZ-UHFFFAOYSA-N,2,1,0.437,54,691,436.888,3.641,5,0.411,0.7,0.996,0.4377612912069084,0.5616647248303749,0.1077547803440477,0.20306181892947708,0.327560653827702
EOS-2-17185,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)s1,YOOAVPUWNCERDM-UHFFFAOYSA-N,2,1,0.512,55,283,436.888,3.641,5,0.384,0.78,1.0,0.5566787745870743,0.6335497909670345,0.20725104516482765,0.2352049208416147,0.4081711328901378
EOS-2-17186,Cc1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1cncs1,ZIZJXEBDBLSCMG-UHFFFAOYSA-N,2,1,0.402,7,94,436.888,3.641,5,0.411,0.59,1.0,0.43510554451374134,0.510622986772668,0.2211808649167295,0.22949934891371393,0.3491021862792132
EOS-2-17187,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)s1,FOKHHEDVEUQCQK-UHFFFAOYSA-N,2,1,0.529,55,241,436.888,3.641,5,0.384,0.69,1.0,0.5413354122404221,0.5154290315948187,0.21084058666301145,0.2409790281680488,0.37714601466657527
EOS-2-17188,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)s1,NRUQOODDYMVBCN-UHFFFAOYSA-N,2,1,0.488,36,19,436.888,3.641,5,0.411,0.7,1.0,0.6274758412720169,0.6480621616064698,0.14829346857651976,0.17512507710232336,0.3997391371393325
EOS-2-17189,Clc1nccnc1CCOc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,PBZRRSGHOJLORA-UHFFFAOYSA-N,2,1,0.517,75,583,436.888,3.375,5,0.399,0.63,1.0,0.5936878897950791,0.6427421012953191,0.11036769241313138,0.15913919539442123,0.3764842197244877
EOS-2-17190,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)nn1,JZWARFPBJOGBPT-UHFFFAOYSA-N,2,1,0.478,87,419,436.888,3.375,5,0.399,0.65,1.0,0.5054571311082174,0.5957696525255294,0.23186382016311424,0.28841409087793846,0.4053761736686999
EOS-2-17191,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)n1,KOEGHPCEPXHYGX-UHFFFAOYSA-N,2,1,0.451,7,185,436.888,3.641,5,0.411,0.7,1.0,0.6106332670824481,0.7346138030292646,0.21737715029812898,0.22620108285929683,0.44720632581728464
EOS-2-17192,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)ncn2)cn1,WMCQOHXVYOVZAX-UHFFFAOYSA-N,2,1,0.516,18,194,436.888,3.375,5,0.373,0.69,0.949,0.5310722363100542,0.5911178123500788,0.17025049688163937,0.2322750325543143,0.3811788945240217
EOS-2-17193,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)s1,FUBLCFJKQXIRCT-UHFFFAOYSA-N,2,1,0.456,2,142,436.888,3.641,5,0.411,0.71,1.0,0.49043074497978206,0.5246641765471867,0.2534953053252005,0.29446233979850595,0.3907631416626688
EOS-2-17194,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nn4)n23)c1,SYGIAABWCCFUEA-UHFFFAOYSA-N,2,1,0.467,54,411,436.888,3.375,5,0.399,0.63,0.94,0.5235504763210198,0.6335583578918511,0.18654478788294154,0.2680419436639024,0.4029238914399287
EOS-2-17195,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)c2)cs1,VUALJZRWOJQWRC-UHFFFAOYSA-N,2,1,0.472,2,422,436.888,3.641,5,0.384,0.74,1.0,0.4470221369337263,0.5106315536974847,0.25350387225001714,0.23825474607634844,0.36235307723939414
EOS-2-17196,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cscn5)n34)ncn2)cn1,WINXEVLPGNEMAN-UHFFFAOYSA-N,2,1,0.516,18,194,436.888,3.375,5,0.373,0.65,0.949,0.5361352888767048,0.5957782194503461,0.22118943184154616,0.27354190939620315,0.4066612123912001
EOS-2-17197,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cnccn5)n34)cc(Cl)n2)cs1,BSWNDBZTYZEXAK-UHFFFAOYSA-N,2,1,0.488,7,486,436.888,3.641,5,0.384,0.7,1.0,0.45854465081214446,0.5477177712288397,0.21738571722294564,0.22620964978411348,0.3624644472620108
EOS-2-17198,Clc1cccc(CCOc2cncc3nnc(-c4cncc(-c5csnn5)c4)n23)n1,DLGHIRVKAZPERU-UHFFFAOYSA-N,2,1,0.457,87,838,436.888,3.375,5,0.373,0.67,1.0,0.4102443286957714,0.5291960797752039,0.26060585292303473,0.3287214721403605,0.3821919333835926
EOS-2-17199,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c2)cs1,GTLAPQGSLMPGHW-UHFFFAOYSA-N,2,1,0.456,7,354,436.888,3.641,5,0.384,0.72,1.0,0.41690939620313894,0.5154375985196354,0.3007590295387568,0.2913525460900555,0.3811146425878967
EOS-2-17200,Cc1csc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)n1,FHOCRCXVCXNGEB-UHFFFAOYSA-N,2,1,0.409,46,238,436.888,3.641,5,0.384,0.71,0.997,0.395243643341786,0.46603214310191216,0.18980878623809197,0.217634158042629,0.3171796826811048
EOS-2-17201,Cc1ncc(-c2nnc3cncc(OCc4nc(-c5ccsc5)ncc4Cl)n23)cn1,YSQDBIJTPJHHJR-UHFFFAOYSA-N,2,1,0.46,51,48,436.888,3.641,5,0.411,0.62,1.0,0.6163902405592488,0.609990747721198,0.1608525803577548,0.18356349804674113,0.39269926667123567
EOS-2-17202,Clc1ncsc1CCOc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,UMGVBNBLGAQMAX-UHFFFAOYSA-N,2,1,0.551,75,324,436.888,3.375,5,0.399,0.62,1.0,0.5735042149270098,0.6773096429305736,0.16086114728257145,0.22041840860804607,0.4080233534370502
EOS-2-17203,Clc1ncsc1CCOc1cncc2nnc(-c3cc(-c4cccnc4)ncn3)n12,ZOBXHJUSEARHEH-UHFFFAOYSA-N,2,1,0.433,18,194,436.888,3.375,5,0.399,0.6,0.989,0.5361438558015215,0.5911263792748955,0.14830203550133644,0.22042697553286272,0.37399981152765405
EOS-2-17204,Cc1nc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cs1,UBXRFHIBZKSMQJ-UHFFFAOYSA-N,2,1,0.435,53,511,436.888,3.641,5,0.411,0.71,0.973,0.4680625042834624,0.4218353779727229,0.2899904050442053,0.322519018573093,0.3756018264683709
EOS-2-17205,Cc1nsc(COc2cncc3nnc(-c4ccc(-c5ccncn5)cc4Cl)n23)n1,INEMPHUSJGPODN-UHFFFAOYSA-N,2,1,0.456,7,815,436.888,3.641,5,0.411,0.69,1.0,0.4632478925364951,0.5911349461997122,0.17687272976492358,0.24397745185388253,0.36880825508875337
EOS-2-17206,Clc1snnc1CCOc1cncc2nnc(-c3cccc(-c4cncnc4)c3)n12,JBRCAOCRUZSGEZ-UHFFFAOYSA-N,2,1,0.5,15,215,436.888,3.375,5,0.399,0.7,1.0,0.4287660201494072,0.6004386265506134,0.13940956754163525,0.24967445685696663,0.3545721677746556
EOS-2-17207,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)s1,WVHHCCJPJZSOGF-UHFFFAOYSA-N,2,1,0.577,72,226,436.888,3.641,5,0.411,0.76,1.0,0.7390000685353986,0.8800116510177507,0.13622267150983483,0.22043554245767938,0.4939174833801659
EOS-2-17208,Cc1csc(-c2cnccc2COc2cncc3nnc(-c4cnc(Cl)nc4)n23)n1,NTRJAWHWKZVAOV-UHFFFAOYSA-N,2,1,0.455,55,434,436.888,3.641,5,0.384,0.7,0.998,0.5761513946953601,0.6239291343979165,0.23187238708793093,0.22621821670893016,0.4145427832225344
EOS-2-17209,Clc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5cnccn5)c4)n23)s1,NNUBXJDUSRJJIF-UHFFFAOYSA-N,2,1,0.467,65,778,436.888,3.375,5,0.399,0.54,1.0,0.6537505996847371,0.7069597697210609,0.23917997395654855,0.3038259886231238,0.4759290829963676
EOS-2-17210,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)s5)n34)cn2)n1,UGMIWTXBFYRNQE-UHFFFAOYSA-N,2,1,0.477,55,283,436.888,3.641,5,0.411,0.58,1.0,0.5708484682338428,0.6099993146460146,0.2108491535878281,0.21510691522171202,0.40170096292234936
EOS-2-17211,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)s1,VJOHCXFUEYFLEL-UHFFFAOYSA-N,2,1,0.483,46,395,436.888,3.641,5,0.384,0.66,0.904,0.4953738605989994,0.4660407100267288,0.2755294359536701,0.27665170310465353,0.37839892742101294
EOS-2-17212,Clc1sccc1CCOc1cncc2nnc(-c3cc(-c4ncccn4)ncn3)n12,GZVPALKMRYTDIC-UHFFFAOYSA-N,2,1,0.422,18,194,436.888,3.375,5,0.399,0.53,0.999,0.6330614762524844,0.5428260571585224,0.17688129668974026,0.23228359947913096,0.3962631073949695
EOS-2-17213,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)cn2)s1,MWQFBQKSIWVXHP-UHFFFAOYSA-N,2,1,0.488,55,434,436.888,3.641,5,0.384,0.57,1.0,0.6274844081968337,0.6821842231512576,0.25682783907888423,0.23521348776643136,0.45042748954835177
EOS-2-17214,Clc1snnc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,SKUQIXJIBIYAPK-UHFFFAOYSA-N,2,1,0.518,75,583,436.888,3.375,5,0.399,0.73,1.0,0.4732540607223631,0.5522325406072236,0.07216777465560963,0.14371873072441915,0.31034327667740386
EOS-2-17215,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5nncs5)c4)n23)nc1,KHJIUKCMIUCFGB-UHFFFAOYSA-N,2,1,0.545,75,241,436.888,3.375,5,0.399,0.75,1.0,0.6537591666095538,0.7252929888287301,0.2036700705914605,0.2648978822561853,0.4619050270714824
EOS-2-17216,N=c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)c[nH]1,TVRBHPNTRZHDIL-UHFFFAOYSA-N,2,1,0.441,55,390,436.888,3.35,5,0.436,0.65,1.0,0.5154290315948187,0.6100078815708313,0.4263844150503735,0.3959632650263861,0.48694614831060234
EOS-2-17217,Cc1cnc(-c2nc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cs2)cn1,HNJBNAOVNPGJIG-UHFFFAOYSA-N,2,1,0.418,46,62,436.888,3.641,5,0.411,0.68,1.0,0.4632564594613118,0.43076211363169076,0.17998252347337398,0.22044410938249606,0.3236113014872182
EOS-2-17218,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cncs5)ncn4)n23)cn1,WWBOHRUARPIADU-UHFFFAOYSA-N,2,1,0.46,18,194,436.888,3.375,5,0.373,0.65,1.0,0.5566873415118909,0.5569357823315743,0.27553800287848673,0.310345418408608,0.42487663628264005
EOS-2-17219,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)s1,YHRVDHQXIXXLTC-UHFFFAOYSA-N,2,1,0.472,55,283,436.888,3.641,5,0.411,0.72,1.0,0.5790727160578438,0.6427506682201357,0.2002090329655267,0.24968302378178328,0.41792886025632237
EOS-2-17220,COc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1nncs1,ZYGSGZCPNGKOQH-UHFFFAOYSA-N,2,1,0.625,13,209,436.884,4.764,5,0.392,0.75,1.0,0.6446867932287026,0.7161606469741622,0.6217103008703996,0.615250839558632,0.6494521451579741
EOS-2-17221,Clc1ccc(COc2cncc3nnc(-c4ccc(Oc5cncnc5)cc4)n23)s1,UDZDCFLIUPVXNT-UHFFFAOYSA-N,2,1,0.553,4,31,436.884,4.668,5,0.382,0.81,1.0,0.8744517168117333,0.8602820231649647,0.6816016722637243,0.6556353231444041,0.7679926838462066
EOS-2-17222,CCn1cc(-c2nnc3cncc(-c4c(C)nn(C)c4-c4ccc(F)cc4Cl)n23)cn1,JTXUKEBFFXJPQH-UHFFFAOYSA-N,2,1,0.338,22,844,436.882,4.176,5,0.422,0.63,1.0,0.1037368926050305,0.23462236995408128,0.35637550544856417,0.4529761496813104,0.28692772942224654
EOS-2-17223,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)ccn2)n[nH]1,OZMIHZLXKXGWFT-UHFFFAOYSA-N,2,1,0.462,31,779,436.867,2.288,5,0.429,0.62,1.0,0.4169179631279556,0.47041840860804607,0.04061579055582208,0.05105887190734014,0.24475275854979098
EOS-2-17224,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2C)n(C)n1,XTUJJACRZINAKN-UHFFFAOYSA-N,2,1,0.456,31,105,436.867,2.256,5,0.412,0.66,1.0,0.1110530463984648,0.22478754026454664,0.02572647522445343,0.03386505380028785,0.09885802892193818
EOS-2-17225,Clc1cncc2nnc(-c3ccc(-c4nnc5ccccc5c4-c4cccnc4)cn3)n12,CKPGTEIVLXPFKX-UHFFFAOYSA-N,2,1,0.381,30,301,436.866,4.512,6,0.402,0.72,0.997,0.21599787540264548,0.28089233088890414,0.49693304091563295,0.6357172229456515,0.4073851175382085
EOS-2-17226,CCOc1cc(Cl)ccc1-c1nnc2cncc(-c3cc(-c4nncn4CC)on3)n12,VVGBMRAFQVHWFD-UHFFFAOYSA-N,2,1,0.366,50,985,436.863,3.777,5,0.395,0.61,0.997,0.297503598108423,0.41272873689260503,0.15440168597080392,0.19997772599547667,0.26615293674182716
EOS-2-17227,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nnc(C)o5)cc4Cl)n23)n(C)n1,NYDCBVLNEYQUJJ-UHFFFAOYSA-N,2,1,0.471,36,662,436.863,3.424,5,0.412,0.72,1.0,0.4216469056267562,0.5382941539305051,0.17999109039819067,0.15914776231923788,0.32476997806867247
EOS-2-17228,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)nn2C)n1,WPUWVEQUNBBXLU-UHFFFAOYSA-N,2,1,0.412,31,569,436.863,3.158,5,0.399,0.56,1.0,0.3795233363032006,0.27077479268041943,0.14526077719141936,0.15650058255088753,0.23801487218148173
EOS-2-17229,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccn(C)c5Cl)n34)c2)no1,ONCLJVXYMYKCGU-UHFFFAOYSA-N,2,1,0.495,65,349,436.863,3.158,5,0.399,0.64,1.0,0.5054656980330341,0.4704269755328627,0.2426581454321157,0.2382633130011651,0.3642035329997944
EOS-2-17230,Cc1nc(CCOc2cncc3nnc(-c4cccc(-c5ncnn5C)c4)n23)c(Cl)o1,GXYJISZUSIXHNT-UHFFFAOYSA-N,2,1,0.5,15,931,436.863,3.158,5,0.399,0.64,1.0,0.4585532177369611,0.4127373038174217,0.08812795558906175,0.10333424713864711,0.2656881810705229
EOS-2-17231,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)ncn2)cn1,WDZBBEACXKBIFO-UHFFFAOYSA-N,2,1,0.4,31,194,436.863,3.333,5,0.382,0.69,1.0,0.3306832979233774,0.24023370570899868,0.2072596120896443,0.20307038585429374,0.24531175039407851
EOS-2-17232,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)n(C)n2)no1,KYOKEXQXSRIKRY-UHFFFAOYSA-N,2,1,0.472,36,677,436.863,3.424,5,0.412,0.72,1.0,0.41692653005277225,0.5758344184771435,0.15760571585223768,0.17513364402714002,0.33137507710232333
EOS-2-17233,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)cnn1,QKGNNEBQJAYZEJ-UHFFFAOYSA-N,2,1,0.43,31,779,436.863,3.333,5,0.382,0.67,0.999,0.4057295593173874,0.39364162840106914,0.23188095401274758,0.2439860187786992,0.31880954012747587
EOS-2-17234,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)on1,GIWOSBKPLSDLPZ-UHFFFAOYSA-N,2,1,0.441,95,493,436.863,3.158,5,0.373,0.61,1.0,0.32287882941539303,0.2501627715715167,0.18328078952779112,0.19181344664519223,0.23703395928997328
EOS-2-17235,Cc1onc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccn(C)n4)nc3)n12,CLGYERDJZGNCDT-UHFFFAOYSA-N,2,1,0.5,65,981,436.863,3.158,5,0.399,0.51,1.0,0.4329466794599411,0.5292046467000205,0.11621890206291549,0.12153039544924954,0.29997515591803164
EOS-2-17236,CCn1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)cc4F)n23)n1,FZNDUEOHOJMOSB-UHFFFAOYSA-N,2,1,0.347,45,102,436.853,5.273,5,0.385,0.75,1.0,0.30260091837434033,0.5064851620862175,0.9108697142073882,0.9364933863340416,0.6641122952504969
EOS-2-17237,Cc1nc(-c2ccc(F)c(F)c2)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C,MRQXYKLANXMGMD-UHFFFAOYSA-N,2,1,0.417,45,102,436.853,5.099,5,0.395,0.79,1.0,0.36790658625179906,0.5957867863751628,0.8425656226440956,0.9009320814200534,0.6767977691727778
EOS-2-17238,Cc1nn(C)c(-c2ccc(F)c(F)c2)c1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,UFVHSOJLFZBPQN-UHFFFAOYSA-N,2,1,0.423,45,102,436.853,5.099,5,0.395,0.71,1.0,0.22150640805976288,0.5522411075320403,0.869971215132616,0.9177489548351724,0.6403669213898978
EOS-2-17239,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1C,LTCGQPGNWQRAII-UHFFFAOYSA-N,2,1,0.391,45,730,436.853,5.099,5,0.395,0.73,1.0,0.3103882530326914,0.5336680145295045,0.8128726612295251,0.8874477417586183,0.6360941676375849
EOS-2-17240,Cc1nn(C)c(-c2ccc(F)c(Cl)c2)c1-c1cncc2nnc(-c3ccc(F)cc3)n12,VRYVXCVHKAAGEC-UHFFFAOYSA-N,2,1,0.423,45,102,436.853,5.099,5,0.395,0.73,1.0,0.21083201973819476,0.5154461654444521,0.8699797820574326,0.9166609553834556,0.6282297306558838
EOS-2-17241,CCn1cc(-c2ccc(F)c(F)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,YOIPERHSDCKOMA-UHFFFAOYSA-N,2,1,0.411,45,102,436.853,5.273,5,0.385,0.75,1.0,0.3540795695976972,0.6335669248166678,0.8628692344595984,0.9155986567061888,0.691528596395038
EOS-2-17242,CCn1nc(-c2cccnn2)cc1Oc1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,ZBIGAEAHSRMWOQ-UHFFFAOYSA-N,2,1,0.444,22,706,436.838,4.05,5,0.41,0.6,1.0,0.5180333767390858,0.7115516414227949,0.44121376190802547,0.5060054142964842,0.5442010485915976
EOS-2-17243,Cc1ccc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n(C)n2)nn1,HADAOIQCHUTYMZ-UHFFFAOYSA-N,2,1,0.466,22,706,436.838,3.875,5,0.422,0.73,1.0,0.5361524227263381,0.7610427660886848,0.5214344458913028,0.5331625659653211,0.5879480501679117
EOS-2-17244,Cn1nc(-c2nnc3cncc(OCc4ccncc4F)n23)cc1-c1ccc(Cl)cn1,FKVZXMFCKIEGBG-UHFFFAOYSA-N,2,1,0.411,95,915,436.838,3.353,5,0.417,0.68,0.999,0.46083201973819476,0.46177438146802824,0.5111198684120348,0.562435748063875,0.49904050442053316
EOS-2-17245,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2F)cn1,YYGJYDSFCSGHMH-UHFFFAOYSA-N,2,1,0.465,16,379,436.838,3.353,5,0.39,0.66,1.0,0.6301658556644507,0.6724350627098896,0.5845726817901447,0.5876996093482284,0.6187183023781784
EOS-2-17246,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c(F)c2)cn1,IIMLZOMSQYCUJC-UHFFFAOYSA-N,2,1,0.433,16,446,436.838,3.353,5,0.39,0.73,1.0,0.565194297854842,0.6675433486395723,0.5720307038585429,0.5783530943732438,0.5957803611815502
EOS-2-17247,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)cn1,BNSVEEQDAUJSQP-UHFFFAOYSA-N,2,1,0.459,51,196,436.838,3.353,5,0.417,0.73,1.0,0.6022462476869302,0.6724436296347063,0.5685011308340758,0.5783616612980604,0.6053881673634433
EOS-2-17248,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ncn1,YKZJHQOESUGDKA-UHFFFAOYSA-N,2,1,0.422,46,488,436.838,3.353,5,0.417,0.65,0.789,0.5517185251182236,0.4792680419436639,0.5418494277294222,0.5847097525872113,0.5393864368446303
EOS-2-17249,Cn1ccnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,XYCQSYPQJXNDLS-UHFFFAOYSA-N,2,1,0.511,73,212,436.838,3.353,5,0.417,0.66,1.0,0.6217445685696662,0.7993711877184566,0.4448290041806593,0.5027499828661504,0.5921736858337331
EOS-2-17250,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cn2)n1,NYFSOPOOWWRRLC-UHFFFAOYSA-N,2,1,0.506,55,109,436.838,3.353,5,0.417,0.7,0.973,0.6566119525735042,0.687204441093825,0.612672195188815,0.6357257898704681,0.6480535946816531
EOS-2-17251,Cn1ccnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1,IELLXCCMASZWIA-UHFFFAOYSA-N,2,1,0.518,73,212,436.838,3.353,5,0.417,0.72,1.0,0.702522102666027,0.8408436707559455,0.49019943800973204,0.5331711328901377,0.6416840860804606
EOS-2-17252,Cn1nc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,NCDJUKBKMAMGLJ-UHFFFAOYSA-N,2,1,0.524,73,446,436.838,3.353,5,0.417,0.77,1.0,0.520603454184086,0.7527499828661504,0.29734939346172296,0.41807449797820573,0.49719433212254127
EOS-2-17253,Cn1nc(-c2ccc(F)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,DFTQTAUEHOKMAD-UHFFFAOYSA-N,2,1,0.561,34,32,436.838,3.353,5,0.417,0.62,1.0,0.7302532382975807,0.8717959701185662,0.4555890617503941,0.5226509492152697,0.6450723048454526
EOS-2-17254,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccn1,XOXFYKPZPHUXRJ-UHFFFAOYSA-N,2,1,0.506,7,624,436.838,3.353,5,0.417,0.59,1.0,0.5104944829004181,0.4833116304571311,0.5583750257007745,0.5591803166335412,0.5278403639229662
EOS-2-17255,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)nc1,IJHSMGBBIJDINN-UHFFFAOYSA-N,2,1,0.461,46,915,436.838,3.353,5,0.417,0.62,0.999,0.4608405866630114,0.5200723048454526,0.6302515249126174,0.6671578370228223,0.569580563360976
EOS-2-17256,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)nc1,YLIAZCVPGQQZSR-UHFFFAOYSA-N,2,1,0.443,46,332,436.838,3.353,5,0.417,0.66,1.0,0.46326502638612843,0.5064937290110342,0.6037797272291139,0.647179768350353,0.5551795627441574
EOS-2-17257,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)nc1,NYQSNDGJANJYST-UHFFFAOYSA-N,2,1,0.588,46,294,436.838,3.353,5,0.417,0.68,0.999,0.5439740250839559,0.5616732917551915,0.657160235761771,0.6759989034336235,0.6097016140086354
EOS-2-17258,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(F)c1,DTKUNHDRIHRWCS-UHFFFAOYSA-N,2,1,0.489,72,208,436.838,3.353,5,0.417,0.62,1.0,0.587682475498595,0.6821927900760743,0.5653142348022754,0.5752433006647933,0.6026082002604345
EOS-2-17259,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)nc1,IFGBWUNFVMGAPN-UHFFFAOYSA-N,2,1,0.588,46,294,436.838,3.353,5,0.417,0.66,0.999,0.5439825920087725,0.5569443492563909,0.6571688026865876,0.6729062435748064,0.6077504968816394
EOS-2-17260,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5nc[nH]n5)c4)n23)nc1Cl,QXIBBTZMVQBUNZ-UHFFFAOYSA-N,2,1,0.489,47,561,436.838,3.385,5,0.406,0.63,1.0,0.8566582139675142,0.7827513535741211,0.514752244534302,0.5493112192447399,0.6758682578301693
EOS-2-17261,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)ccn1,WGFAIIPJBKJIJS-UHFFFAOYSA-N,2,1,0.573,36,391,436.838,3.353,5,0.417,0.73,1.0,0.7773027893907203,0.7869405798094716,0.5720392707833596,0.6122524158727983,0.6871337639640874
EOS-2-17262,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cn1,IHVLYBYNSPHZGH-UHFFFAOYSA-N,2,1,0.517,73,399,436.838,3.353,5,0.417,0.7,1.0,0.5129874580220684,0.7571276814474677,0.5941590706599958,0.6180179562744157,0.6205730416009869
EOS-2-17263,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(-n4ccnc4)nn3)n12,PXSPVSKIYMFHTI-UHFFFAOYSA-N,2,1,0.588,37,563,436.838,3.181,5,0.403,0.65,1.0,0.602254814611747,0.7069683366458775,0.47611541361113013,0.5560533890754574,0.585347988486053
EOS-2-17264,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)nc1F,RCNMRYOJSSHNTF-UHFFFAOYSA-N,2,1,0.456,46,223,436.838,3.353,5,0.39,0.64,0.996,0.6274929751216504,0.5336765814543212,0.597431635939963,0.5783702282228771,0.584242855184703
EOS-2-17265,Cn1nc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)cc1-c1ccc(Cl)nc1,YXSOHEPTNMITFJ-UHFFFAOYSA-N,2,1,0.427,95,694,436.838,3.353,5,0.39,0.71,1.0,0.44232746213419233,0.46604927695154547,0.5752347337399767,0.5907751353574121,0.5185966520457816
EOS-2-17266,Cn1ccc(-c2ccnc(-c3nnc4cncc(OCc5nc(F)ccc5Cl)n34)c2)n1,IPJDOEOTKWPZCX-UHFFFAOYSA-N,2,1,0.385,46,122,436.838,3.353,5,0.39,0.61,1.0,0.38642827770543486,0.45716537591666095,0.5004540470152834,0.5092180111027346,0.4633164279350285
EOS-2-17267,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cnn1,ACGYSFICUMRWDE-UHFFFAOYSA-N,2,1,0.512,36,659,436.838,3.353,5,0.417,0.69,1.0,0.6446953601535192,0.8509012404907135,0.6006785004454801,0.6294805016791173,0.6814389006922076
EOS-2-17268,COc1cc(-c2nnc3cncc(-c4cc(F)c(-c5cnnn5C)cn4)n23)ccc1Cl,UCWOJIDAAQSQIE-UHFFFAOYSA-N,2,1,0.357,22,844,436.838,3.45,5,0.425,0.63,1.0,0.2975121650332397,0.49751559180316635,0.6485162086217532,0.6500753889383867,0.5234048385991364
EOS-2-17269,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)nn1,GZRNKQINVZPTGN-UHFFFAOYSA-N,2,1,0.566,4,391,436.838,3.353,5,0.417,0.71,1.0,0.5235590432458365,0.7438660818312659,0.6363340415324515,0.6471883352751696,0.6377368754711809
EOS-2-17270,Cn1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1-c1ccc(F)nc1,VBLAMZWWIDEQJC-UHFFFAOYSA-N,2,1,0.473,95,694,436.838,3.353,5,0.39,0.65,0.996,0.31558837639640874,0.41274587074223834,0.5147608114591187,0.5624443149886916,0.45138484339661433
EOS-2-17271,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)[nH]c1F,ZHBOEPRBYWLCNH-UHFFFAOYSA-N,2,1,0.547,4,239,436.838,3.651,5,0.448,0.57,0.998,0.5652028647796586,0.6480707285312864,0.4869011719553149,0.492778082379549,0.5482382119114523
EOS-2-17272,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)n5)n34)cn2)c1,JWFLBKLMNJJKDJ-UHFFFAOYSA-N,2,1,0.472,55,823,436.838,3.353,5,0.39,0.67,0.999,0.6417654718662189,0.7115602083476116,0.5555136728120074,0.5362380919745048,0.6112693612500857
EOS-2-17273,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nn2)cn1,UNKBMKLBDHSPIS-UHFFFAOYSA-N,2,1,0.59,54,44,436.838,3.353,5,0.417,0.74,0.996,0.5992478240010966,0.5758429854019601,0.6540590089781372,0.6700106229867727,0.6247901103419916
EOS-2-17274,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1F,NSQJRMALXNPUQW-UHFFFAOYSA-N,2,1,0.566,4,79,436.838,3.353,5,0.417,0.56,1.0,0.47572133506956343,0.6004471934754301,0.6126807621136316,0.6413970940991022,0.5825615961894318
EOS-2-17275,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4nc(F)ccc4Cl)n23)cc1,XBCVVVKTYIMYCA-UHFFFAOYSA-N,2,1,0.5,36,475,436.838,3.353,5,0.39,0.59,1.0,0.5465355356041396,0.6427592351449524,0.551966965937907,0.5816856281269276,0.5807368412034817
EOS-2-17276,Cn1cc(-c2cnc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)nc2)cn1,KRFYNQLHRPJHQP-UHFFFAOYSA-N,2,1,0.451,51,969,436.838,3.353,5,0.417,0.73,1.0,0.5439911589335892,0.6382701665410184,0.555522239736824,0.5783787951476937,0.5790405900897814
EOS-2-17277,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cn2)c1,PDEOJIBSADEYNR-UHFFFAOYSA-N,2,1,0.477,55,823,436.838,3.353,5,0.417,0.64,1.0,0.647796586937153,0.6970135700089096,0.6037882941539305,0.5877081762730451,0.6340766568432595
EOS-2-17278,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)cn1,VUSJSSJMEZAEAU-UHFFFAOYSA-N,2,1,0.537,51,969,436.838,3.353,5,0.417,0.75,1.0,0.5936964567198958,0.7913354122404221,0.6037968610787472,0.612260982797615,0.6502724282091701
EOS-2-17279,Cn1nc(-c2ccc(F)cc2)nc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,PJKXCYNJQSJXCS-UHFFFAOYSA-N,2,1,0.537,34,32,436.838,3.353,5,0.39,0.74,1.0,0.5992563909259132,0.8305547940511274,0.31175896100335826,0.4308477828798574,0.5431044822150641
EOS-2-17280,Cn1nc(-c2ccc(F)nc2)cc1-c1nnc2cncc(OCc3cc(Cl)ccn3)n12,OPURWQYTNDGDTK-UHFFFAOYSA-N,2,1,0.473,46,694,436.838,3.353,5,0.39,0.62,1.0,0.2753066959084367,0.3985333424713865,0.5004626139401,0.5461500239873894,0.4301131690768282
EOS-2-17281,Cn1cc(-c2cc(-c3nnc4cncc(OCc5nc(Cl)ccc5F)n34)ccn2)cn1,XUTWTNKKZADUSX-UHFFFAOYSA-N,2,1,0.467,92,329,436.838,3.353,5,0.39,0.71,1.0,0.442336029059009,0.5292132136248372,0.5752433006647933,0.5689894455486258,0.5289454972243163
EOS-2-17282,CCn1cc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cn1,GBHQJSVJMAOEHD-UHFFFAOYSA-N,2,1,0.481,36,706,436.838,4.05,5,0.41,0.61,1.0,0.6301744225892674,0.7571362483722843,0.4730484545267631,0.5092265780275512,0.5923964258789665
EOS-2-17283,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)ccn2)c1,OKTWOUWEZZXZEC-UHFFFAOYSA-N,2,1,0.506,7,624,436.838,3.353,5,0.417,0.61,1.0,0.5992649578507299,0.5758515523267768,0.5384997601261051,0.5393478856829552,0.5632410389966417
EOS-2-17284,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)cn1,FLHOTXNOIANJGZ-UHFFFAOYSA-N,2,1,0.483,2,36,436.838,3.353,5,0.417,0.68,1.0,0.43776985813172503,0.4660578438763621,0.6396408745116853,0.632504626139401,0.5439933006647933
EOS-2-17285,Cn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,HLRCFIUSQPHTGB-UHFFFAOYSA-N,2,1,0.523,16,79,436.838,3.353,5,0.417,0.63,1.0,0.5594544582276746,0.7298505928311974,0.6540675759029538,0.6849427729422246,0.6570788499760125
EOS-2-17286,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncn(-c4cc(F)ccn4)n3)n12,NAVAWXRABFHBNA-UHFFFAOYSA-N,2,1,0.467,73,975,436.838,3.447,5,0.416,0.66,0.998,0.32050579124117606,0.5292217805496539,0.4113837296963882,0.49895483517236655,0.44001653416489617
EOS-2-17287,COc1cc(-c2nnc3cncc(-c4nc(-c5ccnc(F)c5)nn4C)n23)ccc1Cl,JNRXMWCXPQWEKJ-UHFFFAOYSA-N,2,1,0.353,22,844,436.838,3.45,5,0.398,0.74,0.992,0.21084058666301145,0.47927660886848056,0.4188797889109725,0.46866218902062917,0.39441479336577345
EOS-2-17288,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cc1-c1cnccn1,KLELWAUUFSQOCB-UHFFFAOYSA-N,2,1,0.448,95,540,436.838,3.353,5,0.417,0.63,1.0,0.44703070385854293,0.4354824892056747,0.5451905284079227,0.602563223905147,0.5075667363443219
EOS-2-17289,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cc1F,ISFONFIPQJYHPJ-UHFFFAOYSA-N,2,1,0.472,7,94,436.838,3.353,5,0.417,0.65,1.0,0.6755191556438901,0.667551915564389,0.6126893290384483,0.6122695497224316,0.6420074874922898
EOS-2-17290,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)nc1F,OKHGSZKLFRGXMN-UHFFFAOYSA-N,2,1,0.429,46,62,436.838,3.353,5,0.39,0.65,1.0,0.5594630251524912,0.5106401206223015,0.565322801727092,0.5657083133438421,0.5502835652114317
EOS-2-17291,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)c1,SAJBHZAWJFAABG-UHFFFAOYSA-N,2,1,0.494,2,422,436.838,3.353,5,0.417,0.63,1.0,0.508018641628401,0.5336851483791378,0.6869902679734082,0.7155609622369954,0.6110637550544856
EOS-2-17292,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)[nH]n2)cc1Cl,XVHXBSDCALJFPO-UHFFFAOYSA-N,2,1,0.457,37,963,436.838,3.385,5,0.434,0.71,1.0,0.5876910424234117,0.5200808717702693,0.48335446508121443,0.5689980124734425,0.5400310979370845
EOS-2-17293,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c1,SJTBJYLNUFMLPW-UHFFFAOYSA-N,2,1,0.628,2,294,436.838,3.353,5,0.417,0.69,1.0,0.5235676101706531,0.5864317044753615,0.7079192653005277,0.7234168322938798,0.6353338530601056
EOS-2-17294,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,QMDHGYUFSBEYKC-UHFFFAOYSA-N,2,1,0.628,2,294,436.838,3.353,5,0.417,0.7,1.0,0.5261462545404701,0.5811030772393941,0.7079278322253444,0.7234253992186964,0.6346506408059763
EOS-2-17295,Cn1nc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)cc1-c1ccc(Cl)nn1,YGSULUROMIPBHK-UHFFFAOYSA-N,2,1,0.518,95,965,436.838,3.353,5,0.417,0.7,0.994,0.5154375985196354,0.5292303474744706,0.4696045507504626,0.5493197861695566,0.5158980707285313
EOS-2-17296,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)nc1F,RJIJWFHVBQKNKG-UHFFFAOYSA-N,2,1,0.398,46,565,436.838,3.353,5,0.39,0.66,1.0,0.6359313960660681,0.5707113974367761,0.6069066547871976,0.5907837022822288,0.6010832876430677
EOS-2-17297,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)[nH]c1F,LUXCSGOLMOCGKJ-UHFFFAOYSA-N,2,1,0.506,4,239,436.838,3.651,5,0.419,0.49,1.0,0.5439997258584058,0.6050818998012474,0.45559762867521075,0.4624683023781783,0.5167868891782605
EOS-2-17298,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)nc1Cl,IUGQPWMGAMOTPZ-UHFFFAOYSA-N,2,1,0.456,46,223,436.838,3.353,5,0.39,0.65,0.996,0.5992735247755465,0.5106486875471181,0.5941676375848125,0.5816941950517442,0.5714460112398053
EOS-2-17299,Fc1cc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)ccc1-c1cc[nH]n1,QFCPIRMBYIVJOH-UHFFFAOYSA-N,2,1,0.484,37,795,436.838,3.385,5,0.406,0.6,1.0,0.8932218490850524,0.8632290453018985,0.4659636077033788,0.5393564526077719,0.6904427386745253
EOS-2-17300,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)n1,AQKALDCYONIHEL-UHFFFAOYSA-N,2,1,0.449,2,422,436.838,3.353,5,0.39,0.61,1.0,0.5566959084367076,0.5065022959358508,0.662651634569255,0.6265848810910836,0.5881086800082242
EOS-2-17301,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1F,SGWMYVPXWTWACW-UHFFFAOYSA-N,2,1,0.506,4,208,436.838,3.353,5,0.417,0.65,1.0,0.6217531354944829,0.642767802069769,0.6069152217120143,0.6122781166472483,0.6209285689808786
EOS-2-17302,Cn1cnnc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4cccc(F)n4)n23)c1,HEPLSLRHIIREKQ-UHFFFAOYSA-N,2,1,0.5,36,554,436.838,3.353,5,0.39,0.67,1.0,0.5594715920773079,0.7827599204989377,0.5077445000342677,0.5560619560002742,0.6015094921526969
EOS-2-17303,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2F)n1,PFYBPJSJWCQCJR-UHFFFAOYSA-N,2,1,0.402,46,565,436.838,3.353,5,0.39,0.68,1.0,0.5594801590021246,0.5246727434720033,0.5617675279281749,0.5493283530943732,0.548812195874169
EOS-2-17304,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(F)c4Cl)n23)ccn1,SONYVPLSBRVEEF-UHFFFAOYSA-N,2,1,0.456,75,624,436.838,3.353,5,0.39,0.73,1.0,0.5992820917003633,0.5383027208553218,0.6571773696114043,0.6294890686039339,0.6060628126927559
EOS-2-17305,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)cn1,YJYAECNSQIEGSA-UHFFFAOYSA-N,2,1,0.529,36,534,436.838,3.353,5,0.417,0.7,1.0,0.5848382564594613,0.7827684874237544,0.6678089233088891,0.6789716263450072,0.678596823384278
EOS-2-17306,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ncn2)cn1,CSQDPAQFKBMUQU-UHFFFAOYSA-N,2,1,0.489,13,971,436.838,4.05,5,0.41,0.73,1.0,0.43295524638475774,0.4354910561304914,0.5845812487149613,0.6058700568843808,0.5147244020286478
EOS-2-17307,Fc1cc(-c2c[nH]nn2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,NGBJQZWHLBBVRM-UHFFFAOYSA-N,2,1,0.551,37,626,436.838,3.385,5,0.406,0.65,1.0,0.7390086354602152,0.7393427455280652,0.6841374820094579,0.718250976629429,0.7201849599067919
EOS-2-17308,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4cc(Cl)ccc4F)n23)n1,BIIMDTKUIYIVCM-UHFFFAOYSA-N,2,1,0.477,73,212,436.838,3.353,5,0.417,0.67,1.0,0.4757299019943801,0.5957953532999795,0.5214430128161195,0.5657168802686587,0.5396712870947844
EOS-2-17309,Cn1nncc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,UMEYOPWGAHMFMQ-UHFFFAOYSA-N,2,1,0.561,34,32,436.838,3.353,5,0.417,0.7,1.0,0.5790812829826606,0.8268453156055102,0.4696131176752793,0.5525409499006236,0.6070201665410184
EOS-2-17310,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1,VMOKPKJXECPYBY-UHFFFAOYSA-N,2,1,0.582,43,402,436.838,3.353,5,0.417,0.76,1.0,0.7886453978479885,0.7913439791652388,0.5974402028647796,0.6584110067850044,0.7089601466657529
EOS-2-17311,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1,KTZLOMPQULGNAP-UHFFFAOYSA-N,2,1,0.768,43,402,436.838,3.353,5,0.417,0.77,1.0,0.8432081420053458,0.8478085806318963,0.6157991227468987,0.6700191899115894,0.7442087588239326
EOS-2-17312,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1,WSXSVGVFTYCINY-UHFFFAOYSA-N,2,1,0.768,43,402,436.838,3.353,5,0.417,0.76,1.0,0.8408179699814955,0.8509098074155301,0.6158076896717154,0.670027756836406,0.7443908059762868
EOS-2-17313,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1F,VOZMLQNBWGLUCR-UHFFFAOYSA-N,2,1,0.554,16,79,436.838,3.353,5,0.39,0.63,1.0,0.6050990336508807,0.5911435131245288,0.665153176615722,0.6700363237612227,0.6328580117880886
EOS-2-17314,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c(F)c1,XQXMWHSWPVKCRL-UHFFFAOYSA-N,2,1,0.518,16,79,436.838,3.353,5,0.39,0.67,1.0,0.5594887259269412,0.5911520800493455,0.6571859365362209,0.6643221849085053,0.6180372318552532
EOS-2-17315,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1F,QDTQBNXHXPEJFJ-UHFFFAOYSA-N,2,1,0.536,16,79,436.838,3.353,5,0.417,0.6,1.0,0.6217617024192996,0.610016448495648,0.6598502501542046,0.6849513398670414,0.6441449352340484
EOS-2-17316,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2F)n1,GEFPBWDOFWXYJE-UHFFFAOYSA-N,2,1,0.472,16,94,436.838,3.353,5,0.417,0.67,1.0,0.5906723322596121,0.6532451511205538,0.5685096977588925,0.5720992392570763,0.5961316050990337
EOS-2-17317,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cn2)c1,YYHCCCCGDKRROB-UHFFFAOYSA-N,2,1,0.466,55,823,436.838,3.353,5,0.39,0.61,1.0,0.7858782811322048,0.7115687752724282,0.6246401891576999,0.5907922692070454,0.6782198786923447
EOS-2-17318,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(F)c2)n1,VTLTUQRBVWWLNF-UHFFFAOYSA-N,2,1,0.506,16,772,436.838,3.353,5,0.417,0.65,1.0,0.644703927078336,0.6970221369337263,0.584589815639778,0.5966948804057296,0.6307526900143925
EOS-2-17319,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cc[nH]n1,DUKARQRUAPGBQU-UHFFFAOYSA-N,2,1,0.484,37,482,436.838,3.385,5,0.434,0.64,1.0,0.8913628263998356,0.890574669316702,0.5147693783839353,0.584718319512028,0.7203562984031253
EOS-2-17320,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)n1,LUPCJGBZBLJUIJ-UHFFFAOYSA-N,2,1,0.549,44,488,436.838,3.353,5,0.417,0.71,0.991,0.5876996093482284,0.52468131039682,0.630260091837434,0.6357343567952848,0.5945938420944418
EOS-2-17321,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1F,XBQRMWSGPXBBKF-UHFFFAOYSA-N,2,1,0.466,16,446,436.838,3.353,5,0.39,0.73,1.0,0.584846823384278,0.6285552737989172,0.5385083270509218,0.5525495168254403,0.5761149852648892
EOS-2-17322,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)ncn1,LKTZGYISFWTGCU-UHFFFAOYSA-N,2,1,0.413,46,488,436.838,3.353,5,0.417,0.65,0.804,0.5235761770954698,0.5065108628606675,0.6457405249811528,0.6584195737098211,0.5835617846617778
EOS-2-17323,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1,APYBXYNITJWALP-UHFFFAOYSA-N,2,1,0.557,36,734,436.838,3.353,5,0.39,0.68,1.0,0.8210969090535262,0.6532537180453705,0.6069237886368309,0.5997190048660133,0.6702483551504352
EOS-2-17324,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,MUTSUOURKQQVIU-UHFFFAOYSA-N,2,1,0.387,61,917,436.838,3.45,5,0.425,0.82,1.0,0.28644369817010484,0.5569529161812076,0.5555308066616408,0.6089541498183811,0.5019703927078336
EOS-2-17325,Cn1ncnc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,GKCZPODQKORZCM-UHFFFAOYSA-N,2,1,0.56,4,10,436.838,3.353,5,0.417,0.7,1.0,0.5465441025289562,0.7483208827359331,0.5284421903913371,0.5721078061818929,0.5988537454595297
EOS-2-17326,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cnnc(-c5cn[nH]c5)c4)n23)c1,WTBPAHSYDTXIHB-UHFFFAOYSA-N,2,1,0.528,84,752,436.838,3.385,5,0.434,0.52,1.0,0.7421698307175656,0.7913525460900556,0.6869988348982249,0.7315468439448976,0.7380170139126858
EOS-2-17327,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nc2)n[nH]1,XOHWCGLBNPBQIV-UHFFFAOYSA-N,2,1,0.56,46,294,436.838,3.651,5,0.448,0.81,1.0,0.7421783976423822,0.7610513330135015,0.5812744157357275,0.5997275717908299,0.6710579295456103
EOS-2-17328,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)cc2F)n[nH]1,ZQGKKYAYJRDDOI-UHFFFAOYSA-N,2,1,0.467,4,712,436.838,3.651,5,0.448,0.62,1.0,0.6996007813035433,0.7483294496607498,0.6098279761496813,0.6357429237201014,0.6733752827085189
EOS-2-17329,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1nc[nH]n1,BOGUBLZJWNABSA-UHFFFAOYSA-N,2,1,0.5,47,164,436.838,3.385,5,0.406,0.6,1.0,0.8950723048454526,0.8602905900897814,0.5214515797409361,0.5721163731067096,0.7122327119457199
EOS-2-17330,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)n1,QHLASGMTSMIHGQ-UHFFFAOYSA-N,2,1,0.506,36,208,436.838,3.353,5,0.417,0.66,1.0,0.6190631211020492,0.7020680556507436,0.5617760948529916,0.5690065793982592,0.6129784627510109
EOS-2-17331,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)cn2)cn1,UDKSCYSSBUQNSD-UHFFFAOYSA-N,2,1,0.449,55,468,436.838,3.353,5,0.39,0.63,1.0,0.5877081762730451,0.6239377013227332,0.6788688232472072,0.6442584469878693,0.6336932869577137
EOS-2-17332,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2F)n1,MGJCPVPBPANLND-UHFFFAOYSA-N,2,1,0.413,46,62,436.838,3.353,5,0.39,0.59,1.0,0.5542886025632239,0.5020217942567337,0.5451990953327394,0.5493369200191899,0.5377116030429717
EOS-2-17333,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nc2F)n1,DJPQQZHBTWBKLB-UHFFFAOYSA-N,2,1,0.429,46,223,436.838,3.353,5,0.39,0.62,1.0,0.5567044753615242,0.4925553423343157,0.5519755328627236,0.5362466588993215,0.5343705023644713
EOS-2-17334,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cn1,KMIUEZXBNXQYTD-UHFFFAOYSA-N,2,1,0.649,36,294,436.838,3.353,5,0.417,0.78,1.0,0.7511993694743335,0.7656175039407854,0.5845983825645946,0.6210677815091494,0.6806207593722157
EOS-2-17335,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cc1-c1ccc(F)cc1,XJXMANOXWTWTFN-UHFFFAOYSA-N,2,1,0.433,95,965,436.838,3.353,5,0.417,0.68,1.0,0.4057381262422041,0.44851278185182647,0.4520166541018436,0.5258721129463367,0.4580349187855527
EOS-2-17336,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nc[nH]n1,WXXMBXMVPNBDFC-UHFFFAOYSA-N,2,1,0.545,47,164,436.838,3.385,5,0.434,0.58,1.0,0.9139109725173052,0.8824189568912343,0.6126978959632651,0.652773970255637,0.7654504489068604
EOS-2-17337,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cnc1Cl,MZTLZVCHIGRJGJ-UHFFFAOYSA-N,2,1,0.548,47,164,436.838,3.385,5,0.406,0.63,1.0,0.9394746761702419,0.8718045370433829,0.6158162565965322,0.6180265231992325,0.7612804982523473
EOS-2-17338,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2F)n1,DSPOSMLJQPWFEL-UHFFFAOYSA-N,2,1,0.449,16,379,436.838,3.353,5,0.39,0.7,1.0,0.6566205194983209,0.6822013570008909,0.514777945308752,0.5258806798711535,0.5948701254197792
EOS-2-17339,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2F)n1,SWIYLLJJHYFOCN-UHFFFAOYSA-N,2,1,0.451,46,223,436.838,3.353,5,0.39,0.57,1.0,0.4377784250565417,0.5065194297854843,0.4969416078404496,0.502758549790967,0.48599950311836065
EOS-2-17340,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2)n1,MPQMDVQIGBWZNZ-UHFFFAOYSA-N,2,1,0.465,16,19,436.838,3.353,5,0.39,0.68,1.0,0.6844887259269412,0.6480792954561031,0.4761239805359468,0.4747190048660133,0.5708527516962512
EOS-2-17341,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)nc1F,ASIMAZDLDYOIBY-UHFFFAOYSA-N,2,1,0.419,46,122,436.838,3.353,5,0.39,0.69,1.0,0.5080272085532177,0.5200894386950861,0.5077530669590844,0.5128675210746351,0.5121843088205058
EOS-2-17342,Fc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cc[nH]n1,LQMIXXYOLNCIQB-UHFFFAOYSA-N,2,1,0.406,58,954,436.838,3.385,5,0.406,0.64,0.993,0.690502707148242,0.7020766225755602,0.42988828730039064,0.48679836885751493,0.5773164964704269
EOS-2-17343,Cn1nc(-c2cccc(F)n2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,RJTPISBOYKQKKF-UHFFFAOYSA-N,2,1,0.554,34,32,436.838,3.353,5,0.39,0.66,0.999,0.7360273456240148,0.8632376122267151,0.23188952093756426,0.3676667123569324,0.5497052977863066
EOS-2-17344,Cn1nc(-c2nnc3cncc(OCc4cnccn4)n23)cc1-c1cccc(Cl)c1F,KKSUQVYDNFPFTO-UHFFFAOYSA-N,2,1,0.429,95,694,436.838,3.353,5,0.417,0.71,1.0,0.3496333356178466,0.41275443766705505,0.5214601466657529,0.5721249400315263,0.4639932149955452
EOS-2-17345,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c(F)c2)n1,LIZJPJFCLNJKKF-UHFFFAOYSA-N,2,1,0.506,16,610,436.838,3.353,5,0.39,0.69,1.0,0.6755277225687067,0.7346223699540813,0.5974487697895964,0.5967034473305463,0.6510755774107326
EOS-2-17346,Cn1nc(-c2cc(F)ccn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,IIUQMTZZHSZFJK-UHFFFAOYSA-N,2,1,0.575,34,32,436.838,3.353,5,0.417,0.67,0.997,0.6933469261873758,0.8442019052840792,0.2568364060037009,0.40857377835652114,0.5507397539579193
EOS-2-17347,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)cn1,QVRMRAVXIHQMQK-UHFFFAOYSA-N,2,1,0.467,55,390,436.838,3.353,5,0.39,0.63,1.0,0.4564114865327942,0.6773182098553903,0.5583835926255911,0.5624528819135083,0.563641542731821
EOS-2-17348,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)n1,QGYXTMQUOGGWEJ-UHFFFAOYSA-N,2,1,0.561,43,258,436.838,3.353,5,0.417,0.72,1.0,0.684497292851758,0.8718131039681996,0.545207662257556,0.6152594064834487,0.6791943663902406
EOS-2-17349,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(Cl)cc5CO)n34)cn2)nn1,YKVKXPPVFHOSEJ-UHFFFAOYSA-N,2,1,0.313,22,844,436.838,2.934,5,0.461,0.66,0.866,0.20232506339524364,0.42184394489753957,0.6302686587622507,0.6935610993077925,0.4869996915907066
EOS-2-17350,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)cn1,YRDFXAYDNRXRNW-UHFFFAOYSA-N,2,1,0.518,36,208,436.838,3.353,5,0.417,0.72,1.0,0.5708570351586595,0.6626944691933384,0.6273302035501337,0.6294976355287506,0.6225948358577206
EOS-2-17351,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)cn1,GBZXTPMNCFYFLS-UHFFFAOYSA-N,2,1,0.483,36,208,436.838,3.353,5,0.417,0.71,1.0,0.5877167431978617,0.672452196559523,0.6158248235213488,0.6180350901240491,0.6235072133506957
EOS-2-17352,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cn1,OSSKXRYQXLFFTE-UHFFFAOYSA-N,2,1,0.5,73,446,436.838,3.353,5,0.417,0.73,1.0,0.5235847440202864,0.7784079226920705,0.5350387225001714,0.5591888835583579,0.5990550681927216
EOS-2-17353,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)ccc1Cl,BTFBFVZQHJUEJB-UHFFFAOYSA-N,2,1,0.671,84,360,436.838,3.385,5,0.434,0.67,1.0,0.8858885614419848,0.8689860187786992,0.6763330135014735,0.7043725584264272,0.7838950380371461
EOS-2-17354,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)c1,UJZATESIEGTWDP-UHFFFAOYSA-N,2,1,0.516,84,672,436.838,3.385,5,0.434,0.62,1.0,0.7800527722568706,0.847817147556713,0.6513604276608869,0.701802480981427,0.7452582071139744
EOS-2-17355,Cn1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1-c1ncccn1,UOUZNIHCRBKTMS-UHFFFAOYSA-N,2,1,0.433,95,910,436.838,3.353,5,0.417,0.74,1.0,0.46084915358782813,0.4485213487766431,0.44822150640805974,0.5092351449523679,0.4667067884312247
EOS-2-17356,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,CEUJEBQXJNHKIE-UHFFFAOYSA-N,2,1,0.556,73,32,436.838,3.353,5,0.417,0.71,1.0,0.6631999177575217,0.8268538825303269,0.3792149270098006,0.4593670755945446,0.5821589507230485
EOS-2-17357,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1F,SBOGCFRSKXQJHR-UHFFFAOYSA-N,2,1,0.476,51,196,436.838,3.353,5,0.417,0.67,1.0,0.7913868137893222,0.677326776780207,0.5617846617778083,0.5690151463230758,0.6498783496676033
EOS-2-17358,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4cccc(Cl)c4F)n23)cc1,YARDOVFWDSPEGA-UHFFFAOYSA-N,2,1,0.573,43,402,436.838,3.353,5,0.417,0.77,1.0,0.6662411760674388,0.8036203824275238,0.5720478377081762,0.6414056610239188,0.6708287643067644
EOS-2-17359,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)nc1,AHALVWSCFPWDFO-UHFFFAOYSA-N,2,1,0.588,46,294,436.838,3.353,5,0.417,0.79,1.0,0.6875042834624083,0.6872130080186416,0.5876910424234117,0.6237577959015832,0.6465415324515112
EOS-2-17360,Cn1nc(-c2ncc(Cl)cn2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,DPSXCEGICMNUCA-UHFFFAOYSA-N,2,1,0.556,73,32,436.838,3.353,5,0.417,0.72,1.0,0.6632084846823384,0.815245699403742,0.37922349393461724,0.45602597491604413,0.5784259132341855
EOS-2-17361,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1,OSYRJJWLIZDEHV-UHFFFAOYSA-N,2,1,0.64,43,402,436.838,3.353,5,0.417,0.77,1.0,0.8335446508121445,0.9049328353094374,0.609836543074498,0.6729148104996231,0.7553072099239256
EOS-2-17362,Cn1nccc1-c1nccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1,UDEMJZXUSFUOJA-UHFFFAOYSA-N,2,1,0.523,4,391,436.838,3.353,5,0.417,0.7,1.0,0.6359399629908848,0.8036289493523405,0.4902080049345487,0.5194383524090193,0.6123038174216984
EOS-2-17363,Cn1nccc1-c1nccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,JCBKRHFMOUJZRV-UHFFFAOYSA-N,2,1,0.517,4,29,436.838,3.353,5,0.417,0.66,1.0,0.5465526694537729,0.782777054348571,0.44823007333287646,0.48978822561853197,0.566837005688438
EOS-2-17364,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1F,WCZKQYAQRSMSBT-UHFFFAOYSA-N,2,1,0.456,73,379,436.838,3.353,5,0.39,0.69,1.0,0.745228222877116,0.6773353437050237,0.5617932287026249,0.5690237132478926,0.6383451271331644
EOS-2-17365,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cc[nH]n1,KWSXNPKRNZABOF-UHFFFAOYSA-N,2,1,0.484,20,279,436.838,3.385,5,0.434,0.64,1.0,0.8724042217805497,0.8340329655266946,0.5248440819683367,0.5877167431978617,0.7047495031183606
EOS-2-17366,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,IUBPGRFPWGWWSM-UHFFFAOYSA-N,2,1,0.523,4,391,436.838,3.353,5,0.417,0.68,1.0,0.6359485299157015,0.823033034062093,0.26781063669385236,0.38669385237475157,0.5283715132615996
EOS-2-17367,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1-c1ccc(F)nc1,JTXCQPRTPPYVSP-UHFFFAOYSA-N,2,1,0.477,95,694,436.838,3.353,5,0.39,0.73,0.999,0.42877458707422383,0.39854190939620315,0.5685182646837091,0.5783873620725104,0.4935555308066616
EOS-2-17368,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)n1,DVYYUNXKYFHEEL-UHFFFAOYSA-N,2,1,0.689,43,258,436.838,3.353,5,0.417,0.74,1.0,0.9062778425056541,0.9372644095675416,0.5583921595504078,0.6414142279487355,0.7608371598930848
EOS-2-17369,CCn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,IKMKOFNSCSHPQL-UHFFFAOYSA-N,2,1,0.43,13,252,436.838,4.05,5,0.41,0.68,1.0,0.5388510040435885,0.795079158385306,0.4482386402576931,0.5331796998149544,0.5788371256253855
EOS-2-17370,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,HSVFPWCJOUKJRJ-UHFFFAOYSA-N,2,1,0.617,91,803,436.838,3.385,5,0.434,0.71,1.0,0.9433726269618258,0.928149201562607,0.6513689945857035,0.707242478240011,0.8075333253375369
EOS-2-17371,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cn2)cn1,HDWWAUNTGOQRJW-UHFFFAOYSA-N,2,1,0.529,73,399,436.838,3.353,5,0.417,0.71,1.0,0.5877253101226784,0.7161692138989788,0.6485247755465698,0.6384757727366185,0.6477237680762113
EOS-2-17372,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cn2)cn1,OMRTVOKRCDHFAV-UHFFFAOYSA-N,2,1,0.466,55,468,436.838,3.353,5,0.39,0.64,1.0,0.5992906586251799,0.5758601192515934,0.6706188746487561,0.6295062024535673,0.6188189637447742
EOS-2-17373,Cn1nc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1-c1cncnc1,CYUJAGKWTIMSEY-UHFFFAOYSA-N,2,1,0.432,95,998,436.838,3.353,5,0.417,0.77,0.999,0.44234459598382564,0.4218525118223562,0.6038054280035638,0.6500839558632033,0.5295216229182372
EOS-2-17374,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccn1,LNCYIDBIFPDHJC-UHFFFAOYSA-N,2,1,0.662,59,294,436.838,3.353,5,0.417,0.75,1.0,0.6724093619354397,0.6285638407237338,0.5781560551024604,0.6089627167431979,0.6220229936262078
EOS-2-17375,CCn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ncn1,FOTFZLVXSGPEPJ-UHFFFAOYSA-N,2,1,0.371,44,971,436.838,4.05,5,0.41,0.68,1.0,0.5154461654444521,0.5154547323692688,0.5555393735864574,0.5847268864368447,0.5427917894592558
EOS-2-17376,Cn1ncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)n1,QYUZZIIPJRYUAU-UHFFFAOYSA-N,2,1,0.462,4,391,436.838,3.353,5,0.417,0.77,1.0,0.5080357754780344,0.5758686861764101,0.5584007264752244,0.6025717908299637,0.5612192447399081
EOS-2-17377,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1-c1cncnc1,LNZSWQUKCKIMBK-UHFFFAOYSA-N,2,1,0.588,95,998,436.838,3.353,5,0.417,0.79,1.0,0.5310808032348708,0.4792851757932972,0.6540761428277705,0.6789801932698238,0.5858555787814406
EOS-2-17378,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccc2F)cn1,FSNOVTPNKPTSJK-UHFFFAOYSA-N,2,1,0.5,51,196,436.838,3.353,5,0.417,0.72,1.0,0.6507264752244535,0.6872215749434583,0.5876996093482284,0.5997361387156467,0.6313459495579467
EOS-2-17379,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1Cl,BHRALHZBSKHPNK-UHFFFAOYSA-N,2,1,0.767,91,781,436.838,3.385,5,0.434,0.79,1.0,0.944323555616476,0.9281577684874237,0.7054177232540607,0.7342625591117813,0.8280404016174354
EOS-2-17380,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccc2F)cn1,WBOMMUBGEZEXED-UHFFFAOYSA-N,2,1,0.494,36,394,436.838,3.353,5,0.417,0.74,1.0,0.5542971694880405,0.6921047220889589,0.6331899801247344,0.6384843396614351,0.6295190528407922
EOS-2-17381,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)n1,FHXJHNXTNWNUDG-UHFFFAOYSA-N,2,1,0.59,43,258,436.838,3.353,5,0.417,0.71,1.0,0.7482694811870331,0.8824275238160509,0.5685268316085258,0.6265934480159002,0.7064543211568775
EOS-2-17382,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,LPPLSVLLWZCFNJ-UHFFFAOYSA-N,2,1,0.516,84,672,436.838,3.385,5,0.434,0.65,1.0,0.8478342814063464,0.8878675210746351,0.5941762045096293,0.6442670139126859,0.7435362552258241
EOS-2-17383,Fc1cc(-c2cn[nH]c2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,LBIWMQCWTJDEMF-UHFFFAOYSA-N,2,1,0.478,37,482,436.838,3.385,5,0.434,0.67,1.0,0.8184068946610924,0.877347337399767,0.5618017956274416,0.6295147693783839,0.7217676992666713
EOS-2-17384,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)ccc1Cl,YQRJSOPEUDUFPU-UHFFFAOYSA-N,2,1,0.671,84,360,436.838,3.385,5,0.434,0.66,1.0,0.9310705229250908,0.90009252278802,0.6217188677952162,0.6471969021999863,0.7750197039270783
EOS-2-17385,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(F)c1,KGOGEWVXEOXEGL-UHFFFAOYSA-N,2,1,0.506,16,772,436.838,3.353,5,0.417,0.71,1.0,0.6447124940031527,0.6627030361181551,0.5846069494894113,0.612286683572065,0.626077290795696
EOS-2-17386,Cn1nc(-c2cccnc2F)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,RFWFOSSXZXZRQL-UHFFFAOYSA-N,2,1,0.556,34,32,436.838,3.353,5,0.39,0.72,0.992,0.7057004317730108,0.860299157014598,0.26061441984785144,0.3867024192995682,0.5533291069837571
EOS-2-17387,Cn1nc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,NUBZUIFXHFDTBR-UHFFFAOYSA-N,2,1,0.531,73,391,436.838,3.353,5,0.417,0.76,1.0,0.6566290864231376,0.8189723116989925,0.33743403467891164,0.44329552463847577,0.5640827393598794
EOS-2-17388,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccn1,SJQZNYDISIFVJQ-UHFFFAOYSA-N,2,1,0.662,59,294,436.838,3.353,5,0.417,0.74,1.0,0.6693252690014393,0.6335754917414845,0.5781646220272771,0.6089712836680146,0.6225091666095539
EOS-2-17389,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,GJUJMHQUBQUUQG-UHFFFAOYSA-N,2,1,0.641,91,499,436.838,3.385,5,0.434,0.75,1.0,0.9412137619080255,0.9263073127270235,0.6816102391885409,0.7234339661435131,0.8181413199917758
EOS-2-17390,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,BMMBGWUBOMBEFV-UHFFFAOYSA-N,2,1,0.561,43,402,436.838,3.353,5,0.417,0.78,1.0,0.6507350421492701,0.8878760879994517,0.5418579946542389,0.6357514906449181,0.6790551538619697
EOS-2-17391,Fn1cc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,RZSVTMSDNRSGFO-UHFFFAOYSA-N,2,1,0.506,75,583,436.838,3.452,5,0.402,0.75,1.0,0.5817455966006443,0.6004557604002467,0.3526488931533137,0.4341117812350079,0.4922405078473032
EOS-2-17392,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(F)cc3Cl)n12,KXHGDIYKQUURBO-UHFFFAOYSA-N,2,1,0.517,34,446,436.838,3.353,5,0.417,0.72,0.992,0.5054742649578507,0.7020851895003769,0.2282314440408471,0.3612072510451648,0.4492495373860599
EOS-2-17393,Cn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,SJYSROLQMVHYQY-UHFFFAOYSA-N,2,1,0.556,34,32,436.838,3.353,5,0.417,0.71,1.0,0.7360359125488315,0.8773559043245837,0.2535124391748338,0.3991672949078199,0.5665178877390172
EOS-2-17394,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)n(C)n1,MZJGFRGZWILFHF-UHFFFAOYSA-N,2,1,0.471,13,251,436.838,3.875,5,0.422,0.76,1.0,0.435114111438558,0.5864402714001782,0.38279590158316773,0.4467051607155096,0.4627638612843533
EOS-2-17395,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)c1,IGEBWXWQZAFMPG-UHFFFAOYSA-N,2,1,0.562,43,402,436.838,3.353,5,0.417,0.75,1.0,0.6106418340072648,0.7346309368788979,0.49695017476526626,0.6025803577547804,0.6112008258515523
EOS-2-17396,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1,NLDWQGYCILNEAF-UHFFFAOYSA-N,2,1,0.6,91,499,436.838,3.385,5,0.434,0.76,1.0,0.9332636556781577,0.9387207867863752,0.6816188061133576,0.7315554108697142,0.8212896648619012
EOS-2-17397,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)ccc1Cl,DUCMGVZMEAFWKM-UHFFFAOYSA-N,2,1,0.767,91,781,436.838,3.385,5,0.434,0.77,1.0,0.9460626413542594,0.9281663354122405,0.7054262901788774,0.7342711260365979,0.8284815982454938
EOS-2-17398,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)n1,UYYNQJSOLDAELH-UHFFFAOYSA-N,2,1,0.768,43,258,436.838,3.353,5,0.417,0.76,1.0,0.8546706874100473,0.8305633609759441,0.6187547118086492,0.65009252278802,0.7385203207456651
EOS-2-17399,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cc2)n1,JJPWSHUGFRRURE-UHFFFAOYSA-N,2,1,0.582,43,258,436.838,3.353,5,0.417,0.72,1.0,0.8132067712973751,0.7610598999383181,0.6006870673702968,0.6384929065862518,0.7033616612980604
EOS-2-17400,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)n1,RRYNQFFVGQPVOD-UHFFFAOYSA-N,2,1,0.768,43,258,436.838,3.353,5,0.417,0.76,1.0,0.8589884175176479,0.8230416009869097,0.6187632787334658,0.6501010897128366,0.7377235967377149
EOS-2-17401,Cc1cc(-c2nnn(C)n2)cc(F)c1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,CNNNLQITSADCMJ-UHFFFAOYSA-N,2,1,0.524,34,941,436.838,3.875,5,0.422,0.79,1.0,0.630182989514084,0.8189808786238092,0.5284507573161538,0.57525186758961,0.6382166232609142
EOS-2-17402,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)n5)n34)cn2)n1,WOXKKXNEDBOZBI-UHFFFAOYSA-N,2,1,0.472,4,617,436.838,3.353,5,0.39,0.64,1.0,0.5413439791652388,0.6148738948666986,0.535047289424988,0.5162343225275855,0.5518748714961277
EOS-2-17403,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cn2)n1,NULVRLWPCWDNEE-UHFFFAOYSA-N,2,1,0.477,55,469,436.838,3.353,5,0.417,0.62,1.0,0.5206120211089027,0.5864488383249948,0.5812829826605441,0.5690322801727092,0.5643440305667877
EOS-2-17404,Cn1c(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cn2)cnc1Cl,PPLVGWBLIXWUAD-UHFFFAOYSA-N,2,1,0.467,55,786,436.838,3.353,5,0.39,0.65,1.0,0.6106504009320814,0.6577427866493044,0.4761325474607635,0.47770886162703036,0.5555586491672949
EOS-2-17405,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c(F)c2)n1,FDDUFEOQAOOPOS-UHFFFAOYSA-N,2,1,0.535,4,554,436.838,3.353,5,0.39,0.66,1.0,0.5543057364128572,0.6627116030429717,0.5004711808649167,0.5162428894524022,0.558432852443287
EOS-2-17406,Cc1cncc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n(C)n2)n1,VAMWSWTXUAYASG-UHFFFAOYSA-N,2,1,0.461,13,706,436.838,3.875,5,0.422,0.65,1.0,0.4608577205126448,0.6577513535741211,0.4869097388801316,0.5092437118771845,0.5286906312110204
EOS-2-17407,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cc2)n1,ILEUPTXELDVJIQ-UHFFFAOYSA-N,2,1,0.556,36,320,436.838,3.353,5,0.417,0.67,1.0,0.5848553903090946,0.6480878623809198,0.57525186758961,0.5624614488383249,0.5926641422794874
EOS-2-17408,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,CBLPPQXSOMCTRR-UHFFFAOYSA-N,2,1,0.697,91,6,436.838,3.385,5,0.434,0.72,1.0,0.9286289493523405,0.9558974710437941,0.6626602014940717,0.7261068466863135,0.8183233671441299
EOS-2-17409,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cc1-c1ccc(Cl)nc1,GQUCNOFAYNHIGX-UHFFFAOYSA-N,2,1,0.429,95,694,436.838,3.353,5,0.39,0.73,0.998,0.4423531629086423,0.4307706805565074,0.5584092934000411,0.5908008361318621,0.5055834932492632
EOS-2-17410,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)n1,POZBGYKYHGEHHC-UHFFFAOYSA-N,2,1,0.608,43,258,436.838,3.353,5,0.417,0.75,1.0,0.8081437187307244,0.8689945857035158,0.5908865053800287,0.6385014735110685,0.7266315708313343
EOS-2-17411,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)nc1Cl,OITJFYCLDIARJD-UHFFFAOYSA-N,2,1,0.429,46,959,436.838,3.353,5,0.39,0.66,1.0,0.6507436090740868,0.5569614831060242,0.4799448290041807,0.4839798505928312,0.5429074429442806
EOS-2-17412,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ccc(F)cc1,TUMMTGYNEVEVRI-UHFFFAOYSA-N,2,1,0.459,95,965,436.838,3.353,5,0.417,0.67,0.999,0.4518881502295936,0.45274484271126036,0.3975995476663697,0.4807072853128641,0.4457349564800219
EOS-2-17413,Cn1nc(-c2nnc3cncc(OCc4ccncn4)n23)cc1-c1ccc(F)c(Cl)c1,JDJCHXPQDSPGLM-UHFFFAOYSA-N,2,1,0.451,95,998,436.838,3.353,5,0.417,0.69,1.0,0.4057466931670208,0.46606641080117883,0.5781731889520938,0.6089798505928312,0.5147415358782812
EOS-2-17414,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)n1,GMNGQWOKCXNIQR-UHFFFAOYSA-N,2,1,0.506,34,877,436.838,3.353,5,0.417,0.71,1.0,0.5361609896511548,0.605090466726064,0.3863940100061682,0.47472757179082997,0.5005932595435543
EOS-2-17415,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cncc(-c4nc[nH]n4)c3)n12,PDOBIMJRBKHWEG-UHFFFAOYSA-N,2,1,0.535,84,749,436.838,3.385,5,0.434,0.66,1.0,0.7715372489891029,0.7438746487560826,0.6069323555616476,0.6613922966212048,0.6959341374820095
EOS-2-17416,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nn2)n1,VSASYIVNXPMYSE-UHFFFAOYSA-N,2,1,0.536,36,391,436.838,3.353,5,0.417,0.66,1.0,0.6190716880268659,0.7699181001987526,0.5486344321842231,0.5783959289973272,0.6290050373517923
EOS-2-17417,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)nc1F,FUSJBNLSDOFPCR-UHFFFAOYSA-N,2,1,0.419,46,122,436.838,3.353,5,0.39,0.72,1.0,0.5337108491535878,0.542834624083339,0.39760811459118633,0.42161263792748954,0.4739415564389007
EOS-2-17418,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5nc[nH]n5)c4)n23)c1,SDKQBZXYXSSHMM-UHFFFAOYSA-N,2,1,0.517,84,35,436.838,3.385,5,0.434,0.66,1.0,0.7657974093619354,0.7827856212733877,0.6396494414365019,0.6876927558083751,0.71898130697005
EOS-2-17419,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cn2)cn1,VRGYHHHQDMVDJY-UHFFFAOYSA-N,2,1,0.477,92,468,436.838,3.353,5,0.417,0.7,1.0,0.46807107120827907,0.5661623603591255,0.6513775615105202,0.6266020149407169,0.5780532520046604
EOS-2-17420,Cn1cc(-c2ccnnc2COc2cncc3nnc(-c4c(F)cccc4Cl)n23)cn1,YCGIXBMGRYPWPR-UHFFFAOYSA-N,2,1,0.482,36,877,436.838,3.353,5,0.417,0.6,1.0,0.4329638133095744,0.5661709272839421,0.5720564046329929,0.6122952504968816,0.5458715989308477
EOS-2-17421,Cn1ncnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)c(Cl)c4)nc3)n12,KDDSBBXEWMDDEH-UHFFFAOYSA-N,2,1,0.46,59,391,436.838,3.353,5,0.417,0.73,1.0,0.562255842642725,0.6532622849701871,0.48691830580494827,0.5591974504831746,0.5654084709752587
EOS-2-17422,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)n[nH]1,CATNESRKFHBJBA-UHFFFAOYSA-N,2,1,0.625,59,294,436.838,3.651,5,0.448,0.78,1.0,0.7913953807141388,0.8509183743403468,0.5846155164142279,0.602588924679597,0.7073795490370776
EOS-2-17423,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cn2)n[nH]1,VOBCOGRLRVNEFP-UHFFFAOYSA-N,2,1,0.478,59,910,436.838,3.651,5,0.448,0.75,1.0,0.7452367898019328,0.7993797546432733,0.5653313686519087,0.5908094030566787,0.6751893290384484
EOS-2-17424,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cn1,CNYPIVUNDOUNJF-UHFFFAOYSA-N,2,1,0.494,55,332,436.838,3.353,5,0.417,0.67,1.0,0.5180419436639024,0.6050990336508807,0.5908950723048455,0.6385100404358851,0.5881365225138784
EOS-2-17425,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cncc(-c5nc[nH]n5)c4)n23)c1,KHWMYSRZYWFDNO-UHFFFAOYSA-N,2,1,0.56,84,752,436.838,3.385,5,0.434,0.61,1.0,0.7178911657871291,0.7483380165855664,0.6273387704749503,0.6700448906860393,0.6909032108834213
EOS-2-17426,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cn1,GYTSVKSXZRIQCO-UHFFFAOYSA-N,2,1,0.649,59,294,436.838,3.353,5,0.417,0.7,1.0,0.587733877047495,0.6921132890137757,0.6426735658967857,0.6671664039476389,0.6474217839764238
EOS-2-17427,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1F,YBHYEADUZFVBCN-UHFFFAOYSA-N,2,1,0.524,36,610,436.838,3.353,5,0.39,0.63,1.0,0.7998937701322734,0.7827941881982043,0.6098451099993146,0.6325131930642177,0.7062615653485025
EOS-2-17428,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4Cl)n23)cc1,GRZRJLJKQNUDJK-UHFFFAOYSA-N,2,1,0.524,36,734,436.838,3.353,5,0.417,0.75,1.0,0.6478051538619697,0.6239462682475498,0.507761633883901,0.5493454869440065,0.5822146357343567
EOS-2-17429,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1,KJDQYSHPTFJPGS-UHFFFAOYSA-N,2,1,0.524,36,734,436.838,3.353,5,0.417,0.7,1.0,0.6537677335343705,0.6195771365910493,0.5077702008087177,0.5431773010760057,0.5810730930025358
EOS-2-17430,Cn1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1-c1ccccc1F,BUMCPARVNIROGR-UHFFFAOYSA-N,2,1,0.387,95,965,436.838,3.353,5,0.39,0.7,0.999,0.3952522102666027,0.4485299157014598,0.3753598108423,0.4654924268384621,0.42115859091220614
EOS-2-17431,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cn1,FMKBEADZHQBGNW-UHFFFAOYSA-N,2,1,0.462,55,283,436.838,3.353,5,0.39,0.64,1.0,0.7057089986978274,0.6148824617915153,0.6426821328216024,0.6089884175176479,0.6430655027071482
EOS-2-17432,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)[nH]c1F,IERQGXUIZIQYND-UHFFFAOYSA-N,2,1,0.511,55,239,436.838,3.651,5,0.419,0.59,1.0,0.7421869645671989,0.6335840586663012,0.5418665615790556,0.5258892467959702,0.6108817079021315
EOS-2-17433,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)cn1,XILFRKZJTBKNEE-UHFFFAOYSA-N,2,1,0.494,16,45,436.838,3.353,5,0.417,0.68,1.0,0.6079004180659311,0.6921218559385923,0.5486429991090398,0.5939448975395792,0.6106525426632856
EOS-2-17434,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cn1,MSBODJQNHSMXHI-UHFFFAOYSA-N,2,1,0.641,59,294,436.838,3.353,5,0.417,0.73,1.0,0.7057175656226441,0.7438832156808992,0.5752604345144267,0.6025974916044137,0.6568646768555959
EOS-2-17435,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cn1,AUZWZPOVTQXGKB-UHFFFAOYSA-N,2,1,0.477,16,332,436.838,3.353,5,0.417,0.74,1.0,0.5964978411349462,0.6627201699677884,0.5183332191076692,0.5752604345144267,0.5882029161812076
EOS-2-17436,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5nc[nH]n5)c4)n23)cc1Cl,GSYCIHLIHFMCJK-UHFFFAOYSA-N,2,1,0.655,84,360,436.838,3.385,5,0.434,0.67,1.0,0.8211054759783428,0.7869491467342883,0.6651617435405387,0.6904598725241587,0.7409190596943321
EOS-2-17437,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncn[nH]1,XSYSZQQRBHRRNC-UHFFFAOYSA-N,2,1,0.586,37,669,436.838,3.385,5,0.406,0.67,1.0,0.9443321225412926,0.8905832362415187,0.6626687684188883,0.684959906791858,0.7956360084983894
EOS-2-17438,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cn1,MTTHWSQZJHTPLW-UHFFFAOYSA-N,2,1,0.641,59,294,436.838,3.353,5,0.417,0.74,1.0,0.7057261325474607,0.7438917826057159,0.5752690014392434,0.6026060585292303,0.6568732437804126
EOS-2-17439,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1,SOTNQDDKHLQSGG-UHFFFAOYSA-N,2,1,0.535,36,391,436.838,3.353,5,0.417,0.76,1.0,0.669333835926256,0.8340415324515112,0.47614111438558016,0.5362552258241382,0.6289429271468714
EOS-2-17440,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2F)n1,CQRDOTWLSCGAOP-UHFFFAOYSA-N,2,1,0.489,16,212,436.838,3.353,5,0.417,0.65,1.0,0.6079089849907477,0.6427763689945857,0.5846240833390446,0.5784044959221438,0.6034284833116305
EOS-2-17441,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(-c2ncccn2)n1,MFBWSRUHMAZCOE-UHFFFAOYSA-N,2,1,0.517,73,446,436.838,3.353,5,0.417,0.64,1.0,0.5005311493386334,0.7206411486532794,0.39005208690288534,0.4718148173531629,0.5207598005619902
EOS-2-17442,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cncc(-c4nc[nH]n4)c3)n12,ZFJRKNVYMDQMRW-UHFFFAOYSA-N,2,1,0.517,84,35,436.838,3.385,5,0.434,0.68,1.0,0.7658059762867521,0.782802755123021,0.6396580083613186,0.6820814200534576,0.7175870399561373
EOS-2-17443,Cc1cncn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nn1,RYEIZSHPZJRSRN-UHFFFAOYSA-N,2,1,0.523,4,10,436.838,3.447,5,0.416,0.64,1.0,0.4216554725515729,0.6724607634843397,0.5183417860324858,0.5560705229250908,0.5421321362483723
EOS-2-17444,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)[nH]c1F,XNHSELRLGIKKKX-UHFFFAOYSA-N,2,1,0.462,55,283,436.838,3.651,5,0.448,0.64,1.0,0.6815245699403742,0.7020937564251936,0.5315262833253376,0.5362637927489549,0.612852100609965
EOS-2-17445,Fc1ccc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)cc1-c1cnoc1,MPHFOGQDQKGVIT-UHFFFAOYSA-N,2,1,0.588,35,494,436.834,4.255,5,0.393,0.66,1.0,0.8932304160098691,0.8442104722088959,0.8394386950860119,0.8607189363306148,0.8593996299088479
EOS-2-17446,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)o1,WOARBWKXMXUZQF-UHFFFAOYSA-N,2,1,0.736,43,96,436.834,4.521,5,0.4,0.8,1.0,0.9548780069906107,0.9263158796518401,0.7857926118840382,0.7726338153656364,0.8599050784730313
EOS-2-17447,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)n1,PFRWBTYCWNKZLM-UHFFFAOYSA-N,2,1,0.736,43,96,436.834,4.521,5,0.4,0.8,1.0,0.9468165307381262,0.8744774175861832,0.7814149133027208,0.7679048728668357,0.8426534336234666
EOS-2-17448,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cnco1,QMTJWWRMCPUHKO-UHFFFAOYSA-N,2,1,0.541,11,639,436.834,4.255,5,0.367,0.75,1.0,0.9343345212802412,0.8478257144815297,0.7261582482352135,0.74992289767665,0.8145603454184086
EOS-2-17449,Fc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ncco1,IGEWKTPRMNSJDN-UHFFFAOYSA-N,2,1,0.563,11,490,436.834,4.255,5,0.393,0.58,1.0,0.9139195394421219,0.8478342814063464,0.6950860119251594,0.7234425330683298,0.7950705914604894
EOS-2-17450,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)o1,BVXGLLQGDCBEBH-UHFFFAOYSA-N,2,1,0.494,2,884,436.834,4.521,5,0.4,0.75,1.0,0.7630045918717018,0.7346395038037146,0.8344784456171612,0.8134894798163251,0.7864030052772256
EOS-2-17451,Fc1ccncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)c1,ZHEVASLYNXSLHS-UHFFFAOYSA-N,2,1,0.436,18,367,436.834,4.255,5,0.393,0.7,1.0,0.7421955314920157,0.6148910287163319,0.7416558152285656,0.772642382290453,0.7178461894318415
EOS-2-17452,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)o1,YGHLSERZCXJXGD-UHFFFAOYSA-N,2,1,0.675,43,11,436.834,4.521,5,0.4,0.81,1.0,0.9014803646083202,0.8570265917346309,0.7676307312727023,0.765574669316702,0.8229280892330889
EOS-2-17453,Cc1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)n1,CPDMZYXUVSXKCE-UHFFFAOYSA-N,2,1,0.512,59,109,436.834,4.521,5,0.4,0.77,1.0,0.8335532177369611,0.8036375162771572,0.7341083544650813,0.7234510999931465,0.7736875471180865
EOS-2-17454,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5ncon5)c4)n23)ccc1Cl,UDCZQSAONMAKPN-UHFFFAOYSA-N,2,1,0.814,91,781,436.834,4.255,5,0.393,0.78,1.0,0.8913713933246522,0.757144815297101,0.787625933794805,0.7982831882667397,0.8086063326708244
EOS-2-17455,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)cc4)n23)ccc1Cl,YXFMYCKJUCDZEX-UHFFFAOYSA-N,2,1,0.757,91,781,436.834,4.255,5,0.393,0.76,1.0,0.9502861352888767,0.8957148242067028,0.8199575080529093,0.8156483448701254,0.8704017031046535
EOS-2-17456,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)cn4)n23)ccc1Cl,JSVPHCQWUHXFLJ-UHFFFAOYSA-N,2,1,0.641,84,308,436.834,4.255,5,0.393,0.8,1.0,0.8658419573709821,0.7699266671235693,0.8026266191487903,0.8003820848468234,0.8096943321225413
EOS-2-17457,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccon5)nc4)n23)ccc1Cl,TVXDISQIAAPACY-UHFFFAOYSA-N,2,1,0.74,84,360,436.834,4.255,5,0.393,0.75,1.0,0.887816119525735,0.8540453018984305,0.7767459392776369,0.7866835720649715,0.8263227331916935
EOS-2-17458,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)no1,HKVBJPHWOWCFPY-UHFFFAOYSA-N,2,1,0.549,43,630,436.834,4.521,5,0.4,0.76,1.0,0.7539579192653005,0.7115773421972449,0.7364556918648482,0.742341169213899,0.7360830306353231
EOS-2-17459,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)o1,QMVAIBYWNLDSNQ-UHFFFAOYSA-N,2,1,0.411,59,332,436.834,4.521,5,0.4,0.78,1.0,0.7422040984168323,0.6427849359194023,0.769806730176136,0.7602546090055514,0.7287625933794806
EOS-2-17460,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cocn5)ccn4)n23)ccc1Cl,ZVNMEHNVDBKAKK-UHFFFAOYSA-N,2,1,0.605,11,692,436.834,4.255,5,0.393,0.63,1.0,0.6845058597765746,0.5477263381536563,0.7835652114317044,0.7913268453156055,0.7017810636693853
EOS-2-17461,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)on4)n23)n1,NPBCREAXJLPOGG-UHFFFAOYSA-N,2,1,0.457,11,848,436.834,4.255,5,0.367,0.78,1.0,0.5877424439723117,0.5428431910081557,0.6158333904461655,0.6989325611678432,0.6113378966486189
EOS-2-17462,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)nc4)n23)c(Cl)c1,YATNVQBHIPFNPJ-UHFFFAOYSA-N,2,1,0.605,84,56,436.834,4.255,5,0.393,0.72,1.0,0.8311716126379275,0.8570351586594476,0.7211808649167295,0.7396425878966486,0.7872575560276882
EOS-2-17463,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)ccn2)o1,RGDYACQFDCMSCV-UHFFFAOYSA-N,2,1,0.506,59,910,436.834,4.521,5,0.4,0.71,1.0,0.8478428483311631,0.7393513124528819,0.8007418956891235,0.7751353574121034,0.7907678534713178
EOS-2-17464,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)c1,HQMDOKOCPQWLOG-UHFFFAOYSA-N,2,1,0.578,84,672,436.834,4.255,5,0.393,0.79,1.0,0.8878246864505517,0.8744859845109999,0.7835737783565211,0.7982917551915565,0.8360440511274072
EOS-2-17465,Fc1cc(-c2ccon2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,JECVIZVIYXEVKU-UHFFFAOYSA-N,2,1,0.506,11,0,436.834,4.255,5,0.367,0.74,1.0,0.8408265369063121,0.807535467068741,0.6870074018230417,0.7261154136111302,0.7653712048523063
EOS-2-17466,Fc1ccc(CCOc2cncc3nnc(-c4cnccc4-c4ncco4)n23)cc1Cl,ICJDEMWBKFNQFH-UHFFFAOYSA-N,2,1,0.658,84,360,436.834,4.255,5,0.393,0.63,1.0,0.8211140429031595,0.7021023233500103,0.762713316427935,0.77514392433692,0.7652684017545062
EOS-2-17467,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)ncn2)cc1,MKHBXCFXUJUAPT-UHFFFAOYSA-N,2,1,0.456,44,130,436.834,4.255,5,0.393,0.72,1.0,0.8589969844424645,0.7393598793776985,0.7004146391611267,0.7499314646014666,0.7621757418956892
EOS-2-17468,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1-c1ccoc1,UXHIHDRFKNSXMY-UHFFFAOYSA-N,2,1,0.518,20,279,436.834,4.255,5,0.393,0.74,1.0,0.8896837091357687,0.8478428483311631,0.695094578849976,0.7525443766705503,0.7962913782468645
EOS-2-17469,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)ccc1Cl,VTFAFIJLZBUKNR-UHFFFAOYSA-N,2,1,0.663,84,360,436.834,4.255,5,0.393,0.74,1.0,0.8432167089301624,0.7346480707285313,0.7858011788088548,0.7844390377630046,0.7870262490576383
EOS-2-17470,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cnco1,MPJUZCQOXMCBNB-UHFFFAOYSA-N,2,1,0.612,35,352,436.834,4.255,5,0.367,0.72,1.0,0.9540213145089439,0.904941402234254,0.8165821396751423,0.819554862586526,0.8737749297512165
EOS-2-17471,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cncc(-c4ncco4)c3)n12,XSXAJRHQXVXJNJ-UHFFFAOYSA-N,2,1,0.56,84,749,436.834,4.255,5,0.393,0.72,1.0,0.8288328421629771,0.692130422863409,0.7341169213898979,0.7602631759303681,0.7538358405866631
EOS-2-17472,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cc2)no1,XFFUUGXOVBZJFS-UHFFFAOYSA-N,2,1,0.64,43,96,436.834,4.521,5,0.4,0.79,1.0,0.9179459941059557,0.9071259680625042,0.7651377561510521,0.7628503872250018,0.8382650263861284
EOS-2-17473,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)c1,NPIVVBLGGVHADX-UHFFFAOYSA-N,2,1,0.566,84,752,436.834,4.255,5,0.393,0.67,1.0,0.7390172023850319,0.702110890274827,0.7514906449181002,0.7679134397916524,0.7401330443424029
EOS-2-17474,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1-c1cn[nH]c1,PCKOWIVMOYMYPC-UHFFFAOYSA-N,2,1,0.489,13,209,436.834,4.775,5,0.426,0.69,1.0,0.8211226098279761,0.8036460832019738,0.9157357275032554,0.892870605167569,0.8583437564251934
EOS-2-17475,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)cn4)n23)ccc1Cl,KFVNDXUFGXFFGV-UHFFFAOYSA-N,2,1,0.625,84,308,436.834,4.255,5,0.393,0.81,1.0,0.8701682544033994,0.734656637653348,0.7389658008361318,0.7423497361387157,0.7715351072578988
EOS-2-17476,Fc1ccc(-c2ncoc2-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,BIERZNPFPCJEMQ-UHFFFAOYSA-N,2,1,0.612,11,201,436.834,4.255,5,0.367,0.75,1.0,0.7858868480570215,0.7483465835103831,0.6485333424713865,0.712965184017545,0.723932989514084
EOS-2-17477,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)o1,XDKVRALMAIDFLN-UHFFFAOYSA-N,2,1,0.736,43,96,436.834,4.521,5,0.4,0.82,1.0,0.9531903228017271,0.9245253923651566,0.7858097457336715,0.7751524912617367,0.8596694880405729
EOS-2-17478,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3)n12,PQJXRTWAGLNJIF-UHFFFAOYSA-N,2,1,0.617,84,73,436.834,4.255,5,0.393,0.74,1.0,0.8724127887053663,0.8632461791515318,0.7858183126584881,0.7913354122404221,0.8282031731889521
EOS-2-17479,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnco5)cn4)n23)c1,OLHIROLKFLRFQQ-UHFFFAOYSA-N,2,1,0.529,84,529,436.834,4.255,5,0.393,0.76,1.0,0.7858954149818381,0.769935234048386,0.7814234802275375,0.7983003221163731,0.7838886128435336
EOS-2-17480,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cncc(-c4ncco4)c3)n12,UJRHBJMXVJZQDO-UHFFFAOYSA-N,2,1,0.57,84,73,436.834,4.255,5,0.393,0.69,1.0,0.7859039819066548,0.6872301418682749,0.7698152971009526,0.777491261736687,0.7551101706531423
EOS-2-17482,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)cc(Cl)n1,XNPYILCXLVPKKO-UHFFFAOYSA-N,2,1,0.603,11,201,436.834,4.255,5,0.367,0.72,1.0,0.9548865739154273,0.8979165238845864,0.7261668151600301,0.7101637996024946,0.8222834281406346
EOS-2-17483,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnc(-c4ccc(F)cc4)o3)n12,XOAHPGZBTMEYBU-UHFFFAOYSA-N,2,1,0.518,34,372,436.834,4.521,5,0.4,0.8,1.0,0.8081522856555411,0.8979250908094031,0.6363426084572682,0.7072510451648276,0.76241775752176
EOS-2-17484,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cncc(-c4ncco4)c3)n12,DFTYLJPOKBTDAK-UHFFFAOYSA-N,2,1,0.54,84,672,436.834,4.255,5,0.393,0.74,1.0,0.8156140771708588,0.729859159756014,0.7627218833527517,0.7800356384072373,0.7720576896717155
EOS-2-17485,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4cnno4)cc3)n12,AMBBEPMGWRYWGE-UHFFFAOYSA-N,2,1,0.667,91,322,436.834,4.255,5,0.393,0.68,1.0,0.8546792543348639,0.8824360907408677,0.8362774998286615,0.8470889589472963,0.8551204509629224
EOS-2-17486,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,UADJHSWAHVREHV-UHFFFAOYSA-N,2,1,0.6,91,273,436.834,4.255,5,0.393,0.74,1.0,0.9510485915975602,0.9605921458433281,0.7986515660338565,0.8089318758138578,0.8798060448221506
EOS-2-17487,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)ccc1Cl,JKDWKKITWXIFCR-UHFFFAOYSA-N,2,1,0.767,91,781,436.834,4.255,5,0.393,0.77,1.0,0.9732454937975464,0.9559060379686107,0.8181498869165924,0.815656911794942,0.8907395826194229
EOS-2-17488,Cc1cc(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)nc2)on1,GLDLYYOBJKAVBW-UHFFFAOYSA-N,2,1,0.577,4,71,436.834,4.521,5,0.4,0.73,1.0,0.6662497429922555,0.752758549790967,0.7288482626276471,0.7287111918305805,0.7191419368103624
EOS-2-17489,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)o1,CNEFEPANYWDJAO-UHFFFAOYSA-N,2,1,0.662,59,294,436.834,4.521,5,0.4,0.78,1.0,0.9109468165307382,0.8036546501267905,0.8128812281543417,0.7866921389897882,0.8285437084504146
EOS-2-17490,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)cc1-c1cncnc1,CMMWZKLEYOBORG-UHFFFAOYSA-N,2,1,0.512,37,494,436.834,4.255,5,0.393,0.72,1.0,0.9271811390583237,0.907134534987321,0.8181584538414091,0.8254574737852101,0.869482900418066
EOS-2-17491,Cc1onc(-c2ccccn2)c1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,BSAVHYCQKZSOTA-UHFFFAOYSA-N,2,1,0.561,59,89,436.834,4.521,5,0.4,0.76,1.0,0.8637344938660818,0.8658333904461655,0.5877081762730451,0.6442755808375026,0.7403879103556987
EOS-2-17492,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cn2)o1,KFSWECKAZDXLDI-UHFFFAOYSA-N,2,1,0.5,59,109,436.834,4.521,5,0.4,0.71,1.0,0.852434720032897,0.8478514152559797,0.7876345007196217,0.7726509492152697,0.8151428963059419
EOS-2-17493,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)no1,GDRLTFIXDGVOSA-UHFFFAOYSA-N,2,1,0.54,11,384,436.834,4.255,5,0.367,0.76,1.0,0.5906808991844288,0.5200980056199027,0.6951031457747927,0.7576416969364677,0.6408809368788979
EOS-2-17494,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cocn4)nc3)n12,KGHPSQMRBLONJT-UHFFFAOYSA-N,2,1,0.588,84,749,436.834,4.255,5,0.393,0.7,1.0,0.872421355630183,0.8570437255842642,0.7364642587896648,0.7628589541498184,0.8071970735384826
EOS-2-17495,CCc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1cnco1,BNFLMMDLPDMLBO-UHFFFAOYSA-N,2,1,0.523,13,573,436.834,4.989,5,0.383,0.67,0.999,0.7025306695908436,0.6921389897882256,0.6870159687478583,0.7101723665273113,0.6979644986635597
EOS-2-17496,COc1ccc(-c2nnc3cncc(-c4noc(-c5ccc(Cl)c(C)c5)n4)n23)c(F)c1,FCXUJIWJYZBPJX-UHFFFAOYSA-N,2,1,0.373,96,46,436.834,4.618,5,0.406,0.75,1.0,0.568081351518059,0.6724693304091564,0.7313755054485642,0.7396511548214653,0.6778943355493112
EOS-2-17497,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5nnco5)c4)n23)c(Cl)c1,VVOONUPJIOKULV-UHFFFAOYSA-N,2,1,0.624,91,660,436.834,4.255,5,0.393,0.75,1.0,0.8858971283668015,0.8905918031663355,0.7835823452813379,0.8046912480296073,0.8411906312110204
EOS-2-17498,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)cc1Cl,POICQABGGSIBMX-UHFFFAOYSA-N,2,1,0.74,84,360,436.834,4.255,5,0.393,0.72,1.0,0.9271897059831403,0.8906003700911521,0.7858268795833048,0.7892022479610719,0.8482048009046672
EOS-2-17499,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5ncno5)c4)n23)ccc1Cl,RYHHKZJVGVNDHD-UHFFFAOYSA-N,2,1,0.74,91,781,436.834,4.255,5,0.393,0.75,1.0,0.9014889315331369,0.7828113220478377,0.804622712631074,0.8089404427386745,0.8244658522376808
EOS-2-17500,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnoc5)nc4)n23)ccc1Cl,NYHBOILINXHUCF-UHFFFAOYSA-N,2,1,0.731,84,360,436.834,4.255,5,0.393,0.71,1.0,0.8878332533753683,0.8305719279007607,0.8274535672674936,0.8273507641696937,0.8433023781783291
EOS-2-17501,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cccc(-c5ncno5)c4)n23)c1,UADTZGQQOYCKEX-UHFFFAOYSA-N,2,1,0.61,91,752,436.834,4.255,5,0.393,0.66,1.0,0.7773113563155369,0.7656260708656021,0.7743472003289699,0.7937512850387225,0.7777589781372078
EOS-2-17502,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5cocn5)c4)n23)c1,KIKNBJPGSSAZAK-UHFFFAOYSA-N,2,1,0.625,24,583,436.834,4.255,5,0.393,0.61,1.0,0.8454184086080461,0.7699438009732027,0.7721712014255363,0.7913439791652388,0.7947193475430059
EOS-2-17503,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)o1,FXOBPZWBEIJOCU-UHFFFAOYSA-N,2,1,0.482,59,332,436.834,4.521,5,0.4,0.8,1.0,0.8408351038311288,0.8340500993763279,0.7651463230758687,0.754951682544034,0.7987458022068399
EOS-2-17504,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)c1,NRPQKEINDLTBIN-UHFFFAOYSA-N,2,1,0.566,84,672,436.834,4.255,5,0.393,0.72,1.0,0.8614642587896648,0.8744945514358166,0.7651548900006854,0.7844476046878213,0.8213903262284971
EOS-2-17505,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)o1,PYAGMAIWWPINFY-UHFFFAOYSA-N,2,1,0.689,43,372,436.834,4.521,5,0.4,0.83,1.0,0.9671030087039956,0.9622198615584949,0.7489634020971832,0.770346446439586,0.8621581796998149
EOS-2-17506,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)o1,BUDAIINVHUCRSU-UHFFFAOYSA-N,2,1,0.649,59,294,436.834,4.521,5,0.4,0.78,1.0,0.9062864094304708,0.8852289082311013,0.8064560345418409,0.7774998286615037,0.8438677952162291
EOS-2-17507,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)ccc1-c1cccnc1,BANZHFHRHCAQQH-UHFFFAOYSA-N,2,1,0.467,58,814,436.834,4.255,5,0.367,0.67,1.0,0.8678980193269824,0.7253015557535467,0.6788773901720239,0.7072596120896443,0.7448341443355494
EOS-2-17508,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)ccc1Cl,BFGAZVOZCVCCJX-UHFFFAOYSA-N,2,1,0.74,84,360,436.834,4.255,5,0.393,0.76,1.0,0.927198272907957,0.8878846549242684,0.7858354465081214,0.786700705914605,0.846904770063738
EOS-2-17509,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cnco5)ccn4)n23)ccc1Cl,SLYMKLGAIJIJJT-UHFFFAOYSA-N,2,1,0.612,84,308,436.834,4.255,5,0.393,0.71,1.0,0.7743300664793366,0.6051076005756973,0.8026351860736071,0.804699814954424,0.7466931670207662
EOS-2-17510,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccnc(-c4cnco4)c3)n12,HRVNEICKVGMYOR-UHFFFAOYSA-N,2,1,0.638,84,672,436.834,4.255,5,0.393,0.67,1.0,0.8408436707559455,0.7483551504351997,0.7918408608046056,0.80039065177164,0.7953575834418477
EOS-2-17511,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cc(-c4cnco4)ccn3)n12,MAHVZMQGFGQAMQ-UHFFFAOYSA-N,2,1,0.542,84,749,436.834,4.255,5,0.393,0.73,1.0,0.7270834761154136,0.5864574052498115,0.7536837776711671,0.7820745665136043,0.7123248063874991
EOS-2-17512,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccco1,OUXAWYFPWNKAHQ-UHFFFAOYSA-N,2,1,0.5,13,209,436.83,5.645,5,0.354,0.74,1.0,0.9165667192104722,0.8075440339935577,0.9373929134397917,0.9166695223082723,0.8945432972380235
EOS-2-17513,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)ccc1-c1nnco1,WPYLLTQWCXTEFF-UHFFFAOYSA-N,2,1,0.466,16,591,436.819,2.872,5,0.366,0.66,1.0,0.8211311767527928,0.619585703515866,0.36002501542046467,0.264906449181002,0.5164120862175313
EOS-2-17514,COc1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1ncco1,IDMILHMGAJEXJL-UHFFFAOYSA-N,2,1,0.409,49,501,436.819,2.872,5,0.392,0.6,1.0,0.47573846891919674,0.4173891439928723,0.14526934411623604,0.11232095127133164,0.2876794770749092
EOS-2-17515,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nnco1,LIUMIVZRRSAUFE-UHFFFAOYSA-N,2,1,0.463,72,224,436.819,2.872,5,0.392,0.69,1.0,0.6478137207867863,0.5864659721746281,0.29735796038653967,0.24399458570351587,0.4439080597628675
EOS-2-17516,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncco1,WTVYXXVIBLBHMR-UHFFFAOYSA-N,2,1,0.424,49,501,436.819,2.872,5,0.392,0.58,0.999,0.4904393119045987,0.40796552669453773,0.13312144472620108,0.1097765746007813,0.2853257144815297
EOS-2-17517,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nnco1,SERKBHQRUWLWPS-UHFFFAOYSA-N,2,1,0.447,16,248,436.819,2.872,5,0.392,0.7,1.0,0.6190802549516825,0.547734905078473,0.30076759646357343,0.2466760331711329,0.42856469741621545
EOS-2-17518,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)o1,OQWLXSPXVMYMMN-UHFFFAOYSA-N,2,1,0.483,72,208,436.819,2.872,5,0.392,0.79,1.0,0.6417740387910356,0.642793502844219,0.17999965732300732,0.15372489891028715,0.4045730244671372
EOS-2-17519,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncon1,CDAAAPFLEQOWCX-UHFFFAOYSA-N,2,1,0.495,4,224,436.819,2.872,5,0.392,0.65,1.0,0.687512850387225,0.5661794942087588,0.2755465698033034,0.23229216640394765,0.44038277020080874
EOS-2-17520,OCc1nnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)o1,BLTZBQWKJYXGBS-UHFFFAOYSA-N,2,1,0.457,75,241,436.819,2.356,5,0.394,0.64,1.0,0.4470392707833596,0.4617829483928449,0.21739428414776232,0.24098759509286546,0.3418010246042081
EOS-2-17521,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)o1,QKYJXQFAJNZCFL-UHFFFAOYSA-N,2,1,0.444,55,565,436.819,2.872,5,0.366,0.74,1.0,0.5817541635254609,0.5707199643615928,0.21740285107257898,0.18614214241655816,0.3890047803440477
EOS-2-17522,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncno1,HOBFCDBDMLUARN-UHFFFAOYSA-N,2,1,0.458,4,224,436.819,2.872,5,0.392,0.69,1.0,0.5992992255499966,0.5336937153039545,0.3007761633883901,0.24668460009594956,0.42011342608457264
EOS-2-17523,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccon1,QQNACQJYIKHDIF-UHFFFAOYSA-N,2,1,0.391,51,924,436.819,2.872,5,0.392,0.52,0.995,0.5029812898362004,0.42186107874717294,0.13941813446645193,0.12153896237406621,0.29644986635597287
EOS-2-17524,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ncon1,OIFPWRRGVSLGHQ-UHFFFAOYSA-N,2,1,0.467,7,94,436.819,2.872,5,0.392,0.69,1.0,0.6390326228497019,0.5661880611335754,0.2828969912960044,0.2323007333287643,0.4301046021520115
EOS-2-17525,OCc1noc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c2)n1,ZKNGGFWGVZPBCO-UHFFFAOYSA-N,2,1,0.457,4,506,436.819,2.356,5,0.394,0.69,1.0,0.4494808443561099,0.4571739428414776,0.19666232609142623,0.20607737646494415,0.3273486224384895
EOS-2-17526,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)ccc1-c1ncno1,GLDZZKPPCPJFGB-UHFFFAOYSA-N,2,1,0.461,16,248,436.819,2.872,5,0.366,0.65,1.0,0.7859125488314714,0.5707285312864094,0.3639058323624152,0.26491501610581863,0.4963654821465287
EOS-2-17527,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ncco1,XPSYXTRYCVXSQR-UHFFFAOYSA-N,2,1,0.404,49,94,436.819,2.872,5,0.392,0.61,1.0,0.4830717565622644,0.417397710917689,0.13623123843465149,0.11232951819614831,0.2872575560276883
EOS-2-17528,COc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1nnco1,QJMCMJKHSBCXHJ-UHFFFAOYSA-N,2,1,0.426,49,122,436.819,2.872,5,0.366,0.6,1.0,0.48559043245836475,0.41740627784250567,0.16713213624837228,0.14861044479473648,0.3046848228359948
EOS-2-17529,COc1cc(-c2nnc3cncc(OCc4cnc(-c5conn5)nc4)n23)ccc1Cl,AMOIKVMECQABGT-UHFFFAOYSA-N,2,1,0.512,16,67,436.819,2.872,5,0.392,0.68,1.0,0.6905112740730588,0.7253101226783634,0.32652833938729353,0.30068192721540676,0.5107579158385306
EOS-2-17530,COc1nc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,VRZKQKOCNORUIA-UHFFFAOYSA-N,2,1,0.444,55,283,436.819,2.872,5,0.366,0.6,1.0,0.6755362894935234,0.6428020697690358,0.22448769789596326,0.18907203070385856,0.4329745219655952
EOS-2-17531,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cnno1,BXYUXTSVOWYWFP-UHFFFAOYSA-N,2,1,0.478,72,224,436.819,2.872,5,0.392,0.56,1.0,0.5105030498252348,0.5428517579329724,0.3600335823452813,0.30383455554794053,0.42930573641285724
EOS-2-17532,COc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4conn4)cn3)n12,AZZHKEXWHAJUPE-UHFFFAOYSA-N,2,1,0.446,7,212,436.819,2.872,5,0.392,0.53,1.0,0.45189671715441027,0.5911606469741622,0.3117675279281749,0.2944709067233226,0.41232394969501746
EOS-2-17533,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1ncon1,MIQIIVXQVHBSAL-UHFFFAOYSA-N,2,1,0.429,46,896,436.819,2.872,5,0.366,0.58,0.992,0.6190888218764992,0.45718250976629426,0.2108577205126448,0.17796072921664038,0.3662724453430196
EOS-2-17534,OCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2)o1,OYLWTMAJTYGANN-UHFFFAOYSA-N,2,1,0.406,46,565,436.819,2.356,5,0.394,0.71,0.97,0.4585617846617778,0.48798917140703174,0.21741141799739566,0.23522205469124802,0.3497961071893633
EOS-2-17535,COc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1nnco1,BKJQQLGAAXYFGV-UHFFFAOYSA-N,2,1,0.419,72,224,436.819,2.872,5,0.366,0.75,1.0,0.7057346994722774,0.5758772531012268,0.2568449729285176,0.21206565691179494,0.4376306456034542
EOS-2-17536,FC(F)c1ncc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)cn1,VLKKITLKMDKUMN-UHFFFAOYSA-N,2,1,0.321,82,478,436.813,4.296,5,0.388,0.81,1.0,0.347277431293263,0.4396374477417586,0.7261753820848468,0.7209495579466795,0.558509954766637
EOS-2-17537,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)c(F)c1,VICXYNOKNJANKD-UHFFFAOYSA-N,2,1,0.43,13,145,436.809,4.972,5,0.395,0.76,1.0,0.6693424028510726,0.7950877253101227,0.9316959084367076,0.9563943526831609,0.838130097320266
EOS-2-17538,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5cccc(F)c5Cl)n34)cn2)nc1,SYTBXOKCBLMISM-UHFFFAOYSA-N,2,1,0.464,13,573,436.809,4.972,5,0.395,0.7,1.0,0.8311801795627441,0.8773644712494003,0.919333835926256,0.9329381125351244,0.8902041498183813
EOS-2-17539,Fc1cc(Cl)cc(Oc2cncc3nnc(-c4ccc(-c5cncnc5F)cc4)n23)c1,IJGQMTRETNHRLG-UHFFFAOYSA-N,2,1,0.519,13,913,436.809,4.972,5,0.37,0.79,1.0,0.8998526488931533,0.9453430196696594,0.947184908505243,0.9550750462613941,0.9368639058323625
EOS-2-17540,Fc1cc(-c2cncnc2)ccc1Oc1cncc2nnc(-c3c(F)cccc3Cl)n12,RQSRKMZPHOEIKQ-UHFFFAOYSA-N,2,1,0.458,13,145,436.809,4.972,5,0.395,0.78,1.0,0.7658145432115687,0.8632547460763484,0.9454886573915428,0.9570283051195942,0.8828965629497635
EOS-2-17541,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cncnc4)cc3F)n12,SXEFMUZIAGNGJB-UHFFFAOYSA-N,2,1,0.464,13,145,436.809,4.972,5,0.395,0.78,1.0,0.8408522376807621,0.9092591323418545,0.9548094715920773,0.9624854362278117,0.9168515694606264
EOS-2-17542,Fc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c(F)c1,JZVCDUBRJFCSHB-UHFFFAOYSA-N,2,1,0.525,13,145,436.809,4.972,5,0.395,0.86,1.0,0.9422931944349257,0.9730141868274964,0.9029110410527037,0.9250651086286067,0.9358208827359331
EOS-2-17543,Oc1c(Cl)cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c(F)c1F,MIANIZHKUZMZCU-UHFFFAOYSA-N,2,1,0.3,96,558,436.809,4.553,5,0.417,0.7,1.0,0.4632735933109451,0.6285724076485505,0.9540898499074772,0.9576879583304777,0.7509059522993625
EOS-2-17544,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)cc4)n23)c(F)c1,LGQPQJJFYPFCKK-UHFFFAOYSA-N,2,1,0.532,13,913,436.809,4.972,5,0.37,0.76,1.0,0.9046843944897539,0.945351586594476,0.9435696662326092,0.9455571927900761,0.9347907100267288
EOS-2-17545,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)cn5)nc4)n23)cc1F,KCKNNGKGUXWYCD-UHFFFAOYSA-N,2,1,0.512,13,573,436.809,4.972,5,0.395,0.76,1.0,0.9247652662600233,0.9622284284833116,0.9285347131793571,0.9390206291549585,0.9386372592694125
EOS-2-17546,Oc1cc(-c2cnncc2-c2cncc3nnc(-c4ccc(F)cc4F)n23)ccc1Cl,ZTPXGIIFQIYKJL-UHFFFAOYSA-N,2,1,0.378,45,46,436.809,4.553,5,0.446,0.67,0.998,0.4904478788294154,0.7439003495305325,0.954818038516894,0.9703241724350627,0.7898726098279761
EOS-2-17547,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccccn4)c(F)n3)n12,BGZABIXERLNKPT-UHFFFAOYSA-N,2,1,0.396,13,145,436.809,4.972,5,0.37,0.69,1.0,0.7512079363991502,0.8230501679117264,0.8855373175245014,0.9088650538002878,0.8421651189089164
EOS-2-17548,Fc1ccc(Cl)cc1-c1nnc2cncc(Oc3ncc(-c4ccccn4)cc3F)n12,XCAKNFBZKIBGLV-UHFFFAOYSA-N,2,1,0.398,13,417,436.809,4.972,5,0.395,0.86,1.0,0.7539664861901172,0.8442190391337125,0.8911315194297855,0.9088736207251045,0.8495476663696799
EOS-2-17549,Fc1cccc(Oc2cncc3nnc(-c4cnnc(-c5ccc(F)c(Cl)c5)c4)n23)c1,PVJAGERDKLEIPG-UHFFFAOYSA-N,2,1,0.561,13,15,436.809,4.972,5,0.395,0.64,1.0,0.714772805153862,0.857052292509081,0.9402028647796586,0.9601123980535947,0.8680350901240491
EOS-2-17550,Fc1ccc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nc1,CZEMVMAMJMAXRB-UHFFFAOYSA-N,2,1,0.519,13,145,436.809,4.972,5,0.395,0.76,1.0,0.9404341717497087,0.9736909738880132,0.9176204509629223,0.9347457336714413,0.9416228325680214
EOS-2-17551,Fc1ccc(F)c(Oc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)c1,BEMCHUCZCKRFPE-UHFFFAOYSA-N,2,1,0.494,13,284,436.809,4.972,5,0.37,0.78,1.0,0.7886539647728051,0.9111695565759715,0.9374014803646084,0.9463710506476595,0.8958990130902611
EOS-2-17552,Fc1cc(F)cc(Oc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)c1,MHPZCHWBCJOVRT-UHFFFAOYSA-N,2,1,0.5,13,284,436.809,4.972,5,0.37,0.8,1.0,0.7452453567267494,0.8957233911315194,0.9340432458364746,0.9455657597148928,0.8801444383524091
EOS-2-17553,Fc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)ccn1,UQMMGXYABLILFM-UHFFFAOYSA-N,2,1,0.482,13,110,436.809,4.972,5,0.37,0.77,1.0,0.7630131587965184,0.8540538688232472,0.9388492906586252,0.9463796175724762,0.8755739839627168
EOS-2-17554,Fc1ccc(-c2cnc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)nc2)cc1,YUSUEQVKOCUKOU-UHFFFAOYSA-N,2,1,0.551,13,236,436.809,4.972,5,0.395,0.82,1.0,0.8156226440956754,0.8152542663285587,0.9118463436364882,0.9424302652319924,0.8712883798231786
EOS-2-17555,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)cn1,JOEQZJHQWPSLSK-UHFFFAOYSA-N,2,1,0.477,13,284,436.809,4.972,5,0.37,0.8,1.0,0.9093705023644713,0.9677198272907956,0.9435782331574258,0.9478188609416763,0.9421218559385923
EOS-2-17556,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)nn5)cc4F)n23)cc1,DPFYYWUHDOVTRY-UHFFFAOYSA-N,2,1,0.512,57,145,436.809,4.972,5,0.395,0.87,1.0,0.8913799602494689,0.9586988554588445,0.9293742718113905,0.9439209101500925,0.930843499417449
EOS-2-17557,Fc1ccc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,GSTMYOMLEHVHHW-UHFFFAOYSA-N,2,1,0.5,13,284,436.809,4.972,5,0.37,0.74,1.0,0.907802755123021,0.9713179357137962,0.9354310876567747,0.9455743266397094,0.9400315262833254
EOS-2-17558,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1F,UKELBUWWJIAWOA-UHFFFAOYSA-N,2,1,0.645,57,15,436.809,4.972,5,0.395,0.78,1.0,0.9394832430950586,0.9442036186690426,0.934754300596258,0.9455828935645261,0.9410060139812213
EOS-2-17559,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5cncc(Cl)c5)c4)n23)cc1F,FAHIUCHRAYCOGE-UHFFFAOYSA-N,2,1,0.6,13,573,436.809,4.972,5,0.395,0.72,1.0,0.9109553834555548,0.8690031526283325,0.9423788636830923,0.9530446850798437,0.9188455212117058
EOS-2-17560,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)nc1,KUUFAZRCGMAQRA-UHFFFAOYSA-N,2,1,0.459,13,417,436.809,4.972,5,0.395,0.72,1.0,0.8335617846617778,0.952933315057227,0.9184600095949558,0.9314131999177575,0.9090920773079295
EOS-2-17561,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccccc4F)nn3)n12,BELJWSWYWCENAT-UHFFFAOYSA-N,2,1,0.419,34,616,436.809,4.972,5,0.395,0.83,1.0,0.7087159893084778,0.8036632170516071,0.8994071688026866,0.9365019532588582,0.8370720821054074
EOS-2-17562,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cc1F,YJJLIJRMUVFFQK-UHFFFAOYSA-N,2,1,0.6,57,15,436.809,4.972,5,0.395,0.82,1.0,0.8784096360770338,0.887893221849085,0.9301452950448907,0.9431413199917758,0.9098973682406963
EOS-2-17563,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)cn1,PBNJSHZECLQBJU-UHFFFAOYSA-N,2,1,0.471,13,284,436.809,4.972,5,0.37,0.74,1.0,0.7715458159139196,0.9024741278870536,0.9347628675210746,0.942438832156809,0.8878054108697142
EOS-2-17564,Fc1c(Cl)ccc(Oc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c1F,FIRXOHKFJVZTHF-UHFFFAOYSA-N,2,1,0.488,13,110,436.809,4.972,5,0.37,0.72,1.0,0.7970581180179562,0.8373654992803783,0.947750325543143,0.9463881844972929,0.8821405318346927
EOS-2-17565,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)nn1,UXZNLEIEWWBFOP-UHFFFAOYSA-N,2,1,0.477,13,145,436.809,4.972,5,0.395,0.77,1.0,0.742212665341649,0.8690117195531492,0.9223665273113563,0.9365105201836749,0.8675253580974573
EOS-2-17566,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)c(Cl)c1,WVLJFLCPHOJIMM-UHFFFAOYSA-N,2,1,0.414,13,145,436.809,4.972,5,0.37,0.74,1.0,0.7116030429716949,0.8112792132136248,0.9332208210540744,0.9447262010828593,0.8502073195805634
EOS-2-17567,Fc1ccc(-c2cnnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cc1,LYBBYDODSBKZDS-UHFFFAOYSA-N,2,1,0.43,13,145,436.809,4.972,5,0.395,0.75,1.0,0.6693509697758893,0.7913611130148722,0.9317044753615242,0.9564029196079775,0.8372048694400658
EOS-2-17568,Fc1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)cn1,WREYNQOEURWLPC-UHFFFAOYSA-N,2,1,0.59,13,995,436.809,4.972,5,0.37,0.76,1.0,0.8361489959564115,0.8800202179425674,0.9540984168322939,0.9611746967308615,0.9078605818655335
EOS-2-17569,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)nc1,QNOWSUKPJJFQST-UHFFFAOYSA-N,2,1,0.409,13,110,436.809,4.972,5,0.395,0.7,1.0,0.7057432663970941,0.7161777808237955,0.9146477280515386,0.9337948050167911,0.8175908950723049
EOS-2-17570,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)cc1Cl,YKMXBEGZRQPXDM-UHFFFAOYSA-N,2,1,0.623,13,573,436.809,4.972,5,0.395,0.77,1.0,0.9468250976629429,0.947544719347543,0.9641388527174286,0.9712236995408128,0.9574330923171819
EOS-2-17571,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)cc1F,UWSPVCWPLCYAGR-UHFFFAOYSA-N,2,1,0.59,13,995,436.809,4.972,5,0.37,0.74,1.0,0.8311887464875608,0.8603077239394147,0.9533616612980604,0.9611832636556782,0.9015103488451786
EOS-2-17572,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(F)c(-c4cncnc4)c3)n12,NFRKYPBAMNCMOG-UHFFFAOYSA-N,2,1,0.494,13,145,436.809,4.972,5,0.395,0.75,1.0,0.8724299225549996,0.9263244465766568,0.9596497841134947,0.9667431978616956,0.9312868377767117
EOS-2-17573,Fc1cccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)c1F,MDQFNMGLCOVBDJ-UHFFFAOYSA-N,2,1,0.4,44,236,436.809,4.972,5,0.395,0.78,1.0,0.8105938592282914,0.8478599821807964,0.9285432801041738,0.947159207730793,0.8835390823110137
EOS-2-17574,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)c(Cl)c4)n23)cc1F,VRQOMCWKWUMQJD-UHFFFAOYSA-N,2,1,0.64,13,573,436.809,4.972,5,0.395,0.79,1.0,0.9354996230553081,0.9263330135014735,0.9633164279350285,0.9697930230964293,0.9487355218970599
EOS-2-17575,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)c(F)c1,SKGDEANWKGNUEW-UHFFFAOYSA-N,2,1,0.425,13,145,436.809,4.972,5,0.395,0.78,1.0,0.7859211157562881,0.8442276060585292,0.9250222740045233,0.9471677746556096,0.8755846926187376
EOS-2-17576,Fc1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)c2)cn1,OSPLHAICUJDYAM-UHFFFAOYSA-N,2,1,0.59,13,995,436.809,4.972,5,0.37,0.78,1.0,0.8263484339661435,0.8603162908642313,0.9541069837571106,0.9606692481666781,0.9003602391885409
EOS-2-17577,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)cc1F,BWBNXJANRGKNPF-UHFFFAOYSA-N,2,1,0.518,44,573,436.809,4.972,5,0.395,0.79,1.0,0.8311973134123775,0.847868549105613,0.9332293879788911,0.9524107326434104,0.891176495785073
EOS-2-17578,Fc1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)nc1,PZTYXEYJIVFBIE-UHFFFAOYSA-N,2,1,0.57,13,995,436.809,4.972,5,0.395,0.7,1.0,0.8803714618600507,0.8442361729833459,0.9402114317044754,0.952419299568227,0.9043095915290247
EOS-2-17579,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4cnccc4F)ccn3)n12,YDRFDQSMOFGJEG-UHFFFAOYSA-N,2,1,0.409,13,110,436.809,4.972,5,0.395,0.77,1.0,0.6905198409978754,0.7439089164553492,0.9380611335754917,0.9524278664930437,0.83122943938044
EOS-2-17580,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)cn1,PNDRJQUUSFPURU-UHFFFAOYSA-N,2,1,0.518,13,573,436.809,4.972,5,0.37,0.76,1.0,0.8132153382221917,0.8189894455486258,0.9402199986292921,0.9512113631690768,0.8809090363922967
EOS-2-17581,Fc1cc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)ccc1Cl,XNKGXQJEDLJXQQ-UHFFFAOYSA-N,2,1,0.64,13,573,436.809,4.972,5,0.395,0.81,1.0,0.9486327187992598,0.9281749023370571,0.9633249948598451,0.9692790076074292,0.9523529059008978
EOS-2-17582,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)cc1F,GQGYYDHHZPSOJO-UHFFFAOYSA-N,2,1,0.524,13,236,436.809,4.972,5,0.395,0.76,1.0,0.7147813720786786,0.8036717839764238,0.9388578575834419,0.9611918305804948,0.8546257110547598
EOS-2-17583,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cccnc4F)cn3)n12,BZBYTNMKDVOOOU-UHFFFAOYSA-N,2,1,0.396,13,145,436.809,4.972,5,0.37,0.81,1.0,0.7539750531149338,0.8268624494551435,0.9259218011102734,0.9373415118908917,0.8610252038928106
EOS-2-17584,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)c2)cn1,IONJGPXFWOVMJB-UHFFFAOYSA-N,2,1,0.518,13,573,436.809,4.972,5,0.37,0.8,1.0,0.802763689945857,0.7828198889726544,0.9402285655541087,0.95056027688301,0.8690931053389076
EOS-2-17585,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2)cn1,GODTVOAIJRJTGN-UHFFFAOYSA-N,2,1,0.414,13,145,436.809,4.972,5,0.37,0.75,1.0,0.7241621547529299,0.837374066205195,0.9332379549037078,0.9439294770749092,0.8596759132341855
EOS-2-17586,Fc1ccncc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)ccc1F,UGNSUNHRNXYICP-UHFFFAOYSA-N,2,1,0.453,13,284,436.809,4.972,5,0.37,0.78,1.0,0.8932389829346857,0.9358423000479748,0.9520423548762936,0.9594698786923446,0.9351483791378247
EOS-2-17587,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ncn2)cn1,MQMCNZFLZIZDBN-UHFFFAOYSA-N,2,1,0.343,7,296,436.798,2.2,5,0.378,0.57,0.658,0.5517270920430403,0.5337022822287711,0.18328935645260777,0.2295079158385306,0.3745566616407374
EOS-2-17588,Fc1cnc(COc2cncc3nnc(-c4cnc(-c5ccnnc5)cn4)n23)nc1Cl,BFEJUCJBYQUQLJ-UHFFFAOYSA-N,2,1,0.37,51,48,436.798,2.2,5,0.378,0.6,1.0,0.6051076005756973,0.5707370982112261,0.21741998492221232,0.2707148242067028,0.41599487697895965
EOS-2-17589,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1cncnn1,UYHZSBKYSHQBIP-UHFFFAOYSA-N,2,1,0.404,51,48,436.798,2.2,5,0.378,0.59,1.0,0.6963967514221096,0.8268710163799603,0.18981735316290865,0.27072339113151944,0.4959521280241245
EOS-2-17590,Fc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ncc1-c1cncnc1,OIZYBRJYJHYFLL-UHFFFAOYSA-N,2,1,0.352,51,435,436.798,2.2,5,0.378,0.67,0.999,0.6507521759989034,0.5616818586800082,0.17025906380645603,0.22622678363374682,0.40222997052977866
EOS-2-17594,Fc1cc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5F)o4)n23)cc(F)c1Cl,FIGILFFQYFPRHB-UHFFFAOYSA-N,2,1,0.36,45,102,463.206,5.232,5,0.341,0.59,0.986,0.39298197519018574,0.6675604824892056,0.9596583510383113,0.9814183400726475,0.7504047871975875
EOS-2-17595,Fc1cc(-c2nnc3cncc(-c4nnnn4-c4cc(F)c(Cl)c(F)c4)n23)ccc1Cl,AJFXVSDOJIYUGO-UHFFFAOYSA-N,2,1,0.356,45,102,463.21,4.158,5,0.374,0.71,1.0,0.1359913645397848,0.5020303611815503,0.9193424028510726,0.9703327393598794,0.6319242169830718
EOS-2-17596,Fc1cnc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1Cl,VDSPSYLVCHFQMO-UHFFFAOYSA-N,2,1,0.649,90,305,436.781,3.597,4,0.409,0.74,1.0,0.9771091768898637,0.981898087862381,0.8394472620108286,0.8434737166746624,0.910482060859434
EOS-2-17597,COc1ncc(-c2cncc3nnc(-c4cc(C)c(Cl)cc4F)n23)c(OC(F)F)n1,AJNDFEMIRKJPED-UHFFFAOYSA-N,2,1,0.333,68,861,436.781,3.959,4,0.468,0.7,1.0,0.5906894661092454,0.7298677266808307,0.8831214447262011,0.8395157974093619,0.7607986087314098
EOS-2-17598,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4cccc(Br)c4)n23)cc1,KOMHBJJGCZHCKD-UHFFFAOYSA-N,2,1,0.783,48,240,463.257,5.194,4,0.409,0.85,1.0,0.9918271537248989,0.9909276266191488,0.9939003495305325,0.9878178329106984,0.9911182406963197
EOS-2-17599,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)c(Cl)c5)cc4)n23)cc1,IWTCKTFUKNYTKJ-UHFFFAOYSA-N,2,1,0.5,83,558,463.284,5.735,5,0.192,0.74,1.0,0.25674216983071757,0.23463093687889794,0.8791635254609006,0.837528270851895,0.5520162257556027
EOS-2-17600,Cn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3ccc(Cl)c(C#N)c3)n12,UTDUIGUQLOISQR-UHFFFAOYSA-N,2,1,0.395,13,706,463.288,4.558,5,0.36,0.79,1.0,0.5790898499074772,0.7298762936056473,0.8294153930505106,0.847097525872113,0.746369765608937
EOS-2-17601,N#Cc1cc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)cc5)nn4)n23)ccc1Cl,DOMZRROEMRGIMH-UHFFFAOYSA-N,2,1,0.629,34,612,463.288,4.129,5,0.386,0.67,1.0,0.38174216983071757,0.6675690494140224,0.8026437529984237,0.8705280652456994,0.6806207593722158
EOS-2-17602,N#Cc1c(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc(Cl)c1Cl,JVSXMLYWLAAAEL-UHFFFAOYSA-N,2,1,0.512,90,708,436.711,5.264,4,0.436,0.75,1.0,0.79990233705709,0.8979336577342197,0.9514341032143102,0.9740936193543965,0.9058409293400042
EOS-2-17603,Brc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1,XAUIKGWUUFJOAI-UHFFFAOYSA-N,2,1,0.65,84,73,463.299,3.355,5,0.412,0.68,1.0,0.7914039476389555,0.8152628332533753,0.36391439928723185,0.36441984785141524,0.5837502570077445
EOS-2-17604,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)cn2)cn1,IZCVLVCKEZCBQF-UHFFFAOYSA-N,2,1,0.518,92,860,463.299,3.323,5,0.395,0.72,1.0,0.36098451099993145,0.4660749777259955,0.397616681516003,0.3320797066684943,0.38918896922760604
EOS-2-17605,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)cn2)cn1,HGVDNTXTVPIJEM-UHFFFAOYSA-N,2,1,0.562,92,399,463.299,3.323,5,0.395,0.67,1.0,0.5105116167500514,0.5911692138989788,0.3976252484408197,0.3576262764717977,0.4642330888904119
EOS-2-17606,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4Br)n23)cc1,OXEKZEILUSZWIG-UHFFFAOYSA-N,2,1,0.618,43,402,463.299,3.323,5,0.395,0.78,1.0,0.6815331368651909,0.667577616338839,0.3302378178329107,0.3706394352683161,0.5124970015763142
EOS-2-17607,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1,WHJAYRJEWNVOPT-UHFFFAOYSA-N,2,1,0.59,36,734,463.299,3.323,5,0.395,0.72,1.0,0.6022633815365637,0.5246898773216366,0.3265369063121102,0.3038431224727572,0.4393333219107669
EOS-2-17608,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Br)cc4)n23)cc1,DBRVZFDXCNNFPE-UHFFFAOYSA-N,2,1,0.746,43,402,463.299,3.323,5,0.395,0.78,1.0,0.7422212322664656,0.6773439106298403,0.3563840723733809,0.3901548900006854,0.5415260263175931
EOS-2-17609,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1,DUZZWMKFPAXQFC-UHFFFAOYSA-N,2,1,0.561,4,22,463.299,3.323,5,0.395,0.63,1.0,0.4541498183811939,0.48332019738194776,0.3828044685079844,0.35140668905489686,0.4179202933315057
EOS-2-17610,Oc1cc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)ccc1Cl,UQGZGZGPAWDSBQ-UHFFFAOYSA-N,2,1,0.653,90,281,436.686,4.474,4,0.464,0.66,1.0,0.9394918100198753,0.9638390103488452,0.894832430950586,0.932946679459941,0.9327774826948119
EOS-2-17611,Clc1ccc(Oc2ccc(COc3cncc4nnc(-c5ccccc5)n34)cc2)cc1Cl,GJDNCZZVEGRNRM-UHFFFAOYSA-N,2,1,0.632,79,590,463.324,6.469,5,0.289,0.84,1.0,0.9690991021862793,0.954972243163594,0.9601980673017614,0.9667517647865123,0.9627552943595367
EOS-2-17612,Clc1ccc(Oc2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1,OUNDUYWIKNNKFX-UHFFFAOYSA-N,2,1,0.676,79,590,463.324,6.469,5,0.289,0.85,1.0,0.9863271879925982,0.9904992803783154,0.9612603659790282,0.9727828798574464,0.9777174285518471
EOS-2-17613,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5Cl)n34)cc2)cc1,FZGBPFIMWHLMIB-UHFFFAOYSA-N,2,1,0.582,83,23,463.324,6.05,5,0.344,0.71,1.0,0.9681310396819958,0.9677283942156124,0.9671715441025289,0.9748475087382633,0.9694696216846002
EOS-2-17614,Clc1ccc(-c2nnc3cncc(OCc4ccc(Oc5cccc(Cl)c5)cc4)n23)cc1,SOKXVQGBDROGRQ-UHFFFAOYSA-N,2,1,0.685,79,590,463.324,6.469,5,0.289,0.83,1.0,0.9820437255842642,0.9895569186484819,0.9612689329038449,0.972791446782263,0.9764152559797136
EOS-2-17615,COc1ccccc1Oc1cncc2nnc(-c3cc(-c4ccccc4)c(Cl)cc3Cl)n12,HKBNWSNHAVQJAZ-UHFFFAOYSA-N,2,1,0.481,79,480,463.324,6.566,5,0.295,0.85,1.0,0.8932475498595024,0.8957319580563361,0.9454972243163594,0.9485042149270098,0.9207452367898019
EOS-2-17616,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)cn1,GNADBCCLRZQLCJ-UHFFFAOYSA-N,2,1,0.597,11,111,463.328,5.177,5,0.323,0.77,1.0,0.8614728257144816,0.8957405249811528,0.8508755397162634,0.880439997258584,0.8721322219176205
EOS-2-17617,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)cn1,RGPWRWAMNYJACX-UHFFFAOYSA-N,2,1,0.6,11,201,463.328,5.177,5,0.323,0.78,1.0,0.9618429168665615,0.9517510794325269,0.8237954903707765,0.8640343362346652,0.9003559557261325
EOS-2-17618,Clc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1,ABTIZQGEJWSAFH-UHFFFAOYSA-N,2,1,0.659,91,613,463.328,5.177,5,0.346,0.83,1.0,0.8966314851620862,0.9486498526488931,0.8128897950791584,0.8656106504009321,0.8809454458227675
EOS-2-17619,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)nc1,SZRWVMGPVRKXGO-UHFFFAOYSA-N,2,1,0.588,11,429,463.328,5.177,5,0.346,0.78,1.0,0.9605921458433281,0.9568141319991775,0.8274621341923103,0.8720272770886163,0.904223922280858
EOS-2-17620,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)cc1Cl,NAHQSWGUWSFMLP-UHFFFAOYSA-N,2,1,0.778,91,781,463.328,5.177,5,0.346,0.78,1.0,0.954895140840244,0.9719775889246796,0.9081282982660545,0.9241912822973065,0.9397980775820711
EOS-2-17621,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nc5)n4)n23)ccc1Cl,PULGHUVSSFHHMD-UHFFFAOYSA-N,2,1,0.495,1,436,463.328,5.443,5,0.323,0.76,1.0,0.7773199232403536,0.8824446576656844,0.8553817421698308,0.8720358440134329,0.8467955417723254
EOS-2-17622,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cc1,CAAMLJHCASMNBO-UHFFFAOYSA-N,2,1,0.605,35,137,463.328,5.177,5,0.323,0.77,1.0,0.8841237749297512,0.9263415804262902,0.8582687958330477,0.8983620039750532,0.8917740387910357
EOS-2-17623,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cc1,VIAGKRDPQKXDBY-UHFFFAOYSA-N,2,1,0.511,11,275,463.328,5.177,5,0.323,0.79,1.0,0.8237098211226098,0.9442121855938592,0.7604430813515181,0.8375368377767116,0.8414754814611747
EOS-2-17624,Cc1nc(Cl)ccc1-c1cccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,VYZTZNRWLPBJMR-UHFFFAOYSA-N,2,1,0.542,1,31,463.328,5.443,5,0.323,0.74,1.0,0.5652114317044754,0.662728736892605,0.812898362003975,0.8295695976972106,0.7176020320745665
EOS-2-17625,COc1cccc(-c2nc(Cl)ncc2-c2cncc3nnc(-c4ccc(Cl)c(C)c4)n23)c1,QMVVOLGSYIPJKM-UHFFFAOYSA-N,2,1,0.349,96,46,463.328,5.539,5,0.326,0.72,1.0,0.4585703515865945,0.5958039202247961,0.8508841066410802,0.8555959152902474,0.6902135734356796
EOS-2-17626,Clc1cncc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)c1,CWCIDHRWBJVMCE-UHFFFAOYSA-N,2,1,0.568,35,352,463.328,5.177,5,0.323,0.73,1.0,0.8454269755328627,0.8932218490850524,0.8553903090946474,0.8928791720923858,0.8717295764512372
EOS-2-17627,Clc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cccc(Cl)c5)c4)n23)c1,IVUBQUGYYCMGRO-UHFFFAOYSA-N,2,1,0.563,35,429,463.328,5.177,5,0.346,0.78,1.0,0.8106024261531081,0.877373038174217,0.847303132067713,0.9009406483448701,0.8590548111849771
EOS-2-17628,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cc1,FPFMBVCLTPDFKH-UHFFFAOYSA-N,2,1,0.573,35,137,463.328,5.177,5,0.346,0.78,1.0,0.8679065862517991,0.922657802755123,0.8553988760194641,0.9044359536700706,0.8875998046741143
EOS-2-17629,Clc1cncc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c1,LFVHTUIWJKKEHV-UHFFFAOYSA-N,2,1,0.552,35,111,463.328,5.177,5,0.323,0.78,1.0,0.8614813926392982,0.8773816050990336,0.8491107532040298,0.887456308683435,0.8688575149064491
EOS-2-17630,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)nc1,LEIJGZIMNUHXPQ-UHFFFAOYSA-N,2,1,0.605,11,201,463.328,5.177,5,0.323,0.76,1.0,0.9681396066068124,0.9631279555890617,0.8294239599753273,0.8640429031594818,0.9061836063326708
EOS-2-17631,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cc1,RHYVMNBAQQPSCG-UHFFFAOYSA-N,2,1,0.548,11,384,463.328,5.177,5,0.323,0.86,1.0,0.8081608525803577,0.8632633130011651,0.8311630457131108,0.884646357343568,0.8468083921595504
EOS-2-17632,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1Cl,KKJHRDNAKXNLRQ-UHFFFAOYSA-N,2,1,0.778,91,781,463.328,5.177,5,0.346,0.78,1.0,0.9665718593653622,0.9677369611404291,0.8805428003563841,0.8983705708998698,0.9283055479405113
EOS-2-17633,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2Cl)ccn1,IXPYDHGPLAIWPF-UHFFFAOYSA-N,2,1,0.593,4,71,463.328,5.443,5,0.345,0.66,1.0,0.7057518333219107,0.8230587348365431,0.87538551161675,0.8874648756082517,0.8229152388458639
EOS-2-17634,Clc1ccc(-c2ccncc2-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,SLBFGUPPFPSVKR-UHFFFAOYSA-N,2,1,0.605,35,111,463.328,5.177,5,0.323,0.74,1.0,0.8896922760605853,0.9092676992666713,0.8409293400041121,0.8874734425330684,0.8818406894661093
EOS-2-17635,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)cc1,IDHGSDISQHMMPS-UHFFFAOYSA-N,2,1,0.518,11,801,463.328,5.177,5,0.346,0.8,1.0,0.8288414090877938,0.9415136042766089,0.789793365773422,0.8624066205194983,0.8556387499143309
EOS-2-17636,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cc1Cl,ONVQDPTYYOQVKR-UHFFFAOYSA-N,2,1,0.59,11,429,463.328,5.177,5,0.346,0.88,1.0,0.9233774244397231,0.9415221712014256,0.8491193201288465,0.8832413816736344,0.8993150743609074
EOS-2-17637,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)c4)n23)cc1Cl,WVZMMPXPPBOIED-UHFFFAOYSA-N,2,1,0.529,97,91,463.328,5.443,5,0.323,0.7,1.0,0.8724384894798163,0.8442447399081625,0.9136710986224384,0.919873552189706,0.8875569700500308
EOS-2-17638,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)nc1,ADPVCWNNHYMMTO-UHFFFAOYSA-N,2,1,0.522,11,275,463.328,5.177,5,0.346,0.77,1.0,0.8312058803371941,0.9111781235007882,0.7743557672537866,0.8488623123843465,0.8414005208690288
EOS-2-17639,Cc1cc(-c2nnc3cncc(OCc4cc(Cl)cc(-c5cccnc5)n4)n23)ccc1Cl,SJSKBXFUVBDYLM-UHFFFAOYSA-N,2,1,0.54,97,436,463.328,5.443,5,0.345,0.72,1.0,0.7331745596600644,0.8570608594338976,0.8539339318758139,0.8804485641834007,0.8311544787882942
EOS-2-17640,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cc1,DVSPKWSALFAGHZ-UHFFFAOYSA-N,2,1,0.539,11,801,463.328,5.177,5,0.346,0.76,1.0,0.8590055513672812,0.9442207525186759,0.7858440134329381,0.8540110341991639,0.8607703378795147
EOS-2-17641,Cc1nc(Cl)ccc1COc1cncc2nnc(-c3ccc(Cl)c(-c4ccccn4)c3)n12,AJFSOLVMDSCDQN-UHFFFAOYSA-N,2,1,0.517,97,666,463.328,5.443,5,0.323,0.72,1.0,0.9355081899801247,0.9092762661914879,0.8238040572955931,0.8505928311973134,0.8797953361661298
EOS-2-17642,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)c(Cl)c1,MJSQYEDJWPBTFY-UHFFFAOYSA-N,2,1,0.625,11,595,463.328,5.177,5,0.346,0.8,1.0,0.9093790692892879,0.9131485162086218,0.8378024124460284,0.8804571311082174,0.8851967822630389
EOS-2-17643,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cc1,QQSLJBJBSBGVOX-UHFFFAOYSA-N,2,1,0.462,11,560,463.328,5.177,5,0.323,0.84,1.0,0.7687187307244192,0.8112877801384415,0.7536923445959838,0.8415204578164622,0.7938048283188266
EOS-2-17644,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cc1,XSAVDCGXRJFFAD-UHFFFAOYSA-N,2,1,0.701,91,613,463.328,5.177,5,0.346,0.86,1.0,0.9395003769446919,0.9606007127681447,0.822005003084093,0.870536632170516,0.8981606812418613
EOS-2-17645,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cc1,IBINOMJSTSMGOP-UHFFFAOYSA-N,2,1,0.489,11,560,463.328,5.177,5,0.346,0.78,0.997,0.7512165033239668,0.7993883215680899,0.7791703790007539,0.857386402576931,0.7967904016174354
EOS-2-17646,Clc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)c1,UAEKHVRAIIHVBN-UHFFFAOYSA-N,2,1,0.586,11,595,463.328,5.177,5,0.323,0.84,1.0,0.9062949763552876,0.9428157768487424,0.827470701117127,0.8761908025495169,0.8881930642176684
EOS-2-17647,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)cc2)nc1,LZWGIHFLMLCOLH-UHFFFAOYSA-N,2,1,0.578,11,201,463.328,5.177,5,0.323,0.69,1.0,0.9717719827290796,0.9646871359056953,0.8064646014666575,0.8556044822150641,0.8996320505791242
EOS-2-17648,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)c(Cl)c1,TUEDMSKHWUHRPB-UHFFFAOYSA-N,2,1,0.506,59,801,463.328,5.443,5,0.345,0.73,1.0,0.7452539236515661,0.815271400178192,0.8539424988006306,0.8804656980330341,0.8237333801658557
EOS-2-17649,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nc1,YTVCPYGFPWDOAA-UHFFFAOYSA-N,2,1,0.568,11,201,463.328,5.177,5,0.323,0.74,1.0,0.8966400520869029,0.8957490919059694,0.8181670207662257,0.8591597560139812,0.8674289801932697
EOS-2-17650,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c(Cl)c1,LRYBAEGGEJYQQF-UHFFFAOYSA-N,2,1,0.61,11,56,463.328,5.177,5,0.346,0.79,1.0,0.8821962168460009,0.9415307381262422,0.8046312795558906,0.8540196011239806,0.8705944589130286
EOS-2-17651,Clc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)c1,BEGGAEUCEZZGOZ-UHFFFAOYSA-N,2,1,0.562,11,201,463.328,5.177,5,0.323,0.78,1.0,0.8764049756699335,0.882453224590501,0.8238126242204098,0.8688746487560826,0.8628863683092317
EOS-2-17652,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)cn1,YGLAHQQUABNCBP-UHFFFAOYSA-N,2,1,0.722,11,525,463.328,5.177,5,0.323,0.8,1.0,0.8524432869577137,0.9049499691590707,0.8425741895689124,0.8832499485984511,0.870804348571037
EOS-2-17653,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cn1,IMZPESYHDLPGPQ-UHFFFAOYSA-N,2,1,0.618,91,111,463.328,5.177,5,0.323,0.79,1.0,0.9612774998286615,0.9677455280652457,0.8599222123226646,0.8846549242683847,0.9184000411212392
EOS-2-17654,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nc1,WERSOGCRAFGCGF-UHFFFAOYSA-N,2,1,0.489,11,848,463.328,5.177,5,0.323,0.77,1.0,0.8501045164827633,0.8690202864779659,0.7465989308477828,0.817593036803509,0.8208291926530054
EOS-2-17655,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5cccnc5)c4)n23)c1,SBUCTNJGPVCGFI-UHFFFAOYSA-N,2,1,0.563,11,490,463.328,5.177,5,0.346,0.7,1.0,0.9109639503803715,0.9631365225138784,0.8328335960523611,0.8861884038105682,0.8982806181892948
EOS-2-17656,Clc1ccc(CCOc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)cc1Cl,NMZATWFAGFFWAP-UHFFFAOYSA-N,2,1,0.692,11,747,463.328,5.177,5,0.346,0.72,0.995,0.9063035432801042,0.8979422246590364,0.765163456925502,0.8254660407100267,0.8487188163936674
EOS-2-17657,Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)c2)nn1,ZGGSKVQLNNTNJN-UHFFFAOYSA-N,2,1,0.578,43,433,463.328,5.443,5,0.345,0.78,1.0,0.872447056404633,0.9559146048934275,0.8740833390446165,0.8888098828044685,0.8978137207867863
EOS-2-17658,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cc1,SRHDYVZRWILZAQ-UHFFFAOYSA-N,2,1,0.638,11,595,463.328,5.177,5,0.323,0.78,1.0,0.9286375162771572,0.9464652868206429,0.842582756493729,0.8846634911932013,0.9005872626961826
EOS-2-17659,Clc1ccc(-c2ccncc2-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,JZMAYUMWQFHPIT-UHFFFAOYSA-N,2,1,0.511,11,275,463.328,5.177,5,0.323,0.68,1.0,0.8312144472620109,0.8718216708930162,0.7743643341786033,0.8540281680487972,0.8328571550956069
EOS-2-17660,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ncccc5Cl)nc4)n23)cc1,IVLGTZXACVDGJQ-UHFFFAOYSA-N,2,1,0.707,11,595,463.328,5.177,5,0.346,0.78,1.0,0.982335001028031,0.9881519429785485,0.767639298197519,0.8434822835994791,0.8954021314508944
EOS-2-17661,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)ccc1Cl,FFAJSFGMCTYOOJ-UHFFFAOYSA-N,2,1,0.467,59,560,463.328,5.443,5,0.345,0.75,1.0,0.5261548214652868,0.6004643273250634,0.862877801384415,0.8901206223014186,0.7199043931190459
EOS-2-17662,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)cn1,FWCHAZDYHRYYPS-UHFFFAOYSA-N,2,1,0.654,11,732,463.328,5.177,5,0.323,0.81,1.0,0.9046929614145707,0.9486584195737098,0.8362860667534782,0.8790264546638339,0.8921659756013981
EOS-2-17663,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)nc1,RLDRXLHCKNVFFV-UHFFFAOYSA-N,2,1,0.576,11,922,463.328,5.177,5,0.323,0.73,1.0,0.9404427386745254,0.9529418819820438,0.8238211911452266,0.8656192173257488,0.8957062572818861
EOS-2-17664,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)c(Cl)c4)n23)c1,KZKNSKCGFDYRSO-UHFFFAOYSA-N,2,1,0.59,35,429,463.328,5.177,5,0.346,0.8,1.0,0.9194537728736892,0.9453601535192927,0.8582773627578645,0.8996641765471867,0.9056888664245083
EOS-2-17665,Cc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cn4)cc3)n12,WTOQKZZEKBPKBD-UHFFFAOYSA-N,2,1,0.512,97,22,463.328,5.443,5,0.345,0.73,1.0,0.8335703515865944,0.7993968884929066,0.8007504626139401,0.8355664450688781,0.8173210369405798
EOS-2-17666,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1Cl,GLVZFKRQTHSDHX-UHFFFAOYSA-N,2,1,0.712,84,360,463.328,5.177,5,0.346,0.87,1.0,0.9494551435816599,0.9428243437735591,0.8614985264889315,0.887482009457885,0.910315005825509
EOS-2-17667,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cc(Cl)n2)cc1,LWIUSWHJPKWCHJ-UHFFFAOYSA-N,2,1,0.598,11,275,463.328,5.177,5,0.323,0.76,1.0,0.8950808717702693,0.9328010417380577,0.7514992118429169,0.8273593310945103,0.8516851141114385
EOS-2-17668,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cc1,ZXSDPBFLPUGEKC-UHFFFAOYSA-N,2,1,0.598,35,352,463.328,5.177,5,0.323,0.78,1.0,0.8822047837708177,0.9281834692618738,0.8642399424302653,0.9044445205948872,0.894768179014461
EOS-2-17669,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)c2)nc1,XEQPKYYXTXTGPA-UHFFFAOYSA-N,2,1,0.551,11,201,463.328,5.177,5,0.323,0.66,1.0,0.9109725173051881,0.9049585360838873,0.7938797889109726,0.852434720032897,0.8655613905832362
EOS-2-17670,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)nc1,KMAAAXDSBKFUTO-UHFFFAOYSA-N,2,1,0.533,11,111,463.328,5.177,5,0.323,0.71,1.0,0.797066684942773,0.860324857789048,0.8129069289287917,0.8607275032554315,0.832756493729011
EOS-2-17671,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cc1,RXRMOGXCOKLVJY-UHFFFAOYSA-N,2,1,0.511,11,137,463.328,5.177,5,0.323,0.78,1.0,0.7773284901651704,0.885237475155918,0.7986601329586731,0.867264066890549,0.8321225412925776
EOS-2-17672,Cc1c(Cl)cccc1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)nc4)c3)n12,NEHMPNGWJQOTNU-UHFFFAOYSA-N,2,1,0.483,97,884,463.328,5.443,5,0.323,0.7,1.0,0.7512250702487835,0.7699523678980194,0.9050356384072373,0.9145106572544719,0.8351809334521281
EOS-2-17673,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cc1,JNSINSQPQDZYCZ-UHFFFAOYSA-N,2,1,0.548,11,384,463.328,5.177,5,0.323,0.81,1.0,0.8386848057021452,0.8540624357480638,0.8220135700089096,0.8776129120690837,0.8480934308820505
EOS-2-17674,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cc1,ZHEVSZWJAKPORD-UHFFFAOYSA-N,2,1,0.518,11,503,463.328,5.177,5,0.346,0.86,1.0,0.8288499760126106,0.8373826331300116,0.819966074977726,0.884672058118018,0.8427176855595915
EOS-2-17675,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)c(Cl)c1,BHPBNWLSAUNPKU-UHFFFAOYSA-N,2,1,0.625,91,660,463.328,5.177,5,0.346,0.74,1.0,0.9625454047015284,0.9685165512987458,0.8766705503392502,0.8996727434720033,0.926851312452882
EOS-2-17676,Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c2)nn1,WSBNWKYWAFMWBK-UHFFFAOYSA-N,2,1,0.534,43,433,463.328,5.443,5,0.345,0.78,1.0,0.7597919950654513,0.9372729764923583,0.8491278870536633,0.8776214789939003,0.8559535844013433
EOS-2-17677,Clc1cncc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)n1,LQDIWBOKNMERAS-UHFFFAOYSA-N,2,1,0.679,11,742,463.328,5.177,5,0.346,0.74,1.0,0.8432252758549791,0.9131570831334385,0.8129154958536083,0.8672726338153657,0.8591426221643479
EOS-2-17678,Cn1nc(-c2nncn2C(F)(F)F)cc1Oc1cncc2nnc(-c3cc(F)cc(F)c3)n12,PYYHBZWQNFGFSU-UHFFFAOYSA-N,2,1,0.449,36,292,463.33,3.33,5,0.377,0.62,1.0,0.502989856761017,0.6285809745733671,0.8819649098759509,0.827367898019327,0.7102259098074155
EOS-2-17679,Brc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)cc1,LQDLXVARYBJOFM-UHFFFAOYSA-N,2,1,0.735,1,326,463.36,5.861,5,0.328,0.86,1.0,0.9531988897265438,0.904967103008704,0.885545884449318,0.8861969707353848,0.9074772119799878
EOS-2-17680,N#Cc1ccccc1-n1nnc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)n1,LSGMSCXRSKBGPD-UHFFFAOYSA-N,2,1,0.506,43,51,463.383,3.236,5,0.39,0.74,1.0,0.5708656020834761,0.6195942704406826,0.8539510657254472,0.8047083818792407,0.7122798300322117
EOS-2-17681,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccn(C(F)F)n5)n4)n23)c(F)c1,HAJOYXMDZDZPDM-UHFFFAOYSA-N,2,1,0.432,27,212,463.383,3.43,5,0.376,0.63,1.0,0.5761599616201768,0.6921475567130423,0.8129240627784251,0.7628675210746351,0.7110247755465697
EOS-2-17682,COc1cc(-c2cncc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)ccn1,IYIHOMWMOPFUJB-UHFFFAOYSA-N,2,1,0.622,27,996,463.404,4.046,5,0.353,0.79,1.0,0.887841820300185,0.8305804948255774,0.8046398464807073,0.6527825371804538,0.7939611746967308
EOS-2-17683,FC(F)Oc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nn1,CDYLAMRQQVWVFG-UHFFFAOYSA-N,2,1,0.484,53,411,463.408,2.656,5,0.339,0.74,0.998,0.6905284079226921,0.6532708518950038,0.35265746007813037,0.3255602768830101,0.5055042491947092
EOS-2-17684,COc1cncc(COc2cncc3nnc(-c4ccc(-c5noc(=O)n5C)c(OC)n4)n23)n1,KCAYKBQUOAEWSS-UHFFFAOYSA-N,2,1,0.371,7,456,463.414,0.926,5,0.337,0.57,0.967,0.22723768076211362,0.09244568569666232,0.011685285449934892,0.0024415735727503257,0.08345255637036529
EOS-2-17685,Fc1cccc(COc2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2)c1,AFEGPBAIQXOPOC-UHFFFAOYSA-N,2,1,0.586,57,397,463.419,4.762,5,0.347,0.73,1.0,0.9592985401960112,0.9538842437118772,0.9576708244808444,0.9415564389006922,0.9531025118223562
EOS-2-17686,OCc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cc2)cc1,FQHHQZIVNGVOBI-UHFFFAOYSA-N,2,1,0.542,1,528,463.419,5.157,5,0.388,0.84,1.0,0.9047015283393873,0.897950791583853,0.9882204783770817,0.965261119868412,0.9390334795421835
EOS-2-17687,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)nc1,JQCZDZLDJVMXGK-UHFFFAOYSA-N,2,1,0.714,1,640,463.419,5.173,5,0.331,0.8,1.0,0.9878178329106984,0.9777859639503804,0.9696645192241793,0.9550836131862107,0.9725879823178673
EOS-2-17688,FC(F)(F)Oc1ccccc1COc1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,YADYIFPATWJERH-UHFFFAOYSA-N,2,1,0.573,1,640,463.419,5.331,5,0.339,0.74,1.0,0.9724230690151463,0.9024826948118704,0.9850250154204647,0.9642159550407786,0.9560366835720651
EOS-2-17689,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)cc1,GYHKYUQRNIAQNF-UHFFFAOYSA-N,2,1,0.62,79,138,463.419,5.576,5,0.328,0.76,1.0,0.9557089986978274,0.9296826811047906,0.9883832499485985,0.9630851209649784,0.9592150126790487
EOS-2-17690,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)cc1,WFIRDYAKXKEGIN-UHFFFAOYSA-N,2,1,0.679,1,640,463.419,5.173,5,0.331,0.82,1.0,0.9468336645877595,0.9677540949900624,0.9587502570077445,0.944734768007676,0.9545181961483107
EOS-2-17691,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1-c1cccnc1,IDOGUGXPSURENP-UHFFFAOYSA-N,2,1,0.75,1,640,463.419,5.173,5,0.331,0.79,1.0,0.9882975807004317,0.9800047974778974,0.9780172709204304,0.9677797957645123,0.9785248612158179
EOS-2-17692,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccccc5)c4)n23)cc1,MJAPRMALRMTDPI-UHFFFAOYSA-N,2,1,0.62,1,640,463.419,5.331,5,0.339,0.78,1.0,0.9839284490439312,0.9343859228291412,0.9814354739222808,0.9587588239325612,0.9646271674319786
EOS-2-17693,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)n4)n23)cc1,KUTCLBHKTSHTLS-UHFFFAOYSA-N,2,1,0.61,79,640,463.419,5.331,5,0.339,0.78,1.0,0.9395089438695086,0.9171235693235557,0.9725173051881296,0.9439380439997258,0.94327196559523
EOS-2-17694,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)cc1,YISJKSOEBZIZBE-UHFFFAOYSA-N,2,1,0.658,1,640,463.419,5.331,5,0.339,0.83,1.0,0.9781457747926804,0.9328096086628743,0.9847765746007813,0.9624940031526283,0.9645564903022411
EOS-2-17695,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccccn4)n23)cc1,DFMXLOWJNDLEFB-UHFFFAOYSA-N,2,1,0.605,1,640,463.419,5.331,5,0.339,0.76,1.0,0.985453361661298,0.9442293194434925,0.9800561990267973,0.9557346994722774,0.9663683949009664
EOS-2-17696,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)c1,WZALYDYESUCYLQ-UHFFFAOYSA-N,2,1,0.731,1,640,463.419,5.173,5,0.331,0.83,1.0,0.9395175107943252,0.9638475772736619,0.9683794805016791,0.9564114865327942,0.9570390137756151
EOS-2-17697,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1ccc(F)nc1,KKVNAOBUWGJQFJ-UHFFFAOYSA-N,2,1,0.667,57,96,463.419,4.858,5,0.335,0.68,1.0,0.9830717565622644,0.963145089438695,0.9693047083818792,0.9463967514221096,0.965479576451237
EOS-2-17698,FC(F)(F)Oc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,JPSFKLAWBUQYEC-UHFFFAOYSA-N,2,1,0.56,1,640,463.419,5.331,5,0.339,0.73,1.0,0.9763210198067301,0.902491261736687,0.979782057432664,0.9524364334178603,0.9527576930984853
EOS-2-17699,Fc1cc(-c2nnc3cncc(OCc4ccccc4-c4ccccn4)n23)ccc1OC(F)F,NIEJPLVYVTWPJV-UHFFFAOYSA-N,2,1,0.581,1,640,463.419,5.173,5,0.331,0.71,1.0,0.9811613323281475,0.9699129600438626,0.9623312315811117,0.9431498869165924,0.9641388527174286
EOS-2-17700,Fc1ccc(COc2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2)cc1,DETJEOZRCUZJNY-UHFFFAOYSA-N,2,1,0.662,57,397,463.419,4.762,5,0.347,0.79,1.0,0.9681481735316291,0.9538928106366938,0.960206634226578,0.9439466109245426,0.9565485573298609
EOS-2-17701,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cc4)n23)cc1,IDVZMPJHJNMDJP-UHFFFAOYSA-N,2,1,0.653,1,640,463.419,5.331,5,0.339,0.84,1.0,0.9814440408470976,0.9296912480296073,0.9882290453018985,0.972071825097663,0.9678590398190665
EOS-2-17702,OCc1ccc(-c2nnc3cncc(OCc4cc(F)cnc4-c4ccc(F)cc4)n23)cc1F,JFAGXLCNTWTHHD-UHFFFAOYSA-N,2,1,0.565,57,798,463.419,4.342,5,0.403,0.64,1.0,0.9741193201288465,0.9387293537111918,0.9560174079912275,0.9499520252210266,0.9547045267630732
EOS-2-17703,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cc1,KSAXWZUZOQFPRW-UHFFFAOYSA-N,2,1,0.75,1,640,463.419,5.173,5,0.331,0.86,1.0,0.9880320060311151,0.9747190048660133,0.9703070385854293,0.9570368720444109,0.9725237303817421
EOS-2-17704,Fc1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,CARCOSUJGVZVQI-UHFFFAOYSA-N,2,1,0.711,1,640,463.419,5.173,5,0.31,0.82,1.0,0.9867812350078816,0.9757384689191968,0.9728514152559797,0.9594784456171612,0.9737123912000548
EOS-2-17705,COc1nc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)c(F)c4)n23)ccc1F,LGOMDTIBPMRCDQ-UHFFFAOYSA-N,2,1,0.554,57,461,463.419,4.858,5,0.358,0.73,1.0,0.9179545610307724,0.9453687204441094,0.9285518470289905,0.902054348571037,0.9234823692687274
EOS-2-17706,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)cn1,YWBOYVLROOOWEB-UHFFFAOYSA-N,2,1,0.75,1,640,463.419,5.173,5,0.31,0.8,1.0,0.9854619285861147,0.9699215269686793,0.977383318483997,0.9642245219655953,0.9742478240010966
EOS-2-17707,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)nc5)cc4)n23)cc1,QCBBUCWFYXOQDD-UHFFFAOYSA-N,2,1,0.711,1,326,463.419,5.173,5,0.331,0.88,1.0,0.9851877869919814,0.9692361729833459,0.9728599821807964,0.9582019738194778,0.9713714789939004
EOS-2-17708,Fc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(OC(F)F)cn4)c3)n12,XQBAURNHMHWXNF-UHFFFAOYSA-N,2,1,0.588,1,640,463.419,5.173,5,0.331,0.82,1.0,0.9691076691110959,0.959744020286478,0.9689106298403125,0.9557432663970941,0.9633763964087452
EOS-2-17709,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1-c1ccccn1,LHZZONLTRGKCQV-UHFFFAOYSA-N,2,1,0.722,1,640,463.419,5.173,5,0.331,0.77,1.0,0.9918357206497156,0.9815125762456308,0.9709581248714961,0.9564200534576108,0.9751816188061133
EOS-2-17710,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)c1,DLLZEBXVCXRIAI-UHFFFAOYSA-N,2,1,0.7,1,640,463.419,5.173,5,0.331,0.85,1.0,0.9846138030292646,0.9713265026386129,0.9683880474264958,0.9550921801110274,0.9698551333013502
EOS-2-17711,Fc1ccccc1COc1cncc2nnc(-c3cncc(-c4ccc(OC(F)F)cc4)c3)n12,PJASQXJRYYAUNW-UHFFFAOYSA-N,2,1,0.638,1,640,463.419,5.173,5,0.331,0.82,1.0,0.947724624768693,0.9507658830786101,0.9756785004454801,0.9682081420053458,0.9605942875745322
EOS-2-17712,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)nc4)n23)cc1,ISGIGHQLAOHSHM-UHFFFAOYSA-N,2,1,0.628,1,640,463.419,5.331,5,0.339,0.82,1.0,0.985196353916798,0.9153159481872387,0.9803303406209307,0.9557518333219107,0.9591486190117197
EOS-2-17713,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)n1,TXALODLADAGGAL-UHFFFAOYSA-N,2,1,0.448,44,531,463.423,3.991,5,0.376,0.71,1.0,0.8263570008909602,0.7527671167157837,0.7156294976355287,0.7182595435542458,0.7532532896991296
EOS-2-17714,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)c2)cn1,NUJVEIPGRDTKGP-UHFFFAOYSA-N,2,1,0.473,27,343,463.423,4.607,5,0.363,0.7,1.0,0.8432338427797957,0.880028784867384,0.917629017887739,0.8640514700842985,0.8762357789048043
EOS-2-17715,Cc1ncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(-c2cccc(F)c2)n1,RMFXQHLUKDTIRZ-UHFFFAOYSA-N,2,1,0.448,27,430,463.423,4.607,5,0.363,0.75,0.998,0.8679151531766157,0.8773901720238503,0.8294325269001439,0.7628760879994517,0.8344034850250154
EOS-2-17716,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)n1,XWCZQZLKTAEGME-UHFFFAOYSA-N,2,1,0.421,44,500,463.423,4.256,5,0.385,0.66,1.0,0.7422297991912823,0.7021194571996436,0.7791789459255706,0.7423583030635323,0.7414716263450072
EOS-2-17717,Fc1cnc(-c2ccc(CCOc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)nc1,IRQICCRSWXFWHP-UHFFFAOYSA-N,2,1,0.585,35,166,463.423,4.342,5,0.355,0.68,1.0,0.9755585634980467,0.964695702830512,0.8362946336782948,0.7892108148858885,0.8914399287231856
EOS-2-17718,Fc1cc(F)c2sc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2c1,SKLDFNCSFHPUQQ-UHFFFAOYSA-N,2,1,0.5,81,22,463.429,4.308,6,0.373,0.7,1.0,0.6163988074840655,0.6577599204989377,0.5248526488931533,0.5525580837502571,0.5878923651566034
EOS-2-17719,COc1cc(-c2nnc3cncc(OCc4nnnn4C)n23)ccc1-c1cc(F)cnc1OC,WOEWGBCXFDBDCI-UHFFFAOYSA-N,2,1,0.42,36,638,463.433,2.112,5,0.354,0.65,1.0,0.49789253649509974,0.4792937427181139,0.13623980535946817,0.0820711397436776,0.2988743060790898
EOS-2-17720,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)s5)n34)cc2)cc1,TXRHKXFTBJMTHJ-UHFFFAOYSA-N,2,1,0.385,93,651,436.565,6.915,6,0.301,0.73,1.0,0.17408847919950654,0.20461243232129395,0.8086491672949078,0.8506013981221301,0.5094878692344595
EOS-2-17721,Fc1cnc(-c2ccc(Oc3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nn2)nc1,JULVJJWYEMUOBJ-UHFFFAOYSA-N,2,1,0.34,30,797,463.436,4.032,6,0.373,0.71,0.867,0.6390411897745185,0.5569700500308409,0.2973665273113563,0.33208827359331095,0.45636651017750673
EOS-2-17722,FC(F)n1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)n2)cn1,CPWASOXIJTTYFQ-UHFFFAOYSA-N,2,1,0.262,99,286,463.437,3.149,6,0.383,0.68,0.709,0.0040093208142005345,0.06866390240559249,0.2140703173188952,0.26492358303063535,0.1379167808923309
EOS-2-17723,Cc1ncc(-c2nnc3cncc(-c4cnnc(-c5cccnn5)n4)n23)c(-c2ccc(F)cc2)n1,WWRDQVDKVGHXSJ-UHFFFAOYSA-N,2,1,0.314,10,507,463.44,3.005,6,0.384,0.61,0.12,0.3155969433212254,0.3506527996710301,0.1608697142073881,0.23230930025358099,0.26485718936330616
EOS-2-17724,CCOc1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1ccoc1,OBSILPWVOUCCII-UHFFFAOYSA-N,2,1,0.6,84,308,463.444,4.745,5,0.328,0.63,0.999,0.7886625316976218,0.4793023096429306,0.7651720238503187,0.6877013227331917,0.6802095469810158
EOS-2-17725,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ccc(OC(F)F)cc1,KKBPXEMTFNNHEZ-UHFFFAOYSA-N,2,1,0.699,95,54,463.448,3.81,5,0.346,0.78,0.998,0.5567130422863409,0.5661966280583921,0.6457490919059694,0.5847354533616613,0.5883485539030909
EOS-2-17726,Cn1nc(-c2nnc3cncc(OCCCOc4c(F)cccc4F)n23)cc1-c1ccccn1,MVCYBAHHGGKDNX-UHFFFAOYSA-N,2,1,0.43,95,54,463.448,3.713,5,0.324,0.68,1.0,0.4309420190528408,0.33591768898636143,0.4188883558357892,0.4245339592899733,0.40257050579124115
EOS-2-17727,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cnn(C(F)F)c1,FQGGFPMAQDUENY-UHFFFAOYSA-N,2,1,0.621,15,771,463.448,4.075,5,0.342,0.58,1.0,0.6217702693441163,0.6285895414981838,0.7341254883147146,0.5690408470975259,0.6383815365636352
EOS-2-17728,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1nccn1C,NJMACHWZFBVISD-UHFFFAOYSA-N,2,1,0.575,49,551,463.448,3.495,5,0.365,0.7,1.0,0.7057604002467275,0.44407511479679257,0.5315348502501542,0.43412034815982453,0.5288726783633747
EOS-2-17729,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1nncn1C,AOZROBVBQHVZAL-UHFFFAOYSA-N,2,1,0.686,91,781,463.448,3.495,5,0.365,0.75,1.0,0.7630217257213351,0.5864745390994449,0.6896717154410252,0.5908179699814955,0.6574964875608251
EOS-2-17730,COc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cnn(C(F)F)c5)c4)n23)cn1,VDWWNGDARROGTA-UHFFFAOYSA-N,2,1,0.548,15,519,463.448,4.075,5,0.342,0.74,1.0,0.5261633883901035,0.5154632992940854,0.7604516482763347,0.584744020286478,0.5967055890617504
EOS-2-17731,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)c(F)c1,RREYQGGVJZTPFP-UHFFFAOYSA-N,2,1,0.364,69,696,463.451,5.256,6,0.355,0.73,1.0,0.3355407442944281,0.5477434720032897,0.9241313138235899,0.9292800356384072,0.6841738914399287
EOS-2-17732,Fc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)cn2)c1,PICYFZVMNVGQQK-UHFFFAOYSA-N,2,1,0.359,30,594,463.451,5.256,6,0.355,0.71,1.0,0.37727880200123365,0.497524158727983,0.8740919059694332,0.9009492152696867,0.6624610204920842
EOS-2-17733,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cnc1F,KKUGAEMDSXBLEI-UHFFFAOYSA-N,2,1,0.389,93,594,463.451,5.256,6,0.332,0.72,0.995,0.35174936604756357,0.5106572544719348,0.8713590569529162,0.8862055376602015,0.654992803783154
EOS-2-17734,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cn5)n34)cc2)cn1,WYIIRJONYBMHAU-UHFFFAOYSA-N,2,1,0.379,69,818,463.451,5.256,6,0.332,0.8,1.0,0.302609485299157,0.46608354465081214,0.9108782811322048,0.9088821876499212,0.6471133746830238
EOS-2-17735,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)c1F,LNRHBAISNJXHND-UHFFFAOYSA-N,2,1,0.325,69,696,463.451,5.256,6,0.355,0.7,1.0,0.3378966486190117,0.49256390925913235,0.9267699266671235,0.9292886025632239,0.6716297717771229
EOS-2-17736,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6F)nc5)n34)cn2)nc1,UZTIKDLDZGGKAW-UHFFFAOYSA-N,2,1,0.378,32,20,463.451,5.256,6,0.355,0.76,1.0,0.3403039544924954,0.5154718662189021,0.8582859296826811,0.8790350215886505,0.6482741929956822
EOS-2-17737,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)c1,BMVCYVKDKPQTHS-UHFFFAOYSA-N,2,1,0.392,32,20,463.451,5.256,6,0.332,0.7,0.998,0.2920121993009389,0.4262302104036735,0.837810979370845,0.8656277842505654,0.6054202933315057
EOS-2-17738,Fc1cc(F)cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)c1,JYXZKRWCDYLCFO-UHFFFAOYSA-N,2,1,0.378,69,479,463.451,5.256,6,0.355,0.74,1.0,0.3929905421150024,0.5065279967103009,0.8657734219724488,0.8804742649578507,0.6614415564389007
EOS-2-17739,Fc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)c(F)c1,LKXRGGNMYZIMSO-UHFFFAOYSA-N,2,1,0.321,30,20,463.451,5.256,6,0.355,0.72,1.0,0.34031252141731205,0.452753409636077,0.8491364539784799,0.8720444109382496,0.6285616989925297
EOS-2-17740,Fc1cncc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)c2)n1,HXNITZNDOQOWRD-UHFFFAOYSA-N,2,1,0.359,69,30,463.451,5.256,6,0.355,0.74,1.0,0.3609930779247481,0.5065365636351176,0.9018316085258036,0.9101158248235214,0.6698692687272977
EOS-2-17741,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(F)c6)cn5)n34)cc2)nc1,DCXBGVBGGATPAK-UHFFFAOYSA-N,2,1,0.338,69,479,463.451,5.256,6,0.332,0.73,1.0,0.3610016448495648,0.5065451305599342,0.8911400863546022,0.8957062572818861,0.6635982797614968
EOS-2-17742,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cc(F)ccn5)c4)n23)cc1,OMZMAKJEXJUIAL-UHFFFAOYSA-N,2,1,0.316,64,885,463.451,5.256,6,0.355,0.75,1.0,0.28645226509492155,0.35565588376396406,0.804648413405524,0.8672812007401823,0.578509440751148
EOS-2-17743,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nc2)c(F)n1,GUHLLTJULDZWTF-UHFFFAOYSA-N,2,1,0.338,30,371,463.451,5.256,6,0.332,0.63,0.998,0.3131810705229251,0.4033136865190871,0.8086577342197245,0.8295781646220273,0.588682663970941
EOS-2-17744,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc1F,SIXZUPCXRDUOOD-UHFFFAOYSA-N,2,1,0.305,30,737,463.451,5.256,6,0.355,0.73,1.0,0.3306918648481941,0.4262387773284902,0.8568895209375642,0.8901291892262353,0.6259873380851209
EOS-2-17745,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6F)nc5)n34)nc2)cn1,SNWKHFLJRWUKIA-UHFFFAOYSA-N,2,1,0.368,30,737,463.451,5.256,6,0.332,0.77,1.0,0.24914330751833322,0.4354996230553081,0.8819734768007675,0.8970341306284696,0.6159126345007196
EOS-2-17746,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)cn4)n23)cc1,QGXWVVFQHSUKPK-UHFFFAOYSA-N,2,1,0.342,64,885,463.451,5.256,6,0.355,0.81,1.0,0.2864608320197382,0.4218696456719896,0.8026523199232404,0.8688832156808992,0.5949665033239668
EOS-2-17747,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(F)c6)cc5)n34)cn2)nc1,KBWKOFHJWNSBGR-UHFFFAOYSA-N,2,1,0.312,69,299,463.451,5.256,6,0.332,0.72,1.0,0.3307004317730108,0.5154804331437187,0.8866338839010349,0.8942070454389692,0.6567554485641834
EOS-2-17748,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6F)nc5)n34)cc2)nn1,SUOOELHTUBWPDM-UHFFFAOYSA-N,2,1,0.372,93,152,463.451,5.256,6,0.355,0.74,1.0,0.3403210883421287,0.5106658213967514,0.8741004728942499,0.8888184497292851,0.6534764580906037
EOS-2-17749,Fc1cc(-c2ccccc2)ncc1-c1cncc2nnc(-c3cnc(-c4cccnc4)c(F)c3)n12,OAWNUFHKXMTCBE-UHFFFAOYSA-N,2,1,0.333,30,20,463.451,5.256,6,0.355,0.66,1.0,0.30768967171544104,0.4485384826262765,0.8394558289356453,0.8688917826057159,0.6161439414707697
EOS-2-17750,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cn2)c(F)c1,SCVWCBWJDXAAPL-UHFFFAOYSA-N,2,1,0.321,30,93,463.451,5.256,6,0.355,0.8,1.0,0.30531663354122407,0.43964601466657527,0.8409379069289288,0.8790435885134672,0.6162360359125488
EOS-2-17751,Fc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1F,HYKPTVKYZBLRMY-UHFFFAOYSA-N,2,1,0.386,93,594,463.451,5.256,6,0.355,0.71,1.0,0.3864368446302515,0.4660921115756288,0.856898087862381,0.8862141045850181,0.6489102871633199
EOS-2-17752,Fc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)cc1F,GUYPPTBVBSUEIA-UHFFFAOYSA-N,2,1,0.362,32,20,463.451,5.256,6,0.355,0.73,1.0,0.33554931121924475,0.48332876430676447,0.8727126310739497,0.8832585155232677,0.6437123055308067
EOS-2-17753,Fc1cnc(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c1,HGRWFIOGZFYCTK-UHFFFAOYSA-N,2,1,0.338,30,93,463.451,5.256,6,0.332,0.73,1.0,0.34728599821807965,0.44854704955109315,0.8554074429442807,0.8689003495305325,0.6300352100609965
EOS-2-17754,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)cnc1F,PBVCANFPKQFNFI-UHFFFAOYSA-N,2,1,0.389,93,987,463.451,5.256,6,0.332,0.77,1.0,0.3254660407100267,0.4833373312315811,0.8582944966074978,0.8776300459187171,0.6361819786169557
EOS-2-17755,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)cn5)n34)cn2)cc1,IXMRBHMRHCCMJO-UHFFFAOYSA-N,2,1,0.368,32,20,463.451,5.256,6,0.332,0.76,0.999,0.3053252004660407,0.5065536974847509,0.8805513672812008,0.8928877390172024,0.6463295010622987
EOS-2-17756,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)cn2)c(F)c1,CQGVLDMYOXBULB-UHFFFAOYSA-N,2,1,0.312,30,93,463.451,5.256,6,0.355,0.79,0.768,0.28096943321225415,0.4440836817216092,0.8344870125419779,0.8776386128435337,0.6092946850798437
EOS-2-17757,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)cn2)cc1,PSWPYHRSPLCZFV-UHFFFAOYSA-N,2,1,0.384,69,20,463.451,5.256,6,0.332,0.78,1.0,0.26237063943526834,0.5154890000685354,0.8911486532794188,0.89968131039682,0.6421724007950107
EOS-2-17758,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)ncn2)cc1,DEBTVKVHAAUMHZ-UHFFFAOYSA-N,2,1,0.387,69,479,463.451,5.256,6,0.355,0.78,1.0,0.34032965526694536,0.5201065725447194,0.8831300116510178,0.8983791378246865,0.6604863443218423
EOS-2-17759,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc(F)c1-c1ccccc1,OUEVUGDGNYVEIW-UHFFFAOYSA-N,2,1,0.356,93,107,463.451,5.256,6,0.355,0.7,1.0,0.35408813652251386,0.4833458981563978,0.905044205332054,0.9198821191145227,0.665590089781372
EOS-2-17760,Fc1cccc(F)c1-c1nncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,FSNIODSKDSACSA-UHFFFAOYSA-N,2,1,0.397,93,107,463.451,5.256,6,0.355,0.75,1.0,0.3563412377492975,0.5662051949832089,0.8199746419025427,0.8790521554382839,0.6553933075183332
EOS-2-17761,Cc1nc(-c2cncn2CCF)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)n1,RNZRDRPWKFDBLE-UHFFFAOYSA-N,2,1,0.394,31,330,463.452,2.878,5,0.346,0.56,0.997,0.4263844150503735,0.20462099924611063,0.20021759989034335,0.19441779178945925,0.2564102014940717
EOS-2-17762,CCc1nc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)ccc1-c1nccn1C,DBKGHGVIKRSNPD-UHFFFAOYSA-N,2,1,0.379,7,690,463.452,3.456,5,0.361,0.63,0.208,0.4146562949763553,0.3985504763210198,0.1702676307312727,0.10334281406346378,0.2717043040230279
EOS-2-17763,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)cc1,XEXIVSZJJQZTCF-UHFFFAOYSA-N,2,1,0.552,17,960,463.457,4.608,6,0.335,0.7,1.0,0.4805530806661641,0.33592625591117814,0.5452162291823727,0.462476869302995,0.45604310876567744
EOS-2-17764,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2)cc1,UKNTUEXSHUGIJU-UHFFFAOYSA-N,2,1,0.576,17,960,463.457,4.608,6,0.335,0.67,1.0,0.4519052840792269,0.3218936330614762,0.5350558563498047,0.4686707559454458,0.4443813823589884
EOS-2-17765,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cccnc3Oc3ccccc3)n12,YXZMLTFMILVZCO-UHFFFAOYSA-N,2,1,0.351,30,960,463.457,4.704,6,0.347,0.6,1.0,0.3053337673908574,0.10862003975053115,0.4761496813103968,0.37737303817421697,0.31686913165650055
EOS-2-17766,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)cc2)cc1,FVEVTFPHPNAKCJ-UHFFFAOYSA-N,2,1,0.461,17,410,463.457,4.608,6,0.335,0.75,1.0,0.4519138510040436,0.23463950380371462,0.5385168939757384,0.477717428551847,0.4256969193338359
EOS-2-17767,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cc1,NSGKDIJGBNHQMD-UHFFFAOYSA-N,2,1,0.529,77,960,463.457,4.608,6,0.335,0.66,1.0,0.6217788362689329,0.3359348228359948,0.5584178603248577,0.45298471660612705,0.49227905900897817
EOS-2-17768,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2)cc1,YXEZCQHYQXZQKL-UHFFFAOYSA-N,2,1,0.511,12,285,463.457,4.188,6,0.387,0.59,1.0,0.4287831539990405,0.38909259132341856,0.5846326502638612,0.5226595161400863,0.4812919779316016
EOS-2-17769,c1cc(COc2cncc3nnc(-c4ccc(Oc5ccncc5)cc4)n23)cc(-c2nnco2)c1,PFUYLXKTYPHJCZ-UHFFFAOYSA-N,2,1,0.547,77,323,463.457,4.608,6,0.335,0.66,1.0,0.6135288876704817,0.43550818998012475,0.642690699746419,0.5493540538688233,0.5602704578164622
EOS-2-17770,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5noc(-c6ccncc6)n5)n34)cc2)cc1,DKDWNORKRUGBBQ-UHFFFAOYSA-N,2,1,0.5,17,960,463.457,4.608,6,0.335,0.75,1.0,0.4193595367007059,0.32190219998629294,0.39377869919813585,0.37064800219313276,0.3764221095195669
EOS-2-17771,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)no1,LYNVPWCLWLCJIT-UHFFFAOYSA-N,2,1,0.482,40,857,463.461,3.581,6,0.361,0.7,1.0,0.4494894112809266,0.4079740936193544,0.09266842574189568,0.12802412446028374,0.2695390137756151
EOS-2-17772,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)ccn2)o1,IQWHLOMNKPHFSM-UHFFFAOYSA-N,2,1,0.483,40,2,463.461,3.581,6,0.361,0.66,1.0,0.4930093893495991,0.32636556781577686,0.25685353985333426,0.2060859433897608,0.32057861010211774
EOS-2-17773,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccncn6)no5)n34)cc2)n1,NSZGPCFJSHHCQA-UHFFFAOYSA-N,2,1,0.489,40,355,463.461,3.581,6,0.361,0.62,1.0,0.6022719484613803,0.3891011582482352,0.28646939894455486,0.22321979302309644,0.3752655746693167
EOS-2-17774,c1ncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(-c6nnco6)cc5)nc4)n23)cn1,SJMABHZNRFGBBT-UHFFFAOYSA-N,2,1,0.465,40,2,463.461,3.315,6,0.347,0.63,1.0,0.6106589678568981,0.439654581591392,0.3156226440956754,0.27666027002947025,0.4106491158933589
EOS-2-17775,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccnnc6)cn5)n34)cc2)n1,RJHCWCZBGFNLJW-UHFFFAOYSA-N,2,1,0.506,40,25,463.461,3.581,6,0.361,0.6,1.0,0.41025289562058803,0.3263741347405935,0.3265454732369269,0.2466931670207662,0.3274664176547186
EOS-2-17776,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cccnc6)cn5)n34)cc2)o1,FLHAZFDMKQCUIR-UHFFFAOYSA-N,2,1,0.467,40,25,463.461,3.581,6,0.361,0.74,1.0,0.43095058597765745,0.35066136659584674,0.23189808786238092,0.18088205057912413,0.2985980227537523
EOS-2-17777,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)nc5)n34)cc2)o1,SUFDVFCMFKSNEM-UHFFFAOYSA-N,2,1,0.56,40,2,463.461,3.581,6,0.361,0.67,1.0,0.5440082927832225,0.31691624974299226,0.27127167431978616,0.19998629292029332,0.33304562744157357
EOS-2-17778,Cc1noc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)c2)n1,JCMGLIHJTJKJQM-UHFFFAOYSA-N,2,1,0.455,28,414,463.461,3.581,6,0.361,0.61,1.0,0.3379052155438284,0.25017133849633333,0.1452779110410527,0.10978514152559797,0.2107849016517031
EOS-2-17779,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)no1,HUVPZLZODYWAMW-UHFFFAOYSA-N,2,1,0.506,40,355,463.461,3.581,6,0.361,0.7,1.0,0.42166403947638953,0.3603848262627647,0.15152319923240354,0.13900692207525187,0.2681447467617024
EOS-2-17780,Cc1cnc(-c2ncccc2-c2nnc3cncc(OCc4ccc(-c5cnco5)nc4)n23)nc1,HZLYTFLYSZAIKY-UHFFFAOYSA-N,2,1,0.489,80,34,463.461,3.581,6,0.361,0.65,0.998,0.47326262764717975,0.2247961071893633,0.1932355561647591,0.15130902611198685,0.2606508292783222
EOS-2-17781,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cc2)o1,JJRDCWWNKBOUPL-UHFFFAOYSA-N,2,1,0.489,81,609,463.461,3.581,6,0.361,0.68,1.0,0.40357069426358716,0.34601809334521283,0.20367863751627716,0.15915632924405457,0.27810593859228294
EOS-2-17782,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cnccn6)c5)n34)cc2)o1,QHDZJFQIPZKPES-UHFFFAOYSA-N,2,1,0.523,40,2,463.461,3.581,6,0.361,0.63,1.0,0.602280515386197,0.38910972517305187,0.3374426016037283,0.2560139812213008,0.39621170584606946
EOS-2-17783,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnccn6)cn5)n34)cc2)o1,SYRGSHJEHVFOKV-UHFFFAOYSA-N,2,1,0.494,80,355,463.461,3.581,6,0.361,0.61,1.0,0.48056164759098075,0.3891182920978685,0.2864779658693715,0.20888732780481117,0.34126130834075796
EOS-2-17784,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)o1,OLSWRSQVSHQVIM-UHFFFAOYSA-N,2,1,0.482,40,621,463.461,3.581,6,0.361,0.68,1.0,0.5465612363785896,0.4127630045918717,0.3302463847577274,0.24400315262833253,0.38339344458913033
EOS-2-17785,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)ccn2)no1,GEEAPAMYKGQTJB-UHFFFAOYSA-N,2,1,0.457,80,868,463.461,3.581,6,0.361,0.73,1.0,0.4239085737783565,0.2863237612226715,0.28290555822082103,0.2467017339455829,0.309959906791858
EOS-2-17786,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)cn5)n34)cn2)nn1,OLTAYZKBPWJRDM-UHFFFAOYSA-N,2,1,0.489,6,297,463.461,3.581,6,0.361,0.62,1.0,0.4079569597697211,0.33106880954012746,0.2712802412446028,0.20307895277911042,0.30334624083339046
EOS-2-17787,O=c1cccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1-c1ccccc1,FZJCKFVTXFSWGI-UHFFFAOYSA-N,2,1,0.398,28,363,463.461,2.701,6,0.399,0.52,1.0,0.3026180522239737,0.20462956617092729,0.25352100609965045,0.24671030087039955,0.25186973134123775
EOS-2-17788,Cc1ccnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cocn6)nc5)n34)n2)n1,OEGJWISFAQMFHE-UHFFFAOYSA-N,2,1,0.458,28,297,463.461,3.581,6,0.361,0.64,1.0,0.41936810362552257,0.3169248166678089,0.180008224247824,0.13241038996641766,0.2621778836268933
EOS-2-17789,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)c2)no1,YNVBCGDUABTGDR-UHFFFAOYSA-N,2,1,0.479,40,857,463.461,3.581,6,0.361,0.71,1.0,0.3181327530669591,0.2707833596052361,0.13624837228428482,0.10533890754574737,0.20762584812555684
EOS-2-17790,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)no1,VFZOUCDQJPNCCQ-UHFFFAOYSA-N,2,1,0.585,40,8,463.461,3.581,6,0.361,0.65,1.0,0.5413525460900556,0.35066993352066345,0.19324412308957575,0.1463744774175862,0.30791027002947025
EOS-2-17791,Cc1ccc(-c2nnc3cncc(-c4cc(-c5nnc(C)o5)cnn4)n23)c(Oc2ccccc2)n1,AHQKNKTXOXCCFZ-UHFFFAOYSA-N,2,1,0.34,30,541,463.461,4.102,6,0.368,0.65,1.0,0.20802206839832774,0.11184120348159825,0.1483106024261531,0.1280326913851004,0.14905164142279487
EOS-2-17792,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnc(C)o6)cc5)n34)cn2)nn1,BTPLVQGGLJZQMJ-UHFFFAOYSA-N,2,1,0.435,81,424,463.461,4.102,6,0.368,0.65,1.0,0.4351226783633747,0.3603933931875814,0.22824001096566376,0.1643307518333219,0.29702170858748544
EOS-2-17793,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2)nn1,HZBJIHQFSLJTAG-UHFFFAOYSA-N,2,1,0.512,77,245,463.461,3.581,6,0.361,0.62,1.0,0.6815417037900076,0.40798266054417104,0.34486155849496264,0.2766688369542869,0.427763689945857
EOS-2-17794,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)cn5)n34)cc2)nn1,UFAFLOZMPZVVFJ-UHFFFAOYSA-N,2,1,0.511,40,25,463.461,3.581,6,0.361,0.64,1.0,0.43513124528819136,0.3556644506887808,0.28291412514563774,0.22045267630731272,0.32354062435748066
EOS-2-17795,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccccn6)cn5)n34)cc2)o1,ZUFHMQWUTMEVPN-UHFFFAOYSA-N,2,1,0.447,40,59,463.461,3.581,6,0.361,0.73,1.0,0.4470478377081763,0.3936501953258858,0.1768898636145569,0.13901548900006855,0.28915084641217187
EOS-2-17796,Cc1ocnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cn1,GEEKKYMHNJBMGI-UHFFFAOYSA-N,2,1,0.523,40,2,463.461,3.581,6,0.361,0.62,1.0,0.5567216092111575,0.28633232814748816,0.31934925639092593,0.24671886779521623,0.352280515386197
EOS-2-17797,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cccnn6)o5)n34)nc2)n1,VBRYNZPDZUJAHW-UHFFFAOYSA-N,2,1,0.406,6,984,463.461,3.581,6,0.361,0.57,1.0,0.3205143581659927,0.24024227263381537,0.1898259200877253,0.1513175930368035,0.22547503598108423
EOS-2-17798,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cn5)n34)cc2)o1,YBXXBGPMSQKBQV-UHFFFAOYSA-N,2,1,0.506,40,868,463.461,3.581,6,0.361,0.67,1.0,0.40575526009183743,0.33594338976081145,0.32288739634020974,0.2440117195531492,0.327149441436502
EOS-2-17799,c1cnnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(-c6nnco6)cc5)cn4)n23)c1,VOSLPUKLABXSKG-UHFFFAOYSA-N,2,1,0.415,81,117,463.461,3.315,6,0.347,0.61,1.0,0.41466486190117197,0.3015557535467069,0.23190665478719757,0.2262353505585635,0.29359065519841
EOS-2-17800,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6nnco6)n5)n34)cc2)cn1,QCRJYQGBTNAZMB-UHFFFAOYSA-N,2,1,0.457,40,59,463.461,3.581,6,0.361,0.67,1.0,0.5054828318826674,0.35567301761359743,0.23918854088136524,0.19999485984511,0.325084812555685
EOS-2-17801,Cc1onnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc1,OPIDANNEMNTFDB-UHFFFAOYSA-N,2,1,0.463,40,868,463.461,3.581,6,0.361,0.66,1.0,0.30534233431567404,0.27601775066822015,0.26403262284970186,0.2176427249674457,0.26575885820026046
EOS-2-17802,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)no1,NWEBXTVIOSEUSY-UHFFFAOYSA-N,2,1,0.467,28,414,463.461,3.581,6,0.361,0.67,1.0,0.370176821328216,0.3506785004454801,0.15761428277705436,0.1344493180727846,0.2532297306558838
EOS-2-17803,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnco6)cn5)n34)cn2)cnn1,AZUPGLWAUFHMOV-UHFFFAOYSA-N,2,1,0.473,6,280,463.461,3.581,6,0.361,0.63,1.0,0.3563498046741142,0.2916952230827222,0.352666027002947,0.2680505105887191,0.31719039133712557
EOS-2-17804,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)cn2)o1,BCOSIKMTHUIIGC-UHFFFAOYSA-N,2,1,0.478,28,297,463.461,3.581,6,0.361,0.73,1.0,0.3355578781440614,0.2760263175930368,0.1394267013912686,0.11233808512096498,0.21583724556233294
EOS-2-17805,Cc1nnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)o1,TUBFDUBZAKPTKC-UHFFFAOYSA-N,2,1,0.443,28,363,463.461,3.581,6,0.361,0.73,1.0,0.34505003084092933,0.2917037900075389,0.09995031183606333,0.10335138098828045,0.210013878418203
EOS-2-17806,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1,VSGCOVBFELBXHL-UHFFFAOYSA-N,2,1,0.452,56,621,463.465,2.413,6,0.362,0.66,1.0,0.4904564457542321,0.2655147008429854,0.16404804331437187,0.1324189568912343,0.2631095367007059
EOS-2-17807,Cn1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nc1-c1cccnn1,XNEDYWQWOYLXGR-UHFFFAOYSA-N,2,1,0.426,6,826,463.465,2.413,6,0.362,0.57,1.0,0.23559043245836475,0.13143376053731753,0.03126070865602083,0.034987320951271335,0.10831805565074361
EOS-2-17808,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccncn5)cn4)n23)cn1,OWLRUHLIIJMUMG-UHFFFAOYSA-N,2,1,0.371,80,855,463.465,2.413,6,0.362,0.64,1.0,0.45642005345761083,0.2809008978137208,0.11037625933794805,0.07878144061407717,0.23161966280583923
EOS-2-17809,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,WNKSFWWVOKRTHL-UHFFFAOYSA-N,2,1,0.426,56,350,463.465,2.413,6,0.362,0.66,1.0,0.3817507367555342,0.2194503461037626,0.16714070317318896,0.1366338839010349,0.22624391748338019
EOS-2-17810,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)ccn2)cn1,VMJROWWNQARDMZ-UHFFFAOYSA-N,2,1,0.441,6,597,463.465,2.506,6,0.362,0.62,1.0,0.2272462476869303,0.13881844972928517,0.1052275375231307,0.07879000753889384,0.13752056061956
EOS-2-17811,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5ccccn5)n4)n23)cc1,UFUBTJJYZAMNBB-UHFFFAOYSA-N,2,1,0.462,56,428,463.465,2.413,6,0.362,0.72,1.0,0.4494979782057433,0.26552326776780205,0.06777294222465903,0.06571688026865877,0.21212776711671577
EOS-2-17812,Cn1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)n2)n1,FAMTWVGCWPFBKQ-UHFFFAOYSA-N,2,1,0.361,71,826,463.465,2.413,6,0.362,0.61,0.422,0.32288739634020974,0.12116201768213282,0.07428380508532657,0.07879857446371051,0.14928294839284492
EOS-2-17813,CCOc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccnnc6)nc5)n34)cn2)n1,QUMZEFRAHHMGSS-UHFFFAOYSA-N,2,1,0.281,86,780,463.465,2.685,6,0.363,0.66,1.0,0.07170516071550956,0.09874237543691317,0.12456308683434994,0.0912034815982455,0.09655352614625454
EOS-2-17814,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cccnc6)nn5)n34)cn2)cn1,MKICZCWFGQNESG-UHFFFAOYSA-N,2,1,0.429,80,843,463.465,2.413,6,0.362,0.63,1.0,0.2780995133986704,0.21440442738674526,0.12721883352751695,0.10335994791309712,0.1807706805565074
EOS-2-17815,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cc2)n1,ZGXULAKUMBXHNI-UHFFFAOYSA-N,2,1,0.511,56,415,463.465,2.413,6,0.362,0.66,1.0,0.38417517647865124,0.22480467411417998,0.07861866904256049,0.061065040093208144,0.18716588993214997
EOS-2-17816,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)nn1,IAGPFJBEFHTBEQ-UHFFFAOYSA-N,2,1,0.416,67,789,463.465,2.935,6,0.375,0.72,1.0,0.3587999451716812,0.20953841409087795,0.13025152491261738,0.10336851483791379,0.20048959975327257
EOS-2-17817,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)nn1,QXZBGCXAOMEYQP-UHFFFAOYSA-N,2,1,0.389,6,826,463.465,2.413,6,0.362,0.57,1.0,0.19963504900280996,0.13507470358440135,0.06375505448564184,0.08381879240627785,0.12057089986978275
EOS-2-17818,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnccn6)n5)n34)cc2)n1,GMGLKKRWQYXKLM-UHFFFAOYSA-N,2,1,0.5,56,415,463.465,2.413,6,0.362,0.64,1.0,0.3701853882530327,0.2144129943115619,0.11038482626276472,0.0892330888904119,0.1960540744294428
EOS-2-17819,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nc4)n23)nc1,MNTUEFOSYPOJDT-UHFFFAOYSA-N,2,1,0.415,6,843,463.465,2.413,6,0.362,0.61,0.976,0.2596806250428346,0.11184977040641492,0.21407888424371188,0.1618891782605716,0.18687461448838324
EOS-2-17820,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)nc5)n34)cc2)n1,DWODTDGIETUGAY-UHFFFAOYSA-N,2,1,0.541,56,415,463.465,2.413,6,0.362,0.68,1.0,0.5180505105887191,0.23464807072853128,0.11039339318758139,0.08548934274552807,0.23714532931258997
EOS-2-17821,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cnn1,YBFHXPQMTWFKRH-UHFFFAOYSA-N,2,1,0.381,80,34,463.465,2.413,6,0.362,0.61,0.986,0.412394626824755,0.15769138510040437,0.12722740045233363,0.10116681516003015,0.19962005688438078
EOS-2-17822,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)nn2)cn1,AGAYJURXMXCKHG-UHFFFAOYSA-N,2,1,0.389,6,549,463.465,2.413,6,0.362,0.64,0.889,0.21896203138921252,0.12117058460694949,0.1608782811322048,0.12591666095538345,0.15673188952093756
EOS-2-17823,Cc1ncnc(-c2ccccn2)c1-c1nnc2cncc(OCc3ccc(-n4ccnn4)cn3)n12,DNBOBMZQHJLKCT-UHFFFAOYSA-N,2,1,0.505,6,843,463.465,2.506,6,0.362,0.57,1.0,0.0985453361661298,0.12482009457884997,0.08328764306764444,0.0710026728805428,0.09441393667329175
EOS-2-17824,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1,PQYFRRJYJIIZAC-UHFFFAOYSA-N,2,1,0.522,81,609,463.465,2.413,6,0.362,0.59,1.0,0.340338222191762,0.2144215612363786,0.09995887876088,0.0970289904735796,0.18793691316565006
EOS-2-17825,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)cn2)cn1,OLDNHJURRHMCRU-UHFFFAOYSA-N,2,1,0.398,6,816,463.465,2.413,6,0.362,0.63,1.0,0.3610102117743815,0.21443012816119525,0.16714927009800562,0.12154752929888288,0.21603428483311632
EOS-2-17826,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)nn1,BMTGUJJXSXZLGR-UHFFFAOYSA-N,2,1,0.422,80,197,463.465,2.413,6,0.362,0.64,1.0,0.33791378246864506,0.2602203413062847,0.14831916935096978,0.12155609622369955,0.2170023473373998
EOS-2-17827,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nn2)nc1CO,ZNGSFRJCHATMMO-UHFFFAOYSA-N,2,1,0.288,98,63,463.465,1.993,6,0.403,0.63,0.379,0.14661435131245287,0.11779521622918238,0.06184463025152491,0.08032348708107738,0.10164442121855939
EOS-2-17828,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)n1,OAOZLVSZFUMHED-UHFFFAOYSA-N,2,1,0.484,56,415,463.465,2.413,6,0.362,0.72,1.0,0.34034678911657873,0.23465663765334796,0.11622746898773216,0.1215646631485162,0.20319888972654376
EOS-2-17829,COc1cc(-c2nn[nH]n2)ncc1-c1cncc2nnc(-c3ccc(-c4cnc(C)nc4)cc3)n12,KAGPIJRQWOLCKW-UHFFFAOYSA-N,2,1,0.322,42,725,463.465,2.807,6,0.405,0.63,1.0,0.19393804399972586,0.11780378315399904,0.23191522171201426,0.1697878829415393,0.1783612329518196
EOS-2-17830,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nn4)n23)cn1,RGYCVFUOZAECFR-UHFFFAOYSA-N,2,1,0.415,80,277,463.465,2.413,6,0.362,0.64,1.0,0.37019395517784937,0.18668185868000822,0.14528647796586938,0.10979370845041464,0.20298900006853537
EOS-2-17831,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cn2)cn1,CFJPDDSPRDLIDM-UHFFFAOYSA-N,2,1,0.374,80,350,463.465,2.413,6,0.362,0.61,1.0,0.2920207662257556,0.20463813309574394,0.21086628743746144,0.15373346583510383,0.2153146631485162
EOS-2-17832,Cn1nc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,ILMBERIOIPBQDL-UHFFFAOYSA-N,2,1,0.4,6,843,463.465,2.413,6,0.362,0.63,0.973,0.39299910903981905,0.2917123569323556,0.04062435748063875,0.045730244671372766,0.19276651703104655
EOS-2-17833,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnccn5)n4)n23)nc1,VLMHMCBBPPKHDL-UHFFFAOYSA-N,2,1,0.4,80,34,463.465,2.413,6,0.362,0.68,0.936,0.3426255911178123,0.15405044205332055,0.11902885340278253,0.08736549928037832,0.17576759646357343
EOS-2-17834,Cc1ncncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nn4)n23)c1,IUJWHMJEEDAYFE-UHFFFAOYSA-N,2,1,0.34,6,843,463.465,2.506,6,0.362,0.69,0.43,0.1497498457953533,0.0795438969227606,0.12457165375916661,0.095007196216846,0.11221814817353164
EOS-2-17835,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnnc5)cn4)n23)cn1,ULDCYUIEOBIHDS-UHFFFAOYSA-N,2,1,0.368,80,855,463.465,2.413,6,0.362,0.64,1.0,0.39936433417860323,0.24025083955863202,0.13943526831608527,0.10117538208484682,0.22005645603454185
EOS-2-17836,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cn1,HGZZVXHAIKQOSK-UHFFFAOYSA-N,2,1,0.374,80,816,463.465,2.413,6,0.362,0.65,1.0,0.3656877527242821,0.21945891302857926,0.189834487012542,0.1413371256253855,0.2290795695976972
EOS-2-17837,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnccn6)n5)n34)cc2)n1,ALXAQZAMORCCAB-UHFFFAOYSA-N,2,1,0.451,80,277,463.465,2.413,6,0.362,0.57,1.0,0.37487149612775,0.21946747995339594,0.1272359673771503,0.09501576314166267,0.20414767664998973
EOS-2-17838,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1,BPKOCLPNNIFOLA-UHFFFAOYSA-N,2,1,0.452,56,621,463.465,2.413,6,0.362,0.67,1.0,0.43297238023439105,0.21443869508601193,0.15762284970187102,0.12384346514974985,0.23221934754300597
EOS-2-17839,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,MPTTTWQXXSWJTK-UHFFFAOYSA-N,2,1,0.489,56,868,463.465,2.413,6,0.362,0.59,1.0,0.47829997943938046,0.2194760468782126,0.20022616681516003,0.1944263587142759,0.27310713796175723
EOS-2-17840,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)cn5)n34)cc2)n[nH]1,UZPQQVDRUNCBQU-UHFFFAOYSA-N,2,1,0.414,71,415,463.465,2.711,6,0.391,0.56,1.0,0.47574703584401346,0.35068706737029676,0.20368720444109384,0.16189774518538824,0.2980047632101981
EOS-2-17841,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)nn1,HWUCQXPJQOUHPY-UHFFFAOYSA-N,2,1,0.432,6,843,463.465,2.413,6,0.362,0.59,1.0,0.2108491535878281,0.10862860667534782,0.09267699266671235,0.08549790967034473,0.12441316565005825
EOS-2-17842,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cnn1,ALGQGQVTXWWOAK-UHFFFAOYSA-N,2,1,0.402,6,843,463.465,2.413,6,0.362,0.6,0.996,0.4309591529024741,0.21948461380302928,0.1190374203275992,0.10980227537523131,0.2198208656020835
EOS-2-17843,COc1nc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4n[nH]c(C)n4)cc3)n12,COFMZVQAIJKZIS-UHFFFAOYSA-N,2,1,0.304,98,882,463.465,2.807,6,0.405,0.63,1.0,0.28646939894455486,0.12834110067850044,0.13313001165101776,0.08924165581522857,0.1592955417723254
EOS-2-17844,Cn1cnc(-c2cnccn2)c1COc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,HYZGMCZKUOMHNV-UHFFFAOYSA-N,2,1,0.418,80,277,463.465,2.413,6,0.362,0.54,1.0,0.4146734288259886,0.3067130422863409,0.09736310054142965,0.08033205400589405,0.22477040641491328
EOS-2-17845,c1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncc(-c6nn[nH]n6)c5)nc4)n23)nc1,FBULXLNHHLWHJI-UHFFFAOYSA-N,2,1,0.516,87,307,463.465,2.445,6,0.374,0.66,1.0,0.5361695565759715,0.4746676033171133,0.15441025289562058,0.14372729764923584,0.3272436776094853
EOS-2-17846,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nc2)nn1,WCOBLCUPHPJENM-UHFFFAOYSA-N,2,1,0.422,56,621,463.465,2.413,6,0.362,0.68,1.0,0.35635837159893086,0.26553183469261876,0.18329792337742443,0.1537420327599205,0.23973254060722365
EOS-2-17847,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)cc2)n1,HZAIYLMKJHELTA-UHFFFAOYSA-N,2,1,0.495,56,415,463.465,2.413,6,0.362,0.63,1.0,0.3563669385237475,0.22481324103899664,0.13944383524090193,0.11465972174628196,0.20882093413748198
EOS-2-17848,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cc2)n1,FREICAWIPBRWBZ-UHFFFAOYSA-N,2,1,0.441,56,350,463.465,2.413,6,0.362,0.67,1.0,0.3632119114522651,0.2707919265300528,0.16088684805702144,0.12157323007333287,0.22911597902816805
EOS-2-17849,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cn1,YSJFMYSBNKFESF-UHFFFAOYSA-N,2,1,0.402,80,816,463.465,2.413,6,0.362,0.64,1.0,0.36101877869919813,0.20464670002056062,0.18001679117264066,0.12592522788020014,0.2179018744431499
EOS-2-17850,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncccn5)n4)n23)cn1,AZZRFFHAAZSAMC-UHFFFAOYSA-N,2,1,0.453,80,34,463.465,2.413,6,0.362,0.66,1.0,0.36569631964909877,0.24534815982454938,0.05602768830100747,0.03941642108148859,0.17662214721403605
EOS-2-17851,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nn1,AMLIKNWTVQXLHK-UHFFFAOYSA-N,2,1,0.432,81,826,463.465,2.413,6,0.362,0.67,1.0,0.31814131999177575,0.20465526694537728,0.05603625522582414,0.07496915907066,0.1634505003084093
EOS-2-17852,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4cnc(-c5cnccn5)nc4)n23)nc1,FYYIWMYKRJYQJJ-UHFFFAOYSA-N,2,1,0.441,80,277,463.465,2.506,6,0.362,0.57,1.0,0.2809780001370708,0.12482866150366664,0.12724453430196697,0.08207970666849428,0.15378272565279968
EOS-2-17853,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cn2)cn1,NCBBHWUDSTYZDJ-UHFFFAOYSA-N,2,1,0.384,6,816,463.465,2.413,6,0.362,0.62,1.0,0.31318963744774175,0.1866904256048249,0.15763141662668767,0.12385203207456652,0.1953408779384552
EOS-2-17854,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncccn6)n5)n34)cn2)cn1,YCCPRHXTKQDLSS-UHFFFAOYSA-N,2,1,0.382,80,34,463.465,2.413,6,0.362,0.63,1.0,0.28929648413405523,0.21949318072784593,0.11623603591254883,0.0855064765951614,0.17763304434240285
EOS-2-17855,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1,UUVPTXCILBOOMT-UHFFFAOYSA-N,2,1,0.446,56,350,463.465,2.413,6,0.362,0.68,1.0,0.4102614625454047,0.2195017476526626,0.17372010143238983,0.13664245082585155,0.23503144061407716
EOS-2-17856,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnccn5)n4)n23)cc1,CMAJSFQYIQNVIV-UHFFFAOYSA-N,2,1,0.418,56,428,463.465,2.413,6,0.362,0.63,1.0,0.4680796381330957,0.2402594064834487,0.09996744568569667,0.08382735933109452,0.2230334624083339
EOS-2-17857,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cc2)n1,IDUJDLSRAHHUEZ-UHFFFAOYSA-N,2,1,0.412,56,350,463.465,2.413,6,0.362,0.65,1.0,0.39300767596463576,0.24026797340826536,0.19325269001439244,0.14638304434240285,0.24322784593242408
EOS-2-17858,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,NKYBPKPMTKWJED-UHFFFAOYSA-N,2,1,0.463,6,843,463.465,2.413,6,0.362,0.62,1.0,0.33070899869782744,0.22482180796381332,0.07633130011651018,0.08034062093071072,0.1780506819272154
EOS-2-17859,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccccn6)n5)n34)cn2)n1,KSQKSMKIZAQGME-UHFFFAOYSA-N,2,1,0.427,80,843,463.465,2.413,6,0.362,0.62,1.0,0.345058597765746,0.21951031457747927,0.07633986704132685,0.06107360701802481,0.17549559660064423
EOS-2-17860,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nc1,WTQUUODLXWAUAQ-UHFFFAOYSA-N,2,1,0.449,80,34,463.465,2.506,6,0.362,0.64,1.0,0.1605527379891714,0.15769995202522102,0.09737166746624631,0.07101123980535946,0.12165889932149955
EOS-2-17861,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)cc1,UNXJZQBBJMHCGM-UHFFFAOYSA-N,2,1,0.511,71,415,463.465,2.413,6,0.362,0.68,1.0,0.3450671646905627,0.21951888150229593,0.11316050990336508,0.11234665204578165,0.19752330203550136
EOS-2-17862,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnc5)n4)n23)cc1,UYXYVCQCORWOOU-UHFFFAOYSA-N,2,1,0.473,56,415,463.465,2.413,6,0.362,0.65,1.0,0.4329809471592077,0.26022890823110134,0.12725310122678363,0.10118394900966349,0.23041172640668905
EOS-2-17863,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cn1,LSJWXDGRDJXUFD-UHFFFAOYSA-N,2,1,0.379,80,816,463.465,2.413,6,0.362,0.64,1.0,0.3657048865739154,0.22984202590638064,0.1362569392091015,0.10337708176273044,0.20879523336303202
EOS-2-17864,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nn5)n34)cc2)n1,VJKBJTGTXPDUOY-UHFFFAOYSA-N,2,1,0.494,71,415,463.465,2.413,6,0.362,0.69,1.0,0.3772873689260503,0.23466520457816462,0.11316907682818175,0.10119251593448016,0.20657854156671923
EOS-2-17865,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)nn5)n34)cn2)n1,MEOFBNPUESMOCT-UHFFFAOYSA-N,2,1,0.419,6,843,463.465,2.413,6,0.362,0.53,1.0,0.3472945651428963,0.2195274484271126,0.12458022068398328,0.09307107120827908,0.19611832636556784
EOS-2-17866,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)cn1,PWVHMDPVLRWXEB-UHFFFAOYSA-N,2,1,0.435,80,277,463.465,2.413,6,0.362,0.56,1.0,0.4146819957508053,0.25017990542115004,0.11040196011239806,0.08208827359331095,0.2143380337194161
EOS-2-17867,Cn1cnc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)c2)n1,RBWLGYPSVQFMOI-UHFFFAOYSA-N,2,1,0.441,80,868,463.465,2.413,6,0.362,0.64,1.0,0.27531526283325336,0.18231272702350765,0.14832773627578644,0.11235521897059832,0.17957773627578644
EOS-2-17868,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cccnn6)n5)n34)cn2)cn1,KRVVMYTWORDIRE-UHFFFAOYSA-N,2,1,0.434,6,843,463.465,2.413,6,0.362,0.63,1.0,0.2703550133644027,0.2095469810156946,0.12458878760879995,0.09121204852306217,0.17392570762798987
EOS-2-17869,N=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2)n[nH]1,YRVCJIHULOVRKL-UHFFFAOYSA-N,2,1,0.426,81,932,463.465,2.216,6,0.382,0.68,0.998,0.3657134534987321,0.2501884723459667,0.18984305393735865,0.14861901171955316,0.23859099787540264
EOS-2-17870,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cc1,YLPRRHKTTKMSJW-UHFFFAOYSA-N,2,1,0.528,56,415,463.465,2.413,6,0.362,0.68,1.0,0.35637550544856417,0.21953601535192926,0.07634843396614352,0.06917791789459256,0.1803594681653074
EOS-2-17871,Cn1nncc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1,MDISKXVIFBXFBX-UHFFFAOYSA-N,2,1,0.462,56,8,463.465,2.413,6,0.362,0.62,1.0,0.372472757179083,0.20003769446919334,0.11904598725241587,0.09502433006647934,0.19664519224179292
EOS-2-17872,N=c1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-n6cncn6)cc5)n34)c2)c[nH]1,BDPCVGZMTSAGTI-UHFFFAOYSA-N,2,1,0.352,6,160,463.465,2.216,6,0.382,0.63,1.0,0.3657220204235488,0.12483722842848331,0.337451168528545,0.24402028647796586,0.26800767596463576
EOS-2-17873,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccccn6)n5)n34)cc2)n1,VVVSQFJOYZGUBN-UHFFFAOYSA-N,2,1,0.539,56,415,463.465,2.413,6,0.362,0.65,1.0,0.39077170858748544,0.24027654033308204,0.0721763415804263,0.057972380234391066,0.19029924268384624
EOS-2-17874,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc(-n2ccnc2)n1,POUCCPHSAZFJOE-UHFFFAOYSA-N,2,1,0.409,56,8,463.465,2.506,6,0.362,0.59,1.0,0.4239171407031732,0.25019703927078335,0.056044822150640806,0.03807998081008841,0.19205974573367143
EOS-2-17875,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nn4)n23)cc1,CSBSQKFUCMCZEI-UHFFFAOYSA-N,2,1,0.462,71,415,463.465,2.413,6,0.362,0.64,1.0,0.41469056267562193,0.22985059283119733,0.16405661023918855,0.13445788499760125,0.23576391268590224
EOS-2-17876,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)n4)n23)cc1,XOURRUXGSKWCBP-UHFFFAOYSA-N,2,1,0.464,71,415,463.465,2.413,6,0.362,0.61,1.0,0.32052292509080943,0.1823212939483243,0.1162446028373655,0.09910218627921322,0.17954775203892812
EOS-2-17877,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncccn5)c4)n23)cn1,CDGVSLOGNCVKEG-UHFFFAOYSA-N,2,1,0.421,80,34,463.465,2.413,6,0.362,0.64,0.96,0.4377869919813584,0.2502056061956,0.09738023439106298,0.07296449866355972,0.21458433280789527
EOS-2-17878,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nccnn5)n4)n23)cn1,UAJHHTDGWCXRHR-UHFFFAOYSA-N,2,1,0.433,80,34,463.465,2.413,6,0.362,0.62,1.0,0.3563840723733809,0.2346737715029813,0.08329620999246111,0.06399492838050853,0.18458724556233297
EOS-2-17879,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ncccn6)n5)n34)cc2)n1,WOKBAWDPHOANST-UHFFFAOYSA-N,2,1,0.494,56,8,463.465,2.413,6,0.362,0.57,1.0,0.39937290110341994,0.27603488451785346,0.0677815091494757,0.04845452676307313,0.19791095538345557
EOS-2-17880,Fc1cc(-n2cccc2)ccc1COc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,CKVCTDROUBWVMU-UHFFFAOYSA-N,2,1,0.5,41,603,463.476,4.757,6,0.354,0.63,1.0,0.7147899390034953,0.60047289424988,0.8409464738537454,0.8067730107600576,0.7407455794667945
EOS-2-17881,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cc1,JQRJPGTYFBSIMI-UHFFFAOYSA-N,2,1,0.523,77,427,463.476,4.757,6,0.354,0.79,1.0,0.4805702145157974,0.4440922486464259,0.7627304502775684,0.7499400315262833,0.6093332362415188
EOS-2-17882,Cn1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c(F)c2)n1,LJJMAABBYIFOSA-UHFFFAOYSA-N,2,1,0.366,30,737,463.476,5.185,6,0.35,0.76,1.0,0.40796552669453773,0.4485556164759098,0.7579843739291344,0.7342796929614146,0.5871963025152491
EOS-2-17883,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1-n1cccc1,QPXJIWAYUNXJEI-UHFFFAOYSA-N,2,1,0.478,28,363,463.476,4.757,6,0.354,0.63,1.0,0.43779555890617505,0.4879977383318484,0.6187718456582825,0.6180436570488658,0.5406521999862929
EOS-2-17884,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)nc1,PCALNTCCZPCZOR-UHFFFAOYSA-N,2,1,0.556,77,603,463.476,4.757,6,0.354,0.72,1.0,0.8263655678157769,0.5616904256048249,0.7651805907751353,0.7209581248714961,0.7185486772668084
EOS-2-17885,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cc1,JKNPZJOVBQABKU-UHFFFAOYSA-N,2,1,0.558,77,427,463.476,4.962,6,0.375,0.71,1.0,0.9179631279555891,0.7656346377904187,0.8294410938249606,0.8067815776848742,0.8299551093139605
EOS-2-17886,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1,HZXQNNPUNBAXGI-UHFFFAOYSA-N,2,1,0.545,77,427,463.476,4.962,6,0.375,0.67,1.0,0.9220067164690563,0.826879583304777,0.7938883558357892,0.780044205332054,0.830704715235419
EOS-2-17887,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)nc2)c1,FQVWFGIQCMLEGZ-UHFFFAOYSA-N,2,1,0.441,77,177,463.476,4.757,6,0.354,0.84,1.0,0.3817593036803509,0.3169333835926256,0.7876430676444384,0.7775083955863203,0.5659610376259337
EOS-2-17888,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccnc5-n5cccc5)n34)c2)cc1,UOEWHUJPKPUUIH-UHFFFAOYSA-N,2,1,0.5,41,78,463.476,4.757,6,0.354,0.65,1.0,0.46580083613186213,0.48800630525666505,0.7364728257144816,0.7342882598862313,0.6061420567473099
EOS-2-17889,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)nc1,NNOULASQOWRTKN-UHFFFAOYSA-N,2,1,0.418,41,285,463.476,5.185,6,0.35,0.73,1.0,0.7360444794736481,0.6627373038174217,0.7537009115208005,0.7234596669179632,0.7189855904324584
EOS-2-17890,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-n6cccc6)c5)n34)cn2)ccn1,LVZGKLQNRGMRCW-UHFFFAOYSA-N,2,1,0.438,28,603,463.476,4.757,6,0.331,0.62,1.0,0.5261719553149201,0.46179151531766155,0.8086663011445412,0.7726595161400863,0.6423223219793023
EOS-2-17891,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)c1,BKCBFNMQVFEPKE-UHFFFAOYSA-N,2,1,0.576,12,492,463.476,4.757,6,0.354,0.69,1.0,0.4035792611884038,0.457191076691111,0.7814320471523541,0.767922006716469,0.6025310979370845
EOS-2-17892,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(F)cc5Oc5ccccc5)n34)nc2)n[nH]1,VATDGYQAZSTWAN-UHFFFAOYSA-N,2,1,0.311,30,737,463.476,5.483,6,0.364,0.71,0.334,0.370202522102666,0.41277157151668836,0.7466074977725995,0.7342968268110479,0.5659696045507505
EOS-2-17893,Fc1cc(-n2ccnc2)ccc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,URKQIQCNFRTYQK-UHFFFAOYSA-N,2,1,0.468,77,933,463.476,4.757,6,0.354,0.66,1.0,0.7687272976492359,0.520115139469536,0.8409550407785621,0.8025495168254403,0.7330867486806936
EOS-2-17894,COc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1F,RZPSVXQBSXSBAY-UHFFFAOYSA-N,2,1,0.36,93,689,463.476,4.854,6,0.363,0.79,0.997,0.127655746693167,0.2967325748749229,0.7183280789527791,0.7129737509423617,0.46392253786580767
EOS-2-17895,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1,KBGZBMYTGUDIQT-UHFFFAOYSA-N,2,1,0.494,28,603,463.476,4.757,6,0.354,0.7,1.0,0.5465698033034062,0.42187821259680625,0.7004232060859434,0.7209666917963128,0.5974594784456172
EOS-2-17896,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cn2)c1,RBOQHGDZWDSXIB-UHFFFAOYSA-N,2,1,0.527,28,177,463.476,4.757,6,0.354,0.69,1.0,0.4378041258309917,0.502038928106367,0.7579929408539511,0.742366869988349,0.6100507161949147
EOS-2-17897,COc1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5)c(F)c4)n23)ccc1-c1nc[nH]n1,ZPEWLEYFONMPBQ-UHFFFAOYSA-N,2,1,0.348,93,834,463.476,5.058,6,0.384,0.73,1.0,0.4979011034199164,0.4355167569049414,0.8108937015968748,0.7844561716126379,0.6321919333835926
EOS-2-17898,COc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cn2)cc1,ODVSZRNWTMLSEB-UHFFFAOYSA-N,2,1,0.405,69,668,463.476,4.854,6,0.34,0.75,1.0,0.057030018504557606,0.2760434514426701,0.8457525186758961,0.7913525460900556,0.4925446336782948
EOS-2-17899,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(-n6cccc6)n5)nc4)n23)cc1,BJMMKKRZGCHGAZ-UHFFFAOYSA-N,2,1,0.57,28,177,463.476,4.757,6,0.354,0.7,1.0,0.8081694195051744,0.6675861832636557,0.7156380645603454,0.6904684394489754,0.7204655266945378
EOS-2-17900,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccnc5Oc5cccc(F)c5)n34)cc2)n[nH]1,PFLZQSRVEDDGBH-UHFFFAOYSA-N,2,1,0.418,69,152,463.476,5.483,6,0.364,0.58,1.0,0.41469912960043864,0.5811116441642108,0.7580015077787677,0.7261239805359468,0.619984065519841
EOS-2-17901,COc1nc(-c2cccnc2)ccc1-c1cncc2nnc(-c3ccc(-c4cc(F)c[nH]4)cc3)n12,HFVZFZZTHRNCDZ-UHFFFAOYSA-N,2,1,0.309,69,57,463.476,5.058,6,0.384,0.7,1.0,0.5005397162634501,0.5246984442464533,0.7698238640257693,0.7315639777945309,0.631656500582551
EOS-2-17902,Cn1nccc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1F,FKZQAUQVQVSRMW-UHFFFAOYSA-N,2,1,0.427,12,285,463.476,5.185,6,0.35,0.76,1.0,0.5965064080597628,0.5569786169556576,0.7743729011034199,0.7474042217805497,0.6688155369748475
EOS-2-17903,OCc1nc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)ccn2)cs1,MIIKCSMXVTYDKB-UHFFFAOYSA-N,2,1,0.61,75,819,436.522,3.485,5,0.417,0.71,1.0,0.48806627373038175,0.4174148447673223,0.13945240216571858,0.132427523816051,0.29434026111986844
EOS-2-17904,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1cncs1,DQVGVBSYPVNCQH-UHFFFAOYSA-N,2,1,0.541,4,83,436.522,4.267,5,0.393,0.75,1.0,0.31039681995750806,0.3506956342951134,0.2319237886368309,0.14134569255020218,0.2585904838599137
EOS-2-17905,CCOc1ncsc1-c1cncc2nnc(-c3ccc(-c4cccs4)nc3OC)n12,GXZAQSNYHQWNLW-UHFFFAOYSA-N,2,1,0.319,49,710,436.522,4.446,5,0.389,0.64,1.0,0.24105613049139882,0.20466383387019396,0.08330477691727778,0.04980810088410664,0.1447082105407443
EOS-2-17906,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)cc5F)n34)cc2)cn1,LQUKGJHQIVUEHZ-UHFFFAOYSA-N,2,1,0.313,38,303,463.48,4.158,6,0.387,0.72,1.0,0.15787985744637106,0.26023747515591805,0.5752775683640601,0.5525666506750737,0.3864903879103557
EOS-2-17907,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)nc1F,VAQWPKZKIAUTGS-UHFFFAOYSA-N,2,1,0.301,30,714,463.48,4.158,6,0.387,0.64,1.0,0.08417860324857789,0.19079398259200878,0.2864865327941882,0.31035398533342473,0.2179532759920499
EOS-2-17908,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)c(F)c5)n34)cc2)n1C,HTQGDALNOVWWOX-UHFFFAOYSA-N,2,1,0.329,9,98,463.48,4.158,6,0.387,0.7,1.0,0.2781080803234871,0.25530292646151737,0.6158419573709821,0.5817027619765609,0.43273893153313686
EOS-2-17909,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)nc1,YFGMICNYPKPUJA-UHFFFAOYSA-N,2,1,0.321,64,449,463.48,4.158,6,0.387,0.68,0.997,0.13599993146460146,0.20955554794051126,0.39763381536563636,0.4180830649030224,0.2903180899184429
EOS-2-17910,Cc1c(-c2nnc3cncc(-c4ccc(-c5ccnc(F)n5)cn4)n23)c(-c2ccccc2)nn1C,DXLFOWPRJFRIBF-UHFFFAOYSA-N,2,1,0.294,30,945,463.48,4.158,6,0.362,0.6,1.0,0.0604910561304914,0.18669899252964156,0.25352957302446716,0.2826399835515043,0.19583990130902612
EOS-2-17911,CCn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cn5)n34)cc2)cn1,NWVFIMVFTUHGNU-UHFFFAOYSA-N,2,1,0.302,42,983,463.48,4.333,6,0.375,0.7,1.0,0.22151497498457953,0.2402851072578987,0.4556061956000274,0.43085634980467413,0.3370656569117949
EOS-2-17912,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nc1,WRKGSQYBDUCUPY-UHFFFAOYSA-N,2,1,0.309,70,392,463.48,4.158,6,0.387,0.7,1.0,0.10109827976149681,0.19080254951682543,0.4833630320060311,0.4433040915632924,0.30464198821191146
EOS-2-17913,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cn5)n34)cc2)n1C,ZQICEXOMUWUIBG-UHFFFAOYSA-N,2,1,0.356,38,787,463.48,4.158,6,0.362,0.75,1.0,0.152516962511137,0.2655404016174354,0.41139229662120486,0.4216212048523062,0.31276771640052087
EOS-2-17914,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cc3)n12,HKPVJHBIVAIBTF-UHFFFAOYSA-N,2,1,0.382,3,474,463.48,4.333,6,0.375,0.72,0.995,0.2108577205126448,0.40332225344390377,0.2391971078061819,0.4085823452813378,0.31548985676101704
EOS-2-17915,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c(F)c2)n(C)n1,FNLLQMIHDNYUPY-UHFFFAOYSA-N,2,1,0.341,32,693,463.48,4.158,6,0.387,0.66,1.0,0.2189705983140292,0.27080049345486945,0.3526745939277637,0.36767527928174903,0.3025302412446028
EOS-2-17916,CCn1c(-c2cc(F)cnn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,PPHZVIGNBMFDBU-UHFFFAOYSA-N,2,1,0.355,93,774,463.48,4.333,6,0.375,0.68,0.999,0.23827187992598178,0.32638270166541017,0.1833064903022411,0.3543794119662806,0.2755851209649784
EOS-2-17917,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)cn5)n34)cc2)cnc1F,BMQCMNDUUJEPOT-UHFFFAOYSA-N,2,1,0.325,38,725,463.48,4.158,6,0.387,0.64,1.0,0.10616133232814749,0.23468233842779795,0.4869268727297649,0.42454252621478994,0.31307826742512507
EOS-2-17918,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)ccc5F)n34)cc2)nn1,LRVWFRMHTYANHS-UHFFFAOYSA-N,2,1,0.337,9,642,463.48,4.158,6,0.387,0.77,1.0,0.22725481461174696,0.3556815845384141,0.52486121581797,0.5194469193338359,0.4068111335754917
EOS-2-17919,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)c(-c2ccc(F)cc2)n1,PLCZWQICYFWYLC-UHFFFAOYSA-N,2,1,0.337,42,714,463.48,4.158,6,0.387,0.71,0.999,0.15252552943595368,0.28090946473853745,0.5039836200397505,0.4927866493043657,0.35755131587965183
EOS-2-17920,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)cn5)n34)c(F)c2)nn1,HXMZQTARWYLPHS-UHFFFAOYSA-N,2,1,0.329,38,572,463.48,4.158,6,0.387,0.64,1.0,0.1332756493729011,0.28634089507230487,0.5315434171749709,0.4839884175176479,0.3587870947844562
EOS-2-17921,Cc1nnc(-c2cccc(F)n2)cc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,AXYJSXWKYSGEDH-UHFFFAOYSA-N,2,1,0.313,38,42,463.48,4.158,6,0.362,0.65,1.0,0.26501781920361867,0.23469090535261464,0.42280344047700635,0.4051298745802207,0.33191050990336507
EOS-2-17922,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cn2)n1C,NLZNNXLIZJZVCD-UHFFFAOYSA-N,2,1,0.321,42,762,463.48,4.158,6,0.387,0.66,1.0,0.3131982043725584,0.2809180316633541,0.4298968542252073,0.38345555479405113,0.3518671612637927
EOS-2-17923,CCn1cncc1-c1nncc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)n1,UOQCRTGRWTUIMZ-UHFFFAOYSA-N,2,1,0.362,3,186,463.48,4.333,6,0.375,0.63,0.977,0.24106469741621547,0.37488006305256666,0.44824720718250977,0.5258978137207868,0.39752244534301967
EOS-2-17924,Cc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)n(C)n2)nn1,SIIJQBLCBRUJGX-UHFFFAOYSA-N,2,1,0.317,38,270,463.48,4.158,6,0.362,0.55,1.0,0.11409430470838187,0.2346994722774313,0.41889692276060586,0.4216297717771229,0.2973301178808855
EOS-2-17925,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nccn6C)cc5F)n34)cc2)cn1,ZPKGZDHDDRASOJ-UHFFFAOYSA-N,2,1,0.317,42,369,463.48,4.158,6,0.387,0.6,1.0,0.27291652388458637,0.30672160921115754,0.4869354396545816,0.4401086286066753,0.3766705503392502
EOS-2-17926,Cc1cn(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)nc1,DHXVAXSBMSHHMT-UHFFFAOYSA-N,2,1,0.317,70,191,463.48,4.158,6,0.387,0.71,1.0,0.1411572202042355,0.2809265985881708,0.429905421150024,0.40859091220615446,0.31514503803714616
EOS-2-17927,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)cc2)n(C)n1,BCLJRRKJKQPIBN-UHFFFAOYSA-N,2,1,0.301,38,179,463.48,4.158,6,0.387,0.72,1.0,0.14399287231855254,0.22985915975601398,0.36004214927009803,0.3773816050990336,0.27781894661092454
EOS-2-17928,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnn(C)c6)cn5)n34)c(F)c2)n1,QWENKRDRGROUFN-UHFFFAOYSA-N,2,1,0.318,42,72,463.48,4.158,6,0.387,0.62,1.0,0.16614693989445548,0.29674114179973954,0.5519840997875403,0.5060139812213008,0.3802215406757591
EOS-2-17929,Cc1ccc(-c2nnc3cncc(-c4ccc5ccc-5cn(C)nc4)n23)c(-c2ncc(F)cn2)n1,NXCPOIZSMJKAAV-UHFFFAOYSA-N,2,1,0.266,82,856,463.48,4.1,6,0.39,0.64,1.0,0.14116578712905214,0.24535672674936604,0.4263929819751902,0.39016345692550203,0.3007697381947776
EOS-2-17930,Cc1ncc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)n1C,QADCUGDEGSTUKG-UHFFFAOYSA-N,2,1,0.333,42,608,463.48,4.158,6,0.387,0.63,1.0,0.32806181892947706,0.30156432047152354,0.45202522102666026,0.40859947913097117,0.372562709889658
EOS-2-17931,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)cc4)n23)nc1,ASLNYTGPIAEAJK-UHFFFAOYSA-N,2,1,0.317,38,787,463.48,4.333,6,0.351,0.57,1.0,0.2650263861284353,0.255311493386334,0.34888801315879653,0.3901720238503187,0.31484947913097117
EOS-2-17932,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cn(C)nc5-c5ccnc(F)c5)n34)cc2)cn1,LCOOHLGPZCDSDL-UHFFFAOYSA-N,2,1,0.31,42,725,463.48,4.158,6,0.362,0.69,1.0,0.12193304091563292,0.22483037488862997,0.5248697827427866,0.4777259954766637,0.3373397985059283
EOS-2-17933,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(C)[nH]n6)cc5F)n34)cn2)n1,UZNKTNIUSHQIOI-UHFFFAOYSA-N,2,1,0.289,42,693,463.48,4.456,6,0.411,0.62,0.908,0.2837965184017545,0.3650538002878487,0.5584264272496745,0.5128760879994517,0.4300382084846823
EOS-2-17934,Cc1nc(-c2ccc(F)cc2)cc(-c2cncc3nnc(-c4ccc(-c5cnn(C)n5)cc4)n23)n1,MTJXCDBTRXGQPR-UHFFFAOYSA-N,2,1,0.372,3,787,463.48,4.158,6,0.387,0.7,1.0,0.23258344184771435,0.3310773764649441,0.49021657185936535,0.48071585223768076,0.3836483106024261
EOS-2-17935,Cc1ncc(-c2nnc3cncc(-c4cccc(-c5cn(C)nn5)c4)n23)c(-c2ccc(F)cc2)n1,YVOGRGHNAFMCCN-UHFFFAOYSA-N,2,1,0.321,3,764,463.48,4.158,6,0.387,0.69,1.0,0.11410287163319854,0.24029367418271538,0.4482557741073264,0.48399698444246453,0.3216623260914262
EOS-2-17936,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccns6)cn5)n34)cc2)cn1,SQEQLAFBMIUVNB-UHFFFAOYSA-N,2,1,0.316,42,818,436.504,4.377,6,0.408,0.63,1.0,0.08203687204441094,0.092454252621479,0.5077787677335344,0.4777345624014804,0.2900011137002262
EOS-2-17937,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nc1,XHGBDCQJIJJZNH-UHFFFAOYSA-N,2,1,0.283,70,392,436.504,4.377,6,0.408,0.71,1.0,0.03684634363648825,0.05332910698375711,0.4189054896854225,0.41184634363648825,0.23023182098553902
EOS-2-17938,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)nc2)n1,DQVPDNXTWJYTEQ-UHFFFAOYSA-N,2,1,0.312,38,818,436.504,4.377,6,0.408,0.68,1.0,0.055085326571174015,0.10526180522239736,0.45889589472962783,0.42784079226920707,0.2617709546981016
EOS-2-17939,Cn1cc(-c2ccc(-c3cncc4nnc(-c5scnc5-c5ccccc5)n34)nc2)cn1,VHUYNNGQTKEYGA-UHFFFAOYSA-N,2,1,0.326,32,714,436.504,4.377,6,0.408,0.75,1.0,0.060499623055308066,0.060970803920224796,0.297375094236173,0.3320968405181276,0.18773559043245835
EOS-2-17940,Cc1csc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)n1,XQXSCVFMEKMXMK-UHFFFAOYSA-N,2,1,0.353,30,39,436.504,4.471,6,0.405,0.78,1.0,0.006116784319100815,0.032597148927421014,0.2712888081694195,0.2975721335069563,0.15189371873072444
EOS-2-17941,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4cscn4)cn3)n12,DEAISIVPMQMANM-UHFFFAOYSA-N,2,1,0.286,32,945,436.504,4.377,6,0.408,0.7,0.945,0.04708381879240628,0.03854259475018847,0.22824857789048042,0.2855099033650881,0.14984622369954081
EOS-2-17942,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4cccs4)nn3)n12,PQUJDWGOODYZBK-UHFFFAOYSA-N,2,1,0.276,76,541,436.504,4.377,6,0.408,0.69,0.601,0.05188986361455692,0.06867246933040916,0.16715783702282228,0.2467274347200329,0.13361190117195532
EOS-2-17943,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5ccsc5)cn4)n23)cc1,HTOLAFHBGHAHEB-UHFFFAOYSA-N,2,1,0.338,42,106,436.504,4.377,6,0.408,0.69,1.0,0.14117435405386883,0.09246281954629566,0.3488965800836132,0.35438797889109724,0.23423043314371872
EOS-2-17944,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)nc2)cn1,LEZKUXRWWQTKDR-UHFFFAOYSA-N,2,1,0.287,70,687,436.504,4.377,6,0.408,0.77,1.0,0.042826057158522376,0.0760057569734768,0.42991398807484066,0.4118549105613049,0.2401501781920362
EOS-2-17945,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)n[nH]1,VVTNQSOMRDBIJA-UHFFFAOYSA-N,2,1,0.306,9,894,436.504,4.675,6,0.431,0.72,1.0,0.05189843053937359,0.14250222740045235,0.5183503529573025,0.5162514563772188,0.3072506168185868
EOS-2-17946,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)cn1,MVMOOEQZLIVQOJ-UHFFFAOYSA-N,2,1,0.306,38,714,436.504,4.377,6,0.408,0.68,1.0,0.05190699746419025,0.08636316907682819,0.5111284353368515,0.4718233842779796,0.28030549653896236
EOS-2-17947,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnns5)c4)n23)cc1,AHKFXAMQTAJUFX-UHFFFAOYSA-N,2,1,0.338,9,867,436.504,4.377,6,0.408,0.61,1.0,0.05868343499417449,0.042294907819888976,0.4520337879514769,0.4560345418408608,0.2522616681516003
EOS-2-17948,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)n2)nn1,SEZPIHDATZHWCI-UHFFFAOYSA-N,2,1,0.315,38,865,436.504,4.377,6,0.408,0.65,1.0,0.034122061544787884,0.07601432389829346,0.3156312110204921,0.35763484339661433,0.19585060996504694
EOS-2-17949,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)cn1,PPGIDGWFROAEFW-UHFFFAOYSA-N,2,1,0.314,9,894,436.504,4.377,6,0.408,0.77,1.0,0.021365910492769515,0.06508292783222534,0.5618103625522582,0.54936262079364,0.29940545541772323
EOS-2-17950,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)s1,JORIVTXQLPBLOX-UHFFFAOYSA-N,2,1,0.307,38,193,436.504,4.377,6,0.408,0.69,1.0,0.10110684668631348,0.09875094236172983,0.2755551367281201,0.32252758549790966,0.19948512781851827
EOS-2-17951,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)n1,MDOUJIOXQXATOE-UHFFFAOYSA-N,2,1,0.306,38,787,436.504,4.377,6,0.408,0.8,1.0,0.03685491056130492,0.08946439586046193,0.390060653827702,0.35764341032143104,0.218505842642725
EOS-2-17952,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cc1,VHVGXTVDQHAKEC-UHFFFAOYSA-N,2,1,0.338,9,98,436.504,4.377,6,0.408,0.71,1.0,0.07359845109999315,0.03855116167500514,0.45561476252484406,0.45299328353094376,0.2551894147076965
EOS-2-17953,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cs1,AFGKPOXDESLZPF-UHFFFAOYSA-N,2,1,0.287,30,179,436.504,4.377,6,0.408,0.71,0.998,0.05341477623192379,0.06509149475704201,0.2829226920704544,0.3543965458159139,0.18895637721883352
EOS-2-17954,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)sn1,MLDMSTZZXTWWJV-UHFFFAOYSA-N,2,1,0.289,9,834,436.504,4.675,6,0.431,0.67,1.0,0.06770440682612569,0.16552155438283875,0.45204235487629363,0.44011719553149203,0.28134637790418754
EOS-2-17955,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cs1,WJOOSMFOMMBMHH-UHFFFAOYSA-N,2,1,0.314,30,195,436.504,4.471,6,0.405,0.71,0.829,0.005637036529367419,0.057115687752724284,0.31177609485299157,0.31934925639092593,0.1734695188815023
EOS-2-17956,Cn1cc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)c(-c2ccccn2)n1,YDLKKJLATOJESQ-UHFFFAOYSA-N,2,1,0.293,70,392,436.504,4.377,6,0.408,0.72,1.0,0.024578507299019944,0.05333767390857378,0.27556370365293675,0.3225361524227263,0.16900400932081422
EOS-2-17957,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)nn1,YVBYGHUJLHOYAC-UHFFFAOYSA-N,2,1,0.371,93,651,436.504,4.377,6,0.408,0.75,1.0,0.06234151189089165,0.08637173600164486,0.2606229867726681,0.3514152559797135,0.19018787266122955
EOS-2-17958,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)cc1,ZGVONGVWMBCZPK-UHFFFAOYSA-N,2,1,0.338,9,98,436.504,4.377,6,0.408,0.71,1.0,0.07360701802480982,0.038559728599821805,0.4556233294496608,0.4530018504557604,0.2551979816325132
EOS-2-17959,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)s2)n[nH]1,HCUFCRSVUQFRAJ-UHFFFAOYSA-N,2,1,0.309,76,368,436.504,4.675,6,0.431,0.68,0.951,0.08418717017339455,0.1655301213076554,0.38281303543280104,0.3803800287848674,0.2532275889246796
EOS-2-17960,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)cn4)n23)s1,BNXRZXNGMIQCBX-UHFFFAOYSA-N,2,1,0.31,76,653,436.504,4.377,6,0.408,0.61,0.999,0.032982660544171066,0.04950825851552327,0.2712973750942362,0.3071071208279076,0.16522385374545953
EOS-2-17961,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)c1,AITONCFEXWZETE-UHFFFAOYSA-N,2,1,0.324,25,791,436.504,4.377,6,0.408,0.79,1.0,0.08897608114591186,0.10196353916798026,0.33418717017339455,0.4180916318278391,0.23580460557878147
EOS-2-17962,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)cc2)n1,DXHQINASSXVWNG-UHFFFAOYSA-N,2,1,0.333,9,508,436.504,4.377,6,0.408,0.73,1.0,0.10616989925296416,0.09247138647111233,0.3937872661229525,0.44671372764032624,0.2597855698718388
EOS-2-17963,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)n1,QPNFBVUFPZVMSV-UHFFFAOYSA-N,2,1,0.299,38,150,436.504,4.471,6,0.405,0.66,1.0,0.007753066959084367,0.07602289082311013,0.397642382290453,0.37739017202385033,0.21470212802412447
EOS-2-17964,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncs6)c5)n34)cc2)n1,SVQCDTDKODWXQF-UHFFFAOYSA-N,2,1,0.32,9,38,436.504,4.377,6,0.408,0.7,1.0,0.12194160784044959,0.07955246384757728,0.46597217462819546,0.45937564251936125,0.2817104722088959
EOS-2-17965,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c1,LCVUOWWFDXGTRG-UHFFFAOYSA-N,2,1,0.329,9,642,436.504,4.377,6,0.408,0.75,1.0,0.05869200191899116,0.06868103625522583,0.35268316085258034,0.3706565691179494,0.21267819203618668
EOS-2-17966,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)cn1,LDGDCSPWTPSETQ-UHFFFAOYSA-N,2,1,0.306,38,57,436.504,4.377,6,0.408,0.8,1.0,0.03686347748612158,0.09581248714961277,0.45563189637447743,0.41186347748612157,0.25004283462408333
EOS-2-17967,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cc1,ZDHOQVPUHIHISG-UHFFFAOYSA-N,2,1,0.333,9,894,436.504,4.377,6,0.408,0.74,1.0,0.029256048248920568,0.04951682544033994,0.5147865122335686,0.5027671167157837,0.2740816256596532
EOS-2-17968,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)s1,RVSRVUPBYWIYFH-UHFFFAOYSA-N,2,1,0.329,38,983,436.504,4.377,6,0.408,0.7,1.0,0.15788842437118772,0.135083270509218,0.33745973545336166,0.3385220341306285,0.242238366116099
EOS-2-17969,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)cs4)n23)cc1,PONPMKQWSBVJTE-UHFFFAOYSA-N,2,1,0.394,93,74,436.504,4.377,6,0.408,0.74,1.0,0.0640548968542252,0.0987595092865465,0.2282571448152971,0.2735504763210198,0.16615550681927216
EOS-2-17970,CC(C)(O)c1ncc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)c(F)c2)cn1,JKQOAZMKJNSYTG-UHFFFAOYSA-N,2,1,0.466,16,256,463.498,3.65,5,0.406,0.68,1.0,0.8237183880474265,0.7869577136591049,0.45890446165444454,0.29136111301487216,0.590235419093962
EOS-2-17971,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ccn2)s1,BJJIKWPOUOLEKH-UHFFFAOYSA-N,2,1,0.479,75,699,463.498,3.612,5,0.344,0.65,1.0,0.49790967034473305,0.4527619765608937,0.2211979987663628,0.20609451031457748,0.34449103899664174
EOS-2-17972,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4n[nH]c(=N)s4)c(F)c3)n12,JMHJCDCQTDHDNW-UHFFFAOYSA-N,2,1,0.567,91,273,463.498,3.492,5,0.382,0.6,1.0,0.7482780481118497,0.6239548351723665,0.4589130285792612,0.3481683914741964,0.5448285758344185
EOS-2-17973,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnoc6)cc5)n34)cc2)cs1,QKKNHMIINHYABA-UHFFFAOYSA-N,2,1,0.318,69,958,436.5,5.545,6,0.361,0.75,1.0,0.11106161332328147,0.1577085189500377,0.662677335343705,0.6357600575697347,0.3918018812966897
EOS-2-17974,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccsc6)c5)n34)cc2)o1,MKLVDFZESORZQN-UHFFFAOYSA-N,2,1,0.311,9,598,436.5,5.545,6,0.361,0.72,1.0,0.1885237475155918,0.15771708587485436,0.5685353985333425,0.5784130628469605,0.3732973236926873
EOS-2-17975,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)cc5)n34)nc2)cs1,TYGZKWJFQIHDNA-UHFFFAOYSA-N,2,1,0.29,32,532,436.5,5.545,6,0.361,0.81,1.0,0.039904735796038655,0.0760314577479268,0.5385254609005551,0.5295815913919539,0.2960108114591186
EOS-2-17976,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cc2)o1,RBXVPPQCGLHMJT-UHFFFAOYSA-N,2,1,0.329,69,958,436.5,5.545,6,0.361,0.72,1.0,0.2023336303200603,0.24030224110753204,0.6651703104653554,0.6180522239736824,0.43146460146665755
EOS-2-17977,COc1ccncc1-c1ccc(-c2nnc3cncc(-c4cc5ccncc5s4)n23)cc1,FWNVZDKTZXLUSW-UHFFFAOYSA-N,2,1,0.337,42,983,436.5,5.139,6,0.381,0.66,1.0,0.3379223493934617,0.22986772668083064,0.6951117126996094,0.6527911041052704,0.47892322321979297
EOS-2-17978,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)s5)n34)cc2)o1,QDBUDSCDNWFYDY-UHFFFAOYSA-N,2,1,0.362,93,270,436.5,5.545,6,0.361,0.76,1.0,0.22726338153656364,0.22483894181344666,0.4520509218011103,0.4747361387156466,0.3447223459666918
EOS-2-17979,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cc5)n34)cc2)o1,VKKRYORASQILIJ-UHFFFAOYSA-N,2,1,0.314,69,898,436.5,5.545,6,0.361,0.79,1.0,0.17137276403262286,0.22987629360564732,0.6006956342951134,0.5493711877184566,0.38782896991296006
EOS-2-17980,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)s2)on1,MJIHWTZCFANZHX-UHFFFAOYSA-N,2,1,0.276,30,301,436.5,5.545,6,0.361,0.77,1.0,0.06572544719347544,0.10863717360016449,0.4659807415530121,0.4927952162291824,0.2832846446439586
EOS-2-17981,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cc2)cs1,DTZVZGRBFGBYBE-UHFFFAOYSA-N,2,1,0.333,69,898,436.5,5.545,6,0.361,0.74,1.0,0.15789699129600437,0.20956411486532794,0.5752861352888767,0.5295901583167706,0.3680843499417449
EOS-2-17982,Cc1cccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1,JYXJRXGWPRNIAL-UHFFFAOYSA-N,2,1,0.3,69,299,436.5,5.545,6,0.361,0.81,1.0,0.09379069289287917,0.10864574052498115,0.5315519840997875,0.5624700157631417,0.3241146083201974
EOS-2-17983,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)n1,TZKJRQXAHGVAPE-UHFFFAOYSA-N,2,1,0.385,93,651,436.5,5.545,6,0.361,0.77,1.0,0.28380508532657117,0.3015728873963402,0.4151874443149887,0.4747447056404633,0.36882753066959084
EOS-2-17984,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)cn5)n34)cc2)o1,RQSOFWOBDHJUFJ-UHFFFAOYSA-N,2,1,0.314,38,818,436.5,5.545,6,0.361,0.67,1.0,0.10111541361113015,0.10527037214721403,0.6788859570968405,0.6442841477623192,0.382388972654376
EOS-2-17985,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)cc2)s1,AHAAYQVUUDFPBX-UHFFFAOYSA-N,2,1,0.32,69,98,436.5,5.545,6,0.361,0.73,1.0,0.07564594613117676,0.12117915153176616,0.5452247961071893,0.5690494140223425,0.3277748269481187
EOS-2-17986,Cc1ccc(-c2nnc3cncc(-c4nc5ccccc5s4)n23)c(-c2ccc(C#N)c(F)c2)n1,RUHJOIUXBSPYCM-UHFFFAOYSA-N,2,1,0.321,30,891,463.501,5.449,6,0.347,0.68,0.08,0.2864779658693715,0.48335446508121443,0.6816273730381742,0.7287197587553972,0.5450448906860393
EOS-2-17987,COc1cc(-c2cnn(C)c2)ccc1-c1cncc2nnc(-c3ccc(-c4cnc(C)o4)cc3)n12,FUDIJMFEVLWNAK-UHFFFAOYSA-N,2,1,0.341,9,303,463.501,4.831,6,0.361,0.69,1.0,0.2567507367555342,0.09582105407442944,0.6571945034610376,0.4840055513672812,0.3734429614145706
EOS-2-17988,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cn4)n23)cc1,KNTRWNPLQRWYPO-UHFFFAOYSA-N,2,1,0.552,89,656,463.501,3.72,6,0.392,0.79,1.0,0.40148893153313686,0.15772565279967102,0.289998971969022,0.2884226578027551,0.28440905352614626
EOS-2-17989,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(-c4ccn(C)n4)cc3)n12,NFQZFTUJDNCXOD-UHFFFAOYSA-N,2,1,0.494,77,323,463.501,4.734,6,0.352,0.69,1.0,0.4830803234870811,0.33108594338976083,0.37536837776711673,0.32254471934754303,0.37801984099787544
EOS-2-17990,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(-c4cnn(C)c4)cc3)n12,ZPWQIMORTZERES-UHFFFAOYSA-N,2,1,0.494,77,190,463.501,4.734,6,0.352,0.69,1.0,0.440040093208142,0.3263912685902269,0.43374340346789114,0.377398738948667,0.39439337605373176
EOS-2-17991,Cc1ncoc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)c1,NKMLEZYVFFIRAS-UHFFFAOYSA-N,2,1,0.5,77,190,463.501,4.734,6,0.352,0.7,1.0,0.44452059488725926,0.23470803920224795,0.5685439654581591,0.43712733877047494,0.4212249845795353
EOS-2-17992,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)c4)n23)cc1,NWJVNIJBYWBTTR-UHFFFAOYSA-N,2,1,0.53,67,755,463.505,3.566,6,0.372,0.68,1.0,0.5206205880337195,0.2602460420807347,0.34116064697416215,0.27667740387910356,0.34967617024193
EOS-2-17993,Cc1cn(C)c(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cc2)n1,PQXIMLWPDVTDDB-UHFFFAOYSA-N,2,1,0.56,40,2,463.505,3.66,6,0.372,0.68,1.0,0.35639263929819753,0.17818346926187376,0.29738366116098963,0.20610307723939414,0.2595157117401138
EOS-2-17994,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(-n5cccn5)n4)n23)c1,CBTIPKUTXBTCBC-UHFFFAOYSA-N,2,1,0.417,81,932,463.505,3.834,6,0.355,0.68,1.0,0.16870845041463917,0.12118771845658283,0.2864950997190049,0.2204612432321294,0.19921312795558904
EOS-2-17995,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)cc2)nn1C,NVAPBEBJWWRVJK-UHFFFAOYSA-N,2,1,0.698,77,104,463.505,3.66,6,0.372,0.74,1.0,0.12478582687958331,0.2095726817901446,0.23920567473099857,0.1944349256390926,0.1919997772599548
EOS-2-17996,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccn5C)c4)n23)cc1,VBZHAWXAGJMVCU-UHFFFAOYSA-N,2,1,0.538,56,8,463.505,3.566,6,0.372,0.6,1.0,0.5817627304502776,0.26025460900555136,0.35639263929819753,0.2587296963881845,0.36428491878555275
EOS-2-17997,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccn(C)n6)cc5)n34)cc2)nn1,OSDCKCJDCRSCOG-UHFFFAOYSA-N,2,1,0.518,77,245,463.505,3.566,6,0.372,0.72,1.0,0.4400486601329587,0.29674970872455625,0.437435748063875,0.34159756013981224,0.37895791926530054
EOS-2-17998,COc1cc(-c2ccnn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,URSOOMHSJBTESP-UHFFFAOYSA-N,2,1,0.322,42,369,463.505,3.663,6,0.385,0.63,1.0,0.13057706805565075,0.024775546569803304,0.3600507161949147,0.24099616201768212,0.18909987320951271
EOS-2-17999,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cc1,BUBBENGRNBEDLM-UHFFFAOYSA-N,2,1,0.469,40,932,463.505,3.834,6,0.355,0.61,1.0,0.30262661914879035,0.1739685422520732,0.3792320608594339,0.28264855047632104,0.2846189431841546
EOS-2-18000,COc1cc(-c2cn(C)nn2)ccc1-c1nnc2cncc(-c3ccc(-c4cnn(C)c4)cc3)n12,HWQLZVUCDXQSBM-UHFFFAOYSA-N,2,1,0.337,9,764,463.505,3.663,6,0.385,0.68,1.0,0.07171372764032623,0.02690014392433692,0.47305702145157974,0.3576519772462477,0.23233071756562262
EOS-2-18001,CCn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cc2)cn1,AHPPXUPPKPUUEA-UHFFFAOYSA-N,2,1,0.488,67,722,463.505,4.263,6,0.364,0.74,1.0,0.232592008772531,0.21954458227674595,0.35269172777739705,0.2913696799396889,0.27404949969159076
EOS-2-18002,COc1ccc(-c2cn(C)nn2)cc1-c1cncc2nnc(-c3ccc(-c4cc(C)[nH]n4)cc3)n12,YLJHPFMCULCDOV-UHFFFAOYSA-N,2,1,0.33,9,764,463.505,3.961,6,0.412,0.59,1.0,0.07763347268864368,0.0894729627852786,0.45205948872592694,0.33537797272291137,0.23863597423069016
EOS-2-18003,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cc2)n(C)n1,AMVDNXRQDPLDBV-UHFFFAOYSA-N,2,1,0.523,40,932,463.505,3.66,6,0.372,0.66,1.0,0.33556644506887806,0.25532006031115073,0.23921424165581523,0.18615070934137481,0.2540628640943047
EOS-2-18004,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccn6)cn5C)n34)cc2)n1,OHFIGNYLUYUATD-UHFFFAOYSA-N,2,1,0.423,81,59,463.505,3.566,6,0.372,0.63,1.0,0.442361729833459,0.40799122746898775,0.22449626482077994,0.17514221095195667,0.31249785826879584
EOS-2-18005,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccn(C)n4)cc3)n12,QGCIHHIICCJEQR-UHFFFAOYSA-N,2,1,0.341,9,642,463.505,3.663,6,0.385,0.72,1.0,0.12479439380439997,0.035561304913988075,0.38640257693098484,0.2826571174011377,0.20735384826262765
EOS-2-18006,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cc2)cn1,OKMDRPFRLTXPSS-UHFFFAOYSA-N,2,1,0.531,67,755,463.505,3.566,6,0.372,0.73,1.0,0.42879172092385714,0.2553286272359674,0.45892159550407785,0.36442841477623195,0.3768675896100336
EOS-2-18007,Cn1nc(-c2nn(C)n(C)c2=O)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,PFHJXTGWMCEOCJ-UHFFFAOYSA-N,2,1,0.347,25,74,463.505,2.958,6,0.398,0.53,1.0,0.10617846617778082,0.1211962853813995,0.07218490850524296,0.1259337948050168,0.10637336371736
EOS-2-18008,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n(C)n1,NLUXKGREQXMMNA-UHFFFAOYSA-N,2,1,0.398,67,755,463.505,4.263,6,0.364,0.63,1.0,0.3564012062230142,0.3169419505174423,0.17027619765608937,0.19444349256390925,0.2595157117401138
EOS-2-18009,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-n4cccn4)n23)cn1,DCJDHNZUCUGKDP-UHFFFAOYSA-N,2,1,0.406,6,547,463.505,3.834,6,0.355,0.69,1.0,0.3076982386402577,0.14998115276540333,0.3117846617778082,0.24673600164484957,0.25405001370707975
EOS-2-18010,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)cc1,LUMHJHGVXVLYJN-UHFFFAOYSA-N,2,1,0.553,40,2,463.505,3.66,6,0.372,0.72,1.0,0.27811664724830376,0.1577342197244877,0.3639229662120485,0.25602254814611747,0.26394909533273936
EOS-2-18011,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nncn6C)c5)n34)cc2)n1,KVFXNLKQBAUBPV-UHFFFAOYSA-N,2,1,0.506,67,755,463.505,3.566,6,0.372,0.7,1.0,0.47056404632992943,0.2863494619971215,0.37924062778425055,0.30385168939757384,0.3600014563772188
EOS-2-18012,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,XCCZJUYOMKHBLS-UHFFFAOYSA-N,2,1,0.372,67,642,463.505,3.663,6,0.385,0.69,1.0,0.17686416284010692,0.011676718525118224,0.3527002947022137,0.2560311150709341,0.19931807278459324
EOS-2-18013,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)nn5C)cn4)n23)cc1,SYKQXRRJTWISCE-UHFFFAOYSA-N,2,1,0.303,98,882,463.509,3.236,6,0.382,0.7,1.0,0.10618703310259749,0.04230347474470564,0.03779727229113837,0.03277705434857104,0.05476620862175313
EOS-2-18014,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)c(-n2c(C)nnc2C)n1,ATOXDGRMFRIAQL-UHFFFAOYSA-N,2,1,0.308,98,882,463.509,3.155,6,0.391,0.56,1.0,0.029264615173737234,0.01079432526900144,0.04852306216160647,0.03808854773490508,0.03166763758481256
EOS-2-18015,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnc(C)n6C)nn5C)n34)cc2)nn1,ROEVFSCBILAOHC-UHFFFAOYSA-N,2,1,0.291,98,63,463.509,3.061,6,0.391,0.66,1.0,0.060508189980124735,0.060979370845041465,0.04208073469947228,0.038097114659721744,0.05041635254609005
EOS-2-18016,Cc1nc(-c2cnc(N(C)C)c(-c3cncc4nnc(-c5ccc(C#N)cc5)n34)c2)n(C)n1,VAJKDJLBLUVQDF-UHFFFAOYSA-N,2,1,0.4,74,295,436.483,2.895,5,0.422,0.68,1.0,0.07361558494962649,0.08289356452607773,0.12459735453361662,0.07497772599547667,0.08902105750119937
EOS-2-18017,COc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1c(C)oc(=O)n1C,MUSNANICCOMGFZ-UHFFFAOYSA-N,2,1,0.511,15,458,463.519,3.75,5,0.363,0.51,1.0,0.4014974984579535,0.16553868823247206,0.217428551847029,0.13006305256665068,0.2286319477760263
EOS-2-18018,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)nc1,FBXAGLRHKLMFFI-UHFFFAOYSA-N,2,1,0.511,26,1,436.479,3.563,5,0.384,0.76,0.996,0.5567301761359742,0.35070420121993007,0.5214687135905696,0.4401257624563087,0.46725721335069564
EOS-2-18019,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)cc1,FRSKMXYOVBSDQE-UHFFFAOYSA-N,2,1,0.689,91,187,436.479,3.563,5,0.384,0.69,1.0,0.870176821328216,0.7021280241244603,0.4659893084778288,0.4245510931396066,0.6157113117675279
EOS-2-18020,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCCc4ccccc4C#N)n23)c1,MWJHCPBNPBQLEF-UHFFFAOYSA-N,2,1,0.518,87,73,436.479,3.388,5,0.401,0.73,1.0,0.45642862038242754,0.24031080803234872,0.5183589198821191,0.42455966006442325,0.4099145020903297
EOS-2-18021,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5)n34)o2)nn1C,ONEYOCAMNINQDN-UHFFFAOYSA-N,2,1,0.297,38,865,436.479,4.161,6,0.412,0.66,1.0,0.06771297375094236,0.0686896031800425,0.40814543211568777,0.3133866767185251,0.21448367144129943
EOS-2-18022,CCn1nncc1-c1cc(-c2nnc3cncc(OCCc4nccs4)n23)ccc1F,IDTICTYKGWQLAE-UHFFFAOYSA-N,2,1,0.578,37,563,436.476,3.287,5,0.386,0.62,1.0,0.5105201836748681,0.5383112877801385,0.11317764375299842,0.14639161126721953,0.32710018161880605
EOS-2-18023,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4csc(CF)n4)n23)c1,AUORZVBZSUTYGC-UHFFFAOYSA-N,2,1,0.423,92,905,436.476,3.575,5,0.385,0.69,0.947,0.30005654170379,0.260263175930368,0.14235658967856898,0.11236378589541499,0.2037600233020355
EOS-2-18024,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5nc(C)c(F)[nH]5)nc4)n23)cs1,VDXHVAINEXXOJW-UHFFFAOYSA-N,2,1,0.489,87,579,436.476,3.41,5,0.435,0.59,1.0,0.49046501267904874,0.5864831060242616,0.10776334726886437,0.08551504351997807,0.3175566273730382
EOS-2-18025,Cc1csc(COc2cncc3nnc(-c4ccc(F)c(-c5nc(C)nn5C)c4)n23)n1,XRGWYBZHYAHFNR-UHFFFAOYSA-N,2,1,0.518,36,677,436.476,3.378,5,0.417,0.72,1.0,0.42167260640120624,0.5292389143992873,0.08813652251387842,0.08034918785552737,0.2798493077924748
EOS-2-18026,COc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)c2)cn1,LQFRFLGSRJTNML-UHFFFAOYSA-N,2,1,0.33,62,3,436.475,3.936,5,0.447,0.75,1.0,0.3205314920156261,0.11185833733123159,0.5877167431978617,0.42456822698923996,0.3611686998834898
EOS-2-18027,COc1ccc(-c2cc(-c3nnc4cncc(OC5Cc6ccccc6C5)n34)ccn2)cn1,LJACEVJFDPTUGW-UHFFFAOYSA-N,2,1,0.476,89,183,436.475,3.803,6,0.414,0.74,1.0,0.47327119457199646,0.3795233363032006,0.6396665752861352,0.5393650195325885,0.5079565314234802
EOS-2-18028,c1ccc(-c2ncsc2-c2nnc3cncc(-c4nnc(C5(c6ccccc6)CC5)o4)n23)cc1,OKZDLFVEFGDUEA-UHFFFAOYSA-N,2,1,0.326,30,371,463.526,5.045,7,0.353,0.53,0.995,0.08898464807072853,0.14609176889863615,0.05790384483585772,0.22046981015694606,0.1283625179905421
EOS-2-18029,COc1ccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)n2)cn1,YGOCTDYPRJFKHI-UHFFFAOYSA-N,2,1,0.326,69,818,463.526,5.047,6,0.353,0.74,1.0,0.26503495305325203,0.2502141731204167,0.49022513878418206,0.4371359056952916,0.3606525426632856
EOS-2-18030,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cncs6)n5)n34)cc2)cc1,DICJOOYRICPAIR-UHFFFAOYSA-N,2,1,0.524,12,285,463.526,4.951,6,0.345,0.7,1.0,0.5129960249468851,0.5616989925296415,0.42640154890000687,0.44331265848810913,0.48610230621616063
EOS-2-18031,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cscn6)cnn5)n34)cc2)cc1,BHKJNDIHCWSKLV-UHFFFAOYSA-N,2,1,0.494,12,285,463.526,4.951,6,0.345,0.63,1.0,0.4216811733260229,0.47931087656774723,0.5418751285038722,0.5525752175998904,0.4988605989993832
EOS-2-18032,COc1nc(-c2ccccc2)cnc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,LFFGDVWORBNTMO-UHFFFAOYSA-N,2,1,0.352,69,479,463.526,5.047,6,0.353,0.7,1.0,0.34730313206771296,0.2144472620108286,0.36005928311973134,0.35766054417106435,0.3198675553423343
EOS-2-18033,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cc5)n34)cn2)nc1,DUOMUCJALCEYES-UHFFFAOYSA-N,2,1,0.471,41,78,463.526,4.951,6,0.345,0.74,1.0,0.5993077924748133,0.4793194434925639,0.541883695428689,0.5060225481461175,0.5316333698855459
EOS-2-18034,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cs2)cc1,IZGPDBGWAOOHQN-UHFFFAOYSA-N,2,1,0.506,28,363,463.526,4.951,6,0.345,0.79,1.0,0.38861284353368514,0.44856418340072646,0.3374683023781783,0.33210540744294426,0.37668768418888354
EOS-2-18035,c1ccc(-c2nscc2COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,CXIFMQFFJBKEAO-UHFFFAOYSA-N,2,1,0.506,12,427,463.526,4.951,6,0.345,0.61,1.0,0.5361781235007882,0.45719964361592763,0.47995339592899733,0.47774312932629703,0.4877685730930026
EOS-2-18036,COc1ncsc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,XJVNTNMLLGGBJL-UHFFFAOYSA-N,2,1,0.322,30,93,463.526,5.047,6,0.353,0.73,1.0,0.25426632855870057,0.19538585429374272,0.40105201836748683,0.3676838462065657,0.30459701185662397
EOS-2-18037,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccsc6)nn5)n34)cc2)cc1,VXDGNQVSWLWNHC-UHFFFAOYSA-N,2,1,0.5,12,285,463.526,4.951,6,0.345,0.72,1.0,0.5029984236858337,0.5020474950311836,0.4151960112398054,0.4624854362278117,0.4706818415461586
EOS-2-18038,COc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,JXVMFAALENKSAC-UHFFFAOYSA-N,2,1,0.341,69,152,463.526,5.047,6,0.353,0.71,1.0,0.16615550681927216,0.08290213145089438,0.5685525323829758,0.5060311150709341,0.33091032143101906
EOS-2-18039,c1ccc(-c2ccc(-c3nnc4cncc(OCc5scnc5-c5cccnc5)n34)cc2)nc1,FFVSCCINHKHUNN-UHFFFAOYSA-N,2,1,0.471,41,120,463.526,4.951,6,0.345,0.74,1.0,0.5337194160784045,0.4704355424576794,0.43375197039270785,0.4308649167294908,0.46719296141457056
EOS-2-18040,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cc2)nc1,JGILXDAKUUYURO-UHFFFAOYSA-N,2,1,0.612,28,120,463.526,4.951,6,0.345,0.72,1.0,0.42168974025083955,0.46610067850044545,0.545233363032006,0.49601637996024944,0.4822600404358851
EOS-2-18041,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cn2)cc1,PGMUULQPFTYJFE-UHFFFAOYSA-N,2,1,0.4,69,152,463.526,5.047,6,0.353,0.74,1.0,0.09629223493934617,0.09876807621136317,0.639675142210952,0.5908265369063121,0.35639049756699337
EOS-2-18042,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)s1,CZFRCVIVPZWRAH-UHFFFAOYSA-N,2,1,0.417,12,285,463.526,5.473,6,0.335,0.7,1.0,0.45857891851141114,0.4527705434857104,0.41891405661023917,0.42163833870193956,0.43797546432732504
EOS-2-18043,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)s5)n34)cc2)nc1,FCNIDGXPUHDNTM-UHFFFAOYSA-N,2,1,0.54,28,120,463.526,4.951,6,0.345,0.75,1.0,0.5877510108971283,0.5864916729490782,0.4189226235350559,0.3959718319512028,0.49728428483311626
EOS-2-18044,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cscn6)n5)n34)cc2)cc1,ROLJFYOXTXFNDA-UHFFFAOYSA-N,2,1,0.489,12,285,463.526,4.951,6,0.345,0.69,1.0,0.4732797614968131,0.46180008224247826,0.479961962853814,0.49280378315399903,0.47696139743677607
EOS-2-18045,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cscn6)cn5)n34)cc2)cc1,BKPMPLMBCVFFKZ-UHFFFAOYSA-N,2,1,0.482,12,285,463.526,4.951,6,0.345,0.72,1.0,0.5206291549585361,0.5617075594544583,0.47997052977863064,0.4840141182920979,0.5115803406209307
EOS-2-18046,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6nccs6)n5)n34)cc2)cc1,HTBBRQNICYYMMW-UHFFFAOYSA-N,2,1,0.541,12,285,463.526,4.951,6,0.345,0.77,1.0,0.4705726132547461,0.5758858200260435,0.34890514700842984,0.37740730587348364,0.4431927215406758
EOS-2-18047,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccnc6)s5)n34)cc2)cc1,NSOJJNBGHPNTSW-UHFFFAOYSA-N,2,1,0.5,12,285,463.526,4.951,6,0.345,0.75,1.0,0.3972997052977863,0.46610924542526216,0.3448701254197793,0.414947570420122,0.4058066616407374
EOS-2-18048,c1cc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc(-c2nccs2)c1,GZYAOABGIGOCFC-UHFFFAOYSA-N,2,1,0.548,28,120,463.526,4.951,6,0.345,0.67,1.0,0.4057638270166541,0.5201237063943527,0.47615824823521347,0.4467222945651429,0.4621920190528408
EOS-2-18049,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)cc2)c1,PUDMWPZQQNOBFP-UHFFFAOYSA-N,2,1,0.5,41,25,463.526,4.951,6,0.345,0.69,1.0,0.47058118017956274,0.4833630320060311,0.5418922623535056,0.5295987252415872,0.5063587999451717
EOS-2-18050,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)cc2)nc1,BYNLKOHVUMPCTQ-UHFFFAOYSA-N,2,1,0.523,81,120,463.526,4.951,6,0.345,0.72,1.0,0.4445291618120759,0.4572082105407443,0.48694400657939824,0.4686793228702625,0.46434017545062023
EOS-2-18051,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cc5)n34)cc2)cn1,FQSFKKKIFCEYKK-UHFFFAOYSA-N,2,1,0.518,41,190,463.526,4.951,6,0.345,0.72,1.0,0.6359570968405182,0.5337108491535878,0.7004317730107601,0.6472054691248029,0.6293262970324173
EOS-2-18052,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cscn6)c5)n34)cc2)nc1,LEHDFPRNMOAHPG-UHFFFAOYSA-N,2,1,0.512,28,120,463.526,4.951,6,0.345,0.73,1.0,0.6079175519155644,0.4833715989308478,0.5941847714344459,0.5461585909122062,0.5579081282982661
EOS-2-18053,c1cncc(-c2csc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)c1,JZPBKLGDIZAHCD-UHFFFAOYSA-N,2,1,0.53,41,25,463.526,4.951,6,0.345,0.72,1.0,0.3993814680282366,0.5292474813241039,0.4969587416900829,0.4868069357823316,0.4780986567061888
EOS-2-18054,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)nn2)cc1,CUHRVQLUDQDACB-UHFFFAOYSA-N,2,1,0.448,28,363,463.526,4.951,6,0.345,0.78,1.0,0.3379309163182784,0.31695051744225894,0.4412223288328422,0.4560431087656775,0.38803671783976423
EOS-2-18055,c1ccc(-c2ccc(-c3nnc4cncc(OCc5scnc5-c5ccncc5)n34)cc2)nc1,DMOLGSUKXRGYKF-UHFFFAOYSA-N,2,1,0.482,41,120,463.526,4.951,6,0.345,0.74,1.0,0.4855989993831814,0.44410081557124254,0.4556404632992941,0.4433212254129258,0.45716537591666095
EOS-2-18056,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cncs6)c5)n34)cn2)cc1,IUKFKYPKCHPZDT-UHFFFAOYSA-N,2,1,0.465,28,363,463.526,4.951,6,0.345,0.69,1.0,0.5517356589678569,0.49753272565279966,0.5315605510246042,0.5027756836406003,0.5209011548214653
EOS-2-18057,OCc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cc2)n1,JXYYNURFXKYSHS-UHFFFAOYSA-N,2,1,0.322,69,57,463.526,4.531,6,0.401,0.68,1.0,0.15516414227948735,0.2195531492015626,0.5720649715578096,0.533188266739771,0.36999263244465763
EOS-2-18058,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cn2)cc1,DNVIUOKTPKTZQO-UHFFFAOYSA-N,2,1,0.53,28,363,463.526,4.951,6,0.345,0.73,1.0,0.41240319374957163,0.4307792474813241,0.507787334658351,0.4807244191624974,0.45792354876293606
EOS-2-18059,CNCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccco5)n34)ccc2F)s1,WKXZCUVRTXTJLF-UHFFFAOYSA-N,2,1,0.595,4,253,436.472,3.945,5,0.413,0.72,1.0,0.5310893701596875,0.5707456651360427,0.46243403467891164,0.4086080460557878,0.4932192790076074
EOS-2-18060,COc1cc(-c2nnc3cncc(OCc4ccc(F)s4)n23)ccc1-c1cnn(C)c1,XIHYFUUJHHBTJV-UHFFFAOYSA-N,2,1,0.495,4,83,436.472,3.98,5,0.401,0.62,1.0,0.5388595709684052,0.6004814611746967,0.665178877390172,0.5060396819957508,0.5776398978822562
EOS-2-18061,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5csc(C)n5)n34)nc2)nn1,SWRKZXGAJWODCT-UHFFFAOYSA-N,2,1,0.279,76,935,463.53,4.446,6,0.377,0.66,1.0,0.05342334315674046,0.09877664313617984,0.16089541498183813,0.1513261599616202,0.11610539030909466
EOS-2-18062,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(C)cs6)cn5)n34)cc2)nn1,HZWQNKZHXNRLKZ-UHFFFAOYSA-N,2,1,0.31,38,532,463.53,4.446,6,0.377,0.7,1.0,0.07362415187444316,0.1314423274621342,0.1768984305393736,0.1565091494757042,0.1346185148379138
EOS-2-18063,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncc(C)n6)nc5)n34)s2)nc1,AOFAFOFRHOLIDY-UHFFFAOYSA-N,2,1,0.291,86,812,463.53,4.446,6,0.377,0.51,1.0,0.0820454389692276,0.1540590089781372,0.16716640394763896,0.15133472688643684,0.13865139469536014
EOS-2-18064,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncc(C)n6)cc5)n34)s2)nn1,HDYKERFJZDXWEE-UHFFFAOYSA-N,2,1,0.318,38,193,463.53,4.446,6,0.377,0.58,1.0,0.13600849838941814,0.16941950517442259,0.18002535809745734,0.18089061750394078,0.1665859947913097
EOS-2-18065,CN=c1[nH]nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)s1,JMDUMKLGDIYHJL-UHFFFAOYSA-N,2,1,0.338,93,651,463.53,3.897,6,0.425,0.41,0.718,0.08647453909944486,0.08291069837571105,0.180033925022274,0.22951648276334727,0.14473391131519428
EOS-2-18066,CN=c1[nH]nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)s1,JOHZYDULKFDUPS-UHFFFAOYSA-N,2,1,0.292,38,479,463.53,3.897,6,0.425,0.53,0.992,0.04868583373312316,0.032605715852237684,0.22826571174011376,0.22047837708176274,0.13250890960180933
EOS-2-18067,c1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)s5)n34)nc2)nc1,LEBXAKDLGPCAAK-UHFFFAOYSA-N,2,1,0.263,94,165,436.464,3.224,6,0.41,0.62,0.995,0.03542423411692139,0.0987852100609965,0.11625316976218217,0.13007161949146734,0.09513355835789185
EOS-2-18068,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncs6)cn5)n34)cn2)cn1,HXSPKXUKEDVVHF-UHFFFAOYSA-N,2,1,0.277,94,165,436.464,3.224,6,0.41,0.67,1.0,0.0697776026317593,0.13145089438695087,0.21408745116852854,0.22952504968816392,0.16121024946885065
EOS-2-18069,c1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cncs6)nc5)n34)cn2)cn1,HQQOQVHHHHVDRE-UHFFFAOYSA-N,2,1,0.301,86,459,436.464,3.224,6,0.41,0.65,1.0,0.11107018024809814,0.16554725515728874,0.1515317661572202,0.1643393187581386,0.1481221300801864
EOS-2-18070,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)s2)cc1,SCCUCAABVNADPW-UHFFFAOYSA-N,2,1,0.354,69,479,463.541,6.696,6,0.292,0.73,1.0,0.2567593036803509,0.48801487218148176,0.8441762045096293,0.8689089164553492,0.6144648242067028
EOS-2-18071,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)nc2)cc1F,KQPLRWNIOSFYOM-UHFFFAOYSA-N,2,1,0.325,69,479,463.541,6.696,6,0.292,0.77,1.0,0.2729250908094031,0.4441093824960592,0.909970187101638,0.9088907545747379,0.6339738537454596
EOS-2-18072,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5nc(F)ccc5-c5ccccc5)n34)s2)cc1,YXDRUVOQZLZJCZ-UHFFFAOYSA-N,2,1,0.309,93,93,463.541,6.696,6,0.273,0.73,1.0,0.294899252964156,0.37003975053114935,0.7986686998834899,0.8335703515865944,0.5742945137413474
EOS-2-18073,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccc(F)c6)s5)n34)cc2)n1,HVFZPOJTNFQGKZ-UHFFFAOYSA-N,2,1,0.375,93,93,463.541,6.696,6,0.292,0.69,1.0,0.2355989993831814,0.45277911041052704,0.8583030635323144,0.8656363511753821,0.6030793811253512
EOS-2-18074,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)s1,AMJKSCLNRHDZMN-UHFFFAOYSA-N,2,1,0.377,21,107,463.541,6.696,6,0.292,0.73,1.0,0.14975841272016996,0.36040196011239806,0.7288568295524639,0.8235556164759098,0.5156432047152354
EOS-2-18075,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1F,ZMQWCPUNGGQGJL-UHFFFAOYSA-N,2,1,0.329,3,668,436.454,4.184,6,0.414,0.65,1.0,0.031629086423137553,0.20958124871496128,0.6246487560825166,0.6325217599890344,0.3745952128024125
EOS-2-18076,Cn1nc(-c2cccc(F)c2)cc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,CVQWMQQOOPBONC-UHFFFAOYSA-N,2,1,0.357,3,641,436.454,4.388,6,0.443,0.83,1.0,0.11933726269618258,0.30158145432115685,0.6678174902337057,0.6989411280926598,0.44691933383592625
EOS-2-18077,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cc2)cn1,VDIXAQFVHIPHBH-UHFFFAOYSA-N,2,1,0.362,3,150,436.454,4.184,6,0.414,0.78,1.0,0.030326913851004042,0.21956171612637929,0.762739017202385,0.7549602494688507,0.4418969741621548
EOS-2-18078,Cn1ncc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1-c1ccc(F)cc1,WVDCGKCMZQBUCH-UHFFFAOYSA-N,2,1,0.346,3,668,436.454,4.184,6,0.414,0.69,1.0,0.01842745528065246,0.16170927283942158,0.5720735384826263,0.6414227948735521,0.3484082653690631
EOS-2-18079,Cc1nn(-c2ccccc2)cc1-c1cncc2nnc(-c3ccc(-c4n[nH]cc4F)cc3)n12,YFGDYDLJMTZDDE-UHFFFAOYSA-N,2,1,0.314,3,668,436.454,4.482,6,0.44,0.7,1.0,0.04426530052772257,0.20958981563977794,0.5846412171886779,0.6089969844424645,0.3618733294496607
EOS-2-18080,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1-c1ccc(F)cc1,GHMSQUADCUIEBH-UHFFFAOYSA-N,2,1,0.367,9,625,436.454,4.388,6,0.443,0.6,1.0,0.14662291823726956,0.3359519566856281,0.695120279624426,0.7261325474607635,0.47595692550202184
EOS-2-18081,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cc2F)n[nH]1,IFYNRFAPHFHRHK-UHFFFAOYSA-N,2,1,0.317,69,484,436.45,5.556,6,0.391,0.71,1.0,0.3355750119936947,0.3841237749297512,0.8554160098690974,0.8488708793091632,0.6059964190254266
EOS-2-18082,CN1Cc2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)ccc2C1=O,IXNNHBSKLGDGRH-UHFFFAOYSA-N,2,1,0.385,62,3,436.45,4.245,6,0.423,0.82,1.0,0.302635186073607,0.32639983551504353,0.5618189294770749,0.6295233363032006,0.45509432184223153
EOS-2-18083,N#Cc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)cc1,CURRXCALNDIYGB-UHFFFAOYSA-N,2,1,0.659,91,660,436.45,4.486,5,0.39,0.81,1.0,0.9710180933452128,0.9464738537454596,0.8888270166541018,0.8748286615036667,0.9202869063121102
EOS-2-18084,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)o1,ZEZZAOYZNIYXIQ-UHFFFAOYSA-N,2,1,0.414,93,74,436.45,5.258,6,0.377,0.75,1.0,0.22438489479816326,0.3936587622507025,0.8294496607497772,0.8295867315468439,0.5692700123363718
EOS-2-18085,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(F)cc5)nc4)n23)cc1,APOPNTAHSVVSHU-UHFFFAOYSA-N,2,1,0.76,91,660,436.45,4.486,5,0.39,0.82,1.0,0.990173737235282,0.9863871564663148,0.8878246864505517,0.8804828318826674,0.936217103008704
EOS-2-18086,N#Cc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)c(F)c3)n12,MUHLIJUJCAJNEE-UHFFFAOYSA-N,2,1,0.642,91,660,436.45,4.486,5,0.39,0.78,1.0,0.9593071071208279,0.9631536563635118,0.8983448701254197,0.8874905763827017,0.9270740524981153
EOS-2-18087,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccc2F)c1,XMTCBYCHYNIDSE-UHFFFAOYSA-N,2,1,0.584,11,275,436.45,4.486,5,0.39,0.75,1.0,0.9412223288328422,0.9597525872112946,0.8713676238777328,0.867289767664999,0.9099080768967172
EOS-2-18088,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)c(F)c4)n23)cc1,YDBMSJNWFYOXIC-UHFFFAOYSA-N,2,1,0.338,69,867,436.45,5.258,6,0.377,0.69,1.0,0.3379394832430951,0.2863580289219382,0.8199832088273593,0.8089490096634911,0.5633074326639709
EOS-2-18089,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4F)n23)cc1,TZNRZYDIUUXIRN-UHFFFAOYSA-N,2,1,0.329,69,867,436.45,5.258,6,0.377,0.76,1.0,0.3228959632650264,0.34080083613186213,0.8109022685216914,0.8025580837502571,0.5692892879172093
EOS-2-18090,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)s5)n34)cc2)n1,UHRATPCSCCIGNG-UHFFFAOYSA-N,2,1,0.315,38,126,463.551,5.577,6,0.339,0.65,1.0,0.19394661092454252,0.2708090603796861,0.6363511753820849,0.6414313617983689,0.4356345521211706
EOS-2-18091,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)ncc2F)nc1,ZRAHRPLXWKXZJM-UHFFFAOYSA-N,2,1,0.511,18,367,436.447,4.21,5,0.397,0.65,1.0,0.8432424097046124,0.7069769035706943,0.6246573230073333,0.6527996710300871,0.7069190768281818
EOS-2-18092,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)cc1,DWRCNKVTUCSQNK-UHFFFAOYSA-N,2,1,0.524,72,676,436.447,4.826,5,0.38,0.77,1.0,0.7482866150366665,0.6675947501884724,0.8409636077033787,0.8003992186964567,0.7643110479062435
EOS-2-18093,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cn1,DNVUAHULMRVPJI-UHFFFAOYSA-N,2,1,0.518,1,430,436.447,4.826,5,0.38,0.77,1.0,0.7999109039819067,0.706985470495511,0.8657819888972654,0.7913611130148722,0.7910098690973889
EOS-2-18094,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)cc1F,PGCXBLMNXFIGHD-UHFFFAOYSA-N,2,1,0.731,84,360,436.447,4.21,5,0.397,0.7,1.0,0.9014974984579536,0.8979593585086697,0.7814406140771709,0.7576502638612843,0.8346369337262696
EOS-2-18095,Fc1cc(-c2nccs2)cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,FJFNVBOOLPBSRQ-UHFFFAOYSA-N,2,1,0.576,11,595,436.447,4.21,5,0.371,0.71,1.0,0.7241707216777465,0.7206497155780961,0.7183366458775958,0.7043811253512439,0.7168845521211705
EOS-2-18096,Cc1ncsc1COc1cncc2nnc(-c3cc(-c4ccc(F)c(F)c4)ccn3)n12,GOJGSAIDIADZNB-UHFFFAOYSA-N,2,1,0.46,59,153,436.447,4.475,5,0.404,0.68,1.0,0.6566376533479542,0.5865002398738949,0.6763415804262902,0.6849684737166747,0.6511119868412035
EOS-2-18097,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5c(F)cccc5F)c4)n23)n1,PYUNQEFCEYQYAZ-UHFFFAOYSA-N,2,1,0.575,4,92,436.447,4.475,5,0.404,0.78,1.0,0.627501542046467,0.6100250154204647,0.6187804125830991,0.6266105818655335,0.6207293879788911
EOS-2-18098,Fc1cccc(F)c1CCOc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,HUSBWPGQSNRCCS-UHFFFAOYSA-N,2,1,0.56,84,749,436.447,4.21,5,0.397,0.76,1.0,0.7715543828387362,0.677352477554657,0.7029932835309437,0.7101809334521281,0.7155202693441163
EOS-2-18099,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5csc(F)c5)n34)ccn2)cn1,HOEIHHIYEMFBOY-UHFFFAOYSA-N,2,1,0.524,75,525,436.447,4.21,5,0.371,0.65,1.0,0.85011308340758,0.8189980124734425,0.7466160646974163,0.7209752587211294,0.7841756048248921
EOS-2-18100,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccs5)c4)n23)cn1,LFFSEEROQBKRNA-UHFFFAOYSA-N,2,1,0.489,27,430,436.447,4.826,5,0.38,0.64,1.0,0.8237269549722431,0.7571533822219176,0.8457610856007127,0.772668083064903,0.7998273764649441
EOS-2-18101,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccsc5)c4)n23)cn1,NEZACBKTMSAXOG-UHFFFAOYSA-N,2,1,0.524,2,419,436.447,4.826,5,0.38,0.7,1.0,0.7390257693098485,0.6627458707422383,0.8713761908025495,0.8067901446096909,0.7699844938660818
EOS-2-18102,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccsc5)ncn4)n23)cc1,BJSRQMQTAZTXJN-UHFFFAOYSA-N,2,1,0.517,27,343,436.447,4.826,5,0.38,0.67,1.0,0.7270920430402302,0.6822099239257077,0.8699883489822493,0.8195634295113426,0.7747134363648824
EOS-2-18103,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)cn4)n23)cc1,XEJQNIMUSLKTNC-UHFFFAOYSA-N,2,1,0.525,27,969,436.447,4.826,5,0.38,0.69,1.0,0.8361575628812281,0.7656432047152354,0.8441847714344459,0.8004077856212733,0.8115983311630457
EOS-2-18104,Cc1nnc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)s1,LRHCOXBRFCNKBD-UHFFFAOYSA-N,2,1,0.549,43,80,436.447,4.475,5,0.404,0.79,1.0,0.6079261188403811,0.6822184908505243,0.6187889795079159,0.6820899869782743,0.6477558940442739
EOS-2-18105,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)s1,AZMOAVUCVKVWBG-UHFFFAOYSA-N,2,1,0.523,43,178,436.447,4.475,5,0.404,0.71,1.0,0.7829997943938044,0.729884860530464,0.705434857103694,0.6989496950174765,0.7293173017613597
EOS-2-18106,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)n1,NSQFKNMMXAMPPZ-UHFFFAOYSA-N,2,1,0.549,4,92,436.447,4.475,5,0.378,0.72,1.0,0.6330700431773011,0.6872387087930917,0.689680282365842,0.6760074703584401,0.6714991261736687
EOS-2-18107,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cc1,SGFVHPKHLHJDMM-UHFFFAOYSA-N,2,1,0.605,1,676,436.447,4.826,5,0.38,0.69,1.0,0.6693595367007059,0.702136591049277,0.8753940785415667,0.8195719964361593,0.7666155506819272
EOS-2-18108,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)s5)n34)c2)nc1,FYWGLSWEVRDHHO-UHFFFAOYSA-N,2,1,0.474,87,173,436.447,4.21,5,0.397,0.64,1.0,0.8784182030018505,0.7741415941333699,0.6816359399629909,0.6904770063737921,0.7561681858680008
EOS-2-18109,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,IUAMWGPLLVZIQO-UHFFFAOYSA-N,2,1,0.595,75,559,436.447,4.21,5,0.397,0.68,1.0,0.777337057089987,0.7069940374203276,0.7211894318415462,0.7182681104790625,0.7309471592077308
EOS-2-18110,Cc1snnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)c(F)c1,MWFSJTNBIIIXFF-UHFFFAOYSA-N,2,1,0.645,43,909,436.447,4.475,5,0.404,0.73,1.0,0.7999194709067233,0.8152799671030087,0.7313840723733809,0.7549688163936673,0.775388081694195
EOS-2-18111,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccsc5)cn4)n23)cc1,DIVNUODEYBLCSQ-UHFFFAOYSA-N,2,1,0.518,27,343,436.447,4.826,5,0.38,0.69,1.0,0.7859296826811047,0.6970307038585429,0.8508926735658968,0.80041635254609,0.7835673531629086
EOS-2-18112,Cc1csc(COc2cncc3nnc(-c4cccc(-c5cnc(F)c(F)c5)c4)n23)n1,NVUKLBMCTZZJRR-UHFFFAOYSA-N,2,1,0.56,4,92,436.447,4.475,5,0.378,0.8,1.0,0.5105287505996847,0.5662137619080255,0.6678260571585224,0.6442927146871359,0.5972153210883422
EOS-2-18113,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)s4)n23)cn1,YHFLTLGHQQFWJA-UHFFFAOYSA-N,2,1,0.518,1,430,436.447,4.826,5,0.38,0.73,1.0,0.6964053183469262,0.6480964293057364,0.7004403399355768,0.6385186073607018,0.6708651737372353
EOS-2-18114,FC(F)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)cs4)n23)cn1,VQQGRJMJABJZHA-UHFFFAOYSA-N,2,1,0.512,1,700,436.447,4.826,5,0.38,0.74,1.0,0.5337279830032212,0.672477897333973,0.6841460489342746,0.6357686244945514,0.6315301384415051
EOS-2-18115,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)ncn2)cc1F,GGOWKTYHWCXHJY-UHFFFAOYSA-N,2,1,0.522,44,130,436.447,4.21,5,0.397,0.71,0.984,0.8546878212596807,0.7483637173600165,0.6951288465492427,0.715569529161812,0.753437478582688
EOS-2-18116,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cscn5)c4)n23)cc1,UFHWFWAYEYVHDT-UHFFFAOYSA-N,2,1,0.55,24,805,436.447,4.826,5,0.38,0.72,1.0,0.8784267699266671,0.7393684463025153,0.8791720923857173,0.8254746076348434,0.8306104790624358
EOS-2-18117,FC(F)c1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccc4)n23)cn1,DTOFOAGUJPBGSL-UHFFFAOYSA-N,2,1,0.494,1,700,436.447,4.826,5,0.38,0.66,1.0,0.7087245562332944,0.6724864642587897,0.6977760263175931,0.6528082379549037,0.6829488211911452
EOS-2-18118,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ncn2)c(F)c1,GIYGDAUJVGQAAZ-UHFFFAOYSA-N,2,1,0.517,44,130,436.447,4.21,5,0.397,0.73,0.999,0.7302618052223974,0.6577684874237544,0.715646631485162,0.7370553766020149,0.7101830751833322
EOS-2-18119,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)s1,WSBOYBQEFWAQEV-UHFFFAOYSA-N,2,1,0.561,43,178,436.447,4.475,5,0.404,0.74,1.0,0.8966486190117195,0.8373912000548284,0.7261839490096635,0.7072681790144609,0.7918729867726682
EOS-2-18120,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5csc(F)n5)nc4)n23)c1,PGTIJMZQPOVSJG-UHFFFAOYSA-N,2,1,0.622,11,56,436.447,4.21,5,0.397,0.73,1.0,0.8546963881844973,0.8745031183606332,0.667834624083339,0.6643307518333219,0.7653412206154478
EOS-2-18121,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)sn1,NGYLDUXNOJCRSP-UHFFFAOYSA-N,2,1,0.649,59,294,436.447,4.475,5,0.404,0.7,1.0,0.730270372147214,0.7828284558974711,0.7604602152011514,0.7315725447193475,0.7512828969912959
EOS-2-18122,Fc1cnc(F)c(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)c1,LZSYLWPXISSHIO-UHFFFAOYSA-N,2,1,0.43,18,840,436.447,4.21,5,0.371,0.65,1.0,0.7302789390720307,0.5758943869508601,0.7130765540401618,0.7043896922760606,0.6809098930847783
EOS-2-18123,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncs5)c4)n23)cc1,VTTUROOZVJPISS-UHFFFAOYSA-N,2,1,0.577,97,91,436.447,4.826,5,0.38,0.71,1.0,0.8966571859365362,0.7115859091220615,0.9071773696114043,0.862415187444315,0.8444589130285792
EOS-2-18124,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)sn1,QGOGFWWQGRAVBC-UHFFFAOYSA-N,2,1,0.662,59,294,436.447,4.475,5,0.404,0.72,1.0,0.759800561990268,0.6921561236378589,0.7676478651223357,0.7396597217462819,0.7398160681241861
EOS-2-18125,CCOc1nnc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccc5F)cc4)n23)s1,VUXNKSOJXLCMPH-UHFFFAOYSA-N,2,1,0.363,45,574,436.447,4.654,5,0.399,0.66,0.985,0.5261805222397368,0.7298934274552806,0.5781817558769105,0.6472140360496196,0.6203674354053869
EOS-2-18126,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncs5)n34)c2)cc1F,WAZCOHYAPGKNDY-UHFFFAOYSA-N,2,1,0.566,35,884,436.447,4.21,5,0.397,0.75,1.0,0.7598091289150847,0.7828370228222877,0.7627475841272017,0.7800527722568706,0.7713616270303612
EOS-2-18127,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)s1,QPWPPPBBMALRMG-UHFFFAOYSA-N,2,1,0.662,59,294,436.447,4.475,5,0.404,0.76,1.0,0.843250976629429,0.7299019943800973,0.7743814680282366,0.7343053937358646,0.7704599581934068
EOS-2-18128,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cn1,GRJQIGJKVZRIKQ-UHFFFAOYSA-N,2,1,0.57,27,69,436.447,4.826,5,0.38,0.63,1.0,0.5993163593996299,0.6532794188198204,0.8409721746281955,0.7655832362415187,0.7147877972722911
EOS-2-18129,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)cn2)cn1,VEHOHSDDGZBWIF-UHFFFAOYSA-N,2,1,0.279,99,286,436.443,1.839,6,0.406,0.67,1.0,0.04427386745253924,0.04231204166952231,0.06571688026865877,0.05798094715920773,0.05257093413748201
EOS-2-18130,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nncn6C)cn5)n34)cc2)nn1,WTKBIBUYGMLGFN-UHFFFAOYSA-N,2,1,0.306,98,167,436.443,1.839,6,0.406,0.69,1.0,0.050219313275306696,0.042320608594338976,0.056053389075457476,0.05947159207730793,0.05201622575560277
EOS-2-18131,Cn1cc(-c2cncc(-c3cncc4nnc(-c5cnc(-c6nncn6C)nc5)n34)c2)cn1,JVYNWFBGMQJLHI-UHFFFAOYSA-N,2,1,0.25,99,780,436.443,1.839,6,0.406,0.68,1.0,0.048694400657939826,0.018495990679185798,0.06572544719347544,0.06572544719347544,0.04966032143101913
EOS-2-18132,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccnn6C)c5)n34)cc2)n1,BVJAFKQKZLOZJG-UHFFFAOYSA-N,2,1,0.289,98,63,436.443,1.839,6,0.406,0.68,1.0,0.057038585429374275,0.042329175519155646,0.07635700089096017,0.07101980673017613,0.06168614214241656
EOS-2-18133,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnn(C)c6)n5)n34)cc2)n[nH]1,GMPVLWCOGBQAOJ-UHFFFAOYSA-N,2,1,0.279,98,882,436.443,2.137,6,0.44,0.68,1.0,0.05191556438900692,0.05712425467754095,0.06376362141045851,0.0564731683914742,0.057319152217120146
EOS-2-18134,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5nnnn5C)cn4)n23)cc1,MVQNVGVTEOFQBE-UHFFFAOYSA-N,2,1,0.296,98,167,436.443,1.839,6,0.406,0.71,1.0,0.09630080186416284,0.07604002467274347,0.056061956000274145,0.06740456445754232,0.0739518367486807
EOS-2-18135,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)n1,VKCSYALBRLIIHX-UHFFFAOYSA-N,2,1,0.241,99,813,436.443,1.839,6,0.406,0.55,0.99,0.028116647248303747,0.010802892193818107,0.04694674799533959,0.04705811801795627,0.03323110136385443
EOS-2-18136,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)n1C,OKZFLPYOIFBHFO-UHFFFAOYSA-N,2,1,0.295,98,882,436.443,2.137,6,0.44,0.57,0.999,0.07363271879925981,0.035569871838804744,0.028999040504420533,0.0327856212733877,0.042746813103968204
EOS-2-18137,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)cn5)n34)cc2)n[nH]1,YVYHPGYUIDXZLV-UHFFFAOYSA-N,2,1,0.289,98,167,436.443,2.137,6,0.44,0.63,1.0,0.03836268932903845,0.07246761702419299,0.06185319717634158,0.055068192721540676,0.05693792406277842
EOS-2-18138,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5cc(-c6nncn6C)ccn5)n34)c2)n1,SCULSHDFWYYDPB-UHFFFAOYSA-N,2,1,0.271,98,765,436.443,1.839,6,0.406,0.65,1.0,0.020457816462202728,0.015420464670002056,0.04208930162428894,0.04981666780892331,0.03194606264135426
EOS-2-18139,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cc1,WECPMIZVCIGKKD-UHFFFAOYSA-N,2,1,0.369,25,508,436.443,1.839,6,0.406,0.77,1.0,0.12195017476526626,0.06510006168185868,0.04520766225755603,0.06741313138235899,0.07491775752175998
EOS-2-18140,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)n1,YFWUWXDXZXGAAP-UHFFFAOYSA-N,2,1,0.337,25,508,436.443,1.839,6,0.406,0.75,1.0,0.10619560002741416,0.06510862860667535,0.04695531492015626,0.0594801590021246,0.06943492563909259
EOS-2-18141,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cn2)n1,FCTLMLHFIMUDOP-UHFFFAOYSA-N,2,1,0.321,98,167,436.443,1.839,6,0.406,0.7,1.0,0.12480296072921664,0.04597011856623946,0.03780583921595504,0.03810568158453841,0.06167115002398739
EOS-2-18142,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)nn1,DGTODCQKYHMWGE-UHFFFAOYSA-N,2,1,0.291,86,812,436.443,1.839,6,0.406,0.64,1.0,0.050227880200123365,0.02478411349461997,0.04357137961757248,0.034995887876088,0.038394815297100954
EOS-2-18143,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1,HALLCJAISGVNRY-UHFFFAOYSA-N,2,1,0.367,56,425,436.439,3.164,6,0.437,0.64,1.0,0.44237029675827566,0.30673017613597425,0.2568621067781509,0.1890805976286752,0.298760794325269
EOS-2-18144,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)cn5)n34)cc2)o1,GSKMMNCEEWHBDI-UHFFFAOYSA-N,2,1,0.293,98,167,436.439,3.007,6,0.41,0.66,1.0,0.07565451305599342,0.092479953395929,0.1640651771640052,0.14135425947501884,0.11838847577273662
EOS-2-18145,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)nn5)n34)cc2)o1,OUIYOEHBLFQITG-UHFFFAOYSA-N,2,1,0.316,98,63,436.439,3.007,6,0.41,0.68,1.0,0.10374545952984716,0.10197210609279693,0.11905455417723254,0.10120108285929683,0.10649330066479337
EOS-2-18146,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)nn5)n34)cc2)o1,YPKPCNNRYYXKQY-UHFFFAOYSA-N,2,1,0.289,98,63,436.439,3.007,6,0.41,0.62,1.0,0.08419573709821122,0.08948152971009526,0.15441881982043726,0.14136282639983552,0.11736472825714481
EOS-2-18147,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)n(C)n1,WLJVIHLYYOCCHP-UHFFFAOYSA-N,2,1,0.307,98,63,436.439,3.007,6,0.41,0.68,1.0,0.12195874169008293,0.07604859159756014,0.09738880131587965,0.08925022274004524,0.096161589335892
EOS-2-18148,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cn(C)nn6)cnn5)n34)cc2)o1,PKNHVLNYFQOFNI-UHFFFAOYSA-N,2,1,0.268,98,303,436.439,3.007,6,0.41,0.7,1.0,0.060516756904941404,0.05334624083339044,0.20726817901446096,0.18089918442875746,0.12550759029538755
EOS-2-18149,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccnn6C)n5)n34)cc2)o1,DQRMSJHTDXJKNN-UHFFFAOYSA-N,2,1,0.282,98,303,436.439,3.007,6,0.41,0.63,1.0,0.08420430402302789,0.06869817010485917,0.13026009183743403,0.1169899252964156,0.10003812281543417
EOS-2-18150,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)o1,XIXUJKGOXJAZHB-UHFFFAOYSA-N,2,1,0.32,25,791,436.439,3.007,6,0.41,0.79,1.0,0.09379925981769584,0.08638030292646151,0.10777191419368104,0.12158179699814954,0.10238331848399698
EOS-2-18151,c1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)nn1,RMALAHJYFURUMA-UHFFFAOYSA-N,2,1,0.489,40,763,436.439,2.736,6,0.423,0.66,1.0,0.3795319032280173,0.2248475087382633,0.31563977794530873,0.27355904324583646,0.29839455828935646
EOS-2-18152,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cncn6C)c5)n34)cc2)o1,AXKALRFXJHVFBI-UHFFFAOYSA-N,2,1,0.282,98,424,436.439,3.007,6,0.41,0.67,1.0,0.08421287094784456,0.05335480775820711,0.18331505722705776,0.15651771640052087,0.11935011308340758
EOS-2-18153,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ncn(C)n6)cn5)n34)cc2)o1,FLTLEJHMZHGLLP-UHFFFAOYSA-N,2,1,0.307,98,167,436.439,3.007,6,0.41,0.66,1.0,0.13328421629771778,0.12484579535329998,0.12202727708861627,0.10338564868754711,0.1208857343567953
EOS-2-18154,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)c1,KMYIVKKYXDCRGB-UHFFFAOYSA-N,2,1,0.518,77,499,436.439,2.736,6,0.423,0.76,1.0,0.46086628743746144,0.28636659584675483,0.3639315331368652,0.3193578233157426,0.35763055993420606
EOS-2-18155,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccon6)n5C)n34)cc2)n1,PLMTWWQVZWXQPO-UHFFFAOYSA-N,2,1,0.315,8,474,436.439,3.007,6,0.41,0.7,1.0,0.058700568843807824,0.03557843876362141,0.05607052292509081,0.07498629292029334,0.05633395586320335
EOS-2-18156,Cn1nc(-c2cccnn2)cc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,UTJNBIWTLKJGAM-UHFFFAOYSA-N,2,1,0.347,67,622,436.439,3.164,6,0.437,0.56,1.0,0.4079740936193544,0.3264084024398602,0.23922280858063188,0.20889589472962786,0.29562529984236857
EOS-2-18157,c1cnc(-n2cccn2)c(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1,SLGCIPPDSUAHRS-UHFFFAOYSA-N,2,1,0.452,40,2,436.439,2.736,6,0.423,0.52,1.0,0.3841837434034679,0.20004626139401,0.23923137550544857,0.21511548214652867,0.2596442156123638
EOS-2-18158,Cn1nnc(-c2cccc(-c3nnc4cncc(OCc5cc6ccccc6nn5)n34)c2)n1,QQOCWHOBNSXJMF-UHFFFAOYSA-N,2,1,0.463,67,807,436.439,2.504,6,0.401,0.64,1.0,0.32807038585429377,0.2809351655129875,0.10778048111849771,0.12804125830991708,0.211206822698924
EOS-2-18159,c1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc(-c2c[nH]nn2)c1,WQZDLSDDBIWFPW-UHFFFAOYSA-N,2,1,0.494,77,611,436.439,2.94,6,0.407,0.64,1.0,0.6245630868343499,0.4441179494208759,0.4010605852923035,0.3544051127407306,0.45603668357206495
EOS-2-18160,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)cn1,PABYNXUZQIKNSJ-UHFFFAOYSA-N,2,1,0.372,67,622,436.439,3.164,6,0.437,0.65,1.0,0.4193766705503392,0.3359605236104448,0.3228959632650264,0.2619422931944349,0.3350438626550613
EOS-2-18161,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)no2)n1C,VMAOBSWTDHUHPT-UHFFFAOYSA-N,2,1,0.299,98,725,436.439,3.007,6,0.41,0.7,1.0,0.0717222945651429,0.06870673702967582,0.09268555959152902,0.11237235282023166,0.08637173600164486
EOS-2-18162,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnn(C)c6)n5)n34)cc2)o1,BROOVNOZMPBJTC-UHFFFAOYSA-N,2,1,0.282,98,303,436.439,3.007,6,0.41,0.69,1.0,0.09855390309094647,0.08949009663491193,0.17028476458090605,0.14640017819203618,0.12618223562470016
EOS-2-18163,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)nn6)nc5)n34)cc2)o1,UBAGAMXBOLSGSZ-UHFFFAOYSA-N,2,1,0.282,98,424,436.439,3.007,6,0.41,0.71,1.0,0.06772154067575903,0.06511719553149202,0.13946096909053526,0.12159036392296621,0.09847251730518813
EOS-2-18164,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)nc2)c1,CYKZILKNDBSYJW-UHFFFAOYSA-N,2,1,0.426,6,547,436.439,2.736,6,0.423,0.57,1.0,0.31560551024604205,0.26027174285518473,0.25687067370296757,0.2089044616544445,0.2604130971146597
EOS-2-18165,COc1ncc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(-n2cccc2)n1,UJDHQQUNZGDEDT-UHFFFAOYSA-N,2,1,0.295,42,7,436.439,2.833,6,0.437,0.65,1.0,0.179956822698924,0.12834966760331712,0.15763998355150435,0.12386059899938318,0.14745176821328215
EOS-2-18166,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c1,UWHKITFTKXHJKI-UHFFFAOYSA-N,2,1,0.517,56,425,436.439,2.736,6,0.423,0.66,1.0,0.40358782811322047,0.20959838256459462,0.27901617435405385,0.2204869440065794,0.2781723322596121
EOS-2-18167,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(C)[nH]n6)cn5)n34)cn2)n1,VWHOAEQKYMOLNF-UHFFFAOYSA-N,2,1,0.282,70,968,436.439,3.305,6,0.441,0.65,0.979,0.21600644232746213,0.17397710917688985,0.12460592145843329,0.10339421561236378,0.15449592214378727
EOS-2-18168,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6noc(C)n6)n5)n34)nc2)n[nH]1,TXQRMOBOAFBQMV-UHFFFAOYSA-N,2,1,0.269,76,387,436.439,3.305,6,0.441,0.62,0.731,0.10868857514906449,0.12485436227811665,0.08331334384209445,0.07499485984510999,0.09796278527859639
EOS-2-18169,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cn1,KUWZAJMXIHCFHP-UHFFFAOYSA-N,2,1,0.276,98,725,436.439,3.182,6,0.4,0.74,1.0,0.1360170653142348,0.07247618394900966,0.09269412651634569,0.1012096497841135,0.10059925639092591
EOS-2-18170,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)c1,OKJZWWHRVBGBRX-UHFFFAOYSA-N,2,1,0.438,81,763,436.439,2.736,6,0.423,0.59,1.0,0.36573058734836544,0.2863751627715715,0.2212065656911795,0.20308751970392708,0.26909995887876087
EOS-2-18171,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)cc2)no1,XMDPSDSHJPFWKJ-UHFFFAOYSA-N,2,1,0.312,9,508,436.439,3.007,6,0.41,0.75,1.0,0.17409704612432322,0.10865430744979782,0.11041052703721473,0.10746350490028099,0.12515634637790418
EOS-2-18172,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccn6)o5)n34)cn2)n(C)n1,VSXLQDKLIFMVIC-UHFFFAOYSA-N,2,1,0.29,70,968,436.439,3.007,6,0.41,0.62,0.999,0.0889932149955452,0.04597868549105613,0.03781440614077171,0.036983414433554934,0.052442430265231994
EOS-2-18173,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6conn6)cn5)n34)nc2)cn1,KSORWYIHCLSHPV-UHFFFAOYSA-N,2,1,0.24,70,813,436.439,3.182,6,0.4,0.64,1.0,0.020466383387019397,0.020235076416969363,0.1898516208621753,0.16979644986635598,0.10008738263313001
EOS-2-18174,Cc1cc(-c2nc(C)[nH]c2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)ccn1,IYRGKNIBNSTCTK-UHFFFAOYSA-N,2,1,0.236,70,968,436.439,3.305,6,0.441,0.63,0.033,0.06235007881570832,0.060987937769858135,0.13313857857583442,0.11466828867109863,0.09278622095812487
EOS-2-18175,CCn1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)cn2)cn1,WNKYMVGIZGCIRA-UHFFFAOYSA-N,2,1,0.263,86,780,436.439,3.182,6,0.4,0.71,1.0,0.0677301076005757,0.057132821602357615,0.11906312110204921,0.10534747447056404,0.08731838119388664
EOS-2-18176,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)c(-c2nnco2)n1,VWPBSHOUKUHMHY-UHFFFAOYSA-N,2,1,0.267,70,714,436.439,3.007,6,0.41,0.7,1.0,0.05192413131382359,0.0459872524158728,0.14529504489068604,0.12804982523473374,0.09281406346377905
EOS-2-18177,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)cn2)n1,YWRRHZRNCHTINO-UHFFFAOYSA-N,2,1,0.31,98,725,436.439,3.007,6,0.41,0.65,1.0,0.1466314851620862,0.0958296209992461,0.1331471455006511,0.11920875882393256,0.123704252621479
EOS-2-18178,Cn1cnnc1-c1cncc(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,LTGINFKACJAYKO-UHFFFAOYSA-N,2,1,0.387,67,622,436.439,3.164,6,0.437,0.6,1.0,0.4445377287368926,0.3219107669111096,0.2900075388938387,0.264932149955452,0.3303470461243232
EOS-2-18179,Cc1ncncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C#N)nc4)n23)nn1,XIEZVPINLXTFEO-UHFFFAOYSA-N,2,1,0.456,31,466,436.439,2.235,5,0.389,0.69,0.353,0.6662583099170721,0.4618086491672949,0.2002347337399767,0.16434788568295525,0.37316239462682477
EOS-2-18180,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc1,YAVGEXNBLFTEBS-UHFFFAOYSA-N,2,1,0.356,67,622,436.439,3.164,6,0.437,0.66,1.0,0.4329895140840244,0.3118788979507916,0.2568792406277843,0.2232283599479131,0.30624400315262834
EOS-2-18181,CCn1nncc1-c1nccc(-c2cncc3nnc(-c4ocnc4-c4ccccc4)n23)n1,RMAJFLZYLZMGQP-UHFFFAOYSA-N,2,1,0.292,10,342,436.439,3.182,6,0.4,0.59,0.969,0.024587074223836613,0.022453909944486327,0.024604208073469948,0.039424988006305256,0.027767545062024536
EOS-2-18182,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)nc2)c1,PAVBYAKBBZRRHA-UHFFFAOYSA-N,2,1,0.484,40,932,436.439,2.736,6,0.423,0.56,1.0,0.2542748954835172,0.20005482831882668,0.33025495168254404,0.27964155986567063,0.2660565588376397
EOS-2-18183,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnco6)c5)n34)cc2)n1C,AHWSTKIIMZHVHD-UHFFFAOYSA-N,2,1,0.315,98,725,436.439,3.007,6,0.41,0.67,1.0,0.1219673086148996,0.05336337468302378,0.11626173668699884,0.11921732574874923,0.10270243643341787
EOS-2-18184,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnn(C)n6)c5)n34)cc2)o1,YDWALRPCHMELAV-UHFFFAOYSA-N,2,1,0.287,42,303,436.439,3.007,6,0.41,0.7,1.0,0.15253409636077034,0.1052789390720307,0.1640737440888219,0.14862757864436982,0.14262858954149818
EOS-2-18185,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(-n6cccn6)cn5)n34)cc2)n[nH]1,TXLJRAGDUKWVLS-UHFFFAOYSA-N,2,1,0.364,56,622,436.439,3.258,6,0.437,0.69,1.0,0.31561407717085876,0.27081762730450276,0.22827427866493044,0.16701219930093894,0.24542954561030772
EOS-2-18186,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,UFCRJFRXLVUEEL-UHFFFAOYSA-N,2,1,0.438,56,425,436.439,3.164,6,0.437,0.6,1.0,0.3610273456240148,0.29172092385717224,0.3411692138989788,0.2619508601192516,0.31396708587485433
EOS-2-18187,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)cn5)n34)cc2)n1,XVPUYWVCSQJYJL-UHFFFAOYSA-N,2,1,0.307,38,725,436.439,3.007,6,0.41,0.73,1.0,0.1466400520869029,0.10528750599684737,0.14236515660338564,0.11238091974504832,0.12666840860804607
EOS-2-18188,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ocnc3-c3ccccc3)n12,YBGXNTVHFKKMCU-UHFFFAOYSA-N,2,1,0.304,8,474,436.439,3.182,6,0.4,0.57,0.956,0.08648310602426153,0.04599581934068946,0.013775615105201837,0.03279418819820437,0.0447621821670893
EOS-2-18189,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)c1,MALPBRIHWAXIBZ-UHFFFAOYSA-N,2,1,0.5,56,932,436.439,2.736,6,0.423,0.62,1.0,0.3181498869165924,0.22988486053046397,0.28293125899527105,0.2295336166129806,0.265124905763827
EOS-2-18190,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)o1,YLIQLMQWTWWBLB-UHFFFAOYSA-N,2,1,0.315,98,882,436.439,3.007,6,0.41,0.7,1.0,0.07992084161469398,0.057141388527174285,0.10778904804331438,0.09703755739839627,0.08547220889589473
EOS-2-18191,c1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)cn1,HCKOGOCVEGEXAK-UHFFFAOYSA-N,2,1,0.484,56,425,436.439,2.736,6,0.423,0.63,1.0,0.37729593585086696,0.2708261942293194,0.3411777808237955,0.26494071688026866,0.31356015694606265
EOS-2-18192,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)cn5)n34)nc2)no1,RHSDSUGVQFZITF-UHFFFAOYSA-N,2,1,0.273,70,652,436.439,3.007,6,0.41,0.66,1.0,0.05704715235419094,0.08638886985127818,0.11318621067781509,0.09307963813309575,0.08742546775409499
EOS-2-18193,c1cc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)nc(-n2cccn2)c1,FPJNKYNFBJSVSW-UHFFFAOYSA-N,2,1,0.458,81,932,436.439,2.736,6,0.423,0.61,1.0,0.2650435199780687,0.19081111644164211,0.2535381399492838,0.22049551093139608,0.2324720718250977
EOS-2-18194,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)nc1,PBMZTACNOZBXBI-UHFFFAOYSA-N,2,1,0.387,6,318,436.435,4.034,6,0.398,0.77,1.0,0.45192241792886023,0.24536529367418272,0.337476869302995,0.26805907751353575,0.3257059146048934
EOS-2-18195,c1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc(-c2cnoc2)c1,GVBQDJOSWKMAQK-UHFFFAOYSA-N,2,1,0.518,77,190,436.435,3.81,6,0.418,0.61,1.0,0.6275101089712837,0.39366732917551917,0.5685610993077925,0.5027842505654171,0.5231306970050031
EOS-2-18196,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5)n34)cc2)cn1,FIXRAGLIJZLVLH-UHFFFAOYSA-N,2,1,0.506,67,722,436.435,4.034,6,0.398,0.69,1.0,0.4147076965252553,0.30159002124597356,0.5385340278253719,0.4497292851757933,0.4261402576930985
EOS-2-18197,c1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)cn5)n34)cc2)c1,XEYGEDHJZUITKI-UHFFFAOYSA-N,2,1,0.522,40,932,436.435,3.606,6,0.39,0.67,1.0,0.32290453018984305,0.22989342745528066,0.46962168460009596,0.40513844150503736,0.35688952093756426
EOS-2-18198,c1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)cn1,RTPXINYTKDVEJD-UHFFFAOYSA-N,2,1,0.494,77,933,436.435,3.606,6,0.39,0.69,1.0,0.5361866904256049,0.3169590843670756,0.5519926667123569,0.4593842094441779,0.46613066273730386
EOS-2-18199,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnc(C)o6)c5)n34)cc2)o1,PQTHMFGGZQXHQH-UHFFFAOYSA-N,2,1,0.297,42,303,436.435,4.175,6,0.401,0.76,1.0,0.1996436159276266,0.13882701665410185,0.3117932287026249,0.2527928174902337,0.22576416969364677
EOS-2-18200,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccoc6)cn5)n34)cc2)n[nH]1,ZPGJYPYWUKKTPB-UHFFFAOYSA-N,2,1,0.548,40,425,436.435,3.81,6,0.418,0.63,1.0,0.4658094030566788,0.35569015146323074,0.48695257350421495,0.4245767939140566,0.4332572304845453
EOS-2-18201,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)c1,QAOVONQQEXPIIJ-UHFFFAOYSA-N,2,1,0.54,40,932,436.435,3.606,6,0.39,0.61,1.0,0.3156226440956754,0.2299019943800973,0.40106915221712014,0.31936639024055924,0.316490045233363
EOS-2-18202,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)nc2)no1,JDHYGIHRKBKFKI-UHFFFAOYSA-N,2,1,0.303,38,303,436.435,4.175,6,0.401,0.71,1.0,0.22994482900418067,0.17819203618669044,0.2461705846069495,0.19705640463299295,0.21284096360770338
EOS-2-18203,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnoc6)cn5)n34)cc2)n[nH]1,FRCCPSSWQHGSMX-UHFFFAOYSA-N,2,1,0.529,40,592,436.435,3.81,6,0.418,0.62,1.0,0.49538242752381606,0.3795319032280173,0.5486515660338565,0.47475327256528,0.4745797923377424
EOS-2-18204,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)nc2)c1,JCKJFUVYMNWDMW-UHFFFAOYSA-N,2,1,0.54,40,932,436.435,3.606,6,0.39,0.59,1.0,0.3132067712973751,0.22485607566307997,0.44123089575765884,0.36769241313138235,0.33674653896237405
EOS-2-18205,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cc2)cn1,DSWIJXYAEHOHHQ-UHFFFAOYSA-N,2,1,0.541,41,722,436.435,4.034,6,0.398,0.72,1.0,0.44005722705777534,0.2917294907819889,0.5214772805153862,0.4371444726201083,0.42260211774381473
EOS-2-18206,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)o6)cn5)n34)cc2)o1,ZVMCQTHUWUXGDE-UHFFFAOYSA-N,2,1,0.297,38,303,436.435,4.175,6,0.401,0.73,1.0,0.18564526077719143,0.15774278664930436,0.2640411897745185,0.21207422383661162,0.2048758652594065
EOS-2-18207,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)cc5)n34)cc2)n[nH]1,DEOVACVNWCQAOL-UHFFFAOYSA-N,2,1,0.512,77,611,436.435,3.81,6,0.418,0.7,1.0,0.6390497566993352,0.43966314851620864,0.5284593242409704,0.45939277636899456,0.5166412514563772
EOS-2-18208,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6ccco6)n5)n34)cc2)c1,JARLPAQYFRSYGC-UHFFFAOYSA-N,2,1,0.433,40,25,436.435,3.606,6,0.39,0.65,1.0,0.3132153382221918,0.23471660612706463,0.29355424576793915,0.29447947364813926,0.2839914159413337
EOS-2-18209,N#Cc1ccc(COc2cncc3nnc(-c4cccc(-c5cnc(CO)cn5)c4)n23)cn1,GKIGZYHGRBPNEE-UHFFFAOYSA-N,2,1,0.552,89,214,436.435,2.586,5,0.426,0.61,0.994,0.5361952573504215,0.4527876773353437,0.5653399355767253,0.45605167569049415,0.5025936364882462
EOS-2-18210,c1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)o2)cc1,JXDFKOFKJHTTIP-UHFFFAOYSA-N,2,1,0.452,12,937,436.435,3.81,6,0.418,0.63,1.0,0.5206377218833528,0.5065622644095675,0.2829398259200877,0.28843122472757177,0.3996427592351449
EOS-2-18211,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(=O)[nH]c5)nn4)n23)cc1,HNRYCLGUEZKUBC-UHFFFAOYSA-N,2,1,0.523,19,54,436.435,2.43,5,0.429,0.72,0.997,0.6786032485778904,0.46181721609211157,0.5077959015831677,0.4807329860873141,0.532237338085121
EOS-2-18212,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)nc5)n34)cc2)c1,DKWJSUNJNVAZNF-UHFFFAOYSA-N,2,1,0.444,28,603,436.435,3.606,6,0.39,0.64,1.0,0.41027002947022134,0.2708347611541361,0.4412394626824755,0.3959803988760195,0.3795811630457131
EOS-2-18213,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)cc2)c1,QRSBPPLDFBYJLP-UHFFFAOYSA-N,2,1,0.409,6,603,436.435,3.606,6,0.39,0.7,1.0,0.36322047837708177,0.19539442121855938,0.44124802960729215,0.39302480981426907,0.3482219347543006
EOS-2-18214,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)nn2)cc1,GDXRFLPXWGIJSQ-UHFFFAOYSA-N,2,1,0.512,89,348,436.435,3.103,5,0.395,0.79,0.663,0.663217051607155,0.4307878144061408,0.5385425947501885,0.41495613734493864,0.5118758995271058
EOS-2-18215,COc1cc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)ccc1-c1cccnn1,BVSJJBSPICAHNZ-UHFFFAOYSA-N,2,1,0.552,72,591,436.435,3.103,5,0.395,0.77,1.0,0.6275186758961003,0.42624734425330685,0.6069409224864643,0.44673086148995955,0.5268594510314577
EOS-2-18216,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)nc1,QOBJLVVOYLFUOT-UHFFFAOYSA-N,2,1,0.394,41,318,436.435,4.034,6,0.398,0.72,1.0,0.47328832842162977,0.2967582756493729,0.4730655883763964,0.3706651360427661,0.40344433212254127
EOS-2-18217,Cc1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)o6)cn5)n34)cc2)n1,NAUUDURWORRFIT-UHFFFAOYSA-N,2,1,0.297,38,532,436.435,4.175,6,0.401,0.75,1.0,0.1440014392433692,0.1388355835789185,0.22121513261599615,0.172529298882873,0.1691453635802892
EOS-2-18218,c1cnnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)o2)c1,VPIOGECNIUAWAZ-UHFFFAOYSA-N,2,1,0.463,81,609,436.435,3.81,6,0.418,0.58,1.0,0.5761685285449935,0.48338016585566446,0.5248783496676033,0.46249400315262834,0.5117302618052224
EOS-2-18219,c1cc(COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)nc(-c2cocn2)c1,AOYXMTFXGHPZQJ-UHFFFAOYSA-N,2,1,0.5,81,609,436.435,3.81,6,0.418,0.6,1.0,0.4904735796038654,0.412780138441505,0.47307415530121305,0.41496470426975535,0.44782314440408466
EOS-2-18220,COc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)n2)nn1,KXXPSJQWFAPQJL-UHFFFAOYSA-N,2,1,0.512,81,268,436.435,3.103,5,0.395,0.64,0.979,0.727100609965047,0.6773610444794737,0.4624426016037283,0.357669111095881,0.5561433417860325
EOS-2-18221,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)c1,GVPPRALKYBYEEW-UHFFFAOYSA-N,2,1,0.541,40,932,436.435,3.606,6,0.39,0.64,1.0,0.3156312110204921,0.25533719416078404,0.462451168528545,0.3834641217188678,0.3542209238571722
EOS-2-18222,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)c1,KJGOXBKGGJYNEM-UHFFFAOYSA-N,2,1,0.523,81,932,436.435,3.606,6,0.39,0.64,1.0,0.40577239394147074,0.32191933383592625,0.4482643410321431,0.3774158727983003,0.3883429854019601
EOS-2-18223,c1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc(-c2nnco2)c1,PPYCOYXZJRNPPS-UHFFFAOYSA-N,2,1,0.494,77,323,436.435,3.81,6,0.418,0.62,1.0,0.6755448564183401,0.5106743883215681,0.52488691659242,0.462502570077445,0.5434021828524433
EOS-2-18224,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1,CZLQTMYSWFSXHW-UHFFFAOYSA-N,2,1,0.4,77,622,436.435,4.034,6,0.398,0.67,1.0,0.4423788636830923,0.3408094030566788,0.49348913713933246,0.39018059077513534,0.4167144986635597
EOS-2-18225,Cn1cc(-c2ccc(O)c(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)c2)nn1,HBUWTAJOIOSTLY-UHFFFAOYSA-N,2,1,0.279,9,764,436.435,3.614,6,0.445,0.69,1.0,0.13329278322253443,0.1019806730176136,0.4299225549996573,0.377424439723117,0.2606551127407306
EOS-2-18226,O=c1[nH]c(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)ccn2)ncc1F,TWOHYTCPEYXHFH-UHFFFAOYSA-N,2,1,0.573,75,496,436.432,2.154,5,0.429,0.55,0.648,0.5517442258926736,0.3936758961003358,0.10779761496813103,0.13008018641628402,0.2958244808443561
EOS-2-18227,COc1nc(-c2nnc3cncc(OCc4nccs4)n23)ccc1-c1ncc(F)cn1,NGXZTPUVCJUSNZ-UHFFFAOYSA-N,2,1,0.523,46,896,436.432,2.826,5,0.396,0.63,0.999,0.5310979370845041,0.515497566993352,0.09055239531217874,0.0640034953053252,0.30028784867384006
EOS-2-18228,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cn2)s1,BPUSLITWYBQUQD-UHFFFAOYSA-N,2,1,0.444,55,565,436.432,2.827,5,0.371,0.71,1.0,0.5848639572339113,0.6004900280995134,0.17690699746419025,0.1366510177506682,0.37472800013707075
EOS-2-18229,COc1ccc(-c2nnc3cncc(OCc4nsc(-c5ccc(F)nc5)n4)n23)cn1,ATGIILVVDKTGCL-UHFFFAOYSA-N,2,1,0.418,51,879,436.432,2.826,5,0.371,0.71,1.0,0.4585874854362278,0.5337194160784045,0.14833630320060312,0.11699849222123226,0.3144104242341169
EOS-2-18230,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)nc2F)ccc1=O,BKBAYHQYXNEACX-UHFFFAOYSA-N,2,1,0.389,46,223,436.432,2.122,5,0.385,0.55,0.964,0.37248132410389967,0.3015985881707902,0.14237372352820232,0.13446645192241793,0.23773002193132753
EOS-2-18231,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cnsc5)n34)nc2F)ccc1=O,RBIRJUUXVSXTPY-UHFFFAOYSA-N,2,1,0.389,46,223,436.432,2.122,5,0.385,0.56,0.964,0.3724898910287163,0.31188746487560826,0.16090398190665478,0.15375059968473717,0.24975798437392913
EOS-2-18232,c1coc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cn2)c1,XEZBPDNTEWBVLB-UHFFFAOYSA-N,2,1,0.584,28,120,436.431,4.68,6,0.371,0.74,1.0,0.6662668768418888,0.4079997943938044,0.6217274347200329,0.5362723596737715,0.5580666164073744
EOS-2-18233,c1cc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc(-c2cocn2)c1,OURFTLQXABHQTP-UHFFFAOYSA-N,2,1,0.537,41,427,436.431,4.68,6,0.371,0.69,1.0,0.6786118155027071,0.47467617024193,0.6977845932424097,0.6237663628263999,0.6187097354533617
EOS-2-18234,c1cc(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)cc(-c2nnco2)c1,JVKBOOWNVMUKRX-UHFFFAOYSA-N,2,1,0.524,77,323,436.431,4.68,6,0.371,0.75,1.0,0.6599873209512713,0.44412651634569256,0.6485419093962032,0.5908351038311288,0.585872712631074
EOS-2-18235,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,JTYDSCZOCKULIB-UHFFFAOYSA-N,2,1,0.35,69,152,436.431,4.777,6,0.38,0.76,1.0,0.33794805016791174,0.12486292920293332,0.6540847097525873,0.5624785826879584,0.41984356795284766
EOS-2-18236,Cc1oc(=O)oc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,LLOUGRXXVKFWGU-UHFFFAOYSA-N,2,1,0.337,30,668,436.431,4.166,6,0.408,0.69,0.999,0.05343191008155712,0.10198923994243027,0.4520680556507436,0.4118720444109383,0.2548403125214173
EOS-2-18237,c1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)cn5)n34)cc2)c1,VQLDWAZVHUBVSH-UHFFFAOYSA-N,2,1,0.595,40,120,436.431,4.68,6,0.371,0.68,1.0,0.4632821602357618,0.4033308203687204,0.6187975464327325,0.5461671578370229,0.5078944212185594
EOS-2-18238,COc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)o2)n1,IEZAUAIKTLFMTA-UHFFFAOYSA-N,2,1,0.321,38,126,436.431,4.777,6,0.38,0.68,1.0,0.3473116989925296,0.19540298814337606,0.4934977040641491,0.405147008429854,0.3603398499074772
EOS-2-18239,COc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cocn4)cc3)n12,NPPQBLWFBLMABO-UHFFFAOYSA-N,2,1,0.359,69,30,436.431,4.777,6,0.38,0.72,1.0,0.3379566170927284,0.12487149612774999,0.7030018504557604,0.5939534644643959,0.43994585703515865
EOS-2-18240,Cn1cncc1CCOc1cncc2nnc(-c3cc(-c4ccc(F)cc4F)n(C)n3)n12,LZOWSFVOTHEKNZ-UHFFFAOYSA-N,2,1,0.457,95,835,436.426,2.825,5,0.407,0.63,0.847,0.4329980810088411,0.40333938729353713,0.4264101158248235,0.4278493591940237,0.4226492358303064
EOS-2-18241,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnn(C(F)F)c5)n34)cc2)n1,OQJCUCIUWNBGCN-UHFFFAOYSA-N,2,1,0.542,15,519,436.426,3.405,5,0.389,0.65,1.0,0.6190973888013159,0.6724950311836063,0.6217360016448495,0.4897967925433486,0.6007813035432801
EOS-2-18242,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)nn1C,VJGOLXQCCSGWFT-UHFFFAOYSA-N,2,1,0.489,95,998,436.426,2.825,5,0.407,0.62,0.991,0.33310773764649443,0.24031937495716538,0.4869611404290316,0.46550099376327875,0.38147231169899254
EOS-2-18243,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc6ccccc6c5)n34)c(F)c2)n1,GDICRQNBUUJDKF-UHFFFAOYSA-N,2,1,0.329,30,298,436.425,5.347,6,0.35,0.62,1.0,0.3886214104585018,0.5958124871496128,0.9060979370845041,0.9292971694880405,0.7049572510451648
EOS-2-18244,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccoc4)n23)c(F)c1,JMPIBAUKUAYNHJ-UHFFFAOYSA-N,2,1,0.511,26,619,436.422,3.978,5,0.366,0.66,1.0,0.5937050236447124,0.47468473716674664,0.62466588993215,0.5939620313892126,0.5717544205332054
EOS-2-18245,CC(F)(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccoc5)n34)cc2)cn1,DXJLSYLFJJKKOV-UHFFFAOYSA-N,2,1,0.556,15,519,436.422,4.439,5,0.375,0.67,1.0,0.6330786101021177,0.6148995956411486,0.8842094441779179,0.7370639435268316,0.7173128983620038
EOS-2-18246,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,QFZYNOQCOUKQOS-UHFFFAOYSA-N,2,1,0.321,42,7,436.414,3.235,6,0.418,0.69,1.0,0.29490781988897263,0.3118960318004249,0.4482729079569598,0.44332979233774245,0.3746016379960249
EOS-2-18247,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)nc1,QYQSXAXSBMGSCZ-UHFFFAOYSA-N,2,1,0.308,38,618,436.414,3.03,6,0.414,0.72,1.0,0.014957850729901995,0.13145946131176753,0.23540196011239806,0.3103625522582414,0.17304545610307726
EOS-2-18248,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)cn2)nc1,XRUKLIGGCGDUOQ-UHFFFAOYSA-N,2,1,0.277,86,151,436.414,3.03,6,0.414,0.77,1.0,0.008935302583784525,0.08291926530052772,0.30462271263107393,0.3481769583990131,0.18616355972859983
EOS-2-18249,Fc1cc(-c2c[nH]nn2)ncc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,QCWFTLRMURZMFG-UHFFFAOYSA-N,2,1,0.313,42,171,436.414,3.235,6,0.447,0.68,1.0,0.1996521828524433,0.28094373243780413,0.5812915495853609,0.602614625454047,0.4161255225824138
EOS-2-18250,Fc1cccc(-c2cnncc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,VQHDATOQSXQOMT-UHFFFAOYSA-N,2,1,0.329,9,7,436.414,3.235,6,0.418,0.61,1.0,0.2893050510588719,0.31696765129189225,0.48696970735384826,0.5027928174902337,0.39900880679871154
EOS-2-18251,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)nc4)n23)c1,FEZXWZOLIBDLGJ-UHFFFAOYSA-N,2,1,0.349,10,693,436.414,3.235,6,0.447,0.74,0.983,0.24915187444314987,0.32641696936467685,0.37140189157699954,0.46251113700226165,0.35237046809677197
EOS-2-18252,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)cc2)ccn1,REFQUKJZRGKRRM-UHFFFAOYSA-N,2,1,0.305,9,725,436.414,3.235,6,0.418,0.76,1.0,0.27532382975807,0.3460266602700295,0.5147950791583853,0.552583784524707,0.42218233842779795
EOS-2-18253,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cn2)ccn1,KQLZMHYYYPIJPI-UHFFFAOYSA-N,2,1,0.277,10,705,436.414,3.03,6,0.388,0.7,1.0,0.008943869508601193,0.11480535946816531,0.4114008635460215,0.4433383592625591,0.2446221129463368
EOS-2-18254,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(-c3ccc(-c4ccncc4)cn3)n12,WFLNNQGEYIFWEB-UHFFFAOYSA-N,2,1,0.329,42,572,436.414,3.235,6,0.447,0.77,1.0,0.3000651086286067,0.38912685902268523,0.5214858474402029,0.562487149612775,0.44329124117606744
EOS-2-18255,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1,ZXSURGVDUBMKML-UHFFFAOYSA-N,2,1,0.4,9,186,436.414,3.235,6,0.447,0.67,1.0,0.2567678706051676,0.43552532382975806,0.41520457816462203,0.47476183949009665,0.3955649030224111
EOS-2-18256,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)c1,WABOZMJCUSVHGA-UHFFFAOYSA-N,2,1,0.341,3,973,436.414,3.03,6,0.414,0.71,1.0,0.042834624083339046,0.20006339524364333,0.2319323555616476,0.3225532862723597,0.19934591529024742
EOS-2-18257,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cn2)nc1,SMAIINREAUCKOS-UHFFFAOYSA-N,2,1,0.303,10,952,436.414,3.03,6,0.414,0.75,1.0,0.039913302720855325,0.1782006031115071,0.19667089301624288,0.2884397916523885,0.17580614762524843
EOS-2-18258,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)cn4)n23)cc1,WDZALUOOLNHDSZ-UHFFFAOYSA-N,2,1,0.292,10,543,436.414,3.235,6,0.447,0.6,0.965,0.2160150092522788,0.2809522993626208,0.4010777191419368,0.4989634020971832,0.3492521074635049
EOS-2-18259,Fc1cncc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)c1,GMQZTPLECWBRQM-UHFFFAOYSA-N,2,1,0.301,42,50,436.414,3.03,6,0.414,0.73,1.0,0.03033548077582071,0.15775135357412104,0.360067850044548,0.41188061133575493,0.24000882393256118
EOS-2-18260,Fc1ccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)[nH]n2)nc1,GEEJJKQXFWPRTL-UHFFFAOYSA-N,2,1,0.253,94,165,436.414,3.235,6,0.447,0.69,0.951,0.14976697964498664,0.20960694948941128,0.46245973545336166,0.4928123500788157,0.3286615036666438
EOS-2-18261,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cn4)n23)cc1,GTFFLHQJECDLOQ-UHFFFAOYSA-N,2,1,0.329,32,750,436.414,3.235,6,0.447,0.76,1.0,0.3104053868823247,0.3936844630251525,0.3864111438558015,0.4747704064149133,0.391317850044548
EOS-2-18262,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncccn6)nn5)n34)cc2)nc1,DPOZBUYJJDDGEL-UHFFFAOYSA-N,2,1,0.31,38,618,436.414,3.03,6,0.414,0.66,1.0,0.032991227468987736,0.15406757590295386,0.2829483928449044,0.35142382290453017,0.20535775478034404
EOS-2-18263,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)cc2)cn1,IZPLJVUJPKGWNO-UHFFFAOYSA-N,2,1,0.316,9,725,436.414,3.235,6,0.418,0.76,1.0,0.25677643752998425,0.31190459872524157,0.5111370022616681,0.5493797546432733,0.40729944829004183
EOS-2-18264,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nn2)nc1,IIGMXYAJJJBGDL-UHFFFAOYSA-N,2,1,0.333,42,618,436.414,3.03,6,0.414,0.72,1.0,0.02459564114865328,0.1461003358234528,0.2935628126927558,0.37743300664793367,0.2104229490781989
EOS-2-18265,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)cn2)nn1,DCXDXHSBGVPTTF-UHFFFAOYSA-N,2,1,0.305,42,725,436.414,3.235,6,0.447,0.57,0.996,0.27036358028921936,0.3169762182167089,0.4374443149886917,0.4655095606880954,0.3725734185456789
EOS-2-18266,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)nc1,FMUCJNQOVOSLCM-UHFFFAOYSA-N,2,1,0.308,86,790,436.414,3.03,6,0.414,0.65,0.999,0.01661983414433555,0.16171783976423823,0.3864197107806182,0.40515557535467067,0.24247824001096568
EOS-2-18267,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)cn2)cn1,NRICEHBBVRGVMZ-UHFFFAOYSA-N,2,1,0.289,10,705,436.414,3.03,6,0.388,0.67,1.0,0.013432938112535124,0.12120485230621617,0.42281200740182306,0.4467394284147762,0.25104730655883767
EOS-2-18268,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccnnc4-c4cccnn4)n23)cn1,PCONOGISLSBGJN-UHFFFAOYSA-N,2,1,0.281,10,887,436.414,3.03,6,0.414,0.61,0.814,0.018436022205469124,0.14998971969021999,0.3374854362278117,0.43087348365430744,0.23419616544445207
EOS-2-18269,Fc1cncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,WWXAGXSMSJFJKB-UHFFFAOYSA-N,2,1,0.301,42,154,436.414,3.235,6,0.447,0.55,1.0,0.2893136179836886,0.29676684257418956,0.44828147488177644,0.4777516962511137,0.3780284079226921
EOS-2-18270,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)nc1,LAXMFYAYFWLSRA-UHFFFAOYSA-N,2,1,0.321,38,154,436.414,3.235,6,0.447,0.62,1.0,0.30264375299842367,0.3169847851415256,0.3714104585018162,0.38038859570968403,0.3428568980878624
EOS-2-18271,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1,ITBTWGAPKLRTOV-UHFFFAOYSA-N,2,1,0.397,9,7,436.414,3.235,6,0.447,0.64,1.0,0.3280789527791104,0.4441350832705092,0.3564012062230142,0.4051641422794874,0.3834448461380303
EOS-2-18272,Fc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cnn2)c1,DIHIPHDMKPZRPQ-UHFFFAOYSA-N,2,1,0.294,42,7,436.414,3.235,6,0.447,0.52,1.0,0.2753323966828867,0.2863837296963882,0.5183674868069358,0.5362809265985882,0.40409113494619975
EOS-2-18273,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)nc1,YBGRFKWWAVIETF-UHFFFAOYSA-N,2,1,0.321,42,7,436.414,3.235,6,0.447,0.7,1.0,0.3496419025426633,0.3310945103145775,0.39765094921526967,0.414973271194572,0.3733401583167706
EOS-2-18274,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cc1,OVIWPYVQPYBJNT-UHFFFAOYSA-N,2,1,0.35,3,973,436.414,3.03,6,0.414,0.76,1.0,0.03687204441093825,0.20961551641422796,0.35640977314783084,0.45940134329381127,0.2655746693167021
EOS-2-18275,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nn5)n34)cn2)cc1,XPWPNSUKNORXIH-UHFFFAOYSA-N,2,1,0.338,3,750,436.414,3.235,6,0.447,0.65,0.996,0.23260057569734768,0.3841323418545679,0.37141902542663285,0.45301041738057707,0.36029059008978137
EOS-2-18276,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cn2)cn1,MNMGOFCDJOUEFA-UHFFFAOYSA-N,2,1,0.321,9,725,436.414,3.235,6,0.418,0.72,1.0,0.2781252141731204,0.3119131656500583,0.5315691179494209,0.5393735864574053,0.4152452710575012
EOS-2-18277,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)cc1,JCZYTNBHVLETMS-UHFFFAOYSA-N,2,1,0.301,39,972,436.414,3.03,6,0.414,0.8,1.0,0.010965663765334796,0.09583818792406278,0.2245048317455966,0.3071156877527243,0.1596060927969296
EOS-2-18278,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)ncc1-c1cncnn1,HQUVROKVYDAISI-UHFFFAOYSA-N,2,1,0.314,38,725,436.414,3.235,6,0.447,0.55,1.0,0.2272719484613803,0.2967754094990062,0.5284678911657871,0.5560790898499075,0.40214858474402027
EOS-2-18279,Fc1cncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cc5)n34)cn2)c1,BOXXFUVMBNNSED-UHFFFAOYSA-N,2,1,0.286,42,106,436.414,3.235,6,0.447,0.72,1.0,0.20234219724487698,0.229910561304914,0.4624683023781783,0.5028013844150504,0.34938061133575493
EOS-2-18280,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)ccn1,ZBBLCYSDPVGADD-UHFFFAOYSA-N,2,1,0.312,38,167,436.414,3.235,6,0.418,0.64,1.0,0.23260914262216434,0.30160715509560687,0.4696302515249126,0.46868788979507914,0.36813360975944076
EOS-2-18281,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccno6)cn5)n34)nc2)c1,KVILVNXWIWUKDH-UHFFFAOYSA-N,2,1,0.306,42,957,436.41,4.104,6,0.406,0.71,1.0,0.24637619080254952,0.2553457610856007,0.6217445685696662,0.6385271742855184,0.4404984236858337
EOS-2-18282,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccccn6)o5)n34)cn2)cn1,QUMMAZNBUSMZII-UHFFFAOYSA-N,2,1,0.313,76,368,436.41,4.104,6,0.38,0.74,1.0,0.24638475772736618,0.2967839764238229,0.47997909670344735,0.4928209170036324,0.3789921869645672
EOS-2-18283,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)nn2)c1,ODCVXPIXRHMPBN-UHFFFAOYSA-N,2,1,0.342,32,572,436.41,4.104,6,0.406,0.73,0.997,0.23828044685079844,0.3016157220204235,0.5520012336371736,0.6090055513672812,0.42522573846891915
EOS-2-18284,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)o2)c1,KHPXUHDOOGDYKJ-UHFFFAOYSA-N,2,1,0.395,3,733,436.41,4.104,6,0.406,0.75,1.0,0.2703721472140361,0.4218867795216229,0.5039921869645672,0.5624957165375917,0.43968670755945444
EOS-2-18285,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)ccc1-c1nnco1,UMHWOLXDEVCMDA-UHFFFAOYSA-N,2,1,0.329,9,38,436.41,4.104,6,0.406,0.71,1.0,0.3632290453018984,0.4262559111781235,0.7211979987663628,0.7234682338427798,0.5585377972722911
EOS-2-18286,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)c1,CXXMDWVHCDEEKR-UHFFFAOYSA-N,2,1,0.37,32,572,436.41,4.104,6,0.406,0.66,1.0,0.29752073195805634,0.370048317455966,0.5078044685079843,0.5657254471934754,0.4352747412788705
EOS-2-18287,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3)n12,RTJQLAJPZKAVPA-UHFFFAOYSA-N,2,1,0.338,9,867,436.41,4.104,6,0.406,0.71,1.0,0.34507573161537936,0.45721677746556094,0.6007042012199301,0.5997447056404633,0.5006853539853334
EOS-2-18288,Fc1cccnc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)o1,ITRGLGZOVDAWAK-UHFFFAOYSA-N,2,1,0.323,30,301,436.41,4.104,6,0.406,0.8,0.721,0.2542834624083339,0.30162428894524024,0.3080666164073744,0.4278579261188404,0.32295807346994726
EOS-2-18289,Fc1ncccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cn1,GVLBHDYRCONNEQ-UHFFFAOYSA-N,2,1,0.356,42,983,436.41,4.104,6,0.38,0.65,1.0,0.3053509012404907,0.41278870536632173,0.6158505242957988,0.6090141182920978,0.48575106229867726
EOS-2-18290,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)ccc1-c1nnco1,QGWWORJYSMQQNC-UHFFFAOYSA-N,2,1,0.347,42,339,436.41,4.104,6,0.406,0.76,1.0,0.3473202659173463,0.39855904324583646,0.6363597423069015,0.6472226029744363,0.5073654136111302
EOS-2-18291,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5conn5)cn4)n23)nc1,BSQFVAKZOLLDRV-UHFFFAOYSA-N,2,1,0.355,32,572,436.41,4.104,6,0.406,0.65,1.0,0.16871701733945582,0.25022274004523337,0.6127064628880817,0.6614008635460216,0.42326177095469814
EOS-2-18292,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cnccn6)o5)n34)cc2)cc1,HZAHGPDDQKTTES-UHFFFAOYSA-N,2,1,0.426,3,733,436.41,4.104,6,0.406,0.67,1.0,0.3104139538071414,0.4793280104173806,0.4935062709889658,0.5877253101226784,0.46774338633404156
EOS-2-18293,Fc1cc(-c2cnco2)cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,JJGAKYZQXVNAOK-UHFFFAOYSA-N,2,1,0.286,42,596,436.41,4.104,6,0.406,0.7,1.0,0.24348913713933246,0.27605201836748683,0.6540932766774039,0.6556438900692207,0.457319580563361
EOS-2-18294,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)o1,BQWPJUUZYGLXCX-UHFFFAOYSA-N,2,1,0.373,3,733,436.41,4.104,6,0.406,0.77,1.0,0.2920293331505723,0.4396717154410253,0.4869782742786649,0.5493883215680899,0.4420169111095881
EOS-2-18295,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnoc6)cn5)n34)cn2)cn1,WBJNTIIWVOOOQR-UHFFFAOYSA-N,2,1,0.342,32,392,436.41,4.104,6,0.38,0.65,1.0,0.31563977794530873,0.29173805770680555,0.6651874443149887,0.6556524569940374,0.4820544342402851
EOS-2-18296,Fc1ncccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)o1,HXWDNOJXHMWACX-UHFFFAOYSA-N,2,1,0.338,38,641,436.41,4.104,6,0.38,0.74,1.0,0.262379206360085,0.38414090877938456,0.41893119045987254,0.47183195120279625,0.38432081420053454
EOS-2-18297,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)o2)nc1,CUYVUOSPYDKRCI-UHFFFAOYSA-N,2,1,0.347,38,608,436.41,4.104,6,0.406,0.74,1.0,0.3355835789185114,0.3748886299773833,0.45564903022411074,0.44973785210060996,0.40396477280515386
EOS-2-18298,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cn2)cn1,UKXAPCLGJCDZQL-UHFFFAOYSA-N,2,1,0.357,42,723,436.41,4.104,6,0.38,0.78,1.0,0.33796518401754505,0.37489719690219997,0.6426992666712357,0.6210763484339662,0.4941594990062367
EOS-2-18299,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)o2)cn1,QVTPCBBKLGVJSZ-UHFFFAOYSA-N,2,1,0.304,30,301,436.41,4.104,6,0.38,0.83,0.993,0.2382890137756151,0.28639229662120486,0.4228205743266397,0.5028099513398671,0.3625779590158317
EOS-2-18300,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cnn2)cn1,GPGCVMMOVGTSFF-UHFFFAOYSA-N,2,1,0.312,9,57,436.41,4.104,6,0.38,0.62,1.0,0.29203790007538893,0.33110307723939414,0.6513861284353368,0.632530326913851,0.4767643581659927
EOS-2-18301,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)nc4)n23)c1,NWULYBVAEYRSOR-UHFFFAOYSA-N,2,1,0.511,28,870,436.41,4.123,6,0.406,0.61,0.997,0.6632256185319718,0.7913696799396889,0.6098536769241313,0.6501096566376533,0.6786396580083612
EOS-2-18302,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)nc2)cn1,VXXOFCRYJJAFAH-UHFFFAOYSA-N,2,1,0.278,9,339,436.41,4.104,6,0.38,0.72,1.0,0.22439346172297991,0.28096086628743744,0.6427078335960523,0.6443012816119525,0.4480908608046056
EOS-2-18303,Fc1ccnc(-c2cccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)c2)c1,BWPPLDMBZPMCJC-UHFFFAOYSA-N,2,1,0.318,32,572,436.41,4.104,6,0.406,0.68,1.0,0.2675964635734357,0.34081796998149544,0.5877253101226784,0.6152679734082653,0.45285192927146867
EOS-2-18304,Fc1cncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)o5)n34)n2)c1,RLAJTWXUKTVNQF-UHFFFAOYSA-N,2,1,0.282,30,77,436.41,4.104,6,0.406,0.73,1.0,0.24639332465218286,0.22486464258789665,0.4482900418065931,0.5431858680008225,0.3656834692618738
EOS-2-18305,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)cc1,RBSJIKDLJJJGGV-UHFFFAOYSA-N,2,1,0.342,30,641,436.41,4.104,6,0.406,0.81,0.986,0.26760503049825235,0.37954047015283393,0.39379583304776916,0.5028185182646837,0.38593996299088473
EOS-2-18306,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)cc1,GOMIYWBQHULFDX-UHFFFAOYSA-N,2,1,0.411,3,186,436.41,4.104,6,0.406,0.8,1.0,0.31815845384140906,0.4355338907545747,0.5419008292783223,0.5847525872112946,0.4700864402714002
EOS-2-18307,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,OEEPRWQUKWBCSY-UHFFFAOYSA-N,2,1,0.296,42,174,436.41,4.104,6,0.406,0.77,0.999,0.3907802755123021,0.43968028236584195,0.5813001165101775,0.615276540333082,0.5067593036803509
EOS-2-18308,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)n5)n34)cn2)c1,AUHXBOYZMRLQDQ-UHFFFAOYSA-N,2,1,0.362,32,541,436.41,4.104,6,0.406,0.76,1.0,0.22152354190939622,0.37005688438078266,0.5004797477897334,0.5625042834624083,0.41364111438558016
EOS-2-18309,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cn2)c1,QUQZECCSQSAHQY-UHFFFAOYSA-N,2,1,0.367,32,572,436.41,4.104,6,0.406,0.73,1.0,0.26238777328490165,0.3749057638270167,0.5781903228017271,0.6180607908984991,0.4583861627030361
EOS-2-18310,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)o1,YZEFZECPQUPMMN-UHFFFAOYSA-N,2,1,0.362,32,20,436.41,4.104,6,0.406,0.78,0.987,0.24916044136796656,0.40800836131862106,0.45207662257556025,0.522668083064903,0.40797837708176266
EOS-2-18311,Fc1cc(-c2cnco2)ccc1-c1nnc2cncc(-c3ccc(-c4cnccn4)cn3)n12,GECCQXVIJAYMEQ-UHFFFAOYSA-N,2,1,0.342,42,327,436.41,4.104,6,0.406,0.7,1.0,0.3773045027756836,0.45279624426016035,0.6572030703858543,0.6501182235624701,0.534355510246042
EOS-2-18312,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cnc1-c1nnco1,VMRCPAZCLXPCOK-UHFFFAOYSA-N,2,1,0.321,30,945,436.41,4.104,6,0.406,0.73,0.957,0.297529298882873,0.3604105270372147,0.4761668151600302,0.539382153382222,0.41837219861558494
EOS-2-18313,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)ccc1-c1cnco1,ONYBKWVSGJRIKT-UHFFFAOYSA-N,2,1,0.346,9,38,436.41,4.104,6,0.406,0.75,1.0,0.40798266054417104,0.3841494757042012,0.7389743677609485,0.7396682886710986,0.5676936981701048
EOS-2-18314,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)ccc1-c1nnco1,HZWIZPAXOIFHMS-UHFFFAOYSA-N,2,1,0.35,32,572,436.41,4.104,6,0.406,0.72,1.0,0.3280875197039271,0.3985676101706531,0.5846497841134947,0.5967120142553629,0.4770042320608594
EOS-2-18315,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cn2)cc1,OKERBTIQFNHUGS-UHFFFAOYSA-N,2,1,0.365,32,572,436.41,4.104,6,0.406,0.71,1.0,0.28932218490850525,0.4080169282434377,0.5941933383592626,0.6266191487903502,0.4795379000753889
EOS-2-18316,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)cn2)ccn1,ZFYVOBSXUTVVNV-UHFFFAOYSA-N,2,1,0.317,32,191,436.41,4.104,6,0.38,0.66,1.0,0.27038071413885273,0.2967925433486396,0.6127150298128984,0.6090226852169145,0.4472277431293263
EOS-2-18317,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)nc5)n34)cc2)cn1,CHBOLDMEZXTODU-UHFFFAOYSA-N,2,1,0.31,69,339,436.41,4.104,6,0.38,0.73,1.0,0.267613597423069,0.34603522719484614,0.6302772256870673,0.647231169899253,0.4727893050510589
EOS-2-18318,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccno6)cn5)n34)cn2)cc1,XYLUUGMGVWSNIX-UHFFFAOYSA-N,2,1,0.36,42,106,436.41,4.104,6,0.406,0.8,1.0,0.27293365773421974,0.3408265369063121,0.5618274964018916,0.6058786238091974,0.4453665787129052
EOS-2-18319,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cn2)n1,MEBJTPXGIWBHSS-UHFFFAOYSA-N,2,1,0.333,32,191,436.41,4.104,6,0.38,0.74,0.996,0.35640977314783084,0.36041909396203137,0.572082105407443,0.5592060174079913,0.4620292474813241
EOS-2-18320,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)cn1,HXIOUUBSHNXTEJ-UHFFFAOYSA-N,2,1,0.342,38,787,436.41,4.104,6,0.38,0.75,1.0,0.29491638681378934,0.36506236721266533,0.657211637310671,0.6443098485367692,0.49037505996847375
EOS-2-18321,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,AVOREACZUWGDDR-UHFFFAOYSA-N,2,1,0.357,9,50,436.41,4.104,6,0.406,0.69,1.0,0.3632376122267151,0.43079638133095743,0.6788945240216572,0.6729233774244398,0.5364629737509423
EOS-2-18322,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)ccc1-c1ccno1,CFXRNFRKJHLBDY-UHFFFAOYSA-N,2,1,0.338,42,171,436.41,4.104,6,0.406,0.72,1.0,0.345084298540196,0.3460437941196628,0.7212065656911795,0.7101895003769447,0.5306310396819958
EOS-2-18323,c1cnnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)c1,RDHOORSFLBJRQR-UHFFFAOYSA-N,2,1,0.365,67,622,436.399,2.011,6,0.421,0.63,1.0,0.46581796998149544,0.4308049482557741,0.11319477760263176,0.10981084230004798,0.27990713453498733
EOS-2-18324,Cc1nnc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ncccn6)nc5)n34)nn2)o1,MELFDDIERVNOQL-UHFFFAOYSA-N,2,1,0.271,99,286,436.399,1.854,6,0.395,0.61,0.994,0.10375402645466383,0.07956103077239395,0.01106846686313481,0.010434514426701392,0.051204509629223495
EOS-2-18325,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1F,BDUNGNUSAUUSLO-UHFFFAOYSA-N,2,1,0.549,59,293,436.397,4.188,5,0.413,0.67,1.0,0.9208244808443561,0.8603334247138648,0.9213898978822562,0.9088993214995545,0.9028617812350078
EOS-2-18326,Cn1nc(-c2ccc(F)cc2)cc1-c1nnc2cncc(OCc3ccc(F)cc3F)n12,DSWZKZDYVOTSNJ-UHFFFAOYSA-N,2,1,0.512,34,146,436.397,4.188,5,0.413,0.72,1.0,0.5708741690082928,0.5569871838804743,0.8924079912274689,0.9031509149475704,0.7308550647659515
EOS-2-18327,CC(F)n1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2)cn1,FPGDKRROYWDHSV-UHFFFAOYSA-N,2,1,0.537,13,145,436.397,5.213,5,0.378,0.73,1.0,0.554314303337674,0.72531868960318,0.9507658830786101,0.9241998492221233,0.7886496813103969
EOS-2-18328,Cn1cc(-c2cccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)cn1,XJJSLPGCBBZVBA-UHFFFAOYSA-N,2,1,0.61,1,528,436.397,5.003,5,0.396,0.86,1.0,0.6905369748475088,0.7161863477486121,0.9872952504968816,0.9642330888904119,0.8395629154958536
EOS-2-18329,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cc(F)cc5F)n34)cc2)n1,BMKDIWHDNUPGTH-UHFFFAOYSA-N,2,1,0.557,43,178,436.397,4.188,5,0.413,0.69,1.0,0.8053766020149408,0.7483722842848332,0.927480981426907,0.9044530875197039,0.8464207388115963
EOS-2-18330,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1F,FNJYQVDMHMNQLC-UHFFFAOYSA-N,2,1,0.553,91,273,436.397,4.22,5,0.403,0.58,1.0,0.9803646083201973,0.9597611541361113,0.9267784935919402,0.9166780892330889,0.9458955863203344
EOS-2-18331,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)cc1,WAPQXBQYCNBJOB-UHFFFAOYSA-N,2,1,0.584,1,138,436.397,4.575,5,0.404,0.82,1.0,0.7087331231581112,0.5707542320608594,0.9850335823452814,0.9587673908573778,0.8058220821054075
EOS-2-18332,Cn1cc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)c(-c2cccc(F)c2)n1,JCEJNFYSKFRJAV-UHFFFAOYSA-N,2,1,0.535,34,146,436.397,4.188,5,0.413,0.77,1.0,0.5965149749845795,0.7439174833801658,0.8754026454663834,0.8846806250428346,0.7751289322184909
EOS-2-18333,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1F,FYLJNZZOGXIFJE-UHFFFAOYSA-N,2,1,0.548,34,607,436.397,4.188,5,0.413,0.74,1.0,0.8764135425947502,0.7869662805839216,0.9471934754300596,0.9381382358988417,0.8871778836268933
EOS-2-18334,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c(F)c2)cn1,SQISLWJFXLLANQ-UHFFFAOYSA-N,2,1,0.603,59,623,436.397,4.188,5,0.413,0.75,1.0,0.79992803783154,0.8408522376807621,0.9587588239325612,0.9447433349324926,0.8860706085943391
EOS-2-18335,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2F)n1,JHEUOTLZNCQRRM-UHFFFAOYSA-N,2,1,0.703,43,96,436.397,4.188,5,0.413,0.74,1.0,0.9208330477691727,0.8906089370159688,0.942387430607909,0.9261873757795902,0.9200041977931601
EOS-2-18336,Cn1nc(-c2ccc(F)cc2)cc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,GUNKUIHWJFMVMV-UHFFFAOYSA-N,2,1,0.561,34,372,436.397,4.188,5,0.413,0.74,1.0,0.7211208964430128,0.830589061750394,0.8778699198135838,0.8846891919676513,0.8285672674936605
EOS-2-18337,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)cc1F,KXAVOSYWYRJTDO-UHFFFAOYSA-N,2,1,0.688,88,781,436.397,4.22,5,0.431,0.66,1.0,0.9814526077719142,0.9647042697553286,0.9394832430950586,0.9338033719416079,0.9548608731409773
EOS-2-18338,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)cc2)n1,JSVVIYZGVMRRJY-UHFFFAOYSA-N,2,1,0.556,43,96,436.397,4.188,5,0.387,0.73,1.0,0.7942910013021726,0.8075526009183743,0.9365876225070249,0.910124391748338,0.8621389041189774
EOS-2-18339,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)cc1,YONAYJCTSSKPKJ-UHFFFAOYSA-N,2,1,0.684,43,322,436.397,4.768,5,0.384,0.75,1.0,0.7360530463984648,0.7950962922349394,0.9582191076691111,0.9356452607771915,0.8562534267699267
EOS-2-18340,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1ccc(F)cc1,YMBXFHYTMBYFCV-UHFFFAOYSA-N,2,1,0.68,34,570,436.397,4.188,5,0.413,0.77,1.0,0.6933554931121925,0.6335926255911178,0.9081368651908711,0.9112637927489549,0.786587194160784
EOS-2-18341,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)c1,INNMBPACKWNWIE-UHFFFAOYSA-N,2,1,0.551,88,273,436.397,4.22,5,0.431,0.61,1.0,0.9631707902131451,0.9549808100884106,0.9324412308957577,0.9314217668425742,0.9455036495099719
EOS-2-18342,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccc(F)c5F)n34)cc2)n1,ZOUZQGKEIVATOP-UHFFFAOYSA-N,2,1,0.556,43,178,436.397,4.188,5,0.387,0.71,1.0,0.8658505242957988,0.8152885340278254,0.9332465218285244,0.9089078884243712,0.8808233671441299
EOS-2-18343,Cn1nc(-c2ccc(F)cc2F)cc1COc1cncc2nnc(-c3cccc(F)c3)n12,BDTBLDYQEHDWFJ-UHFFFAOYSA-N,2,1,0.553,34,372,436.397,4.188,5,0.413,0.75,1.0,0.6815502707148242,0.8230673017613598,0.8741090398190665,0.881836406003701,0.8151407545747378
EOS-2-18344,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)cn1,HMCRFIYPUGPGFN-UHFFFAOYSA-N,2,1,0.667,1,528,436.397,5.003,5,0.396,0.84,1.0,0.6905455417723254,0.7439260503049825,0.9877407305873483,0.964772805153862,0.8467462819546296
EOS-2-18345,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)c(F)c4)n23)cc1,SMQTYQWRVXQQLO-UHFFFAOYSA-N,2,1,0.627,43,96,436.397,4.188,5,0.387,0.71,1.0,0.9322013570008909,0.8152971009526421,0.952727708861627,0.9293057364128572,0.9073829758070043
EOS-2-18346,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)cc1,XWMUFWVTURQAOD-UHFFFAOYSA-N,2,1,0.562,1,138,436.397,4.575,5,0.404,0.8,1.0,0.8637430607908985,0.6428106366938524,0.9885374545952985,0.9667603317113289,0.8654628709478446
EOS-2-18347,Cn1ncc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1-c1cccc(F)c1,UKTKWDRJDRDCTG-UHFFFAOYSA-N,2,1,0.5,96,121,436.397,4.599,5,0.403,0.78,1.0,0.3355921458433281,0.6004985950243301,0.9380697005003084,0.934754300596258,0.7022286854910561
EOS-2-18348,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)cc2F)n1,ZGJOETKIIZIAPX-UHFFFAOYSA-N,2,1,0.524,34,332,436.397,4.188,5,0.413,0.69,1.0,0.8478514152559797,0.807561167843191,0.9285604139538072,0.9156072236310054,0.8748950551709959
EOS-2-18349,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cc2)n1,HPMNPDDTYICJOK-UHFFFAOYSA-N,2,1,0.568,43,178,436.397,4.188,5,0.387,0.74,1.0,0.8658590912206154,0.8230758686861764,0.9429785484202591,0.9145192241792885,0.8866081831265848
EOS-2-18350,Fc1ccccc1COc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)c4)cc3)n12,VZUHCCLOQDQCNF-UHFFFAOYSA-N,2,1,0.568,43,322,436.397,4.768,5,0.384,0.75,1.0,0.7211294633678295,0.8153056678774587,0.9553663217051607,0.9329552463847577,0.8561891748338016
EOS-2-18351,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2F)n1,MICSABIUSUWSRD-UHFFFAOYSA-N,2,1,0.536,43,178,436.397,4.188,5,0.413,0.72,1.0,0.8566667808923308,0.8268881502295936,0.9380782674251251,0.9209872524158728,0.8856551127407306
EOS-2-18352,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1F,QSPCPYQVPPQKBZ-UHFFFAOYSA-N,2,1,0.536,34,607,436.397,4.188,5,0.413,0.71,1.0,0.89986121581797,0.7994054554177232,0.9466366253169762,0.9356538277020081,0.8953892810636693
EOS-2-18353,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c(F)c1,UWSQCNKLHGEWMJ-UHFFFAOYSA-N,2,1,0.68,43,96,436.397,4.188,5,0.413,0.71,1.0,0.8637516277157151,0.8570694263587143,0.9435868000822425,0.9272582413816737,0.8979165238845863
EOS-2-18354,Cn1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)n1,IDVDHMUBVDHDEG-UHFFFAOYSA-N,2,1,0.523,43,630,436.397,4.188,5,0.387,0.75,1.0,0.6755534233431567,0.7253272565279967,0.9380868343499418,0.9112723596737715,0.8125599684737167
EOS-2-18355,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)ccc2F)cn1,LFRRLQMALKIDFI-UHFFFAOYSA-N,2,1,0.568,34,623,436.397,4.188,5,0.413,0.72,1.0,0.7512336371736001,0.8075697347680076,0.9533702282228771,0.9431584538414091,0.8638330135014736
EOS-2-18356,Cn1nc(-c2ccc(F)cc2)cc1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,CHKYNMNKWAVOEJ-UHFFFAOYSA-N,2,1,0.595,34,372,436.397,4.188,5,0.413,0.7,1.0,0.8106109930779247,0.8906175039407854,0.8960060996504695,0.8957148242067028,0.8732373552189706
EOS-2-18357,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1,NRZCHQYXVASSKE-UHFFFAOYSA-N,2,1,0.561,43,178,436.397,4.188,5,0.387,0.72,1.0,0.9365362209581248,0.8153142348022754,0.9520509218011103,0.9280978000137071,0.9079997943938044
EOS-2-18358,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,PZOPLTRAJNQEQW-UHFFFAOYSA-N,2,1,0.681,1,528,436.397,5.003,5,0.396,0.76,1.0,0.9179716948804058,0.8540710026728805,0.979550750462614,0.9464053183469262,0.9244996915907066
EOS-2-18359,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c(F)c2)cn1,HJOPZNZMLIFEDP-UHFFFAOYSA-N,2,1,0.554,34,623,436.397,4.188,5,0.413,0.84,1.0,0.7241792886025632,0.8075783016928243,0.9496179151531766,0.9381468028236584,0.8548805770680556
EOS-2-18360,Cn1cc(-c2ccc(F)c(F)c2)c(COc2cncc3nnc(-c4cccc(F)c4)n23)n1,YHJNTUZLPAFIRT-UHFFFAOYSA-N,2,1,0.573,34,80,436.397,4.188,5,0.413,0.74,1.0,0.5413611130148722,0.682227057775341,0.8948409978754026,0.8970426975532863,0.7538679665547254
EOS-2-18361,O=c1[nH]cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nn2)o1,OYPHJQPSLXIMBD-UHFFFAOYSA-N,2,1,0.273,70,944,436.395,2.049,6,0.434,0.56,0.884,0.2491690082927832,0.182329860873141,0.15154033308203688,0.1513432938112535,0.18359562401480362
EOS-2-18362,c1cc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)nc(-c2nnco2)c1,WKAXJVMBWMVEDY-UHFFFAOYSA-N,2,1,0.316,6,280,436.395,2.881,6,0.393,0.68,1.0,0.4015060653827702,0.25535432801041735,0.1865533548077582,0.15916489616887122,0.25064466109245426
EOS-2-18363,c1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)cn1,KVDCCQOEMQVRFF-UHFFFAOYSA-N,2,1,0.364,67,622,436.395,2.881,6,0.393,0.67,1.0,0.5206462888081694,0.37491433075183334,0.25354670687410047,0.2089130285792612,0.33950508875334107
EOS-2-18364,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccc5ccccc45)n23)cc1,GNDMFTHWWACCPX-UHFFFAOYSA-N,2,1,0.861,79,640,436.393,5.422,5,0.368,0.82,1.0,0.9978754026454664,0.9782742786649304,0.9913645397847989,0.9845881022548146,0.9880255808375027
EOS-2-18365,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccco5)cc4)n23)cc1,JAULEHHZFOLIGD-UHFFFAOYSA-N,2,1,0.592,1,138,436.393,5.649,5,0.356,0.82,1.0,0.9865927626619149,0.8906260708656021,0.9935833733123158,0.9841597560139812,0.9637404907134535
EOS-2-18366,CCn1cnnc1COc1cncc2nnc(-c3ccc(F)c(-c4cnc(F)nc4)n3)n12,CZFXTVLWWUQEQN-UHFFFAOYSA-N,2,1,0.34,31,105,436.386,2.112,5,0.368,0.68,0.998,0.3632461791515318,0.28096943321225415,0.09739736824069632,0.11700705914604893,0.21465500993763278
EOS-2-18367,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)n4)n23)nc1F,LPEYNPMODXFYMK-UHFFFAOYSA-N,2,1,0.38,31,279,436.386,1.671,5,0.366,0.62,0.588,0.5154547323692688,0.38415804262901787,0.09270269344116236,0.10981940922486465,0.2755337194160784
EOS-2-18368,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)nn2)cn1,LIVNEJXGJQSHDE-UHFFFAOYSA-N,2,1,0.415,53,44,436.386,2.251,5,0.378,0.71,0.997,0.38419231032828455,0.33596909053526147,0.27130594201905284,0.22624391748338016,0.30442781509149475
EOS-2-18369,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5F)n34)nc2F)n1,XMWZTCUZNDUEIF-UHFFFAOYSA-N,2,1,0.417,31,773,436.386,1.671,5,0.289,0.59,0.041,0.5817712973750943,0.45722534439037765,0.13626550613391816,0.1390240559248852,0.3285715509560688
EOS-2-18370,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)nn1,CXJUBHMDGLJECB-UHFFFAOYSA-N,2,1,0.457,7,535,436.386,2.288,5,0.394,0.63,1.0,0.3886299773833185,0.3891354259475019,0.3341957370982112,0.2528013844150504,0.34119063121102045
EOS-2-18371,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nn4)n23)n1,QYCNKIKPDDGWND-UHFFFAOYSA-N,2,1,0.361,53,44,436.386,2.517,5,0.395,0.73,1.0,0.31816702076622577,0.31192173257487493,0.25688780755260093,0.1835720649715578,0.26763715646631486
EOS-2-18372,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)cn1,QIBGRIPPHCVKHY-UHFFFAOYSA-N,2,1,0.49,36,510,436.386,1.671,5,0.366,0.71,1.0,0.605116167500514,0.5811202110890274,0.1302686587622507,0.15652628332533752,0.36825783016928243
EOS-2-18373,Cc1cncc(-n2ncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)n1,BCWJQLVQOVSFMO-UHFFFAOYSA-N,2,1,0.438,92,185,436.386,2.382,5,0.395,0.57,0.907,0.19685936536220958,0.29680111027345624,0.21743711877184566,0.16980501679117263,0.22022565279967105
EOS-2-18374,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)nc2F)o1,DKGCLUIJFHLFBH-UHFFFAOYSA-N,2,1,0.448,31,237,436.382,2.839,5,0.37,0.59,0.993,0.647822287711603,0.5065708313343842,0.22451339867041326,0.22954218353779726,0.4021121753135494
EOS-2-18375,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nc2F)o1,AFTXXNRRZNXDFN-UHFFFAOYSA-N,2,1,0.442,31,773,436.382,2.839,5,0.37,0.57,1.0,0.6755619902679734,0.47044410938249603,0.2713145089438695,0.2735676101706531,0.422722054691248
EOS-2-18376,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nc2F)o1,IILRWFWTMUXXAQ-UHFFFAOYSA-N,2,1,0.418,58,237,436.382,2.839,5,0.37,0.59,1.0,0.6022890823110136,0.4880234391062984,0.20024330066479337,0.20611164416421082,0.37416686656157905
EOS-2-18377,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)nn5)n34)cc2)cn1,PJMNHUQLDMVKNJ-UHFFFAOYSA-N,2,1,0.494,72,374,436.382,3.376,5,0.399,0.73,1.0,0.48057878144061406,0.4975412925776163,0.6896888492906587,0.59975327256528,0.5668905489685422
EOS-2-18378,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nc2F)no1,PDFYSKATZZYLMI-UHFFFAOYSA-N,2,1,0.452,18,773,436.382,2.839,5,0.37,0.59,1.0,0.6191059557261326,0.5155061339181687,0.2535552737989171,0.24674456856966623,0.40872798300322116
EOS-2-18379,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5c[nH]nn5)n4)n23)cc1,QMAHLMLHGVMXAQ-UHFFFAOYSA-N,2,1,0.655,4,996,436.382,3.152,5,0.414,0.61,1.0,0.5054913988074841,0.5477520389281064,0.7104293742718114,0.6385357412103352,0.6005521383044343
EOS-2-18380,COc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2C)cn1,WQQQUBMOIMZWOD-UHFFFAOYSA-N,2,1,0.413,95,956,436.382,3.061,5,0.414,0.67,1.0,0.37488006305256666,0.3119302994996916,0.462476869302995,0.3930333767390857,0.3855801521485847
EOS-2-18381,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccn2)no1,RDIRNYXOEMSHSD-UHFFFAOYSA-N,2,1,0.462,27,69,436.382,3.456,5,0.394,0.72,1.0,0.6217874031937496,0.5662223288328422,0.46963881844972927,0.35767767802069766,0.5038315571242548
EOS-2-18382,Cn1[nH]c(=O)cc1-c1cncc(COc2cncc3nnc(-c4cc(F)ccc4F)n23)n1,WKJVTWBJRNEDDW-UHFFFAOYSA-N,2,1,0.436,73,212,436.382,2.132,5,0.449,0.57,0.875,0.39939003495305325,0.3936930299499692,0.4833715989308478,0.4898053594681653,0.4415650058255089
EOS-2-18383,COc1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1-c1nc[nH]n1,DFUZMSVXVJKCJU-UHFFFAOYSA-N,2,1,0.472,47,980,436.382,2.837,5,0.432,0.62,1.0,0.8211397436776094,0.6100335823452814,0.6457576588307861,0.5362894935234048,0.6533051195942704
EOS-2-18384,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)c4)n23)cc1,UFZOIUMAJSONMD-UHFFFAOYSA-N,2,1,0.733,43,499,436.382,3.152,5,0.414,0.78,1.0,0.8566753478171476,0.7483808512096498,0.7918494277294222,0.7287283256802138,0.7814084881091083
EOS-2-18385,Cn1cc(-c2ccc(O)c(-c3cncc4nnc(-c5ccc(OC(F)F)nc5)n34)c2)nn1,VBIZSQNLBKTODR-UHFFFAOYSA-N,2,1,0.311,50,121,436.382,2.956,5,0.447,0.64,0.994,0.2838136522513878,0.38914399287231854,0.6951374134740593,0.6058871907340141,0.4934955623329449
EOS-2-18386,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nn4)n23)cc1,RRBSTBVSEFQGHH-UHFFFAOYSA-N,2,1,0.671,72,996,436.382,2.947,5,0.384,0.74,1.0,0.3181755876910424,0.4661178123500788,0.6188061133575492,0.5525923514495237,0.4889229662120485
EOS-2-18387,Cc1nnc(-c2ccco2)nc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,LAXVJRHTMMIFMP-UHFFFAOYSA-N,2,1,0.467,27,185,436.382,3.456,5,0.394,0.68,0.999,0.6217959701185662,0.552249674456857,0.27902474127887056,0.2467531354944829,0.42495588033719417
EOS-2-18388,Cn1cnnc1-c1cncc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,VNDGXOFPVUBIAG-UHFFFAOYSA-N,2,1,0.632,36,996,436.382,3.376,5,0.399,0.8,1.0,0.7025392365156603,0.7021451579740936,0.6977931601672264,0.6266277157151668,0.6822763175930368
EOS-2-18389,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nncn4-c4ccccc4)n23)nc1,VFHQZXTYUXBHDO-UHFFFAOYSA-N,2,1,0.419,19,54,436.382,2.947,5,0.384,0.64,0.998,0.4263929819751902,0.37006545130559937,0.5284764580906038,0.5028270851895004,0.4569404941402234
EOS-2-18390,COc1cccc(-c2cn(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)n1,OVKFBIBJMUXUIH-UHFFFAOYSA-N,2,1,0.687,61,996,436.382,3.044,5,0.4,0.72,1.0,0.10112398053594682,0.37492289767665,0.597457336714413,0.5162600233020355,0.3974410595572613
EOS-2-18391,CC(O)n1nnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1,GCLXVJXJNUGPEU-UHFFFAOYSA-N,2,1,0.524,61,941,436.382,3.026,5,0.447,0.65,1.0,0.4705897471043794,0.5617161263792749,0.5942019052840792,0.5690579809471592,0.5488914399287232
EOS-2-18392,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1nnnn1C,YNKXGHWHIRDVGC-UHFFFAOYSA-N,2,1,0.529,13,941,436.382,3.061,5,0.414,0.79,1.0,0.4953909944486327,0.5337279830032212,0.5315776848742375,0.49282948392844905,0.5133815365636352
EOS-2-18393,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nn2)no1,DXYHFUAGZSGHQJ-UHFFFAOYSA-N,2,1,0.494,27,51,436.382,3.456,5,0.394,0.76,1.0,0.6191145226509492,0.5477606058529231,0.44125659653210886,0.39917586183263654,0.5018268967171544
EOS-2-18394,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1nc[nH]n1,BMNCKTAFNZUXBJ-UHFFFAOYSA-N,2,1,0.474,47,718,436.382,2.837,5,0.432,0.58,1.0,0.6724179288602563,0.5865088067987115,0.6396837091357687,0.5194554862586526,0.6045164827633472
EOS-2-18395,OCc1ccc(-c2nnc3cncc(OCc4nnn(-c5ccc(F)c(F)c5)n4)n23)cc1,NKAKTSUIPSRFPY-UHFFFAOYSA-N,2,1,0.522,43,612,436.382,2.116,5,0.43,0.7,1.0,0.5735127818518264,0.5155147008429855,0.49696730861489957,0.5296072921664039,0.5289005208690288
EOS-2-18396,FC(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5cnco5)n34)ncn2)cn1,YDMAATMRIAXAKL-UHFFFAOYSA-N,2,1,0.434,18,194,436.382,3.19,5,0.379,0.57,0.844,0.6359656637653348,0.4618257830169282,0.5183760537317524,0.41498183811938866,0.507787334658351
EOS-2-18397,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)c4)n23)cc1,AILHWXZHJMZFAH-UHFFFAOYSA-N,2,1,0.743,1,431,436.378,4.022,5,0.377,0.73,1.0,0.9139281063669386,0.8112963470632581,0.8754112123912,0.8089575765883079,0.8523983106024262
EOS-2-18398,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1nnco1,IVZJRXFCJJHISP-UHFFFAOYSA-N,2,1,0.667,43,96,436.378,3.707,5,0.397,0.74,1.0,0.9606007127681447,0.8340586663011446,0.8363032006031115,0.7396768555959153,0.842659858817079
EOS-2-18399,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1nnco1,SGHMVXPHOXABAB-UHFFFAOYSA-N,2,1,0.511,43,178,436.378,3.707,5,0.397,0.7,1.0,0.929956822698924,0.765651771640052,0.8238297580700432,0.7287368926050305,0.8120438112535124
EOS-2-18400,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cccc(OC(F)F)c3)n12,KYFYJUFBIWRDGX-UHFFFAOYSA-N,2,1,0.41,96,697,436.378,4.118,5,0.392,0.69,1.0,0.6875214173120416,0.6336011925159345,0.869996915907066,0.7800613391816873,0.7427952162291822
EOS-2-18401,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnoc5)nc4)n23)cc1,ZDSMGMANTBFSIY-UHFFFAOYSA-N,2,1,0.693,97,996,436.378,4.022,5,0.377,0.77,1.0,0.9208416146939894,0.7346652045781646,0.8866424508258516,0.8156654787197588,0.8394536872044411
EOS-2-18402,OCc1cc(F)ccc1-c1nnc2cncc(OCc3ccc(-c4nnco4)cc3F)n12,ATFOYLWTDHCFKA-UHFFFAOYSA-N,2,1,0.535,43,909,436.378,3.191,5,0.432,0.77,0.997,0.9124802960729217,0.7656603385648687,0.8473116989925297,0.8111507093413748,0.8341507607429237
EOS-2-18403,COc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1ncco1,DAJRCKCJOSVILD-UHFFFAOYSA-N,2,1,0.435,49,703,436.378,3.707,5,0.397,0.68,0.987,0.7658231101363855,0.5522582413816737,0.6457662257556027,0.5461757247618395,0.6275058255088753
EOS-2-18404,COc1nc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1-c1ncco1,OXQPQSFWPPDALO-UHFFFAOYSA-N,2,1,0.422,49,703,436.378,3.707,5,0.397,0.65,1.0,0.7302875059968473,0.542860324857789,0.612723596737715,0.5296158590912207,0.603871821670893
EOS-2-18405,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)o1,DYPVYJJOVVRFLN-UHFFFAOYSA-N,2,1,0.632,13,996,436.378,4.543,5,0.382,0.79,1.0,0.9486412857240765,0.8773987389486669,0.8378195462956617,0.7315811116441642,0.8488601706531422
EOS-2-18406,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)o1,DYRBRIFULIFPMT-UHFFFAOYSA-N,2,1,0.726,43,96,436.378,3.707,5,0.397,0.76,1.0,0.9571996436159276,0.8603419916386814,0.7288653964772805,0.6325388938386677,0.7947364813926393
EOS-2-18407,COc1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1-c1cnco1,OINZGUWADCSRDX-UHFFFAOYSA-N,2,1,0.494,97,103,436.378,3.707,5,0.372,0.68,1.0,0.9299653896237406,0.6822356247001576,0.8328421629771777,0.7043982592008773,0.7873603591254883
EOS-2-18408,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1ncon1,UBSOCNUZXWSXRQ-UHFFFAOYSA-N,2,1,0.693,59,718,436.378,3.707,5,0.397,0.72,1.0,0.9460712082790761,0.7656689054896855,0.8220221369337263,0.7261411143855802,0.814975841272017
EOS-2-18409,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cc1,UKYFIVQGNCICMD-UHFFFAOYSA-N,2,1,0.771,1,431,436.378,4.022,5,0.377,0.74,1.0,0.9332722226029745,0.7994140223425399,0.8842180111027346,0.8176016037283257,0.8586264649441436
EOS-2-18410,c1nc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6nnco6)no5)n34)s2)no1,HMXLLXPYZKRAMH-UHFFFAOYSA-N,2,1,0.385,7,816,436.373,1.915,6,0.371,0.62,1.0,0.15790555822082106,0.09879377698581317,0.0050459187170173395,0.0032554314303337674,0.06625017133849632
EOS-2-18411,Fc1cccc(-c2ncncc2-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,XYGWZGZEIOORCL-UHFFFAOYSA-N,2,1,0.37,96,315,436.372,5.073,5,0.369,0.83,1.0,0.48308889041189773,0.7070026043451443,0.9918528544993489,0.9884346514974984,0.7925947501884724
EOS-2-18412,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)cn1,STHMDASZOSQBDE-UHFFFAOYSA-N,2,1,0.382,96,676,436.372,5.073,5,0.292,0.84,1.0,0.4732968953464464,0.6773696114042903,0.9933349324926325,0.9872095812487149,0.782802755123021
EOS-2-18413,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)nc2)ccn1,UYFJWRGLIBGTIT-UHFFFAOYSA-N,2,1,0.337,96,680,436.372,5.131,5,0.289,0.76,1.0,0.3679151531766157,0.7021537248989103,0.9828661503666644,0.9811527654033309,0.7585219484613803
EOS-2-18414,Fc1ccc(C(F)(F)F)cc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cc3)n12,PGHKUHCRHJHWMO-UHFFFAOYSA-N,2,1,0.337,96,558,436.372,5.073,5,0.369,0.84,1.0,0.4035963950380371,0.6532879857446371,0.994739908162566,0.9924268384620657,0.7610127818518264
EOS-2-18415,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nc2)c1,CTTRZZZUUPMIHL-UHFFFAOYSA-N,2,1,0.354,96,315,436.372,5.073,5,0.369,0.75,1.0,0.4585960523610445,0.667603317113289,0.9913731067096155,0.9853933931875813,0.7757414673428826
EOS-2-18416,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)c(F)c1,LRNZTNBPHWZSJP-UHFFFAOYSA-N,2,1,0.392,96,46,436.372,5.131,5,0.365,0.81,0.905,0.3817678706051676,0.7021622918237269,0.9763295867315468,0.9728000137070797,0.7582649407168802
EOS-2-18417,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c(F)c2)ccn1,AMDRRAWCSIXEEA-UHFFFAOYSA-N,2,1,0.395,96,46,436.372,5.131,5,0.289,0.74,0.303,0.38863854430813516,0.662754437667055,0.9808443561099308,0.976946405318347,0.752295935850867
EOS-2-18418,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c(F)c1,OUSYJOONBIZNDO-UHFFFAOYSA-N,2,1,0.545,83,163,436.368,5.807,5,0.334,0.79,1.0,0.9557175656226441,0.9762867521074635,0.9923840038379823,0.9955966006442327,0.9799962305530807
EOS-2-18419,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)cc1F,LKADQWGCACPWAY-UHFFFAOYSA-N,2,1,0.71,57,853,436.368,5.807,5,0.334,0.79,1.0,0.972431635939963,0.9777945308751971,0.9932406963196491,0.9963076554040162,0.9849436296347064
EOS-2-18420,Fc1cccc(Oc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5F)c4)n23)c1,PHGPWJCFGDSEOB-UHFFFAOYSA-N,2,1,0.615,57,163,436.368,5.807,5,0.264,0.78,1.0,0.8764221095195669,0.9358508669727914,0.9911246658899322,0.9944400657939826,0.9494594270440683
EOS-2-18421,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)nn2)cn1,YOZLCZRSCIYGKM-UHFFFAOYSA-N,2,1,0.424,54,670,436.357,3.035,5,0.387,0.66,0.998,0.6106675347817148,0.6532965526694537,0.7183452128024125,0.7182766774038791,0.675146494414365
EOS-2-18422,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)nc1,JAMHWLZJEYSCFM-UHFFFAOYSA-N,2,1,0.524,73,82,436.357,3.035,5,0.414,0.68,1.0,0.8784353368514838,0.9111866904256049,0.630285792611884,0.6556610239188541,0.7688922109519567
EOS-2-18423,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5cnc(F)cc5F)n34)cn2)cn1,LMEPBLASPGRYGZ-UHFFFAOYSA-N,2,1,0.449,55,390,436.357,3.035,5,0.387,0.66,1.0,0.7271091768898637,0.8075868686176411,0.7183537797272291,0.7018110479062436,0.7387152182852443
EOS-2-18424,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)n2)nc1,PSCFQFCBVRLQOQ-UHFFFAOYSA-N,2,1,0.517,73,82,436.357,3.035,5,0.414,0.68,1.0,0.7942995682269892,0.87451168528545,0.587733877047495,0.6325474607634843,0.7222731478308547
EOS-2-18425,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cn2)cn1,VZGQREWKJVPYQP-UHFFFAOYSA-N,2,1,0.471,55,283,436.357,3.035,5,0.387,0.66,1.0,0.8764306764443835,0.8658419573709821,0.7441744911246659,0.6989582619422932,0.7963513467205812
EOS-2-18426,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ncn2)c(F)n1,QRRFWUMDUPDXGO-UHFFFAOYSA-N,2,1,0.375,13,971,436.357,3.556,5,0.394,0.67,0.793,0.6786203824275238,0.6533051195942704,0.697801727092043,0.6789887601946405,0.6771789973271194
EOS-2-18427,FC(F)(F)Oc1ccccc1-c1nnc2cncc(-c3cnnc(-c4ccccn4)n3)n12,NFHCLBAYJBFFLH-UHFFFAOYSA-N,2,1,0.415,22,121,436.357,3.604,5,0.421,0.72,0.627,0.41027859639503805,0.5065793982592008,0.8238383249948599,0.7655918031663355,0.6265720307038586
EOS-2-18428,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)c(F)c1F,ILMKBNLHMGKWJV-UHFFFAOYSA-N,2,1,0.464,51,969,436.357,3.035,5,0.387,0.69,1.0,0.8053851689397574,0.8824617915153177,0.787651634569255,0.757658830786101,0.8082893564526078
EOS-2-18429,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccc5F)nn4)n23)cc1F,JFKVMRARDVSEET-UHFFFAOYSA-N,2,1,0.444,54,469,436.357,3.035,5,0.414,0.6,1.0,0.584872524158728,0.6149081625659654,0.7236310054142965,0.7423754369131657,0.6664467822630389
EOS-2-18430,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5F)n34)nn2)c1,SNNJOGQPOCWOQW-UHFFFAOYSA-N,2,1,0.383,54,411,436.357,3.035,5,0.387,0.65,0.572,0.7743386334041532,0.6822441916249743,0.7364813926392982,0.7343139606606812,0.7318445445822768
EOS-2-18431,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cnccn5)n4)n23)c(F)c1,YZRBTGLTVRFCJR-UHFFFAOYSA-N,2,1,0.506,73,540,436.357,3.035,5,0.414,0.61,1.0,0.7773456240148037,0.8932304160098691,0.5720906723322596,0.6180693578233157,0.715184017545062
EOS-2-18432,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cncnc5)n4)n23)cc1F,WYDJJVIVWQGFRF-UHFFFAOYSA-N,2,1,0.5,73,756,436.357,3.035,5,0.414,0.7,1.0,0.9139366732917552,0.9245339592899733,0.6841546158590912,0.6962168460009595,0.8047105236104448
EOS-2-18433,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ncn2)cn1,YWCYPSACUWKLAS-UHFFFAOYSA-N,2,1,0.389,46,564,436.357,3.035,5,0.387,0.54,0.892,0.7773541909396203,0.6481049962305531,0.7918579946542389,0.7679305736412857,0.7463119388664246
EOS-2-18434,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)nn1,CAJLFGXFLGEKJF-UHFFFAOYSA-N,2,1,0.533,96,121,436.357,3.446,5,0.413,0.75,0.999,0.5493112192447399,0.7656774724145021,0.772179768350353,0.7602717428551847,0.711860050716195
EOS-2-18435,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)n5)n34)nn2)c1,YMOXKKAPDJOEGX-UHFFFAOYSA-N,2,1,0.44,54,670,436.357,3.035,5,0.387,0.71,0.348,0.6218045370433829,0.6428192036186691,0.6734116921389898,0.6849770406414913,0.6557531183606333
EOS-2-18436,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nn5)nn4)n23)c(F)c1,WNHPJRARJHCKGB-UHFFFAOYSA-N,2,1,0.529,34,820,436.357,3.035,5,0.414,0.67,1.0,0.8053937358645741,0.8879017887739017,0.6457747926804195,0.6820985539030909,0.7552922178054965
EOS-2-18437,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)cn1,XHJWFFBVSGOVQJ-UHFFFAOYSA-N,2,1,0.455,2,434,436.357,3.035,5,0.387,0.67,1.0,0.8701853882530327,0.8442533068329793,0.7986772668083065,0.7499485984511,0.8157661400863546
EOS-2-18438,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)n2)nc1,KPCSMOBEHSHZTL-UHFFFAOYSA-N,2,1,0.5,73,446,436.357,3.035,5,0.414,0.68,1.0,0.8566839147419643,0.9049756699335206,0.5315862517990542,0.5817113289013776,0.7187392913439792
EOS-2-18439,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)nc5)n34)ncc2F)cn1,GSFMVYNEQPFVLK-UHFFFAOYSA-N,2,1,0.442,55,959,436.357,3.035,5,0.387,0.7,1.0,0.7830083613186211,0.857077993283531,0.6127321636625317,0.6210849153587829,0.7184758584058666
EOS-2-18440,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cn2)cn1,ORVSDCCZMFHYFW-UHFFFAOYSA-N,2,1,0.477,2,434,436.357,3.035,5,0.387,0.62,1.0,0.7800613391816873,0.837399766979645,0.765189157699952,0.7155780960866287,0.7745570899869783
EOS-2-18441,FC(F)(F)c1ccc(Oc2cncc3nnc(-c4cc(-c5ccnnc5)ncn4)n23)cc1,XRZRDTVFDXNEJS-UHFFFAOYSA-N,2,1,0.524,44,971,436.357,3.849,5,0.419,0.73,1.0,0.8335789185114112,0.6285981084230005,0.9472020423548763,0.8914827633472688,0.8252154581591392
EOS-2-18442,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)nc1F,NXIMEHONWLPUOR-UHFFFAOYSA-N,2,1,0.415,46,223,436.357,3.035,5,0.387,0.6,0.999,0.659995887876088,0.6872472757179083,0.7364899595641149,0.7072767459392776,0.6977524672743473
EOS-2-18443,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccnnc5)n4)n23)cc1F,JCZDHKRAKONJTR-UHFFFAOYSA-N,2,1,0.506,73,756,436.357,3.035,5,0.414,0.71,1.0,0.8263741347405935,0.9049842368583373,0.6925502021794256,0.7072853128640944,0.7827984716606127
EOS-2-18444,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5c(F)ccnc5F)n34)ccn2)nc1,NWLCHDLUDYPSRL-UHFFFAOYSA-N,2,1,0.471,73,775,436.357,3.035,5,0.387,0.63,1.0,0.8841323418545679,0.7656860393393188,0.6513946953601535,0.6385443081351518,0.734939346172298
EOS-2-18445,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5F)nn4)n23)n1,BDUUMEHBAXJIDG-UHFFFAOYSA-N,2,1,0.438,54,670,436.357,3.035,5,0.387,0.64,1.0,0.6191230895757659,0.6196028373654993,0.6188146802823659,0.6237749297512165,0.6203288842437119
EOS-2-18446,Fc1ccc(-c2nnc3cncc(Oc4ccnc(Oc5ccc(F)cc5F)n4)n23)cc1,HAJNKNBILGDLLG-UHFFFAOYSA-N,2,1,0.506,13,145,436.353,4.583,5,0.398,0.72,1.0,0.9259303680350901,0.9310790898499075,0.8924165581522857,0.8689174833801658,0.9045858748543623
EOS-2-18447,Fc1ccc(Oc2nccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)n2)cc1,WLFYCWMTKRXJED-UHFFFAOYSA-N,2,1,0.5,13,573,436.353,4.583,5,0.398,0.72,1.0,0.7943081351518059,0.687255842642725,0.8878332533753683,0.8804913988074841,0.8124721574943459
EOS-2-18448,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4C(F)(F)F)n23)cc1,JZQWOBLPBIKWTG-UHFFFAOYSA-N,2,1,0.806,48,444,436.34,4.991,4,0.399,0.82,1.0,0.9946885066136659,0.9808272222602974,0.9987920636008498,0.9968045370433829,0.9927780823795491
EOS-2-18451,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)cc1,SGGRCAPGPGTMGZ-UHFFFAOYSA-N,2,1,0.844,48,40,436.34,4.991,4,0.399,0.87,1.0,0.989608320197382,0.9795421835377973,0.9992632444657665,0.9979353711191831,0.9915872798300321
EOS-2-18454,Cc1cc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)cn4C)n23)ccc1Cl,IGTMLXPYWXRKNM-UHFFFAOYSA-N,2,1,0.338,22,844,436.306,4.869,5,0.378,0.86,0.988,0.1661640737440888,0.3841666095538346,0.7104379411966281,0.7983088890411898,0.5147693783839353
EOS-2-18455,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5C)n34)nc2)n[nH]1,CQUXIHRFSVSXGY-UHFFFAOYSA-N,2,1,0.293,96,140,436.306,5.167,5,0.422,0.73,0.352,0.2838222191762045,0.39857617709546983,0.7938969227606059,0.8335789185114112,0.5774685593859228
EOS-2-18456,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)c(Cl)c1,JQJVEWNENBPZPY-UHFFFAOYSA-N,2,1,0.577,57,146,436.302,5.468,5,0.367,0.77,1.0,0.733183126584881,0.8774073058734837,0.9365961894318415,0.955100747035844,0.8755718422315126
EOS-2-18457,Fc1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,OXWGGOFXAYNNBH-UHFFFAOYSA-N,2,1,0.435,83,533,436.277,5.966,5,0.35,0.84,1.0,0.45860461928586116,0.8075954355424577,0.9671801110273456,0.9862500856692482,0.8049075628812281
EOS-2-18458,Fc1cc(-c2ccc(Cl)nc2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,PSXZQPBXRMLRKP-UHFFFAOYSA-N,2,1,0.47,83,533,436.277,5.966,5,0.327,0.87,1.0,0.4586131862106778,0.8190065793982592,0.9770577753409636,0.9910304297169488,0.8114269926667124
EOS-2-18459,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cnc1Cl,RLNGZGUVPPGKQU-UHFFFAOYSA-N,2,1,0.463,83,558,436.277,5.966,5,0.327,0.86,1.0,0.435139812213008,0.7994225892673565,0.9759954766636968,0.9896597217462819,0.8000543999725858
EOS-2-18460,Fc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cnc1Cl,GMHXPATVUHAMKK-UHFFFAOYSA-N,2,1,0.437,83,558,436.277,5.966,5,0.327,0.81,1.0,0.43300664793365773,0.7784164896168871,0.9741878555273799,0.9891971078061819,0.7937020252210267
EOS-2-18461,Fc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1Cl,ODXVEUDWUMZOPQ-UHFFFAOYSA-N,2,1,0.463,83,558,436.277,5.966,5,0.327,0.86,1.0,0.4309677198272908,0.7913782468645055,0.9763381536563636,0.9896682886710986,0.7970881022548146
EOS-2-18462,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)ccc1Cl,WXBGRJALNMEVER-UHFFFAOYSA-N,2,1,0.437,45,533,436.277,5.966,5,0.35,0.87,1.0,0.39078884243711876,0.7610684668631348,0.9732283599479131,0.9892056747309985,0.7785728359947912
EOS-2-18463,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cnc2Cl)cc1,DBNMVCPBPJIVLV-UHFFFAOYSA-N,2,1,0.477,83,533,436.277,5.966,5,0.327,0.88,1.0,0.44238743060790897,0.8113049139880748,0.9746076348433966,0.9904907134534987,0.8046976732232198
EOS-2-18464,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1Cl,ISELXZSFSDZUIL-UHFFFAOYSA-N,2,1,0.435,83,533,436.277,5.966,5,0.35,0.88,1.0,0.4423959975327256,0.7913868137893222,0.9732369268727298,0.9892142416558152,0.7990584949626482
EOS-2-18465,Fc1cc(Cl)cc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)c1,OPMOJKWOIQGLIV-UHFFFAOYSA-N,2,1,0.448,45,533,436.277,5.966,5,0.35,0.81,1.0,0.44705640463299295,0.7784250565417038,0.9714036049619629,0.9887087930916318,0.7963984648070729
EOS-2-18466,Fc1ccc(Cl)cc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,IBAXXQHRMUNRBN-UHFFFAOYSA-N,2,1,0.47,83,533,436.277,5.966,5,0.35,0.87,1.0,0.43514837913782467,0.8190151463230758,0.972097525872113,0.9892228085806319,0.8038709649784114
EOS-2-18467,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(Br)c5)n34)cc2)cn1,CMJXJSCPAGQLQT-UHFFFAOYSA-N,2,1,0.362,96,558,463.726,5.331,5,0.338,0.81,1.0,0.2920464670002056,0.417423411692139,0.8888355835789186,0.9145277911041053,0.6282083133438421
EOS-2-18468,Clc1ccc(-c2nnc3cncc(Oc4cnc(-c5ccc(Cl)cn5)cn4)n23)cc1,DTYFABIHZCMRCW-UHFFFAOYSA-N,2,1,0.514,13,110,436.262,4.742,5,0.402,0.75,1.0,0.7658316770612021,0.9310876567747242,0.7288739634020972,0.8111592762661914,0.8092381433760538
EOS-2-18469,Clc1ccc(Oc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)c(Cl)c1,GOILRUSPNIQZGX-UHFFFAOYSA-N,2,1,0.4,13,110,436.262,4.742,5,0.402,0.77,1.0,0.5543228702624906,0.5617246933040916,0.8238468919196765,0.8736035912548832,0.7033745116852854
EOS-2-18470,Clc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)c(Cl)c1,XIAHTMPIOKGWRF-UHFFFAOYSA-N,2,1,0.512,13,145,436.262,4.742,5,0.402,0.79,1.0,0.7360616133232815,0.7610770337879514,0.8441933383592626,0.8888270166541018,0.8075397505311493
EOS-2-18471,Clc1cc(Cl)cc(Oc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)c1,SZGKTAJGDXYBAP-UHFFFAOYSA-N,2,1,0.409,13,110,436.262,4.742,5,0.402,0.76,1.0,0.5708827359331095,0.610042149270098,0.8148173531629086,0.8736121581796998,0.717338599136454
EOS-2-18472,Clc1ccc(Oc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)cn1,YBZFURNUCHHMQM-UHFFFAOYSA-N,2,1,0.452,13,284,436.262,4.742,5,0.376,0.77,1.0,0.6417826057158522,0.7571619491467343,0.8007590295387568,0.8395243643341787,0.7598069871838805
EOS-2-18473,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,YFMKCGYUTYFBFB-UHFFFAOYSA-N,2,1,0.43,13,110,436.262,4.742,5,0.402,0.76,1.0,0.6390583236241518,0.7021708587485436,0.7743900349530533,0.8375454047015284,0.7382911555068192
EOS-2-18474,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)c1,DDNMDLVAFQKRFP-UHFFFAOYSA-N,2,1,0.459,2,995,436.262,4.742,5,0.402,0.77,1.0,0.6164073744088822,0.6872644095675416,0.8599307792474813,0.8983877047495031,0.765497566993352
EOS-2-18475,Clc1ccc(Oc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)cc1Cl,YWGZWPJPGPWBMK-UHFFFAOYSA-N,2,1,0.488,44,971,436.262,4.742,5,0.402,0.73,1.0,0.6301915564389007,0.605116167500514,0.7313926392981975,0.8156740456445755,0.6955936022205469
EOS-2-18476,Clc1ccc(Oc2cncc3nnc(-c4cc(-c5cc(Cl)ccn5)ncn4)n23)cc1,UDNXKLVZCGRUEU-UHFFFAOYSA-N,2,1,0.482,44,971,436.262,4.742,5,0.402,0.79,1.0,0.5388681378932219,0.5292560482489206,0.7236395723391131,0.8314628880816942,0.6558066616407374
EOS-2-18477,Clc1ccc(Oc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)c(Cl)c1,LVLUDDHVGXNKMX-UHFFFAOYSA-N,2,1,0.482,13,110,436.262,4.742,5,0.402,0.72,1.0,0.6106761017065314,0.6533136865190871,0.8344955794667946,0.8748372284284833,0.743330649030224
EOS-2-18478,Clc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cn1,PDFGUGGUMFTCLS-UHFFFAOYSA-N,2,1,0.458,72,284,436.262,4.742,5,0.376,0.82,1.0,0.730296072921664,0.795104859159756,0.7743986018778699,0.8216194914673429,0.7803547563566582
EOS-2-18479,Fc1ccc(Br)cc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,WJGSCIANMGTLJM-UHFFFAOYSA-N,2,1,0.403,45,46,436.248,4.145,5,0.46,0.73,1.0,0.3540967034473305,0.4396888492906586,0.7939054896854225,0.8273764649441436,0.6037668768418888
EOS-2-18480,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(C(F)(F)Cl)c5)n34)c(F)c2F)o1,XRIYBZPVJUSBSH-UHFFFAOYSA-N,2,1,0.321,50,243,463.782,4.642,5,0.285,0.56,1.0,0.2753409636077034,0.4746933040915633,0.9773918854088136,0.9512199300938935,0.6696615208004935
EOS-2-18481,Fc1cc(F)c(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)c(F)c1,SNSWSUVYDXSXSA-UHFFFAOYSA-N,2,1,0.657,23,708,436.191,3.945,4,0.485,0.72,1.0,0.8027722568706737,0.8879103556987183,0.9301538619697074,0.9338119388664246,0.888662103351381
EOS-2-18482,Fc1ccc(-c2nnc3cncc(OCc4cc(Br)c(F)cn4)n23)cc1F,PEFFUZCEYAJRBK-UHFFFAOYSA-N,2,1,0.613,23,708,436.191,3.945,4,0.485,0.72,1.0,0.9109810842300048,0.9428329106983757,0.9582276745939278,0.9582105407442945,0.9425630525666507
EOS-2-18483,N#Cc1cc(-c2nnc3cncc(Oc4ccc(-c5cnn(C(F)F)c5)cc4)n23)ccc1Cl,FFIKQRQJAZHVHO-UHFFFAOYSA-N,2,1,0.524,13,15,463.835,5.367,5,0.348,0.76,1.0,0.6632341854567885,0.8690288534027826,0.9739308477828799,0.9658265369063121,0.8680051058871907
EOS-2-18484,N#Cc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(F)c(Cl)c5)c4)n23)cc1F,PEFBDFSPCOPVPZ-UHFFFAOYSA-N,2,1,0.535,59,607,463.835,4.359,5,0.384,0.71,1.0,0.6566462202727709,0.769960934822836,0.959666917963128,0.9606778150914947,0.8367379720375574
EOS-2-18485,Cn1nc(-c2nnc3ccccn23)c(F)c1-c1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,MIKXHEGYIAJAEL-UHFFFAOYSA-N,2,1,0.372,22,844,463.839,3.833,6,0.396,0.71,1.0,0.3053594681653074,0.492572476183949,0.4264186827496402,0.6501267904872867,0.46861935439654584
EOS-2-18486,Cn1c(=O)cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)[nH]c1=O,OEDMAWMSXWJSEH-UHFFFAOYSA-N,2,1,0.394,51,196,463.845,1.263,5,0.407,0.67,0.998,0.48560756630799806,0.4080254951682544,0.09997601261051332,0.12159893084778288,0.2788020012336372
EOS-2-18487,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)ncn2)oc1=O,CKXJIFJOSYAGHL-UHFFFAOYSA-N,2,1,0.353,31,296,463.845,1.97,5,0.34,0.64,0.483,0.41241176067438834,0.2708433280789528,0.03782297306558838,0.04846309368788979,0.1923852888767048
EOS-2-18488,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)n[nH]1,FXZZFLZGDKVHIN-UHFFFAOYSA-N,2,1,0.549,11,669,463.86,3.351,5,0.384,0.71,1.0,0.8822133506956343,0.7656946062641354,0.703010417380577,0.7209838256459461,0.7679755499965732
EOS-2-18489,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)n[nH]1,JKHCYYMKXZLDQF-UHFFFAOYSA-N,2,1,0.522,35,429,463.86,3.351,5,0.411,0.73,1.0,0.8361661298060448,0.7299105613049139,0.7004489068603934,0.7343225275854979,0.7502120313892124
EOS-2-18490,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)cc1=O,PFSLVVSBGGXUME-UHFFFAOYSA-N,2,1,0.61,59,294,463.86,3.319,5,0.394,0.74,1.0,0.6566547871975875,0.6428277705434857,0.7130851209649784,0.7182852443286958,0.6827132307586868
EOS-2-18491,COc1cc(-c2nnc3cncc(OCc4cccnc4-c4cnc(F)cn4)n23)ccc1Cl,DPJSCRYCELSZHF-UHFFFAOYSA-N,2,1,0.495,24,67,463.86,4.023,5,0.372,0.62,1.0,0.9460797752038929,0.9281920361866904,0.6841631827839079,0.6357771914193681,0.7985530463984648
EOS-2-18492,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)n[nH]1,LKVQJFCOACINNB-UHFFFAOYSA-N,2,1,0.655,84,360,463.86,3.351,5,0.411,0.75,0.999,0.8501216503323967,0.7610856007127681,0.7004574737852101,0.7155866630114454,0.756812846960455
EOS-2-18493,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2F)cn1,WGCACVGUAXNCIS-UHFFFAOYSA-N,2,1,0.542,16,716,463.86,4.023,5,0.348,0.68,1.0,0.9365447878829415,0.7951134260845727,0.7515077787677336,0.6789973271194572,0.7905408299636763
EOS-2-18494,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cncnc1Cl,FLDQLXUNVQWPQK-UHFFFAOYSA-N,2,1,0.474,4,83,463.86,4.023,5,0.275,0.68,1.0,0.7859382496059215,0.739377013227332,0.7537094784456172,0.6790058940442739,0.7395076588307861
EOS-2-18495,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cncc(F)c5)nn4)n23)ccc1Cl,YXJOHCSQQBSGSV-UHFFFAOYSA-N,2,1,0.495,4,67,463.86,4.023,5,0.372,0.75,1.0,0.8184154615859092,0.8906346377904187,0.7314012062230142,0.6989668288671098,0.7848545336166131
EOS-2-18496,COc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)n1,XBMGXTJOHIJCSN-UHFFFAOYSA-N,2,1,0.5,55,109,463.86,4.023,5,0.372,0.68,1.0,0.8913885271742855,0.8570865602083476,0.7236481392639298,0.6790144609690906,0.7877844219039133
EOS-2-18497,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)ccc2F)ccc1=O,YVSXZTFVKOAYKA-UHFFFAOYSA-N,2,1,0.467,4,534,463.86,3.319,5,0.394,0.62,1.0,0.5652199986292921,0.6921646905626756,0.7054434240285107,0.7261496813103968,0.6722444486327188
EOS-2-18498,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccc2F)cc1=O,ULOWRBQAGDFXGH-UHFFFAOYSA-N,2,1,0.523,4,605,463.86,3.319,5,0.394,0.66,1.0,0.5362038242752382,0.614916729490782,0.6816445068878075,0.7018196148310603,0.633646168871222
EOS-2-18499,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5ccc(O)c(F)c5)nn4)n23)ccc1Cl,LGTJOLJJGHWCIZ-UHFFFAOYSA-N,2,1,0.462,34,521,463.86,4.029,5,0.416,0.71,1.0,0.8724556233294497,0.9131656500582551,0.6925587691042423,0.7209923925707628,0.7997931087656774
EOS-2-18500,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)cn5)c4)n23)ccc1Cl,WOBFIQJOALOWBB-UHFFFAOYSA-N,2,1,0.478,16,67,463.86,4.023,5,0.372,0.76,1.0,0.9355167569049414,0.9188626550613391,0.7962014255362895,0.7287454595298472,0.8448315742581043
EOS-2-18501,OCc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,UWAGDQOBKRJDIV-UHFFFAOYSA-N,2,1,0.535,46,181,463.86,3.507,5,0.407,0.69,1.0,0.67557055719279,0.6336097594407512,0.760468782125968,0.7447056404632993,0.7035886848057021
EOS-2-18502,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5F)cn4)n23)ccc1Cl,LBEYNMJIUGBRQU-UHFFFAOYSA-N,2,1,0.505,97,67,463.86,4.023,5,0.348,0.73,1.0,0.8312230141868275,0.8824703584401343,0.7212151326159961,0.6643393187581386,0.7748119560002741
EOS-2-18503,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cncc(F)c1,GZBQNIQVSXBJDV-UHFFFAOYSA-N,2,1,0.452,16,83,463.86,4.023,5,0.372,0.63,1.0,0.8312315811116442,0.7741501610581866,0.7261925159344802,0.6821071208279076,0.7534203447330546
EOS-2-18504,Oc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1ccncn1,BMUCHMUBKBMAQO-UHFFFAOYSA-N,2,1,0.495,35,265,463.86,3.763,5,0.405,0.56,0.995,0.9078113220478377,0.8408608046055788,0.7515163456925502,0.7343310945103145,0.8086298917140702
EOS-2-18505,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)cn1,AANAGLSYHUJTAQ-UHFFFAOYSA-N,2,1,0.524,16,716,463.86,4.023,5,0.372,0.7,1.0,0.9299739565485573,0.8113134809128915,0.7466246316222329,0.6904855732986087,0.7945994105955726
EOS-2-18506,OCc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)cn1,KGJCVABVXLBSIE-UHFFFAOYSA-N,2,1,0.518,16,716,463.86,3.507,5,0.407,0.68,1.0,0.8984219724487698,0.8374083339044617,0.7558512096497841,0.752552943595367,0.8110586148995956
EOS-2-18507,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c(F)c2)cn1,LRIQRJKOZINNHG-UHFFFAOYSA-N,2,1,0.457,4,401,463.86,3.507,5,0.407,0.61,1.0,0.7715629497635529,0.8374169008292783,0.7262010828592969,0.7210009594955795,0.764045473236927
EOS-2-18508,COc1cncnc1-c1ccc(-c2nnc3cncc(OCc4ccncc4Cl)n23)c(F)c1,VQCKMGKRDCUJFJ-UHFFFAOYSA-N,2,1,0.441,16,772,463.86,4.023,5,0.372,0.67,1.0,0.9286460832019738,0.8774158727983004,0.7767545062024536,0.7315896785689808,0.8286015351929272
EOS-2-18509,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)n[nH]c1=O,AWGPOWROKXWUFC-UHFFFAOYSA-N,2,1,0.454,4,526,463.86,3.617,5,0.423,0.62,0.999,0.5465783702282229,0.49258104310876566,0.6069494894112809,0.6295319032280172,0.5689102014940717
EOS-2-18510,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c(F)c2)cc1=O,IMIPMXLVCGXVIF-UHFFFAOYSA-N,2,1,0.462,16,470,463.86,3.319,5,0.368,0.68,1.0,0.5965235419093962,0.6149252964155987,0.7183623466520458,0.7210095264203962,0.6627051778493592
EOS-2-18511,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2)cn1,PQBJHFNJECJIJS-UHFFFAOYSA-N,2,1,0.506,16,526,463.86,4.023,5,0.372,0.74,1.0,0.7859468165307382,0.7741587279830032,0.6572202042354877,0.5997618394900966,0.7042718970598314
EOS-2-18512,OCc1cc(Cl)nc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)ccn2)n1,BHCYTXMWHRZLEY-UHFFFAOYSA-N,2,1,0.551,59,183,463.86,3.507,5,0.381,0.65,1.0,0.7743472003289699,0.7161949146734288,0.6363683092317182,0.6528168048797204,0.6949318072784593
EOS-2-18513,O=c1ccc(-c2cccc(-c3nnc4cncc(OCCc5nc(F)ccc5Cl)n34)c2)n[nH]1,IYZDRXQUDWHIMU-UHFFFAOYSA-N,2,1,0.455,11,848,463.86,3.351,5,0.384,0.6,1.0,0.7211380302926461,0.6428363374683024,0.5685696662326092,0.6210934822835995,0.6384093790692893
EOS-2-18514,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccccn5)n4)n23)ccc1Cl,NSCDSVUHOFJZIE-UHFFFAOYSA-N,2,1,0.457,24,67,463.86,4.023,5,0.372,0.66,1.0,0.9208501816188062,0.9226663696799396,0.5486601329586731,0.5331968336645878,0.7313433794805017
EOS-2-18515,Cc1nc(-c2ccc(CO)nc2)cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)n1,YLWGRUNEMOPNBX-UHFFFAOYSA-N,2,1,0.378,13,500,463.86,4.029,5,0.416,0.64,1.0,0.6218131039681996,0.657777054348571,0.6734202590638064,0.6643478856829552,0.6543395757658831
EOS-2-18516,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccncc5Cl)n34)cn2)cc1F,BQRABRBABHPXBE-UHFFFAOYSA-N,2,1,0.449,55,879,463.86,4.023,5,0.372,0.79,1.0,0.8312401480364608,0.8340672332259612,0.7288825303269139,0.6614094304708382,0.7638998355150435
EOS-2-18517,COc1cc(-c2nnc3cncc(OCc4nncc(-c5cccc(F)c5)n4)n23)ccc1Cl,ZYRLKELLRMBHON-UHFFFAOYSA-N,2,1,0.457,34,67,463.86,4.023,5,0.372,0.68,1.0,0.8998697827427866,0.9328181755876911,0.6626859022685216,0.684985607566308,0.7950898670413268
EOS-2-18518,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)cn1,SLAKMPXJQFHYRY-UHFFFAOYSA-N,2,1,0.494,59,577,463.86,3.507,5,0.407,0.73,1.0,0.7390343362346652,0.7346737715029813,0.7389829346857651,0.7343396614351313,0.7367576759646358
EOS-2-18519,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)ccc1Cl,JHOJTLQWAONFIX-UHFFFAOYSA-N,2,1,0.495,4,817,463.86,4.023,5,0.372,0.71,1.0,0.7999366047563566,0.8906432047152354,0.7537180453704339,0.7018281817558769,0.7865315091494757
EOS-2-18520,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)cc1=O,XYSMDLAPRFOXDX-UHFFFAOYSA-N,2,1,0.456,59,332,463.86,3.319,5,0.394,0.7,1.0,0.5708913028579261,0.5811287780138441,0.6678431910081557,0.6935696662326092,0.6283582345281338
EOS-2-18521,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(F)cnc5Cl)n4)n23)cc1,UZVZYMUQKIZDGZ-UHFFFAOYSA-N,2,1,0.489,16,401,463.86,3.507,5,0.381,0.63,1.0,0.8211483106024261,0.7527756836406003,0.7389915016105819,0.7287540264546638,0.760417380577068
EOS-2-18522,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cc2)n[nH]1,AHUGBNZTMFBAIO-UHFFFAOYSA-N,2,1,0.495,91,273,463.86,3.351,5,0.384,0.63,1.0,0.8679237201014324,0.7439346172297991,0.6246744568569667,0.6443184154615859,0.720212802412446
EOS-2-18523,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccc(F)cn1,GCABXUUILWSLCI-UHFFFAOYSA-N,2,1,0.455,73,196,463.86,4.023,5,0.372,0.69,1.0,0.922015283393873,0.8268967171544103,0.6331985470495511,0.5908436707559455,0.743238554588445
EOS-2-18524,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)cn1,GAJZFNSQBLVNHU-UHFFFAOYSA-N,2,1,0.477,59,332,463.86,4.023,5,0.372,0.81,1.0,0.8081779864299911,0.7951219930093893,0.695145980398876,0.6443269823864026,0.7356932355561647
EOS-2-18525,OCc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)ccc1F,PPYZWGVMUCHXPF-UHFFFAOYSA-N,2,1,0.398,44,488,463.86,3.507,5,0.381,0.66,0.837,0.7303046398464808,0.6676118840381057,0.8220307038585429,0.8067987115345076,0.7566864848194091
EOS-2-18526,COc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,VNZOFTNGSHMJHY-UHFFFAOYSA-N,2,1,0.472,44,89,463.86,4.023,5,0.372,0.75,1.0,0.7390429031594818,0.5759029538756768,0.5974659036392297,0.6026231923788636,0.6287587382633131
EOS-2-18527,COc1cc(-c2nnc3cncc(OCc4ncc(-c5cccnc5F)cn4)n23)ccc1Cl,SGKYMDAISOZVFN-UHFFFAOYSA-N,2,1,0.462,97,969,463.86,4.023,5,0.348,0.73,1.0,0.9332807895277911,0.9207987800699061,0.7212236995408128,0.670053457610856,0.8113391816873415
EOS-2-18528,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)cn1,GPNOQXYSXWATQB-UHFFFAOYSA-N,2,1,0.641,59,294,463.86,4.023,5,0.372,0.79,1.0,0.9063121102049209,0.8570951271331643,0.7416643821533823,0.6700620245356727,0.7937834110067851
EOS-2-18529,COc1ccc(-c2nnc3cncc(-c4c(F)nc(C)nc4Oc4ccc(Cl)cc4)n23)cn1,XFFDUOMPHIROOO-UHFFFAOYSA-N,2,1,0.4,96,478,463.86,4.545,5,0.35,0.75,1.0,0.5543314371873073,0.6286066753478171,0.5452419299568227,0.49602494688506615,0.5560512473442534
EOS-2-18530,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)cn1,RZSPMKUEIFSQMR-UHFFFAOYSA-N,2,1,0.536,97,335,463.86,4.023,5,0.372,0.76,1.0,0.9109896511548214,0.9549893770132273,0.5752947022136934,0.5493968884929066,0.7476676547186621
EOS-2-18531,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2F)n[nH]1,QZFNJEVQMDOAQD-UHFFFAOYSA-N,2,1,0.505,11,490,463.86,3.351,5,0.411,0.6,0.998,0.7999451716811733,0.7206582825029128,0.6541018436022206,0.6989753957919266,0.7184201733945583
EOS-2-18532,COc1cc(-c2ccc(F)cn2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,KRKLLGVTTTWUGS-UHFFFAOYSA-N,2,1,0.435,73,196,463.86,4.023,5,0.372,0.68,1.0,0.8478599821807964,0.734682338427798,0.6217531354944829,0.5847611541361113,0.6972641525597971
EOS-2-18533,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)cn4)n23)ccc1Cl,QPELDEFTBKTJOW-UHFFFAOYSA-N,2,1,0.56,73,82,463.86,4.023,5,0.372,0.72,1.0,0.8658676581454321,0.904992803783154,0.687024535672675,0.629540470152834,0.7718563669385238
EOS-2-18534,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccc(F)cn1,GGMCBYZPQBFCOC-UHFFFAOYSA-N,2,1,0.462,72,224,463.86,4.023,5,0.372,0.66,1.0,0.8288585429374272,0.795130559934206,0.6734288259886231,0.6266362826399835,0.73101355287506
EOS-2-18535,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccc2F)cc1=O,CXGXHRDLFBVJLH-UHFFFAOYSA-N,2,1,0.506,16,605,463.86,3.319,5,0.368,0.67,1.0,0.6815588376396409,0.6481135631553697,0.7364985264889315,0.739685422520732,0.7014640874511685
EOS-2-18536,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(Oc4ncccn4)nc3)n12,HPXYXUHYAPEDRI-UHFFFAOYSA-N,2,1,0.576,84,749,463.86,4.183,5,0.354,0.73,1.0,0.7630302926461517,0.8036803509012405,0.6457833596052361,0.6123038174216983,0.7061994551435816
EOS-2-18537,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)cn1,FAYZCPRXQZOTEH-UHFFFAOYSA-N,2,1,0.5,55,109,463.86,4.023,5,0.372,0.72,1.0,0.8237355218970598,0.8230844356109931,0.7212322664656295,0.6614179973956549,0.7573675553423342
EOS-2-18538,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cn1,GSZGPPLWVOVXLJ-UHFFFAOYSA-N,2,1,0.641,59,294,463.86,4.023,5,0.372,0.77,1.0,0.9078198889726544,0.8571036940579809,0.7416729490781989,0.6700705914604893,0.794166780892331
EOS-2-18539,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccc(F)cc1,YQNYVBHHTHYAQU-UHFFFAOYSA-N,2,1,0.432,49,210,463.86,4.023,5,0.372,0.79,0.998,0.7687358645740525,0.7070111712699609,0.5248954835172367,0.5226766499897197,0.6308297923377424
EOS-2-18540,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)cn1,MAVJSXNMVUWFSX-UHFFFAOYSA-N,2,1,0.658,59,294,463.86,4.023,5,0.372,0.75,1.0,0.8913970940991022,0.8852460420807347,0.7466331985470496,0.6849941744911247,0.8020676273045028
EOS-2-18541,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5cc(F)ccn5)n4)n23)ccc1Cl,VYUKDXXVRVNELN-UHFFFAOYSA-N,2,1,0.5,4,67,463.86,4.023,5,0.372,0.61,1.0,0.8335874854362278,0.8957576588307861,0.6457919265300528,0.6180779247481324,0.7483037488862997
EOS-2-18542,Fc1cc(Cl)c(COc2cncc3nnc(-c4ccc(-c5nnc(C6CC6)o5)cc4)n23)cn1,ZGFQPSGIJXOUFM-UHFFFAOYSA-N,2,1,0.489,72,22,463.86,4.485,6,0.339,0.71,1.0,0.8081865533548077,0.7299191282297307,0.30463127955589064,0.47776026317593034,0.5801243060790898
EOS-2-18543,OCc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cc(Cl)ncn5)n4)n23)cc1,MKXWJDPKAAWKQK-UHFFFAOYSA-N,2,1,0.479,4,268,463.86,3.507,5,0.381,0.73,1.0,0.8701939551778494,0.7913953807141388,0.7183709135768624,0.6989839627167432,0.7697360530463985
EOS-2-18544,COc1cccc(Cl)c1COc1cncc2nnc(-c3cc(-c4cccnc4F)ncn3)n12,UCTJGZINCOOBRU-UHFFFAOYSA-N,2,1,0.4,44,488,463.86,4.023,5,0.348,0.67,0.772,0.7178997327119457,0.6481221300801864,0.707936399150161,0.670079158385306,0.6860093550818998
EOS-2-18545,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)cc1F,SRBWWSVUBFSLAR-UHFFFAOYSA-N,2,1,0.454,16,401,463.86,3.507,5,0.381,0.63,1.0,0.7715715166883695,0.815322801727092,0.7835909122061545,0.7703550133644027,0.7852100609965047
EOS-2-18546,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)cc1=O,NWMINMZDMVXRFD-UHFFFAOYSA-N,2,1,0.394,59,332,463.86,3.319,5,0.394,0.75,1.0,0.44240456445754234,0.37493146460146665,0.6706274415735728,0.6989925296415599,0.5467390000685355
EOS-2-18547,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)c(F)c1,ZFGDIXBYOVLKQA-UHFFFAOYSA-N,2,1,0.465,20,279,463.86,3.763,5,0.405,0.62,0.996,0.8566924816667809,0.8603505585634981,0.6007127681447467,0.6414399287231856,0.7397989342745528
EOS-2-18548,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nc2)n[nH]1,UGJUPEXEGWROEV-UHFFFAOYSA-N,2,1,0.568,19,308,463.86,3.351,5,0.411,0.83,0.943,0.7715800836131862,0.6196114042903159,0.7004660407100267,0.7155952299362621,0.7018131896374477
EOS-2-18549,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2F)cc1=O,FYBYZXQTTQYWFL-UHFFFAOYSA-N,2,1,0.511,16,605,463.86,3.319,5,0.394,0.7,1.0,0.6786289493523405,0.6286152422726338,0.7236567061887464,0.7396939894455486,0.6926487218148174
EOS-2-18550,COc1cc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)ccc1Cl,RPLRHTNDCWQIPI-UHFFFAOYSA-N,2,1,0.456,97,969,463.86,4.023,5,0.348,0.72,1.0,0.9165752861352888,0.9245425262147899,0.7441830580494826,0.6904941402234254,0.8189487526557467
EOS-2-18551,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2F)ccc1=O,UBYJQBPREQAWCP-UHFFFAOYSA-N,2,1,0.511,43,992,463.86,3.319,5,0.368,0.7,1.0,0.7057689671715441,0.6051247344253307,0.6598588170790213,0.6614265643204715,0.658044770749092
EOS-2-18552,COc1ncncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,BVDHMAWQZLMKTB-UHFFFAOYSA-N,2,1,0.529,46,294,463.86,4.023,5,0.372,0.71,1.0,0.8054023027893907,0.6627630045918717,0.7651977246247686,0.707293879788911,0.7351642279487355
EOS-2-18553,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cc(F)cnn5)cn4)n23)ccc1Cl,JGSVBBVOCXRSTR-UHFFFAOYSA-N,2,1,0.545,4,67,463.86,4.023,5,0.372,0.47,1.0,0.7859553834555548,0.877424439723117,0.7652062915495854,0.7182938112535124,0.7867199814954424
EOS-2-18554,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cc1=O,HQNUMSALVUYHLT-UHFFFAOYSA-N,2,1,0.61,59,294,463.86,3.319,5,0.394,0.74,1.0,0.6600044548009046,0.642844904393119,0.7130936878897951,0.7156037968610788,0.6828867109862243
EOS-2-18555,O=c1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)cc(Cl)[nH]1,JXRHMTXVAIWXEV-UHFFFAOYSA-N,2,1,0.557,84,494,463.86,3.351,5,0.384,0.55,1.0,0.7331916935096977,0.6921732574874923,0.7858525803577547,0.8089661435131246,0.7550459187170173
EOS-2-18556,O=c1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)n[nH]1,ZBQUNDXTSKIUPT-UHFFFAOYSA-N,2,1,0.522,84,752,463.86,3.351,5,0.411,0.61,1.0,0.6245716537591666,0.5865173737235282,0.7156551984099787,0.7423840038379823,0.6672820574326639
EOS-2-18557,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c2)cc1=O,QMOXTKSWLFBRRN-UHFFFAOYSA-N,2,1,0.411,59,160,463.86,3.319,5,0.394,0.68,1.0,0.4309762867521075,0.3795490370776506,0.692567336029059,0.7156123637858954,0.5546762559111781
EOS-2-18558,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)cc1=O,CLLGQBSUECPUPA-UHFFFAOYSA-N,2,1,0.5,16,605,463.86,3.319,5,0.394,0.7,1.0,0.6566633541224042,0.5911777808237955,0.7183794805016791,0.7315982454937976,0.6744547152354191
EOS-2-18559,O=c1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)n[nH]1,VGVPRDVZVVIDQL-UHFFFAOYSA-N,2,1,0.611,84,360,463.86,3.351,5,0.411,0.7,1.0,0.6786375162771572,0.6051333013501473,0.7489719690219999,0.7628846549242684,0.6989068603933932
EOS-2-18560,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2F)cc1=O,TULWQLIBKMWXTE-UHFFFAOYSA-N,2,1,0.494,16,605,463.86,3.319,5,0.368,0.67,1.0,0.672426495785073,0.6100507161949147,0.7314097731478308,0.7316068124186142,0.6863734493866083
EOS-2-18561,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)ccc1=O,LCACKLPRGDRZDC-UHFFFAOYSA-N,2,1,0.617,59,294,463.86,3.319,5,0.394,0.73,1.0,0.7057775340963608,0.682252758549791,0.642716400520869,0.6556695908436707,0.6716040710026729
EOS-2-18562,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cccc(F)c1,PVNVDYFAHUDBND-UHFFFAOYSA-N,2,1,0.432,72,418,463.86,4.023,5,0.372,0.83,1.0,0.6566719210472209,0.6239634020971832,0.5555479405112741,0.5560876567747242,0.5980677301076006
EOS-2-18563,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cn2)ccc1=O,RLXRAWAESRPFTJ-UHFFFAOYSA-N,2,1,0.478,59,109,463.86,3.319,5,0.394,0.63,0.97,0.5965321088342129,0.6149338633404153,0.6188232472071825,0.6501353574121034,0.6201061441984785
EOS-2-18564,O=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cc2)n[nH]1,POPFFOIXVHMHBB-UHFFFAOYSA-N,2,1,0.588,91,803,463.86,3.351,5,0.411,0.59,1.0,0.8724641902542664,0.8113220478377082,0.6458004934548695,0.690502707148242,0.7550223596737715
EOS-2-18565,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cc1=O,GBWKPFMEERWDOL-UHFFFAOYSA-N,2,1,0.535,59,294,463.86,3.319,5,0.394,0.67,1.0,0.5206548557329861,0.41743197861695563,0.7156637653347955,0.7234768007675965,0.5943068501130835
EOS-2-18566,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)nc2)cn1,ONPMGDQXRVFMLP-UHFFFAOYSA-N,2,1,0.444,46,109,463.86,4.023,5,0.372,0.75,1.0,0.7512422040984168,0.6872729764923583,0.7183880474264958,0.6643564526077719,0.7053149201562606
EOS-2-18567,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)cc1=O,VFIPYKTUMUMCQW-UHFFFAOYSA-N,2,1,0.411,59,160,463.86,3.319,5,0.394,0.64,1.0,0.4351569460626414,0.38417517647865124,0.6951545473236926,0.7156209307107121,0.5575269001439244
EOS-2-18568,COc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cnn1,XWRSBVOZODSQTC-UHFFFAOYSA-N,2,1,0.484,34,659,463.86,4.023,5,0.372,0.72,1.0,0.8263827016654102,0.9050013707079707,0.6789030909464738,0.6443355493112193,0.7636556781577686
EOS-2-18569,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(F)c2)cc1=O,IWJJJTVSVRRRES-UHFFFAOYSA-N,2,1,0.472,16,605,463.86,3.319,5,0.394,0.7,1.0,0.5993249263244466,0.5958210540744294,0.7079449660749777,0.7234853676924131,0.6566440785415667
EOS-2-18570,COc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)c(Cl)c1,HCBVTQBTXRQRMP-UHFFFAOYSA-N,2,1,0.426,55,390,463.86,4.023,5,0.348,0.73,1.0,0.7241878555273799,0.837425467754095,0.7054519909533274,0.6556781577684874,0.7306858680008224
EOS-2-18571,COc1cc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1cnc(Cl)nc1,CSRXMDXLJMZRNV-UHFFFAOYSA-N,2,1,0.54,4,83,463.86,4.023,5,0.348,0.57,1.0,0.8156312110204921,0.8478771160304297,0.7627561510520183,0.6850027414159413,0.7778168048797204
EOS-2-18572,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cc2)nc1,QVHIIFXYYQQCDJ-UHFFFAOYSA-N,2,1,0.53,16,19,463.86,4.023,5,0.372,0.7,1.0,0.8950894386950861,0.8442618737577959,0.7183966143513124,0.65014392433692,0.7769729627852786
EOS-2-18573,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccc2F)nn1,CJZDGQWTLIQTQD-UHFFFAOYSA-N,2,1,0.5,20,279,463.864,3.156,5,0.374,0.61,1.0,0.854704955109314,0.9263501473511069,0.2568963744774176,0.3193749571653759,0.5893316085258036
EOS-2-18574,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2F)n1,BVQKLXDSAMNVDT-UHFFFAOYSA-N,2,1,0.479,20,279,463.864,3.156,5,0.374,0.69,1.0,0.9124888629977383,0.9092848331163046,0.29001610581865533,0.31643650195325884,0.6070565759714893
EOS-2-18575,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)c2)cn1,MKNLJFQDVJGSJA-UHFFFAOYSA-N,2,1,0.381,51,840,463.864,3.156,5,0.35,0.67,1.0,0.6417911726406689,0.6382787334658351,0.25690494140223424,0.27357617709546983,0.452637756151052
EOS-2-18576,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)cn2)n1,HFEJMIFAPRTSTH-UHFFFAOYSA-N,2,1,0.455,65,981,463.864,3.156,5,0.35,0.6,1.0,0.7886710986224384,0.8269052840792269,0.21409601809334522,0.24402885340278255,0.5184253135494482
EOS-2-18577,Cc1nc(=N)nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)[nH]1,WSYHAVVJUGVPJQ-UHFFFAOYSA-N,2,1,0.453,2,109,463.864,3.131,5,0.409,0.64,1.0,0.5337365499280379,0.5337365499280379,0.5555565074360908,0.5393907203070386,0.5406050818998013
EOS-2-18578,Cc1cc(F)nc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)n1,GNGDUMDASMTMFL-UHFFFAOYSA-N,2,1,0.456,20,279,463.864,3.156,5,0.35,0.57,1.0,0.7539836200397505,0.7299276951545474,0.21087485436227812,0.23827187992598178,0.4832645123706394
EOS-2-18579,Cc1cc(F)nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)n1,LBQFIQVRSUSGDS-UHFFFAOYSA-N,2,1,0.459,20,279,463.864,3.156,5,0.35,0.61,1.0,0.7598176958399013,0.8478856829552464,0.20727674593927764,0.2352306216160647,0.5125526865876225
EOS-2-18580,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2F)n1,IRFNRBFICLFHCD-UHFFFAOYSA-N,2,1,0.426,31,814,463.864,3.156,5,0.35,0.64,0.979,0.8312487149612775,0.7699695017476527,0.2282828455897471,0.2560396819957508,0.5213851860736071
EOS-2-18581,Fc1cnc(-c2cc(-c3nnc4cncc(OCCCc5ccc(Cl)nn5)n34)ccn2)nc1,XVHAHNDCHQEDCZ-UHFFFAOYSA-N,2,1,0.442,75,420,463.864,3.237,5,0.335,0.6,1.0,0.7886796655472551,0.7439431841546159,0.16091254883147146,0.23828044685079844,0.48295396134603524
EOS-2-18582,Cc1ncc(-c2cc(F)c(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cn2)cn1,SPFRSOSCMPYQEC-UHFFFAOYSA-N,2,1,0.494,65,434,463.864,3.156,5,0.35,0.6,1.0,0.8859056952916181,0.8408693715303954,0.3714275923514495,0.35441367966554727,0.6131540847097525
EOS-2-18583,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)ncn2)ccn1,YQKCWPCMCNAQJI-UHFFFAOYSA-N,2,1,0.379,31,194,463.864,3.156,5,0.374,0.53,0.983,0.6566804879720376,0.6005071619491468,0.3046398464807073,0.33211397436776097,0.4734853676924132
EOS-2-18584,FCc1ncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c(-c2ccncn2)n1,WYPSMLYVZKBFHH-UHFFFAOYSA-N,2,1,0.454,65,262,463.864,3.178,5,0.358,0.64,0.981,0.7830169282434377,0.6676204509629223,0.2072853128640943,0.2707319580563361,0.4821636625316976
EOS-2-18585,FCc1nc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(OCCc4ncccn4)n23)n1,OUFCHIAKMJKGOV-UHFFFAOYSA-N,2,1,0.374,18,795,463.864,3.178,5,0.335,0.61,1.0,0.5993334932492632,0.6286238091974505,0.1272616681516003,0.17515077787677336,0.3825924371187719
EOS-2-18586,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)n1,UGKBIQRZQIKOHE-UHFFFAOYSA-N,2,1,0.37,20,279,463.864,3.156,5,0.35,0.67,0.999,0.6662754437667056,0.6428534713179357,0.24617915153176614,0.28844835857720513,0.4609391062984031
EOS-2-18587,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)[nH]1,KOKVIQKQBHUZOY-UHFFFAOYSA-N,2,1,0.581,59,294,463.864,3.131,5,0.409,0.66,1.0,0.6933640600370091,0.6921818244123089,0.5249040504420533,0.4960335138098828,0.6016208621753135
EOS-2-18588,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)cc1F,XECUFYAXZIKKPO-UHFFFAOYSA-N,2,1,0.641,57,80,463.875,5.406,5,0.337,0.76,1.0,0.9927952162291823,0.9876036597902816,0.9582362415187444,0.9662548831471455,0.9762225001713384
EOS-2-18589,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cc1F,XYLIWBVELDCWSW-UHFFFAOYSA-N,2,1,0.654,57,80,463.875,5.406,5,0.315,0.76,1.0,0.9886573915427318,0.9897453909944486,0.9591871701733946,0.9637276403262285,0.9753293982592008
EOS-2-18590,Fc1cccc(CCOc2ccccc2-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1,PNEXXPFFDNIBNO-UHFFFAOYSA-N,2,1,0.4,57,480,463.875,5.406,5,0.315,0.8,1.0,0.7568792406277842,0.8509269412651634,0.9317130422863409,0.9381553697484751,0.869418648481941
EOS-2-18591,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)cc1,OLEFZZNSNSJSCU-UHFFFAOYSA-N,2,1,0.58,57,732,463.875,5.406,5,0.337,0.8,1.0,0.9572082105407443,0.9822750325543143,0.9483414433554931,0.9606863820163114,0.9621277671167158
EOS-2-18592,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)cc1F,ZCJBEECCVYRDKX-UHFFFAOYSA-N,2,1,0.628,57,560,463.875,5.406,5,0.337,0.83,1.0,0.9433811938866424,0.9245510931396066,0.9533787951476937,0.9642416558152286,0.9463881844972929
EOS-2-18593,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)ccn2)cc1,NMVFORLFTXYQBK-UHFFFAOYSA-N,2,1,0.612,88,732,463.875,5.406,5,0.337,0.77,1.0,0.9796878212596807,0.9787026249057639,0.9507744500034268,0.9637362072510451,0.9682252758549791
EOS-2-18594,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)cc1,SOZDXQRENLLBOB-UHFFFAOYSA-N,2,1,0.757,57,485,463.875,5.406,5,0.337,0.83,1.0,0.9842368583373312,0.9872781166472483,0.9548266054417106,0.962502570077445,0.9722110376259337
EOS-2-18595,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)cc1F,KFFABQITBHHYDB-UHFFFAOYSA-N,2,1,0.667,57,485,463.875,5.406,5,0.337,0.85,1.0,0.959975327256528,0.9497292851757932,0.9489753957919266,0.9612003975053115,0.9549701014323899
EOS-2-18596,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)c(F)c1F,PTAZFYXSROGXEO-UHFFFAOYSA-N,2,1,0.549,57,951,463.875,5.672,5,0.336,0.71,1.0,0.9814611746967309,0.9559231718182442,0.967942567336029,0.9637447741758618,0.9672679220067165
EOS-2-18597,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)cc1,STVMHAWQRZXSCA-UHFFFAOYSA-N,2,1,0.757,88,222,463.875,5.406,5,0.337,0.81,1.0,0.9671115756288123,0.9762953190322802,0.9637105064765952,0.9712322664656295,0.9695874169008294
EOS-2-18598,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5F)c4)n23)c1,VSKYWFKUFUAVJF-UHFFFAOYSA-N,2,1,0.634,88,732,463.875,5.406,5,0.337,0.76,1.0,0.9737081077376465,0.9613374683023782,0.9466451922417929,0.9601209649784114,0.9604529333150572
EOS-2-18599,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1F,UZPACNXPAWSBJP-UHFFFAOYSA-N,2,1,0.757,91,883,463.875,5.406,5,0.315,0.78,1.0,0.9923240353642656,0.990507847303132,0.9641474196422453,0.9662634500719621,0.9783106880954012
EOS-2-18600,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)cc1F,WYRULKRUGOSRET-UHFFFAOYSA-N,2,1,0.757,57,485,463.875,5.406,5,0.337,0.82,1.0,0.9852049208416147,0.9905164142279488,0.9548351723665273,0.9625111370022617,0.9732669111095881
EOS-2-18601,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cc1F,LQTNCKRXFMSLHN-UHFFFAOYSA-N,2,1,0.642,57,80,463.875,5.406,5,0.315,0.76,1.0,0.9468422315125763,0.9647128366801453,0.9560259749160441,0.9625197039270783,0.957525186758961
EOS-2-18602,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)cc1F,OEPAZFBUXWYFDU-UHFFFAOYSA-N,2,1,0.566,57,80,463.875,5.406,5,0.315,0.73,1.0,0.97521588650538,0.9825920087725311,0.9388664245082585,0.9505688438078267,0.9618107908984992
EOS-2-18603,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)nc1,NBJSQWRCHGUUAW-UHFFFAOYSA-N,2,1,0.757,57,485,463.875,5.406,5,0.337,0.77,1.0,0.9932406963196491,0.9887601946405319,0.954843739291344,0.9587759577821945,0.9739051470084299
EOS-2-18604,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)cc1F,NULNSDDXOBQQGM-UHFFFAOYSA-N,2,1,0.74,57,485,463.875,5.406,5,0.337,0.74,1.0,0.9828233157425811,0.967762661914879,0.9507830169282434,0.9570454389692276,0.9646036083887327
EOS-2-18605,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cc2)nc1,OILOZSZYDQENME-UHFFFAOYSA-N,2,1,0.649,57,660,463.875,5.406,5,0.337,0.76,1.0,0.9823435679528476,0.9841854567884313,0.9461054759783428,0.9543811253512439,0.9667539065177163
EOS-2-18606,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(F)cc5)c(F)cn4)n23)ccc1Cl,IQBUOUQUQGTGNO-UHFFFAOYSA-N,2,1,0.536,57,461,463.875,5.672,5,0.336,0.69,1.0,0.9451888150229594,0.9685251182235625,0.9650640805976287,0.9682167089301624,0.9617486806935782
EOS-2-18607,Fc1ccc(-c2cc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cn1,JRLFUNOKCBTJSZ-UHFFFAOYSA-N,2,1,0.743,57,222,463.875,5.406,5,0.315,0.77,1.0,0.9945428688917826,0.9975241587279831,0.9612774998286615,0.967300047974779,0.9801611438558016
EOS-2-18608,Cc1c(Cl)cccc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)nc1,BAYFLQUWIMSDLW-UHFFFAOYSA-N,2,1,0.573,59,13,463.875,5.672,5,0.336,0.83,0.998,0.9443406894661093,0.9131742169830718,0.966811733260229,0.9682252758549791,0.9481379788910973
EOS-2-18609,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4cccc(Cl)c4)nc3)n12,OXDCQZWFUIETPX-UHFFFAOYSA-N,2,1,0.59,57,732,463.875,5.406,5,0.337,0.79,1.0,0.9510571585223768,0.9773147830854636,0.9380954012747584,0.9537814406140772,0.955062195874169
EOS-2-18610,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)nc1F,VIFLTNVTZMIICV-UHFFFAOYSA-N,2,1,0.692,57,485,463.875,5.406,5,0.315,0.84,1.0,0.964849907477212,0.9747275717908299,0.9423959975327256,0.9485127818518264,0.9576215646631485
EOS-2-18611,Fc1ccc(-c2nc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cc1,AHUQOIADAFMRGH-UHFFFAOYSA-N,2,1,0.632,57,461,463.875,5.406,5,0.337,0.77,1.0,0.9863357549174149,0.9931121924473991,0.911854910561305,0.9390291960797752,0.9575830135014736
EOS-2-18612,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)nc1,CRCNBCFOXVSRBF-UHFFFAOYSA-N,2,1,0.757,57,485,463.875,5.406,5,0.337,0.76,1.0,0.993086491672949,0.9890514700842985,0.9548523062161607,0.9587845247070111,0.9739436981701048
EOS-2-18613,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccc5Cl)c4)n23)cc1,HVGUWEVGUWVJCI-UHFFFAOYSA-N,2,1,0.542,1,138,463.875,6.023,5,0.308,0.74,1.0,0.967120142553629,0.9442378863683092,0.9808529230347475,0.9809043245836474,0.9682788191350832
EOS-2-18614,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)c(F)c3)n12,WRBMVCPWFWSCJW-UHFFFAOYSA-N,2,1,0.61,88,222,463.875,5.406,5,0.337,0.76,1.0,0.9774775546569804,0.9819066547871976,0.9596754848879446,0.967788362689329,0.9717120142553629
EOS-2-18615,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)nc1,OQWIFBKMBAVTPF-UHFFFAOYSA-N,2,1,0.74,57,485,463.875,5.406,5,0.337,0.76,1.0,0.9828318826673977,0.965569529161812,0.9507915838530601,0.9570540058940443,0.9640617503940786
EOS-2-18616,Cc1ccc(F)cc1-c1ccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)nc1,FMILPKWFEGOYFR-UHFFFAOYSA-N,2,1,0.566,57,671,463.875,5.672,5,0.336,0.72,1.0,0.8184240285107258,0.9024998286615037,0.95017476526626,0.9557604002467275,0.9067147556713043
EOS-2-18617,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)cc1F,OTCMJSDVQCGYBE-UHFFFAOYSA-N,2,1,0.74,57,485,463.875,5.406,5,0.315,0.76,1.0,0.965492426838462,0.9631622232883285,0.9612860667534782,0.9647813720786786,0.9636805222397369
EOS-2-18618,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)c1F,IVEYNZAHJRLHBL-UHFFFAOYSA-N,2,1,0.535,57,560,463.875,5.406,5,0.337,0.84,1.0,0.9272068398327736,0.9310962236995408,0.9483500102803097,0.9612089644301282,0.9419655095606881
EOS-2-18619,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nc1F,AYWRSHILGSFKIW-UHFFFAOYSA-N,2,1,0.679,57,732,463.875,5.406,5,0.315,0.77,1.0,0.9618514837913782,0.9622369954081283,0.9381039681995751,0.947827427866493,0.9525049688163937
EOS-2-18620,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c1,ZGRJDBUFUGAONR-UHFFFAOYSA-N,2,1,0.563,57,732,463.875,5.406,5,0.337,0.75,1.0,0.9606092796929614,0.9606092796929614,0.9455057912411761,0.9557689671715441,0.9556233294496608
EOS-2-18621,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cc2)cn1,RVNMOCMUMQDPPF-UHFFFAOYSA-N,2,1,0.633,57,883,463.875,5.406,5,0.315,0.79,1.0,0.9848965115482147,0.9860530463984648,0.9602152011513947,0.9642502227400452,0.9738537454595299
EOS-2-18622,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c2)nc1F,KUVGYFCMYYAWQY-UHFFFAOYSA-N,2,1,0.651,57,732,463.875,5.406,5,0.315,0.81,1.0,0.9502947022136934,0.9664090877938455,0.9388749914330752,0.9471763415804263,0.9506887807552601
EOS-2-18623,Cc1nc(COc2ccc(F)cc2-c2cncc3nnc(-c4ccccc4Cl)n23)ccc1F,IXOBBWKDMUQZFO-UHFFFAOYSA-N,2,1,0.389,57,533,463.875,5.672,5,0.336,0.78,0.999,0.5937135905695292,0.6970392707833596,0.937410047289425,0.9415650058255088,0.7924319786169557
EOS-2-18624,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)ccn2)cc1F,LTYRBJNUVPOOSA-UHFFFAOYSA-N,2,1,0.535,59,13,463.875,5.672,5,0.336,0.77,1.0,0.9696730861489959,0.9328267425125077,0.9709666917963128,0.9703413062846961,0.9609519566856282
EOS-2-18625,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)cn1,UIIUCFHJZTTYPV-UHFFFAOYSA-N,2,1,0.757,91,883,463.875,5.406,5,0.315,0.78,1.0,0.9923326022890823,0.9897539579192653,0.9646700020560619,0.9662720169967788,0.978257144815297
EOS-2-18626,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)ccc5OC(F)F)n34)cc2)cn1,YARWXUCARCCGFY-UHFFFAOYSA-N,2,1,0.376,83,558,463.875,6.084,5,0.316,0.83,1.0,0.5362123912000548,0.7115944760468782,0.9756870673702968,0.9728085806318963,0.7990756288122816
EOS-2-18627,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)c1F,PWGAOPNPDZMJQD-UHFFFAOYSA-N,2,1,0.654,57,732,463.875,5.406,5,0.337,0.83,1.0,0.9540298814337606,0.9730227537523131,0.9472106092796929,0.9587930916318278,0.9582640840243987
EOS-2-18628,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cc1F,VOYRKPZILVLAOH-UHFFFAOYSA-N,2,1,0.63,88,560,463.875,5.406,5,0.337,0.81,1.0,0.889700842985402,0.9025083955863203,0.9496264820779933,0.9630936878897951,0.9262323521348776
EOS-2-18629,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)cc1,OKBHRSCJRNBYCN-UHFFFAOYSA-N,2,1,0.688,57,560,463.875,5.406,5,0.337,0.87,1.0,0.962553971626345,0.945377287368926,0.9527362757864437,0.9642587896648619,0.9562315811116442
EOS-2-18630,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)cc1,ZNXSMCATMQBJOH-UHFFFAOYSA-N,2,1,0.524,57,560,463.875,5.406,5,0.337,0.84,1.0,0.9220238503186896,0.9328353094373244,0.9466537591666095,0.9631022548146118,0.9411537934343088
EOS-2-18631,FC(F)COc1cncc2nnc(-c3ccc(-c4cc(-c5ccc(Cl)cc5)ccn4)cc3)n12,FRNBOMBMEGEHLY-UHFFFAOYSA-N,2,1,0.55,57,23,463.875,5.818,5,0.317,0.78,1.0,0.9732540607223631,0.9778030978000137,0.9679511342608458,0.9692875745322459,0.972073966828867
EOS-2-18632,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)cn1,QUOLRQJOAVKENR-UHFFFAOYSA-N,2,1,0.74,57,883,463.875,5.406,5,0.315,0.81,1.0,0.9971472140360497,0.9977554656980331,0.9612946336782948,0.9667688986361456,0.9807415530121307
EOS-2-18633,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)c1,VIIQQDIJELNBNT-UHFFFAOYSA-N,2,1,0.517,88,560,463.875,5.406,5,0.337,0.82,1.0,0.8859142622164348,0.902516962511137,0.9435953670070591,0.9612175313549448,0.923311030772394
EOS-2-18634,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cc1F,QQYUJUULBVNWTJ-UHFFFAOYSA-N,2,1,0.547,57,80,463.875,5.406,5,0.315,0.74,1.0,0.9031423480227537,0.9464824206702762,0.9347714344458913,0.9485213487766432,0.9332293879788911
EOS-2-18635,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cc1F,CXSVEXKPBPYNIP-UHFFFAOYSA-N,2,1,0.56,57,80,463.875,5.406,5,0.337,0.73,1.0,0.934343088205058,0.954997943938044,0.9424045644575423,0.9543896922760606,0.9465338222191761
EOS-2-18636,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)c1F,MBQIGOPJDXLRIF-UHFFFAOYSA-N,2,1,0.775,91,883,463.875,5.406,5,0.337,0.73,1.0,0.9863443218422315,0.9860616133232815,0.9628623809197451,0.9673086148995956,0.9756442327462135
EOS-2-18637,Fc1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1-c1ccccn1,AGWKPSCWUYRJDL-UHFFFAOYSA-N,2,1,0.59,88,732,463.875,5.406,5,0.337,0.74,1.0,0.9866013295867315,0.9826005756973477,0.9402371324789254,0.9537900075388939,0.9658072613254747
EOS-2-18638,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cc1F,QWFCCUVQOFQZLE-UHFFFAOYSA-N,2,1,0.547,57,80,463.875,5.406,5,0.337,0.75,1.0,0.92477383318484,0.9507744500034268,0.9436039339318758,0.9576965252552944,0.9442121855938592
EOS-2-18639,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)nc1,LIDTZWWXEAQQJD-UHFFFAOYSA-N,2,1,0.74,57,485,463.875,5.406,5,0.337,0.76,1.0,0.982617709546981,0.9655780960866287,0.9508001507778767,0.957062572818861,0.9640146323075868
EOS-2-18640,Cn1ccnc1-c1ncc(-c2cncc3nnc(-c4cc(C5CC5)c(Cl)cc4F)n23)cc1F,RMFCOWNJOCSALV-UHFFFAOYSA-N,2,1,0.281,50,575,463.879,5.063,6,0.372,0.66,0.761,0.30007367555342335,0.4127972722911384,0.7314183400726475,0.8355750119936948,0.569966074977726
EOS-2-18641,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nc(C)no1,FQKWSJITBRWHBG-UHFFFAOYSA-N,2,1,0.516,15,729,463.885,3.828,5,0.332,0.71,1.0,0.759826262764718,0.5811373449386609,0.3792491947090672,0.2944880405729559,0.5036752107463505
EOS-2-18642,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccoc5)n34)ncn2)cc1Cl,YGLMDRRVLFBNID-UHFFFAOYSA-N,2,1,0.396,18,194,463.885,3.658,5,0.34,0.58,0.998,0.43781269275580836,0.2968096771982729,0.3938043999725858,0.37067370296758273,0.37477511822356246
EOS-2-18643,N#Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ncc(F)s5)n34)c2)ccc1Cl,ZLKJPMXJPUMNAK-UHFFFAOYSA-N,2,1,0.451,46,160,463.885,4.553,5,0.376,0.54,1.0,0.5440168597080393,0.6286323761222672,0.7721883352751696,0.8089747104379412,0.6884530703858542
EOS-2-18644,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1nc(C)no1,PRLJNASLCSWMAZ-UHFFFAOYSA-N,2,1,0.527,15,771,463.885,3.828,5,0.355,0.71,1.0,0.7598348296895346,0.605141868274964,0.3118017956274416,0.24676170241929957,0.48088504900281
EOS-2-18645,COc1cc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)ccc1-c1nnc(C)o1,PVMNQVOTPSSTPH-UHFFFAOYSA-N,2,1,0.457,72,224,463.885,4.094,5,0.367,0.7,1.0,0.627527242820917,0.5383198547049551,0.4228291412514564,0.30712425467754095,0.4739501233637174
EOS-2-18646,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1nc(C)no1,YUPUWTXJBVONPY-UHFFFAOYSA-N,2,1,0.49,15,771,463.885,3.828,5,0.332,0.76,1.0,0.7241964224521965,0.6051504351997807,0.2829569597697211,0.22625248440819684,0.45963907545747373
EOS-2-18647,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1noc(C)n1,VLXIEGZFARFHSS-UHFFFAOYSA-N,2,1,0.538,15,771,463.885,3.828,5,0.355,0.69,1.0,0.7568878075526009,0.6822613254746076,0.29357137961757246,0.2410047289424988,0.4934313103968199
EOS-2-18648,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nnc(C)o1,QAXZLVVREGVYCE-UHFFFAOYSA-N,2,1,0.545,72,925,463.885,3.828,5,0.332,0.75,1.0,0.742238366116099,0.6286409430470838,0.37143615927626616,0.28551847028990474,0.5069584846823385
EOS-2-18649,COc1cc(-c2nnc3cncc(OC(C)(C)c4cccc(Cl)n4)n23)ccc1-c1nnco1,XXPPDEATFKVJNZ-UHFFFAOYSA-N,2,1,0.409,72,224,463.885,4.212,5,0.341,0.65,1.0,0.6507607429237201,0.5759115208004935,0.6158590912206154,0.39018915769995205,0.5581801281611952
EOS-2-18650,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nnc(C)o1,LZDNCKLXQFVNAQ-UHFFFAOYSA-N,2,1,0.531,15,925,463.885,3.828,5,0.355,0.75,1.0,0.714798505928312,0.5811459118634775,0.3675553423343157,0.3006904941402234,0.4910475635665822
EOS-2-18651,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nc(C)no1,VMNBZACSUCKATJ-UHFFFAOYSA-N,2,1,0.522,15,669,463.885,3.828,5,0.332,0.71,1.0,0.7116116098965115,0.5911863477486121,0.36756390925913235,0.28266568432595435,0.48825688780755255
EOS-2-18652,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1OC,PZIMCZRYUHCFJB-UHFFFAOYSA-N,2,1,0.44,36,224,463.889,3.101,5,0.358,0.65,1.0,0.39730827222260295,0.4355424576793914,0.16408231101363854,0.13903262284970186,0.2839914159413337
EOS-2-18653,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncnn1C,IGKOEUDSRVAXHT-UHFFFAOYSA-N,2,1,0.429,31,456,463.889,2.66,5,0.359,0.63,0.693,0.48058734836543077,0.39370159687478584,0.1078061818929477,0.10340278253718045,0.2713744774175862
EOS-2-18654,COCCn1cc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)cn1,TWZAQTKSMOELKV-UHFFFAOYSA-N,2,1,0.363,92,468,463.889,2.719,5,0.32,0.68,1.0,0.3331163045713111,0.3264255362894935,0.13627407305873485,0.13243609074086765,0.23206300116510176
EOS-2-18655,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1ncnn1C,QECGKMWOWASBHV-UHFFFAOYSA-N,2,1,0.455,20,279,463.889,2.66,5,0.359,0.63,1.0,0.49301795627441575,0.4572339113151943,0.14834487012541978,0.12594236172983345,0.3061347748612158
EOS-2-18656,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cnn(C)c(=O)c1,WLYYAHDERXPVAG-UHFFFAOYSA-N,2,1,0.434,95,235,463.889,1.955,5,0.375,0.64,0.992,0.23261770954698102,0.142510794325269,0.1104190939620314,0.13008875334110068,0.15390908779384554
EOS-2-18657,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nnnn1C,ZGMPERLNWGOKIQ-UHFFFAOYSA-N,2,1,0.549,15,447,463.889,2.66,5,0.335,0.76,1.0,0.5288534027825372,0.5477691727777397,0.20729387978891098,0.19182201357000891,0.3689346172297992
EOS-2-18658,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncnn1C,MJGJYODZRUPOFG-UHFFFAOYSA-N,2,1,0.454,31,456,463.889,2.66,5,0.359,0.61,0.302,0.49048214652868205,0.41280583921595504,0.08575491741484477,0.07880714138852718,0.26696251113700226
EOS-2-18659,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nc(C)nn1C,PMSRISFUMWHEFY-UHFFFAOYSA-N,2,1,0.442,92,248,463.889,2.926,5,0.374,0.65,1.0,0.412420327599205,0.4128144061407717,0.12727023507641697,0.09503289699129601,0.2618844664519224
EOS-2-18660,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1OC,IQIKFHLTCODPAO-UHFFFAOYSA-N,2,1,0.43,51,375,463.889,3.101,5,0.358,0.68,1.0,0.44950654513055993,0.41282297306558835,0.1362826399835515,0.11467685559591528,0.27832225344390377
EOS-2-18661,COCCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cn1,PPDKMXBZQHARFX-UHFFFAOYSA-N,2,1,0.347,51,711,463.889,2.719,5,0.342,0.65,1.0,0.27813378109793707,0.1461089027482695,0.13946953601535192,0.1344750188472346,0.17454680967719827
EOS-2-18662,COc1nc(-c2nnc3cncc(OCCc4nnnn4C)n23)ccc1-c1cccc(Cl)c1,DWXHQTPBFLRLMM-UHFFFAOYSA-N,2,1,0.443,49,501,463.889,2.66,5,0.359,0.72,0.971,0.3993986018778699,0.3891525597971352,0.05041635254609005,0.09122061544787884,0.2325470324172435
EOS-2-18663,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)c2)nc1CO,LEQWRFNLMLDCEG-UHFFFAOYSA-N,2,1,0.462,65,349,463.889,2.144,5,0.361,0.65,1.0,0.3930162428894524,0.41283153999040506,0.08576348433966144,0.11468542252073195,0.2515741724350627
EOS-2-18664,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1nncn1C,HCMYAYDORBDYCA-UHFFFAOYSA-N,2,1,0.474,36,482,463.889,2.66,5,0.359,0.7,1.0,0.5735213487766432,0.5020560619560003,0.15154890000685353,0.13448358577205127,0.34040247412788704
EOS-2-18665,COc1ncncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)nn1C,BCPQCAZZQBGBRB-UHFFFAOYSA-N,2,1,0.426,31,235,463.889,2.66,5,0.359,0.57,0.975,0.3517579329723802,0.2809780001370708,0.13027722568706737,0.1170156260708656,0.220007196216846
EOS-2-18666,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)c(C)n4)n23)ccc1-c1cnnn1C,QZALURMAHVSSBE-UHFFFAOYSA-N,2,1,0.426,36,638,463.889,2.926,5,0.374,0.62,1.0,0.41938523747515594,0.41744054554177235,0.18986018778699199,0.13904118977451854,0.29143179014460974
EOS-2-18667,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4C)n23)ccc1-c1nnnn1C,OKTRJTYXQJOROW-UHFFFAOYSA-N,2,1,0.489,36,728,463.889,2.926,5,0.35,0.74,1.0,0.4979182372695497,0.4833887327804811,0.21088342128709478,0.1698135837159893,0.3405009937632787
EOS-2-18668,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)n1C,XNZNIRMFQIIDEE-UHFFFAOYSA-N,2,1,0.505,87,779,463.889,2.66,5,0.359,0.62,1.0,0.4904907134534987,0.4880320060311151,0.05978000137070797,0.06573401411829209,0.27600918374340344
EOS-2-18669,COc1ncncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nn1C,LGPDDEILLZNXTI-UHFFFAOYSA-N,2,1,0.423,31,569,463.889,2.66,5,0.335,0.61,1.0,0.347328832842163,0.25023130697005,0.1671749708724556,0.1390497566993352,0.22594621684600094
EOS-2-18670,OCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cn1,VUGPCZOAKRWOKT-UHFFFAOYSA-N,2,1,0.446,20,279,463.889,2.107,5,0.367,0.63,1.0,0.36792372010143237,0.4033479542183538,0.13028579261188403,0.14863614556918647,0.26254840312521416
EOS-2-18671,COc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2C)n1,SKQGRWVPHIDVEG-UHFFFAOYSA-N,2,1,0.396,31,477,463.889,2.66,5,0.335,0.65,1.0,0.34965046946747996,0.2502398738948667,0.10247755465698033,0.09504146391611268,0.19935234048385989
EOS-2-18672,COc1ncncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)nn1C,HMVLVYDAKAFKCZ-UHFFFAOYSA-N,2,1,0.41,31,569,463.889,2.66,5,0.359,0.6,0.963,0.3773130697005003,0.2655489685422521,0.1640908779384552,0.14864471249400316,0.23889940716880267
EOS-2-18673,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cnn(C)c1,FYHXNWLAWHSGLE-UHFFFAOYSA-N,2,1,0.386,31,602,463.889,2.66,5,0.359,0.58,0.999,0.4193938043999726,0.35569871838804745,0.1394781029401686,0.10982797614968132,0.2560996504694675
EOS-2-18674,OCCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n1,IRNFTYGHAVDBKA-UHFFFAOYSA-N,2,1,0.464,65,981,463.889,2.107,5,0.344,0.7,1.0,0.3842008772531012,0.49258961003358237,0.10781474881776437,0.1366595846754849,0.28031620519498324
EOS-2-18675,Clc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cn1,RTCPYPSEACHBIQ-UHFFFAOYSA-N,2,1,0.333,42,983,463.892,4.421,6,0.353,0.69,1.0,0.24107326434103216,0.3841837434034679,0.5942104722088959,0.6414484956480022,0.46522899390034955
EOS-2-18676,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cn1,RWRKQOGDNCVBSM-UHFFFAOYSA-N,2,1,0.342,42,171,463.892,4.421,6,0.378,0.73,0.999,0.22153210883421287,0.38419231032828455,0.6332071139743678,0.6643650195325885,0.47582413816736346
EOS-2-18677,Clc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)n1,CWFDTXODJDPUHD-UHFFFAOYSA-N,2,1,0.312,38,608,463.892,4.421,6,0.353,0.72,1.0,0.21086628743746144,0.3507127681447468,0.5040007538893838,0.5162685902268521,0.395462099924611
EOS-2-18678,Clc1nccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)nc2)n1,BNGVJQNCJWRHGV-UHFFFAOYSA-N,2,1,0.291,64,365,463.892,4.421,6,0.353,0.67,0.982,0.205152148584744,0.2602803097800014,0.344878692344596,0.44013432938112534,0.3126113700226167
EOS-2-18679,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cn1,YGXPSMNGPXVWPB-UHFFFAOYSA-N,2,1,0.313,94,170,463.892,4.421,6,0.353,0.71,0.999,0.2244020286477966,0.3604276608868481,0.6458090603796861,0.6760160372832568,0.4766636967993969
EOS-2-18680,Clc1ncc(-c2cncc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)c2)nn1,DDNIWCMRGICWSG-UHFFFAOYSA-N,2,1,0.312,30,371,463.892,4.421,6,0.378,0.6,0.999,0.22728051538619698,0.27085189500376944,0.44829860873140975,0.5393992872318553,0.37145757658830786
EOS-2-18681,Clc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cn1,OPUHGRNVCOQKEF-UHFFFAOYSA-N,2,1,0.329,38,186,463.892,4.421,6,0.353,0.75,1.0,0.2596891919676513,0.3749400315262833,0.4935148379137825,0.5908522376807621,0.42974907477211977
EOS-2-18682,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccncn5)n4)n23)cc1,LPBMOPKQEHINIF-UHFFFAOYSA-N,2,1,0.35,3,186,463.892,4.421,6,0.378,0.71,1.0,0.28098656706188746,0.417449112466589,0.5350644232746213,0.6643735864574053,0.47446842231512576
EOS-2-18683,Clc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nn1,VTGSPTVEAMZLNO-UHFFFAOYSA-N,2,1,0.384,93,774,463.892,4.421,6,0.378,0.77,0.343,0.31564834487012544,0.41745767939140566,0.41140943047083817,0.5721335069563429,0.42916224042217804
EOS-2-18684,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cn1,RHOAPZDZRUDDMQ-UHFFFAOYSA-N,2,1,0.338,42,392,463.892,4.421,6,0.378,0.74,1.0,0.21897916523884586,0.3749485984511,0.5452504968816394,0.584769721060928,0.4309869954081283
EOS-2-18685,Clc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cn1,GIXKLBYFXLQVBG-UHFFFAOYSA-N,2,1,0.321,42,171,463.892,4.421,6,0.353,0.69,0.991,0.22728908231101363,0.37495716537591667,0.6485504763210198,0.6962254129257761,0.4867555342334316
EOS-2-18686,Clc1cnc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nc1,PWWGMTDKNOFDGR-UHFFFAOYSA-N,2,1,0.305,42,171,463.892,4.421,6,0.378,0.69,1.0,0.30008224247824,0.3795576040024673,0.4969758755397163,0.5721420738811597,0.4371894489753958
EOS-2-18687,Clc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cn1,AUODDLMDSMDHET-UHFFFAOYSA-N,2,1,0.347,30,945,463.892,4.421,6,0.353,0.74,0.986,0.23262627647179768,0.34605236104447945,0.4556575971489274,0.5752690014392434,0.402401309026112
EOS-2-18688,Clc1ccc(-c2cccnc2)cc1-c1nnc2cncc(-c3cnc(-c4cncnc4)cn3)n12,WVFFLFJTYXLQHO-UHFFFAOYSA-N,2,1,0.321,94,72,463.892,4.421,6,0.378,0.67,1.0,0.21087485436227812,0.36043622781166473,0.6427249674456857,0.7073024467137277,0.48033462408333905
EOS-2-18689,Clc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3cccnc3-c3ccccn3)n12,IHUZNTUGVJBMAT-UHFFFAOYSA-N,2,1,0.318,32,935,463.892,4.421,6,0.378,0.59,1.0,0.22729764923583032,0.2917466246316222,0.5315948187238709,0.6237834966760332,0.41860564731683914
EOS-2-18690,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)cn1,RXTHWLJEXSZYIO-UHFFFAOYSA-N,2,1,0.361,9,98,463.892,4.421,6,0.378,0.74,1.0,0.2410818312658488,0.3264341032143102,0.6541104105270372,0.6905112740730588,0.47803440477006376
EOS-2-18691,Clc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)n1,MKBOELNZBUVHLY-UHFFFAOYSA-N,2,1,0.36,42,106,463.892,4.421,6,0.378,0.78,1.0,0.2080306353231444,0.2968182441230896,0.4189397573846892,0.5162771571516689,0.360016448495648
EOS-2-18692,Clc1cncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)c1,KTCRFROKSCUUFU-UHFFFAOYSA-N,2,1,0.338,42,186,463.892,4.421,6,0.378,0.69,1.0,0.2729422246590364,0.3842008772531012,0.5584349941744912,0.6614351312452882,0.4692533068329792
EOS-2-18693,Clc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)cn1,VGEYOFXUKXDMIE-UHFFFAOYSA-N,2,1,0.34,32,392,463.892,4.421,6,0.353,0.7,0.994,0.23263484339661436,0.3557072853128641,0.514803646083202,0.5494054554177232,0.4131378075526009
EOS-2-18694,Clc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cn1,PABHAUHAQFMFRU-UHFFFAOYSA-N,2,1,0.329,42,171,463.892,4.421,6,0.353,0.75,1.0,0.2703892810636694,0.3985847440202865,0.6396922760605853,0.6729319443492564,0.4953995613734494
EOS-2-18695,Clc1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc(-c2cccnc2)n1,IBIHFLAOBJPKJB-UHFFFAOYSA-N,2,1,0.293,94,170,463.892,4.421,6,0.353,0.7,1.0,0.1661726406689055,0.2917551915564389,0.6188318141319992,0.6584281406346378,0.4337969467479954
EOS-2-18696,Clc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)cn1,VZHJXLGPSIJGBJ-UHFFFAOYSA-N,2,1,0.351,30,945,463.892,4.421,6,0.353,0.74,0.999,0.22730621616064697,0.3408351038311288,0.444837571105476,0.562512850387225,0.39387293537111917
EOS-2-18697,Clc1cncc(-c2cnncc2-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c1,MNRQULGRZJQTDU-UHFFFAOYSA-N,2,1,0.33,42,106,463.892,4.421,6,0.378,0.64,1.0,0.2920550339250223,0.35072133506956343,0.6572287711603043,0.7183023781783291,0.5045768795833048
EOS-2-18698,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)nn1,NOKNUUXHCFPMPE-UHFFFAOYSA-N,2,1,0.342,9,894,463.892,4.421,6,0.378,0.77,1.0,0.27039784798848604,0.3219279007607429,0.6427335343705024,0.6905198409978754,0.4813947810294017
EOS-2-18699,Clc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c2)nn1,IUFYIOVLDZXYEX-UHFFFAOYSA-N,2,1,0.321,42,171,463.892,4.421,6,0.378,0.7,1.0,0.23829758070043178,0.31699335206634227,0.6734373929134397,0.7101980673017614,0.4847315982454938
EOS-2-18700,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nn2C)ccc1Cl,JHYWGPKUWUFWIK-UHFFFAOYSA-N,2,1,0.414,95,266,463.904,4.309,5,0.349,0.72,1.0,0.42640154890000687,0.4661263792748955,0.5813086834349942,0.6090312521417311,0.520716965937907
EOS-2-18701,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)c1,RVPRXTGHFJPCQG-UHFFFAOYSA-N,2,1,0.505,26,438,463.904,4.484,5,0.331,0.64,1.0,0.7087416900829279,0.6196199712151326,0.6514032622849701,0.6472397368240697,0.656751165101775
EOS-2-18702,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)c1,VIMXTKXXVICDGP-UHFFFAOYSA-N,2,1,0.51,84,672,463.904,4.484,5,0.354,0.72,1.0,0.7087502570077445,0.7741672949078199,0.6763501473511069,0.6671749708724556,0.7066106675347816
EOS-2-18703,FCCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,NJIDVLUREBEWPX-UHFFFAOYSA-N,2,1,0.505,26,669,463.904,4.294,5,0.319,0.67,1.0,0.6022976492358303,0.5662308957576588,0.5813172503598109,0.5939705983140292,0.5859540984168323
EOS-2-18704,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccn1,AQQMQRDGIFNVSE-UHFFFAOYSA-N,2,1,0.568,26,864,463.904,4.484,5,0.354,0.68,1.0,0.5848810910835447,0.5617332602289082,0.6514118292097869,0.6614436981701048,0.6148674696730863
EOS-2-18705,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1F,AVLBBHYDXLKQSV-UHFFFAOYSA-N,2,1,0.576,37,545,463.904,4.309,5,0.349,0.69,1.0,0.6964138852717429,0.7610941676375849,0.7131022548146118,0.685011308340758,0.7139054040161744
EOS-2-18706,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)c4)n23)c(Cl)n1,RDFQHGZXURGRBJ-UHFFFAOYSA-N,2,1,0.551,26,563,463.904,4.309,5,0.349,0.64,1.0,0.847868549105613,0.8113306147625249,0.7079535329997944,0.6790230278939072,0.7615439311904598
EOS-2-18707,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c(F)c1,WTQAAHIYJJEWES-UHFFFAOYSA-N,2,1,0.538,26,669,463.904,4.484,5,0.331,0.65,1.0,0.7539921869645672,0.7439517510794326,0.7004746076348434,0.6821156877527242,0.7201335583578917
EOS-2-18708,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cn2)c1,JGVMRBZOGFIYAD-UHFFFAOYSA-N,2,1,0.543,84,524,463.904,4.484,5,0.354,0.7,1.0,0.6447210609279693,0.7162034815982455,0.6651960112398053,0.652825371804537,0.6697364813926393
EOS-2-18709,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)ccn1,ONFBPQKMQSOZSV-UHFFFAOYSA-N,2,1,0.557,26,864,463.904,4.484,5,0.354,0.65,1.0,0.5708998697827428,0.5383284216297718,0.6706360084983894,0.6700877253101227,0.6124880063052567
EOS-2-18710,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1F,QSSRQIAZGKOJAA-UHFFFAOYSA-N,2,1,0.479,26,639,463.904,4.484,5,0.331,0.69,1.0,0.777362757864437,0.7162120485230622,0.627347337399767,0.6266448495648003,0.6868917483380166
EOS-2-18711,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(F)c1,KDPZYESZLWXMIR-UHFFFAOYSA-N,2,1,0.469,26,639,463.904,4.484,5,0.331,0.65,1.0,0.7360701802480981,0.7070197381947776,0.6158676581454321,0.6211020492084162,0.6700149064491809
EOS-2-18712,CCn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)n1,IAXQHBUYAVLBCB-UHFFFAOYSA-N,2,1,0.722,91,781,463.904,4.484,5,0.354,0.76,1.0,0.5790984168322939,0.6051590021245974,0.5942190391337125,0.6152851072578988,0.5984403913371257
EOS-2-18713,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)nn1C,YKASBVPVLPHMHH-UHFFFAOYSA-N,2,1,0.521,84,672,463.904,4.309,5,0.373,0.69,1.0,0.5337451168528545,0.6100592831197313,0.6896974162154753,0.6760246042080734,0.6273816050990336
EOS-2-18714,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)nn1C,ZMGGKLIFTQDPLV-UHFFFAOYSA-N,2,1,0.553,84,752,463.904,4.309,5,0.373,0.57,1.0,0.4904992803783154,0.5522668083064903,0.6789116578712905,0.6584367075594545,0.5950286135288877
EOS-2-18715,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ccn2)cn1,KSGBHKMAXHUSRX-UHFFFAOYSA-N,2,1,0.671,84,360,463.904,4.484,5,0.354,0.7,1.0,0.5567387430607909,0.5106829552463847,0.7054605578781441,0.6905284079226921,0.615852666027003
EOS-2-18716,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)c1,UVGWSBKRHLHVAM-UHFFFAOYSA-N,2,1,0.595,91,752,463.904,4.484,5,0.354,0.68,1.0,0.5288619697073539,0.5477777397025564,0.5385511616750052,0.5997704064149133,0.5537403193749572
EOS-2-18717,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)nn1C,UPCUSPZQCINPGU-UHFFFAOYSA-N,2,1,0.784,91,781,463.904,4.309,5,0.373,0.74,1.0,0.6662840106915222,0.6382873003906517,0.5486686998834899,0.5592145843328079,0.6031136488246179
EOS-2-18718,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)nn1C,XMPJQGRZKYWMGV-UHFFFAOYSA-N,2,1,0.667,84,360,463.904,4.309,5,0.373,0.69,1.0,0.6106846686313481,0.605167569049414,0.7104465081214447,0.6790315948187239,0.6513325851552326
EOS-2-18719,Cc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4cnc(C)n4C)c(F)c3)n12,LLGARPJOOUJFDT-UHFFFAOYSA-N,2,1,0.489,16,772,463.904,4.575,5,0.379,0.59,1.0,0.7598433966143513,0.667629017887739,0.7288910972517305,0.6729405112740731,0.7073260057569735
EOS-2-18720,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1F,RLMLUMAUHIAQMY-UHFFFAOYSA-N,2,1,0.544,26,125,463.904,4.484,5,0.331,0.7,1.0,0.8263912685902268,0.7527842505654171,0.7131108217394284,0.6962339798505929,0.7471300801864164
EOS-2-18721,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)nn1C,PYNQNBRKZDFYMI-UHFFFAOYSA-N,2,1,0.523,84,749,463.904,4.309,5,0.373,0.66,1.0,0.5543400041121239,0.5759200877253101,0.6598673840038379,0.6501524912617367,0.6100699917757522
EOS-2-18722,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2C)ccc1F,FHDUEHSJEMTKAA-UHFFFAOYSA-N,2,1,0.414,95,266,463.904,4.309,5,0.349,0.74,1.0,0.41940237132478925,0.42626447810294016,0.5813258172846275,0.6026317593036804,0.5074061065040093
EOS-2-18723,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cn1,BTQUTZPTKJCKAJ-UHFFFAOYSA-N,2,1,0.522,84,672,463.904,4.484,5,0.354,0.73,1.0,0.6786460832019738,0.7162206154478789,0.5877424439723117,0.6058957576588307,0.6471262250702488
EOS-2-18724,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccn1,IBBXFDFFLVKAQX-UHFFFAOYSA-N,2,1,0.647,26,864,463.904,4.484,5,0.354,0.67,1.0,0.6933726269618258,0.5707627989856761,0.7054691248029608,0.6905369748475088,0.6650353813994928
EOS-2-18725,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)ccc1F,LTKJSLWHYDBUEF-UHFFFAOYSA-N,2,1,0.522,26,125,463.904,4.484,5,0.331,0.66,1.0,0.8454355424576794,0.7527928174902337,0.6816530738126242,0.6850198752655746,0.741225327256528
EOS-2-18726,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1F,MNOOBGCKAJCNMT-UHFFFAOYSA-N,2,1,0.516,26,125,463.904,4.484,5,0.354,0.68,1.0,0.8386933726269619,0.7393855801521486,0.7104550750462614,0.710206634226578,0.7496851655129875
EOS-2-18727,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccn1,HEUCXCXNBKNNAR-UHFFFAOYSA-N,2,1,0.549,26,864,463.904,4.484,5,0.354,0.66,1.0,0.5993420601740799,0.6051761359742307,0.6816616407374408,0.6821242546775409,0.6420760228908231
EOS-2-18728,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1F,RHJCOOOUSHDXGU-UHFFFAOYSA-N,2,1,0.553,37,545,463.904,4.309,5,0.373,0.66,1.0,0.6566890548968543,0.7439603180042492,0.70048317455966,0.6850284421903914,0.6965402474127887
EOS-2-18729,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)c1,TZQGCZKIQYJMAX-UHFFFAOYSA-N,2,1,0.51,84,672,463.904,4.484,5,0.354,0.7,1.0,0.7087588239325612,0.7741758618326365,0.6763587142759235,0.664382153382222,0.7059188883558357
EOS-2-18730,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccc2F)cn1C,XHKOZJTULOBEHH-UHFFFAOYSA-N,2,1,0.489,37,639,463.904,4.309,5,0.349,0.64,1.0,0.8897094099102186,0.8442704406826126,0.5720992392570763,0.5625214173120416,0.7171501267904873
EOS-2-18731,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)c1,QSVVONXUFCWTPB-UHFFFAOYSA-N,2,1,0.533,26,626,463.904,4.484,5,0.331,0.65,1.0,0.7914125145637722,0.7483894181344665,0.710463641971078,0.6935782331574258,0.7359609519566856
EOS-2-18732,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1F,JTCQPYAEFRSJLH-UHFFFAOYSA-N,2,1,0.469,26,639,463.904,4.484,5,0.331,0.72,1.0,0.7452624905763827,0.7162291823726955,0.6302943595367007,0.6357857583441848,0.6818929477074909
EOS-2-18733,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1,KLSJPMZNVLTECT-UHFFFAOYSA-N,2,1,0.5,84,749,463.904,4.309,5,0.373,0.69,0.999,0.45862175313549447,0.4218953464464396,0.6485590432458365,0.6414570625728189,0.5426333013501473
EOS-2-18734,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)c1,PXZYLJMPDJLPIF-UHFFFAOYSA-N,2,1,0.46,26,448,463.904,4.484,5,0.331,0.66,0.999,0.6600130217257213,0.614942430265232,0.6158762250702488,0.6059043245836474,0.6241840004112124
EOS-2-18735,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)c1,KRBPLWSXLWLHSO-UHFFFAOYSA-N,2,1,0.465,26,448,463.904,4.484,5,0.354,0.67,1.0,0.6218216708930162,0.5617418271537249,0.6598759509286547,0.6472483037488863,0.6226719381810706
EOS-2-18736,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)c1,KHGWQQQMAIBBQC-UHFFFAOYSA-N,2,1,0.484,84,672,463.904,4.309,5,0.373,0.68,1.0,0.4445462956617093,0.45724247824001096,0.6763672812007402,0.6643907203070386,0.5606366938523748
EOS-2-18737,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1F,FDHPUNQIRXRPKS-UHFFFAOYSA-N,2,1,0.495,26,125,463.904,4.484,5,0.354,0.65,0.999,0.7211465972174628,0.7162377492975122,0.665204578164622,0.6729490781988897,0.6938845007196216
EOS-2-18738,Cc1nc(C)c(-c2cncc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)[nH]1,DVIWOKCAUZQVSH-UHFFFAOYSA-N,2,1,0.534,84,749,463.904,4.607,5,0.395,0.64,1.0,0.6245802206839832,0.5958296209992461,0.6763758481255568,0.6643992872318553,0.6402962442601604
EOS-2-18739,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1cnn(C)c1,SBJXZPARHKVSFI-UHFFFAOYSA-N,2,1,0.588,84,308,463.904,4.309,5,0.373,0.69,1.0,0.6566976218216709,0.5911949146734288,0.7212408333904462,0.685037009115208,0.6635425947501885
EOS-2-18740,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5nc(Cl)ccc5F)n34)c2)cn1,ZHQGEWXAYOTIJV-UHFFFAOYSA-N,2,1,0.474,15,545,463.904,4.484,5,0.331,0.68,1.0,0.5080443424028511,0.5617503940785415,0.5618360633267082,0.5784216297717771,0.5525131073949695
EOS-2-18741,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccc2F)cn1,JOIDNDYTOQOWBY-UHFFFAOYSA-N,2,1,0.484,37,639,463.904,4.484,5,0.331,0.61,1.0,0.6164159413336988,0.677378178329107,0.6217617024192996,0.632556027688301,0.6370279624426016
EOS-2-18742,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,CJUXAYGZRRIBJM-UHFFFAOYSA-N,2,1,0.611,84,328,463.904,4.484,5,0.354,0.71,1.0,0.6191316565005826,0.5912034815982455,0.7558597765746008,0.734348228359948,0.6751357857583442
EOS-2-18743,CCn1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccc(F)nc1,OIELJLBFKNFWEU-UHFFFAOYSA-N,2,1,0.48,35,76,463.904,4.484,5,0.331,0.66,1.0,0.5937221574943459,0.6196285381399493,0.7004917414844767,0.6935868000822425,0.6518573093002535
EOS-2-18744,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)cn1,ILLUIMLZRGGTSH-UHFFFAOYSA-N,2,1,0.64,84,884,463.904,4.484,5,0.354,0.77,1.0,0.5206634226578027,0.5020646288808169,0.7489805359468166,0.7316153793434309,0.6258309917072168
EOS-2-18745,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1,LBLFBJMLDMYHCR-UHFFFAOYSA-N,2,1,0.535,84,749,463.904,4.309,5,0.373,0.7,1.0,0.4856161332328148,0.5247070111712699,0.6978102940168597,0.6850455760400247,0.5982947536152423
EOS-2-18746,FCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)cn1,DFFYNVNNOFNBRT-UHFFFAOYSA-N,2,1,0.523,35,519,463.904,4.294,5,0.341,0.76,1.0,0.6106932355561647,0.6773867452539236,0.5781988897265438,0.6026403262284971,0.6172297991912823
EOS-2-18747,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)c1,RQIWEEWRWIJBHB-UHFFFAOYSA-N,2,1,0.663,84,360,463.904,4.484,5,0.354,0.74,1.0,0.8288671098622439,0.7828455897471044,0.6978188609416763,0.6729576451237064,0.7456223014186827
EOS-2-18748,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)c(C)n1,HAGKIMGYNNFQPM-UHFFFAOYSA-N,2,1,0.489,16,577,463.904,4.75,5,0.361,0.71,1.0,0.440065793982592,0.48339729970529777,0.639700842985402,0.6295490370776506,0.5481782434377356
EOS-2-18749,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1,QDMHTQLDVBZJOQ-UHFFFAOYSA-N,2,1,0.578,91,520,463.904,4.484,5,0.354,0.71,1.0,0.8590141182920978,0.8852546090055514,0.6332156808991845,0.6700962922349394,0.7618951751079432
EOS-2-18750,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cc1,YRKPOEHSHWLCEH-UHFFFAOYSA-N,2,1,0.617,91,520,463.904,4.484,5,0.354,0.71,1.0,0.8432595435542458,0.8658505242957988,0.6332242478240011,0.670104859159756,0.7531097937084504
EOS-2-18751,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)c1,XGGZTRQWRJRBDX-UHFFFAOYSA-N,2,1,0.484,26,1,463.904,4.484,5,0.354,0.67,1.0,0.47059831402919605,0.44414365019532587,0.6870331025974916,0.6877098896580084,0.5723712391200055
EOS-2-18752,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,UIRPWTILPUDTBX-UHFFFAOYSA-N,2,1,0.75,91,520,463.904,4.484,5,0.354,0.73,1.0,0.8859228291412514,0.8745202522102666,0.657237338085121,0.6760331711328902,0.7734283976423824
EOS-2-18753,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,ITBRQRHJHYSENY-UHFFFAOYSA-N,2,1,0.583,84,308,463.904,4.309,5,0.373,0.71,1.0,0.5235933109451032,0.4355510246042081,0.7005003084092934,0.6701134260845727,0.5824395175107944
EOS-2-18754,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1,VPGJQEVXKSXABP-UHFFFAOYSA-N,2,1,0.5,26,328,463.904,4.484,5,0.354,0.71,0.999,0.5906980330340621,0.552275375231307,0.7054776917277774,0.7102152011513947,0.6396665752861352
EOS-2-18755,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ccn(C)n1,NVVZMQHUBRIMBH-UHFFFAOYSA-N,2,1,0.56,44,294,463.904,4.521,5,0.368,0.71,0.996,0.5465869371530395,0.5912120485230622,0.6158847919950654,0.6059128915084642,0.5898991672949079
EOS-2-18756,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)n1,YWTHGGXJAYWRIB-UHFFFAOYSA-N,2,1,0.75,91,781,463.904,4.484,5,0.354,0.77,1.0,0.7179082996367624,0.7528013844150504,0.6158933589198822,0.6266534164896169,0.678314114865328
EOS-2-18757,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1,HVXHUQVMNVCDTG-UHFFFAOYSA-N,2,1,0.578,91,520,463.904,4.484,5,0.354,0.72,1.0,0.8567010485915976,0.882478925364951,0.6332328147488178,0.672966212048523,0.7613447501884724
EOS-2-18758,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1,NGKRVZQXGFZAGE-UHFFFAOYSA-N,2,1,0.595,91,520,463.904,4.484,5,0.354,0.64,1.0,0.8524518538825303,0.8658590912206154,0.6038139949283805,0.647256870673703,0.7423454526763072
EOS-2-18759,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,OGKFEOCAZSEIGO-UHFFFAOYSA-N,2,1,0.75,91,520,463.904,4.484,5,0.354,0.68,1.0,0.8859313960660681,0.8745288191350833,0.6572459050099376,0.6760417380577068,0.773436964567199
EOS-2-18760,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,XSQJOAQYDYJDIO-UHFFFAOYSA-N,2,1,0.556,26,1,463.904,4.484,5,0.354,0.67,1.0,0.5288705366321705,0.4174662463162223,0.707962099924611,0.6935953670070591,0.5869735624700158
EOS-2-18761,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)c1,TYKNZSNPPDUYSG-UHFFFAOYSA-N,2,1,0.454,26,1,463.904,4.484,5,0.354,0.66,1.0,0.4830974573367144,0.46183434994174494,0.6870416695223083,0.687718456582825,0.5799229833458982
EOS-2-18762,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)c1,VOOBXLVKTKMOSO-UHFFFAOYSA-N,2,1,0.479,26,1,463.904,4.484,5,0.354,0.67,1.0,0.4805959152902474,0.4128401069152217,0.6925759029538757,0.6850541429648414,0.5677665170310465
EOS-2-18763,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c(Cl)c1,MAWUAZFGPHEOQZ-UHFFFAOYSA-N,2,1,0.671,91,520,463.904,4.484,5,0.354,0.7,1.0,0.8408608046055788,0.8932389829346857,0.6127407305873483,0.6671835377972722,0.7535060139812213
EOS-2-18764,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)c1,WJPQENIDUXTLBO-UHFFFAOYSA-N,2,1,0.473,26,1,463.904,4.484,5,0.354,0.64,1.0,0.4586303200603111,0.40335652114317044,0.6734459598382565,0.6760503049825235,0.5528707765060654
EOS-2-18765,CCc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)nn1C,VTXMNTKHCBANSM-UHFFFAOYSA-N,2,1,0.667,43,11,463.904,4.521,5,0.368,0.79,1.0,0.5709084367075594,0.6577856212733877,0.469647385374546,0.5194640531834692,0.5544513741347405
EOS-2-18766,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)c1,PSOVCJMBXGXGGA-UHFFFAOYSA-N,2,1,0.511,26,328,463.904,4.484,5,0.354,0.68,1.0,0.5735299157014598,0.5522839421561236,0.7390000685353986,0.7261582482352135,0.6477430436570489
EOS-2-18767,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)cc1,JLIJFCNUEIYDGL-UHFFFAOYSA-N,2,1,0.605,91,520,463.904,4.484,5,0.354,0.71,1.0,0.8764392433692002,0.8632718799259818,0.6397094099102186,0.6644078541566719,0.760957096840518
EOS-2-18768,CCCn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2F)cn1,FNLVBIBDIYGIEU-UHFFFAOYSA-N,2,1,0.5,16,394,463.904,4.831,5,0.344,0.6,1.0,0.5493197861695566,0.5759286546501268,0.6678517579329724,0.685062709889658,0.6195407271605784
EOS-2-18769,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2F)cn1,ZURFOPYBZJJXTG-UHFFFAOYSA-N,2,1,0.57,37,545,463.904,4.484,5,0.331,0.65,1.0,0.6724350627098896,0.6921903913371257,0.7030189843053938,0.6936039339318758,0.6903120930710712
EOS-2-18770,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)nc1,NZVORWWWMPZCGM-UHFFFAOYSA-N,2,1,0.469,26,1,463.904,4.484,5,0.354,0.59,1.0,0.6191402234253992,0.5759372215749434,0.6841717497087245,0.6790401617435405,0.6395723391131519
EOS-2-18771,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1C,UPGHFUDDIXKCOC-UHFFFAOYSA-N,2,1,0.658,43,520,463.904,4.75,5,0.361,0.7,1.0,0.7087673908573778,0.7528099513398671,0.6951631142485094,0.6962425467754095,0.713245750805291
EOS-2-18772,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)cn1,NCKFQOMPSRTEES-UHFFFAOYSA-N,2,1,0.671,84,360,463.904,4.484,5,0.354,0.76,1.0,0.6567061887464876,0.672503598108423,0.697827427866493,0.6821328216023577,0.6772925090809403
EOS-2-18773,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cccc(F)c4Cl)n23)c1,GJEIIMBKHXZYCN-UHFFFAOYSA-N,2,1,0.568,91,742,463.904,4.484,5,0.354,0.75,1.0,0.5413696799396889,0.5759457884997601,0.5584435610993078,0.6152936741827154,0.5727631759303681
EOS-2-18774,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)[nH]1,UYSVRLHZGJSRIY-UHFFFAOYSA-N,2,1,0.69,84,360,463.904,4.607,5,0.395,0.71,1.0,0.8567096155164142,0.7994311561921733,0.6626944691933384,0.6357943252690015,0.7386573915427319
EOS-2-18775,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)c1,GNDDLBNLNXDQGI-UHFFFAOYSA-N,2,1,0.568,91,742,463.904,4.484,5,0.354,0.72,1.0,0.5413782468645055,0.5865259406483448,0.5584521280241245,0.6090398190665479,0.5738490336508807
EOS-2-18776,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)n1C,DZRPHWVMASNRLI-UHFFFAOYSA-N,2,1,0.679,84,360,463.904,4.309,5,0.373,0.75,1.0,0.8478771160304297,0.7951391268590227,0.6598845178534714,0.6325645946131176,0.7338663388390104
EOS-2-18777,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cn1,GYEJBNZARWUKFC-UHFFFAOYSA-N,2,1,0.5,84,749,463.904,4.484,5,0.354,0.67,0.999,0.7211551641422795,0.6822698923994243,0.6458176273045028,0.6556867246933041,0.6762323521348776
EOS-2-18778,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,NFHBGHAXOVHMJP-UHFFFAOYSA-N,2,1,0.648,84,360,463.904,4.484,5,0.354,0.75,1.0,0.8184325954355425,0.729936262079364,0.6978359947913098,0.6821413885271743,0.7320865602083477
EOS-2-18779,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)cn1,ZTHSOVFGXPPQSL-UHFFFAOYSA-N,2,1,0.511,84,864,463.904,4.484,5,0.354,0.67,1.0,0.7242049893770133,0.6773953121787403,0.6816702076622576,0.6701219930093893,0.6883481255568501
EOS-2-18780,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cn2)cn1,VCACMDFUXKSKID-UHFFFAOYSA-N,2,1,0.534,84,73,463.904,4.484,5,0.354,0.72,1.0,0.5517527928174902,0.6336183263655678,0.6734545267630732,0.6729747789733397,0.6329501062298677
EOS-2-18781,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)nc1,GDWRDYCXAWGCIP-UHFFFAOYSA-N,2,1,0.573,84,308,463.904,4.484,5,0.354,0.73,0.979,0.7242135563018299,0.5811544787882942,0.7079706668494278,0.6905455417723254,0.6759710609279693
EOS-2-18782,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)cn1,COCUPLIIHFSXIF-UHFFFAOYSA-N,2,1,0.54,37,545,463.904,4.484,5,0.354,0.6,1.0,0.6815674045644575,0.677403879103557,0.7005088753341101,0.7073110136385443,0.6916977931601672
EOS-2-18783,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)cn2)cn1,JFWZMDQOWZSUAQ-UHFFFAOYSA-N,2,1,0.527,84,73,463.904,4.484,5,0.354,0.72,1.0,0.559497292851758,0.6051847028990474,0.6789202247961071,0.670130559934206,0.6284331951202796
EOS-2-18784,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,MRXJZWHQCYVZGF-UHFFFAOYSA-N,2,1,0.648,84,360,463.904,4.484,5,0.354,0.74,1.0,0.8156397779453087,0.7299448290041807,0.6978445617161264,0.6850712768144747,0.7321251113700226
EOS-2-18785,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)ncc4F)n23)c1,QCMNAVWEPCZAMD-UHFFFAOYSA-N,2,1,0.5,26,438,463.904,4.484,5,0.331,0.63,1.0,0.6275358097457336,0.6005157288739634,0.6925844698786924,0.6701391268590227,0.647693783839353
EOS-2-18786,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)cn2)n1C,MRBCRXATVBICRR-UHFFFAOYSA-N,2,1,0.551,84,73,463.904,4.309,5,0.373,0.65,1.0,0.7715886505380029,0.7528185182646837,0.6397179768350353,0.6211106161332328,0.6963089404427386
EOS-2-18787,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cn1,WTTDANJCICJOPO-UHFFFAOYSA-N,2,1,0.5,84,672,463.904,4.484,5,0.354,0.7,1.0,0.7148070728531286,0.7206668494277294,0.6734630936878898,0.6790487286683572,0.6969964361592762
EOS-2-18788,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)cn1C,KXOYJJGBLMLFOO-UHFFFAOYSA-N,2,1,0.687,84,360,463.904,4.309,5,0.373,0.73,1.0,0.8984305393735864,0.8745373860599,0.6514203961346036,0.6211191830580495,0.7613768761565348
EOS-2-18789,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nc1,UFCIOXXVJGTXLO-UHFFFAOYSA-N,2,1,0.573,84,308,463.904,4.484,5,0.354,0.71,0.979,0.7271177438146803,0.5811630457131108,0.7054862586525941,0.6905541086971421,0.6760802892193818
EOS-2-18790,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cn1,XQSUHKRLJGVYPU-UHFFFAOYSA-N,2,1,0.553,84,749,463.904,4.309,5,0.373,0.78,1.0,0.5791069837571106,0.6676375848125556,0.6273559043245837,0.6266619834144336,0.6251906140771708
EOS-2-18791,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1F,CBWIKOJJMKRRJQ-UHFFFAOYSA-N,2,1,0.562,35,669,463.904,4.484,5,0.331,0.69,1.0,0.8590226852169145,0.8036889178260571,0.6246830237817833,0.6153022411075321,0.7256742169830717
EOS-2-18792,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)cn1,HWUUDOVODQHXIH-UHFFFAOYSA-N,2,1,0.671,84,360,463.904,4.484,5,0.354,0.75,1.0,0.6632427523816051,0.6725121650332396,0.6978531286409431,0.6790572955931738,0.6781663354122404
EOS-2-18793,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)cn1,OPZMEJNNJWUMEL-UHFFFAOYSA-N,2,1,0.57,37,545,463.904,4.484,5,0.331,0.58,1.0,0.6693681036255226,0.6970478377081762,0.7156723322596121,0.707319580563361,0.6973519635391681
EOS-2-18794,Cc1cn(C)nc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1Cl,RWEFOXZJELZRRO-UHFFFAOYSA-N,2,1,0.553,37,161,463.904,4.309,5,0.373,0.65,1.0,0.6191487903502159,0.8113391816873415,0.6706445754232061,0.6614522650949215,0.6906462031389213
EOS-2-18795,CCn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)c2)c1,WSFVKBPJAOCJKQ-UHFFFAOYSA-N,2,1,0.505,26,438,463.904,4.484,5,0.331,0.61,1.0,0.7057861010211774,0.6533222534439038,0.6458261942293194,0.6295576040024673,0.658623038174217
EOS-2-18796,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)ccn2)cn1,FSWBADSQGHRRJB-UHFFFAOYSA-N,2,1,0.576,84,752,463.904,4.484,5,0.354,0.66,1.0,0.39940716880268656,0.45280481118497706,0.6706531423480228,0.6701476937838393,0.5482532040298814
EOS-2-18797,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1F,XEJMLDGIAJQJIN-UHFFFAOYSA-N,2,1,0.538,26,125,463.904,4.484,5,0.331,0.68,1.0,0.8237440888218766,0.7611027345624015,0.7236652731135631,0.7102237680762113,0.7546839661435132
EOS-2-18798,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1F,ILLAISGAQCOQEL-UHFFFAOYSA-N,2,1,0.583,37,669,463.904,4.309,5,0.349,0.73,1.0,0.6875299842368583,0.7528270851895004,0.7030275512302104,0.670156260708656,0.7033852203413062
EOS-2-18799,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cc2)nn1C,LDPLZFIGWRTDTC-UHFFFAOYSA-N,2,1,0.523,15,889,463.904,4.309,5,0.349,0.65,1.0,0.7390514700842985,0.7869748475087383,0.5846583510383113,0.5494140223425399,0.665024672743472
EOS-2-18800,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1,PITKGVHULSNMSS-UHFFFAOYSA-N,2,1,0.558,91,803,463.904,4.484,5,0.354,0.72,1.0,0.5440254266328559,0.5811716126379275,0.5183846206565691,0.5908608046055788,0.5586106161332328
EOS-2-18801,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cn1,ZAHMZYGSIOIPBC-UHFFFAOYSA-N,2,1,0.57,84,672,463.904,4.309,5,0.373,0.77,1.0,0.5735384826262765,0.6970564046329929,0.659893084778288,0.6501610581865533,0.6451622575560276
EOS-2-18802,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cn1,JDKAQIHSYZRXQE-UHFFFAOYSA-N,2,1,0.549,84,672,463.904,4.309,5,0.373,0.74,1.0,0.587759577821945,0.6970649715578096,0.6599016517031047,0.6472654375985196,0.6479979096703448
EOS-2-18803,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4nccc(Cl)c4C)n23)ccc1F,SNQXYKHINYOKPQ-UHFFFAOYSA-N,2,1,0.454,26,911,463.904,4.75,5,0.361,0.64,1.0,0.5680899184428757,0.6005242957987801,0.6870502364471249,0.667192104722089,0.6307141388527174
EOS-2-18804,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cn1,SPFVXCOSVXYWMD-UHFFFAOYSA-N,2,1,0.549,84,672,463.904,4.309,5,0.373,0.8,1.0,0.5877681447467618,0.6970735384826263,0.6599102186279213,0.6528339387293537,0.6493964601466657
EOS-2-18805,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)c(C)n1,CWALZEFADUVFIZ-UHFFFAOYSA-N,2,1,0.478,59,109,463.904,4.75,5,0.361,0.69,1.0,0.4783085463641971,0.5662394626824755,0.6303029264615174,0.6211277499828661,0.573994671372764
EOS-2-18806,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1ccn(C)n1,HBOFBSRDVGZJOK-UHFFFAOYSA-N,2,1,0.595,19,308,463.904,4.309,5,0.373,0.69,1.0,0.69960934822836,0.648130697005003,0.6514289630594202,0.6266705503392502,0.6564598896580083
EOS-2-18807,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)nc1,BEVJHJQOWGSDRH-UHFFFAOYSA-N,2,1,0.454,26,1,463.904,4.484,5,0.354,0.63,0.947,0.6079346857651977,0.5617589610033582,0.6541189774518539,0.6614608320197382,0.621318364060037
EOS-2-18808,O=C(O)c1cc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)ccc1Cl,BFTQSVKKOICMDB-UHFFFAOYSA-N,2,1,0.56,1,951,463.906,4.845,5,0.384,0.78,1.0,0.7211637310670962,0.547786306627373,0.7341340552395312,0.6729833458981564,0.6690168597080393
EOS-2-18809,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)n(C)n2)s1,RKTLSCAIRDQQEC-UHFFFAOYSA-N,2,1,0.472,36,226,463.914,3.456,5,0.388,0.61,0.993,0.40799122746898775,0.7021794256733603,0.21744568569666234,0.2735847440202865,0.40030027071482427
EOS-2-18810,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncc6ccccc56)c4)n23)cc1,HGTGZNDNQBUYTA-UHFFFAOYSA-N,2,1,0.61,12,994,463.928,6.239,6,0.303,0.83,1.0,0.9655009937632787,0.9713350695634295,0.9233174559660065,0.9439551778493592,0.9510271742855185
EOS-2-18811,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)nc1,LEWPIERMGFLXOM-UHFFFAOYSA-N,2,1,0.368,93,74,463.932,5.574,6,0.341,0.73,1.0,0.1497755465698033,0.2760605852923035,0.8129326297032418,0.8453327393598794,0.521025375231307
EOS-2-18812,Cc1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(-c2cccc(Cl)c2)n1,ICWKHRLWHHQASC-UHFFFAOYSA-N,2,1,0.326,30,668,463.932,5.668,6,0.337,0.7,1.0,0.013441505037351793,0.16942807209923927,0.692593036803509,0.762893221849085,0.4095889589472963
EOS-2-18813,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c(-c2ccc(Cl)cc2)n1,HNIYUOXDZHHXKL-UHFFFAOYSA-N,2,1,0.317,30,737,463.932,5.574,6,0.341,0.82,1.0,0.09856247001576314,0.2502484408196834,0.7079792337742444,0.7983174559660065,0.46377690014392436
EOS-2-18814,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cc4)n23)nc1,BAYHHYZJWNXXRO-UHFFFAOYSA-N,2,1,0.385,93,74,463.932,5.574,6,0.341,0.76,1.0,0.14978411349461998,0.2864008635460215,0.8148259200877254,0.8471060927969296,0.5245292474813241
EOS-2-18815,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccccc5-c5ccc(Cl)cc5)n34)cc2)n1,YLLGMAHUMZRBFH-UHFFFAOYSA-N,2,1,0.364,93,538,463.932,5.574,6,0.341,0.8,1.0,0.22441059557261325,0.370074018230416,0.7489891028716332,0.8111678431910082,0.5386603899664177
EOS-2-18816,Cn1cc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cc4)n23)c(-c2ccc(Cl)cc2)n1,GMJYPKVEGBAALJ-UHFFFAOYSA-N,2,1,0.368,69,38,463.932,5.574,6,0.341,0.79,1.0,0.11683572064971558,0.2917637584812556,0.7744071688026866,0.8415290247412789,0.5061339181687341
EOS-2-18817,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c(-c2ccncc2)n1,VEUJFAKUVBFJNJ-UHFFFAOYSA-N,2,1,0.405,69,30,463.932,5.574,6,0.341,0.78,1.0,0.13602563223905148,0.3311116441642108,0.8007675964635734,0.8471146597217463,0.5287548831471456
EOS-2-18818,Cn1cncc1-c1cc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,MIOMOMSGFSXCCW-UHFFFAOYSA-N,2,1,0.365,93,651,463.932,5.574,6,0.341,0.77,1.0,0.2838307861010212,0.3067387430607909,0.7962099924611061,0.837553971626345,0.5560833733123158
EOS-2-18819,Cn1cnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,XVPCTIFVFHCFFV-UHFFFAOYSA-N,2,1,0.37,93,107,463.932,5.574,6,0.341,0.76,1.0,0.2704064149133027,0.4262730450277568,0.7721969021999863,0.8415375916660955,0.5776034884517853
EOS-2-18820,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)cc5)n34)nc2)n1,TVUCJLBPRHQAQN-UHFFFAOYSA-N,2,1,0.385,93,74,463.932,5.574,6,0.341,0.74,1.0,0.1276643136179837,0.3016328558700569,0.8046569803303406,0.8375625385511617,0.5178791720923858
EOS-2-18821,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)nc2)n1,QLVLIUJQEOZHMW-UHFFFAOYSA-N,2,1,0.368,93,74,463.932,5.574,6,0.341,0.76,1.0,0.152542663285587,0.29682681104790626,0.802660886848057,0.8375711054759784,0.5224003666643822
EOS-2-18822,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)c(Cl)c1,MYZGEFOKHWLZJO-UHFFFAOYSA-N,2,1,0.373,93,107,463.932,5.574,6,0.341,0.76,1.0,0.2491775752175999,0.37956617092728395,0.7558683434994174,0.8314714550065109,0.5540208861627031
EOS-2-18823,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1-c1ccc(Cl)cc1,XMJVEQYAVSXYAQ-UHFFFAOYSA-N,2,1,0.321,30,737,463.932,5.574,6,0.341,0.75,1.0,0.09155472551572888,0.24032794188198203,0.7184051812761291,0.8089832773627579,0.4648177815091495
EOS-2-18824,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1-c1cccc(Cl)c1,NERIMCVSANZQRT-UHFFFAOYSA-N,2,1,0.333,30,737,463.932,5.574,6,0.341,0.71,1.0,0.05509389349599068,0.19081968336645877,0.7054948255774107,0.8025666506750737,0.43849376327873346
EOS-2-18825,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)cc5)n34)nc2)cn1,HMUNMIZORINTLT-UHFFFAOYSA-N,2,1,0.385,93,74,463.932,5.574,6,0.341,0.81,1.0,0.12197587553971627,0.29177232540607223,0.8457696525255294,0.8689260503049825,0.5321109759440751
EOS-2-18826,Cn1c(-c2ccc(Cl)cc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,DQGLUWOKODHBMT-UHFFFAOYSA-N,2,1,0.435,93,689,463.932,5.574,6,0.341,0.81,1.0,0.24640189157699952,0.47470187101637995,0.5877510108971283,0.7576673977109177,0.5166305428003564
EOS-2-18827,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cn1,OXEKAUNIHXNYGP-UHFFFAOYSA-N,2,1,0.392,69,987,463.932,5.574,6,0.341,0.76,1.0,0.26762216434788566,0.365070934137482,0.7722054691248029,0.8156826125693921,0.5551452950448907
EOS-2-18828,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cc4)n23)cc1,OHGJEXJFGYIHEJ-UHFFFAOYSA-N,2,1,0.411,93,538,463.932,5.574,6,0.341,0.81,1.0,0.17996538962374067,0.31193886642450824,0.7858611472825714,0.8415461585909122,0.5298278904804331
EOS-2-18829,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)nc2)cn1,FSQSSUVISIHKFN-UHFFFAOYSA-N,2,1,0.368,93,74,463.932,5.574,6,0.341,0.8,1.0,0.14664861901171955,0.2968353779727229,0.8442019052840792,0.8689346172297991,0.5391551298745803
EOS-2-18830,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)c(Cl)c4)n23)nc1,YHYZLAXYLCAXCL-UHFFFAOYSA-N,2,1,0.35,93,651,463.932,5.574,6,0.341,0.72,1.0,0.2356075663079981,0.29684394489753957,0.7441916249742992,0.7960986224384895,0.5181854396545816
EOS-2-18831,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4ccccc4Cl)nc3)n12,DSOGROZMUNCJSF-UHFFFAOYSA-N,2,1,0.333,30,93,463.932,5.574,6,0.341,0.7,0.737,0.06773867452539237,0.18233842779795764,0.6217702693441163,0.744714207388116,0.40414039476389557
EOS-2-18832,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccs6)s5)n34)o2)cn1,JENPBMGSSLFEJU-UHFFFAOYSA-N,2,1,0.262,76,272,463.935,5.347,6,0.325,0.65,0.982,0.14118292097868548,0.24033650880679872,0.2640497566993352,0.39598896580083615,0.2603895380714139
EOS-2-18833,COc1ccc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)n2)cc1,SHJQPULTGFSGOQ-UHFFFAOYSA-N,2,1,0.511,1,92,463.95,5.464,5,0.332,0.77,1.0,0.7211722979919128,0.8340758001507779,0.7104722088958947,0.6528425056541703,0.7296407031731889
EOS-2-18834,COc1cc(-c2nnc3cncc(OCc4sc(C)nc4-c4ccccc4)n23)ccc1Cl,LBOHRCQPRXUYLG-UHFFFAOYSA-N,2,1,0.506,1,347,463.95,5.464,5,0.332,0.74,1.0,0.867932287026249,0.8230930025358097,0.5385597285998218,0.5226852169145364,0.6880675587691043
EOS-2-18835,COc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1cscn1,GIAOBGLPHWKPSQ-UHFFFAOYSA-N,2,1,0.683,11,955,463.95,5.198,5,0.33,0.78,1.0,0.852460420807347,0.8036974847508739,0.7416815160030156,0.7018367486806936,0.7749190425604825
EOS-2-18836,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccsc1,LZMZBDVMUQECGV-UHFFFAOYSA-N,2,1,0.533,15,103,463.95,5.198,5,0.309,0.67,1.0,0.8432681104790625,0.782854156671921,0.6734716606127065,0.6325731615379343,0.7330417723254061
EOS-2-18837,CCOc1ncc(Cl)cc1-c1nnc2cncc(OCc3ccc(-c4ccsc4)cc3)n12,DXBZMOWSTASGMT-UHFFFAOYSA-N,2,1,0.488,97,91,463.95,5.546,5,0.315,0.78,1.0,0.6275443766705503,0.6286495099719005,0.667860324857789,0.6385528750599685,0.640651771640052
EOS-2-18838,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nccs1,AEOULGNNLFPRGK-UHFFFAOYSA-N,2,1,0.443,18,690,463.954,4.542,5,0.35,0.62,0.965,0.5937307244191625,0.6481392639298198,0.18986875471180864,0.23523918854088136,0.41674448290041805
EOS-2-18839,Cc1cnc(C)c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)n1,MCXOIPFEFKDLJQ-UHFFFAOYSA-N,2,1,0.495,87,579,463.954,4.597,5,0.363,0.7,1.0,0.717916866561579,0.8037060516756905,0.217454252621479,0.2262610513330135,0.4913345555479405
EOS-2-18840,CCc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)s1,XLRPJMRKXFHUGN-UHFFFAOYSA-N,2,1,0.543,65,76,463.954,4.542,5,0.35,0.59,1.0,0.5680984853676924,0.757170516071551,0.24982866150366664,0.282674251250771,0.46444297854842026
EOS-2-18841,CCc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)s1,WGAQAOMXTBHALU-UHFFFAOYSA-N,2,1,0.505,87,304,463.954,4.542,5,0.35,0.64,1.0,0.5907065999588788,0.7869834144335549,0.20730244671372763,0.24969159070659996,0.45867101295319035
EOS-2-18842,CCc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cn1,IKIXVCXOHBGNHU-UHFFFAOYSA-N,2,1,0.452,7,567,463.954,4.808,5,0.357,0.74,1.0,0.5130045918717018,0.702187992598177,0.26781920361866907,0.25873826331300115,0.43543751285038723
EOS-2-18843,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(C)n2)s1,CXLHYMGPZYXGQU-UHFFFAOYSA-N,2,1,0.495,58,578,463.954,4.597,5,0.34,0.62,1.0,0.627552943595367,0.7869919813583716,0.3007847303132068,0.2884569255020218,0.5009466451922417
EOS-2-18844,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5sc(C)nc5Cl)n34)ccn2)n1,JKOXUOMGTABGTN-UHFFFAOYSA-N,2,1,0.524,75,583,463.954,4.597,5,0.363,0.71,1.0,0.6135374545952985,0.6676461517373724,0.15442738674525391,0.17796929614145707,0.4033950723048455
EOS-2-18845,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)c(C)n1,AKLIXLIKTXXXJM-UHFFFAOYSA-N,2,1,0.5,75,819,463.954,4.597,5,0.363,0.65,1.0,0.7179254334863957,0.7299533959289973,0.30079329723802345,0.2826828181755877,0.5078387362072511
EOS-2-18846,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)c(C)n1,PESUXVXXWOKCAY-UHFFFAOYSA-N,2,1,0.474,87,579,463.954,4.597,5,0.363,0.73,1.0,0.7242221232266466,0.8076040024672744,0.29357994654238917,0.2766859708039202,0.5255230107600576
EOS-2-18847,CCc1nc(-c2nnc3cncc(OCCc4scnc4Cl)n23)ccc1-c1ccccn1,HLNPTQYESOPMLN-UHFFFAOYSA-N,2,1,0.478,49,578,463.954,4.542,5,0.35,0.6,0.77,0.5413868137893222,0.619637105064766,0.1162703036118155,0.1670207662257556,0.3610787471729148
EOS-2-18848,Cc1cc(-c2nnc3cncc(OCc4csc(-c5cnccn5)n4)n23)ccc1Cl,RSHPOJZEKWBFIS-UHFFFAOYSA-N,2,1,0.506,4,540,435.9,4.246,5,0.407,0.73,1.0,0.5493283530943732,0.7439688849290659,0.3792577616338839,0.4149904050442053,0.5218863511753821
EOS-2-18849,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cs1,ZWEYAQOOBXTYPX-UHFFFAOYSA-N,2,1,0.477,4,464,435.9,4.246,5,0.381,0.76,1.0,0.43098485367692413,0.5065879651840175,0.3976595161400864,0.39918442875745325,0.4336041909396203
EOS-2-18850,Clc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c1,HJRSRVMBGMPBAB-UHFFFAOYSA-N,2,1,0.571,75,583,435.9,3.98,5,0.398,0.72,1.0,0.6933811938866424,0.7393941470769653,0.3080751833321911,0.3612158179699815,0.5255165855664451
EOS-2-18851,Cc1nsc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)n1,SHFKNUIOVGWFSF-UHFFFAOYSA-N,2,1,0.432,46,160,435.9,4.246,5,0.407,0.72,1.0,0.4102871633198547,0.5292646151737372,0.24618771845658283,0.367700980056199,0.3883601192515934
EOS-2-18852,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cs1,NJBWILUWKDOLOU-UHFFFAOYSA-N,2,1,0.518,2,422,435.9,4.246,5,0.407,0.7,1.0,0.45193098485367694,0.5477948735521897,0.4337605373175245,0.43412891508464124,0.4669038277020081
EOS-2-18853,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cs1,VOFNYVYBPTWSFR-UHFFFAOYSA-N,2,1,0.518,55,283,435.9,4.246,5,0.407,0.78,1.0,0.6359742306901515,0.687281543417175,0.41894832430950585,0.4216469056267562,0.5409627510108971
EOS-2-18854,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)n1,IDCAYALUIXCPDW-UHFFFAOYSA-N,2,1,0.547,24,583,435.9,3.98,5,0.372,0.68,1.0,0.6478308546364198,0.7021965595229936,0.2713230758686862,0.31644506887807555,0.48444888972654376
EOS-2-18855,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,UBFKUMNYYDXJMW-UHFFFAOYSA-N,2,1,0.477,7,858,435.9,4.246,5,0.407,0.63,1.0,0.5652285655541087,0.6382958673154684,0.4624854362278117,0.4497464190254266,0.5289390720307039
EOS-2-18856,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)nc1,WYWIILXXAPZKNK-UHFFFAOYSA-N,2,1,0.59,75,583,435.9,3.98,5,0.398,0.68,1.0,0.7087759577821945,0.7394027140017819,0.3008018641628401,0.344852991570146,0.5234583818792407
EOS-2-18857,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnsc5Cl)cn4)n23)cc1,OSHMVARBHRVMOU-UHFFFAOYSA-N,2,1,0.561,4,22,435.9,4.246,5,0.407,0.72,1.0,0.48562470015763143,0.5958381879240627,0.37926632855870057,0.4086166129806045,0.46733645740524976
EOS-2-18858,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cs1,GFICHVXRNUXHDR-UHFFFAOYSA-N,2,1,0.448,18,324,435.9,3.98,5,0.398,0.69,1.0,0.6359827976149681,0.7253358234528133,0.4152131450894387,0.44334692618737576,0.554969673086149
EOS-2-18859,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)s1,MCFKRRYVDXRGKC-UHFFFAOYSA-N,2,1,0.56,4,506,435.9,4.246,5,0.407,0.73,1.0,0.4783171132890138,0.5958467548488795,0.32655404016174355,0.3677095469810157,0.4421068638201631
EOS-2-18860,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)s1,LXXFMYMHYWDAKN-UHFFFAOYSA-N,2,1,0.478,54,411,435.9,3.98,5,0.398,0.76,0.995,0.6996179151531766,0.7022051264478103,0.30464841340552395,0.3867109862243849,0.5232956103077239
EOS-2-18861,Cc1snnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,JETWHNUISSWSMA-UHFFFAOYSA-N,2,1,0.58,4,32,435.9,4.246,5,0.407,0.73,1.0,0.5054999657323007,0.7699780686724693,0.3564183400726475,0.4308820505791241,0.5156946062641354
EOS-2-18862,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)cs1,FSNQORMXYQVYHM-UHFFFAOYSA-N,2,1,0.466,24,786,435.9,4.246,5,0.381,0.79,1.0,0.6275615105201837,0.7162463162223288,0.43376910424234116,0.41810019875265575,0.5489192824343774
EOS-2-18863,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ncn2)cn1,MHMDRILTJYZLCT-UHFFFAOYSA-N,2,1,0.424,18,194,435.9,3.98,5,0.372,0.67,1.0,0.5907151668836954,0.6383044342402852,0.4189568912343225,0.4594099102186279,0.5268466006442327
EOS-2-18864,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)nc1,RSCJUOGUMKKHSW-UHFFFAOYSA-N,2,1,0.583,72,889,435.9,3.98,5,0.398,0.76,1.0,0.7116201768213282,0.7657031731889521,0.42993112192447397,0.48681550270714824,0.5985174936604756
EOS-2-18865,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)nc1,ZRAKHPPYFYQUBW-UHFFFAOYSA-N,2,1,0.547,87,307,435.9,3.98,5,0.398,0.68,1.0,0.6996264820779933,0.8442790076074292,0.3753769446919334,0.414998971969022,0.5835703515865944
EOS-2-18866,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)n1,BKBWSDRYHZUMQX-UHFFFAOYSA-N,2,1,0.524,4,506,435.9,4.246,5,0.407,0.75,1.0,0.5791155506819272,0.6676547186621891,0.3714447262010829,0.3991929956822699,0.5043519978068672
EOS-2-18867,Clc1sccc1CCOc1cncc2nnc(-c3ccnc(-c4ccncn4)c3)n12,QEXBKKHZMCKVQM-UHFFFAOYSA-N,2,1,0.538,75,359,435.9,3.98,5,0.398,0.61,1.0,0.7390600370091152,0.6872901103419916,0.4412651634569255,0.46869645671989585,0.584077941881982
EOS-2-18868,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)cnn2)cc1,NMEBWZTZQGFEEI-UHFFFAOYSA-N,2,1,0.581,72,275,435.9,3.98,5,0.398,0.64,1.0,0.6218302378178329,0.807612569392091,0.3193578233157426,0.43715303954492496,0.5464884175176479
EOS-2-18869,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)s1,ISEZCHOADVBLIY-UHFFFAOYSA-N,2,1,0.523,55,939,435.9,4.246,5,0.407,0.67,1.0,0.6245887876088,0.5912206154478789,0.44127373038174217,0.440142896305942,0.5243065074360908
EOS-2-18870,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)n1,UCHWGJWCVAILHY-UHFFFAOYSA-N,2,1,0.466,7,85,435.9,4.246,5,0.407,0.61,1.0,0.6359913645397848,0.7346909053526146,0.3938129668974025,0.3959975327256528,0.5401231923788637
EOS-2-18871,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)s1,PHIVPPSRXWLJDG-UHFFFAOYSA-N,2,1,0.483,87,838,435.9,3.98,5,0.398,0.69,1.0,0.6786546501267905,0.7162548831471455,0.49352340483859913,0.5362980604482215,0.6061827496401891
EOS-2-18872,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)ccn1,OKAJXTYRYWJYGA-UHFFFAOYSA-N,2,1,0.545,35,76,435.9,3.98,5,0.372,0.67,1.0,0.7211808649167295,0.8632804468507984,0.45208518950037696,0.4718405181276129,0.6270967548488795
EOS-2-18873,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)nc2C)s1,UMCICOLUWYAMGZ-UHFFFAOYSA-N,2,1,0.391,13,374,435.9,4.767,5,0.401,0.74,1.0,0.4264101158248235,0.5247155780960866,0.21746281954629565,0.29137824686450553,0.36499169008292787
EOS-2-18874,Clc1ccc(-c2nnc3cncc(OCCc4cncnn4)n23)cc1-c1ccsc1,RDCXPLWGKAQQQO-UHFFFAOYSA-N,2,1,0.536,37,494,435.9,3.98,5,0.398,0.68,1.0,0.8478856829552464,0.8852631759303681,0.4412822973065588,0.5560962236995408,0.6826318449729285
EOS-2-18875,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)s1,VYLCKZNWUQYPPC-UHFFFAOYSA-N,2,1,0.5,58,954,435.9,3.98,5,0.398,0.74,1.0,0.7943167020766225,0.8571122609827976,0.3828216023576177,0.4150075388938387,0.6123145260777191
EOS-2-18876,Clc1scnc1CCOc1cncc2nnc(-c3cccc(-c4cnccn4)c3)n12,XEHOJXNZMXKDBF-UHFFFAOYSA-N,2,1,0.512,15,846,435.9,3.98,5,0.398,0.72,1.0,0.644729627852786,0.7206754163525461,0.28650366664382154,0.36771811390583237,0.5049067061887464
EOS-2-18877,Clc1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ncn2)ccn1,UPVDDOJQRXAVMW-UHFFFAOYSA-N,2,1,0.415,18,194,435.9,3.98,5,0.372,0.69,1.0,0.5567473099856076,0.5478034404770064,0.42283770817627303,0.46551812761291206,0.4982266465629498
EOS-2-18878,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)s1,BOIWUGQAQBZBSS-UHFFFAOYSA-N,2,1,0.541,72,628,435.9,4.246,5,0.381,0.75,1.0,0.5817798642999109,0.5707713659104928,0.38283016928243435,0.39920156260708656,0.48364574052498116
EOS-2-18879,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,GMANSRZTDCZKFD-UHFFFAOYSA-N,2,1,0.449,7,720,435.9,4.246,5,0.407,0.71,1.0,0.5130131587965184,0.5428688917826057,0.4046758275649373,0.3992101295319032,0.46494200191899115
EOS-2-18880,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,YWGPQWBBVGEAOJ-UHFFFAOYSA-N,2,1,0.494,2,419,435.9,4.246,5,0.407,0.7,1.0,0.5877767116715784,0.6627715715166884,0.5111455691864848,0.48402268521691455,0.5614291343979165
EOS-2-18881,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)ncn2)cc1,VYIOGENQZGAXDC-UHFFFAOYSA-N,2,1,0.528,44,130,435.9,3.98,5,0.398,0.81,0.998,0.6164245082585155,0.702213693372627,0.2790333082036872,0.3901977246247687,0.49696730861489957
EOS-2-18882,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)n1,KLOCSDFWXQOWKN-UHFFFAOYSA-N,2,1,0.518,4,43,435.9,4.246,5,0.381,0.8,1.0,0.4658265369063121,0.5759543554245768,0.3411863477486122,0.3612243848947982,0.4360479062435748
EOS-2-18883,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)s1,YGDMAXMZWZNQBL-UHFFFAOYSA-N,2,1,0.456,18,720,435.9,3.98,5,0.398,0.72,1.0,0.6302001233637173,0.6196456719895826,0.36007641696936465,0.40862517990542113,0.5046368480570215
EOS-2-18884,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)cn1,BDYPWACQGAAQPM-UHFFFAOYSA-N,2,1,0.537,58,56,435.9,3.98,5,0.372,0.69,1.0,0.7332002604345145,0.8852717428551847,0.3564269069974642,0.38039716263450074,0.5888240182304161
EOS-2-18885,Clc1sccc1CCOc1cncc2nnc(-c3cc(-c4ccncc4)ncn3)n12,BYNGZVOZQAXWKK-UHFFFAOYSA-N,2,1,0.466,18,194,435.9,3.98,5,0.398,0.62,0.997,0.5493369200191899,0.5201322733191693,0.41522171201425534,0.4655266945377287,0.4875543999725859
EOS-2-18886,Cc1cncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)n1,LLHHHLQIFSQGPA-UHFFFAOYSA-N,2,1,0.429,7,181,435.9,4.246,5,0.407,0.66,1.0,0.5154632992940854,0.5247241450209033,0.3938215338222192,0.4021999862929203,0.45905224110753207
EOS-2-18887,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)s1,XYBPIMDFDPHORW-UHFFFAOYSA-N,2,1,0.571,4,506,435.9,4.246,5,0.407,0.64,1.0,0.4169350969775889,0.5662480296072921,0.3302635186073607,0.3804057295593174,0.4234630936878898
EOS-2-18888,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)cn1,NCOUVVCFGRGPLB-UHFFFAOYSA-N,2,1,0.429,46,238,435.9,4.246,5,0.407,0.66,1.0,0.5388767048180385,0.5522925090809403,0.44484613803029266,0.4341374820094579,0.4925382084846823
EOS-2-18889,Cc1csc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,KDIHQLZIAOTJJS-UHFFFAOYSA-N,2,1,0.556,4,32,435.9,4.246,5,0.407,0.74,1.0,0.6875385511616751,0.8442875745322459,0.27904187512850387,0.34486155849496264,0.5389323898293469
EOS-2-18890,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)s1,CFHBCTIZYSODNE-UHFFFAOYSA-N,2,1,0.478,87,227,435.9,3.98,5,0.398,0.72,1.0,0.6875471180864917,0.7439774518538825,0.4869868412034816,0.5259063806456035,0.6111044479473648
EOS-2-18891,Cc1ncsc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)ncn3)n12,JQFUSEAECGDZIB-UHFFFAOYSA-N,2,1,0.466,44,488,435.9,4.246,5,0.407,0.77,0.993,0.5817884312247276,0.6196542389143993,0.32290453018984305,0.3930419436639024,0.4793472859982181
EOS-2-18892,Clc1sccc1CCOc1cncc2nnc(-c3cc(-c4cncnc4)ccn3)n12,UMGJMVGQIQEWLU-UHFFFAOYSA-N,2,1,0.429,18,840,435.9,3.98,5,0.398,0.61,0.983,0.5709170036323761,0.5865345075731615,0.47308272222602976,0.5162857240764855,0.5367049893770133
EOS-2-18893,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)cn1,CSBDVYVODJWMMI-UHFFFAOYSA-N,2,1,0.471,55,282,435.9,4.246,5,0.407,0.75,1.0,0.630208690288534,0.7611113014872182,0.4520937564251936,0.42786649304365704,0.5678200603111507
EOS-2-18894,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)cs1,RFNCWDQYCVVTSR-UHFFFAOYSA-N,2,1,0.58,24,912,435.9,4.246,5,0.407,0.74,1.0,0.5080529093276678,0.5707799328353095,0.37538551161675004,0.38347268864368445,0.45942276060585296
EOS-2-18895,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ncn2)cn1,BLOVZCBPVZDRPH-UHFFFAOYSA-N,2,1,0.483,46,238,435.9,4.246,5,0.407,0.65,0.992,0.5652371324789254,0.5247327119457199,0.49698444246453294,0.47184908505242956,0.514700842985402
EOS-2-18896,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)s1,YBABFLNDWMPCNQ-UHFFFAOYSA-N,2,1,0.573,4,43,435.9,4.246,5,0.407,0.71,1.0,0.4831060242615311,0.5958553217736962,0.39006922075251865,0.3930505105887191,0.4655202693441163
EOS-2-18897,COc1ccc(Cl)cc1-c1nnc2cncc(-c3ccc(-c4nnc(C)s4)cn3)n12,HXINTACFEQXBOK-UHFFFAOYSA-N,2,1,0.381,22,985,435.9,4.342,5,0.414,0.69,1.0,0.22441916249742994,0.3507299019943801,0.33027208553217735,0.3514323898293469,0.31421338496333356
EOS-2-18898,Cc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccnnc1,BZVUOHULLNOKIW-UHFFFAOYSA-N,2,1,0.418,46,122,435.9,4.246,5,0.407,0.58,1.0,0.5236018778699199,0.5662565965321088,0.45210232335001027,0.4560602426153108,0.4995052600918375
EOS-2-18899,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)cs1,CXORFKJOIOAWAN-UHFFFAOYSA-N,2,1,0.536,24,912,435.9,4.246,5,0.381,0.78,1.0,0.4856332670824481,0.5337451168528545,0.34488725926941266,0.35144095675416354,0.42892664998971974
EOS-2-18900,Clc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)n1,FTSAZYWGTNRWRL-UHFFFAOYSA-N,2,1,0.494,75,496,435.9,3.98,5,0.398,0.76,1.0,0.6164330751833322,0.6577941881982043,0.3265626070865602,0.39020629154958536,0.49774904050442054
EOS-2-18901,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)s1,KYTNEHZLWGHYKX-UHFFFAOYSA-N,2,1,0.483,97,655,435.9,4.246,5,0.381,0.76,1.0,0.565245699403742,0.5958638886985128,0.3229130971146597,0.3353865396477281,0.45485230621616063
EOS-2-18902,Clc1ncsc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,JJEUZFCNPKGVIN-UHFFFAOYSA-N,2,1,0.571,75,583,435.9,3.98,5,0.398,0.68,1.0,0.6845144267013913,0.7162634500719621,0.22829141251456378,0.3038602563223905,0.48323238640257693
EOS-2-18903,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnc(-c4cccnc4)s3)n12,MWGXFRZRFMDGKK-UHFFFAOYSA-N,2,1,0.489,4,534,435.9,4.246,5,0.407,0.76,1.0,0.5105373175245014,0.7206839832773627,0.2640583236241519,0.3576862449455144,0.4632414673428825
EOS-2-18904,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ccn2)n1,JWTDLBBOQBMLBL-UHFFFAOYSA-N,2,1,0.489,7,99,435.9,4.246,5,0.407,0.68,1.0,0.6330871770269344,0.5958724556233295,0.4556661640737441,0.44335549311219247,0.5319953224590501
EOS-2-18905,Clc1cncc(CCOc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)n1,JPPPKQKGAZYOML-UHFFFAOYSA-N,2,1,0.489,15,846,435.9,3.98,5,0.398,0.68,1.0,0.6390668905489686,0.729961962853814,0.33028065245699406,0.39305907751353575,0.5230921458433281
EOS-2-18906,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)nc1,NLPYZKOAAXVSMC-UHFFFAOYSA-N,2,1,0.528,87,307,435.9,3.98,5,0.398,0.75,1.0,0.6507693098485368,0.6872986772668083,0.3448958261942293,0.3930676444383524,0.5190078644369817
EOS-2-18907,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)n1,HZQDYFNFXOFYSS-UHFFFAOYSA-N,2,1,0.512,7,99,435.9,4.246,5,0.407,0.68,1.0,0.5965406757590296,0.6286580768967172,0.4010862860667535,0.40517270920430404,0.5078644369817011
EOS-2-18908,Clc1ncsc1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,QIHUBAZFXNQABW-UHFFFAOYSA-N,2,1,0.538,75,496,435.9,3.98,5,0.398,0.69,1.0,0.6478394215612364,0.769986635597286,0.2865122335686382,0.367726680830649,0.5180162428894524
EOS-2-18909,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)cs1,YZGXNRNJFVHOBR-UHFFFAOYSA-N,2,1,0.53,24,786,435.9,4.246,5,0.407,0.76,1.0,0.5362209581248715,0.6774124460283737,0.367572476183949,0.3740747721197999,0.48882016311424853
EOS-2-18910,Clc1ccc(CCOc2cncc3nnc(-c4cccnc4-c4ccncn4)n23)s1,DASCYWWVPHOLRR-UHFFFAOYSA-N,2,1,0.505,58,954,435.9,3.98,5,0.398,0.59,1.0,0.7658402439860188,0.7657117401137687,0.30081043108765676,0.3644369817010486,0.5491998492221232
EOS-2-18911,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)s1,FOXUWHOXFOAGIH-UHFFFAOYSA-N,2,1,0.554,55,879,435.9,4.246,5,0.381,0.73,1.0,0.602306216160647,0.6873072441916249,0.43745288191350834,0.4181087656774724,0.5362937769858132
EOS-2-18912,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccnc(-c4ccns4)n3)n12,SFOQAUDRIDSJMF-UHFFFAOYSA-N,2,1,0.494,4,539,435.9,4.246,5,0.407,0.72,1.0,0.5595058597765746,0.7439860187786992,0.3302892193818107,0.38041429648413405,0.5035488486053047
EOS-2-18913,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)s1,VVPTVZLOBXPCDL-UHFFFAOYSA-N,2,1,0.529,75,420,435.9,3.98,5,0.398,0.73,1.0,0.8106195600027414,0.7657203070385854,0.290024672743472,0.33539510657254473,0.5504399115893358
EOS-2-18914,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)nn1,OGRTXMNBQGJESF-UHFFFAOYSA-N,2,1,0.478,87,419,435.9,3.98,5,0.398,0.71,1.0,0.5288791035569872,0.6286666438215338,0.36008498389418137,0.4401514632307587,0.4894455486258653
EOS-2-18915,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5nncs5)n34)c2)nc1,YEOYOOWCLIKLCZ-UHFFFAOYSA-N,2,1,0.506,72,628,435.9,3.98,5,0.398,0.72,1.0,0.6191573572750325,0.7070283051195942,0.27133164279350286,0.39921869645671987,0.4991840004112124
EOS-2-18916,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)s1,ZHOFLOVNDCNYFU-UHFFFAOYSA-N,2,1,0.517,75,496,435.9,3.98,5,0.398,0.72,1.0,0.7568963744774175,0.7657288739634021,0.4448547049551093,0.47477897333972996,0.6105647316839147
EOS-2-18917,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ccn2)cn1,GQANSKDKQFXPRB-UHFFFAOYSA-N,2,1,0.483,51,441,435.9,4.246,5,0.407,0.72,1.0,0.6755791241176068,0.6336268932903845,0.5148122130080186,0.4747875402645466,0.5747014426701391
EOS-2-18918,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCc4ccns4)n23)n1,WVRIIPRVWHVEPM-UHFFFAOYSA-N,2,1,0.477,44,531,435.9,4.246,5,0.407,0.68,1.0,0.5206719895826194,0.5707884997601261,0.32657117401137686,0.40220855321773696,0.4550600541429648
EOS-2-18919,Clc1sccc1CCOc1cncc2nnc(-c3cccnc3-c3cnccn3)n12,NTTUUMYKPOYYOU-UHFFFAOYSA-N,2,1,0.5,65,324,435.9,3.98,5,0.398,0.53,0.999,0.6164416421081489,0.7346994722774313,0.3265797409361935,0.390214858474402,0.516983928449044
EOS-2-18920,Clc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)n1,BEJJGVHPZFEJRN-UHFFFAOYSA-N,2,1,0.489,87,173,435.9,3.98,5,0.372,0.65,1.0,0.5817969981495442,0.6481478308546365,0.3792748954835172,0.4278750599684737,0.5092736961140428
EOS-2-18921,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)nc1,LDJMGWJTUGRWMX-UHFFFAOYSA-N,2,1,0.482,2,131,435.9,4.246,5,0.407,0.69,1.0,0.5818055650743609,0.657802755123021,0.39007778767733536,0.39600609965046946,0.5064230518812967
EOS-2-18922,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)cn1,CYATWPLAIMUADV-UHFFFAOYSA-N,2,1,0.542,7,99,435.9,4.246,5,0.407,0.68,1.0,0.5848896580083613,0.6336354602152011,0.4114179973956549,0.4051812761291207,0.5087810979370846
EOS-2-18923,Clc1sccc1CCOc1cncc2nnc(-c3cc(-c4ccnnc4)ccn3)n12,LORYMGNHVLOLFH-UHFFFAOYSA-N,2,1,0.433,18,840,435.9,3.98,5,0.398,0.6,1.0,0.5567558769104243,0.552301076005757,0.479987663628264,0.5259149475704201,0.5287398910287164
EOS-2-18924,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)cn1,YIFSQNGPFTVXRJ-UHFFFAOYSA-N,2,1,0.588,72,889,435.9,3.98,5,0.372,0.77,1.0,0.7332088273593311,0.7870005482831882,0.4969930093893496,0.5296244260160373,0.6367067027619765
EOS-2-18925,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)s1,BBLVOBMRMQZVBX-UHFFFAOYSA-N,2,1,0.477,72,628,435.9,4.246,5,0.381,0.71,1.0,0.5877852785963951,0.619662805839216,0.390086354602152,0.4118891782605716,0.5023559043245837
EOS-2-18926,Clc1cccc(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)n1,SUJZDECAPUOKNN-UHFFFAOYSA-N,2,1,0.489,87,173,435.9,3.98,5,0.372,0.75,1.0,0.584898224933178,0.6578113220478377,0.31181036255225825,0.36444554862586526,0.47974136453978483
EOS-2-18927,Cc1snnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,RYWYVYLNMIVBOR-UHFFFAOYSA-N,2,1,0.645,16,389,435.9,4.246,5,0.407,0.71,0.992,0.7303132067712974,0.7828627235967377,0.33749400315262834,0.4216554725515729,0.568081351518059
EOS-2-18928,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cs1,HGDAAEPOFTXKPV-UHFFFAOYSA-N,2,1,0.44,2,422,435.9,4.246,5,0.381,0.7,1.0,0.5465955040778562,0.5811801795627441,0.49700157631416625,0.47776883010074706,0.5256365225138784
EOS-2-18929,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nc2)nn1,JSJLQXPFUKGCTQ-UHFFFAOYSA-N,2,1,0.422,53,122,435.9,4.246,5,0.407,0.73,1.0,0.5261890891645535,0.6149509971900486,0.38642827770543486,0.39307621136316906,0.48016114385580155
EOS-2-18930,Clc1ncsc1CCOc1cncc2nnc(-c3cccnc3-c3ccccn3)n12,GAQZTJIVUKJIMB-UHFFFAOYSA-N,2,1,0.512,58,747,435.9,3.98,5,0.398,0.57,0.956,0.6567147556713042,0.7699952025221026,0.157648550476321,0.24677026934411625,0.457782194503461
EOS-2-18931,Clc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3cncs3)n12,CXHFBWIMLKMPCI-UHFFFAOYSA-N,2,1,0.532,35,143,435.9,3.98,5,0.372,0.7,1.0,0.6245973545336166,0.7394112809265986,0.32658830786101023,0.39022342539921867,0.520205092180111
EOS-2-18932,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5nccs5)n34)c2)cn1,CJAXXCSSVHRIIC-UHFFFAOYSA-N,2,1,0.602,87,419,435.9,3.98,5,0.372,0.69,1.0,0.6051247344253307,0.7439945857035158,0.36394010006168187,0.4308906175039408,0.5359875094236173
EOS-2-18933,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)s1,DPLBFMYQJBOIBF-UHFFFAOYSA-N,2,1,0.477,75,43,435.9,4.246,5,0.381,0.69,1.0,0.5595144267013913,0.6149595641148653,0.45567473099856076,0.44016003015557537,0.5175771879925981
EOS-2-18934,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)s1,ZFTGHVZIKVQGOT-UHFFFAOYSA-N,2,1,0.441,18,367,435.9,3.98,5,0.398,0.7,1.0,0.5877938455212117,0.5759629223493935,0.4299396888492907,0.4807415530121308,0.5186095024330066
EOS-2-18935,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)n1,ULVYOOHFTOIKGW-UHFFFAOYSA-N,2,1,0.549,24,786,435.9,4.246,5,0.381,0.73,1.0,0.46808820505791243,0.6005328627235967,0.19667945994105956,0.23524775546569804,0.37513707079706665
EOS-2-18936,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)n1,INFUNZDWZWZUDH-UHFFFAOYSA-N,2,1,0.547,24,583,435.9,3.98,5,0.372,0.71,1.0,0.6390754574737852,0.6676632855870057,0.3342043040230279,0.3804228634089507,0.5053414776231924
EOS-2-18937,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccncc5Cl)n34)c2)s1,WWDNSBXVEIHZAN-UHFFFAOYSA-N,2,1,0.483,72,628,435.9,4.246,5,0.407,0.75,1.0,0.6191659241998492,0.614968131039682,0.40468439448975396,0.440168597080392,0.5197467617024193
EOS-2-18938,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5nncs5)c4)n23)cn1,QDOVQVIWGOOIAQ-UHFFFAOYSA-N,2,1,0.568,72,628,435.9,3.98,5,0.372,0.68,1.0,0.7332173942841478,0.8269138510040436,0.42994825577410734,0.4687050236447125,0.6146961311767527
EOS-2-18939,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,YBQWVSPSSOEBDZ-UHFFFAOYSA-N,2,1,0.433,7,160,435.9,4.246,5,0.407,0.68,1.0,0.520680556507436,0.556995750805291,0.44830717565622646,0.43414604893427455,0.49003238297580703
EOS-2-18940,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)nn1,OFFPMIXUTZQQLG-UHFFFAOYSA-N,2,1,0.506,72,132,435.9,3.98,5,0.398,0.69,1.0,0.6218388047426496,0.6627801384415051,0.337502570077445,0.40863374683023784,0.5076888150229594
EOS-2-18941,Clc1nccnc1CCOc1cncc2nnc(-c3cccc(-c4nccs4)c3)n12,VHAIKLNYHMPLEW-UHFFFAOYSA-N,2,1,0.505,15,846,435.9,3.98,5,0.398,0.64,1.0,0.6478479884860531,0.7299705297786306,0.22829997943938043,0.3006990610650401,0.476704389692276
EOS-2-18942,Clc1snnc1CCOc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,WGOMDVGFXDBXRF-UHFFFAOYSA-N,2,1,0.471,11,503,435.9,3.98,5,0.398,0.79,1.0,0.40578096086628745,0.48804057295593173,0.13629120690836818,0.28846549242683844,0.32964455828935646
EOS-2-18943,Clc1scnc1CCOc1cncc2nnc(-c3cccc(-c4cncnc4)c3)n12,SMOYNLOPSQNIIZ-UHFFFAOYSA-N,2,1,0.5,15,215,435.9,3.98,5,0.398,0.69,1.0,0.6218473716674663,0.7162720169967788,0.3489137139332465,0.4341546158590912,0.5302969296141458
EOS-2-18944,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(-c2cscn2)n1,SLWAYZKKEFWUGC-UHFFFAOYSA-N,2,1,0.554,24,32,435.9,4.246,5,0.407,0.74,1.0,0.8361746967308615,0.9171321362483723,0.35643547392228087,0.4022171201425536,0.627989856761017
EOS-2-18945,Clc1sccc1CCOc1cncc2nnc(-c3cc(-c4ccccn4)ncn3)n12,AIINTRRSHQHNRW-UHFFFAOYSA-N,2,1,0.494,18,481,435.9,3.98,5,0.398,0.6,0.999,0.5849067918579947,0.5337536837776712,0.3265968747858269,0.39308477828798577,0.4595855321773696
EOS-2-18946,Clc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)cn1,PAAIHSRLPAXJAB-UHFFFAOYSA-N,2,1,0.523,65,434,435.9,3.98,5,0.372,0.72,1.0,0.7886882324720719,0.8408779384552121,0.3864368446302515,0.41189774518538824,0.6069751901857309
EOS-2-18947,Clc1cccc(COc2cncc3nnc(-c4ccc(Oc5ccsc5)cc4)n23)n1,ZOYXRBPXYDOJKE-UHFFFAOYSA-N,2,1,0.583,1,31,435.896,5.273,5,0.338,0.72,1.0,0.8432766774038791,0.7828712905215544,0.7365070934137482,0.7287625933794805,0.7728544136796656
EOS-2-18948,Clc1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1Oc1ccccc1,RDSKITZDGBPASM-UHFFFAOYSA-N,2,1,0.524,1,881,435.896,5.273,5,0.361,0.78,1.0,0.7914210814885888,0.8658676581454321,0.7184137482009458,0.7474127887053663,0.7807788191350833
EOS-2-18949,CCn1nc(C)nc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)n(C)n1,RZBWBTGXHLHGRG-UHFFFAOYSA-N,2,1,0.463,36,292,435.879,3.557,5,0.416,0.78,1.0,0.442413131382359,0.6383130011651018,0.03918511411143856,0.06918648481940923,0.29727443286957717
EOS-2-18950,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nn1C,SUOAHPFVLDTWAS-UHFFFAOYSA-N,2,1,0.408,31,477,435.879,2.595,5,0.378,0.65,0.999,0.31322390514700843,0.2248732095127133,0.12203584401343294,0.14137139332465218,0.20037608799945172
EOS-2-18951,CCn1ncnc1-c1cc(COc2cncc3nnc(-c4ccccc4Cl)n23)n(C)n1,DNZVRKOTHDDCGY-UHFFFAOYSA-N,2,1,0.506,36,404,435.879,3.036,5,0.404,0.71,1.0,0.2864865327941882,0.46613494619971213,0.054237201014323895,0.09911075320402989,0.22649235830306352
EOS-2-18952,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncn5C)n34)c(Cl)c2)n1,HIKVFZXQFPDSBM-UHFFFAOYSA-N,2,1,0.517,20,460,435.879,2.595,5,0.404,0.61,0.998,0.5055085326571174,0.6149766979644986,0.18004249194709068,0.18090775135357412,0.3703588684805702
EOS-2-18953,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnn(C)n5)nn4C)n23)ccc1Cl,NJSGVLCULDOVIK-UHFFFAOYSA-N,2,1,0.472,36,404,435.879,2.861,5,0.418,0.6,0.413,0.33560071276814474,0.6196713727640326,0.21747138647111233,0.21765129189226234,0.347598690973888
EOS-2-18954,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nn1C,OCZSLBGWDMMRFI-UHFFFAOYSA-N,2,1,0.43,31,569,435.879,2.595,5,0.378,0.61,1.0,0.31042252073195803,0.21957028305119594,0.18987732163662532,0.20000342676992666,0.22996838804742648
EOS-2-18955,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)cn1,YVAFNBWRPNBKDI-UHFFFAOYSA-N,2,1,0.456,31,569,435.879,2.595,5,0.378,0.73,1.0,0.32547460763484337,0.20467240079501062,0.22452196559522994,0.22323692687272975,0.24447647522445343
EOS-2-18956,Cn1ccnc1-c1c(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cnn1C,YTMVHOQGBJMLGR-UHFFFAOYSA-N,2,1,0.484,65,349,435.879,2.595,5,0.404,0.68,1.0,0.39731683914741966,0.3219364676855596,0.10523610444794737,0.13905832362415188,0.24088693372626963
EOS-2-18957,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nn2C)cn1,MGCBPDONOSPTON-UHFFFAOYSA-N,2,1,0.426,92,694,435.879,3.036,5,0.378,0.71,1.0,0.11684428757453225,0.16943663902405592,0.14238229045301898,0.1437358645740525,0.14309977040641492
EOS-2-18958,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nn2C)cn1,UPAOOLFGDHJQGK-UHFFFAOYSA-N,2,1,0.43,92,694,435.879,3.036,5,0.404,0.72,0.998,0.17410561304913988,0.16172640668905489,0.19668802686587622,0.20001199369474335,0.18313301007470356
EOS-2-18959,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1-c1ncnn1C,UHNJUJOJVIKJSR-UHFFFAOYSA-N,2,1,0.593,95,569,435.879,2.595,5,0.404,0.73,1.0,0.4079997943938044,0.2917808923308889,0.102486121581797,0.1565348502501542,0.23970041463916114
EOS-2-18960,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nn2C)cn1,PHSVOIKAYCJIBY-UHFFFAOYSA-N,2,1,0.457,31,235,435.879,2.595,5,0.404,0.75,0.904,0.3254831745596601,0.22488177643753,0.1737286683572065,0.19183058049482557,0.22898104996230553
EOS-2-18961,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)c2)n1,VPDJIHPQLQPVRX-UHFFFAOYSA-N,2,1,0.506,36,931,435.879,2.595,5,0.404,0.65,1.0,0.43516551298745804,0.5292731820985539,0.09740593516551299,0.11702419299568227,0.29471720581180183
EOS-2-18962,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)n1C,VHWFRYWXMCAODB-UHFFFAOYSA-N,2,1,0.542,36,404,435.879,2.861,5,0.418,0.72,0.995,0.5236104447947365,0.7299790967034473,0.06377218833527518,0.10121821670893016,0.3546449866355973
EOS-2-18963,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)n1,USINFBOYVZMOHW-UHFFFAOYSA-N,2,1,0.531,36,734,435.879,2.595,5,0.404,0.69,1.0,0.5622644095675416,0.6286752107463505,0.11320334452744843,0.14137996024946886,0.3613807312727023
EOS-2-18964,Cc1nn(C)cc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n(C)n1,QJWOABNIYQVCCD-UHFFFAOYSA-N,2,1,0.57,36,404,435.879,2.861,5,0.418,0.72,0.999,0.4608748543622781,0.6428620382427523,0.05042491947090672,0.08035775478034404,0.3086298917140703
EOS-2-18965,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)ccn2)c1,MFZPRZMGURNCEY-UHFFFAOYSA-N,2,1,0.478,31,359,435.879,2.595,5,0.404,0.67,1.0,0.4564371873072442,0.492598176958399,0.12727880200123365,0.14138852717428552,0.3044256733602906
EOS-2-18966,Cc1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)nn1C,FGOPTLBIDXWCAN-UHFFFAOYSA-N,2,1,0.549,36,404,435.879,2.861,5,0.418,0.71,1.0,0.47330546227126313,0.697082105407443,0.04357994654238914,0.0691950517442259,0.3207906414913303
EOS-2-18967,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nn2C)cn1,MYMDERMNWOXDID-UHFFFAOYSA-N,2,1,0.473,92,694,435.879,3.036,5,0.404,0.69,0.939,0.09156329244054554,0.18670755945445822,0.16409944486327188,0.17515934480159,0.15438241038996642
EOS-2-18968,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2C)cn1,XEZPFBQZKXSOFP-UHFFFAOYSA-N,2,1,0.462,92,694,435.879,3.036,5,0.404,0.67,0.987,0.12198444246453292,0.1867161263792749,0.16092111575628812,0.1643564526077719,0.15849453430196694
EOS-2-18969,Cn1ccnc1-c1c(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cnn1C,DVKIIGIUILLPBJ-UHFFFAOYSA-N,2,1,0.495,92,779,435.879,2.595,5,0.404,0.64,0.999,0.39302480981426907,0.3359776574600781,0.08080323487081077,0.11703275992049894,0.23170961551641422
EOS-2-18970,Clc1ccc(-c2nnc3cncc(-c4cc5ncccc5cn4)n23)cc1-c1cccnc1,QQVJJNYSJFLPFG-UHFFFAOYSA-N,2,1,0.31,32,20,435.878,5.117,6,0.384,0.72,1.0,0.294924953738606,0.497549859502433,0.7962185593859228,0.8624237543691317,0.6127792817490234
EOS-2-18971,Clc1ccc2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2c1,DYLUOOZJAYLAFP-UHFFFAOYSA-N,2,1,0.306,30,737,435.878,5.117,6,0.384,0.73,1.0,0.18565382770200808,0.35571585223768076,0.7416900829278322,0.8506099650469467,0.5334174319786169
EOS-2-18972,CC(C)n1ncnc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4ccco4)n23)c1,WSGYKBMUKHTCEE-UHFFFAOYSA-N,2,1,0.576,36,677,435.875,4.456,5,0.388,0.68,0.868,0.45644575423206085,0.6533308203687205,0.3792834624083339,0.33853060105544514,0.4568976595161401
EOS-2-18973,CCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)c2)cn1,UMLKOYOKRRLMBG-UHFFFAOYSA-N,2,1,0.423,31,711,435.875,3.938,5,0.382,0.74,1.0,0.3181841546158591,0.2708604619285861,0.3564440408470975,0.3385391679802618,0.3210069563429511
EOS-2-18974,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)o5)n34)c2)c(C)n1,FCSMQMYNBWNNTB-UHFFFAOYSA-N,2,1,0.456,92,36,435.875,4.204,5,0.394,0.77,1.0,0.32809608662874373,0.4441522171201426,0.3900949215269687,0.3448701254197793,0.37680333767390856
EOS-2-18975,N#Cc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)s5)n4)n23)cc1,MWGFEXFYZSXZOX-UHFFFAOYSA-N,2,1,0.523,89,731,435.856,4.007,5,0.406,0.74,1.0,0.8658762250702488,0.8408865053800287,0.4046929614145706,0.4928380508532657,0.6510734356795285
EOS-2-18976,N#Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1nnco1,IHQBGPGDLNFHCR-UHFFFAOYSA-N,2,1,0.489,72,554,435.856,4.007,5,0.406,0.67,1.0,0.7715972174628195,0.8190237132478926,0.6363768761565348,0.6443441162360359,0.7178354807758207
EOS-2-18977,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4nc(-c5ccnc(Cl)c5)cs4)n23)cc1,DCZNGIFVGJSZDN-UHFFFAOYSA-N,2,1,0.493,96,140,435.856,4.538,5,0.231,0.74,1.0,0.1579141251456377,0.15407614282777055,0.39010348845178533,0.29758070043177304,0.24991861421424166
EOS-2-18978,CCn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1,OXNYKVFAFHSKSQ-UHFFFAOYSA-N,2,1,0.524,13,520,435.85,4.655,5,0.399,0.69,1.0,0.6191744911246659,0.7483979850592831,0.6734802275375231,0.7156294976355287,0.6891705503392502
EOS-2-18979,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)c1,BJKNFPYIGHRGPD-UHFFFAOYSA-N,2,1,0.46,2,328,435.85,3.958,5,0.415,0.69,1.0,0.660021588650538,0.5912291823726955,0.814834487012542,0.8156911794942088,0.720444109382496
EOS-2-18980,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)n1,KPCVTWXYGLQOLE-UHFFFAOYSA-N,2,1,0.466,4,391,435.85,3.958,5,0.415,0.76,1.0,0.5388852717428552,0.6149852648893154,0.7390086354602152,0.742392570762799,0.6588179357137962
EOS-2-18982,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1F,IFIPWKPHFBAAFX-UHFFFAOYSA-N,2,1,0.578,4,71,435.85,3.958,5,0.415,0.64,1.0,0.6447381947776026,0.6822784593242409,0.7858697142073882,0.7867092728394216,0.7248989102871632
EOS-2-18983,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)n1,RUXULICAMZXNDJ-UHFFFAOYSA-N,2,1,0.483,2,910,435.85,3.958,5,0.415,0.66,1.0,0.5595229936262079,0.5865430744979782,0.8109108354465081,0.7983260228908231,0.6888257316153794
EOS-2-18984,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(-c2ccccn2)n1,HDBZPFLWFZFNKW-UHFFFAOYSA-N,2,1,0.523,34,10,435.85,3.958,5,0.415,0.67,1.0,0.5236190117195532,0.7700037694469193,0.5909036392296622,0.65016962511137,0.6336740113768762
EOS-2-18985,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1F,XXKKTGVQRXBCSP-UHFFFAOYSA-N,2,1,0.535,4,554,435.85,3.958,5,0.389,0.68,1.0,0.7148156397779453,0.6676718525118224,0.7580100747035844,0.7499571653759166,0.7226136830923172
EOS-2-18986,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,FGZRYVGCCCFYCS-UHFFFAOYSA-N,2,1,0.62,2,328,435.85,3.958,5,0.415,0.71,1.0,0.7332259612089644,0.6481563977794531,0.8473202659173463,0.8335874854362278,0.7655725275854979
EOS-2-18987,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1F,QDZOTGIARIWQQM-UHFFFAOYSA-N,2,1,0.573,4,71,435.85,3.958,5,0.415,0.61,1.0,0.6845229936262079,0.7070368720444109,0.7835994791309712,0.7751610581865533,0.7375801007470357
EOS-2-18988,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cn1,XRMASYOZDIOKOI-UHFFFAOYSA-N,2,1,0.477,13,251,435.85,4.48,5,0.414,0.76,1.0,0.42880028784867386,0.5617675279281749,0.6978616955657597,0.6936125008566925,0.5955105030498252
EOS-2-18989,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)c1,VIDKLCBRFCLPIY-UHFFFAOYSA-N,2,1,0.477,2,328,435.85,3.958,5,0.415,0.71,1.0,0.6191830580494826,0.605193269823864,0.8345041463916113,0.8273850318689603,0.7215663765334795
EOS-2-18990,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)nn1,VYFYSELDYKKYGB-UHFFFAOYSA-N,2,1,0.712,43,372,435.85,3.958,5,0.415,0.75,1.0,0.8932561167843192,0.9092934000411212,0.7876602014940717,0.8134980467411418,0.8509269412651634
EOS-2-18991,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ncccc2F)n1,BZOWPURFPVYSIR-UHFFFAOYSA-N,2,1,0.608,34,32,435.85,3.958,5,0.415,0.75,1.0,0.6724436296347063,0.8190322801727092,0.565348502501542,0.6472740045233363,0.6760246042080734
EOS-2-18992,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4Cl)n23)cc1,BCUOUBSMDNBCPK-UHFFFAOYSA-N,2,1,0.59,43,178,435.85,3.958,5,0.415,0.8,1.0,0.7800699061065041,0.7347080392022479,0.7515249126173669,0.7679391405661024,0.7585604996230554
EOS-2-18993,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cc2)n1,GBSIQSJBPQOHSH-UHFFFAOYSA-N,2,1,0.53,16,22,435.85,3.958,5,0.389,0.71,1.0,0.7773713247892536,0.6481649647042698,0.7814491810019876,0.747421355630183,0.7386017065314234
EOS-2-18994,OCCn1cc(-c2cncc3nnc(-c4ccc(Cl)nc4-c4cccc(F)c4)n23)cn1,ACFCFXLZESJQHK-UHFFFAOYSA-N,2,1,0.353,96,46,435.85,3.502,5,0.425,0.77,1.0,0.25969775889246793,0.32194503461037627,0.587759577821945,0.6962511137002262,0.4664133712562538
EOS-2-18995,Cn1cc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ODHIALNTSCWKRC-UHFFFAOYSA-N,2,1,0.556,34,335,435.85,3.958,5,0.415,0.69,1.0,0.882221917620451,0.9245596600644232,0.5653570694263587,0.6385614419847851,0.7526750222740044
EOS-2-18996,Cn1cc(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)cn2)cn1,NAZSKMRCICLENN-UHFFFAOYSA-N,2,1,0.5,59,877,435.85,3.958,5,0.415,0.82,1.0,0.6023147830854636,0.6336440271400178,0.7537266122952505,0.7499657323007334,0.6849127887053663
EOS-2-18997,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccc(F)nc2)n1,CZBGOMWOSWUXGR-UHFFFAOYSA-N,2,1,0.608,16,232,435.85,3.958,5,0.389,0.76,1.0,0.6359999314646014,0.8190408470975259,0.6926016037283257,0.7261668151600301,0.7184522993626208
EOS-2-18998,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccnc5Cl)n34)ccc2F)cn1,GGUWTKSDIKTVOE-UHFFFAOYSA-N,2,1,0.542,16,394,435.85,3.958,5,0.389,0.68,1.0,0.727126310739497,0.729987663628264,0.819991775752176,0.8111764101158249,0.7720705400589404
EOS-2-18999,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2F)cn1,ITUOINRNMUNOJI-UHFFFAOYSA-N,2,1,0.549,16,394,435.85,3.958,5,0.415,0.63,1.0,0.7116287437461449,0.7253443903776301,0.8378281132204783,0.8295952984716606,0.7760991364539785
EOS-2-19000,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)cn1,KCUGWVAPZMYXLB-UHFFFAOYSA-N,2,1,0.588,16,391,435.85,3.958,5,0.415,0.81,1.0,0.6755876910424234,0.8190494140223425,0.8200003426769926,0.7961071893633062,0.7776861592762662
EOS-2-19001,CCn1nc(-c2cncc(F)c2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,XAXKHWDMODDYLB-UHFFFAOYSA-N,2,1,0.481,13,706,435.85,4.655,5,0.399,0.75,1.0,0.6191916249742992,0.79943972311699,0.5974744705640463,0.6614693989445548,0.6693938043999725
EOS-2-19002,CCn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3cccc(F)c3)n12,TVVZYSULXRHJCV-UHFFFAOYSA-N,2,1,0.451,13,706,435.85,4.655,5,0.373,0.76,1.0,0.4658351038311288,0.6822870262490577,0.5813343842094442,0.632581728462751,0.5905095606880955
EOS-2-19003,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cn1,VUHLKUODLHOGLJ-UHFFFAOYSA-N,2,1,0.494,59,910,435.85,3.958,5,0.415,0.8,1.0,0.759851963539168,0.7022222602974436,0.7939140566102392,0.782083133438421,0.759517853471318
EOS-2-19004,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1,HTOUAWAIIUEMFP-UHFFFAOYSA-N,2,1,0.582,43,178,435.85,3.958,5,0.415,0.78,1.0,0.8081951202796245,0.7394198478514152,0.758018641628401,0.7629017887739017,0.7671338496333355
EOS-2-19005,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)cc1,DEEGKTYZHVCOLN-UHFFFAOYSA-N,2,1,0.59,43,178,435.85,3.958,5,0.415,0.7,1.0,0.7800784730313207,0.7440031526283325,0.7515334795421835,0.767947707490919,0.760890703173189
EOS-2-19006,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cn1,BGJFEYSGRUABHR-UHFFFAOYSA-N,2,1,0.641,59,294,435.85,3.958,5,0.415,0.76,1.0,0.8288756767870605,0.7657374408882187,0.8064731683914742,0.7937598519635392,0.798711534507573
EOS-2-19007,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)n1,XMMVEADZQICNIU-UHFFFAOYSA-N,2,1,0.465,13,412,435.85,4.48,5,0.414,0.84,1.0,0.7598605304639846,0.8076211363169077,0.6816787745870743,0.6614779658693716,0.7276596018093345
EOS-2-19008,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)n1,FYXMCHXQPORTCT-UHFFFAOYSA-N,2,1,0.746,43,96,435.85,3.958,5,0.415,0.76,1.0,0.9322099239257077,0.8800373517922007,0.8109194023713248,0.8004249194709068,0.855897899390035
EOS-2-19009,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,QBCIXSCEDILNRB-UHFFFAOYSA-N,2,1,0.529,16,772,435.85,3.958,5,0.415,0.7,1.0,0.6192001918991159,0.782879857446371,0.7918665615790556,0.7867178397642383,0.7451661126721951
EOS-2-19010,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)nc1,VPDGHSPXPBUTKD-UHFFFAOYSA-N,2,1,0.5,13,573,435.85,4.655,5,0.399,0.74,1.0,0.6507778767733534,0.6286837776711671,0.7466417654718662,0.7525615105201837,0.6946662326091426
EOS-2-19011,Cn1nc(-c2ccc(F)cn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,KWORZCOQBTVGHQ-UHFFFAOYSA-N,2,1,0.549,34,32,435.85,3.958,5,0.415,0.71,1.0,0.7271348776643136,0.887918922623535,0.6217788362689329,0.6790658625179905,0.7289746247686929
EOS-2-19012,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5c[nH]cn5)ccn4)n23)c1,OUGCKNQGYZJHKT-UHFFFAOYSA-N,2,1,0.494,18,752,435.85,3.99,5,0.433,0.57,1.0,0.6023233500102803,0.5958810225481461,0.7390172023850319,0.7726766499897197,0.6774745562332944
EOS-2-19013,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cn1,KJHVWLHLYKARKR-UHFFFAOYSA-N,2,1,0.575,46,294,435.85,3.958,5,0.415,0.79,1.0,0.5517613597423069,0.5106915221712014,0.8311716126379275,0.8156997464190254,0.6773310602426152
EOS-2-19014,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)c1,XFCMPDZXTUBARU-UHFFFAOYSA-N,2,1,0.53,43,521,435.85,3.958,5,0.415,0.71,1.0,0.5818141319991775,0.6481735316290864,0.7652148584744021,0.7961157562881228,0.6978295695976972
EOS-2-19015,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,UDOCBTQQHMETKH-UHFFFAOYSA-N,2,1,0.575,46,294,435.85,3.958,5,0.415,0.78,1.0,0.5567644438352409,0.5020731958056336,0.8311801795627441,0.8135066136659584,0.6758811082173942
EOS-2-19016,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c1,JHCKAGCYZUTLHX-UHFFFAOYSA-N,2,1,0.541,43,521,435.85,3.958,5,0.415,0.71,1.0,0.5937392913439792,0.6627887053663217,0.7939226235350558,0.8068072784593242,0.7143144746761703
EOS-2-19017,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)c1,ONMWFYJTQZSZCZ-UHFFFAOYSA-N,2,1,0.541,43,521,435.85,3.958,5,0.415,0.73,1.0,0.5735470495510931,0.6533393872935371,0.7876687684188883,0.8135151805907751,0.7070175964635734
EOS-2-19018,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)cn1,DTBUECKWGZUNBC-UHFFFAOYSA-N,2,1,0.42,46,332,435.85,3.958,5,0.415,0.8,1.0,0.4806044822150641,0.46614351312452884,0.7939311904598725,0.7937684188883558,0.6336119011719553
EOS-2-19019,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cc[nH]n1,NYHXUAVCDJQBLR-UHFFFAOYSA-N,2,1,0.568,37,669,435.85,3.99,5,0.405,0.64,1.0,0.9494637105064766,0.9226749366047563,0.7722140360496196,0.7892193818107053,0.8583930162428894
EOS-2-19020,Fc1cc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)ccc1-c1cc[nH]n1,QKFFLTIXZIVKAU-UHFFFAOYSA-N,2,1,0.544,37,273,435.85,3.99,5,0.405,0.59,1.0,0.9557261325474607,0.9263587142759235,0.7442001918991159,0.777516962511137,0.8509505003084092
EOS-2-19021,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cn1,RHOHPKDALVDUIN-UHFFFAOYSA-N,2,1,0.641,59,294,435.85,3.958,5,0.415,0.76,1.0,0.8312572818860942,0.770012336371736,0.8064817353162909,0.7913696799396889,0.7997802583784525
EOS-2-19022,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccn1,MNUCFSKDJYRLAG-UHFFFAOYSA-N,2,1,0.494,24,332,435.85,3.958,5,0.415,0.76,1.0,0.6662925776163389,0.5912377492975122,0.7722226029744363,0.7775255294359537,0.7018196148310603
EOS-2-19023,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,UFIBHTNTZVRFGB-UHFFFAOYSA-N,2,1,0.645,2,884,435.85,3.958,5,0.415,0.81,1.0,0.5907237338085121,0.6005414296484134,0.8642485093550819,0.8471232266465629,0.7256592248646425
EOS-2-19024,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)n1,CLVDCCXBSDAIEO-UHFFFAOYSA-N,2,1,0.488,2,109,435.85,3.958,5,0.415,0.64,1.0,0.5362295250496881,0.5958895894729628,0.8064903022411075,0.8004334863957234,0.6847607257898705
EOS-2-19025,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cc[nH]n4)nc3)n12,WRFJGUZDODDFEO-UHFFFAOYSA-N,2,1,0.516,84,672,435.85,3.99,5,0.433,0.56,1.0,0.8914056610239188,0.9188712219861559,0.7489976697964499,0.7775340963607703,0.8342021622918238
EOS-2-19026,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)c1,NOLBYBVDXSVGPD-UHFFFAOYSA-N,2,1,0.516,84,672,435.85,3.99,5,0.433,0.64,1.0,0.8914142279487355,0.917140703173189,0.7490062367212665,0.7800699061065041,0.8344077684874238
EOS-2-19027,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cc[nH]n4)nc3)n12,RVBIYAKYNAPBMN-UHFFFAOYSA-N,2,1,0.517,84,749,435.85,3.99,5,0.433,0.6,1.0,0.8950980056199027,0.9050099376327874,0.7184223151257625,0.7576759646357344,0.8190515557535467
EOS-2-19028,Cn1cc(-c2ccc(COc3cncc4nnc(-c5cc(F)cc(Cl)c5)n34)nc2)cn1,SNNYWVYNSDYJQX-UHFFFAOYSA-N,2,1,0.726,4,439,435.85,3.958,5,0.415,0.73,1.0,0.40360496196285384,0.5912463162223288,0.7939397573846891,0.7800784730313207,0.6422173771502981
EOS-2-19029,Cn1cc(-c2ccc(COc3cncc4nnc(-c5cc(F)ccc5Cl)n34)nc2)cn1,YRDKUBBMGDKVIN-UHFFFAOYSA-N,2,1,0.561,4,10,435.85,3.958,5,0.415,0.79,1.0,0.4880748406551984,0.6627972722911384,0.7918751285038722,0.7820917003632376,0.6812097354533616
EOS-2-19030,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nc2)cn1,HDERSQQEZWCNQB-UHFFFAOYSA-N,2,1,0.588,4,391,435.85,3.958,5,0.415,0.75,1.0,0.5652542663285587,0.7347166061270646,0.8255088753341101,0.8025752175998904,0.7320137413474059
EOS-2-19031,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cn1,BPLAGWUCMAUBJT-UHFFFAOYSA-N,2,1,0.556,34,32,435.85,3.958,5,0.415,0.77,1.0,0.6079432526900144,0.8442961414570626,0.7030361181550271,0.7261753820848468,0.7203627235967377
EOS-2-19032,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cn1,ZLPZZZSAJBFBAY-UHFFFAOYSA-N,2,1,0.529,4,10,435.85,3.958,5,0.415,0.75,1.0,0.5206891234322527,0.7700209032965527,0.7212494003152629,0.7261839490096635,0.6845358440134329
EOS-2-19033,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)cn1,NJWMZIZHCQDDIT-UHFFFAOYSA-N,2,1,0.494,59,877,435.85,3.958,5,0.415,0.72,1.0,0.7598690973888013,0.7070454389692276,0.6363854430813515,0.6584452744842711,0.6904363134809128
EOS-2-19034,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)cn1,HWLHFTODDWMZMU-UHFFFAOYSA-N,2,1,0.568,4,10,435.85,3.958,5,0.415,0.75,1.0,0.5567730107600576,0.787009115208005,0.7962271263107394,0.7821002672880543,0.7305273798917141
EOS-2-19035,Fc1cc(-c2cn[nH]c2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,MBWBVWJWCNYQRR-UHFFFAOYSA-N,2,1,0.505,37,141,435.85,3.99,5,0.433,0.68,1.0,0.8744602837365499,0.8957662257556027,0.7580272085532177,0.7913782468645055,0.8299079912274689
EOS-2-19036,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5Cl)n34)nc2)cn1,PJNHNRVPOXIAAO-UHFFFAOYSA-N,2,1,0.568,4,10,435.85,3.958,5,0.415,0.77,1.0,0.510545884449318,0.7070540058940443,0.7939483243095059,0.7844647385374546,0.6990032382975807
EOS-2-19037,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)cn1,AJYFFSLJFSCXIA-UHFFFAOYSA-N,2,1,0.588,4,391,435.85,3.958,5,0.415,0.76,1.0,0.5965492426838462,0.8153313686519087,0.8255174422589268,0.802583784524707,0.7599954595298473
EOS-2-19038,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)cn1,QUEPAJLERMYPLE-UHFFFAOYSA-N,2,1,0.523,16,772,435.85,3.958,5,0.415,0.77,1.0,0.6537763004591872,0.7870176821328216,0.8328507299019944,0.8216280583921596,0.7738181927215407
EOS-2-19039,CCn1nc(-c2nnc3cncc(Oc4ccc(F)nc4)n23)cc1-c1ccc(Cl)cc1,WRDMWZVJIHRIDL-UHFFFAOYSA-N,2,1,0.402,13,965,435.85,4.655,5,0.373,0.73,1.0,0.3952607771914194,0.5247412788705367,0.5782074566513604,0.6584538414090878,0.5391658385306011
EOS-2-19040,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)cc1Cl,WYJWRPZJGSUMLU-UHFFFAOYSA-N,2,1,0.671,84,360,435.85,3.99,5,0.433,0.66,1.0,0.95030326913851,0.9311047906243575,0.769832430950586,0.7844733054622712,0.8589284490439312
EOS-2-19041,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)n[nH]1,XESKCYNCTLVDKT-UHFFFAOYSA-N,2,1,0.639,84,73,435.85,3.99,5,0.433,0.66,1.0,0.8547135220341306,0.8824874922897676,0.6951716811733261,0.7474299225549996,0.794950654513056
EOS-2-19042,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2F)n1,MJCDVYQGQPKCCW-UHFFFAOYSA-N,2,1,0.518,16,55,435.85,3.958,5,0.389,0.74,1.0,0.759877664313618,0.7253529573024468,0.7962356932355562,0.7800870399561374,0.7653883387019397
EOS-2-19043,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1,ZUQDQIDQFWVHLR-UHFFFAOYSA-N,2,1,0.779,43,520,435.85,3.958,5,0.415,0.74,1.0,0.9233859913645398,0.8745459529847166,0.7791875128503872,0.7892279487355219,0.8415868514837914
EOS-2-19044,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cc[nH]n5)ccn4)n23)ccc1Cl,XVCZAANBCAYYHN-UHFFFAOYSA-N,2,1,0.563,84,308,435.85,3.99,5,0.433,0.56,1.0,0.7630388595709684,0.7206925502021794,0.7698409978754026,0.7892365156603386,0.7607022308272223
EOS-2-19045,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5Cl)n34)nc2)cn1,IHNYCYILOZSWJO-UHFFFAOYSA-N,2,1,0.535,4,10,435.85,4.052,5,0.414,0.72,1.0,0.45415838530601055,0.5912548831471455,0.7580357754780344,0.7397025563703653,0.6357879000753889
EOS-2-19046,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)cn1,QTZYSOUTGPMEIO-UHFFFAOYSA-N,2,1,0.535,4,10,435.85,4.052,5,0.414,0.61,1.0,0.49539956137344937,0.6774210129531903,0.7604773490507847,0.739711123295182,0.6682522616681515
EOS-2-19047,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2F)cn1,LUBCLDABDFAASM-UHFFFAOYSA-N,2,1,0.556,16,772,435.85,3.958,5,0.389,0.76,1.0,0.7148242067027619,0.6725207319580563,0.8363117675279281,0.8135237475155918,0.7592951134260845
EOS-2-19048,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)[nH]n4)n23)c1,LSAROOJKFBCNFM-UHFFFAOYSA-N,2,1,0.468,11,490,435.85,3.99,5,0.433,0.73,0.998,0.6600301555753547,0.642870605167569,0.6678688917826057,0.754977383318484,0.6814367589610033
EOS-2-19049,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c(F)c2)cn1,UUHWGCCLPVBHCC-UHFFFAOYSA-N,2,1,0.518,16,772,435.85,3.958,5,0.389,0.78,1.0,0.6567233225961209,0.6970906723322596,0.8294582276745939,0.8047169488040573,0.7469972928517579
EOS-2-19050,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1,QOGGSTUTVCKAQI-UHFFFAOYSA-N,2,1,0.779,43,520,435.85,3.958,5,0.415,0.74,1.0,0.9259389349599068,0.8745545199095333,0.7791960797752039,0.7867264066890549,0.8416039853334247
EOS-2-19051,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)c2)n1,KAKGCWVVYMCTCQ-UHFFFAOYSA-N,2,1,0.488,2,109,435.85,3.958,5,0.415,0.69,1.0,0.5567815776848742,0.5912634500719621,0.8046655472551573,0.804725515728874,0.6893590226852169
EOS-2-19052,CCOc1cc(Cl)c(F)cc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,UKQXDRZODMZEJC-UHFFFAOYSA-N,2,1,0.375,61,697,435.85,4.435,5,0.438,0.69,1.0,0.5030069906106504,0.5759714892742102,0.7939568912343226,0.7821088342128709,0.6637610513330134
EOS-2-19053,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1,MBRJDZCHUCXELY-UHFFFAOYSA-N,2,1,0.579,43,520,435.85,3.958,5,0.415,0.77,1.0,0.870202522102666,0.8153399355767253,0.7341426221643479,0.7656003700911521,0.7963213624837228
EOS-2-19054,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)nc1,AOGBBODHYQZTJZ-UHFFFAOYSA-N,2,1,0.608,59,294,435.85,3.958,5,0.415,0.82,1.0,0.6632513193064218,0.6336525940648345,0.791883695428689,0.780095606880954,0.7172208039202249
EOS-2-19055,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,MQLBHZRXAWDNMT-UHFFFAOYSA-N,2,1,0.535,4,10,435.85,4.052,5,0.414,0.66,1.0,0.5130217257213351,0.7022308272222603,0.7262096497841135,0.7073281474881776,0.6621975875539716
EOS-2-19056,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1,QOIRSDQSONBYDA-UHFFFAOYSA-N,2,1,0.59,43,520,435.85,3.958,5,0.415,0.79,1.0,0.8841409087793846,0.8231015694606264,0.7652234253992187,0.777542663285587,0.8125021417312042
EOS-2-19057,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4cnc(Cl)cc4F)n23)c1,ZLUILFJEEVFRDD-UHFFFAOYSA-N,2,1,0.506,16,55,435.85,3.958,5,0.389,0.66,1.0,0.6845315605510246,0.60054999657323,0.7365156603385649,0.7210180933452128,0.6856538277020081
EOS-2-19058,Cc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(F)cc5Cl)n4)n23)cc1,YYHHDFWLAMDWTP-UHFFFAOYSA-N,2,1,0.512,43,612,435.85,4.052,5,0.414,0.75,1.0,0.4979268041943664,0.6239719690219999,0.612749297512165,0.682149955451991,0.6041995065451307
EOS-2-19059,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1,KEKDCDKMSZLIPZ-UHFFFAOYSA-N,2,1,0.571,91,273,435.85,3.99,5,0.433,0.64,1.0,0.904710095264204,0.9311133575491741,0.8165907065999589,0.8415547255157289,0.8734922212322664
EOS-2-19060,Cc1cncc(Oc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)n(C)n4)n23)c1,GYWQLDFPKZCGGR-UHFFFAOYSA-N,2,1,0.409,95,956,435.85,4.48,5,0.414,0.76,0.999,0.41471626345007195,0.4618429168665616,0.7236738400383799,0.7397196902199986,0.584988177643753
EOS-2-19061,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)cn1,USXFASAVJYVPKZ-UHFFFAOYSA-N,2,1,0.524,16,577,435.85,3.958,5,0.415,0.77,1.0,0.5288876704818039,0.5865516414227949,0.8200089096018094,0.8089918442875745,0.6861100164484957
EOS-2-19062,Fn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1,QQOOSQSBAWNUHS-UHFFFAOYSA-N,2,1,0.449,11,198,435.85,4.057,5,0.4,0.67,1.0,0.49050784730313207,0.5759800561990268,0.4869954081282983,0.612312384346515,0.541448923994243
EOS-2-19063,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccn1,KGROFEIQKOZBAN-UHFFFAOYSA-N,2,1,0.512,24,910,435.85,3.958,5,0.415,0.69,1.0,0.6815759714892742,0.5865602083476116,0.8007761633883901,0.7892450825851552,0.7145393564526078
EOS-2-19064,Cn1cc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccn2)cn1,UGNBYLITHPQLSP-UHFFFAOYSA-N,2,1,0.512,16,332,435.85,3.958,5,0.415,0.78,1.0,0.5440339935576726,0.5759886231238435,0.7986858337331232,0.7961243232129395,0.6787081934068947
EOS-2-19065,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)ccn2)cn1,JDANUMJULQZGFA-UHFFFAOYSA-N,2,1,0.518,59,910,435.85,3.958,5,0.415,0.74,1.0,0.5493454869440065,0.5811887464875608,0.8238554588444932,0.8068158453841409,0.6903013844150503
EOS-2-19066,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccn1,JQGKTMFWOBKJLD-UHFFFAOYSA-N,2,1,0.512,24,624,435.85,3.958,5,0.415,0.7,1.0,0.6845401274758413,0.6005585634980467,0.7939654581591392,0.7937769858131725,0.7182102837365498
EOS-2-19067,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)cn1,HVXNCCKLXCYDJT-UHFFFAOYSA-N,2,1,0.68,59,294,435.85,3.958,5,0.415,0.79,1.0,0.6447467617024193,0.6428791720923858,0.8363203344527449,0.8176101706531423,0.7353891097251731
EOS-2-19068,Cn1c(-c2ncc(F)c(Cl)n2)ccc1-c1cncc2nnc(-c3ccc(CO)cc3)n12,VIOVEGJAFUNXOH-UHFFFAOYSA-N,2,1,0.349,74,140,435.85,3.539,5,0.434,0.7,1.0,0.372498457953533,0.417474813241039,0.6841803166335412,0.7018453156055102,0.5439997258584058
EOS-2-19069,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccn1,KEEPFWIXEXZJBP-UHFFFAOYSA-N,2,1,0.662,59,294,435.85,3.958,5,0.415,0.69,1.0,0.8027808237954903,0.6578198889726544,0.8129411966280584,0.7983345898156398,0.7679691248029608
EOS-2-19070,Cn1nc(-c2cccc(F)n2)c(COc2cncc3nnc(-c4ccccc4)n23)c1Cl,AWNGPUWNMJCKAL-UHFFFAOYSA-N,2,1,0.518,43,700,435.85,3.958,5,0.389,0.7,1.0,0.6786632170516071,0.7394284147762319,0.4047015283393873,0.5092522788020012,0.5830113597423069
EOS-2-19071,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)ccn1,NYDWOUYKRHACDR-UHFFFAOYSA-N,2,1,0.512,24,624,435.85,3.958,5,0.415,0.68,1.0,0.6632598862312384,0.5958981563977794,0.7962442601603729,0.7913868137893222,0.7116972791446783
EOS-2-19072,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)cn1,DMAWIPGWHYPQDS-UHFFFAOYSA-N,2,1,0.488,2,884,435.85,3.958,5,0.415,0.77,1.0,0.5493540538688233,0.5523096429305736,0.855424576793914,0.8395329312589953,0.6991553012130766
EOS-2-19073,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cn1,ANPUCEHOSFRNIN-UHFFFAOYSA-N,2,1,0.645,2,884,435.85,3.958,5,0.415,0.79,1.0,0.5849153587828113,0.610067850044548,0.8642570762798986,0.8488794462339798,0.7270299328353094
EOS-2-19074,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)cn1,TUUIKJFEWMLOPW-UHFFFAOYSA-N,2,1,0.476,2,884,435.85,3.958,5,0.415,0.78,1.0,0.5517699266671235,0.5428774587074224,0.834512713316428,0.8296038653964772,0.6896909910218628
EOS-2-19075,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)cn1,CUOKGTNBKYUMAC-UHFFFAOYSA-N,2,1,0.494,2,884,435.85,3.958,5,0.415,0.78,1.0,0.5105544513741347,0.5662651634569255,0.8509012404907135,0.8415632924405455,0.6923210369405798
EOS-2-19076,Cn1nccc1COc1cncc2nnc(-c3cc(-c4ccc(F)cn4)ccc3Cl)n12,ZOMSUMFPRFGNLN-UHFFFAOYSA-N,2,1,0.433,34,10,435.85,3.958,5,0.415,0.7,1.0,0.48311459118634775,0.5811973134123775,0.7055033925022274,0.7234939346172298,0.6233273079295456
EOS-2-19077,COc1cc(-c2cn(C)nn2)ccc1-c1cncc2nnc(-c3c(F)cccc3Cl)n12,AFAMTVMHCWCJKC-UHFFFAOYSA-N,2,1,0.357,45,46,435.85,4.055,5,0.423,0.72,0.996,0.24918614214241655,0.4174833801658557,0.7341511890891645,0.7370725104516482,0.5344733054622712
EOS-2-19078,CCn1ncnc1-c1cccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,YJVMZNMLPLGVKQ-UHFFFAOYSA-N,2,1,0.483,13,145,435.85,4.655,5,0.399,0.73,1.0,0.4495151120553766,0.5337622507024878,0.5909122061544788,0.6556952916181208,0.557471215132616
EOS-2-19079,Cn1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)c(F)c5)c4)n23)n1,AHBXXANSRMPGGX-UHFFFAOYSA-N,2,1,0.5,4,391,435.85,3.958,5,0.415,0.73,1.0,0.5362380919745048,0.5865687752724282,0.7490148036460832,0.74997429922555,0.6554489925296416
EOS-2-19080,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)n1,SRAFBBHCSPIUCV-UHFFFAOYSA-N,2,1,0.488,59,332,435.85,3.958,5,0.415,0.71,1.0,0.6632684531560551,0.677429579878007,0.7314269069974642,0.7397282571448153,0.7029632992940853
EOS-2-19081,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)n1,BMSVWHKLCQZXTG-UHFFFAOYSA-N,2,1,0.636,2,294,435.85,3.958,5,0.415,0.74,1.0,0.6164502090329655,0.6428877390172024,0.8220392707833596,0.8090004112123912,0.7225944075114796
EOS-2-19082,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)n1,ZZZLCHQFBSHBCA-UHFFFAOYSA-N,2,1,0.658,59,294,435.85,3.958,5,0.415,0.7,1.0,0.763047426495785,0.7657460078130355,0.7767630731272702,0.7629103556987183,0.7671167157837022
EOS-2-19083,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)n1,WDLCFNDGUMLFJP-UHFFFAOYSA-N,2,1,0.658,59,294,435.85,3.958,5,0.415,0.71,1.0,0.7540007538893838,0.7657545747378521,0.7767716400520869,0.7656089370159688,0.7655339764238229
EOS-2-19084,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cn2)n1,KYZPFXJBDFYDRG-UHFFFAOYSA-N,2,1,0.506,59,109,435.85,3.958,5,0.415,0.64,1.0,0.6693766705503392,0.7022393941470769,0.7558769104242341,0.757684531560551,0.7212943766705503
EOS-2-19085,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cn2)n1,NYLMBLNWMRRMMT-UHFFFAOYSA-N,2,1,0.506,59,910,435.85,3.958,5,0.415,0.72,1.0,0.6845486944006579,0.6921989582619423,0.762764717976835,0.7525700774450004,0.7230206120211089
EOS-2-19086,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)n5)n34)cc2)n1,NUSFOVYRSBDEPJ-UHFFFAOYSA-N,2,1,0.518,4,22,435.85,3.958,5,0.389,0.65,1.0,0.6693852374751559,0.6822955931738743,0.7262182167089302,0.7018538825303269,0.6949382324720719
EOS-2-19087,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2F)n1,WFUHTXUSJLTXCK-UHFFFAOYSA-N,2,1,0.542,16,214,435.85,3.958,5,0.389,0.74,1.0,0.7422469330409156,0.682304160098691,0.7898019326982386,0.7703635802892194,0.7461791515317662
EOS-2-19088,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cc2)n1,MMKOXOJWEPNOLI-UHFFFAOYSA-N,2,1,0.524,4,22,435.85,3.958,5,0.415,0.68,1.0,0.6107018024809814,0.6428963059420191,0.7652319923240354,0.7424011376876156,0.6903078096086629
EOS-2-19089,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)n1,URKLNKNIXRKGRC-UHFFFAOYSA-N,2,1,0.573,4,712,435.85,3.958,5,0.415,0.62,1.0,0.5652628332533753,0.6873158111164417,0.7466503323966829,0.7424097046124323,0.685409670344733
EOS-2-19090,Cn1nc(-c2ccccc2F)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,GEDCYPCWBGIRBE-UHFFFAOYSA-N,2,1,0.592,34,372,435.85,3.958,5,0.415,0.76,1.0,0.7658488109108355,0.9071431019121377,0.41523027893907205,0.5721506408059763,0.6650932081420055
EOS-2-19091,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1F,LTYIDXRLDOJURH-UHFFFAOYSA-N,2,1,0.58,4,353,435.85,3.958,5,0.415,0.61,1.0,0.6875556850113084,0.7828884243711877,0.7005174422589268,0.7044068261256939,0.7188420944417793
EOS-2-19092,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)cc1,HINDTUOBOAFWDW-UHFFFAOYSA-N,2,1,0.543,16,19,435.85,3.958,5,0.415,0.7,1.0,0.7390686039339319,0.707062572818861,0.7288996641765472,0.7129823178671784,0.7220032896991295
EOS-2-19093,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)n1,JPBZTDWHOCBBRL-UHFFFAOYSA-N,2,1,0.471,2,332,435.85,3.958,5,0.415,0.66,1.0,0.5709255705571928,0.5812058803371941,0.7836080460557878,0.7867349736138716,0.6806186176410116
EOS-2-19094,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)[nH]1,DDNRUNUFRHWIPN-UHFFFAOYSA-N,2,1,0.536,75,525,435.85,3.99,5,0.405,0.51,1.0,0.9031509149475704,0.8076297032417243,0.7416986498526489,0.762918922623535,0.8038495476663696
EOS-2-19095,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)n1,RKAVQKHCEBIHLF-UHFFFAOYSA-N,2,1,0.524,16,772,435.85,3.958,5,0.415,0.67,1.0,0.7303217736961141,0.6970992392570763,0.7858782811322048,0.7801041738057707,0.7483508669727915
EOS-2-19096,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)c1,VCEVKQCSGSMOJV-UHFFFAOYSA-N,2,1,0.429,46,1,435.85,3.958,5,0.415,0.71,1.0,0.5105630182989515,0.4834058666301145,0.7962528270851895,0.7961328901377561,0.6465886505380029
EOS-2-19097,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)cn1,DPORUBUAJUVRBR-UHFFFAOYSA-N,2,1,0.556,4,394,435.85,3.958,5,0.415,0.68,1.0,0.7057946679459941,0.8509355081899801,0.7986944006579398,0.7961414570625728,0.7878915084641217
EOS-2-19100,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)c1,AGDRXGLEOYMFMC-UHFFFAOYSA-N,2,1,0.658,59,294,435.85,3.958,5,0.415,0.76,1.0,0.8803800287848674,0.847894249880063,0.7918922623535056,0.7801127407305873,0.8250698204372559
EOS-2-19101,Fc1ccc(-c2nnc3cncc(OCCc4cnn(-c5ccccc5Cl)n4)n23)cc1,VPRZDJXTWQFREE-UHFFFAOYSA-N,2,1,0.598,34,612,435.85,3.786,5,0.403,0.75,1.0,0.7658573778356521,0.8603591254883147,0.46965595229936263,0.629566170927284,0.6813596566376533
EOS-2-19102,Cn1nccc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c1,ZVHUENFPUSUSEX-UHFFFAOYSA-N,2,1,0.477,16,55,435.85,3.958,5,0.389,0.62,1.0,0.5761770954698101,0.5292817490233706,0.787677335343705,0.7656175039407854,0.6646884209444178
EOS-2-19103,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cn2)c1,IVZJWMJDUHREQE-UHFFFAOYSA-N,2,1,0.506,59,910,435.85,3.958,5,0.415,0.77,1.0,0.8263998355150435,0.7870262490576383,0.7792046467000205,0.7679562744157358,0.7901467514221096
EOS-2-19104,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)c1,XHQQXQALCRLOLI-UHFFFAOYSA-N,2,1,0.488,59,332,435.85,3.958,5,0.415,0.76,1.0,0.7943252690014393,0.7828969912960044,0.7490233705708998,0.7549859502433006,0.770307895277911
EOS-2-19105,Cc1ccc(-c2nnc3cncc(OCc4ccnn4-c4cncc(F)c4)n23)cc1Cl,HOXUTWVHNMEFKU-UHFFFAOYSA-N,2,1,0.462,16,772,435.85,4.052,5,0.414,0.69,1.0,0.4169436639024056,0.5247498457953533,0.7341597560139812,0.7499828661503667,0.6064590329655267
EOS-2-19106,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)c1,AONKIWUOYGAOHN-UHFFFAOYSA-N,2,1,0.658,59,294,435.85,3.958,5,0.415,0.77,1.0,0.8841494757042012,0.8509440751147967,0.7919008292783223,0.7775512302104036,0.8261364025769309
EOS-2-19107,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)c1,WWHHUMFLXQCLKN-UHFFFAOYSA-N,2,1,0.411,46,332,435.85,3.958,5,0.415,0.78,1.0,0.5206976903570695,0.47933657734219726,0.772231169899253,0.7821174011376876,0.6385957096840518
EOS-2-19108,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1nc[nH]n1,LNQFIYAQPVQRNO-UHFFFAOYSA-N,2,1,0.679,88,70,435.85,3.99,5,0.433,0.65,1.0,0.9404513055993421,0.9358594338976081,0.7466588993214995,0.7983431567404564,0.8553281988897266
EOS-2-19109,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cn2)c1,IDDIGSXSLQHTDJ-UHFFFAOYSA-N,2,1,0.506,59,109,435.85,3.958,5,0.415,0.7,1.0,0.8054108697142074,0.7994482900418066,0.7722397368240697,0.7726852169145364,0.7874460283736551
EOS-2-19110,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,RZVATQZBVPAOHG-UHFFFAOYSA-N,2,1,0.61,91,803,435.85,3.99,5,0.433,0.64,1.0,0.952496401891577,0.9226835035295731,0.7490319374957165,0.7775597971352204,0.8504429100130217
EOS-2-19111,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccc2F)cn1,VWMLAITVVXOYAG-UHFFFAOYSA-N,2,1,0.542,16,394,435.85,3.958,5,0.389,0.65,1.0,0.7179340004112124,0.7484065519840998,0.8457782194503461,0.8273935987937769,0.7848780926598589
EOS-2-19112,COc1c(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)cnc(F)c1Cl,QWRFZEHKSHBSEG-UHFFFAOYSA-N,2,1,0.397,96,856,435.85,4.055,5,0.396,0.68,1.0,0.41029573024467136,0.4033650880679871,0.6978702624905764,0.6443526831608526,0.5389709409910219
EOS-2-19113,Cn1nc(-c2cccnc2F)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,YSPGYPBXNDUFNK-UHFFFAOYSA-N,2,1,0.542,34,32,435.85,3.958,5,0.389,0.77,1.0,0.6693938043999725,0.8479028168048797,0.6485676101706531,0.6850798437392913,0.7127360187786992
EOS-2-19114,Cn1nc(-c2ccc(F)nc2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,XPHGAPJSXGVURO-UHFFFAOYSA-N,2,1,0.568,34,32,435.85,3.958,5,0.389,0.77,1.0,0.7242306901514632,0.8632890137756151,0.689705983140292,0.7156380645603454,0.7482159379069289
EOS-2-19115,Cn1ncc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1-c1ccc(F)cc1,CGXHFSQGTKRGHA-UHFFFAOYSA-N,2,1,0.554,16,55,435.85,3.958,5,0.389,0.75,1.0,0.5413953807141388,0.5662737303817422,0.705511959427044,0.752578644369817,0.6414399287231856
EOS-2-19116,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)nn2C)cn1,UPIISHTZKAQLBU-UHFFFAOYSA-N,2,1,0.529,95,956,435.85,4.48,5,0.414,0.77,1.0,0.41242889452402165,0.4572510451648276,0.7212579672400795,0.7261925159344802,0.5792826057158522
EOS-2-19117,Cn1nc(-c2cncc(F)c2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,GZDRQEFSEYVXAS-UHFFFAOYSA-N,2,1,0.549,34,32,435.85,3.958,5,0.415,0.78,1.0,0.7332345281337811,0.8571208279076142,0.6816873415118909,0.7262010828592969,0.7495609451031457
EOS-2-19118,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)nc1,IANWXVSQQJTNDR-UHFFFAOYSA-N,2,1,0.416,13,251,435.85,4.48,5,0.414,0.78,1.0,0.38177643752998425,0.4747104379411966,0.7156808991844288,0.7044153930505106,0.5691457919265301
EOS-2-19119,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cc[nH]n1,JNGYELMYASKQKF-UHFFFAOYSA-N,2,1,0.527,37,141,435.85,3.99,5,0.433,0.63,1.0,0.9247824001096566,0.9071516688369543,0.7184308820505791,0.7576930984853677,0.8270145123706395
EOS-2-19120,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)ccn2)c1,PKLBPBCGQKTFTC-UHFFFAOYSA-N,2,1,0.518,24,276,435.85,3.958,5,0.415,0.78,1.0,0.7482951819614831,0.7162805839215955,0.7792132136248372,0.7821259680625042,0.756478736892605
EOS-2-19121,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(-n4ccnc4)cn3)n12,IGXNVQPWKYWSFB-UHFFFAOYSA-N,2,1,0.581,37,563,435.85,3.786,5,0.403,0.71,1.0,0.7360787471729148,0.7914039476389555,0.7184394489753958,0.7397368240696319,0.7464147419642244
EOS-2-19122,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)c1,FQISOLYPPQYQAH-UHFFFAOYSA-N,2,1,0.671,59,294,435.85,3.958,5,0.415,0.75,1.0,0.8614899595641149,0.7611198684120348,0.7987029675827565,0.7844818723870879,0.8014486669864985
EOS-2-19123,Clc1ccc(CCOc2cncc3nnc(-c4cc(Cl)cc(Br)c4)n23)cc1,MZHVBXFHLFGLFG-UHFFFAOYSA-N,2,1,0.873,23,370,464.15,5.482,4,0.393,0.82,1.0,0.9286546501267905,0.979550750462614,0.9429871153450757,0.9692961414570626,0.9551221643478857
EOS-2-19124,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1F,MAYHAYKQBGWJKS-UHFFFAOYSA-N,2,1,0.549,16,353,435.85,3.958,5,0.389,0.72,1.0,0.8764478102940169,0.7914125145637722,0.7490405044205332,0.7343567952847646,0.7878144061407717
EOS-2-19125,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c1,FERMBEAYMIDKJV-UHFFFAOYSA-N,2,1,0.542,43,630,435.85,3.958,5,0.415,0.7,1.0,0.5681070522925091,0.6196799396888493,0.7365242272633815,0.7525872112946337,0.6692246076348434
EOS-2-19126,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)ccn2)cn1,WHYSAPUZYYCOIE-UHFFFAOYSA-N,2,1,0.58,16,391,435.85,3.958,5,0.415,0.75,1.0,0.7087845247070111,0.7657631416626688,0.8274792680419437,0.8068244123089576,0.7772128366801454
EOS-2-19127,CCn1cncc1-c1cncc(-c2nnc3cncc(Oc4cccc(Cl)c4F)n23)c1,JAKBKPYIODPDHO-UHFFFAOYSA-N,2,1,0.411,13,995,435.85,4.655,5,0.399,0.65,1.0,0.5337536837776712,0.5959067233225961,0.7814577479268042,0.77516962511137,0.6715719450346103
EOS-2-19128,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccc2F)cn1,RHDHXCKTBBAKAP-UHFFFAOYSA-N,2,1,0.523,4,394,435.85,3.958,5,0.389,0.69,1.0,0.5440425604824892,0.6533479542183538,0.7792217805496539,0.7751781920361867,0.6879476218216709
EOS-2-19129,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1,JMTKROPHHQMZCO-UHFFFAOYSA-N,2,1,0.529,16,55,435.85,3.958,5,0.389,0.68,1.0,0.8524689877321636,0.667680419436639,0.8148430539373587,0.780121307655404,0.7787784421903914
EOS-2-19130,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cc2)n1,RRLDOGJKHKTHAY-UHFFFAOYSA-N,2,1,0.59,43,178,435.85,3.958,5,0.415,0.7,1.0,0.7970752518675897,0.787034815982455,0.7515420464670002,0.7549945171681174,0.7726616578712906
EOS-2-19131,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1F,BCMKDWMDMUHYFY-UHFFFAOYSA-N,2,1,0.541,16,55,435.85,3.958,5,0.389,0.72,1.0,0.8335960523610445,0.7022479610718936,0.8220478377081762,0.8004420533205401,0.7895834761154137
EOS-2-19132,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)n1,DGKUAKZMJYYFFH-UHFFFAOYSA-N,2,1,0.768,43,96,435.85,3.958,5,0.415,0.73,1.0,0.8567181824412309,0.8340843670755945,0.7722483037488863,0.7602803097800014,0.8058327907614283
EOS-2-19133,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)n1,DOKNEFLLLHHPCQ-UHFFFAOYSA-N,2,1,0.524,24,109,435.85,3.958,5,0.415,0.65,1.0,0.6135460215201152,0.6005671304228634,0.765240559248852,0.7629274895483518,0.6855703001850455
EOS-2-19134,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cccc(-c4c[nH]nn4)c3)n12,YNWUMNULZXHPBP-UHFFFAOYSA-N,2,1,0.552,91,803,435.85,3.99,5,0.433,0.59,1.0,0.8336046192858612,0.8690374203275992,0.7792303474744706,0.819580563360976,0.8253632376122267
EOS-2-19135,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccnc(-c5cc[nH]n5)c4)n23)c1,SAQRWQGIOYMICM-UHFFFAOYSA-N,2,1,0.576,84,524,435.85,3.99,5,0.433,0.56,1.0,0.8288842437118772,0.8269224179288602,0.7466674662463162,0.772693783839353,0.7937919779316016
EOS-2-19136,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cc2)n1,HAGRVUHGLXHZAH-UHFFFAOYSA-N,2,1,0.582,43,178,435.85,3.958,5,0.415,0.71,1.0,0.8288928106366938,0.7741844287574532,0.7558854773490508,0.7499914330751833,0.7772385374545953
EOS-2-19137,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccccc5Cl)n34)ncc2F)cn1,FGMLGMZMDZDYNS-UHFFFAOYSA-N,2,1,0.536,4,10,435.85,3.958,5,0.415,0.67,1.0,0.4351740799122747,0.5959152902474127,0.7627732849016517,0.7727023507641697,0.6416412514563772
EOS-2-19138,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)nc2)cn1,UBFDJISCVRPEFF-UHFFFAOYSA-N,2,1,0.455,46,109,435.85,3.958,5,0.415,0.79,1.0,0.5414039476389555,0.5570043177301076,0.8129497635528751,0.8068329792337743,0.6795477520389281
EOS-2-19139,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1F,IZBXLGSIGNTTRZ-UHFFFAOYSA-N,2,1,0.518,16,772,435.85,3.958,5,0.415,0.64,1.0,0.8432852443286958,0.7207011171269961,0.820017476526626,0.8090089781372078,0.7982532040298815
EOS-2-19140,Cc1cc(-c2nnc3cncc(OCc4cc(F)ccc4-n4ccnn4)n23)ccc1Cl,KYRSRXMSZPSMKC-UHFFFAOYSA-N,2,1,0.566,43,772,435.85,4.052,5,0.414,0.75,1.0,0.5154718662189021,0.6676889863614557,0.8129583304776917,0.82548317455966,0.7054005894044274
EOS-2-19141,Cn1ncnc1-c1cc(F)cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,VYLLBXPGCSEUJL-UHFFFAOYSA-N,2,1,0.667,43,32,435.85,3.958,5,0.415,0.76,1.0,0.8878503872250018,0.8824960592145843,0.7314354739222808,0.770372147214036,0.8180385168939758
EOS-2-19142,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1F,JDLADXGYVWBFGR-UHFFFAOYSA-N,2,1,0.512,16,55,435.85,3.958,5,0.389,0.63,1.0,0.8501302172572134,0.7394369817010485,0.8274878349667604,0.8090175450620245,0.8065181447467618
EOS-2-19143,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccncc4F)n23)cc1Cl,NFBQPIBOZKXDHK-UHFFFAOYSA-N,2,1,0.506,16,772,435.85,3.958,5,0.415,0.73,1.0,0.79995373860599,0.7116030429716949,0.837836680145295,0.8254917414844767,0.7937213008018642
EOS-2-19144,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c(F)c1,AFDHEDMKPDIGIY-UHFFFAOYSA-N,2,1,0.477,16,55,435.85,3.958,5,0.389,0.67,1.0,0.7859639503803715,0.7347251730518813,0.8181755876910424,0.8004506202453567,0.7848288328421631
EOS-2-19145,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2)n1,AQGKJBBRXOFDNM-UHFFFAOYSA-N,2,1,0.59,43,178,435.85,3.958,5,0.415,0.72,1.0,0.7970838187924063,0.7784336234665205,0.7537351792200672,0.7525957782194503,0.770462099924611
EOS-2-19146,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nc2)cn1,NVXKYBWSIDNENQ-UHFFFAOYSA-N,2,1,0.595,59,294,435.85,3.958,5,0.415,0.86,1.0,0.6302172572133506,0.6005756973476801,0.8294667945994106,0.8135323144404085,0.7184480159002125
EOS-2-19147,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1-c1ccccn1,LGOKMBLVXXKOOB-UHFFFAOYSA-N,2,1,0.561,95,294,435.85,3.958,5,0.415,0.76,1.0,0.5337622507024878,0.52475841272017,0.6572544719347543,0.6990010965663765,0.6036940579809472
EOS-2-19148,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2F)cn1,MVXBGOKXQGSNJJ-UHFFFAOYSA-N,2,1,0.53,16,55,435.85,3.958,5,0.389,0.69,1.0,0.7360873140977314,0.7207096840518128,0.8409807415530122,0.8216366253169762,0.7798535912548831
EOS-2-19149,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccnc4Cl)n23)cc1,KLCBMSWRPOLKTB-UHFFFAOYSA-N,2,1,0.506,16,55,435.85,3.958,5,0.389,0.65,1.0,0.8702110890274827,0.7070711397436776,0.7836166129806045,0.7703807141388527,0.7828198889726544
EOS-2-19150,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(F)c1,UYACUMYYYWLNQU-UHFFFAOYSA-N,2,1,0.483,16,772,435.85,3.958,5,0.415,0.7,1.0,0.805419436639024,0.7207182509766294,0.8086748680693578,0.8025923514495237,0.7843512267836337
EOS-2-19151,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c(Cl)c1,JKECESWROYGIQB-UHFFFAOYSA-N,2,1,0.506,16,55,435.85,3.958,5,0.389,0.73,1.0,0.6964224521965595,0.692207525186759,0.8129668974025084,0.7937855527379891,0.7488456068809541
EOS-2-19152,Cn1ccc(-c2cccnc2-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)n1,PCSLOUKFDLGWIF-UHFFFAOYSA-N,2,1,0.444,59,109,435.85,3.958,5,0.415,0.68,1.0,0.4495236789801933,0.4975584264272497,0.6816959084367076,0.712990884791995,0.5854422246590364
EOS-2-19153,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)c1,UCVMRWDYMSBHST-UHFFFAOYSA-N,2,1,0.429,46,1,435.85,3.958,5,0.415,0.75,1.0,0.5180590775135357,0.49756699335206633,0.7939740250839559,0.8004591871701734,0.6525148207799327
EOS-2-19154,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c1,UNDBYLZMQWYWEP-UHFFFAOYSA-N,2,1,0.424,46,910,435.85,3.958,5,0.415,0.74,0.996,0.5440511274073059,0.4793451442670139,0.8007847303132067,0.7937941196628059,0.6544937804125831
EOS-2-19155,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,MUWMUPKHUDTKFU-UHFFFAOYSA-N,2,1,0.703,43,11,435.85,3.958,5,0.415,0.75,1.0,0.6600387225001714,0.662805839215955,0.7537437461448838,0.7629360564731684,0.7098810910835447
EOS-2-19156,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1F,DBEVKZGVSHPQKK-UHFFFAOYSA-N,2,1,0.53,16,353,435.85,3.958,5,0.415,0.66,1.0,0.8744688506613666,0.807638270166541,0.7442087588239326,0.7447227743129327,0.7927596634911932
EOS-2-19157,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,IHYVADAZYJZKOR-UHFFFAOYSA-N,2,1,0.593,91,273,435.85,3.99,5,0.433,0.7,1.0,0.9532074566513604,0.9343944897539579,0.7767802069769035,0.7983517236652731,0.8656834692618738
EOS-2-19158,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)nc1,JHPBTPBZJWXGTA-UHFFFAOYSA-N,2,1,0.427,46,332,435.85,3.958,5,0.415,0.8,1.0,0.644755328627236,0.6052018367486807,0.7698495648002193,0.777568364060037,0.6993437735590433
EOS-2-19159,Cn1ncc(-c2nnc3cncc(OCc4cccnc4F)n23)c1-c1ccc(Cl)cc1,PMHWUBFASCEYNI-UHFFFAOYSA-N,2,1,0.554,16,772,435.85,3.958,5,0.389,0.77,1.0,0.5567901446096909,0.6005842642724968,0.6763844150503735,0.7235025015420464,0.6393153313686519
EOS-2-19160,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccc(F)cc1,JESDTHDPOFLRAY-UHFFFAOYSA-N,2,1,0.506,95,965,435.85,3.958,5,0.415,0.73,1.0,0.4954081282982661,0.4926067438832157,0.6870588033719416,0.7447313412377493,0.6049512541977932
EOS-2-19161,Cn1nc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cc1-c1ccc(Cl)cc1,UDQLJCQLEPPVLI-UHFFFAOYSA-N,2,1,0.494,95,965,435.85,3.958,5,0.415,0.77,0.999,0.4015146323075869,0.5155232677678021,0.6458347611541361,0.7129994517168118,0.5689680282365842
EOS-2-19162,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)nc1,VFXAHYKJPYEJEQ-UHFFFAOYSA-N,2,1,0.58,46,294,435.85,3.958,5,0.415,0.78,1.0,0.7773798917140703,0.6628144061407717,0.8109279692961414,0.7983602905900897,0.7623706394352683
EOS-2-19163,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,MBXLTICEOORBRM-UHFFFAOYSA-N,2,1,0.407,61,252,435.85,4.055,5,0.423,0.71,1.0,0.3657391542731821,0.5912720169967788,0.7289082311013638,0.7343653622095813,0.6050711911452266
EOS-2-19164,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)c(Cl)c1,ADZHESMPLSMGJM-UHFFFAOYSA-N,2,1,0.534,84,672,435.85,3.99,5,0.433,0.7,1.0,0.8132239051470084,0.8879274895483518,0.8026694537728737,0.8195891302857926,0.8308524946885066
EOS-2-19165,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)cn1,ZIPIVBLSRKZHIL-UHFFFAOYSA-N,2,1,0.593,4,394,435.85,3.958,5,0.415,0.68,1.0,0.5154804331437187,0.6481820985539031,0.8026780206976903,0.80046775409499,0.6917020766225757
EOS-2-19166,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1-c1cccnc1,QTHNCFZZFQZRMI-UHFFFAOYSA-N,2,1,0.6,95,998,435.85,3.958,5,0.415,0.82,1.0,0.5261976560893702,0.510700089096018,0.7341683229387979,0.760288876704818,0.6328387362072511
EOS-2-19167,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)cn1,XQESHTSHOIOWSS-UHFFFAOYSA-N,2,1,0.658,59,294,435.85,3.958,5,0.415,0.78,1.0,0.6694023713247893,0.7440117195531492,0.8294753615242273,0.8090261119868412,0.7629788910972517
EOS-2-19168,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cn4)n23)ccc1Cl,NZGCGNATWXYZTC-UHFFFAOYSA-N,2,1,0.581,84,308,435.85,3.99,5,0.433,0.67,0.999,0.8951065725447194,0.8658762250702488,0.7676564320471524,0.7844904393119047,0.8282824172435063
EOS-2-19169,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,YNZOTNLAAXELRN-UHFFFAOYSA-N,2,1,0.619,91,273,435.85,3.99,5,0.433,0.67,1.0,0.9599838941813447,0.9226920704543897,0.7836251799054211,0.7913953807141388,0.8644241313138236
EOS-2-19170,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)n1,CCJDHNCIBLQPJD-UHFFFAOYSA-N,2,1,0.561,4,10,435.85,3.958,5,0.415,0.61,1.0,0.5567987115345076,0.7951476937838393,0.7365327941881982,0.7316239462682476,0.7050257864436982
EOS-2-19171,Cn1nncc1COc1cncc2nnc(-c3ccc(Cl)cc3-c3ccc(F)cc3)n12,XNADPBGOWFJVDI-UHFFFAOYSA-N,2,1,0.512,34,372,435.85,3.958,5,0.415,0.71,1.0,0.5288962374066205,0.7870433829072716,0.6789287917209239,0.7703892810636694,0.6913144232746213
EOS-2-19172,Cn1nc(-c2nnc3cncc(OCc4ncccc4F)n23)cc1-c1ccc(Cl)cc1,BIRHNVDGFBATLF-UHFFFAOYSA-N,2,1,0.477,95,965,435.85,3.958,5,0.415,0.76,0.877,0.410304297169488,0.5020817627304502,0.6038225618531972,0.6790744294428072,0.5488207627989856
EOS-2-19173,Cn1ccnc1COc1cncc2nnc(-c3ccc(Cl)c(-c4ccc(F)nc4)c3)n12,AKLVMFNCAPBTLT-UHFFFAOYSA-N,2,1,0.494,16,253,435.85,3.958,5,0.389,0.74,1.0,0.7598862312384347,0.8509526420396134,0.7262267836337468,0.737081077376465,0.7685366835720651
EOS-2-19174,Cn1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)cc1-c1ccc(Cl)cc1,QPKFDOWSVIXUPN-UHFFFAOYSA-N,2,1,0.5,95,965,435.85,3.958,5,0.415,0.74,1.0,0.40800836131862106,0.5337708176273045,0.6427421012953191,0.7018624494551435,0.571595932424097
EOS-2-19175,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cc[nH]n1,ZGBQDXRIVWMUEY-UHFFFAOYSA-N,2,1,0.495,11,639,435.85,3.99,5,0.405,0.62,1.0,0.9152902474127887,0.882504626139401,0.6897145500651086,0.7316325131930642,0.8047854842025907
EOS-2-19176,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2Cl)cn1,JLQYOIPGHICDEN-UHFFFAOYSA-N,2,1,0.548,4,554,435.85,3.958,5,0.389,0.72,1.0,0.5595315605510246,0.6383215680899185,0.7767887739017202,0.7679648413405524,0.685651685970804
EOS-2-19177,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)n1,QNXPESGQZWTALP-UHFFFAOYSA-N,2,1,0.556,34,32,435.85,3.958,5,0.415,0.67,1.0,0.7242392570762799,0.8718302378178329,0.7390257693098485,0.752604345144267,0.7719249023370571
EOS-2-19178,Cc1ccc(-c2nnc3cncc(OCc4ncnn4-c4ccc(Cl)cc4)n23)c(F)c1,KYHCSECWHZZZPM-UHFFFAOYSA-N,2,1,0.494,34,612,435.85,4.052,5,0.414,0.72,1.0,0.47832568021383043,0.6239805359468166,0.6188403810568158,0.6962596806250428,0.6043515694606264
EOS-2-19179,CCn1cncc1-c1ccnc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,FEAPUKHTROMCCZ-UHFFFAOYSA-N,2,1,0.385,13,110,435.85,4.655,5,0.399,0.65,1.0,0.48061304913988073,0.48341443355493113,0.7262353505585635,0.7343739291343979,0.6061591905969433
EOS-2-19180,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)c1,HVTXFSSFAWUXPT-UHFFFAOYSA-N,2,1,0.5,2,422,435.85,3.958,5,0.415,0.73,1.0,0.6360084983894181,0.614993831814132,0.7604859159756014,0.7679734082653691,0.6948654136111302
EOS-2-19181,Cn1nc(-c2nnc3cncc(OCc4ccncc4)n23)cc1-c1ccc(F)c(Cl)c1,VMLXQVBHWJGOJE-UHFFFAOYSA-N,2,1,0.5,95,998,435.85,3.958,5,0.415,0.81,1.0,0.4831231581111644,0.4747190048660133,0.7417072167774655,0.7656260708656021,0.6162938626550614
EOS-2-19182,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)nc2)n1,UJPPPFXRFIACRI-UHFFFAOYSA-N,2,1,0.556,4,877,435.85,3.958,5,0.415,0.67,1.0,0.5154890000685354,0.672529298882873,0.6951802480981427,0.7018710163799603,0.6462673908573778
EOS-2-19183,Cn1nc(-c2nnc3cncc(OCc4ccncc4F)n23)cc1-c1ccc(Cl)cc1,CGMROWZDBDVRTF-UHFFFAOYSA-N,2,1,0.494,95,965,435.85,3.958,5,0.415,0.76,0.999,0.49541669522308274,0.5292903159481872,0.7131193886642451,0.7602974436296347,0.6245309608662875
EOS-2-19184,CCn1cc(-c2cccc(-c3nnc4cncc(Oc5cc(F)cnc5Cl)n34)c2)cn1,BQQJZZNWEDGJPT-UHFFFAOYSA-N,2,1,0.43,13,374,435.85,4.655,5,0.373,0.68,1.0,0.4680967719827291,0.5570128846549243,0.7104807758207115,0.6990096634911932,0.6086500239873895
EOS-2-19185,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)ccc1Cl,ZXKGXGUSFUMJKC-UHFFFAOYSA-N,2,1,0.757,91,781,435.85,3.99,5,0.433,0.7,1.0,0.9686022205469125,0.9188797889109726,0.7987115345075732,0.8004763210198067,0.8716674662463162
EOS-2-19186,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)n1,HYIPMBUSVOBKEH-UHFFFAOYSA-N,2,1,0.768,43,96,435.85,3.958,5,0.415,0.74,1.0,0.8547220889589473,0.8340929340004112,0.772256870673703,0.7629446233979851,0.8060041292577615
EOS-2-19187,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccncc4F)n23)c(Cl)c1,UBLUQMPVYIVENK-UHFFFAOYSA-N,2,1,0.494,16,772,435.85,3.958,5,0.415,0.7,1.0,0.6567318895209375,0.6823127270235076,0.8109365362209581,0.8004848879446234,0.7376165101775067
EOS-2-19188,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cn1,GQIOTSLOGVJZFO-UHFFFAOYSA-N,2,1,0.658,59,294,435.85,3.958,5,0.415,0.79,1.0,0.6786717839764238,0.7394455486258653,0.829483928449044,0.8090346789116579,0.7641589849907477
EOS-2-19189,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)cn1,MWKMTHVIFAGEAK-UHFFFAOYSA-N,2,1,0.588,4,394,435.85,3.958,5,0.415,0.71,1.0,0.5311065040093208,0.6774381468028237,0.7987201014323898,0.7892536495099719,0.6991296004386266
EOS-2-19190,Cn1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)n1,OSBYFNUATFFMSE-UHFFFAOYSA-N,2,1,0.535,16,772,435.85,3.958,5,0.415,0.68,1.0,0.6218559385922829,0.7994568569666233,0.7814663148516209,0.7751867589610033,0.7444914673428826
EOS-2-19191,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1,WLJLHTUJXRJGKC-UHFFFAOYSA-N,2,1,0.649,43,520,435.85,3.958,5,0.415,0.74,1.0,0.9139452402165719,0.9227006373792064,0.7744157357275032,0.7892622164347886,0.8500809574395175
EOS-2-19192,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)nn1,FAWSHZYNCCIOKC-UHFFFAOYSA-N,2,1,0.736,43,96,435.85,3.958,5,0.415,0.75,1.0,0.794333835926256,0.8076468370913576,0.8109451031457748,0.8090432458364746,0.8054922554999657
EOS-2-19193,Fc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cc[nH]n1,WSTLYMKAAKGAQX-UHFFFAOYSA-N,2,1,0.522,37,490,435.85,3.99,5,0.433,0.61,1.0,0.9165838530601056,0.9025255294359537,0.7236824069631965,0.7703978479884861,0.8282974093619355
EOS-2-19194,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cc1,BBITTYPJYADYDY-UHFFFAOYSA-N,2,1,0.588,43,178,435.85,3.958,5,0.415,0.69,1.0,0.7058032348708108,0.7440202864779659,0.802686587622507,0.8157083133438421,0.7670546055787815
EOS-2-19195,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)ccc1Cl,OZAKGERAXCBQSE-UHFFFAOYSA-N,2,1,0.671,84,360,435.85,3.99,5,0.433,0.73,1.0,0.9179802618052224,0.905018504557604,0.8220564046329929,0.8235641834007265,0.8671548385991364
EOS-2-19196,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)cn1,RTBFEWXOCWFHBB-UHFFFAOYSA-N,2,1,0.488,13,110,435.85,4.655,5,0.399,0.7,1.0,0.40152319923240354,0.520140840243986,0.7236909738880132,0.7287711603042971,0.593531543417175
EOS-2-19197,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1,GUYYMAGUNWELLX-UHFFFAOYSA-N,2,1,0.746,43,96,435.85,3.958,5,0.415,0.7,1.0,0.7886967993968885,0.8190579809471592,0.8200260434514427,0.8216451922417929,0.8123565040093208
EOS-2-19198,Cn1cnc(-c2ccc(F)nc2)c1COc1cncc2nnc(-c3ccccc3Cl)n12,NQIDANUPHUBPFR-UHFFFAOYSA-N,2,1,0.506,4,10,435.85,3.958,5,0.389,0.71,1.0,0.5818226989239943,0.7022565279967103,0.6038311287780138,0.6614865327941882,0.6373492221232266
EOS-2-19199,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1Cl,ALJFZBQQUMZZKV-UHFFFAOYSA-N,2,1,0.757,91,781,435.85,3.99,5,0.433,0.67,1.0,0.9681567404564457,0.9208073469947228,0.7987286683572065,0.8026009183743403,0.8725734185456788
EOS-2-19200,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)ccn2)cn1,XEOCWEFQTJQCFB-UHFFFAOYSA-N,2,1,0.488,13,110,435.85,4.655,5,0.399,0.71,1.0,0.3973254060722363,0.5107086560208347,0.7212665341648962,0.7316410801178809,0.590235419093962
EOS-2-19201,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)nc1,MWSLVJWIQGJNNI-UHFFFAOYSA-N,2,1,0.444,46,1,435.85,3.958,5,0.415,0.73,1.0,0.6567404564457542,0.6150023987389487,0.7939825920087725,0.7892707833596052,0.7137490576382701
EOS-2-19202,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1F,MHBAFBFUIAEXKW-UHFFFAOYSA-N,2,1,0.529,16,772,435.85,3.958,5,0.415,0.64,1.0,0.8211568775272429,0.734733739976698,0.8220649715578096,0.8157168802686587,0.7984181173326024
EOS-2-19203,Cn1nc(-c2ccc(Cl)cc2)cc1-c1nnc2cncc(OCc3cncc(F)c3)n12,OVHJCDIDIVUVEJ-UHFFFAOYSA-N,2,1,0.506,95,965,435.85,3.958,5,0.415,0.71,1.0,0.48564183400726474,0.5201494071688026,0.6734887944623398,0.7343824960592146,0.6034156329244055
EOS-2-19204,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cn[nH]c1,YKUZZRHXPVUBHY-UHFFFAOYSA-N,2,1,0.545,35,619,435.85,3.99,5,0.433,0.71,1.0,0.9272154067575903,0.9050270714824207,0.8165992735247756,0.839541498183812,0.8720958124871496
EOS-2-19205,Cn1cnc(-c2ccc(F)nc2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,PRMVLOAHVZKSTA-UHFFFAOYSA-N,2,1,0.554,4,32,435.85,3.958,5,0.389,0.72,1.0,0.8361832636556782,0.8632975807004317,0.6458433280789527,0.6905626756219587,0.7589717120142553
EOS-2-19206,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1-c1ccc(F)cc1,SPAOUQQRPTXKOX-UHFFFAOYSA-N,2,1,0.524,95,965,435.85,3.958,5,0.389,0.76,1.0,0.5030155575354671,0.497575560276883,0.6926101706531423,0.7316496470426975,0.6062127338770475
EOS-2-19207,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cn2)cn1,DPYNOGUKOVSMDT-UHFFFAOYSA-N,2,1,0.5,59,910,435.85,3.958,5,0.415,0.77,1.0,0.6302258241381674,0.6725378658076897,0.8166078404495922,0.80049345486944,0.7299662463162224
EOS-2-19208,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnoc5)cc4)n23)cc1Cl,LZUNQCJDVGDRJN-UHFFFAOYSA-N,2,1,0.8,91,883,435.846,4.86,5,0.379,0.74,1.0,0.9648584744020287,0.907160235761771,0.9166181207593722,0.917757521759989,0.9265985881707901
EOS-2-19209,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cccc(-c4ncco4)c3)n12,MHFSIZAWEBQRLF-UHFFFAOYSA-N,2,1,0.588,91,732,435.846,4.86,5,0.379,0.79,1.0,0.9208587485436228,0.8603676924131314,0.8539596326502639,0.8624323212939483,0.8744045987252417
EOS-2-19210,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,WKLIHUWQANMCPS-UHFFFAOYSA-N,2,1,0.675,91,883,435.846,4.86,5,0.379,0.74,1.0,0.9713864711123296,0.9453858542937427,0.8994157357275032,0.8970512644781029,0.9283098314029196
EOS-2-19211,Cc1onc(-c2ccc(F)c(Cl)c2)c1COc1cncc2nnc(-c3ccccc3)n12,GWTPGQSBRUVRGC-UHFFFAOYSA-N,2,1,0.575,1,709,435.846,5.126,5,0.381,0.77,1.0,0.9139538071413885,0.8408950723048455,0.7558940442738674,0.7961500239873894,0.8267232369268727
EOS-2-19212,Cc1onc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,CVURMGYTRWGYBG-UHFFFAOYSA-N,2,1,0.658,57,798,435.846,5.126,5,0.381,0.8,1.0,0.9648670413268453,0.9415393050510589,0.7744243026523199,0.829612432321294,0.8776107703378795
EOS-2-19213,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnoc5)cc4)n23)c1,YKFFQGQWSGYNDH-UHFFFAOYSA-N,2,1,0.641,91,883,435.846,4.86,5,0.379,0.71,1.0,0.9443492563909259,0.9131827839078884,0.9071859365362209,0.9156157905558221,0.9200834418477143
EOS-2-19214,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)co2)cc1,VTBXAIMAOQSJDJ-UHFFFAOYSA-N,2,1,0.598,11,669,435.846,4.86,5,0.354,0.68,1.0,0.7859725173051881,0.7784421903913371,0.8628863683092317,0.8776471797683504,0.8262370639435268
EOS-2-19215,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(F)cc3)n12,RHFYWQBRZVUSFT-UHFFFAOYSA-N,2,1,0.658,57,798,435.846,5.126,5,0.381,0.79,1.0,0.961860050716195,0.9344030566787745,0.7744328695771366,0.8274021657185937,0.874524535672675
EOS-2-19216,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1Cl,ZWEPWICMCBQLSU-UHFFFAOYSA-N,2,1,0.8,91,883,435.846,4.86,5,0.379,0.8,1.0,0.9826262764717977,0.9517596463573436,0.9071945034610376,0.903159481872387,0.9361849770406414
EOS-2-19217,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)cc2F)o1,AQHZEZREYPQCIA-UHFFFAOYSA-N,2,1,0.649,57,326,435.846,5.126,5,0.381,0.78,1.0,0.9724402028647796,0.9208159139195394,0.8994243026523199,0.8888355835789186,0.9203790007538895
EOS-2-19218,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,OBMMKVBLEQSCCX-UHFFFAOYSA-N,2,1,0.469,36,602,435.839,1.442,5,0.385,0.72,1.0,0.4733140291960798,0.5759971900486601,0.020774792680419436,0.03597251730518813,0.2765146323075869
EOS-2-19219,Cn1nnnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccn1,QWQWCEIWQCEIER-UHFFFAOYSA-N,2,1,0.468,20,279,435.839,1.442,5,0.385,0.67,1.0,0.41031286409430473,0.44416078404495923,0.02154581591391954,0.03811424850935508,0.22853342814063465
EOS-2-19220,COc1ccc(-c2nnc3cncc(OCc4ccc(-n5cncc5Cl)nn4)n23)cn1,JFFPVLAVTOVQFH-UHFFFAOYSA-N,2,1,0.444,92,185,435.835,2.403,5,0.396,0.7,1.0,0.34733739976697964,0.43555959152902474,0.217479953395929,0.18358063189637447,0.295989394147077
EOS-2-19221,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cn2)n1,OCNIRBIDZOMCDU-UHFFFAOYSA-N,2,1,0.456,65,981,435.835,2.61,5,0.367,0.67,1.0,0.5180676444383524,0.6052104036734973,0.0452162291823727,0.059488725926941266,0.3069957508052909
EOS-2-19222,N#Cc1cc(-c2nnc3cncc(-c4nnc(-c5cnc(F)cn5)s4)n23)ccc1Cl,CDQVUMHIIGJUQB-UHFFFAOYSA-N,2,1,0.38,50,216,435.835,3.431,5,0.423,0.63,0.481,0.22731478308546363,0.49261531080803234,0.437461448838325,0.59977897333973,0.4392926290178877
EOS-2-19223,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)no1,JJESUYGTFPKJHA-UHFFFAOYSA-N,2,1,0.477,20,279,435.835,2.61,5,0.392,0.69,1.0,0.5311150709341375,0.5247669796449866,0.05791241176067439,0.07685388253032692,0.2976620862175313
EOS-2-19224,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)no1,XUHRFTHMZCDGKB-UHFFFAOYSA-N,2,1,0.479,20,279,435.835,2.61,5,0.392,0.73,1.0,0.5105715852237681,0.6239891028716332,0.056079089849907476,0.07500342676992666,0.3164108011788089
EOS-2-19225,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1c[nH]nn1,RWMXCARIWBMVII-UHFFFAOYSA-N,2,1,0.434,36,248,435.835,2.607,5,0.427,0.61,1.0,0.5180762113631691,0.5247755465698033,0.35270886162703036,0.2913868137893222,0.4217368583373312
EOS-2-19226,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)o1,XOTQBJUQJYSKTL-UHFFFAOYSA-N,2,1,0.505,65,981,435.835,2.319,5,0.413,0.7,0.986,0.6051333013501473,0.5617760948529916,0.20731101363854432,0.20892159550407785,0.3957855013364403
EOS-2-19227,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cn4)n23)ccc1-c1ncnn1C,XZKLZPBVGYDFNK-UHFFFAOYSA-N,2,1,0.347,49,896,435.835,2.831,5,0.41,0.64,1.0,0.397333972997053,0.3937101637996025,0.1132119114522651,0.10122678363374683,0.25137070797066685
EOS-2-19228,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cc[nH]n1,WHTDDBZDNNJXPK-UHFFFAOYSA-N,2,1,0.384,53,587,435.835,2.607,5,0.427,0.54,0.995,0.47332259612089644,0.47935371119183057,0.1609296826811048,0.13906689054896854,0.31316822013570006
EOS-2-19229,Cc1noc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)n1,RAVVPGJLWIYJJG-UHFFFAOYSA-N,2,1,0.424,65,822,435.835,2.61,5,0.392,0.65,1.0,0.5236275786443698,0.492623877732849,0.08081180179562744,0.09911932012884656,0.29904564457542315
EOS-2-19230,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nc[nH]n1,QDFGTOIFNCRZGA-UHFFFAOYSA-N,2,1,0.464,36,224,435.835,2.607,5,0.427,0.64,1.0,0.5878024124460284,0.5617846617778083,0.2713402097183195,0.22324549379754643,0.41104319443492565
EOS-2-19231,COc1nc(Cl)ccc1-c1nnc2cncc(Oc3nc(-c4ccccn4)nn3C)n12,SOQXAVHLCJWPJV-UHFFFAOYSA-N,2,1,0.363,36,180,435.835,2.831,5,0.384,0.66,1.0,0.36574772119799875,0.39859331094510314,0.045224796107189366,0.04068432595435542,0.21256253855116167
EOS-2-19232,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ncn5)n34)cn2)no1,UGJLHSDDDBBVJR-UHFFFAOYSA-N,2,1,0.464,65,510,435.835,2.61,5,0.367,0.75,1.0,0.5207062572818861,0.6481906654787197,0.07636556781577684,0.09122918237269549,0.33412291823726953
EOS-2-19233,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)no1,NNQJTOJRNNPZJR-UHFFFAOYSA-N,2,1,0.457,65,822,435.835,2.61,5,0.392,0.62,1.0,0.505517099581934,0.4793622781166472,0.056087656774724146,0.07881570831334384,0.2799456856966623
EOS-2-19234,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nc[nH]n1,BNLKPHYZGPTNEU-UHFFFAOYSA-N,2,1,0.434,47,248,435.835,2.607,5,0.427,0.62,1.0,0.5517784935919402,0.547812007401823,0.2755722705777534,0.22626961825783018,0.4003580974573367
EOS-2-19235,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ncco1,RIWMJHQJYWOKLL-UHFFFAOYSA-N,2,1,0.413,49,501,435.831,3.477,5,0.395,0.64,0.999,0.6192087588239326,0.44857275032554317,0.31564834487012544,0.27074052498115275,0.4135425947501885
EOS-2-19236,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ncon1,CQQCKXPOVSMJNK-UHFFFAOYSA-N,2,1,0.522,4,248,435.831,3.477,5,0.37,0.71,1.0,0.656749023370571,0.5662822973065589,0.4337776711671578,0.3677352477554657,0.5061360598999384
EOS-2-19237,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1cnoc1,URXJDWGSOYYSEP-UHFFFAOYSA-N,2,1,0.478,16,83,435.831,3.477,5,0.395,0.59,1.0,0.6107103694057981,0.5812144472620109,0.535072990199438,0.4467479953395929,0.54343645055171
EOS-2-19238,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nn4)n23)ccc1Cl,XLOYPAWLNYKGPZ-UHFFFAOYSA-N,2,1,0.517,4,67,435.831,3.477,5,0.395,0.65,1.0,0.660047289424988,0.7829055582208211,0.46249400315262834,0.4119063121102049,0.5793382907271606
EOS-2-19239,COc1nc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1noc(C)n1,BLOCWFZFUHINHG-UHFFFAOYSA-N,2,1,0.529,49,896,435.831,3.999,5,0.404,0.73,1.0,0.5262062230141868,0.5523182098553903,0.21089198821191146,0.2232540607223631,0.37816762045096286
EOS-2-19240,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ncon1,SPPJIKFNSDMQPG-UHFFFAOYSA-N,2,1,0.488,16,604,435.831,3.477,5,0.37,0.73,1.0,0.7658659447604688,0.6481992324035364,0.5284850250154205,0.4401771640052087,0.5956818415461586
EOS-2-19241,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncco1,FVRONXBBOOHZJK-UHFFFAOYSA-N,2,1,0.484,72,224,435.831,3.477,5,0.395,0.64,1.0,0.6663011445411555,0.5760057569734768,0.39766808306490303,0.3193835240901926,0.489839627167432
EOS-2-19242,OCc1cnc(-c2ccc(-c3nnc4cncc(OCc5cocc5Cl)n34)cn2)cn1,CAQDVYLFPPXXTJ-UHFFFAOYSA-N,2,1,0.455,55,85,435.831,2.961,5,0.428,0.55,1.0,0.6507864436981701,0.5760143238982934,0.47999623055308066,0.4530189843053937,0.5399539956137345
EOS-2-19243,COc1nnc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)o1,NYVJVZIMMFDLSQ-UHFFFAOYSA-N,2,1,0.489,16,256,435.831,3.477,5,0.395,0.74,1.0,0.6302343910629841,0.5662908642313755,0.37145329312589953,0.32873003906517717,0.47417714687135915
EOS-2-19244,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ncno1,POMYJCXYPJAPKE-UHFFFAOYSA-N,2,1,0.467,16,591,435.831,3.477,5,0.37,0.71,1.0,0.7211894318415462,0.5959238571722295,0.5584606949489411,0.4594184771434446,0.5837481152765404
EOS-2-19245,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cocn1,CQKBVWAMRXDMLF-UHFFFAOYSA-N,2,1,0.463,4,248,435.831,3.477,5,0.395,0.72,1.0,0.687564251936125,0.6196885066136659,0.4589301624288945,0.3774415735727503,0.5359061236378589
EOS-2-19246,COc1cc(-c2nnc3cncc(OCc4cc(-c5ccncn5)on4)n23)ccc1Cl,XLKQEJDSPVZAGS-UHFFFAOYSA-N,2,1,0.511,4,67,435.831,3.477,5,0.395,0.65,1.0,0.5993506270988965,0.6429048728668357,0.50048831471455,0.43089918442875746,0.5434107497772599
EOS-2-19247,COc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)o1,ODENHRYUZPLUTP-UHFFFAOYSA-N,2,1,0.5,72,992,435.831,3.477,5,0.37,0.72,1.0,0.6447638955520526,0.5570214515797409,0.3753940785415667,0.3164536358028922,0.4734082653690631
EOS-2-19248,COc1cc(-c2cnno2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,GQASRVKMVGBIGQ-UHFFFAOYSA-N,2,1,0.477,16,375,435.831,3.477,5,0.395,0.67,1.0,0.5709341374820095,0.5570300185045576,0.5942276060585292,0.5162942910013022,0.5596215132615996
EOS-2-19249,Cc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1nc(=O)o[nH]1,LDYRODSVACCDNJ-UHFFFAOYSA-N,2,1,0.478,16,55,435.831,3.07,5,0.417,0.68,1.0,0.5907323007333287,0.4880491398807484,0.462502570077445,0.4278836268932904,0.4922919093962031
EOS-2-19250,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)cn1,PMNWKTBVCMGXPQ-UHFFFAOYSA-N,2,1,0.549,97,335,435.831,3.477,5,0.395,0.75,1.0,0.6417997395654855,0.7611284353368515,0.3008189980124734,0.28847405935165515,0.49805530806661635
EOS-2-19251,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ncon1,WHROPGRMCNUEIF-UHFFFAOYSA-N,2,1,0.506,16,375,435.831,3.477,5,0.395,0.68,1.0,0.810628126927558,0.6196970735384826,0.5148207799328353,0.4433640600370091,0.5971275101089712
EOS-2-19252,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncco1,MXMUXFACSNVADV-UHFFFAOYSA-N,2,1,0.449,51,196,435.831,3.477,5,0.395,0.64,1.0,0.8156483448701254,0.605218970598314,0.352717428551847,0.28269138510040437,0.5140690322801726
EOS-2-19253,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1nnco1,NKZQTBXGRFBMCR-UHFFFAOYSA-N,2,1,0.472,72,591,435.831,3.477,5,0.37,0.74,1.0,0.7687444314988692,0.6336611609896512,0.5520098005619902,0.45606880954012746,0.6026210506476595
EOS-2-19254,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cocn1,SPMVXWWTLIBCEI-UHFFFAOYSA-N,2,1,0.484,72,224,435.831,3.477,5,0.395,0.72,1.0,0.672452196559523,0.6100764169693647,0.4521108902748269,0.377450140497567,0.5280224110753204
EOS-2-19255,COc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1ccon1,JPVAPKKYERCQFN-UHFFFAOYSA-N,2,1,0.43,97,61,435.831,3.477,5,0.37,0.74,1.0,0.7452710575011994,0.6100849838941813,0.3976766499897197,0.33854773490507845,0.5228951065725447
EOS-2-19256,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cnco1,BLRZNWDCEBWJLS-UHFFFAOYSA-N,2,1,0.462,16,83,435.831,3.477,5,0.395,0.71,1.0,0.6632770200808717,0.6150109656637653,0.48338016585566446,0.3992272633815366,0.5402238537454596
EOS-2-19257,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ccon1,NJQPEDXSDOCTNH-UHFFFAOYSA-N,2,1,0.402,49,501,435.831,3.477,5,0.37,0.63,1.0,0.54936262079364,0.4880577068055651,0.3864454115550682,0.32556884380782675,0.437358645740525
EOS-2-19258,COc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,JIJHTGZKECFPNJ-UHFFFAOYSA-N,2,1,0.549,4,539,435.831,3.477,5,0.395,0.8,1.0,0.633095743951751,0.8076554040161743,0.29739222808580634,0.29139538071413884,0.5073846891919677
EOS-2-19259,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccno1,HQFPGYMMDJHZMD-UHFFFAOYSA-N,2,1,0.484,72,224,435.831,3.477,5,0.395,0.63,1.0,0.584923925707628,0.5617932287026249,0.4659978754026455,0.3960146665752861,0.502182424097046
EOS-2-19260,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1nnco1,DQULDXISECXEHX-UHFFFAOYSA-N,2,1,0.5,72,591,435.831,3.477,5,0.37,0.72,1.0,0.7999623055308067,0.5812230141868275,0.5452590638064561,0.4433726269618258,0.592454252621479
EOS-2-19261,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1ncon1,XAQXPZUGUTXDHG-UHFFFAOYSA-N,2,1,0.518,16,375,435.831,3.477,5,0.37,0.69,1.0,0.8184411623603591,0.5912805839215955,0.5214944143650195,0.42789219381810706,0.5897770886162703
EOS-2-19262,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cocn1,UCROFXYPBWOWMP-UHFFFAOYSA-N,2,1,0.413,49,501,435.831,3.477,5,0.395,0.63,0.999,0.6302429579878007,0.4926324446576657,0.3792920293331506,0.3255774107326434,0.4569362106778151
EOS-2-19263,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1nnco1,FYEVTQBCOBYNJZ-UHFFFAOYSA-N,2,1,0.489,72,224,435.831,3.477,5,0.37,0.73,1.0,0.6418083064903023,0.552326776780207,0.4556832979233774,0.3804314303337674,0.5075624528819135
EOS-2-19264,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ncco1,JYEVMRJNVDRCRP-UHFFFAOYSA-N,2,1,0.402,49,501,435.831,3.477,5,0.37,0.65,1.0,0.5937478582687958,0.4834230004797478,0.3302977863066274,0.2707490919059694,0.4195544342402851
EOS-2-19265,OCc1ccc(-c2nnc3cncc(OCc4cc(-c5cncc(Cl)n5)no4)n23)cc1,USGZNCNXHIQHIO-UHFFFAOYSA-N,2,1,0.545,55,731,435.831,2.961,5,0.428,0.69,1.0,0.6905541086971421,0.5959324240970462,0.4696645192241793,0.45942704406826124,0.5538945240216572
EOS-2-19266,FC(F)c1ccc(Cl)c(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)c1,MPGKYCGGYNNGGB-UHFFFAOYSA-N,2,1,0.321,96,478,435.825,4.901,5,0.399,0.79,0.972,0.29493352066342265,0.5065965321088343,0.9514426701391269,0.9512284970187102,0.6760503049825235
EOS-2-19267,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cc2)cn1,VKYZEJKKOZHDBL-UHFFFAOYSA-N,2,1,0.662,57,913,435.821,5.577,5,0.345,0.83,1.0,0.9477331916935097,0.964721403604962,0.9749417449112466,0.9801590021245974,0.966888835583579
EOS-2-19268,Fc1cccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,BCRHQVJDSGFLER-UHFFFAOYSA-N,2,1,0.385,83,533,435.821,5.577,5,0.369,0.81,1.0,0.6600558563498047,0.9188883558357892,0.9564800219313275,0.9647899390034953,0.8750535432801041
EOS-2-19269,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4ccccc4F)ccn3)n12,FQXCSMAZZPRUKQ-UHFFFAOYSA-N,2,1,0.425,57,616,435.821,5.577,5,0.369,0.8,1.0,0.7390771708587486,0.8076639709409911,0.9596840518127613,0.9732454937975464,0.8699176718525118
EOS-2-19270,Fc1cccc(Oc2cncc3nnc(-c4cc(-c5cccc(Cl)c5)ccn4)n23)c1F,OHARUYDZAPJBTI-UHFFFAOYSA-N,2,1,0.422,57,236,435.821,5.577,5,0.369,0.81,1.0,0.7569049414022343,0.815348502501542,0.9617315468439449,0.9741021862792132,0.8770217942567337
EOS-2-19271,Oc1c(F)cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cc1F,FWRKWHKLHNHICA-UHFFFAOYSA-N,2,1,0.435,45,533,435.821,5.158,5,0.423,0.79,1.0,0.5466040710026728,0.860376259337948,0.9693132753066959,0.9774004523336303,0.8384235144952368
EOS-2-19272,Fc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cnc1F,JSRSZDDYNNHULT-UHFFFAOYSA-N,2,1,0.592,57,913,435.821,5.577,5,0.345,0.84,1.0,0.9286632170516071,0.976792200671647,0.9706754163525461,0.977409019258447,0.9633849633335618
EOS-2-19273,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)cn1,ROCHHYJLCNRKKU-UHFFFAOYSA-N,2,1,0.525,57,913,435.821,5.577,5,0.345,0.84,1.0,0.9179888287300391,0.9787111918305805,0.972868549105613,0.979550750462614,0.9622798300322116
EOS-2-19274,Fc1cccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5F)ccn4)n23)c1,PIHFZKVYEOJJLD-UHFFFAOYSA-N,2,1,0.537,57,236,435.821,5.577,5,0.369,0.81,1.0,0.7630559934206017,0.8374340346789116,0.9596926187375779,0.97485607566308,0.8837596806250427
EOS-2-19275,Fc1cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Oc2ccccc2F)cn1,VERBILDWRPYZEJ-UHFFFAOYSA-N,2,1,0.408,83,533,435.821,5.577,5,0.345,0.77,1.0,0.5907408676581455,0.8879360564731684,0.9637190734014118,0.9732540607223631,0.8539125145637722
EOS-2-19276,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)c(F)c1,VGAJGEIGVVUNOI-UHFFFAOYSA-N,2,1,0.452,57,236,435.821,5.577,5,0.369,0.87,1.0,0.7800870399561374,0.8509612089644302,0.9628709478445617,0.9752844219039134,0.8923009046672606
EOS-2-19277,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cc1,FTUFKSPNLFGARH-UHFFFAOYSA-N,2,1,0.452,57,236,435.821,5.577,5,0.369,0.87,1.0,0.780095606880954,0.8479113837296964,0.9623397985059283,0.9748646425878966,0.8913028579261189
EOS-2-19278,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)cc1,MIRHXXWFVGZHQO-UHFFFAOYSA-N,2,1,0.55,57,236,435.821,5.577,5,0.369,0.82,1.0,0.845444109382496,0.8800459187170173,0.9664262216434789,0.9784970187101638,0.9176033171132891
EOS-2-19279,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)cc1Cl,KUXSNOLSFSPOLI-UHFFFAOYSA-N,2,1,0.543,57,236,435.821,5.577,5,0.369,0.75,1.0,0.8237526557466932,0.8443047083818792,0.9641559865670619,0.9769549722431636,0.9022920807346995
EOS-2-19280,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)c(F)c1,RUUXCJVNRAWTHB-UHFFFAOYSA-N,2,1,0.525,57,913,435.821,5.577,5,0.345,0.83,1.0,0.8932646837091358,0.9486669864985265,0.9714121718867795,0.9769635391679803,0.9475768453156055
EOS-2-19281,Fc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,GOFVFEFVUJSCDM-UHFFFAOYSA-N,2,1,0.465,83,533,435.821,5.577,5,0.369,0.8,1.0,0.6845572613254746,0.922709204304023,0.9597011856623946,0.9693047083818792,0.8840680899184429
EOS-2-19282,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)cc5)nc4)n23)cc1F,HDAUEQFOQMBYJV-UHFFFAOYSA-N,2,1,0.512,57,236,435.821,5.577,5,0.369,0.85,1.0,0.9486498526488931,0.9742906586251799,0.9689191967651292,0.9774175861832637,0.9673193235556165
EOS-2-19283,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)cc1F,GJYQAYZSDCNGAW-UHFFFAOYSA-N,2,1,0.605,13,236,435.821,5.577,5,0.369,0.77,1.0,0.8567267493660475,0.9001010897128366,0.9741964224521965,0.9831574258104311,0.9285454218353779
EOS-2-19284,Fc1cccc(F)c1Oc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)nc3)n12,WDUGNTIVZFHAJI-UHFFFAOYSA-N,2,1,0.506,57,236,435.821,5.577,5,0.369,0.73,1.0,0.8658847919950654,0.9453944212185594,0.9591957370982113,0.9693132753066959,0.9349470564046329
EOS-2-19285,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c(F)c1,AOJPWSPWTQLKBL-UHFFFAOYSA-N,2,1,0.488,57,145,435.821,5.577,5,0.369,0.8,1.0,0.8289013775615105,0.8745630868343499,0.9613032006031115,0.9703498732095127,0.9087793845521211
EOS-2-19286,Fc1cccc(-c2nnc3cncc(-c4ccc(Oc5cc(Cl)ccc5F)cn4)n23)c1,HAWMINBSFODJSH-UHFFFAOYSA-N,2,1,0.434,45,533,435.821,5.577,5,0.369,0.79,1.0,0.4733311630457131,0.7657717085874854,0.9607549174148448,0.9724145020903296,0.7930680727845931
EOS-2-19287,Fc1ccc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5ccncc5)c(F)c4)n23)c1,WXVHQKLBESXAJK-UHFFFAOYSA-N,2,1,0.538,57,236,435.821,5.577,5,0.369,0.83,1.0,0.8914227948735521,0.9282006031115071,0.9739394147076965,0.9809128915084642,0.943618926050305
EOS-2-19288,Fc1cccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2)c1,ALVABVXXBDWNGY-UHFFFAOYSA-N,2,1,0.416,57,236,435.821,5.577,5,0.369,0.88,1.0,0.7743557672537866,0.8633061476252485,0.9597097525872113,0.9732626276471797,0.8926585737783566
EOS-2-19289,Fc1ccccc1-c1cnc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,ASLODBHJVUNTTQ-UHFFFAOYSA-N,2,1,0.514,57,417,435.821,5.577,5,0.369,0.86,1.0,0.939526077719142,0.9747361387156467,0.9548608731409773,0.9677969296141457,0.9592300047974779
EOS-2-19290,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)c(F)c1,MLJJDYDGJYXIQF-UHFFFAOYSA-N,2,1,0.44,57,236,435.821,5.577,5,0.369,0.85,1.0,0.7943424028510726,0.8852803097800014,0.962348365430745,0.9745048317455967,0.9041189774518539
EOS-2-19291,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)cc1F,GJNYFHWKQUFXAF-UHFFFAOYSA-N,2,1,0.605,57,236,435.821,5.577,5,0.369,0.81,1.0,0.8998783496676033,0.944246453293126,0.9679597011856624,0.9777602631759303,0.9474611918305805
EOS-2-19292,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,WRCZBULVMQQDKF-UHFFFAOYSA-N,2,1,0.463,57,480,435.821,5.577,5,0.369,0.76,1.0,0.8590312521417311,0.9001096566376533,0.9477588924679597,0.9564286203824275,0.915832105407443
EOS-2-19293,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)cn2)cc1F,ASYMKOHHIGETLZ-UHFFFAOYSA-N,2,1,0.579,57,236,435.821,5.577,5,0.369,0.79,1.0,0.8966657528613529,0.9263672812007402,0.9679682681104791,0.9774261531080803,0.9421068638201631
EOS-2-19294,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,QASFNNLFAOBLSS-UHFFFAOYSA-N,2,1,0.494,57,913,435.821,5.577,5,0.369,0.8,1.0,0.9233945582893565,0.9344116236035912,0.9564885888561442,0.9594870125419779,0.9434454458227675
EOS-2-19295,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)c1,QTRZADKDZVWDGT-UHFFFAOYSA-N,2,1,0.59,57,236,435.821,5.577,5,0.369,0.88,1.0,0.8312658488109108,0.9188969227606059,0.9659550407785621,0.9761068466863135,0.9230561647590981
EOS-2-19296,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2)cc1,UTRXDGSBAFTBJY-UHFFFAOYSA-N,2,1,0.44,57,236,435.821,5.577,5,0.369,0.86,1.0,0.7943509697758893,0.880054485641834,0.9623569323555616,0.9741107532040298,0.9027182852443286
EOS-2-19297,Fc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,PTIWQSKMNKGVNH-UHFFFAOYSA-N,2,1,0.395,83,533,435.821,5.577,5,0.369,0.79,1.0,0.6447724624768693,0.9227177712288397,0.9541155506819272,0.9652696867932287,0.8717188677952161
EOS-2-19298,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)nc1,BFAXKXDCUFAOCL-UHFFFAOYSA-N,2,1,0.488,57,145,435.821,5.577,5,0.369,0.77,1.0,0.8264084024398601,0.8718388047426496,0.9607634843396614,0.969801590021246,0.9072030703858542
EOS-2-19299,Fc1ccc(Oc2ccc(F)cc2-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1,HQCKPROCWZVEHJ-UHFFFAOYSA-N,2,1,0.337,45,533,435.821,5.577,5,0.369,0.81,1.0,0.5055256665067507,0.6774467137276403,0.9533873620725104,0.9715578096086629,0.7769793879788911
EOS-2-19300,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)cc1F,ZZJAOKGPBISIMC-UHFFFAOYSA-N,2,1,0.615,57,236,435.821,5.577,5,0.369,0.77,1.0,0.912497429922555,0.8957747926804195,0.9655009937632787,0.9735967377150299,0.9368424885203208
EOS-2-19301,Fc1cccc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)c1,VWRJOHPAFGQICC-UHFFFAOYSA-N,2,1,0.521,57,417,435.821,5.577,5,0.369,0.82,1.0,0.9433897608114591,0.9768007675964636,0.9553748886299774,0.9687649921184291,0.9610826022890824
EOS-2-19302,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cc1F,SQBWPTAHSFOANL-UHFFFAOYSA-N,2,1,0.514,57,417,435.821,5.577,5,0.369,0.83,1.0,0.9587245562332944,0.9828661503666644,0.9714207388115962,0.978154341717497,0.9727914467822629
EOS-2-19303,Fc1ccc(F)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c1,FWDSFJZBLZGUBU-UHFFFAOYSA-N,2,1,0.514,57,417,435.821,5.577,5,0.369,0.79,1.0,0.9525049688163937,0.9791309711465972,0.9683966143513124,0.9769721060927969,0.969251165101775
EOS-2-19304,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c(F)c1,UKLZYFPYYZCISC-UHFFFAOYSA-N,2,1,0.488,57,913,435.821,5.577,5,0.345,0.82,1.0,0.7914296484134056,0.8932475498595024,0.9693218422315126,0.9761154136111302,0.9075286135288878
EOS-2-19305,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c(F)c1,AYVJJEXQGYGHAL-UHFFFAOYSA-N,2,1,0.529,57,417,435.821,5.577,5,0.369,0.84,1.0,0.9580049345486944,0.9791395380714139,0.9679768350352957,0.9761239805359468,0.9703113220478378
EOS-2-19306,Fc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)cc1,UUYPMEMNKLHQIM-UHFFFAOYSA-N,2,1,0.544,57,417,435.821,5.577,5,0.369,0.84,1.0,0.9517682132821602,0.9795593173874306,0.9587673908573778,0.9703584401343294,0.9651133404153246
EOS-2-19307,Fc1ccc(-c2cncc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)cc1F,QLTMMILACBEXDD-UHFFFAOYSA-N,2,1,0.59,13,236,435.821,5.577,5,0.369,0.76,1.0,0.7914382153382222,0.9001182235624701,0.9728771160304297,0.9822664656294976,0.911675005140155
EOS-2-19308,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4cncnn4)cn3)n12,GNWWAOURVDXPDN-UHFFFAOYSA-N,2,1,0.535,73,212,435.81,2.805,5,0.41,0.59,1.0,0.7598947981632513,0.9001267904872867,0.46967308614899594,0.5431944349256391,0.6682222774312934
EOS-2-19309,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)cn1,SEVQXBJFBFMAQO-UHFFFAOYSA-N,2,1,0.422,7,434,435.81,2.805,5,0.384,0.63,1.0,0.6478565554108697,0.739454115550682,0.4152388458638887,0.41811733260228906,0.5551667123569324
EOS-2-19310,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)nn2)cn1,IOSJWQBLBCWPLS-UHFFFAOYSA-N,2,1,0.38,54,411,435.81,2.805,5,0.303,0.67,0.999,0.5761856623946269,0.6197056404632993,0.30808375025700774,0.3774587074223837,0.4703584401343294
EOS-2-19311,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5cncnc5)n34)cc(Cl)n2)n1,ZZGHUTZTVHCCIX-UHFFFAOYSA-N,2,1,0.444,55,242,435.81,2.805,5,0.303,0.6,0.87,0.777388458638887,0.7440288534027826,0.3864539784798849,0.41812589952710577,0.581499297512165
EOS-2-19312,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5ncccn5)ncc4Cl)n23)cn1,VQOSHMOWWFPBOU-UHFFFAOYSA-N,2,1,0.449,73,242,435.81,2.805,5,0.384,0.64,0.998,0.6933897608114591,0.8113477486121582,0.21090055513672812,0.2884826262764718,0.5010301727092042
EOS-2-19313,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnnc(-c4cccnn4)n3)n12,SPMPTSOHSICAKW-UHFFFAOYSA-N,2,1,0.511,36,29,435.81,2.805,5,0.41,0.66,1.0,0.745279624426016,0.9050356384072373,0.32292166403947636,0.4467565622644096,0.6049983722842848
EOS-2-19314,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)nc1,ZVUVVBAIPPOECA-UHFFFAOYSA-N,2,1,0.444,7,930,435.81,2.805,5,0.41,0.64,1.0,0.6755962579672401,0.7440374203275992,0.297400795010623,0.3416061270646289,0.5146601500925228
EOS-2-19315,Fc1ccc(-c2ncc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)cn1,GRHCPFLMQMYNBB-UHFFFAOYSA-N,2,1,0.448,7,94,435.81,2.805,5,0.384,0.68,1.0,0.6331043108765677,0.6873243780412583,0.3714618600507162,0.39923583030635323,0.5227815948187239
EOS-2-19316,Fc1nnc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1cncnc1,DHLDWJUYSPRSCC-UHFFFAOYSA-N,2,1,0.398,55,435,435.81,2.805,5,0.41,0.69,0.999,0.7830254951682544,0.6336697279144679,0.49701014323898296,0.5526009183743403,0.6165765711740114
EOS-2-19317,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cn1,XGVIQZGAEMGYNB-UHFFFAOYSA-N,2,1,0.385,51,924,435.81,2.805,5,0.384,0.63,1.0,0.5180847782879857,0.5478205743266397,0.37930059625796725,0.44676512918922623,0.4729927695154547
EOS-2-19318,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)nn1,POYZKUUMMOWETI-UHFFFAOYSA-N,2,1,0.5,53,208,435.81,2.805,5,0.41,0.64,1.0,0.5466126379274896,0.615019532588582,0.3527259954766637,0.3992443972311699,0.4784006408059763
EOS-2-19319,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)nn4)n23)ccc1Cl,XAXVFJXDFSFERS-UHFFFAOYSA-N,2,1,0.512,73,756,435.81,2.805,5,0.41,0.65,1.0,0.8387019395517785,0.9358680008224248,0.4556918648481941,0.5332054005894045,0.6908668014529505
EOS-2-19320,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)nc1,IFRFEAVFESHTMW-UHFFFAOYSA-N,2,1,0.471,55,930,435.81,2.805,5,0.41,0.68,1.0,0.6507950106229867,0.7116116098965115,0.2935885134672058,0.33855630182989516,0.4986378589541498
EOS-2-19321,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)nc1,XIIJBDGEMPGSJK-UHFFFAOYSA-N,2,1,0.592,34,32,435.81,2.805,5,0.41,0.71,1.0,0.8897179768350353,0.9576622575560277,0.2245305325200466,0.39925296415598654,0.6177909327667741
EOS-2-19322,Fc1ncncc1-c1cc(-c2nnc3cncc(OCc4cccnc4Cl)n23)ncn1,HMFNNVLCAHNBOQ-UHFFFAOYSA-N,2,1,0.375,46,395,435.81,2.805,5,0.303,0.6,0.183,0.7390857377835652,0.610093550818998,0.4696816530738126,0.49604208073469946,0.5787257556027687
EOS-2-19323,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)nc1Cl,KCLNEKKPMDEAOM-UHFFFAOYSA-N,2,1,0.402,2,435,435.81,2.805,5,0.384,0.67,1.0,0.6537848673840039,0.6628229730655884,0.43747001576314165,0.4747961071893633,0.5572184908505243
EOS-2-19324,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)nc2)cn1,BSVPVZGLECFRRD-UHFFFAOYSA-N,2,1,0.424,55,434,435.81,2.805,5,0.384,0.66,1.0,0.8027893907203071,0.687332944966075,0.47617538208484683,0.44338119388664243,0.6024197279144679
EOS-2-19325,COc1ccc(-c2nnc3cncc(-c4ncnc(-c5cc(F)cc(Cl)n5)n4)n23)cn1,IXFPNHVRKCQPDM-UHFFFAOYSA-N,2,1,0.311,29,849,435.81,2.901,5,0.392,0.69,0.999,0.4608834212870948,0.6052275375231307,0.27558083750257006,0.3071328216023576,0.41220615447878833
EOS-2-19326,Fc1nc(-c2nnc3cncc(OCc4cnccn4)n23)ccc1-c1cnc(Cl)nc1,JKHHHLATKIREEB-UHFFFAOYSA-N,2,1,0.391,7,94,435.81,2.805,5,0.303,0.63,1.0,0.6724607634843397,0.677455280652457,0.4189654581591392,0.42166403947638953,0.5476363854430814
EOS-2-19327,Fc1cnncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,FNFKIOHFPIYUAA-UHFFFAOYSA-N,2,1,0.456,2,875,435.81,2.805,5,0.41,0.58,1.0,0.5709427044068262,0.6429134397916524,0.5111541361113014,0.5561047906243575,0.5702787677335344
EOS-2-19328,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)ncn4)n23)cn1,KSFYEPOFIGKFPD-UHFFFAOYSA-N,2,1,0.424,46,395,435.81,2.805,5,0.303,0.63,0.496,0.7271434445891303,0.5959409910218628,0.4902337057089987,0.4777773970255637,0.5727738845863889
EOS-2-19329,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cnn2)nc1,UYPFCQOXRBWAEG-UHFFFAOYSA-N,2,1,0.455,55,65,435.81,2.805,5,0.41,0.59,1.0,0.7087930916318278,0.6774638475772736,0.38646254540470154,0.4560773764649441,0.5571992152696867
EOS-2-19330,Fc1ccccc1-c1nnc2cncc(OCc3cnc(-c4ccc(Cl)nn4)nn3)n12,UXXNFOBBLUSGSH-UHFFFAOYSA-N,2,1,0.518,36,820,435.81,2.805,5,0.41,0.62,1.0,0.641816873415119,0.8113563155369748,0.2354105270372147,0.3677438146802824,0.5140818826673977
EOS-2-19331,Fc1nc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)ccc1-c1cccnn1,APVBYKOIGZTZOF-UHFFFAOYSA-N,2,1,0.415,46,223,435.81,2.805,5,0.303,0.63,0.999,0.5735556164759098,0.6101021177438147,0.33751113700226165,0.36775238160509904,0.47223031320677133
EOS-2-19332,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)nn2)nc1,CZRUZFWGJABTBE-UHFFFAOYSA-N,2,1,0.355,54,411,435.81,2.805,5,0.384,0.67,0.91,0.565271400178192,0.6052361044479474,0.25356384072373384,0.34161469398944555,0.4414215098348297
EOS-2-19333,Fc1cccnc1-c1cnc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cn1,XJCKWYPQJPHRGL-UHFFFAOYSA-N,2,1,0.422,7,94,435.81,2.805,5,0.41,0.63,1.0,0.5543485710369406,0.605244671372764,0.29003323966828864,0.36123295181961484,0.45271485847440207
EOS-2-19334,Fc1cc(COc2cncc3nnc(-c4cc(-c5ncccn5)ncn4)n23)cnc1Cl,GBPHBZJJXPMDOI-UHFFFAOYSA-N,2,1,0.391,46,842,435.81,2.805,5,0.384,0.6,0.644,0.7540093208142006,0.5707970666849428,0.39011205537660204,0.4181344664519224,0.5332632273319169
EOS-2-19335,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)nn1,JAFGQJPBTJLWJI-UHFFFAOYSA-N,2,1,0.42,53,208,435.81,2.805,5,0.41,0.65,0.999,0.4930265231992324,0.5107172229456515,0.3489222808580632,0.39926153108080326,0.4379818895209376
EOS-2-19336,Fc1cnccc1COc1cncc2nnc(-c3cc(-c4cnc(Cl)nc4)ncn3)n12,OZDMTHCDHQIVCK-UHFFFAOYSA-N,2,1,0.387,46,113,435.81,2.805,5,0.384,0.64,0.747,0.7303303406209307,0.6578284558974711,0.514829346857652,0.5128846549242684,0.6039681995750805
EOS-2-19337,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)nc1,KUXMARFQEBIAME-UHFFFAOYSA-N,2,1,0.506,73,420,435.81,2.805,5,0.41,0.62,1.0,0.6107189363306148,0.5959495579466795,0.29740936193543965,0.344878692344596,0.4622391371393325
EOS-2-19338,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nn4)n23)c1,CIGXKVFTFMSLAF-UHFFFAOYSA-N,2,1,0.416,54,62,435.81,2.805,5,0.384,0.67,0.934,0.7452881913508327,0.642922006716469,0.4374785826879583,0.4718576519772463,0.5743866081831266
EOS-2-19339,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,VMXHLAQFDPBHNH-UHFFFAOYSA-N,2,1,0.398,53,182,435.81,2.805,5,0.384,0.7,1.0,0.48062161606469744,0.5478291412514564,0.4228462751010897,0.4840312521417312,0.4838320711397437
EOS-2-19340,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)ccn1,BCDJUAPRENVNGI-UHFFFAOYSA-N,2,1,0.354,51,395,435.81,2.805,5,0.384,0.58,0.79,0.5236361455691865,0.5337793845521211,0.3564526077719142,0.4022256870673703,0.45402345624014795
EOS-2-19341,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)nc1,VRQUJDLLWXDWKW-UHFFFAOYSA-N,2,1,0.446,51,930,435.81,2.805,5,0.41,0.65,1.0,0.717942567336029,0.7829141251456377,0.2535724076485505,0.3007076279898568,0.5137841820300185
EOS-2-19342,Fc1ccncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)nn1,PXEFTWNXAJPDSS-UHFFFAOYSA-N,2,1,0.398,54,94,435.81,2.805,5,0.41,0.65,1.0,0.5791241176067439,0.6052532382975807,0.3639486669864985,0.4467736961140429,0.49877492975121657
EOS-2-19343,Fc1cccnc1-c1cc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)cnn1,PEUINEVLIKSGDL-UHFFFAOYSA-N,2,1,0.44,55,434,435.81,2.805,5,0.384,0.67,0.984,0.7303389075457474,0.7657802755123021,0.3864711123295182,0.43416318278390786,0.5791883695428688
EOS-2-19344,Fc1cnc(COc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)nc1Cl,DMJVOHYENSWECV-UHFFFAOYSA-N,2,1,0.371,51,395,435.81,2.805,5,0.384,0.62,0.994,0.587810979370845,0.5812315811116442,0.3118189294770749,0.3677609485299157,0.4621556096223699
EOS-2-19345,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cnn2)cn1,LFQCRJWBUNHXGS-UHFFFAOYSA-N,2,1,0.422,51,196,435.81,2.805,5,0.384,0.48,1.0,0.5681156192173258,0.6533565211431704,0.3901206223014187,0.4467822630388596,0.5145937564251937
EOS-2-19346,O=c1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)[nH]1,VHXMPQOYOKOHPR-UHFFFAOYSA-N,2,1,0.466,13,110,435.806,3.521,5,0.459,0.57,1.0,0.6107275032554315,0.6150280995133987,0.7627818518264684,0.7914039476389555,0.6949853505585635
EOS-2-19347,COc1cnc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1Cl,VUTKCAJXOCUMAS-UHFFFAOYSA-N,2,1,0.556,90,12,435.793,4.446,4,0.461,0.8,1.0,0.9599924611061613,0.9587074223836611,0.9899338633404153,0.9693218422315126,0.9694888972654376
EOS-2-19348,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnoc5)ncc4Cl)n23)ccc1Cl,YTXINDWPKDTPRH-UHFFFAOYSA-N,2,1,0.542,97,109,464.272,4.599,5,0.371,0.6,1.0,0.8237612226715099,0.8341015009252278,0.9099787540264547,0.9198906860393393,0.871933040915633
EOS-2-19349,N#Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnc(-c4ccc(Cl)cc4)o3)n12,QLYSSFXFQIZNNE-UHFFFAOYSA-N,2,1,0.506,34,372,464.272,4.599,5,0.371,0.76,1.0,0.8106366938523748,0.9227263381536563,0.7417157837022822,0.837579672400795,0.828164622027277
EOS-2-19350,N#Cc1cc(-c2nnc3cncc(OCc4nnnn4-c4cccc(Cl)c4)n23)ccc1Cl,HSOKUJUAEJIQQQ-UHFFFAOYSA-N,2,1,0.473,34,612,464.276,3.524,5,0.388,0.74,1.0,0.5543571379617572,0.8037146186005072,0.5685782331574258,0.744739908162566,0.667847474470564
EOS-2-19351,Cc1cc(-c2ccon2)ccc1-c1nnc2cncc(OCc3ncc(Br)cn3)n12,HUBOHJKMHFDZPR-UHFFFAOYSA-N,2,1,0.442,51,196,464.283,3.886,5,0.386,0.74,1.0,0.602331916935097,0.5201579740936193,0.3229302309642931,0.28849119320128846,0.43347782879857444
EOS-2-19352,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)cc2)o1,VIPXQFVRMLAQIB-UHFFFAOYSA-N,2,1,0.568,4,22,464.283,3.886,5,0.386,0.73,1.0,0.605141868274964,0.6286923445959838,0.3342128709478446,0.2855270372147214,0.4633935302583784
EOS-2-19353,Cn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)n1,MMENXSQDVZORIC-UHFFFAOYSA-N,2,1,0.561,36,212,464.287,2.718,5,0.391,0.69,1.0,0.47060688095401276,0.5478377081762731,0.18005105887190734,0.20612021108902748,0.35115396477280514
EOS-2-19354,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)nc5)n34)cc2)n1,URPCDDPNZGYFBL-UHFFFAOYSA-N,2,1,0.57,36,258,464.287,2.718,5,0.366,0.73,1.0,0.6246059214584333,0.48343156740456444,0.21410458501816187,0.19183914741964225,0.3784953053252005
EOS-2-19355,Cn1ncc(-c2cncc3nnc(-c4cc(C#N)c(Cl)cc4F)n23)c1-c1ccc(Cl)cc1,OBUJFNKUOJIKSI-UHFFFAOYSA-N,2,1,0.365,45,46,464.291,5.176,5,0.368,0.69,1.0,0.25970632581728464,0.5337879514769378,0.9496350490028099,0.9712408333904462,0.6785925399218696
EOS-2-19356,Clc1cncc(COc2cncc3nnc(-c4ccc(Oc5cccc(Cl)c5)cc4)n23)c1,OYISBJXWEQEVKC-UHFFFAOYSA-N,2,1,0.571,57,881,464.312,5.864,5,0.313,0.74,1.0,0.9443578233157426,0.885288876704818,0.92503084092934,0.9415735727503255,0.9240627784250565
EOS-2-19357,COc1cc(-c2nnc3cncc(Oc4ccc(-c5cccc(Cl)c5)cn4)n23)ccc1Cl,AXZWXEYIWDPCDM-UHFFFAOYSA-N,2,1,0.461,57,417,464.312,5.961,5,0.32,0.87,1.0,0.8984391062984032,0.890651771640052,0.9317216092111575,0.9321328216023577,0.9132363271879926
EOS-2-19358,Clc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccc(Cl)nc5)cc4)n23)cc1,JORARXWVDGFQDZ-UHFFFAOYSA-N,2,1,0.667,57,881,464.312,5.864,5,0.293,0.83,1.0,0.9777773970255637,0.9742992255499966,0.9360136385443081,0.9431670207662257,0.9578143204715235
EOS-2-19359,Clc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)cc1Cl,GRIZKCFPSPZHKV-UHFFFAOYSA-N,2,1,0.709,57,881,464.312,5.864,5,0.313,0.82,1.0,0.9540384483585772,0.9415478719758755,0.9308820505791241,0.929314303337674,0.9389456685628127
EOS-2-19360,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cn1,HLGAUGRHKCXUBK-UHFFFAOYSA-N,2,1,0.477,15,846,464.316,4.572,5,0.34,0.7,1.0,0.7271520115139469,0.7994654238914399,0.6458518950037695,0.7343910629840312,0.726715098348297
EOS-2-19361,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)nc1,ZHPCJIFBSQZTLK-UHFFFAOYSA-N,2,1,0.528,75,583,464.316,4.572,5,0.364,0.63,1.0,0.7859810842300048,0.8037231855253238,0.6363940100061681,0.7235110684668631,0.7374023370570899
EOS-2-19362,Clc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)nc1,NYKFVLPDTOLWJC-UHFFFAOYSA-N,2,1,0.662,84,166,464.316,4.572,5,0.364,0.77,1.0,0.903159481872387,0.9311219244739908,0.6098622438489479,0.7044239599753273,0.7871419025426631
EOS-2-19363,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)cn1,CZELCFOPNCNXJB-UHFFFAOYSA-N,2,1,0.537,35,76,464.316,4.572,5,0.34,0.76,1.0,0.9063206771297375,0.937281543417175,0.7262439174833801,0.7679819751901857,0.8344570283051196
EOS-2-19364,Clc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)c1,QCVDCAOHTPXALI-UHFFFAOYSA-N,2,1,0.61,75,583,464.316,4.572,5,0.364,0.66,1.0,0.797092385717223,0.8153570694263587,0.7442173257487492,0.8005020217942568,0.789292200671647
EOS-2-19365,Clc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2Cl)cnn1,LWOXJJXZGSRJNA-UHFFFAOYSA-N,2,1,0.598,72,275,464.316,4.572,5,0.364,0.72,1.0,0.847894249880063,0.9071688026865876,0.7030446850798437,0.7751953258858201,0.8083257658830786
EOS-2-19366,Clc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)c1,PLMGYEXDJMCFJD-UHFFFAOYSA-N,2,1,0.516,44,130,464.316,4.572,5,0.34,0.7,1.0,0.7390943047083819,0.7440459872524159,0.697878829415393,0.7844990062367213,0.741379531903228
EOS-2-19367,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)nc1,GAGLVPQRDGBOOL-UHFFFAOYSA-N,2,1,0.489,11,846,464.316,4.572,5,0.364,0.73,1.0,0.7483037488862998,0.8037317524501405,0.5942361729833459,0.6990182304160099,0.7113224761839491
EOS-2-19368,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cc1Cl,NCJJXCQGDRJZJN-UHFFFAOYSA-N,2,1,0.625,84,308,464.316,4.572,5,0.364,0.84,1.0,0.8479028168048797,0.8374426016037283,0.7559026111986841,0.7983688575149065,0.8099042217805497
EOS-2-19369,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nc1,JCMQAOJAIMABED-UHFFFAOYSA-N,2,1,0.442,18,692,464.316,4.572,5,0.364,0.64,1.0,0.6107360701802481,0.6287009115208005,0.6217874031937496,0.7235196353916798,0.6461860050716195
EOS-2-19370,Clc1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(-c5ccncc5)n4)n23)cc1,KNHZYEJHNRCFFL-UHFFFAOYSA-N,2,1,0.608,11,275,464.316,4.572,5,0.34,0.76,1.0,0.9494722774312933,0.9713436364882462,0.5685868000822425,0.6760588719073402,0.7913653964772804
EOS-2-19371,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cc1,KRDWPILDIVVGFZ-UHFFFAOYSA-N,2,1,0.461,11,503,464.316,4.572,5,0.364,0.78,1.0,0.6964310191213762,0.7571790829963676,0.5909207730792955,0.7287797272291139,0.6933276506065382
EOS-2-19372,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)cn2)cc1,VEFGWHCGNPADMC-UHFFFAOYSA-N,2,1,0.512,11,801,464.316,4.572,5,0.364,0.74,1.0,0.7360958810225482,0.9153245151120554,0.6273644712494003,0.755003084092934,0.7584469878692346
EOS-2-19373,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)nc1Cl,OPRLCYZCSAWMNZ-UHFFFAOYSA-N,2,1,0.506,11,846,464.316,4.572,5,0.34,0.73,1.0,0.8264169693646769,0.8479199506545131,0.6652131450894387,0.7262096497841135,0.7664399287231856
EOS-2-19374,Clc1ccc(Cl)c(CCOc2cncc3nnc(-c4cnccc4-c4cncnc4)n23)c1,ASYDHFFAJPQRDW-UHFFFAOYSA-N,2,1,0.59,84,215,464.316,4.572,5,0.364,0.68,0.999,0.6933983277362757,0.7784507573161538,0.8064988691659242,0.8556130491398808,0.7834902508395587
EOS-2-19375,Clc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ncccn5)c4)n23)ccn1,CKAWMPNLTKKFSO-UHFFFAOYSA-N,2,1,0.598,35,325,464.316,4.572,5,0.34,0.68,1.0,0.9612860667534782,0.9763038859570968,0.6951888150229594,0.7577016654101844,0.8476201082859296
EOS-2-19376,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cnc1Cl,UWRSFMKTVVNTDD-UHFFFAOYSA-N,2,1,0.527,58,56,464.316,4.572,5,0.34,0.73,1.0,0.8744774175861832,0.915333082036872,0.6541275443766705,0.710232335001028,0.7885425947501885
EOS-2-19377,Clc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c1,CLIPIOFGNNMNMK-UHFFFAOYSA-N,2,1,0.448,18,157,464.316,4.572,5,0.34,0.72,1.0,0.6418254403399356,0.7162891508464122,0.6734973613871564,0.7550116510177507,0.6966559008978137
EOS-2-19378,Cc1cnc(COc2cncc3nnc(-c4cc(Cl)cnc4-c4ccc(Cl)cc4)n23)nc1,ZALBOIMZBQCBOW-UHFFFAOYSA-N,2,1,0.488,73,210,464.316,4.838,5,0.368,0.78,1.0,0.6964395860461928,0.7657888424371188,0.5685953670070591,0.6729919128229731,0.6759539270783359
EOS-2-19379,Cc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cccnc1Cl,LGSUKIMICAXJTL-UHFFFAOYSA-N,2,1,0.406,46,717,464.316,4.838,5,0.344,0.68,1.0,0.7271605784387636,0.619714207388116,0.7030532520046604,0.7447484750873826,0.6986691282297307
EOS-2-19380,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)c(Cl)c4)n23)ccn1,HQVOFRKVTPADEO-UHFFFAOYSA-N,2,1,0.595,35,202,464.316,4.572,5,0.34,0.66,1.0,0.8897265437598519,0.934420190528408,0.8200346103762594,0.8573949695017477,0.8753940785415667
EOS-2-19381,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)ccc1Cl,PIKJDROVYIKUEX-UHFFFAOYSA-N,2,1,0.478,16,401,464.316,4.838,5,0.344,0.76,1.0,0.6663097114659722,0.8409036392296622,0.7652491261736687,0.8005105887190734,0.7682432663970942
EOS-2-19382,Cc1nc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,ZPUJRABRGCCHML-UHFFFAOYSA-N,2,1,0.518,43,613,464.316,4.838,5,0.344,0.7,1.0,0.8966743197861695,0.7741929956822698,0.7055205263518607,0.7262182167089302,0.7756515146323075
EOS-2-19383,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)cc1,QBSXMEATOZJAHU-UHFFFAOYSA-N,2,1,0.523,44,130,464.316,4.572,5,0.34,0.73,1.0,0.8184497292851758,0.837451168528545,0.7104893427455281,0.7938026865876225,0.7900482317867179
EOS-2-19384,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)cc1,BBQVWWKJWJAOHA-UHFFFAOYSA-N,2,1,0.529,44,130,464.316,4.572,5,0.34,0.74,1.0,0.8387105064765952,0.8305976286752107,0.7005260091837434,0.782134534987321,0.7879921698307175
EOS-2-19385,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cn1,UUQXZNLUCLNWDS-UHFFFAOYSA-N,2,1,0.484,11,173,464.316,4.572,5,0.34,0.74,1.0,0.8027979576451237,0.9071773696114043,0.6427506682201357,0.7102409019258447,0.765741724350627
EOS-2-19386,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)nc1,WQSSXVNYJYXTCI-UHFFFAOYSA-N,2,1,0.506,87,307,464.316,4.572,5,0.364,0.65,1.0,0.756913508327051,0.7914210814885888,0.6706617092728394,0.75,0.7422490747721198
EOS-2-19387,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nn2)cc1,QSWHOHFVJGDLFT-UHFFFAOYSA-N,2,1,0.554,19,691,464.316,4.572,5,0.34,0.74,1.0,0.8914313617983689,0.8957833596052361,0.659918785552738,0.7656346377904187,0.8031920361866903
EOS-2-19388,Clc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cnc4Cl)n23)c1,QKYHJPDKIJKIHJ-UHFFFAOYSA-N,2,1,0.484,11,490,464.316,4.572,5,0.34,0.69,1.0,0.7569220752518676,0.7870519498320883,0.597483037488863,0.6936210677815091,0.708769532588582
EOS-2-19389,Clc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cccc(Cl)n5)ccn4)n23)c1,DYQDNYRWSHBTJV-UHFFFAOYSA-N,2,1,0.429,11,692,464.316,4.572,5,0.34,0.69,1.0,0.5878195462956617,0.6336782948392845,0.6007213350695634,0.701879583304777,0.6310246898773216
EOS-2-19390,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2)cc1,KTVBJKMQPAYZKE-UHFFFAOYSA-N,2,1,0.524,19,691,464.316,4.572,5,0.364,0.81,0.998,0.8702196559522993,0.857129394832431,0.6541361113014872,0.7775769309848537,0.7897655232677678
EOS-2-19391,Clc1cccc(Cl)c1CCOc1cncc2nnc(-c3cncc(-c4ccnnc4)c3)n12,GMZMRCCSXFZXAA-UHFFFAOYSA-N,2,1,0.554,84,884,464.316,4.572,5,0.364,0.68,1.0,0.759903365088068,0.7870605167569049,0.8086834349941745,0.8591683229387979,0.8037039099444863
EOS-2-19392,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)ccn4)n23)ccn1,KLBSCNVNZJDPAX-UHFFFAOYSA-N,2,1,0.471,18,578,464.316,4.572,5,0.34,0.71,1.0,0.7088016585566445,0.6873415118908917,0.7365413611130148,0.7914125145637722,0.7310242615310808
EOS-2-19393,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nc1,UEAOVNKELYKDBM-UHFFFAOYSA-N,2,1,0.418,11,692,464.316,4.572,5,0.34,0.76,1.0,0.6302515249126174,0.6197227743129327,0.5877681447467618,0.685088410664108,0.6307077136591049
EOS-2-19394,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)nc1,ZDKUJWHYCUJELI-UHFFFAOYSA-N,2,1,0.522,87,307,464.316,4.572,5,0.34,0.73,1.0,0.8479113837296964,0.9171492700980056,0.6706702761976561,0.7343996299088479,0.7925326399835515
EOS-2-19395,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)nc1,RDSXXTZRBCBQCU-UHFFFAOYSA-N,2,1,0.467,18,181,464.316,4.572,5,0.364,0.71,1.0,0.6786803509012405,0.6578370228222877,0.6706788431224727,0.7550202179425674,0.6905541086971421
EOS-2-19396,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnn5)n34)ccn2)cc1Cl,MCZFMDFBOFUTDK-UHFFFAOYSA-N,2,1,0.523,11,132,464.316,4.572,5,0.364,0.78,1.0,0.815656911794942,0.8374597354533616,0.6897231169899253,0.7775854979096704,0.7801063155369747
EOS-2-19397,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)n1,UYMDOAYHDINULE-UHFFFAOYSA-N,2,1,0.472,44,500,464.316,4.838,5,0.344,0.77,1.0,0.6964481529710095,0.702265094921527,0.6841888835583579,0.7526129120690837,0.7088787608799945
EOS-2-19398,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,MYMCLJUXYMVVBY-UHFFFAOYSA-N,2,1,0.442,11,157,464.316,4.572,5,0.34,0.8,1.0,0.6135545884449318,0.6873500788157083,0.6397265437598519,0.7210266602700295,0.6654144678226304
EOS-2-19399,Clc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)c1,KXTPNHNWFDOMKX-UHFFFAOYSA-N,2,1,0.506,18,752,464.316,4.572,5,0.364,0.71,1.0,0.6051504351997807,0.6578455897471044,0.7744414365019533,0.8274107326434104,0.7162120485230622
EOS-2-19400,Clc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)nn1,XUHQGPDSZRHKOE-UHFFFAOYSA-N,2,1,0.529,19,691,464.316,4.572,5,0.34,0.7,1.0,0.8387190734014118,0.8076725378658077,0.6038396957028305,0.7447570420121993,0.7487470872455623
EOS-2-19401,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)c(Cl)n3)n12,QGUPNOLQWFOQGB-UHFFFAOYSA-N,2,1,0.593,44,442,464.316,4.572,5,0.34,0.73,1.0,0.7887053663217052,0.8153656363511754,0.6735059283119731,0.757710232335001,0.7588217908299636
EOS-2-19402,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)c1,PDQYFCWODJDNRI-UHFFFAOYSA-N,2,1,0.552,35,490,464.316,4.572,5,0.364,0.72,1.0,0.870228222877116,0.905044205332054,0.7104979096703448,0.7867435405386882,0.8181284696045508
EOS-2-19403,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(Cl)c2)cn1,UTPXCVNQIUWJLR-UHFFFAOYSA-N,2,1,0.494,16,716,464.316,4.838,5,0.368,0.7,1.0,0.8106452607771915,0.8190665478719759,0.8007932972380234,0.817618737577959,0.8120309608662875
EOS-2-19404,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5Cl)n34)cc2)cn1,OWIWERVBKCYFBG-UHFFFAOYSA-N,2,1,0.506,16,716,464.316,4.838,5,0.368,0.72,1.0,0.7743643341786033,0.7914296484134056,0.7314440408470976,0.755028784867384,0.7630667020766226
EOS-2-19405,Clc1cncc(CCOc2cncc3nnc(-c4cnc(Cl)c(-c5ccccn5)c4)n23)c1,AEPUSYZKCARKFC-UHFFFAOYSA-N,2,1,0.485,35,76,464.316,4.572,5,0.34,0.68,1.0,0.8479199506545131,0.9093019669659379,0.6678774587074224,0.7447656089370159,0.7924662463162224
EOS-2-19406,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccnc(Cl)c5)c4)n23)cn1,ONEIOKZKOARUSZ-UHFFFAOYSA-N,2,1,0.524,35,76,464.316,4.572,5,0.34,0.66,1.0,0.7630645603454184,0.7829226920704544,0.7722654375985196,0.8135408813652252,0.7829483928449044
EOS-2-19407,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cn1,LRKOIDAMSXSRTM-UHFFFAOYSA-N,2,1,0.58,72,889,464.316,4.572,5,0.34,0.74,1.0,0.9593156740456446,0.9550065108628607,0.7079878006990611,0.7577187992598177,0.845007196216846
EOS-2-19408,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c1,WGJPZELEIDSDKE-UHFFFAOYSA-N,2,1,0.432,18,157,464.316,4.572,5,0.34,0.76,1.0,0.730347474470564,0.7394626824754986,0.7212751010897128,0.7867521074635049,0.7444593413748202
EOS-2-19409,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cc1,DQAASARZNUWLSV-UHFFFAOYSA-N,2,1,0.452,19,207,464.316,4.572,5,0.34,0.74,1.0,0.6567575902953876,0.752835652114317,0.6332413816736344,0.7629531903228017,0.7014469536015351
EOS-2-19410,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)c(Cl)c1,BRYNOYMNKSPFNS-UHFFFAOYSA-N,2,1,0.56,84,215,464.316,4.572,5,0.364,0.74,1.0,0.854730655883764,0.9208244808443561,0.7919093962031389,0.8314800219313275,0.8497361387156467
EOS-2-19411,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,VRUAKDGWGXODHB-UHFFFAOYSA-N,2,1,0.477,44,531,464.316,4.838,5,0.368,0.75,1.0,0.7088102254814612,0.6429305736412857,0.6735144952367899,0.7550373517922007,0.6950731615379344
EOS-2-19412,Clc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)c1,JBHLRDPGCLGTJV-UHFFFAOYSA-N,2,1,0.511,75,525,464.316,4.572,5,0.34,0.77,1.0,0.8878589541498184,0.8745716537591666,0.7314526077719142,0.7867606743883215,0.8201609725173051
EOS-2-19413,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cn1,BURUDXIKELXVMR-UHFFFAOYSA-N,2,1,0.568,72,628,464.316,4.572,5,0.34,0.74,1.0,0.8803885957096841,0.8979679254334864,0.692618737577959,0.7500085669248167,0.8052459564114866
EOS-2-19414,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2)cn1,GNUNXHMQUJMGAI-UHFFFAOYSA-N,2,1,0.494,15,922,464.316,4.572,5,0.34,0.69,1.0,0.9031680487972038,0.9245682269892399,0.6599273524775546,0.742418271537249,0.8075204749503119
EOS-2-19415,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)nc1,WVIHJFWEBWINQS-UHFFFAOYSA-N,2,1,0.544,75,525,464.316,4.572,5,0.34,0.71,1.0,0.8184582962099924,0.8690459872524159,0.6817044753615242,0.7424268384620657,0.7779088993214995
EOS-2-19416,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)cn1,QEPPUENKLDFVMD-UHFFFAOYSA-N,2,1,0.562,75,525,464.316,4.572,5,0.34,0.76,1.0,0.8932732506339525,0.8906603385648687,0.7365499280378316,0.7752038928106367,0.8239218525118224
EOS-2-19417,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,NXIJUDVJLBDDMO-UHFFFAOYSA-N,2,1,0.489,87,173,464.316,4.572,5,0.34,0.74,1.0,0.7148327736275787,0.8231101363854431,0.6926273045027757,0.7603060105544514,0.7477190562675622
EOS-2-19418,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)nn1,ZRDANGIQLSIBNW-UHFFFAOYSA-N,2,1,0.534,72,848,464.316,4.572,5,0.34,0.75,1.0,0.9332893564526078,0.9344287574532246,0.6217959701185662,0.6990267973408265,0.7971352203413063
EOS-2-19419,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nn2)cc1,UHGDUNUOTQHLTB-UHFFFAOYSA-N,2,1,0.478,19,691,464.316,4.572,5,0.364,0.75,0.931,0.8054280035638407,0.8479285175793297,0.6007299019943801,0.7316582139675142,0.7464361592762663
EOS-2-19420,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)c(Cl)c4)n23)nc1,YCTJCJCFAAWDTF-UHFFFAOYSA-N,2,1,0.557,72,141,464.316,4.572,5,0.364,0.71,1.0,0.8679408539510657,0.9071859365362209,0.695197381947776,0.7752124597354534,0.811384158042629
EOS-2-19421,Clc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)cn1,UDOWSZYUSZMYHR-UHFFFAOYSA-N,2,1,0.662,84,73,464.316,4.572,5,0.34,0.73,1.0,0.8822304845452676,0.9358765677472415,0.7184480159002125,0.7679905421150024,0.826136402576931
EOS-2-19422,Clc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)c1,JPSLSBXWLGNXTP-UHFFFAOYSA-N,2,1,0.505,87,307,464.316,4.572,5,0.34,0.68,1.0,0.7242478240010966,0.8443132753066959,0.7262524844081968,0.7938112535124392,0.7721562093071072
EOS-2-19423,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2)cc1,KYEGUAAGPHUTKS-UHFFFAOYSA-N,2,1,0.467,19,691,464.316,4.572,5,0.34,0.82,0.999,0.7743729011034199,0.8409122061544788,0.5686039339318758,0.7073367144129943,0.7228064389006922
EOS-2-19424,Clc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)c2)ccn1,AQQACIJLTINHRA-UHFFFAOYSA-N,2,1,0.449,18,160,464.316,4.572,5,0.34,0.63,1.0,0.7179511342608458,0.7022736618463437,0.6952059488725927,0.767999109039819,0.7208574635049003
EOS-2-19425,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)nc1,SYIQBANOTJUMEZ-UHFFFAOYSA-N,2,1,0.511,87,307,464.316,4.572,5,0.34,0.7,1.0,0.7483123158111165,0.8409207730792955,0.7212836680145295,0.7821431019121377,0.7731649647042698
EOS-2-19426,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5Cl)n34)ccn2)cn1,LBEHMGJLDHCPDZ-UHFFFAOYSA-N,2,1,0.512,59,577,464.316,4.838,5,0.368,0.78,1.0,0.7971009526420396,0.7440545541772325,0.8026951545473237,0.8111849770406415,0.7887589096018094
EOS-2-19427,Cc1cc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nc5)n4)n23)ccc1Cl,FVZXYIKVGQKRAC-UHFFFAOYSA-N,2,1,0.484,4,539,464.316,4.838,5,0.344,0.74,1.0,0.7303560413953807,0.8745802206839832,0.7105064765951614,0.7526214789939003,0.7670160544171063
EOS-2-19428,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)nc1,UHYGPBBJMOIUSG-UHFFFAOYSA-N,2,1,0.539,58,28,464.316,4.572,5,0.34,0.65,0.999,0.8590398190665479,0.8633147145500651,0.5284935919402372,0.6266791172640669,0.7193818107052292
EOS-2-19429,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)cc1,BRBVUSOQCNSLQS-UHFFFAOYSA-N,2,1,0.447,44,130,464.316,4.572,5,0.34,0.8,1.0,0.7303646083201973,0.7657974093619354,0.6127578644369817,0.7262267836337468,0.7087866664382153
EOS-2-19430,Cc1ncncc1-c1cc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)ccn1,BDSMQHULAGPRCM-UHFFFAOYSA-N,2,1,0.473,59,332,464.316,4.838,5,0.368,0.69,1.0,0.7540178877390172,0.6922160921115756,0.77445000342677,0.8047340826536906,0.7563545164827634
EOS-2-19431,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)cc1,YELFBDLOILRCJE-UHFFFAOYSA-N,2,1,0.453,44,130,464.316,4.572,5,0.364,0.71,0.993,0.7179597011856624,0.7571876499211843,0.6485761770954698,0.7629617572476184,0.7216713213624837
EOS-2-19432,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncc4Cl)n23)ccc1Cl,NFVUEORZCWOLPT-UHFFFAOYSA-N,2,1,0.523,16,817,464.316,4.838,5,0.368,0.73,1.0,0.8054365704886574,0.8745887876088,0.8524175861832637,0.8640600370091152,0.849125745322459
EOS-2-19433,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cc1,VWQLNCTXIMTFNK-UHFFFAOYSA-N,2,1,0.512,72,132,464.316,4.572,5,0.364,0.75,1.0,0.6996350490028099,0.8443218422315126,0.6485847440202864,0.7680076759646357,0.7401373278048111
EOS-2-19434,Clc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)c1,TYRKOWOOQKHFNE-UHFFFAOYSA-N,2,1,0.452,18,840,464.316,4.572,5,0.34,0.75,1.0,0.7242563909259132,0.6971078061818929,0.7212922349393461,0.7867692413131382,0.7323564183400726
EOS-2-19435,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cc1,JBDDRYCYMIATIA-UHFFFAOYSA-N,2,1,0.512,87,137,464.316,4.572,5,0.364,0.73,1.0,0.7088187924062779,0.8509697758892468,0.6572630388595709,0.7704064149133028,0.7468645055170996
EOS-2-19436,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ccnnc5)c4)n23)cn1,KFIMXAZUCNUASB-UHFFFAOYSA-N,2,1,0.598,35,202,464.316,4.572,5,0.34,0.66,1.0,0.9375299842368583,0.9647299705297786,0.8166164073744089,0.8556216160646974,0.8936244945514358
EOS-2-19437,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)c(Cl)c4)n23)cn1,RTZOUOHUUHPPIY-UHFFFAOYSA-N,2,1,0.602,35,202,464.316,4.572,5,0.34,0.66,1.0,0.8841580426290179,0.929699814954424,0.812975464327325,0.8488880131587965,0.8689303337673908
EOS-2-19438,Clc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2)c1,WSLUZYRZYSUGEI-UHFFFAOYSA-N,2,1,0.473,18,529,464.316,4.572,5,0.34,0.79,1.0,0.8156654787197588,0.8269309848536769,0.7184565828250291,0.7821516688369543,0.7858011788088548
EOS-2-19439,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)c4)n23)c1,NWTAMVBZEZOEEF-UHFFFAOYSA-N,2,1,0.571,35,325,464.316,4.572,5,0.364,0.68,1.0,0.9460883421287095,0.9428414776231924,0.6841974504831746,0.7550459187170173,0.8320432972380234
EOS-2-19440,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn1,PGLKMYTURHPNNP-UHFFFAOYSA-N,2,1,0.549,75,525,464.316,4.572,5,0.34,0.73,1.0,0.8567353162908642,0.8879446233979851,0.7466760331711328,0.786777808237955,0.8195334452744844
EOS-2-19441,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,LHXIHLBXIOYMJM-UHFFFAOYSA-N,2,1,0.489,72,132,464.316,4.572,5,0.364,0.74,1.0,0.7801041738057707,0.8306061956000275,0.5877767116715784,0.6962682475498595,0.723688832156809
EOS-2-19442,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cccc5Cl)n34)ccn2)cn1,CSUAFNAWAMVBAR-UHFFFAOYSA-N,2,1,0.494,24,332,464.316,4.838,5,0.368,0.67,1.0,0.6815845384140908,0.6971163731067096,0.7365584949626482,0.777594064834487,0.7232133678294839
EOS-2-19443,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,LYVRQHCGQMCXFE-UHFFFAOYSA-N,2,1,0.461,18,157,464.316,4.572,5,0.34,0.74,1.0,0.7483208827359331,0.7571962168460009,0.7341768898636145,0.7867863751627716,0.7566200911520801
EOS-2-19444,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)c2)cc1,JGLFCOVGIODISD-UHFFFAOYSA-N,2,1,0.466,18,503,464.316,4.572,5,0.364,0.78,1.0,0.6815931053389076,0.7658059762867521,0.6159019258446988,0.7316667808923308,0.6987419470906724
EOS-2-19445,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cc1,KPUFIUWWFSTDFY-UHFFFAOYSA-N,2,1,0.461,18,503,464.316,4.572,5,0.364,0.77,0.999,0.6905626756219587,0.7440631211020492,0.6007384689191968,0.7287882941539305,0.6910381399492838
EOS-2-19446,Clc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)c1,VMYQVSQHDDMVFO-UHFFFAOYSA-N,2,1,0.511,2,419,464.316,4.572,5,0.34,0.72,1.0,0.8106538277020081,0.8633232814748818,0.769858131725036,0.8216537591666095,0.8163722500171339
EOS-2-19447,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccn4)n23)cn1,LUUQIWNZWMPRAA-UHFFFAOYSA-N,2,1,0.506,58,56,464.316,4.572,5,0.34,0.61,1.0,0.9125059968473717,0.9372901103419916,0.5686125008566925,0.6557038585429374,0.7685281166472483
EOS-2-19448,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cc1,VARDLLSWMUOHBC-UHFFFAOYSA-N,2,1,0.512,11,801,464.316,4.572,5,0.364,0.73,1.0,0.7687529984236858,0.9131913508327051,0.6098708107737647,0.7235282023164965,0.7538358405866631
EOS-2-19449,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,LENCSIUEIZTSOM-UHFFFAOYSA-N,2,1,0.482,72,132,464.316,4.572,5,0.34,0.73,1.0,0.702547803440477,0.8190751147967925,0.6364025769309849,0.7344081968336645,0.7231084230004797
EOS-2-19450,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)cc2)n1,WRGQATUTSGANOT-UHFFFAOYSA-N,2,1,0.524,16,980,464.316,4.838,5,0.368,0.69,1.0,0.8658933589198822,0.8076811047906244,0.7559111781235008,0.784507573161538,0.8034983037488863
EOS-2-19451,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cn1,YNSUAPLAQHIYSB-UHFFFAOYSA-N,2,1,0.522,11,525,464.316,4.572,5,0.34,0.75,1.0,0.7773970255637036,0.8540795695976973,0.6514375299842369,0.7183109451031457,0.7503062675621959
EOS-2-19452,Clc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)c1,VYOFGMYCXCPMFH-UHFFFAOYSA-N,2,1,0.473,84,672,464.316,4.572,5,0.364,0.84,1.0,0.7422554999657323,0.8231187033102597,0.7836337468302378,0.8355835789185114,0.7961478822561853
EOS-2-19453,FC(F)Oc1ccc(-c2nnc3cncc(-c4cc(-c5nn[nH]n5)nn4C(F)(F)F)n23)cc1,PLHSZAFKSGPNPM-UHFFFAOYSA-N,2,1,0.469,66,542,464.318,2.913,5,0.394,0.71,0.993,0.39079740936193547,0.47472757179082997,0.8842265780275512,0.8157254471934754,0.6413692515934479
EOS-2-19454,CC(c1cc(-c2ccccc2Cl)cc(F)n1)c1cncc2nnc(-c3ccc(Cl)cc3)n12,WQDCUTWAWCIAAL-UHFFFAOYSA-N,2,1,0.444,83,461,464.331,6.451,5,0.287,0.69,1.0,0.44242169830717565,0.7022822287711603,0.9736138715646632,0.9814269069974642,0.7749361764101158
EOS-2-19455,O=[N+]([O-])c1cc(-c2nnc3cncc(-c4cccnc4Oc4ccc(F)c(F)c4)n23)ccc1F,DJKMPRNSMGTCKL-UHFFFAOYSA-N,2,1,0.406,45,533,464.363,4.971,5,0.267,0.76,1.0,0.5993591940237133,0.5618017956274416,0.8819820437255843,0.7914210814885888,0.708641028716332
EOS-2-19456,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC(F)F)cn5)n34)cc2)n1,BPJXWVBPVCXDLO-UHFFFAOYSA-N,2,1,0.624,1,640,464.407,4.568,5,0.326,0.53,1.0,0.8822390514700843,0.942850044548009,0.9293828387362073,0.8914913302720855,0.9114908162565964
EOS-2-19457,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cn4)n23)cc1,WRKYAKPGRPGFSO-UHFFFAOYSA-N,2,1,0.696,1,640,464.407,4.726,5,0.359,0.78,1.0,0.8897351106846686,0.8879531903228017,0.9623654992803783,0.9133027208553218,0.9133391302857927
EOS-2-19458,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1cccnc1,DPOXBFHBEXDXKX-UHFFFAOYSA-N,2,1,0.691,1,996,464.407,4.568,5,0.349,0.8,1.0,0.9031766157220205,0.960617846617778,0.9202419299568227,0.8888441505037352,0.9182201357000892
EOS-2-19459,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)nn1,LSQQACNGECBMHD-UHFFFAOYSA-N,2,1,0.714,1,431,464.407,4.568,5,0.349,0.78,1.0,0.9486584195737098,0.9568226989239943,0.9415564389006922,0.914536358028922,0.9403934788568296
EOS-2-19460,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1ccc(F)nc1,TXJMKEJSPHCBEB-UHFFFAOYSA-N,2,1,0.478,97,83,464.407,4.253,5,0.347,0.57,1.0,0.945197381947776,0.8906689054896855,0.9374186142142417,0.8928963059420191,0.9165453018984306
EOS-2-19461,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)nc1,WUPQKIFKFMQAPN-UHFFFAOYSA-N,2,1,0.714,1,805,464.407,4.568,5,0.349,0.81,1.0,0.9870639435268316,0.9706668494277294,0.9347800013707079,0.9020629154958536,0.9486434274552806
EOS-2-19462,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(OC(F)F)c5)nn4)n23)cc1,SKOVMPBPLVMGEB-UHFFFAOYSA-N,2,1,0.586,1,372,464.407,4.568,5,0.349,0.8,1.0,0.895115139469536,0.959769721060928,0.922375094236173,0.9056438900692207,0.9207259612089644
EOS-2-19463,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2F)n[nH]1,QGAGDYKRHGOEDO-UHFFFAOYSA-N,2,1,0.663,88,781,464.407,3.58,5,0.413,0.77,1.0,0.9486669864985265,0.8540881365225139,0.9081454321156878,0.8996898773216366,0.9026476081145912
EOS-2-19464,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)ccc(F)c5F)n34)cc2)n[nH]1,LXHPHGUSJDPFHS-UHFFFAOYSA-N,2,1,0.534,91,273,464.407,3.58,5,0.386,0.64,1.0,0.9375385511616751,0.8374683023781784,0.8911572202042355,0.877655746693167,0.885954955109314
EOS-2-19465,FC(F)(F)Oc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccnnc4)cc3)n12,TYUSFJDPJXXGNN-UHFFFAOYSA-N,2,1,0.573,1,431,464.407,4.726,5,0.359,0.65,1.0,0.9247909670344733,0.8658847919950654,0.9780258378452471,0.9464138852717429,0.9287788705366321
EOS-2-19466,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)c1,QWYRLWIAMDJZHD-UHFFFAOYSA-N,2,1,0.651,1,640,464.407,4.568,5,0.349,0.78,1.0,0.8361918305804948,0.9486755534233432,0.9213984648070729,0.9044616544445206,0.902681875813858
EOS-2-19467,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cn1,XPLLJJOZPBTTTQ-UHFFFAOYSA-N,2,1,0.658,1,996,464.407,4.568,5,0.326,0.79,1.0,0.9741278870536633,0.956831265848811,0.9477674593927764,0.9145449249537386,0.9483178843122474
EOS-2-19468,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(OC(F)F)cc5)ccn4)n23)cn1,ZZANDGPHOBWVMF-UHFFFAOYSA-N,2,1,0.539,97,153,464.407,4.568,5,0.326,0.81,1.0,0.8932818175587691,0.8571379617572477,0.9441864848194093,0.9189226235350558,0.9033822219176204
EOS-2-19469,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)cn1,VTYGVXDLBNHDSF-UHFFFAOYSA-N,2,1,0.654,97,91,464.407,4.568,5,0.326,0.7,1.0,0.9710266602700295,0.9587159893084778,0.9592043040230279,0.9338205057912412,0.9556918648481941
EOS-2-19470,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1ccncn1,IXZHNBXTPAMSKA-UHFFFAOYSA-N,2,1,0.5,59,383,464.407,4.253,5,0.347,0.65,1.0,0.9737166746624631,0.9245767939140566,0.9441950517442259,0.8942156123637859,0.9341760331711328
EOS-2-19471,Fc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1ccccc1,AOROJEOAFPFBHE-UHFFFAOYSA-N,2,1,0.662,1,640,464.407,4.568,5,0.349,0.74,1.0,0.9713950380371462,0.9713522034130628,0.8615070934137482,0.8395500651086286,0.9109510999931465
EOS-2-19472,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(Oc5c(F)cccc5F)nc4)n23)c1,BOZUSLFVPZWASI-UHFFFAOYSA-N,2,1,0.505,88,490,464.407,4.412,5,0.353,0.63,1.0,0.8659019258446988,0.9263758481255568,0.8524261531080803,0.8195976972106093,0.8660754060722363
EOS-2-19473,Fc1ncccc1-c1cnccc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,HKSXSAKSHVKTGF-UHFFFAOYSA-N,2,1,0.638,97,996,464.407,4.568,5,0.326,0.73,1.0,0.9806130491398808,0.9669830717565623,0.9527448427112604,0.9242084161469399,0.9561373449386608
EOS-2-19474,COc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccc2F)cn1,OPEWRENQUBVLIU-UHFFFAOYSA-N,2,1,0.541,59,607,464.407,4.253,5,0.371,0.67,1.0,0.9681653073812624,0.9208330477691727,0.9202504968816394,0.8776643136179837,0.9217282914125146
EOS-2-19475,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)nc2F)c(F)c1,GLKHHAQWCZCQCA-UHFFFAOYSA-N,2,1,0.43,11,275,464.407,3.993,5,0.38,0.63,0.996,0.8132324720718251,0.7994739908162566,0.8086920019189912,0.8090518127612912,0.807612569392091
EOS-2-19476,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)cc5)nc4)n23)ccn1,AJQFZSPKIQJONL-UHFFFAOYSA-N,2,1,0.571,1,996,464.407,4.568,5,0.326,0.8,1.0,0.946850798437393,0.9387379206360085,0.9477760263175931,0.919899252964156,0.9383159995887876
EOS-2-19477,COc1cc(-c2nnc3cncc(OCc4ccncn4)n23)ccc1-c1ccc(F)c(F)c1F,URYRVXZBYLSKQB-UHFFFAOYSA-N,2,1,0.484,59,83,464.407,4.253,5,0.347,0.67,1.0,0.8966828867109862,0.8906774724145021,0.9366047563566582,0.8862226715098348,0.9025469467479953
EOS-2-19478,COc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)c(F)c1,WTAQQQWMMWKZSZ-UHFFFAOYSA-N,2,1,0.478,97,71,464.407,4.253,5,0.347,0.6,1.0,0.8702367898019328,0.8879617572476184,0.9099873209512713,0.8689431841546159,0.8842822630388596
EOS-2-19479,Fc1cc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccc1-c1cccnn1,XVORUALZCOVRGQ-UHFFFAOYSA-N,2,1,0.734,1,431,464.407,4.568,5,0.349,0.77,1.0,0.9790110341991639,0.9736995408128298,0.9560345418408608,0.9338290727160579,0.9606435473922281
EOS-2-19480,Fc1ccc(OCc2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)nc2)cc1,CZEORCFZWGDIJB-UHFFFAOYSA-N,2,1,0.43,59,469,464.407,4.157,5,0.358,0.77,1.0,0.7716057843876362,0.7700294702213694,0.9050527722568706,0.8761993694743335,0.8307218490850524
EOS-2-19481,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)cc1,UJMMSBZMNGLPKG-UHFFFAOYSA-N,2,1,0.662,1,640,464.407,4.568,5,0.349,0.8,1.0,0.9477417586183263,0.9757470358440135,0.909995887876088,0.8888527174285519,0.930584349941745
EOS-2-19482,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1-c1cnccn1,MZXPIOKJJBVZKN-UHFFFAOYSA-N,2,1,0.75,97,996,464.407,4.568,5,0.349,0.74,1.0,0.9856932355561647,0.9787197587553972,0.9582448084435611,0.9347628675210746,0.9643551675690494
EOS-2-19483,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)cc1,DDWKZEOACFWMHW-UHFFFAOYSA-N,2,1,0.617,1,431,464.407,4.726,5,0.359,0.81,1.0,0.9517767802069769,0.9111952573504215,0.9739479816325132,0.9407768487423754,0.9444242169830718
EOS-2-19484,COc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)cn2)c1F,WKDGGYXSNOGFKE-UHFFFAOYSA-N,2,1,0.517,59,109,464.407,4.253,5,0.371,0.74,1.0,0.9208673154684395,0.9112038242752382,0.9274895483517237,0.8874991433075183,0.9117649578507299
EOS-2-19485,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccn2)cn1,LIVHZPYYQNLAFI-UHFFFAOYSA-N,2,1,0.65,1,996,464.407,4.568,5,0.326,0.79,1.0,0.9675998903433624,0.9606264135425947,0.9501833321910766,0.9199078198889726,0.9495793639915016
EOS-2-19486,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)nc1,XJERTLHNAWLYDI-UHFFFAOYSA-N,2,1,0.753,1,996,464.407,4.568,5,0.349,0.8,1.0,0.972791446782263,0.9606349804674115,0.9274981152765404,0.8929048728668357,0.9384573538482627
EOS-2-19487,Fc1ccc(-c2ccnnc2COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,DWDAQVATIJCRSK-UHFFFAOYSA-N,2,1,0.671,1,640,464.407,4.568,5,0.349,0.77,1.0,0.8878675210746351,0.9597782879857446,0.9340518127612912,0.9189311904598725,0.9251572030703858
EOS-2-19488,N#Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)no1,XOBGSNHJCSHTDH-UHFFFAOYSA-N,2,1,0.42,56,425,464.409,1.867,6,0.378,0.6,1.0,0.5289048043314372,0.4975841272016997,0.08082036872044411,0.0710283736549928,0.29458441847714345
EOS-2-19489,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)c(F)n5)n34)cn2)cn1,WUQWQNGGPLIZDG-UHFFFAOYSA-N,2,1,0.484,87,282,464.411,3.386,5,0.352,0.68,0.999,0.8784439037763004,0.9131999177575217,0.6485933109451032,0.5690665478719759,0.7523259200877253
EOS-2-19490,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(C(F)(F)F)nc5)nc4)n23)nc1,RNZFYHJHJSOZJL-UHFFFAOYSA-N,2,1,0.506,27,69,464.411,3.945,5,0.385,0.68,1.0,0.8184668631348091,0.8113648824617915,0.8311887464875608,0.6472825714481529,0.7770757658830786
EOS-2-19491,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cn5)n34)c2)cn1,UFRHWJMYRFAHJG-UHFFFAOYSA-N,2,1,0.494,2,419,464.411,3.945,5,0.385,0.68,1.0,0.5289133712562538,0.648207799328353,0.9308906175039408,0.8235727503255431,0.7328961346035227
EOS-2-19492,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4cncc(C(F)F)n4)c3)n12,SEHQUEIHFQFIGA-UHFFFAOYSA-N,2,1,0.533,75,530,464.411,3.737,5,0.359,0.65,1.0,0.8264255362894936,0.8341100678500446,0.7604944829004181,0.6850969775889246,0.7765317661572203
EOS-2-19493,FC(F)(F)Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)nc1,KPXISKXTWYTIIU-UHFFFAOYSA-N,2,1,0.473,27,69,464.411,3.722,5,0.375,0.66,0.994,0.6508035775478035,0.7162977177712289,0.8888441505037352,0.7776026317593037,0.7583870193955178
EOS-2-19494,Cc1ncnc(-c2ccc(F)cc2)c1-c1nnc2cncc(OCc3cnc(C(F)F)cn3)n12,JPHHKKQOJLOXOE-UHFFFAOYSA-N,2,1,0.456,27,343,464.411,4.002,5,0.371,0.71,1.0,0.607951819614831,0.7484151189089164,0.6486018778699199,0.5967205811801796,0.6504223493934617
EOS-2-19495,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)cc2F)n1,ZBMAIIKTTMRECI-UHFFFAOYSA-N,2,1,0.495,37,141,464.411,3.386,5,0.377,0.7,1.0,0.9510657254471935,0.922734905078473,0.6458604619285861,0.6059214584332808,0.7813956377218834
EOS-2-19496,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2)cn1,DGJFVSHQHOHZKW-UHFFFAOYSA-N,2,1,0.557,54,411,464.411,3.679,5,0.375,0.76,1.0,0.7914467822630389,0.7572047837708177,0.8509098074155301,0.7102494688506613,0.777452710575012
EOS-2-19497,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cc2)cc1F,QBQYVGRBKLVJCC-UHFFFAOYSA-N,2,1,0.667,57,853,464.422,5.636,5,0.306,0.74,1.0,0.9941830580494826,0.9947056404632993,0.9870639435268316,0.9896768555959153,0.9914073744088823
EOS-2-19498,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)cc2)cc1,HQADWAJPPASVIW-UHFFFAOYSA-N,2,1,0.699,57,497,464.422,5.636,5,0.241,0.76,1.0,0.9954423959975327,0.9968730724419163,0.9882376122267151,0.989685422520732,0.992559625796724
EOS-2-19499,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)c1,BOTDIAXDCBJKJC-UHFFFAOYSA-N,2,1,0.628,79,138,464.422,6.195,5,0.291,0.82,1.0,0.9880405729559317,0.9819152217120143,0.997704064149133,0.9972585840586663,0.9912296107189363
EOS-2-19500,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5C(F)(F)F)n34)cc2)cc1,FURNZMWUNYUDAV-UHFFFAOYSA-N,2,1,0.649,83,23,464.422,6.195,5,0.291,0.84,1.0,0.9870725104516482,0.9860701802480981,0.9970958124871496,0.9962048523062161,0.991610838873278
EOS-2-19501,Fc1ccc(-c2ccccc2-c2nnc3cncc(OCc4ccccc4C(F)(F)F)n23)cc1,MYPWZECPJQPSSS-UHFFFAOYSA-N,2,1,0.562,79,650,464.422,6.195,5,0.291,0.78,1.0,0.9525135357412103,0.962245562332945,0.9961962853813995,0.9947570420121993,0.9764281063669386
EOS-2-19502,Fc1cccc(-c2ccccc2COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,GQGSOAXDNOHSFI-UHFFFAOYSA-N,2,1,0.568,79,640,464.422,6.195,5,0.291,0.83,1.0,0.9893941470769653,0.9832088273593311,0.9971043794119663,0.9965303954492495,0.9915594373243779
EOS-2-19503,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)cc1F,VJCGBZDEAQNLDR-UHFFFAOYSA-N,2,1,0.824,57,853,464.422,5.636,5,0.306,0.71,1.0,0.9970187101637996,0.9968816393667329,0.9897710917688987,0.9917157837022822,0.9938468062504283
EOS-2-19504,CC(Oc1cncc2nnc(-c3cccc(-c4ccc(F)c(F)c4)c3)n12)c1ccc(F)c(F)c1,RBSLNGCZJDFQNQ-UHFFFAOYSA-N,2,1,0.684,57,853,464.422,6.155,5,0.293,0.75,0.999,0.9486755534233432,0.9529504489068604,0.9958364745390994,0.9970701117126997,0.9736331471455006
EOS-2-19505,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nccnn5)cn4)n23)c(-c2ccc(F)nn2)n1,GEVKOSBFCDEESP-UHFFFAOYSA-N,2,1,0.284,86,719,464.428,2.4,6,0.379,0.57,0.883,0.30770680556507435,0.3219536015351929,0.09271126036597903,0.11469398944554862,0.20926641422794873
EOS-2-19506,COc1cc(-c2nnc3cncc(OCCCc4ccc(F)cc4F)n23)ccc1-c1ncon1,QPMAGZMDJQPUSI-UHFFFAOYSA-N,2,1,0.506,91,313,464.432,4.14,5,0.316,0.72,1.0,0.8951237063943527,0.7440716880268659,0.6678860256322391,0.6026488931533137,0.7274325783016928
EOS-2-19507,CCOc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)c1,LUXGGTHQTCFPEG-UHFFFAOYSA-N,2,1,0.474,92,860,464.436,3.818,5,0.341,0.71,1.0,0.3517664998971969,0.4528133781097937,0.6599359194023713,0.46871359056952916,0.4833073469947228
EOS-2-19508,COc1nc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1-c1ccnn1C,WKLGCJPQSZEUHS-UHFFFAOYSA-N,2,1,0.429,49,501,464.436,2.89,5,0.362,0.65,1.0,0.48808340758001506,0.32644267013912687,0.39383010074703584,0.2944966074977726,0.37571319649098756
EOS-2-19509,COc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)ccc1-c1nncn1C,NRVZYNYKUQFILL-UHFFFAOYSA-N,2,1,0.552,36,375,464.436,3.507,5,0.36,0.69,1.0,0.5622729764923583,0.39371873072441915,0.6486104447947365,0.4530275512302104,0.5144074258104311
EOS-2-19510,OCCn1cc(-c2nc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccc2F)cn1,GTHLMVXZOJKQLV-UHFFFAOYSA-N,2,1,0.4,31,477,464.436,2.337,5,0.372,0.63,0.997,0.515497566993352,0.2708690288534028,0.31182749640189156,0.3354036734973614,0.35839944143650193
EOS-2-19511,COc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)n(C)n4)n23)n1,CQKXUHXYASARMA-UHFFFAOYSA-N,2,1,0.442,95,998,464.436,2.89,5,0.362,0.71,1.0,0.44455486258652593,0.2917894592557056,0.38647967925433485,0.3416232609142622,0.36611181550270716
EOS-2-19512,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1-c1cncn1C,RJUAWJFMTFSBLM-UHFFFAOYSA-N,2,1,0.42,49,814,464.436,2.89,5,0.339,0.6,0.927,0.5652799671030087,0.4080340620930711,0.38283873620725106,0.27669453772873687,0.4082118257830169
EOS-2-19513,COc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ncnn1C(C)C,ZYNSLWUKHXGUFI-UHFFFAOYSA-N,2,1,0.402,13,251,464.436,4.105,5,0.37,0.65,0.911,0.4330152148584744,0.41284867384003837,0.3564611746967309,0.2649492838050853,0.3668185868000823
EOS-2-19514,COc1cc(-c2nnc3cncc(OCC(F)(F)c4ccccn4)n23)ccc1-c1cnnn1C,MDHPKGXSHABNNP-UHFFFAOYSA-N,2,1,0.469,15,638,464.436,3.161,5,0.362,0.65,1.0,0.46329072716057845,0.5020903296552669,0.7698666986498527,0.5461842916866562,0.5703580117880886
EOS-2-19515,COc1cncc(COc2cncc3nnc(-c4ccc(-c5cnn(CC(F)F)c5)nc4)n23)c1,BSQNWSWUSIQART-UHFFFAOYSA-N,2,1,0.418,92,468,464.436,3.298,5,0.345,0.77,1.0,0.37954047015283393,0.41749194709067233,0.6364111438558016,0.4687221574943458,0.47554142964841345
EOS-2-19516,COc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2C)cc1F,OJCMXIOTWQUARK-UHFFFAOYSA-N,2,1,0.43,95,235,464.436,2.89,5,0.362,0.7,0.86,0.39526934411623604,0.25025700774450005,0.3639572339113152,0.2945051744225893,0.3259971900486601
EOS-2-19517,CCOc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1nnc(C)n1C,GZWKOUVTLKKLAA-UHFFFAOYSA-N,2,1,0.392,13,251,464.436,3.759,5,0.374,0.68,0.998,0.4057895277911041,0.42190391337125627,0.2354190939620314,0.22627818518264683,0.3223476800767596
EOS-2-19518,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1cnc(CO)c(F)c1,SAHHFPQLBQSKLN-UHFFFAOYSA-N,2,1,0.416,95,235,464.436,2.374,5,0.39,0.63,0.924,0.3930333767390857,0.22489034336234665,0.34893084778287986,0.34818552532382974,0.32876002330203546
EOS-2-19519,COc1ccc(-c2cn(C)nn2)cc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,QDGZDFKAVJWEKR-UHFFFAOYSA-N,2,1,0.432,27,69,464.436,3.507,5,0.36,0.71,1.0,0.41695223082722227,0.4262816119525735,0.7055290932766775,0.49897196902199986,0.5119337262696183
EOS-2-19520,COc1cncc(CCOc2cncc3nnc(-c4cc(F)c(-c5cncn5C)cc4F)n23)n1,QUWFOEOZQRIDCP-UHFFFAOYSA-N,2,1,0.452,20,279,464.436,2.89,5,0.362,0.61,1.0,0.6537934343088205,0.49264101158248236,0.48700397505311493,0.3902319923240354,0.5059176033171133
EOS-2-19521,COc1nc(-c2nnc3cncc(OCCc4cnn(C(F)F)c4)n23)ccc1-c1cccnc1,SGGDQVVAKRAEES-UHFFFAOYSA-N,2,1,0.417,49,773,464.436,3.47,5,0.344,0.65,1.0,0.4783342471386471,0.34606092796929616,0.5004968816393668,0.35769481187033103,0.42064671715441027
EOS-2-19522,Cn1nc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1-c1ccc(OC(F)F)cc1,WUYCOHCXHRVCFY-UHFFFAOYSA-N,2,1,0.567,95,835,464.436,3.205,5,0.345,0.76,0.997,0.4424302652319923,0.49759269412651636,0.5183931875813858,0.47186621890206293,0.4825705914604893
EOS-2-19523,CCOc1nc(OCC(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,IPULQLYTASVLDM-UHFFFAOYSA-N,2,1,0.31,61,697,464.436,3.681,5,0.37,0.65,1.0,0.5080614762524844,0.3937272976492358,0.5350815571242546,0.3930933452128024,0.45749091905969436
EOS-2-19524,Cc1cc(-c2nnc3cncc(OCc4nnn(COC(F)F)n4)n23)ccc1-c1ccccc1,HALNKNARRSKJOD-UHFFFAOYSA-N,2,1,0.457,43,431,464.436,3.529,5,0.343,0.65,0.753,0.4015317661572202,0.46185148379137825,0.40109485299157016,0.4371616064697416,0.42540992735247757
EOS-2-19525,Fc1cnc(-c2cnc(F)c(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2)nc1,XXRPRVHOZNTXHT-UHFFFAOYSA-N,2,1,0.298,30,301,464.439,4.651,6,0.351,0.75,1.0,0.3229130971146597,0.3986018778699198,0.6926358714275923,0.7370896443012817,0.5378101226783634
EOS-2-19526,Fc1cccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)c1F,SBAWCUXNPCVNJG-UHFFFAOYSA-N,2,1,0.313,30,737,464.439,4.651,6,0.375,0.73,1.0,0.2949420875882393,0.3986104447947365,0.7156894661092454,0.7938198204372559,0.5507654547323693
EOS-2-19527,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)cn5)n34)nc2)nc1,FGXHPMIOAHPLIT-UHFFFAOYSA-N,2,1,0.306,32,20,464.439,4.651,6,0.351,0.76,1.0,0.3026523199232404,0.4308135151805908,0.7722740045233363,0.7867949420875883,0.573133695428689
EOS-2-19528,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cc(F)ccn6)n5)n34)cc2)cc1,FKQVTNNZIQQXMN-UHFFFAOYSA-N,2,1,0.392,3,186,464.439,4.651,6,0.375,0.71,0.996,0.307715372489891,0.52478411349462,0.7515506133918168,0.827419299568227,0.6028673497361388
EOS-2-19529,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccc(F)n6)cn5)n34)cc2)nc1,MXLRVGSDRKTAMX-UHFFFAOYSA-N,2,1,0.351,32,594,464.439,4.651,6,0.351,0.66,1.0,0.3725070248783497,0.48806627373038175,0.7466846000959496,0.7704149818381194,0.5944182201357001
EOS-2-19530,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccccn5)n4)n23)c(F)c1,PUCLBVNRJGNEFE-UHFFFAOYSA-N,2,1,0.385,30,186,464.439,4.651,6,0.375,0.62,0.941,0.3132324720718251,0.497601261051333,0.7184651497498458,0.7983774244397231,0.5819190768281818
EOS-2-19531,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)c(F)cc1-c1ccncc1,XHVXFIULUOVLLM-UHFFFAOYSA-N,2,1,0.333,42,596,464.439,4.651,6,0.375,0.64,1.0,0.32549174148447674,0.47937084504146393,0.8457867863751628,0.8488965800836132,0.6248864882461791
EOS-2-19532,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccccn6)n5)n34)c(F)c2)c1,YUTPRIPMDJZHKV-UHFFFAOYSA-N,2,1,0.358,3,186,464.439,4.651,6,0.375,0.66,0.999,0.2781423480227537,0.492649578507299,0.7213008018641628,0.8047426495785073,0.5742088444931808
EOS-2-19533,Fc1cncc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)c2)c1,WIRKIBHCBKBFGZ-UHFFFAOYSA-N,2,1,0.31,3,787,464.439,4.651,6,0.351,0.59,1.0,0.36325474607634844,0.4219124802960729,0.8220735384826263,0.8453413062846961,0.613145517784936
EOS-2-19534,Fc1ccc(F)c(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccnnc5)cn4)n23)c1,UHIGXVAQXLAHAU-UHFFFAOYSA-N,2,1,0.354,32,572,464.439,4.651,6,0.375,0.63,1.0,0.3077239394147077,0.39861901171955316,0.8109536700705915,0.8375882393256117,0.588721215132616
EOS-2-19535,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)cn5)n34)cn2)nc1,HPNDMNIXHYFXIG-UHFFFAOYSA-N,2,1,0.333,32,191,464.439,4.651,6,0.375,0.67,1.0,0.3356092796929614,0.4572596120896443,0.7898104996230553,0.8111935439654582,0.5984682338427798
EOS-2-19536,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6F)cn5)n34)nc2)nc1,CLYIRKBYXCPXFF-UHFFFAOYSA-N,2,1,0.355,32,20,464.439,4.651,6,0.375,0.76,1.0,0.3356178466177781,0.4441693509697759,0.7079963676238777,0.7577273661846343,0.5613777328490165
EOS-2-19537,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccc(F)nn6)n5)n34)cc2)c1,XBUYPVSQGLAFBN-UHFFFAOYSA-N,2,1,0.333,32,270,464.439,4.651,6,0.375,0.68,1.0,0.34509286546501267,0.4355681584538414,0.7236995408128298,0.757735933109451,0.5655241244602837
EOS-2-19538,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cn2)cc1F,ZBKGTAJZRKHWGE-UHFFFAOYSA-N,2,1,0.312,32,977,464.439,4.651,6,0.375,0.7,1.0,0.3632633130011651,0.4793794119662806,0.7814748817764375,0.7938283873620725,0.604486498526489
EOS-2-19539,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccc(F)cn6)c5)n34)nn2)cc1,RMLDSPFZXRAZDM-UHFFFAOYSA-N,2,1,0.316,32,572,464.439,4.651,6,0.375,0.69,0.993,0.2542920293331506,0.3795747378521006,0.7792389143992873,0.8296209992461107,0.5606816702076622
EOS-2-19540,Fc1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)c(F)c2)n1,SYZGKTBHSINHPM-UHFFFAOYSA-N,2,1,0.354,69,30,464.439,4.651,6,0.375,0.68,1.0,0.3473459666917963,0.4834401343293811,0.8046741141799739,0.8296295661709273,0.6162724453430196
EOS-2-19541,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccncc6)cn5)n34)cn2)cc1F,RHHHXJCDTZVDRH-UHFFFAOYSA-N,2,1,0.338,32,72,464.439,4.651,6,0.375,0.72,1.0,0.31324103899664174,0.4834487012541978,0.8294924953738606,0.8395586320334453,0.6164352169145364
EOS-2-19542,Fc1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)cc1,GKMAZMNNNGFCMI-UHFFFAOYSA-N,2,1,0.38,3,950,464.439,4.651,6,0.375,0.72,1.0,0.347354533616613,0.4880748406551984,0.7605030498252348,0.8255003084092934,0.605358183126585
EOS-2-19543,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)ccc2F)cn1,FPYHOUZIXWVZSM-UHFFFAOYSA-N,2,1,0.342,38,983,464.439,4.651,6,0.351,0.7,1.0,0.36327187992598176,0.47938797889109724,0.7365670618874649,0.7447741758618326,0.5810002741415942
EOS-2-19544,Fc1cc(-c2cccnc2F)ncc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,WCWRMAZLGUAXSF-UHFFFAOYSA-N,2,1,0.329,42,171,464.439,4.651,6,0.351,0.67,1.0,0.31819272154067574,0.4661520800493455,0.8569066547871976,0.8556301829895141,0.6242204098416833
EOS-2-19545,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cc(F)c(-c6ccccc6)cn5)n34)nc2)cn1,WZBGKOMMHWBOIO-UHFFFAOYSA-N,2,1,0.342,32,20,464.439,4.651,6,0.375,0.66,0.992,0.31043108765677474,0.3937358645740525,0.7442258926735659,0.7776111986841203,0.5565010108971284
EOS-2-19546,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccc6F)nc5)n34)cn2)nc1,UORBERDBTIQAON-UHFFFAOYSA-N,2,1,0.316,32,191,464.439,4.651,6,0.375,0.7,1.0,0.3403553560413954,0.48345726817901447,0.8008018641628402,0.815734014118292,0.6100871256253855
EOS-2-19547,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)cc1,WMTKMJNQEAZJBG-UHFFFAOYSA-N,2,1,0.325,64,449,464.439,4.651,6,0.351,0.7,0.861,0.30773250633952437,0.4033736549928038,0.7005345761085601,0.7656432047152354,0.5443209855390309
EOS-2-19548,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)cc5F)n34)cc2)c1,RDRCGIYRFLCENU-UHFFFAOYSA-N,2,1,0.375,3,192,464.439,4.651,6,0.375,0.69,1.0,0.33562641354259476,0.4793965458159139,0.8457953532999795,0.8776728805428003,0.6346227983003221
EOS-2-19549,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)cc1F,SFQALPUHTFCCPQ-UHFFFAOYSA-N,2,1,0.305,32,301,464.439,4.651,6,0.375,0.69,1.0,0.32292166403947636,0.3937444314988692,0.7390343362346652,0.7845161400863546,0.5600541429648414
EOS-2-19550,CCn1nc(-c2cncnc2C)nc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,LPIBVQDMRNGZBK-UHFFFAOYSA-N,2,1,0.408,92,185,464.44,3.08,5,0.358,0.63,0.954,0.29753786580768965,0.3749657323007333,0.08814508943869509,0.07501199369474333,0.20891517031046536
EOS-2-19551,COc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5)n34)cn2)cn1,OLDABZMCEYOECY-UHFFFAOYSA-N,2,1,0.437,41,870,464.445,4.099,6,0.355,0.75,1.0,0.4905164142279487,0.29179802618052225,0.4589387293537112,0.32256185319717634,0.39095375573983965
EOS-2-19552,Oc1cccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)no4)n23)cc1,VORJCWZNAQHADX-UHFFFAOYSA-N,2,1,0.489,28,120,464.445,3.583,6,0.389,0.63,1.0,0.3657562881228154,0.37958330477691726,0.18988588856144198,0.17797786306627372,0.2783008361318621
EOS-2-19553,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nccnn6)no5)n34)nc2)n1,XCWSOBSWRGBWPB-UHFFFAOYSA-N,2,1,0.427,6,843,464.449,2.976,6,0.359,0.63,0.671,0.43518264683709135,0.27606915221712014,0.11042766088684805,0.09308820505791242,0.228691916249743
EOS-2-19554,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnc(C)o6)nn5)n34)cc2)nn1,SESRZAPVAJNIAR-UHFFFAOYSA-N,2,1,0.384,67,424,464.449,3.497,6,0.37,0.66,1.0,0.442438832156809,0.3219621684600096,0.10782331574258104,0.08209684051812761,0.23858028921938182
EOS-2-19555,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)no1,WNKVIXXGWMKPNV-UHFFFAOYSA-N,2,1,0.413,6,857,464.449,2.976,6,0.359,0.65,1.0,0.29754643273250636,0.2502655746693167,0.03919368103625523,0.05357754780344048,0.1601458090603797
EOS-2-19556,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cn2)n1,SSYQNKBSCRYIMU-UHFFFAOYSA-N,2,1,0.447,6,843,464.449,2.976,6,0.359,0.53,1.0,0.435191213761908,0.31194743334932495,0.1702933315057227,0.12386916592419984,0.2603252861352889
EOS-2-19557,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)no1,IFICGFQNFPPLEF-UHFFFAOYSA-N,2,1,0.5,80,8,464.449,2.976,6,0.359,0.67,1.0,0.5055342334315674,0.3986275786443698,0.12461448838324996,0.10983654307449797,0.2846532108834213
EOS-2-19558,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5nnn(-c6ccccc6)n5)n34)cc2)n[nH]1,OGJGFHNPDZYJPY-UHFFFAOYSA-N,2,1,0.411,77,288,464.449,2.096,6,0.392,0.64,0.86,0.3451014323898293,0.24537386059899938,0.10524467137276403,0.12387773284901651,0.20489942430265232
EOS-2-19559,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cc[nH]n6)n5)n34)cc2)n[nH]1,VWVBALFBIXDNAI-UHFFFAOYSA-N,2,1,0.392,40,763,464.449,2.301,6,0.378,0.55,1.0,0.4330237817832911,0.34084367075594546,0.24619628538139948,0.21765985881707903,0.3094308991844288
EOS-2-19560,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6conn6)n5)n34)ccn2)cn1,CJVOPVCQGVZBLW-UHFFFAOYSA-N,2,1,0.478,6,597,464.449,2.976,6,0.359,0.56,1.0,0.2567850044548009,0.17398567610170654,0.1576571174011377,0.1192258926735659,0.17691342265780274
EOS-2-19561,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)no1,PDMNXHYHNJWWPU-UHFFFAOYSA-N,2,1,0.448,56,621,464.449,2.976,6,0.359,0.68,1.0,0.48313172503598106,0.3700825851552327,0.15766568432595435,0.11704132684531561,0.2819803303406209
EOS-2-19562,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cc2)o1,VJCATOLALVLBRM-UHFFFAOYSA-N,2,1,0.432,56,350,464.449,2.976,6,0.359,0.65,1.0,0.4169607977520389,0.3311202110890275,0.18005962579672402,0.12805839215955042,0.2640497566993352
EOS-2-19563,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nn5)n34)cn2)no1,LKPONLQWABBBNV-UHFFFAOYSA-N,2,1,0.457,6,826,464.449,2.976,6,0.359,0.62,0.992,0.40154033308203685,0.22991912822973065,0.09998457953532999,0.08737406620519499,0.2047045267630731
EOS-2-19564,Oc1cc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)n4)n23)ccc1-c1cccnc1,RORJVGSHKYYHRD-UHFFFAOYSA-N,2,1,0.474,40,609,464.449,2.713,6,0.376,0.56,0.994,0.3610359125488315,0.3219707353848263,0.26063155369748475,0.24101329586731546,0.2961628743746145
EOS-2-19565,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnccn6)n5)n34)cc2)no1,PCODEGATSFYSIY-UHFFFAOYSA-N,2,1,0.444,80,277,464.449,2.976,6,0.359,0.58,1.0,0.44244739908162567,0.3170019189911589,0.1272873689260503,0.09704612432321294,0.24594570283051195
EOS-2-19566,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cn2)no1,OFEKWAXSXHPBQR-UHFFFAOYSA-N,2,1,0.434,6,984,464.449,2.976,6,0.359,0.6,1.0,0.35410527037214723,0.3170104859159756,0.08815365636351176,0.06920361866904257,0.2071182578301693
EOS-2-19567,COc1cc(-c2nnc3cncc(Oc4ccc(-c5cncnc5)nc4)n23)ccc1-c1nc[nH]n1,AVMKFAVKIQBIDU-UHFFFAOYSA-N,2,1,0.378,56,868,464.449,3.229,6,0.39,0.67,1.0,0.4351997806867247,0.2968525118223562,0.36758104310876566,0.2467788362689329,0.33660304297169485
EOS-2-19568,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cc2)n1,SHHQLIAVUNSCPC-UHFFFAOYSA-N,2,1,0.436,80,355,464.449,2.976,6,0.359,0.64,1.0,0.43303234870810775,0.3408522376807621,0.17691556438900694,0.12595092865465013,0.26918776985813175
EOS-2-19569,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncon6)n5)n34)cn2)cn1,WYBGBXGZUWIUSO-UHFFFAOYSA-N,2,1,0.448,80,34,464.449,2.976,6,0.359,0.62,1.0,0.3795490370776506,0.30674730998560756,0.11907168802686588,0.08738263313001166,0.2231876670550339
EOS-2-19570,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)no1,HWTNVXITFIQIOX-UHFFFAOYSA-N,2,1,0.489,40,8,464.449,2.976,6,0.359,0.68,1.0,0.3795576040024673,0.35073846891919674,0.05043348639572339,0.05648173531629087,0.2093028236584196
EOS-2-19571,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cc2)n1,QDDIJBBPENYJOI-UHFFFAOYSA-N,2,1,0.427,71,350,464.449,2.976,6,0.359,0.6,1.0,0.4216983071756562,0.32197930230964295,0.12462305530806661,0.09912788705366321,0.24185713796175723
EOS-2-19572,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6nnco6)n5)n34)cc2)nn1,VHFLJHHYCYATGO-UHFFFAOYSA-N,2,1,0.421,81,117,464.449,2.976,6,0.359,0.63,0.999,0.43520834761154137,0.34086080460557877,0.11627887053663218,0.09505003084092933,0.24684951339867042
EOS-2-19573,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)no1,JKQABPAVCCLHOS-UHFFFAOYSA-N,2,1,0.471,80,355,464.449,2.976,6,0.359,0.55,1.0,0.3994157357275033,0.3604447947364814,0.11043622781166472,0.095058597765746,0.24133883901034886
EOS-2-19574,Oc1cc(-c2nnc3cncc(OCc4nnn(-c5ccccc5)n4)n23)ccc1-c1cnccn1,KDELRRHDFALSHB-UHFFFAOYSA-N,2,1,0.406,40,288,464.449,2.509,6,0.391,0.58,0.998,0.23830614762524843,0.19541155506819272,0.11908025495168255,0.12388629977383318,0.1691710643547392
EOS-2-19575,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ncccn6)no5)n34)cc2)nn1,IDPGWVFTCKFMQL-UHFFFAOYSA-N,2,1,0.452,40,8,464.449,2.976,6,0.359,0.6,1.0,0.37956617092728395,0.37497429922555,0.05978856829552464,0.05236961140429031,0.21667466246316222
EOS-2-19576,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cnn2)nn1,TYZZZTSAEPOPEL-UHFFFAOYSA-N,2,1,0.489,71,2,464.449,2.976,6,0.359,0.64,1.0,0.5362466588993215,0.36045336166129804,0.12729593585086696,0.10747207182509766,0.2828670070591461
EOS-2-19577,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)c5)n34)cn2)n1,BUYFBRSSOXKHAU-UHFFFAOYSA-N,2,1,0.436,80,855,464.449,2.976,6,0.359,0.75,1.0,0.4541669522308272,0.28098656706188746,0.2036957713659105,0.15654341717497086,0.273848176958399
EOS-2-19578,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)o1,LDEROFMEHKBJKU-UHFFFAOYSA-N,2,1,0.433,56,621,464.449,2.976,6,0.359,0.67,1.0,0.4706154478788294,0.36046192858611475,0.17030189843053936,0.12389486669864985,0.28131853539853335
EOS-2-19579,Cc1cn(C)c(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cc2F)n1,XBOKRKXGFZYSDD-UHFFFAOYSA-N,2,1,0.563,88,70,464.451,4.539,5,0.369,0.61,1.0,0.8966914536358029,0.9025340963607703,0.8569152217120143,0.8314885888561442,0.8719073401411829
EOS-2-19580,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)cc2)cn1,MGDKEKTUEKOJBM-UHFFFAOYSA-N,2,1,0.562,1,138,464.451,5.273,5,0.342,0.76,1.0,0.562281543417175,0.6101106846686314,0.9777088616270304,0.9373500788157083,0.7718627921321362
EOS-2-19581,CCn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)cc2)n1,OQYKYMISCQURNY-UHFFFAOYSA-N,2,1,0.549,1,138,464.451,5.273,5,0.342,0.75,1.0,0.6600644232746213,0.6383301350147351,0.9706839832773627,0.9199163868137893,0.7972487320951271
EOS-2-19582,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)ccc(F)c5F)n34)cc2)n(C)n1,CQMREHCOBINCRG-UHFFFAOYSA-N,2,1,0.585,91,803,464.451,4.539,5,0.345,0.62,1.0,0.872472757179083,0.8409293400041121,0.8805599342060174,0.8395671989582619,0.8583823075868686
EOS-2-19583,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1F,GAAHSGORWQUYHD-UHFFFAOYSA-N,2,1,0.567,88,70,464.451,4.714,5,0.349,0.67,1.0,0.9152988143376054,0.8341186347748613,0.9039733397299705,0.8790607223631005,0.8831128778013844
EOS-2-19584,CCn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)cn1,GPPAQCOYEUGUFV-UHFFFAOYSA-N,2,1,0.562,1,138,464.451,5.273,5,0.342,0.76,1.0,0.62461448838325,0.6005928311973134,0.9780344047700638,0.9381639366732918,0.7853514152559797
EOS-2-19585,COc1nc(-c2nnn(C)n2)ncc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,DPSPTDTWKZIFQM-UHFFFAOYSA-N,2,1,0.322,98,761,464.453,1.904,6,0.368,0.71,1.0,0.17411417997395656,0.11481392639298198,0.03783153999040505,0.03280275512302104,0.08989060037009117
EOS-2-19586,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cnn2)nn1,GTJKTRHQLSWVHI-UHFFFAOYSA-N,2,1,0.473,71,415,464.453,2.106,6,0.385,0.63,1.0,0.5493711877184566,0.3749828661503667,0.07637413474059351,0.06401206223014187,0.2661850627098897
EOS-2-19587,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)n1,ZHYBPFLCFRMUCQ-UHFFFAOYSA-N,2,1,0.464,56,621,464.453,1.808,6,0.355,0.63,1.0,0.4470649715578096,0.24034507573161537,0.0833219107669111,0.06402062915495854,0.20868814680282366
EOS-2-19588,Cn1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)n1,YYFLEBMASREYBE-UHFFFAOYSA-N,2,1,0.424,71,197,464.453,1.808,6,0.355,0.67,1.0,0.435216914536358,0.26028887670481804,0.04853162908642314,0.04573881159618943,0.19744405798094716
EOS-2-19589,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,JUHOYWZPLYDPPS-UHFFFAOYSA-N,2,1,0.452,56,350,464.453,1.808,6,0.355,0.67,1.0,0.3156569117949421,0.2046809677198273,0.08333047769172777,0.07686244945514357,0.17013270166541017
EOS-2-19590,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncccn6)n5)n34)nn2)cn1,SGOMZLUOCMKWMQ-UHFFFAOYSA-N,2,1,0.343,80,816,464.453,1.808,6,0.355,0.61,0.993,0.2464104585018162,0.11781235007881571,0.04854019601123981,0.036991981358371596,0.11243874648756084
EOS-2-19591,Cn1cc(-c2cnc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cn2)cn1,UZXHCDFCENLXMO-UHFFFAOYSA-N,2,1,0.333,80,855,464.453,1.808,6,0.355,0.59,1.0,0.25430059625796725,0.11782091700363237,0.1052532382975807,0.07502056061956,0.13809882804468507
EOS-2-19592,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nn1,IWRIBPMEBXTMJL-UHFFFAOYSA-N,2,1,0.478,56,415,464.453,1.808,6,0.355,0.66,1.0,0.3864454115550682,0.20007196216846002,0.03382221917620451,0.03387362072510452,0.1635533034062093
EOS-2-19593,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cn2)nn1,WKDHSXLVLNIWQH-UHFFFAOYSA-N,2,1,0.376,6,816,464.453,1.808,6,0.355,0.62,0.998,0.2623963402097183,0.16173497361387157,0.06573401411829209,0.055076759646357346,0.13623552189705984
EOS-2-19594,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncccn5)n4)n23)cn1,DTIFWSOJCVEMFU-UHFFFAOYSA-N,2,1,0.4,80,34,464.453,1.808,6,0.355,0.66,1.0,0.34036392296621204,0.20008052909327667,0.026720238503186895,0.018821533822219176,0.1464965560962237
EOS-2-19595,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncccn6)cn5)n34)cc2)n1,KFGASTAYPCNALY-UHFFFAOYSA-N,2,1,0.473,56,8,464.453,1.808,6,0.355,0.59,1.0,0.3864539784798849,0.22992769515454733,0.04358851346720581,0.03281132204783771,0.17319537728736895
EOS-2-19596,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)nn5)n34)cn2)nn1,JTNCNHGFTNCYSZ-UHFFFAOYSA-N,2,1,0.406,71,502,464.453,1.901,6,0.356,0.66,0.989,0.15255123021040368,0.1577599204989377,0.05979713522034131,0.04706668494277294,0.1042937427181139
EOS-2-19597,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cccnn6)n5)n34)cc2)n1,COVRKEXBFTXYFN-UHFFFAOYSA-N,2,1,0.489,71,415,464.453,1.808,6,0.355,0.6,1.0,0.3795747378521006,0.21445582893564527,0.04359708039202248,0.035004454800904666,0.16815802549516826
EOS-2-19598,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)nn5)n34)cc2)n1,NMPQVXRRFJSCQC-UHFFFAOYSA-N,2,1,0.5,71,415,464.453,1.808,6,0.355,0.61,1.0,0.3748886299773833,0.2347251730518813,0.056096223699540815,0.049825234733739975,0.17888381536563636
EOS-2-19599,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cccnn6)n5)n34)cn2)cn1,XRKLPFOKTUEZQA-UHFFFAOYSA-N,2,1,0.38,71,502,464.453,1.808,6,0.355,0.59,1.0,0.29206360084983896,0.1954201219930094,0.06574258104310876,0.055085326571174015,0.15207790761428278
EOS-2-19600,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cnn1,FSFDHIDLLVLBIK-UHFFFAOYSA-N,2,1,0.374,80,421,464.453,1.808,6,0.355,0.59,0.905,0.3517750668220136,0.12488006305256664,0.06378075526009183,0.053586114728257146,0.1485054999657323
EOS-2-19601,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)no2)cc1,KVDCXIDUUKODTO-UHFFFAOYSA-N,2,1,0.543,12,492,464.46,5.226,6,0.333,0.79,1.0,0.6996436159276266,0.7116201768213282,0.6599444863271879,0.7073452813378109,0.6946383901034885
EOS-2-19602,Cc1nnc(-c2ccc(F)c(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)o1,LWLPZFVNAIKLPF-UHFFFAOYSA-N,2,1,0.461,21,107,464.46,5.748,6,0.321,0.77,1.0,0.7483294496607498,0.7914382153382222,0.7627904187512851,0.7474384894798163,0.7624991433075183
EOS-2-19603,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4F)cc3)n12,KHEABDVGKYOZKG-UHFFFAOYSA-N,2,1,0.356,93,538,464.46,5.323,6,0.341,0.74,1.0,0.644781029401686,0.6429391405661024,0.847328832842163,0.8135494482900418,0.7371496127749984
EOS-2-19604,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccnc5Oc5ccc(F)cc5)n34)cc2)o1,BZSOEBDVUZRQFU-UHFFFAOYSA-N,2,1,0.415,69,30,464.46,5.748,6,0.321,0.74,1.0,0.5622901103419916,0.657854156671921,0.7814834487012542,0.7235367692413132,0.68129112123912
EOS-2-19605,Fc1cccc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,KSPSIOFBVKUIRD-UHFFFAOYSA-N,2,1,0.529,12,994,464.46,5.226,6,0.333,0.77,1.0,0.9234031252141731,0.8190836817216092,0.832859296826811,0.8216623260914262,0.8492521074635049
EOS-2-19606,Fc1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,BDVDXDATCSDGIZ-UHFFFAOYSA-N,2,1,0.578,12,994,464.46,5.226,6,0.333,0.71,1.0,0.9452059488725927,0.8603848262627647,0.8409893084778288,0.8274278664930437,0.8685019875265574
EOS-2-19607,Fc1ccc(-c2nnco2)cc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,JKSLNBQPFKNWJN-UHFFFAOYSA-N,2,1,0.524,12,994,464.46,5.226,6,0.333,0.73,1.0,0.9194623397985059,0.8153742032759921,0.8425913234185457,0.8314971557809608,0.8522312555685011
EOS-2-19608,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncco6)cc5)n34)nc2)c1,REMVPGWDZNNYGZ-UHFFFAOYSA-N,2,1,0.477,12,427,464.46,5.226,6,0.333,0.79,1.0,0.7540264546638339,0.5662994311561922,0.8046826811047906,0.7845247070111713,0.727383318483997
EOS-2-19609,Fc1ccc(-c2nnc(-c3ccc(COc4cncc5nnc(-c6ccccc6)n45)cc3)o2)cc1,UBQFFKJERMUKKE-UHFFFAOYSA-N,2,1,0.671,12,897,464.46,5.226,6,0.333,0.78,1.0,0.9423017613597423,0.8774330066479337,0.7466931670207663,0.7344167637584813,0.8252111746967309
EOS-2-19610,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)cc5)n34)cc2)nc1,JKRPEWREAJPGAU-UHFFFAOYSA-N,2,1,0.597,12,427,464.46,5.226,6,0.333,0.68,1.0,0.942310328284559,0.7394712494003153,0.8425998903433624,0.8068415461585909,0.8328057535467068
EOS-2-19611,Fc1cccnc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c1,ZRKSQHORTNPLLW-UHFFFAOYSA-N,2,1,0.5,41,120,464.46,5.226,6,0.333,0.73,1.0,0.9452145157974093,0.7611370022616681,0.8065074360907408,0.777619765608937,0.8226196799396888
EOS-2-19612,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(-c6nnco6)c5)c4)n23)cc1,OCCWZKTUIRCIAQ-UHFFFAOYSA-N,2,1,0.61,12,994,464.46,5.226,6,0.333,0.72,1.0,0.9078284558974711,0.8603933931875813,0.8491450209032966,0.8395757658830786,0.8642356589678569
EOS-2-19613,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)cc2)cc1,PWSQIFMCQIBMSV-UHFFFAOYSA-N,2,1,0.612,12,994,464.46,5.226,6,0.333,0.73,1.0,0.9272239736824069,0.8509783428140635,0.852434720032897,0.8375968062504283,0.8670584606949489
EOS-2-19614,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(-c6ccccc6)o5)c4)n23)cc1,IUVSIXJGMIEXBI-UHFFFAOYSA-N,2,1,0.658,12,897,464.46,5.226,6,0.333,0.79,1.0,0.947750325543143,0.9001353574121034,0.7314611746967309,0.7262353505585635,0.8263955520526352
EOS-2-19615,Fc1cc(-c2nnc3cncc(OCc4cccnc4-c4ccoc4)n23)ccc1-c1cccnc1,SZRQGBWUGNLJNX-UHFFFAOYSA-N,2,1,0.512,41,78,464.46,5.226,6,0.333,0.71,1.0,0.8951322733191693,0.702290795695977,0.8166249742992255,0.7914296484134056,0.8013694229319444
EOS-2-19616,Fc1ccnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)c1,MBDCVZSJTSPWQC-UHFFFAOYSA-N,2,1,0.59,41,120,464.46,5.226,6,0.333,0.74,1.0,0.730373175245014,0.6578627235967377,0.8008104310876568,0.7704235487629361,0.7398674696730861
EOS-2-19617,Cc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cnc(C)s5)c4)n23)sn1,JQLVRAXUUIDWCR-UHFFFAOYSA-N,2,1,0.544,75,661,435.538,4.005,5,0.398,0.6,1.0,0.4706240148036461,0.37009115208004933,0.06575114796792543,0.05237817832910698,0.23971112329518196
EOS-2-19618,CCc1nc(-c2nnc3cncc(OCc4cc(C)ns4)n23)ccc1-c1cscn1,SMIXBANTONVPSR-UHFFFAOYSA-N,2,1,0.506,46,690,435.538,4.216,5,0.394,0.58,0.988,0.2543091631827839,0.18672469330409155,0.054245767939140564,0.041943663902405594,0.1343058220821054
EOS-2-19619,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)ccn1,WYQABKNBTBXUBJ-UHFFFAOYSA-N,2,1,0.495,40,763,464.464,4.357,6,0.365,0.66,1.0,0.6632855870056884,0.6482163662531698,0.7442344595983825,0.6936296347063258,0.6873415118908917
EOS-2-19620,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,SITNNDVZECNJLA-UHFFFAOYSA-N,2,1,0.523,77,190,464.464,4.357,6,0.39,0.77,1.0,0.8932903844835858,0.642947707490919,0.7652576930984853,0.7316753478171476,0.7582927832225345
EOS-2-19621,Fc1ccc(-c2cncnc2)cc1COc1cncc2nnc(-c3ccc(-c4ncc[nH]4)cc3)n12,SJFFWSXLXGEHFY-UHFFFAOYSA-N,2,1,0.495,41,190,464.464,4.357,6,0.39,0.68,0.999,0.8932989514084024,0.6922246590363923,0.8046912480296073,0.760314577479268,0.7876323589884175
EOS-2-19622,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cn(-c6ccccc6)nn5)cn4)n23)cc1,LAGXRMGOUWYVQT-UHFFFAOYSA-N,2,1,0.539,77,177,464.464,4.152,6,0.365,0.73,1.0,0.3679322870262491,0.4794051127407306,0.6069580563360976,0.6090483859913646,0.5158359605236105
EOS-2-19623,Cc1ncc(-c2cc(C)c(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)o5)n34)cn2)nn1,SMSXUYIZEDFUHK-UHFFFAOYSA-N,2,1,0.287,76,693,464.464,4.721,6,0.369,0.69,1.0,0.23561613323281475,0.30164142279487355,0.5040093208142006,0.512893221849085,0.3885400246727435
EOS-2-19624,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)cc5)n34)cc2)c1,FEOQCQWKKZYNOD-UHFFFAOYSA-N,2,1,0.517,77,933,464.464,4.152,6,0.365,0.74,1.0,0.5337708176273045,0.43082208210540746,0.7490490713453499,0.7073538482626276,0.6052489548351724
EOS-2-19625,Cn1nc(-c2ccccc2)c(F)c1Oc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,OFTJKVDKDYWJAT-UHFFFAOYSA-N,2,1,0.419,12,553,464.464,4.58,6,0.368,0.75,1.0,0.5493797546432733,0.5478462751010897,0.4228548420259064,0.402234253992187,0.4805787814406141
EOS-2-19626,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(Oc5ccccc5F)cc4)n23)nc1,JXAFHQNDENKJJP-UHFFFAOYSA-N,2,1,0.361,3,787,464.464,4.58,6,0.368,0.8,1.0,0.28383935302583785,0.4485813172503598,0.6159104927695155,0.618086491672949,0.49160441367966556
EOS-2-19627,COc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)c1,GMMJFHLIDPWHPI-UHFFFAOYSA-N,2,1,0.333,10,608,464.464,4.249,6,0.376,0.73,1.0,0.23264341032143102,0.35074703584401346,0.6218045370433829,0.552609485299157,0.4394511171269961
EOS-2-19628,Cc1nc(C)c(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(-c2ccc(F)cc2)n1,GOPWBZMWEWRXDA-UHFFFAOYSA-N,2,1,0.342,9,340,464.464,4.721,6,0.369,0.66,1.0,0.30009080940305666,0.4219210472208896,0.4011034199163868,0.4341717497087246,0.38932175656226436
EOS-2-19629,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-n6cccn6)c5)n34)cc2)nn1,RGOVWDKBYQKBQD-UHFFFAOYSA-N,2,1,0.5,77,323,464.464,4.152,6,0.365,0.67,1.0,0.5622986772668083,0.47941367966554727,0.6789373586457406,0.6325902953875677,0.588310002741416
EOS-2-19630,Cc1ccc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(O)cc6)cc5)n34)nn2)n1,FUXGPQDIPOBAEF-UHFFFAOYSA-N,2,1,0.324,3,550,464.464,4.254,6,0.416,0.6,1.0,0.0329997943938044,0.3016499897196902,0.5316033856486876,0.565734014118292,0.3579967959701186
EOS-2-19631,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cn2)cc1,GSOVOSPUTKCMLI-UHFFFAOYSA-N,2,1,0.495,28,932,464.464,4.152,6,0.365,0.69,1.0,0.3702110890274827,0.4396974162154753,0.6486190117195532,0.6237920636008498,0.5205798951408402
EOS-2-19632,COc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)nn2)c1,SVGWPELGBNYSMB-UHFFFAOYSA-N,2,1,0.381,30,991,464.464,4.249,6,0.376,0.68,1.0,0.048702967582756496,0.28640943047083817,0.6188489479816325,0.6266876841888835,0.3951622575560277
EOS-2-19633,COc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c(F)c1,HWANZXYRVUPOII-UHFFFAOYSA-N,2,1,0.393,93,689,464.464,4.249,6,0.376,0.76,1.0,0.13603419916386814,0.39375299842368583,0.5078130354328011,0.5657425810431088,0.40083570351586595
EOS-2-19634,Cn1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c(F)c2)cn1,YJYDEUCYHZYCRN-UHFFFAOYSA-N,2,1,0.389,41,363,464.464,4.58,6,0.368,0.74,1.0,0.46584367075594546,0.457268179014461,0.6427592351449524,0.5847782879857446,0.5376623432252758
EOS-2-19635,COc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)n1,ZPYXGCIYGFIQTP-UHFFFAOYSA-N,2,1,0.372,93,689,464.464,4.249,6,0.376,0.81,1.0,0.16327702008087178,0.417500514015489,0.4970187101637996,0.5526180522239736,0.4076035741210335
EOS-2-19636,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(F)cc4Oc4ccccc4)n23)c1,UTYKURPPDCYFJK-UHFFFAOYSA-N,2,1,0.388,25,791,464.464,4.58,6,0.368,0.79,1.0,0.25431773010760056,0.3842094441779179,0.5486772668083065,0.6123209512713317,0.44988134809128916
EOS-2-19637,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6ccccc6)n5)n34)cc2)nc1,CGPHDAHLMGDMRY-UHFFFAOYSA-N,2,1,0.447,77,177,464.464,4.152,6,0.365,0.71,1.0,0.4658522376807621,0.4262901788773902,0.4935319717634158,0.5129017887739017,0.4746440442738674
EOS-2-19638,CCc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)nc2)no1,KIZMQYPKEIZXFA-UHFFFAOYSA-N,2,1,0.342,32,20,464.464,4.667,6,0.362,0.77,1.0,0.262404907134535,0.42629874580220684,0.35646974162154754,0.4119148790350216,0.3642720683983277
EOS-2-19639,Fc1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c1,MANLYSUDAMCEJS-UHFFFAOYSA-N,2,1,0.495,28,363,464.464,4.152,6,0.365,0.65,1.0,0.3541138372969639,0.40804262901788774,0.5813429511342608,0.5625299842368583,0.4765073504214927
EOS-2-19640,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(F)ccn6)c5)n34)cc2)cn1,JSNHJJJTHONAEX-UHFFFAOYSA-N,2,1,0.352,41,150,464.464,4.249,6,0.376,0.74,1.0,0.07173086148995957,0.33112877801384416,0.6763929819751902,0.6153108080323487,0.42364085737783563
EOS-2-19641,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cn4)n23)c1,HVBCDDXLEAKCRU-UHFFFAOYSA-N,2,1,0.404,11,891,464.464,3.952,6,0.365,0.51,0.791,0.6632941539305051,0.7116287437461449,0.46251113700226165,0.4989805359468165,0.5841036426564321
EOS-2-19642,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)cn2)cc1,IXXCXDRJBMIVPR-UHFFFAOYSA-N,2,1,0.44,28,529,464.464,4.152,6,0.365,0.8,1.0,0.3281046535535604,0.2918065931053389,0.6599530532520047,0.652851072578987,0.4831788431224727
EOS-2-19643,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-n6cccn6)n5)n34)cc2)cc1,XJBGRUYCELFTOU-UHFFFAOYSA-N,2,1,0.518,40,25,464.464,4.152,6,0.365,0.73,1.0,0.44707353848262626,0.5066050990336509,0.6098793776985814,0.6238006305256665,0.5468396614351312
EOS-2-19644,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)nc3)n12,LNGCSIXCJYEKLN-UHFFFAOYSA-N,2,1,0.442,28,177,464.464,4.152,6,0.365,0.71,1.0,0.4217068741004729,0.4308306490302241,0.6218131039681996,0.587733877047495,0.5155211260365979
EOS-2-19645,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ncccc5F)cc4)n23)nc1,URDVYEHZCQFIBZ-UHFFFAOYSA-N,2,1,0.394,41,318,464.464,4.58,6,0.368,0.67,1.0,0.6875728188609417,0.610119251593448,0.5974916044136797,0.5394078541566719,0.6086478822561853
EOS-2-19646,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cn5)n34)cc2)nc1,XQHIMBZYGUDKLC-UHFFFAOYSA-N,2,1,0.495,40,932,464.464,4.152,6,0.365,0.67,1.0,0.5568072784593242,0.4528219450346104,0.7030618189294771,0.6472911383729696,0.5899955451990953
EOS-2-19647,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)nc1,XWNKXEZMFDKRLJ-UHFFFAOYSA-N,2,1,0.4,41,318,464.464,4.58,6,0.368,0.69,1.0,0.6996521828524432,0.5812401480364608,0.6127664313617983,0.5561133575491741,0.6124430299499691
EOS-2-19648,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cc2)nc1,WTKPPSFVBRINKT-UHFFFAOYSA-N,2,1,0.506,77,2,464.464,4.152,6,0.365,0.73,1.0,0.581831265848811,0.43083921595504077,0.642767802069769,0.5997875402645466,0.5638064560345418
EOS-2-19649,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cn1,ISXWLXJXTCPNKI-UHFFFAOYSA-N,2,1,0.484,77,763,464.464,4.357,6,0.365,0.61,1.0,0.8524775546569804,0.662831539990405,0.7417243506270988,0.6821585223768076,0.7347979919128229
EOS-2-19650,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)cc1-c1cncnc1,KHOQLINDVBUIBV-UHFFFAOYSA-N,2,1,0.516,40,868,464.464,4.152,6,0.365,0.65,1.0,0.5005482831882667,0.5383369885545884,0.7537523130697005,0.7130080186416284,0.6264114008635461
EOS-2-19651,Cn1nc(-c2ccc(F)cn2)cc1Oc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,KQVSEINTZVBKHN-UHFFFAOYSA-N,2,1,0.404,77,120,464.464,4.58,6,0.368,0.68,1.0,0.5311236378589541,0.5428860256322391,0.5555650743609074,0.5259235144952368,0.5388745630868343
EOS-2-19652,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)c1,HPOKGJVGBMALEO-UHFFFAOYSA-N,2,1,0.522,41,763,464.464,4.357,6,0.39,0.69,1.0,0.7332430950585977,0.6383387019395518,0.7365756288122816,0.7018881502295936,0.7025113940100062
EOS-2-19653,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-n5cccn5)n34)nn2)cc1,DEXDKWRSHGACED-UHFFFAOYSA-N,2,1,0.457,77,177,464.464,4.152,6,0.365,0.77,1.0,0.3842094441779179,0.3460694948941128,0.5782160235761771,0.5997961071893633,0.47707276745939275
EOS-2-19654,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)cn1,VENCBZLPNTYYHJ-UHFFFAOYSA-N,2,1,0.5,41,763,464.464,4.357,6,0.365,0.65,1.0,0.6845658282502913,0.6336868617641012,0.7417329175519156,0.6905712425467754,0.6876392125282709
EOS-2-19655,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)cn1,LPIHXEHVZZUDSB-UHFFFAOYSA-N,2,1,0.506,40,932,464.464,4.152,6,0.342,0.64,1.0,0.39734253992186963,0.4080511959427044,0.6952145157974093,0.6443612500856692,0.5362423754369132
EOS-2-19656,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)ccn2)nc1,MCILKNKZHWYMDD-UHFFFAOYSA-N,2,1,0.489,77,763,464.464,4.357,6,0.39,0.67,1.0,0.9375471180864917,0.7440802549516825,0.7030703858542937,0.6614950997190049,0.7615482146528683
EOS-2-19657,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c2)cc1,NZZFJLMDFSOFKK-UHFFFAOYSA-N,2,1,0.473,40,868,464.464,4.152,6,0.365,0.65,0.999,0.4856504009320814,0.4794222465903639,0.7467017339455829,0.715646631485162,0.6068552532382976
EOS-2-19658,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cnc(C)o5)cn4)n23)c(-c2ccc(F)cc2)n1,LTXKDGCFXIXRNB-UHFFFAOYSA-N,2,1,0.333,32,321,464.464,4.721,6,0.369,0.7,1.0,0.34510999931464603,0.46616064697416215,0.4761839490096635,0.45608594338976083,0.43588513467205814
EOS-2-19659,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccncc6)cc5F)n34)cn2)cn1,QPDPFFZEPAKMLK-UHFFFAOYSA-N,2,1,0.461,41,870,464.464,4.58,6,0.368,0.71,1.0,0.4400743609074087,0.5663079980810088,0.7467103008703996,0.690579809471592,0.6109181173326023
EOS-2-19660,COc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cc1F,VQECDBAFUHUNBO-UHFFFAOYSA-N,2,1,0.319,9,834,464.464,4.453,6,0.402,0.66,1.0,0.44953224590500995,0.5066136659584676,0.7030789527791104,0.6295747378521006,0.5721999006236721
EOS-2-19661,COc1ncc(-c2cc(F)[nH]n2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,ZINGTJLFCDAFBX-UHFFFAOYSA-N,2,1,0.292,30,737,464.464,4.453,6,0.402,0.63,1.0,0.4147248303748886,0.4485898841751765,0.584666917963128,0.5625385511616751,0.502630045918717
EOS-2-19662,COc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)c(-c2ccccn2)n1,IWCAKKKLUUEWFA-UHFFFAOYSA-N,2,1,0.346,10,673,464.464,4.249,6,0.376,0.71,0.955,0.09630936878897951,0.3170190528407923,0.5350901240490713,0.5129103556987183,0.36533222534439036
EOS-2-19663,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)c1,AGUGMJPFQPURGN-UHFFFAOYSA-N,2,1,0.539,40,932,464.464,4.152,6,0.365,0.62,1.0,0.3886471112329518,0.38421801110273457,0.6599616201768214,0.6211363169076828,0.5134907648550476
EOS-2-19664,COc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)cc1F,OPFSVTJVRDTQML-UHFFFAOYSA-N,2,1,0.361,3,991,464.464,4.249,6,0.376,0.77,1.0,0.09631793571379618,0.2760777191419368,0.5846754848879446,0.5526266191487903,0.377424439723117
EOS-2-19665,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cc5)n34)nc2)ccn1,YDRBBMFINWVHQU-UHFFFAOYSA-N,2,1,0.4,28,933,464.464,4.152,6,0.342,0.72,1.0,0.46586080460557877,0.3311373449386608,0.7515591803166335,0.6936382016311425,0.5605488828730039
EOS-2-19666,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)cc1F,KNAAISAVFSZBGF-UHFFFAOYSA-N,2,1,0.352,9,834,464.464,4.453,6,0.402,0.76,1.0,0.4352254814611747,0.4747361387156466,0.7390429031594818,0.6821670893016243,0.5827929031594818
EOS-2-19667,CCn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,DRNDNRLDOGDUJP-UHFFFAOYSA-N,2,1,0.3,86,443,464.468,3.728,6,0.355,0.62,1.0,0.2051607155095607,0.2760862860667535,0.3754026454663834,0.3612415187444315,0.3044727914467823
EOS-2-19668,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5F)n34)nc2)n1,ZNHNASAMUPXHJG-UHFFFAOYSA-N,2,1,0.302,70,968,464.468,3.553,6,0.389,0.66,1.0,0.07992940853951065,0.22489891028716333,0.40111198684120347,0.3804399972585841,0.2715950757316154
EOS-2-19669,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cc2)[nH]1,OZNYRNBETFUHHW-UHFFFAOYSA-N,2,1,0.324,3,150,464.468,3.356,6,0.412,0.7,0.989,0.04709238571722295,0.14999828661503667,0.4696902199986293,0.44679082996367625,0.2783929305736413
EOS-2-19670,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)c(F)c2)n1C,IEBGUARBRKCANK-UHFFFAOYSA-N,2,1,0.333,9,642,464.468,3.553,6,0.389,0.71,1.0,0.24109039819066547,0.3067558769104242,0.33422143787266123,0.36776951545473235,0.31245930710712083
EOS-2-19671,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)c(F)c2)n1,PMYAAAYRUYVJNH-UHFFFAOYSA-N,2,1,0.302,98,314,464.468,3.553,6,0.389,0.65,1.0,0.21602357617709547,0.3219878692344596,0.3489394147076965,0.34819409224864645,0.30878623809197453
EOS-2-19672,Cc1c(F)cncc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5nnn(C)n5)cc4)n23)c1,PFBUZHXIZSSUPE-UHFFFAOYSA-N,2,1,0.295,42,725,464.468,3.553,6,0.389,0.58,1.0,0.23831471455006512,0.25536289493523406,0.44486327187992597,0.43717017339455827,0.3439277636899459
EOS-2-19673,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cncn6C)c5)n34)c(F)c2)nn1,UFCVIFOCTOTKMY-UHFFFAOYSA-N,2,1,0.314,98,424,464.468,3.553,6,0.389,0.64,0.953,0.18281817558769103,0.24035364265643205,0.4557004317730108,0.4279007607429237,0.32669325269001437
EOS-2-19674,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nncn6C)cc5F)n34)cc2)cn1,NZBBTYMNPWYYHA-UHFFFAOYSA-N,2,1,0.321,98,725,464.468,3.553,6,0.389,0.62,1.0,0.20803920224796107,0.2864179973956549,0.34490439311904597,0.34163182783907886,0.2952483551504352
EOS-2-19675,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)cc2)cc1F,IRBIBTYLUAVXGX-UHFFFAOYSA-N,2,1,0.291,98,303,464.468,3.553,6,0.389,0.68,1.0,0.18566239462682477,0.26555753546706873,0.360093550818998,0.367778082379549,0.2947728908231101
EOS-2-19676,Cc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)c(F)c5)n34)cn2)cn1,HGTMDJOOIAUQNT-UHFFFAOYSA-N,2,1,0.346,86,443,464.468,3.553,6,0.389,0.55,1.0,0.16328558700568843,0.29686107874717294,0.45570899869782744,0.41192344595983826,0.33194477760263175
EOS-2-19677,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)c(-c2ccc(F)cn2)n1,ZQBHPWOEONFOEB-UHFFFAOYSA-N,2,1,0.291,86,968,464.468,3.553,6,0.389,0.6,0.996,0.14401000616818588,0.25027414159413336,0.330306353231444,0.31939209101500926,0.2609956480021931
EOS-2-19678,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)c(F)c2)nn1,RSGOTVATUQHTDU-UHFFFAOYSA-N,2,1,0.321,98,314,464.468,3.553,6,0.389,0.67,1.0,0.19966074977725995,0.3119560002741416,0.3449129600438627,0.3482026591734631,0.3011830923171818
EOS-2-19679,CCn1cncc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cnccc5F)n4)n23)cc1,UCRQIEKCYGNKMF-UHFFFAOYSA-N,2,1,0.31,98,167,464.468,3.728,6,0.379,0.6,0.998,0.21335926255911178,0.28642656432047153,0.37147042697553284,0.39024055924885204,0.315374203275992
EOS-2-19680,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccc(F)c5)n34)nn2)nn1C,LSDWOXGNYWVLPW-UHFFFAOYSA-N,2,1,0.353,10,541,464.468,3.553,6,0.389,0.63,0.834,0.14665718593653623,0.2553714618600507,0.12730450277568364,0.1918477143444589,0.18029521622918238
EOS-2-19681,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ncc(F)cn6)nn5C)n34)cc2)nn1,AOSGONQKYOUZBF-UHFFFAOYSA-N,2,1,0.298,98,63,464.468,3.553,6,0.389,0.72,1.0,0.09632650263861284,0.19542868891782605,0.25358097457336715,0.2560482489205675,0.20034610376259337
EOS-2-19682,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cn5)n34)cc2)n(C)n1,HHQTVBSGHBKEKQ-UHFFFAOYSA-N,2,1,0.342,38,42,464.468,3.553,6,0.389,0.7,1.0,0.23562470015763143,0.2403622095812487,0.20731958056336097,0.20612877801384416,0.22235881707902133
EOS-2-19683,CCn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cn2)nn1,PSFKYKZHXWCANZ-UHFFFAOYSA-N,2,1,0.321,38,167,464.468,3.728,6,0.355,0.61,1.0,0.10113254746076349,0.20468953464464396,0.32660544171064354,0.3644541155506819,0.24922040984168325
EOS-2-19684,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)c(-c2ccc(F)cc2)n1,GQLDYKUFVSWRAL-UHFFFAOYSA-N,2,1,0.333,98,314,464.468,3.553,6,0.389,0.69,0.993,0.2326519772462477,0.31196456719895826,0.26406689054896854,0.3038688232472072,0.2781380645603454
EOS-2-19685,Cc1ncc(-c2nnc3cncc(-c4ncc(-c5cnn(C)c5)cn4)n23)c(-c2ccc(F)cc2)n1,AFBTVDVGTFTLKG-UHFFFAOYSA-N,2,1,0.341,42,967,464.468,3.553,6,0.389,0.71,1.0,0.13330135014735112,0.2195788499760126,0.31936639024055924,0.3287386059899938,0.2502462990884792
EOS-2-19686,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6n[nH]c(C)n6)cc5F)n34)cc2)n1,UUERMHWJYXDMDV-UHFFFAOYSA-N,2,1,0.281,42,167,464.468,3.851,6,0.417,0.64,1.0,0.22154067575902953,0.32199643615927626,0.3008275649372901,0.2914039476389555,0.2839421561236378
EOS-2-19687,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(=N)[nH]c5)cc4F)n23)cc1,LCVLKQQIRULTBD-UHFFFAOYSA-N,2,1,0.284,42,42,464.468,3.262,6,0.412,0.7,1.0,0.14119148790350217,0.20469810156946064,0.4870125419779316,0.4309077513535741,0.31595247070111715
EOS-2-19688,Cn1nc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)cc1CF,LLCDKPSRXUBTGG-UHFFFAOYSA-N,2,1,0.32,70,687,464.468,3.575,6,0.381,0.53,1.0,0.08900178192036187,0.10199780686724694,0.20732814748817766,0.22628675210746352,0.1561536220958125
EOS-2-19689,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)c(F)c1,MHSJUZSWHANYPB-UHFFFAOYSA-N,2,1,0.408,69,107,464.479,5.804,6,0.331,0.77,1.0,0.3356349804674114,0.4747447056404633,0.9332550887533411,0.9381725035981084,0.670451819614831
EOS-2-19690,Cn1nccc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1F,BLPIQNYHGSLVLR-UHFFFAOYSA-N,2,1,0.386,93,107,464.479,5.804,6,0.331,0.74,1.0,0.27534953053252004,0.3891611267219519,0.9366133232814748,0.9390377630045919,0.6350404358851347
EOS-2-19691,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(-c2ccc(F)c(F)c2)n1,WKYMVPDJMRYPRL-UHFFFAOYSA-N,2,1,0.367,93,107,464.479,5.804,6,0.331,0.76,1.0,0.2273233500102803,0.40805976286752105,0.9166266876841889,0.9314303337673908,0.6208600335823453
EOS-2-19692,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cn(C)c(=O)cc1F,VBILXLYFUOXYRJ-UHFFFAOYSA-N,2,1,0.478,16,591,464.482,3.34,5,0.38,0.61,1.0,0.6107446371050648,0.5478548420259064,0.57530326913851,0.4560945103145775,0.5474993146460146
EOS-2-19693,COc1cc(-c2nnc3cncc(OCc4ccc(F)s4)n23)ccc1-c1cnc(CO)cn1,JJVLULLOHYKUKD-UHFFFAOYSA-N,2,1,0.474,4,248,464.482,3.529,5,0.39,0.67,1.0,0.7452967582756493,0.7163062846960455,0.5813515180590775,0.4309163182783908,0.6184677198272908
EOS-2-19694,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)c2)cn1,QCMWERYTBMUTLA-UHFFFAOYSA-N,2,1,0.311,69,98,435.516,4.982,6,0.39,0.65,1.0,0.08205400589404427,0.08292783222534439,0.6627030361181551,0.6414656294976355,0.3672876259337948
EOS-2-19695,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)s2)cn1,NWCCROLAIQVIQZ-UHFFFAOYSA-N,2,1,0.264,30,195,435.516,5.076,6,0.386,0.73,1.0,0.0005911178123500789,0.004446233979850593,0.49024227263381537,0.489813926392982,0.2462733877047495
EOS-2-19696,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)cc4)n23)cc1,MJSKKXDHYJLLHF-UHFFFAOYSA-N,2,1,0.338,69,898,435.516,4.982,6,0.39,0.73,1.0,0.13604276608868482,0.11186690425604826,0.5215029812898362,0.4960506476595161,0.3163658248235214
EOS-2-19697,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nc2)n1,HWFQEDYUVOZGFN-UHFFFAOYSA-N,2,1,0.312,38,818,435.516,4.982,6,0.39,0.77,1.0,0.07364128572407648,0.09880234391062984,0.5909293400041121,0.5784301966965938,0.33545079158385305
EOS-2-19698,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3ccc(-c4cccs4)cc3)n12,ICUJXEHCVUPCJI-UHFFFAOYSA-N,2,1,0.382,93,474,435.516,4.982,6,0.39,0.81,1.0,0.10620416695223082,0.10866287437461448,0.2755894044273867,0.3960232335001028,0.2216199198135837
EOS-2-19699,Cc1csc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)n1,PCBFHEAENULENJ-UHFFFAOYSA-N,2,1,0.317,30,668,435.516,5.076,6,0.386,0.73,1.0,0.008241381673634432,0.0609965046946748,0.45894729627852787,0.4530361181550271,0.24530532520046605
EOS-2-19700,Cc1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(-c2cccs2)n1,CJTVLUYPRMPVQF-UHFFFAOYSA-N,2,1,0.279,30,195,435.516,5.076,6,0.386,0.71,0.55,0.01345007196216846,0.08639743677609485,0.39012918922623535,0.42167260640120624,0.22791232609142623
EOS-2-19701,Cn1cc(-c2nnc3cncc(-c4ccc(-c5cccs5)cn4)n23)c(-c2ccccc2)n1,KZBFNJGQLASHGB-UHFFFAOYSA-N,2,1,0.315,32,945,435.516,4.982,6,0.39,0.7,1.0,0.05344047700637379,0.07605715852237681,0.3864882461791515,0.4467993968884929,0.24069631964909877
EOS-2-19702,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)nc2)cn1,GLQIUWSNVKROEG-UHFFFAOYSA-N,2,1,0.306,38,714,435.516,4.982,6,0.39,0.74,1.0,0.07173942841477624,0.10867144129943115,0.6188575149064491,0.5967291481049962,0.3489993831814132
EOS-2-19703,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)nc2)cn1,LYOROURMJMFTSJ-UHFFFAOYSA-N,2,1,0.284,30,301,435.516,4.982,6,0.39,0.8,1.0,0.03837125625385512,0.05337194160784045,0.5078216023576178,0.522693783839353,0.2805646460146666
EOS-2-19704,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cc2)cn1,KLHSWXWFASSKOU-UHFFFAOYSA-N,2,1,0.324,69,30,435.516,4.982,6,0.39,0.74,1.0,0.06774724145020904,0.10529607292166404,0.6897316839147419,0.6615036666438215,0.3810696662326092
EOS-2-19705,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4cscn4)cc3)n12,ZOVBEISKPZBQSD-UHFFFAOYSA-N,2,1,0.295,69,220,435.516,4.982,6,0.39,0.75,1.0,0.03688061133575492,0.038568295524638474,0.3864968131039682,0.45943561099307795,0.2303453327393599
EOS-2-19706,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4)n23)cc1,QECNIGVAFJNTRI-UHFFFAOYSA-N,2,1,0.338,69,898,435.516,4.982,6,0.39,0.66,1.0,0.14401857309300253,0.11482249331779865,0.5753118360633267,0.5561219244739908,0.34756870673702966
EOS-2-19707,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cs1,XXGIEHLGIQIWKM-UHFFFAOYSA-N,2,1,0.317,30,668,435.516,5.076,6,0.386,0.75,1.0,0.013458638886985128,0.061005071619491466,0.5005054485641834,0.49284661777808236,0.2669539442121856
EOS-2-19708,CCOc1ncc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ncn2)cc1F,FKPNJMPAFCQHDH-UHFFFAOYSA-N,2,1,0.417,31,238,464.486,3.525,5,0.357,0.62,0.994,0.37489719690219997,0.412857240764855,0.14239085737783566,0.08552361044479474,0.25391722637242137
EOS-2-19709,COc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nnc(C)s5)c4)n23)n1,STDPWIKLDCUNEF-UHFFFAOYSA-N,2,1,0.506,20,125,464.486,3.177,5,0.358,0.75,1.0,0.6023404838599137,0.6383472688643684,0.12463162223288328,0.10341134946199712,0.36718268110479063
EOS-2-19710,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)cc2)o1,OBTTYEWYZWBMJI-UHFFFAOYSA-N,2,1,0.329,69,958,435.512,6.15,6,0.332,0.75,1.0,0.21336782948392846,0.20962408333904461,0.7792474813241039,0.755054485641834,0.48932346994722775
EOS-2-19711,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cnc(C)n6C)cn5)n34)cc2)o1,BOPHVZBMSXCUFQ-UHFFFAOYSA-N,2,1,0.367,41,303,464.489,4.651,6,0.363,0.64,1.0,0.4103214310191214,0.27087759577821946,0.3938386676718525,0.2440374203275992,0.32976877869919813
EOS-2-19712,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5ccon5)n4)n23)c1,IZCMEXJXOVCTFP-UHFFFAOYSA-N,2,1,0.455,28,218,464.489,4.304,6,0.344,0.63,0.999,0.2215492426838462,0.1540847097525872,0.34119491467342883,0.2707576588307861,0.24689663148516205
EOS-2-19713,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)cc5)n34)cc2)cn1,MXSIIYSIRXHFDG-UHFFFAOYSA-N,2,1,0.5,77,245,464.489,4.304,6,0.344,0.63,1.0,0.32054005894044274,0.2403707765060654,0.5078301692824344,0.4181430333767391,0.3717210095264204
EOS-2-19714,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5cocn5)n4)n23)c1,OETARVZFPDDYKV-UHFFFAOYSA-N,2,1,0.455,28,218,464.489,4.304,6,0.344,0.62,0.999,0.24919470906723323,0.16174354053868822,0.3527345624014804,0.27359331094510314,0.25931653073812627
EOS-2-19715,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)c2)n1C,ASZNXFUOYODZSC-UHFFFAOYSA-N,2,1,0.524,77,755,464.489,4.129,6,0.362,0.68,1.0,0.44008292783222536,0.21446439586046193,0.3193749571653759,0.2707662257556028,0.3111721266534165
EOS-2-19716,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nncn6C)c5)n34)cc2)o1,IDRDIHYEYFGESW-UHFFFAOYSA-N,2,1,0.517,77,755,464.489,4.129,6,0.362,0.71,1.0,0.4757556027688301,0.27609485299157016,0.41142656432047153,0.31646220272770886,0.36993480570214515
EOS-2-19717,Cc1c(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c(-c2ccccc2)nn1C,NABFNLJDTMDETE-UHFFFAOYSA-N,2,1,0.489,77,323,464.489,4.129,6,0.362,0.57,1.0,0.39942430265231993,0.3016585566445069,0.21748852032074567,0.1918562812692756,0.27760691522171205
EOS-2-19718,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n(C)n2)no1,ABRWHXUMHNLCPT-UHFFFAOYSA-N,2,1,0.464,12,285,464.489,4.129,6,0.362,0.71,1.0,0.38646254540470154,0.3557244191624974,0.18989445548625866,0.20002056061956,0.2830254951682544
EOS-2-19719,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)n6C)o5)n34)cn2)cc1,MTMTXZCMMSLPHA-UHFFFAOYSA-N,2,1,0.37,76,193,464.489,4.226,6,0.373,0.71,0.953,0.17412274689877322,0.1020063737920636,0.23542766088684805,0.19445205948872593,0.1765022102666027
EOS-2-19720,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6C)cc5)n34)cc2)o1,HPQCVDHUMQDPBO-UHFFFAOYSA-N,2,1,0.489,77,933,464.489,4.223,6,0.36,0.62,1.0,0.4470821054074429,0.2655661023918854,0.39768521691453634,0.2767031046535536,0.34675913234185457
EOS-2-19721,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4conc4-c4ccccc4)n23)cc1,SJKUCGGMEBBESA-UHFFFAOYSA-N,2,1,0.478,77,755,464.489,4.304,6,0.344,0.52,1.0,0.4424559660064423,0.229936262079364,0.2535895414981838,0.24404598725241589,0.29250693920910154
EOS-2-19722,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6nccc6C)cn5)n34)cc2)o1,LTAQGOMYXBDGNV-UHFFFAOYSA-N,2,1,0.511,40,932,464.489,4.223,6,0.36,0.69,1.0,0.2920721677746556,0.2864351312452882,0.37541121239120007,0.25280995133986706,0.3016821156877527
EOS-2-19723,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccoc5)cn4)n23)cc1,PJGCGHKARRKQBX-UHFFFAOYSA-N,2,1,0.535,40,25,464.489,4.304,6,0.344,0.59,1.0,0.3864711123295182,0.19082825029127545,0.35274312932629703,0.30387739017202386,0.3084799705297786
EOS-2-19724,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncoc6C)nc5)n34)cc2)n[nH]1,OSVAFIHZMDJWHQ-UHFFFAOYSA-N,2,1,0.517,40,2,464.489,4.427,6,0.384,0.59,0.999,0.5262147899390035,0.3408693715303954,0.390137756151052,0.282699952025221,0.384980467411418
EOS-2-19725,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,JEPMEQNBQVQVCT-UHFFFAOYSA-N,2,1,0.5,77,755,464.489,4.129,6,0.362,0.65,1.0,0.47333972997052975,0.3067644438352409,0.21749708724556233,0.20002912754437668,0.2994075971489274
EOS-2-19726,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6[nH]ncc6C)cn5)n34)cc2)o1,MNQZXHHADWQQOT-UHFFFAOYSA-N,2,1,0.506,40,25,464.489,4.427,6,0.384,0.63,1.0,0.4541755191556439,0.3986361455691865,0.46600644232746213,0.33541224042217804,0.41355758686861765
EOS-2-19727,CCc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cc2)no1,GCSBINGKBDFSPH-UHFFFAOYSA-N,2,1,0.5,77,933,464.489,4.168,6,0.346,0.81,1.0,0.4658693715303954,0.2655746693167021,0.27559797135220343,0.22629531903228017,0.30833433280789524
EOS-2-19728,Cc1nn(C)cc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)nc1,OKSYUYUXZVOCKL-UHFFFAOYSA-N,2,1,0.554,40,25,464.489,4.129,6,0.362,0.63,1.0,0.3403724898910287,0.2096326502638613,0.4557175656226441,0.32558597765746006,0.3328271708587486
EOS-2-19729,Cc1nn(C)cc1-c1nc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)no1,ZWUPYMGEMPHVML-UHFFFAOYSA-N,2,1,0.46,12,285,464.489,4.129,6,0.362,0.77,1.0,0.4080169282434377,0.2553800287848674,0.18006819272154068,0.18908916455349187,0.2581385785758344
EOS-2-19730,OCc1cnn(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cc2)c1,ZODDTSALPATUFV-UHFFFAOYSA-N,2,1,0.56,77,933,464.489,3.234,6,0.386,0.71,1.0,0.45418408608046057,0.2602974436296347,0.5909379069289288,0.48075011993694744,0.4465423891439929
EOS-2-19731,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,GHAWDYBWEFIZLT-UHFFFAOYSA-N,2,1,0.446,28,363,464.489,4.129,6,0.362,0.67,1.0,0.41032999794393804,0.2809951339867041,0.18332362415187445,0.15375916660955383,0.2571019806730176
EOS-2-19732,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)no2)n1C,MDTSNBNFRXSZME-UHFFFAOYSA-N,2,1,0.512,12,285,464.489,4.129,6,0.362,0.73,1.0,0.35178363374683025,0.2968696456719896,0.16093824960592146,0.18909773147830855,0.24967231512576246
EOS-2-19733,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccn(C)n6)cc5)n34)n2)cn1,JKWCQFXTVGDANR-UHFFFAOYSA-N,2,1,0.426,56,350,464.493,2.961,6,0.37,0.66,1.0,0.3229302309642931,0.26558323624151875,0.27134877664313617,0.1891062984031252,0.26224213556301834
EOS-2-19734,COc1cc(-c2cc(C)[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4n[nH]c(C)n4)cn3)n12,DLBKZWBGNFUDMG-UHFFFAOYSA-N,2,1,0.253,96,697,464.493,3.654,6,0.395,0.55,0.378,0.17138133095743951,0.09584675484887945,0.23923994243026522,0.15655198409978754,0.16575500308409294
EOS-2-19735,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ncccn6)nn5C)n34)cc2)n[nH]1,QFBZXLWFYQYMCG-UHFFFAOYSA-N,2,1,0.416,56,415,464.493,3.259,6,0.398,0.52,0.997,0.3702196559522994,0.29181516003015556,0.1609468165307381,0.11923445959838257,0.2355540230278939
EOS-2-19736,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccccc5)n4)n23)cc1,AGJWTSDZSYXIHX-UHFFFAOYSA-N,2,1,0.441,67,807,464.493,3.229,6,0.354,0.57,1.0,0.38647967925433485,0.2144729627852786,0.0927198272907957,0.09309677198272907,0.19669231032828452
EOS-2-19737,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n(C)n2)n1,JRWZASFKRWTLMO-UHFFFAOYSA-N,2,1,0.466,67,755,464.493,2.961,6,0.37,0.71,0.999,0.3307175656226441,0.3220050030840929,0.09741450209032966,0.12160749777259955,0.21793614214241658
EOS-2-19738,Cn1cc(COc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)c(-c2ccncc2)n1,IEVIFGVDWBBELL-UHFFFAOYSA-N,2,1,0.46,56,415,464.493,2.961,6,0.37,0.68,1.0,0.24349770406414914,0.14611746967308614,0.20370433829072715,0.16190631211020493,0.18880645603454183
EOS-2-19739,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnn(C)c6)n5)n34)cc2)n[nH]1,HLIMHUJWZVHPMW-UHFFFAOYSA-N,2,1,0.4,56,350,464.493,3.259,6,0.398,0.6,1.0,0.30536803509012406,0.25028270851895,0.29004180659310536,0.20893016242889453,0.2636556781577685
EOS-2-19740,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccn(C)n6)cn5)n34)cc2)n1,PQKBTOGLYTXNIB-UHFFFAOYSA-N,2,1,0.458,56,197,464.493,2.961,6,0.37,0.61,1.0,0.46089198821191146,0.3359862243848948,0.22122369954081283,0.14640874511685287,0.29112766431361803
EOS-2-19741,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cnnn6C)c5)n34)cc2)n1,DGUARBFCCQKXJX-UHFFFAOYSA-N,2,1,0.467,71,415,464.493,2.961,6,0.37,0.65,1.0,0.37022822287711604,0.22994482900418067,0.2713573435679528,0.20309608662874373,0.2686566205194983
EOS-2-19742,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)cc1,VPJIJLJIKMVHJQ-UHFFFAOYSA-N,2,1,0.479,56,415,464.493,3.229,6,0.354,0.56,1.0,0.3255003084092934,0.18673326022890824,0.22830854636419712,0.17253786580768968,0.2282699952025221
EOS-2-19743,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cncn5)cc4)n23)nc1,TZNDPPXFNXLQSE-UHFFFAOYSA-N,2,1,0.363,6,348,464.493,3.229,6,0.354,0.71,0.998,0.30266088684805703,0.11483106024261532,0.31183606332670827,0.22630388595709683,0.23890797409361936
EOS-2-19744,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nn1C,JAXJFMUQCCMKDU-UHFFFAOYSA-N,2,1,0.415,67,826,464.493,2.961,6,0.37,0.68,0.876,0.18853231444040847,0.12488862997738331,0.09272839421561237,0.10535604139538071,0.12787634500719622
EOS-2-19745,CCn1cc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cncc(C)n6)cc5)n34)no2)c(C)n1,ZSZLKUBAEPTOHY-UHFFFAOYSA-N,2,1,0.273,98,167,464.493,3.799,6,0.374,0.61,1.0,0.0864916729490782,0.08293639915016106,0.05230107600575697,0.04310876567747241,0.06620947844561717
EOS-2-19746,Cn1cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)c(-c2ccccn2)n1,VXROAFCNFHMASE-UHFFFAOYSA-N,2,1,0.396,6,843,464.493,2.961,6,0.37,0.64,0.999,0.27815091494757044,0.21448152971009526,0.11322047837708177,0.0855321773696114,0.1728462751010897
EOS-2-19747,CCn1ncc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n(C)n2)n1,UYODGQXZVQKUMB-UHFFFAOYSA-N,2,1,0.356,67,622,464.493,3.658,6,0.367,0.68,1.0,0.24109896511548215,0.20964121718867795,0.09742306901514633,0.08383592625591117,0.1579997943938044
EOS-2-19748,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)cc1,NKPDJURTVDNDDW-UHFFFAOYSA-N,2,1,0.606,67,789,464.493,2.961,6,0.37,0.71,1.0,0.6218645055170996,0.34087793845521214,0.23543622781166473,0.1970649715578096,0.3488109108354465
EOS-2-19749,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5cnn(C)c5-c5ccccc5)n34)n2)cn1,NWHVBPJWRPAXKJ-UHFFFAOYSA-N,2,1,0.409,71,549,464.493,2.961,6,0.37,0.6,1.0,0.23266054417106435,0.12121341923103283,0.1302943595367007,0.10984510999931464,0.14850335823452815
EOS-2-19750,CCOc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,GHVFTJDTTPSLQA-UHFFFAOYSA-N,2,1,0.348,9,537,464.493,3.438,6,0.397,0.61,1.0,0.19966931670207663,0.08294496607497773,0.2606401206223014,0.20310465355356042,0.18658976423822907
EOS-2-19751,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cc4)n23)cc1,RGYSWXDDYJQQRG-UHFFFAOYSA-N,2,1,0.489,67,755,464.493,3.229,6,0.354,0.68,1.0,0.3451185662394627,0.1867418271537249,0.2498372284284833,0.2089387293537112,0.24765908779384552
EOS-2-19752,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n(C)n1,NBJLPHBRZFBIOQ-UHFFFAOYSA-N,2,1,0.34,67,622,464.493,3.658,6,0.367,0.59,1.0,0.25679357137961756,0.20008909601809335,0.08333904461654444,0.08739120005482832,0.1569032280172709
EOS-2-19753,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)ccn2)n1C,WPCBIZNNQZFERK-UHFFFAOYSA-N,2,1,0.473,6,597,464.493,3.055,6,0.37,0.69,1.0,0.26763073127270237,0.14612603659790283,0.18656192173257488,0.11924302652319924,0.17989042903159486
EOS-2-19754,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)n2)cn1,ZCBMXNZUYDPYBM-UHFFFAOYSA-N,2,1,0.426,56,350,464.493,2.961,6,0.37,0.72,1.0,0.307741073264341,0.21958741690082928,0.2392485093550819,0.16702933315057228,0.2334015831677061
EOS-2-19755,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cn2)cn1,WIJPEHZUXDIUHC-UHFFFAOYSA-N,2,1,0.424,6,547,464.493,3.229,6,0.354,0.63,1.0,0.1939551778493592,0.18234699472277432,0.21411315194297856,0.14641731204166952,0.1842081591391954
EOS-2-19756,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnn(-c5ccccc5)n4)n23)cc1,CRIXXWDIXWGWSR-UHFFFAOYSA-N,2,1,0.5,67,755,464.493,2.789,6,0.354,0.65,1.0,0.4609005551367281,0.28644369817010484,0.08334761154136111,0.0892587896648619,0.22998766362826398
EOS-2-19757,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5cccc(-c6nncn6C)c5)n34)nc2)n1C,GHUHQXGSCYCYAH-UHFFFAOYSA-N,2,1,0.356,67,789,464.493,3.483,6,0.381,0.67,1.0,0.2864950997190049,0.1739942430265232,0.1932612569392091,0.12806695908436708,0.19545438969227608
EOS-2-19758,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccn6)n5C)n34)cc2)n[nH]1,AJBMIMHNYHKDMQ-UHFFFAOYSA-N,2,1,0.414,81,415,464.493,3.259,6,0.398,0.61,0.93,0.3817850044548009,0.33114591186347747,0.07862723596737715,0.08036632170516071,0.21798111849770407
EOS-2-19759,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cncn6C)cc5)n34)n2)cn1,LKKYQRMRJZIPSN-UHFFFAOYSA-N,2,1,0.421,56,350,464.493,2.961,6,0.37,0.74,1.0,0.2838479199506545,0.19543725584264274,0.3046569803303406,0.22050407785621273,0.25111155849496264
EOS-2-19760,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c2)nn1,UIUVVEABTYQCPO-UHFFFAOYSA-N,2,1,0.432,6,843,464.493,2.961,6,0.37,0.7,1.0,0.32550887533411005,0.2047066684942773,0.217505654170379,0.16436501953258859,0.22802155438283872
EOS-2-19761,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)n(C)n1,SDPJSHGFWDMTIU-UHFFFAOYSA-N,2,1,0.344,67,789,464.493,3.658,6,0.367,0.59,1.0,0.267639298197519,0.23473373997669797,0.12464018915769995,0.12595949557946678,0.1882431807278459
EOS-2-19762,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nncn6C)cc5)n34)cn2)cn1,FXHYWBMXFYPSSJ-UHFFFAOYSA-N,2,1,0.444,67,870,464.493,3.658,6,0.367,0.76,1.0,0.21088342128709478,0.21449009663491192,0.2073367144129943,0.15917346309368788,0.19797092385717222
EOS-2-19763,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)cn1,SHVPFLLGZYCLAM-UHFFFAOYSA-N,2,1,0.523,67,415,464.493,2.961,6,0.37,0.71,1.0,0.32293879788910973,0.20471523541909395,0.2935970803920225,0.20894729627852787,0.2575496024946885
EOS-2-19764,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)n1C,YUUQBDGGVCLILG-UHFFFAOYSA-N,2,1,0.33,80,318,464.493,3.483,6,0.381,0.65,1.0,0.4124374614488383,0.2144986635597286,0.1769241313138236,0.09913645397847988,0.2257491775752176
EOS-2-19765,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)n1C,RTPMYPDSJJSFQF-UHFFFAOYSA-N,2,1,0.511,71,932,464.493,3.055,6,0.37,0.65,1.0,0.23563326708244808,0.17400280995133988,0.13629977383318484,0.10341991638681379,0.16233894181344666
EOS-2-19766,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cc5)n34)nn2C)cn1,LHPNJDAXXQAASO-UHFFFAOYSA-N,2,1,0.442,6,826,464.493,3.055,6,0.37,0.76,1.0,0.08422143787266123,0.057149955451990954,0.27136591049276954,0.20003769446919334,0.15319374957165377
EOS-2-19767,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)cc1,HZGZGYXTHCYCAR-UHFFFAOYSA-N,2,1,0.554,67,755,464.493,2.961,6,0.37,0.7,1.0,0.442464532931259,0.2761034199163868,0.20371290521554383,0.1751679117264067,0.2743621924473991
EOS-2-19768,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)nc5)n34)cn2)cn1,HRBWHNPBBYDUOS-UHFFFAOYSA-N,2,1,0.448,80,843,464.493,3.229,6,0.354,0.62,1.0,0.17687272976492358,0.15000685353985332,0.2569135083270509,0.16982215064080597,0.18840381056815844
EOS-2-19769,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnn(C)c6)c5)n34)cn2)n[nH]1,WXGAYBITIDFRCI-UHFFFAOYSA-N,2,1,0.418,6,549,464.493,3.259,6,0.398,0.67,1.0,0.3952779110410527,0.23474230690151462,0.3564783085463642,0.24678740319374956,0.30832148242067026
EOS-2-19770,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnnn6C)cc5)n34)cc2)n1,QBCPEFOOAUEWOW-UHFFFAOYSA-N,2,1,0.549,67,245,464.493,2.961,6,0.37,0.72,1.0,0.49793537111918307,0.31702761976560895,0.24984579535329998,0.20895586320334453,0.31844116236035913
EOS-2-19771,CCn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,DDNPDXVTSNRNTG-UHFFFAOYSA-N,2,1,0.402,81,763,464.493,3.434,6,0.381,0.64,1.0,0.3564183400726475,0.29687821259680625,0.04523336303200603,0.05509389349599068,0.1884059522993626
EOS-2-19772,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncnn5C)cc4)n23)cn1,STSDTCZJQQVKQY-UHFFFAOYSA-N,2,1,0.456,6,843,464.493,2.961,6,0.37,0.69,1.0,0.40579809471592077,0.21959598382564594,0.19326982386402577,0.13907545747378522,0.23943483996984444
EOS-2-19773,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)nc1,KKYPTRYWYFZMBG-UHFFFAOYSA-N,2,1,0.43,80,34,464.493,3.055,6,0.37,0.53,1.0,0.3053766020149407,0.20472380234391063,0.19327839078884243,0.11470255637036529,0.20452033787951476
EOS-2-19774,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6n[nH]c(C)n6)cc5)n34)nc2)cn1,ITWDTVTYXFQRNA-UHFFFAOYSA-N,2,1,0.484,56,425,464.493,3.353,6,0.398,0.64,1.0,0.30009937632787337,0.2096497841134946,0.2569220752518676,0.1565605510246042,0.23080794667945995
EOS-2-19775,Cc1cc(-c2nnc3cncc(-c4ccc(-c5nc(C)no5)nc4)n23)cc(-c2cnn(C)c2C)n1,NRJOBGYHUQAARP-UHFFFAOYSA-N,2,1,0.265,70,968,464.493,3.624,6,0.384,0.61,1.0,0.16618120759372215,0.0829535329997944,0.09743163593996298,0.059497292851757935,0.10151591734630937
EOS-2-19776,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccc(-n6cccn6)n5)n34)cc2)n1,SEQIHJSSUNZSRL-UHFFFAOYSA-N,2,1,0.456,56,415,464.493,2.789,6,0.354,0.59,1.0,0.4309934206017408,0.2810037009115208,0.11628743746144884,0.09705469124802961,0.23133481255568503
EOS-2-19777,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6ccnc6)nn5)n34)cc2)n1,HZYYIDPKKVNFOX-UHFFFAOYSA-N,2,1,0.454,71,889,464.493,2.789,6,0.354,0.59,1.0,0.4352340483859914,0.3170361866904256,0.18990302241107532,0.1486532794188198,0.27270663422657804
EOS-2-19778,Cn1cc(-c2ccc(COc3cncc4nnc(-c5cnn(C)c5-c5ccccc5)n34)cn2)nn1,VVCMMLUESIQNPX-UHFFFAOYSA-N,2,1,0.484,71,833,464.493,2.961,6,0.37,0.59,0.997,0.23832328147488177,0.12122198615584949,0.1544359536700706,0.1413970940991022,0.163844578849976
EOS-2-19779,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6ccnn6)nc5)n34)cc2)n1,QLQCUXFLFFEOTK-UHFFFAOYSA-N,2,1,0.517,71,889,464.493,2.789,6,0.354,0.62,1.0,0.43100198752655744,0.31704475361524226,0.2354447947364814,0.18091631827839078,0.29110196353916795
EOS-2-19780,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccn6)n5C)n34)cc2)n1,LLXOFNNCRSHRKC-UHFFFAOYSA-N,2,1,0.432,67,415,464.493,2.961,6,0.37,0.64,1.0,0.33312487149612774,0.30166712356932357,0.070017476526626,0.06921218559385924,0.19350541429648413
EOS-2-19781,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)cn1,BEWLLAAYKMHHHN-UHFFFAOYSA-N,2,1,0.495,56,415,464.493,3.055,6,0.37,0.65,1.0,0.2781594818723871,0.1655558220821054,0.25359810842300046,0.16191487903502158,0.2148070728531286
EOS-2-19782,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,UUJBGACDMURSAZ-UHFFFAOYSA-N,2,1,0.471,25,755,464.493,2.961,6,0.37,0.73,1.0,0.37251559180316635,0.3650795010622987,0.09499006236721266,0.12807552600918373,0.24016517031046536
EOS-2-19783,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)c2)nn1,IXJTWCZOBJATMM-UHFFFAOYSA-N,2,1,0.506,67,755,464.493,2.961,6,0.37,0.65,1.0,0.35412240422178054,0.22995339592899733,0.25693064217668427,0.21208279076142827,0.2632723082722226
EOS-2-19784,CCn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)cn1,FONARTDBKPAVFJ-UHFFFAOYSA-N,2,1,0.473,56,425,464.493,3.434,6,0.381,0.73,1.0,0.31820128846549245,0.20009766294291,0.3266140086354602,0.2382890137756151,0.27080049345486945
EOS-2-19785,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)n1C,VLIUPFNRFXEDEO-UHFFFAOYSA-N,2,1,0.5,67,611,464.493,3.259,6,0.398,0.67,1.0,0.48809197450483177,0.2708861627030361,0.17693269823864025,0.14374443149886917,0.2699138167363443
EOS-2-19786,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)n1,JEMKTNJKUYICDF-UHFFFAOYSA-N,2,1,0.523,56,415,464.493,2.961,6,0.37,0.68,1.0,0.3104396545815914,0.2001062298677267,0.23194092248646425,0.15656911794942088,0.22476398122130078
EOS-2-19787,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4ccc(-n5cccn5)cn4)n23)c1,NBGGNWOISBQIRB-UHFFFAOYSA-N,2,1,0.463,87,184,464.493,2.789,6,0.354,0.61,1.0,0.3702367898019327,0.14613460352271948,0.17694126516345693,0.13449215269686793,0.20695120279624424
EOS-2-19788,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5c[nH]nn5)c4)n23)cc1,MSSMVDQNHGWWMZ-UHFFFAOYSA-N,2,1,0.473,67,755,464.493,3.434,6,0.381,0.61,1.0,0.4564543211568775,0.2810122678363375,0.2790504420533205,0.24679597011856624,0.3158282502912754
EOS-2-19789,Cn1cc(-c2cccc(CCOc3cncc4nnc(-c5cccc(-c6nc[nH]n6)c5)n34)n2)cn1,CYFUJPOWMKBCKN-UHFFFAOYSA-N,2,1,0.45,15,561,464.493,2.993,6,0.382,0.63,1.0,0.4058066616407374,0.28645226509492155,0.2109091220615448,0.16192344595983826,0.2662728736892605
EOS-2-19790,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)c2)cn1,URWVDQZBLLETTC-UHFFFAOYSA-N,2,1,0.568,67,755,464.493,2.961,6,0.37,0.69,1.0,0.4194109382496059,0.2968867795216229,0.290050373517922,0.24970015763141662,0.3140120622301419
EOS-2-19791,CCn1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6OC)cc5)n34)n2)cn1,MUINJMRMROCJJF-UHFFFAOYSA-N,2,1,0.348,67,973,464.493,3.326,6,0.369,0.7,1.0,0.03688917826057159,0.032614282777054346,0.1162960043862655,0.1192515934480159,0.07626276471797683
EOS-2-19792,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccnc6)n5C)n34)cc2)cn1,KOIICIFOIPIEDV-UHFFFAOYSA-N,2,1,0.429,56,197,464.493,2.961,6,0.37,0.69,1.0,0.31324960592145845,0.3170533205400589,0.13030292646151737,0.12390343362346652,0.22112732163662535
EOS-2-19793,Cc1nncn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)nc4)n23)cc1,KAJCTTZDLUOKCG-UHFFFAOYSA-N,2,1,0.43,6,826,464.493,3.055,6,0.37,0.59,1.0,0.31566547871975875,0.16944520594887258,0.26064868754711806,0.1779864299910904,0.23093645055170994
EOS-2-19795,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)nc2)cn1,MKXOKPXEZMZSIW-UHFFFAOYSA-N,2,1,0.506,56,415,464.493,2.961,6,0.37,0.63,1.0,0.27295079158385305,0.2047323692687273,0.3266225755602769,0.23231786717839764,0.2591559008978137
EOS-2-19796,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccn(C)n6)c5)n34)cc2)n[nH]1,OYFUAGRONUHILV-UHFFFAOYSA-N,2,1,0.467,56,415,464.493,3.259,6,0.398,0.65,1.0,0.4330409156329244,0.2864608320197382,0.23545336166129807,0.15657768487423754,0.27788319854704957
EOS-2-19797,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nnn(-c5ccccc5)n4)n23)cc1,HJIBGGHRDXZQOD-UHFFFAOYSA-N,2,1,0.483,67,288,464.493,2.789,6,0.354,0.61,0.989,0.4264186827496402,0.27089472962785277,0.08082893564526078,0.09706325817284628,0.2188014015489
EOS-2-19798,Cn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n(C)n2)n1,JOGFYKXSQPEQPQ-UHFFFAOYSA-N,2,1,0.398,81,363,464.493,2.961,6,0.37,0.62,0.944,0.2704149818381194,0.24037934343088205,0.13031149338633405,0.11704989377013228,0.18953892810636697
EOS-2-19799,Cc1ccn(-c2nc(C)ncc2-c2nnc3cncc(-c4ccc(-c5nc(C)n(C)n5)cn4)n23)n1,YCQVJHSXVJLBBL-UHFFFAOYSA-N,2,1,0.263,99,286,464.497,2.55,6,0.386,0.67,1.0,0.03413062846960455,0.035587005688438075,0.013227331916935097,0.005756973476800768,0.022175484887944623
EOS-2-19800,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5)n34)c(F)c2)n1C,OKZDAKOWIRYOQM-UHFFFAOYSA-N,2,1,0.342,9,867,464.508,4.707,6,0.378,0.73,1.0,0.3281132204783771,0.3264512370639435,0.6188660818312659,0.5561304913988074,0.4573902576930985
EOS-2-19801,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)n6C)cc5)n34)c(F)c2)n[nH]1,KFSVMQBFLANWRZ-UHFFFAOYSA-N,2,1,0.333,9,98,464.508,5.005,6,0.396,0.68,1.0,0.26241347405935167,0.3264598039887602,0.6735230621616065,0.6123295181961483,0.4686814646014667
EOS-2-19802,Cc1ncc(-c2cc(-c3nnc4cncc(OCC=Cc5ccccc5)n34)ccn2)c(C)n1,GWSAAEWBEZKFFQ-UHFFFAOYSA-N,2,1,0.494,89,567,435.491,4.352,5,0.391,0.68,1.0,0.5440596943321225,0.3937615653485025,0.3601021177438147,0.24405455417723254,0.38549448290041805
EOS-2-19803,CC(=O)N1CC(n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)C1,QXCFVKKGYUMGPN-UHFFFAOYSA-N,2,1,0.333,62,366,435.491,3.725,6,0.43,0.79,1.0,0.06052532382975807,0.09585532177369611,0.08816222328832843,0.1861592762661915,0.10767553628949353
EOS-2-19804,CC(C)n1nc(-c2nnc3cncc(OCc4ccsc4)n23)cc1-c1cncc(F)c1,GOBXMNUBUOWYAF-UHFFFAOYSA-N,2,1,0.404,92,62,435.488,4.41,5,0.393,0.72,0.967,0.38179357137961756,0.3119731341237749,0.3754197793160167,0.30714138852717426,0.3440819683366459
EOS-2-19805,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2C)s1,BJHJGPNXHQRSNS-UHFFFAOYSA-N,2,1,0.453,31,477,435.488,3.717,5,0.404,0.66,0.885,0.38865567815776847,0.27611198684120347,0.23194948941128093,0.2263124528819135,0.2807574018230416
EOS-2-19806,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ccc2F)c(C)n1,HMUOYHNTTUEWNE-UHFFFAOYSA-N,2,1,0.517,16,256,435.488,4.158,5,0.398,0.78,1.0,0.3818021383044342,0.5066222328832842,0.36758961003358237,0.31037111918305804,0.39159627510108974
EOS-2-19807,Cc1ncsc1CCOc1cncc2nnc(-c3ccc(-c4cncn4C)c(F)c3)n12,RWMMFYJGVKSQAG-UHFFFAOYSA-N,2,1,0.558,26,563,435.488,3.717,5,0.404,0.67,1.0,0.660072990199438,0.5912891508464122,0.3080923171818244,0.28553560413953805,0.46124751559180316
EOS-2-19808,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncs4)n23)c(F)c1,USMQSAJNOBLPEN-UHFFFAOYSA-N,2,1,0.528,26,619,435.488,3.892,5,0.386,0.66,1.0,0.6164587759577822,0.5812487149612775,0.3754283462408334,0.34164039476389557,0.47869405798094716
EOS-2-19809,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5)n(C)n4)n23)cs1,SBTWXOYPDRMEQM-UHFFFAOYSA-N,2,1,0.483,95,266,435.488,3.717,5,0.404,0.77,1.0,0.43101055445137415,0.4308477828798574,0.20025186758961003,0.22326262764717977,0.3213432081420054
EOS-2-19810,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccc2F)c(C)n1,DYFZEUJCBHCSBX-UHFFFAOYSA-N,2,1,0.517,16,256,435.488,4.158,5,0.398,0.67,1.0,0.3973511068466863,0.49265814543211567,0.3412034815982455,0.30071619491467344,0.3829822321979302
EOS-2-19811,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ccc2F)cn1,SIBJNQOFNQQULB-UHFFFAOYSA-N,2,1,0.56,35,545,435.488,3.892,5,0.386,0.71,1.0,0.5337793845521211,0.5570385854293742,0.3793091631827839,0.3577033787951477,0.45695762798985673
EOS-2-19812,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ncc(F)s5)n34)c2)cn1,HBMKNKUDJFBNGK-UHFFFAOYSA-N,2,1,0.5,15,545,435.488,3.892,5,0.386,0.64,1.0,0.4036135288876705,0.39864471249400313,0.22453909944486328,0.21766842574189568,0.31111644164210817
EOS-2-19813,NC1COc2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)ccc21,XRNNIORDJFQUCM-UHFFFAOYSA-N,2,1,0.542,12,650,435.487,4.43,6,0.439,0.65,1.0,0.7088273593310945,0.38916969364676857,0.881990610650401,0.8335960523610445,0.7033959289973272
EOS-2-19814,COc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)cn1,AIQFRODTKQKUHN-UHFFFAOYSA-N,2,1,0.32,38,641,464.514,4.442,6,0.369,0.75,1.0,0.1996778836268933,0.18675039407854158,0.2569392091015009,0.24102186279213214,0.22109733739976697
EOS-2-19815,c1cc(COc2cncc3nnc(-c4ccnc(-c5cccs5)c4)n23)nc(-c2cncnc2)c1,RQFLICLYNQSUBL-UHFFFAOYSA-N,2,1,0.5,28,597,464.514,4.346,6,0.358,0.7,0.999,0.3564269069974642,0.39865327941881984,0.39014632307586866,0.34821122609827976,0.3733594338976081
EOS-2-19816,c1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nc(-c2nccs2)c1,NXVDGQFAPSMUMG-UHFFFAOYSA-N,2,1,0.517,28,120,464.514,4.346,6,0.358,0.63,1.0,0.42392570762798987,0.4794308135151806,0.3828473031320677,0.34488725926941266,0.4077727708861627
EOS-2-19817,c1cc(-c2cncs2)cc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)c1,KEWZWABGZRRVOH-UHFFFAOYSA-N,2,1,0.5,81,218,464.514,4.346,6,0.358,0.68,0.996,0.294950654513056,0.3220135700089096,0.37543691316565003,0.3482197930230964,0.335155232677678
EOS-2-19818,COc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cc2)cn1,XYTIRKFOVPPFBN-UHFFFAOYSA-N,2,1,0.333,9,894,464.514,4.442,6,0.369,0.77,1.0,0.20516928243437735,0.12835823452813377,0.46251970392707836,0.40224282091700364,0.2995725104516483
EOS-2-19819,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncs6)cn5)n34)cc2)nc1,HTCXOTYJBDGSEG-UHFFFAOYSA-N,2,1,0.582,41,592,464.514,4.346,6,0.358,0.65,1.0,0.4954252621478994,0.45283051195942703,0.41897402508395587,0.3544222465903639,0.43041301144541155
EOS-2-19820,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cnccn6)ns5)n34)cc2)cc1,XWXOJUJMJJAMKJ-UHFFFAOYSA-N,2,1,0.471,40,857,464.514,4.346,6,0.358,0.69,1.0,0.39528647796586935,0.47943938043999723,0.1932869577136591,0.2680676444383524,0.3340201151394695
EOS-2-19821,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)cn1,CLGOYIPXHGXFMM-UHFFFAOYSA-N,2,1,0.547,40,592,464.514,4.346,6,0.358,0.64,1.0,0.440091494757042,0.4528390788842437,0.5285021588650538,0.46251970392707836,0.4709881091083544
EOS-2-19822,c1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)n2)c1,HMXAWTDCBNAKFS-UHFFFAOYSA-N,2,1,0.511,81,25,464.514,4.346,6,0.358,0.7,1.0,0.3379737509423617,0.3507556027688301,0.4189825920087725,0.3960318004249195,0.3759359365362209
EOS-2-19823,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)nc1,FWKHVVISFKQLNO-UHFFFAOYSA-N,2,1,0.553,40,120,464.514,4.346,6,0.358,0.7,1.0,0.47334829689534647,0.47944794736481394,0.34121204852306214,0.2884997601261051,0.39562701322733196
EOS-2-19824,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cs2)cc1,XSRBXKMZASXNEN-UHFFFAOYSA-N,2,1,0.418,28,363,464.514,4.346,6,0.358,0.72,1.0,0.32551744225892676,0.34607806181892947,0.2606572544719348,0.25605681584538414,0.2970773935987938
EOS-2-19825,c1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)nc1,BQGUNDYJPYZBBI-UHFFFAOYSA-N,2,1,0.5,28,120,464.514,4.346,6,0.358,0.68,1.0,0.437821259680625,0.4263073127270235,0.3008361318621068,0.27671167157837023,0.36041909396203137
EOS-2-19826,c1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)cn2)c1,PZUOGHXTUUYLLP-UHFFFAOYSA-N,2,1,0.465,80,297,464.514,4.346,6,0.358,0.7,1.0,0.4783428140634638,0.5337965184017545,0.34492152696867934,0.3164707696525255,0.4183829072716058
EOS-2-19827,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnn6)cs5)n34)cc2)nc1,IVPACZWQBZUZLC-UHFFFAOYSA-N,2,1,0.534,81,120,464.514,4.346,6,0.358,0.68,1.0,0.38421801110273457,0.4528476458090604,0.2713744774175862,0.2827085189500377,0.3477871633198547
EOS-2-19828,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cscn6)n5)n34)cc2)nc1,MZJUGWKXDYZRQI-UHFFFAOYSA-N,2,1,0.5,28,120,464.514,4.346,6,0.358,0.64,1.0,0.44247309985607564,0.41286580768967174,0.344930093893496,0.3321225412925776,0.3830978856829553
EOS-2-19829,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nncs6)nc5)n34)cc2)ccn1,OYJRPIQPXPAVKX-UHFFFAOYSA-N,2,1,0.542,40,2,464.514,4.346,6,0.358,0.66,1.0,0.5362552258241382,0.5020988965800837,0.4483157425810431,0.42458536083887327,0.47781380645603455
EOS-2-19830,c1ccc(-c2csc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)cc1,BTARLDBFGILPMC-UHFFFAOYSA-N,2,1,0.409,28,363,464.514,4.346,6,0.358,0.69,1.0,0.28650366664382154,0.3359947913097115,0.3081008841066411,0.31339524364334176,0.310998646425879
EOS-2-19831,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cc2)cn1,IIWUAFLRARLCJJ-UHFFFAOYSA-N,2,1,0.56,40,25,464.514,4.346,6,0.358,0.61,1.0,0.4519395517784936,0.4661692138989788,0.4660150092522788,0.40518984305393735,0.44732840449592215
EOS-2-19832,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)nc5)n34)cc2)nc1,BAJFLDCFVNFPIY-UHFFFAOYSA-N,2,1,0.523,81,120,464.514,4.346,6,0.358,0.73,1.0,0.4733568638201631,0.3557329860873141,0.42286340895072305,0.3992700980056199,0.41280583921595504
EOS-2-19833,c1cc(COc2cncc3nnc(-c4ccc(-c5ncncn5)cc4)n23)cc(-c2cscn2)c1,CRHCTIFWGOWDRE-UHFFFAOYSA-N,2,1,0.524,77,427,464.514,4.346,6,0.358,0.63,1.0,0.69966074977726,0.5201665410184361,0.5078387362072511,0.44338976081145914,0.5427639469536015
EOS-2-19834,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cn5)n34)cn2)cc1,BLWDKBZOKNIDKT-UHFFFAOYSA-N,2,1,0.483,28,363,464.514,4.346,6,0.358,0.7,1.0,0.2865122335686382,0.3067730107600576,0.3938472345966692,0.3902491261736687,0.34434540127475843
EOS-2-19835,c1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)s2)cc1,BDDZXTUCFIMDHG-UHFFFAOYSA-N,2,1,0.433,28,177,464.514,4.346,6,0.358,0.77,1.0,0.22155780960866286,0.2709032965526695,0.21091768898636146,0.2528185182646837,0.23904932835309436
EOS-2-19836,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cncs6)n5)n34)nc2)cc1,VKVLBYBCGKWQLO-UHFFFAOYSA-N,2,1,0.418,28,59,464.514,4.346,6,0.358,0.69,1.0,0.3908059762867521,0.3842265780275512,0.2678277705434857,0.28271708587485433,0.33139435268316086
EOS-2-19837,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnsc6)cn5)n34)cc2)cn1,LBIFWSQVSAYDLM-UHFFFAOYSA-N,2,1,0.561,40,592,464.514,4.346,6,0.358,0.54,1.0,0.43524261531080805,0.4128743746144884,0.5148379137824687,0.45304468507984375,0.45399989719690226
EOS-2-19838,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)s5)n34)nc2)nc1,YPHQIDDPGUJPLJ-UHFFFAOYSA-N,2,1,0.457,28,414,464.514,4.346,6,0.358,0.69,1.0,0.47835138098828045,0.45285621273387705,0.25360667534781717,0.23829758070043178,0.3557779624426016
EOS-2-19839,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)s2)nc1,HALNLBRXANQKCD-UHFFFAOYSA-N,2,1,0.494,40,355,464.514,4.346,6,0.358,0.66,1.0,0.5849324926324446,0.5959581248714961,0.34122061544787885,0.307149955451991,0.4573152971009526
EOS-2-19840,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnsc6)cn5)n34)cn2)nc1,PURXTGJVLCNONF-UHFFFAOYSA-N,2,1,0.562,28,297,464.514,4.346,6,0.358,0.67,1.0,0.397359673771503,0.3795918717017339,0.4189911589335892,0.37408333904461655,0.3925065108628607
EOS-2-19841,c1cncc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)c1,OKFNHMHIJWFRGI-UHFFFAOYSA-N,2,1,0.466,77,2,464.514,4.346,6,0.358,0.66,1.0,0.5414125145637722,0.45727674593927764,0.4011205537660201,0.37068226989239944,0.4426230210403673
EOS-2-19842,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nccs6)cn5)n34)cc2)c1,LEXDEAWVNPKQLC-UHFFFAOYSA-N,2,1,0.547,81,120,464.514,4.346,6,0.358,0.68,1.0,0.4169693646768556,0.44417791789459254,0.3901548900006854,0.3514495236789802,0.4006879240627784
EOS-2-19843,COc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)cc2)cn1,YZSRHQVIDJDRFA-UHFFFAOYSA-N,2,1,0.338,42,818,464.514,4.442,6,0.369,0.69,1.0,0.27816804879720375,0.1908368172160921,0.42642724967445683,0.3482283599479131,0.31091511890891643
EOS-2-19844,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)cn1,FKZXVCYBRSCTHT-UHFFFAOYSA-N,2,1,0.536,40,120,464.514,4.346,6,0.358,0.71,1.0,0.5568158453841409,0.44859845109999313,0.4800047974778973,0.4022513878418203,0.4719176204509629
EOS-2-19845,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4ncc(-c5ccnnc5)s4)n23)cc1,HDKXLHUNBDWRTR-UHFFFAOYSA-N,2,1,0.483,28,797,464.514,4.346,6,0.358,0.63,1.0,0.2781766157220204,0.2918237269549722,0.27138304434240285,0.2885083270509218,0.2824729285175793
EOS-2-19846,COc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3cnc(-c4ccccc4)nc3)n12,XPRBRFBTLUGOPL-UHFFFAOYSA-N,2,1,0.333,30,553,464.514,4.442,6,0.369,0.68,1.0,0.20235076416969364,0.07956959769721061,0.34894798163251317,0.3164793365773422,0.2368369200191899
EOS-2-19847,c1csc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)ncn2)c1,ATGFOKKWPBGBAN-UHFFFAOYSA-N,2,1,0.489,40,355,464.514,4.346,6,0.358,0.62,1.0,0.5262233568638202,0.5570471523541909,0.404710095264204,0.3644626824754986,0.4631108217394284
EOS-2-19848,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cn2)nc1,NEDVETBKQLUBLF-UHFFFAOYSA-N,2,1,0.556,28,297,464.514,4.346,6,0.358,0.69,1.0,0.4194195051744226,0.4355767253786581,0.37147899390034955,0.32559454458227677,0.38801744225892676
EOS-2-19849,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccncc6)ns5)n34)nc2)nc1,MEFBUCMQWIHVNR-UHFFFAOYSA-N,2,1,0.466,28,942,464.514,4.346,6,0.358,0.72,1.0,0.3632804468507984,0.33600335823452815,0.3156569117949421,0.30715852237680763,0.33052480981426907
EOS-2-19850,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)cn2)cn1,JOZKVYWRLLTCFV-UHFFFAOYSA-N,2,1,0.488,80,868,464.514,4.346,6,0.358,0.66,1.0,0.5236447124940031,0.43085634980467413,0.5005140154890001,0.43418031663354123,0.47229884860530463
EOS-2-19851,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cn5)n34)cc2)nc1,QIHZYVKAIKOXNC-UHFFFAOYSA-N,2,1,0.576,81,120,464.514,4.346,6,0.358,0.71,1.0,0.28652080049345485,0.3311544787882941,0.43378623809197453,0.405198409978754,0.3641649818381194
EOS-2-19852,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnsc6)cc5)n34)cn2)cn1,UMDDNVISVWEYDP-UHFFFAOYSA-N,2,1,0.549,40,78,464.514,4.346,6,0.358,0.58,1.0,0.5849410595572613,0.43558529230347476,0.5111627030361181,0.4497549859502433,0.49536101021177437
EOS-2-19853,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cscn6)cn5)n34)cc2)ccn1,DWPBYSIWKGCUBX-UHFFFAOYSA-N,2,1,0.506,40,25,464.514,4.346,6,0.358,0.6,1.0,0.4169779316016723,0.4834658351038311,0.4228719758755397,0.39927866493043657,0.4306486018778699
EOS-2-19854,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cncs6)n5)n34)cc2)cc1,WNJBFVFDOMXUPP-UHFFFAOYSA-N,2,1,0.488,12,285,464.514,4.346,6,0.358,0.66,1.0,0.4806301829895141,0.48808340758001506,0.29005894044273867,0.3448958261942293,0.4009170893016243
EOS-2-19855,COc1cnc(-c2cncnc2)c(-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)c1,AEXWDMGOTNQHFZ-UHFFFAOYSA-N,2,1,0.333,94,165,464.514,4.442,6,0.369,0.71,1.0,0.19396374477417586,0.0988109108354465,0.4448718388047426,0.3992872318552532,0.28423343156740455
EOS-2-19856,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncs6)cn5)n34)cc2)nc1,WWHVEFGCPSTIPJ-UHFFFAOYSA-N,2,1,0.523,40,120,464.514,4.346,6,0.358,0.71,1.0,0.4609091220615448,0.47475327256528,0.3714875608251662,0.34490439311904597,0.41301358714275926
EOS-2-19857,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cc5)n34)cc2)cn1,PTZYKCRRSMJPFX-UHFFFAOYSA-N,2,1,0.538,77,245,464.514,4.346,6,0.358,0.7,1.0,0.47576416969364677,0.37960043862655063,0.5385682955246385,0.4928551847028991,0.4716970221369337
EOS-2-19858,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6ccsc6)n5)n34)cc2)nc1,CDIMFSLAAIFJIP-UHFFFAOYSA-N,2,1,0.494,40,25,464.514,4.346,6,0.358,0.73,1.0,0.45194811870331025,0.41288294153930505,0.30466554725515727,0.3164879035021589,0.37149612774998286
EOS-2-19859,CN1CCC(c2nc(-c3cc(-c4nnc5cncc(OCc6cncs6)n45)nn3C)no2)C1,IZHJIPFCBKYHQF-UHFFFAOYSA-N,2,1,0.384,31,569,464.515,2.029,6,0.368,0.6,1.0,0.02247961071893633,0.0003169762182167089,0.0008138578575834418,0.0006596532108834212,0.006067524501404976
EOS-2-19860,Cc1cnc(-c2nc(C)ncc2-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cn1,PWIDDEYIULXOEY-UHFFFAOYSA-N,2,1,0.276,42,339,464.518,3.841,6,0.383,0.55,0.999,0.042843191008155715,0.05338050853265712,0.1363083407580015,0.13666815160030155,0.09230004797477898
EOS-2-19861,c1ncc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)c2)cn1,ZYSATJZRDCVDAD-UHFFFAOYSA-N,2,1,0.282,38,170,435.476,3.829,6,0.411,0.66,1.0,0.05193269823864026,0.12489719690219998,0.37149612774998286,0.3867195531492016,0.23376139401000617
EOS-2-19862,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cc2)nn1,FJNXENHTSYIQEI-UHFFFAOYSA-N,2,1,0.307,42,725,435.476,3.829,6,0.411,0.65,1.0,0.11411143855801521,0.14251936125008566,0.40112912069083684,0.4052069769035707,0.2657417243506271
EOS-2-19863,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)cn2)nn1,IRVCVOZTPMOTQU-UHFFFAOYSA-N,2,1,0.303,42,725,435.476,3.829,6,0.411,0.59,1.0,0.08206257281886094,0.12836680145295046,0.397693783839353,0.4086423137550545,0.2541913679665547
EOS-2-19864,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)s5)n34)cn2)nc1,XOCXQOZJRLKMHX-UHFFFAOYSA-N,2,1,0.32,86,557,435.476,3.829,6,0.411,0.72,1.0,0.07993797546432732,0.17820917003632375,0.15155746693167021,0.16437358645740524,0.14351954972243164
EOS-2-19865,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)cc2)cn1,NCXKYCNIGLWBCS-UHFFFAOYSA-N,2,1,0.333,38,983,435.476,3.829,6,0.411,0.68,1.0,0.031637653347954216,0.09586388869851278,0.36011068466863133,0.38044856418340073,0.21701519772462474
EOS-2-19866,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)nc2)cn1,ZXVUYECFSHEFGY-UHFFFAOYSA-N,2,1,0.264,42,339,435.476,3.829,6,0.411,0.72,1.0,0.024604208073469948,0.035595572613254745,0.34493866081831265,0.37746727434720034,0.19565142896305943
EOS-2-19867,c1cnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccsc6)n5)n34)cc2)nc1,XJYVXQWNRQWGDM-UHFFFAOYSA-N,2,1,0.315,42,608,435.476,3.829,6,0.411,0.74,1.0,0.11412000548283188,0.14614317044753616,0.2212322664656295,0.25874683023781786,0.18506056815845384
EOS-2-19868,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)nc2)cn1,LVALFLNUMYZBSR-UHFFFAOYSA-N,2,1,0.301,38,170,435.476,3.829,6,0.411,0.72,1.0,0.03543280104173806,0.09248852032074567,0.42288054280035636,0.437178740319375,0.24699515112055376
EOS-2-19869,c1cncc(-c2nnccc2-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c1,OVRDVTQBEUINJD-UHFFFAOYSA-N,2,1,0.284,70,392,435.476,3.829,6,0.411,0.55,1.0,0.09857103694057981,0.11483962716743198,0.2713916112672195,0.3103796861078747,0.19879549037077648
EOS-2-19870,c1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)nc1,IHBMVDUSDAQVIR-UHFFFAOYSA-N,2,1,0.314,86,790,435.476,3.829,6,0.411,0.64,1.0,0.060533890754574736,0.09587245562332945,0.15444452059488725,0.20004626139401,0.12772428209170034
EOS-2-19871,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cn2)cn1,IFWCKVDRBWEBPP-UHFFFAOYSA-N,2,1,0.318,70,790,435.476,3.829,6,0.411,0.66,1.0,0.0915718593653622,0.14252792817490234,0.30084469878692344,0.3038859570968405,0.20970761085600712
EOS-2-19872,c1cncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cncs6)n5)n34)cc2)c1,BJJMJKUJTCXWEV-UHFFFAOYSA-N,2,1,0.311,42,186,435.476,3.829,6,0.411,0.7,1.0,0.06573401411829209,0.18235556164759098,0.2640754574737852,0.3385648687547118,0.21268247549859504
EOS-2-19873,c1csc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnccn6)ncn5)n34)cn2)c1,LKKBTIHJEMONIY-UHFFFAOYSA-N,2,1,0.3,86,790,435.476,3.829,6,0.411,0.68,1.0,0.10869714207388116,0.15409327667740388,0.2678363374683024,0.28272565279967105,0.20333810225481463
EOS-2-19874,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cn2)cn1,KRGSXKBBOYTPJM-UHFFFAOYSA-N,2,1,0.308,94,392,435.476,3.829,6,0.411,0.67,0.996,0.08650023987389487,0.14615173737235282,0.36011925159344804,0.35771194571996434,0.23762079363991503
EOS-2-19875,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cnc(-c5cncnc5)s4)n23)cc1,LWULKKOZIVSQDK-UHFFFAOYSA-N,2,1,0.315,94,515,435.476,3.829,6,0.411,0.73,0.694,0.044282434377355906,0.0894986635597286,0.1966965937906929,0.2587553971626345,0.14730827222260298
EOS-2-19876,c1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)s2)nc1,HQGXJYVWAQTIOS-UHFFFAOYSA-N,2,1,0.315,94,165,435.476,3.829,6,0.411,0.67,0.975,0.022488177643752997,0.09881947776026317,0.22124083339044617,0.25282708518950037,0.14884389349599067
EOS-2-19877,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)s2)nc1,WCJLVUQEIWGLSJ-UHFFFAOYSA-N,2,1,0.329,38,608,435.476,3.829,6,0.411,0.68,1.0,0.050236447124940034,0.13146802823658418,0.11630457131108217,0.15658625179905422,0.11364882461791516
EOS-2-19878,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)nc2)cn1,INVFBLLSTDSZFB-UHFFFAOYSA-N,2,1,0.242,42,339,435.476,3.829,6,0.411,0.79,1.0,0.016628401069152216,0.03857686244945514,0.40471866218902064,0.4341888835583579,0.22352820231649645
EOS-2-19879,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnsn6)cc5)n34)cc2)cn1,CLZUOAQQEYIEBR-UHFFFAOYSA-N,2,1,0.329,9,98,435.476,3.829,6,0.411,0.65,1.0,0.044291001302172575,0.08296209992461107,0.41524741278870536,0.4594441779178946,0.2504861729833459
EOS-2-19880,c1cncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)s2)c1,KWZKUGHYLAMSJX-UHFFFAOYSA-N,2,1,0.297,42,171,435.476,3.829,6,0.411,0.65,1.0,0.04429956822698924,0.12123055308066616,0.24620485230621617,0.3038945240216572,0.17890737440888219
EOS-2-19881,COc1nc(-c2nnc3cncc(OCc4nc(C)ns4)n23)ccc1-c1ccnn1C,CKEMZKAILGHQAJ-UHFFFAOYSA-N,2,1,0.367,31,105,435.473,2.334,5,0.396,0.66,1.0,0.13845863888698512,0.10530463984648071,0.01643136179836886,0.005071619491467343,0.0663165650058255
EOS-2-19882,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5cncs5)n34)c2)nc1CO,HAKIRBHVWNPBCA-UHFFFAOYSA-N,2,1,0.482,65,349,435.473,1.552,5,0.405,0.66,1.0,0.23564183400726474,0.16945377287368926,0.015103488451785347,0.012259269412651635,0.10811459118634775
EOS-2-19883,N#Cc1ccc(-c2ncsc2COc2cncc3nnc(-c4ccc(C#N)cc4)n23)cc1,NJDBBAXJTSBRDU-UHFFFAOYSA-N,2,1,0.558,89,230,435.472,4.237,5,0.406,0.78,1.0,0.7943595367007059,0.7528442190391337,0.7792560482489206,0.7680162428894524,0.7736190117195532
EOS-2-19884,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)nc2)cc1F,QAHDHDLGNRYNQQ-UHFFFAOYSA-N,2,1,0.312,32,818,464.529,6.091,6,0.316,0.78,1.0,0.19968645055170997,0.3264683709135769,0.8458039202247961,0.8489051470084299,0.5552159721746281
EOS-2-19885,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccccc5)s4)n23)c(-c2ccc(F)cc2)n1,SHEAXMQCRKZHII-UHFFFAOYSA-N,2,1,0.342,30,93,464.529,6.091,6,0.316,0.71,1.0,0.2411075320402988,0.4355938592282914,0.659970187101638,0.7287968610787472,0.5163671098622438
EOS-2-19886,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)c(F)c2)n1,JXUILFQPRAKDKR-UHFFFAOYSA-N,2,1,0.351,69,695,464.529,6.091,6,0.316,0.78,1.0,0.21337639640874512,0.40338222191762046,0.7467188677952162,0.747447056404633,0.5277311356315537
EOS-2-19887,Cc1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1F,MLQKHAMGDXSCGU-UHFFFAOYSA-N,2,1,0.325,69,484,464.529,6.091,6,0.316,0.73,1.0,0.19397231169899254,0.3986618463436365,0.7744585703515866,0.7892793502844219,0.5390930196696594
EOS-2-19888,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)c2)s1,IWGVNRLCIPKSET-UHFFFAOYSA-N,2,1,0.364,93,107,464.529,6.091,6,0.316,0.71,1.0,0.2519104242341169,0.42192961414570623,0.7105150435199781,0.7704321156877527,0.5386967993968885
EOS-2-19889,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)nc2)ccc1F,YXPIGLFRSYJMAU-UHFFFAOYSA-N,2,1,0.303,69,174,464.529,6.091,6,0.316,0.72,1.0,0.20804776917277773,0.3170618874648756,0.7962613940100062,0.7983859913645398,0.5299392605030498
EOS-2-19890,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cn5)n34)cc2)sc1F,QUOFLLFFWRMMOP-UHFFFAOYSA-N,2,1,0.36,93,651,464.529,6.091,6,0.316,0.72,1.0,0.24641902542663285,0.33116304571311084,0.6652217120142554,0.6790829963676239,0.48047169488040575
EOS-2-19891,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4F)n23)cc1,JVQBUUPBNGMWDQ-UHFFFAOYSA-N,2,1,0.34,93,538,464.529,6.091,6,0.316,0.78,1.0,0.21089198821191146,0.3557415530121308,0.8672554999657323,0.877681447467617,0.5778926221643479
EOS-2-19892,Cc1c(F)ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)nc4)n23)cc1,DYTGSBBFLUYKTJ-UHFFFAOYSA-N,2,1,0.313,32,57,464.529,6.091,6,0.316,0.63,1.0,0.30010794325269,0.4926667123569324,0.7836423137550544,0.7727109176889864,0.5872819717634159
EOS-2-19893,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)c2)s1,CJSOZVRVBLTSFB-UHFFFAOYSA-N,2,1,0.385,93,538,464.529,6.091,6,0.316,0.7,1.0,0.21603214310191213,0.4308649167294908,0.7467274347200329,0.7961585909122062,0.5474457713659104
EOS-2-19894,COc1nc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1nc(C)no1,IIRNRXHBCMGNEG-UHFFFAOYSA-N,2,1,0.437,49,456,435.469,3.236,5,0.38,0.63,0.999,0.35643547392228087,0.12490576382701665,0.05230964293057364,0.027979576451237064,0.14040761428277704
EOS-2-19895,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccc(F)c5)cc4)n23)cc1,ZBSJNGPHHLZFQB-UHFFFAOYSA-N,2,1,0.806,79,497,435.462,5.091,5,0.371,0.82,1.0,0.9954509629223494,0.997010143238983,0.9466623260914262,0.9464224521965595,0.9713864711123295
EOS-2-19896,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)c1,SOSQYCYHXRMESK-UHFFFAOYSA-N,2,1,0.753,79,497,435.462,5.091,5,0.371,0.82,1.0,0.9949112466588993,0.9944314988691659,0.9455143581659927,0.9447519018573093,0.9699022513878418
EOS-2-19897,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)cc1,DZRKYMSZNSMTHE-UHFFFAOYSA-N,2,1,0.826,79,497,435.462,5.091,5,0.371,0.84,1.0,0.9970272770886163,0.9971043794119663,0.9489839627167432,0.947184908505243,0.9725751319306423
EOS-2-19898,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2)cc1,NHNZRGJJZTVOKE-UHFFFAOYSA-N,2,1,0.778,79,650,435.462,5.091,5,0.371,0.8,1.0,0.9958707422383661,0.9962562538551162,0.9461140429031595,0.9455914604893427,0.970958124871496
EOS-2-19899,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)nc2)cc1,VKXNSNPQCWVIOH-UHFFFAOYSA-N,2,1,0.333,76,653,464.539,4.972,6,0.362,0.58,0.831,0.055102460420807346,0.142536495099719,0.5486858337331232,0.612338085120965,0.33966571859365363
EOS-2-19900,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)cn1,KWUGHDWTJJTWPU-UHFFFAOYSA-N,2,1,0.525,97,430,435.459,5.431,5,0.356,0.78,1.0,0.7887139332465218,0.7207268179014461,0.9285689808786238,0.8901377561510521,0.832036872044411
EOS-2-19901,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1,YYPSQOCCQXVPNJ-UHFFFAOYSA-N,2,1,0.641,91,883,435.459,4.815,5,0.383,0.7,1.0,0.9494808443561099,0.94973785210061,0.8819991775752176,0.8762079363991502,0.9143564526077719
EOS-2-19902,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)c(F)c2)ccn1,RCEZIZHVCUNGJP-UHFFFAOYSA-N,2,1,0.58,35,352,435.459,4.815,5,0.358,0.7,1.0,0.8914399287231856,0.8906860393393188,0.867264066890549,0.862440888218765,0.8779577307929546
EOS-2-19903,Cc1nc(-c2ccc(F)cc2)sc1COc1cncc2nnc(-c3ccc(F)cc3)n12,WLSFSNCTDQIKHM-UHFFFAOYSA-N,2,1,0.649,57,798,435.459,5.08,5,0.385,0.73,1.0,0.958013501473511,0.9153416489616887,0.6817130422863409,0.7316839147419643,0.8216880268658762
EOS-2-19904,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c1F,AWPADYVPWQSCFI-UHFFFAOYSA-N,2,1,0.607,91,732,435.459,4.815,5,0.383,0.78,1.0,0.8967000205606196,0.8479370845041464,0.8378452470701118,0.8255088753341101,0.851997806867247
EOS-2-19905,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)cc1F,XGGQRYLJWFVEAR-UHFFFAOYSA-N,2,1,0.581,84,429,435.459,4.815,5,0.383,0.76,1.0,0.89988691659242,0.8825131930642177,0.859939346172298,0.8574035364265643,0.874935748063875
EOS-2-19906,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccs5)n34)c2)cc1F,HLCXWKDWGRHICB-UHFFFAOYSA-N,2,1,0.595,87,137,435.459,4.815,5,0.383,0.76,1.0,0.9063292440545542,0.887970324172435,0.8583116304571311,0.8640686039339319,0.879169950654513
EOS-2-19907,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2)cs1,FVWCXJFBZPKKPY-UHFFFAOYSA-N,2,1,0.568,57,178,435.459,5.08,5,0.385,0.73,1.0,0.929982523473374,0.847945651428963,0.8741176067438832,0.8489137139332465,0.8752398738948666
EOS-2-19908,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)cs1,ZHXUTDAMYWAURE-UHFFFAOYSA-N,2,1,0.736,43,951,435.459,5.08,5,0.385,0.78,1.0,0.9503118360633267,0.8906946062641354,0.8866510177506682,0.8540367349736139,0.8954235487629361
EOS-2-19909,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cc1,LGJYMMZXQRXHPM-UHFFFAOYSA-N,2,1,0.592,1,138,435.459,5.431,5,0.356,0.78,1.0,0.9433983277362757,0.7994825577410732,0.9461226098279761,0.9189397573846891,0.9019858131725036
EOS-2-19910,FC(F)c1ccc(-c2nnc3cncc(OCc4csnc4-c4ccccc4)n23)cc1,WVPXTGOJCMQAAU-UHFFFAOYSA-N,2,1,0.562,1,347,435.459,5.431,5,0.356,0.75,1.0,0.8702453567267494,0.7299962305530807,0.8842351449523679,0.8689517510794326,0.8383571208279076
EOS-2-19911,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cc1,WADPHVMUPJZNKI-UHFFFAOYSA-N,2,1,0.324,25,508,435.455,2.444,6,0.414,0.77,1.0,0.07764203961346035,0.0495253923651566,0.10526180522239736,0.13009732026591736,0.09063163936673292
EOS-2-19912,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)cn5)n34)cc2)cn1,XWYIKEOTZZJDLH-UHFFFAOYSA-N,2,1,0.306,98,167,435.455,2.444,6,0.414,0.65,1.0,0.034139195394421215,0.04953395928997327,0.1833321910766911,0.16703790007538893,0.10851081145911863
EOS-2-19913,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)n1C,JWDYUDDJMMRLJX-UHFFFAOYSA-N,2,1,0.276,70,968,435.455,2.742,6,0.448,0.65,1.0,0.13605133301350147,0.11187547118086491,0.13315571242546775,0.1012353505585635,0.12057946679459941
EOS-2-19914,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)nn1,KPZHCZRALJOLPJ-UHFFFAOYSA-N,2,1,0.358,25,508,435.455,2.444,6,0.414,0.75,1.0,0.0820711397436776,0.05715852237680762,0.12464875608251662,0.1486618463436365,0.10313506613665958
EOS-2-19915,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)n1,KHASKTHJXBDMML-UHFFFAOYSA-N,2,1,0.324,25,508,435.455,2.444,6,0.414,0.76,1.0,0.11934582962099925,0.07957816462202728,0.09999314646014666,0.11238948666986498,0.10282665684325955
EOS-2-19916,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncn6C)nn5)n34)cc2)cn1,CINIMQJEZJOEDM-UHFFFAOYSA-N,2,1,0.293,98,882,435.455,2.444,6,0.414,0.63,1.0,0.050245014049756696,0.04600438626550613,0.15767425125077103,0.15135186073607018,0.101318878075526
EOS-2-19917,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccn6)n(C)n5)n34)nc2)n[nH]1,STIIUYULOKFMHQ-UHFFFAOYSA-N,2,1,0.306,70,813,435.455,2.742,6,0.448,0.62,0.243,0.036897745185388256,0.035604139538071414,0.03784010691522171,0.039433554931121925,0.037443886642450824
EOS-2-19918,Cn1cc(-c2cncc(-c3cncc4nnc(-c5cnn(C)c5-c5ccccc5)n34)n2)nn1,SKHWNIIACAXNHC-UHFFFAOYSA-N,2,1,0.324,98,167,435.455,2.444,6,0.414,0.56,1.0,0.022496744568569666,0.010811459118634775,0.07002604345144267,0.09506716469056267,0.049600352957302446
EOS-2-19919,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)cc1,AIXNVWXIBNOMBF-UHFFFAOYSA-N,2,1,0.314,98,151,435.455,2.712,6,0.406,0.71,1.0,0.006125351243917484,0.01270474950311836,0.09273696114042904,0.09507573161537934,0.05166069837571105
EOS-2-19920,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cc5)n34)cn2)n1,XTBIYWROTFHDMD-UHFFFAOYSA-N,2,1,0.293,98,882,435.455,2.444,6,0.414,0.68,1.0,0.10114111438558016,0.05338907545747378,0.1331642793502844,0.13244465766568433,0.10503478171475567
EOS-2-19921,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnnn5C)nc4)n23)cn1,GSRVLXUOKZRHEN-UHFFFAOYSA-N,2,1,0.298,70,968,435.455,2.444,6,0.414,0.62,0.997,0.03992186964567199,0.03561270646288808,0.15768281817558769,0.13908402439860187,0.09307535467068741
EOS-2-19922,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)nc2)cn1C,LTNGAPNXGPEURV-UHFFFAOYSA-N,2,1,0.273,70,968,435.455,2.742,6,0.448,0.57,0.922,0.11685285449934892,0.10531320677129738,0.15769138510040437,0.12596806250428347,0.12645637721883354
EOS-2-19923,Cc1c(-c2nnc3cncc(-c4ncc(-c5nc[nH]n5)cn4)n23)c(-c2ccccc2)nn1C,BHXNFHXTWPGFAX-UHFFFAOYSA-N,2,1,0.283,98,654,435.455,2.742,6,0.448,0.6,1.0,0.016636967993968885,0.03562127338770475,0.029007607429237203,0.035981084230004796,0.029311733260228907
EOS-2-19924,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nncn6C)c5)n34)cc2)n[nH]1,VSNMFLMHILCECK-UHFFFAOYSA-N,2,1,0.275,98,765,435.455,2.742,6,0.448,0.67,1.0,0.07994654238914399,0.05716708930162429,0.1331728462751011,0.12597662942910012,0.09906577684874238
EOS-2-19925,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cn(C)nn6)cnn5)n34)cc2)n[nH]1,ODNGSXFDPNYPKD-UHFFFAOYSA-N,2,1,0.266,98,63,435.455,2.742,6,0.448,0.57,1.0,0.021374477417586184,0.042337742443972315,0.2002604345144267,0.1891148653279419,0.11327187992598178
EOS-2-19926,Cn1ncnc1Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,FNIVCJZSHBLJPP-UHFFFAOYSA-N,2,1,0.302,98,882,435.455,2.289,6,0.405,0.69,1.0,0.060542457679391405,0.035629840312521414,0.036512233568638204,0.055102460420807346,0.04694674799533959
EOS-2-19927,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)nc4)n23)cc1,XLHBKBORKCQYLP-UHFFFAOYSA-N,2,1,0.312,98,42,435.455,2.444,6,0.414,0.72,1.0,0.09857960386539648,0.057175656226440955,0.0905609622369954,0.09914502090329655,0.08636531080803234
EOS-2-19928,Cc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n(C)n2)nn1,SUNUYSBNPDXCTC-UHFFFAOYSA-N,2,1,0.275,98,63,435.455,2.742,6,0.448,0.6,1.0,0.050253580974573366,0.07606572544719348,0.1273130697005003,0.11471112329518196,0.09208587485436227
EOS-2-19929,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nncn6C)c5)n34)cc2)nn1,ALJMEQIUAZBKLE-UHFFFAOYSA-N,2,1,0.294,98,765,435.455,2.444,6,0.414,0.65,1.0,0.048711534507573165,0.032622849701871015,0.1609553834555548,0.15918203001850456,0.10036794942087589
EOS-2-19930,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccon5)cc4)n23)c(-c2cnn(C)c2)n1,QBCFZQWGVJZSCT-UHFFFAOYSA-N,2,1,0.273,42,339,435.451,3.612,6,0.413,0.67,1.0,0.05344904393119046,0.035638407237338084,0.26066582139675143,0.2440631211020492,0.1484540984168323
EOS-2-19931,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)nc2)n1,DXACPGRLSLJDEZ-UHFFFAOYSA-N,2,1,0.311,38,725,435.451,3.612,6,0.413,0.73,1.0,0.10114968131039682,0.06871530395449249,0.24621341923103282,0.20613734493866082,0.15555393735864576
EOS-2-19932,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1,XQTIXUZFLOXGHA-UHFFFAOYSA-N,2,1,0.306,9,98,435.451,3.787,6,0.402,0.8,1.0,0.12767288054280035,0.08640600370091152,0.2037214721403605,0.21512404907134536,0.15823110136385443
EOS-2-19933,Cc1nc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccccc6)ncn5C)n34)nc2)no1,NPXXYWDWKIVOCJ-UHFFFAOYSA-N,2,1,0.287,76,945,435.451,3.612,6,0.413,0.74,1.0,0.060551024604208074,0.05339764238229045,0.08577205126447811,0.10536460832019738,0.07627133164279351
EOS-2-19934,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)n1,SEXRUTPOAFXJOV-UHFFFAOYSA-N,2,1,0.333,38,42,435.451,3.612,6,0.413,0.69,1.0,0.1579226920704544,0.08641457062572819,0.20373003906517717,0.16983071756562265,0.1544745048317456
EOS-2-19935,Cc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ccc(C#N)cn5)c4)n23)n1,OADIPMHTMCUNPB-UHFFFAOYSA-N,2,1,0.435,65,822,435.451,2.84,5,0.395,0.61,1.0,0.6875813857857583,0.5338050853265712,0.31566547871975875,0.2796501267904873,0.4541755191556439
EOS-2-19936,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnn(C)c5-c5ccccc5)n34)nc2)o1,KRHSFBXBCGOMIA-UHFFFAOYSA-N,2,1,0.32,98,424,435.451,3.612,6,0.413,0.69,1.0,0.0717479953395929,0.07248475087382633,0.13318141319991775,0.14867041326845315,0.10652114317044754
EOS-2-19937,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncn(C)n6)cn5)n34)cc2)o1,NQCHRBYLVIFSLC-UHFFFAOYSA-N,2,1,0.303,38,303,435.451,3.612,6,0.413,0.71,1.0,0.155172709204304,0.13147659516140087,0.2462219861558495,0.19707353848262626,0.1824862072510452
EOS-2-19938,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccccc6)ncn5C)n34)nc2)o1,WYCYPALGDDSUGB-UHFFFAOYSA-N,2,1,0.263,30,541,435.451,3.612,6,0.413,0.71,0.75,0.05345761085600713,0.032631416626687684,0.09499862929202933,0.11471969021999863,0.0739518367486807
EOS-2-19939,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccn6)nn5C)n34)cc2)o1,PBCKFLNDEIWIGB-UHFFFAOYSA-N,2,1,0.295,38,303,435.451,3.612,6,0.413,0.74,1.0,0.08901034884517854,0.10868000822424782,0.09744020286477965,0.10124391748338017,0.09909361935439655
EOS-2-19940,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,CQOLVNMSTJHFME-UHFFFAOYSA-N,2,1,0.506,77,611,435.451,3.341,6,0.427,0.73,1.0,0.4881005414296484,0.27091186347748614,0.46602357617709544,0.39929579878006993,0.406082944966075
EOS-2-19941,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)c1,DFMOQPHCGWXLFO-UHFFFAOYSA-N,2,1,0.512,77,603,435.451,3.341,6,0.427,0.75,1.0,0.5362637927489549,0.3796090055513673,0.5040178877390172,0.4655352614625454,0.47135648687547116
EOS-2-19942,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccnc(-c5cc[nH]n5)c4)n23)cc1,AEQKBWIKFRKKLX-UHFFFAOYSA-N,2,1,0.427,40,722,435.451,3.769,6,0.439,0.58,1.0,0.46091768898636143,0.3842351449523679,0.3977023507641697,0.3256031115070934,0.3921145740524981
EOS-2-19943,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)o6)cn5)n34)cc2)n[nH]1,CPUARJHFWNCFSL-UHFFFAOYSA-N,2,1,0.289,38,303,435.451,3.91,6,0.442,0.69,1.0,0.16056130491398807,0.15001542046467,0.2640840243986019,0.20311322047837707,0.19444349256390928
EOS-2-19944,Cc1noc(-c2ccc(-c3cncc4nnc(-c5cn(C)nc5-c5ccccc5)n34)nc2)n1,AZXJGEGKPCBDQM-UHFFFAOYSA-N,2,1,0.307,38,321,435.451,3.612,6,0.413,0.79,1.0,0.06235864574052498,0.072493317798643,0.12465732300733329,0.1345007196216846,0.09850250154204648
EOS-2-19945,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cnn(C)c6)cn5)n34)cc2)o1,LWLNTVNXENASIV-UHFFFAOYSA-N,2,1,0.297,42,303,435.451,3.612,6,0.413,0.79,1.0,0.1011582482352135,0.08950723048454527,0.3118446302515249,0.24407168802686588,0.18664544924953738
EOS-2-19946,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)cc5)n34)cc2)o1,RQPPXRNFABLIIG-UHFFFAOYSA-N,2,1,0.314,9,598,435.451,3.612,6,0.413,0.79,1.0,0.17413131382358987,0.11188403810568158,0.2606743883215681,0.22632101980673017,0.1932526900143924
EOS-2-19947,c1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cn1,CVHXTAPJADQUSF-UHFFFAOYSA-N,2,1,0.489,40,933,435.451,3.341,6,0.427,0.7,1.0,0.5735641834007265,0.3360119251593448,0.52491261736687,0.44018573093002533,0.46866861421424166
EOS-2-19948,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)cc2)n(C)n1,VIHDSWKELSRUII-UHFFFAOYSA-N,2,1,0.333,38,725,435.451,3.612,6,0.413,0.71,1.0,0.11686142142416558,0.057184223151257624,0.20026900143924337,0.18092488520320746,0.13880988280446852
EOS-2-19949,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccccc5)n34)nc2)no1,AWLPNYWHJNFAGG-UHFFFAOYSA-N,2,1,0.287,30,945,435.451,3.612,6,0.413,0.76,1.0,0.034147762319237884,0.07250188472345967,0.13318998012473443,0.14642587896648618,0.09656637653347955
EOS-2-19950,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cn5)n34)cc2)o1,GREWXJXYPVCWKB-UHFFFAOYSA-N,2,1,0.3,38,714,435.451,3.612,6,0.413,0.8,1.0,0.0890189157699952,0.07958673154684394,0.3008532657117401,0.24408025495168253,0.17838479199506543
EOS-2-19951,COc1c[nH]nc1-c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ccccc5)n4)n23)cc1,QYPITFAGQAATGY-UHFFFAOYSA-N,2,1,0.337,9,834,435.451,3.642,6,0.424,0.68,0.999,0.24642759235144954,0.17821773696114043,0.27905900897813724,0.27077479268041943,0.24361978274278667
EOS-2-19952,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccn(C)n6)cc5)n34)nc2)no1,KZDXJHJBDOJLGH-UHFFFAOYSA-N,2,1,0.311,38,725,435.451,3.612,6,0.413,0.73,1.0,0.1219930093893496,0.11189260503049825,0.21751422109519566,0.18616784319100815,0.1593919196765129
EOS-2-19953,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)c2)o1,KCXNZBSDGZBYBH-UHFFFAOYSA-N,2,1,0.315,42,42,435.451,3.612,6,0.413,0.71,1.0,0.1466657528613529,0.061013638544308135,0.24623055308066616,0.21209135768624496,0.16650032554314304
EOS-2-19954,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnn(C)c6)cn5)n34)cc2)o1,GKFXZRBNTDHAHF-UHFFFAOYSA-N,2,1,0.293,42,167,435.451,3.612,6,0.413,0.66,1.0,0.11935439654581591,0.10868857514906449,0.33751970392707836,0.26495785072990197,0.20763013158796517
EOS-2-19955,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)nc5)n34)cc2)n1,TZCZBOBXGJNYBT-UHFFFAOYSA-N,2,1,0.307,38,725,435.451,3.612,6,0.413,0.75,1.0,0.0963350695634295,0.09882804468507984,0.24266671235693235,0.19708210540744295,0.15872798300322116
EOS-2-19956,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)nc5)n34)c2)o1,VDNOCKMRHOTVQF-UHFFFAOYSA-N,2,1,0.291,98,727,435.451,3.612,6,0.413,0.78,1.0,0.06574258104310876,0.07251045164827634,0.26784490439311903,0.2323264341032143,0.1596060927969296
EOS-2-19957,CCn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,GOICCUBDNAESCG-UHFFFAOYSA-N,2,1,0.299,38,42,435.451,3.787,6,0.402,0.71,1.0,0.18282674251250772,0.08951579740936194,0.23925707627989856,0.2120999246110616,0.18092488520320746
EOS-2-19958,Cc1noc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccccc6)ncn5C)n34)cn2)n1,PPYJZEVUXNXBOF-UHFFFAOYSA-N,2,1,0.262,70,321,435.451,3.612,6,0.413,0.79,0.998,0.08207970666849428,0.04954252621478994,0.0927455280652457,0.11239805359468165,0.0841914536358029
EOS-2-19959,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5)n34)c2)o1,MJTDOZPDZYKHKW-UHFFFAOYSA-N,2,1,0.293,42,725,435.451,3.612,6,0.413,0.73,1.0,0.1037625933794805,0.0895243643341786,0.3342300047974779,0.2885168939757385,0.20400846412171886
EOS-2-19960,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)cc2)o1,YACVDMQOTSFYPB-UHFFFAOYSA-N,2,1,0.304,9,508,435.451,3.612,6,0.413,0.7,1.0,0.1713898978822562,0.10532177369611405,0.26409259132341856,0.23830614762524843,0.1947776026317593
EOS-2-19961,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cn(C)nn6)c5)n34)cc2)o1,LYHXEBDCFPVHSW-UHFFFAOYSA-N,2,1,0.316,9,764,435.451,3.612,6,0.413,0.77,1.0,0.06978616955657597,0.06872387087930916,0.24985436227811664,0.2352563223905147,0.15590518127612912
EOS-2-19962,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5ccn(C)n5)n34)cc2)no1,XGQPKRVZONDPLT-UHFFFAOYSA-N,2,1,0.296,38,725,435.451,3.612,6,0.413,0.71,1.0,0.05870913576862449,0.08297066684942773,0.17031046535535604,0.1537677335343705,0.1164395003769447
EOS-2-19963,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)c5)n34)cc2)o1,KCSDYGZQANXYGW-UHFFFAOYSA-N,2,1,0.324,9,598,435.451,3.612,6,0.413,0.75,1.0,0.1062127338770475,0.05719279007607429,0.2141217188677952,0.20896443012816118,0.14662291823726953
EOS-2-19964,CCn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)cn1,ZWPSTGULOIGEPA-UHFFFAOYSA-N,2,1,0.282,42,725,435.451,3.787,6,0.402,0.69,1.0,0.07995510931396066,0.06873243780412583,0.35648687547118085,0.3103882530326914,0.20389066890548968
EOS-2-19965,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)c1,CDDUJCKCEKUTEU-UHFFFAOYSA-N,2,1,0.517,40,425,435.451,3.341,6,0.427,0.65,1.0,0.4103385648687547,0.3170704543896923,0.4189997258584059,0.35772051264478105,0.3760323144404085
EOS-2-19966,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)nn1C,VEMHCLRTDUUWNR-UHFFFAOYSA-N,2,1,0.282,38,424,435.451,3.612,6,0.413,0.68,1.0,0.10116681516003015,0.07959529847166061,0.2678534713179357,0.21767699266671237,0.16657314440408472
EOS-2-19967,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cn5)n34)cc2)o1,FDTMSNSICHLYBO-UHFFFAOYSA-N,2,1,0.307,38,42,435.451,3.612,6,0.413,0.74,1.0,0.14979268041943664,0.0829792337742444,0.20373860598999383,0.16704646700020562,0.15088924679597013
EOS-2-19968,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)o1,VDSIEBLEASGJHB-UHFFFAOYSA-N,2,1,0.315,38,42,435.451,3.612,6,0.413,0.74,1.0,0.11412857240764855,0.0687410047289425,0.2037471729148105,0.17517647865122335,0.14044830717565623
EOS-2-19969,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)c1,LVOUZQXLEZAMHM-UHFFFAOYSA-N,2,1,0.484,40,932,435.451,3.341,6,0.427,0.6,1.0,0.36794085395106574,0.28102083476115414,0.42643581659927354,0.3644712494003153,0.35996718867795213
EOS-2-19970,Cc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)ccc1-c1nncn1C,WIXIJJJKVQZUGI-UHFFFAOYSA-N,2,1,0.28,9,340,435.451,3.612,6,0.413,0.68,1.0,0.17688129668974026,0.08298780069906106,0.2974179288602563,0.2767202385031869,0.20850181618806113
EOS-2-19971,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)nc2)o1,VNKBMNDOMLXOBT-UHFFFAOYSA-N,2,1,0.3,38,193,435.451,3.612,6,0.413,0.7,1.0,0.10622130080186416,0.07251901857309301,0.24986292920293332,0.22632958673154685,0.1637332088273593
EOS-2-19972,Cn1cnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,KUBGJOQCYKAACF-UHFFFAOYSA-N,2,1,0.471,67,722,435.451,3.769,6,0.439,0.68,1.0,0.4564628880816942,0.3016756904941402,0.39771091768898637,0.3706908368172161,0.3816350832705092
EOS-2-19973,Cn1ccnc1-c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnco5)cn4)n23)cn1,PMANCCZRYVJEFF-UHFFFAOYSA-N,2,1,0.341,80,809,435.451,3.228,6,0.406,0.61,1.0,0.14120005482831882,0.08299636762387773,0.22124940031526283,0.18912343225275854,0.15864231375505447
EOS-2-19974,c1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc(-n2cccn2)c1,LKUYKGURCHSSFW-UHFFFAOYSA-N,2,1,0.458,81,763,435.451,3.341,6,0.427,0.55,1.0,0.3818107052292509,0.2655918031663354,0.3412291823726955,0.2975892673565897,0.3215552395312179
EOS-2-19975,N=c1[nH]nc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccn2)s1,GSSZWAGSRBXSBC-UHFFFAOYSA-N,2,1,0.523,75,583,435.448,2.273,5,0.391,0.57,0.999,0.6663182783907888,0.49267527928174903,0.18007675964635733,0.15659481872387088,0.3739162840106915
EOS-2-19976,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)s1,GLNIZBONYPWCPK-UHFFFAOYSA-N,2,1,0.479,87,307,435.448,2.273,5,0.418,0.54,0.997,0.5311322047837708,0.4441864848194092,0.17373723528202317,0.16705503392502227,0.3290277397025564
EOS-2-19977,c1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)c1,ZJYIOMJADQKZSS-UHFFFAOYSA-N,2,1,0.54,40,932,435.447,4.211,6,0.387,0.66,1.0,0.3255260091837434,0.2347508738263313,0.5520183674868069,0.4868240696319649,0.3997798300322116
EOS-2-19978,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)cc1,ZZXMYHNGJUWBST-UHFFFAOYSA-N,2,1,0.519,41,722,435.447,4.639,6,0.389,0.68,1.0,0.5466212048523063,0.3311716126379275,0.5385768624494551,0.44976355287506,0.4665333082036872
EOS-2-19979,COc1cc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)ccc1-c1ncco1,MFNDKLUVFFZUPT-UHFFFAOYSA-N,2,1,0.309,30,668,435.447,4.308,6,0.398,0.68,0.998,0.16056987183880475,0.09249708724556233,0.5249211842916867,0.43718730724419164,0.30379386265506136
EOS-2-19980,c1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cc2)cn1,BLANJHXHGHNUJL-UHFFFAOYSA-N,2,1,0.494,77,933,435.447,4.211,6,0.387,0.69,1.0,0.5878281132204783,0.3408865053800288,0.6514460969090535,0.5526351860736071,0.533198975395792
EOS-2-19981,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)nc2)c1,BBFSMCCHHCJDGN-UHFFFAOYSA-N,2,1,0.56,41,25,435.447,4.211,6,0.387,0.64,1.0,0.40154890000685356,0.34089507230484545,0.6007470358440135,0.5332139675142211,0.4691012439174834
EOS-2-19982,COc1c[nH]nc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnco5)c4)n23)cc1,RIPSXGUFYPXORX-UHFFFAOYSA-N,2,1,0.345,69,38,435.447,4.512,6,0.424,0.63,1.0,0.3182098553903091,0.15410184360222054,0.6303114933863341,0.5526437529984237,0.4138167363443219
EOS-2-19983,c1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)nc5)n34)cc2)c1,PMWWBUCOQDKFQG-UHFFFAOYSA-N,2,1,0.511,40,2,435.447,4.211,6,0.387,0.69,1.0,0.4352511822356247,0.25538859570968403,0.6069666232609142,0.5227023507641697,0.45507718799259816
EOS-2-19984,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccoc6)cc5)n34)cn2)n[nH]1,MMZPGJXDADRTFR-UHFFFAOYSA-N,2,1,0.444,28,78,435.447,4.415,6,0.413,0.64,1.0,0.5652885340278254,0.40806832979233776,0.6397351106846686,0.5939791652388459,0.5517677849359194
EOS-2-19985,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)cc1,PUKMXBWZUHSEOQ-UHFFFAOYSA-N,2,1,0.519,67,722,435.447,4.639,6,0.389,0.75,1.0,0.44248166678089235,0.2810294016859708,0.5385854293742718,0.502835652114317,0.441233037488863
EOS-2-19986,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)c1,LNUKYELPSIZMEL-UHFFFAOYSA-N,2,1,0.512,77,603,435.447,4.211,6,0.387,0.67,1.0,0.5681241861421424,0.4080768967171544,0.6364197107806182,0.5690751147967925,0.5454239771091769
EOS-2-19987,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)c1,PXWMRPJLNNDYSE-UHFFFAOYSA-N,2,1,0.56,41,25,435.447,4.211,6,0.387,0.67,1.0,0.442490233705709,0.36508806798711535,0.609887944623398,0.5332225344390378,0.48767219518881505
EOS-2-19988,c1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)cc2)cn1,LDRZTKRZJYDPTP-UHFFFAOYSA-N,2,1,0.494,77,933,435.447,4.211,6,0.387,0.73,1.0,0.5568244123089576,0.2968953464464396,0.6817216092111575,0.6026574600781304,0.5345247070111713
EOS-2-19989,Cc1cccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cc1,RCLCWBILMRCAAK-UHFFFAOYSA-N,2,1,0.524,77,603,464.554,5.593,6,0.321,0.68,1.0,0.5005568501130834,0.4033907888424371,0.7605116167500514,0.6760674388321568,0.5851316736344322
EOS-2-19990,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)cc1,KIRMEDOHMCIECO-UHFFFAOYSA-N,2,1,0.544,41,190,464.554,5.499,6,0.326,0.7,1.0,0.7058118017956274,0.40808546364197107,0.7105236104447947,0.6528596395038038,0.6193201288465493
EOS-2-19991,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccs6)cc5)n34)cc2)n1,YAPWGEMIMBZXEH-UHFFFAOYSA-N,2,1,0.524,77,427,464.554,5.499,6,0.326,0.69,1.0,0.587836680145295,0.4263158796518402,0.7105321773696114,0.6443698170104859,0.5922636385443081
EOS-2-19992,COc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)s2)cn1,WNYMAYGTZZMIIK-UHFFFAOYSA-N,2,1,0.542,4,32,435.444,3.432,5,0.4,0.75,1.0,0.5907494345829621,0.7742015626070866,0.26068295524638474,0.2410304297169488,0.46666609553834554
EOS-2-19993,COc1ncc(COc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)s1,VCUSYMJBVFMADW-UHFFFAOYSA-N,2,1,0.44,2,422,435.444,3.432,5,0.4,0.69,1.0,0.5965578096086629,0.5865773421972449,0.29360564731683914,0.23831471455006512,0.428763878418203
EOS-2-19994,COc1ccccc1-c1nnc2cncc(OCc3ncc(-c4nc(F)cs4)cn3)n12,QTIBXFAXMXBAFQ-UHFFFAOYSA-N,2,1,0.517,97,946,435.444,3.432,5,0.4,0.7,1.0,0.6633027208553218,0.6052618052223974,0.24623912000548284,0.18617641011582484,0.4252450140497567
EOS-2-19995,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2F)cc1=O,YCMZVQKXQROBOS-UHFFFAOYSA-N,2,1,0.5,16,605,435.444,2.727,5,0.418,0.73,1.0,0.4905249811527654,0.42632444657665686,0.4228891097251731,0.39604036734973613,0.4339447262010829
EOS-2-19996,COc1cnc(F)cc1-c1ccc(-c2nnc3cncc(OCc4ccns4)n23)cn1,ZPNFUYADXTYVAT-UHFFFAOYSA-N,2,1,0.44,55,879,435.444,3.432,5,0.374,0.66,1.0,0.6600815571242546,0.6383558357891851,0.437487149612775,0.3321311082173943,0.5170139126859022
EOS-2-19997,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cc2)s1,MQAHKYKINUVPPA-UHFFFAOYSA-N,2,1,0.542,72,992,435.444,3.432,5,0.374,0.73,1.0,0.7716143513124529,0.5912977177712289,0.3449472277431293,0.2649664176547187,0.49320642862038244
EOS-2-19998,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1cscn1,ZVOFZSNVPARJFK-UHFFFAOYSA-N,2,1,0.413,49,501,435.444,3.432,5,0.4,0.66,0.999,0.6633112877801385,0.5155318346926188,0.3601278185182647,0.27965869371530394,0.45465740867658144
EOS-2-19999,COc1cc(-c2nnc3cncc(OCc4ccncc4)n23)c(F)cc1-c1cnns1,MLAVRKNDLVGWAJ-UHFFFAOYSA-N,2,1,0.494,16,256,435.444,3.432,5,0.4,0.63,1.0,0.5337879514769378,0.605270372147214,0.5686210677815091,0.46873072441916247,0.5441025289562058
EOS-2-20000,COc1cc(-c2nnc3cncc(OCc4ncc(F)s4)n23)ccc1-c1cnccn1,KUEWLAXDTSIVMW-UHFFFAOYSA-N,2,1,0.512,16,248,435.444,3.432,5,0.4,0.57,1.0,0.6786889178260571,0.6429562744157358,0.37544548009046674,0.2827342197244877,0.49495622301418685
EOS-2-20001,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccc2F)cc1=O,XIPXJEPXZFCYQH-UHFFFAOYSA-N,2,1,0.512,16,605,435.444,2.727,5,0.418,0.64,1.0,0.4881091083544651,0.47045267630731274,0.4011376876156535,0.3960489342745528,0.43893710163799604
EOS-2-20002,O=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)s1,QYQYCDUJKYJQOW-UHFFFAOYSA-N,2,1,0.529,15,438,435.444,2.759,5,0.408,0.42,1.0,0.6218730724419163,0.5247926804194366,0.33423857172229454,0.3256116784319101,0.45162900075388934
EOS-2-20003,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C)c(C)n6)cc5)n34)s2)nn1,GTPLIOMBZYZYLS-UHFFFAOYSA-N,2,1,0.311,38,865,464.558,4.994,6,0.365,0.61,1.0,0.14402714001781922,0.15776848742375438,0.3008618326365568,0.24408882187649922,0.2116865704886574
EOS-2-20004,Cc1cccc(-c2nc(C)sc2-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)c1,UDNGUTJMBUVAPQ-UHFFFAOYSA-N,2,1,0.27,38,193,464.558,4.994,6,0.365,0.63,1.0,0.04285175793297238,0.04955109313960661,0.2319580563360976,0.2263381536563635,0.13767476526626002
EOS-2-20005,Cn1cccc1CCOc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)c4)cc3)n12,NXCFSPAKRFVQRP-UHFFFAOYSA-N,2,1,0.547,15,519,435.438,4.01,5,0.386,0.63,1.0,0.5937564251936125,0.6533650880679871,0.7987372352820231,0.6760760057569735,0.6804836885751491
EOS-2-20006,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc6cc(F)ccc6c5)n34)cc2)c1,VYJXICHCKHCSNL-UHFFFAOYSA-N,2,1,0.37,83,107,435.437,5.952,6,0.345,0.84,1.0,0.4239342745528065,0.6676975532862723,0.9617401137687616,0.9764923583030636,0.757466074977726
EOS-2-20007,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc6ccccc6c5)n34)cc2)cc1F,VZORMAPWAUOBQE-UHFFFAOYSA-N,2,1,0.333,93,107,435.437,5.952,6,0.345,0.85,1.0,0.43782982660544173,0.7022993626207936,0.9650726475224454,0.9757213350695634,0.770230792954561
EOS-2-20008,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnsn6)s5)n34)s2)n(C)n1,LSLTYWRKVCPIPH-UHFFFAOYSA-N,2,1,0.235,99,794,464.565,3.599,6,0.389,0.42,0.921,0.01028030978000137,0.0058769104242341165,0.007033445274484271,0.006939209101500925,0.00753246864505517
EOS-2-20009,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)ccn1,YWERLZWCBZPTAI-UHFFFAOYSA-N,2,1,0.305,38,154,435.426,3.84,6,0.419,0.72,1.0,0.29208073469947227,0.3891782605715852,0.6188746487560826,0.6295833047769173,0.4824292372010143
EOS-2-20010,Fc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)cn2)c1,YWYJLTPMQCYXEU-UHFFFAOYSA-N,2,1,0.343,42,106,435.426,3.635,6,0.417,0.73,1.0,0.009594955794667947,0.12491433075183332,0.5078473031320677,0.5561390583236242,0.2996239120005483
EOS-2-20011,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)n2)c1,AYNXQEWMXZPTSB-UHFFFAOYSA-N,2,1,0.345,3,158,435.426,3.635,6,0.417,0.76,1.0,0.028125214173120416,0.2096583510383113,0.415255979713522,0.5432030018504558,0.2990606366938524
EOS-2-20012,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nn2)c1,WHIWBRSAZOMSCX-UHFFFAOYSA-N,2,1,0.322,3,783,435.426,3.635,6,0.417,0.67,1.0,0.02354190939620314,0.17401137687615653,0.606975190185731,0.6644164210814886,0.3672362243848948
EOS-2-20013,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,BRBIQFKIWLJGKY-UHFFFAOYSA-N,2,1,0.295,9,7,435.426,3.84,6,0.419,0.75,1.0,0.28385648687547116,0.32647693783839354,0.6188832156808992,0.6180950585977657,0.4618279247481324
EOS-2-20014,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,QUULZAGVLHWECQ-UHFFFAOYSA-N,2,1,0.337,42,7,435.426,3.84,6,0.448,0.73,1.0,0.2949592214378727,0.35575011993694744,0.6188917826057159,0.6295918717017339,0.4747982489205675
EOS-2-20015,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)cn2)cc1,KVYAZPPJOZWCSC-UHFFFAOYSA-N,2,1,0.33,42,673,435.426,3.635,6,0.417,0.76,1.0,0.006545130559934206,0.12492289767664999,0.5215115482146528,0.5657511479679255,0.30468268110479063
EOS-2-20016,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ncc1-c1nc[nH]n1,JNQYPTAXPSLWTI-UHFFFAOYSA-N,2,1,0.294,30,301,435.426,3.84,6,0.448,0.62,0.998,0.232669111095881,0.31707902131450894,0.480013364402714,0.5561476252484409,0.3964772805153862
EOS-2-20017,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nn5)n34)cc2)cc1,WJBUKCCJTVRVIU-UHFFFAOYSA-N,2,1,0.392,3,74,435.426,3.84,6,0.448,0.65,0.993,0.2781851826468371,0.4486070180248098,0.5419093962031389,0.6296004386265506,0.4745755088753341
EOS-2-20018,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,XWUXNZMUUMZBIF-UHFFFAOYSA-N,2,1,0.346,3,158,435.426,3.635,6,0.417,0.81,1.0,0.041378246864505516,0.20966691796312795,0.37931773010760056,0.49286375162771573,0.2808066616407374
EOS-2-20019,Fc1cnn(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)c1,YFIDLNLTHJWZLB-UHFFFAOYSA-N,2,1,0.316,10,945,435.426,3.635,6,0.417,0.64,0.991,0.03544136796655473,0.1350918374340347,0.4114351312452882,0.48403981906654786,0.26650203892810637
EOS-2-20020,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncccn6)nn5)n34)cc2)c1,ZXKCOPWSRBYZIF-UHFFFAOYSA-N,2,1,0.366,3,774,435.426,3.635,6,0.417,0.7,1.0,0.010288876704818038,0.1908453841409088,0.429956822698924,0.5394164210814886,0.2926268761565348
EOS-2-20021,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1,HNGIDNCRZLUUQQ-UHFFFAOYSA-N,2,1,0.31,30,158,435.426,3.635,6,0.417,0.74,0.974,0.028133781097937086,0.18675896100335823,0.28296552669453773,0.4433983277362758,0.23531414913302723
EOS-2-20022,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cn3)n12,PPBVHYQKURRGKS-UHFFFAOYSA-N,2,1,0.321,32,154,435.426,3.84,6,0.448,0.76,1.0,0.27819374957165377,0.3891868274964019,0.5419179631279556,0.572159207730793,0.44536443698170103
EOS-2-20023,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)nc1,SETSQFXVGCWRDM-UHFFFAOYSA-N,2,1,0.321,38,154,435.426,3.84,6,0.448,0.7,1.0,0.31821842231512576,0.365096634911932,0.5653656363511754,0.5877424439723117,0.4591057843876363
EOS-2-20024,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cn5)n34)cc2)c1,HRADLGUXKRZLIM-UHFFFAOYSA-N,2,1,0.37,93,74,435.426,3.84,6,0.448,0.8,1.0,0.30538516893975737,0.41750908094030564,0.6189003495305325,0.6936467685559592,0.5088603419916387
EOS-2-20025,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3cnc(-c4ccccc4)nc3)n12,PFGQQNIVTKZRGF-UHFFFAOYSA-N,2,1,0.351,42,553,435.426,3.84,6,0.448,0.68,1.0,0.2893307518333219,0.33602049208416146,0.5111712699609349,0.5561561921732575,0.4231696765129189
EOS-2-20026,Fc1ccc(-n2nnnc2-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,UTEUDYAYTOWVNJ-UHFFFAOYSA-N,2,1,0.327,30,298,435.426,3.635,6,0.417,0.69,0.998,0.034156329244054554,0.18236412857240764,0.37932629703241727,0.5363066273730381,0.2830383455554794
EOS-2-20027,Fc1ncccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nn1,RPEJZFUZCXNCNY-UHFFFAOYSA-N,2,1,0.279,30,301,435.426,3.635,6,0.39,0.77,1.0,0.002672880542800356,0.092505654170379,0.41144369817010484,0.5028442190391337,0.2523666129806045
EOS-2-20028,Fc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)c1,PWOSFYUTYAPKSD-UHFFFAOYSA-N,2,1,0.326,3,171,435.426,3.635,6,0.417,0.77,1.0,0.0269858131725036,0.22996196285381398,0.5520269344116236,0.6123466520457816,0.3553303406209307
EOS-2-20029,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,MCJSNBSLFBOJCX-UHFFFAOYSA-N,2,1,0.31,3,158,435.426,3.635,6,0.417,0.71,1.0,0.07765060653827702,0.26560037009115206,0.32293879788910973,0.4530532520046604,0.2798107566307998
EOS-2-20030,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cn1,DHSVCJIGEVKJLX-UHFFFAOYSA-N,2,1,0.312,42,106,435.426,3.84,6,0.419,0.69,1.0,0.2920893016242889,0.35076416969364677,0.5975001713384963,0.5967377150298129,0.45927283942156116
EOS-2-20031,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)nc1,CHXVWVJNRLNAAR-UHFFFAOYSA-N,2,1,0.36,93,774,435.426,3.635,6,0.417,0.76,1.0,0.02814234802275375,0.16946233979850592,0.3564954423959975,0.47480467411418,0.2572262010828593
EOS-2-20032,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1,YKSVUDSAVOMFTJ-UHFFFAOYSA-N,2,1,0.321,9,98,435.426,3.84,6,0.419,0.74,1.0,0.297554999657323,0.3460866287437461,0.6678945925570557,0.6905883763964088,0.5005311493386334
EOS-2-20033,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c1,RCGHRMCRHSYDOV-UHFFFAOYSA-N,2,1,0.309,42,7,435.426,3.84,6,0.448,0.7,1.0,0.31044822150640805,0.3220221369337263,0.627373038174217,0.6325988623123844,0.4731105647316839
EOS-2-20034,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cnc1-c1nc[nH]n1,OOYJWPPTBUSREV-UHFFFAOYSA-N,2,1,0.305,32,57,435.426,3.84,6,0.448,0.65,1.0,0.2568021383044342,0.3409036392296621,0.490250839558632,0.5363151942978548,0.4060679528476458
EOS-2-20035,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,HSKNYFPBVUNEJK-UHFFFAOYSA-N,2,1,0.309,9,7,435.426,3.84,6,0.419,0.63,1.0,0.23833184839969845,0.3170875882393256,0.6038482626276471,0.5939877321636625,0.43831385785758337
EOS-2-20036,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,JRUWMDNFIOXFMQ-UHFFFAOYSA-N,2,1,0.321,9,7,435.426,3.84,6,0.419,0.72,1.0,0.25191899115893357,0.30678157768487424,0.6332499485984511,0.6211448838324994,0.4532738503186896
EOS-2-20037,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,RKUPLSUTMSBVSY-UHFFFAOYSA-N,2,1,0.301,10,195,435.426,3.635,6,0.39,0.76,0.675,0.020474950311836063,0.15411041052703722,0.3754540470152834,0.41815160030155574,0.2420477520389281
EOS-2-20038,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,VGVRLXBGSHFZOX-UHFFFAOYSA-N,2,1,0.321,9,7,435.426,3.84,6,0.448,0.62,1.0,0.33072613254746075,0.37499143307518334,0.5753204029881434,0.5817198958261942,0.46568946610924544
EOS-2-20039,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,CNXUDXNDIUNHMJ-UHFFFAOYSA-N,2,1,0.342,9,7,435.426,3.84,6,0.448,0.66,1.0,0.3053937358645741,0.3557586868617641,0.5909464738537454,0.5908693715303954,0.4607420670276198
EOS-2-20040,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)ccn1,KNEFJNIRRRBSTK-UHFFFAOYSA-N,2,1,0.305,9,7,435.426,3.84,6,0.419,0.73,1.0,0.2597148927421013,0.28646939894455486,0.6364282777054349,0.6266962511137002,0.4523272051264478
EOS-2-20041,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)nc1,RGAHFCZBLKFGAR-UHFFFAOYSA-N,2,1,0.333,42,150,435.426,3.635,6,0.417,0.72,1.0,0.03416489616887122,0.18237269549722432,0.5005225824138168,0.5060482489205674,0.30577710575011996
EOS-2-20042,Fc1cc(-c2nnc3cncc(-c4cnc(-c5c[nH]nn5)nc4)n23)ccc1-c1ccccc1,WCRXWBIZQQNCSA-UHFFFAOYSA-N,2,1,0.341,3,553,435.426,3.84,6,0.448,0.69,1.0,0.2080563360975944,0.3119817010485916,0.5584692618737578,0.6358028921938181,0.4285775478034405
EOS-2-20043,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)ccc1-c1nc[nH]n1,WWUNGAZOCOSILB-UHFFFAOYSA-N,2,1,0.31,32,693,435.426,3.84,6,0.448,0.7,1.0,0.3001165101775067,0.35576725378658075,0.5486944006579398,0.5721677746556096,0.44418648481940926
EOS-2-20044,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)c1,AYQXBHAUAQHEHF-UHFFFAOYSA-N,2,1,0.298,10,37,435.426,3.635,6,0.417,0.74,0.996,0.004763210198067302,0.09588102254814612,0.5215201151394695,0.5998046741141799,0.3054922554999657
EOS-2-20045,Fc1ccccc1-n1cnc(-c2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)n1,XSGINRMDJHAMMQ-UHFFFAOYSA-N,2,1,0.3,3,289,435.426,3.635,6,0.417,0.72,0.955,0.022505311493386335,0.1782263038859571,0.42289767664998973,0.512918922623535,0.28413705366321707
EOS-2-20046,Fc1cc(-c2cncnc2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,LSKQDMBTYBEDPZ-UHFFFAOYSA-N,2,1,0.31,9,7,435.426,3.84,6,0.448,0.75,1.0,0.30540230278939073,0.38919539442121853,0.692644438352409,0.7018967171544103,0.5222847131793571
EOS-2-20047,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)c1,KTSYAXXWZXFVHL-UHFFFAOYSA-N,2,1,0.364,10,871,435.426,3.635,6,0.417,0.74,0.708,0.03417346309368789,0.17823487081077377,0.4412908642313755,0.5129274895483518,0.2916566719210472
EOS-2-20048,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)c5)n34)cc2)ccn1,BUINDNBDFOVAIL-UHFFFAOYSA-N,2,1,0.347,42,150,435.426,3.635,6,0.39,0.69,1.0,0.0082499485984511,0.17824343773559043,0.6218216708930162,0.6296090055513672,0.3594810156946062
EOS-2-20049,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)ccc1-c1nc[nH]n1,MHTINQHGCVHKOT-UHFFFAOYSA-N,2,1,0.313,9,7,435.426,3.84,6,0.448,0.7,1.0,0.29496778836268933,0.375,0.6978873963402097,0.7073624151874444,0.5188043999725859
EOS-2-20050,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2)cn1,QUHULPNCZFGSHF-UHFFFAOYSA-N,2,1,0.299,9,7,435.426,3.84,6,0.419,0.66,1.0,0.2435062709889658,0.32203070385854293,0.6069837571105476,0.629617572476184,0.45053457610856007
EOS-2-20051,Fc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)c1,MXTZQADUUBNXGX-UHFFFAOYSA-N,2,1,0.341,3,115,435.426,3.635,6,0.417,0.76,1.0,0.038379823178671786,0.21450723048454526,0.42996538962374065,0.4807586868617641,0.29090278253718044
EOS-2-20052,Fc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)cc1,UEDFCVYORSANPQ-UHFFFAOYSA-N,2,1,0.329,42,150,435.426,3.635,6,0.417,0.73,1.0,0.01664553491878555,0.17401994380097321,0.45211945719964364,0.4840483859913645,0.2817083304776917
EOS-2-20053,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nn2)c1,KVMZCVJAVKHPGA-UHFFFAOYSA-N,2,1,0.333,3,50,435.426,3.635,6,0.417,0.64,1.0,0.025675073675553422,0.1694709067233226,0.5487029675827565,0.6090569529161812,0.3382264752244534
EOS-2-20054,Fc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)n1,NFJDFBIRKABWFB-UHFFFAOYSA-N,2,1,0.4,93,774,435.426,3.635,6,0.417,0.72,1.0,0.009603522719484614,0.15002398738948666,0.4374957165375917,0.5461928586114728,0.28582902131450894
EOS-2-20055,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,YEYYLIJLAPAPSX-UHFFFAOYSA-N,2,1,0.329,9,171,435.426,3.84,6,0.448,0.69,1.0,0.28652936741827156,0.35577582071139746,0.7055376602014941,0.7102580357754781,0.5145252210266603
EOS-2-20056,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)cn1,DJLNNFXOIODHIH-UHFFFAOYSA-N,2,1,0.333,38,154,435.426,3.84,6,0.419,0.7,1.0,0.23565040093208142,0.3016842574189569,0.6303200603111507,0.6267048180385169,0.4485898841751765
EOS-2-20057,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)nc1,QEZQFENXSIQVSE-UHFFFAOYSA-N,2,1,0.277,10,195,435.426,3.635,6,0.417,0.74,0.584,0.02138304434240285,0.12123912000548283,0.4483243095058598,0.5163028579261189,0.2768123329449661
EOS-2-20058,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)nc1,LZAIMEFJKPBSDA-UHFFFAOYSA-N,2,1,0.311,10,37,435.426,3.635,6,0.417,0.72,1.0,0.02815091494757042,0.15003255431430335,0.42997395654855736,0.49898910287163317,0.2767866321705161
EOS-2-20059,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cc2)ccn1,FKPQQTTYKMKKSE-UHFFFAOYSA-N,2,1,0.301,38,620,435.426,3.635,6,0.39,0.74,1.0,0.013467205811801795,0.1617521074635049,0.5877852785963951,0.6238091974504831,0.34670344733054625
EOS-2-20060,Fc1ccccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,PBXNCCOOEPXGQS-UHFFFAOYSA-N,2,1,0.368,38,594,435.426,3.84,6,0.448,0.61,1.0,0.25972345966691796,0.3842437118771846,0.5686296347063258,0.6090655198409979,0.45541558152285655
EOS-2-20061,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cn5)n34)cn2)n1,XGSIFLBSQKULLI-UHFFFAOYSA-N,2,1,0.302,32,191,435.426,3.84,6,0.419,0.68,0.961,0.294976355287506,0.3264855047632102,0.5285107257898705,0.5363237612226716,0.42157408676581454
EOS-2-20062,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cnccn6)n5)n34)cc2)cc1,ZTNLAXBWJINELS-UHFFFAOYSA-N,2,1,0.392,3,550,435.426,3.635,6,0.417,0.74,0.999,0.03690631211020492,0.23475944075114796,0.4800219313275307,0.5690836817216092,0.3301928414776232
EOS-2-20063,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)c1,UCLQLYFKNPMJFR-UHFFFAOYSA-N,2,1,0.353,32,154,435.426,3.84,6,0.448,0.74,0.998,0.29498492221232264,0.34609519566856284,0.47619251593448014,0.5394249880063052,0.4141744054554177
EOS-2-20064,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cc1,MGUOUPXEPHBITC-UHFFFAOYSA-N,2,1,0.359,3,289,435.426,3.635,6,0.417,0.69,1.0,0.041386813789322185,0.19085395106572545,0.4902594064834487,0.5494225892673565,0.31798069015146324
EOS-2-20065,Fc1cc(-c2c[nH]nn2)ccc1-c1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,UUIYXNCDOJWRST-UHFFFAOYSA-N,2,1,0.304,32,693,435.426,3.84,6,0.448,0.65,1.0,0.18283530943732437,0.22490747721197998,0.6098965115482147,0.6472997052977864,0.41623475087382633
EOS-2-20066,Fc1nc(-c2cnccn2)ccc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,VFDZGZRSYKNMMK-UHFFFAOYSA-N,2,1,0.318,38,50,435.426,3.84,6,0.419,0.67,1.0,0.2865379343430882,0.3461037625933795,0.5846840518127613,0.5847868549105613,0.4505281509149476
EOS-2-20067,Fc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)ccn1,HDTWPNHGYUVUIV-UHFFFAOYSA-N,2,1,0.373,93,689,435.426,3.635,6,0.39,0.75,1.0,0.039930436570488656,0.1954458227674594,0.3793348639572339,0.5060568158453841,0.2801919847851415
EOS-2-20068,Fc1ccccc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,SJMOPKZGUXGXBI-UHFFFAOYSA-N,2,1,0.413,9,7,435.426,3.84,6,0.448,0.62,1.0,0.3104567884312247,0.37961757247618394,0.5520355013364403,0.5817284627510109,0.45595958124871494
EOS-2-20069,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cn1,ZJMXMHQMZZYBEL-UHFFFAOYSA-N,2,1,0.325,38,57,435.426,3.84,6,0.448,0.66,1.0,0.2411160989651155,0.3409122061544788,0.5942447399081625,0.5908779384552121,0.4417877458707422
EOS-2-20070,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cc1,YGQIFKOJWPSECI-UHFFFAOYSA-N,2,1,0.354,3,289,435.426,3.635,6,0.417,0.72,0.999,0.03300836131862107,0.20011479679254335,0.5487115345075732,0.6090740867658145,0.347727194846138
EOS-2-20071,CC(C)(O)c1ncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)s1,XHWYQGMLXPHEMK-UHFFFAOYSA-N,2,1,0.53,75,496,464.576,4.22,5,0.385,0.63,1.0,0.48811767527928174,0.29690391337125627,0.22454766636967993,0.10748063874991433,0.2792624734425331
EOS-2-20072,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)cc1,KXDLDIYOMWJVQU-UHFFFAOYSA-N,2,1,0.411,3,186,435.422,4.709,6,0.396,0.75,1.0,0.32553457610856007,0.41751764786512235,0.6842060174079913,0.7424354053868824,0.542423411692139
EOS-2-20073,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)nc2)nc1,HYLNBGKENPLBIJ-UHFFFAOYSA-N,2,1,0.305,69,174,435.422,4.709,6,0.396,0.76,1.0,0.30012507710232333,0.34092077307929547,0.7365841957370982,0.7447827427866494,0.5306031971763416
EOS-2-20074,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)cc1,GZJJJTITZCAREJ-UHFFFAOYSA-N,2,1,0.387,69,641,435.422,4.709,6,0.396,0.79,1.0,0.28386505380028787,0.4572853128640943,0.6069923240353643,0.6672006716469057,0.503835840586663
EOS-2-20075,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,MUCGNZMHQXKWCW-UHFFFAOYSA-N,2,1,0.365,69,30,435.422,4.709,6,0.396,0.76,1.0,0.3632890137756151,0.4661777808237955,0.7490576382701666,0.782160235761771,0.5901711671578371
EOS-2-20076,Fc1cc(-c2ccco2)ccc1-c1nnc2cncc(-c3cccc(-c4cncnn4)c3)n12,ZLYSTPUMAJOYKZ-UHFFFAOYSA-N,2,1,0.333,3,923,435.422,4.709,6,0.396,0.65,1.0,0.3205486258652594,0.3220392707833596,0.7858868480570215,0.8068501130834076,0.558831214447262
EOS-2-20077,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)o5)n34)cc2)c1,IBJOGBHNKFVTJK-UHFFFAOYSA-N,2,1,0.403,93,641,435.422,4.709,6,0.396,0.86,1.0,0.26505208690288534,0.43087348365430744,0.6397436776094853,0.7156551984099787,0.5128311116441642
EOS-2-20078,Fc1cncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)c1,NMSHFBYAJJQPFM-UHFFFAOYSA-N,2,1,0.37,93,651,435.422,4.709,6,0.396,0.87,1.0,0.34736310054142966,0.42193818107052294,0.6007556027688301,0.6877270235076417,0.5144459769721061
EOS-2-20079,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1,OPOADKUQTGUURF-UHFFFAOYSA-N,2,1,0.338,64,885,435.422,4.709,6,0.396,0.81,1.0,0.33564354739222807,0.36510520183674866,0.6427763689945857,0.7102666027002947,0.5134479302309644
EOS-2-20080,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)no5)n34)cc2)nc1,MSZRZYXCYNCRGH-UHFFFAOYSA-N,2,1,0.384,93,203,435.422,4.709,6,0.396,0.83,1.0,0.34512713316427934,0.370099719004866,0.552044068261257,0.6181036255225825,0.47134363648824623
EOS-2-20081,Fc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cn2)n1,SEUOUQKCATXTGV-UHFFFAOYSA-N,2,1,0.356,32,479,435.422,4.709,6,0.37,0.66,1.0,0.3156740456445754,0.3360290590089781,0.6599787540264547,0.6821756562264409,0.49846437872661226
EOS-2-20082,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cn2)cc1,HFRKXJMLGLGCMO-UHFFFAOYSA-N,2,1,0.355,30,641,435.422,4.709,6,0.396,0.83,0.999,0.2492032759920499,0.43560242615310807,0.5653742032759921,0.6501781920361867,0.47508952436433416
EOS-2-20083,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cc2)ccn1,LBEHQPMXLJRUOS-UHFFFAOYSA-N,2,1,0.378,93,641,435.422,4.709,6,0.37,0.84,1.0,0.2865465012679049,0.4356109930779247,0.6218302378178329,0.6730004797477898,0.5042470529778631
EOS-2-20084,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)cc1,NJPNAZQTRYYZOY-UHFFFAOYSA-N,2,1,0.365,32,20,435.422,4.709,6,0.396,0.63,0.998,0.3077496401891577,0.4263330135014735,0.6679031594818724,0.7044325269001439,0.5266045850181619
EOS-2-20085,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cc2)c1,FQEJELDDTJHCHL-UHFFFAOYSA-N,2,1,0.39,93,74,435.422,4.709,6,0.396,0.74,1.0,0.3182269892399424,0.43561956000274143,0.7417414844767323,0.7776283325337536,0.5683040915632924
EOS-2-20086,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)c1,ZPEPFYPEXOASTR-UHFFFAOYSA-N,2,1,0.329,32,818,435.422,4.709,6,0.396,0.77,1.0,0.3156826125693921,0.3604704955109314,0.7417500514015489,0.734425330683298,0.5380821225412926
EOS-2-20087,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)nc1,WBNNICAZKURGGB-UHFFFAOYSA-N,2,1,0.342,69,479,435.422,4.709,6,0.37,0.71,1.0,0.29209786854910563,0.37500856692481666,0.7262610513330136,0.7044410938249606,0.524452145157974
EOS-2-20088,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3ccc(-c4ccccc4)nc3)n12,JQQFDYSWSRNMCQ-UHFFFAOYSA-N,2,1,0.368,30,220,435.422,4.709,6,0.396,0.78,1.0,0.3026694537728737,0.4219467479953396,0.7156980330340621,0.7397453909944486,0.5450149064491809
EOS-2-20089,Fc1ccc(-c2cc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)on2)cn1,RVIHSLDLNALWFP-UHFFFAOYSA-N,2,1,0.338,30,371,435.422,4.709,6,0.37,0.69,0.995,0.2519275580837503,0.32649407168802685,0.6159190596943321,0.6584624083339045,0.4632007744500034
EOS-2-20090,Fc1cc(-c2ccco2)ccc1-c1cncc2nnc(-c3cnc(-c4ccccn4)nc3)n12,ATQSSXBAQUFFFP-UHFFFAOYSA-N,2,1,0.321,32,693,435.422,4.709,6,0.396,0.77,1.0,0.3077582071139744,0.3409293400041121,0.6364368446302515,0.6672092385717223,0.48808340758001506
EOS-2-20091,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)o2)cc1,SBAMDKFYXJUBJN-UHFFFAOYSA-N,2,1,0.403,93,950,435.422,4.709,6,0.396,0.77,1.0,0.2782023164964704,0.4704612432321294,0.6735316290864232,0.7316924816667809,0.538471917620451
EOS-2-20092,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)o1,RARGBVOLGVXIBP-UHFFFAOYSA-N,2,1,0.359,93,641,435.422,4.709,6,0.396,0.82,1.0,0.3182355561647591,0.43970598314029197,0.5721078061818929,0.6443783839353026,0.49360693235556163
EOS-2-20093,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)o2)c1,DTLPWCLVFACITN-UHFFFAOYSA-N,2,1,0.39,93,641,435.422,4.709,6,0.396,0.8,1.0,0.27042354876293606,0.42634158042629017,0.6572716057843876,0.7210352271948461,0.518767990542115
EOS-2-20094,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)nc1,DQGQLABIMGUVMU-UHFFFAOYSA-N,2,1,0.324,32,174,435.422,4.709,6,0.396,0.73,1.0,0.3473716674662463,0.4128915084641217,0.7390514700842985,0.742443972311699,0.5604396545815914
EOS-2-20095,Fc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cn1,IQLCBOCVJZKWCV-UHFFFAOYSA-N,2,1,0.316,69,174,435.422,4.709,6,0.396,0.78,1.0,0.3379823178671784,0.4308820505791241,0.7080049345486944,0.7210437941196628,0.5494782742786649
EOS-2-20096,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)c1,PFJAJJBVXWOLKQ-UHFFFAOYSA-N,2,1,0.38,93,641,435.422,4.709,6,0.396,0.78,1.0,0.24112466588993214,0.42195531492015625,0.5877938455212117,0.6557124254677541,0.4766465629497636
EOS-2-20097,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)o1,FMUPZECMGQDXSJ-UHFFFAOYSA-N,2,1,0.351,30,737,435.422,4.709,6,0.396,0.84,0.997,0.22733191693509697,0.34611232951819615,0.5249297512165033,0.6358114591186348,0.43354636419710785
EOS-2-20098,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)ccn1,TZAOMVGBSCHRHN-UHFFFAOYSA-N,2,1,0.333,69,174,435.422,4.709,6,0.37,0.77,1.0,0.2809951339867041,0.3701082859296827,0.7876859022685216,0.77522102666027,0.5535025872112946
EOS-2-20099,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)cc1,RDILNABZGNVKEC-UHFFFAOYSA-N,2,1,0.384,93,479,435.422,4.709,6,0.396,0.78,1.0,0.3679494208758824,0.4219638818449729,0.7184737166746624,0.7603231444040847,0.5671775409499006
EOS-2-20100,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)cn1,QXKCXGOBJVJXTO-UHFFFAOYSA-N,2,1,0.333,69,174,435.422,4.709,6,0.37,0.82,1.0,0.3156911794942088,0.3937701322733192,0.7836508806798711,0.772719484613803,0.5664579192653005
EOS-2-20101,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)o2)c1,HLFGQYATDFRYCA-UHFFFAOYSA-N,2,1,0.377,30,641,435.422,4.709,6,0.396,0.84,1.0,0.20806490302241107,0.4080940305667877,0.5487201014323898,0.6414741964224522,0.45158830786101023
EOS-2-20102,Fc1cc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)ccc1-c1cnco1,UZTDJFCSXWQNTI-UHFFFAOYSA-N,2,1,0.329,69,696,435.422,4.709,6,0.396,0.78,1.0,0.3657648550476321,0.39867041326845315,0.7157065999588788,0.7526300459187171,0.5581929785484203
EOS-2-20103,Fc1cccnc1-c1cc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)ccn1,BVEONYRAJLAIOG-UHFFFAOYSA-N,2,1,0.342,69,299,435.422,4.709,6,0.396,0.77,1.0,0.3749057638270167,0.4219724487697896,0.7157151668836954,0.7262439174833801,0.5597093242409705
EOS-2-20104,Fc1cc(-c2cncc3nnc(-c4ccnnc4-c4ccccc4)n23)ccc1-c1cnco1,BHKHNVDSCLBFOE-UHFFFAOYSA-N,2,1,0.325,69,220,435.422,4.709,6,0.396,0.6,1.0,0.33799088479199507,0.36047906243574807,0.710540744294428,0.7550630525666506,0.5410184360222055
EOS-2-20105,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1,JGDIKFKHNWYGHH-UHFFFAOYSA-N,2,1,0.373,93,74,435.422,4.709,6,0.396,0.66,1.0,0.3054108697142074,0.41290007538893836,0.7490662051949832,0.7704406826125694,0.5594544582276746
EOS-2-20106,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)nc1,LQGMIIFCDXDWQW-UHFFFAOYSA-N,2,1,0.325,32,299,435.422,4.709,6,0.396,0.72,1.0,0.3104653553560414,0.3604876293605647,0.5721163731067096,0.6358200260434514,0.46972234596669177
EOS-2-20107,Fc1cccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)ccn2)c1,YSNDQXGBSHYSQS-UHFFFAOYSA-N,2,1,0.38,69,152,435.422,4.709,6,0.396,0.74,1.0,0.3182441230895758,0.3986789801932698,0.7580443424028511,0.7727280515386197,0.561923874306079
EOS-2-20108,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccco5)cn4)n23)cc1,RMUANOFPUZGFSS-UHFFFAOYSA-N,2,1,0.329,64,449,435.422,4.709,6,0.396,0.77,0.999,0.3229473648139264,0.3507727366184634,0.5782245905009937,0.6528682064286204,0.47620322459050096
EOS-2-20109,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5noc(-c6cccnc6)n5)n34)cc2)cc1,WGNPQZIEAHIDDC-UHFFFAOYSA-N,2,1,0.403,69,550,435.422,4.709,6,0.396,0.87,1.0,0.2782108834212871,0.4356281269275581,0.6273816050990336,0.707370982112261,0.5121478993900349
EOS-2-20110,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)nc1,UGTFVYCGUPLKCX-UHFFFAOYSA-N,2,1,0.333,32,20,435.422,4.709,6,0.396,0.75,1.0,0.3255431430333767,0.3750171338496333,0.5487286683572065,0.6238177643752998,0.46827667740387907
EOS-2-20111,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)cc1,PWQCRUCMRMUXLH-UHFFFAOYSA-N,2,1,0.365,32,20,435.422,4.709,6,0.396,0.64,0.998,0.27821945034610374,0.3604961962853814,0.6627116030429717,0.7044496607497772,0.5014692276060586
EOS-2-20112,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)nc1,SBAKWWCHUINLQJ-UHFFFAOYSA-N,2,1,0.329,38,983,435.422,4.709,6,0.396,0.76,1.0,0.377321636625317,0.3220478377081763,0.6427849359194023,0.6557209923925708,0.4994688506613666
EOS-2-20113,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)nc1,CEVRYOCVAUZVLE-UHFFFAOYSA-N,2,1,0.351,32,479,435.422,4.709,6,0.396,0.72,1.0,0.32055719279007605,0.38425227880200125,0.6978959632650263,0.6877355904324584,0.5226102563223906
EOS-2-20114,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cccnc3-c3ccccc3)n12,HNKGOXQFGKXRCN-UHFFFAOYSA-N,2,1,0.338,30,923,435.422,4.709,6,0.396,0.7,1.0,0.29499348913713935,0.37502570077445,0.6541446782263038,0.6990353642656432,0.5057998081008841
EOS-2-20115,Fc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)on2)nc1,RUMOEJOJNZNEBB-UHFFFAOYSA-N,2,1,0.375,93,987,435.422,4.709,6,0.396,0.78,1.0,0.3379994517168117,0.36511376876156537,0.5813600849838941,0.6557295593173874,0.4850507161949147
EOS-2-20116,Fc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,BTFWNWGTXDKRHL-UHFFFAOYSA-N,2,1,0.356,69,484,435.422,4.709,6,0.396,0.75,1.0,0.34738023439106297,0.417526214789939,0.765266260023302,0.7500171338496333,0.5700474607634843
EOS-2-20117,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)ccc1-c1ccncc1,XXKAMNPQNWABHJ-UHFFFAOYSA-N,2,1,0.356,69,38,435.422,4.709,6,0.396,0.68,1.0,0.32812178740319375,0.4033993557672538,0.8087005688438078,0.8112021108902748,0.5878559557261326
EOS-2-20118,Fc1cc(-c2nnc3cncc(-c4cnc(-c5ccccc5)cn4)n23)ccc1-c1cnco1,MGNUIYUIVKVLRK-UHFFFAOYSA-N,2,1,0.368,30,594,435.422,4.709,6,0.396,0.72,1.0,0.37491433075183334,0.4397145500651086,0.7184822835994791,0.744791309711466,0.5694756185319718
EOS-2-20119,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ccc(-c4ccco4)nc3)n12,HIZCHHLAYOMBEA-UHFFFAOYSA-N,2,1,0.342,32,191,435.422,4.709,6,0.396,0.76,1.0,0.35880851209649783,0.4308906175039408,0.6789459255705572,0.6760845726817901,0.5361824069631964
EOS-2-20120,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,MQQOHXIZTSBKJO-UHFFFAOYSA-N,2,1,0.338,69,38,435.422,4.709,6,0.396,0.71,1.0,0.3473888013158796,0.4263501473511068,0.7939911589335892,0.802609485299157,0.5925848982249331
EOS-2-20121,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cn2)cc1,BTYDGGBFYISRCS-UHFFFAOYSA-N,2,1,0.431,69,484,435.422,4.709,6,0.396,0.77,1.0,0.3496590363922966,0.47476183949009665,0.7055462271263108,0.7073795490370777,0.5593366630114454
EOS-2-20122,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)o2)c1,DYTKMIKZPNKNJJ-UHFFFAOYSA-N,2,1,0.333,30,737,435.422,4.709,6,0.396,0.81,0.998,0.19969501747652663,0.32205640463299295,0.5419265300527722,0.647308272222603,0.4277465560962237
EOS-2-20123,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)ncc1-c1cncnc1,VWGJAKOBVDKLAK-UHFFFAOYSA-N,2,1,0.333,42,170,435.422,4.709,6,0.396,0.67,1.0,0.32295593173874304,0.3265026386128435,0.7919179631279556,0.7961671578370229,0.5593859228291412
EOS-2-20124,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)ccc1-c1ncco1,HRERBXXWZADXHP-UHFFFAOYSA-N,2,1,0.378,32,20,435.422,4.709,6,0.396,0.7,1.0,0.3307346994722774,0.38920396134603524,0.6817301761359742,0.6790915632924406,0.5201901000616819
EOS-2-20125,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)nc5)n34)cc2)cn1,PWQKYZLWENBACN-UHFFFAOYSA-N,2,1,0.347,69,57,435.422,4.709,6,0.37,0.8,1.0,0.265060653827702,0.37011685285449936,0.7365927626619149,0.7235453361661298,0.5238289013775616
EOS-2-20126,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3noc(-c4ccccc4)n3)n12,GRGGNDQUHWZAMU-UHFFFAOYSA-N,2,1,0.359,30,220,435.422,4.709,6,0.396,0.75,1.0,0.2244277294222466,0.365122335686382,0.5215286820642862,0.6059300253580975,0.42925219313275303
EOS-2-20127,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)nc1,SJBNCRCLHCDZFV-UHFFFAOYSA-N,2,1,0.38,93,651,435.422,4.709,6,0.396,0.83,1.0,0.37733020355013364,0.4486155849496265,0.5520526351860736,0.6501867589610033,0.5070462956617092
EOS-2-20128,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccn6)o5)n34)cc2)c1,DDGRUUQUMSMVQE-UHFFFAOYSA-N,2,1,0.39,93,641,435.422,4.709,6,0.396,0.81,1.0,0.27822801727092045,0.4528647796586937,0.5686382016311425,0.6615122335686382,0.4903108080323487
EOS-2-20129,Fc1ccc(-c2cncnc2-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1,QTHWRVYNTYKMDK-UHFFFAOYSA-N,2,1,0.392,69,30,435.422,4.709,6,0.396,0.76,1.0,0.42642724967445683,0.5201751079432527,0.767664998971969,0.7914382153382222,0.6264263929819752
EOS-2-20130,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3nnc(-c4ccccn4)o3)n12,SJNJGZITFUBJNA-UHFFFAOYSA-N,2,1,0.368,93,641,435.422,4.709,6,0.396,0.78,0.81,0.29756356658213967,0.45287334658351036,0.52493831814132,0.6296261394010007,0.4762503426769926
EOS-2-20131,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)nc2)ccn1,SFAMLJZVEARQSA-UHFFFAOYSA-N,2,1,0.329,32,191,435.422,4.709,6,0.37,0.76,1.0,0.30267802069769034,0.35078130354328013,0.7184908505242958,0.7183195120279624,0.5225674216983072
EOS-2-20132,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3cccc(-c4nnco4)c3)n12,HFONMJBAHWJUPI-UHFFFAOYSA-N,2,1,0.338,69,923,435.422,4.709,6,0.396,0.7,1.0,0.295002056061956,0.40340792269207043,0.7262696182578302,0.7447998766362827,0.5423698684120348
EOS-2-20133,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)o2)cc1,OTLPEZACOJVPHI-UHFFFAOYSA-N,2,1,0.316,30,737,435.422,4.709,6,0.396,0.81,0.998,0.25193612500856694,0.3507898704680968,0.5584778287985744,0.6584709752587211,0.4549186998834899
EOS-2-20134,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cn2)n1,OKVIFJIGCNPRBD-UHFFFAOYSA-N,2,1,0.286,86,165,435.415,1.291,6,0.394,0.66,1.0,0.06236721266534165,0.05720135700089096,0.0312692755808375,0.035013021725721336,0.046462716743197865
EOS-2-20135,Cc1nn(C)c(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,ADENFAIDWXTGAG-UHFFFAOYSA-N,2,1,0.383,96,336,435.413,4.639,5,0.411,0.7,0.996,0.13605989993831813,0.3892125282708519,0.8008189980124735,0.7845332739359879,0.5276561750394079
EOS-2-20136,c1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nn[nH]n6)nc5)n34)cc2)cn1,FZQPMPLVDWLNIT-UHFFFAOYSA-N,2,1,0.424,6,870,435.411,2.616,6,0.429,0.75,1.0,0.4239428414776232,0.3651309026111987,0.2109262559111781,0.20897299705297787,0.3022432492632444
EOS-2-20137,c1cnnc(COc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)nn4)n23)c1,XQYOYOIFULAKBX-UHFFFAOYSA-N,2,1,0.374,53,826,435.411,1.955,6,0.392,0.59,0.295,0.34263415804262903,0.370125419779316,0.08335617846617778,0.10537317524501405,0.22537223288328423
EOS-2-20138,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnccn6)n5)n34)cc2)no1,UDVNSFKJNYDNSR-UHFFFAOYSA-N,2,1,0.315,86,167,435.411,2.459,6,0.402,0.65,1.0,0.15793125899527105,0.13148516208621752,0.05792097868549106,0.06402919607977521,0.10284164896168871
EOS-2-20139,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1,HAYLJMQXEDIFKK-UHFFFAOYSA-N,2,1,0.584,1,138,435.409,5.18,5,0.382,0.8,1.0,0.9234116921389898,0.7528527859639503,0.992521074635049,0.9809214584332808,0.9124267527928176
EOS-2-20140,c1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)cc2)cn1,AIODXYAINIINEC-UHFFFAOYSA-N,2,1,0.416,40,870,435.407,3.486,6,0.396,0.69,1.0,0.4733654307449798,0.3842608457268179,0.39016345692550203,0.3449129600438627,0.39817567336029064
EOS-2-20141,c1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cnoc6)cn5)n34)nc2)cn1,QJBOYQIFWQMWKA-UHFFFAOYSA-N,2,1,0.375,80,318,435.407,3.486,6,0.396,0.63,1.0,0.412446028373655,0.22997052977863067,0.367598176958399,0.30390309094647383,0.32847945651428967
EOS-2-20142,c1cc(-c2ccnc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5)n34)c2)cnn1,FMSAJNPFYOKZRM-UHFFFAOYSA-N,2,1,0.386,81,870,435.407,3.486,6,0.396,0.65,1.0,0.46810533890754574,0.24038791035569873,0.39385580152148586,0.3577290795695977,0.36501953258858205
EOS-2-20143,c1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)cc2)cn1,RVAACFYRYLTOOD-UHFFFAOYSA-N,2,1,0.43,40,870,435.407,3.486,6,0.396,0.68,1.0,0.5311407717085875,0.37013398670413267,0.33424713864711125,0.2914125145637722,0.3817336029059009
EOS-2-20144,c1cc(Oc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc(-c2cncnc2)c1,VTZSZFMEHPROGJ-UHFFFAOYSA-N,2,1,0.378,40,622,435.407,3.486,6,0.396,0.68,1.0,0.5543657048865739,0.40341648961688714,0.3527516962511137,0.28852546090055514,0.3997648379137825
EOS-2-20145,COc1cc(-c2nnc3cncc(OCc4cn(C)nn4)n23)ccc1-c1noc(=O)n1C,IRMGHGKARBEHCI-UHFFFAOYSA-N,2,1,0.5,36,638,435.404,0.861,5,0.377,0.58,1.0,0.15255979713522033,0.1388441505037352,0.020783359605236106,0.007984373929134397,0.08004292029333149
EOS-2-20146,O=c1onc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cc2)o1,NJIKAPJKGDAENG-UHFFFAOYSA-N,2,1,0.333,69,867,435.403,3.524,6,0.409,0.69,1.0,0.32056575971489276,0.1782520046604071,0.36013638544308135,0.3354208073469947,0.298593739291344
EOS-2-20147,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2F)n1,WCWMQRHHFPGSHN-UHFFFAOYSA-N,2,1,0.443,31,814,435.398,2.276,5,0.374,0.61,0.308,0.5818398327736276,0.47046981015694606,0.2109348228359948,0.22327119457199643,0.37162891508464124
EOS-2-20148,Cn1nc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1cnc(F)c(F)c1,GQPVRKODCPZGLD-UHFFFAOYSA-N,2,1,0.392,95,569,435.398,2.276,5,0.374,0.68,0.993,0.4103471317935714,0.2969124802960729,0.22831711328901377,0.23526488931533138,0.2927104036734974
EOS-2-20149,Cn1nc(-c2nnc3cncc(OCc4ccncc4F)n23)cc1-c1cnc(CF)nc1,ZKFCUXLSJXXLAT-UHFFFAOYSA-N,2,1,0.394,51,462,435.398,2.564,5,0.4,0.66,0.982,0.3864882461791515,0.2969210472208896,0.2936142142416558,0.2707833596052361,0.3119517168117332
EOS-2-20150,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)nc1F,NYCDPZUOAMPQFK-UHFFFAOYSA-N,2,1,0.439,31,814,435.398,2.277,5,0.374,0.57,0.927,0.4905335480775821,0.41753478171475567,0.2829740936193544,0.30391165787129054,0.37373852032074567
EOS-2-20151,Cc1cnc(COc2cncc3nnc(-c4cncc(-c5cnn(C(F)F)c5)c4)n23)cn1,ZPZHLYMCROAIMU-UHFFFAOYSA-N,2,1,0.449,92,36,435.398,3.122,5,0.4,0.71,1.0,0.31825269001439244,0.3220649715578096,0.5653827702008087,0.41816016722637245,0.4059651497498458
EOS-2-20152,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,NTQOVZLXKARJPU-UHFFFAOYSA-N,2,1,0.494,27,69,435.398,2.987,5,0.401,0.65,0.869,0.25432629703241727,0.3119902679734083,0.47620108285929685,0.36447981632513193,0.35174936604756357
EOS-2-20153,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)nc1,MVIVWLPIDBOBIS-UHFFFAOYSA-N,2,1,0.595,84,308,435.398,2.276,5,0.4,0.83,1.0,0.745305325200466,0.5292988828730039,0.3489565485573299,0.38672812007401824,0.5025722191762045
EOS-2-20154,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)cc1,ZFGGGFWBRSFYOE-UHFFFAOYSA-N,2,1,0.523,36,734,435.398,2.893,5,0.401,0.66,1.0,0.5681327530669591,0.4704783770817627,0.344955794667946,0.2560653827702008,0.40990807689671716
EOS-2-20155,Cn1ncnc1-c1cc(F)c(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cn1,RREDZWGPYGPQGG-UHFFFAOYSA-N,2,1,0.454,58,954,435.398,2.277,5,0.374,0.61,0.99,0.5965663765334795,0.4618600507161949,0.2141302857926119,0.23832328147488177,0.377719998629292
EOS-2-20156,CCn1nnnc1COc1cncc2nnc(-c3ccc(F)c(-c4ccc(F)nc4)c3)n12,ZXLSJKVWQMIDQK-UHFFFAOYSA-N,2,1,0.462,36,404,435.398,2.717,5,0.375,0.71,1.0,0.47063258172846273,0.49760982797614967,0.21094338976081145,0.3194006579398259,0.3746466143513124
EOS-2-20157,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)cn1,LXRCBDDSAPPHDU-UHFFFAOYSA-N,2,1,0.495,65,468,435.398,2.856,5,0.384,0.64,1.0,0.5236532794188198,0.5338136522513879,0.5385939962990884,0.43419745048317454,0.5075645946131176
EOS-2-20158,Cn1nc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)cc1F,QTGMUGGOGSRAJA-UHFFFAOYSA-N,2,1,0.396,31,814,435.398,2.276,5,0.374,0.56,1.0,0.44010006168185867,0.3750342676992667,0.2936227811664725,0.2885340278253718,0.3493227845932424
EOS-2-20159,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,YAGKJPQPBKSCBD-UHFFFAOYSA-N,2,1,0.549,36,402,435.398,2.893,5,0.401,0.75,1.0,0.5493883215680899,0.4976183949009664,0.5148464807072853,0.44019429785484204,0.5005118737577959
EOS-2-20160,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c1,NSVLNWUVERSFAY-UHFFFAOYSA-N,2,1,0.464,65,349,435.398,2.276,5,0.4,0.63,1.0,0.5207148242067028,0.4219810156946063,0.46969878692344597,0.44977211979987664,0.4655416866561579
EOS-2-20161,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cn1,GBCAUTTXIBJRCQ-UHFFFAOYSA-N,2,1,0.452,92,399,435.398,2.893,5,0.401,0.68,1.0,0.4147333972997053,0.43563669385237475,0.5419350969775889,0.4119320128846549,0.451059300253581
EOS-2-20162,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5F)n34)cn2)n(C)n1,FPUPDUNAVJYQOT-UHFFFAOYSA-N,2,1,0.43,55,45,435.398,2.542,5,0.388,0.66,0.994,0.5105801521485848,0.4747704064149133,0.2678620382427524,0.24409738880131587,0.37432749640189156
EOS-2-20163,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cn2)nn1C,MYGBADKBCJFDDL-UHFFFAOYSA-N,2,1,0.478,7,185,435.398,2.542,5,0.414,0.64,1.0,0.4681139058323624,0.4834744020286478,0.23196662326091427,0.21768555959152902,0.35031012267836337
EOS-2-20164,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cncnc1F,GCVAHJNFYOLKCW-UHFFFAOYSA-N,2,1,0.43,31,235,435.398,2.276,5,0.374,0.65,0.502,0.4401086286066753,0.31199883489822494,0.29363134809128916,0.3071670893016243,0.3382264752244534
EOS-2-20165,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)nn2)cn1,UUFWYVPXIHPMSB-UHFFFAOYSA-N,2,1,0.404,53,44,435.398,2.717,5,0.401,0.61,0.994,0.37958330477691726,0.3120074018230416,0.2900675073675553,0.28554417106435476,0.31680059625796725
EOS-2-20166,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)nn1,BQLCRXMXCJYZFI-UHFFFAOYSA-N,2,1,0.467,92,860,435.398,3.122,5,0.4,0.67,1.0,0.3564440408470975,0.42198958261942293,0.48702110890274825,0.36125008566924816,0.4066762045096292
EOS-2-20167,Cn1nncc1-c1cc(F)c(-c2nnc3cncc(OCCc4cncnc4)n23)cc1F,OOPATVUDIKVWRJ-UHFFFAOYSA-N,2,1,0.517,37,361,435.398,2.277,5,0.4,0.57,1.0,0.6135631553697485,0.4834829689534645,0.4589558632033445,0.4497806867246933,0.5014456685628127
EOS-2-20168,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n(C)n2)nn1,ATPJOQGYWFMCFJ-UHFFFAOYSA-N,2,1,0.488,50,542,435.398,2.954,5,0.415,0.71,1.0,0.28933931875813856,0.38426941265163456,0.397719484613803,0.3867366869988349,0.3645162257556028
EOS-2-20169,FCCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)nn2)cn1,VIOAUOFVMCVNNG-UHFFFAOYSA-N,2,1,0.402,53,44,435.398,2.527,5,0.359,0.7,0.999,0.3380080186416284,0.25539716263450074,0.20027756836406005,0.21210849153587827,0.25144781029401686
EOS-2-20170,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,RXRMVLJMQBKZHY-UHFFFAOYSA-N,2,1,0.484,27,185,435.398,2.893,5,0.401,0.66,0.999,0.5055428003563841,0.47477897333972996,0.3901720238503187,0.31340381056815847,0.4209744020286478
EOS-2-20171,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c(F)c1,JZRMYLBYSVBWGA-UHFFFAOYSA-N,2,1,0.551,37,589,435.398,2.276,5,0.4,0.71,1.0,0.684574395175108,0.6774724145020903,0.29007607429237203,0.3482369268727298,0.500089952710575
EOS-2-20172,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)n5)n34)cn2)n1,LEVMAJPTYXRNMH-UHFFFAOYSA-N,2,1,0.49,58,510,435.398,2.276,5,0.374,0.68,0.995,0.6816016722637243,0.6287094784456172,0.2569477760263176,0.24103899664176548,0.45207448084435614
EOS-2-20173,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)cc1,JSHSRXQVMZFFBR-UHFFFAOYSA-N,2,1,0.576,36,447,435.398,2.276,5,0.374,0.71,1.0,0.7361044479473648,0.6628401069152217,0.28652080049345485,0.3039202247961072,0.4973463950380371
EOS-2-20174,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cn1,QKUIGIXSECBULD-UHFFFAOYSA-N,2,1,0.687,84,360,435.398,2.277,5,0.4,0.79,1.0,0.7658745116852854,0.687358645740525,0.337528270851895,0.3804571311082174,0.5428046398464806
EOS-2-20175,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)cn1,IDVJZACOUAYBKM-UHFFFAOYSA-N,2,1,0.462,51,36,435.398,2.893,5,0.401,0.64,1.0,0.45863888698512784,0.4704869440065794,0.5520612021108903,0.40225995476663695,0.4708617469673086
EOS-2-20176,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2F)nn1,AUBVWFGCLXISTP-UHFFFAOYSA-N,2,1,0.439,31,814,435.398,2.276,5,0.374,0.6,0.961,0.4632992940853951,0.39377869919813585,0.2714001781920362,0.28854259475018845,0.3542551915564389
EOS-2-20177,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)nc1F,HLRAWEAHQDLBCB-UHFFFAOYSA-N,2,1,0.443,31,814,435.398,2.277,5,0.374,0.61,0.692,0.5791326845315605,0.4661863477486122,0.21095195668562813,0.23527345624014803,0.3728861113014872
EOS-2-20178,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)nn1,ZGEANEWIPRVURJ-UHFFFAOYSA-N,2,1,0.478,27,69,435.398,2.893,5,0.401,0.62,1.0,0.36104447947364815,0.3986875471180865,0.44833287643067643,0.35145809060379685,0.38988074840655196
EOS-2-20179,Cc1nc(-c2nnc3cncc(OCc4ncnn4C)n23)ccc1-c1cnc(F)c(F)c1,ATKXRPYCWSAXOW-UHFFFAOYSA-N,2,1,0.35,31,223,435.398,2.542,5,0.388,0.67,0.962,0.3908145432115688,0.37504283462408333,0.2756065382770201,0.252835652114317,0.3235748920567473
EOS-2-20180,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)nc1F,YUNYQJUKJSCJFI-UHFFFAOYSA-N,2,1,0.446,31,773,435.398,2.276,5,0.374,0.58,1.0,0.5005654170379,0.4219981495442396,0.3375368377767117,0.3287471729148105,0.3972118943184154
EOS-2-20181,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,FLRWXVOYAXKTSL-UHFFFAOYSA-N,2,1,0.478,27,69,435.398,2.893,5,0.401,0.71,0.356,0.4681224727571791,0.48349153587828114,0.20734528133781097,0.1861849770406415,0.33628606675347816
EOS-2-20182,Cc1c(COc2cncc3nnc(-c4ccncc4F)n23)c(-c2ncc(F)cn2)nn1C,XBGJMLPIASXBOH-UHFFFAOYSA-N,2,1,0.438,51,775,435.398,2.542,5,0.414,0.57,1.0,0.39736824069631965,0.4441950517442259,0.12732163662531698,0.15919059694332122,0.2820188815022959
EOS-2-20183,Cn1nc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,YUPMZTJEZHXERI-UHFFFAOYSA-N,2,1,0.461,36,51,435.398,2.893,5,0.401,0.76,0.997,0.584949626482078,0.5428945925570557,0.28652936741827156,0.30392879172092385,0.42957559454458233
EOS-2-20184,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)nc1,FTWXLKYTZBOSDI-UHFFFAOYSA-N,2,1,0.398,92,980,435.398,2.717,5,0.401,0.57,1.0,0.5207233911315194,0.4034250565417038,0.3193835240901926,0.32562024535672673,0.39228805428003566
EOS-2-20185,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1ncc(F)cn1,WJXPTRVTOVSQOM-UHFFFAOYSA-N,2,1,0.435,65,263,435.398,2.277,5,0.4,0.55,1.0,0.46813103968199576,0.3067901446096909,0.20375573983962716,0.23233500102803098,0.3027529812898362
EOS-2-20186,Cn1nc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1ccnnc1,WRGKVEFXCLJLDB-UHFFFAOYSA-N,2,1,0.408,95,235,435.398,2.276,5,0.4,0.61,0.999,0.41035569871838806,0.2864779658693715,0.31939209101500926,0.3354293742718114,0.337913782468645
EOS-2-20187,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)nc1F,KTVVHKSAIUGKSV-UHFFFAOYSA-N,2,1,0.448,31,814,435.398,2.277,5,0.374,0.63,0.712,0.6079603865396477,0.4704955109313961,0.20735384826262765,0.2232797614968131,0.3772723768076211
EOS-2-20188,Cn1cc(-c2nnc3cncc(OCc4ncc(C(F)F)cn4)n23)c(-c2ccccn2)n1,CFZBUXAJTMITHF-UHFFFAOYSA-N,2,1,0.424,51,48,435.398,2.893,5,0.401,0.65,0.988,0.3307432663970941,0.26560893701596877,0.34123774929751216,0.3007247618394901,0.30957867863751626
EOS-2-20189,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)nc1F,HOTSBOSUFKRQKQ-UHFFFAOYSA-N,2,1,0.418,31,954,435.398,2.277,5,0.374,0.6,0.992,0.5568329792337743,0.4397231169899253,0.18657048865739154,0.20005482831882668,0.3457953532999794
EOS-2-20190,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)nn1,PPFHDPXRXPGEBI-UHFFFAOYSA-N,2,1,0.488,51,946,435.398,2.893,5,0.401,0.74,1.0,0.4586474539099445,0.4926838462065657,0.5386025632239051,0.462528270851895,0.4881155335480776
EOS-2-20191,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnn(CC(F)F)c(=O)c5)n34)nc2)cn1,MXDOXODEZNZYKL-UHFFFAOYSA-N,2,1,0.287,50,974,435.398,2.076,5,0.416,0.66,1.0,0.15793982592008773,0.21451579740936194,0.360144952367898,0.3514666575286135,0.27101680830649033
EOS-2-20192,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cn2)no1,LXOUWXHKFKZLIE-UHFFFAOYSA-N,2,1,0.56,84,672,435.394,3.444,5,0.4,0.7,1.0,0.6934068946610924,0.7300047974778974,0.48702967582756496,0.48076725378658075,0.5978021554382839
EOS-2-20193,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5F)n34)ccn2)no1,FNAYKNAXRYKXDE-UHFFFAOYSA-N,2,1,0.53,75,583,435.394,3.444,5,0.374,0.66,1.0,0.7483380165855664,0.6239976697964499,0.5078558700568844,0.45306181892947706,0.5833133438420944
EOS-2-20194,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1nc[nH]n1,WFLYKSGLLPFGOS-UHFFFAOYSA-N,2,1,0.642,47,718,435.394,3.442,5,0.436,0.64,1.0,0.9343516551298746,0.7658145432115687,0.8166335412240422,0.7210523610444795,0.8094630251524912
EOS-2-20195,Cc1cc(-c2cc(F)c(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)no1,IIKNPFYHZYTOAE-UHFFFAOYSA-N,2,1,0.5,65,981,435.394,3.444,5,0.4,0.65,0.986,0.7148413405523953,0.6240062367212665,0.5184017545062024,0.49605921458433283,0.5883271365910493
EOS-2-20196,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2F)o1,ZMJVSQGBESZDFL-UHFFFAOYSA-N,2,1,0.533,37,589,435.394,3.444,5,0.4,0.65,1.0,0.8432938112535124,0.7572133506956343,0.4762096497841135,0.4655438283873621,0.6355651600301556
EOS-2-20197,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2F)no1,SRSKTAMJSNGIRB-UHFFFAOYSA-N,2,1,0.588,37,669,435.394,3.444,5,0.374,0.76,1.0,0.8264341032143102,0.7658231101363855,0.514855047632102,0.47778596395038037,0.6462245562332946
EOS-2-20198,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)nc2)o1,YXGPABVFXREMKH-UHFFFAOYSA-N,2,1,0.602,19,308,435.394,3.444,5,0.4,0.81,1.0,0.8362003975053115,0.5959666917963128,0.5386111301487219,0.5028527859639503,0.6184077513535741
EOS-2-20199,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c(F)c2)no1,BLNGYANZPQWZCP-UHFFFAOYSA-N,2,1,0.595,37,669,435.394,3.444,5,0.374,0.73,1.0,0.7971095195668563,0.7528613528887671,0.5148636145569186,0.47481324103899664,0.6349119320128846
EOS-2-20200,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1c[nH]nn1,OOJBHMQJSBGUJP-UHFFFAOYSA-N,2,1,0.511,43,178,435.394,3.442,5,0.436,0.61,1.0,0.8433023781783291,0.7484236858337331,0.8458124871496128,0.770449249537386,0.8019969501747652
EOS-2-20201,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2F)o1,BGLIKHHGDUJWRM-UHFFFAOYSA-N,2,1,0.57,37,619,435.394,3.444,5,0.4,0.72,1.0,0.8567438832156808,0.7253615242272634,0.5316119525735042,0.5060653827702009,0.6549456856966623
EOS-2-20202,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2F)o1,VLHKSNGCSCBTJU-UHFFFAOYSA-N,2,1,0.6,72,669,435.394,3.444,5,0.374,0.74,1.0,0.8859399629908848,0.7914467822630389,0.5386196970735385,0.4928723185525324,0.6772196902199987
EOS-2-20203,COc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ccn(C)n1,HDXZHYJPRDJQEE-UHFFFAOYSA-N,2,1,0.409,13,251,435.394,3.666,5,0.416,0.71,1.0,0.4445634295113426,0.45288191350832707,0.6099050784730313,0.5129360564731684,0.5050716194914673
EOS-2-20204,Cc1nocc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)nn1,QIOOUNBNQITNGG-UHFFFAOYSA-N,2,1,0.512,19,691,435.394,3.444,5,0.4,0.6,0.954,0.6023490507847303,0.49269241313138235,0.4935405386882325,0.5060739496950175,0.5236639880748407
EOS-2-20205,OCc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1,OBRHELIMIOISJW-UHFFFAOYSA-N,2,1,0.511,43,612,435.394,2.722,5,0.437,0.77,1.0,0.5907580015077788,0.5107257898704681,0.7184994174491125,0.6990439311904598,0.6297567850044549
EOS-2-20206,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)cn2)no1,GBWYDVFMSNWXQD-UHFFFAOYSA-N,2,1,0.56,84,166,435.394,3.444,5,0.4,0.78,1.0,0.6600901240490713,0.7207353848262628,0.4870382427523816,0.477794530875197,0.5864145706257282
EOS-2-20207,Cc1noc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)n1,JSAYPRJRIRIYBJ-UHFFFAOYSA-N,2,1,0.517,37,111,435.394,3.444,5,0.374,0.72,1.0,0.7179682681104791,0.6150366664382153,0.4337948050167912,0.4687392913439792,0.5588847577273661
EOS-2-20208,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c2)no1,NKQRRWQQYVEOJE-UHFFFAOYSA-N,2,1,0.547,35,921,435.394,3.444,5,0.4,0.72,1.0,0.7303817421698308,0.5248012473442533,0.5184103214310192,0.4840569529161812,0.5644125659653211
EOS-2-20209,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccc2F)no1,OXJWHVUWYHQDGS-UHFFFAOYSA-N,2,1,0.583,37,669,435.394,3.444,5,0.374,0.79,1.0,0.8479285175793297,0.7914553491878555,0.5111798368857515,0.4840655198409979,0.6586573058734837
EOS-2-20210,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)cc2)no1,UBJILWYHJIAXCC-UHFFFAOYSA-N,2,1,0.553,15,922,435.394,3.444,5,0.4,0.68,1.0,0.8659104927695155,0.6823212939483243,0.49354910561304915,0.44680796381330956,0.6221472140360496
EOS-2-20211,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)cc2)o1,RZGFLQOSVGAMML-UHFFFAOYSA-N,2,1,0.524,27,343,435.394,4.061,5,0.393,0.66,1.0,0.714849907477212,0.6533736549928038,0.6870673702967582,0.529632992940854,0.646230981426907
EOS-2-20212,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)o1,AHFNPCCDBKBCIB-UHFFFAOYSA-N,2,1,0.716,84,360,435.394,3.444,5,0.4,0.75,1.0,0.9078370228222877,0.770038037146186,0.5316205194983209,0.5028613528887671,0.6780892330888904
EOS-2-20213,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)no1,MJWCNZBTGBUGBN-UHFFFAOYSA-N,2,1,0.554,27,430,435.394,4.061,5,0.393,0.66,0.979,0.6786974847508739,0.5959752587211294,0.6897402508395586,0.5432115687752724,0.6269061407717086
EOS-2-20214,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nn2)no1,AJWQMYOQUXUCOM-UHFFFAOYSA-N,2,1,0.512,89,51,435.394,4.061,5,0.393,0.7,1.0,0.7025563703652937,0.6101278185182647,0.6789544924953739,0.602666027002947,0.6485761770954699
EOS-2-20215,OCCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)cn1,OQFZVKLUAMEXAO-UHFFFAOYSA-N,2,1,0.451,13,251,435.394,3.113,5,0.437,0.75,1.0,0.42643581659927354,0.3842779795764512,0.6706874100472894,0.6501953258858201,0.5328991330272086
EOS-2-20216,Cc1ocnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)nc1,ZRRUOBWMPAGREF-UHFFFAOYSA-N,2,1,0.457,27,348,435.394,4.061,5,0.393,0.71,1.0,0.5681413199917758,0.5066307998081009,0.6817387430607909,0.5592231512576246,0.578933503529573
EOS-2-20217,FC(F)COc1cncc2nnc(-c3ccc(-c4noc(Cc5ccccc5)n4)cn3)n12,XQDQBIJZXDHRIX-UHFFFAOYSA-N,2,1,0.494,27,54,435.394,3.471,5,0.383,0.76,1.0,0.5055513672812008,0.5201836748680694,0.4521280241244603,0.43420601740799125,0.47801727092043045
EOS-2-20218,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cc4)n23)cc1,IBACNRXMESTKLZ-UHFFFAOYSA-N,2,1,0.74,43,996,435.394,3.552,5,0.386,0.82,1.0,0.4519566856281269,0.47050407785621273,0.8713847577273662,0.8068586800082242,0.6501760503049825
EOS-2-20219,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)c2)o1,QIQRTPZDWPINQS-UHFFFAOYSA-N,2,1,0.547,84,73,435.394,3.444,5,0.4,0.73,1.0,0.630260091837434,0.5523353437050237,0.5686467685559592,0.5462014255362895,0.5743609074086766
EOS-2-20220,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccc2F)o1,DHXDLMQPHNRIIV-UHFFFAOYSA-N,2,1,0.565,37,125,435.394,3.444,5,0.4,0.72,1.0,0.8933075183332191,0.730013364402714,0.5285192927146871,0.5129446233979851,0.6661961997121513
EOS-2-20221,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1ncnn1C,JTZMAKMYLNCFFY-UHFFFAOYSA-N,2,1,0.617,13,209,435.394,3.666,5,0.416,0.78,1.0,0.6567661572202043,0.5523439106298403,0.7185079843739292,0.632607429237201,0.6400563703652937
EOS-2-20222,Cn1cc(-c2cccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)cn1,PMILBNGWUNFHMP-UHFFFAOYSA-N,2,1,0.623,13,996,435.394,3.981,5,0.398,0.77,1.0,0.5791412514563772,0.6725464327325064,0.822082105407443,0.7183280789527791,0.6980244671372764
EOS-2-20223,COc1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1-c1cn[nH]c1,RHZKZTZRONRRNJ-UHFFFAOYSA-N,2,1,0.462,16,591,435.394,3.442,5,0.408,0.61,1.0,0.8679494208758823,0.682329860873141,0.8458210540744294,0.7397539579192653,0.7839635734356796
EOS-2-20224,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccnn4-c4ccccn4)n23)cc1,NYHDWGDQXTYNTQ-UHFFFAOYSA-N,2,1,0.688,1,996,435.394,3.552,5,0.386,0.74,1.0,0.3657734219724488,0.4835001028030978,0.7105493112192447,0.6443869508601192,0.5510524467137277
EOS-2-20225,Cc1nc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)ccc1-c1ncon1,XOWNMEAYDPDSCE-UHFFFAOYSA-N,2,1,0.506,84,442,435.394,3.444,5,0.4,0.66,1.0,0.6787060516756905,0.547863408950723,0.5005311493386334,0.49288088547734904,0.554995373860599
EOS-2-20226,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccco5)cn4)n23)cc1,BICMJUMYVCFTFH-UHFFFAOYSA-N,2,1,0.784,1,996,435.39,4.627,5,0.368,0.77,1.0,0.8156740456445755,0.795156260708656,0.9108868480570215,0.8591768898636145,0.8452235110684668
EOS-2-20227,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cocn1,OAHWIFYXNPPIAL-UHFFFAOYSA-N,2,1,0.667,43,383,435.39,4.312,5,0.393,0.75,1.0,0.9771177438146803,0.8633318483996985,0.9108954149818381,0.8434908505242958,0.8987089644301283
EOS-2-20228,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)cc1,WYKFREYCRRVXPS-UHFFFAOYSA-N,2,1,0.403,83,3,435.384,5.678,5,0.342,0.86,1.0,0.49054211500239875,0.7700466040710027,0.9965560962236996,0.9960078130354328,0.8132881570831335
EOS-2-20229,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)nc1,XSBRTJYEVNUYPC-UHFFFAOYSA-N,2,1,0.373,83,472,435.384,5.678,5,0.342,0.81,1.0,0.5236618463436364,0.7528699198135838,0.9963590569529162,0.9952453567267494,0.8170340449592215
EOS-2-20230,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)c(F)c5)n34)cn2)cc1,RZLUBESYTKWGGB-UHFFFAOYSA-N,2,1,0.368,83,533,435.384,5.736,5,0.338,0.83,1.0,0.44011719553149203,0.7300219313275307,0.9912446028373655,0.9927438146802824,0.7885318860941676
EOS-2-20231,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,DBMVUMMGXMFOHL-UHFFFAOYSA-N,2,1,0.373,83,3,435.384,5.678,5,0.342,0.82,1.0,0.48063874991433075,0.7784593242409704,0.9962048523062161,0.9955280652456994,0.8127077479268042
EOS-2-20232,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)c2)cc1,LRMLABMXRJPNKN-UHFFFAOYSA-N,2,1,0.364,96,46,435.384,5.736,5,0.338,0.79,1.0,0.44709067233225963,0.7394798163251319,0.9925296415598657,0.995151120553766,0.7935628126927559
EOS-2-20233,Fc1cnc(COc2cncc3nnc(-c4cccc(F)c4F)n23)cc1-c1cnccn1,BIHGYMXNXCJRPW-UHFFFAOYSA-N,2,1,0.489,73,540,435.369,3.64,5,0.416,0.6,1.0,0.7211979987663628,0.8190922486464258,0.8599479130971147,0.8506185319717634,0.8127141731204167
EOS-2-20234,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nn2)c1,RQBTYFJGFOHEEV-UHFFFAOYSA-N,2,1,0.523,34,391,435.369,3.64,5,0.416,0.71,1.0,0.8724813241038997,0.897976492358303,0.8491535878281132,0.8556387499143308,0.8688125385511616
EOS-2-20235,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)nn1,KAJLHLWVDMWSTK-UHFFFAOYSA-N,2,1,0.62,59,294,435.369,3.64,5,0.416,0.7,1.0,0.8454526763073127,0.8306147625248441,0.8911657871290521,0.8790692892879172,0.8615756288122814
EOS-2-20236,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)c(F)c1,DRTBTNNHFLYBRH-UHFFFAOYSA-N,2,1,0.494,72,613,435.369,3.64,5,0.416,0.61,1.0,0.6633198547049551,0.7253700911520801,0.7962699609348228,0.7961757247618395,0.7452839078884244
EOS-2-20237,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ncn2)cc1F,ODTMBAFZDPXGIY-UHFFFAOYSA-N,2,1,0.444,44,488,435.369,3.64,5,0.416,0.64,0.959,0.7859896511548214,0.7023079295456103,0.8899749845795353,0.8846977588924679,0.8157425810431087
EOS-2-20238,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)n4)n23)cc1F,DULJLIRDQKHJAH-UHFFFAOYSA-N,2,1,0.588,46,294,435.369,3.64,5,0.389,0.68,1.0,0.8784524707011171,0.8191008155712426,0.8599564800219314,0.8471317935713796,0.8511603899664177
EOS-2-20239,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)c(F)c1F,BAPIIEJDKHXDNG-UHFFFAOYSA-N,2,1,0.494,34,820,435.369,3.64,5,0.389,0.77,1.0,0.7483465835103831,0.8306233294496608,0.8409978754026455,0.8274364334178603,0.8118510554451375
EOS-2-20240,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5F)nn4)n23)cc1F,MCLZIDGYTCZWTQ-UHFFFAOYSA-N,2,1,0.541,34,391,435.369,3.64,5,0.389,0.67,1.0,0.8479370845041464,0.8979850592831198,0.8311973134123775,0.829638133095744,0.8516893975738469
EOS-2-20241,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccc5F)nn4)n23)c(F)c1,WMAZWMVXPUWKSB-UHFFFAOYSA-N,2,1,0.523,34,10,435.369,3.64,5,0.416,0.74,1.0,0.7801127407305873,0.8509869097388801,0.8328678637516277,0.8489222808580632,0.8282224487697896
EOS-2-20242,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccccn5)n4)n23)cc1F,DOYHQDYSQQALAC-UHFFFAOYSA-N,2,1,0.511,59,756,435.369,3.64,5,0.416,0.67,1.0,0.9322184908505243,0.9387464875608251,0.6979045301898431,0.7288054280035638,0.824418734151189
EOS-2-20243,N=c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2F)n[nH]1,BTZKSRXXGRHZMQ-UHFFFAOYSA-N,2,1,0.461,13,145,435.369,3.87,5,0.446,0.73,1.0,0.7774055924885204,0.7611455691864848,0.9193509697758893,0.9089164553491879,0.8417046467000205
EOS-2-20244,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)nc2)cn1,SXDNYVYTOFIYQK-UHFFFAOYSA-N,2,1,0.433,46,469,435.369,3.64,5,0.389,0.64,1.0,0.6633284216297718,0.7347423069015147,0.8628949352340484,0.8453498732095127,0.7765788842437119
EOS-2-20245,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)c(F)c1,CILSKOCTMIPJIN-UHFFFAOYSA-N,2,1,0.418,46,959,435.369,3.64,5,0.389,0.61,1.0,0.6633369885545884,0.7163148516208622,0.820043177301076,0.8135580152148585,0.7533132581728463
EOS-2-20246,Fc1cc(-c2ccnnc2COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)ccn1,KHTMOVROXLZFFX-UHFFFAOYSA-N,2,1,0.529,59,391,435.369,3.64,5,0.389,0.64,1.0,0.805445137413474,0.9071945034610376,0.8700054828318826,0.8689603180042492,0.8629013604276607
EOS-2-20247,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nn5)n34)cn2)c(F)c1,AGNXYVBCBRDWCU-UHFFFAOYSA-N,2,1,0.489,34,799,435.369,3.64,5,0.416,0.73,1.0,0.7658830786101021,0.860401960112398,0.8166421081488588,0.8255174422589268,0.8171111472825714
EOS-2-20248,FC(F)(F)Oc1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,WTDAEJSPEONUMS-UHFFFAOYSA-N,2,1,0.361,96,315,435.369,4.209,5,0.418,0.85,1.0,0.47337399766979643,0.6101363854430814,0.9508087177026935,0.9133112877801385,0.7369075971489275
EOS-2-20249,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(OC(F)F)nc5)n34)cn2)cn1,DZXPJHFNKZGOCR-UHFFFAOYSA-N,2,1,0.341,96,478,435.369,4.051,5,0.385,0.83,1.0,0.6275700774450004,0.807689671715441,0.9118634774861216,0.8818449729285176,0.8072420498937702
EOS-2-20250,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nn4)n23)c1,ODBQCGCTQCFYDC-UHFFFAOYSA-N,2,1,0.494,54,691,435.369,3.64,5,0.416,0.71,0.953,0.6508121444726201,0.7300304982523473,0.827496401891577,0.8471403604961962,0.7638698512781852
EOS-2-20251,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)nn2)cc1,BYLVZGNYBGYLKL-UHFFFAOYSA-N,2,1,0.438,34,691,435.369,3.64,5,0.416,0.75,0.803,0.742264066890549,0.7070797066684943,0.7652748269481187,0.8068672469330409,0.7553714618600507
EOS-2-20252,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)ncc2F)nc1,RXKCCORKSZOSKI-UHFFFAOYSA-N,2,1,0.427,46,915,435.369,3.64,5,0.416,0.6,1.0,0.8264426701391269,0.672554999657323,0.8363289013775616,0.8415718593653622,0.7942246076348434
EOS-2-20253,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncccc5F)n34)ccn2)c(F)n1,OVOZZOMCMIWRRG-UHFFFAOYSA-N,2,1,0.511,24,183,435.369,3.64,5,0.389,0.65,1.0,0.7116373106709616,0.7528784867384004,0.7987458022068399,0.7821688026865876,0.7613576005756975
EOS-2-20254,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccccc5F)n34)ncc2F)nc1,JPSYVLOKAODKDB-UHFFFAOYSA-N,2,1,0.506,73,210,435.369,3.64,5,0.416,0.69,1.0,0.7999708724556234,0.8658933589198822,0.6486275786443698,0.7044582276745939,0.7547375094236173
EOS-2-20255,Fc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5ccc(F)nn5)c4)n23)c1,RTPVXHNDVZIPAW-UHFFFAOYSA-N,2,1,0.477,59,109,435.369,3.64,5,0.416,0.62,1.0,0.7540350215886505,0.7611541361113014,0.8791806593105339,0.8762165033239668,0.8176465800836132
EOS-2-20256,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5ncc(F)cc5F)n4)n23)cc1,JKIAICGSQOHKEW-UHFFFAOYSA-N,2,1,0.536,34,335,435.369,3.64,5,0.416,0.76,1.0,0.9660921115756288,0.9454029881433761,0.7105578781440615,0.75002570077445,0.8430196696593791
EOS-2-20257,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)c2)cn1,PGCAERCGQTUKRI-UHFFFAOYSA-N,2,1,0.43,46,157,435.369,3.64,5,0.389,0.66,1.0,0.5709512713316428,0.6482249331779865,0.862903502158865,0.8489308477828799,0.7327526386128436
EOS-2-20258,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)nn1,IATMZWLUZGMCHZ-UHFFFAOYSA-N,2,1,0.427,54,691,435.369,3.64,5,0.416,0.64,1.0,0.783034062093071,0.6823384277979576,0.8328764306764443,0.8540453018984305,0.7880735556164759
EOS-2-20259,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5F)cnn4)n23)nc1,SBUBIWOHFIYEHP-UHFFFAOYSA-N,2,1,0.489,34,10,435.369,3.64,5,0.416,0.64,1.0,0.6051590021245974,0.6578712905215544,0.8473373997669796,0.8672983345898156,0.7444165067507368
EOS-2-20260,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)c2)nc1,DXZRNLPDDQPKIU-UHFFFAOYSA-N,2,1,0.472,2,469,435.369,3.64,5,0.416,0.64,1.0,0.6724693304091564,0.7611627030361181,0.8629120690836817,0.8524432869577137,0.7872468473716674
EOS-2-20261,Fc1cncc(COc2cncc3nnc(-c4cnnc(-c5ccc(F)c(F)c5)c4)n23)c1,YWBHVGGBXODLGW-UHFFFAOYSA-N,2,1,0.506,59,89,435.369,3.64,5,0.416,0.54,1.0,0.7971180864916729,0.7994911246658899,0.8948495648002193,0.8970598314029196,0.8471296518401754
EOS-2-20262,Fc1cc(F)c(-c2cc(-c3nnc4cncc(OCc5cccnn5)n34)ccc2F)cn1,MLZUEGZYZPHJHT-UHFFFAOYSA-N,2,1,0.506,34,799,435.369,3.64,5,0.389,0.69,1.0,0.7569306421766843,0.8690545541772325,0.8766791172640669,0.8689688849290659,0.8429082996367623
EOS-2-20263,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncccc5F)n34)cc2F)cn1,BLZHSGDITZBESU-UHFFFAOYSA-N,2,1,0.561,73,716,435.369,3.64,5,0.389,0.69,1.0,0.8679579878006991,0.8604105270372148,0.8539681995750805,0.8355921458433281,0.8544822150640806
EOS-2-20264,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)c(F)c1,NPNMXSMKMMXKME-UHFFFAOYSA-N,2,1,0.518,73,526,435.369,3.64,5,0.416,0.63,1.0,0.852486121581797,0.8269395517784935,0.8791892262353506,0.8720529778630662,0.8576669693646768
EOS-2-20265,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)c2)nc1,JFVXEVSBKRPHEJ-UHFFFAOYSA-N,2,1,0.444,46,267,435.369,3.64,5,0.416,0.64,1.0,0.5681498869165924,0.6052789390720307,0.8312058803371941,0.8235813172503598,0.7070540058940442
EOS-2-20266,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4cnc(F)c(F)c4)nc3)n12,XFFQPTWTHUWNBC-UHFFFAOYSA-N,2,1,0.449,55,109,435.369,3.64,5,0.389,0.75,0.886,0.8590483859913646,0.8825217599890344,0.8866595846754849,0.8624494551435816,0.8726697964498664
EOS-2-20267,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)c(F)c1F,HNFXLJIICMYELK-UHFFFAOYSA-N,2,1,0.512,59,577,435.369,3.64,5,0.389,0.72,1.0,0.85013878418203,0.8269481187033103,0.9214070317318895,0.8957233911315194,0.8735543314371873
EOS-2-20268,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)nc5)n4)n23)nc1,YZGCXRJCTXJRMU-UHFFFAOYSA-N,2,1,0.446,46,162,435.369,3.64,5,0.389,0.62,1.0,0.6996693167020767,0.7484322527585497,0.7744671372764033,0.7821773696114043,0.7511865190871085
EOS-2-20269,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(OC(F)F)nc5)n34)ncn2)cc1,VXEXPEBQINPSJW-UHFFFAOYSA-N,2,1,0.347,96,140,435.369,4.051,5,0.411,0.73,0.984,0.5818483996984443,0.8191093824960592,0.9029196079775204,0.8888612843533685,0.7981846686313481
EOS-2-20270,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)nc5)n34)cn2)cn1,ULLVVPUUCCHEDA-UHFFFAOYSA-N,2,1,0.341,96,478,435.369,4.051,5,0.385,0.83,1.0,0.6192173257487492,0.8037403193749572,0.9118720444109383,0.8818535398533343,0.8041708073469946
EOS-2-20271,FC(F)(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnc5)nn4)n23)cc1,IVITXFOSHCCLDD-UHFFFAOYSA-N,2,1,0.494,1,676,435.369,4.454,5,0.412,0.81,1.0,0.8984476732232198,0.8509954766636968,0.9628795147693784,0.9166866561579056,0.9072523302035501
EOS-2-20272,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)ncn2)c1,SIEAPDZJLBEZIJ-UHFFFAOYSA-N,2,1,0.419,44,488,435.369,3.64,5,0.416,0.74,0.783,0.7271691453635802,0.677480981426907,0.8754197793160168,0.8776900143924337,0.7894399801247344
EOS-2-20273,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(F)c5)nc4)n23)nc1,CHESWXXLBAKWOZ-UHFFFAOYSA-N,2,1,0.517,73,390,435.369,3.64,5,0.389,0.69,0.984,0.7361130148721815,0.8659019258446988,0.8473459666917963,0.8235898841751764,0.8182376978959632
EOS-2-20274,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)nc1,YBMZKZWJLUNKPR-UHFFFAOYSA-N,2,1,0.506,59,756,435.369,3.64,5,0.416,0.81,1.0,0.9477588924679597,0.9464909875950929,0.7792646151737372,0.7914467822630389,0.8662403193749572
EOS-2-20275,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(F)ccc5F)n34)cc2)nn1,ZQHTUEXRFBFWMC-UHFFFAOYSA-N,2,1,0.488,43,613,435.369,3.64,5,0.389,0.64,1.0,0.895140840243986,0.8879788910972517,0.8008275649372901,0.7892879172092385,0.8433088033719416
EOS-2-20276,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccc(F)nc5)n4)n23)cc1,XIFCTFVPYWCWLC-UHFFFAOYSA-N,2,1,0.561,34,210,435.369,3.64,5,0.389,0.74,1.0,0.9468593653622096,0.9475532862723597,0.7442430265231992,0.768024809814269,0.8516701219930094
EOS-2-20277,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cn1,ZBSRRDLPWCNSSD-UHFFFAOYSA-N,2,1,0.658,59,294,435.369,3.64,5,0.389,0.68,1.0,0.9355253238297581,0.9358851346720581,0.8924251250771024,0.8656449181001987,0.9073701254197792
EOS-2-20278,Fc1cncc(COc2cncc3nnc(-c4cc(F)c(F)c(-c5cncnc5)c4)n23)c1,AMFZFYLGEOTHLB-UHFFFAOYSA-N,2,1,0.5,2,817,435.369,3.64,5,0.416,0.65,1.0,0.9179973956548557,0.8443304091563293,0.9233260228908231,0.9077684874237544,0.8983555787814406
EOS-2-20279,FC(F)(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cncnc5)nc4)n23)cc1,UEUNNGJVACAYTM-UHFFFAOYSA-N,2,1,0.556,27,676,435.369,4.454,5,0.412,0.74,1.0,0.9412308957576588,0.9093105338907546,0.9760040435885134,0.9381810705229251,0.941181635939963
EOS-2-20280,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,HXJNSQNQUWMONZ-UHFFFAOYSA-N,2,1,0.58,59,294,435.369,3.64,5,0.389,0.62,1.0,0.7830426290178878,0.7484408196833665,0.8994328695771366,0.8970683983277363,0.8319961791515318
EOS-2-20281,Fc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1cnccn1,XUAJNGQUZRIUGZ-UHFFFAOYSA-N,2,1,0.512,73,540,435.369,3.64,5,0.416,0.64,1.0,0.9517853471317935,0.882530326913851,0.9018401754506202,0.8847063258172846,0.9052155438283873
EOS-2-20282,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,BSKZEYFMILPFML-UHFFFAOYSA-N,2,1,0.487,96,121,435.369,4.051,5,0.411,0.81,1.0,0.6360170653142349,0.8571465286820643,0.9448461380302926,0.9365190871084915,0.8436322047837709
EOS-2-20283,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)cc1F,LREYSVHYLNAEHP-UHFFFAOYSA-N,2,1,0.573,59,294,435.369,3.64,5,0.389,0.72,1.0,0.9063378109793708,0.8153827702008087,0.8960146665752862,0.8832670824480844,0.8752505825508875
EOS-2-20284,Fc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1cncnc1,XPYQZVWOQPSVHC-UHFFFAOYSA-N,2,1,0.512,73,817,435.369,3.64,5,0.416,0.66,1.0,0.9423188952093756,0.8774415735727503,0.9241398807484066,0.9101329586731547,0.9135083270509218
EOS-2-20285,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)nn1,HZNKOEPNPAXFSY-UHFFFAOYSA-N,2,1,0.429,59,910,435.369,3.64,5,0.416,0.65,0.973,0.6756048248920568,0.6482335001028031,0.8554331437187307,0.8489394147076965,0.7570527208553217
EOS-2-20286,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nn5)n4)n23)c(F)c1,ILVJYGLROHXESK-UHFFFAOYSA-N,2,1,0.517,34,268,435.369,3.64,5,0.416,0.64,1.0,0.7512507710232335,0.8718473716674663,0.7698752655746693,0.7821859365362209,0.7937898362003974
EOS-2-20287,Fc1ccc(-c2nnc3cncc(OCc4nncc(-c5ccccc5F)n4)n23)cc1F,YHEARPIJEGGPHR-UHFFFAOYSA-N,2,1,0.536,34,612,435.369,3.64,5,0.416,0.62,1.0,0.9208758823932561,0.9464995545199095,0.7898190665478719,0.8395843328078952,0.8741947090672333
EOS-2-20288,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)cn5)n34)ncc2F)cc1,FMIVRDWJONZODU-UHFFFAOYSA-N,2,1,0.432,34,210,435.369,3.64,5,0.416,0.68,1.0,0.7687615653485025,0.8037488862997738,0.6870759372215749,0.739762524844082,0.7498372284284833
EOS-2-20289,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cn2)c1,QTGQGABNASBYFA-UHFFFAOYSA-N,2,1,0.483,73,526,435.369,3.64,5,0.416,0.66,1.0,0.7658916455349187,0.8443389760811459,0.8181841546158591,0.8176273045027757,0.8115105201836749
EOS-2-20290,FC(F)(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cn1,QLAJVPOMMHCNJQ-UHFFFAOYSA-N,2,1,0.329,96,478,435.369,4.209,5,0.418,0.81,1.0,0.5623072441916249,0.6482420670276198,0.9664347885682956,0.9329638133095743,0.7774869782742786
EOS-2-20291,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)c(F)c1,IFYLADZIBRSGGZ-UHFFFAOYSA-N,2,1,0.512,59,109,435.369,3.64,5,0.389,0.71,1.0,0.8744859845109999,0.9072030703858543,0.8831385785758344,0.8607360701802481,0.8813909259132342
EOS-2-20292,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)nn1,DMENALYAZFZCIY-UHFFFAOYSA-N,2,1,0.529,34,268,435.369,3.64,5,0.416,0.64,1.0,0.8237697895963265,0.8957919265300528,0.8027037214721403,0.8005191556438901,0.8306961483106025
EOS-2-20293,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(F)c(F)c5)nn4)n23)cc1,SRTQCTCEAOYOOP-UHFFFAOYSA-N,2,1,0.635,34,929,435.369,3.64,5,0.416,0.73,1.0,0.9063463779041875,0.9550150777876774,0.804699814954424,0.8415804262901789,0.8769104242341168
EOS-2-20294,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cn2)cn1,GXMMWRGYCCWTKK-UHFFFAOYSA-N,2,1,0.472,59,469,435.369,3.64,5,0.389,0.65,1.0,0.7540435885134672,0.857155095606881,0.8642656432047152,0.8415889932149956,0.8292633301350147
EOS-2-20295,Fc1cccc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)n2)c1,WJYOZEVHYQPMSK-UHFFFAOYSA-N,2,1,0.517,34,146,435.369,3.64,5,0.416,0.79,1.0,0.8237783565211432,0.9189054896854225,0.7627989856761017,0.827445000342677,0.8332319580563361
EOS-2-20296,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)cn1,BCBUYGQSBZMHRF-UHFFFAOYSA-N,2,1,0.512,59,756,435.369,3.64,5,0.389,0.73,1.0,0.9384980467411418,0.9465081214447262,0.8220906723322596,0.8157425810431088,0.8807098553903092
EOS-2-20297,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cn1,OMDOCZGTZDFNFH-UHFFFAOYSA-N,2,1,0.527,96,121,435.369,4.051,5,0.385,0.78,1.0,0.5818569666232609,0.8231272702350764,0.9136796655472551,0.897076965252553,0.8039352169145364
EOS-2-20298,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccn2)nc1,XNGXSTRJNYMYSA-UHFFFAOYSA-N,2,1,0.518,73,665,435.369,3.64,5,0.416,0.65,1.0,0.9220324172435063,0.837476869302995,0.8220992392570763,0.8135665821396751,0.8487937769858132
EOS-2-20299,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nc2)cn1,LKUQKGGXJHZABD-UHFFFAOYSA-N,2,1,0.55,59,756,435.369,3.64,5,0.389,0.75,1.0,0.9423274621341923,0.9497464190254267,0.8583201973819478,0.8489479816325132,0.89983551504352
EOS-2-20300,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c(F)c1F,UGZSHYAGRJUXNF-UHFFFAOYSA-N,2,1,0.455,54,691,435.369,3.64,5,0.389,0.76,0.998,0.8054537043382908,0.7440888218764992,0.8657905558220821,0.8556473168391474,0.8177450997190048
EOS-2-20301,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(OC(F)F)cn5)n34)cn2)cc1,IZJPOFZMGQCDJQ-UHFFFAOYSA-N,2,1,0.393,96,856,435.369,4.051,5,0.411,0.82,1.0,0.6107532040298814,0.8191179494208759,0.8727211979987664,0.8748457953533,0.7943595367007059
EOS-2-20302,Cc1c(-c2cncc3nnc(-c4cc(Cl)ccc4Cl)n23)c(-c2ccccc2)nn1C,XUZLDPANQXOHNE-UHFFFAOYSA-N,2,1,0.373,45,46,435.318,5.474,5,0.377,0.77,1.0,0.07765917346309369,0.31201596874785825,0.665230278939072,0.8112106778150915,0.4665290247412789
EOS-2-20303,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5cncc(Br)c5)n34)cc2)cn1,BXTGDFOGOFFUQE-UHFFFAOYSA-N,2,1,0.375,96,478,464.714,4.726,5,0.384,0.8,1.0,0.28655506819272153,0.3937872661229525,0.7515677472414503,0.8090603796861079,0.5602426153108081
EOS-2-20304,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnnn3C(F)(F)C(F)(F)F)n12,MUXZEIIFNSJWLT-UHFFFAOYSA-N,2,1,0.518,68,255,464.717,3.261,4,0.418,0.54,1.0,0.5623158111164417,0.7914639161126722,0.9721060927969296,0.9582191076691111,0.8210262319237887
EOS-2-20305,Cc1cc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)nn4)n23)ccc1Cl,DJIZYMPUNJPBRK-UHFFFAOYSA-N,2,1,0.451,22,311,435.278,4.321,5,0.417,0.8,1.0,0.2597320265917346,0.5107343567952848,0.5249468850661366,0.7474556233294497,0.5107172229456515
EOS-2-20306,Cc1cc(-c2nnc3cncc(-c4cnnc(-c5ccc(Cl)nc5)n4)n23)ccc1Cl,NYVDHNUMEZOUGU-UHFFFAOYSA-N,2,1,0.346,22,844,435.278,4.321,5,0.39,0.85,1.0,0.2782365841957371,0.45729387978891095,0.639752244534302,0.7680333767390858,0.5358290213145089
EOS-2-20307,Cc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)nn1,SOCCFHLHKHMCNG-UHFFFAOYSA-N,2,1,0.375,22,844,435.278,4.321,5,0.417,0.74,1.0,0.3205743266397094,0.5021074635049003,0.6038568295524639,0.7235539030909465,0.537523130697005
EOS-2-20308,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5ccncc5)ccn4)n23)c1,NWWKXUHMOCSAIQ-UHFFFAOYSA-N,2,1,0.435,13,110,435.274,5.347,5,0.379,0.81,1.0,0.5517870605167569,0.6336954286889178,0.8831471455006511,0.9222123226646562,0.7477104893427455
EOS-2-20309,Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cc(Cl)nc(Cl)c5)nc4)n23)cc1,ZTUBVJJIMXPSTK-UHFFFAOYSA-N,2,1,0.342,96,558,435.274,4.928,5,0.405,0.72,1.0,0.3795918717017339,0.44420361866904257,0.8686090740867658,0.9009577821945035,0.6483405866630114
EOS-2-20310,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,NLDWDMZAVNRRPT-UHFFFAOYSA-N,2,1,0.43,13,110,435.274,5.347,5,0.379,0.78,1.0,0.6164673428825989,0.730039065177164,0.8741261736686999,0.9166952230827222,0.7843319512027963
EOS-2-20311,Clc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cc1,YOMXTDFLKAGFOO-UHFFFAOYSA-N,2,1,0.59,57,613,435.274,5.347,5,0.379,0.85,1.0,0.6756133918168734,0.7658316770612021,0.8539767664998972,0.9056524569940374,0.8002685730930026
EOS-2-20312,Clc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1,AMIYBSUQECVFGF-UHFFFAOYSA-N,2,1,0.635,57,15,435.274,5.347,5,0.379,0.84,1.0,0.8211654444520595,0.8604190939620314,0.8642742101295319,0.9089250222740045,0.8636959427044069
EOS-2-20313,Clc1ccc(-c2nnc3cncc(Oc4ccnc(-c5cncc(Cl)c5)c4)n23)cc1,IRUYJQAHVXFSTH-UHFFFAOYSA-N,2,1,0.531,13,15,435.274,5.347,5,0.379,0.79,1.0,0.8408693715303954,0.9454115550681927,0.8842437118771845,0.9230947159207731,0.8984048385991364
EOS-2-20314,Clc1ccc(-c2nnc3cncc(Oc4cnc(Cl)c(-c5ccccc5)n4)n23)cc1,PYEXXORVTBGBHZ-UHFFFAOYSA-N,2,1,0.507,57,417,435.274,5.347,5,0.379,0.82,1.0,0.9194709067233225,0.9568398327736276,0.7580529093276678,0.8506270988965801,0.8712476869302994
EOS-2-20315,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)nc5)nc4)n23)cc1,JGUHUDQBEUXYEC-UHFFFAOYSA-N,2,1,0.519,13,284,435.274,5.347,5,0.355,0.82,1.0,0.8184754300596258,0.9387550544856418,0.8831557124254678,0.9156243574806388,0.8890026386128435
EOS-2-20316,Clc1ccc(Oc2ncncc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,DWRLCURHFAERMY-UHFFFAOYSA-N,2,1,0.458,45,533,435.274,5.347,5,0.379,0.83,1.0,0.5362723596737715,0.8037574532245905,0.8700140497566994,0.9199249537386059,0.7824922040984168
EOS-2-20317,Clc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)nc4Cl)n23)nc1,VPAKBCMSMIFKRI-UHFFFAOYSA-N,2,1,0.382,57,417,435.274,5.347,5,0.355,0.74,1.0,0.6845829620999246,0.7951648276334727,0.7605201836748681,0.8415975601398122,0.7704663833870193
EOS-2-20318,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(Br)cc5)n34)cn2)c1,SLGIPDAPYUPBSY-UHFFFAOYSA-N,2,1,0.423,45,46,435.26,4.546,5,0.418,0.82,1.0,0.0534661777808238,0.39379583304776916,0.8583287643067644,0.8996984442464533,0.5513223048454526
EOS-2-20319,CCOc1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)cc1Cl,DHJUNLLLFUTGMI-UHFFFAOYSA-N,2,1,0.494,90,555,435.246,4.005,4,0.423,0.75,1.0,0.7599119320128846,0.8745973545336166,0.7213093687889796,0.7183366458775958,0.7685388253032691
EOS-2-20320,FC(F)n1nc(-c2nnnn2C(F)F)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,NPDLOTRFHRTDIL-UHFFFAOYSA-N,2,1,0.395,22,542,464.774,3.752,5,0.365,0.65,0.355,0.2810037009115208,0.5338222191762045,0.6127749982866151,0.7044667945994106,0.5330169282434378
EOS-2-20321,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1F,PVKPGYAJGCINNF-UHFFFAOYSA-N,2,1,0.773,23,17,435.203,4.55,4,0.442,0.75,1.0,0.9924782400109656,0.9887687615653485,0.9864385580152149,0.9872181481735316,0.9887259269412652
EOS-2-20322,Cn1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4F)n23)cc1-c1ccc(C#N)nc1,SNAUGSCNIGBTMV-UHFFFAOYSA-N,2,1,0.392,95,956,464.823,4.182,5,0.367,0.65,1.0,0.4217154410252896,0.5338307861010212,0.8805685011308341,0.8776985813172503,0.6784533273935988
EOS-2-20323,Cc1ccc(-c2ncoc2COc2cncc3nnc(-c4ccc(Cl)c([N+](=O)[O-])c4)n23)nn1,BPISFWMBNRETRB-UHFFFAOYSA-N,2,1,0.463,4,483,464.829,3.685,5,0.269,0.58,1.0,0.7116458775957782,0.5663165650058255,0.18657905558220822,0.1147282571448153,0.39481743883215686
EOS-2-20324,COc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1OC(F)(F)F,FLCBTVIBVCMNJX-UHFFFAOYSA-N,2,1,0.73,48,40,464.831,4.973,4,0.384,0.78,1.0,0.9981324103899664,0.9968902062915496,0.9890257693098485,0.9687735590432458,0.9882054862586527
EOS-2-20325,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)c([N+](=O)[O-])c4)n23)n1,UUZDLZMCUGSNGW-UHFFFAOYSA-N,2,1,0.469,36,728,464.833,2.517,5,0.27,0.68,1.0,0.5180933452128024,0.5293074497978206,0.07429237201014324,0.049833801658556644,0.2928817421698307
EOS-2-20326,Cn1c([N+](=O)[O-])cnc1COc1cncc2nnc(-c3ccc(-c4cnc(Cl)nc4)nc3)n12,GOXWZZAJTLUHMF-UHFFFAOYSA-N,2,1,0.389,51,434,464.833,2.517,5,0.208,0.64,0.987,0.5236704132684532,0.3938043999725858,0.05231820985539031,0.023447673223219792,0.2483101740799123
EOS-2-20327,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ncc([N+](=O)[O-])cc5Cl)n34)nc2)nn1,GQQJSQWKTONUQK-UHFFFAOYSA-N,2,1,0.423,92,128,464.833,2.517,5,0.27,0.6,1.0,0.3182612569392091,0.24538242752381606,0.10249468850661367,0.053594681653073815,0.17993326365567816
EOS-2-20328,COc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2O)cn1,CFBQSYHCEWOKGK-UHFFFAOYSA-N,2,1,0.494,13,145,464.844,4.547,5,0.403,0.64,1.0,0.8433109451031457,0.7914724830374888,0.8255260091837434,0.765651771640052,0.8064903022411075
EOS-2-20329,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncccc1F,MJZWJLPAQJZJSE-UHFFFAOYSA-N,2,1,0.389,51,196,464.848,3.418,5,0.373,0.55,0.989,0.660098690973888,0.6052875059968473,0.29742649578507296,0.29759783428140635,0.4651026317593036
EOS-2-20330,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)cc1=O,SIYMPLBGFZPNMS-UHFFFAOYSA-N,2,1,0.429,73,196,464.848,2.714,5,0.39,0.64,1.0,0.5207319580563361,0.5570557192790077,0.4375042834624083,0.4718747858268796,0.4967916866561579
EOS-2-20331,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c(F)c2)cc1=O,QABXQGQXOORFBU-UHFFFAOYSA-N,2,1,0.406,16,605,464.848,2.714,5,0.365,0.63,1.0,0.4881262422040984,0.5478719758755397,0.4412994311561922,0.47188335275169624,0.4872952504968816
EOS-2-20332,COc1ncncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)nc1F,VSRZBPSMJXHONT-UHFFFAOYSA-N,2,1,0.402,46,959,464.848,3.418,5,0.349,0.59,0.998,0.8132410389966418,0.6429648413405524,0.5520697690357069,0.4748218079638133,0.6207743643341785
EOS-2-20333,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)ccn2)cn1,NIYKJEVINFXWKD-UHFFFAOYSA-N,2,1,0.467,51,441,464.848,2.902,5,0.403,0.67,1.0,0.687589952710575,0.6725635665821397,0.5249554519909533,0.5227109176889864,0.6019549722431636
EOS-2-20334,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5ncc(F)cn5)n4)n23)ccc1Cl,QWXXTHDQVRHPOF-UHFFFAOYSA-N,2,1,0.511,73,82,464.848,3.418,5,0.373,0.69,1.0,0.8998954835172367,0.9093191008155712,0.4152645466383387,0.40521554382838737,0.6574236686998834
EOS-2-20335,O=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)n[nH]1,VWUJLYCZUZQRAI-UHFFFAOYSA-N,2,1,0.556,47,669,464.848,2.746,5,0.38,0.58,1.0,0.8362089644301282,0.7784678911657871,0.507864436981701,0.5494311561921733,0.6679931121924474
EOS-2-20336,COc1ncc(-c2nc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccc2F)cn1,SFYKYEYDALINSZ-UHFFFAOYSA-N,2,1,0.4,46,565,464.848,3.418,5,0.349,0.7,1.0,0.7716229182372696,0.6287180453704339,0.4697073538482626,0.4245939277636899,0.5736605613049139
EOS-2-20337,OCc1c(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc(F)c1-c1ccnnc1,LLMUFNSUWHONRI-UHFFFAOYSA-N,2,1,0.419,16,94,464.848,2.902,5,0.403,0.57,1.0,0.6601072578987047,0.7023164964704269,0.6218388047426496,0.6385700089096018,0.6557081420053459
EOS-2-20338,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)nc2)ncc1=O,SMYXKJPWBMFTJZ-UHFFFAOYSA-N,2,1,0.411,46,128,464.848,2.714,5,0.39,0.68,1.0,0.4541926530052772,0.4705126447810294,0.5040264546638339,0.5028699198135838,0.48290041806593104
EOS-2-20339,COc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,LZFWWWKCWIKFRF-UHFFFAOYSA-N,2,1,0.422,51,196,464.848,3.418,5,0.349,0.65,1.0,0.6816102391885409,0.6873672126653416,0.3828558700568844,0.3514752244534302,0.5258271365910493
EOS-2-20340,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cncc(F)n1,GEYDNMNOIPALJZ-UHFFFAOYSA-N,2,1,0.396,46,62,464.848,3.418,5,0.373,0.63,1.0,0.780121307655404,0.6429734082653691,0.462528270851895,0.42790932766774037,0.5783830786101021
EOS-2-20341,O=c1[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)ncc1F,DTFLKNOUTACYDA-UHFFFAOYSA-N,2,1,0.47,87,304,464.848,2.746,5,0.407,0.63,0.875,0.5878452470701118,0.5812572818860942,0.39018059077513534,0.45945274484271126,0.5046839661435132
EOS-2-20342,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c(F)c2)cc1=O,DILCEDGBZGQKLJ-UHFFFAOYSA-N,2,1,0.421,16,605,464.848,2.714,5,0.39,0.64,1.0,0.45865602083476115,0.5570642862038243,0.48704680967719827,0.5129531903228017,0.5039300767596464
EOS-2-20343,O=c1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)c2)n[nH]1,ZNVQFEPVLSGYBG-UHFFFAOYSA-N,2,1,0.447,87,35,464.848,2.746,5,0.38,0.61,0.986,0.6302686587622507,0.5338393530258378,0.5316290864231376,0.5657597148927421,0.5653742032759921
EOS-2-20344,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)cc1=O,XVOZEOSTOASRRX-UHFFFAOYSA-N,2,1,0.452,72,208,464.848,2.714,5,0.39,0.64,1.0,0.5080700431773011,0.605296072921664,0.4833887327804811,0.5129617572476184,0.5274291515317662
EOS-2-20345,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2F)cc1=O,JZAITYIARBTWOG-UHFFFAOYSA-N,2,1,0.392,46,62,464.848,2.714,5,0.365,0.63,1.0,0.5414210814885888,0.4356452607771914,0.4935576725378658,0.512970324172435,0.49589858474402027
EOS-2-20346,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ncc(F)cn1,YWEXTDZCOPBERV-UHFFFAOYSA-N,2,1,0.409,46,896,464.848,3.418,5,0.349,0.71,1.0,0.8264512370639435,0.6774895483517237,0.40114625454047015,0.3644883832499486,0.5673938558015215
EOS-2-20347,Cn1cncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c(F)c2)c1=O,ZZSPIMAAYOKQJK-UHFFFAOYSA-N,2,1,0.427,73,815,464.848,2.714,5,0.39,0.64,1.0,0.5414296484134056,0.5618103625522582,0.48339729970529777,0.5060825166198342,0.5231799568226989
EOS-2-20348,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccc2F)cc1=O,PYDBBENCHFUIST-UHFFFAOYSA-N,2,1,0.462,4,208,464.848,2.714,5,0.39,0.68,1.0,0.5311493386334042,0.6383644027140017,0.5005397162634501,0.5332311013638544,0.5508211397436776
EOS-2-20349,COc1cc(F)ccc1-c1nnc2cncc(OCc3cncc(-c4cnc(Cl)nc4)n3)n12,WOHVXNLIXGITRJ-UHFFFAOYSA-N,2,1,0.43,7,434,464.848,3.418,5,0.349,0.73,1.0,0.7830511959427044,0.7994996915907066,0.5555736412857241,0.4928894524021657,0.6577534953053252
EOS-2-20350,COc1cc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nn5)cn4)n23)ccc1Cl,XESINJNMWDJGDY-UHFFFAOYSA-N,2,1,0.467,16,946,464.848,3.418,5,0.373,0.63,1.0,0.8679665547255158,0.9050527722568706,0.5520783359605236,0.5060910835446508,0.7077971866218902
EOS-2-20351,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cn2)n[nH]1,QCCOXVUKPGNVPK-UHFFFAOYSA-N,2,1,0.475,58,954,464.848,2.746,5,0.38,0.57,0.699,0.7212065656911795,0.667706120211089,0.44130799808100885,0.46555239531217874,0.573943269823864
EOS-2-20352,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncc(F)cn1,ZGIGSGQRMNPGSB-UHFFFAOYSA-N,2,1,0.479,4,224,464.848,3.418,5,0.373,0.63,1.0,0.8336131862106778,0.7394883832499486,0.46603214310191216,0.41501610581865533,0.6135374545952985
EOS-2-20353,Fc1ccc(CCOc2cncc3nnc(-c4cnccc4Oc4ncccn4)n23)nc1Cl,MMXNTWPSNMAFCP-UHFFFAOYSA-N,2,1,0.469,87,307,464.848,3.578,5,0.333,0.57,1.0,0.7391028716331985,0.5959838256459461,0.437512850387225,0.405224110753204,0.5444559146048934
EOS-2-20354,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccc2F)cc1=O,BKERATWRABJTFZ-UHFFFAOYSA-N,2,1,0.447,16,605,464.848,2.714,5,0.39,0.69,1.0,0.5030241244602838,0.5663251319306422,0.52496401891577,0.5394335549311219,0.5334367075594545
EOS-2-20355,COc1ncc(-c2cncc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)n2)cn1,ACMXHVHWTJSEIH-UHFFFAOYSA-N,2,1,0.444,73,877,464.848,3.418,5,0.373,0.68,1.0,0.6478651223356864,0.6823469947227743,0.4483414433554931,0.43092488520320743,0.5523696114042903
EOS-2-20356,O=c1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)n[nH]1,URULKNQYPFHQRY-UHFFFAOYSA-N,2,1,0.444,72,482,464.848,2.746,5,0.407,0.57,1.0,0.6164759098074155,0.5865859091220615,0.41145226509492155,0.47483037488863,0.5223361147282571
EOS-2-20357,O=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2F)n[nH]1,LRPNGQOBCNJRHB-UHFFFAOYSA-N,2,1,0.505,37,589,464.848,2.746,5,0.407,0.53,1.0,0.8132496059214585,0.7347508738263313,0.45572613254746075,0.522719484613803,0.6316115242272633
EOS-2-20358,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)ccc1-c1ccc(F)cn1,FULAMPMRVBBCRK-UHFFFAOYSA-N,2,1,0.417,49,501,464.848,3.418,5,0.349,0.64,1.0,0.6508207113974368,0.6383729696388184,0.39018915769995205,0.34492152696867934,0.5060760914262217
EOS-2-20359,OCc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)cc1F,DHHJSVBEZFXYQS-UHFFFAOYSA-N,2,1,0.432,7,94,464.848,2.902,5,0.403,0.63,1.0,0.7242649578507299,0.7440973888013159,0.5215372489891029,0.5227280515386197,0.6281569117949422
EOS-2-20360,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2F)n[nH]1,RLDSDZKXIGEBPV-UHFFFAOYSA-N,2,1,0.469,20,279,464.848,2.746,5,0.407,0.62,1.0,0.727177712288397,0.6287266122952505,0.4589644301281612,0.5163114248509355,0.582795044890686
EOS-2-20361,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cn2)cc1=O,UDCZQUBRLKABBS-UHFFFAOYSA-N,2,1,0.436,55,600,464.848,2.714,5,0.365,0.64,0.999,0.5595401274758413,0.49762696182578303,0.5386282639983552,0.5259320814200534,0.5304318586800082
EOS-2-20362,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ncccc1F,PTZXINAUBDVCAE-UHFFFAOYSA-N,2,1,0.406,49,94,464.848,3.418,5,0.373,0.63,1.0,0.605167569049414,0.5812658488109108,0.34496436159276267,0.33857343567952847,0.467492803783154
EOS-2-20363,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ccc(F)cn1,CGEZOCUHQRZRFB-UHFFFAOYSA-N,2,1,0.378,49,94,464.848,3.418,5,0.373,0.6,1.0,0.6633455554794051,0.610144952367898,0.38286443698170103,0.36449695017476524,0.5052129737509423
EOS-2-20364,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)n5)n34)nc2)cn1,BPBRGDNWOZKACF-UHFFFAOYSA-N,2,1,0.415,46,119,464.848,3.418,5,0.349,0.71,1.0,0.627578644369817,0.6101535192927147,0.5040350215886505,0.43093345212802414,0.5431751593448015
EOS-2-20365,Cc1ncncc1-c1cnnc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)c1,QMZABRKGVOQKJR-UHFFFAOYSA-N,2,1,0.356,31,466,464.852,2.551,5,0.345,0.57,0.988,0.5965749434582962,0.5708056336097594,0.16410801178808854,0.20312178740319375,0.38365259406483443
EOS-2-20366,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1-c1ccc(F)cc1,GFNIMHPMXKECTB-UHFFFAOYSA-N,2,1,0.55,83,163,464.859,6.191,5,0.31,0.77,1.0,0.9443663902405592,0.9454201219930094,0.9797906243574807,0.9791652388458639,0.9621855938592283
EOS-2-20367,Oc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ccc1-c1ccc(Cl)cc1,BHMNGVYRXJISQX-UHFFFAOYSA-N,2,1,0.64,57,23,464.859,5.675,5,0.362,0.73,1.0,0.9823521348776643,0.9768093345212803,0.9791481049962305,0.9835172366527312,0.9804567027619766
EOS-2-20368,Fc1ccc(-c2nnc3cncc(OCc4ccc(Oc5cccc(Cl)c5)cc4)n23)c(F)c1,HYJJOEPLNUAJFM-UHFFFAOYSA-N,2,1,0.573,57,590,464.859,6.094,5,0.304,0.79,1.0,0.9814697416215475,0.9841940237132479,0.9768007675964636,0.9811613323281475,0.9809064663148517
EOS-2-20369,COc1cc(-c2nnc3cncc(Oc4ccccc4F)n23)ccc1-c1ccc(F)cc1Cl,AKPSFWSSHXTDIN-UHFFFAOYSA-N,2,1,0.506,57,163,464.859,6.191,5,0.31,0.8,1.0,0.9468679322870263,0.9465166883695428,0.9780429716948804,0.9765009252278802,0.9619821293948324
EOS-2-20370,Fc1cc(Oc2ccccc2)c(F)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,WINQKEIAKQCVHR-UHFFFAOYSA-N,2,1,0.612,79,590,464.859,6.094,5,0.304,0.77,1.0,0.9886659584675485,0.9931207593722158,0.9765780275512302,0.9788568295524639,0.9843053937358646
EOS-2-20371,FC(F)Oc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1,MQQNYDDJFLRCKQ-UHFFFAOYSA-N,2,1,0.859,83,528,464.859,6.505,5,0.287,0.86,1.0,0.9412394626824755,0.984579535329998,0.987646494414365,0.989839627167432,0.9758262798985676
EOS-2-20372,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)cc1,CBXTUVGPRFMIIT-UHFFFAOYSA-N,2,1,0.809,57,590,464.859,6.094,5,0.304,0.84,1.0,0.9960934822835995,0.9917671852511822,0.9823521348776643,0.9841683229387979,0.9885952813378109
EOS-2-20373,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(-c5cccc(Cl)c5)cc4)n23)cc1,FYGYMCDXCNZSBG-UHFFFAOYSA-N,2,1,0.8,79,528,464.859,6.505,5,0.287,0.85,1.0,0.9220409841683229,0.9724744705640463,0.9869354396545816,0.9889658008361318,0.9676041738057707
EOS-2-20374,Fc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccc(Cl)c(F)c5)cc4)n23)cc1,UJGRZMMOPPGEMB-UHFFFAOYSA-N,2,1,0.722,57,590,464.859,6.094,5,0.304,0.86,1.0,0.9973356863820163,0.992778082379549,0.982360701802481,0.9843910629840312,0.9892163833870194
EOS-2-20375,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncc2F)cc1,USUGJQUVDNLYKO-UHFFFAOYSA-N,2,1,0.447,11,560,464.863,4.801,5,0.336,0.77,0.998,0.8679751216503324,0.8932561167843192,0.8509183743403468,0.8901463230758687,0.8755739839627168
EOS-2-20376,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cc2)nn1,AIUSBVJOJILBBO-UHFFFAOYSA-N,2,1,0.578,91,613,464.863,4.801,5,0.359,0.71,1.0,0.9830803234870811,0.9890600370091152,0.9050613391816873,0.9156329244054554,0.9482086560208347
EOS-2-20377,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cc1F,OFDGRJJRRAFQNH-UHFFFAOYSA-N,2,1,0.484,11,503,464.863,4.801,5,0.359,0.74,1.0,0.8454612432321293,0.8409379069289288,0.8855544513741347,0.907777054348571,0.869932663970941
EOS-2-20378,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nc2)cn1,JBXAHFOHRAGUAP-UHFFFAOYSA-N,2,1,0.617,84,384,464.863,4.801,5,0.336,0.79,1.0,0.9563857857583442,0.9358937015968748,0.9202590638064561,0.9242169830717566,0.934188883558358
EOS-2-20379,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nc2)c1,XUSAAAMPDFTIHJ-UHFFFAOYSA-N,2,1,0.61,84,360,464.863,4.801,5,0.359,0.83,1.0,0.9503204029881434,0.9311304913988074,0.9184685765197724,0.9281063669385238,0.9320064594613118
EOS-2-20380,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cc(F)cnc5Cl)cc4F)n23)ccn1,SRKBHJMRHZJLLV-UHFFFAOYSA-N,2,1,0.472,59,89,464.863,5.067,5,0.338,0.71,1.0,0.9540470152833939,0.9189140566102392,0.9308991844287574,0.9199335206634227,0.9309484442464533
EOS-2-20381,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)ccn2)cn1,NLVNPOXYBMHVAI-UHFFFAOYSA-N,2,1,0.506,59,577,464.863,5.067,5,0.338,0.76,1.0,0.9208844493180728,0.8979936262079364,0.9340603796861079,0.9209958193406894,0.9184835686382017
EOS-2-20382,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ccn4)n23)n1,VGMIQDOVFAKXFW-UHFFFAOYSA-N,2,1,0.452,11,503,464.863,4.801,5,0.336,0.83,1.0,0.8567524501404976,0.8409464738537454,0.8713933246521829,0.8957319580563361,0.8662060516756905
EOS-2-20383,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ccn4)n23)c1,CWSZESJMINGOCT-UHFFFAOYSA-N,2,1,0.462,11,503,464.863,4.801,5,0.359,0.75,0.998,0.8387276403262285,0.8374854362278117,0.8866681516003015,0.9112809265985882,0.8685405386882324
EOS-2-20384,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)ccc1Cl,SHRXXPWEMUEVFR-UHFFFAOYSA-N,2,1,0.737,88,494,464.863,4.801,5,0.359,0.74,1.0,0.9880491398807484,0.9863957233911316,0.9496436159276266,0.9530532520046604,0.9692854328010417
EOS-2-20385,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)c1,HVJXNBNIQWUKOJ-UHFFFAOYSA-N,2,1,0.578,88,494,464.863,4.801,5,0.359,0.73,1.0,0.97490747721198,0.9819237886368309,0.9436125008566925,0.952445000342677,0.9632221917620452
EOS-2-20386,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)ccc1Cl,ZCVCTTCEWQBYCW-UHFFFAOYSA-N,2,1,0.733,88,222,464.863,4.801,5,0.359,0.71,1.0,0.987595092865465,0.9826091426221644,0.9477845932424097,0.9512370639435268,0.9673064731683915
EOS-2-20387,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)c(F)cn4)n23)nc1,NXJRATVWWLORQT-UHFFFAOYSA-N,2,1,0.462,88,141,464.863,4.801,5,0.359,0.71,0.995,0.8524946885066137,0.8932646837091358,0.8686176410115825,0.9020714824206703,0.8791121239120006
EOS-2-20388,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)c2)cc1F,NXZXIODGPPVYIM-UHFFFAOYSA-N,2,1,0.565,88,80,464.863,4.801,5,0.336,0.73,1.0,0.8784610376259337,0.9415564389006922,0.8442104722088959,0.8847148927421012,0.8872357103694057
EOS-2-20389,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccc2Cl)cc1F,QCDYUHBIWMVDJG-UHFFFAOYSA-N,2,1,0.566,88,222,464.863,4.801,5,0.359,0.76,1.0,0.9767322321979303,0.9864042903159482,0.8791977931601672,0.9066633541224042,0.9372494174491125
EOS-2-20390,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ccc5F)n34)c(F)c2)cn1,CNPXXGMBYHMOAF-UHFFFAOYSA-N,2,1,0.472,57,92,464.863,5.067,5,0.338,0.76,1.0,0.8433195120279624,0.9208416146939894,0.9018487423754369,0.8983962716743198,0.8911015351929271
EOS-2-20391,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)nc1,WILWUIBEOJZBOK-UHFFFAOYSA-N,2,1,0.571,88,429,464.863,4.801,5,0.359,0.69,1.0,0.977126310739497,0.9751987526557467,0.9005808375025701,0.9167037900075389,0.9424024227263382
EOS-2-20392,Fc1cc(-c2cnc(F)c(Cl)c2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,GCXYCHIIBRDEMR-UHFFFAOYSA-N,2,1,0.61,35,439,464.863,4.801,5,0.336,0.71,1.0,0.8679836885751491,0.9171578370228223,0.9267870605167569,0.9281149338633404,0.9100108799945171
EOS-2-20393,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)cc1F,RRYKVGYLVJMLQC-UHFFFAOYSA-N,2,1,0.683,84,884,464.863,4.801,5,0.336,0.77,1.0,0.95032896991296,0.9576708244808444,0.9366218902062915,0.939885888561442,0.9461268932903845
EOS-2-20394,Fc1cc(CCOc2cncc3nnc(-c4ncc(-c5ccccc5F)cn4)n23)ccc1Cl,PCRUCWFDELAAOP-UHFFFAOYSA-N,2,1,0.675,88,222,464.863,4.801,5,0.359,0.81,1.0,0.9272325406072236,0.8852974436296347,0.8792063600849839,0.9112894935234048,0.9007564594613118
EOS-2-20395,Fc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)c1,BWPNKZCTHQWGTC-UHFFFAOYSA-N,2,1,0.679,84,884,464.863,4.801,5,0.359,0.79,1.0,0.9494894112809266,0.9387636214104585,0.9354396545815914,0.9431755876910424,0.9417170687410048
EOS-2-20396,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cn1,XJZOIHZYXUOCNY-UHFFFAOYSA-N,2,1,0.683,84,884,464.863,4.801,5,0.336,0.74,1.0,0.9503375368377767,0.9568483996984443,0.9374271811390583,0.9398944554862586,0.9461268932903845
EOS-2-20397,Fc1cc(Cl)ccc1-c1ccnc(-c2nnc3cncc(OCCc4ncccc4F)n23)c1,WQAXVCLSZUBBIV-UHFFFAOYSA-N,2,1,0.467,11,503,464.863,4.801,5,0.359,0.72,1.0,0.8264598039887602,0.8374940031526283,0.8491621547529299,0.8901548900006854,0.850817712973751
EOS-2-20398,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cc1F,SCPLOAJRJBVAHH-UHFFFAOYSA-N,2,1,0.568,88,141,464.863,4.801,5,0.359,0.72,1.0,0.9423360290590089,0.9597868549105613,0.8888527174285519,0.9056610239188541,0.924159156329244
EOS-2-20399,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nc2)cnc1F,CXJLALILIFEAIE-UHFFFAOYSA-N,2,1,0.588,84,384,464.863,4.801,5,0.336,0.81,1.0,0.8724898910287163,0.9093276677403879,0.902928174902337,0.9145534918785553,0.8998248063874992
EOS-2-20400,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nc1F,CJGUPBWUHAXICG-UHFFFAOYSA-N,2,1,0.639,84,73,464.863,4.801,5,0.336,0.69,1.0,0.8841666095538345,0.9112123912000548,0.9005894044273868,0.912368926050305,0.9020843328078954
EOS-2-20401,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4cncnc4)c(F)c3)n12,OMVDUWQRRQGAAD-UHFFFAOYSA-N,2,1,0.612,88,222,464.863,4.801,5,0.359,0.7,1.0,0.9686107874717291,0.9757556027688301,0.9424131313823589,0.9485299157014598,0.9588273593310944
EOS-2-20402,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)ccn1,GEOLZQLBQNMWML-UHFFFAOYSA-N,2,1,0.563,11,141,464.863,4.801,5,0.336,0.63,1.0,0.9503461037625934,0.9669916386813789,0.9018573093002535,0.9133198547049551,0.9331287266122953
EOS-2-20403,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5F)ccn4)n23)cc1Cl,PECAZFWBYLOTLB-UHFFFAOYSA-N,2,1,0.588,11,503,464.863,4.801,5,0.336,0.76,1.0,0.9259475018847234,0.8746059214584333,0.912728736892605,0.9189483243095059,0.9080576211363169
EOS-2-20404,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)c1,MROCNLIORJVMEJ-UHFFFAOYSA-N,2,1,0.576,84,360,464.863,4.801,5,0.359,0.74,1.0,0.8984562401480365,0.837502570077445,0.9184771434445891,0.9304537043382908,0.8962224145020903
EOS-2-20405,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c(F)cc1Cl,ZLGQLVFNKYDAAV-UHFFFAOYSA-N,2,1,0.583,91,781,464.863,4.801,5,0.336,0.66,1.0,0.9817695839901309,0.9834744020286478,0.927506682201357,0.9293228702624906,0.9555183846206565
EOS-2-20406,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)c1,CMGDARLJPBSTGJ-UHFFFAOYSA-N,2,1,0.473,88,384,464.863,4.801,5,0.336,0.77,1.0,0.8525032554314304,0.8800630525666506,0.9118806113357549,0.9250736755534233,0.8923801487218148
EOS-2-20407,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)nc1,CBTAQTDOJMQHLY-UHFFFAOYSA-N,2,1,0.655,84,360,464.863,4.801,5,0.359,0.74,1.0,0.9494979782057432,0.9372986772668083,0.9202676307312727,0.9281235007881571,0.9337969467479953
EOS-2-20408,Fc1cnccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1F,KBAXDEQDSXMUBF-UHFFFAOYSA-N,2,1,0.602,35,919,464.863,4.801,5,0.336,0.7,1.0,0.9696816530738126,0.9743077924748133,0.9259303680350901,0.9304622712631074,0.9500955212117058
EOS-2-20409,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)c(F)n4)n23)cc1,ALYICSWMWKWSNR-UHFFFAOYSA-N,2,1,0.605,19,384,464.863,4.801,5,0.336,0.76,1.0,0.9434068946610924,0.9415650058255088,0.859965046946748,0.8862312384346515,0.9077920464670002
EOS-2-20410,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)cn1,KHLGFURIBHKJSH-UHFFFAOYSA-N,2,1,0.588,11,384,464.863,4.801,5,0.336,0.74,1.0,0.9109982180796381,0.8825388938386677,0.9202761976560894,0.9261959427044069,0.9100023130697006
EOS-2-20411,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)cc1Cl,FMLOEZQXQIAYTM-UHFFFAOYSA-N,2,1,0.607,19,308,464.863,4.801,5,0.336,0.71,0.998,0.9510742923720101,0.9359022685216914,0.8686262079363991,0.884723459666918,0.9100815571242546
EOS-2-20412,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)nc1,MPVREXKTIOZGNX-UHFFFAOYSA-N,2,1,0.655,84,360,464.863,4.801,5,0.359,0.69,1.0,0.9503546706874101,0.9373072441916249,0.920284764580906,0.9272668083064903,0.9338033719416079
EOS-2-20413,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)c1,PBSVSOIWJPYVLK-UHFFFAOYSA-N,2,1,0.517,84,672,464.863,4.801,5,0.359,0.66,1.0,0.9153073812624221,0.9227434720032897,0.9118891782605716,0.92508224247824,0.9187555685011308
EOS-2-20414,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1F,ZOWUFEVPAXNOAL-UHFFFAOYSA-N,2,1,0.737,91,781,464.863,4.801,5,0.359,0.76,1.0,0.9890343362346652,0.9907305873483654,0.9136882324720719,0.9177660886848057,0.952804811184977
EOS-2-20415,CCOc1cc(-c2ncc(F)cn2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,AXZJHJRADVEHDL-UHFFFAOYSA-N,2,1,0.413,45,46,464.863,5.246,5,0.353,0.7,1.0,0.6192258926735659,0.8231358371598931,0.8855630182989515,0.887507710232335,0.8038581145911864
EOS-2-20416,Cc1cncc(-c2ccc(COc3cncc4nnc(-c5cccc(Cl)c5F)n34)c(F)c2)n1,GXJDNFCBRWYZAN-UHFFFAOYSA-N,2,1,0.5,59,521,464.863,5.067,5,0.361,0.74,1.0,0.9234202590638064,0.9189226235350558,0.9275152491261737,0.9250908094030567,0.9237372352820231
EOS-2-20417,Cc1ccc(F)cc1-c1nnc2cncc(OCc3ccc(-c4cnc(Cl)c(F)c4)cn3)n12,VWUISXJEBOIXPY-UHFFFAOYSA-N,2,1,0.529,59,71,464.863,5.067,5,0.338,0.73,1.0,0.6756219587416901,0.8191265163456926,0.9223836611609897,0.9145620588033719,0.8329235487629361
EOS-2-20418,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)c(F)n4)n23)nc1,NZDWPZHIOPLNHK-UHFFFAOYSA-N,2,1,0.462,11,275,464.863,4.801,5,0.336,0.69,0.997,0.8967085874854362,0.9227520389281064,0.8458296209992461,0.8818621067781509,0.8867880885477348
EOS-2-20419,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cc2)nn1,YYXARDXZSAWDBY-UHFFFAOYSA-N,2,1,0.617,91,613,464.863,4.801,5,0.359,0.71,1.0,0.9828404495922144,0.9866869988348982,0.9061065040093208,0.9145706257281886,0.9475511445411555
EOS-2-20420,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)cc1Cl,VYWWTLQUHWHTPQ-UHFFFAOYSA-N,2,1,0.711,88,876,464.863,4.801,5,0.359,0.75,1.0,0.9833801658556645,0.9852134877664314,0.9050699061065041,0.9101415255979713,0.9459512713316428
EOS-2-20421,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)c1,YBJRNDWEYJOAJZ-UHFFFAOYSA-N,2,1,0.58,84,429,464.863,4.801,5,0.359,0.82,1.0,0.9593242409704612,0.9664176547186621,0.9109039819066548,0.9231032828455897,0.939937290110342
EOS-2-20422,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5F)nc4)n23)c1,HYWJPRXNUWRLCE-UHFFFAOYSA-N,2,1,0.517,11,490,464.863,4.801,5,0.359,0.67,1.0,0.9286717839764238,0.9670002056061956,0.8766876841888835,0.9031680487972038,0.9188819306421767
EOS-2-20423,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(F)n1,WWUHRDCZXSNRGE-UHFFFAOYSA-N,2,1,0.506,11,275,464.863,4.801,5,0.336,0.69,1.0,0.9194794736481393,0.9497549859502433,0.8255345761085601,0.8705451990953328,0.8913285587005688
EOS-2-20424,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nc2)cc1,VRUCLJQNNUGKPA-UHFFFAOYSA-N,2,1,0.506,88,384,464.863,4.801,5,0.336,0.81,1.0,0.9272411075320403,0.9311390583236242,0.8911743540538688,0.9089335891988212,0.9146220272770885
EOS-2-20425,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cc1F,FFZMOWQDIHYQST-UHFFFAOYSA-N,2,1,0.523,11,503,464.863,4.801,5,0.336,0.76,1.0,0.9047186621890206,0.8800716194914674,0.9136967993968885,0.9250993763278733,0.9058966143513124
EOS-2-20426,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)c(F)c1,CNSWYILFRFMUCB-UHFFFAOYSA-N,2,1,0.539,11,384,464.863,4.801,5,0.336,0.71,1.0,0.8933160852580357,0.90014392433692,0.9050784730313207,0.9210043862655062,0.9048857172229456
EOS-2-20427,Fc1ccc(-c2ccncc2-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nc1,ZIDFDRKEAAIEPD-UHFFFAOYSA-N,2,1,0.642,84,360,464.863,4.801,5,0.359,0.7,1.0,0.9486841203481599,0.9328438763621411,0.9109125488314714,0.922220889589473,0.9286653587828113
EOS-2-20428,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ncn5)n34)c2)cc1F,KNYDVWVAXNTUGX-UHFFFAOYSA-N,2,1,0.534,88,80,464.863,4.801,5,0.336,0.77,1.0,0.8951494071688026,0.9311476252484409,0.9005979713522034,0.9167123569323555,0.9109018401754506
EOS-2-20429,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)nc2)cn1,OCHMTINGLVRFLN-UHFFFAOYSA-N,2,1,0.617,84,384,464.863,4.801,5,0.336,0.78,1.0,0.9563943526831609,0.9373158111164417,0.9202933315057227,0.92510794325269,0.9347778596395038
EOS-2-20430,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cn2)cc1,PULLNBCWICEJOC-UHFFFAOYSA-N,2,1,0.56,88,801,464.863,4.801,5,0.336,0.75,1.0,0.9468764992118429,0.9713607703378795,0.894858131725036,0.9089421561236378,0.930509389349599
EOS-2-20431,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cn1,HOYFJHRNIGCWLL-UHFFFAOYSA-N,2,1,0.588,11,384,464.863,4.801,5,0.336,0.75,1.0,0.9125145637721883,0.880080186416284,0.9203018984305393,0.9262045096292235,0.9097752895620588
EOS-2-20432,Fc1ccc(-c2nc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cn1,OWLFLYFCGHIVTH-UHFFFAOYSA-N,2,1,0.578,88,275,464.863,4.801,5,0.336,0.72,1.0,0.9763295867315468,0.990019532588582,0.8509269412651634,0.8804999657323007,0.9244440065793982
EOS-2-20433,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)n1,RGUOODWXYSFEOH-UHFFFAOYSA-N,2,1,0.494,44,146,464.863,5.067,5,0.361,0.77,1.0,0.9093876362141046,0.8825474607634843,0.889983551504352,0.9066719210472209,0.8971476423822905
EOS-2-20434,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nc1F,WYSJIJNLMXMUOB-UHFFFAOYSA-N,2,1,0.484,11,848,464.863,4.801,5,0.336,0.74,1.0,0.9234288259886231,0.9311561921732575,0.842608457268179,0.8607446371050648,0.8894845281337811
EOS-2-20435,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1F,HDBHKZQDOVMPFF-UHFFFAOYSA-N,2,1,0.591,91,613,464.863,4.801,5,0.359,0.72,1.0,0.9564029196079775,0.9685336851483791,0.9006065382770201,0.910150092522788,0.9339233088890412
EOS-2-20436,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)c1,BHOZTWKDGBPURD-UHFFFAOYSA-N,2,1,0.641,88,752,464.863,4.801,5,0.359,0.68,1.0,0.9714036049619629,0.9782828455897471,0.9214155986567062,0.9321413885271743,0.9508108594338975
EOS-2-20437,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)ccc1Cl,XDHYIUCLORCPLX-UHFFFAOYSA-N,2,1,0.747,88,360,464.863,4.801,5,0.359,0.72,1.0,0.987826399835515,0.9842025906380646,0.9332636556781577,0.9381896374477418,0.9608705708998697
EOS-2-20438,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cc1F,UBUCEBKNQNBCHO-UHFFFAOYSA-N,2,1,0.523,11,503,464.863,4.801,5,0.336,0.76,1.0,0.8999040504420533,0.87461448838325,0.9100044548009046,0.9210129531903228,0.9013839867041327
EOS-2-20439,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cc1F,RVKARIDJDUXOQS-UHFFFAOYSA-N,2,1,0.494,88,503,464.863,4.801,5,0.359,0.75,1.0,0.89991261736687,0.8718559385922829,0.9081539990405044,0.9262130765540402,0.9015339078884244
EOS-2-20440,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ccn4)n23)cn1,OAAHRXJFRBBKDQ-UHFFFAOYSA-N,2,1,0.523,11,503,464.863,4.801,5,0.336,0.75,1.0,0.8984648070728531,0.8746230553080666,0.9100130217257213,0.9199420875882394,0.9007607429237201
EOS-2-20441,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cn2)ccn1,IHXPDJBQBYLNBG-UHFFFAOYSA-N,2,1,0.557,11,732,464.863,4.801,5,0.336,0.71,1.0,0.9139623740662052,0.9631707902131451,0.9146562949763553,0.919950654513056,0.9279350284421903
EOS-2-20442,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)ccn1,MAESPMCDDLOJSK-UHFFFAOYSA-N,2,1,0.54,88,749,464.863,4.801,5,0.336,0.73,1.0,0.9247995339592899,0.957679391405661,0.9029367418271538,0.9145791926530052,0.9249987149612775
EOS-2-20443,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)nc3Cl)n12,RQARCLWKTKZPOV-UHFFFAOYSA-N,2,1,0.605,88,749,464.863,4.801,5,0.336,0.72,1.0,0.9093962031389212,0.9428586114728257,0.872729764923583,0.8929134397916524,0.9044745048317456
EOS-2-20444,Cc1cnc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1,TWFBHPNVTUQRMD-UHFFFAOYSA-N,2,1,0.575,34,929,464.863,5.067,5,0.361,0.74,1.0,0.9395346446439586,0.9768179014460969,0.8509355081899801,0.8805085326571174,0.9119491467342883
EOS-2-20445,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)n1,YAXHIZXZTJGNIE-UHFFFAOYSA-N,2,1,0.687,84,360,464.863,4.801,5,0.336,0.76,1.0,0.9710352271948461,0.9752073195805634,0.8935730930025358,0.9009663491193202,0.9351954972243164
EOS-2-20446,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)n1,MTRWKZQAEJSDPW-UHFFFAOYSA-N,2,1,0.641,44,13,464.863,5.067,5,0.361,0.75,1.0,0.9477674593927764,0.9112209581248715,0.8983534370502364,0.9123774929751216,0.9174298368857514
EOS-2-20447,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)c1,JZFNRVYPKNUHKF-UHFFFAOYSA-N,2,1,0.575,88,525,464.863,4.801,5,0.336,0.74,1.0,0.9412480296072921,0.9568569666232609,0.9166352546090055,0.9242255499965732,0.934741450209033
EOS-2-20448,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccn2)cn1,BCNGRSXQIVAVPB-UHFFFAOYSA-N,2,1,0.688,11,360,464.863,4.801,5,0.336,0.74,1.0,0.9671287094784456,0.9576879583304777,0.9250394078541567,0.9262216434788568,0.9440194297854843
EOS-2-20449,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)cn1,BRCFMKUJAFSZKU-UHFFFAOYSA-N,2,1,0.535,11,111,464.863,4.801,5,0.336,0.72,1.0,0.945223082722226,0.9670087725310123,0.887841820300185,0.9020800493454869,0.9255384312247276
EOS-2-20450,Cc1cnc(-c2ccc(F)c(F)c2)c(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,ANBZLWRBCBSAQL-UHFFFAOYSA-N,2,1,0.506,59,89,464.863,5.067,5,0.361,0.72,0.999,0.8336217531354945,0.8571636625316976,0.9081625659653211,0.9145877595778219,0.8783839353025839
EOS-2-20451,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nc1F,HCXUUHHITFYSSH-UHFFFAOYSA-N,2,1,0.562,11,595,464.863,4.801,5,0.336,0.73,1.0,0.9434154615859092,0.9559317387430608,0.8948666986498527,0.8984048385991364,0.9231546843944898
EOS-2-20452,Fc1cc(F)c(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)c(Cl)c1,UUHQSRFITWKFSQ-UHFFFAOYSA-N,2,1,0.6,88,300,464.863,4.801,5,0.359,0.67,1.0,0.94950654513056,0.9387721883352752,0.8766962511137002,0.8847320265917347,0.9124267527928176
EOS-2-20453,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)c1,ZIAMBOYJPPXFPO-UHFFFAOYSA-N,2,1,0.533,84,672,464.863,4.801,5,0.359,0.79,1.0,0.9549037077650606,0.9692447399081625,0.9109211157562881,0.9251165101775067,0.9400465184017546
EOS-2-20454,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cc1F,KCZBFTYYKIEWNY-UHFFFAOYSA-N,2,1,0.607,11,595,464.863,4.801,5,0.336,0.74,1.0,0.9643358919882119,0.9539013775615105,0.920310465355356,0.927275375231307,0.9414557775340964
EOS-2-20455,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)n1,GHSSGYFRPRTBFP-UHFFFAOYSA-N,2,1,0.593,11,595,464.863,4.801,5,0.336,0.74,1.0,0.9783942156123638,0.980013364402714,0.8994414365019533,0.9066804879720376,0.9411323761222672
EOS-2-20456,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)c1F,MFGJFUIIIZMRLG-UHFFFAOYSA-N,2,1,0.545,84,732,464.863,4.801,5,0.336,0.8,1.0,0.9503632376122267,0.9743163593996299,0.9146648619011719,0.9177746556096223,0.9392797786306627
EOS-2-20457,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cnc(Cl)c(F)c3)n12,VQZVBVAJHAINFQ-UHFFFAOYSA-N,2,1,0.547,35,919,464.863,4.801,5,0.336,0.7,1.0,0.9593328078952779,0.9677712288396957,0.910021588650538,0.9189568912343226,0.9390206291549585
EOS-2-20458,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cc1F,ZQMJLNALQNMDNP-UHFFFAOYSA-N,2,1,0.607,11,429,464.863,4.801,5,0.336,0.74,1.0,0.9671372764032623,0.9559403056678775,0.9166438215338222,0.9222294565142897,0.9404877150298129
EOS-2-20459,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)cc1F,NWXRNQUMTKVULM-UHFFFAOYSA-N,2,1,0.576,88,429,464.863,4.801,5,0.359,0.73,1.0,0.9732626276471797,0.955023644712494,0.9146734288259887,0.9272839421561236,0.9425609108354465
EOS-2-20460,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5F)c4)n23)cn1,QBOSXIYLNVKDSV-UHFFFAOYSA-N,2,1,0.602,11,595,464.863,4.801,5,0.336,0.74,1.0,0.9557346994722774,0.9670173394558289,0.9072030703858543,0.9156414913302721,0.9363991501610581
EOS-2-20461,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccc2F)cn1,YRMWMDXCOXIKCY-UHFFFAOYSA-N,2,1,0.688,59,13,464.863,5.067,5,0.361,0.74,1.0,0.9737252415872798,0.9622541292577617,0.9381125351243917,0.9338376396408745,0.9519823864025769
EOS-2-20462,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cc1Cl,VSPWKCPPLPHHOH-UHFFFAOYSA-N,2,1,0.562,88,161,464.863,4.801,5,0.359,0.82,1.0,0.9517939140566103,0.9638561441984785,0.9203190322801728,0.9281320677129737,0.9410252895620588
EOS-2-20463,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)ccc1Cl,TWTMRQLGEMJXEQ-UHFFFAOYSA-N,2,1,0.562,88,161,464.863,4.801,5,0.359,0.81,1.0,0.9540555822082105,0.9685422520731958,0.9203275992049894,0.9281406346377904,0.9427665170310465
EOS-2-20464,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)nn1,LJMZKVXYPOWFRH-UHFFFAOYSA-N,2,1,0.731,91,613,464.863,4.801,5,0.359,0.73,1.0,0.964875608251662,0.972483037488863,0.9090363922966213,0.9156500582550887,0.9405112740730587
EOS-2-20465,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)nn1,IYARLLGDVKDGTF-UHFFFAOYSA-N,2,1,0.731,91,613,464.863,4.801,5,0.359,0.71,1.0,0.9655095606880953,0.9719861558494962,0.9090449592214379,0.9156586251799054,0.9405498252347337
EOS-2-20466,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cc1F,RGMHOHMWHJDTMH-UHFFFAOYSA-N,2,1,0.576,84,884,464.863,4.801,5,0.336,0.74,1.0,0.927249674456857,0.9475618531971763,0.9285775478034405,0.9356623946268248,0.9347628675210746
EOS-2-20467,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cc1F,METQBNIGSKHCKG-UHFFFAOYSA-N,2,1,0.731,91,613,464.863,4.801,5,0.359,0.75,1.0,0.9655181276129121,0.9713693372626961,0.9081711328901377,0.9145963265026387,0.9399137310670962
EOS-2-20468,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2)cc1F,SVAZHIOJCFKHDD-UHFFFAOYSA-N,2,1,0.554,88,80,464.863,4.801,5,0.359,0.69,1.0,0.9665804262901789,0.9763124528819135,0.8820077445000343,0.9066890548968543,0.9328974196422453
EOS-2-20469,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(F)c2)c1,TVSQXMXCLZBBJC-UHFFFAOYSA-N,2,1,0.573,35,429,464.863,4.801,5,0.359,0.71,1.0,0.9655266945377288,0.9724916044136797,0.9127373038174217,0.9304708381879241,0.9453066102391886
EOS-2-20470,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)cn1,PGGKROSFXAMHCD-UHFFFAOYSA-N,2,1,0.633,88,111,464.863,4.801,5,0.336,0.74,1.0,0.9661006785004455,0.9768264683709136,0.9223922280858063,0.9251250771023234,0.9476111130148721
EOS-2-20471,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)c1,RZGIVZZTNDSYQP-UHFFFAOYSA-N,2,1,0.602,35,919,464.863,4.801,5,0.336,0.71,1.0,0.967608457268179,0.97521588650538,0.9193595367007059,0.928149201562607,0.947583270509218
EOS-2-20472,Fc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5F)c4)n23)c1,YKPWBOAWTIJROR-UHFFFAOYSA-N,2,1,0.57,84,884,464.863,4.801,5,0.359,0.75,1.0,0.932227057775341,0.94976355287506,0.9184857103694058,0.9347714344458913,0.9338119388664246
EOS-2-20473,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cccnc1,DCOYLPGYSKPSJS-UHFFFAOYSA-N,2,1,0.576,35,919,464.863,4.801,5,0.336,0.72,1.0,0.9648841751764786,0.9685508189980124,0.9157442944280721,0.9222380234391063,0.9428543280104174
EOS-2-20474,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)cn1,JKLLQCRRNYEQKG-UHFFFAOYSA-N,2,1,0.565,35,919,464.863,4.801,5,0.336,0.73,1.0,0.9676170241929957,0.9747447056404633,0.9203361661298061,0.9304794051127407,0.9482943252690015
EOS-2-20475,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5F)c4)n23)cn1,TWNWHNOFYLOIJK-UHFFFAOYSA-N,2,1,0.6,88,884,464.863,4.801,5,0.336,0.74,1.0,0.9259560688095402,0.9559488725926941,0.9203447330546227,0.9314389006922075,0.9334221437872662
EOS-2-20476,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cnc1F,MKDGRWMVDWDKKV-UHFFFAOYSA-N,2,1,0.593,91,111,464.863,4.801,5,0.336,0.72,1.0,0.9749160441367967,0.9811870331025975,0.9193681036255226,0.9167209238571722,0.9480480261805223
EOS-2-20477,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)cn1,BKAWHHLCUZQYHW-UHFFFAOYSA-N,2,1,0.533,88,672,464.863,4.801,5,0.336,0.72,1.0,0.9477760263175931,0.9737081077376465,0.9127458707422383,0.9199592214378727,0.9385473065588377
EOS-2-20478,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)n5)nc4)n23)c1,FGTQIVQYGJMGSO-UHFFFAOYSA-N,2,1,0.571,11,524,464.863,4.801,5,0.336,0.7,1.0,0.9310790898499075,0.9664262216434789,0.8767048180385169,0.8914998971969021,0.9164275066822014
EOS-2-20479,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)c2)ccn1,SIYCLYDSDMIWAQ-UHFFFAOYSA-N,2,1,0.612,11,352,464.863,4.801,5,0.336,0.69,1.0,0.9486926872729765,0.9737166746624631,0.9214241655815228,0.9272925090809403,0.9427815091494758
EOS-2-20480,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)cn1,LVCWCYBJXOVHRA-UHFFFAOYSA-N,2,1,0.61,11,111,464.863,4.801,5,0.336,0.73,1.0,0.9700842985401961,0.9768350352957302,0.9259389349599068,0.9304879720375574,0.9508365602083476
EOS-2-20481,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cc1F,QPKRSALIHXXGKG-UHFFFAOYSA-N,2,1,0.57,84,884,464.863,4.801,5,0.336,0.73,1.0,0.9395432115687753,0.947570420121993,0.9324497978205744,0.9390463299294085,0.9396524398601878
EOS-2-20482,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)nn2)c1,NVHILBPPJWNZSX-UHFFFAOYSA-N,2,1,0.65,19,691,464.863,4.801,5,0.359,0.79,0.999,0.9375556850113084,0.9442550202179426,0.8866767185251182,0.917783222534439,0.921567661572202
EOS-2-20483,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cc1F,UXNCULAEGRQTNJ-UHFFFAOYSA-N,2,1,0.528,11,275,464.863,4.801,5,0.336,0.72,1.0,0.9443749571653759,0.940014392433692,0.8805770680556507,0.8984134055239531,0.915844955794668
EOS-2-20484,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)nn2)cc1,HJWGIMPBRGEEPZ-UHFFFAOYSA-N,2,1,0.568,19,691,464.863,4.801,5,0.359,0.8,1.0,0.939551778493592,0.9465252552943595,0.8831642793502844,0.9167294907819888,0.9214927009800562
EOS-2-20485,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)cc1Cl,PUKKRHCDMKQJJT-UHFFFAOYSA-N,2,1,0.667,19,691,464.863,4.801,5,0.359,0.77,1.0,0.9259646357343568,0.9344373243780413,0.8842522788020012,0.9167380577068056,0.9153480741553012
EOS-2-20486,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)cc(F)c1Cl,PVHXDQQHPGDVQJ-UHFFFAOYSA-N,2,1,0.633,24,583,464.863,4.801,5,0.336,0.66,1.0,0.9540641491330272,0.9132084846823384,0.9018658762250702,0.8997070111712699,0.9172113803029264
EOS-2-20487,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)nn2)cc1,CDPHUINJCUGZOL-UHFFFAOYSA-N,2,1,0.549,19,691,464.863,4.801,5,0.359,0.8,1.0,0.9322356247001576,0.945428688917826,0.8657991227468987,0.9101586594476047,0.9134055239531218
EOS-2-20488,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)ncc4Cl)n23)c(F)c1,ANZNNLAFXILEMU-UHFFFAOYSA-N,2,1,0.483,59,89,464.863,5.067,5,0.338,0.74,1.0,0.8951579740936193,0.9311647590980742,0.9193766705503392,0.9156671921047221,0.9153416489616888
EOS-2-20489,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)cc1F,HTWVKVPRELHMPE-UHFFFAOYSA-N,2,1,0.563,11,141,464.863,4.801,5,0.359,0.68,1.0,0.957216777465561,0.9442635871427593,0.8935816599273525,0.9089507230484545,0.9260031868960318
EOS-2-20490,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccc2F)cn1,BECFDNGYPWBKBN-UHFFFAOYSA-N,2,1,0.537,59,332,464.863,5.067,5,0.361,0.75,1.0,0.9643444589130286,0.9576965252552944,0.937435748063875,0.9365276540333082,0.9490010965663765
EOS-2-20491,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5F)c4)n23)c1,PPWZRZLGMLMRPQ-UHFFFAOYSA-N,2,1,0.539,11,490,464.863,4.801,5,0.359,0.64,1.0,0.9259732026591735,0.9465338222191763,0.8820163114248509,0.9056695908436707,0.9150482317867179
EOS-2-20492,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccc2F)cn1,ZBEJNAQHEQADII-UHFFFAOYSA-N,2,1,0.716,59,13,464.863,5.067,5,0.361,0.74,1.0,0.9842454252621479,0.9730313206771297,0.9496521828524432,0.9439637447741759,0.9627231683914742
EOS-2-20493,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)nc1,HMMGYTHAOTXAAH-UHFFFAOYSA-N,2,1,0.551,11,429,464.863,4.801,5,0.336,0.69,1.0,0.9365533548077583,0.9282091700363237,0.8888612843533685,0.8984219724487698,0.9130114454115551
EOS-2-20494,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)ccc1Cl,LIKGQVBYARXUCZ-UHFFFAOYSA-N,2,1,0.667,19,691,464.863,4.801,5,0.359,0.77,1.0,0.9272582413816737,0.9328524432869577,0.884260845726818,0.9156757590295388,0.9150118223562471
EOS-2-20495,Cc1nc(-c2ccc(F)c(F)c2)ccc1-c1nnc2cncc(OCc3cnccc3Cl)n12,MMARXRKGQBVMED-UHFFFAOYSA-N,2,1,0.494,59,89,464.863,5.067,5,0.361,0.7,1.0,0.9031851826468371,0.8879874580220684,0.9146819957508053,0.9199677883626893,0.9064556061956
EOS-2-20496,Fc1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1-c1ccncc1,IPANNHUEQCCUPW-UHFFFAOYSA-N,2,1,0.566,35,919,464.863,4.801,5,0.336,0.65,1.0,0.968173874306079,0.9692533068329793,0.9233345898156398,0.9293314371873073,0.9475233020355014
EOS-2-20497,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nn4)n23)cc1F,FQWMBRUPUUCEBP-UHFFFAOYSA-N,2,1,0.697,19,691,464.863,4.801,5,0.359,0.82,0.999,0.9661092454252621,0.9699300938934959,0.8935902268521692,0.922246590363923,0.9379690391337125
EOS-2-20498,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)c(F)c5)nc4)n23)cc1,AYGSPZOWSCSROH-UHFFFAOYSA-N,2,1,0.658,84,222,464.863,4.801,5,0.336,0.78,0.999,0.9532160235761771,0.9757641696936468,0.9081796998149544,0.9133284216297718,0.9376220786786376
EOS-2-20499,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1noc(CO)n1,YVUJOSFYYGZAEJ-UHFFFAOYSA-N,2,1,0.386,7,717,464.873,2.918,5,0.382,0.56,0.915,0.4783599479130971,0.46619491467342883,0.09056952916181207,0.11473682406963197,0.2874653039544925
EOS-2-20500,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1nnc(C)o1,AISJYORGMJCKHX-UHFFFAOYSA-N,2,1,0.479,72,482,464.873,3.223,5,0.354,0.7,1.0,0.7148584744020287,0.6337039956137345,0.15769995202522102,0.12808409293400042,0.40858662874374607
EOS-2-20501,CC(C)(O)c1ccc(-c2nnc3cncc(OCc4noc(-c5cnc(Cl)cn5)n4)n23)cc1,GMGYGUDJIAOCHD-UHFFFAOYSA-N,2,1,0.472,51,408,464.873,3.091,5,0.399,0.74,1.0,0.6816188061133576,0.6533822219176204,0.43380337194160784,0.32562881228154344,0.5236083030635323
EOS-2-20502,OCc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4nn[nH]c4CO)nc3)n12,GRHMCETUSWSLJO-UHFFFAOYSA-N,2,1,0.429,55,283,464.873,2.188,5,0.329,0.52,0.605,0.47338256459461314,0.5429031594818724,0.4375214173120417,0.45610307723939414,0.47747755465698033
EOS-2-20503,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1noc(C)n1,BKKFOMDZWODJSQ-UHFFFAOYSA-N,2,1,0.423,49,896,464.873,3.223,5,0.354,0.63,0.999,0.59936776094853,0.4747875402645466,0.10783188266739771,0.09915358782811322,0.3202851929271468
EOS-2-20504,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1nnoc1C,TWWSHBRITJHOHO-UHFFFAOYSA-N,2,1,0.457,20,279,464.873,3.223,5,0.354,0.65,1.0,0.4979439380439997,0.5478805428003564,0.1671835377972723,0.14643444589130286,0.3398606161332328
EOS-2-20505,Fc1ccc(Cl)cc1-n1cc(-c2cncc3nnc(-c4ncoc4-c4ccsc4)n23)nn1,ONTXOCHSZBKBLE-UHFFFAOYSA-N,2,1,0.26,10,872,464.873,4.548,6,0.377,0.66,1.0,0.028159481872387086,0.07960386539647728,0.45897299705297784,0.6238263313001166,0.2976406689054897
EOS-2-20506,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1n[nH]c(=O)n1C,HNXTWMGMMRANSQ-UHFFFAOYSA-N,2,1,0.447,16,718,464.873,2.516,5,0.38,0.53,1.0,0.5005739839627168,0.502116030429717,0.2936399150161058,0.26195942704406827,0.3895723391131519
EOS-2-20507,CCOc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1nnc(C)o1,AIJLLZFGJNHQBZ-UHFFFAOYSA-N,2,1,0.374,49,565,464.873,3.571,5,0.33,0.68,0.998,0.4733911315194298,0.4442121855938592,0.15156603385648687,0.12391200054828319,0.2982703378795148
EOS-2-20508,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1nnc(C)o1,OIVTWUQMOJCNTM-UHFFFAOYSA-N,2,1,0.443,49,501,464.873,3.223,5,0.354,0.69,0.981,0.5207405249811528,0.42635871427592353,0.095007196216846,0.08384449318072784,0.2814877321636625
EOS-2-20509,CCOc1cc(-c2nnc(C)o2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,UIFXJZKLMSUZEH-UHFFFAOYSA-N,2,1,0.468,51,196,464.873,3.571,5,0.352,0.68,1.0,0.49543382907271605,0.48809197450483177,0.1703190322801727,0.13010588719073402,0.3209876807621136
EOS-2-20510,COc1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(OC)c5)n34)nn2)c1,ZPIJTHPPUNNROR-UHFFFAOYSA-N,2,1,0.484,36,67,464.873,3.017,5,0.358,0.63,1.0,0.3403810568158454,0.5066393667329175,0.3793434308820506,0.2855527379891714,0.3779791481049962
EOS-2-20511,N#Cc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4cccc(C#N)n4)n23)cc1,TYHFNOHIQVLRRD-UHFFFAOYSA-N,2,1,0.453,1,347,464.876,4.224,5,0.354,0.7,1.0,0.8859485299157015,0.9171664039476389,0.8047083818792407,0.8090689466109245,0.8542230655883765
EOS-2-20512,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1-c1cnc(CO)cn1,BAKCYGLPWVXITI-UHFFFAOYSA-N,2,1,0.373,31,569,464.877,1.539,5,0.376,0.56,0.99,0.34038962374066206,0.21960455075046262,0.052326776780206974,0.06250428346240833,0.168706308683435
EOS-2-20513,CC(C)N=c1[nH]nc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)o1,CNPNMXAVNKNFRS-UHFFFAOYSA-N,2,1,0.365,31,395,464.877,2.501,5,0.4,0.46,0.0,0.41698649852648895,0.2145243643341786,0.11908882187649922,0.08739976697964498,0.20949986292920295
EOS-2-20514,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nc(C)nn1C,VYXGMYLSVTWXSE-UHFFFAOYSA-N,2,1,0.368,51,924,464.877,2.321,5,0.368,0.54,0.862,0.3331334384209444,0.2864865327941882,0.02079192653005277,0.013758481255568502,0.16354259475018848
EOS-2-20515,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cc2)nc1,VVYACBKVQFKJRB-UHFFFAOYSA-N,2,1,0.342,42,725,464.88,3.816,6,0.383,0.68,1.0,0.2704321156877527,0.2761205537660201,0.4338119388664245,0.47780309780001373,0.3645419265300528
EOS-2-20516,Clc1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cn1,CVNZDQGGIYPIMQ-UHFFFAOYSA-N,2,1,0.316,42,608,464.88,3.816,6,0.358,0.73,1.0,0.2624220409841683,0.3796261394010006,0.3865053800287849,0.4181687341511891,0.36168057364128575
EOS-2-20517,Clc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cnn2)c1,RVKWNPUBQPTFHT-UHFFFAOYSA-N,2,1,0.265,86,421,464.88,3.816,6,0.383,0.54,0.779,0.22156637653347955,0.24539099444863272,0.47621821670893016,0.5432201357000891,0.37159893084778284
EOS-2-20518,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cn2)cn1,OVEHVZAIGWROLM-UHFFFAOYSA-N,2,1,0.313,94,165,464.88,3.816,6,0.358,0.65,1.0,0.19686793228702626,0.3605047632101981,0.4870553766020149,0.5296415598656706,0.3935174079912275
EOS-2-20519,Clc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)nn1,RPFCPGCDCFWOBI-UHFFFAOYSA-N,2,1,0.325,38,186,464.88,3.816,6,0.383,0.74,0.738,0.22995339592899733,0.3461208964430128,0.2865379343430882,0.4052326776780207,0.31696122609827976
EOS-2-20520,Clc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)nc2)cn1,PRKJGFPIJVMOLJ-UHFFFAOYSA-N,2,1,0.305,94,165,464.88,3.816,6,0.358,0.68,1.0,0.22443629634706325,0.3265112055376602,0.5111884038105682,0.5163199917757522,0.39461397436776097
EOS-2-20521,Cn1ccc(COc2cncc3nnc(-c4ccc(OCc5ccc(Cl)cc5F)cc4)n23)n1,USICVGGLCFCXMP-UHFFFAOYSA-N,2,1,0.588,43,521,464.888,4.475,5,0.353,0.78,1.0,0.6164844767322322,0.7484493866081832,0.8554417106435473,0.8157511479679255,0.7590316804879721
EOS-2-20522,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4O)n23)c(F)c1,OOWDYSVTQZXFPT-UHFFFAOYSA-N,2,1,0.522,88,70,464.888,4.311,5,0.402,0.76,1.0,0.8106623946268248,0.757221917620451,0.839464395860462,0.8196062641354259,0.8067387430607909
EOS-2-20523,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1cnn(C)c1,GNGHVRNGQMKSEZ-UHFFFAOYSA-N,2,1,0.506,43,623,464.888,4.572,5,0.366,0.68,1.0,0.7088359262559112,0.7441059557261326,0.8866852854499349,0.8356007127681447,0.7938069700500309
EOS-2-20524,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ccnn1C,RHGRGWAWAWGOHD-UHFFFAOYSA-N,2,1,0.667,43,96,464.888,4.572,5,0.366,0.71,1.0,0.79997943938044,0.7484579535329998,0.8855715852237681,0.8235984510999932,0.8144018573093004
EOS-2-20525,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2O)n1,KCWUDAHUWCDLDO-UHFFFAOYSA-N,2,1,0.679,91,781,464.888,4.311,5,0.402,0.6,1.0,0.8567610170653143,0.8659104927695155,0.8394729627852786,0.8068758138578576,0.8422550716194914
EOS-2-20526,Cn1[nH]c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2F)cc1=O,PVZNEYGELSXACG-UHFFFAOYSA-N,2,1,0.692,91,231,464.888,3.899,5,0.411,0.63,1.0,0.7887225001713385,0.8306318963744774,0.8087091357686245,0.8255260091837434,0.813397385374546
EOS-2-20527,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1-c1ccn(C)n1,PKTGXUUDCPREFH-UHFFFAOYSA-N,2,1,0.658,43,96,464.888,4.572,5,0.366,0.74,1.0,0.8614985264889315,0.8231444040847098,0.8792149270098005,0.8112192447399081,0.8437692755808376
EOS-2-20528,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2C)o1,HTTLIVSZHQWKHZ-UHFFFAOYSA-N,2,1,0.714,91,781,464.888,4.872,5,0.354,0.74,1.0,0.8933246521828524,0.7951733945582894,0.7105664450688781,0.6851055445137414,0.7710425090809403
EOS-2-20529,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnn5C)c4)n23)ccc1Cl,QRGGMDBPADKWMB-UHFFFAOYSA-N,2,1,0.56,43,67,464.888,4.572,5,0.366,0.69,1.0,0.7914553491878555,0.8479542183537797,0.8911829209786855,0.8395928997327119,0.8425463470632581
EOS-2-20530,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1nccn1C,OIUULPZHZXOYHP-UHFFFAOYSA-N,2,1,0.667,59,718,464.888,4.572,5,0.366,0.74,1.0,0.8859570968405182,0.7611712699609349,0.8524432869577137,0.7821945034610376,0.820441539305051
EOS-2-20531,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1cncn1C,GGPJBMVQKGUFFM-UHFFFAOYSA-N,2,1,0.5,43,521,464.888,4.572,5,0.366,0.71,1.0,0.847945651428963,0.7116373106709616,0.8899921184291687,0.8296467000205606,0.8198054451374135
EOS-2-20532,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1O,KZZZORNCBGWQKL-UHFFFAOYSA-N,2,1,0.619,59,96,464.888,4.752,5,0.39,0.67,1.0,0.8803971626345007,0.8113734493866082,0.8642827770543485,0.8315057227057775,0.8468897779453087
EOS-2-20533,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnn(C)c5)c4)n23)ccc1Cl,UYHULAJXUJVBQH-UHFFFAOYSA-N,2,1,0.566,43,623,464.888,4.572,5,0.366,0.69,1.0,0.7801298745802207,0.8540967034473306,0.9109296826811047,0.8640771708587486,0.8523083578918511
EOS-2-20534,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1,UPVYHBTXINQMPD-UHFFFAOYSA-N,2,1,0.545,15,187,464.892,3.879,5,0.337,0.61,1.0,0.8106709615516414,0.7484665204578165,0.4625368377767117,0.4778116647248304,0.62487149612775
EOS-2-20535,CCn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1Cl,CLFCSNNYRDOYMK-UHFFFAOYSA-N,2,1,0.528,37,161,464.892,3.879,5,0.36,0.65,1.0,0.5878538139949284,0.7207439517510794,0.4152731135631554,0.48407408676581454,0.5519862415187444
EOS-2-20536,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)ccn2)n1C,ZEYWIYNPOPZIRA-UHFFFAOYSA-N,2,1,0.598,37,752,464.892,3.704,5,0.378,0.63,1.0,0.5289219381810705,0.5708142005345761,0.3342557055719279,0.40865088067987115,0.46066068124186144
EOS-2-20537,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)c1CF,KFNXZPRGBKXRNA-UHFFFAOYSA-N,2,1,0.479,87,349,464.892,3.726,5,0.362,0.68,1.0,0.4542012199300939,0.5066479336577342,0.41528168048797204,0.4402028647796587,0.4540834247138647
EOS-2-20538,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)c1,IXJZBWQUVSFSMY-UHFFFAOYSA-N,2,1,0.533,84,908,464.892,3.879,5,0.36,0.69,1.0,0.5130302926461517,0.5293160167226373,0.49356623946268247,0.5432287026249057,0.5197853128640944
EOS-2-20539,CCn1cncc1-c1cnc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cn1,WXZXIBKQZNAGKB-UHFFFAOYSA-N,2,1,0.442,26,864,464.892,3.879,5,0.36,0.63,1.0,0.5818655335480776,0.5618189294770749,0.4902679734082654,0.5296501267904873,0.5409006408059762
EOS-2-20540,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)nn1C,MEVFACPCTVMZBI-UHFFFAOYSA-N,2,1,0.576,84,35,464.892,3.704,5,0.378,0.72,1.0,0.47064114865327944,0.52480981426907,0.4011548214652868,0.4309420190528408,0.45688695086011927
EOS-2-20541,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccc2F)cn1,RSYZQEKSUBTJCS-UHFFFAOYSA-N,2,1,0.484,20,279,464.892,3.879,5,0.36,0.66,1.0,0.5791498183811938,0.6287351792200672,0.45898156397779455,0.4840826536906312,0.5377373038174217
EOS-2-20542,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)n(C)n1,SILKKHCJCBJYFX-UHFFFAOYSA-N,2,1,0.57,37,626,464.892,3.704,5,0.353,0.71,1.0,0.7179768350352957,0.8076982386402577,0.3977280515386197,0.4342145843328079,0.5894044273867453
EOS-2-20543,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c(F)c1,RYSBGLYOMLHFFC-UHFFFAOYSA-N,2,1,0.551,37,908,464.892,3.879,5,0.337,0.65,1.0,0.7630731272702351,0.782931258995271,0.4589901309026112,0.4928980193269824,0.6244731341237749
EOS-2-20544,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1F,AMEFUYSYTYEWHY-UHFFFAOYSA-N,2,1,0.463,26,125,464.892,3.879,5,0.36,0.73,1.0,0.6816273730381742,0.682355561647591,0.46254540470152833,0.4840912206154479,0.5776548900006854
EOS-2-20545,CCn1cnnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1F,LPORMMJTPUZTRY-UHFFFAOYSA-N,2,1,0.557,37,908,464.892,3.879,5,0.337,0.67,1.0,0.7971266534164896,0.7995082585155233,0.4557346994722774,0.4989976697964499,0.6378418203001851
EOS-2-20546,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)nn1C,QTKKGXHVEFHEGJ-UHFFFAOYSA-N,2,1,0.59,37,626,464.892,3.704,5,0.353,0.69,1.0,0.7179854019601124,0.8113820163114248,0.3715046946747995,0.4052412446028374,0.5765283393872935
EOS-2-20547,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)c1,PCVDSPJVAQAHRF-UHFFFAOYSA-N,2,1,0.434,26,643,464.892,3.879,5,0.36,0.69,0.998,0.4564714550065109,0.4528904804331437,0.5584863957233911,0.5939962990884792,0.5154611575628812
EOS-2-20548,CCn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)c1,JRCWHBDDJICJCV-UHFFFAOYSA-N,2,1,0.479,65,184,464.892,3.879,5,0.337,0.6,1.0,0.5311579055582208,0.5107429237201014,0.48003049825234734,0.46874785826879584,0.49766979644986636
EOS-2-20549,Cn1c(CF)nc(Cl)c1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,SYSDSMTVFINZOS-UHFFFAOYSA-N,2,1,0.489,75,496,464.892,3.726,5,0.362,0.63,1.0,0.4681396066068124,0.5066565005825509,0.17032759920498938,0.2468045370433829,0.3479820608594339
EOS-2-20550,Cc1nn(C)cc1-c1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1F,BDXYZZFADZMVJJ-UHFFFAOYSA-N,2,1,0.436,31,773,464.892,3.704,5,0.378,0.68,0.999,0.4905506819272154,0.47052121170584604,0.37935199780686724,0.40524981152765405,0.4364184257418957
EOS-2-20551,CCn1ncnc1-c1cncc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)c1,QMHAAMCOHNQCHG-UHFFFAOYSA-N,2,1,0.505,84,672,464.892,3.879,5,0.36,0.75,1.0,0.45648002193132753,0.4881005414296484,0.4264443835240902,0.49290658625179906,0.46598288328421633
EOS-2-20552,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)nn2C)cn1,OFTRSKZEFFKWBK-UHFFFAOYSA-N,2,1,0.473,95,998,464.892,3.704,5,0.378,0.67,0.999,0.4264443835240902,0.4356538277020081,0.5078730039065177,0.5163285587005688,0.4715749434582962
EOS-2-20553,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1cnnn1C,BLKNRWTZHVACDA-UHFFFAOYSA-N,2,1,0.581,95,308,464.892,3.704,5,0.378,0.63,0.869,0.5818741004728942,0.5760228908231101,0.5111969707353848,0.5259406483448701,0.5487586525940649
EOS-2-20554,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)c2)cn1,ZRJMNNCLKNQQMU-UHFFFAOYSA-N,2,1,0.479,65,349,464.892,3.879,5,0.337,0.62,1.0,0.4015574669316702,0.42200671646905624,0.5721249400315263,0.5462099924611061,0.48547477897333974
EOS-2-20555,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1F,VQGVQMJGRAPFNQ-UHFFFAOYSA-N,2,1,0.463,26,279,464.892,3.879,5,0.36,0.68,1.0,0.6816359399629909,0.657879857446371,0.4697159207730793,0.48683263655678155,0.5740160886848057
EOS-2-20556,FCCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,DPIUHJTVQRFEHO-UHFFFAOYSA-N,2,1,0.434,20,279,464.892,3.689,5,0.345,0.68,0.999,0.5568415461585909,0.5293245836474539,0.32663114248509356,0.377475841272017,0.4475682783907889
EOS-2-20557,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)nc1,ARAUEOONAPGETF-UHFFFAOYSA-N,2,1,0.434,31,773,464.892,3.704,5,0.353,0.66,0.999,0.49303509012404906,0.492700980056199,0.5112055376602015,0.4687564251936125,0.4914245082585155
EOS-2-20558,FCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2)cn1,MOWWBMLIMIHMCC-UHFFFAOYSA-N,2,1,0.423,18,773,464.892,3.689,5,0.323,0.76,1.0,0.4470992392570763,0.4442207525186759,0.3977366184634364,0.4119405798094716,0.425249297512165
EOS-2-20559,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ncn2)cn1,CBONFYQMOBULKM-UHFFFAOYSA-N,2,1,0.462,44,749,464.892,3.879,5,0.36,0.68,1.0,0.42172400795010623,0.36051333013501474,0.48706394352683163,0.5129788910972517,0.4455700431773011
EOS-2-20560,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)c2)n(C)n1,IZWNQAKSJJQZLQ-UHFFFAOYSA-N,2,1,0.495,65,35,464.892,3.704,5,0.353,0.56,1.0,0.5440682612569392,0.5663336988554588,0.5078815708313343,0.48982249331779865,0.5270265060653828
EOS-2-20561,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)ncn2)cn1,JBGZMSOSFKTRET-UHFFFAOYSA-N,2,1,0.474,31,194,464.892,3.879,5,0.36,0.65,1.0,0.4217325748749229,0.3796347063258173,0.5249725858405867,0.5332396682886711,0.4648948838324995
EOS-2-20562,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)n1,JQMXAPMZIBQQKW-UHFFFAOYSA-N,2,1,0.484,58,271,464.892,3.879,5,0.337,0.61,1.0,0.6756305256665067,0.6101620862175313,0.45899869782742786,0.45307038585429377,0.5494654238914399
EOS-2-20563,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cc1,DUSSBGNAEXKVSW-UHFFFAOYSA-N,2,1,0.516,15,734,464.892,3.879,5,0.337,0.63,1.0,0.8028065245699404,0.734759440751148,0.3901977246247687,0.42460249468850664,0.5880915461585909
EOS-2-20564,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(F)c1,WHRQJHVDKJQKSH-UHFFFAOYSA-N,2,1,0.479,37,908,464.892,3.879,5,0.337,0.67,1.0,0.7391114385580152,0.7207525186758961,0.3676067438832157,0.4279178945925571,0.563847148927421
EOS-2-20565,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(F)c1,WAERQUBBEGHUIJ-UHFFFAOYSA-N,2,1,0.495,37,589,464.892,3.879,5,0.36,0.67,1.0,0.7332516619834144,0.7300476321019806,0.4047272291138373,0.46876499211842915,0.5841978788294153
EOS-2-20566,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)nc1,GJKPPKMDHURSQM-UHFFFAOYSA-N,2,1,0.444,84,908,464.892,3.879,5,0.36,0.66,1.0,0.5735727503255431,0.6287437461448838,0.43382050579124115,0.4929151531766157,0.5322630388595709
EOS-2-20567,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nc1,AQLIZLNBJSQPPG-UHFFFAOYSA-N,2,1,0.58,84,308,464.892,3.879,5,0.36,0.66,1.0,0.7058203687204441,0.6287523130697005,0.4590072647522445,0.5028784867384004,0.5741146083201973
EOS-2-20568,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)ccn1,MCTWLPFAYWIZLI-UHFFFAOYSA-N,2,1,0.479,75,624,464.892,3.879,5,0.337,0.61,1.0,0.6275872112946337,0.542911726406689,0.480039065177164,0.48077582071139746,0.532828455897471
EOS-2-20569,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)n1C,NXLGETGKCQHMRE-UHFFFAOYSA-N,2,1,0.545,37,563,464.892,3.704,5,0.378,0.66,1.0,0.7179939688849291,0.8077068055650743,0.3194006579398259,0.38046569803303404,0.5563917826057158
EOS-2-20570,FCCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccn1,ILKOHHJQDYZSQR-UHFFFAOYSA-N,2,1,0.474,75,624,464.892,3.689,5,0.345,0.64,0.991,0.5623243780412583,0.4662034815982455,0.4011633883901035,0.4371958741690083,0.4667217805496539
EOS-2-20571,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cn2)c1,WSLUXLNLHZGMHG-UHFFFAOYSA-N,2,1,0.475,58,579,464.892,3.879,5,0.337,0.67,1.0,0.669410938249606,0.6725721335069563,0.43752998423685835,0.41817730107600576,0.5494225892673567
EOS-2-20572,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc(Cl)n1,IUJGGYMWYCPLEG-UHFFFAOYSA-N,2,1,0.455,26,624,464.892,3.879,5,0.337,0.63,0.833,0.4856589678568981,0.5021245973545336,0.38287300390651774,0.4086594476046878,0.44482900418065935
EOS-2-20573,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ncn1,IQSIFJYXTXADFS-UHFFFAOYSA-N,2,1,0.438,44,864,464.892,3.879,5,0.36,0.66,0.677,0.5311664724830375,0.46186861764101156,0.4870725104516483,0.5194726201082859,0.49989505517099575
EOS-2-20574,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)c(C)n1,PIYQFJKHMTZTBZ-UHFFFAOYSA-N,2,1,0.473,55,329,464.892,4.145,5,0.348,0.63,1.0,0.4169950654513056,0.39869611404290317,0.48004763210198065,0.44021143170447535,0.4339875608251662
EOS-2-20575,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)n1,APDQHSHYSBUYOJ-UHFFFAOYSA-N,2,1,0.655,84,360,464.892,3.879,5,0.36,0.73,1.0,0.6567747241450209,0.7023250633952437,0.4152902474127887,0.4530789527791104,0.5568672469330409
EOS-2-20576,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)nn1C,WIVHISGUSRQLRW-UHFFFAOYSA-N,2,1,0.687,84,360,464.892,3.704,5,0.378,0.71,1.0,0.7599204989377013,0.7528870536632171,0.36396580083613184,0.3960575011993695,0.5682077136591049
EOS-2-20577,Cc1cc(-c2nnc3cncc(OCc4ncc(F)c(-c5cnn(C)c5C)n4)n23)ccc1Cl,WQYSQFOVOKXZAC-UHFFFAOYSA-N,2,1,0.462,51,196,464.892,3.97,5,0.388,0.7,1.0,0.47836851483791376,0.6578884243711877,0.39020629154958536,0.3931019121376191,0.4798912857240765
EOS-2-20578,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ncc5F)n34)cn2)cn1,RAJWBZOVMFPFEF-UHFFFAOYSA-N,2,1,0.49,65,468,464.892,3.879,5,0.337,0.65,1.0,0.518101912137619,0.552352477554657,0.5184188883558358,0.49292372010143237,0.520449249537386
EOS-2-20579,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)c(F)c1,PGWTUDYXYGSXOH-UHFFFAOYSA-N,2,1,0.458,26,448,464.892,3.879,5,0.36,0.64,1.0,0.6246230553080666,0.6287608799945171,0.40117195531492017,0.440219998629292,0.523693972311699
EOS-2-20580,Cc1c(-c2ncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)cnn1C,QPVNIFQDNACFPM-UHFFFAOYSA-N,2,1,0.5,65,578,464.892,3.704,5,0.353,0.65,1.0,0.5907665684325955,0.6053046398464808,0.4483500102803098,0.4402285655541087,0.5211624460283737
EOS-2-20581,Cc1nc(-c2cncn2C)cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)n1,LBAAJJXCXXRYBU-UHFFFAOYSA-N,2,1,0.563,31,308,464.892,3.704,5,0.378,0.64,1.0,0.6360256322390515,0.47052977863066275,0.5040435885134672,0.49900623672126654,0.527401309026112
EOS-2-20582,CC(C)n1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,XQXOSIVEZDQWJZ-UHFFFAOYSA-N,2,1,0.536,34,32,464.892,4.397,5,0.367,0.7,0.999,0.6756390925913234,0.8153913371256254,0.24987149612774998,0.31649647042697554,0.5143495990679186
EOS-2-20583,CCn1c(-c2ccc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)c(F)c2)cnc1Cl,SERQTVTWAVNTKN-UHFFFAOYSA-N,2,1,0.457,4,208,464.892,4.145,5,0.372,0.64,1.0,0.5155061339181687,0.6053132067712974,0.43382907271605786,0.42792646151737374,0.4956437187307244
EOS-2-20584,CCn1cncc1-c1cnc(Cl)c(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c1,BTNJCWVUGZOEJT-UHFFFAOYSA-N,2,1,0.441,26,304,464.892,3.879,5,0.337,0.58,0.885,0.5568501130834076,0.6053217736961141,0.462553971626345,0.4718919196765129,0.5241544445205949
EOS-2-20585,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)c1,LTPHQWRZNYIQIP-UHFFFAOYSA-N,2,1,0.544,37,908,464.892,3.879,5,0.337,0.67,1.0,0.7801384415050373,0.7829398259200877,0.469724487697896,0.5060996504694675,0.6347256013981222
EOS-2-20586,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)n(C)n1,DOJULCNTYVNAOB-UHFFFAOYSA-N,2,1,0.505,37,639,464.892,3.704,5,0.353,0.66,1.0,0.7271862792132137,0.7572304845452676,0.30087039956137346,0.35148379137824687,0.5341927386745254
EOS-2-20587,CCc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2F)c[nH]1,IJZZVNPPMXXHRP-UHFFFAOYSA-N,2,1,0.474,20,279,464.892,3.948,5,0.388,0.64,1.0,0.7332602289082311,0.7023336303200604,0.390214858474402,0.4181858680008224,0.560998646425879
EOS-2-20588,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)n1,JRAJRJYKAJIPKS-UHFFFAOYSA-N,2,1,0.562,37,669,464.892,3.879,5,0.337,0.74,1.0,0.6390840243986019,0.7347680076759646,0.41529881433760535,0.44340689466109245,0.558139435268316
EOS-2-20589,Cc1cc(-c2nnc3cncc(OCCc4cc(Cl)ncc4F)n23)ccc1-c1ncnn1C,LBTPWGYMWRPWQZ-UHFFFAOYSA-N,2,1,0.529,37,438,464.892,3.704,5,0.353,0.57,1.0,0.6694195051744226,0.6429819751901857,0.5148721814817353,0.4960677815091495,0.5808353608388733
EOS-2-20590,CCn1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cc5F)n34)cn2)c1C,LSGJCBLNZZILBN-UHFFFAOYSA-N,2,1,0.436,55,468,464.892,4.145,5,0.348,0.71,1.0,0.41942807209923927,0.4976355287505997,0.44835857720512645,0.43095058597765745,0.4490931910081557
EOS-2-20591,CCn1cc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)ccn2)c(C)n1,XUSKSTJFJYCPEQ-UHFFFAOYSA-N,2,1,0.461,92,980,464.892,4.145,5,0.372,0.68,1.0,0.41245459529847167,0.4175433486395723,0.4660407100267288,0.4530875197039271,0.43728154341717496
EOS-2-20592,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)n(C)n1,SKFJYNXUFLJIBF-UHFFFAOYSA-N,2,1,0.581,37,669,464.892,3.704,5,0.353,0.64,1.0,0.7540521554382839,0.795181961483106,0.39022342539921867,0.415024672743472,0.5886205537660202
EOS-2-20593,CCn1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)c1F,HIZPIHUWTUCXCI-UHFFFAOYSA-N,2,1,0.495,65,329,464.892,3.879,5,0.36,0.66,1.0,0.4757727366184634,0.43566239462682477,0.41900829278322255,0.4468165307381262,0.44431498869165925
EOS-2-20594,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)ncn1,KQSUMAXFJAXIOF-UHFFFAOYSA-N,2,1,0.449,31,864,464.892,3.879,5,0.36,0.63,0.944,0.5236789801932699,0.44862415187444316,0.5249811527654034,0.5363323281474882,0.5084041532451511
EOS-2-20595,CCn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)c1F,PMPYGTSNVXXDIQ-UHFFFAOYSA-N,2,1,0.517,75,329,464.892,3.879,5,0.337,0.68,1.0,0.4519652525529436,0.41755191556438903,0.4338376396408745,0.4468250976629429,0.4375449763552875
EOS-2-20596,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)c1,CQBDAVJQOQURDQ-UHFFFAOYSA-N,2,1,0.484,15,931,464.892,3.879,5,0.36,0.65,1.0,0.5130388595709684,0.5248183811938867,0.35276026317593034,0.4052583784524707,0.448968970598314
EOS-2-20597,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,QASBNWDSKSTYOG-UHFFFAOYSA-N,2,1,0.655,84,908,464.892,3.879,5,0.36,0.69,1.0,0.7659002124597355,0.7394969501747652,0.45213659104927695,0.4990148036460832,0.6141371393324653
EOS-2-20598,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cn1,WOSBEKOHUYMSFR-UHFFFAOYSA-N,2,1,0.505,84,672,464.892,3.879,5,0.36,0.64,1.0,0.6508292783222535,0.7253786580768967,0.42645295044890685,0.4929322870262491,0.5738982934685766
EOS-2-20599,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)ccn1,WBTRGTLKUZFPCM-UHFFFAOYSA-N,2,1,0.469,75,624,464.892,3.879,5,0.36,0.62,1.0,0.5543742718113905,0.4881091083544651,0.49027654033308204,0.4807843876362141,0.5033860770337879
EOS-2-20600,Cc1nc(-c2cn[nH]c2C)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,OWUHGRMEVZXMMZ-UHFFFAOYSA-N,2,1,0.457,65,265,464.892,4.002,5,0.404,0.55,0.998,0.7512593379480502,0.7116458775957782,0.5285278596395038,0.5061082173942841,0.6243853231444041
EOS-2-20601,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccc2F)n(C)n1,QWWYSSZQUDOSFY-UHFFFAOYSA-N,2,1,0.522,37,589,464.892,3.704,5,0.378,0.65,0.997,0.6633541224042218,0.7658402439860188,0.33426427249674456,0.39606606812418615,0.5398811767527929
EOS-2-20602,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ncn1,WZEOEXLUSCMRNB-UHFFFAOYSA-N,2,1,0.538,31,864,464.892,3.879,5,0.36,0.64,0.958,0.602357617709547,0.45730244671372766,0.5452676307312727,0.54943972311699,0.5385918545678844
EOS-2-20603,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)ncn1,PSMGYXRSEOHTDT-UHFFFAOYSA-N,2,1,0.457,31,864,464.892,3.879,5,0.36,0.61,1.0,0.5080786101021177,0.43089918442875746,0.5078901377561511,0.5296586937153039,0.49413165650058255
EOS-2-20604,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ncn2)c(C)n1,DEFDHUARMHJHOB-UHFFFAOYSA-N,2,1,0.529,44,488,464.892,4.145,5,0.372,0.65,0.798,0.414741964224522,0.4175604824892057,0.4935748063874991,0.4898310602426153,0.4539270783359605
EOS-2-20605,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ncn1,PCVJCOIHHSRTJJ-UHFFFAOYSA-N,2,1,0.538,31,864,464.892,3.879,5,0.36,0.62,0.958,0.5993763278733466,0.46187718456582827,0.5452761976560894,0.5526523199232404,0.5397955075046261
EOS-2-20606,Clc1cc(-c2nnc3cncc(OCc4cnc5ccccc5c4)n23)ccc1-c1ccncc1,UXCWTKXGVNOWBU-UHFFFAOYSA-N,2,1,0.473,41,177,464.916,5.634,6,0.329,0.77,1.0,0.8615070934137482,0.8604276608868481,0.8714018915769995,0.890163456925502,0.8708750257007745
EOS-2-20607,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5Cl)n34)nc2)on1,LDRHDWCGEZBHHN-UHFFFAOYSA-N,2,1,0.309,93,737,464.916,6.137,6,0.312,0.78,1.0,0.1768898636145569,0.29183229387978893,0.8008361318621068,0.837605373175245,0.5267909156329244
EOS-2-20608,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)cn2)cc1,HFBAFMQLQQZCPL-UHFFFAOYSA-N,2,1,0.387,17,960,464.916,6.09,6,0.309,0.79,1.0,0.057055719279007606,0.34612946336782946,0.870022616681516,0.8970855321773696,0.5425733328764306
EOS-2-20609,Clc1cccc2nc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)ccc12,HJPAICUCWCSJLI-UHFFFAOYSA-N,2,1,0.545,12,492,464.916,5.634,6,0.329,0.81,1.0,0.7483551504351997,0.8443475430059626,0.8410064423274621,0.8705537660201494,0.8260657254471935
EOS-2-20610,COCn1c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)cnc1C,LEJPGSKYPOELFX-UHFFFAOYSA-N,2,1,0.489,36,404,464.917,3.533,5,0.363,0.64,0.99,0.5681584538414091,0.692233225961209,0.22832568021383046,0.2263467205811802,0.4287660201494072
EOS-2-20611,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)c2)nn1,SJUDCVNMBVQKKH-UHFFFAOYSA-N,2,1,0.333,30,220,464.92,4.969,6,0.366,0.72,1.0,0.07766774038791036,0.2453995613734494,0.5942533068329793,0.687744157357275,0.40126619148790355
EOS-2-20612,Cn1c(-c2ccc(Cl)cc2)nnc1-c1cncc2nnc(-c3cccnc3-c3ccccc3)n12,DOOKRQKYNALKOG-UHFFFAOYSA-N,2,1,0.372,3,220,464.92,4.969,6,0.366,0.71,1.0,0.18284387636214106,0.41756904941402234,0.3449729285175793,0.5432372695497224,0.3721557809608663
EOS-2-20613,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccc(Cl)n6)cn5)n34)cc2)n[nH]1,OLAZLZKGLADNDC-UHFFFAOYSA-N,2,1,0.313,38,479,464.92,5.267,6,0.357,0.68,1.0,0.2464361592762662,0.33118017956274415,0.6735401960112398,0.6962768144746762,0.4868583373312316
EOS-2-20614,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)cc4)n23)nc1,LKHOHCWKPZJVIC-UHFFFAOYSA-N,2,1,0.333,38,787,464.92,4.969,6,0.342,0.69,1.0,0.1551812761291207,0.21453293125899528,0.667911726406689,0.6877527242820917,0.43134466451922415
EOS-2-20615,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)cc4)n23)nc1,UTGJGZBBPDGKDI-UHFFFAOYSA-N,2,1,0.321,38,787,464.92,4.969,6,0.342,0.74,1.0,0.1305856349804674,0.2656175039407854,0.7314697416215475,0.7448084435610993,0.46812033102597495
EOS-2-20616,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nc6)cc5)n34)cc2)n1,KDCKRZORBIGBOR-UHFFFAOYSA-N,2,1,0.338,9,98,464.92,4.969,6,0.342,0.79,1.0,0.16329415393050511,0.2709204304023028,0.695223082722226,0.7235624700157631,0.4632500342676993
EOS-2-20617,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)nc5)cc4)n23)cc1,ZUHTWDOTOKFHQB-UHFFFAOYSA-N,2,1,0.32,9,645,464.92,4.969,6,0.342,0.76,1.0,0.22734048385991365,0.2656260708656021,0.769883832499486,0.762970324172435,0.5064551778493591
EOS-2-20618,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(Cl)cc5)n4)n23)cc1,ZPWKBTXLIKJVEO-UHFFFAOYSA-N,2,1,0.35,3,289,464.92,5.063,6,0.362,0.73,1.0,0.03838839010348845,0.26563463779041874,0.5618446302515249,0.6385785758344185,0.37611155849496264
EOS-2-20619,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6)c5)n34)cc2)nn1,JQDNQLOOFVONIE-UHFFFAOYSA-N,2,1,0.367,3,668,464.92,5.063,6,0.362,0.76,1.0,0.02568364060037009,0.22491604413679667,0.6926530052772257,0.7344338976081146,0.4194216469056268
EOS-2-20620,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)nc1,LRODNCDSFCWISY-UHFFFAOYSA-N,2,1,0.346,32,301,464.92,4.969,6,0.366,0.76,1.0,0.08208827359331095,0.21454149818381194,0.6652388458638887,0.7210609279692961,0.42073238640257693
EOS-2-20621,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(-c6ccccn6)c5)n34)nc2)n1,QZEUSKBYRJKZAU-UHFFFAOYSA-N,2,1,0.325,32,572,464.92,4.969,6,0.366,0.69,1.0,0.1605784387636214,0.35079843739291344,0.6706959769721061,0.7019052840792269,0.4709945343019669
EOS-2-20622,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccn(-c6ccc(Cl)cc6)n5)n34)cc2)nn1,PJLZSRLOPHRPSO-UHFFFAOYSA-N,2,1,0.35,3,641,464.92,5.063,6,0.362,0.7,1.0,0.03034404770063738,0.21455006510862862,0.6364454115550682,0.6877612912069083,0.3922752038928106
EOS-2-20623,Cn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,AVCSWHWBYJMYCO-UHFFFAOYSA-N,2,1,0.384,93,774,464.92,4.969,6,0.342,0.83,1.0,0.21338496333356177,0.2656432047152354,0.4521451579740936,0.6211534507573162,0.38808169419505173
EOS-2-20624,Cn1c(Cl)ccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,WINQYSDCXMNMEJ-UHFFFAOYSA-N,2,1,0.351,38,983,464.92,4.969,6,0.366,0.71,1.0,0.2215749434582962,0.31202453567267496,0.6897488177643754,0.6962853813994928,0.4799084195737099
EOS-2-20625,Cn1nc(-c2ccc(Cl)cc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,SQQOFGMIALLTCI-UHFFFAOYSA-N,2,1,0.338,30,737,464.92,4.969,6,0.366,0.81,0.999,0.1384672058118018,0.37964327325063396,0.39774518538825304,0.5721763415804263,0.3720080015077788
EOS-2-20626,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cc2)cc1Cl,AGWRLGCPQHEUMV-UHFFFAOYSA-N,2,1,0.333,32,787,464.92,4.969,6,0.366,0.71,1.0,0.17139846480707285,0.2918408608046056,0.607000890960181,0.6414827633472688,0.42793074497978206
EOS-2-20627,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccn(-c6ccc(Cl)cc6)n5)n34)cc2)n1,DUTFHGJRCCUPOJ-UHFFFAOYSA-N,2,1,0.35,3,783,464.92,5.063,6,0.362,0.69,1.0,0.03691487903502159,0.17826057158522376,0.642793502844219,0.6905969433212255,0.3871414741964224
EOS-2-20628,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c(Cl)c1,BXFYBPWEGSVVOQ-UHFFFAOYSA-N,2,1,0.346,9,867,464.92,4.969,6,0.366,0.65,1.0,0.17413988074840656,0.2502912754437667,0.7055547940511274,0.7130165855664451,0.46075063395243643
EOS-2-20629,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)c1,FQAASRMMRQOCFK-UHFFFAOYSA-N,2,1,0.351,9,98,464.92,4.969,6,0.342,0.76,1.0,0.1579483928449044,0.21455863203344527,0.689757384689192,0.7424525392365157,0.45117923720101427
EOS-2-20630,Cn1nc(-c2ccc(Cl)cc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,IXFAEXQXDBJMLY-UHFFFAOYSA-N,2,1,0.395,69,787,464.92,4.969,6,0.366,0.77,1.0,0.1605870056884381,0.4263672812007402,0.4413165650058255,0.5817370296758275,0.40250197039270785
EOS-2-20631,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)c(Cl)c5)n34)cc2)n[nH]1,ZGUBTPWQOJCCMS-UHFFFAOYSA-N,2,1,0.314,69,834,464.92,5.267,6,0.382,0.78,1.0,0.24351483791378248,0.3508070043177301,0.6514546638338702,0.6936553354807758,0.4848579603865396
EOS-2-20632,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)cn5)n34)nc2)cn1,LDYQPVWSZLPPHK-UHFFFAOYSA-N,2,1,0.338,32,714,464.92,4.969,6,0.366,0.79,1.0,0.07767630731272702,0.21961311767527927,0.7237081077376465,0.7603317113289014,0.44533231101363857
EOS-2-20633,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,OZZQPFVRBUYJDN-UHFFFAOYSA-N,2,1,0.389,93,774,464.92,4.969,6,0.342,0.76,1.0,0.1939808786238092,0.3557843876362141,0.44488040572955934,0.6181121924473991,0.40318946610924544
EOS-2-20634,Clc1cccc(Cn2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1,BXJAEFAGXKIFEM-UHFFFAOYSA-N,2,1,0.318,3,787,464.92,4.814,6,0.364,0.74,1.0,0.12200157631416626,0.26030601055445135,0.5386368309231718,0.6615208004934549,0.39561630457131103
EOS-2-20635,Cn1c(-c2ccccc2Cl)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,KQJMEWRWXYNBLZ-UHFFFAOYSA-N,2,1,0.4,30,220,464.92,4.969,6,0.366,0.81,1.0,0.11107874717291481,0.30169282434377354,0.37546261394010005,0.572184908505243,0.34010477349050783
EOS-2-20636,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)c1,DWEXWBXSLMIIGI-UHFFFAOYSA-N,2,1,0.364,93,228,464.92,4.969,6,0.366,0.81,1.0,0.20807346994722775,0.3120331025974916,0.6303286272359674,0.7577445000342677,0.4770449249537386
EOS-2-20637,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,OWKAIGYLXKYUEF-UHFFFAOYSA-N,2,1,0.394,93,689,464.92,4.969,6,0.342,0.77,1.0,0.21090055513672812,0.2864950997190049,0.3565040093208142,0.552660886848057,0.3516401377561511
EOS-2-20638,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(Cl)c1,IMUPAOGWNJGHFE-UHFFFAOYSA-N,2,1,0.38,93,228,464.92,4.969,6,0.366,0.83,1.0,0.2160407100267288,0.3701425536289494,0.6189089164553492,0.744817010485916,0.48747729764923586
EOS-2-20639,Cc1cc(Cl)ncc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,IRLVVBVVCISQTD-UHFFFAOYSA-N,2,1,0.299,3,150,464.92,5.063,6,0.339,0.67,1.0,0.01766499897196902,0.21456719895826193,0.6652474127887054,0.6906055102460421,0.3970212802412446
EOS-2-20640,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(Cl)cn6)cc5)n34)cc2)n[nH]1,ZTHVSPNOBJCYQU-UHFFFAOYSA-N,2,1,0.342,9,98,464.92,5.267,6,0.382,0.68,1.0,0.17997395654855733,0.32207353848262626,0.7213179357137962,0.7317010485915976,0.4887666198341444
EOS-2-20641,Cn1nccc1-c1ccc(Cl)c(-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)c1,GGXOIDMIEMIHIS-UHFFFAOYSA-N,2,1,0.338,9,50,464.92,4.969,6,0.366,0.62,1.0,0.16059557261325474,0.28103796861078745,0.7417586183263656,0.7629788910972517,0.48659276266191487
EOS-2-20642,Cn1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c(-c2cccc(Cl)c2)n1,OWFDOEIHHKQVGB-UHFFFAOYSA-N,2,1,0.358,9,171,464.92,4.969,6,0.366,0.72,1.0,0.07364985264889315,0.21962168460009596,0.6817473099856076,0.7603402782537181,0.4338397813720787
EOS-2-20643,Cn1cncc1-c1nc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cnc1Cl,APMLQYPSFAOWMT-UHFFFAOYSA-N,2,1,0.378,93,594,464.92,4.969,6,0.366,0.74,1.0,0.21898773216366252,0.3170961551641423,0.545284764580906,0.6414913302720855,0.4307149955451991
EOS-2-20644,Cc1c(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nnn1-c1ccc(Cl)cc1,YCCIHXXHIQWGSX-UHFFFAOYSA-N,2,1,0.343,30,298,464.92,5.063,6,0.362,0.73,0.999,0.006133918168734151,0.18238126242204097,0.429982523473374,0.5908865053800287,0.3023460523610445
EOS-2-20645,Cn1nncc1-c1cc(Cl)cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,IQFHAJHUZJCDEE-UHFFFAOYSA-N,2,1,0.321,69,152,464.92,4.969,6,0.366,0.7,1.0,0.10870570899869783,0.2145757658830786,0.6952316496470426,0.7500342676992666,0.4421368480570214
EOS-2-20646,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1cscn1,FTZVOFSWGWUGFB-UHFFFAOYSA-N,2,1,0.598,49,703,464.938,4.593,5,0.348,0.71,1.0,0.7148670413268453,0.672580700431773,0.4590158316770612,0.43422315125762456,0.5701716811733261
EOS-2-20647,COc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4csc(C)n4)c3)n12,LDFLIKLAIYKMCQ-UHFFFAOYSA-N,2,1,0.478,24,912,464.938,4.859,5,0.354,0.73,1.0,0.6538020012336372,0.5913062846960455,0.5520869028853402,0.47483894181344666,0.5680085326571174
EOS-2-20648,COc1ccc(Cl)cc1COc1cncc2nnc(-c3ccnc(-c4cnc(C)s4)c3)n12,OZPREPPVIUARQN-UHFFFAOYSA-N,2,1,0.489,97,183,464.938,4.859,5,0.354,0.72,1.0,0.6218816393667329,0.615045233363032,0.5909550407785621,0.49607634843396614,0.5809895654855732
EOS-2-20649,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nccs1,TYMHVNJNBKNYRO-UHFFFAOYSA-N,2,1,0.534,11,777,464.938,4.593,5,0.325,0.76,1.0,0.8264683709135768,0.7870690836817216,0.5452933315057227,0.4655609622369954,0.656097937084504
EOS-2-20650,COc1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1nccs1,REGLQXNFGKVZGC-UHFFFAOYSA-N,2,1,0.6,49,703,464.938,4.593,5,0.348,0.75,1.0,0.6275957782194503,0.6482506339524364,0.36397436776094855,0.36450551709958195,0.5010815742581044
EOS-2-20651,Cn1cc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5ccsc5)n34)c2)ncc1=O,VIEZSHOECRGPOP-UHFFFAOYSA-N,2,1,0.534,35,619,464.938,3.888,5,0.379,0.64,1.0,0.4881348091289151,0.5618274964018916,0.49358337331231583,0.5194811870331026,0.5157567164690563
EOS-2-20652,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)cc1=O,ADMCMVADIRVLCW-UHFFFAOYSA-N,2,1,0.512,15,438,464.938,3.888,5,0.379,0.67,1.0,0.49055924885203206,0.4573110136385443,0.4762267836337468,0.48983962716743196,0.4784841683229388
EOS-2-20653,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1ccsc1C,VAODGBBDHKVJDQ-UHFFFAOYSA-N,2,1,0.473,16,83,464.938,4.859,5,0.354,0.71,1.0,0.6360341991638682,0.6533907888424371,0.6007641696936468,0.48684120348159826,0.5942575902953875
EOS-2-20654,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cncs1,DOQPVGLRPHMZIX-UHFFFAOYSA-N,2,1,0.553,35,103,464.938,4.593,5,0.325,0.73,1.0,0.7999880063052567,0.7914810499623055,0.6273901720238503,0.5494482900418066,0.6920768795833048
EOS-2-20655,COc1cc(-c2nnc3cncc(OCc4ccc(-c5nnsc5C)cc4)n23)ccc1Cl,XODGKNYEEQYHPT-UHFFFAOYSA-N,2,1,0.58,43,909,464.938,4.859,5,0.354,0.76,1.0,0.6538105681584538,0.7829483928449044,0.597508738263313,0.5526694537728737,0.6467342882598862
EOS-2-20656,COc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,KVPLFCUNYTWHHE-UHFFFAOYSA-N,2,1,0.544,24,56,464.938,4.593,5,0.348,0.75,1.0,0.7830597628675211,0.8231529710095264,0.57532896991296,0.509260845726818,0.6727006373792064
EOS-2-20657,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ccncn1,ROGMVLMHPJBTJM-UHFFFAOYSA-N,2,1,0.527,15,777,464.938,4.593,5,0.348,0.66,1.0,0.912523130697005,0.8409550407785621,0.5721335069563429,0.5028870536632171,0.7071246830237818
EOS-2-20658,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1nccs1,AVGCADQOTNYHOD-UHFFFAOYSA-N,2,1,0.563,11,777,464.938,4.593,5,0.325,0.75,1.0,0.7569392091015009,0.7441145226509492,0.5419436639024056,0.4655695291618121,0.6271417312041669
EOS-2-20659,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)cc1=O,SEWSQHJSJQBZDJ-UHFFFAOYSA-N,2,1,0.528,15,470,464.938,3.888,5,0.379,0.71,1.0,0.5937649921184291,0.6150538002878487,0.4590243986018779,0.48409978754026456,0.537985744637105
EOS-2-20660,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cn1,UYBGYEWQPSOLCI-UHFFFAOYSA-N,2,1,0.479,87,173,464.938,4.593,5,0.348,0.72,1.0,0.7999965732300733,0.8306404632992941,0.5005482831882667,0.4342317181824412,0.6413542594750188
EOS-2-20661,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cscn1,ZRUAKULAOOYZRV-UHFFFAOYSA-N,2,1,0.534,11,729,464.938,4.593,5,0.325,0.72,1.0,0.8362175313549448,0.7784764580906038,0.6218473716674663,0.5462185593859228,0.6956899801247345
EOS-2-20662,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cccs1,BRGLYMJRDRFIRZ-UHFFFAOYSA-N,2,1,0.505,72,777,464.938,4.593,5,0.348,0.66,1.0,0.8054622712631074,0.826956685628127,0.4521537248989103,0.4309591529024741,0.6288829586731548
EOS-2-20663,COc1ccccc1CCOc1cncc2nnc(-c3nnc(-c4ccc(Cl)cc4)s3)n12,QJNIBIWQOVZGBQ-UHFFFAOYSA-N,2,1,0.534,19,691,464.938,4.593,5,0.348,0.76,1.0,0.6447895963265027,0.6482592008772531,0.344981495442396,0.39311047906243574,0.5077851929271469
EOS-2-20664,COc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5C)n34)cn2)cs1,FQBTXKWWEXCKAK-UHFFFAOYSA-N,2,1,0.506,24,109,464.938,4.859,5,0.354,0.75,1.0,0.7088444931807278,0.7347765746007813,0.5285364265643204,0.44978925364950995,0.6054866869988349
EOS-2-20665,COc1cc(-c2nnc3cncc(OCc4sc(Cl)nc4C)n23)ccc1-c1ccccn1,XJJUTABFCRXKHK-UHFFFAOYSA-N,2,1,0.462,97,61,464.938,4.859,5,0.354,0.65,1.0,0.7422726338153657,0.7253872250017134,0.36761531080803234,0.3165050373517922,0.5379450517442259
EOS-2-20666,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cc1=O,ORLZAVADXCCALS-UHFFFAOYSA-N,2,1,0.464,87,954,464.938,3.888,5,0.379,0.66,1.0,0.562332944966075,0.547889109725173,0.46973305462271264,0.4748475087382633,0.513700654513056
EOS-2-20667,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ccccn1,WLTZFPVMYUWPOA-UHFFFAOYSA-N,2,1,0.463,49,769,464.938,4.593,5,0.348,0.63,0.993,0.759929065862518,0.6383815365636352,0.3266397094099102,0.3134123774929751,0.5095906723322596
EOS-2-20668,COc1ncccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccn1,NSYHYNMBZVYMMF-UHFFFAOYSA-N,2,1,0.527,75,278,464.938,4.593,5,0.348,0.69,1.0,0.6845915290247413,0.707088273593311,0.42999109039819067,0.38047426495785075,0.5505362894935235
EOS-2-20669,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1nccs1,HUDDHXKUKKVKCF-UHFFFAOYSA-N,2,1,0.573,11,777,464.938,4.593,5,0.348,0.72,1.0,0.8408779384552121,0.7870776506065382,0.4834058666301145,0.4279350284421904,0.6348241210335138
EOS-2-20670,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1nccs1,KVWRJVKYCNIQON-UHFFFAOYSA-N,2,1,0.533,11,777,464.938,4.593,5,0.325,0.75,1.0,0.7859982180796381,0.782956959769721,0.45216229182372697,0.3993043657048866,0.6051054588444932
EOS-2-20671,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cc1=O,OTZTZSQWFAQIIW-UHFFFAOYSA-N,2,1,0.489,15,470,464.938,3.888,5,0.379,0.73,1.0,0.4681481735316291,0.4618857514906449,0.44132513193064216,0.47782023164964704,0.46229482215064077
EOS-2-20672,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cscn1,WEXTVMNERRGAFS-UHFFFAOYSA-N,2,1,0.534,11,777,464.938,4.593,5,0.325,0.74,1.0,0.852511822356247,0.787086217531355,0.609913645397848,0.5332482352134877,0.6956899801247344
EOS-2-20673,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)nc(C)n2)nc1,GCGVJFMJYPSIEL-UHFFFAOYSA-N,2,1,0.435,31,330,464.942,3.992,5,0.371,0.61,1.0,0.48814337605373176,0.4747961071893633,0.08817079021314508,0.11240662051949832,0.2908792234939346
EOS-2-20674,CNCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)s1,OOHJWMKGFUEAJG-UHFFFAOYSA-N,2,1,0.54,4,43,464.942,3.657,5,0.389,0.71,1.0,0.3588170790213145,0.35081557124254675,0.23926564320471524,0.24410595572613256,0.29825106229867726
EOS-2-20675,CNCc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cs1,WDJWLZYYMBIHBB-UHFFFAOYSA-N,2,1,0.457,55,283,464.942,3.657,5,0.389,0.73,1.0,0.42645295044890685,0.3938129668974025,0.26069152217120145,0.26807621136316906,0.33725841272017
EOS-2-20676,CN=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)s1,IFYRQUPCMNWKHU-UHFFFAOYSA-N,2,1,0.511,15,619,464.942,3.443,5,0.412,0.55,0.998,0.5907751353574121,0.439731683914742,0.24267527928174903,0.2497087245562333,0.3807227057775341
EOS-2-20677,Cc1cc(F)ccc1-c1cccc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)c1,KOFZRHMVEHRIFW-UHFFFAOYSA-N,2,1,0.598,91,660,464.953,6.242,5,0.298,0.69,1.0,0.8914484956480022,0.9093362346652045,0.914690562675622,0.9231118497704064,0.9096467856898088
EOS-2-20678,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)cs2)cs1,XMFYNDQFYFTSQA-UHFFFAOYSA-N,2,1,0.529,24,214,464.963,5.389,5,0.346,0.71,0.998,0.7630816941950518,0.8341272016996779,0.7289167980261805,0.7156637653347955,0.7604473648139265
EOS-2-20679,Clc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)cc2)c1,IPYBWEVBFNEKRG-UHFFFAOYSA-N,2,1,0.417,21,695,464.981,7.507,6,0.271,0.75,1.0,0.27824515112055376,0.5107514906449181,0.9448547049551093,0.9667774655609622,0.6751572030703858
EOS-2-20680,CCn1cncc1-c1sc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1C,WQDIZTKIPJGTCX-UHFFFAOYSA-N,2,1,0.489,31,864,464.982,5.32,5,0.326,0.57,0.999,0.39529504489068606,0.2656517716400521,0.3938643684463025,0.4246110616133233,0.36985556164759104
EOS-2-20681,CCc1nc(C)c(-c2ccc(-c3cncc4nnc(-c5ccccc5Cl)n34)s2)n1C,BNXPWVHERZHHOE-UHFFFAOYSA-N,2,1,0.425,22,140,434.956,5.445,5,0.377,0.74,0.653,0.1768984305393736,0.28650366664382154,0.18658762250702488,0.30073332876430675,0.2376807621136317
EOS-2-20682,Clc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cncs5)n34)c2)c1,WVJBLCQCBUIPLP-UHFFFAOYSA-N,2,1,0.583,35,884,434.912,4.585,5,0.389,0.76,1.0,0.6331128778013844,0.7870947844561716,0.5721420738811597,0.6644249880063052,0.6641936810362552
EOS-2-20683,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cscn5)n34)c2)cc1,AYDSNBVYGLCXQR-UHFFFAOYSA-N,2,1,0.553,11,503,434.912,4.585,5,0.389,0.84,0.999,0.6246316222328833,0.7207610856007127,0.5078987046809678,0.6059385922829141,0.6148075011993694
EOS-2-20684,Clc1ccccc1CCOc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,HHLFJBOYZUCVSG-UHFFFAOYSA-N,2,1,0.684,84,73,434.912,4.585,5,0.389,0.8,1.0,0.6508378452470701,0.7207696525255294,0.5618531971763416,0.6238348982249332,0.6393238982934686
EOS-2-20685,Clc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ccsn5)c4)n23)c1,RHZZNEDGIDPDDE-UHFFFAOYSA-N,2,1,0.595,84,73,434.912,4.585,5,0.389,0.68,1.0,0.5937735590432458,0.702342197244877,0.6246915907066,0.6821842231512576,0.6507478925364951
EOS-2-20686,Clc1ccc(CCOc2cncc3nnc(-c4cccnc4-c4cccnc4)n23)s1,DCSDTMYOGLXDGC-UHFFFAOYSA-N,2,1,0.529,87,173,434.912,4.585,5,0.389,0.71,0.998,0.8289099444863272,0.8191350832705092,0.44133369885545887,0.5092694126516346,0.6496620348159825
EOS-2-20687,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)s1,PRNUWOFUZRVTBO-UHFFFAOYSA-N,2,1,0.517,15,215,434.912,4.585,5,0.389,0.73,1.0,0.8106795284764581,0.8443561099307793,0.6099222123226646,0.6528767733534371,0.7294586560208347
EOS-2-20688,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)cn1,GMVYYFMQAMSFND-UHFFFAOYSA-N,2,1,0.59,75,496,434.912,4.585,5,0.364,0.73,1.0,0.7659087793845522,0.7441230895757659,0.6038653964772805,0.6238434651497499,0.6844351826468371
EOS-2-20689,Clc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)n1,BZIKKXREWFQNTQ-UHFFFAOYSA-N,2,1,0.506,87,173,434.912,4.585,5,0.364,0.74,1.0,0.6023661846343636,0.6823641285724077,0.5453018984305393,0.6059471592077308,0.6089948427112604
EOS-2-20690,Cc1cccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)n1,JVSZVQXENNERTF-UHFFFAOYSA-N,2,1,0.477,4,464,434.912,4.851,5,0.393,0.68,1.0,0.5681670207662257,0.6429905421150024,0.5909636077033787,0.584795421835378,0.5967291481049962
EOS-2-20691,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)cn1,UZFKMSLOGFSGFX-UHFFFAOYSA-N,2,1,0.476,18,840,434.912,4.585,5,0.364,0.75,1.0,0.5965835103831129,0.5959923925707628,0.5846926187375779,0.6267133849633335,0.6009954766636967
EOS-2-20692,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)cc1,HRPBHAZJUXFEGO-UHFFFAOYSA-N,2,1,0.662,84,73,434.912,4.585,5,0.389,0.69,1.0,0.7242735247755465,0.7829655266945378,0.6514632307586868,0.6906140771708588,0.7123290898499075
EOS-2-20693,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4ccccn4)s3)n12,PEMZMSYWFBKNHG-UHFFFAOYSA-N,2,1,0.518,24,805,434.912,4.851,5,0.393,0.74,1.0,0.6508464121718868,0.7572390514700843,0.4299996573230073,0.4841083544650812,0.5805483688575149
EOS-2-20694,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)ccn1,TZLXZUBVOMBHMD-UHFFFAOYSA-N,2,1,0.61,35,352,434.912,4.585,5,0.364,0.71,1.0,0.8567695839901309,0.9189311904598725,0.6541532451511205,0.667217805496539,0.7742679562744157
EOS-2-20695,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)c1,MKDSAEOHLJBIAN-UHFFFAOYSA-N,2,1,0.605,11,922,434.912,4.585,5,0.389,0.64,1.0,0.8132581728462751,0.8659190596943321,0.6159276266191488,0.6644335549311219,0.7398846035227195
EOS-2-20696,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)cn1,JABJDOBZKNWOFC-UHFFFAOYSA-N,2,1,0.568,11,201,434.912,4.585,5,0.364,0.76,1.0,0.80000514015489,0.8231615379343431,0.545310465355356,0.5690922486464258,0.6843923480227536
EOS-2-20697,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cs1,PWAHNYGFXVMJTD-UHFFFAOYSA-N,2,1,0.578,1,992,434.912,4.851,5,0.368,0.79,1.0,0.6302772256870673,0.5913148516208622,0.6159361935439654,0.5940048660132958,0.6078832842162977
EOS-2-20698,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)s1,LUTNOWUMGKTGIX-UHFFFAOYSA-N,2,1,0.535,58,56,434.912,4.585,5,0.389,0.8,1.0,0.8237869234459598,0.8853060105544514,0.4521708587485436,0.5028956205880337,0.6660398533342471
EOS-2-20699,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)ccn1,ZJRWELCMBXZKED-UHFFFAOYSA-N,2,1,0.59,75,496,434.912,4.585,5,0.364,0.71,1.0,0.7453138921252828,0.7528956205880337,0.6159447604687821,0.6385871427592351,0.6881853539853333
EOS-2-20700,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)s1,PADIIECBEZDLJF-UHFFFAOYSA-N,2,1,0.56,15,922,434.912,4.585,5,0.389,0.74,1.0,0.9423445959838257,0.9311733260228908,0.6273987389486669,0.6584795421835378,0.7898490507847303
EOS-2-20701,Clc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c1,XNDHBMRDQIAOND-UHFFFAOYSA-N,2,1,0.557,11,275,434.912,4.585,5,0.389,0.74,1.0,0.7180025358097457,0.7784850250154205,0.48708107737646494,0.5394421218559385,0.6307526900143924
EOS-2-20702,Clc1ncccc1-c1cc(-c2nnc3cncc(OCCc4cccs4)n23)ccn1,GPSZHVMKUKWXSP-UHFFFAOYSA-N,2,1,0.634,75,278,434.912,4.585,5,0.364,0.77,1.0,0.8590569529161812,0.8659276266191488,0.5112141045850181,0.5592317181824412,0.6988576005756973
EOS-2-20703,Cc1nc(-c2ccncc2)c(COc2cncc3nnc(-c4ccccc4Cl)n23)s1,VLMZWLQJMGGPTP-UHFFFAOYSA-N,2,1,0.53,97,666,434.912,4.851,5,0.393,0.76,1.0,0.5681755876910424,0.642999109039819,0.3902319923240354,0.47485607566307997,0.5190656911794942
EOS-2-20704,Clc1sccc1CCOc1cncc2nnc(-c3cccnc3-c3ccccn3)n12,IGJSQUATGVKQSV-UHFFFAOYSA-N,2,1,0.512,58,747,434.912,4.585,5,0.389,0.49,0.956,0.714875608251662,0.7914896168871222,0.41530738126242206,0.4868497704064149,0.6021305942019053
EOS-2-20705,Clc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)c1,JWIVRJWRZBRLLO-UHFFFAOYSA-N,2,1,0.444,18,840,434.912,4.585,5,0.389,0.8,1.0,0.6360427660886848,0.6337125625385511,0.5878024124460284,0.6414998971969021,0.6247644095675416
EOS-2-20706,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)s1,RFAROBMOINXSPY-UHFFFAOYSA-N,2,1,0.558,75,496,434.912,4.585,5,0.389,0.78,1.0,0.8106880954012747,0.8409636077033787,0.535098690973888,0.5784387636214104,0.6912972894249879
EOS-2-20707,Clc1cc(-c2cncnc2)ccc1-c1nnc2cncc(OCCc3cccs3)n12,ROHKQMSQUYDTQA-UHFFFAOYSA-N,2,1,0.595,87,215,434.912,4.585,5,0.389,0.74,0.999,0.8679922554999657,0.9208501816188062,0.6274073058734837,0.6730090466726064,0.7723146974162156
EOS-2-20708,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)ccn1,VGMSMMGFNZTEKL-UHFFFAOYSA-N,2,1,0.61,35,352,434.912,4.585,5,0.364,0.62,1.0,0.8054708381879241,0.8718645055170996,0.6842145843328079,0.7044753615242273,0.7665063223905147
EOS-2-20709,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5)c4)n23)n1,AURWCBKGJIQWMS-UHFFFAOYSA-N,2,1,0.568,4,92,434.912,4.851,5,0.393,0.84,1.0,0.5849581934068947,0.7023507641696937,0.48005619902679736,0.5394506887807553,0.5767039613460352
EOS-2-20710,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)n1,HZHNCGZWKVMSLN-UHFFFAOYSA-N,2,1,0.578,11,922,434.912,4.585,5,0.364,0.71,1.0,0.8702539236515661,0.8907031731889521,0.5419522308272222,0.5848039887601947,0.7219283291069838
EOS-2-20711,Cc1csc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,NZVYDBOWMXNHOQ-UHFFFAOYSA-N,2,1,0.612,1,232,434.912,4.851,5,0.393,0.7,1.0,0.9180059625796724,0.913217051607155,0.4114608320197382,0.4719004866013296,0.6786460832019738
EOS-2-20712,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)s1,ZMUFLBFMVTVJEH-UHFFFAOYSA-N,2,1,0.495,87,173,434.912,4.585,5,0.389,0.73,1.0,0.7716314851620862,0.7658488109108355,0.5079072716057844,0.5657682818175588,0.6527889623740663
EOS-2-20713,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)s1,VBCTTYCOVZOMOS-UHFFFAOYSA-N,2,1,0.489,97,655,434.912,4.851,5,0.368,0.79,1.0,0.6663268453156055,0.6383901034884518,0.6364539784798848,0.6181207593722158,0.6398229216640394
EOS-2-20714,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cs1,CWYJJNFSJBZQEO-UHFFFAOYSA-N,2,1,0.595,4,850,434.912,4.851,5,0.393,0.76,1.0,0.7025649372901104,0.8746316222328833,0.5847011856623946,0.5908950723048455,0.6881982043725584
EOS-2-20715,Clc1ccc(CCOc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)s1,ASQZFEAROBNNPG-UHFFFAOYSA-N,2,1,0.523,58,747,434.912,4.585,5,0.389,0.69,0.964,0.7971352203413062,0.815399904050442,0.367623877732849,0.4468336645877596,0.6067481666780893
EOS-2-20716,Clc1sccc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,HISDXKJRXISMSK-UHFFFAOYSA-N,2,1,0.571,75,583,434.912,4.585,5,0.389,0.67,1.0,0.7483637173600165,0.7300561990267973,0.5112226715098348,0.5561647590980742,0.6364518367486807
EOS-2-20717,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)s1,UCMFVHCAKSFCHJ-UHFFFAOYSA-N,2,1,0.541,87,173,434.912,4.585,5,0.389,0.73,1.0,0.7483722842848332,0.8306490302241107,0.5782331574258104,0.6296347063258173,0.6967222945651429
EOS-2-20718,Clc1cscc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,VBIQTUZWPWNRDI-UHFFFAOYSA-N,2,1,0.58,75,583,434.912,4.585,5,0.389,0.61,1.0,0.7391200054828319,0.7207782194503461,0.5215458159139196,0.5721934754300596,0.6384093790692893
EOS-2-20719,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)s1,QQUHLILCIQLZKN-UHFFFAOYSA-N,2,1,0.467,18,367,434.912,4.585,5,0.389,0.79,1.0,0.702573504214927,0.7347851415255979,0.5316376533479542,0.5848125556850113,0.6384522136933726
EOS-2-20720,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncs5)n34)c2)cn1,ATPHYRIZESYYHB-UHFFFAOYSA-N,2,1,0.55,35,111,434.912,4.585,5,0.364,0.79,1.0,0.7058289356452607,0.7700551709958193,0.5753375368377767,0.6326159961620177,0.6709594099102186
EOS-2-20721,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5nccs5)n34)c2)cc1,ZMSNJGKKSNNDAQ-UHFFFAOYSA-N,2,1,0.602,11,137,434.912,4.585,5,0.389,0.76,1.0,0.6694280720992393,0.8113905832362415,0.49702727708861627,0.6059557261325474,0.645950414639161
EOS-2-20722,Clc1nccc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)n1,KHRRFICSOBRNKY-UHFFFAOYSA-N,2,1,0.537,35,438,434.912,4.585,5,0.364,0.79,1.0,0.7943681036255226,0.7914981838119388,0.5520954698101569,0.5657768487423754,0.6759346514974984
EOS-2-20723,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)cn2)cn1,ZGOHMCUWELYYJQ-UHFFFAOYSA-N,2,1,0.542,55,879,434.912,4.851,5,0.393,0.77,1.0,0.7212151326159961,0.7395055170995819,0.665255979713522,0.629643273250634,0.6889049756699335
EOS-2-20724,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cn1,XLPAIWGYAQXETL-UHFFFAOYSA-N,2,1,0.61,35,111,434.912,4.585,5,0.364,0.74,1.0,0.8967171544102529,0.9189397573846891,0.6397608114591187,0.6528853402782537,0.7770757658830787
EOS-2-20725,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4)n23)ccc1Cl,ZXVCNFIZPKDFFK-UHFFFAOYSA-N,2,1,0.603,43,909,434.912,4.851,5,0.393,0.82,1.0,0.6875985196353916,0.770063737920636,0.7605287505996847,0.7680419436639024,0.7465582379549037
EOS-2-20726,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)nc1,LXQOOFWNDNCGIM-UHFFFAOYSA-N,2,1,0.558,65,981,434.912,4.585,5,0.389,0.72,1.0,0.8336303200603111,0.8958004934548695,0.5386453978479885,0.5817455966006443,0.7124554519909533
EOS-2-20727,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)s1,UZONTPMVFRCIAY-UHFFFAOYSA-N,2,1,0.529,87,173,434.912,4.585,5,0.389,0.8,1.0,0.8659190596943321,0.8932732506339525,0.52498971969022,0.5691008155712426,0.7133207113974368
EOS-2-20728,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)s1,IFUJAFSGTUQIEY-UHFFFAOYSA-N,2,1,0.529,15,846,434.912,4.585,5,0.389,0.8,1.0,0.8547392228085806,0.8541052703721472,0.5453190322801728,0.5877510108971283,0.7104786340895073
EOS-2-20729,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cs1,DJQABBUTALATBD-UHFFFAOYSA-N,2,1,0.523,55,939,434.912,4.851,5,0.393,0.7,1.0,0.7058375025700775,0.6578969912960044,0.6735487629360565,0.6584881091083544,0.6739428414776232
EOS-2-20730,Cc1cscc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cn1,JLXOHAAIOZVSAT-UHFFFAOYSA-N,2,1,0.448,46,62,434.912,4.851,5,0.393,0.64,1.0,0.6876070865602083,0.6873757795901583,0.587810979370845,0.584821122609828,0.6369037420327599
EOS-2-20731,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)c5)s4)n23)cn1,AOLGJIXIVFKGSP-UHFFFAOYSA-N,2,1,0.568,4,92,434.912,4.851,5,0.393,0.81,1.0,0.5207490919059694,0.7529041875128504,0.5112312384346515,0.5561733260228908,0.5852644609690905
EOS-2-20732,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)ccn1,YHWTUTJOWUJOHI-UHFFFAOYSA-N,2,1,0.476,18,840,434.912,4.585,5,0.364,0.77,1.0,0.5993848947981633,0.6150623672126654,0.5975173051881296,0.6415084641217189,0.6133682578301692
EOS-2-20733,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)s1,FYAFLULGUWBOOG-UHFFFAOYSA-N,2,1,0.565,72,889,434.912,4.585,5,0.389,0.79,1.0,0.9443835240901925,0.9344458913028579,0.5521040367349737,0.5998132410389967,0.7576866732917553
EOS-2-20734,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cs1,WDSDZDIVLWEYMH-UHFFFAOYSA-N,2,1,0.535,97,666,434.912,4.851,5,0.393,0.81,1.0,0.5993934617229799,0.6006013981221301,0.6099307792474813,0.6090826536906312,0.6047520731958056
EOS-2-20735,Oc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccccc1,REECQOFFGMKDLT-UHFFFAOYSA-N,2,1,0.53,1,347,434.908,5.458,5,0.397,0.67,1.0,0.8454698101569461,0.8571722294565143,0.8295010622986773,0.8489565485573298,0.8452749126173669
EOS-2-20736,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccnn5C)nn4C)n23)ccc1Cl,YEUJFTVIURYEHO-UHFFFAOYSA-N,2,1,0.477,36,404,434.891,3.466,5,0.421,0.66,1.0,0.3632975807004318,0.6383986704132685,0.3676324446576657,0.3416489616887122,0.42774441436501953
EOS-2-20737,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)c2)c1,ZWXHQKYUZBKAKW-UHFFFAOYSA-N,2,1,0.489,15,460,434.891,3.2,5,0.408,0.69,1.0,0.4495408128298266,0.5293331505722706,0.2462476869302995,0.2707919265300528,0.3739783942156124
EOS-2-20738,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccn(C)c5Cl)n34)ccn2)c1,NNBPZUAVXVQKTH-UHFFFAOYSA-N,2,1,0.524,75,276,434.891,3.2,5,0.408,0.67,1.0,0.647873689260503,0.6197313412377493,0.4264615173737235,0.39025769309848535,0.5210810602426154
EOS-2-20739,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)nn4C)n23)cn1,LZWHTGLKOGMBTL-UHFFFAOYSA-N,2,1,0.536,95,835,434.891,3.2,5,0.408,0.78,1.0,0.4080254951682544,0.5293417174970872,0.28298266054417104,0.3287557398396272,0.38727640326228496
EOS-2-20740,CCCn1nc(-c2cnn(C)c2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,PQKASZZADHVJIU-UHFFFAOYSA-N,2,1,0.482,36,706,434.891,4.244,5,0.397,0.77,1.0,0.47339969844424645,0.615070934137482,0.2109605236104448,0.25284421903913373,0.38806884380782675
EOS-2-20741,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5nccn5C)c4)n23)n1,MCCLQBRSJAXTRU-UHFFFAOYSA-N,2,1,0.506,15,931,434.891,3.2,5,0.408,0.69,1.0,0.42174114179973954,0.5066650675073675,0.19670516071550956,0.22328832842162977,0.3370999246110616
EOS-2-20742,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)n(C)n4)n23)cn1,TXCOVNHNWVYDTG-UHFFFAOYSA-N,2,1,0.536,95,835,434.891,3.2,5,0.408,0.77,1.0,0.41700363237612226,0.5066736344321843,0.2974350627098897,0.3416575286135289,0.39069246453293127
EOS-2-20743,CCn1cncc1-c1ccc(Cl)c(-c2nnc3cncc(OCCc4ccoc4)n23)c1,XFTPNEUHJXICJM-UHFFFAOYSA-N,2,1,0.522,26,619,434.887,4.543,5,0.374,0.75,1.0,0.513047426495785,0.5708227674593928,0.5909721746281955,0.5722020423548763,0.5617611027345624
EOS-2-20744,CCCn1cc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ccc(F)nc5)c4)n23)nn1,HZMDGEAKBKIPQL-UHFFFAOYSA-N,2,1,0.329,22,844,434.866,4.314,5,0.383,0.71,0.999,0.2109091220615448,0.34613803029264617,0.4483671441299431,0.5967462819546295,0.4005401446096909
EOS-2-20745,Cn1ccnc1-c1cccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)c1,FBIKGABXHGECBJ-UHFFFAOYSA-N,2,1,0.557,43,671,434.862,4.563,5,0.405,0.72,1.0,0.7540607223631005,0.7347937084504146,0.8109622369954081,0.8236070180248098,0.7808559214584332
EOS-2-20746,Cn1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)n1,TUOGJLSCLQPROC-UHFFFAOYSA-N,2,1,0.529,43,178,434.862,4.563,5,0.405,0.76,1.0,0.6633626893290384,0.7611798368857515,0.8805856349804674,0.8720615447878829,0.794297426495785
EOS-2-20747,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cc2)cn1,XOPJBTFMBQPEHI-UHFFFAOYSA-N,2,1,0.59,43,623,434.862,4.563,5,0.405,0.75,1.0,0.7716400520869029,0.8231701048591598,0.9118977451853882,0.9044702213693373,0.8527945308751971
EOS-2-20748,Cn1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1-c1cccc(Cl)c1,HNEHXURHRHJOKH-UHFFFAOYSA-N,2,1,0.53,43,266,434.862,4.563,5,0.405,0.83,1.0,0.5181104790624358,0.5708313343842094,0.7939997258584058,0.8506356658213967,0.6833943012816119
EOS-2-20749,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)cc1F,YWDSXGJFDZAZLE-UHFFFAOYSA-N,2,1,0.6,43,521,434.862,4.563,5,0.405,0.74,1.0,0.8984733739976698,0.8231786717839764,0.8960232335001028,0.8970940991021863,0.8786923445959838
EOS-2-20750,Fc1cccc(Cl)c1-c1nnc2cncc(OCCc3ccc(-n4ccnc4)cc3)n12,JJTUGLAQCVFFCI-UHFFFAOYSA-N,2,1,0.612,88,671,434.862,4.391,5,0.396,0.76,1.0,0.7148841751764786,0.6482677678020697,0.8491707216777465,0.8607532040298814,0.768268967171544
EOS-2-20751,Cn1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)n1,CGRNTKCICMXKKZ-UHFFFAOYSA-N,2,1,0.684,43,11,434.862,4.563,5,0.405,0.81,1.0,0.7914639161126722,0.8154084709752587,0.8878503872250018,0.8777071482420671,0.84310748063875
EOS-2-20752,Cn1nccc1-c1cccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)c1,URCCMDCOJQIVCE-UHFFFAOYSA-N,2,1,0.55,43,671,434.862,4.563,5,0.405,0.71,1.0,0.6601158248235214,0.7484750873826331,0.8509440751147967,0.857412103351381,0.779236772668083
EOS-2-20753,CCn1cncc1-c1cccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,RXHDLNQLPIMNAL-UHFFFAOYSA-N,2,1,0.462,13,145,434.862,5.26,5,0.377,0.69,1.0,0.5965920773079295,0.6482763347268864,0.8554502775683641,0.8556558837639641,0.7389936433417861
EOS-2-20754,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1,KZBDWCPHCNLUGB-UHFFFAOYSA-N,2,1,0.561,43,178,434.862,4.563,5,0.405,0.77,1.0,0.918014529504489,0.8154170379000754,0.9061150709341375,0.8957405249811528,0.8838217908299637
EOS-2-20755,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)ccc1Cl,SGDZBHWVJCBDJD-UHFFFAOYSA-N,2,1,0.727,91,273,434.862,4.595,5,0.422,0.73,1.0,0.9752244534301967,0.9692618737577959,0.8900006853539854,0.8942241792886025,0.9321777979576451
EOS-2-20756,COc1ccc(Cl)cc1-c1nnc2cncc(-c3nn(C)cc3-c3ccc(F)cc3)n12,UFADGARFHDAKIL-UHFFFAOYSA-N,2,1,0.395,45,46,434.862,4.66,5,0.411,0.81,0.961,0.2729593585086697,0.48811767527928174,0.8109708039202248,0.8274535672674936,0.5998753512439174
EOS-2-20757,Cn1nc(-c2ccc(F)cc2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,OXVNRAOXMPAVBW-UHFFFAOYSA-N,2,1,0.6,34,372,434.862,4.563,5,0.405,0.79,1.0,0.8000137070797066,0.9227606058529231,0.8008446987869234,0.8396014666575287,0.8408051195942705
EOS-2-20758,Cn1nc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1-c1ccccc1,AQIWRIFKEPWWKB-UHFFFAOYSA-N,2,1,0.459,19,266,434.862,4.563,5,0.405,0.82,1.0,0.4905678157768487,0.5383455554794051,0.7605373175245014,0.8216708930162429,0.6527803954492495
EOS-2-20759,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cn1,DCYKFYMYRBNAIH-UHFFFAOYSA-N,2,1,0.708,43,623,434.862,4.563,5,0.405,0.73,1.0,0.8951665410184361,0.9328610102117744,0.912754437667055,0.9112980604482215,0.9130200123363718
EOS-2-20760,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)cc1,GSFTYWKUCLVNCI-UHFFFAOYSA-N,2,1,0.582,43,178,434.862,4.563,5,0.405,0.72,1.0,0.7914724830374888,0.7951905284079227,0.892433692001919,0.8888698512781852,0.8419916386813788
EOS-2-20761,Cn1nccc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)cc4Cl)n23)c1,OIHGXPJJHGTREK-UHFFFAOYSA-N,2,1,0.536,43,521,434.862,4.563,5,0.405,0.71,1.0,0.6023747515591803,0.6628486738400384,0.8855801521485848,0.8832756493729012,0.7585198067301762
EOS-2-20762,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)cn1,CXVHCMBVMFUSAN-UHFFFAOYSA-N,2,1,0.768,43,96,434.862,4.563,5,0.405,0.82,1.0,0.8567781509149476,0.8718730724419163,0.9214327325063395,0.9077856212733877,0.8894673942841478
EOS-2-20763,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1-c1ccccc1,IMVHVGGVJJTZQP-UHFFFAOYSA-N,2,1,0.615,43,570,434.862,4.563,5,0.405,0.84,1.0,0.6360513330135015,0.6053303406209307,0.8027122883969571,0.8396100335823453,0.7209259989034337
EOS-2-20764,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1,UQPKUMJSKKWSBC-UHFFFAOYSA-N,2,1,0.55,43,521,434.862,4.563,5,0.405,0.78,1.0,0.8984819409224865,0.807715372489891,0.8911914879035021,0.8888784182030018,0.8715668048797203
EOS-2-20765,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1-c1ccccc1,BSHHJJKVNSHPPU-UHFFFAOYSA-N,2,1,0.615,43,570,434.862,4.563,5,0.405,0.81,1.0,0.6360598999383181,0.6053389075457474,0.8027208553217737,0.839618600507162,0.7209345658282503
EOS-2-20766,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)cn1,VKCSPGFIRZCAMR-UHFFFAOYSA-N,2,1,0.573,43,623,434.862,4.563,5,0.405,0.81,1.0,0.7332687958330477,0.885314577479268,0.8983620039750532,0.8957490919059694,0.8531736172983346
EOS-2-20767,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)n1,YHMPLSFFIOFKJL-UHFFFAOYSA-N,2,1,0.557,13,15,434.862,5.085,5,0.394,0.78,1.0,0.6816445068878075,0.8510040435885134,0.7962785278596395,0.8005277225687067,0.7823637002261669
EOS-2-20768,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)ccc1Cl,QOFYADNBYCKYIQ-UHFFFAOYSA-N,2,1,0.737,91,781,434.862,4.595,5,0.422,0.69,1.0,0.9741364539784799,0.9670259063806456,0.9137053663217052,0.9156843259543554,0.9426380131587966
EOS-2-20769,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)cn1,JOXCCAWNPVEJIC-UHFFFAOYSA-N,2,1,0.768,43,96,434.862,4.563,5,0.405,0.8,1.0,0.8637601946405319,0.8718816393667329,0.9214412994311562,0.9077941881982043,0.8912193304091562
EOS-2-20770,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1,LOLVCAJUVLLMHX-UHFFFAOYSA-N,2,1,0.736,43,96,434.862,4.563,5,0.405,0.74,1.0,0.9532245905009937,0.8690631211020492,0.9127630045918717,0.9009749160441368,0.9090064080597628
EOS-2-20771,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccnn3-c3cccc(F)c3)n12,DXMRPEWYVOSVQI-UHFFFAOYSA-N,2,1,0.477,34,612,434.862,4.657,5,0.402,0.76,1.0,0.4519738194777603,0.6774981152765404,0.7962870947844561,0.8274621341923103,0.6883052909327668
EOS-2-20772,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)cc1Cl,SEWXQNAFIQRINA-UHFFFAOYSA-N,2,1,0.737,91,781,434.862,4.595,5,0.422,0.68,1.0,0.9732711945719964,0.9677797957645123,0.9137139332465218,0.9167466246316223,0.9428778870536633
EOS-2-20773,Cn1cnc(-c2cccc(F)c2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,GNGHJPDCYKQXCG-UHFFFAOYSA-N,2,1,0.549,34,372,434.862,4.563,5,0.405,0.73,1.0,0.8479542183537797,0.902542663285587,0.7580614762524844,0.8157597148927421,0.8310795181961483
EOS-2-20774,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)cc1,PQFRNKHVSJPARB-UHFFFAOYSA-N,2,1,0.568,43,521,434.862,4.563,5,0.405,0.73,1.0,0.8914570625728189,0.8269652525529436,0.9029453087519704,0.8984305393735864,0.8799495408128298
EOS-2-20775,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)cn1,PLNIEUKIPSOIJJ-UHFFFAOYSA-N,2,1,0.542,43,623,434.862,4.563,5,0.405,0.77,1.0,0.6447981632513193,0.6971249400315263,0.9090535261462546,0.9009834829689535,0.7879900280995134
EOS-2-20776,Cn1nc(-c2ccc(Cl)cc2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,PMLTVVMUUHRINP-UHFFFAOYSA-N,2,1,0.6,34,372,434.862,4.563,5,0.405,0.77,1.0,0.8000222740045233,0.9189483243095059,0.8008532657117401,0.8396271674319786,0.839862757864437
EOS-2-20777,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)n1,RIOUQOCRJPXJDP-UHFFFAOYSA-N,2,1,0.722,43,372,434.862,4.563,5,0.405,0.78,1.0,0.9452316496470426,0.9486841203481599,0.8842694126516346,0.8847405935165513,0.915731444040847
EOS-2-20778,CCn1cc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)c2)cn1,VYASSRXVVDWFTI-UHFFFAOYSA-N,2,1,0.494,13,145,434.862,5.26,5,0.377,0.73,1.0,0.4170121993009389,0.5478976766499897,0.847354533616613,0.8540538688232472,0.6665795695976972
EOS-2-20779,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cn1,CPUVMYXUGIRTMC-UHFFFAOYSA-N,2,1,0.703,43,623,434.862,4.563,5,0.405,0.84,1.0,0.7242820917003633,0.7484836543074498,0.9146991296004386,0.9056781577684874,0.8232857583441848
EOS-2-20780,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cc2)cn1,AIPPPQMXBVESQB-UHFFFAOYSA-N,2,1,0.582,43,178,434.862,4.563,5,0.405,0.8,1.0,0.777414159413337,0.8231872387087931,0.9147076965252553,0.9031766157220205,0.8546214275923514
EOS-2-20781,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,NDYFBIYIJKLBID-UHFFFAOYSA-N,2,1,0.61,91,273,434.862,4.595,5,0.422,0.67,1.0,0.9665889932149956,0.9670344733054622,0.8778784867384004,0.8888869851278185,0.9250972345966693
EOS-2-20782,Fc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cc[nH]n1,ZXSDOENPPXVRCA-UHFFFAOYSA-N,2,1,0.679,91,273,434.862,4.595,5,0.422,0.65,1.0,0.9686193543965458,0.9568655335480776,0.8700311836063327,0.892922006716469,0.9221095195668563
EOS-2-20783,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2cccc(F)c2)n1,NDXPDXBITQXIBH-UHFFFAOYSA-N,2,1,0.615,43,372,434.862,4.563,5,0.405,0.79,1.0,0.7116544445205949,0.8907117401137687,0.7962956617092728,0.8416061270646289,0.8100669933520663
EOS-2-20784,Cn1cc(COc2cncc3nnc(-c4ccc(F)cc4)n23)c(-c2ccccc2Cl)n1,CYQBQVQQXOMCHV-UHFFFAOYSA-N,2,1,0.623,43,372,434.862,4.563,5,0.405,0.77,1.0,0.6964567198958262,0.8113991501610582,0.7836594476046879,0.8376139401000616,0.7822823144404084
EOS-2-20785,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cc2)cn1,LJARQLOUQLKXSJ-UHFFFAOYSA-N,2,1,0.571,43,623,434.862,4.563,5,0.405,0.81,1.0,0.7630902611198684,0.8077239394147077,0.901874443149887,0.897102666027003,0.8424478274278664
EOS-2-20786,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c2)cn1,PDIUCPCHRACEQC-UHFFFAOYSA-N,2,1,0.542,43,623,434.862,4.563,5,0.405,0.79,1.0,0.6478822561853197,0.6873843465149749,0.9061236378589541,0.9020886162703036,0.7858697142073882
EOS-2-20787,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cc2)c1,GMACDKUNKRFHIP-UHFFFAOYSA-N,2,1,0.575,43,178,434.862,4.563,5,0.405,0.7,1.0,0.9110067850044548,0.8604362278116647,0.8924422589267357,0.8862398053594681,0.8875312692755808
EOS-2-20788,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,HJRSGLXJHTXDGR-UHFFFAOYSA-N,2,1,0.703,43,623,434.862,4.563,5,0.405,0.84,1.0,0.7332773627578645,0.7441316565005826,0.914716263450072,0.904478788294154,0.8241510177506682
EOS-2-20789,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)cc2)n1,OVQIRCMJPZJCEN-UHFFFAOYSA-N,2,1,0.575,43,178,434.862,4.563,5,0.405,0.73,1.0,0.8184839969844425,0.8409721746281955,0.8855887190734014,0.880517099581934,0.8563904975669934
EOS-2-20790,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccc(F)cc2)n1,CSSHHGIGHAOALP-UHFFFAOYSA-N,2,1,0.658,43,372,434.862,4.563,5,0.405,0.79,1.0,0.7391285724076485,0.8980021931327531,0.8087177026934411,0.8489651154821465,0.8237033959289972
EOS-2-20791,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2)n1,ISGISGGFVDMEHR-UHFFFAOYSA-N,2,1,0.575,43,178,434.862,4.563,5,0.405,0.72,1.0,0.8156826125693921,0.8479627852785964,0.8855972859982181,0.8777157151668837,0.8567395997532726
EOS-2-20792,Cn1nccc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,FBPPRCTWMKZYAG-UHFFFAOYSA-N,2,1,0.561,43,146,434.862,4.563,5,0.405,0.72,1.0,0.6905712425467754,0.8879960249468851,0.8754283462408334,0.8748543622781166,0.8322124940031528
EOS-2-20793,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)cc2)n1,SLGLINMIQUFDBG-UHFFFAOYSA-N,2,1,0.613,43,178,434.862,4.563,5,0.405,0.75,1.0,0.7361215817969982,0.8077325063395243,0.8778870536632171,0.8705623329449661,0.8230758686861765
EOS-2-20794,Cn1nccc1-c1cccc(COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1,MPHMFZPMJYCIOH-UHFFFAOYSA-N,2,1,0.608,43,96,434.862,4.563,5,0.405,0.69,1.0,0.8132667397710918,0.8443646768555959,0.8948752655746693,0.8862483722842849,0.8596887636214104
EOS-2-20795,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cc2)n1,HGIIBFZGDDLZAP-UHFFFAOYSA-N,2,1,0.568,43,178,434.862,4.563,5,0.405,0.78,1.0,0.8408865053800287,0.8443732437804126,0.8878589541498184,0.8762250702487835,0.8623359433897608
EOS-2-20796,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)n1,NIFCXORPQAENNT-UHFFFAOYSA-N,2,1,0.746,43,96,434.862,4.563,5,0.405,0.76,1.0,0.9063549448290041,0.8958090603796861,0.8960318004249195,0.8818706737029676,0.8950166198341443
EOS-2-20797,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2)cn1,VFZDMAXFPACFJR-UHFFFAOYSA-N,2,1,0.59,43,623,434.862,4.563,5,0.405,0.78,1.0,0.7569477760263176,0.8269738194777603,0.9127715715166884,0.9044873552189706,0.8502951305599342
EOS-2-20798,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2)c1,YVQZPWJJTWHULW-UHFFFAOYSA-N,2,1,0.575,43,178,434.862,4.563,5,0.405,0.72,1.0,0.8933332191076692,0.8604447947364814,0.8935987937769858,0.884749160441368,0.8830314920156261
EOS-2-20799,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cc2)c1,YPANYOYWAUJNLX-UHFFFAOYSA-N,2,1,0.568,43,178,434.862,4.563,5,0.405,0.74,1.0,0.9322441916249743,0.847971352203413,0.8960403673497361,0.8847577273661846,0.890253409636077
EOS-2-20800,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c(Cl)c2)cn1,DZEVWTINKCIPKS-UHFFFAOYSA-N,2,1,0.605,43,521,434.862,4.657,5,0.402,0.78,1.0,0.8804057295593174,0.8037660201494071,0.89945000342677,0.8929305736412857,0.869138081694195
EOS-2-20801,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccccc5F)n34)c(Cl)c2)cn1,ODBJPGLYFSARPF-UHFFFAOYSA-N,2,1,0.511,43,521,434.862,4.657,5,0.402,0.72,1.0,0.5761942293194435,0.648284901651703,0.880594201905284,0.8777242820917004,0.7456994037420327
EOS-2-20802,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)c1,OEEZGMCKGHKIGG-UHFFFAOYSA-N,2,1,0.578,91,273,434.862,4.595,5,0.422,0.69,1.0,0.9618686176410116,0.967788362689329,0.9039819066547872,0.9146048934274553,0.9370609451031457
EOS-2-20803,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1,MRDVKEMXIONWPS-UHFFFAOYSA-N,2,1,0.736,43,96,434.862,4.563,5,0.405,0.75,1.0,0.9549122746898773,0.8690716880268659,0.9127801384415051,0.9009920498937701,0.9094390377630045
EOS-2-20804,CCn1cc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)cn1,YFKSYJZWEHMULT-UHFFFAOYSA-N,2,1,0.612,13,15,434.862,5.26,5,0.377,0.74,1.0,0.5005825508875335,0.5960009594955795,0.8629206360084984,0.8656534850250154,0.7062894078541567
EOS-2-20805,Cn1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)n1,FTLIKLUUKCVBTA-UHFFFAOYSA-N,2,1,0.529,43,521,434.862,4.563,5,0.405,0.77,1.0,0.660124391748338,0.757247618394901,0.8778956205880337,0.8736207251045165,0.7922220889589473
EOS-2-20806,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)c1,AKEAVLOFHLXAGE-UHFFFAOYSA-N,2,1,0.523,43,521,434.862,4.563,5,0.405,0.77,1.0,0.7212236995408128,0.6873929134397917,0.8960489342745528,0.8957576588307861,0.8001058015214858
EOS-2-20807,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)c1,KHDLWQQRBOZHGX-UHFFFAOYSA-N,2,1,0.529,43,521,434.862,4.563,5,0.405,0.78,1.0,0.7887310670961551,0.7395140840243986,0.8888698512781852,0.8805256665067507,0.8244101672263724
EOS-2-20808,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)c2)n1,BOEHNLVBXOOMAT-UHFFFAOYSA-N,2,1,0.531,43,671,434.862,4.563,5,0.405,0.73,1.0,0.6694366390240559,0.752912754437667,0.8410150092522788,0.8489736824069632,0.7780845212802413
EOS-2-20809,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)n1,ZLKUFSKIPNIABE-UHFFFAOYSA-N,2,1,0.746,43,96,434.862,4.563,5,0.405,0.77,1.0,0.9031937495716538,0.8932818175587691,0.8960575011993694,0.8832842162977178,0.8939543211568776
EOS-2-20810,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)c1,YHPDQPJKCCEPMU-UHFFFAOYSA-N,2,1,0.523,43,521,434.862,4.563,5,0.405,0.77,1.0,0.7242906586251799,0.677506682201357,0.8960660681241861,0.8929391405661024,0.7977006373792064
EOS-2-20811,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,RIQGCNUAUGLWOD-UHFFFAOYSA-N,2,1,0.612,91,273,434.862,4.595,5,0.422,0.62,1.0,0.9532331574258104,0.9622626961825783,0.8714104585018162,0.8832927832225345,0.9175497738331848
EOS-2-20812,Cc1cncn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,CVCGGADKSPLKNG-UHFFFAOYSA-N,2,1,0.605,43,521,434.862,4.657,5,0.402,0.74,1.0,0.8878760879994517,0.8853231444040847,0.8973425399218696,0.8915084641217189,0.8905125591117812
EOS-2-20813,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)c(Cl)c1,GNJCCCKGFYJOSJ-UHFFFAOYSA-N,2,1,0.617,91,273,434.862,4.595,5,0.422,0.83,1.0,0.9648927421012953,0.9344544582276746,0.8642913439791653,0.8762336371736001,0.9099680453704339
EOS-2-20814,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)c1,LABLUZIPJYOPSU-UHFFFAOYSA-N,2,1,0.523,43,521,434.862,4.563,5,0.405,0.79,1.0,0.7058460694948941,0.6775152491261737,0.8960746350490028,0.892947707490919,0.7930959152902474
EOS-2-20815,CCn1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)c1,QWHCAEGYXSNLTL-UHFFFAOYSA-N,2,1,0.489,13,145,434.862,5.26,5,0.377,0.75,1.0,0.602383318483997,0.6677146871359056,0.8509526420396134,0.8434994174491125,0.7411375162771572
EOS-2-20816,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccccc4Cl)n23)ccc1F,VVKJGFHQOZLSIK-UHFFFAOYSA-N,2,1,0.542,43,521,434.862,4.563,5,0.405,0.74,1.0,0.8362260982797615,0.8191436501953259,0.8973511068466863,0.9031851826468371,0.8639765094921528
EOS-2-20817,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)cc1Cl,KMFSXUXLEAUYPC-UHFFFAOYSA-N,2,1,0.767,91,781,434.858,5.465,5,0.355,0.81,1.0,0.9814783085463642,0.9550322116373107,0.9374443149886916,0.9399030224110754,0.9534644643958605
EOS-2-20818,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1,JKNITMFVGZERDQ-UHFFFAOYSA-N,2,1,0.451,31,773,434.851,2.047,5,0.369,0.7,1.0,0.5543828387362073,0.5021331642793503,0.08817935713796175,0.12809265985881707,0.31819700500308407
EOS-2-20819,CCn1nc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)cc1-c1ccnnc1,LLERCCFYEAGSHJ-UHFFFAOYSA-N,2,1,0.396,53,105,434.851,2.487,5,0.371,0.62,0.988,0.19970358440134328,0.22997909670344732,0.07863580289219382,0.08926735658967858,0.14939646014666574
EOS-2-20820,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)n(C)n1,PQLPAPVPCGPFLN-UHFFFAOYSA-N,2,1,0.398,51,45,434.851,2.313,5,0.383,0.64,1.0,0.40362209581248715,0.47480467411418,0.03383078610102118,0.039442121855938594,0.23792491947090672
EOS-2-20821,Cn1nc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1cnc(Cl)nc1,GOVQDCBAHRWUCS-UHFFFAOYSA-N,2,1,0.411,65,462,434.851,2.047,5,0.369,0.67,0.942,0.34739736824069634,0.30679871153450755,0.08336474539099445,0.09310533890754574,0.207666541018436
EOS-2-20822,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cn1,NPYOIRRVMMQAGP-UHFFFAOYSA-N,2,1,0.381,51,45,434.851,2.487,5,0.371,0.74,1.0,0.3864968131039682,0.4309077513535741,0.03383935302583785,0.04847166061270646,0.22492889452402165
EOS-2-20823,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nn2)cn1,XNURCAZQGGCOKF-UHFFFAOYSA-N,2,1,0.379,53,44,434.851,2.487,5,0.396,0.67,0.939,0.24644472620108285,0.28104653553560416,0.09275409499006236,0.09916215475292989,0.17985187786991982
EOS-2-20824,Cn1nncc1-c1cnc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,YVVRHPVRVMZNCK-UHFFFAOYSA-N,2,1,0.436,31,828,434.851,2.047,5,0.395,0.62,1.0,0.4378383935302584,0.38922109519566855,0.08083750257007745,0.11705846069494893,0.25623886299773835
EOS-2-20825,Cc1nc(-c2cncn2C)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)n1,QDKLINWAZWWBPH-UHFFFAOYSA-N,2,1,0.361,7,330,434.851,2.313,5,0.41,0.61,1.0,0.3205828935645261,0.2810551024604208,0.09501576314166267,0.08927592351449523,0.19648242067027621
EOS-2-20826,Cc1n[nH]c(-c2cncc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)n1,YTFVNQHUPXCUMC-UHFFFAOYSA-N,2,1,0.455,65,349,434.851,2.345,5,0.427,0.57,0.819,0.5262319237886368,0.5479062435748064,0.07219347543005962,0.09508429854019601,0.31035398533342473
EOS-2-20827,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)n(C)n1,MYYYBIKYIDWOAO-UHFFFAOYSA-N,2,1,0.42,51,924,434.851,2.313,5,0.41,0.62,1.0,0.43525974916044136,0.46621204852306214,0.03384791995065451,0.03945068878075526,0.24369260160372833
EOS-2-20828,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)n(C)n4)n23)n1,AVSFLGWOESCXHN-UHFFFAOYSA-N,2,1,0.415,7,462,434.851,2.313,5,0.383,0.68,0.964,0.262430607908985,0.29184942772942224,0.10000171338496333,0.08385306010554451,0.18453370228222876
EOS-2-20829,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)n(C)n1,UFJVLUIXEGBQRZ-UHFFFAOYSA-N,2,1,0.419,51,48,434.851,2.313,5,0.41,0.6,1.0,0.36330614762524843,0.36513946953601534,0.04696388184497293,0.055111027345624015,0.20763013158796517
EOS-2-20830,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cnn2)cn1,UCKDAHOCVQFPHJ-UHFFFAOYSA-N,2,1,0.391,51,924,434.851,2.487,5,0.396,0.52,1.0,0.33075183332191077,0.3360376259337948,0.09744876978959632,0.107489205674731,0.2179318586800082
EOS-2-20831,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,JADWZMHZMZZCOW-UHFFFAOYSA-N,2,1,0.516,87,728,434.851,2.047,5,0.395,0.74,1.0,0.5878623809197451,0.6337211294633678,0.06186176410115825,0.10125248440819683,0.346174439723117
EOS-2-20832,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)cn1,FIDISFZHKMELNW-UHFFFAOYSA-N,2,1,0.344,51,924,434.851,2.487,5,0.396,0.65,1.0,0.2597405935165513,0.229987663628264,0.08337331231581112,0.08554074429442807,0.1646605784387636
EOS-2-20833,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)ncn1,HMRCTVQSAMBKJO-UHFFFAOYSA-N,2,1,0.379,31,296,434.851,2.047,5,0.395,0.6,0.99,0.4734082653690631,0.3360461928586115,0.06779007607429237,0.08386162703036118,0.24027654033308202
EOS-2-20834,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cnn1,XAVKRZNCNBPBEO-UHFFFAOYSA-N,2,1,0.42,53,602,434.851,2.047,5,0.395,0.66,0.972,0.435268316085258,0.42201528339387295,0.10001028030978,0.13011445411555067,0.27185208347611545
EOS-2-20835,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)n(C)n1,BVFGUBZSOUKNKX-UHFFFAOYSA-N,2,1,0.378,53,924,434.851,2.313,5,0.41,0.56,0.921,0.3541309711465972,0.3461465972174628,0.05233534370502364,0.061082173942841475,0.2034237715029813
EOS-2-20836,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cn1,ADJUFEQZZKPYIJ-UHFFFAOYSA-N,2,1,0.454,20,279,434.851,2.047,5,0.395,0.64,1.0,0.5080871770269344,0.5293502844219039,0.056104790624357484,0.07502912754437667,0.29214284490439313
EOS-2-20837,Cc1nc(-c2cnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)n[nH]1,DNKMLWBWOVHXIK-UHFFFAOYSA-N,2,1,0.444,31,828,434.851,2.345,5,0.399,0.65,1.0,0.5595486944006579,0.5760314577479269,0.08338187924062779,0.10749777259954767,0.33161495099719007
EOS-2-20838,Cn1nc(-c2ccncn2)cc1-c1nnc2cncc(OCCc3cnc(Cl)nc3)n12,FBWATZLYAFEFMX-UHFFFAOYSA-N,2,1,0.415,31,569,434.851,2.047,5,0.369,0.58,0.98,0.3842265780275512,0.30170139126859025,0.08339044616544446,0.09311390583236241,0.2156080803234871
EOS-2-20839,Cn1nc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1cnc(Cl)nc1,FIRJYZSLUNXFFU-UHFFFAOYSA-N,2,1,0.389,31,462,434.851,2.047,5,0.369,0.64,1.0,0.3541395380714139,0.31710472208895896,0.05425433486395723,0.062512850387225,0.19700286135288878
EOS-2-20840,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,VOBYUFAWXMJYAK-UHFFFAOYSA-N,2,1,0.439,92,779,434.851,2.047,5,0.395,0.61,1.0,0.4080340620930711,0.42637584812555684,0.10784044959221438,0.13667671852511823,0.26973176958399014
EOS-2-20841,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,BEHSFQOEGRCQBK-UHFFFAOYSA-N,2,1,0.516,65,728,434.851,2.047,5,0.395,0.79,1.0,0.5595572613254746,0.619739908162566,0.08084606949489412,0.132453224590501,0.3481491158933589
EOS-2-20842,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,ZDQPVRWNPKXMEV-UHFFFAOYSA-N,2,1,0.469,53,602,434.851,2.047,5,0.395,0.67,1.0,0.4288088547734905,0.5107600575697347,0.07638270166541018,0.10342848331163046,0.2798450243300665
EOS-2-20843,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cnccn1,MIPYCCZSKCMNMX-UHFFFAOYSA-N,2,1,0.392,31,569,434.851,2.047,5,0.395,0.6,1.0,0.37492289767665,0.2918579946542389,0.05234391062984031,0.07687101637996024,0.19899895483517238
EOS-2-20844,Cc1nc(Cl)ccc1-c1nnc2cncc(OCc3nccc(-c4nncn4C)n3)n12,IDEOXBRXKSYNKK-UHFFFAOYSA-N,2,1,0.4,36,185,434.851,2.313,5,0.383,0.64,1.0,0.42395140840243983,0.5248269481187033,0.0452419299568227,0.05649030224110753,0.2626276471797684
EOS-2-20845,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1,HBHXXZLJNARIHF-UHFFFAOYSA-N,2,1,0.553,36,447,434.851,2.047,5,0.395,0.72,1.0,0.6934154615859092,0.6971335069563429,0.0657597148927421,0.10343705023644713,0.38993643341786033
EOS-2-20846,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)nn2)cn1,GEGNSUJZLJPHBV-UHFFFAOYSA-N,2,1,0.381,53,44,434.851,2.047,5,0.395,0.67,0.975,0.3865053800287849,0.37015112055376603,0.08339901309026113,0.10750633952436434,0.23689046329929409
EOS-2-20847,Cn1cnc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)ncn4)n23)c1Cl,XCCRLOJXJOXKTG-UHFFFAOYSA-N,2,1,0.388,31,194,434.851,2.047,5,0.395,0.56,0.974,0.43784696045507504,0.4220238503186896,0.09276266191487903,0.11926016037283257,0.2679734082653691
EOS-2-20848,Cn1nc(-c2nnc3cncc(OCCc4cnncc4Cl)n23)cc1-c1cnccn1,FBLDADHOTXVLIG-UHFFFAOYSA-N,2,1,0.433,31,569,434.851,2.047,5,0.395,0.52,1.0,0.40581522856555413,0.3461551641422795,0.10250325543143034,0.14140566102391885,0.2489698272907957
EOS-2-20849,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)cn1,WPAZMZBQRRALPN-UHFFFAOYSA-N,2,1,0.359,53,924,434.851,2.487,5,0.396,0.64,1.0,0.302686587622507,0.3017099581934069,0.06576828181755877,0.07687958330477691,0.18676110273456242
EOS-2-20850,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cn1,GLXLDUNVJWZANS-UHFFFAOYSA-N,2,1,0.5,65,728,434.851,2.047,5,0.369,0.74,1.0,0.5414382153382222,0.610170653142348,0.08340758001507778,0.12392056747309986,0.33973425399218693
EOS-2-20851,COc1cc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)c4)n23)ccc1Cl,PQPBLAKWAQFQCI-UHFFFAOYSA-N,2,1,0.529,43,499,434.847,3.212,5,0.433,0.78,1.0,0.8433280789527791,0.79951682544034,0.5847097525872113,0.5363408950723049,0.6909738880131587
EOS-2-20852,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)o1,ZYBHKYMNPWWVIN-UHFFFAOYSA-N,2,1,0.516,65,142,434.847,3.215,5,0.397,0.66,1.0,0.6023918854088136,0.5913234185456788,0.2426838462065657,0.26808477828798577,0.42612098211226096
EOS-2-20853,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)o1,VIGHSHRADAGUGJ-UHFFFAOYSA-N,2,1,0.494,72,482,434.847,3.215,5,0.397,0.71,1.0,0.6996778836268933,0.7116544445205949,0.14239942430265232,0.1698392844904393,0.4308927592351449
EOS-2-20854,OCCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)ccn2)cn1,ZVINJZWDYCGRRE-UHFFFAOYSA-N,2,1,0.415,92,329,434.847,2.883,5,0.405,0.77,1.0,0.3633147145500651,0.3120416695223083,0.38651394695360153,0.39026626002330206,0.36303414776231924
EOS-2-20855,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)no1,UZVZGTNFECPTSG-UHFFFAOYSA-N,2,1,0.5,20,921,434.847,3.215,5,0.397,0.68,1.0,0.5762027962442602,0.5812744157357275,0.13319854704955109,0.1591991638681379,0.36246873072441915
EOS-2-20856,OCc1nccn1-c1ccc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)cc1,WRWJWTZZXHDKSR-UHFFFAOYSA-N,2,1,0.467,55,434,434.847,2.492,5,0.405,0.68,1.0,0.47837708176273047,0.4309163182783908,0.4153159481872387,0.3804828318826674,0.42627304502775687
EOS-2-20857,OCc1ccc(-c2nnc3cncc(OCc4nnnn4-c4ccc(Cl)cc4)n23)cc1,PBPNNVFVBAGZRX-UHFFFAOYSA-N,2,1,0.523,43,612,434.847,2.492,5,0.433,0.74,1.0,0.6024004523336303,0.6874014803646084,0.3412463162223288,0.44979782057432666,0.5202115173737235
EOS-2-20858,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)no1,ZQYZDZPYINGNIA-UHFFFAOYSA-N,2,1,0.533,65,981,434.847,3.215,5,0.371,0.73,1.0,0.5907837022822288,0.7116630114454116,0.1833407580015078,0.20006339524364333,0.42146271674319785
EOS-2-20859,COc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cn4)n23)ccc1Cl,OGBLDVMIRZLCGA-UHFFFAOYSA-N,2,1,0.534,4,67,434.847,3.008,5,0.401,0.78,1.0,0.3281303543280104,0.5338479199506545,0.514880748406552,0.4434154615859091,0.4550686210677815
EOS-2-20860,COc1ccc(-n2nnnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,XILGXJDTJHXNIZ-UHFFFAOYSA-N,2,1,0.542,43,612,434.847,3.008,5,0.401,0.79,1.0,0.6418340072647523,0.8191522171201425,0.29744362963470633,0.3514923583030635,0.5274805530806661
EOS-2-20861,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1nc[nH]n1,PROQYARWSIGSLT-UHFFFAOYSA-N,2,1,0.49,47,718,434.847,3.212,5,0.405,0.61,1.0,0.6079689534644644,0.5618360633267082,0.4264700842985402,0.3612586525940648,0.48938343842094445
EOS-2-20862,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)o1,AIJXKHTWAOHIEZ-UHFFFAOYSA-N,2,1,0.488,20,628,434.847,3.215,5,0.397,0.7,1.0,0.5595658282502913,0.6337296963881845,0.14835343705023646,0.169847851415256,0.377874203275992
EOS-2-20863,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)o1,KIIFYFPUOTZOJL-UHFFFAOYSA-N,2,1,0.5,87,142,434.847,3.215,5,0.371,0.61,1.0,0.5623415118908917,0.5708399013090261,0.24625625385511618,0.2528527859639504,0.40807261325474614
EOS-2-20864,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)no1,BBBAJGFZMVNJFO-UHFFFAOYSA-N,2,1,0.554,75,359,434.847,3.215,5,0.371,0.73,1.0,0.6218902062915496,0.605347474470564,0.18659618943184156,0.2061459118634775,0.4049949455143581
EOS-2-20865,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)o1,DQTBQURPBKKVLZ-UHFFFAOYSA-N,2,1,0.484,87,838,434.847,3.215,5,0.397,0.62,1.0,0.5362809265985882,0.557072853128641,0.2002861352888767,0.23234356795284763,0.38149587074223834
EOS-2-20866,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)o1,HPXTZXYJYNTBHE-UHFFFAOYSA-N,2,1,0.527,65,142,434.847,3.215,5,0.371,0.69,1.0,0.5937821259680625,0.6482934685765198,0.21096909053526147,0.22635528750599684,0.41984999314646015
EOS-2-20867,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)o1,XRSMUPCXAHPEMH-UHFFFAOYSA-N,2,1,0.505,58,241,434.847,3.215,5,0.371,0.71,0.994,0.5735813172503598,0.5663422657802755,0.13948666986498526,0.16438215338222192,0.3609481015694606
EOS-2-20868,Cc1noc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)n1,SLUOBCAUZPSMJV-UHFFFAOYSA-N,2,1,0.516,75,304,434.847,3.215,5,0.397,0.69,1.0,0.5762113631690768,0.5479148104996231,0.16096395038037145,0.19186484819409225,0.3692387430607909
EOS-2-20869,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)n1,MPJUVMZANGLOOU-UHFFFAOYSA-N,2,1,0.5,87,304,434.847,3.215,5,0.397,0.73,1.0,0.5966006442327462,0.6483020355013365,0.1577085189500377,0.18619354396545815,0.3972011856623946
EOS-2-20870,Cc1noc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n1,RUPHPVOSPKETRM-UHFFFAOYSA-N,2,1,0.484,65,858,434.847,3.215,5,0.397,0.67,1.0,0.630285792611884,0.5760400246727435,0.2392742101295319,0.2619679939688849,0.4268920053457611
EOS-2-20871,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)no1,NWDUXKODPLSAFT-UHFFFAOYSA-N,2,1,0.506,87,131,434.847,3.215,5,0.397,0.7,1.0,0.5623500788157083,0.5708484682338428,0.18008532657117401,0.20615447878829415,0.3798595881022548
EOS-2-20872,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)n1,OIOYHFJAGIASEK-UHFFFAOYSA-N,2,1,0.522,65,981,434.847,3.215,5,0.397,0.73,1.0,0.6633712562538551,0.6775238160509903,0.19329552463847577,0.2176941265163457,0.4379711808649167
EOS-2-20873,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n1,PWSSZGBYOUEFMZ-UHFFFAOYSA-N,2,1,0.518,65,981,434.847,3.215,5,0.371,0.76,1.0,0.6135717222945651,0.6823726954972243,0.19671372764032624,0.2061630457131108,0.4247052977863066
EOS-2-20874,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cc[nH]n1,IRCMYNVYNDGMQN-UHFFFAOYSA-N,2,1,0.392,49,62,434.847,3.212,5,0.433,0.65,0.977,0.6164930436570488,0.520192241792886,0.3639829346857652,0.322570420121993,0.45580966006442325
EOS-2-20875,Cc1noc(C)c1COc1cncc2nnc(-c3ccnc(-c4cnc(Cl)nc4)c3)n12,NYAUDBLIMICILI-UHFFFAOYSA-N,2,1,0.483,7,441,434.847,3.481,5,0.383,0.71,1.0,0.5262404907134535,0.5202008087177027,0.1967222945651429,0.17254643273250633,0.3539275066822013
EOS-2-20876,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)no1,PZWNXIWDPCPREM-UHFFFAOYSA-N,2,1,0.527,87,579,434.847,3.215,5,0.397,0.73,1.0,0.5791583853060106,0.7023593310945103,0.14530361181550272,0.16985641834007265,0.39916943663902404
EOS-2-20877,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)no1,GFHFXAAHOUSAEO-UHFFFAOYSA-N,2,1,0.511,65,131,434.847,3.215,5,0.371,0.7,1.0,0.5966092111575629,0.5812829826605441,0.23546192858611473,0.24971729148104996,0.41576785347131795
EOS-2-20878,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)no1,FRELFQOTUUYKHA-UHFFFAOYSA-N,2,1,0.543,65,578,434.847,3.215,5,0.371,0.76,1.0,0.6218987732163662,0.7348022753752314,0.19330409156329245,0.21211705846069495,0.44053054965389626
EOS-2-20879,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1O,AQNVHNQORFYVRP-UHFFFAOYSA-N,2,1,0.467,72,208,434.847,2.92,5,0.448,0.58,1.0,0.4979525049688164,0.4881262422040984,0.3865225138784182,0.3544308135151806,0.4317580186416284
EOS-2-20880,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1nc[nH]n1,AUYPHGUEBOKIGR-UHFFFAOYSA-N,2,1,0.484,47,718,434.847,3.212,5,0.405,0.69,1.0,0.7860067850044548,0.5865944760468782,0.5148893153313686,0.4216811733260229,0.5772929374271811
EOS-2-20881,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nc[nH]n1,NWJJICSTMYXMPN-UHFFFAOYSA-N,2,1,0.473,47,375,434.847,3.212,5,0.433,0.61,1.0,0.7687701322733191,0.6101792200671647,0.5079158385306011,0.43720444109382495,0.5810174079912275
EOS-2-20882,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)c2)no1,XPHUITAYZZNPGU-UHFFFAOYSA-N,2,1,0.495,65,131,434.847,3.215,5,0.371,0.67,1.0,0.5762199300938935,0.5618446302515249,0.19673086148995955,0.22329689534644645,0.3895230792954561
EOS-2-20883,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)o1,YBLJWLSTOWORNT-UHFFFAOYSA-N,2,1,0.533,58,981,434.847,3.215,5,0.371,0.69,1.0,0.6478908231101363,0.7116715783702282,0.19673942841477624,0.2121256253855116,0.44210686382016307
EOS-2-20884,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)o1,REISFDKPDCHETD-UHFFFAOYSA-N,2,1,0.549,65,981,434.847,3.215,5,0.397,0.73,0.999,0.690579809471592,0.6922417928860256,0.1933126584881091,0.2233054622712631,0.44985993077924746
EOS-2-20885,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)no1,LHMUIXRTLAVEOW-UHFFFAOYSA-N,2,1,0.474,87,954,434.847,3.215,5,0.371,0.75,1.0,0.5262490576382701,0.6628572407648551,0.12466588993214996,0.15136042766088684,0.3662831539990405
EOS-2-20886,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5CO)n34)nn2)cn1,MOTKGORRVMPHKJ-UHFFFAOYSA-N,2,1,0.398,36,706,434.847,2.92,5,0.448,0.73,1.0,0.5466297717771229,0.6533993557672538,0.5040521554382839,0.4778287985744637,0.545477520389281
EOS-2-20887,Cc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1nnco1,HUNILPLEQNTMBK-UHFFFAOYSA-N,2,1,0.472,20,279,434.847,3.215,5,0.397,0.65,1.0,0.6694452059488726,0.6287694469193338,0.2283342471386471,0.2441145226509492,0.44266585566445066
EOS-2-20888,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)o1,XEEJKNNZPFXJCT-UHFFFAOYSA-N,2,1,0.554,75,241,434.847,3.215,5,0.371,0.65,1.0,0.6601329586731547,0.5663508327050922,0.20029470221369336,0.215132615996162,0.41047777739702557
EOS-2-20889,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)nc1,YOGQXFCIKWMXDL-UHFFFAOYSA-N,2,1,0.518,7,434,434.847,3.481,5,0.383,0.68,1.0,0.48566753478171476,0.5960095264203962,0.23547049551093138,0.1944606264135426,0.37790204578164627
EOS-2-20890,Cn1nnnc1-c1ccc(Cl)c(Oc2cncc3nnc(-c4ccc(CO)cc4)n23)c1,QPRNRPHMZNNJDW-UHFFFAOYSA-N,2,1,0.488,61,941,434.847,2.92,5,0.448,0.83,1.0,0.6302943595367007,0.7995253923651566,0.4762353505585635,0.5129874580220684,0.6047606401206223
EOS-2-20891,Cn1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5CO)n34)cnn2)n1,BKWFPYJJASPOFQ-UHFFFAOYSA-N,2,1,0.419,53,706,434.847,2.92,5,0.448,0.61,0.99,0.47341683229387976,0.5202093756425193,0.4935919402371325,0.48079295456103077,0.4920027756836406
EOS-2-20892,Cc1cc(-c2cnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)no1,MMWIFVNHHFLISJ-UHFFFAOYSA-N,2,1,0.455,18,578,434.847,3.215,5,0.371,0.57,1.0,0.5388938386676718,0.5479233774244398,0.22455623329449662,0.24681310396819958,0.38954663833870196
EOS-2-20893,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1cn[nH]c1,JENQUOXHDSLEBX-UHFFFAOYSA-N,2,1,0.449,16,248,434.847,3.212,5,0.433,0.6,1.0,0.6418425741895689,0.6101877869919814,0.5285449934891372,0.44342402851072577,0.5559998457953533
EOS-2-20894,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)ccc1-c1c[nH]cn1,JPOORCXWMQZQDD-UHFFFAOYSA-N,2,1,0.474,4,248,434.847,3.212,5,0.405,0.65,1.0,0.67564765951614,0.6240148036460832,0.44837571105475976,0.3515009252278802,0.5248847748612158
EOS-2-20895,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)o1,JANMIQSMINJKNA-UHFFFAOYSA-N,2,1,0.512,72,482,434.847,3.215,5,0.397,0.74,1.0,0.8132753066959084,0.8341357686244946,0.15771708587485436,0.17799499691590706,0.49578078952779114
EOS-2-20896,COc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1nnnn1C,QSRAUMKUSFXMID-UHFFFAOYSA-N,2,1,0.658,61,941,434.847,3.436,5,0.414,0.82,1.0,0.4124631622232883,0.5523610444794737,0.34896511548214654,0.38348125556850116,0.4243176444383524
EOS-2-20897,Cc1onnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1,ZBWXYFGTVQPENT-UHFFFAOYSA-N,2,1,0.456,18,773,434.847,3.215,5,0.371,0.66,0.997,0.5105887190734014,0.5383541224042218,0.21097765746007813,0.23528202316496472,0.3738006305256665
EOS-2-20898,Cn1[nH]c(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)cc1=O,ZVHSVARVMYJNBE-UHFFFAOYSA-N,2,1,0.489,4,390,434.847,2.508,5,0.451,0.63,0.98,0.37960043862655063,0.457319580563361,0.35276883010074706,0.3612672195188815,0.387739017202385
EOS-2-20899,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)c2)o1,OVYSAJABSFZXRM-UHFFFAOYSA-N,2,1,0.389,18,840,434.847,3.215,5,0.371,0.71,1.0,0.4806473168391474,0.46622061544787885,0.14836200397505311,0.15377630045918717,0.31225155918031666
EOS-2-20900,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)o1,HUTBFZDDWOZONW-UHFFFAOYSA-N,2,1,0.533,58,578,434.847,3.215,5,0.371,0.71,1.0,0.6633798231786718,0.702367898019327,0.2073624151874443,0.22051264478102942,0.44840569529161817
EOS-2-20901,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)o1,HAMLICJASAIXED-UHFFFAOYSA-N,2,1,0.489,58,954,434.847,3.215,5,0.371,0.72,0.998,0.5849667603317114,0.677532382975807,0.13631690768281818,0.15920773079295455,0.38950594544582273
EOS-2-20902,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)no1,PZCCUPYEWOFQQW-UHFFFAOYSA-N,2,1,0.516,87,304,434.847,3.215,5,0.397,0.73,1.0,0.5652971009526421,0.6971420738811597,0.14531217874031938,0.1809334521280241,0.3971712014255363
EOS-2-20903,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5nnc(Cl)s5)cn4)n23)ccc1F,ROODIFOQQKDZEA-UHFFFAOYSA-N,2,1,0.362,22,216,434.847,4.036,5,0.422,0.75,0.999,0.24352340483859913,0.47481324103899664,0.6764015489000068,0.7500428346240834,0.5361952573504215
EOS-2-20904,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)o1,NWTZUAUUBRVHEN-UHFFFAOYSA-N,2,1,0.553,91,273,434.847,2.924,5,0.393,0.64,1.0,0.8289185114111438,0.6775409499006236,0.40473579603865395,0.37069940374203275,0.5704736652731135
EOS-2-20905,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)o1,HOVPPJSDRIHAHG-UHFFFAOYSA-N,2,1,0.641,43,909,434.843,4.082,5,0.394,0.8,1.0,0.9110153519292715,0.9132256185319718,0.5316462202727709,0.49902337057089985,0.7137276403262286
EOS-2-20906,COc1ncncc1-c1cc(Cl)ccc1-c1nnc2cncc(OCc3ccco3)n12,JHQIKDUGHBOYKN-UHFFFAOYSA-N,2,1,0.588,4,71,434.843,4.082,5,0.394,0.69,1.0,0.8106966623260914,0.8479799191282297,0.6038739634020972,0.539459255705572,0.7005024501404975
EOS-2-20907,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cocn1,PLPBOBCBZSYIQT-UHFFFAOYSA-N,2,1,0.489,97,383,434.843,4.082,5,0.394,0.68,1.0,0.872498457953533,0.6725892673565896,0.6952402165718594,0.6090912206154478,0.7123547906243575
EOS-2-20908,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cnco1,HJYKAMOPBORHPF-UHFFFAOYSA-N,2,1,0.506,97,103,434.843,4.082,5,0.394,0.66,1.0,0.8362346652045781,0.6725978342814063,0.7185165512987458,0.6296518401754506,0.7142502227400452
EOS-2-20909,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cnco1,NRQFFIMQGWZRSB-UHFFFAOYSA-N,2,1,0.518,97,103,434.843,4.082,5,0.368,0.68,1.0,0.8637687615653485,0.6240233705708998,0.7237166746624631,0.6153193749571654,0.7067070454389692
EOS-2-20910,OCc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nc5)no4)n23)cc1,AJHRRGZZGLKFJK-UHFFFAOYSA-N,2,1,0.558,97,992,434.843,3.566,5,0.404,0.77,1.0,0.7743814680282366,0.6922503598108423,0.6952487834966761,0.6584966760331711,0.7050943218422315
EOS-2-20911,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cocn1,PKWSGHVIMLVALC-UHFFFAOYSA-N,2,1,0.523,1,61,434.843,4.082,5,0.368,0.7,1.0,0.7025820711397437,0.6337382633130012,0.6189174833801658,0.5296672606401206,0.6212262696182578
EOS-2-20912,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)c5)o4)n23)cc1,PNSCPLHTIUMKOM-UHFFFAOYSA-N,2,1,0.529,97,744,434.843,3.566,5,0.431,0.72,1.0,0.7453224590500994,0.7070968405181276,0.6599873209512713,0.6358285929682681,0.6870588033719416
EOS-2-20913,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccon1,OIYYSTKOTGSIJR-UHFFFAOYSA-N,2,1,0.489,97,383,434.843,4.082,5,0.394,0.73,1.0,0.8156911794942088,0.6240319374957165,0.6897659516140087,0.6123552189705983,0.6854610718936329
EOS-2-20914,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccon1,SRGYZGPFEIBCTF-UHFFFAOYSA-N,2,1,0.562,11,275,434.843,3.822,5,0.429,0.55,0.998,0.8132838736207251,0.7441402234253992,0.5487372352820231,0.5462271263107394,0.6630971146597218
EOS-2-20915,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cocn1,SJOFGRSJIBFAGS-UHFFFAOYSA-N,2,1,0.565,4,61,434.843,4.082,5,0.394,0.66,1.0,0.7540692892879172,0.6628658076896717,0.6486361455691865,0.5625471180864917,0.6570295901583167
EOS-2-20916,OCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)cc2)o1,NTOWGSWCINJOPA-UHFFFAOYSA-N,2,1,0.536,43,178,434.843,3.566,5,0.431,0.79,1.0,0.8054794051127407,0.8114077170858749,0.5386539647728051,0.5691093824960592,0.68116261736687
EOS-2-20917,Cc1cc(-c2cccc(F)n2)ncc1-c1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,ATIUQFGUVHBXOH-UHFFFAOYSA-N,2,1,0.396,45,140,434.837,5.155,5,0.367,0.68,1.0,0.44249880063052566,0.7163234185456788,0.9250479747789734,0.9390548968542252,0.7557312727023507
EOS-2-20918,Cc1nc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)c(F)c5)cc4)n23)ccc1F,ZICGSLVPBZTYIF-UHFFFAOYSA-N,2,1,0.296,96,558,434.837,5.155,5,0.367,0.79,1.0,0.32059146048934273,0.4618943184154616,0.9214498663559728,0.937358645740525,0.6603235727503256
EOS-2-20919,Cc1cc(-c2nnc3cncc(-c4cnc(-c5ccc(F)nc5)cc4F)n23)ccc1Cl,YJPIWSFEELVGPB-UHFFFAOYSA-N,2,1,0.346,96,46,434.837,5.155,5,0.367,0.8,1.0,0.38651394695360153,0.6430076759646357,0.9501918991158934,0.960129531903228,0.7349607634843397
EOS-2-20920,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)cc2)cc1F,JKVNQTTXHMNJKH-UHFFFAOYSA-N,2,1,0.538,83,163,434.833,6.182,5,0.339,0.83,1.0,0.9412565965321088,0.9706754163525461,0.9853334247138648,0.9914673428825989,0.9721831951202796
EOS-2-20921,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c(F)c1,BSQRAGGTTMGAEA-UHFFFAOYSA-N,2,1,0.597,83,163,434.833,6.182,5,0.339,0.86,1.0,0.952522102666027,0.9782914125145638,0.9845624014803646,0.9912189020629155,0.9766487046809676
EOS-2-20922,Fc1cccc(Oc2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)c1,IUWJQCWOSARBBZ-UHFFFAOYSA-N,2,1,0.457,83,533,434.833,6.182,5,0.339,0.87,1.0,0.6051761359742307,0.9373243780412583,0.982874717291481,0.9918442875745322,0.8793048797203755
EOS-2-20923,Fc1cc(F)cc(Oc2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1,JAQGSRJNDWJALM-UHFFFAOYSA-N,2,1,0.448,83,533,434.833,6.182,5,0.339,0.86,1.0,0.5994020286477966,0.9400229593585087,0.9831488588856144,0.9912274689877322,0.8784503289699129
EOS-2-20924,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5cc(F)cc(Cl)c5)n34)cc2)cc1,NYVXOHBDWAALGT-UHFFFAOYSA-N,2,1,0.623,83,163,434.833,6.182,5,0.339,0.86,1.0,0.9385066136659584,0.9800219313275307,0.9833972997052978,0.9912360359125488,0.9732904701528339
EOS-2-20925,Fc1cc(F)cc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c1,OIJXPIRKRTZGCX-UHFFFAOYSA-N,2,1,0.623,83,163,434.833,6.182,5,0.339,0.87,1.0,0.9385151805907751,0.9778116647248304,0.9834058666301144,0.9914759098074155,0.9728021554382839
EOS-2-20926,Fc1cc(F)cc(-c2nnc3cncc(-c4cc(Cl)ccc4Oc4ccccc4)n23)c1,NKDRYVVKZHKFED-UHFFFAOYSA-N,2,1,0.423,83,480,434.833,6.182,5,0.339,0.86,1.0,0.48065588376396406,0.6971506408059763,0.9753786580768967,0.9856932355561647,0.7847196045507504
EOS-2-20927,Fc1ccc(F)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1,GUKVLYZULOLLAB-UHFFFAOYSA-N,2,1,0.625,83,163,434.833,6.182,5,0.339,0.81,1.0,0.960617846617778,0.987877801384415,0.9847851415255979,0.9922212322664656,0.9813755054485642
EOS-2-20928,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1F,AREXKKPLXZCRRE-UHFFFAOYSA-N,2,1,0.721,83,163,434.833,6.182,5,0.339,0.8,1.0,0.9710437941196628,0.9819323555616476,0.9864471249400315,0.992752381605099,0.9830439140566103
EOS-2-20929,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2)cc1,AMHRQPAYTFNBHE-UHFFFAOYSA-N,2,1,0.597,83,163,434.833,6.182,5,0.339,0.87,1.0,0.9510828592968268,0.9768436022205469,0.9845709684051813,0.9912446028373655,0.9759355081899801
EOS-2-20930,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4cncnc4)cn3)n12,AEKICKJDGMHSJJ-UHFFFAOYSA-N,2,1,0.543,51,969,434.822,3.41,5,0.414,0.73,1.0,0.802815091494757,0.937332944966075,0.6332585155232677,0.6701648276334727,0.7608928449043931
EOS-2-20931,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cnccn1,PBKVEUJEPPPDKX-UHFFFAOYSA-N,2,1,0.483,73,540,434.822,3.41,5,0.414,0.65,1.0,0.8132924405455417,0.8571807963813309,0.6070094578849976,0.6358371598930848,0.7283299636762388
EOS-2-20932,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ncccn4)n23)nc1,PKTRMEDDVGGCMH-UHFFFAOYSA-N,2,1,0.517,73,242,434.822,3.41,5,0.387,0.67,1.0,0.7630988280446851,0.8746401891576999,0.4011805222397368,0.46877355904324586,0.626923274621342
EOS-2-20933,Fc1cccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1,YGPXXZFSPWCAPK-UHFFFAOYSA-N,2,1,0.616,34,612,434.822,3.41,5,0.414,0.81,1.0,0.9063635117538208,0.9768521691453635,0.4011890891645535,0.5909036392296622,0.71882710232335
EOS-2-20934,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncccn1,ILOMHZSWARRSCY-UHFFFAOYSA-N,2,1,0.524,4,208,434.822,3.41,5,0.414,0.72,1.0,0.8479627852785964,0.8510126105133301,0.5148978822561853,0.5561818929477075,0.6925137927489547
EOS-2-20935,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)cnc1Cl,BWBUGYALRCYVBV-UHFFFAOYSA-N,2,1,0.43,46,726,434.822,3.41,5,0.387,0.64,0.996,0.6934240285107258,0.5812915495853609,0.5686553354807758,0.587759577821945,0.6077826228497019
EOS-2-20936,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cn1,NDKVIWHWYCQZKQ-UHFFFAOYSA-N,2,1,0.59,4,32,434.822,3.41,5,0.387,0.79,1.0,0.7631073949695018,0.9428671783976423,0.5040607223631005,0.6026745939277637,0.7031774724145021
EOS-2-20937,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cnn2)nc1,FPMGPHNSXLZQJD-UHFFFAOYSA-N,2,1,0.467,4,670,434.822,3.41,5,0.387,0.61,1.0,0.5653056678774587,0.6287780138441506,0.5386625316976218,0.5998218079638133,0.5831420053457612
EOS-2-20938,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ccn2)ccn1,XMLXCIXNIJWBPC-UHFFFAOYSA-N,2,1,0.489,75,183,434.822,3.41,5,0.306,0.66,1.0,0.6246401891576999,0.6579055582208211,0.5909807415530122,0.5848296895346446,0.6145890446165445
EOS-2-20939,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)nc1,NBFQLRPEUBHUQB-UHFFFAOYSA-N,2,1,0.471,55,930,434.822,3.41,5,0.387,0.76,1.0,0.8590655198409979,0.8409807415530122,0.5453275992049894,0.5657854156671921,0.7027898190665479
EOS-2-20940,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)cn1,YOUVFHYAYCIWSA-UHFFFAOYSA-N,2,1,0.585,16,659,434.822,3.41,5,0.414,0.62,0.997,0.9460969090535262,0.9631793571379618,0.609939346172298,0.6644421218559385,0.7959144335549311
EOS-2-20941,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)ccc1-c1cncnc1,MXLZHLYPESCRIH-UHFFFAOYSA-N,2,1,0.524,2,817,434.822,3.41,5,0.387,0.66,1.0,0.9461054759783428,0.8958176273045028,0.7237252415872798,0.7156723322596121,0.8203301692824343
EOS-2-20942,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4cncnc4)cn3)n12,LSQKVVSKMCPFNA-UHFFFAOYSA-N,2,1,0.517,73,817,434.822,3.41,5,0.414,0.63,1.0,0.7569563429511342,0.9227691727777397,0.6458690288534028,0.6760931396066068,0.7504219210472209
EOS-2-20943,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cnc1Cl,CXDFEKVGGOASEZ-UHFFFAOYSA-N,2,1,0.482,55,540,434.822,3.41,5,0.387,0.65,1.0,0.8590740867658145,0.8269823864025769,0.6486447124940031,0.6358457268179014,0.7426367281200741
EOS-2-20944,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2)cn1,VGSMUMUOJHISFB-UHFFFAOYSA-N,2,1,0.479,16,94,434.822,3.41,5,0.414,0.66,1.0,0.7687786991981358,0.8409893084778288,0.5618617641011583,0.5784473305462271,0.6875192755808375
EOS-2-20945,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cn1,DJXKUHJZNCTZDT-UHFFFAOYSA-N,2,1,0.477,55,434,434.822,3.41,5,0.387,0.65,1.0,0.8525203892810637,0.8114162840106915,0.6541618120759373,0.6473168391474197,0.7413538311287781
EOS-2-20946,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccnnc1,SPVHWNFUBMKFGN-UHFFFAOYSA-N,2,1,0.518,72,208,434.822,3.41,5,0.414,0.66,1.0,0.7687872661229525,0.860453361661298,0.6652645466383387,0.7019138510040436,0.7491047563566582
EOS-2-20947,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nc1,OOMSDBOBSSFPPA-UHFFFAOYSA-N,2,1,0.556,73,335,434.822,3.41,5,0.414,0.75,1.0,0.9355338907545747,0.9647385374545953,0.3865310808032349,0.4808015214858474,0.6919012576245631
EOS-2-20948,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc1Cl,OLGQBFSZEFJVDO-UHFFFAOYSA-N,2,1,0.476,73,19,434.822,3.41,5,0.387,0.69,1.0,0.8590826536906312,0.8479884860530464,0.514906449181002,0.5432458364745391,0.6913058563498047
EOS-2-20949,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccccc5Cl)n34)n2)nc1,WUZBDJGGQKDNLT-UHFFFAOYSA-N,2,1,0.506,73,446,434.822,3.41,5,0.414,0.75,1.0,0.7212322664656295,0.8191607840449592,0.3412548831471455,0.4498063874991433,0.5828635802892194
EOS-2-20950,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)nn1,AXNOMHRWRCDRNP-UHFFFAOYSA-N,2,1,0.402,54,670,434.822,3.41,5,0.414,0.72,0.999,0.6246487560825166,0.6579141251456377,0.4625625385511617,0.5722106092796929,0.5793340072647523
EOS-2-20951,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)c1,YEYNJGLENPGOGW-UHFFFAOYSA-N,2,1,0.477,55,434,434.822,3.41,5,0.387,0.69,1.0,0.8702624905763827,0.8443818107052292,0.6486532794188198,0.6385957096840518,0.7504733225961209
EOS-2-20952,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cncnc1,HCJJLICDFGMYOG-UHFFFAOYSA-N,2,1,0.489,4,208,434.822,3.41,5,0.414,0.76,1.0,0.7569649098759509,0.8479970529778631,0.6679202933315057,0.7019224179288602,0.743701168528545
EOS-2-20953,Fc1ccc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)cc1-c1ccncn1,VVNRFPOEOMFYQF-UHFFFAOYSA-N,2,1,0.512,16,772,434.822,3.41,5,0.387,0.65,1.0,0.9631793571379618,0.9093448015900213,0.6842231512576246,0.6761017065314234,0.8082122541292578
EOS-2-20954,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5cncnc5)n4)n23)ccc1Cl,RVEYUVNNCZEKSN-UHFFFAOYSA-N,2,1,0.523,73,817,434.822,3.41,5,0.414,0.66,1.0,0.8680008224247824,0.9465423891439929,0.6070180248098143,0.6415170310465356,0.7657695668562813
EOS-2-20955,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4nnccc4-c4cnccn4)n23)c1,ZAGVTTCZZMKZPB-UHFFFAOYSA-N,2,1,0.466,73,540,434.822,3.41,5,0.414,0.66,1.0,0.6219073401411829,0.7395226509492153,0.561870331025975,0.6415255979713522,0.6412064800219314
EOS-2-20956,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4ccnnc4)cn3)n12,JKQJEEIFZIIRGU-UHFFFAOYSA-N,2,1,0.53,73,969,434.822,3.41,5,0.414,0.71,1.0,0.7303903090946474,0.932869577136591,0.6397693783839353,0.6791001302172572,0.7455323487081078
EOS-2-20957,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1ccncn1,MTNQZDPKTFHOFS-UHFFFAOYSA-N,2,1,0.478,4,799,434.822,3.41,5,0.414,0.66,1.0,0.8264769378383935,0.8541138372969639,0.6189260503049825,0.6528939072030704,0.7381026831608526
EOS-2-20958,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccnc(-c4cncnc4)n3)n12,ARQJLJXEXLPDRD-UHFFFAOYSA-N,2,1,0.506,73,877,434.822,3.41,5,0.414,0.64,1.0,0.6663354122404221,0.7829740936193544,0.5184274552806525,0.5817541635254609,0.6373727811664726
EOS-2-20959,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ncccn4)nn3)n12,XXXLXLUQHGCFHI-UHFFFAOYSA-N,2,1,0.529,4,29,434.822,3.41,5,0.414,0.7,1.0,0.7332859296826811,0.9132341854567885,0.45903296552669454,0.5394678226303886,0.6612552258241382
EOS-2-20960,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)c2)nc1,ZTQFLFWHXZQGCZ-UHFFFAOYSA-N,2,1,0.462,2,422,434.822,3.41,5,0.387,0.68,1.0,0.644806730176136,0.6775495168254403,0.5721506408059763,0.5877681447467618,0.6205687581385786
EOS-2-20961,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)nc4)n23)c1,ZJIAHAQRDVTQPX-UHFFFAOYSA-N,2,1,0.461,55,283,434.822,3.41,5,0.387,0.77,1.0,0.8547477897333973,0.8114248509355082,0.5909893084778288,0.5909122061544788,0.7120185388253033
EOS-2-20962,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4cnccn4)nc3)n12,GPLNSSWLNCXWBP-UHFFFAOYSA-N,2,1,0.55,73,540,434.822,3.41,5,0.414,0.65,1.0,0.8967257213350696,0.9517682132821602,0.5521126036597903,0.6026831608525803,0.7508224247824001
EOS-2-20963,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2)nc1,IKIIWNSSYPTASG-UHFFFAOYSA-N,2,1,0.432,46,346,434.822,3.41,5,0.414,0.78,1.0,0.8362432321293949,0.730064765951614,0.5249982866150367,0.5625556850113084,0.6634654924268385
EOS-2-20964,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3cnc(-c4cnccn4)cn3)n12,UEMHOXVMYGPAQL-UHFFFAOYSA-N,2,1,0.519,73,540,434.822,3.41,5,0.414,0.62,1.0,0.6448152971009526,0.7871033513809883,0.5316547871975875,0.5940134329381125,0.6393967171544103
EOS-2-20965,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)n1,OZIGMEGCCCSIDZ-UHFFFAOYSA-N,2,1,0.456,54,670,434.822,3.41,5,0.387,0.71,0.992,0.5907922692070454,0.6006099650469467,0.5112398053594681,0.5817627304502776,0.5711011925159345
EOS-2-20966,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4cnccn4)cn3)n12,TUBZLXXRGBKSJN-UHFFFAOYSA-N,2,1,0.562,73,540,434.822,3.41,5,0.414,0.65,1.0,0.7483808512096498,0.9328781440614077,0.5782417243506272,0.6238520320745665,0.7208381879240627
EOS-2-20967,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cccnn1,FYEUFOMAZGAGGZ-UHFFFAOYSA-N,2,1,0.542,34,335,434.822,3.41,5,0.414,0.74,0.997,0.9259817695839901,0.962271263107395,0.4047443629634706,0.5163371256253855,0.7023336303200602
EOS-2-20968,Fc1cnc(COc2cncc3nnc(-c4ccccn4)n23)cc1-c1ccc(Cl)nn1,VALMFORSUYMNPI-UHFFFAOYSA-N,2,1,0.478,54,670,434.822,3.41,5,0.414,0.68,0.998,0.5493968884929066,0.5429202933315057,0.5005568501130834,0.5462356932355562,0.534777431293263
EOS-2-20969,Fc1cccc(-c2nnc3cncc(OCc4ccc(-c5cnccc5Cl)nn4)n23)n1,ZJEUNSXPDMNABE-UHFFFAOYSA-N,2,1,0.424,54,670,434.822,3.41,5,0.387,0.66,1.0,0.6051847028990474,0.5663593996299089,0.5005654170379,0.5817712973750943,0.5634702042354877
EOS-2-20970,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nn4)n23)cc1Cl,OJNKYQRLOVFBFN-UHFFFAOYSA-N,2,1,0.536,4,391,434.822,3.41,5,0.414,0.7,1.0,0.8054879720375574,0.8907203070385854,0.5005739839627168,0.5657939825920087,0.6906440614077172
EOS-2-20971,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ncn2)cn1,YXZPJKIRXBNSJV-UHFFFAOYSA-N,2,1,0.452,46,238,434.822,3.41,5,0.387,0.6,0.987,0.4954423959975327,0.5760485915975602,0.6007727366184634,0.6386042766088684,0.5777170002056062
EOS-2-20972,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)n2)cc1,YGIYUUYEDOODER-UHFFFAOYSA-N,2,1,0.443,4,208,434.822,3.41,5,0.414,0.78,0.934,0.602409019258447,0.6197484750873826,0.4870896443012816,0.5877767116715784,0.5742559625796724
EOS-2-20973,Fc1ccncc1-c1ncnc(COc2cncc3nnc(-c4ccccc4Cl)n23)n1,WGGGBSNZFGDZLW-UHFFFAOYSA-N,2,1,0.5,73,446,434.822,3.41,5,0.414,0.7,1.0,0.7332944966074978,0.7915067507367556,0.4338462065656912,0.5494568569666233,0.627026077719142
EOS-2-20974,Fc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1cncnc1,ZWWNRMNDXGJTIJ-UHFFFAOYSA-N,2,1,0.494,51,196,434.822,3.41,5,0.414,0.74,1.0,0.8841751764786512,0.8932903844835858,0.6247001576314166,0.6644506887807553,0.7666541018436022
EOS-2-20975,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,ZJSLUBSZOVLRKS-UHFFFAOYSA-N,2,1,0.472,46,181,434.822,3.41,5,0.414,0.71,1.0,0.5055599342060174,0.5760571585223768,0.5584949626482077,0.5848382564594613,0.5562375779590158
EOS-2-20976,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)n1,JESNCYQLHUOIQH-UHFFFAOYSA-N,2,1,0.477,55,434,434.822,3.41,5,0.306,0.66,1.0,0.6601415255979713,0.787111918305805,0.572159207730793,0.562564251936125,0.6454942258926736
EOS-2-20977,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)cn1,NJBGTVHBTLCYLT-UHFFFAOYSA-N,2,1,0.409,46,395,434.822,3.41,5,0.387,0.65,0.881,0.7148927421012953,0.6337468302378179,0.6428020697690358,0.6672263724213556,0.6646670036323761
EOS-2-20978,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,SEBCJRLOOVYFGU-UHFFFAOYSA-N,2,1,0.46,2,419,434.822,3.41,5,0.387,0.67,1.0,0.5389024055924885,0.6579226920704544,0.6159533273935988,0.6473254060722363,0.6150259577821945
EOS-2-20979,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)nn1,NRGFKFTVUIRMPC-UHFFFAOYSA-N,2,1,0.512,72,418,434.822,3.41,5,0.414,0.67,1.0,0.627604345144267,0.7658573778356521,0.5250068535398533,0.5691179494208759,0.621896631485162
EOS-2-20980,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccnnc5)n34)c2)cc1Cl,HXGQSBFYYHRFCF-UHFFFAOYSA-N,2,1,0.455,54,207,434.822,3.41,5,0.414,0.62,1.0,0.684600095949558,0.7023764649441436,0.7237338085120965,0.7704578164622027,0.7202920464670002
EOS-2-20981,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cn1,NVOUVOMGTCDKMM-UHFFFAOYSA-N,2,1,0.442,51,196,434.822,3.41,5,0.387,0.68,1.0,0.7333030635323144,0.8037745870742239,0.5149150161058187,0.5494654238914399,0.6503645226509492
EOS-2-20982,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cnn2)cn1,NBCPQHITBWLADY-UHFFFAOYSA-N,2,1,0.456,55,875,434.822,3.41,5,0.387,0.51,0.999,0.69968645055171,0.7163319854704955,0.6817558769104243,0.7130251524912617,0.7026998663559729
EOS-2-20983,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cnccn1,ANOFLZSLVUMZEP-UHFFFAOYSA-N,2,1,0.562,73,540,434.822,3.41,5,0.414,0.73,1.0,0.9286803509012405,0.9631879240627784,0.4264786512233569,0.5194897539579193,0.7094591700363237
EOS-2-20984,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)ccn1,PBAYNDWUUABWOF-UHFFFAOYSA-N,2,1,0.457,46,238,434.822,3.41,5,0.387,0.68,0.731,0.5005911178123501,0.5618531971763416,0.6007813035432801,0.6267219518881503,0.5724868926050305
EOS-2-20985,Fc1cc(-c2cnc(Cl)cn2)ccc1-c1nnc2cncc(OCc3cccnn3)n12,WXJYLZTZWGOXOF-UHFFFAOYSA-N,2,1,0.489,4,820,434.822,3.41,5,0.414,0.71,1.0,0.7512679048728669,0.8306575971489274,0.5909978754026455,0.6238605989993832,0.6991959941059558
EOS-2-20986,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4cncc(-c5cncnn5)c4)n23)c1,OFRKIGLLZFSPTQ-UHFFFAOYSA-N,2,1,0.456,16,772,434.822,3.41,5,0.414,0.71,1.0,0.7512764717976835,0.734810842300048,0.7237423754369131,0.7629874580220684,0.7432042868891782
EOS-2-20987,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccccc5Cl)n34)nn2)c1,XFBCVCXYISIHPD-UHFFFAOYSA-N,2,1,0.506,73,446,434.822,3.41,5,0.414,0.69,1.0,0.6192344595983825,0.7572561853197176,0.46257110547597835,0.5967548488794462,0.6089541498183811
EOS-2-20988,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c2)nn1,NSDGUCQLTOWJCA-UHFFFAOYSA-N,2,1,0.456,72,506,434.822,3.41,5,0.414,0.67,1.0,0.5791669522308273,0.6922589267356589,0.5316633541224042,0.5722191762045097,0.59382710232335
EOS-2-20989,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)nn1,FDBMTOATNZMSDY-UHFFFAOYSA-N,2,1,0.422,46,88,434.822,3.41,5,0.387,0.63,1.0,0.6538191350832705,0.5479319443492564,0.6007898704680967,0.615327941881982,0.6044672229456515
EOS-2-20990,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cnc(-c4cnccn4)cn3)n12,JSIGMELEDDWABU-UHFFFAOYSA-N,2,1,0.462,46,540,434.822,3.41,5,0.414,0.8,1.0,0.7483894181344665,0.7348194092248647,0.5942618737577959,0.652902474127887,0.6825932938112536
EOS-2-20991,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)cn1,SYIBWYAHQQQMRQ-UHFFFAOYSA-N,2,1,0.5,51,19,434.822,3.41,5,0.387,0.64,1.0,0.882247618394901,0.8746487560825166,0.5555822082105407,0.5658025495168254,0.719570283051196
EOS-2-20992,Fc1cc(-c2nnc3cncc(OCc4ccnnc4)n23)ccc1-c1cnc(Cl)nc1,MKDYMRQRDIXYDR-UHFFFAOYSA-N,2,1,0.524,16,716,434.822,3.41,5,0.387,0.69,1.0,0.9180230964293057,0.8659361935439654,0.7390600370091152,0.7262524844081968,0.8123179528476457
EOS-2-20993,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2Cl)cn1,VWEUCUXINQHGHL-UHFFFAOYSA-N,2,1,0.524,2,716,434.822,3.41,5,0.387,0.64,1.0,0.7860153519292715,0.8690802549516825,0.6735573298608731,0.6701733945582894,0.7497065828250291
EOS-2-20994,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)cn1,QBQOEVREKDZKCF-UHFFFAOYSA-N,2,1,0.488,55,283,434.822,3.41,5,0.387,0.72,1.0,0.8387362072510451,0.815425604824892,0.5910064423274621,0.602691727777397,0.7119649955451991
EOS-2-20995,Fc1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1cncnn1,UEPOKUNSMOVSDI-UHFFFAOYSA-N,2,1,0.517,16,55,434.822,3.41,5,0.387,0.62,1.0,0.9078455897471044,0.8633404153245151,0.7490747721197999,0.7704663833870194,0.8226817901446096
EOS-2-20996,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)c1,FWLFMTVSKVQNAL-UHFFFAOYSA-N,2,1,0.472,46,726,434.822,3.41,5,0.414,0.71,0.659,0.5337965184017545,0.5813001165101775,0.5878195462956617,0.6358542937427181,0.5846926187375779
EOS-2-20997,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,PIXHSPHDTAYYRZ-UHFFFAOYSA-N,2,1,0.465,55,540,434.822,3.41,5,0.387,0.62,1.0,0.8567867178397642,0.8571893633061476,0.6572801727092044,0.6502038928106367,0.7553650366664383
EOS-2-20998,Cc1nc(-c2ccnnc2)cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)n1,YRDKUPQASCNLCK-UHFFFAOYSA-N,2,1,0.402,13,251,434.822,3.932,5,0.419,0.72,1.0,0.6107617709546981,0.6006185319717634,0.6007984373929134,0.6326245630868343,0.6112008258515522
EOS-2-20999,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3cnc(-c4cncnc4)cn3)n12,OMFVQBZHTDXSRH-UHFFFAOYSA-N,2,1,0.477,73,877,434.822,3.41,5,0.414,0.68,1.0,0.6663439791652388,0.7700723048454526,0.6038825303269139,0.647333972997053,0.6719081968336645
EOS-2-21000,Fc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,CUHGEQVVHGMFED-UHFFFAOYSA-N,2,1,0.418,46,160,434.822,3.41,5,0.306,0.68,1.0,0.7116630114454116,0.5866030429716949,0.659995887876088,0.6415341648961689,0.6499490267973408
EOS-2-21001,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)nc1,PDMCNDCDOWEZGR-UHFFFAOYSA-N,2,1,0.482,55,930,434.822,3.41,5,0.414,0.72,1.0,0.8501473511068467,0.819169350969776,0.5316719210472209,0.5691265163456926,0.6925287848673841
EOS-2-21002,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1Cl,JFTPTGLAVBRXAW-UHFFFAOYSA-N,2,1,0.551,51,969,434.822,3.41,5,0.414,0.76,1.0,0.9125316976218216,0.9245853608388733,0.6735658967856898,0.6962939483243095,0.8017442258926736
EOS-2-21003,Fc1cc(-c2nnc3cncc(OCc4cnccn4)n23)ccc1-c1cnc(Cl)cn1,QLYATUMTYBFPPM-UHFFFAOYSA-N,2,1,0.5,7,815,434.822,3.41,5,0.414,0.62,1.0,0.8082036872044411,0.8480056199026798,0.6218559385922829,0.6358628606675348,0.7284820265917347
EOS-2-21004,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)nc1,MVILDZIVTICMNK-UHFFFAOYSA-N,2,1,0.542,73,82,434.822,3.41,5,0.414,0.72,1.0,0.8784696045507505,0.9497721197998766,0.49360050716194914,0.5658111164416421,0.7219133369885546
EOS-2-21005,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2)nn1,SLDZPGBKKHDJOO-UHFFFAOYSA-N,2,1,0.477,72,22,434.822,3.41,5,0.387,0.67,1.0,0.847971352203413,0.8480141868274964,0.4970358440134329,0.5363494619971215,0.6823427112603659
EOS-2-21006,Fc1cc(COc2cncc3nnc(-c4cnc(-c5cccnc5)nn4)n23)ccc1Cl,BMGVXNCHOPVTOK-UHFFFAOYSA-N,2,1,0.61,46,294,434.822,3.41,5,0.414,0.74,1.0,0.7801470084298541,0.7300733328764307,0.5721677746556096,0.6502124597354534,0.683150143924337
EOS-2-21007,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2)cn1,VXOADFFSGYBIOL-UHFFFAOYSA-N,2,1,0.471,16,19,434.822,3.41,5,0.306,0.71,1.0,0.8951751079432527,0.8746573230073333,0.5585035295730245,0.5658196833664588,0.7235389109725173
EOS-2-21008,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nc1Cl,YQQGQLRMKQLQMM-UHFFFAOYSA-N,2,1,0.471,51,379,434.822,3.41,5,0.387,0.73,1.0,0.8878846549242684,0.8409978754026455,0.5782502912754438,0.6059642930573641,0.7282742786649306
EOS-2-21009,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cn2)nc1,IJOUGBYMDQGVPG-UHFFFAOYSA-N,2,1,0.5,55,930,434.822,3.41,5,0.387,0.66,1.0,0.8615156603385649,0.8958261942293194,0.5285535604139538,0.5494739908162566,0.7088423514495237
EOS-2-21010,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)nc1,KAVLVMUMGJQHRC-UHFFFAOYSA-N,2,1,0.463,51,196,434.822,3.41,5,0.414,0.74,1.0,0.7483979850592831,0.8114334178603249,0.4590415324515112,0.5092779795764513,0.6320377287368926
EOS-2-21011,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4cnccn4)cn3)n12,PDPXRMKWKFOMQV-UHFFFAOYSA-N,2,1,0.53,51,969,434.822,3.41,5,0.414,0.7,1.0,0.7801555753546707,0.9387807552600919,0.5653913371256254,0.6153365088067987,0.7249160441367966
EOS-2-21012,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)nc1,FWWSCZBMVMZYHI-UHFFFAOYSA-N,2,1,0.541,73,19,434.822,3.41,5,0.414,0.73,1.0,0.9094047700637379,0.8633489822493318,0.4413422657802755,0.4748646425878966,0.6722401651703105
EOS-2-21013,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cc(-c4cncnc4)ncn3)n12,SGMPCOZQJMUHEE-UHFFFAOYSA-N,2,1,0.529,73,817,434.822,3.41,5,0.414,0.66,1.0,0.7540778562127339,0.9297083818792407,0.6764101158248236,0.6990524981152766,0.7648122130080187
EOS-2-21014,Fc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cncnc1,IAZSQXDKIFWVSI-UHFFFAOYSA-N,2,1,0.429,46,959,434.822,3.41,5,0.387,0.67,1.0,0.7943766705503392,0.7071054074429443,0.6652731135631553,0.6672349393461723,0.7084975327256529
EOS-2-21015,Fc1ccc(-c2ncnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nc1,RZGNWLKWSPKPRG-UHFFFAOYSA-N,2,1,0.542,73,335,434.822,3.41,5,0.414,0.71,1.0,0.9412651634569255,0.9613460352271949,0.42648721814817353,0.5363580289219382,0.7163641114385579
EOS-2-21016,Fc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cncnc1,DFXSFGPAWULVBR-UHFFFAOYSA-N,2,1,0.413,46,435,434.822,3.41,5,0.387,0.68,1.0,0.8362517990542115,0.7116801452950449,0.6600044548009046,0.6821927900760743,0.7225322973065589
EOS-2-21017,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)cn2)ccn1,MHYQWDVFOATPMJ-UHFFFAOYSA-N,2,1,0.451,55,390,434.822,3.41,5,0.306,0.66,1.0,0.6024175861832637,0.7529213213624837,0.5782588582002605,0.5752775683640601,0.627218833527517
EOS-2-21018,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)c1,NYUBLXBIXPHNPG-UHFFFAOYSA-N,2,1,0.483,24,617,434.822,3.41,5,0.414,0.68,1.0,0.6508549790967034,0.7348279761496813,0.5112483722842849,0.5658282502912755,0.6156898944554863
EOS-2-21019,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cnc(Cl)nc5)c4)n23)cn1,HGPCLLFJQFVELF-UHFFFAOYSA-N,2,1,0.5,55,434,434.822,3.41,5,0.306,0.7,1.0,0.8237954903707765,0.7441487903502159,0.665281680487972,0.6358714275923515,0.717274347200329
EOS-2-21020,Fc1ncncc1-c1ccnc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,XQFCHGNBPBQSMY-UHFFFAOYSA-N,2,1,0.394,46,62,434.822,3.41,5,0.387,0.65,1.0,0.714901309026112,0.6150795010622987,0.6735744637105064,0.6906226440956754,0.6735444794736481
EOS-2-21021,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1Cl,MQACYZSXKGAHMO-UHFFFAOYSA-N,2,1,0.455,24,786,434.822,3.41,5,0.387,0.74,1.0,0.7687958330477692,0.7871204852306216,0.4081539990405044,0.45309608662874373,0.6042916009869097
EOS-2-21022,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4cncnc4)nn3)n12,KRPLIIYRSKEBOP-UHFFFAOYSA-N,2,1,0.517,4,10,434.822,3.41,5,0.414,0.64,1.0,0.7303988760194641,0.9025512302104036,0.6274158727983004,0.6730176135974231,0.7333458981563978
EOS-2-21023,Fc1ccncc1COc1cncc2nnc(-c3ccnc(-c4cnc(Cl)nc4)c3)n12,SBQBJPHOJKWPPD-UHFFFAOYSA-N,2,1,0.477,2,434,434.822,3.41,5,0.387,0.67,1.0,0.8501559180316633,0.7915153176615722,0.6817644438352409,0.670181961483106,0.7484044102528956
EOS-2-21024,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)cn4)n23)ccc1Cl,ZBMULDJJYOTXAC-UHFFFAOYSA-N,2,1,0.523,73,391,434.822,3.41,5,0.414,0.69,1.0,0.80003084092934,0.9373415118908917,0.6038910972517305,0.6473425399218696,0.7471514974984579
EOS-2-21025,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,KJJCVUPREDJDHF-UHFFFAOYSA-N,2,1,0.418,55,511,434.822,3.41,5,0.387,0.66,1.0,0.6508635460215201,0.6053560413953807,0.6707045438969228,0.7130337194160784,0.6599894626824755
EOS-2-21026,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1cncnc1,GGQAEONCBOBPFC-UHFFFAOYSA-N,2,1,0.5,2,817,434.822,3.41,5,0.414,0.65,1.0,0.8211740113768762,0.8341443355493112,0.6842317181824412,0.6990610650400932,0.7596527825371805
EOS-2-21027,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)c1,YSPMBTIUVUHMEO-UHFFFAOYSA-N,2,1,0.472,55,875,434.822,3.41,5,0.414,0.68,1.0,0.6846086628743746,0.7572647522445343,0.5555907751353574,0.6027002947022136,0.65004112123912
EOS-2-21028,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cc1Cl,LUXJTCAQJSNQQQ-UHFFFAOYSA-N,2,1,0.483,54,411,434.822,3.41,5,0.414,0.68,1.0,0.562358645740525,0.6150880679871154,0.5686639024055925,0.6211620176821329,0.5918181584538413
EOS-2-21029,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)cn1,MLAMHKRIAGZNNR-UHFFFAOYSA-N,2,1,0.477,55,434,434.822,3.41,5,0.306,0.67,1.0,0.6390925913234186,0.7484922212322664,0.5753461037625934,0.5722277431293263,0.6337896648619011
EOS-2-21030,Fc1cc(-c2ccc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)nc2)ccn1,BGHRJJHCBSNKMJ-UHFFFAOYSA-N,2,1,0.524,2,434,434.822,3.41,5,0.306,0.68,1.0,0.5735898841751764,0.7700808717702693,0.639777945308752,0.632633130011651,0.6540204578164621
EOS-2-21031,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)cc1Cl,PVIVUAJMZPHUKC-UHFFFAOYSA-N,2,1,0.556,46,488,434.822,3.41,5,0.414,0.74,0.998,0.7801641422794874,0.6922674936604757,0.6735830306353231,0.6990696319649099,0.711271074635049
EOS-2-21032,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)nc1,WGUSUDFDVXNEKQ-UHFFFAOYSA-N,2,1,0.58,73,420,434.822,3.41,5,0.414,0.68,1.0,0.6276129120690837,0.682381262422041,0.48709821122609825,0.5259492152696867,0.5807604002467275
EOS-2-21033,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)cn1,VWCGCDZUVWPLKT-UHFFFAOYSA-N,2,1,0.422,55,94,434.822,3.41,5,0.387,0.71,1.0,0.6567832910698376,0.7700894386950861,0.5686724693304092,0.5940219998629293,0.6473917997395655
EOS-2-21034,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)nn1,GUHOVVBTNXBXDN-UHFFFAOYSA-N,2,1,0.472,4,875,434.822,3.41,5,0.387,0.63,1.0,0.5338050853265712,0.6006270988965801,0.5721763415804263,0.59983037488863,0.576609725173052
EOS-2-21035,Fc1cccnc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cnn1,HGGKCBFXZJALGX-UHFFFAOYSA-N,2,1,0.451,55,511,434.822,3.41,5,0.414,0.7,1.0,0.6663525460900556,0.687410047289425,0.5753546706874101,0.6415427318209855,0.642664998971969
EOS-2-21036,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4cnccn4)ncn3)n12,UYIRDULFBOOFFH-UHFFFAOYSA-N,2,1,0.422,46,726,434.822,3.41,5,0.414,0.73,0.91,0.7025906380645603,0.6726064012062231,0.6486618463436364,0.6906312110204921,0.6786225241587279
EOS-2-21037,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)cn1,XAGQZWXVMZNLLW-UHFFFAOYSA-N,2,1,0.402,13,907,434.822,3.932,5,0.419,0.66,0.952,0.672477897333973,0.6483106024261531,0.627424439723117,0.6326416969364677,0.6452136591049277
EOS-2-21038,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nn1,HTIRWMFJQJVSLJ-UHFFFAOYSA-N,2,1,0.554,4,32,434.822,3.41,5,0.414,0.67,1.0,0.7943852374751559,0.9311818929477075,0.5184360222054691,0.596763415804263,0.7101916421081489
EOS-2-21039,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)nc1,KTDCIRDUBCSWSP-UHFFFAOYSA-N,2,1,0.518,55,434,434.822,3.41,5,0.387,0.75,1.0,0.702599204989377,0.830666164073744,0.6008070043177302,0.5940305667877459,0.6820257350421493
EOS-2-21040,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nc1,VTJHLPQEPPCGQK-UHFFFAOYSA-N,2,1,0.562,73,156,434.822,3.41,5,0.414,0.76,1.0,0.8590912206154478,0.9497806867246933,0.444888972654376,0.5363665958467548,0.6975318689603179
EOS-2-21041,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1Cl,GRUOPUPTNGOTIS-UHFFFAOYSA-N,2,1,0.416,51,379,434.822,3.41,5,0.387,0.72,1.0,0.6934325954355425,0.7611884038105682,0.4902851072578987,0.5259577821945035,0.6177159721746281
EOS-2-21042,Fc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cncnc1,SQWSOAKNIVIBCO-UHFFFAOYSA-N,2,1,0.419,46,122,434.822,3.41,5,0.387,0.69,1.0,0.6448238640257693,0.657931258995271,0.5813686519087109,0.6090997875402645,0.623305890617504
EOS-2-21043,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cn5)n4)n23)cc1,CXGUFZSJFHMZHJ-UHFFFAOYSA-N,2,1,0.562,73,156,434.822,3.41,5,0.414,0.79,1.0,0.8525289562058803,0.9227777397025564,0.4413508327050922,0.5296758275649373,0.6865833390446165
EOS-2-21044,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5cnccn5)n4)n23)ccc1Cl,BQAXGHMVCOQKOE-UHFFFAOYSA-N,2,1,0.529,73,540,434.822,3.41,5,0.414,0.71,1.0,0.8362603659790282,0.9475789870468097,0.541960797752039,0.5877852785963951,0.728396357343568
EOS-2-21045,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)cn1,CKYMMVFQQHZZSJ-UHFFFAOYSA-N,2,1,0.518,55,434,434.822,3.41,5,0.387,0.66,1.0,0.6846172297991913,0.7995339592899733,0.6070265917346309,0.6027088616270304,0.6734716606127065
EOS-2-21046,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nn2)c1,WYGQAUHVWMBRRA-UHFFFAOYSA-N,2,1,0.456,54,670,434.822,3.41,5,0.387,0.72,0.992,0.584975327256528,0.5960180933452128,0.5079244054554177,0.584846823384278,0.5684411623603591
EOS-2-21047,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cnn2)cc1,YYVOLJSSGDCMFN-UHFFFAOYSA-N,2,1,0.461,4,212,434.822,3.41,5,0.414,0.49,1.0,0.5818826673977109,0.7441573572750325,0.5942704406826126,0.6585052429579878,0.6447039270783359
EOS-2-21048,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4ccnnc4)cn3)n12,IPKTVOFMXSWYJW-UHFFFAOYSA-N,2,1,0.523,73,212,434.822,3.41,5,0.414,0.66,1.0,0.6846257967240079,0.9132427523816051,0.6486704132684532,0.685114111438558,0.7329132684531561
EOS-2-21049,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ccnnc5)cn4)n23)ccc1Cl,PJTPPVHHAZJCMA-UHFFFAOYSA-N,2,1,0.529,73,401,434.822,3.41,5,0.414,0.73,1.0,0.7743900349530533,0.9328867109862243,0.6897745185388253,0.7102751696251114,0.7768316085258036
EOS-2-21050,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)nc1,RSWPOVHBRWWSPN-UHFFFAOYSA-N,2,1,0.438,55,786,434.822,3.41,5,0.414,0.65,1.0,0.7116715783702282,0.7915238845863889,0.5112569392091015,0.5526780206976903,0.6417826057158523
EOS-2-21051,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cn1,NLIUANDFEJCRFN-UHFFFAOYSA-N,2,1,0.462,46,207,434.822,3.41,5,0.387,0.65,1.0,0.4586645877595778,0.5570814200534576,0.6274330066479337,0.6822013570008909,0.581345092865465
EOS-2-21052,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nn2)nc1,GJYVHZBVQUFXKV-UHFFFAOYSA-N,2,1,0.471,54,411,434.822,3.41,5,0.414,0.62,0.958,0.5362894935234048,0.6006356658213967,0.48710677815091497,0.5784558974710438,0.5506219587416901
EOS-2-21053,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)c1,XYXLWIAXMVBINI-UHFFFAOYSA-N,2,1,0.529,55,434,434.822,3.41,5,0.387,0.64,1.0,0.6508721129463367,0.8114419847851415,0.6038996641765472,0.6059728599821808,0.6680466554725515
EOS-2-21054,Fc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccccn1,WOOQDKRQVNRWGC-UHFFFAOYSA-N,2,1,0.444,46,799,434.822,3.41,5,0.387,0.64,1.0,0.6303029264615174,0.6337553971626345,0.4229062435748064,0.4808100884106641,0.5419436639024056
EOS-2-21055,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cncnc1,OIHGMJNWJXZQAV-UHFFFAOYSA-N,2,1,0.549,73,817,434.822,3.41,5,0.414,0.74,1.0,0.9234373929134397,0.9606435473922281,0.5040692892879172,0.5817798642999109,0.742482523473374
EOS-2-21056,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccc5Cl)nn4)n23)nc1,VXDSJAOXICXTKD-UHFFFAOYSA-N,2,1,0.488,54,670,434.822,3.41,5,0.414,0.65,1.0,0.5818912343225275,0.6197570420121993,0.552121170584607,0.6326502638612843,0.5966049276951545
EOS-2-21057,Fc1ccc(COc2cncc3nnc(-c4cnnc(-c5cncnc5)c4)n23)cc1Cl,JVIAYKXROQRYTG-UHFFFAOYSA-N,2,1,0.612,59,294,434.822,3.41,5,0.414,0.56,1.0,0.805496538962374,0.8231958056336097,0.7676735658967857,0.7845418408608046,0.7952269378383935
EOS-2-21058,COc1cc(Cl)ccc1-c1nnc2cncc(-c3cnc(-c4ccc(F)nn4)cn3)n12,ZVHPOVUVTJLXRY-UHFFFAOYSA-N,2,1,0.39,50,985,434.822,3.506,5,0.423,0.69,1.0,0.49796107189363303,0.6006442327462134,0.5521297375094236,0.5817884312247276,0.5581308683434993
EOS-2-21059,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)nn2)c1,LVSMIQAMSKQJQF-UHFFFAOYSA-N,2,1,0.398,54,691,434.822,3.41,5,0.387,0.8,0.989,0.5818998012473443,0.6823898293468577,0.4190168597080392,0.5332568021383044,0.5541408231101363
EOS-2-21060,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cncc(-c4cncnc4)c3)n12,OJXAFDBNEKBYGJ-UHFFFAOYSA-N,2,1,0.483,2,419,434.822,3.41,5,0.414,0.66,1.0,0.6219159070659996,0.6775580837502571,0.6679288602563224,0.6936639024055925,0.6652666883695428
EOS-2-21061,Fc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,ZVTCOAOZGNSPGN-UHFFFAOYSA-N,2,1,0.536,4,534,434.822,3.41,5,0.414,0.72,1.0,0.7599376327873346,0.9428757453224591,0.6070351586594476,0.6585138098828045,0.7420905866630114
EOS-2-21062,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)cn1,SDOJPAMWGDIQPT-UHFFFAOYSA-N,2,1,0.523,4,354,434.822,3.41,5,0.414,0.66,1.0,0.8547563566582139,0.9486926872729765,0.5782674251250771,0.6238691659241998,0.7513964087451168
EOS-2-21063,Fc1cncc(-c2cnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)c1,WEFYSGJBEBFXAP-UHFFFAOYSA-N,2,1,0.422,46,565,434.822,3.41,5,0.387,0.69,1.0,0.7716486190117195,0.7071139743677609,0.6189346172297991,0.6585223768076212,0.6890548968542252
EOS-2-21064,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5ccncn5)n4)n23)ccc1Cl,XADOJCQSVAUTBN-UHFFFAOYSA-N,2,1,0.517,73,391,434.822,3.41,5,0.414,0.7,1.0,0.8859656637653348,0.9465509560688096,0.572184908505243,0.6059814269069974,0.7526707388115963
EOS-2-21065,Fc1cc(-c2cncnc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,JIAODXGRSCORJA-UHFFFAOYSA-N,2,1,0.477,4,208,434.822,3.41,5,0.414,0.68,1.0,0.7391371393324652,0.8154341717497087,0.6458775957782195,0.6822099239257077,0.7206647076965254
EOS-2-21066,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cncnc1,IXHSFBMPHPVXKC-UHFFFAOYSA-N,2,1,0.518,4,208,434.822,3.41,5,0.414,0.7,1.0,0.7774227263381537,0.8114505517099582,0.6627201699677884,0.6936724693304092,0.7363164793365773
EOS-2-21067,Fc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1cnc(Cl)nc1,SWCVOXCBMALLSW-UHFFFAOYSA-N,2,1,0.542,4,716,434.822,3.41,5,0.387,0.68,1.0,0.8000394078541567,0.8480227537523131,0.6486789801932699,0.6557381262422041,0.738119817010486
EOS-2-21068,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nc2)nn1,AWDHJVRBLJSMOI-UHFFFAOYSA-N,2,1,0.438,46,959,434.822,3.41,5,0.387,0.64,0.999,0.7599461997121513,0.6726149681310397,0.6008155712425468,0.6091083544650813,0.6606212733877048
EOS-2-21069,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2)nc1,DLXAILOMMZBQDR-UHFFFAOYSA-N,2,1,0.471,46,775,434.822,3.41,5,0.414,0.76,1.0,0.6276214789939003,0.7023850318689603,0.4762439174833802,0.5129960249468851,0.5798116133232815
EOS-2-21070,Fc1c(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccnc1-c1cncnc1,UNISOUOZLCYICV-UHFFFAOYSA-N,2,1,0.455,55,435,434.822,3.41,5,0.387,0.61,1.0,0.7361301487218148,0.7700980056199027,0.6600130217257213,0.6701905284079227,0.7091079261188403
EOS-2-21071,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)ccn1,GTBCTIWMPBBWAP-UHFFFAOYSA-N,2,1,0.444,4,208,434.822,3.41,5,0.387,0.69,1.0,0.5966177780823796,0.7207867863751628,0.565399904050442,0.5967719827290796,0.619894112809266
EOS-2-21072,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cnccn1,DVQGQCNMHYIDNU-UHFFFAOYSA-N,2,1,0.488,51,196,434.822,3.41,5,0.414,0.7,1.0,0.9063720786786376,0.8718902062915496,0.5521383044342403,0.5940391337125626,0.7311099307792475
EOS-2-21073,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,URDJJEDOCTXCKU-UHFFFAOYSA-N,2,1,0.402,46,157,434.822,3.41,5,0.387,0.73,1.0,0.5130559934206017,0.5570899869782743,0.5585120964978412,0.5998389418134467,0.557124254677541
EOS-2-21074,Fc1nccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)n1,MOKOREYXHWLOEA-UHFFFAOYSA-N,2,1,0.566,24,199,434.822,3.41,5,0.387,0.67,1.0,0.6024261531080803,0.6823983962716743,0.555599342060174,0.5625728188609417,0.6007491775752175
EOS-2-21075,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1,MHRCJFGRRXUQAU-UHFFFAOYSA-N,2,1,0.455,55,208,434.822,3.41,5,0.387,0.73,1.0,0.6331214447262011,0.7529298882873003,0.5618788979507916,0.5909207730792955,0.6347127510108971
EOS-2-21076,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nn1,NWTNNEKOUBZSBU-UHFFFAOYSA-N,2,1,0.414,54,691,434.822,3.41,5,0.414,0.7,0.999,0.6724864642587897,0.6874186142142417,0.4081625659653211,0.5259663491193202,0.5735084983894181
EOS-2-21077,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccccn5)n34)cc(Cl)n2)cn1,XKUZTDVRPTXHAT-UHFFFAOYSA-N,2,1,0.622,24,486,434.822,3.41,5,0.387,0.7,0.963,0.5105972859982181,0.6677232540607224,0.5040778562127339,0.5296843944897539,0.5530206976903571
EOS-2-21078,Fc1cc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ccn2)ccn1,JRYMYLWDGZELJG-UHFFFAOYSA-N,2,1,0.433,75,183,434.822,3.41,5,0.306,0.67,1.0,0.6846343636488246,0.6874271811390583,0.5316804879720376,0.5658368172160921,0.6173947124940031
EOS-2-21079,Fc1cnc(-c2cnccn2)cc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,URAAEISQCONVRA-UHFFFAOYSA-N,2,1,0.524,73,540,434.822,3.41,5,0.414,0.65,1.0,0.647899390034953,0.7300818998012474,0.5753632376122267,0.6059899938318142,0.6398336303200604
EOS-2-21080,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cn2)cc1Cl,XMCGYGXPPRXYGR-UHFFFAOYSA-N,2,1,0.483,55,875,434.822,3.41,5,0.387,0.68,0.987,0.6787146186005072,0.7611969707353848,0.6039082311013638,0.6211705846069495,0.6662476012610514
EOS-2-21081,Fc1cncc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4cncnc4)c3)n12,VXPUFAAILMCPPE-UHFFFAOYSA-N,2,1,0.488,2,980,434.822,3.41,5,0.414,0.63,1.0,0.7774312932629703,0.7485007881570831,0.7055633609759441,0.7130422863408951,0.7361344321842231
EOS-2-21082,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc(-c2ncccn2)n1,QMNMTCFMTOVKBF-UHFFFAOYSA-N,2,1,0.562,4,539,434.822,3.41,5,0.387,0.76,1.0,0.9063806456034542,0.959795421835378,0.36764101158248236,0.4594613117675279,0.6733195976972106
EOS-2-21083,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,BUALSXMURJNMCB-UHFFFAOYSA-N,2,1,0.416,46,565,434.822,3.41,5,0.387,0.67,1.0,0.6508806798711535,0.6337639640874512,0.6817730107600576,0.710283736549928,0.6691753478171476
EOS-2-21084,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCc4ccncc4Cl)n23)nn1,FYDPOVLDEJYFQZ-UHFFFAOYSA-N,2,1,0.411,54,411,434.822,3.41,5,0.387,0.76,0.977,0.7333116304571311,0.6922760605852923,0.5878281132204783,0.6443955177849359,0.6644528305119595
EOS-2-21090,COc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,UTXOVWKJXZZIMG-UHFFFAOYSA-N,2,1,0.61,48,17,434.805,5.051,4,0.44,0.78,1.0,0.995176821328216,0.982874717291481,0.9955880337194161,0.9889743677609485,0.9906534850250155
EOS-2-21096,COc1ccccc1COc1cncc2nnc(-c3ccc(Cl)c(C(F)(F)F)c3)n12,XPELQBUUUDETRN-UHFFFAOYSA-N,2,1,0.575,48,17,434.805,5.051,4,0.44,0.83,1.0,0.9888544308135152,0.982283599479131,0.995048317455966,0.9845966691796313,0.9876957542320608
EOS-2-21099,N#Cc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)c(F)c5)n4)n23)cc1F,SCRZESSKYNMCTB-UHFFFAOYSA-N,2,1,0.357,22,331,434.797,3.842,5,0.428,0.61,1.0,0.21091768898636146,0.48350866972791445,0.9137225001713385,0.9424473990816257,0.63764906449181
EOS-2-21100,N#Cc1cc(-c2nnc3cncc(-c4ocnc4-c4ccc(F)c(F)c4)n23)ccc1Cl,ACADSOUQSLLVPM-UHFFFAOYSA-N,2,1,0.374,45,102,434.793,4.917,5,0.4,0.75,0.998,0.44710780618189294,0.7116887122198615,0.9664433554931122,0.9769806730176136,0.7755551367281202
EOS-2-21101,Fc1cc(Br)ccc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,NKIUOUVIFCLFLY-UHFFFAOYSA-N,2,1,0.826,48,17,465.229,4.873,4,0.407,0.81,1.0,0.9988605989993832,0.9921012953190322,0.9880919745048318,0.9835258035775478,0.9906449181001987
EOS-2-21102,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(Br)cc4)n23)cc1,DMTGKSWVRRIOHI-UHFFFAOYSA-N,2,1,0.848,48,444,465.229,5.031,4,0.414,0.86,1.0,0.9970358440134329,0.9838085120964979,0.9940202864779659,0.9870125419779316,0.9904692961414572
EOS-2-21103,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4Br)n23)cc1,XKHGZUWUKACHEK-UHFFFAOYSA-N,2,1,0.704,48,444,465.229,5.031,4,0.414,0.83,1.0,0.994919813583716,0.987286683572065,0.9933434994174491,0.985401960112398,0.990237989171407
EOS-2-21104,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(Br)cc4F)n23)nn1,DQTRUBUFSNTEKJ-UHFFFAOYSA-N,2,1,0.441,45,730,465.261,4.956,5,0.377,0.75,1.0,0.36795798780069905,0.6197656089370159,0.894883832499486,0.9338462065656912,0.704113408950723
EOS-2-21105,N#Cc1cc(-c2nnc3cncc(OCc4nc(-c5ncc(Cl)cn5)n[nH]4)n23)ccc1Cl,OKXLZOMPQZAWQZ-UHFFFAOYSA-N,2,1,0.462,73,82,465.264,3.124,5,0.414,0.68,1.0,0.7569734768007675,0.7529384552121171,0.3527773970255637,0.49903193749571656,0.5904303166335412
EOS-2-21106,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)c(Br)c1,KUVZMUGOFKYNJV-UHFFFAOYSA-N,2,1,0.466,7,212,465.271,3.281,5,0.385,0.66,1.0,0.5517956274415736,0.5813086834349942,0.22456480021931327,0.21770269344116236,0.3938429511342609
EOS-2-21107,N#Cc1cc(-c2nnc3cncc(OCc4ccnc5cc(Cl)c(F)cc45)n23)ccc1Cl,ZJCXPVFPJHJWDJ-UHFFFAOYSA-N,2,1,0.535,59,607,465.275,5.236,5,0.361,0.67,1.0,0.9771348776643136,0.9815211431704476,0.9777174285518471,0.984605236104448,0.9802446713727642
EOS-2-21108,Fc1cc(Br)ccc1-c1nnc2cncc(OCc3ccc(-n4cccc4)cn3)n12,LQRDPVJDLFUDMK-UHFFFAOYSA-N,2,1,0.58,34,10,465.286,4.458,5,0.384,0.61,1.0,0.5849838941813447,0.697159207730793,0.8148516208621753,0.8068843807826742,0.7259697758892467
EOS-2-21109,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)ccc1-c1cncnc1,ORZIQELKPABWPO-UHFFFAOYSA-N,2,1,0.625,13,209,465.3,5.356,5,0.346,0.7,1.0,0.8967342882598862,0.8037831539990405,0.9176375848125556,0.907802755123021,0.881489445548626
EOS-2-21110,COc1cc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1cccnn1,UFANAMJHIXZTDO-UHFFFAOYSA-N,2,1,0.494,13,209,465.3,5.356,5,0.346,0.71,1.0,0.7453310259749161,0.7829826605441711,0.8741347405935166,0.8705708998697828,0.8182548317455967
EOS-2-21111,OCc1cc(-c2ccc(Cl)cn2)cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)n1,LEWUEEMXKORWGK-UHFFFAOYSA-N,2,1,0.478,13,573,465.3,4.84,5,0.397,0.72,1.0,0.4954509629223494,0.615096634911932,0.7940082927832225,0.8591854567884313,0.6909353368514838
EOS-2-21112,COc1cc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1cncnc1,OYRCSBFIOUYXMC-UHFFFAOYSA-N,2,1,0.512,13,209,465.3,5.356,5,0.346,0.66,1.0,0.8000479747789734,0.7915324515112055,0.9090620930710712,0.9010006168185868,0.8504107840449592
EOS-2-21113,Oc1cc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)ccc1-c1cccc(Cl)c1,BMJZUDYJWKVEAF-UHFFFAOYSA-N,2,1,0.534,1,92,465.3,4.84,5,0.371,0.63,1.0,0.7743986018778699,0.8718987732163662,0.8166506750736755,0.8489822493317799,0.8279825748749229
EOS-2-21114,COc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)nc2)c1,YLWCEVBIMWYLPY-UHFFFAOYSA-N,2,1,0.422,13,110,465.3,5.356,5,0.346,0.81,1.0,0.6508892467959702,0.6197741758618326,0.8741433075183332,0.8736292920293331,0.7546090055513672
EOS-2-21115,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cnc(Cl)nc5)c4)n23)ccn1,ZRBYGLVYTHJZMG-UHFFFAOYSA-N,2,1,0.542,75,496,465.304,3.967,5,0.274,0.69,1.0,0.80005654170379,0.8269909533273936,0.6039167980261805,0.632658830786101,0.7159057809608663
EOS-2-21116,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)nc1,WNCZUAFGLHWUMU-UHFFFAOYSA-N,2,1,0.457,54,411,465.304,3.967,5,0.371,0.67,0.757,0.660150092522788,0.6775666506750737,0.462579672400795,0.5940477006373792,0.598586029059009
EOS-2-21117,Cc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccc(Cl)cn1,SSYYXUSLMVLCBJ-UHFFFAOYSA-N,2,1,0.404,51,196,465.304,4.233,5,0.38,0.65,0.997,0.5966263450071962,0.6240405044205332,0.38653964772805155,0.46557809608662876,0.5181961483106025
EOS-2-21118,Cc1ncc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c(-c2cccnc2Cl)n1,MJNBZNKHAJQTEA-UHFFFAOYSA-N,2,1,0.424,55,959,465.304,4.233,5,0.355,0.63,0.983,0.7212408333904462,0.7995425262147899,0.4871153450757316,0.5494825577410732,0.6393453156055102
EOS-2-21119,Cc1cncc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4cnc(Cl)nc4)c3)n12,VYEKMSTZALZGOS-UHFFFAOYSA-N,2,1,0.483,2,434,465.304,4.233,5,0.355,0.65,0.999,0.7688043999725859,0.72539579192653,0.6364625454047015,0.6473511068466863,0.6945034610376258
EOS-2-21120,Clc1ccnc(CCOc2cncc3nnc(-c4ncc(-c5ccc(Cl)nc5)cn4)n23)c1,FZOMKKSLOUUCEA-UHFFFAOYSA-N,2,1,0.462,87,631,465.304,3.967,5,0.347,0.7,1.0,0.6846429305736413,0.6726235350558564,0.45905009937632785,0.5784644643958604,0.5986952573504215
EOS-2-21121,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)ccn1,PTZLKMSJAZNNSQ-UHFFFAOYSA-N,2,1,0.522,65,76,465.304,3.967,5,0.274,0.67,1.0,0.8859742306901515,0.9263844150503735,0.5942790076074292,0.6238777328490165,0.7576288465492427
EOS-2-21122,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5cnc(Cl)nc5)c4)n23)c1Cl,ROLKSCXIRGSOSQ-UHFFFAOYSA-N,2,1,0.456,75,441,465.304,4.233,5,0.355,0.75,1.0,0.6905883763964088,0.687435748063875,0.6428106366938524,0.6415512987458022,0.6655965149749845
EOS-2-21123,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)c4)n23)nn1,IFLAVEFNKCARLN-UHFFFAOYSA-N,2,1,0.511,37,132,465.304,3.967,5,0.371,0.69,1.0,0.8999211842916867,0.9050613391816873,0.42291481049962304,0.533265369063121,0.6902906757590295
EOS-2-21124,Clc1cc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)ccn1,VWHLVJSOHXWVEJ-UHFFFAOYSA-N,2,1,0.433,87,279,465.304,3.967,5,0.347,0.66,1.0,0.644832430950586,0.7023935987937769,0.5316890548968543,0.6296604071002673,0.6271438729353711
EOS-2-21125,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,DMXBUGCVOXPXKK-UHFFFAOYSA-N,2,1,0.473,87,132,465.304,3.967,5,0.347,0.69,1.0,0.6165016105818656,0.7742101295319033,0.5215543828387362,0.6238862997738331,0.6340381056815846
EOS-2-21126,Cc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4cnc(Cl)nn4)c3)n12,RGCUVZOSXMXTNG-UHFFFAOYSA-N,2,1,0.484,24,486,465.304,4.233,5,0.38,0.64,1.0,0.6876156534850251,0.682406963196491,0.5753718045370434,0.6326673977109177,0.6445154547323693
EOS-2-21127,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)nc1,AFXKTEPASHDKQV-UHFFFAOYSA-N,2,1,0.552,75,263,465.304,3.967,5,0.371,0.64,1.0,0.7887396340209718,0.7829912274689877,0.40817113289013773,0.5029041875128504,0.620701545473237
EOS-2-21128,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)c1,ITYQKEBIMKWHCW-UHFFFAOYSA-N,2,1,0.423,18,194,465.304,3.967,5,0.347,0.64,0.847,0.7149098759509287,0.7071225412925776,0.5721934754300596,0.6529110410527037,0.6617842334315673
EOS-2-21129,Clc1cnnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)c1,UZPUVGAIYVNOOM-UHFFFAOYSA-N,2,1,0.469,87,76,465.304,3.967,5,0.347,0.69,1.0,0.6816530738126242,0.877450140497567,0.4936090740867658,0.6059985607566308,0.664677712288397
EOS-2-21130,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cn1,BYZKDBVTDXHRNG-UHFFFAOYSA-N,2,1,0.484,58,132,465.304,3.967,5,0.347,0.73,1.0,0.7271948461380303,0.8774587074223836,0.4697416215475293,0.5658453841409088,0.660060139812213
EOS-2-21131,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cnn2)cn1,HHIVFDNEZHYSQO-UHFFFAOYSA-N,2,1,0.495,58,778,465.304,3.967,5,0.347,0.49,1.0,0.780172709204304,0.8480313206771297,0.6274415735727503,0.6963025152491261,0.7379870296758275
EOS-2-21132,Clc1cncc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ccccn5)c4)n23)n1,MMOGUVRRIZAVDP-UHFFFAOYSA-N,2,1,0.463,58,583,465.304,3.967,5,0.347,0.67,0.759,0.684651497498458,0.730090466726064,0.3754711808649167,0.48411692138989787,0.5685825166198342
EOS-2-21133,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)n1,GRUWIZSFDGRNDR-UHFFFAOYSA-N,2,1,0.474,87,173,465.304,3.967,5,0.274,0.68,1.0,0.7569820437255843,0.8932989514084024,0.4871239120005483,0.5432544033993557,0.6701648276334727
EOS-2-21134,Cc1cncc(-c2cncc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)c2)n1,GDCLCSGQKYXOQK-UHFFFAOYSA-N,2,1,0.443,2,858,465.304,4.233,5,0.38,0.63,1.0,0.6663611130148722,0.6483191693509698,0.6332670824480844,0.6791086971420739,0.656764015489
EOS-2-21135,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cn1,YREMDTXAUGZVOM-UHFFFAOYSA-N,2,1,0.453,2,419,465.304,3.967,5,0.347,0.64,1.0,0.6724950311836063,0.7871290521554383,0.5316976218216709,0.6267305188129669,0.6545130559934206
EOS-2-21136,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nn2)cc1,ULIDJFMMMVYLRU-UHFFFAOYSA-N,2,1,0.466,19,691,465.304,3.967,5,0.371,0.79,0.932,0.7688129668974025,0.8375111370022617,0.39387293537111917,0.5625813857857583,0.6406946062641354
EOS-2-21137,Clc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)nc1,CPLKJQBYNPDUKP-UHFFFAOYSA-N,2,1,0.561,75,262,465.304,3.967,5,0.347,0.7,1.0,0.8784781714755672,0.8232043725584264,0.46975018847234595,0.5462442601603729,0.6794192481666781
EOS-2-21138,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)c1,RUCLEZGFAQPRFT-UHFFFAOYSA-N,2,1,0.527,65,434,465.304,3.967,5,0.347,0.72,1.0,0.880414296484134,0.9171749708724556,0.5782759920498938,0.6267390857377836,0.7506510862860668
EOS-2-21139,Clc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nn2)c1,PICSCRRRAVXXAV-UHFFFAOYSA-N,2,1,0.462,54,411,465.304,3.967,5,0.347,0.63,1.0,0.797143787266123,0.7207953532999795,0.52501542046467,0.6296689740250839,0.6681558837639641
EOS-2-21140,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)cn1,WQBIHCSSOVDGMH-UHFFFAOYSA-N,2,1,0.468,75,279,465.304,3.967,5,0.347,0.66,1.0,0.727203413062847,0.8037917209238572,0.48713247892536493,0.5784730313206772,0.6491501610581867
EOS-2-21141,Clc1cnc(-c2ncccc2-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nc1,BWJSARCZTUJCLF-UHFFFAOYSA-N,2,1,0.511,75,262,465.304,3.967,5,0.347,0.68,1.0,0.8547649235830307,0.8443903776300459,0.3865482146528682,0.4960849153587828,0.6454471078061819
EOS-2-21142,Clc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cn1,XNVPIJOZQBQFEP-UHFFFAOYSA-N,2,1,0.474,58,954,465.304,3.967,5,0.347,0.69,1.0,0.7484065519840998,0.8880045918717018,0.44135939962990883,0.5227366184634363,0.6501267904872867
EOS-2-21143,Clc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5ncnc(Cl)n5)c4)n23)c1,PHBXGJKLTOFPIF-UHFFFAOYSA-N,2,1,0.527,15,921,465.304,3.967,5,0.371,0.68,1.0,0.85016448495648,0.8480398876019464,0.46258823932561166,0.5363751627715715,0.6742919436639023
EOS-2-21144,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)n1,FFAVZFYHGQJXRX-UHFFFAOYSA-N,2,1,0.462,58,28,465.304,3.967,5,0.347,0.6,0.998,0.7512850387225002,0.8038002878486739,0.3266482763347269,0.44684223151257624,0.5821439586046193
EOS-2-21145,Cc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(-c2cccnc2Cl)n1,UMUIDAWGRPVCPI-UHFFFAOYSA-N,2,1,0.467,4,208,465.304,4.233,5,0.355,0.56,0.954,0.5653142348022754,0.6579398259200877,0.42292337742443975,0.49609348228359945,0.5355677301076005
EOS-2-21146,N=c1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2Cl)c[nH]1,XNKATQUDKOJFEE-UHFFFAOYSA-N,2,1,0.494,16,89,465.304,3.942,5,0.406,0.64,1.0,0.7943938043999725,0.7116972791446782,0.7940168597080393,0.8090775135357412,0.7772963641971078
EOS-2-21147,Clc1ccc(CCOc2cncc3nnc(-c4cnc(Cl)c(-c5cccnn5)c4)n23)cn1,LLROXKOMCWIIRZ-UHFFFAOYSA-N,2,1,0.479,58,76,465.304,3.967,5,0.347,0.65,1.0,0.810705229250908,0.8880131587965184,0.57538037146186,0.6473596737715029,0.7303646083201973
EOS-2-21148,Clc1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(-c5cncnc5)nn4)n23)cc1,RHJDEMJNGPHUET-UHFFFAOYSA-N,2,1,0.593,37,563,465.304,3.967,5,0.371,0.75,1.0,0.8804228634089507,0.9517767802069769,0.480064765951614,0.6296775409499006,0.7354854876293605
EOS-2-21149,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)nn1,CCMKWIPNBRPZQT-UHFFFAOYSA-N,2,1,0.471,72,628,465.304,3.967,5,0.371,0.68,1.0,0.7361387156466315,0.8269995202522102,0.43385477349050783,0.5432629703241725,0.6350639949283805
EOS-2-21150,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncc(Cl)n5)nc4)n23)cn1,YGZDIGVDBQEBED-UHFFFAOYSA-N,2,1,0.506,65,981,465.304,3.967,5,0.347,0.56,1.0,0.8336388869851278,0.8933075183332191,0.5285621273387705,0.5909293400041121,0.7116094681653073
EOS-2-21151,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)nc(Cl)c5)n34)cn2)cn1,ZWFRROTYLYNILU-UHFFFAOYSA-N,2,1,0.471,55,282,465.304,4.233,5,0.355,0.67,1.0,0.7716571859365362,0.7529470221369338,0.6247087245562333,0.6211791515317662,0.6926230210403674
EOS-2-21152,Clc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)nc1,FZPUEJMORJWHDB-UHFFFAOYSA-N,2,1,0.537,75,263,465.304,3.967,5,0.371,0.7,1.0,0.8362689329038449,0.8077410732643411,0.46604927695154547,0.5592402851072579,0.6673248920567473
EOS-2-21153,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2)cn1,HEGMBSHXQGZDHD-UHFFFAOYSA-N,2,1,0.436,54,954,465.304,3.967,5,0.347,0.7,0.99,0.6816616407374408,0.7658659447604688,0.43386334041532454,0.552686587622507,0.6085193783839353
EOS-2-21154,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)cn1,CWAAFSANUWUHDW-UHFFFAOYSA-N,2,1,0.489,58,132,465.304,3.967,5,0.347,0.71,1.0,0.7058546364197108,0.8191779178945926,0.48007333287643067,0.5752861352888767,0.6450980056199027
EOS-2-21155,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)cc(Cl)n4)n23)c1,VLRZMIHGYKVHKS-UHFFFAOYSA-N,2,1,0.432,18,262,465.304,3.967,5,0.347,0.67,1.0,0.7361472825714481,0.6971677746556096,0.44489753957919265,0.5494911246658899,0.606925930368035
EOS-2-21156,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)nc1,YSBVBPJCTQCUNT-UHFFFAOYSA-N,2,1,0.388,44,481,465.304,3.967,5,0.347,0.76,0.902,0.6079775203892811,0.610196353916798,0.4229319443492564,0.5394763895552053,0.5451455520526352
EOS-2-21157,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)cn1,STRYSQPAQYDACS-UHFFFAOYSA-N,2,1,0.512,65,76,465.304,3.967,5,0.274,0.71,1.0,0.8501730518812967,0.9208587485436228,0.5813772188335276,0.612363785895415,0.7411932012884654
EOS-2-21158,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4Cl)n23)cn1,ZBCQFUBOIGTTPD-UHFFFAOYSA-N,2,1,0.542,58,324,465.304,3.967,5,0.347,0.6,1.0,0.8387447741758618,0.8719073401411829,0.5005825508875335,0.5752947022136934,0.6966323418545679
EOS-2-21159,Clc1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(-c5cccnn5)n4)n23)cc1,IPRJJSJREVTJTM-UHFFFAOYSA-N,2,1,0.565,72,639,465.304,3.967,5,0.347,0.73,1.0,0.919488040572956,0.9773233500102803,0.35278596395038037,0.5061167843191008,0.6889285347131794
EOS-2-21160,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)cnc4Cl)n23)nc1,FIFNBPJBUIAOBV-UHFFFAOYSA-N,2,1,0.5,87,307,465.304,3.967,5,0.347,0.61,1.0,0.7860239188540882,0.7829997943938044,0.41532451511205537,0.5092865465012679,0.623408693715304
EOS-2-21161,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nn4)n23)nc1,WGZXGGHKDLFYMY-UHFFFAOYSA-N,2,1,0.457,54,411,465.304,3.967,5,0.347,0.71,0.892,0.7058632033445275,0.7742186964567199,0.4660578438763621,0.5817969981495442,0.6319841854567885
EOS-2-21162,Clc1nccc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)n1,SIJOLAPARFONIB-UHFFFAOYSA-N,2,1,0.469,15,846,465.304,3.967,5,0.347,0.6,1.0,0.777439860187787,0.8077496401891577,0.3828815708313344,0.4841254883147145,0.6130491398807484
EOS-2-21163,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)nc1,VPHHEDXFTBIRHS-UHFFFAOYSA-N,2,1,0.527,87,434,465.304,3.967,5,0.347,0.67,1.0,0.8312744157357275,0.907211637310671,0.5215629497635529,0.572236310054143,0.7080713282160236
EOS-2-21164,Clc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nn2)c1,ZNNGKYWLRLKSAG-UHFFFAOYSA-N,2,1,0.442,54,411,465.304,3.967,5,0.371,0.67,0.764,0.6756562264409568,0.6775752175998904,0.46606641080117883,0.6091169213898979,0.607103694057981
EOS-2-21165,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)nn4)n23)nc1,BLFBNNJYLGRANS-UHFFFAOYSA-N,2,1,0.461,54,411,465.304,3.967,5,0.371,0.69,0.735,0.6787231855253238,0.7254043588513467,0.40817969981495444,0.5432715372489891,0.5888946953601535
EOS-2-21166,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cnn2)cc1,AGFAOPSIXNBHFM-UHFFFAOYSA-N,2,1,0.56,37,778,465.304,3.967,5,0.347,0.59,1.0,0.8387533411006785,0.8933160852580357,0.5556079089849908,0.6585309437324378,0.7365520697690358
EOS-2-21167,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)cn1,WXPIFVRZCBGKNA-UHFFFAOYSA-N,2,1,0.461,18,194,465.304,3.967,5,0.347,0.64,1.0,0.7361558494962648,0.7071311082173943,0.5753889383866767,0.6386128435336852,0.6643221849085053
EOS-2-21168,N=c1cnc(-c2cc(-c3nnc4cncc(OCc5ccncc5Cl)n34)ccc2Cl)c[nH]1,SPCKEQVDMAPEFT-UHFFFAOYSA-N,2,1,0.5,16,772,465.304,3.942,5,0.406,0.71,1.0,0.8433366458775958,0.7701065725447194,0.7898276334726887,0.8157682818175588,0.8047597834281407
EOS-2-21169,Clc1cc(CCOc2cncc3nnc(-c4cnc(-c5cncnc5)c(Cl)c4)n23)ccn1,VXEDAHCUNZLLSG-UHFFFAOYSA-N,2,1,0.5,65,76,465.304,3.967,5,0.347,0.7,1.0,0.8184925639092592,0.8510211774381468,0.6070437255842642,0.6730261805222397,0.7373959118634774
EOS-2-21170,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(Cl)c4)n23)nn1,ZFRHOMDATAYDAK-UHFFFAOYSA-N,2,1,0.511,37,215,465.304,3.967,5,0.371,0.67,1.0,0.8000651086286067,0.8774672743472003,0.5722020423548763,0.6701990953327394,0.7299833801658556
EOS-2-21171,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)cc2Cl)nn1,SMBLXHXWERTKIO-UHFFFAOYSA-N,2,1,0.523,4,554,465.304,4.233,5,0.355,0.66,1.0,0.5735984510999932,0.7658745116852854,0.5556164759098075,0.5909379069289288,0.6215068364060037
EOS-2-21172,Clc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)nc1,CNBCCGBSFFAIHD-UHFFFAOYSA-N,2,1,0.538,65,263,465.304,3.967,5,0.347,0.74,1.0,0.8744945514358166,0.9208673154684395,0.4660749777259955,0.5363837296963881,0.6994551435816599
EOS-2-21173,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5nc(Cl)ccc5Cl)cn4)n23)cn1,BPQAXPDPTSYKBP-UHFFFAOYSA-N,2,1,0.451,7,390,465.304,4.233,5,0.355,0.65,1.0,0.6331300116510178,0.7163405523953121,0.48714104585018164,0.5394849564800219,0.5940241415941334
EOS-2-21174,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc(Cl)n1,SMYFANOKXFFNNJ-UHFFFAOYSA-N,2,1,0.529,15,846,465.304,3.967,5,0.274,0.69,1.0,0.9047272291138373,0.9263929819751902,0.46259680625042837,0.5296929614145707,0.7058524946885065
EOS-2-21175,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)cn1,XGLSSOFKPPBFJT-UHFFFAOYSA-N,2,1,0.482,51,441,465.304,4.233,5,0.38,0.73,1.0,0.7304074429442807,0.6824155301213076,0.6428192036186691,0.664459255705572,0.6800253580974573
EOS-2-21176,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cnc2Cl)cn1,YWDGUWCFKPRRQO-UHFFFAOYSA-N,2,1,0.424,55,565,465.304,4.233,5,0.355,0.66,1.0,0.6934411623603591,0.7951990953327394,0.627450140497567,0.6444040847097526,0.6901236207251046
EOS-2-21177,Clc1nccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)n1,XVEBSOQEVBKLJE-UHFFFAOYSA-N,2,1,0.5,65,393,465.304,3.967,5,0.274,0.65,1.0,0.7944023713247893,0.8880217257213351,0.5585206634226578,0.6027174285518471,0.7109155472551573
EOS-2-21178,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5Cl)n34)ccn2)cn1,VVLMVLMDKIHCRS-UHFFFAOYSA-N,2,1,0.456,75,99,465.304,4.233,5,0.355,0.67,1.0,0.6663696799396889,0.6534079226920705,0.6159618943184154,0.6326759646357344,0.6421038653964772
EOS-2-21179,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)nn2)cc1,ZDPAFZZYTJSASF-UHFFFAOYSA-N,2,1,0.471,54,691,465.304,3.967,5,0.347,0.77,0.998,0.6996950174765266,0.8341529024741279,0.3449900623672127,0.519498320882736,0.5995840758001507
EOS-2-21180,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(Cl)c5)n34)cc2)c1,XRGOSGSJRKHZCO-UHFFFAOYSA-N,2,1,0.794,57,853,465.315,6.483,5,0.298,0.88,1.0,0.989993831814132,0.9915444452059489,0.9856332670824481,0.9929065862517991,0.990019532588582
EOS-2-21181,Fc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)ccc1Cl,FBCOSGZEFSAQEP-UHFFFAOYSA-N,2,1,0.809,57,23,465.315,6.483,5,0.298,0.84,1.0,0.9842539921869645,0.982617709546981,0.9856418340072648,0.9929151531766157,0.9863571722294565
EOS-2-21182,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccc(Cl)cc1,RUUHQTOPBGWEBI-UHFFFAOYSA-N,2,1,0.761,83,23,465.315,6.483,5,0.298,0.82,1.0,0.9941916249742992,0.9959821122609828,0.9853419916386814,0.9935662394626825,0.9922704920841615
EOS-2-21183,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(Cl)c5)n34)cc2)cc1,PYWTTZBAXMJALO-UHFFFAOYSA-N,2,1,0.903,83,23,465.315,6.483,5,0.298,0.91,1.0,0.9967274347200329,0.9940288534027826,0.9866698649852649,0.9933692001918991,0.9926988383249948
EOS-2-21184,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,JUWRTUZHDXLZCD-UHFFFAOYSA-N,2,1,0.618,57,23,465.315,6.483,5,0.298,0.8,1.0,0.9686279213213624,0.9752244534301967,0.9838427797957645,0.9925810431087657,0.9800690494140224
EOS-2-21185,Fc1cc(-c2ccccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,GIUPTLLMYISCHC-UHFFFAOYSA-N,2,1,0.699,57,853,465.315,6.483,5,0.298,0.85,1.0,0.9943372626961826,0.9959906791857994,0.9834144335549311,0.9920413268453157,0.9914459255705572
EOS-2-21186,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)c(Cl)c1,TZJCGHARRNVMET-UHFFFAOYSA-N,2,1,0.618,57,23,465.315,6.483,5,0.298,0.81,1.0,0.9655352614625454,0.9757727366184634,0.9834230004797478,0.9927609485299157,0.979372986772668
EOS-2-21187,Fc1cc(Cl)ccc1-c1cccc(-c2nnc3cncc(OCc4ccccc4Cl)n23)c1,ICXOFMCTGDFNCI-UHFFFAOYSA-N,2,1,0.59,57,23,465.315,6.483,5,0.298,0.73,1.0,0.9587331231581112,0.9752330203550134,0.9821208279076142,0.9918528544993489,0.9769849564800219
EOS-2-21188,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,QAQFRPWYBNVIKP-UHFFFAOYSA-N,2,1,0.613,57,23,465.315,6.483,5,0.298,0.82,1.0,0.9618771845658283,0.97475327256528,0.9808614899595641,0.9914844767322322,0.9772441059557261
EOS-2-21189,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,OJFIVCXXXKLNOW-UHFFFAOYSA-N,2,1,0.623,57,23,465.315,6.483,5,0.298,0.85,1.0,0.9714121718867795,0.9757813035432801,0.9840912206154478,0.9924354053868824,0.9809300253580975
EOS-2-21190,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)cc1Cl,NXIKPGSBWBGQSV-UHFFFAOYSA-N,2,1,0.809,57,23,465.315,6.483,5,0.298,0.85,1.0,0.9837228428483311,0.9822921664039477,0.9856504009320814,0.9930779247481324,0.9861858337331232
EOS-2-21191,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)c(Cl)c1,HSCRJJFLDSAPFW-UHFFFAOYSA-N,2,1,0.44,83,533,465.315,6.58,5,0.301,0.8,1.0,0.6964652868206429,0.9189568912343226,0.9866784319100815,0.992443972311699,0.8986361455691865
EOS-2-21192,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccccc1Cl,DAHLMYAKPPCKKU-UHFFFAOYSA-N,2,1,0.739,57,461,465.315,6.483,5,0.298,0.85,1.0,0.9930950585977657,0.994714207388116,0.9838513467205812,0.9927695154547324,0.9911075320402988
EOS-2-21193,Fc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)c(Cl)c3)n12,RUDIXEBEPHDJRD-UHFFFAOYSA-N,2,1,0.627,57,23,465.315,6.483,5,0.298,0.77,1.0,0.9867898019326983,0.9872952504968816,0.9834315674045645,0.9929237201014324,0.9876100849838942
EOS-2-21194,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1Cl,XBXRJZOESFLNBR-UHFFFAOYSA-N,2,1,0.903,83,23,465.315,6.483,5,0.298,0.88,1.0,0.9965560962236996,0.9936347748612158,0.9866869988348982,0.9933777671167158,0.9925639092591323
EOS-2-21195,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)ccc1Cl,MKRMDQLMVBCAKR-UHFFFAOYSA-N,2,1,0.903,83,23,465.315,6.483,5,0.298,0.85,1.0,0.9968216708930162,0.9939174833801658,0.9866955657597148,0.9933863340415324,0.9927052635186073
EOS-2-21196,Fc1c(Cl)ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5)n34)c2)c1Cl,FXDLAKCWVDYOBQ-UHFFFAOYSA-N,2,1,0.595,57,962,465.315,6.483,5,0.279,0.81,1.0,0.9503718045370434,0.9622798300322116,0.9814440408470976,0.9887173600164485,0.9707032588582003
EOS-2-21197,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,HILZATHWOVYUDE-UHFFFAOYSA-N,2,1,0.61,57,23,465.315,6.483,5,0.298,0.79,1.0,0.9717805496538963,0.9747618394900966,0.9834401343293812,0.9925896100335824,0.9806430333767392
EOS-2-21198,Cc1cc(C)c(-c2ccc(-c3nnc4cncc(-c5cc(Cl)ccc5Cl)n34)c(F)c2)nn1,QOMFRVLAZRASDT-UHFFFAOYSA-N,2,1,0.364,45,46,465.319,5.978,5,0.328,0.74,1.0,0.3564526077719142,0.5760657254471935,0.9029538756767871,0.9373672126653416,0.693209855390309
EOS-2-21199,Brc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccs5)n4)n23)cc1,VIJKGOOKAXPTCC-UHFFFAOYSA-N,2,1,0.556,24,401,465.336,4.651,5,0.376,0.82,1.0,0.7512936056473168,0.8571979302309642,0.47625248440819684,0.502912754437667,0.6469141936810363
EOS-2-21200,Brc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cc1,JBYVELUVABIZAH-UHFFFAOYSA-N,2,1,0.636,1,850,465.336,4.651,5,0.376,0.74,1.0,0.6694537728736892,0.8038088547734905,0.5910150092522788,0.5784815982454938,0.6606898087862381
EOS-2-21201,Cn1ncc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1-c1ccc(Cl)cc1,YWYXHHYMANTWBU-UHFFFAOYSA-N,2,1,0.684,91,660,465.344,5.12,5,0.348,0.73,1.0,0.6331385785758344,0.7572733191693509,0.760545884449318,0.8524518538825303,0.7508524090192584
EOS-2-21202,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cc2)n1,YLBAPBVPBCUFQI-UHFFFAOYSA-N,2,1,0.61,91,803,465.344,5.12,5,0.348,0.66,1.0,0.8501816188061133,0.9001524912617367,0.8275049688163937,0.8556644506887807,0.8583758823932561
EOS-2-21203,Fc1cc(Cl)cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)c1,RQLRKCCCRXDGHI-UHFFFAOYSA-N,2,1,0.815,90,708,434.656,4.32,4,0.479,0.76,1.0,0.5937906928928792,0.8375197039270783,0.8842779795764513,0.9133369885545884,0.8072313412377494
EOS-2-21204,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cc5)nn4C)n23)ccc1Cl,OVYMJUPWXLTXAS-UHFFFAOYSA-N,2,1,0.554,43,372,465.344,5.386,5,0.348,0.77,1.0,0.6219244739908163,0.8541224042217805,0.8255431430333767,0.8591940237132479,0.7901960112398053
EOS-2-21205,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,JAZDSXSEAYRMGO-UHFFFAOYSA-N,2,1,0.747,91,781,465.344,5.12,5,0.348,0.78,1.0,0.9510914262216434,0.8690888218764992,0.8831728462751011,0.8888955520526352,0.8980621616064697
EOS-2-21206,Fc1cc(Br)cnc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,YKTVTXXESZKOBB-UHFFFAOYSA-N,2,1,0.625,23,708,434.656,4.32,4,0.479,0.81,1.0,0.951802480981427,0.9692704406826126,0.8658076896717154,0.9078113220478377,0.9236729833458981
EOS-2-21207,Cc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cncn4C)c(Cl)c3)n12,KJAZFZLBIVLQQC-UHFFFAOYSA-N,2,1,0.512,43,521,465.344,5.386,5,0.348,0.74,1.0,0.6876242204098417,0.6628743746144884,0.8912000548283189,0.8984391062984032,0.785034439037763
EOS-2-21208,Fc1c(Br)cccc1-c1nnc2cncc(OCc3cc(Cl)ccn3)n12,ABKULQYBTSCJMU-UHFFFAOYSA-N,2,1,0.605,23,708,434.656,4.32,4,0.479,0.73,1.0,0.7272119799876636,0.8719159070659996,0.8912086217531355,0.919976355287506,0.8525782160235762
EOS-2-21209,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(Br)cn3)n12,MDBPHBXRSCUOBH-UHFFFAOYSA-N,2,1,0.63,23,708,434.656,4.32,4,0.479,0.76,1.0,0.8615242272633815,0.9559574395175108,0.8856058529230347,0.914613460352272,0.9044252450140498
EOS-2-21210,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)cc1,DLOWUAOGVSNLAW-UHFFFAOYSA-N,2,1,0.625,91,70,465.344,5.12,5,0.348,0.72,1.0,0.9032023164964704,0.8659447604687821,0.8714190254266329,0.8862569392091015,0.8817057604002467
EOS-2-21211,Fc1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)ccc1Cl,KWKFVMZXZGHOOL-UHFFFAOYSA-N,2,1,0.653,23,708,434.656,4.32,4,0.479,0.8,1.0,0.8933417860324858,0.9699386608183127,0.907211637310671,0.9262302104036735,0.9241805736412858
EOS-2-21212,Fc1cnc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1Cl,BWWKOMXUTIGHNV-UHFFFAOYSA-N,2,1,0.648,23,708,434.656,4.32,4,0.479,0.78,1.0,0.9477845932424097,0.9539099444863272,0.9090706599958879,0.930496538962374,0.9353154341717497
EOS-2-21213,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(Br)cn3)n12,QITPNTYHYQWWPB-UHFFFAOYSA-N,2,1,0.643,23,708,434.656,4.32,4,0.479,0.76,1.0,0.7058717702693441,0.8410064423274621,0.8583373312315811,0.8997155780960866,0.8262327804811185
EOS-2-21214,Cc1cc(-c2nnc3cncc(OCc4cn(C)nc4-c4cccc(Cl)c4)n23)ccc1Cl,ADEJFALNXSWNLU-UHFFFAOYSA-N,2,1,0.523,43,521,465.344,5.386,5,0.348,0.78,1.0,0.45420978685491054,0.7024021657185937,0.8221078061818929,0.8607617709546981,0.7098703824275239
EOS-2-21215,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)cc1,BALTWTRYYXKAHN-UHFFFAOYSA-N,2,1,0.602,91,803,465.344,5.12,5,0.348,0.71,1.0,0.9153159481872387,0.8719244739908163,0.8524518538825303,0.8762422040984168,0.8789836200397505
EOS-2-21216,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cc(Cl)c5)n34)cc2)n1,PPRNRZCIUPFPAM-UHFFFAOYSA-N,2,1,0.636,91,781,465.344,5.12,5,0.348,0.68,1.0,0.759954766636968,0.8690973888013159,0.8394815297100953,0.8592025906380646,0.8319340689466109
EOS-2-21217,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)c4)n23)cc1,NKCAWKKWBPLTDN-UHFFFAOYSA-N,2,1,0.628,91,781,465.344,5.12,5,0.348,0.7,1.0,0.8784867384003838,0.837528270851895,0.864299910903982,0.8790778562127339,0.8648481940922488
EOS-2-21218,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5Cl)n34)cc2)cn1,HASGJHWVINOWAA-UHFFFAOYSA-N,2,1,0.608,91,322,465.344,5.12,5,0.348,0.8,1.0,0.7860324857789048,0.882556027688301,0.8820248783496676,0.8957662257556027,0.861594904393119
EOS-2-21219,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5Cl)n34)cc2)n1,WRGKHJZGVKJZAF-UHFFFAOYSA-N,2,1,0.593,91,273,465.344,5.12,5,0.348,0.74,1.0,0.8156997464190254,0.909353368514838,0.8473631005414296,0.8689774518538825,0.8603484168322938
EOS-2-21220,Cn1c(Cl)ccc1-c1cccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,MOGMJYKVJMXWQH-UHFFFAOYSA-N,2,1,0.505,11,848,465.344,5.12,5,0.326,0.72,1.0,0.7659173463093688,0.7485093550818998,0.7836680145295045,0.8236155849496265,0.7804275752176
EOS-2-21221,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,ARWGBCIXHXOQHX-UHFFFAOYSA-N,2,1,0.789,91,781,465.344,5.12,5,0.348,0.76,1.0,0.9461140429031595,0.8691059557261326,0.8394900966349119,0.852460420807347,0.8767926290178878
EOS-2-21222,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cc2)n1,SVJXDENNGUSZNT-UHFFFAOYSA-N,2,1,0.757,91,781,465.344,5.12,5,0.348,0.76,1.0,0.9015060653827702,0.9112295250496881,0.8629292029333151,0.8705794667945994,0.8865610650400932
EOS-2-21223,FC(F)c1ccc(-c2nnc3cncc(-c4cc(-c5ncon5)sc4C(F)(F)F)n23)cn1,BIBFMNJXVCHHAG-UHFFFAOYSA-N,2,1,0.416,27,243,465.367,4.921,5,0.348,0.59,0.966,0.32813892125282706,0.46190288534027824,0.9508172846275101,0.8901720238503187,0.6577577787677336
EOS-2-21224,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)cc2F)n[nH]1,HDULXJCXRITEOU-UHFFFAOYSA-N,2,1,0.511,59,607,465.37,4.188,5,0.308,0.69,0.999,0.9525306695908436,0.9282177369611404,0.9805702145157974,0.9785055856349805,0.9599560516756904
EOS-2-21225,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(OC(F)F)c([N+](=O)[O-])c4)n23)n1,AJBJXXZPIJLLIY-UHFFFAOYSA-N,2,1,0.37,22,259,465.38,3.158,5,0.273,0.68,1.0,0.3281474881776438,0.26031457747926806,0.3754797477897334,0.22636385443081353,0.2975764169693647
EOS-2-21226,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)ccn1,UDBWKCLKJIFHLP-UHFFFAOYSA-N,2,1,0.605,97,996,465.395,3.963,5,0.333,0.75,1.0,0.9510999931464601,0.9622883969570283,0.8831814131999177,0.8336046192858612,0.9075436056473168
EOS-2-21227,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(OC(F)F)c5)cn4)n23)cc1,FVSZEHCLSWRZMN-UHFFFAOYSA-N,2,1,0.533,27,343,465.395,3.963,5,0.356,0.7,1.0,0.8951836748680694,0.9465595229936262,0.8878675210746351,0.8524689877321636,0.8955199266671235
EOS-2-21228,FC(F)(F)Oc1ccccc1-c1nnc2cncc(OCc3ccc(-c4cncnc4)nc3)n12,SDIQSRNZIKMDIN-UHFFFAOYSA-N,2,1,0.473,27,430,465.395,4.121,5,0.369,0.79,0.999,0.8000736755534233,0.7117058460694949,0.9455229250908094,0.8736378589541498,0.8327350764169694
EOS-2-21229,Fc1cccc(-c2ncc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)c1,SICNSOZWQYXMIL-UHFFFAOYSA-N,2,1,0.642,1,996,465.395,3.963,5,0.356,0.79,1.0,0.7212494003152629,0.9328952779110411,0.8295096292234939,0.8157768487423754,0.8248577890480434
EOS-2-21230,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)nc5)nc4)n23)c1,BOWJDMPLFUADEX-UHFFFAOYSA-N,2,1,0.468,55,879,465.395,3.963,5,0.356,0.75,1.0,0.9139709409910218,0.8933246521828524,0.8924508258515523,0.8336131862106778,0.8833399013090261
EOS-2-21231,COc1cc(F)c(F)cc1-c1nnc2cncc(OCc3cncc(-c4ccnc(F)c4)n3)n12,VHXMOLJQDSTBGF-UHFFFAOYSA-N,2,1,0.427,73,401,465.395,3.648,5,0.351,0.65,1.0,0.7149184428757454,0.7163491193201289,0.8312144472620109,0.7577530669590844,0.7550587691042425
EOS-2-21232,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cc1,XSSBMYZDUCURKZ-UHFFFAOYSA-N,2,1,0.483,27,988,465.395,4.121,5,0.369,0.83,1.0,0.8967428551847029,0.770115139469536,0.9592128709478446,0.9056867246933041,0.8829393975738469
EOS-2-21233,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)ccn1,GLYNUDJLFWRASR-UHFFFAOYSA-N,2,1,0.605,27,996,465.395,3.963,5,0.333,0.72,1.0,0.8637773284901652,0.9329038448358578,0.8842865465012679,0.8396357343567953,0.8801508635460216
EOS-2-21234,COc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1ccc(F)cn1,XZDCHYWDZDFOBA-UHFFFAOYSA-N,2,1,0.415,49,469,465.395,3.648,5,0.375,0.66,1.0,0.6303114933863341,0.6677318209855391,0.7237509423617299,0.65022102666027,0.6680038208484683
EOS-2-21235,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1cnccn1,SBZWGCGERFCKFR-UHFFFAOYSA-N,2,1,0.659,27,996,465.395,3.963,5,0.356,0.73,1.0,0.8822561853197176,0.9507830169282434,0.8539853334247138,0.8026180522239736,0.8724106469741622
EOS-2-21236,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cn1,NURMNLYHPVXTQZ-UHFFFAOYSA-N,2,1,0.619,27,996,465.395,3.963,5,0.333,0.76,1.0,0.8590997875402645,0.9297169488040573,0.8866938523747515,0.8356092796929614,0.8777799671030087
EOS-2-21237,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)cn1,INRSMTGOAFFFMG-UHFFFAOYSA-N,2,1,0.595,97,996,465.395,3.963,5,0.333,0.74,1.0,0.9355424576793914,0.9539185114111438,0.8539939003495305,0.8026266191487903,0.8865203721472139
EOS-2-21238,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2F)ccc1=O,QIQKLNISCKYVCJ-UHFFFAOYSA-N,2,1,0.495,34,469,465.395,2.943,5,0.393,0.6,1.0,0.5736070180248098,0.5866116098965115,0.7580700431773011,0.7370982112260983,0.6638467205811802
EOS-2-21239,FC(F)(F)Oc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccncc5)n34)c2)cn1,CGILJUHSNUNDGS-UHFFFAOYSA-N,2,1,0.427,27,160,465.395,4.121,5,0.369,0.79,1.0,0.7304160098690974,0.6287865807689672,0.9436210677815091,0.8705880337194161,0.7933529230347474
EOS-2-21240,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nc1,YBBCVNCXXUAHIC-UHFFFAOYSA-N,2,1,0.607,1,431,465.395,4.121,5,0.369,0.67,1.0,0.7830683297923378,0.8232129394832431,0.9415650058255088,0.8736464258789665,0.855373175245014
EOS-2-21241,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cc2F)cn1,SGNXZJKQOPIWAF-UHFFFAOYSA-N,2,1,0.512,73,526,465.395,3.648,5,0.375,0.57,1.0,0.852537523130697,0.7871376190802549,0.7858954149818381,0.7130508532657117,0.7846553526146255
EOS-2-21242,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)c(F)c2)cc1=O,NPDVRJVFPQHDKI-UHFFFAOYSA-N,2,1,0.467,59,605,465.395,2.943,5,0.393,0.63,1.0,0.47578130354328013,0.5479405112740731,0.8027294222465904,0.7801298745802207,0.6516452779110411
EOS-2-21243,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nc4)n23)cc1,MWOKMVOWFBGRGU-UHFFFAOYSA-N,2,1,0.588,27,996,465.395,4.121,5,0.369,0.73,1.0,0.9655438283873621,0.8825645946131176,0.9461311767527928,0.8748629292029333,0.9172756322390514
EOS-2-21244,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2F)cn1,IIPJZZOUXMHGRO-UHFFFAOYSA-N,2,1,0.523,73,716,465.395,3.648,5,0.375,0.57,1.0,0.8336474539099444,0.8114591186347748,0.832884997601261,0.7526386128435337,0.8076575457473786
EOS-2-21245,COc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1cnc(F)c(F)c1,VBMVLJXFEKIVQN-UHFFFAOYSA-N,2,1,0.442,46,162,465.395,3.648,5,0.351,0.68,0.933,0.6360684668631348,0.662882941539305,0.7559197450483175,0.6672435062709889,0.6805286649304365
EOS-2-21246,Oc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nn2)cc1,GELOVMOCAAJDMW-UHFFFAOYSA-N,2,1,0.466,1,138,465.395,3.947,5,0.415,0.66,1.0,0.8984905078473031,0.8510297443629635,0.9241484476732232,0.8607703378795147,0.8836097594407512
EOS-2-21247,Fc1ccc(-c2cnccc2COc2cncc3nnc(-c4ccc(OC(F)F)cn4)n23)nc1,QSMVEDWNSNANCR-UHFFFAOYSA-N,2,1,0.457,46,267,465.395,3.963,5,0.356,0.66,1.0,0.9234459598382565,0.9001610581865533,0.8820334452744842,0.835617846617778,0.885314577479268
EOS-2-21248,Fc1cnccc1COc1cncc2nnc(-c3cc(-c4ccc(OC(F)F)nc4)ccn3)n12,SBPLPDMNVUHPML-UHFFFAOYSA-N,2,1,0.417,46,160,465.395,3.963,5,0.356,0.77,1.0,0.7774484271126036,0.7784935919402372,0.9018830100747036,0.8506442327462134,0.8271173154684395
EOS-2-21249,COc1nc(-c2nnc3cncc(OCc4ncc(F)c(F)c4F)n23)ccc1-c1cccnc1,HQCFUYYBWRNCJF-UHFFFAOYSA-N,2,1,0.421,46,469,465.395,3.648,5,0.375,0.62,1.0,0.6663782468645055,0.6337725310122678,0.7289253649509972,0.6444126516345693,0.6683721986155851
EOS-2-21250,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)ccn1,OQCLVILUDCLRFC-UHFFFAOYSA-N,2,1,0.639,72,996,465.395,3.963,5,0.333,0.74,1.0,0.8157083133438421,0.9050699061065041,0.8806027688301008,0.8356264135425947,0.8592518504557604
EOS-2-21251,COc1ncc(-c2cccc(F)n2)cc1-c1cncc2nnc(-c3ccc(OC(F)F)nc3)n12,FFMCPXQWFAWUHL-UHFFFAOYSA-N,2,1,0.326,96,478,465.395,4.059,5,0.346,0.54,1.0,0.6165101775066822,0.739531217874032,0.8378538139949284,0.7448255774107326,0.7346801966965938
EOS-2-21252,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cnc(C(F)F)cn5)ncn4)n23)c1,FYAFDZWUYMPKTK-UHFFFAOYSA-N,2,1,0.429,31,296,465.399,3.132,5,0.357,0.63,0.497,0.6246573230073333,0.6006527996710301,0.5556250428346241,0.49294085395106574,0.5684690048660133
EOS-2-21253,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnn(CC(F)(F)F)c(=O)c5)n34)cc2)nn1,FGAVMKHXLSPKMS-UHFFFAOYSA-N,2,1,0.288,61,336,465.399,2.738,5,0.398,0.74,1.0,0.22158351038311289,0.27612912069083684,0.5722106092796929,0.5163456925502021,0.39656723322596116
EOS-2-21254,Fc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2nnc3cncc(OCc4cccnc4)n23)c1,UWXSGSSYKCCVPY-UHFFFAOYSA-N,2,1,0.53,1,138,465.41,5.59,5,0.317,0.7,1.0,0.9443920910150092,0.8980107600575697,0.9952367898019328,0.9914930436570488,0.9572831711328902
EOS-2-21255,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)c2)nc1,QKAPYLYTOSURSJ-UHFFFAOYSA-N,2,1,0.547,1,138,465.41,5.59,5,0.317,0.79,1.0,0.932252758549791,0.9132513193064218,0.9942001918991159,0.9887259269412652,0.9571075491741484
EOS-2-21256,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cc2F)c1,AKQNVTGHDSZXKD-UHFFFAOYSA-N,2,1,0.583,88,222,465.41,5.031,5,0.329,0.69,1.0,0.9817781509149476,0.977331916935097,0.9768093345212803,0.9791738057706806,0.9787733020355014
EOS-2-21257,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)cc2)cc1F,QYAMCPHDOVEQNL-UHFFFAOYSA-N,2,1,0.561,57,80,465.41,5.031,5,0.329,0.71,1.0,0.979319443492564,0.9768607360701802,0.9721146597217463,0.972817147556713,0.9752779967103008
EOS-2-21258,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)ccn1,IUOSOSULVSJAJJ-UHFFFAOYSA-N,2,1,0.57,1,138,465.41,5.59,5,0.25,0.78,1.0,0.979987663628264,0.9598039887601947,0.9962134192310328,0.9920498937701323,0.9820137413474059
EOS-2-21259,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)cn1,BSAJDAKWGUFGDU-UHFFFAOYSA-N,2,1,0.529,1,138,465.41,5.59,5,0.317,0.81,1.0,0.9511085600712769,0.9568741004728942,0.9941145226509492,0.9894712494003153,0.9728921081488588
EOS-2-21260,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)cc2)nc1,PQERVYUFGAAEFM-UHFFFAOYSA-N,2,1,0.593,1,138,465.41,5.59,5,0.317,0.78,1.0,0.978154341717497,0.9613546021520115,0.994637105064766,0.9892313755054486,0.9808443561099308
EOS-2-21261,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)ccn2)c1,GGCJLFBYWAHDNB-UHFFFAOYSA-N,2,1,0.56,1,138,465.41,5.59,5,0.317,0.77,1.0,0.9846223699540813,0.9622969638818449,0.9943543965458159,0.9898481940922487,0.9827804811184978
EOS-2-21262,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nc4)n23)cc1F,IOQJLEXQZFACHO-UHFFFAOYSA-N,2,1,0.731,88,485,465.41,5.031,5,0.329,0.74,1.0,0.982052292509081,0.9808357891851142,0.9777259954766637,0.977434720032897,0.979512199300939
EOS-2-21263,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)nc1,NANUHJQJAQVHSP-UHFFFAOYSA-N,2,1,0.568,1,138,465.41,5.59,5,0.317,0.75,1.0,0.9861130148721815,0.9631964909875951,0.9942687272976493,0.9889829346857651,0.9831402919607978
EOS-2-21264,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)c(F)c5)c4)n23)cn1,DRNKIDNQPVYDRE-UHFFFAOYSA-N,2,1,0.642,88,485,465.41,5.031,5,0.26,0.74,1.0,0.9912531697621821,0.9870553766020149,0.9777345624014804,0.9781629086423137,0.9835515043519978
EOS-2-21265,Fc1ccc(-c2nc(CCOc3cncc4nnc(-c5ccc(F)cc5F)n34)ccc2F)cc1,KTGLUBOXIZOVEN-UHFFFAOYSA-N,2,1,0.617,57,461,465.41,5.031,5,0.329,0.69,1.0,0.9606264135425947,0.971994722774313,0.945531492015626,0.9564371873072441,0.9586474539099444
EOS-2-21266,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cc2F)cn1,YPFBVAABPKKFDF-UHFFFAOYSA-N,2,1,0.605,88,222,465.41,5.031,5,0.26,0.75,1.0,0.9852134877664314,0.9804759783428141,0.9742049893770133,0.9752929888287301,0.9787968610787472
EOS-2-21267,Fc1ccc(-c2cc(F)ccc2-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)nc1,NRBFXNVFNHVNFP-UHFFFAOYSA-N,2,1,0.571,88,732,465.41,5.031,5,0.329,0.69,1.0,0.9631879240627784,0.976869302994997,0.9668203001850456,0.9707610856007127,0.9694096532108835
EOS-2-21268,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)n5)c4)n23)cc1F,JDUBPWRCLJQEAE-UHFFFAOYSA-N,2,1,0.722,57,485,465.41,5.031,5,0.26,0.72,1.0,0.9799962305530807,0.9655866630114454,0.9709752587211294,0.9678054965389624,0.9710909122061544
EOS-2-21269,Fc1cccnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,IGSUDWQEYAWAQT-UHFFFAOYSA-N,2,1,0.593,1,138,465.41,5.59,5,0.317,0.77,1.0,0.9878349667603317,0.9664347885682956,0.9940288534027826,0.9881519429785485,0.9841126379274895
EOS-2-21270,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cnc1-c1ccccc1,FJRNBXCAZAJJSO-UHFFFAOYSA-N,2,1,0.554,1,138,465.41,5.59,5,0.317,0.76,1.0,0.9817867178397642,0.9539270783359606,0.9920070591460489,0.9838856144198479,0.9779016174354054
EOS-2-21271,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)c(F)c5)n34)cc2)nc1,BRLKQFAWUBUEKZ-UHFFFAOYSA-N,2,1,0.571,1,138,465.41,5.648,5,0.303,0.76,1.0,0.982849016517031,0.9598125556850113,0.9883918168734152,0.9829004180659311,0.9784884517853472
EOS-2-21272,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)c1,CEMQWBCMFQBNNG-UHFFFAOYSA-N,2,1,0.554,1,138,465.41,5.59,5,0.317,0.82,1.0,0.9833887327804811,0.9507915838530601,0.9941230895757659,0.9887344938660818,0.9792594750188472
EOS-2-21273,Fc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)c(F)c5)c4)n23)n1,QKDTXRMRMQIXSR-UHFFFAOYSA-N,2,1,0.558,57,485,465.41,5.031,5,0.26,0.72,1.0,0.9741450209032966,0.9782999794393804,0.967505654170379,0.9693304091563293,0.9723202659173464
EOS-2-21274,Fc1ccc(F)c(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ccn2)c1,UQYLLJZYQZHORR-UHFFFAOYSA-N,2,1,0.56,57,709,465.41,5.648,5,0.303,0.72,1.0,0.9828575834418477,0.967043040230279,0.9886916592419985,0.9854105270372148,0.981000702487835
EOS-2-21275,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2F)cn1,XDEHYPSTDNMKQF-UHFFFAOYSA-N,2,1,0.724,88,485,465.41,5.031,5,0.26,0.76,1.0,0.995459529847166,0.9860787471729148,0.980064765951614,0.9791823726954972,0.985196353916798
EOS-2-21276,Fc1ccnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)c1,RRXKLBFDJZIYPO-UHFFFAOYSA-N,2,1,0.593,1,138,465.41,5.59,5,0.317,0.78,1.0,0.9854704955109314,0.9559660064423274,0.9948341443355493,0.9904992803783154,0.9816924816667809
EOS-2-21277,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5c(F)ccc(F)c5F)n34)ccn2)c1,XRYLJCUOWMZMBF-UHFFFAOYSA-N,2,1,0.593,88,732,465.41,5.031,5,0.26,0.74,1.0,0.9732797614968131,0.959821122609828,0.9689277636899458,0.970367007059146,0.9680989137139332
EOS-2-21278,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ccc2F)c1,AIIKAURUGCYDPM-UHFFFAOYSA-N,2,1,0.54,57,461,465.41,5.648,5,0.303,0.78,1.0,0.9404598725241587,0.9508001507778767,0.9791566719210473,0.9757299019943801,0.9615366493043658
EOS-2-21279,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)cc1,OQPRQINZQCQTAJ-UHFFFAOYSA-N,2,1,0.615,1,138,465.41,5.59,5,0.317,0.81,1.0,0.9857018024809814,0.9568826673977109,0.9943629634706326,0.9894798163251319,0.9816068124186141
EOS-2-21280,Fc1cc(-c2nnc3cncc(Oc4cnc(-c5ccnnc5)nn4)n23)ccc1-c1cnccn1,PAGWFCCQFNTEGG-UHFFFAOYSA-N,2,1,0.398,80,355,465.412,2.822,6,0.371,0.59,1.0,0.7513021725721335,0.677583784524707,0.3229473648139264,0.3256373792063601,0.5193676752792817
EOS-2-21281,Fc1cc(-c2nnc3cncc(Oc4cnc(-c5cncnn5)cn4)n23)ccc1-c1cnccn1,VORZNRRTZCGXAU-UHFFFAOYSA-N,2,1,0.402,80,277,465.412,2.822,6,0.371,0.66,1.0,0.7391457062572819,0.6534164896168871,0.36399150161058186,0.34824549379754643,0.5261997978205744
EOS-2-21282,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1c(C)oc(=O)n1C,RKDAFBQAXUMUGH-UHFFFAOYSA-N,2,1,0.473,13,209,465.416,4.138,5,0.385,0.59,1.0,0.6079860873140978,0.5760742923720101,0.6764186827496402,0.5784901651703105,0.6097423069015147
EOS-2-21283,COc1ccc(-n2ncc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)cc1,IBUYBNPXHDWGKO-UHFFFAOYSA-N,2,1,0.632,1,996,465.42,3.561,5,0.343,0.76,1.0,0.3380165855664451,0.4881348091289151,0.7289339318758139,0.5967805496538963,0.5379664690562675
EOS-2-21284,COc1nc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1-c1noc(C)n1,CYLSYORITVLIOC-UHFFFAOYSA-N,2,1,0.469,49,896,465.42,3.453,5,0.356,0.61,1.0,0.6663868137893222,0.48814337605373176,0.3565125762456309,0.29451374134740593,0.4513891268590227
EOS-2-21285,COc1ccc(-n2cnnc2COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,ZKELGZUKCHWXSQ-UHFFFAOYSA-N,2,1,0.613,1,996,465.42,3.561,5,0.343,0.76,1.0,0.6192430265231992,0.5429288602563224,0.7580786101021177,0.6386214104585018,0.6397179768350353
EOS-2-21286,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cn5)n34)cc2)nc1,JIDQKOUERQBJGO-UHFFFAOYSA-N,2,1,0.371,42,977,465.427,4.046,6,0.384,0.72,1.0,0.3610530463984648,0.43974025083955864,0.5618874648756083,0.5722448769789596,0.4837314097731478
EOS-2-21287,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cn2)cc1F,CKOAPORPWIJKNH-UHFFFAOYSA-N,2,1,0.326,94,106,465.427,4.046,6,0.384,0.71,1.0,0.3633232814748818,0.49764409567541634,0.7490833390446165,0.7550716194914674,0.5912805839215955
EOS-2-21288,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(F)nn6)cn5)n34)cc2)nc1,DUBUXWQEZOHXDT-UHFFFAOYSA-N,2,1,0.355,32,572,465.427,4.046,6,0.384,0.66,1.0,0.36333184839969845,0.4573281474881776,0.6364711123295183,0.670207662257556,0.5318346926187376
EOS-2-21289,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccnc(F)c6)ncn5)n34)cn2)ccn1,NAWJPKMYBJWEOR-UHFFFAOYSA-N,2,1,0.31,32,723,465.427,4.046,6,0.359,0.67,1.0,0.26243917483380164,0.365148036460832,0.7314783085463642,0.7262610513330136,0.5213316427935029
EOS-2-21290,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5cnc(F)c(-c6ccccn6)c5)n34)cn2)nc1,XKDGTOVSGSVZDZ-UHFFFAOYSA-N,2,1,0.306,94,989,465.427,4.046,6,0.359,0.71,1.0,0.3104739222808581,0.3842865465012679,0.587836680145295,0.6211877184565828,0.47594621684600097
EOS-2-21291,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)nc4)n23)nc1,OXRQYUMOZDFLOY-UHFFFAOYSA-N,2,1,0.294,42,902,465.427,4.046,6,0.384,0.65,0.998,0.3255517099581934,0.40810259749160444,0.5419693646768556,0.5967891165787129,0.4681031971763416
EOS-2-21292,Fc1cc(-c2cccnc2F)ccc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cn3)n12,BBZXRZNOVRRWLJ-UHFFFAOYSA-N,2,1,0.321,32,572,465.427,4.046,6,0.359,0.6,0.996,0.347405935165513,0.4356709615516414,0.7628075526009184,0.7776368994585704,0.5808803371941608
EOS-2-21293,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)cn5)n34)cc2F)nc1,QKQCDGMVGJULFL-UHFFFAOYSA-N,2,1,0.372,42,72,465.427,4.046,6,0.384,0.75,1.0,0.3588256459461312,0.4662291823726955,0.6332756493729012,0.6557466931670207,0.5285192927146871
EOS-2-21294,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cn2)cc1F,QIQFORIWUIPVBT-UHFFFAOYSA-N,2,1,0.301,32,572,465.427,4.046,6,0.384,0.7,0.998,0.36106161332328146,0.417577616338839,0.7722825714481529,0.7892964841340553,0.5850545713110822
EOS-2-21295,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnc(F)cn6)cn5)n34)cn2)cc1,VLPGYHPZQHCTOX-UHFFFAOYSA-N,2,1,0.414,32,443,465.427,4.046,6,0.384,0.7,1.0,0.29501062298677266,0.4835172366527311,0.6486875471180865,0.6906397779453087,0.5294637961757247
EOS-2-21296,Fc1cc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cnc1F,CBQPZUZCNGGETL-UHFFFAOYSA-N,2,1,0.347,42,106,465.427,4.046,6,0.359,0.72,1.0,0.35883421287094786,0.4748218079638133,0.6514717976835035,0.6386299773833185,0.5309394489753958
EOS-2-21297,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(F)cn6)n5)n34)cc2)nc1,WVGJBMRKHNRHKC-UHFFFAOYSA-N,2,1,0.342,3,186,465.427,4.046,6,0.384,0.75,1.0,0.32296449866355975,0.46191145226509495,0.6039253649509972,0.6730347474470564,0.5154590158316771
EOS-2-21298,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)c(-c2cccnc2)nc1F,LILNUPXQJSJFCC-UHFFFAOYSA-N,2,1,0.31,42,977,465.427,4.046,6,0.359,0.67,0.954,0.3588427797957645,0.41290864231375507,0.5521468713590569,0.57530326913851,0.47480039065177165
EOS-2-21299,Oc1cc(-c2nnc3cncc(OCc4nc(-c5cnccn5)no4)n23)ccc1-c1ccncc1,CAUWCXOSUZTATI-UHFFFAOYSA-N,2,1,0.414,80,355,465.433,2.978,6,0.386,0.58,1.0,0.2893478856829552,0.3171132890137756,0.1866047563566582,0.1809420190528408,0.24350198752655744
EOS-2-21300,COc1nc(-c2nnc3cncc(Oc4ccc(-c5cccnn5)nc4)n23)ccc1-c1ncco1,LECDLTJOKWEWOP-UHFFFAOYSA-N,2,1,0.35,6,984,465.433,3.494,6,0.357,0.56,0.911,0.3930419436639024,0.13885271742855185,0.17033616612980604,0.107514906449181,0.20243643341786033
EOS-2-21301,COc1ncccc1-c1ccc(-c2nnc3cncc(Oc4cccc(-c5nnco5)n4)n23)cn1,DLRNEWRDIZESGE-UHFFFAOYSA-N,2,1,0.416,28,870,465.433,3.494,6,0.357,0.65,0.999,0.41475053114933863,0.20967548488794463,0.19332122541292576,0.1170670276197656,0.23370356726749364
EOS-2-21302,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(-n5cccc5)cc4)n23)cc1,UFTSLFPASFQRPX-UHFFFAOYSA-N,2,1,0.662,79,640,465.435,5.102,5,0.335,0.74,1.0,0.9015146323075869,0.8541309711465972,0.9814526077719142,0.9557775340963608,0.9232189363306148
EOS-2-21303,FC(F)(F)OCc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1,XJDCCZZQJQSDOO-UHFFFAOYSA-N,2,1,0.575,1,138,465.435,5.197,5,0.331,0.71,1.0,0.9180316633541225,0.7612055376602015,0.9884003837982318,0.9693389760811459,0.9092441402234255
EOS-2-21304,N=c1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cn2)c[nH]1,NPJFKJPYTOSPPQ-UHFFFAOYSA-N,2,1,0.394,6,218,465.437,2.08,6,0.371,0.61,0.998,0.3953036118155027,0.35082413816736346,0.142407991227469,0.09312247275717908,0.24541455349187857
EOS-2-21305,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ncccn6)n5)n34)cn2)o1,PCCVKFYMZCFODM-UHFFFAOYSA-N,2,1,0.433,80,34,465.437,2.371,6,0.354,0.62,1.0,0.3403981906654787,0.27092899732711945,0.02901617435405387,0.018247549859502433,0.1646477280515386
EOS-2-21306,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nn2)no1,QODKHYBZHVHZOR-UHFFFAOYSA-N,2,1,0.44,80,8,465.437,2.371,6,0.354,0.6,1.0,0.3865225138784182,0.3409379069289288,0.03385648687547118,0.03388218764992119,0.19879977383318484
EOS-2-21307,c1ccc(Oc2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nn2)cc1,HKMYAJQJLPNQNU-UHFFFAOYSA-N,2,1,0.417,6,584,465.437,2.528,6,0.37,0.59,1.0,0.4170207662257556,0.3508327050921801,0.07864436981701049,0.07103694057980947,0.22938369542868892
EOS-2-21308,N=c1ncc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6ncon6)n5)n34)c2)c[nH]1,FYAAUGRNQLYZES-UHFFFAOYSA-N,2,1,0.396,80,200,465.437,2.08,6,0.371,0.55,1.0,0.35885134672058117,0.2502998423685834,0.16097251730518813,0.11241518744431499,0.22063472345966692
EOS-2-21309,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nn2)no1,DTROTYFKZGEHLB-UHFFFAOYSA-N,2,1,0.424,80,34,465.437,2.371,6,0.354,0.64,1.0,0.3517922006716469,0.34094647385374544,0.029024741278870538,0.027988143376053733,0.18743788979507914
EOS-2-21310,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccon6)nn5)n34)cn2)cn1,MQHBOSMFKKVECL-UHFFFAOYSA-N,2,1,0.408,80,843,465.437,2.371,6,0.354,0.61,1.0,0.3842351449523679,0.2918665615790556,0.0637893221849085,0.04848022753752313,0.19709281406346377
EOS-2-21311,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)cn5)n34)cc2)o1,RYOOUDMPQYFKHS-UHFFFAOYSA-N,2,1,0.436,71,614,465.437,2.371,6,0.354,0.66,1.0,0.45421835377972725,0.30680727845932426,0.09502433006647934,0.07104550750462614,0.23177386745253925
EOS-2-21312,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C(F)(F)F)nc5)n34)cc2)n1,OVNXPHASCMHSNN-UHFFFAOYSA-N,2,1,0.566,15,889,465.439,4.227,5,0.373,0.73,1.0,0.7540864231375506,0.7830083613186211,0.9203532999794394,0.7914553491878555,0.8122258584058667
EOS-2-21313,CCCn1cc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2F)cn1,CULLLLAEMJYSTA-UHFFFAOYSA-N,2,1,0.412,16,772,465.439,4.456,5,0.33,0.65,1.0,0.4564885888561442,0.4442293194434926,0.762816119525735,0.7317096155164142,0.5988109108354465
EOS-2-21314,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)cc1,DYUJIEMRQDMAPM-UHFFFAOYSA-N,2,1,0.57,91,520,465.439,4.109,5,0.337,0.6,1.0,0.9153245151120554,0.8541395380714139,0.7490919059694332,0.7344424645329313,0.8132496059214585
EOS-2-21315,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)cn2)cn1,AXJVKQVYFHGVCD-UHFFFAOYSA-N,2,1,0.483,27,51,465.439,4.668,5,0.363,0.74,1.0,0.4856761017065314,0.5293588513467206,0.94966074977726,0.8736549928037831,0.7095876739085738
EOS-2-21316,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)c1,QJEMUCKBUCCBRC-UHFFFAOYSA-N,2,1,0.551,88,70,465.439,4.109,5,0.337,0.69,1.0,0.5681841546158591,0.5523696114042903,0.6789630594201905,0.6822184908505243,0.620433829072716
EOS-2-21317,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5C(F)(F)F)n34)cn2)n1,CZOKRFAOUZYBBC-UHFFFAOYSA-N,2,1,0.527,84,73,465.439,4.227,5,0.373,0.76,1.0,0.6756647933657735,0.6874443149886916,0.9267956274415736,0.8336217531354945,0.7808816222328833
EOS-2-21318,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(C(F)(F)F)n5)n34)cc2)n1,YSEMCMAFUSODAY-UHFFFAOYSA-N,2,1,0.552,15,889,465.439,4.227,5,0.373,0.76,1.0,0.7333201973819478,0.7785021588650538,0.8888784182030018,0.7424611061613323,0.7857904701528339
EOS-2-21319,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ccc2F)cn1,MLTLRVHHSXTRME-UHFFFAOYSA-N,2,1,0.534,37,265,465.439,4.109,5,0.36,0.7,1.0,0.7026077719141937,0.6287951476937839,0.8238640257693098,0.7914639161126722,0.7366827153724899
EOS-2-21320,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cc(F)cc4F)n23)cc1,DXTQZMFORAJLCW-UHFFFAOYSA-N,2,1,0.588,91,520,465.439,4.109,5,0.36,0.59,1.0,0.8764563772188335,0.8114676855595915,0.7341854567884313,0.7235710369405798,0.7864201391268589
EOS-2-21321,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cccc(C(F)(F)F)c1,XOGDBYKKSPNHAT-UHFFFAOYSA-N,2,1,0.478,95,54,465.439,4.227,5,0.373,0.82,1.0,0.44954937975464326,0.4129172092385717,0.9176461517373724,0.847148927421013,0.6568154170379001
EOS-2-21322,CCn1cnc(-c2cccc(F)c2)c1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,CAUYXWFQYDQURB-UHFFFAOYSA-N,2,1,0.463,27,69,465.439,4.725,5,0.346,0.69,1.0,0.559574395175108,0.5813172503598109,0.7537608799945171,0.6963110821739429,0.6477409019258447
EOS-2-21323,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(F)c1,QPSDFKWWODNQDA-UHFFFAOYSA-N,2,1,0.495,26,161,465.439,3.919,5,0.346,0.66,1.0,0.7058803371941608,0.6483277362757864,0.7417671852511822,0.7235796038653964,0.7048887156466315
EOS-2-21324,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ncc4F)n23)ccc1F,OGOPPAXHBHYAHS-UHFFFAOYSA-N,2,1,0.516,26,125,465.439,4.109,5,0.337,0.68,1.0,0.7716657528613529,0.7024107326434104,0.8238725926941265,0.7801384415050373,0.7695218799259818
EOS-2-21325,CC(F)(F)n1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1,AWOQMZJWZGSLMJ-UHFFFAOYSA-N,2,1,0.679,91,660,465.439,4.38,5,0.355,0.64,1.0,0.7088530601055445,0.7701237063943527,0.8741518744431499,0.7893050510588719,0.7856084230004797
EOS-2-21326,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)ccn1,NKLMJUKVFYOFPH-UHFFFAOYSA-N,2,1,0.483,27,51,465.439,4.668,5,0.363,0.74,1.0,0.5762284970187102,0.5338564868754712,0.9514512370639435,0.8790864231375506,0.7351556610239189
EOS-2-21327,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)ccn1,PMOFBIIYUITAQY-UHFFFAOYSA-N,2,1,0.543,26,864,465.439,4.109,5,0.337,0.68,1.0,0.6538277020080872,0.552378178329107,0.8166592419984923,0.7603488451785347,0.6958034918785553
EOS-2-21328,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ncnn6)nn5)n34)cn2)nn1,UANJJVDUXVHUCN-UHFFFAOYSA-N,2,1,0.398,71,502,465.441,1.296,6,0.347,0.56,0.999,0.1741484476732232,0.16556438900692208,0.026728805428003564,0.018830100747035845,0.09631793571379617
EOS-2-21329,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cn2)n1,DTPWMBJHMGXWCI-UHFFFAOYSA-N,2,1,0.398,80,816,465.441,1.203,6,0.346,0.59,1.0,0.3026951545473237,0.20968405181276129,0.03386505380028785,0.024218696456719896,0.14261573915427317
EOS-2-21330,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnc5)nn4)n23)cc1,FEBFYGIMTSPEFM-UHFFFAOYSA-N,2,1,0.466,71,614,465.441,1.203,6,0.346,0.61,1.0,0.39082311013638543,0.23476800767596465,0.015112055376602014,0.017150983482968955,0.16446353916798026
EOS-2-21331,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cn2)n1,KCWMIEYKTDJWDC-UHFFFAOYSA-N,2,1,0.387,80,855,465.441,1.203,6,0.346,0.63,1.0,0.3404067575902954,0.2196302515249126,0.03127784250565417,0.022582413816736344,0.15347431635939962
EOS-2-21332,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)cn5)n34)cc2)n1,ZNZONDWFEHPJLV-UHFFFAOYSA-N,2,1,0.452,71,614,465.441,1.203,6,0.346,0.6,1.0,0.3930505105887191,0.18676752792817491,0.04209786854910561,0.03389075457473785,0.16395166541018438
EOS-2-21333,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cccnn6)cn5)n34)cn2)n1,WKHXFRHCCPFBOD-UHFFFAOYSA-N,2,1,0.412,99,816,465.441,1.203,6,0.346,0.63,1.0,0.3132581728462751,0.20474093619354397,0.02361901171955315,0.01715955040778562,0.13969441779178945
EOS-2-21334,Cn1nncc1-c1ncc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)cn1,GLZJFROOSFBCMR-UHFFFAOYSA-N,2,1,0.374,80,816,465.441,1.203,6,0.346,0.65,1.0,0.2189962990884792,0.10869714207388116,0.021554382838736206,0.01716811733260229,0.09160398533342473
EOS-2-21335,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1-c1ccccc1,JXDINGZROOVFGA-UHFFFAOYSA-N,2,1,0.511,12,897,465.448,4.621,6,0.351,0.67,1.0,0.7422812007401823,0.6430162428894524,0.6189431841546159,0.5967976835035296,0.6502595778219451
EOS-2-21336,Fc1ccc(-c2ncoc2COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,LKAIDZVJIZITRR-UHFFFAOYSA-N,2,1,0.467,41,427,465.448,4.621,6,0.328,0.68,1.0,0.9165924199849222,0.8038174216983072,0.6247172914810499,0.5909464738537454,0.7340184017545062
EOS-2-21337,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cc(F)ccn4)cc3)n12,CSXCSZDGPTWOBI-UHFFFAOYSA-N,2,1,0.345,69,152,465.448,4.718,6,0.36,0.7,1.0,0.621933040915633,0.5618617641011583,0.7467360016448495,0.6851226783633747,0.6539133712562538
EOS-2-21338,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(-c6ccccc6)o5)cn4)n23)cc1,AYVWIRAXXBTCPF-UHFFFAOYSA-N,2,1,0.578,12,897,465.448,4.621,6,0.351,0.73,1.0,0.7513107394969502,0.7742272633815366,0.5722191762045097,0.5722534439037763,0.6675026557466932
EOS-2-21339,COc1nc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)c(F)c3)n12,KWBJTBNVLFGVCD-UHFFFAOYSA-N,2,1,0.344,32,20,465.448,4.718,6,0.36,0.67,1.0,0.7272205469124803,0.5866201768213282,0.6397865122335686,0.572262010828593,0.6314723116989924
EOS-2-21340,Fc1ncccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)nc1,CFZHOACAJJHOHY-UHFFFAOYSA-N,2,1,0.565,41,592,465.448,4.621,6,0.328,0.67,1.0,0.7272291138372969,0.6579483928449044,0.7055719279007607,0.6296861078747172,0.6801088856144197
EOS-2-21341,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccnc5Oc5ccc(F)cc5)n34)cc2)o1,GCXQQQSYLNPNEI-UHFFFAOYSA-N,2,1,0.419,3,152,465.448,5.143,6,0.345,0.76,1.0,0.5311750394078542,0.6102049208416147,0.6039339318758139,0.562589952710575,0.5769759612089644
EOS-2-21342,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)c1,BPFJDQREUCVJGF-UHFFFAOYSA-N,2,1,0.583,41,592,465.448,4.621,6,0.351,0.68,1.0,0.7361644164210814,0.6288037146186005,0.7185251182235625,0.6615293674182715,0.686255654170379
EOS-2-21343,COc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)c1,FQGZKLJIWZHKMZ-UHFFFAOYSA-N,2,1,0.333,69,923,465.448,4.718,6,0.36,0.7,1.0,0.5623672126653416,0.5663679665547255,0.6952573504214927,0.6473682406963196,0.6178401925844699
EOS-2-21344,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccno5)n4)n23)cc1-c1cccnc1,MPVVKQGTWFEOMX-UHFFFAOYSA-N,2,1,0.552,41,667,465.448,4.621,6,0.351,0.69,1.0,0.6508978137207868,0.6677403879103557,0.7005431430333767,0.673043314371873,0.673056164759098
EOS-2-21345,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1-c1nnco1,SICDNNXIOASOSZ-UHFFFAOYSA-N,2,1,0.553,77,323,465.448,4.621,6,0.351,0.73,1.0,0.9094133369885546,0.7117144129943116,0.7314868754711809,0.6963196490987595,0.7622335686382017
EOS-2-21346,Fc1ccccc1-c1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)no1,LMFLIFYBHYPFLQ-UHFFFAOYSA-N,2,1,0.462,12,427,465.448,4.621,6,0.351,0.8,1.0,0.7242992255499966,0.6151052018367487,0.4970444109382496,0.5297015283393873,0.5915375916660954
EOS-2-21347,Fc1cc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,ARHMPVWHNMQDJO-UHFFFAOYSA-N,2,1,0.506,77,323,465.448,4.621,6,0.351,0.69,1.0,0.907854156671921,0.702419299568227,0.7898362003975054,0.755080186416284,0.7887974607634844
EOS-2-21348,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)no2)nc1,FUYKTJLWFZCTOX-UHFFFAOYSA-N,2,1,0.471,12,285,465.448,4.621,6,0.351,0.77,1.0,0.7026163388390103,0.643024809814269,0.4730912891508464,0.5363922966212048,0.5887811836063326
EOS-2-21349,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccn6)no5)n34)cc2)cc1,HJZHJPCAAPZHFM-UHFFFAOYSA-N,2,1,0.553,12,492,465.448,4.621,6,0.351,0.82,1.0,0.6509063806456035,0.7529555890617504,0.5040864231375506,0.5592488520320745,0.6167993112192448
EOS-2-21350,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)ncn2)ccn1,XXCSUFQUAFRLGN-UHFFFAOYSA-N,2,1,0.479,40,120,465.448,4.621,6,0.328,0.63,1.0,0.6905969433212255,0.6288122815434172,0.7157237338085121,0.6644678226303886,0.674900195325886
EOS-2-21351,Fc1cccc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6ccno6)n5)n34)c2)c1,KIZUHTZMTRAQNB-UHFFFAOYSA-N,2,1,0.505,28,667,465.448,4.621,6,0.351,0.69,1.0,0.48568466863134807,0.5066822013570009,0.6789716263450072,0.6730518812966897,0.5860975944075115
EOS-2-21352,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)no2)c1,FBNZJGOPTISSQV-UHFFFAOYSA-N,2,1,0.484,41,492,465.448,4.621,6,0.351,0.75,1.0,0.6418511411143856,0.6006613665958468,0.5686810362552258,0.5998475087382633,0.6027602631759303
EOS-2-21353,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)no2)cc1,ZJUBRHKMJMPKID-UHFFFAOYSA-N,2,1,0.506,12,427,465.448,4.621,6,0.351,0.82,1.0,0.62466588993215,0.6384072373380851,0.5317061887464876,0.5561904598725241,0.5877424439723117
EOS-2-21354,Fc1ccncc1-c1cccc(-c2nnc3cncc(OCc4noc(-c5ccccc5)n4)n23)c1,LYNNSZMIDOKZAX-UHFFFAOYSA-N,2,1,0.436,12,177,465.448,4.621,6,0.351,0.8,1.0,0.5623757795901583,0.5107686244945514,0.5453361661298061,0.5784987320951271,0.5492448255774107
EOS-2-21355,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cn2)c1,RVMJWTLCOGWBAU-UHFFFAOYSA-N,2,1,0.5,40,355,465.448,4.621,6,0.351,0.68,1.0,0.7971523541909397,0.672632101980673,0.6789801932698238,0.6502295935850867,0.6997485607566308
EOS-2-21356,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)nc1-c1cccnn1,TZWHEOJMXKOJMD-UHFFFAOYSA-N,2,1,0.511,81,120,465.448,4.621,6,0.351,0.72,1.0,0.756990610650401,0.6534250565417038,0.6099479130971147,0.5940562675621959,0.6536049619628539
EOS-2-21357,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cnc1-c1ccccc1,CWDKITNZWNLJMS-UHFFFAOYSA-N,2,1,0.512,77,323,465.448,4.621,6,0.351,0.67,1.0,0.895192241792886,0.6337810979370845,0.6735915975601399,0.6415598656706188,0.7110312007401822
EOS-2-21358,COc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc(F)cn4)cc3)n12,BAVKCGMZITUZBT-UHFFFAOYSA-N,2,1,0.37,41,867,465.448,4.718,6,0.36,0.73,1.0,0.7116801452950449,0.542937427181139,0.7131279555890617,0.6238948666986499,0.6479100986909738
EOS-2-21359,COc1ncc(-c2cccc(F)n2)cc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,DIJNUGKOGRCDEF-UHFFFAOYSA-N,2,1,0.341,41,30,465.448,4.718,6,0.337,0.6,1.0,0.6107703378795147,0.5429459941059557,0.6789887601946405,0.59985607566308,0.6081402919607977
EOS-2-21360,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)nn5)n34)cc2)cc1,JOFNKAJEEBDFME-UHFFFAOYSA-N,2,1,0.536,12,492,465.448,4.621,6,0.351,0.63,1.0,0.7243077924748133,0.7395397847988486,0.6707131108217395,0.6761102734562402,0.7026677403879105
EOS-2-21361,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cn4)n23)cc1,WRXXQCBNEXRKCG-UHFFFAOYSA-N,2,1,0.566,12,285,465.448,4.621,6,0.351,0.71,1.0,0.714927009800562,0.6534336234665205,0.6952659173463094,0.6877698581317251,0.6878491021862791
EOS-2-21362,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3ocnc3-c3ccncc3)n12,OVFXTMRAPASNDY-UHFFFAOYSA-N,2,1,0.456,41,78,465.448,4.621,6,0.351,0.66,1.0,0.8804314303337674,0.7995510931396066,0.6789973271194572,0.6585395106572545,0.7543798403125214
EOS-2-21363,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(COCO)n5C)n34)cc2F)n1,VFUUYMCFVPCTJK-UHFFFAOYSA-N,2,1,0.435,36,404,465.449,1.505,5,0.339,0.56,1.0,0.5106058529230347,0.5338650538002878,0.08578061818929478,0.0892844904393119,0.30488400383798236
EOS-2-21364,Cc1nc(CCOc2cncc3nnc(-c4cccc(-c5csc(C)n5)c4)n23)cs1,BXMAQPOPIAIGKR-UHFFFAOYSA-N,2,1,0.536,15,684,434.55,4.61,5,0.388,0.83,1.0,0.5908008361318621,0.4794565142896306,0.13632547460763483,0.10752347337399767,0.3285265746007813
EOS-2-21365,CCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)s1,NUORFJYQHQEBQM-UHFFFAOYSA-N,2,1,0.531,75,496,434.55,4.555,5,0.374,0.68,1.0,0.42174970872455625,0.3750514015489,0.13633404153245152,0.12392913439791653,0.26426607155095605
EOS-2-21366,Cc1noc(-c2ccc(-c3cncc4nnc(-c5cnc(C)nc5-c5ccc(F)cc5)n34)nc2)n1,QNHGYBMCAIIXEO-UHFFFAOYSA-N,2,1,0.346,32,321,465.452,4.116,6,0.378,0.64,0.998,0.3104824892056747,0.40343362346652045,0.27140874511685287,0.28855116167500516,0.31846900486601326
EOS-2-21367,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2)nc1,HISFNXCMUVJMOS-UHFFFAOYSA-N,2,1,0.462,81,932,465.452,3.547,6,0.367,0.72,1.0,0.4352768830100747,0.4081111644164211,0.437538551161675,0.4309677198272908,0.4279735796038654
EOS-2-21368,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nn2)nc1,IAVVKOOGWWKALT-UHFFFAOYSA-N,2,1,0.551,40,25,465.452,3.547,6,0.367,0.71,1.0,0.2676478651223357,0.3892296621204852,0.4413679665547255,0.4687821259680625,0.3917569049414022
EOS-2-21369,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)c1,YRUNBOILCHBCJG-UHFFFAOYSA-N,2,1,0.443,40,763,465.452,3.752,6,0.395,0.6,1.0,0.702624905763827,0.6337896648619011,0.5654084709752587,0.5332739359879378,0.6087742443972312
EOS-2-21370,Cn1ccnc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c(F)c1,YNMKQFXMGFEKEB-UHFFFAOYSA-N,2,1,0.371,6,318,465.452,3.975,6,0.376,0.77,1.0,0.6107789048043314,0.5066907682818176,0.3793605647316839,0.33213967514221093,0.4572424782400109
EOS-2-21371,Fc1ccc(-c2ncncc2COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,NEYIGLPBQQLBDI-UHFFFAOYSA-N,2,1,0.534,40,611,465.452,3.752,6,0.395,0.67,1.0,0.9322613254746076,0.7612141045850181,0.5722277431293263,0.5561990267973408,0.7054755499965732
EOS-2-21372,Fc1cnncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)cc1,KBJHHLRHGSHIEF-UHFFFAOYSA-N,2,1,0.511,40,2,465.452,3.547,6,0.367,0.67,1.0,0.46092625591117814,0.41758618326365565,0.6039424988006306,0.5562075937221574,0.5096656329244055
EOS-2-21373,Cc1nc(C)c(-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)c(-c2ccc(F)cc2)n1,UJTREYQVXZBSRH-UHFFFAOYSA-N,2,1,0.325,42,977,465.452,4.116,6,0.378,0.64,1.0,0.3818192721540676,0.4129257761633884,0.23197519018573093,0.27080049345486945,0.3243801829895141
EOS-2-21374,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)c5)n34)nc2)cc1,CDSPKUYXLHZJJX-UHFFFAOYSA-N,2,1,0.473,77,177,465.452,3.752,6,0.395,0.81,1.0,0.7026334726886437,0.6288208484682338,0.6099564800219314,0.6239034336234666,0.6413285587005688
EOS-2-21375,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cc4)n23)cc1-c1cncnc1,QRXCLNUCKNHBHT-UHFFFAOYSA-N,2,1,0.534,40,247,465.452,3.547,6,0.367,0.73,1.0,0.42881742169830717,0.42203241724350626,0.708013501473511,0.6644763895552053,0.5558349324926324
EOS-2-21376,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)cn1,ZDHBJVQSANGOKN-UHFFFAOYSA-N,2,1,0.473,40,425,465.452,3.752,6,0.369,0.69,1.0,0.8336560208347612,0.5866287437461449,0.660021588650538,0.5998646425878966,0.6700427489548353
EOS-2-21377,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)ccc1-c1ccncc1,SORVNBWVCFMAAQ-UHFFFAOYSA-N,2,1,0.593,77,190,465.452,3.752,6,0.395,0.73,1.0,0.8454783770817628,0.6534421903913371,0.7005517099581934,0.6761188403810569,0.7188977794530875
EOS-2-21378,Cc1ncc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)cn2)nn1,HQAYYJZRWFTZIA-UHFFFAOYSA-N,2,1,0.313,42,303,465.452,4.116,6,0.378,0.71,1.0,0.33802515249126175,0.4356795284764581,0.41902542663285586,0.38049139880748406,0.3933053766020149
EOS-2-21379,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Oc6ccccc6)cc5F)n34)cn2)n1,CGOXJZRAJJMNIB-UHFFFAOYSA-N,2,1,0.357,30,960,465.452,3.975,6,0.376,0.72,0.996,0.26506922075251865,0.3892382290453019,0.4047529298882873,0.4531046535535604,0.378041258309917
EOS-2-21380,Fc1cc(-c2nnc3cncc(OCc4cnn(-c5ccccc5)n4)n23)ccc1-c1cncnc1,DOLBMYNWDDAABX-UHFFFAOYSA-N,2,1,0.465,40,868,465.452,3.547,6,0.367,0.66,1.0,0.37024535672674935,0.3701596874785827,0.4697587553971626,0.47487320951271333,0.42125925227880195
EOS-2-21381,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)cc4F)n23)cn1,YUJREGACJGFPGS-UHFFFAOYSA-N,2,1,0.419,80,147,465.452,3.975,6,0.376,0.66,1.0,0.7361729833458982,0.6430333767390858,0.5040949900623672,0.4531132204783771,0.5841036426564321
EOS-2-21382,Fc1cccc(-n2ncc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)c1,KYZUICQFPVSNBC-UHFFFAOYSA-N,2,1,0.453,40,868,465.452,3.547,6,0.367,0.7,1.0,0.3796090055513673,0.41293434308820504,0.4871496127749983,0.4990405044205332,0.444683366458776
EOS-2-21383,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5cccnc5Oc5ccccc5)n34)cn2)nn1,ISNFFVFPDZZQAX-UHFFFAOYSA-N,2,1,0.343,10,945,465.452,3.975,6,0.376,0.61,0.999,0.2383404153245151,0.3651566033856487,0.38655678157768486,0.3931190459872524,0.3457932115687753
EOS-2-21384,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1-n1cccc1,NCFQQTFSAYZLQY-UHFFFAOYSA-N,2,1,0.421,28,297,465.452,3.547,6,0.367,0.53,1.0,0.46330786101021176,0.4619200191899116,0.2714173120416695,0.2708090603796861,0.3668635631553697
EOS-2-21385,Fc1cccc(-n2cnc(COc3cncc4nnc(-c5ccnc(-c6ccccn6)c5)n34)n2)c1,YQWQDPODOBBWFT-UHFFFAOYSA-N,2,1,0.448,28,297,465.452,3.547,6,0.367,0.68,1.0,0.31569974641902543,0.29187512850387226,0.352794530875197,0.3804999657323007,0.33521734288259886
EOS-2-21386,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ccc1-c1nn[nH]n1,PTYRXLSRBGRIGU-UHFFFAOYSA-N,2,1,0.462,77,177,465.452,3.752,6,0.395,0.8,1.0,0.6997035844013433,0.6288294153930505,0.572236310054143,0.5968062504283462,0.6243938900692207
EOS-2-21387,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)nc1,JTCAEWTZPFIUHH-UHFFFAOYSA-N,2,1,0.438,40,763,465.452,3.752,6,0.395,0.67,1.0,0.730424576793914,0.657956959769721,0.5184445891302858,0.48984819409224867,0.5991685799465424
EOS-2-21388,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cn3)n12,RDQYJMCNCWSPAS-UHFFFAOYSA-N,2,1,0.534,40,547,465.452,3.547,6,0.367,0.62,1.0,0.3994328695771366,0.4528990473579604,0.49029367418271536,0.4372130080186416,0.44495964978411345
EOS-2-21389,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1-n1cccn1,XOIDBHZORTYZQK-UHFFFAOYSA-N,2,1,0.483,40,355,465.452,3.547,6,0.367,0.64,1.0,0.4856932355561648,0.36516517031046536,0.5041035569871839,0.4808186553354808,0.4589451545473237
EOS-2-21390,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5cncn5)cn4)n23)cnc1-c1ccccc1,NKDXPPFOMXZASI-UHFFFAOYSA-N,2,1,0.495,28,363,465.452,3.547,6,0.367,0.67,1.0,0.42395997532725654,0.35579295456103077,0.48715817969981495,0.46879069289287917,0.43392545062024535
EOS-2-21391,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)nc1-n1cccn1,NZZOEQHUHLFQNY-UHFFFAOYSA-N,2,1,0.5,81,932,465.452,3.547,6,0.367,0.59,1.0,0.31826982386402575,0.33605475978342814,0.4697673223219793,0.45312178740319375,0.3943034233431567
EOS-2-21392,Fc1ccncc1-c1cc(-c2nnc3cncc(OCc4cccc(-n5cccn5)n4)n23)ccn1,VADUBEHGDBVQGK-UHFFFAOYSA-N,2,1,0.495,6,414,465.452,3.547,6,0.367,0.64,1.0,0.31827839078884246,0.28106366938523747,0.469775889246796,0.4402371324789254,0.37733877047495035
EOS-2-21393,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccc(F)cn6)nc5)n34)cc2)n[nH]1,ZJEBUUJIHSBDLE-UHFFFAOYSA-N,2,1,0.466,40,870,465.452,4.273,6,0.401,0.7,1.0,0.7272376807621136,0.6534507573161538,0.4762610513330135,0.42794359536700705,0.571223271194572
EOS-2-21394,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncccn6)nn5)n34)cc2F)cc1,QPPLSQXKEWLORW-UHFFFAOYSA-N,2,1,0.375,3,618,465.452,3.644,6,0.38,0.71,1.0,0.042860324857789046,0.26566033856486876,0.47309985607566307,0.4687992598176958,0.3126049448290042
EOS-2-21395,COc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cc5)n34)nn2)c1,NUAPXAKOONCESP-UHFFFAOYSA-N,2,1,0.358,38,620,465.452,3.644,6,0.355,0.7,1.0,0.039939003495305325,0.2810722363100541,0.5453447330546227,0.5130045918717018,0.34484014118292095
EOS-2-21396,COc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cc4)n23)n1,HNFQEXLCJMALHK-UHFFFAOYSA-N,2,1,0.348,3,158,465.452,3.644,6,0.38,0.75,1.0,0.13330991707216777,0.2865122335686382,0.34499862929202935,0.3805085326571174,0.28633232814748816
EOS-2-21397,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4cncnc4-c4ccccc4)n23)c(F)c1,FHMNLJYVEQIKSH-UHFFFAOYSA-N,2,1,0.429,67,722,465.452,3.975,6,0.376,0.74,1.0,0.5389109725173052,0.5479490781988897,0.43754711808649166,0.4531303543280104,0.4943843807826742
EOS-2-21398,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cc1,ALKKTGWFXOXCBD-UHFFFAOYSA-N,2,1,0.483,40,807,465.452,3.547,6,0.367,0.7,1.0,0.39944143650195324,0.43568809540127473,0.5041121239120006,0.5163542594750189,0.4638989788225618
EOS-2-21399,Fc1cc(-c2nn[nH]n2)ccc1COc1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,VHBFUKQDXGVCIP-UHFFFAOYSA-N,2,1,0.5,77,190,465.452,3.752,6,0.395,0.73,1.0,0.8745031183606332,0.6579655266945378,0.6842402851072579,0.6730604482215065,0.7224423445959839
EOS-2-21400,Fc1ncccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nn1,BBNYTZOWOJZFGP-UHFFFAOYSA-N,2,1,0.463,81,763,465.452,3.752,6,0.369,0.66,1.0,0.6360770337879514,0.6240490713453499,0.5215715166883695,0.4898567610170653,0.5678885957096841
EOS-2-21401,COc1ncc(-c2ncc(F)cn2)cc1-c1cncc2nnc(-c3ccc(-c4cn[nH]c4)cc3)n12,FDURDODJMHUVFO-UHFFFAOYSA-N,2,1,0.312,42,106,465.452,3.848,6,0.408,0.68,1.0,0.5030326913851004,0.5107771914193681,0.5184531560551024,0.4561116441642108,0.4970936707559454
EOS-2-21402,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)cn1,LOBYYJCBFNPEKV-UHFFFAOYSA-N,2,1,0.434,81,763,465.452,3.752,6,0.369,0.62,1.0,0.6391011582482352,0.6240576382701666,0.5585292303474745,0.5195068878075526,0.5852987286683572
EOS-2-21403,Cn1cnnc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(F)c1,SZJMWGHZZPDNOG-UHFFFAOYSA-N,2,1,0.39,67,622,465.452,3.975,6,0.376,0.77,1.0,0.5878709478445617,0.5663765334795422,0.41146939894455486,0.3931276129120691,0.48971112329518196
EOS-2-21404,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cn4)n23)cn1,MMRNOEWYUJGWQZ-UHFFFAOYSA-N,2,1,0.479,28,932,465.452,3.547,6,0.367,0.69,1.0,0.35180076759646356,0.37016825440339934,0.5386710986224384,0.522745185388253,0.4458463265026386
EOS-2-21405,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6ccccc6)n5)n34)cn2)cn1,MBXYBNHLAFIXIS-UHFFFAOYSA-N,2,1,0.402,28,363,465.452,3.547,6,0.344,0.6,1.0,0.3255602768830101,0.3508412720169968,0.3754883147145501,0.3805170995819341,0.3581017407991227
EOS-2-21406,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccc(F)cc6)nc5)n34)cc2)n1,OMTYXFXOYQTBNL-UHFFFAOYSA-N,2,1,0.524,67,722,465.452,3.975,6,0.376,0.71,1.0,0.49796963881844974,0.5760828592968268,0.4871667466246316,0.4929494208758824,0.5135421664039477
EOS-2-21407,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(F)c(C)n6)cc5)n34)nc2)o1,XWXRAEBJJRSBPR-UHFFFAOYSA-N,2,1,0.329,38,424,465.452,4.116,6,0.378,0.65,1.0,0.2519446919333836,0.3750599684737167,0.304674114179974,0.2680933452128024,0.2999430299499692
EOS-2-21408,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)nc1,GQXKWVHVYFWAEP-UHFFFAOYSA-N,2,1,0.517,40,611,465.452,3.752,6,0.395,0.73,1.0,0.9220495510931396,0.6240662051949832,0.5618960318004249,0.5061253512439174,0.6535342848331163
EOS-2-21409,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5F)nc4)n23)nc1,OEBBCOVZAIWXTN-UHFFFAOYSA-N,2,1,0.363,42,318,465.452,3.975,6,0.352,0.63,1.0,0.6331471455006511,0.5383626893290384,0.4731084230004797,0.39931293262970324,0.5109827976149681
EOS-2-21410,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnn(-c6ccccc6)n5)cn4)n23)cc1,PZVALCCVDLOMNQ-UHFFFAOYSA-N,2,1,0.539,77,177,465.452,3.547,6,0.367,0.67,1.0,0.4378555273798917,0.52483551504352,0.367649578507299,0.40526694537728736,0.43390189157699954
EOS-2-21411,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)[nH]n2)c1,OLGJFEHVWAIFRF-UHFFFAOYSA-N,2,1,0.396,81,433,465.452,3.752,6,0.395,0.71,1.0,0.5595829620999246,0.3796518401754506,0.5975258721129464,0.5877938455212117,0.5311386299773834
EOS-2-21412,Cn1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cc5)n34)c(F)c2)n[nH]c1=O,OZILSUYGNPHXSZ-UHFFFAOYSA-N,2,1,0.308,9,867,465.452,3.143,6,0.425,0.61,1.0,0.3773387704749503,0.34095504077856215,0.36015351929271466,0.40226852169145366,0.37017896305942016
EOS-2-21413,Cn1nnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c(F)c1,FOXFGKDXNNWNES-UHFFFAOYSA-N,2,1,0.411,25,791,465.452,3.975,6,0.376,0.8,1.0,0.4264615173737235,0.47946508121444725,0.4264957850729902,0.47783736549928035,0.4525649372901104
EOS-2-21414,COc1nn(-c2ncc(F)cn2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,KKUKNJWLGPRWPA-UHFFFAOYSA-N,2,1,0.315,42,945,465.452,3.644,6,0.38,0.71,1.0,0.21900486601329586,0.2761376876156535,0.2569563429511343,0.27081762730450276,0.2557291309711466
EOS-2-21415,Fc1ccncc1-c1cc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cc4)n23)ccn1,CFEZVLBQFAFYFI-UHFFFAOYSA-N,2,1,0.5,6,247,465.452,3.547,6,0.367,0.72,1.0,0.39305907751353575,0.29692961414570623,0.6364796792543349,0.5968148173531629,0.48082079706668496
EOS-2-21416,Fc1cccc(-c2cnc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cn2)c1,KFYQXHRLYNETPS-UHFFFAOYSA-N,2,1,0.484,6,547,465.452,3.547,6,0.367,0.7,1.0,0.2782537180453704,0.2554057295593174,0.45905866630114456,0.45946987869234457,0.3630469981495442
EOS-2-21417,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)cc5F)n34)cc2)cn1,VOEYJKMTHIZANB-UHFFFAOYSA-N,2,1,0.324,98,167,465.456,2.948,6,0.386,0.65,1.0,0.21901343293811254,0.2709375642519361,0.207370982112261,0.22052121170584607,0.22946079775203893
EOS-2-21418,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(-c6ncnn6C)cn5)n34)nc2)nn1,IZWALYLMEQDKCC-UHFFFAOYSA-N,2,1,0.294,70,813,465.456,2.948,6,0.386,0.64,0.77,0.10377116030429717,0.21458433280789527,0.18334932492632444,0.18913199917757523,0.17270920430402303
EOS-2-21419,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)c(-c2ccc(F)cn2)n1,BMYYFYFIWNOPRS-UHFFFAOYSA-N,2,1,0.287,86,968,465.456,2.948,6,0.386,0.56,0.999,0.22444486327187993,0.29693818107052294,0.13949523678980194,0.16193201288465492,0.20570257350421495
EOS-2-21420,Cc1cn(C)c(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnn6)nn5)n34)c(F)c2)n1,BEMBOBQNBHDFQU-UHFFFAOYSA-N,2,1,0.304,98,63,465.456,2.948,6,0.386,0.65,0.998,0.24353197176341582,0.3311887464875608,0.15772565279967102,0.18620211089027483,0.2296621204852306
EOS-2-21421,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)c(-c2ccc(F)cn2)n1,WXDJUDBGLOFIQJ-UHFFFAOYSA-N,2,1,0.297,76,968,465.456,2.948,6,0.386,0.65,1.0,0.2080820368720444,0.31205023644712493,0.13634260845726817,0.17255499965732302,0.20725747035844014
EOS-2-21422,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)nn5)n34)c(F)c2)n1,SEYNSMNCRYWPKQ-UHFFFAOYSA-N,2,1,0.318,98,63,465.456,2.948,6,0.386,0.63,0.984,0.1360684668631348,0.24039647728051539,0.2319837571105476,0.2441230895757659,0.21314294770749093
EOS-2-21423,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccc6ccccc56)nc4)n23)cc1F,KVCFFDCOXMRPGV-UHFFFAOYSA-N,2,1,0.61,57,177,465.463,5.864,6,0.319,0.82,1.0,0.9631964909875951,0.92459392776369,0.9489925296415599,0.9551093139606607,0.9479730655883765
EOS-2-21424,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5ccc(F)cc5)n34)c(F)c2)n[nH]1,NKHZRPVRPYHKNB-UHFFFAOYSA-N,2,1,0.321,83,923,465.467,5.497,6,0.372,0.66,0.993,0.26244774175861835,0.46623774929751216,0.8686347748612158,0.8805342334315674,0.6194636248372284
EOS-2-21425,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cc4)n23)c(F)c1,WZJKDYGUHHEHTN-UHFFFAOYSA-N,2,1,0.325,69,867,465.467,5.199,6,0.358,0.73,1.0,0.30270372147214036,0.41759475018847236,0.8615156603385649,0.8624580220683983,0.611068038516894
EOS-2-21426,FC(F)c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)cc1,YQNPTBVSADVIBJ-UHFFFAOYSA-N,2,1,0.357,93,991,465.467,5.644,6,0.329,0.75,1.0,0.019446919333835928,0.15777705434857103,0.9137310670961551,0.9199849222123226,0.5027349907477212
EOS-2-21427,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)c(F)c1,SWFHQEVQTAFPKO-UHFFFAOYSA-N,2,1,0.354,3,192,465.467,5.199,6,0.358,0.7,1.0,0.262456308683435,0.3987046809677198,0.8599736138715647,0.8689860187786992,0.5975301555753546
EOS-2-21428,Cn1cc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(-c5cncc(F)c5)cc4)n23)n1,KWTPTEWJPHAHSP-UHFFFAOYSA-N,2,1,0.385,69,550,465.467,5.199,6,0.358,0.74,1.0,0.19398944554862588,0.3892467959701186,0.8686433417860325,0.8901805907751353,0.5855150435199781
EOS-2-21429,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)cc5)n34)cc2F)n[nH]1,VRSTWYKDNJQFHP-UHFFFAOYSA-N,2,1,0.333,69,30,465.467,5.497,6,0.348,0.72,0.999,0.3229730655883764,0.3987132478925365,0.9050870399561374,0.9020971831951203,0.6322176341580427
EOS-2-21430,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1F,MFSWWYNPRGOCEL-UHFFFAOYSA-N,2,1,0.34,3,668,465.467,5.293,6,0.354,0.71,1.0,0.014084024398601878,0.24040504420533204,0.789844767322322,0.8236241518744432,0.4669894969501748
EOS-2-21431,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4F)n23)c(F)c1,MUZJWUCMZWRHJJ-UHFFFAOYSA-N,2,1,0.325,69,192,465.467,5.199,6,0.358,0.77,1.0,0.2838736207251045,0.3842951134260846,0.8599821807963813,0.8607789048043314,0.5972324549379754
EOS-2-21432,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cc(F)c(-c5ccccn5)c(F)c4)n23)cc1,IWTYQTQHKDXRFG-UHFFFAOYSA-N,2,1,0.329,69,192,465.467,5.199,6,0.358,0.69,1.0,0.2921064354739223,0.35084983894181343,0.8473716674662464,0.8453584401343294,0.5839215955040779
EOS-2-21433,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6F)nn5)n34)cc2)cc1,NAVSAEGSKOFMRE-UHFFFAOYSA-N,2,1,0.316,93,991,465.467,5.293,6,0.354,0.76,1.0,0.04569597697210609,0.3068158453841409,0.8820420121993009,0.8997241450209033,0.5335694948941128
EOS-2-21434,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)nc2)c1F,WQYIJOPJXUPTBT-UHFFFAOYSA-N,2,1,0.364,32,20,465.467,5.199,6,0.358,0.69,0.999,0.2782622849701871,0.40811973134123775,0.9006151052018367,0.8971112329518196,0.6210270886162703
EOS-2-21435,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c(-c2ccc(F)c(F)c2)n1,XJJNZCOMTVKKCI-UHFFFAOYSA-N,2,1,0.323,30,220,465.467,5.199,6,0.358,0.7,1.0,0.19399801247344253,0.3265197724624769,0.8394986635597286,0.8607874717291482,0.555200980056199
EOS-2-21436,Cn1ncnc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1F,BHKVIPLNJWQMHW-UHFFFAOYSA-N,2,1,0.375,93,107,465.467,5.199,6,0.358,0.74,1.0,0.2273490507847303,0.370176821328216,0.8491792886025632,0.8736635597285998,0.5800921801110273
EOS-2-21437,Cn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)c2)cn1,NZXABWCPOUQSTD-UHFFFAOYSA-N,2,1,0.346,69,38,465.467,5.199,6,0.335,0.66,1.0,0.24113323281474883,0.3701853882530327,0.929391405661024,0.9199934891371393,0.6151758789664863
EOS-2-21438,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cc(F)cc(F)c6)n5)n34)cc2)cc1,SDLJQXRZKXJRIC-UHFFFAOYSA-N,2,1,0.337,93,550,465.467,5.293,6,0.354,0.72,0.991,0.07996367623877733,0.28108080323487084,0.847380234391063,0.87487149612775,0.5208240524981154
EOS-2-21439,Fc1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)c(F)c1,TZTADLHBDGYODE-UHFFFAOYSA-N,2,1,0.329,76,653,465.47,4.972,6,0.363,0.63,0.979,0.21339353025837846,0.3360633267082448,0.4449061065040093,0.5658539510657254,0.3900542286340895
EOS-2-21440,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncoc6C)nc5)n34)cc2)o1,MKKWSCKTQLMEDL-UHFFFAOYSA-N,2,1,0.59,40,2,465.473,4.692,6,0.345,0.62,1.0,0.5623843465149749,0.3409636077033788,0.40476149681310397,0.2736018778699198,0.3954278322253444
EOS-2-21441,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4c(C)noc4C)cc3)n12,PAIRKMOFWDFUOJ-UHFFFAOYSA-N,2,1,0.329,9,98,465.473,4.789,6,0.354,0.71,1.0,0.2950191899115893,0.09588958947296279,0.4375556850113083,0.3039373586457405,0.2831004557604002
EOS-2-21442,CCn1c(Oc2cncc3nnc(-c4ccc(O)cc4)n23)ccc1-c1ccc(-c2nnco2)cc1,BZBCAFARIGZUPB-UHFFFAOYSA-N,2,1,0.355,77,323,465.473,4.828,6,0.372,0.58,1.0,0.5106144198478514,0.3360718936330615,0.5184617229799191,0.41819443492563907,0.44583561784661774
EOS-2-21443,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5c(-c6ccccc6)noc5C)n34)cc2)o1,YDIDEOYNMLEQIQ-UHFFFAOYSA-N,2,1,0.512,77,323,465.473,4.692,6,0.345,0.73,1.0,0.4806644506887808,0.365173737235282,0.22457336714412995,0.18914056610239188,0.31488803029264617
EOS-2-21444,COc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)o1,XJWBECGVGMCKEP-UHFFFAOYSA-N,2,1,0.42,28,547,465.473,4.22,6,0.345,0.73,1.0,0.10377972722911384,0.020243643341786032,0.4800818998012473,0.3515094921526969,0.23890369063121103
EOS-2-21445,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnoc6C)nc5)n34)cc2)o1,IANXJESHATYVLK-UHFFFAOYSA-N,2,1,0.605,40,78,465.473,4.692,6,0.345,0.66,1.0,0.45649715578096084,0.30171852511822356,0.46978445617161263,0.32564594613117676,0.38841152080049346
EOS-2-21446,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)c2)no1,YDANXIQLFHIXSK-UHFFFAOYSA-N,2,1,0.524,67,755,465.477,3.524,6,0.363,0.73,1.0,0.45650572270577755,0.2656689054896854,0.21413885271742855,0.16706360084983893,0.2758442704406826
EOS-2-21447,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-c4nnco4)n23)cc1,FPEXEVGMJPJZKS-UHFFFAOYSA-N,2,1,0.473,67,755,465.477,3.699,6,0.347,0.58,1.0,0.5236875471180865,0.3311973134123775,0.21752278802001235,0.18914913302720857,0.31538919539442123
EOS-2-21448,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6nncc6C)cn5)n34)cc2)o1,BLTVJBCRZVHBCC-UHFFFAOYSA-N,2,1,0.5,40,932,465.477,3.618,6,0.363,0.66,1.0,0.22159207730792954,0.24041361113014872,0.24626482077993284,0.1670721677746556,0.21883566924816666
EOS-2-21449,Cc1cc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,SRZAELTUVCZZCG-UHFFFAOYSA-N,2,1,0.477,67,755,465.477,3.524,6,0.363,0.65,1.0,0.5762370639435268,0.3120588033719416,0.3342728394215612,0.25286135288876704,0.3688575149064492
EOS-2-21450,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncoc6C)nc5)n34)cn2)n[nH]1,TVYNGGDEYQOBIB-UHFFFAOYSA-N,2,1,0.467,6,297,465.477,3.822,6,0.39,0.55,0.929,0.4147590980741553,0.31712185593859227,0.23547906243574807,0.15378486738400385,0.2802862209581249
EOS-2-21451,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cnn(C)c6)c5)n34)cc2)o1,APAOTYMGGYWNSM-UHFFFAOYSA-N,2,1,0.517,71,2,465.477,3.524,6,0.363,0.62,1.0,0.43304948255774106,0.2918836954286889,0.3640000685353985,0.24972585840586664,0.33466477623192376
EOS-2-21452,CCc1nc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)ccc1-c1cncnc1OC,QPFNLQJYUAVFSA-UHFFFAOYSA-N,2,1,0.454,49,690,465.477,3.06,5,0.352,0.63,0.623,0.412471729148105,0.24042217805496538,0.26787060516756905,0.15136899458570352,0.2680333767390857
EOS-2-21453,Cc1nc(-c2ccc(COc3cncc4nnc(-c5cn(C)nc5-c5ccccc5)n34)nc2)no1,FVRUSTPUAVCSHF-UHFFFAOYSA-N,2,1,0.495,40,857,465.477,3.524,6,0.363,0.67,1.0,0.24114179973956548,0.15411897745185388,0.11909738880131587,0.1012610513330135,0.15390480433143716
EOS-2-21454,Cn1nc(-c2ccccc2)nc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,LMANLVINYZUOLB-UHFFFAOYSA-N,2,1,0.543,77,755,465.477,3.258,6,0.349,0.67,1.0,0.5262576245630869,0.34616373106709614,0.06187033102597492,0.07297306558837639,0.2518161880611336
EOS-2-21455,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cnc(C)n6C)cn5)n34)cc2)o1,RHEOCFYAAOJVAS-UHFFFAOYSA-N,2,1,0.374,67,622,465.477,4.046,6,0.371,0.64,1.0,0.3426427249674457,0.25030840929340004,0.217531354944829,0.1259851963539168,0.2341169213898979
EOS-2-21456,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncn6C)n5)n34)cc2)o1,BCHMPJKAUYMYOF-UHFFFAOYSA-N,2,1,0.468,81,609,465.477,3.524,6,0.363,0.66,1.0,0.37493146460146665,0.20474950311836063,0.20737954903707764,0.13909259132341856,0.23153827702008087
EOS-2-21457,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5)n34)nc2)no1,YMUNRIPNEUNJHL-UHFFFAOYSA-N,2,1,0.511,56,25,465.477,3.524,6,0.363,0.68,1.0,0.3331420053457611,0.3068244123089576,0.2641011582482352,0.18621067781509149,0.27256956342951133
EOS-2-21458,COc1ncc(-c2cn(C)nn2)cc1-c1cncc2nnc(-c3ccc(-c4cnc(C)o4)cc3)n12,QKFBCFWJDGONRP-UHFFFAOYSA-N,2,1,0.301,42,303,465.477,3.621,6,0.376,0.72,1.0,0.13607703378795147,0.09251422109519566,0.2678791720923857,0.16708073469947227,0.1658877904187513
EOS-2-21459,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cocn6)n5)n34)cn2)c1,ZZSYPSIUNGEPEY-UHFFFAOYSA-N,2,1,0.463,6,297,465.477,3.699,6,0.347,0.67,1.0,0.32060002741415944,0.2603231444040847,0.2109862243848948,0.1414142279487355,0.2333309060379686
EOS-2-21460,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cn4)n23)c1,YZPPFMYIKWEMNZ-UHFFFAOYSA-N,2,1,0.406,6,414,465.477,3.699,6,0.347,0.62,1.0,0.1940065793982592,0.11190117195531492,0.2714258789664862,0.1970906723322596,0.19360607566307997
EOS-2-21461,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nc(C)no4)cc3)n12,ILQGOSWLMYCOBC-UHFFFAOYSA-N,2,1,0.341,9,642,465.477,3.621,6,0.376,0.74,1.0,0.2782708518950038,0.08642313755054486,0.23199232403536427,0.15660338564868756,0.18832242478240013
EOS-2-21462,Cc1c(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cn2)nnn1C,SEHSSNRCLSWCDS-UHFFFAOYSA-N,2,1,0.467,56,415,465.477,3.524,6,0.363,0.68,1.0,0.302712288396957,0.21459289973271195,0.11910595572613254,0.11474539099444864,0.18778913371256256
EOS-2-21463,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cn(C)nn6)c5)n34)cc2)o1,UCPWCVSLSBKUGP-UHFFFAOYSA-N,2,1,0.494,77,755,465.477,3.524,6,0.363,0.72,1.0,0.34741450209032965,0.27614625454047015,0.26410972517305187,0.20007196216846002,0.27193561099307795
EOS-2-21464,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncc6C)nn5)n34)cc2)o1,GSWZPKIRFWZVOR-UHFFFAOYSA-N,2,1,0.457,40,932,465.477,3.618,6,0.363,0.61,0.999,0.3157083133438421,0.29189226235350557,0.24269241313138235,0.15921629771777124,0.2523773216366253
EOS-2-21465,CCOc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)cn2)n1,GOIYIKDWJRRGFZ-UHFFFAOYSA-N,2,1,0.314,42,303,465.477,3.796,6,0.361,0.7,1.0,0.1305942019052841,0.19545438969227605,0.20030326913851004,0.12810122678363375,0.163613271879926
EOS-2-21466,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n(C)n2)no1,ZPHSUBRQJCYGNI-UHFFFAOYSA-N,2,1,0.394,28,363,465.477,3.524,6,0.363,0.71,1.0,0.2753580974573367,0.25541429648413405,0.09503289699129601,0.09123774929751216,0.17926076005756975
EOS-2-21467,N#Cc1cc(-c2nc[nH]n2)cc(F)c1-c1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,ROLKLWDJLVYWLW-UHFFFAOYSA-N,2,1,0.326,9,7,465.477,4.378,6,0.41,0.62,1.0,0.2810122678363375,0.4081282982660544,0.6817815776848742,0.682227057775341,0.5132873003906518
EOS-2-21468,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)c1,KMFKCGZBHYHZQT-UHFFFAOYSA-N,2,1,0.417,81,218,465.477,3.699,6,0.347,0.68,0.999,0.23565896785689808,0.1388612843533685,0.2212579672400795,0.16986498526488933,0.19141080117880885
EOS-2-21469,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnnn6C)nc5)n34)cc2)o1,HBZZRXNEVWBHDL-UHFFFAOYSA-N,2,1,0.57,40,2,465.477,3.524,6,0.363,0.61,1.0,0.3679665547255157,0.20969261873757797,0.29364848194092247,0.2031303543280104,0.26860950243300663
EOS-2-21470,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccn(C)n6)n5)n34)cc2)o1,NSQYZOINAAESPN-UHFFFAOYSA-N,2,1,0.446,40,350,465.477,3.524,6,0.363,0.63,1.0,0.3953121787403194,0.26567747241450207,0.24270098005619903,0.1619405798094716,0.266407802755123
EOS-2-21471,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nncn6C)c5)n34)cn2)o1,XLHYIBJHYHFEAL-UHFFFAOYSA-N,2,1,0.462,6,250,465.477,3.524,6,0.363,0.71,1.0,0.40156603385648687,0.22492461106161332,0.2462733877047495,0.18095058597765745,0.26342865465012677
EOS-2-21472,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnc(C)o6)cc5)n34)nc2)cn1,OZBOTMHQRUBDSP-UHFFFAOYSA-N,2,1,0.484,81,932,465.477,3.618,6,0.363,0.58,1.0,0.2568107052292509,0.2047580700431773,0.2641182920978685,0.16194914673428826,0.22190905352614626
EOS-2-21473,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)nn5C)n34)cc2)o1,CPXOOGKWOPWRIZ-UHFFFAOYSA-N,2,1,0.477,40,25,465.477,3.524,6,0.363,0.71,1.0,0.4058237954903708,0.3938215338222192,0.11044479473648139,0.08740833390446165,0.24937461448838327
EOS-2-21474,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cccnc6)nn5C)n34)cc2)o1,ATNHIKLKWFVFCG-UHFFFAOYSA-N,2,1,0.462,81,117,465.477,3.524,6,0.363,0.68,1.0,0.3633404153245151,0.2969467479953396,0.19332979233774245,0.13668528544993488,0.24757556027688302
EOS-2-21475,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnn(C)c6)cn5)n34)cc2)o1,IZASWEFISHXXAU-UHFFFAOYSA-N,2,1,0.506,40,117,465.477,3.524,6,0.363,0.71,1.0,0.31571688026865874,0.2503169762182167,0.3008789664861901,0.1970992392570763,0.26600301555753547
EOS-2-21476,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnnn6C)c5)n34)cc2)o1,PFJAKTZCTDYNEZ-UHFFFAOYSA-N,2,1,0.541,77,755,465.477,3.524,6,0.363,0.74,1.0,0.4239685422520732,0.2919008292783222,0.25696490987595094,0.2121341923103283,0.2962421184291687
EOS-2-21477,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnco6)cn5)n34)cc2)n(C)n1,KOGPZWBRYULEOB-UHFFFAOYSA-N,2,1,0.554,40,25,465.477,3.524,6,0.363,0.62,1.0,0.3564611746967309,0.20476663696799396,0.2003118360633267,0.1414227948735522,0.22574061065040096
EOS-2-21478,CCn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncccc6OC)cc5)n34)o2)nn1,ZEVXKKUAJRDMLK-UHFFFAOYSA-N,2,1,0.337,38,725,465.477,3.795,6,0.361,0.47,1.0,0.13608560071276815,0.11782948392844904,0.13635117538208485,0.10753204029881434,0.1244495750805291
EOS-2-21479,Cc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)no4)n23)cc1,RJYDFLAQLIDEKC-UHFFFAOYSA-N,2,1,0.511,40,415,465.477,3.524,6,0.363,0.67,1.0,0.4103642656432047,0.2761548214652868,0.1933383592625591,0.16439072030703858,0.2610620416695223
EOS-2-21480,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cn[nH]c6C)cc5)n34)n2)no1,GAUOFVFTLQQJJX-UHFFFAOYSA-N,2,1,0.455,40,609,465.477,3.822,6,0.39,0.58,1.0,0.40583236241518744,0.34617229799191285,0.20032040298814338,0.14867898019326983,0.27525101089712833
EOS-2-21481,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6nncn6C)c5)n34)cc2)o1,YDBYZOMSJKPPGR-UHFFFAOYSA-N,2,1,0.506,40,415,465.477,3.524,6,0.363,0.68,1.0,0.42397710917688985,0.24043074497978206,0.24988006305256666,0.17800356384072374,0.2730728702624906
EOS-2-21482,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)cc2O)cn1,CVSIATJUIOOVGX-UHFFFAOYSA-N,2,1,0.656,81,104,465.477,3.057,6,0.398,0.67,1.0,0.14980124734425332,0.22493317798642998,0.32295593173874304,0.2708261942293194,0.24212913782468645
EOS-2-21483,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(-c4nnnn4C)cc3)n12,NCIRZBMOTNNYRY-UHFFFAOYSA-N,2,1,0.518,77,755,465.477,3.524,6,0.363,0.71,1.0,0.40804262901788774,0.3220821054074429,0.11322904530189844,0.11926872729764923,0.2406556267562196
EOS-2-21484,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nc[nH]n6)n5)n34)cn2)cn1,ORDMNDMFELPIQW-UHFFFAOYSA-N,2,1,0.396,6,584,465.481,2.829,6,0.377,0.66,1.0,0.259749160441368,0.22494174491124666,0.10527037214721403,0.07105407442944281,0.16525383798231785
EOS-2-21485,CCn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)[nH]n1,SQUDAJLFLHNAEH-UHFFFAOYSA-N,2,1,0.392,6,826,465.481,2.829,6,0.377,0.6,0.999,0.21604927695154547,0.14254506202453568,0.04854876293605647,0.04707525186758961,0.11355458844493181
EOS-2-21486,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnnn5C)n4)n23)cc1,UVJMZXCRDVTMQZ-UHFFFAOYSA-N,2,1,0.417,56,350,465.481,2.356,6,0.364,0.63,1.0,0.30776677403879105,0.16176067438832156,0.10784901651703105,0.08210540744294428,0.16487046809677197
EOS-2-21487,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)cc1,SMBBQVZJRIVRFQ-UHFFFAOYSA-N,2,1,0.554,67,789,465.481,2.356,6,0.364,0.71,1.0,0.4401257624563087,0.2810893701596875,0.11631313823589884,0.10985367692413131,0.23684548694400656
EOS-2-21488,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4cc(-c5cnn(C)c5)ncn4)n23)cn1,VNLZSEBVJXWQTI-UHFFFAOYSA-N,2,1,0.4,7,113,465.481,2.45,6,0.364,0.65,0.998,0.16330272085532177,0.061022205469124804,0.1577342197244877,0.08741690082927832,0.11736901171955315
EOS-2-21489,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cn3)n12,RIQPLHDTNIBUMD-UHFFFAOYSA-N,2,1,0.322,99,866,465.481,2.453,6,0.377,0.76,1.0,0.0938078267425125,0.029615859091220616,0.10001884723459667,0.07298163251319306,0.07410604139538071
EOS-2-21490,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3cccc(-c4nncn4C)n3)n12,PRGFNQVFNPXWHP-UHFFFAOYSA-N,2,1,0.349,98,259,465.481,2.453,6,0.377,0.61,1.0,0.1360941676375848,0.02479268041943664,0.07865293674182715,0.0564988691659242,0.0740096634911932
EOS-2-21491,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n(C)n2)n1C,RPTZAFRQPBATAN-UHFFFAOYSA-N,2,1,0.371,71,789,465.481,2.878,6,0.378,0.63,1.0,0.28102083476115414,0.20970118566239462,0.04697244876978959,0.037000548283188266,0.14367375436913163
EOS-2-21492,Cn1cc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cnn(C)n6)cc5)n34)n2)cn1,LVZOOIZWBXCNKT-UHFFFAOYSA-N,2,1,0.458,56,415,465.481,2.356,6,0.364,0.63,1.0,0.35646974162154754,0.2503255431430334,0.12733020355013364,0.08037488862997738,0.20362509423617298
EOS-2-21493,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nnn(-c6ccccc6)n5)n34)nc2)n1,KEKZFINBKVKFDU-UHFFFAOYSA-N,2,1,0.404,6,288,465.481,2.184,6,0.348,0.55,0.756,0.21605784387636215,0.12493146460146666,0.02791960797752039,0.029778630662737303,0.09967188677952163
EOS-2-21494,Cc1nc(-c2c[nH]nn2)cnc1COc1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,RJWVFVVYVGKDJA-UHFFFAOYSA-N,2,1,0.427,56,8,465.481,2.654,6,0.393,0.49,1.0,0.37961757247618394,0.22999623055308066,0.0927712288396957,0.07106264135425948,0.19336191830580493
EOS-2-21495,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6c[nH]nn6)nc5)n34)cn2)c1,URMIZEHKDFMGRQ-UHFFFAOYSA-N,2,1,0.467,65,981,465.481,2.388,6,0.377,0.57,1.0,0.5289305051058872,0.35085840586663014,0.16411657871290522,0.1239377013227332,0.291960797752039
EOS-2-21496,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncn6C)n5)n34)nn2)cn1,WEDBPQRIFPUJFZ-UHFFFAOYSA-N,2,1,0.381,53,826,465.481,2.356,6,0.364,0.6,0.998,0.19687649921184291,0.1053303406209307,0.12467445685696663,0.08554931121924474,0.12810765197724625
EOS-2-21497,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccn(C)n6)cc5)n34)nn2)nn1,RZBABLPTGYFYES-UHFFFAOYSA-N,2,1,0.452,71,415,465.481,2.356,6,0.364,0.64,1.0,0.29211500239873894,0.22495031183606332,0.12204441093824961,0.09124631622232883,0.18258901034884517
EOS-2-21498,Cn1cc(-c2nnc3cncc(OCc4ccc(-c5nnn(C)n5)nc4)n23)c(-c2ccccc2)n1,XRQXKWDSUKVENI-UHFFFAOYSA-N,2,1,0.484,71,415,465.481,2.356,6,0.364,0.64,1.0,0.2543348639572339,0.09252278802001233,0.056113357549174146,0.05360324857789048,0.11414356452607771
EOS-2-21499,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)cn1,ROLHZCAJODKJDO-UHFFFAOYSA-N,2,1,0.426,56,614,465.481,2.356,6,0.364,0.71,1.0,0.27044068261256937,0.18238982934685766,0.14241655815228565,0.1034456171612638,0.17467317181824413
EOS-2-21500,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncn(C)n6)cc5)n34)n2)cn1,CVZQPFBUACBGMJ-UHFFFAOYSA-N,2,1,0.441,56,350,465.481,2.356,6,0.364,0.71,1.0,0.2865636351175382,0.2347765746007813,0.1395038037146186,0.08929305736412857,0.18753426769926668
EOS-2-21501,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cnn(C)c6)nn5)n34)cc2)n[nH]1,VUGVIAIPXOAPKL-UHFFFAOYSA-N,2,1,0.396,71,197,465.481,2.654,6,0.393,0.61,1.0,0.3749400315262833,0.2761633883901035,0.13951237063943528,0.10538174216983072,0.2239993831814132
EOS-2-21502,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-n5ccnc5)n4)n23)cc1,BJMWUPGNALVTNQ-UHFFFAOYSA-N,2,1,0.408,56,614,465.481,2.624,6,0.349,0.61,1.0,0.25975772736618463,0.17402851072578987,0.1052789390720307,0.08211397436776095,0.15529478788294152
EOS-2-21503,Cc1cc(-c2nnn(C)n2)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cn3)n12,OVROVELYOMLUDI-UHFFFAOYSA-N,2,1,0.458,71,547,465.481,2.45,6,0.364,0.65,1.0,0.16060413953807143,0.16947947364813926,0.11632170516071551,0.08212254129257762,0.13213196490987594
EOS-2-21504,COc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n(C)n2)cn1,PIINADMFSWVFKX-UHFFFAOYSA-N,2,1,0.333,98,882,465.481,2.453,6,0.377,0.54,1.0,0.15518984305393735,0.092531354944829,0.10002741415941334,0.06403776300459187,0.10294659379069289
EOS-2-21505,COc1cc(-c2nn[nH]n2)ncc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)cc3)n12,VSWGVHWHQOELJW-UHFFFAOYSA-N,2,1,0.315,98,725,465.481,2.751,6,0.407,0.59,1.0,0.1913936673291755,0.11190973888013159,0.17374580220683983,0.11242375436913166,0.14736824069631965
EOS-2-21506,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)nn1,GNMALQWGDCIKOH-UHFFFAOYSA-N,2,1,0.517,67,415,465.481,2.356,6,0.364,0.59,1.0,0.33315057227057776,0.15004112123912,0.1363597423069015,0.10345418408608047,0.1807514049756699
EOS-2-21507,CCn1c(-c2ncc(Oc3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)nn2)cnc1C,SWHXPFLBWQKIRH-UHFFFAOYSA-N,2,1,0.351,56,622,465.481,3.351,6,0.392,0.55,0.942,0.39532074566513603,0.25033411006785006,0.05792954561030773,0.04708381879240628,0.18766705503392503
EOS-2-21508,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)nn1,ZRXFRORGQZHKTC-UHFFFAOYSA-N,2,1,0.392,80,816,465.481,2.45,6,0.364,0.59,1.0,0.2568192721540676,0.17826913851004045,0.07639126859022685,0.044325269001439245,0.13895123706394355
EOS-2-21509,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)cc4)n23)nc1,AUPAAUXEVVFBGV-UHFFFAOYSA-N,2,1,0.435,56,895,465.481,2.356,6,0.364,0.77,1.0,0.36578198889726543,0.18677609485299157,0.102511822356247,0.0855578781440614,0.18515694606264138
EOS-2-21510,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnn(C)c6)cn5)n34)cc2)n[nH]1,QQNAKXPONBYDET-UHFFFAOYSA-N,2,1,0.427,56,425,465.481,2.654,6,0.393,0.64,1.0,0.3356521143170448,0.24043931190459872,0.14837057089986977,0.08930162428894524,0.2034409053526146
EOS-2-21511,Cc1nn(C)cc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,HOFWPCVHTHTYPQ-UHFFFAOYSA-N,2,1,0.427,56,425,465.481,2.654,6,0.393,0.69,1.0,0.345135700089096,0.20012336371736,0.1363683092317182,0.08742546775409499,0.1922632101980673
EOS-2-21512,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)nn5C)n34)cn2)cn1,GTLNQNORTVTCCM-UHFFFAOYSA-N,2,1,0.413,80,549,465.481,2.356,6,0.364,0.67,1.0,0.2838821876499212,0.2554228634089507,0.056121924473990815,0.04311733260228908,0.15963607703378796
EOS-2-21513,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccnnc6)nn5C)n34)cc2)cn1,QLPZNLOSLBDYMQ-UHFFFAOYSA-N,2,1,0.427,71,197,465.481,2.356,6,0.364,0.61,1.0,0.3588599136453978,0.32209067233225963,0.08818792406277842,0.07299019943800973,0.2105321773696114
EOS-2-21514,Cc1nc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3ccc(-c4cnn(C)c4)cn3)n12,QTCOHINSETUNOP-UHFFFAOYSA-N,2,1,0.43,56,549,465.481,2.654,6,0.393,0.68,1.0,0.2597662942910013,0.2196388184497293,0.15157460078130355,0.09313103968199575,0.1810276883010075
EOS-2-21515,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnn6)nn5C)n34)cc2)c1,GSPFAWNBLPLXLJ-UHFFFAOYSA-N,2,1,0.406,71,415,465.481,2.356,6,0.364,0.69,0.999,0.3749485984511,0.3017270920430402,0.04360564731683915,0.04069289287917209,0.19024355767253787
EOS-2-21516,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)n4)n23)nc1,RTOKDZKXDPSXKB-UHFFFAOYSA-N,2,1,0.396,6,502,465.481,2.356,6,0.364,0.67,0.99,0.28935645260777193,0.15778562127338772,0.061878897950791587,0.04312589952710575,0.13803671783976426
EOS-2-21517,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)cn2)cn1,OUVYGXSNDLHBNC-UHFFFAOYSA-N,2,1,0.4,80,816,465.481,2.356,6,0.364,0.64,1.0,0.3104910561304914,0.1908625179905421,0.1246830237817833,0.07503769446919334,0.17526857309300253
EOS-2-21518,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)nn1,JNFJVNFGMJUIFX-UHFFFAOYSA-N,2,1,0.443,80,816,465.481,2.356,6,0.364,0.62,1.0,0.25682783907888423,0.1782777054348571,0.11633027208553218,0.07688815022959358,0.1570809917072168
EOS-2-21519,Cc1cccc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nnnn6C)nn5C)n34)cc2)n1,VMPMHAZJVXSTRU-UHFFFAOYSA-N,2,1,0.372,67,622,465.481,2.878,6,0.378,0.64,0.999,0.2893650195325886,0.2554314303337674,0.06188746487560825,0.05238674525392365,0.16476766499897197
EOS-2-21520,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)nn4C)n23)cn1,MIIHXYYJJCBRQA-UHFFFAOYSA-N,2,1,0.392,6,502,465.481,2.356,6,0.364,0.64,0.997,0.27827941881982043,0.23478514152559798,0.07639983551504352,0.05239531217874032,0.16046492700980056
EOS-2-21521,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)nn2C)n1,GSKZNOVMDWGDGU-UHFFFAOYSA-N,2,1,0.427,6,843,465.481,2.45,6,0.364,0.59,1.0,0.14980981426906997,0.02480124734425331,0.08341614693989445,0.055119594270440685,0.0782867007059146
EOS-2-21522,Cn1nccc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,YPCAGWDAODNVIA-UHFFFAOYSA-N,2,1,0.422,56,428,465.481,2.356,6,0.364,0.59,1.0,0.3908316770612021,0.2001319306421767,0.08342471386471112,0.05361181550270715,0.18200003426769926
EOS-2-21523,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)nc2)cn1,XERUSFBFHNBZPB-UHFFFAOYSA-N,2,1,0.535,56,415,465.481,2.356,6,0.364,0.65,1.0,0.31572544719347545,0.19546295661709273,0.16719210472208895,0.1147539579192653,0.1982836166129806
EOS-2-21524,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccn6)nn5C)n34)cc2)n[nH]1,NYIGADFHPHGLPH-UHFFFAOYSA-N,2,1,0.432,56,425,465.481,2.654,6,0.393,0.67,1.0,0.3796261394010006,0.32652833938729353,0.027928174902337056,0.020988965800836132,0.1887679048728668
EOS-2-21525,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5nc[nH]n5)n4)n23)ccn1,UBKKNSVTTAJPTP-UHFFFAOYSA-N,2,1,0.422,24,597,465.481,2.829,6,0.377,0.63,0.998,0.22160064423274622,0.17828627235967376,0.11045336166129806,0.07689671715441025,0.1468092488520321
EOS-2-21526,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnn(C)n6)cc5)n34)nc2)cn1,XTPGRSZCYVXFIJ-UHFFFAOYSA-N,2,1,0.427,56,197,465.481,2.356,6,0.364,0.65,1.0,0.4425073675553423,0.2656860393393188,0.17034473305462272,0.10539030909464739,0.24598211226098282
EOS-2-21527,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nn2)n1,OCYRGJNIRRKCDQ-UHFFFAOYSA-N,2,1,0.467,67,789,465.481,2.356,6,0.364,0.63,1.0,0.3182869577136591,0.20477520389281065,0.10252038928106368,0.07690528407922692,0.1756219587416901
EOS-2-21528,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)nn4C)n23)cc1,ZEJWQNMDEKNACI-UHFFFAOYSA-N,2,1,0.46,56,415,465.481,2.356,6,0.364,0.65,1.0,0.3679751216503324,0.28652080049345485,0.04063292440545542,0.035989651154821466,0.18277962442601603
EOS-2-21529,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnn(C)n6)cc5)n34)n2)cn1,GVJBWDMHEZHCGI-UHFFFAOYSA-N,2,1,0.417,71,350,465.481,2.356,6,0.364,0.66,1.0,0.3206085943389761,0.22495887876088,0.16720067164690564,0.10986224384894798,0.20565759714892742
EOS-2-21530,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cnccn6)nn5C)n34)cc2)n1,WTTBIIURQVUSQB-UHFFFAOYSA-N,2,1,0.433,56,614,465.481,2.356,6,0.364,0.59,1.0,0.36798368857514907,0.3017356589678569,0.04525049688163937,0.037009115208004935,0.1879947399081626
EOS-2-21531,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(=O)n(C)n5)nn4C)n23)cc1,NHDAXLNUFRFZEV-UHFFFAOYSA-N,2,1,0.286,98,890,465.481,1.748,6,0.385,0.57,1.0,0.079972243163594,0.07252758549790966,0.05980570214515797,0.053620382427523816,0.06648147830854637
EOS-2-21532,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnnn6C)cc5)n34)nc2)cn1,XLKAEAVZFQFWTB-UHFFFAOYSA-N,2,1,0.443,56,197,465.481,2.356,6,0.364,0.63,1.0,0.3331591391953944,0.21964738537454595,0.18009389349599067,0.12161606469741622,0.21362912069083684
EOS-2-21533,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)nn1C,JVWLWWRKZUJSDZ-UHFFFAOYSA-N,2,1,0.394,71,415,465.481,2.654,6,0.393,0.55,1.0,0.4015746007813035,0.29190939620313894,0.08578918511411143,0.06742169830717566,0.2116737201014324
EOS-2-21534,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)nn1,QSUBXCAHBCZWTL-UHFFFAOYSA-N,2,1,0.422,56,197,465.481,2.356,6,0.364,0.68,1.0,0.340415324515112,0.2404478788294154,0.11046192858611473,0.07691385100404359,0.19205974573367143
EOS-2-21535,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)cn1,HLLFSERADACISR-UHFFFAOYSA-N,2,1,0.43,56,350,465.481,2.356,6,0.364,0.72,1.0,0.2753666643821534,0.17829483928449044,0.13952093756425193,0.09509286546501268,0.1720688266739771
EOS-2-21536,CCn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnn(C)c5)nn4)n23)cc1,VZYPLOLVMUBIQP-UHFFFAOYSA-N,2,1,0.372,67,789,465.481,3.053,6,0.365,0.65,1.0,0.2782879857446371,0.1954715235419094,0.12469159070659996,0.08931019121376191,0.1719403228017271
EOS-2-21537,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cn5)n34)cn2)nn1C,RNVIUFFSNAXKNF-UHFFFAOYSA-N,2,1,0.43,80,843,465.481,2.45,6,0.364,0.57,0.981,0.20517784935919403,0.1823983962716743,0.07430093893495991,0.0457473785210061,0.1269061407717086
EOS-2-21538,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)c2)n1,KKVRJAMOTRFRFW-UHFFFAOYSA-N,2,1,0.536,67,789,465.481,2.356,6,0.364,0.64,1.0,0.4734253992186965,0.2554399972585841,0.11633883901034885,0.09917072167774656,0.23609373929134397
EOS-2-21539,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)cn1,NUTNCTPEGXCVQC-UHFFFAOYSA-N,2,1,0.446,56,614,465.481,2.356,6,0.364,0.67,1.0,0.30541943663902404,0.182406963196491,0.1515831677061202,0.10126961825783017,0.18516979644986636
EOS-2-21540,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6nccn6)nn5)n34)cc2)n1,SBEXJYZQJQIAQH-UHFFFAOYSA-N,2,1,0.463,71,415,465.481,2.184,6,0.348,0.54,1.0,0.442515934480159,0.33120588033719417,0.07220204235487629,0.061090740867658144,0.2267536495099719
EOS-2-21541,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc6ccccc6c5)n34)ccc2F)n1,NXZFEJAFJAGQKV-UHFFFAOYSA-N,2,1,0.598,91,824,465.492,4.501,6,0.36,0.75,1.0,0.915333082036872,0.8774758412720169,0.7055804948255774,0.7183452128024125,0.8041836577342196
EOS-2-21542,NC(=O)c1ccc(COc2cncc3nnc(-c4ccc(-c5cccs5)s4)n23)cn1,IITQEAJGKMUCTB-UHFFFAOYSA-N,2,1,0.477,24,348,434.506,3.654,5,0.437,0.66,0.999,0.3610701802480981,0.10201494071688026,0.1609810842300048,0.12394626824754985,0.18700311836063327
EOS-2-21543,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5F)n34)nc2)nn1C,VGRQOVYOXYAQEN-UHFFFAOYSA-N,2,1,0.306,98,42,465.496,4.102,6,0.389,0.67,1.0,0.1914022342539922,0.2919179631279556,0.4483842779795765,0.3834898224933178,0.3287985744637105
EOS-2-21544,CCn1cc(-c2ccc(-c3cncc4nnc(-c5cn(C)nc5-c5ccc(F)cc5)n34)nc2)cn1,BSCPXVXJJLQAHQ-UHFFFAOYSA-N,2,1,0.333,98,714,465.496,4.276,6,0.378,0.73,1.0,0.14403570694263587,0.26033171132890137,0.430008224247824,0.4342402851072579,0.3171539819066548
EOS-2-21545,Cc1c(-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4)n23)c(-c2ccc(F)cc2)nn1C,SKXZKMYZRSJIBH-UHFFFAOYSA-N,2,1,0.358,9,642,465.496,4.102,6,0.389,0.66,1.0,0.13060276883010075,0.29695531492015625,0.2936570488657392,0.35151805907751354,0.2681832979233774
EOS-2-21546,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)c(F)c2)n(C)n1,PKZYGGPQGHXCBW-UHFFFAOYSA-N,2,1,0.351,9,42,465.496,4.102,6,0.389,0.67,1.0,0.2729679254334864,0.2503426769926667,0.37549688163936673,0.35773764649441436,0.31413628263998356
EOS-2-21547,Cc1c(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)c(-c2ccc(F)cc2)nn1C,FXZYLSCPULPJRZ-UHFFFAOYSA-N,2,1,0.341,98,572,465.496,4.102,6,0.389,0.66,1.0,0.10117538208484682,0.25544856418340073,0.32296449866355975,0.344930093893496,0.2561296347063258
EOS-2-21548,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccs4)n23)cc1F,OMYWSEBAYPHPGQ-UHFFFAOYSA-N,2,1,0.584,26,563,434.5,4.497,5,0.377,0.73,1.0,0.8525460900555136,0.7024278664930437,0.5250239873894866,0.48082722226029745,0.6402062915495853
EOS-2-21549,FCCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccsc4)n23)c1,RVFYYQFTPPZYCZ-UHFFFAOYSA-N,2,1,0.5,26,438,434.5,4.307,5,0.364,0.7,1.0,0.4445719964361593,0.36518230416009867,0.4338719073401412,0.4119491467342883,0.4138938386676718
EOS-2-21550,Cc1cscc1CCOc1cncc2nnc(-c3ccc(-c4cnn(C)c4)c(F)c3)n12,NTHKDDCSYHMRMX-UHFFFAOYSA-N,2,1,0.6,35,545,434.5,4.322,5,0.398,0.63,1.0,0.5762456308683435,0.6151137687615653,0.6397950791583853,0.5562161606469742,0.596842659858817
EOS-2-21551,c1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc(-c2cncs2)c1,XUJCGHZCEPAKLZ-UHFFFAOYSA-N,2,1,0.467,80,277,465.502,3.741,6,0.362,0.63,1.0,0.3842437118771846,0.45733671441299434,0.24628195462956617,0.21214275923514495,0.32500128503872255
EOS-2-21552,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4nnc(-c5cccnn5)s4)n23)cc1,NGSGMWMBQXHBQI-UHFFFAOYSA-N,2,1,0.435,81,218,465.502,3.741,6,0.362,0.65,0.92,0.2704492495373861,0.28652936741827156,0.06779864299910904,0.107540607223631,0.18307946679459944
EOS-2-21553,c1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)nc2)cn1,DDXYUZKKTQKAAN-UHFFFAOYSA-N,2,1,0.463,41,621,465.502,3.741,6,0.362,0.67,1.0,0.5311836063326708,0.4927095469810157,0.345007196216846,0.3039459255705572,0.41821156877527244
EOS-2-21554,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cncs6)ncn5)n34)nc2)nc1,MBTFUJRYLJXPJN-UHFFFAOYSA-N,2,1,0.456,6,414,465.502,3.741,6,0.362,0.65,0.999,0.3307604002467274,0.3508669727914468,0.23548762936056472,0.21215132615996163,0.28231658213967514
EOS-2-21555,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccsc6)nn5)n34)cc2)cn1,VOXQFRYRZCVMLY-UHFFFAOYSA-N,2,1,0.427,56,621,465.502,3.741,6,0.362,0.63,1.0,0.4979782057432664,0.46192858611472826,0.27143444589130283,0.28274278664930436,0.3785210060996505
EOS-2-21556,c1cnnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)c1,VMDWUFYAHSYECI-UHFFFAOYSA-N,2,1,0.489,81,120,465.502,3.741,6,0.362,0.66,1.0,0.40158316770612024,0.45290761428277704,0.18010246042080735,0.16439928723185526,0.29974813241039
EOS-2-21557,c1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)s2)c1,AZSPYRZKEFUVOZ-UHFFFAOYSA-N,2,1,0.484,40,355,465.502,3.741,6,0.362,0.63,1.0,0.4103728325680214,0.45291618120759375,0.21753992186964566,0.2151411829209787,0.32399252964155983
EOS-2-21558,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cscn6)n5)n34)cc2)cn1,SICBQTWNDFQGHI-UHFFFAOYSA-N,2,1,0.467,80,147,465.502,3.741,6,0.362,0.53,1.0,0.45198238640257693,0.43569666232609144,0.27561510520183674,0.2528699198135837,0.3540410184360222
EOS-2-21559,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nn2)cn1,JDGQTZHZUYIMIX-UHFFFAOYSA-N,2,1,0.478,40,120,465.502,3.741,6,0.362,0.69,1.0,0.4058409293400041,0.4357052292509081,0.2865465012679049,0.24682167089301624,0.3437285826879583
EOS-2-21560,c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cn5)n34)cc2)cn1,LZNIRFNYMCCQEQ-UHFFFAOYSA-N,2,1,0.511,40,868,465.502,3.741,6,0.362,0.63,1.0,0.2810294016859708,0.3312144472620108,0.4081882667397711,0.3707079706668494,0.34778502158865054
EOS-2-21561,c1ccc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6cnccn6)n5)n34)nc2)nc1,YTSBAOAKOJRQPQ-UHFFFAOYSA-N,2,1,0.456,6,297,465.502,3.741,6,0.362,0.74,1.0,0.3104996230553081,0.34097217462819546,0.14532074566513603,0.14143136179836885,0.23455597628675212
EOS-2-21562,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nccs6)n5)n34)cc2)cn1,CUSIWLLJAHGLEO-UHFFFAOYSA-N,2,1,0.467,80,147,465.502,3.741,6,0.362,0.58,1.0,0.4519909533273936,0.47483037488863,0.2141474196422452,0.20008052909327667,0.3352623192378864
EOS-2-21563,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nncs6)cn5)n34)cc2)c1,YCWPTZKEACQYNK-UHFFFAOYSA-N,2,1,0.541,81,117,465.502,3.741,6,0.362,0.66,1.0,0.4217582756493729,0.4397488177643753,0.30088753341100677,0.27672880542800354,0.3597808580631896
EOS-2-21564,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cnsn6)c5)n34)cc2)nc1,OIQCHJFLVAWVDE-UHFFFAOYSA-N,2,1,0.471,40,8,465.502,3.741,6,0.362,0.67,1.0,0.6219416078404496,0.4662463162223288,0.297452196559523,0.2619765608937016,0.41190417037900073
EOS-2-21565,c1cc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)nc(-c2cncnc2)c1,FDLFFEAMXLYWQS-UHFFFAOYSA-N,2,1,0.473,81,868,465.502,3.741,6,0.362,0.66,1.0,0.40584949626482075,0.43092488520320743,0.30810945103145776,0.2708347611541361,0.3539296484134055
EOS-2-21566,c1cnnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)nc2)c1,LMNQDMCLQWMYAI-UHFFFAOYSA-N,2,1,0.541,81,117,465.502,3.741,6,0.362,0.61,1.0,0.31829552463847577,0.35087553971626345,0.34501576314166266,0.3134209444177918,0.3319019429785484
EOS-2-21567,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6nncs6)n5)n34)cn2)cc1,UBKAKKKFMUWJQL-UHFFFAOYSA-N,2,1,0.448,28,363,465.502,3.741,6,0.362,0.59,1.0,0.3796347063258173,0.44423788636830924,0.12733877047495032,0.15137756151052018,0.2756472311698993
EOS-2-21568,c1cncc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)n2)c1,DTVHHKYFWNWJFP-UHFFFAOYSA-N,2,1,0.484,40,25,465.502,3.741,6,0.362,0.71,1.0,0.3657905558220821,0.3461808649167295,0.2569734768007676,0.24104756356658213,0.3024981152765403
EOS-2-21569,c1cnnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)c1,UJKUCEKJZKLVPH-UHFFFAOYSA-N,2,1,0.489,81,120,465.502,3.741,6,0.362,0.57,1.0,0.414767664998972,0.4529247481324104,0.2141559865670619,0.20008909601809335,0.3204843739291344
EOS-2-21570,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)nn5)n34)cc2)cn1,CKCMFLZNVDWAEM-UHFFFAOYSA-N,2,1,0.494,40,2,465.502,3.741,6,0.362,0.55,1.0,0.42176684257418956,0.43975738468919195,0.26412685902268523,0.24683023781783292,0.3431203310259749
EOS-2-21571,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cscn6)n5)n34)cc2)cn1,WPSLTYZLPIIGIW-UHFFFAOYSA-N,2,1,0.447,40,355,465.502,3.741,6,0.362,0.65,1.0,0.4288259886231238,0.4220409841683229,0.32665684325954353,0.3007418956891234,0.3695664279350284
EOS-2-21572,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nccs6)nc5)n34)cc2)c1,DYXBWHASYAMXRG-UHFFFAOYSA-N,2,1,0.483,40,2,465.502,3.741,6,0.362,0.66,1.0,0.6391097251730519,0.5523867452539236,0.20376430676444385,0.18915769995202522,0.39610461928586116
EOS-2-21573,c1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)cn1,WCPFJCPOSLBTOP-UHFFFAOYSA-N,2,1,0.437,40,621,465.502,3.741,6,0.362,0.7,1.0,0.5055685011308341,0.49271811390583237,0.28655506819272153,0.24413165650058255,0.38224333493249263
EOS-2-21574,c1ncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)ncn2)cn1,MULKPEWAMLETGI-UHFFFAOYSA-N,2,1,0.484,40,868,465.502,3.741,6,0.362,0.62,1.0,0.4170293331505723,0.47483894181344666,0.37151326159961623,0.31651360427660885,0.394973785210061
EOS-2-21575,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cc5)n34)cn2)nc1,PYKIYVKOUWDLLZ-UHFFFAOYSA-N,2,1,0.466,40,2,465.502,3.741,6,0.362,0.75,1.0,0.4239856761017065,0.3558015214858474,0.29746076348433964,0.2681019121376191,0.33633746830237815
EOS-2-21576,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nncs6)cn5)n34)cc2)nc1,HDQBQPJSDQEXQY-UHFFFAOYSA-N,2,1,0.541,40,25,465.502,3.741,6,0.362,0.65,1.0,0.4495579466794599,0.417603317113289,0.2536152422726338,0.22052977863066273,0.3353265711740114
EOS-2-21577,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cscn6)cn5)n34)cc2)cn1,PIEFYERWWQCGRK-UHFFFAOYSA-N,2,1,0.437,40,147,465.502,3.741,6,0.362,0.64,1.0,0.49545952984716607,0.5107857583441848,0.2756236721266534,0.24105613049139882,0.38073127270235074
EOS-2-21578,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)nn5)n34)cn2)cc1,DPTYKKRTXWVULG-UHFFFAOYSA-N,2,1,0.435,81,218,465.502,3.741,6,0.362,0.65,1.0,0.30013364402714005,0.30683297923377423,0.20032896991296004,0.23235213487766432,0.25991193201288465
EOS-2-21579,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6nccs6)n5)n34)cn2)cc1,WICVHTSHJUGSKB-UHFFFAOYSA-N,2,1,0.426,28,363,465.502,3.741,6,0.362,0.71,1.0,0.37495716537591667,0.42204955109313963,0.1104704955109314,0.1391011582482352,0.26164459255705574
EOS-2-21580,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cnsc6)cn5)n34)cc2)cn1,FKMYISCPBYNVAG-UHFFFAOYSA-N,2,1,0.447,80,518,465.502,3.741,6,0.362,0.6,1.0,0.49798677266808306,0.4442464532931259,0.31940922486464257,0.282751353574121,0.38609845109999313
EOS-2-21581,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(C)nc5-c5cccnn5)n34)s2)nn1,HTSLAJGVROXWOY-UHFFFAOYSA-N,2,1,0.253,99,14,465.506,3.236,6,0.382,0.53,0.349,0.0776848742375437,0.09253992186964567,0.029033308203687203,0.030712425467754094,0.057492632444657674
EOS-2-21582,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nc(C)ns6)n5)n34)cc2)cn1,ZJJNMSKICOVTCK-UHFFFAOYSA-N,2,1,0.308,86,167,465.506,3.236,6,0.382,0.64,0.998,0.04710095264203961,0.12494003152628333,0.03250291275443767,0.037017682132821604,0.06039039476389556
EOS-2-21583,Cn1c(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)n[nH]c1=S,PXYBQBBKCMUVML-UHFFFAOYSA-N,2,1,0.279,42,761,465.506,3.163,6,0.39,0.66,1.0,0.07175656226440957,0.10870570899869783,0.07640840243986019,0.10754917414844767,0.09110496196285381
EOS-2-21584,CN=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)cn2)s1,DZCVRGYCFMAVFD-UHFFFAOYSA-N,2,1,0.444,92,847,434.489,1.523,5,0.43,0.47,0.951,0.3451442670139127,0.2146014666575286,0.022659516140086353,0.009320814200534577,0.14793151600301555
EOS-2-21585,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)cc2)cn1,HYHBGXLWXWXLCB-UHFFFAOYSA-N,2,1,0.319,42,170,434.488,4.434,6,0.405,0.71,1.0,0.08902748269481187,0.15779418819820437,0.5556336097594408,0.5526951545473237,0.3387876087999452
EOS-2-21586,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cc2)nn1,WMKGKUCGXZEVPE-UHFFFAOYSA-N,2,1,0.319,69,898,434.488,4.434,6,0.405,0.7,1.0,0.10118394900966349,0.13886985127818519,0.5585377972722911,0.5691350832705092,0.34193167020766224
EOS-2-21587,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)cn1,LCSGBRZAEUTAHP-UHFFFAOYSA-N,2,1,0.343,38,983,434.488,4.434,6,0.405,0.62,1.0,0.07769344116236036,0.16176924131313825,0.48009046672606404,0.47488177643753,0.2986087314097732
EOS-2-21588,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)nc2)c1,OIXDXWXEWKNJPS-UHFFFAOYSA-N,2,1,0.292,32,687,434.488,4.434,6,0.405,0.73,1.0,0.05347474470564046,0.11484819409224864,0.43388047426495785,0.45313892125282706,0.2638355835789185
EOS-2-21589,c1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cnn2)c1,MIMAHGCHWMITCB-UHFFFAOYSA-N,2,1,0.297,69,57,434.488,4.434,6,0.405,0.6,1.0,0.06406346377904187,0.15004968816393668,0.462605373175245,0.47489034336234665,0.2879022171201426
EOS-2-21590,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)c1,MFWXKBROSZRIGK-UHFFFAOYSA-N,2,1,0.299,94,191,434.488,4.434,6,0.405,0.69,1.0,0.13331848399698445,0.20014049756699334,0.4626139401000617,0.47190905352614626,0.31699549379754643
EOS-2-21591,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)s2)nc1,ACTDLJZOBILCIC-UHFFFAOYSA-N,2,1,0.333,38,983,434.488,4.434,6,0.405,0.71,1.0,0.14667431978616954,0.19548009046672607,0.35280309780001373,0.3707165375916661,0.26641851141114387
EOS-2-21592,c1cncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)cn2)c1,HSXAJLQGJBHPEE-UHFFFAOYSA-N,2,1,0.326,42,977,434.488,4.434,6,0.405,0.8,1.0,0.14404427386745253,0.16557295593173874,0.3450243300664793,0.38349838941813447,0.25953498732095126
EOS-2-21593,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)c1,WDEGLUQLLHAVNX-UHFFFAOYSA-N,2,1,0.344,9,894,434.488,4.434,6,0.405,0.77,1.0,0.04710951956685628,0.11783805085326571,0.5215800836131862,0.5562247275717909,0.31068809540127473
EOS-2-21594,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)nc2)nc1,ZCTDUVGRNWZJEA-UHFFFAOYSA-N,2,1,0.311,32,191,434.488,4.434,6,0.405,0.71,1.0,0.16618977451853884,0.2097097525872113,0.3229730655883764,0.34166609553834554,0.260134672058118
EOS-2-21595,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)cc5)n34)cn2)cn1,BIISPOCNJRWWNU-UHFFFAOYSA-N,2,1,0.31,42,327,434.488,4.434,6,0.405,0.69,1.0,0.1333270509218011,0.1314937290110342,0.5112655061339182,0.5227537523130698,0.3247100095949558
EOS-2-21596,c1cncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)c1,IGXSFKPMXTZAFS-UHFFFAOYSA-N,2,1,0.314,42,106,434.488,4.434,6,0.405,0.78,1.0,0.11936296347063258,0.16948804057295594,0.39024055924885204,0.3902748269481187,0.2673415975601398
EOS-2-21597,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncs6)n5)n34)cc2)nc1,VUUYDGAIHPFHQE-UHFFFAOYSA-N,2,1,0.329,38,983,434.488,4.434,6,0.405,0.69,1.0,0.10119251593448016,0.17403707765060653,0.35652114317044753,0.3612757864436982,0.2482566307998081
EOS-2-21598,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)cn1,HNMFXWXHXGIEMR-UHFFFAOYSA-N,2,1,0.359,9,894,434.488,4.434,6,0.405,0.73,1.0,0.04711808649167295,0.09589815639777945,0.5317147556713042,0.5527037214721403,0.30685868000822425
EOS-2-21599,c1ncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)cn2)cn1,WAULMWGAVWCSBO-UHFFFAOYSA-N,2,1,0.319,42,761,434.488,4.434,6,0.405,0.77,1.0,0.1440528407922692,0.1740456445754232,0.4936176410115825,0.5130131587965184,0.3311823212939483
EOS-2-21600,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cn2)nc1,NBJNYKMPQQGWAG-UHFFFAOYSA-N,2,1,0.296,32,339,434.488,4.434,6,0.405,0.77,1.0,0.031646220272770885,0.09590672332259612,0.4300167911726407,0.4655866630114454,0.2557890994448633
EOS-2-21601,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncs6)cn5)n34)cn2)cc1,MXOLXUWVLHBGSJ-UHFFFAOYSA-N,2,1,0.338,32,945,434.488,4.434,6,0.405,0.74,1.0,0.08650880679871154,0.18241553012130765,0.36765814543211567,0.41503323966828864,0.26290393050510585
EOS-2-21602,c1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)cs2)cc1,HKYBWCXICCHXNA-UHFFFAOYSA-N,2,1,0.319,32,126,434.488,4.434,6,0.405,0.73,1.0,0.06575114796792543,0.14616030429716947,0.22834281406346377,0.2708433280789528,0.17777439860187788
EOS-2-21603,c1csc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccncc6)n5)n34)cc2)c1,CFJIVULMRVCWTD-UHFFFAOYSA-N,2,1,0.347,38,186,434.488,4.434,6,0.405,0.69,1.0,0.11686998834898225,0.15780275512302103,0.3938815022959358,0.44981495442395997,0.27959230004797475
EOS-2-21604,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)s5)n34)cn2)cc1,UTFYJRNPNUWNRB-UHFFFAOYSA-N,2,1,0.315,30,945,434.488,4.434,6,0.405,0.73,0.999,0.041395380714138855,0.11485676101706531,0.23200089096018092,0.3256545130559934,0.17847688643684462
EOS-2-21605,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cn2)c1,OXVSJKKUAMTGOX-UHFFFAOYSA-N,2,1,0.306,9,57,434.488,4.434,6,0.405,0.78,1.0,0.04570454389692276,0.10202350764169693,0.5112740730587348,0.5259749160441368,0.29624426016037286
EOS-2-21606,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cncs6)n5)n34)cc2)cc1,PIUDCFVMKUUMDQ-UHFFFAOYSA-N,2,1,0.373,93,774,434.488,4.434,6,0.405,0.72,1.0,0.1412086217531355,0.20971831951202796,0.33754540470152833,0.4468507984373929,0.28383078610102114
EOS-2-21607,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)cc1,WUSGQGSNMRVHTJ-UHFFFAOYSA-N,2,1,0.322,32,515,434.488,4.434,6,0.405,0.76,0.998,0.0865173737235282,0.13150229593585086,0.2900846412171887,0.3482540607223631,0.2140895928997327
EOS-2-21608,c1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)s5)n34)nc2)nc1,MHGFUXUZXXILDE-UHFFFAOYSA-N,2,1,0.326,32,392,434.488,4.434,6,0.405,0.69,1.0,0.0842300047974779,0.11784661777808238,0.2756322390514701,0.32257898704680965,0.20007196216846002
EOS-2-21609,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)s5)n34)cc2)cn1,KKEYIGZGZPXPMZ-UHFFFAOYSA-N,2,1,0.371,38,327,434.488,4.434,6,0.405,0.72,1.0,0.14406140771708587,0.2146100335823453,0.437564251936125,0.4468593653622096,0.31077376464944145
EOS-2-21610,c1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)ns2)cc1,ISFCMJHVIRPVBM-UHFFFAOYSA-N,2,1,0.413,38,50,434.488,4.434,6,0.405,0.67,1.0,0.07176512918922623,0.14255362894935233,0.25698204372558425,0.33214824206702764,0.2008622609827976
EOS-2-21611,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncns6)nc5)n34)cn2)cc1,AZCQVDLJKNRLFF-UHFFFAOYSA-N,2,1,0.329,30,945,434.488,4.434,6,0.405,0.73,1.0,0.11937153039544925,0.16558152285655542,0.3489736824069632,0.40866801452950446,0.26064868754711806
EOS-2-21612,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)nc2)ccn1,PEEWRRRMTDGGNY-UHFFFAOYSA-N,2,1,0.309,32,957,434.488,4.434,6,0.405,0.77,1.0,0.04872010143238983,0.11486532794188198,0.46608354465081214,0.47784593242409706,0.27687872661229523
EOS-2-21613,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncs6)cc5)n34)cc2)cn1,BTNCITQQFPVVQC-UHFFFAOYSA-N,2,1,0.359,9,894,434.488,4.434,6,0.405,0.65,1.0,0.10622986772668083,0.1783034062093071,0.49362620793639916,0.5029213213624837,0.3202702008087177
EOS-2-21614,c1ccc(-c2ncncc2-c2nnc3cncc(-c4csc(-c5ccccn5)n4)n23)cc1,DYDDGZJRRVEHAQ-UHFFFAOYSA-N,2,1,0.315,32,126,434.488,4.434,6,0.405,0.73,0.962,0.039947570420121994,0.11487389486669865,0.20738811596189433,0.2827599204989377,0.16124237543691317
EOS-2-21615,c1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cs2)nc1,JUTSGXQECHLBIG-UHFFFAOYSA-N,2,1,0.348,38,126,434.488,4.434,6,0.405,0.74,1.0,0.0677558083750257,0.1694966074977726,0.2607000890960181,0.2827684874237544,0.1951802480981427
EOS-2-21616,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)cc1,SPKAAZYRERXMOH-UHFFFAOYSA-N,2,1,0.315,30,371,434.488,4.434,6,0.405,0.69,1.0,0.03839695702830512,0.0830049345486944,0.33428140634637793,0.4086765814543212,0.21608996984442466
EOS-2-21617,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncs6)cn5)n34)cc2)nc1,NMFQEEXCPYORPU-UHFFFAOYSA-N,2,1,0.324,38,787,434.488,4.434,6,0.405,0.69,1.0,0.06407203070385854,0.14256219587416902,0.39389006922075254,0.4279521622918237,0.25711911452265096
EOS-2-21618,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)nc5)n34)nc2)nc1,JFQFGLMXSGXNOT-UHFFFAOYSA-N,2,1,0.326,32,191,434.488,4.434,6,0.405,0.68,1.0,0.08423857172229457,0.17831197313412378,0.3156740456445754,0.33543794119662806,0.22841563292440545
EOS-2-21619,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)s2)nc1,PMBGVJCBKPFEQI-UHFFFAOYSA-N,2,1,0.297,76,368,434.488,4.434,6,0.405,0.71,0.999,0.04430813515180591,0.11488246179151532,0.3865653485025015,0.41504180659310536,0.24019943800973204
EOS-2-21620,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5csnn5)nc4)n23)cc1,HDINZQQZJQLMGM-UHFFFAOYSA-N,2,1,0.307,30,371,434.488,4.434,6,0.405,0.67,0.992,0.035449934891371396,0.09883661160989651,0.32666541018436024,0.405275512302104,0.21655686724693304
EOS-2-21621,c1ccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6cncs6)n5)n34)cc2)cc1,WMFGFOWMPIVFKS-UHFFFAOYSA-N,2,1,0.368,93,774,434.488,4.434,6,0.405,0.62,1.0,0.13847577273661846,0.20972688643684462,0.337553971626345,0.44686793228702626,0.2831561407717086
EOS-2-21622,c1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)s2)nc1,WDSDAWRWUWEWHQ-UHFFFAOYSA-N,2,1,0.319,38,983,434.488,4.434,6,0.405,0.63,1.0,0.0717736961140429,0.15005825508875334,0.2569906106504009,0.28556130491398807,0.1910959666917963
EOS-2-21623,c1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)s2)c1,YJROCMJXTJPHKL-UHFFFAOYSA-N,2,1,0.333,42,983,434.488,4.434,6,0.405,0.64,1.0,0.055111027345624015,0.14257076279898567,0.38289013775615105,0.40868514837913783,0.24731426906997464
EOS-2-21624,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cc2)cn1,PCUNQPGPBLYYMJ-UHFFFAOYSA-N,2,1,0.314,9,894,434.488,4.434,6,0.405,0.75,1.0,0.034182030018504554,0.09884517853471318,0.5910235761770954,0.6153450757316153,0.3348489651154821
EOS-2-21625,c1csc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cnccn6)cn5)n34)cc2)c1,RGBRPEJNMGKHQQ-UHFFFAOYSA-N,2,1,0.284,64,327,434.488,4.434,6,0.405,0.74,1.0,0.09634363648824618,0.13151086286066754,0.3865739154273182,0.44024569940374203,0.2636685285449935
EOS-2-21626,c1ccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)n2)cc1,PWWSJHFZXMIXLT-UHFFFAOYSA-N,2,1,0.377,93,553,434.488,4.434,6,0.405,0.64,1.0,0.1248115276540333,0.14616887122198616,0.32298163251319306,0.3645140840243986,0.23961902885340275
EOS-2-21627,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cc2)cn1,XWQXGEGXFIRHNG-UHFFFAOYSA-N,2,1,0.315,42,171,434.488,4.434,6,0.405,0.73,1.0,0.09635220341306285,0.20014906449181002,0.5556421766842574,0.5494996915907066,0.3504107840449592
EOS-2-21628,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)nc1,PSJLOQFHCUMBOO-UHFFFAOYSA-N,2,1,0.3,32,935,434.488,4.434,6,0.405,0.7,1.0,0.07770200808717703,0.13887841820300184,0.24629052155438283,0.2855698718388047,0.18711020492084163
EOS-2-21629,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cn2)c1,WUZMTZOFEJRHDR-UHFFFAOYSA-N,2,1,0.289,69,174,434.488,4.434,6,0.405,0.69,1.0,0.09858817079021315,0.1578113220478377,0.4660921115756288,0.48413405523953124,0.30165641491330275
EOS-2-21630,c1ccc(-c2nccnc2-c2nnc3cncc(-c4snnc4-c4ccccc4)n23)cc1,OJPJRMNFOVWVRR-UHFFFAOYSA-N,2,1,0.324,30,365,434.488,4.434,6,0.405,0.72,1.0,0.019455486258652593,0.03858542937427181,0.13637687615653485,0.27085189500376944,0.11631742169830717
EOS-2-21631,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ncnn1C,BSRVEFUXBVHPLJ-UHFFFAOYSA-N,2,1,0.5,36,248,434.485,2.939,5,0.402,0.72,1.0,0.26246487560825166,0.2047837708176273,0.07430950585977658,0.03281988897265438,0.14359451031457748
EOS-2-21632,COc1cc(-c2nnc3cncc(OCCc4cncs4)n23)ccc1-c1ncnn1C,LYDRNBPIJRQGBK-UHFFFAOYSA-N,2,1,0.529,15,771,434.485,2.673,5,0.385,0.67,1.0,0.35886848057021453,0.17405421150023986,0.09745733671441299,0.05650743609074087,0.17172186621890206
EOS-2-21633,COCCn1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)cn1,REVOBFZQDMETNY-UHFFFAOYSA-N,2,1,0.446,92,329,434.485,2.732,5,0.367,0.61,1.0,0.19401514632307587,0.04955966006442328,0.10252895620588033,0.07504626139401001,0.10528750599684737
EOS-2-21634,COc1ccc(-c2nnc3cncc(OCc4nc(C)cs4)n23)cc1-c1ncnn1C,JDMAGOACWGYCID-UHFFFAOYSA-N,2,1,0.511,36,677,434.485,2.939,5,0.402,0.71,1.0,0.20235933109451032,0.18678466177780823,0.07221060927969296,0.03176615722020423,0.12328018984305394
EOS-2-21635,COCCn1cc(-c2ccnc(-c3nnc4cncc(OCc5cscn5)n34)c2)cn1,JBMBRENJAGFHHV-UHFFFAOYSA-N,2,1,0.457,92,711,434.485,2.732,5,0.367,0.7,1.0,0.13848433966143514,0.026908710849153587,0.10528750599684737,0.07107120827907615,0.08543794119662806
EOS-2-21636,COc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)nn2C)n1,CCLFNWPXJBYYMJ-UHFFFAOYSA-N,2,1,0.42,31,569,434.485,2.673,5,0.385,0.56,0.999,0.24921184291686657,0.03564697416215475,0.06780720992392571,0.04195223082722226,0.09865456445754232
EOS-2-21637,COc1cc(-c2nnc3cncc(OCc4nc(C)ns4)n23)ccc1-c1cncn1C,UENSBYZBXOWBND-UHFFFAOYSA-N,2,1,0.442,7,248,434.485,2.939,5,0.402,0.65,1.0,0.3001422109519567,0.17406277842505655,0.09277979576451237,0.0484887944623398,0.15386839490096635
EOS-2-21638,COc1nc(-c2nnc3cncc(OCc4scnc4C)n23)ccc1-c1cn(C)cn1,RZXZWRVSILQWFC-UHFFFAOYSA-N,2,1,0.424,31,456,434.485,2.939,5,0.402,0.52,0.994,0.34265129189226234,0.1740713453498732,0.05793811253512439,0.021802823658419575,0.14911589335891987
EOS-2-21639,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1cnnn1C,CLJUKSCKDNDNOF-UHFFFAOYSA-N,2,1,0.495,36,638,434.485,2.939,5,0.402,0.7,1.0,0.1741570145980399,0.17832054005894044,0.10785758344184772,0.05240387910355699,0.12818475430059625
EOS-2-21640,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)nn2C)nc1,ZEAYWNFSPREALQ-UHFFFAOYSA-N,2,1,0.528,31,477,434.485,2.673,5,0.385,0.67,0.981,0.19971215132615996,0.1087142759235145,0.04698101569460626,0.02690014392433692,0.09557689671715441
EOS-2-21641,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc7ccccc7n6)o5)n34)cc2)cc1,VDHRAUWJCPSQMP-UHFFFAOYSA-N,2,1,0.342,21,993,465.516,6.934,7,0.282,0.8,0.998,0.2568364060037009,0.21461860050716194,0.8328935645260778,0.865662051949832,0.5425026557466931
EOS-2-21642,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nn5)n34)c(F)c2)n1,PIJLZPUGBMVNAO-UHFFFAOYSA-N,2,1,0.359,30,641,465.517,5.486,6,0.343,0.76,1.0,0.17998252347337398,0.3605218970598314,0.5585463641971078,0.5968233842779795,0.4239685422520732
EOS-2-21643,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cncc(F)c6)c5)n34)cc2)cs1,LBYPBDQYBFAVJA-UHFFFAOYSA-N,2,1,0.298,69,532,465.517,5.486,6,0.343,0.7,1.0,0.2865722020423549,0.3651908710849154,0.705589061750394,0.6906483448701254,0.5120001199369474
EOS-2-21644,CC(=O)N(C)c1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,PVQGUSCREQJTTO-UHFFFAOYSA-N,2,1,0.488,11,529,465.517,3.853,5,0.36,0.75,1.0,0.3973768076211363,0.07253615242272633,0.3229901994380097,0.16987355218970598,0.24069417791789458
EOS-2-21645,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)nc2)s1,FERYLDKYOBORRV-UHFFFAOYSA-N,2,1,0.359,93,651,465.517,5.486,6,0.343,0.65,1.0,0.2109262559111781,0.4034421903913371,0.5619045987252416,0.632684531560551,0.4522393941470769
EOS-2-21646,Cc1ccnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)s2)c1,KDHKXJCJABCVIW-UHFFFAOYSA-N,2,1,0.309,64,176,465.517,5.486,6,0.343,0.67,0.983,0.24354053868823247,0.36053046398464805,0.5250325543143033,0.5940648344870125,0.43079209786854905
EOS-2-21647,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)c(-c2ccc(F)cn2)n1,YTZPTUDXDUSIEB-UHFFFAOYSA-N,2,1,0.289,69,299,465.517,5.486,6,0.343,0.74,1.0,0.24645329312589953,0.38925536289493523,0.630337194160784,0.6473768076211364,0.4783556644506888
EOS-2-21648,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)c(F)c2)n1,ASHOBDGGFGOETL-UHFFFAOYSA-N,2,1,0.333,32,20,465.517,5.486,6,0.343,0.67,1.0,0.18567096155164142,0.38430368035090123,0.597534439037763,0.5940734014118292,0.4403956205880337
EOS-2-21649,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cscc5-c5ccc(F)cc5)n34)cc2)nn1,IGALNEMNNGELGP-UHFFFAOYSA-N,2,1,0.377,9,38,465.517,5.486,6,0.343,0.66,1.0,0.28389075457473784,0.41294291001302175,0.7030875197039271,0.737106778150915,0.5342569906106505
EOS-2-21650,Cc1csc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cc2F)n1,ZZPINSLXDDOFMV-UHFFFAOYSA-N,2,1,0.329,69,696,465.517,5.486,6,0.343,0.6,1.0,0.227357617709547,0.37506853539853335,0.7157323007333287,0.7156808991844288,0.5084598382564595
EOS-2-21651,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cccc(-c5cccnc5)n4)n23)s1,YGECJQLJOYPEOR-UHFFFAOYSA-N,2,1,0.343,32,20,465.517,5.486,6,0.343,0.72,0.998,0.11687855527379892,0.33608046055787816,0.444914673428826,0.5364008635460216,0.35856863820163115
EOS-2-21652,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cn5)n34)cc2)cs1,VPFIRPHNFMCWHR-UHFFFAOYSA-N,2,1,0.333,69,532,465.517,5.486,6,0.32,0.75,1.0,0.1714070317318895,0.3409807415530121,0.7055976286752107,0.6822356247001576,0.47505525666506754
EOS-2-21653,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)ccn2)s1,CKYBFKOQIBKMMM-UHFFFAOYSA-N,2,1,0.333,93,220,465.517,5.486,6,0.343,0.73,1.0,0.2543434308820506,0.37019395517784937,0.5686896031800425,0.6444212185593859,0.45941205194983215
EOS-2-21654,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)c(F)c2)nn1,PENKNNOTJDCGMT-UHFFFAOYSA-N,2,1,0.329,69,152,465.517,5.486,6,0.343,0.79,1.0,0.22736618463436364,0.39383010074703584,0.6926615722020424,0.6791172640668905,0.4982437804125831
EOS-2-21655,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cn5)n34)s2)nn1,SKQFPOYGUOAPOP-UHFFFAOYSA-N,2,1,0.312,32,653,465.517,5.486,6,0.343,0.78,0.816,0.16061270646288808,0.36519943800973204,0.6159704612432322,0.6557552600918375,0.4493844664519224
EOS-2-21656,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)s1,QCJLRXIAWWBOAR-UHFFFAOYSA-N,2,1,0.313,30,371,465.517,5.486,6,0.32,0.68,1.0,0.17999109039819067,0.29192653005277225,0.47311698992529644,0.5462528270851895,0.3728218593653622
EOS-2-21657,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c(-c2ccc(F)cc2)n1,UHWWORSLOJUSHU-UHFFFAOYSA-N,2,1,0.34,32,20,465.517,5.486,6,0.343,0.73,0.998,0.2134020971831951,0.39872181481735314,0.6332842162977178,0.6557638270166541,0.47529298882873006
EOS-2-21658,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5csc(-c6cc(F)ccn6)n5)n34)cc2)cn1,RGAQRVLHVFLCKG-UHFFFAOYSA-N,2,1,0.329,32,126,465.517,5.486,6,0.343,0.73,1.0,0.15795695976972107,0.37507710232335,0.6332927832225345,0.6444297854842026,0.4526891576999521
EOS-2-21659,Cc1nc(-c2ncc(F)cn2)c(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)s1,KGRRJXDIWWMEPF-UHFFFAOYSA-N,2,1,0.325,93,651,465.517,5.486,6,0.343,0.67,1.0,0.20236789801932697,0.3360890274826948,0.3342899732711946,0.4778544993489137,0.3376503495305325
EOS-2-21660,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)s2)nn1,HDLIAAPZCHAULX-UHFFFAOYSA-N,2,1,0.354,30,74,465.517,5.486,6,0.343,0.64,1.0,0.28389932149955455,0.4881519429785484,0.5317233225961209,0.6181293262970324,0.4804759783428141
EOS-2-21661,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)s2)nc1,KNWJHFFHBBMLQH-UHFFFAOYSA-N,2,1,0.325,38,126,465.517,5.486,6,0.32,0.53,1.0,0.28103796861078745,0.4176118840381057,0.5585549311219244,0.5722705777534096,0.4573688403810568
EOS-2-21662,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cccc(F)c6)cn5)n34)cc2)cs1,AATGNEALXKBYMM-UHFFFAOYSA-N,2,1,0.375,69,532,465.517,5.486,6,0.343,0.73,1.0,0.2109348228359948,0.37508566924816666,0.6247258584058666,0.6502381605099034,0.46524612774998286
EOS-2-21663,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(C#N)ccn6)cn5)n34)cc2)cc1,HNCCKFQBHCYOBL-UHFFFAOYSA-N,2,1,0.358,93,479,465.52,5.762,6,0.328,0.75,1.0,0.22996196285381398,0.3120673702967583,0.8792234939346172,0.8673069015146323,0.5721399321499555
EOS-2-21664,c1ccc(-c2nn3ccccc3c2-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,JLMUWXMYFXTFKP-UHFFFAOYSA-N,2,1,0.325,21,810,465.52,5.835,7,0.327,0.73,1.0,0.06408059762867521,0.14257932972380236,0.6707216777465561,0.7526471797683504,0.40750719621684606
EOS-2-21665,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)cc1,PXYLFERLXRMBIV-UHFFFAOYSA-N,2,1,0.608,1,138,434.471,6.036,5,0.327,0.81,1.0,0.9461226098279761,0.8038259886231238,0.9736224384894798,0.9617915153176616,0.9213406380645605
EOS-2-21666,Cc1ccc(-c2nnc3cncc(OCc4cscc4-c4ccc(F)cc4F)n23)cc1,VZJUIUVGZXUWKC-UHFFFAOYSA-N,2,1,0.603,43,326,434.471,5.685,5,0.357,0.75,1.0,0.9587416900829279,0.9189654581591392,0.944863271879926,0.9356709615516414,0.9395603454184086
EOS-2-21667,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6ccnc6C)cn5)n34)nc2)n[nH]1,JUHMVMBXQODRHX-UHFFFAOYSA-N,2,1,0.235,70,652,434.467,3.441,6,0.452,0.55,0.895,0.013475772736618463,0.010820026043451442,0.2536238091974505,0.19446919333835927,0.1180972003289699
EOS-2-21668,Cn1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)ncn2)n1,NEWJOOHYAONCKZ-UHFFFAOYSA-N,2,1,0.311,98,42,434.467,3.049,6,0.42,0.62,1.0,0.06776437529984237,0.04234630936878898,0.2354961962853814,0.19447776026317593,0.13502116030429717
EOS-2-21669,Cn1nc(-c2ccccc2)cc1-c1cncc2nnc(-c3ccc(-c4nnnn4C)cc3)n12,DQFQPNDENFASRP-UHFFFAOYSA-N,2,1,0.362,25,791,434.467,3.049,6,0.42,0.77,1.0,0.055119594270440685,0.09254848879446234,0.1424251250771023,0.18095915290247414,0.11776309026111986
EOS-2-21670,CCn1c(-c2cn[nH]c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,BXQUEVYDLQOZCG-UHFFFAOYSA-N,2,1,0.277,8,474,434.467,3.522,6,0.441,0.7,1.0,0.08903604961962854,0.072544719347543,0.08819649098759509,0.1486875471180865,0.09961620176821329
EOS-2-21671,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3cccc(-c4nnnn4C)c3)n12,DIIHSNDICMJOBH-UHFFFAOYSA-N,2,1,0.295,25,791,434.467,3.049,6,0.42,0.8,1.0,0.031654787197587554,0.0460129531903228,0.0857977520389281,0.14143992872318553,0.07622635528750599
EOS-2-21672,Cn1cc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nn4)n23)c(-c2ccccc2)n1,LEMZQWAWORAGHG-UHFFFAOYSA-N,2,1,0.32,98,63,434.467,3.049,6,0.42,0.71,0.891,0.039956137344938664,0.018504557604002467,0.09278836268932904,0.11707559454458227,0.06708116304571311
EOS-2-21673,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)nn2)n1,MEHVNDTZXQZIRP-UHFFFAOYSA-N,2,1,0.319,98,63,434.467,3.049,6,0.42,0.66,1.0,0.0777105750119937,0.04956822698923994,0.2462990884791995,0.21771126036597901,0.14782228771160305
EOS-2-21674,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cn5)n34)cc2)n1,VOXWGPYHJXQEPU-UHFFFAOYSA-N,2,1,0.307,98,42,434.467,3.049,6,0.42,0.67,1.0,0.1687255842642725,0.06874957165375917,0.22835138098828045,0.19187341511890893,0.16442498800630528
EOS-2-21675,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)cn5)n34)cc2)n[nH]1,YEBGHPHFOXVGCZ-UHFFFAOYSA-N,2,1,0.286,38,725,434.467,3.347,6,0.452,0.69,1.0,0.05194126516345693,0.08301350147351107,0.23550476321019806,0.19188198204372559,0.1405853779727229
EOS-2-21676,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,GAMHSRVJPKHPDA-UHFFFAOYSA-N,2,1,0.281,9,7,434.467,3.347,6,0.452,0.66,1.0,0.10120108285929683,0.08302206839832774,0.2569991775752176,0.2205383455554794,0.16544016859708038
EOS-2-21677,CCn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,SUNOWSNNJOMLBL-UHFFFAOYSA-N,2,1,0.265,9,7,434.467,3.522,6,0.441,0.68,1.0,0.07771914193681036,0.07607429237201015,0.26788773901720236,0.24106469741621547,0.16568646768555959
EOS-2-21678,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cn(C)nn6)c5)n34)cn2)cn1,NJYXPGNDFRAEFZ-UHFFFAOYSA-N,2,1,0.284,98,727,434.467,3.049,6,0.42,0.67,1.0,0.023550476321019805,0.026917277773970256,0.3008961003358235,0.2736104447947365,0.1562435748063875
EOS-2-21679,Cc1nn(C)c(-c2ccccn2)c1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,XQQOELJFHPCZKQ-UHFFFAOYSA-N,2,1,0.288,98,7,434.467,3.347,6,0.452,0.57,1.0,0.048728668357206496,0.061030772393941474,0.12470015763141663,0.13450928654650127,0.09224222123226647
EOS-2-21680,Cc1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cnn1C,SRWSNENWKDNNHN-UHFFFAOYSA-N,2,1,0.278,9,7,434.467,3.347,6,0.452,0.67,1.0,0.08424713864711124,0.09255705571927901,0.25363237612226713,0.21514974984579535,0.16139658008361318
EOS-2-21681,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cc2)cn1,ROVXITMAXWGSAI-UHFFFAOYSA-N,2,1,0.3,98,882,434.467,3.049,6,0.42,0.73,1.0,0.07365841957370982,0.07255328627235967,0.2790675759029539,0.25607394969501746,0.17033830786101023
EOS-2-21682,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)cc2)n1,FTVIOTBEBHRRIR-UHFFFAOYSA-N,2,1,0.303,98,369,434.467,3.049,6,0.42,0.72,1.0,0.14406997464190255,0.05340620930710712,0.2245819340689466,0.19189054896854224,0.15348716674662463
EOS-2-21683,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)cc2)cn1,OWQSLMUDYYQOKH-UHFFFAOYSA-N,2,1,0.312,25,508,434.467,3.049,6,0.42,0.73,1.0,0.0890446165444452,0.061039339318758136,0.2865636351175382,0.27361901171955316,0.17756665067507366
EOS-2-21684,Cn1cc(-c2nnc3cncc(-c4cccc(-c5nncn5C)n4)n23)c(-c2ccccc2)n1,GTIXSPSXNHJPPN-UHFFFAOYSA-N,2,1,0.299,76,259,434.467,3.049,6,0.42,0.74,0.991,0.044316702076622576,0.024809814269069974,0.08343328078952779,0.11243232129394833,0.06624802960729216
EOS-2-21685,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)c5)n34)cn2)cn1,ZNSKVRLBGPSWRJ-UHFFFAOYSA-N,2,1,0.295,98,765,434.467,3.049,6,0.42,0.75,1.0,0.03692344595983826,0.03565554108697142,0.26070865602083476,0.2441402234253992,0.14435696662326092
EOS-2-21686,Cn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)cn1,DYSDOVUWNFOCDT-UHFFFAOYSA-N,2,1,0.306,98,167,434.467,3.049,6,0.42,0.64,1.0,0.07772770886162703,0.04602152011513947,0.29366561579055583,0.2497344253306833,0.1667873175245014
EOS-2-21687,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)n1,MLCVIRHZKNQPRU-UHFFFAOYSA-N,2,1,0.301,70,812,434.467,3.049,6,0.42,0.65,1.0,0.08652594064834487,0.05341477623192379,0.20033753683777672,0.16195771365910494,0.1255589918442876
EOS-2-21688,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)cn1,ZSCANSRQVQFBJL-UHFFFAOYSA-N,2,1,0.329,25,508,434.467,3.049,6,0.42,0.77,1.0,0.0842557055719279,0.05720992392570763,0.27144301281611954,0.28557843876362143,0.1746217702693441
EOS-2-21689,Cc1nn(C)c(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(-c4c[nH]nn4)nc3)n12,UJAULUMLOGECSO-UHFFFAOYSA-N,2,1,0.293,98,727,434.467,3.347,6,0.452,0.55,0.968,0.04712665341648962,0.06875813857857584,0.142433692001919,0.17256356658213967,0.10772051264478102
EOS-2-21690,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)cn5)n34)cc2)n1,JXIUBQSBWGFATI-UHFFFAOYSA-N,2,1,0.293,98,63,434.467,3.049,6,0.42,0.65,1.0,0.08653450757316154,0.042354876293605646,0.2865722020423549,0.23529059008978137,0.16268804399972586
EOS-2-21691,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)nc1,GVPSOBVLUQKJCC-UHFFFAOYSA-N,2,1,0.329,86,812,434.467,3.049,6,0.42,0.66,1.0,0.14668288671098623,0.0687667055033925,0.16098965115482147,0.13669385237475157,0.12828327393598793
EOS-2-21692,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cn5)n34)cc2)n[nH]1,OVDWKGSRELEMFP-UHFFFAOYSA-N,2,1,0.286,38,714,434.467,3.347,6,0.452,0.74,1.0,0.05871770269344116,0.07608285929682682,0.29009320814200534,0.23529915701459803,0.16504823178671785
EOS-2-21693,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)c2)nn1,FSYBVLYEKXDFSF-UHFFFAOYSA-N,2,1,0.311,42,42,434.467,3.049,6,0.42,0.69,1.0,0.060559591529024744,0.022462476869302996,0.28299122746898775,0.25608251661983417,0.1555239531217874
EOS-2-21694,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)cc1,FZXMVCLGVCSSDE-UHFFFAOYSA-N,2,1,0.289,98,42,434.467,3.049,6,0.42,0.73,1.0,0.13333561784661777,0.042363443218422316,0.180111027345624,0.1780121307655404,0.13345555479405113
EOS-2-21695,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)cc5)n34)cc2)nn1,DLIYHQYANNJMSM-UHFFFAOYSA-N,2,1,0.326,9,764,434.467,3.049,6,0.42,0.75,1.0,0.07998081008841067,0.04957679391405661,0.290101775066822,0.26811047906243574,0.17194246453293127
EOS-2-21696,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)nn6)nc5)n34)cc2)cn1,SMZJEAPEFMNONC-UHFFFAOYSA-N,2,1,0.289,98,725,434.467,3.049,6,0.42,0.72,1.0,0.042868891782605716,0.04603008703995614,0.3194177917894593,0.2855870056884381,0.1734759440751148
EOS-2-21697,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccnc6)nn5C)n34)cc2)n[nH]1,PHILJXUGOFBGID-UHFFFAOYSA-N,2,1,0.278,38,725,434.467,3.347,6,0.452,0.74,1.0,0.029273182098553903,0.07609142622164349,0.2037728736892605,0.18358919882119115,0.12318167020766227
EOS-2-21698,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cc1,TUQFHIBCRALCJO-UHFFFAOYSA-N,2,1,0.329,25,791,434.467,3.049,6,0.42,0.75,1.0,0.09158042629017887,0.0460386539647728,0.2320094578849976,0.24974299225549998,0.1548428825988623
EOS-2-21699,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)cn1,BXYRXUCACCBSCM-UHFFFAOYSA-N,2,1,0.32,25,508,434.467,3.049,6,0.42,0.76,1.0,0.09381639366732918,0.07256185319717634,0.28658076896717155,0.29142108148858886,0.18609502433006647
EOS-2-21700,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)nn6)nc5)n34)cc2)n[nH]1,UIDXORUTFKWFRY-UHFFFAOYSA-N,2,1,0.268,98,725,434.467,3.347,6,0.452,0.67,0.998,0.055128161195257354,0.06877527242820917,0.2829997943938044,0.25876396408745117,0.16641679802618053
EOS-2-21701,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)cc5)n34)cc2)nn1,DRRROKMBLJIALR-UHFFFAOYSA-N,2,1,0.33,9,764,434.467,3.049,6,0.42,0.71,1.0,0.07366698649852649,0.05342334315674046,0.30090466726064014,0.2945223082722226,0.18062932629703243
EOS-2-21702,Fc1cc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1csc(C2COC2)n1,PPGCMOVASHRPCN-UHFFFAOYSA-N,2,1,0.614,4,92,465.535,4.808,6,0.358,0.7,1.0,0.5762541977931601,0.7254129257761633,0.3938986361455692,0.4372215749434583,0.5331968336645877
EOS-2-21703,O=S(=O)(c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1)N1CCOCC1,QZGNZXGKFICKOA-UHFFFAOYSA-N,2,1,0.708,0,576,465.535,2.434,5,0.413,0.89,1.0,0.47343396614351313,0.11785518470289905,0.0095007196216846,0.06574258104310876,0.16663311287780141
EOS-2-21704,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)o5)n34)cn2)cc1,KQVVWTWRLUKPDP-UHFFFAOYSA-N,2,1,0.301,76,193,434.463,4.217,6,0.41,0.67,0.816,0.09158899321499554,0.06512576245630869,0.3528116647248304,0.34826262764717975,0.2144472620108286
EOS-2-21705,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)nc2)o1,IUENAKBWGDMMKE-UHFFFAOYSA-N,2,1,0.269,70,687,434.463,4.217,6,0.41,0.76,0.996,0.08209684051812761,0.016919676512918924,0.35282023164964704,0.297606401206223,0.18736078747172913
EOS-2-21706,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(C#N)c5)n34)cn2)cn1,QKPSQNJJOABPOZ-UHFFFAOYSA-N,2,1,0.578,84,282,434.463,3.445,5,0.399,0.81,1.0,0.9032108834212871,0.8232215064080598,0.5585634980467411,0.4719176204509629,0.6892283770817628
EOS-2-21707,Cc1cn(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)cn1,UKXDRDQPVDZMMJ-UHFFFAOYSA-N,2,1,0.3,38,57,434.463,4.217,6,0.41,0.75,1.0,0.10378829415393051,0.09885374545952985,0.33429854019601124,0.28277705434857103,0.20492940853951067
EOS-2-21708,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)n1C,VRYIYELAZFSOAZ-UHFFFAOYSA-N,2,1,0.32,38,193,434.463,4.217,6,0.41,0.69,1.0,0.09382496059214585,0.061047906243574805,0.1967479953395929,0.2233140291960798,0.14373372284284833
EOS-2-21709,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)n1C,QCXXTASLEJWSNC-UHFFFAOYSA-N,2,1,0.315,38,818,434.463,4.217,6,0.41,0.76,1.0,0.2326776780206977,0.1020320745665136,0.4338890411897745,0.36452265094921527,0.28328036118155026
EOS-2-21710,Cc1nn(C)c(-c2ccccn2)c1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,LAJHOFRYBBKECH-UHFFFAOYSA-N,2,1,0.3,38,725,434.463,4.217,6,0.41,0.68,1.0,0.1012096497841135,0.04604722088958947,0.24988862997738331,0.26497498457953533,0.1655301213076554
EOS-2-21711,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccncc6)c5)n34)o2)n1C,JQDOXQCAUUFNBT-UHFFFAOYSA-N,2,1,0.268,76,179,434.463,4.217,6,0.41,0.69,0.999,0.060568158453841406,0.006356658213967514,0.2245905009937633,0.2736275786443698,0.1412857240764855
EOS-2-21712,Cc1cccc(-c2c(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cnn2C)n1,RQUKXHOZPWZUEJ-UHFFFAOYSA-N,2,1,0.301,38,532,434.463,4.217,6,0.41,0.66,1.0,0.057064286203824276,0.04958536083887328,0.3156826125693921,0.27673737235282025,0.17476740799122747
EOS-2-21713,Cn1cc(-c2cccc(Oc3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)c2)cn1,SSVKUGBSKFUQLD-UHFFFAOYSA-N,2,1,0.488,41,722,434.463,4.374,6,0.432,0.72,1.0,0.41248029607292164,0.33609759440751147,0.6979130971146598,0.6358799945171681,0.5205927455280652
EOS-2-21714,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)nc2)cn1,APIHDPQJZGJOCT-UHFFFAOYSA-N,2,1,0.296,70,191,434.463,4.392,6,0.397,0.75,1.0,0.08210540744294428,0.04605578781440614,0.3755054485641834,0.3354465081214447,0.20977828798574463
EOS-2-21715,Cc1nc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccccc6)ncn5C)n34)cc2)no1,AMDGFDXZEBUTBU-UHFFFAOYSA-N,2,1,0.297,9,553,434.463,4.217,6,0.41,0.76,1.0,0.06237577959015832,0.061056473168391474,0.18661332328147487,0.22054691248029606,0.1326481221300802
EOS-2-21716,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n(C)n2)o1,DRNFZIUMLLZEJI-UHFFFAOYSA-N,2,1,0.362,93,74,434.463,4.217,6,0.41,0.76,1.0,0.07178226303885957,0.09591529024741278,0.2283599479130971,0.28559557261325474,0.17041326845315605
EOS-2-21717,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)cc5)n34)cc2)o1,CHRBAWOHVWUGPI-UHFFFAOYSA-N,2,1,0.329,9,894,434.463,4.217,6,0.41,0.76,1.0,0.11108731409773148,0.11786375162771572,0.3977537523130697,0.34167466246316225,0.24209487012541978
EOS-2-21718,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)cc2)n1C,YICDMDWCYSGLKH-UHFFFAOYSA-N,2,1,0.326,38,818,434.463,4.217,6,0.41,0.7,1.0,0.2080906037968611,0.07961243232129395,0.4375728188609417,0.3645312178740319,0.27245176821328215
EOS-2-21719,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)o5)n34)cc2)n1,SSNFTTQFSDSNEI-UHFFFAOYSA-N,2,1,0.303,38,983,434.463,4.217,6,0.41,0.64,1.0,0.13334418477143445,0.05343191008155712,0.34898224933177985,0.29761496813103966,0.20834332807895278
EOS-2-21720,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)cc2)c1,NOHLKQJBDGTIQG-UHFFFAOYSA-N,2,1,0.426,28,603,434.463,3.946,6,0.426,0.67,1.0,0.44013432938112534,0.3508841066410801,0.5782845589747104,0.5227623192378864,0.47301632855870057
EOS-2-21721,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,RKZLTUSMXGMGEP-UHFFFAOYSA-N,2,1,0.506,77,603,434.463,3.946,6,0.426,0.71,1.0,0.5994105955726132,0.3652080049345487,0.609965046946748,0.5495082585155233,0.5310229764923584
EOS-2-21722,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)c5)n34)cc2)o1,ZLUYHBBIWNUCEF-UHFFFAOYSA-N,2,1,0.316,9,642,434.463,4.217,6,0.41,0.74,1.0,0.1306113357549174,0.06513432938112534,0.4047700637379206,0.36453978479884863,0.241263878418203
EOS-2-21723,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)o2)n1C,CWVQIOILZMYIOM-UHFFFAOYSA-N,2,1,0.307,38,193,434.463,4.217,6,0.41,0.67,0.999,0.08905318346926187,0.06514289630594201,0.23928277705434858,0.2736361455691865,0.16677875059968472
EOS-2-21724,CCn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cc2)cn1,XTKCJXUXBIXXHY-UHFFFAOYSA-N,2,1,0.338,93,641,434.463,4.392,6,0.397,0.76,1.0,0.06408916455349188,0.09886231238434652,0.2714515797409362,0.2827856212733877,0.1792971694880406
EOS-2-21725,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)n1C,PYRGNCWXVHTNCX-UHFFFAOYSA-N,2,1,0.322,38,193,434.463,4.217,6,0.41,0.74,1.0,0.20809917072167775,0.10872284284833117,0.37551401548900004,0.3007504626139401,0.2482716229182373
EOS-2-21726,c1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)cn1,XFFRYIWDIXAMTD-UHFFFAOYSA-N,2,1,0.473,77,933,434.463,3.946,6,0.426,0.71,1.0,0.6079946542389144,0.3558100884106641,0.6707302446713728,0.5998732095127133,0.558602049208416
EOS-2-21727,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)cn5)n34)cc2)o1,FUKGGSLZLKFGPF-UHFFFAOYSA-N,2,1,0.293,38,303,434.463,4.217,6,0.41,0.67,1.0,0.1087142759235145,0.08953293125899527,0.4557432663970941,0.3677866493043657,0.2554442807209924
EOS-2-21728,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)n(C)n1,KICDDVUOKHMUEC-UHFFFAOYSA-N,2,1,0.333,9,98,434.463,4.217,6,0.41,0.77,1.0,0.14669145363580288,0.06515146323075868,0.3343071071208279,0.31940922486464257,0.21638981221300801
EOS-2-21729,Cc1c(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c(-c2ccccc2)nn1C,NHLRLAKYVHFRBH-UHFFFAOYSA-N,2,1,0.347,9,598,434.463,4.217,6,0.41,0.67,1.0,0.0756630799808101,0.06516003015557535,0.24270954698101568,0.2587725310122678,0.16057629703241724
EOS-2-21730,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)cn5)n34)cc2)o1,AMVPJBOOLIYHCV-UHFFFAOYSA-N,2,1,0.293,38,303,434.463,4.217,6,0.41,0.7,1.0,0.11109588102254815,0.10873140977314782,0.4413765334795422,0.3515266260023302,0.2531826125693921
EOS-2-21731,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccn(C)n6)cc5)n34)cc2)o1,DIJQJGOGLKLJRS-UHFFFAOYSA-N,2,1,0.329,9,894,434.463,4.217,6,0.41,0.76,1.0,0.11110444794736482,0.11787231855253238,0.39776231923788635,0.3416832293879789,0.24210557878144062
EOS-2-21732,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)cn2)ccn1,PXPCVIANGBSADD-UHFFFAOYSA-N,2,1,0.295,42,303,434.463,4.311,6,0.407,0.68,1.0,0.033016928243437736,0.0830306353231444,0.48341443355493113,0.3835069563429511,0.24574223836611608
EOS-2-21733,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc6ccccc6nn5)n34)cc2)cn1,SBFJCMXOPMJBIC-UHFFFAOYSA-N,2,1,0.478,77,755,434.463,3.714,6,0.408,0.67,1.0,0.3953293125899527,0.36521657185936535,0.46610067850044545,0.43723014186827497,0.41596917620450957
EOS-2-21734,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cn5)n34)cc2)o1,RIZLUOMYCAAITE-UHFFFAOYSA-N,2,1,0.297,38,714,434.463,4.217,6,0.41,0.75,1.0,0.13061990267973408,0.10204064149133027,0.5079329723802344,0.4086937153039545,0.2873218079638133
EOS-2-21735,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cn(C)nn6)c5)n34)cc2)o1,ZZOQREKJEIYLCB-UHFFFAOYSA-N,2,1,0.31,9,764,434.463,4.217,6,0.41,0.76,1.0,0.09383352751696251,0.07609999314646014,0.44839284490439313,0.3993214995545199,0.25441196628058393
EOS-2-21736,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5)n34)cc2)o1,DSNVCJYAFGCELT-UHFFFAOYSA-N,2,1,0.333,9,98,434.463,4.217,6,0.41,0.73,1.0,0.15796552669453773,0.07610856007127681,0.3565297100952642,0.31039681995750806,0.22525015420464667
EOS-2-21737,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)c1,LDCRWLXPRFILKQ-UHFFFAOYSA-N,2,1,0.5,40,763,434.463,3.946,6,0.426,0.65,1.0,0.4425245014049757,0.3750942361729833,0.5722448769789596,0.5130217257213351,0.4757213350695635
EOS-2-21738,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)cn1,YWDCYGBMFSMEIF-UHFFFAOYSA-N,2,1,0.482,9,722,434.463,4.374,6,0.432,0.68,1.0,0.4352854499348914,0.3361061613323281,0.6600301555753547,0.5878024124460284,0.5048060448221506
EOS-2-21739,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)no2)n1C,DAPIJHDGBKXWRI-UHFFFAOYSA-N,2,1,0.357,93,774,434.463,4.217,6,0.41,0.78,1.0,0.1384929065862518,0.09887087930916318,0.17694983208827358,0.2560910835446508,0.16760117538208485
EOS-2-21740,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)ns1,WNMXMVJUGQQISZ-UHFFFAOYSA-N,2,1,0.517,65,131,434.46,3.169,5,0.401,0.62,1.0,0.5518041943663903,0.5479576451237064,0.21099479130971147,0.21215989308477828,0.3807291309711466
EOS-2-21741,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)s1,LWRDQSVOUREVMR-UHFFFAOYSA-N,2,1,0.5,87,304,434.46,3.169,5,0.401,0.69,0.887,0.6331557124254678,0.7208039202247961,0.12734733739976697,0.1414484956480022,0.40568886642450824
EOS-2-21742,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)s1,UKYAAQLPUSTEPJ-UHFFFAOYSA-N,2,1,0.549,65,981,434.46,3.169,5,0.401,0.65,0.999,0.6964738537454596,0.7300990336508807,0.15774278664930436,0.16988211911452264,0.4385494482900418
EOS-2-21743,Cc1cc(F)nc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cn2)n1,GRLJLSOFLMUDNF-UHFFFAOYSA-N,2,1,0.516,65,981,434.46,3.169,5,0.376,0.63,1.0,0.6663953807141388,0.7441659241998492,0.14244225892673565,0.13012302104036735,0.42078164622027275
EOS-2-21744,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)s1,UJMNEUGCXLIMOV-UHFFFAOYSA-N,2,1,0.433,31,194,434.46,3.169,5,0.401,0.62,0.951,0.5207576588307861,0.4705383455554794,0.17695839901309027,0.17518504557604003,0.33585986224384895
EOS-2-21745,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)s5)n34)ncn2)c(C)n1,JDTYKBHBFXETMH-UHFFFAOYSA-N,2,1,0.396,31,395,434.46,3.435,5,0.414,0.6,0.997,0.5681927215406758,0.5066993352066342,0.21754848879446234,0.16989068603933932,0.365582807895278
EOS-2-21746,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccn2)s1,RYKHVUKDVRDPKN-UHFFFAOYSA-N,2,1,0.542,75,241,434.46,3.169,5,0.376,0.63,1.0,0.6694623397985059,0.5813258172846275,0.17696696593790692,0.1751936125008567,0.40073718388047425
EOS-2-21747,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cocc5OC)n34)nn2C)c(C)n1,XQFYIPRWHNEEHF-UHFFFAOYSA-N,2,1,0.419,92,569,434.46,2.897,5,0.385,0.58,0.723,0.0777362757864437,0.0044548009046672605,0.06781577684874238,0.02181139058323624,0.042954561030772394
EOS-2-21748,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)s1,MFKGYRVGBJNDAQ-UHFFFAOYSA-N,2,1,0.5,65,142,434.46,3.169,5,0.401,0.64,1.0,0.5709598382564595,0.5708570351586595,0.22459906791857995,0.22332259612089644,0.3974346343636488
EOS-2-21749,Cc1cc(F)nc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccn2)n1,XWNJEJMLZGVOFL-UHFFFAOYSA-N,2,1,0.518,7,43,434.46,3.435,5,0.388,0.63,1.0,0.4264700842985402,0.48816050990336507,0.11323761222671509,0.08931875813857858,0.27929674114179975
EOS-2-21750,NCc1ncc(COc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)nc1F,BPMYUZYSMKWGQH-UHFFFAOYSA-N,2,1,0.398,7,94,434.46,2.882,5,0.434,0.7,1.0,0.4239942430265232,0.24540812829826605,0.1801195942704407,0.2061716126379275,0.2639233945582894
EOS-2-21751,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)s1,YUHDBLQWJCHMGY-UHFFFAOYSA-N,2,1,0.5,87,142,434.46,3.169,5,0.376,0.59,1.0,0.5736155849496265,0.5523953121787403,0.217557055719279,0.20898156397779452,0.38813737920636004
EOS-2-21752,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ccn2)s1,LXUUFSCPDYBYCB-UHFFFAOYSA-N,2,1,0.505,58,241,434.46,3.169,5,0.376,0.64,0.994,0.6107874717291482,0.5913319854704955,0.11047906243574807,0.12162463162223289,0.35855578781440617
EOS-2-21753,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)s1,YWXRHFCOVYAEMN-UHFFFAOYSA-N,2,1,0.533,58,578,434.46,3.169,5,0.376,0.69,1.0,0.6787317524501405,0.7485179220067165,0.1737543691316565,0.16989925296415598,0.4427258241381674
EOS-2-21754,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)c2)s1,XVPGHMMTKLUCQB-UHFFFAOYSA-N,2,1,0.478,87,838,434.46,3.169,5,0.401,0.64,1.0,0.508095743951751,0.5067079021314509,0.19334692618737578,0.1809677198272908,0.3472795730244671
EOS-2-21755,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)s1,BXICVDXHEFKQCS-UHFFFAOYSA-N,2,1,0.484,87,838,434.46,3.169,5,0.401,0.58,1.0,0.5466383387019396,0.5383712562538551,0.16412514563772188,0.17802069769035708,0.35678885957096845
EOS-2-21756,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ncn2)s1,NAUKFBNZZBYWAB-UHFFFAOYSA-N,2,1,0.426,18,194,434.46,3.169,5,0.376,0.69,1.0,0.5709684051812761,0.5021417312041669,0.22126653416489617,0.19710780618189294,0.3728711191830581
EOS-2-21757,Cc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncc(F)cn5)c4)n23)sn1,YXIBJAOBMOBIMK-UHFFFAOYSA-N,2,1,0.528,65,491,434.46,3.169,5,0.401,0.61,1.0,0.5937992598176959,0.5429545610307724,0.13320711397436777,0.13670241929956822,0.3516658385306011
EOS-2-21758,N=c1[nH]c(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ccn2)cs1,XZDAJRXFCFYFOA-UHFFFAOYSA-N,2,1,0.484,11,278,434.46,2.878,5,0.397,0.58,0.895,0.6219501747652663,0.492726680830649,0.3009132341854568,0.2587810979370845,0.41859279692961415
EOS-2-21759,CCn1nc(C)cc1-c1ccc(-c2nnc3cncc(N4C(=O)OCC4C)n23)nc1OC,AESAWTHURCQQCK-UHFFFAOYSA-N,2,1,0.298,78,792,434.46,2.732,5,0.471,0.51,0.35,0.07774484271126036,0.012713316427935028,0.006742169830717566,0.0011993694743334933,0.024599924611061613
EOS-2-21760,Cc1nsc(COc2cncc3nnc(-c4cc(-c5cnc(C)c(F)c5)ccn4)n23)n1,XGFZPOKGMXGYIU-UHFFFAOYSA-N,2,1,0.419,7,544,434.46,3.435,5,0.414,0.65,1.0,0.3496676033171133,0.3892639298197519,0.15445308751970394,0.14869611404290317,0.26052018367486807
EOS-2-21761,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)s1,WKTURYPSOKUTPS-UHFFFAOYSA-N,2,1,0.484,87,838,434.46,3.169,5,0.401,0.62,1.0,0.5181190459872524,0.5338736207251045,0.13321568089918442,0.14870468096771983,0.33347825714481527
EOS-2-21762,Cc1csc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)nc(C)n4)n23)n1,XGKJMELEBIVWQA-UHFFFAOYSA-N,2,1,0.409,46,500,434.46,3.435,5,0.388,0.68,1.0,0.40585806318963746,0.43093345212802414,0.13952950448906862,0.1192772942224659,0.273899578507299
EOS-2-21763,Cc1nc(-c2nnc3cncc(OCc4ccnc(CF)n4)n23)ccc1-c1cncs1,GATBTQNLRMGCSO-UHFFFAOYSA-N,2,1,0.406,7,690,434.46,3.457,5,0.4,0.63,1.0,0.4015917346309369,0.37510280309780003,0.12205297786306628,0.09707182509766295,0.24895483517236652
EOS-2-21764,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)s1,VSSVKSMHALLGTE-UHFFFAOYSA-N,2,1,0.5,87,142,434.46,3.169,5,0.376,0.66,1.0,0.5568586800082242,0.5570985539030909,0.20739668288671098,0.20009766294291,0.38036289493523406
EOS-2-21765,Cc1nc(-c2nccs2)cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)n1,HWFYGPKBWCOZCM-UHFFFAOYSA-N,2,1,0.446,18,330,434.46,3.169,5,0.376,0.6,1.0,0.6165187444314989,0.4927352477554657,0.13638544308135153,0.13246179151531767,0.3445253066959085
EOS-2-21766,COCc1ncc(-c2ccc(-c3nnc4cncc(N5CCCC5COO)n34)cn2)cn1,SVYSHAVYCCIILX-UHFFFAOYSA-N,2,1,0.333,78,548,434.46,2.248,5,0.342,0.65,1.0,0.06409773147830855,0.009843396614351312,0.011077033787951477,0.0279967103008704,0.028253718045370434
EOS-2-21767,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)s1,PQIIGXNSQMHTDN-UHFFFAOYSA-N,2,1,0.489,58,954,434.46,3.169,5,0.376,0.67,0.998,0.6107960386539648,0.7117229799191283,0.11048762936056473,0.11928586114728257,0.38807312727023513
EOS-2-21768,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)n5)n34)ccn2)cs1,NLZNFTIXYPFSIT-UHFFFAOYSA-N,2,1,0.478,75,819,434.46,3.169,5,0.401,0.78,1.0,0.602434720032897,0.5429631279555891,0.1515917346309369,0.14145706257281887,0.35961166129806044
EOS-2-21769,c1ccc2c(CCOc3cncc4nnc(-c5ccnc(-c6cnco6)c5)n34)cccc2c1,URQGFHHHMHHHGG-UHFFFAOYSA-N,2,1,0.575,28,891,434.459,4.616,6,0.378,0.74,1.0,0.6601586594476047,0.3409893084778288,0.6127835652114317,0.6123723528202316,0.5565759714892742
EOS-2-21770,N#Cc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)nc1,CMERXDJVCJDFJO-UHFFFAOYSA-N,2,1,0.535,1,347,434.459,3.796,5,0.433,0.67,1.0,0.7484151189089164,0.6102134877664314,0.859990747721198,0.8047512165033239,0.7558426427249674
EOS-2-21771,COc1cccnc1COc1cncc2nnc(-c3ccc(-c4ccc(C#N)cc4)cc3)n12,IPAYJVUAJBHNHB-UHFFFAOYSA-N,2,1,0.548,1,347,434.459,4.313,5,0.393,0.76,1.0,0.6997121513261599,0.6971763415804263,0.7940254266328559,0.704483928449044,0.7238494619971215
EOS-2-21772,COc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)cc2)cn1,CSAKPBXILSPLRE-UHFFFAOYSA-N,2,1,0.544,1,230,434.459,4.313,5,0.393,0.85,1.0,0.9234545267630732,0.8038345555479405,0.8643084778287986,0.7656603385648687,0.8393144746761702
EOS-2-21773,COc1nc(-c2nnc3cncc(OCc4ccc(C#N)cc4)n23)ccc1-c1ccccc1,QPIIFTXZFZBULB-UHFFFAOYSA-N,2,1,0.453,79,347,434.459,4.313,5,0.393,0.78,1.0,0.6108046055787815,0.47054691248029606,0.7314954423959975,0.65024672743472,0.6157734219724488
EOS-2-21774,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccs5)n4)n23)cc1,MKDYIVLAUOOLDR-UHFFFAOYSA-N,2,1,0.523,81,609,465.542,4.894,6,0.348,0.65,1.0,0.42883455554794053,0.35089267356589676,0.47626961825783015,0.40870228222877114,0.41617478240010963
EOS-2-21775,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cc2)cs1,LNYWGXRMMQYCHJ-UHFFFAOYSA-N,2,1,0.523,40,932,465.542,4.988,6,0.345,0.65,1.0,0.3749657323007333,0.36053903090946476,0.507941539305051,0.42461962853813995,0.41701648276334724
EOS-2-21776,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)s1,CBLMUJUOIWXQCV-UHFFFAOYSA-N,2,1,0.5,77,603,465.542,4.988,6,0.345,0.67,1.0,0.44253306832979233,0.3751113700226167,0.48717531354944826,0.4402542663285587,0.436268504557604
EOS-2-21777,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncs6)cc5)n34)cc2)n[nH]1,DMMPVVARSGHGPC-UHFFFAOYSA-N,2,1,0.5,77,190,465.542,5.192,6,0.364,0.65,1.0,0.6509149475704201,0.497652662600233,0.6486961140429032,0.5722791446782263,0.5923857172229456
EOS-2-21778,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)c2)cn1,AJFRIXYIVDAUTI-UHFFFAOYSA-N,2,1,0.518,77,190,465.542,4.894,6,0.348,0.74,1.0,0.5030412583099171,0.37966040710026727,0.6127921321362484,0.5259834829689535,0.5053693201288465
EOS-2-21779,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cc5)n34)cc2)cn1,NYLNJKATKOMXJO-UHFFFAOYSA-N,2,1,0.524,77,190,465.542,4.894,6,0.348,0.72,1.0,0.5207662257556027,0.370202522102666,0.6736001644849565,0.587810979370845,0.5380949729285176
EOS-2-21780,Cn1nc(-c2cccs2)nc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,SQNSQJIERNRHHY-UHFFFAOYSA-N,2,1,0.465,12,285,465.542,4.894,6,0.348,0.7,0.998,0.46815674045644573,0.4976612295250497,0.20034610376259337,0.2708604619285861,0.35925613391816874
EOS-2-21781,Cc1cccc(-c2nc(C)sc2-c2nnc3cncc(OCc4ccc5ccccc5n4)n23)n1,UYQBDCFAZQXUNQ-UHFFFAOYSA-N,2,1,0.453,28,891,465.542,5.054,6,0.352,0.74,0.637,0.28658076896717155,0.22496744568569665,0.16099821807963813,0.17802926461517374,0.21264392433692003
EOS-2-21782,Cc1sc(-c2ccccc2)nc1COc1cncc2nnc(-c3ccc(-c4c[nH]cn4)cc3)n12,VGDOAURCNRVLFA-UHFFFAOYSA-N,2,1,0.472,12,285,465.542,5.192,6,0.364,0.62,1.0,0.4706497155780961,0.4129514769378384,0.3156911794942088,0.3104053868823247,0.377424439723117
EOS-2-21783,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccs6)n5)n34)cc2)n1,AFMOAULRHNOTHS-UHFFFAOYSA-N,2,1,0.517,81,609,465.542,4.894,6,0.348,0.66,1.0,0.4330580494825577,0.39873038174216985,0.4590672332259612,0.39313617983688576,0.42099796107189363
EOS-2-21784,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2F)cn1,WAAIHKJMOLHNNW-UHFFFAOYSA-N,2,1,0.524,97,91,434.456,4.037,5,0.399,0.75,1.0,0.8082122541292578,0.7208124871496128,0.6541703790007539,0.5394935234048386,0.6806721609211157
EOS-2-21785,COc1cc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)ccc1-c1nccs1,YBLJALWBMZKNTM-UHFFFAOYSA-N,2,1,0.477,97,383,434.456,4.037,5,0.373,0.7,1.0,0.8312829826605441,0.7485264889315332,0.6274587074223836,0.48685833733123157,0.6735316290864232
EOS-2-21786,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)cn2)cc1F,DNDJLJBXUMFOKA-UHFFFAOYSA-N,2,1,0.46,55,879,434.456,4.037,5,0.399,0.72,1.0,0.7540949900623672,0.7529641559865671,0.5782931258995271,0.4498235213487766,0.6337939483243095
EOS-2-21787,COc1cccc(-c2nnc3cncc(OCc4nnc(-c5ccccc5F)s4)n23)c1,OYIQZZRVONTRKM-UHFFFAOYSA-N,2,1,0.484,1,372,434.456,4.037,5,0.399,0.8,1.0,0.6418597080392022,0.7441744911246659,0.3865824823521349,0.38674525392365156,0.5398404838599136
EOS-2-21788,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)c(F)c2)cc1=O,VXSJWZMIEUWDBQ-UHFFFAOYSA-N,2,1,0.466,16,605,434.456,3.332,5,0.422,0.69,1.0,0.5207747926804195,0.5107943252690015,0.5813857857583442,0.54951682544034,0.5406179322870264
EOS-2-21789,COc1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1-c1nccs1,YOINIHVNKSPHCK-UHFFFAOYSA-N,2,1,0.483,97,383,434.456,4.037,5,0.399,0.73,1.0,0.8725070248783496,0.7254214927009801,0.639803646083202,0.5130302926461517,0.6876906140771709
EOS-2-21790,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ccc2F)cc1=O,IVPDMPAXRNJNBN-UHFFFAOYSA-N,2,1,0.512,16,605,434.456,3.332,5,0.422,0.71,1.0,0.5908094030566787,0.5293674182715372,0.6039510657254472,0.5722877116030429,0.5741038996641765
EOS-2-21791,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ccc(F)cn1,GSZIYYWEGAQWSX-UHFFFAOYSA-N,2,1,0.494,97,383,434.456,4.037,5,0.399,0.69,1.0,0.8725155918031663,0.7117315468439449,0.5878452470701118,0.49610204920841616,0.6670486087314097
EOS-2-21792,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)s5)n34)cn2)cn1,KWJNZPSTWRYYCT-UHFFFAOYSA-N,2,1,0.466,4,390,434.456,4.037,5,0.399,0.68,1.0,0.742289767664999,0.7529727229113837,0.5813943526831609,0.44983208827359333,0.6316222328832843
EOS-2-21793,COc1cc(-c2nnc3cncc(OCc4cnncc4F)n23)ccc1-c1ccsc1,HSORYWYAIIOOMO-UHFFFAOYSA-N,2,1,0.488,16,103,434.456,4.037,5,0.399,0.6,1.0,0.85019018573093,0.7395483517236653,0.7185336851483791,0.6211962853813995,0.7323671269960934
EOS-2-21794,OCc1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(F)cn5)n4)n23)cc1,RBJKORAAVJXMBE-UHFFFAOYSA-N,2,1,0.517,1,268,434.456,3.52,5,0.437,0.77,1.0,0.7716743197861695,0.7117401137687616,0.5215886505380029,0.4868669042560482,0.6229674970872455
EOS-2-21795,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(C)n(C)n6)nc5)n34)cc2)s1,SXUWJIWITQUKGC-UHFFFAOYSA-N,2,1,0.289,38,424,465.546,4.389,6,0.381,0.68,1.0,0.05194983208827359,0.08643170447536153,0.1672092385717223,0.13451785347131792,0.11002715715166883
EOS-2-21796,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncc(C)n6)s5)n34)nc2)cn1,XFUIUTZZCOTIMI-UHFFFAOYSA-N,2,1,0.238,70,652,465.546,4.564,6,0.368,0.67,1.0,0.03166335412240422,0.03859399629908848,0.189911589335892,0.1619662805839216,0.10553380508532657
EOS-2-21797,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)c(C)n6)cn5)n34)cn2)cs1,STCHRIUTEBNHQC-UHFFFAOYSA-N,2,1,0.321,70,968,465.546,4.389,6,0.381,0.73,0.992,0.1440785415667192,0.13888698512781852,0.18335789185114112,0.130131587965184,0.1491137516277157
EOS-2-21798,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)s2)nnc1C,DFTDZMXBZVXOAF-UHFFFAOYSA-N,2,1,0.292,98,865,465.546,4.389,6,0.381,0.63,1.0,0.12482009457884997,0.08954149818381194,0.17376293605647317,0.1537934343088205,0.1354794907819889
EOS-2-21799,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)n6C)s5)n34)cc2)nn1,BZSVBFVVAJVPJW-UHFFFAOYSA-N,2,1,0.303,98,193,465.546,4.389,6,0.381,0.7,0.998,0.11938009732026592,0.10533890754574737,0.102537523130697,0.10755774107326434,0.10870356726749365
EOS-2-21800,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ncn(C)n6)ccc5C)n34)cc2)s1,NLDPEIXDIWWZSJ-UHFFFAOYSA-N,2,1,0.309,9,598,465.546,4.389,6,0.381,0.64,1.0,0.08906175039407854,0.10204920841614694,0.20035467068741006,0.17257213350695635,0.14100944075114796
EOS-2-21801,COc1cc(F)ccc1-c1nnc2cncc(-c3cc(-c4nnn(C)n4)nn3C(C)C)n12,LBSKHZOFMFAPJU-UHFFFAOYSA-N,2,1,0.344,36,985,434.439,2.574,5,0.415,0.6,0.976,0.22445343019669659,0.3265369063121102,0.06577684874237544,0.044333835926255914,0.16527525529435955
EOS-2-21802,CCn1cnnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)nn1C,KSCZSBIERWPHSP-UHFFFAOYSA-N,2,1,0.412,31,569,434.439,1.959,5,0.357,0.53,1.0,0.2782965526694538,0.15006682201357002,0.03920224796107189,0.04575594544582277,0.12833039202247962
EOS-2-21803,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-n5cccn5)nc4)n23)nc1,JBGKIIFJRIJZJX-UHFFFAOYSA-N,2,1,0.359,32,20,434.438,4.24,6,0.413,0.7,1.0,0.015823110136385442,0.15007538893838668,0.6458861627030361,0.6851312452881914,0.3742289767664999
EOS-2-21804,Fc1ccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)ccn2)cc1,FBLVMCSJWLXJCE-UHFFFAOYSA-N,2,1,0.354,69,834,434.438,4.445,6,0.44,0.73,1.0,0.3054280035638407,0.36522513878418206,0.7417757521759989,0.7680505105887191,0.5451198512781852
EOS-2-21805,Fc1cnc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,CBXMWNSRYQJTAW-UHFFFAOYSA-N,2,1,0.329,9,834,434.438,4.445,6,0.44,0.77,1.0,0.33566068124186144,0.3220992392570763,0.6099736138715647,0.6644849564800219,0.48305462271263105
EOS-2-21806,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,ORZQZPSBTUOJFS-UHFFFAOYSA-N,2,1,0.36,93,689,434.438,4.24,6,0.413,0.74,1.0,0.07998937701322734,0.317130422863409,0.46262250702487834,0.6239120005482832,0.37091357686244947
EOS-2-21807,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)cc2)cn1,BUEGITNKMATSQQ-UHFFFAOYSA-N,2,1,0.329,69,98,434.438,4.445,6,0.412,0.67,1.0,0.21094338976081145,0.2709461311767528,0.8129840312521417,0.8216794599410595,0.5291382530326914
EOS-2-21808,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,AMKFQFSGFLHNHV-UHFFFAOYSA-N,2,1,0.333,9,834,434.438,4.445,6,0.44,0.72,1.0,0.3077753409636077,0.379668974025084,0.7744757042012199,0.7893136179836886,0.5628084092934
EOS-2-21809,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)cc1,ZBOSFANMRYLRKC-UHFFFAOYSA-N,2,1,0.354,93,74,434.438,4.445,6,0.44,0.71,1.0,0.2975721335069563,0.4309420190528408,0.7105750119936948,0.7550887533411007,0.5485444794736481
EOS-2-21810,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)nc1,ZUOORKCDOOXBHV-UHFFFAOYSA-N,2,1,0.365,93,774,434.438,4.24,6,0.413,0.85,1.0,0.036932012884654926,0.17407991227468989,0.5619131656500582,0.629694674799534,0.35065494140223424
EOS-2-21811,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cc1,MBWZBIUFDAVUEU-UHFFFAOYSA-N,2,1,0.351,42,673,434.438,4.24,6,0.413,0.72,0.816,0.01665410184360222,0.17832910698375712,0.7080220683983277,0.7371153450757316,0.41003015557535466
EOS-2-21812,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)n1,KKVHCGBLTSNCME-UHFFFAOYSA-N,2,1,0.321,30,945,434.438,4.24,6,0.386,0.77,0.999,0.013484339661435132,0.15412754437667056,0.5878538139949284,0.6326930984853677,0.3470396991296004
EOS-2-21813,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)c1,NZERQYSSHTYNPS-UHFFFAOYSA-N,2,1,0.291,30,298,434.438,4.24,6,0.413,0.77,1.0,0.00477177712288397,0.1087399766979645,0.5878623809197451,0.690656911794942,0.3480077616338839
EOS-2-21814,Fc1ccc(-c2cncnc2)cc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,YIIWGBSYSZPIFC-UHFFFAOYSA-N,2,1,0.317,9,171,434.438,4.445,6,0.44,0.78,1.0,0.2921235693235556,0.3938386676718525,0.8275135357412103,0.8296552669453773,0.5857827599204989
EOS-2-21815,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,DVWBLIAOHXQDNH-UHFFFAOYSA-N,2,1,0.372,9,834,434.438,4.445,6,0.44,0.69,1.0,0.26765643204715234,0.4034507573161538,0.689783085463642,0.7262696182578302,0.5217899732711946
EOS-2-21816,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccn[nH]6)n5)n34)cc2)cc1,DCXVHXHCTUJNFI-UHFFFAOYSA-N,2,1,0.392,3,594,434.438,4.445,6,0.44,0.61,1.0,0.28937358645740524,0.3987389486669865,0.7467445685696662,0.7914724830374888,0.5565823966828867
EOS-2-21817,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c1,BMFYSOAEBADXBB-UHFFFAOYSA-N,2,1,0.366,69,834,434.438,4.445,6,0.44,0.76,1.0,0.22446199712151327,0.3509012404907135,0.7185422520731958,0.752655746693167,0.5116403090946474
EOS-2-21818,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]cn6)cn5)n34)cc2)nc1,SHMOGNCAOJKJNM-UHFFFAOYSA-N,2,1,0.329,38,479,434.438,4.445,6,0.44,0.67,1.0,0.3183040915632924,0.32210780618189294,0.7213265026386129,0.7262781851826469,0.5220041463916113
EOS-2-21819,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nn1,QKOKZTAZWMZUNO-UHFFFAOYSA-N,2,1,0.306,30,737,434.438,4.24,6,0.413,0.76,1.0,0.006142485093550819,0.1249485984511,0.5619217325748749,0.6730690151463231,0.34152045781646223
EOS-2-21820,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)ccn1,YRBDNRPQWQMFPF-UHFFFAOYSA-N,2,1,0.297,30,195,434.438,4.24,6,0.386,0.71,0.991,0.009612089644301281,0.13889555205263518,0.6764272496744569,0.6936810362552258,0.3796539819066548
EOS-2-21821,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)c1,OHJDRPXSCJYFFG-UHFFFAOYSA-N,2,1,0.333,32,673,434.438,4.24,6,0.413,0.69,0.989,0.010297443629634707,0.18242409704612433,0.6398122130080186,0.6761274073058735,0.37716529024741274
EOS-2-21822,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)ccc1-c1nc[nH]n1,SHIIODUKDOJFEX-UHFFFAOYSA-N,2,1,0.329,30,220,434.438,4.445,6,0.44,0.73,1.0,0.29502775683640603,0.3605475978342814,0.6842488520320745,0.7262867521074635,0.5165277397025564
EOS-2-21823,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cn1,HJOHKPNAQDOEGW-UHFFFAOYSA-N,2,1,0.329,9,834,434.438,4.445,6,0.412,0.7,1.0,0.24646186005071619,0.31207593722157495,0.776797340826537,0.777645466383387,0.5282451511205538
EOS-2-21824,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1,UCNOSADFOLDAMR-UHFFFAOYSA-N,2,1,0.373,93,689,434.438,4.24,6,0.413,0.81,1.0,0.048737235282023166,0.28109793708450415,0.5184702899047358,0.6615379343430882,0.3774608491535878
EOS-2-21825,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)ccc1-c1nc[nH]n1,JWRXOTPWONEOLN-UHFFFAOYSA-N,2,1,0.321,9,834,434.438,4.445,6,0.44,0.7,1.0,0.2893821533822219,0.3702110890274827,0.7652833938729354,0.7868035090124049,0.5529200363237613
EOS-2-21826,Cc1nc2cc(F)ccc2nc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,ZEWPCHMZTIPGDW-UHFFFAOYSA-N,2,1,0.371,32,693,434.438,4.306,6,0.41,0.77,1.0,0.30015077787677336,0.39874751559180316,0.4484014118292098,0.5227708861627031,0.41751764786512235
EOS-2-21827,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,FKMQDQRTFUEVHG-UHFFFAOYSA-N,2,1,0.333,9,556,434.438,4.445,6,0.44,0.72,1.0,0.2839078884243712,0.31713898978822563,0.7417843191008155,0.757761633883901,0.5251482077993284
EOS-2-21828,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)c1,FUAIQEONSOWBCB-UHFFFAOYSA-N,2,1,0.333,3,150,434.438,4.24,6,0.413,0.76,1.0,0.01583167706120211,0.204792337742444,0.7768059077513536,0.7961842916866562,0.44840355356041395
EOS-2-21829,Fc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)c1,QHYWOAMIIXUQOB-UHFFFAOYSA-N,2,1,0.314,30,298,434.438,4.24,6,0.413,0.75,1.0,0.022513878418203,0.20015763141662668,0.5386796655472551,0.6327016654101844,0.34851321019806725
EOS-2-21830,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)n1,VEHNFHWBVDTKTO-UHFFFAOYSA-N,2,1,0.375,93,991,434.438,4.24,6,0.386,0.74,1.0,0.030352614625454046,0.17408847919950654,0.5686981701048591,0.6615465012679048,0.3586714412994311
EOS-2-21831,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nn1,DCQPYXAEQNPRGI-UHFFFAOYSA-N,2,1,0.306,30,783,434.438,4.24,6,0.413,0.72,1.0,0.023559043245836474,0.182432663970941,0.607052292509081,0.6822441916249743,0.3738220478377082
EOS-2-21832,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cn1,KSZWCSNVBGBLNQ-UHFFFAOYSA-N,2,1,0.35,42,150,434.438,4.24,6,0.413,0.75,1.0,0.01767356589678569,0.24045644575423206,0.7605544513741347,0.7822030703858543,0.4502218833527517
EOS-2-21833,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cc1,XFQLGFBLSYTHII-UHFFFAOYSA-N,2,1,0.35,3,150,434.438,4.24,6,0.413,0.79,1.0,0.019464053183469263,0.20480090466726064,0.7876944691933384,0.8047597834281406,0.45417980261805224
EOS-2-21834,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)ccc1-c1cccnc1,PUAWAPFYGBMWTQ-UHFFFAOYSA-N,2,1,0.32,32,299,434.438,4.445,6,0.44,0.69,1.0,0.24647042697553287,0.3409978754026455,0.7537694469193338,0.7727366184634363,0.5284935919402372
EOS-2-21835,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cc1,MIEGTUSEKLVRTM-UHFFFAOYSA-N,2,1,0.327,30,298,434.438,4.24,6,0.413,0.78,0.963,0.030361181550270715,0.1867932287026249,0.5351072578987047,0.6297032417243507,0.34549122746898775
EOS-2-21836,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc1,FZAVECZRJMINRP-UHFFFAOYSA-N,2,1,0.301,30,298,434.438,4.24,6,0.413,0.77,0.532,0.01768213282160236,0.13510040435885134,0.5285706942635872,0.6358885614419848,0.32931044822150646
EOS-2-21837,Fc1ccc(-c2cncc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)c2)nc1,LQWKHFVWZWTTQR-UHFFFAOYSA-N,2,1,0.279,10,195,434.438,4.24,6,0.413,0.68,0.962,0.020483517236652732,0.1212476869302995,0.667937427181139,0.7019309848536769,0.37789990405044205
EOS-2-21838,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]cn6)cc5)n34)cn2)cn1,PZIUAVAGNJKUFX-UHFFFAOYSA-N,2,1,0.321,9,57,434.438,4.445,6,0.412,0.67,1.0,0.24647899390034952,0.27617195531492017,0.7676821328216024,0.7577702008087177,0.5120258207113975
EOS-2-21839,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nn1,LLBSEZZZKLSDAX-UHFFFAOYSA-N,2,1,0.321,30,298,434.438,4.24,6,0.413,0.74,1.0,0.01666266876841889,0.17409704612432322,0.5687067370296758,0.6672520731958056,0.3566796312795559
EOS-2-21840,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)ccn1,RMQMJRKRXXCWRW-UHFFFAOYSA-N,2,1,0.284,30,195,434.438,4.24,6,0.386,0.79,0.954,0.00711911452265095,0.11489102871633199,0.6707388115961894,0.6963282160235762,0.3722692927146871
EOS-2-21841,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,PMXSMMRJFYZVRY-UHFFFAOYSA-N,2,1,0.341,3,289,434.438,4.24,6,0.413,0.77,1.0,0.03840552395312179,0.19548865739154273,0.5753975053114934,0.6444383524090193,0.36343250976629426
EOS-2-21842,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)c2)cn1,KXHAKLVBJGFFMF-UHFFFAOYSA-N,2,1,0.312,9,57,434.438,4.445,6,0.412,0.66,1.0,0.24922040984168323,0.3312230141868275,0.802737989171407,0.8026351860736071,0.5464541498183813
EOS-2-21843,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cc1,JPGDBFYLHTXQCJ-UHFFFAOYSA-N,2,1,0.346,3,991,434.438,4.24,6,0.413,0.72,1.0,0.011805222397368241,0.18244123089575767,0.6842574189568912,0.7500514015489,0.4071388184497293
EOS-2-21844,Fc1cc(-c2cccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)c2)ccn1,LTDAJBMHPBEKEX-UHFFFAOYSA-N,2,1,0.325,30,298,434.438,4.24,6,0.386,0.75,1.0,0.005645603454184086,0.10874854362278116,0.6487046809677198,0.7073881159618943,0.3676217360016448
EOS-2-21845,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)cn1,OJJILKTVBNYFBV-UHFFFAOYSA-N,2,1,0.368,93,991,434.438,4.24,6,0.386,0.75,1.0,0.010974230690151464,0.15781988897265437,0.657288739634021,0.7235881707902131,0.38741775752176
EOS-2-21846,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1,ZAANDLQXULRWDW-UHFFFAOYSA-N,2,1,0.322,3,289,434.438,4.24,6,0.413,0.74,0.999,0.03419059694332122,0.20016619834144336,0.5585720649715578,0.6358971283668015,0.35720649715578096
EOS-2-21847,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,YEAKNQASZOKKGI-UHFFFAOYSA-N,2,1,0.312,9,834,434.438,4.445,6,0.44,0.69,1.0,0.27830511959427046,0.3120845041463916,0.7722911383729696,0.7868120759372216,0.5373732095127133
EOS-2-21848,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,SXYDDWUZASMPRR-UHFFFAOYSA-N,2,1,0.355,93,689,434.438,4.24,6,0.413,0.77,1.0,0.05348331163045713,0.2865379343430882,0.4970529778630663,0.6502552943595367,0.37183237954903703
EOS-2-21849,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)c1,WNZSHWGRXQJGIK-UHFFFAOYSA-N,2,1,0.317,30,298,434.438,4.24,6,0.413,0.74,1.0,0.016671235693235555,0.15782845589747105,0.5942875745322459,0.685139812213008,0.36348176958399014
EOS-2-21850,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)nc5)n34)cc2)cn1,FOUVESLDAIDABI-UHFFFAOYSA-N,2,1,0.312,69,57,434.438,4.445,6,0.412,0.66,1.0,0.2051864162840107,0.34100644232746213,0.7605630182989515,0.7603574121033514,0.5167783222534439
EOS-2-21851,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,CCXSTFZWDUVRFK-UHFFFAOYSA-N,2,1,0.321,69,834,434.438,4.445,6,0.44,0.69,1.0,0.2865893358919882,0.3558186553354808,0.7262781851826469,0.742469673086149,0.5277889623740661
EOS-2-21852,Fc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)c1,JXJCKQQHEVXYOH-UHFFFAOYSA-N,2,1,0.305,9,834,434.438,4.445,6,0.44,0.61,1.0,0.28659790281680486,0.2811065040093208,0.7605715852237681,0.782211637310671,0.5276219073401412
EOS-2-21853,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1,PXLCMGAKKLZMKI-UHFFFAOYSA-N,2,1,0.329,3,150,434.438,4.24,6,0.413,0.73,1.0,0.03036974847508738,0.21965595229936263,0.6541789459255706,0.6730775820711398,0.39432055719279013
EOS-2-21854,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)nc1,NAJJZGJPOVOEFB-UHFFFAOYSA-N,2,1,0.342,3,668,434.438,4.24,6,0.413,0.76,1.0,0.042877458707422385,0.15413611130148722,0.6070608594338976,0.6267476526626002,0.35770552052635185
EOS-2-21855,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cc5)n34)cc2)nc1,PLCPHKIRFUKRJZ-UHFFFAOYSA-N,2,1,0.338,69,152,434.438,4.445,6,0.44,0.67,1.0,0.27537523130697006,0.2919350969775889,0.7744842711260366,0.7914810499623055,0.5333189123432253
EOS-2-21856,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)nc3)n12,RJHANMFSJPTACE-UHFFFAOYSA-N,2,1,0.35,93,651,434.438,4.445,6,0.44,0.76,1.0,0.2921321362483723,0.41296004386265506,0.6817901446096909,0.7344510314577479,0.5303333390446165
EOS-2-21857,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)nc1,LSDQBFDNSQVYOG-UHFFFAOYSA-N,2,1,0.284,30,195,434.438,4.24,6,0.413,0.81,0.99,0.01947262010828593,0.11788088547734905,0.6189517510794326,0.6557723939414708,0.3530194126516346
EOS-2-21858,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cc1,CTVAVAXYUQMGFN-UHFFFAOYSA-N,2,1,0.382,9,834,434.438,4.445,6,0.44,0.67,1.0,0.2624734425330683,0.3892724967445686,0.744251593448016,0.7629960249468851,0.5397483894181345
EOS-2-21859,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)c1,BGSVJRZOOUDRRI-UHFFFAOYSA-N,2,1,0.291,30,298,434.438,4.24,6,0.413,0.76,0.332,0.011813789322184909,0.142587896648619,0.5112826399835515,0.6267562195874169,0.32311013638544306
EOS-2-21860,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)nc2)c1,QBAIQLQLUVRYFP-UHFFFAOYSA-N,2,1,0.31,30,298,434.438,4.24,6,0.413,0.81,0.999,0.002921321362483723,0.10534747447056404,0.584718319512028,0.6851483791378247,0.3445338736207251
EOS-2-21861,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1,ROLVRNXUZFKBCT-UHFFFAOYSA-N,2,1,0.375,69,152,434.438,4.445,6,0.44,0.68,1.0,0.16873415118908916,0.28111507093413746,0.7030960866287438,0.7577787677335344,0.4776810191213762
EOS-2-21862,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)n2)cc1,SVZNEWATQCFLAS-UHFFFAOYSA-N,2,1,0.324,30,298,434.438,4.24,6,0.413,0.65,0.997,0.033025495168254405,0.19087108491535879,0.462631073949695,0.5818055650743609,0.31708330477691726
EOS-2-21863,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)nc1,QOGMGMQCGVHLDX-UHFFFAOYSA-N,2,1,0.333,30,298,434.438,4.24,6,0.413,0.76,1.0,0.0534918785552738,0.1578370228222877,0.6099821807963813,0.6730861489959564,0.37359930779247486
EOS-2-21864,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,IPPUCPZKGXHVLG-UHFFFAOYSA-N,2,1,0.325,30,298,434.438,4.24,6,0.413,0.67,1.0,0.010982797614968131,0.1617778082379549,0.5386882324720719,0.6444469193338359,0.33897393941470766
EOS-2-21865,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,HYXFMLTVMICTAD-UHFFFAOYSA-N,2,1,0.329,69,834,434.438,4.445,6,0.44,0.71,1.0,0.27045781646220274,0.37967754094990064,0.7157408676581455,0.7344595983825646,0.5250839558632033
EOS-2-21866,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)c1,SHSVMPNGHDMGEI-UHFFFAOYSA-N,2,1,0.337,3,50,434.438,4.24,6,0.413,0.72,1.0,0.023567610170653144,0.2048094715920773,0.7289424988006306,0.7500599684737167,0.4268448872592694
EOS-2-21867,Fc1ccc(-n2nnnc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,YATROIXYGFFYDC-UHFFFAOYSA-N,2,1,0.377,93,689,434.438,4.24,6,0.413,0.75,1.0,0.04713522034130629,0.26569460626413544,0.5585806318963745,0.7156894661092454,0.39677498115276544
EOS-2-21868,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)c1,JVPRQUCLLDUFPG-UHFFFAOYSA-N,2,1,0.37,93,834,434.438,4.445,6,0.44,0.77,1.0,0.28391645534918786,0.4220581180179563,0.7131365225138784,0.757787334658351,0.5442246076348434
EOS-2-21869,Fc1cc(-c2nc[nH]n2)cnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,JVQGPLBIRKBLBN-UHFFFAOYSA-N,2,1,0.355,93,651,434.438,4.445,6,0.44,0.72,1.0,0.2950363237612227,0.41762045096292233,0.6274672743472003,0.6963367829483929,0.5091152080049346
EOS-2-21870,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cn1,ODFFMGSEKRNKRJ-UHFFFAOYSA-N,2,1,0.321,3,50,434.438,4.24,6,0.413,0.71,1.0,0.02569220752518676,0.23479370845041464,0.7105835789185114,0.7344681653073812,0.4263844150503735
EOS-2-21871,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)ccc1-c1ccccn1,QIYHYHLYDVEGEK-UHFFFAOYSA-N,2,1,0.337,69,834,434.438,4.445,6,0.44,0.7,1.0,0.2866064697416216,0.3312315811116442,0.7262867521074635,0.7424782400109656,0.5216507607429237
EOS-2-21872,CC(C)(O)c1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cscn5)n34)c2)s1,IFZGLLMEDMMPLG-UHFFFAOYSA-N,2,1,0.5,18,367,465.564,3.615,5,0.388,0.6,1.0,0.41248886299773835,0.2348022753752313,0.10003598108423001,0.03702624905763827,0.19608834212870946
EOS-2-21873,Fc1cc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)ccc1-c1ccccc1,UMTLWYDCOAONTH-UHFFFAOYSA-N,2,1,0.373,93,107,434.434,5.314,6,0.374,0.78,1.0,0.32556884380782675,0.4705554794051127,0.695274484271126,0.7776540333082037,0.5672632101980674
EOS-2-21874,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cc2)cc1,PRFJTQXVODUMBB-UHFFFAOYSA-N,2,1,0.414,93,107,434.434,5.314,6,0.374,0.85,1.0,0.3380337194160784,0.5429716948804058,0.7289510657254472,0.8005362894935234,0.6026231923788637
EOS-2-21875,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)ccc1-c1ccnnc1,KDLAKJUUYGBRRG-UHFFFAOYSA-N,2,1,0.338,69,152,434.434,5.314,6,0.374,0.69,1.0,0.370253923651566,0.3652337057089987,0.8948923994243027,0.8984476732232198,0.6322069255020218
EOS-2-21876,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)no2)cc1,UGOVEAIOTLUCNI-UHFFFAOYSA-N,2,1,0.414,93,107,434.434,5.314,6,0.374,0.88,1.0,0.2866150366664382,0.4619371530395449,0.7105921458433281,0.7983945582893565,0.564384723459667
EOS-2-21877,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,MYBMNOUMAXBOBM-UHFFFAOYSA-N,2,1,0.386,21,538,434.434,5.314,6,0.374,0.78,1.0,0.3953378795147694,0.4927438146802824,0.8491878555273799,0.8689945857035158,0.6515660338564868
EOS-2-21878,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1,KTPUHMFRRYMPAC-UHFFFAOYSA-N,2,1,0.39,69,30,434.434,5.314,6,0.374,0.76,1.0,0.3356692481666781,0.4263844150503735,0.8129925981769583,0.8396443012816119,0.6036726406689055
EOS-2-21879,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)cc5)n34)cc2)nc1,KXRXAXNUHBTMAR-UHFFFAOYSA-N,2,1,0.356,69,867,434.434,5.314,6,0.374,0.75,1.0,0.34042389143992874,0.33124014803646085,0.7987543691316565,0.8005448564183401,0.5677408162565966
EOS-2-21880,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cc2)c1,BWCIUDCSZSUVCN-UHFFFAOYSA-N,2,1,0.4,93,107,434.434,5.314,6,0.374,0.85,1.0,0.31326673977109176,0.49275238160509904,0.7185508189980124,0.7961928586114728,0.580190699746419
EOS-2-21881,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)cc1,WRDILZXIKTYBCB-UHFFFAOYSA-N,2,1,0.414,93,107,434.434,5.314,6,0.374,0.86,1.0,0.3474230690151463,0.5338821876499212,0.7341940237132479,0.8090860804605579,0.6061463402097184
EOS-2-21882,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cn4)n23)cn1,JPYVWEWODPQWDB-UHFFFAOYSA-N,2,1,0.37,32,20,434.434,5.314,6,0.374,0.78,1.0,0.2492289767664999,0.3221163731067096,0.8027465560962237,0.8255345761085601,0.5499066205194983
EOS-2-21883,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)c1,GKZJFAKPQCUEIF-UHFFFAOYSA-N,2,1,0.411,93,107,434.434,5.314,6,0.374,0.87,1.0,0.3157340141182921,0.49766979644986636,0.7185593859228291,0.8005534233431567,0.5831291549585361
EOS-2-21884,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)nc4)n23)cc1,AEDSISJNEPEEOU-UHFFFAOYSA-N,2,1,0.389,93,479,434.434,5.314,6,0.374,0.77,1.0,0.29758070043177304,0.3938472345966692,0.8410235761770954,0.8607960386539648,0.5983118874648756
EOS-2-21885,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)cc1,OLIFDKCCJDWFCM-UHFFFAOYSA-N,2,1,0.403,69,30,434.434,5.314,6,0.374,0.8,1.0,0.3518093345212802,0.4748475087382633,0.8714275923514495,0.8748800630525666,0.64324112466589
EOS-2-21886,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)o5)n34)nc2)nc1,WAPVVWLXTZFMQU-UHFFFAOYSA-N,2,1,0.325,30,93,434.434,5.314,6,0.374,0.76,1.0,0.2464875608251662,0.27095469810156947,0.7491004728942499,0.7822202042354877,0.5121907340141183
EOS-2-21887,Fc1ccnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4ccco4)cn3)n12,FHGWMUMVKZCSLY-UHFFFAOYSA-N,2,1,0.333,32,20,434.434,5.314,6,0.374,0.71,0.993,0.32298163251319306,0.36524227263381537,0.6952830511959427,0.7500685353985334,0.5333938729353711
EOS-2-21888,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,PZXHCVHWKHGUFV-UHFFFAOYSA-N,2,1,0.365,69,30,434.434,5.314,6,0.374,0.67,1.0,0.34967617024193,0.4662548831471455,0.8221163731067096,0.8471574943458297,0.6213012302104037
EOS-2-21889,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3ccc(-c4ccccc4)cc3)n12,UPAPJEAMTPIOQZ-UHFFFAOYSA-N,2,1,0.4,21,538,434.434,5.314,6,0.374,0.77,1.0,0.37497429922555,0.5067164690562675,0.8395072304845452,0.8656706188746488,0.6467171544102529
EOS-2-21890,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)oc1-c1ccnnc1,IQJYZCXOBUTRRP-UHFFFAOYSA-N,2,1,0.394,93,651,434.434,5.314,6,0.374,0.72,1.0,0.3749828661503667,0.39385580152148586,0.8442190391337125,0.8592111575628812,0.6180672160921116
EOS-2-21891,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3)n12,WIRPPWWUSMPFKF-UHFFFAOYSA-N,2,1,0.389,21,538,434.434,5.314,6,0.374,0.75,1.0,0.37499143307518334,0.497678363374683,0.8410321431019121,0.8640857377835652,0.6444469193338359
EOS-2-21892,Fc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,ATNHGXAYQWJEIE-UHFFFAOYSA-N,2,1,0.356,69,484,434.434,5.314,6,0.374,0.75,1.0,0.3679922554999657,0.43571379617572475,0.8672726338153657,0.8640943047083819,0.6337682475498595
EOS-2-21893,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)nc5)n34)nc2)c1,KCRJFVFZOBHZOR-UHFFFAOYSA-N,2,1,0.348,32,20,434.434,5.314,6,0.374,0.83,1.0,0.2383489822493318,0.2865465012679049,0.827522102666027,0.8524775546569804,0.551223785210061
EOS-2-21894,Fc1ccccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cn4)n23)ccn1,OXJJBKWTUNKNJA-UHFFFAOYSA-N,2,1,0.351,32,20,434.434,5.314,6,0.374,0.76,1.0,0.26507778767733536,0.30684154615859094,0.8065160030155575,0.8296638338701939,0.5520247926804194
EOS-2-21895,Fc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)on2)c1,XTHGIBSLPAAPQZ-UHFFFAOYSA-N,2,1,0.375,93,987,434.434,5.314,6,0.374,0.79,1.0,0.32061716126379275,0.3796861078747173,0.8181927215406758,0.852486121581797,0.5927455280652457
EOS-2-21896,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)c1,BXUFNDHLRUPZLB-UHFFFAOYSA-N,2,1,0.362,69,30,434.434,5.314,6,0.374,0.76,1.0,0.3908402439860188,0.4397659516140086,0.8867024192995683,0.8889041189774518,0.6515531834692618
EOS-2-21897,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)ccn1,YPVWUMRXAIXSRA-UHFFFAOYSA-N,2,1,0.371,69,958,434.434,5.314,6,0.35,0.78,1.0,0.35414810499623056,0.4397745185388253,0.8888869851278185,0.8847662942910013,0.641893975738469
EOS-2-21898,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)nc1,OMGJYULRUKTBCC-UHFFFAOYSA-N,2,1,0.386,93,651,434.434,5.314,6,0.374,0.77,1.0,0.33804228634089506,0.41762901788773904,0.7289596326502639,0.7680590775135357,0.5631725035981084
EOS-2-21899,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)c5)n34)cc2)cc1,OXCXWRCLVMKYFP-UHFFFAOYSA-N,2,1,0.408,21,538,434.434,5.314,6,0.374,0.74,1.0,0.3541566719210472,0.4976869302994997,0.8629377698581318,0.8805428003563841,0.6488310431087657
EOS-2-21900,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4ccon4)cn3)n12,YGEPDDFBOZRSQD-UHFFFAOYSA-N,2,1,0.378,93,651,434.434,5.314,6,0.374,0.77,1.0,0.3027208553217737,0.37969467479953395,0.8182012884654924,0.845367007059146,0.5864959564114866
EOS-2-21901,Fc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,UPECHXOPQRCJCQ-UHFFFAOYSA-N,2,1,0.382,69,30,434.434,5.314,6,0.374,0.77,1.0,0.3930676444383524,0.4927609485299157,0.8960832019738195,0.8942327462134192,0.6690361352888767
EOS-2-21902,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,PBNFBHFNBUNZNG-UHFFFAOYSA-N,2,1,0.355,69,484,434.434,5.314,6,0.374,0.78,1.0,0.372524158727983,0.47056404632992943,0.8540024672743473,0.8574206702761976,0.6386278356521143
EOS-2-21903,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ncco5)nc4)n23)ccc1-c1ccccc1,CCYKZCGQPDFVMW-UHFFFAOYSA-N,2,1,0.342,69,93,434.434,5.314,6,0.374,0.76,1.0,0.3255774107326434,0.3797032417243506,0.7940339935576726,0.8176358714275923,0.5792376293605648
EOS-2-21904,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cc5)n34)cc2)nc1,KQRJDNRVVDAYFK-UHFFFAOYSA-N,2,1,0.382,69,898,434.434,5.314,6,0.374,0.78,1.0,0.34515283393872936,0.35582722226029745,0.8491964224521965,0.8556730176135974,0.6014623740662052
EOS-2-21905,Fc1ccccc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,LXOYGDFNRHCEDO-UHFFFAOYSA-N,2,1,0.384,69,30,434.434,5.314,6,0.374,0.8,1.0,0.3564783085463642,0.4662634500719622,0.8842951134260846,0.8915170310465356,0.6496384757727366
EOS-2-21906,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)ccc1-c1cnco1,PCZBWAWCBGRBQL-UHFFFAOYSA-N,2,1,0.338,69,220,434.434,5.314,6,0.374,0.8,1.0,0.37253272565279966,0.4081368651908711,0.8426170241929957,0.8556815845384141,0.6197420498937701
EOS-2-21907,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1,QVSNUXPOGFILRR-UHFFFAOYSA-N,2,1,0.377,69,30,434.434,5.314,6,0.374,0.83,1.0,0.28104653553560416,0.4034593242409705,0.8554588444931808,0.8690031526283325,0.6022419642245219
EOS-2-21908,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)cc1,VMEPIPOYWHNTKK-UHFFFAOYSA-N,2,1,0.37,69,30,434.434,5.314,6,0.374,0.8,1.0,0.30778390788842436,0.439783085463642,0.8629463367829484,0.8736721266534165,0.6210463641971078
EOS-2-21909,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cn5)n34)cc2)cc1,MJDOQPMOVAMXNU-UHFFFAOYSA-N,2,1,0.42,93,479,434.434,5.314,6,0.374,0.8,1.0,0.34968473716674664,0.4881690768281818,0.8255517099581934,0.8396528682064286,0.6257645980398876
EOS-2-21910,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)ncc1-c1cccnc1,UMICHNQZPLITQD-UHFFFAOYSA-N,2,1,0.351,32,479,434.434,5.314,6,0.374,0.73,1.0,0.31574258104310876,0.3312487149612775,0.8473888013158797,0.8556901514632308,0.5875175621958741
EOS-2-21911,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cc2)ccn1,ZMAJQNKTAKFMPM-UHFFFAOYSA-N,2,1,0.342,69,958,434.434,5.314,6,0.35,0.76,1.0,0.33316770612021107,0.4263929819751902,0.8615242272633815,0.8524946885066137,0.6183949009663491
EOS-2-21912,Fc1cc(-c2ccoc2)ccc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,YEDJUUKLTGPNJT-UHFFFAOYSA-N,2,1,0.359,42,174,434.434,5.314,6,0.374,0.77,0.977,0.3157511479679254,0.38928106366938525,0.8629549037077651,0.8705966006442327,0.6096459289973271
EOS-2-21913,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)c1,MWTINOHYKZTGCL-UHFFFAOYSA-N,2,1,0.576,12,897,434.434,5.333,6,0.373,0.66,1.0,0.7513193064217668,0.8604619285861147,0.8312230141868275,0.8574292372010143,0.8251083715989308
EOS-2-21914,Cn1nncc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cn4)n23)cn1,LJSWBMNEZWPLJD-UHFFFAOYSA-N,2,1,0.25,86,719,434.427,1.896,6,0.404,0.62,1.0,0.025700774450003426,0.024818381193886643,0.0542629017887739,0.06252141731204167,0.04182586868617641
EOS-2-21915,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)c2)nn1,ARHITWNBKVVKFQ-UHFFFAOYSA-N,2,1,0.245,99,719,434.427,1.896,6,0.404,0.6,0.997,0.0134929065862518,0.00985196353916798,0.07003461037625934,0.07505482831882668,0.04210857720512645
EOS-2-21916,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5cncnc5)cn4)n23)c1,HNQCHECJYGBMST-UHFFFAOYSA-N,2,1,0.282,86,213,434.427,1.896,6,0.404,0.61,1.0,0.04571311082173943,0.026925844698786925,0.07431807278459324,0.09917928860256323,0.0615340792269207
EOS-2-21917,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)n1,YWRDQFLWLUQCKM-UHFFFAOYSA-N,2,1,0.308,98,167,434.427,1.896,6,0.404,0.73,1.0,0.08654307449797821,0.057218490850524294,0.04064149133027208,0.04709238571722295,0.05787386059899939
EOS-2-21918,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)n1,NDFYPWKGJXSEPI-UHFFFAOYSA-N,2,1,0.287,98,727,434.427,1.896,6,0.404,0.66,1.0,0.07775340963607703,0.032639983551504353,0.08344184771434446,0.10127818518264683,0.07377835652114317
EOS-2-21919,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nc[nH]n6)cn5)n34)cn2)nn1,LPYSSLLISRMIQB-UHFFFAOYSA-N,2,1,0.302,86,14,434.427,2.194,6,0.437,0.58,0.99,0.10379686107874718,0.13510897128366803,0.07004317730107601,0.06743026523199232,0.09409481872387088
EOS-2-21920,Cn1cncc1-c1nncc(-c2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)n1,WJXFTTDPLSTUFA-UHFFFAOYSA-N,2,1,0.286,98,167,434.427,1.896,6,0.404,0.63,1.0,0.08211397436776095,0.022471043794119662,0.10254609005551367,0.11929442807209924,0.08160638407237338
EOS-2-21921,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)cc2)n1,WEYIQHVJJBRKGH-UHFFFAOYSA-N,2,1,0.308,98,761,434.427,1.896,6,0.404,0.74,1.0,0.11413713933246522,0.06878383935302584,0.08085463641971079,0.08213110821739428,0.08647668083064904
EOS-2-21922,Cn1nnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)n1,PEAWJTXBQHNRPF-UHFFFAOYSA-N,2,1,0.3,94,761,434.427,1.896,6,0.404,0.73,1.0,0.08907031731889521,0.0687924062778425,0.06189603180042492,0.08038345555479405,0.07503555273798916
EOS-2-21923,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cnccn6)nc5)n34)nc2)o1,NIVMPBDBFVSWHV-UHFFFAOYSA-N,2,1,0.296,86,459,434.423,3.064,6,0.407,0.63,1.0,0.13062846960455074,0.10205777534096361,0.15160030155575355,0.1281097937084504,0.1280990850524296
EOS-2-21924,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)nc2)no1,QKLIWFSPIQPMNE-UHFFFAOYSA-N,2,1,0.276,94,165,434.423,3.064,6,0.407,0.76,1.0,0.10121821670893016,0.12495716537591667,0.15775135357412104,0.15138612843533686,0.13382821602357617
EOS-2-21925,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)nn2)cc1,BFYUIIFEJVQLGU-UHFFFAOYSA-N,2,1,0.344,81,622,434.423,3.221,6,0.434,0.5,1.0,0.44458056336097596,0.365250839558632,0.2498971969022,0.2528784867384004,0.3281517716400521
EOS-2-21926,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)nc5)n34)cc2)o1,URRCOODRXNNLTH-UHFFFAOYSA-N,2,1,0.286,42,303,434.423,3.064,6,0.407,0.74,1.0,0.16874271811390584,0.11788945240216572,0.20378144061407716,0.18621924473990817,0.16915821396751424
EOS-2-21927,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnn6)n5)n34)cc2)no1,OTVICPREBKKUAI-UHFFFAOYSA-N,2,1,0.311,38,865,434.423,3.064,6,0.407,0.66,1.0,0.15519840997875403,0.10206634226578028,0.14245082585155233,0.14146562949763553,0.13529530189843053
EOS-2-21928,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ccncc6)n5)n34)cn2)n1,IETNEUIBZRTRMT-UHFFFAOYSA-N,2,1,0.321,86,790,434.423,3.064,6,0.407,0.72,1.0,0.27297649235830307,0.1461774381468028,0.09746590363922966,0.09510143238982935,0.15293031663354123
EOS-2-21929,Cn1nc(-c2nnc3cncc(OCc4cnccc4C#N)n23)cc1-c1cncc(C#N)c1,BISYAFNVGAIUCF-UHFFFAOYSA-N,2,1,0.375,92,694,434.423,2.304,5,0.407,0.62,1.0,0.32815605510246043,0.1541446782263039,0.5215972174628195,0.46880782674251253,0.36817644438352415
EOS-2-21930,Cc1cnc(-c2nnc3cncc(-c4nnc(-c5cccnn5)o4)n23)c(-c2ccccc2)n1,CSQARQFSHABKKD-UHFFFAOYSA-N,2,1,0.263,76,541,434.423,3.064,6,0.407,0.62,0.978,0.08212254129257762,0.03264855047632102,0.032511479679254336,0.053628949352340485,0.050227880200123365
EOS-2-21931,Cc1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cn2)cnn1,QZMRWSAHVUNBFT-UHFFFAOYSA-N,2,1,0.235,98,339,434.423,3.064,6,0.407,0.66,1.0,0.11414570625728189,0.08303920224796107,0.20740524981152766,0.20618017956274415,0.15269258446987868
EOS-2-21932,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cn2)o1,DWSORBDJDUSTEV-UHFFFAOYSA-N,2,1,0.313,70,392,434.423,3.064,6,0.407,0.71,1.0,0.1440871084915359,0.09256562264409568,0.22127510108971285,0.1944863271879926,0.16310353985333426
EOS-2-21933,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnn6)n5)n34)cc2)o1,ZWHWFQPRLLWFGQ-UHFFFAOYSA-N,2,1,0.278,98,303,434.423,3.064,6,0.407,0.66,0.996,0.18854088136522515,0.1315194297854842,0.14837913782468645,0.15661195257350422,0.156262850387225
EOS-2-21934,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnnc6)nc5)n34)nc2)o1,LKGDFJBTIRLFEM-UHFFFAOYSA-N,2,1,0.298,86,780,434.423,3.064,6,0.407,0.68,1.0,0.1661983414433555,0.10535604139538071,0.19335549311219244,0.16440785415667192,0.15732943252690015
EOS-2-21935,Cc1noc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cncnc5)n34)cn2)n1,WXJUGBYQFYQDGY-UHFFFAOYSA-N,2,1,0.287,94,165,434.423,3.064,6,0.407,0.65,1.0,0.1687512850387225,0.1283753683777671,0.12470872455623329,0.1281183606332671,0.1374884346514975
EOS-2-21936,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cn2)n1,LPMNIWPQZHKUHL-UHFFFAOYSA-N,2,1,0.309,70,968,434.423,3.064,6,0.407,0.62,1.0,0.16331128778013845,0.13511753820848468,0.17035329997943938,0.1538020012336372,0.1556460318004249
EOS-2-21937,CCn1cc(COc2cncc3nnc(-c4ccc(-c5nc(C)no5)c(OC)n4)n23)nn1,WLWTYGGKBGTHNK-UHFFFAOYSA-N,2,1,0.398,31,105,434.42,1.744,5,0.369,0.57,1.0,0.07567164690562675,0.09257418956891235,0.0064251936125008565,0.001207936399150161,0.04396974162154753
EOS-2-21938,c1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cn5)n34)cc2)ccn1,QYMMJGPFQPVSDU-UHFFFAOYSA-N,2,1,0.422,41,25,434.419,4.091,6,0.395,0.66,1.0,0.5236961140429032,0.3987560825166198,0.5005911178123501,0.4468764992118429,0.46747995339592896
EOS-2-21939,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)nn2)nc1,MYWXTBWXIPCUSB-UHFFFAOYSA-N,2,1,0.429,41,120,434.419,4.091,6,0.395,0.65,1.0,0.5030498252347337,0.3702196559522994,0.39777088616270306,0.3645483517236653,0.4088971797683504
EOS-2-21940,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)cc1,OIOYCOCWWONXRO-UHFFFAOYSA-N,2,1,0.42,77,323,434.419,4.091,6,0.395,0.7,1.0,0.619251593448016,0.4357223631005414,0.3977794530875197,0.3740919059694332,0.45671132890137756
EOS-2-21941,Cc1nnc(-c2ccc(-c3nnc4cncc(OC(=O)c5cnccc5F)n34)cn2)s1,HWBJIKKLKJDMDF-UHFFFAOYSA-N,2,1,0.418,55,617,434.416,2.767,5,0.393,0.63,0.966,0.4930436570488657,0.46627201699677884,0.1303200603111507,0.1193029949969159,0.3022346823384278
EOS-2-21942,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cc2)n1,PBGZFMVXFPWPDH-UHFFFAOYSA-N,2,1,0.529,37,320,434.41,2.882,5,0.405,0.63,1.0,0.7212579672400795,0.6384158042629018,0.44138510040435885,0.415050373517922,0.5540273113563156
EOS-2-21943,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccc(F)nc1,XYJJXQAAJDEEJV-UHFFFAOYSA-N,2,1,0.454,95,235,434.41,2.882,5,0.379,0.69,0.994,0.47065828250291275,0.37022822287711604,0.43758138578575834,0.4434325954355425,0.43047512165033236
EOS-2-21944,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)cc1,PVFQGQIUTKHNDZ-UHFFFAOYSA-N,2,1,0.522,37,475,434.41,2.882,5,0.379,0.64,1.0,0.7116887122198615,0.6430419436639024,0.5149235830306353,0.4808357891851141,0.5876225070248784
EOS-2-21945,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c(F)c1,WVWCTUUPRKKRMI-UHFFFAOYSA-N,2,1,0.495,37,589,434.41,2.882,5,0.405,0.65,1.0,0.6135802892193818,0.5760914262216434,0.5250411212391201,0.529710095264204,0.5611057329860873
EOS-2-21946,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccnc5F)n34)c(F)n2)cn1,OJMXEJZRSZQSIB-UHFFFAOYSA-N,2,1,0.44,55,468,434.41,3.322,5,0.378,0.71,1.0,0.4757898704680968,0.4486327187992598,0.487183880474265,0.4246281954629566,0.45905866630114456
EOS-2-21947,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)cn1,DEQRIGVZWXZAMC-UHFFFAOYSA-N,2,1,0.435,55,468,434.41,3.322,5,0.404,0.64,1.0,0.4783856486875471,0.42206668494277294,0.6039596326502639,0.5297186621890206,0.5085326571174011
EOS-2-21948,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)n1,IIIDLFAQWUVFNK-UHFFFAOYSA-N,2,1,0.687,84,360,434.41,2.882,5,0.405,0.69,0.999,0.8264855047632101,0.7208210540744294,0.5184788568295524,0.489865327941882,0.6389126859022686
EOS-2-21949,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1ccc(F)nc1,RBTIGWYQHZEAHB-UHFFFAOYSA-N,2,1,0.438,95,954,434.41,2.882,5,0.379,0.72,1.0,0.4471163731067096,0.3702367898019327,0.4047786306627373,0.4022770886162703,0.4061022205469125
EOS-2-21950,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)ccn1,VSMZCPQYNRMNGO-UHFFFAOYSA-N,2,1,0.451,92,468,434.41,3.727,5,0.402,0.72,1.0,0.440142896305942,0.4662805839215955,0.7237595092865465,0.5691436501953259,0.5498316599273525
EOS-2-21951,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)nc1F,MRQCOTINSFDTKX-UHFFFAOYSA-N,2,1,0.442,18,773,434.41,2.882,5,0.379,0.62,1.0,0.672503598108423,0.5067250359810842,0.5487458022068399,0.49904907134534987,0.5567558769104243
EOS-2-21952,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnn(C(F)F)n5)c4)n23)cc1,JRDJXGPCZIAQTM-UHFFFAOYSA-N,2,1,0.58,43,258,434.41,3.727,5,0.402,0.7,1.0,0.7088616270303612,0.49276951545473235,0.4936347748612158,0.4279607292166404,0.5308066616407374
EOS-2-21953,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cc1-c1cncc(F)c1,VCBHZPJCPGCUFX-UHFFFAOYSA-N,2,1,0.457,95,235,434.41,2.882,5,0.405,0.69,0.999,0.44956651360427663,0.33125728188609416,0.42294051127407306,0.44026283325337534,0.41100678500445476
EOS-2-21954,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2)cn1,RLKLUYGBCIUGHW-UHFFFAOYSA-N,2,1,0.56,15,519,434.41,3.461,5,0.387,0.66,1.0,0.6538362689329038,0.6240747721197999,0.713145089438695,0.6181378932218491,0.652298505928312
EOS-2-21955,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1F,NTRXQMFINASDNX-UHFFFAOYSA-N,2,1,0.527,37,589,434.41,2.882,5,0.405,0.63,1.0,0.6448409978754026,0.5913405523953121,0.5351158248235214,0.5395020903296552,0.5776998663559729
EOS-2-21956,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nn2C)cn1,BURJKORAGYSJDR-UHFFFAOYSA-N,2,1,0.554,95,998,434.41,3.147,5,0.419,0.65,1.0,0.4954680967719827,0.3797118086491673,0.5317318895209375,0.49295798780069905,0.47496744568569665
EOS-2-21957,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)nn1,XWSRAMUYPBAMFX-UHFFFAOYSA-N,2,1,0.553,27,51,434.41,3.498,5,0.404,0.66,1.0,0.38425227880200125,0.44425502021794255,0.7390686039339319,0.647385374545953,0.5537403193749573
EOS-2-21958,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cn1,SNFRNIOUMRKZBB-UHFFFAOYSA-N,2,1,0.438,55,823,434.41,3.322,5,0.378,0.69,1.0,0.6479079569597698,0.47485607566307997,0.5847268864368447,0.4961106161332328,0.5509003837982318
EOS-2-21959,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1ccc(F)nc1,ZSOYLHZKPFTQQS-UHFFFAOYSA-N,2,1,0.439,95,235,434.41,2.882,5,0.379,0.7,0.995,0.4378640943047084,0.3558357891851141,0.38659104927695154,0.402285655541087,0.39564414707696527
EOS-2-21960,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(F)c5F)n34)c2)cn1,GTLRMFHTVZTCRR-UHFFFAOYSA-N,2,1,0.371,46,711,434.41,3.322,5,0.378,0.64,0.997,0.377347337399767,0.24046501267904874,0.5910321431019121,0.5029298882873003,0.42794359536700705
EOS-2-21961,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ncn1,IPFMOCRTQMPMNQ-UHFFFAOYSA-N,2,1,0.413,46,864,434.41,3.322,5,0.404,0.63,1.0,0.510622986772668,0.3605561647590981,0.5654170379000754,0.5395106572544719,0.49402671167157836
EOS-2-21962,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cc2F)n1,ZXLQGQVYEMGVLD-UHFFFAOYSA-N,2,1,0.511,37,639,434.41,2.882,5,0.379,0.67,1.0,0.7513278733465835,0.7117486806935782,0.4229490781988897,0.41195771365910494,0.5744958364745391
EOS-2-21963,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)nc2C(F)F)cn1,SEQGRMHZRFYRCM-UHFFFAOYSA-N,2,1,0.534,27,122,434.41,3.498,5,0.404,0.67,0.954,0.3610787471729148,0.36056473168391473,0.5878709478445617,0.4561202110890275,0.44140865944760466
EOS-2-21964,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)nn2)cn1,FLABVGNRNOTSAW-UHFFFAOYSA-N,2,1,0.506,54,44,434.41,2.882,5,0.405,0.69,0.999,0.5568672469330409,0.44864128572407647,0.5317404564457542,0.5297272291138373,0.5167440545541773
EOS-2-21965,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2F)n1,XJXVZXNFUXGHIA-UHFFFAOYSA-N,2,1,0.539,37,589,434.41,2.882,5,0.405,0.64,1.0,0.7243163593996299,0.7117572476183949,0.45907580015077787,0.4531474881776438,0.5870742238366116
EOS-2-21966,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)c(F)c1,IAASWLVPJBFTGL-UHFFFAOYSA-N,2,1,0.57,37,669,434.41,2.882,5,0.379,0.66,1.0,0.6567918579946542,0.5960266602700295,0.5847354533616613,0.5625985196353916,0.6000381228154341
EOS-2-21967,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1ccc(F)nc1,RTEQZYYVCCCGGM-UHFFFAOYSA-N,2,1,0.442,95,493,434.41,2.882,5,0.379,0.69,0.999,0.4783942156123638,0.3652594064834487,0.49030224110753207,0.4841426221643479,0.45452462134192306
EOS-2-21968,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1F,KUHKPIWAKFCHEU-UHFFFAOYSA-N,2,1,0.517,37,639,434.41,2.882,5,0.379,0.67,1.0,0.8264940716880269,0.7441830580494826,0.437589952710575,0.44344116236035913,0.6129270612021109
EOS-2-21969,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cn2)n1,WGIBDHGEVCMRQE-UHFFFAOYSA-N,2,1,0.528,84,672,434.41,2.882,5,0.405,0.66,1.0,0.7058889041189774,0.6874528819135083,0.4903108080323487,0.48084435610993076,0.5911242375436913
EOS-2-21970,Cc1cc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4)n23)cnc1OC(F)F,IFUOPCFVDYEIQP-UHFFFAOYSA-N,2,1,0.341,50,243,434.41,3.559,5,0.417,0.64,1.0,0.43529401685970803,0.457345281337811,0.57540607223631,0.4594784456171613,0.48188095401274755
EOS-2-21971,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)cn1,VOEZKYDRNXCMSG-UHFFFAOYSA-N,2,1,0.488,27,399,434.41,3.498,5,0.404,0.71,1.0,0.4979953395928997,0.4835258035775478,0.7491090398190665,0.6415684325954355,0.5930496538962374
EOS-2-21972,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccc(F)nc1,XJUFVKRHDQLACD-UHFFFAOYSA-N,2,1,0.483,95,493,434.41,2.882,5,0.379,0.67,1.0,0.47840278253718044,0.37024535672674935,0.49706154478788295,0.47192618737577957,0.4544089678568981
EOS-2-21973,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)cc1,XKZWKKUTLJGFDC-UHFFFAOYSA-N,2,1,0.649,91,402,434.41,2.882,5,0.405,0.74,1.0,0.7422983345898156,0.7612226715098348,0.5285792611884038,0.5562332944966075,0.6470833904461655
EOS-2-21974,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)nn4C)n23)cc1F,YFZADZBNNAETPI-UHFFFAOYSA-N,2,1,0.462,73,82,434.41,3.147,5,0.419,0.66,1.0,0.5338136522513879,0.5429802618052224,0.43002535809745734,0.4052840792269207,0.4780258378452471
EOS-2-21975,CCn1cc(-c2cnc(COc3cncc4nnc(-c5cc(F)ccc5F)n34)cn2)cn1,OXCSHXKNUGRKNB-UHFFFAOYSA-N,2,1,0.462,73,399,434.41,3.322,5,0.404,0.69,1.0,0.4565142896305942,0.4794736481392639,0.5112912069083682,0.48085292303474747,0.4820330169282434
EOS-2-21976,Cn1nc(-c2nnc3cncc(OCCc4c(F)ccnc4F)n23)cc1-c1cccnc1,SDJPKDHPKIIHHA-UHFFFAOYSA-N,2,1,0.447,95,493,434.41,2.882,5,0.379,0.67,1.0,0.46587793845521214,0.3652679734082654,0.430033925022274,0.4372387087930916,0.4246046364197108
EOS-2-21977,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)nn2C)cnc1F,LFPVYTOIERQJLP-UHFFFAOYSA-N,2,1,0.394,95,694,434.41,3.147,5,0.392,0.67,0.998,0.3886642450825852,0.3017442258926736,0.5722534439037763,0.48987389486669863,0.4381339524364334
EOS-2-21978,Cn1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1cncc(F)c1,LCOHRPLKHSWMHL-UHFFFAOYSA-N,2,1,0.457,95,493,434.41,2.882,5,0.379,0.66,1.0,0.4954766636967994,0.3410150092522788,0.5005996847371668,0.4929665547255157,0.45751447810294016
EOS-2-21979,Cn1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1cccnc1F,KMLGIMJTJDWHPS-UHFFFAOYSA-N,2,1,0.462,95,493,434.41,2.882,5,0.379,0.71,0.999,0.4658865053800288,0.370253923651566,0.46610924542526216,0.45315605510246043,0.4388514323898294
EOS-2-21980,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)cn1,BPMHRPABPKTKMN-UHFFFAOYSA-N,2,1,0.524,27,69,434.41,3.498,5,0.404,0.64,1.0,0.41038139949283803,0.46194571996436157,0.7442601603728326,0.5909550407785621,0.5518855801521485
EOS-2-21981,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)[nH]c1F,VGRBKVHHQVHREJ-UHFFFAOYSA-N,2,1,0.521,58,578,434.41,3.18,5,0.409,0.58,1.0,0.6964824206702762,0.6874614488383249,0.4800990336508807,0.42796929614145707,0.5730030498252348
EOS-2-21982,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)c(F)c1,QHXIKFWKCQVEEN-UHFFFAOYSA-N,2,1,0.5,37,639,434.41,2.882,5,0.379,0.66,1.0,0.7304331437187307,0.6384243711877184,0.42295764512370637,0.42168974025083955,0.5533762250702488
EOS-2-21983,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,ZYIMDIABYKCPOU-UHFFFAOYSA-N,2,1,0.778,91,781,434.41,2.882,5,0.405,0.78,1.0,0.8211825783016928,0.7658830786101021,0.5521554382838736,0.5691522171201425,0.6770933280789527
EOS-2-21984,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1F,PRMIFIYUOXUTPF-UHFFFAOYSA-N,2,1,0.533,37,125,434.41,2.882,5,0.405,0.71,1.0,0.7180111027345624,0.6483363032006031,0.535124391748338,0.5364094304708382,0.6094703070385854
EOS-2-21985,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cccc(F)n1,QYTSFUFOLIPZBS-UHFFFAOYSA-N,2,1,0.424,95,477,434.41,2.882,5,0.379,0.69,0.957,0.4881519429785484,0.35090980741553013,0.3375625385511617,0.3707251045164828,0.3868373483654307
EOS-2-21986,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)nn1,LNLIMKVVEOIXFY-UHFFFAOYSA-N,2,1,0.452,16,772,434.41,3.322,5,0.404,0.66,1.0,0.3702624905763827,0.3221249400315263,0.5453532999794394,0.5227794530875197,0.44013004591871707
EOS-2-21987,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)nc1F,ICGCPHPTNZOGEM-UHFFFAOYSA-N,2,1,0.483,58,773,434.41,2.882,5,0.379,0.64,1.0,0.5966349119320129,0.4705726132547461,0.4970701117126996,0.44688506613665957,0.5027906757590296
EOS-2-21988,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cncc(F)c1,RCFZUPMCRXZAKU-UHFFFAOYSA-N,2,1,0.443,95,235,434.41,2.882,5,0.405,0.71,0.966,0.4706668494277294,0.3265454732369269,0.42650435199780684,0.4531646220272771,0.4192203241724351
EOS-2-21989,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)nc1F,MDGXGKDYIYJVFC-UHFFFAOYSA-N,2,1,0.426,31,773,434.41,2.882,5,0.379,0.63,0.998,0.6846600644232747,0.5248440819683367,0.4936433417860325,0.4468936330614762,0.53751028030978
EOS-2-21990,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nc2F)n1,JXCZGLBMBMIOEI-UHFFFAOYSA-N,2,1,0.432,18,773,434.41,2.882,5,0.379,0.56,1.0,0.5994191624974299,0.4619542868891783,0.47627818518264686,0.4434497292851758,0.49527534096360765
EOS-2-21991,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nc2F)c1,HNLSOAXZMSZCQV-UHFFFAOYSA-N,2,1,0.429,58,954,434.41,2.882,5,0.379,0.64,0.999,0.6448495648002193,0.547966212048523,0.40819683366458775,0.37748440819683365,0.4946242546775409
EOS-2-21992,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ncn4)n23)cn1,NZIAZUFFSXRHPA-UHFFFAOYSA-N,2,1,0.484,44,130,434.41,2.882,5,0.405,0.65,1.0,0.5289390720307039,0.40814543211568777,0.572262010828593,0.5562418614214242,0.5163970940991023
EOS-2-21993,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)cn1,WCHRBRPASXPNJW-UHFFFAOYSA-N,2,1,0.494,92,36,434.41,3.498,5,0.404,0.69,1.0,0.5081043108765677,0.4442635871427592,0.7859039819066548,0.6444554862586526,0.5956818415461586
EOS-2-21994,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)nc2F)n1,WRXHNLUBOYWZNW-UHFFFAOYSA-N,2,1,0.436,18,773,434.41,2.882,5,0.379,0.61,1.0,0.5736241518744432,0.45735384826262765,0.49707867863751626,0.46559522993626207,0.49841297717771227
EOS-2-21995,FC(F)Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cn2)cn1,XPJUTKXENMNVLU-UHFFFAOYSA-N,2,1,0.568,27,860,434.41,3.289,5,0.388,0.66,1.0,0.3307689671715441,0.37972037557398397,0.5619302994996916,0.4778630662737304,0.4375706771297376
EOS-2-21996,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)cc1,CWGGZPRSRBHQKZ-UHFFFAOYSA-N,2,1,0.625,91,803,434.41,2.882,5,0.405,0.75,1.0,0.7659259132341855,0.7612312384346515,0.4903193749571654,0.529735796038654,0.636803080666164
EOS-2-21997,Cn1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)n1,IVKOHTBJSVKDGO-UHFFFAOYSA-N,2,1,0.506,27,51,434.41,3.498,5,0.404,0.7,1.0,0.5106315536974847,0.5108028921938181,0.609990747721198,0.5195154547323693,0.5377351620862175
EOS-2-21998,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cc2F)nn1,PVYWFGARUFTSTJ-UHFFFAOYSA-N,2,1,0.483,16,772,434.41,3.322,5,0.404,0.69,1.0,0.4930522239736824,0.43095058597765745,0.5687153039544925,0.5562504283462408,0.5122421355630182
EOS-2-21999,FC(F)n1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cn1,CDSKKVUKSYYVTG-UHFFFAOYSA-N,2,1,0.483,65,529,434.41,3.461,5,0.387,0.66,1.0,0.4445891302857926,0.4176375848125557,0.6099993146460146,0.5332825029127545,0.5013771331642793
EOS-2-22000,Cn1cnc(-c2cncc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)c1,RCYDWOHDJGCVGQ-UHFFFAOYSA-N,2,1,0.464,87,227,434.41,2.882,5,0.405,0.52,1.0,0.6601672263724213,0.5293759851963539,0.5285878281132205,0.48988246179151534,0.5520033753683777
EOS-2-22001,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)nc1,RNOOKYZEYATQLW-UHFFFAOYSA-N,2,1,0.398,46,128,434.41,3.322,5,0.404,0.62,0.967,0.46816530738126244,0.3843122472757179,0.5722705777534096,0.4990576382701665,0.4809514426701391
EOS-2-22002,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)nc1,LZAUVCFLFBALMX-UHFFFAOYSA-N,2,1,0.418,46,128,434.41,3.132,5,0.388,0.67,0.925,0.4633164279350284,0.32655404016174355,0.4229662120485231,0.39933006647933655,0.4030416866561579
EOS-2-22003,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1F,VWFBESUBVZCZNE-UHFFFAOYSA-N,2,1,0.57,37,125,434.41,2.882,5,0.379,0.67,1.0,0.7423069015146323,0.6726406689054897,0.6100078815708313,0.5909636077033787,0.653979764923583
EOS-2-22004,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)nc2)n1,WFSKDLURAIBQBJ-UHFFFAOYSA-N,2,1,0.484,84,672,434.41,2.882,5,0.405,0.7,0.996,0.6694709067233225,0.5429888287300391,0.49032794188198203,0.47787163319854703,0.5451648276334726
EOS-2-22005,Cn1nc(-c2nnc3cncc(OCc4ccncc4)n23)cc1-c1ccc(C(F)F)nc1,NCLWHVYEWRVXAZ-UHFFFAOYSA-N,2,1,0.433,95,694,434.41,3.498,5,0.404,0.71,0.945,0.3657991227468988,0.28112363785895417,0.6572973065588377,0.5432801041738058,0.4618750428346241
EOS-2-22006,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)cc1-c1ccc(F)cc1,VJDMBOILWQDIII-UHFFFAOYSA-N,2,1,0.467,95,266,434.41,2.882,5,0.405,0.64,1.0,0.5055770680556507,0.46196285381399493,0.3601620862175314,0.4119662805839216,0.43491707216777464
EOS-2-22007,Cn1nc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1-c1ccc(F)nc1,NDQZIVGNWCOZMD-UHFFFAOYSA-N,2,1,0.446,95,493,434.41,2.882,5,0.379,0.65,1.0,0.5081128778013844,0.3892896305942019,0.4626396408745117,0.44690219998629294,0.45173608731409776
EOS-2-22008,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nc2)cn1,IJQGQROKCQOJHJ-UHFFFAOYSA-N,2,1,0.533,87,367,434.41,3.461,5,0.387,0.63,1.0,0.4495750805290933,0.4357309300253581,0.5814029196079775,0.4808614899595641,0.48689260503049825
EOS-2-22009,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnn(C)c5)cn4)n23)c(F)c1F,DEAVPXULNMNZRJ-UHFFFAOYSA-N,2,1,0.448,51,969,434.41,3.147,5,0.419,0.78,1.0,0.5005996847371668,0.5663851004043589,0.6428277705434857,0.5395192241792885,0.562332944966075
EOS-2-22010,Cn1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c1F,GQDCKXNFANWUHC-UHFFFAOYSA-N,2,1,0.495,65,904,434.41,2.882,5,0.405,0.68,1.0,0.6694794736481393,0.5571071208279076,0.565425604824892,0.5130388595709684,0.5762627647179768
EOS-2-22011,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1F,NDVVGXZULPLTCX-UHFFFAOYSA-N,2,1,0.595,37,669,434.41,2.882,5,0.379,0.68,1.0,0.868009389349599,0.795207662257556,0.531749023370571,0.513047426495785,0.6770033753683777
EOS-2-22012,Cn1nc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1ccc(F)c(F)c1,GAGPQVIEUTWPGZ-UHFFFAOYSA-N,2,1,0.462,95,998,434.41,2.882,5,0.405,0.7,1.0,0.4681738743060791,0.34618943184154616,0.3793691316565006,0.40871084915358785,0.4006108217394284
EOS-2-22013,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)nc1F,ACPUOBGBDXPOQJ-UHFFFAOYSA-N,2,1,0.418,58,814,434.41,2.882,5,0.379,0.66,0.998,0.6246744568569667,0.492778082379549,0.43389760811459116,0.40229422246590363,0.48841109245425257
EOS-2-22014,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1F,YPWXLQVOMOQOJC-UHFFFAOYSA-N,2,1,0.583,37,669,434.41,2.882,5,0.379,0.73,1.0,0.8082208210540744,0.7208296209992461,0.5184874237543692,0.4990662051949832,0.6366510177506682
EOS-2-22015,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)cn1,VRXFMMDXAPTMTA-UHFFFAOYSA-N,2,1,0.483,27,399,434.41,3.498,5,0.404,0.76,1.0,0.46332499485984513,0.4748646425878966,0.7390771708587486,0.6444640531834692,0.5804327153724899
EOS-2-22016,Cc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n(C)n2)nn1,UXBKQLAHNNVZCI-UHFFFAOYSA-N,2,1,0.481,61,121,434.41,3.559,5,0.417,0.74,1.0,0.31050818998012475,0.38929819751901856,0.6218645055170996,0.5658625179905421,0.47188335275169624
EOS-2-22017,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nn2)cn1,HUOZIMMBSHCSPE-UHFFFAOYSA-N,2,1,0.561,54,44,434.41,3.322,5,0.404,0.67,1.0,0.4930607908984991,0.40346789116578713,0.5619388664245083,0.5395277911041053,0.499498834898225
EOS-2-22018,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,QRBOTMYBIAGUML-UHFFFAOYSA-N,2,1,0.477,89,51,434.41,3.498,5,0.404,0.73,0.982,0.581908368172161,0.5760999931464601,0.3902491261736687,0.3960746350490028,0.4860830306353231
EOS-2-22019,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)nc1,OVMWYVJWELIXED-UHFFFAOYSA-N,2,1,0.423,31,814,434.41,2.882,5,0.405,0.74,0.999,0.6360856007127681,0.47487320951271333,0.545361866904256,0.4929751216503324,0.5373239496950175
EOS-2-22020,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)cn1,PKFXWEGZSVMLFE-UHFFFAOYSA-N,2,1,0.478,36,908,434.41,3.322,5,0.404,0.73,1.0,0.5762627647179769,0.5429973956548557,0.48719244739908163,0.5029384552121171,0.5273477657460078
EOS-2-22021,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)n[nH]1,CEXRSUZVPWZTFM-UHFFFAOYSA-N,2,1,0.539,84,35,434.41,3.18,5,0.437,0.71,1.0,0.6568004249194709,0.5913491193201289,0.5556507436090741,0.5297443629634706,0.5833861627030361
EOS-2-22022,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccn1,HNVXAJNSTCNYRS-UHFFFAOYSA-N,2,1,0.456,75,624,434.41,3.322,5,0.404,0.62,1.0,0.5682012884654924,0.3938643684463025,0.5754146391611267,0.5163628263998356,0.5134607806181893
EOS-2-22023,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,MDWGLDWFIMSOGY-UHFFFAOYSA-N,2,1,0.483,27,69,434.41,3.592,5,0.403,0.66,0.998,0.3281646220272771,0.3068501130834076,0.6736087314097732,0.5527122883969571,0.46533393872935375
EOS-2-22024,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)nn2)cn1,PMOLPQMTUUDSMU-UHFFFAOYSA-N,2,1,0.429,54,44,434.41,3.322,5,0.404,0.73,1.0,0.40160030155575355,0.3605732986087314,0.5351329586731547,0.5297529298882873,0.4567648721814817
EOS-2-22025,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)n5)n34)cn2)c1,FQJXFDBQRXJGDF-UHFFFAOYSA-N,2,1,0.5,58,579,434.41,2.882,5,0.379,0.68,0.999,0.7830768967171544,0.7395569186484819,0.4762867521074635,0.4216983071756562,0.605154718662189
EOS-2-22026,Cn1cncc1-c1cnc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cn1,LAACAJIJNVWLNG-UHFFFAOYSA-N,2,1,0.506,27,343,434.41,3.498,5,0.404,0.71,1.0,0.6876327873346584,0.5248526488931533,0.7185679528476459,0.6212048523062161,0.6380645603454185
EOS-2-22027,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ccn2)n1,YYFCYKFDSWOOSX-UHFFFAOYSA-N,2,1,0.523,75,265,434.41,2.882,5,0.405,0.59,1.0,0.5791755191556439,0.4573624151874443,0.5585891988211912,0.5029470221369338,0.5245185388253033
EOS-2-22028,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2F)n1,DDXAVFDKPJPCIO-UHFFFAOYSA-N,2,1,0.443,31,928,434.41,2.882,5,0.379,0.6,1.0,0.565322801727092,0.4619714207388116,0.42297477897333974,0.4023027893907203,0.4631429477074909
EOS-2-22029,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(F)c(F)c5)n34)cn2)c1,SHMHACZYJRDISI-UHFFFAOYSA-N,2,1,0.516,65,823,434.41,2.882,5,0.379,0.63,1.0,0.7971609211157563,0.7441916249742992,0.5521640052086902,0.4808700568843808,0.6435966520457816
EOS-2-22030,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1,PSFIXQFTBQDNQQ-UHFFFAOYSA-N,2,1,0.506,16,734,434.41,3.322,5,0.404,0.54,1.0,0.7659344801590021,0.48817764375299844,0.5585977657460078,0.5259920498937701,0.5846754848879446
EOS-2-22031,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)cn2)cn1,LBAVCIAPZNTOKS-UHFFFAOYSA-N,2,1,0.505,87,468,434.41,2.882,5,0.405,0.67,1.0,0.6080032211637311,0.5479747789733397,0.5722791446782263,0.5092951134260846,0.5593880645603454
EOS-2-22032,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2F)n1,OTIOBAKSTQVXKG-UHFFFAOYSA-N,2,1,0.558,37,619,434.41,2.882,5,0.405,0.65,1.0,0.7541035569871839,0.697184908505243,0.5112997738331848,0.49298368857514907,0.6138929819751902
EOS-2-22033,FC(F)n1cc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,BHUWGXQWVZGQHE-UHFFFAOYSA-N,2,1,0.524,65,349,434.41,3.461,5,0.387,0.72,1.0,0.4310191213761908,0.4081539990405044,0.7315040093208142,0.6239205674730999,0.5486494243026523
EOS-2-22034,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nc2F)n1,RKIFSKKCQZOPLA-UHFFFAOYSA-N,2,1,0.418,58,237,434.41,2.882,5,0.379,0.63,1.0,0.5440768281817558,0.46628915084641215,0.39025769309848535,0.36455691864848194,0.44129514769378386
EOS-2-22035,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)c1,SRTIKEISQOUDBW-UHFFFAOYSA-N,2,1,0.417,2,905,434.41,3.322,5,0.378,0.63,0.981,0.5595915290247413,0.4220752518675896,0.6189603180042492,0.5462613940100062,0.5367221232266466
EOS-2-22036,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)nn2)cn1,RQFQYGWMERVASF-UHFFFAOYSA-N,2,1,0.517,54,44,434.41,2.882,5,0.405,0.73,1.0,0.5568758138578576,0.46197998766362824,0.5687238708793092,0.5562589952710575,0.5359596669179632
EOS-2-22037,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)nc1F,UXCHQOZIHXAHHW-UHFFFAOYSA-N,2,1,0.443,31,814,434.41,2.882,5,0.379,0.64,0.917,0.6391182920978685,0.4927866493043657,0.4661178123500788,0.44345829620999244,0.5103702624905764
EOS-2-22038,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cc2)cn1,YTIICILYIDGCQV-UHFFFAOYSA-N,2,1,0.54,15,519,434.41,3.461,5,0.387,0.67,1.0,0.559600095949558,0.6430505105887191,0.6247344253306834,0.5462699609348228,0.5934137482009458
EOS-2-22039,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)cn1,QUXAILKQFZVTPG-UHFFFAOYSA-N,2,1,0.489,27,69,434.41,3.592,5,0.403,0.64,1.0,0.3842608457268179,0.37511993694743334,0.7056061956000275,0.539536358028922,0.5011308340758002
EOS-2-22040,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnc(F)cn4)n23)ccc1F,FZXNSJOXIFONMM-UHFFFAOYSA-N,2,1,0.5,20,125,434.41,2.882,5,0.405,0.68,1.0,0.7569991775752176,0.6430590775135357,0.5453704338290727,0.5061339181687341,0.61289065177164
EOS-2-22041,Cn1ccc(-c2cnc(F)c(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)n1,OXVSPKHJPHBANC-UHFFFAOYSA-N,2,1,0.5,58,578,434.41,2.882,5,0.379,0.69,1.0,0.6219587416900829,0.5338907545747379,0.5556593105338907,0.48687547118086494,0.549596069494894
EOS-2-22042,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cn1,OELCTEUARJDICK-UHFFFAOYSA-N,2,1,0.511,65,468,434.41,3.461,5,0.387,0.67,1.0,0.48816050990336507,0.5571156877527242,0.6541875128503872,0.5462785278596395,0.561435559591529
EOS-2-22043,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)c1,JFNRXTCPLCLVAW-UHFFFAOYSA-N,2,1,0.408,46,211,434.41,3.322,5,0.378,0.69,0.997,0.38182783907888423,0.28655506819272153,0.5317575902953876,0.45948701254197793,0.4149068775272428
EOS-2-22044,Cn1cncc1-c1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1F,YXCSSMLNWMLURQ-UHFFFAOYSA-N,2,1,0.441,31,773,434.41,2.882,5,0.379,0.66,1.0,0.6219673086148996,0.42640154890000687,0.4590843670755945,0.4342488520320746,0.48542551915564386
EOS-2-22045,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1F,YYPGQUUELNPWOH-UHFFFAOYSA-N,2,1,0.576,37,669,434.41,2.882,5,0.379,0.66,1.0,0.7513364402714002,0.6677489548351724,0.5975430059625797,0.5785072990199438,0.648783925022274
EOS-2-22046,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cn1,NTINESCPMXTIRK-UHFFFAOYSA-N,2,1,0.467,36,910,434.41,3.322,5,0.404,0.62,1.0,0.605193269823864,0.5338993214995545,0.49365190871084913,0.4961191830580495,0.5322159207730792
EOS-2-22047,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)ccn2)cn1,JADFHCUIDKLRRS-UHFFFAOYSA-N,2,1,0.446,55,329,434.41,3.322,5,0.378,0.59,1.0,0.4264786512233569,0.37512850387225,0.6008241381673635,0.5227880200123364,0.4813048283188267
EOS-2-22048,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)cn1,ZLUDBQVBXRESEJ-UHFFFAOYSA-N,2,1,0.512,51,943,434.41,3.498,5,0.404,0.71,1.0,0.5682098553903091,0.5430059625796724,0.7467531354944829,0.6386385443081352,0.6241518744431499
EOS-2-22049,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c1,DZJJNBQKRUNLFC-UHFFFAOYSA-N,2,1,0.484,65,184,434.41,2.882,5,0.405,0.62,1.0,0.6633883901034885,0.5021502981289836,0.5556678774587074,0.5093036803509012,0.5576275615105202
EOS-2-22050,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccn1,NACNVBFVGOKFJN-UHFFFAOYSA-N,2,1,0.462,27,69,434.41,3.498,5,0.404,0.68,1.0,0.5568843807826742,0.4835343705023645,0.6897916523884586,0.5462870947844561,0.5691243746144884
EOS-2-22051,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)nn1C,WSEYNIFIVGJBAQ-UHFFFAOYSA-N,2,1,0.474,61,121,434.41,3.559,5,0.417,0.81,1.0,0.3404324583647454,0.4442721540675759,0.5079501062298677,0.4688163936673292,0.4403677780823796
EOS-2-22052,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)cc2F)n1,RQJUPKSNBVVNSI-UHFFFAOYSA-N,2,1,0.73,91,258,434.41,2.882,5,0.405,0.76,1.0,0.8841837434034678,0.8604704955109314,0.5006082516619834,0.5332910698375711,0.6946383901034884
EOS-2-22053,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)nn2)cn1,OTDHPUIAKDXMEP-UHFFFAOYSA-N,2,1,0.605,54,44,434.41,2.882,5,0.405,0.72,0.999,0.6664039476389555,0.46198855458844496,0.5942961414570626,0.5658710849153588,0.5721399321499554
EOS-2-22054,CCn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cn2)n1,PYTQRSPXNVUQFK-UHFFFAOYSA-N,2,1,0.441,55,283,434.41,3.322,5,0.378,0.74,1.0,0.5289476389555205,0.48354293742718113,0.48010760057569735,0.4217068741004729,0.478576262764718
EOS-2-22055,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccn2)cn1,MISLJSWDCHPOEK-UHFFFAOYSA-N,2,1,0.451,92,69,434.41,3.498,5,0.404,0.71,1.0,0.5237046809677198,0.4794822150640806,0.7467617024192996,0.5998817764375299,0.5874575937221576
EOS-2-22056,Cn1nc(-c2ccc(F)cn2)cc1-c1nnc2cncc(OCCc3cccc(F)n3)n12,OCBIDWHYRGHRMV-UHFFFAOYSA-N,2,1,0.404,95,954,434.41,2.882,5,0.379,0.62,1.0,0.4401514632307587,0.35584435610993076,0.3229987663628264,0.35153519292714686,0.3676324446576657
EOS-2-22057,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)nc4F)n23)ccn1,OAPJYJIGSGFPJZ-UHFFFAOYSA-N,2,1,0.518,75,359,434.41,2.882,5,0.379,0.63,1.0,0.687641354259475,0.5155404016174354,0.4375985196353917,0.39028339387293537,0.5077659173463094
EOS-2-22058,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1cncn1C,ZWZOPVCZHANJME-UHFFFAOYSA-N,2,1,0.61,13,209,434.406,4.271,5,0.411,0.81,1.0,0.8454869440065794,0.6288379823178671,0.8912171886779522,0.8157854156671921,0.7953318826673977
EOS-2-22059,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)o1,KCZHFXCPNORHFW-UHFFFAOYSA-N,2,1,0.757,91,781,434.406,4.049,5,0.398,0.77,1.0,0.9452402165718594,0.8825731615379343,0.7289681995750805,0.6791258309917072,0.8089768521691454
EOS-2-22060,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(F)c5)n34)cn2)o1,KZTAQSSBKWKFTH-UHFFFAOYSA-N,2,1,0.605,84,524,434.406,4.049,5,0.398,0.74,1.0,0.8454955109313961,0.7830169282434377,0.7157494345829621,0.6644935234048386,0.7521888492906585
EOS-2-22061,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)cc2)o1,MRECVKCWIXEMIX-UHFFFAOYSA-N,2,1,0.646,91,660,434.406,4.049,5,0.398,0.77,1.0,0.9272668083064903,0.8853317113289014,0.7056147625248441,0.6672606401206223,0.7963684805702145
EOS-2-22062,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1nccn1C,ASVFFMQTTMUNIC-UHFFFAOYSA-N,2,1,0.625,13,209,434.406,4.271,5,0.411,0.8,1.0,0.7801812761291207,0.615122335686382,0.8426255911178123,0.7550973202659174,0.7482566307998081
EOS-2-22063,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cc2)no1,PROPDMSUAKMCRU-UHFFFAOYSA-N,2,1,0.608,91,70,434.406,4.049,5,0.398,0.74,1.0,0.8702710575011994,0.8232300733328765,0.6870845041463917,0.6585480775820711,0.7597834281406347
EOS-2-22064,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccc2F)co1,RVGRPMNZLDFXEC-UHFFFAOYSA-N,2,1,0.576,11,595,434.406,4.049,5,0.372,0.71,1.0,0.9286889178260571,0.8191864848194093,0.7491176067438832,0.6877784250565417,0.7961928586114728
EOS-2-22065,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)cc1,QGKBKUOQPXNNDH-UHFFFAOYSA-N,2,1,0.73,1,996,434.406,4.157,5,0.383,0.82,1.0,0.8185011308340758,0.6288465492426838,0.9347885682955246,0.8875162771571516,0.8174131313823589
EOS-2-22066,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cnn(C)c1,BDJMNQJEFGOAAV-UHFFFAOYSA-N,2,1,0.53,13,209,434.406,4.271,5,0.411,0.73,1.0,0.5596086628743746,0.5761085600712769,0.892459392776369,0.8157939825920087,0.7109926495785073
EOS-2-22067,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,GYIWWEBWYMGQLN-UHFFFAOYSA-N,2,1,0.75,1,528,434.406,4.586,5,0.389,0.81,1.0,0.6725121650332396,0.6534593242409704,0.9147248303748886,0.8608046055787815,0.77537523130697
EOS-2-22068,COc1cc(-c2nnc3cncc(Oc4cccc(F)c4F)n23)ccc1-c1cnn(C)c1,NDDCMGVCMPGYHA-UHFFFAOYSA-N,2,1,0.494,13,209,434.406,4.271,5,0.411,0.67,1.0,0.5653313686519087,0.5913576862449456,0.8960917688986362,0.8158025495168254,0.717145843328079
EOS-2-22069,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccc2F)o1,BLXKCFNUAXCARC-UHFFFAOYSA-N,2,1,0.583,35,669,434.406,4.049,5,0.372,0.73,1.0,0.9487012541977932,0.848048454526763,0.7605801521485848,0.6936896031800425,0.8127548660132958
EOS-2-22070,COc1cc(F)cc(Oc2cncc3nnc(-c4cc(-c5cccc(F)c5)n(C)n4)n23)c1,XGYIZRUBGMFKPP-UHFFFAOYSA-N,2,1,0.483,13,266,434.406,4.271,5,0.411,0.8,1.0,0.39534644643958605,0.45737098211226096,0.7919265300527722,0.760365979028168,0.6012524844081968
EOS-2-22071,COc1cc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)ccc1-c1ccn(C)n1,HNWIFSQEFATZIZ-UHFFFAOYSA-N,2,1,0.506,13,209,434.406,4.271,5,0.411,0.75,1.0,0.5709769721060928,0.6151309026111987,0.852460420807347,0.7704749503118361,0.7022608114591186
EOS-2-22072,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)cn1,JKLPCHRTWGAWEA-UHFFFAOYSA-N,2,1,0.773,1,528,434.406,4.586,5,0.389,0.8,1.0,0.5494054554177232,0.6579740936193544,0.930162428894524,0.8818792406277842,0.7548553046398465
EOS-2-22073,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccc2F)o1,CBJXJYAWCCFTLB-UHFFFAOYSA-N,2,1,0.539,11,490,434.406,4.049,5,0.398,0.65,1.0,0.9094219039133713,0.8154427386745254,0.7106007127681447,0.667269207045439,0.7756836406003702
EOS-2-22074,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1cn[nH]c1,HTZGUAIKFGJAGN-UHFFFAOYSA-N,2,1,0.5,43,521,434.406,4.047,5,0.434,0.68,1.0,0.9139795079158385,0.8154513055993421,0.9184942772942225,0.8736806935782332,0.8804014460969091
EOS-2-22075,COc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)c(F)c3)n12,SPEUYDGPYPGHSU-UHFFFAOYSA-N,2,1,0.484,43,521,434.406,4.047,5,0.434,0.7,1.0,0.927275375231307,0.7830254951682544,0.8806113357549175,0.8236327187992598,0.8536362312384347
EOS-2-22076,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1c[nH]cn1,DFDGZNLEKNKIRA-UHFFFAOYSA-N,2,1,0.517,43,383,434.406,4.047,5,0.434,0.66,1.0,0.9461311767527928,0.7395654855732986,0.8949009663491193,0.8376225070248784,0.8545550339250223
EOS-2-22077,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)ccn2)o1,UBHCIMASVMPODX-UHFFFAOYSA-N,2,1,0.612,84,73,434.406,4.049,5,0.398,0.68,1.0,0.8211911452265095,0.6337982317867178,0.7442687272976493,0.6791343979165239,0.71959812555685
EOS-2-22078,Cc1ocnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cn1,IHYWPRUCCLOBHS-UHFFFAOYSA-N,2,1,0.588,89,805,434.406,4.666,5,0.384,0.7,0.999,0.9234630936878898,0.6775923514495237,0.8295181961483106,0.7317181824412309,0.7905729559317387
EOS-2-22079,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cc2F)cc1,LYLRYVDOTQWYBX-UHFFFAOYSA-N,2,1,0.408,83,472,434.396,6.341,5,0.31,0.84,1.0,0.5338222191762045,0.8691145226509492,0.9962905215543828,0.9986035912548832,0.849457713659105
EOS-2-22080,COc1cc(-c2nnc3cncc(OCc4ncc(F)cn4)n23)ccc1-c1nnnn1C,IOEPANCFINOBRH-UHFFFAOYSA-N,2,1,0.488,51,728,434.395,1.498,5,0.387,0.71,1.0,0.5262661914879035,0.43979165238845863,0.08086320334452744,0.0595058597765746,0.27660672674936604
EOS-2-22081,COc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)n1,PTJTYQXFZDITSY-UHFFFAOYSA-N,2,1,0.489,36,6,434.395,1.531,5,0.401,0.64,1.0,0.7088701939551778,0.6430676444383524,0.09747447056404633,0.08039202247961072,0.38245108285929674
EOS-2-22082,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ncon1,OMMHJNOKPGJWRT-UHFFFAOYSA-N,2,1,0.463,49,896,434.391,2.4,5,0.377,0.57,0.992,0.6846686313480913,0.4357394969501748,0.1303286272359674,0.10539887601946406,0.33903390788842436
EOS-2-22083,COc1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ncon1,SFPJANNCSACXCM-UHFFFAOYSA-N,2,1,0.448,49,896,434.391,2.4,5,0.377,0.59,0.999,0.6418682749640189,0.42208381879240625,0.10529607292166404,0.08556644506887807,0.3137036529367418
EOS-2-22084,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)c1,PTWSLCZZLDRXBP-UHFFFAOYSA-N,2,1,0.417,31,773,434.391,2.4,5,0.352,0.55,1.0,0.6964909875950929,0.5293845521211706,0.24271811390583237,0.17520217942567337,0.4109489582619423
EOS-2-22085,COc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)c1,DTMYDGDWWGIBKL-UHFFFAOYSA-N,2,1,0.464,31,237,434.391,2.4,5,0.352,0.6,0.922,0.6633969570283051,0.5339078884243712,0.2003632376122267,0.1414741964224522,0.38478556987183876
EOS-2-22086,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(CO)c(F)c5)n34)nn2)no1,CNUMJMBCNDYAKD-UHFFFAOYSA-N,2,1,0.478,4,677,434.391,2.15,5,0.423,0.68,0.999,0.5938078267425125,0.561870331025975,0.23201802480981426,0.21216846000959497,0.3999661606469742
EOS-2-22087,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1nnco1,NSKPVCGXBNMJNV-UHFFFAOYSA-N,2,1,0.446,49,773,434.391,2.4,5,0.352,0.51,1.0,0.7088787608799945,0.41764615173737235,0.18336645877595778,0.1301401548900007,0.36000788157083136
EOS-2-22088,COc1nc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)ccc1-c1nc(C)no1,HWCLJNOIXGGQRV-UHFFFAOYSA-N,2,1,0.385,49,565,434.391,2.666,5,0.368,0.62,1.0,0.5311921732574875,0.4398002193132753,0.16721780549653897,0.10346275101089712,0.3104182372695497
EOS-2-22089,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)o1,WESZTYIVWWKBBY-UHFFFAOYSA-N,2,1,0.511,65,981,434.391,2.4,5,0.377,0.72,0.971,0.7391542731820986,0.6151394695360154,0.16413371256253856,0.12599376327873346,0.4111053046398465
EOS-2-22090,COc1cc(-c2nnc3cncc(OCc4cc(F)c(C)nn4)n23)ccc1-c1ncno1,MSHQNVOWMVFTPN-UHFFFAOYSA-N,2,1,0.462,36,248,434.391,2.666,5,0.394,0.63,1.0,0.5994277294222465,0.4976954972243164,0.27146014666575286,0.17521074635049003,0.38594852991570144
EOS-2-22091,COc1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1nnco1,XWKICLLNHWNSBL-UHFFFAOYSA-N,2,1,0.429,49,501,434.391,2.4,5,0.377,0.59,0.995,0.5966434788568296,0.3843208142005346,0.11911452265094921,0.09313960660681242,0.2983046055787814
EOS-2-22092,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ncon1,MCNRNRJLFRDIMJ-UHFFFAOYSA-N,2,1,0.451,49,896,434.391,2.4,5,0.352,0.51,1.0,0.7088873278048112,0.43574806387499143,0.16722637242135563,0.12163319854704956,0.35837374066205196
EOS-2-22093,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncon1,USJVFUDEZFYJGA-UHFFFAOYSA-N,2,1,0.452,18,896,434.391,2.4,5,0.377,0.53,1.0,0.6934497292851758,0.4264101158248235,0.18012816119525735,0.1367109862243849,0.3591747481324104
EOS-2-22094,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)c(F)n4)n23)n1,FZIJDVHGCFJVNJ-UHFFFAOYSA-N,2,1,0.406,49,814,434.391,2.4,5,0.352,0.64,0.985,0.5289562058803372,0.4081625659653211,0.1483877047495031,0.1012867521074635,0.2966983071756562
EOS-2-22095,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1noc(C)n1,LVWDIHZHCKATFE-UHFFFAOYSA-N,2,1,0.406,46,896,434.391,2.666,5,0.394,0.68,1.0,0.6219758755397162,0.45293331505722706,0.142459392776369,0.09708039202247962,0.328612243848948
EOS-2-22096,Fc1cc(F)c(F)c(-n2cc(-c3cncc4nnc(-c5cnc(C6CC6)nc5)n34)cn2)c1,OSWQBJYMMIMWLG-UHFFFAOYSA-N,2,1,0.276,50,450,434.385,3.729,6,0.401,0.7,1.0,0.06979473648139264,0.2196645192241793,0.45909293400041123,0.6529196079775204,0.3503679494208759
EOS-2-22097,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)c2)cc1,CBJPXYKMPZMYGT-UHFFFAOYSA-N,2,1,0.5,59,137,434.381,4.245,5,0.412,0.7,1.0,0.7860410527037215,0.8541481049962305,0.9347971352203414,0.9347800013707079,0.8774415735727503
EOS-2-22098,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)nn1,ULYBVPUCTLYMQC-UHFFFAOYSA-N,2,1,0.736,43,613,434.381,4.245,5,0.412,0.73,1.0,0.9796963881844973,0.9725001713384963,0.9374528819135083,0.9281577684874237,0.9544518024809814
EOS-2-22099,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nn2)cc1,VMKSGEGRYNXFFZ-UHFFFAOYSA-N,2,1,0.685,34,691,434.381,4.245,5,0.412,0.81,1.0,0.9310876567747242,0.9025597971352204,0.920361866904256,0.9305051058871907,0.9211286066753478
EOS-2-22100,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)c1,GMOUBLZUWHHEPW-UHFFFAOYSA-N,2,1,0.506,19,691,434.381,4.245,5,0.412,0.77,1.0,0.8082293879788911,0.8114762524844082,0.8973596737715029,0.9177917894592557,0.8587142759235145
EOS-2-22101,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)cc1F,VBPYOIHRSVANBH-UHFFFAOYSA-N,2,1,0.726,59,13,434.381,4.245,5,0.412,0.7,1.0,0.9784027825371805,0.9632050579124117,0.9646785689808787,0.9594955794667946,0.9664454972243164
EOS-2-22102,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)c4)n23)cc1F,XFMIWCNGFJLBAF-UHFFFAOYSA-N,2,1,0.636,59,13,434.381,4.245,5,0.412,0.69,1.0,0.9714207388115962,0.957705092180111,0.9641645534918786,0.9588016585566445,0.9630230107600576
EOS-2-22103,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(F)c5F)n4)n23)cc1,QLYLWMNTGQOPOJ-UHFFFAOYSA-N,2,1,0.568,34,929,434.381,4.245,5,0.412,0.8,1.0,0.9385237475155918,0.9529590158316771,0.9090792269207045,0.9167551915564389,0.9293292954561031
EOS-2-22104,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2F)nc1,OECNLXLPPQMLJG-UHFFFAOYSA-N,2,1,0.578,59,71,434.381,4.245,5,0.412,0.72,1.0,0.8238040572955931,0.8853402782537181,0.9137396340209718,0.9146220272770886,0.8843764992118429
EOS-2-22105,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccccc5F)n34)ncc2F)cn1,QKQHCGGLLZWZTH-UHFFFAOYSA-N,2,1,0.429,59,153,434.381,4.245,5,0.385,0.77,1.0,0.8387619080254952,0.7995596600644232,0.9285861147282571,0.9281663354122405,0.873768504557604
EOS-2-22106,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,MRUJDJUWSBCLDI-UHFFFAOYSA-N,2,1,0.58,59,153,434.381,4.245,5,0.385,0.74,1.0,0.8659276266191488,0.8154598725241587,0.9424216983071757,0.9347885682955246,0.8896494414365019
EOS-2-22107,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2)nc1,XYBFLNZTEMVIIZ-UHFFFAOYSA-N,2,1,0.524,59,469,434.381,4.245,5,0.412,0.74,1.0,0.8784953053252005,0.9050784730313207,0.9193852374751559,0.9101672263724213,0.9032815605510246
EOS-2-22108,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)cn1,ZKHXSVVKYDEHJW-UHFFFAOYSA-N,2,1,0.757,59,96,434.381,4.245,5,0.385,0.71,1.0,0.9849050784730313,0.9706839832773627,0.9514598039887602,0.9365362209581248,0.9608962716743198
EOS-2-22109,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc(F)c1F,UALWUUWDDMGKQO-UHFFFAOYSA-N,2,1,0.519,59,294,434.381,4.245,5,0.385,0.78,1.0,0.8764649441436502,0.8270080871770269,0.9409139195394421,0.9293400041121239,0.8934317387430607
EOS-2-22110,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ccc2F)cn1,BRPNRZFGGIBFGO-UHFFFAOYSA-N,2,1,0.483,13,145,434.381,4.766,5,0.406,0.75,1.0,0.8659361935439654,0.8880302926461517,0.9285946816530738,0.9167637584812556,0.8998312315811117
EOS-2-22111,FC(F)(F)Oc1cccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,CRWINDOFHHYYCX-UHFFFAOYSA-N,2,1,0.425,96,558,434.381,4.814,5,0.404,0.87,1.0,0.5262747584127202,0.7529812898362004,0.9853505585634981,0.9712494003152629,0.8089640017819204
EOS-2-22112,Fc1ccc(F)c(-c2ccc(COc3cncc4nnc(-c5ncccc5F)n34)nc2)c1,IVGYSBPQMVVDLO-UHFFFAOYSA-N,2,1,0.529,34,71,434.381,4.245,5,0.412,0.71,1.0,0.6331642793502844,0.7117658145432115,0.8831899801247344,0.8942413131382358,0.7805903467891165
EOS-2-22113,Fc1cnccc1COc1cncc2nnc(-c3cccc(-c4ccncc4F)c3F)n12,XKASSIZILPFYTF-UHFFFAOYSA-N,2,1,0.482,97,89,434.381,4.245,5,0.412,0.68,1.0,0.8591083544650813,0.8541566719210473,0.9442036186690426,0.9390634637790419,0.8991330272085533
EOS-2-22114,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCc3c(F)cccc3F)n12,OORWWSPLIBNUET-UHFFFAOYSA-N,2,1,0.5,34,146,434.381,4.245,5,0.412,0.69,1.0,0.8859827976149681,0.9282263038859571,0.9502004660407101,0.9499605921458433,0.9285925399218696
EOS-2-22115,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)cc1F,QVLBNILWQYJQKU-UHFFFAOYSA-N,2,1,0.722,59,13,434.381,4.245,5,0.412,0.69,1.0,0.9767407991227469,0.9577136591049277,0.9637276403262285,0.957705092180111,0.9639717976835035
EOS-2-22116,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)nn1,XSJTYQRBFQXWLI-UHFFFAOYSA-N,2,1,0.529,43,613,434.381,4.245,5,0.412,0.67,1.0,0.8841923103282846,0.9153502158865053,0.9275238160509903,0.9210215201151395,0.91202196559523
EOS-2-22117,Fc1ccc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)cc1-c1cncnc1,QKKFWJVHRNFLCK-UHFFFAOYSA-N,2,1,0.543,59,332,434.381,4.245,5,0.412,0.73,1.0,0.9564114865327942,0.9387893221849085,0.9553834555547941,0.9530618189294771,0.9509115208004935
EOS-2-22118,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)c(F)c5)n4)n23)cc1,VNHYUSLWCBCAQY-UHFFFAOYSA-N,2,1,0.595,34,929,434.381,4.245,5,0.412,0.77,1.0,0.935551024604208,0.9638647111232952,0.9166523884586388,0.923120416695223,0.9347971352203412
EOS-2-22119,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)cc1F,ZSZJQBOMVCEANO-UHFFFAOYSA-N,2,1,0.61,19,691,434.381,4.245,5,0.412,0.77,1.0,0.9032194503461037,0.8633575491741484,0.9127887053663217,0.9262387773284901,0.901401120553766
EOS-2-22120,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cc2)nc1,VPBCYMRBVZKQHH-UHFFFAOYSA-N,2,1,0.512,59,526,434.381,4.245,5,0.412,0.74,1.0,0.8842008772531013,0.882581728462751,0.8924679597011856,0.890189157699952,0.8873599307792475
EOS-2-22121,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cn1,XHUBZGMWQNAPGR-UHFFFAOYSA-N,2,1,0.506,59,884,434.381,4.245,5,0.385,0.73,1.0,0.8680179562744157,0.8774844081968337,0.9508258515523268,0.9439723116989925,0.9100751319306422
EOS-2-22122,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)c(F)cn5)cn4)n23)cc1,MWVBYAFRVHTLTH-UHFFFAOYSA-N,2,1,0.573,34,929,434.381,4.245,5,0.412,0.68,1.0,0.909430470838188,0.9311904598725241,0.9233431567404564,0.9167723254060722,0.9201841032143102
EOS-2-22123,Fc1cncc(COc2cncc3nnc(-c4cccnc4-c4ccc(F)c(F)c4)n23)c1,AHUPMYQQZPEPTR-UHFFFAOYSA-N,2,1,0.512,59,89,434.381,4.245,5,0.412,0.69,1.0,0.880439997258584,0.8659533273935988,0.9137482009457885,0.9146305942019053,0.8936930299499691
EOS-2-22124,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)cn5)c4)n23)cc1,MQLZXASPLFGFOC-UHFFFAOYSA-N,2,1,0.671,34,232,434.381,4.245,5,0.412,0.77,1.0,0.9806216160646974,0.9706925502021794,0.9340689466109245,0.9293485710369406,0.9536829209786855
EOS-2-22125,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nc4)n23)nc1,RWNLHWFKWZLMCV-UHFFFAOYSA-N,2,1,0.536,59,801,434.381,4.245,5,0.412,0.72,1.0,0.8238126242204098,0.9050870399561374,0.922400795010623,0.9178003563840724,0.8922752038928106
EOS-2-22126,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)cn1,MBLNXRITRWRAGG-UHFFFAOYSA-N,2,1,0.684,59,294,434.381,4.245,5,0.385,0.78,1.0,0.9540727160578438,0.9282348708107737,0.9455400589404427,0.9347971352203414,0.9406611952573504
EOS-2-22127,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)cc4)n23)c1,AEXGJIAANQSOOB-UHFFFAOYSA-N,2,1,0.56,1,22,434.381,4.245,5,0.385,0.71,1.0,0.8680265231992325,0.9171835377972722,0.9090877938455212,0.8984562401480365,0.8981885237475156
EOS-2-22128,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)nn1,BGXCGWRZLVCPHS-UHFFFAOYSA-N,2,1,0.684,43,613,434.381,4.245,5,0.412,0.74,1.0,0.944400657939826,0.9387978891097252,0.932458364745391,0.92513364402714,0.9351976389555205
EOS-2-22129,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,HKXXIMNHQAYNEA-UHFFFAOYSA-N,2,1,0.667,59,884,434.381,4.245,5,0.385,0.74,1.0,0.9234716606127065,0.9153587828113221,0.9553920224796107,0.9478359947913098,0.9355146151737372
EOS-2-22130,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cn2)cc1,HQCIPHKRQLZLEW-UHFFFAOYSA-N,2,1,0.483,34,801,434.381,4.245,5,0.412,0.78,1.0,0.794410938249606,0.8774929751216504,0.8912257556027688,0.8984648070728531,0.8653986190117195
EOS-2-22131,O=c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nc2)c[nH]1,QOUUTGCZKNRKTB-UHFFFAOYSA-N,2,1,0.359,96,680,434.381,4.227,5,0.459,0.77,1.0,0.5006082516619834,0.5479833458981564,0.9840997875402645,0.9682338427797957,0.75023130697005
EOS-2-22132,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnn5)c4)n23)cc1F,RHPPPYPEMLZCGN-UHFFFAOYSA-N,2,1,0.628,34,13,434.381,4.245,5,0.412,0.77,1.0,0.9686364882461792,0.9623055308066616,0.9477931601672264,0.9447604687821259,0.9558739120005483
EOS-2-22133,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)nc1,CZXUYAPSNYVXTQ-UHFFFAOYSA-N,2,1,0.575,59,692,434.381,4.245,5,0.412,0.75,1.0,0.8157168802686587,0.7442001918991159,0.9268041943663903,0.9222551572887396,0.8522441059557261
EOS-2-22134,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ccn2)cc1F,JYSGUUQLRZUUHY-UHFFFAOYSA-N,2,1,0.549,59,577,434.381,4.245,5,0.412,0.69,1.0,0.9412737303817422,0.8907288739634021,0.9461397436776094,0.9407854156671921,0.9297319409224865
EOS-2-22135,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)n23)c(F)c1F,AHBJMYQOCRGOIY-UHFFFAOYSA-N,2,1,0.529,59,436,434.381,4.245,5,0.385,0.77,1.0,0.80008224247824,0.8800887533411007,0.9090963607703378,0.8929562744157358,0.8705559077513536
EOS-2-22136,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cn4)n23)c1,WEMCHSCKWZDNLD-UHFFFAOYSA-N,2,1,0.477,59,153,434.381,4.245,5,0.412,0.74,1.0,0.887893221849085,0.8232386402576931,0.9340775135357412,0.9329723802343911,0.8945454389692276
EOS-2-22137,Fc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)n1,DIAXONDLBUYWKR-UHFFFAOYSA-N,2,1,0.548,59,89,434.381,4.245,5,0.385,0.52,1.0,0.9477931601672264,0.9465680899184429,0.9324669316702077,0.9242341169213899,0.9377655746693168
EOS-2-22138,Fc1cccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)c(F)cn4)n23)c1,LCYFFNMJOCKHLE-UHFFFAOYSA-N,2,1,0.565,97,71,434.381,4.245,5,0.385,0.7,1.0,0.7272462476869302,0.8443989445548626,0.92505654170379,0.9210300870399561,0.8544329552463847
EOS-2-22139,Fc1ccnc(-c2cncc(COc3cncc4nnc(-c5cc(F)ccc5F)n34)c2)c1,GNQOAVNRJHVDCG-UHFFFAOYSA-N,2,1,0.461,59,89,434.381,4.245,5,0.412,0.64,1.0,0.8637858954149819,0.8341614693989445,0.9286032485778904,0.9293571379617572,0.8889769378383935
EOS-2-22140,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5c(F)cccc5F)n34)c2)nc1,ULJMIDAFMHVNSY-UHFFFAOYSA-N,2,1,0.471,59,671,434.381,4.245,5,0.412,0.66,1.0,0.8967514221095195,0.8375368377767116,0.9119063121102049,0.9113066273730381,0.8893752998423685
EOS-2-22141,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)cn1,PDFFVTUKPJRBBY-UHFFFAOYSA-N,2,1,0.529,59,436,434.381,4.245,5,0.385,0.73,1.0,0.9032280172709204,0.9400315262833253,0.9157528613528888,0.9066976218216709,0.9164275066822014
EOS-2-22142,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)cc2)nc1,UCBYBHWJANATJO-UHFFFAOYSA-N,2,1,0.53,97,666,434.381,4.245,5,0.385,0.72,1.0,0.967145843328079,0.9329124117606744,0.9301709958193407,0.9178089233088891,0.9370095435542458
EOS-2-22143,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)nc1,DXMLIQPFFJCZEO-UHFFFAOYSA-N,2,1,0.465,59,332,434.381,4.245,5,0.412,0.72,1.0,0.8967599890343362,0.8306747309985607,0.927532382975807,0.927301076005757,0.8955670447536153
EOS-2-22144,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(F)c5F)nn4)n23)cc1,PCJHLACOCCWKDC-UHFFFAOYSA-N,2,1,0.575,34,372,434.381,4.245,5,0.412,0.79,1.0,0.9385323144404085,0.9529675827564937,0.9061322047837708,0.9156928928791721,0.9283312487149613
EOS-2-22145,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncccn5)n34)ccc2F)cc1F,IYUJFROZRSEERQ-UHFFFAOYSA-N,2,1,0.531,59,210,434.381,4.245,5,0.412,0.74,1.0,0.9557432663970941,0.9606521143170448,0.9185028442190392,0.9189654581591392,0.9384659207730793
EOS-2-22146,Fc1ccnc(COc2cncc3nnc(-c4cc(F)c(-c5cccnc5)c(F)c4)n23)c1,BCCBEUBLNQGZEA-UHFFFAOYSA-N,2,1,0.68,59,71,434.381,4.245,5,0.412,0.65,1.0,0.7914810499623055,0.871933040915633,0.9224093619354397,0.920002056061956,0.8764563772188336
EOS-2-22147,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccc(F)cc5F)n4)n23)cc1,IMNCDJHPUVKNDC-UHFFFAOYSA-N,2,1,0.57,34,210,434.381,4.245,5,0.412,0.79,1.0,0.9681824412308958,0.9670516071550956,0.8806199026797341,0.8957747926804195,0.9279071859365362
EOS-2-22148,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nc2)cn1,OOLWLFGNGQNYSJ-UHFFFAOYSA-N,2,1,0.61,59,294,434.381,4.245,5,0.385,0.77,1.0,0.9355595915290248,0.8825902953875677,0.9415735727503255,0.9338547734905078,0.9233945582893565
EOS-2-22149,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)nc1,ZIHMPBZHYXXQNR-UHFFFAOYSA-N,2,1,0.628,59,294,434.381,4.245,5,0.412,0.77,1.0,0.9166009869097389,0.8853488451785347,0.9415821396751423,0.9365447878829415,0.9200191899115894
EOS-2-22150,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5F)nc4)n23)cc1F,LRIBJRYBGMSLSE-UHFFFAOYSA-N,2,1,0.633,59,294,434.381,4.245,5,0.385,0.8,1.0,0.9511171269960935,0.9442721540675759,0.934805702145158,0.9222637242135563,0.9381146768555959
EOS-2-22151,Fc1cc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)ccn1,ZWLNUCFEZMIPHJ-UHFFFAOYSA-N,2,1,0.518,59,137,434.381,4.245,5,0.385,0.65,1.0,0.8952008087177027,0.8933332191076692,0.9520594887259269,0.9464310191213762,0.9217561339181687
EOS-2-22152,Fc1cccc(-c2nnc3cncc(OCc4nccc(-c5ccc(F)c(F)c5)n4)n23)c1,HTMLXPUNXXOTPL-UHFFFAOYSA-N,2,1,0.541,34,210,434.381,4.245,5,0.412,0.76,1.0,0.870279624426016,0.9189740250839559,0.8856144198478514,0.8957833596052361,0.8926628572407649
EOS-2-22153,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cn4)n23)nc1,GOPSATOSHNLAKA-UHFFFAOYSA-N,2,1,0.483,59,162,434.381,4.245,5,0.412,0.74,1.0,0.7659430470838188,0.8154684394489754,0.9185114111438558,0.9178174902337057,0.8544350969775889
EOS-2-22154,Fc1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)n2)cc1,ROIDFTXPUAYXOS-UHFFFAOYSA-N,2,1,0.556,34,929,434.381,4.245,5,0.412,0.78,1.0,0.9310962236995408,0.9598296895346446,0.8806284696045508,0.8901977246247686,0.9154380268658762
EOS-2-22155,Fc1cnnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)c1,ZCLFYPBYDKGJJU-UHFFFAOYSA-N,2,1,0.667,43,11,434.381,4.245,5,0.412,0.64,1.0,0.9365619217325749,0.9189825920087725,0.9394918100198753,0.9373757795901583,0.9331030258378452
EOS-2-22156,Fc1cncc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)c(F)c5)c4)n23)c1,HYXMVVVRKWJKFZ-UHFFFAOYSA-N,2,1,0.554,59,89,434.381,4.245,5,0.412,0.67,1.0,0.947801727092043,0.8880388595709684,0.9395003769446919,0.934805702145158,0.9275366664382153
EOS-2-22157,Fc1cnnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)c1,NUIHAOSHZYOEDO-UHFFFAOYSA-N,2,1,0.517,43,521,434.381,4.245,5,0.412,0.59,1.0,0.8822647522445343,0.877501542046467,0.9332722226029745,0.9348142690699747,0.9069631964909876
EOS-2-22158,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)cc1,UBINARPMKDVQBC-UHFFFAOYSA-N,2,1,0.582,34,210,434.381,4.245,5,0.412,0.74,1.0,0.9618857514906449,0.9707011171269961,0.8912343225275855,0.9010091837434034,0.9312075937221574
EOS-2-22159,Fc1ccc(-c2nc(COc3cncc4nnc(-c5cccc(F)c5)n34)ncc2F)cc1,RITKNSUURWWLHZ-UHFFFAOYSA-N,2,1,0.529,34,210,434.381,4.245,5,0.412,0.77,1.0,0.8842094441779179,0.9189911589335892,0.8312315811116442,0.8656791857994655,0.8750278425056541
EOS-2-22160,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)nc5)c4)n23)c(F)c1,AUEMBKJZLAHFLO-UHFFFAOYSA-N,2,1,0.529,97,91,434.381,4.245,5,0.385,0.71,1.0,0.9166095538345556,0.9311990267973408,0.9424302652319924,0.9373843465149749,0.9319057980947159
EOS-2-22161,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cn1,TVUCQMNYZAGZTO-UHFFFAOYSA-N,2,1,0.527,96,121,434.381,4.656,5,0.375,0.83,1.0,0.6080117880885477,0.860479062435748,0.9602237680762113,0.9478445617161264,0.8441397950791584
EOS-2-22162,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)ccn2)nc1,MSUMGQAKWHPKDH-UHFFFAOYSA-N,2,1,0.53,59,146,434.381,4.245,5,0.412,0.69,1.0,0.9511256939209102,0.9454372558426427,0.9119148790350216,0.9089592899732712,0.9293592796929615
EOS-2-22163,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnccn5)c4)n23)cc1F,BFPNPOIJGFMZPZ-UHFFFAOYSA-N,2,1,0.645,59,13,434.381,4.245,5,0.412,0.7,1.0,0.9720632581728462,0.9606606812418614,0.9508344184771435,0.9447690357069426,0.9570818483996985
EOS-2-22164,COc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(F)c(F)c5F)n34)n2)c1,DTCUFLXHHKWEIN-UHFFFAOYSA-N,2,1,0.322,45,140,434.381,4.341,5,0.392,0.65,1.0,0.5568929477074909,0.692284627510109,0.9233517236652731,0.8997327119457199,0.7680655027071482
EOS-2-22165,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)nc1,DLMOIYLDTXFXCK-UHFFFAOYSA-N,2,1,0.507,96,121,434.381,4.656,5,0.401,0.83,1.0,0.6360941676375849,0.8444075114796793,0.9366304571311083,0.9262473442533068,0.8358448701254197
EOS-2-22166,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)nc2)cc1,INHFRNDXGGWTBA-UHFFFAOYSA-N,2,1,0.433,34,560,434.381,4.245,5,0.412,0.76,1.0,0.7453395928997327,0.7785107257898705,0.8867109862243849,0.8997412788705367,0.8275756459461311
EOS-2-22167,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)c1,MGMJFCCSXAKNLL-UHFFFAOYSA-N,2,1,0.494,59,560,434.381,4.245,5,0.412,0.72,1.0,0.6192601603728326,0.7254300596257968,0.9203704338290727,0.9231289836200397,0.7970474093619355
EOS-2-22168,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cncc(Oc5ccccc5)c4)n23)cn1,PQKUBSCONLGGLI-UHFFFAOYSA-N,2,1,0.449,96,586,434.381,5.059,5,0.394,0.79,1.0,0.5030583921595504,0.6824240970461243,0.9709838256459461,0.9338633404153245,0.7725824138167363
EOS-2-22169,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)nn2)c1,TWGJMNILBFTILI-UHFFFAOYSA-N,2,1,0.541,34,146,434.381,4.245,5,0.412,0.78,1.0,0.8725241587279831,0.9189997258584058,0.8888955520526352,0.9067061887464876,0.8967814063463779
EOS-2-22170,Fc1cccc(Oc2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)c1,XKMCVAVDNFTMGC-UHFFFAOYSA-N,2,1,0.402,96,586,434.381,5.117,5,0.382,0.8,0.995,0.45199952025221024,0.7701322733191693,0.9395089438695086,0.922272291138373,0.7709782571448153
EOS-2-22171,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)c1,WVYVTSXNEFEAOB-UHFFFAOYSA-N,2,1,0.568,43,613,434.381,4.245,5,0.412,0.69,1.0,0.9671544102528956,0.9508087177026935,0.9309077513535742,0.9262559111781234,0.9437816976218216
EOS-2-22172,Fc1ccc(-c2ccnnc2COc2cncc3nnc(-c4cccc(F)c4F)n23)cc1,QAXWOYBFZAHEJJ-UHFFFAOYSA-N,2,1,0.5,34,146,434.381,4.245,5,0.412,0.8,1.0,0.797169488040573,0.905095606880954,0.9091049276951545,0.9200106229867727,0.8828451614008636
EOS-2-22173,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)nc1,BBGGFSAOFMBYDQ-UHFFFAOYSA-N,2,1,0.5,59,560,434.381,4.245,5,0.412,0.73,1.0,0.6601757932972381,0.734836543074498,0.9193938043999725,0.9200191899115894,0.8086063326708246
EOS-2-22174,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)c(F)c1,NIEZMPKOTPCMLV-UHFFFAOYSA-N,2,1,0.568,43,613,434.381,4.245,5,0.412,0.7,1.0,0.9637533411006785,0.9539356452607772,0.9309163182783908,0.9251422109519567,0.9434368788979508
EOS-2-22175,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nn2)c1,MEWWXFPQXPGQFN-UHFFFAOYSA-N,2,1,0.554,34,372,434.381,4.245,5,0.412,0.75,1.0,0.9094390377630046,0.9454458227674594,0.9061407717085875,0.9167808923308889,0.9194516311424851
EOS-2-22176,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2F)cn1,WPQCETZGRSDWFM-UHFFFAOYSA-N,2,1,0.561,97,31,434.381,4.245,5,0.385,0.72,1.0,0.8362774998286615,0.8775101089712837,0.9224179288602563,0.9133455554794051,0.8873877732849016
EOS-2-22177,Fc1cc(F)cc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)nc4)n23)c1,GWUCARACJILGTR-UHFFFAOYSA-N,2,1,0.536,59,89,434.381,4.245,5,0.385,0.75,1.0,0.8107137961757248,0.8410150092522788,0.9275409499006236,0.9167894592557055,0.8740148036460832
EOS-2-22178,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)n1,FMLXMFXCYITRPE-UHFFFAOYSA-N,2,1,0.513,96,121,434.381,4.656,5,0.375,0.8,1.0,0.6108131725035981,0.844416078404496,0.9436296347063258,0.9314474676170242,0.832576588307861
EOS-2-22179,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nc5)n4)n23)c(F)c1,JGLFUASPXOLOHD-UHFFFAOYSA-N,2,1,0.517,34,436,434.381,4.245,5,0.385,0.78,1.0,0.8336645877595779,0.9208758823932561,0.8994585703515866,0.8957919265300528,0.8874477417586183
EOS-2-22180,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cn2)cc1,NIVXNBQPRPEOSQ-UHFFFAOYSA-N,2,1,0.5,59,801,434.381,4.245,5,0.412,0.74,1.0,0.8055051058871907,0.8933417860324858,0.9194023713247893,0.9178260571585224,0.884018830100747
EOS-2-22181,Fc1cncc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)c1,ICNGKGOIDNCSCB-UHFFFAOYSA-N,2,1,0.494,2,884,434.381,4.245,5,0.412,0.75,1.0,0.8680350901240491,0.8480570214515798,0.9496693167020767,0.9478531286409431,0.9034036392296622
EOS-2-22182,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)c2)c1,WNBQFTQEUAMDET-UHFFFAOYSA-N,2,1,0.429,59,153,434.381,4.245,5,0.412,0.76,1.0,0.7453481598245494,0.7117743814680282,0.9348142690699747,0.9365533548077583,0.8321225412925776
EOS-2-22183,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)nc1,KJMFEZIMEKYGJJ-UHFFFAOYSA-N,2,1,0.536,59,137,434.381,4.245,5,0.412,0.74,1.0,0.7484236858337331,0.8541652388458639,0.9366390240559249,0.9348228359947913,0.8685126961825783
EOS-2-22184,Fc1ccc(F)c(-c2nnc3cncc(OCc4ccc(-c5cccc(F)n5)nc4)n23)c1,GLDBKHRNXXTYEV-UHFFFAOYSA-N,2,1,0.488,59,389,434.381,4.245,5,0.385,0.67,1.0,0.8984990747721198,0.8633661160989651,0.8994671372764033,0.8942498800630526,0.8888955520526352
EOS-2-22185,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cn1,GMLJVFWBBLPSAM-UHFFFAOYSA-N,2,1,0.5,59,910,434.381,4.245,5,0.412,0.75,1.0,0.9063892125282709,0.9112380919745048,0.9091134946199713,0.9056952916181208,0.908109022685217
EOS-2-22186,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)nc1,XAMNFNCAUSZOKL-UHFFFAOYSA-N,2,1,0.58,97,71,434.381,4.245,5,0.385,0.71,1.0,0.8185096977588925,0.8907374408882187,0.9309248852032075,0.9242426838462066,0.8911036769241314
EOS-2-22187,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(F)c(F)c5)cn4)n23)cc1,QFTGOSRXYMMKGW-UHFFFAOYSA-N,2,1,0.603,34,929,434.381,4.245,5,0.412,0.67,1.0,0.9423531629086424,0.9670601740799123,0.919410938249606,0.9222808580631896,0.9377762833253376
EOS-2-22188,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)cn4)n23)c(F)c1,HIRWFQMNOJIPKM-UHFFFAOYSA-N,2,1,0.575,97,71,434.381,4.245,5,0.385,0.69,1.0,0.8387704749503119,0.9246024946885066,0.9286118155027071,0.9210386539647728,0.9032558597765746
EOS-2-22189,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccccc5)n4)n23)cc1F,PCZRASCPLHWFDA-UHFFFAOYSA-N,2,1,0.561,57,210,434.381,4.245,5,0.412,0.73,1.0,0.9564200534576108,0.9587245562332944,0.8312401480364608,0.8540624357480638,0.9001117983688575
EOS-2-22190,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(F)nn5)c4)n23)cc1,LFLUUGBKJMOCBR-UHFFFAOYSA-N,2,1,0.689,43,372,434.381,4.245,5,0.412,0.7,1.0,0.9814868754711809,0.9699472277431294,0.9301795627441574,0.9293657048865739,0.9527448427112604
EOS-2-22191,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,IWXBXKTXVLWIRF-UHFFFAOYSA-N,2,1,0.506,96,121,434.381,4.656,5,0.375,0.8,1.0,0.6052018367486807,0.8604876293605648,0.9533959289973272,0.9407939825920087,0.8399698444246454
EOS-2-22192,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cccnc5F)ccn4)n23)c1F,WSBNTLOTFVYWKL-UHFFFAOYSA-N,2,1,0.435,59,153,434.381,4.245,5,0.385,0.67,0.997,0.8336731546843945,0.752989856761017,0.9309334521280241,0.9242512507710232,0.8604619285861148
EOS-2-22193,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2)cn1,MBUVCZARIQFPDF-UHFFFAOYSA-N,2,1,0.524,97,22,434.381,4.245,5,0.385,0.69,1.0,0.8567952847645809,0.9072202042354877,0.9360222054691248,0.9251507778767734,0.9062971180864916
EOS-2-22194,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nc4)n23)cn1,MEKFEAQVLDYVEK-UHFFFAOYSA-N,2,1,0.542,59,89,434.381,4.245,5,0.385,0.74,1.0,0.9110239188540882,0.9190082927832225,0.9388835583578918,0.9281749023370571,0.9242726680830649
EOS-2-22195,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)nc1,BSQMAXQKCUMNHN-UHFFFAOYSA-N,2,1,0.573,59,13,434.381,4.245,5,0.412,0.79,1.0,0.9763381536563636,0.9568912343225275,0.8961003358234528,0.8958004934548695,0.9312825543143033
EOS-2-22196,Fc1ccc(-c2nnc3cncc(OCc4ccncc4-c4ncccc4F)n23)c(F)c1,VUEQFOHLRRWJLV-UHFFFAOYSA-N,2,1,0.511,59,146,434.381,4.245,5,0.412,0.75,1.0,0.937564251936125,0.9329209786854911,0.9091220615447879,0.9113151942978548,0.9227306216160647
EOS-2-22197,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(OC(F)F)nc5)nc4)n23)cc1,YWQMGQRBLNOZIR-UHFFFAOYSA-N,2,1,0.407,96,46,434.381,4.656,5,0.401,0.86,1.0,0.6568089918442875,0.90016962511137,0.9514683709135768,0.939911589335892,0.8620896443012817
EOS-2-22198,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)c1,MMBKPUUNDXXBNH-UHFFFAOYSA-N,2,1,0.507,96,680,434.381,4.656,5,0.401,0.83,1.0,0.6080203550133644,0.8633746830237817,0.9587759577821945,0.9524535672674936,0.8456561407717086
EOS-2-22199,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cn4)n23)c(F)c1F,GWEUWLUUBXJLMC-UHFFFAOYSA-N,2,1,0.595,59,71,434.381,4.245,5,0.385,0.74,1.0,0.8133010074703585,0.8933503529573025,0.9340860804605579,0.9189740250839559,0.8899278664930437
EOS-2-22200,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)nc4)n23)c(F)c1,VIMKRUIFSUDIMG-UHFFFAOYSA-N,2,1,0.535,59,89,434.381,4.245,5,0.385,0.78,1.0,0.9110324857789048,0.9264015489000068,0.9275495168254403,0.917834624083339,0.9207045438969228
EOS-2-22201,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nc2)cn1,GRUQLUDBHOZWAY-UHFFFAOYSA-N,2,1,0.595,59,71,434.381,4.245,5,0.385,0.69,1.0,0.8785038722500171,0.9388064560345418,0.940245699403742,0.9293742718113905,0.9217325748749229
EOS-2-22202,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)nc2)c1,OWPVWJURJREKEG-UHFFFAOYSA-N,2,1,0.467,59,469,434.381,4.245,5,0.412,0.81,1.0,0.684677198272908,0.7658916455349187,0.9109382496059215,0.9157014598039888,0.8193021383044343
EOS-2-22203,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)c1,LLRIDDBWUWYJAM-UHFFFAOYSA-N,2,1,0.585,97,71,434.381,4.245,5,0.385,0.68,1.0,0.7914896168871222,0.8775186758961003,0.9324754985950243,0.9281834692618738,0.88241681516003
EOS-2-22204,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cn1,GDXXIBUNODGXQB-UHFFFAOYSA-N,2,1,0.658,59,294,434.381,4.245,5,0.385,0.78,1.0,0.9540812829826606,0.9487012541977932,0.9429956822698924,0.932149955451991,0.9444820437255843
EOS-2-22205,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)c1,VQURTZSUSYIUPV-UHFFFAOYSA-N,2,1,0.529,43,613,434.381,4.245,5,0.412,0.72,1.0,0.8914656294976355,0.9001781920361867,0.9250651086286067,0.9231375505448565,0.9099616201768214
EOS-2-22206,N#Cc1cncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)o2)c1,HKRQLFQXBWSRQC-UHFFFAOYSA-N,2,1,0.341,98,63,434.379,2.825,6,0.401,0.7,1.0,0.1885494482900418,0.21967308614899594,0.2678963059420191,0.2885597285998218,0.24116964224521967
EOS-2-22207,Oc1cc(F)ccc1Oc1cncc2nnc(-c3ccc(-c4ccc(F)c(F)c4)cc3)n12,DKJPUGUXVHQZLC-UHFFFAOYSA-N,2,1,0.525,83,163,434.377,5.374,5,0.412,0.73,1.0,0.9661178123500788,0.9632136248372284,0.9823692687272977,0.982000890960181,0.9734253992186964
EOS-2-22208,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnnnc5)n4)n23)cn1,MPTUHSWRHFPPPF-UHFFFAOYSA-N,2,1,0.447,92,535,434.37,2.345,5,0.392,0.66,0.928,0.5709855390309094,0.5571242546775409,0.4872010143238983,0.39608320197381947,0.502848502501542
EOS-2-22209,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnnnc5)cn4)n23)cn1,ZUGNCOVKJWPZQA-UHFFFAOYSA-N,2,1,0.457,92,535,434.37,2.345,5,0.392,0.64,1.0,0.5908179699814955,0.5618788979507916,0.49708724556233297,0.3931447467617024,0.5107322150640806
EOS-2-22210,FC(F)c1ccc(-c2nnc3cncc(OCc4ncnc(-c5cccnn5)n4)n23)cn1,XMFDXSNVHQJVKP-UHFFFAOYSA-N,2,1,0.416,27,839,434.37,2.345,5,0.392,0.61,0.823,0.5878795147693784,0.5761171269960935,0.2607172229456514,0.2177198272907957,0.4106084230004797
EOS-2-22211,FC(F)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cnccn5)n4)n23)cn1,GKPIJDOXBQDHLZ-UHFFFAOYSA-N,2,1,0.457,7,535,434.37,2.345,5,0.392,0.6,0.987,0.5682184223151258,0.552403879103557,0.3081180179562744,0.264983551504352,0.4234309677198273
EOS-2-22212,FC(F)c1ncc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)nn2)cn1,NZVZAIUYCQBVGL-UHFFFAOYSA-N,2,1,0.404,53,587,434.37,2.345,5,0.392,0.65,0.778,0.5207833596052361,0.46629771777122886,0.23551333013501474,0.18622781166472482,0.35220555479405113
EOS-2-22213,O=c1[nH]c(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)ncc1F,BPADIOXBNWDODY-UHFFFAOYSA-N,2,1,0.44,73,817,434.366,2.189,5,0.446,0.67,1.0,0.5682269892399424,0.4619971215132616,0.5814114865327942,0.5909721746281955,0.5506519429785484
EOS-2-22214,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(-c5cncnc5)nn4)n23)cc1,WBMBMIRIGQKRCU-UHFFFAOYSA-N,2,1,0.59,27,996,434.366,3.432,5,0.396,0.73,1.0,0.8985076416969364,0.7742358303063532,0.7652919607977521,0.682252758549791,0.7800720478377082
EOS-2-22215,COc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2)cn1,PNDOUOFORGCWOE-UHFFFAOYSA-N,2,1,0.411,54,251,434.366,3.117,5,0.412,0.71,1.0,0.6391268590226852,0.5524124460283737,0.5041206908368172,0.4469107669111096,0.5356426906997463
EOS-2-22216,C=CCOc1cncc2nnc(-c3cc(-c4cc(F)c(-c5nnco5)c(F)c4)ncn3)n12,WIFMOCAKSTYLSD-UHFFFAOYSA-N,2,1,0.372,44,130,434.366,3.141,5,0.372,0.57,1.0,0.7243249263244466,0.5913662531697622,0.4413936673291755,0.4087194160784045,0.5414510657254472
EOS-2-22217,CCOc1nc(-c2nnc3cncc(OCC(F)(F)F)n23)ccc1-c1cncc(F)c1,CTANNAZDYBINOA-UHFFFAOYSA-N,2,1,0.452,68,127,434.353,3.727,4,0.428,0.69,0.999,0.7914981838119388,0.7395740524981153,0.9119234459598382,0.8047683503529574,0.8119410081557125
EOS-2-22218,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(-c5conn5)cn4)n23)cc1F,GOUTZFJKQDAISY-UHFFFAOYSA-N,2,1,0.534,4,712,434.347,2.863,5,0.288,0.62,1.0,0.5569015146323076,0.34102357617709544,0.3676667123569324,0.19449489411280926,0.36502167431978616
EOS-2-22219,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4ncnc(-c5ncc(F)cn5)n4)n23)cc1F,KJOIHEABFSQSON-UHFFFAOYSA-N,2,1,0.386,29,261,434.326,2.287,5,0.304,0.69,0.342,0.20519498320882737,0.13890411897745186,0.1332242478240011,0.09510999931464602,0.1431083373312316
EOS-2-22221,Clc1cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nc(Br)n1,ZWCBNRLDUIONKF-UHFFFAOYSA-N,2,1,0.342,96,478,465.702,4.121,5,0.292,0.75,1.0,0.1885580152148585,0.3509183743403468,0.5814200534576108,0.652928174902337,0.4434561544787883
EOS-2-22222,Cc1nc(-c2ccc(Cl)nc2)cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,MIALVKAEUPBVKZ-UHFFFAOYSA-N,2,1,0.425,96,140,434.29,4.926,5,0.375,0.79,1.0,0.3027294222465904,0.5618874648756083,0.7315125762456308,0.8236412857240765,0.6049426872729764
EOS-2-22223,Clc1ccc(Oc2cncc3nnc(-c4cc(-c5cccc(Cl)c5)ccn4)n23)cc1,WCEPFAMCWZWXIY-UHFFFAOYSA-N,2,1,0.525,57,480,434.286,5.952,5,0.35,0.86,1.0,0.5908265369063121,0.667757521759989,0.9233602905900897,0.9606949489411281,0.7856598245493797
EOS-2-22224,Clc1cccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)c1,HQPHVYXURPLCBL-UHFFFAOYSA-N,2,1,0.662,83,913,434.286,5.952,5,0.327,0.86,1.0,0.7391628401069152,0.8958347611541361,0.9415907065999589,0.9642673565896785,0.8852139161126723
EOS-2-22225,Oc1cc(Cl)ccc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,MSHDGRJWTMNXOL-UHFFFAOYSA-N,2,1,0.441,83,533,434.286,5.533,5,0.404,0.76,1.0,0.46589507230484545,0.711782948392845,0.9340946473853745,0.9642759235144952,0.7690121478993901
EOS-2-22226,Clc1ccc(Oc2cncc3nnc(-c4ccccc4-c4ccc(Cl)cn4)n23)cc1,WHMMNXLQAPZYOV-UHFFFAOYSA-N,2,1,0.579,57,480,434.286,5.952,5,0.35,0.81,1.0,0.7361815502707149,0.7871461860050716,0.9072202042354877,0.9471934754300596,0.8444353539853334
EOS-2-22227,Clc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,ZVINRYUOHINQSC-UHFFFAOYSA-N,2,1,0.463,83,533,434.286,5.952,5,0.35,0.85,1.0,0.5262833253375369,0.8191950517442259,0.9137567678706051,0.9478616955657597,0.8017742101295319
EOS-2-22228,Clc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1,AFWBAIYMJGFMLT-UHFFFAOYSA-N,2,1,0.568,83,461,434.286,5.952,5,0.35,0.87,1.0,0.8615327941881982,0.9587331231581112,0.9348228359947913,0.9618000822424783,0.9292222088958948
EOS-2-22229,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5cccc(Cl)c5)cn4)n23)cc1,BJHZYHKWGBRZJP-UHFFFAOYSA-N,2,1,0.514,57,417,434.286,5.952,5,0.35,0.89,1.0,0.8842180111027346,0.9568998012473443,0.9341032143101912,0.9607035158659447,0.9339811356315537
EOS-2-22230,CC(C)(O)c1nc(-c2nnc3cncc(OCc4cncc(Cl)c4Cl)n23)ccc1Cl,WJJJSZCDIDBFGE-UHFFFAOYSA-N,2,1,0.402,90,244,465.728,4.348,4,0.468,0.6,0.996,0.669488040572956,0.6430762113631691,0.842634158042629,0.8236498526488931,0.7447120656569117
EOS-2-22231,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])n23)c(F)c1,WPUURWSKICCPFJ-UHFFFAOYSA-N,2,1,0.451,13,374,465.832,4.685,5,0.273,0.74,1.0,0.608028921938181,0.5761256939209102,0.6458947296278528,0.522796586937153,0.5882114831060242
EOS-2-22232,COc1nncnc1COc1cncc2nnc(-c3ccc(-c4ccnc(Cl)n4)c(F)c3)n12,MHTUMRXLAHLWID-UHFFFAOYSA-N,2,1,0.453,36,610,465.836,2.813,5,0.345,0.67,1.0,0.7716828867109862,0.7163576862449456,0.2936741827153725,0.29762353505585637,0.5198345726817901
EOS-2-22233,COc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cnc(Cl)cn5)n4)n23)cn1,ZCWZDTQACCXDFM-UHFFFAOYSA-N,2,1,0.393,51,48,465.836,2.813,5,0.369,0.65,1.0,0.7484322527585497,0.7659002124597355,0.2355218970598314,0.21772839421561235,0.49189568912343223
EOS-2-22234,COc1nncnc1COc1cncc2nnc(-c3ccc(Cl)nc3-c3ccc(F)nc3)n12,ZNXKNNYXFLJAPG-UHFFFAOYSA-N,2,1,0.392,55,875,465.836,2.813,5,0.345,0.6,0.997,0.6816702076622576,0.7254386265506134,0.23202659173463094,0.26198512781851824,0.4752801384415051
EOS-2-22235,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncc(F)cn1,SLVOQFVBHARCHD-UHFFFAOYSA-N,2,1,0.386,51,924,465.836,2.813,5,0.369,0.59,0.988,0.6964995545199095,0.6338067987115346,0.1610067850044548,0.15381056815845384,0.41128092659858817
EOS-2-22236,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ncc1-c1ccnc(F)n1,NHMYLEBUJFYYNL-UHFFFAOYSA-N,2,1,0.373,46,587,465.836,2.813,5,0.345,0.6,0.915,0.6135888561441984,0.5761342608457268,0.33431567404564455,0.2885682955246385,0.45315177164005205
EOS-2-22237,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)cn1,XRFCMWWZRIBLLC-UHFFFAOYSA-N,2,1,0.398,51,903,465.836,2.813,5,0.345,0.66,1.0,0.7570077445000343,0.6874700157631417,0.2714687135905695,0.22955075046261395,0.4863743060790899
EOS-2-22238,COc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2)n1,HUPIZWVQFARJJX-UHFFFAOYSA-N,2,1,0.482,36,19,465.836,2.813,5,0.345,0.66,1.0,0.8985162086217532,0.8375454047015284,0.27907614282777055,0.26199369474333495,0.5692828627235967
EOS-2-22239,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nc2F)ccc1=O,JHMWRQAQFQCYNI-UHFFFAOYSA-N,2,1,0.378,53,237,465.836,2.108,5,0.358,0.61,0.724,0.39945000342676995,0.417654718662189,0.20379000753889384,0.24107326434103216,0.3154919984922212
EOS-2-22240,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ncc(F)cn1,FTMLQMPHOUNIGR-UHFFFAOYSA-N,2,1,0.376,7,94,465.836,2.813,5,0.369,0.6,0.992,0.6756733602905901,0.5913748200945789,0.19336406003700912,0.1835977657460078,0.41100250154204643
EOS-2-22241,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)ccc1=O,ZDMHFGVAYLPFIJ-UHFFFAOYSA-N,2,1,0.385,51,379,465.836,2.108,5,0.358,0.61,0.994,0.5055856349804674,0.47058118017956274,0.18662189020629155,0.21773696114042904,0.34513141662668767
EOS-2-22242,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2F)cn1,PIVMLBRLUAFKQF-UHFFFAOYSA-N,2,1,0.367,7,94,465.836,2.813,5,0.345,0.63,1.0,0.6361027345624015,0.5708656020834761,0.30092180111027345,0.2620022616681516,0.4424730998560757
EOS-2-22243,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cncc(F)n1,OWPLCSKSSAWUGG-UHFFFAOYSA-N,2,1,0.392,46,587,465.836,2.813,5,0.369,0.56,0.999,0.5709941059557261,0.5383798231786718,0.24630765540401617,0.23236070180248097,0.3970105715852238
EOS-2-22244,COc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccnc(-c4ccc(F)c(F)c4)c3)n12,MEHWPENVXJEZFJ-UHFFFAOYSA-N,2,1,0.5,13,236,465.847,5.586,5,0.337,0.75,1.0,0.9452487834966761,0.9112466588993215,0.962374066205195,0.9524621341923103,0.9428329106983757
EOS-2-22245,FC(F)Oc1ccc(-c2nnc3cncc(Oc4cccc(-c5ccc(Cl)cc5)n4)n23)cc1,AKMBXZPCRWOYMI-UHFFFAOYSA-N,2,1,0.654,57,640,465.847,5.9,5,0.311,0.81,1.0,0.9495151120553766,0.9707096840518128,0.9655095606880953,0.9618086491672949,0.9618857514906449
EOS-2-22246,COc1cc(-c2nnc3cncc(-c4cccnc4Oc4ccc(F)cc4F)n23)ccc1Cl,CABUWFWKMKXAGZ-UHFFFAOYSA-N,2,1,0.361,45,533,465.847,5.586,5,0.337,0.71,1.0,0.6538448358577205,0.8510383112877802,0.9508429854019601,0.9390720307038586,0.8486995408128298
EOS-2-22247,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccc(F)cc1,HVUUGAIPPPLCAP-UHFFFAOYSA-N,2,1,0.443,57,236,465.847,5.586,5,0.337,0.84,1.0,0.8525546569803304,0.8410235761770954,0.9275580837502571,0.92515934480159,0.8865739154273182
EOS-2-22248,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)cn2)cc1,LCCDTDPEELJEPW-UHFFFAOYSA-N,2,1,0.761,57,528,465.847,5.9,5,0.311,0.82,1.0,0.896768555959153,0.9282434377355905,0.9714293057364128,0.9707696525255294,0.9418027379891714
EOS-2-22249,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1ccc(F)nc1,DDINZSYECVNWEN-UHFFFAOYSA-N,2,1,0.638,13,209,465.847,5.586,5,0.315,0.72,1.0,0.9478102940168597,0.9442807209923926,0.9689363306147625,0.9595041463916113,0.9551328730039065
EOS-2-22250,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccc(F)nc1,VVMSCUAMZTUPAJ-UHFFFAOYSA-N,2,1,0.518,13,209,465.847,5.586,5,0.315,0.67,1.0,0.8702881913508327,0.9208844493180728,0.9655181276129121,0.9543982592008773,0.9277722568706737
EOS-2-22251,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ccc(Cl)nc1,ZOKVIWOQQLPIBK-UHFFFAOYSA-N,2,1,0.518,13,209,465.847,5.586,5,0.315,0.71,1.0,0.87451168528545,0.917192104722089,0.965081214447262,0.9544068261256939,0.9277979576451236
EOS-2-22252,Fc1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cc2)cc1F,HFRYIOAUEGAGLO-UHFFFAOYSA-N,2,1,0.549,57,881,465.847,5.489,5,0.309,0.75,1.0,0.9665975601398122,0.9737252415872798,0.9668288671098623,0.964798505928312,0.9679875436913166
EOS-2-22253,OCc1cc(-c2nnc3cncc(-c4cccnc4Oc4ccc(F)cc4F)n23)ccc1Cl,YQVSSWLPLBACBH-UHFFFAOYSA-N,2,1,0.34,45,533,465.847,5.07,5,0.39,0.72,0.999,0.6479165238845864,0.8691230895757659,0.9617486806935782,0.9612260982797615,0.860003598108423
EOS-2-22254,Fc1ccc(F)c(Oc2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1,UMUHFJVMFJRISO-UHFFFAOYSA-N,2,1,0.62,57,798,465.847,5.489,5,0.33,0.81,1.0,0.9806301829895141,0.9860873140977314,0.9571568089918443,0.9537985744637105,0.9694182201357
EOS-2-22255,OCc1ccc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)cc1,DLZGWTNRIDVQMJ-UHFFFAOYSA-N,2,1,0.453,13,724,465.847,5.07,5,0.39,0.71,1.0,0.9234802275375231,0.922786306627373,0.9646871359056953,0.9582276745939278,0.9422953361661298
EOS-2-22256,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cn2)cn1,YTPBJNZZVJGYSI-UHFFFAOYSA-N,2,1,0.522,35,76,465.851,4.196,5,0.347,0.66,1.0,0.9286974847508739,0.9559745733671441,0.8312487149612775,0.8315142896305942,0.8868587656774723
EOS-2-22257,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ncn2)cn1,MWRKGTOEZIGNQB-UHFFFAOYSA-N,2,1,0.463,44,130,465.851,4.196,5,0.347,0.62,0.998,0.8659447604687821,0.8444246453293126,0.8182098553903091,0.8489908162565966,0.8443925193612501
EOS-2-22258,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cc1F,ZRISLHWDCHBGQD-UHFFFAOYSA-N,2,1,0.441,11,503,465.851,4.196,5,0.371,0.7,1.0,0.8157254471934754,0.7995682269892399,0.7580871770269344,0.817644438352409,0.7977563223905146
EOS-2-22259,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)cc1F,AORLYUDLSVQOOK-UHFFFAOYSA-N,2,1,0.704,84,360,465.851,4.196,5,0.347,0.75,1.0,0.964901309026112,0.977820231649647,0.8569237886368309,0.8489993831814132,0.9121611781235008
EOS-2-22260,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ncc4Cl)n23)c1F,BSMLOALCZAAGNZ-UHFFFAOYSA-N,2,1,0.406,73,606,465.851,4.462,5,0.354,0.66,1.0,0.7688215338222192,0.7915410184360222,0.8540110341991639,0.837631073949695,0.813001165101775
EOS-2-22261,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cnc5F)n34)ccn2)nc1,CXXQLQQRNJFFEA-UHFFFAOYSA-N,2,1,0.54,75,583,465.851,4.196,5,0.347,0.61,1.0,0.9452573504214927,0.9132598862312384,0.7768144746761703,0.7984031252141731,0.8584337091357687
EOS-2-22262,FCc1cc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)nc5)n4)n23)ccc1Cl,BRTGSEQJHNGERX-UHFFFAOYSA-N,2,1,0.467,16,401,465.851,4.484,5,0.341,0.69,1.0,0.815734014118292,0.9282520046604071,0.8363374683023782,0.8376396408745117,0.8544907819888972
EOS-2-22263,Fc1cccc(F)c1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nn1,BTEMLJDZWUMYRH-UHFFFAOYSA-N,2,1,0.429,19,691,465.851,4.196,5,0.347,0.67,0.995,0.7915067507367556,0.8270166541018436,0.6870930710712083,0.7752295935850867,0.7702115173737236
EOS-2-22264,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)cn1,GBMNIFPUCXMOEH-UHFFFAOYSA-N,2,1,0.704,84,360,465.851,4.196,5,0.347,0.76,1.0,0.9612946336782948,0.969955794667946,0.8599993146460146,0.8525032554314304,0.9109382496059214
EOS-2-22265,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5F)ncn4)n23)n1,KBADMEKVGQTIEU-UHFFFAOYSA-N,2,1,0.458,44,130,465.851,4.196,5,0.347,0.72,0.989,0.8265026386128436,0.837553971626345,0.7515763141662669,0.804776917277774,0.8051024604208074
EOS-2-22266,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cnc(-c4ccncn4)cc3F)n12,BLUPNRPOHQQDDW-UHFFFAOYSA-N,2,1,0.534,84,672,465.851,4.196,5,0.371,0.63,1.0,0.9094476046878213,0.9190168597080393,0.8363460352271949,0.857437804125831,0.8805620759372217
EOS-2-22267,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)ccn2)nc1,KABQHGOOOKXBDY-UHFFFAOYSA-N,2,1,0.595,73,166,465.851,4.196,5,0.371,0.61,1.0,0.9375728188609417,0.9227948735521897,0.767690699746419,0.8047854842025907,0.8582109690905353
EOS-2-22268,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5ncc(F)cc5F)cn4)n23)ccc1Cl,HSBFBGRMGPJNQG-UHFFFAOYSA-N,2,1,0.477,73,756,465.851,4.462,5,0.378,0.66,1.0,0.8680436570488658,0.9344630251524912,0.7940425604824892,0.8135751490644918,0.8525310979370844
EOS-2-22269,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)cc2)cn1,UZYUVFNFWZSPCR-UHFFFAOYSA-N,2,1,0.522,37,490,465.851,4.196,5,0.371,0.64,1.0,0.9580220683983277,0.9517853471317935,0.8065245699403742,0.8135837159893085,0.882478925364951
EOS-2-22270,Fc1cc(-c2cccnc2)ncc1-c1nnc2cncc(OCCc3ccc(F)c(Cl)n3)n12,COIWPUZJFYAIRE-UHFFFAOYSA-N,2,1,0.5,87,141,465.851,4.196,5,0.347,0.65,1.0,0.8933503529573025,0.9051041738057707,0.7515848810910836,0.7868206428620382,0.8342150126790487
EOS-2-22271,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)c(Cl)c4)n23)c1,PDEURPUZVLKEBZ-UHFFFAOYSA-N,2,1,0.571,35,716,465.851,4.196,5,0.347,0.61,1.0,0.9518110479062436,0.9647471043794119,0.8600078815708313,0.8656877527242821,0.9105634466451922
EOS-2-22272,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)c(F)c1Cl,PYDNNWQGSPOYFQ-UHFFFAOYSA-N,2,1,0.517,44,130,465.851,4.196,5,0.347,0.65,1.0,0.742315468439449,0.7117915153176616,0.8583458981563977,0.8608131725035981,0.7933165136042766
EOS-2-22273,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2F)c1,UVNGWQOPZGQLMP-UHFFFAOYSA-N,2,1,0.457,18,773,465.851,4.196,5,0.347,0.67,1.0,0.8999297512165033,0.888047426495785,0.8008618326365567,0.8236584195737098,0.8531243574806386
EOS-2-22274,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5Cl)c4)n23)nc1F,LJWIJMAGVMWTAJ-UHFFFAOYSA-N,2,1,0.522,11,278,465.851,4.196,5,0.347,0.64,0.997,0.8842265780275512,0.9093619354396546,0.7605887190734014,0.7776626002330204,0.832959958193407
EOS-2-22275,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)c5)cn4)n23)cn1,JMQFYHCNSUMMEN-UHFFFAOYSA-N,2,1,0.494,27,69,465.851,4.813,5,0.355,0.74,1.0,0.7423240353642656,0.8604961962853814,0.8643170447536153,0.8506527996710301,0.829447519018573
EOS-2-22276,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)cc1F,QCGGOGROITXMDJ-UHFFFAOYSA-N,2,1,0.482,73,716,465.851,4.462,5,0.378,0.61,1.0,0.8967771228839696,0.8659618943184154,0.8065331368651909,0.8090946473853745,0.8445917003632377
EOS-2-22277,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)c1,IATVSLLITWMQRG-UHFFFAOYSA-N,2,1,0.484,44,130,465.851,4.196,5,0.347,0.6,1.0,0.8408950723048455,0.8232472071825098,0.8312572818860942,0.852511822356247,0.8369778459324241
EOS-2-22278,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)cc1F,RCCUGYAIZPUGCR-UHFFFAOYSA-N,2,1,0.529,44,488,465.851,4.462,5,0.378,0.67,0.996,0.8479799191282297,0.7612398053594681,0.8754369131656501,0.8690117195531492,0.8384170893016243
EOS-2-22279,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cc1F,VAHIIXXBNQEOPM-UHFFFAOYSA-N,2,1,0.522,37,132,465.851,4.196,5,0.371,0.71,1.0,0.8362860667534782,0.8933589198821191,0.8027551230210404,0.8471660612706463,0.844891542731821
EOS-2-22280,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)nc1,BUAJEFUXAAXDNZ-UHFFFAOYSA-N,2,1,0.49,2,76,465.851,4.196,5,0.347,0.55,1.0,0.8725327256527997,0.877527242820917,0.8275306695908436,0.8396614351312452,0.8543130182989513
EOS-2-22281,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)c(F)n4)n23)ccc1Cl,RPRBHALQSXWQAS-UHFFFAOYSA-N,2,1,0.581,44,308,465.851,4.196,5,0.347,0.62,1.0,0.9444092248646426,0.9112552258241382,0.8312658488109108,0.8416146939894456,0.8821362483722843
EOS-2-22282,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)c1,RSIIGBLDKWXEPL-UHFFFAOYSA-N,2,1,0.458,84,442,465.851,4.196,5,0.347,0.64,1.0,0.8702967582756493,0.8880559934206017,0.8492049893770133,0.8690202864779659,0.8691445068878074
EOS-2-22283,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)ncn4)n23)ccn1,CLCYLMGLWGQPJZ-UHFFFAOYSA-N,2,1,0.5,44,130,465.851,4.196,5,0.347,0.68,1.0,0.904735796038654,0.8480655883763965,0.8458381879240627,0.8641028716331985,0.8656856109930778
EOS-2-22284,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccn2)nc1,RSIIQUCIAVDPKS-UHFFFAOYSA-N,2,1,0.617,73,166,465.851,4.196,5,0.371,0.62,1.0,0.9487098211226098,0.9072287711603043,0.7417928860256322,0.7868292097868549,0.8461401720238503
EOS-2-22285,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccc2F)cn1,GZXNUNYXBPINGD-UHFFFAOYSA-N,2,1,0.5,20,494,465.851,4.196,5,0.347,0.68,1.0,0.9272839421561236,0.9559831402919607,0.7963042286340896,0.8336303200603111,0.8783004077856212
EOS-2-22286,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)ncn4)n23)cn1,MIKZPNABVTUDQS-UHFFFAOYSA-N,2,1,0.505,44,130,465.851,4.196,5,0.347,0.69,1.0,0.9063977794530875,0.8444332122541293,0.8395157974093619,0.8574463710506477,0.8619482900418065
EOS-2-22287,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nn5)ccn4)n23)c1,CZBNPUKTGWXGIG-UHFFFAOYSA-N,2,1,0.478,19,692,465.851,4.196,5,0.371,0.58,1.0,0.7971780549653896,0.7915495853608389,0.8065417037900076,0.8396700020560619,0.8087348365430744
EOS-2-22288,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnc(F)c(Cl)c4)nc3)n12,GYVUJVMJLWTQLG-UHFFFAOYSA-N,2,1,0.495,35,904,465.851,4.196,5,0.347,0.69,1.0,0.9064063463779042,0.94978925364951,0.8458467548488795,0.8490079501062299,0.8877625762456308
EOS-2-22289,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)cc2)nc1,KXBOANNYKNEVCW-UHFFFAOYSA-N,2,1,0.512,11,795,465.851,4.196,5,0.347,0.7,1.0,0.9643530258378452,0.9529761496813104,0.6679459941059557,0.7288139949283805,0.828522291138373
EOS-2-22290,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cnc1F,GHXNZZUKKQYTSI-UHFFFAOYSA-N,2,1,0.517,84,76,465.851,4.196,5,0.347,0.66,1.0,0.9139880748406553,0.9577222260297443,0.8329021314508944,0.8296724007950106,0.8835712082790761
EOS-2-22291,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)nc1,YRENITLHEYPSJZ-UHFFFAOYSA-N,2,1,0.725,84,166,465.851,4.196,5,0.371,0.73,1.0,0.9676255911178123,0.9707182509766294,0.7836765814543212,0.8026437529984237,0.8811660441367967
EOS-2-22292,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cc1Cl,SYECSQQJSNSWQB-UHFFFAOYSA-N,2,1,0.535,27,770,465.851,4.813,5,0.355,0.7,1.0,0.9139966417654719,0.8980193269823864,0.8961089027482695,0.8656963196490988,0.8934552977863066
EOS-2-22293,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)c2)c1,ZFZZGNFXIOMAEI-UHFFFAOYSA-N,2,1,0.414,18,367,465.851,4.196,5,0.347,0.69,1.0,0.7915153176615722,0.7485350558563498,0.7722997052977864,0.8091032143101912,0.780363323281475
EOS-2-22294,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2F)cn1,PMHTXGNKHIOBPH-UHFFFAOYSA-N,2,1,0.448,11,814,465.851,4.196,5,0.347,0.65,1.0,0.8725412925776164,0.8775358097457336,0.7605972859982181,0.7893221849085053,0.8249991433075183
EOS-2-22295,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5F)nc4)n23)nn1,CAKATUFIOFLFSM-UHFFFAOYSA-N,2,1,0.456,4,799,465.851,4.462,5,0.354,0.73,1.0,0.718019669659379,0.8341700363237612,0.8295267630731272,0.8236669864985265,0.8013458638886986
EOS-2-22296,Cc1nc(COc2cncc3nnc(-c4ncc(-c5ccc(F)cc5Cl)cn4)n23)ccc1F,BVUKPNOWBOYUST-UHFFFAOYSA-N,2,1,0.466,73,71,465.851,4.462,5,0.378,0.68,1.0,0.6787403193749572,0.6776009183743403,0.7628246864505517,0.7938369542868892,0.7282507196216846
EOS-2-22297,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)c(F)n1,MXEYTKKYOIVCEA-UHFFFAOYSA-N,2,1,0.548,11,626,465.851,4.196,5,0.347,0.64,1.0,0.9248081008841066,0.9312075937221574,0.7606058529230347,0.772745185388253,0.8473416832293879
EOS-2-22298,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)cn1,VHUTYJCLMAAXJA-UHFFFAOYSA-N,2,1,0.517,72,132,465.851,4.196,5,0.347,0.65,1.0,0.9015231992324035,0.952984716606127,0.7859125488314714,0.8255431430333767,0.8664909019258448
EOS-2-22299,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)c1,GHXZDRSWXVBYAZ-UHFFFAOYSA-N,2,1,0.511,37,132,465.851,4.196,5,0.371,0.68,1.0,0.9299910903981906,0.9428843122472758,0.7814920156260708,0.8315228565554109,0.8714725687067371
EOS-2-22300,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)c2)cc1F,KVENFEYLGXGGJR-UHFFFAOYSA-N,2,1,0.451,18,503,465.851,4.196,5,0.347,0.75,1.0,0.7659516140086354,0.7871547529298882,0.7185765197724625,0.7893307518333219,0.765253409636077
EOS-2-22301,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cn2)nc1,GSWLRSPZHREJRX-UHFFFAOYSA-N,2,1,0.56,84,166,465.851,4.196,5,0.371,0.74,1.0,0.9311047906243575,0.9598382564594613,0.7628332533753683,0.7962014255362895,0.8624944314988692
EOS-2-22302,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(F)cc5Cl)n34)ccn2)cn1,JOKGDBUJTYYMLE-UHFFFAOYSA-N,2,1,0.512,59,577,465.851,4.462,5,0.354,0.71,1.0,0.8659533273935988,0.87466588993215,0.8924765266260023,0.8720701117126997,0.8762914639161126
EOS-2-22303,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)nc1F,HZEHWYFEMPNFGK-UHFFFAOYSA-N,2,1,0.489,58,583,465.851,4.196,5,0.347,0.67,1.0,0.8952093756425193,0.8907460078130355,0.7262953190322802,0.75007710232335,0.8155819512027962
EOS-2-22304,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)nn1,UVUFAUWKQFRCQE-UHFFFAOYSA-N,2,1,0.533,84,73,465.851,4.196,5,0.371,0.59,1.0,0.8387790418751285,0.8746744568569667,0.8458553217736962,0.8608217394284148,0.8550326399835515
EOS-2-22305,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)cnc1F,AVVMJYKQAMIZDW-UHFFFAOYSA-N,2,1,0.522,75,141,465.851,4.196,5,0.347,0.65,0.999,0.8914741964224522,0.8880645603454184,0.8008703995613734,0.8112278116647248,0.8479092419984923
EOS-2-22306,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cn2)cn1,UGJHEOSORXSORX-UHFFFAOYSA-N,2,1,0.553,84,672,465.851,4.196,5,0.371,0.65,1.0,0.9180402302789391,0.9613631690768282,0.8166678089233089,0.8315314234802276,0.8819006579398259
EOS-2-22307,Cc1cncnc1-c1ccc(COc2cncc3nnc(-c4c(Cl)ccc(F)c4F)n23)nc1,WWXDFGJJJAIUPT-UHFFFAOYSA-N,2,1,0.489,73,877,465.851,4.462,5,0.354,0.66,1.0,0.745356726749366,0.8270252210266603,0.8182184223151258,0.8112363785895415,0.8004591871701734
EOS-2-22308,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cnn2)c1,DYRLBDPRPRBUJG-UHFFFAOYSA-N,2,1,0.533,84,778,465.851,4.196,5,0.371,0.53,1.0,0.8501987526557467,0.8880731272702351,0.8569323555616476,0.8875248440819683,0.8706822698923995
EOS-2-22309,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)cn1,MXBWRHBWXKSVOR-UHFFFAOYSA-N,2,1,0.695,84,360,465.851,4.196,5,0.371,0.74,1.0,0.9613032006031115,0.9730398876019464,0.8329106983757111,0.8396785689808787,0.9017330888904118
EOS-2-22310,Cc1ncc(Oc2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)n1,BKWWEWDJCSBJCZ-UHFFFAOYSA-N,2,1,0.313,96,315,465.851,5.335,5,0.346,0.82,0.928,0.47579843739291344,0.5293931190459873,0.8492135563018299,0.847174628195463,0.6753949352340484
EOS-2-22311,Cc1cnc(-c2ncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2F)cn1,DNUDIACGJMAOQY-UHFFFAOYSA-N,2,1,0.62,59,294,465.851,4.462,5,0.378,0.72,1.0,0.8455040778562127,0.902568364060037,0.8329192653005277,0.8336388869851278,0.8536576485504763
EOS-2-22312,Fc1cnc(F)c(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)c1,HATDQFYFBYCSIK-UHFFFAOYSA-N,2,1,0.489,75,278,465.851,4.196,5,0.347,0.67,1.0,0.8879017887739017,0.8633832499485985,0.7491261736686999,0.7752381605099034,0.8189123432252758
EOS-2-22313,FC(F)c1nccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,SVSJJETXQMQBQB-UHFFFAOYSA-N,2,1,0.558,97,335,465.851,4.813,5,0.355,0.74,1.0,0.9763467205811802,0.9692790076074292,0.8410407100267288,0.8158111164416421,0.9006193886642451
EOS-2-22314,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)nn4)n23)c1,PHWIKPWYHZRGFG-UHFFFAOYSA-N,2,1,0.462,54,691,465.851,4.196,5,0.371,0.72,0.662,0.870305325200466,0.8719416078404496,0.7653005277225687,0.827470701117127,0.8337545404701528
EOS-2-22315,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ccn4)n23)c1,ZFROOYARRSMWTR-UHFFFAOYSA-N,2,1,0.43,18,160,465.851,4.196,5,0.347,0.6,1.0,0.8000908094030567,0.7659087793845522,0.8065502707148242,0.8315399904050442,0.8010224624768694
EOS-2-22316,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)nn1,ZLXSBZVANJRYCE-UHFFFAOYSA-N,2,1,0.467,19,691,465.851,4.196,5,0.347,0.69,0.999,0.8238211911452266,0.8341786032485778,0.6979216640394764,0.777671167157837,0.7833981563977794
EOS-2-22317,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c(F)c1,FORSXFNFALTYBP-UHFFFAOYSA-N,2,1,0.457,19,503,465.851,4.196,5,0.371,0.68,1.0,0.7631159618943184,0.8192036186690426,0.7366013295867315,0.8091117812350079,0.7820081728462751
EOS-2-22318,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cn4)n23)c(F)c1Cl,DUUOWKMRYFPMHA-UHFFFAOYSA-N,2,1,0.473,44,308,465.851,4.196,5,0.347,0.63,1.0,0.8745202522102666,0.8775443766705503,0.8629634706325817,0.8574549379754643,0.8681207593722158
EOS-2-22319,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c(F)c2)cn1,JYPPXDDSHVIDTF-UHFFFAOYSA-N,2,1,0.477,16,716,465.851,4.462,5,0.354,0.65,1.0,0.9234887944623398,0.8980278939072031,0.8820505791241177,0.8608303063532314,0.8910993934617231
EOS-2-22320,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)c1,VPNRUIXCNLUYHU-UHFFFAOYSA-N,2,1,0.538,84,672,465.851,4.196,5,0.347,0.68,1.0,0.9248166678089234,0.9623140977314784,0.8442276060585292,0.8506613665958468,0.8955049345486944
EOS-2-22321,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)nn4)n23)nc1,NXTCYOWZGKCYCH-UHFFFAOYSA-N,2,1,0.473,19,691,465.851,4.196,5,0.371,0.71,0.891,0.8822733191693509,0.877552943595367,0.762841820300185,0.8196148310602426,0.8355707285312863
EOS-2-22322,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)cc1F,MZYMQHBEMYTVQR-UHFFFAOYSA-N,2,1,0.443,44,130,465.851,4.196,5,0.371,0.67,0.901,0.8289270783359606,0.7952162291823727,0.802763689945857,0.8435079843739292,0.8176037454595299
EOS-2-22323,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)cn1,NLLMXNMFMYTWRS-UHFFFAOYSA-N,2,1,0.695,84,360,465.851,4.196,5,0.371,0.72,1.0,0.9618943184154616,0.972508738263313,0.8329278322253444,0.8376482077993284,0.9012447741758618
EOS-2-22324,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)nc1F,OKVFCMARQOKNFT-UHFFFAOYSA-N,2,1,0.522,58,141,465.851,4.196,5,0.347,0.67,0.984,0.9287060516756905,0.9487098211226098,0.7467702693441163,0.7680676444383524,0.8480634466451923
EOS-2-22325,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)c(F)c1,GGADYBQWPHAKIO-UHFFFAOYSA-N,2,1,0.527,44,130,465.851,4.196,5,0.347,0.7,1.0,0.8967856898087863,0.8659704612432322,0.8182269892399424,0.8490165170310465,0.8574999143307519
EOS-2-22326,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)cc1F,VONWKBQITBAYHC-UHFFFAOYSA-N,2,1,0.505,44,130,465.851,4.196,5,0.347,0.66,1.0,0.9064149133027208,0.8410321431019121,0.8378623809197451,0.857463504900281,0.8606932355561647
EOS-2-22327,Fc1ccc(-c2nc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)nn1,MYKDJHUCCWAVOL-UHFFFAOYSA-N,2,1,0.571,34,639,465.851,4.196,5,0.371,0.71,0.997,0.9732883284216298,0.9860958810225482,0.6764358165992735,0.755105887190734,0.8477314783085464
EOS-2-22328,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)ccn2)nc1,WYQVHRONOCPSFH-UHFFFAOYSA-N,2,1,0.505,24,583,465.851,4.196,5,0.347,0.66,1.0,0.9180487972037558,0.8980364608320197,0.7442772942224659,0.7704835172366528,0.8327115173737235
EOS-2-22329,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5OC(F)F)n34)cn2)nn1,SCYZZFSWZZGRTQ-UHFFFAOYSA-N,2,1,0.361,96,121,465.851,4.874,5,0.365,0.7,0.987,0.5237132478925365,0.7395826194229319,0.8767133849633335,0.8706051675690494,0.7526536049619628
EOS-2-22330,Cc1nc(-c2c(F)cccc2Cl)cc(-c2nnc3cncc(OCc4ccncc4F)n23)n1,WBUYSFYXMCSWHC-UHFFFAOYSA-N,2,1,0.407,44,877,465.851,4.462,5,0.378,0.69,1.0,0.7599633335617847,0.6971934754300596,0.7919350969775889,0.8236755534233432,0.7681918648481941
EOS-2-22331,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)cn1,TVXUWGODMGLYMK-UHFFFAOYSA-N,2,1,0.541,84,749,465.851,4.196,5,0.347,0.65,1.0,0.9234973613871564,0.9529932835309437,0.82556027688301,0.8336474539099444,0.8839245939277637
EOS-2-22332,FCc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)cn1,QBDDHXHLRDSWHX-UHFFFAOYSA-N,2,1,0.524,16,716,465.851,4.484,5,0.365,0.66,1.0,0.9461397436776094,0.9001867589610033,0.8109793708450415,0.8176530052772257,0.86873971969022
EOS-2-22333,Fc1ccc(-c2cncc(COc3cncc4nnc(Cc5ccc(Cl)c(F)c5)n34)n2)cn1,SPIOVYIQHAZAFU-UHFFFAOYSA-N,2,1,0.364,59,401,465.851,4.078,5,0.349,0.68,0.998,0.45652285655541086,0.40817113289013773,0.8109879377698581,0.8296809677198272,0.6263407237338084
EOS-2-22334,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)n1,PBONQQLBWANFHJ-UHFFFAOYSA-N,2,1,0.446,44,531,465.851,4.462,5,0.354,0.71,1.0,0.8157425810431088,0.8114848194092249,0.8047169488040573,0.8255517099581934,0.8143740148036461
EOS-2-22335,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5F)ncn4)n23)c1F,CXHLILQBXXXRRE-UHFFFAOYSA-N,2,1,0.421,44,488,465.851,4.462,5,0.378,0.68,0.995,0.8157511479679255,0.770140840243986,0.8492221232266466,0.8525203892810637,0.8219086251799055
EOS-2-22336,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5cnccn5)n4)n23)cc1,AIHOHKCTCNNBOV-UHFFFAOYSA-N,2,1,0.5,27,343,465.851,4.813,5,0.355,0.71,1.0,0.8455126447810294,0.8907545747378521,0.8806370365293674,0.8690288534027826,0.8714832773627579
EOS-2-22337,FC(F)c1ccc(-c2nnc3cncc(OCc4cncnc4-c4ccc(Cl)cc4)n23)cn1,OJSRCEATJFMGOL-UHFFFAOYSA-N,2,1,0.5,27,430,465.851,4.813,5,0.355,0.73,1.0,0.9125402645466384,0.9264101158248236,0.885622986772668,0.8720786786375163,0.8991630114454117
EOS-2-22338,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)cn2)cn1,JCLVOIIPDNZISU-UHFFFAOYSA-N,2,1,0.483,59,577,465.851,4.462,5,0.354,0.72,1.0,0.8879103556987183,0.9093705023644713,0.8727383318483997,0.8506699335206634,0.8801722808580632
EOS-2-22339,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ncc(F)cc5Cl)n34)cc2F)c(C)n1,YOPIICOEYQPZPN-UHFFFAOYSA-N,2,1,0.4,13,716,465.851,4.984,5,0.369,0.72,1.0,0.8703138921252828,0.8444417791789459,0.7919436639024056,0.7656689054896855,0.81809206017408
EOS-2-22340,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)cn1,XQHFHWQFBIULNN-UHFFFAOYSA-N,2,1,0.704,84,360,465.851,4.196,5,0.347,0.77,1.0,0.9606349804674115,0.9707268179014461,0.860016448495648,0.8525289562058803,0.9109768007675965
EOS-2-22341,Fc1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1ncncn1,LMGCZIZRPIQDHA-UHFFFAOYSA-N,2,1,0.605,88,803,465.851,4.196,5,0.371,0.72,1.0,0.9814954423959975,0.9800304982523473,0.8473973682406963,0.867315468439449,0.9190596943321226
EOS-2-22342,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cn5)c4)n23)c1F,WKLLNQGWPQAAEY-UHFFFAOYSA-N,2,1,0.489,75,583,465.851,4.196,5,0.371,0.62,1.0,0.8897436776094853,0.8853574121033514,0.7418014529504489,0.7822287711603043,0.8247828284558975
EOS-2-22343,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nc1,LGUGHUQTBXABIA-UHFFFAOYSA-N,2,1,0.59,35,325,465.851,4.196,5,0.347,0.66,1.0,0.9166181207593722,0.9112637927489549,0.7859211157562881,0.8091203481598246,0.8557308443561099
EOS-2-22344,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2)cnc1F,UQBULDUEPZHPOC-UHFFFAOYSA-N,2,1,0.436,18,429,465.851,4.196,5,0.347,0.77,1.0,0.8842351449523679,0.8933674868069358,0.8312744157357275,0.8435165512987458,0.8630983996984443
EOS-2-22345,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nn1,PACGACOLPUYQOF-UHFFFAOYSA-N,2,1,0.631,19,360,465.851,4.196,5,0.371,0.59,0.956,0.9412822973065589,0.940040093208142,0.758095743951751,0.8026523199232404,0.8605176135974232
EOS-2-22346,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)ccc1Cl,WYASQUSUUYMMLC-UHFFFAOYSA-N,2,1,0.595,84,308,465.851,4.196,5,0.347,0.63,1.0,0.9461483106024261,0.9190254266328559,0.7491347405935166,0.77524672743472,0.8473888013158797
EOS-2-22347,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2)nn1,VLVAHMXDVFCNBH-UHFFFAOYSA-N,2,1,0.541,72,889,465.851,4.196,5,0.347,0.68,1.0,0.9737338085120965,0.9720032896991296,0.8166763758481256,0.8236841203481599,0.8965243986018779
EOS-2-22348,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)ccn2)nc1,NFTPIVICIKMCRF-UHFFFAOYSA-N,2,1,0.634,73,166,465.851,4.196,5,0.371,0.66,1.0,0.9322698923994243,0.9093790692892879,0.7676992666712357,0.8047940511274073,0.8535355698718388
EOS-2-22349,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)cn4)n23)cn1,FEFZBJSNBVURJG-UHFFFAOYSA-N,2,1,0.506,27,69,465.851,4.813,5,0.332,0.69,1.0,0.7116972791446782,0.8375625385511617,0.8686519087108492,0.8315485573298609,0.8123650709341375
EOS-2-22350,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)cn1,HBVGCXGKUDLODH-UHFFFAOYSA-N,2,1,0.54,35,429,465.851,4.196,5,0.371,0.68,1.0,0.9705040778562127,0.9647556713042287,0.832936399150161,0.852537523130697,0.9051834178603249
EOS-2-22351,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cncnc1,VYHXSGMLLOFEOE-UHFFFAOYSA-N,2,1,0.558,35,215,465.851,4.196,5,0.347,0.57,1.0,0.9557518333219107,0.959846823384278,0.8831985470495511,0.8862655061339182,0.9212656774724145
EOS-2-22352,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nn4)n23)cc1F,KDBZHZVBWKEJMS-UHFFFAOYSA-N,2,1,0.602,19,691,465.851,4.196,5,0.347,0.75,0.997,0.942361729833459,0.9329295456103077,0.8275392365156603,0.8525460900555136,0.8888441505037351
EOS-2-22353,Fc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1-c1cncnc1,KZIWIJHUYKRZNO-UHFFFAOYSA-N,2,1,0.511,37,215,465.851,4.196,5,0.347,0.64,1.0,0.9423702967582757,0.9475875539716263,0.8458638886985128,0.8592197244876979,0.8987603659790282
EOS-2-22354,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)cc4F)n23)ccc1Cl,VTWHHISYTHJXCW-UHFFFAOYSA-N,2,1,0.662,88,781,465.851,4.196,5,0.371,0.73,1.0,0.9741535878281132,0.97524158727983,0.894909533273936,0.9057038585429374,0.9375021417312042
EOS-2-22355,Fc1cccc(F)c1CCOc1cncc2nnc(-c3cncc(-c4ccc(Cl)nn4)c3)n12,SEUTURUFKITFRV-UHFFFAOYSA-N,2,1,0.523,84,749,465.851,4.196,5,0.371,0.66,1.0,0.872549859502433,0.8719501747652663,0.8200517442258927,0.8471831951202796,0.852933743403468
EOS-2-22356,FC(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnnc(Cl)c5)n4)n23)cc1,JWNBAGMEHMELQW-UHFFFAOYSA-N,2,1,0.5,1,676,465.851,4.813,5,0.355,0.71,1.0,0.7541121239120006,0.8480741553012131,0.8994757042012199,0.8833013501473511,0.8462408333904461
EOS-2-22357,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)nc1Cl,LQDAKNQMZCEPTO-UHFFFAOYSA-N,2,1,0.479,87,307,465.851,4.196,5,0.347,0.62,1.0,0.889752244534302,0.8605047632101981,0.7515934480159002,0.7868377767116715,0.822172058118018
EOS-2-22358,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2F)cn1,GUUMUGXRHGSWAL-UHFFFAOYSA-N,2,1,0.511,20,919,465.851,4.196,5,0.347,0.65,1.0,0.9094561716126379,0.9428928791720924,0.7919522308272222,0.8274792680419437,0.8679451374134741
EOS-2-22359,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccc4Cl)n23)cn1,TYIWFQBWALRVQT-UHFFFAOYSA-N,2,1,0.479,27,988,465.851,4.813,5,0.355,0.73,0.999,0.8680522239736824,0.907237338085121,0.9395175107943252,0.9189825920087725,0.9084474162154752
EOS-2-22360,Fc1cnc(F)c(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)c1,OIOZJUBFTPEVJQ-UHFFFAOYSA-N,2,1,0.522,35,429,465.851,4.196,5,0.347,0.65,1.0,0.92482523473374,0.9497978205743266,0.8087262696182578,0.82556027688301,0.8772274004523337
EOS-2-22361,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)nc1,BWHWZYKOWHEFMH-UHFFFAOYSA-N,2,1,0.484,87,307,465.851,4.196,5,0.371,0.62,1.0,0.8157597148927421,0.8480827222260298,0.8109965046946748,0.8315571242546775,0.8265990165170312
EOS-2-22362,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5cnnc(F)c5)c4)n23)c1,JGVVWZNSXLZDFL-UHFFFAOYSA-N,2,1,0.511,84,884,465.851,4.196,5,0.371,0.62,1.0,0.8387876087999452,0.8933760537317524,0.8779041875128504,0.8958090603796861,0.8764692276060585
EOS-2-22363,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)cn1,IQACRSYLHWQKGT-UHFFFAOYSA-N,2,1,0.538,84,672,465.851,4.196,5,0.347,0.65,1.0,0.9272925090809403,0.9638732780481118,0.8442361729833459,0.8471917620450963,0.8956484305393736
EOS-2-22364,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2)cnc1F,WKOFWOUAKMYMPN-UHFFFAOYSA-N,2,1,0.473,18,959,465.851,4.196,5,0.347,0.73,1.0,0.8785124391748338,0.8980450277568364,0.8329449660749777,0.8336560208347612,0.8607896134603523
EOS-2-22365,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)c(F)n4)n23)cc1Cl,GFOLHHCQDNWWFW-UHFFFAOYSA-N,2,1,0.588,19,442,465.851,4.196,5,0.347,0.64,1.0,0.9287146186005072,0.9112723596737715,0.8110050716194914,0.8336645877595779,0.871164159413337
EOS-2-22366,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)ccn1,VCEAMKNFYLDHRN-UHFFFAOYSA-N,2,1,0.435,18,160,465.851,4.196,5,0.347,0.57,1.0,0.7860496196285381,0.7485436227811665,0.829535329997944,0.8396871359056953,0.8009539270783359
EOS-2-22367,Cc1cncc(-c2cncc(-c3nnc4cncc(OCc5c(Cl)ccc(F)c5F)n34)c2)n1,VPQBDDDOVWIHQV-UHFFFAOYSA-N,2,1,0.456,2,422,465.851,4.462,5,0.354,0.63,1.0,0.8028236584195737,0.8154770063737921,0.8727468987732163,0.8657048865739154,0.8391881125351244
EOS-2-22368,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5F)n34)ccn2)cn1,DIOPJXKZIRCOEQ-UHFFFAOYSA-N,2,1,0.506,59,577,465.851,4.462,5,0.354,0.69,1.0,0.895217942567336,0.857206497155781,0.892485093550819,0.8657134534987321,0.8776557466931669
EOS-2-22369,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c(F)cn2)cn1,HZEPCPVHNJELGG-UHFFFAOYSA-N,2,1,0.489,87,490,465.851,4.196,5,0.347,0.62,0.998,0.8568038516893975,0.9093876362141046,0.7836851483791378,0.8158196833664588,0.8414240799122747
EOS-2-22370,Cc1ncc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c(-c2ccnc(F)c2)n1,OYIHXJBPWGFNPK-UHFFFAOYSA-N,2,1,0.523,59,756,465.851,4.462,5,0.354,0.63,1.0,0.9518196148310603,0.9559917072167775,0.827547803440477,0.8255688438078267,0.8902319923240354
EOS-2-22371,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)c(F)c4)n23)c1,ORJCVLQFDVRVEG-UHFFFAOYSA-N,2,1,0.571,35,716,465.851,4.196,5,0.347,0.66,1.0,0.9661263792748955,0.9692875745322459,0.8554674114179974,0.8608388732780481,0.9129300596257968
EOS-2-22372,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)nn2)c1,PBMUQAOILDWLHO-UHFFFAOYSA-N,2,1,0.473,54,691,465.851,4.196,5,0.371,0.77,0.996,0.8785210060996504,0.8572150640805977,0.804725515728874,0.8574720718250977,0.8494834144335548
EOS-2-22373,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1coc(=O)n1C,QBUGRALMODBUKQ-UHFFFAOYSA-N,2,1,0.449,72,224,465.857,2.781,5,0.372,0.62,1.0,0.48067301761359743,0.46200568843807827,0.3009303680350901,0.2353077239394147,0.36972919950654515
EOS-2-22374,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1noc(=O)[nH]1,YIXZTBYVVDVTCI-UHFFFAOYSA-N,2,1,0.515,35,619,465.857,2.813,5,0.385,0.59,0.999,0.5466469056267562,0.5067336029059009,0.3828987046809677,0.3354550750462614,0.4429335720649715
EOS-2-22375,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1n[nH]c(=O)n1C,UXEXHVDQQUAODL-UHFFFAOYSA-N,2,1,0.455,36,224,465.861,1.911,5,0.398,0.56,1.0,0.4330666164073744,0.4663062846960455,0.12206154478788295,0.107566307998081,0.282250188472346
EOS-2-22376,N#Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ncco5)c4)n23)cn1,LXTRMROTSQLXSA-UHFFFAOYSA-N,2,1,0.312,10,151,465.864,4.219,6,0.379,0.6,1.0,0.1062384346514975,0.3265626070865602,0.5878795147693784,0.6444726201082859,0.41628829415393054
EOS-2-22377,Clc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)n2)nn1,SLNZVWDFXXJDSZ-UHFFFAOYSA-N,2,1,0.314,76,887,465.868,3.211,6,0.382,0.6,0.805,0.21095195668562813,0.32657117401137686,0.1483962716743198,0.2233311630457131,0.22731264135425946
EOS-2-22378,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(CO)c(F)c3)n12,ABJANTGCFCIAOL-UHFFFAOYSA-N,2,1,0.553,43,521,465.872,4.619,5,0.39,0.7,1.0,0.9078627235967377,0.8719587416900829,0.8200603111507093,0.8236926872729765,0.8558936159276267
EOS-2-22379,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1cocn1,XRCBWPFABLPINX-UHFFFAOYSA-N,2,1,0.686,91,777,465.872,4.869,5,0.339,0.73,1.0,0.972071825097663,0.8933846206565691,0.8820591460489343,0.829689534644644,0.8943012816119527
EOS-2-22380,COc1nc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1ccco1,OCGAMYKQRRQFGV-UHFFFAOYSA-N,2,1,0.489,49,703,465.872,4.869,5,0.339,0.74,1.0,0.8133095743951751,0.6874785826879584,0.7131536563635118,0.6906654787197588,0.7261518230416011
EOS-2-22381,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1-c1cocn1,PRJFNLKWSNDTRA-UHFFFAOYSA-N,2,1,0.551,91,313,465.872,4.869,5,0.339,0.69,1.0,0.9643615927626619,0.9072459050099376,0.8686604756356658,0.8255774107326435,0.8914613460352272
EOS-2-22382,COc1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1cnco1,UHPQTQFWTWVHAJ-UHFFFAOYSA-N,2,1,0.61,91,313,465.872,4.869,5,0.339,0.7,1.0,0.9404684394489754,0.8375711054759784,0.8658162565965322,0.8237012541977932,0.8668892639298198
EOS-2-22383,Cn1nc(-c2cncc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)cc1CO,LJKWUUSKXFNDEU-UHFFFAOYSA-N,2,1,0.435,84,332,465.876,3.451,5,0.409,0.67,1.0,0.4881690768281818,0.520217942567336,0.7185850866972792,0.7102923034747447,0.6093161023918854
EOS-2-22384,CCc1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cnco1,TZLVTTLYYPQLKB-UHFFFAOYSA-N,2,1,0.434,18,773,465.876,4.213,5,0.329,0.53,1.0,0.6331728462751011,0.6384329381125351,0.4521794256733603,0.44984065519841,0.5434064663148517
EOS-2-22385,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1nccn1C,ILMWZXYFTRIQQU-UHFFFAOYSA-N,2,1,0.478,16,375,465.876,3.967,5,0.35,0.66,1.0,0.7801898430539373,0.6053646083201973,0.7157580015077788,0.6060071276814475,0.6768298951408402
EOS-2-22386,OCCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)cn1,MSMXSCOYSFMRSD-UHFFFAOYSA-N,2,1,0.452,2,884,465.876,3.414,5,0.393,0.72,1.0,0.44016003015557537,0.3797289424988006,0.7467788362689329,0.7474641902542664,0.5785329997943939
EOS-2-22387,COc1cc(-c2nnc3cncc(OCc4cn(C)nc4-c4ccc(F)cn4)n23)ccc1Cl,WWTKNMGDBXSQHW-UHFFFAOYSA-N,2,1,0.494,16,67,465.876,3.967,5,0.374,0.64,1.0,0.5518127612912069,0.6726492358303063,0.6398207799328353,0.6027259954766637,0.6167521931327531
EOS-2-22388,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ccnn1C,SMPLWTMVKMBHGH-UHFFFAOYSA-N,2,1,0.578,49,294,465.876,3.967,5,0.374,0.73,1.0,0.5623929134397917,0.5524210129531903,0.6679545610307724,0.5968319512027962,0.5949001096566378
EOS-2-22389,OCCn1cc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccn2)cn1,BQXBZDRHNPEZOB-UHFFFAOYSA-N,2,1,0.467,16,332,465.876,3.414,5,0.393,0.72,1.0,0.4734425330683298,0.3797375094236173,0.6764443835240902,0.6936981701048591,0.555830649030224
EOS-2-22390,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1nccn1C,GZCIWBLPSZCYNE-UHFFFAOYSA-N,2,1,0.473,16,375,465.876,3.967,5,0.374,0.66,1.0,0.6361113014872182,0.5813343842094442,0.6333013501473511,0.5527208553217737,0.6008669727914467
EOS-2-22391,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1-c1cnnn1C,WJODBZRCISRPIJ-UHFFFAOYSA-N,2,1,0.658,43,96,465.876,3.967,5,0.374,0.67,1.0,0.727254814611747,0.7442087588239326,0.7963127955589062,0.7344767322321979,0.7505632753066959
EOS-2-22392,COc1cc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)nn4C)n23)ccc1Cl,JXFRRRXZBYQPLP-UHFFFAOYSA-N,2,1,0.484,4,67,465.876,3.967,5,0.35,0.68,1.0,0.5849924611061613,0.7785192927146871,0.6652902474127887,0.6027345624014804,0.6578841409087793
EOS-2-22393,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)cc1CO,RLSGEPGRCZNVQL-UHFFFAOYSA-N,2,1,0.602,59,294,465.876,3.451,5,0.409,0.71,1.0,0.6361198684120348,0.7118000822424783,0.7080306353231444,0.6851569460626413,0.6852768830100746
EOS-2-22394,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1cnc(Cl)n1C,VUXFTGMGXVCDPM-UHFFFAOYSA-N,2,1,0.489,16,591,465.876,3.967,5,0.35,0.69,1.0,0.8265112055376602,0.6579826605441711,0.7390857377835652,0.6297118086491673,0.7133228531286409
EOS-2-22395,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1nc[nH]n1,IELIIRDEDNUHPY-UHFFFAOYSA-N,2,1,0.522,47,313,465.876,3.999,5,0.387,0.63,1.0,0.8785295730244671,0.8480912891508464,0.7442858611472826,0.7019395517784935,0.7932115687752723
EOS-2-22396,COc1cc(-c2nnc3cncc(OCc4c(-c5ccc(F)cn5)ncn4C)n23)ccc1Cl,QNSAUJWZADKHKJ-UHFFFAOYSA-N,2,1,0.462,4,67,465.876,3.967,5,0.374,0.64,1.0,0.7631245288191351,0.8192121855938592,0.5910407100267288,0.5658796518401754,0.6848142690699746
EOS-2-22397,CCOc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccn(C)n1,IREIKWJHCFHSED-UHFFFAOYSA-N,2,1,0.396,13,251,465.876,4.57,5,0.362,0.68,1.0,0.4542269207045439,0.529401685970804,0.5783016928243437,0.5297614968131039,0.5229229490781988
EOS-2-22398,COc1cc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)nn4C)n23)ccc1Cl,SUPHVUKJOGAXMI-UHFFFAOYSA-N,2,1,0.453,4,67,465.876,3.967,5,0.35,0.68,1.0,0.6108217394284148,0.7742443972311699,0.7056233294496608,0.6359056952916181,0.681648790350216
EOS-2-22399,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3ccc(Cl)c(F)c3)n12,YIIWLKGLEPMRNP-UHFFFAOYSA-N,2,1,0.617,59,294,465.876,3.967,5,0.374,0.64,0.994,0.7631330957439517,0.687487149612775,0.6790058940442739,0.6060156946062641,0.6839104585018162
EOS-2-22400,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1cncn1C,OWMXNHLGZFGYLQ-UHFFFAOYSA-N,2,1,0.473,16,591,465.876,3.967,5,0.35,0.67,1.0,0.8082379549037078,0.5866373106709616,0.791960797752039,0.6822613254746076,0.717274347200329
EOS-2-22401,Cc1nn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)c(=O)n1C,CBWIEXYNXOUIQF-UHFFFAOYSA-N,2,1,0.59,43,521,465.876,3.356,5,0.395,0.69,1.0,0.6303200603111507,0.6874957165375917,0.415333082036872,0.5130559934206017,0.5615512130765541
EOS-2-22402,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1cnn(C)c1,AJLVSTCAYVSVQB-UHFFFAOYSA-N,2,1,0.478,16,83,465.876,3.967,5,0.374,0.65,1.0,0.5624014803646084,0.5913833870193955,0.7442944280720992,0.6529367418271538,0.6377540093208143
EOS-2-22403,OCCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cn1,RFRMZKSQTQYJCO-UHFFFAOYSA-N,2,1,0.581,59,294,465.876,3.414,5,0.393,0.81,1.0,0.6568175587691042,0.5813429511342608,0.7157665684325955,0.7156980330340621,0.6674062778425056
EOS-2-22404,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1-c1nncn1C,ZMBLOGPLAZOVKC-UHFFFAOYSA-N,2,1,0.667,43,718,465.876,3.967,5,0.374,0.73,1.0,0.8312915495853609,0.7485521897059831,0.7443029949969159,0.6877869919813584,0.7529834315674045
EOS-2-22405,COc1cc(-c2nnc3cncc(OCc4cc(-c5cncn5C)ncc4F)n23)ccc1Cl,GOSPSFSLHUIRAS-UHFFFAOYSA-N,2,1,0.484,16,67,465.876,3.967,5,0.374,0.67,1.0,0.8387961757247618,0.7915581522856555,0.7859296826811047,0.7019481187033103,0.7795580323487081
EOS-2-22406,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)ccc1-c1ccn(C)n1,RUTNUSHRWDANIS-UHFFFAOYSA-N,2,1,0.43,49,703,465.876,3.967,5,0.374,0.7,0.999,0.5312007401823041,0.5383883901034885,0.6364882461791516,0.5722962785278597,0.5695934137482009
EOS-2-22407,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1ncnn1C,IKIBSTVWFKJKOX-UHFFFAOYSA-N,2,1,0.512,43,718,465.876,3.967,5,0.374,0.74,1.0,0.6479250908094031,0.6534678911657871,0.692670139126859,0.6444811870331026,0.6596360770337879
EOS-2-22408,CCOc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnn(C)c1,LSOGSHLKEBGENA-UHFFFAOYSA-N,2,1,0.415,13,251,465.876,4.57,5,0.362,0.74,0.999,0.4831402919607978,0.5021588650538003,0.6514803646083202,0.5940819683366458,0.557715372489891
EOS-2-22409,COc1ccc(-c2nn(C)c(Oc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2F)cn1,RBBLVUYJIPUVKY-UHFFFAOYSA-N,2,1,0.398,13,706,465.876,4.489,5,0.377,0.71,1.0,0.5289647728051539,0.677609485299157,0.5910492769515455,0.4990747721197999,0.574174576793914
EOS-2-22410,Cc1cc(-c2nn(C)c(=O)n2C)cc(F)c1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,FGUWONNLLHRGRT-UHFFFAOYSA-N,2,1,0.5,13,374,465.876,3.784,5,0.401,0.79,1.0,0.6634055239531218,0.7118086491672949,0.36767527928174903,0.44691933383592625,0.547452196559523
EOS-2-22411,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCc3ccc(Cl)c(F)c3)n12,YZVGPROPVQMZPA-UHFFFAOYSA-N,2,1,0.617,43,96,465.876,3.967,5,0.374,0.77,1.0,0.6135974230690151,0.672657802755123,0.7898533342471387,0.7262953190322802,0.7006009697758893
EOS-2-22412,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cn1,NTWWWMIAWUCVEQ-UHFFFAOYSA-N,2,1,0.595,59,294,465.876,3.414,5,0.393,0.76,1.0,0.5682355561647591,0.5155489685422521,0.7131622232883285,0.707396682886711,0.6260858577205126
EOS-2-22413,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ncnn1C,DGIWHGUICWUXGG-UHFFFAOYSA-N,2,1,0.667,43,718,465.876,3.967,5,0.374,0.72,1.0,0.7631416626687684,0.7118172160921116,0.7366098965115482,0.6702162291823727,0.7204462511137002
EOS-2-22414,COc1cc(-c2nnc3cncc(OCc4c(-c5ccc(F)nc5)ncn4C)n23)ccc1Cl,VIACTHPMNAIVAS-UHFFFAOYSA-N,2,1,0.453,4,67,465.876,3.967,5,0.35,0.67,1.0,0.7272633815365637,0.8077582071139744,0.662728736892605,0.6060242615310808,0.700943646768556
EOS-2-22415,COc1cc(-c2nnc3cncc(OCc4nc(-c5ccc(F)cn5)cn4C)n23)ccc1Cl,JTJYKJWOTIRVKB-UHFFFAOYSA-N,2,1,0.446,16,67,465.876,3.967,5,0.374,0.66,1.0,0.845521211705846,0.8605133301350147,0.587888081694195,0.5527294222465904,0.7116630114454116
EOS-2-22416,COc1cc(-c2nnc3cncc(OCc4ncnn4-c4ccc(C)cc4F)n23)ccc1Cl,GGLYEDCCYJHNHQ-UHFFFAOYSA-N,2,1,0.468,43,67,465.876,4.061,5,0.373,0.73,1.0,0.5938163936673292,0.6579912274689877,0.6274758412720169,0.6091254883147146,0.6221022376807621
EOS-2-22417,OCCn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2F)cn1,LPZOALNRBNPPTL-UHFFFAOYSA-N,2,1,0.5,16,394,465.876,3.414,5,0.393,0.61,1.0,0.562410047289425,0.5067421698307175,0.7263038859570968,0.7344852991570145,0.6324853505585635
EOS-2-22418,Cn1nc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)c2)cc1CO,WGULXGRSWAPHJF-UHFFFAOYSA-N,2,1,0.442,16,55,465.876,3.451,5,0.383,0.65,1.0,0.5237218148173531,0.5813515180590775,0.7106092796929614,0.6761359742306902,0.6229546467000205
EOS-2-22419,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ccn(C)n1,FEXLACCUQOCULW-UHFFFAOYSA-N,2,1,0.56,49,294,465.876,3.967,5,0.374,0.71,0.999,0.5908351038311288,0.5813600849838941,0.6573058734836543,0.5848553903090946,0.603589113151943
EOS-2-22420,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1ccn(C)n1,IGLPLCMMBIIFJX-UHFFFAOYSA-N,2,1,0.467,16,526,465.876,3.967,5,0.374,0.64,1.0,0.5682441230895757,0.5708741690082928,0.6817987115345076,0.5940905352614625,0.6037518847234595
EOS-2-22421,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)nc2F)c(C)n1,IKCWWYBHGGRDGW-UHFFFAOYSA-N,2,1,0.354,31,544,465.88,3.54,5,0.277,0.6,1.0,0.38867281200740184,0.4529418819820437,0.1866304571311082,0.18916626687684188,0.3043528544993489
EOS-2-22422,CCn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ncc(Cl)cn1,GXKGDECDNJRVHG-UHFFFAOYSA-N,2,1,0.436,65,263,465.88,3.274,5,0.36,0.66,1.0,0.342659858817079,0.2657031731889521,0.14246795970118567,0.21217702693441162,0.2407520046604071
EOS-2-22423,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)ccn1,BWKLSPIGVNZLDS-UHFFFAOYSA-N,2,1,0.434,75,624,465.88,3.274,5,0.337,0.65,1.0,0.5237303817421698,0.4620142553628949,0.20741381673634432,0.23236926872729766,0.35638193064217666
EOS-2-22424,FCCn1nncc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,SJSFHASSDPAIMR-UHFFFAOYSA-N,2,1,0.461,65,349,465.88,3.084,5,0.344,0.62,1.0,0.4288431224727572,0.439808786238092,0.2246076348433966,0.30717565622644094,0.3501087999451717
EOS-2-22425,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c(F)c2)n[nH]c1=N,BSHGFQMICRZVTR-UHFFFAOYSA-N,2,1,0.551,37,669,465.88,2.808,5,0.372,0.6,1.0,0.7058974710437941,0.707139675142211,0.39390720307038585,0.40872798300322116,0.5539180830649031
EOS-2-22426,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)nc(CF)n1,VXCDOMRFWQMIOV-UHFFFAOYSA-N,2,1,0.42,31,330,465.88,3.121,5,0.36,0.57,0.808,0.5389195394421219,0.42209238571722296,0.1577599204989377,0.2031389212528271,0.3304776917277774
EOS-2-22427,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)nc(F)n1,AWDQYYHZMSPBLX-UHFFFAOYSA-N,2,1,0.412,31,864,465.88,3.274,5,0.337,0.63,0.703,0.4758070043177301,0.39387293537111917,0.2212836680145295,0.24683880474264958,0.3344506031115071
EOS-2-22428,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)c1,FTZCXHLDVUKDGZ-UHFFFAOYSA-N,2,1,0.356,31,211,465.88,3.274,5,0.36,0.63,0.974,0.3865310808032349,0.31209307107120826,0.26072578987046807,0.28857686244945513,0.3119817010485916
EOS-2-22429,Cc1nc(-c2cnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc2F)cn1C,GJJYBRPCDUVVEQ-UHFFFAOYSA-N,2,1,0.42,31,631,465.88,3.099,5,0.352,0.51,0.987,0.6787488862997738,0.5202265094921527,0.16723493934617228,0.19189911589335892,0.3895273627578644
EOS-2-22430,CCn1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)c1C,JZLIETLPJKVVHV-UHFFFAOYSA-N,2,1,0.388,51,379,465.88,3.54,5,0.35,0.72,1.0,0.4080511959427044,0.4927952162291824,0.17377150298128985,0.18097628675210747,0.31389855047632104
EOS-2-22431,CCn1cncc1-c1cc(F)c(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,WLXCXPVIQAKWHK-UHFFFAOYSA-N,2,1,0.41,31,779,465.88,3.274,5,0.36,0.64,0.948,0.5130645603454184,0.45295044890686037,0.24272668083064902,0.2827941881982044,0.372883969570283
EOS-2-22432,CCn1cnnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1F,CROIDTVSEXFKKO-UHFFFAOYSA-N,2,1,0.473,36,482,465.88,3.274,5,0.36,0.72,1.0,0.6756819272154068,0.7572818860941677,0.21756562264409568,0.2914296484134055,0.4854897710917689
EOS-2-22433,CC(C)n1ccnc1-c1cc(Cl)nc(-c2nnc3cncc(OCc4cnncc4F)n23)c1,CNPKASVSCDGIQH-UHFFFAOYSA-N,2,1,0.378,92,62,465.88,3.792,5,0.348,0.57,1.0,0.4240028099513399,0.41766328558700566,0.5006168185868001,0.4279778630662737,0.4425651942978548
EOS-2-22434,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)cc2F)n1,LCVAAKCPSNKKME-UHFFFAOYSA-N,2,1,0.495,37,610,465.88,3.099,5,0.376,0.71,1.0,0.6418768418888355,0.7024364334178603,0.2283685148379138,0.26201082859296826,0.45867315468439446
EOS-2-22435,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)nc(F)n1,PMVHNLZPNYJALE-UHFFFAOYSA-N,2,1,0.408,31,864,465.88,3.274,5,0.337,0.57,0.495,0.47345109999314644,0.38432938112535125,0.22461620176821329,0.2587896648619012,0.33529658693715303
EOS-2-22436,CCn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1F,GJDUHBSMXKVHJQ-UHFFFAOYSA-N,2,1,0.463,37,482,465.88,3.274,5,0.36,0.64,1.0,0.5624186142142417,0.6579997943938044,0.22837708176273044,0.31342951134260844,0.44055625042834623
EOS-2-22437,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)nc(Cl)n5)n34)ccn2)c(C)n1,HLVWYHJOGKUKFU-UHFFFAOYSA-N,2,1,0.467,92,329,465.88,3.54,5,0.277,0.64,1.0,0.3725412925776163,0.43981735316290865,0.2320351586594476,0.2089901309026112,0.31334598382564594
EOS-2-22438,O=[N+]([O-])c1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4ccccn4)s3)n12,NYKXMWZELIVQNG-UHFFFAOYSA-N,2,1,0.467,24,805,465.882,4.45,5,0.266,0.69,1.0,0.6509235144952368,0.4486498526488932,0.23204372558426428,0.1752193132753067,0.3767091015009252
EOS-2-22439,Cn1c(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(F)c1-c1ccc(F)cc1,JOFRWWUDAOVHQV-UHFFFAOYSA-N,2,1,0.632,57,461,465.891,5.35,5,0.339,0.73,1.0,0.9661349461997122,0.9647642382290453,0.9233688575149065,0.9415821396751423,0.9489625454047015
EOS-2-22440,Cn1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)cc1-c1ccccc1F,FUDVRDDSKZOMBS-UHFFFAOYSA-N,2,1,0.576,88,732,465.891,5.35,5,0.339,0.72,1.0,0.8703224590500994,0.9001953258858201,0.9514769378383935,0.9577136591049277,0.9199270954698101
EOS-2-22441,CCOc1nc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)ccc1-c1ccn(C)n1,KCAGZPGAYHRXNN-UHFFFAOYSA-N,2,1,0.414,31,954,465.901,3.853,5,0.34,0.59,1.0,0.45423548762936056,0.4034764580906038,0.23929134397916524,0.1836063326708245,0.3201524055924885
EOS-2-22442,N#Cc1cscc1-c1ccc(-c2nnc3cncc(OCCn4ccc(Cl)n4)n23)c(F)c1,NVWISFINMGICOY-UHFFFAOYSA-N,2,1,0.467,37,772,465.901,4.459,5,0.367,0.62,1.0,0.6634140908779385,0.682432663970941,0.7418100198752656,0.7893393187581386,0.719249023370571
EOS-2-22443,Clc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-n6ccnc6)cc5)n34)cc2)cn1,RDQLHILJSDTBHW-UHFFFAOYSA-N,2,1,0.466,41,722,465.904,5.485,6,0.313,0.73,1.0,0.5494140223425399,0.5761428277705435,0.8615327941881982,0.8556987183880475,0.7106970906723323
EOS-2-22444,Cc1ccc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cn2)nn1,ASVSCBMPVWQCDW-UHFFFAOYSA-N,2,1,0.321,38,787,465.904,5.532,6,0.337,0.75,1.0,0.2866236035912549,0.32213350695634296,0.6818072784593242,0.7183537797272291,0.5022295421835378
EOS-2-22445,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)nc1,IRGDGBLHSPTAEL-UHFFFAOYSA-N,2,1,0.511,77,897,465.904,5.029,6,0.352,0.54,1.0,0.6418854088136523,0.7995767939140566,0.7056318963744774,0.7500856692481667,0.7242949420875882
EOS-2-22446,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)nc2)o1,MWDCWJASOPATPQ-UHFFFAOYSA-N,2,1,0.364,93,74,465.904,5.532,6,0.337,0.74,1.0,0.2753837982317867,0.4398259200877253,0.6487132478925365,0.7183623466520458,0.5205713282160236
EOS-2-22447,Cc1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)o1,FMQXGRMXKOFJGE-UHFFFAOYSA-N,2,1,0.365,93,651,465.904,5.532,6,0.337,0.76,1.0,0.2839250222740045,0.4309591529024741,0.5975515728873964,0.687795558906175,0.5000578267425125
EOS-2-22448,Cc1cnc(-c2cccc(Cl)c2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c1,NPVAZJZPVHKCDR-UHFFFAOYSA-N,2,1,0.354,69,152,465.904,5.532,6,0.337,0.71,1.0,0.2109605236104448,0.34103214310191216,0.6764529504489069,0.7317267493660475,0.4900430916318278
EOS-2-22449,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(Cl)n6)cc5)n34)cc2)o1,HNSMEQCFUFNONF-UHFFFAOYSA-N,2,1,0.351,69,645,465.904,5.532,6,0.337,0.64,1.0,0.30015934480159,0.4221009526420396,0.7263124528819135,0.7210694948941128,0.5424105613049139
EOS-2-22450,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5Cl)n34)cc2)n1,OERPVYTVESJKBV-UHFFFAOYSA-N,2,1,0.325,69,152,465.904,5.532,6,0.337,0.69,1.0,0.2704663833870194,0.3987646494414365,0.7443115619217325,0.7551144541155507,0.5421642622164348
EOS-2-22451,Oc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)c(Cl)c4)n23)cc1,WMJGSIRWOVSBNG-UHFFFAOYSA-N,2,1,0.302,69,152,465.904,5.269,6,0.367,0.68,1.0,0.3702710575011994,0.47488177643753,0.814860187786992,0.8336731546843945,0.623421544102529
EOS-2-22452,Clc1nccc(-c2ccc(-c3nnc4cncc(OCc5ccc6ccccc6n5)n34)cc2)n1,MSMCZYYOWFQOIP-UHFFFAOYSA-N,2,1,0.5,77,891,465.904,5.029,6,0.33,0.85,1.0,0.7484408196833665,0.8410407100267288,0.6679631279555891,0.6878041258309917,0.736312195874169
EOS-2-22453,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ocnc5-c5ccc(Cl)cc5)n34)cc2)n1,BMMLKTVPMYESKR-UHFFFAOYSA-N,2,1,0.382,69,484,465.904,5.532,6,0.337,0.69,1.0,0.2975892673565897,0.4881862106778151,0.657314440408471,0.7074052498115276,0.5376237920636009
EOS-2-22454,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5ccc(Cl)cc5)n34)cc2)n1,MEQVDXHSJJSDRV-UHFFFAOYSA-N,2,1,0.382,69,484,465.904,5.532,6,0.337,0.73,1.0,0.265086354602152,0.46631485162086217,0.6189688849290659,0.6761445411555068,0.5066286580768967
EOS-2-22455,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)nc2)n1,OPZMKEBGOKXMKW-UHFFFAOYSA-N,2,1,0.368,93,479,465.904,5.532,6,0.337,0.82,1.0,0.29214070317318896,0.4264186827496402,0.6459032965526694,0.7130594201905284,0.5193805256665067
EOS-2-22456,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)nc2)no1,VYWHXFXQFQSQCU-UHFFFAOYSA-N,2,1,0.364,93,479,465.904,5.532,6,0.337,0.8,1.0,0.2783136865190871,0.4442807209923926,0.6274844081968337,0.7044924953738606,0.5136428277705435
EOS-2-22457,CCn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(OC)c4)n23)n(C)n1,KQAKXBSYTAMRCH-UHFFFAOYSA-N,2,1,0.429,36,404,465.905,3.044,5,0.36,0.67,1.0,0.34044102528956205,0.5479919128229731,0.0927969296141457,0.0912548831471455,0.2681211877184566
EOS-2-22458,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cn5)n34)nn2)n1,SNEVYHCUYGOLFQ-UHFFFAOYSA-N,2,1,0.355,30,541,465.908,4.364,6,0.381,0.69,1.0,0.060576725378658075,0.19087965184017544,0.46264820779932836,0.5626070865602083,0.31917791789459254
EOS-2-22459,Cn1cnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,ZORORFSDOHSADR-UHFFFAOYSA-N,2,1,0.359,9,50,465.908,4.364,6,0.381,0.71,1.0,0.20237646494414366,0.3605818655335481,0.5754232060859434,0.632710232335001,0.442772942224659
EOS-2-22460,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)n6)cc5)n34)c2)nn1,XVBYNBWMZKGSCA-UHFFFAOYSA-N,2,1,0.314,9,764,465.908,4.364,6,0.356,0.7,1.0,0.09159756013981221,0.15415324515112055,0.5419779316016723,0.5723048454526763,0.34000839558632034
EOS-2-22461,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)c1,CJROMUQSUKUULS-UHFFFAOYSA-N,2,1,0.351,25,791,465.908,4.364,6,0.356,0.81,1.0,0.16062127338770474,0.22497601261051334,0.5250496881639367,0.6267647865122336,0.3843529401685971
EOS-2-22462,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccc(Cl)n6)nc5)n34)cc2)n1,OXVSESGDSAORRT-UHFFFAOYSA-N,2,1,0.329,38,787,465.908,4.364,6,0.356,0.72,1.0,0.20520355013364402,0.21462716743197863,0.5184959906791858,0.5462956617092728,0.3711555924885203
EOS-2-22463,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1,YMSUXFIDRWEMAX-UHFFFAOYSA-N,2,1,0.298,25,791,465.908,4.364,6,0.381,0.79,1.0,0.1361027345624015,0.3461979987663628,0.44140223425399217,0.596840518127613,0.38013587142759236
EOS-2-22464,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)c1,QRMIUKLZAQJTIZ-UHFFFAOYSA-N,2,1,0.316,42,725,465.908,4.364,6,0.356,0.74,1.0,0.1714155986567062,0.21463573435679528,0.584744020286478,0.6415769995202522,0.4030930882050579
EOS-2-22465,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1,FJDKRHWTHDAUQT-UHFFFAOYSA-N,2,1,0.351,9,642,465.908,4.364,6,0.381,0.75,1.0,0.17690699746419025,0.2097354533616613,0.5006253855116167,0.5658882187649921,0.36328901377561507
EOS-2-22466,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)c1,FWRVSDLJRLXPPR-UHFFFAOYSA-N,2,1,0.325,25,791,465.908,4.364,6,0.381,0.78,1.0,0.08213110821739428,0.23000479747789734,0.45218799259817694,0.6060328284558975,0.34258918168734154
EOS-2-22467,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)nc1Cl,VUMARLASEAKKQE-UHFFFAOYSA-N,2,1,0.356,38,818,465.908,4.364,6,0.381,0.7,1.0,0.1968850661366596,0.33611472825714483,0.3977880200123364,0.4625368377767117,0.3483311630457131
EOS-2-22468,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncc(Cl)cn6)cc5)n34)c2)cn1,ZRSXBGOSYNQNPP-UHFFFAOYSA-N,2,1,0.342,42,106,465.908,4.364,6,0.381,0.74,1.0,0.11938866424508258,0.19088821876499212,0.6039681995750805,0.6060413953807141,0.38007161949146734
EOS-2-22469,Cc1ccncc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)cc1,DQQBLHDSOIZKNU-UHFFFAOYSA-N,2,1,0.333,3,158,465.908,4.458,6,0.379,0.73,1.0,0.038414090877938456,0.26571174011376875,0.4661263792748955,0.5848639572339113,0.33877904187512853
EOS-2-22470,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(Cl)cc6)n5)n34)cc2)cn1,WZBOZIITAYTELV-UHFFFAOYSA-N,2,1,0.413,3,186,465.908,4.364,6,0.381,0.76,1.0,0.17691556438900694,0.379746076348434,0.5847525872112946,0.6473939414707697,0.4472020423548763
EOS-2-22471,Cc1n[nH]c(-c2ccnc(-c3cncc4nnc(-c5ccc(Cl)c(-c6ccccc6)c5)n34)n2)n1,YSFOOTZLWVKOGT-UHFFFAOYSA-N,2,1,0.302,30,298,465.908,4.662,6,0.403,0.65,0.845,0.3054365704886574,0.40348502501542044,0.3939157699952025,0.5195240216571859,0.40559034678911654
EOS-2-22472,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(Cl)nc5)nc4)n23)cc1,UXHCIDFOOQCJEB-UHFFFAOYSA-N,2,1,0.325,42,106,465.908,4.364,6,0.356,0.73,1.0,0.19972071825097662,0.2404735796038654,0.5654341717497087,0.5753118360633267,0.3952350764169693
EOS-2-22473,Cn1nc(-c2ccnc(Cl)c2)cc1-c1cncc2nnc(-c3cnc(-c4ccccc4)nc3)n12,AWPNXZYVIQMESX-UHFFFAOYSA-N,2,1,0.354,30,553,465.908,4.364,6,0.356,0.73,1.0,0.08213967514221095,0.16559008978137207,0.41534164896168874,0.48415118908916455,0.2868056507436091
EOS-2-22474,Cn1nccc1-c1cc(Cl)c(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cn1,ZLTQGBONGZJHIG-UHFFFAOYSA-N,2,1,0.329,42,171,465.908,4.364,6,0.381,0.67,1.0,0.17999965732300732,0.2454166952230827,0.6333099170721678,0.6557809608662875,0.4286268076211363
EOS-2-22475,Cc1nc(Cl)cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)n1,FGTAPJQMRYVWSE-UHFFFAOYSA-N,2,1,0.346,9,556,465.908,4.662,6,0.377,0.66,1.0,0.27539236515660337,0.2969638818449729,0.555676444383524,0.5691607840449592,0.42429836885751493
EOS-2-22476,Cc1ccc(-n2nncc2-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1Cl,KAAWPUFCHIVBGL-UHFFFAOYSA-N,2,1,0.294,42,171,465.908,4.458,6,0.379,0.69,0.994,0.014966417654718662,0.20017476526626002,0.6541960797752039,0.713067987115345,0.3956013124528819
EOS-2-22477,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccc(Cl)c4)n23)cn1,IBAUPQWFEHKZBC-UHFFFAOYSA-N,2,1,0.353,3,693,465.908,4.364,6,0.381,0.7,0.999,0.180008224247824,0.230013364402714,0.3939243369200192,0.5093122472757179,0.3283145432115688
EOS-2-22478,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3cccnc3-c3ccccc3)n12,RCRAJALRQLXOJY-UHFFFAOYSA-N,2,1,0.321,30,474,465.908,4.364,6,0.356,0.67,0.952,0.13611130148721814,0.2761805222397368,0.22129223493934616,0.3867538208484682,0.2550844698786923
EOS-2-22479,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)c(-c6cccnn6)c5)n34)c2)nn1,DIYGKUXKWQWTDC-UHFFFAOYSA-N,2,1,0.306,3,764,465.908,4.364,6,0.381,0.65,1.0,0.13063703652936742,0.30175279281749023,0.5910578438763622,0.6615550681927216,0.42125068535398535
EOS-2-22480,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,CHJZZOGSDNHSAV-UHFFFAOYSA-N,2,1,0.321,8,474,465.908,4.364,6,0.356,0.71,1.0,0.13850147351106848,0.31210163799602497,0.3676838462065657,0.5093208142005345,0.3319019429785484
EOS-2-22481,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccc(Cl)c5)n34)nc2)n[nH]1,GSSGPIUCKWZNHZ-UHFFFAOYSA-N,2,1,0.347,32,750,465.908,4.662,6,0.403,0.67,0.997,0.2650949215269687,0.3361232951819615,0.39393290384483587,0.4868840381056816,0.3705087896648619
EOS-2-22482,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)nc1,IVMKGMVTECJOMX-UHFFFAOYSA-N,2,1,0.325,70,392,465.908,4.364,6,0.356,0.68,1.0,0.1552069769035707,0.2554571311082174,0.5722877116030429,0.5818141319991775,0.3911914879035021
EOS-2-22483,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)c1,RRNQMGQUXBUOOQ-UHFFFAOYSA-N,2,1,0.346,25,791,465.908,4.364,6,0.381,0.81,1.0,0.14121718867795216,0.3265797409361935,0.4762953190322802,0.6091340552395312,0.38830657597148927
EOS-2-22484,Clc1cc(Cn2ncc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)n2)ccn1,QLIOUHDAMFQEFE-UHFFFAOYSA-N,2,1,0.299,30,371,465.908,4.209,6,0.351,0.59,0.975,0.14670002056061957,0.18680179562744156,0.3118531971763416,0.44984922212322664,0.2738010588719073
EOS-2-22485,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)nc(Cl)n1,VMZBYPJCWUUIGI-UHFFFAOYSA-N,2,1,0.304,30,945,465.908,4.458,6,0.354,0.76,1.0,0.004017887739017202,0.11789801932698239,0.40119765608937014,0.45317318895209374,0.24407168802686585
EOS-2-22486,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)cc2)nn1,HBYDKIJWIDVBON-UHFFFAOYSA-N,2,1,0.316,9,57,465.908,4.364,6,0.356,0.73,1.0,0.11111301487218148,0.22498457953533,0.5910664108011788,0.6181464601466657,0.386327616338839
EOS-2-22487,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,CVXYDPCCUABHSW-UHFFFAOYSA-N,2,1,0.337,25,791,465.908,4.364,6,0.381,0.84,1.0,0.1997292851757933,0.3938815022959358,0.44840997875402644,0.5878195462956617,0.40746007813035434
EOS-2-22488,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(Cl)n5)cn4)n23)cn1,BVLTYAOVDYXOCN-UHFFFAOYSA-N,2,1,0.329,32,392,465.908,4.364,6,0.356,0.7,1.0,0.25195325885820025,0.22499314646014668,0.42651291892262355,0.4656037968610787,0.3422657802755123
EOS-2-22489,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)nc5)n34)cn2)cn1,FTJULGODAGRYDO-UHFFFAOYSA-N,2,1,0.364,42,72,465.908,4.364,6,0.381,0.71,1.0,0.11112158179699815,0.2919436639024056,0.5754317730107601,0.6239291343979165,0.4006065382770201
EOS-2-22490,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)cc4)n23)c1,YGCCUXONTMHNRS-UHFFFAOYSA-N,2,1,0.342,25,791,465.908,4.364,6,0.356,0.77,1.0,0.2052121170584607,0.23481084230004798,0.45575183332191077,0.569169350969776,0.36623603591254883
EOS-2-22491,Cn1nc(-c2ccc(Cl)nc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,PCJWHHUIIAXNPT-UHFFFAOYSA-N,2,1,0.325,38,787,465.908,4.364,6,0.356,0.79,1.0,0.14981838119388663,0.2969724487697896,0.30468268110479063,0.4182030018504558,0.2924191282297307
EOS-2-22492,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,DKVJGOCCSBVIGQ-UHFFFAOYSA-N,2,1,0.333,3,474,465.908,4.364,6,0.356,0.69,1.0,0.14409567541635254,0.23002193132753068,0.23553046398464808,0.3867623877732849,0.24910261462545408
EOS-2-22493,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)nn1,BHTHPDLDPWOSIY-UHFFFAOYSA-N,2,1,0.313,38,787,465.908,4.364,6,0.381,0.69,1.0,0.1633198547049551,0.23003049825234734,0.5041292577616339,0.5785158659447605,0.36899886916592417
EOS-2-22494,Cn1nnc(-c2cnc(Cl)c(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)n1,NTQGCDJNOQHUOA-UHFFFAOYSA-N,2,1,0.368,93,774,465.908,4.364,6,0.356,0.73,1.0,0.2081077376464944,0.35092694126516344,0.4414108011788089,0.5691779178945926,0.39240584949626484
EOS-2-22495,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)nc4-c4ccccc4)n23)nc1,XUMTVTLUCVSVEN-UHFFFAOYSA-N,2,1,0.325,30,945,465.908,4.364,6,0.356,0.7,1.0,0.28663217051607154,0.30685868000822425,0.34899081625659656,0.45612877801384416,0.3496526111986841
EOS-2-22496,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)cc2)n1,RHDIRKFULRSSNQ-UHFFFAOYSA-N,2,1,0.325,9,339,465.908,4.364,6,0.356,0.73,1.0,0.1828524432869577,0.2454252621478994,0.5783102597491604,0.602743129326297,0.40233277362757863
EOS-2-22497,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cc(Cl)cnc4-c4ccccc4)n23)c1,AXQQPSWYRDICAG-UHFFFAOYSA-N,2,1,0.338,25,791,465.908,4.364,6,0.381,0.77,1.0,0.17416558152285655,0.20974402028647796,0.345032896991296,0.49612774998286613,0.30626756219587414
EOS-2-22498,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c(-c2ccc(Cl)cn2)n1,BVIQYEHYAUGKBU-UHFFFAOYSA-N,2,1,0.333,32,191,465.908,4.364,6,0.381,0.65,1.0,0.14410424234116923,0.26572030703858546,0.39779658693715303,0.46882496059214585,0.3191115242272634
EOS-2-22499,Cn1nc(-c2cncc(Cl)c2)cc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,NPGVDETUOXOURR-UHFFFAOYSA-N,2,1,0.317,38,608,465.908,4.364,6,0.381,0.69,1.0,0.1333527516962511,0.22500171338496333,0.4834230004797478,0.5297700637379207,0.34288688232472075
EOS-2-22500,OCc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)s1,SCQJSJXSXJHUOH-UHFFFAOYSA-N,2,1,0.495,75,278,465.926,3.472,5,0.364,0.59,1.0,0.5624271811390583,0.5813686519087109,0.2392999109039819,0.2708690288534028,0.4134911932012885
EOS-2-22501,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cscn1,JSSWIDJFYKPKKM-UHFFFAOYSA-N,2,1,0.436,49,501,465.926,3.988,5,0.355,0.63,0.997,0.6391354259475018,0.5761513946953601,0.29746933040915635,0.2767459392776369,0.44737552258241386
EOS-2-22502,COc1nnc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccsc1,ICBRNKFCAKEABV-UHFFFAOYSA-N,2,1,0.441,65,466,465.926,3.988,5,0.355,0.7,0.987,0.587888081694195,0.5571328216023577,0.3046912480296073,0.3194177917894593,0.44228248577890483
EOS-2-22503,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1csc(C)n1,IGPXSHZLAZYANV-UHFFFAOYSA-N,2,1,0.457,49,501,465.926,4.254,5,0.367,0.72,0.99,0.5362980604482215,0.49770406414913304,0.3009389349599068,0.24975155918031663,0.39617315468439446
EOS-2-22504,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1-c1ccsc1,DQVUGYWRNRVYFV-UHFFFAOYSA-N,2,1,0.432,18,840,465.926,3.988,5,0.332,0.61,0.998,0.6846857651977246,0.5663936673291755,0.28300836131862106,0.2441487903502159,0.4445591460489343
EOS-2-22505,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cn1,NUCGXIJZECQTGZ-UHFFFAOYSA-N,2,1,0.516,75,819,465.926,3.472,5,0.389,0.63,1.0,0.5762713316427935,0.605373175245014,0.33432424097046126,0.34493866081831265,0.4652268521691454
EOS-2-22506,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cc1=O,YGOOYDBHPNBSAK-UHFFFAOYSA-N,2,1,0.414,18,367,465.926,3.283,5,0.379,0.71,1.0,0.3886813789322185,0.2761890891645535,0.2790847097525872,0.3104139538071414,0.3135922829141251
EOS-2-22507,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cccnn1,WMFLDGSYEBVJGL-UHFFFAOYSA-N,2,1,0.448,49,501,465.926,3.988,5,0.355,0.56,0.997,0.6997207182509766,0.615148036460832,0.23930847782879858,0.2323778356521143,0.4466387670481804
EOS-2-22508,OCc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)cn1,VCIBLAVQDLKHFL-UHFFFAOYSA-N,2,1,0.424,31,238,465.926,3.472,5,0.389,0.59,0.995,0.5312093071071208,0.4835515043519978,0.36769241313138235,0.37410047289424986,0.43913842437118766
EOS-2-22509,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nncs1,BXBWLWVUGVURCA-UHFFFAOYSA-N,2,1,0.534,72,925,465.926,3.988,5,0.332,0.66,1.0,0.7659601809334521,0.7348451099993146,0.43390617503940787,0.38052566650675074,0.5788092831197313
EOS-2-22510,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cscn1,AGQQRPMZMCHZBH-UHFFFAOYSA-N,2,1,0.451,49,501,465.926,3.988,5,0.332,0.6,1.0,0.6479336577342197,0.5813772188335276,0.30094750188472347,0.26499211842916864,0.4488126242204098
EOS-2-22511,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1nccs1,LVKPTBSRENSEEX-UHFFFAOYSA-N,2,1,0.505,72,777,465.926,3.988,5,0.355,0.66,1.0,0.6876499211842917,0.7442173257487492,0.2830169282434377,0.2560996504694675,0.49274595641148655
EOS-2-22512,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cc1=O,KXBQOTQJSCKMTP-UHFFFAOYSA-N,2,1,0.459,58,954,465.926,3.283,5,0.379,0.65,1.0,0.5262918922623535,0.5339164553491879,0.2641354259475019,0.2856041395380714,0.4024869782742787
EOS-2-22513,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5nnc(C6CC6)o5)c4)n23)s1,HJIFWRBKKNKXEQ-UHFFFAOYSA-N,2,1,0.484,58,241,465.926,4.45,6,0.347,0.71,0.898,0.6246830237817833,0.6677660886848057,0.03387362072510452,0.12600233020355014,0.3630812658488109
EOS-2-22514,OCc1csc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)n1,OMTKEGZBXIUGMA-UHFFFAOYSA-N,2,1,0.522,58,579,465.926,3.472,5,0.389,0.74,1.0,0.6192687272976493,0.7485607566307998,0.24990576382701665,0.27087759577821946,0.47215321088342127
EOS-2-22515,COc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cn1,YMNYCLQBPGTURW-UHFFFAOYSA-N,2,1,0.511,75,819,465.926,3.988,5,0.355,0.64,1.0,0.6694966074977726,0.6776180522239736,0.31942635871427594,0.28280275512302105,0.4873359433897608
EOS-2-22516,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cc1=O,HIMYSNCJMAVBKT-UHFFFAOYSA-N,2,1,0.459,87,954,465.926,3.283,5,0.379,0.72,0.999,0.48570180248098144,0.5021674319786169,0.27909327667740386,0.3039544924953739,0.392729250908094
EOS-2-22517,OCc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,VXKZDXRTGXNLQP-UHFFFAOYSA-N,2,1,0.433,18,720,465.926,3.472,5,0.389,0.6,0.99,0.48817764375299844,0.4663234185456788,0.3266739771091769,0.3385820026043451,0.4049392605030498
EOS-2-22518,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cn1,KWUVFYBCXAKCBP-UHFFFAOYSA-N,2,1,0.479,87,903,465.926,3.988,5,0.355,0.71,1.0,0.7149355767253787,0.7442258926735659,0.30469981495442394,0.25879823178671785,0.5056648790350216
EOS-2-22519,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cc1=O,GHKMSHGXJKVAMS-UHFFFAOYSA-N,2,1,0.453,87,349,465.926,3.283,5,0.379,0.73,1.0,0.4353025837845247,0.39389006922075254,0.3303149201562607,0.357746213419231,0.37931344664519223
EOS-2-22520,COc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,FONASXRUBAZFIX-UHFFFAOYSA-N,2,1,0.462,87,227,465.926,3.988,5,0.355,0.66,1.0,0.6664125145637722,0.6580083613186211,0.3640086354602152,0.31942635871427594,0.5019639675142211
EOS-2-22521,COc1sc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)nc1C,DAZDMAQVUDPDHD-UHFFFAOYSA-N,2,1,0.473,75,99,465.926,4.254,5,0.367,0.63,0.998,0.5289733397299705,0.5021759989034337,0.23205229250908094,0.2001062298677267,0.3658269652525529
EOS-2-22522,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1nsc(C)n1,DLYFXNSTEQHOOU-UHFFFAOYSA-N,2,1,0.529,16,591,465.926,4.254,5,0.343,0.72,1.0,0.6024432869577137,0.5618960318004249,0.367700980056199,0.30396305942019053,0.459000839558632
EOS-2-22523,COc1cc(-c2nnc3cncc(OCc4cccnc4Cl)n23)ccc1-c1csc(=N)[nH]1,IYQJKLBJUJEHEE-UHFFFAOYSA-N,2,1,0.452,97,383,465.926,3.963,5,0.367,0.62,0.999,0.7243334932492632,0.5913919539442122,0.6070694263587143,0.4929922554999657,0.6039467822630389
EOS-2-22524,COc1cc(-c2nnc3cncc(OCc4ccc(-c5nnsc5C)cn4)n23)ccc1Cl,DDWRUJDASOITMG-UHFFFAOYSA-N,2,1,0.534,4,67,465.926,4.254,5,0.367,0.7,1.0,0.412497429922555,0.6628915084641217,0.3939414707696525,0.3577547803440477,0.4567712973750942
EOS-2-22525,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cnc1CO,AVVGNVWTVCZQFU-UHFFFAOYSA-N,2,1,0.452,7,85,465.926,3.738,5,0.403,0.63,0.988,0.5466554725515729,0.5813857857583442,0.3194349256390926,0.3194349256390926,0.4417277773970256
EOS-2-22526,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)cn1,ZGEYNZODAXJBCA-UHFFFAOYSA-N,2,1,0.494,7,441,465.926,4.084,5,0.354,0.65,1.0,0.4857103694057981,0.5383969570283051,0.38290727160578436,0.35443938043999723,0.4403634946199712
EOS-2-22527,OCc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)ns1,NXIVBLLWNKFAGR-UHFFFAOYSA-N,2,1,0.545,35,921,465.926,3.472,5,0.389,0.7,1.0,0.554391405661024,0.5571413885271743,0.23931704475361523,0.3039716263450072,0.4137053663217052
EOS-2-22528,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1nncs1,OIENPCNAMBLWPR-UHFFFAOYSA-N,2,1,0.5,72,925,465.926,3.988,5,0.332,0.66,1.0,0.6906055102460421,0.7118257830169282,0.3412634500719622,0.31343807826742515,0.5142832054005895
EOS-2-22529,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2)cn1,ZEBARYKDRPGUNQ-UHFFFAOYSA-N,2,1,0.432,87,367,465.926,3.988,5,0.355,0.69,1.0,0.6876584881091083,0.5813943526831609,0.3009560688095401,0.2620193955177849,0.45800707627989856
EOS-2-22530,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1csc(C)n1,QAXUHJLIUUXEHB-UHFFFAOYSA-N,2,1,0.411,49,501,465.926,4.254,5,0.343,0.7,1.0,0.505594201905284,0.543014529504489,0.31186176410115823,0.24684737166746626,0.40182946679459935
EOS-2-22531,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5csc(Cl)c5)n34)cn2)ccc1=O,QKZCJCKLNCZQER-UHFFFAOYSA-N,2,1,0.479,58,981,465.926,3.283,5,0.379,0.63,0.986,0.4980039065177164,0.4977126310739497,0.25364094304708384,0.2796672606401206,0.3822561853197176
EOS-2-22532,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)nc(C)n2)cn1,OFGGHQKLXGZGCN-UHFFFAOYSA-N,2,1,0.411,31,851,465.93,3.387,5,0.371,0.71,1.0,0.3541652388458639,0.4357566307998081,0.03388218764992119,0.04984236858337331,0.21841160646974164
EOS-2-22533,Clc1ccc(COc2cncc3nnc(-c4cc(-c5cnn(CC6CN6)c5)ncn4)n23)s1,XZYNWOAUKGFAHA-UHFFFAOYSA-N,2,1,0.373,31,395,465.93,2.71,6,0.364,0.54,0.997,0.3132753066959084,0.21464430128161197,0.1544616544445206,0.20618874648756083,0.22214250222740042
EOS-2-22534,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)cn2)nc(C)n1,HQZBLLJDKBXEHD-UHFFFAOYSA-N,2,1,0.489,31,779,465.93,3.387,5,0.371,0.64,1.0,0.43787266122952506,0.6006699335206634,0.032520046604071005,0.044342402851072577,0.278851261051333
EOS-2-22535,Cc1cnc(C)c(-c2ccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)cn2)n1,RGMUDWZKTTUCOA-UHFFFAOYSA-N,2,1,0.479,65,779,465.93,3.387,5,0.371,0.6,1.0,0.42885168939757384,0.5866458775957782,0.022668083064903023,0.03389932149955452,0.2680162428894524
EOS-2-22536,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cs1,YNOJHQNPYRXLLY-UHFFFAOYSA-N,2,1,0.731,91,485,465.941,5.637,5,0.325,0.82,1.0,0.912548831471455,0.8907631416626688,0.8395243643341787,0.8336817216092112,0.8691295147693785
EOS-2-22537,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)c2)cs1,MMGKERPFPQTUDP-UHFFFAOYSA-N,2,1,0.557,91,732,465.941,5.637,5,0.325,0.87,1.0,0.8502073195805634,0.9025769309848537,0.8238811596189431,0.8296981015694607,0.8515908779384551
EOS-2-22538,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cc2)cs1,FETSOKANCGBWGG-UHFFFAOYSA-N,2,1,0.585,91,660,465.941,5.637,5,0.325,0.74,1.0,0.9511342608457268,0.9606692481666781,0.8345212802412446,0.8336902885340278,0.8950037694469193
EOS-2-22539,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)sc1F,WWELANPVBCKYRL-UHFFFAOYSA-N,2,1,0.554,11,595,465.941,5.637,5,0.304,0.66,1.0,0.8897608114591187,0.8719673086148996,0.8363546021520115,0.8237098211226098,0.85544813583716
EOS-2-22540,Clc1cc(-c2cncs2)cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,GVMMOEZMBJCJMR-UHFFFAOYSA-N,2,1,0.38,21,107,465.969,6.902,6,0.284,0.76,1.0,0.22997052977863067,0.4221095195668563,0.9100301555753547,0.9399201562607087,0.6255075902953876
EOS-2-22541,Clc1cc(-c2cscn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,PRHRZWZCUXLZCL-UHFFFAOYSA-N,2,1,0.38,21,107,465.969,6.902,6,0.284,0.78,1.0,0.27047495031183605,0.45737954903707767,0.9072287711603043,0.9373929134397917,0.6431190459872524
EOS-2-22542,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)cc2)cn1,NQVBJQYQUIWOHK-UHFFFAOYSA-N,2,1,0.388,69,958,465.969,6.902,6,0.265,0.75,1.0,0.24115036666438217,0.3893067644438352,0.9268127612912069,0.9456000274141594,0.625717479953396
EOS-2-22543,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)c1,QIVSDNAISVUPEC-UHFFFAOYSA-N,2,1,0.417,21,695,465.969,6.902,6,0.284,0.71,1.0,0.23268624494551435,0.47489034336234665,0.9147333972997053,0.9431841546158591,0.6413735350558564
EOS-2-22544,Clc1cccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,BDLYJTDHTINYAY-UHFFFAOYSA-N,2,1,0.411,21,107,465.969,6.902,6,0.284,0.75,1.0,0.2190219998629292,0.4748989102871633,0.8221249400315263,0.8984733739976698,0.6036298060448222
EOS-2-22545,Clc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ccc1-c1ccsc1,QSXKDEXVCRQELM-UHFFFAOYSA-N,2,1,0.321,69,737,465.969,6.902,6,0.284,0.78,1.0,0.18856658213967514,0.3121102049208416,0.8936073607018025,0.9338719073401411,0.5820390137756151
EOS-2-22546,Clc1ccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1,LIBOHIBNHNBJJO-UHFFFAOYSA-N,2,1,0.42,21,107,465.969,6.902,6,0.284,0.77,1.0,0.2568449729285176,0.5384055239531218,0.8329535329997944,0.902105750119937,0.6325774450003427
EOS-2-22547,Clc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cs2)cc1,XNEOYHFKELJQSH-UHFFFAOYSA-N,2,1,0.42,21,107,465.969,6.902,6,0.284,0.81,1.0,0.24115893358919882,0.5202350764169693,0.8458724556233295,0.9067147556713042,0.6284953053252005
EOS-2-22548,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)c(C)n1,IAURXNYDNIRZAC-UHFFFAOYSA-N,2,1,0.469,87,954,465.97,4.715,5,0.346,0.7,1.0,0.442541635254609,0.49772119799876635,0.21416455349187855,0.2177455280652457,0.3430432287026249
EOS-2-22549,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)c(C)n1,GFAUMAWRKYFYEL-UHFFFAOYSA-N,2,1,0.453,87,349,465.97,4.715,5,0.346,0.68,1.0,0.38868994585703515,0.3987732163662532,0.27910184360222057,0.27364471249400313,0.335052429579878
EOS-2-22550,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cn1,OBCZNUBWITXGCF-UHFFFAOYSA-N,2,1,0.61,35,111,433.924,5.19,5,0.345,0.77,1.0,0.9259903365088068,0.9312161606469742,0.7698923994243027,0.7914896168871222,0.8546471283668015
EOS-2-22551,CCOc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4nccs4)cc3)n12,HSJYRWTXYORBEC-UHFFFAOYSA-N,2,1,0.415,96,558,433.924,5.634,5,0.359,0.82,1.0,0.372549859502433,0.5384140908779385,0.7342025906380646,0.7397710917688987,0.5962344081968336
EOS-2-22552,Clc1ccccc1CCOc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,JKAPEMWSACWHTA-UHFFFAOYSA-N,2,1,0.806,11,183,433.924,5.19,5,0.368,0.75,1.0,0.7180282365841958,0.7485693235556165,0.7443201288465492,0.7893478856829552,0.7500663936673292
EOS-2-22553,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)s1,AEQFGVBZIBOEGG-UHFFFAOYSA-N,2,1,0.605,11,922,433.924,5.19,5,0.368,0.74,1.0,0.9580306353231444,0.9415735727503255,0.710617846617778,0.7551230210403673,0.8413362689329038
EOS-2-22554,Clc1ccc(CCOc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)s1,VUVWPFYXZRRKDC-UHFFFAOYSA-N,2,1,0.523,11,848,433.924,5.19,5,0.368,0.73,0.991,0.8659618943184154,0.827033787951477,0.5351415255979713,0.6267733534370502,0.7137276403262285
EOS-2-22555,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)ccc1Cl,IGKPDVUIVCBYFW-UHFFFAOYSA-N,2,1,0.595,97,744,433.924,5.456,5,0.368,0.71,1.0,0.6664210814885888,0.807766774038791,0.8238897265437598,0.8196233979850592,0.7794252450140496
EOS-2-22556,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4nccs4)c3)n12,PZUKLFUNPHXJKW-UHFFFAOYSA-N,2,1,0.561,1,709,433.924,5.456,5,0.368,0.82,1.0,0.7423326022890823,0.8605218970598314,0.7559283119731341,0.7603745459529847,0.779789339318758
EOS-2-22557,Clc1sccc1CCOc1cncc2nnc(-c3cccc(-c4ccccn4)c3)n12,AWXHRIPCGWFIPF-UHFFFAOYSA-N,2,1,0.55,11,201,433.924,5.19,5,0.368,0.72,1.0,0.7915238845863889,0.8192207525186759,0.6818158453841409,0.7263038859570968,0.7547160921115755
EOS-2-22558,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cc1Cl,HFWGJBZAJBMJSJ-UHFFFAOYSA-N,2,1,0.57,1,230,433.924,5.456,5,0.368,0.78,1.0,0.9248338016585567,0.860530463984648,0.8509612089644302,0.8416232609142622,0.8694871838804743
EOS-2-22559,Cc1snc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ASSCWUUSYOJDEF-UHFFFAOYSA-N,2,1,0.632,1,709,433.924,5.456,5,0.368,0.79,1.0,0.9015317661572202,0.898053594681653,0.5250582550887534,0.6386471112329518,0.7408226817901447
EOS-2-22560,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)s1,ZRKUEYYKXGRVDW-UHFFFAOYSA-N,2,1,0.583,11,848,433.924,5.19,5,0.368,0.8,1.0,0.958039202247961,0.9415821396751423,0.6542046467000205,0.6990781988897266,0.8132260468782126
EOS-2-22561,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccsc4)cn3)n12,MHJSQKORMUVKJN-UHFFFAOYSA-N,2,1,0.575,97,744,433.924,5.456,5,0.368,0.69,1.0,0.6695051744225893,0.8038431224727571,0.7815005825508875,0.7893564526077719,0.7610513330135015
EOS-2-22562,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)s1,ANAPLSSMWXZTPA-UHFFFAOYSA-N,2,1,0.455,11,848,433.924,5.19,5,0.368,0.77,1.0,0.7830854636419711,0.7742529641559865,0.607077993283531,0.6878126927558084,0.7130572784593242
EOS-2-22563,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)cc1,IJGRUSMMOUJPDF-UHFFFAOYSA-N,2,1,0.636,35,201,433.924,5.19,5,0.368,0.78,1.0,0.89993831814132,0.8980621616064698,0.7366184634363648,0.782237338085121,0.829214070317319
EOS-2-22564,Cc1cscc1COc1cncc2nnc(-c3cncc(-c4cccc(Cl)c4)c3)n12,BHAUZPIZMNBQRK-UHFFFAOYSA-N,2,1,0.506,2,884,433.924,5.456,5,0.368,0.81,1.0,0.6303286272359674,0.7395911863477486,0.8047340826536906,0.819631964909876,0.7485714652868205
EOS-2-22565,Cc1nc(-c2cc(-c3cncc4nnc(-c5cccc(Cl)c5)n34)n(C)n2)n(C(C)C)n1,IMJBSWAZPSWWGV-UHFFFAOYSA-N,2,1,0.418,22,542,433.907,3.993,5,0.425,0.71,0.998,0.0657597148927421,0.18681036255225825,0.07005174422589268,0.09314817353162909,0.10394249880063053
EOS-2-22566,Clc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc5ccccc5c4)n23)c1,PCVASACLCFEMGR-UHFFFAOYSA-N,2,1,0.4,69,220,433.902,6.327,6,0.327,0.79,1.0,0.2519618257830169,0.42211808649167293,0.8889041189774518,0.9447776026317593,0.6269404084709752
EOS-2-22567,CCn1nc(-c2cc(Cl)ccc2F)nc1-c1cncc2nnc(-c3ccc(C)cc3)n12,VEHPJPSGLFBPMF-UHFFFAOYSA-N,2,1,0.354,22,316,433.878,4.838,5,0.405,0.79,1.0,0.21903056678774588,0.43983448701254196,0.40120622301418685,0.5753204029881434,0.4088479199506545
EOS-2-22568,Cn1c(Cl)ccc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)c1,JYCPCCJKJWAWGK-UHFFFAOYSA-N,2,1,0.625,43,709,433.874,5.168,5,0.384,0.81,1.0,0.8725584264272497,0.8541738057706806,0.9409224864642588,0.9424559660064423,0.9025276711671578
EOS-2-22569,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)nn1,MPQBAMGNIUFJGU-UHFFFAOYSA-N,2,1,0.466,20,279,433.863,2.652,5,0.402,0.69,1.0,0.38426941265163456,0.48819477760263175,0.1737800699061065,0.20899869782742786,0.31381073949695015
EOS-2-22570,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1,GABCAEKMUOIPAK-UHFFFAOYSA-N,2,1,0.523,36,734,433.863,2.652,5,0.402,0.74,1.0,0.7915324515112055,0.7395997532725653,0.1516088684805702,0.18917483380165856,0.46797897676649985
EOS-2-22571,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cnn2)cn1,PSDVIFQLILUEFK-UHFFFAOYSA-N,2,1,0.489,92,778,433.863,2.652,5,0.402,0.52,1.0,0.4633335617846618,0.497729764923583,0.26790487286683573,0.28561270646288806,0.37864522650949217
EOS-2-22572,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cnn1,YDPRTMASFJDBRL-UHFFFAOYSA-N,2,1,0.448,31,954,433.863,2.652,5,0.376,0.65,0.99,0.47841134946199715,0.44428928791720923,0.207422383661161,0.23833184839969845,0.3421137173600165
EOS-2-22573,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,VEIIIEXPKRKLNR-UHFFFAOYSA-N,2,1,0.466,20,279,433.863,2.652,5,0.402,0.68,1.0,0.4565314234802275,0.49280378315399903,0.18013672812007403,0.22055547940511275,0.3375068535398533
EOS-2-22574,Cc1cncc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)c(Cl)c4)n23)n1,MVVSLEDVQWVZLK-UHFFFAOYSA-N,2,1,0.477,36,610,433.863,2.918,5,0.416,0.66,1.0,0.39738537454595296,0.5108114591186348,0.20743095058597766,0.21775409499006237,0.333345469810157
EOS-2-22575,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ncn1,RUEJVGKNVYMXLT-UHFFFAOYSA-N,2,1,0.415,31,194,433.863,2.652,5,0.402,0.59,0.967,0.5653399355767253,0.39878178329106984,0.17378863683092316,0.2061973134123775,0.33602691727777395
EOS-2-22576,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)cn1,POMYGLZHDPKZAZ-UHFFFAOYSA-N,2,1,0.454,65,823,433.863,2.652,5,0.376,0.72,1.0,0.5791840860804606,0.5814029196079775,0.1453293125899527,0.16197484750873825,0.3669727914467823
EOS-2-22577,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)n[nH]1,XBDKCSWZWIGUGR-UHFFFAOYSA-N,2,1,0.484,87,227,433.863,2.95,5,0.434,0.7,1.0,0.585001028030978,0.6430847782879857,0.18337502570077446,0.20620588033719417,0.4044166780892331
EOS-2-22578,Cn1nccc1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)nc3)n12,JVNGRASEYSNQDA-UHFFFAOYSA-N,2,1,0.468,53,602,433.863,2.652,5,0.402,0.64,1.0,0.4954852306216161,0.552429579878007,0.16101535192927147,0.172580700431773,0.34537771571516684
EOS-2-22579,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)cn1,JKQOLTDKOVQALH-UHFFFAOYSA-N,2,1,0.375,31,395,433.863,3.092,5,0.376,0.68,1.0,0.25685353985333426,0.260340278253718,0.2791104105270372,0.26500068535398535,0.2653262284970187
EOS-2-22580,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2)n(C)n1,HQROQKSUSAMAOM-UHFFFAOYSA-N,2,1,0.488,36,320,433.863,2.918,5,0.416,0.7,1.0,0.4565399904050442,0.47490747721198,0.13953807141388527,0.13910972517305187,0.3025238160509903
EOS-2-22581,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)cn1,NIBWFKVAXNFNRM-UHFFFAOYSA-N,2,1,0.505,65,434,433.863,2.652,5,0.376,0.69,1.0,0.5081214447262011,0.6053817421698308,0.2607343567952848,0.23531629086423136,0.40238845863888706
EOS-2-22582,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)c1,LOXYPQDATMYHNF-UHFFFAOYSA-N,2,1,0.462,65,184,433.863,2.652,5,0.402,0.62,1.0,0.5155147008429855,0.4882033445274484,0.1220701117126996,0.15139469536015351,0.3192957131108217
EOS-2-22583,Cc1c[nH]c(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)n1,LUIGGMZMCKZGKW-UHFFFAOYSA-N,2,1,0.434,20,822,433.863,2.95,5,0.434,0.64,0.999,0.5006168185868001,0.5524381468028237,0.1866390240559249,0.20011479679254335,0.359952196559523
EOS-2-22584,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,SGUWNLPHSCPFSS-UHFFFAOYSA-N,2,1,0.483,65,349,433.863,2.652,5,0.376,0.57,1.0,0.4586731546843945,0.47491604413679667,0.3009646357343568,0.3134466451922418,0.38700011993694744
EOS-2-22585,Cn1cnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)n1,QQJKICOKLYUUIV-UHFFFAOYSA-N,2,1,0.5,87,349,433.863,2.652,5,0.402,0.64,1.0,0.46334212870947844,0.5067507367555343,0.18338359262559112,0.21515831677061203,0.34215869371530394
EOS-2-22586,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nc1,TXRWTHUWUSSBND-UHFFFAOYSA-N,2,1,0.418,31,954,433.863,2.652,5,0.376,0.68,1.0,0.42401137687615653,0.4398430539373586,0.1769755328627236,0.20900726475224454,0.31245930710712083
EOS-2-22587,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4cnnc(Cl)c4)n23)c1,ULLLGHSJUVFLRW-UHFFFAOYSA-N,2,1,0.518,15,475,433.863,2.652,5,0.402,0.64,1.0,0.5494225892673565,0.5866544445205949,0.24991433075183334,0.2885854293742718,0.41864419847851414
EOS-2-22588,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,PRGFNTTXZXKSGB-UHFFFAOYSA-N,2,1,0.453,92,349,433.863,2.652,5,0.402,0.72,1.0,0.4016088684805702,0.43576519772462474,0.24992289767665,0.2620279624426016,0.3373312315811116
EOS-2-22589,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cc1,NVSTWSXVRWLMPJ-UHFFFAOYSA-N,2,1,0.465,36,734,433.863,3.092,5,0.402,0.68,1.0,0.49549379754643275,0.5202436433417861,0.17036186690425606,0.19450346103762595,0.34515069220752526
EOS-2-22590,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cn2)c1,CDVCEXKYTFPVHT-UHFFFAOYSA-N,2,1,0.505,65,823,433.863,2.652,5,0.376,0.63,1.0,0.7149441436501953,0.7254471934754301,0.22130080186416284,0.20314748817764375,0.46620990679185803
EOS-2-22591,CCn1cc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,VMHIAVLOALZVKR-UHFFFAOYSA-N,2,1,0.394,92,182,433.863,3.092,5,0.402,0.68,1.0,0.2754009320814201,0.25546569803303404,0.297477897333973,0.30718422315125765,0.2838821876499212
EOS-2-22592,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cc(Cl)n(C)n5)nc4)n23)n1,VGYMHPPEGLOJDS-UHFFFAOYSA-N,2,1,0.446,92,617,433.863,2.918,5,0.416,0.6,1.0,0.4217754094990062,0.5430230964293057,0.18014529504489069,0.1592248646425879,0.3260421664039477
EOS-2-22593,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)cn1,GEKCTMMVNULNDB-UHFFFAOYSA-N,2,1,0.489,65,795,433.863,2.652,5,0.402,0.67,1.0,0.5966520457816462,0.5914005208690288,0.12735590432458366,0.14148276334726886,0.36422280858063194
EOS-2-22594,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)c1,XQCMSABPDNPPBZ-UHFFFAOYSA-N,2,1,0.479,58,779,433.863,2.652,5,0.402,0.69,1.0,0.5569100815571243,0.6629000753889384,0.1641422794873552,0.18098485367692413,0.3912343225275855
EOS-2-22595,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)cn4)n23)ccc1Cl,PAPKSQARTPNHDO-UHFFFAOYSA-N,2,1,0.535,36,728,433.863,2.918,5,0.416,0.76,1.0,0.43102768830100746,0.6534764580906038,0.2570077445000343,0.30398019326982384,0.4113730210403673
EOS-2-22596,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)cc1,AQJWMHGJLLNLIW-UHFFFAOYSA-N,2,1,0.483,36,734,433.863,3.092,5,0.376,0.61,1.0,0.5263004591871702,0.5430316633541225,0.21417312041669523,0.22637242135563018,0.3774694160784045
EOS-2-22597,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccncn1,RJMLCRATWGJRDD-UHFFFAOYSA-N,2,1,0.453,31,477,433.863,2.652,5,0.402,0.64,0.994,0.4353111507093414,0.3751370707970667,0.15447022136933727,0.1862363785895415,0.28778870536632173
EOS-2-22598,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,UENKLFFGZLJAMY-UHFFFAOYSA-N,2,1,0.63,15,447,433.863,2.652,5,0.402,0.73,1.0,0.7391714070317319,0.739608320197382,0.16724350627098897,0.22638098828044684,0.4681010554451374
EOS-2-22599,Cn1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1-c1cnccn1,CTBRXOWDWGAALD-UHFFFAOYSA-N,2,1,0.518,65,324,433.863,2.652,5,0.376,0.69,1.0,0.48314885888561443,0.42212665341648964,0.18339215955040777,0.2205640463299294,0.32730792954561033
EOS-2-22600,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1,NBHQKROLZOKSLC-UHFFFAOYSA-N,2,1,0.5,72,475,433.863,2.652,5,0.402,0.68,1.0,0.6331814131999177,0.6677746556096223,0.18992015626070866,0.22638955520526352,0.42931644506887806
EOS-2-22601,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cn1,YDPLNLWRSBLGND-UHFFFAOYSA-N,2,1,0.438,20,822,433.863,2.652,5,0.402,0.72,1.0,0.41250599684737166,0.43577376464944145,0.2536495099719005,0.265009252278802,0.34173463093687895
EOS-2-22602,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)cn1,RJFCQZAYAKHMGG-UHFFFAOYSA-N,2,1,0.453,65,349,433.863,2.652,5,0.402,0.61,1.0,0.41703790007538893,0.42642724967445683,0.21100335823452812,0.232386402576931,0.32171372764032624
EOS-2-22603,Cn1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)n1,TXMPXUCNNWSHQG-UHFFFAOYSA-N,2,1,0.517,87,349,433.863,2.652,5,0.402,0.64,1.0,0.503066959084367,0.52486121581797,0.18015386196970734,0.20315605510246043,0.3528095229936262
EOS-2-22604,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2)n1,SRMCKVWXXDAQCP-UHFFFAOYSA-N,2,1,0.517,20,320,433.863,2.652,5,0.402,0.69,1.0,0.5762798985676102,0.6430933452128024,0.15161743540538689,0.16708930162428895,0.3845199952025221
EOS-2-22605,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)cn2)c1,RIGLDBCZBMWOLQ-UHFFFAOYSA-N,2,1,0.479,65,823,433.863,2.652,5,0.402,0.65,1.0,0.5819169350969776,0.662908642313755,0.13323281474881776,0.15662051949832087,0.3836697279144678
EOS-2-22606,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)n[nH]1,FLVHFPXWAKIBJS-UHFFFAOYSA-N,2,1,0.479,87,349,433.863,2.95,5,0.434,0.65,1.0,0.5762884654924268,0.6288551161675006,0.18664759098074155,0.22057261325474609,0.40309094647385374
EOS-2-22607,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ncn1,ZJGIMTOXVFUCMI-UHFFFAOYSA-N,2,1,0.415,31,194,433.863,2.652,5,0.376,0.57,1.0,0.5363066273730381,0.3987903502158865,0.2679134397916524,0.27365327941881984,0.3691659241998492
EOS-2-22608,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)c1,RKYLIVWVSGVYHT-UHFFFAOYSA-N,2,1,0.482,20,931,433.863,2.652,5,0.402,0.58,1.0,0.4471249400315263,0.4620228222877116,0.10530463984648071,0.14375299842368583,0.2895513501473511
EOS-2-22609,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,ZODKUTIQYVIOKW-UHFFFAOYSA-N,2,1,0.482,20,931,433.863,2.652,5,0.402,0.67,1.0,0.45868172160921117,0.4794907819888973,0.1363940100061682,0.1670978685491056,0.31041609553834554
EOS-2-22610,Cn1nc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1-c1cncc(Cl)c1,RNCJBZZEPNOYSX-UHFFFAOYSA-N,2,1,0.404,95,235,433.863,2.652,5,0.402,0.69,1.0,0.3973939414707697,0.35093550818998015,0.14840483859913645,0.20621444726201082,0.27573718388047425
EOS-2-22611,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cn1,HXMAWGNKLPNVPI-UHFFFAOYSA-N,2,1,0.411,51,196,433.863,3.092,5,0.402,0.66,1.0,0.41038996641765474,0.43985162086217533,0.16725207319580562,0.1644164210814886,0.2954775203892811
EOS-2-22612,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cnccn1,ZDUUYDGPWYBQHX-UHFFFAOYSA-N,2,1,0.452,31,569,433.863,2.652,5,0.402,0.62,1.0,0.4103985333424714,0.3509440751147968,0.13954663833870193,0.1780378315399904,0.26973176958399014
EOS-2-22613,COc1nc(Cl)cc(-c2cncc3nnc(-c4ccc(-c5nnc(C)n5C)cc4)n23)n1,GNJZCASSIVCYEA-UHFFFAOYSA-N,2,1,0.358,61,882,433.863,3.014,5,0.398,0.76,1.0,0.2810551024604208,0.27619765608937014,0.08345041463916113,0.08213967514221095,0.18071071208279077
EOS-2-22614,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)cn1,NQNXDNOTCOQOJD-UHFFFAOYSA-N,2,1,0.389,92,468,433.863,3.092,5,0.376,0.75,1.0,0.3541738057706806,0.4442978548420259,0.1672606401206223,0.16442498800630526,0.2825393221849085
EOS-2-22615,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)n1,QMYNLGJFQPLBJW-UHFFFAOYSA-N,2,1,0.484,58,602,433.863,2.652,5,0.402,0.62,1.0,0.48571893633061475,0.5914090877938455,0.15162600233020354,0.1671064354739223,0.34896511548214654
EOS-2-22616,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)c2)cn1,RAFUWKIMLAXDCA-UHFFFAOYSA-N,2,1,0.398,18,711,433.863,2.652,5,0.376,0.74,1.0,0.3426684257418957,0.34620656569117947,0.16726920704543896,0.18361489959564115,0.2599397745185388
EOS-2-22617,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cn1,JFXLGEMAPOXCJY-UHFFFAOYSA-N,2,1,0.404,92,986,433.863,2.918,5,0.389,0.76,1.0,0.40161743540538686,0.4705897471043794,0.16102391885408815,0.14871324789253648,0.29548608731409776
EOS-2-22618,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)n1,UTKBUNDTGOOJQF-UHFFFAOYSA-N,2,1,0.5,87,304,433.863,2.652,5,0.402,0.67,0.999,0.5414467822630389,0.643101912137619,0.14841340552395313,0.17804639846480708,0.3777521245973545
EOS-2-22619,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,LLOTWURLHXFDSR-UHFFFAOYSA-N,2,1,0.484,65,349,433.863,2.652,5,0.402,0.63,1.0,0.5030755260091837,0.4977383318483997,0.29748646425878966,0.32876430676444385,0.4067661572202042
EOS-2-22620,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)n1,FTUWDPLVPCATAI-UHFFFAOYSA-N,2,1,0.535,15,482,433.863,2.652,5,0.402,0.68,1.0,0.687667055033925,0.7118343499417449,0.14533787951476937,0.1644335549311219,0.42731820985539026
EOS-2-22621,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)n1,FTCXTIYUNXRKKI-UHFFFAOYSA-N,2,1,0.479,58,954,433.863,2.652,5,0.376,0.69,1.0,0.5263090261119868,0.6384415050373518,0.12471729148104996,0.14872181481735317,0.3595474093619354
EOS-2-22622,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)cn1,HTVSQQXJDOMAFS-UHFFFAOYSA-N,2,1,0.478,92,329,433.863,2.652,5,0.402,0.69,1.0,0.4240199438009732,0.4620313892125283,0.2074395175107943,0.22058118017956274,0.3285180076759646
EOS-2-22623,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cnccn1,AAAOYDYZNPNXGY-UHFFFAOYSA-N,2,1,0.444,31,569,433.863,2.652,5,0.376,0.55,1.0,0.4310362552258241,0.3462151326159962,0.1899287231855253,0.22333972997052978,0.29762996024946886
EOS-2-22624,Cn1nc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ccc(Cl)nc1,VGONZDXWSUXTPD-UHFFFAOYSA-N,2,1,0.417,20,658,433.863,2.652,5,0.376,0.72,0.999,0.3818364060037009,0.37975464327325065,0.16727777397025564,0.19711637310670962,0.28149629908847923
EOS-2-22625,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)c1,LKKKWCMLGIFPKX-UHFFFAOYSA-N,2,1,0.44,31,194,433.863,2.652,5,0.376,0.65,0.993,0.562435748063875,0.47059831402919605,0.2427352477554657,0.24685593859228291,0.38065631211020484
EOS-2-22626,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cn1,BHVMQXJSVDMYGI-UHFFFAOYSA-N,2,1,0.463,20,279,433.863,2.652,5,0.402,0.69,1.0,0.44713350695634296,0.5480004797477898,0.2037985744637105,0.2151668836954287,0.35352486121581794
EOS-2-22627,Cn1nc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1-c1ccc(Cl)nc1,CNYZOADAIXUWEG-UHFFFAOYSA-N,2,1,0.418,95,235,433.863,2.652,5,0.376,0.74,1.0,0.3680008224247824,0.3938986361455692,0.15163456925502022,0.1945120279624426,0.2770115139469536
EOS-2-22628,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)n1,ASNSTVWGXXMPKF-UHFFFAOYSA-N,2,1,0.516,87,579,433.863,2.652,5,0.402,0.67,1.0,0.5819255020217943,0.6580169282434377,0.14534644643958605,0.16711500239873894,0.38810096977588926
EOS-2-22629,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cn1,MSFOBFRTCPFIFE-UHFFFAOYSA-N,2,1,0.426,51,196,433.863,2.918,5,0.416,0.75,1.0,0.42648721814817353,0.46633198547049554,0.1610324857789048,0.14644301281611952,0.30007367555342335
EOS-2-22630,Cn1ncnc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,ZXMSKCPGGOJOBD-UHFFFAOYSA-N,2,1,0.473,31,367,433.863,2.652,5,0.402,0.67,0.985,0.4905763827016654,0.4176718525118224,0.14842197244876978,0.1809934206017408,0.3094159070659996
EOS-2-22631,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccn(C)n5)n34)c2)nc1Cl,PBYDRUWNTCLCFN-UHFFFAOYSA-N,2,1,0.398,7,544,433.863,2.918,5,0.416,0.68,1.0,0.23835754917414845,0.29195223082722227,0.17037043382907271,0.1514032622849702,0.21302086902885342
EOS-2-22632,CCn1cc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ccn2)cn1,WNBSMIFUOGEVRA-UHFFFAOYSA-N,2,1,0.415,51,329,433.863,3.092,5,0.376,0.71,1.0,0.31328387362072513,0.3702624905763827,0.17379720375573984,0.17258926735658967,0.2574832088273593
EOS-2-22633,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)n(C)n1,JQYYTCKZGFGWRP-UHFFFAOYSA-N,2,1,0.466,75,565,433.863,2.918,5,0.389,0.68,1.0,0.39307621136316906,0.42643581659927354,0.14843053937358647,0.1644421218559386,0.28309617229799194
EOS-2-22634,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)cn1,OLYLXUHQILFWRZ-UHFFFAOYSA-N,2,1,0.426,92,395,433.863,3.092,5,0.376,0.7,1.0,0.2704835172366527,0.22501028030978001,0.2714772805153862,0.25610821739428413,0.2557698238640258
EOS-2-22635,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2C)c1,DYZVOAFCSQOSRW-UHFFFAOYSA-N,2,1,0.376,51,924,433.863,2.918,5,0.416,0.67,1.0,0.27832225344390377,0.2865636351175382,0.15776848742375438,0.16712356932355563,0.222444486327188
EOS-2-22636,Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nncn1C,UQGJBLLWUVLXPP-UHFFFAOYSA-N,2,1,0.472,36,208,433.863,2.918,5,0.416,0.67,1.0,0.4806815845384141,0.5067593036803509,0.207448084435611,0.21517545062024535,0.35251610581865533
EOS-2-22637,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCc4cccnc4Cl)n23)c1,BABFMDWAHCSLOX-UHFFFAOYSA-N,2,1,0.424,92,36,433.863,3.092,5,0.376,0.61,1.0,0.4217839764238229,0.40349359194023715,0.21418168734151188,0.2497601261051333,0.3223048454526763
EOS-2-22638,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nn2C)cn1,JBZJGUKFJRYERI-UHFFFAOYSA-N,2,1,0.472,31,694,433.863,2.918,5,0.389,0.67,1.0,0.347431635939963,0.2865722020423549,0.20745665136042765,0.2031646220272771,0.26115627784250567
EOS-2-22639,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,DNEMORVWAVZXGC-UHFFFAOYSA-N,2,1,0.446,55,45,433.863,3.092,5,0.402,0.63,1.0,0.5106401206223015,0.4977468987732164,0.18665615790555823,0.2295593173874306,0.3561506236721267
EOS-2-22640,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)n1,NKACGCYSEYWNAV-UHFFFAOYSA-N,2,1,0.448,87,838,433.863,2.652,5,0.402,0.67,1.0,0.4217925433486396,0.47060688095401276,0.19337262696182578,0.2090158316770612,0.3236969707353848
EOS-2-22641,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1,VCKRILRAPPHDMN-UHFFFAOYSA-N,2,1,0.483,36,734,433.863,3.092,5,0.402,0.69,1.0,0.5363151942978548,0.5430402302789391,0.1672863408950723,0.19190768281817558,0.3596373620725104
EOS-2-22642,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,DBNSCDUYDWMNEK-UHFFFAOYSA-N,2,1,0.489,58,602,433.863,2.652,5,0.402,0.69,1.0,0.5106486875471181,0.6053903090946474,0.15777705434857103,0.17259783428140635,0.36160347131793574
EOS-2-22643,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,RPTWWOJRWRRVPU-UHFFFAOYSA-N,2,1,0.457,87,184,433.863,2.652,5,0.402,0.67,1.0,0.4831574258104311,0.4663405523953122,0.15164313617983688,0.17522788020012336,0.31909224864642594
EOS-2-22644,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)nn1,XNBBANNFZNQBDQ-UHFFFAOYSA-N,2,1,0.5,58,819,433.863,2.652,5,0.376,0.74,1.0,0.3994585703515866,0.4749246110616133,0.16729490781988898,0.20012336371736,0.31045036323761227
EOS-2-22645,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2C)cn1,GBMMWYXRECAHGD-UHFFFAOYSA-N,2,1,0.418,51,924,433.863,2.918,5,0.416,0.65,1.0,0.2893907203070386,0.3068672469330409,0.15778562127338772,0.1538191350832705,0.22696568089918442
EOS-2-22646,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cccnc1,BINYCWHRNYKCSQ-UHFFFAOYSA-N,2,1,0.438,95,602,433.863,2.652,5,0.402,0.7,1.0,0.37027962442601603,0.36059043245836475,0.11912308957576588,0.16198341443355493,0.2529941402234254
EOS-2-22647,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2)n1,QUTITLQQRTXEPS-UHFFFAOYSA-N,2,1,0.61,15,447,433.863,2.652,5,0.402,0.75,1.0,0.6816787745870743,0.702445000342677,0.1738057706805565,0.22058974710437942,0.4446298231786718
EOS-2-22648,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)nn1C,LFRIEKPSCYUPLZ-UHFFFAOYSA-N,2,1,0.448,92,36,433.863,2.918,5,0.389,0.67,1.0,0.42180111027345624,0.439860187786992,0.17381433760537318,0.17805496538962373,0.3033826502638613
EOS-2-22649,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ncn1,DXVFVEYHFNHYBI-UHFFFAOYSA-N,2,1,0.432,31,194,433.863,2.652,5,0.402,0.61,0.762,0.5414553491878555,0.38931533136865193,0.1395552052635186,0.16445068878075525,0.3086941436501954
EOS-2-22650,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,PJOAFZJFZMSJQJ-UHFFFAOYSA-N,2,1,0.479,65,349,433.863,2.652,5,0.376,0.59,1.0,0.4784199163868138,0.4882119114522651,0.3118703310259749,0.3287728736892605,0.4018187581385786
EOS-2-22651,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,UBPOIRZCZNVXJZ-UHFFFAOYSA-N,2,1,0.595,15,447,433.863,2.652,5,0.376,0.76,1.0,0.7570163114248509,0.7529984236858337,0.21419025426632857,0.2620365293674183,0.4965603796861079
EOS-2-22652,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1,JJIBDROSUKCCFI-UHFFFAOYSA-N,2,1,0.575,15,447,433.863,2.652,5,0.402,0.74,1.0,0.7391799739565486,0.7071482420670276,0.2110119251593448,0.2736618463436365,0.48275049688163935
EOS-2-22653,CCn1cc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,LUEUPGATPFPCAC-UHFFFAOYSA-N,2,1,0.446,92,182,433.863,3.092,5,0.402,0.63,1.0,0.21096909053526147,0.27620622301418685,0.25365807689671716,0.26501781920361867,0.251462802412446
EOS-2-22654,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ccn2)c1,QDCOIIGUAHYBFZ-UHFFFAOYSA-N,2,1,0.473,75,359,433.863,2.652,5,0.402,0.65,1.0,0.5363237612226716,0.5664022342539922,0.13956377218833527,0.16445925570557193,0.35168725584264277
EOS-2-22655,CCn1ncnc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c1,UTGNYNUGHJJISU-UHFFFAOYSA-N,2,1,0.472,92,36,433.863,3.092,5,0.376,0.7,0.986,0.3157597148927421,0.3221420738811596,0.189937290110342,0.21776266191487903,0.26140043519978073
EOS-2-22656,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nn2C)cn1,MNMHZMBQPYEOIW-UHFFFAOYSA-N,2,1,0.478,92,462,433.863,2.918,5,0.416,0.59,0.914,0.23269481187033103,0.30687581385785756,0.21757418956891234,0.22059831402919608,0.24443578233157426
EOS-2-22657,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ncn1,VCTFMSSUMPUEQC-UHFFFAOYSA-N,2,1,0.419,31,194,433.863,2.652,5,0.376,0.63,1.0,0.5389281063669386,0.3893238982934686,0.25701631142485093,0.26204509629223494,0.3618283530943733
EOS-2-22658,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nn1,ZMWNBVSBEWJEKU-UHFFFAOYSA-N,2,1,0.511,65,578,433.863,2.652,5,0.376,0.71,1.0,0.4980124734425331,0.5960352271948461,0.24274381468028236,0.2620536632170516,0.39971129463367827
EOS-2-22659,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ncn1,GCQISJLHFROFDI-UHFFFAOYSA-N,2,1,0.354,31,395,433.863,3.092,5,0.376,0.61,1.0,0.4264957850729902,0.35095264203961346,0.27564080597628676,0.2708861627030361,0.3309938489479816
EOS-2-22660,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccn1,VIJKPVYVWCXYEP-UHFFFAOYSA-N,2,1,0.517,65,359,433.863,2.652,5,0.402,0.64,0.953,0.47345966691796315,0.4928123500788157,0.23932561167843192,0.2796758275649373,0.37131836406003704
EOS-2-22661,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)n1,PJMZAWXKCHQSTP-UHFFFAOYSA-N,2,1,0.482,20,931,433.863,2.652,5,0.402,0.66,1.0,0.44958364745390994,0.5294102528956206,0.13640257693098484,0.15923343156740458,0.31865747721198
EOS-2-22662,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3nc(-c4ncccn4)nn3C)n12,HDWLGGWXJCKAJP-UHFFFAOYSA-N,2,1,0.488,36,242,433.863,2.918,5,0.416,0.66,0.999,0.39308477828798577,0.6151566033856487,0.04698958261942293,0.08557501199369474,0.285201494071688
EOS-2-22663,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)cn2)n1,JTVDARFIHWWRPL-UHFFFAOYSA-N,2,1,0.478,65,795,433.863,2.652,5,0.402,0.59,1.0,0.5440853951065725,0.5761599616201768,0.12207867863751627,0.13671955314920156,0.3447608971283668
EOS-2-22664,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cn1,KRMOCJQQXDVXED-UHFFFAOYSA-N,2,1,0.479,92,602,433.863,2.652,5,0.402,0.68,1.0,0.4425502021794257,0.557149955451991,0.2003718045370434,0.21218559385922828,0.35306438900692205
EOS-2-22665,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1,QWNVNJLZFYIZGN-UHFFFAOYSA-N,2,1,0.435,92,860,433.863,3.092,5,0.402,0.68,1.0,0.2921492700980056,0.4129686107874717,0.20038037146186005,0.19712494003152628,0.2756557980947159
EOS-2-22666,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2)cn1,JUXGSLIGYNHXKW-UHFFFAOYSA-N,2,1,0.449,53,44,433.863,2.652,5,0.376,0.65,1.0,0.4659036392296621,0.43986875471180864,0.2570248783496676,0.27367041326845315,0.35911692138989787
EOS-2-22667,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nn2)cn1,WPIHHBZAYKVODU-UHFFFAOYSA-N,2,1,0.457,53,44,433.863,2.652,5,0.402,0.66,0.982,0.43531971763415805,0.4264443835240902,0.2003889383866767,0.22639812213008018,0.3221377904187513
EOS-2-22668,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2)cn1,ZILXSIAZJLCNGG-UHFFFAOYSA-N,2,1,0.421,53,44,433.863,2.652,5,0.376,0.69,0.999,0.39740250839558633,0.4035021588650538,0.17382290453018984,0.20317318895209377,0.29447519018573093
EOS-2-22669,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCc4ncccc4Cl)n23)c1,QEGBCEPRADIFGY-UHFFFAOYSA-N,2,1,0.408,53,643,433.863,3.092,5,0.402,0.64,0.681,0.2568621067781509,0.2969810156946063,0.2213093687889795,0.25611678431910084,0.25781731889520937
EOS-2-22670,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)cn1,MIAHXTQWYJLNSL-UHFFFAOYSA-N,2,1,0.415,92,468,433.863,3.092,5,0.402,0.66,1.0,0.3132924405455418,0.4221352203413063,0.21758275649372902,0.2001319306421767,0.28828558700568846
EOS-2-22671,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cn1,DQLMXIZGIQGDOV-UHFFFAOYSA-N,2,1,0.464,58,954,433.863,2.652,5,0.376,0.69,1.0,0.565348502501542,0.5914176547186621,0.12208724556233294,0.15141182920978685,0.357566307998081
EOS-2-22672,Cn1nc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)cc1-c1ccccn1,VHGFKWIYSAYEFT-UHFFFAOYSA-N,2,1,0.426,31,477,433.863,2.652,5,0.402,0.66,0.991,0.375,0.3121187718456583,0.06379788910972517,0.0991878555273799,0.21252612912069083
EOS-2-22673,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,LGDXPYYTLGCOFY-UHFFFAOYSA-N,2,1,0.482,15,482,433.863,2.652,5,0.402,0.66,1.0,0.5596172297991913,0.5339250222740045,0.13324138167363445,0.1644678226303886,0.34781286409430473
EOS-2-22674,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,BHGFFGVOLHOHIR-UHFFFAOYSA-N,2,1,0.588,15,447,433.863,2.652,5,0.376,0.72,1.0,0.7659687478582689,0.7572904530189843,0.22131793571379618,0.2736789801932698,0.5045640291960798
EOS-2-22675,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,ABFWDHHNZSKZMW-UHFFFAOYSA-N,2,1,0.516,87,45,433.863,2.652,5,0.402,0.67,1.0,0.6219844424645329,0.6197827427866494,0.14247652662600233,0.172606401206223,0.3892125282708519
EOS-2-22676,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cn1,VNJVKEKFBVYGRW-UHFFFAOYSA-N,2,1,0.417,92,94,433.863,2.918,5,0.416,0.72,1.0,0.34744020286477967,0.44865841957370983,0.19675656226440957,0.18100198752655747,0.2934642930573641
EOS-2-22677,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)n(C)n1,PAUFXVMOJCVQRC-UHFFFAOYSA-N,2,1,0.443,92,36,433.863,2.918,5,0.389,0.75,1.0,0.3953550133644027,0.4129771777122884,0.18994585703515865,0.20318175587691042,0.30036495099719007
EOS-2-22678,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)n[nH]1,FJCHJDTXRUTJDF-UHFFFAOYSA-N,2,1,0.505,65,578,433.863,2.95,5,0.406,0.72,1.0,0.6695137413474059,0.7915667192104722,0.2003975053114934,0.21518401754506203,0.4691654958536084
EOS-2-22679,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)nn1,XNGUXQOCCYJCEV-UHFFFAOYSA-N,2,1,0.516,65,981,433.863,2.652,5,0.402,0.7,0.999,0.5155232677678021,0.5866630114454116,0.22838564868754713,0.2650263861284353,0.39889957850729896
EOS-2-22680,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cnn1,VXKXLEMXZYRYHM-UHFFFAOYSA-N,2,1,0.478,65,778,433.863,2.652,5,0.376,0.59,1.0,0.5056027688301008,0.47949934891371393,0.29011034199163865,0.3007590295387568,0.39399287231855257
EOS-2-22681,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,YAEUHNXWHRYQFL-UHFFFAOYSA-N,2,1,0.482,51,19,433.863,3.092,5,0.402,0.69,1.0,0.5494311561921733,0.4795079158385306,0.10255465698033034,0.12812692755808375,0.31490516414227954
EOS-2-22682,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)nn1,OWIQSYNOSMJVMP-UHFFFAOYSA-N,2,1,0.438,53,44,433.863,2.918,5,0.416,0.74,0.966,0.38653964772805155,0.36527654033308204,0.21419882119114522,0.22956788431224728,0.2988957233911315
EOS-2-22683,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5nccn5C)n4)n23)cc1Cl,JGHRWASDYWXNOL-UHFFFAOYSA-N,2,1,0.467,36,185,433.863,2.918,5,0.416,0.64,1.0,0.4586902885340278,0.5664108011788088,0.15779418819820437,0.19713350695634296,0.34500719621684595
EOS-2-22684,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2)cn1,WYWWJPKOJJJFEA-UHFFFAOYSA-N,2,1,0.44,53,44,433.863,2.652,5,0.402,0.67,0.997,0.48316599273524774,0.4398773216366253,0.24275238160509904,0.2736875471180865,0.3598708107737647
EOS-2-22685,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc2)n1,OXBNCFMVZBPALM-UHFFFAOYSA-N,2,1,0.404,53,602,433.863,2.652,5,0.402,0.68,1.0,0.4240285107257899,0.46203995613734494,0.15447878829415393,0.16990781988897266,0.30261376876156537
EOS-2-22686,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nn2)cn1,NNJZGRUJSHLJQT-UHFFFAOYSA-N,2,1,0.455,53,44,433.863,2.652,5,0.376,0.62,1.0,0.4734682338427798,0.439885888561442,0.24631622232883285,0.2620622301418683,0.35543314371873075
EOS-2-22687,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,VTSKGNLHHKGKQS-UHFFFAOYSA-N,2,1,0.516,65,45,433.863,2.652,5,0.402,0.68,1.0,0.6391439928723186,0.6240833390446165,0.18016242889452402,0.21519258446987868,0.4146455863203345
EOS-2-22688,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncnn4)n23)ccc1Cl,GFKHZLUUVNUXOK-UHFFFAOYSA-N,2,1,0.523,26,125,433.863,2.652,5,0.402,0.67,1.0,0.6965081214447262,0.7485778904804331,0.2865893358919882,0.33859056952916183,0.5175664793365774
EOS-2-22689,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cncnc1,OIYJZTFATRDRGE-UHFFFAOYSA-N,2,1,0.423,31,235,433.863,2.652,5,0.376,0.7,1.0,0.3518179014460969,0.31212733877047494,0.17383147145500652,0.20902439860187788,0.26170027756836406
EOS-2-22690,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)nc2Cl)n1,VSBFMKCTKXQXBE-UHFFFAOYSA-N,2,1,0.429,31,773,433.863,2.652,5,0.376,0.59,1.0,0.5056113357549175,0.47493317798643,0.20746521828524433,0.22334829689534644,0.3528395072304846
EOS-2-22691,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)nn1C,AWSLAASYWCGZSY-UHFFFAOYSA-N,2,1,0.444,53,617,433.863,2.918,5,0.416,0.66,1.0,0.40805976286752105,0.49775546569803303,0.17037900075388937,0.15382770200808718,0.30750548283188267
EOS-2-22692,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,WOEZDYVFRIHBAS-UHFFFAOYSA-N,2,1,0.5,65,349,433.863,2.652,5,0.376,0.63,1.0,0.5338307861010212,0.5067678706051676,0.2463247892536495,0.27675450620245357,0.39091948804057297
EOS-2-22693,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc2)n1,YMTIENHFOLCMAB-UHFFFAOYSA-N,2,1,0.462,31,578,433.863,2.652,5,0.376,0.69,1.0,0.5543999725858406,0.5430487972037558,0.19676512918922623,0.2062230141868275,0.3751092282914126
EOS-2-22694,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n1,GCFSOCWCSIHSJX-UHFFFAOYSA-N,2,1,0.506,65,981,433.863,2.652,5,0.376,0.65,1.0,0.5850095949557946,0.6580254951682544,0.18666472483037488,0.19714207388115962,0.40671047220889583
EOS-2-22695,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)n4)n23)cn1,OAGHRSYQZXMQMV-UHFFFAOYSA-N,2,1,0.433,65,324,433.863,2.652,5,0.376,0.6,1.0,0.4565485573298609,0.4529590158316771,0.20040607223631005,0.2177712288396957,0.33192121855938594
EOS-2-22696,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cnn1,HROFOMKXSQBLKZ-UHFFFAOYSA-N,2,1,0.473,65,65,433.863,2.652,5,0.376,0.56,1.0,0.5312178740319375,0.5248697827427866,0.207473785210061,0.23532485778904805,0.3747215749434583
EOS-2-22697,CCn1nncc1-c1cncc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,SUXWFPAFYCKLTN-UHFFFAOYSA-N,2,1,0.426,92,36,433.863,3.092,5,0.376,0.6,1.0,0.3229901994380097,0.35585292303474747,0.26074292372010144,0.2914382153382222,0.30775606538277017
EOS-2-22698,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,FEMZQJRWXMMGPZ-UHFFFAOYSA-N,2,1,0.474,58,779,433.863,2.652,5,0.402,0.71,1.0,0.5440939620313893,0.5619045987252416,0.17698409978754026,0.19452059488725926,0.3693758138578576
EOS-2-22699,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2C)n1,VCKRSYQVKFUWDQ-UHFFFAOYSA-N,2,1,0.451,7,828,433.863,2.918,5,0.416,0.67,0.997,0.2866407374408882,0.3121359056952916,0.16104105270372146,0.17806353231444041,0.23447030703858543
EOS-2-22700,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1,RLEYNOPRTHUCAI-UHFFFAOYSA-N,2,1,0.451,31,773,433.863,2.652,5,0.376,0.61,1.0,0.46818244123089575,0.46634911932012885,0.24993146460146665,0.2681190459872524,0.3631455177849359
EOS-2-22701,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)c1,LAKWXNGTIWPXIU-UHFFFAOYSA-N,2,1,0.438,31,194,433.863,2.652,5,0.402,0.63,0.507,0.49802104036734973,0.4620485230621616,0.1967736961140429,0.22640668905489686,0.34581248714961277
EOS-2-22702,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)nc1,PTERJVPUKJEOPK-UHFFFAOYSA-N,2,1,0.439,65,773,433.863,2.652,5,0.402,0.65,0.999,0.47842848331163046,0.47494174491124663,0.2463333561784662,0.27968439448975396,0.3698469947227743
EOS-2-22703,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)n1C,FZGUMYJXRRCSLL-UHFFFAOYSA-N,2,1,0.513,36,19,433.863,2.918,5,0.416,0.7,1.0,0.5363323281474882,0.5202522102666027,0.09504146391611268,0.112440888218765,0.31601672263724223
EOS-2-22704,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n[nH]1,BDAGAIKCLHWKKH-UHFFFAOYSA-N,2,1,0.495,65,981,433.863,2.95,5,0.406,0.66,1.0,0.641893975738469,0.7742615310808032,0.18995442395997533,0.20319032280172708,0.45232506339524364
EOS-2-22705,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnnc(Cl)c4)n23)cc1,RBZYLWDJQHCXOU-UHFFFAOYSA-N,2,1,0.556,36,187,433.863,2.652,5,0.402,0.66,1.0,0.8455297786306627,0.783034062093071,0.22132650263861284,0.25288705366321707,0.5256943492563909
EOS-2-22706,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,SQOIKWHKTBBFRT-UHFFFAOYSA-N,2,1,0.516,87,579,433.863,2.652,5,0.402,0.63,1.0,0.5181276129120691,0.5914262216434789,0.189962990884792,0.22335686382016312,0.38071842231512576
EOS-2-22707,Cc1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1cnn(C)c1,JMGMHIXBFTUORU-UHFFFAOYSA-N,2,1,0.357,92,544,433.863,2.918,5,0.389,0.62,1.0,0.3380508532657117,0.40351072578987046,0.18997155780960867,0.1726149681310397,0.2760370262490576
EOS-2-22708,Cn1cc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)cn1,HYGQPICIUGKEKG-UHFFFAOYSA-N,2,1,0.537,65,359,433.863,2.652,5,0.402,0.65,1.0,0.5363408950723049,0.5339335891988212,0.17384003837982318,0.18101055445137412,0.3562812692755808
EOS-2-22709,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccnnc1,ZBJDTYXRQVFQJM-UHFFFAOYSA-N,2,1,0.441,95,466,433.863,2.652,5,0.402,0.63,0.999,0.397411075320403,0.3558614899595641,0.24994003152628333,0.2885939962990885,0.3229516482763347
EOS-2-22710,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)cn1,OWFICILFCKVXCF-UHFFFAOYSA-N,2,1,0.436,92,395,433.863,3.092,5,0.402,0.68,0.999,0.2327033787951477,0.2709632650263861,0.22462476869302994,0.22641525597971351,0.23867666712356933
EOS-2-22711,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)c2)cn1,QLQSXHNTHCLWBZ-UHFFFAOYSA-N,2,1,0.446,92,36,433.863,3.092,5,0.402,0.69,1.0,0.2023850318689603,0.3558700568843808,0.2756493729011034,0.2796929614145706,0.2783993557672538
EOS-2-22712,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,TZGUFSKKQDTMRD-UHFFFAOYSA-N,2,1,0.451,92,36,433.863,3.092,5,0.402,0.67,1.0,0.24923754369131657,0.32658830786101023,0.24994859845109998,0.24415735727503254,0.26748295181961484
EOS-2-22713,CCn1cc(-c2cnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2)cn1,FEQPLYCJGNKBDG-UHFFFAOYSA-N,2,1,0.4,92,36,433.863,3.092,5,0.376,0.69,1.0,0.262482009457885,0.25547426495785075,0.23206085943389762,0.22957645123706394,0.24489839627167434
EOS-2-22714,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cncnc1Cl,AOEHDWIRMYJFGZ-UHFFFAOYSA-N,2,1,0.441,31,569,433.863,2.652,5,0.376,0.65,0.989,0.3818449729285176,0.3265968747858269,0.19338119388664246,0.22958501816188062,0.2828520149407169
EOS-2-22715,Cc1cc(-c2nnc3cncc(OCc4nnc(-c5cccnn5)n4C)n23)ccc1Cl,NMEQMDGRACIMCZ-UHFFFAOYSA-N,2,1,0.472,36,404,433.863,2.918,5,0.416,0.71,0.855,0.4378812281543417,0.6629172092385717,0.097483037488863,0.16991638681378932,0.3420494654238914
EOS-2-22716,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)n1,QBVBNSVXZGCTNA-UHFFFAOYSA-N,2,1,0.424,53,88,433.863,2.652,5,0.402,0.69,1.0,0.35648687547118085,0.3509612089644301,0.1273644712494003,0.17523644712494002,0.25251225070248784
EOS-2-22717,Cn1ccnc1CCOc1cncc2nnc(-c3cnnc(-c4ccc(Cl)cn4)c3)n12,RPYCWGCVSCVKIX-UHFFFAOYSA-N,2,1,0.457,65,778,433.863,2.652,5,0.402,0.55,1.0,0.5237389486669864,0.4706154478788294,0.13957233911315195,0.1810191213761908,0.32873646425878966
EOS-2-22718,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1,YXTLEMZXGKXXBL-UHFFFAOYSA-N,2,1,0.506,20,734,433.863,2.652,5,0.402,0.69,1.0,0.7243420601740799,0.6534850250154205,0.15448735521897058,0.19191624974299226,0.43105767253786575
EOS-2-22719,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nn2)cn1,JTZAOEYWDCNSNJ-UHFFFAOYSA-N,2,1,0.467,53,44,433.863,3.092,5,0.402,0.67,1.0,0.202393598793777,0.32660544171064354,0.19338976081145912,0.22336543074497978,0.23643855801521485
EOS-2-22720,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)c1,WGHMPGVGFQXKRG-UHFFFAOYSA-N,2,1,0.374,51,905,433.863,3.092,5,0.376,0.65,0.999,0.40806832979233776,0.4035192927146871,0.21759132341854567,0.21520115139469537,0.31109502433006647
EOS-2-22721,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)cn1,SCTDJXGIOVTTBA-UHFFFAOYSA-N,2,1,0.462,20,279,433.863,2.652,5,0.402,0.73,1.0,0.4170464670002056,0.4443064217668426,0.2142073881159619,0.22060688095401274,0.3240417894592557
EOS-2-22722,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)cn1,AHGPFZVMYKYZRC-UHFFFAOYSA-N,2,1,0.402,18,711,433.863,2.652,5,0.402,0.71,1.0,0.4218096771982729,0.34622369954081283,0.16730347474470564,0.19192481666780892,0.28181541703790003
EOS-2-22723,CCn1cncc1-c1cnc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)nc1,QVPGRRDJVIPMRO-UHFFFAOYSA-N,2,1,0.375,7,565,433.863,3.092,5,0.376,0.67,1.0,0.4586988554588445,0.4129857446371051,0.23933417860324857,0.2383404153245151,0.3373397985059283
EOS-2-22724,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cn2)cn1,QQYKEXPWBQUYBU-UHFFFAOYSA-N,2,1,0.505,65,468,433.863,2.652,5,0.376,0.7,1.0,0.5466640394763895,0.5866715783702282,0.26414399287231854,0.2383489822493318,0.408957148242067
EOS-2-22725,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)co1,YAWAPIHQTMVTBT-UHFFFAOYSA-N,2,1,0.562,58,981,433.859,3.82,5,0.398,0.7,1.0,0.7631502295935851,0.7485864574052498,0.3865996162017682,0.3774929751216503,0.5689573195805634
EOS-2-22726,OCc1cc(-c2nnc3cncc(OCc4cccc(-c5c[nH]nn5)c4)n23)ccc1Cl,HSGDVKQBNZJTCB-UHFFFAOYSA-N,2,1,0.523,43,909,433.859,3.301,5,0.422,0.65,0.998,0.8547734905078473,0.7830426290178878,0.7877030361181551,0.7776797340826537,0.800799722431636
EOS-2-22727,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)cc2)o1,LGZVBUFADLZPTJ-UHFFFAOYSA-N,2,1,0.573,72,889,433.859,3.82,5,0.398,0.7,1.0,0.85021588650538,0.7952247961071893,0.404787197587554,0.41505894044273867,0.6163217051607155
EOS-2-22728,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)o1,TXIPFBMTXAYKRE-UHFFFAOYSA-N,2,1,0.576,72,889,433.859,3.82,5,0.398,0.71,1.0,0.8502244534301967,0.8444503461037626,0.32668254403399355,0.3321568089918443,0.5883785381399493
EOS-2-22729,COc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)ccc1Cl,XFMKROUPMMGFHU-UHFFFAOYSA-N,2,1,0.547,4,67,433.859,3.613,5,0.404,0.67,1.0,0.39741964224521964,0.5960437941196628,0.6218730724419163,0.5395449249537386,0.5387203584401343
EOS-2-22730,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)no1,REWWMVDJBULPOS-UHFFFAOYSA-N,2,1,0.646,84,73,433.859,3.82,5,0.398,0.77,1.0,0.6136059899938319,0.7396168871221986,0.30470838187924065,0.3577633472688644,0.5039236515660339
EOS-2-22731,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)o1,QPOKJFFVYKAOFW-UHFFFAOYSA-N,2,1,0.438,18,367,433.859,3.82,5,0.372,0.69,1.0,0.5389366732917552,0.4977640326228497,0.3266911109588102,0.31652217120142556,0.41997849701871015
EOS-2-22732,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)no1,ODMXWCUWRAYTIW-UHFFFAOYSA-N,2,1,0.558,15,921,433.859,3.82,5,0.398,0.7,1.0,0.6538534027825372,0.658034062093071,0.28659790281680486,0.3071927900760743,0.47641953944212184
EOS-2-22733,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5C)n34)nc2)no1,QPBXPFFVBVLUOL-UHFFFAOYSA-N,2,1,0.529,4,677,433.859,4.086,5,0.408,0.76,1.0,0.5414639161126722,0.7118429168665615,0.3640172023850319,0.36128435336851483,0.49465209718319514
EOS-2-22734,COc1ccc(Cl)cc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cn3)n12,QGWDUEPAKDJYET-UHFFFAOYSA-N,2,1,0.529,4,547,433.859,3.613,5,0.404,0.65,1.0,0.31330100747035844,0.38933246521828524,0.561947433349325,0.489891028716332,0.4386179836885752
EOS-2-22735,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1,VODICVJJLMEDHA-UHFFFAOYSA-N,2,1,0.536,55,879,433.859,4.086,5,0.382,0.66,1.0,0.5878966486190117,0.6534935919402372,0.36017065314234803,0.32878144061407716,0.48258558357891856
EOS-2-22736,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)o1,KAJBXRSPCNXIMR-UHFFFAOYSA-N,2,1,0.439,18,840,433.859,3.82,5,0.372,0.61,1.0,0.644858131725036,0.5294188198204373,0.4339147419642245,0.39933863340415326,0.5018825817284628
EOS-2-22737,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)o1,BZCJTWQSHUVNNK-UHFFFAOYSA-N,2,1,0.511,87,304,433.859,3.82,5,0.398,0.71,1.0,0.7117058460694949,0.757299019943801,0.3565382770200809,0.35444794736481394,0.5449977725995477
EOS-2-22738,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)o1,LAUFWHHWVCFADA-UHFFFAOYSA-N,2,1,0.516,75,278,433.859,3.82,5,0.372,0.7,1.0,0.6246915907066,0.6240919059694332,0.3303234870810774,0.31944349256390925,0.4746376190802549
EOS-2-22739,OCc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)cc5)n4)n23)cc1,LOYOPZSWPXNKJP-UHFFFAOYSA-N,2,1,0.523,43,612,433.859,3.097,5,0.438,0.72,1.0,0.4955023644712494,0.5430573641285724,0.541986498526489,0.5785244328695771,0.539767664998972
EOS-2-22740,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cn[nH]c1,YVNBRDMZVYQDIN-UHFFFAOYSA-N,2,1,0.457,16,83,433.859,3.817,5,0.406,0.68,1.0,0.7860581865533548,0.7118514837913782,0.7516020149407169,0.6672777739702557,0.7291973648139264
EOS-2-22741,OCc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,ODISHJUFSHKRPQ-UHFFFAOYSA-N,2,1,0.529,43,909,433.859,3.097,5,0.438,0.72,1.0,0.45655712425467754,0.5664193681036255,0.5419950654513056,0.57532896991296,0.5350751319306422
EOS-2-22742,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5CO)n34)cn2)cn1,NHRABPKREFGGFR-UHFFFAOYSA-N,2,1,0.456,13,374,433.859,3.525,5,0.452,0.6,1.0,0.5263175930368035,0.667783222534439,0.6818244123089576,0.6444897539579193,0.6301037454595299
EOS-2-22743,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)n1,XOYPGUSFCZBMTJ-UHFFFAOYSA-N,2,1,0.57,15,922,433.859,3.82,5,0.398,0.72,1.0,0.8362946336782948,0.7830511959427044,0.3230073332876431,0.32566307998081007,0.5670040607223631
EOS-2-22744,Cc1noc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,XGDAONMALCOYNJ-UHFFFAOYSA-N,2,1,0.566,15,438,433.859,3.82,5,0.372,0.69,1.0,0.7453652936741827,0.6726663696799396,0.3715218285244329,0.37073367144129943,0.5400717908299637
EOS-2-22745,COCn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,IVCSBKNQJTVICM-UHFFFAOYSA-N,2,1,0.512,13,374,433.859,4.099,5,0.398,0.73,1.0,0.5006253855116167,0.6776266191487903,0.6039767664998972,0.5878281132204783,0.5925142210951957
EOS-2-22746,COc1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,MGTWSVDGZDXXLV-UHFFFAOYSA-N,2,1,0.753,43,612,433.859,3.613,5,0.404,0.8,1.0,0.2866493043657049,0.5155575354670687,0.5453790007538893,0.5332996367623878,0.47022136933726266
EOS-2-22747,OCCn1cc(-c2cncc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)cn1,LICBUTWWXZFMFI-UHFFFAOYSA-N,2,1,0.404,13,995,433.859,3.488,5,0.437,0.73,1.0,0.3133095743951751,0.3312658488109108,0.5586063326708245,0.5909807415530122,0.4485406243574806
EOS-2-22748,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)o1,SRMXVDWDPHFZGX-UHFFFAOYSA-N,2,1,0.435,18,840,433.859,3.82,5,0.372,0.61,1.0,0.6108303063532314,0.5248783496676033,0.4190339935576725,0.3867709546981016,0.4853784010691522
EOS-2-22749,OCCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)cn2)cn1,KUHKSELONMJLME-UHFFFAOYSA-N,2,1,0.542,13,374,433.859,3.488,5,0.437,0.75,1.0,0.38185353985333426,0.3797632101980673,0.5113083407580015,0.5495253923651566,0.4556126207936399
EOS-2-22750,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)no1,CMAKAVHFKABPDA-UHFFFAOYSA-N,2,1,0.523,15,561,433.859,3.82,5,0.372,0.74,1.0,0.630337194160784,0.6535021588650538,0.2570334452744843,0.2797015283393873,0.45514358165992735
EOS-2-22751,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)no1,APCQPBUSZIHDSH-UHFFFAOYSA-N,2,1,0.552,15,921,433.859,3.82,5,0.398,0.7,1.0,0.6479422246590364,0.6580426290178878,0.29011890891645536,0.32258755397162636,0.4796728291412515
EOS-2-22752,Cc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)co2)n1,HKRVUBSNVCVEKX-UHFFFAOYSA-N,2,1,0.494,4,677,433.859,4.086,5,0.408,0.71,1.0,0.5596257967240079,0.6580511959427044,0.37153039544924954,0.3645654855732986,0.4884432184223151
EOS-2-22753,COCn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)nc5)n34)cc2)cn1,PYZNVKLSNXKRDF-UHFFFAOYSA-N,2,1,0.438,13,374,433.859,4.099,5,0.372,0.7,1.0,0.4353282845589747,0.5430659310533891,0.6364968131039682,0.6060499623055308,0.5552352477554657
EOS-2-22754,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)o1,ORVJPKGLRVMEML-UHFFFAOYSA-N,2,1,0.573,72,889,433.859,3.82,5,0.398,0.76,1.0,0.8703310259749161,0.8232557741073264,0.38291583853060107,0.38677952162291823,0.6158205400589405
EOS-2-22755,Cc1nnc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)o1,IASMOAFAFIPACK-UHFFFAOYSA-N,2,1,0.482,11,503,433.859,3.82,5,0.398,0.76,0.997,0.5338393530258378,0.5524467137276403,0.21759989034336236,0.33216537591666095,0.4090128332533754
EOS-2-22756,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)o1,IJLQCKAGJJEXDZ-UHFFFAOYSA-N,2,1,0.549,87,578,433.859,3.82,5,0.372,0.73,1.0,0.7830940305667877,0.7830597628675211,0.4265214858474402,0.39315331368651907,0.5964571482420671
EOS-2-22757,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)o1,MHMOCFIIMJVYBY-UHFFFAOYSA-N,2,1,0.533,87,307,433.859,3.82,5,0.398,0.66,1.0,0.7088958947296279,0.7612483722842849,0.3528287985744637,0.3385991364539785,0.5403930505105887
EOS-2-22758,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2O)cn1,SKZYTFSLULZSPJ-UHFFFAOYSA-N,2,1,0.56,4,394,433.859,3.525,5,0.452,0.59,1.0,0.4706754163525461,0.5571585223768076,0.6459118634774861,0.6027516962511137,0.5691243746144884
EOS-2-22759,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cn2)no1,SCGCSELIDHMBIT-UHFFFAOYSA-N,2,1,0.621,84,73,433.859,3.82,5,0.398,0.77,1.0,0.6391525597971353,0.7830683297923378,0.3047169488040573,0.3544565142896306,0.5203485881707902
EOS-2-22760,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)ccn2)n1,PCUKKSLWDOXRMA-UHFFFAOYSA-N,2,1,0.505,75,819,433.859,3.82,5,0.398,0.66,1.0,0.6934582962099924,0.6338153656363512,0.37552258241381675,0.3677952162291824,0.5176478651223356
EOS-2-22761,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)o1,DYMTZSDRTIMNGU-UHFFFAOYSA-N,2,1,0.536,75,496,433.859,3.82,5,0.372,0.67,1.0,0.7484493866081832,0.6431104790624358,0.43760708656020836,0.402311356315537,0.5578695771365911
EOS-2-22762,OCc1ccc(-c2nnc3cncc(OCc4ncnn4-c4ccc(Cl)cc4)n23)cc1,CWVZQJFHKJMGOG-UHFFFAOYSA-N,2,1,0.523,43,612,433.859,3.097,5,0.438,0.74,1.0,0.6136145569186485,0.5866801452950449,0.52506682201357,0.572313412377493,0.574418734151189
EOS-2-22763,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)ccc1-c1cnnn1C,GTQUFGXBNBQCPA-UHFFFAOYSA-N,2,1,0.6,13,209,433.859,4.041,5,0.413,0.73,1.0,0.4471420738811596,0.5294273867452539,0.6189774518538825,0.5818226989239943,0.5443424028510726
EOS-2-22764,COc1nc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1cnn(C)c1,YDPRZKMLSVGAOB-UHFFFAOYSA-N,2,1,0.529,13,374,433.859,4.041,5,0.413,0.75,1.0,0.41477623192378865,0.45296758275649374,0.514932149955452,0.4688335275169625,0.4628773730381742
EOS-2-22765,Cc1coc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)n1,RULQZEBLZUQYQT-UHFFFAOYSA-N,2,1,0.562,58,981,433.859,3.82,5,0.398,0.71,1.0,0.7688301007470358,0.7254557604002467,0.34127201699677884,0.33860770337879514,0.5435413953807141
EOS-2-22766,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)no1,XUOOCVGKTCYBAO-UHFFFAOYSA-N,2,1,0.575,15,921,433.859,3.82,5,0.372,0.73,1.0,0.7180368035090124,0.6875042834624083,0.35654684394489755,0.3612929202933315,0.5308452128024124
EOS-2-22767,COc1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)ccc1-c1cnnn1C,LELWDBJCTXSYON-UHFFFAOYSA-N,2,1,0.483,13,209,433.859,4.041,5,0.413,0.73,1.0,0.3930933452128024,0.4928209170036324,0.6039853334247138,0.5626156534850251,0.5131288122815434
EOS-2-22768,Cc1coc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)n1,LQLUFOKNCTYPGJ-UHFFFAOYSA-N,2,1,0.5,87,307,433.859,3.82,5,0.398,0.62,1.0,0.6419025426632856,0.5814114865327942,0.3450414639161127,0.34827119457199646,0.4791566719210472
EOS-2-22769,Cc1noc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)n1,LNHKCQLEGWAJMH-UHFFFAOYSA-N,2,1,0.495,15,561,433.859,3.82,5,0.372,0.74,1.0,0.6448666986498527,0.6431190459872524,0.2714858474402029,0.28860256322390515,0.4620185388253033
EOS-2-22770,COc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)ccc1Cl,YMSYHLLSBLIJHB-UHFFFAOYSA-N,2,1,0.528,4,67,433.859,3.613,5,0.404,0.69,1.0,0.5414724830374888,0.6338239325611679,0.684265985881708,0.587836680145295,0.611849770406415
EOS-2-22771,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)o1,FIPTYTKDJBDLGT-UHFFFAOYSA-N,2,1,0.593,72,889,433.859,3.82,5,0.372,0.74,1.0,0.8680607908984991,0.8605390309094647,0.3866081831265849,0.3707422383661161,0.6214875608251662
EOS-2-22772,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)o1,HMKSGAZSZFFFBN-UHFFFAOYSA-N,2,1,0.554,72,628,433.859,3.82,5,0.372,0.71,1.0,0.742341169213899,0.7301076005756973,0.3755311493386334,0.377501542046467,0.5563703652936742
EOS-2-22773,OCc1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5Cl)nn4)n23)cc1,JTVPTXSBRRQHOI-UHFFFAOYSA-N,2,1,0.615,43,104,433.859,3.097,5,0.438,0.73,1.0,0.4125145637721883,0.5155661023918854,0.552172572133507,0.6027602631759303,0.5207533753683777
EOS-2-22774,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)o5)n34)ccn2)nc(C)n1,STJLBQSYSHFFCN-UHFFFAOYSA-N,2,1,0.512,24,486,433.859,4.086,5,0.408,0.67,1.0,0.6391611267219519,0.6431276129120691,0.3939500376944692,0.34169179631279556,0.5044826434103215
EOS-2-22775,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccoc5)nc4)n23)ccc1Cl,QTZCEFSNHAOTNN-UHFFFAOYSA-N,2,1,0.529,97,67,433.855,4.687,5,0.384,0.74,1.0,0.9140052086902886,0.8154855732986087,0.8182355561647591,0.7448341443355493,0.8231401206223015
EOS-2-22776,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)ccc1-c1cocn1,HVJPKDRPERTMHS-UHFFFAOYSA-N,2,1,0.578,1,383,433.855,4.687,5,0.384,0.76,1.0,0.9166266876841889,0.8077753409636077,0.8130011651017751,0.755131587965184,0.823133695428689
EOS-2-22777,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)ccc1-c1ccno1,BQDIVNQVBGLSFG-UHFFFAOYSA-N,2,1,0.6,97,103,433.855,4.687,5,0.384,0.74,1.0,0.854782057432664,0.730116167500514,0.8238982934685766,0.7704920841614694,0.794822150640806
EOS-2-22778,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cc4)n23)ccc1Cl,WMHWRASXPLPMRF-UHFFFAOYSA-N,2,1,0.58,1,951,433.855,4.687,5,0.384,0.76,1.0,0.9064234802275375,0.8572236310054143,0.8426427249674456,0.7822459050099376,0.8471339353025839
EOS-2-22779,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)c5)o4)n23)cc1,LRCATJRRWNEJPH-UHFFFAOYSA-N,2,1,0.553,1,347,433.855,4.171,5,0.429,0.75,1.0,0.7860667534781715,0.8192293194434925,0.7653090946473854,0.7630045918717018,0.7834024398601878
EOS-2-22780,Oc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cnco1,LBYFKHYZKIYMEA-UHFFFAOYSA-N,2,1,0.76,91,660,433.855,4.427,5,0.423,0.66,1.0,0.8409036392296622,0.787163319854705,0.7744928380508532,0.7680762113631691,0.7926590021245973
EOS-2-22781,COc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)cc1,MPZCBSBVUSJQFT-UHFFFAOYSA-N,2,1,0.615,1,798,433.855,4.687,5,0.384,0.83,1.0,0.9461568775272429,0.8800973202659174,0.7677078335960523,0.7235967377150299,0.8293896922760606
EOS-2-22782,Cc1cc(-c2cncc(F)c2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,IRCXQBCKPSXCLM-UHFFFAOYSA-N,2,1,0.404,45,46,433.849,5.76,5,0.363,0.76,1.0,0.44255876910424236,0.7208381879240627,0.9728856829552464,0.9822750325543143,0.7796394181344665
EOS-2-22783,Fc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,FQLJKHXZYSYMRO-UHFFFAOYSA-N,2,1,0.482,97,143,433.834,4.015,5,0.386,0.71,1.0,0.8107223631005415,0.8232643410321431,0.7366270303611816,0.7577959015831677,0.7821024090192585
EOS-2-22784,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)cc1Cl,HCHKMBFFIPTJID-UHFFFAOYSA-N,2,1,0.671,59,577,433.834,4.015,5,0.413,0.74,1.0,0.9153416489616887,0.8541823726954972,0.8583544650812145,0.8574806387499143,0.8713397813720787
EOS-2-22785,Fc1cnc(COc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)nc1Cl,RLLMHOYAGUSIRN-UHFFFAOYSA-N,2,1,0.449,97,700,433.834,4.015,5,0.386,0.63,1.0,0.6756904941402234,0.7254643273250634,0.48343156740456444,0.5753375368377767,0.6149809814269069
EOS-2-22786,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,ABWLWYKKCFHGEJ-UHFFFAOYSA-N,2,1,0.64,97,232,433.834,4.015,5,0.386,0.76,1.0,0.9717891165787129,0.973048454526763,0.7213350695634295,0.7526643136179837,0.8547092385717223
EOS-2-22787,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)cc1Cl,RJGUYYZNYHGVDH-UHFFFAOYSA-N,2,1,0.699,24,540,433.834,4.015,5,0.413,0.73,1.0,0.8914827633472688,0.8510468782125968,0.8166849427729422,0.8196405318346927,0.8447137790418751
EOS-2-22788,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4cncnc4)c3)n12,RIGKRWUGYUQDRK-UHFFFAOYSA-N,2,1,0.5,59,332,433.834,4.015,5,0.413,0.7,1.0,0.8211997121513261,0.8038516893975739,0.8275563703652937,0.839695702830512,0.8230758686861763
EOS-2-22789,Cc1cnnc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)n1,JIVSQWBUSKWBOM-UHFFFAOYSA-N,2,1,0.62,13,15,433.834,4.537,5,0.411,0.76,1.0,0.8028322253443904,0.8077839078884244,0.7342111575628812,0.7656774724145021,0.7776261908025495
EOS-2-22790,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)cn1,OAKDIOBFYRUCKQ-UHFFFAOYSA-N,2,1,0.488,13,995,433.834,4.537,5,0.411,0.74,1.0,0.7570248783496676,0.8341871701733946,0.7745014049756699,0.7630131587965184,0.7821816530738126
EOS-2-22791,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cccc(Cl)c5)ncn4)n23)n1,YNOBVFZZGXURRA-UHFFFAOYSA-N,2,1,0.452,44,130,433.834,4.015,5,0.386,0.73,1.0,0.5389452402165719,0.6288636830923172,0.6790144609690906,0.7397796586937153,0.6466507607429237
EOS-2-22792,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)cn1,NZPGPFWLQVCHRN-UHFFFAOYSA-N,2,1,0.512,4,390,433.834,4.015,5,0.386,0.76,1.0,0.7026420396134604,0.8306832979233775,0.7467874031937496,0.7603831128778014,0.7601239634020972
EOS-2-22793,Cc1cnc(-c2ccnc(-c3nnc4cncc(Oc5cc(F)ccc5Cl)n34)c2)cn1,HLYAYMLQCAMJPO-UHFFFAOYSA-N,2,1,0.413,13,110,433.834,4.537,5,0.411,0.66,1.0,0.6361284353368515,0.6483448701254197,0.7366355972859983,0.747472757179083,0.6921454149818381
EOS-2-22794,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2)nc1,MRORKZKSSCRKLM-UHFFFAOYSA-N,2,1,0.477,97,22,433.834,4.015,5,0.413,0.77,1.0,0.8502330203550134,0.8444589130285792,0.6979302309642931,0.7317353162908642,0.7810893701596875
EOS-2-22795,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)ccn1,LASOCGVJCLIAFH-UHFFFAOYSA-N,2,1,0.512,97,183,433.834,4.015,5,0.386,0.71,1.0,0.8388047426495785,0.7208467548488795,0.8027722568706737,0.7962099924611061,0.7896584367075594
EOS-2-22796,Cc1ncccc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1,RFLVSTBVHPLLOK-UHFFFAOYSA-N,2,1,0.387,13,284,433.834,4.537,5,0.384,0.68,0.998,0.802840792269207,0.8633918168734152,0.7418185868000823,0.7263124528819135,0.7835909122061544
EOS-2-22797,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cnn2)cc1,YOPWRDJZYMVJJJ-UHFFFAOYSA-N,2,1,0.529,43,232,433.834,4.015,5,0.386,0.62,1.0,0.7423497361387157,0.8232729079569597,0.8047426495785073,0.837656774724145,0.8020055170995819
EOS-2-22798,Fc1ncccc1-c1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,FQDFNRGOWVIMAT-UHFFFAOYSA-N,2,1,0.623,97,232,433.834,4.015,5,0.386,0.71,1.0,0.9700928654650127,0.9720118566239463,0.6790230278939072,0.7183709135768624,0.8348746658899321
EOS-2-22799,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccncc5Cl)n34)ccn2)cn1,VIMYVXXJOMXXHC-UHFFFAOYSA-N,2,1,0.494,97,525,433.834,4.015,5,0.386,0.78,1.0,0.8238297580700432,0.8306918648481941,0.8166935096977589,0.8216880268658763,0.8232257898704681
EOS-2-22800,Cc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1ccnnc1,NITZEHMJXPMDGY-UHFFFAOYSA-N,2,1,0.529,13,573,433.834,4.537,5,0.411,0.6,1.0,0.7688386676718525,0.711860050716195,0.7963213624837229,0.8068929477074909,0.7709782571448154
EOS-2-22801,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ncc(-c4ccccn4)cn3)n12,WLKUCENKSNXFOV-UHFFFAOYSA-N,2,1,0.425,59,332,433.834,4.015,5,0.413,0.8,0.999,0.7716914536358029,0.6677917894592557,0.6487218148173531,0.7157065999588788,0.7009779144678225
EOS-2-22802,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)cn1,VAIPDXNGZSYVOM-UHFFFAOYSA-N,2,1,0.548,4,675,433.834,4.015,5,0.386,0.76,1.0,0.8897693783839353,0.9530018504557604,0.7699009663491193,0.7914981838119388,0.8510425947501884
EOS-2-22803,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(F)cc5Cl)n34)nn2)cn1,GBYSZLWNAZQJEY-UHFFFAOYSA-N,2,1,0.326,96,46,433.834,4.111,5,0.421,0.73,1.0,0.4609348228359948,0.6338324994859845,0.7157751353574121,0.739788225618532,0.637582670824481
EOS-2-22804,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3nccc(-c4cccnc4)n3)n12,ZXGZSIQBIRLNHE-UHFFFAOYSA-N,2,1,0.444,59,109,433.834,4.015,5,0.413,0.74,1.0,0.7391885408813652,0.6535107257898705,0.6818329792337743,0.7424868069357823,0.704254763210198
EOS-2-22805,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccccc5Cl)n34)n2)ccn1,JOHKXURXOAQEDC-UHFFFAOYSA-N,2,1,0.5,97,401,433.834,4.015,5,0.386,0.73,1.0,0.5908436707559455,0.7612569392091015,0.6979387978891097,0.7526728805428003,0.7006780720992393
EOS-2-22806,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnc5Cl)c4)n23)cn1,PKWYXVDAPMZKBL-UHFFFAOYSA-N,2,1,0.455,97,91,433.834,4.015,5,0.386,0.61,1.0,0.8591169213898979,0.8270423548762936,0.8087348365430745,0.8135922829141251,0.8271215989308478
EOS-2-22807,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3cncc(-c4cncnc4)c3)n12,AHLJGXHFMRWWSO-UHFFFAOYSA-N,2,1,0.476,2,817,433.834,4.015,5,0.413,0.72,1.0,0.8082465218285244,0.7995853608388733,0.8221335069563429,0.8416318278390789,0.8178993043657048
EOS-2-22808,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)n1,OXDZAWUAEPIXMW-UHFFFAOYSA-N,2,1,0.506,24,912,433.834,4.015,5,0.386,0.75,1.0,0.8568124186142142,0.7163662531697622,0.7342197244876979,0.7371239120005483,0.7611305770680556
EOS-2-22809,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cc1,GZZWUNVTEWXSOD-UHFFFAOYSA-N,2,1,0.506,73,210,433.834,4.015,5,0.413,0.76,1.0,0.7744071688026866,0.8605475978342814,0.6459204304023027,0.7103008703995614,0.747794016859708
EOS-2-22810,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)nc1,VKCBJNKPTBOLKG-UHFFFAOYSA-N,2,1,0.519,55,109,433.834,4.015,5,0.413,0.72,1.0,0.8785381399492838,0.860556164759098,0.7418271537248989,0.7656860393393188,0.8116518744431498
EOS-2-22811,Fc1cnc(-c2ccccn2)c(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,XKHZCVMOGOOFMK-UHFFFAOYSA-N,2,1,0.477,24,89,433.834,4.015,5,0.413,0.72,0.983,0.8157682818175588,0.7830768967171544,0.6365053800287849,0.6963453498732095,0.7329239771091769
EOS-2-22812,Fc1ccc(COc2cncc3nnc(-c4cnnc(-c5cccnc5)c4)n23)cc1Cl,KMPZIKGGVLOFPI-UHFFFAOYSA-N,2,1,0.633,59,294,433.834,4.015,5,0.413,0.61,1.0,0.8082550887533411,0.8444674799533959,0.8295438969227606,0.8490250839558632,0.8328228873963403
EOS-2-22813,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)nc1,CLMDURBUBBSQRH-UHFFFAOYSA-N,2,1,0.483,2,422,433.834,4.015,5,0.386,0.73,1.0,0.8212082790761428,0.7396254540470153,0.7877116030429717,0.7962185593859228,0.7861909738880131
EOS-2-22814,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)nc1,ILSVMPGYFOCMPV-UHFFFAOYSA-N,2,1,0.477,2,422,433.834,4.015,5,0.413,0.69,1.0,0.8157768487423754,0.7573075868686177,0.7859382496059215,0.8069015146323076,0.7914810499623056
EOS-2-22815,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)n1,DWTAAFWUZNCDLA-UHFFFAOYSA-N,2,1,0.506,72,418,433.834,4.015,5,0.386,0.62,1.0,0.8000993763278733,0.8192378863683092,0.6707473785210061,0.7074138167363443,0.7493746144883832
EOS-2-22816,Fc1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1-c1cncnc1,CAHMPMUTQHFKOU-UHFFFAOYSA-N,2,1,0.56,4,817,433.834,4.015,5,0.413,0.67,1.0,0.7423583030635323,0.857232197930231,0.832962099924611,0.8525546569803304,0.8212768144746763
EOS-2-22817,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccn4)n23)cn1,MNXVCBVAPOZSEQ-UHFFFAOYSA-N,2,1,0.477,24,992,433.834,4.015,5,0.386,0.59,1.0,0.887918922623535,0.8933931875813858,0.6428363374683024,0.6702247961071893,0.7735933109451031
EOS-2-22818,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)ccc1Cl,VWGJBGFUJJKWNR-UHFFFAOYSA-N,2,1,0.535,4,817,433.834,4.015,5,0.413,0.69,1.0,0.8313001165101775,0.9359108354465081,0.7898619011719553,0.8005619902679734,0.8394087108491536
EOS-2-22819,Fc1cccc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,SMBPXSDQDLNBMU-UHFFFAOYSA-N,2,1,0.541,4,539,433.834,4.015,5,0.386,0.74,1.0,0.8914913302720855,0.9613717360016448,0.597560139812213,0.6645020903296552,0.7787313241038996
EOS-2-22820,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cn1,YNSHBETZOISERF-UHFFFAOYSA-N,2,1,0.494,2,419,433.834,4.015,5,0.386,0.77,1.0,0.5710026728805428,0.6922931944349257,0.767716400520869,0.7822544719347543,0.703316684942773
EOS-2-22821,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)cc1Cl,NWSUENFECKLNAW-UHFFFAOYSA-N,2,1,0.653,2,884,433.834,4.015,5,0.413,0.75,1.0,0.7688472345966691,0.8154941402234254,0.8832071139743678,0.8862740730587348,0.8384556404632993
EOS-2-22822,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cncc(-c4ccncn4)c3)n12,DXQDQUMGJXQPNQ-UHFFFAOYSA-N,2,1,0.455,2,332,433.834,4.015,5,0.413,0.72,1.0,0.8455383455554794,0.7830854636419711,0.8239068603933932,0.8376653416489617,0.8225490028099514
EOS-2-22823,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,PBFNIXVEPVDEQS-UHFFFAOYSA-N,2,1,0.518,72,418,433.834,4.015,5,0.386,0.73,1.0,0.5653570694263587,0.6776351860736071,0.7237680762113632,0.7578044685079843,0.6811412000548283
EOS-2-22824,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)cn1,DPXWAKBRUZZMQN-UHFFFAOYSA-N,2,1,0.523,97,390,433.834,4.015,5,0.386,0.72,1.0,0.6247001576314166,0.807792474813241,0.7516105818655335,0.7705006510862861,0.7386509663491193
EOS-2-22825,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)cn1,ZQYBZOGXJXANDV-UHFFFAOYSA-N,2,1,0.488,97,31,433.834,4.015,5,0.386,0.8,1.0,0.647950791583853,0.7871718867795217,0.7185936536220958,0.7344938660818313,0.7220525495168254
EOS-2-22826,Fc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1cncnc1,BKDOJZBJEPSFTN-UHFFFAOYSA-N,2,1,0.517,4,817,433.834,4.015,5,0.386,0.76,1.0,0.7744157357275032,0.8510554451374135,0.8087434034678912,0.8237183880474265,0.8144832430950586
EOS-2-22827,Fc1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nc1,MYWOAMBOWMELTM-UHFFFAOYSA-N,2,1,0.548,34,539,433.834,4.015,5,0.413,0.74,1.0,0.8804485641834007,0.963222191762045,0.6247429922555,0.6906740456445755,0.7897719484613803
EOS-2-22828,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)nc1,BECMXENCUAFHFL-UHFFFAOYSA-N,2,1,0.5,24,786,433.834,4.015,5,0.386,0.77,1.0,0.7117144129943116,0.8038602563223906,0.6679716948804058,0.6990867658145432,0.7206582825029128
EOS-2-22829,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,RCOCXTGQVRLXBT-UHFFFAOYSA-N,2,1,0.518,2,419,433.834,4.015,5,0.386,0.7,1.0,0.6024518538825303,0.7485950243300665,0.7919693646768556,0.804802618052224,0.7369547152354191
EOS-2-22830,Cc1cnc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)c2)cn1,NPOOGYHTPJDEMF-UHFFFAOYSA-N,2,1,0.402,13,110,433.834,4.537,5,0.411,0.68,1.0,0.6419111095881023,0.6241004728942499,0.7366441642108149,0.7448427112603659,0.6868746144883833
EOS-2-22831,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)ccn1,PAIHVONLJHXYDY-UHFFFAOYSA-N,2,1,0.461,55,879,433.834,4.015,5,0.386,0.7,1.0,0.8028493591940237,0.819246453293126,0.789870468096772,0.7984116921389898,0.8025944931807278
EOS-2-22832,Fc1cc(COc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)ccc1Cl,MHKMTTFUDBIETQ-UHFFFAOYSA-N,2,1,0.653,2,884,433.834,4.015,5,0.413,0.76,1.0,0.7717000205606196,0.815502707148242,0.8832156808991845,0.8847748612158179,0.838798317455966
EOS-2-22833,Fc1cnccc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,RLKAEDLCUXYXOR-UHFFFAOYSA-N,2,1,0.477,55,879,433.834,4.015,5,0.413,0.72,1.0,0.8703395928997327,0.8480998560756631,0.7919779316016723,0.8112449455143582,0.8304155815228565
EOS-2-22834,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4ccnnc4)cc3)n12,IXYWVVAHSHJCDH-UHFFFAOYSA-N,2,1,0.518,4,202,433.834,4.015,5,0.413,0.76,1.0,0.7304417106435473,0.79959392776369,0.7877201699677884,0.8069100815571243,0.7811664724830375
EOS-2-22835,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ncnnc3-c3cccc(F)c3)n12,UOPDSQPSONYDJP-UHFFFAOYSA-N,2,1,0.368,45,730,433.834,4.111,5,0.421,0.8,1.0,0.47581557124254675,0.619791309711466,0.687101637996025,0.7656946062641354,0.6371007813035432
EOS-2-22836,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncc4Cl)n23)cc1,DMOZCTFLTWFDFV-UHFFFAOYSA-N,2,1,0.628,59,817,433.834,4.015,5,0.413,0.7,1.0,0.9478188609416763,0.9465766568432595,0.8312829826605441,0.8453755739839627,0.8927635186073607
EOS-2-22837,Fc1cncc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1,IAAABLLRKGOXTP-UHFFFAOYSA-N,2,1,0.64,73,82,433.834,4.015,5,0.413,0.71,1.0,0.9717976835035296,0.9713779041875128,0.7157837022822288,0.7630217257213351,0.8554952539236516
EOS-2-22838,Fc1cncc(-c2ccnnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,UQJULURGBDOCFP-UHFFFAOYSA-N,2,1,0.549,34,71,433.834,4.015,5,0.413,0.69,1.0,0.8745288191350833,0.9517939140566103,0.7467959701185662,0.806918648481941,0.8450093379480502
EOS-2-22839,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)nc1,NGUFKSNNFSSGTH-UHFFFAOYSA-N,2,1,0.512,97,390,433.834,4.015,5,0.386,0.68,1.0,0.7391971078061819,0.8980707285312864,0.7390943047083819,0.752681447467617,0.7822608971283668
EOS-2-22840,Fc1cnccc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,QNXQKBMUUJYUMK-UHFFFAOYSA-N,2,1,0.556,97,335,433.834,4.015,5,0.413,0.75,1.0,0.954920841614694,0.964772805153862,0.6842745528065246,0.742495373860599,0.8366158933589201
EOS-2-22841,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)c1,MWMAHDULHAAYOW-UHFFFAOYSA-N,2,1,0.541,2,390,433.834,4.015,5,0.413,0.73,1.0,0.6419196765129189,0.8038688232472072,0.7468045370433829,0.7801470084298541,0.7431850113083408
EOS-2-22842,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5Cl)c4)n23)cc1,GBIOQGGTMDTBMD-UHFFFAOYSA-N,2,1,0.593,97,817,433.834,4.015,5,0.386,0.69,1.0,0.9511428277705435,0.9093962031389212,0.8363631690768282,0.8472003289699129,0.8860256322390515
EOS-2-22843,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cncnc1,XEBIKFWSTQWWTA-UHFFFAOYSA-N,2,1,0.549,4,817,433.834,4.015,5,0.413,0.73,1.0,0.8659704612432322,0.953010417380577,0.744328695771366,0.7822630388595709,0.8363931533136866
EOS-2-22844,Fc1ccccc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)cnn3)n12,HIPQGKILHIQEGN-UHFFFAOYSA-N,2,1,0.438,19,207,433.834,4.015,5,0.386,0.73,1.0,0.6756990610650401,0.6923017613597423,0.7898790350215886,0.8336988554588445,0.7478946782263038
EOS-2-22845,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)c4)n23)cc1Cl,SQHVKMQIQDIWPO-UHFFFAOYSA-N,2,1,0.568,2,817,433.834,4.015,5,0.413,0.69,1.0,0.9125573983962717,0.9153673497361388,0.8727554656980331,0.8748886299773834,0.8938922109519568
EOS-2-22846,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1Cl,ZOVRXYIMZVQYKK-UHFFFAOYSA-N,2,1,0.536,2,469,433.834,4.015,5,0.413,0.73,1.0,0.7272719484613803,0.8114933863340416,0.7628503872250018,0.7727537523130698,0.7685923685833733
EOS-2-22847,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nn2)cc1,SKFUGSMRSNXVHG-UHFFFAOYSA-N,2,1,0.524,54,691,433.834,4.015,5,0.386,0.8,1.0,0.8313086834349942,0.7612655061339182,0.7237766431361798,0.7801555753546707,0.7741266020149408
EOS-2-22848,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)cn1,BIWMQHNEVINFRR-UHFFFAOYSA-N,2,1,0.512,55,959,433.834,4.015,5,0.386,0.8,1.0,0.8804571311082174,0.8341957370982113,0.7898876019464053,0.7845504077856212,0.8222727194846138
EOS-2-22849,Fc1ncccc1COc1cncc2nnc(-c3ccc(-c4ccccc4Cl)nn3)n12,XWTSGRXARLZEHM-UHFFFAOYSA-N,2,1,0.438,19,691,433.834,4.015,5,0.386,0.74,1.0,0.7831025974916044,0.7301247344253307,0.6790315948187239,0.7551401548900006,0.7368497704064149
EOS-2-22850,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)nc1,UYNYPTGKOUXLCQ-UHFFFAOYSA-N,2,1,0.5,46,267,433.834,4.015,5,0.413,0.69,1.0,0.5338479199506545,0.5814200534576108,0.6926787060516757,0.7317438832156808,0.6349226406689055
EOS-2-22851,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nc1,GDCGFIAMZYJMQH-UHFFFAOYSA-N,2,1,0.549,73,401,433.834,4.015,5,0.413,0.76,1.0,0.8133181413199918,0.9465852237680762,0.6790401617435405,0.7448512781851826,0.7959487012541978
EOS-2-22852,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)c1,IIBDYKXRGQHMJP-UHFFFAOYSA-N,2,1,0.488,55,879,433.834,4.015,5,0.386,0.77,1.0,0.8804656980330341,0.8444760468782126,0.7859468165307382,0.7938455212117058,0.8261835206634227
EOS-2-22853,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)n1,SLZCBMCNNSLDGT-UHFFFAOYSA-N,2,1,0.465,24,786,433.834,4.015,5,0.386,0.76,1.0,0.85024158727983,0.8510640120622301,0.7342282914125146,0.7425039407854157,0.7945094578849976
EOS-2-22854,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c(Cl)c1,XVWHYOCJRBVTHE-UHFFFAOYSA-N,2,1,0.477,46,119,433.834,4.015,5,0.413,0.74,1.0,0.6052104036734973,0.687512850387225,0.6898002193132753,0.7397967925433486,0.6805800664793366
EOS-2-22855,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2)c1,TVHMGYPJXHCCMX-UHFFFAOYSA-N,2,1,0.494,46,162,433.834,4.015,5,0.413,0.78,1.0,0.605218970598314,0.7024535672674936,0.7366527311356316,0.7752552943595367,0.704895140840244
EOS-2-22856,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nc1,LCMGKTBPNLVYTQ-UHFFFAOYSA-N,2,1,0.556,34,335,433.834,4.015,5,0.413,0.77,1.0,0.9468850661366596,0.9685593859228291,0.6189860187786992,0.6937067370296758,0.8070343019669659
EOS-2-22857,Fc1ccc(COc2cncc3nnc(-c4cccnc4)n23)nc1-c1ccc(Cl)nc1,GZMANKAUNYRWAU-UHFFFAOYSA-N,2,1,0.523,97,390,433.834,4.015,5,0.386,0.74,1.0,0.6276300459187171,0.7915752861352888,0.6952916181207593,0.7210780618189295,0.7088937529984237
EOS-2-22858,Fc1ccnc(-c2ncccc2-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,HBUFWCPFCNJWMU-UHFFFAOYSA-N,2,1,0.585,24,71,433.834,4.015,5,0.413,0.66,0.916,0.6108388732780481,0.7301333013501473,0.6274929751216504,0.6906826125693921,0.6647869405798095
EOS-2-22859,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)nc4)n23)cc1,FJJCRHQADMDUEO-UHFFFAOYSA-N,2,1,0.645,73,665,433.834,4.015,5,0.413,0.76,1.0,0.9666061270646289,0.947596120896443,0.6736172983345898,0.7130765540401618,0.8252240250839559
EOS-2-22860,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccncc5)n34)cn2)cc(Cl)n1,CUXMULPSGFYTIW-UHFFFAOYSA-N,2,1,0.482,97,565,433.834,4.015,5,0.386,0.78,1.0,0.8238383249948599,0.8155112740730588,0.7836937153039545,0.7752638612843533,0.7995767939140567
EOS-2-22861,Fc1cccc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)nc4)n23)c1,RZMQAPUDHDCEGU-UHFFFAOYSA-N,2,1,0.553,73,665,433.834,4.015,5,0.413,0.78,1.0,0.8212168460009595,0.8481084230004797,0.6542132136248372,0.6963539167980262,0.7549730998560756
EOS-2-22862,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,HGNXAOQLFWIDBO-UHFFFAOYSA-N,2,1,0.605,97,969,433.834,4.015,5,0.386,0.8,1.0,0.9423788636830923,0.9677969296141457,0.7342368583373312,0.7705092180111027,0.8537304674114179
EOS-2-22863,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncc1-c1ncccn1,UUEHIACLLPHCPJ-UHFFFAOYSA-N,2,1,0.575,4,539,433.834,4.015,5,0.413,0.74,1.0,0.9078712905215544,0.9613803029264615,0.6842831197313413,0.7317524501404976,0.8213217908299637
EOS-2-22864,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cn1,YDNDYCQBXVQPBA-UHFFFAOYSA-N,2,1,0.471,97,19,433.834,4.015,5,0.386,0.73,1.0,0.6934668631348091,0.730141868274964,0.6842916866561579,0.7236053046398465,0.7078764306764445
EOS-2-22865,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cccnc5Cl)cn4)n23)c1,WINBVDRCPYNEAE-UHFFFAOYSA-N,2,1,0.5,46,119,433.834,4.015,5,0.386,0.75,1.0,0.6331899801247344,0.7163748200945789,0.7213436364882462,0.7578130354328011,0.7071803680350901
EOS-2-22866,Fc1cnccc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cn4)ccn3)n12,VEVWELLKKVRFPQ-UHFFFAOYSA-N,2,1,0.42,46,181,433.834,4.015,5,0.413,0.7,1.0,0.714952710575012,0.6483534370502364,0.7606144198478514,0.7868463436364882,0.727691727777397
EOS-2-22867,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4cccnc4)cn3)n12,WPFPJTUVUYBPIT-UHFFFAOYSA-N,2,1,0.537,73,969,433.834,4.015,5,0.413,0.74,1.0,0.8107309300253581,0.9442892879172092,0.7106264135425947,0.7578216023576178,0.805867058460695
EOS-2-22868,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cnccn1,KURDYFVADZKHHN-UHFFFAOYSA-N,2,1,0.588,73,71,433.834,4.015,5,0.413,0.65,1.0,0.8082636556781577,0.8510725789870468,0.7768230416009869,0.7938540881365225,0.8075033411006785
EOS-2-22869,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cn4)n23)c1,HDKINNAMEPUUTG-UHFFFAOYSA-N,2,1,0.483,46,119,433.834,4.015,5,0.386,0.78,1.0,0.5682526900143924,0.6972020423548763,0.7443372626961826,0.7727623192378864,0.6956385785758344
EOS-2-22870,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,DTESFDCYUNKQIW-UHFFFAOYSA-N,2,1,0.506,55,540,433.834,4.015,5,0.413,0.76,1.0,0.8637944623397985,0.8775615105201837,0.769909533273936,0.7938626550613391,0.8262820402988144
EOS-2-22871,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)nc1,SFIFUWPCTSPHBS-UHFFFAOYSA-N,2,1,0.494,72,799,433.834,4.015,5,0.413,0.74,1.0,0.6391696936467686,0.692310328284559,0.6736258652594065,0.7210866287437462,0.6815481289836199
EOS-2-22872,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nn2)cc1,RUXOONISTBZDBG-UHFFFAOYSA-N,2,1,0.506,54,691,433.834,4.015,5,0.413,0.8,0.999,0.8082722226029745,0.7442344595983825,0.7213522034130628,0.7915067507367556,0.7663414090877938
EOS-2-22873,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cnncn5)n34)ccc2Cl)c1,ADVRURJBMKYGLN-UHFFFAOYSA-N,2,1,0.506,34,929,433.834,4.015,5,0.413,0.78,1.0,0.8433452128024125,0.9400486601329586,0.8148687547118086,0.8608474402028647,0.8647775169625112
EOS-2-22874,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3cncc(-c4cncnc4)c3)n12,WMCDOMQHEUSBEN-UHFFFAOYSA-N,2,1,0.494,2,884,433.834,4.015,5,0.413,0.74,1.0,0.7304502775683641,0.7996024946885066,0.8686690425604825,0.8762507710232335,0.8187431464601467
EOS-2-22875,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)ccc1Cl,LJKPCXPXUWAOTL-UHFFFAOYSA-N,2,1,0.595,59,294,433.834,4.015,5,0.413,0.82,1.0,0.8680693578233157,0.8192550202179426,0.847405935165513,0.852563223905147,0.8468233842779795
EOS-2-22876,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cc1Cl,NTEOHQZNBARKGX-UHFFFAOYSA-N,2,1,0.588,59,770,433.834,4.015,5,0.413,0.76,1.0,0.9404770063737921,0.9329381125351244,0.7342454252621479,0.7448598451099994,0.8381300973202659
EOS-2-22877,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cncc(-c4cncnc4)c3)n12,OEFQCKMYVLXNCP-UHFFFAOYSA-N,2,1,0.476,2,884,433.834,4.015,5,0.413,0.72,1.0,0.7744243026523199,0.7830940305667877,0.8524689877321636,0.8673240353642656,0.8193278390788842
EOS-2-22878,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)cc1,QMMFBOCHHPHTCK-UHFFFAOYSA-N,2,1,0.483,44,488,433.834,4.015,5,0.413,0.73,0.999,0.7774569940374203,0.7071568089918443,0.760622986772668,0.8069272154067576,0.7630410013021726
EOS-2-22879,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)cc1Cl,XADCOEOTBMBEIX-UHFFFAOYSA-N,2,1,0.645,2,884,433.834,4.015,5,0.413,0.75,1.0,0.8133267082448085,0.8307004317730108,0.879232060859434,0.8818878075526009,0.8512867521074634
EOS-2-22880,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1Cl,DEERWYMNLNDHDQ-UHFFFAOYSA-N,2,1,0.494,46,267,433.834,4.015,5,0.413,0.72,1.0,0.6448752655746693,0.6923188952093756,0.70056027688301,0.7236138715646632,0.6903420773079296
EOS-2-22881,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)ccn1,UDCBZIBZPDLHRP-UHFFFAOYSA-N,2,1,0.549,34,372,433.834,4.015,5,0.386,0.75,1.0,0.8745373860599,0.9465937906928928,0.7289767664998972,0.7727708861627031,0.8307197073538483
EOS-2-22882,Fc1ccc(-c2nnc3cncc(OCc4nnccc4-c4ncccc4Cl)n23)cc1,JHRZXDMRXDIJGQ-UHFFFAOYSA-N,2,1,0.542,34,32,433.834,4.015,5,0.413,0.65,1.0,0.8082807895277911,0.9172006716469057,0.639829346857652,0.7371324789253649,0.7756108217394285
EOS-2-22883,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2)cn1,LDDLAGIHAPWNRC-UHFFFAOYSA-N,2,1,0.471,46,959,433.834,4.015,5,0.386,0.72,1.0,0.6331985470495511,0.7208553217736962,0.7418357206497156,0.7630302926461517,0.7147299705297787
EOS-2-22884,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5cc(F)cc(Cl)c5)n34)ccn2)cn1,PGCNQLMUOKGQKX-UHFFFAOYSA-N,2,1,0.506,13,110,433.834,4.537,5,0.411,0.76,1.0,0.7570334452744842,0.7996110616133233,0.772308272222603,0.7727794530875197,0.7754330580494826
EOS-2-22885,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)cn1,CIOBOIOMYPLJJH-UHFFFAOYSA-N,2,1,0.494,13,110,433.834,4.537,5,0.411,0.71,1.0,0.7484579535329998,0.7701494071688026,0.7837022822287711,0.7727880200123364,0.7687744157357276
EOS-2-22886,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncncn5)cc4)n23)cc1Cl,SWUQJTYEYMZDNN-UHFFFAOYSA-N,2,1,0.779,43,337,433.834,4.015,5,0.413,0.74,1.0,0.9815040093208142,0.9530189843053938,0.8458810225481461,0.8376739085737783,0.9045194811870332
EOS-2-22887,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ncccn4)nc3)n12,OVCAZGNPHUGDQQ-UHFFFAOYSA-N,2,1,0.541,59,770,433.834,4.015,5,0.413,0.78,1.0,0.9110410527037215,0.9487183880474265,0.6979473648139264,0.7236224384894798,0.8203323110136385
EOS-2-22888,Fc1cncc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,AIGRAGQPTIERNU-UHFFFAOYSA-N,2,1,0.542,73,401,433.834,4.015,5,0.413,0.75,1.0,0.9125659653210884,0.9550407785621273,0.6573230073332876,0.734502433006648,0.8148580460557878
EOS-2-22889,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccncn5)cn4)n23)ccc1Cl,XTZHGXVCPCTJHU-UHFFFAOYSA-N,2,1,0.573,44,294,433.834,4.015,5,0.413,0.76,1.0,0.903236584195737,0.8270509218011103,0.820068878075526,0.8196490987595093,0.8425013707079707
EOS-2-22890,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)cc1,PUHLMBPWVOAYFH-UHFFFAOYSA-N,2,1,0.5,44,488,433.834,4.015,5,0.386,0.74,0.999,0.8212254129257761,0.7118686176410116,0.7628589541498184,0.7962271263107394,0.7730450277568364
EOS-2-22891,Fc1ccccc1-c1nnc2cncc(OCc3cncc(-c4ccc(Cl)cn4)n3)n12,VKGRDBJRSCIVFL-UHFFFAOYSA-N,2,1,0.512,73,877,433.834,4.015,5,0.413,0.74,1.0,0.656826125693921,0.8155198409978754,0.6398379137824687,0.7130851209649784,0.7063172503598109
EOS-2-22892,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccc5Cl)n34)nc2)cn1,MECYOCUVYYBXIM-UHFFFAOYSA-N,2,1,0.449,46,959,433.834,4.015,5,0.386,0.75,1.0,0.6361370022616681,0.7208638886985128,0.7056404632992941,0.7474813241038997,0.7025306695908438
EOS-2-22893,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cc1Cl,BXSAOGOXOCKRTN-UHFFFAOYSA-N,2,1,0.595,59,294,433.834,4.015,5,0.413,0.82,1.0,0.8659790281680488,0.8155284079226921,0.8474145020903296,0.8540710026728805,0.8457482352134877
EOS-2-22894,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,VPMLLZCFINDXTP-UHFFFAOYSA-N,2,1,0.529,4,71,433.834,4.015,5,0.413,0.69,1.0,0.727280515386197,0.7785278596395038,0.7056490302241107,0.7705177849359194,0.7454937975464327
EOS-2-22895,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)cn1,RLYHYQFYUYNLQI-UHFFFAOYSA-N,2,1,0.5,44,488,433.834,4.015,5,0.386,0.74,0.999,0.8212339798505929,0.7530069906106504,0.765317661572202,0.7984202590638064,0.784494722774313
EOS-2-22896,Fc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cnccn1,CGDCHLYMBSJPKV-UHFFFAOYSA-N,2,1,0.548,4,31,433.834,4.015,5,0.386,0.73,1.0,0.8313172503598109,0.8192635871427593,0.7516191487903502,0.770526351860736,0.793181584538414
EOS-2-22897,Fc1cccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)cc5)nn4)n23)c1,ZKYBGJREBJFDLC-UHFFFAOYSA-N,2,1,0.575,34,929,433.834,4.015,5,0.413,0.81,1.0,0.6664296484134056,0.9112809265985882,0.6333184839969844,0.7425125077102324,0.7383853916798027
EOS-2-22898,Fc1cc(-c2cncnc2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,RYLMBUHAYJTCGF-UHFFFAOYSA-N,2,1,0.512,2,817,433.834,4.015,5,0.413,0.7,1.0,0.7971866218902063,0.7701579740936193,0.8474230690151463,0.8608560071276814,0.8189059180316633
EOS-2-22899,Fc1cccc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1,WYQCHNOEYYQQIB-UHFFFAOYSA-N,2,1,0.584,34,929,433.834,4.015,5,0.413,0.8,1.0,0.783111164416421,0.9638818449729285,0.6333270509218011,0.744868412034816,0.7812971180864916
EOS-2-22900,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)c2)cc1,AFHGLVNGMBURKQ-UHFFFAOYSA-N,2,1,0.488,97,160,433.834,4.015,5,0.386,0.73,1.0,0.8185182646837091,0.7301504351997807,0.7418442875745322,0.772796586937153,0.7658273935987938
EOS-2-22901,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4cccnn4)cn3)n12,NYFHODPNXHXUKC-UHFFFAOYSA-N,2,1,0.561,34,671,433.834,4.015,5,0.413,0.68,1.0,0.6391782605715852,0.7742700980056199,0.7186022205469125,0.760391679802618,0.7231105647316839
EOS-2-22902,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2)cc1,DRABGLLMWLGRMG-UHFFFAOYSA-N,2,1,0.452,73,210,433.834,4.015,5,0.413,0.77,1.0,0.7059060379686107,0.7612740730587348,0.6365139469536015,0.7130936878897951,0.7041969364676856
EOS-2-22903,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cncnn1,HTQLWTDZEQIHID-UHFFFAOYSA-N,2,1,0.671,34,372,433.834,4.015,5,0.413,0.73,1.0,0.9718062504283462,0.9730570214515798,0.8524775546569804,0.8762593379480502,0.9184000411212391
EOS-2-22904,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cc1,STTIADWBJNHIKV-UHFFFAOYSA-N,2,1,0.483,34,207,433.834,4.015,5,0.413,0.65,1.0,0.556918648481941,0.6535192927146871,0.7366612980604482,0.8048111849770406,0.6879776060585292
EOS-2-22905,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cc1Cl,WJCRDYPLVKCGKO-UHFFFAOYSA-N,2,1,0.603,54,691,433.834,4.015,5,0.413,0.79,1.0,0.8409122061544788,0.7915838530601056,0.7653262284970187,0.8048197519018573,0.8006605099033651
EOS-2-22906,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)nc1,WJVHWBVGXTXRFP-UHFFFAOYSA-N,2,1,0.483,34,207,433.834,4.015,5,0.413,0.67,1.0,0.5569272154067576,0.6535278596395038,0.7366698649852649,0.8048283188266739,0.68798831471455
EOS-2-22907,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)cc1Cl,PVRXSIWYJQRGJG-UHFFFAOYSA-N,2,1,0.542,44,488,433.834,4.015,5,0.413,0.73,1.0,0.7659773147830855,0.7118771845658283,0.7468131039681996,0.7776883010074703,0.7505889760811459
EOS-2-22908,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cc1,OTEALRNHLSUDRF-UHFFFAOYSA-N,2,1,0.477,34,207,433.834,4.015,5,0.413,0.65,1.0,0.5289819066547872,0.6288722500171339,0.7418528544993489,0.8158282502912755,0.6788838153656364
EOS-2-22909,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)ccn1,HGGOONXCVCXHGK-UHFFFAOYSA-N,2,1,0.542,97,539,433.834,4.015,5,0.386,0.71,1.0,0.8703481598245494,0.9508172846275101,0.7443458296209993,0.7752724282091701,0.8351959255705572
EOS-2-22910,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cnccn1,CQDHSXVXSLXUIS-UHFFFAOYSA-N,2,1,0.562,4,32,433.834,4.015,5,0.413,0.71,1.0,0.8804742649578507,0.9539442121855939,0.6790487286683572,0.7288225618531972,0.8105724419162497
EOS-2-22911,Cc1cc(-c2nnc3cncc(Oc4ncc(-c5ncccn5)cc4F)n23)ccc1Cl,DNTJBDDVLPBTGB-UHFFFAOYSA-N,2,1,0.42,13,412,433.834,4.537,5,0.411,0.78,1.0,0.8479884860530464,0.9002038928106367,0.7031046535535604,0.701956685628127,0.7883134295113425
EOS-2-22912,Fc1cccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)c1,OUZIHAFCEPDIPD-UHFFFAOYSA-N,2,1,0.5,4,137,433.834,4.015,5,0.413,0.77,1.0,0.5879052155438284,0.6824412308957577,0.7213607703378795,0.7845589747104379,0.6940665478719759
EOS-2-22913,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)cn1,CWNDLOQCYRZJTF-UHFFFAOYSA-N,2,1,0.506,97,525,433.834,4.015,5,0.386,0.72,1.0,0.8133352751696251,0.8155369748475088,0.8065588376396409,0.80057055719279,0.8090004112123912
EOS-2-22914,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,RXODFOIMUIVQRK-UHFFFAOYSA-N,2,1,0.519,2,959,433.834,4.015,5,0.386,0.74,1.0,0.7971951888150229,0.7442430265231992,0.8312915495853609,0.8255859776574601,0.7995789356452608
EOS-2-22915,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cc1,YMEUTJMJLAFGIM-UHFFFAOYSA-N,2,1,0.494,4,137,433.834,4.015,5,0.413,0.73,1.0,0.6247087245562333,0.744251593448016,0.7342539921869645,0.7893650195325885,0.7231448324309505
EOS-2-22916,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)cc5)nn4)n23)cc1,TYDFUVHFMSHCJE-UHFFFAOYSA-N,2,1,0.634,34,929,433.834,4.015,5,0.413,0.8,1.0,0.8502501542046467,0.955049345486944,0.6542217805496539,0.7578301692824344,0.8043378623809198
EOS-2-22917,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4cccnn4)c3)n12,PPRPTDGKYYUSOF-UHFFFAOYSA-N,2,1,0.494,24,332,433.834,4.015,5,0.413,0.71,1.0,0.780198409978754,0.7742786649304366,0.7653347954218354,0.7984288259886231,0.7795601740799123
EOS-2-22918,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)nc1,WGNIPRFWRWYBHR-UHFFFAOYSA-N,2,1,0.477,46,267,433.834,4.015,5,0.413,0.61,1.0,0.4980296072921664,0.5619131656500582,0.697955931738743,0.7448769789596327,0.6256939209101501
EOS-2-22919,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c1,OAJCMWDJLHYXMN-UHFFFAOYSA-N,2,1,0.467,46,157,433.834,4.015,5,0.386,0.77,1.0,0.49551093139606606,0.610222054691248,0.7468216708930162,0.7752809951339867,0.6569589130285793
EOS-2-22920,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cn1,QJNTYFMDHHACAE-UHFFFAOYSA-N,2,1,0.477,55,879,433.834,4.015,5,0.386,0.76,1.0,0.8680779247481324,0.8444846138030293,0.787728736892605,0.7962356932355562,0.8241317421698308
EOS-2-22921,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cn1,ZGLAWDIECLPOGB-UHFFFAOYSA-N,2,1,0.467,46,157,433.834,4.015,5,0.386,0.72,1.0,0.49306935782331573,0.6053988760194641,0.7491433075183332,0.7801641422794874,0.6569439209101501
EOS-2-22922,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccncn1,OKSIJAWGOREXAK-UHFFFAOYSA-N,2,1,0.541,34,32,433.834,4.015,5,0.413,0.73,1.0,0.9094647385374546,0.957730792954561,0.6979644986635597,0.742521074635049,0.826920276197656
EOS-2-22923,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2)c1,NUFYGATVJHPODG-UHFFFAOYSA-N,2,1,0.404,73,210,433.834,4.015,5,0.413,0.81,1.0,0.6757076279898567,0.7208724556233295,0.6218816393667329,0.7045010622986773,0.6807406963196492
EOS-2-22924,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)cc1,TVOSEKSOPGELGR-UHFFFAOYSA-N,2,1,0.53,34,799,433.834,4.015,5,0.413,0.75,1.0,0.7117229799191283,0.7871804537043383,0.6979730655883764,0.7551487218148174,0.7380063052566651
EOS-2-22925,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)nc1,NROFPFKUEGDDHY-UHFFFAOYSA-N,2,1,0.467,46,157,433.834,4.015,5,0.386,0.75,1.0,0.54943972311699,0.6288808169419505,0.7418614214241656,0.7657031731889521,0.6714712836680146
EOS-2-22926,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3cnc(-c4ccccc4)nn3)n12,SSEFMZWIEFJENY-UHFFFAOYSA-N,2,1,0.506,34,671,433.834,4.015,5,0.413,0.74,1.0,0.6664382153382222,0.8510811459118635,0.5420036323761223,0.6585566445068878,0.6795199095332739
EOS-2-22927,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cc1,MQDBSRVCTGVMGO-UHFFFAOYSA-N,2,1,0.634,34,929,433.834,4.015,5,0.413,0.81,1.0,0.8591254883147146,0.9678054965389624,0.6542303474744706,0.7578387362072511,0.8097500171338496
EOS-2-22928,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)ccc1-c1ncccn1,GBBYPNSJEAWGNR-UHFFFAOYSA-N,2,1,0.5,46,665,433.834,4.015,5,0.413,0.75,1.0,0.8985247755465698,0.8980792954561031,0.708039202247961,0.7425296415598657,0.8117932287026248
EOS-2-22929,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nc2)c1,BYFGHPRJLWCWRL-UHFFFAOYSA-N,2,1,0.443,46,959,433.834,4.015,5,0.386,0.83,1.0,0.8107394969501748,0.72547289424988,0.7837108491535878,0.7984373929134397,0.7795901583167707
EOS-2-22930,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)cc1Cl,PNNSDMJPZKYGST-UHFFFAOYSA-N,2,1,0.494,46,267,433.834,4.015,5,0.413,0.65,1.0,0.5494482900418066,0.5664279350284422,0.7031132204783771,0.7317610170653143,0.637687615653485
EOS-2-22931,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cn1,KZYDSNRTKZTLMY-UHFFFAOYSA-N,2,1,0.444,46,157,433.834,4.015,5,0.386,0.79,1.0,0.5207919265300528,0.5866887122198615,0.7157922692070454,0.7425382084846823,0.6414527791104105
EOS-2-22932,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccncc5Cl)n34)cc2)cn1,SNMMLDHXHVWDQO-UHFFFAOYSA-N,2,1,0.518,97,19,433.834,4.015,5,0.413,0.75,1.0,0.9395603454184086,0.8980878623809198,0.8027808237954903,0.8048368857514906,0.8613164793365773
EOS-2-22933,Fc1ncccc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,XGEAEFPNEMQDAV-UHFFFAOYSA-N,2,1,0.553,2,419,433.834,4.015,5,0.386,0.73,1.0,0.6695223082722226,0.7659173463093688,0.7723168391474197,0.786854910561305,0.748652851072579
EOS-2-22934,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)cn4)n23)n1,IWDZINFZWQQTEA-UHFFFAOYSA-N,2,1,0.456,46,119,433.834,4.015,5,0.386,0.81,1.0,0.6247172914810499,0.6824497978205744,0.7106349804674115,0.7474898910287163,0.691322990199438
EOS-2-22935,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)nc5)ccn4)n23)cc1,LLPZUKGQLDAYLC-UHFFFAOYSA-N,2,1,0.58,97,71,433.834,4.015,5,0.386,0.73,1.0,0.870356726749366,0.9153759166609554,0.7837194160784045,0.7868634774861216,0.8390788842437119
EOS-2-22936,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)ccc1Cl,NHHWILRZUNUVAS-UHFFFAOYSA-N,2,1,0.603,54,691,433.834,4.015,5,0.413,0.79,1.0,0.8433537797272291,0.7915924199849222,0.765343362346652,0.802660886848057,0.8007376122267151
EOS-2-22937,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,HKYYLPHIYWLPOP-UHFFFAOYSA-N,2,1,0.467,46,157,433.834,4.015,5,0.386,0.73,1.0,0.5466726064012062,0.6384500719621684,0.7443543965458159,0.7680847782879857,0.6743904632992941
EOS-2-22938,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)c1,LHFVFZGGCOVTPX-UHFFFAOYSA-N,2,1,0.477,34,207,433.834,4.015,5,0.413,0.67,1.0,0.5312264409567542,0.6384586388869852,0.7418699883489822,0.8136008498389418,0.6812889795079158
EOS-2-22939,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nc1,KOHLKNKADZXKAS-UHFFFAOYSA-N,2,1,0.623,73,82,433.834,4.015,5,0.413,0.74,1.0,0.9632050579124117,0.962322664656295,0.7213693372626961,0.7578473031320677,0.8511860907408677
EOS-2-22940,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1cncnc1,VSWBKNATYQKZED-UHFFFAOYSA-N,2,1,0.554,4,817,433.834,4.015,5,0.413,0.69,1.0,0.7915410184360222,0.8825988623123844,0.8295524638475773,0.8435251182235625,0.8368043657048866
EOS-2-22941,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)nc1,DSUJFXSQNFGVIE-UHFFFAOYSA-N,2,1,0.478,97,666,433.834,4.015,5,0.413,0.76,1.0,0.6601843602220547,0.6972106092796929,0.695300185045576,0.7263210198067301,0.6947540435885133
EOS-2-22942,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncc(Cl)c5)n4)n23)cc1,ZWOLZFWRHLYCMN-UHFFFAOYSA-N,2,1,0.542,73,401,433.834,4.015,5,0.413,0.76,1.0,0.8433623466520458,0.9153844835857721,0.7237852100609965,0.7822716057843876,0.8162009115208005
EOS-2-22943,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4cnccn4)nc3)n12,GJYBCKSGXIONCZ-UHFFFAOYSA-N,2,1,0.554,55,540,433.834,4.015,5,0.413,0.7,1.0,0.8703652936741827,0.9400572270577754,0.7677249674456857,0.7822801727092044,0.840106915221712
EOS-2-22944,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4cnccn4)nc3)n12,WTIWBABCYSZYEC-UHFFFAOYSA-N,2,1,0.506,59,540,433.834,4.015,5,0.413,0.72,1.0,0.8055136728120074,0.8115019532588582,0.7289853334247138,0.7551572887396341,0.7752895620588034
EOS-2-22945,Fc1cncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,LYKHAPZMVZWHEQ-UHFFFAOYSA-N,2,1,0.542,73,401,433.834,4.015,5,0.413,0.77,1.0,0.852563223905147,0.9498063874991433,0.7237937769858132,0.782288739634021,0.8271130320060311
EOS-2-22946,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,OJHCXZDIRHKRNX-UHFFFAOYSA-N,2,1,0.53,24,420,433.834,4.015,5,0.413,0.69,1.0,0.8764735110684668,0.8192721540675759,0.7342625591117813,0.7578558700568844,0.7969660235761771
EOS-2-22947,Fc1cccnc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,QDDAHWXUZUMRKZ-UHFFFAOYSA-N,2,1,0.529,72,22,433.834,4.015,5,0.413,0.77,1.0,0.8336817216092112,0.8192807209923926,0.6898087862380919,0.7210951956685628,0.7659666061270646
EOS-2-22948,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)nc1,RINGTWIFCUGAKS-UHFFFAOYSA-N,2,1,0.554,72,22,433.834,4.015,5,0.413,0.76,1.0,0.8082893564526078,0.837579672400795,0.7238023439106298,0.7448855458844493,0.7786392296621204
EOS-2-22949,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cncnc1,VQSJTQJNYLXBOV-UHFFFAOYSA-N,2,1,0.556,16,817,433.834,4.015,5,0.386,0.75,1.0,0.9322784593242409,0.8691316565005826,0.8583630320060311,0.8557072853128641,0.8788701082859297
EOS-2-22950,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)c1,KWSBQVDCKHWQCC-UHFFFAOYSA-N,2,1,0.402,46,160,433.834,4.015,5,0.386,0.76,1.0,0.7272890823110136,0.6629257761633884,0.7898961688712219,0.8112535124391749,0.7478411349461997
EOS-2-22951,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4ccncn4)nc3)n12,ZIFGGIRNGLQNSF-UHFFFAOYSA-N,2,1,0.494,24,910,433.834,4.015,5,0.413,0.69,1.0,0.8967942567336029,0.8775700774450004,0.8130097320265918,0.8136094167637585,0.8502458707422385
EOS-2-22952,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)nn1,ZRTYFLRQNKATPX-UHFFFAOYSA-N,2,1,0.5,19,691,433.834,4.015,5,0.413,0.71,1.0,0.5762970324172435,0.6726749366047563,0.6600387225001714,0.7551658556644507,0.6660441367966554
EOS-2-22953,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ccncn4)nc3)n12,OKTOEXPQHWNKRS-UHFFFAOYSA-N,2,1,0.477,24,332,433.834,4.015,5,0.413,0.74,1.0,0.8842437118771845,0.8719758755397162,0.7859553834555548,0.8026694537728737,0.8362111061613323
EOS-2-22954,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)cc1Cl,PJKQIMDXXLIGBK-UHFFFAOYSA-N,2,1,0.641,59,294,433.834,4.015,5,0.413,0.73,1.0,0.927301076005757,0.9112894935234048,0.8239154273182099,0.8237269549722431,0.8715582379549037
EOS-2-22955,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)ccc1Cl,RAELBDZOVMBCDC-UHFFFAOYSA-N,2,1,0.61,46,294,433.834,4.015,5,0.413,0.76,1.0,0.8703738605989993,0.8307089986978274,0.8065674045644575,0.8136179836885752,0.8303170618874649
EOS-2-22956,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1,AZSNOOXCHUAASE-UHFFFAOYSA-N,2,1,0.549,34,32,433.834,4.015,5,0.413,0.81,1.0,0.8547906243574807,0.9442978548420259,0.7186107874717291,0.780172709204304,0.8244679939688849
EOS-2-22957,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)nc1,AEAZULLQWCKWTM-UHFFFAOYSA-N,2,1,0.592,97,19,433.834,4.015,5,0.386,0.76,1.0,0.9572253443903777,0.8510897128366801,0.7315211431704476,0.7263295867315468,0.8165414467822629
EOS-2-22958,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,DPHVWBDZZOCKTD-UHFFFAOYSA-N,2,1,0.561,97,401,433.834,4.015,5,0.386,0.78,1.0,0.8336902885340278,0.9466023576177095,0.7342711260365979,0.7752895620588034,0.8224633335617847
EOS-2-22959,Fc1ccnc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1,KLZJQHZOVMDWEJ-UHFFFAOYSA-N,2,1,0.565,72,613,433.834,4.015,5,0.413,0.75,1.0,0.5466811733260228,0.6972191762045097,0.7131707902131451,0.747498457953533,0.6761423994243027
EOS-2-22960,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)cn1,IPQBQRPXRMGVTB-UHFFFAOYSA-N,2,1,0.553,97,525,433.834,4.015,5,0.386,0.69,1.0,0.5710112398053595,0.7254814611746967,0.7606315536974847,0.777696867932287,0.708705280652457
EOS-2-22961,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cc1,RNZIAAZFAGOHOL-UHFFFAOYSA-N,2,1,0.448,34,560,433.834,4.015,5,0.413,0.81,1.0,0.5966606127064629,0.6678003563840724,0.6790572955931738,0.7526900143924337,0.6740520697690358
EOS-2-22962,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ncn1,QDVHBLSVFRXCBO-UHFFFAOYSA-N,2,1,0.424,44,488,433.834,4.015,5,0.386,0.76,0.995,0.7304588444931808,0.7208810225481461,0.7537780138441506,0.7938712219861559,0.7497472757179083
EOS-2-22963,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)c1,OECXZMIIRFDVKU-UHFFFAOYSA-N,2,1,0.43,44,488,433.834,4.015,5,0.386,0.76,0.999,0.7180453704338291,0.6972277431293263,0.7581043108765677,0.7984459598382565,0.7429558460694948
EOS-2-22964,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2)cn1,ONYHMCZBUPRPHZ-UHFFFAOYSA-N,2,1,0.435,97,959,433.834,4.015,5,0.386,0.76,1.0,0.8157854156671921,0.7785364265643204,0.7940511274073059,0.7984545267630732,0.7967068741004729
EOS-2-22965,Fc1cc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)ccc1Cl,XOCYYNHMUGNAQA-UHFFFAOYSA-N,2,1,0.59,46,181,433.834,4.015,5,0.413,0.74,1.0,0.7802069769035707,0.7208895894729628,0.8087519703927079,0.8176615722020424,0.7818775272428209
EOS-2-22966,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)ccn1,QHGINNQEGCXFRC-UHFFFAOYSA-N,2,1,0.523,4,675,433.834,4.015,5,0.386,0.69,1.0,0.8842522788020012,0.951802480981427,0.7745099719004866,0.7938797889109726,0.8511111301487218
EOS-2-22967,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)cc1,HDKNPYPCFAVIFA-UHFFFAOYSA-N,2,1,0.477,44,488,433.834,4.015,5,0.386,0.76,1.0,0.777465560962237,0.7486035912548832,0.7699181001987526,0.8069357823315743,0.7757307586868618
EOS-2-22968,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)ccc1Cl,FWNMTIBHPBUYOP-UHFFFAOYSA-N,2,1,0.58,24,401,433.834,4.015,5,0.413,0.74,1.0,0.8157939825920087,0.9443064217668425,0.6979816325131931,0.7317695839901309,0.7974629052155437
EOS-2-22969,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)ccn1,MLMMLLHTMOJMSB-UHFFFAOYSA-N,2,1,0.489,97,31,433.834,4.015,5,0.386,0.8,1.0,0.5994362963470633,0.7486121581796998,0.7238109108354465,0.7371410458501816,0.7022501028030979
EOS-2-22970,Cc1nc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c(-c2cccnc2)n1,YGSURVGXEQMFSJ-UHFFFAOYSA-N,2,1,0.494,13,412,433.834,4.537,5,0.411,0.81,1.0,0.8455469124802961,0.940065793982592,0.5814286203824275,0.615353642656432,0.7455987423754369
EOS-2-22971,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)ccn1,NVXGNKVXTHGNKH-UHFFFAOYSA-N,2,1,0.56,24,183,433.834,4.015,5,0.386,0.66,1.0,0.6276386128435337,0.7118857514906449,0.7606401206223015,0.7728051538619697,0.7182424097046125
EOS-2-22972,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cc1Cl,SQBWCTKQJYDARU-UHFFFAOYSA-N,2,1,0.726,43,96,433.834,4.015,5,0.413,0.75,1.0,0.9718148173531629,0.9429014460969091,0.8672812007401823,0.8736892605030498,0.9139216811733261
EOS-2-22973,Fc1ccccc1-c1nnc2cncc(OCc3ccc(-c4ncncc4Cl)nc3)n12,CMVDLDZKSNLNGC-UHFFFAOYSA-N,2,1,0.517,59,389,433.834,4.015,5,0.413,0.74,1.0,0.8879274895483518,0.844493180727846,0.6953087519703927,0.7398053594681653,0.791883695428689
EOS-2-22974,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)ccc1Cl,DNHLKSCHXZJMPU-UHFFFAOYSA-N,2,1,0.726,43,96,433.834,4.015,5,0.413,0.74,1.0,0.9728000137070797,0.9443149886916592,0.867289767664999,0.872087245562333,0.9141230039065178
EOS-2-22975,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)ccc1Cl,WDSZKUDCDNLRCB-UHFFFAOYSA-N,2,1,0.561,4,391,433.834,4.015,5,0.413,0.74,1.0,0.8455554794051128,0.9359194023713248,0.7468302378178329,0.7801812761291207,0.8271215989308477
EOS-2-22976,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4ccncn4)nc3)n12,SHHXDRIYLXHVNB-UHFFFAOYSA-N,2,1,0.5,24,109,433.834,4.015,5,0.413,0.71,1.0,0.8952265094921527,0.8880816941950518,0.8065759714892742,0.8158368172160921,0.8514302480981426
EOS-2-22977,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)ccc1Cl,BCTCCPHCRZTAFA-UHFFFAOYSA-N,2,1,0.641,59,294,433.834,4.015,5,0.413,0.72,1.0,0.9299996573230074,0.9132684531560551,0.8239239942430265,0.8216965937906929,0.8722221746281954
EOS-2-22978,Cc1cncc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)n1,SNHVWIBICCRLKA-UHFFFAOYSA-N,2,1,0.561,2,995,433.834,4.537,5,0.411,0.72,1.0,0.7972037557398396,0.7530155575354671,0.7940596943321225,0.8026780206976903,0.78673925707628
EOS-2-22979,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)nn1,YUNBLKADJBLLBO-UHFFFAOYSA-N,2,1,0.556,72,992,433.834,4.015,5,0.386,0.71,1.0,0.9273096429305736,0.8445017476526626,0.7745185388253033,0.77529812898362,0.8304070145980399
EOS-2-22980,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cccnc1,ZBPAZMCNODBVAZ-UHFFFAOYSA-N,2,1,0.568,97,208,433.834,4.015,5,0.413,0.77,1.0,0.7513450071962169,0.8038773901720239,0.7391028716331985,0.7801898430539373,0.7686287780138441
EOS-2-22981,Fc1cc(-c2cncnc2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,XTNVVXOPACZOCF-UHFFFAOYSA-N,2,1,0.5,16,817,433.834,4.015,5,0.413,0.7,1.0,0.8985333424713865,0.882607429237201,0.8442447399081625,0.857489205674731,0.8707186793228703
EOS-2-22982,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)cc1,MRMFENSVNDUQJP-UHFFFAOYSA-N,2,1,0.477,97,137,433.834,4.015,5,0.386,0.7,1.0,0.6787574532245905,0.7831025974916044,0.6953173188952094,0.757864436981701,0.7287604516482764
EOS-2-22983,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)cc1Cl,BVRCLWOLERGUIQ-UHFFFAOYSA-N,2,1,0.575,44,488,433.834,4.015,5,0.413,0.72,0.998,0.7659858817079022,0.707165375916661,0.8148773216366253,0.8274878349667604,0.7788791035569872
EOS-2-22984,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)nn1,MNSBFTKCULEGEL-UHFFFAOYSA-N,2,1,0.488,72,613,433.834,4.015,5,0.386,0.65,1.0,0.7972123226646562,0.79961962853814,0.7677335343705024,0.7777054348571036,0.7855677301076006
EOS-2-22985,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)nc3)n12,DBANKPDDPIFFIJ-UHFFFAOYSA-N,2,1,0.465,55,879,433.834,4.015,5,0.386,0.8,1.0,0.870382427523816,0.8958433280789527,0.8065845384140908,0.8091289150846412,0.8454848022753751
EOS-2-22986,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)cn1,OVNZJNSPBSPDIQ-UHFFFAOYSA-N,2,1,0.398,44,971,433.834,4.537,5,0.411,0.69,1.0,0.6332071139743678,0.6776437529984237,0.7699266671235693,0.7705349187855527,0.7128281132204783
EOS-2-22987,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)nc1,SBJOBYGRELTXTF-UHFFFAOYSA-N,2,1,0.553,72,613,433.834,4.015,5,0.413,0.73,1.0,0.6303457610856007,0.7254900280995134,0.7080477691727778,0.7371496127749982,0.7002582927832226
EOS-2-22988,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)cc1Cl,DGULNBHALXBRNV-UHFFFAOYSA-N,2,1,0.59,46,181,433.834,4.015,5,0.413,0.73,1.0,0.7802155438283873,0.7208981563977794,0.8087605373175245,0.819657665684326,0.7823829758070042
EOS-2-22989,Fc1ccc(COc2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)c(Cl)c1,JXZMAAGTYKIKTI-UHFFFAOYSA-N,2,1,0.494,59,109,433.834,4.015,5,0.413,0.76,1.0,0.8265197724624769,0.8192892879172092,0.6898173531629086,0.737158179699815,0.7681961483106023
EOS-2-22990,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,LHOGOBYRCRBKNF-UHFFFAOYSA-N,2,1,0.455,55,879,433.834,4.015,5,0.386,0.75,1.0,0.8703909944486328,0.8746830237817833,0.7877373038174217,0.7893735864574053,0.8305462271263108
EOS-2-22991,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)nn1,MUGWDYUGRMKFKY-UHFFFAOYSA-N,2,1,0.554,72,22,433.834,4.015,5,0.413,0.63,1.0,0.805522239736824,0.8481169899252964,0.7289939003495305,0.7475070248783496,0.7825350387225002
EOS-2-22992,Fc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)c1,RRFQREMZMVTSEE-UHFFFAOYSA-N,2,1,0.549,72,992,433.834,4.015,5,0.386,0.59,1.0,0.8764820779932835,0.8192978548420259,0.7963299294085395,0.8048454526763074,0.8242388287300391
EOS-2-22993,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(Cl)c4)n23)c1,CEHSPUGTKINYIF-UHFFFAOYSA-N,2,1,0.537,16,817,433.834,4.015,5,0.413,0.73,1.0,0.9110496196285381,0.8746915907066,0.8554759783428141,0.8657220204235487,0.8767348022753751
EOS-2-22994,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cn1,CQUSXRWTSUTJBR-UHFFFAOYSA-N,2,1,0.556,72,992,433.834,4.015,5,0.386,0.76,1.0,0.9287231855253238,0.8445103145774793,0.7723254060722363,0.7728137207867863,0.8295931567404564
EOS-2-22995,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cn1,NHLIWNVSJOJYPG-UHFFFAOYSA-N,2,1,0.568,34,232,433.834,4.015,5,0.386,0.79,1.0,0.8615413611130148,0.9476046878212597,0.7263210198067301,0.7705434857103695,0.8265026386128436
EOS-2-22996,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4cccnc4)nn3)n12,JUDJGCHCELLPEF-UHFFFAOYSA-N,2,1,0.537,34,671,433.834,4.015,5,0.413,0.7,1.0,0.6391868274964019,0.7659259132341855,0.6652988143376054,0.7288311287780138,0.6998106709615517
EOS-2-22997,Cc1cccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)ncn2)n1,YCGAMROFWPINOZ-UHFFFAOYSA-N,2,1,0.379,44,971,433.834,4.537,5,0.411,0.76,1.0,0.6192772942224659,0.6197998766362827,0.6979901994380098,0.7211037625933795,0.6645427832225345
EOS-2-22998,Fc1cc(-c2nnc3cncc(OCc4cnnc(-c5ccccn5)c4)n23)ccc1Cl,ZODNTLFWXDGICB-UHFFFAOYSA-N,2,1,0.541,59,389,433.834,4.015,5,0.413,0.65,1.0,0.9287317524501405,0.9560002741415942,0.7537865807689672,0.7868720444109383,0.85634766294291
EOS-2-22999,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnc5)n4)n23)c(Cl)c1,ZMXWPSCVPSPQHR-UHFFFAOYSA-N,2,1,0.517,73,401,433.834,4.015,5,0.413,0.73,1.0,0.7243506270988965,0.8747001576314166,0.7106435473922281,0.7657117401137687,0.7688515180590776
EOS-2-23000,Cc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)n1,PSLHWCDYJHVKCK-UHFFFAOYSA-N,2,1,0.494,13,110,433.834,4.537,5,0.411,0.69,1.0,0.7304674114179974,0.7163833870193955,0.7366784319100815,0.7475155918031663,0.7327612055376602
EOS-2-23001,Fc1ccccc1-c1nccnc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,SEZCOCNGOPQHSW-UHFFFAOYSA-N,2,1,0.443,46,540,433.834,4.015,5,0.413,0.71,1.0,0.7688558015214858,0.6678089233088891,0.6218902062915496,0.7211123295181961,0.6949168151600301
EOS-2-23002,Fc1ccccc1-c1nnc2cncc(OCc3ccc(-c4ccc(Cl)nc4)nn3)n12,UPAOTCTYSOEUPS-UHFFFAOYSA-N,2,1,0.512,34,820,433.834,4.015,5,0.386,0.73,1.0,0.6876756219587417,0.8115105201836749,0.6871102049208416,0.7398139263929819,0.7315275683640601
EOS-2-23003,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nc1,MVHZMSUGFCYRRU-UHFFFAOYSA-N,2,1,0.595,73,82,433.834,4.015,5,0.413,0.76,1.0,0.8785467068741005,0.9476132547460764,0.6790658625179905,0.7183794805016791,0.8059013261599616
EOS-2-23004,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,CYPNNDFFAZXKAS-UHFFFAOYSA-N,2,1,0.42,46,157,433.834,4.015,5,0.386,0.74,1.0,0.7149612774998286,0.6923274621341923,0.7940682612569392,0.8005791241176068,0.7504840312521417
EOS-2-23005,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3nccnc3-c3ccncc3)n12,TUOAOLPVBKQPSY-UHFFFAOYSA-N,2,1,0.524,73,877,433.834,4.015,5,0.413,0.69,1.0,0.644883832499486,0.7348536769241313,0.6218987732163662,0.6963624837228428,0.6744996915907066
EOS-2-23006,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)cn1,MBZOLQURAROSLR-UHFFFAOYSA-N,2,1,0.476,55,959,433.834,4.015,5,0.386,0.78,1.0,0.868086491672949,0.8691402234253992,0.7963384963333562,0.7938883558357892,0.8318633918168734
EOS-2-23007,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)cn1,BNFVPXJAQJLSFN-UHFFFAOYSA-N,2,1,0.62,97,232,433.834,4.015,5,0.413,0.81,1.0,0.9564286203824275,0.9699643615927627,0.7491518744431499,0.772822287711603,0.8620917860324858
EOS-2-23008,COc1cc(-c2nnc3cncc(-c4cccnc4-c4ncc(F)cn4)n23)ccc1Cl,NORIHEUKNCOREH-UHFFFAOYSA-N,2,1,0.341,96,856,433.834,4.111,5,0.421,0.76,1.0,0.5569357823315743,0.6535364265643204,0.6459289973271195,0.670233363032006,0.631658642313755
EOS-2-23009,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)ccc1Cl,SEJJENDAKXKMFD-UHFFFAOYSA-N,2,1,0.588,4,817,433.834,4.015,5,0.413,0.7,1.0,0.8479970529778631,0.9415907065999589,0.8442533068329793,0.8453841409087793,0.8698063018298952
EOS-2-23010,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cc1,JCTUMUPXBZRXRA-UHFFFAOYSA-N,2,1,0.452,73,560,433.834,4.015,5,0.413,0.74,1.0,0.6568346926187376,0.6923360290590089,0.6365225138784182,0.7183880474264958,0.6760203207456651
EOS-2-23011,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4cnccn4)cn3)n12,YOSQYVPOHUMIQO-UHFFFAOYSA-N,2,1,0.568,73,540,433.834,4.015,5,0.413,0.64,1.0,0.797220889589473,0.9282605715852238,0.7653519292714687,0.7845675416352547,0.8188502330203551
EOS-2-23012,Fc1cc(Cl)cc(COc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)c1,NXZUSBYXNVAZKQ-UHFFFAOYSA-N,2,1,0.464,44,16,433.834,4.015,5,0.413,0.72,0.999,0.6165273113563156,0.6338410664108012,0.7837279830032212,0.8091374820094579,0.710808460694949
EOS-2-23013,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cn1,AEXIQZHHERCOBU-UHFFFAOYSA-N,2,1,0.518,72,613,433.834,4.015,5,0.386,0.72,1.0,0.8028579261188403,0.7486207251045165,0.7581128778013844,0.7657203070385854,0.7688279590158318
EOS-2-23014,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccnc(-c4cccnc4)n3)n12,KRTASCSLXMFYFL-UHFFFAOYSA-N,2,1,0.549,4,539,433.834,4.015,5,0.413,0.72,1.0,0.6695308751970392,0.8115190871084915,0.6189945857035158,0.6791429648413405,0.6947968782125968
EOS-2-23015,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cc1,HFFGHAMETAVOSW-UHFFFAOYSA-N,2,1,0.494,34,801,433.834,4.015,5,0.413,0.78,1.0,0.6876841888835583,0.8270594887259269,0.6871187718456583,0.7475241587279831,0.7373466520457816
EOS-2-23016,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,AUCKZKBIWSQFBA-UHFFFAOYSA-N,2,1,0.58,24,912,433.834,4.015,5,0.413,0.63,1.0,0.702650606538277,0.6776523199232404,0.6487303817421698,0.6822698923994243,0.6778258001507779
EOS-2-23017,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)ccc1Cl,VBERAZQRFWTJPX-UHFFFAOYSA-N,2,1,0.699,24,540,433.834,4.015,5,0.413,0.74,1.0,0.8933589198821191,0.8510982797614968,0.8167020766225755,0.8196662326091426,0.8452063772188336
EOS-2-23018,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5cncc(Cl)c5)n4)n23)cc1,KMUSHHWQVPGAHE-UHFFFAOYSA-N,2,1,0.542,73,335,433.834,4.015,5,0.413,0.81,1.0,0.9287403193749572,0.9400743609074087,0.6707559454458227,0.7345109999314646,0.8185204064149133
EOS-2-23019,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)n1,XGDVRWROWXWWGD-UHFFFAOYSA-N,2,1,0.541,34,675,433.834,4.015,5,0.386,0.75,1.0,0.907879857446371,0.9550579124117606,0.6979987663628264,0.7398224933177986,0.8251897573846891
EOS-2-23020,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)nc1,KJNQDLRIXRSSPE-UHFFFAOYSA-N,2,1,0.478,2,422,433.834,4.015,5,0.386,0.74,1.0,0.6448923994243027,0.6875214173120416,0.7158008361318621,0.7475327256527997,0.6989368446302515
EOS-2-23021,Fc1cncc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,NCSLRRRPFFOBDS-UHFFFAOYSA-N,2,1,0.554,73,539,433.834,4.015,5,0.413,0.74,1.0,0.884260845726818,0.956908368172161,0.6679802618052224,0.7288396957028305,0.8094972928517579
EOS-2-23022,Fc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4cccnn4)n23)cc1,NFZISWFZONAIQN-UHFFFAOYSA-N,2,1,0.494,34,820,433.834,4.015,5,0.386,0.73,1.0,0.7887482009457885,0.8934017545062024,0.6459375642519362,0.7236310054142965,0.7629296312795559
EOS-2-23023,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)nc1,SLVYUUQLLBKTIH-UHFFFAOYSA-N,2,1,0.53,2,162,433.834,4.015,5,0.413,0.71,1.0,0.6247258584058666,0.7209067233225961,0.7443629634706326,0.7728308546364198,0.7157065999588788
EOS-2-23024,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,BYZMFXALHZKDBP-UHFFFAOYSA-N,2,1,0.418,46,160,433.834,4.015,5,0.386,0.7,1.0,0.7860753204029881,0.6726835035295731,0.7628675210746351,0.7868806113357549,0.7521267390857378
EOS-2-23025,Fc1ncccc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,BQIRHXIRQVZIHB-UHFFFAOYSA-N,2,1,0.542,97,401,433.834,4.015,5,0.386,0.78,1.0,0.8502587211294633,0.94981495442396,0.6980073332876431,0.7475412925776164,0.8114055753546707
EOS-2-23026,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1,SBLOPXBJESYPRZ-UHFFFAOYSA-N,2,1,0.512,34,799,433.834,4.015,5,0.413,0.72,1.0,0.6601929271468714,0.7742872318552533,0.6190031526283325,0.6990953327393599,0.6881446610924542
EOS-2-23027,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)n4)n23)cc1,IECCQZHQDMYKRE-UHFFFAOYSA-N,2,1,0.554,34,268,433.834,4.015,5,0.413,0.72,1.0,0.8082979233774245,0.9112980604482215,0.6487389486669864,0.7019652525529436,0.767575046261394
EOS-2-23028,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)nc1,GSWYJIGYOQYERY-UHFFFAOYSA-N,2,1,0.512,73,19,433.834,4.015,5,0.413,0.75,1.0,0.8933674868069358,0.8691487903502159,0.6487475155918032,0.6937153039544925,0.7762447741758618
EOS-2-23029,Fc1ccnc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)c1,SGSZMSTXPRZZBG-UHFFFAOYSA-N,2,1,0.517,2,422,433.834,4.015,5,0.413,0.65,1.0,0.587913782468645,0.7071739428414776,0.7468388047426496,0.780198409978754,0.7055312350078816
EOS-2-23030,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,BPNNQFQAZKXZID-UHFFFAOYSA-N,2,1,0.519,24,540,433.834,4.015,5,0.413,0.71,1.0,0.8083064903022411,0.795233363032006,0.7768316085258036,0.8005876910424234,0.7952397882256186
EOS-2-23031,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2)c1,CANHPNXADLNVHB-UHFFFAOYSA-N,2,1,0.512,97,19,433.834,4.015,5,0.413,0.69,1.0,0.8055308066616408,0.8307175656226441,0.7537951476937839,0.7802069769035707,0.7925626242204099
EOS-2-23032,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,GYUVYEKGLLWQDT-UHFFFAOYSA-N,2,1,0.561,97,335,433.834,4.015,5,0.386,0.81,1.0,0.9273182098553903,0.9623312315811117,0.6790744294428072,0.7263381536563636,0.8237655061339182
EOS-2-23033,Fc1cc(Cl)cc(-c2nnc3cncc(OCc4ccnc(-c5cccnc5)n4)n23)c1,BWDPJFDUIJZZCX-UHFFFAOYSA-N,2,1,0.693,97,539,433.834,4.015,5,0.413,0.74,1.0,0.5624443149886916,0.7612826399835515,0.660047289424988,0.7045096292234939,0.6720709684051813
EOS-2-23034,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)cc1,VPMAQSAVUZOZBL-UHFFFAOYSA-N,2,1,0.6,59,109,433.834,4.015,5,0.386,0.76,1.0,0.9078884243711877,0.9094047700637379,0.7859639503803715,0.7868891782605716,0.8475365807689671
EOS-2-23035,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cccnc1,CEYYDAACZMPLLF-UHFFFAOYSA-N,2,1,0.556,97,335,433.834,4.015,5,0.413,0.79,1.0,0.9235059283119731,0.9664433554931122,0.6039939003495305,0.6791515317661572,0.7932736789801933
EOS-2-23036,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5Cl)n34)cc2)nn1,WNGOMCWSZNVBQE-UHFFFAOYSA-N,2,1,0.524,72,22,433.834,4.015,5,0.413,0.74,1.0,0.930008224247824,0.8747087245562333,0.791986498526489,0.804854019601124,0.8503893667329175
EOS-2-23037,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2)cc1,FJXTUEDALUUQKD-UHFFFAOYSA-N,2,1,0.5,34,691,433.834,4.015,5,0.413,0.76,0.997,0.6664467822630389,0.739634020971832,0.6764615173737235,0.7551744225892674,0.7094291857994655
EOS-2-23038,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)nn1,WQGXQWLUBYNGDQ-UHFFFAOYSA-N,2,1,0.449,19,691,433.834,4.015,5,0.386,0.8,1.0,0.6247344253306834,0.6726920704543897,0.6247515591803167,0.7157151668836954,0.6594733054622712
EOS-2-23039,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4cnccn4)ccn3)n12,XXJIGQGCERMBMG-UHFFFAOYSA-N,2,1,0.448,46,181,433.834,4.015,5,0.413,0.73,1.0,0.7026591734630937,0.6875299842368583,0.7899047357960387,0.8136265506133918,0.7484301110273457
EOS-2-23040,Fc1cnc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)nc1-c1cccnc1,HDLBDWGJVCPOAF-UHFFFAOYSA-N,2,1,0.517,97,210,433.834,4.015,5,0.413,0.7,1.0,0.7304759783428141,0.8342043040230279,0.5814371873072441,0.6615636351175382,0.7019202761976561
EOS-2-23041,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)ccn1,UNDVIDNZMZIBGN-UHFFFAOYSA-N,2,1,0.57,97,210,433.834,4.015,5,0.386,0.76,1.0,0.9444177917894593,0.9685679528476459,0.7342796929614146,0.7705520526351861,0.8544543725584266
EOS-2-23042,Fc1cccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,OGTVYIKBHZQOTD-UHFFFAOYSA-N,2,1,0.556,34,372,433.834,4.015,5,0.413,0.79,1.0,0.9194966074977726,0.9707353848262628,0.642844904393119,0.7657288739634021,0.8247014426701391
EOS-2-23043,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nn1,BWJBJCSHLULCTF-UHFFFAOYSA-N,2,1,0.554,34,268,433.834,4.015,5,0.413,0.69,1.0,0.8133438420944418,0.944323555616476,0.6514889315331369,0.7045181961483106,0.7784186313480913
EOS-2-23044,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)ccn1,CRVSQSMYOAFWIK-UHFFFAOYSA-N,2,1,0.517,4,390,433.834,4.015,5,0.386,0.71,1.0,0.6332156808991845,0.7996281954629566,0.7516277157151668,0.7630388595709684,0.7368776129120691
EOS-2-23045,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,TUZNMPQVKPOXLM-UHFFFAOYSA-N,2,1,0.5,16,540,433.834,4.015,5,0.413,0.72,1.0,0.9110581865533548,0.8907717085874854,0.8047512165033239,0.817670139126859,0.8560628126927559
EOS-2-23046,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)nc1,OWWZWYWZTJZQAN-UHFFFAOYSA-N,2,1,0.432,46,181,433.834,4.015,5,0.413,0.68,1.0,0.7149698444246453,0.6054074429442807,0.7366869988348982,0.7705606195600028,0.7069062264409567
EOS-2-23047,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)n1,FOZMYCUEOPEWRR-UHFFFAOYSA-N,2,1,0.494,97,19,433.834,4.015,5,0.386,0.58,1.0,0.8822818860941677,0.8572407648550476,0.627501542046467,0.6702419299568227,0.7593165307381262
EOS-2-23048,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,WUNJSJRYCXTQKB-UHFFFAOYSA-N,2,1,0.422,46,157,433.834,4.015,5,0.386,0.75,1.0,0.714978411349462,0.6629343430882051,0.7859725173051881,0.802686587622507,0.7416429648413406
EOS-2-23049,Fc1cnc(COc2cncc3nnc(-c4ccccc4)n23)nc1-c1ccc(Cl)nc1,HRERQJOWQLZRJN-UHFFFAOYSA-N,2,1,0.512,97,700,433.834,4.015,5,0.386,0.76,1.0,0.8336988554588445,0.8410492769515455,0.545387567678706,0.6181550270714824,0.7095726817901447
EOS-2-23050,Fc1cc(-c2nnc3cncc(OCc4ncnnc4-c4ccccc4)n23)ccc1Cl,KCDKZBLFAVEZNU-UHFFFAOYSA-N,2,1,0.56,43,700,433.834,4.015,5,0.413,0.72,1.0,0.9365704886573916,0.9498235213487767,0.6542389143992873,0.747549859502433,0.8220456959769722
EOS-2-23051,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)nn1,ULELWZAAISVZBM-UHFFFAOYSA-N,2,1,0.524,72,613,433.834,4.015,5,0.386,0.75,1.0,0.7972294565142897,0.8038859570968405,0.7005688438078267,0.7211208964430128,0.7557012884654924
EOS-2-23052,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cn2)cc1Cl,CMIHOYADIPHUOS-UHFFFAOYSA-N,2,1,0.494,4,820,433.834,4.015,5,0.413,0.8,1.0,0.7717085874854362,0.8270680556507436,0.7606486875471181,0.7938969227606059,0.788330563360976
EOS-2-23053,Fc1cnccc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,DIEJHUZHKNXSCT-UHFFFAOYSA-N,2,1,0.584,73,969,433.834,4.015,5,0.413,0.74,1.0,0.9511513946953601,0.9699729285175793,0.7366955657597148,0.7845761085600713,0.8605989993831813
EOS-2-23054,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1,FFXZDSZYRLCHGG-UHFFFAOYSA-N,2,1,0.482,97,959,433.834,4.015,5,0.386,0.74,1.0,0.8525717908299637,0.9172092385717223,0.7315297100952642,0.7475584264272497,0.8122172914810499
EOS-2-23055,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)nc1,LTNLGHZENIPREM-UHFFFAOYSA-N,2,1,0.438,46,692,433.834,4.015,5,0.386,0.72,1.0,0.7484665204578165,0.6102306216160647,0.7418785552737989,0.7604002467274347,0.7152439860187787
EOS-2-23056,Oc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)cc1,FMVFSHCZCCTAKT-UHFFFAOYSA-N,2,1,0.493,57,417,433.83,5.144,5,0.422,0.8,1.0,0.9461654444520595,0.9613888698512781,0.9109468165307382,0.9178431910081557,0.934086080460558
EOS-2-23057,N=c1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)n[nH]1,ASJQLVUTOLFHCG-UHFFFAOYSA-N,2,1,0.421,7,94,433.823,1.473,5,0.418,0.68,1.0,0.4905849496264821,0.5021845658282503,0.11913165650058255,0.11931156192173258,0.3078031834692619
EOS-2-23058,CC(F)(F)Cc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,HVZHRWHAUPJQNO-UHFFFAOYSA-N,2,1,0.62,90,255,433.821,4.756,4,0.439,0.76,1.0,0.947827427866493,0.9632307586868618,0.9788139949283805,0.9642844904393119,0.9635391679802617
EOS-2-23059,COc1ccc(Oc2cncc3nnc(-c4cnc(-c5cnc(Cl)nc5)cn4)n23)cn1,ASSHTDPYGWTNJL-UHFFFAOYSA-N,2,1,0.374,7,434,433.819,2.888,5,0.382,0.74,1.0,0.6165358782811322,0.5571670893016243,0.2756579398259201,0.21219416078404496,0.4153887670481804
EOS-2-23060,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)on2)nn1,RUDHTXLCGUIENZ-UHFFFAOYSA-N,2,1,0.5,36,134,433.819,2.679,5,0.41,0.67,1.0,0.4930779247481324,0.6535449934891372,0.40479576451237065,0.44027140017819205,0.4979225207319581
EOS-2-23061,Cn1cc(-c2noc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)n2)cn1,BCYFFHCHXHWWCZ-UHFFFAOYSA-N,2,1,0.477,92,399,433.819,2.679,5,0.41,0.71,1.0,0.5237475155918032,0.6483620039750532,0.3266996778836269,0.36780378315399903,0.4666532451511206
EOS-2-23062,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2)n[nH]1,MRQYIWQWCXHSOY-UHFFFAOYSA-N,2,1,0.365,51,924,433.819,1.959,5,0.44,0.67,0.738,0.47347680076759646,0.42214378726612295,0.17699266671235694,0.20319888972654376,0.318953036118155
EOS-2-23063,FCCCOc1ncc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cn1,GTLXWATXDUFTMS-UHFFFAOYSA-N,2,1,0.444,68,811,433.806,3.086,4,0.308,0.72,1.0,0.6757161949146734,0.5339421561236378,0.38661675005140156,0.3960917688986361,0.4980917174970872
EOS-2-23065,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(Br)nc5)n34)cn2)no1,QOOBBNPIDCSCEH-UHFFFAOYSA-N,2,1,0.433,7,535,466.259,2.676,5,0.357,0.69,1.0,0.4080768967171544,0.515574669316702,0.06578541566719211,0.06252998423685834,0.26299174148447674
EOS-2-23066,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1Cl,MIQMWQYRSSKIQR-UHFFFAOYSA-N,2,1,0.824,23,86,433.726,5.681,4,0.406,0.84,1.0,0.9837314097731479,0.990739154273182,0.970058597765746,0.9829089849907477,0.9818595367007059
EOS-2-23067,Cn1nc(-c2ccc(F)cn2)cc1Oc1cncc2nnc(-c3ccc(Br)cc3)n12,NCONIWCCDJWRBZ-UHFFFAOYSA-N,2,1,0.507,34,706,466.274,4.281,5,0.393,0.71,1.0,0.6052275375231307,0.7742957987800699,0.6008327050921801,0.6091426221643479,0.6473746658899322
EOS-2-23068,Fc1cc(-c2c[nH]cn2)ccc1-c1nnc2cncc(OCc3cc(Br)ccn3)n12,LTRHDYSTMJIGBA-UHFFFAOYSA-N,2,1,0.529,4,71,466.274,4.057,5,0.42,0.69,1.0,0.6419282434377356,0.6727006373792064,0.7342882598862313,0.7263467205811802,0.6938159653210882
EOS-2-23069,Fc1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)ccc1-c1cc[nH]n1,ZHGMUTQEDWRHAM-UHFFFAOYSA-N,2,1,0.553,4,71,466.274,4.057,5,0.42,0.69,1.0,0.7333287643067644,0.7396425878966486,0.7367041326845316,0.7263552875059969,0.7340076930984853
EOS-2-23070,Cn1nc(-c2ccc(F)nc2)cc1Oc1cncc2nnc(-c3ccc(Br)cc3)n12,NSUWPYNFHKQQAD-UHFFFAOYSA-N,2,1,0.5,34,706,466.274,4.281,5,0.368,0.76,1.0,0.59944486327188,0.7396511548214653,0.6707645123706394,0.6474025083955863,0.6643157597148928
EOS-2-23071,COc1cc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)nn5)cn4)n23)ccc1Cl,CUCCKMTWRTWHMZ-UHFFFAOYSA-N,2,1,0.409,13,412,466.288,4.751,5,0.366,0.75,1.0,0.7717171544102529,0.8270766225755602,0.7606572544719348,0.7371667466246317,0.7741544445205949
EOS-2-23072,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)ccc1-c1ccc(Cl)nc1,NAUYRYJRVJYAPV-UHFFFAOYSA-N,2,1,0.37,13,284,466.288,4.751,5,0.342,0.78,1.0,0.7272976492358303,0.6241090398190665,0.6790829963676239,0.6702504968816394,0.67518504557604
EOS-2-23073,Clc1cnc(COc2cncc3nnc(-c4ccc(Oc5ccc(Cl)nc5)cc4)n23)nc1,LQEKLZIRHDMPKU-UHFFFAOYSA-N,2,1,0.512,97,19,466.288,4.654,5,0.334,0.75,1.0,0.8591340552395312,0.8270851895003769,0.6707730792954562,0.7045267630731272,0.7653797717771229
EOS-2-23074,Cn1cc(Cl)cc(Oc2cncc3nnc(-c4cc(-c5ccnnc5)ccc4Cl)n23)c1=O,APVJRJDESSPZCH-UHFFFAOYSA-N,2,1,0.424,13,202,466.288,4.046,5,0.394,0.57,1.0,0.4147847988486053,0.5108200260434514,0.7158094030566787,0.784584675484888,0.606499725858406
EOS-2-23075,Cn1ncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)c2)cc1=O,IBUGEQQGMZERSL-UHFFFAOYSA-N,2,1,0.389,13,110,466.288,4.046,5,0.394,0.68,1.0,0.3931019121376191,0.3652851072578987,0.6764700842985402,0.744894112809266,0.5449378041258309
EOS-2-23076,O=c1[nH]cc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cc1Cl,YFSVWFNCPRGKMG-UHFFFAOYSA-N,2,1,0.426,2,419,466.288,3.822,5,0.419,0.66,1.0,0.5819340689466109,0.5430744979782057,0.7859810842300048,0.8435336851483791,0.6886308340758002
EOS-2-23077,Cn1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)c(Cl)c5)n34)nc2)cc1=O,QUAPHJAXNPXIRD-UHFFFAOYSA-N,2,1,0.506,13,573,466.288,4.046,5,0.394,0.77,1.0,0.4955194983208827,0.49282948392844905,0.6980159002124597,0.7604088136522514,0.6116934240285107
EOS-2-23078,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cnn2)cn1,JNMZUEMKVHLUNX-UHFFFAOYSA-N,2,1,0.421,87,778,466.292,3.362,5,0.274,0.51,0.999,0.5938249605921458,0.7486292920293331,0.3009732026591735,0.4217154410252896,0.5162857240764854
EOS-2-23079,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nn4)n23)cn1,RPHBEUOTYLDBBJ-UHFFFAOYSA-N,2,1,0.449,54,411,466.292,3.362,5,0.274,0.63,0.994,0.7513535741210335,0.7396597217462819,0.37553971626345006,0.4469279007607429,0.5783702282228771
EOS-2-23080,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)nn1,ZDVZQZNXFCMDGO-UHFFFAOYSA-N,2,1,0.479,87,434,466.292,3.362,5,0.347,0.65,1.0,0.6816873415118909,0.8511068466863135,0.31569974641902543,0.390291960797752,0.5596964738537455
EOS-2-23081,Cc1nc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)n1,LSCHWRKQTSAONY-UHFFFAOYSA-N,2,1,0.388,46,500,466.292,3.628,5,0.283,0.64,1.0,0.48317455966006445,0.5339507230484545,0.31944349256390925,0.36457405249811525,0.4252857069426359
EOS-2-23082,Clc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)nn2)c1,XLURLVIHTDGJCL-UHFFFAOYSA-N,2,1,0.385,54,411,466.292,3.362,5,0.371,0.63,0.694,0.6303543280104174,0.6431361798368858,0.27149441436501953,0.41197484750873825,0.48923994243026525
EOS-2-23083,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)ncn2)cn1,SUMUWWSQLXZEOA-UHFFFAOYSA-N,2,1,0.381,18,194,466.292,3.362,5,0.274,0.65,0.994,0.5544085395106573,0.6241176067438832,0.26792200671646904,0.3775101089712837,0.45598956548557323
EOS-2-23084,Clc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cn1,GTNDBHZTZHJCRB-UHFFFAOYSA-N,2,1,0.479,58,779,466.292,3.362,5,0.371,0.68,0.999,0.6906140771708588,0.8511154136111302,0.27566650675073673,0.37410903981906657,0.547876259337948
EOS-2-23085,Clc1cc(-c2cnc(-c3nnc4cncc(OCCc5cncnc5)n34)nc2)cnc1Cl,OCTFTKHNZMEHMQ-UHFFFAOYSA-N,2,1,0.44,65,435,466.292,3.362,5,0.347,0.64,1.0,0.7333373312315811,0.6151651703104654,0.39026626002330206,0.4841597560139812,0.5557321293948324
EOS-2-23086,Clc1ccc(CCOc2cncc3nnc(-c4cccnc4-c4cnc(Cl)nc4)n23)nn1,KZTZUWLJCVWOGM-UHFFFAOYSA-N,2,1,0.463,87,779,466.292,3.362,5,0.347,0.65,1.0,0.6906226440956754,0.7573161537934343,0.2427609485299157,0.3386162703036118,0.5073290041806593
EOS-2-23087,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cnn2)cn1,UDRUTMFJRZLRQE-UHFFFAOYSA-N,2,1,0.449,53,482,466.292,3.362,5,0.347,0.56,0.994,0.6052361044479474,0.7659344801590021,0.3489993831814132,0.46561236378589543,0.5464455828935645
EOS-2-23088,Cc1nnncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cnn1,DVCAQQBMCRFTSF-UHFFFAOYSA-N,2,1,0.5,36,659,466.292,3.628,5,0.383,0.62,1.0,0.7059146048934275,0.8659790281680488,0.4903365088067987,0.5968490850524296,0.6647698067301762
EOS-2-23089,Clc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cnn2)nc1,LFDATRFADFHZBI-UHFFFAOYSA-N,2,1,0.489,65,65,466.292,3.362,5,0.347,0.62,1.0,0.7599719004866013,0.8078010417380577,0.33757110547597835,0.44346686313480915,0.5872027277088616
EOS-2-23090,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)n1,MMDKAVBAXJNBKC-UHFFFAOYSA-N,2,1,0.463,65,434,466.292,3.362,5,0.347,0.6,0.999,0.742366869988349,0.8605647316839148,0.32301590021245974,0.3931618806113358,0.5797773456240148
EOS-2-23091,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)nn1,GSCGXKYQZGVVDD-UHFFFAOYSA-N,2,1,0.471,51,980,466.292,3.628,5,0.383,0.66,1.0,0.6538619697073539,0.6198084435610993,0.4229833458981564,0.49908333904461655,0.5489342745528065
EOS-2-23092,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ncn2)cn1,PWNHVTPHLMNLQD-UHFFFAOYSA-N,2,1,0.383,7,296,466.292,3.628,5,0.383,0.66,0.986,0.605244671372764,0.5155832362415187,0.42653005277225686,0.48689260503049825,0.5085626413542594
EOS-2-23093,Cc1cc(-c2nnc3cncc(OCc4ncnnc4-c4cnc(Cl)cn4)n23)ccc1Cl,HKSHTJFUJLKUDP-UHFFFAOYSA-N,2,1,0.447,7,212,466.292,3.628,5,0.383,0.62,0.798,0.6332242478240011,0.8232814748817764,0.35283736549928035,0.48087862380919744,0.5725554280035637
EOS-2-23094,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)o5)n34)cn2)cn1,IZBBNFMRGWVZKR-UHFFFAOYSA-N,2,1,0.456,92,860,466.299,4.004,5,0.373,0.66,1.0,0.3331762730450278,0.4529761496813104,0.35284593242409706,0.279710095264204,0.3546771126036598
EOS-2-23095,Fc1ccc(Cl)c(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c1,HPFKKEKOXGBQLO-UHFFFAOYSA-N,2,1,0.536,57,962,466.303,5.878,5,0.303,0.74,1.0,0.9015403330820368,0.9264186827496402,0.9703156055102461,0.9809300253580975,0.9448011616750052
EOS-2-23096,Fc1nc(Cl)ccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,FIVGOEITZZRXBZ-UHFFFAOYSA-N,2,1,0.595,57,23,466.303,5.878,5,0.303,0.77,1.0,0.9355681584538414,0.9359279692961414,0.957679391405661,0.9720803920224796,0.9503139777945309
EOS-2-23097,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccccc1Cl,ZFNBHJXXVGXGFZ-UHFFFAOYSA-N,2,1,0.568,57,461,466.303,5.878,5,0.324,0.79,1.0,0.9511599616201768,0.9763210198067301,0.934831402919608,0.9631108217394284,0.9563558015214858
EOS-2-23098,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5Cl)n34)cc2)c1,VEWNYZOZYIQDPH-UHFFFAOYSA-N,2,1,0.575,57,962,466.303,5.878,5,0.324,0.76,1.0,0.9777859639503804,0.9647813720786786,0.9721232266465629,0.982283599479131,0.9742435405386882
EOS-2-23099,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1Cl,JMWKDXANRUNGQG-UHFFFAOYSA-N,2,1,0.57,57,671,466.303,5.878,5,0.324,0.73,1.0,0.9744534301966966,0.9725173051881296,0.9671886779521623,0.9805959152902474,0.9736888321568089
EOS-2-23100,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1Cl,QPHKFYAUPWHLQA-UHFFFAOYSA-N,2,1,0.658,57,798,466.303,5.878,5,0.324,0.85,1.0,0.9896168871221986,0.9832173942841478,0.964695702830512,0.9769892399424303,0.9786298060448222
EOS-2-23101,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)cc3)n12,ILPKSRRJRKCGQC-UHFFFAOYSA-N,2,1,0.582,57,962,466.303,5.878,5,0.303,0.79,1.0,0.9755671304228634,0.9685765197724625,0.9725258721129464,0.9811698992529642,0.9744598553903091
EOS-2-23102,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1Cl,VUTIBPRCLJOQCX-UHFFFAOYSA-N,2,1,0.603,57,671,466.303,5.878,5,0.324,0.73,1.0,0.8859913645397848,0.9685850866972792,0.9587845247070111,0.9753015557535467,0.9471656329244055
EOS-2-23103,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4ccccc4Cl)c3)n12,FHMODWWQEFAOHO-UHFFFAOYSA-N,2,1,0.531,57,671,466.303,5.878,5,0.324,0.81,1.0,0.9311133575491741,0.9246110616133233,0.9587930916318278,0.9761325474607635,0.9476625145637723
EOS-2-23104,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)ccc1Cl,RZXMWHKQIJOMDV-UHFFFAOYSA-N,2,1,0.757,57,962,466.303,5.878,5,0.303,0.82,1.0,0.9878435336851484,0.9783085463641971,0.9753872250017134,0.9817695839901309,0.9808272222602974
EOS-2-23105,Fc1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1-c1ccc(Cl)nc1,GHFMIBLJZBSIJD-UHFFFAOYSA-N,2,1,0.662,57,798,466.303,5.878,5,0.303,0.75,1.0,0.9861215817969982,0.9881605099033651,0.9659636077033787,0.9785141525597971,0.9796899629908848
EOS-2-23106,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cc4)c3)n12,ABIONBDDBHLPNX-UHFFFAOYSA-N,2,1,0.595,57,798,466.303,5.878,5,0.324,0.77,1.0,0.9587502570077445,0.9569169350969776,0.9668374340346789,0.9798420259063807,0.9655866630114455
EOS-2-23107,Fc1ccc(Cl)c(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c1,JEYALNFPEODKQX-UHFFFAOYSA-N,2,1,0.529,57,709,466.303,5.878,5,0.324,0.74,1.0,0.9259989034336235,0.9208930162428894,0.9623826331300116,0.9761411143855802,0.9463539167980262
EOS-2-23108,Fc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)ccc1Cl,ZVNHIGYDRCBAEK-UHFFFAOYSA-N,2,1,0.684,57,11,466.303,5.878,5,0.324,0.78,1.0,0.9643701596874786,0.947621821670893,0.9664519224179289,0.9765094921526969,0.9637383489822494
EOS-2-23109,Fc1ccc(Cl)c(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,OHWZAZWPUUKSSG-UHFFFAOYSA-N,2,1,0.623,57,798,466.303,5.878,5,0.324,0.71,1.0,0.979704955109314,0.9819409224864643,0.9709923925707628,0.9829175519155644,0.9788889555205263
EOS-2-23110,Fc1c(Cl)cccc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,QBGVQDQNABNJTM-UHFFFAOYSA-N,2,1,0.636,57,798,466.303,5.878,5,0.324,0.78,1.0,0.9867983688575149,0.9828832842162977,0.9721317935713796,0.9822921664039477,0.981026403262285
EOS-2-23111,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cccc(Cl)c1,FPEYRIGLENUCSA-UHFFFAOYSA-N,2,1,0.58,57,461,466.303,5.878,5,0.324,0.83,1.0,0.95038037146186,0.9808443561099308,0.9374614488383249,0.9642930573641286,0.9582448084435611
EOS-2-23112,Fc1ccc(COc2cncc3nnc(-c4cccnc4-c4ccc(Cl)cc4)n23)c(Cl)c1,OFWFDUFOBIMVIN-UHFFFAOYSA-N,2,1,0.549,57,798,466.303,5.878,5,0.324,0.75,1.0,0.8725669933520663,0.9429100130217257,0.9514855047632101,0.9728257144815297,0.934947056404633
EOS-2-23113,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)cc4)c3)n12,KENSMMVRVURYRI-UHFFFAOYSA-N,2,1,0.568,57,137,466.303,5.878,5,0.324,0.85,1.0,0.9064320471523541,0.9282691385100404,0.972894249880063,0.9838941813446646,0.9478724042217805
EOS-2-23114,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cc4)c3)n12,UWJCVGKIEXNBKK-UHFFFAOYSA-N,2,1,0.59,57,798,466.303,5.878,5,0.324,0.81,1.0,0.9549294085395107,0.9560088410664108,0.962888081694195,0.977768830100747,0.9628987903502159
EOS-2-23115,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cn4)n23)cc1Cl,AHPMYSCBAURHJT-UHFFFAOYSA-N,2,1,0.608,57,13,466.303,5.878,5,0.324,0.86,1.0,0.9343602220546913,0.9190339935576726,0.9650897813720787,0.9791909396203139,0.949418734151189
EOS-2-23116,COc1ccc(Cl)cc1-c1nnc2cncc(-c3cc(Cl)cnc3-c3ccc(F)cc3)n12,NANHPYVWMQEYIL-UHFFFAOYSA-N,2,1,0.386,45,533,466.303,5.975,5,0.326,0.76,1.0,0.5081300116510178,0.6006785004454801,0.9442121855938592,0.962528270851895,0.753887242135563
EOS-2-23117,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)ccc1Cl,PTWUHNXIEMCPME-UHFFFAOYSA-N,2,1,0.494,13,145,466.303,6.4,5,0.307,0.81,1.0,0.8480056199026798,0.880105887190734,0.9700671646905626,0.9781714755671305,0.9190875368377767
EOS-2-23118,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5Cl)n34)c2)nc1,IMRBILFOPWVWCW-UHFFFAOYSA-N,2,1,0.529,57,709,466.303,5.878,5,0.324,0.77,1.0,0.9208930162428894,0.9264272496744569,0.9628966486190117,0.9753101226783634,0.9463817593036803
EOS-2-23119,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)nc4)c3)n12,OHXOWHKIEDIJMU-UHFFFAOYSA-N,2,1,0.524,57,962,466.303,5.878,5,0.303,0.78,1.0,0.8999468850661366,0.9209015831677061,0.9664604893427455,0.9781800424919471,0.9413722500171338
EOS-2-23120,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1Cl,QMTJHTAAJNNJDX-UHFFFAOYSA-N,2,1,0.689,57,798,466.303,5.878,5,0.324,0.85,1.0,0.9861301487218148,0.9858217394284148,0.9675142210951957,0.9785227194846138,0.9794972071825099
EOS-2-23121,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccnc(-c4ccccc4Cl)c3)n12,BVGKAWWFGNRNEO-UHFFFAOYSA-N,2,1,0.542,57,671,466.303,5.878,5,0.324,0.81,1.0,0.9412908642313755,0.9228034404770064,0.9637362072510451,0.9788653964772805,0.9516739771091769
EOS-2-23122,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cn4)cc3)n12,TYDDEKUHHCJWJZ-UHFFFAOYSA-N,2,1,0.568,57,951,466.303,5.878,5,0.324,0.79,1.0,0.982360701802481,0.9638904118977452,0.9664690562675622,0.9761496813103968,0.9722174628195464
EOS-2-23123,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cn4)c3)n12,QVEHYLAPVLJITA-UHFFFAOYSA-N,2,1,0.529,57,709,466.303,5.878,5,0.324,0.73,1.0,0.9260074703584401,0.9190425604824892,0.9629052155438284,0.97531868960318,0.9458184839969844
EOS-2-23124,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccnc3-c3cccc(Cl)c3)n12,LHXUYNSLDOWENV-UHFFFAOYSA-N,2,1,0.565,57,146,466.303,5.878,5,0.324,0.83,1.0,0.9549379754643273,0.9747704064149133,0.9448718388047427,0.9673171818244123,0.960474350627099
EOS-2-23125,Fc1cc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)ccc1Cl,XKUIKEJEWOHTPI-UHFFFAOYSA-N,2,1,0.746,57,13,466.303,5.878,5,0.324,0.8,1.0,0.9444263587142759,0.9498320882735933,0.9749503118360633,0.9846138030292646,0.9634556404632992
EOS-2-23126,Fc1ccc(OCc2cccc(Cl)n2)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,AOQGXGKNPPCFFN-UHFFFAOYSA-N,2,1,0.402,83,533,466.303,5.878,5,0.303,0.77,1.0,0.7802241107532041,0.8826159961620177,0.952753409636077,0.9687821259680625,0.8960939106298402
EOS-2-23127,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5Cl)nc4)n23)ccc1Cl,MKIAMNOZHNHWED-UHFFFAOYSA-N,2,1,0.667,57,13,466.303,5.878,5,0.324,0.88,1.0,0.9619028853402782,0.9606778150914947,0.9659721746281955,0.9785312864094304,0.9667710403673497
EOS-2-23128,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccc(Cl)nc1,WRGBSEKPBJSVSC-UHFFFAOYSA-N,2,1,0.699,57,798,466.303,5.878,5,0.303,0.75,1.0,0.9873295181961483,0.9881690768281818,0.9732454937975464,0.9826091426221644,0.9828383078610102
EOS-2-23129,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)ccn3)n12,IGVGUOGYOZGIQB-UHFFFAOYSA-N,2,1,0.512,57,560,466.303,5.878,5,0.324,0.88,0.999,0.8879360564731684,0.8801144541155507,0.9650983482968953,0.9791995065451305,0.9280870913576862
EOS-2-23130,Fc1cnc(-c2ccccc2)c(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c1,XCNSTUXRQZUXAU-UHFFFAOYSA-N,2,1,0.588,57,709,466.303,5.878,5,0.324,0.77,1.0,0.9830888904118977,0.9808529230347475,0.9436382016311425,0.9643016242889453,0.9679704098416833
EOS-2-23131,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(Cl)c5)cc4)n23)c1,FDEFVHPAKZUBMZ-UHFFFAOYSA-N,2,1,0.627,57,80,466.303,5.878,5,0.324,0.83,1.0,0.9833972997052978,0.9655952299362621,0.9721403604961962,0.9814354739222808,0.9756420910150093
EOS-2-23132,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)ccn3)n12,HOWIEOXKCKAFBG-UHFFFAOYSA-N,2,1,0.506,57,560,466.303,5.878,5,0.324,0.83,1.0,0.8433709135768624,0.8801230210403673,0.9641731204166952,0.9795593173874306,0.916806593105339
EOS-2-23133,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4cccc(Br)c4)n23)n(C)n1,NMYPWQBZEVXHGX-UHFFFAOYSA-N,2,1,0.473,36,292,466.303,3.358,5,0.392,0.58,1.0,0.3702881913508327,0.4928380508532657,0.07006031115070935,0.08932732506339525,0.25562846960455077
EOS-2-23134,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)ccn3)n12,QKNZUTHOCFYPRD-UHFFFAOYSA-N,2,1,0.506,57,560,466.303,5.878,5,0.324,0.84,1.0,0.8615499280378316,0.877578644369817,0.9637447741758618,0.9798505928311974,0.920680984853677
EOS-2-23135,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cccc(Cl)c1,JNAHJZZGSQRBMC-UHFFFAOYSA-N,2,1,0.562,57,962,466.303,5.878,5,0.324,0.72,1.0,0.9681910081557125,0.9466109245425263,0.9668460009594956,0.9806044822150641,0.9655631039681996
EOS-2-23136,Fc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ccc(Cl)cc1,RYYUOTXHWADLBJ-UHFFFAOYSA-N,2,1,0.58,57,461,466.303,5.878,5,0.303,0.79,1.0,0.9064406140771709,0.9487269549722431,0.9554005894044274,0.9728342814063464,0.945850609965047
EOS-2-23137,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)ccc1Cl,WBSLBLTWIJAKCB-UHFFFAOYSA-N,2,1,0.746,57,951,466.303,5.878,5,0.324,0.8,1.0,0.987081077376465,0.9778287985744637,0.9689448975395792,0.9777773970255637,0.9779080426290179
EOS-2-23138,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)cc4)c3)n12,OQACGQIBYFOMLW-UHFFFAOYSA-N,2,1,0.557,57,137,466.303,5.878,5,0.324,0.79,1.0,0.889777945308752,0.922812007401823,0.9684051812761291,0.9823007333287643,0.940823966828867
EOS-2-23139,Fc1ccc(-c2ccc(Cl)cc2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,WWMZVCFRJMICFF-UHFFFAOYSA-N,2,1,0.592,57,461,466.303,5.878,5,0.324,0.82,1.0,0.9613117675279281,0.980039065177164,0.9388921252827085,0.9662805839215955,0.961630885477349
EOS-2-23140,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cc1Cl,IXKIUPXMQCVWSS-UHFFFAOYSA-N,2,1,0.676,57,560,466.303,5.878,5,0.324,0.85,1.0,0.9322870262490577,0.9094133369885546,0.9675227880200123,0.9806130491398808,0.9474590500993763
EOS-2-23141,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)ccn3)n12,KARRXEVVNVZNAS-UHFFFAOYSA-N,2,1,0.5,57,560,466.303,5.878,5,0.324,0.88,1.0,0.8615584949626482,0.8719844424645329,0.9588016585566445,0.9777859639503804,0.9175326399835515
EOS-2-23142,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)cc1Cl,IIYIZTAXIXQILU-UHFFFAOYSA-N,2,1,0.684,57,11,466.303,5.878,5,0.324,0.77,1.0,0.9632136248372284,0.9466194914673429,0.9664776231923788,0.9765180590775135,0.9632071996436159
EOS-2-23143,Fc1cc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)c2)ccc1Cl,LKGFFVNGEAOHBC-UHFFFAOYSA-N,2,1,0.608,57,137,466.303,5.878,5,0.324,0.79,1.0,0.9064491810019876,0.9282777054348571,0.9732540607223631,0.9841768898636145,0.9480394592557055
EOS-2-23144,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)ccc1Cl,BOWHZNULAJUHJR-UHFFFAOYSA-N,2,1,0.676,57,560,466.303,5.878,5,0.324,0.85,1.0,0.9322955931738743,0.9113066273730381,0.967531354944829,0.9806216160646974,0.9479387978891096
EOS-2-23145,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)nc3)n12,UOLOFTCKPNHSIC-UHFFFAOYSA-N,2,1,0.57,57,801,466.303,5.878,5,0.324,0.82,1.0,0.9311219244739908,0.9632393256116785,0.9655266945377288,0.9788739634020972,0.9596904770063738
EOS-2-23146,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)cc1Cl,HLTQWJXZVIVFBI-UHFFFAOYSA-N,2,1,0.746,57,13,466.303,5.878,5,0.324,0.8,1.0,0.9434240285107258,0.9508258515523268,0.9749588787608799,0.9848279761496813,0.9635091837434034
EOS-2-23147,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccccc4Cl)cn3)n12,JNOJIMVSFBYQPI-UHFFFAOYSA-N,2,1,0.595,57,461,466.303,5.878,5,0.324,0.74,1.0,0.8842694126516346,0.9613974367760949,0.9564971557809608,0.9745133986704133,0.944169350969776
EOS-2-23148,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cn4)cc3)n12,NNKZVAGFWDLVEH-UHFFFAOYSA-N,2,1,0.557,57,709,466.303,5.878,5,0.324,0.78,1.0,0.9767493660475636,0.9606863820163114,0.9607720512644781,0.9741193201288465,0.9680817798642999
EOS-2-23149,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)nc4)c3)n12,XRLSXVIZUFUQJS-UHFFFAOYSA-N,2,1,0.536,57,962,466.303,5.878,5,0.303,0.78,1.0,0.9153502158865053,0.9228205743266397,0.9710009594955795,0.979859159756014,0.9472577273661846
EOS-2-23150,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)ccc1Cl,DNCKVGKASZAFBK-UHFFFAOYSA-N,2,1,0.746,57,13,466.303,5.878,5,0.324,0.84,1.0,0.9625625385511617,0.9730655883763965,0.9689534644643959,0.9798677266808307,0.9711123295181961
EOS-2-23151,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cn4)c3)n12,ZXTVLNDDAYGDSE-UHFFFAOYSA-N,2,1,0.529,57,962,466.303,5.878,5,0.324,0.77,1.0,0.9365790555822082,0.9209101500925228,0.9637533411006785,0.9748732095127133,0.9490289390720308
EOS-2-23152,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)cc1Cl,BDWCGRRINRSHPK-UHFFFAOYSA-N,2,1,0.746,57,13,466.303,5.878,5,0.324,0.86,1.0,0.9619114522650949,0.9725258721129464,0.9689620313892126,0.9798762936056473,0.9708189123432253
EOS-2-23153,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1ccc(Cl)cc1,NTUDOBVCLGGOHX-UHFFFAOYSA-N,2,1,0.632,57,798,466.303,5.878,5,0.303,0.79,1.0,0.9714293057364128,0.9656037968610788,0.9696730861489959,0.980167569049414,0.9717184394489754
EOS-2-23154,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)c5)cc4)n23)ccc1Cl,NDLGBQPZCHWAIO-UHFFFAOYSA-N,2,1,0.632,57,326,466.303,5.878,5,0.303,0.79,1.0,0.9809043245836474,0.9854190939620314,0.9749674456856967,0.982309300253581,0.9809000411212392
EOS-2-23155,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1Cl,QCHQOKLIWZAIPN-UHFFFAOYSA-N,2,1,0.757,57,962,466.303,5.878,5,0.303,0.84,1.0,0.987338085120965,0.9783171132890138,0.97539579192653,0.9820094578849976,0.9807651120553766
EOS-2-23156,Brc1cc(COc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)cs1,AXWBRZHPULBEGE-UHFFFAOYSA-N,2,1,0.5,55,540,466.324,4.046,5,0.386,0.69,1.0,0.6165444452059489,0.5761685285449935,0.43004249194709065,0.39610033582345283,0.5047139503803715
EOS-2-23157,Brc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnsc5)c4)n23)n1,SJMWSZSWAAKVGR-UHFFFAOYSA-N,2,1,0.549,75,183,466.324,4.046,5,0.361,0.66,1.0,0.41040710026728805,0.46205708998697825,0.3978051538619697,0.3805342334315674,0.4127008943869508
EOS-2-23158,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,SGIBIHOUHKAQCD-UHFFFAOYSA-N,2,1,0.778,91,781,466.332,4.515,5,0.366,0.83,1.0,0.8615670618874649,0.7916009869097389,0.7158179699814955,0.7578730039065177,0.7817147556713042
EOS-2-23159,Fc1cc(Br)ccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,DMIHQPSSOYKSIG-UHFFFAOYSA-N,2,1,0.742,23,17,433.668,4.925,4,0.458,0.85,1.0,0.9945514358165993,0.9956822698923994,0.9675399218696457,0.9788825303269139,0.9841640394763896
EOS-2-23160,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(Cl)c4)n23)cc1,SHAXINJPEWNVBI-UHFFFAOYSA-N,2,1,0.541,26,669,466.332,4.515,5,0.343,0.68,1.0,0.9015489000068535,0.8038945240216572,0.7516362826399835,0.7657374408882187,0.8057042868891782
EOS-2-23161,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)cc1-c1cccnc1,DCUGWRDQWXGPNR-UHFFFAOYSA-N,2,1,0.495,95,998,466.332,4.515,5,0.366,0.75,1.0,0.45870742238366113,0.46206565691179496,0.6514974984579536,0.7398310602426154,0.5780254094990063
EOS-2-23162,Cc1cccc(-c2nn(C)c(Cl)c2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,GRJJRVASPDHFQY-UHFFFAOYSA-N,2,1,0.578,43,32,466.332,4.781,5,0.371,0.66,1.0,0.5710198067301762,0.7785449934891372,0.46613494619971213,0.581831265848811,0.5993827530669591
EOS-2-23163,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cn2)cn1,CDVWFQDJARCBJG-UHFFFAOYSA-N,2,1,0.704,84,360,466.332,4.515,5,0.366,0.79,1.0,0.7570420121993009,0.7701665410184361,0.7815091494757042,0.7939054896854225,0.7756557980947159
EOS-2-23164,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1Cl,LAJLITAAEUDTOK-UHFFFAOYSA-N,2,1,0.581,26,669,466.332,4.515,5,0.343,0.71,1.0,0.8238468919196765,0.7701751079432527,0.7653604961962854,0.7868977451853882,0.7865700603111507
EOS-2-23165,Cn1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c(-c2ccc(Cl)cc2)n1,UTJSYNOYAIBLRG-UHFFFAOYSA-N,2,1,0.598,37,669,466.332,4.515,5,0.343,0.74,1.0,0.6165530121307655,0.6580597628675211,0.6219073401411829,0.7131022548146118,0.6524055924885204
EOS-2-23166,Cn1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccc(Cl)nc1,QSDFAJKTVGTVML-UHFFFAOYSA-N,2,1,0.5,35,578,466.332,4.515,5,0.343,0.63,1.0,0.7180539373586458,0.7163919539442122,0.7606658213967514,0.7845932424097046,0.7449262387773286
EOS-2-23167,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)nc1Cl,YCQGTRWMNOFJRG-UHFFFAOYSA-N,2,1,0.581,19,442,466.332,4.515,5,0.343,0.74,1.0,0.6787660201494071,0.6288893838667672,0.5521811390583237,0.647411075320403,0.6268119045987253
EOS-2-23168,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cc(Cl)c5)n34)nc2)cn1,YHRVPSOHHWDCIR-UHFFFAOYSA-N,2,1,0.512,84,752,466.332,4.515,5,0.366,0.78,1.0,0.5414810499623055,0.52488691659242,0.7491604413679666,0.7802155438283873,0.6489359879377699
EOS-2-23169,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)c2)cn1,QNTKXFGEHXMAKY-UHFFFAOYSA-N,2,1,0.671,84,884,466.332,4.515,5,0.366,0.77,1.0,0.6276471797683504,0.6006870673702968,0.8239325611678432,0.8337074223836611,0.7214935576725379
EOS-2-23170,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)nc2)cn1,SFKNYWGXGFUSGH-UHFFFAOYSA-N,2,1,0.61,84,308,466.332,4.515,5,0.366,0.87,1.0,0.7026677403879104,0.5866972791446782,0.7815177164005209,0.7962442601603729,0.7167817490233706
EOS-2-23171,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2Cl)cnc1Cl,CRHJBFAUPLRDBV-UHFFFAOYSA-N,2,1,0.61,35,393,466.332,4.515,5,0.366,0.64,1.0,0.7717257213350696,0.7659430470838188,0.7238194777602632,0.7500942361729833,0.7528956205880337
EOS-2-23172,Cn1ncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1-c1ccc(Cl)cc1,JGVASYSNWXRFEY-UHFFFAOYSA-N,2,1,0.602,37,626,466.332,4.515,5,0.343,0.72,1.0,0.5966691796312795,0.6629429100130217,0.6459461311767528,0.7371753135494483,0.6606833835926256
EOS-2-23173,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)c4)n23)cc1,ZQLRJDSWWRXQHX-UHFFFAOYSA-N,2,1,0.653,91,781,466.332,4.515,5,0.366,0.77,1.0,0.7484750873826331,0.7530241244602838,0.6790915632924406,0.737183880474265,0.7294436639024056
EOS-2-23174,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccc(Cl)cc1,JPEKYVMLMYHBRC-UHFFFAOYSA-N,2,1,0.547,95,266,466.332,4.515,5,0.343,0.76,1.0,0.5653656363511754,0.5960523610444795,0.6365310808032348,0.7288482626276471,0.6316993352066342
EOS-2-23175,Cc1cc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)c5)nn4C)n23)ccc1Cl,NZYGXNOUDDXCOQ-UHFFFAOYSA-N,2,1,0.511,43,521,466.332,4.781,5,0.371,0.79,0.999,0.49059351655129874,0.7301590021245974,0.4903450757316154,0.6327187992598177,0.5859540984168323
EOS-2-23176,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1Cl,JVKQWWOBGAKADX-UHFFFAOYSA-N,2,1,0.575,26,626,466.332,4.515,5,0.343,0.67,1.0,0.8502672880542801,0.7701836748680694,0.77452710575012,0.7984630936878898,0.7983602905900898
EOS-2-23177,Cc1nc(-c2ccnc(Cl)c2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C,DZKIDVNXENMXCE-UHFFFAOYSA-N,2,1,0.529,4,32,466.332,4.781,5,0.347,0.66,1.0,0.7744328695771366,0.8342128709478446,0.5149407168802687,0.6123809197450483,0.6839918442875745
EOS-2-23178,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nn2C)ccc1Cl,VZOQNUCQWUVVAJ-UHFFFAOYSA-N,2,1,0.462,95,965,466.332,4.781,5,0.371,0.74,0.998,0.2704920841614694,0.39879891714070315,0.6926872729764924,0.7501028030978,0.5280202693441162
EOS-2-23179,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cccc(Cl)c1,VZWCWPAGYUUJLH-UHFFFAOYSA-N,2,1,0.538,95,266,466.332,4.515,5,0.343,0.79,1.0,0.48069015146323074,0.49284661777808236,0.6219159070659996,0.7211294633678295,0.5791455349187855
EOS-2-23180,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)cn2)cn1,JGGPLOJKZXOIFF-UHFFFAOYSA-N,2,1,0.56,84,73,466.332,4.515,5,0.366,0.75,1.0,0.6052532382975807,0.7254985950243301,0.7581214447262011,0.7869063121102049,0.7189448975395792
EOS-2-23181,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)cc(Cl)n5)n34)c2)c1,OSXKMTFSOQLSOV-UHFFFAOYSA-N,2,1,0.484,15,561,466.332,4.515,5,0.343,0.65,1.0,0.7149869782742787,0.7164005208690288,0.6365396477280515,0.685165512987458,0.6882731649647043
EOS-2-23182,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccc(Cl)cc1,LESKGOBRHOCGDA-UHFFFAOYSA-N,2,1,0.523,95,835,466.332,4.515,5,0.366,0.79,1.0,0.5494568569666233,0.5384226578027551,0.6219244739908163,0.7288568295524639,0.6096652045781646
EOS-2-23183,Cc1c(-c2cc(-c3nnc4cncc(OCc5c(Cl)cccc5Cl)n34)ccn2)cnn1C,ZQAULOFLTCCDJU-UHFFFAOYSA-N,2,1,0.489,16,332,466.332,4.781,5,0.371,0.73,1.0,0.4194366390240559,0.47495031183606334,0.6980244671372764,0.7317781509149476,0.5810473922280858
EOS-2-23184,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(Cl)c1,OQRWQANPBCOZKK-UHFFFAOYSA-N,2,1,0.5,26,589,466.332,4.515,5,0.366,0.69,1.0,0.7089044616544445,0.7071825097662943,0.7031217874031938,0.7578815708313343,0.7192725824138168
EOS-2-23185,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)cc1,WHMJRTRXGGLQIP-UHFFFAOYSA-N,2,1,0.625,91,475,466.332,4.515,5,0.366,0.62,1.0,0.7333458981563977,0.8155455417723254,0.7491690082927832,0.8005962579672401,0.7746641765471866
EOS-2-23186,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cn2)n1,NARQQBATFYMAPB-UHFFFAOYSA-N,2,1,0.704,84,360,466.332,4.515,5,0.366,0.74,1.0,0.80010794325269,0.8039030909464738,0.7213779041875128,0.7475669933520663,0.7682389829346857
EOS-2-23187,Fc1ccc(Cl)c(COc2cncc3nnc(-c4ccc(Br)cc4)n23)c1,ULGPOFCLGIDMEE-UHFFFAOYSA-N,2,1,0.742,23,17,433.668,4.925,4,0.458,0.83,1.0,0.9938232472071825,0.9915530121307655,0.9668545678843122,0.9785398533342471,0.9826926701391268
EOS-2-23188,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1Cl,JDRSWGNVSFUNDD-UHFFFAOYSA-N,2,1,0.545,26,563,466.332,4.515,5,0.366,0.64,1.0,0.7887567678706051,0.7396682886710986,0.7131793571379618,0.755182989514084,0.7491968507984373
EOS-2-23189,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1cccc(Cl)c1,ZIOOEQZRLCQXGM-UHFFFAOYSA-N,2,1,0.544,95,266,466.332,4.515,5,0.343,0.81,1.0,0.4857275032554314,0.4928551847028991,0.610016448495648,0.710309437324378,0.5747271434445891
EOS-2-23190,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)c2)n1,HBPYXXKLDNWIPL-UHFFFAOYSA-N,2,1,0.541,84,749,466.332,4.515,5,0.366,0.6,1.0,0.5966777465560962,0.5867058460694949,0.7213864711123296,0.7705691864848194,0.6688348125556851
EOS-2-23191,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2Cl)n1,VXQBOQPTWFMZLP-UHFFFAOYSA-N,2,1,0.533,37,589,466.332,4.515,5,0.366,0.63,1.0,0.660201494071688,0.7612912069083682,0.6764786512233568,0.7345195668562813,0.7081227297649235
EOS-2-23192,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(Cl)c2)n1,SBIGYGQJCXPYRI-UHFFFAOYSA-N,2,1,0.565,37,619,466.332,4.515,5,0.366,0.75,1.0,0.7180625042834624,0.7396768555959153,0.7131879240627784,0.7578901377561511,0.7322043554245768
EOS-2-23193,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c(Cl)n2)c1,GBCYBDTUSHTAIF-UHFFFAOYSA-N,2,1,0.646,58,276,466.332,4.515,5,0.343,0.63,1.0,0.8107480638749914,0.8115276540333082,0.6247601261051333,0.6963710506476595,0.7358517236652731
EOS-2-23194,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4Cl)n23)cn1,JAYUPEWZWVLHSJ-UHFFFAOYSA-N,2,1,0.494,59,109,466.332,4.781,5,0.371,0.74,1.0,0.47068398327736277,0.5619217325748749,0.7186193543965458,0.7449026797340826,0.6240319374957165
EOS-2-23195,Cn1c(Cl)ccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1,MQFIYRQPKUZZSP-UHFFFAOYSA-N,2,1,0.511,72,482,466.332,4.515,5,0.366,0.69,1.0,0.8212425467754095,0.8572493317798643,0.6487560825166199,0.7131108217394284,0.7600896957028306
EOS-2-23196,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2Cl)n1,KCFMRDBBSFYZHC-UHFFFAOYSA-N,2,1,0.588,37,669,466.332,4.515,5,0.343,0.68,1.0,0.7333544650812145,0.7916095538345556,0.7263295867315468,0.7551915564389007,0.7516212905215544
EOS-2-23197,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1Cl,GZLRCXXGVYGGGX-UHFFFAOYSA-N,2,1,0.511,26,639,466.332,4.515,5,0.343,0.74,1.0,0.7915495853608389,0.739685422520732,0.6843002535809746,0.7317867178397642,0.7368304948255774
EOS-2-23198,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)cn1,SBEFWTVICPHJNB-UHFFFAOYSA-N,2,1,0.543,84,672,466.332,4.515,5,0.366,0.78,1.0,0.7887653347954219,0.757324720718251,0.7315382770200809,0.7728394215612364,0.7626169385237475
EOS-2-23199,CCn1ccnc1-c1cccnc1-c1nnc2cncc(OCc3cc(Cl)ccc3Cl)n12,BFFPPSVEONVYOD-UHFFFAOYSA-N,2,1,0.417,46,109,466.332,4.956,5,0.352,0.68,0.99,0.4881862106778151,0.4706240148036461,0.5586148995956411,0.6529453087519704,0.5425926084572682
EOS-2-23200,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5Cl)n34)c2)n1,CXTQYVKVCVLMRN-UHFFFAOYSA-N,2,1,0.552,84,73,466.332,4.515,5,0.366,0.64,1.0,0.5494654238914399,0.5867144129943116,0.7559368788979508,0.7869148790350216,0.669757898704681
EOS-2-23201,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)cn2)n1,FQEXBTZMANGZPK-UHFFFAOYSA-N,2,1,0.56,84,672,466.332,4.515,5,0.366,0.68,1.0,0.6634226578027551,0.7573332876430676,0.698033034062093,0.739839627167432,0.714657151668837
EOS-2-23202,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2Cl)n1,SHIXBXSLHGPWMH-UHFFFAOYSA-N,2,1,0.553,37,619,466.332,4.515,5,0.366,0.68,1.0,0.7774741278870536,0.8445188815022959,0.7263381536563636,0.7753066959084367,0.7809094647385374
EOS-2-23203,Fc1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1Br,TYLCMSDIZQJYIX-UHFFFAOYSA-N,2,1,0.746,23,17,433.668,4.925,4,0.458,0.78,1.0,0.9971557809608663,0.9955537660201494,0.9647042697553286,0.9757384689191968,0.9832880714138852
EOS-2-23204,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1ccc(Cl)cc1,ZQOLZJZFHHFZPI-UHFFFAOYSA-N,2,1,0.553,95,266,466.332,4.515,5,0.343,0.74,1.0,0.5763055993420602,0.6006956342951134,0.62476869302995,0.7157237338085121,0.629373415118909
EOS-2-23205,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2Cl)cn1,PNADNBOBGUYWCP-UHFFFAOYSA-N,2,1,0.571,35,619,466.332,4.515,5,0.366,0.67,1.0,0.7059231718182442,0.7486378589541498,0.7792731820985539,0.8091460489342746,0.7607450654513056
EOS-2-23206,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccc2Cl)n1,SYXZHTHVFHCIPH-UHFFFAOYSA-N,2,1,0.527,37,589,466.332,4.515,5,0.366,0.69,1.0,0.6757247618394902,0.8410578438763622,0.6791001302172572,0.742546775409499,0.7346073778356521
EOS-2-23207,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccc2Cl)n1,POLDWLRZRNPIGC-UHFFFAOYSA-N,2,1,0.5,37,639,466.332,4.515,5,0.343,0.68,1.0,0.6934754300596258,0.8342214378726612,0.6459546981015695,0.704535329997944,0.7195467240079502
EOS-2-23208,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)c2)n1,RMKCWABXRDTSIX-UHFFFAOYSA-N,2,1,0.663,84,360,466.332,4.515,5,0.366,0.65,1.0,0.6602100609965047,0.6431447467617024,0.772333972997053,0.7915153176615722,0.716801024604208
EOS-2-23209,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1Cl,WEISAVWBCRVAGN-UHFFFAOYSA-N,2,1,0.5,26,911,466.332,4.956,5,0.352,0.66,1.0,0.6846943321225413,0.7024621341923103,0.7745356726749366,0.8006048248920568,0.7405742409704612
EOS-2-23210,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(Cl)c(Cl)c1,CNLRGYVCSZGVNC-UHFFFAOYSA-N,2,1,0.54,95,998,466.332,4.515,5,0.366,0.81,1.0,0.5056199026797341,0.49286375162771573,0.6542474813241039,0.7317952847645809,0.5961316050990336
EOS-2-23211,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c(Cl)c1,VUJMSSZXOFTFEK-UHFFFAOYSA-N,2,1,0.57,26,669,466.332,4.515,5,0.343,0.72,1.0,0.7717342882598862,0.7442601603728326,0.7516448495648003,0.7777140017819204,0.7613383249948599
EOS-2-23212,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1-c1cncc(Cl)c1,ORQALNJFFDJDTL-UHFFFAOYSA-N,2,1,0.557,95,998,466.332,4.515,5,0.366,0.81,1.0,0.4857360701802481,0.41299431156192173,0.6303457610856007,0.7371924473990816,0.5665671475567131
EOS-2-23213,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4Cl)n23)nc1,ASFVGTGWTYFKJL-UHFFFAOYSA-N,2,1,0.489,84,1,466.332,4.515,5,0.366,0.67,1.0,0.6816959084367076,0.5914347885682956,0.7418871221986156,0.7777225687067371,0.698185096977589
EOS-2-23214,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(Cl)ccc4Cl)n23)c1,ZYSJKCBWWIECLC-UHFFFAOYSA-N,2,1,0.406,46,1,466.332,4.956,5,0.352,0.7,1.0,0.4170550339250223,0.42645295044890685,0.7468473716674663,0.7802241107532041,0.5926448666986499
EOS-2-23215,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cc2)n[nH]1,NALNOMLUTHFQRN-UHFFFAOYSA-N,2,1,0.747,91,781,466.332,4.813,5,0.386,0.72,1.0,0.9385408813652252,0.8934103214310192,0.7186279213213624,0.7501113700226166,0.8251726235350558
EOS-2-23216,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)ccn2)c(C)n1,GNSRWGYZAODVFO-UHFFFAOYSA-N,2,1,0.467,13,110,466.332,5.477,5,0.341,0.73,1.0,0.34267699266671237,0.4486669864985265,0.6159790281680488,0.6615722020423549,0.5172238023439106
EOS-2-23217,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cc2)nn1,GIMMTCSUZODULQ-UHFFFAOYSA-N,2,1,0.747,91,781,466.332,4.515,5,0.366,0.8,1.0,0.7802326776780207,0.8307261325474607,0.7606743883215681,0.7962528270851895,0.7919715064080598
EOS-2-23218,Cn1cncc1-c1ccc(Cl)c(-c2nnc3cncc(OCCc4cccnc4Cl)n23)c1,RPGWODNJIZYHKZ-UHFFFAOYSA-N,2,1,0.539,26,125,466.332,4.515,5,0.343,0.68,1.0,0.7631587965184018,0.8078096086628743,0.7213950380371462,0.7680933452128024,0.7651141971078061
EOS-2-23219,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nn2C)ccc1Cl,ISPNDUAWGWCXHR-UHFFFAOYSA-N,2,1,0.435,95,998,466.332,4.781,5,0.371,0.8,1.0,0.3725584264272497,0.37977177712288396,0.7290024672743473,0.7777311356315537,0.5647659516140087
EOS-2-23220,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)cn2)c1,GYTRIRHKFPRPOP-UHFFFAOYSA-N,2,1,0.56,84,276,466.332,4.515,5,0.366,0.72,1.0,0.7887739017202385,0.8410664108011788,0.7158265369063121,0.7552001233637173,0.7752167431978617
EOS-2-23221,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c(Cl)c1,RONPPJVSFODHHF-UHFFFAOYSA-N,2,1,0.452,26,55,466.332,4.956,5,0.329,0.65,1.0,0.5966863134809129,0.6241261736686999,0.7723425399218696,0.7846018093345213,0.694439209101501
EOS-2-23222,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)nc1,NEXXUPWOEGXSBW-UHFFFAOYSA-N,2,1,0.595,84,308,466.332,4.515,5,0.366,0.85,1.0,0.8055393735864574,0.619817010485916,0.7606829552463847,0.7822973065588377,0.7420841614693989
EOS-2-23223,Cc1cc(Cl)c(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ccn(C)n1,WJLGECAKFWDLSX-UHFFFAOYSA-N,2,1,0.5,4,10,466.332,4.781,5,0.371,0.65,1.0,0.4218182441230896,0.615173737235282,0.7263467205811802,0.7398481940922487,0.6257967240079502
EOS-2-23224,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccc(Cl)cc1,QBEUIPUASGMTHB-UHFFFAOYSA-N,2,1,0.473,95,266,466.332,4.515,5,0.366,0.75,0.998,0.48574463710506477,0.5384312247275718,0.5687324378041259,0.6937238708793092,0.5716580426290179
EOS-2-23225,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1Cl,HTBDOQIHAUWRKD-UHFFFAOYSA-N,2,1,0.59,37,669,466.332,4.515,5,0.343,0.75,1.0,0.8745459529847166,0.8907802755123021,0.6791086971420739,0.7236395723391131,0.7920186244945515
EOS-2-23226,Cn1cc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,VDDRULRCWXWVBI-UHFFFAOYSA-N,2,1,0.583,37,669,466.332,4.515,5,0.343,0.8,1.0,0.7089130285792612,0.770192241792886,0.7723511068466863,0.7915238845863889,0.7607450654513056
EOS-2-23227,Cn1ncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1-c1ccc(Cl)cc1,QQXVPGSHIOIPHI-UHFFFAOYSA-N,2,1,0.578,37,619,466.332,4.515,5,0.366,0.75,1.0,0.5763141662668768,0.6288979507915838,0.6275101089712837,0.7372010143238983,0.6424808100884106
EOS-2-23228,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cn2)c1,JTIUXMBEKUXSPO-UHFFFAOYSA-N,2,1,0.541,84,749,466.332,4.515,5,0.366,0.7,1.0,0.8185268316085258,0.8270937564251936,0.6843088205057912,0.7398567610170653,0.767446542389144
EOS-2-23229,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5Cl)n34)cn2)c1,XGSXKSPFBPGBTA-UHFFFAOYSA-N,2,1,0.538,84,672,466.332,4.515,5,0.366,0.75,1.0,0.8212511137002262,0.8511239805359468,0.7158351038311288,0.7578987046809678,0.7865272256870675
EOS-2-23230,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ccc(Cl)cc1,WBSDQFRFTIROOU-UHFFFAOYSA-N,2,1,0.467,95,266,466.332,4.515,5,0.343,0.75,1.0,0.5130731272702351,0.5430830649030224,0.5317661572202043,0.6529538756767871,0.5602190562675622
EOS-2-23231,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4Cl)n23)cc1,ZBOFQGFKFYWZMU-UHFFFAOYSA-N,2,1,0.561,43,520,466.332,4.956,5,0.352,0.67,1.0,0.7887824686450552,0.7612997738331848,0.6953258858200261,0.7657460078130355,0.7527885340278254
EOS-2-23232,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccc(Cl)cc1,GTOSEEKLGNXBPE-UHFFFAOYSA-N,2,1,0.478,95,266,466.332,4.515,5,0.366,0.71,0.999,0.5155318346926188,0.552455280652457,0.5654427386745254,0.6822784593242409,0.5789270783359606
EOS-2-23233,CCOc1ccc(Cl)c(-c2nnc3cncc(-c4cc(-c5cn(C)nn5)ccc4Cl)n23)c1,MQFRVJJEEFYIAZ-UHFFFAOYSA-N,2,1,0.337,22,252,466.332,4.959,5,0.364,0.75,0.999,0.20811630457131108,0.43989445548625866,0.7723596737715029,0.8048625865259407,0.5563082550887534
EOS-2-23234,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,KDMJTBIZGGHJHS-UHFFFAOYSA-N,2,1,0.789,91,781,466.332,4.515,5,0.366,0.76,1.0,0.9078969912960044,0.8719930093893496,0.7238280446850799,0.7705777534096361,0.8185739496950175
EOS-2-23235,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5Cl)n34)cc2)n1,NHNASRFHOAVMBL-UHFFFAOYSA-N,2,1,0.608,91,70,466.332,4.515,5,0.366,0.73,1.0,0.7944195051744226,0.8445274484271126,0.692695839901309,0.7425553423343156,0.76854953395929
EOS-2-23236,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)c1,UGUMQFOKEYRSMF-UHFFFAOYSA-N,2,1,0.467,26,980,466.332,4.956,5,0.352,0.68,1.0,0.5338564868754712,0.502193132753067,0.7391114385580152,0.7705863203344527,0.6364368446302515
EOS-2-23237,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)ccn1,VLMIOWXOCOKHCF-UHFFFAOYSA-N,2,1,0.619,75,276,466.332,4.515,5,0.366,0.67,1.0,0.6419368103625522,0.6007042012199301,0.7418956891234323,0.7753152628332534,0.689962990884792
EOS-2-23238,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)nc1Cl,HJTDNHDRFRZVQR-UHFFFAOYSA-N,2,1,0.575,19,442,466.332,4.515,5,0.343,0.68,1.0,0.6568432595435543,0.6151823041600987,0.6627373038174217,0.7318038516893975,0.666641679802618
EOS-2-23239,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)c2)n1C,JRKDIIGWCXUGGY-UHFFFAOYSA-N,2,1,0.548,16,772,466.332,4.781,5,0.371,0.72,1.0,0.7361901171955315,0.787189020629155,0.7653690631211021,0.7657545747378521,0.7636256939209103
EOS-2-23240,Cn1cnc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)c1,TZQVDJDEKOMGBD-UHFFFAOYSA-N,2,1,0.57,37,626,466.332,4.515,5,0.343,0.67,1.0,0.8055479405112741,0.8572578987046809,0.741904256048249,0.7705948872592694,0.7938262456308685
EOS-2-23241,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)c1,JTVFLMXUMNBEJW-UHFFFAOYSA-N,2,1,0.435,2,328,466.332,4.956,5,0.352,0.69,1.0,0.5312350078815709,0.5022016996778836,0.7677421012953191,0.8006133918168734,0.6504480501679117
EOS-2-23242,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cccc(OC(F)(F)F)c4)n23)cc1,XFRCUTQSCPIWMO-UHFFFAOYSA-N,2,1,0.889,48,40,466.366,4.913,4,0.344,0.82,1.0,0.9991347405935166,0.9981666780892331,0.9964361592762662,0.9900623672126654,0.9959499862929202
EOS-2-23244,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1,KOQQBOHJKNLIEI-UHFFFAOYSA-N,2,1,0.584,51,969,466.383,3.516,5,0.371,0.79,1.0,0.9220581180179562,0.9002124597354534,0.9039904735796038,0.8048711534507573,0.8827830511959427
EOS-2-23245,Fc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1cnccn1,PZQCJUAXPRBYDX-UHFFFAOYSA-N,2,1,0.605,51,540,466.383,3.358,5,0.356,0.67,1.0,0.9468936330614762,0.9530275512302104,0.6791172640668905,0.6327273661846343,0.8029414536358029
EOS-2-23246,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(OC(F)F)n5)n34)nc2)cn1,BWUDFWMEMOOQIP-UHFFFAOYSA-N,2,1,0.423,46,959,466.383,3.358,5,0.333,0.62,1.0,0.6052618052223974,0.6875385511616751,0.7186364882461792,0.6267819203618669,0.6595546912480297
EOS-2-23247,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(C(F)(F)F)c5)n34)cn2)cc1,LBXYWKRSYYRPET-UHFFFAOYSA-N,2,1,0.524,97,801,466.398,4.985,5,0.34,0.81,1.0,0.8914998971969021,0.8958518950037695,0.9893427455280652,0.9777945308751971,0.9386222671509835
EOS-2-23248,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)c2)cn1,MRICUGYOKRKDMA-UHFFFAOYSA-N,2,1,0.494,97,91,466.398,5.043,5,0.258,0.65,1.0,0.922066684942773,0.9373500788157083,0.9814611746967309,0.9724230690151463,0.9533252518675897
EOS-2-23249,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cc2)ccn1,SLAWWIQERAGBKL-UHFFFAOYSA-N,2,1,0.571,1,676,466.398,4.985,5,0.268,0.81,1.0,0.9343687889795079,0.9359365362209581,0.9874494551435816,0.9648070728531286,0.9556404632992941
EOS-2-23250,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5F)c4)n23)cn1,DSINEDIZFLXGEJ-UHFFFAOYSA-N,2,1,0.543,88,884,466.398,4.426,5,0.209,0.63,1.0,0.9110667534781715,0.92461962853814,0.960232335001028,0.952470701117127,0.9370973545336165
EOS-2-23251,Fc1ccc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)cc1-c1cncnc1,SGFVSENRTVPNNJ-UHFFFAOYSA-N,2,1,0.56,88,494,466.398,4.426,5,0.272,0.65,1.0,0.9744619971215133,0.972534439037763,0.9664861901171955,0.9631193886642451,0.9691505037351792
EOS-2-23252,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cc2F)cn1,BVQDMWQEKPPARD-UHFFFAOYSA-N,2,1,0.612,88,222,466.398,4.426,5,0.272,0.68,1.0,0.9793280104173806,0.9763295867315468,0.9514940716880269,0.9472020423548763,0.9635884277979577
EOS-2-23253,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)cc1F,MCBLQBCDIKQAPD-UHFFFAOYSA-N,2,1,0.517,88,570,466.398,4.426,5,0.345,0.67,1.0,0.8745545199095333,0.8605732986087314,0.9560431087656774,0.9601380988280447,0.9128272565279967
EOS-2-23254,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ncc2F)cn1,MNQJCZDQHXCLRS-UHFFFAOYSA-N,2,1,0.489,1,676,466.398,5.043,5,0.258,0.68,1.0,0.9032451511205538,0.9312247275717909,0.977743129326297,0.9667860324857789,0.9447497601261051
EOS-2-23255,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)nc1,VXSUUIFFZAPKDM-UHFFFAOYSA-N,2,1,0.59,1,138,466.398,4.985,5,0.34,0.76,1.0,0.9749246110616133,0.9388150229593585,0.9860359125488315,0.9662891508464122,0.9665161743540538
EOS-2-23256,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccccc5OC(F)(F)F)n34)cc2F)cn1,GRDHNNHGXRBLIQ-UHFFFAOYSA-N,2,1,0.381,96,121,466.398,5.261,5,0.336,0.8,1.0,0.6568518264683709,0.8445360153519292,0.9860444794736481,0.9687906928928792,0.8640557535467069
EOS-2-23257,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(C(F)(F)F)nc5)nc4)n23)cc1,VWPWWTODOUBEHW-UHFFFAOYSA-N,2,1,0.612,1,676,466.398,4.985,5,0.34,0.83,1.0,0.9720803920224796,0.9530361181550271,0.9838599136453978,0.9564457542320609,0.9663555445137414
EOS-2-23258,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(C(F)(F)F)nc5)cc4)n23)nc1,CCKYPSVRMQDYKT-UHFFFAOYSA-N,2,1,0.575,1,676,466.398,4.985,5,0.34,0.75,1.0,0.8933760537317524,0.9359451031457748,0.9828832842162977,0.9551178808854773,0.9418305804948256
EOS-2-23259,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5c(F)ccc(F)c5F)ccn4)n23)c1,UQUPHOBBYIJDLH-UHFFFAOYSA-N,2,1,0.438,88,503,466.398,4.426,5,0.272,0.6,1.0,0.7915581522856555,0.7486464258789665,0.9286203824275238,0.9314560345418409,0.8500702487834967
EOS-2-23260,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)ccc1C(F)(F)F,XCWGSJHJKLMZTA-UHFFFAOYSA-N,2,1,0.58,43,138,466.398,4.985,5,0.34,0.75,1.0,0.967634158042629,0.9577393598793777,0.9906106504009321,0.9761582482352135,0.973035604139538
EOS-2-23261,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)ccn2)cn1,QTRHRPWBORGUFP-UHFFFAOYSA-N,2,1,0.518,1,676,466.398,4.985,5,0.268,0.79,1.0,0.9732968953464465,0.9388235898841751,0.9906192173257488,0.9765266260023302,0.9698165821396751
EOS-2-23262,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ncc2F)n1,YXCDPMSJMHGNPP-UHFFFAOYSA-N,2,1,0.489,1,676,466.398,5.043,5,0.258,0.66,0.999,0.9469021999862929,0.9400829278322254,0.9679854019601124,0.9544153930505106,0.9523464807072852
EOS-2-23263,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nc1-c1cccnc1,MLMMYJNYOMFXQS-UHFFFAOYSA-N,2,1,0.547,1,676,466.398,4.985,5,0.34,0.77,1.0,0.9032537180453705,0.9388321568089918,0.984579535329998,0.9648156397779453,0.9478702624905764
EOS-2-23264,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cn5)n34)cn2)cc1,SFYDJFBMTANLCF-UHFFFAOYSA-N,2,1,0.517,1,801,466.398,4.985,5,0.34,0.81,1.0,0.7453738605989993,0.8958604619285861,0.9869440065793983,0.9720889589472963,0.9000668220135699
EOS-2-23265,Fc1cc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)ccc1-c1cncnc1,QWCFKAVGHHPGEA-UHFFFAOYSA-N,2,1,0.59,88,222,466.398,4.426,5,0.272,0.6,1.0,0.9710523610444795,0.969981495442396,0.965106915221712,0.9612346652045781,0.9668438592282914
EOS-2-23266,Fc1cccc(-c2nnc3cncc(OCc4cc(-c5ccc(C(F)(F)F)nc5)ccn4)n23)c1,AAUHVFXNYHMHHO-UHFFFAOYSA-N,2,1,0.638,1,679,466.398,4.985,5,0.34,0.77,1.0,0.6965166883695428,0.8747172914810499,0.9823778356521143,0.9564543211568776,0.8775165341648962
EOS-2-23267,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nc2)cn1,GYZVDYPBPPGLTK-UHFFFAOYSA-N,2,1,0.566,1,676,466.398,4.985,5,0.268,0.72,1.0,0.8985419093962032,0.9228291412514564,0.9902165718593654,0.9757470358440135,0.9468336645877595
EOS-2-23268,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)cn1,YLJPZNDCCTVPSY-UHFFFAOYSA-N,2,1,0.554,1,676,466.398,4.985,5,0.268,0.76,1.0,0.9737423754369131,0.9228377081762731,0.9902251387841821,0.97452196559523,0.9653317969981496
EOS-2-23269,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ncc(C(F)(F)F)cn5)n34)cc2)c1,XWHPRWGPEQSFKM-UHFFFAOYSA-N,2,1,0.524,1,679,466.398,4.985,5,0.34,0.79,1.0,0.9140137756151052,0.9415992735247756,0.9814697416215475,0.9682424097046124,0.9513313001165102
EOS-2-23270,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)c1,MDRAGKLCAPBASK-UHFFFAOYSA-N,2,1,0.549,1,679,466.398,4.985,5,0.34,0.84,1.0,0.9248423685833733,0.9312332944966075,0.9814783085463642,0.955126447810294,0.9481701048591598
EOS-2-23271,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)c(F)n4)n23)c1,BLWKIAHVRGBNNG-UHFFFAOYSA-N,2,1,0.448,88,490,466.398,4.426,5,0.272,0.71,0.997,0.9235144952367899,0.8907888424371188,0.9214584332807896,0.9262644781029402,0.9155065622644096
EOS-2-23272,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)nn1,BHIBLJLLEFCUPE-UHFFFAOYSA-N,2,1,0.561,1,138,466.398,4.985,5,0.34,0.73,1.0,0.9763552875059969,0.9443321225412926,0.9888544308135152,0.9745305325200466,0.9710180933452128
EOS-2-23273,Cc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)c(F)c1F,WTLIKTRHTFKWNF-UHFFFAOYSA-N,2,1,0.541,59,469,466.398,4.692,5,0.35,0.62,1.0,0.8001165101775067,0.848125556850113,0.9541241176067439,0.9356795284764581,0.8845114282777055
EOS-2-23274,Fc1cnc(COc2cncc3nnc(-c4ccccc4)n23)nc1-c1ccc(C(F)(F)F)cc1,UCXOBEJQWYUAAU-UHFFFAOYSA-N,2,1,0.549,1,679,466.398,4.985,5,0.34,0.7,1.0,0.9444349256390926,0.9476303885957097,0.9689705983140292,0.9439808786238092,0.9512541977931601
EOS-2-23275,Fc1cc(-c2nnc3cncc(OCc4cnccc4-c4ccccn4)n23)ccc1C(F)(F)F,NLXQGUSGFVDSEP-UHFFFAOYSA-N,2,1,0.489,97,676,466.398,4.985,5,0.34,0.64,1.0,0.9518281817558769,0.9312418614214242,0.9876550613391817,0.968250976629429,0.959744020286478
EOS-2-23276,Fc1cc(-c2ccc(-c3nnc4cncc(Oc5cnc(-c6cncnn6)nn5)n34)nc2)ccn1,ZPQKAUUPXUPXMA-UHFFFAOYSA-N,2,1,0.324,6,502,466.4,2.217,6,0.342,0.56,1.0,0.6538705366321705,0.5339592899732712,0.16104961962853814,0.18362346652045783,0.3831257281886094
EOS-2-23277,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)no2)cc1,AEBGGZJDIDFFNU-UHFFFAOYSA-N,2,1,0.648,1,996,466.404,4.03,5,0.335,0.82,1.0,0.7831197313412378,0.7118943184154616,0.7290110341991639,0.5998903433623467,0.7059788568295525
EOS-2-23278,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cnccn6)nc5)n34)nc2)c(F)n1,ILZGJWBSYHBPFS-UHFFFAOYSA-N,2,1,0.308,86,459,466.415,3.441,6,0.36,0.63,1.0,0.3588770474950312,0.39390720307038585,0.5006339524364334,0.5130645603454184,0.4416206908368172
EOS-2-23279,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)nn5)n34)c(F)c2)cn1,XQKLGXFLNQLGIB-UHFFFAOYSA-N,2,1,0.333,94,106,466.415,3.441,6,0.36,0.68,0.997,0.2783308203687204,0.4573881159618943,0.5943047083818792,0.6502638612843533,0.4950718764992118
EOS-2-23280,Fc1cnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnc(F)cn6)cc5)n34)c2)nc1,FHHMRESXKXMLLF-UHFFFAOYSA-N,2,1,0.329,42,167,466.415,3.441,6,0.385,0.66,1.0,0.2921578370228223,0.3939157699952025,0.5041378246864505,0.5333082036872044,0.43087990884791993
EOS-2-23281,Oc1cc(-c2nnc3cncc(OCc4nc(-c5ncccn5)no4)n23)ccc1-c1ccncn1,SEJVRWDJZBRDNJ-UHFFFAOYSA-N,2,1,0.414,80,8,466.421,2.373,6,0.382,0.52,0.999,0.36334898224933176,0.3221506408059763,0.0743266397094099,0.06404632992940854,0.20596814817353162
EOS-2-23282,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)ccc1-c1cn[nH]c1,XGTZHBVASCRUFI-UHFFFAOYSA-N,2,1,0.525,88,313,466.423,4.229,5,0.361,0.55,1.0,0.942387430607909,0.8980964293057364,0.943004249194709,0.8984819409224865,0.9204925125077102
EOS-2-23283,COc1cc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)ccc1-c1cn[nH]c1,OAVAWLYEOVCJIB-UHFFFAOYSA-N,2,1,0.515,88,313,466.423,4.229,5,0.361,0.55,1.0,0.9511685285449935,0.9051127407305873,0.9332807895277911,0.8915255979713522,0.920271914193681
EOS-2-23284,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)cc2)n1,WVGDPRKXRBSSTG-UHFFFAOYSA-N,2,1,0.56,1,431,466.423,4.669,5,0.362,0.67,1.0,0.8158025495168254,0.7255071619491468,0.9659807415530122,0.9078198889726544,0.8537775854979097
EOS-2-23285,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)cc2)cn1,NDSSALYELAQUAR-UHFFFAOYSA-N,2,1,0.573,1,431,466.423,4.669,5,0.362,0.73,1.0,0.7484836543074498,0.7255157288739634,0.9742135563018299,0.9273096429305736,0.8438806456034542
EOS-2-23286,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cc4)n23)c1,MRXDRMSFUJUWHU-UHFFFAOYSA-N,2,1,0.56,1,713,466.423,4.669,5,0.362,0.77,1.0,0.7774826948118704,0.6678174902337057,0.9756956342951134,0.9338804742649579,0.8387190734014118
EOS-2-23287,CCn1nc(-c2ccc(F)cc2)cc1Oc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,VBJSYWOOLOZERR-UHFFFAOYSA-N,2,1,0.646,1,372,466.423,5.208,5,0.328,0.81,1.0,0.627655746693167,0.8659875950928655,0.8792406277842506,0.8506785004454801,0.8058906175039408
EOS-2-23288,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)cc2OC)cn1,XTBUKOQTMFQTTM-UHFFFAOYSA-N,2,1,0.478,13,209,466.423,4.893,5,0.332,0.6,1.0,0.5289904735796038,0.6483705708998698,0.9166609553834556,0.8416403947638955,0.7339155986567063
EOS-2-23289,COc1cc(F)cc(F)c1COc1cncc2nnc(-c3ccc(-c4ccn(C)n4)c(F)c3)n12,LKCJJKINSPOOOX-UHFFFAOYSA-N,2,1,0.494,43,607,466.423,4.197,5,0.373,0.62,1.0,0.6997292851757932,0.7659516140086354,0.9127972722911384,0.8540795695976973,0.808139435268316
EOS-2-23290,Cn1nc(-c2ccc(F)cc2)cc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,GJOFVXHZNUAKAM-UHFFFAOYSA-N,2,1,0.662,1,372,466.423,4.511,5,0.351,0.78,1.0,0.6787745870742239,0.885365979028168,0.9137653347954219,0.8833099170721678,0.8403039544924954
EOS-2-23291,Cn1cc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(-c2ccc(F)cc2)n1,GAGJJLYAOJUMPY-UHFFFAOYSA-N,2,1,0.718,43,996,466.423,4.511,5,0.351,0.81,1.0,0.6165615790555822,0.8115362209581248,0.9166695223082723,0.8889126859022686,0.808420002056062
EOS-2-23292,COc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3c(F)cc(F)cc3F)n12,ZKILVKALIVSZJT-UHFFFAOYSA-N,2,1,0.456,59,607,466.423,4.197,5,0.373,0.72,1.0,0.7659944486327188,0.6483791378246865,0.9233774244397231,0.8641114385580152,0.8004656123637859
EOS-2-23293,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2C)c(F)c1F,KSICNEBHIYRDKP-UHFFFAOYSA-N,2,1,0.434,95,235,466.427,3.329,5,0.379,0.57,0.997,0.4495922143787266,0.35096977588924677,0.5586234665204578,0.5333167706120211,0.47312555685011304
EOS-2-23294,Cn1nc(-c2cccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)nc1C(F)F,ILPZVKSXTFIITC-UHFFFAOYSA-N,2,1,0.522,15,931,466.427,3.68,5,0.361,0.65,1.0,0.6192858611472826,0.6151908710849153,0.42299191282297305,0.3867880885477349,0.5110641834007265
EOS-2-23295,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)cn2)n(C)n1,BYEXICBOICWMKA-UHFFFAOYSA-N,2,1,0.488,27,51,466.427,3.888,5,0.388,0.77,1.0,0.5994534301966966,0.5708827359331095,0.8255688438078267,0.687821259680625,0.6709315674045645
EOS-2-23296,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)n4)n23)cc1,VNRNKSYYIMOYJU-UHFFFAOYSA-N,2,1,0.529,36,734,466.427,4.063,5,0.372,0.68,1.0,0.6136231238434652,0.5960609279692961,0.7919950654513056,0.6153622095812488,0.6542603317113289
EOS-2-23297,Cn1nc(C(F)F)cc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cn1,FHHNOZXVERFBJE-UHFFFAOYSA-N,2,1,0.511,58,304,466.427,3.68,5,0.361,0.67,0.998,0.6787831539990405,0.672709204304023,0.6515060653827702,0.5658967856898088,0.6422238023439106
EOS-2-23298,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(F)c(F)c4)n23)c(F)c1,MWKAGDAGVCYDHN-UHFFFAOYSA-N,2,1,0.511,37,908,466.427,3.504,5,0.339,0.63,1.0,0.777491261736687,0.7573418545678843,0.6040024672743473,0.5878452470701118,0.6816702076622575
EOS-2-23299,CCn1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(C(F)(F)F)n5)n34)ccn2)c1,PFNIHOWKDKZRMV-UHFFFAOYSA-N,2,1,0.479,27,486,466.427,4.063,5,0.372,0.7,1.0,0.42650435199780684,0.5067764375299842,0.8275649372901104,0.618163593996299,0.5947523302035501
EOS-2-23300,Cc1ncc(COc2cncc3nnc(-c4ccc(F)c(-c5cn(C)nc5C(F)F)c4)n23)cn1,WZYXYWMSVUGRAN-UHFFFAOYSA-N,2,1,0.494,16,253,466.427,3.946,5,0.374,0.72,0.988,0.5908522376807621,0.5960694948941128,0.7723682406963196,0.632735933109451,0.6480064765951613
EOS-2-23301,N=c1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)cc4F)n23)[nH]1,QZEYFHIMOKPNIX-UHFFFAOYSA-N,2,1,0.45,26,832,466.427,3.618,5,0.381,0.57,1.0,0.6757333287643068,0.5814286203824275,0.8658248235213488,0.7939140566102392,0.7292252073195806
EOS-2-23302,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)nc2F)n1,VFYPJKFZZYYERY-UHFFFAOYSA-N,2,1,0.567,84,308,466.427,3.504,5,0.339,0.68,0.936,0.5653742032759921,0.5155918031663355,0.49035364265643205,0.4990919059694332,0.5176028887670483
EOS-2-23303,CCc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cnn(C(F)F)c1,IJDYJOJJXDXNDR-UHFFFAOYSA-N,2,1,0.396,27,122,466.427,4.12,5,0.333,0.6,0.975,0.4288602563223905,0.45298471660612705,0.6365482146528683,0.5333253375368378,0.5129296312795559
EOS-2-23304,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cc1,DWRQXNDJZUASQM-UHFFFAOYSA-N,2,1,0.54,27,734,466.427,4.063,5,0.372,0.66,1.0,0.5263261599616201,0.5814371873072441,0.8686776094852992,0.7449112466588993,0.6803380508532656
EOS-2-23305,Cc1c(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(-c2ccnc(F)c2)nn1C,GXDVHXMQFJSXLI-UHFFFAOYSA-N,2,1,0.427,27,69,466.427,3.946,5,0.35,0.6,0.997,0.41706360084983896,0.5248954835172367,0.6275186758961003,0.5297786306627373,0.5248140977314784
EOS-2-23306,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)n1C(C)F,UFMZJOVENOVZEC-UHFFFAOYSA-N,2,1,0.495,36,391,466.427,4.098,5,0.372,0.63,0.999,0.5414896168871222,0.6338496333356178,0.5654513055993421,0.529787197587554,0.5676444383524091
EOS-2-23307,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cnccn6)no5)n34)cc2)cc1,PUBRXUHLCZYNHF-UHFFFAOYSA-N,2,1,0.53,40,25,466.436,4.016,6,0.359,0.73,1.0,0.7117315468439449,0.7396939894455486,0.4153502158865054,0.4719347543005963,0.5846776266191489
EOS-2-23308,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)c2)nc1,MIEHUNGQRSCLPS-UHFFFAOYSA-N,2,1,0.474,81,218,466.436,4.016,6,0.359,0.64,1.0,0.5208004934548695,0.457396682886711,0.480116167500514,0.46254540470152833,0.48021468713590565
EOS-2-23309,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)ccc1-c1nnco1,SNEMSBGBYWLPPJ-UHFFFAOYSA-N,2,1,0.472,41,177,466.436,4.016,6,0.359,0.77,1.0,0.7117401137687616,0.5339678568980879,0.627527242820917,0.5940991021862793,0.6168335789185114
EOS-2-23310,Fc1cnc(-c2cnccc2COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cn1,AAQBOUYOXVRNQV-UHFFFAOYSA-N,2,1,0.472,41,78,466.436,4.016,6,0.359,0.68,1.0,0.9015574669316702,0.7486549928037831,0.6428534713179357,0.5723219793023097,0.7163469775889246
EOS-2-23311,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)on2)nc1,OFXJIETVMFOHIW-UHFFFAOYSA-N,2,1,0.478,40,120,466.436,4.016,6,0.359,0.74,1.0,0.8785552737989172,0.697236310054143,0.4012147899390035,0.3993472003289699,0.5940883935302584
EOS-2-23312,Fc1cc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,SFEWUJQJPACWMJ-UHFFFAOYSA-N,2,1,0.5,77,190,466.436,4.016,6,0.359,0.67,1.0,0.9064577479268042,0.6875471180864917,0.7263552875059969,0.6730947159207731,0.7483637173600165
EOS-2-23313,Fc1cc(-c2ccno2)ccc1-c1nnc2cncc(OCc3ccc(-c4cncnc4)cn3)n12,AYVUQANVEWQVKO-UHFFFAOYSA-N,2,1,0.541,41,868,466.436,4.016,6,0.359,0.65,1.0,0.6192944280720992,0.6431533136865191,0.6843173874306079,0.6267904872866835,0.6433889041189774
EOS-2-23314,Cc1nnc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c(F)c2)o1,QXKBYUVCXOCGNB-UHFFFAOYSA-N,2,1,0.366,30,363,466.436,4.538,6,0.361,0.78,1.0,0.5994619971215133,0.543091631827839,0.3902748269481187,0.3678123500788157,0.4751602014940717
EOS-2-23315,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)ccn1,KETLCJFKAGASTE-UHFFFAOYSA-N,2,1,0.465,41,518,466.436,4.016,6,0.336,0.69,1.0,0.8591426221643479,0.7071910766911109,0.6008412720169968,0.5395534918785553,0.6766821156877527
EOS-2-23316,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cc[n+]([O-])cc6)cn5)n34)cc2F)o1,RGDXROQGSRKGHK-UHFFFAOYSA-N,2,1,0.307,42,72,466.436,3.651,6,0.285,0.66,1.0,0.4288688232472072,0.4835600712768145,0.6542560482489206,0.5395620588033719,0.5265617503940786
EOS-2-23317,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)nn5)n34)cc2)nc1,AGKOMZWFWWLJFJ-UHFFFAOYSA-N,2,1,0.5,81,120,466.436,4.016,6,0.359,0.64,1.0,0.7180710712082791,0.5914433554931122,0.5113169076828181,0.48989959564114866,0.5776827325063395
EOS-2-23318,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)no2)c1,RKPSDIYOAVTCRB-UHFFFAOYSA-N,2,1,0.434,28,218,466.436,4.016,6,0.359,0.64,0.997,0.37964327325063396,0.3171475567130423,0.44141936810362553,0.462553971626345,0.4001910424234117
EOS-2-23319,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cocn6)n5)n34)cc2)nc1,AAXRGFKYWOECPM-UHFFFAOYSA-N,2,1,0.467,28,120,466.436,4.016,6,0.359,0.64,1.0,0.727306216160647,0.6007127681447467,0.5250753889383867,0.49613631690768284,0.5873076725378658
EOS-2-23320,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)cn1,GLYBEWZWVMEZBP-UHFFFAOYSA-N,2,1,0.457,28,218,466.436,4.016,6,0.359,0.67,1.0,0.6449009663491193,0.5571756562264409,0.4731255568501131,0.4748989102871633,0.5375252724282092
EOS-2-23321,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)c2)cn1,YAFPNBXLSXFSBG-UHFFFAOYSA-N,2,1,0.398,77,177,466.436,4.016,6,0.336,0.66,1.0,0.5763227331916935,0.4399030224110753,0.621933040915633,0.5785329997943938,0.5541729490781988
EOS-2-23322,COc1ncccc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1F,UTVNSEOTOWRGLK-UHFFFAOYSA-N,2,1,0.299,9,339,466.436,4.113,6,0.37,0.67,1.0,0.5237560825166199,0.47063258172846273,0.4903622095812487,0.4279864299910904,0.47818432595435545
EOS-2-23323,Fc1cncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)c1,FTEBCHOVIDKJNG-UHFFFAOYSA-N,2,1,0.473,41,355,466.436,4.016,6,0.359,0.66,1.0,0.7423754369131657,0.6431618806113357,0.5910749777259955,0.5562675621958741,0.6332199643615928
EOS-2-23324,Fc1ccccc1-c1noc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)n1,DHPMGPPRPAMZNB-UHFFFAOYSA-N,2,1,0.462,40,857,466.436,4.016,6,0.359,0.76,1.0,0.7304845452676307,0.7119028853402782,0.41535878281132205,0.4372472757179083,0.5737483722842849
EOS-2-23325,Fc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cn1,RRVHBUIYOWESHA-UHFFFAOYSA-N,2,1,0.406,28,857,466.436,4.016,6,0.336,0.77,1.0,0.4980381742169831,0.5156003700911521,0.3565554108697142,0.3961089027482695,0.44157571448152977
EOS-2-23326,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)ccc1-c1cnco1,OMGBJJRXSWQZGK-UHFFFAOYSA-N,2,1,0.585,41,868,466.436,4.016,6,0.359,0.64,1.0,0.7423840038379823,0.6241347405935166,0.7031303543280104,0.6386556781577685,0.6770761942293194
EOS-2-23327,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)o2)cc1,MOZAUZJWYXJQSL-UHFFFAOYSA-N,2,1,0.494,28,177,466.436,4.016,6,0.359,0.8,1.0,0.5966948804057296,0.677660886848057,0.3755482831882667,0.3993557672537866,0.51231495442396
EOS-2-23328,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)ccc1-c1ccccc1,HDBVCEVDFGFYNR-UHFFFAOYSA-N,2,1,0.489,77,177,466.436,4.016,6,0.359,0.68,1.0,0.7059317387430608,0.5960780618189295,0.50064251936125,0.5228051538619697,0.5813643684463026
EOS-2-23329,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2)nn1,ZGOWBQPIVJPERN-UHFFFAOYSA-N,2,1,0.55,77,323,466.436,4.016,6,0.359,0.64,1.0,0.8703995613734494,0.730167569049414,0.6247772599547666,0.5691864848194093,0.6986327187992598
EOS-2-23330,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)no2)c1,DIJPROIINSZYEX-UHFFFAOYSA-N,2,1,0.457,40,59,466.436,4.016,6,0.359,0.81,1.0,0.6219930093893496,0.5761770954698101,0.39395860461928583,0.4119834144335549,0.5010280309780001
EOS-2-23331,COc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)cn5)n34)cc2)o1,JHWKDFBJYSRQTH-UHFFFAOYSA-N,2,1,0.326,38,818,466.436,4.113,6,0.37,0.74,1.0,0.6108474402028647,0.5431001987526557,0.4970958124871496,0.4498577890480433,0.5252253101226784
EOS-2-23332,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)o2)nc1,CXZNXSYCCCDKHI-UHFFFAOYSA-N,2,1,0.436,28,363,466.436,4.016,6,0.359,0.75,1.0,0.6361455691864848,0.5867229799191283,0.32670824480844357,0.3741176067438832,0.48092360016448493
EOS-2-23333,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccoc6)cn5)n34)cn2)cn1,ZBTPNCXPHAZJHQ-UHFFFAOYSA-N,2,1,0.435,80,355,466.436,4.016,6,0.336,0.64,1.0,0.5879223493934618,0.5814457542320609,0.5556850113083408,0.49910047289424986,0.5560383969570284
EOS-2-23334,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)cn1,FKDAYLWSALMBFU-UHFFFAOYSA-N,2,1,0.488,41,518,466.436,4.016,6,0.336,0.69,1.0,0.8591511890891645,0.7071996436159276,0.6008498389418134,0.5395706257281886,0.6766928243437735
EOS-2-23335,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnco6)c5)n34)cn2)nc1,JVBZRSZWKRVMOP-UHFFFAOYSA-N,2,1,0.467,28,414,466.436,4.016,6,0.359,0.69,1.0,0.8704081282982661,0.6535535604139538,0.5386967993968885,0.4869011719553149,0.6373899150161059
EOS-2-23336,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)no2)c1,SWEBAYHSNZGRRD-UHFFFAOYSA-N,2,1,0.4,28,363,466.436,4.016,6,0.359,0.82,1.0,0.5938335275169625,0.5431087656774725,0.35656397779453086,0.39936433417860323,0.47321765129189225
EOS-2-23337,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)c2)cc1,OLPWIDMHVDRNSA-UHFFFAOYSA-N,2,1,0.438,81,218,466.436,4.016,6,0.359,0.67,0.977,0.4930864916729491,0.45740524981152764,0.4834401343293811,0.4961448838324995,0.4825191899115893
EOS-2-23338,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)nc1-c1cncnc1,GLXVBVBWAPJHLD-UHFFFAOYSA-N,2,1,0.426,40,59,466.436,4.016,6,0.359,0.72,1.0,0.8680950585977657,0.7209152902474127,0.4697930230964293,0.4531817558769104,0.6279962819546295
EOS-2-23339,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1,XNIVTYDQPUVULY-UHFFFAOYSA-N,2,1,0.494,40,355,466.436,4.016,6,0.359,0.63,1.0,0.7631673634432184,0.6535621273387705,0.6008584058666301,0.552737989171407,0.6425814714550065
EOS-2-23340,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)no2)cc1,CYKRVPMOJHAXHN-UHFFFAOYSA-N,2,1,0.456,28,297,466.436,4.016,6,0.359,0.83,1.0,0.5155404016174354,0.5960866287437462,0.3601792200671647,0.3835155232677678,0.4638304434240285
EOS-2-23341,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6nnco6)c5)n34)cn2)cc1,FAQBSKYDKLKKKX-UHFFFAOYSA-N,2,1,0.506,28,177,466.436,4.016,6,0.359,0.76,1.0,0.745382427523816,0.6483877047495031,0.5754403399355768,0.5592574189568912,0.6321169727914467
EOS-2-23342,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nc5)n34)cn2)cc1,OENIZDALLIUJTM-UHFFFAOYSA-N,2,1,0.517,28,177,466.436,4.016,6,0.359,0.71,1.0,0.7361986841203482,0.6241433075183332,0.5722962785278597,0.5495339592899733,0.6205430573641286
EOS-2-23343,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)no2)c1,KZUSHWHEQXVFOG-UHFFFAOYSA-N,2,1,0.483,40,147,466.436,4.016,6,0.359,0.74,1.0,0.644909533273936,0.5914519224179289,0.4339233088890412,0.44986635597285995,0.5300377801384415
EOS-2-23344,Fc1ccc(-c2ncc(-c3ccc(-c4nnc5cncc(OCc6cccnn6)n45)nc3)o2)cc1,WQUOAPHVGFNPQD-UHFFFAOYSA-N,2,1,0.421,28,177,466.436,4.016,6,0.359,0.67,0.999,0.5414981838119388,0.5524638475772736,0.49366047563566584,0.47194332122541294,0.5148914570625728
EOS-2-23345,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6nnco6)n5)n34)cc2)cc1,LNDWUGPXMFHXRK-UHFFFAOYSA-N,2,1,0.518,77,492,466.436,4.016,6,0.359,0.72,1.0,0.8158111164416421,0.7348622438489479,0.47630388595709683,0.5029555890617504,0.6324832088273593
EOS-2-23346,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)ccc1-c1ccccn1,WNNVMVNHORWAFQ-UHFFFAOYSA-N,2,1,0.484,28,177,466.436,4.016,6,0.359,0.7,1.0,0.8615756288122816,0.6007213350695634,0.5654598725241587,0.5297957645123706,0.6393881502295936
EOS-2-23347,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5nnco5)n34)nc2)cn1,IBPFKWSHUVQVOJ-UHFFFAOYSA-N,2,1,0.411,77,177,466.436,4.016,6,0.336,0.66,1.0,0.6602186279213214,0.5480090466726064,0.5783188266739772,0.5432886710986224,0.5824587930916318
EOS-2-23348,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)no2)nc1,SRLCCTKVSZCOFU-UHFFFAOYSA-N,2,1,0.452,28,59,466.436,4.016,6,0.359,0.82,1.0,0.6787917209238572,0.5960951956685628,0.34505003084092933,0.3741261736686999,0.49851578027551235
EOS-2-23349,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)c2)cn1,ABJGAAHXJNUJET-UHFFFAOYSA-N,2,1,0.406,77,177,466.436,4.016,6,0.336,0.71,1.0,0.6509320814200534,0.5022102666027003,0.6159875950928655,0.5785415667192104,0.5869178774587074
EOS-2-23350,Fc1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)no2)ccn1,KKKKYWYMQADFDS-UHFFFAOYSA-N,2,1,0.388,28,177,466.436,4.016,6,0.336,0.77,1.0,0.4471506408059763,0.4130028784867384,0.36402576930984853,0.39611746967308614,0.4050741895689123
EOS-2-23351,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)c2)nn1,PMSVRRPXUKPZGM-UHFFFAOYSA-N,2,1,0.5,77,323,466.436,4.016,6,0.359,0.64,1.0,0.6965252552943595,0.6289065177164005,0.5943132753066959,0.5495425262147899,0.6173218936330613
EOS-2-23352,Fc1cc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)o2)ccn1,WIXSMBMAVVKNBW-UHFFFAOYSA-N,2,1,0.421,28,363,466.436,4.016,6,0.336,0.8,1.0,0.5441025289562059,0.5664365019532589,0.39028339387293537,0.4052926461517374,0.4765287677335344
EOS-2-23353,Fc1ncccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,NNUSKYMOOLICCL-UHFFFAOYSA-N,2,1,0.462,40,78,466.436,4.016,6,0.336,0.71,1.0,0.8897865122335686,0.6102391885408813,0.6600558563498047,0.5941076691110959,0.6885473065588377
EOS-2-23354,Fc1ccnc(-c2ncccc2-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)c1,KGPMBKLOXJMMEM-UHFFFAOYSA-N,2,1,0.494,77,177,466.436,4.016,6,0.359,0.58,1.0,0.7774998286615037,0.610247755465698,0.5250839558632033,0.5061424850935509,0.6047435062709889
EOS-2-23355,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1-c1nnco1,HGPSJBLQENIPHA-UHFFFAOYSA-N,2,1,0.534,40,25,466.436,4.016,6,0.359,0.67,1.0,0.7660030155575355,0.6289150846412171,0.5910835446508121,0.5659053526146255,0.6379767493660475
EOS-2-23356,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cc2)nc1,UNWQFNCYWAGDAD-UHFFFAOYSA-N,2,1,0.489,81,609,466.436,4.016,6,0.359,0.64,1.0,0.6847028990473579,0.5571842231512576,0.4936690425604825,0.4719518881502296,0.5518770132273318
EOS-2-23357,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cocn5)n4)n23)nn1,PSQBGOJLPVEIRZ-UHFFFAOYSA-N,2,1,0.457,28,218,466.436,4.016,6,0.359,0.55,0.998,0.5208090603796861,0.45741381673634435,0.43393187581385784,0.44987492289767667,0.46550741895689124
EOS-2-23358,Fc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cn1,AUGUYWNRPWVMJX-UHFFFAOYSA-N,2,1,0.423,28,363,466.436,4.016,6,0.336,0.82,1.0,0.5518213282160236,0.5867315468439449,0.36018778699198134,0.3903005277225687,0.47226029744362963
EOS-2-23359,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cocn6)n5)n34)cc2)nn1,JLSWAKLMHVLMEW-UHFFFAOYSA-N,2,1,0.517,81,609,466.436,4.016,6,0.359,0.64,1.0,0.6361541361113014,0.5524724145020903,0.5079586731546843,0.4561373449386608,0.5381806421766843
EOS-2-23360,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ccon6)n5)n34)cc2)ccn1,QWEHCKMTMOKHRC-UHFFFAOYSA-N,2,1,0.435,28,59,466.436,4.016,6,0.336,0.66,1.0,0.742392570762799,0.6535706942635872,0.5079672400795011,0.4869097388801316,0.5977100609965047
EOS-2-23361,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)nc4)n23)ccc1-c1cnccn1,MNKABBDQZXGEBZ-UHFFFAOYSA-N,2,1,0.495,80,355,466.44,2.942,6,0.365,0.68,1.0,0.3842779795764512,0.30688438078267427,0.4591015009252279,0.41821156877527244,0.3921188575149065
EOS-2-23362,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)c1,GYECVJCUPNYGMQ-UHFFFAOYSA-N,2,1,0.468,40,425,466.44,3.147,6,0.393,0.63,1.0,0.630362894935234,0.5384397916523884,0.4082054005894044,0.3867966554725516,0.4909511856623946
EOS-2-23363,Fc1cccc(-n2nnnc2COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,VIIPIRZCRYCRLX-UHFFFAOYSA-N,2,1,0.442,40,807,466.44,2.942,6,0.365,0.67,1.0,0.4784370502364471,0.48822047837708177,0.3157083133438421,0.39317044753615243,0.4188840723733808
EOS-2-23364,Fc1ccc(-n2nnnc2COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1,GQBZKAMZCCNFNV-UHFFFAOYSA-N,2,1,0.473,40,807,466.44,2.942,6,0.365,0.73,1.0,0.45871598930847785,0.4795164827633473,0.33033205400589405,0.40231992324035365,0.4177211123295182
EOS-2-23365,Fc1nc(-c2nnc3cncc(OCc4cn(-c5ccccc5)nn4)n23)ccc1-c1cncnc1,RQHCHHWJSLITDD-UHFFFAOYSA-N,2,1,0.567,6,104,466.44,2.942,6,0.341,0.66,0.998,0.14411280926598588,0.21968165307381263,0.2974950311836063,0.31042252073195803,0.2429280035638407
EOS-2-23366,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)cn4)n23)ccc1-c1nc[nH]n1,VYHFGCDALOZQMR-UHFFFAOYSA-N,2,1,0.448,40,518,466.44,3.146,6,0.393,0.63,1.0,0.7333630320060311,0.6580683297923378,0.3412805839215955,0.3287900075388938,0.5153754883147146
EOS-2-23367,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,FWPCBODVHIRIEW-UHFFFAOYSA-N,2,1,0.429,56,425,466.44,3.147,6,0.368,0.69,1.0,0.6080374888629977,0.5384483585772051,0.43005105887190737,0.37751867589610033,0.4885138955520526
EOS-2-23368,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)nn2)c1,QBEPRAUVLNLKBW-UHFFFAOYSA-N,2,1,0.562,54,104,466.44,2.942,6,0.365,0.63,0.889,0.1498269481187033,0.1868189294770749,0.24276951545473238,0.2914467822630389,0.21771554382838737
EOS-2-23369,Fc1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)nc1,RUNCFXXIICLIKS-UHFFFAOYSA-N,2,1,0.474,40,425,466.44,3.147,6,0.393,0.68,1.0,0.702676307312727,0.5814543211568776,0.3194520594887259,0.297632101980673,0.4753036974847509
EOS-2-23370,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)c(-n2cccn2)c1,WUKKXZNWYJVLSS-UHFFFAOYSA-N,2,1,0.44,80,621,466.44,2.942,6,0.365,0.67,1.0,0.4058666301144541,0.39880748406551986,0.3829244054554177,0.3707508052909328,0.3895873312315811
EOS-2-23371,Fc1nccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)n1,PRPSNPYREQFBPF-UHFFFAOYSA-N,2,1,0.408,40,763,466.44,3.147,6,0.368,0.58,1.0,0.6136316907682818,0.5619302994996916,0.3715389623740662,0.3321739428414776,0.4698187238708793
EOS-2-23372,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)n2)nc1,VIMIRYWMZAGXMH-UHFFFAOYSA-N,2,1,0.439,6,414,466.44,3.147,6,0.393,0.6,0.997,0.602460420807347,0.5708913028579261,0.2715029812898362,0.24976869302994997,0.4236558494962648
EOS-2-23373,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6nc[nH]n6)n5)n34)ccn2)cn1,RNGBJUMSZZSYOX-UHFFFAOYSA-N,2,1,0.455,28,597,466.44,3.146,6,0.368,0.61,1.0,0.5106572544719348,0.4882290453018984,0.3640343362346652,0.33218250976629426,0.4237757864436982
EOS-2-23374,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cn2)nc1,OMDCUQLVWWFEDJ-UHFFFAOYSA-N,2,1,0.441,6,297,466.44,2.942,6,0.365,0.65,0.982,0.37500856692481666,0.36529367418271536,0.2791189774518539,0.2767630731272702,0.324046072921664
EOS-2-23375,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cc1,XOIACRLTYNPXQS-UHFFFAOYSA-N,2,1,0.494,40,288,466.44,2.942,6,0.365,0.64,1.0,0.41479336577342196,0.3843379480501679,0.20748235213487767,0.24977725995476663,0.31409773147830855
EOS-2-23376,Fc1ncccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,SIIQEAIFFLJYCL-UHFFFAOYSA-N,2,1,0.453,56,425,466.44,3.147,6,0.368,0.7,1.0,0.5682612569392091,0.5431173326022891,0.3866253169762182,0.35154375985196357,0.46238691659242
EOS-2-23377,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccc5-c5nn[nH]n5)nc4)n23)c1,WHPNBZVCMMJFQG-UHFFFAOYSA-N,2,1,0.484,40,363,466.44,3.147,6,0.393,0.67,1.0,0.6024689877321636,0.5761856623946269,0.40122335686382016,0.4150675073675553,0.4987363785895415
EOS-2-23378,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5c[nH]nn5)cc4F)n23)cn1,SEKBHNHGFIPLDU-UHFFFAOYSA-N,2,1,0.318,70,693,466.44,3.243,6,0.406,0.54,0.999,0.40808546364197107,0.4620742238366116,0.3978137207867864,0.3449472277431293,0.4032301590021246
EOS-2-23379,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nc[nH]n6)n5)n34)cn2)cn1,LUZOCRMKKMSKQJ-UHFFFAOYSA-N,2,1,0.424,6,584,466.44,3.147,6,0.368,0.66,1.0,0.5415067507367556,0.552480981426907,0.3565725447193475,0.322596120896443,0.4432890994448633
EOS-2-23380,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)nc1,PYGSTXBHHPOENY-UHFFFAOYSA-N,2,1,0.432,40,425,466.44,3.147,6,0.393,0.66,1.0,0.7887910355698718,0.6054160098690974,0.31571688026865874,0.2976406689054897,0.5018911486532794
EOS-2-23381,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)nn2)cn1,RGIBHZWSFMHUFV-UHFFFAOYSA-N,2,1,0.434,81,117,466.44,3.147,6,0.368,0.58,1.0,0.5338650538002878,0.5202607771914194,0.462656774724145,0.4309762867521075,0.4869397231169899
EOS-2-23382,Fc1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)c1,SDOASBZSTNYOJN-UHFFFAOYSA-N,2,1,0.495,40,893,466.44,3.147,6,0.393,0.72,1.0,0.6276643136179837,0.5619388664245083,0.437615653485025,0.42172400795010623,0.5122357103694058
EOS-2-23383,Cn1cnnc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c(F)c1,IKWGCXILGZPNEL-UHFFFAOYSA-N,2,1,0.379,67,622,466.44,3.37,6,0.376,0.72,1.0,0.605270372147214,0.5571927900760743,0.3267168117332602,0.31043108765677474,0.44990276540333085
EOS-2-23384,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)cc1,BKXAJOHQXMJMIK-UHFFFAOYSA-N,2,1,0.494,40,893,466.44,3.147,6,0.393,0.78,1.0,0.660227194846138,0.615199438009732,0.4414279350284422,0.4498834898224933,0.5416845144267014
EOS-2-23385,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnnn5-c5ccccc5)n34)cn2)cn1,WIDJMJUTNWAGGR-UHFFFAOYSA-N,2,1,0.47,6,843,466.44,2.942,6,0.341,0.55,0.997,0.27833938729353713,0.3017613597423069,0.29368274964018914,0.28562127338770477,0.2898511925159345
EOS-2-23386,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)c1,IYYBMNNGWZFHHP-UHFFFAOYSA-N,2,1,0.484,80,584,466.44,3.147,6,0.393,0.68,1.0,0.5967034473305463,0.5664450688780756,0.430059625796724,0.39937290110341994,0.4981452607771914
EOS-2-23387,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)c1,CNDGDYSVEUYFFY-UHFFFAOYSA-N,2,1,0.457,67,611,466.44,3.147,6,0.393,0.7,1.0,0.7059403056678775,0.6198255774107326,0.3230244671372764,0.35777191419368104,0.5016405661023919
EOS-2-23388,Cn1cnnc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c(F)c1,PCFJUYPMBUBXSQ-UHFFFAOYSA-N,2,1,0.396,56,868,466.44,3.37,6,0.376,0.78,1.0,0.5736327187992598,0.5761942293194435,0.390291960797752,0.3613014872181482,0.47535509903365086
EOS-2-23389,Cn1nnnc1-c1cc(F)nc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,KKFFOFPFTQJRNX-UHFFFAOYSA-N,2,1,0.402,25,622,466.44,3.37,6,0.352,0.66,1.0,0.4633506956342951,0.4928723185525324,0.2536666438215338,0.2886111301487218,0.3746251970392708
EOS-2-23390,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)ccc1-c1nc[nH]n1,HXFJOFOIQWMGGO-UHFFFAOYSA-N,2,1,0.474,40,868,466.44,3.147,6,0.393,0.61,1.0,0.6332328147488178,0.6102563223905147,0.44841854567884315,0.4087365499280378,0.5251610581865535
EOS-2-23391,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)n5)n34)c2)nc1,PFEGICFHISMDAD-UHFFFAOYSA-N,2,1,0.464,81,218,466.44,3.147,6,0.393,0.71,1.0,0.5181361798368858,0.45299328353094376,0.3528544993489137,0.3678209170036324,0.42295121993009394
EOS-2-23392,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)cc5F)n34)cn2)nn1,KKKFCOXIWWCLDY-UHFFFAOYSA-N,2,1,0.311,99,14,466.444,2.343,6,0.38,0.62,0.999,0.19402371324789253,0.25035124391748337,0.09749160441367967,0.11244945514358166,0.1635790041806593
EOS-2-23393,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5ccco5)cn4)n23)cc1F,JHBDPKKHWINKPT-UHFFFAOYSA-N,2,1,0.329,32,20,466.451,5.762,6,0.328,0.74,0.999,0.3105167569049414,0.439911589335892,0.8239411280926598,0.8397042697553286,0.6035184360222055
EOS-2-23394,Cc1onc(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)nc3)n12,DPQRIEVKGXAWKX-UHFFFAOYSA-N,2,1,0.365,83,950,466.451,5.762,6,0.328,0.77,1.0,0.2383661160989651,0.44431498869165925,0.827573504214927,0.8657305873483654,0.5939962990884793
EOS-2-23395,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5cc6ccccc6nn5)c4)n23)cc1F,HNMLOERBRGDUEG-UHFFFAOYSA-N,2,1,0.598,77,897,466.451,5.259,6,0.345,0.66,1.0,0.9110753204029881,0.9025854979096704,0.9137739017202385,0.9157100267288054,0.9107861866904257
EOS-2-23396,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)c1F,PYPSJRSNMGQYNS-UHFFFAOYSA-N,2,1,0.5,12,897,466.451,5.259,6,0.345,0.59,1.0,0.9385494482900418,0.9388407237338086,0.9147419642245219,0.914639161126722,0.9266928243437735
EOS-2-23397,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)c(F)c1,IXHPTSDKFOQMNR-UHFFFAOYSA-N,2,1,0.5,77,897,466.451,5.259,6,0.345,0.58,1.0,0.9287488862997738,0.9344715920773079,0.912805839215955,0.9157185936536221,0.9229362278116646
EOS-2-23398,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(-c6cnco6)cc5F)n34)cc2)n1,NMPHLUUNVOIZBG-UHFFFAOYSA-N,2,1,0.318,69,192,466.451,5.762,6,0.328,0.74,1.0,0.4194452059488726,0.47064114865327944,0.9147505311493387,0.8984905078473031,0.6758318483996985
EOS-2-23399,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1F,BUVOURZTQHDMCB-UHFFFAOYSA-N,2,1,0.342,69,30,466.451,5.762,6,0.328,0.75,1.0,0.33567781509149475,0.4977725995476664,0.8672983345898156,0.8748971969022,0.6439114865327942
EOS-2-23400,Cc1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c(F)c2)o1,HCCQVWIAYRIGCH-UHFFFAOYSA-N,2,1,0.375,93,107,466.451,5.762,6,0.328,0.76,1.0,0.3750171338496333,0.561947433349325,0.8492306901514632,0.8641200054828319,0.6625788157083133
EOS-2-23401,CS(=O)(=O)c1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)cc1,GDJLEELRQONCAZ-UHFFFAOYSA-N,2,1,0.56,43,909,466.454,2.963,5,0.371,0.71,1.0,0.6847114659721746,0.6678260571585224,0.5521897059831403,0.49615345075731615,0.6002201699677883
EOS-2-23402,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cc4)n23)c(F)c1,QJCVGUKLDZPQJT-UHFFFAOYSA-N,2,1,0.346,9,642,466.455,4.594,6,0.378,0.72,1.0,0.28665787129052156,0.3702710575011994,0.7877458707422383,0.8091546158590912,0.5634573538482626
EOS-2-23403,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5F)c4)n23)nc1,DFBQOYVFOMJECP-UHFFFAOYSA-N,2,1,0.294,10,673,466.455,4.688,6,0.375,0.67,0.918,0.015840243986018777,0.1541618120759372,0.7516534164896169,0.755208690288534,0.4192160407100267
EOS-2-23404,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)nc5)n34)nc2)cn1,UVXSJPJBIIOCQV-UHFFFAOYSA-N,2,1,0.31,32,714,466.455,4.594,6,0.378,0.69,1.0,0.1940322801727092,0.3121444726201083,0.8509697758892468,0.837682475498595,0.5487072510451648
EOS-2-23405,Fc1ccc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c(F)c1,VYBLOYYSXFRQDC-UHFFFAOYSA-N,2,1,0.329,93,689,466.455,4.438,6,0.373,0.8,0.999,0.25977486121581794,0.4309677198272908,0.6040110341991639,0.7526985813172503,0.5118630491398808
EOS-2-23406,Cn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)c2)nn1,KOWXBEYGGBVVKS-UHFFFAOYSA-N,2,1,0.317,3,192,466.455,4.594,6,0.378,0.72,1.0,0.19404084709752586,0.31215303954492496,0.814885888561442,0.8237355218970598,0.5362038242752382
EOS-2-23407,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6F)n5)n34)cc2)n1,INLHLFJFFPRVOK-UHFFFAOYSA-N,2,1,0.303,3,289,466.455,4.688,6,0.375,0.72,0.995,0.048745802206839835,0.23481940922486463,0.6898259200877254,0.7236481392639298,0.4242598176958399
EOS-2-23408,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1F,SYTPLCBBAGCCHM-UHFFFAOYSA-N,2,1,0.337,9,834,466.455,4.892,6,0.397,0.68,1.0,0.2729850592831197,0.4264615173737235,0.7468559385922829,0.7728479884860531,0.5547876259337948
EOS-2-23409,FC(F)n1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)cn1,WBOOZCKCRDVQRT-UHFFFAOYSA-N,2,1,0.325,41,818,466.455,5.174,6,0.348,0.74,1.0,0.12201014323898293,0.23482797614968132,0.8832242478240011,0.8490336508806798,0.5222740045233363
EOS-2-23410,Cn1nccc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)cn1,VSOZIZBXXAPGGL-UHFFFAOYSA-N,2,1,0.342,9,725,466.455,4.594,6,0.353,0.67,1.0,0.22997909670344732,0.3312744157357275,0.8200774450003426,0.8112620793639915,0.5481482592008773
EOS-2-23411,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)c(F)c5)n34)c2)nn1,XYWYNXHUEMPWRE-UHFFFAOYSA-N,2,1,0.349,9,764,466.455,4.594,6,0.353,0.71,1.0,0.15797409361935438,0.23483654307449797,0.8345298471660613,0.8416489616887122,0.5172473613871564
EOS-2-23412,FCc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ncc(F)cn5)c4)n23)cc1,AEISBVDAMZIIPN-UHFFFAOYSA-N,2,1,0.32,3,150,466.455,4.71,6,0.366,0.76,1.0,0.03545850181618806,0.2001833321910767,0.6953344527448427,0.7236567061887464,0.41365824823521347
EOS-2-23413,Cc1ncc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)c(-c2ccc(F)cc2)n1,DZZSAUWPVJXCIF-UHFFFAOYSA-N,2,1,0.347,3,673,466.455,4.688,6,0.375,0.74,0.983,0.026994380097320265,0.20019189911589336,0.7290196011239806,0.7777397025563704,0.43348639572339115
EOS-2-23414,Cn1cnnc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)cn1,MUSMLRXXLKRVCX-UHFFFAOYSA-N,2,1,0.37,3,774,466.455,4.594,6,0.378,0.74,1.0,0.22737475155918033,0.3939243369200192,0.7443715303954492,0.8026951545473237,0.5420914433554931
EOS-2-23415,Cn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)c2)nn1,UHQLYGBCLSLSMN-UHFFFAOYSA-N,2,1,0.329,9,38,466.455,4.594,6,0.353,0.68,1.0,0.1769241313138236,0.3068929477074909,0.8442618737577959,0.8490422178054965,0.5442802926461517
EOS-2-23416,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)c(F)c4)n23)c1,VIIQFPKDBOLHQZ-UHFFFAOYSA-N,2,1,0.364,3,192,466.455,4.594,6,0.378,0.71,1.0,0.23837468302378179,0.32215920773079293,0.8027893907203071,0.8356349804674115,0.5497395654855733
EOS-2-23417,Cn1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cc5F)n34)cc2)cc1F,ITOAOMAITZXHSH-UHFFFAOYSA-N,2,1,0.346,9,867,466.455,4.594,6,0.378,0.67,1.0,0.25687067370296757,0.3312829826605442,0.7653776300459187,0.747575560276883,0.5252767116715784
EOS-2-23418,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc(F)c(F)cn5)cc4)n23)c1,HQUIACCMEMRMSH-UHFFFAOYSA-N,2,1,0.325,9,642,466.455,4.594,6,0.378,0.72,1.0,0.24649612774998286,0.2503598108423,0.7859896511548214,0.7984716606127065,0.5203293125899526
EOS-2-23419,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)c(F)c5)n34)nc2)n1,DLZMOUIAQZFBNM-UHFFFAOYSA-N,2,1,0.349,32,572,466.455,4.594,6,0.353,0.69,1.0,0.20522068398327736,0.29698958261942293,0.7792817490233706,0.768101912137619,0.5123984819409224
EOS-2-23420,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nn2)cc1F,JMFATBJMFGFPEY-UHFFFAOYSA-N,2,1,0.413,93,74,466.455,4.594,6,0.378,0.74,1.0,0.2134106641080118,0.40817969981495444,0.7186450551709959,0.770603454184086,0.5277097183195121
EOS-2-23421,Cn1nc(-c2ccc(F)c(F)c2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,BCJYLEKWUWCURC-UHFFFAOYSA-N,2,1,0.33,30,737,466.455,4.594,6,0.378,0.76,0.992,0.17417414844767323,0.3462322664656295,0.5723048454526763,0.6791600986909739,0.44296783976423826
EOS-2-23422,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccc6F)c5)n34)cn2)ccc1F,IPKWFRPORVIQMF-UHFFFAOYSA-N,2,1,0.297,42,673,466.455,4.688,6,0.375,0.74,1.0,0.010306010554451375,0.22501884723459667,0.7628760879994517,0.7706120211089027,0.4422032417243506
EOS-2-23423,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)c(F)c5)n34)nc2)n1,NFUSWUIRWIYJKZ-UHFFFAOYSA-N,2,1,0.354,32,572,466.455,4.594,6,0.378,0.69,1.0,0.15521554382838737,0.30176992666712354,0.7443800973202659,0.7604173805770681,0.49044573709821127
EOS-2-23424,Cn1cnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)cn2)c1,PNXFFXVIAMIZSL-UHFFFAOYSA-N,2,1,0.346,32,693,466.455,4.594,6,0.378,0.79,0.999,0.2866664382153382,0.4620827907614283,0.7920036323761223,0.8027037214721403,0.5858641457062573
EOS-2-23425,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5F)n34)c2)nn1,PEFZLJVTRWCLFD-UHFFFAOYSA-N,2,1,0.333,3,764,466.455,4.594,6,0.353,0.6,1.0,0.16875985196353918,0.2919607977520389,0.7768401754506202,0.7962613940100062,0.5084555547940511
EOS-2-23426,Cc1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)c(-c2ccc(F)cc2)n1,SGKOAAQFMBHIDV-UHFFFAOYSA-N,2,1,0.33,3,118,466.455,4.688,6,0.375,0.71,0.932,0.042886025632239054,0.2811322047837708,0.6303543280104174,0.7103180042491947,0.41617264066890547
EOS-2-23427,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)cc(F)c5)nn4)n23)nc1,SYNLQFMHEDTDIY-UHFFFAOYSA-N,2,1,0.276,10,783,466.455,4.688,6,0.375,0.66,0.897,0.02252244534301967,0.13512610513330134,0.7559454458227675,0.8006219587416901,0.4285539887601946
EOS-2-23428,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cc2F)cn1,CKWPLGZCTAIYJB-UHFFFAOYSA-N,2,1,0.353,42,673,466.455,4.688,6,0.375,0.74,1.0,0.03419916386813789,0.25036837776711673,0.8345384140908779,0.8297066684942773,0.48720315605510245
EOS-2-23429,Cn1cnc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3ccc(-c4cccnc4F)cn3)n12,RZYSELSLJJNSRG-UHFFFAOYSA-N,2,1,0.302,32,572,466.455,4.594,6,0.353,0.65,0.677,0.1741827153724899,0.2657288739634021,0.6791258309917072,0.7345281337810979,0.4633913885271743
EOS-2-23430,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cc2F)cn1,LSTJZKWDFWNQCQ-UHFFFAOYSA-N,2,1,0.35,3,673,466.455,4.688,6,0.375,0.77,1.0,0.050262147899390035,0.24048214652868208,0.8410492769515455,0.8356435473922281,0.49185927969296145
EOS-2-23431,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)c(F)c2)nn1,FAKDLSJZEDJIEV-UHFFFAOYSA-N,2,1,0.338,3,192,466.455,4.594,6,0.378,0.76,1.0,0.13611986841203483,0.31715612363785894,0.8110136385443081,0.8337159893084778,0.52450140497567
EOS-2-23432,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6F)c5)n34)cc2)n1,UYTIROMPEIDIMB-UHFFFAOYSA-N,2,1,0.309,3,150,466.455,4.688,6,0.375,0.64,1.0,0.044325269001439245,0.24543382907271605,0.8065931053389076,0.8006305256665067,0.4742456822698924
EOS-2-23433,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)c(F)c1,JWLYAQXIONKEDM-UHFFFAOYSA-N,2,1,0.367,3,192,466.455,4.594,6,0.378,0.78,1.0,0.24924611061613322,0.4309762867521075,0.7792903159481872,0.8136351175382085,0.5682869577136591
EOS-2-23434,Cc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)cc5)n34)nn2)c1,NLFUSFSSCITOLV-UHFFFAOYSA-N,2,1,0.336,3,550,466.455,4.688,6,0.375,0.75,1.0,0.0457216777465561,0.2554828318826674,0.7920121993009389,0.8217051607155096,0.478730467411418
EOS-2-23435,Cn1cc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cn4)n23)c(-c2ccc(F)cc2)n1,PBQLJLWZSOTSIY-UHFFFAOYSA-N,2,1,0.354,32,572,466.455,4.594,6,0.378,0.67,1.0,0.15522411075320403,0.33129154958536083,0.7056575971489274,0.7501199369474334,0.4855732986087314
EOS-2-23436,Cn1c(-c2cccc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cn4)cc3)n12,KHCUYYNVKJKVRW-UHFFFAOYSA-N,2,1,0.41,3,474,466.455,4.594,6,0.378,0.78,1.0,0.13612843533685148,0.35587862380919744,0.5910921115756288,0.7019738194777603,0.4462682475498595
EOS-2-23437,FC(F)n1nccc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,ICGPUJZBQOMWEK-UHFFFAOYSA-N,2,1,0.314,9,645,466.455,5.174,6,0.348,0.75,1.0,0.12768144746761703,0.1954972243163594,0.8727640326228497,0.8453927078335961,0.5103338530601056
EOS-2-23438,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)c5)n34)cc2F)nn1,DPAISIDDDIALMF-UHFFFAOYSA-N,2,1,0.341,3,668,466.455,4.688,6,0.375,0.69,0.998,0.007127681447467617,0.24049071345349873,0.7963470632581728,0.8091631827839079,0.46328216023576174
EOS-2-23439,FC(F)n1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)cn1,UQHWFXOKUDNVJH-UHFFFAOYSA-N,2,1,0.306,38,787,466.455,5.174,6,0.348,0.73,1.0,0.09636077033787951,0.21465286820642862,0.8492392570762799,0.8069443492563909,0.4917993112192447
EOS-2-23440,CCn1nc(C)nc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n(C)n1,AYWCDZNQMFPOFK-UHFFFAOYSA-N,2,1,0.42,92,185,466.456,3.023,5,0.36,0.58,0.999,0.28106366938523747,0.3558871907340141,0.07866150366664382,0.0579895140840244,0.19340046946747994
EOS-2-23441,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)c1,MDFKBILBCXIGRG-UHFFFAOYSA-N,2,1,0.368,93,651,433.54,6.192,6,0.333,0.75,1.0,0.25978342814063465,0.19550579124117606,0.8148944554862586,0.827496401891577,0.5244200191899115
EOS-2-23442,COc1cc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4)n23)ccc1-c1cncn1C,AKFCWBSGNNAEDD-UHFFFAOYSA-N,2,1,0.449,67,722,466.461,4.043,6,0.358,0.78,1.0,0.42182681104790626,0.19089678568980878,0.5079758070043178,0.3482797614968131,0.3672447913097115
EOS-2-23443,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)n(C)c1=O,QPAVGUMSEHJMKP-UHFFFAOYSA-N,2,1,0.494,67,722,466.461,3.338,6,0.38,0.66,1.0,0.4587245562332945,0.2969981495442396,0.30098176958399014,0.2528956205880337,0.3274000239873895
EOS-2-23444,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(Oc5ccccc5)no4)n23)cc1,RDVRZEBUENJGOO-UHFFFAOYSA-N,2,1,0.452,40,857,466.461,3.946,6,0.344,0.64,1.0,0.46094338976081145,0.2404992803783154,0.25367521074635047,0.20014049756699334,0.28881459461311765
EOS-2-23445,COc1ncc(-c2nc(C)no2)cc1-c1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,SMWYQZGNOQFXDD-UHFFFAOYSA-N,2,1,0.298,86,812,466.465,3.016,6,0.373,0.68,1.0,0.24116750051401548,0.0895500651086286,0.08087177026934411,0.04070145980398876,0.11307269892399424
EOS-2-23446,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6nncn6C)n5)n34)cc2)o1,ZRWKJJWGSVPHHZ-UHFFFAOYSA-N,2,1,0.432,56,428,466.465,2.919,6,0.36,0.66,1.0,0.4170721677746556,0.2762147899390035,0.08580631896374477,0.061099307792474813,0.2100481461174697
EOS-2-23447,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)no1,SSDNAAWNXNDTIY-UHFFFAOYSA-N,2,1,0.457,80,34,466.465,2.919,6,0.36,0.65,1.0,0.3564954423959975,0.24544239599753273,0.08820505791241176,0.053637516277157155,0.18594510314577478
EOS-2-23448,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cnn(C)n6)n5)n34)cc2)o1,UZDHYSJYBYXYTG-UHFFFAOYSA-N,2,1,0.436,56,428,466.465,2.919,6,0.36,0.6,0.999,0.4609519566856281,0.3410407100267288,0.11324617915153176,0.06922075251867589,0.24611489959564115
EOS-2-23449,CCn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)no1,VYZBBMNNASPGLS-UHFFFAOYSA-N,2,1,0.402,6,280,466.465,3.094,6,0.345,0.59,0.987,0.14122575560276884,0.11489959564114866,0.07641696936467686,0.0788242752381605,0.10284164896168871
EOS-2-23450,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cncnn6)nn5C)n34)cc2)o1,XDPFQCUHJZZYJM-UHFFFAOYSA-N,2,1,0.432,71,415,466.465,2.919,6,0.36,0.58,1.0,0.37256699335206633,0.3069015146323076,0.1641508464121719,0.11476252484408196,0.23959546981015695
EOS-2-23451,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6noc(C)n6)cn5)n34)cc2)n[nH]1,UGYOMMHMQDNYJC-UHFFFAOYSA-N,2,1,0.436,56,8,466.465,3.217,6,0.388,0.61,1.0,0.41945377287368923,0.3558957576588308,0.10786615036666439,0.07883284216297717,0.24051213076554037
EOS-2-23452,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5c(-c6nn[nH]n6)noc5C)nc4)n23)cc1,UHPLPYSAJAEIBB-UHFFFAOYSA-N,2,1,0.54,89,731,466.465,3.217,6,0.388,0.69,0.972,0.49804674114179975,0.2919693646768556,0.12209581248714961,0.10987081077376465,0.2554956822698924
EOS-2-23453,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccnn6)n5C)n34)cc2)o1,IUTWSXHOKFWXNH-UHFFFAOYSA-N,2,1,0.436,71,415,466.465,2.919,6,0.36,0.66,1.0,0.39084881091083545,0.3171646905626756,0.05044205332054006,0.04710095264203961,0.2013891268590227
EOS-2-23454,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccn(C)n6)n5)n34)cc2)o1,QKFDXSAQEFSPFD-UHFFFAOYSA-N,2,1,0.458,71,415,466.465,2.919,6,0.36,0.63,1.0,0.3307775340963608,0.25549139880748406,0.08581488588856144,0.05106743883215681,0.18078781440614078
EOS-2-23455,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ncccn6)nn5C)n34)cc2)o1,ZIYHOCARZKEMIZ-UHFFFAOYSA-N,2,1,0.451,56,8,466.465,2.919,6,0.36,0.63,1.0,0.42651291892262355,0.37514563772188336,0.03389075457473785,0.025169625111370022,0.2151797340826537
EOS-2-23456,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccnn6C)c5)n34)cn2)n1,UHKKHABXXXZJRW-UHFFFAOYSA-N,2,1,0.447,80,843,466.465,2.919,6,0.36,0.7,1.0,0.39311047906243574,0.18682749640189159,0.15165170310465356,0.09708895894729627,0.2071696593790693
EOS-2-23457,COc1ncc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n(C)n2)cn1,XGOYMTVYBUZIFV-UHFFFAOYSA-N,2,1,0.354,67,622,466.465,3.173,6,0.393,0.58,1.0,0.4378897950791584,0.29700671646905624,0.217608457268179,0.12395483517236652,0.26911495099719007
EOS-2-23458,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6noc(C)n6)n5)n34)cc2)n[nH]1,HZAOYQYFGYZVEM-UHFFFAOYSA-N,2,1,0.474,56,8,466.465,3.217,6,0.388,0.61,0.968,0.42403707765060655,0.37027962442601603,0.07433520663422657,0.05364608320197382,0.23057449797820576
EOS-2-23459,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)cc1,NWVXIBOFARIPSP-UHFFFAOYSA-N,2,1,0.458,81,609,466.465,3.094,6,0.345,0.59,1.0,0.37735590432458366,0.18244979782057433,0.09505003084092933,0.07884140908779384,0.1834242855184703
EOS-2-23460,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cn(C)nn6)cn5)n34)cc2)o1,JLVNFHGPVFFSLN-UHFFFAOYSA-N,2,1,0.451,56,197,466.465,2.919,6,0.36,0.68,1.0,0.3356863820163114,0.30177849359194026,0.14843910629840312,0.09709752587211294,0.22075037694469196
EOS-2-23461,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4noc(C)n4)cn3)n12,XDWVEDLBBMFXNE-UHFFFAOYSA-N,2,1,0.275,98,765,466.465,3.016,6,0.373,0.65,1.0,0.22447056404632992,0.08304776917277774,0.10787471729148106,0.06922931944349256,0.12115559248852031
EOS-2-23462,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5nccc(-c6ccon6)n5)n34)ccn2)c1,QSKQONOMOQFKTJ-UHFFFAOYSA-N,2,1,0.449,75,597,466.465,2.653,6,0.345,0.64,1.0,0.4265214858474402,0.24545096292234939,0.08088033719416078,0.0640548968542252,0.20422692070454387
EOS-2-23463,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)o1,RWTJCAQXYQRFDL-UHFFFAOYSA-N,2,1,0.478,67,609,466.465,2.919,6,0.36,0.61,1.0,0.3842865465012679,0.18245836474539098,0.08088890411897745,0.05951442670139127,0.1767870605167569
EOS-2-23464,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cn2)cn1,WUYIPYVJMZYVRK-UHFFFAOYSA-N,2,1,0.41,6,843,466.465,3.094,6,0.345,0.63,1.0,0.23271194571996437,0.18246693167020767,0.11634740593516552,0.08040058940442739,0.15298171818244125
EOS-2-23465,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnn(C)c6)nc5)n34)n2)o1,BVVFSDLTSBVKJU-UHFFFAOYSA-N,2,1,0.418,6,843,466.465,2.919,6,0.36,0.62,1.0,0.2519703927078336,0.18683606332670824,0.10788328421629771,0.06923788636830923,0.15398190665478717
EOS-2-23466,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nn4)n23)cc1,GTSLCIMPXFHBPQ-UHFFFAOYSA-N,2,1,0.462,67,609,466.465,3.094,6,0.345,0.55,1.0,0.3702967582756494,0.21466143513124528,0.10256322390514701,0.08743403467891166,0.19373886299773835
EOS-2-23467,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)no1,MKANCSHJGXSINM-UHFFFAOYSA-N,2,1,0.571,56,415,466.465,2.919,6,0.36,0.64,1.0,0.42653005277225686,0.20481803851689398,0.10531320677129738,0.07884997601261051,0.2038778185182647
EOS-2-23468,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cnn2)o1,ZKNGDOXQTORGQY-UHFFFAOYSA-N,2,1,0.5,71,49,466.465,2.919,6,0.36,0.71,1.0,0.4609605236104448,0.17410561304913988,0.11325474607634843,0.08387019395517785,0.20804776917277773
EOS-2-23469,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccn(C)n6)nc5)n34)n2)no1,FHMRJEKSYQZZMF-UHFFFAOYSA-N,2,1,0.42,6,843,466.465,2.919,6,0.36,0.63,1.0,0.30016791172640667,0.24050784730313207,0.07434377355904324,0.04710951956685628,0.16553226303885957
EOS-2-23470,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cc2)n1,PQQBKZCSBWDFMR-UHFFFAOYSA-N,2,1,0.474,81,609,466.465,3.094,6,0.345,0.65,1.0,0.28393358919882117,0.2503769446919334,0.08089747104379412,0.05799808100884107,0.16830152148584743
EOS-2-23471,COc1cnc(-c2nc(C)no2)cc1-c1cncc2nnc(-c3ccc(-c4n[nH]c(C)n4)cc3)n12,UGLVMSIXNRJVRC-UHFFFAOYSA-N,2,1,0.326,98,725,466.465,3.314,6,0.401,0.74,1.0,0.36580768967171545,0.13152799671030088,0.1104961962853814,0.06406346377904187,0.16797383661160992
EOS-2-23472,Cc1nc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,PNYYCCALGRJREG-UHFFFAOYSA-N,2,1,0.478,71,415,466.465,2.919,6,0.36,0.65,1.0,0.4633592625591118,0.21467000205606196,0.127373038174217,0.08744260160372833,0.22321122609827976
EOS-2-23473,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnn(C)n6)n5)n34)cc2)o1,VAJPKIDRCNRBDF-UHFFFAOYSA-N,2,1,0.516,81,415,466.465,2.919,6,0.36,0.61,1.0,0.33318483996984444,0.28658076896717155,0.09280549653896238,0.06743883215680899,0.19500248440819687
EOS-2-23474,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n(C)n2)no1,OMFVXHAHGSSFQM-UHFFFAOYSA-N,2,1,0.423,71,117,466.465,2.919,6,0.36,0.67,1.0,0.3356949489411281,0.26573744088821877,0.07642553628949353,0.062538551161675,0.18509911932012885
EOS-2-23475,COc1nc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cc4)n23)ccc1-c1nc[nH]n1,RFPCUMMNUNYRES-UHFFFAOYSA-N,2,1,0.4,56,870,466.465,3.173,6,0.393,0.57,1.0,0.372575560276883,0.20020046604071004,0.15449592214378727,0.09315674045644576,0.2051071722294565
EOS-2-23476,Cc1ncc(COc2cncc3nnc(-c4cc(-c5ccc(Cn6ccnc6)nc5)ncn4)n23)o1,IXGJNPDNWHVAJP-UHFFFAOYSA-N,2,1,0.474,7,238,466.465,2.764,6,0.345,0.55,0.999,0.29504489068603934,0.10207490919059695,0.1610581865533548,0.09710609279692961,0.16382101980673017
EOS-2-23477,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nccnn6)nn5C)n34)cc2)o1,AMNBCWAFZAAOOZ-UHFFFAOYSA-N,2,1,0.446,71,415,466.465,2.919,6,0.36,0.58,1.0,0.3658162565965321,0.3266140086354602,0.1132633130011651,0.08040915632924406,0.22152568364060035
EOS-2-23478,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnnn6C)on5)n34)cc2)cn1,ACYIARXMPPAYTJ-UHFFFAOYSA-N,2,1,0.553,56,415,466.465,2.919,6,0.36,0.7,1.0,0.32558597765746006,0.230039065177164,0.11050476321019807,0.10540744294428073,0.19288431224727573
EOS-2-23479,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnnn6C)ccn5)n34)cc2)o1,NTXYFDXRLHBQGF-UHFFFAOYSA-N,2,1,0.547,56,415,466.465,2.919,6,0.36,0.68,1.0,0.3725841272016997,0.2554999657323007,0.1395809060379686,0.10541600986909738,0.21827025221026658
EOS-2-23480,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cn(C)nn6)n5)n34)cn2)o1,NZVWWBIMCHDCND-UHFFFAOYSA-N,2,1,0.429,6,843,466.465,2.919,6,0.36,0.66,1.0,0.229987663628264,0.19090535261462546,0.11635597285998218,0.0729987663628264,0.15256193886642452
EOS-2-23481,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncon5)n4)n23)cn1,PIKUMXLHAHQUMM-UHFFFAOYSA-N,2,1,0.429,80,843,466.465,2.919,6,0.36,0.65,1.0,0.28939928723185526,0.18247549859502432,0.10257179082996368,0.06575114796792543,0.1600494311561922
EOS-2-23482,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnn(C)c6)nc5)n34)n2)no1,LIZAKLVCLCUHMD-UHFFFAOYSA-N,2,1,0.42,6,843,466.465,2.919,6,0.36,0.66,1.0,0.26510348845178533,0.23484510999931466,0.10004454800904668,0.06407203070385854,0.16601629429100132
EOS-2-23483,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnnn6C)cc5)n34)n2)no1,GFVHMKXBRIWKNV-UHFFFAOYSA-N,2,1,0.463,56,415,466.465,2.919,6,0.36,0.6,1.0,0.26766499897196905,0.20482660544171064,0.09281406346377905,0.07107977520389282,0.1590963607703379
EOS-2-23484,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6noc(C)n6)n5)n34)cc2)n[nH]1,IJLSEVUUNYOTCL-UHFFFAOYSA-N,2,1,0.406,56,8,466.465,3.217,6,0.388,0.55,1.0,0.39742820917003635,0.35590432458364746,0.10005311493386335,0.07692241792886026,0.23257701665410185
EOS-2-23485,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)c2)cn1,VAXLGZABPLMYQE-UHFFFAOYSA-N,2,1,0.414,6,549,466.465,3.094,6,0.345,0.66,1.0,0.1552326776780207,0.11191830580494826,0.1453550133644027,0.10347131793571379,0.12899432869577138
EOS-2-23486,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)o4)n23)ncn1,MJTVHXAPFMYLCH-UHFFFAOYSA-N,2,1,0.352,80,296,466.465,3.094,6,0.345,0.63,0.915,0.2568792406277843,0.10208347611541362,0.10532177369611405,0.07300733328764307,0.13432295593173876
EOS-2-23487,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nc(C)no4)cn3)n12,JJCBIJSXRJZTSQ-UHFFFAOYSA-N,2,1,0.278,98,765,466.465,3.016,6,0.373,0.68,1.0,0.20812487149612774,0.05722705777534096,0.11636453978479885,0.07506339524364335,0.11419496607497773
EOS-2-23488,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnn6)nn5C)n34)cc2)o1,VAISHNHVNZMMNM-UHFFFAOYSA-N,2,1,0.432,71,415,466.465,2.919,6,0.36,0.72,1.0,0.4104156671921047,0.3702881913508327,0.04855732986087314,0.039459255705571926,0.2171801110273456
EOS-2-23489,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cccc(-c5ncon5)n4)n23)c1,SWJRMONTTPHDES-UHFFFAOYSA-N,2,1,0.396,80,34,466.465,3.094,6,0.345,0.67,0.967,0.2160664108011788,0.13153656363511754,0.1395894729627853,0.10129531903228017,0.14712194160784045
EOS-2-23490,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cncn6C)nc5)n34)n2)no1,JQWNKCAUKUNTCE-UHFFFAOYSA-N,2,1,0.416,6,843,466.465,2.919,6,0.36,0.64,1.0,0.3331934068946611,0.20975258721129464,0.08821362483722843,0.058006647933657736,0.17229156671921048
EOS-2-23491,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6noc(C)n6)cn5)n34)nc2)n[nH]1,OYMSBGUDARZQEO-UHFFFAOYSA-N,2,1,0.416,6,843,466.465,3.217,6,0.388,0.68,0.996,0.35418237269549724,0.2865893358919882,0.12210437941196628,0.07693098485367693,0.20995176821328215
EOS-2-23492,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnn(C)c6)c5)n34)cn2)n1,KTTHNGFTDDLKHT-UHFFFAOYSA-N,2,1,0.436,80,855,466.465,2.919,6,0.36,0.77,1.0,0.3931190459872524,0.19091391953944212,0.18340072647522446,0.12164176547186623,0.22226886436844628
EOS-2-23493,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnnn6C)c5)n34)cc2)n1,GRNVFGAOKQNJEV-UHFFFAOYSA-N,2,1,0.529,67,755,466.465,2.919,6,0.36,0.77,1.0,0.4240456445754232,0.2657460078130354,0.11914022342539922,0.09919642245219656,0.2270320745665136
EOS-2-23494,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)no2)n1C,RQHIJBITEIYRHW-UHFFFAOYSA-N,2,1,0.468,71,117,466.465,2.919,6,0.36,0.62,1.0,0.32817318895209374,0.21969021999862928,0.06190459872524159,0.058015214858474405,0.16694580563360975
EOS-2-23495,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)n1,DVLXAGHJIUOSCG-UHFFFAOYSA-N,2,1,0.505,67,415,466.469,1.751,6,0.356,0.7,1.0,0.33078610102117745,0.20483517236652732,0.03389932149955452,0.029787197587553972,0.14982694811870334
EOS-2-23496,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnnn6C)n5)n34)cn2)cn1,KUPHEXLMDSZKHV-UHFFFAOYSA-N,2,1,0.433,92,502,466.469,1.751,6,0.356,0.65,1.0,0.21097765746007813,0.18684463025152492,0.045259063806456036,0.03390788842437119,0.11924730998560758
EOS-2-23497,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnnn6C)nc5)n34)n2)cn1,OHBDJXAHLQUSIJ-UHFFFAOYSA-N,2,1,0.363,80,816,466.469,1.751,6,0.356,0.57,1.0,0.20522925090809402,0.1578455897471044,0.08090603796861079,0.053654650126790486,0.12440888218764992
EOS-2-23498,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-n5ccnc5)nn4)n23)cc1,RZEMEQGYAVVYFW-UHFFFAOYSA-N,2,1,0.495,71,447,466.469,1.579,6,0.34,0.63,1.0,0.39946713727640326,0.2811407717085875,0.04065005825508875,0.03812281543417175,0.1898451956685628
EOS-2-23499,Cc1ncc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)n(C)n2)cn1,CCGBHFKMURIFFH-UHFFFAOYSA-N,2,1,0.402,56,789,466.469,2.273,6,0.372,0.71,1.0,0.32559454458227677,0.26034884517853474,0.061913165650058256,0.035021588650538005,0.17071953601535195
EOS-2-23500,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)cnn2)n1C,MHZRBGYNMBLCRF-UHFFFAOYSA-N,2,1,0.392,92,502,466.469,2.049,6,0.386,0.67,0.076,0.3474487697895963,0.182484065519841,0.03009560688095401,0.022590980741553014,0.1456548557329861
EOS-2-23501,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnnn6C)cc5)n34)cc2)n1,JTPQXABOHTXUCB-UHFFFAOYSA-N,2,1,0.577,67,402,466.469,1.751,6,0.356,0.73,1.0,0.5289990405044205,0.30691008155712424,0.061921732574874926,0.055128161195257354,0.23823975395791921
EOS-2-23502,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)n(C)n1,XIEFZQWFZSNZDS-UHFFFAOYSA-N,2,1,0.315,99,502,466.469,2.448,6,0.359,0.58,0.998,0.2492546775409499,0.1909224864642588,0.02080049345486944,0.013295867315468439,0.11856838119388664
EOS-2-23503,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nn4)n23)cn1,CCLKKTAAOGEGNJ-UHFFFAOYSA-N,2,1,0.379,71,502,466.469,2.019,6,0.343,0.63,0.999,0.17142416558152285,0.12125625385511617,0.027936741827153725,0.02181995750805291,0.08560927969296142
EOS-2-23504,CCn1nc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,CPUSLWORPZHJMQ-UHFFFAOYSA-N,2,1,0.415,56,415,466.469,2.224,6,0.371,0.7,1.0,0.31052532382975806,0.23004763210198068,0.01893290384483586,0.018256116784319102,0.14444049414022342
EOS-2-23505,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnnn6C)nn5)n34)cc2)cn1,JXJWZCNTHKXPHL-UHFFFAOYSA-N,2,1,0.467,71,614,466.469,1.751,6,0.356,0.62,1.0,0.3001764786512234,0.2348536769241313,0.05235247755465698,0.04849736138715647,0.15896999862929204
EOS-2-23506,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-c4nnnn4C)n23)cc1,BVJJCARSQNJVOV-UHFFFAOYSA-N,2,1,0.584,25,402,466.469,1.751,6,0.356,0.72,1.0,0.5130816941950518,0.30691864848194095,0.04065862517990542,0.04850592831197313,0.2272912240422178
EOS-2-23507,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)cn2)cn1,WPZPZYDPEWUPCV-UHFFFAOYSA-N,2,1,0.457,56,614,466.469,1.751,6,0.356,0.67,1.0,0.30544513741347407,0.18685319717634158,0.07435234048385991,0.04711808649167295,0.1534421903913371
EOS-2-23508,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)cn2)cn1,JYENAIMXVOPSER-UHFFFAOYSA-N,2,1,0.384,92,816,466.469,1.751,6,0.356,0.61,1.0,0.2839421561236379,0.16950517442258928,0.06579398259200878,0.041960797752038925,0.14030052772256874
EOS-2-23509,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)cc1,RMVPSBHQHWDYPU-UHFFFAOYSA-N,2,1,0.622,25,402,466.469,1.751,6,0.356,0.71,1.0,0.4706925502021794,0.3171732574874923,0.05427146871359057,0.05802378178329107,0.22504026454663834
EOS-2-23510,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ncccn5)nn4C)n23)cc1,JVVZRVIJFARFGI-UHFFFAOYSA-N,2,1,0.432,56,415,466.469,1.751,6,0.356,0.61,1.0,0.3931276129120691,0.28659790281680486,0.011693852374751559,0.008292783222534439,0.17492803783153998
EOS-2-23511,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncnn6C)n5)n34)cn2)cn1,GFCANIHAIRLMFG-UHFFFAOYSA-N,2,1,0.363,80,816,466.469,1.751,6,0.356,0.65,1.0,0.25435199780686724,0.17833767390857377,0.05236104447947365,0.035030155575354674,0.13002021794256735
EOS-2-23512,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-n5ncnn5)nn4)n23)cc1,XPZLEXJURKGFEM-UHFFFAOYSA-N,2,1,0.449,71,614,466.469,1.579,6,0.34,0.64,1.0,0.41946233979850595,0.3121616064697416,0.05236961140429031,0.04985093550818998,0.20846112329518196
EOS-2-23513,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccnn5)nn4C)n23)cn1,LHUPNFCOOVQSKB-UHFFFAOYSA-N,2,1,0.384,99,502,466.469,1.751,6,0.356,0.67,0.786,0.3496933040915633,0.2657545747378521,0.013235898841751765,0.008652594064834486,0.15933409293400042
EOS-2-23514,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)n2)cn1,ORHKPLUUZMKHJJ-UHFFFAOYSA-N,2,1,0.436,56,614,466.469,1.751,6,0.356,0.72,1.0,0.2597919950654513,0.18686176410115826,0.070068878075526,0.0485144952367898,0.14130928311973134
EOS-2-23515,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)n1,FBYJPECAJUXBKF-UHFFFAOYSA-N,2,1,0.523,56,415,466.469,1.751,6,0.356,0.68,1.0,0.307792474813241,0.19093105338907546,0.05045062024535673,0.035998218079638135,0.14629309163182783
EOS-2-23516,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nn2)cn1,JKEVTAFXJIBZNS-UHFFFAOYSA-N,2,1,0.427,71,614,466.469,1.751,6,0.356,0.68,1.0,0.33320197381947775,0.20484373929134397,0.056130491398807485,0.039467822630388595,0.15841100678500444
EOS-2-23517,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6cccn6)nn5)n34)cc2)n1,OJDUBLXHVWIGBA-UHFFFAOYSA-N,2,1,0.489,71,614,466.469,1.579,6,0.34,0.63,1.0,0.39536358028921936,0.2657631416626688,0.029041875128503872,0.024227263381536565,0.17859896511548215
EOS-2-23518,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ncccn6)nn5C)n34)cc2)n1,YOHYXWICADDEIW-UHFFFAOYSA-N,2,1,0.432,56,415,466.469,1.751,6,0.356,0.59,1.0,0.3842951134260846,0.3017870605167569,0.011085600712768144,0.0066479336577342195,0.17595392707833596
EOS-2-23519,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnnn6C)nn5)n34)cc2)n1,IAHXUQCAZFYYEN-UHFFFAOYSA-N,2,1,0.462,71,415,466.469,1.751,6,0.356,0.64,1.0,0.3281817558769104,0.24545952984716607,0.03921081488588856,0.03391645534918786,0.1616921389897882
EOS-2-23520,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)nc2)cn1,CQRXWBCSXVTGRK-UHFFFAOYSA-N,2,1,0.453,56,197,466.469,1.751,6,0.356,0.69,1.0,0.3865482146528682,0.21969878692344597,0.07221917620450963,0.044350969775889246,0.18070428688917828
EOS-2-23521,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cnccn5)nn4C)n23)cc1,ZEPRNOFNXNPKCF-UHFFFAOYSA-N,2,1,0.438,56,614,466.469,1.751,6,0.356,0.66,1.0,0.34970187101637995,0.2709718319512028,0.01810191213761908,0.01419539442121856,0.16324275238160507
EOS-2-23522,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccn6)nn5C)n34)cc2)n1,HVWKSVFBQMELNK-UHFFFAOYSA-N,2,1,0.447,56,415,466.469,1.751,6,0.356,0.67,1.0,0.3281903228017271,0.2866064697416216,0.012644781029401687,0.009038105681584538,0.15911991981358373
EOS-2-23523,COCn1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)n1,IBHMMQXFHLISKZ-UHFFFAOYSA-N,2,1,0.32,25,508,466.469,1.906,6,0.357,0.7,1.0,0.14412137619080254,0.10875711054759783,0.02905044205332054,0.035038722500171336,0.07924191282297305
EOS-2-23524,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnn(C)c6)n5)n34)nn2)cn1,IRVNOONSAQJNIA-UHFFFAOYSA-N,2,1,0.355,92,549,466.469,1.751,6,0.356,0.65,0.929,0.22999623055308066,0.11192687272976493,0.08582345281337811,0.055136728120074016,0.12072082105407443
EOS-2-23525,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)nn5C)n34)cc2)n1,RCHITVUYCMEQEO-UHFFFAOYSA-N,2,1,0.449,56,614,466.469,1.751,6,0.356,0.67,1.0,0.3404495922143787,0.28114933863340413,0.0172452196559523,0.013304434240285106,0.16303714618600507
EOS-2-23526,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cc2)s1,IGJBIDZZYDGZEA-UHFFFAOYSA-N,2,1,0.605,91,660,466.473,4.218,5,0.355,0.67,1.0,0.8745630868343499,0.8659961620176821,0.6040196011239806,0.5432972380234391,0.7219690219998629
EOS-2-23527,COc1cc(-c2nnc3cncc(OCc4csc(F)n4)n23)ccc1-c1cnc(C)c(F)c1,FLGAWVWXOPKQDZ-UHFFFAOYSA-N,2,1,0.517,4,83,466.473,4.484,5,0.365,0.66,1.0,0.7424011376876156,0.7659601809334521,0.7131964909875951,0.5753461037625934,0.699225978342814
EOS-2-23528,COc1ccccc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)sn1,NYICZKQZYJKARF-UHFFFAOYSA-N,2,1,0.462,1,430,466.473,4.835,5,0.339,0.68,0.999,0.6479593585086697,0.6152080049345487,0.7290281680487972,0.5941162360359126,0.646577941881982
EOS-2-23529,COc1cc(-c2nnc3cncc(OCCc4nccs4)n23)ccc1-c1cnc(F)c(F)c1,GOWZMFZPKHXUDJ-UHFFFAOYSA-N,2,1,0.602,11,103,466.473,4.218,5,0.332,0.58,1.0,0.9032622849701871,0.7702008087177027,0.6515146323075869,0.5691950517442259,0.7235431944349257
EOS-2-23530,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1-c1nccs1,VXLWSVFUQOZFOQ-UHFFFAOYSA-N,2,1,0.473,49,703,466.473,4.218,5,0.355,0.7,0.998,0.6876927558083751,0.6384672058118018,0.5420121993009389,0.4841683229387979,0.5880851209649784
EOS-2-23531,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5F)n34)cc2)o1,AFYXUVKUZONYIG-UHFFFAOYSA-N,2,1,0.495,77,603,466.476,5.264,6,0.333,0.69,1.0,0.7392056747309985,0.6102648893153314,0.8426512918922624,0.77532382975807,0.7418614214241656
EOS-2-23532,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)c(F)c1,VLUXILVMYJQOAH-UHFFFAOYSA-N,2,1,0.5,77,247,466.48,4.096,6,0.367,0.7,1.0,0.4980553080666164,0.47952504968816395,0.6600644232746213,0.5909893084778288,0.5571585223768076
EOS-2-23533,CCn1c(C)nnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)c(F)c1,MYYSHPWFAJCPPH-UHFFFAOYSA-N,2,1,0.31,9,98,466.48,4.839,6,0.358,0.67,1.0,0.28667500514015487,0.3313001165101775,0.3303406209307107,0.3577804811184977,0.3265240559248852
EOS-2-23534,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cc2F)cn1,MWQBMINADOKEKH-UHFFFAOYSA-N,2,1,0.523,77,933,466.48,4.096,6,0.367,0.76,1.0,0.5208176273045028,0.48356863820163115,0.7559540127475841,0.6822870262490577,0.6106568261256939
EOS-2-23535,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)ccc1F,OHVXSIMOVUCGGK-UHFFFAOYSA-N,2,1,0.517,97,247,466.48,4.096,6,0.367,0.64,1.0,0.6602357617709547,0.5708998697827428,0.7106521143170448,0.6386642450825851,0.6451129977383319
EOS-2-23536,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5c(C)nn(C)c5-c5ccc(F)cc5)n34)cc2)o1,FTEKTGMFSMOHBG-UHFFFAOYSA-N,2,1,0.39,9,598,466.48,4.665,6,0.372,0.61,1.0,0.14983551504351997,0.32216777465560964,0.35658111164416423,0.37075937221574945,0.29983594338976083
EOS-2-23537,Cn1cnc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,OLZXBMPTLLTODC-UHFFFAOYSA-N,2,1,0.478,77,763,466.48,4.3,6,0.393,0.63,1.0,0.6906312110204921,0.6431704475361524,0.6008669727914467,0.5878538139949284,0.6306306113357549
EOS-2-23538,CCn1cc(-c2nnc3cncc(-c4ccc(-c5n[nH]c(C)n5)cn4)n23)c(-c2ccc(F)cc2)n1,CRQHDCKUGDGHPQ-UHFFFAOYSA-N,2,1,0.31,98,314,466.484,3.969,6,0.409,0.65,1.0,0.16332842162977176,0.29701528339387295,0.19678226303885957,0.23239496950174765,0.222380234391063
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EOS-2-23549,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccsn6)cn5)n34)cn2)cn1,QLOMVHOOPZGWJE-UHFFFAOYSA-N,2,1,0.4,80,277,466.49,3.136,6,0.361,0.7,1.0,0.37030532520046605,0.4035278596395038,0.14249366047563566,0.1260108971283668,0.2605844356109931
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EOS-2-23586,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)nc1,NCQQZIMJKODUJD-UHFFFAOYSA-N,2,1,0.338,69,894,433.5,5.039,6,0.387,0.8,1.0,0.041403947638955524,0.09593242409704612,0.6159961620176821,0.6502809951339867,0.35090338222191764
EOS-2-23587,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)c1,YWJUNOSNWOOKBW-UHFFFAOYSA-N,2,1,0.31,38,170,433.5,5.039,6,0.387,0.74,1.0,0.11113871564663148,0.17411417997395656,0.6459632650263861,0.6585737783565211,0.3974474847508738
EOS-2-23588,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)cc2)c1,UFVIPUXVAIOXQK-UHFFFAOYSA-N,2,1,0.319,69,894,433.5,5.039,6,0.387,0.68,1.0,0.0842814063463779,0.16559865670618876,0.6365567815776849,0.6645106572544719,0.38773687547118085
EOS-2-23589,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)s5)n34)cc2)nc1,QDPCFCIJLQLUBS-UHFFFAOYSA-N,2,1,0.329,69,57,433.5,5.039,6,0.387,0.7,1.0,0.044333835926255914,0.1389212528270852,0.4763210198067302,0.5130816941950518,0.2931644506887808
EOS-2-23590,c1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)nn2)cc1,GGMDJFPQKPSWNO-UHFFFAOYSA-N,2,1,0.394,93,220,433.5,5.039,6,0.387,0.8,1.0,0.13851004043588513,0.18687033102597492,0.4484271126036598,0.5298043314371873,0.3259029538756768
EOS-2-23591,c1ccc(-c2ccc(-c3nnc4cncc(-c5csc(-c6ccccn6)n5)n34)nc2)cc1,SSSGCFBUGYSCTG-UHFFFAOYSA-N,2,1,0.337,30,93,433.5,5.039,6,0.387,0.79,1.0,0.03843979165238846,0.13513467205811802,0.3528630662737304,0.43425741895689124,0.24017373723528201
EOS-2-23592,c1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccs6)ncn5)n34)cn2)cc1,POJGDRYDUCEGLM-UHFFFAOYSA-N,2,1,0.319,32,126,433.5,5.039,6,0.387,0.76,1.0,0.10873140977314782,0.17412274689877322,0.48012473442533066,0.529812898362004,0.3231979473648139
EOS-2-23593,c1cc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ccsc6)n5)n34)cc2)ccn1,LFICGIZSWFCJAW-UHFFFAOYSA-N,2,1,0.338,42,818,433.5,5.039,6,0.387,0.76,1.0,0.1276900143924337,0.19093962031389214,0.5487543691316565,0.5785501336440272,0.3614835343705024
EOS-2-23594,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncs6)cc5)n34)cc2)ccn1,PGXFNRKAMOUKAL-UHFFFAOYSA-N,2,1,0.353,69,894,433.5,5.039,6,0.387,0.69,1.0,0.09636933726269618,0.1783633746830238,0.6515317661572202,0.6731032828455897,0.3998419402371325
EOS-2-23595,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)cc2)cn1,NGSZRGXZOJFBMB-UHFFFAOYSA-N,2,1,0.333,69,645,433.5,5.039,6,0.387,0.75,1.0,0.09860530463984649,0.18249263244465766,0.7158436707559455,0.7183966143513124,0.4288345555479405
EOS-2-23596,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)cn1,XNXPZVUNSAJSDR-UHFFFAOYSA-N,2,1,0.314,69,645,433.5,5.039,6,0.387,0.7,1.0,0.08000651086286066,0.18250119936947434,0.7031389212528271,0.7074309505859776,0.4182693955177849
EOS-2-23597,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)cc5)n34)cc2)cn1,DXNQKGUWKRVYRS-UHFFFAOYSA-N,2,1,0.354,69,30,433.5,5.039,6,0.387,0.68,1.0,0.1220187101637996,0.15787129052155438,0.689834487012542,0.6991038996641765,0.41720709684051815
EOS-2-23598,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cc2)cn1,QCMQINIAOYEPHX-UHFFFAOYSA-N,2,1,0.319,42,170,433.5,5.039,6,0.387,0.74,1.0,0.09385066136659585,0.1461860050716195,0.6843259543554245,0.6937324378041259,0.40452376464944145
EOS-2-23599,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)c1,TUDOTPHEFPTRGU-UHFFFAOYSA-N,2,1,0.333,69,818,433.5,5.039,6,0.387,0.69,1.0,0.06777294222465903,0.15009252278802002,0.6219416078404496,0.6327445000342677,0.3681378932218491
EOS-2-23600,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)s5)n34)nc2)cc1,JPIOLSJCEPTFFF-UHFFFAOYSA-N,2,1,0.288,30,301,433.5,5.039,6,0.387,0.75,0.999,0.06980330340620931,0.12839250222740045,0.3903005277225687,0.4594955794667946,0.2619979782057433
EOS-2-23601,c1ccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)ccn2)nc1,RUPGFPNKVVLFEK-UHFFFAOYSA-N,2,1,0.324,32,368,433.5,5.039,6,0.387,0.69,1.0,0.14413851004043587,0.17413131382358987,0.49367760948529915,0.5163713933246522,0.3320797066684943
EOS-2-23602,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)cc1,LJTGYGWDXFKDAY-UHFFFAOYSA-N,2,1,0.362,93,641,433.5,5.039,6,0.387,0.73,1.0,0.06060242615310808,0.1315451305599342,0.345058597765746,0.4402799671030087,0.24437153039544923
EOS-2-23603,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)s5)n34)cc2)cc1,MLJAGLSTQUAQNO-UHFFFAOYSA-N,2,1,0.388,93,651,433.5,5.039,6,0.387,0.67,0.999,0.1087399766979645,0.16952230827222262,0.5251096566376533,0.5941248029607292,0.34937418614214244
EOS-2-23604,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cc2)nc1,WCXQYOHKEDILRM-UHFFFAOYSA-N,2,1,0.333,69,867,433.5,5.039,6,0.387,0.73,1.0,0.13065417037900076,0.19553149201562606,0.6008755397162634,0.5968662189020629,0.38098185525323824
EOS-2-23605,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnccn5)s4)n23)cc1,JELAJWIITPSIHN-UHFFFAOYSA-N,2,1,0.353,32,371,433.5,5.039,6,0.387,0.75,0.997,0.08214824206702762,0.13155369748475088,0.4114779658693715,0.47196045507504625,0.27428509012404906
EOS-2-23606,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ccsc6)c5)n34)cc2)nc1,FINOTYASZZPYPN-UHFFFAOYSA-N,2,1,0.319,42,608,433.5,5.039,6,0.387,0.73,1.0,0.1828610102117744,0.1656072236310054,0.5754489068603934,0.5692036186690426,0.37328018984305394
EOS-2-23607,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)cn5)n34)cc2)ccn1,SYEWUYUSNUYMEZ-UHFFFAOYSA-N,2,1,0.364,41,818,433.5,5.039,6,0.387,0.66,1.0,0.07568878075526009,0.15010108971283667,0.6818415461585909,0.6937410047289425,0.40034310533890755
EOS-2-23608,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)nc1,RGLCMXCWSXUEOI-UHFFFAOYSA-N,2,1,0.333,69,898,433.5,5.039,6,0.387,0.7,1.0,0.11688712219861558,0.182509766294291,0.5879052155438284,0.584872524158728,0.36804365704886577
EOS-2-23609,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)cn5)n34)cn2)cc1,XVGHSGLRTKROPQ-UHFFFAOYSA-N,2,1,0.343,32,20,433.5,5.039,6,0.387,0.71,1.0,0.10124391748338017,0.11492529641559866,0.5723219793023097,0.612389486669865,0.3502201699677884
EOS-2-23610,c1cnc(-c2ccncc2)c(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)c1,KJBVUVBCHJTAGP-UHFFFAOYSA-N,2,1,0.333,69,174,433.5,5.039,6,0.387,0.67,1.0,0.07367555342334316,0.14619457199643615,0.5754574737852101,0.602768830100747,0.3495241073264341
EOS-2-23611,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cccs6)cn5)n34)cn2)cc1,HJHZYQZDLBAUDP-UHFFFAOYSA-N,2,1,0.409,41,20,466.501,5.908,6,0.314,0.75,1.0,0.7392142416558152,0.7916181207593722,0.7899133027208554,0.7823058734836543,0.7757628846549243
EOS-2-23612,CCn1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)c4)n23)n1,RSTZYXCXWDGANV-UHFFFAOYSA-N,2,1,0.468,15,224,433.497,3.719,5,0.386,0.77,1.0,0.15524124460283736,0.2405249811527654,0.16732917551915563,0.08387876087999452,0.16174354053868822
EOS-2-23613,COc1cc(-c2nnc3cncc(OCc4ccsc4)n23)ccc1-c1nc(C)nn1C,VQVRNPBRNJCEAN-UHFFFAOYSA-N,2,1,0.506,16,375,433.497,3.544,5,0.404,0.77,1.0,0.3332105407442944,0.17837194160784045,0.16733774244397231,0.09316530738126243,0.1930213830443424
EOS-2-23614,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1OC,IFANXDKJPQFPKQ-UHFFFAOYSA-N,2,1,0.489,16,248,433.497,3.719,5,0.386,0.67,1.0,0.3610873140977315,0.16953087519703927,0.27912754437667053,0.1592505654170379,0.2422490747721198
EOS-2-23615,COc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1ncnn1C,VQRKKYGDFOADSC-UHFFFAOYSA-N,2,1,0.529,15,771,433.497,3.278,5,0.389,0.74,1.0,0.3994757042012199,0.18687889795079157,0.21102049208416146,0.13014872181481735,0.2318809540127476
EOS-2-23616,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1cnn(C)c1,JQDKKIINNQHQAK-UHFFFAOYSA-N,2,1,0.511,4,248,433.497,3.544,5,0.404,0.66,1.0,0.2109862243848948,0.24546809677198272,0.24996573230073332,0.12813549448290043,0.2086388869851278
EOS-2-23617,c1c[nH]c(COCCOCc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)c1,JFHZRQWVZWYRSB-UHFFFAOYSA-N,2,1,0.35,75,767,433.497,3.371,5,0.356,0.64,0.999,0.1885751490644918,0.03566410801178809,0.27913611130148724,0.24416592419984923,0.1868853231444041
EOS-2-23618,COc1cc(-c2nnc3cncc(OCc4sncc4C)n23)ccc1-c1cn(C)cn1,AURGPMFTLBYGAR-UHFFFAOYSA-N,2,1,0.494,16,248,433.497,3.544,5,0.404,0.66,1.0,0.3818621067781509,0.25038551161675004,0.23206942635871428,0.12814406140771709,0.24811527654033308
EOS-2-23619,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ncc(-c6ccccc6)cc5F)n34)nc2)s1,RJIKVBJLBHGQON-UHFFFAOYSA-N,2,1,0.289,30,301,466.505,4.881,6,0.365,0.69,0.911,0.15524981152765405,0.28115790555822084,0.33034918785552736,0.41507607429237203,0.29545824480844357
EOS-2-23620,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccccn5)s4)n23)c(-c2ccc(F)cn2)n1,JKWNTCFTJGBFEG-UHFFFAOYSA-N,2,1,0.298,76,368,466.505,4.881,6,0.365,0.61,0.963,0.23838324994859844,0.34624940031526286,0.337579672400795,0.3903090946473854,0.3281303543280104
EOS-2-23621,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)n2)s1,AIQHVVQCSDIKHC-UHFFFAOYSA-N,2,1,0.344,32,750,466.505,4.881,6,0.365,0.63,0.998,0.15256836406003702,0.3605989993831814,0.297503598108423,0.3931790144609691,0.3009624940031526
EOS-2-23622,Cc1cc(-c2cncs2)ccc1-c1cncc2nnc(-c3ncc(-c4cnccn4)cc3F)n12,UCGNOOFNPZQIPZ-UHFFFAOYSA-N,2,1,0.268,42,596,466.505,4.881,6,0.365,0.63,1.0,0.18568809540127476,0.30179562744157357,0.5687410047289425,0.5753632376122267,0.40789699129600443
EOS-2-23623,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)s2)nn1,JVFFUARQDPIQRJ-UHFFFAOYSA-N,2,1,0.321,76,750,466.505,4.881,6,0.365,0.61,1.0,0.27540949900623674,0.43098485367692413,0.3978308546364197,0.4531903228017271,0.38935388253032693
EOS-2-23624,Cc1ncnc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3ccc(-c4cncs4)nc3)n12,LMNJRCNUEXDRKG-UHFFFAOYSA-N,2,1,0.325,42,693,466.505,4.881,6,0.365,0.6,0.997,0.24354910561304913,0.3988160509903365,0.4626739085737784,0.5093293811253512,0.4035921115756288
EOS-2-23625,Cc1cnc(-c2sc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cc2F)cn1,PMFPEPWBYBZXLL-UHFFFAOYSA-N,2,1,0.391,86,392,466.505,4.881,6,0.365,0.69,0.983,0.20240216571859365,0.3893410321431019,0.469801590021246,0.4719690219998629,0.3833784524707011
EOS-2-23626,Cc1cnc(-c2ncc(F)cn2)c(-c2nnc3cncc(-c4ccc(-c5nccs5)cc4)n23)c1,DKZKJQPTSFBSFK-UHFFFAOYSA-N,2,1,0.294,42,339,466.505,4.881,6,0.365,0.82,1.0,0.25197895963265027,0.3171903913371256,0.3677095469810157,0.40530121307655403,0.3355450277568364
EOS-2-23627,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c(F)c2)s1,XPEHJIXWMJWYNM-UHFFFAOYSA-N,2,1,0.333,9,171,466.505,4.881,6,0.365,0.66,1.0,0.23272051264478102,0.3559128915084641,0.5911006785004455,0.6091511890891645,0.4472213179357138
EOS-2-23628,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)c(F)c2)nn1,YMHVJDKJDGYMTM-UHFFFAOYSA-N,2,1,0.355,9,340,466.505,4.881,6,0.365,0.7,1.0,0.11939723116989925,0.32663114248509356,0.6190117195531492,0.6327530669590844,0.42444829004180656
EOS-2-23629,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)c(F)c2)n1,JFQUKSVIEVNJGW-UHFFFAOYSA-N,2,1,0.327,32,572,466.505,4.881,6,0.365,0.72,1.0,0.21608354465081214,0.3702967582756494,0.5113254746076349,0.5061510520183675,0.400964207388116
EOS-2-23630,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6F)ns5)n34)cc2)nn1,IPWDAJHOBOELJI-UHFFFAOYSA-N,2,1,0.38,3,641,466.505,4.881,6,0.365,0.67,1.0,0.1687769858131725,0.3893495990679186,0.37155609622369956,0.4469364676855596,0.3441547871975876
EOS-2-23631,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5csc(-c6cccc(F)c6)n5)n34)cc2)nn1,VNRIRIVSXIRKII-UHFFFAOYSA-N,2,1,0.38,3,74,466.505,4.881,6,0.365,0.71,1.0,0.1552583784524707,0.3797803440477006,0.4153673497361387,0.4625625385511617,0.353242152696868
EOS-2-23632,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)cn2)n1,VYXLEEVESAVXEK-UHFFFAOYSA-N,2,1,0.358,32,191,466.505,4.881,6,0.342,0.68,0.999,0.17693269823864025,0.37030532520046605,0.4834487012541978,0.46884209444177916,0.3748822047837709
EOS-2-23633,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cc2)s1,QSZUIBAHWXNSLD-UHFFFAOYSA-N,2,1,0.351,9,867,466.505,4.881,6,0.365,0.69,1.0,0.21341923103282845,0.30693578233157426,0.43394044273867455,0.44694503461037627,0.35031012267836337
EOS-2-23634,Cc1nc(-c2ncc(F)cn2)c(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)s1,ZQIVCVZCVXPKMA-UHFFFAOYSA-N,2,1,0.305,30,945,466.505,4.881,6,0.365,0.64,1.0,0.19141080117880885,0.3018041943663902,0.20380714138852718,0.30398876019464055,0.2502527242820917
EOS-2-23635,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)c2)s1,IPUYFZHKKNMVIF-UHFFFAOYSA-N,2,1,0.322,30,598,466.505,4.881,6,0.342,0.63,1.0,0.12202727708861627,0.27622335686382016,0.48720958124871494,0.5061596189431842,0.3479049585360839
EOS-2-23636,Cc1ccc(-c2nnc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)s2)cn1,SFMZIQDXXJUAFJ-UHFFFAOYSA-N,2,1,0.329,3,641,466.505,4.881,6,0.365,0.73,0.999,0.14670858748543622,0.36530224110753207,0.36404290315948185,0.4434754300596258,0.329882290453019
EOS-2-23637,Cc1cc(-n2ccnc2CCCO)ccc1COc1cncc2nnc(-c3ccc(C#N)nc3)n12,CJVYLIMFDLWFEM-UHFFFAOYSA-N,2,1,0.422,89,205,466.505,3.056,5,0.37,0.72,0.997,0.4218353779727229,0.2811664724830375,0.3829329723802344,0.30076759646357343,0.34667560482489207
EOS-2-23638,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)cc2)s1,UESOZBWZAQYGNS-UHFFFAOYSA-N,2,1,0.312,32,339,466.505,4.881,6,0.365,0.74,1.0,0.13066273730381742,0.2503940785415667,0.44492324035364267,0.47490747721198,0.3252218833527517
EOS-2-23639,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnc7ccccc7c6)cc5)n34)nn2)cc1,DWFDFHQPNIEIGY-UHFFFAOYSA-N,2,1,0.315,93,991,466.508,5.254,7,0.352,0.81,1.0,0.015848810910835447,0.07962956617092729,0.6160047289424988,0.6963796175724762,0.35196568089918445
EOS-2-23640,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc7ccccn67)n5)n34)cc2)cc1,UENUKPPREGHXMQ-UHFFFAOYSA-N,2,1,0.356,93,993,466.508,5.23,7,0.353,0.68,1.0,0.14414707696525256,0.12126482077993284,0.49037077650606536,0.6060585292303474,0.3404603008703996
EOS-2-23641,Fc1cc(CCOc2cncc3nnc(-c4ccc(C5CC5)cc4)n23)ccc1Oc1ccccc1,FNLYBGQPCBFJHL-UHFFFAOYSA-N,2,1,0.619,79,590,466.516,6.222,6,0.272,0.75,1.0,0.9511770954698101,0.9466280583921596,0.8700397505311493,0.865739154273182,0.9083960146665753
EOS-2-23642,Fc1ccc(-c2sccc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1F,NFCRXLULGAWWPE-UHFFFAOYSA-N,2,1,0.375,21,107,466.516,7.132,6,0.278,0.79,1.0,0.38430368035090123,0.520269344116236,0.9641816873415119,0.9745390994448633,0.7108234528133781
EOS-2-23643,Cc1nnsc1-c1nsc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)n1,VSHGOLDYOFTEPH-UHFFFAOYSA-N,2,1,0.531,36,926,433.482,2.92,5,0.411,0.76,1.0,0.372601261051333,0.49778116647248305,0.024612774998286614,0.04712665341648962,0.23553046398464808
EOS-2-23644,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)c2)cn1,WQBDLWOCXSOLFD-UHFFFAOYSA-N,2,1,0.311,9,642,433.479,3.654,6,0.421,0.61,1.0,0.0677815091494757,0.04606435473922281,0.43762422040984167,0.4087451168528545,0.24005380028784867
EOS-2-23645,Cn1cc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccccc6)ncn5C)n34)nc2)cn1,LRXVDKIBURVCLE-UHFFFAOYSA-N,2,1,0.266,30,714,433.479,3.654,6,0.421,0.74,1.0,0.019481187033102598,0.015429031594818723,0.25704201219930095,0.27369611404290317,0.14141208621753137
EOS-2-23646,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)n[nH]1,KAYLPHUQTKJCDB-UHFFFAOYSA-N,2,1,0.299,38,42,433.479,3.952,6,0.452,0.65,1.0,0.1333613186210678,0.092582756493729,0.3903090946473854,0.332191076691111,0.2371110616133233
EOS-2-23647,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4c(-c5ccccc5)ncn4C)n23)nc1,NMOLWQMWQKCICZ-UHFFFAOYSA-N,2,1,0.282,70,945,433.479,3.654,6,0.421,0.74,0.997,0.05872626961825783,0.029624426016037285,0.16734630936878897,0.19452916181207594,0.11255654170379001
EOS-2-23648,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)n1C,ONFMIXLJPMVLJY-UHFFFAOYSA-N,2,1,0.338,3,668,433.479,3.748,6,0.421,0.7,1.0,0.010314577479268042,0.02963299294085395,0.21102905900897814,0.2353334247138647,0.12157751353574121
EOS-2-23649,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cc2)cn1,OVPJMMBOUPLVJU-UHFFFAOYSA-N,2,1,0.316,9,642,433.479,3.654,6,0.421,0.72,1.0,0.057081420053457614,0.05723562470015763,0.44843567952847646,0.4150846412171887,0.2444593413748201
EOS-2-23650,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)cn1,QTWMHHMMFPXDDB-UHFFFAOYSA-N,2,1,0.319,38,42,433.479,3.654,6,0.421,0.75,1.0,0.07569734768007676,0.04607292166403948,0.4339490096634912,0.36131005414296485,0.22925733328764308
EOS-2-23651,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cc5)n34)cc2)n[nH]1,AFADBQBOPAXTDU-UHFFFAOYSA-N,2,1,0.293,9,98,433.479,3.952,6,0.452,0.79,1.0,0.08428997327119457,0.07611712699609348,0.4449318072784593,0.39031766157220205,0.24891414227948735
EOS-2-23652,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)nc2)cn1,HSRQOXARWLPDNF-UHFFFAOYSA-N,2,1,0.306,38,714,433.479,3.654,6,0.421,0.74,1.0,0.0717993968884929,0.032657117401137685,0.48721814817353165,0.4119919813583716,0.25091666095538345
EOS-2-23653,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)nn1C,MZPRDCXTXFXOIK-UHFFFAOYSA-N,2,1,0.293,9,537,433.479,3.952,6,0.452,0.71,1.0,0.09385922829141251,0.08956719895826194,0.4048043314371873,0.3515523267767802,0.2349457713659105
EOS-2-23654,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cnn(C)c6)c5)n34)cc2)n[nH]1,YQAVYAHARDXCEE-UHFFFAOYSA-N,2,1,0.272,42,725,433.479,3.952,6,0.452,0.66,1.0,0.08429854019601124,0.07612569392091015,0.5420293331505722,0.4719775889246796,0.2936077890480433
EOS-2-23655,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)c5)n34)cc2)cn1,CUFRIIMWYZBTJP-UHFFFAOYSA-N,2,1,0.324,9,642,433.479,3.654,6,0.421,0.74,1.0,0.055145295044890685,0.042380577068055654,0.43395757658830786,0.4087536837776712,0.23505928311973134
EOS-2-23656,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)n1C,QQNDLWCTOKHQAB-UHFFFAOYSA-N,2,1,0.284,10,195,433.479,3.748,6,0.421,0.72,0.998,0.03304262901788774,0.038602563223905144,0.2830254951682544,0.26207079706668496,0.15418537111918307
EOS-2-23657,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnn(C)c5-c5ccccc5)n34)nc2)cn1,SFSVLDKMCNHBDD-UHFFFAOYSA-N,2,1,0.338,98,714,433.479,3.654,6,0.421,0.76,1.0,0.048754369131656504,0.032665684325954354,0.32304160098690976,0.3287985744637105,0.1833150572270578
EOS-2-23658,Cc1cc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccccc6)ncn5C)n34)nc2)n[nH]1,ICGXECHBMPEMHO-UHFFFAOYSA-N,2,1,0.25,30,945,433.479,3.952,6,0.452,0.71,0.001,0.06410629840312522,0.0572441916249743,0.22463333561784662,0.24687307244191625,0.1482142245219656
EOS-2-23659,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cn4)n23)cc1,KSDHPNINAUWOEM-UHFFFAOYSA-N,2,1,0.282,42,369,433.479,3.654,6,0.421,0.8,1.0,0.11415427318209856,0.05344047700637379,0.3009903365088068,0.27089472962785277,0.18486995408128298
EOS-2-23660,Cn1cc(-c2nnc3cncc(-c4cnn(C)c4-c4cccnc4)n23)c(-c2ccccc2)n1,WUXPYIGVBWHCNH-UHFFFAOYSA-N,2,1,0.316,42,945,433.479,3.654,6,0.421,0.71,1.0,0.028168048797203755,0.012721883352751696,0.23207799328353093,0.2737046809677198,0.13666815160030155
EOS-2-23661,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)nc5)n34)cc2)n[nH]1,VYFQEFLZOYWRPT-UHFFFAOYSA-N,2,1,0.275,9,725,433.479,3.952,6,0.452,0.65,1.0,0.06779007607429237,0.0864402714001782,0.4903793434308821,0.41509320814200534,0.2649257247618395
EOS-2-23662,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)nc1,CBXVTOFVWXOFRY-UHFFFAOYSA-N,2,1,0.311,38,42,433.479,3.654,6,0.421,0.7,1.0,0.11689568912343225,0.03861113014872181,0.3715646631485162,0.3165307381262422,0.21090055513672812
EOS-2-23663,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4ccnn4C)cn3)n12,XNSGSRUBENDRAF-UHFFFAOYSA-N,2,1,0.278,30,945,433.479,3.654,6,0.421,0.7,1.0,0.029281749023370572,0.0202522102666027,0.2176170241929957,0.23835754917414845,0.12637713316427934
EOS-2-23664,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n(C)n1,WQQQHCIGGQXWSS-UHFFFAOYSA-N,2,1,0.312,38,193,433.479,3.654,6,0.421,0.67,1.0,0.06779864299910904,0.04608148858885614,0.22839421561236378,0.2410818312658488,0.14583904461654446
EOS-2-23665,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)cn4)n23)cc1,WFIXZJDSMCIUPL-UHFFFAOYSA-N,2,1,0.354,38,42,433.479,3.654,6,0.421,0.72,1.0,0.18002535809745734,0.08305633609759441,0.31572544719347545,0.2737132478925365,0.21313009732026592
EOS-2-23666,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)nc5)n34)cc2)cn1,MVYOPTXIOPCMGW-UHFFFAOYSA-N,2,1,0.314,42,714,433.479,3.654,6,0.421,0.77,1.0,0.06411486532794188,0.07613426084572682,0.5317747241450209,0.4469536015351929,0.2797443629634706
EOS-2-23667,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)c2)nn1,SHBCNSVXFUVKSE-UHFFFAOYSA-N,2,1,0.329,9,764,433.479,3.654,6,0.421,0.73,1.0,0.07570591460489343,0.02247961071893633,0.37555685011308343,0.3515608937015969,0.2063258172846275
EOS-2-23668,Cn1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n(C)n2)n1,PYLMNYNKNOKFLJ-UHFFFAOYSA-N,2,1,0.368,93,74,433.479,3.654,6,0.421,0.73,0.999,0.06576828181755877,0.08644883832499486,0.27567507367555344,0.3226046878212597,0.18762422040984167
EOS-2-23669,Cc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,NVEWZSBHHBGVBN-UHFFFAOYSA-N,2,1,0.305,9,7,433.479,3.952,6,0.452,0.72,1.0,0.1467171544102529,0.07614282777054349,0.4339661435131245,0.37413474059351653,0.25774021657185936
EOS-2-23670,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5C#N)n34)cc2)nn1,SLTVGMSXXCTGIV-UHFFFAOYSA-N,2,1,0.593,91,309,433.475,4.05,5,0.398,0.78,1.0,0.8785638407237338,0.8958690288534028,0.6542646151737372,0.5910064423274621,0.7549259817695839
EOS-2-23671,CCn1cncc1-c1ccnc(-c2nnc3cncc(Oc4ccc5ccccc5c4)n23)c1,KSVAULLNBDKVDY-UHFFFAOYSA-N,2,1,0.495,28,891,433.475,5.015,6,0.38,0.71,0.993,0.39948427112603657,0.2504026454663834,0.5586320334452745,0.5659139195394421,0.44360821739428413
EOS-2-23672,CCn1ccnc1-c1ccc(-c2cncc3nnc(-c4conc4-c4ccccc4)n23)cc1,UXVPVIQKGGMADD-UHFFFAOYSA-N,2,1,0.338,69,220,433.475,4.997,6,0.38,0.67,1.0,0.15526694537728736,0.05344904393119046,0.39031766157220205,0.4182201357000891,0.25431344664519223
EOS-2-23673,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)n1C,GLKVYIHFSRHGMA-UHFFFAOYSA-N,2,1,0.368,93,74,433.475,4.822,6,0.396,0.74,0.998,0.16878555273798918,0.09888801315879651,0.30812658488109107,0.377527242820917,0.23833184839969843
EOS-2-23674,Cc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5occc5C)cc4)n23)n1,NAWKHWHIYIBOSZ-UHFFFAOYSA-N,2,1,0.299,3,289,433.475,4.916,6,0.392,0.61,1.0,0.08001507778767733,0.07257042012199301,0.43397471043794117,0.4120005482831883,0.24964018915769998
EOS-2-23675,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc6ccccc6n5)n34)cc2)n1,IFRPCACINOIWJE-UHFFFAOYSA-N,2,1,0.511,77,891,433.475,4.319,6,0.403,0.78,1.0,0.46336782948392846,0.4221523541909396,0.5453961346035228,0.509337948050168,0.48506356658213967
EOS-2-23676,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(C#N)cc5)nc4)n23)n1,XDRRGOZKPMHZEF-UHFFFAOYSA-N,2,1,0.548,11,848,433.475,4.05,5,0.398,0.75,0.999,0.8897950791583853,0.8511325474607635,0.6040281680487972,0.5495510931396066,0.7236267219518882
EOS-2-23677,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5C#N)n34)ccn2)nc1,FTLOKUHBLPUDIX-UHFFFAOYSA-N,2,1,0.582,89,56,433.475,4.05,5,0.398,0.76,1.0,0.8409207730792955,0.605424576793914,0.6398464807072853,0.5692121855938592,0.6638510040435885
EOS-2-23678,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)o6)cc5)n34)cc2)n[nH]1,QYNATUYIVYXTJX-UHFFFAOYSA-N,2,1,0.289,69,98,433.475,5.12,6,0.414,0.64,1.0,0.20813343842094442,0.19554005894044274,0.6275358097457336,0.5495596600644232,0.395192241792886
EOS-2-23679,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cn6ccccc6n5)n34)cc2)c1,ZJIRSYPMGKTPIJ-UHFFFAOYSA-N,2,1,0.457,40,25,433.475,4.388,6,0.401,0.7,1.0,0.4659122061544788,0.4264700842985402,0.5723305462271263,0.5495682269892399,0.5035702659173462
EOS-2-23680,c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)c1,RQCBMLLJMLIIHK-UHFFFAOYSA-N,2,1,0.489,77,603,433.475,4.551,6,0.416,0.71,1.0,0.6332413816736344,0.4530018504557604,0.7468645055170996,0.6991124665889932,0.6330550510588719
EOS-2-23681,Cc1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)s1,FCNMDPYOXSETIL-UHFFFAOYSA-N,2,1,0.534,28,120,466.526,5.457,6,0.322,0.7,1.0,0.45873312315811116,0.4706497155780961,0.46268247549859504,0.4053097800013707,0.44934377355904326
EOS-2-23682,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)s2)cn1,NYSJTMQMIIBERQ-UHFFFAOYSA-N,2,1,0.518,65,454,433.472,3.774,5,0.402,0.57,1.0,0.5569443492563909,0.4882376122267151,0.4114865327941882,0.344955794667946,0.45040607223631
EOS-2-23683,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cc(F)ncc5C)nc4)n23)n1,XJAIIGRGFOHVRS-UHFFFAOYSA-N,2,1,0.451,4,464,433.472,4.04,5,0.386,0.76,1.0,0.4565656911794942,0.5664536358028922,0.33035775478034407,0.2681276129120691,0.4053761736686999
EOS-2-23684,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)s1,BCDWWKGGVSABSP-UHFFFAOYSA-N,2,1,0.472,75,606,433.472,4.04,5,0.413,0.66,1.0,0.5682698238640258,0.5619560002741416,0.43007675964635733,0.33219964361592763,0.47312555685011304
EOS-2-23685,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5F)n34)c2)cs1,FCKDRHWCJPPHME-UHFFFAOYSA-N,2,1,0.495,87,76,433.472,3.774,5,0.377,0.77,1.0,0.6568603933931876,0.6152165718593654,0.38663388390103487,0.3386248372284285,0.49933392159550405
EOS-2-23686,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cs1,OJFWXHVIYSUWFL-UHFFFAOYSA-N,2,1,0.544,58,904,433.472,3.774,5,0.402,0.78,1.0,0.7484922212322664,0.7785535604139538,0.37937769858131726,0.3354636419710781,0.560471780549654
EOS-2-23687,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4nccs4)n23)n1,DLPJNIGXUFLBIW-UHFFFAOYSA-N,2,1,0.522,44,531,433.472,3.774,5,0.402,0.75,1.0,0.6538791035569872,0.5961037625933795,0.20381570831334384,0.2468816393667329,0.42517005345761083
EOS-2-23688,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ccn2)cs1,MHFSZYBCFIUCBP-UHFFFAOYSA-N,2,1,0.511,58,819,433.472,3.774,5,0.377,0.7,1.0,0.6906397779453087,0.6152251387841821,0.2791446782263039,0.2529041875128504,0.4594784456171612
EOS-2-23689,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)cs1,LOBLEGVSTBHPBV-UHFFFAOYSA-N,2,1,0.562,58,981,433.472,3.774,5,0.402,0.71,1.0,0.7688643684463026,0.7743043657048866,0.35287163319854703,0.3194520594887259,0.5538731067096155
EOS-2-23690,CCc1nc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)cnc1F,DXLDRZWMVJEDKS-UHFFFAOYSA-N,2,1,0.484,16,55,433.472,3.985,5,0.4,0.57,1.0,0.48819477760263175,0.5249040504420533,0.24997429922555,0.24109039819066547,0.3760408813652252
EOS-2-23691,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)cs1,WTCKZDQNSOLPPH-UHFFFAOYSA-N,2,1,0.544,58,56,433.472,3.774,5,0.377,0.79,1.0,0.7180796381330957,0.7952419299568227,0.3565896785689809,0.30720135700089096,0.5442781509149476
EOS-2-23692,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ccn2)ccn1,COORRUGARXRJDG-UHFFFAOYSA-N,2,1,0.512,75,496,433.472,3.796,5,0.386,0.7,1.0,0.5908608046055788,0.46209992461106164,0.34128915084641215,0.3104396545815914,0.42617238366116106
EOS-2-23693,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cs1,UMYSPFNBPBTXKK-UHFFFAOYSA-N,2,1,0.5,87,307,433.472,3.774,5,0.402,0.67,1.0,0.6361627030361181,0.5762027962442602,0.36019635391679805,0.3322082105407443,0.47619251593448014
EOS-2-23694,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ccn2)cs1,WXILSYHPFGJZRX-UHFFFAOYSA-N,2,1,0.528,75,583,433.472,3.774,5,0.402,0.74,1.0,0.6568689603180042,0.6054331437187307,0.2641525597971352,0.25291275443766703,0.4448418545678843
EOS-2-23695,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)s1,MINYFYDSDZGRAO-UHFFFAOYSA-N,2,1,0.527,72,628,433.472,3.774,5,0.402,0.64,1.0,0.6847200328969913,0.682458364745391,0.2641611267219519,0.27372181481735314,0.4762653347954219
EOS-2-23696,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)cs1,DUEYDFSCAIFIMC-UHFFFAOYSA-N,2,1,0.565,75,583,433.472,3.774,5,0.402,0.74,1.0,0.7059488725926941,0.6102734562401481,0.3866424508258515,0.34496436159276267,0.511957285312864
EOS-2-23697,CCc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1nccs1,UBSBEZQVLDCVMN-UHFFFAOYSA-N,2,1,0.446,49,122,433.472,3.985,5,0.374,0.65,0.995,0.5056284696045508,0.5339764238229046,0.18017099581934068,0.17807209923925707,0.34946199712151327
EOS-2-23698,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)s1,MICJVOLMLGVUSA-UHFFFAOYSA-N,2,1,0.506,65,904,433.472,3.774,5,0.402,0.64,1.0,0.6080460557878145,0.5961123295181961,0.38665101775066824,0.34828832842162977,0.48477443286957717
EOS-2-23699,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)s1,PEEVVYKFLDDECO-UHFFFAOYSA-N,2,1,0.545,72,628,433.472,3.774,5,0.402,0.67,1.0,0.7243591940237133,0.6727177712288397,0.3303663217051607,0.33221677746556094,0.5149150161058187
EOS-2-23700,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)s1,VTLARJVBLATZCM-UHFFFAOYSA-N,2,1,0.511,72,628,433.472,3.774,5,0.402,0.66,1.0,0.6509406483448701,0.6629514769378384,0.22133506956342952,0.2383661160989651,0.4433983277362758
EOS-2-23701,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)nc2F)cn1,LSUQSXVLVGEZQB-UHFFFAOYSA-N,2,1,0.435,65,773,433.472,3.774,5,0.377,0.63,1.0,0.69973785210061,0.6535792611884038,0.3866595846754849,0.3288071413885272,0.5171959598382565
EOS-2-23702,Cc1ncc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)s1,ADCCHBJUWWLWTD-UHFFFAOYSA-N,2,1,0.424,18,840,433.472,3.774,5,0.377,0.71,1.0,0.5653827702008087,0.5339849907477212,0.3081351518059077,0.3039973271194572,0.4278750599684737
EOS-2-23703,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)s1,OPGBWHORXLWBJX-UHFFFAOYSA-N,2,1,0.5,72,561,433.472,3.774,5,0.377,0.67,1.0,0.6965338222191763,0.6824669316702077,0.23554759783428142,0.23837468302378179,0.46323075868686175
EOS-2-23704,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4ccsc4)n23)n1,FGDJGHOSTIXQAB-UHFFFAOYSA-N,2,1,0.426,18,531,433.472,3.774,5,0.402,0.66,0.999,0.6602443286957713,0.5431258995271058,0.3230501679117264,0.3194606264135426,0.46147025563703653
EOS-2-23705,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)s1,RDDFZNVJFCZPGP-UHFFFAOYSA-N,2,1,0.612,72,393,433.472,3.774,5,0.402,0.76,1.0,0.7660115824823521,0.7916266876841889,0.3450671646905627,0.3449729285175793,0.5619195908436707
EOS-2-23706,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)cs1,YASIYEZVJOFVON-UHFFFAOYSA-N,2,1,0.527,58,699,433.472,3.774,5,0.402,0.79,1.0,0.6449181001987526,0.7573504214927009,0.2570505791241176,0.24417449112466588,0.47587339798505923
EOS-2-23707,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)cnc1F,HMSGXUYELDRCOY-UHFFFAOYSA-N,2,1,0.505,65,981,433.472,3.774,5,0.402,0.59,1.0,0.7304931121924474,0.8039116578712905,0.30099890343362345,0.26503495305325203,0.5251096566376533
EOS-2-23708,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)s1,VZYBAHGKKAPYJH-UHFFFAOYSA-N,2,1,0.511,87,699,433.472,3.774,5,0.402,0.63,1.0,0.6449266671235693,0.7613083407580015,0.2679305736412857,0.25292132136248374,0.48177172572133503
EOS-2-23709,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)c(F)n2)nn1,KJKLOEITMUFSCY-UHFFFAOYSA-N,2,1,0.588,58,24,433.472,3.774,5,0.377,0.67,1.0,0.8337074223836611,0.8511411143855802,0.2536837776711672,0.24418305804948257,0.5456788431224727
EOS-2-23710,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)s1,IMKYOMQQTMQBBS-UHFFFAOYSA-N,2,1,0.563,72,628,433.472,3.774,5,0.402,0.66,1.0,0.7362072510451648,0.6727263381536563,0.3118788979507916,0.31345521211705846,0.5085669248166678
EOS-2-23711,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)ncn2)s1,TZKLCWBPJURBAL-UHFFFAOYSA-N,2,1,0.571,44,130,433.472,3.774,5,0.402,0.72,1.0,0.6934839969844425,0.5867401137687616,0.36405147008429856,0.35446508121444725,0.4996851655129874
EOS-2-23712,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)cs1,QIYKQJUXGCVVFF-UHFFFAOYSA-N,2,1,0.545,75,583,433.472,3.774,5,0.402,0.7,0.998,0.684728599821808,0.6152337057089987,0.30814371873072444,0.28861969707353846,0.4741814303337674
EOS-2-23713,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5F)n34)c2)s1,AISXVESWLNHWDD-UHFFFAOYSA-N,2,1,0.548,72,628,433.472,3.774,5,0.377,0.67,1.0,0.7717428551847029,0.7442687272976493,0.2866064697416216,0.2767716400520869,0.5198474230690151
EOS-2-23714,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)sc1F,OWBMOLUZOOGPPY-UHFFFAOYSA-N,2,1,0.59,75,583,433.472,3.774,5,0.402,0.68,1.0,0.6695394421218559,0.5480176135974231,0.25369234459598383,0.2264238229045302,0.4244183058049482
EOS-2-23715,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)cn2)cs1,MPDSVVKOSXRPCL-UHFFFAOYSA-N,2,1,0.472,24,786,433.472,4.04,5,0.413,0.73,1.0,0.6538876704818039,0.6629600438626551,0.4114950997190049,0.3134637790418751,0.5104516482763347
EOS-2-23716,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cs1,RZHAKBFTGZVYDL-UHFFFAOYSA-N,2,1,0.5,87,904,433.472,3.774,5,0.402,0.71,1.0,0.6303714618600507,0.6102820231649647,0.444940374203276,0.39318758138578574,0.5196953601535192
EOS-2-23717,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccn2)s1,ODIYSOSSEMPBDE-UHFFFAOYSA-N,2,1,0.536,75,496,433.472,3.774,5,0.377,0.69,1.0,0.7180882050579124,0.672734905078473,0.3793862655061339,0.3256716469056268,0.5239702556370366
EOS-2-23718,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)s1,HRLZLNMFRLYEMB-UHFFFAOYSA-N,2,1,0.558,75,496,433.472,3.774,5,0.402,0.68,1.0,0.6847371667466247,0.6431790144609691,0.4012319237886368,0.3544736481392639,0.5209054382838737
EOS-2-23719,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)s1,FSVYBZUWCDNLRK-UHFFFAOYSA-N,2,1,0.457,18,840,433.472,3.774,5,0.402,0.66,1.0,0.5938420944417792,0.502218833527517,0.4012404907134535,0.3544822150640806,0.4629459084367076
EOS-2-23720,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)cc2F)nn1,MQYHSYMNNJPSRV-UHFFFAOYSA-N,2,1,0.619,72,563,433.472,3.774,5,0.402,0.73,1.0,0.7744414365019533,0.7871975875539716,0.3010074703584401,0.3007761633883901,0.5408556644506888
EOS-2-23721,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)s1,DMULNSMCLFSMQY-UHFFFAOYSA-N,2,1,0.545,72,628,433.472,3.774,5,0.402,0.7,1.0,0.7089215955040779,0.6629686107874717,0.33758823932561166,0.32881570831334384,0.5095735384826263
EOS-2-23722,COc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cccc(C#N)c4)n23)cc1,YDNKNOXMJZKQGR-UHFFFAOYSA-N,2,1,0.575,79,347,433.471,4.918,5,0.378,0.83,1.0,0.8745716537591666,0.7486635597285998,0.9109553834555548,0.8574977725995476,0.8479220923857171
EOS-2-23724,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)cs4)n23)nc1,UFMSWTZGYIPYDU-UHFFFAOYSA-N,2,1,0.404,28,363,466.53,4.289,6,0.361,0.75,1.0,0.3206257281886094,0.23006476595161401,0.2607514906449181,0.24419162497429922,0.2639084024398602
EOS-2-23725,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)c2)cn1,JBZSJPZRZNAUQR-UHFFFAOYSA-N,2,1,0.524,40,78,466.53,4.289,6,0.361,0.66,1.0,0.46096909053526147,0.312178740319375,0.5619645671989583,0.4656209307107121,0.45018333219107665
EOS-2-23726,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cc2)n[nH]1,LXKQIGOLIZHIPM-UHFFFAOYSA-N,2,1,0.516,40,763,466.53,4.587,6,0.383,0.62,1.0,0.442567336029059,0.47065828250291275,0.4522051264478103,0.3707679391405661,0.43404967103008707
EOS-2-23727,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cccs6)cn5)n34)cc2)n[nH]1,CFDURFAGYUMSGG-UHFFFAOYSA-N,2,1,0.404,40,518,466.53,4.587,6,0.383,0.69,1.0,0.5736412857240765,0.5202779110410527,0.35659824549379754,0.3072099239257076,0.43943184154615855
EOS-2-23728,COc1nn(C)cc1-c1nc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cs1,DBZNLMLIOYMETH-UHFFFAOYSA-N,2,1,0.296,30,301,466.53,4.386,6,0.372,0.69,0.979,0.1412343225275855,0.1284010691522171,0.17038756767870605,0.16448495648002193,0.15112697895963265
EOS-2-23729,COc1nc(-c2cncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,ZCNQUZAJYOYIQI-UHFFFAOYSA-N,2,1,0.318,38,193,466.53,4.386,6,0.372,0.63,1.0,0.3256116784319101,0.13892981975190186,0.36771811390583237,0.2767802069769036,0.277259954766637
EOS-2-23730,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cc2)cs1,ZQFVVSVCZCMIIT-UHFFFAOYSA-N,2,1,0.583,40,2,466.53,4.383,6,0.359,0.75,1.0,0.36109588102254814,0.2454766636967994,0.3602049208416147,0.27971866218902064,0.3116240319374957
EOS-2-23731,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5ccncc5)n4)n23)cc1,CRTLNBDHUPUEFZ-UHFFFAOYSA-N,2,1,0.5,40,667,466.53,4.289,6,0.361,0.76,1.0,0.39086594476046876,0.33131725035981086,0.37157323007333287,0.3072184908505243,0.3502437290110342
EOS-2-23732,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)ns5)n34)cc2)n1,WGQOHHPFIXXZQX-UHFFFAOYSA-N,2,1,0.464,77,857,466.53,4.289,6,0.361,0.67,1.0,0.4058751970392708,0.35592145843328077,0.1967993968884929,0.20014906449181002,0.2896862792132136
EOS-2-23733,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n(-c2nccs2)n1,LUGZPSFMSYPFIB-UHFFFAOYSA-N,2,1,0.473,81,120,466.53,4.383,6,0.359,0.67,1.0,0.28395072304845453,0.23007333287643067,0.17384860530463986,0.169924953738606,0.21444940374203275
EOS-2-23734,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cc2)s1,OZEVCBLDORGPOL-UHFFFAOYSA-N,2,1,0.517,81,932,466.53,4.383,6,0.359,0.63,1.0,0.33570351586594477,0.3069443492563909,0.3081522856555411,0.2650435199780687,0.30396091768898637
EOS-2-23735,Cn1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1-c1cncs1,JMYPVLMKGOHZIH-UHFFFAOYSA-N,2,1,0.5,40,120,466.53,4.289,6,0.361,0.7,1.0,0.26768213282160236,0.2603574121033514,0.30816085258035775,0.2856298403125214,0.2804575594544582
EOS-2-23736,COc1ccc(-c2nncn2C)cc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,BBPGVUWZWNNRKV-UHFFFAOYSA-N,2,1,0.37,9,642,466.53,4.386,6,0.372,0.72,1.0,0.18286957713659105,0.061065040093208144,0.4190425604824892,0.3482968953464464,0.2528185182646837
EOS-2-23737,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)s4)n23)cc1,QDXULJKELHWTEF-UHFFFAOYSA-N,2,1,0.494,40,2,466.53,4.289,6,0.361,0.7,1.0,0.5290076074292372,0.3266397094099102,0.290127475841272,0.24109896511548215,0.3467184394489754
EOS-2-23738,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccsc6)c5)n34)cn2)cn1,XJUAHSHULGOJRL-UHFFFAOYSA-N,2,1,0.449,80,78,466.53,4.289,6,0.361,0.65,1.0,0.3886985127818518,0.2657802755123021,0.5079843739291344,0.43098485367692413,0.3983620039750531
EOS-2-23739,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cccc(-n6cccn6)c5)n34)c2)s1,WPECQCJYTSCRGD-UHFFFAOYSA-N,2,1,0.462,77,177,466.53,4.383,6,0.359,0.76,1.0,0.2866835720649716,0.26036597902816805,0.3194606264135426,0.2828113220478377,0.28733037488863
EOS-2-23740,c1cc(CCOc2cncc3nnc(-c4ccc(-c5nc(-c6ccsc6)c[nH]5)nc4)n23)ccn1,WFFUXWPBVCGQRQ-UHFFFAOYSA-N,2,1,0.529,35,393,466.53,4.321,6,0.373,0.63,1.0,0.5338736207251045,0.4977897333972997,0.3640600370091152,0.32568021383044343,0.4303509012404907
EOS-2-23741,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccs5)n4)n23)cc1,YVEBHEZTUPMBKC-UHFFFAOYSA-N,2,1,0.495,40,25,466.53,4.289,6,0.361,0.68,1.0,0.5208261942293194,0.4035364265643205,0.31946919333835927,0.26813617983688576,0.37799199849222126
EOS-2-23742,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cc5)n34)cc2)cs1,AILDWPKJGKLYLY-UHFFFAOYSA-N,2,1,0.517,77,933,466.53,4.383,6,0.359,0.69,1.0,0.345161400863546,0.23487081077376465,0.4557689671715441,0.37077650606538276,0.3516444212185594
EOS-2-23743,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cn1,VRFQPVZDUOGGJM-UHFFFAOYSA-N,2,1,0.489,80,200,466.53,4.289,6,0.361,0.6,1.0,0.4148019326982386,0.3171989582619423,0.34507573161537936,0.2914639161126722,0.34213513467205814
EOS-2-23744,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)nc5)n34)cc2)cn1,DBHFRCNXBAYUFO-UHFFFAOYSA-N,2,1,0.549,40,2,466.53,4.289,6,0.361,0.69,1.0,0.49309505859776576,0.33613186210677815,0.4936861764101158,0.3961260365979028,0.4297597834281406
EOS-2-23745,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cn2)s1,JMRNMEOINLQSMH-UHFFFAOYSA-N,2,1,0.435,28,603,466.53,4.383,6,0.359,0.69,1.0,0.35888561441984784,0.30695291618120757,0.2975121650332397,0.27678877390172024,0.3100348673840039
EOS-2-23746,Cn1c(CO)nnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)nc1,LOLICXRDPGWZFK-UHFFFAOYSA-N,2,1,0.308,38,193,466.53,3.87,6,0.411,0.74,1.0,0.19689363306147625,0.17413988074840656,0.17700980056199025,0.232412103351381,0.1951138544308135
EOS-2-23747,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccs5)n4)n23)cc1,KMRNVZBVDOUSRE-UHFFFAOYSA-N,2,1,0.452,40,355,466.53,4.289,6,0.361,0.75,1.0,0.5466897402508396,0.38434651497498457,0.3755654170379001,0.32261325474607633,0.40730373175245016
EOS-2-23748,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cc1,CUWKFZSWBDNPJG-UHFFFAOYSA-N,2,1,0.568,40,25,466.53,4.289,6,0.361,0.66,1.0,0.42887739017202386,0.2919779316016723,0.39396717154410255,0.3544907819888973,0.36732831882667405
EOS-2-23749,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)nc4)n23)cc1,SRDGQQIOWUNBFJ-UHFFFAOYSA-N,2,1,0.556,40,2,466.53,4.289,6,0.361,0.61,1.0,0.6538962374066205,0.3653108080323487,0.3939757384689192,0.31044822150640805,0.43090775135357406
EOS-2-23750,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3ccc(-c4ccsc4)nc3)n12,PFMVDWSTQJYSDR-UHFFFAOYSA-N,2,1,0.333,42,725,466.53,4.386,6,0.372,0.75,1.0,0.18569666232609142,0.07257898704680968,0.3903262284970187,0.3256887807552601,0.24357266465629498
EOS-2-23751,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4cccs4)cn3)n12,JWMHFLQSLCTESJ-UHFFFAOYSA-N,2,1,0.287,70,179,466.53,4.386,6,0.372,0.7,1.0,0.13613700226166814,0.04959392776368995,0.345084298540196,0.29764923583030634,0.2071161160989651
EOS-2-23752,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)nc1,LDWSIKSDEGEGLX-UHFFFAOYSA-N,2,1,0.548,40,25,466.53,4.289,6,0.361,0.61,1.0,0.3633575491741485,0.30181276129120693,0.4626910424234117,0.37414330751833325,0.3755011651017751
EOS-2-23753,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccs6)cc5)n34)cc2)nn1,YPGXQSMLJBKDAM-UHFFFAOYSA-N,2,1,0.471,77,722,466.53,4.986,6,0.341,0.77,1.0,0.2519875265574669,0.29198649852648895,0.3081694195051744,0.28281988897265437,0.28374083339044615
EOS-2-23754,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)cn2)cn1,UHMLBEIOYOJRHF-UHFFFAOYSA-N,2,1,0.404,6,414,466.53,4.289,6,0.361,0.6,1.0,0.2519960934822836,0.14620313892125283,0.30472551572887396,0.2797272291138373,0.2456629943115619
EOS-2-23755,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,FRQNVNHBHQRYFV-UHFFFAOYSA-N,2,1,0.518,77,755,466.53,4.289,6,0.361,0.7,1.0,0.5518298951408402,0.3509783428140635,0.41150366664382154,0.3741518744431499,0.42211594476046876
EOS-2-23756,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)s2)n1,GZOCLXPFZJMWBY-UHFFFAOYSA-N,2,1,0.467,6,843,466.53,4.289,6,0.361,0.63,1.0,0.4194709067233226,0.3843550818998012,0.34900795010622987,0.29147248303748885,0.3610766054417106
EOS-2-23757,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)ns4)n23)cc1,UYRGZBRKBUNEEG-UHFFFAOYSA-N,2,1,0.464,40,857,466.53,4.289,6,0.361,0.68,1.0,0.43533685148379136,0.317207525186759,0.22464190254266328,0.23242067027619764,0.3024017373723528
EOS-2-23758,Cc1csc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)n1,UWWHLCQGOIJRQA-UHFFFAOYSA-N,2,1,0.371,41,318,466.53,4.811,6,0.36,0.69,1.0,0.3994928380508533,0.2919950654513056,0.3010160372832568,0.21520971831951202,0.30192841477623195
EOS-2-23759,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cc1,WERCPIIIXYBCCJ-UHFFFAOYSA-N,2,1,0.553,40,25,466.53,4.289,6,0.361,0.6,1.0,0.47582413816736346,0.3653193749571654,0.39398430539373586,0.3134723459666918,0.3871500411212391
EOS-2-23760,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)cc2)n[nH]1,JDZUJFQFVFAICD-UHFFFAOYSA-N,2,1,0.447,81,763,466.53,4.587,6,0.383,0.6,1.0,0.5006339524364334,0.4399201562607087,0.3939928723185525,0.3417003632376122,0.4190618360633267
EOS-2-23761,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nc1,DEDCRUZNELYWJW-UHFFFAOYSA-N,2,1,0.547,40,120,466.53,4.289,6,0.361,0.57,1.0,0.3518264683709136,0.2762319237886368,0.4484442464532931,0.3613186210677815,0.35945531492015625
EOS-2-23762,COc1cncc(-c2ccc(-c3cncc4nnc(-c5cn(C)nc5-c5ccccc5)n34)s2)n1,FONBQYHRNSJYNL-UHFFFAOYSA-N,2,1,0.303,76,653,466.53,4.386,6,0.372,0.69,0.996,0.1969021999862929,0.10877424439723117,0.21421595504077856,0.19715064080597627,0.17926076005756975
EOS-2-23763,Cc1nc(-c2ccccc2)sc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,GVMYXELNQLWSSA-UHFFFAOYSA-N,2,1,0.478,12,611,466.53,4.587,6,0.383,0.56,1.0,0.5879309163182784,0.4443235556164759,0.20041463916112673,0.1919333835926256,0.3561506236721267
EOS-2-23764,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cs1,NZPVKXGWNZBQBM-UHFFFAOYSA-N,2,1,0.478,81,2,466.53,4.289,6,0.361,0.68,1.0,0.5624528819135083,0.3559300253580975,0.3081779864299911,0.2914810499623055,0.3795104859159756
EOS-2-23765,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccs5)cn4)n23)cn1,LWQYSPHTCHSRAE-UHFFFAOYSA-N,2,1,0.489,6,843,466.53,4.289,6,0.361,0.71,1.0,0.4681910081557124,0.3361404290315948,0.38666815160030155,0.31946919333835927,0.377617195531492
EOS-2-23766,Cn1nc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1-c1cccnc1,HBXPFXRDWJEGPV-UHFFFAOYSA-N,2,1,0.472,40,120,466.53,4.289,6,0.361,0.59,1.0,0.29216640394763893,0.2709803988760195,0.3715817969981495,0.32569734768007674,0.31510648687547116
EOS-2-23767,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,UPLOWTSUJYMJSJ-UHFFFAOYSA-N,2,1,0.359,9,642,466.53,4.386,6,0.372,0.64,1.0,0.15257693098485367,0.06516859708039202,0.4339832773627579,0.36132718799259816,0.25326399835515045
EOS-2-23768,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)s4)n23)cc1,ULRYLONQUMGORW-UHFFFAOYSA-N,2,1,0.534,40,25,466.53,4.289,6,0.361,0.67,1.0,0.4857532040298814,0.38436364882461793,0.23208656020834761,0.20623158111164416,0.32710874854362276
EOS-2-23769,Cn1nc(-c2cccs2)nc1COc1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,PKTQWURCCMHLBL-UHFFFAOYSA-N,2,1,0.443,40,25,466.53,4.289,6,0.361,0.64,0.998,0.39313617983688576,0.4706668494277294,0.1578113220478377,0.19194195051744226,0.3033890754574738
EOS-2-23770,Cn1ccnc1-c1nccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)s4)n23)n1,BPTPAPVQFRMLCX-UHFFFAOYSA-N,2,1,0.4,28,414,466.53,4.289,6,0.361,0.59,1.0,0.37032245905009936,0.26578884243711876,0.1453635802892194,0.15383626893290384,0.23382778767733534
EOS-2-23771,COc1ncc(-c2ccnn2C)cc1-c1cncc2nnc(-c3ccc(-c4ccncc4)s3)n12,BKPFCKFYYMIRRA-UHFFFAOYSA-N,2,1,0.271,70,957,466.53,4.386,6,0.372,0.63,1.0,0.08215680899184429,0.06880097320265917,0.34509286546501267,0.2681447467617024,0.19104884860530463
EOS-2-23772,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cn5)n34)cc2)n[nH]1,CVIQNQJWLLHUIT-UHFFFAOYSA-N,2,1,0.541,40,25,466.53,4.587,6,0.383,0.66,1.0,0.4633763964087451,0.4176889863614557,0.39033479542183536,0.3288242752381605,0.40005611335754915
EOS-2-23773,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)s3)n12,WFSMHGLSEMVBEU-UHFFFAOYSA-N,2,1,0.3,76,272,466.53,4.386,6,0.372,0.68,1.0,0.15258549790967035,0.08306490302241107,0.2830340620930711,0.2468902062915496,0.1913936673291755
EOS-2-23774,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)c2)cn1,KXMVVNQVMHQHRH-UHFFFAOYSA-N,2,1,0.489,40,78,466.53,4.289,6,0.361,0.71,1.0,0.46592077307929547,0.3018213282160236,0.4971043794119663,0.3993814680282366,0.4160569871838805
EOS-2-23775,COc1cc(-c2sccc2C)ncc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,XZBQCZORIOXBPH-UHFFFAOYSA-N,2,1,0.322,38,7,466.53,4.684,6,0.393,0.62,1.0,0.21903913371256253,0.1741484476732232,0.40481289836200396,0.30400589404427386,0.2755015934480159
EOS-2-23776,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccsc6)n5)n34)cc2)n[nH]1,LFCMBIUFEQBKSB-UHFFFAOYSA-N,2,1,0.423,40,355,466.53,4.587,6,0.383,0.59,1.0,0.4882033445274484,0.4357823315742581,0.4012490576382702,0.34830546227126313,0.41838504900280993
EOS-2-23777,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)c2)nn1,KUYWFTNMUZSOLW-UHFFFAOYSA-N,2,1,0.456,28,297,466.53,4.289,6,0.361,0.74,1.0,0.42184394489753957,0.35593859228291413,0.38294153930505104,0.344981495442396,0.37642639298197517
EOS-2-23778,Oc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1cccc(F)n1,HQLMJDBNWNAJHK-UHFFFAOYSA-N,2,1,0.5,11,201,433.468,4.381,5,0.4,0.43,1.0,0.8985504763210198,0.7952504968816394,0.6791343979165239,0.6386728120074018,0.7529020457816463
EOS-2-23779,COc1cc(-c2nnc3cncc(OCc4ccc(F)s4)n23)ccc1-c1ccncc1,GQXNDJVWQXOWRW-UHFFFAOYSA-N,2,1,0.524,97,83,433.468,4.642,5,0.388,0.63,1.0,0.8055565074360908,0.7743129326297032,0.7837365499280379,0.6851740799122746,0.7621950174765266
EOS-2-23780,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1ccsc1,YSYANINXFMJUCJ-UHFFFAOYSA-N,2,1,0.518,97,103,433.468,4.642,5,0.363,0.67,1.0,0.9300167911726407,0.7442772942224659,0.8149030224110754,0.7131193886642451,0.8005791241176068
EOS-2-23781,COc1ccc(-c2ccnc(-c3nnc4cncc(COc5ccsc5)n34)c2)cc1F,QBIZPUGLEDOFIY-UHFFFAOYSA-N,2,1,0.351,14,767,433.468,4.642,5,0.388,0.75,1.0,0.5155489685422521,0.457422383661161,0.7677506682201357,0.6851826468370914,0.6064761668151601
EOS-2-23782,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc(C)nn6C)cc5)n34)s2)nn1,UIBSGKITYHDUPT-UHFFFAOYSA-N,2,1,0.318,98,882,466.534,3.784,6,0.386,0.59,1.0,0.08430710712082791,0.11791515317661572,0.0469981495442396,0.044359536700705915,0.07339498663559728
EOS-2-23783,Cc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(C)nc5-c5ccnn5C)n34)s2)nc1,FREPKLUAIARUEC-UHFFFAOYSA-N,2,1,0.3,76,14,466.534,3.784,6,0.386,0.56,0.942,0.048762936056473166,0.06517716400520869,0.04700671646905627,0.04313446645192242,0.051020320745665135
EOS-2-23784,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)cc5C)n34)cn2)cs1,VEPRYKNQSLWPGF-UHFFFAOYSA-N,2,1,0.302,70,968,466.534,3.784,6,0.386,0.67,0.955,0.041412514563772186,0.08957576588307861,0.12472585840586663,0.10130388595709684,0.08925450620245357
EOS-2-23785,CCn1c(-c2nnc(C)s2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,SSJINTHNTLNFGX-UHFFFAOYSA-N,2,1,0.266,8,934,466.534,3.959,6,0.375,0.74,0.695,0.03037831539990405,0.035672674936604754,0.009166609553834556,0.02259954766636968,0.024454286889178257
EOS-2-23786,CCn1nc(-c2nc(C)ns2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,BZMNLZKZIUQNTM-UHFFFAOYSA-N,2,1,0.295,98,945,466.534,3.959,6,0.375,0.62,0.998,0.0587348365430745,0.06880954012747584,0.008224247824001097,0.014203961346035228,0.03749314646014667
EOS-2-23787,Cc1nsc(COc2cncc3nnc(-c4ccc(-c5nc(=N)nc(C)[nH]5)nc4)n23)n1,YQNJSXVYDAPXLV-UHFFFAOYSA-N,2,1,0.373,7,185,433.461,1.498,5,0.419,0.67,1.0,0.2839592899732712,0.2603745459529847,0.008232814748817764,0.0023130697005003084,0.1387199300938935
EOS-2-23788,COc1cncc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)ncn2)n1,VUZLADQETKGXGA-UHFFFAOYSA-N,2,1,0.478,31,296,433.457,2.125,5,0.377,0.52,0.746,0.41947947364813926,0.16953944212185593,0.03010417380577068,0.017176684257418955,0.1590749434582962
EOS-2-23789,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(C)ns5)n34)cn2)cn1,IGBYFEBAHTUSST-UHFFFAOYSA-N,2,1,0.394,7,903,433.457,2.391,5,0.394,0.63,1.0,0.3332191076691111,0.29200363237612226,0.025743609074086765,0.010006168185868,0.16524312932629703
EOS-2-23790,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nn2C)cn1,DCEPHNBPDUSWAY-UHFFFAOYSA-N,2,1,0.438,31,569,433.451,2.564,5,0.389,0.63,0.995,0.2543605647316839,0.11493386334041532,0.15453018984305394,0.1345264203961346,0.16458775957782193
EOS-2-23791,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2C)cn1,DDZOBECGBQIICH-UHFFFAOYSA-N,2,1,0.439,31,235,433.451,2.564,5,0.389,0.7,0.979,0.3078010417380577,0.16179494208758824,0.1247344253306833,0.10987937769858132,0.17605244671372766
EOS-2-23792,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)nn1C,DEFIGVCEQUJPFE-UHFFFAOYSA-N,2,1,0.412,31,477,433.451,2.564,5,0.389,0.6,0.979,0.3105338907545747,0.1741570145980399,0.11638167363443218,0.10988794462339799,0.1777401309026112
EOS-2-23793,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)c1,DQDZRMPJTRKTKJ-UHFFFAOYSA-N,2,1,0.345,30,668,433.45,4.845,6,0.398,0.75,1.0,0.005260091837434035,0.1783805085326571,0.7653861969707354,0.8091717497087245,0.4395496367623878
EOS-2-23794,Fc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,URMBSUXXFPWDRY-UHFFFAOYSA-N,2,1,0.351,93,774,433.45,4.845,6,0.398,0.82,1.0,0.022531012267836336,0.2555085326571174,0.7132050579124117,0.7728565554108697,0.4410252895620588
EOS-2-23795,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cn2)cc1,LGPQOIVCSHITRL-UHFFFAOYSA-N,2,1,0.354,69,668,433.45,4.845,6,0.398,0.76,1.0,0.016679802618052224,0.20976972106092798,0.842659858817079,0.8641285724076485,0.48330948872592694
EOS-2-23796,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,FVMDRSCBJZKGRG-UHFFFAOYSA-N,2,1,0.39,93,834,433.45,5.05,6,0.421,0.74,1.0,0.297606401206223,0.39393290384483587,0.8492478240010966,0.8720958124871496,0.6032207353848262
EOS-2-23797,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cn1,JAFLFBVHWRPJIE-UHFFFAOYSA-N,2,1,0.327,69,668,433.45,4.845,6,0.398,0.77,1.0,0.018444589130285793,0.24548523062161606,0.8200860119251594,0.8472088958947296,0.48280618189294777
EOS-2-23798,Fc1cc(-c2nnc3cncc(-c4cccc(-c5cccnc5)c4)n23)ccc1-c1cc[nH]n1,ZUULPQOPGHIRNQ-UHFFFAOYSA-N,2,1,0.341,69,30,433.45,5.05,6,0.421,0.64,1.0,0.28669213898978824,0.3462579672400795,0.8629720375573984,0.8790949900623672,0.5937542834624083
EOS-2-23799,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)n1,NZVNDBOUSXZARB-UHFFFAOYSA-N,2,1,0.373,93,68,433.45,4.845,6,0.372,0.83,1.0,0.031680487972037555,0.20021759989034335,0.7516619834144336,0.7915324515112055,0.44377313069700497
EOS-2-23800,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)ccn1,AYXBPXSOXSVBSB-UHFFFAOYSA-N,2,1,0.342,93,68,433.45,4.845,6,0.372,0.75,1.0,0.036940579809471595,0.20485230621616066,0.8182441230895757,0.8337245562332944,0.4734403913371256
EOS-2-23801,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1,OJAZQUZVGZYNMS-UHFFFAOYSA-N,2,1,0.373,93,689,433.45,4.845,6,0.398,0.77,1.0,0.04714378726612295,0.2348793776985813,0.705666164073744,0.7915410184360222,0.44480758686861765
EOS-2-23802,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,WDHKYXIIKZZPBE-UHFFFAOYSA-N,2,1,0.321,30,668,433.45,4.845,6,0.398,0.79,1.0,0.011822356247001576,0.20977828798574463,0.7628846549242684,0.7939226235350558,0.4446019806730176
EOS-2-23803,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,VCCAWUICNHCQAI-UHFFFAOYSA-N,2,1,0.364,93,689,433.45,4.845,6,0.398,0.75,1.0,0.031689054896854224,0.234887944623398,0.6898430539373587,0.7728651223356864,0.4323212939483243
EOS-2-23804,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,FKEVSYKDSNYDBH-UHFFFAOYSA-N,2,1,0.311,30,668,433.45,4.845,6,0.398,0.75,1.0,0.041421081488588855,0.23008189980124735,0.7792988828730039,0.8091803166335412,0.4649955451990953
EOS-2-23805,Fc1cc(-c2ccccc2)ncc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,PMMYYXOIZPHYTE-UHFFFAOYSA-N,2,1,0.346,69,220,433.45,5.05,6,0.421,0.75,1.0,0.3183212254129258,0.3939414707696525,0.8167106435473922,0.8376910424234117,0.5916660955383456
EOS-2-23806,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cc1,LEWQVHUDAFJANK-UHFFFAOYSA-N,2,1,0.346,3,668,433.45,4.845,6,0.398,0.75,1.0,0.03038688232472072,0.20022616681516003,0.8047597834281406,0.8275049688163937,0.46571945034610374
EOS-2-23807,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n[nH]2)cc1,TZINPPLERHPINT-UHFFFAOYSA-N,2,1,0.387,93,107,433.45,5.05,6,0.421,0.82,1.0,0.27050065108628607,0.47495887876088,0.7263638544308135,0.8136436844630252,0.5713667671852511
EOS-2-23808,Fc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,MQIPRUPWKWBHGQ-UHFFFAOYSA-N,2,1,0.338,30,668,433.45,4.845,6,0.398,0.72,1.0,0.027002947022136934,0.2002347337399767,0.7581300116510178,0.789382153382222,0.4436874614488383
EOS-2-23809,Fc1ccc(-n2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,NJQAWSSXPKKTOY-UHFFFAOYSA-N,2,1,0.35,3,479,433.45,4.845,6,0.398,0.77,1.0,0.03420773079295456,0.17416558152285655,0.7559625796724008,0.7915495853608389,0.43897136933726266
EOS-2-23810,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)cc1,AWVWGQNOGCKHSL-UHFFFAOYSA-N,2,1,0.364,3,668,433.45,4.845,6,0.398,0.75,1.0,0.02357617709546981,0.22502741415941332,0.8509783428140635,0.8690374203275992,0.49215483859913645
EOS-2-23811,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nn1,VTTPNSPJJLIHJZ-UHFFFAOYSA-N,2,1,0.355,93,991,433.45,4.845,6,0.398,0.77,1.0,0.028176615722020425,0.24549379754643275,0.7342968268110479,0.8176787060516757,0.4564114865327942
EOS-2-23812,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)cc1,BTBWVFMHESDQIQ-UHFFFAOYSA-N,2,1,0.368,93,991,433.45,4.845,6,0.398,0.81,1.0,0.02358474402028648,0.22503598108423,0.7677592351449524,0.8376996093482284,0.46351989239942437
EOS-2-23813,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c1,DROAJIWOISYJSL-UHFFFAOYSA-N,2,1,0.351,93,991,433.45,4.845,6,0.398,0.76,1.0,0.038448358577205126,0.230090466726064,0.7559711465972174,0.8315656911794942,0.46401891576999515
EOS-2-23814,Fc1cc(-n2cccn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,FRECOBMZSUVHON-UHFFFAOYSA-N,2,1,0.317,69,484,433.45,4.845,6,0.398,0.7,1.0,0.080023644712494,0.1695480090466726,0.8110222054691248,0.8176872729764924,0.46957028305119597
EOS-2-23815,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)ccn1,UTPHMVOWSZOQBG-UHFFFAOYSA-N,2,1,0.368,93,68,433.45,4.845,6,0.372,0.76,1.0,0.023593310945103144,0.1909481872387088,0.8167192104722089,0.8377081762730451,0.46724222123226644
EOS-2-23816,Fc1cc(-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)ccc1-c1ccccc1,DUEFZBBMAKHJBA-UHFFFAOYSA-N,2,1,0.34,93,68,433.45,4.845,6,0.398,0.78,1.0,0.009620656569117949,0.20978685491056132,0.762893221849085,0.804879720375574,0.4467951134260846
EOS-2-23817,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,SVJVIZXJZPHBKT-UHFFFAOYSA-N,2,1,0.355,93,689,433.45,4.845,6,0.398,0.75,1.0,0.05195839901309026,0.24053354807758207,0.6927044068261257,0.7846103762593379,0.442451682544034
EOS-2-23818,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,YWCLUMIQGOKHRK-UHFFFAOYSA-N,2,1,0.342,93,668,433.45,4.845,6,0.372,0.72,0.999,0.02139161126721952,0.20024330066479337,0.8027979576451237,0.8158453841409088,0.46006956342951133
EOS-2-23819,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)ccc1-c1nc[nH]n1,DVKDXSXTRXIUGM-UHFFFAOYSA-N,2,1,0.36,93,107,433.45,5.05,6,0.421,0.77,1.0,0.3497190048660133,0.4221609211157563,0.8275820711397437,0.8575063395243643,0.6142420841614694
EOS-2-23820,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccccc5-c5ccccc5)n34)n2)cc1,GNUZTLBUWAKTAO-UHFFFAOYSA-N,2,1,0.34,93,689,433.45,4.845,6,0.398,0.77,1.0,0.029290315948187238,0.2048608731409773,0.6487646494414365,0.7579072716057844,0.41020577753409637
EOS-2-23821,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)cn1,NDDWXHXWGJBWDG-UHFFFAOYSA-N,2,1,0.318,30,317,433.45,4.845,6,0.398,0.69,0.999,0.006151052018367487,0.1618035090124049,0.6871273387704749,0.7579158385306011,0.4032494345829621
EOS-2-23822,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc1,ITQDXAWDPGUAPT-UHFFFAOYSA-N,2,1,0.354,93,479,433.45,5.05,6,0.421,0.71,1.0,0.29217497087245564,0.41302001233637176,0.8378709478445617,0.8592282914125146,0.6005735556164759
EOS-2-23823,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,HJDWJBNXVFFROB-UHFFFAOYSA-N,2,1,0.325,30,317,433.45,4.845,6,0.398,0.73,1.0,0.014092591323418545,0.18688746487560826,0.7186536220958125,0.7802326776780207,0.42496658899321504
EOS-2-23824,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)c1,WZIKYACVIATPBB-UHFFFAOYSA-N,2,1,0.294,30,668,433.45,4.845,6,0.398,0.77,0.997,0.002415872798300322,0.13156226440956753,0.7606915221712014,0.817695839901309,0.4280913748200946
EOS-2-23825,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,NTHZFDVSVUYBOO-UHFFFAOYSA-N,2,1,0.39,93,834,433.45,5.05,6,0.421,0.74,1.0,0.29761496813103966,0.3939500376944692,0.8492563909259132,0.8721043794119663,0.603231444040847
EOS-2-23826,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cc1,OPLQCKITCWUYKZ-UHFFFAOYSA-N,2,1,0.333,30,668,433.45,4.845,6,0.398,0.76,0.999,0.01668836954286889,0.2146871359056953,0.7768487423754369,0.8158539510657254,0.45601954972243164
EOS-2-23827,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)ccc1-c1c[nH]nn1,CJMFRBLPARIRPI-UHFFFAOYSA-N,2,1,0.36,93,107,433.45,5.05,6,0.421,0.76,1.0,0.2894078541566719,0.3703138921252827,0.8615413611130148,0.8902062915495854,0.6028673497361388
EOS-2-23828,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cn1,LXXZBLFBJSJSMC-UHFFFAOYSA-N,2,1,0.346,69,220,433.45,5.05,6,0.421,0.71,1.0,0.295053457610856,0.41769755328627234,0.8395329312589953,0.8557158522376808,0.6019999485984511
EOS-2-23829,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)c1,JISGJVXYGXTELV-UHFFFAOYSA-N,2,1,0.314,30,668,433.45,4.845,6,0.398,0.82,0.999,0.0018932903844835858,0.1284096360770338,0.760700089096018,0.8136522513878418,0.4261638167363443
EOS-2-23830,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)ccc1-c1ccccc1,WCKLRJYIWATZDB-UHFFFAOYSA-N,2,1,0.354,93,834,433.45,5.05,6,0.421,0.79,1.0,0.342685559591529,0.36060756630799806,0.8329706668494278,0.8592368583373312,0.5988751627715715
EOS-2-23831,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,QYFJNPMIPMLNJY-UHFFFAOYSA-N,2,1,0.37,93,107,433.45,5.05,6,0.421,0.76,1.0,0.3357120827907614,0.40354499348913714,0.8329792337742444,0.8592454252621479,0.6078704338290727
EOS-2-23832,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)c1,YXJYLIJNJFMCOP-UHFFFAOYSA-N,2,1,0.326,69,668,433.45,4.845,6,0.398,0.72,1.0,0.022539579192653005,0.20025186758961003,0.7940768281817558,0.8217137276403262,0.4596455006510862
EOS-2-23833,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,WBYDRJMMMSEGMI-UHFFFAOYSA-N,2,1,0.359,93,107,433.45,5.05,6,0.421,0.74,1.0,0.35183503529573024,0.4264786512233569,0.8239496950174765,0.8540881365225139,0.6140878795147694
EOS-2-23834,Fc1cccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)c1,SGWXHXNLRIYCET-UHFFFAOYSA-N,2,1,0.38,93,834,433.45,5.05,6,0.421,0.67,1.0,0.2783479542183538,0.36532794188198203,0.8410578438763622,0.8690459872524159,0.5884449318072784
EOS-2-23835,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cccc(-c6ccccc6)c5)n34)n2)cc1,LZNOOHOEIHWTIH-UHFFFAOYSA-N,2,1,0.346,93,689,433.45,4.845,6,0.398,0.8,1.0,0.044342402851072577,0.2002604345144267,0.6898516208621753,0.7846189431841546,0.4297683503529573
EOS-2-23836,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)nc1,JSTKHJDCOXVDDK-UHFFFAOYSA-N,2,1,0.325,30,668,433.45,4.845,6,0.398,0.77,1.0,0.062392913439791656,0.1955486258652594,0.7793074497978206,0.8027122883969571,0.45999031937495716
EOS-2-23837,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)cc4)n23)cc1,VHQWXZGUKQPOTB-UHFFFAOYSA-N,2,1,0.394,21,695,433.446,5.919,6,0.345,0.78,1.0,0.34046672606401207,0.4081882667397711,0.9185199780686725,0.9314646014666575,0.6496598930847782
EOS-2-23838,Fc1ccc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,OZHARXMEXJVZBN-UHFFFAOYSA-N,2,1,0.414,21,107,433.446,5.919,6,0.345,0.81,1.0,0.42405421150023986,0.5431344664519224,0.862980604482215,0.8984990747721198,0.6821670893016243
EOS-2-23839,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)cc1,RGMADFRDCPAJBG-UHFFFAOYSA-N,2,1,0.439,21,958,433.446,5.919,6,0.345,0.77,1.0,0.412523130697005,0.5339935576725379,0.9317301761359742,0.9390805976286752,0.7043318655335481
EOS-2-23840,Fc1cc(-c2ccoc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,OQTAWFXEYDOEHA-UHFFFAOYSA-N,2,1,0.338,69,484,433.446,5.919,6,0.345,0.77,1.0,0.3588941813446645,0.39395860461928583,0.9128144061407717,0.920027756836406,0.646423737235282
EOS-2-23841,Fc1ccc(-c2nocc2-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)cc1,JPVRSALUBHBQBY-UHFFFAOYSA-N,2,1,0.386,21,107,433.446,5.919,6,0.345,0.79,1.0,0.3157682818175588,0.3797889109725173,0.870048317455966,0.9113237612226716,0.6192323178671784
EOS-2-23842,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)cc2)nc1,OHHRNFPOIQSNBE-UHFFFAOYSA-N,2,1,0.351,69,958,433.446,5.919,6,0.345,0.78,1.0,0.36336611609896513,0.379797477897334,0.9147590980741553,0.9222894249880063,0.6450530292646152
EOS-2-23843,Fc1cc(-c2ccon2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,QOXXZLUTFQVZSR-UHFFFAOYSA-N,2,1,0.38,21,107,433.446,5.919,6,0.345,0.87,1.0,0.36582482352134876,0.4035535604139538,0.9109639503803715,0.9251679117264067,0.6513775615105202
EOS-2-23844,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4ccoc4)cn3)n12,HEPUWUZKIZPDPM-UHFFFAOYSA-N,2,1,0.384,93,651,433.446,5.919,6,0.345,0.73,1.0,0.3426941265163457,0.40356212733877045,0.8973682406963196,0.9157271605784387,0.6398379137824686
EOS-2-23845,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)cc2)c1,JPEYSRCFMZSDBR-UHFFFAOYSA-N,2,1,0.351,69,958,433.446,5.919,6,0.345,0.72,1.0,0.33322767459392777,0.3559471592077308,0.9176547186621891,0.9273182098553903,0.6335369405798095
EOS-2-23846,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)cc1,VOCMBRFNAGKIDJ-UHFFFAOYSA-N,2,1,0.389,69,30,433.446,5.919,6,0.345,0.76,1.0,0.3332362415187444,0.39396717154410255,0.911932012884655,0.9262730450277569,0.6413521177438147
EOS-2-23847,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)cc2)cn1,JABNAYBZXFLLMQ-UHFFFAOYSA-N,2,1,0.388,69,958,433.446,5.919,6,0.323,0.79,1.0,0.32063429511342606,0.35098690973888014,0.9317387430607909,0.934831402919608,0.6345478377081762
EOS-2-23848,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,QSBXPUHEOHXJFL-UHFFFAOYSA-N,2,1,0.394,21,958,433.446,5.919,6,0.345,0.81,1.0,0.4218525118223562,0.5067850044548009,0.9137824686450552,0.9262816119525735,0.6921753992186964
EOS-2-23849,Fc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,SAASAPYQSKROPB-UHFFFAOYSA-N,2,1,0.38,21,107,433.446,5.919,6,0.345,0.79,1.0,0.38655678157768486,0.4621084915358783,0.8973768076211364,0.9067233225961209,0.6631913508327051
EOS-2-23850,Fc1cc(-c2ccoc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,QCTRRYFPXOURAP-UHFFFAOYSA-N,2,1,0.382,69,30,433.446,5.919,6,0.345,0.77,1.0,0.347457336714413,0.42648721814817353,0.935448221506408,0.9408025495168254,0.662548831471455
EOS-2-23851,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)c1,CVWRSYDCBCPCPC-UHFFFAOYSA-N,2,1,0.417,21,958,433.446,5.919,6,0.345,0.8,1.0,0.40588376396408743,0.4835772051264478,0.9275666506750737,0.9365619217325749,0.688397385374546
EOS-2-23852,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c2)nn1,VNHZQTJXXONDHV-UHFFFAOYSA-N,2,1,0.279,98,725,433.439,2.501,6,0.412,0.66,0.999,0.022548146117469674,0.022488177643752997,0.2537009115208005,0.26505208690288534,0.14094733054622713
EOS-2-23853,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cncnc5-n5nccn5)n34)cc2)cn1,KOTSCHSSIWXKLA-UHFFFAOYSA-N,2,1,0.291,42,761,433.439,2.594,6,0.412,0.69,1.0,0.021400178192036188,0.03568124186142142,0.14845624014803646,0.1464515797409362,0.08799730998560756
EOS-2-23854,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)c2)nn1,ZVLHGOBMWCSBKH-UHFFFAOYSA-N,2,1,0.263,86,421,433.439,2.501,6,0.412,0.63,0.999,0.017690699746419025,0.00762456308683435,0.19680796381330956,0.19715920773079296,0.10482060859433898
EOS-2-23855,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nn1,CZJDNNXZFKTGLW-UHFFFAOYSA-N,2,1,0.301,94,167,433.439,2.501,6,0.412,0.69,1.0,0.029298882873003907,0.057252758549790964,0.20042320608594338,0.21778836268932905,0.1261908025495168
EOS-2-23856,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)nn1,HPBPKNZHLIALPG-UHFFFAOYSA-N,2,1,0.295,98,154,433.439,2.799,6,0.445,0.63,1.0,0.08656020834761154,0.09594099102186279,0.18017956274415736,0.16993352066342265,0.1331535706942636
EOS-2-23857,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)nn1,KCFSFUZENLARFH-UHFFFAOYSA-N,2,1,0.301,42,608,433.439,2.501,6,0.412,0.74,1.0,0.03546706874100473,0.03568980878623809,0.11327187992598177,0.11477109176889863,0.07479996230553079
EOS-2-23858,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)nc1,KVBTVHRAHJYVSX-UHFFFAOYSA-N,2,1,0.333,98,654,433.439,2.501,6,0.412,0.7,1.0,0.0865687752724282,0.05726132547460763,0.04066719210472209,0.07507196216846002,0.06489231375505448
EOS-2-23859,Cc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cn5)n34)nc2)n1,AUKPMLONHDGJEA-UHFFFAOYSA-N,2,1,0.245,70,652,433.439,2.799,6,0.445,0.68,1.0,0.10125248440819683,0.10536460832019738,0.14846480707285312,0.12815262833253374,0.12080863203344527
EOS-2-23860,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)n1,DDNXSJCCZDACIU-UHFFFAOYSA-N,2,1,0.276,94,259,433.439,2.501,6,0.412,0.67,0.777,0.07180796381330957,0.042389143992872316,0.11914879035021589,0.13247035844013433,0.09145406414913303
EOS-2-23861,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)n1,HMJGLWIYBHYDTH-UHFFFAOYSA-N,2,1,0.299,98,746,433.439,2.501,6,0.412,0.67,1.0,0.07368412034815983,0.07258755397162635,0.11328044685079844,0.15662908642313755,0.10404530189843053
EOS-2-23862,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)n1,AZHOERHAXGOAKR-UHFFFAOYSA-N,2,1,0.296,98,725,433.439,2.501,6,0.412,0.76,1.0,0.06981187033102597,0.06881810705229251,0.16415941333698855,0.18624494551435816,0.1222585840586663
EOS-2-23863,Cn1nnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cn2)n1,XHSGOISBUASKFH-UHFFFAOYSA-N,2,1,0.3,42,213,433.439,2.501,6,0.412,0.73,1.0,0.1012610513330135,0.08307346994722774,0.09057809608662874,0.12816119525735042,0.10076845315605511
EOS-2-23864,Cc1cccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cn5)n34)n2)n1,GSLUWFMFIBKSOF-UHFFFAOYSA-N,2,1,0.26,70,652,433.439,2.799,6,0.445,0.58,0.996,0.08216537591666095,0.0830820368720444,0.12211294633678295,0.11932869577136591,0.10167226372421355
EOS-2-23865,Cn1nnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)n1,PWQLYBXSCJWGDO-UHFFFAOYSA-N,2,1,0.368,25,774,433.439,2.501,6,0.412,0.74,1.0,0.11114728257144815,0.09594955794667946,0.04701528339387293,0.10542457679391405,0.08988417517647865
EOS-2-23866,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)n1,DDDTZIAOLWGSBF-UHFFFAOYSA-N,2,1,0.3,98,608,433.439,2.501,6,0.412,0.73,1.0,0.0777619765608937,0.0572698923994243,0.09750017133849634,0.10757487492289768,0.085026728805428
EOS-2-23867,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cn2)nn1,XIJZZJIQCVFSOM-UHFFFAOYSA-N,2,1,0.282,94,165,433.439,2.501,6,0.412,0.64,0.844,0.035475635665821396,0.03861969707353848,0.20043177301076007,0.1945377287368926,0.11726620862175313
EOS-2-23868,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,TXWNZIWQEILOIH-UHFFFAOYSA-N,2,1,0.293,42,761,433.439,2.501,6,0.412,0.74,1.0,0.07181653073812624,0.06518573093002536,0.20382427523816052,0.2442001918991159,0.146256682201357
EOS-2-23869,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nn[nH]n6)cn5)n34)cc2)cn1,KRRGVAOWECWRJM-UHFFFAOYSA-N,2,1,0.305,38,167,433.439,2.799,6,0.445,0.71,1.0,0.12203584401343294,0.1656157905558221,0.2110376259337948,0.22338256459461311,0.18051795627441575
EOS-2-23870,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cncnc5)cn4)n23)nc1,JPDFHFYVDBWERV-UHFFFAOYSA-N,2,1,0.244,86,165,433.439,2.501,6,0.412,0.62,1.0,0.06982043725584264,0.042397710917688985,0.14537214721403605,0.14149133027208552,0.0997704064149133
EOS-2-23871,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,BDBGCNWFQRZECR-UHFFFAOYSA-N,2,1,0.312,42,213,433.439,2.501,6,0.412,0.7,1.0,0.08003221163731067,0.06107360701802481,0.16416798026180524,0.1971677746556096,0.12561039339318758
EOS-2-23872,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cn2)n1,HATZCKINFXVNJB-UHFFFAOYSA-N,2,1,0.319,70,899,433.439,2.501,6,0.412,0.74,1.0,0.0736926872729765,0.06882667397710918,0.11051333013501473,0.13015728873963403,0.09579749503118362
EOS-2-23873,Cn1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)n1,RKNYHYZBSXHSCC-UHFFFAOYSA-N,2,1,0.286,98,167,433.439,2.501,6,0.412,0.68,0.786,0.041429648413405525,0.04960249468850662,0.1641765471866219,0.18363203344527448,0.10971018093345214
EOS-2-23874,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)n1,NTQZJKFJAQWJGJ-UHFFFAOYSA-N,2,1,0.293,98,63,433.439,2.501,6,0.412,0.65,1.0,0.11940579809471592,0.03569837571105476,0.11328901377561511,0.14646014666575286,0.10371333356178467
EOS-2-23875,Cc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cn2)cn1,CLYVHHYIARKJPI-UHFFFAOYSA-N,2,1,0.318,86,812,433.439,2.799,6,0.445,0.69,1.0,0.180033925022274,0.13157083133438421,0.1484733739976698,0.13247892536495098,0.14813926392981974
EOS-2-23876,Cn1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)cn1,IKIXPVWSEYWLKO-UHFFFAOYSA-N,2,1,0.312,86,899,433.439,2.501,6,0.412,0.6,1.0,0.044350969775889246,0.04609005551367281,0.14538071413885273,0.1619919813583716,0.09945343019669659
EOS-2-23877,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccnc(-c6ccccn6)c5)n34)nc2)nn1,PMTOUPCHLOTRLV-UHFFFAOYSA-N,2,1,0.288,86,812,433.439,2.501,6,0.412,0.71,1.0,0.02818518264683709,0.01692824343773559,0.10258035775478035,0.10989651154821466,0.06439757384689192
EOS-2-23878,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)n1,CMWHZWVUVMYVTD-UHFFFAOYSA-N,2,1,0.273,98,301,433.439,2.501,6,0.412,0.72,0.421,0.045730244671372766,0.018513124528819137,0.05982283599479131,0.10347988486053046,0.05688652251387842
EOS-2-23879,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)nn1,OFSOTNOEYUPHIN-UHFFFAOYSA-N,2,1,0.296,94,165,433.439,2.501,6,0.412,0.67,0.999,0.035484202590638066,0.03862826399835515,0.19681653073812624,0.1971763415804263,0.11702633472688644
EOS-2-23880,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)c1,CANBWMHOMDLEGW-UHFFFAOYSA-N,2,1,0.279,94,899,433.439,2.501,6,0.412,0.67,1.0,0.0757144815297101,0.04609862243848948,0.20383284216297717,0.20624014803646082,0.1329715235419094
EOS-2-23881,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cn2)cnn1,JGPVJGHYBJWCHG-UHFFFAOYSA-N,2,1,0.301,9,339,433.435,3.669,6,0.41,0.65,1.0,0.15527551230210404,0.13157939825920087,0.36406860393393187,0.33863340415324517,0.24738922966212049
EOS-2-23882,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6)nc5)n34)cc2)o1,PJWFISKLSRLZTE-UHFFFAOYSA-N,2,1,0.366,9,553,433.435,3.378,6,0.435,0.65,1.0,0.14986121581797,0.10537317524501405,0.3267253786580769,0.3007847303132068,0.22068612500856694
EOS-2-23883,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)cn2)o1,DACRIYONNYEBPK-UHFFFAOYSA-N,2,1,0.326,32,191,433.435,3.669,6,0.41,0.73,1.0,0.152594064834487,0.1212733877047495,0.18018812966897402,0.18625351243917485,0.16007727366184635
EOS-2-23884,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cn2)n1,ZKPXOKWXCMHPHS-UHFFFAOYSA-N,2,1,0.278,94,321,433.435,3.669,6,0.41,0.57,1.0,0.1969107669111096,0.142613597423069,0.27915324515112055,0.2856384072373381,0.2260790041806593
EOS-2-23885,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnn6)cn5)n34)cc2)o1,NYBJUKZDWQPHMD-UHFFFAOYSA-N,2,1,0.293,38,167,433.435,3.669,6,0.41,0.62,1.0,0.19973785210060996,0.15010965663765335,0.3010246042080735,0.27373038174216985,0.2311506236721267
EOS-2-23886,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)o1,WBANWDIMCNZCGI-UHFFFAOYSA-N,2,1,0.293,38,170,433.435,3.669,6,0.41,0.76,1.0,0.12204441093824961,0.12841820300185045,0.32673394558289354,0.29765780275512305,0.21871359056952916
EOS-2-23887,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cn2)cc1,HURQRMOVNCJJMX-UHFFFAOYSA-N,2,1,0.458,12,285,433.435,3.826,6,0.436,0.78,1.0,0.5155575354670687,0.44433212254129256,0.43399184428757454,0.4342659858817079,0.45703687204441096
EOS-2-23888,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cc2)o1,SHEAIIQCBAUZAX-UHFFFAOYSA-N,2,1,0.282,38,303,433.435,3.669,6,0.41,0.67,1.0,0.17143273250633953,0.10878281132204784,0.38295010622986775,0.33547220889589474,0.24965946473853745
EOS-2-23889,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c2)o1,ICOPWYGKOJVFHT-UHFFFAOYSA-N,2,1,0.301,42,608,433.435,3.669,6,0.41,0.73,1.0,0.15798266054417107,0.12496573230073332,0.25370947844561714,0.23534199163868139,0.19299996573230072
EOS-2-23890,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cn2)o1,RYGBQWUQFUEAPH-UHFFFAOYSA-N,2,1,0.306,94,165,433.435,3.669,6,0.41,0.67,0.999,0.1306713042286341,0.11494243026523199,0.2866150366664382,0.2529298882873004,0.1962896648619012
EOS-2-23891,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)o1,RJMIMEUJVACFQA-UHFFFAOYSA-N,2,1,0.32,9,894,433.435,3.669,6,0.41,0.81,1.0,0.16620690836817217,0.12497429922554999,0.34129771777122886,0.32570591460489345,0.23954620999246112
EOS-2-23892,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)cc2)o1,SJDPIENMFBZJAE-UHFFFAOYSA-N,2,1,0.347,9,598,433.435,3.669,6,0.41,0.67,1.0,0.14986978274278664,0.1426221643478857,0.16106675347817148,0.19718490850524295,0.1626859022685217
EOS-2-23893,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6cccnc6)n5)n34)cc2)o1,KBYIDIMHORXKHD-UHFFFAOYSA-N,2,1,0.283,42,303,433.435,3.669,6,0.41,0.68,1.0,0.14987834966760333,0.12842676992666713,0.26076005756973475,0.2620793639915016,0.20028613528887668
EOS-2-23894,Cc1nnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)o1,BVPBBWMSVLAXHN-UHFFFAOYSA-N,2,1,0.373,93,774,433.435,3.669,6,0.41,0.75,1.0,0.1857052292509081,0.16955657597148927,0.12212151326159962,0.20015763141662668,0.1693852374751559
EOS-2-23895,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nc2)o1,VTBSWUAJMOCHHV-UHFFFAOYSA-N,2,1,0.293,38,171,433.435,3.669,6,0.41,0.75,1.0,0.11690425604824892,0.14263073127270234,0.3157340141182921,0.30079329723802345,0.2190155746693167
EOS-2-23896,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cc2)o1,GJJDLRYCQUNUKH-UHFFFAOYSA-N,2,1,0.305,42,339,433.435,3.669,6,0.41,0.72,1.0,0.14124288945240215,0.13158796518401755,0.3194777602631759,0.2914896168871222,0.22094955794667948
EOS-2-23897,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnco6)c5)n34)cc2)cn1,NJBCKFZNYXRRCQ-UHFFFAOYSA-N,2,1,0.289,42,725,433.435,3.669,6,0.41,0.64,1.0,0.16333698855458845,0.1315965321088342,0.367726680830649,0.3288328421629772,0.2478732609142622
EOS-2-23898,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnco6)c5)n34)cc2)nn1,KJFKECOOQDAMIR-UHFFFAOYSA-N,2,1,0.293,9,424,433.435,3.669,6,0.41,0.62,1.0,0.17419128229730657,0.12498286615036666,0.3566068124186142,0.32884140908779386,0.24615559248852031
EOS-2-23899,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccccn6)n5)n34)cc2)o1,BBJGQTLEWCLHEG-UHFFFAOYSA-N,2,1,0.291,38,186,433.435,3.669,6,0.41,0.74,0.997,0.1385186073607018,0.1316050990336509,0.22134363648824618,0.22061544787882942,0.17802069769035705
EOS-2-23900,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cc2)nn1,ILCSJWBZLDKDAC-UHFFFAOYSA-N,2,1,0.289,38,270,433.435,3.669,6,0.41,0.62,1.0,0.13852717428551847,0.11495099719004866,0.30818655335480777,0.28564697416215473,0.2118279247481324
EOS-2-23901,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)nn1,FJBSSOMPXATKIF-UHFFFAOYSA-N,2,1,0.357,38,193,433.435,3.669,6,0.41,0.69,1.0,0.17694126516345693,0.12499143307518333,0.22465046946747996,0.2122112946336783,0.18469861558494963
EOS-2-23902,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cc2)n1,WFEZZKYQSDYERN-UHFFFAOYSA-N,2,1,0.297,38,725,433.435,3.669,6,0.41,0.63,1.0,0.1552840792269207,0.12843533685148378,0.31188746487560826,0.28565554108697144,0.22031560551024604
EOS-2-23903,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)nc2)no1,UEEJFCLNHBSLDC-UHFFFAOYSA-N,2,1,0.275,94,106,433.435,3.669,6,0.41,0.64,1.0,0.09637790418751285,0.11495956411486533,0.2679391405661024,0.27973579603865395,0.18975310122678363
EOS-2-23904,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)nc2)o1,HPVJLSHZQDAKMD-UHFFFAOYSA-N,2,1,0.292,32,935,433.435,3.669,6,0.41,0.62,1.0,0.12482866150366664,0.114968131039682,0.13959803988760194,0.14873038174216982,0.1320313035432801
EOS-2-23905,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)cn2)o1,CLUNYXXPLDOIEM-UHFFFAOYSA-N,2,1,0.333,42,106,433.435,3.669,6,0.41,0.76,1.0,0.17144129943115619,0.10879137824686451,0.24998286615036666,0.2233911315194298,0.18840166883695428
EOS-2-23906,Cc1noc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)nc2)n1,SHQPDYQGLZGVRI-UHFFFAOYSA-N,2,1,0.293,32,935,433.435,3.669,6,0.41,0.64,1.0,0.14672572133506956,0.12128195462956617,0.13960660681241863,0.1437615653485025,0.1378439620313892
EOS-2-23907,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)o1,YLRNGYSFKWQNOI-UHFFFAOYSA-N,2,1,0.297,94,167,433.435,3.669,6,0.41,0.65,1.0,0.18004249194709068,0.1541960797752039,0.37159036392296624,0.3194777602631759,0.2563266739771092
EOS-2-23908,c1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)cn2)nc1,VRQGCUFJLBFGPR-UHFFFAOYSA-N,2,1,0.411,40,318,433.435,3.826,6,0.436,0.73,1.0,0.5155661023918854,0.4309934206017408,0.3640771708587485,0.3194863271879926,0.4075307552600918
EOS-2-23909,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccncc6)n5)n34)cc2)o1,LJWPLMOGUNBMKR-UHFFFAOYSA-N,2,1,0.329,42,303,433.435,3.669,6,0.41,0.72,1.0,0.13067987115345076,0.11792372010143239,0.29752073195805634,0.2767973408265369,0.20573041600986908
EOS-2-23910,Cc1noc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)cn2)n1,DNWZBMQJQGYVQS-UHFFFAOYSA-N,2,1,0.299,94,321,433.435,3.669,6,0.41,0.83,1.0,0.18005105887190734,0.12844390377630047,0.16107532040298814,0.19195051744225894,0.16538020012336374
EOS-2-23911,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)o1,FENNMRUYLKGEEA-UHFFFAOYSA-N,2,1,0.289,42,171,433.435,3.669,6,0.41,0.78,1.0,0.12205297786306628,0.12845247070111712,0.3081951202796244,0.2976663696799397,0.2140917346309369
EOS-2-23912,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cc2)cn1,BSKQGMXGTAFJGH-UHFFFAOYSA-N,2,1,0.307,42,725,433.435,3.669,6,0.41,0.69,1.0,0.1828781440614077,0.12129052155438284,0.3566153793434309,0.3134809128915085,0.2435662394626825
EOS-2-23913,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nc2)o1,XSBOJARPTLPESN-UHFFFAOYSA-N,2,1,0.305,70,723,433.435,3.669,6,0.41,0.73,1.0,0.14988691659241998,0.12129908847919951,0.24634192310328284,0.23838324994859844,0.1889777945308752
EOS-2-23914,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)nc2)n1,SOJRINBXDKMPDE-UHFFFAOYSA-N,2,1,0.283,70,392,433.435,3.669,6,0.41,0.73,1.0,0.11115584949626482,0.09889658008361318,0.22465903639229662,0.22643238982934685,0.16528596395038037
EOS-2-23915,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)cn5)n34)cc2)o1,AJAHQSYHQUZYJD-UHFFFAOYSA-N,2,1,0.306,42,761,433.435,3.669,6,0.41,0.74,1.0,0.1441556438900692,0.13514323898293468,0.3413062846960455,0.29767493660475636,0.22957002604345145
EOS-2-23916,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)c(-c2cnccn2)n1,YRDDENVCCRKIJH-UHFFFAOYSA-N,2,1,0.282,70,790,433.435,3.669,6,0.41,0.65,0.996,0.13336988554588444,0.09259132341854567,0.2427866493043657,0.23242923720101433,0.17529427386745255
EOS-2-23917,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ncccn6)c5)n34)cn2)o1,ZVGWDTMHIWRMOL-UHFFFAOYSA-N,2,1,0.302,42,723,433.435,3.669,6,0.41,0.74,1.0,0.17144986635597287,0.10879994517168118,0.23555616475909807,0.20320745665136042,0.17975335823452815
EOS-2-23918,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cc2)o1,MFXLAILSBOGDBS-UHFFFAOYSA-N,2,1,0.286,38,303,433.435,3.669,6,0.41,0.68,1.0,0.15529264615173738,0.09890514700842985,0.3866767185251182,0.3386419710780618,0.2448791206908368
EOS-2-23919,c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5)n34)cc2)nc1,YLWDUKVBAFGEPR-UHFFFAOYSA-N,2,1,0.5,77,323,433.431,4.696,6,0.385,0.77,1.0,0.5624614488383249,0.40357069426358716,0.5943218422315126,0.5527465560962237,0.5282751353574121
EOS-2-23920,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cc1,GCIHAZHRLHOCTO-UHFFFAOYSA-N,2,1,0.469,12,323,433.431,4.696,6,0.385,0.74,1.0,0.5938506613665958,0.40819683366458775,0.5687495716537592,0.5333424713864711,0.5260348845178534
EOS-2-23921,c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cn5)n34)cc2)cc1,DYAVXXIRYNLKNA-UHFFFAOYSA-N,2,1,0.415,12,285,433.431,4.696,6,0.385,0.69,1.0,0.5494739908162566,0.4130285792611884,0.5687581385785758,0.5463042286340896,0.5193912343225275
EOS-2-23922,c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5)n34)cn2)cc1,BVIHWHDVZPAQCA-UHFFFAOYSA-N,2,1,0.475,12,220,433.431,4.696,6,0.385,0.73,1.0,0.4906020834761154,0.3266482763347269,0.5556935782331575,0.5364179973956549,0.4773404838599136
EOS-2-23923,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,DXYNJTNVOUDASY-UHFFFAOYSA-N,2,1,0.789,91,781,433.422,3.487,5,0.408,0.75,1.0,0.9166352546090055,0.8271023233500103,0.7214036049619629,0.6963881844972929,0.7903823418545679
EOS-2-23924,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)cn1,RONBTVFJJWLSFS-UHFFFAOYSA-N,2,1,0.675,15,519,433.422,4.066,5,0.385,0.72,1.0,0.6165701459803988,0.6923445959838257,0.7491775752175999,0.6615807689671716,0.6799182715372489
EOS-2-23925,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1F,CMHIZORDBLGZDH-UHFFFAOYSA-N,2,1,0.654,91,70,433.422,3.487,5,0.408,0.68,1.0,0.7831282982660545,0.7872061544787883,0.7290367349736139,0.7372095812487149,0.7591451922417929
EOS-2-23926,Cn1cc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1c(F)cccc1F,HVEVJHKUHLCKSZ-UHFFFAOYSA-N,2,1,0.494,84,795,433.422,3.487,5,0.408,0.66,1.0,0.6108560071276814,0.5480261805222397,0.5911092454252621,0.5998989102871634,0.5874725858405867
EOS-2-23927,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(CF)c4)n23)cc1F,JULWKSZNKRTMBA-UHFFFAOYSA-N,2,1,0.5,16,256,433.422,3.774,5,0.405,0.64,1.0,0.7631759303680351,0.5340021245973545,0.8008789664861902,0.7236652731135631,0.7054305736412858
EOS-2-23928,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(F)c(F)c1,YNSLETHNZFRXCV-UHFFFAOYSA-N,2,1,0.553,95,998,433.422,3.487,5,0.408,0.79,1.0,0.4906106504009321,0.3843722157494346,0.6818501130834076,0.6731118497704064,0.5574862072510451
EOS-2-23929,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)nn1C,YKBNPEZGAGIOMQ-UHFFFAOYSA-N,2,1,0.536,43,630,433.422,3.752,5,0.42,0.75,1.0,0.5415153176615722,0.5108285929682681,0.5911178123500788,0.5592745528065246,0.550684068946611
EOS-2-23930,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)cc1,KIFOMMBYVSCTNN-UHFFFAOYSA-N,2,1,0.662,91,520,433.422,3.487,5,0.408,0.75,1.0,0.8591597560139812,0.783111164416421,0.6871359056952916,0.6761531080803235,0.7513899835515043
EOS-2-23931,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccc(F)cc1,MIXYBKYQMSIWCQ-UHFFFAOYSA-N,2,1,0.523,95,835,433.422,3.487,5,0.408,0.74,1.0,0.5290161743540539,0.4443406894661092,0.6459718319512028,0.6615893358919882,0.5702295079158385
EOS-2-23932,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2F)cn1,PLTUIPZJSBVARU-UHFFFAOYSA-N,2,1,0.545,37,589,433.422,3.487,5,0.408,0.7,1.0,0.6997464190254267,0.667834624083339,0.7315468439448976,0.6991210335138098,0.6995622301418684
EOS-2-23933,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cc2F)cn1,DAQZGASLQWQVNX-UHFFFAOYSA-N,2,1,0.558,37,563,433.422,3.487,5,0.408,0.7,1.0,0.7089301624288945,0.6824754985950243,0.7263724213556302,0.6878298266054417,0.7014019772462476
EOS-2-23934,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cn1,NHAFRYFIZYSDMB-UHFFFAOYSA-N,2,1,0.716,84,360,433.422,3.487,5,0.408,0.75,1.0,0.872575560276883,0.7743214995545199,0.6736344321842231,0.629720375573984,0.7375629668974026
EOS-2-23935,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)cc2)cn1,HPFSUJKDEZJZAM-UHFFFAOYSA-N,2,1,0.547,37,519,433.422,3.487,5,0.408,0.69,1.0,0.7424097046124323,0.6580768967171544,0.7468730724419163,0.6906997464190254,0.709514855047632
EOS-2-23936,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cc2F)cn1,FCWHGIBODKQNMQ-UHFFFAOYSA-N,2,1,0.523,37,639,433.422,3.487,5,0.381,0.67,1.0,0.7059574395175108,0.6678431910081557,0.7031474881776437,0.6615979028168049,0.6846365053800287
EOS-2-23937,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)n1,DSRVMVOBSJPXQR-UHFFFAOYSA-N,2,1,0.659,15,889,433.422,4.066,5,0.385,0.76,1.0,0.7117486806935782,0.7348708107737647,0.6953430196696594,0.6091597560139812,0.6877805667877459
EOS-2-23938,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)c(F)c1,AERPJVLMDLZYOA-UHFFFAOYSA-N,2,1,0.494,26,563,433.422,3.487,5,0.408,0.75,1.0,0.7570505791241177,0.6535878281132205,0.6573315742581043,0.6359228291412514,0.6759732026591735
EOS-2-23939,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c(F)c1,YGBVUTHDFLHFNT-UHFFFAOYSA-N,2,1,0.5,26,589,433.422,3.487,5,0.408,0.68,1.0,0.7915667192104722,0.682484065519841,0.7005774107326435,0.673120416695223,0.711937153039545
EOS-2-23940,Cn1cnc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)c1,YKPSBORMEZFSLG-UHFFFAOYSA-N,2,1,0.462,18,503,433.422,3.487,5,0.408,0.7,1.0,0.6193029949969159,0.4706754163525461,0.6707902131450895,0.6616064697416215,0.6055937735590432
EOS-2-23941,Cn1c(F)cnc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,WWSZMJXMBAHEOH-UHFFFAOYSA-N,2,1,0.575,15,438,433.422,3.487,5,0.381,0.68,1.0,0.7717514221095195,0.6241518744431499,0.6365653485025016,0.5910150092522788,0.6558709135768623
EOS-2-23942,CCn1cc(-c2nc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ccc2F)cn1,ZYRUNDGHIKTISY-UHFFFAOYSA-N,2,1,0.529,4,32,433.422,3.927,5,0.404,0.7,1.0,0.5237646494414365,0.6241604413679666,0.6100250154204647,0.5968747858268796,0.5887062230141868
EOS-2-23943,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cc1F,CXHDSDWIZDTONC-UHFFFAOYSA-N,2,1,0.545,26,563,433.422,3.487,5,0.408,0.72,1.0,0.8525803577547804,0.6923531629086424,0.7106606812418614,0.6731289836200397,0.7321807963813309
EOS-2-23944,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)c1,YQQPISRPCLGIFN-UHFFFAOYSA-N,2,1,0.704,84,360,433.422,3.487,5,0.408,0.71,1.0,0.9079055582208211,0.8410749777259955,0.7367126996093483,0.6851912137619081,0.7927211123295184
EOS-2-23945,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1F,FBSRUVJMZLNXAD-UHFFFAOYSA-N,2,1,0.511,26,639,433.422,3.487,5,0.381,0.69,1.0,0.8568209855390309,0.6972448769789596,0.6843345212802412,0.644498320882736,0.7207246761702419
EOS-2-23946,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)ccn2)c1,AKIKIDUUTRPZHP-UHFFFAOYSA-N,2,1,0.619,75,276,433.422,3.487,5,0.408,0.67,1.0,0.7717599890343362,0.6535963950380371,0.7263809882804468,0.6791686656157906,0.7077265094921528
EOS-2-23947,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)cc1,JOZFCRXONMTYHD-UHFFFAOYSA-N,2,1,0.628,91,475,433.422,3.487,5,0.408,0.65,1.0,0.6788002878486739,0.6727434720032897,0.7343053937358646,0.7184051812761291,0.7010635837159893
EOS-2-23948,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)cn1,CMLVXEFEXBAMIX-UHFFFAOYSA-N,2,1,0.704,84,360,433.422,3.487,5,0.408,0.77,1.0,0.7802412446028374,0.702470701117127,0.7768573093002535,0.7211380302926461,0.7451768213282159
EOS-2-23949,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)n1,CWMFMZKOTBCXDQ-UHFFFAOYSA-N,2,1,0.704,84,360,433.422,3.487,5,0.408,0.7,1.0,0.8185353985333425,0.7397025563703653,0.7186621890206292,0.6672863408950723,0.7360466212048523
EOS-2-23950,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2F)n1,DQNULFRVUUXAEY-UHFFFAOYSA-N,2,1,0.533,37,589,433.422,3.487,5,0.408,0.63,1.0,0.7392228085806319,0.7164090877938455,0.6736429991090398,0.6474196422452196,0.6941736344321843
EOS-2-23951,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1F,NZQKMLIQGXSHHX-UHFFFAOYSA-N,2,1,0.595,35,669,433.422,3.487,5,0.381,0.67,1.0,0.9064663148516209,0.8445445822767459,0.6818586800082242,0.6359313960660681,0.7672002433006648
EOS-2-23952,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)cc1,MPVQMMIHGCMZRT-UHFFFAOYSA-N,2,1,0.585,91,70,433.422,3.487,5,0.408,0.65,1.0,0.7212665341648962,0.7486721266534165,0.7443886642450825,0.7318124186142142,0.7365349359194023
EOS-2-23953,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)cn1,VMSFOKYAKKHHFK-UHFFFAOYSA-N,2,1,0.543,84,672,433.422,3.487,5,0.408,0.73,1.0,0.8133524090192584,0.692361729833459,0.7315554108697142,0.6937495716537592,0.7327547803440477
EOS-2-23954,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cn1,LDQHTAAIJMPSDA-UHFFFAOYSA-N,2,1,0.554,84,73,433.422,3.487,5,0.408,0.71,1.0,0.8212596806250428,0.6580854636419711,0.7367212665341649,0.6878383935302583,0.7259762010828592
EOS-2-23955,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)cn1,YZVDVPRFKIVVSK-UHFFFAOYSA-N,2,1,0.59,84,308,433.422,3.487,5,0.408,0.7,1.0,0.5938592282914125,0.3653365088067987,0.7793160167226373,0.7288653964772805,0.6168442875745322
EOS-2-23956,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)ccn2)c1,HYDUEFJHFXZHAX-UHFFFAOYSA-N,2,1,0.588,84,276,433.422,3.487,5,0.408,0.66,1.0,0.771768555959153,0.6875556850113084,0.7214121718867795,0.6851997806867247,0.7164840483859913
EOS-2-23957,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2F)cn1,YMNKFMUSHBVSBF-UHFFFAOYSA-N,2,1,0.602,37,669,433.422,3.487,5,0.381,0.73,1.0,0.7660201494071688,0.7119114522650949,0.7815262833253376,0.7263638544308135,0.7464554348571038
EOS-2-23958,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cn2)c1,XIZGJHTUYAMPEZ-UHFFFAOYSA-N,2,1,0.552,84,276,433.422,3.487,5,0.408,0.71,1.0,0.8388133095743951,0.7916352546090055,0.7214207388115962,0.6702590638064561,0.7555320917003632
EOS-2-23959,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)nc1F,IDXHGCNFIMZXHS-UHFFFAOYSA-N,2,1,0.533,19,442,433.422,3.487,5,0.381,0.7,1.0,0.742418271537249,0.5814628880816942,0.6653073812624221,0.6415941333698856,0.6576956685628128
EOS-2-23960,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cc2F)n1,SPVFWSVFZFBDAO-UHFFFAOYSA-N,2,1,0.565,37,619,433.422,3.487,5,0.408,0.67,1.0,0.759980467411418,0.7024792680419437,0.7391200054828319,0.7045438969227606,0.7265309094647385
EOS-2-23961,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccn1,FDAHTPBWNUWFJB-UHFFFAOYSA-N,2,1,0.675,75,360,433.422,3.487,5,0.408,0.68,1.0,0.8185439654581591,0.5156175039407854,0.7607086560208347,0.7074395175107944,0.7005774107326435
EOS-2-23962,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)nc1,ZSHPPRMQWOUCDE-UHFFFAOYSA-N,2,1,0.595,84,308,433.422,3.487,5,0.408,0.79,1.0,0.8265283393872935,0.5664622027277089,0.7559797135220341,0.707448084435611,0.7141045850181618
EOS-2-23963,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)cn1,ZNIKTUNGCSPKAE-UHFFFAOYSA-N,2,1,0.517,84,503,433.422,3.487,5,0.408,0.74,1.0,0.4931036255225824,0.3509954766636968,0.765394763895552,0.7157323007333287,0.5813065417037899
EOS-2-23964,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,LKVJGSXSSLZAKJ-UHFFFAOYSA-N,2,1,0.778,91,781,433.422,3.487,5,0.408,0.77,1.0,0.8725841272016996,0.7024878349667604,0.7132136248372284,0.6791772325406072,0.7418657048865739
EOS-2-23965,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)n1C,WTAAVKCFZJPVJK-UHFFFAOYSA-N,2,1,0.487,74,121,433.422,4.164,5,0.414,0.79,1.0,0.49061921732574876,0.5480347474470564,0.7963556301829895,0.7103265711740113,0.6363340415324515
EOS-2-23966,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1F,CNILVADYVYJXRV-UHFFFAOYSA-N,2,1,0.696,91,70,433.422,3.487,5,0.408,0.75,1.0,0.8133609759440751,0.7659687478582689,0.660072990199438,0.6645192241792885,0.7259804845452675
EOS-2-23967,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)nc2F)n1,PKBBQUNYFBQPBK-UHFFFAOYSA-N,2,1,0.581,19,442,433.422,3.487,5,0.381,0.7,1.0,0.6052789390720307,0.5294359536700706,0.6219501747652663,0.59990747721198,0.5891431361798369
EOS-2-23968,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cn2)cn1,NTCNHOPBYBRTNC-UHFFFAOYSA-N,2,1,0.538,84,672,433.422,3.487,5,0.408,0.78,1.0,0.6539048043314372,0.6629771777122884,0.7559882804468508,0.7131279555890617,0.6964995545199095
EOS-2-23969,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1F,GKVJMQDQYCWJKS-UHFFFAOYSA-N,2,1,0.61,37,669,433.422,3.487,5,0.381,0.76,1.0,0.7660287163319854,0.6483962716743198,0.7443972311698992,0.6963967514221096,0.7138047426495784
EOS-2-23970,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)cc1F,SNIANASEGMBNPN-UHFFFAOYSA-N,2,1,0.61,43,520,433.422,3.927,5,0.404,0.71,1.0,0.8409293400041121,0.7659773147830855,0.6707987800699061,0.6822955931738743,0.7400002570077445
EOS-2-23971,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)nc2)n1,YEYIPTBXGTWYFF-UHFFFAOYSA-N,2,1,0.5,84,442,433.422,3.487,5,0.408,0.73,1.0,0.5908693715303954,0.5067935713796176,0.7056747309985607,0.6557895277911041,0.6147818004249195
EOS-2-23972,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nc2F)n1,QQYKRKVXRURXQU-UHFFFAOYSA-N,2,1,0.539,19,442,433.422,3.487,5,0.381,0.7,1.0,0.6108645740524982,0.5202864779658694,0.6219587416900829,0.6027773970255637,0.5889717976835035
EOS-2-23973,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)nc2)n1,LUQZEJADJDINJW-UHFFFAOYSA-N,2,1,0.506,84,442,433.422,3.487,5,0.408,0.75,1.0,0.5819426358714276,0.52491261736687,0.7005859776574601,0.6585823452813379,0.6165058940442739
EOS-2-23974,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2F)cn1,FHCUXNBGTWXLTD-UHFFFAOYSA-N,2,1,0.571,35,619,433.422,3.487,5,0.408,0.72,1.0,0.7392313755054486,0.6776694537728737,0.7768658762250702,0.7372181481735316,0.7327462134192311
EOS-2-23975,Cn1ccnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,IAPCAKTWWPYYQB-UHFFFAOYSA-N,2,1,0.512,27,69,433.422,4.103,5,0.401,0.74,1.0,0.7117572476183949,0.5762113631690768,0.7940853951065725,0.6761616750051401,0.6895539202247961
EOS-2-23976,Cn1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)n1,NPTDYABKFUADLJ-UHFFFAOYSA-N,2,1,0.456,37,503,433.422,3.487,5,0.408,0.76,1.0,0.4831831265848811,0.4264957850729902,0.6459803988760194,0.6445068878075526,0.5500415495853608
EOS-2-23977,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)cn1,XDROSPMREKKFFE-UHFFFAOYSA-N,2,1,0.506,27,988,433.422,4.103,5,0.401,0.73,1.0,0.5518384620656569,0.5108371598930848,0.8643256116784319,0.763047426495785,0.6725121650332396
EOS-2-23978,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)c1,SXEDZCVFIIVJOL-UHFFFAOYSA-N,2,1,0.452,2,328,433.422,3.927,5,0.404,0.69,1.0,0.5736498526488931,0.45301041738057707,0.787754437667055,0.744919813583716,0.6398336303200602
EOS-2-23979,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1,PNQKTJSZCNFJCO-UHFFFAOYSA-N,2,1,0.561,43,520,433.422,3.927,5,0.404,0.65,1.0,0.8265369063121102,0.6727520389281064,0.6927129737509423,0.6852083476115414,0.7193025666506752
EOS-2-23980,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)nc2)cn1,BHGSAJUFYMKJPR-UHFFFAOYSA-N,2,1,0.61,84,308,433.422,3.487,5,0.408,0.79,1.0,0.7273147830854636,0.49288088547734904,0.7793245836474539,0.7236738400383799,0.6807985230621616
EOS-2-23981,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cn2)n1,UPARSCJSVFTUKN-UHFFFAOYSA-N,2,1,0.538,84,672,433.422,3.487,5,0.408,0.66,1.0,0.718096771982729,0.702496401891577,0.695351586594476,0.6585909122061545,0.6936339181687341
EOS-2-23982,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)nc2)cn1,MGKRTDFYOYZBTP-UHFFFAOYSA-N,2,1,0.5,84,73,433.422,3.487,5,0.408,0.81,1.0,0.5653913371256254,0.46636625316976216,0.7629017887739017,0.7131365225138784,0.6269489753957919
EOS-2-23983,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cn1,NZRIKORCIBZSCZ-UHFFFAOYSA-N,2,1,0.707,84,360,433.422,3.487,5,0.408,0.75,1.0,0.8968028236584196,0.7119200191899115,0.7538037146186005,0.7019823864025769,0.7661272359673772
EOS-2-23984,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)cn2)c1,OSCHJNACZNMFEK-UHFFFAOYSA-N,2,1,0.56,84,276,433.422,3.487,5,0.408,0.75,1.0,0.8028664930436571,0.8039202247961071,0.713222191762045,0.6731375505448565,0.7482866150366664
EOS-2-23985,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1F,MPLYAANXLSOPNI-UHFFFAOYSA-N,2,1,0.533,26,589,433.422,3.487,5,0.408,0.67,0.999,0.8363032006031115,0.687564251936125,0.7132307586868618,0.685216914536358,0.7305787814406142
EOS-2-23986,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccc(F)cc1,OGFLYUIPUWPTIE-UHFFFAOYSA-N,2,1,0.473,95,266,433.422,3.487,5,0.408,0.72,0.998,0.49806387499143306,0.4530189843053937,0.5654684394489754,0.6060670961551642,0.5306545987252416
EOS-2-23987,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)cn1,XKJCYRBNQCRGBC-UHFFFAOYSA-N,2,1,0.473,55,109,433.422,3.927,5,0.404,0.77,1.0,0.6817044753615242,0.5524895483517237,0.7343139606606812,0.6907083133438421,0.6648040744294428
EOS-2-23988,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1F,ZJZRIFGDZSMQBM-UHFFFAOYSA-N,2,1,0.527,26,125,433.422,3.487,5,0.408,0.64,1.0,0.7972380234391063,0.6875728188609417,0.7158522376807621,0.6907168802686587,0.7228449900623672
EOS-2-23989,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1ccc(F)cc1,HZHIJUJPZGJUNB-UHFFFAOYSA-N,2,1,0.472,95,266,433.422,3.487,5,0.408,0.76,1.0,0.48069871838804745,0.4530275512302104,0.5149492838050853,0.5659224864642588,0.5036495099719005
EOS-2-23990,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccn1,CTBWWWKZISDHJQ-UHFFFAOYSA-N,2,1,0.622,59,624,433.422,3.927,5,0.404,0.71,1.0,0.7149955451990954,0.5156260708656021,0.7607172229456515,0.7074566513604277,0.6746988725926941
EOS-2-23991,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ccc(F)c(F)c1,RQYDHNCZPPGWOX-UHFFFAOYSA-N,2,1,0.533,95,266,433.422,3.487,5,0.408,0.72,1.0,0.4906277842505654,0.39882461791515317,0.5814457542320609,0.5910235761770954,0.5154804331437188
EOS-2-23992,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2)cn1,AXDUCSNMEVDERX-UHFFFAOYSA-N,2,1,0.588,15,519,433.422,4.066,5,0.385,0.74,1.0,0.6361712699609349,0.6776780206976903,0.8087691042423412,0.7211465972174628,0.7109412480296072
EOS-2-23993,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1F,HCZIVZUDHUEPBI-UHFFFAOYSA-N,2,1,0.554,16,253,433.422,3.752,5,0.393,0.79,0.975,0.5466983071756563,0.5524981152765404,0.767767802069769,0.6878469604550751,0.6387027962442602
EOS-2-23994,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cn1,XIVYQJZKIRYUIQ-UHFFFAOYSA-N,2,1,0.625,59,294,433.422,3.927,5,0.404,0.67,1.0,0.5518470289904736,0.5572013570008909,0.7538122815434172,0.6964053183469262,0.6398164964704269
EOS-2-23995,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cn1,HDHPWNRQCUSGLR-UHFFFAOYSA-N,2,1,0.467,59,109,433.422,3.927,5,0.404,0.73,1.0,0.6664553491878555,0.552506682201357,0.7315639777945309,0.6937581385785758,0.6610710369405798
EOS-2-23996,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccn1,PEKBDVGPKOUYCR-UHFFFAOYSA-N,2,1,0.484,24,910,433.422,3.927,5,0.404,0.66,1.0,0.6052875059968473,0.44867555342334314,0.7468816393667329,0.6937667055033925,0.623652851072579
EOS-2-23997,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccn1,ZFUVHKJMBPRLKY-UHFFFAOYSA-N,2,1,0.467,24,332,433.422,3.927,5,0.404,0.72,1.0,0.5879394832430951,0.44434925639092593,0.7158608046055788,0.6761702419299568,0.6060799465423892
EOS-2-23998,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5c(F)cncc5F)n34)c2)cn1,FFBCYOJTUUOBPR-UHFFFAOYSA-N,2,1,0.573,35,559,433.422,3.487,5,0.408,0.77,1.0,0.5763313001165101,0.5022274004523336,0.7419128229730656,0.6991296004386266,0.629900280995134
EOS-2-23999,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)cn1,IHSUKQWNMGAZSV-UHFFFAOYSA-N,2,1,0.566,35,545,433.422,3.487,5,0.408,0.69,1.0,0.7333715989308478,0.6824926324446576,0.8028065245699404,0.7604259475018847,0.7447741758618326
EOS-2-24000,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2F)n1,CQUZZEBZBQGDKU-UHFFFAOYSA-N,2,1,0.588,37,669,433.422,3.487,5,0.381,0.7,1.0,0.8001250771023234,0.7486806935782332,0.7263895552052635,0.6731461174696731,0.7370853608388732
EOS-2-24001,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cn2)c1,NYOAUGRYFRWZGF-UHFFFAOYSA-N,2,1,0.541,84,749,433.422,3.487,5,0.408,0.7,1.0,0.8313258172846275,0.7872147214036049,0.684343088205058,0.6502895620588034,0.7382932972380235
EOS-2-24002,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c(F)c1,MMZSGTIHQVGQPI-UHFFFAOYSA-N,2,1,0.547,37,619,433.422,3.487,5,0.408,0.67,1.0,0.780249811527654,0.6484048385991364,0.7263981221300801,0.6907254471934754,0.7114445548625865
EOS-2-24003,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)cn1,UGPCSKLQACTZRB-UHFFFAOYSA-N,2,1,0.5,59,109,433.422,3.752,5,0.42,0.75,1.0,0.5263347268864369,0.5340106915221712,0.7186707559454458,0.6616150366664382,0.610157802755123
EOS-2-24004,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cn1,LFZGDFLLCSSVSF-UHFFFAOYSA-N,2,1,0.602,59,294,433.422,3.927,5,0.404,0.73,1.0,0.7599890343362347,0.6054417106435473,0.7538208484682338,0.6991381673634433,0.7045974402028647
EOS-2-24005,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1F,ZEYGLFKWXLIZAG-UHFFFAOYSA-N,2,1,0.489,26,911,433.422,3.927,5,0.404,0.74,1.0,0.7424268384620657,0.5664707696525255,0.7920207662257556,0.739865327941882,0.7101959255705572
EOS-2-24006,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1,DJNYIQQWWIHUEA-UHFFFAOYSA-N,2,1,0.582,43,250,433.422,4.103,5,0.401,0.75,1.0,0.8502758549790967,0.548043314371873,0.8363717360016448,0.7753323966828867,0.7525058255088753
EOS-2-24007,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1,NMFZHIBLXLEFCR-UHFFFAOYSA-N,2,1,0.554,43,520,433.422,3.927,5,0.404,0.64,1.0,0.8455640463299294,0.6875813857857583,0.6980416009869097,0.6791857994654239,0.7275932081420053
EOS-2-24008,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2)n1,JNNVXXDLYLJYOZ-UHFFFAOYSA-N,2,1,0.512,27,430,433.422,4.103,5,0.401,0.77,1.0,0.6108731409773148,0.5108457268179014,0.8363803029264615,0.7184137482009458,0.6691282297306558
EOS-2-24009,FC(F)n1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cn1,INXLNHTXUWHJAR-UHFFFAOYSA-N,2,1,0.602,84,56,433.422,4.066,5,0.385,0.67,1.0,0.6965423891439929,0.5619645671989583,0.7793331505722706,0.7103351380988281,0.6870438112535124
EOS-2-24010,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)cn1,DYVLNZFCPLUMOY-UHFFFAOYSA-N,2,1,0.558,84,884,433.422,3.487,5,0.408,0.76,1.0,0.5312435748063875,0.45743095058597766,0.8087776711671578,0.7579244054554177,0.6388441505037352
EOS-2-24011,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cn2)n1,HCAIHVSIWNBUHO-UHFFFAOYSA-N,2,1,0.552,84,73,433.422,3.487,5,0.408,0.71,1.0,0.7089387293537112,0.677686587622507,0.7005945445822768,0.6557980947159208,0.6857544890686039
EOS-2-24012,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1,KHDSVINNWATOJB-UHFFFAOYSA-N,2,1,0.726,43,520,433.422,3.927,5,0.404,0.67,1.0,0.8842779795764513,0.7573589884175177,0.7132393256116785,0.6937752724282091,0.7621628915084642
EOS-2-24013,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)c2)n1,JDTSEXKHZNSUSI-UHFFFAOYSA-N,2,1,0.523,84,672,433.422,3.487,5,0.408,0.67,1.0,0.6080546227126311,0.5384569255020218,0.7491861421424165,0.713145089438695,0.6522106949489411
EOS-2-24014,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cn2)cn1,DDEHZWOLJRJNKT-UHFFFAOYSA-N,2,1,0.483,59,109,433.422,3.927,5,0.404,0.7,1.0,0.4857617709546981,0.4928894524021657,0.7315725447193475,0.690734014118292,0.6002394455486258
EOS-2-24015,Cn1nc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cc1-c1ccccc1,YSLVHTRBVUVRHG-UHFFFAOYSA-N,2,1,0.457,95,266,433.422,3.487,5,0.408,0.68,1.0,0.4659293400041121,0.3606161332328148,0.5317832910698376,0.5562761291206908,0.4786512233568638
EOS-2-24016,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)ccn1,JOFJBQYITJWZPZ-UHFFFAOYSA-N,2,1,0.602,84,749,433.422,3.487,5,0.408,0.69,1.0,0.6997549859502433,0.5068021383044342,0.7080563360975944,0.6761788088547734,0.6476980673017614
EOS-2-24017,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cc1-c1ccc(F)cc1,VYGAPMIEVOMMSO-UHFFFAOYSA-N,2,1,0.478,95,266,433.422,3.487,5,0.408,0.75,0.999,0.5237732163662532,0.47068398327736277,0.5619731341237749,0.5941333698855459,0.5376409259132342
EOS-2-24018,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cn1,KQSCIGXFWXSTSL-UHFFFAOYSA-N,2,1,0.641,59,294,433.422,3.752,5,0.42,0.73,1.0,0.6247429922555,0.5814714550065109,0.7391285724076485,0.6702676307312727,0.6539026626002331
EOS-2-24019,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1F,SJSUSYMAUKORHS-UHFFFAOYSA-N,2,1,0.576,26,125,433.422,3.487,5,0.381,0.69,1.0,0.8822904530189843,0.7255242957987801,0.7654033308203687,0.7157408676581455,0.7722397368240697
EOS-2-24020,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)cn1,OJIFEKYMXBHNOO-UHFFFAOYSA-N,2,1,0.544,84,749,433.422,3.487,5,0.408,0.74,1.0,0.8133695428688917,0.6678517579329724,0.7006031115070934,0.667294907819889,0.7122798300322116
EOS-2-24021,COc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4nccn4C)cn3)n12,MJLFIBXOYACUIM-UHFFFAOYSA-N,2,1,0.345,50,985,433.422,4.2,5,0.413,0.75,0.999,0.3357206497155781,0.3361489959564115,0.8066016722637243,0.6852254814611747,0.5409241998492221
EOS-2-24022,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1ccc(F)cc1,DWAUFVJCQLHAIX-UHFFFAOYSA-N,2,1,0.467,95,266,433.422,3.487,5,0.381,0.73,1.0,0.5263432938112536,0.4574395175107943,0.5317918579946542,0.5659310533890755,0.5203764306764443
EOS-2-24023,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1F,KKJWZQHSFCKLGJ-UHFFFAOYSA-N,2,1,0.552,26,161,433.422,3.487,5,0.408,0.69,1.0,0.8433794805016791,0.6825011993694743,0.7815348502501542,0.7345367007059146,0.7604880577068055
EOS-2-24024,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)cc5F)n34)cc2)n1,KIJPFQXXSISGSG-UHFFFAOYSA-N,2,1,0.5,37,889,433.422,3.487,5,0.408,0.73,1.0,0.7631844972928518,0.6972534439037763,0.6190202864779659,0.5848810910835447,0.6660848296895345
EOS-2-24025,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ccc2F)cn1,WJBTZKAEYSJVCZ-UHFFFAOYSA-N,2,1,0.512,16,394,433.422,3.927,5,0.404,0.68,1.0,0.5441110958810226,0.5249211842916867,0.7859982180796381,0.7372267150983483,0.6480643033376738
EOS-2-24026,Cc1nn(C)cc1COc1cncc2nnc(-c3ccc(-c4ccc(F)c(F)c4)cn3)n12,ICTGTSXNWXFSFN-UHFFFAOYSA-N,2,1,0.455,46,294,433.422,3.752,5,0.42,0.74,1.0,0.4080940305667877,0.42650435199780684,0.6818672469330409,0.6474282091700363,0.540973459666918
EOS-2-24027,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5c(F)cncc5F)n34)c2)c1,OEQXIUJIYHFROB-UHFFFAOYSA-N,2,1,0.56,35,559,433.422,3.487,5,0.408,0.69,1.0,0.72436776094853,0.6152422726338154,0.7006116784319101,0.6585994791309712,0.6747052977863066
EOS-2-24028,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccc2F)cn1,PWGAJBUHQQPLIZ-UHFFFAOYSA-N,2,1,0.566,37,394,433.422,3.487,5,0.408,0.7,1.0,0.7915752861352888,0.697262010828593,0.7815434171749709,0.7449283805085326,0.7538272736618462
EOS-2-24029,Cn1ncc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)c1-c1cccnc1,WBKYVGKDATXYOS-UHFFFAOYSA-N,2,1,0.545,84,672,433.422,3.487,5,0.408,0.7,1.0,0.5415238845863889,0.4795336166129806,0.6542731820985539,0.6673034747447056,0.5856585395106573
EOS-2-24030,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cc2)n1,MESCIOFSHUHWBT-UHFFFAOYSA-N,2,1,0.628,91,803,433.422,3.487,5,0.408,0.7,1.0,0.8055650743609074,0.7486892605030498,0.6600815571242546,0.632761633883901,0.7117743814680282
EOS-2-24031,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)nn1,FIKPYJGWFLYOPG-UHFFFAOYSA-N,2,1,0.731,91,781,433.422,3.487,5,0.408,0.75,1.0,0.6634312247275718,0.6102905900897814,0.744405798094716,0.7157494345829621,0.6834692618737579
EOS-2-24032,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1F,KTAWEGSXPHPMFJ-UHFFFAOYSA-N,2,1,0.581,26,669,433.422,3.487,5,0.381,0.69,1.0,0.882299019943801,0.7209238571722295,0.7629103556987183,0.7103437050236447,0.7691192344595984
EOS-2-24033,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)n1,OCNAMNXZQXXVIX-UHFFFAOYSA-N,2,1,0.778,91,781,433.422,3.487,5,0.408,0.71,1.0,0.8409379069289288,0.7442858611472826,0.7132478925364951,0.6645277911041053,0.740749862929203
EOS-2-24034,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccc2F)cn1,OKSMEUUEAQEMON-UHFFFAOYSA-N,2,1,0.539,37,394,433.422,3.487,5,0.408,0.67,1.0,0.6934925639092592,0.6923702967582757,0.7367298334589816,0.7103522719484614,0.7082362415187444
EOS-2-24035,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)cc2)n1,PBXYYGPJKLJLBM-UHFFFAOYSA-N,2,1,0.649,91,70,433.422,3.487,5,0.408,0.71,1.0,0.7944280720992393,0.7442944280720992,0.689860187786992,0.6558066616407374,0.721097337399767
EOS-2-24036,Cn1ccnc1-c1ccccc1-c1nnc2cncc(OCCc3c(F)ccnc3F)n12,CZLMIWKPXCTANY-UHFFFAOYSA-N,2,1,0.529,35,353,433.422,3.487,5,0.381,0.71,1.0,0.8107566307998081,0.6241690082927832,0.5586406003700911,0.5463127955589062,0.6349697587553972
EOS-2-24037,Cn1nncc1-c1cccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1,VULQGCLFZYFZSM-UHFFFAOYSA-N,2,1,0.561,43,138,433.422,4.103,5,0.401,0.74,1.0,0.6391953944212185,0.4882461791515318,0.8686861764101158,0.8136608183126585,0.7024471420738811
EOS-2-24038,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)cn1,JVNGJMGBHCUBCT-UHFFFAOYSA-N,2,1,0.571,35,161,433.422,3.487,5,0.408,0.72,1.0,0.7089472962785278,0.662985744637105,0.7963641971078061,0.75012850387225,0.7296064354739222
EOS-2-24039,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccc2F)cn1,FFZHXNGPICFKLC-UHFFFAOYSA-N,2,1,0.598,37,394,433.422,3.487,5,0.381,0.72,1.0,0.8055736412857241,0.7348793776985814,0.7860067850044548,0.7345452676307312,0.7652512679048729
EOS-2-24040,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1ccc(F)cc1,POLMRYXOTCPBFK-UHFFFAOYSA-N,2,1,0.523,95,835,433.422,3.487,5,0.408,0.72,1.0,0.5569529161812076,0.4443578233157426,0.6190288534027826,0.6445154547323693,0.5662137619080254
EOS-2-24041,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)ccc2F)cn1,HVCSXNLWJSOWLQ-UHFFFAOYSA-N,2,1,0.552,37,394,433.422,3.487,5,0.408,0.69,1.0,0.7424354053868824,0.7025049688163937,0.7343225275854979,0.6991467342882599,0.7196024090192584
EOS-2-24042,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccc(F)cc1,UYDIPEFMLLNVEG-UHFFFAOYSA-N,2,1,0.553,95,266,433.422,3.487,5,0.381,0.7,1.0,0.5850181618806113,0.49779830032211636,0.6247858268795833,0.6327702008087177,0.5850931224727571
EOS-2-24043,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(F)c5)n34)ccn2)cn1,IOLMZAJFHGMLAV-UHFFFAOYSA-N,2,1,0.605,84,752,433.422,3.487,5,0.408,0.77,1.0,0.4980724419162497,0.4706925502021794,0.7538294153930505,0.710360838873278,0.6082388115961894
EOS-2-24044,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)c1,ZRISQUMMCOVEDQ-UHFFFAOYSA-N,2,1,0.617,59,294,433.422,3.927,5,0.404,0.74,1.0,0.7915838530601056,0.682509766294291,0.7538379823178671,0.6878555273798918,0.7289467822630389
EOS-2-24045,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)c5)c4)n23)c1F,UWEHPCDMQWBONT-UHFFFAOYSA-N,2,1,0.506,16,394,433.422,3.752,5,0.42,0.71,1.0,0.5967120142553629,0.5867486806935782,0.820094578849976,0.7398738948666986,0.685857292166404
EOS-2-24046,Cn1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1ccc(F)cc1,XQIKAVSOROMFGS-UHFFFAOYSA-N,2,1,0.529,95,835,433.422,3.487,5,0.408,0.71,1.0,0.5441196628058392,0.44436639024055924,0.6365739154273182,0.664536358028922,0.5723990816256597
EOS-2-24047,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cn1,SNBSOFXKNASQPV-UHFFFAOYSA-N,2,1,0.467,2,884,433.422,3.927,5,0.404,0.72,1.0,0.4240627784250565,0.37032245905009936,0.7860153519292715,0.7345538345555479,0.5787386059899938
EOS-2-24048,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1F,VAYCGDNYGROBAD-UHFFFAOYSA-N,2,1,0.552,26,619,433.422,3.487,5,0.408,0.69,1.0,0.8785724076485505,0.6825183332191077,0.7581385785758344,0.7211551641422795,0.760096120896443
EOS-2-24049,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccccc1F,DSFTVLDXSQAZDG-UHFFFAOYSA-N,2,1,0.534,95,266,433.422,3.487,5,0.381,0.74,1.0,0.5415324515112055,0.43100198752655744,0.6008841066410802,0.6181721609211157,0.5478976766499897
EOS-2-24050,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1,KSMNUSLYWHKWJM-UHFFFAOYSA-N,2,1,0.761,1,640,433.418,4.762,5,0.37,0.81,1.0,0.8337159893084778,0.7301761359742307,0.9554091563292441,0.9281920361866904,0.8618733294496608
EOS-2-24051,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5nnnn5C)n34)ccc2F)nn1,ZAPAKJZAVXWZDI-UHFFFAOYSA-N,2,1,0.494,36,404,433.411,1.236,5,0.385,0.69,1.0,0.5130902611198684,0.5664793365773422,0.013784182030018504,0.021828524432869575,0.27879557604002464
EOS-2-24052,COc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1cn(C)nn1,CVDLKRFFZYYTQV-UHFFFAOYSA-N,2,1,0.441,49,128,433.407,2.103,5,0.397,0.57,0.985,0.3105424576793914,0.33615756288122817,0.16108388732780482,0.11245802206839833,0.2300604824892057
EOS-2-24053,OCCn1cc(-c2cnc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cn2)cn1,YYSYECZHRRLRSL-UHFFFAOYSA-N,2,1,0.421,92,828,433.407,1.55,5,0.38,0.64,1.0,0.31331814131999175,0.15787985744637106,0.16109245425262148,0.14646871359056954,0.19468979165238848
EOS-2-24054,COc1ccc(F)cc1-c1nnc2cncc(OCc3cccc(-c4nnnn4C)n3)n12,YXMTYPLCLZCEGF-UHFFFAOYSA-N,2,1,0.484,36,728,433.407,2.103,5,0.397,0.77,1.0,0.3380594201905284,0.38935816599273526,0.13961517373723528,0.12396340209718319,0.24774904050442054
EOS-2-24055,COc1cncc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)c(F)n4)n23)n1,DMQSEQDKBSYJMU-UHFFFAOYSA-N,2,1,0.361,7,94,433.407,2.103,5,0.371,0.59,1.0,0.42186107874717294,0.41303714618600507,0.17701836748680694,0.10348845178534713,0.278851261051333
EOS-2-24056,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)cc2F)cn1,VNRIZGZXJNCXMK-UHFFFAOYSA-N,2,1,0.465,51,610,433.407,2.103,5,0.397,0.62,1.0,0.515574669316702,0.41770612021108905,0.1834092934000411,0.12397196902199986,0.310165512987458
EOS-2-24057,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ncn(C)n1,MUNJJRZIBIYNEQ-UHFFFAOYSA-N,2,1,0.4,46,62,433.407,2.103,5,0.397,0.65,0.346,0.49063635117538207,0.3410578438763621,0.14538928106366938,0.09711465972174628,0.26854953395929
EOS-2-24058,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cn5)n34)cn2)cn1,UNEHTRGLWOLNMZ-UHFFFAOYSA-N,2,1,0.394,51,468,433.407,1.55,5,0.406,0.69,1.0,0.41481049962305533,0.2970238503186896,0.15166027002947022,0.12816976218216708,0.2479160955383456
EOS-2-24059,COc1ncncc1COc1cncc2nnc(-c3ccc(-c4cncn4C)c(F)n3)n12,JMGIKMPPGXGCHW-UHFFFAOYSA-N,2,1,0.378,31,62,433.407,2.104,5,0.371,0.6,0.995,0.5494825577410732,0.4035792611884038,0.22135220341306286,0.13016585566445069,0.32614496950174765
EOS-2-24060,COc1ncncc1COc1cncc2nnc(-c3ccc(-c4cnnn4C)cc3F)n12,QMVBUUGUDGJFCT-UHFFFAOYSA-N,2,1,0.457,36,79,433.407,2.103,5,0.397,0.66,1.0,0.4734853676924131,0.43992872318552534,0.26794770749091906,0.1862620793639915,0.3419059694332123
EOS-2-24061,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(CO)c(F)c4)n23)ccn1,HWFPRBIWOUFCBL-UHFFFAOYSA-N,2,1,0.505,36,895,433.407,1.587,5,0.424,0.66,1.0,0.6024775546569804,0.47496744568569665,0.2866236035912549,0.2797443629634706,0.4109532417243506
EOS-2-24062,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4nnnn4C)n23)c(F)c1,RPSMTCBLGXUWHQ-UHFFFAOYSA-N,2,1,0.435,36,404,433.407,2.103,5,0.397,0.73,1.0,0.4857703378795148,0.5294445205948872,0.12213008018641629,0.1147796586937153,0.3130311493386334
EOS-2-24063,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5n[nH]c(=O)n5C)c4)n23)c1F,MSEWBNUXGHJCOF-UHFFFAOYSA-N,2,1,0.411,2,36,433.407,1.697,5,0.443,0.59,1.0,0.40589233088890414,0.29703241724350626,0.1738571722294565,0.1487389486669865,0.2563802172572133
EOS-2-24064,COc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)n[nH]1,HEUGNPRSNCTCPA-UHFFFAOYSA-N,2,1,0.443,87,227,433.407,2.136,5,0.384,0.62,1.0,0.5312521417312042,0.4177146871359057,0.14539784798848604,0.10990507847303133,0.3010674388321568
EOS-2-24065,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(=O)n5C)n34)nc2)cn1,XULZFVLZKIQQEG-UHFFFAOYSA-N,2,1,0.357,92,924,433.407,1.399,5,0.408,0.67,1.0,0.3611044479473648,0.26579740936193547,0.10006168185868,0.0931738743060791,0.20503435336851483
EOS-2-24066,COc1cc(-c2nnc3cncc(OCc4nnnn4C)n23)ccc1-c1ccc(F)cn1,JRFYPBQTNZQYGQ-UHFFFAOYSA-N,2,1,0.435,36,638,433.407,2.103,5,0.397,0.72,1.0,0.5763398670413269,0.5572099239257077,0.14848194092248646,0.13675382084846824,0.3546963881844973
EOS-2-24067,Cn1nc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nn2)nc1CO,JAWYLHYXDUZLIX-UHFFFAOYSA-N,2,1,0.523,36,404,433.407,1.587,5,0.424,0.73,0.95,0.6788088547734905,0.6007299019943801,0.06380645603454184,0.087451168528545,0.3576990953327394
EOS-2-24068,N#Cc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(C#N)cc5)n34)c(F)c2)cc1,YIYIIMAYFBULNL-UHFFFAOYSA-N,2,1,0.512,1,230,433.406,4.528,5,0.409,0.77,1.0,0.9444434925639092,0.9282862723596738,0.9430128161195257,0.9321585223768076,0.9369752758549792
EOS-2-24069,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6C)cc5)n34)s2)s1,XNEICTMLXGZVGX-UHFFFAOYSA-N,2,1,0.353,93,270,466.595,6.322,6,0.304,0.7,1.0,0.13337845247070113,0.1783890754574738,0.4115122335686382,0.45614591186347747,0.29485641834007265
EOS-2-24070,Cc1cccc(-c2nc(C)sc2-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)c1,IIALNDDOEHKMKK-UHFFFAOYSA-N,2,1,0.281,32,818,466.595,6.322,6,0.304,0.66,1.0,0.07370125419779316,0.09891371393324652,0.3715989308477829,0.42464532931258997,0.24221480707285314
EOS-2-24071,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(CO)c(F)c5)n34)nc2)no1,DRQXGCZCSNPUQV-UHFFFAOYSA-N,2,1,0.54,4,677,433.403,2.755,5,0.43,0.66,1.0,0.6165787129052156,0.6007384689191968,0.4557775340963608,0.37416044136796656,0.5118137893221849
EOS-2-24072,COc1nc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)ccc1-c1noc(C)n1,DQVYLELSNUEJIY-UHFFFAOYSA-N,2,1,0.523,49,896,433.403,3.271,5,0.398,0.76,0.999,0.6725207319580563,0.5384654924268385,0.24999143307518334,0.19719347543005963,0.41454278322253446
EOS-2-24073,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1ncon1,DQCZMPHVJVFDAD-UHFFFAOYSA-N,2,1,0.538,35,604,433.403,3.006,5,0.382,0.67,1.0,0.8502844219039134,0.6338582002604345,0.44494894112809263,0.34170893016242887,0.5677001233637173
EOS-2-24074,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncco1,GHQDIEUXNUANEE-UHFFFAOYSA-N,2,1,0.452,49,501,433.403,3.006,5,0.382,0.59,1.0,0.7026848742375437,0.40358782811322047,0.28663217051607154,0.2032160235761771,0.3990302241107532
EOS-2-24075,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1nnco1,IIFRPKIVPKKJDU-UHFFFAOYSA-N,2,1,0.537,35,925,433.403,3.006,5,0.382,0.66,1.0,0.8591683229387979,0.610299157014598,0.46616064697416215,0.35778904804331435,0.5733542937427181
EOS-2-24076,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1noc(C)n1,MWBRYGYKADKVDR-UHFFFAOYSA-N,2,1,0.489,16,375,433.403,3.271,5,0.398,0.76,1.0,0.7775083955863203,0.6007470358440135,0.4082139675142211,0.2886282639983552,0.5187744157357276
EOS-2-24077,COc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)cc1,XQOSYNSTVKNWBY-UHFFFAOYSA-N,2,1,0.568,19,442,433.403,3.006,5,0.357,0.6,1.0,0.7513621410458502,0.5525152491261737,0.3940014392433692,0.29453087519703924,0.4981024261531081
EOS-2-24078,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ncon1,AEOFYGWXAVPYEJ-UHFFFAOYSA-N,2,1,0.553,15,604,433.403,3.006,5,0.357,0.68,1.0,0.8704166952230827,0.6484134055239531,0.45221369337262696,0.3288499760126105,0.5749734425330684
EOS-2-24079,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ncco1,DPTBSYXHAYHCFJ-UHFFFAOYSA-N,2,1,0.451,49,501,433.403,3.006,5,0.357,0.55,1.0,0.7212751010897128,0.43579089849907476,0.26416969364676857,0.18103625522582414,0.4005679871153451
EOS-2-24080,OCc1coc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)n1,CPAGXBYAIAORCW-UHFFFAOYSA-N,2,1,0.538,58,578,433.403,2.489,5,0.385,0.72,1.0,0.6539133712562538,0.5572184908505243,0.35662394626824756,0.29149818381193887,0.4648134980467411
EOS-2-24081,COc1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1ncon1,YTSQNCJPWRKMCY-UHFFFAOYSA-N,2,1,0.516,15,604,433.403,3.006,5,0.357,0.65,1.0,0.8615841957370982,0.6384757727366185,0.36021348776643136,0.26815331368651907,0.5321066924816668
EOS-2-24082,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1noc(C)n1,BSNWZCAJVPDIMO-UHFFFAOYSA-N,2,1,0.529,16,591,433.403,3.271,5,0.372,0.74,1.0,0.7513707079706669,0.5814800219313275,0.41537591666095536,0.27680590775135355,0.5062581385785758
EOS-2-24083,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ncon1,OKUJKJZEAMEUAO-UHFFFAOYSA-N,2,1,0.551,15,467,433.403,3.006,5,0.382,0.67,1.0,0.8745802206839832,0.6580940305667877,0.3940100061681859,0.3040144609690905,0.5576746795970119
EOS-2-24084,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1nc(C)no1,WTIKQIPKYMSCKA-UHFFFAOYSA-N,2,1,0.478,16,591,433.403,3.271,5,0.398,0.74,1.0,0.7915924199849222,0.5664879035021588,0.4265386196970735,0.297683503529573,0.5205756116784319
EOS-2-24085,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1nnco1,KNRXHYSSQCOXMC-UHFFFAOYSA-N,2,1,0.534,72,925,433.403,3.006,5,0.357,0.69,1.0,0.8859999314646014,0.6484219724487698,0.47313412377492975,0.3449900623672127,0.5881365225138785
EOS-2-24086,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(CO)c(F)c5)n34)cn2)no1,MZTKCRSHLPLTLB-UHFFFAOYSA-N,2,1,0.552,16,770,433.403,2.755,5,0.43,0.68,1.0,0.6877013227331917,0.557227057775341,0.4522222602974436,0.3775358097457337,0.5186716126379275
EOS-2-24087,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1ncno1,QYBYABBKSTUASD-UHFFFAOYSA-N,2,1,0.515,35,619,433.403,3.006,5,0.382,0.66,1.0,0.777516962511137,0.5762199300938935,0.4731426906997464,0.3613357549174148,0.5470538345555479
EOS-2-24088,Fc1cc(Cc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)ncc1-c1cncnc1,HMGJRDCEWGFGEZ-UHFFFAOYSA-N,2,1,0.379,14,81,433.397,4.311,5,0.411,0.71,1.0,0.44257590295387567,0.5961208964430128,0.9381211020492084,0.9251764786512233,0.72549859502433
EOS-2-24089,Cc1nc(-c2cccc(F)c2)cc(-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)n1,NPEBDECNIFLZLY-UHFFFAOYSA-N,2,1,0.31,96,315,433.397,4.695,5,0.409,0.75,0.985,0.2435576725378658,0.4530361181550271,0.8700568843807827,0.862466588993215,0.6072793160167227
EOS-2-24090,Fc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)ccn1,SENKTOZVMZCFJK-UHFFFAOYSA-N,2,1,0.561,57,80,433.393,4.85,5,0.371,0.72,1.0,0.9311304913988074,0.9282948392844904,0.9717462819546295,0.9693475430059626,0.9501297889109726
EOS-2-24091,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4F)n23)cc1,LBYKVTIIPFVFDU-UHFFFAOYSA-N,2,1,0.608,57,326,433.393,4.85,5,0.371,0.81,1.0,0.9532417243506272,0.9587416900829279,0.9696816530738126,0.9698101569460627,0.9628688061133576
EOS-2-24092,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(F)c5)c(F)cn4)n23)cc1,RXNMCQNGXVMMAO-UHFFFAOYSA-N,2,1,0.58,57,461,433.393,4.85,5,0.397,0.79,1.0,0.9461740113768762,0.9587502570077445,0.9582533753683777,0.9625368377767116,0.9564286203824275
EOS-2-24093,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)n1,SSEFUPHTPXISGF-UHFFFAOYSA-N,2,1,0.566,57,80,433.393,4.85,5,0.371,0.75,1.0,0.7453909944486328,0.8747258584058666,0.957165375916661,0.9564628880816942,0.8834362792132137
EOS-2-24094,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)cn2)cc1,OGISLNVFWWPGSZ-UHFFFAOYSA-N,2,1,0.57,57,801,433.393,4.85,5,0.397,0.8,1.0,0.927326776780207,0.94984065519841,0.9647128366801453,0.9667945994105955,0.9521687170173394
EOS-2-24095,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cn1,XLCZOYQZARMGCD-UHFFFAOYSA-N,2,1,0.536,57,962,433.393,4.85,5,0.371,0.75,1.0,0.912574532245905,0.9132770200808717,0.9710095264203962,0.9682595435542458,0.9412801555753547
EOS-2-24096,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)nc1,YXZJPGPAZJFJNA-UHFFFAOYSA-N,2,1,0.746,57,951,433.393,4.85,5,0.397,0.83,1.0,0.9863528887670482,0.9737338085120965,0.9684137482009458,0.9648242067027619,0.9733311630457131
EOS-2-24097,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2)cc1,IWCQLFUINJSNLY-UHFFFAOYSA-N,2,1,0.592,57,80,433.393,4.85,5,0.397,0.75,1.0,0.9461825783016928,0.9518110479062436,0.9633335617846618,0.9643101912137619,0.95640934480159
EOS-2-24098,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccn5)c4)n23)cc1F,UZXRDDPHFMJXGS-UHFFFAOYSA-N,2,1,0.62,57,13,433.393,4.85,5,0.397,0.77,1.0,0.9837399766979645,0.967068741004729,0.9668631348091289,0.9648327736275787,0.9706261565348503
EOS-2-24099,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nc2)c1,IMBJQPNSTSEXES-UHFFFAOYSA-N,2,1,0.628,57,80,433.393,4.85,5,0.397,0.77,1.0,0.9180573641285724,0.9539527791104105,0.9637619080254952,0.9648413405523953,0.9501533479542184
EOS-2-24100,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)cn1,PJZCPAZRJQMQAF-UHFFFAOYSA-N,2,1,0.608,57,962,433.393,4.85,5,0.371,0.74,1.0,0.97493317798643,0.9664519224179289,0.9729028168048797,0.9707782194503461,0.9712665341648962
EOS-2-24101,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)c1,KYKOEMHNTSNDGG-UHFFFAOYSA-N,2,1,0.466,57,560,433.393,4.85,5,0.397,0.81,1.0,0.8158196833664588,0.8115447878829415,0.9617572476183949,0.9658351038311288,0.888739205674731
EOS-2-24102,Fc1ccnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)c1,BXOZYMPQELUCIH-UHFFFAOYSA-N,2,1,0.688,57,11,433.393,4.85,5,0.397,0.78,1.0,0.9666146939894456,0.9283034062093071,0.967197244876979,0.9662977177712289,0.9571032657117402
EOS-2-24103,Fc1ccccc1-c1nnc2cncc(OCc3cncc(-c4cccc(F)c4F)c3)n12,MLCZGOKEYYZWMD-UHFFFAOYSA-N,2,1,0.524,57,962,433.393,4.85,5,0.397,0.76,1.0,0.9180659310533891,0.9132855870056884,0.9659893084778288,0.9668031663354122,0.9410359982180797
EOS-2-24104,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,SVDAYKABKGVNFM-UHFFFAOYSA-N,2,1,0.693,57,962,433.393,4.85,5,0.371,0.76,1.0,0.9580477691727778,0.937358645740525,0.9732626276471797,0.9703755739839627,0.9597611541361113
EOS-2-24105,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)nc1,FFPKYYSOGQRACB-UHFFFAOYSA-N,2,1,0.62,57,80,433.393,4.85,5,0.397,0.77,1.0,0.7860838873278048,0.8907974093619354,0.9617658145432115,0.9625454047015284,0.9002981289836199
EOS-2-24106,Fc1ccc(-c2ncc(F)cc2COc2cncc3nnc(-c4ccccc4F)n23)cc1,VFGCESWELISNHT-UHFFFAOYSA-N,2,1,0.556,57,798,433.393,4.85,5,0.397,0.78,1.0,0.9311390583236242,0.929725515728874,0.9374700157631417,0.9478702624905764,0.9365512130765541
EOS-2-24107,Fc1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)c1,UVDWJJIZQJRYCL-UHFFFAOYSA-N,2,1,0.553,57,146,433.393,4.85,5,0.397,0.75,1.0,0.9487183880474265,0.9518196148310603,0.9664947570420122,0.9687992598176959,0.9589580049345487
EOS-2-24108,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)c1,RCLUJNABSFGBJE-UHFFFAOYSA-N,2,1,0.582,57,962,433.393,4.85,5,0.371,0.74,1.0,0.9744705640463299,0.9606949489411281,0.972148927421013,0.9703841409087793,0.9694246453293126
EOS-2-24109,Fc1ccnc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)c1,STAFHIYHDUWVRU-UHFFFAOYSA-N,2,1,0.625,57,80,433.393,4.85,5,0.397,0.73,1.0,0.7631930642176684,0.8853745459529847,0.962913782468645,0.9643187581385786,0.8939500376944691
EOS-2-24110,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(F)c5)c4)n23)cc1,VJGLPPBHUZRLMC-UHFFFAOYSA-N,2,1,0.68,57,798,433.393,4.85,5,0.371,0.76,1.0,0.9820608594338976,0.9752501542046467,0.9729113837296964,0.972431635939963,0.9756635083270508
EOS-2-24111,Fc1cncc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)c1,NISCYCUSAOVMBA-UHFFFAOYSA-N,2,1,0.684,57,962,433.393,4.85,5,0.397,0.77,1.0,0.963222191762045,0.9312504283462408,0.972534439037763,0.972097525872113,0.9597761462545404
EOS-2-24112,Fc1cncc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)c1,IXGVKUZKLVJWMO-UHFFFAOYSA-N,2,1,0.518,57,962,433.393,4.85,5,0.397,0.74,1.0,0.9300253580974573,0.8880902611198684,0.9651154821465286,0.9673257487492289,0.9376392125282709
EOS-2-24113,Fc1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)c1,QPSRITHSFVULDI-UHFFFAOYSA-N,2,1,0.608,57,13,433.393,4.85,5,0.397,0.75,1.0,0.9787711603042971,0.9607035158659447,0.9721574943458297,0.9724402028647796,0.9710180933452128
EOS-2-24114,Fc1ccc(-c2nnc3cncc(OCc4ccncc4-c4ccc(F)c(F)c4)n23)cc1,CRRBTPYXDACFTD-UHFFFAOYSA-N,2,1,0.676,57,13,433.393,4.85,5,0.397,0.74,1.0,0.9873466520457816,0.9768778699198136,0.9732711945719964,0.9736053046398465,0.9777752552943595
EOS-2-24115,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)cc1F,ZMOQTCVEUYSWKP-UHFFFAOYSA-N,2,1,0.707,57,13,433.393,4.85,5,0.397,0.76,1.0,0.9830974573367144,0.9678140634637791,0.9672058118017957,0.9658436707559455,0.9709902508395587
EOS-2-24116,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)cc1F,DJKOWBSKAYCJDI-UHFFFAOYSA-N,2,1,0.556,57,80,433.393,4.85,5,0.397,0.74,1.0,0.9365876225070249,0.902594064834487,0.9732797614968131,0.9728428483311631,0.946326074292372
EOS-2-24117,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)c(F)c1F,WJLATOBFIBWAKG-UHFFFAOYSA-N,2,1,0.549,57,951,433.393,4.85,5,0.371,0.88,1.0,0.9518367486806936,0.9476389555205263,0.9633421287094784,0.9557861010211774,0.954650983482969
EOS-2-24118,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)c1,KORWXDDWYSKZIT-UHFFFAOYSA-N,2,1,0.506,96,3,433.393,5.261,5,0.378,0.91,1.0,0.6108817079021315,0.8981049962305531,0.9763467205811802,0.9753272565279967,0.8651651703104654
EOS-2-24119,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)nc1,BZGFFWAQGHONSY-UHFFFAOYSA-N,2,1,0.529,57,709,433.393,4.85,5,0.397,0.74,1.0,0.9287574532245905,0.8981135631553697,0.9617743814680282,0.9618172160921116,0.937615653485025
EOS-2-24120,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cc1,AXUPNHGDVVXOJM-UHFFFAOYSA-N,2,1,0.676,57,560,433.393,4.85,5,0.397,0.82,1.0,0.9311476252484409,0.8934188883558358,0.9668717017339455,0.9693561099307793,0.9401985813172504
EOS-2-24121,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)nc1,TZDIOHDILARRLH-UHFFFAOYSA-N,2,1,0.568,57,951,433.393,4.85,5,0.397,0.75,1.0,0.9817952847645809,0.9587588239325612,0.9655352614625454,0.962553971626345,0.9671608354465081
EOS-2-24122,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)nc2)c1,GWMIKRMOLPMDBL-UHFFFAOYSA-N,2,1,0.455,57,798,433.393,4.85,5,0.397,0.82,1.0,0.8860084983894181,0.8605818655335481,0.9602409019258447,0.9658522376807621,0.9181708758823932
EOS-2-24123,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)ccn2)cc1,JHZVIOLPQQVGHV-UHFFFAOYSA-N,2,1,0.595,57,798,433.393,4.85,5,0.397,0.75,1.0,0.9572339113151943,0.9388492906586252,0.9659978754026455,0.9682681104790625,0.9575872969638819
EOS-2-24124,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1,UIIYKVVXPRVGAA-UHFFFAOYSA-N,2,1,0.649,57,798,433.393,4.85,5,0.397,0.74,1.0,0.9811698992529642,0.9730741553012131,0.9560516756904941,0.9582362415187444,0.967132992940854
EOS-2-24125,Fc1cccc(-c2ncccc2COc2cncc3nnc(-c4cccc(F)c4F)n23)c1,FHXUZQOBVJPDAN-UHFFFAOYSA-N,2,1,0.512,57,709,433.393,4.85,5,0.397,0.81,1.0,0.889803646083202,0.9190511274073059,0.9448804057295593,0.9485384826262765,0.9255684154615859
EOS-2-24126,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(F)nc5)c4)n23)cc1,TVPBCLNHUHHVKU-UHFFFAOYSA-N,2,1,0.699,57,798,433.393,4.85,5,0.371,0.76,1.0,0.985222054691248,0.97477897333973,0.9729199506545131,0.9721060927969296,0.9762567678706051
EOS-2-24127,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cc1,ZTKVIAHLFBPPIU-UHFFFAOYSA-N,2,1,0.506,57,560,433.393,4.85,5,0.397,0.85,1.0,0.8568295524638476,0.8481341237749298,0.9629223493934618,0.9682766774038791,0.9090406757590296
EOS-2-24128,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)nc1,QFDSFNSBYMPRIL-UHFFFAOYSA-N,2,1,0.684,57,11,433.393,4.85,5,0.397,0.81,1.0,0.9625711054759784,0.9373672126653416,0.9660064423274621,0.9631279555890617,0.9572681790144609
EOS-2-24129,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccccc5)c(F)cn4)n23)cc1F,XQVIOFICFRBYPI-UHFFFAOYSA-N,2,1,0.593,57,80,433.393,4.85,5,0.397,0.7,1.0,0.9332979233774245,0.9518281817558769,0.9571739428414776,0.9588102254814612,0.95027756836406
EOS-2-24130,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)nc2)c1,HDHRIOMADNGQSZ-UHFFFAOYSA-N,2,1,0.608,57,461,433.393,4.85,5,0.397,0.76,1.0,0.8999554519909533,0.9416078404495922,0.9554177232540607,0.9601466657528613,0.9392819203618669
EOS-2-24131,FC(F)(F)c1ccc(-c2nnc3cncc(Oc4cccc(-c5ccccc5)n4)n23)cc1,PLOADJZSLNDKPX-UHFFFAOYSA-N,2,1,0.5,79,528,433.393,5.664,5,0.366,0.81,1.0,0.9691162360359126,0.9246281954629566,0.9862158179699815,0.9688078267425125,0.9621920190528408
EOS-2-24132,Fc1cncc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)c1,PLSHTQQRRJMLHF-UHFFFAOYSA-N,2,1,0.575,57,80,433.393,4.85,5,0.397,0.73,1.0,0.9333064903022411,0.90022102666027,0.9696902199986293,0.9698187238708793,0.9432591152080049
EOS-2-24133,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,VODZATCETQPOCL-UHFFFAOYSA-N,2,1,0.627,57,80,433.393,4.85,5,0.397,0.72,1.0,0.9826348433966143,0.9598553903090946,0.9717548488794462,0.9712579672400795,0.9713757624563086
EOS-2-24134,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)c1,SOAWSTIZUYPSRT-UHFFFAOYSA-N,2,1,0.507,96,558,433.393,5.261,5,0.378,0.79,1.0,0.6634397916523884,0.8934274552806525,0.9811356315536974,0.9801761359742307,0.8795447536152422
EOS-2-24135,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cc2)cn1,WRDICXOTSPQASV-UHFFFAOYSA-N,2,1,0.64,57,962,433.393,4.85,5,0.371,0.77,1.0,0.9811784661777808,0.9725430059625797,0.9746162017682133,0.9715663765334795,0.9749760126105134
EOS-2-24136,Fc1ccc(-c2ncc(F)cc2COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,AUCFKNCIWISFJW-UHFFFAOYSA-N,2,1,0.671,57,798,433.393,4.85,5,0.397,0.74,1.0,0.9894027140017819,0.9725515728873964,0.9472191762045097,0.9551350147351106,0.9660771194571997
EOS-2-24137,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cc1,JDVQGCWHGCVFTP-UHFFFAOYSA-N,2,1,0.512,57,560,433.393,4.85,5,0.397,0.82,0.999,0.8860170653142349,0.8605904324583648,0.9641902542663285,0.9673343156740456,0.9195330169282435
EOS-2-24138,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)nc1,NKCXRSQGDUFMOQ-UHFFFAOYSA-N,2,1,0.518,57,709,433.393,4.85,5,0.397,0.74,1.0,0.9209015831677061,0.8981221300801864,0.9565057227057775,0.9570711397436776,0.9331501439243368
EOS-2-24139,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cc1,NVCJMNLXGSGDSW-UHFFFAOYSA-N,2,1,0.562,57,137,433.393,4.85,5,0.397,0.71,1.0,0.89996401891577,0.9132941539305051,0.9714378726612295,0.9745476663696799,0.9398109279692961
EOS-2-24140,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)cc1,RUACTUVOLYHJOP-UHFFFAOYSA-N,2,1,0.5,57,560,433.393,4.85,5,0.397,0.78,1.0,0.8681036255225825,0.8375882393256117,0.9576879583304777,0.9643273250633952,0.9069267870605168
EOS-2-24141,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cc2)nc1,QWYMGLDNRZNWBM-UHFFFAOYSA-N,2,1,0.653,57,951,433.393,4.85,5,0.397,0.83,1.0,0.984913645397848,0.9737423754369131,0.9675484887944623,0.9652782537180453,0.9728706908368172
EOS-2-24142,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)c1,CUQANLUIXMQENM-UHFFFAOYSA-N,2,1,0.536,57,962,433.393,4.85,5,0.371,0.75,1.0,0.9032708518950038,0.9026026317593037,0.9700757316153793,0.9693646768555959,0.9363284730313206
EOS-2-24143,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)nc1,FCKMTRNTIHJJGJ-UHFFFAOYSA-N,2,1,0.529,57,962,433.393,4.85,5,0.397,0.77,1.0,0.9355767253786581,0.9094219039133713,0.9629309163182784,0.9607120827907615,0.9421604071002673
EOS-2-24144,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cc2)cc1F,JFWVYJJRIUSSSU-UHFFFAOYSA-N,2,1,0.605,57,80,433.393,4.85,5,0.397,0.76,1.0,0.9846309368788979,0.9607120827907615,0.9749760126105134,0.9736138715646632,0.973483225961209
EOS-2-24145,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cc1,BZLNFFASZJCXHH-UHFFFAOYSA-N,2,1,0.746,57,13,433.393,4.85,5,0.397,0.8,1.0,0.9606435473922281,0.9664604893427455,0.9679939688849291,0.9682852443286958,0.9658458124871496
EOS-2-24146,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)c1,BJNWGSRHRLKQRT-UHFFFAOYSA-N,2,1,0.671,57,13,433.393,4.85,5,0.397,0.81,1.0,0.9532502912754438,0.9577479268041944,0.9660150092522788,0.9663062846960455,0.9608298780069906
EOS-2-24147,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cc1,LVLBCHSCXRTOJP-UHFFFAOYSA-N,2,1,0.746,57,13,433.393,4.85,5,0.397,0.76,1.0,0.9423959975327256,0.9466366253169762,0.9742221232266466,0.9757556027688301,0.9597525872112946
EOS-2-24148,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1,CPCWIWVEHCDION-UHFFFAOYSA-N,2,1,0.562,57,798,433.393,4.85,5,0.397,0.76,1.0,0.9469107669111095,0.9530446850798437,0.9466708930162429,0.9530703858542937,0.9499241827153725
EOS-2-24149,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)cc4)n23)c(F)c1,FCAMGWIQRJXALN-UHFFFAOYSA-N,2,1,0.577,57,326,433.393,4.85,5,0.371,0.81,1.0,0.954946542389144,0.9607206497155781,0.9693304091563293,0.9678140634637791,0.9632029161812077
EOS-2-24150,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)cc1F,VCAZLQOMKSFKJU-UHFFFAOYSA-N,2,1,0.667,57,13,433.393,4.85,5,0.397,0.81,1.0,0.9613203344527449,0.9587673908573778,0.9651240490713453,0.9658608046055788,0.9627681447467618
EOS-2-24151,Fc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccc(F)c(F)c4)n23)cc1,NTYXQBGYLNVXON-UHFFFAOYSA-N,2,1,0.671,57,798,433.393,4.85,5,0.397,0.78,1.0,0.9849222123226646,0.9763381536563636,0.9571825097662943,0.9582448084435611,0.9691719210472208
EOS-2-24152,COc1cncc(COc2cncc3nnc(-c4ccnc(-c5nnc(OC)o5)c4)n23)n1,ANUHAFQTCQVCJQ-UHFFFAOYSA-N,2,1,0.433,7,99,433.388,1.622,5,0.367,0.68,1.0,0.32562024535672673,0.16181207593722158,0.036520800493454866,0.010014735110684668,0.13349196422452195
EOS-2-24153,CC(C#N)n1nc(-c2nnnn2C)cc1-c1cncc2nnc(-c3cccc(F)c3F)n12,CZMVJCFGMVIHFQ-UHFFFAOYSA-N,2,1,0.295,22,542,433.386,2.208,5,0.422,0.57,0.762,0.19974641902542664,0.3069614831060243,0.23209512713316427,0.3104567884312247,0.26231495442395997
EOS-2-24154,Cc1ncnc(COc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)c1F,OOFIKJIFXQUNGE-UHFFFAOYSA-N,2,1,0.424,7,434,433.382,2.599,5,0.386,0.59,0.998,0.6906483448701254,0.6536049619628538,0.37160749777259955,0.3104653553560414,0.506581539990405
EOS-2-24155,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)nn2)c1F,IMRCUIOVNIXBCL-UHFFFAOYSA-N,2,1,0.402,65,658,433.382,2.333,5,0.398,0.57,1.0,0.6509492152696867,0.5664964704269755,0.3451014323898293,0.3741690082927832,0.4841790315948187
EOS-2-24156,FC(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)cn1,QAQKLNLCBZHSMS-UHFFFAOYSA-N,2,1,0.473,27,69,433.382,2.95,5,0.398,0.63,1.0,0.5908779384552121,0.5431430333767391,0.5454047015283394,0.4469621684600096,0.531596960455075
EOS-2-24157,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)nc4)n23)cn1,RDZHLJYXLUEKBE-UHFFFAOYSA-N,2,1,0.471,7,535,433.382,2.95,5,0.398,0.61,0.99,0.8055822082105407,0.6923788636830923,0.5006510862860668,0.3961346035227195,0.5986866904256047
EOS-2-24158,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)c[nH]1,GSZITHBUTCCHQH-UHFFFAOYSA-N,2,1,0.43,55,564,433.382,2.308,5,0.435,0.58,1.0,0.690656911794942,0.4928980193269824,0.612800699061065,0.5364265643204715,0.5831955486258653
EOS-2-24159,N=c1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(F)ccc5F)n34)cn2)c[nH]1,BRLUNQJQVSUIBG-UHFFFAOYSA-N,2,1,0.398,55,390,433.382,2.308,5,0.407,0.71,0.992,0.5596343636488246,0.6007556027688301,0.5185045576040025,0.44989205674731,0.5321966451922419
EOS-2-24160,FC(F)c1ccc(-c2nnc3cncc(OCc4ncnc(-c5cccnn5)n4)n23)cc1,LTXGVWPCBICKGA-UHFFFAOYSA-N,2,1,0.462,27,839,433.382,2.95,5,0.398,0.71,1.0,0.7632016311424851,0.667860324857789,0.45578610102117745,0.4309934206017408,0.5794603694057981
EOS-2-24161,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5cncnc5F)ncn4)n23)n1,XQBWEWGUMXCLRU-UHFFFAOYSA-N,2,1,0.41,31,194,433.382,2.333,5,0.294,0.6,0.403,0.644935234048386,0.520295044890686,0.34510999931464603,0.3417174970872456,0.46301444383524093
EOS-2-24162,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnn5)n4)n23)cc1,IZQSLBNOJFRDJD-UHFFFAOYSA-N,2,1,0.489,27,51,433.382,2.95,5,0.398,0.73,1.0,0.7333801658556645,0.6198341443355493,0.5487629360564732,0.4991176067438832,0.6002737132478926
EOS-2-24163,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)cnn2)cn1,FSSZYFYPCXPCGM-UHFFFAOYSA-N,2,1,0.449,53,482,433.382,2.333,5,0.372,0.47,0.994,0.6361798368857515,0.687589952710575,0.3566325131930642,0.38054280035638405,0.5152362757864437
EOS-2-24164,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)nc1,CKDKJHGBZYYYMY-UHFFFAOYSA-N,2,1,0.43,7,435,433.382,2.95,5,0.398,0.68,1.0,0.5081385785758344,0.4443749571653759,0.5975687067370297,0.5195411555068192,0.5174058494962648
EOS-2-24165,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncn4)n23)cn1,PACXZOQMMQMFCJ-UHFFFAOYSA-N,2,1,0.473,7,354,433.382,2.95,5,0.398,0.62,1.0,0.5819512027962442,0.615250839558632,0.6247943938043999,0.4930008224247824,0.5787493146460146
EOS-2-24166,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cn1,WVYLYDAKFAHVFS-UHFFFAOYSA-N,2,1,0.467,51,855,433.382,2.95,5,0.398,0.66,1.0,0.6392039613460352,0.6431875813857858,0.5783359605236105,0.46562949763552874,0.58158925022274
EOS-2-24167,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)cn1,CMNSVNKQPPIPIC-UHFFFAOYSA-N,2,1,0.494,7,535,433.382,2.95,5,0.398,0.61,1.0,0.6165872798300323,0.6103077239394147,0.5251182235624701,0.41822870262490575,0.5425604824892056
EOS-2-24168,FC(F)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccccn5)n4)n23)cn1,GOKSBZHVPQYZNL-UHFFFAOYSA-N,2,1,0.5,27,69,433.382,2.95,5,0.398,0.61,0.999,0.5518555959152902,0.5665050373517923,0.39401857309300253,0.34172606401206224,0.4635263175930368
EOS-2-24169,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nn4)n23)cn1,ZOZKALSJAUGBIT-UHFFFAOYSA-N,2,1,0.472,27,69,433.382,2.95,5,0.398,0.64,1.0,0.585026728805428,0.5867572476183949,0.5041549585360839,0.41200911520800493,0.5219870125419779
EOS-2-24170,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cc2F)n[nH]1,VHEZSYXLJJEGQW-UHFFFAOYSA-N,2,1,0.489,97,89,433.378,2.794,5,0.454,0.74,1.0,0.8185525323829758,0.5525238160509903,0.762918922623535,0.7475841272016996,0.7203948495648002
EOS-2-24171,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cccc(F)c5F)nn4)n23)cn1,QCYJPDFUYBMPGF-UHFFFAOYSA-N,2,1,0.394,54,691,433.378,3.722,5,0.413,0.79,1.0,0.6847457336714413,0.6431961483106025,0.7006202453567267,0.6327787677335344,0.6653352237680763
EOS-2-24172,COc1cc(-c2nnc3cncc(Oc4cc(F)ccc4F)n23)ccc1-c1cnncn1,MWVWVCUWCAYNBB-UHFFFAOYSA-N,2,1,0.494,13,209,433.378,3.722,5,0.413,0.69,1.0,0.8313343842094442,0.7530326913851004,0.8363888698512781,0.7657631416626688,0.7966297717771229
EOS-2-24173,Fc1cnc(COc2cncc3nnc(-c4ccc(Oc5cncnc5)cc4)n23)cc1F,VQFLYTMMVOFDHR-UHFFFAOYSA-N,2,1,0.534,73,469,433.378,3.626,5,0.4,0.67,1.0,0.8785809745733671,0.8155541086971421,0.8130182989514084,0.7475926941265163,0.8136865190871085
EOS-2-24174,Cn1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)ccc1=O,FYFLNOVCFNIAQJ-UHFFFAOYSA-N,2,1,0.461,13,251,433.378,3.018,5,0.43,0.7,0.972,0.4906449181001988,0.5156346377904187,0.5975772736618463,0.5941419368103625,0.5494996915907066
EOS-2-24175,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccc5F)n34)cc2F)n[nH]1,WNPBDXDLBHKJRC-UHFFFAOYSA-N,2,1,0.511,34,71,433.378,2.794,5,0.454,0.68,1.0,0.6136402576930985,0.5249297512165033,0.6871444726201082,0.6852340483859913,0.6277371324789254
EOS-2-24176,Oc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)ccc1-c1ccnnc1,AATLNHFPSZJXSZ-UHFFFAOYSA-N,2,1,0.5,4,202,433.378,3.206,5,0.421,0.54,1.0,0.6695480090466726,0.6629943115619217,0.789921869645672,0.7288739634020972,0.712834538414091
EOS-2-24177,COc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nc2)cn1,PWIAGVHKMSZRML-UHFFFAOYSA-N,2,1,0.422,13,110,433.378,3.722,5,0.413,0.8,1.0,0.6906654787197588,0.6198427112603659,0.6980501679117264,0.6153707765060654,0.6559822835994791
EOS-2-24178,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1cnncn1,HLKQAXASBJAJBK-UHFFFAOYSA-N,2,1,0.602,13,209,433.378,3.722,5,0.413,0.71,1.0,0.9079141251456377,0.7573675553423344,0.8509869097388801,0.7802412446028374,0.8241274587074223
EOS-2-24179,Oc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1ccncn1,YKYZLIJIMADWCE-UHFFFAOYSA-N,2,1,0.457,16,772,433.378,3.206,5,0.45,0.56,1.0,0.9047443629634706,0.6875985196353916,0.8130268658762251,0.7501370707970667,0.7888767048180385
EOS-2-24180,OCc1ccc(-c2nnc3cncc(Oc4cnc(-c5ccc(F)nn5)c(F)c4)n23)cc1,WVRBOORFGGLKJG-UHFFFAOYSA-N,2,1,0.441,13,374,433.378,3.206,5,0.45,0.71,0.995,0.8968113905832362,0.8155626756219587,0.7315811116441642,0.6991553012130766,0.7857776197656089
EOS-2-24181,COc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)cn2)cn1,FXJNKWKNXJXNMD-UHFFFAOYSA-N,2,1,0.6,13,995,433.378,3.722,5,0.413,0.78,1.0,0.8842865465012679,0.734887944623398,0.7238366116098965,0.632787334658351,0.7439496093482283
EOS-2-24182,Fc1cnc(COc2cncc3nnc(-c4ccc(Oc5ncccn5)cc4)n23)cc1F,IXNFKRISOQZPKV-UHFFFAOYSA-N,2,1,0.558,97,469,433.378,3.626,5,0.4,0.7,1.0,0.8568381193886643,0.7702093756425193,0.7214293057364128,0.6239377013227332,0.7431036255225825
EOS-2-24183,Cc1nnc(-c2cnc(Oc3cncc4nnc(-c5ccc6c(c5)OCO6)n34)c(F)c2)o1,DSFGFBFESZAAQT-UHFFFAOYSA-N,2,1,0.505,72,374,433.359,3.205,6,0.417,0.73,1.0,0.8185610993077925,0.6776951545473237,0.3716160646974162,0.2709032965526695,0.5346939037763005
EOS-2-24184,COc1nc(OC)nc(-c2ccc(-c3nnc4cncc(OCC(F)F)n34)cc2F)n1,YLXWENXAHYLWLW-UHFFFAOYSA-N,2,1,0.531,68,12,433.35,2.444,4,0.434,0.73,1.0,0.8842951134260846,0.8880988280446851,0.4376327873346583,0.282828455897471,0.6232137961757248
EOS-2-24185,N#Cc1ncc(-c2nnc3cncc(OCc4cc(F)c(-c5conn5)cc4F)n23)cn1,OJLOCYIYCYFDPN-UHFFFAOYSA-N,2,1,0.461,51,875,433.338,2.36,5,0.405,0.71,1.0,0.5908865053800287,0.5068107052292509,0.6542817490233706,0.6181807278459325,0.5925399218696457
EOS-2-24186,Clc1ccc(-c2nnc3cncc(-c4ccc(Cl)cc4Oc4ccccc4)n23)cc1,QVPLUHKDJIUPMD-UHFFFAOYSA-N,2,1,0.429,83,480,433.298,6.557,5,0.322,0.88,1.0,0.5208347611541361,0.7743300664793366,0.9582619422931944,0.9795678843122473,0.8082486635597286
EOS-2-24187,Clc1ccc(-c2cccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)cc1,MUENPICCOIOJHE-UHFFFAOYSA-N,2,1,0.667,83,163,433.298,6.557,5,0.322,0.84,1.0,0.7775255294359537,0.9133027208553218,0.9651326159961621,0.9843996299088479,0.9100901240490714
EOS-2-24188,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(Br)cc4)n23)cn1,GRVQUMPXOJQMQR-UHFFFAOYSA-N,2,1,0.443,22,844,433.273,3.411,5,0.434,0.8,1.0,0.23000479747789734,0.35595572613254745,0.32305873483654307,0.39614317044753616,0.326290607223631
EOS-2-24189,Cn1nc(-c2ncccn2)cc1-c1cncc2nnc(-c3cccc(Br)c3)n12,SNJLOAQAJRUDRO-UHFFFAOYSA-N,2,1,0.458,22,844,433.273,3.411,5,0.434,0.78,1.0,0.05196696593790693,0.17417414844767323,0.22136077033787951,0.2915067507367555,0.1847521588650538
EOS-2-24190,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1Cl,VMIZKLTYXQRBMD-UHFFFAOYSA-N,2,1,0.789,23,86,433.27,4.867,4,0.434,0.79,1.0,0.9954680967719828,0.9913474059351655,0.9633506956342951,0.9612432321293949,0.9778523576177096
EOS-2-24191,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)c(Br)c4)n23)c1,CMVYQXLERFLERY-UHFFFAOYSA-N,2,1,0.391,61,316,466.73,4.67,5,0.386,0.76,1.0,0.2921835377972723,0.45304468507984375,0.7132564594613118,0.7984802275375231,0.5642412274689877
EOS-2-24192,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1Cl,QXOKLWXWYNUPFG-UHFFFAOYSA-N,2,1,0.789,23,86,433.27,4.867,4,0.434,0.83,1.0,0.9952967582756493,0.9915615790555822,0.9633592625591118,0.9612517990542115,0.9778673497361388
EOS-2-24193,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(Cl)ccc5Br)n34)cc2)n[nH]1,YEBFWHCIISFMSM-UHFFFAOYSA-N,2,1,0.387,45,46,466.73,4.968,5,0.406,0.78,1.0,0.29762353505585637,0.439937290110342,0.6980587348365431,0.7681104790624358,0.5509325097662943
EOS-2-24194,Brc1ccc(-c2nnc3cncc(OCc4cnc5ccccc5n4)n23)cc1,RIFPWZXRXGMNMT-UHFFFAOYSA-N,2,1,0.584,1,32,433.269,4.076,5,0.425,0.79,1.0,0.8265454732369268,0.8634003837982318,0.5185131245288191,0.5785587005688438,0.6967544205332055
EOS-2-24195,N#Cc1cc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)ccc1Cl,JAHHQAUYESANAL-UHFFFAOYSA-N,2,1,0.354,22,331,433.262,4.217,5,0.423,0.67,0.999,0.09386779521622918,0.4130457131108217,0.8275906380645603,0.9089678568980879,0.5608680008224247
EOS-2-24196,Fc1ccc(-c2nnc3cncc(-c4cc(-c5nc(Cl)c(Cl)s5)on4)n23)cc1,FCZFMBOAPDWGBM-UHFFFAOYSA-N,2,1,0.456,45,140,433.255,5.016,5,0.398,0.63,0.99,0.3357292166403948,0.6054502775683641,0.630362894935234,0.8048882873003906,0.5941076691110959
EOS-2-24197,Cc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)c(Cl)c5)cc4)n23)ccc1Cl,KGTBKQIIAMKXEY-UHFFFAOYSA-N,2,1,0.351,96,558,466.759,6.789,5,0.275,0.76,1.0,0.3541909396203139,0.552532382975807,0.9777516962511137,0.990507847303132,0.7187457165375917
EOS-2-24198,N#Cc1nc(-c2nnc3cncc(OC(F)F)n23)ccc1-c1c(Cl)cccc1Cl,NSIVYNLOOCMNGE-UHFFFAOYSA-N,2,1,0.4,23,255,433.205,4.633,4,0.466,0.64,0.974,0.8725926941265163,0.9072544719347543,0.9714464395860462,0.9820180248098143,0.9333279076142827
EOS-2-24199,O=[N+]([O-])c1ccc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)c(F)c4)n23)c(Cl)c1,RNIXNYTZDWLXON-UHFFFAOYSA-N,2,1,0.489,43,521,466.82,3.856,5,0.294,0.62,1.0,0.8764906449181002,0.6198512781851826,0.7238451785347132,0.6027859639503804,0.7057432663970941
EOS-2-24200,Fc1cc(-c2nnc3cncc(OC4COc5ccc(Cl)cc5O4)n23)ccc1-c1nn[nH]n1,PAGCXGRAJVHBGN-UHFFFAOYSA-N,2,1,0.427,47,6,466.82,2.94,6,0.425,0.56,1.0,0.8133781097937085,0.880131587965184,0.7815519840997875,0.7681190459872524,0.8107951819614831
EOS-2-24201,COc1cc(C(F)(F)F)ccc1-c1nnc2cncc(OCCc3cc(F)ccc3Cl)n12,CZRNQOBKWAQZNC-UHFFFAOYSA-N,2,1,0.576,48,240,466.822,5.233,4,0.364,0.77,1.0,0.9696902199986293,0.9699900623672126,0.9963676238777328,0.992058460694949,0.9820265917346309
EOS-2-24202,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cnc(Cl)nc1,JFVVOCDIOOTRGG-UHFFFAOYSA-N,2,1,0.506,13,209,466.835,4.981,5,0.337,0.66,1.0,0.9180744979782057,0.9113151942978548,0.9332893564526078,0.9057124254677541,0.9170978685491056
EOS-2-24203,COc1cc(-c2nnc3cncc(-c4nccnc4Oc4ccc(F)c(F)c4)n23)ccc1Cl,STDGTHYMKDMRPL-UHFFFAOYSA-N,2,1,0.457,45,573,466.835,4.981,5,0.361,0.75,1.0,0.7775340963607703,0.8572664656294976,0.8983705708998698,0.887533411006785,0.8551761359742307
EOS-2-24204,COc1ncc(-c2cncc3nnc(-c4ccc(F)cc4F)n23)c(Oc2ccc(Cl)cc2)n1,JANRRRIICLRMTN-UHFFFAOYSA-N,2,1,0.433,45,533,466.835,4.981,5,0.361,0.78,1.0,0.6136488246179151,0.7164176547186621,0.839541498183812,0.8435422520731958,0.7532875573983963
EOS-2-24205,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2F)n[nH]1,XATYTWOSIYPTGY-UHFFFAOYSA-N,2,1,0.65,57,96,466.835,4.052,5,0.419,0.72,1.0,0.962579672400795,0.9209187170173394,0.932484065519841,0.9381982043725584,0.9385451648276334
EOS-2-24206,COc1ccc(-c2nc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccc2F)cn1,NBBWZVHVTYSSBD-UHFFFAOYSA-N,2,1,0.409,13,145,466.835,4.981,5,0.361,0.74,1.0,0.77445000342677,0.8193064217668425,0.8700654513055993,0.8525717908299637,0.8290984168322939
EOS-2-24207,Cn1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)ccc2F)cc1=O,IGBOKLONCZNBSR-UHFFFAOYSA-N,2,1,0.477,13,145,466.835,4.276,5,0.393,0.71,1.0,0.5908950723048455,0.7301847028990474,0.9029624426016037,0.9167980261805222,0.7852100609965047
EOS-2-24208,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2F)nc1,FXJHKOFDTCZWRI-UHFFFAOYSA-N,2,1,0.467,18,773,466.839,3.591,5,0.35,0.57,1.0,0.8879446233979851,0.8747344253306834,0.542037900075389,0.5848896580083613,0.7224016517031047
EOS-2-24209,Cc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)ncc2F)nn1,RWILUAJWFCKECZ-UHFFFAOYSA-N,2,1,0.484,73,391,466.839,3.857,5,0.384,0.74,0.993,0.8337245562332944,0.9228462751010897,0.5487715029812898,0.6123980535946817,0.729435096977589
EOS-2-24210,FC(F)c1cc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)ccc1Cl,FSEQIIXUWGGHNI-UHFFFAOYSA-N,2,1,0.506,51,969,466.839,4.208,5,0.366,0.73,1.0,0.8843036803509012,0.9373757795901583,0.8673069015146323,0.8377167431978617,0.8816757761633884
EOS-2-24211,FC(F)c1cccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)c1,LEQRKYRRJCHDNF-UHFFFAOYSA-N,2,1,0.385,44,488,466.839,4.208,5,0.366,0.62,0.991,0.6695565759714893,0.6432047152354191,0.7516705503392502,0.7552172572133506,0.7049122746898774
EOS-2-24212,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)n1,APGAMRWPLFPPHP-UHFFFAOYSA-N,2,1,0.411,73,756,466.839,3.857,5,0.384,0.66,1.0,0.7362158179699815,0.7025135357412103,0.5783445274484271,0.6267990542115003,0.6609682338427798
EOS-2-24213,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)c(F)cn5)n34)nn2)c1,VNXMAMKBJDVWPT-UHFFFAOYSA-N,2,1,0.417,54,411,466.839,3.591,5,0.374,0.65,0.895,0.7570591460489343,0.739711123295182,0.6365824823521349,0.7074652182852443,0.7102044924953739
EOS-2-24214,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ncn1,RUNHVVXCBBIDRY-UHFFFAOYSA-N,2,1,0.442,44,130,466.839,3.591,5,0.374,0.58,0.959,0.6877098896580084,0.702522102666027,0.5487800699061065,0.6558152285655541,0.648706822698924
EOS-2-24215,FC(F)c1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ccnnc1,KQZXTMWRYHKCCW-UHFFFAOYSA-N,2,1,0.385,46,565,466.839,4.208,5,0.343,0.67,1.0,0.7453995613734494,0.7348965115482147,0.814911589335892,0.772873689260503,0.7670203378795147
EOS-2-24216,Fc1cccc(F)c1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cnn1,DJUYSHINEWDOCD-UHFFFAOYSA-N,2,1,0.457,19,482,466.839,3.591,5,0.374,0.65,0.994,0.742443972311699,0.8801401548900006,0.6040367349736139,0.7019909533273936,0.7321529538756768
EOS-2-24217,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nn4)n23)cc1F,LKCDWLHTRBFACO-UHFFFAOYSA-N,2,1,0.423,54,411,466.839,3.591,5,0.35,0.65,0.991,0.7802583784524707,0.8193149886916592,0.642870605167569,0.6937838393530258,0.7340569529161811
EOS-2-24218,FC(F)c1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)cn1,JTRGGPCALDPGCU-UHFFFAOYSA-N,2,1,0.427,46,395,466.839,4.208,5,0.366,0.63,0.25,0.7485007881570831,0.6678688917826057,0.8221420738811597,0.782314440408471,0.7552065485573298
EOS-2-24219,Cc1ncc(-c2ncnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2F)cc1F,NSJDRKDIHLJCJX-UHFFFAOYSA-N,2,1,0.402,46,62,466.839,3.857,5,0.384,0.6,0.962,0.7688729353711192,0.6727606058529231,0.6275443766705503,0.6586080460557878,0.6819464909875951
EOS-2-24220,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2F)cn1,IITCSQMQXMDLKF-UHFFFAOYSA-N,2,1,0.471,51,716,466.839,3.857,5,0.36,0.66,1.0,0.9311561921732575,0.9072630388595709,0.6736515660338565,0.6702761976560894,0.7955867486806936
EOS-2-24221,FC(F)c1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)nc1,ZCZBLHPQBMTTIP-UHFFFAOYSA-N,2,1,0.483,55,420,466.839,4.208,5,0.366,0.68,1.0,0.852588924679597,0.7743386334041532,0.802815091494757,0.7823230073332876,0.8030164142279487
EOS-2-24222,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1Cl,OJNPXGFPMRHDQJ-UHFFFAOYSA-N,2,1,0.482,51,969,466.839,4.208,5,0.366,0.77,1.0,0.8568466863134809,0.8958775957782195,0.867315468439449,0.8337331231581112,0.8634432184223152
EOS-2-24223,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)c(F)c1,HMWPJOPGRVLOQK-UHFFFAOYSA-N,2,1,0.409,54,411,466.839,3.591,5,0.374,0.69,0.974,0.7660372832568021,0.7659858817079022,0.5654770063737921,0.6586166129806045,0.6890291960797752
EOS-2-24224,Fc1cc(-c2cncnc2)c(F)nc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,WHFHNNOFZYSUAE-UHFFFAOYSA-N,2,1,0.447,18,773,466.839,3.591,5,0.35,0.64,1.0,0.8480141868274964,0.8232900418065932,0.6708073469947228,0.6991638681378932,0.7603188609416763
EOS-2-24225,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)n4)n23)nc1Cl,MCVZXYRTTIRATC-UHFFFAOYSA-N,2,1,0.412,18,324,466.839,3.591,5,0.35,0.6,0.955,0.777542663285587,0.7785621273387705,0.5318004249194709,0.5968833527516962,0.6711971420738811
EOS-2-24226,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cn2)cn1,FZVVWKICJLVMAQ-UHFFFAOYSA-N,2,1,0.522,65,981,466.839,3.591,5,0.35,0.61,1.0,0.9079226920704544,0.9508344184771435,0.6764957850729902,0.682304160098691,0.8043892639298198
EOS-2-24227,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2F)cn1,FDGOULHCDBNRPZ-UHFFFAOYSA-N,2,1,0.432,18,773,466.839,3.591,5,0.276,0.62,1.0,0.8764992118429169,0.8634089507230485,0.6818758138578576,0.6964138852717429,0.7795494654238915
EOS-2-24228,Fc1cncc(CCOc2cncc3nnc(-c4nc(Cl)c(-c5cncnc5)cc4F)n23)c1,HHQZUDNASTZEMA-UHFFFAOYSA-N,2,1,0.417,65,435,466.839,3.591,5,0.35,0.57,1.0,0.8433880474264958,0.7952590638064561,0.6627458707422383,0.7103694057980947,0.7529405969433213
EOS-2-24229,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2F)nn1,FBWBESMJNKXFDR-UHFFFAOYSA-N,2,1,0.456,58,237,466.839,3.591,5,0.35,0.63,1.0,0.8933846206565691,0.8634175176478651,0.6160132958673155,0.65029812898362,0.7557783907888423
EOS-2-24230,Cc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(-c2cc(F)c(F)cn2)n1,PPAWJNGKVAKRNM-UHFFFAOYSA-N,2,1,0.418,51,196,466.839,3.857,5,0.384,0.59,0.966,0.757067712973751,0.7952676307312727,0.5487886368309232,0.5818483996984443,0.6707430950585977
EOS-2-24231,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc2F)nc1,JEQRFFFQTHVQMB-UHFFFAOYSA-N,2,1,0.448,18,814,466.839,3.591,5,0.35,0.63,0.999,0.8433966143513124,0.8307346994722774,0.4872267150983483,0.5626242204098417,0.6809955623329449
EOS-2-24232,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2F)cn1,ZUUAPRVRRCWPCD-UHFFFAOYSA-N,2,1,0.451,18,773,466.839,3.591,5,0.276,0.6,1.0,0.8615927626619149,0.8634260845726818,0.6843516551298746,0.685242615310808,0.7736532794188198
EOS-2-24233,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)cnc1Cl,FDPQZFJSPNHBGH-UHFFFAOYSA-N,2,1,0.427,18,773,466.839,3.591,5,0.35,0.61,1.0,0.8434051812761291,0.8481426906997465,0.7238537454595299,0.737235282023165,0.7881592248646425
EOS-2-24234,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5Cl)nc4)n23)cn1,VBDSKEWBUWNAOO-UHFFFAOYSA-N,2,1,0.462,27,69,466.839,4.208,5,0.343,0.71,0.849,0.9180830649030224,0.8908059762867521,0.7419213898978823,0.6937924062778426,0.8111507093413748
EOS-2-24235,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1F,IYWRDXXREGJNFM-UHFFFAOYSA-N,2,1,0.459,87,132,466.839,3.591,5,0.35,0.65,1.0,0.7744585703515866,0.819323555616476,0.6128092659858817,0.6586251799054211,0.7163041429648414
EOS-2-24236,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)cnn1,VPDWQVODAMLMAS-UHFFFAOYSA-N,2,1,0.479,2,35,466.839,3.591,5,0.35,0.54,1.0,0.7944366390240559,0.8541909396203139,0.769935234048386,0.7823315742581043,0.800223596737715
EOS-2-24237,Fc1cc(F)cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)c1,QRRVSGWXIFDKQT-UHFFFAOYSA-N,2,1,0.436,44,194,466.839,3.591,5,0.374,0.62,0.97,0.6634483585772051,0.6727691727777397,0.597585840586663,0.6791943663902406,0.6532494345829621
EOS-2-24238,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)nn1,HXQWZHZAWDFKAI-UHFFFAOYSA-N,2,1,0.474,87,35,466.839,3.591,5,0.35,0.59,1.0,0.7944452059488726,0.8410835446508121,0.7132650263861284,0.7288825303269139,0.7694190768281818
EOS-2-24239,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nc(-c2cncnc2)c1F,DFFQMKUKVXGPOU-UHFFFAOYSA-N,2,1,0.442,18,578,466.839,3.591,5,0.35,0.68,1.0,0.8638030292646152,0.7996367623877733,0.6898687547118086,0.7211637310670962,0.7686180693578233
EOS-2-24240,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nn2)c1,COHZEOGPFRXAMG-UHFFFAOYSA-N,2,1,0.426,54,411,466.839,3.591,5,0.35,0.62,0.713,0.8568552532382976,0.7996453293125899,0.662754437667055,0.7157580015077788,0.7587532554314304
EOS-2-24241,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5cccc(F)n5)ncn4)n23)c(Cl)c1,NIUIADKNBZACMB-UHFFFAOYSA-N,2,1,0.384,44,481,466.839,3.591,5,0.35,0.58,0.952,0.7089558632033446,0.6432132821602358,0.5387053663217052,0.6181892947707491,0.6272659516140087
EOS-2-24242,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)cn2)cn1,UQDSKDFSWAOYJY-UHFFFAOYSA-N,2,1,0.454,87,795,466.839,3.591,5,0.276,0.67,1.0,0.8525974916044137,0.9190596943321225,0.5420464670002056,0.5968919196765129,0.7276488931533137
EOS-2-24243,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)ncn2)cn1,XTNPTEUIBPXWTA-UHFFFAOYSA-N,2,1,0.404,46,488,466.839,3.857,5,0.36,0.63,0.856,0.797246590363923,0.730193269823864,0.7723768076211364,0.7552258241381674,0.7637606229867727
EOS-2-24244,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2F)ncn1,UDGFHZIFFOUIKJ-UHFFFAOYSA-N,2,1,0.484,20,279,466.839,3.591,5,0.35,0.66,1.0,0.9235230621616065,0.9283119731341237,0.657340141182921,0.6964224521965595,0.8013994071688026
EOS-2-24245,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)cc1F,XVGLSXOEFBHXCQ-UHFFFAOYSA-N,2,1,0.417,54,411,466.839,3.591,5,0.374,0.66,0.895,0.7632101980673017,0.7613169076828181,0.639855047632102,0.7045524638475773,0.7172336543074498
EOS-2-24246,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cc(-c4cncnc4F)ncn3)n12,WHZYINKWLIMFFS-UHFFFAOYSA-N,2,1,0.448,44,130,466.839,3.591,5,0.35,0.63,0.816,0.8313429511342608,0.8232986087314098,0.7367384003837982,0.7681276129120691,0.7898768932903846
EOS-2-24247,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)cn5)cn4)n23)cc1,PZEYRJLBUSHQIB-UHFFFAOYSA-N,2,1,0.494,27,343,466.839,4.208,5,0.366,0.76,1.0,0.8568638201631142,0.9002295935850867,0.8047683503529574,0.782340141182921,0.8360504763210198
EOS-2-24248,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1Cl,LTBQKVWMNJAGBT-UHFFFAOYSA-N,2,1,0.447,27,343,466.839,4.208,5,0.366,0.73,1.0,0.7717771228839696,0.8605989993831814,0.8673240353642656,0.8397128366801453,0.8348532485778904
EOS-2-24249,COc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1noc(=O)n1C,XQMBUWYVJOOMDR-UHFFFAOYSA-N,2,1,0.42,16,248,466.845,2.176,5,0.342,0.61,1.0,0.4659379069289288,0.4530532520046604,0.0882221917620451,0.07885854293742718,0.27151797340826533
EOS-2-24250,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])n23)n(C)n1,IQUMFXPYKQDRKZ-UHFFFAOYSA-N,2,1,0.376,36,292,466.849,3.157,5,0.272,0.57,0.994,0.4633849633335618,0.43101055445137415,0.04361421424165581,0.02423583030635323,0.24056139058323622
EOS-2-24251,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)c(F)c5)c4)n23)cc1F,DTLZQWVKZCZLPQ-UHFFFAOYSA-N,2,1,0.732,57,853,466.85,6.108,5,0.314,0.82,1.0,0.9797135220341306,0.9828918511411144,0.9926410115824823,0.9963162223288329,0.98789065177164
EOS-2-24252,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)cc1F,YLXAEWUKIGXVLE-UHFFFAOYSA-N,2,1,0.803,57,853,466.85,6.108,5,0.314,0.78,1.0,0.9954766636967994,0.9947227743129327,0.9932492632444657,0.9965989308477828,0.9950119080254952
EOS-2-24253,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cc1F,FYHVHEFHEYNPEV-UHFFFAOYSA-N,2,1,0.732,57,853,466.85,6.108,5,0.314,0.78,1.0,0.9793365773421973,0.9826262764717977,0.9926495785072991,0.9964447262010828,0.9877642896305942
EOS-2-24254,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4OC(F)F)n23)cc1,MWEUESSVKRZIEO-UHFFFAOYSA-N,2,1,0.404,83,472,466.85,6.519,5,0.296,0.78,1.0,0.669565142896306,0.9246367623877733,0.9928123500788157,0.9968987732163662,0.8959782571448154
EOS-2-24255,Fc1cc(F)cc(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)cc2)c1,GYEZJSFTMBUWQO-UHFFFAOYSA-N,2,1,0.587,57,671,466.85,6.108,5,0.314,0.83,1.0,0.9532588582002605,0.972560139812213,0.9882461791515318,0.9940374203275992,0.977025649372901
EOS-2-24256,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2)cc1F,BJNPJYJCNFDUQD-UHFFFAOYSA-N,2,1,0.803,57,853,466.85,6.108,5,0.314,0.76,1.0,0.9954852306216161,0.9944400657939826,0.9932578301692825,0.9966074977725995,0.9949476560893702
EOS-2-24257,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1F,AMLCSRUVFNMJKJ-UHFFFAOYSA-N,2,1,0.704,57,853,466.85,6.108,5,0.293,0.76,1.0,0.9931036255225825,0.9934377355904325,0.9922212322664656,0.9960163799602495,0.9936947433349325
EOS-2-24258,Fc1ccc(F)c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)c1,NIJDXFOOMDKAKD-UHFFFAOYSA-N,2,1,0.729,57,798,466.85,6.108,5,0.314,0.78,1.0,0.9946970735384826,0.9966160646974163,0.9916815160030156,0.9962134192310328,0.9948020183674868
EOS-2-24259,Fc1cccc(COc2cncc3nnc(-c4cc(Cl)cc(-c5ccc(F)c(F)c5)c4)n23)c1,JUFHAOHFNGCHPT-UHFFFAOYSA-N,2,1,0.667,57,853,466.85,6.108,5,0.314,0.75,1.0,0.9777945308751971,0.9834829689534644,0.9913816736344322,0.9961106161332328,0.9871924473990816
EOS-2-24260,FC(F)(F)Oc1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)c1,DVLBCVNYDXBXKF-UHFFFAOYSA-N,2,1,0.449,83,472,466.85,6.677,5,0.296,0.87,1.0,0.7454081282982661,0.9550664793365773,0.9968730724419163,0.9983208827359331,0.9239171407031732
EOS-2-24261,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2)cc1F,RKBTZCHWSGFQIX-UHFFFAOYSA-N,2,1,0.64,57,853,466.85,6.108,5,0.314,0.73,1.0,0.985479062435748,0.992623877732849,0.9925382084846823,0.9963247892536495,0.9917414844767323
EOS-2-24262,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cc1F,UPWIVLUORRKOEW-UHFFFAOYSA-N,2,1,0.732,57,853,466.85,6.108,5,0.314,0.8,1.0,0.9793451442670139,0.9829004180659311,0.9926581454321157,0.9963333561784662,0.9878092659858817
EOS-2-24263,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)cc1F,JZULQZSGNNNAEM-UHFFFAOYSA-N,2,1,0.577,57,853,466.85,6.108,5,0.314,0.78,1.0,0.9655523953121787,0.9783256802138305,0.9906277842505654,0.9956051675690494,0.9825277568364059
EOS-2-24264,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cc2)cc1F,BJBFFMJRKKIMDJ-UHFFFAOYSA-N,2,1,0.618,57,853,466.85,6.108,5,0.314,0.83,1.0,0.9909361935439654,0.9919128229730656,0.9926667123569324,0.9963419231032828,0.9929644129943116
EOS-2-24265,Fc1cc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1-c1ccc(Cl)cc1,OHRKOHHBYUEMMD-UHFFFAOYSA-N,2,1,0.613,57,23,466.85,6.108,5,0.314,0.84,1.0,0.9894112809265986,0.9895654855732986,0.9902337057089987,0.995767939140566,0.9912446028373655
EOS-2-24266,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cccc(F)c1F,BUHOGMNJTZWTTD-UHFFFAOYSA-N,2,1,0.732,57,798,466.85,6.108,5,0.314,0.84,1.0,0.9967360016448495,0.9965389623740663,0.9920156260708656,0.9961191830580495,0.9953524432869577
EOS-2-24267,OCc1cc(-c2nnc3cncc(-c4ccc(F)c(-c5cccc(F)c5)c4)n23)c(F)cc1Cl,COBYTJOBGNTWFR-UHFFFAOYSA-N,2,1,0.354,83,533,466.85,5.688,5,0.369,0.76,1.0,0.5338821876499212,0.8445531492015627,0.9929237201014324,0.9975412925776164,0.8422250873826331
EOS-2-24268,Fc1ccc(-c2ccc(F)c(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)c2)cc1F,CSFMCUHDVAULJO-UHFFFAOYSA-N,2,1,0.632,57,853,466.85,6.108,5,0.314,0.82,1.0,0.9705126447810294,0.9808614899595641,0.9911332328147489,0.9961277499828661,0.9846587793845522
EOS-2-24269,Cc1nc(Cl)cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c(F)c2)n1,QZYKQDVYWDFFTR-UHFFFAOYSA-N,2,1,0.366,96,558,466.854,5.954,5,0.306,0.75,1.0,0.49065348502501543,0.7164262216434789,0.97498457953533,0.9736224384894798,0.7889216811733262
EOS-2-24270,Cc1cc(-c2nnc3cncc(-c4cncc(-c5cccc(C(F)(F)F)c5)n4)n23)ccc1Cl,BLHVNVNGYHZHPR-UHFFFAOYSA-N,2,1,0.326,96,315,466.854,5.896,5,0.331,0.76,1.0,0.4565742581043109,0.6972705777534096,0.9912531697621821,0.9884432184223151,0.7833853060105544
EOS-2-24271,OCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)o1,UMBUCHMNWLILDZ-UHFFFAOYSA-N,2,1,0.718,91,781,466.86,3.748,5,0.386,0.7,1.0,0.9287660201494071,0.8908145432115687,0.6708159139195394,0.6761873757795902,0.7916459632650263
EOS-2-24272,COc1cc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)ccc1-c1nnco1,IDLKOPUDRFVTKA-UHFFFAOYSA-N,2,1,0.582,91,925,466.86,4.264,5,0.35,0.69,1.0,0.9110838873278048,0.8039287917209239,0.7581471455006511,0.704561030772394,0.7944302138304434
EOS-2-24273,COc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cocn1,SCXLPVVQUVTRKQ-UHFFFAOYSA-N,2,1,0.51,35,777,466.86,4.264,5,0.328,0.66,1.0,0.9478359947913098,0.8193321225412926,0.7538465492426838,0.670284764580906,0.7978248577890481
EOS-2-24274,OCc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)cn2)o1,CEUBXEBYNQNIEQ-UHFFFAOYSA-N,2,1,0.51,58,698,466.86,3.748,5,0.361,0.63,1.0,0.8547991912822973,0.7952761976560894,0.7315896785689808,0.6907425810431088,0.7681019121376191
EOS-2-24275,OCc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cc2)no1,ZLXJLLBGVHNACV-UHFFFAOYSA-N,2,1,0.578,91,70,466.86,3.748,5,0.386,0.72,1.0,0.8409464738537454,0.8115533548077583,0.6303714618600507,0.6558237954903707,0.7346737715029813
EOS-2-24276,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)ccc1-c1ncco1,HNFVFVKSOUUGHF-UHFFFAOYSA-N,2,1,0.5,49,703,466.86,4.264,5,0.35,0.63,0.999,0.7688815022959359,0.5867658145432115,0.5847611541361113,0.5364351312452882,0.6192109005551367
EOS-2-24277,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1ncco1,BTQJNFLPWOHNPL-UHFFFAOYSA-N,2,1,0.588,49,703,466.86,4.264,5,0.35,0.63,0.999,0.8502929888287301,0.6152594064834487,0.6040453018984305,0.5495767939140566,0.6547936227811664
EOS-2-24278,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cc2)o1,VAAMTAMYJKVTGF-UHFFFAOYSA-N,2,1,0.578,91,273,466.86,4.264,5,0.35,0.75,1.0,0.9404855732986087,0.9297340826536906,0.6487732163662532,0.6153793434308821,0.7835930539373586
EOS-2-24279,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)ccc1-c1ncco1,BNIGZNAWKWOTLA-UHFFFAOYSA-N,2,1,0.505,49,703,466.86,4.264,5,0.35,0.7,1.0,0.7717856898087863,0.6103162908642313,0.5783530943732438,0.5364436981701048,0.6242246933040916
EOS-2-24280,COc1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1ncon1,ZKIQCVDJCZFWPR-UHFFFAOYSA-N,2,1,0.571,88,313,466.86,4.264,5,0.35,0.68,1.0,0.92485093550819,0.7916438215338222,0.7238623123843465,0.6852511822356246,0.7814020629154959
EOS-2-24281,COc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)o1,WCXKOXZSUHUCHL-UHFFFAOYSA-N,2,1,0.567,91,70,466.86,4.264,5,0.35,0.76,1.0,0.8568723870879309,0.8481512576245631,0.627552943595367,0.6060756630799808,0.7346630628469605
EOS-2-24282,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1-c1ncco1,WIJIGRXKTPNVML-UHFFFAOYSA-N,2,1,0.473,49,703,466.86,4.264,5,0.35,0.69,0.998,0.7599976012610513,0.6289236515660338,0.5783616612980604,0.5395877595778219,0.6267176684257418
EOS-2-24283,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1-c1cocn1,XZUOBKORBUNVFX-UHFFFAOYSA-N,2,1,0.588,49,703,466.86,4.264,5,0.35,0.61,0.999,0.8638115961894318,0.6777037214721403,0.6600901240490713,0.6091683229387979,0.7026934411623603
EOS-2-24284,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1nnco1,OKILBYBDDBMYTO-UHFFFAOYSA-N,2,1,0.706,91,781,466.86,4.264,5,0.35,0.75,1.0,0.9518453156055102,0.8606075663079981,0.7899304365704887,0.7236824069631965,0.8315164313617984
EOS-2-24285,COCc1cc(F)cc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)c1,BHQUJOLYFCWKAN-UHFFFAOYSA-N,2,1,0.523,34,210,466.86,4.359,5,0.349,0.77,1.0,0.7181053389075458,0.7659944486327188,0.6736601329586731,0.6878640943047084,0.7114060037009116
EOS-2-24286,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1ncon1,AUKABWGVMNQPQK-UHFFFAOYSA-N,2,1,0.553,88,313,466.86,4.264,5,0.35,0.66,1.0,0.9166438215338222,0.827110890274827,0.7516791172640669,0.707473785210061,0.8007269035706943
EOS-2-24287,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1-c1ncon1,ZKWFMJDGUOAUAH-UHFFFAOYSA-N,2,1,0.711,91,313,466.86,4.264,5,0.35,0.7,1.0,0.9452659173463094,0.8078181755876911,0.772385374545953,0.7131536563635118,0.8096557809608663
EOS-2-24288,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1-c1cocn1,SZDMCYDXDUQTLX-UHFFFAOYSA-N,2,1,0.527,11,777,466.86,4.264,5,0.328,0.64,1.0,0.9365961894318415,0.8342300047974779,0.6927215406757591,0.6181978616955658,0.770436399150161
EOS-2-24289,OCc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)n1,SFPDKANKLSEBGV-UHFFFAOYSA-N,2,1,0.731,91,781,466.86,3.748,5,0.386,0.75,1.0,0.8765077787677336,0.7660030155575355,0.6573487081077376,0.6616236035912549,0.7403707765060654
EOS-2-24290,COc1cc(-c2nnc3cncc(OCc4cnnc(-c5cnn(C)c5F)c4)n23)ccc1Cl,SUGYYXJKOVGSDX-UHFFFAOYSA-N,2,1,0.478,36,659,466.864,3.362,5,0.375,0.69,1.0,0.6568775272428209,0.7349050784730313,0.6219673086148996,0.5495853608388733,0.6408338187924063
EOS-2-24291,COc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nn2C)cc1F,OWUFXKAXPCNGOW-UHFFFAOYSA-N,2,1,0.426,95,694,466.864,3.362,5,0.351,0.72,0.997,0.3908745116852855,0.36062470015763143,0.48013330135014737,0.40876225070248784,0.41009869097388807
EOS-2-24292,COc1nc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1ccnn1C,LRWJLJZAMZNCMT-UHFFFAOYSA-N,2,1,0.43,49,469,466.864,3.362,5,0.375,0.64,1.0,0.39950140497566994,0.42651291892262355,0.4661692138989788,0.3931961483106024,0.4213449215269687
EOS-2-24293,CCc1nc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)no1,YWGLTXRHRIDFNC-UHFFFAOYSA-N,2,1,0.484,65,131,466.864,3.608,5,0.354,0.62,1.0,0.5879480501679117,0.5814885888561442,0.27151154821465284,0.3194948941128093,0.44011077033787954
EOS-2-24294,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1ccn(C)n1,OSPLBEYGFPJTKG-UHFFFAOYSA-N,2,1,0.415,16,379,466.864,3.362,5,0.351,0.65,1.0,0.6193115619217325,0.5814971557809608,0.46981015694606265,0.3835240901925845,0.5135357412103352
EOS-2-24295,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)n4)n23)ccc1-c1ncn(C)n1,XFHMVOOGLMXZEN-UHFFFAOYSA-N,2,1,0.495,4,718,466.864,3.362,5,0.351,0.61,1.0,0.5290247412788706,0.6384843396614351,0.5041635254609006,0.415101775066822,0.521693595367007
EOS-2-24296,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1nccn1C,OIYYWBAUJADUHO-UHFFFAOYSA-N,2,1,0.43,51,379,466.864,3.362,5,0.351,0.68,1.0,0.687718456582825,0.5867743814680282,0.41538448358577207,0.3417346309368789,0.507902988143376
EOS-2-24297,CCOc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)n[nH]1,KTXXVJSYYPTKRP-UHFFFAOYSA-N,2,1,0.522,47,164,466.864,3.742,5,0.385,0.56,1.0,0.5518641628401069,0.6054588444931808,0.46269960934822835,0.45950414639161125,0.5198816907682818
EOS-2-24298,COc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)n[nH]1,QQDYZAIMBKWYNI-UHFFFAOYSA-N,2,1,0.489,47,639,466.864,3.394,5,0.363,0.54,1.0,0.80013364402714,0.7119285861147283,0.3866852854499349,0.38353265711740114,0.5705700431773011
EOS-2-24299,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ccc5F)n34)cn2)cn1,QYZHFYVTDZPSSG-UHFFFAOYSA-N,2,1,0.394,92,468,466.864,2.809,5,0.364,0.69,1.0,0.4681995750805291,0.43994585703515865,0.4340004112123912,0.4469707353848263,0.44727914467822627
EOS-2-24300,CCc1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1-c1nnco1,LOKOWCDHNILYQQ-UHFFFAOYSA-N,2,1,0.414,31,237,466.864,3.608,5,0.331,0.54,0.187,0.684754300596258,0.6536135288876704,0.20384140908779386,0.24689877321636625,0.44727700294702216
EOS-2-24301,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1cnn(C)c1,SUIVGPSEWGFEMJ-UHFFFAOYSA-N,2,1,0.424,16,379,466.864,3.362,5,0.351,0.62,1.0,0.605296072921664,0.6054674114179974,0.5387139332465218,0.44348399698444246,0.5482403536426564
EOS-2-24302,COCc1nc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)n(C)n1,KDUJQXKVGOLRLW-UHFFFAOYSA-N,2,1,0.458,36,706,466.864,3.713,5,0.373,0.77,1.0,0.5518727297649236,0.7743472003289699,0.2756836406003701,0.32885854293742717,0.48269052840792265
EOS-2-24303,COc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)nn4C)n23)ccc1Cl,LYSYTNBQQZZDNB-UHFFFAOYSA-N,2,1,0.452,73,67,466.864,3.362,5,0.375,0.57,1.0,0.5994705640463299,0.7255328627235967,0.4153930505105887,0.38680522239736825,0.5318004249194709
EOS-2-24304,COc1cc(-c2nnc3cncc(OCc4nc(-c5ccc(F)cn5)nn4C)n23)ccc1Cl,WKYWDPWIJLPSQV-UHFFFAOYSA-N,2,1,0.446,36,67,466.864,3.362,5,0.375,0.65,1.0,0.6303800287848674,0.7785706942635872,0.2901360427660887,0.33222534439037765,0.5078280275512302
EOS-2-24305,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1cnnn1C,JNFPEGVEGVJZDL-UHFFFAOYSA-N,2,1,0.462,36,638,466.864,3.362,5,0.375,0.65,1.0,0.4734939346172298,0.49290658625179906,0.5487972037557398,0.4899081625659653,0.5012764717976835
EOS-2-24306,COc1ccncc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n(C)n1,KSSLUHQNXSIXRY-UHFFFAOYSA-N,2,1,0.484,73,446,466.864,3.362,5,0.375,0.7,1.0,0.5081471455006511,0.7397196902199986,0.297529298882873,0.3354807758207114,0.47021922760605855
EOS-2-24307,COc1ncncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)nn1C,SYKMIYAEIFLNKZ-UHFFFAOYSA-N,2,1,0.54,95,998,466.864,3.362,5,0.375,0.66,1.0,0.4807072853128641,0.45306181892947706,0.5251267904872867,0.48417688986361457,0.48576819614831057
EOS-2-24308,COCn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)n1,LBPMODOUHNDCOM-UHFFFAOYSA-N,2,1,0.478,16,772,466.864,3.42,5,0.336,0.6,1.0,0.49808100884106643,0.6384929065862518,0.5318089918442875,0.5395963265026387,0.5519948084435611
EOS-2-24309,COc1nc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)n[nH]1,SDXBFSSXQKQWQQ-UHFFFAOYSA-N,2,1,0.547,84,752,466.864,3.394,5,0.388,0.59,1.0,0.6193201288465492,0.5480518812966897,0.49038791035569873,0.4808871907340141,0.534661777808238
EOS-2-24310,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1ncnn1C,HFIXLOICFGELMB-UHFFFAOYSA-N,2,1,0.467,36,718,466.864,3.362,5,0.375,0.67,1.0,0.5441282297306559,0.5431516003015557,0.47315125762456306,0.4217325748749229,0.49554091563292435
EOS-2-24311,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1nc(C)n[nH]1,IAUQWGRMOJGFCI-UHFFFAOYSA-N,2,1,0.54,49,294,466.864,3.66,5,0.403,0.57,0.996,0.6479679254334864,0.6241775752175999,0.480141868274964,0.43427455280652455,0.5466404804331437
EOS-2-24312,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)nc1F,ORTDXMYWEHUKBO-UHFFFAOYSA-N,2,1,0.375,31,602,466.868,2.669,5,0.333,0.57,0.931,0.46594647385374544,0.45744808443561097,0.07007744500034267,0.11478822561853197,0.27706505722705776
EOS-2-24313,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)ncn1,FCGLLIQRSAVWDY-UHFFFAOYSA-N,2,1,0.343,31,296,466.868,2.669,5,0.333,0.61,0.766,0.44459769721060927,0.32665684325954353,0.1053303406209307,0.13017442258926737,0.2516898259200877
EOS-2-24314,O=[N+]([O-])c1nsc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)n1,XZTXWRPFYJWXSQ-UHFFFAOYSA-N,2,1,0.547,4,850,466.87,3.845,5,0.27,0.75,1.0,0.565399904050442,0.5572356247001576,0.09282263038859571,0.08745973545336166,0.32572947364813926
EOS-2-24315,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1F,VALLCHKJWXPISP-UHFFFAOYSA-N,2,1,0.662,59,607,466.879,5.185,5,0.344,0.74,1.0,0.9248595024330066,0.8853831128778014,0.9360307723939415,0.9305136728120074,0.9191967651291892
EOS-2-24316,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1F,VSNSSFXMRZCDJK-UHFFFAOYSA-N,2,1,0.718,88,70,466.879,4.745,5,0.361,0.73,1.0,0.970521211705846,0.940091494757042,0.9354567884312247,0.9314731683914742,0.9443856658213967
EOS-2-24317,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccc2F)n1,HTQDGZPBAFQVBN-UHFFFAOYSA-N,2,1,0.727,88,781,466.879,4.745,5,0.361,0.7,1.0,0.9580563360975944,0.9614060037009116,0.922426495785073,0.9189911589335892,0.9402199986292921
EOS-2-24318,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1F,PIUCITLZMZBLNH-UHFFFAOYSA-N,2,1,0.565,88,70,466.879,4.745,5,0.361,0.76,1.0,0.9333150572270578,0.917217805496539,0.9275752175998904,0.930522239736824,0.9271575800150778
EOS-2-24319,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1F,XWLUFXPFNKFVOS-UHFFFAOYSA-N,2,1,0.718,88,70,466.879,4.745,5,0.361,0.74,1.0,0.9701014323898294,0.9416164073744089,0.9354653553560414,0.9321670893016243,0.944837571105476
EOS-2-24320,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ccc2F)n1,ZNRIRXORRRAJLM-UHFFFAOYSA-N,2,1,0.727,88,781,466.879,4.745,5,0.361,0.69,1.0,0.957242478240011,0.9614145706257282,0.9224350627098896,0.9189997258584058,0.9400229593585085
EOS-2-24321,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)c1,BKOJMSHTWVLJLR-UHFFFAOYSA-N,2,1,0.478,59,607,466.879,5.185,5,0.322,0.69,1.0,0.7392399424302653,0.7255414296484134,0.9194195051744226,0.9089764238229046,0.8232943252690015
EOS-2-24322,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)ccc1F,KHCNCLZDQDREOK-UHFFFAOYSA-N,2,1,0.602,88,70,466.879,4.745,5,0.361,0.76,1.0,0.9094733054622712,0.9072716057843876,0.9286289493523405,0.9293828387362073,0.9186891748338017
EOS-2-24323,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cc2F)n1,JSAQJZYZRHJIPI-UHFFFAOYSA-N,2,1,0.57,88,70,466.879,4.745,5,0.361,0.75,1.0,0.8915084641217189,0.9416249742992255,0.9119405798094716,0.9146477280515386,0.9149304365704887
EOS-2-24324,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1F,PWUACWNRVNRHDY-UHFFFAOYSA-N,2,1,0.662,59,607,466.879,5.185,5,0.344,0.76,1.0,0.9273353437050237,0.885391679802618,0.9360393393187582,0.9305308066616408,0.9198242923720101
EOS-2-24325,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)cn1,QKVOYWKUYAFRJR-UHFFFAOYSA-N,2,1,0.722,91,322,466.879,5.325,5,0.324,0.72,1.0,0.8055907751353574,0.9002381605099034,0.9374785826879584,0.9262901788773902,0.8923994243026523
EOS-2-24326,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)ccc1F,UHTQEKXDCXWEBA-UHFFFAOYSA-N,2,1,0.617,88,70,466.879,4.745,5,0.361,0.7,1.0,0.918091631827839,0.9072801727092044,0.9241570145980399,0.92518504557604,0.9186784661777807
EOS-2-24327,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)ccc2F)cn1,URTLQRUEBHFCPU-UHFFFAOYSA-N,2,1,0.541,34,623,466.879,5.185,5,0.344,0.66,1.0,0.647976492358303,0.7660115824823521,0.9259475018847234,0.9262987458022068,0.8165585806318963
EOS-2-24328,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1-c1ccc(Cl)c(F)c1,MOYOYTGDFLGVEL-UHFFFAOYSA-N,2,1,0.595,19,570,466.879,4.745,5,0.361,0.73,1.0,0.6303885957096841,0.6777122883969571,0.8714361592762662,0.8985076416969364,0.7695111712699609
EOS-2-24329,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5c(F)ccc(Cl)c5F)n34)c2)n1,KOSIOBDIWOMTMX-UHFFFAOYSA-N,2,1,0.563,88,70,466.879,4.745,5,0.338,0.64,1.0,0.8028750599684737,0.8801487218148174,0.8994842711260366,0.8929648413405524,0.8688682235624701
EOS-2-24330,Cn1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccc(F)c(F)c2)n1,PQUKGJCNCCHBMP-UHFFFAOYSA-N,2,1,0.679,88,70,466.879,4.745,5,0.361,0.74,1.0,0.9220752518675897,0.9670773079295456,0.8583715989308478,0.8902148584744021,0.9094347543005963
EOS-2-24331,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)c(Cl)c2)n1,NXIGMYZRYZKZGX-UHFFFAOYSA-N,2,1,0.605,88,803,466.879,4.745,5,0.361,0.75,1.0,0.805599342060174,0.905121307655404,0.8949181001987526,0.9010177506682201,0.8766641251456376
EOS-2-24332,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)ccc1F,WJSDAPHLUDSKPH-UHFFFAOYSA-N,2,1,0.517,59,607,466.879,5.185,5,0.344,0.71,1.0,0.8409550407785621,0.8410921115756288,0.930188129668974,0.927326776780207,0.884890514700843
EOS-2-24333,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)ccc1F,NAVXGNMXUSEXDI-UHFFFAOYSA-N,2,1,0.554,34,623,466.879,5.011,5,0.364,0.72,1.0,0.6539219381810705,0.8039373586457406,0.9250736755534233,0.9200363237612227,0.8257423240353643
EOS-2-24334,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1F,YJOYLWDTOUSNND-UHFFFAOYSA-N,2,1,0.65,59,96,466.879,5.185,5,0.344,0.76,1.0,0.9412994311561922,0.8934360222054691,0.935473922280858,0.9282006031115071,0.9246024946885065
EOS-2-24335,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cn1,KNOAJHFBCODSJY-UHFFFAOYSA-N,2,1,0.753,91,322,466.879,5.325,5,0.324,0.78,1.0,0.8107651977246247,0.9228548420259064,0.9415992735247756,0.9273353437050237,0.9006386642450825
EOS-2-24336,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cc2F)n1C,ZOBGWAGTLSTEAD-UHFFFAOYSA-N,2,1,0.518,59,332,466.879,5.011,5,0.364,0.69,1.0,0.8503015557535467,0.8411006785004455,0.9039990405044205,0.8985162086217532,0.8734793708450415
EOS-2-24337,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccc2F)cn1,MPIBASILZOKRPY-UHFFFAOYSA-N,2,1,0.541,34,623,466.879,5.185,5,0.344,0.67,1.0,0.6303971626345007,0.7743557672537866,0.9268213282160236,0.9263073127270235,0.8144703927078336
EOS-2-24338,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)ccc2F)cn1,GGCAMORYIAWGSI-UHFFFAOYSA-N,2,1,0.585,88,70,466.879,4.745,5,0.361,0.74,1.0,0.8659875950928655,0.9246453293125899,0.9348399698444246,0.9365704886573916,0.9155108457268178
EOS-2-24339,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccc2F)cn1,LDGBFIOOLANWMB-UHFFFAOYSA-N,2,1,0.697,59,623,466.879,5.185,5,0.344,0.63,1.0,0.7717942567336029,0.8375968062504283,0.9332979233774245,0.929391405661024,0.8680200980056199
EOS-2-24340,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1F,NHTOTIRVYCUUKH-UHFFFAOYSA-N,2,1,0.511,59,607,466.879,5.185,5,0.344,0.7,1.0,0.8765163456925502,0.837605373175245,0.9317473099856076,0.9263158796518401,0.8930462271263107
EOS-2-24341,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)cc1F,SWJUIKWFUYTIQP-UHFFFAOYSA-N,2,1,0.614,88,876,466.879,4.745,5,0.361,0.71,1.0,0.9375813857857583,0.9416335412240422,0.8961174696730861,0.8971197998766363,0.9181130491398808
EOS-2-24342,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1F,UTKIKNZPFMRYPE-UHFFFAOYSA-N,2,1,0.506,34,332,466.879,5.185,5,0.344,0.76,1.0,0.8238554588444932,0.8193406894661093,0.9203790007538893,0.9210472208895895,0.8711555924885204
EOS-2-24343,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)ccc1F,YSXQCBDMAUMPLK-UHFFFAOYSA-N,2,1,0.554,34,623,466.879,5.011,5,0.364,0.71,1.0,0.6509577821945035,0.8115619217325749,0.9259560688095402,0.9178517579329724,0.8265818826673976
EOS-2-24344,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)ccc1F,IDZPVPHDCMVONS-UHFFFAOYSA-N,2,1,0.517,34,607,466.879,5.185,5,0.344,0.73,1.0,0.8313515180590775,0.8342385717222945,0.9293999725858406,0.9293999725858406,0.8810975087382633
EOS-2-24345,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1F,VGKJFZNCZRBWGB-UHFFFAOYSA-N,2,1,0.571,88,70,466.879,4.745,5,0.361,0.72,1.0,0.930033925022274,0.907288739634021,0.9176632855870057,0.922297991912823,0.9193209855390309
EOS-2-24346,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2F)cn1,ISYQQHHELWUOCI-UHFFFAOYSA-N,2,1,0.733,88,781,466.879,4.745,5,0.361,0.71,1.0,0.9424045644575423,0.9416421081488588,0.939526077719142,0.9348399698444246,0.9396031800424919
EOS-2-24347,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cc2F)n1,UXJMCFHXFQSTPJ-UHFFFAOYSA-N,2,1,0.598,88,629,466.879,4.745,5,0.361,0.72,1.0,0.8843122472757179,0.9312589952710575,0.9128229730655884,0.9146562949763553,0.9107626276471797
EOS-2-24348,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c(Cl)c2)cn1,XDVBYNAATVWNIP-UHFFFAOYSA-N,2,1,0.511,61,121,466.879,5.597,5,0.326,0.78,1.0,0.4330751833321911,0.6536220958124872,0.9490010965663765,0.942464532931259,0.7445407271605784
EOS-2-24349,COc1ccccc1-c1cc(-c2nnc3cncc(-c4cnn(C)c4C(F)F)n23)ccc1Cl,MYMDCWSKDIXTCP-UHFFFAOYSA-N,2,1,0.395,96,697,466.879,5.458,5,0.344,0.72,0.988,0.25980056199026796,0.5340192584469878,0.9324926324446576,0.9067318895209375,0.6582610856007127
EOS-2-24350,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)c(F)c1,VPFLIUHJXMRZBQ-UHFFFAOYSA-N,2,1,0.545,88,70,466.879,4.745,5,0.361,0.74,1.0,0.9166523884586388,0.9190682612569392,0.9224436296347063,0.9231461174696731,0.9203275992049893
EOS-2-24351,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cc1-c1ccc(F)cc1,YCDCRBCEDGGZLC-UHFFFAOYSA-N,2,1,0.566,19,266,466.879,4.745,5,0.361,0.78,1.0,0.672529298882873,0.6825269001439244,0.8658333904461655,0.8985247755465698,0.7798535912548832
EOS-2-24352,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1ccc(F)cc1,ZVAKMMVKRMMAFT-UHFFFAOYSA-N,2,1,0.692,19,570,466.879,4.745,5,0.361,0.75,1.0,0.7392485093550819,0.7613254746076349,0.877912754437667,0.9010263175930368,0.8198782639983552
EOS-2-24353,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1-c1ccc(F)cc1Cl,ICEYPKIACXMHAP-UHFFFAOYSA-N,2,1,0.607,19,266,466.879,4.745,5,0.361,0.76,1.0,0.6361884038105682,0.6972791446782263,0.8554845452676307,0.8929734082653691,0.7704813755054486
EOS-2-24354,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)cc1F,ZNGFWZXISFMNKB-UHFFFAOYSA-N,2,1,0.59,88,70,466.879,4.745,5,0.361,0.73,1.0,0.9385580152148585,0.909430470838188,0.927583784524707,0.9251936125008567,0.9251914707696526
EOS-2-24355,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1F,CUGIJQFBATTWMJ-UHFFFAOYSA-N,2,1,0.563,88,70,466.879,4.745,5,0.361,0.76,1.0,0.9413079980810088,0.9246538962374066,0.9268298951408402,0.9282091700363237,0.9302502398738948
EOS-2-24356,Cn1ncc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)c1-c1ccc(Cl)cc1,JEQJWGFEYVWTES-UHFFFAOYSA-N,2,1,0.641,88,752,466.879,4.745,5,0.361,0.74,1.0,0.6817130422863409,0.8039459255705572,0.8629891714070317,0.8971283668014529,0.8114441265163457
EOS-2-24357,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)n(C(F)F)n1,QOLULWXAONWUEA-UHFFFAOYSA-N,2,1,0.641,43,138,466.879,5.591,5,0.326,0.75,1.0,0.8765249126173669,0.9264358165992735,0.9185285449934891,0.8971369337262696,0.9046565519840999
EOS-2-24358,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c(F)c2)n1,XDIFYBNXSKTBNA-UHFFFAOYSA-N,2,1,0.565,88,70,466.879,4.745,5,0.361,0.8,1.0,0.8409636077033787,0.9264443835240902,0.908188266739771,0.9113323281474882,0.896732146528682
EOS-2-24359,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2F)cn1,MIKRZAYMXWRHOG-UHFFFAOYSA-N,2,1,0.733,88,781,466.879,4.745,5,0.361,0.71,1.0,0.9413165650058255,0.9416506750736755,0.9395346446439586,0.9348485367692413,0.9393376053731752
EOS-2-24360,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1F,KXBZDVJGYYEVTN-UHFFFAOYSA-N,2,1,0.598,88,70,466.879,4.745,5,0.361,0.74,1.0,0.8638201631142485,0.9051298745802207,0.9194280720992393,0.9231546843944898,0.9028831985470496
EOS-2-24361,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1F,WSVISEOXXIHIDX-UHFFFAOYSA-N,2,1,0.747,88,781,466.879,4.745,5,0.361,0.73,1.0,0.9469193338359263,0.9283205400589405,0.9286375162771572,0.9242598176958399,0.9320343019669659
EOS-2-24362,Cn1ncc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1-c1ccc(Cl)c(F)c1,ZSVBEEQBWRJUKR-UHFFFAOYSA-N,2,1,0.675,88,70,466.879,4.745,5,0.361,0.78,1.0,0.6877270235076417,0.7660201494071688,0.8741604413679666,0.9010348845178535,0.8072356247001575
EOS-2-24363,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c(F)c2)cn1,DLJZEHHTYBJYEN-UHFFFAOYSA-N,2,1,0.688,88,781,466.879,4.745,5,0.361,0.79,1.0,0.9195051744225893,0.932946679459941,0.9366475909807416,0.9314817353162909,0.9301452950448906
EOS-2-24364,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cc2F)n1,HJOYRRARJYAYEP-UHFFFAOYSA-N,2,1,0.598,88,803,466.879,4.745,5,0.361,0.71,1.0,0.9015660338564869,0.9312675621958741,0.9006236721266534,0.9057209923925708,0.9097945651428964
EOS-2-24365,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5c(F)ccc(Cl)c5F)n34)c2)cn1,WXKKGHVOTVWBDI-UHFFFAOYSA-N,2,1,0.576,88,70,466.879,4.745,5,0.338,0.7,1.0,0.6906740456445755,0.8193492563909259,0.922452196559523,0.9157357275032554,0.8370528065245699
EOS-2-24366,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1F,BZRDRJRSKYRJSP-UHFFFAOYSA-N,2,1,0.705,88,781,466.879,4.745,5,0.361,0.74,1.0,0.9759355081899801,0.9359536700705915,0.9348485367692413,0.9294085395106573,0.9440365636351176
EOS-2-24367,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)cc1Cl,PGXYBMGOWMFPSH-UHFFFAOYSA-N,2,1,0.563,88,70,466.879,4.745,5,0.361,0.71,1.0,0.9181001987526557,0.9113237612226716,0.9268384620656569,0.9282177369611404,0.921120039750531
EOS-2-24368,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)c(F)c2)cn1,WTTOATBFPFZHGO-UHFFFAOYSA-N,2,1,0.642,88,70,466.879,4.745,5,0.361,0.79,1.0,0.7831368651908711,0.90024672743472,0.9301966965937907,0.9294171064354739,0.8857493489137138
EOS-2-24369,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)cc1-c1ccc(Cl)cc1,BUMBHBVBFNNETC-UHFFFAOYSA-N,2,1,0.529,19,266,466.879,4.745,5,0.361,0.75,1.0,0.6634569255020218,0.7302018367486807,0.8643341786032486,0.8985333424713865,0.7891315708313343
EOS-2-24370,Cc1nc(-c2ccc(F)c(F)c2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C,GELFTDZTUCPVBE-UHFFFAOYSA-N,2,1,0.588,34,929,466.879,5.011,5,0.364,0.64,1.0,0.8860256322390515,0.9329552463847577,0.8008875334110068,0.8377253101226784,0.8643984305393736
EOS-2-24371,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1-c1ccc(F)cc1,ABFQCJJZVXDMBK-UHFFFAOYSA-N,2,1,0.692,19,570,466.879,4.745,5,0.361,0.78,1.0,0.7392570762798986,0.7613340415324515,0.8779213213624837,0.9010434514426702,0.8198889726543761
EOS-2-24372,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)cc1-c1ccc(F)cc1,HRDBZRJMOKHTDJ-UHFFFAOYSA-N,2,1,0.54,19,266,466.879,4.745,5,0.361,0.77,1.0,0.6664639161126722,0.692387430607909,0.8686947433349325,0.8958176273045028,0.780840929340004
EOS-2-24373,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccc2F)cn1,WAFASVADQWUHRX-UHFFFAOYSA-N,2,1,0.747,88,781,466.879,4.745,5,0.361,0.66,1.0,0.9395689123432253,0.9508429854019601,0.9416078404495922,0.9374014803646084,0.9423553046398465
EOS-2-24374,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c(F)c1,MPMFFSZXKKWISR-UHFFFAOYSA-N,2,1,0.578,88,803,466.879,4.745,5,0.361,0.79,1.0,0.9094818723870879,0.9051384415050373,0.9109725173051881,0.9157442944280721,0.9103342814063464
EOS-2-24375,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccc2F)cn1,FMONJBUHNAYBHT-UHFFFAOYSA-N,2,1,0.593,88,803,466.879,4.745,5,0.361,0.67,1.0,0.8745887876088,0.9153930505105887,0.92508224247824,0.9282263038859571,0.9108225961208964
EOS-2-24376,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,LEWZYNITIGMAIX-UHFFFAOYSA-N,2,1,0.705,88,781,466.879,4.745,5,0.361,0.78,1.0,0.9755756973476801,0.9359622369954081,0.934857103694058,0.9294256733602906,0.9439551778493591
EOS-2-24377,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ccc2F)cn1,LWJGKMJSUDQCJP-UHFFFAOYSA-N,2,1,0.747,88,781,466.879,4.745,5,0.361,0.64,1.0,0.937589952710575,0.9508515523267768,0.9416164073744089,0.937410047289425,0.9418669899252964
EOS-2-24378,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1-c1ccc(Cl)cc1,OOOBZYGVPWKPPK-UHFFFAOYSA-N,2,1,0.54,19,266,466.879,4.745,5,0.361,0.77,1.0,0.6725378658076897,0.7209324240970462,0.8687033102597491,0.8958261942293194,0.7894999485984511
EOS-2-24379,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)cc1-c1ccc(Cl)cc1,GLIDCGHKDCAUBZ-UHFFFAOYSA-N,2,1,0.566,19,266,466.879,4.745,5,0.361,0.76,1.0,0.6817216092111575,0.711937153039545,0.8658419573709821,0.8971455006510863,0.7891615550681927
EOS-2-24380,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)cc1Cl,DLXSYQVDRCTCDD-UHFFFAOYSA-N,2,1,0.3,69,30,466.888,5.534,6,0.364,0.75,1.0,0.43308375025700774,0.48825474607634844,0.8658505242957988,0.8736978274278665,0.6652217120142554
EOS-2-24381,CSc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cnn2)n1,XTCHUYHACXAFBP-UHFFFAOYSA-N,2,1,0.456,13,251,466.889,4.345,5,0.349,0.54,1.0,0.5763484339661435,0.6152679734082653,0.5783702282228771,0.6239462682475498,0.598483225961209
EOS-2-24382,CCOc1ccc(Cl)c(-c2nnc3cncc(OCc4cc(-c5noc(C)n5)nn4C)n23)c1,QBIGCCIABUTPTI-UHFFFAOYSA-N,2,1,0.427,36,677,466.889,3.514,5,0.355,0.68,1.0,0.3451699677883627,0.45307038585429377,0.13641114385580153,0.11933726269618258,0.2634971900486601
EOS-2-24383,COc1cc(-c2nnc3cncc(OCCc4cnc(Cl)n4C)n23)ccc1-c1nnc(C)o1,KVMVPOZMVQQFNU-UHFFFAOYSA-N,2,1,0.473,15,771,466.889,3.167,5,0.356,0.7,1.0,0.5155832362415187,0.5108542937427181,0.13962374066205194,0.09712322664656295,0.3157961243232129
EOS-2-24384,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)cn2)o1,KZNVPNUJCWPYRG-UHFFFAOYSA-N,2,1,0.372,42,392,466.892,4.927,6,0.336,0.73,1.0,0.23839181687341512,0.4082054005894044,0.584769721060928,0.5785672674936605,0.45248355150435204
EOS-2-24385,Cc1cnc(-c2cc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)ccc2Cl)nc1,PGWMWBANDSYASG-UHFFFAOYSA-N,2,1,0.338,32,572,466.892,4.927,6,0.36,0.68,1.0,0.34972757179082997,0.5068192721540675,0.5454132684531561,0.5753718045370434,0.4943329792337743
EOS-2-24386,Oc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncc(Cl)cn6)c5)n34)cc2)c1,WOFJDZVNHNAUBT-UHFFFAOYSA-N,2,1,0.301,9,150,466.892,4.46,6,0.408,0.71,1.0,0.06240148036460832,0.27098896580083615,0.5783787951476937,0.6503066959084367,0.3905189843053937
EOS-2-24387,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)cc2)o1,ZSQOFDNIPDOYNG-UHFFFAOYSA-N,2,1,0.352,9,894,466.892,4.927,6,0.36,0.74,1.0,0.2624905763827017,0.4082139675142211,0.5251353574121034,0.5562846960455075,0.4380311493386334
EOS-2-24388,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc(Cl)o5)nn4)n23)cc1,PBWANZNLAKZDQD-UHFFFAOYSA-N,2,1,0.365,93,641,466.892,4.927,6,0.36,0.74,1.0,0.2810722363100541,0.4265214858474402,0.44845281337810977,0.5298214652868206,0.42146700020560623
EOS-2-24389,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nc6)cn5)n34)cc2)o1,AXRKAYWYPCWIAG-UHFFFAOYSA-N,2,1,0.333,38,787,466.892,4.927,6,0.336,0.74,1.0,0.2244791309711466,0.3606332670824481,0.5586491672949078,0.5785758344184772,0.4305843499417449
EOS-2-24390,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nn6)o5)n34)cc2)cc1,XFOLDGMQVBCTMT-UHFFFAOYSA-N,2,1,0.359,93,641,466.892,4.927,6,0.36,0.81,0.992,0.2705092180111027,0.48358577205126446,0.4484613803029265,0.5527551230210404,0.4388278733465835
EOS-2-24391,Clc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c1,SSLVJTDWUGEQGT-UHFFFAOYSA-N,2,1,0.473,77,834,466.892,5.084,6,0.377,0.76,1.0,0.6602528956205881,0.6727777397025564,0.7106692481666781,0.7345624014803646,0.6945655712425468
EOS-2-24392,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)cc6)nc5)n34)cc2)o1,AZQWPLDCRGUUGI-UHFFFAOYSA-N,2,1,0.372,69,152,466.892,4.636,6,0.39,0.63,1.0,0.1633455554794051,0.2970409841683229,0.6818843807826742,0.7074823521348776,0.46243831814131997
EOS-2-24393,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(Cl)ccn6)cn5)n34)nc2)cc1,DHLBSKYGYRZIGV-UHFFFAOYSA-N,2,1,0.257,32,301,466.892,4.46,6,0.408,0.54,0.378,0.041438215338222194,0.20026900143924337,0.6365910492769515,0.6938009732026592,0.39302480981426907
EOS-2-24394,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6Cl)cn5)n34)cn2)n1,YPRVTQUJIONFEF-UHFFFAOYSA-N,2,1,0.384,32,321,466.892,4.927,6,0.36,0.73,1.0,0.29219210472208895,0.4035963950380371,0.462708176273045,0.54959392776369,0.4270226509492152
EOS-2-24395,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(Cl)cc6)n5)n34)cc2)o1,SAXGAMXPGSFKHC-UHFFFAOYSA-N,2,1,0.395,3,186,466.892,4.927,6,0.36,0.71,1.0,0.30275512302104035,0.5203036118155027,0.5586577342197245,0.6091768898636145,0.4977233397299705
EOS-2-24396,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccnnc5-c5ccccc5Cl)n34)cn2)o1,QWKNKBVLWFVDTB-UHFFFAOYSA-N,2,1,0.333,32,693,466.892,4.927,6,0.36,0.54,1.0,0.27835652114317044,0.40360496196285384,0.5113340415324515,0.5785844013432938,0.4429699814954424
EOS-2-24397,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cncc(Cl)c6)n5)n34)cc2)cc1,WNAIFRIUPXIOSM-UHFFFAOYSA-N,2,1,0.298,3,550,466.892,4.46,6,0.408,0.66,1.0,0.08431567404564458,0.30182989514084024,0.6128178329106984,0.6964310191213762,0.42384860530463986
EOS-2-24398,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(Cl)cn6)cn5)n34)cc2)n[nH]1,OURRRFCBJPPCAV-UHFFFAOYSA-N,2,1,0.305,38,154,466.896,4.057,6,0.412,0.71,1.0,0.2867007059146049,0.31218730724419164,0.29753786580768965,0.3288671098622438,0.3063232472071825
EOS-2-24399,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,KZRRZJQLYQQORC-UHFFFAOYSA-N,2,1,0.337,8,474,466.896,3.759,6,0.361,0.66,0.991,0.14989548351723667,0.28117503940785415,0.17386573915427317,0.28283702282228773,0.22194332122541294
EOS-2-24400,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(Cl)nc6)c5)n34)cc2)nn1,YKUWDLNGGTXWQW-UHFFFAOYSA-N,2,1,0.301,98,725,466.896,3.759,6,0.361,0.55,1.0,0.10126961825783017,0.19555719279007608,0.48723528202316496,0.5260177506682201,0.32751996093482283
EOS-2-24401,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cc2Cl)nn1,GRWQXOFGBBVIRV-UHFFFAOYSA-N,2,1,0.321,94,165,466.896,3.759,6,0.386,0.72,1.0,0.13068843807826744,0.21469570283051195,0.5079929408539511,0.5463213624837229,0.3499246110616133
EOS-2-24402,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)cc2)n1,RDXQPODYIFNNDJ-UHFFFAOYSA-N,2,1,0.314,25,727,466.896,3.759,6,0.361,0.72,1.0,0.16062984031252142,0.2709975327256528,0.37162463162223286,0.44028853402782536,0.3108851346720581
EOS-2-24403,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnnn5-c5ccc(Cl)cc5)n34)cc2)nn1,FEVMCSOIBAPHKZ-UHFFFAOYSA-N,2,1,0.356,3,973,466.896,3.853,6,0.385,0.65,1.0,0.03694914673428826,0.26038311287780136,0.30103317113289013,0.43428311973134126,0.25816213761908025
EOS-2-24404,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,IBGXSUTZQWVBJP-UHFFFAOYSA-N,2,1,0.325,8,50,466.896,3.759,6,0.361,0.63,1.0,0.15530121307655403,0.3018384620656569,0.2463504900280995,0.35779761496813106,0.2653219450346104
EOS-2-24405,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cc(Cl)ccn6)cc5)n34)nc2)nn1,ZVDNXQUHQVMZFN-UHFFFAOYSA-N,2,1,0.313,42,725,466.896,3.759,6,0.386,0.69,1.0,0.10380542800356383,0.19556575971489273,0.35288020012336374,0.4342916866561579,0.27163576862449457
EOS-2-24406,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cncc(Cl)c5)nc4)n23)cc1,YNALOWYFJNWKEC-UHFFFAOYSA-N,2,1,0.329,42,42,466.896,3.759,6,0.386,0.73,1.0,0.24927181139058324,0.26039167980261807,0.36408573778356523,0.4246538962374066,0.3246007813035433
EOS-2-24407,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nn[nH]n6)cc5Cl)n34)cc2)cn1,VSRUWBFCXSYPST-UHFFFAOYSA-N,2,1,0.306,9,303,466.896,4.057,6,0.412,0.73,1.0,0.24117606743883216,0.36064183400726474,0.5006596532108835,0.5562932629703242,0.41469270440682615
EOS-2-24408,Cn1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cn2)n1,HIXQAFLZSKLRLQ-UHFFFAOYSA-N,2,1,0.317,42,303,466.896,3.759,6,0.386,0.65,1.0,0.22738331848399698,0.2762404907134535,0.33759680625042837,0.45319888972654376,0.3236048762936057
EOS-2-24409,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnc(Cl)cn5)c4)n23)cc1,DGEDYCXPINZRKM-UHFFFAOYSA-N,2,1,0.337,98,725,466.896,3.759,6,0.386,0.76,1.0,0.1828867109862244,0.23489651154821464,0.37163319854704957,0.4120176821328216,0.3003585258035775
EOS-2-24410,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)n6)cc5)n34)c2)n1,VQWWLICPPDFAER-UHFFFAOYSA-N,2,1,0.313,25,725,466.896,3.759,6,0.361,0.72,1.0,0.18858371598930848,0.22504454800904666,0.3490165170310465,0.437255842642725,0.2999751559180317
EOS-2-24411,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)c2)nn1,LTZIXHZOAHMLRW-UHFFFAOYSA-N,2,1,0.288,98,887,466.896,3.759,6,0.386,0.64,0.878,0.11691282297306559,0.2658059762867521,0.430085326571174,0.48991672949078197,0.32568021383044343
EOS-2-24412,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)c1,YMNNFPGUJZPCTF-UHFFFAOYSA-N,2,1,0.313,25,213,466.896,3.759,6,0.361,0.78,1.0,0.16879411966280583,0.2604002467274347,0.3528887670481804,0.44990062367212663,0.3079959392776369
EOS-2-24413,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccc(Cl)nn6)n5)n34)cc2)nn1,UFBAQMVSCVJBLE-UHFFFAOYSA-N,2,1,0.329,38,865,466.896,3.759,6,0.386,0.66,1.0,0.1038139949283805,0.20027756836406005,0.3230673017613597,0.37754437667055035,0.25117581043108766
EOS-2-24414,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)c2)n1,CPIFSTMDZGEYIQ-UHFFFAOYSA-N,2,1,0.313,25,727,466.896,3.759,6,0.361,0.75,1.0,0.1306970050030841,0.2658145432115688,0.35664108011788087,0.43100198752655744,0.2960386539647728
EOS-2-24415,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nc[nH]n6)cnc5Cl)n34)cc2)n1,FOUCEHRBCRJLHJ-UHFFFAOYSA-N,2,1,0.301,42,7,466.896,4.057,6,0.386,0.64,1.0,0.21609211157562883,0.34626653416489617,0.43400897813720785,0.4561544787882941,0.3631305256665067
EOS-2-24416,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nn6)cn5)n34)cc2)n[nH]1,NQGFUYVOEQFFMX-UHFFFAOYSA-N,2,1,0.309,38,787,466.896,4.057,6,0.412,0.7,1.0,0.17694983208827358,0.2866236035912549,0.35289733397299705,0.3835412240422178,0.30000299842368583
EOS-2-24417,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)c1,CYDOSDWZIFCFGJ-UHFFFAOYSA-N,2,1,0.287,42,725,466.896,3.759,6,0.361,0.68,1.0,0.18859228291412514,0.19095675416352545,0.39034336234665207,0.4279949969159071,0.2994718490850524
EOS-2-24418,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(Cl)n6)cn5)n34)cn2)n[nH]1,OKURBNJGXZWLRU-UHFFFAOYSA-N,2,1,0.289,70,392,466.896,4.057,6,0.386,0.62,0.979,0.1997549859502433,0.3221763415804263,0.37557398396271674,0.38055136728120076,0.31951416969364677
EOS-2-24419,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5Cl)n34)cn2)nn1,XSVQGAVWDONXHX-UHFFFAOYSA-N,2,1,0.308,98,154,466.896,4.057,6,0.412,0.68,0.997,0.23566753478171476,0.3751542046467,0.4190511274073059,0.45951271331642796,0.3723463950380371
EOS-2-24420,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccc(Cl)nc6)n5)n34)cc2)nn1,LSMNJFHYDIMFSY-UHFFFAOYSA-N,2,1,0.309,38,167,466.896,3.759,6,0.361,0.72,1.0,0.09160612706462888,0.19096532108834213,0.41905969433212253,0.46885066136659587,0.2926204509629224
EOS-2-24421,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2Cl)nn1,QDCYNPRTTIMVCP-UHFFFAOYSA-N,2,1,0.321,94,170,466.896,3.759,6,0.386,0.71,1.0,0.09387636214104585,0.21470426975532864,0.48345726817901447,0.5433143718730724,0.33383806798711535
EOS-2-24422,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)cc4)n23)c1,VNGIOUYWCJHDNP-UHFFFAOYSA-N,2,1,0.338,25,508,466.896,3.759,6,0.386,0.76,1.0,0.21342779795764513,0.20979542183537797,0.2936913165650058,0.3868137893221849,0.27593208142005343
EOS-2-24423,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,OPRZGXZVSFSKQX-UHFFFAOYSA-N,2,1,0.342,8,474,466.896,3.759,6,0.361,0.71,1.0,0.15530978000137072,0.2147128366801453,0.13963230758686862,0.2411075320402988,0.18769061407717086
EOS-2-24424,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5Cl)n34)cc2)n[nH]1,BIHISBDLUIWHJL-UHFFFAOYSA-N,2,1,0.318,9,7,466.896,4.057,6,0.412,0.68,1.0,0.22160921115756288,0.32218490850524295,0.4801504351997807,0.5260263175930368,0.38749271811390584
EOS-2-24425,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(Cl)n5)cn4)n23)cc1,ZZHJXKNBZZRZMG-UHFFFAOYSA-N,2,1,0.347,98,167,466.896,3.759,6,0.361,0.75,1.0,0.19976355287505998,0.24054211500239875,0.31574258104310876,0.38354979096703445,0.2848995099719005
EOS-2-24426,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nn1,ZNVPRKYPWZWWAF-UHFFFAOYSA-N,2,1,0.321,42,171,466.896,3.759,6,0.386,0.76,1.0,0.12206154478788295,0.22505311493386335,0.4834658351038311,0.5433229387978891,0.3434758584058666
EOS-2-24427,Cn1cc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cnc2Cl)cn1,ZMNAFBYCJIZNFR-UHFFFAOYSA-N,2,1,0.312,94,167,466.896,3.759,6,0.386,0.72,1.0,0.12769858131725037,0.2920121993009389,0.42300047974778976,0.4656380645603454,0.32708733123158107
EOS-2-24428,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(Cl)nc6)nc5)n34)cc2)n1,YIEXVBNEDQTJQN-UHFFFAOYSA-N,2,1,0.321,42,106,466.896,3.759,6,0.361,0.74,1.0,0.23840038379823178,0.26582311013638543,0.4082225344390378,0.43101055445137415,0.3358641457062573
EOS-2-24429,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(Cl)c6)n5)n34)cc2)nn1,REDVBSQGEVSKHG-UHFFFAOYSA-N,2,1,0.324,3,158,466.896,3.853,6,0.385,0.75,1.0,0.024612774998286614,0.2405506819272154,0.25,0.36782948392844905,0.22074823521348777
EOS-2-24430,Fc1ccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)ccc2Cl)cc1,JPGJMZOUOPHKQR-UHFFFAOYSA-N,2,1,0.408,69,30,466.903,7.178,6,0.276,0.74,1.0,0.4310448221506408,0.6630028784867384,0.9777602631759303,0.9881605099033651,0.7649921184291687
EOS-2-24431,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cc1Cl,RTHCLRIIHJJVER-UHFFFAOYSA-N,2,1,0.406,93,68,466.907,6.104,6,0.315,0.75,1.0,0.06241004728942499,0.3653450757316154,0.9416249742992255,0.9588187924062779,0.5820497224316359
EOS-2-24432,Fc1cc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)ccc1-c1cccc(Cl)c1,AHQYNFAAVFQPLZ-UHFFFAOYSA-N,2,1,0.387,93,68,466.907,6.104,6,0.315,0.71,1.0,0.01669693646768556,0.3221934754300596,0.9317558769104243,0.9564714550065109,0.5567794359536701
EOS-2-24433,Fc1cc(-c2ccccc2Cl)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,RPBUXDJDKBMDRU-UHFFFAOYSA-N,2,1,0.39,93,68,466.907,6.104,6,0.315,0.71,1.0,0.035492769515454735,0.3361661298060448,0.9268470289904736,0.9544239599753273,0.5632324720718251
EOS-2-24434,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,MUFSGOBSAKMLIR-UHFFFAOYSA-N,2,1,0.351,93,68,466.907,6.104,6,0.315,0.76,1.0,0.0519755328627236,0.37980604482215063,0.9309420190528408,0.9564800219313275,0.5798009046672606
EOS-2-24435,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)c6)c5)n34)cc2)cc1,XFHJSJWJSNWQMB-UHFFFAOYSA-N,2,1,0.382,83,68,466.907,6.104,6,0.315,0.79,1.0,0.057089986978274276,0.3893667329175519,0.9416335412240422,0.964849907477212,0.5882350421492701
EOS-2-24436,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)ccc1Cl,LMNSJOLXZJPWQN-UHFFFAOYSA-N,2,1,0.406,93,68,466.907,6.104,6,0.315,0.72,1.0,0.062418614214241656,0.36535364265643205,0.9416421081488588,0.9588273593310945,0.5820604310876567
EOS-2-24437,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)nn1C,VWOJDMLCNMAHED-UHFFFAOYSA-N,2,1,0.453,95,864,466.908,3.822,5,0.362,0.58,0.962,0.3518436022205469,0.29704955109313963,0.3940271400178192,0.43726440956754165,0.37004617572476184
EOS-2-24438,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)nn2C)cn1,DQKUHDSRCLFUHW-UHFFFAOYSA-N,2,1,0.489,95,998,466.908,3.822,5,0.362,0.67,0.999,0.2894164210814886,0.23490507847303133,0.40482146528682067,0.440297100952642,0.3423600164484956
EOS-2-24439,COCc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)s1,NVFBLHPTWOBELL-UHFFFAOYSA-N,2,1,0.436,55,283,466.914,3.479,5,0.355,0.75,1.0,0.4682081420053458,0.5480604482215065,0.1516688369542869,0.18627064628880816,0.33855201836748683
EOS-2-24440,OCc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,BEEWJXKCLIRFGD-UHFFFAOYSA-N,2,1,0.41,31,466,466.914,2.867,5,0.385,0.51,0.253,0.4587416900829278,0.4310191213761908,0.21104619285861148,0.24420875882393256,0.3362539407854157
EOS-2-24441,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2O)s1,JKAXTDKYMFFMDJ-UHFFFAOYSA-N,2,1,0.457,20,279,466.914,3.389,5,0.4,0.67,1.0,0.5518812966897403,0.6678774587074224,0.11915735727503256,0.13911829209786855,0.369508601192516
EOS-2-24442,OCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)cn1,WTHZUOUNTNWORW-UHFFFAOYSA-N,2,1,0.396,31,194,466.914,2.867,5,0.385,0.61,0.992,0.4955280652456994,0.4443835240901926,0.1801966965937907,0.20322459050099376,0.3308332191076691
EOS-2-24443,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cscn1,BCPXHPAFEKCWIY-UHFFFAOYSA-N,2,1,0.438,49,501,466.914,3.383,5,0.356,0.55,0.959,0.5494911246658899,0.5108628606675348,0.11329758070043178,0.109913645397848,0.3208913028579261
EOS-2-24444,COCc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)cn2)cs1,NUKKWRGREQMEJJ-UHFFFAOYSA-N,2,1,0.43,55,283,466.914,3.479,5,0.332,0.66,1.0,0.5208433280789527,0.6054759783428141,0.20044033993557672,0.1752450140497567,0.37550116510177506
EOS-2-24445,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1-c1nccs1,RMTMROBUNLRGSD-UHFFFAOYSA-N,2,1,0.43,49,501,466.914,3.383,5,0.333,0.61,0.994,0.602486121581797,0.5572441916249743,0.1105218970598314,0.09126345007196217,0.34037891508464124
EOS-2-24446,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)ccc1-c1csc(C)n1,WFAYHPVVHIYYPV-UHFFFAOYSA-N,2,1,0.426,49,122,466.914,3.649,5,0.346,0.65,0.991,0.4496007813035433,0.5108714275923515,0.13325851552326776,0.08934445891302858,0.29576879583304777
EOS-2-24447,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)cc2)ccc1=O,VFIKMLBMWHJQHP-UHFFFAOYSA-N,2,1,0.489,72,889,466.914,2.678,5,0.375,0.63,1.0,0.4446062641354259,0.5665136042766089,0.05983140291960798,0.10543314371873072,0.29409610376259343
EOS-2-24448,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nnc(C)s1,PGIFTVMWAIHSNG-UHFFFAOYSA-N,2,1,0.421,49,62,466.914,3.649,5,0.37,0.75,0.998,0.48071585223768076,0.4530789527791104,0.12474299225549997,0.12165889932149955,0.29504917414844767
EOS-2-24449,OCc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)s1,BNYPBYHRYXKRCX-UHFFFAOYSA-N,2,1,0.454,20,279,466.914,2.867,5,0.385,0.59,1.0,0.5056370365293674,0.52493831814132,0.12738160509903365,0.1566376533479542,0.32864865327941883
EOS-2-24450,COc1cc(-c2nnc3cncc(OCc4nnc(C)c(Cl)n4)n23)ccc1-c1cncs1,LRDZDBOZGHABAT-UHFFFAOYSA-N,2,1,0.43,16,83,466.914,3.649,5,0.37,0.63,1.0,0.5290333082036872,0.6241861421424165,0.14250222740045235,0.13453498732095126,0.3575641662668768
EOS-2-24451,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)cc1,ZPVFYJZIMQSYER-UHFFFAOYSA-N,2,1,0.602,79,881,466.925,6.059,5,0.292,0.74,1.0,0.9839370159687478,0.972020423548763,0.8856315536974847,0.897154067575903,0.9346857651977246
EOS-2-24452,Fc1cccc(COc2cccc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)c2)c1,PBJDNTUYSQCETL-UHFFFAOYSA-N,2,1,0.578,1,709,466.925,5.803,5,0.303,0.76,1.0,0.9153587828113221,0.8854002467274347,0.9360479062435748,0.9282348708107737,0.9162604516482764
EOS-2-24453,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ccn2)s1,JPTKHLRGGGNXLD-UHFFFAOYSA-N,2,1,0.675,84,360,466.929,5.032,5,0.349,0.7,1.0,0.8568809540127476,0.8411092454252621,0.7186793228702625,0.7184223151257625,0.7837729593585085
EOS-2-24454,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)s1,BPDBERKLCBCJMV-UHFFFAOYSA-N,2,1,0.553,35,429,466.929,5.032,5,0.349,0.7,1.0,0.9311647590980742,0.922863408950723,0.7186878897950791,0.7345709684051813,0.8268217565622644
EOS-2-24455,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cs1,NYFWHEQTRMLJAV-UHFFFAOYSA-N,2,1,0.687,84,360,466.929,5.032,5,0.349,0.74,1.0,0.8056079089849908,0.8193578233157426,0.7538551161675006,0.7476012610513331,0.7816055273798918
EOS-2-24456,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccn2)s1,RQLVPJYNCPONQW-UHFFFAOYSA-N,2,1,0.675,84,360,466.929,5.032,5,0.349,0.73,1.0,0.8591768898636145,0.8411178123500788,0.7186964567198958,0.7184308820505791,0.784355510246042
EOS-2-24457,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)cs1,SXICCJCFQBSRJM-UHFFFAOYSA-N,2,1,0.575,84,749,466.929,5.032,5,0.349,0.82,1.0,0.8289356452607772,0.9094390377630046,0.6459889658008361,0.6731546843944898,0.764379583304777
EOS-2-24458,Cc1ccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5nccs5)c4)n23)c(Cl)n1,PXHJILJRVFYXLQ-UHFFFAOYSA-N,2,1,0.539,11,684,466.929,5.032,5,0.326,0.69,1.0,0.7513792748954835,0.8342471386471112,0.6487817832910698,0.6616321705160716,0.724010091837434
EOS-2-24459,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccn2)cs1,YSLOFXSIRVBALO-UHFFFAOYSA-N,2,1,0.684,11,360,466.929,5.032,5,0.349,0.78,1.0,0.9209101500925228,0.8411263792748955,0.7080649030224111,0.7074909190596943,0.7943980878623809
EOS-2-24460,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)cs1,JWSSLODQXYZNBO-UHFFFAOYSA-N,2,1,0.747,84,360,466.929,5.032,5,0.349,0.82,1.0,0.9287745870742239,0.9344801590021246,0.7006288122815434,0.6991724350627099,0.8157639983551505
EOS-2-24461,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)s1,VLDXLDFVIWHDCE-UHFFFAOYSA-N,2,1,0.757,91,781,466.929,5.032,5,0.349,0.7,1.0,0.9355852923034748,0.9508601192515934,0.6843602220546913,0.7045695976972106,0.8188438078267425
EOS-2-24462,Cc1cc(F)c(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cn1,KERUZZCJNPLKMC-UHFFFAOYSA-N,2,1,0.511,75,278,466.929,5.032,5,0.349,0.69,1.0,0.8765334795421835,0.8445617161263793,0.6871530395449249,0.6938095401274759,0.7755144438352409
EOS-2-24463,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)cs1,PWRNYGDGYXEVAJ-UHFFFAOYSA-N,2,1,0.539,84,73,466.929,5.032,5,0.349,0.77,1.0,0.7273233500102803,0.7660287163319854,0.7391371393324652,0.7398824617915153,0.7430929168665615
EOS-2-24464,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)cs1,ZBCFMDUHGCGTAN-UHFFFAOYSA-N,2,1,0.523,11,639,466.929,5.032,5,0.326,0.79,1.0,0.8785895414981838,0.8775872112946337,0.6219758755397162,0.6386813789322184,0.754208501816188
EOS-2-24465,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cn2)cs1,BXKPAHUVOAGPPT-UHFFFAOYSA-N,2,1,0.612,84,524,466.929,5.032,5,0.349,0.75,1.0,0.7972551572887396,0.9051470084298541,0.6653159481872387,0.6823127270235076,0.762507710232335
EOS-2-24466,Cc1csc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ccn2)n1,GCWJCUUPDKKWBO-UHFFFAOYSA-N,2,1,0.684,11,360,466.929,5.032,5,0.349,0.72,1.0,0.9166609553834556,0.8572750325543143,0.660098690973888,0.6673120416695223,0.7753366801452951
EOS-2-24467,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2)cs1,VFOFARRZWBFSAW-UHFFFAOYSA-N,2,1,0.541,91,684,466.929,5.032,5,0.326,0.68,1.0,0.9153673497361388,0.9209272839421562,0.6953601535192927,0.6792029333150572,0.8027144301281612
EOS-2-24468,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)s1,JTLJATOECBTRIU-UHFFFAOYSA-N,2,1,0.738,84,360,466.929,5.032,5,0.349,0.7,1.0,0.907931258995271,0.9312761291206908,0.7106778150914947,0.7103779727229114,0.815065793982592
EOS-2-24469,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)cs1,IOXIJEWEDJKYEN-UHFFFAOYSA-N,2,1,0.573,84,672,466.929,5.032,5,0.349,0.81,1.0,0.8238640257693098,0.9228719758755397,0.6765043519978069,0.6938181070522925,0.7792646151737372
EOS-2-24470,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)ccn2)s1,JFIMZIXGBYFSTN-UHFFFAOYSA-N,2,1,0.619,84,73,466.929,5.032,5,0.349,0.76,1.0,0.7424525392365157,0.8193663902405592,0.6953687204441094,0.7131622232883285,0.7425874683023782
EOS-2-24471,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)s1,LRTDRBBTAHIJFN-UHFFFAOYSA-N,2,1,0.567,84,672,466.929,5.032,5,0.349,0.75,1.0,0.8107737646494414,0.9190768281817558,0.6871616064697417,0.707499485984511,0.7811279213213624
EOS-2-24472,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccc2F)cs1,CWHJKRDHIYMDNP-UHFFFAOYSA-N,2,1,0.552,11,275,466.929,5.032,5,0.349,0.71,1.0,0.8933931875813858,0.9154016174354054,0.6542903159481872,0.6731632513193064,0.7840620930710712
EOS-2-24473,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)ccn2)s1,QISQMRMSIDWQFV-UHFFFAOYSA-N,2,1,0.59,84,752,466.929,5.032,5,0.349,0.65,1.0,0.7212836680145295,0.8039544924953739,0.6843687889795079,0.6991810019875265,0.7271969878692345
EOS-2-24474,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)cs1,ZEZYSPCEYIURCD-UHFFFAOYSA-N,2,1,0.562,84,752,466.929,5.032,5,0.349,0.67,1.0,0.6757418956891235,0.7660372832568021,0.7214378726612295,0.7318209855390309,0.7237595092865464
EOS-2-24475,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)cs1,PYDLPYFTQPNMBE-UHFFFAOYSA-N,2,1,0.529,84,749,466.929,5.032,5,0.349,0.75,1.0,0.7362243848947981,0.770217942567336,0.7031560551024604,0.7236909738880132,0.7333223391131519
EOS-2-24476,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cc2F)n1,HQBQFSVOTNKFIG-UHFFFAOYSA-N,2,1,0.558,35,325,466.929,5.032,5,0.349,0.61,1.0,0.9434325954355425,0.9228805428003564,0.6601072578987047,0.667320608594339,0.7984352511822357
EOS-2-24477,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)cs1,KCDLGZXCKOVXNC-UHFFFAOYSA-N,2,1,0.573,84,672,466.929,5.032,5,0.349,0.85,1.0,0.8238725926941265,0.9209358508669728,0.6765129189226236,0.6964395860461928,0.7794402371324789
EOS-2-24478,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)s1,HVPOWXZRWAVOIL-UHFFFAOYSA-N,2,1,0.74,91,781,466.929,5.032,5,0.349,0.71,1.0,0.8704252621478994,0.898130697005003,0.6653245151120554,0.6938266739771092,0.7819267870605168
EOS-2-24479,Cc1nsc(Cl)c1CCOc1cncc2nnc(-c3ccc(F)c(-c4cccnc4)c3)n12,ZGVSMNWKPNUHAW-UHFFFAOYSA-N,2,1,0.573,35,494,466.929,5.032,5,0.349,0.74,1.0,0.8185696662326092,0.8720015763141663,0.5420550339250223,0.6445240216571859,0.7192875745322459
EOS-2-24480,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)ccn2)cs1,ABHRYCOGJNWNLS-UHFFFAOYSA-N,2,1,0.598,11,524,466.929,5.032,5,0.349,0.73,1.0,0.7744671372764033,0.8039630594201905,0.6736686998834899,0.6878726612295251,0.7349928894524022
EOS-2-24481,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)s1,GYNAVDOELUPAJT-UHFFFAOYSA-N,2,1,0.757,91,781,466.929,5.032,5,0.349,0.71,1.0,0.9343773559043246,0.9518367486806936,0.6843773559043246,0.7045781646220273,0.8187924062778426
EOS-2-24482,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c(F)c2)s1,UHUJZAODCGMPLZ-UHFFFAOYSA-N,2,1,0.662,19,629,466.929,5.032,5,0.349,0.75,1.0,0.8823075868686177,0.9312846960455075,0.6275615105201837,0.6907511479679255,0.7829762353505586
EOS-2-24483,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccn2)s1,AOKAWTXLVAFGON-UHFFFAOYSA-N,2,1,0.602,84,749,466.929,5.032,5,0.349,0.73,1.0,0.7802669453772874,0.8233071756562265,0.665333082036872,0.6907597148927421,0.739916729490782
EOS-2-24484,Cc1nc(-c2ccc(Cl)cc2F)cc(-c2nnc3cncc(OCCc4ccsc4)n23)n1,UKBAPLXKWXAFSU-UHFFFAOYSA-N,2,1,0.511,44,531,466.929,5.032,5,0.349,0.75,1.0,0.7660458501816189,0.7872232883284216,0.6219844424645329,0.6731718182441231,0.7121063498046741
EOS-2-24485,Cc1cn(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)o1,VOXVUXDNSCHUAF-UHFFFAOYSA-N,2,1,0.368,93,74,466.932,6.081,6,0.314,0.69,1.0,0.17145843328078952,0.3798146117469673,0.7419299568226989,0.780249811527654,0.5183632033445275
EOS-2-24486,Cc1c(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)c(-c2ccccc2)nn1C,MKWAMNDOVPHHQF-UHFFFAOYSA-N,2,1,0.308,30,668,466.936,5.006,6,0.365,0.68,1.0,0.0005311493386334042,0.1389383866767185,0.39403570694263584,0.5260348845178535,0.2648850318689603
EOS-2-24487,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5c[nH]c(-c6ccc(Cl)cc6)n5)n34)cc2)n1C,RJMPVFVBUZAHEK-UHFFFAOYSA-N,2,1,0.375,9,98,466.936,5.211,6,0.385,0.74,1.0,0.19141936810362553,0.3751627715715167,0.6275700774450004,0.6558323624151875,0.4624961448838325
EOS-2-24488,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cc4Cl)n23)cc1,WETVMVIVFUAXCH-UHFFFAOYSA-N,2,1,0.333,9,867,466.936,4.913,6,0.368,0.6,1.0,0.2052378178329107,0.23491364539784798,0.6980673017613598,0.6907682818175588,0.4572467617024193
EOS-2-24489,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1nccn1C,WPQNHHWXKHHSEZ-UHFFFAOYSA-N,2,1,0.516,15,771,466.954,4.537,5,0.35,0.8,1.0,0.730501679117264,0.6054845452676307,0.45911006785004455,0.38355835789185116,0.5446636625316976
EOS-2-24490,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cnn(C)c1,LKVDSNFAERJBLX-UHFFFAOYSA-N,2,1,0.522,15,771,466.954,4.537,5,0.35,0.69,1.0,0.6080631896374478,0.6432218490850524,0.587913782468645,0.4899252964155987,0.5822810294016859
EOS-2-24491,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ccnn1C,CSTDKWJCEHORPA-UHFFFAOYSA-N,2,1,0.516,15,771,466.954,4.537,5,0.35,0.74,1.0,0.5736584195737098,0.5619731341237749,0.5285963950380371,0.4434925639092591,0.5269301281611953
EOS-2-24492,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cc(C)nn1C,XPMXPSPJSOTAMF-UHFFFAOYSA-N,2,1,0.484,4,224,466.954,4.803,5,0.357,0.69,1.0,0.48577890480433145,0.5203121787403193,0.542063600849839,0.4246624631622233,0.4932042868891783
EOS-2-24493,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)nc1,WATJKXSRLSBNDS-UHFFFAOYSA-N,2,1,0.365,32,126,466.957,6.297,6,0.305,0.74,1.0,0.13070557192790075,0.32666541018436024,0.7238708793091632,0.8177044068261257,0.49973656706188746
EOS-2-24494,Clc1cc(-c2nccs2)ccc1-c1nnc2cncc(-c3ccc(-c4ccccc4)cn3)n12,KHGSHMQNLSWXHL-UHFFFAOYSA-N,2,1,0.373,93,93,466.957,6.297,6,0.305,0.75,1.0,0.18860084983894182,0.37517133849633333,0.7699438009732027,0.837733877047495,0.5428624665889932
EOS-2-24495,Clc1ccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,HATRAYFNQHFZEI-UHFFFAOYSA-N,2,1,0.408,69,479,466.957,6.297,6,0.305,0.76,1.0,0.1526026317593037,0.4749760126105133,0.7238794462339798,0.8136693852374751,0.541281868960318
EOS-2-24496,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5csc(-c6ccccn6)n5)n34)cc2)c1,UXNANKJMYLGJLR-UHFFFAOYSA-N,2,1,0.405,93,651,466.957,6.297,6,0.305,0.77,1.0,0.15531834692618737,0.4486841203481598,0.7132735933109451,0.8136779521622918,0.532738503186896
EOS-2-24497,Clc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cs2)cc1,GZIRXFPFQOKUAC-UHFFFAOYSA-N,2,1,0.408,69,479,466.957,6.297,6,0.305,0.77,1.0,0.13853574121033513,0.4574566513604277,0.7444143650195326,0.8217222945651429,0.5405322630388596
EOS-2-24498,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)n1,JANLAOZRECMSJA-UHFFFAOYSA-N,2,1,0.377,69,898,466.957,6.297,6,0.285,0.68,1.0,0.2134363648824618,0.379823178671784,0.829561030772394,0.8641371393324652,0.5717394284147762
EOS-2-24499,Clc1cc(-c2cscn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,VPKHBERWBHYNGR-UHFFFAOYSA-N,2,1,0.347,69,695,466.957,6.297,6,0.305,0.78,1.0,0.18005962579672402,0.3653622095812487,0.8167277773970255,0.8673326022890823,0.5573705537660202
EOS-2-24500,Clc1cc(-c2cscn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,JGDBSEWCAXWOHK-UHFFFAOYSA-N,2,1,0.356,69,484,466.957,6.297,6,0.305,0.73,1.0,0.2543691316565006,0.42216948804057297,0.8792491947090673,0.9057295593173874,0.6153793434308821
EOS-2-24501,Clc1ccccc1-c1cccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c1,PZFCEZBHWAAAPM-UHFFFAOYSA-N,2,1,0.368,93,479,466.957,6.297,6,0.305,0.74,1.0,0.21904770063737922,0.37983174559660066,0.8255774107326435,0.8791035569871839,0.5758901034884518
EOS-2-24502,Clc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)nc2)c1,MAMPSPJRYUTNBT-UHFFFAOYSA-N,2,1,0.363,32,20,466.957,6.297,6,0.305,0.84,1.0,0.16335412240422179,0.3606504009320814,0.7837451168528545,0.8557244191624974,0.5408685148379138
EOS-2-24503,Clc1ccnc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cs2)c1,QBWLAZJFTNFAQB-UHFFFAOYSA-N,2,1,0.391,93,651,466.957,6.297,6,0.305,0.77,1.0,0.16063840723733808,0.41772325406072236,0.7031646220272771,0.8112706462888082,0.5231992324035364
EOS-2-24504,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)s1,AREAYELGIOUFBI-UHFFFAOYSA-N,2,1,0.38,69,57,466.957,6.297,6,0.305,0.72,1.0,0.21905626756219587,0.43102768830100746,0.8378795147693784,0.870613734493866,0.5896443012816119
EOS-2-24505,Clc1cccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1,JYPGEJPKOPAINY-UHFFFAOYSA-N,2,1,0.395,69,479,466.957,6.297,6,0.305,0.73,1.0,0.1385443081351518,0.41305428003563843,0.7106863820163114,0.8069529161812076,0.5173094715920773
EOS-2-24506,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)cc1,LGLMFZPWAQJJTG-UHFFFAOYSA-N,2,1,0.384,69,987,466.957,6.297,6,0.305,0.72,1.0,0.23840895072304846,0.4530875197039271,0.8458895894729628,0.8889212528270852,0.6065768281817558
EOS-2-24507,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)nc1,PEWKSZCENRRBRF-UHFFFAOYSA-N,2,1,0.38,32,20,466.957,6.297,6,0.305,0.83,1.0,0.12770714824206703,0.31721609211157564,0.8130354328010417,0.8762679048728669,0.5335566445068878
EOS-2-24508,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)nc5)n34)cc2)cc1,LRSKMLYSZPXDSE-UHFFFAOYSA-N,2,1,0.386,69,479,466.957,6.297,6,0.305,0.71,1.0,0.16064697416215476,0.46637482009457887,0.7963727640326228,0.8592539921869645,0.5706621376190802
EOS-2-24509,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)cc1,NDTCCEZNCKBEPL-UHFFFAOYSA-N,2,1,0.414,93,107,466.957,6.297,6,0.305,0.71,1.0,0.19977211979987664,0.5022359673771503,0.6871701733945583,0.8255945445822768,0.5536932012884654
EOS-2-24510,Clc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cc2)s1,IOZKDHCAYLIXML-UHFFFAOYSA-N,2,1,0.397,69,958,466.957,6.297,6,0.305,0.75,1.0,0.17419984922212323,0.35596429305736416,0.8509954766636968,0.8737063943526832,0.5637165033239668
EOS-2-24511,Clc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)s2)c1,IOIBEHATZRAZGP-UHFFFAOYSA-N,2,1,0.38,32,126,466.957,6.297,6,0.305,0.72,1.0,0.1220701117126996,0.3313258172846275,0.7391457062572819,0.8217308614899596,0.5035681241861422
EOS-2-24512,Clc1ccsc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1,DYNRBLYYXJYDGF-UHFFFAOYSA-N,2,1,0.351,69,645,466.957,6.297,6,0.305,0.69,1.0,0.24650469467479955,0.42653005277225686,0.8754454800904667,0.9031937495716538,0.6129184942772943
EOS-2-24513,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnsc5)cn4)n23)cc1,YGFHTMDPHXOIDT-UHFFFAOYSA-N,2,1,0.389,69,30,466.957,6.297,6,0.305,0.71,1.0,0.22448769789596326,0.37517990542115004,0.8629977383318485,0.9044959221437873,0.5917903159481873
EOS-2-24514,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cc1,QLNURKFKUVWYTM-UHFFFAOYSA-N,2,1,0.394,21,538,466.957,6.297,6,0.305,0.78,1.0,0.11941436501953259,0.3559728599821808,0.8658590912206154,0.9133541224042218,0.5636501096566376
EOS-2-24515,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)s1,QOCGVFVYGDANFL-UHFFFAOYSA-N,2,1,0.361,30,93,466.957,6.297,6,0.305,0.73,0.999,0.21344493180727847,0.3939757384689192,0.7581557124254678,0.8196747995339593,0.5463127955589062
EOS-2-24516,Clc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cs2)cc1,ZPKWNJYSKRNRRQ-UHFFFAOYSA-N,2,1,0.325,93,93,466.957,6.297,6,0.305,0.79,1.0,0.11116441642108149,0.3798403125214173,0.7056832979233775,0.8158625179905421,0.5031376362141046
EOS-2-24517,Clc1cccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cs2)n1,XXIMKYZOBAMQDS-UHFFFAOYSA-N,2,1,0.418,93,651,466.957,6.297,6,0.285,0.8,1.0,0.20524638475772736,0.4036135288876705,0.6736772668083065,0.7823487081077376,0.5162214721403605
EOS-2-24518,CNCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nn2C)cn1,SLWSGOILANSCAL-UHFFFAOYSA-N,2,1,0.421,95,694,466.958,3.6,5,0.391,0.58,1.0,0.23841751764786512,0.2604088136522514,0.2679562744157357,0.2411160989651155,0.25197467617024194
EOS-2-24519,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)s1,ROYFLXVTHGQKOD-UHFFFAOYSA-N,2,1,0.595,12,650,432.936,5.795,5,0.34,0.79,1.0,0.9741621547529299,0.9598639572339113,0.7877630045918717,0.8416575286135289,0.8908616612980604
EOS-2-24520,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cc1,BAIBTLWFJJSKOC-UHFFFAOYSA-N,2,1,0.649,91,660,432.936,5.795,5,0.34,0.8,1.0,0.8843208142005345,0.9283291069837571,0.8540196011239806,0.8889298197519019,0.8888998355150436
EOS-2-24521,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1-c1ccccc1,WPKMWVGOXCPSFH-UHFFFAOYSA-N,2,1,0.432,95,835,432.875,3.257,5,0.406,0.67,1.0,0.3796518401754506,0.35100404358851345,0.17387430607908985,0.2497858268795833,0.2885790041806593
EOS-2-24522,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)n1,QYWGQMSSMIVSRB-UHFFFAOYSA-N,2,1,0.595,15,320,432.875,3.257,5,0.38,0.73,1.0,0.7916009869097389,0.7743643341786033,0.3677352477554657,0.3578061818929477,0.5728766876841889
EOS-2-24523,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccncc1,ZLDKBRXOAQXEGW-UHFFFAOYSA-N,2,1,0.483,95,493,432.875,3.257,5,0.406,0.72,0.999,0.414819066547872,0.3462751010897128,0.337605373175245,0.3805599342060174,0.3698148687547118
EOS-2-24524,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5cnn(C)c5)cn4)n23)ccc1Cl,FSELUINTKXFWSS-UHFFFAOYSA-N,2,1,0.506,51,969,432.875,3.523,5,0.419,0.77,1.0,0.4980895757658831,0.6678860256322391,0.5006682201357001,0.4595212802412446,0.5315412754437667
EOS-2-24525,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cn1,DLAKBZKCGKGXBN-UHFFFAOYSA-N,2,1,0.474,87,954,432.875,3.257,5,0.38,0.72,1.0,0.47844561716126377,0.586782948392845,0.3529059008978137,0.35156946062641353,0.442425981769584
EOS-2-24526,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)n1,HLWFOGJZGKYIHB-UHFFFAOYSA-N,2,1,0.61,15,320,432.875,3.257,5,0.406,0.68,1.0,0.7333887327804811,0.7613426084572682,0.3082036872044411,0.3165393050510589,0.5298685833733123
EOS-2-24527,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,FXNWFMXZRRJHOT-UHFFFAOYSA-N,2,1,0.588,15,320,432.875,3.257,5,0.38,0.74,1.0,0.8001422109519567,0.734913645397848,0.3829586731546844,0.38682235624700156,0.5762092214378727
EOS-2-24528,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2Cl)n1,BLLZZUTUUWHZSH-UHFFFAOYSA-N,2,1,0.612,37,393,432.875,3.257,5,0.406,0.73,1.0,0.6965509560688096,0.8233157425810431,0.44846994722774314,0.46257110547597835,0.6077269378383935
EOS-2-24529,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,CKPJQLFYZRBEOM-UHFFFAOYSA-N,2,1,0.573,15,475,432.875,3.257,5,0.38,0.65,1.0,0.6906826125693921,0.682535467068741,0.43401754506202456,0.44030566787745873,0.5618853231444041
EOS-2-24530,Cn1nc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ccc(Cl)cc1,QODOGSDGFAQJEO-UHFFFAOYSA-N,2,1,0.488,95,835,432.875,3.257,5,0.406,0.81,1.0,0.4265386196970735,0.4357994654238914,0.2679648413405524,0.34174319786169555,0.36801153108080326
EOS-2-24531,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,RAEGDKUGGMJXRH-UHFFFAOYSA-N,2,1,0.595,15,187,432.875,3.257,5,0.38,0.72,1.0,0.8765420464670002,0.7831197313412378,0.3903519292714687,0.4053183469261874,0.6138330135014736
EOS-2-24532,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)n1,OMLRIWVRJAWOJN-UHFFFAOYSA-N,2,1,0.494,65,142,432.875,3.257,5,0.38,0.64,1.0,0.49809814269069974,0.5203207456651361,0.44143650195325884,0.41823726954972246,0.4695231649647043
EOS-2-24533,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cn1,ONCIGNNQGVTTBJ-UHFFFAOYSA-N,2,1,0.472,92,329,432.875,3.697,5,0.403,0.68,1.0,0.3427026934411624,0.35598142690699747,0.4340261119868412,0.41511034199163865,0.38695514358165994
EOS-2-24534,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,AYASLYUFMCWCNV-UHFFFAOYSA-N,2,1,0.444,2,36,432.875,3.697,5,0.403,0.71,1.0,0.31832979233774245,0.35101261051333016,0.4834744020286478,0.4656466314851621,0.4046158590912206
EOS-2-24535,COc1cc(-c2nnc3cncc(-c4cncc(-c5nc(C)nn5C)c4)n23)ccc1Cl,PRTQPNWNXZHKIB-UHFFFAOYSA-N,2,1,0.345,50,859,432.875,3.619,5,0.428,0.75,1.0,0.26249914330751833,0.36537077650606536,0.3490250839558632,0.34175176478651226,0.32966169213898977
EOS-2-24536,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)cn1,HZHOZKMZSBSKSO-UHFFFAOYSA-N,2,1,0.505,87,304,432.875,3.257,5,0.406,0.79,1.0,0.5056456034541841,0.615276540333082,0.3903604961962854,0.3961517373723528,0.4768585943389761
EOS-2-24537,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2)cn1,QAQOLGOTRBFISA-UHFFFAOYSA-N,2,1,0.461,18,773,432.875,3.257,5,0.38,0.78,1.0,0.5130988280446851,0.5068278390788843,0.4522308272222603,0.42467103008703994,0.47420713110821744
EOS-2-24538,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)cn1,ZVPYKBWZRBRIKP-UHFFFAOYSA-N,2,1,0.517,15,482,432.875,3.257,5,0.406,0.75,1.0,0.6080717565622644,0.7209409910218628,0.3716417654718662,0.38056850113083407,0.5203057535467068
EOS-2-24539,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)c[nH]1,QZODWIRELVGLFY-UHFFFAOYSA-N,2,1,0.505,58,578,432.875,3.555,5,0.409,0.68,1.0,0.6965595229936262,0.72554999657323,0.40125762456308683,0.3805770680556507,0.5509860530463985
EOS-2-24540,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)c2)cn1,LKWJCZXBKRXYSW-UHFFFAOYSA-N,2,1,0.55,15,545,432.875,3.257,5,0.38,0.71,1.0,0.5338907545747379,0.557252758549791,0.43403467891165787,0.40532691385100406,0.4826262764717977
EOS-2-24541,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCc4cccnc4Cl)n23)c1,VWJKAHCCIAIHHN-UHFFFAOYSA-N,2,1,0.433,2,36,432.875,3.523,5,0.392,0.72,1.0,0.3680093893495991,0.38937529984236857,0.4591186347748612,0.41511890891645536,0.40790555822082103
EOS-2-24542,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)n1,DCUQAYDLQAFNFK-UHFFFAOYSA-N,2,1,0.575,15,320,432.875,3.257,5,0.406,0.74,1.0,0.7181139058323625,0.7349222123226646,0.3640943047083819,0.3707850729901994,0.5469788739634021
EOS-2-24543,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2)n1,ZWZNXFWWTSKYKK-UHFFFAOYSA-N,2,1,0.59,15,320,432.875,3.257,5,0.406,0.71,1.0,0.7059660064423274,0.7486978274278665,0.3118960318004249,0.3322339113151943,0.5246984442464533
EOS-2-24544,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)ccc1Cl,FEBBWXCLDQNOCI-UHFFFAOYSA-N,2,1,0.472,92,399,432.875,3.523,5,0.419,0.79,1.0,0.40162600233020357,0.6152851072578988,0.4936947433349325,0.4688592282914125,0.49486627030361185
EOS-2-24545,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)c1,DQRCNWGXPUJORE-UHFFFAOYSA-N,2,1,0.527,87,579,432.875,3.257,5,0.406,0.7,1.0,0.6935011308340758,0.757376122267151,0.3376139401000617,0.3386505380028785,0.5317854328010417
EOS-2-24546,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)c1,SXNIJTIAYOLEOH-UHFFFAOYSA-N,2,1,0.505,87,304,432.875,3.257,5,0.406,0.69,1.0,0.6449438009732027,0.7530412583099171,0.34131485162086217,0.35449934891371393,0.523449814954424
EOS-2-24547,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccncc1,DMVNWZMNXZOLPM-UHFFFAOYSA-N,2,1,0.5,95,493,432.875,3.257,5,0.38,0.73,1.0,0.40810259749160444,0.3266739771091769,0.35291446782263036,0.38058563498046744,0.3670691693509698
EOS-2-24548,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)n1,JHFKRAFWALUVLC-UHFFFAOYSA-N,2,1,0.565,15,320,432.875,3.257,5,0.38,0.67,1.0,0.7089644301281612,0.7302104036734973,0.2791618120759372,0.2915153176615722,0.502462990884792
EOS-2-24549,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ncn4)n23)n1,VFRMSISEUCOKJR-UHFFFAOYSA-N,2,1,0.44,44,130,432.875,3.257,5,0.406,0.65,1.0,0.4016345692550202,0.4265386196970735,0.18020526351860736,0.26208793091631827,0.31761659584675483
EOS-2-24550,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,VNIXETOBMZNBPN-UHFFFAOYSA-N,2,1,0.603,15,187,432.875,3.257,5,0.38,0.72,1.0,0.8765506133918168,0.7831282982660545,0.37939483243095057,0.3903262284970187,0.6073499931464601
EOS-2-24551,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cn1,FWBSDJTZAPRGPT-UHFFFAOYSA-N,2,1,0.527,87,468,432.875,3.257,5,0.406,0.72,1.0,0.5363494619971215,0.6289322184908506,0.38669385237475157,0.3805942019052841,0.48314243369200194
EOS-2-24552,Cc1cc(-c2nnc3cncc(OCc4cnnc(-c5nccn5C)c4)n23)ccc1Cl,XINGEFXGYLKGQN-UHFFFAOYSA-N,2,1,0.5,16,659,432.875,3.523,5,0.419,0.68,0.998,0.5596429305736413,0.6289407854156672,0.4230090466726064,0.42174114179973954,0.5083334761154137
EOS-2-24553,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)n1,QLJJTCBRLHKWSY-UHFFFAOYSA-N,2,1,0.495,87,838,432.875,3.257,5,0.406,0.66,1.0,0.48319169350969776,0.5340278253718045,0.3794033993557673,0.377552943595367,0.44354396545815916
EOS-2-24554,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cncc(Cl)c1,UBDANIZXOYYHOO-UHFFFAOYSA-N,2,1,0.483,95,493,432.875,3.257,5,0.406,0.74,1.0,0.4542440545541772,0.37984887944623397,0.3529230347474471,0.3932047152354191,0.3950551709958193
EOS-2-24555,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2Cl)n1,QBCLDBLJYNEHEV-UHFFFAOYSA-N,2,1,0.61,37,619,432.875,3.257,5,0.406,0.7,1.0,0.6602614625454047,0.7397282571448153,0.35293160167226373,0.37417757521759987,0.5317747241450209
EOS-2-24556,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,YVUCUXJWSTYSTN-UHFFFAOYSA-N,2,1,0.453,87,227,432.875,3.257,5,0.38,0.74,1.0,0.5624700157631417,0.497806867246933,0.3867024192995682,0.39033479542183536,0.45932852443286964
EOS-2-24557,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cn1,YIVNINAUVSNNSW-UHFFFAOYSA-N,2,1,0.505,75,329,432.875,3.257,5,0.38,0.78,1.0,0.44461483106024263,0.4835943389760812,0.36410287163319854,0.36134432184223153,0.41341409087793846
EOS-2-24558,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)n(C)n1,KFCPUBWQHXYVTH-UHFFFAOYSA-N,2,1,0.562,4,212,432.875,3.523,5,0.419,0.71,1.0,0.5736669864985265,0.730218970598314,0.32307586868617644,0.3417603317113289,0.4921805393735865
EOS-2-24559,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,NSSBASOGUCWQIO-UHFFFAOYSA-N,2,1,0.57,15,475,432.875,3.257,5,0.406,0.64,1.0,0.7059745733671441,0.6825440339935577,0.3716503323966829,0.39939003495305325,0.5398897436776094
EOS-2-24560,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,KJESSCGFFWWBEG-UHFFFAOYSA-N,2,1,0.371,46,211,432.875,3.697,5,0.377,0.66,1.0,0.3995099719004866,0.3559899938318141,0.452239394147077,0.42174970872455625,0.4073722671509835
EOS-2-24561,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)cn1,QNSQANOJVPWZSF-UHFFFAOYSA-N,2,1,0.524,65,349,432.875,3.257,5,0.38,0.71,1.0,0.5938677952162292,0.6385014735110685,0.5006767870605168,0.47198615584949627,0.5512580529093276
EOS-2-24562,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)cn1,KGTNDCTXVSLPSC-UHFFFAOYSA-N,2,1,0.424,18,840,432.875,3.257,5,0.38,0.75,1.0,0.4288859570968405,0.4486926872729765,0.4048300322116373,0.415127475841272,0.4243840381056816
EOS-2-24563,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,JLYKNMSZPOODGX-UHFFFAOYSA-N,2,1,0.527,65,578,432.875,3.257,5,0.38,0.72,1.0,0.7059831402919607,0.6777208553217737,0.4300938934959907,0.4120262490576383,0.5564560345418408
EOS-2-24564,Cc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cnnn1C,IGLIPNVJJWKYTJ-UHFFFAOYSA-N,2,1,0.512,16,256,432.875,3.523,5,0.419,0.61,1.0,0.4542526214789939,0.45746521828524433,0.5006853539853334,0.4841854567884312,0.47414716263450074
EOS-2-24565,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cccc(Cl)n1,VLXVXVRDJMXYIF-UHFFFAOYSA-N,2,1,0.477,95,493,432.875,3.257,5,0.38,0.76,1.0,0.43789836200397503,0.3510211774381468,0.2641782605715852,0.307227057775341,0.340081214447262
EOS-2-24566,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)[nH]n1,LPYJPYLSYTXVIJ-UHFFFAOYSA-N,2,1,0.5,58,669,432.875,3.555,5,0.409,0.65,1.0,0.6817301761359742,0.7996538962374066,0.4340432458364745,0.41203481598245495,0.5818655335480776
EOS-2-24567,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)n1,HFXZISNERURRKF-UHFFFAOYSA-N,2,1,0.522,58,578,432.875,3.257,5,0.38,0.7,1.0,0.6220015763141663,0.672786306627373,0.39036906312110203,0.3741861421424166,0.5148357720512645
EOS-2-24568,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)n1,HDSQMCPKOPDECJ-UHFFFAOYSA-N,2,1,0.511,58,819,432.875,3.257,5,0.38,0.71,1.0,0.4707011171269961,0.5156432047152354,0.2936998834898225,0.3008018641628401,0.3952115173737235
EOS-2-24569,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccn1,BIRRQXQLJWUWMQ-UHFFFAOYSA-N,2,1,0.542,75,359,432.875,3.257,5,0.38,0.61,1.0,0.6479850592831198,0.5525409499006236,0.3413234185456788,0.33865910492769513,0.47012713316427934
EOS-2-24570,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)c1,IGJZHAFZRFQHMM-UHFFFAOYSA-N,2,1,0.474,58,954,432.875,3.257,5,0.38,0.74,1.0,0.6332499485984511,0.7119457199643616,0.3047340826536906,0.3104739222808581,0.49010091837434033
EOS-2-24571,CCn1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)c1,ZJXRZZCICRSKRP-UHFFFAOYSA-N,2,1,0.426,46,211,432.875,3.697,5,0.377,0.67,1.0,0.4016431361798369,0.33133438420944417,0.43405181276129123,0.39034336234665207,0.3893431738743061
EOS-2-24572,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1,QIDLYNFCBRLVJF-UHFFFAOYSA-N,2,1,0.447,46,211,432.875,3.697,5,0.403,0.61,0.993,0.2783650880679871,0.3121958741690083,0.39404427386745255,0.3903519292714687,0.3437392913439792
EOS-2-24573,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cc2)n1,LJEKRIMJAUNPCR-UHFFFAOYSA-N,2,1,0.556,15,889,432.875,3.257,5,0.38,0.68,1.0,0.7860924542526215,0.7302275375231307,0.38296724007950106,0.3545079158385306,0.563448786923446
EOS-2-24574,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2Cl)cn1,YRIZINQGJRGHLK-UHFFFAOYSA-N,2,1,0.585,37,361,432.875,3.257,5,0.406,0.7,1.0,0.7059917072167775,0.7302361044479474,0.52514392433692,0.5195497224316359,0.6202303646083203
EOS-2-24575,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)n[nH]1,WSPHKQCGVJGZHV-UHFFFAOYSA-N,2,1,0.57,15,320,432.875,3.555,5,0.437,0.64,1.0,0.8726012610513331,0.8376139401000616,0.31190459872524157,0.32262182167089304,0.5861854053868822
EOS-2-24576,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n[nH]1,PHBQKWOFCRRENC-UHFFFAOYSA-N,2,1,0.548,15,438,432.875,3.555,5,0.409,0.68,1.0,0.8133866767185252,0.795284764580906,0.360222054691248,0.3678380508532657,0.5841828867109862
EOS-2-24577,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1,YEMZIOXCGDHYTK-UHFFFAOYSA-N,2,1,0.554,15,475,432.875,3.257,5,0.406,0.62,1.0,0.6634654924268385,0.6678945925570557,0.43010246042080735,0.45616304571311084,0.5544063977794531
EOS-2-24578,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,SADNAZLLOGRDEG-UHFFFAOYSA-N,2,1,0.467,87,227,432.875,3.257,5,0.38,0.71,1.0,0.5654084709752587,0.506836406003701,0.29014460969090533,0.3040230278939072,0.41660312864094307
EOS-2-24579,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccn1,MCMTWADZOZUNEC-UHFFFAOYSA-N,2,1,0.522,75,624,432.875,3.257,5,0.406,0.67,1.0,0.5938763621410459,0.5340363922966213,0.3677438146802824,0.38060276883010075,0.4690648344870126
EOS-2-24580,Cn1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)cn1,KRBCAXAGUZBHFG-UHFFFAOYSA-N,2,1,0.506,75,329,432.875,3.257,5,0.38,0.79,1.0,0.5208518950037695,0.610324857789048,0.4190682612569392,0.4151360427660887,0.4913452642039613
EOS-2-24581,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,AEIUOKCZNSNJJL-UHFFFAOYSA-N,2,1,0.482,15,482,432.875,3.257,5,0.406,0.76,1.0,0.4633935302583784,0.5525495168254403,0.3529401685970804,0.37419470906723323,0.43576948118703307
EOS-2-24582,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,KNSHWQNDITUZJS-UHFFFAOYSA-N,2,1,0.398,92,711,432.875,3.697,5,0.403,0.68,1.0,0.29506202453567265,0.2555170995819341,0.42654718662189023,0.4120433829072716,0.34729242341169214
EOS-2-24583,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cccnc1,BXMXPALBZOMYMV-UHFFFAOYSA-N,2,1,0.467,95,493,432.875,3.257,5,0.38,0.74,1.0,0.43790692892879174,0.39398430539373586,0.33762250702487834,0.3707936399150161,0.3850768453156055
EOS-2-24584,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncn5)n34)c(Cl)c2)n1,OGOFUKNBNVPVOR-UHFFFAOYSA-N,2,1,0.517,37,563,432.875,3.257,5,0.406,0.67,1.0,0.5654170379000754,0.6536306627373039,0.4012661914879035,0.4023284901651703,0.5056605955726132
EOS-2-24585,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n1,VIGWSGRERBHVJY-UHFFFAOYSA-N,2,1,0.495,65,142,432.875,3.257,5,0.406,0.64,1.0,0.5155918031663355,0.5431601672263724,0.4340603796861079,0.43430025358097457,0.48177815091494763
EOS-2-24586,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccn1,UNZYRKTUAXMGIQ-UHFFFAOYSA-N,2,1,0.539,75,624,432.875,3.257,5,0.406,0.65,1.0,0.6276728805428003,0.5525580837502571,0.3641114385580152,0.36458261942293196,0.4772312555685011
EOS-2-24587,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,HPULSBXLFDDFBA-UHFFFAOYSA-N,2,1,0.575,15,438,432.875,3.257,5,0.38,0.68,1.0,0.6053046398464808,0.6484305393735864,0.3566496470426975,0.3613528887670482,0.4929344287574532
EOS-2-24588,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)cc1,XBQYJVUVQWNPDJ-UHFFFAOYSA-N,2,1,0.549,15,361,432.875,3.257,5,0.38,0.68,1.0,0.8804828318826674,0.7443029949969159,0.4265557535467069,0.3961603042971695,0.6118754711808648
EOS-2-24589,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,OYCWEFQXMSSAQK-UHFFFAOYSA-N,2,1,0.444,18,840,432.875,3.257,5,0.38,0.69,1.0,0.4401771640052087,0.3939928723185525,0.4661777808237955,0.4435011308340758,0.4359622369954081
EOS-2-24590,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccn1,OJXOSMIYOAYTDC-UHFFFAOYSA-N,2,1,0.477,75,565,432.875,3.523,5,0.392,0.72,1.0,0.40165170310465353,0.42654718662189023,0.430111027345624,0.3868309231718182,0.4112852100609965
EOS-2-24591,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)cn1,YZQQRAZCXAOFKB-UHFFFAOYSA-N,2,1,0.466,75,329,432.875,3.697,5,0.377,0.64,1.0,0.3105510246042081,0.3653793434308821,0.44495750805290935,0.41514460969090533,0.3840081214447262
EOS-2-24592,Cn1cc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c2)cn1,GKUGIDPGYQFBJC-UHFFFAOYSA-N,2,1,0.54,53,207,432.875,3.257,5,0.406,0.71,1.0,0.4379154958536084,0.4310362552258241,0.4661863477486122,0.4961620176821328,0.45782502912754436
EOS-2-24593,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nc1,JKYMPKHNQHDBDV-UHFFFAOYSA-N,2,1,0.446,18,578,432.875,3.257,5,0.38,0.73,1.0,0.6568860941676375,0.5525666506750737,0.43406894661092454,0.4182458364745391,0.5154418819820438
EOS-2-24594,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,HOXWKMCUIKDTOW-UHFFFAOYSA-N,2,1,0.447,55,823,432.875,3.697,5,0.403,0.68,1.0,0.5819597697210609,0.5203293125899527,0.42301761359742307,0.4087708176273045,0.4835193783839353
EOS-2-24595,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,VRYUBPBTULZZFP-UHFFFAOYSA-N,2,1,0.506,65,349,432.875,3.257,5,0.38,0.74,1.0,0.4857874717291481,0.4929151531766157,0.5113426084572682,0.4808957576588308,0.4927352477554657
EOS-2-24596,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)c(Cl)c1,VSQUDADYGQJFEG-UHFFFAOYSA-N,2,1,0.598,37,393,432.875,3.257,5,0.406,0.72,1.0,0.5290418751285039,0.6198598451099994,0.45224796107189363,0.47491604413679667,0.5190164313617984
EOS-2-24597,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,VEPLLZSAYDLAHP-UHFFFAOYSA-N,2,1,0.575,15,931,432.875,3.257,5,0.38,0.71,1.0,0.6392125282708518,0.5867915153176616,0.3451185662394627,0.36136145569186484,0.4831210163799602
EOS-2-24598,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)c1,NULRWBNJAFTQPL-UHFFFAOYSA-N,2,1,0.522,65,981,432.875,3.257,5,0.38,0.67,1.0,0.7305102460420807,0.7785792611884038,0.40823110136385443,0.39321328216023577,0.5776334726886437
EOS-2-24599,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)[nH]c1C,WPOIATIJQIWATK-UHFFFAOYSA-N,2,1,0.5,4,464,432.875,3.821,5,0.449,0.68,0.98,0.44960934822835996,0.5572613254746076,0.3119131656500583,0.30081043108765676,0.4048985676101706
EOS-2-24600,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn1,UYFMCLIZQRLYSN-UHFFFAOYSA-N,2,1,0.549,75,329,432.875,3.257,5,0.38,0.74,1.0,0.5081557124254678,0.5108799945171681,0.47315982454937977,0.4435096977588925,0.483926307312727
EOS-2-24601,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nn2C)ccn1,VFJTUIYYBLWGAP-UHFFFAOYSA-N,2,1,0.494,95,694,432.875,3.523,5,0.392,0.75,0.999,0.3380679871153451,0.31220444109382495,0.41152080049345485,0.37756151052018366,0.3598386848057022
EOS-2-24602,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,CNFULDDTXYEEDZ-UHFFFAOYSA-N,2,1,0.462,87,349,432.875,3.257,5,0.38,0.76,1.0,0.44018573093002533,0.45309608662874373,0.4154016174354054,0.40877938455212115,0.4293657048865739
EOS-2-24603,Cn1cc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)cn1,UJXSRLLRYDELFT-UHFFFAOYSA-N,2,1,0.489,2,349,432.875,3.257,5,0.38,0.76,1.0,0.4735025015420465,0.5572698923994243,0.4627167431978617,0.462579672400795,0.4890172023850319
EOS-2-24604,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1,XWVNRACIZQYAMY-UHFFFAOYSA-N,2,1,0.575,15,320,432.875,3.257,5,0.406,0.76,1.0,0.7775512302104036,0.6825526009183743,0.3641200054828319,0.38683949009663493,0.5527658316770612
EOS-2-24605,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,VDXRHUGRJBTEKB-UHFFFAOYSA-N,2,1,0.435,18,211,432.875,3.257,5,0.38,0.64,1.0,0.50064251936125,0.4082225344390378,0.43764135425947503,0.42467959701185665,0.4427965012679049
EOS-2-24606,CCn1cncc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)nn3)n12,XQEPWXNRURVTIZ-UHFFFAOYSA-N,2,1,0.418,54,691,432.875,3.697,5,0.403,0.71,1.0,0.4036306627373038,0.44439209101500926,0.3230844356109931,0.3742032759920499,0.386327616338839
EOS-2-24607,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,HOFSPGZFFCHIFC-UHFFFAOYSA-N,2,1,0.566,15,475,432.875,3.257,5,0.38,0.61,1.0,0.69976355287506,0.6777294222465904,0.4484785141525598,0.4532074566513604,0.5697947364813927
EOS-2-24608,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,RMJNXYPXBYDPRB-UHFFFAOYSA-N,2,1,0.533,65,578,432.875,3.257,5,0.38,0.72,1.0,0.7305188129668974,0.7025306695908436,0.337631073949695,0.33224247824001096,0.5257307586868617
EOS-2-24609,Cc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cncn1C,DDFKJUBLVVENEL-UHFFFAOYSA-N,2,1,0.398,46,565,432.875,3.523,5,0.392,0.69,1.0,0.4882119114522651,0.46211705846069495,0.42656432047152354,0.3868480570214516,0.4409353368514838
EOS-2-24610,Cn1cnc(-c2ncccc2-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,WKTHOPBNRJZDAM-UHFFFAOYSA-N,2,1,0.494,65,981,432.875,3.257,5,0.38,0.65,1.0,0.5736755534233432,0.6103334247138648,0.31192173257487493,0.3257144815297101,0.4554112980604483
EOS-2-24611,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)c1,UXYAELABPJJZJA-UHFFFAOYSA-N,2,1,0.542,75,276,432.875,3.257,5,0.38,0.66,1.0,0.6602700294702214,0.6432304160098691,0.4190768281817559,0.40233705708998696,0.5312285826879584
EOS-2-24612,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccccn1,AJVGBGZWFDGPHN-UHFFFAOYSA-N,2,1,0.453,95,477,432.875,3.257,5,0.406,0.69,0.995,0.44019429785484204,0.36538791035569873,0.2004489068603934,0.265060653827702,0.31777294222465907
EOS-2-24613,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,QZINCPWFQWCKBB-UHFFFAOYSA-N,2,1,0.553,15,734,432.875,3.257,5,0.38,0.73,1.0,0.8133952436433418,0.7255585634980467,0.2866407374408882,0.3226303885957097,0.5370562332944966
EOS-2-24614,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)n1C,QCQCHLOOSDGDIV-UHFFFAOYSA-N,2,1,0.582,36,734,432.875,3.523,5,0.419,0.67,1.0,0.5156003700911521,0.5665221712014256,0.25000856692481666,0.2797529298882873,0.4029710095264204
EOS-2-24615,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1,OIXZUZJFCMCNNA-UHFFFAOYSA-N,2,1,0.512,36,734,432.875,3.697,5,0.377,0.73,1.0,0.5624785826879584,0.5108885614419848,0.29754643273250636,0.32572304845452676,0.4241591563292441
EOS-2-24616,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)cn1,WLWDXSJNZJDCCR-UHFFFAOYSA-N,2,1,0.457,92,860,432.875,3.697,5,0.377,0.7,1.0,0.3078096086628744,0.4265557535467069,0.34133198547049554,0.32887567678706053,0.3511432561167843
EOS-2-24617,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,HGIUPGSRRJWHHU-UHFFFAOYSA-N,2,1,0.598,15,734,432.875,3.257,5,0.406,0.73,1.0,0.8638287300390651,0.7660458501816189,0.3194863271879926,0.3483140291960798,0.574418734151189
EOS-2-24618,Cc1nc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)n[nH]1,XZRANLGGMFNLKX-UHFFFAOYSA-N,2,1,0.583,18,159,432.875,3.555,5,0.437,0.72,1.0,0.7181224727571791,0.6536392296621205,0.3303748886299774,0.3708022068398328,0.5182346994722774
EOS-2-24619,Cn1ncc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)c1-c1ccccc1,MEQHXLNPIYHHQT-UHFFFAOYSA-N,2,1,0.482,15,846,432.875,3.257,5,0.406,0.68,0.999,0.397436776094853,0.40362209581248715,0.142510794325269,0.22959358508669728,0.2932908128298266
EOS-2-24620,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)nn1C,IOIZQJUMPXFWPR-UHFFFAOYSA-N,2,1,0.536,16,931,432.875,3.523,5,0.392,0.75,1.0,0.4832002604345144,0.4663833870193955,0.27152011513946955,0.2681618806113358,0.3723164108011788
EOS-2-24621,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nc1,CGVXLUUTDCUKHW-UHFFFAOYSA-N,2,1,0.423,31,954,432.875,3.257,5,0.38,0.72,1.0,0.565425604824892,0.5068449729285176,0.32674251250771025,0.33548934274552805,0.433625608251662
EOS-2-24622,Cn1ncnc1-c1cncc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,JMCWZGHRSXDPFX-UHFFFAOYSA-N,2,1,0.671,84,73,432.875,3.257,5,0.406,0.72,1.0,0.5131073949695018,0.5108971283668015,0.3602306216160647,0.41825440339935577,0.45062238708793095
EOS-2-24623,Cn1nc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1-c1ccc(Cl)cc1,ILIHTJAPDHARJC-UHFFFAOYSA-N,2,1,0.472,95,835,432.875,3.257,5,0.406,0.8,1.0,0.4542611884038106,0.515651771640052,0.2500171338496333,0.33866767185251184,0.38964944143650193
EOS-2-24624,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,KJXSBHVLYILWFB-UHFFFAOYSA-N,2,1,0.495,87,349,432.875,3.257,5,0.406,0.78,1.0,0.4496179151531766,0.48360290590089783,0.4522565279967103,0.4561716126379275,0.4604122404221781
EOS-2-24625,CCn1ccc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)n1,XZMXPTKPHNYJBZ-UHFFFAOYSA-N,2,1,0.44,2,36,432.875,3.697,5,0.403,0.66,1.0,0.32819888972654376,0.3798574463710506,0.41152936741827156,0.40234562401480367,0.3804828318826674
EOS-2-24626,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,PTUJWNQOZBBLMX-UHFFFAOYSA-N,2,1,0.488,20,279,432.875,3.257,5,0.406,0.69,1.0,0.5994791309711466,0.5665307381262422,0.25705914604893426,0.27976149681310397,0.42570762798985673
EOS-2-24627,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nn1,XYSHWIJIRGXVQL-UHFFFAOYSA-N,2,1,0.5,15,561,432.875,3.257,5,0.38,0.77,1.0,0.46595504077856215,0.5665393050510589,0.3119302994996916,0.34499862929202935,0.42235581865533545
EOS-2-24628,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)nn2)cn1,SAMCAGOMDUYBFP-UHFFFAOYSA-N,2,1,0.553,54,44,432.875,3.257,5,0.406,0.74,1.0,0.49311219244739907,0.4978154341717497,0.3829758070043177,0.4310191213761908,0.4512306387499143
EOS-2-24629,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)n1,SXVJCOASMDHGGP-UHFFFAOYSA-N,2,1,0.527,65,981,432.875,3.257,5,0.406,0.66,1.0,0.6136573915427318,0.6630114454115551,0.37165889932149954,0.37421184291686654,0.5056348947981633
EOS-2-24630,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nn1,MIIPHYNAXSRKLN-UHFFFAOYSA-N,2,1,0.554,15,669,432.875,3.257,5,0.38,0.74,1.0,0.5263518607360702,0.5762284970187102,0.404838599136454,0.41515317661572204,0.4806430333767391
EOS-2-24631,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,OINGOEHKPRMFEN-UHFFFAOYSA-N,2,1,0.5,65,184,432.875,3.257,5,0.38,0.63,1.0,0.6108902748269481,0.5572784593242409,0.3940528407922692,0.3903604961962854,0.4881455177849359
EOS-2-24632,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n1,UYBGTVYPJAVYAZ-UHFFFAOYSA-N,2,1,0.512,58,981,432.875,3.257,5,0.38,0.65,1.0,0.622010143238983,0.6630200123363718,0.3755825508875334,0.3613700226166815,0.5054956822698924
EOS-2-24633,Cn1ccnc1-c1ccnc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,JURXYGFGCYWJMQ-UHFFFAOYSA-N,2,1,0.438,18,954,432.875,3.257,5,0.38,0.76,1.0,0.5106658213967514,0.4310448221506408,0.24635905695291618,0.26817044753615243,0.3640600370091152
EOS-2-24634,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnc2Cl)cn1,OKTIVJWHPABHNE-UHFFFAOYSA-N,2,1,0.5,65,349,432.875,3.257,5,0.38,0.67,1.0,0.5938849290658625,0.6432389829346857,0.4698187238708793,0.44990919059694334,0.5392129566170928
EOS-2-24635,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,KSAKLZVUIDOCGJ-UHFFFAOYSA-N,2,1,0.388,46,211,432.875,3.697,5,0.403,0.65,1.0,0.42407134534987323,0.3361746967308615,0.4376499211842917,0.4217582756493729,0.4049135597285998
EOS-2-24636,Cn1nc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1ccc(Cl)cc1,JPPBKDOTUBEXCW-UHFFFAOYSA-N,2,1,0.483,95,835,432.875,3.257,5,0.406,0.77,1.0,0.4402028647796587,0.4621256253855116,0.20045747378521006,0.2797700637379206,0.3456390069220752
EOS-2-24637,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)n1,NKHFFQIWRHXUQF-UHFFFAOYSA-N,2,1,0.797,91,258,432.875,3.257,5,0.406,0.76,1.0,0.8409721746281955,0.8660047289424988,0.3602391885408814,0.4151617435405387,0.6205944589130287
EOS-2-24638,Cn1ncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1-c1ccccn1,XTGLVHPXRUDTEJ-UHFFFAOYSA-N,2,1,0.5,58,954,432.875,3.257,5,0.38,0.69,1.0,0.4931207593722157,0.4531046535535604,0.1770269344116236,0.23535055856349804,0.33965072647522443
EOS-2-24639,Cn1ncc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c1-c1ccccn1,YLJNZQLGGAEREF-UHFFFAOYSA-N,2,1,0.516,58,304,432.875,3.257,5,0.406,0.67,0.997,0.48579603865396476,0.46213419231032826,0.2038499760126105,0.2737389486669865,0.3563797889109725
EOS-2-24640,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cn1,CHDBSFKYTASQHJ-UHFFFAOYSA-N,2,1,0.527,65,468,432.875,3.257,5,0.406,0.76,1.0,0.5736841203481599,0.6385100404358851,0.444966074977726,0.4343088205057912,0.5228672640668905
EOS-2-24641,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)c1,MHNDWWNUEMIOLM-UHFFFAOYSA-N,2,1,0.506,15,921,432.875,3.257,5,0.38,0.68,1.0,0.6304057295593174,0.5815057227057775,0.21105475978342814,0.23839181687341512,0.4153395072304845
EOS-2-24642,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccn1,AEFJCHZMFNCNIS-UHFFFAOYSA-N,2,1,0.5,55,624,432.875,3.697,5,0.377,0.68,1.0,0.4807244191624974,0.40823110136385443,0.43765848810910835,0.4023541909396203,0.43224204989377013
EOS-2-24643,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cccnc1,JGOTXRJOKGYIMI-UHFFFAOYSA-N,2,1,0.5,95,235,432.875,3.257,5,0.406,0.74,1.0,0.41708073469947227,0.4036306627373038,0.2679734082653691,0.3165478719758755,0.35130816941950516
EOS-2-24644,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cccnc1,QFKFGGXKDWJOTK-UHFFFAOYSA-N,2,1,0.463,95,235,432.875,3.257,5,0.38,0.72,1.0,0.39088307861010213,0.3751884723459667,0.23934274552806525,0.2886368309231718,0.3235127818518265
EOS-2-24645,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cn1,OLDZSZROCOEBLV-UHFFFAOYSA-N,2,1,0.512,65,468,432.875,3.257,5,0.38,0.72,1.0,0.5518898636145569,0.6338667671852511,0.44848708107737645,0.42176684257418956,0.5140026386128435
EOS-2-24646,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,GZJQTPIGGADUCR-UHFFFAOYSA-N,2,1,0.43,18,711,432.875,3.257,5,0.406,0.71,1.0,0.47351106846686314,0.4082396682886711,0.44849564800219316,0.44351826468370914,0.44344116236035913
EOS-2-24647,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,QSYMENINSYMDFZ-UHFFFAOYSA-N,2,1,0.462,92,711,432.875,3.697,5,0.403,0.68,1.0,0.230013364402714,0.28663217051607154,0.3755911178123501,0.36784661777808236,0.3150208176273045
EOS-2-24648,Cn1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)c1Cl,NDMKJXRAEPTBJS-UHFFFAOYSA-N,2,1,0.538,75,324,432.875,3.257,5,0.406,0.58,1.0,0.6449523678980194,0.6103419916386814,0.4485042149270098,0.4403142348022754,0.5360282023164965
EOS-2-24649,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cn1,QGWWTJWYLYMUFU-UHFFFAOYSA-N,2,1,0.472,4,464,432.875,3.523,5,0.392,0.78,1.0,0.35419950654513055,0.44870125419779316,0.3267510794325269,0.3040315948187239,0.35842085874854357
EOS-2-24650,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,IDOQEFZXRRZVPV-UHFFFAOYSA-N,2,1,0.554,36,734,432.875,3.697,5,0.403,0.63,1.0,0.562487149612775,0.5525752175998904,0.32675964635734356,0.3545164827633473,0.44908462408333905
EOS-2-24651,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)cn1,OPSJTSFQHHRAEN-UHFFFAOYSA-N,2,1,0.482,15,846,432.875,3.257,5,0.406,0.64,1.0,0.4609776574600781,0.5068535398533343,0.30821225412925773,0.34176889863614557,0.40445308751970394
EOS-2-24652,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cc2)n1,OFUFDQOEDGCEDG-UHFFFAOYSA-N,2,1,0.494,15,889,432.875,3.257,5,0.38,0.75,1.0,0.6788174216983072,0.7164347885682956,0.2641868274964019,0.2797786306627373,0.48480441710643546
EOS-2-24653,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cn1,UCRNGCXMRLZRHW-UHFFFAOYSA-N,2,1,0.482,20,279,432.875,3.257,5,0.406,0.72,1.0,0.4446233979850593,0.5068621067781509,0.36024775546569804,0.3775700774450003,0.42232583441847715
EOS-2-24654,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)n1,ZDMIJVGMJMZTJD-UHFFFAOYSA-N,2,1,0.505,87,304,432.875,3.257,5,0.406,0.66,1.0,0.5494996915907066,0.6536477965869372,0.3194948941128093,0.3354979096703447,0.4645350729901994
EOS-2-24655,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1C,LXHZRUSJUVVAKX-UHFFFAOYSA-N,2,1,0.548,4,32,432.875,3.523,5,0.419,0.71,1.0,0.5763570008909602,0.7660544171064355,0.16418511411143855,0.23243780412583098,0.4347585840586663
EOS-2-24656,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cn1,APPKMAXKJFULPK-UHFFFAOYSA-N,2,1,0.5,87,304,432.875,3.257,5,0.406,0.73,1.0,0.6634740593516552,0.6536563635117538,0.3602563223905147,0.37081077376464944,0.5120493797546433
EOS-2-24657,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cn1,DCVKKAODEHNFPO-UHFFFAOYSA-N,2,1,0.469,58,954,432.875,3.257,5,0.38,0.76,1.0,0.6220187101637996,0.619868412034816,0.32309300253580975,0.3288842437118772,0.47346609211157564
EOS-2-24658,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)n(C)n1,XGQYYABUBBFYEK-UHFFFAOYSA-N,2,1,0.575,4,22,432.875,3.523,5,0.419,0.74,1.0,0.4906620519498321,0.5480690151463231,0.26419539442121853,0.27374751559180316,0.3941684942772942
EOS-2-24659,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccnc5Cl)n34)cn2)cn1,MBGPDCSQZPLDLN-UHFFFAOYSA-N,2,1,0.44,55,468,432.875,3.697,5,0.377,0.7,1.0,0.40166027002947025,0.462142759235145,0.39406140771708587,0.37757864436981703,0.40886077033787954
EOS-2-24660,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)n1,NTGSSRANSWWIQG-UHFFFAOYSA-N,2,1,0.46,87,529,432.875,3.257,5,0.406,0.67,1.0,0.42654718662189023,0.4663919539442122,0.23556473168391473,0.30404016174354054,0.35813600849838945
EOS-2-24661,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cn1,VYYJQSGCBDVDHH-UHFFFAOYSA-N,2,1,0.512,55,283,432.875,3.523,5,0.392,0.8,1.0,0.45200808717702695,0.4531132204783771,0.4115379343430882,0.3645911863477486,0.42031260708656026
EOS-2-24662,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)n1,SDCCWBTWJCKHII-UHFFFAOYSA-N,2,1,0.479,58,954,432.875,3.257,5,0.38,0.67,1.0,0.5208604619285861,0.6241947090672332,0.2866493043657049,0.2915238845863889,0.43080708998697825
EOS-2-24663,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,XDMDBBSTXNUGFZ-UHFFFAOYSA-N,2,1,0.522,87,579,432.875,3.257,5,0.406,0.68,1.0,0.6877355904324584,0.6630285792611884,0.35665821396751424,0.35452504968816395,0.5154868583373312
EOS-2-24664,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)cn1,NNQRDYJESXBIJK-UHFFFAOYSA-N,2,1,0.547,92,329,432.875,3.697,5,0.403,0.63,1.0,0.2922006716469056,0.37986601329586733,0.3829843739291344,0.3708193406894661,0.3564675998903434
EOS-2-24665,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1,DGCLOOCHVFXCEE-UHFFFAOYSA-N,2,1,0.462,72,208,432.875,3.697,5,0.403,0.73,1.0,0.5181447467617024,0.5249468850661366,0.3829929408539511,0.3708279076142828,0.4492281200740182
EOS-2-24666,Cn1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,KZWLBVMDWXVRRO-UHFFFAOYSA-N,2,1,0.44,18,578,432.875,3.257,5,0.38,0.64,1.0,0.45658282502912756,0.40363922966212046,0.39783942156123636,0.3835669248166678,0.41040710026728805
EOS-2-24667,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1C,FLCZEUXJSUFARL-UHFFFAOYSA-N,2,1,0.608,16,256,432.875,3.523,5,0.419,0.73,1.0,0.6664724830374888,0.7164433554931122,0.28665787129052156,0.3417774655609622,0.5028377938455212
EOS-2-24668,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccn1,ZXMMREXOIVFUTH-UHFFFAOYSA-N,2,1,0.566,92,43,432.875,3.523,5,0.419,0.69,1.0,0.3307946679459941,0.4221780549653896,0.36775238160509904,0.3417860324857789,0.3656277842505654
EOS-2-24669,Cn1ccc(-c2cc(Cl)nc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)n1,GOEPNWPKHBLELQ-UHFFFAOYSA-N,2,1,0.46,18,493,432.875,3.257,5,0.38,0.72,1.0,0.4240799122746899,0.3893838667671852,0.37166746624631625,0.3645997532725653,0.38743274964018914
EOS-2-24670,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,DOOTXWMRINXRSC-UHFFFAOYSA-N,2,1,0.472,55,879,432.875,3.523,5,0.419,0.75,1.0,0.46340209718319514,0.47498457953533,0.4082396682886711,0.3775872112946337,0.4310533890754575
EOS-2-24671,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)n1C,FIVHYBOUIKWCGX-UHFFFAOYSA-N,2,1,0.483,72,208,432.875,3.523,5,0.419,0.72,1.0,0.559651497498458,0.5665478719758755,0.34512713316427934,0.31348947981632513,0.44620399561373447
EOS-2-24672,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)cn1,WQRJCWWVYZXZOZ-UHFFFAOYSA-N,2,1,0.506,92,329,432.875,3.697,5,0.377,0.72,1.0,0.26511205537660204,0.34106641080117883,0.35294873552189704,0.3386762387773285,0.3244508601192516
EOS-2-24673,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cn1,IPEPODKJXJBRRT-UHFFFAOYSA-N,2,1,0.474,87,510,432.875,3.257,5,0.38,0.72,1.0,0.644960934822836,0.6432475498595024,0.2393513124528819,0.2561253512439175,0.4459212870947844
EOS-2-24674,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,ITMRVYIICLBODG-UHFFFAOYSA-N,2,1,0.527,87,510,432.875,3.257,5,0.406,0.65,1.0,0.715004112123912,0.6923959975327256,0.26798197519018574,0.2828455897471044,0.48955691864848194
EOS-2-24675,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)n1,DDDKHJRKDDFAHJ-UHFFFAOYSA-N,2,1,0.506,72,482,432.875,3.257,5,0.406,0.7,1.0,0.6509663491193202,0.7613511753820849,0.30822082105407445,0.32263895552052635,0.5107943252690015
EOS-2-24676,Cn1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1-c1ccccc1,SWOIGCHFWWVBAN-UHFFFAOYSA-N,2,1,0.482,72,482,432.875,3.257,5,0.406,0.66,1.0,0.45426975532862723,0.4836114728257145,0.1738828730039065,0.25613391816873415,0.3419745048317456
EOS-2-24677,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)nn1,GYSPFAJCWQZNJS-UHFFFAOYSA-N,2,1,0.566,15,475,432.875,3.257,5,0.38,0.72,1.0,0.6568946610924542,0.6924045644575423,0.4340775135357412,0.4372729764923583,0.5551624288945239
EOS-2-24678,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)ccn2)c1,UAVBVBBJOPTHTA-UHFFFAOYSA-N,2,1,0.524,75,276,432.875,3.257,5,0.38,0.6,1.0,0.7060002741415942,0.6536649304365705,0.3677609485299157,0.37083647453909946,0.5245656569117949
EOS-2-24679,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cn1,OHTZQGUQQNKQHX-UHFFFAOYSA-N,2,1,0.549,75,329,432.875,3.257,5,0.38,0.75,1.0,0.5156089370159688,0.5203378795147694,0.45912720169967786,0.43102768830100746,0.4815254266328559
EOS-2-24680,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c1,ONLMNVSMQCKMPS-UHFFFAOYSA-N,2,1,0.467,2,905,432.875,3.697,5,0.377,0.67,0.999,0.4609862243848948,0.40824823521348774,0.5006939209101501,0.45618017956274415,0.45652714001781913
EOS-2-24681,Cc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)n(C)n4)n23)n1,XDCAWKAOQVHZHP-UHFFFAOYSA-N,2,1,0.429,95,965,432.875,3.523,5,0.419,0.8,1.0,0.3931447467617024,0.45312178740319375,0.25002570077445,0.2886453978479885,0.3462344081968337
EOS-2-24682,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc2)n[nH]1,NBCRUEOSCUTIMI-UHFFFAOYSA-N,2,1,0.406,58,954,432.875,3.555,5,0.409,0.7,0.884,0.5763655678157769,0.6385186073607018,0.31193886642450824,0.322647522445343,0.46236764101158245
EOS-2-24683,Cc1nc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4ncn(C)n4)cc3)n12,PWEIMUVZKRYZES-UHFFFAOYSA-N,2,1,0.531,36,320,432.875,3.523,5,0.392,0.67,1.0,0.6419453772873689,0.5868000822424783,0.3716760331711329,0.32265608937015966,0.48076939551778486
EOS-2-24684,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cn1,URLGVEVBHNRIEF-UHFFFAOYSA-N,2,1,0.456,55,468,432.875,3.697,5,0.403,0.65,1.0,0.39315331368651907,0.4444006579398259,0.4230261805222397,0.4053354807758207,0.41647890823110134
EOS-2-24685,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)cn1,GDGRAJGRMYTDLN-UHFFFAOYSA-N,2,1,0.494,92,860,432.875,3.697,5,0.403,0.64,1.0,0.33807655404016174,0.4707011171269961,0.37168460009594956,0.3613785895414982,0.3854602152011514
EOS-2-24686,Cc1nc(-c2cnccn2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C,WKROXSJZSJPYFR-UHFFFAOYSA-N,2,1,0.556,7,540,432.875,3.523,5,0.419,0.69,1.0,0.6725464327325064,0.7660629840312522,0.1834178603248578,0.24979439380439997,0.4679554177232541
EOS-2-24687,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1,KYQLOFFMZFGDQV-UHFFFAOYSA-N,2,1,0.506,15,482,432.875,3.257,5,0.406,0.7,1.0,0.7775597971352204,0.730244671372764,0.345135700089096,0.36460832019738193,0.5543871221986156
EOS-2-24688,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,RETIHJXKSXTGNB-UHFFFAOYSA-N,2,1,0.444,18,711,432.875,3.257,5,0.38,0.71,1.0,0.44021143170447535,0.3988331848399698,0.45226509492152694,0.42800356384072374,0.429828318826674
EOS-2-24689,Cn1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)n1,OKXUTTCXGSQNOT-UHFFFAOYSA-N,2,1,0.608,72,482,432.875,3.257,5,0.406,0.67,1.0,0.7831454321156878,0.9002552943595367,0.27569220752518675,0.3355064765951614,0.5736498526488931
EOS-2-24690,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1ccccn1,SWLZPUMNTDQCJW-UHFFFAOYSA-N,2,1,0.457,95,493,432.875,3.257,5,0.38,0.72,1.0,0.4784541840860805,0.38438078267425124,0.24636762387773284,0.28865396477280514,0.34946413885271743
EOS-2-24691,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)cn1,QEKHYJUGNYFAND-UHFFFAOYSA-N,2,1,0.506,92,860,432.875,3.697,5,0.403,0.68,1.0,0.28108080323487084,0.4531303543280104,0.37941196628058393,0.37422040984168325,0.37196088342128714
EOS-2-24692,Cc1cc(-c2nnc3cncc(OCc4ccnc(-c5cnn(C)c5)n4)n23)ccc1Cl,PKGOCKVTRFHBKT-UHFFFAOYSA-N,2,1,0.494,92,677,432.875,3.523,5,0.419,0.71,1.0,0.4194880405729559,0.6289493523404839,0.41541018436022203,0.3993986018778699,0.46581154478788295
EOS-2-24693,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)n1,DLWYRDZKIDTPCS-UHFFFAOYSA-N,2,1,0.528,15,561,432.875,3.257,5,0.38,0.69,1.0,0.5624957165375917,0.6152936741827154,0.2570677129737509,0.279787197587554,0.428661075320403
EOS-2-24694,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)n1C,MNYOIEXOYJMWGL-UHFFFAOYSA-N,2,1,0.628,36,250,432.875,3.523,5,0.419,0.72,1.0,0.7424611061613323,0.7831368651908711,0.23210369405798095,0.29769207045438967,0.5138484339661435
EOS-2-24695,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)c1,VZIBVDPKAGLMPI-UHFFFAOYSA-N,2,1,0.522,75,304,432.875,3.257,5,0.406,0.68,1.0,0.5994876978959632,0.6242032759920499,0.3490336508806799,0.36138715646631486,0.48352794530875204
EOS-2-24696,Cn1cnc(-c2ncccc2-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,PTYGEBRDRYCGHZ-UHFFFAOYSA-N,2,1,0.478,65,981,432.875,3.257,5,0.406,0.71,0.906,0.5819683366458775,0.6153022411075321,0.3082293879788911,0.3417945994105956,0.46182364128572406
EOS-2-24697,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,MOSCUOHAAZXUEE-UHFFFAOYSA-N,2,1,0.522,65,468,432.875,3.257,5,0.38,0.74,1.0,0.5518984305393736,0.6432561167843192,0.46272531012267837,0.4343173874306079,0.5230493112192447
EOS-2-24698,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)n1,GCYDTGQEAKOGMI-UHFFFAOYSA-N,2,1,0.527,87,579,432.875,3.257,5,0.406,0.62,1.0,0.5850352957302447,0.6679031594818724,0.3157511479679254,0.31950346103762595,0.47204826605441713
EOS-2-24699,Cn1ccnc1-c1ccnc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,DUBTUGZTWVAORR-UHFFFAOYSA-N,2,1,0.471,18,578,432.875,3.257,5,0.38,0.65,1.0,0.5654341717497087,0.457473785210061,0.3413405523953122,0.34832259612089644,0.42814277636899456
EOS-2-24700,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)nn1,HLSFGOZOUBMTMM-UHFFFAOYSA-N,2,1,0.534,15,475,432.875,3.257,5,0.38,0.74,1.0,0.5763741347405935,0.6727948735521897,0.3267682132821602,0.3515780275512302,0.4818788122815434
EOS-2-24701,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)c1,VOOVZOCNJJEIIG-UHFFFAOYSA-N,2,1,0.542,75,276,432.875,3.257,5,0.38,0.69,1.0,0.656903228017271,0.6484391062984032,0.40484716606127064,0.38685662394626824,0.5242615310808033
EOS-2-24702,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,IJWYFFISOMHOLA-UHFFFAOYSA-N,2,1,0.595,15,320,432.875,3.257,5,0.38,0.76,1.0,0.8265540401617435,0.7302532382975807,0.36776951545473235,0.3708450414639161,0.5738554588444931
EOS-2-24703,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,HPSWPLGESDAWAF-UHFFFAOYSA-N,2,1,0.545,15,931,432.875,3.257,5,0.406,0.68,1.0,0.5938934959906792,0.5762370639435268,0.29015317661572204,0.3195120279624426,0.4449489411280927
EOS-2-24704,Cn1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1-c1ccccn1,MYIYOJCSDBIZLT-UHFFFAOYSA-N,2,1,0.518,58,981,432.875,3.257,5,0.38,0.75,1.0,0.5819769035706943,0.47070968405181274,0.25371804537043385,0.2977006373792064,0.4010263175930368
EOS-2-24705,CCn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccccc3Cl)n12,YIDCBSQLIJAPIJ-UHFFFAOYSA-N,2,1,0.494,4,446,432.875,3.697,5,0.403,0.7,1.0,0.267690699746419,0.45748235213487765,0.05237817832910698,0.13018298951408402,0.2269335549311219
EOS-2-24706,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,UXRPYFSTFHVVTB-UHFFFAOYSA-N,2,1,0.533,65,981,432.875,3.257,5,0.406,0.72,1.0,0.7181310396819958,0.6581025974916044,0.4115465012679049,0.41205194983208826,0.5499580220683984
EOS-2-24707,CCn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,HMEVQNGOCYZAAY-UHFFFAOYSA-N,2,1,0.529,92,399,432.875,3.697,5,0.403,0.74,1.0,0.4542783222534439,0.6924131313823589,0.35295730244671375,0.3835754917414845,0.4708060619560003
EOS-2-24708,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccn1,YDLYURUMIYMWCO-UHFFFAOYSA-N,2,1,0.528,7,624,432.875,3.697,5,0.403,0.63,1.0,0.38187067370296757,0.4310533890754575,0.38300150777876774,0.37085360838873277,0.39169479473648144
EOS-2-24709,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)c1,AZTIWKZDDUPBLV-UHFFFAOYSA-N,2,1,0.484,65,184,432.875,3.257,5,0.38,0.68,1.0,0.5994962648207799,0.5572870262490577,0.3451442670139127,0.35781474881776437,0.4649355767253786
EOS-2-24710,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c1,XMWVSJFDPBAQCG-UHFFFAOYSA-N,2,1,0.539,15,931,432.875,3.257,5,0.406,0.69,1.0,0.5441367966554725,0.5815142896305942,0.29370845041463917,0.3355150435199781,0.438718645055171
EOS-2-24711,Cn1cc(-c2ncccc2-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,NIZXPCYBWLZDQZ-UHFFFAOYSA-N,2,1,0.484,65,619,432.875,3.257,5,0.406,0.73,1.0,0.49067061887464875,0.520346446439586,0.3566667808923309,0.3806113357549174,0.4370737954903708
EOS-2-24712,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccn1,KBBMYDRSXZLINJ-UHFFFAOYSA-N,2,1,0.522,75,359,432.875,3.257,5,0.406,0.68,1.0,0.6220272770886163,0.5572955931738743,0.2757007744500034,0.3008189980124734,0.4389606606812418
EOS-2-24713,Cn1nnnc1-c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,IPIWUUFIYKCTFF-UHFFFAOYSA-N,2,1,0.786,91,402,432.875,3.257,5,0.406,0.82,1.0,0.9503889383866767,0.9607292166403948,0.35667534781714755,0.4435268316085258,0.6778300836131862
EOS-2-24714,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)c2)n1,RIDFKRKHNZEFRC-UHFFFAOYSA-N,2,1,0.477,15,846,432.875,3.257,5,0.406,0.7,1.0,0.5006510862860668,0.6103505585634981,0.31194743334932495,0.31952059488725926,0.4356174182715372
EOS-2-24715,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)n1,JUDIDNZOWQNMSQ-UHFFFAOYSA-N,2,1,0.595,15,320,432.875,3.257,5,0.38,0.7,1.0,0.7513878418203002,0.7702265094921527,0.3830100747035844,0.3708621753135494,0.5688716503323966
EOS-2-24716,CCn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,WKJFNKHTRQSXCC-UHFFFAOYSA-N,2,1,0.536,4,32,432.875,3.697,5,0.403,0.73,1.0,0.5156175039407854,0.682561167843191,0.06580254951682545,0.14874751559180316,0.3531821842231513
EOS-2-24717,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)cn1,WLYCEHZSCPHAHV-UHFFFAOYSA-N,2,1,0.444,55,468,432.875,3.697,5,0.377,0.68,1.0,0.3658333904461654,0.45313892125282706,0.43408608046055785,0.40534404770063737,0.41460060996504694
EOS-2-24718,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cn1,OFEPIERHUYTXFK-UHFFFAOYSA-N,2,1,0.478,7,823,432.875,3.697,5,0.403,0.63,1.0,0.4659636077033788,0.5022445343019669,0.37559968473716676,0.3613957233911315,0.426300887533411
EOS-2-24719,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)nn1C,UVXWOPFQTRJVSN-UHFFFAOYSA-N,2,1,0.429,2,142,432.875,3.523,5,0.392,0.58,1.0,0.4104242341169214,0.44440922486464257,0.4557946679459941,0.402362757864437,0.4282477211979988
EOS-2-24720,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cn1,CWHRBBDLZIXGCX-UHFFFAOYSA-N,2,1,0.449,55,565,432.875,3.523,5,0.392,0.75,1.0,0.4496264820779933,0.49292372010143237,0.41908539510657256,0.37759577821945034,0.4348078438763621
EOS-2-24721,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)n(C)n1,NEAMJBHDUGPNMC-UHFFFAOYSA-N,2,1,0.55,16,320,432.875,3.523,5,0.419,0.79,1.0,0.5939020629154959,0.5249554519909533,0.30823795490370776,0.3165564389006922,0.43591297717771227
EOS-2-24722,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3nc(-c4cccnc4)nn3C)n12,AQHQHGFOYPQZOF-UHFFFAOYSA-N,2,1,0.494,16,446,432.875,3.523,5,0.419,0.8,0.995,0.44463196490987594,0.6484476732232198,0.1738914399287232,0.23840038379823178,0.3763428654650127
EOS-2-24723,Cc1cc(-c2ncnn2C)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,HDSVOJHOOLPILK-UHFFFAOYSA-N,2,1,0.483,16,256,432.875,3.523,5,0.419,0.72,1.0,0.5030926598588171,0.4929322870262491,0.4190939620313892,0.405352614625454,0.45511788088547733
EOS-2-24724,Cc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ncnn1C,WXJGJSYKCZVBCA-UHFFFAOYSA-N,2,1,0.506,16,256,432.875,3.523,5,0.419,0.67,1.0,0.5031012267836338,0.49294085395106574,0.41910252895620587,0.40878795147693786,0.4559831402919608
EOS-2-24725,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1C,LFVLJEDSMTXESY-UHFFFAOYSA-N,2,1,0.461,36,250,432.875,3.523,5,0.419,0.76,1.0,0.5312607086560208,0.5665564389006922,0.2321122609827976,0.27979576451237065,0.40243129326297034
EOS-2-24726,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccn1,UVJJOFZWIRMVEJ-UHFFFAOYSA-N,2,1,0.536,75,359,432.875,3.257,5,0.38,0.6,1.0,0.6220358440134329,0.5294530875197039,0.437667055033925,0.4217754094990062,0.502732849016517
EOS-2-24727,Cn1nc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1ccc(Cl)cc1,XDGSLFBULGITBX-UHFFFAOYSA-N,2,1,0.536,95,835,432.875,3.257,5,0.406,0.76,1.0,0.5441453635802892,0.5068706737029676,0.34134911932012885,0.4120605167569049,0.4511064183400726
EOS-2-24728,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccn1,YXCQZQRCMQTACT-UHFFFAOYSA-N,2,1,0.536,75,624,432.875,3.257,5,0.38,0.64,1.0,0.630414296484134,0.5340449592214379,0.4265728873963402,0.40536118155027073,0.4990983311630457
EOS-2-24729,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,QZHIANFIEKWDGA-UHFFFAOYSA-N,2,1,0.511,15,561,432.875,3.257,5,0.38,0.71,1.0,0.581985470495511,0.557304160098691,0.25707627989856763,0.29153245151120555,0.42197459050099373
EOS-2-24730,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)c1,MNKULNAFEMDEEV-UHFFFAOYSA-N,2,1,0.527,65,981,432.875,3.257,5,0.406,0.68,1.0,0.7513964087451168,0.7743729011034199,0.3940699746419025,0.3932218490850524,0.578265283393873
EOS-2-24731,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,WBIFZADZLJQWMJ-UHFFFAOYSA-N,2,1,0.387,18,711,432.875,3.697,5,0.377,0.68,1.0,0.2651206223014187,0.27100609965046946,0.44144506887807555,0.4120690836817216,0.3474102186279213
EOS-2-24732,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ncn1,OTUUJELADCVSTP-UHFFFAOYSA-N,2,1,0.511,44,481,432.875,3.257,5,0.406,0.7,1.0,0.5625042834624083,0.4444177917894593,0.3978479884860531,0.4310362552258241,0.45895157974093626
EOS-2-24733,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nn1,FSORRIHCXDXWQO-UHFFFAOYSA-N,2,1,0.548,15,438,432.875,3.257,5,0.38,0.73,1.0,0.5156260708656021,0.5762456308683435,0.41541875128503875,0.4280121307655404,0.48382564594613114
EOS-2-24734,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,CRQHWUKNUVSSLN-UHFFFAOYSA-N,2,1,0.433,2,36,432.875,3.697,5,0.377,0.67,1.0,0.297632101980673,0.35102974436296347,0.49711294633678293,0.46258823932561166,0.40209075800150773
EOS-2-24735,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)c1,KZQOBTWXVAIGDQ-UHFFFAOYSA-N,2,1,0.435,55,823,432.875,3.697,5,0.377,0.69,1.0,0.5441539305051059,0.5573127270235076,0.4376756219587417,0.39616887122198613,0.48382778767733536
EOS-2-24736,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)c1Cl,YQOCBYYTNMDRHV-UHFFFAOYSA-N,2,1,0.435,2,36,432.875,3.523,5,0.419,0.7,1.0,0.3908916455349188,0.4221866218902063,0.5654855732986087,0.5029812898362004,0.4703862826399836
EOS-2-24737,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,HQDMCVOHZQDJEZ-UHFFFAOYSA-N,2,1,0.76,91,402,432.875,3.257,5,0.406,0.77,1.0,0.7392656432047152,0.8342557055719279,0.3413576862449455,0.4343259543554246,0.5873012473442533
EOS-2-24738,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)cn1,MYVRIXUJZNIWEQ-UHFFFAOYSA-N,2,1,0.5,55,329,432.875,3.697,5,0.377,0.73,1.0,0.33080323487081076,0.32668254403399355,0.43768418888355837,0.40237132478925364,0.3743853231444041
EOS-2-24739,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cn1,HUQGVNJKYXTKKX-UHFFFAOYSA-N,2,1,0.667,84,73,432.875,3.257,5,0.406,0.79,1.0,0.760006168185868,0.7573846891919677,0.31950346103762595,0.3678551847028991,0.5511873757795902
EOS-2-24740,CCn1nc(-c2ccncc2)nc1COc1cncc2nnc(-c3ccccc3Cl)n12,OJOXCIRJKJAVBW-UHFFFAOYSA-N,2,1,0.518,4,446,432.875,3.697,5,0.403,0.69,1.0,0.26769926667123567,0.42656432047152354,0.09058666301144541,0.17808066616407375,0.24073272907956955
EOS-2-24741,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)c1,YNCRTZKFLCDXHR-UHFFFAOYSA-N,2,1,0.512,65,981,432.875,3.257,5,0.38,0.67,1.0,0.7060088410664108,0.7660715509560688,0.3978565554108697,0.38061990267973406,0.5626392125282709
EOS-2-24742,Cc1cn(C)c(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)n1,LEDAAKBNWCNVER-UHFFFAOYSA-N,2,1,0.518,55,390,432.875,3.523,5,0.392,0.6,1.0,0.4735196353916798,0.6289579192653005,0.3343328078952779,0.30723562470015764,0.4360114968131039
EOS-2-24743,Cn1cc(-c2nnc3cncc(OCCc4ccccn4)n23)c(-c2ccc(Cl)cn2)n1,QUGFCGQYZZLLAK-UHFFFAOYSA-N,2,1,0.551,87,579,432.875,3.257,5,0.406,0.72,1.0,0.4758327050921801,0.4399544239599753,0.1968250976629429,0.2561424850935508,0.3421886779521623
EOS-2-24744,Cc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nncn1C,OFPVKUXEVRDCCY-UHFFFAOYSA-N,2,1,0.506,16,256,432.875,3.523,5,0.419,0.7,1.0,0.5850438626550614,0.5156603385648687,0.43011959427044066,0.42802069769035705,0.48971112329518196
EOS-2-24745,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cn1,WBKWICCAROZMPR-UHFFFAOYSA-N,2,1,0.462,18,367,432.875,3.257,5,0.406,0.77,1.0,0.4265557535467069,0.3940014392433692,0.39037763004591874,0.3868651908710849,0.39945000342676995
EOS-2-24746,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,NZBKGTDVRKQVQX-UHFFFAOYSA-N,2,1,0.427,18,367,432.875,3.257,5,0.38,0.73,1.0,0.3750342676992667,0.3653964772805154,0.3566839147419642,0.357823315742581,0.3637344938660818
EOS-2-24747,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)n(C)n1,UAMXPEHMDZXAIL-UHFFFAOYSA-N,2,1,0.523,92,422,432.875,3.523,5,0.419,0.54,1.0,0.3474659036392297,0.4531474881776438,0.40824823521348774,0.38358405866630113,0.39811142142416556
EOS-2-24748,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,BFAVSQSTTUBBIV-UHFFFAOYSA-N,2,1,0.447,18,367,432.875,3.257,5,0.406,0.73,1.0,0.41482763347268864,0.3843893495990679,0.39407854156671923,0.4023798917140703,0.39891885408813654
EOS-2-24749,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,UQTAMLYREAJJNX-UHFFFAOYSA-N,2,1,0.489,87,142,432.875,3.257,5,0.38,0.63,1.0,0.5056541703790007,0.5340535261462546,0.45227366184634366,0.43433452128024125,0.48157896991296
EOS-2-24750,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,DBQLLJAPSTWJGU-UHFFFAOYSA-N,2,1,0.568,15,931,432.875,3.257,5,0.38,0.71,1.0,0.619328695771366,0.5961294633678295,0.36026488931533135,0.3742289767664999,0.4874880063052567
EOS-2-24751,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1Cl,MKYPGOAHEOPCSH-UHFFFAOYSA-N,2,1,0.511,26,795,432.875,3.257,5,0.406,0.66,1.0,0.6935096977588925,0.658111164416421,0.3376396408745117,0.36461688712219864,0.5134693475430059
EOS-2-24752,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cc2Cl)cn1,NDKQKBBDVRLZMS-UHFFFAOYSA-N,2,1,0.536,37,795,432.875,3.257,5,0.406,0.72,1.0,0.6479936262079364,0.6924216983071757,0.36027345624014806,0.38062846960455077,0.5203293125899529
EOS-2-24753,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5cn(C)nn5)n4)n23)ccc1Cl,XPGRCGYBYWJUHW-UHFFFAOYSA-N,2,1,0.495,4,268,432.875,3.523,5,0.419,0.77,1.0,0.3518521691453636,0.5619817010485916,0.3978651223356864,0.402388458638887,0.42852186279213217
EOS-2-24754,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,BDEJQIIFZJJERS-UHFFFAOYSA-N,2,1,0.797,91,402,432.875,3.257,5,0.406,0.82,1.0,0.8337331231581112,0.8854088136522514,0.3602820231649647,0.43728154341717496,0.6291763758481256
EOS-2-24755,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cn1,NVQZSFODJPMEEU-UHFFFAOYSA-N,2,1,0.646,84,73,432.875,3.257,5,0.406,0.79,1.0,0.6392210951956686,0.6876070865602083,0.3010417380577068,0.3614042903159482,0.497318552532383
EOS-2-24756,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cn1,XETUNTYENMSGPL-UHFFFAOYSA-N,2,1,0.516,65,981,432.875,3.257,5,0.38,0.68,1.0,0.6817387430607909,0.6581197313412378,0.4154273182098554,0.39617743814680284,0.5378658076896717
EOS-2-24757,Cc1nc(-c2nnc3cncc(OC(C)c4cccc(Cl)c4)n23)ccc1-c1cnco1,KQAXXKKOXZQCOJ-UHFFFAOYSA-N,2,1,0.468,44,159,432.871,4.943,5,0.388,0.61,0.986,0.6220444109382496,0.5961380302926461,0.7654118977451854,0.7211722979919128,0.6761916592419985
EOS-2-24758,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2)o1,RJNOIATYFLDNDU-UHFFFAOYSA-N,2,1,0.583,15,922,432.871,4.425,5,0.392,0.72,1.0,0.9220838187924063,0.8801572887396341,0.5586663011445412,0.5396048934274553,0.7251280755260092
EOS-2-24759,COc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1nccn1C,SKXZEGFICASNFN-UHFFFAOYSA-N,2,1,0.625,13,209,432.871,4.646,5,0.402,0.78,1.0,0.5569614831060242,0.5619902679734082,0.6927301076005757,0.6386899458570352,0.6125929511342608
EOS-2-24760,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1,IRVXTPZFIOQKHX-UHFFFAOYSA-N,2,1,0.465,97,348,432.871,4.691,5,0.397,0.8,1.0,0.6247515591803167,0.6153108080323487,0.5387225001713385,0.5130902611198684,0.5729687821259681
EOS-2-24761,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,LDVQGFIFVZSWJX-UHFFFAOYSA-N,2,1,0.595,4,744,432.871,4.691,5,0.397,0.76,1.0,0.7514049756699335,0.8411349461997122,0.5420721677746556,0.5195582893564527,0.6635425947501885
EOS-2-24762,Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)o2)n1,OYSRLFWYLFSAOP-UHFFFAOYSA-N,2,1,0.435,58,56,432.871,4.425,5,0.366,0.71,1.0,0.6361969707353848,0.44442635871427594,0.5080015077787677,0.48090432458364746,0.517382290453019
EOS-2-24763,COc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)ccc1Cl,RUMBWUKSJRUSFH-UHFFFAOYSA-N,2,1,0.541,97,67,432.871,4.218,5,0.399,0.76,1.0,0.7570762798985676,0.7349307792474813,0.8410664108011788,0.7706205880337195,0.7759235144952369
EOS-2-24764,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,YMPSLIRBCOULNK-UHFFFAOYSA-N,2,1,0.636,97,214,432.871,4.691,5,0.397,0.79,1.0,0.8480227537523131,0.8233243095058598,0.5080100747035844,0.4991261736686999,0.6696208279076142
EOS-2-24765,Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)cn2)n1,OTVMCDXRAQURGN-UHFFFAOYSA-N,2,1,0.484,58,954,432.871,4.425,5,0.392,0.71,0.998,0.7600147351106846,0.7872318552532382,0.5041720923857173,0.47788020012336374,0.632324720718251
EOS-2-24766,Cc1noc(C)c1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,WAGYMAJBVNVKLB-UHFFFAOYSA-N,2,1,0.56,4,92,432.871,4.691,5,0.397,0.77,1.0,0.7570848468233843,0.8342642724967446,0.4230347474470564,0.4343430882050579,0.6121817387430609
EOS-2-24767,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)no1,YDJLALIPWFTSBQ-UHFFFAOYSA-N,2,1,0.797,91,660,432.871,4.425,5,0.392,0.83,1.0,0.870433829072716,0.9051555753546707,0.5351672263724213,0.5463299294085395,0.7142716400520869
EOS-2-24768,Cc1noc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)n1,UGWXZLBROJQHFC-UHFFFAOYSA-N,2,1,0.554,43,521,432.871,4.691,5,0.397,0.83,1.0,0.780275512302104,0.7530498252347337,0.6333356178466177,0.6027945308751971,0.6923638715646631
EOS-2-24769,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)ccc1-c1cnn(C)c1,DQMYUAFHQBQPQR-UHFFFAOYSA-N,2,1,0.632,13,209,432.871,4.646,5,0.402,0.8,1.0,0.4981067096155164,0.6007641696936468,0.8087862380919745,0.7425639092591323,0.6625552566650674
EOS-2-24770,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)no1,YNHOBWPQDNPGPD-UHFFFAOYSA-N,2,1,0.76,91,660,432.871,4.425,5,0.392,0.79,1.0,0.8434137482009458,0.844570283051196,0.514957850729902,0.539613460352272,0.685638835583579
EOS-2-24771,COc1cc(Cl)cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)c1,JABNPUHDYGWTRN-UHFFFAOYSA-N,2,1,0.61,4,61,432.871,4.218,5,0.399,0.71,1.0,0.4565913919539442,0.5384740593516552,0.7468902062915496,0.6878812281543417,0.6074592214378727
EOS-2-24772,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)n(C)c1=O,YUGHROQCSWAUOT-UHFFFAOYSA-N,2,1,0.613,43,15,432.871,3.941,5,0.429,0.85,1.0,0.742469673086149,0.787240422178055,0.572339113151943,0.6182064286203824,0.6800639092591324
EOS-2-24773,OCc1ccc(-c2nnc3cncc(OCc4ccnn4-c4ccccc4Cl)n23)cc1,GFATZDLMXAMFNG-UHFFFAOYSA-N,2,1,0.511,43,230,432.871,3.702,5,0.44,0.8,1.0,0.5569700500308409,0.5914604893427455,0.7080734699472278,0.7211808649167295,0.6444212185593859
EOS-2-24774,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1,GLAAMDVOYQTFRP-UHFFFAOYSA-N,2,1,0.506,97,91,432.871,4.691,5,0.372,0.73,1.0,0.6053132067712974,0.6825697347680076,0.5975944075114796,0.5496024946885066,0.6087699609348228
EOS-2-24775,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)o1,BHJOMEPBADAPPC-UHFFFAOYSA-N,2,1,0.522,11,848,432.871,4.425,5,0.366,0.75,1.0,0.7485093550818998,0.7164519224179289,0.5007024878349667,0.4841940237132479,0.6124644472620108
EOS-2-24776,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)o1,XDKUOZLTKJAADD-UHFFFAOYSA-N,2,1,0.731,91,660,432.871,4.425,5,0.392,0.8,1.0,0.9094904393119047,0.9172263724213556,0.5351757932972381,0.5563018298951409,0.7295486087314099
EOS-2-24777,OCc1ccc(-c2nnc3cncc(OCc4ccnn4-c4cccc(Cl)c4)n23)cc1,ZKHAULCQLNWDAY-UHFFFAOYSA-N,2,1,0.505,43,230,432.871,3.702,5,0.44,0.75,1.0,0.5710283736549928,0.5868086491672949,0.7343310945103145,0.7398910287163319,0.6580147865122336
EOS-2-24778,CS(=O)(=O)c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,GTWMUULHBYDARU-UHFFFAOYSA-N,2,1,0.776,48,17,432.864,3.566,4,0.479,0.77,1.0,0.9671629771777123,0.9614231375505449,0.8087948050167911,0.8490507847303133,0.8966079261188404
EOS-2-24779,N#Cc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnsc5)nc4Cl)n23)nc1,PDTJMHKZTFMYNG-UHFFFAOYSA-N,2,1,0.38,55,412,432.856,4.022,5,0.391,0.67,1.0,0.6024946885066137,0.677737989171407,0.5723476800767596,0.5969004866013295,0.6123702110890274
EOS-2-24780,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4ccc(F)nc4)nc3)n12,IODCBNOPZJFUCN-UHFFFAOYSA-N,2,1,0.386,96,46,432.846,4.716,5,0.382,0.85,1.0,0.5312692755808375,0.6581282982660545,0.8754540470152834,0.8690545541772325,0.7334765437598518
EOS-2-24781,Fc1cncc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)c1,AZCVAVBTYWLUML-UHFFFAOYSA-N,2,1,0.494,97,91,432.846,4.62,5,0.377,0.75,1.0,0.8616013295867315,0.8193749571653759,0.8924936604756357,0.9032023164964704,0.8691680659310534
EOS-2-24782,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)nc4)n23)cc1,OHADKHGQHSFLBW-UHFFFAOYSA-N,2,1,0.636,97,232,432.846,4.62,5,0.377,0.82,1.0,0.9733054622712631,0.9508686861764101,0.8779298882873003,0.8847834281406346,0.921721866218902
EOS-2-24783,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,ZRWDVLHNYZVCHK-UHFFFAOYSA-N,2,1,0.524,24,910,432.846,4.62,5,0.403,0.8,1.0,0.8952350764169693,0.9051641422794874,0.8540281680487972,0.8641457062572819,0.8796432732506339
EOS-2-24784,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)c1,OTPXAZCOHACHHV-UHFFFAOYSA-N,2,1,0.494,97,560,432.846,4.62,5,0.403,0.82,1.0,0.585052429579878,0.7164604893427455,0.8410749777259955,0.8805513672812008,0.755784815982455
EOS-2-24785,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cc1,JPRIOEAKGLPGBY-UHFFFAOYSA-N,2,1,0.549,97,137,432.846,4.62,5,0.403,0.71,1.0,0.6817473099856076,0.8307432663970941,0.8714447262010828,0.8958347611541361,0.8199425159344801
EOS-2-24786,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,HLMSHZXBMMYVBT-UHFFFAOYSA-N,2,1,0.61,97,744,432.846,4.62,5,0.377,0.77,1.0,0.8915170310465356,0.9638989788225618,0.8806456034541841,0.8889383866767185,0.90625
EOS-2-24787,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c1,AGJNHSSROZNSCL-UHFFFAOYSA-N,2,1,0.623,97,71,432.846,4.62,5,0.403,0.79,1.0,0.8843293811253512,0.9639075457473785,0.8779384552121171,0.8958433280789527,0.9055046775409499
EOS-2-24788,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)cn1,ZPNQNPLOSIULLY-UHFFFAOYSA-N,2,1,0.568,1,22,432.846,4.62,5,0.377,0.76,1.0,0.8337416900829279,0.8908231101363855,0.8741690082927832,0.8818963744774175,0.8701575457473785
EOS-2-24789,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)ccc1Cl,ZYQLDKZZYRVPTD-UHFFFAOYSA-N,2,1,0.736,43,433,432.846,4.62,5,0.403,0.78,1.0,0.9724487697895964,0.9670858748543623,0.9061493386334042,0.9101757932972381,0.9389649441436503
EOS-2-24790,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1,DDHPSAXPQZHWJW-UHFFFAOYSA-N,2,1,0.636,43,613,432.846,4.62,5,0.403,0.83,1.0,0.9655609622369954,0.9508772531012268,0.8630063052566651,0.8805599342060174,0.9150011137002262
EOS-2-24791,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1Cl,MEJMVHGJROOJHD-UHFFFAOYSA-N,2,1,0.736,43,433,432.846,4.62,5,0.403,0.78,1.0,0.9720889589472963,0.9664690562675622,0.9061579055582208,0.9101843602220547,0.9387250702487835
EOS-2-24792,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccc4)n23)cn1,UWZGTRJNCDJFJQ-UHFFFAOYSA-N,2,1,0.518,1,992,432.846,4.62,5,0.377,0.69,1.0,0.9260160372832568,0.9072973065588377,0.7815605510246042,0.8158710849153588,0.8576862449455143
EOS-2-24793,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4cncnc4)c3)n12,GSHXSTTVSQGYHB-UHFFFAOYSA-N,2,1,0.536,97,521,432.846,4.62,5,0.403,0.77,1.0,0.8638372969638819,0.8747429922555,0.9166780892330889,0.9252021794256734,0.8951151394695361
EOS-2-24794,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccncc1,MYGVJNZMNOXHJG-UHFFFAOYSA-N,2,1,0.575,97,436,432.846,4.62,5,0.403,0.76,1.0,0.8726098279761497,0.9632478925364951,0.8295695976972106,0.857514906449181,0.8807355561647592
EOS-2-24795,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4cccnc4)cn3)n12,VEXYLQMBBVNWFK-UHFFFAOYSA-N,2,1,0.649,97,671,432.846,4.62,5,0.403,0.75,1.0,0.7060174079912275,0.8342728394215613,0.8426684257418957,0.867341169213899,0.8125749605921458
EOS-2-24796,Fc1cccnc1-c1nnc2cncc(OCc3ccc(-c4ccccc4Cl)nc3)n12,ULDNQIBSGZPFKH-UHFFFAOYSA-N,2,1,0.443,59,616,432.846,4.62,5,0.403,0.84,1.0,0.7831539990405044,0.7397368240696319,0.7745442395997533,0.829715235419094,0.781787574532246
EOS-2-24797,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccccn1,HDTLUWAYCXCQRD-UHFFFAOYSA-N,2,1,0.605,34,461,432.846,4.62,5,0.403,0.79,1.0,0.9015746007813036,0.9685936536220958,0.7581642793502844,0.8069614831060242,0.858823504214927
EOS-2-24798,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)nc1,JYTOPYIURHPRRG-UHFFFAOYSA-N,2,1,0.512,97,560,432.846,4.62,5,0.403,0.81,1.0,0.6220529778630662,0.7302618052223974,0.837888081694195,0.8737149612774998,0.7659794565142897
EOS-2-24799,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)cc1,XQTKNZVVAORJLX-UHFFFAOYSA-N,2,1,0.542,97,801,432.846,4.62,5,0.403,0.77,1.0,0.6664810499623055,0.857283599479131,0.8458981563977794,0.877732849016517,0.8118489137139332
EOS-2-24800,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)nc1,ZBFFWTWBJBIYRZ-UHFFFAOYSA-N,2,1,0.568,1,22,432.846,4.62,5,0.377,0.77,1.0,0.8313600849838941,0.8854173805770681,0.8727725995476664,0.8805685011308341,0.8675296415598657
EOS-2-24801,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(Cl)n5)n4)n23)cc1,NCIJAPOSDKVXBK-UHFFFAOYSA-N,2,1,0.568,1,268,432.846,4.62,5,0.377,0.82,1.0,0.8616098965115482,0.922889109725173,0.776874443149887,0.8136865190871085,0.8437649921184291
EOS-2-24802,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4cccnc4)cn3)n12,LUELJCVMDOBWTD-UHFFFAOYSA-N,2,1,0.653,97,71,432.846,4.62,5,0.403,0.74,1.0,0.8337502570077445,0.945454389692276,0.8687118771845658,0.8833184839969844,0.8828087519703927
EOS-2-24803,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)n1,RQCRPZJFHOXDRG-UHFFFAOYSA-N,2,1,0.543,1,31,432.846,4.62,5,0.377,0.77,1.0,0.7972637242135563,0.8606161332328147,0.8583801658556645,0.8657477211979988,0.8455019361250087
EOS-2-24804,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)c1,LTOZMRODOQVINS-UHFFFAOYSA-N,2,1,0.58,1,744,432.846,4.62,5,0.377,0.78,1.0,0.7887996024946885,0.8691573572750325,0.8754626139401,0.8862826399835515,0.8549255534233432
EOS-2-24805,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)cn1,KAASIPHXWSVLHB-UHFFFAOYSA-N,2,1,0.543,1,31,432.846,4.62,5,0.377,0.8,1.0,0.7944537728736892,0.8606247001576314,0.8583887327804811,0.8673497361387157,0.8452042354876294
EOS-2-24806,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)ccc1Cl,VFLLJMVITRPLJL-UHFFFAOYSA-N,2,1,0.676,59,294,432.846,4.62,5,0.403,0.83,1.0,0.9366047563566582,0.9297426495785073,0.8643427455280652,0.8706223014186828,0.9003281132204783
EOS-2-24807,COc1nc(-c2nnc3cncc(-c4cncc(Cl)c4)n23)ccc1-c1cccc(F)c1,ABFKSFZPEANARQ-UHFFFAOYSA-N,2,1,0.318,96,46,432.846,4.716,5,0.409,0.77,0.996,0.49312932629703243,0.5914690562675622,0.7963813309574396,0.8275135357412103,0.6771233123158111
EOS-2-24808,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1Cl,WFOFWJXNZBQBPB-UHFFFAOYSA-N,2,1,0.676,59,294,432.846,4.62,5,0.403,0.84,1.0,0.9355938592282914,0.9297512165033239,0.8643513124528819,0.8721129463367829,0.9004523336303201
EOS-2-24809,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,GSCMSMTUTDHILJ-UHFFFAOYSA-N,2,1,0.62,97,232,432.846,4.62,5,0.377,0.79,1.0,0.9661435131245288,0.9752587211294633,0.8442704406826126,0.8657562881228155,0.9128572407648551
EOS-2-24810,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)ccn1,GTGQHCRNICRNEP-UHFFFAOYSA-N,2,1,0.549,97,801,432.846,4.62,5,0.377,0.79,1.0,0.8952436433417861,0.9297597834281406,0.8792577616338839,0.8915341648961689,0.8989488383249948
EOS-2-24811,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,KBHYDXNXXHDAMS-UHFFFAOYSA-N,2,1,0.636,97,232,432.846,4.62,5,0.377,0.84,1.0,0.9737509423617299,0.9686022205469125,0.8792663285587006,0.8847919950654513,0.9266028716331985
EOS-2-24812,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,BHKUEKSCNALFND-UHFFFAOYSA-N,2,1,0.518,24,109,432.846,4.62,5,0.403,0.77,1.0,0.8985590432458365,0.9073058734836543,0.8510040435885134,0.8673583030635323,0.8810568158453841
EOS-2-24813,Fc1cnccc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)ccn3)n12,PKXOXYXGGAEKJB-UHFFFAOYSA-N,2,1,0.494,97,560,432.846,4.62,5,0.403,0.8,1.0,0.8083150572270578,0.7952933315057227,0.8806541703790007,0.9032108834212871,0.846868360633267
EOS-2-24814,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)cn1,BQIAVDQDBPDANH-UHFFFAOYSA-N,2,1,0.55,97,992,432.846,4.62,5,0.377,0.8,1.0,0.8265626070865603,0.7872489891028717,0.8912428894524022,0.8915427318209855,0.8491493043657049
EOS-2-24815,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cccc(-c4ccnnc4)c3)n12,UWMYHXGYUDNKTI-UHFFFAOYSA-N,2,1,0.531,43,962,432.846,4.62,5,0.403,0.74,1.0,0.7944623397985059,0.8691659241998492,0.9091306284696046,0.9223065588376397,0.8737663628263997
EOS-2-24816,Fc1cccnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,FDVFMEXNLNFBLC-UHFFFAOYSA-N,2,1,0.6,97,232,432.846,4.62,5,0.403,0.76,1.0,0.9619200191899115,0.9730827222260298,0.8600250154204647,0.8819049414022343,0.9192331745596601
EOS-2-24817,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,BTAOBSTUWBZOBY-UHFFFAOYSA-N,2,1,0.58,97,744,432.846,4.62,5,0.377,0.8,1.0,0.8765591803166335,0.9614317044753615,0.882067712973751,0.8915512987458022,0.902902474127887
EOS-2-24818,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c1,DTAPCJDORKNAHO-UHFFFAOYSA-N,2,1,0.5,97,153,432.846,4.62,5,0.377,0.83,1.0,0.7424782400109656,0.7443115619217325,0.872781166472483,0.8915598656706188,0.81278270851895
EOS-2-24819,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)ccc1Cl,HHJHQZXIISAMKC-UHFFFAOYSA-N,2,1,0.768,43,96,432.846,4.62,5,0.403,0.76,1.0,0.9532674251250771,0.9623397985059283,0.9325011993694743,0.9338890411897746,0.9454993660475636
EOS-2-24820,Fc1cnc(-c2ccncc2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,CJHZUXFETYSTLX-UHFFFAOYSA-N,2,1,0.645,97,232,432.846,4.62,5,0.403,0.78,1.0,0.9637619080254952,0.9743249263244466,0.8492649578507299,0.8737235282023165,0.915268830100747
EOS-2-24821,Fc1ccnc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)c1,MEDMCMYTJZRNSD-UHFFFAOYSA-N,2,1,0.542,97,137,432.846,4.62,5,0.403,0.73,1.0,0.6509749160441368,0.8078267425125077,0.8741775752175999,0.9010520183674868,0.8085078130354328
EOS-2-24822,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccncn4)cc3)n12,OEDQMPKPIGXEFE-UHFFFAOYSA-N,2,1,0.582,43,951,432.846,4.62,5,0.403,0.81,1.0,0.9606521143170448,0.9713864711123296,0.8994928380508532,0.9045044890686039,0.9340089781372078
EOS-2-24823,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)nc1,YJNJDWSEQXGZDJ-UHFFFAOYSA-N,2,1,0.506,97,666,432.846,4.62,5,0.377,0.73,1.0,0.8952522102666027,0.8271194571996436,0.870074018230416,0.8777414159413337,0.867546775409499
EOS-2-24824,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ccncc1,QOFYIFKWNBKYIO-UHFFFAOYSA-N,2,1,0.595,97,71,432.846,4.62,5,0.403,0.71,0.999,0.7916095538345556,0.8981392639298198,0.8843036803509012,0.8985419093962032,0.8681486018778699
EOS-2-24825,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)ccc1Cl,XNGKOHBWCNPQIU-UHFFFAOYSA-N,2,1,0.588,97,89,432.846,4.62,5,0.403,0.82,1.0,0.9511856623946269,0.962348365430745,0.890009252278802,0.8902234253992187,0.9234416763758482
EOS-2-24826,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ccnnc4)cc3)n12,ZCCUHLIXLJWEGM-UHFFFAOYSA-N,2,1,0.571,43,178,432.846,4.62,5,0.403,0.75,1.0,0.9032794188198204,0.9401000616818587,0.914767664998972,0.92521074635049,0.9208394729627852
EOS-2-24827,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1,CIAWEKLHXQBOCE-UHFFFAOYSA-N,2,1,0.5,97,560,432.846,4.62,5,0.377,0.87,1.0,0.7861010211774382,0.7916523884586388,0.8727897333972997,0.8942584469878693,0.8362003975053115
EOS-2-24828,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)cc1,JJOOFGLAVPDGBB-UHFFFAOYSA-N,2,1,0.512,1,801,432.846,4.62,5,0.377,0.84,1.0,0.6997721197998766,0.8541995065451305,0.8239582619422932,0.8540967034473306,0.8080066479336578
EOS-2-24829,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2)cn1,SSFVIQRPEGRWQA-UHFFFAOYSA-N,2,1,0.518,13,145,432.846,5.142,5,0.391,0.77,1.0,0.8028836268932904,0.8801658556644507,0.8700825851552326,0.8657648550476321,0.8547242306901515
EOS-2-24830,Cc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccncc1,LGQXJMUVSHDJOJ-UHFFFAOYSA-N,2,1,0.427,13,110,432.846,5.142,5,0.391,0.67,1.0,0.6788259886231238,0.7119542868891783,0.8442790076074292,0.8541052703721472,0.7722911383729696
EOS-2-24831,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)n1,MXFVXCXPXAMDPK-UHFFFAOYSA-N,2,1,0.585,1,436,432.846,4.62,5,0.377,0.56,1.0,0.8823161537934343,0.9632564594613118,0.8363974367760949,0.8557329860873141,0.8844257590295388
EOS-2-24832,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)n1,UYCYIARKVYTCNR-UHFFFAOYSA-N,2,1,0.512,1,801,432.846,4.62,5,0.377,0.79,1.0,0.7089729970529779,0.8826245630868343,0.8255859776574601,0.8541138372969639,0.8178243437735591
EOS-2-24833,Fc1cccnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,DYDKICXHHHGELQ-UHFFFAOYSA-N,2,1,0.62,34,850,432.846,4.62,5,0.403,0.78,1.0,0.8704423959975327,0.9670944417791789,0.827599204989377,0.8575234733739977,0.8806648790350217
EOS-2-24834,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4cccnn4)c3)n12,OFAOIPPRQIREAV-UHFFFAOYSA-N,2,1,0.547,43,433,432.846,4.62,5,0.403,0.8,1.0,0.9015831677061202,0.9686107874717291,0.8779470221369338,0.8971626345007196,0.9113259029538757
EOS-2-24835,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)ccn1,SSXXPRKCZLWDMR-UHFFFAOYSA-N,2,1,0.5,97,560,432.846,4.62,5,0.377,0.79,1.0,0.7861095881022548,0.7996624631622233,0.8754711808649167,0.8942670139126859,0.8388775615105202
EOS-2-24836,Fc1cc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,CSLAKSPSUATPJN-UHFFFAOYSA-N,2,1,0.5,97,16,432.846,4.62,5,0.403,0.75,1.0,0.7600233020355014,0.7872575560276883,0.8727983003221164,0.8902319923240354,0.8275777876773354
EOS-2-24837,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,OTWBLUXEENQTBM-UHFFFAOYSA-N,2,1,0.568,43,433,432.846,4.62,5,0.403,0.78,1.0,0.9549551093139607,0.9518453156055102,0.897385374545953,0.9057381262422041,0.927480981426907
EOS-2-24838,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nc1,UHLITZLUHOKTJL-UHFFFAOYSA-N,2,1,0.608,97,232,432.846,4.62,5,0.403,0.74,1.0,0.9681995750805291,0.9725687067370297,0.8767219518881503,0.8929819751901857,0.9276180522239738
EOS-2-24839,COc1cc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)ccc1Cl,PSNYDUKLTKHYAR-UHFFFAOYSA-N,2,1,0.373,96,680,432.846,4.716,5,0.382,0.81,1.0,0.5389538071413885,0.6924302652319924,0.8983791378246865,0.8889469536015352,0.7546775409499007
EOS-2-24840,Fc1cccc(-c2ncccc2-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,DFFNMPRGJLRELM-UHFFFAOYSA-N,2,1,0.489,97,89,432.846,4.62,5,0.403,0.75,1.0,0.8289442121855939,0.8271280241244603,0.8182526900143924,0.8608645740524982,0.8337973750942362
EOS-2-24841,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)n1,DEWUBGHYNKBQBZ-UHFFFAOYSA-N,2,1,0.512,97,137,432.846,4.62,5,0.377,0.74,1.0,0.660278596395038,0.7953018984305393,0.8554931121924474,0.881913508327051,0.7982467788362689
EOS-2-24842,Fc1ncccc1-c1ccc(COc2cncc3nnc(-c4ccccc4Cl)n23)nc1,ZOJJLEIQKMSXQA-UHFFFAOYSA-N,2,1,0.593,1,850,432.846,4.62,5,0.377,0.77,1.0,0.7150126790487287,0.827136591049277,0.8442875745322459,0.8641542731820986,0.8126477794530875
EOS-2-24843,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)n1,GRXZUGUZGYSNGU-UHFFFAOYSA-N,2,1,0.477,1,560,432.846,4.62,5,0.377,0.81,1.0,0.6193372626961826,0.7164690562675622,0.8201031457747927,0.8575320402988144,0.753360376259338
EOS-2-24844,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,PUBJQJNWNJOGFV-UHFFFAOYSA-N,2,1,0.506,24,332,432.846,4.62,5,0.403,0.81,1.0,0.8879531903228017,0.9002638612843533,0.8329878006990611,0.8557415530121307,0.8692366013295867
EOS-2-24845,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)cc1,WJSWGPLPSLDZBY-UHFFFAOYSA-N,2,1,0.575,97,801,432.846,4.62,5,0.377,0.81,1.0,0.882324720718251,0.8958861627030361,0.8741861421424165,0.8862912069083682,0.884672058118018
EOS-2-24846,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)c1,MCFHWXVYOCCTJV-UHFFFAOYSA-N,2,1,0.556,97,801,432.846,4.62,5,0.403,0.81,1.0,0.8823332876430676,0.9190853951065725,0.8714532931258995,0.8915684325954355,0.8911101021177438
EOS-2-24847,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)cn1,LNQUCFVIFZYFRE-UHFFFAOYSA-N,2,1,0.575,97,801,432.846,4.62,5,0.377,0.83,1.0,0.884337948050168,0.915410184360222,0.8754797477897334,0.8862997738331848,0.890381913508327
EOS-2-24848,Fc1cccc(-c2nnc3cncc(OCc4nnccc4-c4ccccc4Cl)n23)c1,JRPSSHWIAPPVAY-UHFFFAOYSA-N,2,1,0.561,57,372,432.846,4.62,5,0.403,0.74,1.0,0.6695737098211226,0.8775957782194503,0.8201117126996094,0.8791121239120006,0.8115983311630457
EOS-2-24849,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cn4)n23)ccc1Cl,MLMYVRXEJJWHHJ-UHFFFAOYSA-N,2,1,0.676,97,71,432.846,4.62,5,0.403,0.77,1.0,0.8765677472414503,0.9550750462613941,0.8889126859022686,0.8958518950037695,0.9041018436022206
EOS-2-24850,Fc1cccc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,MUOVEBAGCSADCT-UHFFFAOYSA-N,2,1,0.608,57,929,432.846,4.62,5,0.403,0.81,1.0,0.8915255979713522,0.9720289904735796,0.7899390034953053,0.839721403604962,0.8733037488862998
EOS-2-24851,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)c1,ARQJHVILXVRKEJ-UHFFFAOYSA-N,2,1,0.518,97,992,432.846,4.62,5,0.377,0.84,1.0,0.8681121924473991,0.8691744911246659,0.8658676581454321,0.8805770680556507,0.8709328524432869
EOS-2-24852,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cc1,UBCAMICFKNUXIL-UHFFFAOYSA-N,2,1,0.477,1,560,432.846,4.62,5,0.377,0.83,1.0,0.6220615447878829,0.7119628538139949,0.8182612569392091,0.8592625591117813,0.7528870536632171
EOS-2-24853,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5ccccc5)n4)n23)ccc1Cl,CLPCRIJISJUGON-UHFFFAOYSA-N,2,1,0.58,1,700,432.846,4.62,5,0.403,0.75,1.0,0.9166695223082723,0.9656123637858954,0.7860239188540882,0.8196833664587759,0.8719972928517579
EOS-2-24854,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)nc2)cn1,IHPMBMJNBUYPTB-UHFFFAOYSA-N,2,1,0.524,97,959,432.846,4.62,5,0.377,0.83,1.0,0.8434223151257625,0.8342814063463779,0.8741947090672332,0.890240559248852,0.8605347474470564
EOS-2-24855,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)nc2)cn1,IECADEYBPDITRK-UHFFFAOYSA-N,2,1,0.556,97,959,432.846,4.62,5,0.377,0.84,1.0,0.8785981084230005,0.8376225070248784,0.8806627373038174,0.8942755808375026,0.8727897333972997
EOS-2-24856,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)nn1,IFFCMWBEXVGZHP-UHFFFAOYSA-N,2,1,0.694,43,613,432.846,4.62,5,0.403,0.8,1.0,0.9759440751147967,0.9832259612089644,0.872806867246933,0.8889555205263519,0.9302331060242616
EOS-2-24857,Fc1cccnc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)ccn3)n12,DDPYSONATBTTJL-UHFFFAOYSA-N,2,1,0.477,97,560,432.846,4.62,5,0.403,0.84,1.0,0.6509834829689535,0.7397453909944486,0.8110307723939415,0.8608731409773148,0.7656581968336647
EOS-2-24858,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)cc1,VQRVXEOKBRKISO-UHFFFAOYSA-N,2,1,0.592,57,23,432.846,4.62,5,0.403,0.81,1.0,0.8503101226783634,0.9416592419984923,0.8345469810156946,0.8737320951271331,0.8750621102049209
EOS-2-24859,Fc1cc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)ccc1Cl,HGMYBECQCUUAMY-UHFFFAOYSA-N,2,1,0.595,59,153,432.846,4.62,5,0.403,0.83,1.0,0.8238811596189431,0.787266122952505,0.8925022274004524,0.9032194503461037,0.851717240079501
EOS-2-24860,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cc(Cl)ncn5)cc4)n23)c1,VLZACWPJOQBRKJ-UHFFFAOYSA-N,2,1,0.612,1,709,432.846,4.62,5,0.377,0.8,1.0,0.9784113494619971,0.9344887259269412,0.8867195531492016,0.8942841477623192,0.9234759440751147
EOS-2-24861,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)ccc1Cl,UDTIQJAPZCQEFZ-UHFFFAOYSA-N,2,1,0.618,59,529,432.846,4.62,5,0.403,0.81,1.0,0.8985676101706531,0.8542080734699472,0.8912514563772188,0.9010605852923035,0.8862719313275307
EOS-2-24862,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4cccnc4)nc3)n12,DRISUBUIMWPOHN-UHFFFAOYSA-N,2,1,0.506,97,671,432.846,4.62,5,0.403,0.81,1.0,0.8591854567884313,0.8542166403947639,0.8442961414570626,0.8624751559180317,0.8550433486395723
EOS-2-24863,Fc1ccc(Cl)c(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)c1,FTXBGMKWFVOMKD-UHFFFAOYSA-N,2,1,0.455,97,153,432.846,4.62,5,0.403,0.82,1.0,0.7305273798917141,0.7530583921595504,0.880671304228634,0.9021143170447536,0.816592848331163
EOS-2-24864,Fc1ccccc1-c1nnc2cncc(OCc3cccc(-c4ccc(Cl)nn4)c3)n12,WFMHJVDJKNIZAX-UHFFFAOYSA-N,2,1,0.536,43,613,432.846,4.62,5,0.403,0.77,1.0,0.85031868960318,0.9002724282091701,0.8378966486190117,0.8657734219724488,0.8635652971009526
EOS-2-24865,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1,YJAIKDQYXOYHAF-UHFFFAOYSA-N,2,1,0.628,97,232,432.846,4.62,5,0.403,0.83,1.0,0.9728085806318963,0.9692961414570626,0.8767305188129669,0.8902491261736687,0.9272710917688987
EOS-2-24866,Fc1ncccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,KHMYSZNXKTVQLH-UHFFFAOYSA-N,2,1,0.62,97,232,432.846,4.62,5,0.377,0.82,1.0,0.9643787266122953,0.9686193543965458,0.8630148721814818,0.8706308683434995,0.9166609553834556
EOS-2-24867,Cc1cncc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)n1,WXUYNAQADISHPR-UHFFFAOYSA-N,2,1,0.483,13,145,432.846,5.142,5,0.391,0.78,1.0,0.7570934137482009,0.7702350764169693,0.855501679117264,0.8624837228428484,0.8113284730313207
EOS-2-24868,Fc1ccc(COc2cncc3nnc(-c4cccnc4-c4ccc(Cl)cc4)n23)nc1,VVSLUWLWKRIVPC-UHFFFAOYSA-N,2,1,0.593,34,850,432.846,4.62,5,0.403,0.7,0.998,0.7212922349393461,0.8660132958673155,0.7920293331505722,0.8397299705297786,0.8047662086217531
EOS-2-24869,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)cn1,JELDFHLEIQLTJW-UHFFFAOYSA-N,2,1,0.43,96,680,432.846,4.716,5,0.409,0.78,1.0,0.5596600644232747,0.8342899732711946,0.8643598793776985,0.857540607223631,0.7789626310739497
EOS-2-24870,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nc1,QWAONFORCUIYBH-UHFFFAOYSA-N,2,1,0.671,59,232,432.846,4.62,5,0.403,0.8,1.0,0.9793537111918306,0.9768864368446303,0.8492735247755465,0.867366869988349,0.9182201357000891
EOS-2-24871,Fc1ccccc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)cnn3)n12,AFMMELRZJBTCEG-UHFFFAOYSA-N,2,1,0.5,57,709,432.846,4.62,5,0.403,0.74,1.0,0.7888081694195052,0.837631073949695,0.8714618600507162,0.9123860598999384,0.8525717908299638
EOS-2-24872,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)c2)nn1,NTCZIHAWCUAKIE-UHFFFAOYSA-N,2,1,0.625,43,613,432.846,4.62,5,0.403,0.8,1.0,0.8985761770954698,0.9172349393461723,0.8630234391062984,0.8819220752518676,0.8901891576999521
EOS-2-24873,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nc2)c1,WUAAROJKHOUHQM-UHFFFAOYSA-N,2,1,0.467,1,31,432.846,4.62,5,0.377,0.9,1.0,0.6332585155232677,0.730270372147214,0.8066102391885409,0.8506870673702968,0.7552065485573298
EOS-2-24874,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)nc1,JDHNPCBJSRZIDK-UHFFFAOYSA-N,2,1,0.524,97,666,432.846,4.62,5,0.403,0.73,1.0,0.8503272565279967,0.8039716263450072,0.8630320060311151,0.8791206908368172,0.849112894935234
EOS-2-24875,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,RZEKWRWKZXPQSL-UHFFFAOYSA-N,2,1,0.582,97,178,432.846,4.62,5,0.403,0.8,1.0,0.9572510451648276,0.9454629566170927,0.9040076074292372,0.9045130559934206,0.9278086663011446
EOS-2-24876,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)nn1,NCAGPXCGKUAPBZ-UHFFFAOYSA-N,2,1,0.518,34,15,432.846,5.142,5,0.391,0.84,1.0,0.8265711740113769,0.9539613460352272,0.8673326022890823,0.8762764717976835,0.8810353985333425
EOS-2-24877,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncc(Cl)c5)n4)n23)cc1,DWLSBYNBIPERNF-UHFFFAOYSA-N,2,1,0.56,34,436,432.846,4.62,5,0.403,0.8,1.0,0.8786066753478171,0.9312932629703242,0.8313001165101775,0.8608817079021315,0.8755204406826126
EOS-2-24878,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4ccccc4)nn3)n12,QZUWIEUVSCPEIB-UHFFFAOYSA-N,2,1,0.512,57,671,432.846,4.62,5,0.403,0.77,1.0,0.7150212459735453,0.8542252073195805,0.7419385237475156,0.8158796518401754,0.7817661572202041
EOS-2-24879,Fc1cncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)c1,NQSMOAQUUTZPEP-UHFFFAOYSA-N,2,1,0.62,97,232,432.846,4.62,5,0.403,0.84,1.0,0.9752330203550134,0.9763467205811802,0.8820762798985676,0.8971712014255363,0.9327068055650743
EOS-2-24880,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)ccc1Cl,ATQVCPHQDDGNND-UHFFFAOYSA-N,2,1,0.58,1,700,432.846,4.62,5,0.403,0.77,1.0,0.9235316290864232,0.9656209307107121,0.8239668288671098,0.8541224042217805,0.8918104482215063
EOS-2-24881,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)c2)nn1,JATGGQBYJPSIPU-UHFFFAOYSA-N,2,1,0.53,43,613,432.846,4.62,5,0.403,0.71,1.0,0.8804913988074841,0.9209444177917895,0.8569409224864643,0.8805856349804674,0.8847405935165513
EOS-2-24882,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4ccccc4)cn3)n12,FIXDAGLFKZMBBI-UHFFFAOYSA-N,2,1,0.573,1,700,432.846,4.62,5,0.403,0.71,1.0,0.8503358234528133,0.9577564937290111,0.792037900075389,0.8397385374545953,0.8599671886779521
EOS-2-24883,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)nn2)cc1,GKHWMRIETPVZSZ-UHFFFAOYSA-N,2,1,0.587,19,691,432.846,4.62,5,0.403,0.88,0.998,0.8999725858405867,0.8747515591803167,0.8410835446508121,0.8902576930984853,0.8765163456925502
EOS-2-24884,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnc1-c1ccccn1,KCUPZWYLVSRYAL-UHFFFAOYSA-N,2,1,0.628,97,232,432.846,4.62,5,0.403,0.78,1.0,0.9705297786306627,0.9743334932492632,0.8110393393187582,0.8416660955383456,0.8993921766842574
EOS-2-24885,Fc1ccccc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,PZEBHULZGZPSBX-UHFFFAOYSA-N,2,1,0.57,34,929,432.846,4.62,5,0.403,0.8,1.0,0.9209187170173394,0.9730912891508464,0.8255945445822768,0.8706394352683161,0.8975609965046947
EOS-2-24886,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)cc1,KKCCTEUANAJFKW-UHFFFAOYSA-N,2,1,0.588,97,232,432.846,4.62,5,0.377,0.77,1.0,0.922092385717223,0.8934445891302858,0.8832328147488178,0.8958604619285861,0.8986575628812281
EOS-2-24887,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,CRXBNUQWCRIFKS-UHFFFAOYSA-N,2,1,0.554,1,436,432.846,4.62,5,0.377,0.81,1.0,0.8985847440202864,0.9614402714001782,0.8364060037009116,0.8557501199369474,0.8880452847645809
EOS-2-24888,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cc1,KISLMLSJDYVKMD-UHFFFAOYSA-N,2,1,0.561,57,418,432.846,4.62,5,0.403,0.79,1.0,0.7089815639777945,0.8606332670824481,0.8239753957919266,0.8690631211020492,0.8156633369885546
EOS-2-24889,Fc1ccnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)c1,NEJXXEWABSFHCB-UHFFFAOYSA-N,2,1,0.523,97,992,432.846,4.62,5,0.377,0.79,1.0,0.8480313206771297,0.7743814680282366,0.8700911520800494,0.8791292577616339,0.8429082996367625
EOS-2-24890,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cccnc1,FWBOYSPUKYSTMB-UHFFFAOYSA-N,2,1,0.6,34,436,432.846,4.62,5,0.403,0.82,1.0,0.8681207593722158,0.9656294976355287,0.8167363443218423,0.8490593516551299,0.8748864882461792
EOS-2-24891,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccccc1,VRJZCGYGPZWVBV-UHFFFAOYSA-N,2,1,0.577,57,210,432.846,4.62,5,0.403,0.78,1.0,0.9613289013775616,0.9795678843122473,0.6898773216366253,0.777748269481187,0.8521305942019053
EOS-2-24892,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4cccnc4)n3)n12,TZYQTFBIYOWLHU-UHFFFAOYSA-N,2,1,0.578,97,436,432.846,4.62,5,0.403,0.77,1.0,0.797272291138373,0.9429185799465424,0.8221506408059763,0.8472174628195462,0.8523897436776096
EOS-2-24893,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccnc5Cl)n34)c2)nc1,SDVNSXMEVPGMRU-UHFFFAOYSA-N,2,1,0.5,97,666,432.846,4.62,5,0.377,0.77,1.0,0.8985933109451032,0.8342985401960112,0.8492820917003633,0.8657819888972654,0.8619889829346858
EOS-2-24894,Fc1ccccc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,PULJBCIXGGZORB-UHFFFAOYSA-N,2,1,0.608,57,210,432.846,4.62,5,0.403,0.81,1.0,0.9625882393256117,0.9815297100952642,0.820120279624426,0.8706480021931328,0.9087215578096087
EOS-2-24895,Fc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,NTFFHOPHRDDLMO-UHFFFAOYSA-N,2,1,0.556,34,929,432.846,4.62,5,0.403,0.85,1.0,0.8745973545336166,0.9707439517510794,0.8239839627167432,0.8737406620519498,0.8857664827633474
EOS-2-24896,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)nc1,MWBFMPSSBIKFOI-UHFFFAOYSA-N,2,1,0.59,1,22,432.846,4.62,5,0.403,0.75,1.0,0.8134038105681585,0.8881073949695018,0.8443047083818792,0.8608902748269481,0.8516765471866219
EOS-2-24897,Fc1ncccc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,DYAQLILPUSKTFX-UHFFFAOYSA-N,2,1,0.6,97,91,432.846,4.62,5,0.377,0.76,1.0,0.9686450551709959,0.9678226303885957,0.892510794325269,0.9021228839695703,0.9327753409636078
EOS-2-24898,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)ccn1,LKZJSSMKOQLXOJ-UHFFFAOYSA-N,2,1,0.62,97,232,432.846,4.62,5,0.377,0.79,1.0,0.972457336714413,0.9671030087039956,0.8820848468233843,0.8875419779316017,0.9272967925433486
EOS-2-24899,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)nn1,NAXHGPVKGXEGAS-UHFFFAOYSA-N,2,1,0.636,43,613,432.846,4.62,5,0.403,0.76,1.0,0.9637704749503119,0.9539699129600439,0.8643684463025153,0.8819306421766843,0.9160098690973888
EOS-2-24900,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1,SUFYUZZSVQFDAN-UHFFFAOYSA-N,2,1,0.6,43,613,432.846,4.62,5,0.403,0.82,1.0,0.8879617572476184,0.9026111986841203,0.852486121581797,0.8762850387225002,0.8798360290590089
EOS-2-24901,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,HJVWWMRMVKJVAS-UHFFFAOYSA-N,2,1,0.632,97,91,432.846,4.62,5,0.377,0.78,1.0,0.9691248029607292,0.9707525186758961,0.9040161743540539,0.9113408950723049,0.938808597765746
EOS-2-24902,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)c4)n23)cc1,MEBAMNQZHHKHQY-UHFFFAOYSA-N,2,1,0.632,97,91,432.846,4.62,5,0.377,0.76,1.0,0.9666232609142622,0.942927146871359,0.9029710095264204,0.9101929271468714,0.9306785861147282
EOS-2-24903,Fc1cncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,LIQMSZAZIJORPR-UHFFFAOYSA-N,2,1,0.632,97,91,432.846,4.62,5,0.403,0.82,1.0,0.972817147556713,0.9713950380371462,0.90063223905147,0.9157528613528888,0.9401493214995545
EOS-2-24904,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,ZQKWNOUCPIOWQC-UHFFFAOYSA-N,2,1,0.592,34,929,432.846,4.62,5,0.403,0.84,1.0,0.887970324172435,0.9730998560756631,0.8345555479405112,0.8777499828661504,0.8933439277636899
EOS-2-24905,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,KSQYYCHPCINALO-UHFFFAOYSA-N,2,1,0.562,97,293,432.846,4.62,5,0.403,0.74,1.0,0.8898122130080186,0.877604345144267,0.8615499280378316,0.8673754369131657,0.8740854807758207
EOS-2-24906,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)nc1,GTQQTPDDEPYEGK-UHFFFAOYSA-N,2,1,0.59,1,22,432.846,4.62,5,0.403,0.76,1.0,0.8134123774929751,0.8854259475018847,0.8443132753066959,0.8592711260365979,0.8506056815845384
EOS-2-24907,Fc1ccc(-c2cnccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,OEJWSMCQEJBGAM-UHFFFAOYSA-N,2,1,0.615,97,232,432.846,4.62,5,0.403,0.77,1.0,0.9759526420396134,0.9800476321019806,0.870099719004866,0.8889640874511685,0.9287660201494072
EOS-2-24908,Fc1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(-c5cccnc5)n4)n23)cc1,IEECZCYPKZPTKL-UHFFFAOYSA-N,2,1,0.58,97,436,432.846,4.62,5,0.403,0.78,1.0,0.8591940237132479,0.9154187512850387,0.8329963676238777,0.8641628401069152,0.86794299568227
EOS-2-24909,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)cn1,BCRAFTNMEZCQBJ-UHFFFAOYSA-N,2,1,0.482,13,145,432.846,5.142,5,0.391,0.8,1.0,0.7744757042012199,0.8511496813103968,0.87548831471455,0.8690716880268659,0.8425463470632581
EOS-2-24910,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2)cn1,IOSNKGYTUXHMQV-UHFFFAOYSA-N,2,1,0.551,97,111,432.846,4.62,5,0.377,0.79,1.0,0.9424131313823589,0.9246624631622233,0.902979576451237,0.9010691522171201,0.917781080803235
EOS-2-24911,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)nc1,JMBPUPMNMLZSML-UHFFFAOYSA-N,2,1,0.529,1,31,432.846,4.62,5,0.377,0.82,1.0,0.8726183949009664,0.8634346514974984,0.8256031115070934,0.8435508189980124,0.8513017442258927
EOS-2-24912,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)c1,GIWLPWFHOTXWCA-UHFFFAOYSA-N,2,1,0.573,1,22,432.846,4.62,5,0.403,0.77,1.0,0.7861181550270715,0.8747601261051333,0.847431635939963,0.8657905558220821,0.8435251182235626
EOS-2-24913,Fc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)ccn1,VADPNHKNXKUHQE-UHFFFAOYSA-N,2,1,0.588,97,744,432.846,4.62,5,0.377,0.75,1.0,0.8860341991638682,0.9623569323555616,0.8832413816736344,0.8942927146871359,0.90648130697005
EOS-2-24914,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)c1,VVNWQERFWCERHX-UHFFFAOYSA-N,2,1,0.488,97,560,432.846,4.62,5,0.403,0.83,1.0,0.6332670824480844,0.7743900349530533,0.8395500651086286,0.8762936056473168,0.7808751970392708
EOS-2-24915,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)cc2)cn1,BLOCYXRWEOCRJV-UHFFFAOYSA-N,2,1,0.545,13,15,432.846,5.142,5,0.391,0.83,1.0,0.7718028236584196,0.8511582482352135,0.8600335823452814,0.8657991227468987,0.8371984442464533
EOS-2-24916,Fc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1ccccn1,VHGSVLSZSCGNKC-UHFFFAOYSA-N,2,1,0.638,97,850,432.846,4.62,5,0.403,0.72,1.0,0.810782331574258,0.8572921664039477,0.8426769926667124,0.8658076896717154,0.8441397950791584
EOS-2-24917,Fc1ccccc1-c1nnc2cncc(OCc3ccc(-c4cccc(Cl)n4)nc3)n12,RXEGFAQNKAEIAH-UHFFFAOYSA-N,2,1,0.542,1,709,432.846,4.62,5,0.377,0.77,1.0,0.8659961620176821,0.872010143238983,0.8066188061133576,0.8315742581043108,0.8440498423685834
EOS-2-24918,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)nc1,ILVBSPUIEDTGOW-UHFFFAOYSA-N,2,1,0.529,97,992,432.846,4.62,5,0.377,0.76,1.0,0.8843465149749846,0.795310465355356,0.8658762250702488,0.8721215132615996,0.8544136796655473
EOS-2-24919,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)nc1,CDKVXHAAVUACRG-UHFFFAOYSA-N,2,1,0.645,59,232,432.846,4.62,5,0.403,0.81,1.0,0.9778030978000137,0.9800561990267973,0.8540367349736139,0.8737492289767665,0.9214113151942979
EOS-2-24920,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)n1,UENAYOHMGWOULF-UHFFFAOYSA-N,2,1,0.636,1,232,432.846,4.62,5,0.377,0.81,1.0,0.9778116647248304,0.9731084230004797,0.8364145706257282,0.8541309711465972,0.9103664073744089
EOS-2-24921,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4ccncc4)cn3)n12,CVIAMRAFJCWLSR-UHFFFAOYSA-N,2,1,0.597,97,671,432.846,4.62,5,0.403,0.79,1.0,0.6757504626139401,0.8115704886573916,0.8540453018984305,0.8721300801864162,0.8033740833390446
EOS-2-24922,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,OHNHSKKPJZFGME-UHFFFAOYSA-N,2,1,0.444,44,692,432.846,4.62,5,0.403,0.77,1.0,0.6935182646837091,0.692438832156809,0.8474402028647796,0.8721386471112329,0.7763839867041327
EOS-2-24923,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)c2)nn1,CXOXZWFCBWWYAU-UHFFFAOYSA-N,2,1,0.6,43,613,432.846,4.62,5,0.403,0.75,1.0,0.8843550818998013,0.9113323281474882,0.8555102460420807,0.8791378246864505,0.8825838701939552
EOS-2-24924,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)c2)cn1,BCAPBKKOQCBMHA-UHFFFAOYSA-N,2,1,0.608,97,137,432.846,4.62,5,0.377,0.78,1.0,0.8480398876019464,0.8634432184223151,0.907237338085121,0.9157614282777055,0.883620468096772
EOS-2-24925,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1,QKIZPLBKWNNMOD-UHFFFAOYSA-N,2,1,0.568,57,372,432.846,4.62,5,0.403,0.82,1.0,0.8915341648961689,0.9720375573983963,0.8182698238640258,0.8706565691179494,0.8881245288191351
EOS-2-24926,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)nc1,DJVWJZKLVOIJPG-UHFFFAOYSA-N,2,1,0.494,34,162,432.846,4.62,5,0.403,0.79,1.0,0.6817558769104243,0.7743986018778699,0.8276077719141937,0.8673840038379823,0.7877865636351175
EOS-2-24927,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,LUNRIRLEWIPVBX-UHFFFAOYSA-N,2,1,0.641,1,232,432.846,4.62,5,0.403,0.83,1.0,0.970109999314646,0.9804845452676307,0.8714704269755329,0.884800561990268,0.9267163833870193
EOS-2-24928,Fc1ccccc1-c1ccnc(COc2cncc3nnc(-c4ccccc4Cl)n23)n1,NFQJLAVDJLHMHT-UHFFFAOYSA-N,2,1,0.538,57,616,432.846,4.62,5,0.403,0.74,1.0,0.7089901309026112,0.8776129120690837,0.7367469673086149,0.8177129737509423,0.785265746007813
EOS-2-24929,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,YKMSMPHFEXYFAN-UHFFFAOYSA-N,2,1,0.482,59,332,432.846,4.62,5,0.403,0.83,1.0,0.8289527791104105,0.8115790555822082,0.8295781646220273,0.8575491741484477,0.8319147933657735
EOS-2-24930,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1Cl,OLAYDXIILLWKJT-UHFFFAOYSA-N,2,1,0.667,59,294,432.846,4.62,5,0.403,0.82,1.0,0.9333236241518744,0.9313018298951409,0.8949266671235693,0.8997498457953533,0.9148254917414844
EOS-2-24931,Fc1cc(-c2ccc(COc3cncc4nnc(-c5cccc(Cl)c5)n34)nc2)ccn1,DNIWWYWITDZDSB-UHFFFAOYSA-N,2,1,0.638,97,744,432.846,4.62,5,0.377,0.78,1.0,0.6509920498937701,0.8193835240901925,0.8701082859296827,0.8833270509218011,0.8059527277088616
EOS-2-24932,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)ccn1,UONJOQHNXGPEOD-UHFFFAOYSA-N,2,1,0.6,97,744,432.846,4.62,5,0.377,0.8,1.0,0.8915427318209855,0.9656380645603454,0.8806798711534508,0.890266260023302,0.9070317318895209
EOS-2-24933,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)cn1,GHYRIGRZWSMHDB-UHFFFAOYSA-N,2,1,0.575,97,137,432.846,4.62,5,0.377,0.76,1.0,0.8409807415530122,0.8481598245493798,0.8973939414707697,0.9089849907477212,0.8738798745802208
EOS-2-24934,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cncnc1,RBPVIAQEXHULND-UHFFFAOYSA-N,2,1,0.699,59,232,432.846,4.62,5,0.403,0.75,1.0,0.977486121581797,0.9804931121924474,0.9259646357343568,0.9338976081145912,0.954460369405798
EOS-2-24935,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1Cl,PWSXDIJGQDOXMB-UHFFFAOYSA-N,2,1,0.757,97,96,432.846,4.62,5,0.403,0.76,1.0,0.9724659036392297,0.9550836131862107,0.9309505859776575,0.9314903022411075,0.9474976012610513
EOS-2-24936,Fc1cc(-c2cncc(-c3nnc4cncc(OCc5cccnc5)n34)c2)ccc1Cl,KICDVVGHWLFGIU-UHFFFAOYSA-N,2,1,0.53,97,884,432.846,4.62,5,0.403,0.77,1.0,0.8265797409361936,0.8343071071208279,0.9091391953944212,0.9157699952025221,0.8714490096634913
EOS-2-24937,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cc1,RNAWVMFSTFDZBO-UHFFFAOYSA-N,2,1,0.518,97,560,432.846,4.62,5,0.377,0.81,1.0,0.8185782331574258,0.7573932561167843,0.8687204441093825,0.8889726543759852,0.8334161469398944
EOS-2-24938,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)cc1Cl,AMPGVNXTBZWBLS-UHFFFAOYSA-N,2,1,0.699,24,912,432.846,4.62,5,0.403,0.8,1.0,0.932304160098691,0.8720187101637996,0.8687290110341992,0.8749057638270167,0.8869894112809267
EOS-2-24939,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)cc1Cl,KWHKHESSKJOCDY-UHFFFAOYSA-N,2,1,0.685,59,884,432.846,4.62,5,0.403,0.78,1.0,0.8823418545678843,0.8934531560551024,0.9147762319237887,0.9210557878144061,0.9029067575902954
EOS-2-24940,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccnc5)n34)c2)cc1Cl,UPUGVQWHQQZMCD-UHFFFAOYSA-N,2,1,0.482,59,153,432.846,4.62,5,0.403,0.81,1.0,0.7424868069357823,0.7164776231923788,0.8843122472757179,0.897179768350353,0.810114111438558
EOS-2-24941,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)cc1Cl,DMNQDWULKVNSLI-UHFFFAOYSA-N,2,1,0.675,43,433,432.846,4.62,5,0.403,0.8,1.0,0.9209272839421562,0.9264529504489069,0.8983877047495031,0.9067404564457542,0.9131270988965801
EOS-2-24942,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cc1,COSALKVIDBUBCU-UHFFFAOYSA-N,2,1,0.506,97,560,432.846,4.62,5,0.403,0.8,1.0,0.7972808580631896,0.7613597423069015,0.8658847919950654,0.8958690288534028,0.8300986053046397
EOS-2-24943,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3cccc(-c4cncnc4)c3)n12,YUYOZVONASVJIU-UHFFFAOYSA-N,2,1,0.538,59,671,432.846,4.62,5,0.403,0.8,1.0,0.8158282502912755,0.87476869302995,0.8925193612500857,0.9089935576725379,0.8730274655609622
EOS-2-24944,Fc1cccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,OJFVXTAABYKRKN-UHFFFAOYSA-N,2,1,0.562,57,210,432.846,4.62,5,0.403,0.85,1.0,0.9413251319306422,0.9783342471386471,0.7793417174970872,0.8416746624631622,0.8851689397573848
EOS-2-24945,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)nc1,PYLUAXLPSVFDGP-UHFFFAOYSA-N,2,1,0.494,34,162,432.846,4.62,5,0.403,0.8,1.0,0.6847628675210746,0.7953190322801728,0.8364231375505449,0.8706651360427661,0.7967925433486396
EOS-2-24946,Fc1ccccc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,UDCLRVKZJVVZGA-UHFFFAOYSA-N,2,1,0.57,57,210,432.846,4.62,5,0.403,0.81,1.0,0.9606606812418614,0.980064765951614,0.7745528065245699,0.8377424439723117,0.8882551744225893
EOS-2-24947,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)c4)n23)cc1,VDPNQMYEPFHERN-UHFFFAOYSA-N,2,1,0.649,43,613,432.846,4.62,5,0.403,0.83,1.0,0.9705383455554794,0.965646631485162,0.8615584949626482,0.8819392091015009,0.9199206702761976
EOS-2-24948,Fc1ccnc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c1,JRXPMQNKZFLARX-UHFFFAOYSA-N,2,1,0.565,97,666,432.846,4.62,5,0.403,0.74,1.0,0.6080803234870811,0.7443201288465492,0.8364317044753615,0.8608988417517648,0.7624327496401893
EOS-2-24949,Fc1ccc(-c2ncncc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,MYWMMRUEWVULGL-UHFFFAOYSA-N,2,1,0.649,57,798,432.846,4.62,5,0.403,0.76,1.0,0.9815125762456308,0.9815382770200809,0.8569494894112809,0.8929905421150024,0.9282477211979988
EOS-2-24950,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4)n23)ccc1Cl,DARIUZMRLVZUPR-UHFFFAOYSA-N,2,1,0.658,43,293,432.846,4.62,5,0.403,0.77,1.0,0.9724744705640463,0.9763552875059969,0.8792748954835172,0.880594201905284,0.9271747138647111
EOS-2-24951,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccncc5Cl)n34)c2)cc1,VRVRNDNKIGTECB-UHFFFAOYSA-N,2,1,0.543,97,137,432.846,4.62,5,0.403,0.79,1.0,0.8388218764992118,0.8854345144267014,0.9061664724830375,0.9231632513193064,0.8883965286820643
EOS-2-24952,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4ncccn4)cc3)n12,IEMMRWPEIWFETA-UHFFFAOYSA-N,2,1,0.579,57,671,432.846,4.62,5,0.403,0.78,1.0,0.9015917346309369,0.9113408950723049,0.8313086834349942,0.8490679185799466,0.8733273079295456
EOS-2-24953,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)cc1,SUWMKVADEVVBCY-UHFFFAOYSA-N,2,1,0.611,57,210,432.846,4.62,5,0.403,0.77,1.0,0.9413336988554588,0.9454715235419094,0.804776917277774,0.8525803577547804,0.8860406243574808
EOS-2-24954,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)nc1,NXJHNXWQWUYKSG-UHFFFAOYSA-N,2,1,0.575,97,992,432.846,4.62,5,0.377,0.78,1.0,0.9613374683023782,0.902619765608937,0.8742032759920499,0.8763021725721335,0.9036156706188747
EOS-2-24955,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1ccccn1,RDLKILQYUGLDLJ-UHFFFAOYSA-N,2,1,0.536,97,992,432.846,4.62,5,0.377,0.79,1.0,0.9525392365156603,0.8958947296278528,0.8701168528544994,0.8749143307518333,0.8983662874374615
EOS-2-24956,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,GOKJDSRHNCBSIK-UHFFFAOYSA-N,2,1,0.537,24,912,432.846,4.62,5,0.403,0.74,1.0,0.8843636488246179,0.8376396408745117,0.8569580563360976,0.8706737029675827,0.8624087622507025
EOS-2-24957,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)ccc1Cl,OBAQBCMORRRYQD-UHFFFAOYSA-N,2,1,0.757,97,96,432.846,4.62,5,0.403,0.76,1.0,0.9737595092865465,0.9560174079912275,0.9309591529024741,0.9314988691659242,0.9480587348365431
EOS-2-24958,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1,JVAMTWZHOILOAX-UHFFFAOYSA-N,2,1,0.671,43,613,432.846,4.62,5,0.403,0.84,1.0,0.9671715441025289,0.9569255020217943,0.870125419779316,0.8848091289150847,0.9197578987046809
EOS-2-24959,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)nc1,DMOZFWSZEBBTMF-UHFFFAOYSA-N,2,1,0.58,1,666,432.846,4.62,5,0.403,0.72,1.0,0.6569117949420876,0.757401823041601,0.8345641148653279,0.8557586868617642,0.7761591049276951
EOS-2-24960,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nc2)cc1,AHQJGTSRRKGRJQ-UHFFFAOYSA-N,2,1,0.488,97,560,432.846,4.62,5,0.403,0.81,1.0,0.6304228634089507,0.7613683092317182,0.8395586320334453,0.877758549790967,0.7772770886162703
EOS-2-24961,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5cccc(Cl)c5)n34)nn2)c1,JNHMPUCRQKAJDQ-UHFFFAOYSA-N,2,1,0.595,57,372,432.846,4.62,5,0.403,0.81,1.0,0.6602871633198547,0.8542337742443973,0.8028236584195737,0.862492289767665,0.7949592214378727
EOS-2-24962,COc1cc(-c2cncnc2)c(F)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,RHOPCCRRYBAKPG-UHFFFAOYSA-N,2,1,0.4,96,46,432.846,4.716,5,0.409,0.71,1.0,0.5879566170927284,0.7574103899664176,0.9194366390240559,0.916806593105339,0.7954025597971353
EOS-2-24963,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,KZOYNTPAHJNRCQ-UHFFFAOYSA-N,2,1,0.649,43,613,432.846,4.62,5,0.403,0.81,1.0,0.972097525872113,0.9811956000274141,0.864377013227332,0.8848176958399013,0.9256219587416901
EOS-2-24964,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)n12,JAOOBSWRMAERFN-UHFFFAOYSA-N,2,1,0.6,79,590,432.842,6.168,5,0.332,0.85,1.0,0.8968199575080529,0.9373843465149749,0.954869440065794,0.959512713316428,0.9371466143513124
EOS-2-24965,Oc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)cc1,FRBLKUPKPWGMPW-UHFFFAOYSA-N,2,1,0.532,83,163,432.842,5.749,5,0.391,0.78,1.0,0.9434411623603591,0.9763638544308135,0.9660235761770954,0.9724487697895964,0.9645693406894662
EOS-2-24966,Fc1ccc(Oc2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cc2)cc1,WSPISPKQOFUGHC-UHFFFAOYSA-N,2,1,0.746,79,590,432.842,6.168,5,0.332,0.85,1.0,0.8915512987458022,0.9647899390034953,0.959718319512028,0.9688163936673292,0.9462189877321637
EOS-2-24967,Oc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccccc1,VZJXOBOAEOKCIY-UHFFFAOYSA-N,2,1,0.494,83,480,432.842,5.749,5,0.391,0.71,1.0,0.9047529298882873,0.9002809951339867,0.9554262901788774,0.9631365225138784,0.9308991844287574
EOS-2-24968,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)ncn2)cn1,CQDIZFBLSVDOJN-UHFFFAOYSA-N,2,1,0.374,7,296,432.835,2.369,5,0.408,0.61,0.948,0.43792406277842505,0.45315605510246043,0.11916592419984923,0.12817832910698376,0.2846060927969296
EOS-2-24969,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncncn5)nc4)n23)nn1,OUXADUWQEMPDTE-UHFFFAOYSA-N,2,1,0.479,58,779,432.835,2.103,5,0.393,0.7,0.999,0.6220701117126997,0.7916609553834556,0.09750873826331301,0.12601946405318348,0.40931481735316294
EOS-2-24970,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ncn2)cn1,LJZPJKLYLOAHNC-UHFFFAOYSA-N,2,1,0.354,7,296,432.835,2.369,5,0.381,0.62,0.782,0.46597217462819546,0.46215132615996163,0.095058597765746,0.1034970187101638,0.2816697793160167
EOS-2-24971,Cn1nc(-c2nc[nH]n2)cc1COc1cncc2nnc(-c3ccc(Cl)c(C#N)c3)n12,ACRQANWPDDXTIN-UHFFFAOYSA-N,2,1,0.457,36,404,432.835,2.414,5,0.447,0.59,0.999,0.4125316976218217,0.6536734973613871,0.3343413748200946,0.37423754369131657,0.44369602837365496
EOS-2-24972,Cc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)nn5)n34)n2)ncn1,AESORHRNCULPKB-UHFFFAOYSA-N,2,1,0.34,7,828,432.835,2.369,5,0.408,0.63,0.997,0.47846275101089714,0.543168734151189,0.11053046398464807,0.12602803097800014,0.3145474950311836
EOS-2-24973,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ccn2)nn1,JISCHXNXGCGOBT-UHFFFAOYSA-N,2,1,0.494,7,99,432.835,2.369,5,0.381,0.66,1.0,0.4609947913097115,0.5156689054896855,0.1191744911246659,0.12166746624631622,0.30437641354259476
EOS-2-24974,N=c1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)c[nH]1,VROSHHFHKSUSON-UHFFFAOYSA-N,2,1,0.402,51,196,432.835,2.078,5,0.429,0.72,1.0,0.5791926530052772,0.5815228565554109,0.20385854293742717,0.18627921321362484,0.387713316427935
EOS-2-24975,Cc1nc(-c2cnccn2)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)n1,CEGCJFHWLMJQAG-UHFFFAOYSA-N,2,1,0.368,7,330,432.835,2.369,5,0.408,0.61,1.0,0.4425844698786923,0.4531646220272771,0.09751730518812966,0.10758344184771435,0.27521245973545333
EOS-2-24976,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)n1,MKFAZWKBACGBOR-UHFFFAOYSA-N,2,1,0.43,7,617,432.835,2.369,5,0.408,0.59,1.0,0.5006596532108835,0.6198769789596327,0.10007024878349667,0.10544171064354739,0.33151214789939004
EOS-2-24977,Clc1nccnc1CCOc1cncc2nnc(-c3cc(-c4cncnc4)ncn3)n12,QTFBAPREBXEZAZ-UHFFFAOYSA-N,2,1,0.384,31,194,432.835,2.103,5,0.393,0.58,0.732,0.5495082585155233,0.5431773010760057,0.09752587211294633,0.1367623877732849,0.33174345486944007
EOS-2-24978,N=c1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)c[nH]1,BAHKBJDDDQYORL-UHFFFAOYSA-N,2,1,0.394,7,94,432.835,2.078,5,0.429,0.75,1.0,0.45428688917826054,0.5573212939483243,0.24279521622918238,0.22339969844424645,0.3694507744500034
EOS-2-24979,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nn1,GTLLUOUXAGQLDI-UHFFFAOYSA-N,2,1,0.404,53,411,432.835,2.103,5,0.393,0.64,0.998,0.5290504420533205,0.6153193749571654,0.04067575902953876,0.08041772325406073,0.3163658248235214
EOS-2-24980,N=c1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)c2)n[nH]1,GCSFZVQPGVJCMS-UHFFFAOYSA-N,2,1,0.388,46,181,432.835,2.078,5,0.402,0.63,1.0,0.3843122472757179,0.2920207662257556,0.21422452196559524,0.1919590843670756,0.2706291549585361
EOS-2-24981,Clc1cncnc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)ncn3)n12,RJLDGSUPCIULLQ-UHFFFAOYSA-N,2,1,0.394,31,296,432.835,2.103,5,0.393,0.6,0.933,0.6025032554314304,0.52496401891577,0.097534439037763,0.1414998971969022,0.34162540264546637
EOS-2-24982,Clc1ncc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)nn4)n23)cn1,MVAOHILSIZALGQ-UHFFFAOYSA-N,2,1,0.467,4,700,432.831,3.396,5,0.372,0.71,1.0,0.5181533136865191,0.6338753341100678,0.3119560002741416,0.3134980467411418,0.44437067370296757
EOS-2-24983,Oc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cncnc1,JGFYCONDIJMVER-UHFFFAOYSA-N,2,1,0.467,4,208,432.831,2.976,5,0.446,0.66,1.0,0.6392296621204853,0.6581368651908711,0.47632958673154685,0.4719947227743129,0.561422709204304
EOS-2-24984,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)n[nH]1,QXRCLFCEOHURDK-UHFFFAOYSA-N,2,1,0.43,55,565,432.831,2.564,5,0.42,0.72,0.999,0.6510006168185868,0.6103591254883147,0.44497464190254266,0.44697930230964295,0.5383284216297718
EOS-2-24985,Oc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cnccn1,RGXOVRYNJMGEKT-UHFFFAOYSA-N,2,1,0.472,4,208,432.831,2.976,5,0.446,0.65,1.0,0.6193458296209993,0.6242118429168666,0.40825680213830445,0.40239702556370366,0.5135528750599685
EOS-2-24986,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)n[nH]1,YFQDMZQIARYACE-UHFFFAOYSA-N,2,1,0.462,72,418,432.831,2.564,5,0.449,0.73,1.0,0.6165958467548489,0.6007727366184634,0.3794205332054006,0.4053697484750874,0.5005397162634501
EOS-2-24987,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5[N+](=O)[O-])n34)nc2)cn1,CLFRYSCVVRDTAJ-UHFFFAOYSA-N,2,1,0.376,96,216,432.831,3.815,5,0.313,0.73,1.0,0.10382256185319717,0.1741827153724899,0.4414536358028922,0.33552361044479473,0.2637456308683435
EOS-2-24988,O=c1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)n[nH]1,OOBASBKLNQGREL-UHFFFAOYSA-N,2,1,0.478,2,422,432.831,2.564,5,0.449,0.7,0.998,0.45659995887876087,0.47954218353779726,0.437692755808375,0.45952984716606127,0.45834118634774856
EOS-2-24989,Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nc5)nn4)n23)cc1,YFJOFJHEKDAVMC-UHFFFAOYSA-N,2,1,0.465,4,22,432.831,2.976,5,0.417,0.58,1.0,0.627681447467617,0.7072082105407443,0.3267767802069769,0.37087074223836614,0.5081342951134261
EOS-2-24990,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cocc5Br)n34)nc2)c1,OTLPVKFCEKATLX-UHFFFAOYSA-N,2,1,0.43,2,119,467.258,4.322,5,0.38,0.71,1.0,0.6965680899184429,0.5762541977931601,0.7559968473716675,0.7449369474333494,0.693439020629155
EOS-2-24991,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)n2)cc1,IEROUSACOVRXKN-UHFFFAOYSA-N,2,1,0.584,34,612,467.262,3.248,5,0.392,0.64,1.0,0.5106743883215681,0.6385271742855184,0.33038345555479404,0.4561887464875608,0.4839434411623603
EOS-2-24992,Fc1cc(Br)cnc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,CKQKVPYFGDCOMR-UHFFFAOYSA-N,2,1,0.506,47,164,467.262,3.452,5,0.422,0.69,1.0,0.6935268316085258,0.6103676924131314,0.5286049619628538,0.5130988280446851,0.5863995785072991
EOS-2-24993,Oc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1ccnc(Cl)n1,FLTKNTVABTYGSZ-UHFFFAOYSA-N,2,1,0.411,16,335,467.276,3.63,5,0.305,0.57,1.0,0.8265883078610102,0.79967103008704,0.46619491467342883,0.4961705846069495,0.647156209307107
EOS-2-24994,Cn1nc(-c2ccc(Cl)o2)nc1COc1cncc2nnc(-c3ccc(Cl)c(C#N)c3)n12,QTPJKVWKOGHXBX-UHFFFAOYSA-N,2,1,0.483,36,404,467.276,3.937,5,0.381,0.69,0.703,0.6166044136796656,0.7487063943526832,0.44851278185182647,0.584898224933178,0.5996804537043383
EOS-2-24995,Cc1nc(-c2cnc(Cl)nc2)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)n1,DFLOIEBYGPJHIA-UHFFFAOYSA-N,2,1,0.385,7,587,467.28,3.023,5,0.356,0.65,0.999,0.47352820231649645,0.48362003975053114,0.18342642724967445,0.23244637105064767,0.34325526009183743
EOS-2-24996,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4ccc(Cl)nc4)n3)n12,IGDOBODUKIVXEZ-UHFFFAOYSA-N,2,1,0.517,34,436,467.291,5.273,5,0.328,0.77,1.0,0.8503443903776301,0.9569340689466109,0.9006408059762867,0.9282434377355905,0.9090406757590296
EOS-2-24997,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)cc1Cl,YNALPSBMIBOGMT-UHFFFAOYSA-N,2,1,0.542,59,89,467.291,5.273,5,0.328,0.8,1.0,0.9140223425399219,0.92467103008704,0.9395432115687753,0.9519052840792269,0.932535467068741
EOS-2-24998,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2)ccc1Cl,JBJXKFCACMUJKN-UHFFFAOYSA-N,2,1,0.477,59,153,467.291,5.273,5,0.35,0.84,1.0,0.8934017545062024,0.8481683914741964,0.9354824892056748,0.9544325269001439,0.9078712905215542
EOS-2-24999,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)cnc1Cl,JIQXLTHYZPZASP-UHFFFAOYSA-N,2,1,0.438,59,89,467.291,5.273,5,0.328,0.8,1.0,0.8337588239325612,0.8233328764306764,0.9194452059488726,0.9439894455486258,0.880131587965184
EOS-2-25000,Fc1cc(-c2nnc3cncc(OCc4ccncc4-c4ccc(Cl)nc4)n23)ccc1Cl,SDYYNIYLJXGRFV-UHFFFAOYSA-N,2,1,0.575,59,89,467.291,5.273,5,0.328,0.76,1.0,0.9721060927969296,0.9778373654992804,0.9520680556507436,0.9625625385511617,0.9661435131245288
EOS-2-25001,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cn4)c3)n12,HFRDWTFTKQRXIL-UHFFFAOYSA-N,2,1,0.506,59,666,467.291,5.273,5,0.35,0.72,1.0,0.7485179220067165,0.7953275992049894,0.8867281200740182,0.9210643547392228,0.8379094990062367
EOS-2-25002,Fc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccccc1Cl,KIJZMCXHNVJMRK-UHFFFAOYSA-N,2,1,0.438,59,89,467.291,5.273,5,0.328,0.79,1.0,0.8879788910972517,0.8271451579740936,0.9040247412788706,0.9374186142142417,0.8891418511411144
EOS-2-25003,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)cc1Cl,HETAXWNQSRSOST-UHFFFAOYSA-N,2,1,0.536,59,801,467.291,5.273,5,0.35,0.79,1.0,0.8289613460352272,0.9133112877801385,0.9241655815228565,0.944786169556576,0.9028060962236996
EOS-2-25004,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccc(Cl)nc1,OLJPIDGWWMVILC-UHFFFAOYSA-N,2,1,0.561,34,929,467.291,5.273,5,0.328,0.76,1.0,0.9153759166609554,0.9747875402645466,0.8961260365979028,0.9282520046604071,0.928635374545953
EOS-2-25005,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,DOGREADUUXCYGX-UHFFFAOYSA-N,2,1,0.55,43,613,467.291,5.273,5,0.35,0.81,1.0,0.9649098759509287,0.9607377835652114,0.9224607634843397,0.9447947364813927,0.9482257898704681
EOS-2-25006,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)ccc1Cl,VKJFVFMTOUOTGF-UHFFFAOYSA-N,2,1,0.658,59,294,467.291,5.273,5,0.328,0.8,1.0,0.9572596120896443,0.9587759577821945,0.9430213830443424,0.9538071413885272,0.9532160235761771
EOS-2-25007,Fc1ccc(-c2ccnnc2COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1,MNTQCJQMRZCYAI-UHFFFAOYSA-N,2,1,0.549,34,146,467.291,5.273,5,0.35,0.65,1.0,0.8001507778767734,0.9614488383249948,0.9081968336645878,0.947878829415393,0.9044188198204373
EOS-2-25008,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)ccc2F)cn1,SERAIKDOCADYKC-UHFFFAOYSA-N,2,1,0.506,13,145,467.291,5.795,5,0.333,0.72,1.0,0.8765763141662669,0.9209529847166061,0.9430299499691591,0.9524792680419437,0.9232596292234939
EOS-2-25009,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)ccc1Cl,GNBBJTJVIFSOPC-UHFFFAOYSA-N,2,1,0.542,59,89,467.291,5.273,5,0.328,0.78,1.0,0.9166780892330889,0.9359708039202248,0.939551778493592,0.9519138510040436,0.9360286306627373
EOS-2-25010,Fc1cnc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1ccc(Cl)cc1,LQUYWWCJWGOTNN-UHFFFAOYSA-N,2,1,0.446,34,560,467.291,5.273,5,0.328,0.8,1.0,0.7392742101295319,0.8115876225070249,0.8961346035227195,0.934857103694058,0.8454633849633335
EOS-2-25011,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cn4)nc3)n12,NDVJBDWCZIXUEJ-UHFFFAOYSA-N,2,1,0.524,59,910,467.291,5.273,5,0.35,0.77,1.0,0.9366133232814748,0.9429357137961757,0.9233859913645398,0.9431927215406758,0.9365319374957166
EOS-2-25012,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)c5Cl)n34)c2)ccn1,KFMVMORBJRHXRM-UHFFFAOYSA-N,2,1,0.433,59,153,467.291,5.273,5,0.328,0.76,1.0,0.7485264889315332,0.7660801178808855,0.9389006922075251,0.9557946679459941,0.8523254917414845
EOS-2-25013,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)cc1Cl,DLUKQFASBNJZHU-UHFFFAOYSA-N,2,1,0.658,34,13,467.291,5.273,5,0.35,0.73,1.0,0.9016003015557535,0.8881159618943184,0.9416506750736755,0.9658693715303954,0.9243090775135356
EOS-2-25014,Fc1ccc(Cl)cc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,MCYPEERMNOXUMX-UHFFFAOYSA-N,2,1,0.562,34,210,467.291,5.273,5,0.35,0.79,1.0,0.972483037488863,0.9842111575628812,0.8832499485984511,0.9305393735864574,0.9426208793091632
EOS-2-25015,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)ccc1Cl,SQXFZTTYETZGHK-UHFFFAOYSA-N,2,1,0.736,43,613,467.291,5.273,5,0.35,0.8,1.0,0.9811870331025975,0.9787283256802138,0.937487149612775,0.9512456308683435,0.9621620348159825
EOS-2-25016,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)c5)cn4)n23)ccc1Cl,RIEMMHPAFZNDEN-UHFFFAOYSA-N,2,1,0.548,34,929,467.291,5.273,5,0.35,0.78,1.0,0.9209358508669728,0.9747961071893633,0.9137910355698718,0.9448033034062093,0.9385815742581043
EOS-2-25017,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccnc(Cl)c1,NKXHWISPBJHKMC-UHFFFAOYSA-N,2,1,0.524,97,89,467.291,5.273,5,0.328,0.71,1.0,0.9532759920498938,0.9359793708450415,0.944888972654376,0.9595212802412446,0.9484164039476389
EOS-2-25018,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1Cl,NXCJNVWSTISLLG-UHFFFAOYSA-N,2,1,0.575,34,372,467.291,5.273,5,0.35,0.78,1.0,0.9366218902062915,0.9743420601740799,0.9082054005894045,0.944811870331026,0.9409953053252005
EOS-2-25019,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(Cl)c5)n34)cc2)nn1,JSNDGHAVMOEBFN-UHFFFAOYSA-N,2,1,0.736,43,613,467.291,5.273,5,0.35,0.78,1.0,0.9806387499143308,0.9783428140634638,0.938129668974025,0.9519224179288602,0.9622584127201699
EOS-2-25020,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccnc(-c4ccc(Cl)nc4)c3)n12,PQMFKWNSYHQFAK-UHFFFAOYSA-N,2,1,0.523,59,577,467.291,5.273,5,0.328,0.8,1.0,0.9094990062367213,0.9190939620313893,0.9416592419984923,0.9538157083133438,0.9310169796449868
EOS-2-25021,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4ccc(Cl)nc4)c3)n12,USYWPYHQKLAUCL-UHFFFAOYSA-N,2,1,0.512,59,332,467.291,5.273,5,0.328,0.8,1.0,0.8986018778699199,0.9191025289562059,0.932509766294291,0.9505774107326435,0.9251978959632651
EOS-2-25022,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)c(Cl)cn5)n34)c2)cn1,QOQFPIDZOAZZDK-UHFFFAOYSA-N,2,1,0.535,97,962,467.291,5.273,5,0.328,0.7,1.0,0.6695822767459393,0.8155712425467754,0.9333064903022411,0.9478873963402097,0.8415868514837913
EOS-2-25023,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)ccc1Cl,RPCJYBGIWHLAMU-UHFFFAOYSA-N,2,1,0.488,59,153,467.291,5.273,5,0.328,0.77,1.0,0.8185868000822425,0.7872746898773216,0.9366561579055582,0.9524878349667604,0.8737513707079706
EOS-2-25024,Fc1cc(Cl)ccc1-c1ccnc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,JOJHKVDZNBSKJT-UHFFFAOYSA-N,2,1,0.466,59,153,467.291,5.273,5,0.328,0.76,1.0,0.8212682475498595,0.8343156740456446,0.9325183332191077,0.952496401891577,0.8851496641765472
EOS-2-25025,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncc1-c1cncc(Cl)c1,WLORJQSSDJXXOY-UHFFFAOYSA-N,2,1,0.568,34,71,467.291,5.273,5,0.35,0.75,1.0,0.9511942293194435,0.9731169899252964,0.9325269001439244,0.9544410938249606,0.9528198033034063
EOS-2-25026,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cc1Cl,IVMXJBHTBJWLSA-UHFFFAOYSA-N,2,1,0.603,34,372,467.291,5.273,5,0.35,0.84,1.0,0.9540898499074772,0.9819494894112809,0.9157614282777055,0.9478959632650263,0.9499241827153725
EOS-2-25027,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cn4)n23)cc1Cl,BWBLUQTVQLJZKS-UHFFFAOYSA-N,2,1,0.603,59,294,467.291,5.273,5,0.35,0.76,1.0,0.9260246042080734,0.8981478308546365,0.9275923514495237,0.9464395860461928,0.9245510931396066
EOS-2-25028,Fc1ccc(COc2cncc3nnc(-c4cnnc(-c5cccc(Cl)c5)c4)n23)cc1Cl,RRJWJSCVJUVFOY-UHFFFAOYSA-N,2,1,0.646,34,13,467.291,5.273,5,0.35,0.63,1.0,0.9016088684805702,0.934497292851758,0.942438832156809,0.9648584744020287,0.9358508669727915
EOS-2-25029,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4cccc(Cl)n4)cn3)n12,UOCVSZOIHJTQOC-UHFFFAOYSA-N,2,1,0.444,59,109,467.291,5.273,5,0.328,0.77,1.0,0.8503529573024468,0.8747772599547666,0.9119491467342883,0.9374271811390583,0.89362663628264
EOS-2-25030,Fc1ncc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1-c1ccc(Cl)cc1,BXSNKHARINEXNC-UHFFFAOYSA-N,2,1,0.568,97,992,467.291,5.273,5,0.328,0.78,1.0,0.9311733260228908,0.9264615173737235,0.9366647248303749,0.9525049688163937,0.9367011342608457
EOS-2-25031,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cc1Cl,UYLSNBDCNITOEU-UHFFFAOYSA-N,2,1,0.684,43,613,467.291,5.273,5,0.35,0.8,1.0,0.946927900760743,0.9518538825303269,0.9333150572270578,0.9492581043108765,0.945338736207251
EOS-2-25032,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cc1Cl,WYAGQBFZLFRAGF-UHFFFAOYSA-N,2,1,0.466,59,560,467.291,5.273,5,0.35,0.78,1.0,0.7117658145432115,0.7702436433417861,0.9176718525118224,0.9472106092796929,0.8367229799191283
EOS-2-25033,Fc1ccnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c2)c1,KNQSNPNMIKQEOH-UHFFFAOYSA-N,2,1,0.523,59,89,467.291,5.273,5,0.35,0.67,1.0,0.9209444177917895,0.9569426358714276,0.9302052635186073,0.9525135357412103,0.9401514632307586
EOS-2-25034,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)ccc1Cl,IZJOGUXZMQTLIH-UHFFFAOYSA-N,2,1,0.58,59,153,467.291,5.273,5,0.328,0.79,1.0,0.872626961825783,0.8445788499760126,0.9424473990816257,0.9564885888561442,0.9040354499348914
EOS-2-25035,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)cc1Cl,PRQBDKRISGPLSM-UHFFFAOYSA-N,2,1,0.541,59,801,467.291,5.273,5,0.35,0.76,1.0,0.7744842711260366,0.9002895620588034,0.9259732026591735,0.9479045301898431,0.8871628915084641
EOS-2-25036,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,KPRUCOCOFKSWNI-UHFFFAOYSA-N,2,1,0.444,59,153,467.291,5.273,5,0.328,0.79,1.0,0.7632187649921184,0.8039801932698238,0.9360564731683915,0.9544496607497772,0.8644262730450276
EOS-2-25037,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,OQEMINADGFOSTO-UHFFFAOYSA-N,2,1,0.44,59,153,467.291,5.273,5,0.328,0.83,1.0,0.7972894249880063,0.7996795970118566,0.9381382358988417,0.9538242752381605,0.8722328832842163
EOS-2-25038,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5Cl)ccn4)n23)cc1Cl,ZUQBSHKMHOKVEQ-UHFFFAOYSA-N,2,1,0.573,59,153,467.291,5.273,5,0.328,0.71,1.0,0.9079398259200877,0.8411435131245288,0.9360650400932081,0.9530789527791104,0.9095568329792337
EOS-2-25039,Fc1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nnc1Cl,UGWTYGCSTNDPDA-UHFFFAOYSA-N,2,1,0.633,43,613,467.291,5.273,5,0.35,0.56,1.0,0.9749417449112466,0.9815468439448976,0.9185371119183058,0.9439980124734425,0.9547559283119731
EOS-2-25040,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4Cl)n23)cc1,VAKLNTRCLAGGHY-UHFFFAOYSA-N,2,1,0.542,1,992,467.291,5.273,5,0.328,0.75,1.0,0.964387293537112,0.9429442807209923,0.9029881433760537,0.9252193132753067,0.9338847577273662
EOS-2-25041,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4cccc(Cl)n4)nc3)n12,BRQUAPLQXHVLMF-UHFFFAOYSA-N,2,1,0.553,59,146,467.291,5.273,5,0.328,0.68,1.0,0.9444520594887259,0.9656551984099787,0.9018915769995203,0.9273439106298403,0.9348356863820163
EOS-2-25042,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c(Cl)c1,KMFVLRCTHLWOIV-UHFFFAOYSA-N,2,1,0.444,59,153,467.291,5.273,5,0.328,0.8,1.0,0.727331916935097,0.8115961894318415,0.9366732917551915,0.9551435816599273,0.8576862449455144
EOS-2-25043,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1Cl,GHMULDRAANHGBM-UHFFFAOYSA-N,2,1,0.529,43,613,467.291,5.273,5,0.35,0.74,1.0,0.8823504214927009,0.9373929134397917,0.9276009183743403,0.9479130971146598,0.9238143376053732
EOS-2-25044,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)cc3)n12,COXAKSYPZCSSDS-UHFFFAOYSA-N,2,1,0.506,97,22,467.291,5.273,5,0.328,0.81,1.0,0.8616184634363648,0.905172709204304,0.9147847988486053,0.9365790555822082,0.9045387567678707
EOS-2-25045,Fc1ccc(-c2ccc(Cl)nc2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,JCBANCIAZNICHU-UHFFFAOYSA-N,2,1,0.561,34,232,467.291,5.273,5,0.328,0.8,1.0,0.9248680693578233,0.9743506270988965,0.8936159276266191,0.9282605715852238,0.9302737989171407
EOS-2-25046,Fc1c(Cl)cccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,WWTCWEOOCZQDDU-UHFFFAOYSA-N,2,1,0.575,34,372,467.291,5.273,5,0.35,0.83,1.0,0.9469364676855596,0.9773404838599137,0.9082139675142211,0.9432012884654924,0.9439230518812968
EOS-2-25047,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)cc1Cl,WKFIHECVPBSJNC-UHFFFAOYSA-N,2,1,0.535,97,962,467.291,5.273,5,0.328,0.72,1.0,0.6695908436707559,0.815579809471592,0.932535467068741,0.9485470495510931,0.8415632924405455
EOS-2-25048,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)cc1Cl,LONAPJSIJKIFKK-UHFFFAOYSA-N,2,1,0.5,59,801,467.291,5.273,5,0.35,0.78,1.0,0.8083236241518744,0.9133198547049551,0.9214670002056062,0.9448204372558426,0.8969827290795697
EOS-2-25049,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccc(Cl)nn1,COKMNRQBPMBMQJ-UHFFFAOYSA-N,2,1,0.689,43,372,467.291,5.273,5,0.35,0.79,1.0,0.9842625591117813,0.9873038174216983,0.9309677198272908,0.952522102666027,0.9637640497566993
EOS-2-25050,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)n23)c(Cl)cc1Cl,XWCKLAHYNZPSCQ-UHFFFAOYSA-N,2,1,0.565,59,436,467.291,5.273,5,0.328,0.74,1.0,0.7916181207593722,0.9297683503529574,0.9091477623192379,0.9294342402851072,0.8899921184291686
EOS-2-25051,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cccc(Cl)c1,QXDZONYQYZHOIO-UHFFFAOYSA-N,2,1,0.556,34,210,467.291,5.273,5,0.35,0.77,1.0,0.9686536220958125,0.9838170790213145,0.8379052155438284,0.9078284558974711,0.9245510931396066
EOS-2-25052,Fc1ccnc(-c2cnccc2COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c1,UWZRIXOCSMJYMN-UHFFFAOYSA-N,2,1,0.573,59,89,467.291,5.273,5,0.35,0.71,1.0,0.9649184428757454,0.9720461243232129,0.9381468028236584,0.9551521485847441,0.9575658796518401
EOS-2-25053,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nc5)n4)n23)cc1Cl,AVQNJYUMKBSJNW-UHFFFAOYSA-N,2,1,0.529,59,436,467.291,5.273,5,0.328,0.78,1.0,0.9047614968131039,0.9530532520046604,0.9166866561579056,0.9356880954012747,0.9275473750942361
EOS-2-25054,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cnc1Cl,JXUWMPDNEORXKA-UHFFFAOYSA-N,2,1,0.488,59,560,467.291,5.273,5,0.328,0.78,1.0,0.8503615242272634,0.8193920910150092,0.9250908094030567,0.9479216640394764,0.8856915221712014
EOS-2-25055,Fc1cc(-c2ncccc2-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1Cl,YTLZADSFVWRJGF-UHFFFAOYSA-N,2,1,0.529,59,992,467.291,5.273,5,0.328,0.72,1.0,0.8952607771914194,0.8981563977794531,0.917680419436639,0.9382067712973751,0.9123260914262216
EOS-2-25056,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cn4)cc3)n12,MROKATRJHIWQPF-UHFFFAOYSA-N,2,1,0.512,59,526,467.291,5.273,5,0.35,0.78,1.0,0.8860427660886848,0.8959032965526694,0.8936244945514358,0.9242683846206565,0.8999597354533617
EOS-2-25057,Fc1cc(Cl)ccc1-c1cncc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,AUJFATYYFSILFB-UHFFFAOYSA-N,2,1,0.523,59,137,467.291,5.273,5,0.328,0.79,1.0,0.7089986978274279,0.8634517853471317,0.9214755671304229,0.9464481529710095,0.860093550818998
EOS-2-25058,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1Cl,NYHALKJTGVUPRP-UHFFFAOYSA-N,2,1,0.571,59,71,467.291,5.273,5,0.35,0.61,0.985,0.7117743814680282,0.8411520800493455,0.8983962716743198,0.9339061750394079,0.8463072270577753
EOS-2-25059,Fc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1,VNUNKAYPSMLAHC-UHFFFAOYSA-N,2,1,0.575,97,992,467.291,5.273,5,0.328,0.73,1.0,0.9413422657802755,0.9550921801110274,0.8974025083955863,0.9305479405112741,0.9310962236995408
EOS-2-25060,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)ccc1Cl,KKSNMDGRGWUXSB-UHFFFAOYSA-N,2,1,0.536,59,801,467.291,5.273,5,0.35,0.76,1.0,0.8337673908573778,0.9264700842985402,0.9241741484476732,0.9448290041806593,0.9073101569460627
EOS-2-25061,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)c(Cl)c3)n12,DNGPPKXJPLTNIV-UHFFFAOYSA-N,2,1,0.524,97,91,467.291,5.273,5,0.328,0.76,1.0,0.9375985196353916,0.9313103968199575,0.9508515523267768,0.963145089438695,0.9457263895552053
EOS-2-25062,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(Cl)c5)c4)n23)ccc1Cl,XHHUCVDDVYDISK-UHFFFAOYSA-N,2,1,0.566,59,89,467.291,5.273,5,0.328,0.72,1.0,0.9714378726612295,0.9768950037694469,0.9442207525186759,0.9551607155095607,0.9619285861147283
EOS-2-25063,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)cc4)c3)n12,XFZLXAARDAFYHE-UHFFFAOYSA-N,2,1,0.483,59,137,467.291,5.273,5,0.35,0.8,1.0,0.7888167363443218,0.8411606469741622,0.912831539990405,0.945608594338976,0.8721043794119663
EOS-2-25064,Fc1cc(-c2nnc3cncc(OCc4cc(Cl)cc(Cl)n4)n23)ccc1-c1ccccn1,UHPWRNBXVCRPQY-UHFFFAOYSA-N,2,1,0.583,34,71,467.291,5.273,5,0.328,0.8,1.0,0.8616270303611816,0.9026283325337536,0.8961431704475361,0.9252278802001234,0.8964066033856487
EOS-2-25065,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ncccc1Cl,CVLYGVDIQNODJD-UHFFFAOYSA-N,2,1,0.588,34,929,467.291,5.273,5,0.35,0.71,1.0,0.9323127270235076,0.9720546912480296,0.8410921115756288,0.9010777191419368,0.9116343122472756
EOS-2-25066,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1Cl,RKDJHOJWZYALHO-UHFFFAOYSA-N,2,1,0.736,43,613,467.291,5.273,5,0.35,0.83,1.0,0.9806473168391474,0.9783513809882805,0.9374957165375917,0.9512541977931601,0.9619371530395449
EOS-2-25067,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)cc1Cl,BIPYESDWESBIDF-UHFFFAOYSA-N,2,1,0.5,59,137,467.291,5.273,5,0.35,0.75,1.0,0.7888253032691385,0.8606418340072648,0.9360736070180248,0.9570797066684943,0.8856551127407305
EOS-2-25068,COc1cc(-c2cncc(Cl)n2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,GRZQAEUFRBUJNU-UHFFFAOYSA-N,2,1,0.402,96,46,467.291,5.37,5,0.354,0.68,1.0,0.6166129806044822,0.7302789390720307,0.9233945582893565,0.9356966623260914,0.8014957850729902
EOS-2-25069,Cc1ncc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c(Oc2ccc(Cl)cc2)n1,GSRGIIUKKZXFIX-UHFFFAOYSA-N,2,1,0.422,45,102,467.291,5.795,5,0.333,0.76,1.0,0.6935353985333425,0.8720272770886163,0.9040333082036872,0.9294428072099239,0.8497596977588924
EOS-2-25070,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccnc(Cl)c1,WZFBRWFJRCGCPY-UHFFFAOYSA-N,2,1,0.541,34,929,467.291,5.273,5,0.328,0.78,1.0,0.9221009526420396,0.9752672880542801,0.8984048385991364,0.9305565074360908,0.9315823966828867
EOS-2-25071,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)cc1Cl,GLIQDIVWAQNTDF-UHFFFAOYSA-N,2,1,0.524,59,469,467.291,5.273,5,0.35,0.73,1.0,0.8786152422726338,0.9133284216297718,0.9214841340552395,0.9399287231855253,0.9133391302857926
EOS-2-25072,Fc1ccnc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)c(Cl)c5)c4)n23)c1,HFQAWTRCKJPQDH-UHFFFAOYSA-N,2,1,0.541,59,137,467.291,5.273,5,0.35,0.77,1.0,0.7362329518196148,0.8606504009320814,0.9389092591323418,0.9577222260297443,0.8733787094784456
EOS-2-25073,Fc1cc(Cl)ccc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,XOCBAKPDPGWHPF-UHFFFAOYSA-N,2,1,0.561,59,137,467.291,5.273,5,0.35,0.73,1.0,0.7514135425947502,0.8776214789939003,0.9309762867521074,0.9530875197039271,0.8782747070111712
EOS-2-25074,Fc1cc(-c2nnc3cncc(OCc4cc(Cl)cc(Cl)n4)n23)ccc1-c1cccnc1,FJGBBZZBGQNOFU-UHFFFAOYSA-N,2,1,0.593,97,71,467.291,5.273,5,0.328,0.76,1.0,0.7888338701939552,0.8908316770612021,0.9194537728736892,0.9424730998560756,0.8853981049962305
EOS-2-25075,Fc1ccc(Cl)cc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,FVZWSKSTWFPANF-UHFFFAOYSA-N,2,1,0.562,34,372,467.291,5.273,5,0.35,0.78,1.0,0.9385665821396751,0.9773490507847303,0.905095606880954,0.944837571105476,0.9414622027277089
EOS-2-25076,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5Cl)cc4)n23)c1,DGOFUSONKJWVAJ-UHFFFAOYSA-N,2,1,0.573,1,22,467.291,5.273,5,0.328,0.69,1.0,0.8638458638886986,0.9191110958810226,0.9176889863614557,0.9365876225070249,0.9093083921595504
EOS-2-25077,Cc1ccc(-c2cc(F)c(Cl)cc2F)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,SYSFJQKSTRTAEC-UHFFFAOYSA-N,2,1,0.405,83,533,467.306,7.019,5,0.268,0.67,1.0,0.5819940374203276,0.8445874169008293,0.9935148379137825,0.9983637173600165,0.854615002398739
EOS-2-25078,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)cc2)no1,BEFLZGPRBVHSMF-UHFFFAOYSA-N,2,1,0.649,91,273,467.316,5.078,5,0.344,0.75,1.0,0.8337759577821945,0.8660218627921321,0.6927386745253924,0.7372438489479817,0.7824450860119251
EOS-2-25079,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cc2)o1,XCABFRLJNRUVRH-UHFFFAOYSA-N,2,1,0.757,91,781,467.316,5.078,5,0.344,0.81,1.0,0.9333321910766911,0.9228976766499897,0.7315982454937976,0.7579329723802344,0.8364402714001782
EOS-2-25080,COc1cc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1ccn(C)n1,RUDYEOJRFZYSRF-UHFFFAOYSA-N,2,1,0.5,13,209,467.316,5.3,5,0.349,0.74,1.0,0.4955366321705161,0.6385357412103352,0.8615670618874649,0.8356521143170448,0.7078228873963403
EOS-2-25081,Cc1ncc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)o1,ADTAHMZBTNBFPF-UHFFFAOYSA-N,2,1,0.57,35,669,467.316,5.078,5,0.322,0.72,1.0,0.8592025906380646,0.8660304297169488,0.7468987732163662,0.757941539305051,0.8075183332191077
EOS-2-25082,COc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5Cl)cc4)n23)ccc1Cl,GBIWGTBMRHLLPQ-UHFFFAOYSA-N,2,1,0.541,97,67,467.316,4.871,5,0.355,0.77,1.0,0.8158368172160921,0.7953361661298061,0.8889212528270852,0.8641714070317319,0.8410664108011789
EOS-2-25083,COc1cccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)c(Cl)c5)n(C)n4)n23)c1,KJGJQHLEAHWKRO-UHFFFAOYSA-N,2,1,0.462,13,266,467.316,5.3,5,0.349,0.78,1.0,0.39951853882530325,0.4749931464601467,0.822159207730793,0.8256031115070934,0.6305685011308341
EOS-2-25084,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(Cl)c2)co1,KNOACBGQQBFJIS-UHFFFAOYSA-N,2,1,0.517,11,684,467.316,5.078,5,0.344,0.72,1.0,0.777568364060037,0.7744071688026866,0.6736858337331232,0.710386539647728,0.7340119765608937
EOS-2-25085,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2Cl)cn1,NLRQRRFDDZOHOX-UHFFFAOYSA-N,2,1,0.453,87,814,467.32,3.91,5,0.35,0.65,1.0,0.5519069974641903,0.5109056952916181,0.4937033102597492,0.552763689945857,0.5273199232403536
EOS-2-25086,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1ccc(Cl)cc1,PTALVQDTMUJZDP-UHFFFAOYSA-N,2,1,0.467,95,266,467.32,3.91,5,0.374,0.7,1.0,0.49554519909533273,0.5480775820711398,0.3566924816667809,0.502989856761017,0.47582627989856763
EOS-2-25087,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(Cl)c5)n34)cc2)n1,SLMOMQATKSQKIM-UHFFFAOYSA-N,2,1,0.561,15,320,467.32,3.91,5,0.35,0.67,1.0,0.7718113905832362,0.7831454321156878,0.5216057843876362,0.5563103968199575,0.6582182509766294
EOS-2-25088,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1cncc(Cl)c1,WKDYQXJTSKXQLB-UHFFFAOYSA-N,2,1,0.443,95,235,467.32,3.91,5,0.374,0.72,0.966,0.4520166541018436,0.38939243369200194,0.4301281611952574,0.5496110616133233,0.4552870776506066
EOS-2-25089,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ccc2Cl)n1,JAIAFNDBXZTKBZ-UHFFFAOYSA-N,2,1,0.494,37,125,467.32,3.91,5,0.374,0.63,1.0,0.5909036392296622,0.7660886848057021,0.42658145432115685,0.5260434514426702,0.5774043074497979
EOS-2-25090,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c(Cl)c1,HSQBDQDCOFSAHX-UHFFFAOYSA-N,2,1,0.54,37,79,467.32,3.91,5,0.374,0.69,1.0,0.6108988417517648,0.6338839010348846,0.5814543211568776,0.6645449249537386,0.6226954972243164
EOS-2-25091,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccc(Cl)nc1,PTQNFYWCZRPXBR-UHFFFAOYSA-N,2,1,0.458,95,235,467.32,3.91,5,0.35,0.65,0.999,0.45429545610307726,0.4621598930847783,0.43013672812007403,0.5228137207867863,0.467351449523679
EOS-2-25092,Cc1cc(-c2nnc3cncc(OCc4nc(Cl)ccc4Cl)n23)ccc1-c1cnn(C)n1,AUQBKVQSCQDXMR-UHFFFAOYSA-N,2,1,0.462,36,554,467.32,4.176,5,0.358,0.71,1.0,0.4784713179357138,0.6007813035432801,0.5318175587691042,0.5659396203138921,0.5442524501404975
EOS-2-25093,Cn1nc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)cc1-c1ccc(Cl)cc1,BPIJLNXWWYKNBF-UHFFFAOYSA-N,2,1,0.472,95,835,467.32,3.91,5,0.35,0.72,1.0,0.48580460557878147,0.5068792406277842,0.31196456719895826,0.4595384140908779,0.4410467068741004
EOS-2-25094,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1Cl,LUXZXOMLMPGMBK-UHFFFAOYSA-N,2,1,0.446,31,773,467.32,3.91,5,0.35,0.6,1.0,0.6332756493729012,0.5340620930710712,0.5216143513124529,0.5692207525186759,0.5645432115687753
EOS-2-25095,Cc1c(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5Cl)n34)cn2)cnn1C,AXRWPKLBKNBLOO-UHFFFAOYSA-N,2,1,0.44,55,564,467.32,4.176,5,0.383,0.72,1.0,0.46100335823452815,0.4929494208758824,0.5814628880816942,0.5969090535261462,0.5330811801795627
EOS-2-25096,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)cc1,QQOKEIUSJGJHGF-UHFFFAOYSA-N,2,1,0.582,37,559,467.32,3.91,5,0.374,0.57,1.0,0.6392382290453019,0.667911726406689,0.5654941402234254,0.6445325885820026,0.6292941710643547
EOS-2-25097,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4nc(Cl)ccc4Cl)n23)ccn1,QNCKQKPUARUHBP-UHFFFAOYSA-N,2,1,0.433,75,624,467.32,4.351,5,0.343,0.74,1.0,0.4218696456719896,0.4836286066753478,0.48015900212459733,0.5298300322116373,0.47887182167089304
EOS-2-25098,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccc(Cl)nc1,QKRLBGOIILZHPE-UHFFFAOYSA-N,2,1,0.454,95,235,467.32,3.91,5,0.35,0.68,0.994,0.4587502570077445,0.45317318895209374,0.4377013227331917,0.5396220272770886,0.4723116989925296
EOS-2-25099,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(Cl)n2)c1,LBPMGXBUTGEYQM-UHFFFAOYSA-N,2,1,0.517,58,271,467.32,3.91,5,0.35,0.56,1.0,0.7861267219518882,0.7613768761565348,0.4903964772805154,0.5396305942019053,0.6443826673977109
EOS-2-25100,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cncc(Cl)c1,YAKDAMCSNSDJCV-UHFFFAOYSA-N,2,1,0.451,95,493,467.32,3.91,5,0.374,0.69,0.997,0.45202522102666026,0.4130628469604551,0.48016756904941404,0.5910321431019121,0.4840719450346104
EOS-2-25101,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5Cl)n34)cn2)n1,JIHZOIXIWQSJAV-UHFFFAOYSA-N,2,1,0.505,65,265,467.32,3.91,5,0.374,0.62,1.0,0.6480021931327531,0.6484562401480365,0.5454218353779727,0.596917620450963,0.6096994722774314
EOS-2-25102,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)nc(Cl)c5)n34)cn2)c1,IWPFGHAYSWDOOI-UHFFFAOYSA-N,2,1,0.539,58,981,467.32,3.91,5,0.35,0.64,1.0,0.8083321910766911,0.7487149612774998,0.5286135288876704,0.5563189637447742,0.6604949112466589
EOS-2-25103,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2Cl)n1,YUEDQKSNFCBXMA-UHFFFAOYSA-N,2,1,0.5,20,279,467.32,3.91,5,0.374,0.58,1.0,0.6247601261051333,0.6825783016928243,0.4763381536563635,0.5527722568706737,0.5841122095812488
EOS-2-25104,Cn1cc(-c2cnc(Cl)c(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,WLVOAJCVJZNXDH-UHFFFAOYSA-N,2,1,0.512,65,669,467.32,3.91,5,0.35,0.65,1.0,0.5792012199300939,0.610376259337948,0.6100335823452814,0.6268076211363169,0.6066046706874101
EOS-2-25105,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(Cl)n2)cn1,VJDJMPGRQMINFJ-UHFFFAOYSA-N,2,1,0.451,55,468,467.32,4.351,5,0.343,0.65,1.0,0.4520337879514769,0.46216846000959494,0.5041806593105339,0.5527808237954903,0.492790932766774
EOS-2-25106,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1cncc(Cl)c1,BEYUWLYTVJSKLH-UHFFFAOYSA-N,2,1,0.462,95,493,467.32,3.91,5,0.35,0.71,1.0,0.4610119251593448,0.417731820985539,0.4872438489479816,0.57538037146186,0.4853419916386814
EOS-2-25107,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)nc1,FBKFQDUSACOBCK-UHFFFAOYSA-N,2,1,0.463,84,672,467.32,3.91,5,0.374,0.67,1.0,0.5031097937084504,0.5384826262764718,0.5687667055033925,0.6529624426016037,0.5658303920224796
EOS-2-25108,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)c1,UWKKSCNCHGBWQR-UHFFFAOYSA-N,2,1,0.545,84,35,467.32,3.91,5,0.374,0.65,1.0,0.4931378932218491,0.557329860873141,0.6248029607292166,0.6991895689123432,0.5936150709341375
EOS-2-25109,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4Cl)n23)cn1,SMHLPUKTQGNPOC-UHFFFAOYSA-N,2,1,0.511,58,981,467.32,3.91,5,0.35,0.68,1.0,0.7273404838599137,0.6825868686176411,0.5185216914536358,0.5592831197313413,0.621933040915633
EOS-2-25110,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)cc1,BCDGKXRLROQOGA-UHFFFAOYSA-N,2,1,0.605,37,559,467.32,3.91,5,0.374,0.67,1.0,0.7392827770543485,0.6876156534850251,0.5007110547597834,0.5818569666232609,0.6273666129806044
EOS-2-25111,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccc(Cl)nc1,RIHMTZBGBQGBIU-UHFFFAOYSA-N,2,1,0.442,95,493,467.32,3.91,5,0.35,0.73,0.999,0.47070968405181274,0.46217702693441165,0.48725241587279833,0.5785929682681105,0.4996830237817833
EOS-2-25112,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1Cl,WROXTQODNUBYRX-UHFFFAOYSA-N,2,1,0.581,37,626,467.32,3.91,5,0.35,0.68,1.0,0.7831625659653211,0.7831539990405044,0.531826125693921,0.6060842300047975,0.676056730176136
EOS-2-25113,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1Cl,ODJXSAUDLBJKAC-UHFFFAOYSA-N,2,1,0.511,37,639,467.32,3.91,5,0.35,0.66,1.0,0.6847714344458913,0.7397539579192653,0.4230433143718731,0.522822287711603,0.5925977486121582
EOS-2-25114,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)c1,QUTXHBCLFUWIGX-UHFFFAOYSA-N,2,1,0.488,16,980,467.32,4.351,5,0.366,0.7,1.0,0.34271126036597904,0.40825680213830445,0.43409464738537457,0.539639161126722,0.431175467754095
EOS-2-25115,Cn1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1-c1ccc(Cl)cc1,LKFLANDMQDVTLV-UHFFFAOYSA-N,2,1,0.517,37,482,467.32,3.91,5,0.374,0.66,1.0,0.5181618806113357,0.6338924679597012,0.36412857240764857,0.5131073949695018,0.5073225789870468
EOS-2-25116,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)ncn1,JSRXBFSAWXJIAE-UHFFFAOYSA-N,2,1,0.447,44,481,467.32,3.91,5,0.374,0.64,0.951,0.5682783907888425,0.49295798780069905,0.5814714550065109,0.647436776094853,0.5725361524227264
EOS-2-25117,Cc1cc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cn5)n4C)n23)ccc1Cl,PLEHHQGEVJQSHG-UHFFFAOYSA-N,2,1,0.483,36,404,467.32,4.176,5,0.383,0.74,1.0,0.4807329860873141,0.6972877116030429,0.3082465218285244,0.4720032896991296,0.48956762730450276
EOS-2-25118,CCn1cc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)cn1,WEJDGBJZUIIKDO-UHFFFAOYSA-N,2,1,0.471,92,980,467.32,4.351,5,0.366,0.71,1.0,0.37260982797614967,0.3894010006168186,0.5754660407100267,0.6153879103556987,0.48821619491467344
EOS-2-25119,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cncc(Cl)c1,YPLYNXMSDZTRFS-UHFFFAOYSA-N,2,1,0.457,95,493,467.32,3.91,5,0.35,0.71,1.0,0.47847988486053045,0.4082653690631211,0.4971215132615996,0.5910407100267288,0.493726869302995
EOS-2-25120,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnc4Cl)n23)cn1,LOMBPDDWXSRAMZ-UHFFFAOYSA-N,2,1,0.516,65,981,467.32,3.91,5,0.35,0.61,1.0,0.7632273319169351,0.6972962785278597,0.5318346926187376,0.5786015351929271,0.6427399595641149
EOS-2-25121,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1Cl,YAGSPZNMNZROOE-UHFFFAOYSA-N,2,1,0.583,37,669,467.32,3.91,5,0.35,0.73,1.0,0.7802840792269207,0.8511668151600301,0.5149664176547186,0.5969261873757796,0.6858358748543623
EOS-2-25122,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1Cl,CIABWCSIBAIIKN-UHFFFAOYSA-N,2,1,0.563,37,563,467.32,3.91,5,0.374,0.69,1.0,0.6935439654581591,0.753066959084367,0.45913576862449457,0.5527893907203071,0.614634020971832
EOS-2-25123,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cncc(Cl)c1,YRAIHSJNADFBSI-UHFFFAOYSA-N,2,1,0.412,95,235,467.32,3.91,5,0.35,0.72,1.0,0.45204235487629363,0.379874580220684,0.3903861969707354,0.5061681858680008,0.4321178294839284
EOS-2-25124,Cn1ncnc1-c1ccc(Cl)c(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,BCECRKWABXTFPS-UHFFFAOYSA-N,2,1,0.522,37,563,467.32,3.91,5,0.374,0.67,0.993,0.6539305051058872,0.7530755260091837,0.4485213487766431,0.5463384963333562,0.6004664690562675
EOS-2-25125,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cnc1Cl,IJGUXMNKDIXOAS-UHFFFAOYSA-N,2,1,0.5,65,981,467.32,3.91,5,0.35,0.66,1.0,0.7392913439791653,0.734939346172298,0.49371187718456583,0.5333510383112878,0.6253234014118292
EOS-2-25126,CCn1cc(-c2cnc(Cl)c(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,JSZKSLRLMHGWQR-UHFFFAOYSA-N,2,1,0.43,2,36,467.32,4.351,5,0.343,0.68,1.0,0.4148362003975053,0.45749091905969436,0.5814800219313275,0.6124066205194983,0.5165534404770064
EOS-2-25127,CCn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)cn1,TZASQXAEBIIHMH-UHFFFAOYSA-N,2,1,0.5,73,399,467.32,4.351,5,0.366,0.76,1.0,0.46821670893016243,0.6876242204098417,0.5454304023027894,0.5999160441367967,0.5752968439448976
EOS-2-25128,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nc(Cl)n(C)n5)cn4)n23)ccc1Cl,AKPYUERGOHZWBV-UHFFFAOYSA-N,2,1,0.56,4,677,467.32,4.176,5,0.383,0.69,1.0,0.46102049208416146,0.6973048454526763,0.44146220272770886,0.48691830580494827,0.5216764615173738
EOS-2-25129,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cn1,QEOAVTRSGQVDPM-UHFFFAOYSA-N,2,1,0.687,84,360,467.32,3.91,5,0.374,0.8,1.0,0.848048454526763,0.7660972517305188,0.5113511753820849,0.5878709478445617,0.678341957370982
EOS-2-25130,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)ncn1,HMTLPQFLCMXQCR-UHFFFAOYSA-N,2,1,0.375,46,864,467.32,4.351,5,0.366,0.64,0.889,0.4610290590089781,0.4265728873963402,0.552198272907957,0.6268161880611336,0.5166541018436022
EOS-2-25131,Cn1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)cnc5Cl)n34)c2)n1,BNHNRECVFLFLOM-UHFFFAOYSA-N,2,1,0.412,18,88,467.32,3.91,5,0.35,0.61,1.0,0.5031183606332671,0.4487098211226098,0.4971300801864163,0.54961962853814,0.49964447262010825
EOS-2-25132,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1Cl,RQEJUXYPUGVOCZ-UHFFFAOYSA-N,2,1,0.517,37,639,467.32,3.91,5,0.35,0.7,1.0,0.7514221095195669,0.7661058186553354,0.4341032143101912,0.5396477280515386,0.6228197176341581
EOS-2-25133,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cnc1Cl,AMMJYGBCNJITCM-UHFFFAOYSA-N,2,1,0.516,87,579,467.32,3.91,5,0.374,0.66,1.0,0.7632358988417518,0.739762524844082,0.4301452950448907,0.48993386334041533,0.605769395517785
EOS-2-25134,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(Cl)c5)n34)cn2)cn1,DMFNHZCPDRQGOS-UHFFFAOYSA-N,2,1,0.446,55,468,467.32,4.351,5,0.343,0.67,1.0,0.4446405318346926,0.4795507504626139,0.5783873620725104,0.5910492769515455,0.5234069803303406
EOS-2-25135,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(Cl)ccc4Cl)n23)cc1,HRTXPNVPSRYCKM-UHFFFAOYSA-N,2,1,0.477,36,734,467.32,4.351,5,0.343,0.67,1.0,0.6392467959701186,0.6339010348845179,0.42305188129668975,0.5131159618943184,0.5523289185114111
EOS-2-25136,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)cn1,XIHUZOOBDQVHKM-UHFFFAOYSA-N,2,1,0.529,84,749,467.32,3.91,5,0.374,0.71,1.0,0.6997806867246933,0.707216777465561,0.4485299157014598,0.5592916866561579,0.6037047666369679
EOS-2-25137,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccc2Cl)n1,MECOWXRRRSRSJI-UHFFFAOYSA-N,2,1,0.494,20,279,467.32,3.91,5,0.374,0.64,1.0,0.6449695017476527,0.7831625659653211,0.4801761359742307,0.5626327873346584,0.6177352477554656
EOS-2-25138,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5nc(Cl)ccc5Cl)n34)ccn2)cn1,QNYKYOWVBLASLS-UHFFFAOYSA-N,2,1,0.478,75,329,467.32,3.91,5,0.35,0.63,1.0,0.5389623740662052,0.5619988348982249,0.487260982797615,0.5496281954629566,0.5344625968062504
EOS-2-25139,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)c1,YWXWTFDCFKQAPO-UHFFFAOYSA-N,2,1,0.379,46,211,467.32,4.351,5,0.366,0.65,1.0,0.435345418408608,0.36540504420533204,0.5783959289973272,0.6212134192310328,0.5000899527105751
EOS-2-25140,Cc1cc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)nn2C)ccn1,BFBBKGGXBSQFFZ-UHFFFAOYSA-N,2,1,0.424,95,980,467.32,4.176,5,0.383,0.67,1.0,0.3773644712494003,0.3559985607566308,0.5488057706805565,0.5941505037351792,0.4690798266054417
EOS-2-25141,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cc(Cl)n(C)n5)cn4)n23)ccc1Cl,LVNVXAKXWRKPDS-UHFFFAOYSA-N,2,1,0.472,4,212,467.32,4.176,5,0.383,0.66,1.0,0.44963504900280993,0.6581454321156878,0.5286220958124872,0.5786101021177438,0.5537531697621821
EOS-2-25142,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)nc1,KXQPRWFBIDPERF-UHFFFAOYSA-N,2,1,0.468,84,672,467.32,3.91,5,0.374,0.8,1.0,0.6392553628949352,0.6432646837091358,0.49713864711123296,0.6060927969296142,0.5964378726612296
EOS-2-25143,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccnc(Cl)c1,IWYKWRUKGBDQIS-UHFFFAOYSA-N,2,1,0.461,95,493,467.32,3.91,5,0.35,0.71,1.0,0.4543040230278939,0.37519703927078335,0.5041892262353506,0.5818655335480776,0.47888895552052635
EOS-2-25144,Cn1ccnc1-c1cnc(Cl)c(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,CGMUTCKOAJYAQS-UHFFFAOYSA-N,2,1,0.506,65,552,467.32,3.91,5,0.35,0.62,1.0,0.6757590295387568,0.6825954355424577,0.46982729079569596,0.5228308546364198,0.5877531526283326
EOS-2-25145,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ccc5Cl)n34)cn2)cn1,DANRXIBYTXTZEF-UHFFFAOYSA-N,2,1,0.411,92,468,467.32,4.351,5,0.343,0.71,1.0,0.39744534301966966,0.5249725858405867,0.4698358577205126,0.5163799602494689,0.4771584367075594
EOS-2-25146,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cccc(Cl)n1,DTTOUWHOOUQLON-UHFFFAOYSA-N,2,1,0.417,95,954,467.32,3.91,5,0.35,0.66,0.999,0.43535398533342473,0.39884175176478653,0.3047426495785073,0.4217839764238229,0.3901805907751354
EOS-2-25147,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2Cl)n1,RHQBDWNXLXGMBR-UHFFFAOYSA-N,2,1,0.448,31,237,467.32,3.91,5,0.35,0.61,1.0,0.5415410184360222,0.5249811527654034,0.41155506819272153,0.48420259063806453,0.4905699575080529
EOS-2-25148,Cn1nc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)cc1-c1ccc(Cl)cc1,SNXWNIPSIXJJGN-UHFFFAOYSA-N,2,1,0.529,95,835,467.32,3.91,5,0.35,0.69,0.998,0.5389709409910218,0.5068878075526009,0.4341117812350079,0.5333596052361045,0.5033325337536838
EOS-2-25149,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1Cl,DZTJYLBUSIDNMI-UHFFFAOYSA-N,2,1,0.588,37,626,467.32,3.91,5,0.35,0.65,1.0,0.8313686519087109,0.8233414433554931,0.5420807346994723,0.6239548351723665,0.7051864162840107
EOS-2-25150,Cc1cc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ccc4Cl)n23)ccc1Cl,XZBCSZGESHFUGH-UHFFFAOYSA-N,2,1,0.543,43,258,467.32,4.176,5,0.383,0.77,1.0,0.6136659584675485,0.7661143855801521,0.6333441847714344,0.7211894318415462,0.6835784901651702
EOS-2-25151,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(Cl)n1,JEGOYKHYVYUKHQ-UHFFFAOYSA-N,2,1,0.511,58,578,467.32,3.91,5,0.35,0.54,1.0,0.7660544171064355,0.6581539990405044,0.4115636351175382,0.4749246110616133,0.5776741655815228
EOS-2-25152,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1Cl,PLOKPYPMWPZAMW-UHFFFAOYSA-N,2,1,0.552,37,563,467.32,3.91,5,0.374,0.7,1.0,0.7660629840312522,0.7916695223082723,0.4662034815982455,0.5692293194434925,0.6482913268453157
EOS-2-25153,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(Cl)c1,OFHQBUFTSLCLNE-UHFFFAOYSA-N,2,1,0.495,37,589,467.32,3.91,5,0.374,0.62,1.0,0.5467068741004729,0.6339096018093345,0.5286306627373039,0.6268247549859502,0.5840179734082653
EOS-2-25154,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)ncc4Cl)n23)c1,IXENCFUASPUHSN-UHFFFAOYSA-N,2,1,0.545,15,931,467.32,3.91,5,0.35,0.67,1.0,0.5909122061544788,0.5868172160921116,0.508018641628401,0.5723305462271263,0.5645196525255294
EOS-2-25155,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cc(Cl)n5)n34)cc2)n1,IIVLTNKVBRYWID-UHFFFAOYSA-N,2,1,0.54,15,320,467.32,3.91,5,0.35,0.67,1.0,0.7454166952230827,0.7702522102666027,0.43412034815982453,0.4930093893495991,0.6106996607497773
EOS-2-25156,CCn1cncc1-c1cnc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1Cl,ONDGGBQCHOCMSV-UHFFFAOYSA-N,2,1,0.412,46,62,467.32,4.351,5,0.343,0.61,0.995,0.5031269275580837,0.439962990884792,0.5847782879857446,0.6153964772805154,0.535816170927284
EOS-2-25157,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cc1Cl,BGGJJMFPXJAVND-UHFFFAOYSA-N,2,1,0.533,58,578,467.32,3.91,5,0.35,0.63,1.0,0.7060259749160441,0.7487235282023165,0.49040504420533204,0.5433315057227058,0.6221215132615996
EOS-2-25158,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5c(Cl)cncc5Cl)n34)c2)n1,QQPWESREJYQOCB-UHFFFAOYSA-N,2,1,0.5,2,559,467.32,3.91,5,0.374,0.56,1.0,0.5415495853608389,0.552583784524707,0.5687752724282091,0.6239634020971832,0.5717180111027346
EOS-2-25159,Cc1c(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nn(C)c1Cl,KDVZVAYLLAUWGX-UHFFFAOYSA-N,2,1,0.615,16,772,467.32,4.176,5,0.383,0.65,1.0,0.6419539442121855,0.7661229525049689,0.3010503049825235,0.4182629703241724,0.5318475430059626
EOS-2-25160,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(Cl)c5)n34)cn2)[nH]1,YEMZFNBYXTXARF-UHFFFAOYSA-N,2,1,0.462,55,283,467.32,4.474,5,0.38,0.68,1.0,0.5909207730792955,0.5762627647179769,0.5420893016242889,0.5396562949763553,0.5622322835994791
EOS-2-25161,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)nc1,FNIWMGFUDBGOJS-UHFFFAOYSA-N,2,1,0.409,46,332,467.32,4.351,5,0.366,0.7,1.0,0.47848845178534716,0.5156774724145021,0.462733877047495,0.5818741004728942,0.5096934754300597
EOS-2-25162,Cc1cc(F)cc(-c2nn(C)c(C)c2-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1,PJPCEHIWFBKGON-UHFFFAOYSA-N,2,1,0.385,45,252,467.335,5.922,5,0.331,0.69,1.0,0.15261119868412035,0.4444349256390926,0.8364402714001782,0.89975841272017,0.5833112021108903
EOS-2-25163,N#Cc1c(Cl)ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1Cl,KEAIWNDTAOLPLZ-UHFFFAOYSA-N,2,1,0.471,90,555,432.658,3.992,4,0.48,0.69,1.0,0.7273490507847303,0.907314440408471,0.8754968816393668,0.9200448906860393,0.8575513158796519
EOS-2-25164,Cn1c(C=NO)nnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)nc1F,VIVXTJKLXKYKGA-UHFFFAOYSA-N,2,1,0.374,13,251,467.371,3.0,5,0.181,0.57,1.0,0.4981152765403331,0.4882633130011651,0.3529658693715304,0.36141285724076483,0.42518932903844836
EOS-2-25165,Fc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)nc1-c1cccnn1,RIZRVSDHGCLEPX-UHFFFAOYSA-N,2,1,0.423,51,196,467.371,2.753,5,0.353,0.69,0.871,0.7775769309848537,0.8307518333219107,0.4971472140360496,0.44991775752176,0.6388484339661435
EOS-2-25166,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)cnc1OC(F)F,NSHHUJCSXPXMQX-UHFFFAOYSA-N,2,1,0.427,7,212,467.371,2.753,5,0.353,0.65,1.0,0.6695994105955726,0.7349479130971147,0.5754746076348434,0.49913474059351653,0.6197891679802618
EOS-2-25167,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(OC(F)F)cn5)n34)n2)cn1,OJKLPLFLNFNMBN-UHFFFAOYSA-N,2,1,0.402,7,94,467.371,2.753,5,0.353,0.61,1.0,0.6634826262764718,0.7302875059968473,0.6070865602083476,0.5364522650949215,0.634327239394147
EOS-2-25168,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cc1,AOZAOCMMARPPNK-UHFFFAOYSA-N,2,1,0.573,57,848,467.381,6.448,5,0.288,0.8,1.0,0.9376070865602083,0.947647522445343,0.894935234048386,0.9390891645534919,0.9298197519018573
EOS-2-25169,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5OC(F)(F)F)cc4)n23)cn1,RXOWIHPYVREYSQ-UHFFFAOYSA-N,2,1,0.512,1,528,467.382,5.683,5,0.245,0.75,1.0,0.9424216983071757,0.9429528476458091,0.9912617366869988,0.9829261188403811,0.9648906003700911
EOS-2-25170,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cnc(F)c(F)c1,GEJJEYQRAIHAMD-UHFFFAOYSA-N,2,1,0.489,13,209,467.382,5.211,5,0.261,0.71,1.0,0.9300424919470907,0.9026368994585704,0.9797991912822973,0.9678226303885957,0.9450753032691386
EOS-2-25171,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)c(F)c1,DXAXNEDIYJNXHK-UHFFFAOYSA-N,2,1,0.638,59,13,467.382,5.114,5,0.323,0.78,1.0,0.9580649030224111,0.9577650606538277,0.9795593173874306,0.9728514152559797,0.9670601740799123
EOS-2-25172,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(C(F)(F)F)n4)n23)n1,DXMGVTPWDXXCBH-UHFFFAOYSA-N,2,1,0.462,27,122,467.386,4.38,5,0.28,0.68,1.0,0.7660715509560688,0.7661315194297855,0.9061750394078542,0.8177215406757591,0.8140249126173669
EOS-2-25173,Fc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)ccn1,PODKXHYKEHMEDU-UHFFFAOYSA-N,2,1,0.472,27,679,467.386,4.38,5,0.28,0.69,1.0,0.9311818929477075,0.9264786512233568,0.9680025358097457,0.9305650743609074,0.9390570385854293
EOS-2-25174,Fc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)n2)cc1,GETOJKLCVVTFCW-UHFFFAOYSA-N,2,1,0.506,34,146,467.386,4.438,5,0.341,0.61,1.0,0.8592111575628812,0.9429614145706258,0.920387567678706,0.9210729216640394,0.9109082653690631
EOS-2-25175,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)c(F)c1F,MIAURNSPBYSMAP-UHFFFAOYSA-N,2,1,0.454,84,442,467.386,3.821,5,0.213,0.58,1.0,0.8363117675279281,0.8376482077993284,0.9194623397985059,0.9032280172709204,0.8741625830991706
EOS-2-25176,Fc1cc(F)c(CCOc2cncc3nnc(-c4cnnc(-c5ccc(F)nc5)c4)n23)c(F)c1,OBECQPHRAIBPOZ-UHFFFAOYSA-N,2,1,0.5,88,778,467.386,3.821,5,0.277,0.54,1.0,0.8409893084778288,0.8691830580494826,0.9072459050099376,0.9045216229182372,0.8804849736138716
EOS-2-25177,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)ccc1C(F)(F)F,MLJHZMFAVGZUNZ-UHFFFAOYSA-N,2,1,0.535,27,770,467.386,4.38,5,0.354,0.71,1.0,0.9469450346103763,0.9229062435748064,0.9693389760811459,0.9231718182441231,0.9405905181276129
EOS-2-25178,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)c1,CLWSHBOUYDHTHJ-UHFFFAOYSA-N,2,1,0.478,27,343,467.386,4.38,5,0.354,0.73,1.0,0.9032879857446371,0.9133369885545884,0.9749931464601467,0.9464567198958262,0.9345187101637995
EOS-2-25179,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)ccc1C(F)(F)F,QSRAEHSFBCGXRP-UHFFFAOYSA-N,2,1,0.547,27,343,467.386,4.38,5,0.354,0.71,1.0,0.8786238091974505,0.9191196628058392,0.9633678294839284,0.917860324857789,0.9197429065862519
EOS-2-25180,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)cn1,LNERIKBLRHEOSD-UHFFFAOYSA-N,2,1,0.483,27,343,467.386,4.38,5,0.28,0.75,1.0,0.8804999657323007,0.8854430813515181,0.9746247686930299,0.9440065793982592,0.9211435987937769
EOS-2-25181,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)n4)n23)c1F,MWZYLVVAZNSVIA-UHFFFAOYSA-N,2,1,0.452,84,442,467.386,3.821,5,0.213,0.57,1.0,0.8212768144746762,0.8481769583990131,0.8742118429168666,0.867392570762799,0.8527645466383388
EOS-2-25182,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nc2)cn1,RGWJLXBQFFRZJZ-UHFFFAOYSA-N,2,1,0.518,27,679,467.386,4.38,5,0.28,0.78,1.0,0.952547803440477,0.9401086286066753,0.9750017133849633,0.9424816667808923,0.952534953053252
EOS-2-25183,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nc2)c1,SKAOYDVZQMWWMO-UHFFFAOYSA-N,2,1,0.545,27,988,467.386,4.38,5,0.354,0.82,1.0,0.8681293262970324,0.929776917277774,0.9527619765608937,0.9045301898430539,0.9137996024946885
EOS-2-25184,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)c1,XTKBUOQHMFEUEM-UHFFFAOYSA-N,2,1,0.538,27,430,467.386,4.38,5,0.354,0.79,1.0,0.9424302652319924,0.9229148104996231,0.9684223151257625,0.9190082927832225,0.9381939209101501
EOS-2-25185,Fc1cncc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncc2F)c1,BDMIKUHCWIKWSD-UHFFFAOYSA-N,2,1,0.5,27,69,467.386,4.438,5,0.341,0.65,1.0,0.8083407580015077,0.8934617229799191,0.9416678089233089,0.9133626893290384,0.8892082448084436
EOS-2-25186,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cn5)n34)nc2)c1,RBCAJAMCUXNNSI-UHFFFAOYSA-N,2,1,0.462,27,119,467.386,4.38,5,0.354,0.76,1.0,0.6602957302446714,0.7209495579466795,0.97501028030978,0.9464652868206429,0.8256802138304433
EOS-2-25187,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)c(F)c5)n34)n2)nc1,CYZZZEFRTLQNGP-UHFFFAOYSA-N,2,1,0.452,27,343,467.386,4.438,5,0.341,0.64,1.0,0.8363203344527449,0.8634603522719485,0.9317644438352409,0.9090021245973545,0.8851368137893223
EOS-2-25188,Fc1nc(C(F)(F)F)ccc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,YBDIEZZDOLMKNM-UHFFFAOYSA-N,2,1,0.478,27,348,467.386,4.38,5,0.28,0.72,1.0,0.8999811527654034,0.8039887601946405,0.9472277431293263,0.87492289767665,0.8815301384415051
EOS-2-25189,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)n2)cc1,NMPYINTYTLCQNH-UHFFFAOYSA-N,2,1,0.533,27,343,467.386,4.38,5,0.354,0.82,1.0,0.7916266876841889,0.9073230073332876,0.9565142896305942,0.910201494071688,0.8914163696799398
EOS-2-25190,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(F)ccc(F)c5F)n34)cn2)cn1,FKUQSMWJBSXTNK-UHFFFAOYSA-N,2,1,0.538,84,749,467.386,3.821,5,0.213,0.65,1.0,0.9260331711328902,0.9539784798848605,0.9029967103008704,0.8819477760263176,0.9162390343362347
EOS-2-25191,Fc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)cc1F,NGTWOSACGPGLOV-UHFFFAOYSA-N,2,1,0.523,43,679,467.386,4.438,5,0.341,0.68,1.0,0.9495236789801933,0.955100747035844,0.9348656706188746,0.9294513741347405,0.9422353676924131
EOS-2-25192,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)cc1C(F)(F)F,YHYQYAKTWFJNLC-UHFFFAOYSA-N,2,1,0.541,27,817,467.386,4.38,5,0.354,0.69,1.0,0.8823589884175177,0.9191282297306559,0.9841083544650813,0.957088273593311,0.9356709615516414
EOS-2-25193,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nc2)c1,XZIJENYZWOOMFJ-UHFFFAOYSA-N,2,1,0.556,27,69,467.386,4.38,5,0.354,0.77,1.0,0.8289699129600439,0.9113494619971215,0.9689791652388459,0.9223151257624563,0.9079034164896168
EOS-2-25194,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)n2)cn1,RATRGJVBLSQQIA-UHFFFAOYSA-N,2,1,0.528,27,69,467.386,4.38,5,0.28,0.77,1.0,0.8134209444177918,0.8908402439860188,0.9565228565554109,0.8943012816119525,0.8887713316427935
EOS-2-25195,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ncncn5)c(F)c4)n23)c(F)c1,DGJGYWUWXNDVOJ-UHFFFAOYSA-N,2,1,0.598,88,70,467.386,3.821,5,0.351,0.6,1.0,0.9784199163868138,0.964798505928312,0.9100387225001714,0.9010862860667535,0.9385858577205126
EOS-2-25196,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nc1-c1cncnc1,UOCDCCZPXJDMQN-UHFFFAOYSA-N,2,1,0.489,27,676,467.386,4.38,5,0.354,0.76,1.0,0.89998971969022,0.9209615516414228,0.9760126105133301,0.9464738537454596,0.9358594338976081
EOS-2-25197,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1-c1cccnc1F,JETHHOLDGNWGCW-UHFFFAOYSA-N,2,1,0.511,27,69,467.386,4.438,5,0.269,0.74,0.895,0.739299910903982,0.882633130011651,0.9019001439243369,0.8575577410732643,0.8453477314783086
EOS-2-25198,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nn2)cn1,XJOOKYKOXDJVAU-UHFFFAOYSA-N,2,1,0.489,1,676,467.386,4.38,5,0.28,0.78,1.0,0.8915598656706188,0.8801744225892674,0.9739565485573298,0.942490233705709,0.9220452676307312
EOS-2-25199,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)cn2)nn1,UHCTVNKTIQWBPW-UHFFFAOYSA-N,2,1,0.479,13,374,467.386,4.902,5,0.347,0.7,1.0,0.9079483928449044,0.9154273182098553,0.9710180933452128,0.9263244465766568,0.9301795627441574
EOS-2-25200,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1C(F)(F)F,WLUSJNPHFHTZOQ-UHFFFAOYSA-N,2,1,0.518,27,343,467.386,4.38,5,0.354,0.68,1.0,0.8805085326571174,0.9246795970118566,0.9770663422657803,0.939937290110342,0.9305479405112741
EOS-2-25201,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)nc1,BMKRWJHEKKTGMP-UHFFFAOYSA-N,2,1,0.517,27,676,467.386,4.38,5,0.354,0.74,1.0,0.8934103214310192,0.90029812898362,0.9515026386128436,0.9045387567678707,0.9124374614488383
EOS-2-25202,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccccc5C(F)(F)F)n34)nn2)cn1,TWBQXPAZSVLCGD-UHFFFAOYSA-N,2,1,0.446,1,676,467.386,4.38,5,0.28,0.8,1.0,0.7688900692207525,0.7996881639366733,0.9633763964087451,0.9231803851689397,0.8637837536837777
EOS-2-25203,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)ccn1,GWEPHPSFYGASAP-UHFFFAOYSA-N,2,1,0.462,27,343,467.386,4.38,5,0.28,0.74,1.0,0.9032965526694537,0.8934702899047358,0.9750188472345966,0.9448461380302926,0.9291579569597697
EOS-2-25204,Fc1cccnc1-c1nnc2cncc(OCc3cccc(-c4cnc(C(F)(F)F)nc4)c3)n12,MMQFFXCRIHHPJW-UHFFFAOYSA-N,2,1,0.435,27,988,467.386,4.38,5,0.354,0.69,1.0,0.8503700911520801,0.7785878281132205,0.9166952230827222,0.8377510108971283,0.8458510383112878
EOS-2-25205,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5F)n34)cn2)cn1,QBDBSTBMIHVBCN-UHFFFAOYSA-N,2,1,0.467,27,315,467.386,4.902,5,0.347,0.7,1.0,0.880517099581934,0.940117195531492,0.9736310054142965,0.9329809471592078,0.9318115619217325
EOS-2-25206,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(OCc3cncc(-c4cncnc4)c3)n12,QTEDSYLICAXNGP-UHFFFAOYSA-N,2,1,0.506,27,817,467.386,4.38,5,0.354,0.76,1.0,0.9110924542526215,0.9283376739085738,0.9876636282639983,0.9682938112535124,0.9488468919196765
EOS-2-25207,Cc1cc(COc2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2F)no1,OHJSIMYGSHYPLE-UHFFFAOYSA-N,2,1,0.522,59,521,467.407,4.663,5,0.344,0.62,1.0,0.8107908984990748,0.744328695771366,0.9194709067233225,0.8777671167157837,0.8380894044273868
EOS-2-25208,Cc1onc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,ZUSLNQITYVFSKB-UHFFFAOYSA-N,2,1,0.718,1,640,467.407,5.074,5,0.33,0.73,1.0,0.9413508327050922,0.9246881639366733,0.903005277225687,0.8749314646014666,0.9109939346172299
EOS-2-25209,Oc1ccc(O)n1-c1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cc1,GJBMDVOQZQGUSO-UHFFFAOYSA-N,2,1,0.607,88,485,467.407,4.032,5,0.366,0.42,0.996,0.7944709067233225,0.7702607771914194,0.9341117812350079,0.8943098485367692,0.8482883284216297
EOS-2-25210,Cn1c(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nnc1-c1ccc(F)cc1,QFZUQFMESGHVBE-UHFFFAOYSA-N,2,1,0.688,43,996,467.411,3.906,5,0.358,0.82,1.0,0.7454252621478994,0.8908488109108355,0.7158693715303954,0.7318295524638476,0.7709932492632445
EOS-2-25211,COc1ccc(-c2ncn(C)c2COc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cn1,SEVRRGKFGHFNCW-UHFFFAOYSA-N,2,1,0.423,73,526,467.411,3.592,5,0.353,0.64,1.0,0.6276900143924337,0.7164861901171955,0.7538636830923172,0.6445411555068192,0.6856452607771915
EOS-2-25212,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4OC(F)(F)F)n23)cc1,DMVDYQZFKJTKOY-UHFFFAOYSA-N,2,1,0.58,43,431,467.411,4.064,5,0.372,0.67,1.0,0.8568895209375642,0.7255671304228634,0.9241827153724899,0.837759577821945,0.8360997361387156
EOS-2-25213,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)cc2)nn1,LAYLGBJIVMIYQF-UHFFFAOYSA-N,2,1,0.553,1,431,467.411,4.064,5,0.372,0.7,1.0,0.6569203618669043,0.6432732506339525,0.9354910561304914,0.8557672537865808,0.7728629806044823
EOS-2-25214,COc1ccccc1COc1cncc2nnc(-c3ccc(-c4nncn4C(F)(F)F)cc3)n12,OPDMOWJUGKRDAE-UHFFFAOYSA-N,2,1,0.566,43,431,467.411,4.114,5,0.371,0.71,1.0,0.672554999657323,0.6536820642862038,0.9309848536769242,0.8136950860119252,0.7677292509080941
EOS-2-25215,Cn1nc(-c2ccc(F)cn2)cc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,YWYVNKHBNRPFGI-UHFFFAOYSA-N,2,1,0.593,4,996,467.411,3.906,5,0.358,0.7,1.0,0.62476869302995,0.8606589678568981,0.8201288465492427,0.7657717085874854,0.767832054005894
EOS-2-25216,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1cn(C)cn1,CPELTBJBSUDRGG-UHFFFAOYSA-N,2,1,0.436,49,488,467.411,3.592,5,0.353,0.58,0.868,0.6725635665821397,0.6054931121924474,0.7940939620313893,0.6792115002398739,0.6878405352614626
EOS-2-25217,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(OC(F)(F)F)c5)n34)cc2)nn1,SAHFCJGRWYREQB-UHFFFAOYSA-N,2,1,0.578,1,431,467.411,4.064,5,0.372,0.77,1.0,0.6419625111370023,0.7661400863546022,0.9436467685559592,0.8749400315262833,0.8066723493934618
EOS-2-25218,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-n1ccnc1,YOYHTQKHBQJFFK-UHFFFAOYSA-N,2,1,0.679,15,996,467.411,3.734,5,0.343,0.78,1.0,0.7514306764443835,0.8445959838256459,0.8028322253443904,0.744945514358166,0.7859510999931465
EOS-2-25219,COc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2F)n[nH]1,BFCPORLVPXUWDT-UHFFFAOYSA-N,2,1,0.7,88,781,467.411,3.624,5,0.39,0.56,1.0,0.9287831539990405,0.8343242409704612,0.7837536837776712,0.7288910972517305,0.8189380439997259
EOS-2-25220,OCCOc1cc(C(F)(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,BEMDHPFIXDDYIH-UHFFFAOYSA-N,2,1,0.33,61,697,467.411,3.633,5,0.392,0.68,1.0,0.49812384346514976,0.5068963744774175,0.9597268864368447,0.8985504763210198,0.715824395175108
EOS-2-25221,COc1cc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1cnn(C(F)F)c1,OKNYXWQAUSWUIJ-UHFFFAOYSA-N,2,1,0.528,27,83,467.411,4.172,5,0.355,0.58,1.0,0.5519155643890069,0.6876327873346584,0.8878760879994517,0.7823572750325544,0.7274454286889178
EOS-2-25222,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(OC(F)(F)F)c4)n23)cc1,WDPWLPHMDRZYDN-UHFFFAOYSA-N,2,1,0.608,43,431,467.411,4.064,5,0.372,0.74,1.0,0.8704509629223494,0.837656774724145,0.9341203481598246,0.8592796929614146,0.8753769446919333
EOS-2-25223,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)c(F)n4)n23)cn1,NMVHTPKTHOGXIC-UHFFFAOYSA-N,2,1,0.46,37,908,467.415,2.899,5,0.336,0.59,1.0,0.6965766568432595,0.5762713316427935,0.34515283393872936,0.345007196216846,0.4907520046604071
EOS-2-25224,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4cccc(C(F)(F)F)n4)n23)ccn1,ODYLIAOWKALOLF-UHFFFAOYSA-N,2,1,0.511,27,819,467.415,3.017,5,0.375,0.67,0.753,0.4981324103899664,0.4978240010965664,0.612826399835515,0.4310448221506408,0.5099569083681722
EOS-2-25225,Cc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cc(-c4ncc(F)cn4)nn3C)n12,NIBKUJFFHRLAMA-UHFFFAOYSA-N,2,1,0.421,7,185,467.415,3.341,5,0.374,0.6,0.947,0.4659807415530121,0.5573384277979576,0.4082653690631211,0.3195291618120759,0.4377784250565417
EOS-2-25226,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(F)n5)n34)ncn2)c(C(F)F)n1,MMZNEJPPWMPVSQ-UHFFFAOYSA-N,2,1,0.39,31,395,467.415,3.515,5,0.335,0.64,1.0,0.3282074566513604,0.3172246590363923,0.4485384826262765,0.36142142416558154,0.36384800561990266
EOS-2-25227,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)n5)n34)cn2)cn1,LMTYSYUHIZXIHD-UHFFFAOYSA-N,2,1,0.429,92,468,467.415,3.458,5,0.374,0.7,1.0,0.3818792406277843,0.4836371736001645,0.5976029744362964,0.3646254540470153,0.4569362106778151
EOS-2-25228,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(C(F)(F)F)c4)n23)cc1,CWLGXLSJKVYVFB-UHFFFAOYSA-N,2,1,0.56,15,447,467.415,3.017,5,0.375,0.76,1.0,0.6539390720307039,0.6728034404770064,0.7941025289562059,0.6761959427044069,0.6992602460420808
EOS-2-25229,Cn1nc(-c2nnc3cncc(OCCc4cc(C(F)(F)F)ccn4)n23)cc1-c1cncnc1,DELMKPJTLWPUSC-UHFFFAOYSA-N,2,1,0.458,31,569,467.415,3.017,5,0.375,0.68,0.997,0.3931618806113358,0.370331025974916,0.789947570420122,0.6416027002947022,0.548760794325269
EOS-2-25230,Cc1nn(C)cc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)n1,FTVDDVPINGPIRF-UHFFFAOYSA-N,2,1,0.54,92,535,467.415,3.283,5,0.388,0.71,1.0,0.4758412720169968,0.5431858680008225,0.7106949489411281,0.4869268727297649,0.5541622404221781
EOS-2-25231,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)nn5)n34)cn2)cc1,CXPLZTDXZUKWQJ-UHFFFAOYSA-N,2,1,0.462,81,218,467.424,3.411,6,0.359,0.59,1.0,0.4858131725035981,0.5109142622164348,0.40127475841272015,0.4280292646151737,0.4565078644369817
EOS-2-25232,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnoc5)cn4)n23)cn1,LVIOMSYTLIKDHT-UHFFFAOYSA-N,2,1,0.462,80,277,467.424,3.411,6,0.359,0.67,1.0,0.5792097868549105,0.52498971969022,0.38301864162840105,0.35783188266739774,0.46126250771023236
EOS-2-25233,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)c2)nn1,IWLBLAXMMQFVHD-UHFFFAOYSA-N,2,1,0.411,81,218,467.424,3.411,6,0.359,0.62,1.0,0.5519241313138236,0.38940956754163525,0.4377098896580084,0.3961860050716195,0.44380739839627165
EOS-2-25234,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1-c1ccncc1,WDTVOISGGVFZMZ-UHFFFAOYSA-N,2,1,0.444,40,59,467.424,3.411,6,0.359,0.69,1.0,0.7688986361455692,0.605501679117264,0.34136625316976216,0.3165650058255089,0.5080828935645261
EOS-2-25235,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)nn1,WIDABNQZEJXMIH-UHFFFAOYSA-N,2,1,0.421,81,218,467.424,3.411,6,0.359,0.65,0.97,0.5467154410252896,0.4531817558769104,0.2901617435405387,0.3257316153793434,0.4039476389555205
EOS-2-25236,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncco5)nc4)n23)nc1-c1cncnc1,LERIPSWVTLBBIN-UHFFFAOYSA-N,2,1,0.484,6,297,467.424,3.411,6,0.359,0.67,1.0,0.5939106298403125,0.5665650058255088,0.3756082516619834,0.3257401823041601,0.4654560174079912
EOS-2-25237,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(-c6nnco6)n5)cn4)n23)cc1,BFKIFIIDTUCZMO-UHFFFAOYSA-N,2,1,0.517,81,218,467.424,3.411,6,0.359,0.6,1.0,0.745433829072716,0.687641354259475,0.3303920224796107,0.3355321773696114,0.5247498457953532
EOS-2-25238,Fc1ncccc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1,VYXHCWKQPRRLBG-UHFFFAOYSA-N,2,1,0.441,40,518,467.424,3.411,6,0.336,0.69,1.0,0.8289784798848605,0.6581625659653211,0.4191110958810225,0.3742461106161332,0.5701245630868343
EOS-2-25239,Cc1nnc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)c(F)c2)o1,GJENVPDSPGFPAQ-UHFFFAOYSA-N,2,1,0.394,40,50,467.424,3.933,6,0.367,0.68,1.0,0.6510091837434034,0.5762798985676102,0.34904221780549655,0.29770920430402303,0.4685101261051333
EOS-2-25240,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)ccn1,FODXDTSIOXQSHM-UHFFFAOYSA-N,2,1,0.457,40,117,467.424,3.411,6,0.336,0.64,1.0,0.6332842162977178,0.5914776231923788,0.43015386196970734,0.4120776506065383,0.5167483380165856
EOS-2-25241,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)nc1-c1cnccn1,PPFWUEPYRJMWEV-UHFFFAOYSA-N,2,1,0.44,40,147,467.424,3.411,6,0.359,0.64,1.0,0.8265968747858269,0.6679202933315057,0.2715286820642862,0.24980296072921665,0.5039622027277089
EOS-2-25242,Fc1cc(-c2cccnc2)ncc1-c1nnc2cncc(OCc3ccc(-c4nnco4)nc3)n12,FKTUYHKUMHLWDX-UHFFFAOYSA-N,2,1,0.452,6,297,467.424,3.411,6,0.359,0.68,1.0,0.6965852237680762,0.5294616544445206,0.4230604482215064,0.39036906312110203,0.5098690973888013
EOS-2-25243,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)ccc1-c1ccncn1,DUCZWTCGHPCWLO-UHFFFAOYSA-N,2,1,0.5,81,218,467.424,3.411,6,0.359,0.68,1.0,0.687744157357275,0.5294702213693373,0.42306901514632306,0.39037763004591874,0.5076652559797135
EOS-2-25244,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)nc1-c1cncnn1,UWSAGOWHVKVIBU-UHFFFAOYSA-N,2,1,0.417,40,428,467.424,3.411,6,0.359,0.65,1.0,0.8313772188335276,0.6385443081351518,0.30105887190734015,0.3195377287368926,0.522629531903228
EOS-2-25245,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)no2)cc1,CTYKTXFSCGUFCG-UHFFFAOYSA-N,2,1,0.446,28,414,467.424,3.411,6,0.359,0.78,1.0,0.5415581522856555,0.5815314234802276,0.2321208279076143,0.24690734014118293,0.40052943595367013
EOS-2-25246,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccn6)no5)n34)nc2)cn1,WMXBOOXLUHNKBG-UHFFFAOYSA-N,2,1,0.462,6,414,467.424,3.411,6,0.336,0.65,1.0,0.47353676924131316,0.4929665547255157,0.2355732986087314,0.25293845521211705,0.3637537694469193
EOS-2-25247,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nn2)c1,DOAVQFKCPWQQTJ-UHFFFAOYSA-N,2,1,0.436,40,59,467.424,3.411,6,0.359,0.69,1.0,0.7026934411623603,0.6055102460420807,0.3343499417449112,0.3355407442944281,0.4945235933109451
EOS-2-25248,Fc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)cc1,BRWFGWKVJPTCMW-UHFFFAOYSA-N,2,1,0.489,80,277,467.424,3.411,6,0.359,0.76,1.0,0.6392639298197519,0.7164947570420122,0.29017031046535535,0.3072441916249743,0.4882932972380235
EOS-2-25249,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nn4)n23)ccc1-c1cnccn1,BFLKXFWVULDZMX-UHFFFAOYSA-N,2,1,0.511,6,297,467.424,3.411,6,0.359,0.57,1.0,0.715029812898362,0.5709084367075594,0.42659002124597356,0.4024055924885203,0.5287334658351038
EOS-2-25250,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)cn5)n34)cn2)c1,TWCJUFUGAYMVAZ-UHFFFAOYSA-N,2,1,0.5,6,280,467.424,3.411,6,0.359,0.65,1.0,0.5131159618943184,0.47955931738743063,0.4937204441093825,0.4561973134123775,0.4856482592008773
EOS-2-25251,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)no2)cc1,AKBAMNFJFOIFIW-UHFFFAOYSA-N,2,1,0.466,80,147,467.424,3.411,6,0.359,0.72,1.0,0.5208690288534028,0.5709170036323761,0.290178877390172,0.3040487286683572,0.421503409636077
EOS-2-25252,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)no2)cn1,KRQOZPRWVQKMSW-UHFFFAOYSA-N,2,1,0.461,40,147,467.424,3.411,6,0.336,0.66,1.0,0.6109074086765814,0.5573469947227743,0.3267853471317936,0.3195462956617093,0.45364651154821467
EOS-2-25253,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1-c1cccnc1,ZJGVJTVHVFASRA-UHFFFAOYSA-N,2,1,0.436,40,59,467.424,3.411,6,0.359,0.71,1.0,0.7861352888767048,0.6385528750599685,0.3231015694606264,0.30405729559317385,0.5129617572476184
EOS-2-25254,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nn4)n23)cn1,YRBALHQKQXJEMR-UHFFFAOYSA-N,2,1,0.457,81,218,467.424,3.411,6,0.359,0.66,1.0,0.6569289287917209,0.5480861489959564,0.33764820779932836,0.36786375162771573,0.47763175930368035
EOS-2-25255,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)nc1,GYEQDLQOQJQBSE-UHFFFAOYSA-N,2,1,0.457,40,117,467.424,3.411,6,0.359,0.66,1.0,0.702702008087177,0.5620074018230417,0.37942910013021725,0.3708793091631828,0.5037544548009046
EOS-2-25256,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncon6)n5)n34)cc2)ccn1,YDKZMSPCJNYGDN-UHFFFAOYSA-N,2,1,0.442,40,355,467.424,3.411,6,0.336,0.67,1.0,0.6392724967445685,0.5961465972174628,0.3940871084915359,0.39619457199643615,0.5064251936125008
EOS-2-25257,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc(-c2nnco2)n1,SOSBGJPOLOIUDI-UHFFFAOYSA-N,2,1,0.522,81,120,467.424,3.411,6,0.336,0.76,1.0,0.5736926872729765,0.5480947159207731,0.2500342676992667,0.2620964978411349,0.40847954218353777
EOS-2-25258,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)ccc1-c1nnco1,VTOUQIKUCKMECE-UHFFFAOYSA-N,2,1,0.529,81,117,467.424,3.411,6,0.359,0.65,1.0,0.69978925364951,0.5868257830169282,0.4265985881707902,0.40241415941333697,0.5289069460626413
EOS-2-25259,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)nc4)n23)cn1,GCZRGRXCABFWNW-UHFFFAOYSA-N,2,1,0.446,6,247,467.424,3.411,6,0.359,0.69,1.0,0.7744928380508532,0.615327941881982,0.33435850866972794,0.3515865944760469,0.5189414707696525
EOS-2-25260,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(Oc4ccc(-c5nnco5)nc4)n23)n1,NNNXMYDHXYIBMV-UHFFFAOYSA-N,2,1,0.392,81,870,467.424,3.933,6,0.367,0.7,0.998,0.660304297169488,0.557355561647591,0.337656774724145,0.33554931121924475,0.4727164861901172
EOS-2-25261,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)nc1-c1cnccn1,WDWXPMVOJZUKLW-UHFFFAOYSA-N,2,1,0.444,80,147,467.424,3.411,6,0.359,0.61,1.0,0.870459529847166,0.7209581248714961,0.3195120279624426,0.30406586251799056,0.5537488862997738
EOS-2-25262,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)no2)c1,HORYDGQQQODARU-UHFFFAOYSA-N,2,1,0.436,6,297,467.424,3.411,6,0.359,0.72,1.0,0.562512850387225,0.5340706599958879,0.2393598793776986,0.25615105201836746,0.39802361044479473
EOS-2-25263,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6ncon6)n5)n34)ccn2)c1,QKGZFQGFEZJHRK-UHFFFAOYSA-N,2,1,0.511,80,414,467.424,3.411,6,0.359,0.61,1.0,0.48822047837708177,0.44444349256390925,0.36029059008978137,0.3483311630457131,0.4103214310191214
EOS-2-25264,Fc1cncc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)c1,YSDTZNYPPOYMSS-UHFFFAOYSA-N,2,1,0.531,80,8,467.424,3.411,6,0.359,0.68,1.0,0.8434308820505791,0.6103848262627647,0.4115722020423549,0.3742546775409499,0.5599106469741622
EOS-2-25265,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncco5)n4)n23)nc1-c1cncnc1,VJPUSCOHBKGAKV-UHFFFAOYSA-N,2,1,0.438,28,297,467.424,3.411,6,0.359,0.67,1.0,0.5263604276608869,0.43580803234870813,0.297554999657323,0.2737560825166198,0.38336988554588447
EOS-2-25266,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cnccn6)no5)n34)cc2)nc1,XMYMYKASMUGVII-UHFFFAOYSA-N,2,1,0.467,40,355,467.424,3.411,6,0.359,0.7,1.0,0.6725721335069563,0.6242204098416833,0.26420396134603524,0.2915410184360222,0.4631343807826742
EOS-2-25267,O=c1[nH]c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)ncc1F,BXJOJCJOQYJGGS-UHFFFAOYSA-N,2,1,0.396,40,763,467.424,3.258,6,0.394,0.66,0.997,0.7150383798231786,0.5914861901171955,0.4834829689534645,0.46565519840997877,0.5639156843259543
EOS-2-25268,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)nc1,LKGIXFUBXTVQFB-UHFFFAOYSA-N,2,1,0.473,81,117,467.424,3.411,6,0.359,0.63,1.0,0.742495373860599,0.6007898704680967,0.38302720855321776,0.3614299910903982,0.521935610993078
EOS-2-25269,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)cn1,CULZKGYBGWAYCZ-UHFFFAOYSA-N,2,1,0.417,6,218,467.424,3.411,6,0.359,0.64,1.0,0.6539476389555205,0.5249982866150367,0.345161400863546,0.37088787608799945,0.47374880063052566
EOS-2-25270,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)cnn1,FWOODXIFPPGHJT-UHFFFAOYSA-N,2,1,0.433,40,355,467.424,3.411,6,0.359,0.64,1.0,0.602511822356247,0.5762884654924268,0.46621204852306214,0.4246881639366733,0.5174251250771023
EOS-2-25271,Fc1cc(-c2cnco2)ccc1-c1nnc2cncc(OCc3ccnc(-c4cccnn4)n3)n12,GUPKYUQSGHKHGZ-UHFFFAOYSA-N,2,1,0.473,40,247,467.424,3.411,6,0.359,0.7,0.999,0.6480107600575697,0.6630371461860051,0.367778082379549,0.35159516140086355,0.5076052875059968
EOS-2-25272,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6c[nH]nn6)n5)n34)cn2)cn1,VGYMDOLGIOMNNE-UHFFFAOYSA-N,2,1,0.424,6,843,467.428,2.541,6,0.363,0.56,0.988,0.44259303680350903,0.47500171338496333,0.28304262901788774,0.24421732574874924,0.3612136762387773
EOS-2-25273,Fc1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)cn1,GYXWSFZNAHETAE-UHFFFAOYSA-N,2,1,0.455,56,621,467.428,2.542,6,0.363,0.67,1.0,0.7333972997052978,0.5620159687478583,0.29756356658213967,0.23840895072304846,0.45784644643958605
EOS-2-25274,Fc1cnc(-c2cnccc2COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)nc1,WLUQBZYCGRARSA-UHFFFAOYSA-N,2,1,0.478,56,8,467.428,2.542,6,0.388,0.69,1.0,0.8526060585292303,0.6055188129668974,0.2937170173394558,0.27681447467617026,0.5071640908779385
EOS-2-25275,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)nc1-c1cncnc1,WNVUATUYDNPCAY-UHFFFAOYSA-N,2,1,0.468,56,893,467.428,2.542,6,0.388,0.63,1.0,0.5792183537797272,0.5340792269207045,0.33766534164896167,0.31657357275032555,0.44188412377492975
EOS-2-25276,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ccnnc5)cn4)n23)cnc1-c1cc[nH]n1,KXWPDILFROWDEJ-UHFFFAOYSA-N,2,1,0.366,51,855,467.428,2.541,6,0.388,0.52,1.0,0.6166215475292989,0.5481032828455897,0.27153724898910286,0.2588067987115345,0.42376721951888147
EOS-2-25277,Fc1cccnc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cn1,MUEGVDMZBCQEPT-UHFFFAOYSA-N,2,1,0.484,56,893,467.428,2.541,6,0.388,0.63,1.0,0.6510177506682201,0.5573641285724077,0.25004283462408333,0.2561596189431842,0.42864608320197384
EOS-2-25278,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5nnn(-c6ccccc6)n5)n34)cn2)cn1,VQYNYFZPLRNKNR-UHFFFAOYSA-N,2,1,0.393,6,288,467.428,2.337,6,0.336,0.55,0.887,0.24356623946268247,0.31723322596120895,0.11639024055924885,0.12818689603180042,0.2013441505037352
EOS-2-25279,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)nc1-c1cnccn1,UZSVSECZBHFFED-UHFFFAOYSA-N,2,1,0.432,56,147,467.428,2.542,6,0.388,0.52,1.0,0.641971078061819,0.529478788294154,0.2142330888904119,0.2152182852443287,0.40022531012267837
EOS-2-25280,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)n5)n34)cn2)nc1,PUSNJWGNVWZGSM-UHFFFAOYSA-N,2,1,0.453,6,786,467.428,2.541,6,0.388,0.63,0.984,0.5363580289219382,0.5109228291412514,0.21762559111781235,0.22644095675416354,0.3728368514837914
EOS-2-25281,Fc1cccnc1COc1cncc2nnc(-c3ccc(-c4n[nH]c(-c5cccnn5)n4)cn3)n12,DHIYJDIMBZBMIJ-UHFFFAOYSA-N,2,1,0.385,6,826,467.428,2.542,6,0.388,0.6,0.26,0.5389795079158385,0.5384911932012885,0.16110102117743816,0.17525358097457336,0.35345632581728464
EOS-2-25282,COc1ncc(-n2nnc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)n2)cn1,LBTCYTFBWBAONC-UHFFFAOYSA-N,2,1,0.3,10,952,467.428,2.434,6,0.372,0.57,1.0,0.10624700157631417,0.2762490576382702,0.08823075868686177,0.11710129531903228,0.14695702830511959
EOS-2-25283,Cn1nccc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nn1,RJNQBJKOAOXLFE-UHFFFAOYSA-N,2,1,0.357,6,502,467.428,2.765,6,0.372,0.66,1.0,0.4882290453018984,0.4487183880474265,0.14849050784730314,0.1260365979028168,0.3028686347748612
EOS-2-25284,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nc4)n23)ccc1-c1nn[nH]n1,DKWFTGVQYHTFSG-UHFFFAOYSA-N,2,1,0.478,56,8,467.428,2.541,6,0.388,0.67,1.0,0.8434394489753958,0.6826040024672744,0.3010674388321568,0.29453944212185595,0.5304125830991707
EOS-2-25285,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)c1,QAVOBDZJXXZAOE-UHFFFAOYSA-N,2,1,0.473,71,893,467.428,2.541,6,0.388,0.7,1.0,0.6419796449866356,0.5384997601261051,0.3157597148927421,0.31350661366595844,0.45243643341786033
EOS-2-25286,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3ccc(-c4cncnc4)nn3)n12,AXKFTNVVKKIHMQ-UHFFFAOYSA-N,2,1,0.439,56,868,467.428,2.542,6,0.388,0.65,1.0,0.5792269207045438,0.6007984373929134,0.32311013638544306,0.3008275649372901,0.45099076485504763
EOS-2-25287,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)nn2)c1,MDWHZOOTOMAMRZ-UHFFFAOYSA-N,2,1,0.363,6,843,467.428,2.541,6,0.388,0.57,1.0,0.5967205811801796,0.5762970324172435,0.21106332670824482,0.22960215201151396,0.40342077307929547
EOS-2-25288,Fc1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)nc1,XZXJVDJKVMBHCX-UHFFFAOYSA-N,2,1,0.479,56,893,467.428,2.541,6,0.388,0.67,1.0,0.6965937906928928,0.5665735727503255,0.23558186553354807,0.23535912548831472,0.43352708861627026
EOS-2-25289,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cn2)nc1,DTPNJFCLOSAVRJ-UHFFFAOYSA-N,2,1,0.494,56,893,467.428,2.541,6,0.388,0.7,1.0,0.8986104447947365,0.6385614419847851,0.2757093413748201,0.26506922075251865,0.5194876122267151
EOS-2-25290,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3ccnc(-c4cccnn4)n3)n12,XUUXAXZSBRTFTP-UHFFFAOYSA-N,2,1,0.455,71,425,467.428,2.542,6,0.388,0.66,1.0,0.6136745253923651,0.5961551641422795,0.21424165581522855,0.21221986155849495,0.409072801727092
EOS-2-25291,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)n4)n23)ccc1-c1cnccn1,GGPWHWFQZHUGEU-UHFFFAOYSA-N,2,1,0.489,6,843,467.428,2.542,6,0.388,0.63,1.0,0.5967291481049962,0.5069049414022343,0.2866664382153382,0.28866253169762185,0.41974076485504763
EOS-2-25292,Fc1ccc(Oc2ccc(F)cc2-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1,ORDMDDWKJYAZNK-UHFFFAOYSA-N,2,1,0.409,83,30,467.435,6.184,6,0.301,0.75,1.0,0.7060345418408608,0.697313412377493,0.9490096634911932,0.9485556164759098,0.8252283085463642
EOS-2-25293,Fc1cccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c1F,IPFRINZNCCBQJA-UHFFFAOYSA-N,2,1,0.327,69,484,467.435,6.184,6,0.301,0.75,1.0,0.5263689945857035,0.6008070043177302,0.9268555959152902,0.912394626824755,0.7416065554108697
EOS-2-25294,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)cc4)n23)cc1F,QUUOUCZFWFXILH-UHFFFAOYSA-N,2,1,0.646,77,96,467.439,4.654,6,0.364,0.55,1.0,0.9666318278390789,0.9454800904667261,0.8900178192036187,0.884826262764718,0.9217390000685354
EOS-2-25295,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)cc5)n34)nc2)o1,AGNPIBVXLJUUAE-UHFFFAOYSA-N,2,1,0.34,93,74,467.439,5.157,6,0.354,0.77,1.0,0.3497361387156466,0.5294873552189706,0.802840792269207,0.8112792132136248,0.6233358748543623
EOS-2-25296,FC(F)c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cc2)cn1,PNYMQUZGUDIXKS-UHFFFAOYSA-N,2,1,0.325,69,57,467.439,5.508,6,0.33,0.76,0.998,0.32064286203824277,0.3752056061956,0.8995014049756699,0.857566307998081,0.6132290453018985
EOS-2-25297,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccno6)cn5)n34)c(F)c2)ccc1F,MXFUINKLDHIWQD-UHFFFAOYSA-N,2,1,0.317,32,20,467.439,5.157,6,0.354,0.67,1.0,0.3229987663628264,0.3988503186896032,0.8221677746556096,0.8027208553217737,0.5866844287574532
EOS-2-25298,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)cc1F,VUFWMSRORFYECR-UHFFFAOYSA-N,2,1,0.474,77,177,467.439,4.654,6,0.364,0.54,1.0,0.7775854979096704,0.7953447330546227,0.8295867315468439,0.8297238023439106,0.8080601912137619
EOS-2-25299,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cnco5)cn4)n23)cc1F,SVZRKCMIPGQLKN-UHFFFAOYSA-N,2,1,0.333,32,572,467.439,5.157,6,0.354,0.72,1.0,0.3611130148721815,0.4929751216503324,0.7629274895483518,0.7728822561853197,0.5974744705640463
EOS-2-25300,Fc1ccc(Oc2ccc(F)cc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,BPVJOPBJYURKQO-UHFFFAOYSA-N,2,1,0.376,83,834,467.439,5.314,6,0.369,0.77,1.0,0.4858217394284148,0.5431944349256391,0.8949438009732027,0.8958775957782195,0.704959392776369
EOS-2-25301,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccccc5-c5ccc(F)c(F)c5)n34)cn2)n1,KKGLFDXPIDZVCF-UHFFFAOYSA-N,2,1,0.323,30,192,467.439,5.157,6,0.354,0.79,1.0,0.3887070797066685,0.46640052086902883,0.7469073401411829,0.7802583784524707,0.5955683297923378
EOS-2-25302,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc6cnccc6nn5)cc4)n23)cc1F,WOVVHRKNWVQVJN-UHFFFAOYSA-N,2,1,0.639,77,177,467.439,4.654,6,0.364,0.61,1.0,0.9461911452265095,0.9416678089233089,0.8925279281749023,0.8833356178466177,0.9159306250428346
EOS-2-25303,Cc1nc(-c2ccc(F)cn2)c(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1F,SVSDTFLTWRVVQX-UHFFFAOYSA-N,2,1,0.283,32,299,467.439,5.157,6,0.354,0.71,1.0,0.41043280104173807,0.48364574052498116,0.7469159070659996,0.7579501062298677,0.5997361387156466
EOS-2-25304,Cc1nc(-c2ncnn2C)c(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1C,XZLSXCPDFRVIIO-UHFFFAOYSA-N,2,1,0.586,36,404,467.44,2.809,5,0.359,0.63,1.0,0.41254026454663834,0.4836543074497978,0.18667329175519157,0.1780892330888904,0.31523927421012954
EOS-2-25305,Cn1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c5)c(OC(F)F)n4)n23)c1,BAAYNZRGJYVMLF-UHFFFAOYSA-N,2,1,0.424,31,456,467.44,2.543,5,0.342,0.58,0.939,0.4379326297032417,0.3560071276814475,0.3830357754780344,0.26210506476595163,0.3597701494071688
EOS-2-25306,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)c1,SLJWVSZVJUJKKA-UHFFFAOYSA-N,2,1,0.354,25,228,467.443,3.989,6,0.362,0.76,1.0,0.2598091289150846,0.37988314714550064,0.6843859228291412,0.7398995956411486,0.5159944486327188
EOS-2-25307,Cc1ncc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)c(-c2ccc(F)cc2)n1,MMQBVCLFHWIIBZ-UHFFFAOYSA-N,2,1,0.347,3,118,467.443,4.083,6,0.385,0.65,0.803,0.048771502981289835,0.22506168185868,0.4904136111301487,0.5878795147693784,0.33803157768487424
EOS-2-25308,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)cc1F,UVFPICKKYBCLOQ-UHFFFAOYSA-N,2,1,0.321,9,537,467.443,4.287,6,0.412,0.52,1.0,0.30781817558769103,0.37033959289973273,0.692747241450209,0.6938352409019258,0.5161850627098897
EOS-2-25309,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5ccc(F)cc5)n4)n23)cn1,LZGMACKHRDFMGH-UHFFFAOYSA-N,2,1,0.325,42,693,467.443,3.989,6,0.387,0.72,1.0,0.25688780755260093,0.35601569460626414,0.46622061544787885,0.5163885271742855,0.39887816119525743
EOS-2-25310,FC(F)c1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)n1,UNKJDDBSQRTAEL-UHFFFAOYSA-N,2,1,0.301,30,301,467.443,4.434,6,0.37,0.74,0.909,0.0071362483722842845,0.08309060379686108,0.6128349667603317,0.6061013638544308,0.32729079569597697
EOS-2-25311,FC(F)n1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,NCBNRMAJRYHDSN-UHFFFAOYSA-N,2,1,0.305,9,642,467.443,4.569,6,0.366,0.72,1.0,0.17420841614693988,0.19557432663970942,0.8130439997258584,0.7915581522856555,0.4935962236995408
EOS-2-25312,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)cc5F)n34)cc2)n1,UUEYZYIKLIYYTE-UHFFFAOYSA-N,2,1,0.329,9,508,467.443,3.989,6,0.387,0.7,1.0,0.2810893701596875,0.3462836680145295,0.6843944897539579,0.7263724213556302,0.5095349873209513
EOS-2-25313,Cc1ncc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)c(-c2cccc(F)c2)n1,JMXJEKPKGVBWNQ-UHFFFAOYSA-N,2,1,0.326,10,783,467.443,4.083,6,0.385,0.62,0.809,0.02255671304228634,0.15420464670002057,0.5488143376053731,0.6386985127818519,0.341068552532383
EOS-2-25314,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5F)n34)nc2)cn1,QIQILFBQVDODOY-UHFFFAOYSA-N,2,1,0.298,39,449,467.443,3.989,6,0.387,0.7,1.0,0.18006819272154068,0.25552566650675074,0.6190374203275992,0.6529710095264204,0.42690057227057776
EOS-2-25315,FC(F)n1cc(-c2cccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)c2)cn1,ZUMLJFIRZPEGCJ-UHFFFAOYSA-N,2,1,0.304,9,98,467.443,4.569,6,0.366,0.67,1.0,0.1277157151668837,0.14263929819751903,0.8345726817901447,0.7984887944623398,0.47585412240422176
EOS-2-25316,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5F)n34)nc2)n[nH]1,LTCFREKSASDPOW-UHFFFAOYSA-N,2,1,0.32,32,693,467.443,4.287,6,0.412,0.66,0.711,0.30276368994585706,0.3798917140703173,0.5557021451579741,0.5999246110616133,0.4595705400589405
EOS-2-25317,FC(F)c1ccc(-n2nncc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc1,ISSCLIJEWLGWLF-UHFFFAOYSA-N,2,1,0.305,38,620,467.443,4.434,6,0.37,0.59,0.935,0.014101158248235213,0.15011822356247,0.7723939414707697,0.7802669453772874,0.4292200671646905
EOS-2-25318,FC(F)n1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)cn1,YZLVPTOPEFBTFQ-UHFFFAOYSA-N,2,1,0.317,32,191,467.443,4.569,6,0.366,0.7,1.0,0.10625556850113084,0.21970735384826262,0.7264066890548968,0.6645534918785553,0.42923077582071134
EOS-2-25319,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)cc(F)c6)cc5)n34)nc2)n1,XYTMGHVBXBDFII-UHFFFAOYSA-N,2,1,0.364,3,74,467.443,3.989,6,0.387,0.74,1.0,0.24118463436364881,0.3313429511342608,0.6248115276540334,0.6907768487423754,0.4720289904735796
EOS-2-25320,FCc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)n1,JXFHPOOUJCCCAK-UHFFFAOYSA-N,2,1,0.295,9,7,467.443,4.309,6,0.402,0.65,1.0,0.3380851209649784,0.40827393598793776,0.6542988828730039,0.6616407374408882,0.515574669316702
EOS-2-25321,Cc1ncc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)c(-c2ccc(F)cc2)n1,NFMIPKFWLGALMU-UHFFFAOYSA-N,2,1,0.303,10,783,467.443,4.083,6,0.385,0.66,0.993,0.03169762182167089,0.19558289356452607,0.5488229045301899,0.6416112672195189,0.3544286717839764
EOS-2-25322,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cc2F)n1,ZBQWKUZFBSWKQB-UHFFFAOYSA-N,2,1,0.321,42,7,467.443,4.287,6,0.412,0.57,1.0,0.3054622712631074,0.3560242615310808,0.7367555342334315,0.7318381193886643,0.5325200466040709
EOS-2-25323,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5F)nc4)n23)c1,BLWGPKGMSBAXCE-UHFFFAOYSA-N,2,1,0.322,25,791,467.443,3.989,6,0.387,0.71,1.0,0.18289527791104104,0.3510383112877801,0.6219930093893496,0.7019995202522102,0.46448152971009526
EOS-2-25324,Cc1ccc(-c2nnc3cncc(-c4cnn(-c5ccnc(F)c5)c4)n23)c(-c2cc(F)ccn2)n1,GWUJYLBFBVBQHT-UHFFFAOYSA-N,2,1,0.297,10,673,467.443,4.083,6,0.36,0.65,0.999,0.007761633883901035,0.16562435748063875,0.610042149270098,0.6182149955451991,0.35041078404495923
EOS-2-25325,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cn5)n34)c(F)c2)nn1,TUFHZZDCWJWZLQ-UHFFFAOYSA-N,2,1,0.333,42,572,467.443,3.989,6,0.362,0.67,1.0,0.13071413885271743,0.2811836063326708,0.7132821602357617,0.7184394489753958,0.46090483859913645
EOS-2-25326,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5F)n34)nc2)n1,WJWAFJNLPMKWRL-UHFFFAOYSA-N,2,1,0.298,39,449,467.443,3.989,6,0.387,0.7,0.996,0.17695839901309027,0.2710146665752861,0.5586748680693578,0.59993317798643,0.4016452779110411
EOS-2-25327,Cc1cc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5F)n34)cn2)ccn1,BSUJSPQJUWNLKH-UHFFFAOYSA-N,2,1,0.28,39,972,467.443,4.083,6,0.385,0.66,1.0,0.007144815297100953,0.10209204304023028,0.6008926735658968,0.6327959015831677,0.33573135837159895
EOS-2-25328,FC(F)n1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cn1,PTNAHYGCYUHYSG-UHFFFAOYSA-N,2,1,0.342,93,774,467.443,4.569,6,0.366,0.73,1.0,0.13338701939551778,0.2300990336508807,0.6791429648413405,0.7020080871770269,0.4361592762661915
EOS-2-25329,Cn1c(-c2cncc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nc4)cc3)n12,WJDDHYUNXKMFML-UHFFFAOYSA-N,2,1,0.321,8,474,467.443,3.989,6,0.362,0.74,1.0,0.2327290795695977,0.3654136111301487,0.5149749845795353,0.6182235624700158,0.4328353094373244
EOS-2-25330,Cn1nc(-c2ccc(F)nc2)cc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3F)n12,BAILOQDSILJUGU-UHFFFAOYSA-N,2,1,0.318,42,171,467.443,3.989,6,0.362,0.69,0.667,0.11942293194434926,0.30697005003084094,0.7316068124186142,0.7318466863134809,0.47246162017682136
EOS-2-25331,COc1nc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nc4)n23)ccc1-c1ccco1,DFYITWGDJNKQFV-UHFFFAOYSA-N,2,1,0.455,28,297,467.445,4.084,6,0.339,0.59,1.0,0.42408847919950654,0.15788842437118772,0.3304005894044274,0.2177969296141457,0.28254360564731684
EOS-2-25332,COc1cc(-c2nnc3cncc(OCc4cccc(-c5ccon5)n4)n23)ccc1-c1cocn1,GOSSQKLHDUZCAT-UHFFFAOYSA-N,2,1,0.527,28,120,467.445,4.084,6,0.339,0.63,1.0,0.39090021245973544,0.22507024878349668,0.41911966280583923,0.2856641080117881,0.33018855801521485
EOS-2-25333,CS(=O)(=O)c1ccc(-c2nnc3cncc(OCc4nnn(-c5ccc(F)cc5)n4)n23)nc1,QAVLISJKERHFGZ-UHFFFAOYSA-N,2,1,0.402,36,760,467.446,1.284,5,0.358,0.64,0.905,0.17421698307175656,0.25041121239120007,0.06193886642450826,0.08388732780481119,0.142613597423069
EOS-2-25334,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5cccnc5)n4)n23)cc1O,LIKGYCHVJPYKOI-UHFFFAOYSA-N,2,1,0.417,56,355,467.449,2.921,6,0.388,0.65,0.999,0.3404752929888287,0.23492221232266466,0.1933983277362758,0.14875608251661984,0.22938797889109724
EOS-2-25335,COc1cc(-c2nnc3cncc(OCc4ncn(-c5ccco5)n4)n23)ccc1-c1ccncn1,ZUCWLIUIIXDNAM-UHFFFAOYSA-N,2,1,0.39,56,975,467.449,3.01,6,0.345,0.62,1.0,0.33573778356521145,0.16956514289630595,0.20386710986224385,0.13454355424576794,0.2109283976423823
EOS-2-25336,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)nn2)no1,NOEWAYUNFFCMOM-UHFFFAOYSA-N,2,1,0.467,40,415,467.449,3.482,6,0.355,0.67,1.0,0.4104413679665547,0.35603282845589745,0.10258892467959702,0.07108834212870947,0.23503786580768968
EOS-2-25337,COc1nc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nc4)n23)ccc1-n1ccnc1,TYEIMJARNRAVGN-UHFFFAOYSA-N,2,1,0.392,6,297,467.449,3.01,6,0.345,0.53,1.0,0.2783736549928038,0.02964155986567062,0.2246676033171133,0.13019155643890068,0.1657185936536221
EOS-2-25338,COc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)ccc1-c1nnco1,NLJOGBWYVDFOMS-UHFFFAOYSA-N,2,1,0.473,71,2,467.449,3.01,6,0.345,0.67,1.0,0.34517853471317933,0.13515180590775136,0.2937255842642725,0.1780978000137071,0.2380384312247276
EOS-2-25339,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnc(C)o6)cc5)n34)cn2)no1,VCBOXWSTSBCDQC-UHFFFAOYSA-N,2,1,0.565,40,2,467.449,3.482,6,0.355,0.64,1.0,0.4882376122267151,0.3069786169556576,0.11053903090946474,0.07301590021245974,0.24469279007607428
EOS-2-25340,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)no1,RRBMPZYMKZBNJS-UHFFFAOYSA-N,2,1,0.576,17,881,467.449,3.341,6,0.344,0.76,1.0,0.34518710163799604,0.2002861352888767,0.13641971078061818,0.1514289630594202,0.2083304776917278
EOS-2-25341,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnc(C)o6)nc5)n34)n2)no1,XSFBYDFAEKBUEL-UHFFFAOYSA-N,2,1,0.439,6,414,467.449,3.482,6,0.355,0.7,1.0,0.3497447056404633,0.30698718388047425,0.08823932561167844,0.053663217051607155,0.19965860804605579
EOS-2-25342,COc1cc(-c2nnc3cncc(OCc4cccc(-c5cc[nH]n5)n4)n23)ccc1-c1nnco1,FMBXESYYPPBZNS-UHFFFAOYSA-N,2,1,0.456,81,609,467.449,3.214,6,0.372,0.53,0.896,0.3726183949009664,0.2710232335001028,0.27917037900075387,0.17526214789939004,0.2745185388253033
EOS-2-25343,COc1nc(-c2nnc3cncc(Oc4ccc(-c5cnn(C)c5)cc4)n23)ccc1-c1ncon1,WOVAFCPCLIGELY-UHFFFAOYSA-N,2,1,0.404,6,870,467.449,3.438,6,0.359,0.56,1.0,0.3380936878897951,0.13161366595846755,0.22467617024192996,0.14377013227331917,0.20953841409087795
EOS-2-25344,Cc1ncn(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nc(=O)[nH][nH]6)cc5)n34)c2)n1,FCQPXPPBCXNYJJ-UHFFFAOYSA-N,2,1,0.454,56,256,467.453,1.733,6,0.372,0.62,1.0,0.33810225481461176,0.1868960318004249,0.1611095881022548,0.10992221232266465,0.19900752175998904
EOS-2-25345,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6nccn6C)n5)n34)nc2)no1,MCVVDDCTJCGSKK-UHFFFAOYSA-N,2,1,0.396,80,34,467.453,2.314,6,0.355,0.66,1.0,0.2754180659310534,0.17419128229730657,0.02267664998971969,0.011839490096634911,0.12103137207867865
EOS-2-25346,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnn(C)n6)cc5)n34)nn2)no1,YHYOPSGCCFLQDK-UHFFFAOYSA-N,2,1,0.447,71,415,467.453,2.314,6,0.355,0.66,0.998,0.38188780755260093,0.23010760057569735,0.045267630731272705,0.030720992392570763,0.17199600781303545
EOS-2-25347,COc1cncc(Oc2cncc3nnc(-c4ccc(-c5cc(-c6c[nH]nn6)nn5C)nc4)n23)c1,OHQHUHCNNXALKP-UHFFFAOYSA-N,2,1,0.378,6,502,467.453,2.568,6,0.387,0.58,0.771,0.27838222191762046,0.204869440065794,0.18021383044342404,0.11479679254334864,0.19456557124254678
EOS-2-25348,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cc2)n(C)n1,JLNJEOVNCOBFQB-UHFFFAOYSA-N,2,1,0.446,71,614,467.453,2.314,6,0.355,0.59,1.0,0.36584195737098213,0.15789699129600437,0.04068432595435542,0.026908710849153587,0.1478329963676239
EOS-2-25349,COc1ncc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4nnc(C)o4)cc3)n12,KEMDCYQXYUXOLM-UHFFFAOYSA-N,2,1,0.33,98,866,467.453,2.411,6,0.368,0.68,1.0,0.17696696593790692,0.10538174216983072,0.04527619765608937,0.02893907203070386,0.08914099444863272
EOS-2-25350,COc1nc(-c2nc(C)no2)ccc1-c1cncc2nnc(-c3cnc(-c4cnn(C)c4)nc3)n12,LYCIYACJTUCYFB-UHFFFAOYSA-N,2,1,0.283,86,780,467.453,2.411,6,0.368,0.64,1.0,0.31332670824480846,0.11793228702624906,0.03784867384003838,0.015891645534918786,0.12124982866150366
EOS-2-25351,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cn(C)nn6)nn5)n34)cc2)o1,VBXDOMLAJPHIQJ-UHFFFAOYSA-N,2,1,0.441,71,614,467.453,2.314,6,0.355,0.61,1.0,0.2976406689054897,0.2710318004249195,0.056139058323624154,0.041969364676855594,0.16669522308272225
EOS-2-25352,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6noc(C)n6)c5)n34)nc2)n[nH]1,PEVPPMOLYCKKTB-UHFFFAOYSA-N,2,1,0.365,6,843,467.453,2.612,6,0.383,0.6,0.074,0.3818963744774176,0.2455023644712494,0.061947433349324926,0.04314303337673909,0.18312230141868277
EOS-2-25353,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5cncnc5)o4)n23)cc1,UHPYEJXUBZPQRC-UHFFFAOYSA-N,2,1,0.423,71,415,467.453,2.489,6,0.341,0.63,1.0,0.33081180179562747,0.24551093139606606,0.04528476458090604,0.03813138235898842,0.164934720032897
EOS-2-25354,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)nn2)no1,GWIGALQFIIFOAR-UHFFFAOYSA-N,2,1,0.478,71,415,467.453,2.314,6,0.355,0.62,1.0,0.3308203687204441,0.2555342334315674,0.05238674525392365,0.04315160030155575,0.17047323692687272
EOS-2-25355,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnn(C)c6)n5)n34)nc2)n1,BIRZEYIVRBKDJR-UHFFFAOYSA-N,2,1,0.378,80,816,467.453,2.314,6,0.355,0.67,0.999,0.23002193132753068,0.14264786512233568,0.06581111644164211,0.03813994928380508,0.1191552155438284
EOS-2-25356,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)cc1,COUWECBIGRLIJK-UHFFFAOYSA-N,2,1,0.408,71,614,467.453,2.489,6,0.341,0.61,1.0,0.3589027482694812,0.15790555822082106,0.05239531217874032,0.044368103625522584,0.15339293057364128
EOS-2-25357,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6noc(C)n6)nn5)n34)cc2)n[nH]1,VZGYEBFPMNKZHY-UHFFFAOYSA-N,2,1,0.418,56,415,467.453,2.612,6,0.383,0.63,1.0,0.4081111644164211,0.3410749777259955,0.03252861352888767,0.026052018367486808,0.2019416935096978
EOS-2-25358,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(CO)n(C)n6)nn5)n34)cc2)o1,AEPHODZCXULNGU-UHFFFAOYSA-N,2,1,0.298,98,63,467.453,1.895,6,0.394,0.66,0.981,0.18290384483585773,0.1389469536015352,0.017253786580768968,0.014212528270851895,0.08832927832225346
EOS-2-25359,COc1cc(-c2nnc3cncc(OCc4nnnn4-c4ccccc4)n23)ccc1-c1nc[nH]n1,FUBUHUIXWIBKKL-UHFFFAOYSA-N,2,1,0.422,67,807,467.453,2.14,6,0.37,0.57,1.0,0.31577684874237544,0.2405592488520321,0.07436090740867658,0.06110787471729148,0.1729512199300939
EOS-2-25360,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)n4)n23)cc1,QYHABVOCVKDLOX-UHFFFAOYSA-N,2,1,0.541,71,447,467.457,1.146,6,0.346,0.68,1.0,0.34975327256528,0.23493077924748132,0.014452402165718593,0.01184805702145158,0.15274612774998286
EOS-2-25361,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)nn2)n1,KPJQYEWVPAXOBI-UHFFFAOYSA-N,2,1,0.418,71,614,467.457,1.146,6,0.346,0.57,1.0,0.3427198272907957,0.21472140360496197,0.017262353505585634,0.010922829141251457,0.14640660338564868
EOS-2-25362,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)nn2)cn1,IJIQBFGXKXJGFW-UHFFFAOYSA-N,2,1,0.44,71,614,467.457,1.146,6,0.346,0.7,1.0,0.3078267425125077,0.24056781577684874,0.025752175998903434,0.01883866767185251,0.1482463504900281
EOS-2-25363,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnnn6C)ccn5)n34)cc2)n1,RCVRBDWXGXZIHY-UHFFFAOYSA-N,2,1,0.553,56,447,467.457,1.146,6,0.346,0.65,1.0,0.34747447056404634,0.21472997052977863,0.023627578644369818,0.017185251182235625,0.15075431773010758
EOS-2-25364,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnnn6C)n5)n34)cc2)n1,URLLDMPGPMXRED-UHFFFAOYSA-N,2,1,0.495,71,447,467.457,1.146,6,0.346,0.67,1.0,0.32562881228154344,0.21473853745459529,0.014460969090535262,0.010023302035501336,0.14121290521554386
EOS-2-25365,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnnn6C)nc5)n34)cc2)n1,RFCPHKQBMUFGLH-UHFFFAOYSA-N,2,1,0.523,71,447,467.457,1.146,6,0.346,0.66,1.0,0.4016688369542869,0.20487800699061065,0.021562949763552875,0.015900212459735455,0.16100250154204648
EOS-2-25366,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnn(C)n6)nc5)n34)c2)n1,IRSQDOOLUWHVFN-UHFFFAOYSA-N,2,1,0.494,71,258,467.457,1.146,6,0.346,0.68,1.0,0.4288945240216572,0.2504197793160167,0.020809060379686106,0.014812213008018642,0.17873389418134464
EOS-2-25367,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nnnn5C)c4)n23)cc1,NVSGEVPKFPODCE-UHFFFAOYSA-N,2,1,0.524,56,447,467.457,1.146,6,0.346,0.66,1.0,0.4194966074977726,0.234939346172298,0.021571516688369544,0.01940408470975259,0.17385288876704819
EOS-2-25368,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nnnn6C)n5)n34)cn2)c1,CMQLMUFUNDBMFU-UHFFFAOYSA-N,2,1,0.373,7,816,467.457,1.146,6,0.346,0.68,1.0,0.31055959152902474,0.2658316770612021,0.01811047906243575,0.012713316427935028,0.15180376602014942
EOS-2-25369,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnnn6C)cn5)n34)nn2)cn1,NZDVEEXCGPDAIZ-UHFFFAOYSA-N,2,1,0.384,99,502,467.457,1.146,6,0.346,0.58,1.0,0.22161777808237956,0.13895552052635185,0.02673737235282023,0.017776368994585703,0.10127175998903434
EOS-2-25370,FC(F)Oc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)ncn2)cc1,LKEASWHWCTUNJR-UHFFFAOYSA-N,2,1,0.687,44,130,467.461,3.928,5,0.338,0.77,0.937,0.7831711328901377,0.8307604002467275,0.5557107120827908,0.5195668562812693,0.6723022753752314
EOS-2-25371,OCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)nc2F)s1,KAVNDPXQKGDAND-UHFFFAOYSA-N,2,1,0.549,19,442,467.461,3.097,5,0.364,0.6,0.998,0.5737012541977932,0.5156860393393188,0.2937341511890892,0.3545336166129806,0.4344137653347954
EOS-2-25372,Cn1c(COc2cncc3nnc(-c4ccc(F)cc4)n23)ccc1-c1ccc(-c2ccon2)nc1,DIDVUMUFLJFNFF-UHFFFAOYSA-N,2,1,0.529,28,120,467.464,4.565,6,0.354,0.6,1.0,0.7027105750119937,0.7072253443903777,0.6980758686861764,0.6416198341443355,0.687407905558221
EOS-2-25373,FCc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1,WQTUJTGBQWVZKO-UHFFFAOYSA-N,2,1,0.511,41,933,467.464,4.681,6,0.336,0.62,1.0,0.6480193269823864,0.4177403879103557,0.6601158248235214,0.5786186690425604,0.576123552189706
EOS-2-25374,COc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cc(F)cc(C#N)c1,CKRMHLPDLVZPAI-UHFFFAOYSA-N,2,1,0.47,49,769,467.464,3.889,5,0.354,0.68,0.989,0.8409978754026455,0.7255756973476801,0.6428791720923858,0.5692378863683092,0.6946726578027551
EOS-2-25375,COc1cc(-c2nccn2C)c(F)cc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,UAOXFJRLHNNPBB-UHFFFAOYSA-N,2,1,0.349,42,38,467.464,4.662,6,0.364,0.66,1.0,0.5596686313480913,0.457499485984511,0.7214464395860462,0.6182321293948324,0.5892116715783703
EOS-2-25376,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)n6C)o5)n34)cc2F)cn1,IZUIPNFNGACDHD-UHFFFAOYSA-N,2,1,0.314,98,794,467.468,4.06,6,0.381,0.64,0.82,0.1997806867246933,0.2658402439860188,0.23936844630251525,0.24112466588993214,0.2365285107257899
EOS-2-25377,Cn1nc(-c2ccccc2)cc1-c1cncc2nnc(-c3ccc(-c4n[nH]c(=O)n4C)cc3F)n12,WFTJCDDCAQHUGE-UHFFFAOYSA-N,2,1,0.322,3,791,467.468,3.087,6,0.427,0.6,1.0,0.2520046604071003,0.3510468782125968,0.2715458159139195,0.33868480570214515,0.30332054005894044
EOS-2-25378,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-n6cccn6)n5)n34)cc2)n[nH]1,VMRUHZMBMWUCMY-UHFFFAOYSA-N,2,1,0.454,40,932,467.468,3.789,6,0.397,0.54,1.0,0.4353625522582414,0.43997155780960867,0.41158076896717155,0.36143855801521485,0.4120883592625591
EOS-2-25379,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5cccnc5-n5cccn5)n34)ccc2F)n1,UVPSCDVPOCXTAS-UHFFFAOYSA-N,2,1,0.479,71,247,467.468,3.491,6,0.37,0.59,1.0,0.43537111918305804,0.4444520594887259,0.43412891508464124,0.3903861969707354,0.4260845726817902
EOS-2-25380,Cn1nc(-c2cccc(F)c2)cc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,PROZESKDSCUADQ-UHFFFAOYSA-N,2,1,0.468,67,611,467.468,3.695,6,0.398,0.58,1.0,0.5737098211226098,0.5481118497704064,0.48018470289904736,0.4532160235761771,0.5138055993420602
EOS-2-25381,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)c(C)n6)cc5F)n34)cc2)o1,PUCUKHJARKOFCY-UHFFFAOYSA-N,2,1,0.321,98,424,467.468,4.06,6,0.381,0.64,1.0,0.3157854156671921,0.3752141731204167,0.3119731341237749,0.2621136316907683,0.31627158865053806
EOS-2-25382,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2F)n[nH]1,CDUSWQQLFJLNKQ-UHFFFAOYSA-N,2,1,0.5,4,932,467.468,3.789,6,0.397,0.54,1.0,0.3865653485025015,0.4082825029127544,0.5522068398327736,0.4778887670481804,0.45623586457405246
EOS-2-25383,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-n5cccc5)n4)n23)c(F)c1,HKXYTKDKOARFGB-UHFFFAOYSA-N,2,1,0.489,81,247,467.468,3.491,6,0.37,0.63,1.0,0.3865739154273182,0.4358165992735248,0.39039476389555205,0.3578404495922144,0.3926564320471524
EOS-2-25384,Cn1cnc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,YXKBKBKECVEJAQ-UHFFFAOYSA-N,2,1,0.484,67,611,467.468,3.695,6,0.398,0.64,1.0,0.6696079775203893,0.6103933931875813,0.4591443355493112,0.4372901103419916,0.5441089541498183
EOS-2-25385,CCOc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)cn2)cc(F)n1,MOGZQCBXAADHAW-UHFFFAOYSA-N,2,1,0.296,42,150,467.468,3.967,6,0.369,0.68,0.883,0.20814200534576108,0.28119217325748747,0.5251524912617367,0.44032280172709204,0.36370236789801935
EOS-2-25386,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)cc5)n4)n23)cc1,OHYUFOBULRLBQB-UHFFFAOYSA-N,2,1,0.473,40,807,467.468,3.491,6,0.37,0.66,1.0,0.4310533890754575,0.4399801247344253,0.45580323487081076,0.4403313686519087,0.44179202933315054
EOS-2-25387,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nncn6C)cc5F)n34)cc2)cn1,ATIHMFKAYCOHKW-UHFFFAOYSA-N,2,1,0.488,67,722,467.468,3.919,6,0.379,0.66,1.0,0.4520509218011103,0.548120416695223,0.5847868549105613,0.5131245288191351,0.5245206805565075
EOS-2-25388,CCn1nc(-c2cccc(F)c2)cc1Oc1cncc2nnc(-c3ccc(-c4c[nH]nn4)cc3)n12,WKLFNMDPPMCHGD-UHFFFAOYSA-N,2,1,0.412,67,622,467.468,4.391,6,0.387,0.65,1.0,0.49314646014666574,0.5385083270509218,0.4449832088273593,0.44992632444657665,0.48164108011788087
EOS-2-25389,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nc6ccccc6n5C)c(F)n4)n23)nn1,OJMMTFPLPBIESA-UHFFFAOYSA-N,2,1,0.384,4,826,467.468,3.557,6,0.354,0.66,0.999,0.4446490987595093,0.4177489548351724,0.19340689466109245,0.18918340072647521,0.3112470872455623
EOS-2-25390,Cc1nc(F)cc(-c2nn(C)cc2-c2cncc3nnc(-c4ccc(-c5cnc(C)o5)cc4)n23)n1,NHYIUKCGOFBKQM-UHFFFAOYSA-N,2,1,0.31,98,303,467.468,4.06,6,0.357,0.64,1.0,0.24357480638749915,0.3172417928860256,0.3082550887533411,0.25881536563635116,0.28197176341580427
EOS-2-25391,Cc1ncn(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)ccc2F)n1,ZSOLINIAUDILKN-UHFFFAOYSA-N,2,1,0.516,43,611,467.468,3.789,6,0.397,0.76,1.0,0.5682869577136591,0.45750805290932767,0.5420978685491056,0.47789733397299705,0.5114475532862723
EOS-2-25392,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5nnc6c(F)cccc6n5)n34)cc2)cn1,DJQRBTLFKOVVTE-UHFFFAOYSA-N,2,1,0.495,67,322,467.468,3.291,6,0.367,0.66,1.0,0.6109159756013981,0.5961637310670962,0.2570848468233843,0.30725275854979095,0.44285432801041735
EOS-2-25393,Cn1cnc(-c2cccc(F)c2)c1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,VRSBHOFSWGLXNC-UHFFFAOYSA-N,2,1,0.474,67,611,467.468,3.695,6,0.398,0.66,1.0,0.6362055376602015,0.5573726954972243,0.444991775752176,0.4280378315399904,0.516651960112398
EOS-2-25394,Cn1cc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)n(C)n2)cn1,RCXHHLCNLIZYGV-UHFFFAOYSA-N,2,1,0.433,67,622,467.468,3.919,6,0.379,0.76,1.0,0.3974539099444863,0.48827187992598176,0.5080272085532177,0.4499348913713933,0.46092197244876976
EOS-2-25395,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6cccc(F)c6)nn5)n34)cc2)n1,DCBXRSXRKANKEQ-UHFFFAOYSA-N,2,1,0.617,77,104,467.468,3.491,6,0.37,0.69,1.0,0.2894249880063053,0.41775752175998904,0.4522822287711603,0.4403399355767254,0.399951168528545
EOS-2-25396,Cn1cnnc1-c1nn(C)c(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1F,QJMDAGMMEWZCFT-UHFFFAOYSA-N,2,1,0.419,67,755,467.468,3.919,6,0.379,0.69,1.0,0.5031354944829004,0.6055273798917141,0.20046604071002672,0.25882393256116787,0.3919882119114523
EOS-2-25397,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccc(F)cc6)nn5)n34)cc2)cn1,RSVRVEWFOLCSDV-UHFFFAOYSA-N,2,1,0.633,40,104,467.468,3.491,6,0.37,0.71,1.0,0.2435833733123158,0.40829106983757113,0.5251610581865533,0.5029984236858337,0.42000848125556856
EOS-2-25398,COc1ccc(-c2cn(C)nn2)cc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)c(F)c3)n12,HUAUFUMVNKQROU-UHFFFAOYSA-N,2,1,0.312,96,764,467.468,3.792,6,0.411,0.7,1.0,0.2411932012884655,0.3510554451374135,0.6190459872524159,0.5433400726475225,0.4386586765814543
EOS-2-25399,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)n(C)n1,PLMPMGBSJMHPRJ-UHFFFAOYSA-N,2,1,0.43,67,789,467.468,3.919,6,0.379,0.74,1.0,0.5056627373038174,0.6153365088067987,0.37561681858680007,0.4087965184017545,0.4763531457747927
EOS-2-25400,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cn5)n34)cc2F)n1,KNAXOARYXUFMIF-UHFFFAOYSA-N,2,1,0.5,40,247,467.468,3.491,6,0.37,0.62,1.0,0.37966040710026727,0.3894181344664519,0.5911263792748955,0.49617915153176617,0.4640960180933452
EOS-2-25401,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)c(F)c3)n12,VCWKVOZLSMWREJ-UHFFFAOYSA-N,2,1,0.32,9,7,467.468,3.792,6,0.411,0.72,1.0,0.3256373792063601,0.3222020423548763,0.5586834349941745,0.4656637653347954,0.4180466554725516
EOS-2-25402,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cc2)n(C)n1,GDQNBCUXXVWLJN-UHFFFAOYSA-N,2,1,0.351,25,508,467.472,2.892,6,0.388,0.75,1.0,0.25981769583990133,0.2812007401823042,0.13642827770543486,0.1644935234048386,0.21048505928311972
EOS-2-25403,Cc1sc(-c2ccccc2)nc1COc1cncc2nnc(-c3ccc(C(F)F)cc3F)n12,LRCATAMZIIIMKZ-UHFFFAOYSA-N,2,1,0.494,1,347,467.476,5.879,5,0.312,0.76,1.0,0.727357617709547,0.8481855253238297,0.8459067233225961,0.827522102666027,0.8122429922554999
EOS-2-25404,c1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)nn2)cn1,ZTQLDYJJDJGLNW-UHFFFAOYSA-N,2,1,0.435,71,117,467.478,2.531,6,0.356,0.59,1.0,0.2922092385717223,0.3266911109588102,0.07436947433349325,0.08389589472962786,0.19429142964841342
EOS-2-25405,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nncs6)nn5)n34)cn2)cn1,SNKDVZSFMSWVFX-UHFFFAOYSA-N,2,1,0.424,6,843,467.478,2.531,6,0.356,0.64,1.0,0.37504283462408333,0.40364779658693717,0.06581968336645877,0.06408916455349188,0.2271498697827428
EOS-2-25406,c1cnnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6nncs6)nc5)n34)n2)c1,ORUCTLIWYCWVOB-UHFFFAOYSA-N,2,1,0.448,6,843,467.478,2.531,6,0.356,0.68,1.0,0.379668974025084,0.43582516619834144,0.05045918717017339,0.04713522034130629,0.22827213693372628
EOS-2-25407,c1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6csnn6)nc5)n34)n2)cn1,KICBIZILDXASFJ-UHFFFAOYSA-N,2,1,0.389,80,277,467.478,2.531,6,0.356,0.58,1.0,0.2435919402371325,0.28120930710712083,0.09059522993626208,0.08746830237817833,0.17571619491467347
EOS-2-25408,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4sc(C)nc4C)n23)c1,BHWYIAHPKITGNE-UHFFFAOYSA-N,2,1,0.404,31,211,432.513,3.722,5,0.403,0.62,1.0,0.21099479130971147,0.08958433280789528,0.054280035638407234,0.03072955931738743,0.09639717976835034
EOS-2-25409,Cc1cc(-c2nnc3cncc(OCCc4ccn(C)n4)n23)cc(-c2cnc(C)s2)n1,HOUFBMOZXWOUFK-UHFFFAOYSA-N,2,1,0.462,31,661,432.513,3.282,5,0.406,0.65,1.0,0.28109793708450415,0.24551949832088274,0.0722277431293263,0.04071002672880543,0.15988880131587965
EOS-2-25410,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)c2)cs1,KKSOWAHIZHBPLE-UHFFFAOYSA-N,2,1,0.473,65,349,432.513,3.282,5,0.406,0.68,1.0,0.23273764649441436,0.1656329244054554,0.0834589815639778,0.05108457268179015,0.13322853128640944
EOS-2-25411,CCn1nc(C)cc1-c1cc(-c2nnc3cncc(OCc4csc(C)n4)n23)ccn1,MNHPIBOZKGKAER-UHFFFAOYSA-N,2,1,0.477,92,464,432.513,3.722,5,0.403,0.74,1.0,0.12207867863751627,0.11794085395106572,0.04856589678568981,0.026060585292303474,0.07866150366664382
EOS-2-25412,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)cn2)n(C(C)C)n1,XDVRSFGBTMFCKJ-UHFFFAOYSA-N,2,1,0.489,92,986,432.513,3.975,5,0.4,0.69,1.0,0.24120176821328215,0.18251833321910768,0.061956000274141595,0.030738126242204098,0.12910355698718387
EOS-2-25413,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)cc1,FPIUKKVZIJGTJE-UHFFFAOYSA-N,2,1,0.333,32,371,432.512,5.644,6,0.36,0.73,1.0,0.09861387156466316,0.12130765540401617,0.6040538688232472,0.6645620588033719,0.3721343636488246
EOS-2-25414,c1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccncc6)cs5)n34)cc2)cc1,HCKWSKACXWRZCV-UHFFFAOYSA-N,2,1,0.385,93,651,432.512,5.644,6,0.36,0.74,1.0,0.08907888424371188,0.1869045987252416,0.6128435336851484,0.6762045096292235,0.39125788157083136
EOS-2-25415,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)cc2)cc1,FDPRNFHJSCVDRN-UHFFFAOYSA-N,2,1,0.397,93,651,432.512,5.644,6,0.36,0.79,1.0,0.14125145637721884,0.18691316565005825,0.7132907271605784,0.7501456377218834,0.4479002467274347
EOS-2-25416,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cc5)n34)nc2)nc1,WORBBHOAWJKDPJ-UHFFFAOYSA-N,2,1,0.337,69,479,432.512,5.644,6,0.36,0.84,1.0,0.06780720992392571,0.13516037283256802,0.6515403330820368,0.6907854156671921,0.38632333287643067
EOS-2-25417,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cc5)n34)cc2)nc1,YATSITMRCHYPQN-UHFFFAOYSA-N,2,1,0.333,69,898,432.512,5.644,6,0.36,0.75,1.0,0.16336268932903844,0.21474710437941197,0.687178740319375,0.6991981358371598,0.44112166746624626
EOS-2-25418,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)cc1,CRVLQFJSSAURGC-UHFFFAOYSA-N,2,1,0.391,93,651,432.512,5.644,6,0.36,0.78,1.0,0.1307227057775341,0.1909738880131588,0.6980844356109931,0.7372524158727983,0.43925836131862106
EOS-2-25419,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)nc2)cc1,QOXJTPURKJNSSE-UHFFFAOYSA-N,2,1,0.307,30,737,432.512,5.644,6,0.36,0.84,1.0,0.10127818518264683,0.14265643204715237,0.62482009457885,0.6823212939483243,0.38776900143924337
EOS-2-25420,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)cc1,UDANXTNIMAUXGM-UHFFFAOYSA-N,2,1,0.397,69,695,432.512,5.644,6,0.36,0.74,1.0,0.09161469398944555,0.1695737098211226,0.7056918648481941,0.7288996641765472,0.42394498320882734
EOS-2-25421,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)nc5)n34)nc2)cc1,JGVJPOYWDABVBN-UHFFFAOYSA-N,2,1,0.326,30,737,432.512,5.644,6,0.36,0.78,1.0,0.08004077856212734,0.1656414913302721,0.627578644369817,0.6792200671646905,0.38812024535672673
EOS-2-25422,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)cc2)nc1,ZMILGUWAWXUONC-UHFFFAOYSA-N,2,1,0.348,32,479,432.512,5.644,6,0.36,0.8,1.0,0.11117298334589816,0.19559146048934276,0.6679888287300391,0.6907939825920087,0.4163868137893222
EOS-2-25423,c1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cs2)cc1,JYIRZSJTRBDEIZ-UHFFFAOYSA-N,2,1,0.385,93,93,432.512,5.644,6,0.36,0.76,1.0,0.055153861969707355,0.16565005825508874,0.5586920019189912,0.612415187444315,0.34797777739702557
EOS-2-25424,c1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)s2)cc1,QQPLYKCIWZPOTR-UHFFFAOYSA-N,2,1,0.373,93,651,432.512,5.644,6,0.36,0.67,1.0,0.09162326091426222,0.16182064286203823,0.6220015763141663,0.682329860873141,0.3894438352409019
EOS-2-25425,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)s5)n34)cc2)c1,NICCRNFLTLDLIP-UHFFFAOYSA-N,2,1,0.333,69,818,432.512,5.644,6,0.36,0.78,1.0,0.11118155027071483,0.19098245493797547,0.7391542731820986,0.7579586731546843,0.4498192378863683
EOS-2-25426,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)cc1,KNXGZZHJNQAPPF-UHFFFAOYSA-N,2,1,0.403,21,538,432.512,5.644,6,0.36,0.78,1.0,0.09388492906586252,0.1351689397573847,0.7469244739908163,0.7984973613871564,0.44361892605030495
EOS-2-25427,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)s5)n34)cc2)cc1,PZNAENZGNVTWRW-UHFFFAOYSA-N,2,1,0.379,93,987,432.512,5.644,6,0.36,0.75,1.0,0.06982900418065931,0.1695822767459393,0.622010143238983,0.6823384277979576,0.3859399629908848
EOS-2-25428,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)s5)n34)cc2)cc1,DIEUURBOXAQZRV-UHFFFAOYSA-N,2,1,0.385,93,651,432.512,5.644,6,0.36,0.77,1.0,0.16065554108697142,0.230116167500514,0.6515489000068535,0.7103951065725447,0.43817892879172093
EOS-2-25429,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)s5)n34)cc2)nc1,SETNBVPLLLGWDD-UHFFFAOYSA-N,2,1,0.354,32,126,432.512,5.644,6,0.36,0.79,1.0,0.09862243848947981,0.20029470221369336,0.6100507161949147,0.6359399629908848,0.3862269549722432
EOS-2-25430,c1ccc(-c2ccc(-c3nnc4cncc(-c5csc(-c6ccccn6)n5)n34)cc2)cc1,IYSLQEZUYCOODP-UHFFFAOYSA-N,2,1,0.397,93,651,432.512,5.644,6,0.36,0.76,1.0,0.08432424097046125,0.21475567130422862,0.5421064354739222,0.6182406963196491,0.3648567610170653
EOS-2-25431,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccsc6)c5)n34)cn2)nc1,NXDCIJHUZMDJHY-UHFFFAOYSA-N,2,1,0.293,32,174,432.512,5.644,6,0.36,0.69,1.0,0.1062641354259475,0.1501267904872867,0.6818929477074909,0.7157665684325955,0.4135126105133301
EOS-2-25432,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cccs5)cc4)n23)cc1,UQSLVVOSSNYJRU-UHFFFAOYSA-N,2,1,0.329,69,220,432.512,5.644,6,0.36,0.81,1.0,0.12772428209170036,0.15421321362483723,0.6303800287848674,0.7020166541018436,0.40358354465081214
EOS-2-25433,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cc5)n34)cc2)ccn1,GWHLFFPAZAZOII-UHFFFAOYSA-N,2,1,0.358,69,958,432.512,5.644,6,0.36,0.8,1.0,0.09389349599067918,0.19099102186279213,0.7444229319443493,0.7527071482420671,0.4455036495099719
EOS-2-25434,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5cccs5)n34)cc2)nc1,MCGHQWMMCGJXKZ-UHFFFAOYSA-N,2,1,0.333,69,479,432.512,5.644,6,0.36,0.8,1.0,0.13614556918648482,0.2197159207730793,0.6040624357480638,0.6416284010691522,0.40038808169419504
EOS-2-25435,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cc2)cc1,NUSFTRVBKBBGFY-UHFFFAOYSA-N,2,1,0.391,93,987,432.512,5.644,6,0.36,0.75,1.0,0.13855287505996847,0.2405763827016654,0.713299294085395,0.7476098279761497,0.46000959495579463
EOS-2-25436,c1ccc(-c2ccc(-c3nnc4cncc(-c5csc(-c6cccnc6)n5)n34)cc2)cc1,HFUMZPXUCMKYNK-UHFFFAOYSA-N,2,1,0.379,93,651,432.512,5.644,6,0.36,0.74,1.0,0.080049345486944,0.17839764238229044,0.6070951271331643,0.6731803851689397,0.3846806250428346
EOS-2-25437,c1cc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)c1,AXPBNJIRCOVQMF-UHFFFAOYSA-N,2,1,0.311,69,696,432.512,5.644,6,0.36,0.73,1.0,0.13073127270235077,0.17840620930710713,0.7815691179494209,0.8006390925913234,0.47283642313755053
EOS-2-25438,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)cc2)cc1,GZMIEUOVSZTVHC-UHFFFAOYSA-N,2,1,0.391,93,651,432.512,5.644,6,0.36,0.82,1.0,0.12483722842848331,0.1909995887876088,0.6398636145569186,0.6852597491604414,0.41024004523336305
EOS-2-25439,c1ccc(-c2ccc(-c3nnc4cncc(-c5csc(-c6ccccc6)n5)n34)cn2)cc1,ZRKREOLQEOSEEW-UHFFFAOYSA-N,2,1,0.365,30,93,432.512,5.644,6,0.36,0.77,1.0,0.048780069906106505,0.16959084367075594,0.5185302583784525,0.5969347543005963,0.3334589815639778
EOS-2-25440,c1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)cc2)c1,FJDHJCCOBIDXHA-UHFFFAOYSA-N,2,1,0.328,69,898,432.512,5.644,6,0.36,0.75,1.0,0.16337125625385512,0.2147642382290453,0.7367641011582482,0.7604345144267014,0.4688335275169625
EOS-2-25441,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cc2)ccn1,UCXJOOSJZBIMNS-UHFFFAOYSA-N,2,1,0.364,41,818,432.512,5.644,6,0.36,0.79,1.0,0.07777054348571037,0.17419984922212323,0.7677763689945857,0.7869234459598382,0.4516675519155644
EOS-2-25442,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cc5)n34)cn2)cc1,KQNJHPWVKDHYAE-UHFFFAOYSA-N,2,1,0.365,69,695,432.512,5.644,6,0.36,0.82,1.0,0.062427181139058326,0.15013535741210335,0.6428877390172024,0.6762130765540402,0.38291583853060107
EOS-2-25443,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)s5)n34)cc2)cc1,GZUHTXXROOMDJV-UHFFFAOYSA-N,2,1,0.403,21,810,432.512,5.644,6,0.36,0.73,1.0,0.10627270235076416,0.20030326913851004,0.48726954972243164,0.6182492632444657,0.3530236961140429
EOS-2-25444,c1ccc(-c2sccc2-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,KIQRGGXSFOGZQX-UHFFFAOYSA-N,2,1,0.413,69,220,432.512,5.644,6,0.36,0.74,1.0,0.13339558632033446,0.15014392433692003,0.6708244808443561,0.7075080529093277,0.41546801110273457
EOS-2-25445,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cc5)n34)cc2)nc1,FZUJZOJAWRTFOE-UHFFFAOYSA-N,2,1,0.383,69,695,432.512,5.644,6,0.36,0.8,1.0,0.07182509766294291,0.16959941059557262,0.6791515317661572,0.6908025495168254,0.4028446473853745
EOS-2-25446,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(OC6CCC6)n5)n34)cn2)cc1,LJIYMZCKHRZOMH-UHFFFAOYSA-N,2,1,0.367,89,205,467.489,3.859,6,0.38,0.67,1.0,0.5389880748406553,0.3703481598245494,0.11918305804948255,0.1810448221506408,0.302391028716332
EOS-2-25447,COc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1cn(C)cn1,GESWUMLJSBCTPG-UHFFFAOYSA-N,2,1,0.529,15,604,432.509,3.883,5,0.388,0.72,1.0,0.4634106641080118,0.2812178740319375,0.43771845658282504,0.28285415667192104,0.36630028784867386
EOS-2-25448,COc1cc(-c2nnc3cncc(OCc4ccsc4)n23)ccc1-c1cnc(C)n1C,XXVJSAJUMCGXTQ-UHFFFAOYSA-N,2,1,0.5,16,591,432.509,4.149,5,0.401,0.72,1.0,0.4426016037283257,0.23494791309711466,0.430162428894524,0.2498115276540333,0.33938086834349945
EOS-2-25449,COc1cc(-c2nnc3cncc(OCCc4cccs4)n23)ccc1-c1nccn1C,BFDSKHIPEDQCFA-UHFFFAOYSA-N,2,1,0.627,15,771,432.509,3.883,5,0.388,0.79,1.0,0.5363665958467548,0.34108354465081214,0.3082636556781578,0.1972020423548763,0.34572895963265027
EOS-2-25450,Cn1c(-c2cncc3nnc(-c4ccc(-c5ccsc5)s4)n23)nc2cc(F)ccc21,BZOSBYHCKITGPS-UHFFFAOYSA-N,2,1,0.272,10,155,432.509,5.274,6,0.382,0.72,0.99,0.13340415324515112,0.23012473442533068,0.42660715509560687,0.5527979576451237,0.3357335001028031
EOS-2-25451,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)s2)nn1,WGASHLRZRLHKKW-UHFFFAOYSA-N,2,1,0.333,38,635,467.493,4.276,6,0.378,0.66,1.0,0.292217805496539,0.3940100061681859,0.2500514015489,0.2768230416009869,0.30327556370365294
EOS-2-25452,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnsn6)cc5)n34)cc2F)cn1,RHRYBUGZPKKHRZ-UHFFFAOYSA-N,2,1,0.351,9,98,467.493,4.276,6,0.378,0.67,1.0,0.20525495168254404,0.28122644095675414,0.5216229182372696,0.5333681721609211,0.3853681207593722
EOS-2-25453,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)c(-c2ccc(F)cn2)n1,CBEQUTHJQMEFNW-UHFFFAOYSA-N,2,1,0.291,42,339,467.493,4.276,6,0.378,0.57,0.995,0.1714670002056062,0.2504283462408334,0.3490507847303132,0.4024227263381537,0.2933422143787266
EOS-2-25454,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnc(F)cn6)c5)n34)cc2)cs1,LQNJTMSXUWZWNH-UHFFFAOYSA-N,2,1,0.313,38,725,467.493,4.276,6,0.378,0.66,0.999,0.1688026865876225,0.2970581180179563,0.42307758207113977,0.41208621753135494,0.3252561510520184
EOS-2-25455,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6F)s5)n34)nc2)n1,YXWIXRCTSJSEAB-UHFFFAOYSA-N,2,1,0.283,70,541,467.493,4.276,6,0.354,0.69,0.31,0.11943149886916593,0.23495648002193134,0.21107189363306147,0.2529470221369337,0.20460172366527313
EOS-2-25456,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)c(-c2ccc(F)cc2)n1,LSRBZAPAPJKJGM-UHFFFAOYSA-N,2,1,0.329,32,572,467.493,4.276,6,0.378,0.61,0.992,0.1441642108148859,0.2866407374408882,0.3677866493043657,0.42469673086148996,0.30582208210540746
EOS-2-25457,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)c(F)c5)n34)s2)nn1,XIHDFAMEGHGGMN-UHFFFAOYSA-N,2,1,0.325,86,596,467.493,4.276,6,0.378,0.62,1.0,0.28943355493112194,0.41307141388527174,0.3343670755945446,0.3742632444657666,0.3527838222191762
EOS-2-25458,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)c(F)c2)s1,LYARVOPICRTNEL-UHFFFAOYSA-N,2,1,0.342,70,596,467.493,4.276,6,0.378,0.6,1.0,0.21345349873209513,0.3410921115756288,0.35670104859159757,0.377604345144267,0.32221275101089714
EOS-2-25459,Cc1nsc(-c2cnc(F)c(-c3cncc4nnc(-c5cnc(-c6ccccc6)cn5)n34)c2)n1,ILTBJXIYXUMRLV-UHFFFAOYSA-N,2,1,0.316,94,72,467.493,4.276,6,0.354,0.55,0.999,0.11416284010691523,0.23013330135014734,0.23937701322733193,0.3008361318621068,0.22112732163662532
EOS-2-25460,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2F)s1,QMQPAOAKZHGPGQ-UHFFFAOYSA-N,2,1,0.333,9,598,467.493,4.276,6,0.378,0.7,1.0,0.24121033513809884,0.34110067850044545,0.4266157220204235,0.46259680625042837,0.36788088547734904
EOS-2-25461,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6F)nc5)n34)s2)nn1,WWDXFKOAWKOKRX-UHFFFAOYSA-N,2,1,0.413,76,653,467.493,4.276,6,0.378,0.63,1.0,0.14990405044205332,0.35106401206223015,0.27571790829963677,0.3355578781440614,0.2780609622369954
EOS-2-25462,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5F)n34)nc2)nn1,CMYWBQVYDALQEY-UHFFFAOYSA-N,2,1,0.347,32,693,467.493,4.276,6,0.378,0.64,1.0,0.18291241176067438,0.3172503598108423,0.3716931670207662,0.39940716880268656,0.31781577684874235
EOS-2-25463,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncn6C)cc5)n34)n2C)no1,VBHFPXVKFZRIQN-UHFFFAOYSA-N,2,1,0.446,56,415,467.493,3.468,6,0.366,0.59,1.0,0.3750514015489,0.25043691316565003,0.207499485984511,0.13677095469810158,0.24243968884929062
EOS-2-25464,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cn5)n34)nc2)s1,JCPYWQRONVNXBK-UHFFFAOYSA-N,2,1,0.282,70,392,467.493,4.276,6,0.354,0.59,1.0,0.10628126927558083,0.24058494962648208,0.32679391405661024,0.35454218353779726,0.2570505791241176
EOS-2-25465,Cc1snnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)cn1,WVNKRBITHIIZKK-UHFFFAOYSA-N,2,1,0.333,42,608,467.493,4.276,6,0.378,0.65,1.0,0.18292097868549106,0.33618326365567813,0.2901874443149887,0.3386933726269618,0.28699626482077994
EOS-2-25466,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)nc2)s1,SXAZGXQFAFYKJP-UHFFFAOYSA-N,2,1,0.316,70,687,467.493,4.276,6,0.378,0.69,1.0,0.12208724556233294,0.25044548009046674,0.2791789459255706,0.3165821396751422,0.2420734528133781
EOS-2-25467,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc7ccccn67)n5)n34)nc2)cc1,GNQCVSPXGMXMCO-UHFFFAOYSA-N,2,1,0.282,30,737,467.496,4.625,7,0.372,0.67,1.0,0.08908745116852855,0.05345761085600713,0.32311870331025977,0.44353539853334245,0.22729979096703448
EOS-2-25468,c1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnc7ccccn67)n5)n34)cc2)cc1,URKXQTVDKFUDCT-UHFFFAOYSA-N,2,1,0.356,93,651,467.496,4.625,7,0.372,0.68,1.0,0.13856144198478515,0.10539030909464739,0.3867109862243849,0.519575423206086,0.28755954012747587
EOS-2-25469,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccnn6C)nn5C)n34)cc2)n[nH]1,LDUPRFBZFQZMTH-UHFFFAOYSA-N,2,1,0.412,56,415,467.497,2.598,6,0.396,0.6,1.0,0.3633746830237818,0.26584881091083545,0.08824789253649509,0.04714378726612295,0.19115379343430883
EOS-2-25470,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnnn6C)n5C)n34)cc2)n1,KRXKUPDVEKLRLH-UHFFFAOYSA-N,2,1,0.442,71,415,467.497,2.3,6,0.366,0.58,1.0,0.3027722568706737,0.27625762456308683,0.09283119731341238,0.0692464532931259,0.18527688301007472
EOS-2-25471,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)n(C)n1,SEUXFQYDBHYJDM-UHFFFAOYSA-N,2,1,0.347,67,789,467.497,2.996,6,0.367,0.55,1.0,0.29222637242135563,0.1956000274141594,0.06582825029127544,0.045764512370639436,0.14985479062435747
EOS-2-25472,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(C6COC6)cc5)n34)cn2)cc1,YPWOIKMZMRTIRQ-UHFFFAOYSA-N,2,1,0.65,91,660,467.504,4.728,6,0.345,0.75,1.0,0.9260417380577068,0.8233500102803097,0.8569666232609142,0.8315828250291275,0.8594852991570145
EOS-2-25473,Fc1ccc(-c2cscc2-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cc4)n23)cc1,UJZYEHBDGALBFM-UHFFFAOYSA-N,2,1,0.387,69,30,467.504,6.527,6,0.296,0.7,1.0,0.32564594613117676,0.4882804468507984,0.9442293194434925,0.9582533753683777,0.6791022719484614
EOS-2-25474,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(C#N)cs5)n34)cn2)s1,VIFULLQNCHJBLJ-UHFFFAOYSA-N,2,1,0.461,4,464,432.494,3.525,5,0.414,0.63,1.0,0.4906791857994654,0.5961722979919128,0.13034576108560073,0.10993077924748132,0.3317820060311151
EOS-2-25475,Cc1nc(-c2cc(-c3nnc4cncc(OCc5nc(C#N)cs5)n34)ccn2)cs1,GUWIEULAAWHLQM-UHFFFAOYSA-N,2,1,0.5,24,464,432.494,3.525,5,0.414,0.73,1.0,0.4682252758549791,0.5432030018504558,0.1273901720238503,0.10759200877253101,0.3116026146254541
EOS-2-25476,N#Cc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)c2)cc1,BPEYGILMPYWBCS-UHFFFAOYSA-N,2,1,0.446,21,452,467.507,6.803,6,0.286,0.79,1.0,0.4330923171818244,0.730296072921664,0.9783513809882805,0.984836543074498,0.7816440785415667
EOS-2-25477,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cc2)n1,ZMLFGOPSJKAXJA-UHFFFAOYSA-N,2,1,0.333,9,98,432.491,4.259,6,0.416,0.69,1.0,0.1062898362003975,0.0534661777808238,0.5351843602220547,0.47493317798643,0.2924683880474265
EOS-2-25478,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cnn(C)c4-c4ccccc4)n23)cc1,QATBUOXYWPDHCW-UHFFFAOYSA-N,2,1,0.357,9,98,432.491,4.259,6,0.416,0.73,1.0,0.07370982112260983,0.020260777191419367,0.38304434240285107,0.40880508532657117,0.22145500651086286
EOS-2-25479,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)n1C,LRNAZZYYULNNQZ-UHFFFAOYSA-N,2,1,0.329,30,668,432.491,4.353,6,0.414,0.79,1.0,0.03421629771777123,0.03570694263587143,0.4731683914741964,0.43435165512987456,0.2443608217394284
EOS-2-25480,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccccc5)n34)cc2)cn1,LMLSIZITXRHSTE-UHFFFAOYSA-N,2,1,0.368,9,625,432.491,4.259,6,0.416,0.7,1.0,0.042894592557055716,0.05347474470564046,0.5216314851620862,0.5093465149749846,0.2818368343499418
EOS-2-25481,Cc1c(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(-c2ccccc2)nn1C,WJUCYSCZDCVWNM-UHFFFAOYSA-N,2,1,0.302,30,668,432.491,4.353,6,0.414,0.73,1.0,7.710232335001028e-05,0.015437598519635392,0.2246847371667466,0.2886710986224385,0.13221763415804264
EOS-2-25482,Cc1nn(C)c(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,AEAUJTNXBWVKSK-UHFFFAOYSA-N,2,1,0.349,69,625,432.487,5.427,6,0.371,0.68,1.0,0.05874340346789116,0.022496744568569666,0.4904221780549654,0.5298385991364539,0.27537523130697006
EOS-2-25483,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)nn1C,RAPFVWWXCDFLJQ-UHFFFAOYSA-N,2,1,0.368,93,651,432.487,5.427,6,0.371,0.76,1.0,0.12773284901651702,0.10539887601946406,0.597611541361113,0.5849067918579947,0.3539125145637722
EOS-2-25484,Cc1csc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)n2)n1,WWUXTYYKAAHXAG-UHFFFAOYSA-N,2,1,0.436,28,984,467.514,4.852,6,0.342,0.64,1.0,0.3256545130559934,0.34110924542526216,0.23559043245836475,0.20016619834144336,0.27563009732026594
EOS-2-25485,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3)n12,XFXSLTUTLDYLNV-UHFFFAOYSA-N,2,1,0.341,9,152,467.514,4.949,6,0.351,0.75,1.0,0.3027808237954904,0.16565862517990543,0.46984442464532933,0.3545507504626139,0.32320865602083476
EOS-2-25486,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccoc6)cn5)n34)cc2)cs1,XPTPGLFTKMIAAT-UHFFFAOYSA-N,2,1,0.478,40,25,467.514,4.852,6,0.342,0.65,1.0,0.4659893084778288,0.42219518881502294,0.3867195531492016,0.31351518059077516,0.39710480775820717
EOS-2-25487,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cc2)o1,MQYPCLJZHMHNQP-UHFFFAOYSA-N,2,1,0.553,41,592,467.514,4.852,6,0.342,0.65,1.0,0.46823384277979574,0.5022531012267837,0.4662291823726955,0.35784901651703105,0.44864128572407647
EOS-2-25488,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccccc6)s5)n34)cc2)no1,QJOOJJFLRARUBB-UHFFFAOYSA-N,2,1,0.554,12,857,467.514,4.852,6,0.342,0.73,1.0,0.5389966417654719,0.4036563635117538,0.2355989993831814,0.21222842848331164,0.3476201082859297
EOS-2-25489,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnsc6)c5)n34)cc2)o1,HGRNTUAIRYPYNY-UHFFFAOYSA-N,2,1,0.512,77,190,467.514,4.852,6,0.342,0.69,1.0,0.5181704475361524,0.3894267013912686,0.4731769583990131,0.4088136522513878,0.4473969398944555
EOS-2-25490,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)o5)n34)cc2)cn1,FYWBGNFEQCGSNP-UHFFFAOYSA-N,2,1,0.506,40,25,467.514,4.852,6,0.342,0.63,1.0,0.5544171064354739,0.557381262422041,0.48349153587828114,0.3776129120690837,0.49322570420121997
EOS-2-25491,Cc1csc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnoc6)cn5)n34)cc2)n1,HEEJLAXCNDGCNK-UHFFFAOYSA-N,2,1,0.554,41,592,467.514,4.852,6,0.342,0.63,1.0,0.4059008978137208,0.38943526831608527,0.4450003426769927,0.3516037283256802,0.3979850592831198
EOS-2-25492,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cc5)n34)cc2)n1,NGXFOVYHWFWDPP-UHFFFAOYSA-N,2,1,0.518,77,427,467.514,4.852,6,0.342,0.76,1.0,0.587965184017545,0.47071825097662945,0.4377270235076417,0.3614471249400315,0.4644643958604619
EOS-2-25493,Oc1cc(-c2nnc3cncc(OCc4ccn(-c5ccccc5)n4)n23)ccc1-c1nccs1,LUDQMUKRXZTVML-UHFFFAOYSA-N,2,1,0.461,77,177,467.514,4.385,6,0.388,0.68,1.0,0.1914279350284422,0.26041738057706804,0.3830529093276677,0.33556644506887806,0.292616167500514
EOS-2-25494,Cc1ncoc1-c1ccnc(-c2nnc3cncc(OCc4cccc(-c5cncs5)c4)n23)c1,QKIQDVZEXGXXHG-UHFFFAOYSA-N,2,1,0.413,28,78,467.514,4.852,6,0.342,0.67,1.0,0.36112158179699816,0.18252690014392434,0.4414707696525255,0.36463402097183195,0.33743831814131997
EOS-2-25495,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccon6)c5)n34)cc2)cs1,WCGLAGUFCVNGCU-UHFFFAOYSA-N,2,1,0.536,28,120,467.514,4.852,6,0.342,0.74,1.0,0.5031440614077171,0.42220375573983965,0.4301709958193407,0.34501576314166266,0.42513364402714
EOS-2-25496,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cccs6)cn5)n34)cc2)o1,ATKNBYVKWYXCJG-UHFFFAOYSA-N,2,1,0.461,40,518,467.514,4.852,6,0.342,0.69,1.0,0.5909293400041121,0.5573898293468577,0.3677952162291824,0.2977177712288397,0.453458039202248
EOS-2-25497,Cc1nsc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)n1,NVMMOBDLIQKBPQ-UHFFFAOYSA-N,2,1,0.688,91,742,432.484,4.379,5,0.396,0.71,1.0,0.6193543965458159,0.7025392365156603,0.45229079569597697,0.45954698101569463,0.558432852443287
EOS-2-25498,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)s1,IACHMWCYJGVPDF-UHFFFAOYSA-N,2,1,0.667,91,628,432.484,4.379,5,0.396,0.76,1.0,0.7861438558015215,0.8039973271194572,0.4591529024741279,0.4720118566239463,0.6303264855047632
EOS-2-25499,Cc1nc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)ccc1F,HUSVXTYKPLJTOQ-UHFFFAOYSA-N,2,1,0.457,18,181,432.484,4.379,5,0.396,0.68,1.0,0.6136830923171819,0.5109313960660681,0.5113597423069015,0.4688677952162292,0.5262105064765952
EOS-2-25500,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2F)s1,IOJLHINEAVTGPJ-UHFFFAOYSA-N,2,1,0.747,91,309,432.484,4.379,5,0.396,0.81,1.0,0.9064748817764375,0.9113580289219382,0.4341374820094579,0.44994345829621,0.6754784627510109
EOS-2-25501,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cs1,XJBSTCFVHNTQOS-UHFFFAOYSA-N,2,1,0.544,11,684,432.484,4.379,5,0.396,0.8,1.0,0.7243763278733466,0.6973219793023097,0.480193269823864,0.4532245905009938,0.5887790418751285
EOS-2-25502,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)cs1,ZWIYBVSOFBPWRS-UHFFFAOYSA-N,2,1,0.554,11,684,432.484,4.379,5,0.371,0.83,1.0,0.7745014049756699,0.7443372626961826,0.542115002398739,0.4809128915084641,0.6354666403947639
EOS-2-25503,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ccc2F)cn1,GVTRAWFWKPAVEA-UHFFFAOYSA-N,2,1,0.573,35,426,432.484,4.379,5,0.396,0.73,1.0,0.9033051195942704,0.8747858268795833,0.6100592831197313,0.5753889383866767,0.7408847919950654
EOS-2-25504,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5F)n34)c2)cs1,ZOTJYYCDYOBBRY-UHFFFAOYSA-N,2,1,0.529,11,684,432.484,4.379,5,0.371,0.84,1.0,0.7745099719004866,0.7613854430813515,0.5080357754780344,0.45620588033719417,0.6250342676992666
EOS-2-25505,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)cs1,AALGBDFGFSONOL-UHFFFAOYSA-N,2,1,0.528,11,684,432.484,4.379,5,0.396,0.83,1.0,0.7181396066068124,0.6777465560962237,0.5587005688438078,0.5163970940991022,0.6177459564114866
EOS-2-25506,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cs1,NIRKNGUYWUVLRE-UHFFFAOYSA-N,2,1,0.545,11,684,432.484,4.379,5,0.396,0.84,1.0,0.7060431087656774,0.672812007401823,0.565502707148242,0.5131330957439517,0.6143727297649235
EOS-2-25507,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)cs1,WVDJMQBKVMJXJE-UHFFFAOYSA-N,2,1,0.505,11,848,432.484,4.379,5,0.371,0.82,1.0,0.7425039407854157,0.6876499211842917,0.44500890960180933,0.4088222191762045,0.5709962476869302
EOS-2-25508,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)cs1,JAFLKTICNCFETN-UHFFFAOYSA-N,2,1,0.545,11,684,432.484,4.379,5,0.396,0.82,1.0,0.7485350558563498,0.682612569392091,0.5351929271468714,0.4961877184565828,0.6156320677129737
EOS-2-25509,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)nn1,ZQQPWEBBZOIIQD-UHFFFAOYSA-N,2,1,0.534,40,25,467.518,3.684,6,0.365,0.63,1.0,0.2922349393461723,0.28123500788157085,0.25709341374820094,0.20323315742581044,0.25844912960043864
EOS-2-25510,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4)n23)cc1,ULIZFFVBTGHLKU-UHFFFAOYSA-N,2,1,0.524,77,245,467.518,3.684,6,0.365,0.66,1.0,0.40167740387910356,0.26042594750188475,0.3756253855116167,0.3355750119936947,0.34332593722157495
EOS-2-25511,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cc1,BTXOCGGECUAQMC-UHFFFAOYSA-N,2,1,0.553,40,415,467.518,3.684,6,0.365,0.65,1.0,0.4104499348913714,0.30699575080529096,0.26076862449455146,0.21780549653896236,0.29900495168254404
EOS-2-25512,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)ns4)n23)cc1,XOJCPWNUKATBIB-UHFFFAOYSA-N,2,1,0.452,40,8,467.518,3.684,6,0.365,0.71,1.0,0.39746247686930297,0.3122130080186416,0.16419368103625523,0.15925913234185457,0.2582820745665136
EOS-2-25513,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nccs6)n5)n34)cn2)c1,YVYOVVXBTDRSJI-UHFFFAOYSA-N,2,1,0.489,6,297,467.518,3.684,6,0.365,0.66,1.0,0.3658505242957988,0.39401857309300253,0.1703961346035227,0.13020012336371736,0.26511633883901037
EOS-2-25514,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)cn1,KQEKAYHIPVKDKQ-UHFFFAOYSA-N,2,1,0.442,80,34,467.518,3.684,6,0.365,0.7,1.0,0.44715920773079293,0.3940271400178192,0.13643684463025152,0.10993934617229799,0.2718906346377904
EOS-2-25515,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)cn1,RFVLSFPGTSEIHR-UHFFFAOYSA-N,2,1,0.418,40,59,467.518,3.684,6,0.365,0.62,1.0,0.3909087793845521,0.33619183058049484,0.2500599684737167,0.19721060927969297,0.29359279692961415
EOS-2-25516,Cn1cc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)s2)cn1,CXKYUPKAOJBNGB-UHFFFAOYSA-N,2,1,0.44,6,297,467.518,3.684,6,0.365,0.67,1.0,0.34976183949009665,0.25554280035638405,0.1704047015283394,0.13677952162291823,0.2281222157494346
EOS-2-25517,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)cn1,YFRUUOMKPOZHBV-UHFFFAOYSA-N,2,1,0.452,40,350,467.518,3.684,6,0.365,0.75,1.0,0.3308289356452608,0.317258926735659,0.2537266122952505,0.20017476526626002,0.27549730998560756
EOS-2-25518,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6nccs6)n5)n34)cc2)n1,RAYBFJRMPFBINO-UHFFFAOYSA-N,2,1,0.495,40,25,467.518,3.684,6,0.365,0.68,1.0,0.40363922966212046,0.379900280995134,0.1545387567678706,0.12167603317113289,0.2649385751490645
EOS-2-25519,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)s5)n34)cn2)n[nH]1,BDJOMBBFDBHSSP-UHFFFAOYSA-N,2,1,0.426,6,843,467.518,3.982,6,0.391,0.55,0.994,0.5131245288191351,0.506913508327051,0.18343499417449113,0.14377869919813585,0.33681293262970324
EOS-2-25520,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cn5)n34)c2)s1,CWXKHJBCJSMSIK-UHFFFAOYSA-N,2,1,0.464,81,932,467.518,3.778,6,0.364,0.61,1.0,0.22162634500719622,0.1956085943389761,0.2246933040915633,0.17810636693852375,0.20500865259406484
EOS-2-25521,Cn1nccc1-c1nccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)n1,QRWPMERUTLWZNG-UHFFFAOYSA-N,2,1,0.484,40,120,467.518,3.684,6,0.365,0.58,1.0,0.37262696182578303,0.2866493043657049,0.18998012473442533,0.15384483585772052,0.2507753066959084
EOS-2-25522,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cscn5)n4)n23)cn1,HRBQEMVYGSAOPJ-UHFFFAOYSA-N,2,1,0.468,6,297,467.518,3.684,6,0.365,0.62,1.0,0.35891131519429786,0.3070043177301076,0.16735487629360565,0.13248749228976767,0.2414395003769447
EOS-2-25523,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)s1,ULONUFVSDSMERA-UHFFFAOYSA-N,2,1,0.5,81,932,467.518,3.778,6,0.364,0.66,1.0,0.259826262764718,0.234965046946748,0.19683366458775958,0.15385340278253717,0.21136959427044066
EOS-2-25524,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccs5)cn4)n23)cn1,ODYOYCRAFOVXCZ-UHFFFAOYSA-N,2,1,0.398,80,855,467.518,3.684,6,0.365,0.75,1.0,0.44465766568432596,0.3894438352409019,0.15167740387910356,0.12604516482763348,0.27795601740799125
EOS-2-25525,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cn2)n1,ALPIAHCFMZDNOA-UHFFFAOYSA-N,2,1,0.494,6,297,467.518,3.684,6,0.365,0.62,1.0,0.3497704064149133,0.30184702899047355,0.2607771914193681,0.19721917620450963,0.27740345075731615
EOS-2-25526,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)n1,YJQKQXHPJRMTDD-UHFFFAOYSA-N,2,1,0.457,40,2,467.518,3.684,6,0.365,0.56,1.0,0.3909173463093688,0.2504540470152834,0.24280378315399903,0.2032417243506271,0.27185422520731956
EOS-2-25527,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncs6)n5)n34)nc2)n1,YEXSTBYUXHCGQG-UHFFFAOYSA-N,2,1,0.412,6,280,467.518,3.684,6,0.365,0.61,1.0,0.2412189020629155,0.25046261394010005,0.217634158042629,0.16450209032965527,0.21845444109382495
EOS-2-25528,OCCn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)nc1,GRUDDRPCGUXGMS-UHFFFAOYSA-N,2,1,0.282,70,191,467.518,3.228,6,0.396,0.68,1.0,0.09638647111232952,0.10880851209649785,0.14251936125008566,0.1437872661229525,0.12287540264546638
EOS-2-25529,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6cnccn6)n5)n34)cc2)n[nH]1,KKACEXAPBOQMRG-UHFFFAOYSA-N,2,1,0.453,40,763,467.518,3.982,6,0.391,0.61,1.0,0.414844767322322,0.4358337331231581,0.2038756767870605,0.16713213624837228,0.3054215783702282
EOS-2-25530,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)s4)n23)cc1,BKKDNJACAIEWMB-UHFFFAOYSA-N,2,1,0.484,40,117,467.518,3.684,6,0.365,0.58,1.0,0.44716777465560964,0.3362003975053115,0.1673634432184223,0.1464772805153862,0.2743022239736824
EOS-2-25531,COc1ncc(-c2nncn2C)cc1-c1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,IOBJNIPXSLRDIF-UHFFFAOYSA-N,2,1,0.308,98,642,467.518,3.781,6,0.377,0.72,1.0,0.15799122746898772,0.10210060996504694,0.1802223973682407,0.14150846412171886,0.14545567473099855
EOS-2-25532,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)c2)s1,KNEJHGUUUOPGPU-UHFFFAOYSA-N,2,1,0.479,81,932,467.518,3.778,6,0.364,0.63,1.0,0.18292954561030772,0.21477280515386196,0.18023096429305738,0.1487646494414365,0.1816744911246659
EOS-2-25533,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)nc2)cs1,GECKNGHHUFCIIQ-UHFFFAOYSA-N,2,1,0.404,6,547,467.518,3.778,6,0.364,0.69,1.0,0.16881125351243917,0.1462117058460695,0.21425022274004524,0.15386196970735386,0.17078378795147695
EOS-2-25534,Cn1ccc(-c2nccnc2COc2cncc3nnc(-c4cc(-c5cccs5)ccn4)n23)n1,WNFBBFSPAYMHNZ-UHFFFAOYSA-N,2,1,0.389,6,181,467.518,3.684,6,0.365,0.63,1.0,0.21610067850044548,0.13517750668220135,0.12475155918031663,0.12168460009594956,0.14942858611472826
EOS-2-25535,Cn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c1,JVQXSSSAVQIDNL-UHFFFAOYSA-N,2,1,0.478,40,2,467.518,3.684,6,0.365,0.59,1.0,0.4331008841066411,0.25555136728120076,0.304751216503324,0.2529555890617504,0.31158976423822904
EOS-2-25536,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccccn6)s5)n34)nc2)n[nH]1,DXAYXASBURQQDH-UHFFFAOYSA-N,2,1,0.432,6,297,467.518,3.982,6,0.391,0.62,0.789,0.4170893016242889,0.3654221780549654,0.1516859708039202,0.12605373175245013,0.26506279555890616
EOS-2-25537,COc1cc(-c2cscn2)ccc1-c1nnc2cncc(-c3ccc(-c4cnn(C)n4)cn3)n12,PYGMWIFMDRZTJV-UHFFFAOYSA-N,2,1,0.33,38,193,467.518,3.781,6,0.377,0.62,1.0,0.11692138989788226,0.05727845932424097,0.29374271811390584,0.21522685216914536,0.1707923548762936
EOS-2-25538,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cn5)n34)cc2)n[nH]1,JZICHFWSWITDEJ-UHFFFAOYSA-N,2,1,0.489,81,117,467.518,3.982,6,0.391,0.55,1.0,0.34977897333972996,0.37990884791995067,0.34137482009457887,0.28567267493660475,0.33918382907271605
EOS-2-25539,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5csnn5)n4)n23)c1,KPYYWAGRUPSLJW-UHFFFAOYSA-N,2,1,0.443,81,218,467.518,3.684,6,0.365,0.6,1.0,0.23274621341923105,0.182535467068741,0.2642125282708519,0.23536769241313138,0.22871547529298883
EOS-2-25540,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6n[nH]c(=N)s6)cc5)n34)cc2)cn1,BXYCLIWLTFVEIV-UHFFFAOYSA-N,2,1,0.476,9,722,467.518,3.915,6,0.396,0.69,1.0,0.36338324994859844,0.31726749366047563,0.4048557329860873,0.31955486258652593,0.3512653347954218
EOS-2-25541,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)nc5)n34)c2)s1,QPMWDYXTCNTTHU-UHFFFAOYSA-N,2,1,0.5,81,247,467.518,3.778,6,0.364,0.65,1.0,0.262507710232335,0.18254403399355768,0.22136933726269617,0.17263210198067303,0.20976329586731546
EOS-2-25542,Cn1nncc2nc-2cccc1COc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,RJMWPPBZINMSKY-UHFFFAOYSA-N,2,1,0.402,5,548,467.518,4.342,6,0.432,0.42,0.043,0.4931550270714824,0.39403570694263584,0.04857446371050648,0.00965492426838462,0.23635503049825235
EOS-2-25543,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)nn2)cn1,VIPVADCVKCPQMR-UHFFFAOYSA-N,2,1,0.365,6,826,467.518,3.684,6,0.365,0.54,1.0,0.23003049825234734,0.14622027277088617,0.13964087451168528,0.1538705366321705,0.16744054554177232
EOS-2-25544,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccn(C)n6)cc5)n34)nc2)s1,NMIAEZYSRCYDIP-UHFFFAOYSA-N,2,1,0.381,67,622,467.518,4.206,6,0.371,0.67,1.0,0.3078353094373244,0.30701288465492427,0.2038842437118772,0.14877321636625318,0.24187641354259476
EOS-2-25545,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3sc(C)nc3-c3ccccn3)n12,BADNQPIPBBMRGJ-UHFFFAOYSA-N,2,1,0.284,38,154,467.518,4.079,6,0.403,0.54,0.994,0.19404941402234255,0.13518607360701804,0.12213864711123296,0.10760057569734768,0.1397436776094853
EOS-2-25546,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nncn6C)cc5)n34)cn2)s1,HOYARAAJRUDSMX-UHFFFAOYSA-N,2,1,0.459,67,870,467.518,4.206,6,0.371,0.68,1.0,0.3404838599136454,0.3070214515797409,0.20750805290932767,0.17264066890548968,0.25691350832705095
EOS-2-25547,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)cs4)n23)nc1,MFGIFDDVBZFTSR-UHFFFAOYSA-N,2,1,0.409,81,363,467.518,3.684,6,0.365,0.68,1.0,0.28396785689808784,0.24059351655129874,0.10533890754574737,0.11480535946816531,0.1861764101158248
EOS-2-25548,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccncc6)ns5)n34)cc2)n1,LDEQIMJTCMNEKI-UHFFFAOYSA-N,2,1,0.451,40,25,467.518,3.684,6,0.365,0.67,1.0,0.3843208142005346,0.33620896443012815,0.15454732369268728,0.14151703104653554,0.2541485333424714
EOS-2-25549,COc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)s1,OVQGUJZRZUVWBD-UHFFFAOYSA-N,2,1,0.349,25,791,467.518,3.781,6,0.377,0.73,1.0,0.12484579535329998,0.09892228085806319,0.17390000685353985,0.1566462202727709,0.1385785758344185
EOS-2-25550,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(OCc3cnnc(-c4cccs4)n3)n12,AKCQSYYXZZAHHG-UHFFFAOYSA-N,2,1,0.406,6,826,467.518,3.684,6,0.365,0.65,0.944,0.21610924542526214,0.14622883969570283,0.06583681721609211,0.087476869302995,0.12891294291001304
EOS-2-25551,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncs6)n5)n34)cc2)n1,DWJKYHJUQIFUCW-UHFFFAOYSA-N,2,1,0.441,40,350,467.518,3.684,6,0.365,0.68,1.0,0.3750599684737167,0.3606589678568981,0.26078575834418477,0.2122369954081283,0.30218542252073194
EOS-2-25552,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6nc[nH]n6)c5)n34)ccn2)s1,PLMIXVSGTMKJFV-UHFFFAOYSA-N,2,1,0.458,40,183,467.518,3.982,6,0.391,0.66,1.0,0.4353796861078747,0.3894524021657186,0.27918751285038723,0.2234082653690631,0.3318569666232609
EOS-2-25553,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccnc(-c6ccsc6)c5)n34)n2)nn1,HQGGNQKDNQAKKG-UHFFFAOYSA-N,2,1,0.467,6,597,467.518,3.684,6,0.365,0.66,1.0,0.21611781235007882,0.17420841614693988,0.20751661983414432,0.1862877801384415,0.19603265711740114
EOS-2-25554,Cn1cnc(-c2ccccn2)c1COc1cncc2nnc(-c3ccc(-c4cscn4)cn3)n12,PUUIUQKHRROJKF-UHFFFAOYSA-N,2,1,0.461,6,297,467.518,3.684,6,0.365,0.61,1.0,0.3332448084435611,0.27104036734973613,0.13035432801041738,0.11934582962099925,0.21349633335617846
EOS-2-25555,Cc1nnsc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)ccn1,SQSQQCZLPUPGRX-UHFFFAOYSA-N,2,1,0.457,40,763,467.518,3.982,6,0.391,0.62,1.0,0.412548831471455,0.4036649304365705,0.23212939483243095,0.22062401480364607,0.3172417928860256
EOS-2-25556,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncs5)n4)n23)cc1,NFMXVEIRPCUDLL-UHFFFAOYSA-N,2,1,0.451,56,355,467.518,3.684,6,0.365,0.67,1.0,0.4587588239325612,0.37035672674936604,0.22840278253718047,0.18629634706325818,0.31095367007059144
EOS-2-25557,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,HNWBPXSDFBRBOZ-UHFFFAOYSA-N,2,1,0.461,40,25,467.518,3.684,6,0.365,0.66,0.997,0.37737303817421697,0.3843979165238846,0.08091460489342746,0.09127201699677884,0.23348939414707698
EOS-2-25558,COc1cc(-c2nc(C)cs2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cn3)n12,HEUZVPGCVZUQTF-UHFFFAOYSA-N,2,1,0.309,38,154,467.518,4.079,6,0.403,0.66,1.0,0.152619765608937,0.1284610376259338,0.22841134946199712,0.15926769926667123,0.1671899629908848
EOS-2-25559,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)cn1,ZNXLJFYUQFKFCF-UHFFFAOYSA-N,2,1,0.432,40,518,467.518,3.684,6,0.365,0.7,1.0,0.42187821259680625,0.36066753478171476,0.2607943252690014,0.19454629566170928,0.3094715920773079
EOS-2-25560,COc1ncc(-c2cnn(C)c2)cc1-c1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,LJTBVSGQDBRSLL-UHFFFAOYSA-N,2,1,0.311,98,725,467.518,3.781,6,0.377,0.68,1.0,0.08217394284147762,0.08645740524981153,0.35297443629634706,0.26212219861558494,0.1959319957508053
EOS-2-25561,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cnc(C)n6C)nc5)n34)s2)nn1,OYMHZEZGXAFOKX-UHFFFAOYSA-N,2,1,0.263,86,794,467.522,3.179,6,0.384,0.55,1.0,0.050270714824206704,0.07259612089644302,0.03011274073058735,0.021837091357686245,0.043704166952230825
EOS-2-25562,Cc1cnc(-c2cc(CO)nc(-c3nnc4cncc(OCc5cncs5)n34)c2)cn1,YSDRRZXEKQDOSE-UHFFFAOYSA-N,2,1,0.415,7,720,432.469,2.48,5,0.431,0.66,1.0,0.31579398259200875,0.23014186827496402,0.14540641491330272,0.09920498937701323,0.19763681378932219
EOS-2-25563,COc1nc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1nccc(C)n1,VNRMKNXALRVFBP-UHFFFAOYSA-N,2,1,0.44,49,896,432.469,2.996,5,0.399,0.57,1.0,0.3974710437941197,0.18255260091837433,0.05795524638475773,0.026917277773970256,0.16622404221780548
EOS-2-25564,Cc1nc(-c2cnc(CO)nc2)cc(-c2nnc3cncc(OCc4cccs4)n23)n1,BEOGYCURVXGXJJ-UHFFFAOYSA-N,2,1,0.472,7,113,432.469,2.48,5,0.431,0.7,1.0,0.3611301487218148,0.3172760605852923,0.08583201973819478,0.059522993626207936,0.20594030566787744
EOS-2-25565,Cc1csc(COc2cncc3nnc(-c4cc(-c5ccc(CO)nc5)ncn4)n23)n1,SJDGKQQCIXQVPS-UHFFFAOYSA-N,2,1,0.411,7,238,432.469,2.48,5,0.431,0.67,0.999,0.3282160235761771,0.2658573778356521,0.10534747447056404,0.07109690905352614,0.19262944623397985
EOS-2-25566,OCCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)cn1,WGCVFAKPEZPDLJ-UHFFFAOYSA-N,2,1,0.466,75,441,432.469,2.214,5,0.412,0.63,0.999,0.30278939072030703,0.2455280652456994,0.09754300596257967,0.08214824206702762,0.18200217599890345
EOS-2-25567,COc1nc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cncc(C)n1,CDACEQUCBSIRFT-UHFFFAOYSA-N,2,1,0.44,7,62,432.469,2.996,5,0.399,0.53,1.0,0.33083750257007744,0.16960797752038928,0.08346754848879447,0.04316016722637242,0.1567682989514084
EOS-2-25568,c1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C6COC6)c5)nc4)n23)sn1,XJUCRDVQHDJGSG-UHFFFAOYSA-N,2,1,0.435,92,468,432.469,2.657,6,0.403,0.57,1.0,0.19143650195325887,0.19561716126379275,0.09755157288739634,0.10545027756836406,0.14751387841820301
EOS-2-25569,COCc1cncc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ccn2)n1,POBDHSRLOALGAH-UHFFFAOYSA-N,2,1,0.472,7,99,432.469,2.825,5,0.383,0.66,1.0,0.370331025974916,0.2048865739154273,0.15455589061750394,0.10994791309711466,0.20993035090124046
EOS-2-25570,COCc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)n1,WHESFNDDATWXOP-UHFFFAOYSA-N,2,1,0.467,55,879,432.469,2.825,5,0.383,0.66,1.0,0.3726355287505997,0.3266996778836269,0.10535604139538071,0.07508052909327667,0.219942944280721
EOS-2-25571,COc1cncc(-c2nsc(COc3cncc4nnc(-c5ccc(C)cc5)n34)n2)n1,CZNAXZCHGZUMIF-UHFFFAOYSA-N,2,1,0.494,7,408,432.469,2.996,5,0.399,0.71,1.0,0.4016859708039202,0.40367349736138713,0.05046775409499006,0.03814851620862175,0.22349393461722977
EOS-2-25572,COc1nc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1nccs1,XEZQRZFQPSXVMZ-UHFFFAOYSA-N,2,1,0.44,49,501,432.469,2.73,5,0.383,0.64,0.999,0.40364779658693717,0.24060208347611542,0.06782434377355905,0.041977931601672264,0.188513038859571
EOS-2-25573,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c(-c2ccc(F)cc2)n1,YVQCITZSPSGKOU-UHFFFAOYSA-N,2,1,0.301,42,693,467.533,5.604,6,0.33,0.75,1.0,0.1012867521074635,0.24553663217051608,0.5587091357686245,0.6182578301692825,0.3809475875539716
EOS-2-25574,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cc4)n23)c(F)c1,ZJNICPVSMZUHDL-UHFFFAOYSA-N,2,1,0.322,9,38,467.533,5.604,6,0.33,0.69,1.0,0.2705177849359194,0.317284627510109,0.5814885888561442,0.6416369679939689,0.4527319923240353
EOS-2-25575,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccc(F)c5)n34)s2)nn1C,QIRWTCJQYOLIDC-UHFFFAOYSA-N,2,1,0.357,76,653,467.533,5.43,6,0.346,0.62,0.999,0.10383112877801384,0.28665787129052156,0.49043074497978206,0.5195839901309026,0.35012593379480506
EOS-2-25576,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5)n34)c(F)c2)n1,RZXYQFVHMSCUDQ-UHFFFAOYSA-N,2,1,0.321,9,867,467.533,5.43,6,0.346,0.74,1.0,0.23567610170653142,0.36543074497978206,0.610067850044548,0.5786272359673772,0.44745048317455965
EOS-2-25577,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)s2)n1C,QEORJLAXXTXYHT-UHFFFAOYSA-N,2,1,0.392,3,74,467.533,5.43,6,0.346,0.73,0.821,0.2052635186073607,0.4487269549722432,0.45581180179562747,0.5563275306695908,0.41653245151120555
EOS-2-25578,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)c(-c2ccc(F)cc2)n1,SLQKYFPATUJROC-UHFFFAOYSA-N,2,1,0.333,76,126,467.533,5.604,6,0.33,0.71,1.0,0.08005791241176068,0.2003118360633267,0.44854704955109315,0.5164056610239188,0.3113306147625249
EOS-2-25579,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(C)[nH]n6)cc5F)n34)s2)n1,WFZUKVUMHXEDQO-UHFFFAOYSA-N,2,1,0.314,76,126,467.533,5.728,6,0.358,0.63,0.992,0.24360050716194914,0.43106195600027414,0.6428963059420191,0.6124237543691317,0.4824956308683436
EOS-2-25580,COc1cc(-c2nnc3cncc(OCc4cncc(O)c4)n23)ccc1-c1cncs1,CWAICFIWINCCHW-UHFFFAOYSA-N,2,1,0.483,97,103,432.465,3.603,5,0.434,0.61,1.0,0.44964361592762664,0.2920293331505723,0.5286392296621205,0.3678723185525324,0.40954612432321297
EOS-2-25581,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnn4C)n23)ccc1F,HENSLTRLRYOUAA-UHFFFAOYSA-N,2,1,0.478,26,125,432.463,3.169,5,0.393,0.69,1.0,0.4610376259337948,0.4575166198341443,0.3376739085737784,0.2768316085258036,0.3832649407168803
EOS-2-25582,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4ccc(F)cc4)n(C)n3)n12,FSPLVJDGGDHEMN-UHFFFAOYSA-N,2,1,0.529,95,835,432.463,2.994,5,0.41,0.75,1.0,0.37033959289973273,0.39885888561441984,0.20389281063669384,0.20325029127544378,0.29408539510657256
EOS-2-25583,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(C)n(C)n4)n23)c(F)c1,IOOGOZXULCZJOB-UHFFFAOYSA-N,2,1,0.432,26,448,432.463,3.435,5,0.409,0.65,1.0,0.3497875402645466,0.4358423000479748,0.3268024809814269,0.23537625933794806,0.3369521451579741
EOS-2-25584,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)nn1C,FPOKZHCQWZLZOP-UHFFFAOYSA-N,2,1,0.5,95,864,432.463,3.169,5,0.393,0.66,1.0,0.31580254951682546,0.17841477623192378,0.25373517922006716,0.24982009457885,0.2494431498869166
EOS-2-25585,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6cccc6)cc5)n34)cn2)c1,SQYVPYCFHKJWFH-UHFFFAOYSA-N,2,1,0.362,69,484,432.462,5.45,6,0.372,0.85,1.0,0.02571790829963676,0.16182920978685492,0.8843208142005345,0.902131450894387,0.4934998457953533
EOS-2-25586,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)c1,MNQRRUNDUSHVNR-UHFFFAOYSA-N,2,1,0.355,93,68,432.462,5.45,6,0.372,0.78,1.0,0.038456925502021795,0.26586594476046876,0.8779555890617504,0.906749023370571,0.522256870673703
EOS-2-25587,Fc1cc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)ccc1-c1ccccc1,NIFGMNMIJLYCID-UHFFFAOYSA-N,2,1,0.35,93,68,432.462,5.45,6,0.372,0.77,1.0,0.015857377835652116,0.23497361387156465,0.8643855801521486,0.8943184154615859,0.5023837468302378
EOS-2-25588,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,JGBJRSGAVCMIQY-UHFFFAOYSA-N,2,1,0.36,93,68,432.462,5.45,6,0.372,0.82,1.0,0.044359536700705915,0.2866664382153382,0.8687375779590158,0.8997669796449866,0.5248826331300116
EOS-2-25589,Fc1cc(-c2ccccc2)cc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1,OWBNSOUXVSHPSE-UHFFFAOYSA-N,2,1,0.346,93,68,432.462,5.45,6,0.372,0.69,1.0,0.01586594476046878,0.17421698307175656,0.8583972997052978,0.8915769995202522,0.4850143067644438
EOS-2-25590,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cc1,NDQWJUYHIWNIIK-UHFFFAOYSA-N,2,1,0.392,93,68,432.462,5.45,6,0.372,0.8,1.0,0.05350044548009047,0.3122215749434583,0.8843293811253512,0.9067575902953876,0.5392022479610719
EOS-2-25591,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)ccc1-c1ccoc1,WPXMNYFEGZLQEY-UHFFFAOYSA-N,2,1,0.386,21,107,432.458,6.524,6,0.318,0.8,1.0,0.4125573983962717,0.42658145432115685,0.9515112055376602,0.9625711054759784,0.6883052909327668
EOS-2-25592,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cc2)c1,MIRQBSXLCIENFY-UHFFFAOYSA-N,2,1,0.417,21,695,432.458,6.524,6,0.318,0.82,1.0,0.3451956685628127,0.43585086697279146,0.9490182304160099,0.960155232677678,0.672554999657323
EOS-2-25593,CC(C)Nc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)cc5)c4)n23)c1,CHOKPIQDUXFVEH-UHFFFAOYSA-N,2,1,0.694,79,650,467.548,6.039,5,0.301,0.81,1.0,0.8434480159002125,0.5340877938455212,0.884337948050168,0.8091888835583579,0.7677656603385649
EOS-2-25594,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)c1,UDKMWGQKSBORON-UHFFFAOYSA-N,2,1,0.299,94,615,432.451,3.106,6,0.418,0.67,1.0,0.08218250976629429,0.04961106161332328,0.2937512850387225,0.29772633815365634,0.1808177986429991
EOS-2-25595,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,SLLYTVUGKXAHFW-UHFFFAOYSA-N,2,1,0.352,25,791,432.451,3.106,6,0.418,0.76,1.0,0.09639503803714619,0.04610718936330615,0.24637619080254952,0.28867966554725516,0.16938952093756426
EOS-2-25596,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)nn1,HVHBRRKCAOMTBU-UHFFFAOYSA-N,2,1,0.319,38,865,432.451,3.106,6,0.418,0.68,1.0,0.03170618874648756,0.03267425125077102,0.1834435610993078,0.1891919676512919,0.10925399218696458
EOS-2-25597,Cn1ccnc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1,AIXSDVGSERHYFA-UHFFFAOYSA-N,2,1,0.329,42,608,432.451,3.106,6,0.418,0.7,1.0,0.10629840312521417,0.05348331163045713,0.16420224796107188,0.15665478719758755,0.12015968747858269
EOS-2-25598,N=c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)cc2)n[nH]1,KPNBZSHLIZUWGW-UHFFFAOYSA-N,2,1,0.289,9,537,432.451,3.113,6,0.391,0.58,1.0,0.06983757110547598,0.08646597217462819,0.49372901103419914,0.46887636214104583,0.2797272291138373
EOS-2-25599,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)ccn1,DSXLHVJFXOGHBM-UHFFFAOYSA-N,2,1,0.289,70,392,432.451,3.404,6,0.449,0.61,0.999,0.14991261736686998,0.13162223288328423,0.30827222260297443,0.27684017545062023,0.2166618120759372
EOS-2-25600,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,GECQVEQKYPWOQM-UHFFFAOYSA-N,2,1,0.357,25,594,432.451,3.106,6,0.418,0.71,1.0,0.09163182783907889,0.07615139469536016,0.1364454115550682,0.23841751764786512,0.1356615379343431
EOS-2-25601,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cc5)n34)cn2)n1,ZMQWLSPQSSGDJU-UHFFFAOYSA-N,2,1,0.299,42,727,432.451,3.106,6,0.418,0.71,1.0,0.08219107669111096,0.07260468782125969,0.2176427249674457,0.27091186347748614,0.16083758823932562
EOS-2-25602,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)n1,VHEJTRWOIITSKX-UHFFFAOYSA-N,2,1,0.368,25,594,432.451,3.106,6,0.418,0.74,1.0,0.12485436227811665,0.09595812487149613,0.14541498183811938,0.2264495236789802,0.1481692481666781
EOS-2-25603,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nc1,XAOPJMANUILJIL-UHFFFAOYSA-N,2,1,0.289,98,63,432.451,3.106,6,0.418,0.72,1.0,0.1412600233020355,0.06883524090192585,0.24281235007881571,0.2621307655404016,0.17875959495579466
EOS-2-25604,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)nn1,HNJGHBYYVNSPGU-UHFFFAOYSA-N,2,1,0.278,38,7,432.451,3.404,6,0.449,0.63,1.0,0.10874854362278116,0.11497669796449866,0.2901960112398054,0.26507778767733536,0.19474976012610515
EOS-2-25605,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1,VDGWTCVRLCVPGY-UHFFFAOYSA-N,2,1,0.319,25,508,432.451,3.106,6,0.418,0.78,1.0,0.11417140703173188,0.07615996162017682,0.3119817010485916,0.35161229525049686,0.21348134123774928
EOS-2-25606,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,AHJUNYICTMIKBB-UHFFFAOYSA-N,2,1,0.319,9,642,432.451,3.106,6,0.418,0.77,1.0,0.1385700089096018,0.05728702624905764,0.33040915632924406,0.34180316633541225,0.2170173394558289
EOS-2-25607,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2)nn1,RYCVSRPRWADRIE-UHFFFAOYSA-N,2,1,0.275,9,7,432.451,3.404,6,0.449,0.64,1.0,0.09640360496196286,0.125,0.28667500514015487,0.2681790144609691,0.1940644061407717
EOS-2-25608,Cn1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cnn2)n1,GUDVVPNATDMBTN-UHFFFAOYSA-N,2,1,0.291,98,63,432.451,3.106,6,0.418,0.63,1.0,0.08433280789527792,0.04611575628812282,0.2608028921938181,0.2798043314371873,0.16776394695360153
EOS-2-25609,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5n[nH]c(-c6cnccn6)n5)n34)cc2)cn1,DEYKPIOXDILDSS-UHFFFAOYSA-N,2,1,0.299,42,983,432.451,3.404,6,0.449,0.65,1.0,0.08434137482009457,0.1351946405318347,0.24638475772736618,0.2588324994859845,0.18118831814132
EOS-2-25610,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,QUOJGBZIEUQSQD-UHFFFAOYSA-N,2,1,0.276,8,934,432.451,3.106,6,0.418,0.77,1.0,0.07371838804742649,0.02482694811870331,0.127398738948667,0.18105338907545748,0.10174936604756357
EOS-2-25611,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cc2)n1,KDRHUNLXGRKPSS-UHFFFAOYSA-N,2,1,0.316,25,508,432.451,3.106,6,0.418,0.69,1.0,0.10129531903228017,0.04961962853813995,0.2975721335069563,0.3257487492289768,0.1935589575765883
EOS-2-25612,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cn1,SKANTTLCZYMZMT-UHFFFAOYSA-N,2,1,0.312,86,977,432.451,3.106,6,0.418,0.7,1.0,0.14992118429168666,0.0534918785552738,0.167372010143239,0.15666335412240423,0.1318621067781509
EOS-2-25613,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)n1,KIGBYDOFHZMSSL-UHFFFAOYSA-N,2,1,0.324,30,541,432.451,3.106,6,0.418,0.72,0.424,0.07183366458775958,0.04962819546295662,0.17390857377835653,0.21523541909396204,0.1276514632307587
EOS-2-25614,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cccnc6)n5)n34)cc2)n1,ZLBKDYMIJVSIKE-UHFFFAOYSA-N,2,1,0.307,38,193,432.451,3.106,6,0.418,0.7,1.0,0.09641217188677952,0.06519429785484203,0.18668185868000822,0.21224556233294498,0.14013347268864368
EOS-2-25615,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nn2)n1,NBAIBNLCGDWTNC-UHFFFAOYSA-N,2,1,0.311,30,541,432.451,3.106,6,0.418,0.64,0.903,0.09390206291549585,0.061082173942841475,0.16421081488588857,0.2001833321910767,0.12984459598382564
EOS-2-25616,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cc2)cn1,CDFHLTIUQVRINE-UHFFFAOYSA-N,2,1,0.296,98,725,432.451,3.106,6,0.418,0.69,1.0,0.05875197039270783,0.029650126790487286,0.4115893358919882,0.3806370365293674,0.2201571174011377
EOS-2-25617,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)nn1,AKCFDQAYXORVKY-UHFFFAOYSA-N,2,1,0.307,9,537,432.451,3.404,6,0.449,0.67,1.0,0.12486292920293332,0.12131622232883284,0.2679905421150024,0.2621393324652183,0.19407725652799673
EOS-2-25618,Cn1nncc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cn1,CNRWTWOBNARSGI-UHFFFAOYSA-N,2,1,0.293,42,106,432.451,3.106,6,0.418,0.72,1.0,0.05350901240490714,0.0572955931738743,0.23213796175724763,0.2709204304023028,0.15346574943458297
EOS-2-25619,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)n1,IXYQOQXASUGWTC-UHFFFAOYSA-N,2,1,0.301,38,608,432.451,3.106,6,0.418,0.7,1.0,0.08909601809334522,0.061090740867658144,0.24639332465218286,0.2234168322938798,0.1549992289767665
EOS-2-25620,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,WNJXHRFQWYPOIK-UHFFFAOYSA-N,2,1,0.33,25,791,432.451,3.106,6,0.418,0.77,1.0,0.09642073881159618,0.04963676238777329,0.29375985196353915,0.3450243300664793,0.19621042080734696
EOS-2-25621,Cc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)c2)nn1,NSBDYANJGAMGBG-UHFFFAOYSA-N,2,1,0.295,9,598,432.451,3.404,6,0.449,0.81,1.0,0.11692995682269892,0.13896408745116853,0.33768247549859504,0.3418117332602289,0.23384706325817284
EOS-2-25622,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2)nn1,DCCGITBXIDVHCI-UHFFFAOYSA-N,2,1,0.257,30,301,432.451,3.106,6,0.418,0.67,0.976,0.020492084161469398,0.007633130011651018,0.23214652868206428,0.2886882324720718,0.13723999383181412
EOS-2-25623,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)n1,OGNMWFPPHVEQLQ-UHFFFAOYSA-N,2,1,0.33,30,945,432.451,3.106,6,0.418,0.75,1.0,0.08910458501816187,0.05730416009869097,0.15781988897265437,0.20325885820026043,0.1268718730724419
EOS-2-25624,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6c[nH]nn6)nc5)n34)cc2)cn1,MWZVGHMMMYYRQJ-UHFFFAOYSA-N,2,1,0.289,42,303,432.451,3.404,6,0.449,0.66,1.0,0.06984613803029265,0.10540744294428073,0.3376910424234117,0.32575731615379344,0.20967548488794463
EOS-2-25625,Cn1cc(-c2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nc2)cn1,VCAAAJRMIXNQHV-UHFFFAOYSA-N,2,1,0.307,94,342,432.451,3.106,6,0.418,0.75,1.0,0.0535175793297238,0.01693681036255226,0.207525186758961,0.22645809060379687,0.12610941676375848
EOS-2-25626,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,PBZBAXVIWUNISG-UHFFFAOYSA-N,2,1,0.319,86,790,432.451,3.106,6,0.418,0.66,1.0,0.07572304845452676,0.049645329312589956,0.2866835720649716,0.2529641559865671,0.16625402645466386
EOS-2-25627,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)n1,XFSSNYOXASURAJ-UHFFFAOYSA-N,2,1,0.362,93,74,432.451,3.106,6,0.418,0.77,0.999,0.12209581248714961,0.10210917688986361,0.13645397847988486,0.22342539921869645,0.14602109176889863
EOS-2-25628,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)cc2)cn1,LIRQDPKGVXWFPD-UHFFFAOYSA-N,2,1,0.301,42,761,432.451,3.106,6,0.418,0.76,1.0,0.08657734219724487,0.0761685285449935,0.37563395243643344,0.3322510451648276,0.21765771708587486
EOS-2-25629,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)cn1,FXPIRTCNHKRKCE-UHFFFAOYSA-N,2,1,0.304,38,154,432.451,3.404,6,0.449,0.58,1.0,0.10630697005003084,0.13520320745665135,0.2937684188883558,0.26214789939003497,0.19935662394626824
EOS-2-25630,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)n1,GRUGNKDBGOVTCM-UHFFFAOYSA-N,2,1,0.298,38,154,432.451,3.404,6,0.449,0.63,1.0,0.11417997395654855,0.12500856692481666,0.28669213898978824,0.265086354602152,0.19774175861832638
EOS-2-25631,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cn1,JTSYCULORZQIFT-UHFFFAOYSA-N,2,1,0.301,94,167,432.451,3.106,6,0.418,0.65,1.0,0.055162428894524024,0.0652028647796587,0.3904033308203687,0.3614556918648482,0.21805607908984992
EOS-2-25632,Cn1nncc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cnn1,XJQKYLKDDISCCN-UHFFFAOYSA-N,2,1,0.295,30,945,432.451,3.106,6,0.418,0.66,0.957,0.048788636830923174,0.04965389623740662,0.23215509560688094,0.2828627235967377,0.1533650880679871
EOS-2-25633,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cn2)c1,FJLNPDQNIVTRDH-UHFFFAOYSA-N,2,1,0.273,70,392,432.451,3.404,6,0.449,0.65,1.0,0.12487149612774999,0.12846960455075046,0.30475978342814064,0.2828712905215544,0.21024304365704888
EOS-2-25634,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,UMPPVZVQJPFZSR-UHFFFAOYSA-N,2,1,0.315,38,167,432.451,3.106,6,0.418,0.68,1.0,0.05352614625454047,0.06884380782674251,0.22137790418751285,0.24982866150366664,0.14839412994311563
EOS-2-25635,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)nc5)n34)cn2)cn1,SWQDZJVSQMRUKD-UHFFFAOYSA-N,2,1,0.27,70,392,432.451,3.404,6,0.449,0.65,0.996,0.11418854088136522,0.12847817147556714,0.3157682818175588,0.27092899732711945,0.20734099787540267
EOS-2-25636,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)ccn2)nn1,ISIKGJGTXUVROZ-UHFFFAOYSA-N,2,1,0.296,42,608,432.451,3.106,6,0.418,0.66,1.0,0.042903159481872385,0.03268281817558769,0.24282091700363237,0.23538482626276472,0.1384479302309643
EOS-2-25637,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)n1,ICZWQKVZMNQBAP-UHFFFAOYSA-N,2,1,0.288,30,541,432.451,3.106,6,0.418,0.71,0.227,0.05198409978754027,0.016945377287368925,0.17041326845315605,0.22063258172846276,0.114993831814132
EOS-2-25638,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc1,YNXJUDWLCLOWGD-UHFFFAOYSA-N,2,1,0.324,38,983,432.451,3.106,6,0.418,0.69,1.0,0.11419710780618189,0.07617709546981016,0.2537437461448838,0.2621564663148516,0.17656860393393187
EOS-2-25639,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nc2)cn1,RGNFGILEZLSVJX-UHFFFAOYSA-N,2,1,0.258,86,421,432.451,3.106,6,0.418,0.69,1.0,0.03422486464258789,0.014066890548968543,0.3268110479062436,0.28869679939688847,0.16594990062367213
EOS-2-25640,Cn1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cn1,UQIZSUHWRFUPGH-UHFFFAOYSA-N,2,1,0.299,38,186,432.451,3.106,6,0.418,0.7,1.0,0.060610993077924745,0.04612432321293948,0.22470187101637995,0.25297272291138373,0.14610247755465697
EOS-2-25641,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccn5)n4)n23)cn1,WDRJJZDWSJAJLY-UHFFFAOYSA-N,2,1,0.291,86,557,432.451,3.106,6,0.418,0.7,0.868,0.11420567473099856,0.04966246316222329,0.1247601261051333,0.12398053594681653,0.10315219998629292
EOS-2-25642,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cncnc5-n5cccn5)n34)cc2)cn1,DVTXULNARCGNSU-UHFFFAOYSA-N,2,1,0.277,42,167,432.451,3.199,6,0.417,0.62,1.0,0.004394832430950586,0.02483551504351998,0.2356075663079981,0.22646665752861353,0.12282614282777055
EOS-2-25643,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)n1,AERDXADMEZGEHI-UHFFFAOYSA-N,2,1,0.312,9,508,432.451,3.106,6,0.418,0.72,1.0,0.1111901171955315,0.061099307792474813,0.3119902679734083,0.3322596120896443,0.20413482626276472
EOS-2-25644,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)cn1,XNGAQCRICCLGRA-UHFFFAOYSA-N,2,1,0.293,42,725,432.451,3.106,6,0.418,0.79,1.0,0.08658590912206154,0.03571550956068809,0.30107600575697346,0.2856812418614214,0.1772646665752861
EOS-2-25645,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)nn1,XUKPEQPHDXRLQH-UHFFFAOYSA-N,2,1,0.287,38,154,432.451,3.404,6,0.449,0.68,1.0,0.11119868412034815,0.1389726543759852,0.2791960797752039,0.2650949215269687,0.19861558494962647
EOS-2-25646,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)cn1,RCTWLOBXMQEMEJ-UHFFFAOYSA-N,2,1,0.303,38,154,432.451,3.404,6,0.449,0.68,1.0,0.11421424165581523,0.11194400657939826,0.3451699677883627,0.2945480090466726,0.2164690562675622
EOS-2-25647,Cn1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)n1,KKKCALARRHZVSU-UHFFFAOYSA-N,2,1,0.333,42,167,432.451,3.106,6,0.418,0.7,1.0,0.09164039476389556,0.07261325474607634,0.26799910903981905,0.29154958536083886,0.18095058597765745
EOS-2-25648,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)ncn1,KQPRCOQHOQFLPZ-UHFFFAOYSA-N,2,1,0.302,10,301,432.451,3.199,6,0.417,0.67,0.999,0.0019018573093002537,0.00402645466383387,0.1866904256048249,0.22961071893633062,0.10555736412857242
EOS-2-25649,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nn5)n34)cc2)n1,QZUNVHVVDZUOPP-UHFFFAOYSA-N,2,1,0.298,38,270,432.451,3.404,6,0.449,0.67,1.0,0.1169385237475156,0.1179494208758824,0.22841991638681378,0.2384260845726818,0.1754334863957234
EOS-2-25650,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cc2)cn1,UVAMGFMSWDPTAI-UHFFFAOYSA-N,2,1,0.293,98,725,432.451,3.106,6,0.418,0.67,1.0,0.06781577684874238,0.03863683092317182,0.40827393598793776,0.37762147899390036,0.2230870056884381
EOS-2-25651,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2)cn1,PEWWOICCNFZDSC-UHFFFAOYSA-N,2,1,0.29,38,725,432.451,3.404,6,0.449,0.59,1.0,0.09164896168871221,0.12501713384963334,0.29758070043177304,0.26818758138578574,0.1956085943389761
EOS-2-25652,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)cn4)n23)c1,NWJQULOZELOWMF-UHFFFAOYSA-N,2,1,0.315,25,791,432.451,3.106,6,0.418,0.67,1.0,0.05353471317935714,0.04613289013775615,0.14542354876293606,0.2206411486532794,0.11643307518333218
EOS-2-25653,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)n1,KUQPDZLLYCZFKP-UHFFFAOYSA-N,2,1,0.313,42,945,432.451,3.106,6,0.418,0.72,1.0,0.07777911041052704,0.05350044548009047,0.189988691659242,0.2442258926735659,0.14137353505585634
EOS-2-25654,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)nn1,DCXUYSBHENQYLF-UHFFFAOYSA-N,2,1,0.286,38,63,432.451,3.106,6,0.418,0.73,1.0,0.030395449249537385,0.020269344116236036,0.27155438283873623,0.29455657597148927,0.15419393804399972
EOS-2-25655,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)n1,GAXAPJDWZSFJNT-UHFFFAOYSA-N,2,1,0.293,30,301,432.451,3.106,6,0.418,0.76,1.0,0.04144678226303886,0.029658693715303955,0.1484990747721198,0.2090415324515112,0.10716152080049346
EOS-2-25656,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1,JOXXMMAFKSNZOW-UHFFFAOYSA-N,2,1,0.306,42,369,432.451,3.106,6,0.418,0.68,1.0,0.1142228085806319,0.06885237475155918,0.2571019806730176,0.2588410664108012,0.17475455760400246
EOS-2-25657,Cc1nnc(COc2cncc3nnc(-c4ccc(-c5cnn(CCO)c5)nc4)n23)n1C,VSKBWHUOHGSKQZ-UHFFFAOYSA-N,2,1,0.378,92,986,432.448,1.058,5,0.4,0.67,1.0,0.19978925364950997,0.13521177438146803,0.012653347954218354,0.007204783770817627,0.08871478993900349
EOS-2-25658,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)nc5)n34)cc2)o1,NUADWNUMNASKNQ-UHFFFAOYSA-N,2,1,0.309,42,106,432.447,4.274,6,0.406,0.75,1.0,0.22163491193201287,0.16183777671167157,0.43773559043245835,0.3835926255911178,0.30120022616681513
EOS-2-25659,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)no1,BEAGWUIKVGNDHS-UHFFFAOYSA-N,2,1,0.345,38,479,432.447,4.274,6,0.406,0.77,1.0,0.16337982317867178,0.1462374066205195,0.31577684874237544,0.31659070659995886,0.23549619628538138
EOS-2-25660,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)n1,UVEREGWDOKMYDW-UHFFFAOYSA-N,2,1,0.299,38,532,432.447,4.274,6,0.406,0.7,1.0,0.16338839010348846,0.12502570077445,0.437744157357275,0.3932304160098691,0.27984716606127064
EOS-2-25661,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cocn6)c5)n34)cn2)n1,WGNPPVZPIXEZAY-UHFFFAOYSA-N,2,1,0.312,32,20,432.447,4.274,6,0.406,0.56,1.0,0.16339695702830512,0.08309917072167775,0.42662428894524024,0.40537831539990404,0.2696246830237818
EOS-2-25662,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cc1,DDQOGEOFQXCADW-UHFFFAOYSA-N,2,1,0.452,12,285,432.447,4.431,6,0.429,0.73,1.0,0.5792354876293606,0.4177660886848057,0.5387310670961551,0.5131416626687684,0.5122185765197724
EOS-2-25663,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)o1,RZQUMLLSMOWGJJ-UHFFFAOYSA-N,2,1,0.319,30,945,432.447,4.274,6,0.406,0.79,1.0,0.1385785758344185,0.13522034130628469,0.3010845726817901,0.31659927352477557,0.2228706908368172
EOS-2-25664,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)cc4)n23)cc1C#N,LUIVTRORFZYKTC-UHFFFAOYSA-N,2,1,0.5,89,230,432.447,3.514,5,0.417,0.69,1.0,0.7090072647522445,0.4795678843122473,0.8658933589198822,0.8048968542252073,0.7148413405523953
EOS-2-25665,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)no1,PWXLIWBHJRMVFG-UHFFFAOYSA-N,2,1,0.295,30,301,432.447,4.274,6,0.406,0.83,1.0,0.1277414159413337,0.1213247892536495,0.2757264752244534,0.3104824892056747,0.20881879240627782
EOS-2-25666,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)o5)n34)cc2)n1,ZCBRDADDVDTIEW-UHFFFAOYSA-N,2,1,0.301,38,641,432.447,4.274,6,0.406,0.82,1.0,0.12774998286615036,0.13522890823110137,0.31952059488725926,0.32266465629497637,0.22629103556987185
EOS-2-25667,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)ccn2)o1,SGFSQUNSHVKQOI-UHFFFAOYSA-N,2,1,0.311,38,787,432.447,4.274,6,0.406,0.73,1.0,0.14673428825988624,0.1088170790213145,0.3304177232540607,0.3355835789185114,0.23038816736344322
EOS-2-25668,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2)o1,HWNZUQTUYYNMDG-UHFFFAOYSA-N,2,1,0.287,30,301,432.447,4.274,6,0.406,0.78,1.0,0.10875711054759783,0.08310773764649441,0.3413833870193955,0.377630045918717,0.22771957028305118
EOS-2-25669,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)n1,QNKNHOFSVJLUEP-UHFFFAOYSA-N,2,1,0.324,32,321,432.447,4.274,6,0.406,0.82,1.0,0.1829381125351244,0.13163079980810088,0.2975892673565897,0.3135237475155918,0.23142048180385172
EOS-2-25670,N=c1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)nc2)[nH]1,NCAHWZVWCOTYSP-UHFFFAOYSA-N,2,1,0.283,69,174,432.447,3.983,6,0.434,0.62,1.0,0.08659447604687821,0.06886094167637585,0.5879223493934618,0.5528065245699404,0.3240460729216641
EOS-2-25671,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cc2)n1,XQRBYPQFSXRHFI-UHFFFAOYSA-N,2,1,0.333,42,57,432.447,4.274,6,0.406,0.7,1.0,0.20527208553217738,0.10882564594613117,0.48020183674868067,0.4280463984648071,0.30558649167294905
EOS-2-25672,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)o1,DNGBIJCMMPMPFW-UHFFFAOYSA-N,2,1,0.297,9,98,432.447,4.274,6,0.406,0.78,1.0,0.20241073264341033,0.11795798780069906,0.5522154067575903,0.49914330751833325,0.3429318586800082
EOS-2-25673,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)cc1,SPDWCCMWSVKNQI-UHFFFAOYSA-N,2,1,0.386,12,897,432.447,4.431,6,0.429,0.72,1.0,0.6539562058803372,0.5156946062641354,0.5185388253032691,0.5030069906106504,0.547799157014598
EOS-2-25674,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)no5)n34)cc2)n1,PBOZZUCXJFVPCC-UHFFFAOYSA-N,2,1,0.366,38,203,432.447,4.274,6,0.406,0.8,1.0,0.16881982043725585,0.13523747515591802,0.2715629497635529,0.2915581522856555,0.21679459941059556
EOS-2-25675,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cc2)cn1,WPHQIDZYLYTJCN-UHFFFAOYSA-N,2,1,0.341,42,57,432.447,4.274,6,0.406,0.71,1.0,0.1940579809471592,0.10883421287094784,0.4872781166472483,0.4247052977863066,0.3037189020629155
EOS-2-25676,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)no5)n34)cc2)nn1,FCAXHXPPJJBKTI-UHFFFAOYSA-N,2,1,0.366,93,203,432.447,4.274,6,0.406,0.8,1.0,0.1688283873620725,0.1542217805496539,0.26422109519566855,0.2887053663217052,0.21899415735727504
EOS-2-25677,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)cc2)nn1,ISPIEIFIQQRIFK-UHFFFAOYSA-N,2,1,0.324,9,98,432.447,4.274,6,0.406,0.76,1.0,0.1467428551847029,0.10541600986909738,0.4802104036734974,0.4656723322596121,0.2995104002467274
EOS-2-25678,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(-c2ccccc2)n1,QZCYPCFDZWDQEQ-UHFFFAOYSA-N,2,1,0.324,69,220,432.447,4.274,6,0.406,0.69,1.0,0.1769755328627236,0.12133335617846618,0.32681961483106026,0.34833972997052975,0.24336705846069495
EOS-2-25679,Cc1nnc(-c2ccccc2-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)o1,BGXWQPOKVOLYRS-UHFFFAOYSA-N,2,1,0.363,30,945,432.447,4.274,6,0.406,0.76,1.0,0.11944006579398259,0.13163936673291754,0.33042629017887737,0.345032896991296,0.23163465492426838
EOS-2-25680,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)c(-c2ccccc2)n1,IKITUXGLXPOXHG-UHFFFAOYSA-N,2,1,0.318,32,321,432.447,4.274,6,0.406,0.66,0.872,0.1606641080117881,0.11195257350421493,0.2571105475978343,0.2709375642519361,0.20016619834144334
EOS-2-25681,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)nc2)nn1,RKKYFSAIGORZIX-UHFFFAOYSA-N,2,1,0.301,70,687,432.447,4.274,6,0.406,0.68,1.0,0.07372695497224316,0.04614145706257282,0.3756425193612501,0.3578575834418477,0.21334212870947844
EOS-2-25682,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)c2)o1,JPDQXZVXTGTSOM-UHFFFAOYSA-N,2,1,0.324,42,90,432.447,4.274,6,0.406,0.77,1.0,0.14675142210951958,0.1579141251456377,0.4558203687204441,0.45323315742581044,0.30342976835035296
EOS-2-25683,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)n1,HESHZEMGZVQWGY-UHFFFAOYSA-N,2,1,0.31,9,894,432.447,4.274,6,0.406,0.67,1.0,0.20815057227057776,0.14624597354533617,0.4835001028030978,0.4469878692344596,0.32122112946336784
EOS-2-25684,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)cn5)n34)cc2)o1,CVVNQWWZHXTYGV-UHFFFAOYSA-N,2,1,0.297,42,983,432.447,4.274,6,0.406,0.76,1.0,0.17422554999657322,0.15423034747447056,0.4522993626207936,0.4053868823247207,0.29653553560413953
EOS-2-25685,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)nc2)n1,BLGZSWXQDNKEEF-UHFFFAOYSA-N,2,1,0.307,42,818,432.447,4.274,6,0.406,0.7,1.0,0.11423137550544857,0.08647453909944486,0.46623774929751216,0.4310533890754575,0.2744992632444658
EOS-2-25686,Cc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,DSWYMSWJALPRPB-UHFFFAOYSA-N,2,1,0.325,9,50,432.447,4.274,6,0.406,0.69,1.0,0.18860941676375848,0.12503426769926668,0.535201494071688,0.4869354396545816,0.3339451545473237
EOS-2-25687,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)o1,DHGXKMGQFBYDHE-UHFFFAOYSA-N,2,1,0.322,9,57,432.447,4.274,6,0.406,0.81,1.0,0.15532691385100406,0.1579226920704544,0.4082825029127544,0.3806456034541841,0.2755444280720992
EOS-2-25688,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cc2)o1,ODUIBXRDGWVVNS-UHFFFAOYSA-N,2,1,0.303,9,598,432.447,4.274,6,0.406,0.73,1.0,0.14992975121650332,0.12504283462408333,0.47318552532382974,0.4562144472620108,0.30109313960660683
EOS-2-25689,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)cc1,XVXCKTVSYZXQRH-UHFFFAOYSA-N,2,1,0.296,30,298,432.447,3.807,6,0.451,0.74,1.0,0.02572647522445343,0.05731272702350764,0.445017476526626,0.48092145843328077,0.25224453430196697
EOS-2-25690,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cccnc6)n5)n34)cc2)o1,NUKRRGFMRGHSBZ-UHFFFAOYSA-N,2,1,0.296,42,818,432.447,4.274,6,0.406,0.72,1.0,0.19691933383592625,0.14266499897196902,0.38306147625248443,0.34182030018504556,0.2661165273113563
EOS-2-25691,Cc1ncc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)c(-c2ccccc2)n1,NMJVQPBTRMZFCH-UHFFFAOYSA-N,2,1,0.324,30,220,432.447,4.274,6,0.406,0.67,0.763,0.13073983962716743,0.10884277979576451,0.16111815502707147,0.2206497155780961,0.15533762250702488
EOS-2-25692,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)cc2)cn1,KNGCUVMXIRVZRI-UHFFFAOYSA-N,2,1,0.329,38,818,432.447,4.274,6,0.406,0.66,1.0,0.1634055239531218,0.11196114042903159,0.48728668357206495,0.42805496538962373,0.2976770783359605
EOS-2-25693,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cc5)n34)cc2)o1,NGJMDCHXFHXCMP-UHFFFAOYSA-N,2,1,0.329,69,958,432.447,3.983,6,0.434,0.67,1.0,0.16067267493660475,0.11498526488931533,0.5911349461997122,0.5593002535809746,0.3565232849016517
EOS-2-25694,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)o1,BJCKBHKLCNEYPN-UHFFFAOYSA-N,2,1,0.306,9,98,432.447,4.274,6,0.406,0.77,1.0,0.14417277773970255,0.1501524912617367,0.48729525049688166,0.462605373175245,0.31105647316839147
EOS-2-25695,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)c2)o1,IKPAEIRBWRQKIG-UHFFFAOYSA-N,2,1,0.357,30,553,432.447,4.274,6,0.406,0.83,1.0,0.1579997943938044,0.1352460420807347,0.27920464670002054,0.29773490507847306,0.21754634706325815
EOS-2-25696,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)o1,FMNWYQCAANTVRU-UHFFFAOYSA-N,2,1,0.284,30,301,432.447,4.274,6,0.406,0.8,1.0,0.11120725104516482,0.0959666917963128,0.2937769858131725,0.322673223219793,0.2059060379686108
EOS-2-25697,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)o2)nn1,LIYPPMYJICVUSO-UHFFFAOYSA-N,2,1,0.341,30,371,432.447,4.274,6,0.406,0.66,1.0,0.09863100541429648,0.07963813309574395,0.2142587896648619,0.25884963333561783,0.16284439037763004
EOS-2-25698,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)nn1,CKPJMXRJSMBTLN-UHFFFAOYSA-N,2,1,0.3,38,57,432.447,4.274,6,0.406,0.75,1.0,0.16341409087793846,0.10885134672058118,0.4662463162223288,0.4280635323144404,0.2916438215338222
EOS-2-25699,Cc1noc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)n1,CZCFUEOKIUTYAO-UHFFFAOYSA-N,2,1,0.352,93,651,432.447,4.274,6,0.406,0.81,1.0,0.18294667945994106,0.14625454047015282,0.34517853471317933,0.40243129326297034,0.2692027619765609
EOS-2-25700,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cn2)o1,PFRDFWCVYDJRSF-UHFFFAOYSA-N,2,1,0.315,30,945,432.447,4.274,6,0.406,0.79,0.999,0.12210437941196628,0.11796655472551573,0.2937855527379892,0.3166078404495922,0.21261608183126585
EOS-2-25701,c1ccc(Oc2cncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)cc1,UQGSXNXUYBMBPK-UHFFFAOYSA-N,2,1,0.333,9,834,432.447,4.431,6,0.429,0.71,1.0,0.25201322733191694,0.16184634363648825,0.5879309163182784,0.569246453293126,0.39275923514495237
EOS-2-25702,Cc1ncncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5conn5)cc4)n23)cc1,CJINYSMRUILSJE-UHFFFAOYSA-N,2,1,0.289,9,894,432.447,4.274,6,0.406,0.73,1.0,0.10631553697484751,0.09259989034336234,0.5784044959221438,0.5433486395723391,0.3301671407031732
EOS-2-25703,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(-c2ccccn2)n1,RWJRBINCSHCCLK-UHFFFAOYSA-N,2,1,0.277,9,152,432.447,4.274,6,0.406,0.7,1.0,0.13615413611130148,0.12134192310328284,0.33769960934822835,0.3355921458433281,0.23269695360153517
EOS-2-25704,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnco6)nc5)n34)cc2)cn1,CFHJSJWVKFWTMF-UHFFFAOYSA-N,2,1,0.325,42,106,432.447,4.274,6,0.406,0.8,1.0,0.2492803783153999,0.12135049002809951,0.48350866972791445,0.4372986772668083,0.32285955383455556
EOS-2-25705,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cc2)o1,RBIJQAZLHORPFK-UHFFFAOYSA-N,2,1,0.303,38,170,432.447,4.274,6,0.406,0.66,1.0,0.17698409978754026,0.13525460900555136,0.4662548831471455,0.4120947844561716,0.29764709409910217
EOS-2-25706,Cc1noc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nc2)n1,PUCSBHBQABCWLO-UHFFFAOYSA-N,2,1,0.318,32,371,432.447,4.274,6,0.406,0.7,0.999,0.13616270303611816,0.114993831814132,0.23561613323281475,0.26510348845178533,0.18796903913371255
EOS-2-25707,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nc2)no1,FHHUVUZGMOXLDD-UHFFFAOYSA-N,2,1,0.356,32,371,432.447,4.274,6,0.406,0.72,1.0,0.1307484065519841,0.12135905695291618,0.2213864711123295,0.25616818586800083,0.18241553012130768
EOS-2-25708,c1cnnc(COc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)c1,SROGMLBMKHGIPK-UHFFFAOYSA-N,2,1,0.5,77,323,432.447,3.771,6,0.405,0.6,1.0,0.45431258995271057,0.562024535672675,0.4266328558700569,0.44034850250154206,0.47082962099924613
EOS-2-25709,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)o1,UQNLFRXLINWDKV-UHFFFAOYSA-N,2,1,0.301,42,170,432.447,4.274,6,0.406,0.72,1.0,0.17147556713042286,0.1462631073949695,0.5352100609965047,0.46888492906586254,0.33045841614693994
EOS-2-25710,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)o1,SAXAMTQCWHGNOY-UHFFFAOYSA-N,2,1,0.329,38,983,432.447,4.274,6,0.406,0.68,1.0,0.15262833253375369,0.12505140154890002,0.47634672058118016,0.41517031046535535,0.2922991912822973
EOS-2-25711,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)nn1,CEQBIELSAIVUIS-UHFFFAOYSA-N,2,1,0.324,9,894,432.447,4.274,6,0.406,0.69,1.0,0.18571379617572475,0.16566719210472208,0.47635528750599687,0.44354396545815916,0.31782006031115073
EOS-2-25712,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cc2)no1,FSSOAEMYXWIFJH-UHFFFAOYSA-N,2,1,0.324,38,983,432.447,4.274,6,0.406,0.7,1.0,0.09642930573641285,0.10542457679391405,0.45916146939894453,0.415178877390172,0.2690485573298609
EOS-2-25713,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,GDIBTRMUCVHZCN-UHFFFAOYSA-N,2,1,0.298,38,787,432.447,4.274,6,0.406,0.71,1.0,0.1742341169213899,0.13898122130080187,0.4191282297306559,0.39039476389555205,0.2806845829620999
EOS-2-25714,COc1nc(-c2nnc3cncc(OCCc4cc(C)oc4C)n23)ccc1-c1ncco1,IVSMIMJSFZJRBC-UHFFFAOYSA-N,2,1,0.435,49,501,432.44,3.681,5,0.38,0.55,0.999,0.34520423548762935,0.10543314371873072,0.13646254540470154,0.055145295044890685,0.16056130491398807
EOS-2-25715,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c2)n1,FTBHMCRNNDAZAR-UHFFFAOYSA-N,2,1,0.568,43,138,432.434,4.708,5,0.389,0.8,1.0,0.7541206908368172,0.5961808649167295,0.9250993763278733,0.8749485984511,0.78758738263313
EOS-2-25716,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C(F)F)c5)cc4)n23)cc1,OCKCEUDSYLRRNH-UHFFFAOYSA-N,2,1,0.577,1,138,432.434,4.937,5,0.38,0.76,1.0,0.6757675964635734,0.5709255705571928,0.9234031252141731,0.8609074086765814,0.7577509252278802
EOS-2-25717,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cc2)n1,QZXOALKFQGXUTQ-UHFFFAOYSA-N,2,1,0.584,43,138,432.434,4.708,5,0.389,0.81,1.0,0.8083493249263245,0.6008155712425468,0.930213830443424,0.8791463916112672,0.8046312795558905
EOS-2-25718,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)cc1,WIVLEMVCXAHBMO-UHFFFAOYSA-N,2,1,0.585,91,70,432.434,4.092,5,0.404,0.73,1.0,0.9235401960112398,0.8343328078952779,0.8687461448838325,0.8397471043794119,0.8665915632924406
EOS-2-25719,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)c1,RYNJCMCWCTVLPK-UHFFFAOYSA-N,2,1,0.583,91,876,432.434,4.092,5,0.404,0.74,1.0,0.7718199575080529,0.6536906312110204,0.8066273730381742,0.780275512302104,0.7531033685148378
EOS-2-25720,Cn1cc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)cn1,QUZYQESSPSJNMO-UHFFFAOYSA-N,2,1,0.617,91,33,432.434,4.092,5,0.404,0.74,1.0,0.5415667192104722,0.6679288602563224,0.8443218422315126,0.8337416900829279,0.7218897779453087
EOS-2-25721,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)n1,CAPUXWTURYGFMD-UHFFFAOYSA-N,2,1,0.757,91,781,432.434,4.092,5,0.404,0.78,1.0,0.9140309094647385,0.8776300459187171,0.8615756288122816,0.8177301076005757,0.8677416729490782
EOS-2-25722,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cc2)n1,JIOSMCBVSXUEOJ-UHFFFAOYSA-N,2,1,0.593,91,273,432.434,4.092,5,0.404,0.75,1.0,0.8363289013775616,0.8720358440134329,0.8459152902474127,0.8137036529367419,0.8419959221437873
EOS-2-25723,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)cc2)n1,LDVDEGBNJYCPSP-UHFFFAOYSA-N,2,1,0.633,91,660,432.434,4.092,5,0.404,0.74,1.0,0.852614625454047,0.8634689191967652,0.8459238571722295,0.8112877801384415,0.8433237954903708
EOS-2-25724,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c(F)c1,LCBXWUAYJWDQMC-UHFFFAOYSA-N,2,1,0.654,88,70,432.434,4.092,5,0.404,0.8,1.0,0.8704680967719828,0.7785963950380371,0.8524946885066137,0.8297323692687273,0.8328228873963401
EOS-2-25725,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)cc1,DTAXAKFHCUYJFG-UHFFFAOYSA-N,2,1,0.602,91,803,432.434,4.092,5,0.404,0.75,1.0,0.9248766362826399,0.819400657939826,0.8510126105133301,0.8217394284147762,0.854257333287643
EOS-2-25726,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)cc1,BTTHRCHTJZETJP-UHFFFAOYSA-N,2,1,0.625,91,70,432.434,4.092,5,0.404,0.73,1.0,0.9140394763895552,0.8155883763964088,0.8687547118086492,0.8377681447467618,0.8590376773353436
EOS-2-25727,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1,LBCDGRAUGXKITP-UHFFFAOYSA-N,2,1,0.612,91,70,432.434,4.092,5,0.404,0.73,1.0,0.9287917209238572,0.8116047563566582,0.8728154341717497,0.8356606812418614,0.8622181481735316
EOS-2-25728,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1,MBPZIHGHEKFZTK-UHFFFAOYSA-N,2,1,0.556,1,138,432.434,4.802,5,0.385,0.72,1.0,0.7362415187444314,0.48366287437461447,0.927609485299157,0.8641799739565486,0.7529234630936879
EOS-2-25729,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)cc2)cn1,BAZRXMBNMVMBTE-UHFFFAOYSA-N,2,1,0.625,91,803,432.434,4.092,5,0.404,0.78,1.0,0.8107994654238915,0.8116133232814748,0.8630405729559317,0.8337502570077445,0.8298009046672606
EOS-2-25730,Cc1ccc(-c2nnc3cncc(OCc4cn(C)nc4-c4cc(F)ccc4F)n23)cc1,XHMOYMLAYFOEIP-UHFFFAOYSA-N,2,1,0.554,43,521,432.434,4.357,5,0.413,0.71,1.0,0.5569786169556576,0.6385700089096018,0.8088033719416079,0.7846275101089712,0.6972448769789596
EOS-2-25731,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2F)cn1,YOKAALFGYXQQKE-UHFFFAOYSA-N,2,1,0.714,91,222,432.434,4.092,5,0.404,0.79,1.0,0.8108080323487081,0.8078353094373244,0.8714789939003496,0.8490764855047632,0.8347997052977864
EOS-2-25732,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1,BDGLIPJUQZAXDN-UHFFFAOYSA-N,2,1,0.529,43,178,432.434,4.532,5,0.394,0.73,1.0,0.8915684325954355,0.6924473990816257,0.8755054485641834,0.8337588239325612,0.8233200260434514
EOS-2-25733,Cn1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,RZUOCWFJYDTGRE-UHFFFAOYSA-N,2,1,0.57,91,80,432.434,4.092,5,0.404,0.7,1.0,0.9140480433143718,0.79969673086149,0.8239925296415599,0.8112963470632581,0.83725841272017
EOS-2-25735,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)cn1,LGFHPKCGGGFMMN-UHFFFAOYSA-N,2,1,0.595,91,742,432.434,4.092,5,0.404,0.78,1.0,0.6025203892810637,0.6432818175587691,0.8755140154890001,0.8416832293879789,0.740749862929203
EOS-2-25736,Cc1nn(C)cc1COc1cncc2nnc(-c3ccc(-c4ccc(F)c(F)c4)cc3)n12,VSJMIGVNUXMFOG-UHFFFAOYSA-N,2,1,0.59,43,80,432.434,4.357,5,0.413,0.71,1.0,0.5208775957782195,0.667937427181139,0.8330049345486944,0.8027294222465904,0.7061373449386608
EOS-2-25737,Cn1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(-c2ccccc2)n1,QNAGZZSOWGTKAV-UHFFFAOYSA-N,2,1,0.556,1,138,432.434,4.708,5,0.389,0.79,1.0,0.5569871838804743,0.5203550133644027,0.8584058666301144,0.8177386745253924,0.688371684600096
EOS-2-25738,COc1c(F)cccc1-c1cncc2nnc(-c3c(-c4ccc(F)cc4)nn(C)c3C)n12,ZUDWIQWVFYNRQM-UHFFFAOYSA-N,2,1,0.33,96,46,432.434,4.454,5,0.42,0.72,1.0,0.19979782057432663,0.3988674525392365,0.6333527516962512,0.6387070797066685,0.4676812761291207
EOS-2-25739,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cn1,ILXLDNDDJXDDMD-UHFFFAOYSA-N,2,1,0.517,43,623,432.434,4.532,5,0.394,0.72,1.0,0.4882461791515318,0.4836714412994312,0.860042149270098,0.8237440888218766,0.6639259646357344
EOS-2-25740,Cc1cncn1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1,KDGLFQRKUSAVIU-UHFFFAOYSA-N,2,1,0.549,1,138,432.434,4.802,5,0.385,0.76,1.0,0.6906911794942088,0.4531903228017271,0.9354996230553081,0.8819563429511342,0.7403343670755945
EOS-2-25741,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c2)cn1,NJMVQXVTFSUOIX-UHFFFAOYSA-N,2,1,0.556,43,623,432.434,4.532,5,0.394,0.75,1.0,0.41485333424713866,0.4310705229250908,0.8474487697895964,0.817747241450209,0.6277799671030087
EOS-2-25742,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cn1,ULESPDFEZFHWCU-UHFFFAOYSA-N,2,1,0.729,91,322,432.434,4.671,5,0.374,0.77,1.0,0.7571019806730176,0.7744157357275032,0.8742204098416833,0.8196919333835926,0.806357514906449
EOS-2-25743,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cc2)cn1,ZDNMHDUWFAKRNL-UHFFFAOYSA-N,2,1,0.608,91,322,432.434,4.092,5,0.404,0.77,1.0,0.8083578918511412,0.8307689671715441,0.8792834624083339,0.8506956342951134,0.8422764889315331
EOS-2-25744,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1-c1ccccc1,CJSYYZZYDQBIGA-UHFFFAOYSA-N,2,1,0.54,19,266,432.434,4.092,5,0.404,0.76,1.0,0.556995750805291,0.47501028030978,0.7316153793434309,0.7476183949009664,0.6278099513398671
EOS-2-25745,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1-c1ccccc1,CLYUXZQZPCONHU-UHFFFAOYSA-N,2,1,0.692,19,570,432.434,4.092,5,0.404,0.78,1.0,0.6480278939072031,0.48368000822424784,0.7491947090672332,0.7604430813515181,0.6603364231375505
EOS-2-25746,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1F,KYWXVLPZKDEPTO-UHFFFAOYSA-N,2,1,0.654,88,70,432.434,4.092,5,0.404,0.73,1.0,0.9111010211774382,0.7916780892330889,0.8615841957370982,0.8435593859228291,0.8519806730176136
EOS-2-25747,Cn1cc(-c2cnc(Oc3cncc4nnc(-c5ccn(CC6(F)CC6)n5)n34)cn2)cn1,OJGAMNQCWGYDGW-UHFFFAOYSA-N,2,1,0.306,92,105,432.423,2.473,6,0.402,0.61,1.0,0.2568963744774176,0.21478137207867865,0.023636145569186483,0.06744739908162566,0.14069032280172708
EOS-2-25748,CCn1nc(-c2nnc3cncc(OCc4ncc(C)nn4)n23)cc1-c1ccc(F)cn1,DOVGJNHYOSAHIG-UHFFFAOYSA-N,2,1,0.337,53,105,432.423,2.281,5,0.398,0.51,1.0,0.22164347885682956,0.1956257281886094,0.0267459392776369,0.029795764512370638,0.11845272770886163
EOS-2-25749,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)s5)n34)nc2)cc1,YYZSQGVCDZUDTR-UHFFFAOYSA-N,2,1,0.438,28,667,467.579,6.222,6,0.291,0.73,1.0,0.4353882530326914,0.4130799808100884,0.6220187101637996,0.6328044685079843,0.5258228531286409
EOS-2-25750,COc1cc(-c2cnsc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccsc4)cc3)n12,NELBYAUURBFZPK-UHFFFAOYSA-N,2,1,0.406,41,30,467.579,6.319,6,0.297,0.66,1.0,0.21906483448701256,0.10211774381468028,0.8088119388664246,0.7657802755123021,0.47394369817010484
EOS-2-25751,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)s5)n34)cc2)nc1,OANOKCPSBAIQPI-UHFFFAOYSA-N,2,1,0.56,28,120,467.579,6.222,6,0.291,0.74,1.0,0.5415752861352888,0.5620331025974916,0.6653416489616887,0.6416455349187855,0.6026488931533136
EOS-2-25752,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)cn1,SJKHVPNXIMUGBV-UHFFFAOYSA-N,2,1,0.436,55,468,432.419,2.155,5,0.416,0.69,1.0,0.4148619011719553,0.2710489342745528,0.38672812007401824,0.3387019395517785,0.3528352237680762
EOS-2-25753,COc1cc(-c2nnc3cncc(Oc4cncc(F)c4)n23)ccc1-c1nnc(C)n1C,HIBJERCAOCIDFL-UHFFFAOYSA-N,2,1,0.44,36,375,432.419,3.23,5,0.417,0.78,1.0,0.5363751627715715,0.4621855938592283,0.27157151668836954,0.20905009937632787,0.3697955931738743
EOS-2-25754,COc1cc(F)c(-c2nnc3cncc(OCc4cccc(-c5cnn(C)n5)c4)n23)cn1,WVZLSCXZKUXLKE-UHFFFAOYSA-N,2,1,0.483,16,250,432.419,2.709,5,0.403,0.55,1.0,0.5156346377904187,0.4310790898499075,0.4230861489959564,0.2977434720032897,0.4168858371598931
EOS-2-25755,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(CO)c(F)c3)n12,WJZRXPATQDPEPU-UHFFFAOYSA-N,2,1,0.478,36,677,432.419,2.192,5,0.434,0.62,0.984,0.5290590089781372,0.5481289836200397,0.18999725858405866,0.2062487149612775,0.36835849153587824
EOS-2-25756,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1cnnn1C,HGHVGEOUFGTIMB-UHFFFAOYSA-N,2,1,0.5,16,638,432.419,2.709,5,0.403,0.67,1.0,0.5467240079501062,0.439988691659242,0.4873038174216983,0.3708964430128161,0.4612282400109657
EOS-2-25757,CN=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2F)o1,MBAUXZUPPNDFRG-UHFFFAOYSA-N,2,1,0.568,35,393,432.419,2.46,5,0.438,0.42,0.998,0.6193629634706326,0.35604139538071417,0.3304348571036941,0.2561767527928175,0.39050399218696463
EOS-2-25758,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccn(C)n5)n34)cc2F)cn1,GAJHSRCBTWCGCG-UHFFFAOYSA-N,2,1,0.5,16,716,432.419,2.709,5,0.403,0.61,1.0,0.4566085258035775,0.43108765677472416,0.39041189774518537,0.2588582002604345,0.38424157014598037
EOS-2-25759,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1nncn1C,BQYZXFNOAUULSZ-UHFFFAOYSA-N,2,1,0.489,16,375,432.419,2.709,5,0.403,0.73,1.0,0.6109245425262148,0.45319888972654376,0.4230947159207731,0.3166164073744089,0.4509586388869851
EOS-2-25760,COc1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1nccn1C,STCVETQDUJQOHN-UHFFFAOYSA-N,2,1,0.415,46,551,432.419,2.709,5,0.377,0.59,0.998,0.5820026043451443,0.37522274004523337,0.26800767596463576,0.16994208758823934,0.3487937769858132
EOS-2-25761,Cn1nc(-c2ccc(=O)n(C)n2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,JQXHDQGQOYHWJV-UHFFFAOYSA-N,2,1,0.536,36,32,432.419,2.004,5,0.418,0.67,0.926,0.5544256733602906,0.6432903844835858,0.20390137756151053,0.20625728188609416,0.4019686793228703
EOS-2-25762,COc1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1cnnn1C,IILUACZJXBHWEC-UHFFFAOYSA-N,2,1,0.517,4,638,432.419,2.709,5,0.403,0.66,1.0,0.42656432047152354,0.46640908779384554,0.4377527242820917,0.3257658830786101,0.41412300390651774
EOS-2-25763,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1nc[nH]n1,JNWNIPJTOFHRPK-UHFFFAOYSA-N,2,1,0.521,47,771,432.419,2.741,5,0.417,0.64,1.0,0.797297991912823,0.6630457131108217,0.3830700431773011,0.2856898087862381,0.532275889246796
EOS-2-25764,CNCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cc2)o1,KPBWQALMFSEPQF-UHFFFAOYSA-N,2,1,0.529,4,22,432.419,2.674,5,0.414,0.72,1.0,0.4955537660201494,0.3988760194640532,0.25006853539853335,0.20905866630114453,0.3383892467959701
EOS-2-25765,COc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cncn1C,WRVGPPDYQHAZLV-UHFFFAOYSA-N,2,1,0.436,49,122,432.419,2.708,5,0.377,0.68,1.0,0.4496521828524433,0.37523130697005,0.29020457816462203,0.19196765129189225,0.3267639298197519
EOS-2-25766,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1nc[nH]n1,FSNZABOLTBXQAY-UHFFFAOYSA-N,2,1,0.516,15,604,432.419,2.741,5,0.39,0.57,1.0,0.8108165992735248,0.6536991981358372,0.44502604345144264,0.3226817901446097,0.5580559077513536
EOS-2-25767,COc1ncccc1COc1cncc2nnc(-c3ccc(F)c(-c4cnnn4C)c3)n12,KXKNCCBCBJGJFP-UHFFFAOYSA-N,2,1,0.523,16,79,432.419,2.709,5,0.403,0.74,0.997,0.5263775615105202,0.5069220752518676,0.39409567541635254,0.2856983757110548,0.4282734219724487
EOS-2-25768,COc1ncc(-c2cc(-c3nnc4cncc(-c5cnn(CCO)c5)n34)ccn2)cc1F,KVOTVHDIYGMLHT-UHFFFAOYSA-N,2,1,0.299,50,329,432.419,2.252,5,0.434,0.72,1.0,0.30784387636214106,0.18692173257487493,0.337708176273045,0.2588667671852512,0.27283513809882803
EOS-2-25769,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(CO)c(F)c4)n23)cn1,GUZRHJLLBJADEH-UHFFFAOYSA-N,2,1,0.506,36,250,432.419,2.192,5,0.434,0.64,1.0,0.6877527242820917,0.47957645123706394,0.4627424439723117,0.3994157357275033,0.5073718388047427
EOS-2-25770,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1ncnn1C,BXIIKRBDMKPACL-UHFFFAOYSA-N,2,1,0.506,16,718,432.419,2.709,5,0.377,0.73,1.0,0.6109331094510314,0.4399972585840587,0.41913679665547254,0.28871393324652184,0.43969527448427115
EOS-2-25771,COc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)nn2C)cn1,WNXULQGQXYQVHQ-UHFFFAOYSA-N,2,1,0.517,95,694,432.419,2.708,5,0.403,0.75,1.0,0.43539681995750806,0.24554519909533273,0.3268281817558769,0.2529812898362004,0.3151878726612295
EOS-2-25772,COc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)nc4)n23)n1,NHNPHUATBUKGEH-UHFFFAOYSA-N,2,1,0.415,4,617,432.419,2.709,5,0.403,0.63,1.0,0.5390052086902886,0.5481375505448565,0.3082807895277911,0.19455486258652593,0.3974946028373655
EOS-2-25773,COc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4ncnn4C)nc3)n12,CVOIIPZHNQFYOA-UHFFFAOYSA-N,2,1,0.457,36,45,432.419,2.708,5,0.403,0.73,1.0,0.48583030635323143,0.49783256802138304,0.34518710163799604,0.2621650332396683,0.39775375231306975
EOS-2-25774,COc1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1-c1nncn1C,YRVTUJLCGRMLLC-UHFFFAOYSA-N,2,1,0.477,16,375,432.419,2.709,5,0.403,0.75,1.0,0.6109416763758482,0.46219416078404496,0.4485556164759098,0.33560071276814474,0.4643230416009869
EOS-2-25775,OCCn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)n1,NKOSBLHMOUCYGP-UHFFFAOYSA-N,2,1,0.505,55,250,432.419,2.155,5,0.416,0.75,1.0,0.46341923103282845,0.41308854773490505,0.23562470015763143,0.26217360016448493,0.3435765197724625
EOS-2-25776,COc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)n(C)n4)n23)c1,YYSHKGNXEDUCPV-UHFFFAOYSA-N,2,1,0.443,95,694,432.419,2.708,5,0.377,0.73,0.997,0.3282245905009938,0.3703652936741827,0.37565108628606675,0.2681961483106024,0.3356092796929614
EOS-2-25777,COc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cn(C)cn1,JDCBGIJZNJWVOQ-UHFFFAOYSA-N,2,1,0.432,49,122,432.419,2.709,5,0.377,0.62,1.0,0.4659978754026455,0.4358594338976081,0.2715800836131862,0.17264923583030636,0.3365216571859366
EOS-2-25778,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(CO)cc3)n12,MYINANNRANXOPS-UHFFFAOYSA-N,2,1,0.511,89,731,432.419,2.192,5,0.434,0.67,1.0,0.5625214173120416,0.5109399629908848,0.3047683503529573,0.26218216708930164,0.41010297443629634
EOS-2-25779,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1nncn1C,ZNDBLVLJESQRAV-UHFFFAOYSA-N,2,1,0.5,16,375,432.419,2.709,5,0.377,0.73,1.0,0.6080888904118977,0.44000582550887535,0.43017956274415736,0.3040744294428072,0.44558717702693446
EOS-2-25780,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ncnn1C,NHFPSFSNGCDUNI-UHFFFAOYSA-N,2,1,0.5,16,375,432.419,2.709,5,0.403,0.77,1.0,0.6080974573367144,0.457525186758961,0.41159790281680486,0.30084469878692344,0.44451631142485093
EOS-2-25781,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(CO)c(F)c5)n34)c2)n1,ITYZEQBFSJLFGB-UHFFFAOYSA-N,2,1,0.528,43,258,432.419,2.192,5,0.434,0.75,1.0,0.7454423959975327,0.49298368857514907,0.48021897059831403,0.43436022205469127,0.5382513193064218
EOS-2-25782,N#Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5cc(F)cc(C#N)c5)n34)cc2)cc1,NJKFKWILEXGQIZ-UHFFFAOYSA-N,2,1,0.544,79,528,432.418,5.133,5,0.39,0.79,1.0,0.9300510588719073,0.9172435062709889,0.9742306901514632,0.9748817764375299,0.9491017579329724
EOS-2-25783,Cc1nc(C)c(-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)c(-c2ccccc2)n1,NJSLKTNYNMPDFE-UHFFFAOYSA-N,2,1,0.307,32,321,467.583,5.717,6,0.33,0.6,1.0,0.11694709067233226,0.1179751216503324,0.16738057706805565,0.2090672332259612,0.15284250565417037
EOS-2-25784,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)s2)nn1,FZOLIEPBSPUNHH-UHFFFAOYSA-N,2,1,0.306,38,270,467.583,5.717,6,0.33,0.73,1.0,0.08219964361592763,0.17422554999657322,0.33437564251936125,0.3104910561304914,0.22532297306558835
EOS-2-25785,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cocn1,JIBQZFMMUWZPGW-UHFFFAOYSA-N,2,1,0.534,11,777,432.415,3.611,5,0.36,0.69,1.0,0.9195137413474059,0.7209666917963128,0.6303885957096841,0.48694400657939824,0.6894532588582003
EOS-2-25786,COc1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1cocn1,OTTSFOYOZHMZCP-UHFFFAOYSA-N,2,1,0.533,11,777,432.415,3.611,5,0.36,0.69,1.0,0.8898207799328353,0.7165033239668289,0.5387396340209718,0.4182715372489891,0.6408338187924063
EOS-2-25787,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cocn1,ZCCYXPGCLBPMIR-UHFFFAOYSA-N,2,1,0.528,35,777,432.415,3.611,5,0.385,0.68,1.0,0.8915769995202522,0.6826211363169077,0.6515574669316702,0.5195925570557193,0.6863370399561373
EOS-2-25788,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cocn1,ZCHJXUJOYQSQSZ-UHFFFAOYSA-N,2,1,0.556,11,777,432.415,3.611,5,0.385,0.69,1.0,0.9016174354053869,0.7119714207388116,0.5723562470015763,0.4595555479405113,0.6613751627715715
EOS-2-25789,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cnco1,JMZIQBBCBGIUHO-UHFFFAOYSA-N,2,1,0.553,35,103,432.415,3.611,5,0.36,0.72,1.0,0.8934188883558358,0.6728205743266397,0.6573572750325544,0.5093550818998013,0.6832379549037078
EOS-2-25790,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cocn1,UMGFGUWGZSPHIT-UHFFFAOYSA-N,2,1,0.534,11,729,432.415,3.611,5,0.36,0.7,1.0,0.9111095881022548,0.7072339113151943,0.6429048728668357,0.4991518744431499,0.6901000616818587
EOS-2-25791,CCOc1cc(F)ccc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3OC)n12,NHXWBMQRDIXJSA-UHFFFAOYSA-N,2,1,0.382,96,697,432.415,4.055,5,0.396,0.73,0.999,0.6136916592419985,0.610401960112398,0.6515660338564869,0.5093636488246179,0.5962558255088753
EOS-2-25792,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ccon1,ZMFQEHBHBBCPTD-UHFFFAOYSA-N,2,1,0.573,11,777,432.415,3.611,5,0.385,0.7,1.0,0.8805256665067507,0.6876584881091083,0.5619817010485916,0.44699643615927626,0.6442905729559317
EOS-2-25793,c1cnc(-c2ncc(-c3nnc4cncc(-c5cc(-c6ccnnc6)ncn5)n34)cn2)cn1,WYJFYZWNZMHKNM-UHFFFAOYSA-N,2,1,0.253,86,513,432.411,1.952,6,0.402,0.6,1.0,0.10383969570283051,0.05732129394832431,0.1105475978342814,0.11710986224384895,0.0972046124323213
EOS-2-25794,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)cc2)cc1,QCWGTAYLJIHWBI-UHFFFAOYSA-N,2,1,0.676,83,23,432.405,5.455,5,0.37,0.79,1.0,0.9886745253923651,0.9866955657597148,0.9847937084504146,0.9872267150983483,0.9868476286752107
EOS-2-25795,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5F)n34)c2)cc1F,NZZILUNMLRNQOY-UHFFFAOYSA-N,2,1,0.59,57,853,432.405,5.455,5,0.37,0.76,1.0,0.9572681790144609,0.9656637653347955,0.9841169213898979,0.9865499280378316,0.9733996984442465
EOS-2-25796,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)cc1,YCWUYXRBTNNUQM-UHFFFAOYSA-N,2,1,0.903,83,23,432.405,5.455,5,0.37,0.83,1.0,0.9963504900280995,0.9922554999657323,0.9864556918648482,0.9881690768281818,0.9908076896717154
EOS-2-25797,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)cc1F,SVSPQGAXVPYFOG-UHFFFAOYSA-N,2,1,0.779,57,853,432.405,5.455,5,0.37,0.81,1.0,0.992932287026249,0.9885460215201152,0.9853591254883147,0.9870211089027483,0.9884646357343567
EOS-2-25798,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,ASUUTUGMGJSLHY-UHFFFAOYSA-N,2,1,0.718,57,853,432.405,5.455,5,0.37,0.76,1.0,0.9909447604687821,0.9878863683092317,0.9853676924131314,0.987235282023165,0.9878585258035775
EOS-2-25799,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)cc1,OLLXKQYVJISWSE-UHFFFAOYSA-N,2,1,0.75,57,853,432.405,5.455,5,0.37,0.81,1.0,0.9900023987389487,0.9887773284901652,0.9864642587896648,0.9881776437529984,0.9883554074429443
EOS-2-25800,Fc1ccc(-c2nnc3cncc(OCc4cccc(F)c4-c4ccccc4)n23)cc1F,JXAQOAJQXBOADC-UHFFFAOYSA-N,2,1,0.627,57,853,432.405,5.455,5,0.37,0.75,1.0,0.982643410321431,0.9838256459461312,0.9783599479130971,0.9820265917346309,0.9817138989788226
EOS-2-25801,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cc1,BFVYAYVIQYSQFU-UHFFFAOYSA-N,2,1,0.61,57,23,432.405,5.455,5,0.37,0.79,1.0,0.9710609279692961,0.9656723322596121,0.9831574258104311,0.9868069357823316,0.9766744054554177
EOS-2-25802,FC(F)(F)Oc1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,LUODBCQXQRTXCO-UHFFFAOYSA-N,2,1,0.466,93,472,432.405,6.024,5,0.348,0.92,1.0,0.6304314303337674,0.8573007333287643,0.9933520663422658,0.9915016105818656,0.8681464601466657
EOS-2-25803,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cc2)cc1,UGYWHHYWHYMAHH-UHFFFAOYSA-N,2,1,0.742,83,23,432.405,5.455,5,0.37,0.8,1.0,0.9873552189705983,0.9842197244876979,0.9831659927352477,0.9859502433006648,0.9851727948735522
EOS-2-25804,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(OC(F)F)c5)n34)cc2)cc1,JNERLDLTDBCBOA-UHFFFAOYSA-N,2,1,0.476,83,472,432.405,5.866,5,0.349,0.86,1.0,0.6696165444452059,0.9416763758481256,0.9890343362346652,0.9915101775066822,0.8979593585086697
EOS-2-25805,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cc1,ORZFJWSIKNWEGG-UHFFFAOYSA-N,2,1,0.809,57,23,432.405,5.455,5,0.37,0.85,1.0,0.983106024261531,0.9787368926050305,0.985376259337948,0.9872438489479817,0.9836157562881228
EOS-2-25806,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)c1,QRPOROPRCBGBQS-UHFFFAOYSA-N,2,1,0.667,57,853,432.405,5.455,5,0.37,0.78,1.0,0.9572767459392776,0.9693047083818792,0.9841254883147146,0.9865584949626482,0.9743163593996299
EOS-2-25807,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccccc5)n34)ccc2F)cc1F,JZZNXWCGXZSBHY-UHFFFAOYSA-N,2,1,0.64,57,853,432.405,5.455,5,0.37,0.75,1.0,0.9863614556918648,0.9854276608868481,0.9838684805702145,0.9854190939620314,0.9852691727777396
EOS-2-25808,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2)cc1,GODGLWCPJYNSFB-UHFFFAOYSA-N,2,1,0.676,83,23,432.405,5.455,5,0.37,0.74,1.0,0.9905335480775821,0.9854362278116647,0.9845881022548146,0.9872524158727983,0.9869525735042148
EOS-2-25809,FC(F)(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)cc4)n23)cc1,HBODMNDBWZYICS-UHFFFAOYSA-N,2,1,0.696,79,528,432.405,6.269,5,0.336,0.83,1.0,0.9784284833116305,0.9577736275786444,0.9950568843807827,0.992778082379549,0.9810092694126517
EOS-2-25810,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)cc1F,ZBWCHXRTOKDUKQ-UHFFFAOYSA-N,2,1,0.704,57,853,432.405,5.455,5,0.37,0.79,1.0,0.9818038516893975,0.9808700568843808,0.9814868754711809,0.9844081968336645,0.982142245219656
EOS-2-25811,Fc1cccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)c1,WYVWQQYDQWKETA-UHFFFAOYSA-N,2,1,0.746,57,853,432.405,5.455,5,0.37,0.82,1.0,0.9676427249674456,0.9714036049619629,0.9841340552395312,0.9868155027071482,0.977498971969022
EOS-2-25812,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5F)n34)cc2)cc1F,ZYGIGLAVCZMRQV-UHFFFAOYSA-N,2,1,0.635,57,853,432.405,5.455,5,0.37,0.75,1.0,0.9863700226166815,0.9864128572407649,0.9856589678568981,0.987260982797615,0.9864257076279899
EOS-2-25813,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)c2)cc1,SIEKCXQSWGLQMX-UHFFFAOYSA-N,2,1,0.618,57,23,432.405,5.455,5,0.37,0.82,1.0,0.9676512918922624,0.9678311973134124,0.9831745596600644,0.9865670618874649,0.976306027688301
EOS-2-25814,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)cc1,FAIKPSMPMVSHNG-UHFFFAOYSA-N,2,1,0.681,83,23,432.405,5.455,5,0.37,0.79,1.0,0.9914330751833322,0.9876122267150983,0.985042149270098,0.987029675827565,0.9877792817490234
EOS-2-25815,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ccc5F)cc4)n23)cc1,KMRJBSFXKNLBLB-UHFFFAOYSA-N,2,1,0.714,57,23,432.405,5.455,5,0.37,0.77,1.0,0.9901823041600987,0.9890686039339319,0.9848022753752314,0.9872695497224316,0.9878306832979233
EOS-2-25816,COc1cc(-c2nnc3cncc(OCc4cncc(CO)n4)n23)ccc1-c1ncon1,NXEKOAXOCYLINJ-UHFFFAOYSA-N,2,1,0.462,7,815,432.4,1.711,5,0.401,0.72,1.0,0.40590946473853745,0.19100815571242546,0.16421938181070522,0.08748543622781166,0.21215560962236996
EOS-2-25817,COc1cncc(COc2cncc3nnc(-c4ccc(-c5ncco5)c(OC)n4)n23)n1,ILEKMPQQLFNHGK-UHFFFAOYSA-N,2,1,0.418,49,501,432.4,2.227,5,0.374,0.6,1.0,0.3206514289630594,0.11798368857514907,0.06783291069837571,0.019412651634569254,0.13147016996778838
EOS-2-25818,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5noc(C)n5)c(OC)n4)n23)cn1,BYIKHKKEQKZHEO-UHFFFAOYSA-N,2,1,0.369,49,896,432.4,2.749,5,0.392,0.6,0.999,0.3133352751696251,0.11500239873894867,0.06584538414090878,0.017193818107052294,0.12784421903913373
EOS-2-25819,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nn4)n23)cn1,KKJHVVVZHJSBPC-UHFFFAOYSA-N,2,1,0.482,54,411,432.394,2.938,5,0.377,0.62,1.0,0.8388304434240285,0.7303046398464808,0.5318432595435543,0.5298471660612707,0.6577063772188336
EOS-2-25820,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,NYSVVBHEPCOLHT-UHFFFAOYSA-N,2,1,0.53,20,658,432.394,2.938,5,0.403,0.68,1.0,0.7745185388253033,0.707242478240011,0.45230792954561033,0.45956411486532794,0.5984082653690631
EOS-2-25821,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)cn1,DMDNJRBAEPYBRV-UHFFFAOYSA-N,2,1,0.512,65,76,432.394,2.938,5,0.298,0.67,1.0,0.856898087862381,0.8776386128435337,0.5879394832430951,0.5260520183674868,0.7121320505791242
EOS-2-25822,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nn2)c1,XBPZCEMKJRNRLC-UHFFFAOYSA-N,2,1,0.462,54,411,432.394,2.938,5,0.377,0.67,1.0,0.8266054417106435,0.6777551230210404,0.52516962511137,0.5396648619011719,0.6422987629360564
EOS-2-25823,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)nn4)n23)cc1F,ONIVQAHJCMAIIV-UHFFFAOYSA-N,2,1,0.607,54,691,432.394,2.938,5,0.403,0.63,1.0,0.8158453841409088,0.7661486532794188,0.6333613186210678,0.6387156466314852,0.7135177506682201
EOS-2-25824,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)c1,DVCQNQWNCZQLJQ-UHFFFAOYSA-N,2,1,0.505,87,304,432.394,2.938,5,0.377,0.65,1.0,0.8185953670070591,0.8660389966417654,0.5286477965869372,0.4961962853813995,0.6773696114042904
EOS-2-25825,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)nc1,PFTJPDOTXHJKBO-UHFFFAOYSA-N,2,1,0.396,54,873,432.394,2.938,5,0.377,0.65,0.997,0.608106024261531,0.5109485299157015,0.452316496470427,0.48421115756288124,0.5138955520526352
EOS-2-25826,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)n1,PRYMXFCIRYTAHE-UHFFFAOYSA-N,2,1,0.474,87,173,432.394,2.938,5,0.298,0.65,1.0,0.7689072030703858,0.8411692138989788,0.49373757795901585,0.4562230141868275,0.6400092522788019
EOS-2-25827,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)c4)n23)cn1,CNWLCQAVJNGFCL-UHFFFAOYSA-N,2,1,0.494,2,435,432.394,3.555,5,0.401,0.7,1.0,0.7362500856692482,0.6385785758344185,0.8066359399629909,0.7020252210266603,0.7208724556233295
EOS-2-25828,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)ncc1F,WYLGQBOJSLOSNM-UHFFFAOYSA-N,2,1,0.387,54,691,432.394,3.204,5,0.417,0.68,0.992,0.6362141045850181,0.5961894318415462,0.360299157014598,0.402439860187787,0.49878563840723733
EOS-2-25829,Cc1cnc(COc2cncc3nnc(-c4cc(F)c(-c5cnccn5)cc4F)n23)cn1,BMICKLKMMIVESX-UHFFFAOYSA-N,2,1,0.477,7,815,432.394,3.204,5,0.417,0.67,1.0,0.7027191419368104,0.6924559660064423,0.6040710026728805,0.5496367623877733,0.6372207182509766
EOS-2-25830,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)ncc2F)nn1,ZKTCTGKELWAKOU-UHFFFAOYSA-N,2,1,0.435,46,128,432.394,3.204,5,0.417,0.59,0.999,0.5312778425056541,0.5069306421766843,0.5216400520869029,0.49301795627441575,0.5132166232609142
EOS-2-25831,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)nc1,LLJGSTDALNLUTM-UHFFFAOYSA-N,2,1,0.536,2,491,432.394,2.938,5,0.403,0.69,1.0,0.7916352546090055,0.7349564800219314,0.5387482009457885,0.5260605852923035,0.6478501302172572
EOS-2-25832,Nc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)c(F)c1,FQXARRURKYDDTR-UHFFFAOYSA-N,2,1,0.389,46,959,432.394,3.083,5,0.421,0.65,1.0,0.46600644232746213,0.38946096909053524,0.6160218627921321,0.5941590706599958,0.5164120862175313
EOS-2-25833,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)nc1,SLVROEZUADRTCL-UHFFFAOYSA-N,2,1,0.522,87,930,432.394,2.938,5,0.403,0.69,1.0,0.8363374683023782,0.857309300253581,0.40829106983757113,0.4182801041738058,0.630054485641834
EOS-2-25834,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)cn1,ARWBIJYVZZUWBU-UHFFFAOYSA-N,2,1,0.451,18,773,432.394,2.938,5,0.377,0.57,1.0,0.7831796998149544,0.7209752587211294,0.5976201082859297,0.5659481872387088,0.6669308135151806
EOS-2-25835,Fc1nccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nc2F)n1,HCPONWLCPGGEFB-UHFFFAOYSA-N,2,1,0.446,18,773,432.394,2.938,5,0.298,0.55,1.0,0.80015934480159,0.692464532931259,0.4662634500719622,0.4343687889795079,0.5983140291960798
EOS-2-25836,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)cn1,ADZJQOWDKPXUSF-UHFFFAOYSA-N,2,1,0.505,65,434,432.394,2.938,5,0.298,0.67,1.0,0.8860513330135015,0.8826416969364677,0.5557192790076074,0.49916044136796656,0.7058931875813858
EOS-2-25837,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cnnc(-c5cncnc5)c4)n23)c1,ZAFWSMPYKSUNFV-UHFFFAOYSA-N,2,1,0.505,84,672,432.394,2.938,5,0.403,0.51,1.0,0.7425125077102324,0.770269344116236,0.6844030566787745,0.6852683160852581,0.7206133061476253
EOS-2-25838,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nc4)n23)cn1,LRVJVDTXPLYHGZ-UHFFFAOYSA-N,2,1,0.536,55,540,432.394,3.555,5,0.401,0.66,1.0,0.7861524227263381,0.6630542800356384,0.7133078610102118,0.5910578438763622,0.6883931019121377
EOS-2-25839,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)c1,WPGCBIBCHAFUPT-UHFFFAOYSA-N,2,1,0.527,65,434,432.394,2.938,5,0.377,0.67,1.0,0.8879874580220684,0.8776471797683504,0.584795421835378,0.5396734288259887,0.7225258721129463
EOS-2-25840,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nn2)nc1,LCSVELODUXHWTK-UHFFFAOYSA-N,2,1,0.466,54,411,432.394,2.938,5,0.377,0.66,0.999,0.8266140086354602,0.6924730998560756,0.469852991570146,0.489942430265232,0.6197206325817284
EOS-2-25841,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)c(F)n4)n23)cn1,HELIEXOJLQQBEG-UHFFFAOYSA-N,2,1,0.446,18,773,432.394,2.938,5,0.377,0.57,1.0,0.8266225755602769,0.7072510451648276,0.5387567678706051,0.5061767527928175,0.6447017853471317
EOS-2-25842,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)n1,PASAJRYTUNKPLE-UHFFFAOYSA-N,2,1,0.432,46,500,432.394,3.204,5,0.39,0.7,1.0,0.5338993214995545,0.4664176547186622,0.4627510108971284,0.4499520252210267,0.47825500308409297
EOS-2-25843,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)nn1,UDIHRSFFBAUIST-UHFFFAOYSA-N,2,1,0.495,2,904,432.394,2.938,5,0.403,0.61,1.0,0.7273661846343636,0.7072596120896443,0.6071036940579809,0.587888081694195,0.657404393119046
EOS-2-25844,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cc2)nn1,XAWWDIVXAVAYTO-UHFFFAOYSA-N,2,1,0.489,4,526,432.394,3.204,5,0.417,0.7,1.0,0.7660801178808855,0.6679459941059557,0.5352186279213214,0.5061853197176341,0.6188575149064491
EOS-2-25845,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncncn5)c(F)c4)n23)n1,QJJINTKYAUOGIJ-UHFFFAOYSA-N,2,1,0.517,37,639,432.394,2.938,5,0.377,0.65,1.0,0.9487269549722431,0.8981649647042698,0.5318518264683709,0.5164142279487355,0.7237894935234048
EOS-2-25846,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)n4)n23)cn1,QJGPKSMMMDBYGT-UHFFFAOYSA-N,2,1,0.5,27,69,432.394,3.555,5,0.401,0.64,1.0,0.6247772599547666,0.5914947570420122,0.5976286752107464,0.5030155575354671,0.579229062435748
EOS-2-25847,Fc1cncc(F)c1CCOc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,VXPVCBYHMJDWIH-UHFFFAOYSA-N,2,1,0.489,2,559,432.394,2.938,5,0.403,0.7,1.0,0.7541292577616339,0.6973305462271263,0.5943304091563293,0.5910664108011788,0.6592141559865671
EOS-2-25848,Cc1nc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,DRFKWVUVGRLFAJ-UHFFFAOYSA-N,2,1,0.462,82,121,432.394,3.615,5,0.415,0.68,1.0,0.505671304228634,0.5573983962716743,0.7316239462682476,0.6645706257281886,0.6148160681241862
EOS-2-25849,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)c1,HGFBPRXTLDTPIK-UHFFFAOYSA-N,2,1,0.432,18,773,432.394,2.938,5,0.377,0.62,1.0,0.8056164759098075,0.7072681790144609,0.5911435131245288,0.5786358028921939,0.6706659927352477
EOS-2-25850,N=c1[nH]c(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)ncc1F,WUTMKPMIOTYXMK-UHFFFAOYSA-N,2,1,0.451,97,801,432.394,2.913,5,0.441,0.6,1.0,0.5544342402851072,0.5620416695223083,0.6100764169693647,0.5999417449112466,0.5816235179220067
EOS-2-25851,Cc1nc(-c2cnc(F)cn2)cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)n1,MWKGYHOIVMBTBV-UHFFFAOYSA-N,2,1,0.451,46,330,432.394,3.204,5,0.417,0.68,1.0,0.7150469467479953,0.5665821396751423,0.4763638544308135,0.4809300253580975,0.5597307415530122
EOS-2-25852,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)nc1,NNJFYWFHYYAABE-UHFFFAOYSA-N,2,1,0.538,65,263,432.394,2.938,5,0.377,0.67,1.0,0.8915855664450689,0.8908573778356521,0.46986155849496264,0.4470050030840929,0.6748273764649442
EOS-2-25853,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)c1,KMZZZZRUNAFDCU-UHFFFAOYSA-N,2,1,0.443,87,814,432.394,2.938,5,0.377,0.57,0.998,0.7305359468165308,0.677763689945857,0.535227194846138,0.5364608320197382,0.619996915907066
EOS-2-25854,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)nn1,SMSBHAJFISDOGK-UHFFFAOYSA-N,2,1,0.513,61,121,432.394,3.615,5,0.415,0.76,1.0,0.4906877527242821,0.5868343499417449,0.6459975327256527,0.6091854567884313,0.5831762730450277
EOS-2-25855,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)cc1F,YTFMDQYMGDPNEM-UHFFFAOYSA-N,2,1,0.441,18,503,432.394,2.938,5,0.403,0.68,1.0,0.6966023576177095,0.5763055993420602,0.5587177026934411,0.6124323212939483,0.6110144952367897
EOS-2-25856,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccnnc5)c(F)cn4)n23)c1,MPFQCZUKVWYCQN-UHFFFAOYSA-N,2,1,0.426,18,466,432.394,2.938,5,0.403,0.62,1.0,0.7632444657665685,0.6385871427592351,0.6365996162017682,0.6359485299157015,0.6685949386608183
EOS-2-25857,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2)c1,GFFHKFOYNIAHDR-UHFFFAOYSA-N,2,1,0.442,54,411,432.394,2.938,5,0.403,0.66,0.764,0.7060516756904941,0.6242289767664999,0.46627201699677884,0.5093722157494346,0.5764812213008018
EOS-2-25858,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c(F)c1,FKEWELJVPLZQSQ-UHFFFAOYSA-N,2,1,0.432,54,411,432.394,2.938,5,0.403,0.71,1.0,0.6539647728051539,0.6385957096840518,0.4082996367623878,0.44996059214584333,0.5377051778493592
EOS-2-25859,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)cn5)n4)n23)cn1,DPIHPIUCZHNVGA-UHFFFAOYSA-N,2,1,0.478,55,390,432.394,3.204,5,0.417,0.65,1.0,0.6966109245425263,0.7303132067712974,0.4904393119045987,0.4403570694263587,0.5894301281611952
EOS-2-25860,FCc1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)nn2)c1,FKXZNSLYTRXTOP-UHFFFAOYSA-N,2,1,0.411,54,670,432.394,3.226,5,0.377,0.71,0.875,0.5339078884243712,0.46642622164347886,0.5007196216846,0.48093859228291413,0.495498081008841
EOS-2-25861,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)nc1,KCNSDSBQBGTIAC-UHFFFAOYSA-N,2,1,0.517,2,491,432.394,2.938,5,0.403,0.65,1.0,0.8337845247070111,0.7255842642724968,0.5113683092317182,0.5061938866424508,0.6442327462134192
EOS-2-25862,Cc1nc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1cnc(F)cn1,GUZYZSKVPHTWHF-UHFFFAOYSA-N,2,1,0.457,46,338,432.394,3.204,5,0.417,0.62,0.813,0.5682955246384758,0.557406963196491,0.4835172366527311,0.44996915907066,0.5147972208895895
EOS-2-25863,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1F,RNWGUBWFAUNBMB-UHFFFAOYSA-N,2,1,0.516,87,324,432.394,2.938,5,0.377,0.69,1.0,0.8212853813994928,0.8691916249742992,0.5007281886094168,0.4688934959906792,0.6650246727434721
EOS-2-25864,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5F)nn4)n23)nc1,COXSPZNKZPQUHU-UHFFFAOYSA-N,2,1,0.484,54,411,432.394,2.938,5,0.377,0.65,0.698,0.7305445137413474,0.6679545610307724,0.430188129668974,0.4562315811116442,0.5712296963881844
EOS-2-25865,Cc1ccncc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)nn1,OHCANWVVCDRUPF-UHFFFAOYSA-N,2,1,0.398,54,411,432.394,3.204,5,0.39,0.55,0.988,0.711782948392845,0.5432115687752724,0.6009012404907135,0.552815091494757,0.602177712288397
EOS-2-25866,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nn4)n23)nc1,IPZROQUMYMTSRW-UHFFFAOYSA-N,2,1,0.457,54,411,432.394,2.938,5,0.403,0.68,0.757,0.6877612912069083,0.6289664861901172,0.45917003632376124,0.49620485230621614,0.5680256665067507
EOS-2-25867,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nn2)c1,MKKBGHBXLDEKCJ-UHFFFAOYSA-N,2,1,0.411,54,411,432.394,2.938,5,0.377,0.73,0.927,0.702727708861627,0.6198855458844493,0.4301966965937907,0.46890206291549585,0.5554280035638407
EOS-2-25868,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1F,UYOSHASBKLSRKH-UHFFFAOYSA-N,2,1,0.522,65,324,432.394,2.938,5,0.403,0.66,1.0,0.777594064834487,0.8376653416489617,0.545438969227606,0.5164227948735521,0.6692802926461517
EOS-2-25869,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)c1,FFEHFJBPVJPURN-UHFFFAOYSA-N,2,1,0.477,54,411,432.394,2.938,5,0.403,0.72,0.993,0.7485436227811665,0.7119799876636282,0.5352357617709547,0.5659567541635254,0.6404290315948187
EOS-2-25870,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cn4)n23)nc1,YNKBTMIDFDSJKB-UHFFFAOYSA-N,2,1,0.453,54,411,432.394,2.938,5,0.403,0.64,0.983,0.7243848947981633,0.7119885545884449,0.46275957782194505,0.4626139401000617,0.5904367418271537
EOS-2-25871,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nn4)n23)nc1,CARGABXKCIMNJJ-UHFFFAOYSA-N,2,1,0.457,54,411,432.394,2.938,5,0.377,0.67,0.892,0.7213008018641628,0.687667055033925,0.4698701254197793,0.48695257350421495,0.5914476389555204
EOS-2-25872,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)nc1,LHRSLEJQAKDJFF-UHFFFAOYSA-N,2,1,0.578,75,263,432.394,2.938,5,0.403,0.65,1.0,0.8434565828250291,0.7209838256459461,0.49715578096086627,0.4842197244876979,0.6364539784798848
EOS-2-25873,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)nn2)c1,QZTNSEOOXSXLBY-UHFFFAOYSA-N,2,1,0.427,54,411,432.394,2.938,5,0.403,0.74,0.986,0.6757761633883901,0.6242375436913166,0.41543588513467206,0.4689106298403125,0.5460900555136727
EOS-2-25874,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nn4)n23)c1,XJMUJLCNBBHJHB-UHFFFAOYSA-N,2,1,0.453,54,411,432.394,2.938,5,0.377,0.68,0.923,0.7243934617229799,0.697339113151943,0.47319409224864645,0.4991690082927832,0.5985239188540881
EOS-2-25875,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cn2)cn1,LXIKJVYSMWJGMA-UHFFFAOYSA-N,2,1,0.461,55,282,432.394,3.204,5,0.39,0.69,1.0,0.8388390103488452,0.7443458296209993,0.6515746007813036,0.5496453293125899,0.6961011925159345
EOS-2-25876,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nc2F)nc1,NWJVNMCSIDOULH-UHFFFAOYSA-N,2,1,0.483,18,262,432.394,2.938,5,0.377,0.65,1.0,0.8158539510657254,0.7303217736961141,0.4154444520594887,0.4088307861010212,0.5926127407305873
EOS-2-25877,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cn1,XFQHKXZEZKYFSI-UHFFFAOYSA-N,2,1,0.489,27,69,432.394,3.555,5,0.401,0.73,1.0,0.6634911932012885,0.6339181687341512,0.6679973956548557,0.5659653210883421,0.6328430196696594
EOS-2-25878,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5cc(F)ccc5F)n34)n2)cn1,ZRLHIRHUHUWMAO-UHFFFAOYSA-N,2,1,0.451,73,401,432.394,3.204,5,0.417,0.72,1.0,0.6603128640943047,0.6924816667808923,0.5723648139263929,0.5396819957508053,0.6162103351380988
EOS-2-25879,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)n4)n23)cn1,SPCAZLXXILYBEG-UHFFFAOYSA-N,2,1,0.461,18,773,432.394,2.938,5,0.377,0.55,1.0,0.7973065588376397,0.7303303406209307,0.5185473922280858,0.4930265231992324,0.6348027037214722
EOS-2-25880,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)cn1,XYDQMIJRLAINML-UHFFFAOYSA-N,2,1,0.494,27,69,432.394,3.555,5,0.401,0.69,0.999,0.630439997258584,0.6153450757316153,0.6543074497978206,0.562641354259475,0.6156834692618738
EOS-2-25881,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)n5)n34)nn2)cn1,OAEJDCYRCCMZSX-UHFFFAOYSA-N,2,1,0.444,54,670,432.394,3.204,5,0.39,0.68,1.0,0.5939191967651292,0.5815399904050442,0.5352443286957713,0.4809471592077308,0.5479126687684188
EOS-2-25882,FC(F)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)cc1,ZZVUYCJWLOUJPK-UHFFFAOYSA-N,2,1,0.472,27,343,432.394,3.555,5,0.401,0.75,1.0,0.8313857857583442,0.7397710917688987,0.7238880131587965,0.6503152628332534,0.7363400383798232
EOS-2-25883,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)ncn2)ccn1,RJAFETQHGVZHON-UHFFFAOYSA-N,2,1,0.364,46,395,432.394,3.226,5,0.377,0.63,0.982,0.5519326982386402,0.4532074566513604,0.5848039887601947,0.5228394215612364,0.5281958913028579
EOS-2-25884,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnnc5)c4)n23)cn1,KENLZQBSHGHVJU-UHFFFAOYSA-N,2,1,0.5,27,69,432.394,3.555,5,0.401,0.65,1.0,0.7060602426153109,0.6104105270372148,0.8110479062435748,0.7104036734973613,0.7094805873483654
EOS-2-25885,FC(F)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnccn5)n4)n23)cc1,AHYMFBSJESMMJE-UHFFFAOYSA-N,2,1,0.483,27,343,432.394,3.555,5,0.401,0.72,1.0,0.8238897265437598,0.7613940100061681,0.6627630045918717,0.5969433212254129,0.7112475155918031
EOS-2-25886,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)nc2F)c1,CZNRTMFPSWZJAM-UHFFFAOYSA-N,2,1,0.404,18,658,432.394,2.938,5,0.377,0.62,1.0,0.7362586525940649,0.6777722568706737,0.4835258035775478,0.49303509012404906,0.5976479507915838
EOS-2-25887,Oc1cccnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)nc1,ZTMVFBNEAZQMQY-UHFFFAOYSA-N,2,1,0.558,34,850,432.39,3.811,5,0.451,0.66,1.0,0.7514392433692002,0.8116218902062915,0.7920464670002056,0.7630559934206017,0.7795408984990748
EOS-2-25888,COc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cccnc1,DGKPINPMRXJDSL-UHFFFAOYSA-N,2,1,0.413,13,145,432.39,4.327,5,0.409,0.79,1.0,0.7213093687889796,0.6581711328901377,0.7877715715166884,0.7289082311013638,0.7240400760742924
EOS-2-25889,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)n[nH]1,SEMBFGJGLCPVMZ-UHFFFAOYSA-N,2,1,0.688,43,96,432.39,3.399,5,0.457,0.8,1.0,0.9461997121513261,0.7831711328901377,0.8792920293331505,0.8609159756013981,0.8673947124940031
EOS-2-25890,COc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nc2)cn1,MPZZAKJFXXKDAU-UHFFFAOYSA-N,2,1,0.432,13,145,432.39,4.327,5,0.409,0.8,1.0,0.7362672195188815,0.7255928311973134,0.847457336714413,0.7777568364060037,0.771768555959153
EOS-2-25891,O=c1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)n[nH]1,GVYOGTDNTJQYNS-UHFFFAOYSA-N,2,1,0.495,57,709,432.39,3.399,5,0.457,0.76,1.0,0.7944794736481393,0.5763141662668768,0.8584144335549311,0.852588924679597,0.770449249537386
EOS-2-25892,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nn4)n23)cc1,WCOBXJYAKMAONT-UHFFFAOYSA-N,2,1,0.658,1,640,432.39,4.642,5,0.386,0.79,1.0,0.9333407580015077,0.8411777808237955,0.8714875608251662,0.8377767116715784,0.8709457028305119
EOS-2-25893,COc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ccccn1,JXFIPHGNHUCSQQ-UHFFFAOYSA-N,2,1,0.409,13,703,432.39,4.327,5,0.409,0.68,1.0,0.7362757864436982,0.6679631279555891,0.7238965800836132,0.6673291755191556,0.698866167500514
EOS-2-25894,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1ccnnc1,RQWYAMIXCWZION-UHFFFAOYSA-N,2,1,0.633,13,209,432.39,4.327,5,0.409,0.75,1.0,0.8503786580768967,0.7916866561579056,0.9176975532862723,0.8737577959015832,0.8583801658556645
EOS-2-25895,Oc1ccc(-c2nnc3cncc(OCc4cnccn4)n23)cc1-c1ccc(F)c(F)c1,SFHBHGGNYOGFOO-UHFFFAOYSA-N,2,1,0.489,97,401,432.39,3.811,5,0.451,0.72,1.0,0.8616355972859983,0.7661572202042355,0.8742289767664999,0.8490850524295799,0.8377767116715783
EOS-2-25896,OCc1cccc(-c2nnc3cncc(-c4cccnc4Oc4ccc(F)c(F)c4)n23)n1,BKNRKLUKPLPTCI-UHFFFAOYSA-N,2,1,0.38,96,586,432.39,3.811,5,0.451,0.75,1.0,0.5131330957439517,0.6008241381673635,0.7877801384415051,0.7604516482763347,0.6655472551572887
EOS-2-25897,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)nc1,HGGNNNQZOARGFP-UHFFFAOYSA-N,2,1,0.481,1,616,432.39,4.642,5,0.386,0.8,1.0,0.8212939483243095,0.734965046946748,0.8643941470769653,0.8256116784319101,0.8115662051949832
EOS-2-25898,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5ncccn5)cc4)n23)cc1F,KDYLREFWPVQUIK-UHFFFAOYSA-N,2,1,0.727,1,96,432.39,4.231,5,0.397,0.8,1.0,0.9790196011239806,0.9209701185662394,0.8701339867041327,0.804905421150024,0.8937572818860942
EOS-2-25899,COc1cc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)ccc1-c1cnccn1,CKYJQTCVVOVIQH-UHFFFAOYSA-N,2,1,0.537,13,209,432.39,4.327,5,0.409,0.76,1.0,0.8726355287505997,0.7786049619628538,0.8714961277499829,0.8177558083750257,0.8351231067096154
EOS-2-25900,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cncnc1,LINSECPKMBTRPH-UHFFFAOYSA-N,2,1,0.506,13,209,432.39,4.327,5,0.409,0.69,1.0,0.8503872250017134,0.7744243026523199,0.9072544719347543,0.8575748749228976,0.8474102186279213
EOS-2-25901,COc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)cc2)cn1,LTKVVLUFGGDDRQ-UHFFFAOYSA-N,2,1,0.68,13,15,432.39,4.327,5,0.409,0.77,1.0,0.9404941402234254,0.8542423411692139,0.8584230004797478,0.7915667192104722,0.8611815502707149
EOS-2-25902,Oc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1ccccn1,KIRVQGHBLMRZAS-UHFFFAOYSA-N,2,1,0.552,97,71,432.39,3.811,5,0.451,0.62,1.0,0.783188266739771,0.7119971215132616,0.8295952984716606,0.786932012884655,0.777928174902337
EOS-2-25903,Cn1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2)cc1=O,GXCZESYUJXCZAK-UHFFFAOYSA-N,2,1,0.512,13,913,432.39,3.623,5,0.431,0.81,1.0,0.5441624974299225,0.5815485573298609,0.8256116784319101,0.8113049139880748,0.690656911794942
EOS-2-25904,OCc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cc2)cn1,XZWQIPHBPRANRM-UHFFFAOYSA-N,2,1,0.53,13,15,432.39,3.811,5,0.451,0.81,1.0,0.8704766636967994,0.8826502638612843,0.8630491398807484,0.8416917963127956,0.864466965937907
EOS-2-25905,OCc1cnc(COc2cncc3nnc(-c4cc(-c5cnc(F)nc5)ncn4)n23)cn1,KNXKOAKCIPNWNL-UHFFFAOYSA-N,2,1,0.371,7,113,432.379,1.039,5,0.383,0.55,0.942,0.48825474607634844,0.4310962236995408,0.16112672195188815,0.11935439654581591,0.29995802206839833
EOS-2-25906,Cc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1F,CQIMXNAZHDTBHW-UHFFFAOYSA-N,2,1,0.705,48,40,432.377,4.759,4,0.411,0.8,1.0,0.9900109656637653,0.9929408539510657,0.9931036255225825,0.9811784661777808,0.9893084778287986
EOS-2-25907,Fc1cc(-c2nnc3cncc(OCC4Oc5ccccc5O4)n23)ccc1-c1nn[nH]n1,OAHKAQZDGOFGRK-UHFFFAOYSA-N,2,1,0.489,72,6,432.375,2.287,6,0.445,0.67,1.0,0.9181087656774725,0.8634774861215818,0.6543160167226373,0.5910749777259955,0.7567443115619218
EOS-2-25908,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)cc1,JEZMPPIUSJJAJW-UHFFFAOYSA-N,2,1,0.56,43,909,432.371,3.258,5,0.43,0.74,1.0,0.7027362757864437,0.13526317593036805,0.6429134397916524,0.48422829141251456,0.4912852957302447
EOS-2-25909,Cn1nc(-c2ccc(F)c(F)c2)nc1-c1cncc2nnc(-c3ccc(C#N)cc3F)n12,SHMNWZDMOJAPLE-UHFFFAOYSA-N,2,1,0.418,22,316,432.369,3.543,5,0.433,0.76,1.0,0.26512918922623535,0.5340963607703378,0.8149201562607087,0.8706822698923994,0.6212069940374203
EOS-2-25910,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nn2)c1,FSHNDRDMCWCRMF-UHFFFAOYSA-N,2,1,0.378,61,331,432.369,3.929,5,0.429,0.77,1.0,0.13858714275923514,0.2604345144267014,0.9780515386196971,0.9643358919882119,0.5853522719484614
EOS-2-25911,N#Cc1cc(F)cc(-c2nnc3cncc(OCc4nnc(-c5ccc(F)cn5)o4)n23)c1,JBRBVAUFOCXZQU-UHFFFAOYSA-N,2,1,0.495,4,483,432.35,2.965,5,0.412,0.73,1.0,0.7090158316770612,0.7120056884380783,0.5687838393530258,0.615405044205332,0.6513026009183743
EOS-2-25912,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(Br)cc4)n23)nc1,NPVQSPVFRRDKCU-UHFFFAOYSA-N,2,1,0.448,96,140,432.285,4.016,5,0.431,0.78,1.0,0.18007675964635733,0.32670824480844357,0.5814971557809608,0.5969518881502296,0.42130851209649783
EOS-2-25913,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(Cl)c(Br)c4)n23)cc1,AJIRDSKTHXUFAA-UHFFFAOYSA-N,2,1,0.356,61,765,467.718,4.065,5,0.372,0.74,1.0,0.19144506887807552,0.3462922349393462,0.5488314714550065,0.6212219861558494,0.4269476903570694
EOS-2-25914,N#Cc1ccc(-c2nnc3cncc(-c4cnn(-c5cc(Cl)cc(Cl)c5)c4)n23)cc1,MILZSJXVINPAKB-UHFFFAOYSA-N,2,1,0.453,96,246,432.274,4.822,5,0.408,0.77,0.999,0.06782434377355905,0.32221060927969297,0.9366818586800082,0.9652868206428621,0.5730009080940306
EOS-2-25915,Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)c(Cl)c4)n23)ccc1Cl,TZBUAQCQIXLIJB-UHFFFAOYSA-N,2,1,0.346,45,46,467.747,6.184,5,0.317,0.85,1.0,0.3357463504900281,0.5250068535398533,0.9455486258652595,0.9741278870536633,0.695107429237201
EOS-2-25916,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cc5F)o4)n23)cc1,MVHLDJBVIZIAGF-UHFFFAOYSA-N,2,1,0.543,34,372,467.804,4.121,5,0.267,0.76,1.0,0.8238982934685766,0.7443543965458159,0.4802275375231307,0.38065417037900073,0.607283599479131
EOS-2-25917,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(-c5cccc(Cl)c5)nn4)n23)nc1,DDRWQGCVADWJJJ-UHFFFAOYSA-N,2,1,0.441,19,706,467.823,4.69,5,0.354,0.79,1.0,0.7689157699952025,0.8376739085737783,0.8659019258446988,0.8658162565965322,0.834576965252553
EOS-2-25918,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2F)n[nH]1,QRRJBJKZUVHAFI-UHFFFAOYSA-N,2,1,0.478,34,526,467.823,3.447,5,0.421,0.71,1.0,0.7027448427112604,0.692490233705709,0.8028493591940237,0.8275306695908436,0.7564037763004591
EOS-2-25919,COc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)n1,PTMIUGKMHOLJEG-UHFFFAOYSA-N,2,1,0.402,13,971,467.823,4.376,5,0.375,0.62,1.0,0.7181481735316291,0.615353642656432,0.689885888561442,0.7045867315468439,0.6819936090740868
EOS-2-25920,Cn1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2F)ccc1=O,RTWIURDASRHFJO-UHFFFAOYSA-N,2,1,0.389,13,251,467.823,3.671,5,0.372,0.65,0.992,0.4543211568775272,0.5481461174696731,0.6844116236035912,0.7318552532382976,0.6046835377972724
EOS-2-25921,Cn1ncc(-c2cc(-c3nnc4cncc(Oc5cnc(Cl)c(F)c5)n34)ccc2F)cc1=O,NNWISDHKQIHZOE-UHFFFAOYSA-N,2,1,0.426,13,605,467.823,3.671,5,0.372,0.68,1.0,0.5850609965046947,0.6728291412514564,0.833013501473511,0.8417003632376122,0.7331510006168186
EOS-2-25922,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cc2F)n[nH]1,HQIABEGDSJKBQN-UHFFFAOYSA-N,2,1,0.489,59,469,467.823,3.447,5,0.421,0.64,1.0,0.702753409636077,0.712014255362895,0.8474659036392297,0.8592882598862313,0.7803804571311082
EOS-2-25923,FC(F)Oc1ncc(-c2cccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,PPBLVWSEPUFJGH-UHFFFAOYSA-N,2,1,0.494,13,412,467.823,4.69,5,0.354,0.79,1.0,0.8986190117195532,0.9374014803646084,0.8411006785004455,0.8113134809128915,0.8721086628743746
EOS-2-25924,Fc1ccc(Oc2cnc(COc3cncc4nnc(-c5ccccc5Cl)n34)nn2)c(F)c1,SYKOPODDICMXRQ-UHFFFAOYSA-N,2,1,0.494,34,146,467.823,4.279,5,0.365,0.72,1.0,0.7117915153176616,0.8660475635665822,0.7187050236447124,0.7869405798094716,0.770871170584607
EOS-2-25925,Cn1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)nc2F)ccc1=O,MFKAQKGCSXOIAO-UHFFFAOYSA-N,2,1,0.389,13,251,467.823,3.671,5,0.372,0.7,0.992,0.44966074977725995,0.5385168939757384,0.684420190528408,0.734579535329998,0.6017943424028511
EOS-2-25926,FC(F)c1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccnnc1,TXEOPTIHFROJCP-UHFFFAOYSA-N,2,1,0.358,51,924,467.827,3.603,5,0.369,0.59,1.0,0.6362226715098348,0.6679716948804058,0.5655112740730588,0.5364693989445548,0.6015437598519635
EOS-2-25927,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)c2)nc1,SNEKCPRKUBELAE-UHFFFAOYSA-N,2,1,0.444,2,491,467.827,2.986,5,0.347,0.6,1.0,0.7916438215338222,0.7872832568021383,0.33044342402851073,0.40244842711260365,0.5779547323692688
EOS-2-25928,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)nn2)c1,XRNBHMKBEFDXAV-UHFFFAOYSA-N,2,1,0.385,54,411,467.827,2.986,5,0.347,0.61,0.925,0.7305530806661641,0.7256013981221301,0.3377167431978617,0.4470135700089096,0.5602211979987664
EOS-2-25929,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cncnc5F)ncn4)n23)cnc1Cl,JIECONYMJKYILG-UHFFFAOYSA-N,2,1,0.404,18,194,467.827,2.986,5,0.274,0.5,0.501,0.7802926461517373,0.7120228222877116,0.5784130628469605,0.5969604550750462,0.6669222465903639
EOS-2-25930,Fc1ccnc(-c2ncncc2-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1F,JMVKPCFORLOPPU-UHFFFAOYSA-N,2,1,0.413,58,779,467.827,2.986,5,0.371,0.64,0.613,0.6634997601261051,0.7256099650469467,0.37170173394558287,0.47494174491124663,0.5589383010074703
EOS-2-25931,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nn5)n4)n23)cn1,QOSRZSCTZJQNGU-UHFFFAOYSA-N,2,1,0.468,27,69,467.827,3.603,5,0.369,0.71,0.917,0.6392810636693852,0.7872918237269549,0.5352528956205881,0.5062024535672675,0.6170070591460489
EOS-2-25932,FC(F)c1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)cn1,OWMOTEOWMBEEKY-UHFFFAOYSA-N,2,1,0.436,46,113,467.827,3.603,5,0.369,0.67,0.828,0.5339164553491879,0.6153622095812488,0.5557278459324241,0.5131502295935851,0.5545391851141115
EOS-2-25933,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cc(F)n2)nc1,DFPSQVQTWFFENW-UHFFFAOYSA-N,2,1,0.5,65,263,467.827,2.986,5,0.274,0.53,0.995,0.9209529847166061,0.880182989514084,0.40128332533753686,0.44036563635117537,0.6606962339798506
EOS-2-25934,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)nn2)cn1,YMWFTRMSQLZHEI-UHFFFAOYSA-N,2,1,0.396,54,411,467.827,2.986,5,0.274,0.66,0.969,0.7273747515591803,0.7614025769309849,0.3451956685628127,0.437307244191625,0.5678200603111506
EOS-2-25935,OCc1nc(-c2cncc(Cl)n2)cc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,YPSMLPDJWFNEBX-UHFFFAOYSA-N,2,1,0.398,50,243,467.827,3.184,5,0.414,0.52,0.989,0.32823315742581044,0.44873552189705984,0.5318603933931876,0.539690562675622,0.46212990884791993
EOS-2-25936,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccc2F)cc1F,LLGHULSEIWMDHR-UHFFFAOYSA-N,2,1,0.608,57,13,467.838,5.503,5,0.319,0.73,1.0,0.9806558837639641,0.9791481049962305,0.9862243848947981,0.9889915016105819,0.9837549688163937
EOS-2-25937,Fc1ccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1F,ZEPPJVCWJAUCQL-UHFFFAOYSA-N,2,1,0.595,57,461,467.838,5.503,5,0.341,0.79,1.0,0.9686621890206292,0.9867041326845316,0.9706925502021794,0.9795764512370639,0.9764088307861011
EOS-2-25938,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)cc1F,VQMOKCHJXITWFO-UHFFFAOYSA-N,2,1,0.536,57,80,467.838,5.503,5,0.341,0.73,1.0,0.8660047289424988,0.9191367966554725,0.9742392570762799,0.9814440408470976,0.9352062058803371
EOS-2-25939,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)c(F)c2)c1,KMBRKALJYZTYTP-UHFFFAOYSA-N,2,1,0.512,57,671,467.838,5.503,5,0.341,0.79,1.0,0.9333493249263245,0.9388578575834419,0.9800733328764307,0.9868240696319649,0.9597761462545406
EOS-2-25940,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c(F)c2)cc1F,QUFDJUFYSOXBOL-UHFFFAOYSA-N,2,1,0.55,57,80,467.838,5.503,5,0.319,0.65,1.0,0.9701185662394627,0.9769035706942636,0.9850507161949147,0.9887430607908985,0.9802039784798848
EOS-2-25941,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)cnc1Cl,LFVOVEUTOIRFLJ-UHFFFAOYSA-N,2,1,0.513,83,558,467.838,5.914,5,0.3,0.81,1.0,0.7060688095401275,0.9329638133095743,0.9897796586937153,0.9918614214241656,0.9051684257418956
EOS-2-25942,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)cc1F,RMNRCVRWFUQNSA-UHFFFAOYSA-N,2,1,0.676,59,13,467.838,5.503,5,0.341,0.74,1.0,0.9666403947638955,0.9757898704680967,0.9853848262627647,0.9884517853471317,0.9790667192104722
EOS-2-25943,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)c(F)c1F,YJIOYZUSXSQOEA-UHFFFAOYSA-N,2,1,0.568,57,13,467.838,5.503,5,0.319,0.75,1.0,0.9857103694057981,0.9783599479130971,0.9828918511411144,0.9841854567884313,0.9827869063121102
EOS-2-25944,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ccn4)n23)c(F)c1,CHATTWNTQBLZFO-UHFFFAOYSA-N,2,1,0.488,59,560,467.838,5.503,5,0.341,0.82,1.0,0.8313943526831609,0.9003066959084367,0.982617709546981,0.987826399835515,0.9255362894935234
EOS-2-25945,Fc1cc(F)c(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c(F)c1,QNGNYZGJNHKDSL-UHFFFAOYSA-N,2,1,0.524,57,962,467.838,5.503,5,0.341,0.79,1.0,0.9413593996299089,0.9345058597765746,0.9763552875059969,0.9809385922829141,0.9582897847988487
EOS-2-25946,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)ccc2F)cn1,JRIAAAFAMJICEG-UHFFFAOYSA-N,2,1,0.636,57,13,467.838,5.503,5,0.319,0.71,1.0,0.9852306216160647,0.9829089849907477,0.9870725104516482,0.990070934137482,0.9863207627989856
EOS-2-25947,Fc1ccc(-c2nc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)ccc2F)cc1,VOIHWZXYWTUHEW-UHFFFAOYSA-N,2,1,0.537,57,671,467.838,5.503,5,0.341,0.79,1.0,0.85039579192653,0.9329723802343911,0.9582705092180112,0.972457336714413,0.9285240045233364
EOS-2-25948,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cc1F,PIRAVEYISKGFGM-UHFFFAOYSA-N,2,1,0.53,57,560,467.838,5.503,5,0.319,0.79,1.0,0.8999982866150367,0.9154358851346721,0.982129394832431,0.9870382427523816,0.9461504523336304
EOS-2-25949,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)cc1F,DMVUFLRRHBRBMU-UHFFFAOYSA-N,2,1,0.488,59,560,467.838,5.503,5,0.341,0.74,1.0,0.8239068603933932,0.9051812761291207,0.9829004180659311,0.9881862106778151,0.925043691316565
EOS-2-25950,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)c(F)c1,LFGXZBINKICEFL-UHFFFAOYSA-N,2,1,0.74,59,13,467.838,5.503,5,0.341,0.74,1.0,0.9763638544308135,0.9725772736618463,0.9841426221643479,0.9878349667603317,0.9802296792543348
EOS-2-25951,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cc2F)nc1,SFVZKXAMOQONBG-UHFFFAOYSA-N,2,1,0.542,57,13,467.838,5.503,5,0.341,0.76,1.0,0.9774946885066137,0.9720632581728462,0.9805787814406141,0.9859588102254815,0.9790238845863889
EOS-2-25952,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cn2)cc1Cl,DMGSKQNIOHWRGJ-UHFFFAOYSA-N,2,1,0.524,57,13,467.838,5.503,5,0.341,0.84,1.0,0.9557604002467275,0.9686279213213624,0.9841511890891645,0.9872781166472483,0.9739544068261257
EOS-2-25953,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c2)cc1F,IVYQPXBBZHPIEF-UHFFFAOYSA-N,2,1,0.488,57,560,467.838,5.503,5,0.341,0.78,1.0,0.8765848810910836,0.902645466383387,0.9826262764717977,0.9881947776026317,0.937512850387225
EOS-2-25954,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)c(F)c1,LNCDPHIMBNFASY-UHFFFAOYSA-N,2,1,0.482,57,560,467.838,5.503,5,0.341,0.71,1.0,0.8704852306216161,0.8981735316290864,0.9803389075457474,0.9870468096771983,0.934011119868412
EOS-2-25955,Fc1cc(Cl)cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nc2)c1,XPCOZLDKKRLKGR-UHFFFAOYSA-N,2,1,0.68,57,13,467.838,5.503,5,0.341,0.72,1.0,0.9260503049825235,0.9737509423617299,0.9808700568843808,0.9854276608868481,0.9665247412788706
EOS-2-25956,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)ccc1Cl,IUKZYLZOGVCERE-UHFFFAOYSA-N,2,1,0.471,57,560,467.838,5.503,5,0.341,0.77,1.0,0.895269344116236,0.8908659447604688,0.9800818998012474,0.9862586525940649,0.9381189603180042
EOS-2-25957,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)c(F)c1,RABDANJOCFBYGL-UHFFFAOYSA-N,2,1,0.628,59,13,467.838,5.503,5,0.341,0.77,1.0,0.9195223082722226,0.92469673086149,0.9826348433966143,0.9878435336851484,0.9536743540538688
EOS-2-25958,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccn2)c(F)c1,UROMPWYTTVCFBA-UHFFFAOYSA-N,2,1,0.556,57,146,467.838,5.503,5,0.341,0.75,1.0,0.9462082790761428,0.957782194503461,0.9791652388458639,0.9854362278116647,0.9671479850592831
EOS-2-25959,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cc1F,VOMOONQTGDGWIN-UHFFFAOYSA-N,2,1,0.61,59,13,467.838,5.503,5,0.341,0.76,1.0,0.9153844835857721,0.9209786854910561,0.984810842300048,0.9890000685353986,0.9525435199780686
EOS-2-25960,Fc1ccc(F)c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnc2F)c1,NQQJHJRIIZSMMB-UHFFFAOYSA-N,2,1,0.608,57,798,467.838,5.503,5,0.319,0.73,1.0,0.9868069357823316,0.9881776437529984,0.9818295524638476,0.9859673771502981,0.9856953772873689
EOS-2-25961,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cc2)cc1F,YMALECUQVFWUOD-UHFFFAOYSA-N,2,1,0.562,57,80,467.838,5.503,5,0.341,0.72,1.0,0.9518538825303269,0.9686364882461792,0.982643410321431,0.9865756288122816,0.9724273524775546
EOS-2-25962,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccc4Cl)n23)c1,ADURYSMLLVSKKK-UHFFFAOYSA-N,2,1,0.561,57,80,467.838,5.503,5,0.341,0.67,1.0,0.8314029196079775,0.9359879377698581,0.979807758207114,0.9862672195188815,0.9333664587759578
EOS-2-25963,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cc2F)cn1,ZPCNAOOJPNQKCV-UHFFFAOYSA-N,2,1,0.538,57,962,467.838,5.503,5,0.319,0.74,1.0,0.9755842642724968,0.9714121718867795,0.983183126584881,0.987517990542115,0.9794243883215681
EOS-2-25964,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)cc1F,MVKXVYZAOXEEMH-UHFFFAOYSA-N,2,1,0.676,59,13,467.838,5.503,5,0.341,0.78,1.0,0.9666489616887122,0.9763724213556302,0.9853933931875813,0.9884603522719485,0.979218782125968
EOS-2-25965,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)c(F)c5)nc4)n23)cc1F,LJKJZQHJJWTRKW-UHFFFAOYSA-N,2,1,0.618,57,13,467.838,5.503,5,0.341,0.73,1.0,0.9793622781166472,0.9808786238091974,0.9843653622095813,0.9870553766020149,0.9829154101843602
EOS-2-25966,Cc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ccc(F)c(Cl)c1,FYHZCAGYOSXEPL-UHFFFAOYSA-N,2,1,0.407,57,236,467.838,6.025,5,0.323,0.77,1.0,0.7776026317593037,0.882658830786101,0.9746333356178466,0.9792080734699472,0.9035257179082996
EOS-2-25967,Fc1ccc(COc2cncc3nnc(-c4cnc(F)c(-c5ccc(Cl)cc5)c4)n23)cc1F,YDCHIUSSYZEKNB-UHFFFAOYSA-N,2,1,0.716,57,13,467.838,5.503,5,0.319,0.75,1.0,0.9787797272291139,0.9795764512370639,0.9845966691796313,0.9887516277157151,0.9829261188403811
EOS-2-25968,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cc1F,XPBRBRUPKDTNEW-UHFFFAOYSA-N,2,1,0.676,59,13,467.838,5.503,5,0.341,0.72,1.0,0.945274484271126,0.959872524158728,0.9881005414296484,0.9917243506270988,0.9712429751216504
EOS-2-25969,Fc1cnccc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cc1,NURIBBMJYCVZFV-UHFFFAOYSA-N,2,1,0.562,57,13,467.838,5.503,5,0.319,0.79,1.0,0.9815211431704476,0.973125556850113,0.9850592831197313,0.9878521006099651,0.9818895209375642
EOS-2-25970,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)cc1F,WHZGNTUUXAGSJG-UHFFFAOYSA-N,2,1,0.573,57,80,467.838,5.503,5,0.341,0.73,1.0,0.8616441642108149,0.9329809471592078,0.9811441984785142,0.9857018024809814,0.9403677780823796
EOS-2-25971,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cc1F,XYIJPDOOSYTTHM-UHFFFAOYSA-N,2,1,0.676,59,13,467.838,5.503,5,0.341,0.74,1.0,0.9452830511959427,0.9598810910835447,0.9881091083544651,0.9917329175519156,0.971251542046467
EOS-2-25972,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)ccc2F)cn1,HNMHHFDUXSDADJ-UHFFFAOYSA-N,2,1,0.561,57,962,467.838,5.503,5,0.319,0.72,1.0,0.9759612089644302,0.977845932424097,0.9860530463984648,0.9898567610170653,0.9824292372010144
EOS-2-25973,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)c(Cl)c1,FDTCASHIRJINKN-UHFFFAOYSA-N,2,1,0.542,59,13,467.838,5.503,5,0.341,0.73,1.0,0.8746059214584333,0.9518624494551435,0.986952573504215,0.9915187444314989,0.9512349222123226
EOS-2-25974,FC(F)(F)c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)nc1,ULIVIWJUAXYXBJ-UHFFFAOYSA-N,2,1,0.603,57,528,467.838,6.318,5,0.309,0.82,1.0,0.9512027962442602,0.9752758549790967,0.9949369474333494,0.9940459872524159,0.9788653964772804
EOS-2-25975,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)nc2)cc1F,YNEJOLYBAIXLEX-UHFFFAOYSA-N,2,1,0.488,57,13,467.838,5.503,5,0.341,0.76,1.0,0.9064834487012542,0.9416849427729422,0.9826519772462476,0.9875265574669316,0.9545867315468439
EOS-2-25976,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)c(F)c1,XLWZJOWDSHIYKF-UHFFFAOYSA-N,2,1,0.59,57,13,467.838,5.503,5,0.341,0.68,1.0,0.9718233842779795,0.9707610856007127,0.9831916935096977,0.9878606675347817,0.9784092077307929
EOS-2-25977,Fc1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cn4)n23)c1,DENXVJRRIFDTKL-UHFFFAOYSA-N,2,1,0.488,57,13,467.838,5.503,5,0.341,0.77,1.0,0.9221095195668563,0.9359965046946748,0.982386402576931,0.9882033445274484,0.9571739428414776
EOS-2-25978,Fc1cc(-c2cc(COc3cncc4nnc(-c5cccc(Cl)c5F)n34)ccc2F)ccn1,BUZXCZSDDLAHIC-UHFFFAOYSA-N,2,1,0.536,57,13,467.838,5.503,5,0.319,0.75,1.0,0.9153930505105887,0.9551093139606607,0.985067850044548,0.9878692344595984,0.9608598622438489
EOS-2-25979,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5F)n34)nc2Cl)c(F)c1,FHUIQUIDEJXQPH-UHFFFAOYSA-N,2,1,0.471,57,146,467.838,5.503,5,0.319,0.76,1.0,0.9195308751970392,0.937410047289425,0.9729285175793297,0.9814526077719142,0.952830511959427
EOS-2-25980,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)cc1F,JLFFJLUTWIIQDC-UHFFFAOYSA-N,2,1,0.712,59,13,467.838,5.503,5,0.341,0.76,1.0,0.9793708450414639,0.9714207388115962,0.9862329518196148,0.9892399424302653,0.981566119525735
EOS-2-25981,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)c(F)c4)n23)c(F)c1,VTYNSVPMZVBHKM-UHFFFAOYSA-N,2,1,0.549,57,929,467.838,5.503,5,0.341,0.75,1.0,0.9540984168322939,0.9598896580083613,0.9732883284216298,0.9820351586594476,0.9673278904804331
EOS-2-25982,Fc1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1-c1cccnc1F,CRRQPQCMXKNOMF-UHFFFAOYSA-N,2,1,0.541,57,13,467.838,5.503,5,0.319,0.81,0.999,0.9820694263587143,0.977357617709547,0.984605236104448,0.987286683572065,0.9828297409361935
EOS-2-25983,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)cc5)ccc4F)n23)c(F)c1,JMCWWUNHAJJTGG-UHFFFAOYSA-N,2,1,0.549,57,461,467.838,5.503,5,0.341,0.77,1.0,0.9235487629360565,0.9639161126721952,0.9641988211911452,0.9761668151600301,0.9569576279898568
EOS-2-25984,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)cc1F,ZSGPXOHFCCORTK-UHFFFAOYSA-N,2,1,0.524,59,13,467.838,5.503,5,0.341,0.72,1.0,0.9195394421218559,0.9454886573915428,0.9850764169693647,0.9900795010622987,0.9600460043862655
EOS-2-25985,Fc1cnc(-c2ccc(F)c(F)c2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,HBSKFXJAVHZUNL-UHFFFAOYSA-N,2,1,0.671,57,13,467.838,5.503,5,0.341,0.72,1.0,0.9918442875745322,0.9909361935439654,0.9754043588513467,0.982617709546981,0.9852006373792064
EOS-2-25986,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2)cc1F,HVPHJZYMBUQPGR-UHFFFAOYSA-N,2,1,0.537,57,80,467.838,5.503,5,0.341,0.72,1.0,0.9557689671715441,0.9664776231923788,0.9763638544308135,0.9820437255842642,0.9701635425947502
EOS-2-25987,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)cc4)n23)cc1Cl,GEBDWHZPXQWSPQ-UHFFFAOYSA-N,2,1,0.726,57,13,467.838,5.503,5,0.319,0.77,1.0,0.9914416421081489,0.9867126996093483,0.9818381193886643,0.9831659927352477,0.9857896134603523
EOS-2-25988,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)cc1F,FXAJNOADFJJHJB-UHFFFAOYSA-N,2,1,0.595,57,80,467.838,5.503,5,0.341,0.68,1.0,0.9452916181207593,0.9693132753066959,0.9811527654033309,0.9859759440751148,0.9704334007264752
EOS-2-25989,Fc1ccc(-c2ncc(F)cc2COc2cncc3nnc(-c4c(F)cccc4Cl)n23)cc1,VXUAJFYAKFPEPH-UHFFFAOYSA-N,2,1,0.57,57,671,467.838,5.503,5,0.341,0.77,1.0,0.9487355218970598,0.9539870468096772,0.9633849633335618,0.9761753820848468,0.9605707285312864
EOS-2-25990,Fc1ccc(-c2ccc(F)c(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1F,HFRABPOOZWDZJO-UHFFFAOYSA-N,2,1,0.537,57,13,467.838,5.503,5,0.319,0.75,1.0,0.9613460352271949,0.9632650263861284,0.9850849838941813,0.9887601946405319,0.9746140600370091
EOS-2-25991,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5OC(F)F)n34)cc2)n1,RABVBDPRYGNDOL-UHFFFAOYSA-N,2,1,0.387,83,558,467.838,5.914,5,0.3,0.56,1.0,0.6757847303132067,0.9026540333082037,0.9834487012541978,0.9862757864436982,0.8870408128298266
EOS-2-25992,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1noc(C)n1,SJPUDGBYBCYGOR-UHFFFAOYSA-N,2,1,0.553,49,896,467.848,3.925,5,0.366,0.72,0.998,0.7244020286477966,0.663062846960455,0.4302052635186074,0.3962031389212528,0.553468319512028
EOS-2-25993,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)o1,BQBDBHNZMGDMDH-UHFFFAOYSA-N,2,1,0.523,84,749,467.848,3.659,5,0.353,0.71,0.995,0.8134295113426084,0.7873003906517716,0.41545301898430537,0.41828867109862244,0.608617898019327
EOS-2-25994,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)ccc1-c1ncon1,UGWJFYPJGKBBQM-UHFFFAOYSA-N,2,1,0.516,15,467,467.848,3.659,5,0.353,0.67,1.0,0.8388475772736619,0.7072767459392776,0.5687924062778426,0.5062110204920841,0.6552819374957165
EOS-2-25995,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cc2O)no1,TZHUSYCQGOUPRN-UHFFFAOYSA-N,2,1,0.484,37,563,467.848,3.664,5,0.372,0.63,0.999,0.8134380782674251,0.7661657871290521,0.40830820368720444,0.3962117058460695,0.5960309437324378
EOS-2-25996,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(F)cc1-c1nc(C)no1,AFCBQQOEHASXQT-UHFFFAOYSA-N,2,1,0.441,16,772,467.848,3.925,5,0.366,0.62,1.0,0.7334058666301144,0.5961979987663628,0.5587262696182578,0.4869611404290316,0.5938228188609417
EOS-2-25997,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cocn1,JNDDHVFEZFJRIU-UHFFFAOYSA-N,2,1,0.427,49,501,467.848,3.659,5,0.331,0.61,0.999,0.7831968336645878,0.5815571242546775,0.4662805839215955,0.4053954492495374,0.5591074977725996
EOS-2-25998,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)cc1-c1ncco1,UUEQTCXNNXMKSV-UHFFFAOYSA-N,2,1,0.442,49,578,467.848,3.659,5,0.331,0.63,0.996,0.7027619765608937,0.4836885751490645,0.33772531012267837,0.31662497429922554,0.4602002090329655
EOS-2-25999,COc1nc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)ccc1-c1ncon1,NBOGBCKBAUEEFL-UHFFFAOYSA-N,2,1,0.5,49,896,467.848,3.659,5,0.353,0.59,1.0,0.7660886848057021,0.5574155301213076,0.4377612912069084,0.43106195600027414,0.5480818655335481
EOS-2-26000,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1n[nH]c(=O)n1C,JQVRISBVRNSXGF-UHFFFAOYSA-N,2,1,0.588,13,209,467.848,3.474,5,0.421,0.77,1.0,0.7213179357137962,0.6432989514084024,0.5848125556850113,0.5818826673977109,0.6328280275512301
EOS-2-26001,COc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1ncon1,LLSQOZDGRBXKIZ-UHFFFAOYSA-N,2,1,0.526,35,604,467.848,3.659,5,0.331,0.6,1.0,0.9033136865190871,0.7349736138715647,0.5943389760811459,0.5196011239805359,0.6880568501130834
EOS-2-26002,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1-c1ncon1,AYBHLVQPYRSRHE-UHFFFAOYSA-N,2,1,0.595,49,896,467.848,3.659,5,0.353,0.6,1.0,0.8239154273182099,0.5962065656911795,0.4763724213556302,0.44997772599547664,0.586618035090124
EOS-2-26003,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4F)n23)ccc1-c1nnc(C)o1,XKXXLMUZXXFGMD-UHFFFAOYSA-N,2,1,0.452,72,224,467.848,3.925,5,0.343,0.68,0.999,0.794488040572956,0.6728377081762731,0.5879480501679117,0.4842368583373312,0.634877664313618
EOS-2-26004,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1-c1ncon1,BCRVJCUPYRLJKN-UHFFFAOYSA-N,2,1,0.463,49,896,467.848,3.659,5,0.353,0.58,1.0,0.7660972517305188,0.6104190939620314,0.44856418340072646,0.4435525323829758,0.5671582653690631
EOS-2-26005,COCc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(F)c2)o1,LTDBYRDRZJCIMF-UHFFFAOYSA-N,2,1,0.452,16,772,467.848,3.754,5,0.353,0.69,1.0,0.6757932972380234,0.6876756219587417,0.5185559591529024,0.5228479884860531,0.6012182167089302
EOS-2-26006,Cn1c(O)cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)c1=O,PPLUMESGOKSSMI-UHFFFAOYSA-N,2,1,0.5,16,10,467.848,2.753,5,0.423,0.52,0.925,0.4265728873963402,0.4929922554999657,0.497164347885683,0.5131587965184018,0.48247207182509766
EOS-2-26007,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cnco1,JYPXJGNJSPIRCC-UHFFFAOYSA-N,2,1,0.439,49,773,467.848,3.659,5,0.331,0.62,1.0,0.7776111986841203,0.5525923514495237,0.4937461448838325,0.4280720992392571,0.5630054485641834
EOS-2-26008,COc1cc(-c2nnc3cncc(OCc4ncc(-c5nnc(C)o5)cc4F)n23)ccc1Cl,MLLUBHMUOLWEPM-UHFFFAOYSA-N,2,1,0.478,4,67,467.848,3.925,5,0.366,0.74,1.0,0.7244105955726132,0.7831796998149544,0.5318689603180042,0.47495031183606334,0.6286023918854089
EOS-2-26009,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1noc(C)n1,CUGXQXXHAJVVEF-UHFFFAOYSA-N,2,1,0.473,16,526,467.848,3.925,5,0.366,0.76,1.0,0.6997978205743266,0.6339267356589678,0.4732026591734631,0.40883935302583785,0.5539416421081489
EOS-2-26010,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5nn(F)cc5Cl)n34)cn2)ccc1=O,MKSXNAMDHFFGHS-UHFFFAOYSA-N,2,1,0.455,58,779,467.852,2.151,5,0.373,0.63,0.999,0.4446662326091426,0.4532160235761771,0.14543211568775272,0.1972277431293263,0.3101355287505997
EOS-2-26011,COc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n(C)n2)n1,YUJRAPRNQFRGGX-UHFFFAOYSA-N,2,1,0.484,73,446,467.852,2.757,5,0.371,0.64,0.999,0.5339250222740045,0.7120313892125283,0.13036289493523404,0.1781149338633404,0.3886085600712768
EOS-2-26012,COc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2F)nn1C,JIKPLXGLXXSKRM-UHFFFAOYSA-N,2,1,0.473,36,610,467.852,2.757,5,0.371,0.61,1.0,0.4660150092522788,0.52501542046467,0.17391714070317318,0.17265780275512302,0.33440134329381127
EOS-2-26013,COc1cc(-c2nnc3cncc(OCc4nc(-c5cc(F)cnn5)nn4C)n23)ccc1Cl,KSYUAQPWGCKACO-UHFFFAOYSA-N,2,1,0.436,36,404,467.852,2.757,5,0.371,0.72,0.937,0.5879737509423617,0.7120399561373449,0.17392570762798987,0.22343396614351313,0.4243433452128024
EOS-2-26014,COc1cnccc1COc1cncc2nnc(-c3nc(Cl)c(-c4ncnn4C)cc3F)n12,IHGVJVBLXIUYCA-UHFFFAOYSA-N,2,1,0.364,31,62,467.852,2.757,5,0.347,0.55,0.684,0.4379411966280584,0.43110479062435747,0.24282948392844905,0.22647522445343019,0.3345876739085738
EOS-2-26015,COc1cc(-c2nnc3cncc(OCc4nc(-c5ncc(F)cn5)nn4C)n23)ccc1Cl,LSORGEGGLQJAAF-UHFFFAOYSA-N,2,1,0.456,73,82,467.852,2.757,5,0.371,0.68,0.986,0.6419882119114523,0.7209923925707628,0.11919162497429922,0.1592762661914879,0.41036212391200055
EOS-2-26016,CCc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc2F)no1,QYDQPEYUTYLQMR-UHFFFAOYSA-N,2,1,0.386,31,602,467.852,3.003,5,0.329,0.61,0.978,0.5909379069289288,0.5868429168665615,0.05047632101980673,0.08390446165444453,0.32804040161743536
EOS-2-26017,COCn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nc2)n1,PNEXYXJEXUCGRX-UHFFFAOYSA-N,2,1,0.478,51,946,467.852,2.815,5,0.356,0.65,1.0,0.5967377150298129,0.6876841888835583,0.30477691727777395,0.332268179014461,0.48036675005140156
EOS-2-26018,CCN=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cn2)o1,YSJXEPQULGSGAG-UHFFFAOYSA-N,2,1,0.406,55,526,467.852,2.857,5,0.403,0.38,0.983,0.42890309094647383,0.40368206428620385,0.19684223151257624,0.20019189911589336,0.3074048214652868
EOS-2-26019,Cn1nncc1-c1cnnc(-c2nnc3cncc(OCCc4ncc(CF)nc4Cl)n23)c1,FPNSTJYGKXGKME-UHFFFAOYSA-N,2,1,0.375,31,466,467.856,1.911,5,0.349,0.57,0.927,0.34272839421561235,0.29706668494277294,0.03921938181070523,0.06925502021794257,0.1870673702967583
EOS-2-26020,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)nc1F,CMYISIKSQYKJQE-UHFFFAOYSA-N,2,1,0.454,84,442,467.867,4.14,5,0.349,0.66,1.0,0.760031868960318,0.7443629634706326,0.8066445068878075,0.8158882187649921,0.7817318895209375
EOS-2-26021,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1-c1cncc(F)c1,MNXVRQHNWOREJX-UHFFFAOYSA-N,2,1,0.588,95,381,467.867,4.14,5,0.373,0.71,1.0,0.6304485641834007,0.5250239873894866,0.7963898978822562,0.8275392365156603,0.6948504214927009
EOS-2-26022,Cc1nn(C)c(-c2cccnc2)c1-c1cncc2nnc(-c3ccc(OC(F)F)cc3Cl)n12,MWJCZNMDGOGFQK-UHFFFAOYSA-N,2,1,0.415,96,121,467.867,4.817,5,0.368,0.67,1.0,0.26251627715715165,0.5294959221437873,0.8088205057912412,0.8237526557466932,0.6061463402097184
EOS-2-26023,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c(F)c2)n[nH]1,ZBGQWVOHSLLGJO-UHFFFAOYSA-N,2,1,0.667,88,781,467.867,4.438,5,0.397,0.67,1.0,0.9696987869234459,0.9454972243163594,0.8201374134740593,0.8256202453567267,0.8902384175176479
EOS-2-26024,Cc1nn(C(F)F)cc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)nc4)c3)n12,ZXZASAWWEYNYOC-UHFFFAOYSA-N,2,1,0.462,16,55,467.867,4.986,5,0.327,0.69,1.0,0.4059180316633541,0.5620502364471249,0.8474744705640463,0.8113220478377082,0.6566911966280584
EOS-2-26025,Cc1ncc(-c2ncc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cc2F)n1C,ZYYPRBXFWPIUPL-UHFFFAOYSA-N,2,1,0.467,59,910,467.867,4.406,5,0.381,0.71,1.0,0.7027705434857103,0.6924988006305257,0.7699523678980194,0.7706291549585361,0.7339627167431979
EOS-2-26026,FCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cn1,ZVOWUJNGZRQWRR-UHFFFAOYSA-N,2,1,0.595,59,294,467.867,4.391,5,0.353,0.76,1.0,0.6664896168871222,0.6630714138852717,0.7724025083955863,0.782365841957371,0.7210823452813377
EOS-2-26027,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4Cl)n23)c1,MLXCQLGBYXSIHK-UHFFFAOYSA-N,2,1,0.576,88,70,467.867,4.14,5,0.349,0.64,1.0,0.6935525323829758,0.7303389075457474,0.7837622507024878,0.802737989171407,0.7525979199506545
EOS-2-26028,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)c1F,BXETYQOBRGWKET-UHFFFAOYSA-N,2,1,0.528,26,626,467.867,4.14,5,0.349,0.62,1.0,0.8410064423274621,0.8233585772051264,0.8615927626619149,0.8454012747584128,0.842839764238229
EOS-2-26029,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)nc2F)n1,GPBJEUSZSYJASP-UHFFFAOYSA-N,2,1,0.494,19,442,467.867,4.14,5,0.349,0.65,1.0,0.6635083270509218,0.6484648070728531,0.7629360564731684,0.7777654033308203,0.713168648481941
EOS-2-26030,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cn1,GTPFFQFWJDNWKS-UHFFFAOYSA-N,2,1,0.477,59,772,467.867,4.406,5,0.356,0.7,1.0,0.5820111712699609,0.6484733739976698,0.8240010965663765,0.8027465560962237,0.7143080494825578
EOS-2-26031,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cn1,NSMYORAKKFORIR-UHFFFAOYSA-N,2,1,0.452,59,109,467.867,4.58,5,0.34,0.69,1.0,0.7362843533685148,0.702547803440477,0.8364488383249948,0.8217479953395929,0.7742572476183948
EOS-2-26032,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)cn2)cn1,QHLDAJARWANPEI-UHFFFAOYSA-N,2,1,0.467,59,468,467.867,4.58,5,0.34,0.71,1.0,0.5312864094304708,0.6153707765060654,0.8345812487149613,0.8197005003084092,0.7002347337399767
EOS-2-26033,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccc(F)c(F)c1,HBTMMCHZQCYFJJ-UHFFFAOYSA-N,2,1,0.473,95,266,467.867,4.14,5,0.373,0.7,0.996,0.5820197381947776,0.5481546843944898,0.7343396614351313,0.7823744088821877,0.6617221232266466
EOS-2-26034,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nc(Cl)ccc4F)n23)ccc1F,YJOGEUVZYXXQRN-UHFFFAOYSA-N,2,1,0.489,26,125,467.867,4.14,5,0.349,0.68,1.0,0.8879960249468851,0.8511753820848468,0.7793502844219039,0.7962699609348228,0.8286979130971147
EOS-2-26035,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)nn1,DLAAHHJJHGCKOM-UHFFFAOYSA-N,2,1,0.695,91,660,467.867,4.72,5,0.344,0.69,1.0,0.7118000822424783,0.8511839490096635,0.8540538688232472,0.847226029744363,0.816065982454938
EOS-2-26036,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5c(F)ccc(F)c5Cl)n34)c2)cn1,MOOUWHIBDSARBL-UHFFFAOYSA-N,2,1,0.511,84,884,467.867,4.14,5,0.349,0.73,1.0,0.6247858268795833,0.6242461106161332,0.8793005962579672,0.870690836817216,0.749755842642725
EOS-2-26037,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccc(F)c(F)c1,LLMSDRIMAFCJAJ-UHFFFAOYSA-N,2,1,0.5,95,998,467.867,4.14,5,0.373,0.72,0.999,0.5909464738537454,0.5250325543143033,0.7793588513467206,0.819709067233226,0.6787617366869988
EOS-2-26038,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)ccc(Cl)c5F)n34)cn2)c1,HBWGWRCEKHTDBN-UHFFFAOYSA-N,2,1,0.538,84,276,467.867,4.14,5,0.349,0.61,1.0,0.8786323761222672,0.8959118634774861,0.8182783907888425,0.8091974504831746,0.8505050202179425
EOS-2-26039,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,FFWYTFDWEQPSBB-UHFFFAOYSA-N,2,1,0.705,88,781,467.867,4.14,5,0.373,0.7,1.0,0.9125830991707217,0.9154444520594888,0.863057706805565,0.8737663628263999,0.8912129052155439
EOS-2-26040,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1F,QUVGHCMACFGKAQ-UHFFFAOYSA-N,2,1,0.517,37,639,467.867,4.14,5,0.349,0.67,1.0,0.8028921938181071,0.7997052977863066,0.7941110958810226,0.7962785278596395,0.7982467788362689
EOS-2-26041,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(F)c1,RNXGBQGHMQOMOV-UHFFFAOYSA-N,2,1,0.662,88,781,467.867,4.14,5,0.373,0.69,1.0,0.8726440956754163,0.8959204304023027,0.8584315674045645,0.8690802549516825,0.8740190871084916
EOS-2-26042,FC(F)n1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,PBHUCBGJZLHXFR-UHFFFAOYSA-N,2,1,0.556,15,922,467.867,4.72,5,0.344,0.7,1.0,0.9395774792680419,0.8692001918991159,0.8806884380782675,0.8592968268110479,0.8871907340141183
EOS-2-26043,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1F,ORXFKZJORZEVQW-UHFFFAOYSA-N,2,1,0.495,26,125,467.867,4.14,5,0.349,0.66,0.999,0.8786409430470838,0.8411863477486121,0.813052566650675,0.8113306147625249,0.836052618052224
EOS-2-26044,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c(F)c1,VMPYYNNERAQEMN-UHFFFAOYSA-N,2,1,0.585,88,803,467.867,4.14,5,0.373,0.77,1.0,0.8363460352271949,0.8634860530463985,0.7768830100747036,0.8113391816873415,0.8220135700089096
EOS-2-26045,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2F)cn1,VZQIZADNTGPJEH-UHFFFAOYSA-N,2,1,0.558,37,919,467.867,4.14,5,0.349,0.63,1.0,0.8056250428346241,0.8271537248989103,0.8659104927695155,0.8541395380714139,0.838207199643616
EOS-2-26046,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cc(F)cc4Cl)n23)cc1,APMOMQJRNUWENZ-UHFFFAOYSA-N,2,1,0.618,91,803,467.867,4.14,5,0.373,0.71,1.0,0.8616527311356316,0.8194092248646426,0.7860324857789048,0.7985059283119731,0.816400092522788
EOS-2-26047,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)cc1F,ANQSBRRJQBCTLU-UHFFFAOYSA-N,2,1,0.588,37,669,467.867,4.14,5,0.349,0.63,1.0,0.8388561441984785,0.8606675347817148,0.8008961003358235,0.7962870947844561,0.8241767185251183
EOS-2-26048,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1F,XLCIVPFBWWGPCV-UHFFFAOYSA-N,2,1,0.534,26,125,467.867,4.14,5,0.349,0.66,1.0,0.9000068535398533,0.837682475498595,0.856975190185731,0.8472345966691797,0.8604747789733397
EOS-2-26049,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)nc1F,QWLACOSFWKPLKT-UHFFFAOYSA-N,2,1,0.484,84,442,467.867,4.14,5,0.349,0.69,1.0,0.7485521897059831,0.730347474470564,0.8066530738126242,0.8158967856898088,0.7753623809197451
EOS-2-26050,Cn1ncc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)c1-c1cc(F)ccn1,AAEXUBWARXUOER-UHFFFAOYSA-N,2,1,0.552,84,672,467.867,4.14,5,0.373,0.65,1.0,0.6137002261668152,0.5815656911794942,0.7316325131930642,0.80064765951614,0.6818865225138784
EOS-2-26051,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)nc2F)n1,HMOOZSCJOLWHTI-UHFFFAOYSA-N,2,1,0.489,19,442,467.867,4.14,5,0.349,0.66,1.0,0.6696251113700226,0.6876927558083751,0.7745613734493866,0.7823829758070043,0.728565554108697
EOS-2-26052,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccc(Cl)cc1F,HQKSEWAXFOOADV-UHFFFAOYSA-N,2,1,0.533,95,998,467.867,4.14,5,0.349,0.68,1.0,0.6304571311082174,0.6484819409224865,0.7581728462751011,0.7962956617092728,0.7083518950037695
EOS-2-26053,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1-c1ccc(F)nc1,AUWZNNDGCCCFNY-UHFFFAOYSA-N,2,1,0.469,95,998,467.867,4.14,5,0.349,0.66,1.0,0.5710369405798095,0.5815742581043108,0.7837708176273045,0.8177643752998424,0.6885365979028167
EOS-2-26054,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1-c1ccc(F)nc1,OEQKCMQZIHOWRV-UHFFFAOYSA-N,2,1,0.469,95,998,467.867,4.14,5,0.349,0.62,1.0,0.5737183880474265,0.5763227331916935,0.7837793845521211,0.8159053526146255,0.6874314646014666
EOS-2-26055,Cn1nc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1-c1cncc(F)c1,QESOEVWQUAUTRG-UHFFFAOYSA-N,2,1,0.489,95,998,467.867,4.14,5,0.373,0.72,0.997,0.5415838530601056,0.4882890137756151,0.7516876841888835,0.8069700500308409,0.6471326502638612
EOS-2-26056,Cn1ncc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c1-c1ccc(F)cc1,YRWCHXFZZGVECR-UHFFFAOYSA-N,2,1,0.565,37,919,467.867,4.14,5,0.349,0.64,1.0,0.6362312384346515,0.6679802618052224,0.7538722500171339,0.7963042286340896,0.7135969947227744
EOS-2-26057,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccc(F)c(F)c1,VPFCZPZYIUVVNW-UHFFFAOYSA-N,2,1,0.522,95,998,467.867,4.14,5,0.349,0.72,1.0,0.6247943938043999,0.5574240970461243,0.7920550339250223,0.8197176341580427,0.6984977897333973
EOS-2-26058,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)cn1,VYISIJSTEHYFDP-UHFFFAOYSA-N,2,1,0.631,84,73,467.867,4.72,5,0.344,0.74,1.0,0.6109502433006648,0.7661743540538688,0.8687632787334658,0.8507042012199301,0.7741480193269823
EOS-2-26059,CCn1cc(-c2ncc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)cc2F)cn1,MVPQHMORUARTJJ-UHFFFAOYSA-N,2,1,0.462,59,772,467.867,4.58,5,0.363,0.77,1.0,0.4807415530121308,0.5868514837913782,0.8009046672606401,0.8197262010828593,0.6720559762867521
EOS-2-26060,Cn1nncc1-c1cc(CCOc2cncc3nnc(-c4cc(F)cc(Cl)c4)n23)ccc1F,ULSSWTLIKSQQAR-UHFFFAOYSA-N,2,1,0.684,88,70,467.867,4.14,5,0.373,0.63,1.0,0.6539733397299705,0.7487320951271331,0.837913782468645,0.8609245425262148,0.7753859399629909
EOS-2-26061,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1-c1cncc(F)c1,LYXWOEIOQUVHTH-UHFFFAOYSA-N,2,1,0.473,95,998,467.867,4.14,5,0.373,0.7,0.998,0.5441710643547393,0.5109570968405182,0.7768915769995203,0.8237612226715099,0.6639452402165719
EOS-2-26062,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)c(F)cn5)n34)cc2F)n1,RTLVIYXLWQPCDL-UHFFFAOYSA-N,2,1,0.517,37,563,467.867,4.14,5,0.373,0.68,1.0,0.7916523884586388,0.8078438763621411,0.8130611335754917,0.8113477486121582,0.8059762867521074
EOS-2-26063,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cn1,AKWVWYOPSKRPHC-UHFFFAOYSA-N,2,1,0.566,15,519,467.867,4.72,5,0.322,0.71,1.0,0.7334144335549311,0.8411949146734288,0.8889298197519019,0.8541481049962305,0.8294218182441231
EOS-2-26064,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)ccc2F)cn1,CPWWKBRMNTWXLT-UHFFFAOYSA-N,2,1,0.506,37,394,467.867,4.14,5,0.349,0.69,1.0,0.7803012130765541,0.8194177917894593,0.8276163388390103,0.8256288122815434,0.8132410389966418
EOS-2-26065,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccc(Cl)c(F)c1,ZUHRFYCLFRTHKH-UHFFFAOYSA-N,2,1,0.5,95,998,467.867,4.14,5,0.373,0.68,1.0,0.5850695634295113,0.5432201357000891,0.8009132341854568,0.827547803440477,0.6891876841888835
EOS-2-26066,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)nc2F)n1,DJNWNSSPAQYWMP-UHFFFAOYSA-N,2,1,0.489,19,442,467.867,4.14,5,0.349,0.68,1.0,0.6635168939757384,0.6877013227331917,0.7745699403742032,0.7869491467342883,0.7281843259543553
EOS-2-26067,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)c(F)c2)n1C,MUJUXEVLQKEUGG-UHFFFAOYSA-N,2,1,0.518,34,607,467.867,4.406,5,0.381,0.7,1.0,0.6966194914673429,0.8307775340963608,0.70063737920636,0.7579672400795011,0.7465004112123912
EOS-2-26068,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)nc2F)n1,JDKHUENPKOFIDX-UHFFFAOYSA-N,2,1,0.458,19,442,467.867,4.14,5,0.349,0.66,1.0,0.6847800013707079,0.7025563703652937,0.772411075320403,0.7893907203070386,0.7372845418408608
EOS-2-26069,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cc1-c1cncc(F)c1,MDZWTWGYWDTSEM-UHFFFAOYSA-N,2,1,0.505,95,998,467.867,4.14,5,0.373,0.73,1.0,0.5519412651634569,0.4930008224247824,0.7793674182715372,0.8217565622644095,0.6615165170310464
EOS-2-26070,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1-c1cncc(Cl)c1,MWCIDYHOCQCRBI-UHFFFAOYSA-N,2,1,0.588,95,381,467.867,4.14,5,0.373,0.66,1.0,0.6304656980330341,0.5295044890686039,0.7987629360564732,0.8275563703652937,0.6965723733808513
EOS-2-26071,CCn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)ccc1F,BZIKVKAVQVMVDD-UHFFFAOYSA-N,2,1,0.548,34,146,467.867,4.58,5,0.363,0.7,1.0,0.8134466451922417,0.9051898430539373,0.7860410527037215,0.82563737920636,0.8325787300390651
EOS-2-26072,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cc2F)n[nH]1,VBMJAXUMCYAQDY-UHFFFAOYSA-N,2,1,0.551,88,70,467.867,4.438,5,0.397,0.72,1.0,0.9487440888218766,0.9401257624563086,0.8028579261188403,0.8237697895963265,0.878874391748338
EOS-2-26073,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)nc2F)n1,VKUADZHWFLZHNO-UHFFFAOYSA-N,2,1,0.473,19,442,467.867,4.14,5,0.349,0.66,1.0,0.6788345555479405,0.6877098896580084,0.746933040915633,0.7706377218833528,0.7210288020012336
EOS-2-26074,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5c(F)ccc(Cl)c5F)n34)c2)cn1,NFPZBAOMSLAHMS-UHFFFAOYSA-N,2,1,0.457,84,503,467.867,4.14,5,0.349,0.55,1.0,0.559677198272908,0.5203635802892194,0.8492906586251799,0.8417089301624289,0.692760091837434
EOS-2-26075,Cc1nn(C)cc1-c1nc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)ccc1F,BDAHPXIWJFLQIE-UHFFFAOYSA-N,2,1,0.506,34,877,467.867,4.406,5,0.381,0.71,1.0,0.440219998629292,0.557432663970941,0.6791600986909739,0.7045952984716606,0.5953520149407169
EOS-2-26076,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)ccc2F)cn1,JVPAVYDJOZJARM-UHFFFAOYSA-N,2,1,0.553,37,394,467.867,4.14,5,0.349,0.64,1.0,0.8388647111232952,0.8376910424234117,0.8687718456582825,0.8593053937358646,0.8511582482352134
EOS-2-26077,FCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1F,VWZSSUJKRPWYCO-UHFFFAOYSA-N,2,1,0.48,26,639,467.867,4.391,5,0.33,0.67,1.0,0.8239239942430265,0.7614111438558016,0.7581814131999177,0.777773970255637,0.7803226303885957
EOS-2-26078,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cc(F)c(Cl)c(F)c4)n23)c1,OXDMKYSXOUTIGC-UHFFFAOYSA-N,2,1,0.494,18,308,467.867,4.14,5,0.349,0.62,1.0,0.6847885682955246,0.4978411349461997,0.8616013295867315,0.8435679528476459,0.7219497464190254
EOS-2-26079,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccc(F)cc1F,LZVKQLPGWGIDBF-UHFFFAOYSA-N,2,1,0.463,95,562,467.867,4.14,5,0.373,0.68,0.969,0.5570043177301076,0.5620588033719416,0.7107035158659447,0.7802840792269207,0.6525126790487287
EOS-2-26080,FC(F)n1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)nc1,XYEARBBUOLRCOA-UHFFFAOYSA-N,2,1,0.57,84,1,467.867,4.72,5,0.344,0.73,0.999,0.7632530326913851,0.7165118908916456,0.892536495099719,0.8791549585360839,0.8128640943047085
EOS-2-26081,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1F,PEOOZZVYZQCOJB-UHFFFAOYSA-N,2,1,0.565,88,70,467.867,4.14,5,0.373,0.67,1.0,0.8363546021520115,0.9003152628332534,0.8510211774381468,0.8749571653759166,0.865662051949832
EOS-2-26082,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1F,BGAZALIJRHOTKC-UHFFFAOYSA-N,2,1,0.571,88,70,467.867,4.14,5,0.373,0.69,1.0,0.8616612980604482,0.8908745116852854,0.8313172503598109,0.8625008566924817,0.8615884791995065
EOS-2-26083,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)ccc2F)cn1,LSVUTXLUNXYOIC-UHFFFAOYSA-N,2,1,0.547,37,394,467.867,4.14,5,0.349,0.71,1.0,0.8569066547871976,0.8542509080940306,0.8510297443629635,0.8525974916044137,0.8536961997121513
EOS-2-26084,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1F,QBEOIDDLUFSUIM-UHFFFAOYSA-N,2,1,0.576,88,70,467.867,4.14,5,0.373,0.67,1.0,0.9343859228291412,0.9518710163799603,0.8110564731683915,0.8397556713042287,0.8842672709204304
EOS-2-26085,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cc1-c1ccc(Cl)c(F)c1,XQLPDQYBZLSSCT-UHFFFAOYSA-N,2,1,0.473,95,266,467.867,4.14,5,0.373,0.65,0.996,0.5879823178671784,0.5763313001165101,0.734348228359948,0.7802926461517373,0.6697386231238435
EOS-2-26086,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)nc1F,KEDWNNVOWGQLCV-UHFFFAOYSA-N,2,1,0.454,84,442,467.867,4.14,5,0.349,0.64,1.0,0.7600404358851347,0.7443715303954492,0.8066616407374408,0.817772942224659,0.7822116373106709
EOS-2-26087,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cc(F)ccc1Cl,STKHBQAUSOIAQG-UHFFFAOYSA-N,2,1,0.448,95,562,467.867,4.14,5,0.373,0.61,0.937,0.5441796312795559,0.4882975807004318,0.7107120827907615,0.782391542731821,0.6313952093756425
EOS-2-26088,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccc(Cl)c(F)c1,NIJIWFTWDOWEMN-UHFFFAOYSA-N,2,1,0.463,95,562,467.867,4.14,5,0.373,0.65,0.975,0.5967462819546295,0.5574412308957577,0.7367726680830649,0.7893992872318553,0.6700898670413269
EOS-2-26089,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)c(F)c5)n34)cn2)c1,AJPRGQIYIFWYJM-UHFFFAOYSA-N,2,1,0.612,84,360,467.867,4.14,5,0.349,0.67,1.0,0.930059625796724,0.8881245288191351,0.8459324240970462,0.8237783565211432,0.8719737338085121
EOS-2-26090,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cn2)cnc1Cl,QDHOCBXWHSWTNZ-UHFFFAOYSA-N,2,1,0.539,84,73,467.867,4.14,5,0.373,0.62,1.0,0.854807758207114,0.8412034815982455,0.7877887053663217,0.7894078541566719,0.8183019498320883
EOS-2-26091,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nc1F,KLFVYGDBDSEDOF-UHFFFAOYSA-N,2,1,0.581,84,308,467.867,4.14,5,0.349,0.65,1.0,0.8843722157494346,0.7661829209786855,0.8240096634911932,0.819734768007676,0.8235748920567474
EOS-2-26092,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5F)n34)cn2)cn1,ZFGGRWJALGUWAX-UHFFFAOYSA-N,2,1,0.483,59,468,467.867,4.58,5,0.34,0.67,1.0,0.5363837296963881,0.6153793434308821,0.8555188129668974,0.8315913919539442,0.709718319512028
EOS-2-26093,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cc(Cl)cc4F)n23)ccn1,UAXXEYAAZWQUNV-UHFFFAOYSA-N,2,1,0.467,26,624,467.867,4.58,5,0.363,0.61,1.0,0.5967548488794462,0.5915033239668289,0.8296038653964772,0.8177815091494757,0.7089108868480569
EOS-2-26094,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4c(F)ccc(Cl)c4F)n23)c1,WKEFYZXVBJSRMX-UHFFFAOYSA-N,2,1,0.511,84,328,467.867,4.14,5,0.349,0.64,1.0,0.7600490028099514,0.7025649372901104,0.8659190596943321,0.8575834418477143,0.7965291104105271
EOS-2-26095,Cn1nccc1-c1ccc(Cl)c(-c2nnc3cncc(OCCc4cc(F)cc(F)n4)n23)c1,WHHISUJAJQTBLD-UHFFFAOYSA-N,2,1,0.489,37,639,467.867,4.14,5,0.349,0.57,1.0,0.6966280583921596,0.7953532999794394,0.7724196422452196,0.7846360770337879,0.7622592694126518
EOS-2-26096,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccncc4Cl)n23)ccc1C(F)F,ITKLGUJZDASECK-UHFFFAOYSA-N,2,1,0.489,16,343,467.867,4.757,5,0.358,0.61,0.999,0.7661058186553354,0.7165204578164622,0.9109810842300048,0.8791635254609006,0.8181927215406758
EOS-2-26097,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5Cl)n34)cc2F)n1C,MUYLDSPBNNNZIU-UHFFFAOYSA-N,2,1,0.489,16,772,467.867,4.406,5,0.381,0.66,1.0,0.8569152217120143,0.7530840929340004,0.8525032554314304,0.8315999588787609,0.8235256322390515
EOS-2-26098,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nc2F)n1,DNNFSWPMNDCWNO-UHFFFAOYSA-N,2,1,0.588,19,442,467.867,4.14,5,0.349,0.63,1.0,0.8134552121170585,0.7256185319717634,0.792063600849839,0.7915752861352888,0.7806781577684874
EOS-2-26099,Cn1nc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cc1-c1ccc(Cl)cc1,YYNIOLYUUSVOAH-UHFFFAOYSA-N,2,1,0.467,95,266,467.867,4.14,5,0.373,0.68,1.0,0.5596857651977246,0.5763398670413269,0.7264152559797136,0.7803012130765541,0.6606855253238297
EOS-2-26100,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)c(Cl)c(F)c4)n23)c1,CFLWYPRGENFFCI-UHFFFAOYSA-N,2,1,0.444,46,1,467.867,4.58,5,0.34,0.64,1.0,0.5312949763552876,0.4622027277088616,0.8644027140017819,0.8417174970872455,0.6749044787882942
EOS-2-26101,CCn1nncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)c(Cl)c1,QUHLAPUALAYIPE-UHFFFAOYSA-N,2,1,0.472,34,332,467.867,4.58,5,0.363,0.67,1.0,0.4471763415804263,0.6484905078473031,0.7860496196285381,0.8316085258035776,0.6783312487149613
EOS-2-26102,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)nc1F,QWQPZEPSYDPGBN-UHFFFAOYSA-N,2,1,0.581,84,308,467.867,4.14,5,0.349,0.67,1.0,0.8823675553423344,0.7661914879035021,0.8240182304160099,0.8197433349324926,0.8230801521485848
EOS-2-26103,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)nc1Cl,GQRFTRSCOPWDAZ-UHFFFAOYSA-N,2,1,0.454,84,442,467.867,4.14,5,0.349,0.69,1.0,0.727383318483997,0.702573504214927,0.8028664930436571,0.8159139195394421,0.7621843088205058
EOS-2-26104,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ccc(F)c(F)c1,FIHOIVXMDCPTSO-UHFFFAOYSA-N,2,1,0.457,95,266,467.867,4.14,5,0.349,0.7,1.0,0.5313035432801042,0.5069392091015009,0.7080820368720444,0.7604602152011514,0.6266962511137002
EOS-2-26105,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)ccc1F,VIWUVXKLJPVDAN-UHFFFAOYSA-N,2,1,0.575,88,70,467.867,4.14,5,0.373,0.69,1.0,0.8592197244876979,0.8959289973271195,0.8540624357480638,0.8721472140360497,0.8703395928997327
EOS-2-26106,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c(F)c2)n[nH]1,OOPJRQNIMXQNBN-UHFFFAOYSA-N,2,1,0.557,88,70,467.867,4.438,5,0.397,0.73,1.0,0.9366304571311083,0.9209872524158728,0.8066702076622576,0.8197519018573093,0.871009954766637
EOS-2-26107,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1F,FBZNLKJCAREBBP-UHFFFAOYSA-N,2,1,0.718,88,70,467.867,4.14,5,0.373,0.68,1.0,0.9181173326022891,0.9388664245082585,0.8644112809265986,0.8763107394969502,0.899426444383524
EOS-2-26108,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)cn1,VHNIJMMRYBPVIN-UHFFFAOYSA-N,2,1,0.581,15,519,467.867,4.72,5,0.344,0.68,1.0,0.7393084778287986,0.8376996093482284,0.8600507161949147,0.8316170927283942,0.817168974025084
EOS-2-26109,FC(F)n1c(Cl)ccc1-c1cccc(-c2nnc3cncc(OCCc4cccnn4)n23)c1,JLKGPVJGCCQMDV-UHFFFAOYSA-N,2,1,0.479,72,482,467.867,4.72,5,0.344,0.66,1.0,0.6877698581317251,0.7072853128640944,0.8411092454252621,0.8316256596532109,0.7669475190185732
EOS-2-26110,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)nc2F)n1,FLQPXNWUSYQGEU-UHFFFAOYSA-N,2,1,0.588,19,442,467.867,4.14,5,0.349,0.65,1.0,0.8108251661983414,0.7256270988965801,0.7920721677746556,0.7939311904598725,0.7806139058323625
EOS-2-26111,Cn1cncc1-c1cnc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(F)c1,RABRUXOOPMFYEX-UHFFFAOYSA-N,2,1,0.57,84,308,467.867,4.14,5,0.373,0.68,1.0,0.8455726132547461,0.687718456582825,0.8130697005003084,0.8197604687821259,0.7915303097800014
EOS-2-26112,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1ccc(Cl)c(F)c1,KQMHFTFPUQJMCV-UHFFFAOYSA-N,2,1,0.457,95,266,467.867,4.14,5,0.349,0.65,1.0,0.5390137756151052,0.5481632513193064,0.7080906037968611,0.7579758070043178,0.6383108594338976
EOS-2-26113,Cn1nc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cc1-c1ccc(F)cc1,BZIHTSMJIKYPKY-UHFFFAOYSA-N,2,1,0.467,95,266,467.867,4.14,5,0.373,0.68,1.0,0.5544428072099239,0.5481718182441231,0.7239051470084299,0.7803097800013707,0.6517073881159618
EOS-2-26114,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)c(F)c4)n23)cc1,FMBQKQKIVVQUEA-UHFFFAOYSA-N,2,1,0.68,91,781,467.867,4.14,5,0.349,0.68,1.0,0.9580734699472278,0.9209958193406894,0.8364574052498115,0.8316342265780275,0.886790230278939
EOS-2-26115,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1F,WCBLJEYXHYJZOM-UHFFFAOYSA-N,2,1,0.598,88,803,467.867,4.14,5,0.373,0.72,1.0,0.8504043588513467,0.8881330957439517,0.7793759851963539,0.8159224864642588,0.8334589815639777
EOS-2-26116,Cn1ncc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)c1-c1cncc(F)c1,WUYMUXMALRRZLY-UHFFFAOYSA-N,2,1,0.551,84,73,467.867,4.14,5,0.373,0.67,1.0,0.5909550407785621,0.5665907065999589,0.7877972722911384,0.8256459461311767,0.692747241450209
EOS-2-26117,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1ccc(F)c(F)c1,PSUIQVJGVNKKFQ-UHFFFAOYSA-N,2,1,0.528,95,998,467.867,4.14,5,0.349,0.72,1.0,0.5939277636899458,0.5574497978205744,0.7837879514769378,0.8092060174079913,0.6860928825988623
EOS-2-26118,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c(F)c1,MBFSGXDLLQQFBN-UHFFFAOYSA-N,2,1,0.528,26,832,467.867,4.14,5,0.349,0.63,1.0,0.8805342334315674,0.8343413748200946,0.847483037488863,0.8377852785963951,0.8500359810842301
EOS-2-26119,CCn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1F,ZIHFUXNGJHYCGD-UHFFFAOYSA-N,2,1,0.671,59,96,467.867,4.58,5,0.363,0.66,1.0,0.6603214310191213,0.8233671441299432,0.829612432321294,0.8593139606606812,0.7931537420327599
EOS-2-26120,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1F,XNYXKZXQSCNFJP-UHFFFAOYSA-N,2,1,0.539,26,125,467.867,4.14,5,0.349,0.65,1.0,0.90001542046467,0.8446045507504626,0.8555273798917141,0.8435765197724625,0.8609309677198272
EOS-2-26121,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)nc1F,KOCQIWJIJASBJA-UHFFFAOYSA-N,2,1,0.484,84,442,467.867,4.14,5,0.349,0.66,1.0,0.7514478102940169,0.7256356658213967,0.8066787745870743,0.8113563155369748,0.7737796415598657
EOS-2-26122,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1cncc(F)c1,DWWMMVSXAXKPGT-UHFFFAOYSA-N,2,1,0.588,95,381,467.867,4.14,5,0.373,0.71,1.0,0.6332927832225345,0.5250411212391201,0.7963984648070729,0.8256545130559935,0.6950967205811802
EOS-2-26123,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)nc1F,OOEBDVNRDRSIPW-UHFFFAOYSA-N,2,1,0.489,84,442,467.867,4.14,5,0.349,0.7,1.0,0.742521074635049,0.7530926598588171,0.7214550065108628,0.7449540812829827,0.740505705571928
EOS-2-26124,Clc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)o1,IRJJPTHGEGYYAL-UHFFFAOYSA-N,2,1,0.417,12,285,467.876,5.349,6,0.334,0.71,1.0,0.7060773764649442,0.6973476800767596,0.5723733808512097,0.6212305530806662,0.6492572476183949
EOS-2-26125,Clc1cccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,OKXCMTHPTBJJGR-UHFFFAOYSA-N,2,1,0.426,69,152,467.876,5.349,6,0.334,0.72,1.0,0.4354053868823247,0.5526009183743403,0.6819015146323076,0.702033787951477,0.5929854019601124
EOS-2-26126,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)cc2)o1,HUZABSGPISMBEV-UHFFFAOYSA-N,2,1,0.309,69,57,467.88,4.031,6,0.373,0.64,1.0,0.14675998903433624,0.20980398876019465,0.5655198409978754,0.5593088205057912,0.3703481598245494
EOS-2-26127,Cc1cnc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)n5)o4)n23)c(-c2ccccc2)n1,RSPDCSZBLPAGKJ-UHFFFAOYSA-N,2,1,0.282,30,541,467.88,4.322,6,0.349,0.61,0.667,0.18572236310054144,0.2504711808649167,0.11055616475909807,0.2152439860187787,0.19049842368583375
EOS-2-26128,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccnc6Cl)c5)n34)cn2)cn1,RLULGCMPZPRPDF-UHFFFAOYSA-N,2,1,0.284,42,151,467.88,3.855,6,0.388,0.59,0.756,0.09863957233911315,0.2504797477897334,0.5216486190117195,0.5333767390857378,0.35103616955657596
EOS-2-26129,Clc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1,LWBRUHNEZLYUDJ-UHFFFAOYSA-N,2,1,0.419,3,722,467.88,4.479,6,0.394,0.75,1.0,0.41256596532108836,0.552609485299157,0.57548317455966,0.6182663970940991,0.5397312555685011
EOS-2-26130,Cc1noc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cc2Cl)n1,UQLYPOHLFVWWTK-UHFFFAOYSA-N,2,1,0.317,42,608,467.88,4.322,6,0.373,0.7,1.0,0.3105681584538414,0.38946953601535195,0.2680162428894524,0.32269035706942634,0.322686073607018
EOS-2-26131,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(Cl)n6)cn5)n34)cc2)n1,AOTYVWYVWWNNJU-UHFFFAOYSA-N,2,1,0.309,38,983,467.88,4.322,6,0.349,0.7,1.0,0.2216520457816462,0.34630080186416284,0.3603077239394147,0.35786615036666436,0.32153168048797204
EOS-2-26132,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cnc(Cl)nn6)c5)n34)cc2)o1,LJTKDNHGKBTFBZ-UHFFFAOYSA-N,2,1,0.292,42,303,467.88,4.322,6,0.373,0.64,1.0,0.2894421218559386,0.38440648344870126,0.4191453635802892,0.4182972380234391,0.37782280172709204
EOS-2-26133,Cc1cc(-c2cnc(Cl)cn2)ncc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,OCOSPHGKOSLFNV-UHFFFAOYSA-N,2,1,0.329,42,725,467.88,4.322,6,0.373,0.67,1.0,0.27542663285587005,0.3752398738948667,0.4591786032485779,0.46262250702487834,0.3931169042560482
EOS-2-26134,Cc1ncnc(-c2ccccn2)c1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3Cl)n12,BGDBNBRMDZDPMQ-UHFFFAOYSA-N,2,1,0.302,10,693,467.88,4.322,6,0.373,0.67,1.0,0.24928894524021658,0.31223014186827497,0.30478548420259066,0.3904033308203687,0.3141769755328627
EOS-2-26135,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(-c2ncc(Cl)cn2)n1,ANRKFJOGGCSNAW-UHFFFAOYSA-N,2,1,0.284,9,339,467.88,4.322,6,0.373,0.6,1.0,0.28397642382290456,0.3411178123500788,0.2902131450894387,0.34834829689534647,0.31591391953944215
EOS-2-26136,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)nc5)n34)nn2)o1,PDNHXFYDOXPOAW-UHFFFAOYSA-N,2,1,0.36,3,541,467.88,4.322,6,0.373,0.72,1.0,0.1829552463847577,0.41309711465972176,0.30109313960660683,0.4088479199506545,0.3264983551504352
EOS-2-26137,Cc1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)o1,NVUJJEUPKPVXFH-UHFFFAOYSA-N,2,1,0.321,42,171,467.88,4.322,6,0.373,0.67,1.0,0.22739188540881367,0.3654393119045987,0.43776985813172503,0.48995099719004864,0.38013801315879653
EOS-2-26138,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)c2)o1,DFSJFCLJJZOICQ-UHFFFAOYSA-N,2,1,0.321,9,424,467.88,4.322,6,0.373,0.7,1.0,0.26252484408196836,0.33135151805907753,0.404864299910904,0.440374203275992,0.3597787163319855
EOS-2-26139,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cn1,RCNWYQTVHXEMMA-UHFFFAOYSA-N,2,1,0.259,39,972,467.884,3.248,6,0.384,0.66,0.839,0.01032314440408471,0.07262182167089301,0.15456445754232062,0.2498372284284833,0.12183666301144541
EOS-2-26140,Cc1cc(-c2cnc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)c6)nn5)n34)cn2)cnn1,HDGCPRLJCCOGAD-UHFFFAOYSA-N,2,1,0.284,10,37,467.884,3.248,6,0.384,0.64,0.956,0.0019104242341169214,0.06521143170447537,0.23216366253169762,0.32889281063669384,0.15704458227674595
EOS-2-26141,Cc1ncc(-c2nnc3cncc(-c4ncn(-c5ccccc5Cl)n4)n23)c(-c2ccncn2)n1,GYUJABKTGDLHMJ-UHFFFAOYSA-N,2,1,0.277,10,871,467.884,3.248,6,0.384,0.6,0.722,0.044368103625522584,0.13898978822561853,0.12214721403604963,0.20626584881091084,0.12794273867452538
EOS-2-26142,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(Cl)nc5)n4)n23)cc1,UZSSWZVTNSAKCF-UHFFFAOYSA-N,2,1,0.309,98,167,467.884,3.154,6,0.359,0.68,1.0,0.17424268384620656,0.23498218079638133,0.25007710232335,0.2887225001713385,0.2370061167843191
EOS-2-26143,Cn1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)n1,AAIXVPYALIXYOW-UHFFFAOYSA-N,2,1,0.317,98,219,467.884,3.154,6,0.384,0.67,1.0,0.2216606127064629,0.2555599342060174,0.26802480981426907,0.36146425878966487,0.27667740387910356
EOS-2-26144,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc(Cl)n1,RYXZYTXSOGNAJV-UHFFFAOYSA-N,2,1,0.3,76,968,467.884,3.154,6,0.359,0.71,1.0,0.11423994243026524,0.204895140840244,0.13964944143650196,0.22648379137824687,0.1713170790213145
EOS-2-26145,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)c1,BFFQBPYBBNHZML-UHFFFAOYSA-N,2,1,0.302,25,581,467.884,3.154,6,0.384,0.72,0.999,0.12775854979096704,0.30185559591529026,0.13326708244808444,0.2915667192104722,0.21361198684120353
EOS-2-26146,Cn1nc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nc1Cl,PSMABQQAANPFDB-UHFFFAOYSA-N,2,1,0.321,94,167,467.884,3.154,6,0.384,0.71,1.0,0.14126859022685218,0.31729319443492565,0.1611352888767048,0.22961928586114727,0.21232908984990745
EOS-2-26147,Cn1ncnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cnc(Cl)cn5)cc4)n23)cn1,UJBFAWCZPLUFKK-UHFFFAOYSA-N,2,1,0.351,86,167,467.884,3.154,6,0.384,0.67,1.0,0.1553354807758207,0.24061065040093207,0.19000582550887535,0.25298985676101704,0.2097354533616613
EOS-2-26148,Cn1nc(-c2cnnc(Cl)c2)cc1-c1nnc2cncc(-c3ccc(-c4cccnn4)cn3)n12,KOOXKKDDCWVVQU-UHFFFAOYSA-N,2,1,0.256,70,887,467.884,3.154,6,0.384,0.58,0.663,0.042911726406689055,0.14627167431978616,0.22471043794119663,0.28873106709615515,0.17565622644095674
EOS-2-26149,Cc1ncc(-c2cc(-c3nnc4cncc(Cc5nnc6ncccc6n5)n34)cc(Cl)n2)cn1,WMIYWAFXUFOKQK-UHFFFAOYSA-N,2,1,0.291,85,441,467.884,2.929,6,0.356,0.55,1.0,0.2327547803440477,0.26044308135151806,0.08584058666301145,0.1415255979713522,0.18014101158248236
EOS-2-26150,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6Cl)n5)n34)cc2)nn1,HTZYEJYDKVKLTM-UHFFFAOYSA-N,2,1,0.333,8,973,467.884,3.248,6,0.384,0.64,1.0,0.06783291069837571,0.25556850113083407,0.10259749160441368,0.20020046604071004,0.15654984236858338
EOS-2-26151,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3cnc(-c4ccccn4)nc3)n12,HGSDKHHWCGBOJI-UHFFFAOYSA-N,2,1,0.322,8,754,467.884,3.154,6,0.359,0.7,1.0,0.15534404770063737,0.2710575011993695,0.07644267013912685,0.14878178329106984,0.16290650058255088
EOS-2-26152,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1,TUWRLNBNYYIPAE-UHFFFAOYSA-N,2,1,0.326,25,373,467.884,3.154,6,0.384,0.72,1.0,0.19145363580289218,0.27106606812418615,0.20753375368377766,0.28570694263587143,0.23894010006168187
EOS-2-26153,Fc1ccc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1Cl,STYXJYREMOKXKV-UHFFFAOYSA-N,2,1,0.375,21,107,467.891,6.573,6,0.293,0.68,1.0,0.44261017065314234,0.5763484339661435,0.9309934206017408,0.9544582276745939,0.7261025632239051
EOS-2-26154,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)ccc1Cl,MEIUTFRROGQEIW-UHFFFAOYSA-N,2,1,0.38,69,958,467.891,6.573,6,0.293,0.78,1.0,0.4882633130011651,0.6339353025837845,0.9665033239668289,0.9741364539784799,0.7657095983825646
EOS-2-26155,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nn1,AMJABKLPWNRXDO-UHFFFAOYSA-N,2,1,0.346,93,991,467.895,5.499,6,0.342,0.73,1.0,0.04879720375573984,0.3463093687889795,0.852511822356247,0.9157785621273388,0.5408492392570763
EOS-2-26156,Cc1cc(-c2nnc3cncc(-c4cccc(-c5nnc(F)c6cnccc56)c4)n23)ccc1Cl,GOCBSBDQAJKLPO-UHFFFAOYSA-N,2,1,0.307,3,192,467.895,5.564,6,0.338,0.76,1.0,0.3589198821191145,0.5481803851689397,0.8687804125830991,0.9010948529915701,0.6692438832156808
EOS-2-26157,Fc1cnc(-n2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)cc1Cl,AVJSDFRYADISDE-UHFFFAOYSA-N,2,1,0.298,30,20,467.895,5.499,6,0.342,0.72,0.998,0.057098553903090946,0.24061921732574876,0.8701425536289493,0.8997755465698033,0.5169089678568981
EOS-2-26158,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,WOTUCBNYSSXHGT-UHFFFAOYSA-N,2,1,0.364,83,991,467.895,5.499,6,0.342,0.74,1.0,0.06577684874237544,0.4131056815845384,0.8510383112877802,0.9124031937495717,0.5605810088410664
EOS-2-26159,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(Cl)cc6)nn5)n34)cc2)cc1,LJJFDQSCXWKRGI-UHFFFAOYSA-N,2,1,0.397,83,991,467.895,5.499,6,0.342,0.77,1.0,0.060619560002741414,0.3752484408196834,0.8832585155232677,0.9339147419642245,0.5632603145774793
EOS-2-26160,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cc2)c1,MEVAMZWWISOVNT-UHFFFAOYSA-N,2,1,0.373,93,68,467.895,5.499,6,0.32,0.77,1.0,0.030404016174354054,0.28667500514015487,0.8659276266191488,0.9090106915221712,0.5230043348639573
EOS-2-26161,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,ZTLIPLWOTDQGBM-UHFFFAOYSA-N,2,1,0.306,3,668,467.895,5.499,6,0.342,0.7,1.0,0.05354328010417381,0.29203790007538893,0.8832670824480844,0.9102100609965047,0.534764580906038
EOS-2-26162,Fc1cc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)ccc1-c1ccccn1,DYRACCXJQLLTMN-UHFFFAOYSA-N,2,1,0.349,3,668,467.895,5.499,6,0.342,0.74,1.0,0.024621341923103283,0.2812435748063875,0.8806970050030841,0.9168151600301556,0.5258442704406826
EOS-2-26163,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ncn(-c4ccc(Cl)cc4)n3)n12,KHMNGPOARWIJKI-UHFFFAOYSA-N,2,1,0.354,83,689,467.895,5.499,6,0.342,0.72,1.0,0.06062812692755808,0.3560499623055308,0.8130782674251251,0.8958861627030361,0.5314106298403125
EOS-2-26164,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)c6)c5)n34)cc2)nc1,QHASAVSYAAPIAR-UHFFFAOYSA-N,2,1,0.326,3,668,467.895,5.499,6,0.342,0.76,1.0,0.033051195942704406,0.2762661914879035,0.8843465149749846,0.9178688917826057,0.5278831985470496
EOS-2-26165,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)n2)cc1,CEFGBZXYYWDKRK-UHFFFAOYSA-N,2,1,0.364,83,289,467.895,5.499,6,0.342,0.77,1.0,0.06063669385237475,0.34631793571379615,0.8379223493934618,0.9078370228222877,0.5381785004454801
EOS-2-26166,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cccc(Cl)c4)cc3)n12,SGUKTZBXHDINFJ-UHFFFAOYSA-N,2,1,0.385,83,834,467.895,5.703,6,0.359,0.69,1.0,0.33575491741484476,0.5157031731889521,0.9128401069152217,0.9415907065999589,0.6764722260297444
EOS-2-26167,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1Cl,KAPBTKOEIFLPQL-UHFFFAOYSA-N,2,1,0.355,93,689,467.895,5.499,6,0.342,0.8,0.999,0.06578541566719211,0.34632650263861287,0.8395671989582619,0.9021400178192036,0.5384547837708176
EOS-2-26168,Fc1ccc(Cl)cc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nn1,FCDHDAVGRJLOLL-UHFFFAOYSA-N,2,1,0.346,93,991,467.895,5.499,6,0.342,0.75,1.0,0.042920293331505724,0.3411263792748955,0.8540710026728805,0.9168237269549723,0.5387353505585635
EOS-2-26169,Fc1cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)ccc1Cl,OQAOOJMRBCVBJK-UHFFFAOYSA-N,2,1,0.355,93,689,467.895,5.499,6,0.342,0.81,0.999,0.07373552189705983,0.3799174148447673,0.8395757658830786,0.9021485847440203,0.5488443218422315
EOS-2-26170,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6)c5)n34)nc2)c1,HCXIXZMXHQGNHT-UHFFFAOYSA-N,2,1,0.314,3,673,467.895,5.499,6,0.342,0.77,0.999,0.008258515523267769,0.1956342951134261,0.8807055719279008,0.92523644712494,0.5024587074223836
EOS-2-26171,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c(Cl)c1,WHNQHGLZBCSNOK-UHFFFAOYSA-N,2,1,0.351,93,689,467.895,5.499,6,0.342,0.72,0.997,0.06784147762319238,0.3173017613597423,0.8088290727160579,0.8915855664450689,0.5213894695360153
EOS-2-26172,Fc1ccc(Cl)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c1,AXRRAWRTLNQWRO-UHFFFAOYSA-N,2,1,0.346,93,991,467.895,5.499,6,0.342,0.77,1.0,0.048805770680556505,0.3362175313549448,0.8540795695976973,0.9178774587074224,0.5392450825851552
EOS-2-26173,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cc1Cl,MKAZJDUWRKUZBK-UHFFFAOYSA-N,2,1,0.306,30,668,467.895,5.499,6,0.342,0.77,0.994,0.03171475567130423,0.2710746350490028,0.8832756493729012,0.9157871290521554,0.5254630422863409
EOS-2-26174,Fc1cc(-c2cccc(Cl)c2)ccc1-c1nnc2cncc(-c3cn(-c4ccccc4)nn3)n12,OBSMGLGDHPVLNB-UHFFFAOYSA-N,2,1,0.358,93,991,467.895,5.499,6,0.342,0.74,1.0,0.021408745116852854,0.3122387087930916,0.8474916044136797,0.9133712562538551,0.5236275786443698
EOS-2-26175,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccn(-c6ccc(Cl)cc6)n5)n34)cc2)nc1,NCDAFDWFGBLABJ-UHFFFAOYSA-N,2,1,0.354,3,950,467.895,5.499,6,0.342,0.71,1.0,0.0587605373175245,0.2866835720649716,0.8616098965115482,0.9021571516688369,0.5273027893907203
EOS-2-26176,Fc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,HXBSBQMXMUUAGK-UHFFFAOYSA-N,2,1,0.337,30,668,467.895,5.499,6,0.32,0.76,1.0,0.07573161537934343,0.3362260982797615,0.8182869577136591,0.8819649098759509,0.5280523953121787
EOS-2-26177,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)nn2)c1,HEIJEDJDZQXJEY-UHFFFAOYSA-N,2,1,0.346,93,991,467.895,5.499,6,0.342,0.76,1.0,0.05027928174902337,0.3362346652045782,0.870151120553766,0.927352477554657,0.5460043862655062
EOS-2-26178,Fc1cc(Cl)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c1,HZMMKVSBYFMZBC-UHFFFAOYSA-N,2,1,0.36,93,991,467.895,5.499,6,0.342,0.73,1.0,0.04715235419093962,0.2658745116852855,0.8584401343293812,0.9178860256322391,0.5223382564594613
EOS-2-26179,Fc1cc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)ccc1-c1ccccc1,AQKAACLRNIXWMT-UHFFFAOYSA-N,2,1,0.346,93,68,467.895,5.499,6,0.32,0.76,1.0,0.0257350421492701,0.27108320197381947,0.8525203892810637,0.89978411349462,0.5122806867246933
EOS-2-26180,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)cc1Cl,DDNBQUNXWYHNFO-UHFFFAOYSA-N,2,1,0.351,93,991,467.895,5.499,6,0.342,0.74,1.0,0.06412343225275854,0.3267168117332602,0.8779641559865671,0.9252450140497567,0.5485123535055857
EOS-2-26181,Fc1cccc(-c2ncc(Cl)cc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1,IKUHFSPNDPEUDT-UHFFFAOYSA-N,2,1,0.337,30,317,467.895,5.499,6,0.342,0.76,1.0,0.01587451168528545,0.20032040298814338,0.8110650400932081,0.8791720923857173,0.47660801178808854
EOS-2-26182,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(Cl)cc6)n5)n34)cc2)cc1,RINIWDNJILIXOV-UHFFFAOYSA-N,2,1,0.403,83,550,467.895,5.499,6,0.342,0.76,1.0,0.07184223151257625,0.4082996367623878,0.8475001713384963,0.9113494619971215,0.5597478754026455
EOS-2-26183,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)nn2)cc1,HHLHNAKBKNIBMI-UHFFFAOYSA-N,2,1,0.359,83,991,467.895,5.499,6,0.342,0.77,1.0,0.03695771365910493,0.3222191762045096,0.8767390857377836,0.9305736412857241,0.5416224042217805
EOS-2-26184,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)n4)n23)nn1C,GNZRPHNGFKBXKG-UHFFFAOYSA-N,2,1,0.381,31,569,467.896,3.217,5,0.339,0.56,0.97,0.32566307998081007,0.26588307861010213,0.21108046055787816,0.22962785278596395,0.25806361798368854
EOS-2-26185,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cnn(CCF)c1,XIBANZORYNWGLV-UHFFFAOYSA-N,2,1,0.418,31,569,467.896,3.028,5,0.323,0.67,1.0,0.3497961071893633,0.19564286203824274,0.1934154615859091,0.22649235830306352,0.2413366972791447
EOS-2-26186,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)nn1C,KRQLEBUJSDABME-UHFFFAOYSA-N,2,1,0.402,31,569,467.896,3.217,5,0.339,0.51,0.996,0.3158111164416421,0.234990747721198,0.23563326708244808,0.26511205537660204,0.26288679665547254
EOS-2-26187,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1n[nH]c(=N)s1,DFKQANSCDPGCJT-UHFFFAOYSA-N,2,1,0.459,72,224,467.902,2.753,5,0.388,0.6,1.0,0.5106829552463847,0.47501884723459664,0.190014392433692,0.14153416489616888,0.3293125899527105
EOS-2-26188,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1csc(C)n1,VWCJOHVROOVESK-UHFFFAOYSA-N,2,1,0.494,13,209,467.913,5.817,5,0.324,0.73,1.0,0.8266311424850935,0.7997138647111233,0.847508738263313,0.7939397573846891,0.8169483757110547
EOS-2-26189,Oc1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1nccs1,ONWDGYARKPHNFX-UHFFFAOYSA-N,2,1,0.576,11,803,467.913,5.034,5,0.377,0.69,1.0,0.9273439106298403,0.9247052977863066,0.7964070317318895,0.8049139880748406,0.8633425570557193
EOS-2-26190,COc1cc(-c2nnc3cncc(OCc4cc(-c5cccc(F)c5)ns4)n23)ccc1Cl,LCVNPDGYJNZESB-UHFFFAOYSA-N,2,1,0.511,57,709,467.913,5.295,5,0.337,0.78,1.0,0.8860598999383181,0.8981820985539031,0.8296209992461107,0.8275649372901104,0.8603569837571106
EOS-2-26191,COc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)c1Cl,JTCXLIOAXONCFE-UHFFFAOYSA-N,2,1,0.548,97,326,467.913,5.295,5,0.337,0.46,1.0,0.9047700637379207,0.8511925159344802,0.9091563292440545,0.8791806593105339,0.8860748920567474
EOS-2-26192,Cc1nc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(Cl)c(O)c4)n23)s1,UPEBUFGUSVLBJK-UHFFFAOYSA-N,2,1,0.566,57,798,467.913,5.3,5,0.377,0.73,0.998,0.9462168460009595,0.9429699814954424,0.7214635734356796,0.7681361798368858,0.8446966451922417
EOS-2-26193,COc1cc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1cnc(F)c(Cl)c1,BVDDGOLKNKSMOL-UHFFFAOYSA-N,2,1,0.614,97,83,467.913,5.295,5,0.316,0.71,1.0,0.8266397094099103,0.8720444109382496,0.8728240010965663,0.8256630799808101,0.8492928003563841
EOS-2-26194,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)cc5F)n34)c2)cs1,LBKCOXKRYMCPGZ-UHFFFAOYSA-N,2,1,0.49,87,76,467.917,4.427,5,0.341,0.66,1.0,0.6635254609005551,0.7349821807963813,0.5723819477760264,0.5692550202179426,0.6350361524227264
EOS-2-26195,Cc1csc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5F)nc(C)n4)n23)n1,XCOUWUQGFAKEGT-UHFFFAOYSA-N,2,1,0.456,44,500,467.917,4.693,5,0.37,0.7,1.0,0.585078130354328,0.6242546775409499,0.3756596532108834,0.42808066616407375,0.5032682818175588
EOS-2-26196,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)n1,KVXHIWNTHJWQCJ-UHFFFAOYSA-N,2,1,0.394,58,531,467.917,4.427,5,0.365,0.66,0.987,0.8158625179905421,0.6777808237954903,0.3641371393324652,0.4310705229250908,0.5722127510108971
EOS-2-26197,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccc2F)nn1,RLBKMEHFKJPWPU-UHFFFAOYSA-N,2,1,0.489,37,639,467.917,4.427,5,0.365,0.73,1.0,0.9300681927215406,0.9264872181481736,0.5113768761565348,0.5659738880131588,0.733476543759852
EOS-2-26198,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)s1,LUZUXQKKNWHEBT-UHFFFAOYSA-N,2,1,0.511,72,628,467.917,4.427,5,0.365,0.62,1.0,0.7514563772188335,0.7916952230827222,0.4377784250565417,0.48095572613254745,0.6154714378726612
EOS-2-26199,Cc1cc(F)nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)n1,NVBDFICZLNEZME-UHFFFAOYSA-N,2,1,0.479,58,954,467.917,4.427,5,0.341,0.65,1.0,0.8805428003563841,0.9026626002330204,0.3794376670550339,0.40540401617435406,0.6420117709546982
EOS-2-26200,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cn2)s1,XMNSJIAATGLACY-UHFFFAOYSA-N,2,1,0.565,84,483,467.917,4.427,5,0.365,0.75,1.0,0.7861609896511548,0.90032382975807,0.45232506339524364,0.5164313617983689,0.6638103111507093
EOS-2-26201,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)s1,YUHSFYHLXVAMJQ-UHFFFAOYSA-N,2,1,0.545,37,563,467.917,4.427,5,0.365,0.74,1.0,0.8548163251319306,0.8959375642519362,0.42310328284558973,0.48096429305736416,0.6637053663217052
EOS-2-26202,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)s5)n34)cc2F)ncn1,ZBTFPRSPYQOPRI-UHFFFAOYSA-N,2,1,0.551,37,669,467.917,4.427,5,0.365,0.69,1.0,0.8860684668631348,0.8542594750188472,0.5080443424028511,0.5196096909053526,0.6919954937975463
EOS-2-26203,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)ncc1F,FESGPFILGLZPCA-UHFFFAOYSA-N,2,1,0.484,87,510,467.917,4.427,5,0.365,0.73,1.0,0.9033222534439038,0.9003323966828867,0.36780378315399903,0.39942430265231993,0.6427206839832773
EOS-2-26204,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ncn2)ccn1,YBFWWDZJYOLIFY-UHFFFAOYSA-N,2,1,0.398,18,194,467.917,4.449,5,0.349,0.49,0.845,0.6137087930916318,0.5295130559934206,0.49717291481049963,0.5196182578301692,0.5400032554314304
EOS-2-26205,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)s1,KNLKQUUKUHTEGM-UHFFFAOYSA-N,2,1,0.716,84,360,467.917,4.427,5,0.365,0.72,1.0,0.909507573161538,0.9133455554794051,0.48023610444794734,0.5333853060105544,0.7091186347748613
EOS-2-26206,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)s1,PFPJXWGVQKDUEZ-UHFFFAOYSA-N,2,1,0.562,84,749,467.917,4.427,5,0.365,0.76,1.0,0.8029007607429237,0.8934788568295524,0.4154615859091221,0.49621341923103285,0.6520136556781578
EOS-2-26207,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)sc1F,SDATYRHIPZFIBN-UHFFFAOYSA-N,2,1,0.484,58,954,467.917,4.427,5,0.341,0.65,1.0,0.7571105475978342,0.7786135288876704,0.2867007059146049,0.32577445000342675,0.5370498081008841
EOS-2-26208,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)s1,ZSYLEFUBLGXBTN-UHFFFAOYSA-N,2,1,0.716,84,360,467.917,4.427,5,0.365,0.73,1.0,0.9111181550270715,0.9133541224042218,0.48024467137276405,0.5298557329860873,0.7086431704475361
EOS-2-26209,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ncn2)s1,DZJQASWGGZKSKO-UHFFFAOYSA-N,2,1,0.578,44,308,467.917,4.427,5,0.365,0.66,0.999,0.7861695565759715,0.7165290247412789,0.5587348365430745,0.5786443698170105,0.6600194469193339
EOS-2-26210,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)cn2)s1,BFGYDLGMXHJABI-UHFFFAOYSA-N,2,1,0.521,87,76,467.917,4.427,5,0.341,0.57,1.0,0.760057569734768,0.8660561304913988,0.5216571859365362,0.5164399287231856,0.6660527037214722
EOS-2-26211,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)s1,GIMORFBFDDKSDP-UHFFFAOYSA-N,2,1,0.56,84,672,467.917,4.427,5,0.365,0.77,1.0,0.7861781235007882,0.9073315742581043,0.4523336303200603,0.5260691522171201,0.6679781200740182
EOS-2-26212,Cc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc(-c2cncs2)n1,JBWXOMXAOGUPTH-UHFFFAOYSA-N,2,1,0.505,75,76,467.917,4.427,5,0.341,0.55,1.0,0.777619765608937,0.7702779110410527,0.5688009732026592,0.5593173874306079,0.6690040093208143
EOS-2-26213,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)n1,IJINCALLLWMYHM-UHFFFAOYSA-N,2,1,0.506,37,563,467.917,4.427,5,0.365,0.7,1.0,0.9356024261531081,0.9329895140840244,0.469878692344596,0.519626824754986,0.7145243643341785
EOS-2-26214,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)c2)s1,HFBLPVZZTQDBEI-UHFFFAOYSA-N,2,1,0.547,84,73,467.917,4.427,5,0.365,0.73,1.0,0.6193715303954492,0.7574189568912343,0.514983551504352,0.572339113151943,0.6160282879857446
EOS-2-26215,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)ccn2)cs1,PEOIDLVYGQSMNE-UHFFFAOYSA-N,2,1,0.545,75,698,467.917,4.427,5,0.341,0.68,1.0,0.7541378246864505,0.7487406620519498,0.5185645260777192,0.5131673634432184,0.6336525940648344
EOS-2-26216,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)ccn2)s1,CQVLGTYMSUNSPW-UHFFFAOYSA-N,2,1,0.539,75,496,467.917,4.427,5,0.341,0.65,1.0,0.7305616475909807,0.7662000548283189,0.5318775272428209,0.5228565554108697,0.6378739462682476
EOS-2-26217,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)c2)s1,BPXKSLOREMUORR-UHFFFAOYSA-N,2,1,0.527,72,628,467.917,4.427,5,0.341,0.61,1.0,0.7832054005894045,0.8194263587142759,0.46988725926941266,0.4962219861558495,0.6421852511822357
EOS-2-26218,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ncc5Cl)n34)ccn2)s1,RNAXBLSSWMTUQC-UHFFFAOYSA-N,2,1,0.533,75,496,467.917,4.427,5,0.341,0.68,1.0,0.7661143855801521,0.7917037900075389,0.5387653347954219,0.5396991296004386,0.6590706599958879
EOS-2-26219,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)s1,FRISCUNJMBYNOJ-UHFFFAOYSA-N,2,1,0.565,37,125,467.917,4.427,5,0.365,0.7,1.0,0.882376122267151,0.8934874237543692,0.47638098828044684,0.5433572064971558,0.6989004351997807
EOS-2-26220,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)sc1F,MZKGFTRONVVGEJ-UHFFFAOYSA-N,2,1,0.543,58,578,467.917,4.427,5,0.341,0.63,1.0,0.8314114865327942,0.8271622918237269,0.3867366869988349,0.4054125830991707,0.6126807621136316
EOS-2-26221,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)n1,ZKGZBVXSPVAXKX-UHFFFAOYSA-N,2,1,0.489,37,563,467.917,4.427,5,0.365,0.77,1.0,0.964927009800562,0.9401343293811254,0.4835343705023645,0.5030241244602838,0.7229049585360839
EOS-2-26222,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cnc1F,UTWFDLPGCGTYMS-UHFFFAOYSA-N,2,1,0.474,58,579,467.917,4.427,5,0.365,0.6,1.0,0.8765934480159002,0.8981906654787197,0.3941042423411692,0.41830580494825575,0.6467985401960112
EOS-2-26223,FCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)s1,TYJLSAFULDZIJP-UHFFFAOYSA-N,2,1,0.517,75,525,467.917,4.449,5,0.326,0.6,1.0,0.6603299979439381,0.6630799808100885,0.3904204646700021,0.42471386471112327,0.5346360770337879
EOS-2-26224,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)s1,VQDGBZHCBQYYDP-UHFFFAOYSA-N,2,1,0.576,37,626,467.917,4.427,5,0.341,0.72,1.0,0.8766020149407169,0.9172520731958056,0.4904478788294154,0.5433657734219725,0.7069169350969776
EOS-2-26225,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cc5F)n34)ccn2)cs1,MSDVYURTVNSNKV-UHFFFAOYSA-N,2,1,0.489,75,583,467.917,4.427,5,0.365,0.64,1.0,0.7393170447536153,0.7256442327462134,0.4083167706120211,0.4435610993077925,0.5792097868549105
EOS-2-26226,FCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)s1,ZRZFYWZIMZEFDB-UHFFFAOYSA-N,2,1,0.517,75,496,467.917,4.449,5,0.326,0.61,1.0,0.672580700431773,0.6630885477349051,0.40487286683572066,0.44038277020080874,0.5452312213008019
EOS-2-26227,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2Cl)s1,PKIHTLMAQUSBHE-UHFFFAOYSA-N,2,1,0.565,37,161,467.917,4.427,5,0.365,0.72,1.0,0.8337930916318278,0.9210043862655062,0.5007367555342335,0.5626499211842917,0.7045460386539648
EOS-2-26228,CCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5Cl)n34)ncn2)s1,PAZHWCSGDSFGDT-UHFFFAOYSA-N,2,1,0.406,44,488,467.917,4.639,5,0.359,0.7,0.94,0.5081642793502844,0.5665992735247756,0.46628915084641215,0.5260777191419368,0.5167826057158522
EOS-2-26229,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5nc(Cl)ccc5F)n34)ccn2)cs1,KVGSVLPKBDLVDO-UHFFFAOYSA-N,2,1,0.478,58,583,467.917,4.427,5,0.341,0.71,1.0,0.7944966074977726,0.8078524432869577,0.3941128092659859,0.4280892330888904,0.6061377732849017
EOS-2-26230,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)sc5Cl)n34)cn2)cn1,ZFPWMVJFWSOBFA-UHFFFAOYSA-N,2,1,0.533,65,981,467.917,4.427,5,0.365,0.65,1.0,0.8029093276677404,0.8573178671783976,0.4971814817353163,0.4930436570488657,0.66261308340758
EOS-2-26231,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5sc(Cl)nc5C)n34)cc2F)cn1,UMRUNRQOSPNIPI-UHFFFAOYSA-N,2,1,0.524,16,716,467.917,4.693,5,0.37,0.7,1.0,0.7945051744225893,0.783188266739771,0.45918717017339455,0.4532417243506271,0.6225305839215955
EOS-2-26232,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)s1,QQIIHITWSYGJIG-UHFFFAOYSA-N,2,1,0.505,72,628,467.917,4.427,5,0.365,0.63,1.0,0.7150555136728121,0.7873089575765883,0.38674525392365156,0.44998629292029335,0.5847740045233363
EOS-2-26233,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)s1,XUQFDPVOMZXBHY-UHFFFAOYSA-N,2,1,0.551,72,628,467.917,4.427,5,0.341,0.56,1.0,0.7861866904256049,0.8271708587485436,0.4627681447467617,0.4930522239736824,0.6422944794736481
EOS-2-26234,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cc1F,IABOHOWWDNOGRD-UHFFFAOYSA-N,2,1,0.5,58,241,467.917,4.427,5,0.365,0.64,0.999,0.8388732780481118,0.7786220958124872,0.4377869919813584,0.4779059008978137,0.6332970666849429
EOS-2-26235,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc2F)cs1,QWBIIHHANKFKAI-UHFFFAOYSA-N,2,1,0.427,58,954,467.917,4.427,5,0.341,0.67,0.999,0.6362398053594681,0.6826297032417243,0.3641457062572819,0.3962202727708862,0.5198088719073402
EOS-2-26236,FCc1nc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cs1,YOAXTQXHWQLBIF-UHFFFAOYSA-N,2,1,0.516,58,819,467.917,4.449,5,0.326,0.7,1.0,0.7181567404564457,0.6925073675553424,0.29022171201425534,0.3483568638201631,0.5123106709615517
EOS-2-26237,FCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)s1,WNVVETBCJRPVRR-UHFFFAOYSA-N,2,1,0.544,75,496,467.917,4.449,5,0.349,0.65,1.0,0.7118086491672949,0.7165375916660955,0.3343842094441779,0.3868737577959016,0.5374010520183675
EOS-2-26238,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nnc5ccccn45)cc3)n12,GKMOUXAEVIFTDE-UHFFFAOYSA-N,2,1,0.74,77,660,467.92,4.776,6,0.35,0.83,1.0,0.9487526557466932,0.9283462408333905,0.6248286615036667,0.7104122404221781,0.803084949626482
EOS-2-26239,CCc1nc(-c2nnc3cncc(OCc4ccnc(C#N)c4)n23)ccc1-c1ccc(Cl)cc1,KIDKRYQTXYBCGT-UHFFFAOYSA-N,2,1,0.452,1,348,467.92,4.915,5,0.349,0.78,0.997,0.6877784250565417,0.787317524501405,0.7133164279350285,0.7104208073469948,0.7247082962099924
EOS-2-26240,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)c(Cl)c2)cn1,HQVMJLOCCZPJQZ-UHFFFAOYSA-N,2,1,0.327,69,484,467.92,5.65,6,0.325,0.67,1.0,0.2465132615996162,0.3122472757179083,0.7133249948598451,0.7104293742718114,0.4956287266122953
EOS-2-26241,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccncc5)nn5cccc45)n23)ccc1Cl,WLEYPXVGCCXZAF-UHFFFAOYSA-N,2,1,0.489,97,247,467.92,5.042,6,0.353,0.68,0.998,0.6480364608320197,0.7574275238160509,0.7629446233979851,0.7753409636077033,0.7359373929134397
EOS-2-26242,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cc4)n23)cc1,LYEGSJKCUAPSLB-UHFFFAOYSA-N,2,1,0.764,77,660,467.92,4.776,6,0.35,0.83,1.0,0.9525563703652937,0.9487355218970598,0.6398721814817353,0.7157751353574121,0.8142348022753753
EOS-2-26243,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)c(Cl)c2)cn1,QVNPHPKJBLZEDB-UHFFFAOYSA-N,2,1,0.337,9,764,467.924,4.308,6,0.383,0.72,1.0,0.12488006305256664,0.2604516482763347,0.6460060996504695,0.65032382975807,0.42041541018436024
EOS-2-26244,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5cn(C)nc5-c5cccc(Cl)c5)n34)nc2)n1,VOQUVCGLFHFDEL-UHFFFAOYSA-N,2,1,0.358,98,572,467.924,4.308,6,0.383,0.69,1.0,0.06064526077719142,0.23015043519978068,0.43414604893427455,0.48995956411486535,0.303725327256528
EOS-2-26245,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)c2)nn1,VOWNHOUQXRUNCM-UHFFFAOYSA-N,2,1,0.321,9,42,467.924,4.308,6,0.383,0.75,1.0,0.13859570968405183,0.26046021520115137,0.5488400383798232,0.5723476800767596,0.38006091083544646
EOS-2-26246,Cc1cn(C)c(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(Cl)cc6)n5)n34)cc2)n1,WTAURQPOELHRGF-UHFFFAOYSA-N,2,1,0.364,3,289,467.924,4.401,6,0.381,0.74,1.0,0.04437667055033925,0.23499931464601467,0.3678123500788157,0.4310790898499075,0.2695668562812693
EOS-2-26247,CCn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)cn5)n34)cn2)cn1,QUHZAFCPNFZRNW-UHFFFAOYSA-N,2,1,0.278,10,151,467.924,4.576,6,0.368,0.73,1.0,0.01497498457953533,0.11799225549996573,0.49719004866013294,0.5626584881091083,0.2982039442121856
EOS-2-26248,Cc1c(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)c(-c2ccccc2)nn1C,RXOPPPPTGWJMEN-UHFFFAOYSA-N,2,1,0.318,10,39,467.924,4.401,6,0.381,0.64,1.0,0.0019189911589335893,0.15016105818655334,0.22842848331163046,0.37763861284353367,0.18953678637516275
EOS-2-26249,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5cnn(C)c5-c5cccc(Cl)c5)n34)nc2)n1,PXJHAQQJQZQGGR-UHFFFAOYSA-N,2,1,0.366,98,572,467.924,4.308,6,0.383,0.63,1.0,0.08434994174491124,0.24555376602014942,0.44503461037625935,0.5062195874169009,0.32028947638955524
EOS-2-26250,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)c6)c5)n34)cc2)nn1C,GBBIJNSNSPRWGU-UHFFFAOYSA-N,2,1,0.322,3,150,467.924,4.401,6,0.381,0.77,1.0,0.02819374957165376,0.17842334315674047,0.3717103008703996,0.4343773559043246,0.2531761873757796
EOS-2-26251,Cc1nn(C)c(-c2cccc(Cl)c2)c1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,SWWSNWXZJAOYTD-UHFFFAOYSA-N,2,1,0.357,9,7,467.924,4.606,6,0.406,0.62,1.0,0.06785004454800905,0.2504883147145501,0.4048814337605373,0.48696970735384826,0.3025473750942362
EOS-2-26252,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ncnn1C,FZFJUXZAPGHQEE-UHFFFAOYSA-N,2,1,0.511,15,771,467.942,3.932,5,0.358,0.72,1.0,0.6449780686724693,0.5763570008909602,0.29759783428140635,0.25887533411006786,0.4444520594887259
EOS-2-26253,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cn(C)nc5C)s4)n23)ccc1Cl,HZAVJWCNRJFWBF-UHFFFAOYSA-N,2,1,0.489,16,67,467.942,4.198,5,0.369,0.67,1.0,0.43794976355287507,0.5250496881639367,0.29379411966280583,0.24113323281474883,0.37448170104859163
EOS-2-26254,CCOc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)n[nH]1,CZWJIXWPUOSOEZ-UHFFFAOYSA-N,2,1,0.465,58,954,467.942,4.312,5,0.362,0.67,0.928,0.6539819066547872,0.7397796586937153,0.3304519909533274,0.30408299636762387,0.5070741381673635
EOS-2-26255,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(O)sc4Cl)n23)ccn1,PSJLABANWZRZOC-UHFFFAOYSA-N,2,1,0.469,75,624,467.942,4.112,5,0.384,0.58,0.999,0.40169453772873687,0.3606761017065314,0.3047940511274073,0.28873963402097186,0.3389760811459118
EOS-2-26256,OCCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,CBNUSVLUCJLYNW-UHFFFAOYSA-N,2,1,0.522,15,734,467.942,3.379,5,0.373,0.65,1.0,0.7541463916112672,0.6008327050921801,0.22843705023644711,0.2915752861352889,0.4687478582687958
EOS-2-26257,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1nncn1C,WLWWZRLYXYIPBD-UHFFFAOYSA-N,2,1,0.516,15,771,467.942,3.932,5,0.358,0.73,1.0,0.644986635597286,0.5481889520937564,0.3082893564526078,0.2737646494414365,0.4438073983962717
EOS-2-26258,COc1cc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)ccc1-c1ncnn1C,WQFRLQJXFMHZCA-UHFFFAOYSA-N,2,1,0.516,15,771,467.942,3.932,5,0.358,0.55,1.0,0.5654427386745254,0.5022616681516003,0.337733877047495,0.2945651428963059,0.42500085669248167
EOS-2-26259,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cnnn1C,ZJORLIMNIGSDHZ-UHFFFAOYSA-N,2,1,0.505,15,638,467.942,3.932,5,0.358,0.72,1.0,0.5263861284353368,0.5666078404495922,0.37171886779521623,0.32578301692824346,0.44762396340209715
EOS-2-26260,Cc1nc(Cl)sc1COc1cncc2nnc(-c3cccc(-c4cnn(CCO)c4)c3)n12,MSXIWKQZNHRFQT-UHFFFAOYSA-N,2,1,0.441,16,388,467.942,3.644,5,0.389,0.63,1.0,0.37967754094990064,0.3267253786580769,0.2004746076348434,0.20907580015077787,0.27898833184839966
EOS-2-26261,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cnn(C)c1,NSGMAMWYJAEIMO-UHFFFAOYSA-N,2,1,0.423,31,954,467.942,3.932,5,0.358,0.65,0.997,0.47584983894181343,0.4311133575491741,0.28670927283942155,0.23539339318758137,0.3572664656294976
EOS-2-26262,Clc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)ccn1,YKYGVJYPMVKKHW-UHFFFAOYSA-N,2,1,0.384,93,651,467.945,5.692,6,0.31,0.69,1.0,0.16621547529298883,0.3313600849838942,0.5557364128572407,0.7020423548762936,0.4388385820026044
EOS-2-26263,Clc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)s1,BNVZRUZXIDJQBT-UHFFFAOYSA-N,2,1,0.364,93,641,467.945,5.692,6,0.331,0.78,1.0,0.14127715715166883,0.3894781029401686,0.572390514700843,0.7236995408128298,0.45671132890137756
EOS-2-26264,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5ccsc5)cn4)n23)nc1,GNIQWAUIZQZDFS-UHFFFAOYSA-N,2,1,0.36,42,106,467.945,5.692,6,0.331,0.77,1.0,0.13617126996093482,0.312255842642725,0.6460146665752862,0.7579843739291344,0.4631065382770201
EOS-2-26265,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)s2)c1,IVWWMGNIWUCDHE-UHFFFAOYSA-N,2,1,0.333,30,737,467.945,5.692,6,0.331,0.73,0.998,0.050287848673840035,0.2604687821259681,0.48731238434651497,0.6702933315057227,0.3670905866630114
EOS-2-26266,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)nc5)n34)cc2)c1,FRXALPGCZSLHRV-UHFFFAOYSA-N,2,1,0.385,93,74,467.945,5.692,6,0.331,0.72,1.0,0.11944863271879926,0.34113494619971213,0.7469416078404496,0.8316427935028442,0.5097919950654513
EOS-2-26267,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccsc6)cn5)n34)cn2)cc1,MGBOMGCXKADRIS-UHFFFAOYSA-N,2,1,0.37,32,72,467.945,5.692,6,0.331,0.81,1.0,0.1998063874991433,0.41777465560962235,0.6980930025358097,0.7803183469261874,0.5239980981426906
EOS-2-26268,Clc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccns6)cn5)n34)cc2)ccn1,IQRQXTXDQOWCPY-UHFFFAOYSA-N,2,1,0.361,41,818,467.945,5.692,6,0.31,0.66,1.0,0.17699266671235694,0.3510725789870468,0.7607257898704681,0.8069786169556576,0.5239424131313823
EOS-2-26269,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)cc2)nc1,PZQXEWOFZQTHNC-UHFFFAOYSA-N,2,1,0.351,32,479,467.945,5.692,6,0.331,0.78,1.0,0.1940665478719759,0.3703738605989994,0.660124391748338,0.7184480159002125,0.4857532040298815
EOS-2-26270,Clc1ncc(-c2nnc3cncc(-c4ccc(-c5cccs5)cn4)n23)c(-c2ccccc2)n1,CYFNEICHTIVDBC-UHFFFAOYSA-N,2,1,0.351,32,20,467.945,5.692,6,0.31,0.61,0.947,0.2520217942567336,0.41778322253443906,0.5251781920361867,0.6328130354328011,0.4569490610650401
EOS-2-26271,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)cc1,XZTKGXJIIAVMNT-UHFFFAOYSA-N,2,1,0.387,69,641,467.945,5.692,6,0.331,0.72,1.0,0.13075697347680076,0.4177917894592557,0.5522239736824069,0.6938438078267425,0.44865413611130145
EOS-2-26272,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)c1,MOIQOHDOMSJCBF-UHFFFAOYSA-N,2,1,0.38,93,641,467.945,5.692,6,0.331,0.71,1.0,0.07778767733534371,0.35108114591186346,0.5352614625454047,0.6792286340895072,0.41083972997052975
EOS-2-26273,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)nc1,XQLQWLSQFMKOFU-UHFFFAOYSA-N,2,1,0.373,93,74,467.945,5.692,6,0.331,0.66,1.0,0.1829638133095744,0.379925981769584,0.7214721403604962,0.8006562264409568,0.5212545404701528
EOS-2-26274,Clc1cc(-c2nccs2)cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,FWWOOMGQRAGGTD-UHFFFAOYSA-N,2,1,0.338,69,152,467.945,5.692,6,0.331,0.7,1.0,0.1467685559591529,0.32673394558289354,0.7239137139332465,0.7777825371804538,0.4937996881639367
EOS-2-26275,Clc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c1,BFJOBEFXBGTONU-UHFFFAOYSA-N,2,1,0.39,32,20,467.945,5.692,6,0.331,0.74,0.998,0.17425125077102324,0.3463350695634295,0.6366081831265848,0.7289167980261805,0.4715278253718045
EOS-2-26276,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)n1,GHVPQTRIJYRDQR-UHFFFAOYSA-N,2,1,0.351,32,479,467.945,5.692,6,0.31,0.66,1.0,0.19692790076074293,0.35108971283668017,0.695377287368926,0.747626961825783,0.497755465698033
EOS-2-26277,Clc1ccsc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,WPLZUASXUOFYIB-UHFFFAOYSA-N,2,1,0.342,42,170,467.945,5.692,6,0.331,0.7,1.0,0.22740045233363032,0.37993454869440063,0.7677849359194023,0.8137122198615585,0.5472080392022479
EOS-2-26278,Clc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cccs5)cc4)n23)nc1,CFJXLKCIADFDMM-UHFFFAOYSA-N,2,1,0.3,32,339,467.945,5.692,6,0.331,0.7,1.0,0.2677078335960524,0.37038242752381606,0.5216657528613529,0.6416541018436023,0.4503525289562059
EOS-2-26279,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccncc5)s4)n23)cn1,CEBKTPMQRKBOLZ-UHFFFAOYSA-N,2,1,0.373,32,20,467.945,5.692,6,0.331,0.64,0.966,0.1142485093550819,0.31731032828455896,0.6220272770886163,0.7289253649509972,0.4456278699198136
EOS-2-26280,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)cc1,WBWJDIIRJMPUSI-UHFFFAOYSA-N,2,1,0.373,93,74,467.945,5.692,6,0.331,0.79,1.0,0.11945719964361592,0.31226440956754165,0.7516962511137002,0.8337673908573778,0.5042963127955589
EOS-2-26281,Clc1cc(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)ccc1-c1ccccc1,UZMYWFJAOPRZIW-UHFFFAOYSA-N,2,1,0.359,93,651,467.945,5.692,6,0.331,0.78,1.0,0.1361798368857515,0.2920464670002056,0.7316410801178809,0.8197690357069426,0.49490910492769513
EOS-2-26282,Clc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)s2)n1,BEUDGFQHZTTYSW-UHFFFAOYSA-N,2,1,0.361,32,126,467.945,5.692,6,0.31,0.72,0.991,0.20815913919539442,0.40830820368720444,0.6844287574532246,0.7289339318758139,0.5074575080529093
EOS-2-26283,Cc1nc(C)c(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)s1,YHBLBIPQDSEMNX-UHFFFAOYSA-N,2,1,0.517,15,561,468.007,5.868,5,0.312,0.64,1.0,0.6877869919813584,0.7443800973202659,0.3756682201357001,0.38688232472071826,0.5486794085395107
EOS-2-26284,Clc1cc(-c2cc(-c3nnc4cncc(CCCc5ccccc5)n34)ccn2)cs1,XUIFEZRRFXEMMM-UHFFFAOYSA-N,2,1,0.59,14,886,431.952,5.744,5,0.344,0.74,1.0,0.3589284490439312,0.4930093893495991,0.5815057227057775,0.6992067027619766,0.5331625659653212
EOS-2-26285,Clc1ncsc1CCOc1cncc2nnc(-c3csc(-c4nnco4)c3)n12,SRNPDSRQOIYTJP-UHFFFAOYSA-N,2,1,0.478,65,981,431.89,3.634,5,0.401,0.62,1.0,0.4379583304776917,0.41780035638407237,0.07223631005414297,0.13020869028853402,0.2645509218011103
EOS-2-26286,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(Cl)cc1,KBDDXZXHMUUVSI-UHFFFAOYSA-N,2,1,0.58,95,835,431.887,3.862,5,0.406,0.82,1.0,0.5056798711534508,0.520372147214036,0.49375471180864916,0.5496538962374066,0.5173651566033857
EOS-2-26287,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cc(C)n(C)n4)cn3)n12,PYZMYYQGCNALGB-UHFFFAOYSA-N,2,1,0.373,96,985,431.887,4.224,5,0.423,0.74,1.0,0.2356846686313481,0.38948666986498526,0.5318860941676375,0.46891919676512916,0.406494157357275
EOS-2-26288,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)n1,KAWMWNFRVARVCL-UHFFFAOYSA-N,2,1,0.573,15,889,431.887,3.862,5,0.379,0.72,1.0,0.7776283325337536,0.7744328695771366,0.5943475430059626,0.5659824549379755,0.678097800013707
EOS-2-26289,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,UZAUZZBKCOLIBG-UHFFFAOYSA-N,2,1,0.603,15,669,431.887,3.862,5,0.379,0.7,1.0,0.9288002878486739,0.8307861010211774,0.5387739017202385,0.5131759303680351,0.7028840552395312
EOS-2-26290,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,KXRCSPPTIHHZBN-UHFFFAOYSA-N,2,1,0.539,15,589,431.887,3.862,5,0.406,0.77,1.0,0.5106915221712014,0.5815828250291275,0.5723990816256597,0.5818912343225275,0.561641165787129
EOS-2-26291,Cc1ccc(-c2cn(C)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,DTWBMPLMAZKCMK-UHFFFAOYSA-N,2,1,0.62,43,909,431.887,4.128,5,0.416,0.77,1.0,0.6664981838119388,0.7997224316359399,0.6653502158865053,0.652979576451237,0.6961376019464053
EOS-2-26292,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4)n23)c(Cl)n1,KVRUXAQJNMLATG-UHFFFAOYSA-N,2,1,0.542,16,519,431.887,4.128,5,0.389,0.73,1.0,0.5710455075046261,0.5620673702967582,0.6627715715166884,0.5999503118360633,0.598958690288534
EOS-2-26293,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cn2)n1,SGGJYCZOGLEQMG-UHFFFAOYSA-N,2,1,0.614,84,73,431.887,3.862,5,0.406,0.73,1.0,0.6419967788362689,0.734990747721198,0.5251867589610033,0.5397076965252553,0.6104704955109314
EOS-2-26294,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)cn1,SBFKROSDEMKSKN-UHFFFAOYSA-N,2,1,0.588,15,519,431.887,3.862,5,0.379,0.75,1.0,0.7454509629223494,0.7744414365019533,0.657365841957371,0.6268333219107669,0.7010228908231101
EOS-2-26295,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)cn1,ZFCFJKDDMVTCAW-UHFFFAOYSA-N,2,1,0.575,15,519,431.887,3.862,5,0.406,0.76,1.0,0.6998063874991433,0.7574360907408677,0.642922006716469,0.6268418888355836,0.681751593448016
EOS-2-26296,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1-c1cccnc1,YNULVQCFNYSUCR-UHFFFAOYSA-N,2,1,0.581,95,493,431.887,3.862,5,0.406,0.84,1.0,0.4379668974025084,0.4083167706120211,0.47321122609827976,0.5364779658693716,0.46399321499554524
EOS-2-26297,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,VRZHLIJGFISLJU-UHFFFAOYSA-N,2,1,0.477,16,55,431.887,4.302,5,0.373,0.68,1.0,0.3796861078747173,0.4036906312110205,0.6160304297169488,0.5878966486190117,0.49682595435542454
EOS-2-26298,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)n1,HVIZIDVJIJTDNV-UHFFFAOYSA-N,2,1,0.662,84,73,431.887,3.862,5,0.406,0.66,1.0,0.5237817832910698,0.5620759372215749,0.5879566170927284,0.6028030978000137,0.5691543588513467
EOS-2-26299,Cn1ncc(-c2nnc3cncc(OCCc4ccncc4)n23)c1-c1ccc(Cl)cc1,RBJVFDGBGIMZTE-UHFFFAOYSA-N,2,1,0.641,35,393,431.887,3.862,5,0.406,0.78,1.0,0.5156432047152354,0.5962151326159961,0.5007453224590501,0.562667055033925,0.5438176787060517
EOS-2-26300,Cn1cnc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c1,OUMVTULPHBRCOK-UHFFFAOYSA-N,2,1,0.482,15,655,431.887,3.862,5,0.379,0.72,1.0,0.5763827016654102,0.5526180522239736,0.5286563635117538,0.5463470632581728,0.5510010451648276
EOS-2-26301,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c2)cn1,FDTBRFJVIPJLHL-UHFFFAOYSA-N,2,1,0.602,84,884,431.887,3.862,5,0.406,0.79,1.0,0.5031526283325337,0.5385254609005551,0.6601329586731547,0.6586337468302378,0.5901111986841203
EOS-2-26302,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5ccnn5C)c4)n23)ccc1Cl,SSLOQDNJIHNCIR-UHFFFAOYSA-N,2,1,0.518,16,256,431.887,4.128,5,0.416,0.7,1.0,0.5237903502158865,0.6242632444657665,0.7107206497155781,0.6616493043657049,0.630105887190734
EOS-2-26303,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cn1,GLIRAASQGRLFHK-UHFFFAOYSA-N,2,1,0.671,84,73,431.887,3.862,5,0.406,0.77,1.0,0.4955623329449661,0.5295216229182372,0.6573744088821877,0.6616578712905216,0.5860290590089781
EOS-2-26304,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c2)n1,LNJLNJCQBKXRTQ-UHFFFAOYSA-N,2,1,0.595,84,73,431.887,3.862,5,0.406,0.71,1.0,0.5415924199849222,0.5763655678157769,0.5911520800493455,0.5999588787608799,0.5772672366527312
EOS-2-26305,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,OHTCMZZSRRXFJT-UHFFFAOYSA-N,2,1,0.582,15,669,431.887,3.862,5,0.379,0.7,1.0,0.7514649441436502,0.6630971146597218,0.5149921184291687,0.5030326913851004,0.6081467171544103
EOS-2-26306,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)n1,WSSAFYCGMKGMEU-UHFFFAOYSA-N,2,1,0.534,72,848,431.887,3.862,5,0.379,0.69,1.0,0.6966366253169762,0.7614197107806182,0.48354293742718113,0.47791446782263036,0.6048784353368515
EOS-2-26307,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,ZNVJLRXIZFHMPB-UHFFFAOYSA-N,2,1,0.595,15,626,431.887,3.862,5,0.379,0.67,1.0,0.9323212939483243,0.8343499417449113,0.5522325406072236,0.529864299910904,0.7121920190528408
EOS-2-26308,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)c(Cl)c1,RLWZNIVYRWUBNC-UHFFFAOYSA-N,2,1,0.598,26,393,431.887,3.862,5,0.406,0.74,1.0,0.6935610993077925,0.7120485230621616,0.6429305736412857,0.6268504557604002,0.66884766294291
EOS-2-26309,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccccn5)n(C)n4)n23)ccc1Cl,VTIZIVSHTYLBPQ-UHFFFAOYSA-N,2,1,0.511,4,268,431.887,4.128,5,0.416,0.71,1.0,0.3773816050990336,0.5815913919539442,0.4904564457542321,0.49623055308066616,0.486414998971969
EOS-2-26310,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,ZBRABADHVBRTBT-UHFFFAOYSA-N,2,1,0.452,26,55,431.887,4.302,5,0.373,0.66,1.0,0.5339335891988212,0.4978497018710164,0.6275872112946337,0.5941676375848125,0.5633845349873209
EOS-2-26311,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cn1,JLTJMWYSKBTVMM-UHFFFAOYSA-N,2,1,0.595,15,519,431.887,3.862,5,0.379,0.75,1.0,0.7362929202933315,0.77445000342677,0.6460232335001028,0.612440888218765,0.6923017613597423
EOS-2-26312,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)cn1,FLGFAIUYHZRIDV-UHFFFAOYSA-N,2,1,0.554,4,519,431.887,4.302,5,0.398,0.63,1.0,0.41045850181618804,0.5385340278253719,0.5688095401274759,0.5496624631622233,0.5168661332328148
EOS-2-26313,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ccnn5C)cn4)n23)ccc1Cl,CBWURTIIIGVZAK-UHFFFAOYSA-N,2,1,0.541,4,677,431.887,4.128,5,0.416,0.73,1.0,0.4036563635117538,0.6242718113905832,0.6627801384415051,0.6124494551435816,0.5757894421218559
EOS-2-26314,Cn1ncc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1-c1ccccn1,PLTBTBQZZWTQNM-UHFFFAOYSA-N,2,1,0.696,19,73,431.887,3.862,5,0.406,0.81,1.0,0.5339421561236378,0.5069477760263176,0.39042903159481873,0.47495887876088,0.47656946062641353
EOS-2-26315,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cn1,AIUVWUMYTDOMFG-UHFFFAOYSA-N,2,1,0.602,84,56,431.887,3.862,5,0.406,0.78,1.0,0.7485607566307998,0.7256527996710301,0.5688181070522925,0.5786529367418272,0.6554211500239874
EOS-2-26316,Cc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5C)cn4)n23)ccc1Cl,NBQHBRXTUAIWHN-UHFFFAOYSA-N,2,1,0.523,4,677,431.887,4.221,5,0.414,0.66,1.0,0.4496693167020766,0.5915118908916456,0.6366167500514015,0.5692635871427593,0.5617653861969707
EOS-2-26317,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,AHEBAIAJTUBSKG-UHFFFAOYSA-N,2,1,0.731,91,309,431.887,3.862,5,0.406,0.7,1.0,0.7541549585360839,0.8040058940442739,0.584821122609828,0.6239719690219999,0.6917384860530464
EOS-2-26318,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cn2)c1,NSSDXBUDTLGNJL-UHFFFAOYSA-N,2,1,0.614,84,276,431.887,3.862,5,0.406,0.77,1.0,0.7718285244328695,0.8343585086697279,0.5488486053046399,0.5593259543554245,0.6785903981906654
EOS-2-26319,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc2)n1,VQBGWKOIAFZWCY-UHFFFAOYSA-N,2,1,0.707,91,309,431.887,3.862,5,0.406,0.75,1.0,0.7832139675142211,0.8155969433212255,0.5185730930025358,0.5364865327941882,0.6634676341580427
EOS-2-26320,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)n1,YDYYQPCZBPVTAV-UHFFFAOYSA-N,2,1,0.767,91,309,431.887,3.862,5,0.406,0.73,1.0,0.7916609553834556,0.8116304571311083,0.5185816599273525,0.539716263450072,0.665397333972997
EOS-2-26321,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,JDAVNNAPKVEJBD-UHFFFAOYSA-N,2,1,0.568,15,438,431.887,3.862,5,0.379,0.71,1.0,0.5544513741347405,0.6055359468165308,0.6429391405661024,0.6212391200054829,0.6060413953807142
EOS-2-26322,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,PWNBRLWIAMOFMO-UHFFFAOYSA-N,2,1,0.473,16,448,431.887,4.302,5,0.398,0.68,1.0,0.5131416626687684,0.4795850181618806,0.6160389966417654,0.5969690219998629,0.5514336748680693
EOS-2-26323,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)c2)cn1,XXNIKEMQMCLNRU-UHFFFAOYSA-N,2,1,0.556,15,438,431.887,3.862,5,0.379,0.72,1.0,0.596763415804263,0.6289750531149338,0.5943561099307793,0.5910835446508121,0.6027945308751971
EOS-2-26324,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)c1,LZMJYGYWYRXRGK-UHFFFAOYSA-N,2,1,0.556,15,438,431.887,3.862,5,0.379,0.63,1.0,0.7425296415598657,0.682638270166541,0.4763895552052635,0.4869782742786649,0.5971339353025837
EOS-2-26325,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,SWCUHANSCNNAGZ-UHFFFAOYSA-N,2,1,0.797,91,309,431.887,3.862,5,0.406,0.82,1.0,0.8638544308135152,0.8343670755945446,0.5352700294702214,0.5593345212802412,0.6982065142896305
EOS-2-26326,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)cc2)n(C)n1,OKXQIZXZAKSUIX-UHFFFAOYSA-N,2,1,0.577,43,178,431.887,4.128,5,0.416,0.8,1.0,0.6276985813172503,0.6537077650606539,0.445043177301076,0.4809728599821808,0.5518555959152903
EOS-2-26327,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,CGZRFBZRICTZSS-UHFFFAOYSA-N,2,1,0.809,91,520,431.887,3.862,5,0.406,0.8,1.0,0.9195480090466726,0.905198409978754,0.5454475361524227,0.5786615036666438,0.7372138647111233
EOS-2-26328,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ccc(Cl)cc1,WPWKMGNXHDSSRR-UHFFFAOYSA-N,2,1,0.539,95,266,431.887,3.862,5,0.406,0.76,1.0,0.48827187992598176,0.5250582550887534,0.38307861010211774,0.4595726817901446,0.4639953567267494
EOS-2-26329,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)cn1,DATAZFSYSBONDB-UHFFFAOYSA-N,2,1,0.58,84,73,431.887,3.862,5,0.406,0.76,1.0,0.6025289562058803,0.7574446576656844,0.5454561030772394,0.5786700705914605,0.6210249468850662
EOS-2-26330,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nccn5C)nc4)n23)ccc1Cl,MCQQPYVIEJESIL-UHFFFAOYSA-N,2,1,0.535,16,214,431.887,4.128,5,0.416,0.72,1.0,0.6966451922417929,0.6973562470015763,0.5848296895346446,0.54967103008704,0.6321255397162634
EOS-2-26331,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccccc1,FQLSBAKLOWPDSN-UHFFFAOYSA-N,2,1,0.473,95,54,431.887,3.862,5,0.406,0.74,0.992,0.4634277979576451,0.4358680008224248,0.3529830032211637,0.4403913371256254,0.4231675347817147
EOS-2-26332,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1,MZFYBLDMWGIEBY-UHFFFAOYSA-N,2,1,0.57,15,922,431.887,3.862,5,0.406,0.72,1.0,0.8952779110410527,0.7917123569323555,0.5655284079226921,0.5692721540675759,0.705447707490919
EOS-2-26333,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,QVOGJDHBZQRLIC-UHFFFAOYSA-N,2,1,0.554,15,438,431.887,3.862,5,0.379,0.76,1.0,0.6109588102254815,0.6679888287300391,0.5754917414844767,0.559343088205058,0.6034456171612638
EOS-2-26334,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,CSBMOANTIMPFBM-UHFFFAOYSA-N,2,1,0.76,91,309,431.887,3.862,5,0.406,0.78,1.0,0.8083664587759578,0.7744585703515866,0.5185902268521692,0.5563360975944075,0.6644378383935303
EOS-2-26335,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ccn(C)n5)cn4)n23)ccc1Cl,GMDQWKNNBMLKAF-UHFFFAOYSA-N,2,1,0.541,4,677,431.887,4.128,5,0.416,0.75,1.0,0.42658145432115685,0.6581796998149544,0.6487903502158865,0.5969775889246796,0.5826322733191693
EOS-2-26336,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,KQQSVIWEJSKDEO-UHFFFAOYSA-N,2,1,0.707,91,309,431.887,3.862,5,0.406,0.81,1.0,0.8186039339318758,0.7744671372764033,0.5185987937769858,0.5528236584195737,0.6661233808512096
EOS-2-26337,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cccc(Cl)c1,GCMLNKFHGCKYSS-UHFFFAOYSA-N,2,1,0.557,95,835,431.887,3.862,5,0.406,0.83,1.0,0.4402285655541087,0.42659002124597356,0.44505174422589266,0.5196353916798027,0.4578764306764444
EOS-2-26338,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)c1,MGDBNJQEVMOHNQ-UHFFFAOYSA-N,2,1,0.573,15,626,431.887,3.862,5,0.379,0.71,1.0,0.9047786306627373,0.8481940922486464,0.6128521006099651,0.5849153587828113,0.73768504557604
EOS-2-26339,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cn2)c1,JHAHDZIICCZAAA-UHFFFAOYSA-N,2,1,0.684,84,276,431.887,3.862,5,0.406,0.76,1.0,0.8289870468096772,0.8634946199712151,0.5655369748475088,0.5659910218627922,0.7060024158727982
EOS-2-26340,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccccc1,GUTDICNYCSNOHS-UHFFFAOYSA-N,2,1,0.511,95,54,431.887,3.862,5,0.406,0.74,1.0,0.48075011993694744,0.4265985881707902,0.40489000068535397,0.48098142690699747,0.44830503392502224
EOS-2-26341,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2)cn1,GTQDNFZABCJUCB-UHFFFAOYSA-N,2,1,0.518,16,519,431.887,4.302,5,0.373,0.67,1.0,0.4832088273593311,0.52506682201357,0.6333698855458845,0.5969861558494962,0.5596579226920704
EOS-2-26342,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)n1,KQKVOSPZQYDFEJ-UHFFFAOYSA-N,2,1,0.662,84,73,431.887,3.862,5,0.406,0.69,1.0,0.6277071482420671,0.707293879788911,0.5251953258858201,0.5433743403467891,0.6008926735658968
EOS-2-26343,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,BMOTVYSRCZKRDV-UHFFFAOYSA-N,2,1,0.575,15,669,431.887,3.862,5,0.379,0.77,1.0,0.5737269549722431,0.6055445137413474,0.6303971626345007,0.6061099307792475,0.6039446405318347
EOS-2-26344,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cnn(C)c5)cn4)n23)ccc1Cl,NXSFEBSRQCYPJL-UHFFFAOYSA-N,2,1,0.548,4,677,431.887,4.128,5,0.416,0.74,1.0,0.4195051744225893,0.658188266739771,0.7133335617846618,0.6558409293400042,0.6117169830717566
EOS-2-26345,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,YAOPSCDDRQZCBM-UHFFFAOYSA-N,2,1,0.534,15,848,431.887,3.862,5,0.379,0.75,1.0,0.8480570214515798,0.7702864779658694,0.5252038928106367,0.5228651223356864,0.6666031286409431
EOS-2-26346,Cc1nc(-c2ccncc2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C,CLQCTRIUGFQDJC-UHFFFAOYSA-N,2,1,0.57,4,32,431.887,4.128,5,0.416,0.7,1.0,0.6480450277568364,0.7917209238571722,0.3678209170036324,0.4151874443149887,0.5556935782331573
EOS-2-26347,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,JLYNWWNCEGKMFT-UHFFFAOYSA-N,2,1,0.576,15,922,431.887,3.862,5,0.406,0.68,1.0,0.8986275786443698,0.7873260914262217,0.5619902679734082,0.5528322253443904,0.7001940408470975
EOS-2-26348,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,VMKUUBWVYZYEQX-UHFFFAOYSA-N,2,1,0.545,26,619,431.887,3.862,5,0.406,0.7,1.0,0.687795558906175,0.619894112809266,0.6009098074155301,0.5999674456856967,0.6271417312041669
EOS-2-26349,CCn1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)c1,FSUKTNHRNRUQAT-UHFFFAOYSA-N,2,1,0.478,4,31,431.887,4.302,5,0.373,0.78,1.0,0.39952710575011996,0.4444606264135426,0.5252124597354534,0.4962391200054828,0.46635982797614967
EOS-2-26350,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)c1,CDFWOFOWSJFDJU-UHFFFAOYSA-N,2,1,0.527,15,490,431.887,3.862,5,0.406,0.76,1.0,0.6817644438352409,0.6777893907203071,0.5216743197861695,0.5333938729353711,0.6036555068192722
EOS-2-26351,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccn1,SEOVEXKOYGPNLY-UHFFFAOYSA-N,2,1,0.731,75,276,431.887,3.862,5,0.406,0.74,1.0,0.6109673771502981,0.5709341374820095,0.5755003084092934,0.5910921115756288,0.5871234836543076
EOS-2-26352,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)n1,DJWACGNDQXVDGC-UHFFFAOYSA-N,2,1,0.662,84,73,431.887,3.862,5,0.406,0.72,1.0,0.5995048317455967,0.6289836200397505,0.6071122609827976,0.6061184977040641,0.6104298026180522
EOS-2-26353,Cc1ccc(-c2nnc3cncc(OCc4ncnn4Cc4cccc(Cl)c4)n23)cc1,HYTHKEGPYHXMRW-UHFFFAOYSA-N,2,1,0.517,43,250,431.887,3.972,5,0.404,0.81,1.0,0.6109759440751148,0.548197519018573,0.3830871770269344,0.4809899938318141,0.5058126584881091
EOS-2-26354,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,CPVPJMCTRJLVBB-UHFFFAOYSA-N,2,1,0.523,16,55,431.887,4.302,5,0.373,0.72,1.0,0.3542080734699472,0.3703909944486327,0.6100849838941813,0.5753975053114934,0.47752038928106366
EOS-2-26355,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)nc2)cn1,PVAQDJJMHHXROV-UHFFFAOYSA-N,2,1,0.523,4,677,431.887,4.221,5,0.414,0.72,1.0,0.42659002124597356,0.5666164073744089,0.6736944006579398,0.6028116647248304,0.5674281235007882
EOS-2-26356,Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccn(C)n1,HJWSBXUNLYVZFZ-UHFFFAOYSA-N,2,1,0.535,4,677,431.887,4.128,5,0.416,0.65,1.0,0.4218867795216229,0.5385425947501885,0.6009183743403468,0.5496795970118566,0.5277568364060037
EOS-2-26357,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,TUYPVKFIBQTHIL-UHFFFAOYSA-N,2,1,0.573,15,669,431.887,3.862,5,0.379,0.72,1.0,0.9000239873894866,0.8040144609690906,0.6220358440134329,0.5941762045096293,0.7300626242204098
EOS-2-26358,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)n1,ZTLXGCWYWCVLDP-UHFFFAOYSA-N,2,1,0.527,15,628,431.887,3.862,5,0.406,0.74,1.0,0.54951682544034,0.6484990747721198,0.5041977931601672,0.5164484956480022,0.5546655472551573
EOS-2-26359,Cc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)n1,BZYAICXZHFNNQB-UHFFFAOYSA-N,2,1,0.529,4,268,431.887,4.128,5,0.416,0.71,1.0,0.5792440545541773,0.8116390240559249,0.4414793365773422,0.44999485984511,0.5705893187581386
EOS-2-26360,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)cc1,FWVGZYPLFRAONV-UHFFFAOYSA-N,2,1,0.636,43,520,431.887,4.302,5,0.398,0.71,1.0,0.8363631690768282,0.7662086217531355,0.5186073607018025,0.5659995887876088,0.6717946850798437
EOS-2-26361,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)cn1,OTIWSNQYFXVQKW-UHFFFAOYSA-N,2,1,0.59,15,519,431.887,3.862,5,0.406,0.74,1.0,0.702779110410527,0.757453224590501,0.5848382564594613,0.5723562470015763,0.6543567096155164
EOS-2-26362,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1C,BLUQSIMXSNKIGI-UHFFFAOYSA-N,2,1,0.667,43,250,431.887,4.128,5,0.416,0.78,1.0,0.7973151257624563,0.8446131176752792,0.4231118497704064,0.4809985607566308,0.6365096634911932
EOS-2-26363,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)n1,OPSMMSMKESVNHU-UHFFFAOYSA-N,2,1,0.5,15,561,431.887,3.862,5,0.379,0.72,1.0,0.5441881982043726,0.6581968336645878,0.46277671167157836,0.4689277636899459,0.5335223768076212
EOS-2-26364,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)n(C)n4)n23)ccn1,GHGBXWZECLMGKF-UHFFFAOYSA-N,2,1,0.5,95,965,431.887,4.128,5,0.416,0.77,1.0,0.3995356726749366,0.46221129463367827,0.5488571722294565,0.5496881639366733,0.4900730758686862
EOS-2-26365,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,RDJZRAZGUHUZOI-UHFFFAOYSA-N,2,1,0.575,15,438,431.887,3.862,5,0.379,0.63,1.0,0.7363014872181481,0.6679973956548557,0.5286649304365705,0.5164570625728189,0.6123552189705983
EOS-2-26366,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)n1,ZBTGUDMBPHKVMC-UHFFFAOYSA-N,2,1,0.576,15,889,431.887,3.862,5,0.406,0.67,1.0,0.7393256116784319,0.770295044890686,0.5186159276266191,0.5093807826742512,0.634404341717497
EOS-2-26367,Cn1nc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1-c1ccc(Cl)cn1,CRZUSXXGKIBSGF-UHFFFAOYSA-N,2,1,0.578,19,54,431.887,3.862,5,0.406,0.75,1.0,0.5237989171407031,0.462219861558495,0.36782948392844905,0.4435696662326091,0.4493544822150641
EOS-2-26368,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccn1,YFPQSLDJOQUVMD-UHFFFAOYSA-N,2,1,0.74,75,73,431.887,3.862,5,0.406,0.68,1.0,0.6725892673565896,0.586860050716195,0.4763981221300802,0.5062281543417175,0.5605188986361456
EOS-2-26369,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)n1,RMCOGRKJAKWIGH-UHFFFAOYSA-N,2,1,0.58,72,889,431.887,3.862,5,0.379,0.73,1.0,0.7888424371187719,0.7873346583510383,0.5815142896305942,0.552840792269207,0.6776330443424028
EOS-2-26370,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,BWZZSUPNADEUDJ-UHFFFAOYSA-N,2,1,0.517,15,561,431.887,3.862,5,0.379,0.7,1.0,0.6817730107600576,0.6242803783154,0.41547015283393873,0.43108765677472416,0.5381527996710301
EOS-2-26371,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(Cl)cc1,AZVQNEVDWQFJIS-UHFFFAOYSA-N,2,1,0.566,95,835,431.887,3.862,5,0.406,0.8,1.0,0.5208861627030361,0.5250753889383867,0.462785278596395,0.5260862860667535,0.5087082790761428
EOS-2-26372,Cc1nc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4ccn(C)n4)cc3)n12,NDBFDVTVRNTHSU-UHFFFAOYSA-N,2,1,0.518,43,22,431.887,4.128,5,0.389,0.65,1.0,0.6248029607292166,0.5815999588787609,0.5815228565554109,0.5131844972928518,0.5752775683640601
EOS-2-26373,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,ILIOGGREGHKDSP-UHFFFAOYSA-N,2,1,0.566,15,626,431.887,3.862,5,0.379,0.73,1.0,0.9033308203687205,0.8040230278939072,0.6333784524707011,0.6091940237132479,0.7374815811116442
EOS-2-26374,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)nn1,VDTJTOXSSDQGMO-UHFFFAOYSA-N,2,1,0.764,91,309,431.887,3.862,5,0.406,0.79,1.0,0.7661229525049689,0.8692087588239326,0.5911606469741622,0.6124580220683983,0.7097375950928655
EOS-2-26375,Cn1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccccn1,FARRXNQUKIWNBR-UHFFFAOYSA-N,2,1,0.494,58,578,431.887,3.862,5,0.379,0.64,1.0,0.6603385648687548,0.5709427044068262,0.5421235693235557,0.5397248303748886,0.5782824172435063
EOS-2-26376,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2)cn1,QJQPRRNWHWIEFU-UHFFFAOYSA-N,2,1,0.583,15,519,431.887,3.862,5,0.406,0.76,1.0,0.6847971352203414,0.7574617915153177,0.5911692138989788,0.5879052155438284,0.6553333390446165
EOS-2-26377,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1Cl,YBBSYOSJPSZKQE-UHFFFAOYSA-N,2,1,0.62,35,619,431.887,3.862,5,0.406,0.72,1.0,0.7150640805976287,0.6728462751010897,0.6009269412651634,0.5941847714344459,0.6457555170995819
EOS-2-26378,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)n1,RTZMJALRERKJNX-UHFFFAOYSA-N,2,1,0.561,15,889,431.887,3.862,5,0.406,0.72,1.0,0.7632615996162018,0.7744757042012199,0.5755088753341101,0.5692807209923926,0.6706317250359811
EOS-2-26379,Cc1nc(-c2ccccn2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C,NTWGNHMICWFDRF-UHFFFAOYSA-N,2,1,0.535,4,32,431.887,4.128,5,0.416,0.73,1.0,0.7632701665410184,0.8233757110547598,0.25711911452265096,0.33227674593927764,0.5440104345144267
EOS-2-26380,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)cc2)n1,OXJVXYANJHXFRL-UHFFFAOYSA-N,2,1,0.554,15,889,431.887,3.862,5,0.379,0.63,1.0,0.8363717360016448,0.7917294907819888,0.545464670002056,0.5364950997190049,0.6775152491261737
EOS-2-26381,Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)n[nH]4)n23)c(Cl)n1,GDWHPYHFIRELAT-UHFFFAOYSA-N,2,1,0.477,19,963,431.887,4.16,5,0.406,0.65,1.0,0.5850866972791446,0.5709512713316428,0.4591957370982112,0.49917757521759987,0.5286028202316496
EOS-2-26382,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c1,ZIJPEGCLSIZPNF-UHFFFAOYSA-N,2,1,0.545,15,921,431.887,3.862,5,0.406,0.66,1.0,0.6878041258309917,0.6582054005894045,0.4558289356452608,0.47496744568569665,0.5692014769378384
EOS-2-26383,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)c1,FJRGJNLDCUFVGA-UHFFFAOYSA-N,2,1,0.74,75,276,431.887,3.862,5,0.406,0.74,1.0,0.7090243986018778,0.6777979576451237,0.5557449797820574,0.5723648139263929,0.628733037488863
EOS-2-26384,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n1,GKLXLMDYMDNMOG-UHFFFAOYSA-N,2,1,0.552,15,619,431.887,3.862,5,0.406,0.75,1.0,0.587990884791995,0.6582139675142211,0.5587434034678912,0.5593516551298746,0.5910749777259955
EOS-2-26385,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2)cn1,PMFLHDAQNFYCHH-UHFFFAOYSA-N,2,1,0.547,15,519,431.887,3.862,5,0.379,0.72,1.0,0.6304742649578507,0.7165461585909122,0.5522411075320403,0.5433829072716058,0.6106611095881022
EOS-2-26386,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cn1,UVFSZYOFMUQCBA-UHFFFAOYSA-N,2,1,0.622,18,73,431.887,3.862,5,0.406,0.75,1.0,0.4354139538071414,0.440014392433692,0.6009355081899801,0.612466588993215,0.5222076108560072
EOS-2-26387,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1,OURVTOVUYWAADB-UHFFFAOYSA-N,2,1,0.511,16,55,431.887,4.302,5,0.398,0.74,1.0,0.7181653073812624,0.5915204578164622,0.6333870193955178,0.6061270646288808,0.6372999623055309
EOS-2-26388,Cc1cc(-c2nnc3cncc(-c4cc(-c5cccc(=O)n5C)n(C)n4)n23)ccc1Cl,PJNYRCPVXNVVQD-UHFFFAOYSA-N,2,1,0.302,22,140,431.887,3.519,5,0.436,0.64,1.0,0.24360907408676583,0.36068466863134807,0.4732197930230964,0.5131930642176684,0.39767664998971963
EOS-2-26389,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1,RZQILHUMJLKWPG-UHFFFAOYSA-N,2,1,0.554,15,619,431.887,3.862,5,0.406,0.75,1.0,0.8952864779658694,0.7786306627373039,0.6190545541772325,0.6092025906380646,0.7255435713796176
EOS-2-26390,OCc1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)ccc1Cl,SMAUQTHCYHXPBQ-UHFFFAOYSA-N,2,1,0.561,43,230,431.883,4.307,5,0.433,0.73,1.0,0.8314200534576108,0.7831968336645878,0.9109896511548214,0.8985590432458365,0.8560413953807141
EOS-2-26391,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,GCSCIHWCCFMTJX-UHFFFAOYSA-N,2,1,0.694,1,326,431.883,5.296,5,0.376,0.82,1.0,0.9235573298608731,0.8908830786101021,0.7367812350078816,0.7157837022822288,0.8167513364402714
EOS-2-26392,N#Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)ccc1F,QMBKOGJUYVYOKG-UHFFFAOYSA-N,2,1,0.417,96,140,431.883,5.851,5,0.359,0.74,1.0,0.38432938112535125,0.7703036118155027,0.9665118908916456,0.979884860530464,0.7752574360907408
EOS-2-26393,Cc1cc(-c2nnc3cncc(OCc4c(-c5ccccc5)noc4C)n23)ccc1Cl,CQGFEAKWUHWFSD-UHFFFAOYSA-N,2,1,0.53,1,709,431.883,5.296,5,0.376,0.77,1.0,0.8056336097594408,0.7832054005894045,0.6248372284284833,0.6503323966828867,0.7160021588650538
EOS-2-26394,Cc1ccc(-c2nnc3cncc(OCc4c(-c5ccc(Cl)cc5)noc4C)n23)cc1,BCCZJKLZXNGFAN-UHFFFAOYSA-N,2,1,0.623,1,230,431.883,5.296,5,0.376,0.82,1.0,0.8823846891919677,0.8412120485230622,0.6515831677061202,0.6703018984305393,0.7613704509629224
EOS-2-26395,Fc1cc(Cl)ccc1-c1cc(-c2nnc3cncc(CCc4ccccn4)n23)ncn1,UFEAPUJYVTUAFS-UHFFFAOYSA-N,2,1,0.389,44,130,431.862,4.221,5,0.414,0.78,0.923,0.36585909122061544,0.5109656637653348,0.5911777808237955,0.7046038653964772,0.5431516003015557
EOS-2-26396,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)ccn1,URQOBFFDPXOQBZ-UHFFFAOYSA-N,2,1,0.694,57,326,431.858,5.225,5,0.357,0.83,1.0,0.9857189363306148,0.9838342128709479,0.947236310054143,0.9544667945994106,0.9678140634637791
EOS-2-26397,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ccc1Cl,MLAPGXPMCNKOAR-UHFFFAOYSA-N,2,1,0.61,57,198,431.858,5.225,5,0.381,0.83,1.0,0.9260588719073402,0.8826673977109177,0.92510794325269,0.9390977314783086,0.9182329860873141
EOS-2-26398,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,SKADHXNDGFWNKY-UHFFFAOYSA-N,2,1,0.571,57,326,431.858,5.225,5,0.381,0.82,1.0,0.9671801110273456,0.940142896305942,0.9402542663285587,0.9505859776574601,0.9495408128298266
EOS-2-26399,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,PQLMZRZCFAVXJX-UHFFFAOYSA-N,2,1,0.465,57,560,431.858,5.225,5,0.381,0.82,1.0,0.8266482763347269,0.8040315948187239,0.917706120211089,0.9382153382221917,0.8716503323966829
EOS-2-26400,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(Cl)c5)cc4)n23)cc1,XLBYOVZRXVDTEW-UHFFFAOYSA-N,2,1,0.694,57,326,431.858,5.225,5,0.381,0.82,1.0,0.9837485436227812,0.9656808991844288,0.9455571927900761,0.9558032348708108,0.9626974676170242
EOS-2-26401,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c1,ALXOGZAUZFTAAM-UHFFFAOYSA-N,2,1,0.645,57,461,431.858,5.225,5,0.381,0.85,1.0,0.9140566102391885,0.972585840586663,0.9251165101775067,0.9432098553903091,0.9387422040984168
EOS-2-26402,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cc1,IHFVIWKQWLTBMU-UHFFFAOYSA-N,2,1,0.58,57,23,431.858,5.225,5,0.357,0.84,1.0,0.7150726475224454,0.8542680419436639,0.9091648961688712,0.9305822082105407,0.8522719484613803
EOS-2-26403,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,OKWWQDHCAXJYML-UHFFFAOYSA-N,2,1,0.568,57,951,431.858,5.225,5,0.381,0.86,1.0,0.9705469124802961,0.9443406894661093,0.9333236241518744,0.9382239051470084,0.946608782811322
EOS-2-26404,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnc1-c1ccccc1,ICTIKLWOVIENQM-UHFFFAOYSA-N,2,1,0.653,57,709,431.858,5.225,5,0.381,0.8,1.0,0.9831145911863477,0.9783685148379138,0.8984134055239531,0.9210814885888562,0.9452445000342676
EOS-2-26405,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1,CBRZAOODUWWJQZ-UHFFFAOYSA-N,2,1,0.595,57,23,431.858,5.225,5,0.357,0.83,1.0,0.9260674388321568,0.9154530189843054,0.9389178260571586,0.94996915907066,0.9326018607360702
EOS-2-26406,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)cc2)nc1,WLBDVZZXPWEQAB-UHFFFAOYSA-N,2,1,0.68,57,951,431.858,5.225,5,0.381,0.83,1.0,0.9775032554314304,0.9577907614282777,0.9333321910766911,0.9424988006305257,0.9527812521417311
EOS-2-26407,Cc1cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Oc2ccccc2F)cn1,XZASMYASKRWWFZ-UHFFFAOYSA-N,2,1,0.38,83,533,431.858,5.747,5,0.362,0.79,1.0,0.5710540744294428,0.8271794256733603,0.9268641628401069,0.9339233088890412,0.8147552429579877
EOS-2-26408,Fc1ccc(-c2nnc3cncc(OCc4ccncc4)n23)cc1-c1ccc(Cl)cc1,LJWVGWCTLWSEKP-UHFFFAOYSA-N,2,1,0.658,57,798,431.858,5.225,5,0.381,0.83,1.0,0.9518624494551435,0.9639246795970119,0.9496778836268933,0.9582619422931944,0.9559317387430608
EOS-2-26409,Fc1ccccc1COc1cncc2nnc(-c3ccc(-c4cnccc4Cl)cc3)n12,ZHLSWYBTWAEGED-UHFFFAOYSA-N,2,1,0.577,57,326,431.858,5.225,5,0.381,0.82,1.0,0.9741707216777465,0.9443492563909259,0.9472448769789596,0.9582705092180112,0.9560088410664108
EOS-2-26410,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c1,YEKCJKUNLVNDAL-UHFFFAOYSA-N,2,1,0.6,57,709,431.858,5.225,5,0.381,0.79,1.0,0.8934274552806525,0.8854516482763347,0.9224693304091564,0.937435748063875,0.9096960455075047
EOS-2-26411,Fc1ccnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,RTYDTAVFCSEUNG-UHFFFAOYSA-N,2,1,0.649,57,709,431.858,5.225,5,0.381,0.82,1.0,0.977511822356247,0.9778544993489137,0.9310019875265575,0.9456171612637927,0.9579963676238776
EOS-2-26412,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)c2)nc1,NRANHZPAMZJQNG-UHFFFAOYSA-N,2,1,0.625,57,709,431.858,5.225,5,0.381,0.83,1.0,0.9260760057569735,0.8981992324035364,0.9276180522239736,0.9408111164416421,0.9231761017065314
EOS-2-26413,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccccc1,ACKXVHDGZPMLNS-UHFFFAOYSA-N,2,1,0.623,57,347,431.858,5.225,5,0.381,0.78,1.0,0.8526231923788636,0.9094476046878213,0.9109982180796381,0.9315074360907408,0.901144112809266
EOS-2-26414,COc1cc(-c2ncccc2Cl)ccc1-c1cncc2nnc(-c3ccccc3F)n12,YGUPUQGNHGDKJE-UHFFFAOYSA-N,2,1,0.421,96,46,431.858,5.321,5,0.385,0.83,1.0,0.47071825097662945,0.5763741347405935,0.9061836063326708,0.9146648619011719,0.7169852134877664
EOS-2-26415,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)cc1,YIHJRNMMIJYYKR-UHFFFAOYSA-N,2,1,0.676,57,23,431.858,5.225,5,0.381,0.83,1.0,0.9767579329723802,0.9551178808854773,0.9395603454184086,0.9525306695908436,0.9559917072167774
EOS-2-26416,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1,RLFAEJPUVWOKLJ-UHFFFAOYSA-N,2,1,0.635,57,461,431.858,5.225,5,0.381,0.85,1.0,0.9154016174354054,0.9757984373929134,0.9302223973682407,0.9472191762045097,0.9421604071002673
EOS-2-26417,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4ccncc4)cc3)n12,QMMRFPYKYDQLHR-UHFFFAOYSA-N,2,1,0.581,57,671,431.858,5.225,5,0.381,0.84,1.0,0.8592282914125146,0.8934959906791858,0.9348742375436914,0.9456257281886095,0.9083060619560004
EOS-2-26418,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)cc1,NUJMCUMBGFHOIM-UHFFFAOYSA-N,2,1,0.59,83,23,431.858,5.225,5,0.357,0.85,1.0,0.9033393872935371,0.9360050716194914,0.914793365773422,0.9329895140840244,0.9217818346926188
EOS-2-26419,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4cccnc4)cc3)n12,HCOYUVAIOVOGRW-UHFFFAOYSA-N,2,1,0.558,57,326,431.858,5.225,5,0.381,0.83,1.0,0.8526317593036804,0.8959461311767528,0.9302309642930574,0.9432184223151258,0.9055068192721542
EOS-2-26420,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)ccc1Cl,DKAFSJJUZXNGQM-UHFFFAOYSA-N,2,1,0.61,57,560,431.858,5.225,5,0.381,0.84,1.0,0.904787197587554,0.8412206154478789,0.9251250771023234,0.9408196833664588,0.9029881433760538
EOS-2-26421,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)cc2)nc1,FZUSLRVCAAWAKB-UHFFFAOYSA-N,2,1,0.57,57,709,431.858,5.225,5,0.381,0.87,1.0,0.9705554794051128,0.9539956137344938,0.9294085395106573,0.9415992735247756,0.9488897265437599
EOS-2-26422,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)cc3)n12,DHOIGCBLHHQZHP-UHFFFAOYSA-N,2,1,0.653,57,326,431.858,5.225,5,0.381,0.87,1.0,0.9811956000274141,0.9614574052498115,0.9466794599410595,0.9564971557809608,0.9614574052498115
EOS-2-26423,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)ccn2)cc1,GLNBTONCQQWPBU-UHFFFAOYSA-N,2,1,0.667,57,709,431.858,5.225,5,0.381,0.85,1.0,0.9525649372901104,0.9313189637447742,0.9317730107600576,0.9479302309642931,0.9408967856898087
EOS-2-26424,Fc1cccc(-c2cnccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,AYJGVUHNIYTROL-UHFFFAOYSA-N,2,1,0.632,57,798,431.858,5.225,5,0.381,0.84,1.0,0.9800047974778974,0.9826348433966143,0.9395689123432253,0.9544753615242273,0.9641709786854911
EOS-2-26425,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)cn4)n23)cc1,MHIIQRCLTHYIHP-UHFFFAOYSA-N,2,1,0.645,57,461,431.858,5.225,5,0.381,0.82,1.0,0.9064920156260708,0.9530618189294771,0.9241912822973065,0.9432269892399424,0.9317430265231992
EOS-2-26426,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1,MWWNPBBRCZVMRR-UHFFFAOYSA-N,2,1,0.69,57,798,431.858,5.225,5,0.381,0.87,1.0,0.9826519772462476,0.9791566719210473,0.9302395312178741,0.9440151463230758,0.9590158316770612
EOS-2-26427,COc1cnc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)c(Cl)c1,LPTOEXRMVSEGHP-UHFFFAOYSA-N,2,1,0.385,83,558,431.858,5.321,5,0.385,0.88,1.0,0.5625299842368583,0.7349993146460146,0.9119577136591049,0.9273610444794737,0.7842120142553629
EOS-2-26428,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccccc1,BASKAJVVRCALNI-UHFFFAOYSA-N,2,1,0.575,57,461,431.858,5.225,5,0.381,0.82,1.0,0.9444606264135426,0.9752844219039134,0.8701596874785826,0.903236584195737,0.923285329997944
EOS-2-26429,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccccn1,BEUDDHAPTCTJLX-UHFFFAOYSA-N,2,1,0.68,57,709,431.858,5.225,5,0.381,0.82,1.0,0.9876036597902816,0.9834915358782811,0.9317815776848742,0.9432355561647591,0.961528082379549
EOS-2-26430,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)nc1,VXHZVIRJNCHWCX-UHFFFAOYSA-N,2,1,0.645,57,709,431.858,5.225,5,0.381,0.83,1.0,0.9691333698855459,0.9508858200260435,0.9286460832019738,0.9408282502912755,0.9473733808512097
EOS-2-26431,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,VSVQLHCFHUHPET-UHFFFAOYSA-N,2,1,0.704,57,326,431.858,5.225,5,0.357,0.85,1.0,0.987363785895415,0.9829175519155644,0.9472534439037763,0.9530960866287438,0.9676577170858749
EOS-2-26432,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)c1,ZACJZXPNWWCTJG-UHFFFAOYSA-N,2,1,0.595,57,461,431.858,5.225,5,0.381,0.78,1.0,0.7514735110684668,0.8660646974162155,0.9061921732574875,0.9273696114042903,0.8627749982866151
EOS-2-26433,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cc4)n23)ccc1Cl,KPWCSSABWJZNNC-UHFFFAOYSA-N,2,1,0.649,57,326,431.858,5.225,5,0.381,0.82,1.0,0.9691419368103625,0.9763809882804468,0.9515197724624769,0.9565057227057775,0.9633871050647659
EOS-2-26434,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,DJVNENYBDCCCJZ-UHFFFAOYSA-N,2,1,0.671,57,798,431.858,5.225,5,0.381,0.79,1.0,0.9834058666301144,0.9835001028030979,0.9110067850044548,0.9329980810088411,0.952727708861627
EOS-2-26435,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)cc1,UGSLYSDAKOJVHS-UHFFFAOYSA-N,2,1,0.644,57,137,431.858,5.225,5,0.381,0.83,1.0,0.8968285244328695,0.9052069769035707,0.9455657597148928,0.9595298471660613,0.9267827770543485
EOS-2-26436,Fc1cccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,QCCPMKQRANLIOB-UHFFFAOYSA-N,2,1,0.636,57,461,431.858,5.225,5,0.381,0.84,1.0,0.8823932561167843,0.9707696525255294,0.9259817695839901,0.9448547049551093,0.9309998457953532
EOS-2-26437,Fc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cn4)c3)n12,INAAHJSMJYVHHX-UHFFFAOYSA-N,2,1,0.53,57,709,431.858,5.225,5,0.381,0.76,1.0,0.9235658967856898,0.8935045576040025,0.9234116921389898,0.9374443149886916,0.9194816153793435
EOS-2-26438,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)cn5)c4)n23)cc1,HPVHTWUHSDKVOE-UHFFFAOYSA-N,2,1,0.667,57,709,431.858,5.225,5,0.381,0.78,1.0,0.980373175245014,0.9699986292920293,0.9286546501267905,0.9408368172160921,0.9549658179699815
EOS-2-26439,Fc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccc(Cl)cc4)n23)cc1,YKLKTUPKSJYGSO-UHFFFAOYSA-N,2,1,0.671,57,798,431.858,5.225,5,0.381,0.78,1.0,0.9823692687272977,0.9758070043177302,0.9110153519292715,0.9330066479336577,0.9505495682269892
EOS-2-26440,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccncc5Cl)n34)c2)cc1,GOBNNBILYYSJCL-UHFFFAOYSA-N,2,1,0.59,57,962,431.858,5.225,5,0.381,0.86,1.0,0.927352477554657,0.9133626893290384,0.9430385168939758,0.9558118017956274,0.9348913713933247
EOS-2-26441,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2)cc1,OBEQRYFQTBGPAO-UHFFFAOYSA-N,2,1,0.658,57,23,431.858,5.225,5,0.357,0.85,1.0,0.977820231649647,0.9639332465218285,0.9430470838187924,0.9519309848536769,0.9591828867109862
EOS-2-26442,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)nc1,YOESZUZCONQMJJ-UHFFFAOYSA-N,2,1,0.636,57,23,431.858,5.225,5,0.381,0.83,1.0,0.745459529847166,0.8801915564389007,0.9194794736481393,0.9391062984031252,0.8710592145843328
EOS-2-26443,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cn1,GLQPYMHBZJQIKT-UHFFFAOYSA-N,2,1,0.69,57,23,431.858,5.225,5,0.357,0.86,1.0,0.9755928311973134,0.9569512027962442,0.9416763758481256,0.9492666712356932,0.9558717702693442
EOS-2-26444,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,BOOKOBCLHYAIRV-UHFFFAOYSA-N,2,1,0.667,57,326,431.858,5.225,5,0.357,0.81,1.0,0.9778287985744637,0.980501679117264,0.9436553354807758,0.9519395517784935,0.9634813412377492
EOS-2-26445,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccncc1,XMRRDHDDLCUESM-UHFFFAOYSA-N,2,1,0.729,57,798,431.858,5.225,5,0.381,0.82,1.0,0.9710694948941128,0.9808871907340141,0.9520766225755602,0.9601637996024946,0.9660492769515454
EOS-2-26446,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1,YKHSIEUMHWEXNB-UHFFFAOYSA-N,2,1,0.694,57,326,431.858,5.225,5,0.381,0.82,1.0,0.9849307792474813,0.9808957576588307,0.9455743266397094,0.9565142896305942,0.966978788294154
EOS-2-26447,Fc1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,NHAFNBHQXHYMHP-UHFFFAOYSA-N,2,1,0.658,57,326,431.858,5.225,5,0.381,0.8,1.0,0.9759697758892468,0.9783770817627304,0.9424559660064423,0.9551692824343774,0.9629930265231992
EOS-2-26448,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cc1,ICBWFIHWROKHOF-UHFFFAOYSA-N,2,1,0.579,57,560,431.858,5.225,5,0.381,0.87,1.0,0.8681378932218491,0.8412291823726955,0.9302480981426907,0.9492752381605098,0.8972226029744363
EOS-2-26449,Cc1ncc(-c2ccc(O)c(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1F,RMNDXHIPRVUANZ-UHFFFAOYSA-N,2,1,0.385,96,46,431.858,5.327,5,0.418,0.84,1.0,0.4832173942841478,0.739788225618532,0.9366904256048249,0.9440237132478926,0.7759299396888493
EOS-2-26450,Fc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cn4)cc3)n12,WBKHIKYDGNPKON-UHFFFAOYSA-N,2,1,0.57,57,709,431.858,5.225,5,0.381,0.8,1.0,0.9733140291960798,0.9530703858542937,0.9286632170516071,0.9399458570351586,0.9487483722842848
EOS-2-26451,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)cc5)n4)n23)cc1,PRIZZOFWFDYCAP-UHFFFAOYSA-N,2,1,0.59,57,461,431.858,5.225,5,0.381,0.82,1.0,0.9343944897539579,0.9607463504900281,0.9030138441505038,0.9263330135014735,0.9311219244739908
EOS-2-26452,Fc1ncccc1-c1ccccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,URKPHHLLGDKXSY-UHFFFAOYSA-N,2,1,0.636,57,709,431.858,5.225,5,0.357,0.83,1.0,0.9858645740524982,0.9823007333287643,0.9294171064354739,0.9399544239599753,0.9593842094441779
EOS-2-26453,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1,RAGIKZATFMYEJE-UHFFFAOYSA-N,2,1,0.645,57,798,431.858,5.225,5,0.381,0.88,1.0,0.97524158727983,0.9773661846343636,0.9259903365088068,0.9408453841409088,0.9548608731409773
EOS-2-26454,Fc1cccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)cn4)n23)c1,HBXODLBQFHZJCU-UHFFFAOYSA-N,2,1,0.676,57,461,431.858,5.225,5,0.381,0.84,1.0,0.7273918854088136,0.8412377492975122,0.9177146871359056,0.9382324720718251,0.8561441984785141
EOS-2-26455,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)ccc1Cl,KLMUWIGQAKYVBK-UHFFFAOYSA-N,2,1,0.712,57,709,431.858,5.225,5,0.381,0.83,1.0,0.9714464395860462,0.9297854842025907,0.9310105544513742,0.939962990884792,0.9430513672812008
EOS-2-26456,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccccc1,HVYJBCYGNYPRRV-UHFFFAOYSA-N,2,1,0.575,57,461,431.858,5.225,5,0.381,0.79,1.0,0.9444691933383592,0.9743591940237133,0.9128486738400384,0.9339318758138578,0.9414022342539922
EOS-2-26457,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,DNIUQVWHWIWLCJ-UHFFFAOYSA-N,2,1,0.518,57,709,431.858,5.225,5,0.381,0.83,1.0,0.9166866561579056,0.9191453635802892,0.9214927009800562,0.9339404427386745,0.9228162908642313
EOS-2-26458,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)cc1,BZXGORRHLUQASW-UHFFFAOYSA-N,2,1,0.69,57,23,431.858,5.225,5,0.357,0.84,1.0,0.9759783428140635,0.9540041806593106,0.9409310533890755,0.9492838050853266,0.9550493454869441
EOS-2-26459,Fc1cccc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,QFZVNNCZXUYNAE-UHFFFAOYSA-N,2,1,0.628,57,798,431.858,5.225,5,0.381,0.79,1.0,0.9763724213556302,0.982309300253581,0.9051041738057707,0.9294599410595573,0.9483114591186348
EOS-2-26460,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)cn2)c1,SDXVTNAQHCXYNB-UHFFFAOYSA-N,2,1,0.518,57,709,431.858,5.225,5,0.381,0.8,1.0,0.9065005825508875,0.9329980810088411,0.9241998492221233,0.9440322801727092,0.9269326982386403
EOS-2-26461,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)ccc1Cl,ARDKMAOBCGWYED-UHFFFAOYSA-N,2,1,0.645,57,951,431.858,5.225,5,0.381,0.84,1.0,0.9790281680487972,0.9795850181618806,0.9375042834624083,0.9425073675553424,0.959656209307107
EOS-2-26462,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)n1,GZQRHLLVZFRVLN-UHFFFAOYSA-N,2,1,0.59,83,23,431.858,5.225,5,0.357,0.83,1.0,0.9047957645123706,0.9401514632307587,0.9157699952025221,0.9321756562264409,0.923223219793023
EOS-2-26463,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)c1,KFVODWULHBALEN-UHFFFAOYSA-N,2,1,0.636,57,798,431.858,5.225,5,0.381,0.86,1.0,0.9803817421698308,0.9829261188403811,0.9294256733602906,0.9456342951134261,0.9595919573709821
EOS-2-26464,Fc1cc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)ccc1Cl,VKHZQXKAYJFCNJ-UHFFFAOYSA-N,2,1,0.588,57,709,431.858,5.225,5,0.381,0.74,1.0,0.9744791309711466,0.97436776094853,0.9019087108491536,0.9190168597080393,0.9424431156192172
EOS-2-26465,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccccc4Cl)n23)cc1,DSRKWHKNDBIKGG-UHFFFAOYSA-N,2,1,0.556,57,709,431.858,5.225,5,0.381,0.81,1.0,0.8363803029264615,0.9113665958467548,0.8936330614762524,0.9231889520937564,0.8911422280858063
EOS-2-26466,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)cc1,KXOADNAWQFRYOA-UHFFFAOYSA-N,2,1,0.68,57,951,431.858,5.225,5,0.381,0.82,1.0,0.9778373654992804,0.9577993283530943,0.9325440339935577,0.942515934480159,0.952674165581523
EOS-2-26467,Fc1ncccc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,FKDBUMPPOTYMBN-UHFFFAOYSA-N,2,1,0.649,57,326,431.858,5.225,5,0.357,0.84,1.0,0.9806644506887807,0.9805102460420807,0.937512850387225,0.9464824206702762,0.9612924919470907
EOS-2-26468,Fc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)cc3)n12,BPMXGAKFYFAQBC-UHFFFAOYSA-N,2,1,0.577,1,326,431.858,5.225,5,0.357,0.85,1.0,0.9724916044136797,0.9540127475841272,0.9430556507436091,0.9505945445822768,0.9550386368309232
EOS-2-26469,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4cccnc4)c3)n12,PSRIRFYFRLYYIZ-UHFFFAOYSA-N,2,1,0.566,57,326,431.858,5.225,5,0.381,0.85,1.0,0.9273610444794737,0.9671115756288123,0.9381553697484751,0.9492923720101433,0.9454800904667261
EOS-2-26470,Fc1ccccc1-c1nnc2cncc(OCc3ccc(-c4cccc(Cl)c4)nc3)n12,GJBFEELTNYAEDJ-UHFFFAOYSA-N,2,1,0.542,57,709,431.858,5.225,5,0.381,0.82,1.0,0.8681464601466657,0.8959546981015695,0.9110239188540882,0.9315160030155575,0.9016602700294701
EOS-2-26471,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nc1,PYHYMODOTOUPCP-UHFFFAOYSA-N,2,1,0.667,57,709,431.858,5.225,5,0.381,0.79,1.0,0.9815297100952642,0.982643410321431,0.9286717839764238,0.9416078404495922,0.9586131862106777
EOS-2-26472,Fc1ccc(COc2cncc3nnc(-c4ccccc4Cl)n23)c(-c2ccccn2)c1,BBNRKLYXMAZOMW-UHFFFAOYSA-N,2,1,0.529,57,709,431.858,5.225,5,0.381,0.85,1.0,0.8434651497498458,0.9113751627715715,0.9072630388595709,0.929468507984374,0.8978929648413406
EOS-2-26473,COc1ncccc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)c(F)c3)n12,WKUIJDVQQRKKJG-UHFFFAOYSA-N,2,1,0.373,83,533,431.858,5.321,5,0.385,0.87,1.0,0.5850952642039613,0.7703121787403193,0.9157785621273388,0.922323692687273,0.798377424439723
EOS-2-26474,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(Cl)c5)c4)n23)cc1,UHUYRFHOGNSIPJ-UHFFFAOYSA-N,2,1,0.64,57,798,431.858,5.225,5,0.381,0.84,1.0,0.9714550065108628,0.957807895277911,0.9395774792680419,0.955177849359194,0.9560045576040025
EOS-2-26475,COc1cccc(-c2ccc(-c3nnc4cncc(-c5ccnc(Cl)c5)n34)cc2F)c1,ZIOCOVXPIGTDMU-UHFFFAOYSA-N,2,1,0.39,96,558,431.858,5.321,5,0.36,0.85,1.0,0.5263946953601535,0.6537163319854705,0.947801727092043,0.9464909875950929,0.76860093550819
EOS-2-26476,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1,RGLAAEDQJGKLIG-UHFFFAOYSA-N,2,1,0.689,57,326,431.858,5.225,5,0.357,0.85,1.0,0.9784370502364471,0.9578164622027278,0.9461483106024261,0.9525392365156603,0.9587352648893153
EOS-2-26477,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cccnc1,UMKWZOJWXOABIL-UHFFFAOYSA-N,2,1,0.708,57,798,431.858,5.225,5,0.381,0.86,1.0,0.9793794119662805,0.9819580563360976,0.9483585772051264,0.957730792954561,0.9668567096155164
EOS-2-26478,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)c2)nc1,YILRSYNNNTUNFR-UHFFFAOYSA-N,2,1,0.6,57,709,431.858,5.225,5,0.381,0.8,1.0,0.889829346857652,0.8854602152011514,0.9234202590638064,0.9382410389966418,0.909237715029813
EOS-2-26479,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)cn1,BAMFDGXUVYQUFJ-UHFFFAOYSA-N,2,1,0.59,57,913,431.858,5.747,5,0.362,0.84,1.0,0.9235744637105064,0.9656894661092454,0.9448975395791926,0.9485641834007265,0.9456814131999177
EOS-2-26480,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)c2)cn1,KJPNELWGNPVFGL-UHFFFAOYSA-N,2,1,0.633,57,962,431.858,5.225,5,0.357,0.83,1.0,0.9166952230827222,0.9003409636077033,0.9430642176684257,0.9512627647179769,0.927840792269207
EOS-2-26481,Cc1ccc(-c2cncc3nnc(-c4ccc(F)cc4)n23)c(Oc2ccc(Cl)cc2)n1,OHHMGDWFEWCAHG-UHFFFAOYSA-N,2,1,0.47,83,533,431.858,5.747,5,0.362,0.88,1.0,0.6510263175930368,0.8542766088684806,0.9006493729011035,0.9113580289219382,0.8293275820711397
EOS-2-26482,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)c1,MSIYPSSPBULKPM-UHFFFAOYSA-N,2,1,0.506,57,709,431.858,5.225,5,0.381,0.77,1.0,0.8434737166746624,0.8959632650263861,0.8820934137482009,0.9102186279213214,0.8829372558426427
EOS-2-26483,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)c1,FXBLSOAGBZZAAP-UHFFFAOYSA-N,2,1,0.645,57,23,431.858,5.225,5,0.381,0.81,1.0,0.8434822835994791,0.9247138647111233,0.9203961346035228,0.9391148653279419,0.9069267870605167
EOS-2-26484,Fc1cccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,XDJIRYOPLMRWHH-UHFFFAOYSA-N,2,1,0.58,57,461,431.858,5.225,5,0.381,0.83,1.0,0.9125916660955383,0.9731341237749298,0.8961517373723529,0.923197519018573,0.9262687615653484
EOS-2-26485,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cc1,TUBATFMOUXNXTM-UHFFFAOYSA-N,2,1,0.632,57,962,431.858,5.225,5,0.357,0.84,1.0,0.9260845726817901,0.902671167157837,0.9366989925296415,0.9472277431293263,0.9281706188746487
EOS-2-26486,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4ccccn4)c3)n12,DXEWRFLLLMZEFM-UHFFFAOYSA-N,2,1,0.56,57,709,431.858,5.225,5,0.381,0.81,1.0,0.9413679665547255,0.9707782194503461,0.919488040572956,0.9321842231512576,0.9409546124323214
EOS-2-26487,Fc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,SRFOWBYUZWAUMP-UHFFFAOYSA-N,2,1,0.64,57,798,431.858,5.225,5,0.381,0.84,1.0,0.9733225961208964,0.9763895552052635,0.9402628332533753,0.9551864162840107,0.9612903502158865
EOS-2-26488,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)c1,MVPHCLCLLDYQQQ-UHFFFAOYSA-N,2,1,0.653,57,326,431.858,5.225,5,0.357,0.85,1.0,0.9787882941539305,0.9530789527791104,0.942464532931259,0.9506031115070934,0.9562337228428484
EOS-2-26489,Clc1cc(CCOc2cncc3nnc(-c4cnc(-c5cncnc5)cn4)n23)ccn1,SUMWIGVPEFXWAN-UHFFFAOYSA-N,2,1,0.461,65,435,431.847,2.708,5,0.374,0.6,1.0,0.6193800973202659,0.6680059625796724,0.30829792337742445,0.3387105064765952,0.4835986224384895
EOS-2-26490,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)n1,HJLITSJZTFMFDC-UHFFFAOYSA-N,2,1,0.4,7,85,431.847,2.974,5,0.387,0.62,1.0,0.5879994517168118,0.6537248989102872,0.18023953121787403,0.18920053457610855,0.40279110410527036
EOS-2-26491,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)cn1,NWJJGEKPUWOANH-UHFFFAOYSA-N,2,1,0.4,51,113,431.847,2.974,5,0.413,0.66,0.718,0.5939363306147625,0.502270235076417,0.33046055787814405,0.3166335412240422,0.43582516619834144
EOS-2-26492,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cnn2)cn1,LCYISOQSMQVDSZ-UHFFFAOYSA-N,2,1,0.419,55,565,431.847,2.974,5,0.387,0.57,1.0,0.5390223425399219,0.5709598382564595,0.33046912480296076,0.3322853128640943,0.44318415461585914
EOS-2-26493,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)nn4)n23)c1,KXBBEFYFZXVTFR-UHFFFAOYSA-N,2,1,0.435,65,411,431.847,2.708,5,0.4,0.7,0.997,0.6758018641628402,0.6537334658351038,0.27921321362483725,0.3356092796929614,0.4860894558289357
EOS-2-26494,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)n1,LWTNHGUFPAIXHC-UHFFFAOYSA-N,2,1,0.444,54,411,431.847,2.708,5,0.4,0.66,0.748,0.5710626413542594,0.5962236995408128,0.10536460832019738,0.16451065725447195,0.35929040161743536
EOS-2-26495,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)cn1,TWULCIWLZBJEPM-UHFFFAOYSA-N,2,1,0.448,54,411,431.847,2.708,5,0.374,0.6,0.999,0.6758104310876568,0.6582225344390378,0.2213950380371462,0.2682047152354191,0.455908179699815
EOS-2-26496,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)nn1,SXCUOMLUTDDEBB-UHFFFAOYSA-N,2,1,0.474,58,579,431.847,2.708,5,0.4,0.68,1.0,0.6392896305942019,0.7917380577068056,0.1934240285107258,0.2296364197107806,0.4635220341306285
EOS-2-26497,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nn1,HBUMXDYYXWJKCZ-UHFFFAOYSA-N,2,1,0.436,53,602,431.847,2.708,5,0.4,0.73,0.99,0.5880080186416284,0.6485076416969364,0.14252792817490234,0.20908436707559455,0.3970319888972655
EOS-2-26498,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)cn1,IZBOFGKSTGPTNY-UHFFFAOYSA-N,2,1,0.358,51,48,431.847,2.974,5,0.387,0.73,1.0,0.46602357617709544,0.5022788020012336,0.22140360496196285,0.21525255294359535,0.3512396340209718
EOS-2-26499,Clc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5cncnc5)c4)n23)nc1,ZTNQQIDDDNPQRJ-UHFFFAOYSA-N,2,1,0.479,87,778,431.847,2.708,5,0.4,0.48,1.0,0.5967719827290796,0.6826468370913576,0.304802618052224,0.3483654307449798,0.4831467171544102
EOS-2-26500,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)cn1,RBPKBPYADDWBKJ-UHFFFAOYSA-N,2,1,0.415,7,296,431.847,2.974,5,0.413,0.69,0.965,0.5710712082790761,0.47502741415941335,0.29023027893907205,0.29158385306010554,0.40697818860941676
EOS-2-26501,Clc1cnnc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)c1,XDRFFQDOAQQWJQ-UHFFFAOYSA-N,2,1,0.467,75,454,431.847,2.708,5,0.4,0.62,1.0,0.6053217736961141,0.6728548420259064,0.2608114591186348,0.31353231444040847,0.46313009732026594
EOS-2-26502,Clc1ccnc(CCOc2cncc3nnc(-c4cnccc4-c4cncnc4)n23)n1,CUDFUMBKFGGFKS-UHFFFAOYSA-N,2,1,0.456,65,435,431.847,2.708,5,0.374,0.61,1.0,0.5710797752038929,0.6153879103556987,0.20754232060859434,0.2621907340141183,0.4140501850455761
EOS-2-26503,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)nc(C)n2)cn1,HVSQWYKYGPEQKA-UHFFFAOYSA-N,2,1,0.347,7,330,431.847,3.496,5,0.394,0.7,1.0,0.5238074840655198,0.4707268179014461,0.20390994448632718,0.2032674251250771,0.35042791789459254
EOS-2-26504,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cn1,XQPIHWROCLIJEG-UHFFFAOYSA-N,2,1,0.402,7,720,431.847,2.974,5,0.413,0.6,1.0,0.4240970461243232,0.46222842848331164,0.2428380508532657,0.2296449866355973,0.3397021280241245
EOS-2-26505,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)cnn2)cn1,ZPYXXSUHSNTOFY-UHFFFAOYSA-N,2,1,0.426,65,778,431.847,2.708,5,0.374,0.46,1.0,0.5763912685902268,0.7210009594955795,0.19343259543554245,0.24691590706599958,0.4344351826468371
EOS-2-26506,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cnn2)cn1,DWWRQLUYQCGLQC-UHFFFAOYSA-N,2,1,0.44,51,875,431.847,2.974,5,0.413,0.55,1.0,0.6137173600164485,0.5868686176410116,0.3717274347200329,0.3646425878966486,0.4842390000685354
EOS-2-26507,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)cn1,ZNRFCNPLACWYMB-UHFFFAOYSA-N,2,1,0.379,46,113,431.847,2.974,5,0.387,0.65,0.993,0.5625385511616751,0.5295301898430539,0.34520423548762935,0.3166421081488589,0.43847877116030426
EOS-2-26508,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)nn1,CFIOTOHPVMALGM-UHFFFAOYSA-N,2,1,0.484,75,420,431.847,2.708,5,0.4,0.63,1.0,0.6603471317935714,0.6485162086217532,0.1332756493729011,0.169950654513056,0.4030224110753204
EOS-2-26509,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ncn2)cn1,XUHAZRBPQVVLRG-UHFFFAOYSA-N,2,1,0.411,46,113,431.847,2.974,5,0.387,0.65,0.969,0.4265985881707902,0.4575337536837777,0.2571276814474676,0.24984579535329998,0.3477764546638339
EOS-2-26510,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)cn1,AYWQEFCDCBNQBU-UHFFFAOYSA-N,2,1,0.375,7,720,431.847,2.974,5,0.387,0.68,1.0,0.43797546432732504,0.48369714207388115,0.18669899252964156,0.18920910150092524,0.32439517510794325
EOS-2-26511,Clc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)nn2)c1,XFKBQNIELKAZFK-UHFFFAOYSA-N,2,1,0.402,65,658,431.847,2.708,5,0.4,0.7,0.898,0.5710883421287095,0.6199026797340826,0.18670755945445822,0.2588839010348845,0.4091456205880337
EOS-2-26512,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1,MFIGQJRDRAQUHK-UHFFFAOYSA-N,2,1,0.462,65,324,431.847,2.708,5,0.374,0.68,1.0,0.648053594681653,0.8040401617435405,0.14850764169693648,0.18630491398807483,0.4467265780275512
EOS-2-26513,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ccn2)cn1,UGTROWSJCGYJAO-UHFFFAOYSA-N,2,1,0.512,7,99,431.847,2.974,5,0.387,0.63,1.0,0.510700089096018,0.5341049276951545,0.23564183400726474,0.21225412925776163,0.37317524501404975
EOS-2-26514,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,ANSPUAORCSTMLY-UHFFFAOYSA-N,2,1,0.451,7,128,431.847,2.974,5,0.413,0.63,0.98,0.4036649304365705,0.4532245905009938,0.27158865053800285,0.2857155095606881,0.35354842025906374
EOS-2-26515,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c2)cn1,SCBWZWOTVMSWAE-UHFFFAOYSA-N,2,1,0.424,7,535,431.847,2.974,5,0.413,0.64,1.0,0.4858388732780481,0.557458364745391,0.2757350421492701,0.2651206223014187,0.39603822561853197
EOS-2-26516,Cc1c(Cl)cncc1COc1cncc2nnc(-c3cnc(-c4ccnnc4)nc3)n12,MNKWUSBMMQPNIR-UHFFFAOYSA-N,2,1,0.448,2,65,431.847,2.974,5,0.413,0.6,1.0,0.718173874306079,0.6055530806661641,0.345212802412446,0.34837399766979643,0.5043284387636214
EOS-2-26517,Clc1cnnc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,CWCGZOUAMCWHDW-UHFFFAOYSA-N,2,1,0.489,65,324,431.847,2.708,5,0.4,0.66,1.0,0.6166301144541155,0.8078610102117744,0.20048317455966005,0.25299842368583375,0.4694931807278459
EOS-2-26518,Clc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)cn1,MHRIACZZGFZMIJ-UHFFFAOYSA-N,2,1,0.406,18,194,431.847,2.708,5,0.4,0.66,0.836,0.5006682201357001,0.48830614762524843,0.20049174148447674,0.23843465149749846,0.35697519018573093
EOS-2-26519,N=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)n[nH]1,FJWCYQVIQXLGOS-UHFFFAOYSA-N,2,1,0.473,55,283,431.847,2.683,5,0.409,0.71,0.999,0.6696336782948393,0.5341134946199713,0.43021383044342404,0.39622883969570283,0.5075474607634843
EOS-2-26520,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)cn1,UTVXCPQRAGYMIB-UHFFFAOYSA-N,2,1,0.5,7,99,431.847,2.974,5,0.413,0.65,1.0,0.4735453361661298,0.5022873689260503,0.2284456171612638,0.2265009252278802,0.35769481187033103
EOS-2-26521,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)n1,NVAUONROYDKYDG-UHFFFAOYSA-N,2,1,0.472,7,99,431.847,2.974,5,0.413,0.7,1.0,0.49069631964909877,0.49301795627441575,0.22141217188677953,0.22965355356041395,0.358695000342677
EOS-2-26522,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nn1,BFYDDXIWIZLHMK-UHFFFAOYSA-N,2,1,0.495,65,324,431.847,2.708,5,0.4,0.69,1.0,0.6333013501473511,0.795361866904256,0.1802480981426907,0.22065828250291275,0.45739239942430265
EOS-2-26523,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)c[nH]1,USTZNBKUEAOJLT-UHFFFAOYSA-N,2,1,0.451,55,283,431.847,2.683,5,0.437,0.73,1.0,0.6788431224727571,0.5574669316702077,0.4341546158590912,0.4121033513809883,0.5206420053457611
EOS-2-26524,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)ccn1,ZOUKSVTYXBYINE-UHFFFAOYSA-N,2,1,0.424,18,194,431.847,2.708,5,0.374,0.62,1.0,0.6304828318826674,0.5526266191487903,0.2757436090740868,0.3040915632924405,0.44073615584949627
EOS-2-26525,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)c1,GHBRCRHQIGYOEX-UHFFFAOYSA-N,2,1,0.415,18,324,431.847,2.708,5,0.4,0.68,0.712,0.6362483722842849,0.5620845041463917,0.26082002604345145,0.30410013021725724,0.44081325817284633
EOS-2-26526,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)cn1,NWRRSLTYCQUVQN-UHFFFAOYSA-N,2,1,0.435,46,113,431.847,2.974,5,0.387,0.68,0.905,0.5939448975395792,0.4837057089986978,0.3377424439723117,0.3041086971420739,0.4298754369131657
EOS-2-26527,Clc1nc(-c2nnc3cncc(OCCc4ncccn4)n23)ncc1-c1cccnc1,WXTYSVNXFRRUQN-UHFFFAOYSA-N,2,1,0.402,65,795,431.847,2.708,5,0.374,0.6,1.0,0.5390309094647385,0.5482060859433897,0.09060379686107875,0.1391268590226852,0.32924191282297305
EOS-2-26528,Clc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ncncn5)c4)n23)c1,GIAWBOUWYBAEEF-UHFFFAOYSA-N,2,1,0.505,65,131,431.847,2.708,5,0.4,0.67,1.0,0.7888510040435885,0.7614282777054349,0.3195291618120759,0.3450414639161127,0.553712476869303
EOS-2-26529,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ccn2)cn1,UURABFZZKWHMMQ-UHFFFAOYSA-N,2,1,0.433,51,441,431.847,2.974,5,0.387,0.71,1.0,0.5820283051195942,0.6055616475909807,0.22845418408608045,0.21781406346377905,0.4084645500651086
EOS-2-26530,Cc1cnc(-c2ncnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,BAOMEWAFKSHGFB-UHFFFAOYSA-N,2,1,0.529,7,839,431.847,2.974,5,0.413,0.71,1.0,0.7776368994585704,0.8959718319512028,0.15457302446713728,0.2062744157357275,0.5086140429031595
EOS-2-26531,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)cn1,WNENARFDINYXHM-UHFFFAOYSA-N,2,1,0.44,7,296,431.847,2.974,5,0.413,0.66,0.725,0.43542252073195803,0.4622369954081283,0.24640189157699952,0.2530069906106504,0.3492670995819341
EOS-2-26532,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cnnc(Cl)c5)n34)cn2)n1,KVJKVFRQNCUVLG-UHFFFAOYSA-N,2,1,0.446,55,283,431.847,2.974,5,0.413,0.62,1.0,0.6480621616064698,0.6537420327599205,0.2867178397642382,0.27981289836200396,0.4670837331231581
EOS-2-26533,Cc1cc(Cl)nc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1,DACBJKMONPWMDU-UHFFFAOYSA-N,2,1,0.411,7,540,431.847,2.974,5,0.387,0.71,1.0,0.5625471180864917,0.672863408950723,0.17703550133644028,0.18106195600027414,0.39837699609348226
EOS-2-26534,Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5cnc(Cl)nc5)c4)n23)cn1,PLZZUWXIQSLKCD-UHFFFAOYSA-N,2,1,0.488,7,535,431.847,2.974,5,0.387,0.74,1.0,0.5238160509903365,0.5526351860736071,0.2830511959427044,0.24423445959838255,0.40093422315125765
EOS-2-26535,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)cn1,BYOFOGYANDKZLE-UHFFFAOYSA-N,2,1,0.456,7,296,431.847,2.974,5,0.387,0.66,0.955,0.5596943321225413,0.45323315742581044,0.2938026865876225,0.27982146528682067,0.39663791035569873
EOS-2-26536,Clc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)c1,HUDBEPJMWUWZAA-UHFFFAOYSA-N,2,1,0.427,18,296,431.847,2.708,5,0.4,0.69,0.719,0.5710969090535262,0.5203807141388527,0.21765129189226234,0.26821328216023577,0.3943355493112193
EOS-2-26537,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccnc5Cl)n34)ncn2)cn1,FKHQXXFJNALQFM-UHFFFAOYSA-N,2,1,0.381,7,296,431.847,2.974,5,0.387,0.64,0.819,0.5737355218970598,0.4837142759235145,0.2642296621204852,0.2682218490850524,0.397475327256528
EOS-2-26538,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)n1,MFLLNVKSUMXURX-UHFFFAOYSA-N,2,1,0.398,18,194,431.847,2.708,5,0.374,0.64,0.866,0.5339507230484545,0.49785826879583306,0.1867161263792749,0.23245493797546432,0.3627450140497567
EOS-2-26539,Clc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)cn1,MLFMBXHFLHSBKG-UHFFFAOYSA-N,2,1,0.518,65,778,431.847,2.708,5,0.374,0.51,1.0,0.6449952025221026,0.7303560413953807,0.32683674868069357,0.3356178466177781,0.5094514598039888
EOS-2-26540,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)nc4)n23)c1,IWCFAFBAGGHYTC-UHFFFAOYSA-N,2,1,0.511,65,981,431.847,2.708,5,0.4,0.69,1.0,0.8338016585566445,0.8377081762730451,0.3157854156671921,0.3614728257144815,0.5871920190528408
EOS-2-26541,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,NUPZVZXOOMDHAF-UHFFFAOYSA-N,2,1,0.383,92,182,431.847,2.974,5,0.387,0.66,1.0,0.5290675759029538,0.5295387567678707,0.37173600164484955,0.35787471729148107,0.44705426290178873
EOS-2-26542,Clc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)nn2)c1,RUSCESPVBCNQPQ-UHFFFAOYSA-N,2,1,0.402,53,411,431.847,2.708,5,0.4,0.66,0.908,0.5909636077033787,0.6242889452402166,0.17393427455280652,0.25618531971763414,0.41134303680350903
EOS-2-26543,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)n1,PHNWPDOKSQKFHW-UHFFFAOYSA-N,2,1,0.458,65,279,431.847,2.708,5,0.4,0.69,1.0,0.6603556987183881,0.7917466246316223,0.19685079843739292,0.232463504900281,0.47035415667192104
EOS-2-26544,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)ncn4)n23)c1,BDKYLIOYGVBDRO-UHFFFAOYSA-N,2,1,0.426,18,194,431.847,2.708,5,0.4,0.62,0.987,0.6392981975190186,0.6055702145157974,0.3195377287368926,0.3578832842162977,0.48057235624700156
EOS-2-26545,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,WXOWWOLKXGPTPG-UHFFFAOYSA-N,2,1,0.398,7,587,431.847,2.974,5,0.413,0.68,1.0,0.43106195600027414,0.4532417243506271,0.25713624837228427,0.24985436227811664,0.34782357275032555
EOS-2-26546,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)cn1,PIBZOFRDMRONQK-UHFFFAOYSA-N,2,1,0.371,7,296,431.847,2.974,5,0.387,0.63,1.0,0.5597028990473579,0.4978668357206497,0.3011017065314235,0.2915924199849222,0.41256596532108836
EOS-2-26547,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)nn1,YXNCBOZNGRHHIU-UHFFFAOYSA-N,2,1,0.5,51,19,431.847,2.974,5,0.413,0.61,1.0,0.7213265026386129,0.7120570899869783,0.16738914399287233,0.18364060037009114,0.44610333424713866
EOS-2-26548,Clc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)nn2)c1,LBJZHSPMIHUYPZ-UHFFFAOYSA-N,2,1,0.398,54,411,431.847,2.708,5,0.4,0.66,0.998,0.5683040915632924,0.6289921869645672,0.13328421629771778,0.20327599204989377,0.3834641217188678
EOS-2-26549,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)ncn4)n23)ccn1,ZXQPQNSUHRHOIO-UHFFFAOYSA-N,2,1,0.435,18,194,431.847,2.708,5,0.374,0.57,1.0,0.6248115276540334,0.6055787814406141,0.3377510108971284,0.35455931738743063,0.48067515934480165
EOS-2-26550,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)nn1,WJQRSAWKKTZCNC-UHFFFAOYSA-N,2,1,0.473,75,779,431.847,2.708,5,0.4,0.61,1.0,0.602537523130697,0.6582311013638544,0.23938558015214859,0.27684874237543694,0.44425073675553417
EOS-2-26551,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)n1,QMGXMJWJQUXVAV-UHFFFAOYSA-N,2,1,0.379,54,411,431.847,2.974,5,0.413,0.68,0.998,0.5081728462751011,0.5250839558632033,0.1739428414776232,0.21226269618257831,0.3548655849496265
EOS-2-26552,Clc1ccc(COc2cncc3nnc(-c4ccc(Oc5ncccn5)cc4)n23)cn1,FACPXQCPILWUFB-UHFFFAOYSA-N,2,1,0.547,97,992,431.843,4.001,5,0.372,0.75,1.0,0.9000325543143033,0.7256613665958468,0.610093550818998,0.5298728668357207,0.6914150846412171
EOS-2-26553,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)n[nH]1,SNBBODUGZZVABJ-UHFFFAOYSA-N,2,1,0.489,1,31,431.843,3.169,5,0.425,0.75,1.0,0.6304913988074841,0.5709684051812761,0.5454732369268728,0.5626756219587417,0.5774021657185937
EOS-2-26554,COc1ncc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cn2)cn1,HRZMOESZKNZLHY-UHFFFAOYSA-N,2,1,0.6,13,995,431.843,4.098,5,0.41,0.82,1.0,0.62482009457885,0.6826554040161743,0.5318946610924542,0.4962476869302995,0.5839044616544445
EOS-2-26555,Oc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ccncn1,OLJQCHZZMNQQGS-UHFFFAOYSA-N,2,1,0.495,4,31,431.843,3.581,5,0.42,0.62,1.0,0.69981495442396,0.6728719758755397,0.5943646768555959,0.5723733808512097,0.6348562470015764
EOS-2-26556,Oc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4cncnc4)c3)n12,ARQCTUCVJSQQNF-UHFFFAOYSA-N,2,1,0.489,2,817,431.843,3.581,5,0.449,0.68,1.0,0.7454680967719828,0.7997309985607566,0.7133421287094784,0.704612432321294,0.7407884140908779
EOS-2-26557,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)n[nH]1,ZDQJICJAUDFCEF-UHFFFAOYSA-N,2,1,0.506,97,22,431.843,3.169,5,0.455,0.71,1.0,0.8239325611678432,0.6199112466588993,0.6248457953533,0.6387242135563018,0.6768534541840862
EOS-2-26558,COc1cc(-c2nnc3cncc(Oc4cnc(Cl)cn4)n23)ccc1-c1ccccn1,PRFLBDXNOKKZQN-UHFFFAOYSA-N,2,1,0.412,97,777,431.843,4.098,5,0.41,0.75,1.0,0.7632787334658351,0.6537505996847371,0.5688266739771092,0.4842454252621479,0.6175253580974573
EOS-2-26559,Clc1ccc(COc2cncc3nnc(-c4cncc(Oc5cccnc5)c4)n23)cn1,AZHGZNHBLRDRJO-UHFFFAOYSA-N,2,1,0.461,55,879,431.843,4.001,5,0.372,0.72,1.0,0.7632873003906517,0.6339438695086012,0.6737029675827565,0.6359570968405182,0.6767228085806319
EOS-2-26560,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5ncccc5Cl)cn4)n23)cn1,AYYCCINLBWSEBZ-UHFFFAOYSA-N,2,1,0.387,13,110,431.843,4.098,5,0.41,0.78,1.0,0.6725978342814063,0.619919813583716,0.52522102666027,0.47202042354876295,0.5724397745185388
EOS-2-26561,Oc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)nc1,OBJFIRXCAATMDR-UHFFFAOYSA-N,2,1,0.441,46,157,431.843,3.581,5,0.42,0.58,1.0,0.4402371324789254,0.47503598108423,0.5815314234802276,0.5692892879172092,0.5165234562401481
EOS-2-26562,OCc1cnc(-c2cccc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)cn1,DTXFSLFHHSRMRY-UHFFFAOYSA-N,2,1,0.4,13,412,431.843,3.581,5,0.449,0.7,1.0,0.5880165855664451,0.6290007538893838,0.5286734973613871,0.5164656294976355,0.5655391165787129
EOS-2-26563,Oc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1ccncn1,VKRCQWHPRWNTQY-UHFFFAOYSA-N,2,1,0.489,97,992,431.843,3.581,5,0.42,0.59,1.0,0.8704937975464327,0.692515934480159,0.6791686656157906,0.6359656637653348,0.7195360153519293
EOS-2-26564,Clc1cncc(COc2cncc3nnc(-c4ccc(Oc5ccncc5)nc4)n23)c1,NMKTXCQDKAGYBK-UHFFFAOYSA-N,2,1,0.471,55,879,431.843,4.001,5,0.397,0.75,1.0,0.7803097800013707,0.7662171886779522,0.6487989171407031,0.6061356315536974,0.7003653793434309
EOS-2-26565,COc1cc(-c2nnc3cncc(Oc4cccnc4Cl)n23)ccc1-c1cnccn1,JUBBASQSIAYPPF-UHFFFAOYSA-N,2,1,0.444,13,248,431.843,4.098,5,0.383,0.73,1.0,0.7916695223082723,0.6631056815845384,0.6366253169762183,0.5528493591940237,0.6610624700157631
EOS-2-26566,Cn1ncc(-c2ccnc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)cc1=O,UIGZHPMDERFKGS-UHFFFAOYSA-N,2,1,0.494,13,374,431.843,3.393,5,0.43,0.77,1.0,0.37739017202385033,0.3894952367898019,0.5042063600849839,0.5626841888835583,0.4584439894455486
EOS-2-26567,Cn1ncc(-c2cncc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)cc1=O,SPNWQTOPSNFAQL-UHFFFAOYSA-N,2,1,0.418,13,995,431.843,3.393,5,0.43,0.73,1.0,0.36113871564663147,0.40832533753683775,0.5587519703927079,0.5999760126105134,0.4820480090466726
EOS-2-26568,Clc1cnc(COc2cncc3nnc(-c4ccc(Oc5ccncc5)cc4)n23)nc1,VHJYTGGHSJVNIU-UHFFFAOYSA-N,2,1,0.519,97,19,431.843,4.001,5,0.397,0.74,1.0,0.7600661366595847,0.7953704338290727,0.531903228017271,0.5260948529915701,0.6533586628743746
EOS-2-26569,COc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)cc2)cn1,CLCOXQUPQYEUFN-UHFFFAOYSA-N,2,1,0.476,97,284,431.843,4.098,5,0.383,0.81,1.0,0.8108337331231581,0.7443886642450825,0.6071208279076142,0.5261034199163868,0.6721116612980604
EOS-2-26570,Oc1cc(Cl)ccc1-c1nnc2cncc(OCc3nccc(-c4cccnc4)n3)n12,JCKVXOMGOIUPGD-UHFFFAOYSA-N,2,1,0.444,97,335,431.843,3.581,5,0.449,0.75,1.0,0.7181824412308958,0.8156055102460421,0.47640668905489686,0.5062367212665342,0.6291078404495922
EOS-2-26571,N#Cc1ccc(Cn2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c(F)c1,BBYSIJBDZMLQHY-UHFFFAOYSA-N,2,1,0.384,22,221,431.822,3.157,5,0.429,0.81,1.0,0.3611472825714482,0.5915290247412789,0.552249674456857,0.7476355287505997,0.563140377630046
EOS-2-26572,N#Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)n[nH]1,PTAQITISINJVII-UHFFFAOYSA-N,2,1,0.398,51,196,431.807,1.865,5,0.435,0.62,1.0,0.6277157151668837,0.6826639709409911,0.10537317524501405,0.13678808854773492,0.3881352374751559
EOS-2-26573,N#Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)c(Cl)n2)o1,HQLLNMKYLFHIHH-UHFFFAOYSA-N,2,1,0.583,4,617,431.803,2.735,5,0.381,0.64,0.995,0.5390394763895552,0.6925245014049757,0.18345212802412447,0.22344253306832979,0.40961465972174627
EOS-2-26574,N#Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4ncon4)cn3)n12,OELBHHXIAASPMR-UHFFFAOYSA-N,2,1,0.5,51,969,431.803,2.735,5,0.407,0.72,1.0,0.6817815776848742,0.7703207456651361,0.3567096155164142,0.4151960112398054,0.5560019875265575
EOS-2-26575,N#Cc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)nn1,LVSLIODQEMVAEW-UHFFFAOYSA-N,2,1,0.529,4,32,431.803,2.735,5,0.407,0.71,1.0,0.7244191624974299,0.8377167431978617,0.2110890274826948,0.31665067507367556,0.5224689020629155
EOS-2-26576,N#Cc1cc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)ccc1Cl,VMXGBEDPSPRGKZ-UHFFFAOYSA-N,2,1,0.483,7,212,431.803,2.735,5,0.407,0.71,1.0,0.6569374957165376,0.8233842779795765,0.4414879035021589,0.4720289904735796,0.5984596669179632
EOS-2-26577,Fc1ccc(Br)cc1COc1cncc2nnc(-c3ccc(-c4nnco4)cn3)n12,QWZPCZMREJKDLD-UHFFFAOYSA-N,2,1,0.455,54,109,468.246,3.717,5,0.385,0.74,1.0,0.6758189980124735,0.6104276608868481,0.6275957782194503,0.6212476869302995,0.6337725310122678
EOS-2-26578,Fc1cc(-c2nnc3cncc(OCc4cc(-c5ncco5)cnn4)n23)ccc1Br,QZZNWPVEOGSNGF-UHFFFAOYSA-N,2,1,0.529,4,391,468.246,3.717,5,0.385,0.69,1.0,0.7334230004797478,0.7350078815708313,0.5784216297717771,0.57540607223631,0.6555646460146666
EOS-2-26579,Fc1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)ccc1-c1nnco1,WKKJNAONTFJJPP-UHFFFAOYSA-N,2,1,0.58,4,712,468.246,3.717,5,0.385,0.71,1.0,0.7090329655266946,0.6973648139263929,0.6009440751147967,0.5818998012473443,0.6473104139538072
EOS-2-26580,Fc1cccc(Br)c1COc1cncc2nnc(-c3ccc(-c4cnno4)nc3)n12,FSRFUUMEVLIQTH-UHFFFAOYSA-N,2,1,0.5,59,332,468.246,3.717,5,0.385,0.73,1.0,0.6248286615036667,0.6537591666095538,0.6488074840655198,0.6503409636077033,0.6444340689466109
EOS-2-26581,Fc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Br)n5)n34)cc2)n[nH]1,IDEFBDZFJCLOHK-UHFFFAOYSA-N,2,1,0.474,47,19,468.25,2.847,5,0.418,0.64,1.0,0.669642245219656,0.6339524364334178,0.28305976286752105,0.2737732163662532,0.46510691522171205
EOS-2-26582,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1Br,MUJYUHBTKCXNOF-UHFFFAOYSA-N,2,1,0.53,47,499,468.25,2.847,5,0.418,0.73,1.0,0.6696508121444726,0.6433075183332191,0.4873209512713316,0.4749760126105133,0.5688138235898842
EOS-2-26583,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cccc(Cl)n1,FFHOHCAPJNGWOU-UHFFFAOYSA-N,2,1,0.548,34,210,468.279,4.668,5,0.346,0.69,1.0,0.9714635734356796,0.9769121376190802,0.6653587828113221,0.7846446439586047,0.8495947844561718
EOS-2-26584,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)ncn4)n23)cc1Cl,TULVXLOKCNQICL-UHFFFAOYSA-N,2,1,0.549,44,488,468.279,4.668,5,0.37,0.71,0.996,0.8158710849153588,0.787343225275855,0.8630662737303817,0.9011034199163868,0.8418460009594955
EOS-2-26585,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)cc1Cl,NLZRONHTADNHIM-UHFFFAOYSA-N,2,1,0.43,46,157,468.279,4.668,5,0.346,0.7,1.0,0.5737440888218766,0.6778065245699404,0.8644198478514152,0.892999109039819,0.7522423925707628
EOS-2-26586,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(Cl)cn2)cn1,ULIFGTTWAKGGGK-UHFFFAOYSA-N,2,1,0.6,59,232,468.279,4.668,5,0.37,0.76,1.0,0.9580820368720444,0.9758155712425468,0.8525289562058803,0.8930076759646357,0.9198585600712768
EOS-2-26587,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cnc1Cl,FROQVZLPOQCDIF-UHFFFAOYSA-N,2,1,0.529,73,401,468.279,4.668,5,0.346,0.79,1.0,0.87461448838325,0.9587845247070111,0.8379309163182784,0.8848348296895346,0.8890411897745185
EOS-2-26588,Fc1cnc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cn1,VDQLYPWCIMAMND-UHFFFAOYSA-N,2,1,0.517,59,109,468.279,4.668,5,0.37,0.62,1.0,0.8968370913576863,0.9569597697210609,0.7860581865533548,0.8507127681447467,0.8726419539442122
EOS-2-26589,Fc1cnccc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cn1,HXYGCUIDHCWJIV-UHFFFAOYSA-N,2,1,0.517,73,877,468.279,4.668,5,0.37,0.58,1.0,0.802917894592557,0.9313275306695908,0.842685559591529,0.8902748269481187,0.8668014529504489
EOS-2-26590,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)ccc1Cl,NGAXIWAKAWKWAZ-UHFFFAOYSA-N,2,1,0.512,73,401,468.279,4.668,5,0.346,0.77,1.0,0.8548248920567473,0.955126447810294,0.8600592831197313,0.8943269823864026,0.8910844013432939
EOS-2-26591,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ncc(-c4ccc(Cl)nc4)cn3)n12,DWERPUBRNXUQHL-UHFFFAOYSA-N,2,1,0.47,59,969,468.279,4.668,5,0.346,0.74,1.0,0.7718370913576863,0.8660732643410322,0.8066873415118909,0.8641885408813652,0.8271965595229935
EOS-2-26592,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cnc(Cl)nc1,WBXDEXSRARYSCR-UHFFFAOYSA-N,2,1,0.556,16,716,468.279,4.668,5,0.274,0.7,1.0,0.9580906037968611,0.9247224316359399,0.897411075320403,0.9057466931670207,0.9214927009800562
EOS-2-26593,Fc1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nc1-c1ccccn1,DOCYFUILHKGIAG-UHFFFAOYSA-N,2,1,0.534,24,10,468.279,4.668,5,0.37,0.68,1.0,0.797323692687273,0.9283548077582071,0.6871873072441916,0.7915838530601056,0.8011124151874442
EOS-2-26594,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncc(Cl)n5)nc4)n23)cc1Cl,DJYJEIBUMCTMMK-UHFFFAOYSA-N,2,1,0.641,59,294,468.279,4.668,5,0.37,0.72,1.0,0.9273696114042903,0.9360136385443081,0.867341169213899,0.8943355493112193,0.9062649921184291
EOS-2-26595,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)nc1Cl,IPKFKFCFJNJCKM-UHFFFAOYSA-N,2,1,0.511,72,613,468.279,4.668,5,0.346,0.72,0.999,0.7181910081557125,0.8156140771708588,0.8149287231855253,0.8541566719210473,0.800722620108286
EOS-2-26596,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5cccc(Cl)n5)n4)n23)ccc1Cl,WWPKTEVDEMFVDC-UHFFFAOYSA-N,2,1,0.517,59,401,468.279,4.668,5,0.346,0.8,1.0,0.8338102254814612,0.9487440888218766,0.8088376396408745,0.8658248235213488,0.8643041943663903
EOS-2-26597,Fc1cncc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)c1,IQKRLAJGWHFCRO-UHFFFAOYSA-N,2,1,0.489,73,446,468.279,4.668,5,0.37,0.78,1.0,0.8410150092522788,0.9455057912411761,0.7899561373449386,0.8625094236172983,0.859746590363923
EOS-2-26598,Cc1nc(-c2ccc(Cl)cc2F)cc(-c2nnc3cncc(Oc4ncccc4Cl)n23)n1,LOZFEOIMHIEIPG-UHFFFAOYSA-N,2,1,0.368,44,971,468.279,5.19,5,0.359,0.79,1.0,0.7305702145157974,0.7873517922006716,0.7367898019326983,0.8092145843328079,0.7659815982454938
EOS-2-26599,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)nc(Cl)c5)n34)cn2)cn1,FUSKLZAMYDQUCW-UHFFFAOYSA-N,2,1,0.488,55,959,468.279,4.668,5,0.346,0.73,1.0,0.882401823041601,0.8826759646357344,0.8659361935439654,0.8819734768007675,0.8782468645055171
EOS-2-26600,Fc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)ccc1Cl,JUWAKCOMQLOHBF-UHFFFAOYSA-N,2,1,0.472,59,137,468.279,4.668,5,0.37,0.72,1.0,0.7090415324515112,0.8116475909807416,0.8630748406551985,0.9045473236926873,0.8220778219450346
EOS-2-26601,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(Cl)nc5)c4)n23)cc1Cl,MPIJCXDKRRCARM-UHFFFAOYSA-N,2,1,0.568,2,716,468.279,4.668,5,0.346,0.73,1.0,0.9564371873072441,0.9476560893701597,0.910047289424988,0.9190254266328559,0.9332914981838119
EOS-2-26602,Fc1cnc(-c2ccc(Cl)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,OKOHQJYDRPCRAI-UHFFFAOYSA-N,2,1,0.608,34,389,468.279,4.668,5,0.37,0.7,1.0,0.965569529161812,0.9752929888287301,0.8395843328078952,0.8875505448564184,0.9169993489137139
EOS-2-26603,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)ccc1Cl,RJBDAOFEBGEMKK-UHFFFAOYSA-N,2,1,0.453,59,401,468.279,4.668,5,0.37,0.77,1.0,0.8029264615173737,0.9026797340826537,0.8395928997327119,0.8833441847714344,0.8571358200260434
EOS-2-26604,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nn2)c1,NNFVXOQUMJJJHB-UHFFFAOYSA-N,2,1,0.523,34,391,468.279,4.668,5,0.37,0.76,1.0,0.8843807826742512,0.9508943869508601,0.852537523130697,0.8971883352751696,0.8962502570077445
EOS-2-26605,Fc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ccc(Cl)nc1,RXFZBDMSMVWTSV-UHFFFAOYSA-N,2,1,0.416,46,959,468.279,4.668,5,0.346,0.71,1.0,0.872652662600233,0.8233928449043931,0.860067850044548,0.8848433966143513,0.8602391885408813
EOS-2-26606,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)nc4)c3)n12,NDSDYDPIGCGCGU-UHFFFAOYSA-N,2,1,0.461,2,419,468.279,4.668,5,0.346,0.7,1.0,0.6603642656432047,0.7744842711260366,0.8569837571105476,0.8915941333698856,0.7958566068124187
EOS-2-26607,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1-c1cnnc(Cl)c1,BPWQJHCUJHCTOE-UHFFFAOYSA-N,2,1,0.518,59,772,468.279,4.668,5,0.346,0.64,1.0,0.8726612295250497,0.9374186142142417,0.9051127407305873,0.9263415804262902,0.9103835412240422
EOS-2-26608,Fc1cc(-c2cncc(Cl)n2)ccc1-c1nnc2cncc(OCc3ncccc3Cl)n12,KKNGIGNCZFUOCO-UHFFFAOYSA-N,2,1,0.5,73,526,468.279,4.668,5,0.37,0.67,1.0,0.8083750257007745,0.8747943938043999,0.8088462065656912,0.8674011376876156,0.8398541909396203
EOS-2-26609,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cc(-c4cnccn4)ncc3Cl)n12,LUQNLUBZDNWQLU-UHFFFAOYSA-N,2,1,0.488,73,540,468.279,4.668,5,0.37,0.75,1.0,0.8108423000479748,0.8542851757932972,0.8715046946747995,0.9021657185936536,0.8596994722774313
EOS-2-26610,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4cnc(Cl)nc4)c3)n12,DNNKNAXAADRSPX-UHFFFAOYSA-N,2,1,0.5,59,332,468.279,4.668,5,0.346,0.78,1.0,0.8746230553080666,0.8881416626687684,0.8728325680213831,0.8943441162360359,0.8824853505585635
EOS-2-26611,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1Cl,RLKMODKPTIZYKX-UHFFFAOYSA-N,2,1,0.465,73,756,468.279,4.668,5,0.37,0.66,1.0,0.8083835926255911,0.8156226440956754,0.7492032759920499,0.8297409361935439,0.8007376122267151
EOS-2-26612,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4cnccn4)nc3Cl)n12,BNBZIGVUYDVZID-UHFFFAOYSA-N,2,1,0.506,59,910,468.279,4.668,5,0.346,0.67,1.0,0.8746316222328833,0.8881502295935851,0.8443304091563293,0.8806027688301008,0.8719287574532246
EOS-2-26613,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cnc2Cl)nc1,AXWQAUQEGNAGNK-UHFFFAOYSA-N,2,1,0.512,73,162,468.279,4.668,5,0.346,0.72,1.0,0.7274004523336303,0.9003495305325201,0.8240267973408265,0.8706994037420328,0.8306190459872524
EOS-2-26614,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)nc1Cl,VTEKUXCQLFKKNX-UHFFFAOYSA-N,2,1,0.449,97,379,468.279,4.668,5,0.274,0.73,1.0,0.7514820779932835,0.8040487286683572,0.7837965184017545,0.8435850866972792,0.7957281029401686
EOS-2-26615,Fc1ncccc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)n1,UEVICCYQKWKINP-UHFFFAOYSA-N,2,1,0.506,73,401,468.279,4.668,5,0.346,0.73,1.0,0.7571191145226509,0.9264957850729902,0.8088547734905078,0.8690888218764992,0.8403896237406621
EOS-2-26616,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(Cl)n2)cc1,WZHMEFDOVKXJFP-UHFFFAOYSA-N,2,1,0.5,73,210,468.279,4.668,5,0.346,0.75,1.0,0.8388818449729285,0.8881587965184018,0.7158779384552121,0.8159310533890755,0.8147124083339045
EOS-2-26617,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cnc(Cl)cn1,HHQUFHSKXOMZMD-UHFFFAOYSA-N,2,1,0.536,34,929,468.279,4.668,5,0.37,0.76,1.0,0.895295044890686,0.9656980330340621,0.765420464670002,0.8397642382290453,0.8665444452059488
EOS-2-26618,Fc1cc(-c2ncccc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1Cl,LAKMZRMPKDIAJV-UHFFFAOYSA-N,2,1,0.465,73,756,468.279,4.668,5,0.37,0.71,1.0,0.8158796518401754,0.848202659173463,0.7492118429168666,0.8297495031183606,0.8107609142622165
EOS-2-26619,Fc1ccc(Cl)nc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,NJTCKRXQBOSTFK-UHFFFAOYSA-N,2,1,0.389,46,157,468.279,4.668,5,0.346,0.72,1.0,0.6166386813789322,0.7210095264203962,0.8110736070180248,0.8609331094510314,0.7524137310670962
EOS-2-26620,Fc1cc(-c2ncccc2-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1Cl,MMOZCGWYFACOLH-UHFFFAOYSA-N,2,1,0.5,73,401,468.279,4.668,5,0.37,0.68,0.997,0.7393341786032486,0.8482112260982798,0.8028750599684737,0.8575920087725311,0.8120031183606332
EOS-2-26621,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccc(Cl)nc1,XDVAIHBOEGDMTI-UHFFFAOYSA-N,2,1,0.561,34,210,468.279,4.668,5,0.346,0.74,1.0,0.9541069837571106,0.9737595092865465,0.7444314988691659,0.8316513604276609,0.875987338085121
EOS-2-26622,Fc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,ROWGCIGTUPYVGB-UHFFFAOYSA-N,2,1,0.529,73,401,468.279,4.668,5,0.346,0.71,1.0,0.8726697964498663,0.9569683366458775,0.8396014666575287,0.884851963539168,0.8885228908231101
EOS-2-26623,COc1ncc(-c2ccnc(Cl)n2)cc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,OIGAEIFBVLWNDL-UHFFFAOYSA-N,2,1,0.4,45,575,468.279,4.765,5,0.351,0.69,1.0,0.5967805496538963,0.7744928380508532,0.8088633404153245,0.8297580700431773,0.7524736995408128
EOS-2-26624,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)ccc1Cl,ZBGQEEPUSDCKMH-UHFFFAOYSA-N,2,1,0.429,59,153,468.279,4.668,5,0.37,0.79,1.0,0.6450037694469193,0.7165547255157289,0.8296295661709273,0.8848605304639846,0.76901214789939
EOS-2-26625,Fc1cc(Cl)cnc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,HFOMRTYVCJHXDM-UHFFFAOYSA-N,2,1,0.562,73,210,468.279,4.668,5,0.37,0.73,1.0,0.9478445617161264,0.9686450551709959,0.767793502844219,0.8490936193543965,0.8833441847714344
EOS-2-26626,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1Cl,OWEQPDLNHMADSF-UHFFFAOYSA-N,2,1,0.5,73,401,468.279,4.668,5,0.37,0.6,0.997,0.7305787814406141,0.8194349256390926,0.8009218011102734,0.8576005756973477,0.802134020971832
EOS-2-26627,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5Cl)n34)c2)nc1,ZRMJBTTUEVEOGQ-UHFFFAOYSA-N,2,1,0.494,73,82,468.279,4.668,5,0.346,0.69,1.0,0.8569237886368309,0.8343756425193612,0.827624905763827,0.8609416763758482,0.8449665033239668
EOS-2-26628,Fc1cc(-c2nnc3cncc(OCc4nc(Cl)ccc4Cl)n23)ccc1-c1cncnc1,DREQRLLIIQZAKF-UHFFFAOYSA-N,2,1,0.477,59,817,468.279,4.668,5,0.346,0.68,1.0,0.8480655883763965,0.8959803988760194,0.8728411349461997,0.9057552600918375,0.8806605955726133
EOS-2-26629,Fc1cc(Cl)cnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccn1,PRCWFJAKMDRELF-UHFFFAOYSA-N,2,1,0.5,24,577,468.279,4.668,5,0.346,0.69,1.0,0.8766105818655335,0.8307946679459941,0.8313258172846275,0.8658333904461655,0.8511411143855802
EOS-2-26630,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(Cl)cn5)n4)n23)cc1Cl,VPEWFCRVOKOBBY-UHFFFAOYSA-N,2,1,0.548,73,665,468.279,4.668,5,0.37,0.78,1.0,0.8824103899664176,0.9388749914330752,0.7581899801247344,0.8237869234459598,0.8508155712425468
EOS-2-26631,Fc1cccc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nn2)c1,QNOZJXYBTZMHLB-UHFFFAOYSA-N,2,1,0.554,34,146,468.279,4.668,5,0.37,0.78,1.0,0.7090500993763279,0.9560259749160441,0.7581985470495511,0.8658419573709821,0.8222791446782263
EOS-2-26632,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cnc(Cl)nc1,WSKUQPAJAVMJKJ-UHFFFAOYSA-N,2,1,0.549,73,71,468.279,4.668,5,0.346,0.69,1.0,0.942438832156809,0.9714293057364128,0.8728497018710164,0.8958947296278528,0.9206531423480226
EOS-2-26633,Fc1cccnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nn1,HILLQHRPVVJJDV-UHFFFAOYSA-N,2,1,0.535,34,820,468.279,4.668,5,0.37,0.73,1.0,0.7661315194297855,0.9247309985607566,0.7469501747652663,0.8454098416832294,0.8208056336097594
EOS-2-26634,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cnc1Cl,SVMDKUBBRQIVNS-UHFFFAOYSA-N,2,1,0.53,72,613,468.279,4.668,5,0.346,0.74,1.0,0.9434497292851758,0.8959889658008361,0.8644284147762319,0.8833527516962512,0.8968049653896237
EOS-2-26635,Fc1cc(Cl)ncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,SACROOGXBQLPFS-UHFFFAOYSA-N,2,1,0.5,73,19,468.279,4.668,5,0.346,0.72,1.0,0.9503975053114934,0.9191539305051059,0.820145980398876,0.8658505242957988,0.8888869851278185
EOS-2-26636,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)cnc1Cl,XDKXQEFQLROBLE-UHFFFAOYSA-N,2,1,0.482,73,19,468.279,4.668,5,0.346,0.74,1.0,0.9366390240559249,0.907340141182921,0.8182955246384758,0.8609502433006648,0.8808062332944966
EOS-2-26637,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5cc(Cl)ccc5Cl)n34)cn2)nc1,VIZLIPPMAOUCAW-UHFFFAOYSA-N,2,1,0.488,73,877,468.279,4.668,5,0.37,0.7,1.0,0.6758275649372901,0.8194434925639092,0.7987715029812898,0.8641971078061819,0.7895599170721677
EOS-2-26638,Fc1ncc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cc1Cl,JISKYDLGNZRCDG-UHFFFAOYSA-N,2,1,0.455,2,419,468.279,4.668,5,0.346,0.67,1.0,0.8134637790418752,0.8116561579055582,0.9006579398259201,0.9190339935576726,0.8612029675827566
EOS-2-26639,Fc1cc(-c2ccc(Cl)nn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,FFZATCZTPMMQEZ-UHFFFAOYSA-N,2,1,0.483,59,89,468.279,4.668,5,0.37,0.7,1.0,0.9033479542183538,0.898207799328353,0.8616184634363648,0.8971969021999863,0.8900927797957645
EOS-2-26640,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cnc(Cl)nc1,PYZCFGSHRSPVDR-UHFFFAOYSA-N,2,1,0.537,16,716,468.279,4.668,5,0.346,0.66,1.0,0.9613546021520115,0.9283633746830238,0.8961603042971695,0.9113665958467548,0.9243112192447399
EOS-2-26641,Fc1ccc(COc2cncc3nnc(-c4nccnc4-c4ccc(Cl)cc4Cl)n23)cn1,KSRJWAVNXNOYBS-UHFFFAOYSA-N,2,1,0.488,59,89,468.279,4.668,5,0.346,0.64,1.0,0.771845658282503,0.7703293125899527,0.7860667534781715,0.8609588102254815,0.7973001336440272
EOS-2-26642,Fc1cc(Cl)cnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,NDIQJOGZMDUUAJ-UHFFFAOYSA-N,2,1,0.477,55,89,468.279,4.668,5,0.37,0.74,1.0,0.8986361455691865,0.9026883010074703,0.8221763415804263,0.8690973888013159,0.8731495442395998
EOS-2-26643,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nn2)cc1Cl,IWFDXOCSIVQGMR-UHFFFAOYSA-N,2,1,0.494,54,691,468.279,4.668,5,0.346,0.77,1.0,0.8526403262284971,0.8040572955931738,0.8584487012541978,0.9011119868412035,0.8540645774792681
EOS-2-26644,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4cccc(Cl)n4)cn3)n12,QERYQMGQQWCNDT-UHFFFAOYSA-N,2,1,0.517,59,210,468.279,4.668,5,0.346,0.74,1.0,0.8434908505242958,0.9530875197039271,0.7769001439243369,0.8491021862792132,0.8556451751079432
EOS-2-26645,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cc1Cl,XNZRLTJBQXDJSH-UHFFFAOYSA-N,2,1,0.476,73,756,468.279,4.668,5,0.37,0.81,1.0,0.8681550270714824,0.8935131245288191,0.8066959084367076,0.862517990542115,0.857720512644781
EOS-2-26646,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4cnc(Cl)nc4)cn3)n12,WZPZDDQNHHMFJL-UHFFFAOYSA-N,2,1,0.568,73,10,468.279,4.668,5,0.346,0.69,1.0,0.8824189568912343,0.9560345418408608,0.8701682544033994,0.887559111781235,0.8990452162291823
EOS-2-26647,Fc1c(Cl)cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccn1,UJQWMIRZEDQCEH-UHFFFAOYSA-N,2,1,0.477,75,577,468.279,4.668,5,0.346,0.63,1.0,0.8266568432595436,0.8512010828592969,0.8936416284010692,0.910227194846138,0.8704316873415119
EOS-2-26648,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)cn1,JEJARGRXMWKRNC-UHFFFAOYSA-N,2,1,0.511,73,401,468.279,4.668,5,0.346,0.67,1.0,0.777645466383387,0.9401600301555754,0.8411178123500788,0.8819820437255843,0.8602263381536563
EOS-2-26649,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)ccc1Cl,ORAWQVYBZDQNDJ-UHFFFAOYSA-N,2,1,0.407,59,153,468.279,4.668,5,0.346,0.75,1.0,0.7118172160921116,0.7487492289767665,0.8009303680350901,0.8658590912206154,0.7818389760811459
EOS-2-26650,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)ccc1Cl,GKIKJOGGJVFCIX-UHFFFAOYSA-N,2,1,0.472,59,799,468.279,4.668,5,0.37,0.76,1.0,0.8266654101843602,0.9003580974573367,0.8364659721746281,0.881990610650401,0.8613700226166815
EOS-2-26651,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncnc3-c3cncc(Cl)c3)n12,RXMDFFRYVZWTNH-UHFFFAOYSA-N,2,1,0.5,73,772,468.279,4.668,5,0.37,0.72,1.0,0.9333578918511412,0.9498492221232266,0.8525460900555136,0.8997926804194366,0.9088864711123295
EOS-2-26652,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccc(Cl)nn1,MHFVDZQHELLZKT-UHFFFAOYSA-N,2,1,0.554,34,372,468.279,4.668,5,0.37,0.74,0.999,0.896845658282503,0.9639418134466452,0.7517048180385169,0.8377938455212117,0.8625715338222192
EOS-2-26653,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)cc(Cl)n5)n34)nc2)cn1,CZOJWBIEDDLAFY-UHFFFAOYSA-N,2,1,0.438,46,959,468.279,4.668,5,0.346,0.69,1.0,0.6025460900555136,0.7256699335206634,0.8313343842094442,0.8691059557261326,0.7571640908779385
EOS-2-26654,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cnc1Cl,IEPXKUBBLGFLSQ-UHFFFAOYSA-N,2,1,0.461,55,89,468.279,4.668,5,0.346,0.7,0.996,0.8860770337879514,0.9003666643821534,0.8742375436913166,0.8972054691248029,0.8894716777465561
EOS-2-26655,Fc1nc(-c2ccc(Cl)cc2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,GDNPWHAFHITRRN-UHFFFAOYSA-N,2,1,0.5,73,210,468.279,4.668,5,0.346,0.75,1.0,0.8480741553012131,0.9052155438283873,0.7214807072853129,0.8177900760742923,0.8231401206223015
EOS-2-26656,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cnc(Cl)nc5)c4)n23)cc1Cl,PPLMOKVIYDFDKA-UHFFFAOYSA-N,2,1,0.671,59,577,468.279,4.668,5,0.346,0.74,1.0,0.94953224590501,0.9210129531903228,0.8961688712219862,0.9067661572202043,0.9183700568843808
EOS-2-26657,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)cnn4)n23)ccc1Cl,FWMLMNFZFILYKB-UHFFFAOYSA-N,2,1,0.58,59,294,468.279,4.668,5,0.346,0.71,1.0,0.7973322596120896,0.7786392296621205,0.9006665067507368,0.9282691385100404,0.8512267836337468
EOS-2-26658,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)nc(Cl)n4)n23)n1,OQHBJXAWNYBLEL-UHFFFAOYSA-N,2,1,0.446,44,31,468.279,4.668,5,0.274,0.76,1.0,0.6726064012062231,0.7443972311698992,0.7367983688575149,0.8177986429991091,0.7429001610581867
EOS-2-26659,Fc1cc(COc2cncc3nnc(-c4cnc(-c5cnccn5)c(Cl)c4)n23)ccc1Cl,UBCOLDVIUIDMHT-UHFFFAOYSA-N,2,1,0.653,59,540,468.279,4.668,5,0.37,0.72,1.0,0.8569323555616476,0.9073487081077376,0.8644369817010485,0.8998012473442533,0.8821298231786717
EOS-2-26660,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)ccc1Cl,AEVXVIDGSBLROZ-UHFFFAOYSA-N,2,1,0.566,44,488,468.279,4.668,5,0.346,0.71,0.999,0.9016260023302035,0.8512096497841135,0.8889383866767185,0.9133798231786718,0.8887884654924268
EOS-2-26661,Fc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,BQBJRARLLOJURV-UHFFFAOYSA-N,2,1,0.595,34,929,468.279,4.668,5,0.37,0.75,1.0,0.9564457542320609,0.9809043245836474,0.8167449112466589,0.8959032965526694,0.9124995716537592
EOS-2-26662,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccc(Cl)nn4)cn3)n12,ZYPXXEMIQMNGBP-UHFFFAOYSA-N,2,1,0.541,34,10,468.279,4.668,5,0.37,0.68,1.0,0.8029350284421904,0.940168597080392,0.834589815639778,0.8763193064217668,0.8635031868960318
EOS-2-26663,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4ccc(Cl)nc4)nn3)n12,HQOUPXWVMKKMEO-UHFFFAOYSA-N,2,1,0.483,34,671,468.279,4.668,5,0.346,0.71,1.0,0.6998235213487767,0.8482197930230965,0.7987800699061065,0.8658676581454321,0.803172760605853
EOS-2-26664,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)cnc1Cl,SIKFHCWIDSEZNY-UHFFFAOYSA-N,2,1,0.578,34,659,468.279,4.668,5,0.346,0.55,0.798,0.9637790418751285,0.9686536220958125,0.879309163182784,0.9124117606743883,0.9310383969570284
EOS-2-26665,Fc1ccc(C2(n3nnc(-c4cncc5nnc(-c6ccc(Cl)nc6)n45)n3)CC2)cc1Cl,BEYVTIVHPUWOJS-UHFFFAOYSA-N,2,1,0.34,22,221,468.283,3.823,6,0.37,0.58,0.82,0.2384260845726818,0.44446919333835927,0.1642279487355219,0.581908368172161,0.357257898704681
EOS-2-26666,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)c5)o4)n23)ccc1Cl,PCBFFMYXXASTMX-UHFFFAOYSA-N,2,1,0.511,57,709,468.3,5.341,5,0.332,0.78,1.0,0.9376156534850251,0.902696867932287,0.8443389760811459,0.839772805153862,0.88110607566308
EOS-2-26667,Cc1noc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccc2Cl)n1,YYRIITAEUFNIFH-UHFFFAOYSA-N,2,1,0.495,37,639,468.304,4.473,5,0.336,0.72,1.0,0.8001679117264067,0.8234014118292098,0.43416318278390786,0.5196439586046193,0.6443441162360359
EOS-2-26668,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2Cl)no1,SLDFDGPCXVVHRK-UHFFFAOYSA-N,2,1,0.581,35,626,468.304,4.473,5,0.336,0.74,1.0,0.7945137413474059,0.8194520594887259,0.5252295935850867,0.587913782468645,0.6817772942224659
EOS-2-26669,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)ccc1-c1cnnn1C,FFKGIMFMNPTYLH-UHFFFAOYSA-N,2,1,0.61,13,209,468.304,4.695,5,0.369,0.75,1.0,0.5597114659721746,0.5816085258035776,0.7838050853265712,0.7753495305325201,0.6751186519087109
EOS-2-26670,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)n5)n34)cc2)no1,ISQFIHLYWIURAS-UHFFFAOYSA-N,2,1,0.547,15,922,468.304,4.473,5,0.336,0.72,1.0,0.8548334589815639,0.8234099787540264,0.4450603111507093,0.4930607908984991,0.6540911349461996
EOS-2-26671,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)c2)no1,UYPCXZJWGWKWQK-UHFFFAOYSA-N,2,1,0.565,84,131,468.304,4.473,5,0.36,0.75,1.0,0.5416009869097389,0.6433160852580357,0.5421321362483723,0.6212562538551162,0.5870763655678158
EOS-2-26672,COc1cc(-c2nnc3cncc(OCc4nncn4-c4ccc(Cl)cc4)n23)ccc1Cl,IOUAWPLMVNUYMW-UHFFFAOYSA-N,2,1,0.483,34,612,468.304,4.266,5,0.368,0.72,1.0,0.6053303406209307,0.7120656569117949,0.6871958741690083,0.7345881022548146,0.6847949934891371
EOS-2-26673,Cc1coc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c(Cl)cn2)n1,GNGRQJSQPDZBFB-UHFFFAOYSA-N,2,1,0.5,58,304,468.304,4.473,5,0.36,0.61,0.99,0.727409019258447,0.6728805428003564,0.4154787197587554,0.489968131039682,0.5764341032143102
EOS-2-26674,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccc2Cl)o1,VVIPGCWQTODBNZ-UHFFFAOYSA-N,2,1,0.517,72,639,468.304,4.473,5,0.336,0.73,1.0,0.8083921595504078,0.8748029607292166,0.43779555890617505,0.5261119868412035,0.6617756665067508
EOS-2-26675,Cc1nnc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)o1,VFWUMGJCXFYAST-UHFFFAOYSA-N,2,1,0.5,37,589,468.304,4.473,5,0.36,0.66,1.0,0.6878126927558084,0.8343842094441779,0.4732283599479131,0.5660081557124255,0.6403583544650813
EOS-2-26676,OCCn1cncc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)cc(Cl)c4)n23)nc1,KCSKWYWWUGMAOP-UHFFFAOYSA-N,2,1,0.385,13,573,468.304,4.141,5,0.4,0.71,0.945,0.5006767870605168,0.4487440888218765,0.6737115345075732,0.7449626482077993,0.5920237646494415
EOS-2-26677,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2Cl)n1,AQZJAAQKIXXBJC-UHFFFAOYSA-N,2,1,0.552,35,619,468.304,4.473,5,0.36,0.75,1.0,0.7916780892330889,0.7662257556027688,0.5286820642862038,0.59998457953533,0.6716426221643479
EOS-2-26678,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4nc(Cl)ccc4Cl)n23)cc1,LQXOBECFJFPELP-UHFFFAOYSA-N,2,1,0.518,36,447,468.308,3.305,5,0.349,0.71,1.0,0.7485693235556165,0.7662343225275855,0.23939414707696524,0.3776471797683503,0.5329612432321293
EOS-2-26679,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1cnc(Cl)nc1,KGUSQHOJTBEUED-UHFFFAOYSA-N,2,1,0.451,95,462,468.308,3.305,5,0.276,0.68,0.996,0.4241056130491399,0.3895038037146186,0.33775957782194505,0.3932389829346858,0.38615199438009734
EOS-2-26680,CCn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)n1,BYFRVYSFUKYOJM-UHFFFAOYSA-N,2,1,0.489,73,212,468.308,3.746,5,0.371,0.72,1.0,0.38871564663148517,0.6242975121650333,0.2867264066890549,0.4217925433486396,0.43038302720855326
EOS-2-26681,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1cncc(Cl)n1,PTEITLRLRAOMEG-UHFFFAOYSA-N,2,1,0.435,31,569,468.308,3.305,5,0.349,0.54,1.0,0.44718490850524295,0.3606932355561648,0.2680333767390857,0.3614813926392982,0.3593482283599479
EOS-2-26682,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(Cl)c2)n1,ZBKUVJALJCWYIA-UHFFFAOYSA-N,2,1,0.545,37,563,468.308,3.305,5,0.374,0.68,1.0,0.6193886642450825,0.7210180933452128,0.2902388458638887,0.40885648687547116,0.5098755225824139
EOS-2-26683,CCn1cnnc1-c1cc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)ccn1,NNMMODSROUQBER-UHFFFAOYSA-N,2,1,0.461,92,980,468.308,3.746,5,0.371,0.63,1.0,0.47355390309094647,0.44002295935850866,0.31199883489822494,0.42472243163594,0.412574532245905
EOS-2-26684,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cnc1Cl,ZNNYHOOXGGMGAC-UHFFFAOYSA-N,2,1,0.469,58,602,468.308,3.305,5,0.374,0.65,1.0,0.6053389075457474,0.6386042766088684,0.23940271400178192,0.3166592419984922,0.45000128503872244
EOS-2-26685,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)nc(Cl)n5)n34)cc2)n1,XPFSBHFHVDKIFH-UHFFFAOYSA-N,2,1,0.54,15,320,468.308,3.305,5,0.276,0.65,1.0,0.687821259680625,0.7256785004454801,0.23941128092659858,0.28572407648550474,0.48465877938455204
EOS-2-26686,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(Cl)c4)n23)cc1,OQGCYRRCAGSQQN-UHFFFAOYSA-N,2,1,0.561,36,447,468.308,3.305,5,0.349,0.7,1.0,0.7454766636967994,0.7531012267836338,0.34905935165512986,0.45325029127544375,0.5752218833527517
EOS-2-26687,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1cnc(Cl)nc1,ICYBDNYUXZKKGH-UHFFFAOYSA-N,2,1,0.448,31,462,468.308,3.305,5,0.349,0.67,0.783,0.4310705229250908,0.39404427386745255,0.28673497361387157,0.3709050099376328,0.37068869508601193
EOS-2-26688,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cncnc1Cl,IMBIRPVPUPPIRL-UHFFFAOYSA-N,2,1,0.418,31,569,468.308,3.305,5,0.349,0.59,0.687,0.41951374134740593,0.37525700774450005,0.33439277636899456,0.43731581111644163,0.3916198341443356
EOS-2-26689,Cn1nnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2Cl)n1,QPSRPMNXKMYTGC-UHFFFAOYSA-N,2,1,0.576,37,626,468.308,3.305,5,0.349,0.71,1.0,0.7090586663011446,0.882684531560551,0.34906791857994657,0.46568089918442873,0.6016230039065177
EOS-2-26690,Cn1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1-c1ncc(Cl)cn1,AHHOKDWPZJIYPB-UHFFFAOYSA-N,2,1,0.511,65,775,468.308,3.305,5,0.374,0.6,0.999,0.5441967651291892,0.48372284284833117,0.1611438558015215,0.27378178329106984,0.3657113117675279
EOS-2-26691,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c(Cl)c2)n1,GVXYDRMOABTLGI-UHFFFAOYSA-N,2,1,0.484,20,279,468.308,3.603,5,0.402,0.69,1.0,0.5995133986704133,0.7210266602700295,0.297606401206223,0.39324754985950244,0.502848502501542
EOS-2-26692,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cncc(Cl)c1,RQGAAOVBEFYJIX-UHFFFAOYSA-N,2,1,0.388,95,602,468.308,3.305,5,0.374,0.71,0.997,0.42891165787129054,0.37039956137344937,0.23565040093208142,0.3545678843122473,0.34738237612226713
EOS-2-26693,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5Cl)n34)cn2)n1,MEJOACWLUVMOLB-UHFFFAOYSA-N,2,1,0.527,84,672,468.308,3.305,5,0.374,0.73,1.0,0.6137259269412652,0.7073024467137277,0.3195462956617093,0.45000342676992666,0.5226445240216572
EOS-2-26694,CCn1cnnc1-c1cc(Cl)cc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)c1,SUGRXFWWURROPM-UHFFFAOYSA-N,2,1,0.534,36,908,468.308,3.746,5,0.347,0.66,1.0,0.3381108217394284,0.49787540264546637,0.2938112535124392,0.37091357686244947,0.3751777636899459
EOS-2-26695,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cnc(Cl)nc1,PTHHULHNYLUVMP-UHFFFAOYSA-N,2,1,0.436,65,462,468.308,3.305,5,0.349,0.7,0.86,0.4289202247961072,0.39888458638886987,0.33440134329381127,0.40886505380028787,0.392767802069769
EOS-2-26696,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c(Cl)n2)n1,XKHMLDQDQXTEDJ-UHFFFAOYSA-N,2,1,0.452,58,602,468.308,3.305,5,0.349,0.55,1.0,0.5495253923651566,0.6008412720169968,0.21109759440751147,0.2916009869097389,0.41326631142485093
EOS-2-26697,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4nc(Cl)ncc4Cl)n23)ccn1,HJAKHTQONRYOPD-UHFFFAOYSA-N,2,1,0.433,7,624,468.308,3.746,5,0.347,0.7,1.0,0.42660715509560687,0.45754232060859434,0.2867435405386882,0.33229387978891095,0.3757967240079501
EOS-2-26698,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)c(Cl)c1,OBLFPPLNGWHCJK-UHFFFAOYSA-N,2,1,0.523,37,79,468.308,3.305,5,0.374,0.67,1.0,0.5264032622849701,0.5666249742992255,0.27575217599890345,0.39041189774518537,0.4397980775820711
EOS-2-26699,CCn1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1ncc(Cl)cn1,QHPTXOMJAKVORW-UHFFFAOYSA-N,2,1,0.379,46,775,468.308,3.746,5,0.347,0.65,1.0,0.28945068878075525,0.3018641628401069,0.17042183537797273,0.2798300322116373,0.26039167980261807
EOS-2-26700,CCn1ncnc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cnc1Cl,TXLBSAGJJSBCIB-UHFFFAOYSA-N,2,1,0.415,92,565,468.308,3.746,5,0.347,0.62,1.0,0.3953721472140361,0.502295935850867,0.27159721746281956,0.37427181139058324,0.3858842779795765
EOS-2-26701,Cn1c(Cl)ccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1,URAJWXDQWGTUNF-UHFFFAOYSA-N,2,1,0.746,43,96,468.319,5.822,5,0.326,0.69,1.0,0.977845932424097,0.967839764238229,0.9746419025426633,0.9788910972517305,0.97480467411418
EOS-2-26702,Cn1c(Cl)ccc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,ILVAQAPDNIDSKU-UHFFFAOYSA-N,2,1,0.684,43,11,468.319,5.822,5,0.326,0.74,1.0,0.9300767596463574,0.9191624974299225,0.9725430059625797,0.9778030978000137,0.9498963402097184
EOS-2-26703,FC(F)(F)Oc1ccccc1CCOc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,GWKCPBAEKRJTSD-UHFFFAOYSA-N,2,1,0.687,48,40,468.357,5.33,4,0.358,0.86,1.0,0.9863785895414982,0.9838427797957645,0.9995459529847166,0.998038174216983,0.9919513741347405
EOS-2-26704,Clc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)c1,USOLAOJOSNTURW-UHFFFAOYSA-N,2,1,0.511,11,848,468.369,5.843,5,0.313,0.76,1.0,0.9095161400863546,0.8635031868960318,0.7941196628058392,0.8642056747309985,0.857836166129806
EOS-2-26705,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)c(Cl)c4)n23)ccn1,NLNCLPXOKIMTLT-UHFFFAOYSA-N,2,1,0.625,35,352,468.369,5.843,5,0.293,0.71,1.0,0.9095247070111713,0.9191710643547393,0.8807141388527174,0.9133883901034885,0.9056995750805291
EOS-2-26706,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4Cl)n23)ccc1-c1cccs1,UPIKXUJQVGSTCQ-UHFFFAOYSA-N,2,1,0.407,13,110,468.369,6.576,5,0.292,0.72,0.712,0.5290761428277705,0.6485247755465698,0.7239222808580632,0.8069871838804743,0.6771275957782195
EOS-2-26707,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)c(Cl)c1,PHHBIDUOLXVDKR-UHFFFAOYSA-N,2,1,0.684,91,883,468.369,5.843,5,0.313,0.63,1.0,0.9095332739359879,0.9191796312795559,0.8984219724487698,0.927378178329107,0.9136282639983552
EOS-2-26708,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c(-c2ccccc2)n1,WVHJCSTWUADQIX-UHFFFAOYSA-N,2,1,0.5,11,848,468.369,5.843,5,0.293,0.69,1.0,0.9462254129257761,0.9191881982043726,0.6737201014323898,0.7915924199849222,0.8326815331368651
EOS-2-26709,Cc1nc(-c2ccccc2)c(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)s1,LAVXXJJUDCQOLB-UHFFFAOYSA-N,2,1,0.575,57,709,468.369,6.109,5,0.312,0.75,1.0,0.8915941333698856,0.9052241107532041,0.6981015694606264,0.7985144952367899,0.8233585772051265
EOS-2-26710,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)cc1Cl,PHSMHCAOENXXFJ-UHFFFAOYSA-N,2,1,0.714,84,884,468.369,5.843,5,0.313,0.76,1.0,0.7803183469261874,0.8234185456788431,0.8984305393735864,0.9242769515454733,0.8566110958810226
EOS-2-26711,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)cc5)nn4)n23)c(F)c1,LFIVQIQBLNWHIA-UHFFFAOYSA-N,2,1,0.561,13,145,468.37,4.92,5,0.327,0.81,1.0,0.8638629977383319,0.9313360975944075,0.961782948392845,0.9558203687204441,0.9282006031115071
EOS-2-26712,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)ccc1C(F)(F)F,OZDYNBDJWJYWDV-UHFFFAOYSA-N,2,1,0.506,27,540,468.374,3.775,5,0.359,0.67,1.0,0.8480827222260298,0.9133712562538551,0.9478102940168597,0.8848690973888013,0.8985333424713864
EOS-2-26713,Fc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c(F)cn2)cn1,VLIPFFWNQQUFLM-UHFFFAOYSA-N,2,1,0.469,55,434,468.374,3.833,5,0.274,0.66,1.0,0.9048043314371873,0.9113837296963881,0.9006750736755534,0.8337759577821945,0.8876597731478308
EOS-2-26714,Fc1ccncc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)nn1,CPWZCKLJCJAXSG-UHFFFAOYSA-N,2,1,0.462,54,670,468.374,3.775,5,0.359,0.66,1.0,0.5763998355150435,0.668014529504489,0.9430727845932424,0.8985676101706531,0.771513689945857
EOS-2-26715,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)ccc1C(F)(F)F,FXXIRWKADXDIQY-UHFFFAOYSA-N,2,1,0.467,27,343,468.374,3.775,5,0.359,0.7,1.0,0.8786495099719005,0.9052326776780207,0.9613117675279281,0.9067747241450209,0.9129921698307175
EOS-2-26716,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccncn5)n34)cn2)c(C(F)(F)F)cn1,IZPCCTBKEBMOLH-UHFFFAOYSA-N,2,1,0.434,27,69,468.374,3.775,5,0.284,0.67,0.995,0.6393067644438353,0.8234271126036597,0.9541326845315605,0.8889812213008018,0.8264619457199645
EOS-2-26717,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc(C(F)(F)F)c1,YXYHOJGTLYBBGI-UHFFFAOYSA-N,2,1,0.473,27,343,468.374,3.775,5,0.359,0.68,1.0,0.6935696662326092,0.8040658625179905,0.9597354533616613,0.9157956959769721,0.8432916695223083
EOS-2-26718,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cn5)n34)cn2)cn1,YNSIKYCQVUNUTR-UHFFFAOYSA-N,2,1,0.484,27,434,468.374,3.775,5,0.284,0.71,1.0,0.6362569392091015,0.8343927763689946,0.9534044959221438,0.8863083407580015,0.8275906380645603
EOS-2-26719,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5ccncn5)n4)n23)ccc1C(F)(F)F,GYRYBCPQILYHPF-UHFFFAOYSA-N,2,1,0.484,27,343,468.374,3.775,5,0.359,0.69,1.0,0.8934360222054691,0.9172606401206223,0.9367075594544583,0.8658762250702488,0.9033201117126997
EOS-2-26720,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)cn1,DMWIVHDJRYPYDJ-UHFFFAOYSA-N,2,1,0.523,27,69,468.374,3.775,5,0.284,0.69,1.0,0.8029435953670071,0.8826930984853677,0.9294342402851072,0.8356692481666781,0.8626850455760401
EOS-2-26721,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)ccc1C(F)(F)F,XHOYHTVUTCDTCG-UHFFFAOYSA-N,2,1,0.447,27,343,468.374,3.775,5,0.359,0.72,1.0,0.8569409224864643,0.8982163662531698,0.9592214378726612,0.9078455897471044,0.9055560790898499
EOS-2-26722,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)c1,VZRSAVJUWAWMNL-UHFFFAOYSA-N,2,1,0.517,27,69,468.374,3.775,5,0.359,0.69,1.0,0.8504129257761633,0.8959975327256527,0.9268727297649236,0.8417260640120622,0.8787523130697005
EOS-2-26723,COc1ncc(-c2nncc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)cc1F,FCUKULQEMGNUSC-UHFFFAOYSA-N,2,1,0.368,50,315,468.374,3.872,5,0.366,0.76,1.0,0.605347474470564,0.7917551915564389,0.9310191213761908,0.8625265574669316,0.7976620862175313
EOS-2-26724,Fc1cnnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)c1,LFLXHKRPADKKEY-UHFFFAOYSA-N,2,1,0.462,27,51,468.374,3.775,5,0.359,0.69,1.0,0.915410184360222,0.9113922966212048,0.92513364402714,0.8721557809608663,0.9060229764923583
EOS-2-26725,Fc1cnccc1COc1cncc2nnc(-c3cc(-c4ccc(C(F)(F)F)nn4)ccn3)n12,KRQOMEAJPNMBNN-UHFFFAOYSA-N,2,1,0.389,46,52,468.374,3.775,5,0.359,0.68,0.998,0.6726149681310397,0.6008498389418134,0.9333407580015077,0.8576091426221644,0.7661036769241313
EOS-2-26726,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)c(F)c5)c4)n23)cc1F,XURCWKITWXYBEF-UHFFFAOYSA-N,2,1,0.757,57,853,468.385,5.733,5,0.309,0.78,1.0,0.9932492632444657,0.989762524844082,0.9962990884791995,0.9984151189089164,0.9944314988691659
EOS-2-26727,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)c(F)c4)n23)cc1F,FZYRENKULSMSGM-UHFFFAOYSA-N,2,1,0.754,57,853,468.385,5.733,5,0.309,0.75,1.0,0.994560002741416,0.9887858954149819,0.9962219861558494,0.9982437804125831,0.9944529161812076
EOS-2-26728,N#Cc1ccc(-n2nnc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)n2)c(F)c1,MSGNOVATSXUVFZ-UHFFFAOYSA-N,2,1,0.327,10,158,468.387,3.239,6,0.382,0.74,1.0,0.06785861147282571,0.2098125556850113,0.44149647042697554,0.5911006785004455,0.32756707902131454
EOS-2-26729,Cc1ccc(F)cc1-c1noc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,AVDGEZZPUYHHQH-UHFFFAOYSA-N,2,1,0.663,1,996,468.395,4.469,5,0.345,0.73,1.0,0.8824275238160509,0.8960060996504695,0.8183040915632924,0.7777911041052704,0.8436322047837708
EOS-2-26730,COc1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)ccc1-c1nnco1,KNCJJYHLCKQQLZ-UHFFFAOYSA-N,2,1,0.536,43,138,468.395,4.448,5,0.36,0.76,1.0,0.9235830306353231,0.7614368446302515,0.9696987869234459,0.8943526831608526,0.8872678363374684
EOS-2-26731,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)o1,YKPQMGVROQZFAB-UHFFFAOYSA-N,2,1,0.561,1,138,468.395,4.448,5,0.36,0.77,1.0,0.9140651771640053,0.7953790007538893,0.9389263929819752,0.8356778150914947,0.8710120964978412
EOS-2-26732,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C(F)(F)F)o5)c4)n23)cc1,RHTNMMXQWFTMPW-UHFFFAOYSA-N,2,1,0.595,43,138,468.395,3.931,5,0.399,0.81,1.0,0.8805513672812008,0.677815091494757,0.9137996024946885,0.7777996710300871,0.8124914330751833
EOS-2-26733,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)n2)cn1,CFKPLXKEDDSBLT-UHFFFAOYSA-N,2,1,0.542,27,399,468.399,3.459,5,0.373,0.74,1.0,0.5181790144609691,0.6243060790898499,0.8878846549242684,0.7657888424371188,0.6990396477280516
EOS-2-26734,COc1cccc(COc2cncc3nnc(-c4ccc(-c5ccn(C(F)F)n5)c(F)n4)n23)n1,GXPYOKZBUTZVMW-UHFFFAOYSA-N,2,1,0.392,27,122,468.399,3.567,5,0.334,0.65,1.0,0.4981409773147831,0.5203892810636694,0.6333955863203344,0.46568946610924544,0.5294038277020081
EOS-2-26735,Cn1nncc1-c1cc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)ccn1,JAZHXIRKVZGFKD-UHFFFAOYSA-N,2,1,0.553,27,996,468.399,3.459,5,0.373,0.75,1.0,0.6193972311698992,0.6386128435336852,0.8889469536015352,0.7803269138510041,0.731820985539031
EOS-2-26736,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC(F)(F)F)cc5)n34)cc2)n1,CKFTWQNRSZNDPB-UHFFFAOYSA-N,2,1,0.632,43,431,468.399,3.459,5,0.373,0.76,1.0,0.7514906449181002,0.6680230964293057,0.8793177301076006,0.7681447467617024,0.7667440545541773
EOS-2-26737,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc2F)nn1,PURJUEWQQUKXEF-UHFFFAOYSA-N,2,1,0.635,4,996,468.399,3.301,5,0.358,0.75,1.0,0.43543108765677474,0.7703378795147694,0.7080991707216777,0.6529881433760537,0.6417140703173189
EOS-2-26738,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,PRRDQLCKBRCNFY-UHFFFAOYSA-N,2,1,0.6,27,996,468.399,3.301,5,0.358,0.65,1.0,0.5363922966212048,0.7614454115550682,0.639880748406552,0.5819169350969776,0.6299088479199507
EOS-2-26739,Cn1nc(-c2cc(F)ccn2)nc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,UCNFSBYMLFQBJZ-UHFFFAOYSA-N,2,1,0.6,36,996,468.399,3.301,5,0.358,0.72,1.0,0.6362655061339182,0.8156312110204921,0.5216828867109862,0.5334024398601878,0.626745510931396
EOS-2-26740,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc2F)n1,WOFCRIMYTGSLAH-UHFFFAOYSA-N,2,1,0.74,43,258,468.399,3.301,5,0.358,0.74,1.0,0.8134723459666918,0.8908916455349187,0.7815776848742375,0.737260982797615,0.8058006647933658
EOS-2-26741,Cn1nc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1ccc(F)nc1,KDVIBKKXVMRSEU-UHFFFAOYSA-N,2,1,0.614,27,996,468.399,3.301,5,0.335,0.71,1.0,0.5792526214789939,0.7531097937084504,0.597637242135563,0.5723819477760264,0.6255954012747584
EOS-2-26742,COCn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)ncc2F)n1,BVPFSPQPHBUVST-UHFFFAOYSA-N,2,1,0.479,73,10,468.399,3.045,5,0.359,0.55,0.974,0.4907048865739154,0.6008584058666301,0.5943732437804126,0.5911092454252621,0.569261445411555
EOS-2-26743,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ccnn1C(F)F,XZVRAGFTUMMYEG-UHFFFAOYSA-N,2,1,0.392,46,62,468.399,3.567,5,0.357,0.55,0.999,0.5264118292097869,0.44875265574669315,0.6515917346309369,0.5062452881913508,0.5332503769446919
EOS-2-26744,Cn1cnnc1-c1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F,JIAHHVWRCQNAIU-UHFFFAOYSA-N,2,1,0.659,36,996,468.399,3.301,5,0.358,0.72,1.0,0.6935782331574258,0.8542937427181139,0.7517133849633335,0.6938523747515591,0.7483594338976081
EOS-2-26745,Cc1cncc(COc2cncc3nnc(-c4cnc(-c5nc(C)nn5C(F)F)cc4F)n23)n1,JLGNLLALPZUTEF-UHFFFAOYSA-N,2,1,0.412,7,535,468.403,2.965,5,0.37,0.6,1.0,0.4807586868617641,0.47073538482626276,0.21765985881707903,0.17812350078815709,0.33681935782331573
EOS-2-26746,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)n2)nc1,VTTUHVKZDBJHPJ-UHFFFAOYSA-N,2,1,0.494,80,34,468.412,2.806,6,0.356,0.67,1.0,0.5131502295935851,0.5069563429511342,0.16423651566033856,0.1538791035569872,0.33455554794051123
EOS-2-26747,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ccon6)n5)n34)cn2)cn1,PPZNSYZKKGKVOH-UHFFFAOYSA-N,2,1,0.396,80,297,468.412,2.806,6,0.333,0.63,1.0,0.5764084024398601,0.52509252278802,0.2247190048660133,0.19197621821670893,0.3795490370776506
EOS-2-26748,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cc1-c1nnco1,OKGLLORDWJXRMY-UHFFFAOYSA-N,2,1,0.463,80,34,468.412,2.806,6,0.356,0.68,1.0,0.6333099170721678,0.5709769721060928,0.23941984785141526,0.21227126310739497,0.41399450003426774
EOS-2-26749,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cn2)cn1,NSSHQYCWNHNYIN-UHFFFAOYSA-N,2,1,0.442,6,843,468.412,2.806,6,0.333,0.63,0.999,0.5570128846549243,0.497883969570283,0.2537523130697005,0.21227983003221162,0.3802322493317798
EOS-2-26750,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCc3cnc(-c4cnccn4)cn3)n12,WVJASARXGGIVSB-UHFFFAOYSA-N,2,1,0.456,80,277,468.412,2.806,6,0.356,0.61,1.0,0.6304999657323007,0.6153964772805154,0.30481118497704063,0.2768573093002536,0.45689123432252754
EOS-2-26751,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)no2)c1,CGOWACPMCZDOMY-UHFFFAOYSA-N,2,1,0.378,80,855,468.412,2.806,6,0.356,0.71,1.0,0.5313121102049209,0.5203978479884861,0.22472757179082997,0.22966212048523063,0.3765249126173669
EOS-2-26752,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)cn2)nc1,FFVRMVNCQQTOIT-UHFFFAOYSA-N,2,1,0.435,6,843,468.412,2.806,6,0.356,0.69,1.0,0.6081145911863477,0.5341220615447879,0.22846275101089714,0.22650949215269686,0.3993022239736824
EOS-2-26753,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nn4)n23)ccc1-c1cncnc1,CMBQPINDQQVSQX-UHFFFAOYSA-N,2,1,0.484,71,117,468.412,2.806,6,0.356,0.58,1.0,0.6420053457610856,0.5385511616750052,0.3304776917277774,0.33230244671372766,0.46083416146939893
EOS-2-26754,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)no2)nn1,NDNYXXWTYIBDSN-UHFFFAOYSA-N,2,1,0.441,56,868,468.412,2.806,6,0.356,0.62,1.0,0.5880251524912617,0.5341306284696046,0.19344116236035913,0.2178226303885957,0.3833548934274553
EOS-2-26755,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nc1-c1nnco1,BFLAKPBXRLNLIL-UHFFFAOYSA-N,2,1,0.402,6,843,468.412,2.806,6,0.356,0.65,0.999,0.6817901446096909,0.5666335412240422,0.14851620862175313,0.16200054828318827,0.38973511068466865
EOS-2-26756,Fc1cnc(-c2ncnc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)cn1,DTERETRSAZUNOE-UHFFFAOYSA-N,2,1,0.432,40,59,468.412,2.806,6,0.356,0.65,1.0,0.7181995750805291,0.6290093208142006,0.16424508258515524,0.15388767048180385,0.41633541224042225
EOS-2-26757,Cn1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(-c2ccc(F)cc2)n1,QCFFJWZJOPNMHY-UHFFFAOYSA-N,2,1,0.6,43,138,468.414,4.929,5,0.342,0.82,1.0,0.7090672332259612,0.8040744294428072,0.9832002604345145,0.9648670413268453,0.8653022411075321
EOS-2-26758,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c(F)c2)cn1,VWDXXCFTELJCBN-UHFFFAOYSA-N,2,1,0.537,43,138,468.414,4.929,5,0.342,0.82,1.0,0.8388904118977452,0.827187992598177,0.9933606332670825,0.9814611746967309,0.9102250531149338
EOS-2-26759,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1-c1ccc(F)c(F)c1,LADVIFJLAIZJGP-UHFFFAOYSA-N,2,1,0.638,88,570,468.414,4.37,5,0.346,0.74,1.0,0.6878298266054417,0.6104362278116647,0.9375214173120416,0.9365961894318415,0.7930959152902474
EOS-2-26760,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C(F)F)n5)cc4)n23)c1F,XDEPSIREYIURIF-UHFFFAOYSA-N,2,1,0.591,91,660,468.414,4.95,5,0.316,0.68,1.0,0.8786580768967172,0.9210215201151395,0.9592300047974779,0.9382496059214585,0.9242898019326982
EOS-2-26761,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cc(F)cc4F)n23)cc1F,WBYLMWXBTNHCIA-UHFFFAOYSA-N,2,1,0.583,88,70,468.414,4.37,5,0.346,0.67,1.0,0.9260931396066068,0.8412463162223288,0.9508601192515934,0.9408539510657254,0.9147633815365637
EOS-2-26762,Cn1nc(-c2ccc(F)cc2)cc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,XKGCXHJIMWQHOY-UHFFFAOYSA-N,2,1,0.561,43,138,468.414,4.929,5,0.342,0.76,1.0,0.8289956137344938,0.8802001233637173,0.9823949695017477,0.962579672400795,0.9135425947501884
EOS-2-26763,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)cc2F)n1,JKQVKTHZRARMES-UHFFFAOYSA-N,2,1,0.56,43,138,468.414,4.929,5,0.342,0.72,1.0,0.8660132958673155,0.8512182167089302,0.9903365088067987,0.9741450209032966,0.9204282605715852
EOS-2-26764,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1-c1ccc(F)c(F)c1,AUSDNZITTUNPOL-UHFFFAOYSA-N,2,1,0.534,88,570,468.414,4.37,5,0.346,0.72,1.0,0.6137344938660818,0.5574754985950243,0.9325526009183743,0.9330152148584744,0.7591944520594887
EOS-2-26765,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)cc1F,MGUSSMNHOJXJPC-UHFFFAOYSA-N,2,1,0.737,91,781,468.414,4.95,5,0.316,0.73,1.0,0.8705023644712494,0.9094561716126379,0.9710266602700295,0.9538328421629771,0.9262045096292235
EOS-2-26766,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCc3cnc(-c4cnccn4)cn3)n12,PKSVNMVSFNZBBI-UHFFFAOYSA-N,2,1,0.473,80,277,468.416,1.936,6,0.381,0.66,1.0,0.5820368720444109,0.5915375916660955,0.20391851141114387,0.20328455897471043,0.3951943835240902
EOS-2-26767,Fc1cnc(-c2cnc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nc5)n34)cn2)cn1,BLDIISRIINHAEA-UHFFFAOYSA-N,2,1,0.378,86,513,468.416,1.732,6,0.352,0.6,0.992,0.29224350627098894,0.16567575902953877,0.15458159139195393,0.13679665547255157,0.18732437804125832
EOS-2-26768,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)ccc1-c1nn[nH]n1,WEMBPHVVEZRSLP-UHFFFAOYSA-N,2,1,0.439,71,614,468.416,1.936,6,0.381,0.64,1.0,0.6137430607908985,0.5709855390309094,0.18346069494894113,0.2032931258995271,0.3928706051675691
EOS-2-26769,Fc1ncccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4)n23)nn1,JECSJRIIAFVRMN-UHFFFAOYSA-N,2,1,0.433,71,826,468.416,1.936,6,0.356,0.69,0.999,0.5238246179151532,0.5069649098759509,0.1516945377287369,0.1538962374066205,0.33409507573161534
EOS-2-26770,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)nc5)n34)nn2)ccn1,TVYFNMOJXTVXND-UHFFFAOYSA-N,2,1,0.404,6,826,468.416,1.936,6,0.356,0.63,0.999,0.45205948872592694,0.47504454800904666,0.17704406826125693,0.1752707148242067,0.3198547049551093
EOS-2-26771,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nn2)nc1,MFKBQGHGMKDTLE-UHFFFAOYSA-N,2,1,0.394,6,584,468.416,1.936,6,0.381,0.57,1.0,0.5683126584881091,0.557484065519841,0.09283976423822904,0.10760914262216435,0.33156140771708587
EOS-2-26772,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)nc5)n34)nn2)nc1,PKQCIGNVDUTDTE-UHFFFAOYSA-N,2,1,0.423,6,826,468.416,1.936,6,0.381,0.59,0.948,0.5364008635460216,0.5069734768007675,0.13965800836131861,0.15143752998423685,0.3336174696730861
EOS-2-26773,Fc1ncc(-c2ncnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cn1,HYZKPOPAFBAASR-UHFFFAOYSA-N,2,1,0.417,56,425,468.416,1.936,6,0.356,0.6,1.0,0.6935868000822425,0.5666421081488588,0.12215578096086628,0.10545884449318073,0.3719608834212871
EOS-2-26774,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCc3cncc(-c4ncccn4)n3)n12,CQKJTJCYOMIDQQ-UHFFFAOYSA-N,2,1,0.429,80,156,468.416,1.936,6,0.381,0.71,1.0,0.5851038311287781,0.6008669727914467,0.1396665752861353,0.14879035021588652,0.36860693235556163
EOS-2-26775,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nn[nH]n6)c5)n34)nn2)cn1,YIBNOBQLRCNDDY-UHFFFAOYSA-N,2,1,0.363,54,826,468.416,1.936,6,0.356,0.68,0.999,0.5820454389692276,0.4837314097731478,0.21426735658967858,0.22066684942772943,0.3751777636899459
EOS-2-26776,Fc1ccc(Oc2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2)cc1,NTMKJCLBJQGWTL-UHFFFAOYSA-N,2,1,0.409,83,923,468.423,5.579,6,0.326,0.77,1.0,0.6420139126859022,0.7397967925433486,0.9138081694195052,0.912420327599205,0.8020098005619902
EOS-2-26777,FCc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6F)nc5)n34)cc2)o1,YJADLJSZNAVPFQ-UHFFFAOYSA-N,2,1,0.397,3,553,468.427,4.574,6,0.362,0.75,1.0,0.3332533753683778,0.4664347885682955,0.49046501267904874,0.5298814337605373,0.45500865259406487
EOS-2-26778,Cc1nc(-c2ccc(F)cc2F)c(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)o1,KAFJYUHESRHOCQ-UHFFFAOYSA-N,2,1,0.333,3,192,468.427,4.552,6,0.371,0.72,1.0,0.262533411006785,0.4131142485093551,0.642947707490919,0.6852768830100747,0.5009680625042835
EOS-2-26779,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(F)cn6)nc5)n34)cc2F)o1,GRHLWKGBKHAYGB-UHFFFAOYSA-N,2,1,0.349,42,693,468.427,4.552,6,0.371,0.67,1.0,0.412574532245905,0.5109742306901515,0.6680059625796724,0.6328216023576178,0.5560940819683367
EOS-2-26780,Cc1cc(-c2cc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)ccc2F)ncn1,GZXYEURORAFWRK-UHFFFAOYSA-N,2,1,0.299,3,923,468.427,4.552,6,0.371,0.65,1.0,0.39538071413885273,0.5023045027756836,0.7899647042697553,0.7706462888081694,0.6145740524981153
EOS-2-26781,FC(F)Oc1ccc(-c2nnc3cncc(-c4cccc(-c5cc6ccncc6nn5)c4)n23)cn1,KRSFTTUVYYTWBS-UHFFFAOYSA-N,2,1,0.321,42,339,468.427,4.46,6,0.365,0.57,1.0,0.515651771640052,0.6243146460146666,0.8256202453567267,0.8113648824617915,0.6942378863683092
EOS-2-26782,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cn5)n34)cc2F)o1,VQMSXVCKVDMQDW-UHFFFAOYSA-N,2,1,0.35,38,572,468.427,4.552,6,0.347,0.7,1.0,0.3308460694948941,0.4400315262833253,0.6844373243780413,0.6792372010143239,0.5336380302926462
EOS-2-26783,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)cn4)n23)cc1F,YNIWFVDXSRUPLH-UHFFFAOYSA-N,2,1,0.516,59,294,468.427,4.049,6,0.373,0.58,0.992,0.8388989788225618,0.8040829963676239,0.787805839215955,0.7869577136591049,0.8044363820163114
EOS-2-26784,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)o6)cn5)n34)c(F)c2)n1,YEUIIUXVTYQXMJ-UHFFFAOYSA-N,2,1,0.325,32,572,468.427,4.552,6,0.371,0.63,1.0,0.39317044753615243,0.4837399766979645,0.6488160509903365,0.6124751559180317,0.5345504077856212
EOS-2-26785,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)nc1F,ZDDWIHOQRPZJMV-UHFFFAOYSA-N,2,1,0.325,32,572,468.427,4.552,6,0.371,0.67,1.0,0.26254197793160167,0.3463436364882462,0.45583750257007744,0.522873689260503,0.39689920156260705
EOS-2-26786,Cc1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)cc5)n34)nc2)o1,SDXBLZOZAUHVHL-UHFFFAOYSA-N,2,1,0.34,3,550,468.427,4.552,6,0.371,0.73,1.0,0.36801795627441575,0.5069820437255843,0.6334041532451511,0.670310465355356,0.5446786546501268
EOS-2-26787,FC(F)c1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cc2)o1,SNROZBZSXDNGQI-UHFFFAOYSA-N,2,1,0.295,69,339,468.427,4.903,6,0.351,0.71,1.0,0.230039065177164,0.2555770680556507,0.6765214858474402,0.6297289424988006,0.4479666403947639
EOS-2-26788,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(-c6nnco6)cc5F)n34)cc2)cn1,JJRAGQASFFCBSL-UHFFFAOYSA-N,2,1,0.329,3,192,468.427,4.552,6,0.371,0.7,1.0,0.3308546364197108,0.46224556233294495,0.7560054142964842,0.7289424988006306,0.5695120279624426
EOS-2-26789,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2F)n1,LEEGSCJQOYKMCE-UHFFFAOYSA-N,2,1,0.325,3,923,468.427,4.552,6,0.371,0.68,1.0,0.36115584949626484,0.45325029127544375,0.7582071139743678,0.7476440956754163,0.5800643376053731
EOS-2-26790,Cc1nc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)nc5)n34)c2)no1,YKONOSQXHZTAKF-UHFFFAOYSA-N,2,1,0.32,42,106,468.427,4.552,6,0.371,0.74,1.0,0.31581968336645877,0.417808923308889,0.6927558083750257,0.7046209992461107,0.5327513535741211
EOS-2-26791,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccc(F)c6F)cn5)n34)cn2)o1,XEDIMYMPJNOGSU-UHFFFAOYSA-N,2,1,0.327,32,72,468.427,4.552,6,0.371,0.65,1.0,0.3542166403947639,0.4707439517510794,0.6898944554862586,0.6762216434788568,0.5477691727777397
EOS-2-26792,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)c(F)c6)o5)n34)cc2)nn1,DLBYXNRMKZPMSG-UHFFFAOYSA-N,2,1,0.326,3,641,468.427,4.552,6,0.371,0.7,1.0,0.35186073607018026,0.5251010897128366,0.6460318004249195,0.6616664382153382,0.5461650161058187
EOS-2-26793,Fc1ccc(Oc2ncc(F)cc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,LSEUWMOCDNWXRH-UHFFFAOYSA-N,2,1,0.4,3,834,468.427,4.709,6,0.391,0.74,1.0,0.5290847097525873,0.6008755397162634,0.7793845521211706,0.7706548557329861,0.6699999143307518
EOS-2-26794,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(F)c(F)c6)n5)n34)cc2)o1,OXABUBAPUYZCDV-UHFFFAOYSA-N,2,1,0.333,3,186,468.427,4.552,6,0.371,0.68,1.0,0.3953892810636694,0.5385597285998218,0.7133506956342951,0.7104379411966281,0.5894344116236035
EOS-2-26795,FC(F)c1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cn1,RPZVJLZFOOJZQK-UHFFFAOYSA-N,2,1,0.366,30,203,468.427,4.903,6,0.351,0.8,0.997,0.2754351997806867,0.33136865190871084,0.6248543622781166,0.6212648207799328,0.4632307586868618
EOS-2-26796,Cc1ncnc(-c2ncc(F)cn2)c1-c1nnc2cncc(-c3cnn(-c4ccc(F)cc4)c3)n12,QTHJVLJVOHYILX-UHFFFAOYSA-N,2,1,0.343,10,151,468.431,3.478,6,0.387,0.7,0.76,0.01262764717976835,0.14628024124460284,0.3231272702350764,0.41211191830580496,0.22353676924131316
EOS-2-26797,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4cnc(-c5ccc(F)cn5)cn4)n23)c1,QBDMPWYUOKWCNN-UHFFFAOYSA-N,2,1,0.31,39,314,468.431,3.384,6,0.387,0.63,1.0,0.19693646768555959,0.3222277431293263,0.4627938455212117,0.519652525529436,0.37540264546638336
EOS-2-26798,FC(F)n1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cn1,WUUPYZMRGJOCER-UHFFFAOYSA-N,2,1,0.306,94,165,468.431,3.964,6,0.374,0.74,1.0,0.09643787266122952,0.20982112260982796,0.7057004317730108,0.6359742306901515,0.4119834144335549
EOS-2-26799,Cn1cnnc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cn1,SEWRVSGSIDQWOF-UHFFFAOYSA-N,2,1,0.35,8,635,468.431,3.384,6,0.387,0.68,1.0,0.25690494140223424,0.3018727297649236,0.42664142279487355,0.45958124871496125,0.36125008566924816
EOS-2-26800,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)cn2)n1,YVYXQVSVDJILOK-UHFFFAOYSA-N,2,1,0.317,3,219,468.431,3.384,6,0.387,0.66,1.0,0.25437769858131726,0.33624323212939483,0.44506887807552603,0.5132016311424851,0.38722285998218076
EOS-2-26801,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)cc(F)c6)cc5)n34)nn2)n1,OHPSTOGLXCVRML-UHFFFAOYSA-N,2,1,0.364,3,63,468.431,3.384,6,0.387,0.74,1.0,0.23004763210198068,0.3362517990542115,0.4266499897196902,0.5463556301829895,0.384826262764718
EOS-2-26802,Cc1ncc(-c2nnc3cncc(-c4cn(-c5ncccc5F)nn4)n23)c(-c2ccc(F)cc2)n1,AREFBTXUFPPIAX-UHFFFAOYSA-N,2,1,0.315,10,872,468.431,3.478,6,0.387,0.59,0.99,0.021417312041669523,0.16961654444520594,0.3120074018230416,0.41520457816462203,0.2295614591186348
EOS-2-26803,Cc1cc(-n2cc(-c3cncc4nnc(-c5cnc(F)nc5-c5ccc(F)cc5)n34)nn2)ccn1,QSENXCOAVSWJCU-UHFFFAOYSA-N,2,1,0.315,10,872,468.431,3.478,6,0.362,0.64,0.998,0.00895243643341786,0.1462888081694195,0.44857275032554317,0.4869868412034816,0.27270020903296555
EOS-2-26804,Cn1c(-c2ccc(F)cc2F)nnc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cn3)n12,XAXNHBSCPCZXGP-UHFFFAOYSA-N,2,1,0.313,94,934,468.431,3.384,6,0.387,0.76,0.976,0.12488862997738331,0.3122729764923583,0.3867538208484682,0.4962562538551162,0.3300429202933315
EOS-2-26805,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(-c6cncnn6)cc5F)n34)cc2)n[nH]1,FZCZLKJUBSEWKY-UHFFFAOYSA-N,2,1,0.325,3,7,468.431,3.682,6,0.416,0.66,1.0,0.24652182852443286,0.3070300185045576,0.6248629292029333,0.6239805359468166,0.4505988280446851
EOS-2-26806,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cn2)nn1,YSUNJWOPRYMGMQ-UHFFFAOYSA-N,2,1,0.333,42,635,468.431,3.384,6,0.387,0.73,1.0,0.18297238023439105,0.25558563498046744,0.4802532382975807,0.49626482077993284,0.353769018573093
EOS-2-26807,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)cc1F,RUYUUDILLUHCDF-UHFFFAOYSA-N,2,1,0.313,42,314,468.431,3.384,6,0.387,0.64,1.0,0.22740901925844698,0.3510982797614968,0.4415050373517922,0.4810071276814475,0.37525486601329583
EOS-2-26808,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)c1,MWQDJMJYEDXTQW-UHFFFAOYSA-N,2,1,0.282,10,219,468.431,3.384,6,0.387,0.68,1.0,0.16622404221780548,0.3313772188335275,0.4698958261942293,0.54969673086149,0.37929845452676303
EOS-2-26809,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(F)cn5)n4)n23)c(F)c1,BZTMSFVVGOSTQF-UHFFFAOYSA-N,2,1,0.302,10,314,468.431,3.384,6,0.387,0.68,0.998,0.24122746898773217,0.36070180248098144,0.4341717497087246,0.4842539921869646,0.3800887533411007
EOS-2-26810,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ncccc6F)cc5F)n34)cn2)n[nH]1,PKZDIKCRYMEJLM-UHFFFAOYSA-N,2,1,0.314,70,693,468.431,3.682,6,0.416,0.61,1.0,0.2569135083270509,0.3607103694057981,0.4116064697416216,0.4470221369337263,0.3690631211020492
EOS-2-26811,Fc1ccc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)cc1F,AYEFDWUUGULGCW-UHFFFAOYSA-N,2,1,0.343,10,952,468.431,3.228,6,0.379,0.71,0.993,0.22741758618326366,0.3173188952093756,0.3268453156055102,0.44703070385854293,0.3296531252141731
EOS-2-26812,Cn1ncnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)cc4)n23)cn1,BJQXHXLVHQBIED-UHFFFAOYSA-N,2,1,0.35,98,167,468.431,3.384,6,0.362,0.69,1.0,0.2625505448564183,0.32674251250771025,0.43418031663354123,0.4656980330340621,0.372292851757933
EOS-2-26813,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ncc(F)cn4)n23)c(F)c1,AGXNBDBRCHHPBV-UHFFFAOYSA-N,2,1,0.314,42,902,468.431,3.384,6,0.387,0.68,1.0,0.22449626482077994,0.2710917688986361,0.3490764855047632,0.4054211500239874,0.31252141731204164
EOS-2-26814,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nc[nH]n6)c(F)c5)n34)c(F)c2)cn1,JLRIIXLMYCLANO-UHFFFAOYSA-N,2,1,0.299,42,693,468.431,3.682,6,0.416,0.61,0.968,0.24929751216503324,0.3560585292303475,0.5186244945514358,0.5261205537660202,0.41252527242820913
EOS-2-26815,COc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)o2)cn1,RJQYCEJNPUPPQE-UHFFFAOYSA-N,2,1,0.446,40,25,468.433,3.479,6,0.34,0.68,1.0,0.345212802412446,0.31228154341717496,0.23217222945651428,0.15144609690905353,0.2602781680487972
EOS-2-26816,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccoc6=O)nn5)n34)cn2)n1,VFKXCFSNOUHHLB-UHFFFAOYSA-N,2,1,0.404,6,826,468.437,1.7,6,0.354,0.51,1.0,0.19694503461037627,0.16962511137002262,0.08347611541361113,0.055153861969707355,0.12630003084092936
EOS-2-26817,COc1nc(-c2nnc3cncc(Oc4ccc(-c5nnco5)nc4)n23)ccc1-c1ccnn1C,WJDRQXBKAXSGIQ-UHFFFAOYSA-N,2,1,0.347,6,870,468.437,2.833,6,0.356,0.56,0.997,0.29764923583030634,0.1180008224247824,0.11330614762524845,0.05803234870810774,0.14674713864711122
EOS-2-26818,COc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnc(C)o6)nn5)n34)cc2)n[nH]1,LUEWSKKTFALIIM-UHFFFAOYSA-N,2,1,0.358,67,622,468.437,3.131,6,0.383,0.56,0.997,0.5031611952573504,0.3704081282982661,0.12740730587348364,0.0769395517784936,0.2694790453018984
EOS-2-26819,COc1cc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)ccc1-c1nc[nH]n1,PYQQAYCKRXUENG-UHFFFAOYSA-N,2,1,0.456,81,609,468.437,2.609,6,0.367,0.51,0.999,0.34980467411418,0.22507881570831334,0.16115242272633815,0.09511856623946269,0.20778861969707352
EOS-2-26820,COc1nc(-n2cncn2)ccc1COc1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,SVVDYSKEMSWAGN-UHFFFAOYSA-N,2,1,0.461,56,8,468.437,2.405,6,0.34,0.67,1.0,0.442618737577959,0.15016962511137003,0.1454406826125694,0.0804262901788774,0.20466383387019393
EOS-2-26821,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6nnn(C)n6)cn5)n34)cc2)o1,GZINDBUWOXKUDR-UHFFFAOYSA-N,2,1,0.424,71,614,468.441,1.709,6,0.348,0.71,1.0,0.3565040093208142,0.25049688163936673,0.018941470769652524,0.010031868960318005,0.15899355767253787
EOS-2-26822,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6noc(C)n6)cn5)n34)cn2)n[nH]1,XNGBHMUKZYTROS-UHFFFAOYSA-N,2,1,0.396,7,535,468.441,2.007,6,0.377,0.62,1.0,0.37969467479953395,0.3267510794325269,0.016439928723185525,0.007992940853951067,0.18271965595229936
EOS-2-26823,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)cc5)n34)cn2)cc1,IBTXRVXIFUOZDZ-UHFFFAOYSA-N,2,1,0.406,83,68,468.442,5.728,6,0.332,0.8,1.0,0.0737440888218765,0.41312281543417173,0.9725515728873964,0.9788996641765472,0.609579535329998
EOS-2-26824,Fc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2cncc3nnc(-c4ccc(F)cc4)n23)cc1,DUHACILUKZVFJP-UHFFFAOYSA-N,2,1,0.411,83,950,468.442,5.933,6,0.348,0.82,1.0,0.34981324103899664,0.6243232129394832,0.9381639366732918,0.9643444589130286,0.7191612123912
EOS-2-26825,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnn6)nn5C)n34)cn2)n1,IZEJVFRASSGWDY-UHFFFAOYSA-N,2,1,0.366,99,502,468.445,0.541,6,0.333,0.66,0.768,0.29507059146048936,0.2406277842505654,0.003443903776300459,0.001216503323966829,0.1350896957028305
EOS-2-26826,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccno5)n4)n23)c(F)c1,XMGFQJWOKLKMPN-UHFFFAOYSA-N,2,1,0.484,28,667,468.452,3.96,6,0.361,0.68,1.0,0.5737526557466932,0.5295473236926873,0.5619988348982249,0.48997669796449866,0.538818878075526
EOS-2-26827,Cn1nc(-c2nnc(-c3ccccc3)o2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,LMKBQKRIUNKGOO-UHFFFAOYSA-N,2,1,0.523,77,897,468.452,3.96,6,0.361,0.73,0.993,0.6569460626413542,0.7165632924405455,0.3048197519018573,0.33871907340141183,0.5042620450962922
EOS-2-26828,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)on1,OEJXYZORKNFBIN-UHFFFAOYSA-N,2,1,0.506,77,755,468.452,3.96,6,0.361,0.75,1.0,0.7454852306216161,0.6631142485093551,0.4341888835583579,0.4779230347474471,0.580177849359194
EOS-2-26829,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c(F)c1,ORSBNYHLXAZPFI-UHFFFAOYSA-N,2,1,0.518,40,190,468.452,3.96,6,0.361,0.69,1.0,0.7600747035844013,0.5204064149133028,0.6160475635665822,0.5528579261188403,0.6123466520457816
EOS-2-26830,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccc6)o5)n34)cc2F)cn1,WXYUGVYCKDPYNQ-UHFFFAOYSA-N,2,1,0.484,77,937,468.452,3.96,6,0.361,0.74,1.0,0.59952196559523,0.5868771845658283,0.45234219724487695,0.43438592282914124,0.5182818175587691
EOS-2-26831,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccccc5F)o4)n23)cc1,DJYQDNPPCLUVSC-UHFFFAOYSA-N,2,1,0.478,77,937,468.452,3.96,6,0.361,0.75,1.0,0.684805702145158,0.5709941059557261,0.3678380508532657,0.36465115482146526,0.49707225344390377
EOS-2-26832,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4conc4-c4ccc(F)cc4)n23)cc1,RFZXWCWKLKUTPE-UHFFFAOYSA-N,2,1,0.566,67,755,468.452,3.96,6,0.361,0.64,1.0,0.6906997464190254,0.5710026728805428,0.4937632787334658,0.48426255911178123,0.5599320642862038
EOS-2-26833,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5F)n34)cc2)n1,CBKZADNMIQFYOG-UHFFFAOYSA-N,2,1,0.518,77,245,468.452,3.96,6,0.361,0.63,1.0,0.7718542252073196,0.5915461585909122,0.6488246179151532,0.5660167226372421,0.6445604310876567
EOS-2-26834,COc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5F)n34)o2)n1,GHFHQMKMRUIWDC-UHFFFAOYSA-N,2,1,0.322,76,812,468.452,4.057,6,0.373,0.69,1.0,0.6109845109999315,0.5482146528682065,0.4835515043519978,0.3932561167843191,0.5090016962511137
EOS-2-26835,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cocn5)ccc4F)n23)nc1,YBXKPZGYHOQWOO-UHFFFAOYSA-N,2,1,0.415,28,177,468.452,3.96,6,0.361,0.58,1.0,0.5006853539853334,0.3895123706394353,0.62487149612775,0.5463641971078061,0.5153583544650813
EOS-2-26836,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccc(F)cc6)n5)n34)cc2)n1,WFOGPYRKKPQCBX-UHFFFAOYSA-N,2,1,0.512,77,937,468.452,3.96,6,0.361,0.73,1.0,0.5880337194160784,0.5763827016654102,0.4191539305051059,0.40542971694880403,0.49725001713384964
EOS-2-26837,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6ccc(F)cn6)nn5C)n34)cc2)o1,HWUOCNOCIQQCQP-UHFFFAOYSA-N,2,1,0.389,41,622,468.452,4.482,6,0.364,0.67,1.0,0.5442053320540059,0.6199283805085326,0.4764152559797135,0.3904204646700021,0.5077423583030635
EOS-2-26838,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(C#N)c5)n34)nc2F)ccc1=O,NBQMEGSSSOBIRO-UHFFFAOYSA-N,2,1,0.479,19,54,468.452,2.579,5,0.348,0.68,0.844,0.5792611884038106,0.37994311561921734,0.4732369268727298,0.4500119936947433,0.47061330614762525
EOS-2-26839,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccc6F)o5)n34)cc2)n1,KFXMWLGTRRQIBH-UHFFFAOYSA-N,2,1,0.473,77,937,468.452,3.96,6,0.361,0.72,1.0,0.6635340278253719,0.6290178877390172,0.4048985676101707,0.3962374066205195,0.5234219724487699
EOS-2-26840,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cc4F)n23)cc1,WWMDKURYOJHMIS-UHFFFAOYSA-N,2,1,0.543,40,8,468.452,3.96,6,0.361,0.71,1.0,0.8338187924062779,0.5816170927283942,0.5943818107052292,0.5196610924542526,0.6323696970735384
EOS-2-26841,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(F)cc5)n4)n23)cc1,RILWKDSBVFNTEL-UHFFFAOYSA-N,2,1,0.518,40,893,468.452,3.96,6,0.361,0.76,1.0,0.6393153313686519,0.5574926324446576,0.4592043040230279,0.4435782331574258,0.5248976252484409
EOS-2-26842,Cn1cc(-c2nnc3cncc(OCc4nnc(-c5ccc(F)cc5)o4)n23)c(-c2ccccc2)n1,BLIUBRMZRWCYKZ-UHFFFAOYSA-N,2,1,0.457,77,937,468.452,3.96,6,0.361,0.71,1.0,0.4520680556507436,0.506990610650401,0.29024741278870536,0.3387276403262285,0.39700842985401963
EOS-2-26843,COc1cc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)ccc1-c1cnc(C)o1,OOEHZSUMIPWCJN-UHFFFAOYSA-N,2,1,0.31,3,783,468.452,4.15,6,0.371,0.69,1.0,0.23276334726886436,0.33626036597902814,0.542140703173189,0.46893633061476253,0.395025186758961
EOS-2-26844,Cc1[nH]ncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)cc1,QQAARKYIKFRANH-UHFFFAOYSA-N,2,1,0.478,77,245,468.452,4.258,6,0.385,0.63,1.0,0.8726783633746831,0.6680316633541225,0.7031731889520938,0.6268590226852169,0.717685559591529
EOS-2-26845,COc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cnc(F)c(C#N)c1,QHNPNHXAGIAKAY-UHFFFAOYSA-N,2,1,0.47,49,501,468.452,3.284,5,0.331,0.64,0.999,0.7541635254609006,0.6826725378658077,0.5007538893838668,0.3868908916455349,0.5811202110890274
EOS-2-26846,COc1cc(-c2cccc(F)n2)ccc1-c1nnc2cncc(OCc3nnc4ccccn34)n12,IEJMCINGMPXPOU-UHFFFAOYSA-N,2,1,0.402,1,177,468.452,3.623,6,0.342,0.57,1.0,0.6109930779247481,0.5620930710712083,0.40832533753683775,0.3868994585703516,0.49207773627578644
EOS-2-26847,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cocn6)n5)n34)ccc2F)cn1,HRKKCJYSFGSPJL-UHFFFAOYSA-N,2,1,0.522,28,218,468.452,3.96,6,0.361,0.61,1.0,0.5081814131999177,0.5069991775752176,0.5911863477486121,0.5132101980673017,0.5298942841477623
EOS-2-26848,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(F)cc5)n4)n23)cc1,UMIVSXBQOUBIKO-UHFFFAOYSA-N,2,1,0.518,40,893,468.452,3.96,6,0.361,0.76,1.0,0.6966537591666095,0.5816256596532109,0.38309574395175106,0.3742803783153999,0.5089138852717429
EOS-2-26849,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5nnco5)n34)c(F)c2)cn1,ZTTSIYQWFIRXFD-UHFFFAOYSA-N,2,1,0.457,77,177,468.452,3.96,6,0.361,0.69,1.0,0.6539904735796038,0.6104447947364814,0.627604345144267,0.5660252895620588,0.6145162257556027
EOS-2-26850,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cc2F)o1,BJQZYALLZXZDFW-UHFFFAOYSA-N,2,1,0.506,77,933,468.452,4.054,6,0.36,0.75,1.0,0.46824240970461245,0.457550887533411,0.5319117949420876,0.46570659995887875,0.4808529230347474
EOS-2-26851,CCn1nc(-c2ccc(F)cc2)cc1Oc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,HHAKIEXMXTYUJR-UHFFFAOYSA-N,2,1,0.457,77,937,468.452,4.656,6,0.347,0.65,1.0,0.6053560413953807,0.6008841066410802,0.4378041258309917,0.41831437187307247,0.5155896614351313
EOS-2-26852,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccoc6)cn5)n34)cc2F)n[nH]1,RUSDFWJCTUXBPX-UHFFFAOYSA-N,2,1,0.43,40,518,468.452,4.258,6,0.385,0.65,1.0,0.7661400863546022,0.5915547255157289,0.5587605373175245,0.5030412583099171,0.6048741518744432
EOS-2-26853,Cn1c(COc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)ccc1-c1nnco1,RWADTGPGPNCETN-UHFFFAOYSA-N,2,1,0.443,81,218,468.452,3.96,6,0.361,0.59,1.0,0.5519498320882736,0.4930265231992324,0.5150006853539854,0.47203755739839626,0.5080036495099719
EOS-2-26854,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6ccno6)c5)n34)nc2)cn1,VBOBFGSLFGFIEX-UHFFFAOYSA-N,2,1,0.461,6,78,468.452,3.96,6,0.361,0.72,1.0,0.5339592899732712,0.4444777602631759,0.6765300527722569,0.596994722774313,0.5629904564457543
EOS-2-26855,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccc(F)cn6)nn5)n34)cc2)n1,CIKQWJQZFVZAEQ-UHFFFAOYSA-N,2,1,0.535,71,415,468.456,2.886,6,0.367,0.63,1.0,0.24653039544924954,0.379951682544034,0.2867521074635049,0.2737903502158865,0.29675613391816874
EOS-2-26856,Cn1c(COc2cncc3nnc(-c4ccc(-c5c[nH]cn5)cc4)n23)nnc1-c1ccc(F)cn1,UKCYKNAXEZAQHQ-UHFFFAOYSA-N,2,1,0.441,56,415,468.456,3.09,6,0.395,0.67,1.0,0.5711054759783428,0.4883147145500651,0.16739771091768899,0.21526111986841204,0.36051975532862723
EOS-2-26857,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)c(F)c2)cn1,MQFBXMPTJWHLJT-UHFFFAOYSA-N,2,1,0.448,56,415,468.456,3.09,6,0.395,0.63,1.0,0.4017031046535536,0.40369919813583716,0.515009252278802,0.44039990405044205,0.4402028647796587
EOS-2-26858,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnn(-c6ccc(F)cc6)c5)n34)cc2)n1,ZXIAURYNSUNBGZ-UHFFFAOYSA-N,2,1,0.535,67,807,468.456,2.886,6,0.367,0.76,1.0,0.45876739085737783,0.41781749023370574,0.3377681447467617,0.3323110136385443,0.3866660098690974
EOS-2-26859,Cn1cnnc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)c1,XYQODSNKLNHKPX-UHFFFAOYSA-N,2,1,0.443,16,214,468.456,3.09,6,0.395,0.64,1.0,0.6635425947501885,0.5070077445000343,0.43781269275580836,0.4088736207251045,0.504309163182784
EOS-2-26860,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nnnn4-c4cccc(F)c4)n23)cc1,KZPLWAKHRXSLHQ-UHFFFAOYSA-N,2,1,0.438,67,807,468.456,2.886,6,0.367,0.7,1.0,0.4634363648824618,0.45755945445822765,0.2716057843876362,0.3195634295113426,0.3780412583099171
EOS-2-26861,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5nnc(-c6cnn(C)c6)cc5F)n34)cc2)cn1,WTMYXYNEWBLVRS-UHFFFAOYSA-N,2,1,0.442,67,622,468.456,3.314,6,0.379,0.6,1.0,0.46344493180727847,0.5157117401137687,0.4266585566445069,0.33562641354259476,0.4353604105270372
EOS-2-26862,Cn1cc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6cnccn6)cc5F)n34)n(C)n2)cn1,LXSGMLNPHQCTPT-UHFFFAOYSA-N,2,1,0.387,71,549,468.456,3.314,6,0.379,0.71,1.0,0.3931790144609691,0.45756802138304437,0.40833390446165446,0.3356349804674114,0.39867898019326986
EOS-2-26863,Cn1cc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)cn2)cn1,BJEGLCAGPGTTSX-UHFFFAOYSA-N,2,1,0.456,56,622,468.456,3.314,6,0.379,0.66,1.0,0.3843379480501679,0.46644335549311217,0.45235076416969366,0.3709221437872661,0.4185135528750599
EOS-2-26864,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)nc2C#N)[nH]1,ICOMBTVKLZRQHZ-UHFFFAOYSA-N,2,1,0.535,44,54,468.456,2.392,5,0.385,0.59,0.93,0.6635511616750052,0.5109827976149681,0.2867606743883216,0.25301555753546706,0.4285775478034405
EOS-2-26865,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5F)nn4)n23)cc1,JGAPIZGNQOSEQQ-UHFFFAOYSA-N,2,1,0.596,67,104,468.456,2.886,6,0.367,0.57,1.0,0.3256716469056268,0.43112192447399084,0.3083064903022411,0.3257915838530601,0.34772291138372974
EOS-2-26866,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccc(F)cn6)n[nH]5)n34)cc2)cn1,BWGKNEWSHPRITO-UHFFFAOYSA-N,2,1,0.432,56,425,468.456,3.09,6,0.395,0.61,1.0,0.4858474402028648,0.5385682955246385,0.31201596874785825,0.29775203892810637,0.40854593585086696
EOS-2-26867,Cn1nc(-c2nc[nH]n2)cc1COc1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cn3)n12,RNPHAGAIVLGJPU-UHFFFAOYSA-N,2,1,0.384,4,826,468.456,3.09,6,0.395,0.63,0.998,0.39092591323418546,0.49303509012404906,0.28306832979233776,0.30411726406689055,0.3677866493043657
EOS-2-26868,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-n5cccn5)n4)n23)c(F)c1,CXDTWWWAPCZSGX-UHFFFAOYSA-N,2,1,0.454,71,547,468.456,2.886,6,0.367,0.58,1.0,0.2754437667055034,0.3654478788294154,0.31579398259200875,0.2887482009457885,0.311358457268179
EOS-2-26869,COc1c[nH]nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)cc4F)n23)nc1,ZFCADKVBODUZMD-UHFFFAOYSA-N,2,1,0.305,96,154,468.456,3.485,6,0.393,0.6,0.791,0.4310790898499075,0.4930436570488657,0.3490850524295799,0.28875676787060517,0.39049114179973954
EOS-2-26870,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)cn5)n34)cc2F)n[nH]1,RASXZMKHZKNPNK-UHFFFAOYSA-N,2,1,0.485,4,932,468.456,3.184,6,0.395,0.58,1.0,0.3909344801590021,0.41313138235898844,0.47642382290453017,0.3994328695771366,0.4199806387499143
EOS-2-26871,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)c(F)c2)nn1,WLUADLZQYXPGJL-UHFFFAOYSA-N,2,1,0.484,71,547,468.456,2.886,6,0.367,0.65,1.0,0.24930607908984992,0.37996024946885065,0.38310431087656777,0.33564354739222807,0.3370035467068741
EOS-2-26872,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnn(-c6ncc(F)cn6)c5)n34)cc2)n1,QUWLINCBELZLDK-UHFFFAOYSA-N,2,1,0.473,56,415,468.456,2.886,6,0.367,0.7,1.0,0.4471934754300596,0.37041669522308274,0.2830768967171544,0.23844321842231514,0.33478257144815293
EOS-2-26873,Cn1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)nc1F,LWUYWACONHCDHS-UHFFFAOYSA-N,2,1,0.505,40,763,468.456,3.09,6,0.395,0.62,1.0,0.5006939209101501,0.5341391953944212,0.2680419436639024,0.2296706874100473,0.3831364368446302
EOS-2-26874,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cncc(F)c5)cc4)n23)n(C)n1,WRMYSRNKYXCIIM-UHFFFAOYSA-N,2,1,0.375,67,789,468.456,3.314,6,0.379,0.76,1.0,0.4634534987320951,0.5204149818381194,0.2757607429237201,0.28573264341032145,0.38634046672606404
EOS-2-26875,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)cn2)cn1,QYHDCBAGQHZANX-UHFFFAOYSA-N,2,1,0.446,67,765,468.456,3.314,6,0.379,0.72,1.0,0.42411417997395656,0.5432287026249057,0.4012918922623535,0.34505003084092933,0.4284212014255363
EOS-2-26876,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ncc(-c5ccnn5C)cc4F)n23)cc1,WQGNMYNGPVAKSZ-UHFFFAOYSA-N,2,1,0.396,67,789,468.456,3.314,6,0.379,0.73,1.0,0.45207662257556025,0.46225412925776166,0.3413919539442122,0.27379891714070315,0.38238040572955934
EOS-2-26877,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnn(-c6ccc(F)cc6)n5)n34)cc2)n1,SAVAHISWBCONTE-UHFFFAOYSA-N,2,1,0.473,67,288,468.456,2.886,6,0.367,0.61,1.0,0.3611644164210815,0.4311304913988075,0.2284713179357138,0.25619388664245085,0.3192400280995134
EOS-2-26878,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)ncc1F,ZIVKVHFDAPAAKP-UHFFFAOYSA-N,2,1,0.468,56,425,468.456,3.09,6,0.395,0.63,1.0,0.5597200328969913,0.45325885820026046,0.44151360427660885,0.364659721746282,0.45478805428003566
EOS-2-26879,Cn1cncc1-c1nc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)ccc1F,JXNBVYGEFDHCJJ-UHFFFAOYSA-N,2,1,0.468,56,425,468.456,3.09,6,0.395,0.66,1.0,0.6081231581111645,0.5432372695497224,0.36415427318209853,0.3041258309917072,0.45491013295867316
EOS-2-26880,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)n1C,MLMNLSBIXGZPER-UHFFFAOYSA-N,2,1,0.456,67,722,468.456,3.612,6,0.407,0.71,1.0,0.5107086560208347,0.5204235487629361,0.290255979713522,0.2709461311767528,0.3980835789185114
EOS-2-26881,Cc1coc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnc(CF)n6C)nc5)n34)cc2)n1,ORARWHSYHGEQNH-UHFFFAOYSA-N,2,1,0.295,98,42,468.456,3.477,6,0.374,0.7,1.0,0.17148413405523952,0.16963367829483927,0.0470238503186896,0.055162428894524024,0.1108260228908231
EOS-2-26882,Fc1cc(-c2nnc3cncc(OCCc4ccc(-n5ccnc5)cc4)n23)ccc1-c1nn[nH]n1,XJOWLJHCECQYOO-UHFFFAOYSA-N,2,1,0.571,91,6,468.456,2.918,6,0.379,0.73,1.0,0.6480707285312864,0.5070163114248509,0.4971986155849496,0.4689448975395792,0.5303076382701666
EOS-2-26883,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cn5)n34)cc2F)n[nH]1,GTNAWHCUOGRJQY-UHFFFAOYSA-N,2,1,0.49,4,932,468.456,3.184,6,0.395,0.62,0.999,0.3282417243506271,0.3844150503735179,0.4592128709478446,0.39326468370913575,0.3912835823452814
EOS-2-26884,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-n5cccn5)n4)n23)cc1,FZHSPRAPCTXYMB-UHFFFAOYSA-N,2,1,0.484,56,415,468.456,2.886,6,0.367,0.64,1.0,0.38190494140223424,0.3752655746693167,0.22847988486053047,0.20330169282434377,0.2972380234391063
EOS-2-26885,COc1ccc(-c2nn[nH]n2)cc1-c1cncc2nnc(-c3ccc(-c4cncn4C)cc3F)n12,MCCJJZHZKZAYQY-UHFFFAOYSA-N,2,1,0.33,61,697,468.456,3.187,6,0.409,0.75,1.0,0.342736961140429,0.3844236172983346,0.5387824686450552,0.45624014803646085,0.4305457987800699
EOS-2-26886,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6ccccc6F)n5)n34)nc2)n[nH]1,HVKOBNMQVLWHOM-UHFFFAOYSA-N,2,1,0.33,44,807,468.456,3.184,6,0.395,0.63,0.698,0.3183383592625591,0.34635220341306283,0.2428466177780824,0.24692447399081627,0.28861541361113013
EOS-2-26887,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6ccccc6)n5)n34)nc2F)n1,KKKWACKRKQNSSE-UHFFFAOYSA-N,2,1,0.354,10,807,468.456,2.886,6,0.343,0.51,0.976,0.2245048317455966,0.27627475841272015,0.17705263518607361,0.1726663696799397,0.2126246487560825
EOS-2-26888,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)c(F)c5)n34)nc2)cn1,RDHIBOPKMRGKPF-UHFFFAOYSA-N,2,1,0.426,56,197,468.456,3.09,6,0.395,0.7,1.0,0.5851123980535947,0.529555890617504,0.4558460694948941,0.39042903159481873,0.4902358474402028
EOS-2-26889,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)n(C)n1,BYHWATLJSGUIKH-UHFFFAOYSA-N,2,1,0.365,67,789,468.456,3.314,6,0.354,0.68,1.0,0.4446747995339593,0.5482232197930231,0.28308546364197107,0.27686587622507025,0.3882123397985059
EOS-2-26890,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6ccc(F)cc6)n5)n34)cc2)n1,SFEHDHKOXBTIST-UHFFFAOYSA-N,2,1,0.467,67,807,468.456,2.886,6,0.367,0.7,1.0,0.41487046809677197,0.4037077650606538,0.28676924131313825,0.28287985744637106,0.3470568329792338
EOS-2-26891,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnn(C)n6)cnc5F)n34)cc2)n(C)n1,YXYRCWUSCPRMDU-UHFFFAOYSA-N,2,1,0.321,98,882,468.46,2.287,6,0.358,0.61,1.0,0.18298094715920774,0.22508738263313002,0.06585395106572545,0.06745596600644232,0.13534456171612638
EOS-2-26892,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)cnc1C(F)F,KQXWOHGNCKQJEI-UHFFFAOYSA-N,2,1,0.511,75,496,468.464,5.008,5,0.334,0.66,1.0,0.8314286203824275,0.7873603591254883,0.8555359468165308,0.7916009869097389,0.8164814783085463
EOS-2-26893,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nc1C(F)F,UHCNQDFTVCYGCB-UHFFFAOYSA-N,2,1,0.568,11,275,468.464,5.008,5,0.334,0.62,1.0,0.9195565759714893,0.9313446645192242,0.8201545473236926,0.7527157151668837,0.8559428757453225
EOS-2-26894,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)ccn2)cs1,NGVHXIYBCHQFTJ-UHFFFAOYSA-N,2,1,0.518,24,805,468.464,5.216,5,0.352,0.8,1.0,0.7514992118429169,0.6778236584195737,0.955434857103694,0.8902833938729354,0.81876028030978
EOS-2-26895,Cc1snnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(F)c1,OPKFRIOPOWHEJN-UHFFFAOYSA-N,2,1,0.541,43,138,468.464,5.274,5,0.338,0.75,1.0,0.7454937975464327,0.7614539784798848,0.905121307655404,0.8806113357549175,0.8231701048591598
EOS-2-26896,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(C(F)(F)F)c5)n34)cn2)cs1,KODLJIMTLDMELT-UHFFFAOYSA-N,2,1,0.5,1,805,468.464,5.216,5,0.352,0.78,1.0,0.7832225344390378,0.7917637584812556,0.9508686861764101,0.8833613186210678,0.8523040744294428
EOS-2-26897,c1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnsn6)nc5)n34)nc2)cn1,YZEMCZITMOYEIN-UHFFFAOYSA-N,2,1,0.385,80,855,468.466,1.926,6,0.35,0.6,1.0,0.31334384209444177,0.32675964635734356,0.0504848879446234,0.04852306216160647,0.1847778596395038
EOS-2-26898,Cn1nc(OC(F)F)c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc21,BSQKXVVFZNHHJX-UHFFFAOYSA-N,2,1,0.38,93,107,468.467,5.613,6,0.329,0.73,1.0,0.5007024878349667,0.5816342265780275,0.9040418751285039,0.8902919607977521,0.7191676375848125
EOS-2-26899,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5)n34)c(F)c2)[nH]c1F,UQASGIHYAZQRAG-UHFFFAOYSA-N,2,1,0.302,9,867,468.471,4.836,6,0.4,0.65,1.0,0.30018504557604003,0.3511068466863135,0.7368069357823316,0.7075166198341444,0.5239038619697074
EOS-2-26900,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)c2)cs1,KWDLHRSOUOUBHO-UHFFFAOYSA-N,2,1,0.543,15,684,431.525,3.887,5,0.406,0.84,1.0,0.23569323555616475,0.2658916455349188,0.142536495099719,0.09713179357137962,0.18531329244054554
EOS-2-26901,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)cc2)nc1,UWKLJGJADIZRMQ-UHFFFAOYSA-N,2,1,0.338,69,958,431.524,6.249,6,0.331,0.77,1.0,0.11695565759714893,0.17843191008155712,0.8379394832430951,0.8557758207113975,0.49727571790829966
EOS-2-26902,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)cc1,VEAAVWXMOUXURD-UHFFFAOYSA-N,2,1,0.403,21,810,431.524,6.249,6,0.331,0.77,1.0,0.1857309300253581,0.23015900212459736,0.8330220683983277,0.8609673771502981,0.5274698444246453
EOS-2-26903,c1ccc(-c2ccc(-c3nnc4cncc(-c5cscc5-c5ccccc5)n34)nc2)cc1,FDMSWNXBMUZDRF-UHFFFAOYSA-N,2,1,0.318,93,737,431.524,6.249,6,0.331,0.68,1.0,0.06579398259200878,0.09893084778287986,0.7517219518881503,0.8197776026317593,0.43405609622369956
EOS-2-26904,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)s5)n34)cc2)cc1,CXIRFMJLMRKIGN-UHFFFAOYSA-N,2,1,0.397,93,651,431.524,6.249,6,0.331,0.74,1.0,0.14677712288396957,0.2406363511753821,0.7391628401069152,0.7869662805839216,0.47838564868754707
EOS-2-26905,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cc5)n34)cn2)cc1,RDXUBZFSGXYHRB-UHFFFAOYSA-N,2,1,0.365,69,695,431.524,6.249,6,0.331,0.84,1.0,0.11425707627989856,0.182561167843191,0.7815862517990542,0.819786169556576,0.47454766636967993
EOS-2-26906,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)cc2)cc1,IZDRUIMFTYDPIM-UHFFFAOYSA-N,2,1,0.41,21,810,431.524,6.249,6,0.331,0.74,1.0,0.18008532657117401,0.22509594955794668,0.8426941265163457,0.8674097046124323,0.5288212768144747
EOS-2-26907,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)cc2)cc1,PMINOAJZDZICKS-UHFFFAOYSA-N,2,1,0.354,93,651,431.524,6.249,6,0.331,0.8,1.0,0.15800836131862106,0.26590021245973544,0.7793931190459873,0.8217651291892263,0.5062667055033925
EOS-2-26908,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cc2)cc1,CBARQRLMIWTCCL-UHFFFAOYSA-N,2,1,0.397,93,651,431.524,6.249,6,0.331,0.81,1.0,0.14678568980878623,0.1784404770063738,0.8201631142485094,0.8526060585292303,0.49949883489822494
EOS-2-26909,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cccs6)c5)n34)nc2)cc1,YFMBXQPXOOLSNK-UHFFFAOYSA-N,2,1,0.3,30,737,431.524,6.249,6,0.331,0.82,1.0,0.06786717839764238,0.12136762387773285,0.7678020697690358,0.8217736961140429,0.4447026420396135
EOS-2-26910,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cc5)n34)cc2)cc1,GVZWMUCLONVJAW-UHFFFAOYSA-N,2,1,0.403,21,810,431.524,6.249,6,0.331,0.84,1.0,0.1634226578027551,0.22510451648276333,0.7987886368309232,0.827573504214927,0.5037223288328421
EOS-2-26911,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)nc5)n34)cc2)cc1,UKWFAUUKWAFPSG-UHFFFAOYSA-N,2,1,0.391,93,987,431.524,6.249,6,0.331,0.81,1.0,0.16068124186142144,0.2147899390034953,0.8240353642656432,0.8491107532040298,0.5121543245836474
EOS-2-26912,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)cc2)cc1,XQTMAQSUTAUQSQ-UHFFFAOYSA-N,2,1,0.391,93,651,431.524,6.249,6,0.331,0.83,1.0,0.18573949695017478,0.23500788157083133,0.789973271194572,0.8275820711397437,0.5095756802138305
EOS-2-26913,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cc2)cc1,IZEIJRRABKBJGY-UHFFFAOYSA-N,2,1,0.41,21,810,431.524,6.249,6,0.331,0.74,1.0,0.18009389349599067,0.22511308340758002,0.8427026934411623,0.867418271537249,0.5288319854704955
EOS-2-26914,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccns6)cc5)n34)cc2)cc1,MLTAJIIPMWEJMQ-UHFFFAOYSA-N,2,1,0.41,21,810,431.524,6.249,6,0.331,0.76,1.0,0.19407511479679254,0.17844904393119046,0.8330306353231444,0.8642142416558152,0.5174422589267356
EOS-2-26915,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nccs6)c5)n34)cc2)cc1,CRVGYISSNMHVFQ-UHFFFAOYSA-N,2,1,0.385,21,810,431.524,6.249,6,0.331,0.85,1.0,0.14993831814132,0.20032896991296004,0.7878144061407717,0.8217822630388596,0.48996598930847785
EOS-2-26916,Fc1cc(-c2cccnn2)cnc1Oc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,VMFVHNPWPXQLFJ-UHFFFAOYSA-N,2,1,0.38,41,120,468.477,4.698,6,0.359,0.68,1.0,0.645012336371736,0.6631228154341717,0.5620074018230417,0.5228822561853197,0.5982562024535674
EOS-2-26917,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5cccc(-c6nccs6)n5)n34)c2)nc1,DJCQJQHPKSEPJM-UHFFFAOYSA-N,2,1,0.347,28,297,468.477,4.698,6,0.359,0.64,1.0,0.5654513055993421,0.5204321156877527,0.4083424713864711,0.39624597354533614,0.47261796655472554
EOS-2-26918,Fc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccccc6)nn5)n34)cc2)s1,ASBCZZGTSIXXFI-UHFFFAOYSA-N,2,1,0.422,12,897,468.477,4.698,6,0.359,0.76,1.0,0.8338273593310945,0.7398053594681653,0.40490713453498733,0.4088821876499212,0.5968555102460421
EOS-2-26919,COc1ccc(-c2nnc3cncc(OCc4ncc(-c5nncs5)s4)n23)cc1[N+](=O)[O-],DJJZWZHYXMEMFP-UHFFFAOYSA-N,2,1,0.479,4,224,468.48,3.262,5,0.258,0.66,1.0,0.38434651497498457,0.21972448769789596,0.04069289287917209,0.0074617915153176615,0.16305642176684257
EOS-2-26920,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cnc(C)o5)cc4)n23)n(C)n1,LAQIMAHVRCUXNY-UHFFFAOYSA-N,2,1,0.364,67,789,468.481,3.559,6,0.36,0.61,1.0,0.265137756151052,0.2505054485641834,0.07008601192515934,0.045773079295456105,0.1578755739839627
EOS-2-26921,N=c1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(F)nn6)s5)n34)cc2)c[nH]1,PIUNHTODKHTBBA-UHFFFAOYSA-N,2,1,0.287,38,725,468.481,3.38,6,0.405,0.58,0.998,0.12489719690219998,0.235016448495648,0.3231358371598931,0.3258001507778768,0.25221240833390446
EOS-2-26922,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cn(-c5ccoc5)nn4)n23)c1,GRYKPHMCSMAXNE-UHFFFAOYSA-N,2,1,0.343,18,211,468.481,2.865,6,0.331,0.53,1.0,0.07185079843739291,0.007641696936467685,0.08092317181824413,0.067464532931259,0.05697005003084092
EOS-2-26923,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n(C)n2)n1C,HSZWYMRTSVVWGV-UHFFFAOYSA-N,2,1,0.436,71,415,468.481,2.863,6,0.362,0.59,0.991,0.3054708381879241,0.24064491810019875,0.05049345486944007,0.039476389555205264,0.15902140017819205
EOS-2-26924,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnn6)cn5)n34)cc2)sc1F,NRZMWONGAKOKMK-UHFFFAOYSA-N,2,1,0.31,42,167,468.481,3.671,6,0.381,0.62,1.0,0.18574806387499143,0.25051401548900004,0.20392707833596052,0.2090929340004112,0.2123205229250908
EOS-2-26925,c1ccc(-n2cc(-c3cncc4nnc(-c5ccnc(-c6cc7ccccc7nn6)n5)n34)cn2)cc1,IKSQYHWOORSSLC-UHFFFAOYSA-N,2,1,0.232,30,195,468.484,4.044,7,0.38,0.67,0.013,0.0032896991296004385,0.009038105681584538,0.2464104585018162,0.3356521143170448,0.14859759440751147
EOS-2-26926,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnnn6C)n5C)n34)cn2)cn1,BCODQCFUOHXQCV-UHFFFAOYSA-N,2,1,0.398,92,502,468.485,1.695,6,0.358,0.56,1.0,0.18861798368857516,0.19101672263724215,0.0542886025632239,0.035047289424988005,0.1172426495785073
EOS-2-26927,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)n(C)n1,IZOCDLQROFXMOS-UHFFFAOYSA-N,2,1,0.367,67,789,468.485,2.391,6,0.361,0.58,1.0,0.2811065040093208,0.22512165033239667,0.024621341923103283,0.016542731820985538,0.13684805702145159
EOS-2-26928,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nn(C)n6C)ncn5)n34)nc2)n[nH]1,QAXZVTQFUVDZCU-UHFFFAOYSA-N,2,1,0.356,31,662,468.485,1.993,6,0.388,0.6,0.235,0.2729936262079364,0.21479850592831198,0.024629908847919952,0.013313001165101776,0.13143376053731753
EOS-2-26929,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)nn4C)n23)cc1,VXKNALUWHJUJGY-UHFFFAOYSA-N,2,1,0.436,56,614,468.485,1.695,6,0.358,0.58,1.0,0.29765780275512305,0.21973305462271264,0.024638475772736618,0.01720238503186896,0.1398079295456103
EOS-2-26930,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5csc(-c6ccccc6)n5)n34)c(F)c2)nc1,NWJBCKSOIGWFEF-UHFFFAOYSA-N,2,1,0.373,30,93,468.492,5.922,6,0.321,0.68,1.0,0.19408368172160922,0.4664519224179289,0.8167534781714756,0.8557843876362141,0.5832683674868069
EOS-2-26931,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)cn6)s5)n34)cn2)cc1,WOFQFMNGZWUGRF-UHFFFAOYSA-N,2,1,0.37,32,126,468.492,5.922,6,0.321,0.72,1.0,0.21346206565691178,0.5157203070385854,0.8569923240353643,0.8863169076828181,0.6181229011034199
EOS-2-26932,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)s5)n34)cc2)n1,XSFGXKPYOYYZRX-UHFFFAOYSA-N,2,1,0.338,69,479,468.492,5.922,6,0.3,0.5,1.0,0.3133524090192584,0.4883232814748818,0.8616270303611816,0.872164347885683,0.6338667671852513
EOS-2-26933,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)cc6)s5)n34)cc2)cc1,WKLTZXUWLHZXHY-UHFFFAOYSA-N,2,1,0.433,83,950,468.492,5.922,6,0.321,0.7,1.0,0.22166917963127955,0.5666506750736755,0.833039202247961,0.8972140360496196,0.629643273250634
EOS-2-26934,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nccs6)ccc5F)n34)cn2)cc1,KVHQVPQASHTSLC-UHFFFAOYSA-N,2,1,0.37,69,484,468.492,5.922,6,0.321,0.81,1.0,0.19695360153519292,0.46646048934274553,0.887893221849085,0.9067832910698376,0.6145226509492152
EOS-2-26935,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)n6)s5)n34)cc2)cc1,VTRRPAUVISKECU-UHFFFAOYSA-N,2,1,0.449,93,74,468.492,5.922,6,0.321,0.7,1.0,0.3078524432869577,0.5482317867178398,0.8715132615996162,0.8972226029744363,0.6562050236447126
EOS-2-26936,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6F)nc5)n34)s2)c1,PFLBEXTUSYAQTM-UHFFFAOYSA-N,2,1,0.39,30,192,468.492,5.922,6,0.321,0.72,1.0,0.18575663079980811,0.3988931533136865,0.829638133095744,0.8791892262353506,0.5733692858611473
EOS-2-26937,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccns5)s4)n23)cc1F,OJVTXLYPVXRECK-UHFFFAOYSA-N,2,1,0.462,89,788,468.499,2.844,5,0.404,0.71,1.0,0.3887242135563018,0.3654564457542321,0.07224487697895964,0.06254711808649167,0.22224316359399632
EOS-2-26938,Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(C#N)cc5)cc4)n23)cc1,OIJOXAKMMWMEAW-UHFFFAOYSA-N,2,1,0.815,79,497,431.499,5.26,5,0.367,0.82,1.0,0.9962134192310328,0.9890771708587486,0.9119662805839216,0.8863254746076349,0.9458955863203344
EOS-2-26939,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)cc2)o1,XHHRFCZYZLSGHN-UHFFFAOYSA-N,2,1,0.483,81,117,468.502,4.247,6,0.353,0.65,1.0,0.4587759577821945,0.4222123226646563,0.22142073881159618,0.18631348091289152,0.3221806250428346
EOS-2-26940,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cc2)no1,DVZXYEDHOZIHMC-UHFFFAOYSA-N,2,1,0.553,40,25,468.502,4.247,6,0.353,0.64,1.0,0.45661709272839424,0.43113905832362415,0.2537608799945172,0.19456342951134262,0.33402011513946955
EOS-2-26941,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6ccoc6)n5)n34)nc2)nn1,VIKBEWQBPPEQER-UHFFFAOYSA-N,2,1,0.402,6,826,468.502,4.247,6,0.353,0.63,0.998,0.24123603591254883,0.30188129668974023,0.18346926187375778,0.14648584744020288,0.21826811047906244
EOS-2-26942,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccc6)s5)n34)cc2)o1,BXJACRIITYTMJW-UHFFFAOYSA-N,2,1,0.5,77,937,468.502,4.247,6,0.353,0.7,1.0,0.4566256596532109,0.457576588307861,0.10260605852923035,0.10761770954698102,0.2811065040093208
EOS-2-26943,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4csc(C)n4)nc3)n12,QVAVPUMDIWABQZ-UHFFFAOYSA-N,2,1,0.303,32,727,468.502,4.344,6,0.364,0.71,0.606,0.2976663696799397,0.16964224521965596,0.29381982043725585,0.2091015009252279,0.24255748406551986
EOS-2-26944,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)s4)n23)nc1,DSXALFWYUWXLBK-UHFFFAOYSA-N,2,1,0.441,6,34,468.502,4.247,6,0.353,0.61,0.998,0.3909430470838188,0.36546501267904874,0.18672469330409155,0.15928483311630456,0.2756043965458159
EOS-2-26945,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)ccn2)s1,WYCDPPADJFTRIN-UHFFFAOYSA-N,2,1,0.489,40,2,468.502,4.247,6,0.353,0.67,1.0,0.5007110547597834,0.4178260571585224,0.24641902542663285,0.2152696867932287,0.3450564560345418
EOS-2-26946,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4csc(C)n4)cn3)n12,JRBKLCDSCHDEQY-UHFFFAOYSA-N,2,1,0.267,32,179,468.502,4.344,6,0.364,0.68,0.783,0.22742615310808031,0.10885991364539785,0.29761496813103966,0.2122883969570283,0.2115473579603865
EOS-2-26947,Cc1csc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cc2)n1,NGEVIQVEYJSLIX-UHFFFAOYSA-N,2,1,0.612,40,2,468.502,4.247,6,0.353,0.62,1.0,0.5238331848399699,0.38952093756425193,0.24285518470289905,0.18364916729490782,0.3349646186005072
EOS-2-26948,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)n2)no1,VXZAFVBAXJQEOX-UHFFFAOYSA-N,2,1,0.468,6,297,468.502,4.247,6,0.353,0.61,1.0,0.3658676581454321,0.42660715509560687,0.13037146186005072,0.11711842916866562,0.2599911760674388
EOS-2-26949,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccnc(-c6cnco6)n5)n34)c2)s1,LNPCWTVTYPCZPB-UHFFFAOYSA-N,2,1,0.495,40,25,468.502,4.247,6,0.353,0.68,1.0,0.3819135083270509,0.34114351312452884,0.21427592351449523,0.16714070317318896,0.27611841203481596
EOS-2-26950,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)s5)n34)c2)o1,WIVIFMWOQBKPSG-UHFFFAOYSA-N,2,1,0.4,80,414,468.502,4.247,6,0.353,0.57,1.0,0.40367349736138713,0.3267682132821602,0.19685936536220958,0.14379583304776916,0.2677742272633815
EOS-2-26951,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cn5)n34)cn2)no1,LYGTYFOAMPNLSC-UHFFFAOYSA-N,2,1,0.489,80,200,468.502,4.247,6,0.353,0.65,1.0,0.3843550818998012,0.3799688163936673,0.21428449043931191,0.18365773421972448,0.29056653073812627
EOS-2-26952,COc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cnc(C)o4)nc3)n12,JGFSYYKDDVGPAN-UHFFFAOYSA-N,2,1,0.295,42,339,468.502,4.344,6,0.364,0.68,0.979,0.1969621684600096,0.1284867384003838,0.34909361935439653,0.25889246795970117,0.23335874854362276
EOS-2-26953,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cc2)o1,DGNJPVGGFUYDMW-UHFFFAOYSA-N,2,1,0.54,81,25,468.502,4.247,6,0.353,0.6,1.0,0.39954423959975327,0.41783462408333905,0.2716143513124529,0.20628298266054418,0.32381904941402234
EOS-2-26954,CCOc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,UPGXDGNNPXGOJT-UHFFFAOYSA-N,2,1,0.366,9,340,468.502,4.426,6,0.35,0.64,1.0,0.21612637927489547,0.18256973476800767,0.39412137619080256,0.3289013775615105,0.28042971694880403
EOS-2-26955,Cc1csc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)n1,BCQGHPJFGBKPBD-UHFFFAOYSA-N,2,1,0.5,81,609,468.502,4.247,6,0.353,0.62,1.0,0.4148790350215886,0.4037163319854705,0.19002295935850866,0.14649441436501953,0.2887781851826468
EOS-2-26956,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)nc5)n34)cc2)o1,RIJROGWWPRTIQB-UHFFFAOYSA-N,2,1,0.583,40,2,468.502,4.247,6,0.353,0.6,1.0,0.4354396545815914,0.37527414159413336,0.3452213693372627,0.27095469810156947,0.3567224659036392
EOS-2-26957,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncs6)cn5)n34)cc2)o1,MXUKMRDTGGDSAE-UHFFFAOYSA-N,2,1,0.548,40,25,468.502,4.247,6,0.353,0.65,1.0,0.4059265985881708,0.3989017202385032,0.2830940305667877,0.21783119731341238,0.32643838667671854
EOS-2-26958,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)cs1,AQEGLBWLYPIHJJ-UHFFFAOYSA-N,2,1,0.522,11,655,431.496,4.984,5,0.379,0.72,1.0,0.7485778904804331,0.744405798094716,0.6601415255979713,0.6416626687684189,0.6986969707353848
EOS-2-26959,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncs6)n5)n34)cc2)n[nH]1,GRJQHUOHDCINQC-UHFFFAOYSA-N,2,1,0.432,56,425,468.506,3.377,6,0.39,0.69,1.0,0.41488760194640534,0.4266157220204235,0.13329278322253443,0.10350558563498047,0.26957542320608596
EOS-2-26960,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncs5)cn4)n23)cn1,ZRKCAMIOVPXLOU-UHFFFAOYSA-N,2,1,0.387,80,855,468.506,3.079,6,0.363,0.62,1.0,0.43544822150640805,0.33626893290384485,0.10789185114111438,0.08215680899184429,0.24044145363580288
EOS-2-26961,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)cc1,ZCVWSKDIABKBDQ-UHFFFAOYSA-N,2,1,0.472,71,117,468.506,3.079,6,0.363,0.6,1.0,0.32568021383044343,0.2197416215475293,0.12741587279830033,0.11712699609348229,0.19749117606743885
EOS-2-26962,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnc5)s4)n23)cn1,LKMJSHMZQCBJRL-UHFFFAOYSA-N,2,1,0.43,6,843,468.506,3.079,6,0.363,0.64,1.0,0.31336097594407514,0.26047734905078473,0.05240387910355699,0.04853162908642314,0.16869345829621002
EOS-2-26963,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccs5)n4)n23)cc1,QCBDGVJNFRLWRM-UHFFFAOYSA-N,2,1,0.457,56,415,468.506,3.079,6,0.363,0.62,1.0,0.3995528065245699,0.2970752518675896,0.09061236378589542,0.08043485710369405,0.21691881982043726
EOS-2-26964,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)cn4)n23)cc1,PKHHPTLVLOXRES-UHFFFAOYSA-N,2,1,0.476,56,197,468.506,3.079,6,0.363,0.65,1.0,0.45432972380234393,0.3313857857583442,0.11056473168391474,0.11246658899321499,0.2521867075594545
EOS-2-26965,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5cscn5)n4)n23)cc1,YPOCKCUQTCPUBO-UHFFFAOYSA-N,2,1,0.422,56,428,468.506,3.079,6,0.363,0.61,1.0,0.48585600712768146,0.33139435268316086,0.09756013981221301,0.0839130285792612,0.24968088205057912
EOS-2-26966,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)s4)n23)cn1,HROXYTWXVZJPHY-UHFFFAOYSA-N,2,1,0.442,80,34,468.506,3.079,6,0.363,0.56,1.0,0.377398738948667,0.3411520800493455,0.07867007059146049,0.06255568501130834,0.21494414365019535
EOS-2-26967,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncs5)n4)n23)cn1,XMIJKODLXGFQCH-UHFFFAOYSA-N,2,1,0.404,80,34,468.506,3.079,6,0.363,0.65,1.0,0.3680265231992324,0.3314029196079775,0.10790041806593105,0.08558357891851141,0.2232283599479131
EOS-2-26968,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nn5)n34)cc2)cs1,QEKKPCZINXOWRS-UHFFFAOYSA-N,2,1,0.442,81,415,468.506,3.173,6,0.363,0.66,0.977,0.3256887807552601,0.2659087793845521,0.1364711123295182,0.10762627647179768,0.20892373723528201
EOS-2-26969,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nn2)cn1,HLFXBIHDWBXPAP-UHFFFAOYSA-N,2,1,0.418,71,197,468.506,3.079,6,0.363,0.67,1.0,0.3633918168734151,0.34636077033787954,0.11639880748406552,0.09921355630182989,0.23134123774929752
EOS-2-26970,Cn1nc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4cccs4)cn3)n12,KUAXLHVLCDFEMA-UHFFFAOYSA-N,2,1,0.389,6,826,468.506,3.079,6,0.363,0.69,0.308,0.30786101021177437,0.27110033582345283,0.030121307655404016,0.037034815982454936,0.16152936741827154
EOS-2-26971,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccs6)cn5)n34)n2)cn1,CCEGWPYPQBDETA-UHFFFAOYSA-N,2,1,0.415,80,549,468.506,3.079,6,0.363,0.65,1.0,0.21347063258172846,0.1910252895620588,0.12476869302994997,0.09512713316427936,0.15609793708450415
EOS-2-26972,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cscn6)n5)n34)cc2)n[nH]1,CKNUGIUBHBYMOF-UHFFFAOYSA-N,2,1,0.438,56,425,468.506,3.377,6,0.39,0.61,1.0,0.4241227468987732,0.3844321842231513,0.12477725995476664,0.09714036049619629,0.25761813789322185
EOS-2-26973,Cn1nc(-c2ncccn2)cc1COc1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,MBNBEQPWBJGBSE-UHFFFAOYSA-N,2,1,0.436,71,117,468.506,3.079,6,0.363,0.59,1.0,0.24361764101158248,0.25052258241381675,0.10261462545404701,0.0912805839215955,0.17200885820026043
EOS-2-26974,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nncs5)cn4)n23)cc1,WKXVBMCXMVREOJ-UHFFFAOYSA-N,2,1,0.517,67,117,468.506,3.079,6,0.363,0.68,1.0,0.39318758138578574,0.2711089027482695,0.14544924953738605,0.12606229867726682,0.23395200808717703
EOS-2-26975,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6nccs6)n5)n34)nc2)n[nH]1,KLIYGCMPFCNPLR-UHFFFAOYSA-N,2,1,0.43,6,843,468.506,3.377,6,0.39,0.6,0.367,0.3427455280652457,0.37528270851895,0.07867863751627716,0.058040915632924406,0.21368694743334932
EOS-2-26976,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cnn1,OMLHENADCSTOCI-UHFFFAOYSA-N,2,1,0.43,6,297,468.506,3.079,6,0.363,0.67,0.999,0.40368206428620385,0.2920550339250223,0.16740627784250564,0.13249605921458432,0.248909858817079
EOS-2-26977,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncs6)n5)n34)nc2)n1,MHTPNXGNIJZIEI-UHFFFAOYSA-N,2,1,0.409,80,350,468.506,3.079,6,0.363,0.6,0.999,0.23277191419368104,0.23016756904941402,0.13647967925433485,0.1054674114179974,0.17622164347885683
EOS-2-26978,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5csnn5)cn4)n23)cc1,AWENRZSLDWRUAZ-UHFFFAOYSA-N,2,1,0.451,56,8,468.506,3.079,6,0.363,0.57,1.0,0.35422520731958057,0.2301761359742307,0.14254506202453568,0.12169316702076623,0.2121598930847783
EOS-2-26979,Cc1csc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)n1,SPSNFWQNIWVDLK-UHFFFAOYSA-N,2,1,0.432,56,425,468.506,3.377,6,0.39,0.61,1.0,0.4931635939962991,0.4311476252484408,0.07868720444109382,0.059531560551024605,0.26563249605921463
EOS-2-26980,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4scnc4-c4ncccn4)n23)cc1,KNVLBCRDTVOIGN-UHFFFAOYSA-N,2,1,0.466,56,8,468.506,3.079,6,0.363,0.66,1.0,0.43310945103145776,0.3070385854293743,0.05429716948804057,0.05109313960660681,0.21138458638886984
EOS-2-26981,Cn1cnnc1-c1cnc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ccn2)cn1,FGJYIXFXBTXLSU-UHFFFAOYSA-N,2,1,0.466,80,99,468.506,3.079,6,0.363,0.72,1.0,0.4331180179562744,0.2555942019052841,0.11640737440888219,0.10763484339661435,0.22818860941676375
EOS-2-26982,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnccn5)n4)n23)s1,ZWSUHNJSTUTCJT-UHFFFAOYSA-N,2,1,0.398,80,34,468.506,3.079,6,0.363,0.66,0.998,0.20528065245699403,0.09893941470769653,0.05983996984442465,0.04578164622027277,0.10246042080734699
EOS-2-26983,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)s4)n23)cc1,JKHFJHOPWBPLLR-UHFFFAOYSA-N,2,1,0.5,56,415,468.506,3.079,6,0.363,0.62,1.0,0.48076725378658075,0.32223631005414294,0.061964567198958265,0.05651600301555754,0.2303710335138099
EOS-2-26984,CCN=c1cccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)[nH]1,DHXVXOQUOILVSR-UHFFFAOYSA-N,2,1,0.396,46,395,431.485,2.532,5,0.439,0.45,0.084,0.25203036118155026,0.04967103008703996,0.08584915358782812,0.05110170653142348,0.10966306284696045
EOS-2-26985,CCc1nc(C)ncc1-c1cnc(-c2nnc3cncc(OCc4ccns4)n23)cn1,BEEYUKLYKPSLKL-UHFFFAOYSA-N,2,1,0.44,7,828,431.485,2.945,5,0.4,0.59,1.0,0.25983482968953464,0.1696508121444726,0.029059008978137207,0.01884723459666918,0.11934797135220342
EOS-2-26986,Cc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5nnc(C)s5)c4)n23)n1,ZYMAQVWNQYHPDH-UHFFFAOYSA-N,2,1,0.494,20,241,431.485,2.733,5,0.4,0.63,1.0,0.41258309917072167,0.31732746213419233,0.02158008361318621,0.01590877938455212,0.19184985607566307
EOS-2-26987,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)nc4)n23)ccc1-c1ccsc1,LBZOKQWEIARNFI-UHFFFAOYSA-N,2,1,0.506,41,78,468.517,5.424,6,0.326,0.63,1.0,0.6907083133438421,0.5482403536426564,0.8167620450962922,0.7916095538345556,0.7118300664793367
EOS-2-26988,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)cn2)cc1,AIZQIIJMTZRRKJ-UHFFFAOYSA-N,2,1,0.43,77,177,468.517,5.424,6,0.326,0.81,1.0,0.2839849907477212,0.23018470289904736,0.7031817558769105,0.7318638201631142,0.4873038174216983
EOS-2-26989,COc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(C)(C)O)cc5)n34)n2)cn1,PUBGOPCDRNCYLB-UHFFFAOYSA-N,2,1,0.468,1,347,468.517,4.063,5,0.381,0.77,1.0,0.5390480433143718,0.3122901103419916,0.7899818381193887,0.5062538551161675,0.5368934617229799
EOS-2-26990,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cc(C)cc(=O)n1C,UNQKIYHJOIIIII-UHFFFAOYSA-N,2,1,0.511,15,458,468.517,3.491,5,0.361,0.67,1.0,0.4059351655129875,0.1352717428551847,0.48026180522239736,0.3289099444863272,0.3375946645192242
EOS-2-26991,COc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nccs1,ANEZNCABEZXRDN-UHFFFAOYSA-N,2,1,0.471,49,501,431.481,3.335,5,0.387,0.62,1.0,0.43798403125214175,0.2505311493386334,0.11920019189911589,0.07886710986224385,0.22164562058803375
EOS-2-26992,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)ccc1=O,VGLHZIJYCCHXAF-UHFFFAOYSA-N,2,1,0.471,65,981,431.481,2.63,5,0.407,0.65,0.968,0.4218953464464396,0.20982968953464465,0.13967514221095195,0.1239891028716332,0.22384732026591733
EOS-2-26993,COc1nc(-c2nnc3cncc(OCCc4cccs4)n23)ccc1-c1ncccn1,LVGRNLVHNBODMN-UHFFFAOYSA-N,2,1,0.54,49,896,431.481,3.335,5,0.387,0.64,1.0,0.6333184839969844,0.379977383318484,0.09062093071071209,0.059540127475841274,0.2908642313755055
EOS-2-26994,COc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)n1,VJCSPTIFZSUTKY-UHFFFAOYSA-N,2,1,0.488,65,131,431.481,3.335,5,0.387,0.65,1.0,0.5909721746281955,0.35111541361113013,0.207550887533411,0.1345521211705846,0.32104764923583035
EOS-2-26995,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cn2)cn1,MLVONTMYWVAWKM-UHFFFAOYSA-N,2,1,0.449,4,464,431.481,3.601,5,0.402,0.84,1.0,0.3887327804811185,0.35606709615516413,0.18347782879857447,0.09714892742101296,0.2563566582139675
EOS-2-26996,COc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)c1,OZJDLJZYKDOPRP-UHFFFAOYSA-N,2,1,0.472,65,76,431.481,3.335,5,0.387,0.6,1.0,0.48077582071139746,0.3122986772668083,0.33777671167157836,0.23540196011239806,0.34156329244054556
EOS-2-26997,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ccc(C)nn1,QECCPNLSOXLXCL-UHFFFAOYSA-N,2,1,0.523,72,591,431.481,3.601,5,0.402,0.66,1.0,0.36803509012404906,0.27628332533753686,0.2792217805496539,0.17267493660475636,0.2740537831539991
EOS-2-26998,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)ccn2)cn1,FVMVFHVOTRZIOL-UHFFFAOYSA-N,2,1,0.602,75,819,431.481,2.819,5,0.419,0.68,1.0,0.5031697621821671,0.4532674251250771,0.2039356452607772,0.16714927009800562,0.3318805256665067
EOS-2-26999,COc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)n1,YSIFSWGZUJMYBI-UHFFFAOYSA-N,2,1,0.5,65,981,431.481,3.335,5,0.387,0.61,1.0,0.6220786786375163,0.4664690562675622,0.22142930573641287,0.1465029812898362,0.3641200054828319
EOS-2-27000,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cc1=O,UQYAEICRVOELKI-UHFFFAOYSA-N,2,1,0.416,18,840,431.481,2.63,5,0.407,0.7,1.0,0.26514632307586866,0.03572407648550476,0.19686793228702626,0.16995922143787265,0.16692438832156808
EOS-2-27001,COc1cc(-c2nnc3cncc(OCc4cncs4)n23)ccc1-c1ccc(C)nn1,QQNLMEKNAXEVBP-UHFFFAOYSA-N,2,1,0.523,72,591,431.481,3.601,5,0.402,0.77,1.0,0.3498218079638133,0.27111746967308614,0.30111027345624014,0.18366630114454116,0.27642896305942016
EOS-2-27002,COc1ncccc1COc1cncc2nnc(-c3cccc(-c4nnc(C)s4)c3)n12,RTYXCTDVGIIMDZ-UHFFFAOYSA-N,2,1,0.462,72,506,431.481,3.601,5,0.402,0.74,1.0,0.37506853539853335,0.25560276883010075,0.15459015831677062,0.08749400315262833,0.21818886642450824
EOS-2-27003,Cc1nc(COc2cncc3nnc(-c4cc(-c5ccc(CO)cc5)ncn4)n23)cs1,LQBFVNQBWQYIDV-UHFFFAOYSA-N,2,1,0.426,44,238,431.481,3.085,5,0.437,0.72,0.999,0.3995613734493866,0.28669213898978824,0.27576930984853676,0.21229696388184496,0.29357994654238917
EOS-2-27004,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cn4)n23)c1,OPQHTYGQMORDEM-UHFFFAOYSA-N,2,1,0.455,18,529,431.481,3.335,5,0.387,0.63,1.0,0.45208518950037696,0.2867007059146049,0.33048625865259407,0.2354105270372147,0.3261706702761976
EOS-2-27005,COc1cncc(COc2cncc3nnc(-c4ccc(-c5csc(C)n5)nc4)n23)c1,DWDGVYHNQMHYHK-UHFFFAOYSA-N,2,1,0.518,55,786,431.481,3.601,5,0.402,0.81,1.0,0.44468336645877593,0.39891028716331983,0.2902645466383387,0.16715783702282228,0.32525400932081416
EOS-2-27006,Cc1csc(COc2cncc3nnc(-c4cccc(-c5cnc(CO)cn5)c4)n23)n1,WNBCVRUXPZPBCH-UHFFFAOYSA-N,2,1,0.511,4,506,431.481,3.085,5,0.437,0.7,1.0,0.3865824823521349,0.3752912754437667,0.18025666506750737,0.13456068809540128,0.26917277773970255
EOS-2-27007,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(CO)c5)n34)cn2)cs1,RPOZZPBDCORJRX-UHFFFAOYSA-N,2,1,0.494,24,786,431.481,3.085,5,0.437,0.71,1.0,0.44469193338359264,0.43587656774724143,0.28310259749160444,0.1892176684257419,0.3382221917620451
EOS-2-27008,Cc1csc(-c2cnc(-c3cncc4nnc(-c5cnn(C)c5-c5ccc(F)cc5)n34)cn2)c1,HJTWRTPZNPCXFJ-UHFFFAOYSA-N,2,1,0.364,86,443,468.521,4.825,6,0.369,0.6,1.0,0.10130388595709684,0.28670927283942155,0.44152217120142556,0.48101569460626414,0.32763775615105206
EOS-2-27009,CCc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5F)n34)c2)cs1,UEZQWQBUZIZRCK-UHFFFAOYSA-N,2,1,0.3,9,7,468.521,5.068,6,0.379,0.62,1.0,0.24362620793639916,0.3463693372626962,0.4485813172503598,0.4720461243232129,0.37765574669316704
EOS-2-27010,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)s1,MMBPOPIGQZFZSC-UHFFFAOYSA-N,2,1,0.337,32,714,468.521,4.825,6,0.369,0.7,1.0,0.0822082105407443,0.28125214173120416,0.4083510383112878,0.4435868000822425,0.3038495476663697
EOS-2-27011,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)c(F)c5)n34)s2)n1C,DZQQOBYVYNKNJW-UHFFFAOYSA-N,2,1,0.337,38,193,468.521,4.825,6,0.369,0.62,0.999,0.1770012336371736,0.312307244191625,0.34140052086902883,0.4152131450894387,0.3114805359468165
EOS-2-27012,CCC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)cc4OC)n23)cn1,RXGNEDMWUHAEHD-UHFFFAOYSA-N,2,1,0.314,82,336,468.521,3.64,5,0.398,0.58,0.994,0.28111507093413746,0.15423891439928722,0.43419745048317454,0.21230553080666165,0.27046424165581523
EOS-2-27013,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5F)n34)s2)nn1C,SKGCTCUUIZSWFX-UHFFFAOYSA-N,2,1,0.325,76,653,468.521,4.825,6,0.369,0.68,1.0,0.1688369542868892,0.3267767802069769,0.46629771777122886,0.45958981563977797,0.35537531697621827
EOS-2-27014,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)nc5)n34)s2)n(C)n1,CEISLTWMUXTBHE-UHFFFAOYSA-N,2,1,0.346,76,750,468.521,4.825,6,0.369,0.68,0.999,0.09864813926392982,0.30704715235419094,0.2867778082379549,0.36148995956411484,0.26349076485504763
EOS-2-27015,Cc1nc(-c2ccc(F)cn2)c(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)n1C,CMRGXZPIZDXJCE-UHFFFAOYSA-N,2,1,0.276,42,174,468.521,4.825,6,0.369,0.6,0.996,0.15801692824343774,0.23019326982386404,0.29762353505585637,0.37428894524021655,0.26503066959084365
EOS-2-27016,CCn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)c(F)c1,PWPRVYUPXRMFHR-UHFFFAOYSA-N,2,1,0.325,9,340,468.521,4.999,6,0.354,0.72,1.0,0.15263689945857034,0.25053971626345006,0.5421492700980056,0.5528664930436571,0.37454809471592077
EOS-2-27017,CCCc1cncc2nnc(-c3cc(-c4ccc(-c5nnc(C)n5C)c(F)c4)n(C)n3)n12,YJGAPIJUGWHRDA-UHFFFAOYSA-N,2,1,0.337,78,784,431.479,3.387,5,0.424,0.71,0.86,0.1886265506133918,0.2711260365979028,0.05050202179425673,0.06111644164210815,0.1428427626619149
EOS-2-27018,COc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccsc5)n34)cc2)cn1,BTOSMYULBBZBFT-UHFFFAOYSA-N,2,1,0.518,97,881,431.477,4.628,5,0.371,0.81,1.0,0.715081214447262,0.4930522239736824,0.6398893153313686,0.4562487149612775,0.5760678671783976
EOS-2-27019,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cn2)no1,QMTNXLJFDYSXAY-UHFFFAOYSA-N,2,1,0.3,76,812,431.466,3.483,6,0.413,0.67,0.913,0.09865670618874649,0.14629737509423618,0.0834846823384278,0.11481392639298198,0.11081317250359812
EOS-2-27020,Cn1c(-c2ccccn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,CTEROOZCEVMPOH-UHFFFAOYSA-N,2,1,0.333,38,474,431.463,3.711,6,0.419,0.76,1.0,0.07779624426016037,0.06110787471729148,0.13968370913576864,0.2123140977314783,0.12272548146117469
EOS-2-27021,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)n1,ONPPNPMGLUBADF-UHFFFAOYSA-N,2,1,0.316,38,193,431.463,3.711,6,0.419,0.75,1.0,0.10384826262764718,0.042406277842505655,0.31202453567267496,0.35457645123706394,0.20321388184497294
EOS-2-27022,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cn1,YWEGIMGNVDLXEX-UHFFFAOYSA-N,2,1,0.307,9,834,431.463,4.009,6,0.449,0.71,1.0,0.1606898087862381,0.12137619080254952,0.5042149270098005,0.45625728188609416,0.3106345521211706
EOS-2-27023,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)c2)nn1,HQRIOTPWBNUIQR-UHFFFAOYSA-N,2,1,0.309,32,179,431.463,3.711,6,0.419,0.76,1.0,0.01845315605510246,0.011685285449934892,0.3452299362620794,0.36788088547734904,0.18581231581111646
EOS-2-27024,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1,MGSLUMVMPATOJU-UHFFFAOYSA-N,2,1,0.319,32,191,431.463,3.711,6,0.419,0.7,1.0,0.1412857240764855,0.06111644164210815,0.2938283873620725,0.2828884243711877,0.19477974436296347
EOS-2-27025,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)cc5)n34)cc2)n1,LJXGXRYZADABFM-UHFFFAOYSA-N,2,1,0.316,9,98,431.463,3.711,6,0.419,0.76,1.0,0.10131245288191351,0.06886950860119252,0.3867623877732849,0.42809780001370706,0.2462605373175245
EOS-2-27026,Cn1nnc(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,PCTGCWSZEWXYCA-UHFFFAOYSA-N,2,1,0.316,30,945,431.463,3.711,6,0.419,0.71,1.0,0.041455349187855525,0.04615002398738949,0.16741484476732232,0.24424302652319924,0.12481581111644165
EOS-2-27027,Cc1ncc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(-c2ccccn2)n1,GGAZPASQXITFFV-UHFFFAOYSA-N,2,1,0.272,10,195,431.463,3.804,6,0.418,0.65,0.969,0.003623809197450483,0.010828592968268111,0.22143787266122952,0.2562024535672675,0.12302318209855391
EOS-2-27028,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cn1,XBWGWYUMRNFFCT-UHFFFAOYSA-N,2,1,0.311,30,945,431.463,3.711,6,0.419,0.71,0.999,0.048814337605373175,0.04615859091220616,0.3344099102186279,0.3709307107120828,0.2000783873620725
EOS-2-27029,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccccc5)ncn4)n23)cc1,LDQGUDBYCDVVPW-UHFFFAOYSA-N,2,1,0.352,9,642,431.463,3.711,6,0.419,0.71,1.0,0.1467942567336029,0.042414844767322324,0.3344184771434446,0.36149852648893155,0.22128152628332534
EOS-2-27030,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cn1,CQQHVDXJIAIKAT-UHFFFAOYSA-N,2,1,0.297,30,179,431.463,3.711,6,0.419,0.8,1.0,0.06787574532245905,0.022505311493386335,0.27923034747447056,0.33566068124186144,0.17631802138304434
EOS-2-27031,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)ccn1,PMECXCBHVHDYGZ-UHFFFAOYSA-N,2,1,0.296,9,725,431.463,3.711,6,0.419,0.75,1.0,0.09165752861352888,0.03573264341032143,0.37174456856966626,0.40543828387362074,0.22614325611678432
EOS-2-27032,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nc2)n1,OJQAGTUUIWWKHZ-UHFFFAOYSA-N,2,1,0.303,30,515,431.463,3.711,6,0.419,0.72,0.997,0.08911315194297854,0.06521999862929202,0.31955486258652593,0.332319580563361,0.20155189843053936
EOS-2-27033,Cc1ccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)ccn2)nc1,QMHYJTIWRUXQAF-UHFFFAOYSA-N,2,1,0.281,38,7,431.463,4.009,6,0.449,0.69,1.0,0.1742598176958399,0.10212631073949695,0.437821259680625,0.4054468507984374,0.2799135597285998
EOS-2-27034,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,NBMFBVPFFAYALU-UHFFFAOYSA-N,2,1,0.353,30,945,431.463,3.711,6,0.419,0.8,1.0,0.09166609553834555,0.04616715783702282,0.2792389143992872,0.3135408813652251,0.1826532622849702
EOS-2-27035,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)nn1,YOHXNUNWDYMLLG-UHFFFAOYSA-N,2,1,0.33,9,764,431.463,3.711,6,0.419,0.81,1.0,0.053551847028990476,0.03864539784798848,0.5216914536358029,0.5093893495990679,0.28081951202796246
EOS-2-27036,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)n1,KGDWNUUNOVWWHR-UHFFFAOYSA-N,2,1,0.324,38,818,431.463,3.711,6,0.419,0.7,1.0,0.10132101980673018,0.08311630457131108,0.4485898841751765,0.4373243780412583,0.26758789664861904
EOS-2-27037,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)nn1,TVAORFPLUVQGEA-UHFFFAOYSA-N,2,1,0.293,38,818,431.463,3.711,6,0.419,0.74,1.0,0.038465492426838464,0.04242341169213899,0.43420601740799125,0.4404084709752587,0.23887584812555684
EOS-2-27038,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)n1,MSJCLTKGESZANP-UHFFFAOYSA-N,2,1,0.352,93,774,431.463,3.711,6,0.419,0.77,1.0,0.10132958673154685,0.09260845726817901,0.337785278596395,0.4183229387978891,0.23751156534850248
EOS-2-27039,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccn6)c5)n34)cc2)cn1,KPCCWLXXGLJWFM-UHFFFAOYSA-N,2,1,0.299,42,150,431.463,3.804,6,0.418,0.76,1.0,0.002929888287300391,0.0357412103351381,0.3867709546981016,0.3578918511411144,0.19583347611541363
EOS-2-27040,Cn1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cn1,TYOMRPPUIAPCJZ-UHFFFAOYSA-N,2,1,0.362,93,774,431.463,3.711,6,0.419,0.8,1.0,0.10632410389966418,0.07263038859570968,0.34523850318689603,0.40889075457473784,0.23327093756425193
EOS-2-27041,Cc1nc(-c2ccccn2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,RDAPSEQCSFFBCE-UHFFFAOYSA-N,2,1,0.299,38,7,431.463,4.009,6,0.449,0.74,1.0,0.11121581796998149,0.11800938934959906,0.3567181824412309,0.3323281474881776,0.22956788431224728
EOS-2-27042,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,JDEKGXQGDGFWHD-UHFFFAOYSA-N,2,1,0.342,25,791,431.463,3.711,6,0.419,0.83,1.0,0.09644643958604619,0.08312487149612775,0.2792474813241039,0.36466828867109863,0.2058717702693441
EOS-2-27043,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cc5)n34)cc2)nn1,ZLIDSJPKGPEPIF-UHFFFAOYSA-N,2,1,0.323,9,867,431.463,3.711,6,0.419,0.76,1.0,0.050296415598656705,0.03574977725995477,0.39787368926050304,0.3836011925159345,0.21688026865876225
EOS-2-27044,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)c1,LOIYVOHWPFYDPS-UHFFFAOYSA-N,2,1,0.312,42,106,431.463,3.711,6,0.419,0.68,1.0,0.11426564320471523,0.03865396477280515,0.3011188403810568,0.29160955383455556,0.1864120005482832
EOS-2-27045,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)nc2)cn1,ZNYZTKDVEGHFED-UHFFFAOYSA-N,2,1,0.292,70,714,431.463,3.711,6,0.419,0.78,1.0,0.03423343156740456,0.018521691453635802,0.4628024124460284,0.43439448975395795,0.23748800630525668
EOS-2-27046,Cn1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)n1,YLELKYLEJZNACI-UHFFFAOYSA-N,2,1,0.315,38,865,431.463,3.711,6,0.419,0.74,1.0,0.06413199917757521,0.07263895552052635,0.41548728668357204,0.39625454047015285,0.23712819546295663
EOS-2-27047,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)n1,KCCLPZXWBCTLJK-UHFFFAOYSA-N,2,1,0.307,38,57,431.463,3.711,6,0.419,0.77,1.0,0.13618840381056815,0.06887807552600918,0.4415307381262422,0.41522171201425534,0.26545473236926875
EOS-2-27048,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6)nc5)n34)cc2)n[nH]1,JYTAWUVOQGLSQA-UHFFFAOYSA-N,2,1,0.371,9,553,431.463,4.009,6,0.449,0.75,1.0,0.14418134466451923,0.12505996847371667,0.30831505722705776,0.30413439791652386,0.2204226920704544
EOS-2-27049,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6)nc5)n34)cc2)n1,SMIDFUKBNMVJAR-UHFFFAOYSA-N,2,1,0.382,9,553,431.463,3.711,6,0.419,0.79,1.0,0.14680282365841957,0.061125008566924814,0.3491021862792132,0.345058597765746,0.2255221540675759
EOS-2-27050,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,IQQJOCCMJWJONO-UHFFFAOYSA-N,2,1,0.304,42,725,431.463,3.711,6,0.419,0.7,1.0,0.1013381536563635,0.042431978616955655,0.3717531354944829,0.3962631073949695,0.2279465937906929
EOS-2-27051,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)n[nH]1,VALFSHAYTQMWQD-UHFFFAOYSA-N,2,1,0.289,9,98,431.463,4.009,6,0.449,0.81,1.0,0.11122438489479816,0.11196970735384826,0.47324549379754643,0.45325885820026046,0.2874246110616133
EOS-2-27052,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)nn1,SMLNYKZQWMHBTB-UHFFFAOYSA-N,2,1,0.299,42,57,431.463,3.711,6,0.419,0.67,1.0,0.044385237475155916,0.03866253169762182,0.42666712356932357,0.4310962236995408,0.23520277911041054
EOS-2-27053,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cn1,JBLMSRUBFSZTLN-UHFFFAOYSA-N,2,1,0.297,9,556,431.463,4.009,6,0.449,0.66,1.0,0.1277671167157837,0.11501096566376534,0.46281097937084503,0.42473099856075663,0.2825800150777877
EOS-2-27054,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)n[nH]1,FVSARMUEKUYRFX-UHFFFAOYSA-N,2,1,0.29,38,983,431.463,4.009,6,0.449,0.63,1.0,0.19981495442395997,0.13528030978000138,0.3831128778013844,0.3545850181618806,0.2681982900418066
EOS-2-27055,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)cc2)n[nH]1,QIQUFUKSHJQRAF-UHFFFAOYSA-N,2,1,0.329,9,220,431.463,4.009,6,0.449,0.67,0.998,0.1142742101295319,0.12506853539853335,0.31580254951682546,0.3646768555959153,0.2299555376602015
EOS-2-27056,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1-c1cncnc1,ICPVEHKJNWZILC-UHFFFAOYSA-N,2,1,0.308,42,725,431.463,3.711,6,0.419,0.69,1.0,0.039964704269755326,0.04617572476183949,0.40835960523610443,0.4183315057227058,0.22820788499760125
EOS-2-27057,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cn1,VGPIUGLRZYLNNM-UHFFFAOYSA-N,2,1,0.303,38,725,431.463,3.711,6,0.419,0.69,1.0,0.14129429100130217,0.05732986087314098,0.37176170241929957,0.3615070934137482,0.23297323692687275
EOS-2-27058,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,BGYWNWXFVGDRTI-UHFFFAOYSA-N,2,1,0.284,30,301,431.463,3.711,6,0.419,0.8,1.0,0.08912171886779521,0.03867109862243849,0.2831111644164211,0.3356692481666781,0.18664330751833322
EOS-2-27059,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)cc1,PJFDMEFESPUQHQ-UHFFFAOYSA-N,2,1,0.306,9,57,431.463,3.711,6,0.419,0.72,1.0,0.11123295181961483,0.06888664245082585,0.3978822561853197,0.39627167431978616,0.24356838119388663
EOS-2-27060,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)n1,QWYAGPUERMINJV-UHFFFAOYSA-N,2,1,0.357,9,791,431.463,3.711,6,0.419,0.76,1.0,0.08913028579261188,0.07964670002056062,0.3120331025974916,0.3545935850866973,0.20885091837434036
EOS-2-27061,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cn1,HFXIFASPNRNSHM-UHFFFAOYSA-N,2,1,0.305,70,191,431.463,3.711,6,0.419,0.73,1.0,0.15264546638338702,0.05733842779795764,0.29383695428688916,0.279838599136454,0.19591486190117197
EOS-2-27062,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1,RPINQXQYKSWERD-UHFFFAOYSA-N,2,1,0.307,38,608,431.463,3.711,6,0.419,0.72,1.0,0.1112415187444315,0.042440545541772325,0.3794462339798506,0.3450671646905627,0.21954886573915428
EOS-2-27063,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccn5)nn4)n23)cc1,LPXBJJZKIOFTFI-UHFFFAOYSA-N,2,1,0.343,38,787,431.463,3.804,6,0.418,0.64,1.0,0.00242443972311699,0.03575834418477143,0.28678637516277156,0.30414296484134057,0.15727803097800014
EOS-2-27064,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)n1,UKQPIZLBRVHCGU-UHFFFAOYSA-N,2,1,0.295,38,532,431.463,4.009,6,0.449,0.65,1.0,0.13341272016996777,0.1389983551504352,0.40130045918717017,0.37429751216503326,0.2620022616681516
EOS-2-27065,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)n1,SZMOWGOIPAERRQ-UHFFFAOYSA-N,2,1,0.385,93,74,431.463,3.711,6,0.419,0.79,0.9,0.13076554040161745,0.10544171064354739,0.3158111164416421,0.38066273730381744,0.23317027619765607
EOS-2-27066,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)n1,FSRXYAWANYVVFQ-UHFFFAOYSA-N,2,1,0.324,38,270,431.463,3.711,6,0.419,0.72,1.0,0.048822904530189844,0.05350901240490714,0.32685388253032693,0.34182886710986227,0.19275366664382154
EOS-2-27067,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)n1,PHVNJZIYUKZEJV-UHFFFAOYSA-N,2,1,0.362,93,651,431.463,3.711,6,0.419,0.81,1.0,0.12490576382701665,0.0989479816325132,0.2938455212117059,0.3678894524021657,0.22139717976835033
EOS-2-27068,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6cccn6)cc5)n34)nc2)n1,AAUPIYYDKIHGAQ-UHFFFAOYSA-N,2,1,0.267,70,596,431.463,3.804,6,0.418,0.75,1.0,0.012636214104585018,0.0030241244602837365,0.37945480090466727,0.35790041806593104,0.18825388938386678
EOS-2-27069,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cn2)cn1,KTRUHLPMJIFNAH-UHFFFAOYSA-N,2,1,0.301,42,167,431.463,3.711,6,0.419,0.75,1.0,0.062435748063874995,0.07264752244534302,0.46990439311904597,0.4562658488109108,0.2653133781097937
EOS-2-27070,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)cc1,CUZMCEYFUJVHMQ-UHFFFAOYSA-N,2,1,0.289,38,727,431.463,3.711,6,0.419,0.65,1.0,0.18010246042080735,0.06522856555410869,0.37567678706051677,0.36151566033856486,0.24563086834349943
EOS-2-27071,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)c(-c2ccccc2)n1,ONDRBCDTXDYFLH-UHFFFAOYSA-N,2,1,0.305,30,945,431.463,4.009,6,0.449,0.66,1.0,0.1307741073264341,0.13528887670481804,0.2867949420875882,0.30726132547460766,0.21502981289836204
EOS-2-27072,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nc2)cn1,JGRMMIUKBOXBEG-UHFFFAOYSA-N,2,1,0.303,94,515,431.463,3.711,6,0.419,0.78,1.0,0.0757401823041601,0.049679597011856626,0.3794633678294839,0.3904375985196354,0.223830186416284
EOS-2-27073,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)n1,DWYPRWFHGONXKP-UHFFFAOYSA-N,2,1,0.357,93,774,431.463,3.711,6,0.419,0.78,1.0,0.10134672058118017,0.10545027756836406,0.2868035090124049,0.36468542252073194,0.21457148242067026
EOS-2-27074,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)nn1,FFUHQHWWHGXFFG-UHFFFAOYSA-N,2,1,0.379,93,594,431.463,3.711,6,0.419,0.79,1.0,0.06414056610239188,0.08313343842094442,0.33442704406826124,0.39944143650195324,0.2202856212733877
EOS-2-27075,Cn1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c2)n1,UZXXRCJJWSLDMY-UHFFFAOYSA-N,2,1,0.301,42,171,431.463,3.711,6,0.419,0.71,1.0,0.05356041395380714,0.06889520937564252,0.5522582413816737,0.5093979165238846,0.296027945308752
EOS-2-27076,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,HZLLXDNZNKDZQJ-UHFFFAOYSA-N,2,1,0.324,38,608,431.463,3.711,6,0.419,0.69,1.0,0.13860427660886848,0.06890377630045919,0.3268624494551436,0.297760605852923,0.20803277705434858
EOS-2-27077,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)n1,NOYYLXXMBVLFNG-UHFFFAOYSA-N,2,1,0.357,93,74,431.463,3.711,6,0.419,0.75,1.0,0.1169642245219656,0.09895654855732985,0.21766842574189568,0.3072698923994243,0.18521477280515386
EOS-2-27078,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cn1,IPBATFHRJVKAAG-UHFFFAOYSA-N,2,1,0.315,38,167,431.463,3.711,6,0.419,0.74,1.0,0.06580254951682545,0.06523713247892536,0.4116150366664382,0.3962802412446028,0.23473373997669797
EOS-2-27079,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)nn1,HDEGPMUUIDWZPC-UHFFFAOYSA-N,2,1,0.28,30,301,431.463,3.711,6,0.419,0.76,0.996,0.024629908847919952,0.011693852374751559,0.33443561099307795,0.37093927763689943,0.18542466246316222
EOS-2-27080,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2)nn1,SLSCOXANGZHDBV-UHFFFAOYSA-N,2,1,0.284,30,301,431.463,3.711,6,0.419,0.71,1.0,0.024638475772736618,0.009860530463984649,0.38677952162291823,0.4247395654855733,0.2115045233363032
EOS-2-27081,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)cn1,MMOYVVDYIXMDSG-UHFFFAOYSA-N,2,1,0.306,42,106,431.463,3.711,6,0.419,0.83,1.0,0.05356898087862381,0.04618429168665616,0.4450774450003427,0.4344030566787746,0.24480844356109932
EOS-2-27082,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)nn1,QVXGSBXQDXZCLW-UHFFFAOYSA-N,2,1,0.311,38,126,431.463,3.711,6,0.419,0.7,1.0,0.03041258309917072,0.03867966554725516,0.297632101980673,0.32269892399424305,0.1723558186553355
EOS-2-27083,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc1,SETZTOROVIPONN-UHFFFAOYSA-N,2,1,0.329,42,983,431.463,3.711,6,0.419,0.66,1.0,0.1580254951682544,0.08648310602426153,0.3867880885477349,0.3615242272633815,0.24820522925090807
EOS-2-27084,Cn1cncc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cnn1,OJTOAYCIKQFVSV-UHFFFAOYSA-N,2,1,0.291,30,945,431.463,3.711,6,0.419,0.69,0.977,0.08913885271742855,0.03868823247207182,0.3978908231101364,0.41523027893907205,0.23523704680967722
EOS-2-27085,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,HSXSNUFGNSUTMO-UHFFFAOYSA-N,2,1,0.338,9,642,431.463,3.711,6,0.419,0.75,1.0,0.10633267082448085,0.03269138510040436,0.34140908779384554,0.34507573161537936,0.20637721883352753
EOS-2-27086,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)cc2)n1,RVIMIKDPLUQQAQ-UHFFFAOYSA-N,2,1,0.308,38,620,431.463,3.804,6,0.418,0.68,1.0,0.002433006647933658,0.011702419299568226,0.3867966554725516,0.37765574669316704,0.19464695702830515
EOS-2-27087,Cn1ccnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,DYDUVLLGVNUTGH-UHFFFAOYSA-N,2,1,0.315,42,762,431.463,3.711,6,0.419,0.68,1.0,0.12777568364060038,0.06524569940374203,0.43782982660544173,0.40889932149955455,0.25993763278733467
EOS-2-27088,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)c1,TUVBAFONNCYBBD-UHFFFAOYSA-N,2,1,0.324,9,642,431.463,3.711,6,0.419,0.72,1.0,0.07185936536220958,0.020277911041052702,0.44508601192515934,0.462631073949695,0.24996359056952916
EOS-2-27089,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)cn1,ZFRWWJHTZNOQKU-UHFFFAOYSA-N,2,1,0.311,42,106,431.463,3.711,6,0.419,0.81,1.0,0.06581111644164211,0.03869679939688849,0.38680522239736825,0.3743060790898499,0.2164048043314372
EOS-2-27090,Cc1ncc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(-c2cccnc2)n1,UDBUUYFPJQGFLU-UHFFFAOYSA-N,2,1,0.28,42,195,431.463,3.804,6,0.418,0.68,0.98,0.006553697484750874,0.010837159893084779,0.28311973134123775,0.30727845932424097,0.1519472620108286
EOS-2-27091,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cn1,DTTLNRXAWMTHFX-UHFFFAOYSA-N,2,1,0.295,42,195,431.463,3.804,6,0.418,0.7,0.973,0.008267082448084436,0.02693441162360359,0.3831214447262011,0.35790898499074775,0.1940579809471592
EOS-2-27092,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)n1,MYDKRMGUOFCBPH-UHFFFAOYSA-N,2,1,0.284,30,301,431.463,3.711,6,0.419,0.77,0.915,0.07375265574669317,0.02694297854842026,0.3344441779178946,0.3579175519155644,0.1982643410321431
EOS-2-27093,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)nc4)n23)cc1,CWSHLAQCDKOFAZ-UHFFFAOYSA-N,2,1,0.394,9,553,431.463,3.711,6,0.419,0.78,1.0,0.14681139058323625,0.06113357549174148,0.3120416695223083,0.32891851141114387,0.21222628675210747
EOS-2-27094,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)cn1,DFUZCWACYQAROR-UHFFFAOYSA-N,2,1,0.293,38,714,431.463,3.711,6,0.419,0.7,1.0,0.07574874922897677,0.04619285861147283,0.4937718456582825,0.4562744157357275,0.2679969673086149
EOS-2-27095,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccnc(-c6ccncc6)c5)n34)nc2)cn1,DTDLULHCKTWTHD-UHFFFAOYSA-N,2,1,0.333,42,723,431.463,3.711,6,0.419,0.71,1.0,0.060653827702008084,0.029667260640120624,0.4972071825097663,0.45002056061956003,0.25938720786786373
EOS-2-27096,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cn1,XVDWLODUKYEEOF-UHFFFAOYSA-N,2,1,0.308,42,608,431.463,3.711,6,0.419,0.77,1.0,0.044393804399972585,0.06114214241655815,0.4378383935302584,0.38360975944075115,0.23174602494688507
EOS-2-27097,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)n1,JJDIKKSOGDRUTR-UHFFFAOYSA-N,2,1,0.32,25,791,431.463,3.711,6,0.419,0.76,1.0,0.08221677746556096,0.06891234322527585,0.31581968336645877,0.3615327941881982,0.20712039956137346
EOS-2-27098,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,RVWIBGCOUGCGOU-UHFFFAOYSA-N,2,1,0.379,93,594,431.463,3.711,6,0.419,0.74,1.0,0.180111027345624,0.10213487766431362,0.2757778767733534,0.35792611884038106,0.22898747515591802
EOS-2-27099,Cn1cc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)c2)nn1,XYTPYZHIOADYQW-UHFFFAOYSA-N,2,1,0.297,32,371,431.463,3.711,6,0.419,0.64,1.0,0.03042115002398739,0.02028647796586937,0.2831282982660544,0.31666780892330887,0.162625933794805
EOS-2-27100,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)n[nH]1,SMFKNLDUXHGPIA-UHFFFAOYSA-N,2,1,0.289,38,57,431.463,4.009,6,0.449,0.71,1.0,0.1194657665684326,0.12849530532520045,0.3941299431156192,0.3743146460146666,0.25410141525597973
EOS-2-27101,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccncc6)c5)n34)cc2)n1,RAKOSSDLRDKQQO-UHFFFAOYSA-N,2,1,0.301,42,150,431.463,3.804,6,0.418,0.72,1.0,0.008275649372901104,0.022513878418203,0.4523593310945103,0.4121204852306216,0.223817336029059
EOS-2-27102,Cn1cncc1-c1nncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,FIJMILWBRRJHMC-UHFFFAOYSA-N,2,1,0.357,93,594,431.463,3.711,6,0.419,0.72,0.999,0.13619697073538484,0.06892091015009252,0.31205023644712493,0.39044616544445204,0.2269035706942636
EOS-2-27103,COc1cc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)ccc1-c1ncnn1C,PHZLQCYKGVOURE-UHFFFAOYSA-N,2,1,0.529,15,460,431.46,1.95,5,0.385,0.69,1.0,0.2783907888424371,0.09597525872112947,0.11057329860873141,0.04985950243300665,0.13369971215132617
EOS-2-27104,CCn1cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(OC)c4)n23)nn1,XPQXDYMFPDVQFC-UHFFFAOYSA-N,2,1,0.49,92,375,431.46,2.391,5,0.386,0.68,1.0,0.09866527311356316,0.10886848057021452,0.06381502295935851,0.02800527722568707,0.07483851346720581
EOS-2-27105,c1cncc(COc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)c1,XPLZQJNGKILQTQ-UHFFFAOYSA-N,2,1,0.5,77,323,431.459,4.376,6,0.4,0.6,1.0,0.6665067507367556,0.5023130697005003,0.6160561304913988,0.6124837228428484,0.5993399184428758
EOS-2-27106,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)c(-c2ccccc2)n1,AZSNIVREQMUOGS-UHFFFAOYSA-N,2,1,0.315,32,321,431.459,4.879,6,0.393,0.7,0.999,0.16069837571105475,0.08314200534576109,0.43784696045507504,0.46895346446439584,0.2876602014940717
EOS-2-27107,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)o1,RFUMJYQPXOEEPE-UHFFFAOYSA-N,2,1,0.309,69,57,431.459,4.879,6,0.393,0.75,1.0,0.1886351175382085,0.1618549105613049,0.6220444109382496,0.5626927558083751,0.38380679871153456
EOS-2-27108,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cc2)n1,BSXLDBFLJXXCJO-UHFFFAOYSA-N,2,1,0.343,69,958,431.459,4.879,6,0.393,0.77,1.0,0.1829895140840244,0.17845761085600712,0.5784301966965938,0.5660338564868754,0.37647779453087515
EOS-2-27109,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)o1,XDVNUMGNZIPAAZ-UHFFFAOYSA-N,2,1,0.296,30,737,431.459,4.879,6,0.393,0.73,1.0,0.12491433075183332,0.08959289973271195,0.5150178192036187,0.4991861421424166,0.30717779795764516
EOS-2-27110,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)cc2)o1,HREHGDWRVZCRHT-UHFFFAOYSA-N,2,1,0.329,41,818,431.459,4.879,6,0.393,0.77,1.0,0.15535261462545405,0.1426735658967857,0.6304057295593174,0.5786786375162771,0.37677763689945853
EOS-2-27111,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)nc1,UIVZZSLNUHOQTJ-UHFFFAOYSA-N,2,1,0.309,30,737,431.459,4.879,6,0.393,0.82,0.992,0.11947433349324926,0.09598382564594612,0.39789939003495306,0.4470392707833596,0.265099204989377
EOS-2-27112,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cc1,XRRXOJOBWCITRK-UHFFFAOYSA-N,2,1,0.547,21,285,431.459,5.036,6,0.411,0.77,1.0,0.6025546569803304,0.4311561921732575,0.6981101363854431,0.6964481529710095,0.6070672846275101
EOS-2-27113,Cc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,NZVXVOIZTNAMOP-UHFFFAOYSA-N,2,1,0.292,69,174,431.459,4.879,6,0.393,0.78,1.0,0.10135528750599684,0.042449112466588994,0.6220529778630662,0.5819255020217943,0.3369457199643616
EOS-2-27114,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)nn1,UOEVOEMZFQRXKQ-UHFFFAOYSA-N,2,1,0.362,93,651,431.459,4.879,6,0.393,0.69,1.0,0.18864368446302515,0.15017819203618668,0.4378555273798917,0.4842711260365979,0.3152371324789254
EOS-2-27115,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)c1,OGIMOJUBENISTC-UHFFFAOYSA-N,2,1,0.301,93,152,431.459,4.879,6,0.393,0.78,1.0,0.1553611815502707,0.13164793365773422,0.6334127201699677,0.612492289767665,0.38322853128640944
EOS-2-27116,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)o1,CWOVJAFCAUIYSQ-UHFFFAOYSA-N,2,1,0.31,69,645,431.459,4.879,6,0.393,0.74,1.0,0.1886522513878418,0.15018675896100336,0.6953858542937427,0.6416712356932356,0.41897402508395587
EOS-2-27117,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)no1,AYQSQCNELYNEKX-UHFFFAOYSA-N,2,1,0.357,93,987,431.459,4.879,6,0.393,0.8,1.0,0.18299808100884107,0.19565142896305943,0.445094578849976,0.4869954081282983,0.3276848742375437
EOS-2-27118,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6)nc5)n34)cc2)o1,SMOITUVNMBONLC-UHFFFAOYSA-N,2,1,0.382,69,553,431.459,4.879,6,0.393,0.8,1.0,0.23570180248098144,0.1542474813241039,0.5286906312110204,0.48700397505311493,0.3514109725173052
EOS-2-27119,c1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1,UUJVDDPPZXNSLG-UHFFFAOYSA-N,2,1,0.37,93,220,431.459,5.036,6,0.411,0.76,1.0,0.2730021931327531,0.20033753683777672,0.6334212870947844,0.6092111575628812,0.4289930436570488
EOS-2-27120,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)n1,IWLNCUIZOXSFKD-UHFFFAOYSA-N,2,1,0.368,93,651,431.459,4.879,6,0.393,0.82,1.0,0.23843465149749846,0.19565999588787608,0.45922143787266123,0.49306935782331573,0.34659636077033784
EOS-2-27121,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cc4)n23)c(-c2ccccn2)n1,HQHPVQWHFZEMCX-UHFFFAOYSA-N,2,1,0.289,69,898,431.459,4.879,6,0.393,0.78,1.0,0.12492289767664999,0.11197827427866493,0.4378640943047084,0.42180111027345624,0.2741415941333699
EOS-2-27122,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)on1,BLLBRYAPHHEHFC-UHFFFAOYSA-N,2,1,0.329,30,93,431.459,4.879,6,0.393,0.78,1.0,0.09391062984031252,0.08960146665752862,0.5186330614762524,0.5030498252347337,0.30129874580220684
EOS-2-27123,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)o1,MELRMBQXGUDOCG-UHFFFAOYSA-N,2,1,0.318,69,598,431.459,4.879,6,0.393,0.78,1.0,0.14994688506613665,0.14268213282160236,0.4937804125830992,0.4899852648893153,0.31909867384003837
EOS-2-27124,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)c5)n34)cc2)n1,PHYWPBUCBNHALU-UHFFFAOYSA-N,2,1,0.303,69,152,431.459,4.879,6,0.393,0.71,1.0,0.18576519772462477,0.13165650058255088,0.5943903776300459,0.5627013227331917,0.3686283496676033
EOS-2-27125,Cc1noc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)n1,WSXNYWDENFOISW-UHFFFAOYSA-N,2,1,0.373,93,987,431.459,4.879,6,0.393,0.81,1.0,0.2081677061202111,0.1696593790692893,0.5217000205606196,0.5463727640326228,0.3614749674456857
EOS-2-27126,Cc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,VZNGNZFSQOIWSL-UHFFFAOYSA-N,2,1,0.293,69,38,431.459,4.879,6,0.393,0.7,1.0,0.1634312247275718,0.12850387225001714,0.6708330477691727,0.6445497224316359,0.4018294667945994
EOS-2-27127,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)n1,JJBSFIQDZUWHCR-UHFFFAOYSA-N,2,1,0.319,69,894,431.459,4.879,6,0.393,0.72,1.0,0.1886608183126585,0.14630594201905284,0.6101021177438147,0.5692978548420259,0.37859168322938797
EOS-2-27128,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnco6)n5)n34)cc2)n1,YDJZPHGNWPEVEP-UHFFFAOYSA-N,2,1,0.315,32,532,431.459,4.879,6,0.393,0.73,1.0,0.16623260914262217,0.09896511548214652,0.5319203618669043,0.489993831814132,0.3217779795764512
EOS-2-27129,Cc1ncc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5ccon5)cc4)n23)n1,IALIGJMFYVVIKS-UHFFFAOYSA-N,2,1,0.276,69,220,431.459,4.879,6,0.393,0.84,1.0,0.09645500651086286,0.0535175793297238,0.452367898019327,0.4930779247481324,0.2738546021520115
EOS-2-27130,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)cn1,HFSMIWJQLYAUHN-UHFFFAOYSA-N,2,1,0.312,69,894,431.459,4.879,6,0.393,0.76,1.0,0.18300664793365773,0.15019532588582002,0.6765386196970735,0.6297375094236173,0.40986952573504215
EOS-2-27131,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)n1,UZSQPLXBTZEQGK-UHFFFAOYSA-N,2,1,0.314,69,645,431.459,4.879,6,0.393,0.69,1.0,0.21100335823452812,0.13166506750736756,0.6429562744157358,0.602820231649647,0.3971112329518196
EOS-2-27132,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cc2)o1,DQFMNJKLHVIZEC-UHFFFAOYSA-N,2,1,0.333,69,645,431.459,4.879,6,0.393,0.7,1.0,0.21613494619971216,0.1618634774861216,0.6398978822561853,0.584923925707628,0.40070505791241173
EOS-2-27133,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)cn1,FMIPOWORYMBELR-UHFFFAOYSA-N,2,1,0.318,69,645,431.459,4.879,6,0.393,0.7,1.0,0.202419299568227,0.13167363443218422,0.6488331848399699,0.5999931464601467,0.39572981632513193
EOS-2-27134,COc1ccncc1-c1ccc(-c2nnc3cncc(-c4cnc5ccccc5c4)n23)cn1,JJISMLQHAYBBHV-UHFFFAOYSA-N,2,1,0.308,32,945,431.459,4.472,6,0.407,0.78,1.0,0.2357103694057981,0.16187204441093825,0.6220615447878829,0.5849324926324446,0.40114411280926593
EOS-2-27135,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)o1,QKBPMJGZIUNCIQ-UHFFFAOYSA-N,2,1,0.333,69,898,431.459,4.879,6,0.393,0.81,1.0,0.13861284353368514,0.15793125899527105,0.5113854430813515,0.4962733877047495,0.32605073332876433
EOS-2-27136,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)nc1,UVBWRMCHVDPSOI-UHFFFAOYSA-N,2,1,0.298,69,152,431.459,4.879,6,0.393,0.72,1.0,0.12211294633678295,0.08315057227057775,0.607129394832431,0.5970032896991296,0.35234905078473033
EOS-2-27137,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1,XRGZHPAOUFHQNN-UHFFFAOYSA-N,2,1,0.316,69,894,431.459,4.879,6,0.393,0.74,1.0,0.18866938523747515,0.1502038928106367,0.5976458090603797,0.5627098896580084,0.374807244191625
EOS-2-27138,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)n1,DAKBGJMVHQHWMU-UHFFFAOYSA-N,2,1,0.362,69,220,431.459,4.879,6,0.393,0.79,1.0,0.16070694263587143,0.15793982592008773,0.4835600712768145,0.47793160167226373,0.32003461037625935
EOS-2-27139,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)o1,POAVSOCHYLJDJZ-UHFFFAOYSA-N,2,1,0.373,21,810,431.459,4.588,6,0.424,0.78,1.0,0.19697073538482626,0.15021245973545336,0.6543245836474539,0.6529967103008704,0.413626122267151
EOS-2-27140,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)nn1,RTJQNCJVNYEOJT-UHFFFAOYSA-N,2,1,0.314,69,958,431.459,4.879,6,0.393,0.74,1.0,0.1830152148584744,0.12138475772736619,0.6366338839010349,0.6000017133849633,0.38525889246795975
EOS-2-27141,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)o5)n34)cc2)n1,YOQZRFJBDTVULG-UHFFFAOYSA-N,2,1,0.308,38,126,431.459,4.879,6,0.393,0.68,1.0,0.12493146460146666,0.09261702419299568,0.48356863820163115,0.44359536700705915,0.2861781235007882
EOS-2-27142,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)o1,MPWJWRPYFZWCGX-UHFFFAOYSA-N,2,1,0.368,93,651,431.459,4.879,6,0.393,0.85,1.0,0.19146220272770886,0.18257830169282435,0.4699129600438627,0.49919470906723323,0.33578704338290727
EOS-2-27143,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cc5)n34)cc2)o1,XAXAQIGHWRAVAX-UHFFFAOYSA-N,2,1,0.343,69,958,431.459,4.879,6,0.393,0.8,1.0,0.15803406209307108,0.16966794599410595,0.584846823384278,0.572390514700843,0.3712348365430745
EOS-2-27144,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)o1,IEWSJQZZBYCHKV-UHFFFAOYSA-N,2,1,0.337,69,57,431.459,4.879,6,0.393,0.73,1.0,0.1468199575080529,0.1316822013570009,0.5522668083064903,0.5062624220409842,0.33425784730313207
EOS-2-27145,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cn2)n1,WQHLLHMIOYSRMX-UHFFFAOYSA-N,2,1,0.315,38,57,431.459,4.879,6,0.393,0.7,1.0,0.16884552121170585,0.07618566239462682,0.5620159687478583,0.5365036666438215,0.33588770474950314
EOS-2-27146,c1ccc(-c2cccc(Oc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)cc1,RGGGLPDDNOXUGK-UHFFFAOYSA-N,2,1,0.427,12,695,431.455,5.906,6,0.338,0.82,1.0,0.6053646083201973,0.440040093208142,0.7469587416900829,0.7263809882804468,0.6296861078747173
EOS-2-27147,c1ccc(Oc2cccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)c2)cc1,WABRIOIYXHYAEH-UHFFFAOYSA-N,2,1,0.36,17,960,431.455,5.906,6,0.338,0.8,1.0,0.3518693029949969,0.22513021725721336,0.8167706120211089,0.8092231512576246,0.550748320882736
EOS-2-27148,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)s2)n1,KHMAQYRLBCTKBM-UHFFFAOYSA-N,2,1,0.478,56,415,468.546,4.233,6,0.363,0.6,1.0,0.414896168871222,0.3362774998286615,0.3158282502912754,0.2354190939620314,0.3256052532382976
EOS-2-27149,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccnn6C)cs5)n34)cc2)n[nH]1,LSXGSDDRLLPILS-UHFFFAOYSA-N,2,1,0.448,40,763,468.546,4.531,6,0.386,0.53,1.0,0.4036906312110205,0.3267853471317936,0.4415393050510589,0.33873620725104514,0.3776878726612295
EOS-2-27150,CCc1nc(-c2nnc3cncc(OCCc4ncccc4C#N)n23)ccc1-c1cnc(C)s1,AUZLCFFLPYWHON-UHFFFAOYSA-N,2,1,0.42,31,690,468.546,4.069,5,0.351,0.62,0.817,0.4707268179014461,0.4131399492838051,0.13330135014735112,0.11247515591803166,0.28241081831265846
EOS-2-27151,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(-c6ccccc6)c5)c4)n23)cc1,NFHWTTTWBSVTNE-UHFFFAOYSA-N,2,1,0.592,21,47,468.56,7.013,6,0.264,0.81,1.0,0.9111267219518882,0.7210352271948461,0.9242084161469399,0.9168322938797889,0.8683006647933658
EOS-2-27152,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cc1,ZFRYVHACJKNDNO-UHFFFAOYSA-N,2,1,0.833,21,47,468.56,6.747,6,0.26,0.8,1.0,0.9649355767253787,0.9416935096977589,0.8936501953258859,0.8985761770954698,0.9247138647111233
EOS-2-27153,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)cc1,HQAASAWWGOYRAA-UHFFFAOYSA-N,2,1,0.554,72,534,431.437,3.797,5,0.294,0.7,1.0,0.602563223905147,0.2604859159756014,0.2757864436981701,0.1217017339455829,0.31513432938112534
EOS-2-27154,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)cn1,JCTAGHCYYSEAOA-UHFFFAOYSA-N,2,1,0.42,31,194,431.435,2.62,5,0.362,0.63,1.0,0.3427540949900624,0.1784661777808238,0.23218079638133096,0.18632204783770817,0.2349307792474813
EOS-2-27155,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)n(C)n1,ZUDNTDDTSUGLTD-UHFFFAOYSA-N,2,1,0.495,65,349,431.435,2.446,5,0.403,0.69,1.0,0.4735624700157631,0.3799859502433007,0.14255362894935233,0.13680522239736825,0.2832268179014461
EOS-2-27156,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)n4)n23)n1,YZBZKXCNKLRTIA-UHFFFAOYSA-N,2,1,0.418,31,954,431.435,2.446,5,0.377,0.63,0.976,0.4634620656569118,0.3940528407922692,0.09506716469056267,0.08216537591666095,0.25868686176410116
EOS-2-27157,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)nn2C)cn1,PBQZKUHQLMRAAD-UHFFFAOYSA-N,2,1,0.462,65,569,431.435,2.446,5,0.403,0.64,1.0,0.3703481598245494,0.2812607086560208,0.22848845178534713,0.18367486806935782,0.2659430470838188
EOS-2-27158,CCn1cc(-c2ccc(-c3cncc4nnc(-c5nnc(C6(F)CCC6)o5)n34)cn2)cn1,PSXSOIIJUITIJS-UHFFFAOYSA-N,2,1,0.257,50,974,431.435,3.468,6,0.416,0.64,1.0,0.09167466246316222,0.1352974436296347,0.005448564183400726,0.026069152217120143,0.06462245562332945
EOS-2-27159,Cc1cncc(CCOc2cncc3nnc(-c4cc(-c5cncc(F)n5)n(C)n4)n23)c1,RPADVAHYUAEDQU-UHFFFAOYSA-N,2,1,0.409,31,569,431.435,2.446,5,0.403,0.54,0.981,0.3887413474059352,0.23502501542046467,0.15782845589747105,0.14154273182098553,0.23078438763621412
EOS-2-27160,CCn1ncnc1-c1cncc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,YJOFKFBZXGBLBY-UHFFFAOYSA-N,2,1,0.479,65,349,431.435,2.62,5,0.387,0.64,1.0,0.44024569940374203,0.31231581111644163,0.14545781646220274,0.15667192104722089,0.26367281200740184
EOS-2-27161,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nn2C)cn1,MZYIWZJXTVODFU-UHFFFAOYSA-N,2,1,0.447,65,569,431.435,2.446,5,0.403,0.61,0.993,0.38874991433075184,0.2762918922623535,0.20755945445822768,0.172683503529573,0.2613211911452265
EOS-2-27162,CCn1cc(-c2nc(COc3cncc4nnc(-c5cnc(C)nc5)n34)ccc2F)cn1,AINMNUHQVHOUQD-UHFFFAOYSA-N,2,1,0.452,92,986,431.435,2.886,5,0.404,0.74,1.0,0.307869577136591,0.3511239805359468,0.18348639572339112,0.132504626139401,0.2437461448838325
EOS-2-27163,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)nn1C,YAZYQTDSXGKJTO-UHFFFAOYSA-N,2,1,0.506,65,349,431.435,2.446,5,0.377,0.63,1.0,0.4543382907271606,0.3752998423685834,0.14256219587416902,0.11936296347063258,0.2728908231101364
EOS-2-27164,CCn1cnnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccn1,CZOXPHZFVJPDQZ-UHFFFAOYSA-N,2,1,0.511,75,359,431.435,2.62,5,0.362,0.61,1.0,0.5181875813857858,0.36071893633061475,0.16116098965115483,0.15929340004112125,0.29984022685216916
EOS-2-27165,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)n(C)n1,KMIUYJHIVDMVAV-UHFFFAOYSA-N,2,1,0.459,58,954,431.435,2.446,5,0.377,0.67,1.0,0.5156603385648687,0.5204406826125694,0.0722534439037763,0.06926358714275924,0.29440451305599336
EOS-2-27166,CCn1nncc1-c1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1F,CDOGTLRNXBOJEH-UHFFFAOYSA-N,2,1,0.478,37,795,431.435,2.62,5,0.387,0.63,1.0,0.5313206771297375,0.4837485436227812,0.11058186553354808,0.13251319306421766,0.3145410698375711
EOS-2-27167,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,UEYTWTUSZZJKSJ-UHFFFAOYSA-N,2,1,0.474,65,349,431.435,2.62,5,0.362,0.61,1.0,0.47357103694057984,0.38444075114796794,0.20394421218559386,0.1919847851415256,0.3134851963539168
EOS-2-27168,CCn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)c1,MAOQUQLQUHISIT-UHFFFAOYSA-N,2,1,0.406,31,194,431.435,2.62,5,0.362,0.61,0.987,0.4587845247070112,0.29708381879240625,0.23218936330614762,0.1836834349941745,0.29293528544993486
EOS-2-27169,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nn2C)cn1,WNPGBVULNHEYPC-UHFFFAOYSA-N,2,1,0.426,31,569,431.435,2.446,5,0.377,0.57,1.0,0.40369919813583716,0.2711346035227195,0.17395140840243986,0.14380439997258584,0.2481474025083956
EOS-2-27170,Cc1nc(-c2cncn2C)cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)n1,FLRKJFLICYDOLI-UHFFFAOYSA-N,2,1,0.417,31,330,431.435,2.446,5,0.377,0.65,1.0,0.49814954423959973,0.28126927558083753,0.19003152628332534,0.15145466383387018,0.2802262524844082
EOS-2-27171,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)n(C)n4)n23)ccc1F,HZSVVGJLANHSGP-UHFFFAOYSA-N,2,1,0.418,31,235,431.435,2.446,5,0.403,0.69,0.993,0.3404924268384621,0.2556113357549174,0.18026523199232403,0.15146323075868687,0.2319580563360976
EOS-2-27172,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,YQWQGRDLEMSSLV-UHFFFAOYSA-N,2,1,0.424,31,643,431.435,2.62,5,0.387,0.62,0.999,0.39747961071893634,0.26049448290041805,0.27162291823726953,0.2442515934480159,0.29346215132615994
EOS-2-27173,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)ccc2F)cn1,UEXCTZJYXOSRKQ-UHFFFAOYSA-N,2,1,0.5,20,847,431.435,2.62,5,0.387,0.71,1.0,0.6110016448495648,0.5295644575423206,0.23942841477623192,0.24114179973956548,0.4052840792269207
EOS-2-27174,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)nn2C)cn1,ZXJKXBFCEJZQFC-UHFFFAOYSA-N,2,1,0.423,31,569,431.435,2.446,5,0.403,0.64,1.0,0.3680436570488657,0.2659173463093688,0.10538174216983072,0.09922212322664656,0.20964121718867798
EOS-2-27175,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)ccc1F,BSOLZYYZGJTLOT-UHFFFAOYSA-N,2,1,0.576,15,447,431.435,2.446,5,0.403,0.74,1.0,0.6635597285998218,0.615405044205332,0.15459872524158727,0.14651154821465287,0.3950187615653485
EOS-2-27176,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)nc2F)n(C)n1,NLGLXVBRCUTUEO-UHFFFAOYSA-N,2,1,0.456,31,773,431.435,2.446,5,0.377,0.65,0.847,0.4807843876362141,0.43116475909807417,0.18673326022890824,0.14879891714070317,0.31187033102597495
EOS-2-27177,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5nnn(C)n5)n4)n23)cc1,NGVXLEZGHYJEKK-UHFFFAOYSA-N,2,1,0.547,36,258,431.435,2.446,5,0.403,0.66,1.0,0.6635682955246385,0.6537677335343705,0.08825645946131176,0.10547597834281407,0.3777671167157837
EOS-2-27178,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2F)n(C)n1,CXSFMJJHKWEBJL-UHFFFAOYSA-N,2,1,0.565,37,361,431.435,2.446,5,0.403,0.66,1.0,0.7060859433897608,0.6154136111301487,0.15460729216640395,0.14652011513946953,0.40565674045644573
EOS-2-27179,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)nc1,GTRSRMAPORIDHM-UHFFFAOYSA-N,2,1,0.376,92,908,431.435,2.886,5,0.404,0.62,1.0,0.4354567884312247,0.37530840929340004,0.1934497292851758,0.1539048043314372,0.2895299328353095
EOS-2-27180,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)n(C)n1,WHWUDWMKYPTAOX-UHFFFAOYSA-N,2,1,0.505,65,578,431.435,2.446,5,0.377,0.66,1.0,0.5390566102391885,0.5432458364745391,0.11920875882393256,0.10548454526763074,0.32674893770132274
EOS-2-27181,Cc1nc(-c2nnc3cncc(OCCc4cnncc4F)n23)ccc1-c1cncn1C,LJVTVIUXXRNPGH-UHFFFAOYSA-N,2,1,0.43,31,466,431.435,2.446,5,0.403,0.63,0.79,0.49815811116441644,0.42662428894524024,0.2428637516277157,0.19723631005414297,0.34122061544787885
EOS-2-27182,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)n(C)n1,RSHAYZYHTVUKAS-UHFFFAOYSA-N,2,1,0.495,65,904,431.435,2.446,5,0.403,0.67,1.0,0.5208947296278528,0.5341477623192379,0.12216434788568295,0.11482249331779865,0.32300733328764303
EOS-2-27183,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4ccc(F)nc4)ncn3)n12,PIBSGBCELNDDKT-UHFFFAOYSA-N,2,1,0.411,31,194,431.435,2.446,5,0.377,0.6,0.997,0.3680522239736824,0.317336029059009,0.17395997532725652,0.1465286820642862,0.2514692276060585
EOS-2-27184,Cc1nc(-c2cncn2C)cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)n1,WRWJDLISWMPUFU-UHFFFAOYSA-N,2,1,0.412,31,330,431.435,2.446,5,0.377,0.59,1.0,0.4784970187101638,0.2867178397642382,0.19687649921184291,0.1593019669659379,0.2803483311630457
EOS-2-27185,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cn1,MBKANTMMMGOUCB-UHFFFAOYSA-N,2,1,0.495,65,908,431.435,2.62,5,0.387,0.64,1.0,0.5909807415530122,0.49789253649509974,0.14852477554656981,0.15668048797203757,0.3485196353916798
EOS-2-27186,Cc1ncc(-c2ccncc2-c2nnc3cncc(OCCc4cc(F)n(C)n4)n23)cn1,NYJPNKYCGVYLKK-UHFFFAOYSA-N,2,1,0.456,65,349,431.435,2.446,5,0.403,0.61,1.0,0.4125916660955383,0.34116064697416215,0.1834949626482078,0.1438129668974025,0.27026506065382766
EOS-2-27187,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)cn1,MWBXAMQSCASDGC-UHFFFAOYSA-N,2,1,0.416,31,194,431.435,2.62,5,0.387,0.64,0.999,0.3589370159687479,0.2098382564594613,0.17706120211089027,0.15668905489685422,0.2256313823589884
EOS-2-27188,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)nn1C,RPPRZWFZOJPYSX-UHFFFAOYSA-N,2,1,0.5,87,304,431.435,2.446,5,0.403,0.67,0.997,0.5339678568980879,0.5251096566376533,0.0786957713659105,0.07694811870331025,0.3036803509012405
EOS-2-27189,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2)cn1,YSGYFUGTVYHMTB-UHFFFAOYSA-N,2,1,0.433,53,44,431.435,2.62,5,0.387,0.62,0.997,0.3887584812555685,0.2867264066890549,0.14853334247138647,0.14382153382221918,0.24195994105955726
EOS-2-27190,Cc1nc(-c2nc(C)c(F)[nH]2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,QDGDGLMANPUUDN-UHFFFAOYSA-N,2,1,0.444,31,851,431.435,2.744,5,0.436,0.67,0.999,0.5209032965526694,0.3607275032554314,0.13330991707216777,0.10764341032143102,0.2806460318004249
EOS-2-27191,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)nc1,BKNRGSQPVPZBLH-UHFFFAOYSA-N,2,1,0.434,31,908,431.435,2.62,5,0.387,0.59,0.999,0.4981666780892331,0.40833390446165446,0.11921732574874923,0.12399766979644987,0.28742889452402165
EOS-2-27192,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3cnn(C4CCOCC4)c3)n12,JFAAGKBKQDLBEW-UHFFFAOYSA-N,2,1,0.299,78,974,431.435,2.931,6,0.466,0.63,1.0,0.06788431224727572,0.1618806113357549,0.06586251799054212,0.18107052292509082,0.11917449112466588
EOS-2-27193,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ncn1,NRKZEGJUDUMXJD-UHFFFAOYSA-N,2,1,0.398,31,194,431.435,2.62,5,0.387,0.62,0.58,0.46347063258172844,0.24556233294496607,0.1739685422520732,0.16200911520800493,0.26125265574669315
EOS-2-27194,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nn2)cn1,IKBPVINBLSWOFG-UHFFFAOYSA-N,2,1,0.404,53,44,431.435,2.62,5,0.362,0.66,1.0,0.3542337742443972,0.27114317044753616,0.12742443972311698,0.12171030087039957,0.2186279213213625
EOS-2-27195,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)nn3)n12,PYWMCPZNWJUGPQ-UHFFFAOYSA-N,2,1,0.429,53,44,431.435,2.446,5,0.377,0.68,0.996,0.37740730587348364,0.3607360701802481,0.14257076279898567,0.13252175998903434,0.2533089747104379
EOS-2-27196,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)n(C)n1,GQRBGVZUYCKDAB-UHFFFAOYSA-N,2,1,0.511,65,349,431.435,2.446,5,0.403,0.68,1.0,0.4520937564251936,0.3895295044890686,0.16116955657597148,0.14653724898910286,0.2873325166198341
EOS-2-27197,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nn2)n1C,MVXQUKMLEAWXBJ-UHFFFAOYSA-N,2,1,0.43,31,466,431.435,2.446,5,0.403,0.6,0.709,0.5390651771640053,0.4037248989102872,0.15170310465355355,0.1391354259475019,0.308407151668837
EOS-2-27198,CCc1nc(-c2nnc3cncc(OCc4nnnn4C)n23)ccc1-c1cccc(F)c1,VVQMYDSSFFDGHT-UHFFFAOYSA-N,2,1,0.38,36,404,431.435,2.657,5,0.404,0.68,0.982,0.37035672674936604,0.4178431910081557,0.06784147762319238,0.10765197724624768,0.24092334315674044
EOS-2-27199,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cs2)cc1,XAQQVMQBNTZSIR-UHFFFAOYSA-N,2,1,0.561,12,427,468.567,5.617,6,0.316,0.75,1.0,0.4610461928586115,0.5251182235624701,0.4342145843328079,0.4281063669385238,0.4621213419231033
EOS-2-27200,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccs6)cs5)n34)cn2)cc1,UZNJDSDDRRTNOE-UHFFFAOYSA-N,2,1,0.489,28,363,468.567,5.617,6,0.316,0.74,1.0,0.3565125762456309,0.4575851552326777,0.3452470701117127,0.3776643136179837,0.3842522788020012
EOS-2-27201,c1ccc(-c2csc(COc3cncc4nnc(-c5ccnc(-c6ccsc6)c5)n34)n2)cc1,ZTRPLHDXDLLETA-UHFFFAOYSA-N,2,1,0.5,28,667,468.567,5.617,6,0.316,0.75,1.0,0.3819220752518676,0.42222088958947296,0.40836817216092114,0.42811493386334043,0.4101565177164005
EOS-2-27202,c1cc(-c2nccs2)cc(-c2nnc3cncc(OCc4cccc(-c5ccsc5)n4)n23)c1,CIVHRJWXXWAIAN-UHFFFAOYSA-N,2,1,0.506,28,667,468.567,5.617,6,0.316,0.72,1.0,0.3658762250702488,0.3753169762182167,0.4732540607223631,0.4470478377081763,0.4153737749297512
EOS-2-27203,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)s5)n34)cc2)nc1,OWAUWMRHVYOYSC-UHFFFAOYSA-N,2,1,0.518,40,25,468.567,5.617,6,0.316,0.71,1.0,0.5880422863408951,0.5710112398053595,0.5217085874854362,0.4779401685970804,0.5396755705571928
EOS-2-27204,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5O)n34)s2)n1,NODDTVWUECPVKF-UHFFFAOYSA-N,2,1,0.267,32,126,468.567,5.719,6,0.356,0.63,0.99,0.15804262901788774,0.12507710232335,0.4835772051264478,0.4562829826605442,0.30574497978205745
EOS-2-27205,c1csc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cn5)n34)cn2)c1,JKRNMRGOVWZZAD-UHFFFAOYSA-N,2,1,0.538,28,297,468.567,5.617,6,0.316,0.67,1.0,0.4447005003084093,0.4930607908984991,0.5454818038516894,0.5132187649921184,0.499115465012679
EOS-2-27206,COc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)s2)cc1,AYNPOGXTLSPDGG-UHFFFAOYSA-N,2,1,0.35,30,641,468.567,5.714,6,0.322,0.8,1.0,0.09168322938797889,0.032699952025221024,0.3414176547186622,0.37767288054280035,0.2108684291686656
EOS-2-27207,c1cc(-c2ccsc2)cc(-c2nnc3cncc(OCc4cccc(-c5nccs5)n4)n23)c1,FQJNUZNNDGZDQC-UHFFFAOYSA-N,2,1,0.523,28,667,468.567,5.617,6,0.316,0.65,1.0,0.3105767253786581,0.37999451716811733,0.4558546364197108,0.4500291275443767,0.3991137516277157
EOS-2-27208,c1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)cs1,IYMOSXAJQGDROM-UHFFFAOYSA-N,2,1,0.58,41,592,468.567,5.617,6,0.316,0.65,1.0,0.44470906723322595,0.46647762319237884,0.6190631211020492,0.5786872044410938,0.5272342539921869
EOS-2-27209,c1csc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)cc2)c1,ZJYWYNCPDOJSJR-UHFFFAOYSA-N,2,1,0.531,77,323,468.567,5.617,6,0.316,0.73,1.0,0.6362740730587348,0.5763912685902268,0.6101106846686314,0.5879223493934618,0.6026745939277638
EOS-2-27210,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccsc6)s5)n34)cc2)cc1,UCGHWGIULAAYHM-UHFFFAOYSA-N,2,1,0.494,12,285,468.567,5.617,6,0.316,0.7,1.0,0.43108765677472416,0.49306935782331573,0.3491107532040299,0.43110479062435747,0.42609313960660683
EOS-2-27211,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccc(O)cc1,NQYHGOUPDDGFKC-UHFFFAOYSA-N,2,1,0.457,95,493,431.431,3.053,5,0.441,0.7,1.0,0.4266157220204235,0.32679391405661024,0.47326262764717975,0.4436039339318758,0.4175690494140223
EOS-2-27212,COc1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1cncn1C,DOJCEWSMPAHZCZ-UHFFFAOYSA-N,2,1,0.523,4,248,431.431,3.314,5,0.407,0.74,1.0,0.6635768624494551,0.520449249537386,0.6248800630525666,0.46896203138921255,0.569467051607155
EOS-2-27213,CCn1cc(COc2cncc3nnc(-c4ccc(Oc5cccc(F)c5)cc4)n23)nn1,QZYKOWVADSDADF-UHFFFAOYSA-N,2,1,0.568,43,881,431.431,3.913,5,0.386,0.77,1.0,0.3027979576451237,0.4795935850866973,0.404915701459804,0.41834007264752243,0.40141182920978685
EOS-2-27214,CCc1nc(-c2cccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)no1,RJJSOXFGUCJJEV-UHFFFAOYSA-N,2,1,0.54,15,921,431.431,3.559,5,0.385,0.73,1.0,0.6393238982934686,0.5526437529984237,0.24642759235144954,0.24693304091563292,0.42133207113974375
EOS-2-27215,COc1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccnn1C,GTIZJEGXIYIELO-UHFFFAOYSA-N,2,1,0.529,4,224,431.431,3.314,5,0.407,0.66,1.0,0.5031783291069838,0.45759372215749433,0.5976543759851963,0.44361250085669246,0.5005097320265918
EOS-2-27216,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1cn(C)cn1,POEOVXMUNRMUIX-UHFFFAOYSA-N,2,1,0.483,16,591,431.431,3.314,5,0.407,0.75,1.0,0.8134809128915085,0.5816427935028442,0.6488417517647865,0.4870125419779316,0.6327445000342676
EOS-2-27217,COc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)n(C)n4)n23)c1,CLBDTSVLWFPEIF-UHFFFAOYSA-N,2,1,0.473,95,694,431.431,3.314,5,0.381,0.82,1.0,0.4354653553560414,0.457602289082311,0.562024535672675,0.44705640463299295,0.4755371461860051
EOS-2-27218,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1ccn(C)n1,ZGBLOZAQPQEFGI-UHFFFAOYSA-N,2,1,0.494,16,591,431.431,3.314,5,0.381,0.72,1.0,0.6510348845178535,0.4979011034199164,0.6366424508258516,0.4595983825645946,0.561294205332054
EOS-2-27219,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1nccn1C,HSAWIPJRSYVUEU-UHFFFAOYSA-N,2,1,0.489,16,375,431.431,3.314,5,0.407,0.75,1.0,0.7632958673154684,0.5157288739634021,0.5784387636214104,0.4311133575491741,0.5721442156123637
EOS-2-27220,COc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ncn(C)n4)n23)c(F)c1,DKOOJKNZFWXJQO-UHFFFAOYSA-N,2,1,0.456,43,936,431.431,3.314,5,0.407,0.71,1.0,0.4858645740524981,0.5385768624494551,0.45586320334452746,0.39045473236926875,0.46768984305393735
EOS-2-27221,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1ccnn1C,QBRMAZIPAFUPHO-UHFFFAOYSA-N,2,1,0.489,4,224,431.431,3.314,5,0.381,0.73,1.0,0.5031868960318004,0.4266328558700569,0.5688352409019258,0.41212905215543827,0.47769601123980543
EOS-2-27222,CCc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncco1,IUHNHNLQPZYAEI-UHFFFAOYSA-N,2,1,0.452,18,904,431.431,3.559,5,0.385,0.58,0.999,0.6166472483037488,0.48833184839969845,0.24287231855253238,0.21783976423822904,0.39142279487355214
EOS-2-27223,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1cncn1C,QSJAAYJOWKRPLE-UHFFFAOYSA-N,2,1,0.484,16,591,431.431,3.314,5,0.407,0.74,1.0,0.7803269138510041,0.49790967034473305,0.6708416146939894,0.5132273319169351,0.6155763827016654
EOS-2-27224,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5C)n34)cn2)o1,PTIBADWIIXXXIY-UHFFFAOYSA-N,2,1,0.571,84,483,431.431,3.614,5,0.402,0.81,1.0,0.7182081420053458,0.6925330683297923,0.35299157014598037,0.3041515317661572,0.516971078061819
EOS-2-27225,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cn[nH]c1,CXLSHQIYHZELCP-UHFFFAOYSA-N,2,1,0.516,15,771,431.431,3.346,5,0.421,0.64,1.0,0.8480912891508464,0.7444143650195326,0.6220701117126997,0.5196696593790693,0.6835613563155369
EOS-2-27226,Cc1noc(C)c1CCOc1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,GFELYVNVIOVKKL-UHFFFAOYSA-N,2,1,0.516,65,76,431.431,3.614,5,0.376,0.74,1.0,0.5107172229456515,0.6008926735658968,0.2464361592762662,0.22345109999314647,0.39537428894524024
EOS-2-27227,COc1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)c4)n23)cn1,HADPMLZNFLGQMI-UHFFFAOYSA-N,2,1,0.529,16,214,431.431,3.314,5,0.407,0.75,1.0,0.7455023644712494,0.562101637996025,0.660150092522788,0.48427969296141454,0.6130084469878692
EOS-2-27228,COc1cccc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4)n23)c1F,CMLMSGIMNMQDOL-UHFFFAOYSA-N,2,1,0.534,43,178,431.431,3.314,5,0.407,0.68,1.0,0.6420224796107189,0.610453361661298,0.6627887053663217,0.5228908231101363,0.6095388424371188
EOS-2-27229,Cn1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)c2)c1F,VNASXQJMFGQOJO-UHFFFAOYSA-N,2,1,0.552,16,256,431.431,2.797,5,0.441,0.71,1.0,0.6450209032965527,0.40373346583510383,0.7158865053800287,0.6028287985744637,0.5918674182715372
EOS-2-27230,COc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)c5)c4)n23)nc1,YRAMWMXQNZLIIL-UHFFFAOYSA-N,2,1,0.535,4,394,431.431,3.314,5,0.407,0.69,1.0,0.47585840586663014,0.5868857514906449,0.6765471866218902,0.522899390034953,0.5655476835035296
EOS-2-27231,COc1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1-c1cnn(C)c1,WWYIJHGUMLAROF-UHFFFAOYSA-N,2,1,0.483,16,375,431.431,3.314,5,0.407,0.71,1.0,0.6480792954561031,0.5482489205674731,0.7214892742101295,0.562718456582825,0.6201339867041327
EOS-2-27232,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)nn2)c1F,KAFADUYWOZKQPU-UHFFFAOYSA-N,2,1,0.517,72,534,431.431,2.797,5,0.441,0.7,1.0,0.7182167089301624,0.5868943184154616,0.6516003015557535,0.5528750599684737,0.6273965972174629
EOS-2-27233,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cc2)cn1,JILPOOBAMQCCBO-UHFFFAOYSA-N,2,1,0.529,4,519,431.431,2.76,5,0.423,0.72,1.0,0.4195223082722226,0.380003084092934,0.5252381605099034,0.47498457953533,0.4499370331025975
EOS-2-27234,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1ccc(O)cc1,VVNWZFOMXUUNJR-UHFFFAOYSA-N,2,1,0.439,95,266,431.431,3.053,5,0.441,0.72,1.0,0.38193064217668427,0.34637790418751285,0.3452556370365294,0.345084298540196,0.35466212048523066
EOS-2-27235,COc1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1cnn(C)c1,QSINDTIRDWKROJ-UHFFFAOYSA-N,2,1,0.535,4,83,431.431,3.314,5,0.407,0.67,1.0,0.49817524501404975,0.5575011993694743,0.6516088684805702,0.4900023987389487,0.5493219279007607
EOS-2-27236,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1nccn1C,IQTJVFOKMGKOBT-UHFFFAOYSA-N,2,1,0.505,4,248,431.431,3.314,5,0.381,0.71,1.0,0.605373175245014,0.4883404153245151,0.5007624563086834,0.35460215201151396,0.4872695497224316
EOS-2-27237,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(CO)cc4F)n23)c1,WJNAGPUZDSQUGG-UHFFFAOYSA-N,2,1,0.523,43,250,431.431,2.797,5,0.441,0.74,1.0,0.7425382084846823,0.6104619285861147,0.639906449181002,0.5754146391611267,0.6420803063532314
EOS-2-27238,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ccn(C)n1,XVGGXWUSJOWMMT-UHFFFAOYSA-N,2,1,0.483,16,591,431.431,3.314,5,0.407,0.74,1.0,0.6539990405044205,0.5109913645397848,0.630414296484134,0.4720546912480296,0.5668648481940922
EOS-2-27239,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cc[nH]n1,XTQJRULAPVQRHK-UHFFFAOYSA-N,2,1,0.5,35,777,431.431,3.346,5,0.421,0.62,1.0,0.8638715646631485,0.6826811047906244,0.610119251593448,0.49628195462956615,0.6632384689191968
EOS-2-27240,COc1ccc(-c2nn(C)cc2COc2cncc3nnc(-c4ccc(F)cc4)n23)cn1,JGLAHOQMJSTBPA-UHFFFAOYSA-N,2,1,0.593,16,32,431.431,3.314,5,0.407,0.74,1.0,0.5056884380782675,0.5710198067301762,0.5080529093276678,0.3962888081694195,0.4952624905763828
EOS-2-27241,CCn1ncnc1COc1cncc2nnc(-c3ccc(F)cc3Oc3ccccc3)n12,FHCRNWFEYFYETP-UHFFFAOYSA-N,2,1,0.438,43,881,431.431,3.913,5,0.386,0.74,1.0,0.34983037488863,0.3654735796038654,0.25376944691933384,0.2977691727777397,0.3167106435473922
EOS-2-27242,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1O,PDMJXVJLXPGKNN-UHFFFAOYSA-N,2,1,0.529,35,619,431.431,3.053,5,0.441,0.65,1.0,0.6333270509218011,0.47960215201151396,0.5620331025974916,0.4810242615310808,0.5389966417654719
EOS-2-27243,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)s6)cn5)n34)cc2)n1,NVMJIPZBGYCIAF-UHFFFAOYSA-N,2,1,0.297,38,532,468.571,5.112,6,0.355,0.65,1.0,0.04716092111575629,0.15022102666027004,0.1578370228222877,0.15147179768350352,0.1266726920704544
EOS-2-27244,Cc1cnc(-c2nc(C)sc2-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)cn1,VFMWPVODVVUJFO-UHFFFAOYSA-N,2,1,0.286,86,812,468.571,5.112,6,0.355,0.61,1.0,0.055170995819340686,0.08961003358234527,0.11641594133369886,0.14654581591391955,0.1019356966623261
EOS-2-27245,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1cocn1,ZEJMCNPTYOZLFX-UHFFFAOYSA-N,2,1,0.624,91,955,431.427,4.216,5,0.381,0.77,1.0,0.9606692481666781,0.7745014049756699,0.7582156808991845,0.6586423137550544,0.7880071619491467
EOS-2-27246,CCOc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3c(F)cccc3OC)n12,LREFDKUISPKMNF-UHFFFAOYSA-N,2,1,0.412,96,697,431.427,4.66,5,0.386,0.7,0.999,0.6053817421698308,0.5432544033993557,0.7582242478240011,0.6239891028716332,0.6327123740662052
EOS-2-27247,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1cocn1,FXOCONHODUNGMO-UHFFFAOYSA-N,2,1,0.691,91,955,431.427,4.216,5,0.381,0.76,1.0,0.9518710163799603,0.770346446439586,0.7582328147488178,0.6558494962648208,0.7840749434582962
EOS-2-27248,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cn2)cnn1,HQGAGCWAJSOBLE-UHFFFAOYSA-N,2,1,0.271,70,719,431.423,2.557,6,0.41,0.64,1.0,0.12494003152628333,0.0959923925707628,0.2792560482489206,0.2857412103351381,0.1964824206702762
EOS-2-27249,c1cnnc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)c1,KOBFOSVPOBBDCR-UHFFFAOYSA-N,2,1,0.232,86,165,431.423,2.557,6,0.41,0.61,1.0,0.07780481118497704,0.0864916729490782,0.190040093208142,0.21784833116304572,0.14304622712631074
EOS-2-27250,N#Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,SCHGUYNVSTVLLV-UHFFFAOYSA-N,2,1,0.308,98,7,431.423,2.696,6,0.449,0.64,1.0,0.010991364539784798,0.10545884449318073,0.32314440408470974,0.33233671441299434,0.1929828318826674
EOS-2-27251,N#Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cn4)n23)cn1,OXOIYXYNALPAAF-UHFFFAOYSA-N,2,1,0.297,70,664,431.419,3.566,6,0.415,0.63,0.999,0.01846172297991913,0.06115070934137482,0.4116236035912549,0.43112192447399084,0.23058949009663493
EOS-2-27252,Cc1nnc(CCOc2cncc3nnc(-c4cc(-c5cnc(CO)nc5)ccn4)n23)o1,NPYLVPAAKNFJTB-UHFFFAOYSA-N,2,1,0.424,31,779,431.416,1.449,5,0.399,0.62,1.0,0.32825029127544375,0.13169076828181756,0.023644712494003153,0.01721095195668563,0.12519918100198751
EOS-2-27253,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3ccc(-c4nnco4)s3)n12,JCUATFWTHFNBEE-UHFFFAOYSA-N,2,1,0.313,76,653,431.416,3.494,6,0.45,0.61,1.0,0.3206599958878761,0.4750531149338633,0.2976406689054897,0.3418374340346789,0.35879780344047696
EOS-2-27254,COc1nc(-c2nnc3cncc(OCc4ccnc(C)n4)n23)ccc1-c1nnc(C)o1,QXDBYUHNTVNPJT-UHFFFAOYSA-N,2,1,0.39,31,587,431.416,2.231,5,0.391,0.69,1.0,0.20242786649304365,0.08315913919539442,0.02675450620245357,0.006947776026317593,0.07982232197930231
EOS-2-27255,COCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)cn2)o1,QYZSOBONIRTNRR-UHFFFAOYSA-N,2,1,0.415,53,617,431.416,2.06,5,0.374,0.68,1.0,0.3230073332876431,0.19566856281269276,0.03253718045370434,0.017784935919402372,0.14224950311836063
EOS-2-27256,COc1ncncc1CCOc1cncc2nnc(-c3cncc(-c4noc(C)n4)c3)n12,OWMDLEDKBSVTMF-UHFFFAOYSA-N,2,1,0.461,65,131,431.416,1.965,5,0.373,0.64,1.0,0.35894558289356454,0.15425604824892056,0.036529367418271536,0.017219518881502294,0.14173762936056472
EOS-2-27257,COc1cc(-c2nnc3cncc(OCc4ccnnc4)n23)ccc1-c1n[nH]c(=O)n1C,TYOBIONNANOPDB-UHFFFAOYSA-N,2,1,0.441,36,375,431.416,1.258,5,0.421,0.61,1.0,0.37264409567541634,0.1869302994996916,0.10790898499074772,0.06409773147830855,0.18289527791104107
EOS-2-27258,COc1cc(-c2nnc3cncc(OCc4cccnc4)n23)ccc1-c1noc(=O)n1C,SRVRTEFXNMAMPZ-UHFFFAOYSA-N,2,1,0.506,16,375,431.412,2.128,5,0.398,0.79,1.0,0.38876704818038516,0.1618891782605716,0.14257932972380236,0.09128915084641218,0.19613117675279282
EOS-2-27259,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cnoc3-c3ccsc3)n12,DQEMEBSHKJKVNK-UHFFFAOYSA-N,2,1,0.325,42,106,431.412,4.364,6,0.405,0.68,1.0,0.3357634843396614,0.3560756630799808,0.5186416284010692,0.5593602220546913,0.44246024946885065
EOS-2-27260,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ncn4)n23)ccn1,HCBFLKHEKHFNGM-UHFFFAOYSA-N,2,1,0.451,44,488,431.406,3.809,5,0.418,0.63,0.987,0.7718627921321363,0.6243317798642999,0.7920807346994723,0.744971215132616,0.7333116304571312
EOS-2-27261,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)c4)n23)n1,AQZLPMGPUDHNLP-UHFFFAOYSA-N,2,1,0.529,11,639,431.406,3.543,5,0.38,0.71,1.0,0.9154187512850387,0.8827016654101844,0.6765557535467068,0.6673377424439723,0.7855034781714756
EOS-2-27262,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)cn1,GQXCHPVPEDHICQ-UHFFFAOYSA-N,2,1,0.662,59,577,431.406,3.809,5,0.418,0.76,1.0,0.9261017065314234,0.7832139675142211,0.8130868343499418,0.7501542046467,0.8181391782605716
EOS-2-27263,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cn1,JXQIGUIVQZICEQ-UHFFFAOYSA-N,2,1,0.605,72,22,431.406,4.16,5,0.399,0.72,1.0,0.8805599342060174,0.6339610033582346,0.8459409910218628,0.7579929408539511,0.7796137173600165
EOS-2-27264,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)cn1,FSTMHKVNQSHDNC-UHFFFAOYSA-N,2,1,0.442,11,157,431.406,3.543,5,0.38,0.72,1.0,0.6420310465355356,0.6154221780549654,0.6429648413405524,0.6359827976149681,0.6341002158865053
EOS-2-27265,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)nc1,YCFDMDLKWYBOIF-UHFFFAOYSA-N,2,1,0.554,58,56,431.406,3.543,5,0.38,0.74,1.0,0.919565142896306,0.9210300870399561,0.6791772325406072,0.6558580631896375,0.7939076314166267
EOS-2-27266,Fc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)c1,NEPAWRHALQQPLT-UHFFFAOYSA-N,2,1,0.56,35,494,431.406,3.543,5,0.406,0.67,1.0,0.9469536015351929,0.9191967651291892,0.8088719073401411,0.7985230621616065,0.8683863340415324
EOS-2-27267,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)cn1,CIQJRSDLPRZTSP-UHFFFAOYSA-N,2,1,0.411,46,332,431.406,3.809,5,0.418,0.7,1.0,0.7244277294222465,0.5710283736549928,0.7654290315948187,0.7211979987663628,0.6955207833596053
EOS-2-27268,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)cc1,PAORXHVJOBWVON-UHFFFAOYSA-N,2,1,0.566,27,343,431.406,4.16,5,0.399,0.72,1.0,0.7244362963470633,0.6631313823589884,0.8961774381468028,0.841734630936879,0.7813699369474333
EOS-2-27269,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)c1,DRPMADYJKVXXSB-UHFFFAOYSA-N,2,1,0.432,18,157,431.406,3.543,5,0.38,0.68,1.0,0.7689243369200192,0.6680402302789391,0.7187135905695292,0.7131707902131451,0.717212236995408
EOS-2-27270,Cc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)nn1,JGSSMZZQSMLMAW-UHFFFAOYSA-N,2,1,0.483,4,137,431.406,3.809,5,0.418,0.61,1.0,0.6110102117743814,0.6433246521828524,0.7560139812213008,0.7345966691796313,0.6862363785895416
EOS-2-27271,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)c(F)c2)nn1,ATCBUJRTKCVCBS-UHFFFAOYSA-N,2,1,0.478,16,820,431.406,3.809,5,0.418,0.71,1.0,0.8186125008566925,0.7398139263929819,0.7560225481461175,0.7184565828250291,0.7582263895552053
EOS-2-27272,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)c1,YFXPOTHFQWQHIL-UHFFFAOYSA-N,2,1,0.522,35,76,431.406,3.543,5,0.38,0.75,1.0,0.9181258995271058,0.9003752313069701,0.7214978411349462,0.7046295661709273,0.8111571345349874
EOS-2-27273,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)ccn1,TUIYTXSWPLQJCD-UHFFFAOYSA-N,2,1,0.595,35,215,431.406,3.543,5,0.38,0.65,1.0,0.9424473990816257,0.9247395654855733,0.8167791789459256,0.7894164210814886,0.8683456411486533
EOS-2-27274,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ccn4)n23)c1,BLZBXSURDPUJOQ-UHFFFAOYSA-N,2,1,0.452,18,367,431.406,3.543,5,0.38,0.69,1.0,0.6277242820917004,0.5869028853402782,0.6737286683572065,0.6792457679391406,0.6419004009320814
EOS-2-27275,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cncnc4)cc3F)n12,GJJQSHGQKXVBIE-UHFFFAOYSA-N,2,1,0.553,35,215,431.406,3.543,5,0.406,0.72,1.0,0.8916027002947022,0.8960146665752862,0.8110821739428414,0.7939483243095059,0.8481619662805839
EOS-2-27276,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ncncn4)c(F)c3)n12,YASYFWFJCAEMIA-UHFFFAOYSA-N,2,1,0.714,88,70,431.406,3.543,5,0.406,0.72,1.0,0.9691505037351792,0.951879583304777,0.7517305188129669,0.7425724761839491,0.8538332705092181
EOS-2-27277,FC(F)c1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,KPRJSSNEZOKOGD-UHFFFAOYSA-N,2,1,0.456,27,700,431.406,4.16,5,0.399,0.76,1.0,0.6025717908299637,0.6199369474333494,0.7158950723048455,0.6586508806798711,0.6492636728120074
EOS-2-27278,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cccnc5F)ccn4)n23)ccn1,FOPYFPQDSWAQHL-UHFFFAOYSA-N,2,1,0.456,18,578,431.406,3.543,5,0.38,0.68,1.0,0.8056421766842574,0.692541635254609,0.7133592625591118,0.6908111164416421,0.7255885477349051
EOS-2-27279,FC(F)c1cnc(COc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)cn1,WOPXNGQLHYTTKZ-UHFFFAOYSA-N,2,1,0.5,27,700,431.406,4.16,5,0.399,0.58,0.992,0.5313292440545542,0.5621102049208416,0.6627972722911384,0.6092197244876979,0.591364111438558
EOS-2-27280,FC(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cn1,YIRLFFXRJNNLHM-UHFFFAOYSA-N,2,1,0.506,27,988,431.406,4.16,5,0.399,0.73,1.0,0.7485864574052498,0.682689671715441,0.8779727229113837,0.8113734493866082,0.7801555753546706
EOS-2-27281,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nc2)cn1,DJZNJKAOIGGSBC-UHFFFAOYSA-N,2,1,0.446,11,529,431.406,3.543,5,0.38,0.68,1.0,0.7334315674045645,0.7444229319443493,0.6399150161058187,0.6297460763484339,0.6868788979507916
EOS-2-27282,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2)c1,NLSLYRYRMLYOFU-UHFFFAOYSA-N,2,1,0.457,87,529,431.406,3.543,5,0.406,0.7,1.0,0.7541720923857173,0.7303646083201973,0.6653673497361388,0.6823469947227743,0.7080627612912069
EOS-2-27283,Cc1ncnc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)n1,RGJIXYMTIJMTKU-UHFFFAOYSA-N,2,1,0.529,43,337,431.406,3.809,5,0.418,0.65,1.0,0.9033565211431704,0.7786477965869372,0.7469673086148996,0.6938609416763758,0.7807081420053458
EOS-2-27284,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)c1,FCXXHFWOBBOZRP-UHFFFAOYSA-N,2,1,0.62,75,752,431.406,3.543,5,0.406,0.67,1.0,0.7718713590569529,0.7398224933177986,0.7316496470426975,0.7157922692070454,0.7397839421561236
EOS-2-27285,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ncc2F)nn1,XZGNDOOKZNMCBN-UHFFFAOYSA-N,2,1,0.535,34,32,431.406,3.809,5,0.418,0.7,1.0,0.8029521622918238,0.8194606264135426,0.7133678294839284,0.6908196833664588,0.7566500753889384
EOS-2-27286,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)nc1,FFDQIIPHJNZYJW-UHFFFAOYSA-N,2,1,0.467,11,529,431.406,3.543,5,0.38,0.68,1.0,0.7689329038448358,0.7703550133644027,0.6653759166609554,0.6586594476046879,0.7158308203687205
EOS-2-27287,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nc2)c1,VFCAHWVXDIBVJO-UHFFFAOYSA-N,2,1,0.423,87,529,431.406,3.543,5,0.38,0.73,1.0,0.7515077787677336,0.730373175245014,0.6334298540196012,0.6445582893564527,0.6899672743472003
EOS-2-27288,Fc1cc(F)nc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,DMYMFPIDWMHUMS-UHFFFAOYSA-N,2,1,0.452,11,529,431.406,3.543,5,0.38,0.69,1.0,0.77452710575012,0.7444314988691659,0.6276129120690837,0.6359913645397848,0.6956407203070385
EOS-2-27289,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)c1,ZFMIOHGNWYETNN-UHFFFAOYSA-N,2,1,0.462,11,529,431.406,3.543,5,0.38,0.63,1.0,0.7718799259817696,0.7703635802892194,0.6708501816188062,0.6703190322801728,0.720853180042492
EOS-2-27290,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)cn1,ZHZIIKMFIKWLRI-UHFFFAOYSA-N,2,1,0.58,72,889,431.406,3.543,5,0.38,0.72,1.0,0.9682081420053458,0.9476646562949763,0.7107292166403948,0.6792543348639573,0.8264640874511685
EOS-2-27291,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)c1,LXWFEKNSHLYADX-UHFFFAOYSA-N,2,1,0.539,84,159,431.406,3.543,5,0.38,0.73,1.0,0.7661486532794188,0.7574703584401343,0.7264238229045302,0.7263895552052635,0.7441080974573366
EOS-2-27292,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)c4)n23)cn1,LTJLPMDXINIEGT-UHFFFAOYSA-N,2,1,0.602,35,669,431.406,3.543,5,0.38,0.72,1.0,0.9395860461928586,0.9192053320540059,0.7582413816736344,0.7289510657254472,0.8364959564114866
EOS-2-27293,Cc1ncc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)cn1,DPWDQSFEZIUSOI-UHFFFAOYSA-N,2,1,0.506,2,884,431.406,3.809,5,0.418,0.7,1.0,0.8056507436090741,0.7398310602426154,0.8088804742649579,0.7657974093619354,0.7800399218696457
EOS-2-27294,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cc1F,JXMORPKUXCZTNC-UHFFFAOYSA-N,2,1,0.61,84,308,431.406,3.543,5,0.406,0.82,1.0,0.8766191487903502,0.787368926050305,0.8028836268932904,0.7778082379549037,0.8111699849222124
EOS-2-27295,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncc(F)c5)cn4)n23)nc1,TVHRRBCOIGLQID-UHFFFAOYSA-N,2,1,0.473,87,529,431.406,3.543,5,0.406,0.73,1.0,0.7455109313960661,0.7444400657939826,0.6601586594476047,0.6703275992049894,0.7051093139606607
EOS-2-27296,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)c1,JCDGPYUQRNVZCQ-UHFFFAOYSA-N,2,1,0.467,19,691,431.406,3.543,5,0.406,0.71,0.999,0.742546775409499,0.7025820711397437,0.5784473305462271,0.6474453430196696,0.6677553800287848
EOS-2-27297,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cncnc4)c3)n12,WIZOPIPWPOOQGO-UHFFFAOYSA-N,2,1,0.56,35,494,431.406,3.543,5,0.406,0.67,1.0,0.9195737098211226,0.9133798231786718,0.8276334726886437,0.8092317181824412,0.8674546809677198
EOS-2-27298,Fc1cccc(F)c1CCOc1cncc2nnc(-c3cc(-c4cncnc4)ccn3)n12,MOIGIXFKEYGNRY-UHFFFAOYSA-N,2,1,0.5,18,749,431.406,3.543,5,0.406,0.7,0.992,0.6966623260914262,0.6104704955109314,0.7560311150709341,0.7527242820917004,0.703972054691248
EOS-2-27299,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(F)c5)cn4)n23)cc1F,SZXZUHABRRGUOA-UHFFFAOYSA-N,2,1,0.488,51,969,431.406,3.809,5,0.418,0.77,1.0,0.8434994174491125,0.8234356795284764,0.7582499485984511,0.7289596326502639,0.7885361695565759
EOS-2-27300,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)c1,QLTOQVPUVHCPMK-UHFFFAOYSA-N,2,1,0.5,87,304,431.406,3.543,5,0.38,0.71,0.999,0.8480998560756631,0.8982249331779865,0.6737372352820231,0.6645791926530052,0.7711603042971695
EOS-2-27301,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cc2F)cn1,VCXDSDGABQZZIN-UHFFFAOYSA-N,2,1,0.529,35,795,431.406,3.543,5,0.38,0.73,1.0,0.9016345692550202,0.8935216914536358,0.6488503186896032,0.6558666301144541,0.7749683023781783
EOS-2-27302,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)c(F)c1,NRDBEWJYJRFNKD-UHFFFAOYSA-N,2,1,0.444,19,691,431.406,3.543,5,0.406,0.74,0.976,0.7661572202042355,0.6877270235076417,0.4904735796038654,0.5593687889795079,0.6259316530738127
EOS-2-27303,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)cn1,HNYINSFKXWECLM-UHFFFAOYSA-N,2,1,0.5,11,699,431.406,3.543,5,0.38,0.7,1.0,0.8213025152491261,0.877655746693167,0.6276214789939003,0.6268675896100336,0.7383618326365567
EOS-2-27304,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cn2)n1,SSMFAVFTMNAYHA-UHFFFAOYSA-N,2,1,0.489,55,109,431.406,3.809,5,0.418,0.68,1.0,0.8134894798163251,0.7832225344390378,0.7469758755397162,0.7104465081214447,0.7635335994791309
EOS-2-27305,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)nc1,MRXHTJJYBRAGDV-UHFFFAOYSA-N,2,1,0.479,87,307,431.406,3.543,5,0.406,0.65,1.0,0.7916866561579056,0.7256870673702968,0.6708587485436228,0.6792629017887739,0.7168738434651498
EOS-2-27306,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cnn2)c1,UUWHAYMUVVMYDJ-UHFFFAOYSA-N,2,1,0.495,11,490,431.406,3.543,5,0.406,0.54,0.998,0.72444486327188,0.735016448495648,0.668014529504489,0.7131793571379618,0.7101637996024946
EOS-2-27307,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cnn2)cc1,RXSVZKCAYYWMJJ-UHFFFAOYSA-N,2,1,0.5,11,490,431.406,3.543,5,0.406,0.58,1.0,0.7455194983208827,0.807869577136591,0.6819100815571243,0.7212065656911795,0.7391264306764445
EOS-2-27308,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)cn1,JWUQTMGVLOJCEV-UHFFFAOYSA-N,2,1,0.484,11,173,431.406,3.543,5,0.38,0.71,1.0,0.8239411280926598,0.8748115276540334,0.6460403673497361,0.6268761565348503,0.7429172949078199
EOS-2-27309,Cc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccc(F)nc1,KFEBOCDKHICSMF-UHFFFAOYSA-N,2,1,0.446,46,122,431.406,3.809,5,0.391,0.63,1.0,0.6305085326571174,0.5915632924405455,0.6844458913028579,0.6416798026180522,0.6370493797546433
EOS-2-27310,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)c1,OSBKHFAXYJKVDB-UHFFFAOYSA-N,2,1,0.451,18,529,431.406,3.543,5,0.38,0.76,1.0,0.8526488931533137,0.7917723254060722,0.7187221574943459,0.707525186758961,0.7676671407031733
EOS-2-27311,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccn2)nc1,BRMMEMDIFKVHPP-UHFFFAOYSA-N,2,1,0.56,75,583,431.406,3.543,5,0.38,0.67,1.0,0.907956959769721,0.8040915632924406,0.6981187033102597,0.6762302104036735,0.7715993591940237
EOS-2-27312,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)c1F,OBZKBJSPGVTPFC-UHFFFAOYSA-N,2,1,0.552,84,73,431.406,3.543,5,0.406,0.67,1.0,0.8786666438215338,0.8935302583784525,0.7941282297306559,0.7630645603454184,0.8323474230690152
EOS-2-27313,FCc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)ccn1,ODZTULMYVOZXRP-UHFFFAOYSA-N,2,1,0.517,16,253,431.406,3.831,5,0.404,0.67,1.0,0.8001764786512233,0.739839627167432,0.8110907408676582,0.7630731272702351,0.7785449934891372
EOS-2-27314,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnnc5)n34)ccn2)cc1F,DQOFUMAQFITUDC-UHFFFAOYSA-N,2,1,0.583,35,202,431.406,3.543,5,0.406,0.68,1.0,0.9111352888767048,0.8377253101226784,0.7860753204029881,0.7753580974573367,0.8275735042149269
EOS-2-27315,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2)nc1,NMUPRYKZPPFCRA-UHFFFAOYSA-N,2,1,0.457,11,162,431.406,3.543,5,0.406,0.68,0.999,0.7718884929065862,0.7487577959015832,0.6160646974162155,0.6297546432732506,0.6916164073744089
EOS-2-27316,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)nn1,FBNLZWCCGDEHMM-UHFFFAOYSA-N,2,1,0.524,4,534,431.406,3.809,5,0.391,0.64,1.0,0.6758361318621068,0.6973733808512097,0.7391714070317319,0.7075337536837777,0.7049786683572065
EOS-2-27317,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnccc5F)cc4)n23)cn1,IIWLTWKORNBSEF-UHFFFAOYSA-N,2,1,0.578,72,889,431.406,3.543,5,0.38,0.6,1.0,0.9549636762387773,0.9265043519978069,0.7187307244191625,0.7020509218011103,0.8255624186142142
EOS-2-27318,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c(F)c1,LLQIXDOAIIOLPE-UHFFFAOYSA-N,2,1,0.57,84,56,431.406,3.543,5,0.406,0.65,1.0,0.8805685011308341,0.9003837982317867,0.7517390857377836,0.7263981221300801,0.8147723768076212
EOS-2-27319,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5ncc(F)cc5F)c4)n23)nn1,ULZRMNMMNHIKTN-UHFFFAOYSA-N,2,1,0.517,4,534,431.406,3.809,5,0.418,0.66,1.0,0.6025803577547804,0.5710369405798095,0.6366510177506682,0.6154136111301487,0.6064204818038517
EOS-2-27320,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)ccn2)cn1,KVZQAFWFEHTTTG-UHFFFAOYSA-N,2,1,0.512,24,912,431.406,3.809,5,0.418,0.69,1.0,0.7633044342402852,0.672889109725173,0.7582585155232677,0.7184651497498458,0.7282293023096429
EOS-2-27321,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)n1,QJUAFSTYJHWZLP-UHFFFAOYSA-N,2,1,0.467,19,691,431.406,3.543,5,0.38,0.71,1.0,0.7274175861832637,0.7073110136385443,0.5454903707765061,0.6061441984785142,0.646590792269207
EOS-2-27322,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cc2F)cn1,MGRFUYPVTHQILC-UHFFFAOYSA-N,2,1,0.511,72,111,431.406,3.543,5,0.38,0.72,1.0,0.8266739771091769,0.885468782125968,0.7031903228017271,0.7131879240627784,0.7821302515249126
EOS-2-27323,Cc1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1ccc(F)nc1,KPXFLESPKMXJOV-UHFFFAOYSA-N,2,1,0.477,46,959,431.406,3.809,5,0.391,0.61,1.0,0.7832311013638544,0.5869114522650949,0.7343567952847646,0.6731889520937564,0.6944220752518676
EOS-2-27324,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccn2)cn1,WFLTVIYQKNTPNB-UHFFFAOYSA-N,2,1,0.512,59,577,431.406,3.809,5,0.418,0.74,1.0,0.8705109313960661,0.7210437941196628,0.8009389349599068,0.7372695497224316,0.7824408025495168
EOS-2-27325,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)ccn1,FSINWJYWBSEUTB-UHFFFAOYSA-N,2,1,0.547,19,691,431.406,3.543,5,0.38,0.75,1.0,0.8455811801795627,0.770372147214036,0.6488588856144198,0.6852854499348914,0.7375244157357275
EOS-2-27326,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)cnn1,BGKRGQVHDKMNRB-UHFFFAOYSA-N,2,1,0.5,19,275,431.406,3.543,5,0.406,0.64,1.0,0.7334401343293812,0.7350250154204647,0.6128606675347817,0.6703361661298061,0.6879154958536084
EOS-2-27327,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)cc1F,SOVZZMSGOWDJKR-UHFFFAOYSA-N,2,1,0.547,91,33,431.406,3.543,5,0.406,0.74,1.0,0.8108508669727914,0.7662428894524022,0.7187392913439792,0.7630816941950518,0.7647286854910561
EOS-2-27328,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)nc1,AKSWQMOLGCNCFC-UHFFFAOYSA-N,2,1,0.563,72,889,431.406,3.543,5,0.406,0.67,1.0,0.9462339798505929,0.9297940511274073,0.6516174354053869,0.6416883695428689,0.792333458981564
EOS-2-27329,COc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4ncccn4)cn3)n12,FXODWJSUXZKYNC-UHFFFAOYSA-N,2,1,0.349,82,155,431.406,4.257,5,0.411,0.76,1.0,0.42662428894524024,0.41785175793297236,0.8130954012747584,0.7104550750462614,0.5920066307998081
EOS-2-27330,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)cn1,HVCZOPVLSWDULI-UHFFFAOYSA-N,2,1,0.602,35,215,431.406,3.543,5,0.38,0.66,1.0,0.9356109930779247,0.9229233774244398,0.8088890411897746,0.7803354807758207,0.8619397231169899
EOS-2-27331,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ncn2)cc1,OMVIVYFOYSLCSV-UHFFFAOYSA-N,2,1,0.5,44,130,431.406,3.543,5,0.406,0.7,0.995,0.8435079843739292,0.707319580563361,0.6927643752998424,0.7184737166746624,0.7405164142279488
EOS-2-27332,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)ccn1,SAHCOMGUYOZVKY-UHFFFAOYSA-N,2,1,0.583,35,494,431.406,3.543,5,0.38,0.66,1.0,0.9462425467754095,0.9417020766225755,0.822184908505243,0.7985316290864232,0.8771652902474127
EOS-2-27333,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)nn1,JQSRBAQDYHAVGS-UHFFFAOYSA-N,2,1,0.548,43,178,431.406,3.809,5,0.418,0.72,1.0,0.9424559660064423,0.8692173257487492,0.7769087108491536,0.7425810431087657,0.8327907614282777
EOS-2-27334,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)c1,YBTXHIDNDMBEOQ-UHFFFAOYSA-N,2,1,0.614,84,76,431.406,3.543,5,0.38,0.74,1.0,0.8953036118155027,0.9192138989788226,0.7215064080597628,0.6938695086011926,0.8074733568638202
EOS-2-27335,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cn1,IAJMYHIIITYGSY-UHFFFAOYSA-N,2,1,0.489,27,348,431.406,4.16,5,0.399,0.77,0.996,0.7633130011651018,0.5621187718456583,0.7815948187238709,0.682355561647591,0.6973455383455555
EOS-2-27336,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)nc1,BKTFMOYBQUKNDU-UHFFFAOYSA-N,2,1,0.477,19,691,431.406,3.543,5,0.406,0.67,0.999,0.7718970598314029,0.7073281474881776,0.5755174422589268,0.6359999314646014,0.6726856452607772
EOS-2-27337,Cc1nccc(-c2cc(-c3nnc4cncc(OCc5cccnc5F)n34)ccc2F)n1,KLSHOWNLSGSBON-UHFFFAOYSA-N,2,1,0.506,97,253,431.406,3.809,5,0.391,0.7,1.0,0.945300185045576,0.8194691933383592,0.7492204098416833,0.6878897950791584,0.8004698958261942
EOS-2-27338,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2)cc1,AGSSKYLGHWCQOI-UHFFFAOYSA-N,2,1,0.473,19,691,431.406,3.543,5,0.406,0.69,0.935,0.7776540333082037,0.7745099719004866,0.6009526420396134,0.6616750051401549,0.7036979130971146
EOS-2-27339,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nc2F)ccn1,HPOSLTCTCBNOEX-UHFFFAOYSA-N,2,1,0.461,18,384,431.406,3.543,5,0.38,0.62,1.0,0.8455897471043794,0.7487663628263999,0.681918648481941,0.6645877595778219,0.7352156294976355
EOS-2-27340,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)n5)n34)c2)cc1F,ZYBZMWJPOUBJOJ-UHFFFAOYSA-N,2,1,0.467,46,157,431.406,3.809,5,0.391,0.73,1.0,0.5313378109793708,0.4979182372695497,0.7031988897265438,0.6503495305325201,0.5957011171269961
EOS-2-27341,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nc1,XWYAITPDVXNHSP-UHFFFAOYSA-N,2,1,0.483,11,162,431.406,3.543,5,0.406,0.66,1.0,0.7541806593105339,0.7662514563772188,0.6128692344595984,0.6182749640189158,0.6878940785415667
EOS-2-27342,Cc1cc(COc2cncc3nnc(-c4cc(F)c(-c5ccnnc5)cc4F)n23)ccn1,FHCLDQRSUDOTFC-UHFFFAOYSA-N,2,1,0.482,16,202,431.406,3.809,5,0.418,0.67,1.0,0.7888595709684052,0.7303817421698308,0.8492992255499966,0.7985401960112398,0.7917701836748681
EOS-2-27343,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)ccn2)nc1,HGPFSTSDCJYROM-UHFFFAOYSA-N,2,1,0.75,75,166,431.406,3.543,5,0.406,0.73,1.0,0.8880045918717018,0.7614625454047015,0.6160732643410322,0.6239976697964499,0.7223845178534714
EOS-2-27344,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnnc5)c4)n23)cc1,HTORYUHCIQHJHT-UHFFFAOYSA-N,2,1,0.549,97,202,431.406,4.16,5,0.399,0.68,1.0,0.8592368583373312,0.6386214104585018,0.9177232540607224,0.8749657323007334,0.8226368137893222
EOS-2-27345,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)nn1,NUGMXWBRKMDMDA-UHFFFAOYSA-N,2,1,0.462,19,503,431.406,3.543,5,0.406,0.62,1.0,0.6998320882735933,0.6243403467891165,0.5784558974710438,0.6360084983894181,0.6346592077307929
EOS-2-27346,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4cncnn4)cc3)n12,ZCJGTOQZEXEAFS-UHFFFAOYSA-N,2,1,0.595,91,803,431.406,3.543,5,0.406,0.71,1.0,0.9632307586868618,0.9417106435473922,0.7838136522513879,0.7778168048797204,0.8666429648413405
EOS-2-27347,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cc1F,YOBQCCNBCYSLNI-UHFFFAOYSA-N,2,1,0.737,91,781,431.406,3.543,5,0.406,0.74,1.0,0.9718319512027962,0.947673223219793,0.8256288122815434,0.8027551230210404,0.8869722774312933
EOS-2-27348,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ncn2)cc1,JRGMFGXZWBZNQH-UHFFFAOYSA-N,2,1,0.447,44,130,431.406,3.543,5,0.38,0.73,1.0,0.7571276814474677,0.6826982386402577,0.612877801384415,0.6416969364676856,0.6736001644849565
EOS-2-27349,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)nc4)n23)cn1,OBSCLIXLMSWEAU-UHFFFAOYSA-N,2,1,0.518,27,700,431.406,4.16,5,0.399,0.73,1.0,0.8526574600781304,0.7256956342951134,0.7368155027071482,0.6503580974573367,0.7413816736344322
EOS-2-27350,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)ccn2)cn1,JCMJQQVUGQUUJR-UHFFFAOYSA-N,2,1,0.512,59,577,431.406,3.809,5,0.418,0.76,1.0,0.8410235761770954,0.7257042012199301,0.7964155986567062,0.7425896100335824,0.7764332465218285
EOS-2-27351,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4F)n23)cn1,OABOMSOSFLTSQY-UHFFFAOYSA-N,2,1,0.583,35,215,431.406,3.543,5,0.38,0.71,1.0,0.9065091494757042,0.9192224659036392,0.7941367966554725,0.7706634226578027,0.8476329586731547
EOS-2-27352,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)cn2)n1,LVMPISQNFUMWRM-UHFFFAOYSA-N,2,1,0.494,55,109,431.406,3.809,5,0.418,0.68,1.0,0.8266825440339935,0.7873774929751216,0.7469844424645329,0.710463641971078,0.7678770303611815
EOS-2-27353,Cc1cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1-c1ccnnc1,ITZTVUIMIHMTFB-UHFFFAOYSA-N,2,1,0.489,16,202,431.406,3.809,5,0.418,0.65,1.0,0.6878383935302583,0.619945514358166,0.7899904050442054,0.7501627715715167,0.7119842711260367
EOS-2-27354,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)nn2)cc1,LDMHEXYAJIQPLZ-UHFFFAOYSA-N,2,1,0.478,19,691,431.406,3.543,5,0.406,0.68,0.931,0.8213110821739429,0.7786563635117538,0.597662942910013,0.6474539099444864,0.711271074635049
EOS-2-27355,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c1,LXMKBKRXKDXTQB-UHFFFAOYSA-N,2,1,0.5,2,904,431.406,3.543,5,0.406,0.63,1.0,0.8084007264752244,0.7350335823452814,0.7492289767664999,0.7449797820574326,0.7594107669111096
EOS-2-27356,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cn4)n23)cn1,WJIHLQPKEJAFMW-UHFFFAOYSA-N,2,1,0.578,27,69,431.406,4.16,5,0.399,0.71,1.0,0.6569546295661709,0.6680487972037558,0.7816033856486876,0.685294016859708,0.6979752073195806
EOS-2-27357,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cn1,NZHZEBNXVJZZMM-UHFFFAOYSA-N,2,1,0.537,35,76,431.406,3.543,5,0.38,0.75,1.0,0.9235915975601399,0.9133883901034885,0.7264323898293469,0.6908282502912755,0.8135601569460627
EOS-2-27358,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nc4)n23)nn1,VXYRXNGFRJDMMA-UHFFFAOYSA-N,2,1,0.483,4,534,431.406,3.809,5,0.418,0.65,1.0,0.7027876773353438,0.7444486327187992,0.7159036392296622,0.687898362003975,0.712759577821945
EOS-2-27359,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)cn1,XXTZKGOZTLSMAF-UHFFFAOYSA-N,2,1,0.489,87,173,431.406,3.543,5,0.38,0.64,1.0,0.7425553423343156,0.7662600233020355,0.6953944212185594,0.6823641285724077,0.7216434788568296
EOS-2-27360,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cn4)n23)c(F)c1,YHDDCYQWRAQGAE-UHFFFAOYSA-N,2,1,0.511,44,130,431.406,3.543,5,0.406,0.7,1.0,0.8084092934000411,0.7917808923308889,0.7469930093893496,0.7264066890548968,0.7683974710437942
EOS-2-27361,FCc1cncc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4F)n23)c1,MWTAEENWFMWLGX-UHFFFAOYSA-N,2,1,0.482,16,202,431.406,3.831,5,0.404,0.65,1.0,0.7393427455280652,0.7257127681447467,0.8313429511342608,0.7894249880063052,0.7714558632033445
EOS-2-27362,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)n1,FCYBAOHCDGFOGJ-UHFFFAOYSA-N,2,1,0.523,37,215,431.406,3.543,5,0.38,0.68,1.0,0.9016431361798369,0.8881673634432184,0.7343653622095813,0.7237081077376465,0.8119709923925709
EOS-2-27363,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)c1F,SNTMVIPXUXCPGG-UHFFFAOYSA-N,2,1,0.575,35,202,431.406,3.543,5,0.406,0.59,1.0,0.9366475909807416,0.9133969570283051,0.8131039681995751,0.7916181207593722,0.8636916592419985
EOS-2-27364,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)nc1,DMYFKGFLMKFORM-UHFFFAOYSA-N,2,1,0.57,84,429,431.406,3.543,5,0.406,0.71,1.0,0.9181344664519224,0.9094647385374546,0.6737458022068399,0.6703447330546227,0.7929224350627099
EOS-2-27365,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)nn1,XLOQYUOCYUHNHX-UHFFFAOYSA-N,2,1,0.507,9,121,431.406,4.22,5,0.411,0.79,1.0,0.5081899801247344,0.615430744979782,0.8345983825645946,0.7985487629360565,0.6891919676512919
EOS-2-27366,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cn2)cn1,VKSXNZWXDRPWQB-UHFFFAOYSA-N,2,1,0.5,59,282,431.406,3.809,5,0.418,0.77,1.0,0.868163593996299,0.819477760263176,0.7941453635802892,0.7289681995750805,0.8026887293537112
EOS-2-27367,Fc1ccc(F)c(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ncn2)c1,KIYMRIBNKUSPFU-UHFFFAOYSA-N,2,1,0.5,44,130,431.406,3.543,5,0.406,0.79,0.999,0.7213350695634295,0.6009012404907135,0.7264409567541635,0.734605236104448,0.6958206257281887
EOS-2-27368,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2F)cn1,DKDHLTAVSWMNJP-UHFFFAOYSA-N,2,1,0.571,35,215,431.406,3.543,5,0.38,0.69,1.0,0.95040607223631,0.9114008635460216,0.7860838873278048,0.7728908231101363,0.8551954115550682
EOS-2-27369,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)cn1,QEJZQMCPTBQNBL-UHFFFAOYSA-N,2,1,0.568,72,628,431.406,3.543,5,0.38,0.72,1.0,0.9065177164005209,0.8606761017065314,0.6954029881433761,0.673197519018573,0.7839485813172504
EOS-2-27370,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cn1,ZWQWZSJVCXEGAY-UHFFFAOYSA-N,2,1,0.419,46,181,431.406,3.809,5,0.418,0.69,1.0,0.6569631964909876,0.5710455075046261,0.7582670824480844,0.7075423206085943,0.6734545267630732
EOS-2-27371,FCc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccccc5F)n34)cn2)cn1,NAHYBKWLEBTHPC-UHFFFAOYSA-N,2,1,0.494,55,109,431.406,3.831,5,0.404,0.79,1.0,0.8186210677815091,0.7786649304365705,0.6399235830306353,0.6182835309437325,0.7138732780481118
EOS-2-27372,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cn2)cn1,VMSOXAZENGRXEI-UHFFFAOYSA-N,2,1,0.531,55,16,431.406,3.809,5,0.418,0.71,1.0,0.8239496950174765,0.7832311013638544,0.7745785072990199,0.7212151326159961,0.7757436090740868
EOS-2-27373,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)cc1F,CACHUYBHQHWZHQ-UHFFFAOYSA-N,2,1,0.695,84,360,431.406,3.543,5,0.406,0.73,1.0,0.9344030566787745,0.9210386539647728,0.7724282091700363,0.7372781166472483,0.841287009115208
EOS-2-27374,CCc1nc(-c2nnc3cncc(Oc4cncc(F)c4)n23)ccc1-c1ccc(F)nc1,OTQJRCDISFIFCT-UHFFFAOYSA-N,2,1,0.34,13,717,431.406,4.276,5,0.384,0.58,0.998,0.6393324652182852,0.6485333424713865,0.639932149955452,0.6212733877047495,0.6372678363374683
EOS-2-27375,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nc4)n23)cc1,FPOBULMTYYEZHN-UHFFFAOYSA-N,2,1,0.531,27,343,431.406,4.16,5,0.399,0.76,1.0,0.9395946131176752,0.7703807141388527,0.8276420396134604,0.7630902611198684,0.8251769069974642
EOS-2-27376,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)nc1,IVWJBQIMYYLKFK-UHFFFAOYSA-N,2,1,0.617,84,491,431.406,3.543,5,0.406,0.72,1.0,0.8504214927009801,0.757478925364951,0.6573829758070043,0.6645963265026387,0.7324699300938935
EOS-2-27377,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccncn5)n34)c2)cc1F,OHFSVBAGHPASCR-UHFFFAOYSA-N,2,1,0.511,87,307,431.406,3.543,5,0.406,0.73,1.0,0.7888681378932219,0.7487749297512165,0.769960934822836,0.7630988280446851,0.7676757076279899
EOS-2-27378,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c1,GQDXDXWUZOEJDV-UHFFFAOYSA-N,2,1,0.568,84,524,431.406,3.543,5,0.406,0.65,1.0,0.852666027002947,0.8881759303680351,0.7391799739565486,0.7184822835994791,0.7996260537317523
EOS-2-27379,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nc4)n23)cc1,JBVHNLIPWHYYMM-UHFFFAOYSA-N,2,1,0.582,89,805,431.406,4.16,5,0.399,0.78,1.0,0.927378178329107,0.6827068055650743,0.8673497361387157,0.7985573298608731,0.8189980124734425
EOS-2-27380,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)nc1,UCDLNNGPOWPRBA-UHFFFAOYSA-N,2,1,0.688,84,491,431.406,3.543,5,0.406,0.77,1.0,0.8363888698512781,0.7531183606332671,0.657391542731821,0.6616835720649715,0.7271455863203344
EOS-2-27381,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cc1F,NHLRKLNIRQLHPB-UHFFFAOYSA-N,2,1,0.617,54,691,431.406,3.543,5,0.406,0.81,0.999,0.845598314029196,0.7786734973613871,0.7081077376464944,0.7158008361318621,0.7620450962922349
EOS-2-27382,Fc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cncnc1,RHWMIDVIQAFILK-UHFFFAOYSA-N,2,1,0.534,37,215,431.406,3.543,5,0.406,0.7,1.0,0.8726869302994997,0.8720529778630662,0.7215149749845795,0.7237166746624631,0.7974928894524023
EOS-2-27383,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cc1F,LQKVSGSTNFHQNI-UHFFFAOYSA-N,2,1,0.452,18,367,431.406,3.543,5,0.406,0.71,1.0,0.6788516893975739,0.6877355904324584,0.6954115550681927,0.6823726954972243,0.6860928825988624
EOS-2-27384,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)nc5)c4)n23)c1F,RAILANNUOTVCRZ-UHFFFAOYSA-N,2,1,0.444,2,419,431.406,3.809,5,0.391,0.65,1.0,0.7571362483722843,0.6728976766499897,0.8110993077924749,0.747652662600233,0.7471964738537454
EOS-2-27385,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c(F)c1,ZMMAUDWYSVPPDS-UHFFFAOYSA-N,2,1,0.506,35,215,431.406,3.543,5,0.406,0.72,1.0,0.9195822767459393,0.8881844972928518,0.7057089986978274,0.7020594887259269,0.8038838153656364
EOS-2-27386,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)n1,IXSNNGHYNBKDGC-UHFFFAOYSA-N,2,1,0.477,44,531,431.406,3.809,5,0.418,0.75,1.0,0.7745356726749366,0.5915718593653622,0.6708673154684395,0.6732060859433897,0.6775452333630321
EOS-2-27387,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)c1,OOIJOZRVBGAEGX-UHFFFAOYSA-N,2,1,0.533,75,525,431.406,3.543,5,0.38,0.66,1.0,0.8239582619422932,0.8194863271879926,0.6844544582276746,0.6732146528682065,0.7502784250565417
EOS-2-27388,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)cn1,DPSCNTOBNOTXEB-UHFFFAOYSA-N,2,1,0.553,19,691,431.406,3.543,5,0.38,0.74,1.0,0.8569494894112809,0.7574874922897676,0.6366595846754849,0.6732232197930231,0.7310799465423891
EOS-2-27389,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)c1,CQSMUOKTNHFQBU-UHFFFAOYSA-N,2,1,0.467,18,773,431.406,3.543,5,0.38,0.69,1.0,0.8435165512987458,0.7574960592145843,0.6009612089644302,0.6061527654033309,0.7020316462202727
EOS-2-27390,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cc2)n1,BAYHBMPCBDIKIX-UHFFFAOYSA-N,2,1,0.5,16,19,431.406,3.809,5,0.418,0.63,1.0,0.9095418408608046,0.7487834966760332,0.7838222191762045,0.7264152559797136,0.792140703173189
EOS-2-27391,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5cc(F)cnc5F)c4)n23)ccn1,ACAQTQASSVUFNE-UHFFFAOYSA-N,2,1,0.477,75,183,431.406,3.809,5,0.391,0.71,1.0,0.7832396682886711,0.6199540812829827,0.7654375985196354,0.6908368172160921,0.7148670413268453
EOS-2-27392,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)c1,MCPLAINCSVEABM-UHFFFAOYSA-N,2,1,0.495,87,278,431.406,3.543,5,0.38,0.67,0.999,0.7745442395997533,0.8692258926735659,0.6791857994654239,0.6703532999794394,0.7483273079295456
EOS-2-27393,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)c(F)c2)cn1,LBDPJQOVHMPILN-UHFFFAOYSA-N,2,1,0.494,16,716,431.406,3.809,5,0.418,0.68,1.0,0.8934445891302858,0.8194948941128093,0.7987972037557398,0.7476612295250497,0.814849479130971
EOS-2-27394,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)c1,SZAJVRRZJAHUDC-UHFFFAOYSA-N,2,1,0.511,35,76,431.406,3.543,5,0.38,0.72,1.0,0.8705194983208827,0.880208690288534,0.7264495236789802,0.707550887533411,0.796182149955452
EOS-2-27395,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)c(F)c4)n23)nn1,YETOURRKQAJZHX-UHFFFAOYSA-N,2,1,0.518,4,799,431.406,3.809,5,0.418,0.71,1.0,0.7027962442601604,0.7165718593653622,0.6899030224110754,0.667346309368789,0.6941543588513467
EOS-2-27396,OCc1ccc(-c2nnc3cncc(Oc4ncc(-c5ccc(F)cc5)cc4F)n23)cc1,IFTWLUOHGDAGLX-UHFFFAOYSA-N,2,1,0.474,57,417,431.402,4.416,5,0.444,0.82,1.0,0.9469621684600096,0.8982335001028031,0.9333493249263245,0.9158042629017887,0.9235873140977315
EOS-2-27397,FOc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1ccc(F)cc1,YEGNIKDFIKNTRG-UHFFFAOYSA-N,2,1,0.671,1,461,431.402,4.835,5,0.383,0.75,1.0,0.8239668288671098,0.837733877047495,0.8995099719004866,0.8763278733465835,0.8593846377904186
EOS-2-27398,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ccncc1,QJIMPQRNTGLESX-UHFFFAOYSA-N,2,1,0.524,13,209,431.402,4.932,5,0.393,0.77,1.0,0.8705280652456994,0.7917894592557055,0.9389349599067919,0.9057638270166541,0.8767540778562127
EOS-2-27399,COc1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1ccccc1,NFGLMCUXDWNPES-UHFFFAOYSA-N,2,1,0.536,57,480,431.402,4.932,5,0.393,0.74,1.0,0.8805770680556507,0.7073367144129943,0.8600764169693647,0.8316599273524775,0.8199125316976218
EOS-2-27400,OCc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2)cn1,NTIXSAZIQIXFBV-UHFFFAOYSA-N,2,1,0.512,57,913,431.402,4.416,5,0.444,0.8,1.0,0.8898379137824687,0.8543023096429305,0.9375299842368583,0.920053457610856,0.9004309163182784
EOS-2-27401,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)cc1,SSBZLVQUWRPDCG-UHFFFAOYSA-N,2,1,0.714,79,528,431.402,5.247,5,0.366,0.85,1.0,0.9593413748200946,0.8881930642176684,0.9381725035981084,0.9158128298266054,0.9253799431156192
EOS-2-27402,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2)cc1,PGIRWSPJNYYWQW-UHFFFAOYSA-N,2,1,0.537,1,80,431.402,4.416,5,0.444,0.68,1.0,0.8786752107463505,0.8482283599479131,0.9234288259886231,0.9067918579946542,0.8892810636693852
EOS-2-27403,Fc1cccc(F)c1COc1cncc2nnc(-c3ccc(Oc4ccccn4)cc3)n12,ITVAZGUZLSIRHP-UHFFFAOYSA-N,2,1,0.581,57,881,431.402,4.836,5,0.383,0.73,1.0,0.9619285861147283,0.9114094304708382,0.9128572407648551,0.8833698855458845,0.9173912857240765
EOS-2-27404,Fc1cccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)nc4)n23)c1F,WOZPYTLUIQZRLB-UHFFFAOYSA-N,2,1,0.495,79,881,431.402,4.836,5,0.383,0.76,1.0,0.9000411212391201,0.8573264341032143,0.9110324857789048,0.884877664313618,0.8883194263587142
EOS-2-27405,COc1ccccc1Oc1cncc2nnc(-c3ccc(-c4cncc(F)c4)cc3F)n12,YEMMOXFPMWGJDY-UHFFFAOYSA-N,2,1,0.46,13,15,431.402,4.932,5,0.393,0.78,1.0,0.9167037900075389,0.8606846686313481,0.9204047015283394,0.8848862312384347,0.8956698478514153
EOS-2-27406,Fc1cccc(COc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)c1F,HFBMYLSNYDOMHQ-UHFFFAOYSA-N,2,1,0.557,57,881,431.402,4.836,5,0.383,0.74,1.0,0.9625968062504283,0.9210472208895895,0.9242169830717566,0.8916027002947022,0.9248659276266191
EOS-2-27407,COc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccc(F)cc5)c4)n23)cc1F,AJVQXDDHQRTMNN-UHFFFAOYSA-N,2,1,0.53,13,15,431.402,4.932,5,0.393,0.8,1.0,0.80018504557604,0.7917980261805222,0.9409396203138921,0.9178945925570557,0.8627043211568776
EOS-2-27408,COc1cccc(Oc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)c1,DTKVZUWECNOTGQ-UHFFFAOYSA-N,2,1,0.512,13,137,431.402,4.932,5,0.393,0.75,1.0,0.7945223082722226,0.7786820642862038,0.9436639024055925,0.9179031594818724,0.8586928586114728
EOS-2-27409,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(C#N)n[nH]4)n23)cc1F,PORSTBWRSOGDFQ-UHFFFAOYSA-N,2,1,0.479,36,447,431.395,1.337,5,0.42,0.64,1.0,0.6569717634158042,0.682715372489891,0.1546158590912206,0.18369200191899115,0.41949874922897673
EOS-2-27410,Fc1cc(-c2nnc3cncc(OCCOc4ncccn4)n23)ccc1-c1ncncn1,MGDSORBJYDGTPK-UHFFFAOYSA-N,2,1,0.489,75,325,431.391,2.03,5,0.353,0.58,1.0,0.9065262833253376,0.6582396682886711,0.2321979302309643,0.17527928174902338,0.4930607908984991
EOS-2-27411,COc1nc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1ncc(F)cn1,QGHJBVFHCBEZSG-UHFFFAOYSA-N,2,1,0.415,46,896,431.391,2.16,5,0.395,0.64,0.999,0.5737612226715099,0.4707525186758961,0.11642450825851552,0.08217394284147762,0.3107780481118498
EOS-2-27412,O=c1ncc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ccc2F)n[nH]1,CMHQGIDDXBKULR-UHFFFAOYSA-N,2,1,0.522,26,361,431.391,1.487,5,0.424,0.65,0.995,0.7028048111849771,0.5385854293742718,0.29764923583030634,0.2977777397025564,0.4592043040230279
EOS-2-27413,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)nn2)cn1,DBTIVDCJOADURM-UHFFFAOYSA-N,2,1,0.424,53,670,431.391,2.16,5,0.369,0.68,1.0,0.49557089986978275,0.38953807141388525,0.17397710917688985,0.12400623672126654,0.29577307929545604
EOS-2-27414,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)ncn2)cn1,XKJLVSZPFCFUHT-UHFFFAOYSA-N,2,1,0.376,46,113,431.391,1.644,5,0.395,0.6,0.99,0.5181961483106025,0.4311733260228908,0.2902731135631554,0.24115036666438217,0.3701982386402577
EOS-2-27415,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)n1,DBKIELGVNODOEA-UHFFFAOYSA-N,2,1,0.407,51,434,431.391,2.16,5,0.369,0.66,1.0,0.6966708930162429,0.7025906380645603,0.21110616133232815,0.12607086560208347,0.4341096395038037
EOS-2-27416,Cc1ncc(-c2ncc(-c3cncc4nnc(-c5cc([N+](=O)[O-])ccc5F)n34)cn2)n1C,IYBRXELOOWBHNR-UHFFFAOYSA-N,2,1,0.353,50,489,431.391,3.005,5,0.314,0.69,1.0,0.2465389623740662,0.14269069974641901,0.18350352957302446,0.087502570077445,0.16505894044273867
EOS-2-27417,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)nn2)cn1,LSYMBHGEHHUBEK-UHFFFAOYSA-N,2,1,0.461,53,670,431.391,2.16,5,0.395,0.67,0.999,0.4758669727914468,0.4222294565142896,0.19345829620999247,0.13914399287231854,0.3076746795970119
EOS-2-27418,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(-c5cc[nH]n5)c(F)c4)n23)cc1,PEIHBZACKXVZRH-UHFFFAOYSA-N,2,1,0.571,43,230,431.387,3.808,5,0.32,0.66,1.0,0.9655780960866287,0.6386299773833185,0.6819272154067576,0.4657151668836954,0.6879626139401
EOS-2-27419,Cn1ncc(-c2cncc3nnc(-c4ccc(C#N)cc4F)n23)c1-c1ccc(F)c(F)c1,UATUZBVDHOPHCL-UHFFFAOYSA-N,2,1,0.418,45,102,431.381,4.148,5,0.429,0.76,1.0,0.23571893633061478,0.4979268041943664,0.9554434240285107,0.9618257830169282,0.662728736892605
EOS-2-27420,N#Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccncc5F)n4)n23)c(F)c1,BMKPWMDAGOEPMT-UHFFFAOYSA-N,2,1,0.446,73,975,431.366,2.496,5,0.416,0.65,1.0,0.40811973134123775,0.4930779247481324,0.6040795695976973,0.6297632101980672,0.5337601089712837
EOS-2-27421,N#Cc1cc(F)cc(-c2nnc3cncc(OCc4nnnn4-c4cccc(F)c4)n23)c1,CPRMKCHLFGCMMJ-UHFFFAOYSA-N,2,1,0.452,34,612,431.366,2.496,5,0.416,0.71,1.0,0.4981838119388664,0.5204578164622027,0.5421578370228223,0.6558751970392708,0.5541686656157905
EOS-2-27422,N#Cc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(F)c(F)c5)n4)n23)cc1,RHOVFPKADAWEAL-UHFFFAOYSA-N,2,1,0.583,43,210,431.362,3.57,5,0.415,0.73,1.0,0.9065348502501542,0.819503461037626,0.7816119525735042,0.7916266876841889,0.8248192378863684
EOS-2-27423,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)c(Cl)c1,GSAIOWKVBKNIKK-UHFFFAOYSA-N,2,1,0.393,22,140,431.333,5.345,5,0.386,0.73,0.993,0.1249485984511,0.41314851620862175,0.6543331505722706,0.8356863820163114,0.5070291618120759
EOS-2-27424,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cc(Cl)ccc5Cl)cc4)n23)cc1,LFSFPAWCKAKAMI-UHFFFAOYSA-N,2,1,0.384,83,472,431.326,6.741,5,0.318,0.9,1.0,0.3634003837982318,0.6386385443081352,0.9757042012199301,0.9882119114522651,0.7414887601946405
EOS-2-27425,CCCOc1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)n1,JIJAMDYNZMDZDH-UHFFFAOYSA-N,2,1,0.575,90,555,431.283,4.256,4,0.432,0.7,1.0,0.6878469604550751,0.8692344595983825,0.4764323898293469,0.5365122335686382,0.6425065108628607
EOS-2-27426,Fc1c(Cl)sc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c1Cl,XAGGIKHEQPLBLX-UHFFFAOYSA-N,2,1,0.377,96,140,431.279,6.226,5,0.34,0.68,1.0,0.36340895072304846,0.5621273387704749,0.9355081899801247,0.9625882393256117,0.7059081796998149
EOS-2-27427,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)s5)o4)n23)c(Cl)c1,LTMPPWNCWOZONT-UHFFFAOYSA-N,2,1,0.398,45,140,431.279,6.226,5,0.34,0.7,0.997,0.3542423411692139,0.6199626482077993,0.9442378863683092,0.9736310054142965,0.7230184702899047
EOS-2-27428,Clc1ccc(Oc2ccc(Cl)nc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,CIMCLLIAVBNZNJ-UHFFFAOYSA-N,2,1,0.443,83,533,468.731,6.606,5,0.278,0.79,1.0,0.5339764238229046,0.8078781440614077,0.9449061065040093,0.9774432869577137,0.8160509903365087
EOS-2-27431,Fc1ccc(CCOc2cncc3nnc(-c4cccc(Br)c4)n23)cc1F,XRMHBSXIAMTRIE-UHFFFAOYSA-N,2,1,0.864,23,86,431.24,4.454,4,0.469,0.8,1.0,0.9697073538482627,0.9826519772462476,0.9478188609416763,0.9519481187033103,0.9630315776848744
EOS-2-27432,Fc1cnc2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2c1,QWYXWXSXDUONIO-UHFFFAOYSA-N,2,1,0.524,73,446,431.218,3.254,5,0.431,0.63,1.0,0.6848142690699747,0.8116647248303749,0.4083767390857378,0.6762387773284901,0.6452736275786444
EOS-2-27433,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2F)n[nH]1,TUPYOHBIGWXMDP-UHFFFAOYSA-N,2,1,0.421,73,379,468.811,2.842,5,0.39,0.62,1.0,0.8001936125008567,0.6973819477760264,0.6160818312658488,0.6586680145295045,0.6930813515180592
EOS-2-27434,FC(F)c1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4cncnn4)nn3)n12,FRTGCQAPWKOMHX-UHFFFAOYSA-N,2,1,0.483,53,404,468.815,2.998,5,0.366,0.58,1.0,0.7182252758549791,0.8802172572133506,0.5217171544102529,0.5693064217668425,0.6723665273113563
EOS-2-27435,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2F)cn1,MXFSCZLXKHVIDB-UHFFFAOYSA-N,2,1,0.512,59,526,468.826,4.898,5,0.341,0.64,1.0,0.8860856007127681,0.92474813241039,0.9534130628469605,0.9601723665273113,0.9311047906243575
EOS-2-27436,Fc1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cnc1F,KJAXVWQHOBHPGR-UHFFFAOYSA-N,2,1,0.535,34,929,468.826,4.898,5,0.341,0.73,1.0,0.9385751490644918,0.9805188129668974,0.9389435268316085,0.9485727503255431,0.9516525597971351
EOS-2-27437,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)cc1F,XTKACJJYPUMBNE-UHFFFAOYSA-N,2,1,0.541,34,929,468.826,4.898,5,0.365,0.66,1.0,0.9016517031046536,0.9748046741141799,0.9527705434857103,0.9631536563635118,0.9480951442670139
EOS-2-27438,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2)cnc1F,KTNXDXCDSPWVEQ-UHFFFAOYSA-N,2,1,0.512,59,526,468.826,4.898,5,0.341,0.72,1.0,0.9140737440888219,0.9360222054691248,0.9515283393872935,0.9551949832088273,0.939204818038517
EOS-2-27439,Fc1ccc(COc2ccnc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cc1F,VHWTYGYNLXLWGB-UHFFFAOYSA-N,2,1,0.524,45,13,468.826,4.898,5,0.365,0.73,0.973,0.8314371873072441,0.9498577890480433,0.9455828935645261,0.9558289356452607,0.9206767013912686
EOS-2-27440,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)ccn4)n23)c(F)c1F,IRFJKWTUMIPCJD-UHFFFAOYSA-N,2,1,0.433,59,692,468.826,4.898,5,0.341,0.72,1.0,0.7916952230827222,0.795387567678706,0.9602494688506613,0.9625968062504283,0.8774822664656294
EOS-2-27441,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)c(F)c4)n23)c(F)c1,HAMRGIVHERAUHF-UHFFFAOYSA-N,2,1,0.512,59,526,468.826,4.898,5,0.341,0.69,1.0,0.8953121787403193,0.9247566993352067,0.952779110410527,0.9601809334521281,0.9332572304845452
EOS-2-27442,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5cc(F)c(Cl)cc5F)n34)cn2)c1,HTLFHBCFOYUYJP-UHFFFAOYSA-N,2,1,0.506,59,13,468.826,4.898,5,0.341,0.78,1.0,0.870536632170516,0.9587930916318278,0.947262010828593,0.9582790761428278,0.9337177026934411
EOS-2-27443,Fc1ccc(-c2nc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)ccc2F)nc1,VLSWOAKFLGZYGW-UHFFFAOYSA-N,2,1,0.512,34,671,468.826,4.898,5,0.365,0.7,1.0,0.8002021794256734,0.87482009457885,0.9040504420533205,0.9294770749091906,0.8771374477417586
EOS-2-27444,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(Cl)c5)nc4)n23)c1F,WZTWHQATJOWSLD-UHFFFAOYSA-N,2,1,0.483,59,109,468.826,4.898,5,0.341,0.76,0.899,0.9209615516414228,0.9518881502295936,0.9655438283873621,0.9663148516208622,0.9511770954698102
EOS-2-27445,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)c2)cc1F,IMWPZBZEYJCOOY-UHFFFAOYSA-N,2,1,0.461,59,153,468.826,4.898,5,0.365,0.71,1.0,0.6878555273798918,0.7997395654855733,0.9602580357754781,0.966811733260229,0.853666215475293
EOS-2-27446,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)c(F)c5)nc4)n23)cc1F,GACOXBULSABDOW-UHFFFAOYSA-N,2,1,0.633,59,294,468.826,4.898,5,0.341,0.74,0.999,0.9532845589747104,0.9678483311630457,0.967557055719279,0.9683023781783291,0.964248081008841
EOS-2-27447,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cc2F)c1,MRHMYOXPBQVJCR-UHFFFAOYSA-N,2,1,0.524,59,89,468.826,4.898,5,0.341,0.68,1.0,0.9701271331642793,0.9476817901446097,0.9680111027345624,0.9707867863751628,0.9641517031046536
EOS-2-27448,Fc1cccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2F)c1,VETRNUQVRDTHFE-UHFFFAOYSA-N,2,1,0.535,34,146,468.826,4.898,5,0.365,0.73,1.0,0.8953207456651361,0.9614659721746281,0.922477897333973,0.9506116784319101,0.9324690734014118
EOS-2-27449,Fc1cc(-c2cncc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)cnc1Cl,SKLWFKREMQFFDY-UHFFFAOYSA-N,2,1,0.465,59,884,468.826,4.898,5,0.341,0.7,1.0,0.8843893495990679,0.8909002124597355,0.9684308820505791,0.9721146597217463,0.9289587759577822
EOS-2-27450,Fc1ccc(Cl)nc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,RHYFQMAUSVWWSF-UHFFFAOYSA-N,2,1,0.488,96,121,468.826,5.309,5,0.325,0.8,0.996,0.6817987115345076,0.9313532314440408,0.9651411829209787,0.9663234185456788,0.8861541361113014
EOS-2-27451,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)c(F)c1F,KSXOJCSHOAMGAY-UHFFFAOYSA-N,2,1,0.5,34,146,468.826,4.898,5,0.341,0.72,1.0,0.8638801315879652,0.8854773490507847,0.968019669659379,0.9753358234528133,0.9231782434377356
EOS-2-27452,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)nc4)n23)c(F)c1,UFRWCRANAGIBIU-UHFFFAOYSA-N,2,1,0.472,59,526,468.826,4.898,5,0.365,0.75,1.0,0.8660218627921321,0.9360307723939415,0.9472705777534096,0.9565228565554109,0.9264615173737236
EOS-2-27453,Fc1cnc(-c2ccc(Cl)cn2)c(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1,FSBGGXTYXPAGGC-UHFFFAOYSA-N,2,1,0.595,59,13,468.826,4.898,5,0.365,0.67,1.0,0.9797220889589473,0.9773747515591803,0.9395860461928586,0.952547803440477,0.9623076725378658
EOS-2-27454,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cc(F)cnc5F)c(Cl)c4)n23)c1,UORAHRHLTOFMMM-UHFFFAOYSA-N,2,1,0.524,59,89,468.826,4.898,5,0.341,0.66,1.0,0.9686707559454458,0.9487526557466932,0.9651497498457954,0.9678311973134124,0.9626010897128368
EOS-2-27455,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)nn4)n23)cc1F,NBGGKXPHMGOZTB-UHFFFAOYSA-N,2,1,0.618,59,13,468.826,4.898,5,0.365,0.76,0.999,0.9311904598725241,0.9360393393187582,0.9623912000548284,0.9715749434582962,0.9502989856761017
EOS-2-27456,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCc5c(F)cc(Cl)cc5F)n34)c2)c1,FRINFBUZMUDPCW-UHFFFAOYSA-N,2,1,0.46,59,577,468.826,4.898,5,0.365,0.59,1.0,0.8338359262559112,0.882710232335001,0.9613203344527449,0.9673428825988624,0.9113023439106298
EOS-2-27457,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)c2)cc1F,KEQGNKNYZMPIOT-UHFFFAOYSA-N,2,1,0.529,59,469,468.826,4.898,5,0.365,0.67,1.0,0.7803354807758207,0.8660818312658488,0.9576965252552944,0.9612603659790282,0.891343550818998
EOS-2-27458,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)c(F)c4)n23)cc1F,JOHUSFNMAGNEIP-UHFFFAOYSA-N,2,1,0.722,59,13,468.826,4.898,5,0.341,0.72,1.0,0.9890429031594818,0.9812041669522308,0.9736395723391131,0.9736395723391131,0.9793815536974848
EOS-2-27459,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)ccn2)cc1F,LHMFDKQASYORAG-UHFFFAOYSA-N,2,1,0.541,59,469,468.826,4.898,5,0.365,0.7,1.0,0.8526745939277637,0.9094733054622712,0.9637704749503119,0.967839764238229,0.923439534644644
EOS-2-27460,Fc1cc(-c2nc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)ccc2F)ccn1,DQTOXKQJKRYIHH-UHFFFAOYSA-N,2,1,0.512,34,671,468.826,4.898,5,0.341,0.63,1.0,0.7334487012541978,0.8692430265231992,0.9276266191487903,0.9425245014049757,0.8682107120827909
EOS-2-27461,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)c(Cl)c2)nn1,SBZWOFMWAJOGAH-UHFFFAOYSA-N,2,1,0.419,13,145,468.826,5.42,5,0.328,0.8,1.0,0.7745528065245699,0.9073572750325544,0.9607806181892947,0.9588359262559112,0.9003816565005826
EOS-2-27462,Fc1ccc(-c2nc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccc2F)nc1,HAYLIBLBEWORAQ-UHFFFAOYSA-N,2,1,0.562,59,13,468.826,4.898,5,0.365,0.74,1.0,0.9016602700294702,0.8960232335001028,0.9341289150846412,0.9493009389349599,0.9202783393872935
EOS-2-27463,Fc1cccc(-c2nc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)ncc2F)c1,BOWULYZZZUXOMZ-UHFFFAOYSA-N,2,1,0.461,34,671,468.826,4.898,5,0.365,0.75,1.0,0.8410321431019121,0.9247652662600233,0.8807227057775341,0.9232060859433897,0.8924315502707149
EOS-2-27464,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5cccc(F)c5F)n34)n2)cc1Cl,UPHNIJIHMSFFNK-UHFFFAOYSA-N,2,1,0.461,59,13,468.826,4.898,5,0.365,0.74,1.0,0.8239753957919266,0.9360479062435748,0.9520851895003769,0.962605373175245,0.9186784661777808
EOS-2-27465,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)c(F)c1F,MVAWUGNSBLMEED-UHFFFAOYSA-N,2,1,0.483,59,577,468.826,4.898,5,0.341,0.69,1.0,0.8786837776711671,0.907365841957371,0.9689877321636625,0.969827290795696,0.9312161606469741
EOS-2-27466,Fc1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cc1-c1cncnc1,YSDWIYZJPWNSQC-UHFFFAOYSA-N,2,1,0.542,59,607,468.826,4.898,5,0.341,0.67,1.0,0.961937153039545,0.9639503803714619,0.9770749091905969,0.9798934274552806,0.9707139675142211
EOS-2-27467,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)nn2)cc1F,ISQNTKLEALQIMH-UHFFFAOYSA-N,2,1,0.494,34,691,468.826,4.898,5,0.365,0.72,1.0,0.8805856349804674,0.917269207045439,0.9582790761428278,0.9707953532999795,0.9317323178671784
EOS-2-27468,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)ncc2F)cn1,AFMHQBVSXSKZMI-UHFFFAOYSA-N,2,1,0.523,34,71,468.826,4.898,5,0.341,0.71,1.0,0.8860941676375849,0.9657065999588788,0.9602666027002947,0.9652953875676787,0.9443406894661093
EOS-2-27469,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2F)cn1,GSPYXPJEAKGTMS-UHFFFAOYSA-N,2,1,0.722,59,13,468.826,4.898,5,0.341,0.72,1.0,0.9876122267150983,0.9800733328764307,0.9742478240010966,0.9745562332944966,0.9791224042217805
EOS-2-27470,Fc1ccc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)cc1-c1ccc(Cl)nn1,UVJNDFPXWSYGAL-UHFFFAOYSA-N,2,1,0.53,34,146,468.826,4.898,5,0.365,0.73,1.0,0.9632393256116785,0.9623654992803783,0.9571910766911109,0.9663319854704955,0.9622819717634159
EOS-2-27471,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)n5)c4)n23)cc1Cl,JZPKTVCHBPLQKO-UHFFFAOYSA-N,2,1,0.5,59,469,468.826,4.898,5,0.341,0.68,1.0,0.8056593105338907,0.9073744088821877,0.94968645055171,0.9525563703652937,0.9038191350832705
EOS-2-27472,Fc1cc(F)c(-c2nnc3cncc(OCc4ccc(-c5cnccc5F)cn4)n23)cc1Cl,YBVDXKNZZBUMCV-UHFFFAOYSA-N,2,1,0.573,59,71,468.826,4.898,5,0.341,0.74,1.0,0.8084178603248577,0.9283719416078404,0.9668802686587622,0.9698358577205126,0.9183764820779933
EOS-2-27473,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2F)ccc1F,CFIOXDBRNFRWSC-UHFFFAOYSA-N,2,1,0.398,13,145,468.826,5.42,5,0.328,0.74,1.0,0.7633215680899185,0.8446216846000959,0.9286803509012405,0.9339490096634911,0.8676431533136865
EOS-2-27474,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ncn2)ccc1Cl,RAPUPIICWCEZNQ-UHFFFAOYSA-N,2,1,0.456,44,488,468.826,4.898,5,0.365,0.72,0.918,0.8861027345624015,0.8982420670276198,0.966888835583579,0.9728599821807964,0.9310234048385991
EOS-2-27475,Fc1cc(-c2ccc(Cl)cc2)cnc1Oc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,WUNMQGDJTIFSLH-UHFFFAOYSA-N,2,1,0.435,13,417,468.826,5.771,5,0.326,0.8,1.0,0.8548420259063807,0.9429785484202591,0.9660321431019121,0.9595384140908779,0.9308477828798575
EOS-2-27476,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4cnc(F)c(F)c4)cn3)n12,IXUBEIGKCMYREJ-UHFFFAOYSA-N,2,1,0.573,34,71,468.826,4.898,5,0.341,0.68,1.0,0.9033650880679871,0.9648070728531286,0.9602751696251114,0.9626139401000616,0.9477653176615721
EOS-2-27477,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cc5F)n34)nn2)cc1,MYFWWJBYDTVOPF-UHFFFAOYSA-N,2,1,0.537,34,691,468.826,4.898,5,0.341,0.75,0.998,0.9167123569323555,0.9114179973956549,0.9565314234802276,0.9678483311630457,0.9381275272428209
EOS-2-27478,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ncn2)cc1F,NRWXLHIDGUIRAA-UHFFFAOYSA-N,2,1,0.455,44,488,468.826,4.898,5,0.365,0.7,0.993,0.8705451990953328,0.8776643136179837,0.9613289013775616,0.9708039202247961,0.9200855835789185
EOS-2-27479,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)cc1F,AFJHHHMEUPFNAW-UHFFFAOYSA-N,2,1,0.494,59,469,468.826,4.898,5,0.365,0.76,1.0,0.8186296347063258,0.9345144267013913,0.9617915153176616,0.9658779384552121,0.9202033787951477
EOS-2-27480,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)nc2)cc1F,WXGANENJDLUCBY-UHFFFAOYSA-N,2,1,0.444,59,469,468.826,4.898,5,0.365,0.74,1.0,0.7745613734493866,0.8635117538208484,0.959744020286478,0.9663405523953121,0.8910394249880063
EOS-2-27481,FC(F)(F)c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cc1,VNDTZIXCVYCFMB-UHFFFAOYSA-N,2,1,0.506,57,138,468.826,5.713,5,0.336,0.84,1.0,0.9637876087999452,0.9783856486875471,0.9893513124528819,0.9831745596600644,0.9786747824001096
EOS-2-27482,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)c(F)c1F,YNDVRBPFJRFGKG-UHFFFAOYSA-N,2,1,0.512,59,89,468.826,4.898,5,0.27,0.78,1.0,0.9288088547734905,0.9476903570694264,0.9668974025083956,0.964875608251662,0.9520680556507436
EOS-2-27483,Fc1cc(-c2cncnc2F)ccc1-c1nnc2cncc(OCc3c(F)cccc3Cl)n12,KLMDWTXJRSILLN-UHFFFAOYSA-N,2,1,0.471,59,332,468.826,4.898,5,0.341,0.73,1.0,0.9495408128298266,0.9551350147351106,0.9689962990884792,0.9736481392639298,0.9618300664793364
EOS-2-27484,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5cc(Cl)cnn5)c4)n23)c(F)c1F,GTWWRCIWYFJERI-UHFFFAOYSA-N,2,1,0.511,34,630,468.826,4.898,5,0.341,0.53,1.0,0.912600233020355,0.9360564731683915,0.9672143787266123,0.9698444246453293,0.946428877390172
EOS-2-27485,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5F)c4)n23)c(F)c1,UXPQGSSNZYZGCZ-UHFFFAOYSA-N,2,1,0.483,59,526,468.826,4.898,5,0.365,0.67,1.0,0.80021074635049,0.8909087793845522,0.9520937564251936,0.9637533411006785,0.9017416558152286
EOS-2-27486,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)cn4)n23)cc1Cl,FFBKEWYPIBMNOF-UHFFFAOYSA-N,2,1,0.58,59,13,468.826,4.898,5,0.341,0.73,0.999,0.944477760263176,0.9388835583578918,0.957705092180111,0.9595469810156946,0.9501533479542184
EOS-2-27487,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)cn4)n23)cc1F,PPUXIURFGBGGPW-UHFFFAOYSA-N,2,1,0.444,59,469,468.826,4.898,5,0.365,0.72,1.0,0.7745699403742032,0.869251593448016,0.9597525872112946,0.9658865053800287,0.8923651566033857
EOS-2-27488,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)c(F)c1,KTQSSLWJTZYTHH-UHFFFAOYSA-N,2,1,0.612,44,488,468.826,4.898,5,0.365,0.71,0.982,0.9311990267973408,0.9114265643204715,0.964721403604962,0.9724659036392297,0.944953224590501
EOS-2-27489,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)c(Cl)n5)cn4)n23)c(F)c1,PRGDPRIJUOCTMI-UHFFFAOYSA-N,2,1,0.548,34,146,468.826,4.898,5,0.341,0.72,1.0,0.9065434171749709,0.9518967171544103,0.9461568775272429,0.951956685628127,0.9391384243711878
EOS-2-27490,FC(F)(F)Oc1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)c1,HAUHYOXIGKGFBQ-UHFFFAOYSA-N,2,1,0.405,96,121,468.826,5.467,5,0.326,0.87,1.0,0.5939534644643959,0.8482369268727298,0.9874580220683983,0.9814697416215475,0.8527795387567678
EOS-2-27491,Fc1cc(F)c(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1F,YWWREHCYIYKIII-UHFFFAOYSA-N,2,1,0.561,34,929,468.826,4.898,5,0.341,0.68,1.0,0.9532931258995271,0.9823178671783976,0.9534216297717771,0.9643530258378452,0.9633464121718868
EOS-2-27492,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5cc(OC(F)F)ccc5Cl)n34)nc2)c1,JFLHZYKCPVWJQF-UHFFFAOYSA-N,2,1,0.36,96,315,468.826,5.309,5,0.348,0.74,0.999,0.5442138989788226,0.8412548831471455,0.971763415804263,0.9765351929271469,0.8334418477143445
EOS-2-27493,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cc1F,OOJDIDYFZMXLHG-UHFFFAOYSA-N,2,1,0.461,59,153,468.826,4.898,5,0.341,0.69,1.0,0.8526831608525803,0.8344013432938112,0.9637790418751285,0.967351449523679,0.9045537488862998
EOS-2-27494,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)c2)cc1F,HUILOZWTUFQNQK-UHFFFAOYSA-N,2,1,0.494,59,469,468.826,4.898,5,0.365,0.71,1.0,0.7745785072990199,0.8960318004249195,0.9693475430059626,0.9736567061887464,0.903403639229662
EOS-2-27495,Fc1ccc(F)c(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1F,KZKSCAJCUSZQAB-UHFFFAOYSA-N,2,1,0.575,34,929,468.826,4.898,5,0.341,0.73,1.0,0.9725001713384963,0.9854447947364814,0.9294428072099239,0.9440408470975259,0.9578571550956068
EOS-2-27496,Fc1cc(Oc2ccccc2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nnc1Cl,BZPPMIIMGXQWAM-UHFFFAOYSA-N,2,1,0.351,96,831,468.826,5.771,5,0.326,0.73,1.0,0.7334572681790145,0.8882016311424851,0.967222945651429,0.9643615927626619,0.8883108594338976
EOS-2-27497,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cn2)cc1F,RZCBWQWKCANFCJ-UHFFFAOYSA-N,2,1,0.494,59,469,468.826,4.898,5,0.365,0.73,1.0,0.8158882187649921,0.9313617983688575,0.9618000822424783,0.9663491193201289,0.9188498046741143
EOS-2-27498,Fc1ccccc1-c1cc(F)c(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1F,TVJVXBSYPBLKGL-UHFFFAOYSA-N,2,1,0.512,34,210,468.826,4.898,5,0.365,0.73,1.0,0.9033736549928038,0.9429871153450757,0.9302566650675074,0.9485813172503598,0.9312996881639366
EOS-2-27499,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)cc4)n23)cc1Cl,QBFSQNXBAFDHPL-UHFFFAOYSA-N,2,1,0.506,34,469,468.826,4.898,5,0.341,0.7,1.0,0.932329860873141,0.9551435816599273,0.9534301966965938,0.954483928449044,0.9488468919196765
EOS-2-27500,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1noc(=O)n1C,JTMPZNAJSHVDDH-UHFFFAOYSA-N,2,1,0.489,13,209,468.832,3.738,5,0.383,0.7,1.0,0.5131587965184018,0.5621359056952916,0.535278596395038,0.5261291206908368,0.5341756048248921
EOS-2-27501,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1noc(C)n1,DFJDOLRGLMVDJM-UHFFFAOYSA-N,2,1,0.392,46,896,468.836,3.32,5,0.366,0.62,0.961,0.5056970050030841,0.5070248783496676,0.19004866013295868,0.17813206771297374,0.3452256527996711
EOS-2-27502,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(F)cc1-c1noc(C)n1,RANFLUUTQLXEFS-UHFFFAOYSA-N,2,1,0.452,4,208,468.836,3.32,5,0.366,0.56,1.0,0.602588924679597,0.6339695702830512,0.3083236241518744,0.2709632650263861,0.4539613460352272
EOS-2-27503,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1ncon1,CNQNXULWJQHNQV-UHFFFAOYSA-N,2,1,0.427,49,896,468.836,3.054,5,0.329,0.6,0.999,0.7861952573504215,0.5295730244671373,0.2868120759372216,0.26512918922623535,0.46692738674525397
EOS-2-27504,OCCn1cnnc1COc1cncc2nnc(-c3ccc(Cl)nc3-c3cnc(F)cn3)n12,OITBNTVZSFWVGW-UHFFFAOYSA-N,2,1,0.376,92,185,468.84,1.599,5,0.35,0.55,0.999,0.3887756151052018,0.39406140771708587,0.07009457884997601,0.1281954629566171,0.2452817661572202
EOS-2-27505,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2F)c(=O)n1C,CNRUNCBGHHJGPS-UHFFFAOYSA-N,2,1,0.358,51,924,468.84,1.447,5,0.351,0.49,0.729,0.39539784798848604,0.3704252621478994,0.029067575902953877,0.049868069357823314,0.21118968884929065
EOS-2-27506,Cn1nc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)cc1-c1ccc(OC(F)F)cc1,VCIFHMPBZQTTDQ-UHFFFAOYSA-N,2,1,0.692,1,15,468.851,5.239,5,0.339,0.82,1.0,0.47073538482626276,0.6778322253443904,0.9148019326982386,0.917911726406689,0.7453203173188953
EOS-2-27507,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5Cl)n34)cc2F)o1,PSWZPXCVYOGMCL-UHFFFAOYSA-N,2,1,0.619,88,629,468.851,4.703,5,0.356,0.77,1.0,0.9557775340963608,0.9429956822698924,0.8183126584881091,0.829766636967994,0.8867131279555891
EOS-2-27508,FC(F)Oc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cc3)n12,DISYFLGTERHLAV-UHFFFAOYSA-N,2,1,0.588,43,713,468.851,4.811,5,0.341,0.76,1.0,0.5364094304708382,0.7444571996436159,0.944246453293126,0.9282777054348571,0.7883476972106093
EOS-2-27509,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c(Cl)c2)o1,QAONNQXZUPKPKL-UHFFFAOYSA-N,2,1,0.607,88,629,468.851,4.703,5,0.356,0.72,1.0,0.9181430333767391,0.9154615859091221,0.8183212254129257,0.8256716469056268,0.8693993729011034
EOS-2-27510,OCCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccc2F)cn1,RUSKWKMVGSOWFZ-UHFFFAOYSA-N,2,1,0.467,13,145,468.851,4.371,5,0.398,0.65,1.0,0.5264203961346036,0.5816513604276609,0.9040590089781372,0.9124288945240216,0.7311399150161059
EOS-2-27511,FC(F)OCn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,HFLPUBWSOILNCG-UHFFFAOYSA-N,2,1,0.593,13,15,468.851,5.297,5,0.322,0.78,1.0,0.6110187786991982,0.8446302515249127,0.9502090329655267,0.9456428620382428,0.8378752313069702
EOS-2-27512,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2F)no1,FBDFKVJQRWPNCO-UHFFFAOYSA-N,2,1,0.714,88,781,468.851,4.703,5,0.356,0.73,1.0,0.9661520800493455,0.943004249194709,0.8167877458707422,0.8237954903707765,0.8874348913713933
EOS-2-27513,FC(F)Oc1ccc(Cl)cc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cc3)n12,DFEBCPKZXUNZOO-UHFFFAOYSA-N,2,1,0.588,43,713,468.851,4.811,5,0.341,0.81,1.0,0.5057055719279008,0.6243489137139332,0.9436724693304092,0.9273867452539236,0.7502784250565417
EOS-2-27514,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,QXBMZBFZWZOVEY-UHFFFAOYSA-N,2,1,0.714,88,781,468.855,3.535,5,0.376,0.78,1.0,0.9312075937221574,0.9487612226715099,0.6819357823315743,0.7501713384963333,0.8280189843053938
EOS-2-27515,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)ccc2F)n1C,NRTKFQANGICQJK-UHFFFAOYSA-N,2,1,0.506,34,10,468.855,3.801,5,0.387,0.68,1.0,0.5625556850113084,0.8041001302172572,0.38313001165101773,0.49001096566376534,0.5599491981358372
EOS-2-27516,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1F,UBLSCBYXIWHFCI-UHFFFAOYSA-N,2,1,0.534,37,125,468.855,3.535,5,0.352,0.62,1.0,0.7973408265369063,0.7786906312110204,0.7264580906037968,0.7449883489822493,0.7618694743334933
EOS-2-27517,Cn1cnc(-c2ccnc(Cl)c2)c1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,RIWUQHVLSAUKDV-UHFFFAOYSA-N,2,1,0.447,27,69,468.855,4.152,5,0.345,0.65,0.996,0.5909893084778288,0.6582482352134877,0.7187478582687958,0.6673548762936057,0.6588350695634295
EOS-2-27518,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)nc1F,VFCVCAHSIRAUSX-UHFFFAOYSA-N,2,1,0.454,95,442,468.855,3.535,5,0.352,0.63,0.999,0.5909978754026455,0.6339781372078679,0.6516260023302035,0.7020680556507436,0.6446675176478651
EOS-2-27519,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cn1,JYMLJBXXMUXRRX-UHFFFAOYSA-N,2,1,0.521,65,468,468.855,4.115,5,0.354,0.72,1.0,0.5880508532657117,0.7398481940922487,0.7769172777739702,0.7399081625659654,0.711181121924474
EOS-2-27520,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c(F)c1,NREWUDKNEHZTBA-UHFFFAOYSA-N,2,1,0.402,26,379,468.855,3.975,5,0.348,0.65,1.0,0.6726235350558564,0.6827239394147077,0.6101278185182647,0.6182920978685491,0.6459418477143445
EOS-2-27521,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)nc2F)n[nH]1,QMKBHKGYFWXMKD-UHFFFAOYSA-N,2,1,0.44,84,442,468.855,3.833,5,0.377,0.6,1.0,0.7305873483654307,0.7786991981358372,0.5688438078267425,0.626884723459667,0.6762537694469193
EOS-2-27522,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2C(F)F)cn1,MEVIQUQGAWPMGF-UHFFFAOYSA-N,2,1,0.385,46,565,468.855,4.152,5,0.345,0.63,0.996,0.5467325748749229,0.5621444726201082,0.7860924542526215,0.7131964909875951,0.652041498183812
EOS-2-27523,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cn1,BGXHNESQNHSVCK-UHFFFAOYSA-N,2,1,0.521,87,468,468.855,4.115,5,0.354,0.71,1.0,0.5570214515797409,0.7257213350695634,0.7316582139675142,0.6938780755260092,0.6770697690357069
EOS-2-27524,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nc2F)n1,PSCDIUHEJOWUHA-UHFFFAOYSA-N,2,1,0.581,84,308,468.855,3.535,5,0.352,0.59,0.823,0.7803440477006374,0.702599204989377,0.5911949146734288,0.6240062367212665,0.6745361010211774
EOS-2-27525,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1F,PQLOUCDIJXZVMX-UHFFFAOYSA-N,2,1,0.539,37,79,468.855,3.535,5,0.352,0.6,1.0,0.7274261531080803,0.735042149270098,0.7215235419093962,0.739916729490782,0.7309771434445892
EOS-2-27526,FCCn1cnnc1-c1cccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)n1,GIQWABQPOSFWJJ-UHFFFAOYSA-N,2,1,0.462,34,877,468.855,3.786,5,0.358,0.72,1.0,0.5107257898704681,0.5666592419984923,0.34911932012884656,0.48428825988623125,0.47769815297100954
EOS-2-27527,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1F,NSGHIQCLNHPIDX-UHFFFAOYSA-N,2,1,0.558,37,265,468.855,3.535,5,0.376,0.69,1.0,0.8843979165238846,0.8660903981906655,0.687204441093825,0.7212236995408128,0.789729113837297
EOS-2-27528,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ncc4F)n23)cc1-c1cncc(F)c1,OKWQKBUHKPYCJB-UHFFFAOYSA-N,2,1,0.438,95,493,468.855,3.535,5,0.352,0.67,1.0,0.48587314097731477,0.4576108560071277,0.6366681516003015,0.6762473442533068,0.5640998732095127
EOS-2-27529,FC(F)n1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)nc1Cl,PTDOUDHBFWYWOW-UHFFFAOYSA-N,2,1,0.436,18,773,468.855,4.115,5,0.331,0.6,1.0,0.622087245562333,0.6009098074155301,0.7838307861010212,0.75017990542115,0.6892519361250085
EOS-2-27530,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)c(F)c1,RSXWGGQMTONMJW-UHFFFAOYSA-N,2,1,0.467,36,908,468.855,3.975,5,0.372,0.67,1.0,0.5939620313892126,0.687744157357275,0.5815399904050442,0.6360170653142349,0.6248158111164417
EOS-2-27531,FC(F)n1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,HNEYXGDAMGQBEL-UHFFFAOYSA-N,2,1,0.54,15,669,468.855,4.115,5,0.331,0.61,1.0,0.6966794599410595,0.7487920636008498,0.7444400657939826,0.7184908505242958,0.727100609965047
EOS-2-27532,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cn1,BTUUVMNOSMGPRD-UHFFFAOYSA-N,2,1,0.505,65,468,468.855,4.115,5,0.331,0.71,1.0,0.5544599410595573,0.7303903090946474,0.7816205194983209,0.7264238229045302,0.698223648139264
EOS-2-27533,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)ncc1F,MGERQJRNCKGSRL-UHFFFAOYSA-N,2,1,0.404,31,814,468.855,3.535,5,0.376,0.57,0.848,0.6166558152285656,0.49793537111918307,0.6819443492563909,0.6938866424508259,0.6226055445137414
EOS-2-27534,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cn1,ZVIJTFOZPCNKGL-UHFFFAOYSA-N,2,1,0.469,87,468,468.855,4.115,5,0.331,0.72,1.0,0.5007196216846,0.697390514700843,0.7057175656226441,0.6673634432184223,0.6427977863066274
EOS-2-27535,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)nc2F)n1,IJDIBGDPBVWGAH-UHFFFAOYSA-N,2,1,0.484,37,442,468.855,3.535,5,0.352,0.64,0.842,0.6603728325680214,0.6680573641285724,0.5319289287917209,0.5970118566239463,0.6143427455280652
EOS-2-27536,Cn1cnc(Cl)c1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cnn1,MCWPAYLVBFPSBS-UHFFFAOYSA-N,2,1,0.506,36,51,468.855,4.152,5,0.369,0.65,0.978,0.8363974367760949,0.7026077719141937,0.789998971969022,0.7706719895826194,0.7749190425604825
EOS-2-27537,Cn1ncc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1-c1ccc(C(F)F)nc1,ZJRZGUZYKZHTOT-UHFFFAOYSA-N,2,1,0.441,27,69,468.855,4.152,5,0.345,0.7,1.0,0.4907134534987321,0.5157374408882187,0.7769258446987869,0.7289767664998972,0.6280883763964087
EOS-2-27538,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)n1,AJOGPGJNAPKIHY-UHFFFAOYSA-N,2,1,0.5,72,482,468.855,4.115,5,0.354,0.66,1.0,0.7363100541429648,0.8512267836337468,0.662805839215955,0.6445668562812693,0.723727383318484
EOS-2-27539,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2F)n1,RAVKFJLQOZBTDP-UHFFFAOYSA-N,2,1,0.714,37,781,468.855,3.535,5,0.376,0.73,1.0,0.9376242204098417,0.9388921252827085,0.6819529161812076,0.7318723870879309,0.8225854122404221
EOS-2-27540,FC(F)n1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,VTOGIFGBQUQWSR-UHFFFAOYSA-N,2,1,0.538,15,438,468.855,4.115,5,0.331,0.63,1.0,0.627732849016517,0.6729062435748064,0.6819614831060242,0.6616921389897882,0.661073178671784
EOS-2-27541,Cn1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cc1Cl,QHDXGMGEROFSCS-UHFFFAOYSA-N,2,1,0.506,27,69,468.855,4.152,5,0.369,0.71,0.997,0.6248372284284833,0.7210523610444795,0.7538808169419505,0.6792714687135906,0.6947604687821259
EOS-2-27542,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1F,PQYFPUUSVAIWBG-UHFFFAOYSA-N,2,1,0.54,37,265,468.855,3.535,5,0.376,0.66,1.0,0.797349393461723,0.7787077650606539,0.7444486327187992,0.772899390034953,0.7733512953190322
EOS-2-27543,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cn1,CXUGAWFFBOGLDN-UHFFFAOYSA-N,2,1,0.414,55,823,468.855,3.786,5,0.358,0.71,0.998,0.6166643821533823,0.5251267904872867,0.5217257213350696,0.5593773559043246,0.5557235624700158
EOS-2-27544,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cc5F)n34)cn2)n1,VGMQDEYOEQVFQB-UHFFFAOYSA-N,2,1,0.543,84,672,468.855,3.535,5,0.352,0.63,1.0,0.780352614625454,0.8116732917551915,0.6653844835857721,0.6732317867178398,0.7326605441710643
EOS-2-27545,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1ccc(F)c(F)c1,HNYJOVRQBYWXQI-UHFFFAOYSA-N,2,1,0.447,95,266,468.855,3.535,5,0.376,0.69,0.962,0.5209118634774861,0.5295815913919539,0.5488657391542732,0.6268932903844836,0.5565631211020492
EOS-2-27546,FC(F)n1cc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)cn1,KLSIXCJTDVOQOZ-UHFFFAOYSA-N,2,1,0.489,2,419,468.855,4.115,5,0.331,0.68,1.0,0.5131673634432184,0.6485419093962032,0.7964241655815228,0.7631073949695018,0.6803102083476116
EOS-2-27547,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)cc1-c1ccc(F)c(F)c1,UXCYMVDLSXJSKQ-UHFFFAOYSA-N,2,1,0.447,95,998,468.855,3.535,5,0.376,0.71,1.0,0.5416095538345556,0.5385939962990884,0.5755260091837434,0.6646048934274553,0.5800836131862107
EOS-2-27548,Cn1nc(-c2nnc3cncc(OCCc4cc(F)cnn4)n23)cc1-c1ccc(F)c(Cl)c1,UYZVQJNFSCJRJU-UHFFFAOYSA-N,2,1,0.447,95,998,468.855,3.535,5,0.376,0.68,1.0,0.5416181207593722,0.5386025632239051,0.5724076485504763,0.661700705914605,0.5785822596120896
EOS-2-27549,CCn1nc(-c2cccc(F)n2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,PRKZJJRUXQAKRN-UHFFFAOYSA-N,2,1,0.489,34,446,468.855,3.975,5,0.348,0.62,1.0,0.46347919950654515,0.6973990816256597,0.2537780138441505,0.4218096771982729,0.4591164930436571
EOS-2-27550,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)ccc2F)c1,ADRIJMUVDYHBOI-UHFFFAOYSA-N,2,1,0.489,37,125,468.855,3.535,5,0.376,0.67,1.0,0.8002193132753067,0.8308032348708108,0.6220786786375163,0.6558837639640874,0.7272462476869302
EOS-2-27551,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1C(F)F,HDIITWMYZYBYDF-UHFFFAOYSA-N,2,1,0.506,36,51,468.855,4.152,5,0.345,0.62,1.0,0.6540076074292372,0.6433332191076692,0.8296467000205606,0.7846532108834213,0.7279101843602221
EOS-2-27552,Cn1nc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cc1-c1cccc(F)c1F,YJXPNABAQZUXPZ-UHFFFAOYSA-N,2,1,0.423,95,998,468.855,3.535,5,0.376,0.68,0.429,0.45879309163182785,0.43588513467205814,0.5488743060790898,0.6154221780549654,0.5147436776094854
EOS-2-27553,FC(F)n1cc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,OMMLLXFRHOOWSA-UHFFFAOYSA-N,2,1,0.49,65,349,468.855,4.115,5,0.331,0.66,1.0,0.5081985470495511,0.5915804262901789,0.8296552669453773,0.7824001096566376,0.6779585874854362
EOS-2-27554,Cc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccn(C(F)F)n1,NRTYFEFXPGSXGZ-UHFFFAOYSA-N,2,1,0.406,46,62,468.855,4.381,5,0.365,0.6,1.0,0.5364179973956549,0.5204663833870194,0.7187564251936125,0.664613460352272,0.6100635665821397
EOS-2-27555,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nc1F,QGFNRCYHLXWSJH-UHFFFAOYSA-N,2,1,0.423,58,814,468.855,3.535,5,0.352,0.59,1.0,0.7244534301966966,0.6582568021383044,0.4266756904941402,0.47794873552189704,0.5718336645877595
EOS-2-27556,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c(F)c1,CXLIZKGGIVQYOU-UHFFFAOYSA-N,2,1,0.54,37,908,468.855,3.535,5,0.352,0.63,1.0,0.8681721609211157,0.8660989651154821,0.6653930505105887,0.6879069289287917,0.7718927763689944
EOS-2-27557,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)c(F)c1,YNIGJDJOFGSIGR-UHFFFAOYSA-N,2,1,0.506,37,353,468.855,3.535,5,0.352,0.69,1.0,0.8456068809540127,0.8271965595229936,0.48732951819614834,0.5334110067850044,0.6733859913645399
EOS-2-27558,FC(F)n1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,QBAGDHVUFMEAND-UHFFFAOYSA-N,2,1,0.5,58,578,468.855,4.115,5,0.331,0.72,1.0,0.7719056267562195,0.7531269275580837,0.814937290110342,0.7729079569597698,0.7782194503461037
EOS-2-27559,Cn1cc(-c2cc(F)c(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2F)cn1,XPQAQYLKHWIEPL-UHFFFAOYSA-N,2,1,0.472,20,279,468.855,3.535,5,0.376,0.59,1.0,0.6696593790692893,0.6537763004591872,0.6765643204715236,0.6938952093756425,0.6734738023439106
EOS-2-27560,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1-c1ccc(Cl)nc1,RJXYCILLGZTXIE-UHFFFAOYSA-N,2,1,0.441,95,493,468.855,3.535,5,0.352,0.62,0.999,0.5156689054896855,0.4930864916729491,0.6543417174970872,0.6853025837845247,0.5870999246110616
EOS-2-27561,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(Cl)c1F,NNASVKBMAKGDBA-UHFFFAOYSA-N,2,1,0.529,37,161,468.855,3.535,5,0.376,0.61,1.0,0.6758446987869234,0.7444657665684326,0.6737543691316565,0.6964567198958262,0.6976303885957096
EOS-2-27562,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5c(F)nnc(Cl)c5F)n34)c2)c1,FQEWRVUMJKYICT-UHFFFAOYSA-N,2,1,0.522,37,438,468.855,3.535,5,0.376,0.58,1.0,0.7515163456925502,0.7832396682886711,0.5587691042423412,0.5879309163182784,0.6703640086354603
EOS-2-27563,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)ccc1F,FKZCMDLNBSASFY-UHFFFAOYSA-N,2,1,0.423,26,911,468.855,3.975,5,0.348,0.73,1.0,0.6540161743540539,0.7073452813378109,0.6366767185251182,0.6328301692824344,0.6577170858748543
EOS-2-27564,FC(F)n1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,PMPZYQASVXJYEC-UHFFFAOYSA-N,2,1,0.566,15,438,468.855,4.115,5,0.331,0.61,1.0,0.630517099581934,0.7165804262901789,0.708116304571311,0.670361866904256,0.68139392433692
EOS-2-27565,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)nc1F,MMHUKTMAQJVGRJ-UHFFFAOYSA-N,2,1,0.458,37,442,468.855,3.535,5,0.352,0.67,0.964,0.6878640943047084,0.6925502021794256,0.5655455417723254,0.629771777122884,0.6439329038448359
EOS-2-27566,FC(F)n1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)c1,SUEVUBDYYFTKAN-UHFFFAOYSA-N,2,1,0.522,15,931,468.855,4.115,5,0.331,0.59,1.0,0.6166729490781989,0.663139949283805,0.6399407168802687,0.6360256322390515,0.638944811870331
EOS-2-27567,Clc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)c2)cc1,NMYVLULISVXHJK-UHFFFAOYSA-N,2,1,0.413,28,870,468.864,4.744,6,0.353,0.74,0.868,0.5570300185045576,0.6154393119045988,0.5655541086971421,0.615430744979782,0.5883635460215202
EOS-2-27568,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(Cl)nn6)c5)n34)cc2)o1,UXMQHJJOUOADCX-UHFFFAOYSA-N,2,1,0.309,98,63,468.868,3.717,6,0.376,0.62,1.0,0.22451339867041326,0.3844493180727846,0.2608285929682681,0.3041600986909739,0.29348785210060996
EOS-2-27569,Cc1cnc(-c2cc(-c3nnc4cncc(-c5nnc(-c6cnccn6)o5)n34)ccc2Cl)cn1,PJIVHNZGUZEBHD-UHFFFAOYSA-N,2,1,0.325,86,944,468.868,3.717,6,0.376,0.63,0.997,0.27545233363032007,0.4487612226715098,0.22473613871564663,0.2916181207593722,0.3101419539442122
EOS-2-27570,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nn6)nc5)n34)cc2)o1,BYVHFMNBGHDPRJ-UHFFFAOYSA-N,2,1,0.301,9,787,468.868,3.426,6,0.4,0.61,1.0,0.14995545199095334,0.20034610376259337,0.36416284010691524,0.37432321293948323,0.27219690219998627
EOS-2-27571,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)nn2)n1,XRHGABWPLNGJFN-UHFFFAOYSA-N,2,1,0.31,99,14,468.872,2.549,6,0.354,0.69,0.737,0.12495716537591667,0.21975018847234595,0.09507573161537934,0.1620176821328216,0.1504501918991159
EOS-2-27572,Cn1cc(Cl)c(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnnc6)cn5)n34)nn2)n1,FWBRXCLXDHXWDZ-UHFFFAOYSA-N,2,1,0.268,99,719,468.872,2.549,6,0.379,0.57,0.999,0.08222534439037762,0.13530601055445138,0.11331471455006512,0.1726920704543897,0.12588453498732097
EOS-2-27573,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)cc5)n34)o2)c1,ZUXCEWCDUWAXQC-UHFFFAOYSA-N,2,1,0.405,93,950,468.879,5.968,6,0.317,0.8,1.0,0.34276266191487903,0.6386471112329518,0.8555445137413474,0.9158213967514222,0.6881939209101501
EOS-2-27574,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)cc1Cl,AJAGRBQPTCVZRA-UHFFFAOYSA-N,2,1,0.38,93,107,468.879,5.968,6,0.317,0.86,1.0,0.38659104927695154,0.5816599273524775,0.8555530806661641,0.9090192584469878,0.6832058289356453
EOS-2-27575,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4Cl)n23)cc1,ZFCUUTODGFLSIP-UHFFFAOYSA-N,2,1,0.346,69,30,468.879,5.968,6,0.317,0.73,0.991,0.3452213693372627,0.5204749503118361,0.8995185388253033,0.9282862723596738,0.673375282708519
EOS-2-27576,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4Cl)cc3)n12,RLQDTHOZAXCPCQ-UHFFFAOYSA-N,2,1,0.378,93,538,468.879,5.968,6,0.317,0.75,1.0,0.3909516140086355,0.5915889932149956,0.9224864642587897,0.9456514289630594,0.7126696251113701
EOS-2-27577,Fc1cc(-c2ccccc2Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cnoc4)nc3)n12,RVDSEEYFKBFJHO-UHFFFAOYSA-N,2,1,0.411,69,192,468.879,5.968,6,0.317,0.78,1.0,0.3357720512644781,0.4707610856007128,0.9259989034336235,0.947236310054143,0.6699420875882394
EOS-2-27578,Fc1c(Cl)cccc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,XYFBMVQPJQICKS-UHFFFAOYSA-N,2,1,0.313,69,30,468.879,5.968,6,0.317,0.66,1.0,0.36117298334589815,0.4796107189363306,0.89952710575012,0.9210900555136728,0.6653502158865053
EOS-2-27579,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5noc(-c6cccc(Cl)c6)n5)n34)cc2)cc1,ZFRPDIDEOJKXSQ-UHFFFAOYSA-N,2,1,0.405,93,107,468.879,5.968,6,0.317,0.87,1.0,0.29767493660475636,0.5666678089233089,0.8411263792748955,0.9102357617709547,0.6539262216434789
EOS-2-27580,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)no5)n34)cc2)cc1Cl,TWZYLHGDNWSNDQ-UHFFFAOYSA-N,2,1,0.394,93,107,468.879,5.968,6,0.317,0.78,1.0,0.36588479199506546,0.5386111301487219,0.8443475430059626,0.89980981426907,0.662163319854705
EOS-2-27581,Fc1cc(-c2cccc(Cl)n2)ccc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,SFIPMVMAVQVUEQ-UHFFFAOYSA-N,2,1,0.341,69,30,468.879,5.968,6,0.296,0.72,1.0,0.48322596120896444,0.5341563292440545,0.9167037900075389,0.9305907751353574,0.7161692138989788
EOS-2-27582,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)ccc1Cl,FWYMGZPWTUGTCI-UHFFFAOYSA-N,2,1,0.38,93,107,468.879,5.968,6,0.317,0.84,1.0,0.41709786854910563,0.6631485162086218,0.8555616475909807,0.9090278253718045,0.7112089644301283
EOS-2-27583,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)c(-c6ccccc6)c5)n34)o2)cc1,OSANEBIQIOKELM-UHFFFAOYSA-N,2,1,0.392,93,950,468.879,5.968,6,0.317,0.8,1.0,0.40594373243780413,0.6974076485504763,0.8459495579466795,0.9124374614488383,0.7154346000959496
EOS-2-27584,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)o5)n34)cc2)cc1,KBFNEGCYFVTDKK-UHFFFAOYSA-N,2,1,0.433,83,950,468.879,5.968,6,0.317,0.83,1.0,0.35652114317044753,0.7120742238366116,0.8644455486258653,0.9200620245356727,0.7132757350421493
EOS-2-27585,Fc1c(Cl)cccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)o1,PMFHIHGFUAKEEV-UHFFFAOYSA-N,2,1,0.375,93,107,468.879,5.968,6,0.317,0.8,1.0,0.3774158727983003,0.5482574874922898,0.8379480501679117,0.8998183811938867,0.6658599479130971
EOS-2-27586,COc1cc(-c2nnc3cncc(OCCc4nn(F)cc4Cl)n23)ccc1-c1ccnn1C,BANHWLWUBIWBIE-UHFFFAOYSA-N,2,1,0.49,15,771,468.88,3.404,5,0.361,0.69,1.0,0.4955794667945994,0.5251353574121034,0.4231204166952231,0.3743317798642999,0.4545417551915565
EOS-2-27587,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4oc(CF)nc4Cl)n23)ccn1,UDGGWKRZXXVCQN-UHFFFAOYSA-N,2,1,0.459,75,624,468.88,3.802,5,0.338,0.62,1.0,0.43312658488109107,0.4037420327599205,0.13038002878486737,0.1465543828387362,0.27845075731615376
EOS-2-27588,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)cc5)n34)cn2)nc1,QGAXWUJEZMTVSN-UHFFFAOYSA-N,2,1,0.387,3,150,468.883,4.894,6,0.366,0.76,1.0,0.039973271194571995,0.31734459598382564,0.7391885408813652,0.8217908299636763,0.4795743095058598
EOS-2-27589,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(Cl)ccn6)cn5)n34)cc2)nc1,FKVPTTJTPMBSGV-UHFFFAOYSA-N,2,1,0.329,3,572,468.883,4.894,6,0.366,0.7,1.0,0.06581968336645877,0.2711517373723528,0.7838393530258378,0.8356949489411281,0.48912643067644435
EOS-2-27590,Fc1cc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)ccc1-c1ccccc1,KBQRQLZLBBDQIM-UHFFFAOYSA-N,2,1,0.337,93,689,468.883,4.894,6,0.366,0.69,1.0,0.09646357343567953,0.3560842300047975,0.6160903981906655,0.7963127955589062,0.46623774929751216
EOS-2-27591,Fc1ccc(Cl)nc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cn1,VJIPXMGHGQVXAA-UHFFFAOYSA-N,2,1,0.31,30,737,468.883,4.894,6,0.342,0.75,0.999,0.010331711328901377,0.19103385648687546,0.6654016174354054,0.7658059762867521,0.4081432903844836
EOS-2-27592,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cnc1Cl,FIGIBHXMRYIKMJ-UHFFFAOYSA-N,2,1,0.321,9,834,468.883,5.098,6,0.361,0.69,1.0,0.29225207319580565,0.41786032485778907,0.864454115550682,0.8819991775752176,0.6141414227948736
EOS-2-27593,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)nc1Cl,QWONRTQBVTZPOY-UHFFFAOYSA-N,2,1,0.364,93,774,468.883,4.894,6,0.342,0.69,0.989,0.04883147145500651,0.26050304982523476,0.6708758823932561,0.7681533136865191,0.4370909293400041
EOS-2-27594,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)cc1Cl,AHAZZOOCIQGRJY-UHFFFAOYSA-N,2,1,0.302,3,783,468.883,4.894,6,0.366,0.7,1.0,0.039981838119388664,0.24557089986978275,0.7941539305051059,0.8557929545610308,0.483874905763827
EOS-2-27595,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)n2)cc1,YKROWJBUFHRXSK-UHFFFAOYSA-N,2,1,0.364,3,158,468.883,4.894,6,0.366,0.75,1.0,0.055179562744157355,0.3800116510177507,0.689911589335892,0.8378024124460284,0.4907263038859571
EOS-2-27596,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)cn2)cc1,KMDPFCSYIVXVHR-UHFFFAOYSA-N,2,1,0.362,3,668,468.883,4.894,6,0.366,0.79,0.996,0.050304982523473374,0.26592591323418546,0.8088976081145912,0.8558015214858474,0.49523250633952437
EOS-2-27597,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cc1Cl,KGZNSCNDYJCKEV-UHFFFAOYSA-N,2,1,0.306,30,298,468.883,4.894,6,0.366,0.73,1.0,0.0778133781097937,0.29206360084983896,0.7187649921184291,0.8137207867863752,0.4755906894661093
EOS-2-27598,Fc1cc(Cl)ccc1-n1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,ADYQIGOKYLNUES-UHFFFAOYSA-N,2,1,0.306,30,298,468.883,4.894,6,0.366,0.79,1.0,0.06789287917209239,0.3268024809814269,0.6737629360564732,0.7916352546090055,0.4650233877047495
EOS-2-27599,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1Cl,ZKSPLOITIRIJNW-UHFFFAOYSA-N,2,1,0.302,3,289,468.883,4.894,6,0.366,0.78,0.999,0.057107120827907615,0.30188986361455694,0.7391971078061819,0.8159396203138921,0.4785334281406346
EOS-2-27600,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1Cl,IFEIVDCFWWZHAB-UHFFFAOYSA-N,2,1,0.355,93,689,468.883,4.894,6,0.366,0.79,1.0,0.08435850866972791,0.36548214652868205,0.6872130080186416,0.8275906380645603,0.491161075320403
EOS-2-27601,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5nccc(Cl)n5)c4)n23)cc1,FKIRTRXIDZUQGE-UHFFFAOYSA-N,2,1,0.354,3,150,468.883,4.894,6,0.342,0.71,0.999,0.019489753957919267,0.2659344801590021,0.7316667808923308,0.8137293537111918,0.457705092180111
EOS-2-27602,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(-c3cnn(-c4ncccc4Cl)c3)n12,QPGAHJLFZRNYOF-UHFFFAOYSA-N,2,1,0.34,42,673,468.883,4.894,6,0.366,0.74,1.0,0.014109725173051882,0.2812778425056542,0.7699695017476527,0.8357035158659447,0.47526514632307587
EOS-2-27603,Fc1cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)ccc1Cl,ZGAFZEVDQMSCSG-UHFFFAOYSA-N,2,1,0.287,30,298,468.883,4.894,6,0.366,0.77,0.444,0.033059762867521075,0.2659430470838188,0.7006459461311767,0.8092402851072579,0.4522222602974436
EOS-2-27604,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ccccn5)c4)n23)nn1,ZNHXWVSTCNQABM-UHFFFAOYSA-N,2,1,0.299,3,783,468.883,4.894,6,0.366,0.72,1.0,0.06066239462682475,0.3463864711123295,0.7444571996436159,0.8417431978616956,0.49831231581111646
EOS-2-27605,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc1Cl,TVWZZIZJGHECQL-UHFFFAOYSA-N,2,1,0.287,30,298,468.883,4.894,6,0.366,0.76,0.444,0.028202316496470425,0.23503358234528135,0.7006545130559935,0.8092488520320745,0.44328481598245495
EOS-2-27606,Fc1cccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2Cl)c1,SJNQKAIJFYZLQK-UHFFFAOYSA-N,2,1,0.37,9,834,468.883,5.098,6,0.386,0.68,1.0,0.2543862655061339,0.45327599204989377,0.8149458570351586,0.8625351243917483,0.5962858097457336
EOS-2-27607,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cn1,ORASQNIKPHZXRU-UHFFFAOYSA-N,2,1,0.324,10,673,468.883,4.894,6,0.366,0.69,0.738,0.03042971694880406,0.20035467068741006,0.772436776094853,0.827599204989377,0.457705092180111
EOS-2-27608,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3cnn(-c4ncccc4Cl)c3)n12,HIKJSRIMLJUEOV-UHFFFAOYSA-N,2,1,0.329,3,673,468.883,4.894,6,0.366,0.71,1.0,0.018470289904735798,0.2711603042971695,0.7107377835652114,0.7916438215338222,0.4480030498252347
EOS-2-27609,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)cc1Cl,XKEFWUBGGGPIIY-UHFFFAOYSA-N,2,1,0.287,30,298,468.883,4.894,6,0.366,0.71,0.995,0.014983551504351997,0.17847474470564045,0.7607343567952848,0.852614625454047,0.451701819614831
EOS-2-27610,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(Cl)cc6)n5)n34)cc2)nc1,ZCULGEHNEOOTTJ-UHFFFAOYSA-N,2,1,0.346,3,118,468.883,4.894,6,0.366,0.73,1.0,0.06582825029127544,0.32224487697895965,0.7239308477828799,0.8159481872387088,0.48198804057295597
EOS-2-27611,Fc1cc(Cl)cnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,QQSCETIVINSILV-UHFFFAOYSA-N,2,1,0.302,30,673,468.883,4.894,6,0.366,0.81,1.0,0.029307449797820573,0.28128640943047084,0.6791943663902406,0.770680556507436,0.440117195531492
EOS-2-27612,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(Cl)c5)n4)n23)cc1,QTTBSDWJUSZQIH-UHFFFAOYSA-N,2,1,0.35,3,689,468.883,4.894,6,0.366,0.76,1.0,0.057115687752724284,0.3940699746419025,0.6737715029812898,0.8297752038928107,0.4886830923171819
EOS-2-27613,Fc1c(Cl)cccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nn1,NXGTYFAOSDJCPY-UHFFFAOYSA-N,2,1,0.313,3,641,468.883,5.098,6,0.386,0.68,1.0,0.2894592557055719,0.4487697895963265,0.8330477691727778,0.8763364402714002,0.6119033136865191
EOS-2-27614,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)ccc1-c1nc[nH]n1,OERFMUQMDNQJIT-UHFFFAOYSA-N,2,1,0.329,9,834,468.883,5.098,6,0.361,0.71,1.0,0.32825885820026046,0.47076965252552944,0.8630834075800151,0.8903005277225687,0.6381031115070934
EOS-2-27615,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)n6)cc5)n34)cn2)cc1,NLJIXJVPXCYJIR-UHFFFAOYSA-N,2,1,0.337,3,668,468.883,4.894,6,0.342,0.74,1.0,0.04292886025632239,0.2505482831882667,0.8089061750394079,0.8417517647865123,0.48603377081762733
EOS-2-27616,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6Cl)n5)n34)cc2)ccn1,IJUSMGZCICWBFW-UHFFFAOYSA-N,2,1,0.318,3,289,468.883,4.894,6,0.342,0.74,0.998,0.04884003837982318,0.3222534439037763,0.7343739291343979,0.8276077719141937,0.48326879583304777
EOS-2-27617,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cn2)cc1,NJOQWXYBSIAXNF-UHFFFAOYSA-N,2,1,0.333,3,673,468.883,4.894,6,0.342,0.78,0.998,0.013501473511068467,0.2605116167500514,0.7607429237201014,0.8276163388390103,0.4655930882050579
EOS-2-27618,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5Cl)n34)cc2)cn1,WCLRDBXCIIJAGP-UHFFFAOYSA-N,2,1,0.342,9,834,468.883,5.098,6,0.361,0.65,1.0,0.31834692618737576,0.45761942293194435,0.8687889795079159,0.8930162428894524,0.6344428928791721
EOS-2-27619,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nn1,RDSLZQWOTFALFR-UHFFFAOYSA-N,2,1,0.314,30,298,468.883,4.894,6,0.366,0.76,0.999,0.044402371324789254,0.2455794667945994,0.7343824960592146,0.8316684942772942,0.4640082071139744
EOS-2-27620,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1Cl,RCGXBNANRBSVBT-UHFFFAOYSA-N,2,1,0.318,9,834,468.883,5.098,6,0.386,0.72,1.0,0.34050099376327875,0.4487783565211432,0.8131125351243917,0.8593225275854979,0.6154286032485778
EOS-2-27621,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cccnc5-c5cccc(Cl)c5)n34)n2)cc1,TWGLTTLBVHWCJP-UHFFFAOYSA-N,2,1,0.353,3,118,468.883,4.894,6,0.366,0.71,0.998,0.036966280583921596,0.2659516140086355,0.6460489342745528,0.784661777808238,0.4334071516688369
EOS-2-27622,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cc1Cl,WVNVXDGOZZKNGU-UHFFFAOYSA-N,2,1,0.306,9,834,468.883,5.098,6,0.386,0.72,1.0,0.28112363785895417,0.47961928586114727,0.8555702145157974,0.8833784524707011,0.62492289767665
EOS-2-27623,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnnn5-c5cccc(Cl)c5)n34)cc2)cc1,PHZNIBPJZCSTBQ-UHFFFAOYSA-N,2,1,0.385,83,689,468.883,4.894,6,0.366,0.77,1.0,0.055188129668974024,0.39891885408813654,0.7239394147076965,0.8691145226509492,0.5117902302789391
EOS-2-27624,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c(Cl)c1,SABYWCXSJDFRKU-UHFFFAOYSA-N,2,1,0.351,93,689,468.883,4.894,6,0.366,0.72,1.0,0.10385682955246385,0.3753255431430334,0.6304228634089507,0.8049225549996574,0.47863194777602636
EOS-2-27625,Fc1ccc(Cl)cc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cn1,BOZRWKMWUDEDAH-UHFFFAOYSA-N,2,1,0.333,42,50,468.883,4.894,6,0.366,0.65,1.0,0.05031354944829004,0.3173531629086423,0.8364745390994449,0.8721729148104996,0.5190785415667192
EOS-2-27626,Fc1ccc(-c2ccc(Cl)c(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)nc1,JKMATEPXWDAHDN-UHFFFAOYSA-N,2,1,0.31,9,834,468.883,5.098,6,0.386,0.7,1.0,0.295079158385306,0.4707782194503461,0.8313515180590775,0.8721814817353163,0.6173475944075115
EOS-2-27627,Fc1cc(-c2ccccc2Cl)ccc1-c1nnc2cncc(-c3cn(-c4cccnc4)nn3)n12,CYJWNCPPCZIBHK-UHFFFAOYSA-N,2,1,0.37,3,783,468.883,4.894,6,0.366,0.67,1.0,0.033068329792337744,0.26596018093345214,0.7964327325063395,0.8721900486601329,0.4919128229730656
EOS-2-27628,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)c1,YKMUPFKMJNFMDJ-UHFFFAOYSA-N,2,1,0.349,3,783,468.883,4.894,6,0.366,0.64,1.0,0.012644781029401687,0.19104242341169214,0.6981272702350764,0.8256802138304434,0.4318736721266534
EOS-2-27629,Fc1ccc(Cl)cc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,DMDDNESBDLZFAV-UHFFFAOYSA-N,2,1,0.351,93,689,468.883,4.894,6,0.366,0.73,0.969,0.09391919676512919,0.40375059968473714,0.6334384209444178,0.802763689945857,0.4834679768350353
EOS-2-27630,Fc1cc(Cl)ccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,ZXJVJTKGHVEGCD-UHFFFAOYSA-N,2,1,0.351,93,689,468.883,4.894,6,0.366,0.72,1.0,0.10136385443081351,0.4131570831334384,0.6334469878692345,0.8027722568706737,0.48768504557604
EOS-2-27631,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)ccc1Cl,SEEYEKGHWPMZSI-UHFFFAOYSA-N,2,1,0.333,42,50,468.883,4.894,6,0.366,0.69,1.0,0.042937427181139055,0.317361729833459,0.8616355972859983,0.8833870193955178,0.5263304434240286
EOS-2-27632,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6Cl)c5)n34)cn2)nc1,YEQNPQOWSCQSLW-UHFFFAOYSA-N,2,1,0.31,10,673,468.883,4.894,6,0.366,0.68,0.998,0.03847405935165513,0.2920721677746556,0.7607514906449181,0.8297837708176273,0.480270372147214
EOS-2-27633,Fc1cc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nn2)ccc1Cl,MPWJRLYASUJDRG-UHFFFAOYSA-N,2,1,0.327,30,783,468.883,4.894,6,0.366,0.66,0.998,0.031723322596120894,0.24558803371941607,0.7081248714961278,0.8159567541635254,0.45034824549379754
EOS-2-27634,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)nn1,YDIDAROUUUDHFG-UHFFFAOYSA-N,2,1,0.324,30,298,468.883,4.894,6,0.366,0.63,0.998,0.030438283873620724,0.2003632376122267,0.6737800699061065,0.7963213624837229,0.4252257384689192
EOS-2-27635,Fc1cc(Cl)cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1,BIZLAPLZJVMSNA-UHFFFAOYSA-N,2,1,0.316,3,289,468.883,4.894,6,0.366,0.72,0.998,0.05357754780344048,0.25561990267973406,0.7057261325474607,0.8006647933657735,0.45389709409910217
EOS-2-27636,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6Cl)n5)n34)cc2)cc1,HTQJWLZKLCLCCJ-UHFFFAOYSA-N,2,1,0.382,93,689,468.883,4.894,6,0.366,0.78,0.999,0.13078267425125076,0.44878692344595983,0.6543502844219039,0.8197947364813927,0.5134286546501268
EOS-2-27637,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)c(Cl)c3)n12,KTAHIVTUGASLDG-UHFFFAOYSA-N,2,1,0.338,3,192,468.883,5.098,6,0.386,0.64,1.0,0.2651548900006854,0.4532845589747104,0.8221934754300596,0.8691230895757659,0.6024390034953053
EOS-2-27638,Fc1cc(-c2nnc3cncc(-c4ccc5cccc(F)c5c4-c4ccccc4)n23)ccc1Cl,AXOMYBHJOBXDAP-UHFFFAOYSA-N,2,1,0.374,83,107,468.894,7.21,6,0.275,0.71,1.0,0.5264289630594202,0.8156397779453087,0.9848194092248647,0.994971215132616,0.8304648413405524
EOS-2-27639,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)n[nH]1,SKXASTFRFQBRMD-UHFFFAOYSA-N,2,1,0.479,11,639,468.901,4.017,5,0.404,0.74,1.0,0.8481084230004797,0.7662685902268521,0.6628144061407717,0.7104722088958947,0.7469159070659995
EOS-2-27640,COc1nc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1-c1csc(C)n1,DBLSAQKRNZAJIU-UHFFFAOYSA-N,2,1,0.409,13,703,468.901,5.212,5,0.35,0.72,1.0,0.6248457953533,0.6433417860324858,0.587965184017545,0.5497052977863066,0.6014645157974094
EOS-2-27641,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ncns1,AHVWKGUBDSJUKX-UHFFFAOYSA-N,2,1,0.658,59,96,468.901,4.69,5,0.357,0.68,1.0,0.9154273182098553,0.8344099102186279,0.8111078747172915,0.7658145432115687,0.8316899115893359
EOS-2-27642,COc1cc(Cl)ccc1-c1nnc2cncc(OCc3scnc3-c3ccc(F)nc3)n12,TUYKABAKTCQOBA-UHFFFAOYSA-N,2,1,0.478,97,91,468.901,4.69,5,0.334,0.73,1.0,0.8002278802001234,0.8308118017956274,0.6574001096566376,0.6417055033925022,0.7325363237612227
EOS-2-27643,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1-c1nnc(C)s1,ZLLMYOWSUVOVFX-UHFFFAOYSA-N,2,1,0.494,13,209,468.901,5.212,5,0.35,0.74,1.0,0.6480878623809198,0.7488006305256665,0.665410184360222,0.6417140703173189,0.6760031868960318
EOS-2-27644,O=c1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)nc[nH]1,NEQNPWKPXXMHIC-UHFFFAOYSA-N,2,1,0.474,37,639,468.901,4.017,5,0.404,0.59,1.0,0.7832482352134877,0.6631570831334385,0.6844630251524912,0.7212322664656295,0.7130251524912617
EOS-2-27645,Oc1sc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)nc3)n12,KQSHSNZRMPAXDA-UHFFFAOYSA-N,2,1,0.495,58,76,468.901,4.429,5,0.368,0.56,0.997,0.727434720032897,0.7488091974504831,0.6399492838050853,0.6360341991638682,0.6880568501130834
EOS-2-27646,COc1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1nccs1,FHQUTSJCDZWBKI-UHFFFAOYSA-N,2,1,0.435,49,703,468.901,4.69,5,0.357,0.68,0.987,0.7118257830169282,0.6877527242820917,0.6128863683092317,0.5849410595572613,0.6493514837913783
EOS-2-27647,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cc2F)n[nH]1,HHQMYPLAFYRECH-UHFFFAOYSA-N,2,1,0.533,37,273,468.901,4.017,5,0.404,0.61,1.0,0.7973579603865396,0.7303988760194641,0.7032074566513604,0.742598176958399,0.7433906175039409
EOS-2-27648,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2F)cc1=O,BTKLWBYQNMMTOT-UHFFFAOYSA-N,2,1,0.511,4,554,468.901,3.985,5,0.387,0.69,1.0,0.5339849907477212,0.6154478788294154,0.6899201562607087,0.7132050579124117,0.6381395209375642
EOS-2-27649,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)ccc2F)cc1=O,IAKKDSYAOOYUFH-UHFFFAOYSA-N,2,1,0.517,16,605,468.901,3.985,5,0.387,0.7,1.0,0.5939705983140292,0.6339867041326845,0.7392056747309985,0.7501884723459666,0.6793378623809198
EOS-2-27650,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ncc(Cl)cc1F,QTUWOZOIHJXDJM-UHFFFAOYSA-N,2,1,0.472,16,591,468.901,4.69,5,0.357,0.56,1.0,0.8213196490987595,0.7350507161949147,0.6954201219930094,0.6586765814543212,0.7276167671852511
EOS-2-27651,COc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cnsc4)c(F)n3)n12,DYQOXKATIJENQJ-UHFFFAOYSA-N,2,1,0.421,97,348,468.901,4.69,5,0.334,0.53,1.0,0.6935953670070591,0.610479062435748,0.7517476526626002,0.7212408333904462,0.6942657288739634
EOS-2-27652,OCc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c(F)c2)cn1,VKNOKAWESFFWIJ-UHFFFAOYSA-N,2,1,0.489,4,554,468.901,4.174,5,0.399,0.67,1.0,0.7661657871290521,0.8412634500719621,0.7264666575286135,0.7264323898293469,0.7650820711397437
EOS-2-27653,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnc5C#N)cc4)n23)ccc1Cl,NKZJPCJMJMZIKW-UHFFFAOYSA-N,2,1,0.523,1,326,468.904,4.966,5,0.347,0.72,1.0,0.9587588239325612,0.947698923994243,0.9082225344390378,0.8642228085806319,0.9197257727366185
EOS-2-27654,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cccc(C#N)c1,UATWHOZWPWBRRT-UHFFFAOYSA-N,2,1,0.478,1,955,468.904,4.966,5,0.324,0.72,1.0,0.9273867452539236,0.8854859159756014,0.9204132684531561,0.8875676787060517,0.9052134020971832
EOS-2-27655,Cc1nc(-c2cnc(F)cn2)cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)n1,DFGHLQKWCCPHIX-UHFFFAOYSA-N,2,1,0.394,31,330,468.905,3.822,5,0.37,0.62,0.895,0.7661743540538688,0.658265369063121,0.2394369817010486,0.2887653347954218,0.48816050990336507
EOS-2-27656,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)n5)n34)cn2)s1,VJQFLOJLSRWLCB-UHFFFAOYSA-N,2,1,0.511,58,579,468.905,3.822,5,0.346,0.71,0.886,0.7689414707696526,0.8512353505585635,0.2247447056404633,0.2768744431498869,0.5304489925296415
EOS-2-27657,Cc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c(-c2cnc(F)nc2)n1,ICTIKTGIWRSUKG-UHFFFAOYSA-N,2,1,0.457,87,434,468.905,3.822,5,0.346,0.72,1.0,0.8766277157151668,0.7787163319854705,0.2757950106229868,0.3072870262490576,0.5596065211431704
EOS-2-27658,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2F)n1,HBZTYNRBYKKCTR-UHFFFAOYSA-N,2,1,0.41,31,814,468.905,3.822,5,0.346,0.54,0.865,0.8481169899252964,0.7745185388253033,0.2284970187101638,0.2682304160098691,0.5298407408676581
EOS-2-27659,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)s1,MECACAIHUOEOOB-UHFFFAOYSA-N,2,1,0.527,84,35,468.905,3.531,5,0.393,0.6,1.0,0.5711140429031595,0.5710540744294428,0.5286991981358372,0.5563446645192242,0.5568029949969159
EOS-2-27660,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)nc2C)s1,WBBAIDMOZWWQGV-UHFFFAOYSA-N,2,1,0.415,46,237,468.905,4.088,5,0.355,0.66,0.993,0.5654598725241587,0.5386196970735385,0.27163148516208624,0.29457370982112263,0.41757119114522656
EOS-2-27661,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)cn2)s1,UQLBEQOKXRULIS-UHFFFAOYSA-N,2,1,0.511,58,579,468.905,3.822,5,0.37,0.75,0.999,0.6848228359947913,0.7873860598999384,0.21767699266671237,0.2887739017202385,0.4946649475704201
EOS-2-27662,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)nc(Cl)c5)n34)c2)s1,YUKXHQJQDZFANO-UHFFFAOYSA-N,2,1,0.516,87,142,468.905,3.822,5,0.346,0.6,1.0,0.6818072784593242,0.6485504763210198,0.32315297100952645,0.36469398944554865,0.5045511788088548
EOS-2-27663,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ncn2)s1,XKCACNNQTNAPDE-UHFFFAOYSA-N,2,1,0.558,44,308,468.905,3.822,5,0.37,0.67,0.781,0.7182338427797957,0.6154564457542321,0.3120588033719416,0.3932732506339524,0.5097555856349805
EOS-2-27664,Cc1nc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)ccc1-c1cncs1,FTAWDMHPIMZDKS-UHFFFAOYSA-N,2,1,0.392,18,795,468.905,3.822,5,0.346,0.56,1.0,0.6025974916044137,0.6339952710575012,0.20395277911041051,0.24986292920293332,0.4226021177438147
EOS-2-27665,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)ncn2)s1,KWGWJWSKIOUJLV-UHFFFAOYSA-N,2,1,0.417,18,194,468.905,3.822,5,0.346,0.53,0.96,0.6333356178466177,0.6340038379823179,0.3231615379343431,0.3615413611130149,0.48801058871907343
EOS-2-27666,FCc1nc(-c2cnsc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)n1,CQPXUIHZRLVTIO-UHFFFAOYSA-N,2,1,0.444,18,773,468.905,3.844,5,0.332,0.55,1.0,0.5031954629566171,0.47078678637516275,0.23944554862586526,0.29778630662737304,0.37780352614625456
EOS-2-27667,N=c1[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)ns1,WXVRHPAHTFQILG-UHFFFAOYSA-N,2,1,0.505,37,639,468.905,3.531,5,0.368,0.53,1.0,0.7455280652456994,0.7210609279692961,0.42312898362003976,0.4720632581728463,0.5904453087519703
EOS-2-27668,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)s1,VDEWFXLWIWRNMG-UHFFFAOYSA-N,2,1,0.495,72,482,468.905,3.822,5,0.37,0.64,1.0,0.745536632170516,0.8078867109862243,0.2111147282571448,0.27688301007470356,0.5103552703721472
EOS-2-27669,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ccn2)ncc1F,XGHIUVJXIJOCGH-UHFFFAOYSA-N,2,1,0.518,75,359,468.905,3.822,5,0.37,0.62,1.0,0.7973665273113563,0.7488177643752998,0.17398567610170654,0.22651805907751354,0.486672006716469
EOS-2-27670,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)nc2)cs1,MLAQUFGCPJSLQY-UHFFFAOYSA-N,2,1,0.392,18,773,468.905,3.822,5,0.346,0.71,0.999,0.6166815160030156,0.6386556781577685,0.1968850661366596,0.23542766088684805,0.4219124802960729
EOS-2-27671,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc2F)s1,YHOOYNIXBHEKRB-UHFFFAOYSA-N,2,1,0.443,31,928,468.905,3.822,5,0.346,0.64,0.965,0.6305256665067507,0.6680659310533891,0.1867418271537249,0.265137756151052,0.4376177952162291
EOS-2-27672,FCc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)s1,RTKDOEHMARAXKO-UHFFFAOYSA-N,2,1,0.402,18,279,468.905,3.844,5,0.355,0.6,1.0,0.5131759303680351,0.5023216366253169,0.1739942430265232,0.22345966691796312,0.3532378692344596
EOS-2-27673,Cc1nc(-c2ccccc2F)cc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)n1,DBTYMHZERCHYMJ-UHFFFAOYSA-N,2,1,0.467,44,531,468.905,3.822,5,0.37,0.68,1.0,0.47587553971626345,0.5482660544171064,0.1164330751833322,0.24115893358919882,0.3454334007264752
EOS-2-27674,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2F)s1,IOJNWQXWSUYUFP-UHFFFAOYSA-N,2,1,0.442,31,773,468.905,3.822,5,0.346,0.66,1.0,0.669667945994106,0.6680744979782057,0.22475327256527997,0.2977948735521897,0.46507264752244537
EOS-2-27675,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)s1,VLWLEYXQFDUXMB-UHFFFAOYSA-N,2,1,0.505,87,142,468.905,3.822,5,0.346,0.54,1.0,0.619405798094716,0.6925587691042423,0.3377938455212117,0.3806713042286341,0.507607429237201
EOS-2-27676,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)ccn2)s1,FAJRJITTXUCCJP-UHFFFAOYSA-N,2,1,0.539,75,241,468.905,3.822,5,0.346,0.67,0.993,0.6788602563223906,0.7073538482626276,0.29028168048797204,0.33874477417586185,0.503810139812213
EOS-2-27677,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)nc4)n23)cc1,LLZCAGDDLKBMOZ-UHFFFAOYSA-N,2,1,0.619,19,56,468.908,4.171,6,0.362,0.83,1.0,0.8504300596257968,0.8635203207456651,0.45237646494414363,0.5563532314440408,0.6806700191899117
EOS-2-27678,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cc1C#N,LCJJWSVSTNVHAM-UHFFFAOYSA-N,2,1,0.408,18,367,468.908,4.098,5,0.342,0.7,1.0,0.7090758001507779,0.6827325063395243,0.5815485573298609,0.5693149886916592,0.6356679631279556
EOS-2-27679,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(Cl)c6)n5C)n34)cc2)o1,RNWKKIKEJWQUBY-UHFFFAOYSA-N,2,1,0.405,3,474,468.908,4.871,6,0.363,0.7,1.0,0.1362055376602015,0.3411692138989788,0.3530001370707971,0.4532674251250771,0.3209105784387636
EOS-2-27680,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cc4)n23)cn1,ZDPRKOXEUIOVBO-UHFFFAOYSA-N,2,1,0.582,91,755,468.908,4.171,6,0.338,0.77,1.0,0.930085326571174,0.8692601603728326,0.487338085120965,0.5528836268932904,0.7098917997395655
EOS-2-27681,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cn6ccccc6n5)cn4)n23)ccn1,VQHWELXKGLXTDQ-UHFFFAOYSA-N,2,1,0.439,18,384,468.908,4.171,6,0.338,0.68,1.0,0.7363186210677816,0.7444743334932493,0.49721574943458297,0.5463813309574396,0.6310975087382633
EOS-2-27682,Cc1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(Cl)n(C)n6)nc5)n34)cc2)n1,CFKSGUAIHZTRKC-UHFFFAOYSA-N,2,1,0.333,38,532,468.908,4.871,6,0.363,0.7,1.0,0.22167774655609623,0.32226201082859296,0.47327119457199646,0.45327599204989377,0.3676217360016448
EOS-2-27683,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccnn6C)cc5Cl)n34)cc2)o1,YFCQLJCOUPAIFZ-UHFFFAOYSA-N,2,1,0.321,42,303,468.908,4.871,6,0.363,0.67,1.0,0.2327804811184977,0.31737029675827566,0.5815571242546775,0.5563617983688575,0.4220174251250771
EOS-2-27684,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)c(Cl)c5)n34)cc2)cn1,LCYZNAVLHPUZFW-UHFFFAOYSA-N,2,1,0.483,41,722,468.908,5.028,6,0.381,0.72,1.0,0.46105475978342814,0.6104876293605648,0.7838479199506545,0.7729165238845864,0.6570767082448085
EOS-2-27685,Cn1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)cc1Cl,QLWSUIGCLBTDCU-UHFFFAOYSA-N,2,1,0.351,25,791,468.912,3.703,6,0.388,0.75,1.0,0.19409224864642588,0.3018984305393736,0.30833219107669113,0.38690802549516823,0.2978077239394147
EOS-2-27686,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cn2)n(C)n1,RTHURTAWURVNMS-UHFFFAOYSA-N,2,1,0.312,10,664,468.912,3.796,6,0.362,0.69,0.982,0.024647042697553287,0.16568432595435542,0.2831368651908711,0.30416866561579053,0.19440922486464257
EOS-2-27687,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)c(Cn5cccn5)c4)n23)c1,VIHARRJOOPOHEP-UHFFFAOYSA-N,2,1,0.294,25,791,468.912,3.547,6,0.381,0.73,1.0,0.17700980056199025,0.2812949763552875,0.34142622164347886,0.45003769446919334,0.31244217325748747
EOS-2-27688,Cn1cc(-c2cc(-c3cncc4nnc(-c5c(-c6ccccc6)ncn5C)n34)c(Cl)cn2)nn1,HHVOFVLJZLMIRE-UHFFFAOYSA-N,2,1,0.273,10,342,468.912,3.703,6,0.388,0.64,0.128,0.06244431498869166,0.16967651291892263,0.2005003084092934,0.30417723254060725,0.18419959221437873
EOS-2-27689,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c2)nn1,YTWNAVJIMYHWGX-UHFFFAOYSA-N,2,1,0.297,70,369,468.912,3.703,6,0.388,0.67,1.0,0.10386539647728052,0.235042149270098,0.3567267493660476,0.3932818175587691,0.27222902816804884
EOS-2-27690,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccc(Cl)nc6)nn5C)n34)cc2)n[nH]1,LJFURWBXDKVDTM-UHFFFAOYSA-N,2,1,0.301,98,7,468.912,4.001,6,0.389,0.77,1.0,0.06790144609690905,0.25055685011308343,0.3378024124460284,0.3546107189363306,0.25271785689808784
EOS-2-27691,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cn2)nn1,PWLMORLFVXLIDX-UHFFFAOYSA-N,2,1,0.321,98,42,468.912,3.703,6,0.388,0.73,1.0,0.1441899115893359,0.2003718045370434,0.35673531629086425,0.3932903844835858,0.27364685422520735
EOS-2-27692,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)cc1F,RUANEQFCIYFHDD-UHFFFAOYSA-N,2,1,0.625,88,80,468.916,6.073,5,0.303,0.71,1.0,0.9333664587759578,0.9466451922417929,0.9588102254814612,0.9693732437804126,0.9520487800699062
EOS-2-27693,CC1(C)COCN1Cc1ccc(F)cc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,XVJPEATUZWLUBO-UHFFFAOYSA-N,2,1,0.505,90,636,468.92,4.126,5,0.421,0.6,0.998,0.42892879172092385,0.457627989856761,0.52524672743472,0.597020423548763,0.502205983140292
EOS-2-27694,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1nc(C)no1,KANVMWTYALMSEL-UHFFFAOYSA-N,2,1,0.505,15,771,468.926,4.495,5,0.344,0.8,1.0,0.7689500376944692,0.6680830649030224,0.3120673702967583,0.2589010348845179,0.5020003769446919
EOS-2-27695,COc1cc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)ccc1-c1nnc(C)o1,BLKDCLRGICNVAF-UHFFFAOYSA-N,2,1,0.529,15,925,468.926,4.495,5,0.344,0.66,1.0,0.7060945103145775,0.6055873483654307,0.3603162908642314,0.29780344047700635,0.4924503975053115
EOS-2-27696,Cn1nc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)ccn2)cc1CO,BHUQXKPRYRYWQI-UHFFFAOYSA-N,2,1,0.463,75,241,468.93,2.811,5,0.387,0.56,0.998,0.40171167157837023,0.40375916660955385,0.10791755191556439,0.12607943252690015,0.25986695565759715
EOS-2-27697,COCCn1cc(-c2ncc(-c3nnc4cncc(OCc5nccs5)n34)cc2Cl)cn1,WSRAATAUXGWBEG-UHFFFAOYSA-N,2,1,0.544,92,860,468.93,3.385,5,0.341,0.62,1.0,0.27301076005756975,0.3173788636830923,0.12217291481049962,0.13915255979713523,0.21292877458707424
EOS-2-27698,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)s2)n1,KLVXCMXVYUGINL-UHFFFAOYSA-N,2,1,0.333,30,371,468.933,5.087,6,0.332,0.62,0.505,0.13079124117606744,0.27116887122198613,0.23220649715578096,0.40545541772325405,0.25990550681927216
EOS-2-27699,Clc1cccc(-c2nnccc2-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c1,HBHYIYYOKWOKMZ-UHFFFAOYSA-N,2,1,0.349,32,572,468.933,5.087,6,0.355,0.55,1.0,0.16071550956068809,0.3314114865327942,0.5352871633198547,0.647462476869303,0.41871915907066004
EOS-2-27700,Clc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cc2)cs1,IBPNJCMBNBGTER-UHFFFAOYSA-N,2,1,0.325,38,725,468.933,5.087,6,0.355,0.71,1.0,0.14996401891577,0.28673497361387157,0.6792029333150572,0.7346138030292646,0.46262893221849083
EOS-2-27701,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cn2)cn1,KIGCIAMJXCHGNC-UHFFFAOYSA-N,2,1,0.357,42,723,468.933,5.087,6,0.332,0.73,1.0,0.20243643341786033,0.4037677335343705,0.6128949352340484,0.653005277225687,0.4680260948529916
EOS-2-27702,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)cn2)cn1,KRGNDRNOHCRRKE-UHFFFAOYSA-N,2,1,0.342,32,392,468.933,5.087,6,0.332,0.68,1.0,0.19982352134877665,0.35609279692961415,0.612903502158865,0.6558923308889041,0.45617803783154
EOS-2-27703,Clc1sncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cn1,DDUDOXIGGSXPSC-UHFFFAOYSA-N,2,1,0.36,32,687,468.933,5.087,6,0.355,0.67,1.0,0.19147076965252552,0.2867435405386882,0.4972243163593996,0.5786957713659104,0.38853359947913096
EOS-2-27704,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)s2)cc1,LNNZIIGUEMCFKQ-UHFFFAOYSA-N,2,1,0.382,30,641,468.933,5.087,6,0.355,0.75,1.0,0.14130285792611885,0.37043382907271605,0.3304948255774107,0.49629052155438286,0.33463050853265713
EOS-2-27705,Clc1ccc(-c2nnc3cncc(-c4cnc(-c5csnn5)cn4)n23)cc1-c1ccccc1,IDMDIPROTWZATQ-UHFFFAOYSA-N,2,1,0.356,30,594,468.933,5.087,6,0.355,0.69,1.0,0.14997258584058668,0.39407854156671923,0.5688523747515591,0.7075594544582277,0.45511573915427317
EOS-2-27706,Clc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cn2)cc1,VYBLRHRUAHALED-UHFFFAOYSA-N,2,1,0.408,3,594,468.933,5.087,6,0.355,0.78,1.0,0.09392776368994586,0.3654907134534987,0.6190716880268659,0.7158094030566787,0.4485748920567473
EOS-2-27707,Clc1cc(-c2cccnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)s3)n12,CJQAKPXYAGZDOR-UHFFFAOYSA-N,2,1,0.293,76,596,468.933,5.087,6,0.355,0.69,1.0,0.19697930230964292,0.31738743060790897,0.5655626756219587,0.6503666643821534,0.43257401823041597
EOS-2-27708,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)s2)cc1,WGNXASGKGMYHBQ-UHFFFAOYSA-N,2,1,0.366,32,572,468.933,5.087,6,0.355,0.75,0.995,0.09169179631279556,0.38002021794256735,0.43422315125762456,0.5787043382907272,0.3711598759509287
EOS-2-27709,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncs5)cn4)n23)nc1,YOGWGNPVZCTRMH-UHFFFAOYSA-N,2,1,0.355,32,572,468.933,5.087,6,0.355,0.76,1.0,0.09170036323761223,0.3070557192790076,0.5352957302446714,0.6530138441505038,0.3967664142279487
EOS-2-27710,Clc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)n1,CNUUOLSIXMKJAU-UHFFFAOYSA-N,2,1,0.347,9,98,468.933,5.087,6,0.355,0.73,1.0,0.1801195942704407,0.34639503803714616,0.6009697758892468,0.6530224110753204,0.4451267048180385
EOS-2-27711,Clc1nnccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)nc1,KQRTVIXGZOBDRY-UHFFFAOYSA-N,2,1,0.342,38,787,468.933,5.087,6,0.355,0.67,1.0,0.2161435131245288,0.3411777808237955,0.5815656911794942,0.6328387362072511,0.44293143033376736
EOS-2-27712,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)s2)nc1,PAZKSFQXIYQECR-UHFFFAOYSA-N,2,1,0.338,38,983,468.933,5.087,6,0.355,0.65,1.0,0.2569220752518676,0.3940871084915359,0.46992152696867934,0.5433914741964224,0.4160805462271263
EOS-2-27713,Clc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)cn1,QRTGNYWFFGOUJZ-UHFFFAOYSA-N,2,1,0.37,32,126,468.933,5.087,6,0.355,0.66,1.0,0.15265403330820368,0.3511325474607635,0.5150263861284353,0.5754232060859434,0.3985590432458365
EOS-2-27714,Clc1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cc1,LDGHKZWEOHYXTE-UHFFFAOYSA-N,2,1,0.385,3,38,468.933,5.087,6,0.355,0.65,1.0,0.2216863134809129,0.4178688917826057,0.572416215475293,0.6939037763004592,0.47646879925981767
EOS-2-27715,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ccc2F)cn1,OROIDOWTTWJKCT-UHFFFAOYSA-N,2,1,0.553,37,545,468.945,5.15,5,0.33,0.65,1.0,0.6166900829278322,0.6631656500582551,0.7032160235761771,0.7158179699814955,0.6747224316359399
EOS-2-27716,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1F,MLUBXXXNWJVABX-UHFFFAOYSA-N,2,1,0.512,37,639,468.945,4.976,5,0.351,0.77,0.999,0.6696765129189226,0.7787248989102872,0.6601672263724213,0.6559008978137207,0.6911173840038379
EOS-2-27717,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1F,LHCAZOKXYPMOPQ-UHFFFAOYSA-N,2,1,0.474,26,125,468.945,5.15,5,0.33,0.76,1.0,0.8084264272496745,0.787394626824755,0.6708844493180728,0.682381262422041,0.7372716914536358
EOS-2-27718,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)ccc1F,DKJHUHHDUUULJG-UHFFFAOYSA-N,2,1,0.528,26,125,468.945,5.15,5,0.33,0.6,0.999,0.7393513124528819,0.7165889932149956,0.7133763964087451,0.7184994174491125,0.7219540298814338
EOS-2-27719,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,SOGYHIDLUQHVTK-UHFFFAOYSA-N,2,1,0.479,26,448,468.945,5.15,5,0.33,0.71,1.0,0.6480964293057364,0.6485590432458365,0.6601757932972381,0.6732403536426564,0.6575179048728669
EOS-2-27720,CCn1c(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2F)cnc1C,QQWIRWNXZDGSMR-UHFFFAOYSA-N,2,1,0.495,4,554,468.945,5.416,5,0.333,0.67,1.0,0.6393410321431019,0.6827410732643411,0.6190802549516825,0.6125008566924817,0.6384158042629018
EOS-2-27721,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cc2F)c1,FTFLXIHGUSAAPL-UHFFFAOYSA-N,2,1,0.557,26,626,468.945,5.15,5,0.33,0.6,1.0,0.7363271879925982,0.7210694948941128,0.7032245905009937,0.6964652868206429,0.7142716400520868
EOS-2-27722,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccc2F)cn1,RIZOAYLIECCRFB-UHFFFAOYSA-N,2,1,0.495,37,394,468.945,5.15,5,0.33,0.66,1.0,0.6305342334315674,0.697416215475293,0.6628229730655884,0.6792800356384072,0.667513364402714
EOS-2-27723,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)s1,VAFFARXKFYPIKQ-UHFFFAOYSA-N,2,1,0.364,93,74,468.973,6.241,6,0.307,0.68,1.0,0.227434720032897,0.37533411006785006,0.7343910629840312,0.806995750805291,0.5360389109725173
EOS-2-27724,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(-c5cccs5)c4)n23)cc1,CESPASOOLJZQDW-UHFFFAOYSA-N,2,1,0.329,9,867,468.973,6.241,6,0.307,0.63,1.0,0.3282674251250771,0.4178774587074224,0.8111164416421082,0.8397813720786786,0.5992606743883215
EOS-2-27725,CC1(n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)cn2)CCCCC1,SRVMUEDBOULACV-UHFFFAOYSA-N,2,1,0.367,52,376,468.992,6.655,6,0.296,0.63,1.0,0.1688540881365225,0.3123243780412583,0.1192258926735659,0.5132358988417518,0.27841006442327465
EOS-2-27726,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1nccs1,BMNYLJUEXCGREP-UHFFFAOYSA-N,2,1,0.462,58,954,468.995,5.209,5,0.326,0.6,0.505,0.5851209649784114,0.6827496401891577,0.15171167157837023,0.2002090329655267,0.4049478274278665
EOS-2-27727,CSc1nccc(-c2ccc(-c3nnc4cncc(-c5cccc(Cl)c5)n34)cc2)n1,MNVNDDASFCWYDW-UHFFFAOYSA-N,2,1,0.38,9,558,430.924,5.291,5,0.285,0.86,1.0,0.26516345692550203,0.3989274210129532,0.6765728873963403,0.7426067438832157,0.5208176273045028
EOS-2-27728,Clc1sccc1CCOc1cncc2nnc(-c3csc(-c4ncon4)c3)n12,IWSZOINVIGBQFR-UHFFFAOYSA-N,2,1,0.506,65,262,430.902,4.239,5,0.398,0.6,1.0,0.4882804468507984,0.42664142279487355,0.24644472620108285,0.3195719964361593,0.3702346480707286
EOS-2-27729,Cc1c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccccc2)nn1C,UEKMEBPSIJLMPJ-UHFFFAOYSA-N,2,1,0.615,43,372,430.899,4.733,5,0.403,0.75,1.0,0.6907168802686587,0.8156483448701254,0.4663062846960455,0.5434000411212391,0.6290178877390172
EOS-2-27730,Cc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1cnn(C)c1C,LVPOKQSHBYXZBR-UHFFFAOYSA-N,2,1,0.612,13,15,430.899,5.254,5,0.389,0.81,1.0,0.3865996162017682,0.5432629703241725,0.7264752244534302,0.6992152696867933,0.588888270166541
EOS-2-27731,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)n[nH]1,DZTSXSZQMCJZIV-UHFFFAOYSA-N,2,1,0.704,91,273,430.899,4.765,5,0.42,0.75,1.0,0.9504146391611267,0.9401771640052087,0.7392142416558152,0.7476697964498663,0.8443689603180042
EOS-2-27732,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cn1,CJNNQUHJFZFVIH-UHFFFAOYSA-N,2,1,0.714,91,322,430.899,4.467,5,0.397,0.81,1.0,0.5570385854293742,0.7210780618189295,0.7629531903228017,0.7681618806113357,0.7023079295456103
EOS-2-27733,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)n1,BODJKFLWLYCWSC-UHFFFAOYSA-N,2,1,0.775,91,660,430.899,4.467,5,0.397,0.78,1.0,0.8968542252073196,0.92477383318484,0.7343996299088479,0.7264409567541635,0.8206171612637928
EOS-2-27734,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,ZJTFHXVZQYHLDW-UHFFFAOYSA-N,2,1,0.764,91,660,430.899,4.467,5,0.397,0.76,1.0,0.9209701185662394,0.9003923651566034,0.7699780686724693,0.7631159618943184,0.8386141285724077
EOS-2-27735,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5ccnn5C)c4)n23)ccc1Cl,XWDGLSFVMSZQMZ-UHFFFAOYSA-N,2,1,0.561,43,909,430.899,4.733,5,0.403,0.71,1.0,0.660381399492838,0.744482900418066,0.8167963127955589,0.7824086765814543,0.7510173223219793
EOS-2-27736,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,VRABWNMWTIMHSC-UHFFFAOYSA-N,2,1,0.679,91,660,430.899,4.467,5,0.397,0.78,1.0,0.9273953121787403,0.8606932355561647,0.7582756493729012,0.7580015077787677,0.8260914262216434
EOS-2-27737,Cn1nc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1-c1ccc(Cl)cc1,OLIYJVHAPKJZKX-UHFFFAOYSA-N,2,1,0.688,19,266,430.899,4.467,5,0.397,0.85,1.0,0.6540247412788706,0.6827582071139744,0.5815742581043108,0.6559094647385375,0.6435666678089234
EOS-2-27739,CCn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,XTTKEBXOLNYLOL-UHFFFAOYSA-N,2,1,0.676,43,322,430.899,4.907,5,0.383,0.77,1.0,0.6220958124871496,0.7953961346035228,0.7629617572476184,0.7552343910629841,0.7339220238503187
EOS-2-27740,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cc2)cn1,JENSERGCQBBRHF-UHFFFAOYSA-N,2,1,0.707,91,322,430.899,4.467,5,0.397,0.81,1.0,0.7803611815502707,0.8692687272976493,0.7769344116236035,0.7729250908094031,0.7998723528202316
EOS-2-27741,Cc1ccc(-c2nnc3cncc(OCc4c(-c5ccc(Cl)cc5)ncn4C)n23)cc1,MWXSPOCOALSCSO-UHFFFAOYSA-N,2,1,0.561,43,372,430.899,4.733,5,0.403,0.75,1.0,0.7689586046192859,0.7954047015283394,0.6460575011993694,0.6617092728394216,0.718032520046604
EOS-2-27742,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c1,UBFTYDBFFJDDKA-UHFFFAOYSA-N,2,1,0.659,91,660,430.899,4.467,5,0.397,0.77,1.0,0.757144815297101,0.7165975601398122,0.7419470906723322,0.7501970392707834,0.7414716263450073
EOS-2-27743,CCn1cnc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccccc3)n12,LIPBDNJUHXBUEV-UHFFFAOYSA-N,2,1,0.53,1,372,430.899,4.907,5,0.383,0.69,1.0,0.672632101980673,0.7026163388390103,0.5007710232335001,0.5787129052155439,0.6136830923171819
EOS-2-27744,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)cn1,VHFFKUWASTXTBS-UHFFFAOYSA-N,2,1,0.76,91,322,430.899,4.467,5,0.397,0.83,1.0,0.80023644712494,0.857335001028031,0.7745870742238367,0.7729336577342197,0.8012730450277569
EOS-2-27745,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)c1,WNLHVZRUFYWKNT-UHFFFAOYSA-N,2,1,0.696,91,742,430.899,4.467,5,0.397,0.77,1.0,0.7661829209786855,0.7787334658351038,0.7187735590432458,0.7289853334247138,0.7481688198204371
EOS-2-27746,Cc1c(COc2cncc3nnc(-c4ccccc4Cl)n23)c(-c2ccccc2)nn1C,HSRBMKOBTVPIBE-UHFFFAOYSA-N,2,1,0.549,43,700,430.899,4.733,5,0.403,0.73,1.0,0.3819392091015009,0.5763998355150435,0.41916249742992256,0.5094064834487012,0.47172700637379206
EOS-2-27747,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)cc2)cn1,OIQFFOCVDHKBBX-UHFFFAOYSA-N,2,1,0.554,43,230,430.899,4.826,5,0.399,0.77,1.0,0.5820540058940443,0.62435748063875,0.8330563360975944,0.7803440477006374,0.7049529675827566
EOS-2-27748,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)cc2)cc1,ARKYUYHIWSSNEV-UHFFFAOYSA-N,2,1,0.781,83,23,430.87,5.83,5,0.352,0.89,1.0,0.9901908710849153,0.9885545884449318,0.9703241724350627,0.9792166403947639,0.9820715680899185
EOS-2-27749,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1-c1ccccc1,XRUKJPOYIGXRAA-UHFFFAOYSA-N,2,1,0.765,83,23,430.87,5.83,5,0.352,0.86,1.0,0.9938318141319992,0.9944486327187992,0.965158316770612,0.9753443903776301,0.9821957884997601
EOS-2-27750,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1Cl,ZQTRVFIHAYTMCJ-UHFFFAOYSA-N,2,1,0.815,12,650,430.87,5.83,5,0.352,0.87,1.0,0.9918528544993489,0.984913645397848,0.9680282365841958,0.9753529573024468,0.9800369234459598
EOS-2-27751,Fc1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,RDOMIEQJATUXGK-UHFFFAOYSA-N,2,1,0.622,12,23,430.87,5.83,5,0.352,0.85,1.0,0.9818124186142142,0.9812127338770475,0.9642073881159618,0.9745648002193132,0.9754493352066342
EOS-2-27752,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)c4)n23)cc1Cl,HFWRIGFDDHGFDH-UHFFFAOYSA-N,2,1,0.658,79,650,430.87,5.83,5,0.352,0.83,1.0,0.9759869097388801,0.9819666232609142,0.9655523953121787,0.9741535878281132,0.9744148790350216
EOS-2-27753,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)cc4)n23)cc1,XSVRLBWYNNDBNH-UHFFFAOYSA-N,2,1,0.725,83,23,430.87,5.83,5,0.352,0.87,1.0,0.9842711260365979,0.9887944623397985,0.9684394489753958,0.9785484202590639,0.980013364402714
EOS-2-27754,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)c2)cc1,SJUGPSNSQVEAMG-UHFFFAOYSA-N,2,1,0.627,57,23,430.87,5.83,5,0.352,0.83,1.0,0.9619457199643616,0.9737680762113632,0.9660407100267288,0.9778116647248304,0.969891542731821
EOS-2-27755,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1,UVYRIEYFIVXDDN-UHFFFAOYSA-N,2,1,0.725,83,23,430.87,5.83,5,0.352,0.86,1.0,0.9857275032554315,0.9939260503049825,0.9684480159002125,0.9785569871838805,0.9816646391611268
EOS-2-27756,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)c1,DJXYDYQJWCCVLT-UHFFFAOYSA-N,2,1,0.694,57,23,430.87,5.83,5,0.352,0.84,1.0,0.9643958604619286,0.9693218422315126,0.9655609622369954,0.9769978068672469,0.9690691179494209
EOS-2-27757,Fc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)cc3)n12,OAPQLQLNGOPVQH-UHFFFAOYSA-N,2,1,0.686,83,23,430.87,5.83,5,0.352,0.86,1.0,0.9894198478514152,0.9890857377835652,0.9684565828250291,0.9781886094167638,0.9812876944691933
EOS-2-27758,Fc1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,HTGICHFVLTULBS-UHFFFAOYSA-N,2,1,0.7,83,23,430.87,5.83,5,0.352,0.86,1.0,0.9940545541772325,0.9948855458844493,0.9642159550407786,0.9761839490096635,0.9823350010280311
EOS-2-27759,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccccc1,CXDRGDQSGHGSDH-UHFFFAOYSA-N,2,1,0.729,83,23,430.87,5.83,5,0.352,0.86,1.0,0.990199438009732,0.9933006647933658,0.9651668836954287,0.9757641696936468,0.9811077890480433
EOS-2-27760,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,RSLVSLHWSYAFPT-UHFFFAOYSA-N,2,1,0.622,12,650,430.87,5.83,5,0.352,0.85,1.0,0.9854876293605648,0.9800818998012474,0.965569529161812,0.9732711945719964,0.9761025632239051
EOS-2-27761,Fc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,IDTWKKXZOCYEBQ-UHFFFAOYSA-N,2,1,0.627,57,23,430.87,5.83,5,0.352,0.84,1.0,0.9655866630114454,0.9725944075114796,0.9660492769515455,0.9770063737920636,0.9703091803166335
EOS-2-27762,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)cc1,XQWOYISCEDWJMM-UHFFFAOYSA-N,2,1,0.761,83,23,430.87,5.83,5,0.352,0.89,1.0,0.990019532588582,0.9876207936399151,0.9680368035090124,0.9781971763415804,0.9809685765197724
EOS-2-27763,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(Cl)c1,VEGZWNFXVQZPGF-UHFFFAOYSA-N,2,1,0.622,12,23,430.87,5.83,5,0.352,0.85,1.0,0.9793879788910973,0.9809128915084642,0.9647299705297786,0.9745733671441299,0.9749010520183674
EOS-2-27764,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1,WEMUAIXAXGIMOI-UHFFFAOYSA-N,2,1,0.735,83,23,430.87,5.83,5,0.352,0.85,1.0,0.9891628401069152,0.9934463025152491,0.9684651497498458,0.9789082311013638,0.9824956308683436
EOS-2-27765,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c1,WKOSSDXGHZSWDT-UHFFFAOYSA-N,2,1,0.761,83,23,430.87,5.83,5,0.352,0.85,1.0,0.9903707765060654,0.9881862106778151,0.9680453704338291,0.9782057432663971,0.9812020252210267
EOS-2-27766,Fc1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccc(Cl)cc4)n23)cc1,OGGUUUWAVYCJRB-UHFFFAOYSA-N,2,1,0.7,83,23,430.87,5.83,5,0.352,0.86,1.0,0.9932578301692825,0.9902851072578988,0.9642245219655953,0.9761925159344802,0.9809899938318142
EOS-2-27767,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1,LFXQWPFGPKPNJH-UHFFFAOYSA-N,2,1,0.781,83,23,430.87,5.83,5,0.352,0.89,1.0,0.9902080049345487,0.9885631553697485,0.9703327393598794,0.9792252073195805,0.9820822767459393
EOS-2-27768,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)cc2)cc1,GXLSCEQBEZMVMB-UHFFFAOYSA-N,2,1,0.686,83,23,430.87,5.83,5,0.352,0.85,1.0,0.988057706805565,0.9888030292646152,0.9684737166746624,0.9789167980261805,0.9810628126927557
EOS-2-27769,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)cc1,TWEMYPHKXGKVMQ-UHFFFAOYSA-N,2,1,0.7,57,23,430.87,5.83,5,0.352,0.89,1.0,0.9705640463299294,0.9686621890206292,0.9680539373586458,0.9782143101912137,0.9713736207251045
EOS-2-27770,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)cn1,HVTMMUWZMDSOOA-UHFFFAOYSA-N,2,1,0.506,58,981,430.859,3.313,5,0.378,0.7,1.0,0.8314457542320609,0.8882101980673017,0.40492426838462064,0.42474813241038994,0.6373320882735933
EOS-2-27771,Clc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)c1,HKHNNKRGWVPBTE-UHFFFAOYSA-N,2,1,0.495,87,631,430.859,3.313,5,0.404,0.66,1.0,0.6362826399835515,0.7304074429442807,0.48358577205126446,0.5196782263038859,0.5924885203207457
EOS-2-27772,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1,GKQNMSVEBLEPNK-UHFFFAOYSA-N,2,1,0.489,87,324,430.859,3.313,5,0.378,0.76,1.0,0.6907254471934754,0.8512439174833801,0.32687101637996024,0.3579346857651977,0.5566937667055034
EOS-2-27773,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)nc1,LYJCEFJTFBWGST-UHFFFAOYSA-N,2,1,0.527,87,307,430.859,3.313,5,0.404,0.67,1.0,0.7028133781097937,0.8607018024809814,0.4266842574189569,0.4470649715578096,0.6093161023918854
EOS-2-27774,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)cn1,YBZSCOONJBEJPJ-UHFFFAOYSA-N,2,1,0.506,51,19,430.859,3.579,5,0.416,0.75,1.0,0.8213282160235762,0.8078952779110411,0.3904375985196354,0.3743403467891166,0.5985003598108424
EOS-2-27775,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)n1,IAHFQOJZIQMIPV-UHFFFAOYSA-N,2,1,0.484,58,954,430.859,3.313,5,0.378,0.74,1.0,0.7061030772393941,0.8412720169967788,0.34526420396134605,0.37094784456171614,0.5658967856898087
EOS-2-27776,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2)cn1,FOLUGZRJPYCLNT-UHFFFAOYSA-N,2,1,0.477,54,411,430.859,3.313,5,0.378,0.71,1.0,0.7334658351038311,0.7874031937495717,0.3979079569597697,0.4404170379000754,0.589798505928312
EOS-2-27777,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncncn5)cc4)n23)ccn1,CJCULKRXBRVXRF-UHFFFAOYSA-N,2,1,0.595,15,626,430.859,3.313,5,0.378,0.74,1.0,0.9637961757247618,0.9389006922075251,0.48734665204578165,0.47795730244671375,0.7170002056061957
EOS-2-27778,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)cn1,MRJQXVOGSJFJHN-UHFFFAOYSA-N,2,1,0.517,75,441,430.859,3.579,5,0.39,0.71,1.0,0.5057141388527174,0.5710626413542594,0.4231375505448564,0.39329895140840243,0.47330332054005897
EOS-2-27779,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2)nn1,ZKYWHMGUJDCTSZ-UHFFFAOYSA-N,2,1,0.435,46,62,430.859,3.579,5,0.416,0.75,0.997,0.5880594201905284,0.557509766294291,0.4302223973682407,0.4281235007881571,0.5009787711603043
EOS-2-27780,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cn1,OIVLFMCMBORNBV-UHFFFAOYSA-N,2,1,0.537,65,324,430.859,3.313,5,0.378,0.71,1.0,0.7945308751970392,0.8882187649921184,0.42314611746967307,0.42813206771297374,0.6335069563429511
EOS-2-27781,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)n1,YSNNTTBOMHFUDK-UHFFFAOYSA-N,2,1,0.535,75,420,430.859,3.579,5,0.39,0.7,1.0,0.6818158453841409,0.5526523199232404,0.3941385100404359,0.3678980193269824,0.49912617366869994
EOS-2-27782,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)n1,FRQKVYFWKYNKRE-UHFFFAOYSA-N,2,1,0.427,18,194,430.859,3.313,5,0.378,0.75,0.999,0.5131844972928518,0.5157460078130355,0.3305033925022274,0.377681447467617,0.43427883626893293
EOS-2-27783,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)cn1,LAZMRLZKQCRIOO-UHFFFAOYSA-N,2,1,0.482,18,949,430.859,3.313,5,0.378,0.69,1.0,0.7334744020286478,0.6729148104996231,0.33781097937084503,0.36154992803783154,0.5264375299842369
EOS-2-27784,Clc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ccncn1,UWRFJBDDYGYSST-UHFFFAOYSA-N,2,1,0.466,18,578,430.859,3.313,5,0.378,0.71,1.0,0.7393598793776985,0.7166061270646289,0.39791652388458637,0.4183486395723391,0.5680577924748133
EOS-2-27785,Cc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(-c2cnccn2)n1,CQTGIFHFYVXLCP-UHFFFAOYSA-N,2,1,0.5,55,540,430.859,3.579,5,0.416,0.64,0.988,0.6510434514426702,0.677840792269207,0.39044616544445204,0.39945000342676995,0.5296951031457748
EOS-2-27786,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)n1,HMTYBKFXBUCKFU-UHFFFAOYSA-N,2,1,0.474,87,173,430.859,3.313,5,0.378,0.75,1.0,0.6305428003563841,0.8377424439723117,0.39414707696525253,0.4183572064971558,0.570197381947776
EOS-2-27787,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)ccn2)cc1,QQDJICRCZRHTJD-UHFFFAOYSA-N,2,1,0.548,37,563,430.859,3.313,5,0.404,0.79,1.0,0.8108594338976081,0.8195120279624426,0.3794719347543006,0.4842968268110479,0.6235350558563497
EOS-2-27788,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccnc(-c4cccnn4)n3)n12,ZUHDDJIKBNXFIR-UHFFFAOYSA-N,2,1,0.484,4,29,430.859,3.579,5,0.416,0.74,1.0,0.559728599821808,0.7703892810636694,0.3268795833047769,0.3647025563703653,0.5054250051401549
EOS-2-27789,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nc1,DKXIMHTWMGRRLW-UHFFFAOYSA-N,2,1,0.5,54,411,430.859,3.313,5,0.404,0.69,0.992,0.6393495990679186,0.692567336029059,0.3011274073058735,0.37434891371393325,0.501848314029196
EOS-2-27790,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)cn1,CDYHFGDESJUTAD-UHFFFAOYSA-N,2,1,0.455,18,324,430.859,3.313,5,0.378,0.68,1.0,0.6248543622781166,0.6290264546638339,0.4191710643547392,0.43441162360359126,0.5268658762250703
EOS-2-27791,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)n1,ADAGIIISIJVCTQ-UHFFFAOYSA-N,2,1,0.457,44,481,430.859,3.313,5,0.378,0.74,0.998,0.582062572818861,0.5386282639983552,0.25378658076896715,0.3104996230553081,0.42124426016037286
EOS-2-27792,Clc1ccnc(CCOc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)c1,NUXNYONIYZTBPN-UHFFFAOYSA-N,2,1,0.5,87,304,430.859,3.313,5,0.404,0.72,0.999,0.6481049962305531,0.668091631827839,0.2716400520869029,0.34838256459461314,0.48405481118497706
EOS-2-27793,Clc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)c1,ZJPGRTFEHOQVAC-UHFFFAOYSA-N,2,1,0.442,18,367,430.859,3.313,5,0.404,0.68,0.93,0.562564251936125,0.5962322664656295,0.4231546843944898,0.47207182509766293,0.5135057569734768
EOS-2-27794,Clc1ccc(CCOc2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cn1,LZHGEWWEKXHCOV-UHFFFAOYSA-N,2,1,0.494,19,54,430.859,3.313,5,0.378,0.68,1.0,0.6696850798437393,0.5816684942772942,0.25379514769378386,0.36471112329518196,0.4674649612774998
EOS-2-27795,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cn4)n23)cn1,CPHVZPFKUMPPIA-UHFFFAOYSA-N,2,1,0.451,18,773,430.859,3.313,5,0.378,0.67,1.0,0.760083270509218,0.7703978479884861,0.4342317181824412,0.437332944966075,0.600511445411555
EOS-2-27796,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ccncn5)c4)n23)n1,IUEFFOJRDCCFED-UHFFFAOYSA-N,2,1,0.505,75,819,430.859,3.313,5,0.378,0.7,1.0,0.7150897813720787,0.702624905763827,0.3567438832156809,0.38067987115345076,0.5387846103762594
EOS-2-27797,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)cn1,QMSGYRNIZIMGKQ-UHFFFAOYSA-N,2,1,0.542,75,496,430.859,3.313,5,0.378,0.7,1.0,0.7776626002330204,0.7614711123295183,0.5007795901583167,0.4962990884791995,0.6340530978000137
EOS-2-27798,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)ccn1,VBIVUQWBVRZFNK-UHFFFAOYSA-N,2,1,0.542,75,496,430.859,3.313,5,0.378,0.64,1.0,0.7600918374340346,0.7662771571516689,0.515034953053252,0.5132444657665685,0.6386621033513811
EOS-2-27799,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)cn1,AGPSCZDUGXKKQW-UHFFFAOYSA-N,2,1,0.506,58,981,430.859,3.313,5,0.378,0.67,1.0,0.8084349941744912,0.8827187992598177,0.4415478719758755,0.44042560482489207,0.6432818175587691
EOS-2-27800,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,GYNMRHPCIOMAFV-UHFFFAOYSA-N,2,1,0.387,18,181,430.859,3.579,5,0.39,0.67,1.0,0.5416266876841889,0.5432715372489891,0.4628195462956617,0.4311304913988075,0.4947120656569118
EOS-2-27801,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)n1,ONHIYRCAEWOHLV-UHFFFAOYSA-N,2,1,0.483,16,55,430.859,3.579,5,0.39,0.74,1.0,0.6194143650195326,0.6243660475635666,0.43023096429305735,0.4344201905284079,0.5271078918511412
EOS-2-27802,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)nn1,MDXMSTASGNKWCP-UHFFFAOYSA-N,2,1,0.476,72,19,430.859,3.579,5,0.416,0.71,1.0,0.656980330340621,0.7210866287437462,0.33445274484271126,0.3418460009594956,0.5135914262216434
EOS-2-27803,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2)n1,PWBFXUFDSQRVNH-UHFFFAOYSA-N,2,1,0.415,46,62,430.859,3.579,5,0.416,0.73,1.0,0.6569888972654376,0.5869200191899115,0.43787266122952506,0.43113905832362415,0.5282301590021246
EOS-2-27804,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)ccn1,RXQPWGFXHAEQBX-UHFFFAOYSA-N,2,1,0.455,18,181,430.859,3.313,5,0.378,0.69,1.0,0.6248629292029333,0.6433503529573025,0.430239531217874,0.45004626139401,0.5371247686930299
EOS-2-27805,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)n1,BKVCWTNJIFSLAV-UHFFFAOYSA-N,2,1,0.478,7,99,430.859,3.579,5,0.416,0.67,1.0,0.684831402919608,0.5915975601398122,0.44859845109999313,0.4404341717497087,0.5413653964772805
EOS-2-27806,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)ccn1,AIUIWQVYQDZIDU-UHFFFAOYSA-N,2,1,0.477,18,194,430.859,3.313,5,0.378,0.68,1.0,0.5967891165787129,0.5575183332191077,0.4378812281543417,0.4626396408745117,0.5137070797066685
EOS-2-27807,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)nc1,RSHWQBPLONAHLQ-UHFFFAOYSA-N,2,1,0.453,2,131,430.859,3.579,5,0.39,0.69,1.0,0.6758532657117401,0.6485676101706531,0.4486070180248098,0.4281406346377904,0.5502921321362484
EOS-2-27808,Clc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4cncnc4)c3)n12,FTXNSSXUZUPDDF-UHFFFAOYSA-N,2,1,0.517,2,419,430.859,3.313,5,0.404,0.69,1.0,0.6848399698444246,0.7614796792543349,0.5688609416763758,0.5879394832430951,0.6507800185045576
EOS-2-27809,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2)nn1,WEGPYJPIMGCFSP-UHFFFAOYSA-N,2,1,0.467,72,22,430.859,3.579,5,0.416,0.73,1.0,0.585129531903228,0.6974247824001096,0.3868137893221849,0.3836183263655678,0.5132466074977726
EOS-2-27810,Clc1cc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1-c1ccnnc1,LKFWVCWNJRCMEG-UHFFFAOYSA-N,2,1,0.529,72,202,430.859,3.313,5,0.404,0.68,1.0,0.777671167157837,0.9094818723870879,0.46631485162086217,0.5261376876156535,0.6699013946953603
EOS-2-27811,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)cn1,ZHIFBUKPMBSXET-UHFFFAOYSA-N,2,1,0.512,65,76,430.859,3.313,5,0.378,0.68,1.0,0.7776797340826537,0.8802258241381674,0.49048214652868205,0.48702110890274825,0.6588522034130628
EOS-2-27812,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cc2)nn1,RZOMKBDEWMUQKP-UHFFFAOYSA-N,2,1,0.517,72,482,430.859,3.313,5,0.404,0.73,1.0,0.880594201905284,0.9210557878144061,0.3344613117675279,0.38691659241998494,0.6307569734768007
EOS-2-27813,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cn1,OZOUWLQVLPQGAY-UHFFFAOYSA-N,2,1,0.483,51,441,430.859,3.579,5,0.416,0.76,1.0,0.7213436364882462,0.6243746144883833,0.5042234939346172,0.4689705983140292,0.579728085806319
EOS-2-27814,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nn1,LCINDLTWRKMYJD-UHFFFAOYSA-N,2,1,0.484,87,132,430.859,3.313,5,0.404,0.75,1.0,0.7090843670755945,0.8377510108971283,0.304828318826674,0.35794325269001437,0.5524017373723529
EOS-2-27815,COc1nc(-c2ccc(Cl)nn2)cc(-c2cncc3nnc(-c4ccc(C)cc4)n23)n1,UZWANQAXBHVOQM-UHFFFAOYSA-N,2,1,0.37,74,139,430.859,3.676,5,0.425,0.74,1.0,0.41953087519703924,0.4400486601329587,0.2902902474127887,0.2887824686450552,0.3596630628469605
EOS-2-27816,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)cc1,KAWNIGHKYZFZMD-UHFFFAOYSA-N,2,1,0.466,54,207,430.859,3.313,5,0.404,0.73,1.0,0.5495339592899733,0.7026334726886437,0.28682064286203823,0.4024569940374203,0.4853612672195189
EOS-2-27817,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncc(Cl)c5)n4)n23)cn1,UXZPBDIKMVYECD-UHFFFAOYSA-N,2,1,0.472,2,85,430.859,3.579,5,0.416,0.7,1.0,0.6137516277157151,0.6974333493249263,0.4302480981426907,0.43442875745322457,0.5439654581591392
EOS-2-27818,Clc1ccncc1CCOc1cncc2nnc(-c3cncnc3-c3ccccn3)n12,GITSLYFKPCWQJH-UHFFFAOYSA-N,2,1,0.489,65,981,430.859,3.313,5,0.404,0.69,0.995,0.62487149612775,0.6778493591940237,0.3378195462956617,0.4152388458638887,0.513944811870331
EOS-2-27819,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2)nc1,JKMCLRPFCXKKFW-UHFFFAOYSA-N,2,1,0.477,54,411,430.859,3.313,5,0.404,0.68,0.999,0.7689671715441025,0.7444914673428826,0.3083407580015078,0.3806884380782674,0.5506219587416901
EOS-2-27820,ClCc1cc(COc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)ccn1,JZYFQBIMGJIWMA-UHFFFAOYSA-N,2,1,0.477,75,99,430.859,3.356,5,0.378,0.71,1.0,0.4354739222808581,0.39893598793776985,0.42669282434377354,0.38362689329038446,0.4111824069631965
EOS-2-27821,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)n1,DPAOMEBZHFFDEC-UHFFFAOYSA-N,2,1,0.461,75,99,430.859,3.579,5,0.39,0.63,1.0,0.6450294702213694,0.6154650126790487,0.4628281132204784,0.43734151189089165,0.540166027002947
EOS-2-27822,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccncn5)c4)n23)nc1,ZVIVKOGJUTYRPO-UHFFFAOYSA-N,2,1,0.5,87,307,430.859,3.313,5,0.404,0.65,1.0,0.6878726612295251,0.7257299019943801,0.4342402851072579,0.4532845589747104,0.5752818518264684
EOS-2-27823,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)cn1,IWJLEZSWSCDFQF-UHFFFAOYSA-N,2,1,0.511,46,238,430.859,3.579,5,0.39,0.72,0.973,0.6026060585292303,0.5023302035501337,0.49378897950791584,0.4532931258995271,0.5130045918717017
EOS-2-27824,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)ccn1,YLHFRHUVVCUKEO-UHFFFAOYSA-N,2,1,0.466,54,411,430.859,3.313,5,0.378,0.73,1.0,0.7274432869577137,0.7488263313001166,0.3756853539853334,0.4281492015626071,0.5700260434514426
EOS-2-27825,Clc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cn1,AJCNXSYFSLCTQU-UHFFFAOYSA-N,2,1,0.524,65,434,430.859,3.313,5,0.378,0.76,1.0,0.8186382016311425,0.9027054348571036,0.4191796312795559,0.4089078884243712,0.6373577890480433
EOS-2-27826,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,ZTYQPGHRDNXMSA-UHFFFAOYSA-N,2,1,0.429,46,160,430.859,3.579,5,0.39,0.7,1.0,0.5939791652388459,0.5157545747378521,0.4972328832842163,0.4533016928243438,0.5150670790213145
EOS-2-27827,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)nn2)cc1,GNNVRIMQGDGFCR-UHFFFAOYSA-N,2,1,0.471,19,691,430.859,3.313,5,0.404,0.78,0.987,0.6878812281543417,0.8195205948872593,0.28314543211568777,0.3994585703515866,0.5475014563772188
EOS-2-27828,Cc1cncc(-c2cc(-c3nnc4cncc(COc5cncc(Cl)c5)n34)ccn2)n1,LSCFRCTYGMKHFV-UHFFFAOYSA-N,2,1,0.366,7,767,430.859,3.579,5,0.416,0.69,1.0,0.4707439517510794,0.3989445548625865,0.41549585360838875,0.41836577342197245,0.4258875334110068
EOS-2-27829,Clc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,LFXHOEODUOHMBN-UHFFFAOYSA-N,2,1,0.549,75,262,430.859,3.313,5,0.378,0.73,1.0,0.7776883010074703,0.8573435679528476,0.2868292097868549,0.3166763758481256,0.5596343636488247
EOS-2-27830,Cc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cccnc1,RKORFOLFSOPRGC-UHFFFAOYSA-N,2,1,0.429,4,122,430.859,3.579,5,0.416,0.64,1.0,0.5007281886094168,0.5070334452744842,0.3305119594270441,0.3483911315194298,0.4216661812075937
EOS-2-27831,CCOc1ncc(-c2nnc3cncc(-c4ccc(-c5cncc(Cl)c5)cn4)n23)cn1,IHZCJJDZRHXQQZ-UHFFFAOYSA-N,2,1,0.318,82,489,430.859,3.757,5,0.415,0.82,1.0,0.4266328558700569,0.4444863271879926,0.3717702693441162,0.3869251593448016,0.4074536529367418
EOS-2-27832,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)n1,AMDZGLOODYOJGD-UHFFFAOYSA-N,2,1,0.423,18,367,430.859,3.313,5,0.378,0.76,0.904,0.5313463779041875,0.5764084024398601,0.38682235624700156,0.42475669933520666,0.47983345898156393
EOS-2-27833,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)n1,NGKFVLVNMQLCDR-UHFFFAOYSA-N,2,1,0.462,54,411,430.859,3.313,5,0.378,0.75,0.999,0.602614625454047,0.6729233774244398,0.27164861901171955,0.34509286546501267,0.4730698718388048
EOS-2-27834,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)n1,CXQMEUNZWQMQHM-UHFFFAOYSA-N,2,1,0.506,35,846,430.859,3.313,5,0.378,0.75,1.0,0.8806027688301008,0.9052412446028374,0.29385408813652253,0.34185456788431223,0.6053881673634433
EOS-2-27835,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccnnc5)ncn4)n23)cc1,AUJSTTFFEUDIBJ-UHFFFAOYSA-N,2,1,0.585,44,130,430.859,3.313,5,0.404,0.7,1.0,0.7028219450346104,0.6290350215886505,0.4937975464327325,0.5365208004934549,0.5905438283873621
EOS-2-27836,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)ccn1,XWDMDJRAXVPTMU-UHFFFAOYSA-N,2,1,0.44,18,840,430.859,3.313,5,0.378,0.61,1.0,0.6305513672812008,0.6386642450825851,0.49380611335754915,0.509415050373518,0.5681091940237133
EOS-2-27837,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccc(Cl)n5)n4)n23)nc1,COXVBDJKDRCVES-UHFFFAOYSA-N,2,1,0.462,46,122,430.859,3.579,5,0.39,0.7,1.0,0.5032040298814338,0.5575269001439244,0.25008566924816666,0.2682389829346858,0.3947638955520526
EOS-2-27838,Clc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2)c1,OZYLZIITSMXGDB-UHFFFAOYSA-N,2,1,0.472,54,411,430.859,3.313,5,0.404,0.69,0.999,0.7601004043588514,0.6925759029538757,0.36032485778904805,0.4311476252484408,0.561037197587554
EOS-2-27839,Clc1ccc(CCOc2cncc3nnc(-c4cnc(-c5ccccn5)cn4)n23)cn1,VZILLECTNSPPQA-UHFFFAOYSA-N,2,1,0.483,18,981,430.859,3.313,5,0.378,0.69,1.0,0.6726406689054897,0.6729319443492564,0.31207593722157495,0.3579518196148311,0.503900092522788
EOS-2-27840,Cc1cncc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,QYPKBAKEAHCBFN-UHFFFAOYSA-N,2,1,0.536,7,212,430.859,3.579,5,0.416,0.61,1.0,0.7745870742238367,0.9094904393119047,0.2716571859365362,0.3387533411006785,0.573622010143239
EOS-2-27841,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)ncn1,GPWCDHYTGZJOAY-UHFFFAOYSA-N,2,1,0.457,24,786,430.859,3.579,5,0.39,0.77,1.0,0.5364265643204715,0.6386728120074018,0.3979250908094031,0.3776900143924337,0.4876786203824275
EOS-2-27842,Cc1cncc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)n1,CNTRLDLKQSPPDY-UHFFFAOYSA-N,2,1,0.43,46,122,430.859,3.579,5,0.39,0.65,1.0,0.42664142279487355,0.4487954903707765,0.3603334247138647,0.3615584949626482,0.3993322082105408
EOS-2-27843,Clc1cc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)ccn1,VDKWGBQATIAAKR-UHFFFAOYSA-N,2,1,0.5,2,419,430.859,3.313,5,0.378,0.68,1.0,0.69984065519841,0.7662857240764855,0.555753546706874,0.5627270235076417,0.6461517373723529
EOS-2-27844,Clc1cnnc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)c1,PERKGLKEYHQVDD-UHFFFAOYSA-N,2,1,0.489,75,496,430.859,3.313,5,0.404,0.7,1.0,0.6221043794119663,0.7445000342676993,0.3414347885682955,0.40891645534918786,0.5292389143992873
EOS-2-27845,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)c1,QUSLXSVEFRBPOF-UHFFFAOYSA-N,2,1,0.548,15,619,430.859,3.313,5,0.404,0.71,1.0,0.940502707148242,0.90040093208142,0.5150435199780686,0.5463898978822562,0.7255842642724967
EOS-2-27846,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,VOJNKQJYKHXBNH-UHFFFAOYSA-N,2,1,0.391,18,565,430.859,3.579,5,0.39,0.7,1.0,0.5820711397436776,0.5621530395449249,0.5080614762524844,0.4657237338085121,0.5295023473373998
EOS-2-27847,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4cnccn4)n3)n12,WPDXIHFDDSRTGU-UHFFFAOYSA-N,2,1,0.488,7,540,430.859,3.579,5,0.416,0.75,1.0,0.5683212254129257,0.7704064149133028,0.40838530601055445,0.4344373243780413,0.5453875676787061
EOS-2-27848,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)nc1,IMWKPMINBVIXDY-UHFFFAOYSA-N,2,1,0.539,75,496,430.859,3.313,5,0.404,0.64,1.0,0.7118343499417449,0.7445086011925159,0.4378897950791584,0.45629154958536083,0.587631073949695
EOS-2-27849,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)ccn1,BBZBZOJCYPTAHG-UHFFFAOYSA-N,2,1,0.446,18,194,430.859,3.313,5,0.378,0.66,1.0,0.6540333082036872,0.6433589198821191,0.42316325131930643,0.45005482831882665,0.5426525769309849
EOS-2-27850,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)n1,RXOOJQQQSOHENX-UHFFFAOYSA-N,2,1,0.506,55,283,430.859,3.579,5,0.39,0.64,1.0,0.6966880268658763,0.6729405112740731,0.4451031457747927,0.4183743403467891,0.5582765060653828
EOS-2-27851,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)n1,RAHHAYAYKFHVEA-UHFFFAOYSA-N,2,1,0.443,44,194,430.859,3.313,5,0.378,0.71,0.999,0.5737697895963265,0.5916061270646289,0.31583681721609214,0.36790658625179906,0.4622798300322116
EOS-2-27852,Cc1cc(-c2cnnc(-c3nnc4cncc(OCc5cccnn5)n34)c2)ccc1Cl,OKHJGKDJAUWCOE-UHFFFAOYSA-N,2,1,0.415,53,207,430.859,3.579,5,0.416,0.71,1.0,0.45663422657802755,0.5386368309231718,0.4904907134534987,0.5365293674182715,0.5055727845932424
EOS-2-27853,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)nn1,OGANAKRKPXVZNY-UHFFFAOYSA-N,2,1,0.433,19,691,430.859,3.313,5,0.404,0.78,0.925,0.6848485367692413,0.6974419162497429,0.19689363306147625,0.29781200740182306,0.46924902337057095
EOS-2-27854,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)cn1,PBIKOHASKOAYPY-UHFFFAOYSA-N,2,1,0.424,18,840,430.859,3.313,5,0.378,0.75,1.0,0.6696936467685559,0.682766774038791,0.45238503186896034,0.48702967582756496,0.5729687821259681
EOS-2-27855,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)n1,QCQXSZBJFPBIQM-UHFFFAOYSA-N,2,1,0.467,55,283,430.859,3.579,5,0.416,0.62,1.0,0.7244619971215133,0.7026420396134604,0.4415564389006922,0.4311561921732575,0.5749541669522308
EOS-2-27856,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cn1,QHAHCYNPCRESEO-UHFFFAOYSA-N,2,1,0.461,18,215,430.859,3.313,5,0.378,0.74,1.0,0.7334829689534644,0.7662942910013022,0.480270372147214,0.490019532588582,0.6175167911726406
EOS-2-27857,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c1,HDWOKMOGZOBLPT-UHFFFAOYSA-N,2,1,0.522,65,981,430.859,3.313,5,0.404,0.7,1.0,0.8213367829483929,0.8748286615036667,0.43789836200397503,0.4563001165101775,0.6475909807415531
EOS-2-27858,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)nc1,IMCUGZCDAGISAR-UHFFFAOYSA-N,2,1,0.443,55,879,430.859,3.579,5,0.39,0.75,1.0,0.645038037146186,0.7350592831197313,0.3641714070317319,0.3647196902199986,0.527247104379412
EOS-2-27859,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)cn1,MEOQRSNQGBEBOH-UHFFFAOYSA-N,2,1,0.495,87,846,430.859,3.313,5,0.378,0.82,1.0,0.702830511959427,0.8573521348776643,0.3756939209101501,0.4054639846480707,0.585335138098828
EOS-2-27860,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)nc1,NTDYYFQBPMINCR-UHFFFAOYSA-N,2,1,0.558,75,324,430.859,3.313,5,0.404,0.64,1.0,0.6818244123089576,0.7304160098690974,0.36784661777808236,0.3962973750942362,0.5440961037625933
EOS-2-27861,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccnc5Cl)n34)ccn2)cn1,KSJQGCFRYMXXLP-UHFFFAOYSA-N,2,1,0.472,75,99,430.859,3.579,5,0.39,0.72,1.0,0.6540418751285039,0.6104961962853814,0.43025666506750737,0.4121376190802549,0.5267330888904119
EOS-2-27862,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,PEWSRZIUDWSNFN-UHFFFAOYSA-N,2,1,0.562,7,212,430.859,3.579,5,0.416,0.76,1.0,0.7213522034130628,0.8960403673497361,0.3794805016791173,0.4089250222740045,0.6014495236789802
EOS-2-27863,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)cn1,JPZCYPUSXIXXKB-UHFFFAOYSA-N,2,1,0.573,7,99,430.859,3.579,5,0.416,0.66,1.0,0.49317216092111577,0.5816770612021109,0.4083938729353711,0.3933075183332191,0.4691376533479542
EOS-2-27864,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,RUAWPQALXAXHAO-UHFFFAOYSA-N,2,1,0.489,2,822,430.859,3.313,5,0.378,0.74,1.0,0.6137601946405319,0.757504626139401,0.4342488520320746,0.4657323007333288,0.5678114933863341
EOS-2-27865,Clc1nccnc1CCOc1cncc2nnc(-c3cccc(-c4ccnnc4)c3)n12,BXKGCECDGZFDOU-UHFFFAOYSA-N,2,1,0.482,15,202,430.859,3.313,5,0.404,0.58,1.0,0.6510520183674868,0.7398567610170653,0.34144335549311217,0.41838290727160576,0.5376837605373175
EOS-2-27866,Clc1cccc(CCOc2cncc3nnc(-c4cnc(-c5ccccn5)cn4)n23)n1,BVYBSFZSNULHPD-UHFFFAOYSA-N,2,1,0.444,58,954,430.859,3.313,5,0.378,0.74,1.0,0.5851380988280447,0.6340124049071345,0.22850558563498047,0.29162668768418887,0.43482069426358716
EOS-2-27867,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)cn2)c1,RALBUFUBMNLYQA-UHFFFAOYSA-N,2,1,0.446,55,879,430.859,3.579,5,0.39,0.71,1.0,0.5683297923377424,0.6681001987526557,0.41918819820437253,0.38693372626961825,0.5106379788910972
EOS-2-27868,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)cn1,OUYOCJLVKTYVLM-UHFFFAOYSA-N,2,1,0.5,65,858,430.859,3.313,5,0.378,0.65,1.0,0.6818329792337743,0.7614882461791516,0.4732797614968131,0.48430539373586456,0.6002265951614009
EOS-2-27869,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)n1,NVWUGFQQMPFBBR-UHFFFAOYSA-N,2,1,0.517,75,819,430.859,3.313,5,0.378,0.68,1.0,0.6603899664176547,0.7120827907614283,0.3378281132204784,0.3679151531766157,0.5195540058940443
EOS-2-27870,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)ccn1,IFDIXYBTUUBXBD-UHFFFAOYSA-N,2,1,0.466,18,324,430.859,3.313,5,0.378,0.74,1.0,0.7455451990953328,0.79974813241039,0.42670139126859025,0.44362106778150917,0.6039039476389556
EOS-2-27871,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)cn1,IOJZEVILQWAXGT-UHFFFAOYSA-N,2,1,0.456,54,773,430.859,3.313,5,0.378,0.72,1.0,0.7745956411486533,0.7787420327599205,0.4049328353094373,0.42815776848742376,0.5966070694263587
EOS-2-27872,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c1,MINVNRVYJVMTSK-UHFFFAOYSA-N,2,1,0.484,54,411,430.859,3.313,5,0.404,0.74,0.988,0.6333441847714344,0.6925844698786924,0.30834932492632444,0.3869422931944349,0.5053050681927216
EOS-2-27873,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cn1,INBYTYPBIZWIAP-UHFFFAOYSA-N,2,1,0.466,54,411,430.859,3.313,5,0.378,0.68,1.0,0.7661914879035021,0.730424576793914,0.36034199163868136,0.41214618600507164,0.5672760605852923
EOS-2-27874,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)n1,BHJYWEHHNBJIRF-UHFFFAOYSA-N,2,1,0.466,58,56,430.859,3.313,5,0.378,0.76,1.0,0.6998492221232266,0.8234442464532932,0.20756802138304434,0.26219930093893495,0.4982651977246248
EOS-2-27875,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)n1,GNFNFKVTUCWTLY-UHFFFAOYSA-N,2,1,0.517,55,99,430.859,3.579,5,0.39,0.63,1.0,0.6540504420533205,0.557535467068741,0.452393598793777,0.4247652662600233,0.5221861935439654
EOS-2-27876,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)nc1,ZZJCHSBRBREBBP-UHFFFAOYSA-N,2,1,0.5,2,307,430.859,3.313,5,0.404,0.67,1.0,0.6420396134603523,0.7304331437187307,0.48027893907203073,0.5062709889658008,0.5897556713042287
EOS-2-27877,Clc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)ccn1,JJYKJYBOZVLWOG-UHFFFAOYSA-N,2,1,0.512,65,131,430.859,3.313,5,0.378,0.63,1.0,0.7455537660201494,0.7704149818381194,0.4013090261119868,0.4183914741964225,0.5839173120416695
EOS-2-27878,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cn5)n34)ccn2)c(C)n1,NZXSIZZJLNQSAT-UHFFFAOYSA-N,2,1,0.398,75,441,430.859,4.101,5,0.419,0.7,1.0,0.6362912069083682,0.6154735796038654,0.3717788362689329,0.332345281337811,0.4889722260297444
EOS-2-27879,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)cn1,AELMOALSYMVDLO-UHFFFAOYSA-N,2,1,0.455,55,282,430.859,3.579,5,0.39,0.74,1.0,0.7425639092591323,0.7575131930642177,0.5080700431773011,0.4596069494894113,0.6169385237475156
EOS-2-27880,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4ccnnc4)cn3)n12,LFOKHJUXQFVYAZ-UHFFFAOYSA-N,2,1,0.477,92,212,430.859,3.579,5,0.416,0.69,1.0,0.5764169693646769,0.7614968131039682,0.49381468028236586,0.49630765540401617,0.5820090295387568
EOS-2-27881,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)c1,VNCJOVKWZBEFKL-UHFFFAOYSA-N,2,1,0.548,54,411,430.859,3.313,5,0.404,0.78,1.0,0.6818415461585909,0.7210951956685628,0.35300870399561374,0.4373500788157083,0.5483238811596189
EOS-2-27882,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)cn1,XPVKTKAZPOFAOA-UHFFFAOYSA-N,2,1,0.477,18,194,430.859,3.313,5,0.378,0.69,1.0,0.5995305325200466,0.5432801041738058,0.4267099581934069,0.44707353848262626,0.5041485333424713
EOS-2-27883,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)ccn1,YATWOIPNALQTQH-UHFFFAOYSA-N,2,1,0.522,58,578,430.859,3.313,5,0.378,0.69,1.0,0.8364060037009116,0.8854944829004181,0.45240216571859365,0.4563086834349942,0.6576528339387294
EOS-2-27884,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cn1,YVBFUTHZNDPQAX-UHFFFAOYSA-N,2,1,0.566,72,889,430.859,3.313,5,0.378,0.71,1.0,0.939603180042492,0.9154701528339387,0.5186501953258859,0.529890000685354,0.7259033822219176
EOS-2-27885,COc1ncncc1-c1cncc2nnc(-c3ccc(-c4ccc(C)nn4)cc3Cl)n12,ZGUHNYUQMSZXKZ-UHFFFAOYSA-N,2,1,0.323,50,478,430.859,3.676,5,0.425,0.75,1.0,0.3931961483106024,0.4796278527859639,0.42671852511822356,0.402465560962237,0.4255020217942567
EOS-2-27886,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,OVCDADRYIQVLBK-UHFFFAOYSA-N,2,1,0.545,65,324,430.859,3.313,5,0.404,0.71,1.0,0.7515249126173669,0.8635288876704817,0.36035055856349807,0.3869508601192516,0.5905888047426495
EOS-2-27887,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)cn1,OUCBKSCPRSKFIE-UHFFFAOYSA-N,2,1,0.456,44,238,430.859,3.579,5,0.416,0.7,1.0,0.4682509766294291,0.5070420121993009,0.43790692892879174,0.4218182441230896,0.45875454047015285
EOS-2-27888,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)cn1,JPDILTWCCOXEGT-UHFFFAOYSA-N,2,1,0.471,75,441,430.859,3.579,5,0.39,0.7,1.0,0.690734014118292,0.6582739359879378,0.5186587622507025,0.46897916523884586,0.5841614693989445
EOS-2-27889,Clc1cnccc1CCOc1cncc2nnc(-c3cc(-c4cncnc4)ccn3)n12,MFOKCIAZEZAMHL-UHFFFAOYSA-N,2,1,0.462,18,840,430.859,3.313,5,0.404,0.69,1.0,0.6333527516962512,0.6340209718319512,0.5080786101021177,0.5365379343430882,0.577997566993352
EOS-2-27890,Cc1ccncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)nn1,WCXHKFUITFHVCT-UHFFFAOYSA-N,2,1,0.435,54,670,430.859,3.579,5,0.39,0.6,0.999,0.4735796038653965,0.5070505791241177,0.3603591254883147,0.38695942704406827,0.4319871838804743
EOS-2-27891,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cn1,CLEMIMKAKJYMCL-UHFFFAOYSA-N,2,1,0.471,18,324,430.859,3.313,5,0.378,0.7,1.0,0.7425724761839491,0.7832482352134877,0.4155044205332054,0.4281663354122404,0.5923728668357207
EOS-2-27892,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)ccn1,CKWMMEBYVHTUDA-UHFFFAOYSA-N,2,1,0.562,75,420,430.859,3.313,5,0.378,0.69,1.0,0.8239839627167432,0.7531354944829004,0.3603676924131314,0.37769858131725037,0.5787964327325064
EOS-2-27893,OCc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,BADJRTKGDMCGLE-UHFFFAOYSA-N,2,1,0.597,13,15,430.855,4.186,5,0.446,0.87,1.0,0.7917037900075389,0.9192310328284559,0.7419556575971489,0.760468782125968,0.803339815639778
EOS-2-27894,Oc1cc(-c2nnc3cncc(OCc4cncnc4)n23)ccc1-c1ccc(Cl)cc1,RIAJXFSSKKBXAA-UHFFFAOYSA-N,2,1,0.568,97,326,430.855,4.186,5,0.446,0.74,1.0,0.904812898362004,0.8882273319169351,0.8089147419642245,0.8137379206360085,0.853923223219793
EOS-2-27895,Cn1ncc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)cc2)cc1=O,IRQSTMQKVPNINJ-UHFFFAOYSA-N,2,1,0.488,1,913,430.855,3.998,5,0.428,0.83,1.0,0.47850558563498047,0.5962408333904462,0.6872215749434583,0.7212494003152629,0.620804348571037
EOS-2-27896,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)ccc1-c1cnccn1,YZXKOEGJTVYIOJ-UHFFFAOYSA-N,2,1,0.623,13,209,430.855,4.703,5,0.399,0.83,1.0,0.8134980467411418,0.739865327941882,0.7838564868754712,0.7426153108080323,0.7699587930916318
EOS-2-27897,COc1cccc(Oc2cncc3nnc(-c4cnnc(-c5ccc(Cl)cc5)c4)n23)c1,KEBLHKYKRHDFAW-UHFFFAOYSA-N,2,1,0.517,13,15,430.855,4.703,5,0.399,0.65,1.0,0.5683383592625592,0.7211037625933795,0.779401685970804,0.7681704475361524,0.7092535638407238
EOS-2-27898,COc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1ccncn1,MPGLGOIXXIMRIZ-UHFFFAOYSA-N,2,1,0.61,13,209,430.855,4.703,5,0.399,0.77,1.0,0.8389075457473785,0.7832568021383044,0.7878229730655884,0.7476783633746831,0.7894164210814885
EOS-2-27899,Oc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1,WLRNKMHPSGZSQM-UHFFFAOYSA-N,2,1,0.444,97,992,430.855,4.186,5,0.417,0.64,1.0,0.8084435610993078,0.8543108765677473,0.7006630799808101,0.7020766225755602,0.7663735350558564
EOS-2-27900,COc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1cncnc1,QVRKYCDOMJOOII-UHFFFAOYSA-N,2,1,0.625,13,209,430.855,4.703,5,0.399,0.74,1.0,0.7515334795421835,0.7663028579261189,0.8240439311904598,0.7916523884586388,0.7833831642793503
EOS-2-27901,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)cn2)ccc1=O,AKGBFYMJVUDEQA-UHFFFAOYSA-N,2,1,0.556,13,15,430.855,3.998,5,0.428,0.79,1.0,0.6758618326365567,0.6485761770954698,0.7032331574258104,0.7185079843739292,0.6865447878829415
EOS-2-27902,Clc1ccc(COc2cncc3nnc(-c4cccc(Oc5ccncc5)c4)n23)nc1,GXGMAQFPACVTPK-UHFFFAOYSA-N,2,1,0.571,97,881,430.855,4.606,5,0.388,0.73,1.0,0.5764255362894936,0.692593036803509,0.7470015763141663,0.7318809540127476,0.6869752758549792
EOS-2-27903,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)nc1,BCGZDQAVWMCMOK-UHFFFAOYSA-N,2,1,0.548,1,992,430.855,4.186,5,0.417,0.71,1.0,0.8592454252621479,0.702650606538277,0.7654461654444521,0.7346223699540813,0.7654911417997396
EOS-2-27904,Oc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)nn1,VLLCMCWWFMGEJM-UHFFFAOYSA-N,2,1,0.667,43,909,430.855,4.186,5,0.446,0.78,1.0,0.9312161606469742,0.9519052840792269,0.7678106366938524,0.7681790144609691,0.8547777739702558
EOS-2-27905,Clc1ccnc(COc2cncc3nnc(-c4ccc(Oc5ccncc5)cc4)n23)c1,AJZZLLWZMOWIKV-UHFFFAOYSA-N,2,1,0.598,97,881,430.855,4.606,5,0.388,0.74,1.0,0.6907425810431088,0.8041086971420739,0.7654547323692688,0.752732849016517,0.7532597148927421
EOS-2-27906,Clc1ccc(-c2nnc3cncc(OCc4ncc(Oc5ccccc5)cn4)n23)cc1,RJUPJBMJHOEHHT-UHFFFAOYSA-N,2,1,0.584,1,881,430.855,4.606,5,0.388,0.79,1.0,0.9344116236035912,0.9569769035706943,0.6276300459187171,0.667372010143239,0.7965976458090605
EOS-2-27907,OCc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)nn2)cc1,MEFJFNOCHZJTKH-UHFFFAOYSA-N,2,1,0.524,19,691,430.855,4.186,5,0.446,0.81,1.0,0.6936039339318758,0.6926016037283257,0.7607600575697347,0.7939568912343226,0.7352306216160647
EOS-2-27908,Oc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)n1,ZEBSYRMKEVQRIM-UHFFFAOYSA-N,2,1,0.517,1,22,430.855,4.186,5,0.446,0.7,1.0,0.7571533822219176,0.7575217599890344,0.6844715920773079,0.6673805770680556,0.7166318278390789
EOS-2-27909,Clc1ccc(COc2cncc3nnc(-c4ccc(Oc5cccnc5)cc4)n23)nc1,FUQXINMEJJONCM-UHFFFAOYSA-N,2,1,0.622,1,881,430.855,4.606,5,0.388,0.78,1.0,0.8746401891576999,0.815656911794942,0.747010143238983,0.7289939003495305,0.7915752861352888
EOS-2-27910,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)nc1,KZSWOZGHOHDJGR-UHFFFAOYSA-N,2,1,0.541,1,22,430.855,4.186,5,0.446,0.67,1.0,0.6998577890480433,0.7073624151874444,0.7187821259680625,0.7075680213830443,0.7083925878966487
EOS-2-27911,COc1cccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5Cl)nn4)n23)c1,NPVKCUOCDIETQM-UHFFFAOYSA-N,2,1,0.471,19,616,430.855,4.703,5,0.399,0.83,1.0,0.6194229319443493,0.5869285861147283,0.6819700500308409,0.6992238366116099,0.6468863511753822
EOS-2-27912,Oc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cccnc1,WPVBPHJMICIYCI-UHFFFAOYSA-N,2,1,0.494,97,91,430.855,4.186,5,0.417,0.7,1.0,0.8266911109588102,0.7874117606743883,0.8009475018847234,0.782417243506271,0.7993669042560482
EOS-2-27913,Cn1nc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)cc1-c1nnco1,TWHLNKOOJQNQOX-UHFFFAOYSA-N,2,1,0.4,53,105,430.841,1.701,5,0.391,0.61,1.0,0.18302378178329107,0.20038037146186005,0.003897950791583853,0.005765540401617435,0.09826691110958809
EOS-2-27914,N#CCn1cc(-c2cncc3nnc(-c4ccc(Cl)c(-c5cc(F)ccn5)c4)n23)cn1,QCWPJFYVQHOSTF-UHFFFAOYSA-N,2,1,0.318,22,844,430.834,4.033,5,0.427,0.65,1.0,0.3028065245699404,0.4311818929477075,0.8313600849838941,0.8777756836406003,0.6107810465355356
EOS-2-27915,Cc1nc(-c2cncc3nnc(-c4ccc(C#N)cc4)n23)n(-c2ccc(Cl)cc2F)n1,WIFFGGHUWBVSSQ-UHFFFAOYSA-N,2,1,0.436,22,316,430.834,4.012,5,0.429,0.83,0.992,0.09867384003837983,0.380028784867384,0.6601843602220547,0.7894335549311219,0.4820801350147351
EOS-2-27916,N#Cc1ccc(-c2nnc3cncc(OCc4cnn(-c5cnccn5)n4)n23)cc1Cl,USKAHVIHQGKLSX-UHFFFAOYSA-N,2,1,0.462,92,815,430.819,2.266,5,0.411,0.66,0.972,0.32301590021245974,0.48375711054759785,0.30483688575149065,0.36792372010143237,0.36988340415324517
EOS-2-27917,N#Cc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)cn1,SVYJYPOCRCFGGR-UHFFFAOYSA-N,2,1,0.536,4,335,430.815,3.34,5,0.412,0.77,1.0,0.7244705640463299,0.8116818586800082,0.43425741895689124,0.4930864916729491,0.6158740833390446
EOS-2-27918,N#Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)o4)n23)ccc1Cl,UDGMKLLRISUSLG-UHFFFAOYSA-N,2,1,0.506,16,389,430.815,3.34,5,0.412,0.66,0.998,0.8410407100267288,0.8748372284284833,0.5557621136316908,0.5754317730107601,0.7117679562744157
EOS-2-27919,N#Cc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)nc1,YKVJIDZNWHIUAW-UHFFFAOYSA-N,2,1,0.573,16,335,430.815,3.34,5,0.412,0.81,1.0,0.7244791309711466,0.837759577821945,0.40840243986018776,0.4992032759920499,0.6174611061613323
EOS-2-27920,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4cnnc(-c5cccc(Cl)c5)n4)n23)cc1,CHAAISTUVOKVQT-UHFFFAOYSA-N,2,1,0.474,96,186,430.815,3.872,5,0.31,0.83,1.0,0.1553697484750874,0.1742341169213899,0.40131759303680353,0.34839969844424645,0.2698302892193818
EOS-2-27921,N#Cc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)nc5)n4)n23)cc1,UOGQCHNPZVRWHH-UHFFFAOYSA-N,2,1,0.517,89,731,430.815,3.34,5,0.385,0.72,1.0,0.8084521280241245,0.7787505996847371,0.469930093893496,0.5261462545404701,0.6458197690357069
EOS-2-27922,C#Cc1cncc(COc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)c1Cl,ZNWFMHSDMVQCKB-UHFFFAOYSA-N,2,1,0.449,55,823,430.815,2.845,5,0.388,0.62,0.998,0.5939877321636625,0.6055959152902474,0.5007881570831334,0.4843139606606812,0.5461714412994312
EOS-2-27923,C#Cc1ncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(F)c1Cl,YZJJJZOEUUKMOO-UHFFFAOYSA-N,2,1,0.484,68,127,430.777,3.872,4,0.447,0.63,1.0,0.9195908436707559,0.9389092591323418,0.9527876773353438,0.9282948392844904,0.934895654855733
EOS-2-27925,OCc1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4Cl)n23)ccc1Cl,OSCUWYCWWCLUNH-UHFFFAOYSA-N,2,1,0.618,48,240,469.25,5.188,4,0.436,0.71,1.0,0.9902165718593654,0.987312384346515,0.9990576382701666,0.9991518744431499,0.9939346172297993
EOS-2-27926,FC(F)(F)Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1Cl,FFEOPLYXWRHRHC-UHFFFAOYSA-N,2,1,0.775,48,240,469.25,5.618,4,0.367,0.79,1.0,0.9931121924473991,0.9961191830580495,0.9963076554040162,0.9965389623740663,0.9955194983208828
EOS-2-27927,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1Cl,DZKGDCUNEJFWCV-UHFFFAOYSA-N,2,1,0.714,48,240,469.25,5.618,4,0.367,0.79,1.0,0.9826605441710644,0.9890943047083819,0.9957165375916661,0.9961363169076828,0.9909019258446988
EOS-2-27929,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ncc(-c4ccc(Cl)nc4)nn3)n12,RQESTMPBVGTPGB-UHFFFAOYSA-N,2,1,0.448,34,877,469.267,4.063,5,0.355,0.63,1.0,0.684857103694058,0.8234528133781098,0.6160989651154821,0.7527414159413337,0.7192875745322459
EOS-2-27930,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4cncc(Cl)c4)nn3)n12,BGRQGQXKMPGMPE-UHFFFAOYSA-N,2,1,0.438,54,411,469.267,4.063,5,0.38,0.71,0.377,0.6248800630525666,0.6433674868069358,0.6488674525392365,0.7604773490507847,0.6693980878623809
EOS-2-27931,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2Cl)nn1,RXRGEMWQQMDQJL-UHFFFAOYSA-N,2,1,0.554,34,335,469.267,4.063,5,0.38,0.72,0.968,0.9469707353848262,0.9686707559454458,0.5186673291755192,0.6732489205674731,0.776889435268316
EOS-2-27932,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2Cl)nc1,DUUKLXBHZZIXCG-UHFFFAOYSA-N,2,1,0.506,73,82,469.267,4.063,5,0.38,0.67,1.0,0.8953293125899527,0.905249811527654,0.6574086765814543,0.7264495236789802,0.7961093310945103
EOS-2-27933,Fc1ccc(Cl)c(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)c1,GWWDWEYNYUPAMQ-UHFFFAOYSA-N,2,1,0.398,54,691,469.267,4.063,5,0.38,0.63,0.946,0.642048180385169,0.6877612912069083,0.6009783428140635,0.7399252964155987,0.6676782777054349
EOS-2-27934,Fc1cnc(COc2cncc3nnc(-c4ccccc4)n23)nc1-c1cnc(Cl)nc1Cl,BRYUXQDQYJMXKV-UHFFFAOYSA-N,2,1,0.477,73,379,469.267,4.063,5,0.281,0.66,1.0,0.8766362826399835,0.8776728805428003,0.4486155849496265,0.5660424234116921,0.6922417928860256
EOS-2-27935,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)nc1,HVPZOUCSNJTEKS-UHFFFAOYSA-N,2,1,0.5,73,980,469.267,4.063,5,0.38,0.66,1.0,0.8660304297169488,0.8195291618120759,0.6737886368309232,0.7527499828661504,0.7780245528065245
EOS-2-27936,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)c5Cl)n34)cn2)nc1,RHSYMBOFEIIRPL-UHFFFAOYSA-N,2,1,0.472,73,930,469.267,4.063,5,0.38,0.69,0.999,0.7803697484750873,0.8482454937975464,0.6190888218764992,0.707576588307861,0.7388201631142485
EOS-2-27937,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)cn5)cn4)n23)ncc1Cl,DLFLKOIVYMHZHL-UHFFFAOYSA-N,2,1,0.451,46,128,469.267,4.063,5,0.38,0.61,1.0,0.6936125008566925,0.8079038448358578,0.7159122061544788,0.7681875813857858,0.7464040333082037
EOS-2-27938,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ccnc(Cl)n1,SXPLRPBCAPSVPT-UHFFFAOYSA-N,2,1,0.473,73,401,469.267,4.063,5,0.355,0.7,1.0,0.8616698649852649,0.8909173463093688,0.6981358371598931,0.7502056061956001,0.8002321636625317
EOS-2-27939,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)nc1Cl,REBIBUQDLAILLL-UHFFFAOYSA-N,2,1,0.368,46,157,469.267,4.063,5,0.281,0.67,1.0,0.6569974641902543,0.6729490781988897,0.6334555547940511,0.7185165512987458,0.6704796621204853
EOS-2-27940,COc1ncc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c(-c2cnc(Cl)cn2)n1,JQODOCQHFPKLMH-UHFFFAOYSA-N,2,1,0.376,50,575,469.267,4.16,5,0.387,0.7,1.0,0.6026231923788636,0.7531440614077171,0.6276386128435337,0.6992324035364266,0.6706595675416354
EOS-2-27941,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nc1-c1cncnc1,RXYGZDGKTBTLTM-UHFFFAOYSA-N,2,1,0.494,73,446,469.267,4.063,5,0.38,0.69,1.0,0.8029607292166404,0.9360650400932081,0.6460660681241861,0.752758549790967,0.7844625968062504
EOS-2-27942,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)cn1,YYYJIAKENVLKAD-UHFFFAOYSA-N,2,1,0.511,73,212,469.267,4.063,5,0.38,0.66,1.0,0.7541892262353506,0.9283805085326571,0.6737972037557398,0.7681961483106025,0.7811407717085875
EOS-2-27943,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cnc(Cl)nc1,WRKXHRHOTBBDQJ-UHFFFAOYSA-N,2,1,0.494,51,716,469.267,4.063,5,0.355,0.69,1.0,0.9533016928243437,0.9330066479336577,0.7032417243506272,0.7580100747035844,0.8368900349530533
EOS-2-27944,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(Cl)cn5)n34)cn2)nc1,YWWOVSQXHCXSEL-UHFFFAOYSA-N,2,1,0.5,73,930,469.267,4.063,5,0.38,0.72,1.0,0.7541977931601672,0.8377681447467618,0.662831539990405,0.7264580906037968,0.7453138921252828
EOS-2-27945,Fc1cc(-c2nnc3cncc(OCc4ncnc(-c5ccc(Cl)nc5)n4)n23)ccc1Cl,ONMBVULNSWAUPM-UHFFFAOYSA-N,2,1,0.518,73,756,469.267,4.063,5,0.355,0.74,1.0,0.9478531286409431,0.9657151668836954,0.6680230964293057,0.758018641628401,0.8349025083955863
EOS-2-27946,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccc(Cl)nn1,TYKQUCNWLZMBIM-UHFFFAOYSA-N,2,1,0.554,34,335,469.267,4.063,5,0.38,0.71,0.968,0.9504232060859434,0.972071825097663,0.5186758961003358,0.6673891439928723,0.7771400178192036
EOS-2-27947,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)n5)nn4)n23)ccc1Cl,CGIATZXBEXNVDX-UHFFFAOYSA-N,2,1,0.535,34,391,469.267,4.063,5,0.355,0.66,1.0,0.8239925296415599,0.9487697895963265,0.6040881365225139,0.7399338633404153,0.7791960797752039
EOS-2-27948,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)nc1Cl,XVIFPLVQOAHFKR-UHFFFAOYSA-N,2,1,0.402,2,422,469.267,4.063,5,0.355,0.7,1.0,0.7571619491467343,0.77452710575012,0.6366852854499349,0.7237252415872798,0.7230248954835172
EOS-2-27949,Fc1ccc(Cl)c(-c2cnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2)c1,FPNOTONPNSRTQV-UHFFFAOYSA-N,2,1,0.402,73,196,469.267,4.063,5,0.38,0.65,1.0,0.7028390788842437,0.6537848673840039,0.5912034815982455,0.7264666575286135,0.6685735213487767
EOS-2-27950,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cnc(Cl)nc1,ROJUCVIFRLZSGY-UHFFFAOYSA-N,2,1,0.518,4,208,469.267,4.063,5,0.355,0.65,1.0,0.8364145706257282,0.8855030498252348,0.7419642245219656,0.7894421218559385,0.8133309917072168
EOS-2-27951,Fc1cncc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ncncn4)c(Cl)c3)n12,BPJLXNFVLGLBCK-UHFFFAOYSA-N,2,1,0.531,73,980,469.267,4.063,5,0.38,0.69,1.0,0.9557861010211774,0.8982506339524364,0.8009560688095402,0.8435936536220958,0.8746466143513124
EOS-2-27952,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(Cl)n2)nc1,XNAAXNVRKZMWGY-UHFFFAOYSA-N,2,1,0.471,73,775,469.267,4.063,5,0.355,0.6,1.0,0.8746487560825166,0.8482540607223631,0.6040967034473306,0.6992409704612432,0.7565601226783634
EOS-2-27953,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)ncn2)cc1Cl,IVVXUTQVJXVLEC-UHFFFAOYSA-N,2,1,0.389,46,488,469.267,4.063,5,0.38,0.6,0.97,0.6450466040710027,0.707370982112261,0.7159207730792955,0.7963299294085395,0.7161670721677746
EOS-2-27954,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4cnc(Cl)nc4)n3)n12,ACCAPIVPCDXNRC-UHFFFAOYSA-N,2,1,0.511,73,401,469.267,4.063,5,0.355,0.63,1.0,0.8186467685559592,0.9466537591666095,0.7133849633335618,0.780352614625454,0.8147595264203962
EOS-2-27955,Fc1cnc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)c5)cn4)n23)cc1Cl,CIUJQEMOWCOLGF-UHFFFAOYSA-N,2,1,0.413,73,128,469.267,4.063,5,0.38,0.69,1.0,0.69986635597286,0.7026591734630937,0.7057346994722774,0.7846703447330546,0.7232326434103215
EOS-2-27956,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)cn5)nn4)n23)cc1Cl,SGCXDVUFMYLQAT-UHFFFAOYSA-N,2,1,0.529,73,391,469.267,4.063,5,0.38,0.64,1.0,0.8240010965663765,0.9265129189226236,0.6334641217188678,0.7658231101363855,0.7874503118360634
EOS-2-27957,Fc1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nc1-c1cncnc1,FNOMIDFQNXYZTP-UHFFFAOYSA-N,2,1,0.517,73,817,469.267,4.063,5,0.38,0.69,1.0,0.7542063600849839,0.9172777739702557,0.6792115002398739,0.7706891234322527,0.7803461894318415
EOS-2-27958,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nn2)ccc1Cl,DURWBTFHSILBAS-UHFFFAOYSA-N,2,1,0.429,54,691,469.267,4.063,5,0.38,0.71,0.99,0.7485950243300665,0.8234613803029265,0.6708930162428894,0.7803611815502707,0.7558276506065382
EOS-2-27959,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cn4)n23)nc1Cl,LHGRUZRGHPKFEE-UHFFFAOYSA-N,2,1,0.385,46,959,469.267,4.063,5,0.281,0.69,1.0,0.757170516071551,0.7615053800287849,0.6334726886436844,0.7132136248372284,0.7163405523953121
EOS-2-27960,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)cc1Cl,JRGRLRVLQWKXHP-UHFFFAOYSA-N,2,1,0.435,54,756,469.267,4.063,5,0.38,0.71,0.971,0.7455623329449661,0.757530326913851,0.6276471797683504,0.7476869302994997,0.7196066924816669
EOS-2-27961,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cc1Cl,NDYJKFMLFAPEPT-UHFFFAOYSA-N,2,1,0.671,34,612,469.267,4.063,5,0.38,0.77,1.0,0.9638047426495785,0.9849222123226646,0.6129120690836817,0.7939654581591392,0.838901120553766
EOS-2-27962,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)nc5)nn4)n23)ccc1Cl,GPXWIONXIQSAQG-UHFFFAOYSA-N,2,1,0.523,4,391,469.267,4.063,5,0.355,0.66,1.0,0.9111438558015215,0.9560431087656774,0.7470187101637996,0.7939740250839559,0.8520449249537385
EOS-2-27963,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nc1-c1cnccn1,SQSSWZQSSRFURT-UHFFFAOYSA-N,2,1,0.512,73,756,469.267,4.063,5,0.38,0.68,1.0,0.8844064834487012,0.962374066205195,0.6161075320402988,0.7212579672400795,0.7960365122335686
EOS-2-27964,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cnc(Cl)cn1,JCYUMKDWSCTZJS-UHFFFAOYSA-N,2,1,0.536,73,335,469.267,4.063,5,0.38,0.72,1.0,0.9495493797546433,0.9720803920224796,0.5387910355698718,0.6732574874922898,0.7834195737098211
EOS-2-27965,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nc1-c1cccnn1,PPLSEWUTKZJAME-UHFFFAOYSA-N,2,1,0.489,73,446,469.267,4.063,5,0.38,0.69,0.885,0.7393684463025153,0.9330152148584744,0.552275375231307,0.6992495373860599,0.7309771434445891
EOS-2-27966,Fc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)ccc1Cl,GOPAQOWFWWXGTN-UHFFFAOYSA-N,2,1,0.56,83,163,469.278,6.836,5,0.289,0.84,1.0,0.967659858817079,0.9891028716331985,0.992675279281749,0.9980467411417997,0.9868711877184566
EOS-2-27967,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)cc2)cc1F,VRJWLNCCINZCFX-UHFFFAOYSA-N,2,1,0.551,83,163,469.278,6.836,5,0.289,0.79,1.0,0.954972243163594,0.9835086697279145,0.992546775409499,0.9978754026454664,0.9822257727366185
EOS-2-27968,FC(F)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(Cl)c(Cl)c5)n4)n23)cn1,TXFKXQYHHWGURF-UHFFFAOYSA-N,2,1,0.383,96,140,469.282,6.16,5,0.315,0.73,0.983,0.4037077650606538,0.6631742169830718,0.9714550065108628,0.9785655541086972,0.7542256356658215
EOS-2-27969,COc1cc(-c2nnc3cncc(OCc4cc(-c5cccnc5Cl)no4)n23)ccc1Cl,WMGNLUNMUVXDRJ-UHFFFAOYSA-N,2,1,0.484,97,67,469.288,4.736,5,0.329,0.73,1.0,0.8056678774587074,0.7997566993352067,0.7517562195874169,0.742623877732849,0.7749511685285451
EOS-2-27970,COc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nc5)no4)n23)ccc1Cl,VBBNTCYCYRAJQY-UHFFFAOYSA-N,2,1,0.494,97,67,469.288,4.736,5,0.329,0.78,1.0,0.8389161126721952,0.8156654787197588,0.7861010211774382,0.7658316770612021,0.8016285724076486
EOS-2-27971,COc1cc(-c2nnc3cncc(OCc4ocnc4-c4cccnc4Cl)n23)ccc1Cl,FUGYYZYWCVLZPU-UHFFFAOYSA-N,2,1,0.489,97,67,469.288,4.736,5,0.329,0.61,1.0,0.8953378795147694,0.8412805839215955,0.7006716469056268,0.6964738537454596,0.7834409910218627
EOS-2-27972,COc1cc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)n5)no4)n23)ccc1Cl,MTTJMEQNDQQFFS-UHFFFAOYSA-N,2,1,0.489,97,67,469.288,4.736,5,0.329,0.78,1.0,0.848125556850113,0.7997652662600233,0.7107463504900281,0.7104807758207115,0.7672794873552189
EOS-2-27973,COc1ncc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)cc4Cl)n23)cn1,DERDCRIKRCSREV-UHFFFAOYSA-N,2,1,0.449,55,772,469.292,3.661,5,0.371,0.74,1.0,0.3797032417243506,0.39409567541635254,0.5488828730039065,0.5463984648070729,0.46727006373792057
EOS-2-27974,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cc(Cl)n5)n34)ccn2)no1,BUUFLGOAYLSPNZ-UHFFFAOYSA-N,2,1,0.479,75,819,469.292,3.868,5,0.342,0.69,1.0,0.5967976835035296,0.615482146528682,0.24288088547734904,0.3289270783359605,0.44602194846138027
EOS-2-27975,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2Cl)o1,VSJLPOSPIOJPCH-UHFFFAOYSA-N,2,1,0.448,31,237,469.292,3.868,5,0.342,0.6,0.993,0.6137687615653485,0.5764169693646769,0.21768555959152902,0.3072955931738743,0.4287917209238572
EOS-2-27976,COc1cc(-c2nnc3cncc(OCc4cc(Cl)c(Cl)cn4)n23)ccc1-c1nc[nH]n1,BSBGTKXTDRMIPF-UHFFFAOYSA-N,2,1,0.474,47,718,469.292,3.866,5,0.399,0.61,1.0,0.6194314988691659,0.5962494003152629,0.6429734082653691,0.6125094236172983,0.6177909327667741
EOS-2-27977,Cc1nnc(-c2cc(Cl)nc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)o1,VPCFFADFWFLBQE-UHFFFAOYSA-N,2,1,0.446,58,773,469.292,3.868,5,0.342,0.67,1.0,0.5737783565211432,0.5023387704749503,0.3048454526763073,0.3743574806387499,0.43883001507778774
EOS-2-27978,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2Cl)o1,XLJHKRNKLOVTJN-UHFFFAOYSA-N,2,1,0.442,31,773,469.292,3.868,5,0.342,0.66,1.0,0.6333613186210678,0.5482746213419231,0.26083715989308476,0.35796038653964773,0.45010837159893086
EOS-2-27979,Cn1c(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)nc(Cl)c5)n34)cc2)n[nH]c1=O,KYCZQFVQWUIVHA-UHFFFAOYSA-N,2,1,0.531,47,718,469.292,3.161,5,0.393,0.67,1.0,0.6907511479679255,0.502347337399767,0.4267270920430402,0.5062795558906175,0.5315262833253376
EOS-2-27980,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(Cl)n2)no1,MCVMQUCHSSYKSR-UHFFFAOYSA-N,2,1,0.495,58,24,469.292,3.868,5,0.342,0.59,1.0,0.6166986498526489,0.6729576451237064,0.1969021999862929,0.2916352546090056,0.44454843739291344
EOS-2-27981,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)cnc5Cl)n34)c2)no1,WCWKPKKONUEBTK-UHFFFAOYSA-N,2,1,0.5,65,131,469.292,3.868,5,0.342,0.69,1.0,0.6081317250359811,0.5916146939894456,0.33052052635186074,0.40893358919882117,0.4848001336440271
EOS-2-27982,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cc(Cl)n5)n34)cn2)no1,KISYTJROEMAWTO-UHFFFAOYSA-N,2,1,0.479,87,510,469.292,3.868,5,0.342,0.75,1.0,0.6026317593036804,0.7073795490370777,0.23945411555068194,0.3227074909190597,0.46804322870262494
EOS-2-27983,COc1cc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)nn4)n23)ccc1Cl,HQXAQLSJMAOSLM-UHFFFAOYSA-N,2,1,0.489,36,67,469.292,3.661,5,0.371,0.68,0.999,0.41260023302035503,0.6433760537317524,0.504232060859434,0.5334195737098211,0.5234069803303406
EOS-2-27984,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccc2Cl)o1,XOXQICUXDFFTID-UHFFFAOYSA-N,2,1,0.517,72,482,469.292,3.868,5,0.365,0.67,1.0,0.8435251182235625,0.8935388253032691,0.2716657528613529,0.377707148242067,0.5966092111575629
EOS-2-27985,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2Cl)o1,FWIUOXCAGMGVLI-UHFFFAOYSA-N,2,1,0.462,58,237,469.292,3.868,5,0.342,0.56,1.0,0.6420567473099856,0.5816856281269276,0.2680505105887191,0.3418631348091289,0.45841400520869025
EOS-2-27986,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4Cl)n23)cn1,RQFXERXEVWNNGZ-UHFFFAOYSA-N,2,1,0.485,65,728,469.296,2.7,5,0.346,0.67,1.0,0.5057227057775341,0.6340295387567678,0.17043040230278939,0.28574977725995476,0.39898310602426146
EOS-2-27987,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cnc(Cl)nc1,CDBVDOGDIJFJBU-UHFFFAOYSA-N,2,1,0.394,31,462,469.296,2.7,5,0.346,0.65,0.831,0.38436364882461793,0.3464036049619629,0.13038859570968406,0.19724487697895962,0.2646001816188061
EOS-2-27988,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(Cl)n1,OWIKEZUMXDFSHW-UHFFFAOYSA-N,2,1,0.442,58,602,469.296,2.7,5,0.346,0.58,0.998,0.4402542663285587,0.5295901583167706,0.11644164210814886,0.20331025974916045,0.32239908162565967
EOS-2-27989,Cn1nc(-c2ccc(Cl)cc2)cc1COc1cncc2nnc(-c3c(F)cccc3Cl)n12,WKHYRDKJCFAXJW-UHFFFAOYSA-N,2,1,0.512,34,671,469.307,5.217,5,0.353,0.75,1.0,0.6818501130834076,0.8827273661846343,0.8584572681790145,0.9090363922966213,0.8330177849359195
EOS-2-27990,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cccc(Cl)c5)n[nH]4)n23)ccc1Cl,BCEWBVUXYVNCFX-UHFFFAOYSA-N,2,1,0.619,88,570,469.307,5.249,5,0.368,0.76,1.0,0.8338444931807278,0.79977383318484,0.9204218353779727,0.9506202453567267,0.8761651017750668
EOS-2-27991,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1-c1ccc(Cl)cc1,IUEGNRKIXNSTGY-UHFFFAOYSA-N,2,1,0.68,34,570,469.307,5.217,5,0.353,0.77,1.0,0.6998749228976766,0.7398738948666986,0.9100558563498047,0.9399715578096086,0.8224440579809471
EOS-2-27992,Cn1cnc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,OQQVMPNWKMAMKF-UHFFFAOYSA-N,2,1,0.542,34,146,469.307,5.217,5,0.353,0.69,1.0,0.8029692961414571,0.877681447467617,0.8616441642108149,0.9113751627715715,0.8634175176478651
EOS-2-27993,CCn1nc(-c2ccc(F)cc2Cl)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,VYLPZWUFIKELTG-UHFFFAOYSA-N,2,1,0.507,34,417,469.307,5.913,5,0.32,0.73,1.0,0.6665153176615722,0.8909259132341855,0.8396100335823453,0.9011205537660202,0.8245429545610308
EOS-2-27994,Cn1cnc(-c2ccc(Cl)c(F)c2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,NALJQCBMMUBDCS-UHFFFAOYSA-N,2,1,0.588,34,929,469.307,5.217,5,0.353,0.66,1.0,0.9016688369542869,0.933023781783291,0.8843550818998013,0.9210986224384895,0.9100365807689672
EOS-2-27995,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1Cl,MVPMGNPVRRJVTP-UHFFFAOYSA-N,2,1,0.518,34,332,469.307,5.217,5,0.353,0.78,1.0,0.8638886985127818,0.8272051264478103,0.9416849427729422,0.9538414090877938,0.896655044205332
EOS-2-27996,Cc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)c(-c2ccc(Cl)cc2)n1C,INIOYXMLSHFFAI-UHFFFAOYSA-N,2,1,0.528,34,573,469.307,5.738,5,0.336,0.69,1.0,0.588067987115345,0.6877698581317251,0.7964412994311562,0.8806199026797341,0.7382247618394902
EOS-2-27997,CCn1cc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ccc2F)cn1,HYNHRSBLJKEHAF-UHFFFAOYSA-N,2,1,0.494,13,145,469.307,5.913,5,0.32,0.61,1.0,0.5313549448290041,0.7531526283325337,0.9242255499965732,0.9408625179905421,0.7873989102871632
EOS-2-27999,COc1cc(-c2nnc3cncc(-c4cn(C)nc4-c4ccc(F)c(Cl)c4)n23)ccc1Cl,ININRWDBUHRRNP-UHFFFAOYSA-N,2,1,0.351,45,102,469.307,5.313,5,0.357,0.75,1.0,0.34983894181344666,0.5962579672400795,0.9286889178260571,0.9374528819135083,0.7030596771982729
EOS-2-28000,Cn1ncc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)c1-c1ccc(Cl)cc1,PVOKZYCWXZBGOJ-UHFFFAOYSA-N,2,1,0.568,34,146,469.307,5.217,5,0.353,0.74,1.0,0.6221129463367829,0.735067850044548,0.9040675759029538,0.9408710849153588,0.8005298642999109
EOS-2-28001,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1-c1ccc(Cl)cc1,YQQXWBSUSGIXHI-UHFFFAOYSA-N,2,1,0.68,34,570,469.307,5.217,5,0.353,0.76,1.0,0.6966965937906929,0.7350764169693647,0.9100644232746213,0.9399801247344254,0.820454389692276
EOS-2-28002,Cn1nc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1-c1ccc(Cl)cc1,BNQMHKJDDPJXTK-UHFFFAOYSA-N,2,1,0.506,34,266,469.307,5.217,5,0.353,0.79,1.0,0.5442224659036392,0.6485847440202864,0.8879017887739017,0.9321927900760743,0.7532254471934754
EOS-2-28003,Cn1nc(-c2ccc(Cl)c(F)c2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,YDXROGIZUVKGIW-UHFFFAOYSA-N,2,1,0.603,34,372,469.307,5.217,5,0.353,0.75,1.0,0.8410492769515455,0.9389178260571586,0.9006836406003701,0.930599342060174,0.902812521417312
EOS-2-28004,Cn1ncc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c1-c1ccc(Cl)cc1,MUVKSHGUGBRWPS-UHFFFAOYSA-N,2,1,0.75,34,96,469.307,5.217,5,0.353,0.74,1.0,0.7515420464670002,0.827213693372627,0.9128658076896717,0.9432441230895757,0.8587164176547186
EOS-2-28005,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)ccc1-c1cn[nH]c1,ZGSPUOFILQGNMN-UHFFFAOYSA-N,2,1,0.583,88,222,469.307,5.249,5,0.368,0.74,1.0,0.9691590706599958,0.9614745390994449,0.9483671441299432,0.9648841751764786,0.9609712322664656
EOS-2-28006,Cc1ccn(-c2cc(COc3cncc4nnc(-c5c(Cl)cccc5Cl)n34)ccc2F)n1,UWXJHMXCFUAFFG-UHFFFAOYSA-N,2,1,0.518,34,671,469.307,5.31,5,0.349,0.75,1.0,0.4241313138235899,0.5764255362894936,0.8949523678980194,0.9190425604824892,0.703637944623398
EOS-2-28007,Cn1cc(Br)c(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cn2)n1,WIDRWPMUSCPOQP-UHFFFAOYSA-N,2,1,0.471,55,283,469.328,3.385,5,0.389,0.69,1.0,0.4379925981769584,0.4837656774724145,0.1454663833870194,0.13916112672195188,0.30159644643958605
EOS-2-28008,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4csc(Br)n4)n23)cc1,GTWVGYFGYXBDOE-UHFFFAOYSA-N,2,1,0.544,36,734,469.328,3.385,5,0.389,0.7,1.0,0.5519583990130903,0.5432886710986224,0.142587896648619,0.132530326913851,0.34259132341854565
EOS-2-28009,Brc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)s1,DZOFGLHBGFJDMZ-UHFFFAOYSA-N,2,1,0.56,15,499,469.328,3.417,5,0.406,0.76,1.0,0.8968627921321363,0.8272222602974436,0.22476183949009665,0.24116750051401548,0.547503598108423
EOS-2-28010,Clc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2)cc1,VOFSTKWDOVQDTA-UHFFFAOYSA-N,2,1,0.58,1,881,469.353,6.531,5,0.283,0.82,1.0,0.9167209238571722,0.9313703652936742,0.9224950311836063,0.939988691659242,0.9276437529984237
EOS-2-28011,COc1cnc(Cl)c(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)s2)n1,KAJZFNOHPVMJIF-UHFFFAOYSA-N,2,1,0.351,50,140,469.357,5.601,5,0.341,0.77,0.737,0.5313635117538208,0.6681087656774725,0.6334812555685011,0.6823898293468577,0.628835840586663
EOS-2-28012,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)c2)s1,PFSWNMZBHFUFKR-UHFFFAOYSA-N,2,1,0.506,16,655,469.357,5.504,5,0.338,0.8,1.0,0.6788688232472072,0.6433846206565691,0.7492375436913166,0.7916609553834556,0.7157879857446371
EOS-2-28013,Cc1snnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Cl)c1,SXTKPGZSWBOQDF-UHFFFAOYSA-N,2,1,0.645,43,909,469.357,5.504,5,0.338,0.76,1.0,0.7832568021383044,0.882735933109451,0.7368240696319649,0.827624905763827,0.8076104276608869
EOS-2-28014,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4Cl)n23)n1,OPJJNFKRWRKPNR-UHFFFAOYSA-N,2,1,0.523,11,639,469.357,5.238,5,0.317,0.65,1.0,0.7244876978959632,0.8079124117606744,0.7159293400041121,0.8027808237954903,0.76277756836406
EOS-2-28015,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)nn1,SRRYDBPHIDMENH-UHFFFAOYSA-N,2,1,0.517,72,848,469.357,5.238,5,0.339,0.79,1.0,0.8766448495648003,0.8935473922280858,0.6488760194640532,0.737286683572065,0.789088736207251
EOS-2-28016,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4Cl)n23)n1,DYCQOTFGYJYHNC-UHFFFAOYSA-N,2,1,0.506,11,0,469.357,5.238,5,0.317,0.77,1.0,0.8002450140497567,0.8635374545952985,0.6190973888013159,0.713222191762045,0.749025512302104
EOS-2-28017,Clc1cc(-c2nnc3cncc(OCCc4ncsc4Cl)n23)ccc1-c1cccnc1,HJQQUTVADOERQD-UHFFFAOYSA-N,2,1,0.554,35,490,469.357,5.238,5,0.339,0.7,1.0,0.739377013227332,0.8344184771434446,0.6304314303337674,0.7604859159756014,0.7411782091700363
EOS-2-28018,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ccnc(Cl)c5)s4)n23)ccc1Cl,OTESHJNJSFELCX-UHFFFAOYSA-N,2,1,0.5,97,91,469.357,5.504,5,0.316,0.69,1.0,0.7244962648207799,0.7745356726749366,0.7290453018984305,0.7803697484750873,0.7521117469673086
EOS-2-28019,Clc1nccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)n1,GTJXJCJAXRJZFC-UHFFFAOYSA-N,2,1,0.511,11,561,469.357,5.238,5,0.317,0.74,1.0,0.8986447124940031,0.8748457953533,0.6488845863888698,0.7158265369063121,0.7845504077856212
EOS-2-28020,Clc1ccccc1CCOc1cncc2nnc(-c3cc(-c4cnns4)ccc3Cl)n12,RIBJPAOIUMLHEL-UHFFFAOYSA-N,2,1,0.688,88,70,469.357,5.238,5,0.339,0.7,1.0,0.6081402919607978,0.8344270440682613,0.7861095881022548,0.8674268384620657,0.7740259406483448
EOS-2-28021,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cc1,HMLQVOZVIABSRQ-UHFFFAOYSA-N,2,1,0.461,19,207,469.357,5.238,5,0.339,0.7,1.0,0.7542149270098005,0.7787591666095538,0.6765814543211569,0.804931121924474,0.7536216674662463
EOS-2-28022,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nn2)cc1,HNABRTAYPNEPRX-UHFFFAOYSA-N,2,1,0.477,19,691,469.357,5.238,5,0.339,0.78,0.998,0.8592539921869645,0.857360701802481,0.6129206360084984,0.7552429579878007,0.7711945719964362
EOS-2-28023,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,FJTAADZVOBRPGD-UHFFFAOYSA-N,2,1,0.457,18,157,469.357,5.238,5,0.317,0.78,1.0,0.7061116441642108,0.7257384689191968,0.6819786169556576,0.7658402439860188,0.7199172435062711
EOS-2-28024,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c(Cl)c2)cs1,BMGSBFYHCCVRFI-UHFFFAOYSA-N,2,1,0.477,97,666,469.357,5.504,5,0.316,0.77,1.0,0.7245048317455967,0.791806593105339,0.7724453430196696,0.7985658967856898,0.7718306661640738
EOS-2-28025,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)c2)cs1,ZKORRJFNOGNQKR-UHFFFAOYSA-N,2,1,0.5,97,666,469.357,5.504,5,0.338,0.8,1.0,0.6248886299773834,0.6340381056815846,0.7392228085806319,0.7824258104310876,0.6951438386676718
EOS-2-28026,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4Cl)n23)n1,YLBUNRQQIIBUTB-UHFFFAOYSA-N,2,1,0.523,11,639,469.357,5.238,5,0.317,0.66,1.0,0.7803783153999041,0.854319443492564,0.6899287231855253,0.7753666643821534,0.7749982866150367
EOS-2-28027,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)nn1,OGMSCMVGBNZLFY-UHFFFAOYSA-N,2,1,0.543,72,628,469.357,5.238,5,0.339,0.67,0.999,0.8240096634911932,0.8607103694057981,0.689937290110342,0.7706976903570695,0.7863387533411007
EOS-2-28028,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c(Cl)s1,AKEWOAIXGBFDQR-UHFFFAOYSA-N,2,1,0.57,35,846,469.357,5.238,5,0.339,0.64,1.0,0.8986532794188198,0.9114351312452882,0.7215321088342129,0.777825371804537,0.8273614728257145
EOS-2-28029,Clc1cc(CCOc2cncc3nnc(-c4cccc(-c5csc(Cl)n5)c4)n23)ccn1,SEKUJVZXZBISGD-UHFFFAOYSA-N,2,1,0.568,11,595,469.357,5.238,5,0.317,0.72,1.0,0.8266996778836269,0.8482626276471797,0.7081334384209444,0.7580272085532177,0.7852807381262422
EOS-2-28030,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)nn1,SGAPNFNQUZWNRV-UHFFFAOYSA-N,2,1,0.553,72,848,469.357,5.238,5,0.339,0.76,1.0,0.9541155506819272,0.9443578233157426,0.6654187512850387,0.744996915907066,0.8272222602974437
EOS-2-28031,Clc1ccc(-c2nccnc2-c2nnc3cncc(OCCc4ccsc4Cl)n23)cc1,XDOIZWOVHDRRLS-UHFFFAOYSA-N,2,1,0.537,18,384,469.357,5.238,5,0.339,0.6,1.0,0.7601089712836681,0.7398824617915153,0.5784644643958604,0.7318895209375642,0.702586354602152
EOS-2-28032,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c(Cl)s1,GZSNQUGSAOGGMS-UHFFFAOYSA-N,2,1,0.557,24,583,469.357,5.238,5,0.339,0.7,1.0,0.7862038242752382,0.7575388938386677,0.6334898224933178,0.7104893427455281,0.721930470838188
EOS-2-28033,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)nc4)n23)cc1Cl,UAMYDCUSZRWGSW-UHFFFAOYSA-N,2,1,0.731,84,360,469.357,5.238,5,0.339,0.73,1.0,0.8389246795970119,0.8661075320402988,0.8089233088890412,0.8507213350695634,0.8411692138989788
EOS-2-28034,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncs5)n34)c2)cc1Cl,JKOCYLXCFRHRRQ-UHFFFAOYSA-N,2,1,0.566,35,884,469.357,5.238,5,0.339,0.71,1.0,0.7334915358782811,0.8234699472277431,0.7654632992940854,0.8417603317113289,0.7910462785278597
EOS-2-28035,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)c(Cl)c4)n23)s1,YPUPJQMDKVFTHP-UHFFFAOYSA-N,2,1,0.523,37,202,469.357,5.238,5,0.339,0.67,1.0,0.8705537660201494,0.9154787197587554,0.7794102528956206,0.8436022205469125,0.8522612398053594
EOS-2-28036,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)c1,ZIAGCIUDAMGLIJ-UHFFFAOYSA-N,2,1,0.518,35,143,469.357,5.238,5,0.317,0.66,1.0,0.797375094236173,0.8635460215201152,0.6654273182098553,0.7580357754780344,0.7710960523610444
EOS-2-28037,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c(Cl)c1,VTFVUQGTDLPRBG-UHFFFAOYSA-N,2,1,0.667,24,583,469.357,5.238,5,0.339,0.68,1.0,0.7363357549174149,0.7997824001096566,0.6981444040847098,0.7729422246590364,0.7518011959427043
EOS-2-28038,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)nc4)n23)c(Cl)c1,MJKWVZBYNJAIGR-UHFFFAOYSA-N,2,1,0.617,84,73,469.357,5.238,5,0.339,0.67,1.0,0.7150983482968953,0.8482711945719964,0.7900075388938387,0.8454184086080461,0.7996988725926941
EOS-2-28039,Fc1ccnnc1COc1cncc2nnc(-c3cc(-c4ccc(C(F)(F)F)nc4)ncn3)n12,HYBJSIFMDQUDCE-UHFFFAOYSA-N,2,1,0.388,27,52,469.362,3.17,5,0.358,0.61,0.997,0.6362997738331848,0.6340466726064012,0.8525546569803304,0.7290024672743473,0.712975892673566
EOS-2-28040,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)n2)nc1,XFDQWDFTBSGNRE-UHFFFAOYSA-N,2,1,0.505,51,930,469.362,3.17,5,0.358,0.68,1.0,0.8338530601055445,0.8855116167500514,0.7492461106161332,0.6028373654992804,0.7678620382427523
EOS-2-28041,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)nc2)cn1,JWTISMWJSABGHV-UHFFFAOYSA-N,2,1,0.372,27,52,469.362,3.17,5,0.283,0.69,1.0,0.5995390994448633,0.672966212048523,0.8296638338701939,0.7020851895003769,0.7010635837159893
EOS-2-28042,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)c(F)c5F)n34)cc2)nc1,LGFKFRNJGYXLOB-UHFFFAOYSA-N,2,1,0.568,57,13,469.373,5.128,5,0.203,0.74,1.0,0.979730655883764,0.9657237338085121,0.990045233363032,0.9884689191967652,0.9809921355630182
EOS-2-28043,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5F)c4)n23)c1F,GVUOBZCHRIYMFG-UHFFFAOYSA-N,2,1,0.5,59,13,469.373,5.128,5,0.264,0.77,1.0,0.9221180864916729,0.9192395997532725,0.9926838462065657,0.9936861764101158,0.9569319272154068
EOS-2-28044,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cc1F,NAWSGDFGPHBGOZ-UHFFFAOYSA-N,2,1,0.471,59,13,469.373,5.128,5,0.264,0.76,1.0,0.8569580563360976,0.8543280104173806,0.9911417997395655,0.9924525392365157,0.9237201014323898
EOS-2-28045,Fc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c(F)c2)c1,WAGXGGWVNOYEHR-UHFFFAOYSA-N,2,1,0.494,57,163,469.373,5.943,5,0.305,0.82,1.0,0.9209786854910561,0.9639589472962785,0.9960506476595161,0.9933949009663491,0.9685957953533
EOS-2-28046,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(F)c(F)c(F)c5)c4)n23)cc1F,QFZVGCMZIIDKOC-UHFFFAOYSA-N,2,1,0.61,59,13,469.373,5.128,5,0.264,0.72,1.0,0.9710780618189295,0.9623826331300116,0.9930265231992325,0.9940545541772325,0.9801354430813516
EOS-2-28047,Fc1ccc(-c2ncc(F)cc2COc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cc1,RGSAILIBKVARML-UHFFFAOYSA-N,2,1,0.554,57,13,469.373,5.128,5,0.264,0.76,1.0,0.9691676375848125,0.959898224933178,0.985093550818998,0.9862843533685148,0.9751109416763758
EOS-2-28048,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cc2F)cc1F,JBQXLVQQLBFBKX-UHFFFAOYSA-N,2,1,0.57,88,13,469.373,5.128,5,0.334,0.74,1.0,0.9564543211568776,0.9639675142210952,0.9906363511753821,0.9927866493043657,0.9759612089644301
EOS-2-28049,Fc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(F)c1,LNXBYLDEEOQHAP-UHFFFAOYSA-N,2,1,0.394,96,533,469.373,5.943,5,0.305,0.8,1.0,0.7917123569323555,0.9134055239531218,0.9966846000959496,0.9944486327187992,0.9240627784250566
EOS-2-28050,FC(F)(F)Oc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cn3)n12,YEVGRDDYHUBYRC-UHFFFAOYSA-N,2,1,0.515,19,54,469.383,3.756,5,0.352,0.66,0.999,0.8290041806593106,0.7026677403879104,0.8644626824754986,0.739942430265232,0.7840192584469879
EOS-2-28051,CCOc1cncc2nnc(-c3ccc(-c4noc(-c5ccc(OC(F)(F)F)cc5)n4)cn3)n12,ZRVJYLBMHCVHFQ-UHFFFAOYSA-N,2,1,0.512,27,996,469.383,4.201,5,0.361,0.82,1.0,0.7213607703378795,0.7350849838941813,0.8240524981152766,0.6823983962716743,0.7407241621547529
EOS-2-28052,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(OC(F)F)c5)nc4)n23)n1,YBAZVMYRJOHZKW-UHFFFAOYSA-N,2,1,0.433,55,185,469.387,2.696,5,0.332,0.69,0.999,0.5364351312452882,0.6537934343088205,0.5755345761085601,0.4749931464601467,0.5601890720307039
EOS-2-28053,COc1nc(-c2nnc3cncc(OCc4cn(C(F)F)nn4)n23)ccc1-c1cccc(F)n1,BEYMCPIASHCCLG-UHFFFAOYSA-N,2,1,0.426,49,122,469.387,2.962,5,0.332,0.53,1.0,0.31058529230347476,0.41316565005825506,0.40841100678500447,0.31050818998012475,0.36066753478171476
EOS-2-28054,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnccn4)n23)c(OC(F)(F)F)c1,CHNIHRGCKRLYBP-UHFFFAOYSA-N,2,1,0.457,27,815,469.387,2.854,5,0.37,0.68,1.0,0.5939962990884792,0.5816941950517442,0.762970324172435,0.60001028030978,0.6346677746556095
EOS-2-28055,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cn2)n1,KEJUFCOCXMBWLQ-UHFFFAOYSA-N,2,1,0.566,36,51,469.387,2.854,5,0.37,0.71,1.0,0.6758703995613734,0.6386813789322184,0.7444657665684326,0.6061613323281475,0.6662947193475429
EOS-2-28056,O=c1c(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)ccc(F)n1C(F)F,BHVLXNAYXVBHFH-UHFFFAOYSA-N,2,1,0.535,15,499,469.387,2.289,5,0.36,0.58,1.0,0.6603985333424713,0.6009183743403468,0.5655712425467754,0.5397333972997053,0.5916553868823247
EOS-2-28057,Cn1nnc(-c2ncc(F)cc2COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,SAPVQZYXLRUWHE-UHFFFAOYSA-N,2,1,0.635,36,996,469.387,2.696,5,0.354,0.6,1.0,0.7028476458090603,0.8041172640668905,0.5080871770269344,0.49921184291686654,0.628565982454938
EOS-2-28058,Cc1onc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,PUDAPXBPUONUEZ-UHFFFAOYSA-N,2,1,0.6,1,138,469.398,5.492,5,0.317,0.76,1.0,0.962605373175245,0.9313789322184909,0.9795678843122473,0.9595555479405112,0.9582769344116235
EOS-2-28059,Fc1nc(-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)ccc1-c1cncnc1,BUHGUGCWEXPPSE-UHFFFAOYSA-N,2,1,0.337,80,843,469.4,2.201,6,0.328,0.55,1.0,0.5495425262147899,0.3989531217874032,0.1642536495099719,0.16202624905763827,0.31869388664245085
EOS-2-28060,Fc1nc(-c2nnc3cncc(OCc4noc(-c5ccccn5)n4)n23)ccc1-c1cncnn1,OEQYPTWMIXOAGI-UHFFFAOYSA-N,2,1,0.386,6,843,469.4,2.201,6,0.328,0.55,1.0,0.4758841066410801,0.3989616887122199,0.07437804125830992,0.08751113700226167,0.2591837434034679
EOS-2-28061,Cc1nc(F)cn1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nc1,LKEAIUOMYDRCFK-UHFFFAOYSA-N,2,1,0.522,27,51,469.402,4.417,5,0.355,0.67,1.0,0.6665238845863889,0.6631827839078884,0.9690048660132958,0.9133969570283051,0.8030271228839696
EOS-2-28062,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)c(F)c2)n1C,VKRMSELQEHPTIS-UHFFFAOYSA-N,2,1,0.494,61,121,469.402,4.6,5,0.358,0.82,1.0,0.5007367555342335,0.7704235487629361,0.9389520937564252,0.9021742855184703,0.7780716708930162
EOS-2-28063,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)ccc1F,LCIXKXQJICDYCJ-UHFFFAOYSA-N,2,1,0.573,43,138,469.402,4.324,5,0.357,0.7,0.999,0.7425810431087657,0.7997909670344733,0.9821379617572477,0.9588444931807278,0.8708386162703036
EOS-2-28064,Cn1nc(-c2ccc(F)cn2)cc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,AYJJDMNQXVLFAD-UHFFFAOYSA-N,2,1,0.483,27,51,469.402,4.324,5,0.357,0.73,1.0,0.8002535809745733,0.8272308272222603,0.9577136591049277,0.912446028373655,0.8744110239188541
EOS-2-28065,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)cc4F)n23)c1,CZMAZWHXHWRGSG-UHFFFAOYSA-N,2,1,0.511,26,619,469.402,4.345,5,0.33,0.65,1.0,0.8861113014872182,0.7918151600301556,0.9416935096977589,0.9211071893633062,0.8851817901446097
EOS-2-28066,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)(F)F)c(F)c4)n23)c1,ZSPMDUSNXUTLCJ-UHFFFAOYSA-N,2,1,0.489,27,51,469.402,4.324,5,0.357,0.68,1.0,0.7118429168665615,0.6827753409636077,0.9808786238091974,0.9440494140223425,0.8298865739154273
EOS-2-28067,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)nn1C(F)F,AQKWDEZETAFQTH-UHFFFAOYSA-N,2,1,0.548,43,178,469.402,4.611,5,0.338,0.7,1.0,0.8705623329449661,0.7445171681173326,0.8616527311356316,0.8113820163114248,0.8220285621273388
EOS-2-28068,Cn1nc(-c2ccccn2)c(COc2cncc3nnc(-c4ccc(F)cc4)n23)c1C(F)(F)F,JRUBWVKXUAPUGH-UHFFFAOYSA-N,2,1,0.585,43,679,469.402,4.324,5,0.357,0.62,1.0,0.7090929340004112,0.8041258309917072,0.8742461106161332,0.8178072099239257,0.8013180213830442
EOS-2-28069,CCn1nncc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1F,BNAQAPFERGLLPL-UHFFFAOYSA-N,2,1,0.545,59,607,469.402,4.205,5,0.274,0.66,1.0,0.5625728188609417,0.6778579261188403,0.8984391062984032,0.8985847440202864,0.7593636488246179
EOS-2-28070,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnn(C(F)F)c5)c4)n23)c1,NCMJQJKODXCQKQ-UHFFFAOYSA-N,2,1,0.533,37,394,469.402,4.345,5,0.33,0.69,1.0,0.7118514837913782,0.7663114248509355,0.9215012679048729,0.897231169899253,0.8242238366116098
EOS-2-28071,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)c(F)c5F)n34)cn2)cn1,AVFUSBXFSSIZCB-UHFFFAOYSA-N,2,1,0.538,84,468,469.402,3.765,5,0.214,0.69,1.0,0.6697022136933726,0.7073881159618943,0.9234373929134397,0.8820077445000343,0.7956338667671853
EOS-2-28072,Cn1nc(-c2ccccc2)nc1COc1cncc2nnc(-c3ccc(C(F)(F)F)c(F)c3)n12,IVBLJBNJKMNGLG-UHFFFAOYSA-N,2,1,0.489,43,679,469.402,4.324,5,0.357,0.75,1.0,0.6788773901720239,0.8041343979165239,0.8961860050716195,0.8397899390034953,0.8047469330409156
EOS-2-28073,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)cc1F,FCZYSVXBRNMESC-UHFFFAOYSA-N,2,1,0.69,84,360,469.402,4.345,5,0.33,0.69,1.0,0.783265369063121,0.8272393941470769,0.9360821739428414,0.902182852443287,0.8621924473990815
EOS-2-28074,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C(F)F)n5)c(F)c4)n23)cn1,JSHRLDCUOWMYKI-UHFFFAOYSA-N,2,1,0.562,37,669,469.402,4.345,5,0.261,0.68,1.0,0.7719141936810363,0.8377767116715784,0.9185456788431224,0.8820163114248509,0.852563223905147
EOS-2-28075,COc1ncc(-c2ccn(C)n2)cc1-c1cncc2nnc(-c3ccc(C(F)(F)F)c(F)c3)n12,PKIZNACMFNKQBB-UHFFFAOYSA-N,2,1,0.33,61,315,469.402,4.42,5,0.363,0.75,1.0,0.3954064149133027,0.5482831882667397,0.9700842985401961,0.907854156671921,0.7054070145980399
EOS-2-28076,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)cc1F,XDQBTHOFOWMBFW-UHFFFAOYSA-N,2,1,0.595,88,70,469.402,3.765,5,0.278,0.62,1.0,0.9195994105955726,0.915487286683572,0.8974196422452196,0.8833955863203344,0.9039754814611747
EOS-2-28077,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cc(F)c(F)c4F)n23)cc1,FVNDTRQEVBQUOZ-UHFFFAOYSA-N,2,1,0.518,43,520,469.402,4.205,5,0.211,0.63,1.0,0.8569666232609142,0.7531611952573504,0.8843636488246179,0.8609759440751148,0.8388668528544994
EOS-2-28078,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cn5)n34)ccc2F)cn1,BBGIAXIJSFEINS-UHFFFAOYSA-N,2,1,0.529,27,394,469.402,4.324,5,0.357,0.68,1.0,0.49558803371941607,0.7257470358440135,0.9824035364265643,0.9525649372901104,0.789075885820026
EOS-2-28079,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cn4)n23)cc1F,JJKPLTWRSSSCHE-UHFFFAOYSA-N,2,1,0.581,84,308,469.402,4.345,5,0.33,0.72,1.0,0.7091015009252278,0.6243831814131999,0.9360907408676582,0.9032451511205538,0.7932051435816599
EOS-2-28080,Cn1c(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cc2)nnc1C(F)(F)F,XDZJLZFVJUXQDR-UHFFFAOYSA-N,2,1,0.676,43,138,469.402,4.324,5,0.357,0.79,1.0,0.884415050373518,0.8543365773421973,0.8974282091700363,0.8316770612021109,0.8669642245219655
EOS-2-28081,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)c(F)cc4F)n23)ccc1F,WFVIAQFKGPTDCF-UHFFFAOYSA-N,2,1,0.575,88,70,469.402,3.765,5,0.278,0.68,1.0,0.856975190185731,0.8377852785963951,0.9194966074977726,0.9124545952984716,0.8816779178945926
EOS-2-28082,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1c(F)cc(F)cc1F,RPVUYEMVCSKBQY-UHFFFAOYSA-N,2,1,0.457,95,562,469.402,3.765,5,0.352,0.64,0.659,0.5238417517647865,0.4532931258995271,0.8009646357343568,0.8198033034062093,0.6494757042012199
EOS-2-28083,Fc1cc(-c2cncn2C(F)F)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,LIJKXZTXWFMLRD-UHFFFAOYSA-N,2,1,0.505,26,161,469.402,4.345,5,0.33,0.67,1.0,0.6305599342060174,0.6154907134534987,0.947827427866493,0.9283034062093071,0.7805453704338291
EOS-2-28084,Fc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ccn(C(F)F)n1,NKIWKRFREPUYEP-UHFFFAOYSA-N,2,1,0.516,37,563,469.402,4.345,5,0.33,0.68,1.0,0.7486035912548832,0.7997995339592899,0.8779812898362004,0.8491193201288465,0.818875933794805
EOS-2-28085,Fc1cccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5F)n34)cc2)n1,XPFNOOZJDHSNTM-UHFFFAOYSA-N,2,1,0.435,77,323,469.411,4.974,6,0.326,0.55,1.0,0.8569837571105476,0.7704321156877527,0.8313686519087109,0.8049396888492907,0.8159310533890755
EOS-2-28086,Fc1cc(-c2nnco2)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,XBDJOQWUHFCKFI-UHFFFAOYSA-N,2,1,0.43,30,923,469.411,4.974,6,0.348,0.66,1.0,0.7542234939346172,0.6877784250565417,0.7900161058186553,0.7707062572818861,0.7506810705229251
EOS-2-28087,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(-c6nnco6)cc5)nc4)n23)c(F)c1,NITXSFSZRIWKJM-UHFFFAOYSA-N,2,1,0.455,77,923,469.411,4.974,6,0.348,0.79,1.0,0.711860050716195,0.6926101706531423,0.839618600507162,0.8217993968884929,0.766472054691248
EOS-2-28088,Fc1cccc(Oc2nccnc2-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1F,WTHFAPQLMIYVJY-UHFFFAOYSA-N,2,1,0.35,41,192,469.411,4.974,6,0.348,0.69,0.999,0.6420653142348023,0.6433931875813858,0.790024672743472,0.7658488109108355,0.7103329963676238
EOS-2-28089,Fc1ccc(Oc2ncccc2-c2nnc3cncc(-c4nnc(-c5ccc(F)cc5)o4)n23)cc1,STPNSHBPAKATGT-UHFFFAOYSA-N,2,1,0.387,83,950,469.411,4.974,6,0.348,0.72,1.0,0.5107343567952848,0.6582825029127545,0.6628401069152217,0.7075851552326777,0.6348605304639847
EOS-2-28090,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnc(F)cn6)cc5F)n34)cc2)o1,GRXTYVKMQOQVKR-UHFFFAOYSA-N,2,1,0.35,42,424,469.415,3.947,6,0.378,0.68,1.0,0.30281509149475705,0.44005722705777534,0.5150520869028853,0.49922040984168325,0.43928620382427525
EOS-2-28091,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cc6nccnc6nn5)cc4)n23)c(F)c1,MUGHHPUZVMAOBX-UHFFFAOYSA-N,2,1,0.453,40,22,469.415,3.444,6,0.374,0.54,1.0,0.7601175382084847,0.7211123295181961,0.5319374957165376,0.5627355904324584,0.6439757384689192
EOS-2-28092,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccnc(F)c6)c5)n34)c(F)c2)no1,GKMVXCUIWAFOBI-UHFFFAOYSA-N,2,1,0.311,42,693,469.415,3.947,6,0.353,0.63,1.0,0.297683503529573,0.4222380234391063,0.5755431430333767,0.5787214721403605,0.4685465355356041
EOS-2-28093,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6F)cn5)n34)c(F)c2)o1,MEKQENCORDJTHU-UHFFFAOYSA-N,2,1,0.341,10,72,469.415,3.947,6,0.353,0.62,1.0,0.2894678226303886,0.4266499897196902,0.497241450209033,0.4992289767664999,0.42814705983140294
EOS-2-28094,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(F)nc6)cn5)n34)c(F)c2)o1,XRBCEESYSYGNDT-UHFFFAOYSA-N,2,1,0.341,42,72,469.415,3.947,6,0.353,0.69,1.0,0.30787814406140773,0.4533016928243438,0.5319460626413542,0.5298985676101706,0.4557561167843191
EOS-2-28095,O=c1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6)nn5)n34)cc2F)n[nH]1,YNQLKKUAORZBQM-UHFFFAOYSA-N,2,1,0.319,3,783,469.415,3.068,6,0.421,0.65,0.843,0.14419847851415257,0.33142005345761083,0.639957850729902,0.7104979096703448,0.45651857309300253
EOS-2-28096,Cc1noc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)nn2)n1,KQNDJLJJUHGUDD-UHFFFAOYSA-N,2,1,0.333,10,572,469.415,3.947,6,0.378,0.68,1.0,0.3230244671372764,0.4266585566445069,0.36417997395654855,0.45961551641422793,0.39336962853813995
EOS-2-28097,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(-c6c[nH]nn6)cc5)nn4)n23)cc1F,ZHJPRHDPZKBDID-UHFFFAOYSA-N,2,1,0.483,3,15,469.415,4.104,6,0.401,0.66,0.999,0.6026403262284971,0.5817027619765609,0.7344081968336645,0.7527671167157837,0.6678796004386266
EOS-2-28098,Cn1cc(-c2cnc(-c3nnc4cncc(-c5cnc(-c6cnc(F)cn6)cn5)n34)c(F)c2)cn1,KXKKTCGZSKJBDO-UHFFFAOYSA-N,2,1,0.288,86,443,469.419,2.779,6,0.383,0.61,1.0,0.12778425056541703,0.22513878418203,0.3641885408813652,0.3709564114865328,0.2720169967788363
EOS-2-28099,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(F)nn6)cn5)n34)c(F)c2)n[nH]1,WAKHLMCVRFPCIP-UHFFFAOYSA-N,2,1,0.314,98,167,469.419,3.077,6,0.413,0.61,0.998,0.26771640052086904,0.38445788499760125,0.3268881502295936,0.35461928586114727,0.3334204304023028
EOS-2-28100,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cc(F)ccn5)n4)n23)c(F)c1,YKQWIAFHVYJUCC-UHFFFAOYSA-N,2,1,0.31,8,765,469.419,2.779,6,0.383,0.63,0.999,0.20244500034267698,0.33628606675347816,0.30113597423069016,0.3869679939688849,0.30670875882393256
EOS-2-28101,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cncc(F)n6)cc5F)n34)cc2)n[nH]1,JERBUSLZNURUSJ-UHFFFAOYSA-N,2,1,0.325,98,167,469.419,3.077,6,0.413,0.55,1.0,0.22452196559522994,0.28130354328010415,0.2642382290453019,0.307304160098691,0.26934197450483177
EOS-2-28102,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)nc5)n34)cc2)o1,GKSWTDVFDLUQGX-UHFFFAOYSA-N,2,1,0.511,81,49,469.421,2.874,6,0.338,0.7,1.0,0.5238503186896032,0.27630045918717017,0.17043896922760607,0.10131245288191351,0.26797554999657325
EOS-2-28103,COc1cc(-c2nnc3cncc(OCc4nc(-c5cnccn5)no4)n23)ccc1-c1ccon1,MUFQYBGNHPWDQL-UHFFFAOYSA-N,2,1,0.464,80,355,469.421,2.874,6,0.338,0.65,1.0,0.3680607908984991,0.2659687478582688,0.11645020903296553,0.08044342402851072,0.207730792954561
EOS-2-28104,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccc6)o5)n34)cn2)o1,LTVZUUAZMSKSAP-UHFFFAOYSA-N,2,1,0.398,81,218,469.421,2.874,6,0.338,0.7,0.999,0.4426273045027757,0.30706428620382425,0.045293331505722706,0.029804331437187307,0.2061973134123775
EOS-2-28105,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccno5)nn4)n23)ccc1-c1nnco1,GQZXGFZIKHFSLN-UHFFFAOYSA-N,2,1,0.468,81,117,469.421,2.874,6,0.338,0.59,1.0,0.33326194229319445,0.17848331163045714,0.1969107669111096,0.1260879994517168,0.2086860050716195
EOS-2-28106,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6nnc(C)o6)n5)n34)cc2)no1,LYFPDFHVBFKRCD-UHFFFAOYSA-N,2,1,0.43,71,415,469.425,2.272,6,0.348,0.74,1.0,0.4037163319854705,0.2406534850250154,0.013792748954835172,0.008001507778767734,0.1665410184360222
EOS-2-28107,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6n[nH]c(=O)[nH]6)nc5)n34)n2)no1,ZZJUVQCKQCNCEO-UHFFFAOYSA-N,2,1,0.41,6,464,469.425,1.597,6,0.362,0.52,0.992,0.41046706874100475,0.3268110479062436,0.036537934343088205,0.0242443972311699,0.19951511205537661
EOS-2-28108,Fc1cccc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6cnco6)c(F)c5)n34)c2)c1,KPGZMPXCLABKFB-UHFFFAOYSA-N,2,1,0.413,83,192,469.426,6.198,6,0.308,0.75,1.0,0.4354824892056747,0.6105047632101981,0.977768830100747,0.9835343705023645,0.7518226132547461
EOS-2-28109,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)on2)n1CCF,VYVOOFLYSYHEKS-UHFFFAOYSA-N,2,1,0.5,27,51,469.427,4.437,5,0.332,0.67,0.999,0.5764341032143102,0.43119045987252413,0.5879737509423617,0.5365465012679048,0.5330362038242752
EOS-2-28110,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6noc(C)n6)nn5)n34)nc2)n[nH]1,VSUUDCQVRCAFRO-UHFFFAOYSA-N,2,1,0.36,7,828,469.429,1.402,6,0.369,0.67,0.846,0.32303303406209305,0.2505654170379001,0.004763210198067302,0.0018675896100335823,0.14505731272702352
EOS-2-28111,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cc(F)cc(F)c6)n5)n34)cc2)cc1,ZYXFPIXVWTXQCS-UHFFFAOYSA-N,2,1,0.392,83,550,469.43,5.123,6,0.358,0.73,0.991,0.09393633061476253,0.4083424713864711,0.9062007401823041,0.9382581728462751,0.5866844287574533
EOS-2-28112,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(F)cc(F)c6)c5)n34)cc2)nc1,FLJKPYCBQMLULC-UHFFFAOYSA-N,2,1,0.329,3,673,469.43,5.123,6,0.358,0.78,1.0,0.06414913302720855,0.30707285312864097,0.9341374820094579,0.9440579809471592,0.5623543622781166
EOS-2-28113,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6F)c5)n34)cc2)nc1,BHKLQNRRQUJXCX-UHFFFAOYSA-N,2,1,0.306,3,668,469.43,5.123,6,0.358,0.74,1.0,0.07782194503461037,0.35114111438558016,0.934882804468508,0.9425330683297923,0.5765947330546227
EOS-2-28114,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)c(F)c6)c5)n34)cn2)cc1,CUBVHXDNTHNKAL-UHFFFAOYSA-N,2,1,0.327,3,673,469.43,5.123,6,0.358,0.74,0.996,0.036974847508738265,0.3561013638544308,0.943081351518059,0.9531046535535604,0.5723155541086972
EOS-2-28115,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cc(F)ncc6F)cc5)n34)cn2)cc1,BHRIDPMECDZWSR-UHFFFAOYSA-N,2,1,0.349,3,668,469.43,5.123,6,0.335,0.7,1.0,0.04716948804057296,0.34641217188677953,0.9466880268658763,0.9531132204783771,0.5733457268179014
EOS-2-28116,Fc1cc(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)c(F)c1,MSNULBYCRRMHSV-UHFFFAOYSA-N,2,1,0.333,83,192,469.43,5.328,6,0.377,0.67,1.0,0.3542509080940306,0.5341648961688712,0.9442550202179426,0.9479387978891097,0.6951524055924885
EOS-2-28117,Fc1ccc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c1F,OFYOOTSLTBOROZ-UHFFFAOYSA-N,2,1,0.346,93,991,469.43,5.123,6,0.335,0.66,1.0,0.05876910424234117,0.3704423959975327,0.9019172777739702,0.933023781783291,0.5660381399492838
EOS-2-28118,Fc1cc(-c2ccc(F)c(F)n2)ccc1-c1nnc2cncc(-c3cn(-c4ccccc4)cn3)n12,LEZUXMIOVGYMOQ-UHFFFAOYSA-N,2,1,0.329,30,298,469.43,5.123,6,0.335,0.69,0.909,0.12212151326159962,0.36074463710506477,0.9138167363443218,0.9223322596120896,0.5797537865807689
EOS-2-28119,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncnn5-c5ccc(F)c(F)c5)n34)cc2)c1,WFEFATCJQYDLFF-UHFFFAOYSA-N,2,1,0.366,83,550,469.43,5.123,6,0.358,0.67,1.0,0.053586114728257146,0.3753426769926667,0.9110410527037215,0.9432526900143924,0.5708056336097594
EOS-2-28120,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6F)nn5)n34)cc2)cc1,LPNNQOAYWFVPRU-UHFFFAOYSA-N,2,1,0.367,83,991,469.43,5.123,6,0.358,0.76,1.0,0.1087656774724145,0.43119902679734085,0.9294513741347405,0.9519652525529436,0.6053453327393599
EOS-2-28121,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnn(C(F)F)c4)n23)cc1F,CRTHZRVLFRLHFC-UHFFFAOYSA-N,2,1,0.522,36,908,469.431,3.422,5,0.343,0.62,1.0,0.5880765540401618,0.6974504831745597,0.508095743951751,0.4470821054074429,0.5601762216434789
EOS-2-28122,CCn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1cnn(C(F)F)c1,KBUTYGNIQVBWCB-UHFFFAOYSA-N,2,1,0.429,31,569,469.431,3.422,5,0.343,0.66,1.0,0.2783993557672538,0.1502295935850867,0.4835943389760812,0.42477383318483997,0.33424928037831536
EOS-2-28123,CCn1nc(-c2nc(C)nn2C)cc1-c1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,CHJWKPSGNNWQDK-UHFFFAOYSA-N,2,1,0.451,50,542,469.431,3.677,5,0.387,0.72,0.999,0.377424439723117,0.3654992803783154,0.4663234185456788,0.39630594201905284,0.40138827016654105
EOS-2-28124,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5F)n34)cc2)o1,LBLLPKKLTJDCJF-UHFFFAOYSA-N,2,1,0.5,77,323,469.436,4.523,6,0.347,0.73,1.0,0.9288174216983072,0.7488348982249332,0.6792200671646905,0.5787300390651772,0.733900606538277
EOS-2-28125,CCOc1cc(-c2ccon2)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3F)n12,PIWVRAUHYIVXER-UHFFFAOYSA-N,2,1,0.355,3,923,469.436,4.701,6,0.342,0.64,1.0,0.5442310328284559,0.5386453978479885,0.6516345692550202,0.5754403399355768,0.5774878349667603
EOS-2-28126,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6cnco6)n5)n34)cc2)o1,TXKXIOPMXXABOH-UHFFFAOYSA-N,2,1,0.523,41,25,469.436,4.523,6,0.347,0.7,1.0,0.7633301350147351,0.6877869919813584,0.5522839421561236,0.45006339524364336,0.6133661160989652
EOS-2-28127,COc1ccn(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5F)n34)cc2)c1,BUAWEUUJGROGFE-UHFFFAOYSA-N,2,1,0.436,77,722,469.436,4.572,6,0.349,0.73,1.0,0.5625813857857583,0.5295987252415872,0.769986635597286,0.6530309780001371,0.6287994311561922
EOS-2-28128,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncco4)c(F)c3C)n12,WLSZXKVRWNVDQD-UHFFFAOYSA-N,2,1,0.302,9,923,469.436,4.619,6,0.356,0.66,0.999,0.5968062504283462,0.5157631416626688,0.6161160989651154,0.49002809951339865,0.5546783976423822
EOS-2-28129,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)cc1,AJZARBTWJXKDSW-UHFFFAOYSA-N,2,1,0.512,67,245,469.44,3.355,6,0.361,0.71,1.0,0.7274518538825303,0.48834898224933176,0.46633198547049554,0.4054725515728874,0.5219013432938113
EOS-2-28130,Cc1nc(-c2ncon2)ccc1COc1cncc2nnc(-c3ccc(-c4cc(F)[nH]n4)cc3)n12,WZYKFPQLWXQCBR-UHFFFAOYSA-N,2,1,0.478,40,763,469.44,3.653,6,0.388,0.56,1.0,0.7973836611609897,0.6290435885134672,0.37948906860393394,0.3289356452607772,0.5337129908847921
EOS-2-28131,Cn1nccc1-c1nc(COc2cncc3nnc(-c4ccc(-c5cocn5)cn4)n23)ccc1F,NCTBBKXBFVGEIK-UHFFFAOYSA-N,2,1,0.438,6,826,469.44,3.355,6,0.361,0.58,0.992,0.4310962236995408,0.38003735179220066,0.3158453841409088,0.26824754985950244,0.3488066273730382
EOS-2-28132,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)c(F)c5)n34)nc2)n1,WESKYRJNGDQQDM-UHFFFAOYSA-N,2,1,0.467,6,826,469.44,3.355,6,0.361,0.69,1.0,0.5364436981701048,0.42666712356932357,0.46283668014529505,0.3869765608937016,0.4532310156946062
EOS-2-28133,COc1cc(-c2nncn2C)cc(F)c1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,XKDLQLMPDUGJTD-UHFFFAOYSA-N,2,1,0.341,67,642,469.44,3.452,6,0.374,0.73,1.0,0.46603214310191216,0.4444948941128093,0.41919676512918924,0.3546278527859639,0.4210879137824686
EOS-2-28134,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)c(F)c1,LQEUQCKGZFUCDO-UHFFFAOYSA-N,2,1,0.462,6,247,469.44,3.355,6,0.361,0.67,1.0,0.7182424097046124,0.5386539647728051,0.4013261599616202,0.33876190802549516,0.4992461106161332
EOS-2-28135,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cncc(F)c6)n5)n34)cc2)cn1,PBAHPBFAQBDHMT-UHFFFAOYSA-N,2,1,0.43,56,197,469.44,3.355,6,0.361,0.67,1.0,0.5007453224590501,0.5070591460489343,0.3452727708861627,0.31958056336097596,0.41816445068878083
EOS-2-28136,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2F)o1,GJVVWMXGZRWDTA-UHFFFAOYSA-N,2,1,0.495,71,932,469.44,3.449,6,0.361,0.67,1.0,0.39096018093345214,0.41788602563223903,0.3530172709204304,0.2978205743266397,0.36492101295319035
EOS-2-28137,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cn(C)nc3-c3ccc(F)cn3)n12,FCGPNVGAKBECHW-UHFFFAOYSA-N,2,1,0.305,98,727,469.44,3.452,6,0.374,0.59,0.898,0.3843722157494346,0.3941042423411692,0.3491278870536632,0.3041857994654239,0.3579475361524227
EOS-2-28138,Cn1nc(-c2ncco2)nc1COc1cncc2nnc(-c3ccc(-c4ccnc(F)c4)cc3)n12,HTYPUTAVYJHHRU-UHFFFAOYSA-N,2,1,0.441,40,25,469.44,3.355,6,0.338,0.66,0.981,0.5792697553286272,0.5575440339935577,0.16117812350078817,0.18922623535055857,0.3718045370433829
EOS-2-28139,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(F)cc5)n4)n23)cc1,PQGBXDOQIXXUHT-UHFFFAOYSA-N,2,1,0.518,67,893,469.44,3.355,6,0.361,0.74,1.0,0.6194400657939826,0.5575526009183743,0.2538037146186005,0.27380748406551986,0.4261509663491193
EOS-2-28140,Cn1cc(-c2nnc3cncc(OCc4cc(-c5nnco5)c(F)cn4)n23)c(-c2ccccc2)n1,MOOYSGOHDJZJIQ-UHFFFAOYSA-N,2,1,0.453,81,218,469.44,3.355,6,0.361,0.59,1.0,0.3932047152354191,0.3464207388115962,0.2831539990405044,0.2828969912960044,0.32641911109588106
EOS-2-28141,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5F)n34)nc2)cn1,CWTYLZNPNCUQKM-UHFFFAOYSA-N,2,1,0.495,71,117,469.44,3.355,6,0.361,0.6,1.0,0.5007538893838668,0.4883575491741485,0.515060653827702,0.42182681104790626,0.4814997258584059
EOS-2-28142,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnco5)c4)n23)cc1,SSCQMOAEEZJDDC-UHFFFAOYSA-N,2,1,0.566,67,755,469.44,3.355,6,0.361,0.64,1.0,0.8108680008224248,0.5962665341648962,0.4558717702693441,0.4121547529298883,0.5687902645466384
EOS-2-28143,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5nnco5)ccc4F)n23)cc1,RAZRGSUIZYETLK-UHFFFAOYSA-N,2,1,0.506,67,755,469.44,3.355,6,0.361,0.69,1.0,0.7393855801521486,0.5764341032143102,0.47328832842162977,0.4247824001096566,0.5534726029744363
EOS-2-28144,COc1nc(-c2nnc3cncc(OCCc4cncc(C#N)c4)n23)ccc1-c1ncc(F)cn1,NQWSQZYTTKJIFR-UHFFFAOYSA-N,2,1,0.433,49,896,469.44,2.679,5,0.35,0.61,1.0,0.8616784319100815,0.6778664930436571,0.3195634295113426,0.25621102049208416,0.5288298437392913
EOS-2-28145,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnco5)n4)n23)cc1F,ACNSONCFHWXQAD-UHFFFAOYSA-N,2,1,0.467,80,350,469.44,3.355,6,0.361,0.7,1.0,0.6510605852923035,0.52514392433692,0.46993866081831265,0.40247412788705367,0.5121543245836475
EOS-2-28146,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnco6)c(F)c5)n34)nc2)n1C,QIFNLHXHYRDYIG-UHFFFAOYSA-N,2,1,0.375,67,622,469.44,3.877,6,0.37,0.68,1.0,0.5570471523541909,0.4979439380439997,0.4192053320540059,0.32271605784387636,0.4492281200740182
EOS-2-28147,Cc1ncc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c(F)c2)n1C,LJHQEIOGVRTQCD-UHFFFAOYSA-N,2,1,0.379,67,622,469.44,3.877,6,0.37,0.7,1.0,0.562589952710575,0.5157717085874854,0.3794976355287506,0.27984716606127064,0.43442661572202046
EOS-2-28148,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6nnco6)c5)n34)cc2)n[nH]1,UGEFEYBONCTIBF-UHFFFAOYSA-N,2,1,0.54,77,611,469.44,3.653,6,0.388,0.62,1.0,0.8364231375505449,0.6434017545062024,0.4524107326434103,0.38698512781851824,0.579805188129669
EOS-2-28149,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)cc1,YXEWFYIKKGOKHN-UHFFFAOYSA-N,2,1,0.512,67,755,469.44,3.355,6,0.361,0.66,1.0,0.7803868823247208,0.5710712082790761,0.4732968953464464,0.4218353779727229,0.5616475909807416
EOS-2-28150,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nncn6C)cc5F)n34)cc2)o1,HXWQFIAGNMEXBK-UHFFFAOYSA-N,2,1,0.456,67,722,469.44,3.877,6,0.37,0.74,1.0,0.551966965937907,0.5621616064697417,0.35675245014049756,0.3105167569049414,0.4453494448632719
EOS-2-28151,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(F)cc5)o4)n23)cc1,YJJIZQCKDQRSHE-UHFFFAOYSA-N,2,1,0.512,67,937,469.44,3.355,6,0.361,0.72,1.0,0.6604071002672881,0.6434103214310192,0.26805907751353575,0.2857583441847714,0.4644087108491536
EOS-2-28152,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)ccc2F)cn1,SKNOZCFDIMNMRQ-UHFFFAOYSA-N,2,1,0.479,81,218,469.44,3.355,6,0.361,0.63,0.974,0.43800116510177506,0.48836611609896513,0.4415650058255089,0.3836354602152012,0.4378919368103626
EOS-2-28153,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6ncon6)n5)n34)ccc2F)cn1,GKFKMBADXNMDTR-UHFFFAOYSA-N,2,1,0.489,6,247,469.44,3.355,6,0.361,0.62,1.0,0.4832345281337811,0.507067712973751,0.41921389897882255,0.37436604756356656,0.4459705469124803
EOS-2-28154,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5ncon5)n4)n23)ccc1F,FAKHERHOHOBVEM-UHFFFAOYSA-N,2,1,0.479,6,414,469.44,3.355,6,0.361,0.62,1.0,0.5519755328627236,0.49309505859776576,0.39793365773421974,0.35463641971078064,0.4494101672263724
EOS-2-28155,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccon5)n4)n23)cn1,AMZLHYYRYFTPOO-UHFFFAOYSA-N,2,1,0.473,6,843,469.44,3.355,6,0.361,0.66,0.999,0.5082071139743678,0.47963641971078064,0.2642467959701186,0.23247207182509766,0.37114060037009117
EOS-2-28156,Cn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(-c4ncco4)cc3)n12,MQPYCSLYNIIOMP-UHFFFAOYSA-N,2,1,0.456,40,120,469.44,3.355,6,0.361,0.7,1.0,0.6363083407580015,0.5432972380234391,0.14854190939620313,0.1645192241792886,0.37316667808923304
EOS-2-28157,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6nc[nH]n6)c5)n34)cc2F)o1,SDAJXZVKQBDAQL-UHFFFAOYSA-N,2,1,0.458,97,425,469.44,3.653,6,0.388,0.59,1.0,0.7118686176410116,0.6386899458570352,0.4663405523953122,0.38364402714001783,0.5501357857583442
EOS-2-28158,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cc(F)c(-c6nnnn6C)cn5)n34)cc2)cn1,HZXBJZJCHOQPOD-UHFFFAOYSA-N,2,1,0.449,56,789,469.444,2.709,6,0.374,0.66,1.0,0.4472020423548763,0.5666763758481256,0.2394626824754986,0.22967925433486397,0.3707550887533411
EOS-2-28159,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5nnn(-c6ccc(F)cc6)n5)n34)cc2)n1,QEIQWAGTXQQBPX-UHFFFAOYSA-N,2,1,0.473,67,288,469.444,2.579,6,0.39,0.56,1.0,0.3819477760263176,0.440065793982592,0.12743300664793367,0.1514803646083202,0.27523173531629086
EOS-2-28160,Cn1nc(-c2nnnn2C)cc1Oc1cncc2nnc(-c3ccc(-c4cccnc4)cc3F)n12,IFKKMNAIIXEVKQ-UHFFFAOYSA-N,2,1,0.367,67,622,469.444,2.709,6,0.374,0.66,1.0,0.4126087999451717,0.5109999314646014,0.14259646357343567,0.17814063463779042,0.3110864574052498
EOS-2-28161,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cncn5)cn4)n23)c(F)c1,YNSSSSYBTJTSKF-UHFFFAOYSA-N,2,1,0.495,71,765,469.444,2.281,6,0.361,0.61,1.0,0.3565297100952642,0.4400743609074087,0.27580357754780344,0.24117606743883216,0.3283959289973271
EOS-2-28162,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5nccn5)nc4)n23)c(F)c1,RWXANOJQZIJXCW-UHFFFAOYSA-N,2,1,0.467,71,765,469.444,2.281,6,0.361,0.66,1.0,0.42190391337125627,0.4083510383112878,0.20757658830786102,0.19199335206634227,0.30745622301418685
EOS-2-28163,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6n[nH]c(=O)n6C)cc5F)n34)cc2)n1,QJEYABSHQPYRKE-UHFFFAOYSA-N,2,1,0.313,25,508,469.444,1.877,6,0.413,0.62,1.0,0.33811938866424507,0.35610993077924746,0.13331848399698445,0.16996778836268933,0.24937889795079157
EOS-2-28164,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnn(-c5ccc(F)cc5)n4)n23)cc1,QSBJIXLZPLCYNJ-UHFFFAOYSA-N,2,1,0.489,67,288,469.444,2.281,6,0.361,0.66,1.0,0.4171064354739223,0.41789459255705574,0.1164587759577822,0.14880748406551983,0.27506682201357
EOS-2-28165,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)c(F)c2)nn1,TVHBMZXCQUWWFL-UHFFFAOYSA-N,2,1,0.402,6,843,469.444,2.485,6,0.39,0.61,0.99,0.397488177643753,0.4358937015968748,0.24288945240216572,0.21785689808786238,0.32353205743266394
EOS-2-28166,Cn1nc(-c2ccc(F)cn2)cc1Oc1cncc2nnc(-c3ccc(-c4nnnn4C)cc3)n12,XUKWLTDIULABEF-UHFFFAOYSA-N,2,1,0.433,67,789,469.444,2.709,6,0.374,0.67,1.0,0.44721060927969297,0.5341734630936879,0.1578455897471044,0.15669762182167088,0.32398182098553907
EOS-2-28167,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nc[nH]n5)n4)n23)cc1F,NFEAQKNBKNYSBI-UHFFFAOYSA-N,2,1,0.474,4,415,469.444,2.485,6,0.39,0.66,1.0,0.5654684394489754,0.5621701733945583,0.19346686313480913,0.18633061476252485,0.3768590226852169
EOS-2-28168,Cn1nc(-c2nnnn2C)cc1Oc1cncc2nnc(-c3ccc(-c4ccnc(F)c4)cc3)n12,QTFNAHBQMOINTB-UHFFFAOYSA-N,2,1,0.4,67,789,469.444,2.709,6,0.35,0.67,1.0,0.4634877664313618,0.586937153039545,0.1546244260160373,0.17814920156260708,0.3457996367623878
EOS-2-28169,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)nn4)n23)cc1F,MJDFWSSZJQGGBF-UHFFFAOYSA-N,2,1,0.474,71,415,469.444,2.281,6,0.361,0.68,0.995,0.28399355767253787,0.3511496813103968,0.2680676444383524,0.24987149612774998,0.28827059488725926
EOS-2-28170,Cn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)nc3)n12,MKWXGUOLKOXHSO-UHFFFAOYSA-N,2,1,0.376,6,843,469.444,2.485,6,0.39,0.6,0.948,0.4907220204235488,0.557561167843191,0.07870433829072716,0.09318244123089575,0.30504249194709065
EOS-2-28171,CCn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6noc(C)n6)c(F)c5)n34)n2)nn1,DABKIXOFQDMWSU-UHFFFAOYSA-N,2,1,0.287,50,261,469.444,3.024,6,0.37,0.59,0.997,0.12213008018641629,0.2763090261119868,0.05430573641285724,0.06410629840312522,0.1292127852785964
EOS-2-28172,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,TXOPDPXUDQCTFD-UHFFFAOYSA-N,2,1,0.427,56,425,469.444,2.485,6,0.39,0.67,1.0,0.49073058734836544,0.46648619011719555,0.15463299294085395,0.1368137893221849,0.31216588993215
EOS-2-28173,Cn1cnnc1-c1nc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)ncc1F,VTSDRNHLNAOUHP-UHFFFAOYSA-N,2,1,0.408,56,428,469.444,2.485,6,0.39,0.6,1.0,0.6818586800082242,0.5666849427729422,0.10792611884038106,0.1260965663765335,0.3706415769995202
EOS-2-28174,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cccc(-n5nccn5)n4)n23)ccc1F,PXSYUQZFQYRIKS-UHFFFAOYSA-N,2,1,0.464,71,79,469.444,2.281,6,0.361,0.6,0.999,0.3028236584195737,0.39897025563703653,0.19691933383592625,0.18923480227537523,0.27198701254197793
EOS-2-28175,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cn4)n23)ccc1F,DZXCBTNPWRJUSV-UHFFFAOYSA-N,2,1,0.489,71,547,469.444,2.281,6,0.361,0.65,0.985,0.28947638955520527,0.4266756904941402,0.31585395106572545,0.28879103556987185,0.33019926667123567
EOS-2-28176,Cc1cc(-c2ncc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)cc5F)n34)cn2)nn1C,HGJWAVMZMNWOHB-UHFFFAOYSA-N,2,1,0.259,99,286,469.448,1.682,6,0.374,0.59,1.0,0.15266260023302036,0.1910509903365088,0.027945308751970394,0.02607771914193681,0.09943415461585908
EOS-2-28177,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1cccs1,REPLGHUXSSFSPV-UHFFFAOYSA-N,2,1,0.691,1,996,469.448,5.234,5,0.325,0.8,1.0,0.9221266534164896,0.9678568980878623,0.9119748475087383,0.8848947981632513,0.9217132992940853
EOS-2-28178,N#Cc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)c1,FETYIDNZUWKONU-UHFFFAOYSA-N,2,1,0.764,79,640,469.451,5.51,5,0.312,0.85,1.0,0.9790367349736139,0.9519138510040436,0.9838770474950311,0.9757727366184634,0.9726500925227879
EOS-2-28179,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)n5)n34)c2)cs1,CCQHKOWBKYRRIO-UHFFFAOYSA-N,2,1,0.5,27,506,469.452,4.611,5,0.371,0.82,1.0,0.6110273456240148,0.6434188883558358,0.7470272770886163,0.5397419642245219,0.6353038688232472
EOS-2-28180,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)s1,CKSCWZMRZLCJSU-UHFFFAOYSA-N,2,1,0.506,27,483,469.452,4.669,5,0.357,0.73,1.0,0.754232060859434,0.8116904256048249,0.7607686244945514,0.6879154958536083,0.7536516517031046
EOS-2-28181,FC(F)(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ncn2)cn1,HOZOBAUXLMBVFR-UHFFFAOYSA-N,2,1,0.5,18,194,469.452,4.345,5,0.365,0.66,1.0,0.727460420807347,0.6681173326022891,0.8715218285244328,0.7346309368788979,0.7504326297032418
EOS-2-28182,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc6ccccn6n5)cn4)n23)cc1F,XBFMUNWEJHICET-UHFFFAOYSA-N,2,1,0.554,19,198,469.455,4.401,6,0.36,0.68,0.997,0.777696867932287,0.6827839078884244,0.7900332396682886,0.7963384963333562,0.761713127955589
EOS-2-28183,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnc6ccccn56)n34)c2)cc1F,ZNDSIRVRVFXKHL-UHFFFAOYSA-N,2,1,0.424,11,503,469.455,4.401,6,0.36,0.67,1.0,0.6333698855458845,0.5296072921664039,0.7517647865122336,0.7869748475087383,0.675429202933315
EOS-2-28184,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)o5)n34)c(F)c2)cc1F,YJQMBQIIYYPJHR-UHFFFAOYSA-N,2,1,0.31,3,314,469.455,5.1,6,0.357,0.73,0.998,0.22169488040572957,0.3800459187170173,0.8009732026591735,0.8070043177301076,0.552429579878007
EOS-2-28185,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cc4)n23)cc1F,SGANUXBAUASODX-UHFFFAOYSA-N,2,1,0.77,91,883,469.455,4.401,6,0.36,0.77,1.0,0.971840518127613,0.9094990062367213,0.7861181550270715,0.8006733602905901,0.867032759920499
EOS-2-28186,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc6ccccc6n5)n34)cc2)cn1,VWVBKOLJOXEOKW-UHFFFAOYSA-N,2,1,0.5,77,891,469.455,5.177,6,0.334,0.78,1.0,0.5082156808991845,0.5962751010897128,0.8600849838941813,0.8178157768487424,0.6955978856829552
EOS-2-28187,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cc(F)c(-c5nccn5C)cc4F)n23)c1,VTLGBWKLMLENRB-UHFFFAOYSA-N,2,1,0.341,8,314,469.459,3.933,6,0.389,0.67,1.0,0.17701836748680694,0.29709238571722296,0.6041052703721472,0.6092282914125146,0.42186107874717294
EOS-2-28188,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(-c5cnn(-c6c(F)ccnc6F)c5)n34)cc2)[nH]1,QCTDNRJPCOLGLO-UHFFFAOYSA-N,2,1,0.3,42,150,469.459,4.324,6,0.386,0.55,1.0,0.020500651086286067,0.17424268384620656,0.6041138372969639,0.5660509903365089,0.34122704064149134
EOS-2-28189,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)cc1,FWKYABVDKKULOY-UHFFFAOYSA-N,2,1,0.301,9,642,469.459,4.512,6,0.369,0.68,1.0,0.14998115276540333,0.21975875539716264,0.7582842162977178,0.704638133095744,0.4581655643890069
EOS-2-28190,Cn1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1C(F)F,KOCDUFJBIAJVSN-UHFFFAOYSA-N,2,1,0.32,9,537,469.459,4.582,6,0.397,0.56,1.0,0.10877424439723117,0.1784918785552738,0.5421664039476389,0.5528921938181071,0.34558118017956274
EOS-2-28191,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(-c6ccn(C)n6)cc5F)n34)nc2)n[nH]1,MIACQQHYEAHVIW-UHFFFAOYSA-N,2,1,0.267,96,287,469.459,4.231,6,0.415,0.61,0.962,0.11948290041806593,0.24559660064423275,0.7032502912754438,0.6646220272770886,0.43323795490370776
EOS-2-28192,COc1cc(-c2nnc3cncc(OCCc4ccccc4[N+](=O)[O-])n23)ccc1-c1cccnn1,BNZPCUHJWJIQPI-UHFFFAOYSA-N,2,1,0.559,72,925,469.461,3.787,5,0.246,0.68,1.0,0.7486121581796998,0.23505071619491466,0.34528133781097936,0.14155129874580222,0.36762387773284905
EOS-2-28193,COc1cc(-c2nnc3cncc(OCc4cncc(C#N)c4)n23)ccc1-c1c(C)oc(=O)n1C,QRSTZSSTHPNPHH-UHFFFAOYSA-N,2,1,0.467,89,458,469.461,2.913,5,0.368,0.51,1.0,0.41711500239873894,0.2302018367486807,0.3979422246590364,0.2622078678637516,0.3268667329175519
EOS-2-28194,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)cc2)cc1,XJYLTYHZNICNOV-UHFFFAOYSA-N,2,1,0.41,21,810,430.536,6.854,6,0.307,0.84,1.0,0.1998320882735933,0.20490370776506064,0.9062093071071208,0.9273953121787403,0.5595851038311288
EOS-2-28195,c1ccc(-c2ccc(-c3nnc4cncc(-c5cscc5-c5ccccc5)n34)cc2)cc1,NNLUMZRLSFSSHQ-UHFFFAOYSA-N,2,1,0.431,21,810,430.536,6.854,6,0.307,0.74,1.0,0.15805119594270442,0.17425125077102324,0.8742546775409499,0.9102443286957713,0.5292003632376122
EOS-2-28196,Fc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6csnn6)nc5)n34)cn2)cc1,HHAKARZPSPREPA-UHFFFAOYSA-N,2,1,0.411,6,870,469.465,4.093,6,0.368,0.67,1.0,0.4907391542731821,0.5817113289013776,0.4231718182441231,0.4404427386745254,0.484016260023302
EOS-2-28197,c1ccc2nnc(-c3ncc(-c4nnc5cncc(-c6ccc(-c7cnco7)cc6)n45)cn3)cc2c1,IBMUYNDFIHQHNO-UHFFFAOYSA-N,2,1,0.261,69,174,469.468,4.514,7,0.366,0.73,0.999,0.14998971969021999,0.13900692207525187,0.40133472688643684,0.45631725035981086,0.2866621547529299
EOS-2-28198,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n(C)n2)no1,SKGKVLTVBPVDNE-UHFFFAOYSA-N,2,1,0.426,56,415,469.469,2.258,6,0.357,0.64,1.0,0.29769207045438967,0.21480707285312864,0.02795387567678706,0.01540333082036872,0.13896408745116853
EOS-2-28199,Cn1nnnc1-c1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1C,RQDCKLNHYMVPQM-UHFFFAOYSA-N,2,1,0.474,71,447,469.469,1.992,6,0.341,0.67,1.0,0.4496778836268933,0.35115824823521347,0.04210643547392228,0.037043382907271605,0.21999648756082515
EOS-2-28200,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnn(C)c6)cn5)n34)n(C)n2)no1,MWKDFAKRPQCIGO-UHFFFAOYSA-N,2,1,0.364,92,549,469.469,2.258,6,0.357,0.64,1.0,0.17426838462065658,0.14631450894386952,0.04070145980398876,0.021845658282502914,0.09578250291275443
EOS-2-28201,c1ccn2c(-c3ccc(-c4nnc5cncc(-c6ccc(-c7cncnc7)nn6)n45)cc3)nnc2c1,KZQJZEWZZUVLMR-UHFFFAOYSA-N,2,1,0.342,38,465,469.472,3.415,7,0.381,0.68,1.0,0.1307998081008841,0.09262559111781235,0.27167431978616957,0.32894421218559383,0.20601098279761498
EOS-2-28202,c1ccn2cc(-c3ccc(-c4cncc5nnc(-c6cnc(-c7ccnnc7)nc6)n45)nc3)nc2c1,YQSHQNWYUTVLMI-UHFFFAOYSA-N,2,1,0.247,94,989,469.472,3.415,7,0.381,0.68,1.0,0.15805976286752108,0.12508566924816666,0.2571448152971009,0.29164382153382223,0.2079835172366527
EOS-2-28203,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nnn(C)n5)cc4)n23)n(C)n1,WOBMHHDTOVNVPA-UHFFFAOYSA-N,2,1,0.358,67,789,469.473,1.786,6,0.354,0.56,1.0,0.2651720238503187,0.21481563977794532,0.011094167637584813,0.005508532657117401,0.12414759098074156
EOS-2-28204,CCn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)n(C)n1,FZCGWMLWNGVLPP-UHFFFAOYSA-N,2,1,0.392,36,734,469.473,1.562,6,0.364,0.62,1.0,0.28670927283942155,0.23505928311973134,0.018119045987252416,0.013321568089918443,0.13830229250908097
EOS-2-28205,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2F)nc1,GURYDGBRBAPDEY-UHFFFAOYSA-N,2,1,0.351,32,20,469.48,5.317,6,0.348,0.73,1.0,0.2705263518607361,0.43590226852169145,0.827650606538277,0.8417688986361456,0.5939620313892126
EOS-2-28206,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)c(F)c1,KLRDEGXZDLQBMN-UHFFFAOYSA-N,2,1,0.305,64,449,469.48,5.317,6,0.348,0.75,0.998,0.2811322047837708,0.3844664519224179,0.7290538688232472,0.8027893907203071,0.5493604790624357
EOS-2-28207,Fc1ccc(-c2nnc3cncc(Oc4cccc(-c5cncc(C6CCOCC6)n5)n4)n23)cc1,QQDBELYQUDYYMH-UHFFFAOYSA-N,2,1,0.418,52,310,469.48,4.469,6,0.372,0.67,1.0,0.5209204304023027,0.4931036255225824,0.19005722705777534,0.31668494277294224,0.3801915564389007
EOS-2-28208,Fc1cc(F)cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)s2)c1,HFTYTCJQALTCOV-UHFFFAOYSA-N,2,1,0.312,30,737,469.48,5.317,6,0.348,0.79,0.995,0.12213864711123296,0.30190699746419025,0.6399664176547186,0.7604944829004181,0.45612663628264
EOS-2-28209,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5F)n34)cc2)c1,UHUMNRJBKBGPSR-UHFFFAOYSA-N,2,1,0.346,69,152,469.48,5.317,6,0.348,0.75,1.0,0.18303234870810775,0.3362946336782948,0.8630919745048318,0.8875762456308683,0.5674988006305257
EOS-2-28210,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncs5)nc4F)n23)cc1,XCYXLJJLGUBOSD-UHFFFAOYSA-N,2,1,0.354,32,20,469.48,5.317,6,0.325,0.64,0.998,0.2754609005551367,0.48377424439723116,0.7470358440134329,0.7916695223082723,0.5744851278185182
EOS-2-28211,Fc1cc(-c2cscn2)ccc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3F)n12,UFYOMIVGHAESTD-UHFFFAOYSA-N,2,1,0.329,69,192,469.48,5.317,6,0.348,0.75,1.0,0.27840792269207043,0.47079535329997946,0.8276591734630937,0.839798505928312,0.6041652388458638
EOS-2-28212,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncs6)cc5)n34)cc2F)ccn1,NLYNKDOEKOBQDY-UHFFFAOYSA-N,2,1,0.346,69,38,469.48,5.317,6,0.325,0.7,1.0,0.25439483243095057,0.45763655678157766,0.8673583030635323,0.8791977931601672,0.6146468713590569
EOS-2-28213,Fc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cc3F)n12,OYNJEJGEBPXIDN-UHFFFAOYSA-N,2,1,0.351,3,923,469.48,5.317,6,0.348,0.69,1.0,0.24363477486121582,0.44008292783222536,0.8644712494003153,0.8834041532451511,0.6078982763347269
EOS-2-28214,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)s2)c(F)cn1,BJFYRMALTHHKCQ-UHFFFAOYSA-N,2,1,0.327,32,392,469.48,5.317,6,0.325,0.6,1.0,0.24654752929888288,0.4622626961825783,0.8111250085669248,0.819811870331026,0.584936776094853
EOS-2-28215,Fc1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)c2)cnc1F,LFRLRAOEKSFLMB-UHFFFAOYSA-N,2,1,0.321,42,723,469.48,5.317,6,0.325,0.74,0.999,0.2950877253101227,0.4312075937221575,0.8644798163251319,0.8658847919950654,0.6141649818381194
EOS-2-28216,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccc(F)cn6)s5)n34)cc2)nc1,SNUAIZGVZTUPGC-UHFFFAOYSA-N,2,1,0.356,32,479,469.48,5.317,6,0.348,0.63,1.0,0.2412446028373655,0.440091494757042,0.7107549174148448,0.7658573778356521,0.5394870982112261
EOS-2-28217,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)c(F)c1-c1cscn1,GUSLNPNLDKTOOO-UHFFFAOYSA-N,2,1,0.329,69,50,469.48,5.317,6,0.348,0.63,1.0,0.2754694674799534,0.4488040572955932,0.8411349461997122,0.8541652388458639,0.6048934274552806
EOS-2-28218,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)s4)n23)c(F)cc1-c1cncnc1,ISXCFCXYQQKGJW-UHFFFAOYSA-N,2,1,0.282,94,287,469.48,5.317,6,0.348,0.68,0.999,0.25693064217668427,0.36550784730313207,0.8616612980604482,0.87497429922555,0.5897685216914537
EOS-2-28219,N#Cc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cc1,UZMDOGFEAKJSEH-UHFFFAOYSA-N,2,1,0.32,69,737,469.483,5.593,6,0.312,0.74,1.0,0.32304160098690976,0.4576451237063944,0.9234459598382565,0.9294856418340073,0.658404581591392
EOS-2-28220,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2)s1,WEARABNEFBPLTO-UHFFFAOYSA-N,2,1,0.517,81,117,469.49,3.642,6,0.356,0.58,1.0,0.3797118086491673,0.3704509629223494,0.14547495031183608,0.11483106024261532,0.25261719553149203
EOS-2-28221,Oc1c[nH]nc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)nn4)n23)cc1,HAEXTSQCDVCLIQ-UHFFFAOYSA-N,2,1,0.4,56,197,469.49,3.38,6,0.376,0.5,1.0,0.4447176341580426,0.4266842574189569,0.19692790076074293,0.1863391816873415,0.31366724350627095
EOS-2-28222,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cn5)n34)cc2)o1,WIJJXWBGNQMOSS-UHFFFAOYSA-N,2,1,0.517,81,117,469.49,3.642,6,0.356,0.6,1.0,0.2840021245973545,0.3222705777534096,0.18351209649784114,0.14383010074703584,0.2334037248989103
EOS-2-28223,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)cn5)n34)cc2)s1,AQOQVHCANPMFLX-UHFFFAOYSA-N,2,1,0.517,40,117,469.49,3.642,6,0.356,0.63,1.0,0.4380097320265917,0.38005448564183403,0.1333270509218011,0.1054931121924474,0.26422109519566855
EOS-2-28224,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cccs6)n5)n34)cn2)no1,FNHWPYHXXIXWHG-UHFFFAOYSA-N,2,1,0.489,80,34,469.49,3.642,6,0.356,0.7,1.0,0.35425947501884725,0.43121616064697416,0.06197313412377493,0.04854019601123981,0.22399724145020905
EOS-2-28225,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nn2)no1,ARMLRHNUCXZAGN-UHFFFAOYSA-N,2,1,0.466,56,8,469.49,3.642,6,0.356,0.62,1.0,0.4059522993626208,0.40835960523610443,0.061981701048591596,0.08045199095332739,0.23918639915016104
EOS-2-28226,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cccnc6)n5)n34)s2)no1,CBVQUYQGLLPSBG-UHFFFAOYSA-N,2,1,0.408,80,34,469.49,3.642,6,0.356,0.7,1.0,0.24364334178603247,0.21482420670276198,0.0579638133095744,0.04715235419093962,0.14089592899732714
EOS-2-28227,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccnn6)s5)n34)cc2)o1,WZPPIKIXUIWBJM-UHFFFAOYSA-N,2,1,0.467,81,117,469.49,3.642,6,0.356,0.63,1.0,0.3995699403742033,0.4312247275717908,0.0809317387430608,0.07695668562812692,0.24717077307929547
EOS-2-28228,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cnccn6)no5)n34)nc2)cs1,WRBVIFLZPOBVPO-UHFFFAOYSA-N,2,1,0.451,6,277,469.49,3.642,6,0.356,0.74,0.997,0.37743300664793367,0.3070814200534576,0.13333561784661777,0.10132101980673018,0.2297927660886848
EOS-2-28229,COc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4nc(C)no4)nc3)n12,SGNRJJMDWJVGKJ-UHFFFAOYSA-N,2,1,0.308,70,727,469.49,3.739,6,0.368,0.7,0.999,0.2754780344047701,0.15023816050990335,0.17044753615242272,0.1302172572133507,0.1815952470701117
EOS-2-28230,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nnco6)n5)n34)cc2)cs1,KKQMBRRZUYUTOO-UHFFFAOYSA-N,2,1,0.456,81,117,469.49,3.642,6,0.356,0.64,1.0,0.40596086628743744,0.32681961483106026,0.13648824617915153,0.11248372284284833,0.2454381125351244
EOS-2-28231,c1csc(-c2cncc(CCOc3cncc4nnc(-c5ccc(-c6cocn6)nc5)n34)n2)n1,DHLOFORRIZVOSB-UHFFFAOYSA-N,2,1,0.477,6,297,469.49,3.376,6,0.343,0.56,1.0,0.3887841820300185,0.3989788225618532,0.08094030566787745,0.07887567678706052,0.23689474676170244
EOS-2-28232,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)nn5)n34)cn2)o1,LRKWURAKJCTLCQ-UHFFFAOYSA-N,2,1,0.446,6,297,469.49,3.642,6,0.356,0.67,1.0,0.3819563429511343,0.3655164142279487,0.1396922760605853,0.10351415255979714,0.24766979644986636
EOS-2-28233,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncs6)cn5)n34)cc2)o1,GYEZUQKDSDJDHI-UHFFFAOYSA-N,2,1,0.438,40,518,469.49,3.642,6,0.356,0.72,1.0,0.47358817079021315,0.42669282434377354,0.13970084298540197,0.1035227194846138,0.2858761394010006
EOS-2-28234,Cc1nnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)n2)o1,CIDWFTSBZNYJML-UHFFFAOYSA-N,2,1,0.418,6,826,469.49,3.642,6,0.356,0.69,1.0,0.3230501679117264,0.3019155643890069,0.05614762524844082,0.05241244602837365,0.18338145089438698
EOS-2-28235,Cc1csc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnn6)o5)n34)cc2)n1,BKLLWUSQWAFBIK-UHFFFAOYSA-N,2,1,0.468,40,117,469.49,3.642,6,0.356,0.68,1.0,0.39749674456856965,0.3655249811527654,0.13970940991021863,0.10995648002193133,0.25317190391337124
EOS-2-28236,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cc2)s1,IZWFLPWVFVMTDE-UHFFFAOYSA-N,2,1,0.578,40,2,469.49,3.642,6,0.356,0.61,1.0,0.5264375299842369,0.3607532040298814,0.13334418477143445,0.10766054417106435,0.2820488657391543
EOS-2-28237,COc1nnc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnn(C)n6)c5)n34)cc2)s1,MZEATXCSFIOOMU-UHFFFAOYSA-N,2,1,0.322,98,866,469.494,2.571,6,0.371,0.63,1.0,0.23572750325543143,0.1656928928791721,0.04211500239873895,0.03282845589747104,0.11909096360770338
EOS-2-28238,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)nn4)n23)cc1,WZIUWZFMKZPXJL-UHFFFAOYSA-N,2,1,0.444,56,614,469.494,2.474,6,0.358,0.68,1.0,0.4354910561304914,0.312332944966075,0.04212356932355562,0.04987663628263998,0.2099560516756905
EOS-2-28239,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)nn5)n34)cc2)n1,XJADFHHTZUQBMQ-UHFFFAOYSA-N,2,1,0.5,71,415,469.494,2.474,6,0.358,0.62,1.0,0.3589541498183812,0.25057398396271674,0.056156192173257485,0.04988520320745665,0.178892382290453
EOS-2-28240,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5nncs5)n4)n23)cc1,KOVVYHXGFJGINN-UHFFFAOYSA-N,2,1,0.417,71,614,469.494,2.474,6,0.358,0.57,1.0,0.3001936125008567,0.209846823384278,0.07010314577479268,0.06747309985607566,0.16190417037900076
EOS-2-28241,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6nccs6)n5)n34)cn2)cn1,TWUANPNXDZLFCU-UHFFFAOYSA-N,2,1,0.402,6,816,469.494,2.474,6,0.358,0.69,1.0,0.2569392091015009,0.2867521074635049,0.045301898430539375,0.036006785004454804,0.15624999999999997
EOS-2-28242,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)n5)n34)ccn2)s1,GIHALJXBVVGXPW-UHFFFAOYSA-N,2,1,0.463,6,597,469.494,2.772,6,0.386,0.68,0.997,0.3357806181892948,0.3222791446782263,0.06587108491535879,0.05242101295319032,0.19408796518401755
EOS-2-28243,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)cc1,NFIFJXLGDXSDEL-UHFFFAOYSA-N,2,1,0.472,71,415,469.494,2.474,6,0.358,0.63,1.0,0.2730193269823864,0.20985539030909464,0.06785004454800905,0.06748166678089233,0.15455160715509558
EOS-2-28244,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)ns5)n34)cc2)n1,UAZIOWRJTMGJKN-UHFFFAOYSA-N,2,1,0.478,56,415,469.494,2.474,6,0.358,0.67,1.0,0.32305873483654307,0.2971009526420396,0.026763073127270234,0.026086286066753478,0.16825226166815158
EOS-2-28245,Cn1nc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4nncs4)cc3)n12,WCWFIMVRQGPGMA-UHFFFAOYSA-N,2,1,0.424,71,117,469.494,2.474,6,0.358,0.68,0.981,0.39957850729901995,0.3411863477486122,0.02158865053800288,0.02185422520731958,0.19605193269823865
EOS-2-28246,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5csc(C)n5)n34)ccn2)c(C)n1,ROHMMVGZWXHIGZ-UHFFFAOYSA-N,2,1,0.488,7,567,430.497,3.604,5,0.417,0.71,1.0,0.29509629223493933,0.2456051675690494,0.09756870673702968,0.04989377013227332,0.17204098416832295
EOS-2-28247,Cc1cc(C)nc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccn2)n1,YIBZTNFUKSTZPO-UHFFFAOYSA-N,2,1,0.519,7,464,430.497,3.604,5,0.417,0.67,1.0,0.2840106915221712,0.2505825508875334,0.05431430333767391,0.028013844150503734,0.1542303474744706
EOS-2-28248,CCc1cnc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccn2)cn1,DJOHTSLXPGCJAK-UHFFFAOYSA-N,2,1,0.512,7,99,430.497,3.55,5,0.403,0.75,1.0,0.2677249674456857,0.27631759303680353,0.06587965184017545,0.039484956480021934,0.16235179220067164
EOS-2-28249,c1cc(CCOc2cncc3nnc(-c4ccc(-c5nnc6n5CCC6)nc4)n23)cs1,CPCJPSMGNPKJNI-UHFFFAOYSA-N,2,1,0.456,65,986,430.497,3.074,6,0.408,0.65,1.0,0.2161520800493455,0.1696850798437393,0.0025786443698170105,0.011436844630251524,0.09996316222328833
EOS-2-28250,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)cc1F,MYJZFCYKKNACQN-UHFFFAOYSA-N,2,1,0.356,38,7,469.505,5.12,6,0.377,0.7,1.0,0.38196490987595094,0.47506168185868003,0.7368326365567816,0.6762559111781234,0.567528784867384
EOS-2-28251,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc(C)c(F)s6)cc5)n34)nc2)o1,FKCLJTFNVZSKDW-UHFFFAOYSA-N,2,1,0.316,38,532,469.505,5.388,6,0.342,0.65,1.0,0.3381279555890617,0.4359108354465081,0.4592300047974779,0.3836525940648345,0.40423034747447056
EOS-2-28252,COc1cc(-c2ccsc2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3F)n12,SSHAWQDNOQRVPN-UHFFFAOYSA-N,2,1,0.322,41,7,469.505,5.12,6,0.377,0.68,1.0,0.4380182989514084,0.4359194023713248,0.7607771914193681,0.7158351038311288,0.5876374991433075
EOS-2-28253,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)ncc1-c1ccsc1,OGKQGXKWPMZVAQ-UHFFFAOYSA-N,2,1,0.467,6,414,469.505,4.819,6,0.348,0.61,0.999,0.41490473579603865,0.3655335480775821,0.6680316633541225,0.6503752313069701,0.5247112946336783
EOS-2-28254,COCc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(OC)c5)n34)c2)cn1,JEVNEVVQFPJGIM-UHFFFAOYSA-N,2,1,0.547,15,4,469.505,3.42,5,0.321,0.66,1.0,0.4266499897196902,0.16570145980398876,0.3567610170653142,0.2033188266739771,0.2881078233157426
EOS-2-28255,COc1ccc(F)cc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5cccs5)nc4)n23)c1,YDUUHCKKPSNHQO-UHFFFAOYSA-N,2,1,0.327,32,191,469.505,4.915,6,0.357,0.7,0.999,0.23005619902679733,0.37535124391748337,0.6543588513467206,0.6061698992529642,0.46648404838599133
EOS-2-28256,Fc1cnc(-c2ccsc2)cc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,HQFQKIIJIFGNAL-UHFFFAOYSA-N,2,1,0.489,40,763,469.505,5.023,6,0.368,0.62,1.0,0.8824360907408677,0.7257556027688301,0.7560396819957508,0.7185251182235625,0.7706891234322528
EOS-2-28257,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cncs4)n23)c(C)c1,UUULTHFLDWLRBY-UHFFFAOYSA-N,2,1,0.488,97,256,430.493,4.206,5,0.399,0.76,1.0,0.3995870742238366,0.322287711603043,0.41163217051607154,0.2709718319512028,0.3511196970735385
EOS-2-28258,COc1ccc(-c2nnc3cncc(OCc4sc(C)nc4-c4ccccc4)n23)cn1,HHDWGTWIPPKCSE-UHFFFAOYSA-N,2,1,0.477,1,700,430.493,4.206,5,0.399,0.73,1.0,0.44026283325337534,0.33142862038242754,0.20050887533411008,0.13916969364676857,0.27784250565417035
EOS-2-28259,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(CO)cc5)s4)n23)cn1,IFIVALZYBYADNN-UHFFFAOYSA-N,2,1,0.566,89,230,430.493,3.69,5,0.439,0.78,1.0,0.5416352546090055,0.44010006168185867,0.44157357275032555,0.3418717017339456,0.44129514769378386
EOS-2-28260,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ccccn1,WLMFXLRBTAJVFB-UHFFFAOYSA-N,2,1,0.563,1,61,430.493,4.206,5,0.399,0.8,1.0,0.3565382770200809,0.31234151189089165,0.2938626550613392,0.19457199643615927,0.28932861010211774
EOS-2-28261,COc1ccccc1COc1cncc2nnc(-c3cc(-c4cnc(C)s4)ccn3)n12,LVLNTJHJJQOXEE-UHFFFAOYSA-N,2,1,0.409,97,160,430.493,4.206,5,0.399,0.8,1.0,0.32569734768007674,0.14632307586868618,0.404941402234254,0.2622164347885683,0.2847945651428963
EOS-2-28262,COc1nc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1nccs1,XNHWPGZMGRXMKV-UHFFFAOYSA-N,2,1,0.577,49,703,430.493,3.94,5,0.386,0.76,1.0,0.46825954355424576,0.26597731478308545,0.19006579398259202,0.14383866767185252,0.26703532999794394
EOS-2-28263,COc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1ccncn1,VVDMIQLDDJHDFR-UHFFFAOYSA-N,2,1,0.536,35,777,430.493,3.94,5,0.386,0.67,1.0,0.5910064423274621,0.3753598108423,0.47644095675416354,0.3451014323898293,0.4469771605784387
EOS-2-28264,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)s4)n23)c(=O)n(C)n1,RWEHGCIOOHWVGD-UHFFFAOYSA-N,2,1,0.402,44,54,430.493,3.501,5,0.424,0.68,1.0,0.2544033993557673,0.10887704749503119,0.1303971626345007,0.15148893153313686,0.161291635254609
EOS-2-28265,COc1cc(-c2ccncc2)c(-c2nnc3cncc(OCCc4ccsc4)n23)cn1,HFXOMCOIKHPVES-UHFFFAOYSA-N,2,1,0.545,35,657,430.493,3.94,5,0.386,0.67,1.0,0.44027140017819205,0.28131211020492086,0.4192224659036392,0.31354944829004183,0.3635888561441985
EOS-2-28266,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(O)cc5)n34)c2)s1,BKYSCIHTJVFWBG-UHFFFAOYSA-N,2,1,0.615,91,628,430.493,3.945,5,0.436,0.77,1.0,0.6305685011308341,0.5386625316976218,0.30485401960112396,0.262225001713385,0.4340775135357412
EOS-2-28267,OCc1ccc(-c2ccncc2-c2nnc3cncc(OCCc4ccsc4)n23)cn1,NCDYIWMMYNZOPU-UHFFFAOYSA-N,2,1,0.506,35,234,430.493,3.424,5,0.422,0.63,1.0,0.4081282982660544,0.34642930573641284,0.45923857172229454,0.3963145089438695,0.4025276711671578
EOS-2-28268,OCc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cn1,HVVFWWAHKQOASZ-UHFFFAOYSA-N,2,1,0.524,15,426,430.493,3.424,5,0.422,0.7,1.0,0.46349633335617846,0.4401086286066753,0.39795079158385305,0.34188026865876225,0.4108590055513673
EOS-2-28269,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cncs1,JWEGUOIHAOCYDA-UHFFFAOYSA-N,2,1,0.613,35,103,430.493,3.94,5,0.386,0.78,1.0,0.4981923788636831,0.39898738948666984,0.5007967240079501,0.36472825714481527,0.4406761873757795
EOS-2-28270,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cn(C)nc5-c5ccc(F)cc5)n34)s2)nn1,XHZLPAAZWCMYNG-UHFFFAOYSA-N,2,1,0.346,76,653,469.509,4.22,6,0.381,0.7,1.0,0.09394489753957919,0.25562846960455077,0.26425536289493523,0.3195891302857926,0.23335446508121446
EOS-2-28271,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(C)c(F)c6)n5)n34)s2)n1,XLYFARRHSADADH-UHFFFAOYSA-N,2,1,0.263,76,871,469.509,4.313,6,0.379,0.6,0.664,0.0052686587622507025,0.05352614625454047,0.2868377767116716,0.3008532657117401,0.16162146186005072
EOS-2-28272,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnn(C)n6)cc5F)n34)c2)s1,ALKDXPYRPTVIGF-UHFFFAOYSA-N,2,1,0.333,3,598,469.509,4.22,6,0.381,0.65,1.0,0.1830409156329244,0.3173959975327256,0.33446987869234457,0.3516208621753136,0.29663191350832707
EOS-2-28273,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)s1,YIVFRUBBXFOHHH-UHFFFAOYSA-N,2,1,0.333,98,314,469.509,4.22,6,0.381,0.72,0.998,0.10387396340209719,0.2813206771297375,0.17400280995133988,0.24694160784044958,0.20153476458090605
EOS-2-28274,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)s2)n1C,PJKKMRWGCKXOSF-UHFFFAOYSA-N,2,1,0.329,98,865,469.509,4.22,6,0.381,0.7,1.0,0.21347919950654512,0.30192413131382356,0.15464155986567063,0.18924336920019189,0.2148220649715578
EOS-2-28275,Cc1nc(-c2ccc(-c3cncc4nnc(-c5sc(C)nc5-c5cccc(F)c5)n34)nc2)n[nH]1,HQBVYJHUHOQTON-UHFFFAOYSA-N,2,1,0.322,96,750,469.509,4.518,6,0.404,0.63,0.987,0.17427695154547324,0.34643787266122955,0.1704561030772394,0.2265266260023302,0.22942438832156808
EOS-2-28276,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccc(F)cc5)n34)nc2)s1,WOPIHTZWTNAZGE-UHFFFAOYSA-N,2,1,0.31,98,424,469.509,4.22,6,0.381,0.62,1.0,0.05199266671235693,0.2251473511068467,0.26084572681790147,0.3135580152148585,0.21288593996299088
EOS-2-28277,c1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6c[nH]nn6)s5)n34)nc2)s1,DKEVSQSYMKBNFI-UHFFFAOYSA-N,2,1,0.286,70,968,430.482,3.218,6,0.452,0.52,0.996,0.055196696593790694,0.09897368240696319,0.06785861147282571,0.09715749434582963,0.07979662120485231
EOS-2-28278,c1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cncs6)nc5)n34)s2)o1,JSSTZQHVTYTILF-UHFFFAOYSA-N,2,1,0.314,86,989,430.478,4.088,6,0.411,0.68,1.0,0.11697279144678226,0.13169933520663424,0.14260503049825235,0.16716640394763896,0.13961089027482695
EOS-2-28279,CCn1cc(CCOc2cncc3nnc(-c4cncc(-c5cnnn5C)c4)n23)c(C)n1,KQVRUZQQWBLQSD-UHFFFAOYSA-N,2,1,0.435,92,349,430.476,2.128,5,0.386,0.63,1.0,0.08006647933657735,0.049688163936673295,0.030129874580220685,0.017793502844219038,0.04441950517442259
EOS-2-28280,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cn1,GPVBDQZFYCNTAW-UHFFFAOYSA-N,2,1,0.379,93,594,430.475,4.316,6,0.414,0.79,1.0,0.11428277705434857,0.08961860050716194,0.5522925090809403,0.569323555616476,0.3313793605647317
EOS-2-28281,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccncc5)c4)n23)cc1,HAWONFDDNBUWTE-UHFFFAOYSA-N,2,1,0.287,42,150,430.475,4.409,6,0.412,0.75,1.0,0.007770200808717703,0.04245767939140566,0.5620416695223083,0.5261548214652868,0.2846060927969296
EOS-2-28282,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)nn1,KZGXFERFRYNKAA-UHFFFAOYSA-N,2,1,0.362,93,651,430.475,4.316,6,0.414,0.86,1.0,0.06415769995202522,0.06892947707490919,0.5150692207525187,0.5497138647111233,0.2994675656226441
EOS-2-28283,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cnccc4-c4ccccc4)n23)nc1,ZHUDNLPAWHNLNI-UHFFFAOYSA-N,2,1,0.32,42,945,430.475,4.316,6,0.414,0.71,0.998,0.20245356726749367,0.06115927626619149,0.44862415187444316,0.47500171338496333,0.2968096771982729
EOS-2-28284,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)n1,QKQJOBQZRRZKLL-UHFFFAOYSA-N,2,1,0.391,93,74,430.475,4.316,6,0.414,0.75,1.0,0.12214721403604963,0.1054674114179974,0.4628452470701117,0.5062881228154342,0.29918699883489824
EOS-2-28285,Cc1ccncc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,VTDITVLJRCBRTN-UHFFFAOYSA-N,2,1,0.276,30,195,430.475,4.409,6,0.412,0.71,0.99,0.004403399355767254,0.024844081968336647,0.535304297169488,0.5196867932287026,0.2710596429305736
EOS-2-28286,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)cn1,DCYYFRJMGBSSOL-UHFFFAOYSA-N,2,1,0.324,30,945,430.475,4.316,6,0.414,0.75,1.0,0.06985470495510931,0.04969673086148996,0.5488914399287231,0.5365550681927216,0.301249485984511
EOS-2-28287,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,CEOMRIAYUBXTDY-UHFFFAOYSA-N,2,1,0.368,93,774,430.475,4.316,6,0.414,0.82,1.0,0.10388253032691386,0.09263415804262902,0.29765780275512305,0.42479096703447333,0.22974136453978483
EOS-2-28288,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)nn1,WYPDXBKQLPUPII-UHFFFAOYSA-N,2,1,0.362,93,774,430.475,4.316,6,0.414,0.8,1.0,0.06067096155164142,0.0652542663285587,0.5688695086011926,0.602845932424097,0.3244101672263724
EOS-2-28289,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)cn1,SKGMYVMYEFRHGW-UHFFFAOYSA-N,2,1,0.315,38,714,430.475,4.316,6,0.414,0.78,1.0,0.05712425467754095,0.049705297786306626,0.5879823178671784,0.5529007607429237,0.3119281577684874
EOS-2-28290,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)cn1,JJNNKJQTNXPOIH-UHFFFAOYSA-N,2,1,0.299,42,57,430.475,4.316,6,0.414,0.8,1.0,0.062452881913508326,0.049713864711123296,0.6366938523747515,0.6061784661777808,0.338759766294291
EOS-2-28291,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)cn1,ZHUVTXWFSWAXHA-UHFFFAOYSA-N,2,1,0.306,38,818,430.475,4.316,6,0.414,0.82,1.0,0.062461448838324996,0.05734699472277431,0.6429819751901857,0.6154393119045988,0.344557432663971
EOS-2-28292,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)nn1,YNESBYCADXBQHY-UHFFFAOYSA-N,2,1,0.32,30,668,430.475,4.409,6,0.412,0.75,1.0,0.009629223493934616,0.03870536632170516,0.5081043108765677,0.49923754369131657,0.263919111095881
EOS-2-28293,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,ROHLTRBNPJFGDW-UHFFFAOYSA-N,2,1,0.338,9,220,430.475,4.316,6,0.414,0.77,1.0,0.11698135837159893,0.07619422931944349,0.46285381399492836,0.4992461106161332,0.288818878075526
EOS-2-28294,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)cc2)cn1,ZRBAHGHHHGGYMI-UHFFFAOYSA-N,2,1,0.289,9,98,430.475,4.614,6,0.438,0.73,1.0,0.13080837502570078,0.13901548900006855,0.6654358851346721,0.6328473031320677,0.3920267630731273
EOS-2-28295,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,FSCMYUKAIJVVJB-UHFFFAOYSA-N,2,1,0.354,9,867,430.475,4.316,6,0.414,0.69,1.0,0.1914793365773422,0.07620279624426016,0.5688780755260092,0.5365636351175382,0.34328096086628745
EOS-2-28296,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)nn1,QPEBDNYRJJSYFC-UHFFFAOYSA-N,2,1,0.316,69,764,430.475,4.316,6,0.414,0.76,1.0,0.047178054965389626,0.03270851895003769,0.5287077650606539,0.5434086080460558,0.2880007367555343
EOS-2-28297,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,WIGUBAPEWGIUEN-UHFFFAOYSA-N,2,1,0.324,9,220,430.475,4.316,6,0.414,0.77,1.0,0.0986824069631965,0.03871393324652183,0.48360290590089783,0.5062966897402509,0.2818239839627168
EOS-2-28298,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nn1,VMUVOFLJMMAPHC-UHFFFAOYSA-N,2,1,0.388,93,651,430.475,4.316,6,0.414,0.71,1.0,0.16072407648550477,0.08962716743197861,0.3979593585086697,0.45962408333904464,0.27698367144129943
EOS-2-28299,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cc1,VJSXGBXDSNSVKA-UHFFFAOYSA-N,2,1,0.338,38,983,430.475,4.316,6,0.414,0.7,1.0,0.13862141045850182,0.06526283325337537,0.4802875059968474,0.4563258172846275,0.28512439174833804
EOS-2-28300,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1-c1ccccc1,YLMCQUXGCIKTNG-UHFFFAOYSA-N,2,1,0.352,9,625,430.475,4.316,6,0.414,0.76,1.0,0.0520012336371736,0.046201425536289496,0.552301076005757,0.5787386059899938,0.3073105852923035
EOS-2-28301,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cc5)n34)cc2)cn1,ORYWIHZZPGBWFK-UHFFFAOYSA-N,2,1,0.298,69,98,430.475,4.614,6,0.438,0.73,1.0,0.0822339113151943,0.10547597834281407,0.695428688917826,0.667397710917689,0.3876340723733809
EOS-2-28302,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,XYQFZYGDBQODNB-UHFFFAOYSA-N,2,1,0.388,93,774,430.475,4.316,6,0.414,0.79,1.0,0.07186793228702625,0.08650023987389487,0.3120845041463916,0.3963230758686862,0.21669393804399972
EOS-2-28303,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)nc2)n1,WEXXKKITASVWSM-UHFFFAOYSA-N,2,1,0.284,38,532,430.475,4.614,6,0.438,0.76,0.999,0.07376122267150984,0.08650880679871154,0.5387996024946885,0.4963162223288328,0.2988464635734357
EOS-2-28304,Cc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nn1,HLOKBZUANRRWSY-UHFFFAOYSA-N,2,1,0.32,30,298,430.475,4.409,6,0.412,0.7,1.0,0.008961003358234527,0.0357669111095881,0.4116407374408882,0.46574086765814543,0.23052737989171407
EOS-2-28305,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)n[nH]1,YBSZUBLDBMJZLW-UHFFFAOYSA-N,2,1,0.308,38,818,430.475,4.614,6,0.438,0.71,0.999,0.12215578096086628,0.14633164279350283,0.6129292029333151,0.5941933383592626,0.3689024912617367
EOS-2-28306,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,RLAJXLRKIOLLTC-UHFFFAOYSA-N,2,1,0.329,38,983,430.475,4.316,6,0.414,0.73,1.0,0.14999828661503667,0.06893804399972586,0.46634911932012885,0.45331025974916045,0.28464892742101294
EOS-2-28307,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)cc1,FCMKPAJFNNPOOK-UHFFFAOYSA-N,2,1,0.391,93,810,430.475,4.316,6,0.414,0.83,1.0,0.16886265506133918,0.11801795627441573,0.4663576862449455,0.5593859228291412,0.3281560551024604
EOS-2-28308,Cc1cc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc(-c2ccccc2)n1,RIXMENORGXFXRN-UHFFFAOYSA-N,2,1,0.3,30,298,430.475,4.409,6,0.412,0.67,1.0,0.008969570283051197,0.01407545747378521,0.3195719964361593,0.3777157151668837,0.18008318483996985
EOS-2-28309,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)cn1,HNCWMEJGSCCXOG-UHFFFAOYSA-N,2,1,0.296,30,301,430.475,4.316,6,0.414,0.8,1.0,0.042945994105955725,0.01853025837845247,0.5421749708724556,0.5434171749708725,0.2867670995819341
EOS-2-28310,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)n[nH]1,RWUVQUOTUGGQFK-UHFFFAOYSA-N,2,1,0.342,93,220,430.475,4.614,6,0.438,0.78,1.0,0.10137242135563018,0.1285124391748338,0.47330546227126313,0.4779658693715304,0.29528904804331435
EOS-2-28311,Cn1cc(-c2nnc3cncc(-c4cccc(-c5cnccn5)c4)n23)c(-c2ccccc2)n1,TUDCTSRIKHIZKO-UHFFFAOYSA-N,2,1,0.348,30,220,430.475,4.316,6,0.414,0.71,1.0,0.048848605304639844,0.02029504489068604,0.430265231992324,0.47797443629634706,0.24434582962099924
EOS-2-28312,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,XTTMLUAYKQMSFM-UHFFFAOYSA-N,2,1,0.324,69,220,430.475,4.316,6,0.414,0.76,1.0,0.042954561030772394,0.03271708587485436,0.5186844630251525,0.5497224316359399,0.2860196353916798
EOS-2-28313,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,UCSLEHQLGKJHHI-UHFFFAOYSA-N,2,1,0.368,93,651,430.475,4.316,6,0.414,0.82,1.0,0.13862997738331848,0.08963573435679528,0.4415821396751422,0.49003666643821536,0.28997112946336784
EOS-2-28314,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccn6)[nH]5)n34)cc2)cc1,BXQVUJZLFOUKCK-UHFFFAOYSA-N,2,1,0.333,93,774,430.475,4.614,6,0.438,0.8,0.412,0.11125008566924817,0.15426461517373724,0.4873552189705983,0.5397505311493387,0.3231551127407306
EOS-2-28315,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1,WJQWMHUQOFCUMX-UHFFFAOYSA-N,2,1,0.343,9,867,430.475,4.316,6,0.414,0.73,1.0,0.1714927009800562,0.06116784319100815,0.5042406277842506,0.4689877321636625,0.30147222602974433
EOS-2-28316,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nc2)cn1,HRMRYKQRELEOMG-UHFFFAOYSA-N,2,1,0.318,30,371,430.475,4.316,6,0.414,0.74,1.0,0.08007504626139401,0.04620999246110616,0.48029607292166404,0.48432252758549793,0.2727259098074155
EOS-2-28317,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1,QMPLKWRERCNYTJ-UHFFFAOYSA-N,2,1,0.314,9,645,430.475,4.316,6,0.414,0.76,1.0,0.09395346446439586,0.04621855938592283,0.6765900212459736,0.644575423206086,0.3653343670755945
EOS-2-28318,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,SMCXEOBWAGKMGW-UHFFFAOYSA-N,2,1,0.357,93,774,430.475,4.316,6,0.414,0.76,1.0,0.1413114248509355,0.06894661092454253,0.5113940100061681,0.5660595572613255,0.32192790076074296
EOS-2-28319,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)n1,DIGFYQVXSLYJRJ-UHFFFAOYSA-N,2,1,0.324,30,945,430.475,4.316,6,0.414,0.72,1.0,0.0737697895963265,0.05735556164759098,0.4836114728257145,0.4779830032211637,0.2731799568226989
EOS-2-28320,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)cn1,DJEPNPUHNYXDPG-UHFFFAOYSA-N,2,1,0.379,93,774,430.475,4.316,6,0.414,0.83,1.0,0.10389109725173051,0.0689551778493592,0.5252552943595367,0.5464070317318895,0.311127150298129
EOS-2-28321,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c2)cn1,WYRMOFYJGUDCKH-UHFFFAOYSA-N,2,1,0.315,9,171,430.475,4.316,6,0.414,0.68,1.0,0.0917089301624289,0.05736412857240765,0.7057432663970941,0.6762644781029402,0.3827702008087177
EOS-2-28322,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)nn1,UYSDWUXQYSKNQA-UHFFFAOYSA-N,2,1,0.366,69,220,430.475,4.316,6,0.414,0.83,1.0,0.05877767116715784,0.0462271263107395,0.5217342882598862,0.5365722020423549,0.29082782194503465
EOS-2-28323,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)n1,QGIKWPFEZRFNJI-UHFFFAOYSA-N,2,1,0.385,93,810,430.475,4.316,6,0.414,0.79,1.0,0.16624117606743882,0.10888561441984786,0.4699472277431293,0.5365807689671716,0.3204136967993969
EOS-2-28324,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)c2)cn1,WDYMLDJGDIVDGW-UHFFFAOYSA-N,2,1,0.338,9,50,430.475,4.316,6,0.414,0.73,1.0,0.10634123774929752,0.049722431635939965,0.6543674182715372,0.6212819546295661,0.3579282605715852
EOS-2-28325,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)nc1,IUHRAQJRZIVZKB-UHFFFAOYSA-N,2,1,0.33,32,371,430.475,4.316,6,0.414,0.71,0.921,0.15806832979233773,0.05353471317935714,0.36037625933794804,0.38699369474333495,0.23974324926324447
EOS-2-28326,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nn1,LNSXZEKAOUFEIW-UHFFFAOYSA-N,2,1,0.373,93,651,430.475,4.316,6,0.414,0.81,1.0,0.057132821602357615,0.07965526694537729,0.4302737989171407,0.490045233363032,0.2642767802069769
EOS-2-28327,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,SCXRADWFAKKALB-UHFFFAOYSA-N,2,1,0.388,93,228,430.475,4.316,6,0.414,0.85,1.0,0.14420704543896923,0.09898224933177986,0.4486327187992598,0.5497309985607566,0.31038825303269135
EOS-2-28328,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)n1,YMUXPTAMVYXETI-UHFFFAOYSA-N,2,1,0.368,93,651,430.475,4.316,6,0.414,0.82,1.0,0.1468285244328696,0.09899081625659653,0.5150777876773354,0.5365893358919882,0.32437161606469744
EOS-2-28329,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cc2)n1,PBRFBZOEUCGDCT-UHFFFAOYSA-N,2,1,0.348,9,98,430.475,4.316,6,0.414,0.71,1.0,0.08008361318621068,0.06896374477417586,0.6071379617572477,0.5723990816256597,0.3321461003358235
EOS-2-28330,Cn1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cnn2)n1,TXHMBZPDNVWCPQ-UHFFFAOYSA-N,2,1,0.357,93,774,430.475,4.316,6,0.414,0.69,1.0,0.08660304297169488,0.08316770612021109,0.5388081694195052,0.5693321225412926,0.3194777602631759
EOS-2-28331,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)cn1,PPSVQSQKASTZEX-UHFFFAOYSA-N,2,1,0.301,42,57,430.475,4.316,6,0.414,0.82,1.0,0.07783051195942704,0.08317627304502775,0.6460746350490028,0.6061870331025975,0.3533171132890137
EOS-2-28332,Cn1cncc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,CVXFDDSCKIHTCC-UHFFFAOYSA-N,2,1,0.318,42,945,430.475,4.316,6,0.414,0.79,1.0,0.10634980467411417,0.046235693235556166,0.5755517099581934,0.5724076485504763,0.32513621410458504
EOS-2-28333,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)nc1,ICOJGEZPXKLUHH-UHFFFAOYSA-N,2,1,0.33,30,371,430.475,4.316,6,0.414,0.66,1.0,0.08914741964224522,0.05354328010417381,0.4267356589678569,0.44045130559934204,0.2524694160784045
EOS-2-28334,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)cn1,MCHCUSQNLCPLHQ-UHFFFAOYSA-N,2,1,0.316,30,371,430.475,4.316,6,0.414,0.68,0.824,0.12216434788568295,0.046244260160372835,0.3567695839901309,0.38366116098965114,0.22720983825645946
EOS-2-28335,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,FQXOSOOEWISGMO-UHFFFAOYSA-N,2,1,0.301,30,301,430.475,4.316,6,0.414,0.79,1.0,0.05200980056199027,0.02967582756493729,0.4904992803783154,0.4992546775409499,0.2678598965115482
EOS-2-28336,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cn1,YCEOLZBRTDZLLH-UHFFFAOYSA-N,2,1,0.317,30,668,430.475,4.409,6,0.412,0.71,1.0,0.008978137207867864,0.02968439448975396,0.5217428551847029,0.49632478925364953,0.26418254403399355
EOS-2-28337,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)cc1,YFQZFCFHLJQUQM-UHFFFAOYSA-N,2,1,0.368,93,651,430.475,4.316,6,0.414,0.77,1.0,0.12496573230073332,0.06897231169899253,0.4733140291960798,0.5094236172983346,0.29416892262353506
EOS-2-28338,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccccc6)c5)n34)cc2)n1,NRZBAKQVFMUDML-UHFFFAOYSA-N,2,1,0.368,93,810,430.475,4.316,6,0.414,0.75,1.0,0.14683709135768624,0.0989993831814132,0.45588033719416077,0.5299071345349873,0.30790598656706186
EOS-2-28339,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)n1,IYNAWGKFRVZTDL-UHFFFAOYSA-N,2,1,0.315,38,787,430.475,4.316,6,0.414,0.67,1.0,0.05201836748680694,0.053551847028990476,0.5217514221095195,0.49309505859776576,0.2801041738057707
EOS-2-28340,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc1,FEGOUEHGOUPLCP-UHFFFAOYSA-N,2,1,0.319,93,737,430.475,4.316,6,0.414,0.84,1.0,0.0587862380919745,0.03272565279967103,0.44864128572407647,0.4900538002878487,0.25755174422589266
EOS-2-28341,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,RMTIUSAQWOFCOV-UHFFFAOYSA-N,2,1,0.362,93,220,430.475,4.316,6,0.414,0.78,1.0,0.1194914673428826,0.0689808786238092,0.4764495236789802,0.5030583921595504,0.2919950654513056
EOS-2-28342,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)nn1,YNHDBLUENDRNFU-UHFFFAOYSA-N,2,1,0.323,30,220,430.475,4.316,6,0.414,0.78,1.0,0.039990405044205334,0.029692961414570625,0.49050784730313207,0.5261633883901035,0.27158865053800285
EOS-2-28343,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)n1,VWJUKHMLYVITOE-UHFFFAOYSA-N,2,1,0.288,30,301,430.475,4.316,6,0.414,0.77,1.0,0.041463916112672194,0.02252244534301967,0.47645809060379685,0.4843310945103146,0.2561938866424508
EOS-2-28344,Cn1cc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)c2)nn1,YYICIBQQCIIPRR-UHFFFAOYSA-N,2,1,0.33,30,220,430.475,4.316,6,0.414,0.74,1.0,0.028210883421287095,0.018538825303269137,0.4192310328284559,0.47501028030978,0.23524775546569804
EOS-2-28345,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)n[nH]1,SKXPFDROQFCZHD-UHFFFAOYSA-N,2,1,0.289,9,645,430.475,4.614,6,0.438,0.74,1.0,0.11950003426769927,0.1317079021314509,0.6819871838804743,0.6530395449249538,0.39655866630114456
EOS-2-28346,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)nc2)n1,OOJUTBJBAKUHTF-UHFFFAOYSA-N,2,1,0.3,30,179,430.475,4.316,6,0.414,0.8,1.0,0.024655609622369953,0.022531012267836336,0.48362003975053114,0.47799157014598037,0.2521995579466795
EOS-2-28347,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,ATSABQTWZOEWBW-UHFFFAOYSA-N,2,1,0.324,9,645,430.475,4.316,6,0.414,0.79,1.0,0.08915598656706189,0.06527140017819204,0.7187906928928792,0.682406963196491,0.388906260708656
EOS-2-28348,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,UVSSRRZCJQQSRG-UHFFFAOYSA-N,2,1,0.301,30,301,430.475,4.316,6,0.414,0.79,1.0,0.11429134397916524,0.0387225001713385,0.42318038516893974,0.44709067233225963,0.2558212254129258
EOS-2-28349,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6)nc5)n34)cc2)cn1,RSKKEASEBGRNRT-UHFFFAOYSA-N,2,1,0.388,9,553,430.475,4.316,6,0.414,0.81,1.0,0.08436707559454458,0.06898944554862586,0.5587776711671578,0.5334281406346378,0.3113905832362415
EOS-2-28350,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,ITALZIKRPXFADC-UHFFFAOYSA-N,2,1,0.391,93,810,430.475,4.316,6,0.414,0.83,1.0,0.16887122198615584,0.1180265231992324,0.46636625316976216,0.5593944897539579,0.32816462202727703
EOS-2-28351,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)n[nH]1,ZKHKFWAGAXTPEK-UHFFFAOYSA-N,2,1,0.293,69,57,430.475,4.614,6,0.438,0.73,1.0,0.11429991090398191,0.1463402097183195,0.6071465286820643,0.5754489068603934,0.3608088890411898
EOS-2-28352,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)n1,LVMSTYOFPFEQHL-UHFFFAOYSA-N,2,1,0.382,93,810,430.475,4.316,6,0.414,0.83,1.0,0.1169899252964156,0.1119868412034816,0.45241929956822696,0.5299157014598039,0.30282794188198203
EOS-2-28353,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cnn(CCO)c5)cc4)n23)cn1,BAYFOBJIVWECHF-UHFFFAOYSA-N,2,1,0.564,15,519,430.472,2.002,5,0.401,0.77,1.0,0.39750531149338636,0.29208073469947227,0.2111232951819615,0.1488160509903365,0.26238134809128916
EOS-2-28354,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)o1,RCWUTYVVJQUDRY-UHFFFAOYSA-N,2,1,0.391,21,810,430.471,5.484,6,0.368,0.87,1.0,0.2357360701802481,0.2197673223219793,0.6488931533136865,0.6674062778425056,0.44295070591460484
EOS-2-28355,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cn2)o1,ZMPXFXOPEWWDSN-UHFFFAOYSA-N,2,1,0.345,93,987,430.471,5.484,6,0.368,0.82,1.0,0.19410081557124254,0.15024672743472003,0.6709015831677061,0.6732660544171064,0.42212879514769375
EOS-2-28356,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)o1,GEBRDOZGGZGBRT-UHFFFAOYSA-N,2,1,0.368,93,987,430.471,5.484,6,0.368,0.82,1.0,0.21616064697416215,0.16969364676855597,0.6844801590021246,0.6732746213419231,0.43590226852169145
EOS-2-28357,Cc1cccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)cc1,LPSFFJWTFXKLHE-UHFFFAOYSA-N,2,1,0.329,69,898,430.471,5.484,6,0.368,0.74,1.0,0.18012816119525735,0.1542731820985539,0.692772942224659,0.6474710437941197,0.4186613323281475
EOS-2-28358,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cc5)n34)cc2)n1,JTCWWNKRYPOPKC-UHFFFAOYSA-N,2,1,0.337,69,898,430.471,5.484,6,0.368,0.78,1.0,0.10878281132204784,0.115019532588582,0.7290624357480638,0.6992581043108765,0.4130307209923926
EOS-2-28359,c1ccc(Oc2cccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)c2)cc1,VRFYGZFKMIKCKU-UHFFFAOYSA-N,2,1,0.344,17,960,430.471,5.641,6,0.383,0.81,1.0,0.27548660132958674,0.17850044548009047,0.8067044753615242,0.8070128846549243,0.5169261017065314
EOS-2-28360,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)no1,HYRFMYVOKGDUTH-UHFFFAOYSA-N,2,1,0.368,93,651,430.471,5.484,6,0.368,0.84,1.0,0.13863854430813516,0.1390240559248852,0.6738057706805565,0.6792886025632239,0.4076892433692002
EOS-2-28361,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)o1,GNUGLQHCONSDHF-UHFFFAOYSA-N,2,1,0.373,21,810,430.471,5.484,6,0.368,0.85,1.0,0.2190734014118292,0.19567712973750942,0.6334983894181344,0.6617178397642383,0.4274916900829278
EOS-2-28362,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)cn1,XISMLRYUUYTEOT-UHFFFAOYSA-N,2,1,0.341,69,958,430.471,5.484,6,0.368,0.78,1.0,0.1969878692344596,0.12139332465218285,0.8067130422863409,0.7682047152354191,0.4733247378521006
EOS-2-28363,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)o1,JIWDHUIJYJZIEM-UHFFFAOYSA-N,2,1,0.391,21,810,430.471,5.484,6,0.368,0.87,1.0,0.23574463710506477,0.21977588924679597,0.6489017202385032,0.6674148447673223,0.44295927283942155
EOS-2-28364,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cc2)n1,LKOZCCKDISRVAV-UHFFFAOYSA-N,2,1,0.333,69,898,430.471,5.484,6,0.368,0.74,1.0,0.14131999177575216,0.08964430128161195,0.7215406757590296,0.7020937564251936,0.4136496813103968
EOS-2-28365,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)cc1,RTERZCFIXBVLJL-UHFFFAOYSA-N,2,1,0.349,21,538,430.471,5.484,6,0.368,0.77,1.0,0.23278904804331438,0.2406620519498321,0.7900418065931053,0.772950791583853,0.5091109245425262
EOS-2-28366,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4)n23)c(-c2ccccc2)n1,OAZQCHAGGLVNPA-UHFFFAOYSA-N,2,1,0.341,69,695,430.471,5.484,6,0.368,0.7,1.0,0.13864711123295181,0.10548454526763074,0.627655746693167,0.6360427660886848,0.37695754232060863
EOS-2-28367,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cc2)o1,QBWCYJNHDYDPOI-UHFFFAOYSA-N,2,1,0.319,69,958,430.471,5.484,6,0.368,0.77,1.0,0.18577376464944143,0.15428174902337058,0.7629788910972517,0.7290110341991639,0.4580113597423069
EOS-2-28368,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cc2)cc1,UROPIWZMLSUDNY-UHFFFAOYSA-N,2,1,0.369,21,107,430.471,5.484,6,0.368,0.85,1.0,0.18867795216229183,0.22515591803166335,0.6101363854430814,0.6474796107189363,0.4178624665889932
EOS-2-28369,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1,LHCUTBHCBJNFGW-UHFFFAOYSA-N,2,1,0.322,69,30,430.471,5.484,6,0.368,0.85,1.0,0.15267116715783702,0.11803509012404907,0.7769429785484202,0.7476954972243164,0.44883618326365565
EOS-2-28370,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)o1,FDEJBVBGHDWPEW-UHFFFAOYSA-N,2,1,0.373,93,651,430.471,5.484,6,0.368,0.79,1.0,0.22170344733054623,0.1579483928449044,0.6927815091494757,0.6762730450277569,0.4371765985881708
EOS-2-28371,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)o1,MKEUAQNHSYAPHM-UHFFFAOYSA-N,2,1,0.322,69,898,430.471,5.484,6,0.368,0.76,1.0,0.18304948255774106,0.1502552943595367,0.7159379069289288,0.6762816119525735,0.43138107394969505
EOS-2-28372,COc1ccc2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2c1,IHYHPQLGHGVXLC-UHFFFAOYSA-N,2,1,0.357,69,484,430.471,5.077,6,0.388,0.84,1.0,0.2977006373792064,0.2505911178123501,0.7724539099444864,0.7346395038037146,0.5138462922349394
EOS-2-28373,Cn1nc(-c2ccnn2C)cc1COc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,MFUYKNKDESLOQE-UHFFFAOYSA-N,2,1,0.462,81,415,469.534,3.628,6,0.367,0.61,1.0,0.29770920430402303,0.2920893016242889,0.20051744225892673,0.15149749845795354,0.23545336166129807
EOS-2-28374,CCc1csc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)n2C)n1,XJOPDGXUNFNMOQ-UHFFFAOYSA-N,2,1,0.302,8,474,469.534,4.236,6,0.368,0.64,0.992,0.12217291481049962,0.16189774518538824,0.022685216914536357,0.02345624014803646,0.08255302926461516
EOS-2-28375,N#CCCn1nnc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)n1,GJEPJQWFCBVYDP-UHFFFAOYSA-N,2,1,0.422,36,447,430.457,2.394,5,0.381,0.6,1.0,0.3230673017613597,0.2813292440545542,0.018950037694469193,0.035055856349804675,0.16460060996504697
EOS-2-28376,c1ccc(-c2cccc(CCOc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)cc1,GGHFHZLVFYCERN-UHFFFAOYSA-N,2,1,0.676,21,47,469.548,6.142,6,0.281,0.8,1.0,0.9300938934959907,0.7787677335343705,0.8183297923377424,0.8137464875608251,0.8352344767322322
EOS-2-28377,Cc1cc(-c2ncccc2C)ccc1Oc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,GGQCUJARQYDMHY-UHFFFAOYSA-N,2,1,0.459,21,47,469.548,6.929,6,0.274,0.79,1.0,0.5851466657528613,0.39899595641148655,0.842711260365979,0.7939825920087725,0.6552091186347748
EOS-2-28378,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)nc5)n34)cc2)cc1,TWKCCQNTNAZQDC-UHFFFAOYSA-N,2,1,0.676,21,47,469.548,6.142,6,0.281,0.75,1.0,0.9065519840997875,0.7787763004591872,0.790050373517922,0.7939911589335892,0.8173424542526214
EOS-2-28379,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccn6)cc5)n34)cc2)cc1,VKYWGEOLLBECCL-UHFFFAOYSA-N,2,1,0.704,21,47,469.548,6.142,6,0.281,0.85,1.0,0.9209872524158728,0.8377938455212117,0.8276677403879104,0.8178243437735591,0.8510682955246385
EOS-2-28380,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)cc1,LYQINUCCKAYYIV-UHFFFAOYSA-N,2,1,0.694,21,47,469.548,6.142,6,0.281,0.85,1.0,0.9248852032074566,0.8272479610718936,0.827676307312727,0.8159653210883421,0.8489436981701048
EOS-2-28381,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cccnc6)cc5)n34)cc2)cc1,XQMBXSJQGBDVTN-UHFFFAOYSA-N,2,1,0.725,21,47,469.548,6.142,6,0.281,0.82,1.0,0.9221352203413062,0.8116989925296415,0.857000890960181,0.8507299019943801,0.8603912514563772
EOS-2-28382,O=[N+]([O-])c1cccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)c1,DLLPEDBONABCRV-UHFFFAOYSA-N,2,1,0.518,1,230,430.449,4.402,5,0.29,0.77,1.0,0.8108765677472415,0.3268281817558769,0.5042491947090673,0.2887996024946885,0.48268838667671854
EOS-2-28383,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccs5)cn4)n23)cc1,VDLMQGCYSTVVSN-UHFFFAOYSA-N,2,1,0.553,1,850,430.449,4.402,5,0.29,0.78,1.0,0.6450551709958193,0.31740456445754234,0.44159070659995886,0.22968782125968062,0.40843456582825033
EOS-2-28384,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cn1,UVGGMEHREVWXAQ-UHFFFAOYSA-N,2,1,0.475,65,981,430.447,3.225,5,0.366,0.66,1.0,0.6053903090946474,0.5204835172366528,0.3641971078061819,0.2978291412514564,0.4469750188472346
EOS-2-28385,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccn1,DFPAYACHNCBOSJ-UHFFFAOYSA-N,2,1,0.506,75,624,430.447,3.225,5,0.366,0.64,1.0,0.5519840997875403,0.4131742169830718,0.3717874031937496,0.30419436639024056,0.41028502158865054
EOS-2-28386,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ncn1,BMYFULUGKXYUNW-UHFFFAOYSA-N,2,1,0.484,31,864,430.447,3.225,5,0.391,0.67,0.995,0.5107429237201014,0.3070899869782743,0.3414519224179289,0.32580871770269343,0.3712733877047495
EOS-2-28387,Cc1cccnc1CCOc1cncc2nnc(-c3cc(-c4cnnn4C)ccc3F)n12,IDQPXPIIDIXNDO-UHFFFAOYSA-N,2,1,0.505,37,79,430.447,3.051,5,0.408,0.69,1.0,0.49820094578849977,0.5386710986224384,0.31209307107120826,0.28576691110958813,0.40868300664793367
EOS-2-28388,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)n(C)n1,ZTPKKXLEHQUHDB-UHFFFAOYSA-N,2,1,0.593,84,73,430.447,3.051,5,0.408,0.74,1.0,0.585155232677678,0.5916232609142622,0.19693646768555959,0.20911006785004455,0.39570625728188613
EOS-2-28389,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)cn1,XURHAARIGZBEIV-UHFFFAOYSA-N,2,1,0.505,65,468,430.447,3.225,5,0.366,0.72,1.0,0.4472191762045096,0.45331025974916045,0.37570248783496674,0.30731272702350765,0.3958861627030361
EOS-2-28390,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cn1,CCQRYVJVADSLRF-UHFFFAOYSA-N,2,1,0.475,65,981,430.447,3.036,5,0.373,0.67,1.0,0.47589267356589676,0.3464464395860462,0.2500942361729833,0.22653519292714688,0.3247421355630183
EOS-2-28391,CCn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1F,YZSRHJOFFUHEDD-UHFFFAOYSA-N,2,1,0.583,37,393,430.447,3.225,5,0.391,0.75,1.0,0.5625985196353916,0.5204920841614694,0.26807621136316906,0.2768915769995203,0.4070145980398876
EOS-2-28392,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,CIJNBVPGOPKESQ-UHFFFAOYSA-N,2,1,0.46,65,905,430.447,3.225,5,0.391,0.6,0.996,0.5416438215338222,0.41318278390788843,0.4267442258926736,0.37096497841134946,0.4381339524364334
EOS-2-28393,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,LUIWJWDKJFEFRC-UHFFFAOYSA-N,2,1,0.539,15,931,430.447,3.225,5,0.391,0.69,1.0,0.4266585566445069,0.3561184977040642,0.2642639298197519,0.26223356863820163,0.3273186382016311
EOS-2-28394,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)n(C)n1,DJXOSAGVTAINPU-UHFFFAOYSA-N,2,1,0.543,65,981,430.447,3.051,5,0.408,0.67,1.0,0.5910150092522788,0.5575697347680076,0.32317010485915976,0.2709803988760195,0.4356838119388664
EOS-2-28395,CCn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccccn1,ZEIYWACYGKRADV-UHFFFAOYSA-N,2,1,0.424,95,477,430.447,3.225,5,0.391,0.63,0.988,0.3634175176478651,0.2003889383866767,0.1304057295593174,0.15670618874648756,0.2127295935850867
EOS-2-28396,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c(C)n1,OJEXOVXRWFCCBU-UHFFFAOYSA-N,2,1,0.505,55,448,430.447,3.491,5,0.381,0.63,1.0,0.5156774724145021,0.40836817216092114,0.34913645397847987,0.26514632307586866,0.3845821054074429
EOS-2-28397,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)c1,SOLWZNLWQZJECV-UHFFFAOYSA-N,2,1,0.5,65,981,430.447,3.225,5,0.391,0.72,1.0,0.6137773284901652,0.5817198958261942,0.3603848262627647,0.3008618326365568,0.4641859708039202
EOS-2-28398,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccncn4)n23)ccc1F,PTYGEYQMTHEJQC-UHFFFAOYSA-N,2,1,0.479,26,125,430.447,3.225,5,0.391,0.68,1.0,0.6697107806181893,0.562178740319375,0.4084195737098211,0.3546449866355973,0.4987385203207457
EOS-2-28399,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1,OJTXKKDUDJSMQS-UHFFFAOYSA-N,2,1,0.539,15,734,430.447,3.225,5,0.391,0.67,1.0,0.702856212733877,0.5916318278390789,0.2247704064149133,0.22969638818449728,0.4372387087930916
EOS-2-28400,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2C)cn1,VCJDZADMSUMLFR-UHFFFAOYSA-N,2,1,0.479,95,235,430.447,3.051,5,0.408,0.75,1.0,0.3866081831265849,0.3314371873072442,0.29029881433760535,0.2562195874169008,0.31614094304708384
EOS-2-28401,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)nn1C,XRSVDOIRQJUQNH-UHFFFAOYSA-N,2,1,0.495,87,304,430.447,3.051,5,0.408,0.66,0.972,0.5519926667123569,0.5710797752038929,0.2642724967445686,0.2206754163525461,0.4020050887533412
EOS-2-28402,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)nc2)cn1,TVALQCMOIUAZHK-UHFFFAOYSA-N,2,1,0.442,65,904,430.447,3.225,5,0.391,0.72,1.0,0.41953944212185595,0.32683674868069357,0.3868309231718182,0.3258172846275101,0.36475609965046946
EOS-2-28403,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c1,ILCKKZNFFNMNMI-UHFFFAOYSA-N,2,1,0.455,87,905,430.447,3.225,5,0.391,0.65,0.992,0.5057312727023507,0.3941128092659859,0.37179597011856624,0.32895277911041054,0.40014820779932836
EOS-2-28404,Cc1ncccc1-c1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)nn1C,VAFPAMFHSPJOGU-UHFFFAOYSA-N,2,1,0.453,95,235,430.447,3.051,5,0.408,0.7,0.893,0.35187786991981357,0.34119491467342883,0.20052600918374341,0.1863477486121582,0.269986635597286
EOS-2-28405,CCn1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ccn2)c1,RTGSRBATKFYBKN-UHFFFAOYSA-N,2,1,0.474,75,819,430.447,3.225,5,0.366,0.68,1.0,0.4735967377150298,0.4312332944966075,0.28684634363648825,0.23543622781166473,0.3567781509149476
EOS-2-28406,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ncccc4F)n23)c1,HOQHMCOLSZCFDX-UHFFFAOYSA-N,2,1,0.441,87,905,430.447,3.225,5,0.391,0.72,0.988,0.4660407100267288,0.3800630525666507,0.3231786717839764,0.28880816941950516,0.3645226509492152
EOS-2-28407,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)cn1,KADUESFTEFCBBW-UHFFFAOYSA-N,2,1,0.49,65,468,430.447,3.225,5,0.366,0.72,1.0,0.4289373586457405,0.44881262422040985,0.3642056747309986,0.2945822767459393,0.38413448358577207
EOS-2-28408,CCn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)n1,HEDVRYZLVVFGQX-UHFFFAOYSA-N,2,1,0.459,58,954,430.447,3.225,5,0.366,0.73,1.0,0.45210232335001027,0.4837828113220478,0.2176941265163457,0.18635631553697485,0.33498389418134467
EOS-2-28409,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccn1,OVNBLFADYDJJRW-UHFFFAOYSA-N,2,1,0.448,75,624,430.447,3.491,5,0.407,0.59,1.0,0.4447262010828593,0.35612706462888083,0.4231889520937564,0.31356658213967514,0.38440219998629294
EOS-2-28410,CCn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)cc2F)n1,WPOWTSTWLVYPAW-UHFFFAOYSA-N,2,1,0.494,36,534,430.447,3.491,5,0.407,0.76,1.0,0.4289459255705572,0.5110084983894181,0.3158625179905421,0.2562281543417175,0.37801127407305873
EOS-2-28411,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ccc2F)cn1,WYYHIJJJOMLZEU-UHFFFAOYSA-N,2,1,0.553,26,361,430.447,3.225,5,0.391,0.62,1.0,0.6540590089781372,0.5621873072441916,0.44159927352477557,0.3933160852580358,0.5127904187512851
EOS-2-28412,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ccn2)cn1,MXDDMDKZNJDNON-UHFFFAOYSA-N,2,1,0.484,75,329,430.447,3.225,5,0.366,0.69,1.0,0.4104756356658214,0.3511668151600302,0.2868549105613049,0.24118463436364881,0.3224204989377013
EOS-2-28413,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cc1,PMXUPOWLKLUIKK-UHFFFAOYSA-N,2,1,0.563,15,734,430.447,3.225,5,0.391,0.67,1.0,0.8158967856898088,0.619971215132616,0.2608542937427181,0.2530241244602837,0.4874366047563567
EOS-2-28414,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)cn1,APMOYMGXMYAXCY-UHFFFAOYSA-N,2,1,0.505,75,329,430.447,3.225,5,0.391,0.68,1.0,0.4289544924953739,0.3607617709546981,0.31587108491535876,0.2798557329860873,0.3463607703378795
EOS-2-28415,CC(C)Oc1ncccc1-c1nnc2cncc(-c3ncc(-c4nccn4C)cc3F)n12,WSOMXZBYEPUKMF-UHFFFAOYSA-N,2,1,0.308,50,974,430.447,3.575,5,0.42,0.63,0.87,0.38661675005140156,0.422246590363923,0.3305290932766774,0.2354447947364814,0.3437093071071208
EOS-2-28416,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)n(C)n1,FZMJSRVXEVOXOO-UHFFFAOYSA-N,2,1,0.511,58,579,430.447,3.051,5,0.408,0.68,1.0,0.5290932766774039,0.5621958741690083,0.23221506408059764,0.20021759989034335,0.38093045370433826
EOS-2-28417,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cn1,UYJGCHLTXBZSDZ-UHFFFAOYSA-N,2,1,0.522,65,981,430.447,3.051,5,0.382,0.73,1.0,0.5131930642176684,0.5110170653142349,0.3491450209032966,0.27098896580083615,0.41108602905900904
EOS-2-28418,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)nn1C,SKKUMEXXFQWOKU-UHFFFAOYSA-N,2,1,0.495,87,142,430.447,3.051,5,0.382,0.62,1.0,0.4707525186758961,0.39412137619080256,0.39415564389006924,0.3073212939483243,0.3915877081762731
EOS-2-28419,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cn1,NACDAKBDQVEIPZ-UHFFFAOYSA-N,2,1,0.469,87,304,430.447,3.225,5,0.391,0.69,0.998,0.5683469261873758,0.5023559043245837,0.3083578918511411,0.2738160509903365,0.41321919333835927
EOS-2-28420,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)cn1,XHFZHHIGPWQKJY-UHFFFAOYSA-N,2,1,0.455,87,468,430.447,3.225,5,0.366,0.7,1.0,0.4195480090466726,0.4488211911452265,0.2758121444726201,0.23545336166129807,0.34490867658145435
EOS-2-28421,Cc1[nH]c(CF)nc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cn1,KCUWVXLOWDCNRE-UHFFFAOYSA-N,2,1,0.485,65,981,430.447,3.371,5,0.422,0.59,0.996,0.4982095127133164,0.38007161949146734,0.20053457610856007,0.1671749708724556,0.3114976697964499
EOS-2-28422,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)nc1,MXHGPYCGMLLLEZ-UHFFFAOYSA-N,2,1,0.426,31,304,430.447,3.225,5,0.391,0.68,0.383,0.5107514906449181,0.3844750188472346,0.31587965184017547,0.279864299910904,0.37274261531080805
EOS-2-28423,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1F,SKZZMQGHMKCRNK-UHFFFAOYSA-N,2,1,0.584,15,908,430.447,3.225,5,0.391,0.67,1.0,0.7305959152902474,0.6386985127818519,0.23565896785689808,0.2411932012884655,0.46153664930436566
EOS-2-28424,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5CCF)cc4)n23)nn1,NVWWYDCHBRUDPL-UHFFFAOYSA-N,2,1,0.478,36,448,430.447,3.302,5,0.391,0.64,1.0,0.4472277431293263,0.29209786854910563,0.2758207113974368,0.22654375985196354,0.3104225207319581
EOS-2-28425,CC(C)n1nc(C2CCOCC2)nc1-c1cncc2nnc(-c3ccc(-c4cncn4C)cc3)n12,QUQGXEGFJJBTKI-UHFFFAOYSA-N,2,1,0.311,78,792,469.553,3.925,6,0.384,0.59,0.983,0.038482626276471796,0.009046672606401206,0.005739839627167432,0.010931396066068124,0.01605013364402714
EOS-2-28426,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)n(C)n1,HOKDHUAYICYNNE-UHFFFAOYSA-N,2,1,0.533,15,931,430.447,3.051,5,0.408,0.67,1.0,0.5467411417997395,0.4837913782468645,0.1934754300596258,0.18925193612500857,0.35331497155780955
EOS-2-28427,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)n1C,GATYATVLPYKUEX-UHFFFAOYSA-N,2,1,0.511,65,904,430.447,3.051,5,0.408,0.63,1.0,0.5792783222534439,0.4750702487834967,0.4116493043657049,0.33235384826262765,0.4495879309163182
EOS-2-28428,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)c1,OZYOQEFZXYBUOY-UHFFFAOYSA-N,2,1,0.414,2,905,430.447,3.491,5,0.407,0.61,1.0,0.4566427935028442,0.37536837776711673,0.4836286066753478,0.364736824069632,0.42009415050373516
EOS-2-28429,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,RTFAIFYIVROTCW-UHFFFAOYSA-N,2,1,0.455,65,905,430.447,3.225,5,0.366,0.61,1.0,0.5238588856144198,0.4131913508327051,0.44511171269960936,0.3709735453361661,0.4382838736207251
EOS-2-28430,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)cn1,RCSWEWQCYDPGQC-UHFFFAOYSA-N,2,1,0.417,92,36,430.447,3.491,5,0.407,0.68,1.0,0.3105938592282914,0.3123500788157083,0.4764666575286135,0.3579689534644644,0.3643448872592694
EOS-2-28431,FCCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1,PBIRHRIQMCOAGL-UHFFFAOYSA-N,2,1,0.651,15,734,430.447,3.036,5,0.373,0.73,1.0,0.6540675759029538,0.5157802755123021,0.1517202385031869,0.16452779110410526,0.371523970255637
EOS-2-28432,Cc1ncc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5)n(C)n4)n23)cn1,PLTNFUKTVGABIU-UHFFFAOYSA-N,2,1,0.523,95,835,430.447,3.051,5,0.408,0.74,0.999,0.5032125968062504,0.3844835857720513,0.28686347748612157,0.27382461791515317,0.3620960694948941
EOS-2-28433,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,VIUZWJOERGTSMU-UHFFFAOYSA-N,2,1,0.474,65,905,430.447,3.225,5,0.391,0.66,1.0,0.5107600575697347,0.4179031594818724,0.4558889041189775,0.3870022616681516,0.4428885957096841
EOS-2-28434,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1,KBYREVPPRVTKDA-UHFFFAOYSA-N,2,1,0.566,15,187,430.447,3.225,5,0.366,0.61,1.0,0.805676444383524,0.6538020012336372,0.31958056336097596,0.2916523884586389,0.517677849359194
EOS-2-28435,CCn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)n1,SIUDKXPVPIECIM-UHFFFAOYSA-N,2,1,0.484,87,304,430.447,3.225,5,0.391,0.73,1.0,0.4858817079021315,0.5070762798985676,0.24289801932698238,0.22068398327736274,0.36413499760126106
EOS-2-28436,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)n(C)n1,PYOWNDGDHGGFGZ-UHFFFAOYSA-N,2,1,0.595,37,619,430.447,3.051,5,0.408,0.69,1.0,0.669719347543006,0.6340552395312179,0.23947124940031525,0.2265523267767802,0.44244954081282983
EOS-2-28437,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,OFCDCOKMRKTRDR-UHFFFAOYSA-N,2,1,0.412,18,211,430.447,3.225,5,0.391,0.61,1.0,0.4682681104790624,0.2556370365293674,0.3718045370433829,0.322724624768693,0.35460857720512645
EOS-2-28438,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)c(C)n1,YGVHCOMOASROGB-UHFFFAOYSA-N,2,1,0.467,92,468,430.447,3.491,5,0.407,0.79,1.0,0.41048420259063806,0.40377630045918717,0.3195891302857926,0.25890960180933453,0.34818980878623806
EOS-2-28439,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)cn1,FYQVBXALZSLQGQ-UHFFFAOYSA-N,2,1,0.545,75,329,430.447,3.225,5,0.391,0.67,1.0,0.45434685765197724,0.3268453156055102,0.3941642108148859,0.3323624151874443,0.3769296998149544
EOS-2-28440,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)cn1,LXFUSDKDZFILID-UHFFFAOYSA-N,2,1,0.505,65,468,430.447,3.225,5,0.391,0.7,1.0,0.4543554245767939,0.44882975807004316,0.3567781509149476,0.30732986087314096,0.39182329860873144
EOS-2-28441,Cc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cn(C)nc5F)c4)n23)cn1,ZBZXFZZGTFWMFX-UHFFFAOYSA-N,2,1,0.542,75,329,430.447,3.051,5,0.408,0.74,1.0,0.5467497087245562,0.4533188266739771,0.38313857857583444,0.28290555822082103,0.4165281680487972
EOS-2-28442,Cc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1cnnn1C,GHHBEQHKCUMDBL-UHFFFAOYSA-N,2,1,0.54,15,438,430.447,3.051,5,0.382,0.62,1.0,0.5995476663696799,0.5386796655472551,0.45589747104379413,0.3904632992940854,0.4961470255637036
EOS-2-28443,CCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)cn1,CTNVFKIMQYNORB-UHFFFAOYSA-N,2,1,0.41,18,711,430.447,3.225,5,0.366,0.74,1.0,0.31060242615310807,0.20491227468987733,0.27926461517373724,0.2384517853471318,0.2583077753409636
EOS-2-28444,CCn1cncc1-c1cnc(F)c(-c2nnc3cncc(OCCc4ccncc4)n23)c1,NYZZGAXOKCHSTN-UHFFFAOYSA-N,2,1,0.478,65,905,430.447,3.225,5,0.366,0.65,1.0,0.5032211637310671,0.42670139126859025,0.3979679254334864,0.3258258515523268,0.4134290829963676
EOS-2-28445,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)nn2C)c(C)n1,JKATXHMAPVFEDY-UHFFFAOYSA-N,2,1,0.421,95,694,430.447,3.317,5,0.395,0.72,1.0,0.3658933589198821,0.32229627852785964,0.34915358782811323,0.2589181687341512,0.32406534850250157
EOS-2-28446,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccn1,SULUMYZXAXWREV-UHFFFAOYSA-N,2,1,0.528,75,304,430.447,3.051,5,0.408,0.67,0.995,0.4785141525597971,0.4037848673840038,0.3011445411555068,0.2562367212665342,0.35992007059146053
EOS-2-28447,CCn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cnncc5F)n34)c2)c1,ZELSSCVLFZERGQ-UHFFFAOYSA-N,2,1,0.516,15,438,430.447,3.225,5,0.391,0.61,1.0,0.5626070865602083,0.5110256322390515,0.41165787129052156,0.35465355356041395,0.45998603591254883
EOS-2-28448,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cn1,ZPULKDNLDGFQPE-UHFFFAOYSA-N,2,1,0.475,65,904,430.447,3.225,5,0.391,0.67,1.0,0.6277414159413337,0.5205006510862861,0.38683949009663493,0.32583441847714345,0.46522899390034955
EOS-2-28449,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,VZYSSDYBCWAUFA-UHFFFAOYSA-N,2,1,0.539,15,931,430.447,3.225,5,0.391,0.73,1.0,0.4707610856007128,0.3607703378795148,0.23947981632513193,0.24695017476526626,0.32949035364265644
EOS-2-28450,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cn1,LLGPDEHJQGWFQR-UHFFFAOYSA-N,2,1,0.505,87,304,430.447,3.051,5,0.408,0.73,0.996,0.5082242478240011,0.5070848468233843,0.29387122198615584,0.24695874169008292,0.389034764580906
EOS-2-28451,CCc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)nn2C)cn1,LRDVKBXUAOIDGB-UHFFFAOYSA-N,2,1,0.467,95,998,430.447,3.262,5,0.408,0.7,1.0,0.4104927695154547,0.33630320060311153,0.2608628606675348,0.25303269138510043,0.31517288054280035
EOS-2-28452,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4cncc(F)c4)nc3)n12,LQSCAYZVBMFCPB-UHFFFAOYSA-N,2,1,0.516,65,349,430.447,3.051,5,0.408,0.65,1.0,0.47076965252552944,0.5023644712494003,0.2938797889109725,0.2651548900006854,0.38304220067164696
EOS-2-28453,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cncs6)n5)n34)s2)cc1,AOEILFVKNQYFJP-UHFFFAOYSA-N,2,1,0.412,28,414,469.555,5.012,6,0.338,0.62,1.0,0.32570591460489345,0.2763261599616202,0.22477897333972996,0.2530412583099171,0.26996307655404017
EOS-2-28454,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cc2)cs1,HJNRSYKNKRUNHI-UHFFFAOYSA-N,2,1,0.595,40,120,469.555,5.012,6,0.338,0.65,1.0,0.4354996230553081,0.4796449866355973,0.469955794667946,0.41840004112123913,0.4508751113700226
EOS-2-28455,c1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)s2)nc1,CCPLPVIJQRUDRC-UHFFFAOYSA-N,2,1,0.506,41,78,469.555,5.012,6,0.338,0.63,1.0,0.5851637996024946,0.5205092180111027,0.30486258652594067,0.29783770817627303,0.4270933280789528
EOS-2-28456,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nsc(-c6cccs6)n5)n34)cc2)nc1,TUJZRUDYOJICHK-UHFFFAOYSA-N,2,1,0.451,28,59,469.555,5.012,6,0.338,0.71,1.0,0.4566513604276609,0.45332739359879376,0.17706976903570695,0.21786546501267906,0.32622849701871015
EOS-2-28457,COc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)s2)s1,INPHRDZTMCYWSE-UHFFFAOYSA-N,2,1,0.314,30,541,469.555,5.109,6,0.346,0.7,0.872,0.2922606401206223,0.27117743814680284,0.17401137687615653,0.1972534439037763,0.23367572476183948
EOS-2-28458,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncs6)s5)n34)cc2)nc1,PWGGSPBYUXADFX-UHFFFAOYSA-N,2,1,0.566,41,592,469.555,5.012,6,0.338,0.69,1.0,0.41955657597148927,0.44450346103762595,0.31210163799602497,0.3135751490644918,0.372434206017408
EOS-2-28459,c1ccc(-c2nc(-c3cc(-c4nnc5cncc(OCc6cncs6)n45)ccn3)cs2)cc1,YVXLIQNPDWZLDE-UHFFFAOYSA-N,2,1,0.506,28,942,469.555,5.012,6,0.338,0.73,1.0,0.5570557192790077,0.41319991775752174,0.29030738126242206,0.28881673634432187,0.38734493866081837
EOS-2-28460,c1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)cs1,ZKKUNLJLBOIRQY-UHFFFAOYSA-N,2,1,0.467,40,355,469.555,5.012,6,0.338,0.63,1.0,0.4682766774038791,0.4664947570420122,0.41551298745802207,0.39633164279350286,0.43665401617435406
EOS-2-28461,c1csc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cc5)n34)cc2)n1,FWUSJFIZEHXIKW-UHFFFAOYSA-N,2,1,0.531,77,323,469.555,5.012,6,0.338,0.8,1.0,0.4635049002809951,0.41791172640668905,0.4938232472071825,0.45633438420944417,0.45789356452607777
EOS-2-28462,c1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)s5)n34)nn2)c1,CYLQHXBVJGZNLZ-UHFFFAOYSA-N,2,1,0.448,6,280,469.555,5.012,6,0.338,0.62,1.0,0.3954149818381194,0.380080186416284,0.3491621547529299,0.35797752038928105,0.3706587108491536
EOS-2-28463,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cncs6)s5)n34)cc2)cc1,KCHUQUBEHCAYOC-UHFFFAOYSA-N,2,1,0.494,12,285,469.555,5.012,6,0.338,0.72,1.0,0.41261736686998834,0.4837999451716812,0.21113186210677815,0.29459084367075594,0.3505350044548009
EOS-2-28464,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cccs6)s5)n34)cn2)nc1,RBEIAHAPXATWFY-UHFFFAOYSA-N,2,1,0.512,28,297,469.555,5.012,6,0.338,0.71,1.0,0.38438078267425124,0.4445120279624426,0.2322236310054143,0.24120176821328215,0.32557955246384757
EOS-2-28465,c1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cc2)cs1,YLVJPZUVLJNFCT-UHFFFAOYSA-N,2,1,0.531,77,323,469.555,5.012,6,0.338,0.77,1.0,0.4759012404907135,0.4083767390857378,0.5454989377013227,0.5094321842231513,0.48480227537523135
EOS-2-28466,c1cnnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)nc2)c1,XAKPFVABACLKJD-UHFFFAOYSA-N,2,1,0.446,6,280,469.555,5.012,6,0.338,0.61,1.0,0.23575320402988142,0.16190631211020493,0.37950620245356725,0.3679322870262491,0.2862745014049757
EOS-2-28467,c1csc(-c2cscc2COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)c1,NOSQYZRCLHFRLP-UHFFFAOYSA-N,2,1,0.402,80,277,469.555,5.012,6,0.338,0.65,1.0,0.36590192584469877,0.28133781097937083,0.4155215543828387,0.39047186621890206,0.36330828935645265
EOS-2-28468,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nccs6)nc5)n34)cs2)cc1,ZJRZNDZCAJGBSL-UHFFFAOYSA-N,2,1,0.494,28,363,469.555,5.012,6,0.338,0.72,1.0,0.39959564114865326,0.46650332396682886,0.21429305736412857,0.21527825371804538,0.323917569049414
EOS-2-28469,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ncccn6)s5)n34)cs2)cc1,QSSXRCJKSZJDAA-UHFFFAOYSA-N,2,1,0.421,28,414,469.555,5.012,6,0.338,0.71,1.0,0.2840192584469879,0.2456137344938661,0.16426221643478855,0.17528784867384004,0.21729576451237065
EOS-2-28470,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cc5)n34)cc2)cs1,GQZNTWVXGSVEKB-UHFFFAOYSA-N,2,1,0.531,77,323,469.555,5.012,6,0.338,0.77,1.0,0.47590980741553013,0.40838530601055445,0.5455075046261394,0.5094407511479679,0.484810842300048
EOS-2-28471,COc1ccc(F)cc1COc1cncc2nnc(-c3ccc(-c4cncn4C)cc3)n12,KLDAVFKRXANOEM-UHFFFAOYSA-N,2,1,0.541,43,521,430.443,3.919,5,0.406,0.78,1.0,0.8240182304160099,0.6434274552806525,0.7988057706805565,0.6646305942019053,0.732720512644781
EOS-2-28472,COc1cc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)ccc1-c1cncn1C,ZNVWZBURABGBRS-UHFFFAOYSA-N,2,1,0.614,43,383,430.443,3.919,5,0.406,0.79,1.0,0.8410578438763622,0.6290521554382839,0.7988143376053731,0.6762901788773902,0.7363036289493523
EOS-2-28473,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)s2)cc1,NXPLOYOEKOQNEE-UHFFFAOYSA-N,2,1,0.403,96,139,430.443,5.391,5,0.382,0.72,0.989,0.26773353437050235,0.49311219244739907,0.9442635871427593,0.9330323487081077,0.6595354156671921
EOS-2-28474,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(O)c5)n34)cc2)cn1,SNFHFBXDTUBLKY-UHFFFAOYSA-N,2,1,0.646,91,322,430.443,3.658,5,0.442,0.67,1.0,0.7306044822150641,0.7531697621821671,0.7861267219518882,0.6992666712356932,0.7422919093962033
EOS-2-28475,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1O,DNMZBEJMBSLLSD-UHFFFAOYSA-N,2,1,0.631,91,309,430.443,3.658,5,0.442,0.71,1.0,0.7335001028030979,0.6434360222054691,0.7032588582002605,0.6387327804811185,0.6797319409224865
EOS-2-28476,COc1cccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4)n23)c1F,PWMBWXFFRKYNJY-UHFFFAOYSA-N,2,1,0.517,1,178,430.443,3.919,5,0.406,0.78,1.0,0.8746573230073333,0.687795558906175,0.8111335754917415,0.6703704338290727,0.7609892228085807
EOS-2-28477,COc1cccc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)c1F,KREIEBSSANOUDX-UHFFFAOYSA-N,2,1,0.523,43,178,430.443,3.919,5,0.406,0.78,1.0,0.77460420807347,0.712091357686245,0.7816290864231376,0.6328558700568844,0.7252951305599342
EOS-2-28478,Cn1cc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)c(-c2cccc(F)c2)n1,KMTHDEXOLMSRGT-UHFFFAOYSA-N,2,1,0.545,43,230,430.443,3.402,5,0.444,0.78,1.0,0.5737869234459598,0.552660886848057,0.7159464738537454,0.6703790007538893,0.6281933212254129
EOS-2-28479,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)s2)nn1,QIASJXAYKWGMCW-UHFFFAOYSA-N,2,1,0.308,38,193,469.559,4.507,6,0.371,0.67,1.0,0.08224247824001096,0.13903262284970186,0.09284833116304571,0.09319100815571242,0.10182861010211773
EOS-2-28480,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnsc5)s4)n23)cc1,NMCVWHJPKTXUHG-UHFFFAOYSA-N,2,1,0.376,96,680,430.44,5.057,5,0.4,0.63,1.0,0.25203892810636697,0.4083938729353711,0.9461654444520595,0.9158299636762388,0.6306070522925091
EOS-2-28481,c1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)nc1,PZDIBNOVNFNVPT-UHFFFAOYSA-N,2,1,0.31,94,167,430.435,3.162,6,0.415,0.67,1.0,0.11699849222123226,0.13904118977451854,0.3121102049208416,0.3042029333150572,0.2180882050579124
EOS-2-28482,c1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)cn5)n34)c2)cn1,QPBFCXFSTUGBBE-UHFFFAOYSA-N,2,1,0.269,86,421,430.435,3.162,6,0.415,0.6,1.0,0.0964721403604962,0.06527996710300871,0.4084281406346378,0.4089421561236379,0.24478060105544514
EOS-2-28483,c1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)cn1,JLBBKMAYFBJNNH-UHFFFAOYSA-N,2,1,0.324,94,165,430.435,3.162,6,0.415,0.69,1.0,0.1386556781577685,0.15795695976972107,0.4302823658419574,0.42479953395929,0.28792363443218427
EOS-2-28484,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnn6)n5)n34)cc2)nc1,RTPDAXQUOPNRDU-UHFFFAOYSA-N,2,1,0.307,38,186,430.435,3.162,6,0.415,0.68,1.0,0.12218148173531629,0.12140189157699952,0.20054314303337675,0.26516345692550203,0.17732249331779865
EOS-2-28485,c1cc(-c2cncnc2)cc(-c2cncc3nnc(-c4cnc(-c5cnccn5)nc4)n23)c1,PVBYHLOGONHDGR-UHFFFAOYSA-N,2,1,0.293,94,459,430.435,3.162,6,0.415,0.6,1.0,0.11950860119251594,0.09264272496744569,0.3048711534507573,0.33237098211226096,0.21234836543074498
EOS-2-28486,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c1,SDYBRKKBIBLTNI-UHFFFAOYSA-N,2,1,0.322,9,7,430.435,3.301,6,0.455,0.76,1.0,0.023601877869919814,0.1054931121924474,0.5912120485230622,0.584949626482078,0.32631416626687687
EOS-2-28487,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cc2)cn1,PMNNYSVBJGIJNH-UHFFFAOYSA-N,2,1,0.319,42,50,430.435,3.162,6,0.415,0.65,1.0,0.11951716811733261,0.10214344458913029,0.3831471455006511,0.3836697279144678,0.24711937153039543
EOS-2-28488,c1cnnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)c1,HJZIXUNLWKGSCU-UHFFFAOYSA-N,2,1,0.293,94,167,430.435,3.162,6,0.415,0.67,1.0,0.16887978891097252,0.1390497566993352,0.3603933931875814,0.36794085395106574,0.2590659481872387
EOS-2-28489,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)nc2)cn1,IKHMOXNHUFDUQG-UHFFFAOYSA-N,2,1,0.257,42,596,430.435,3.162,6,0.415,0.67,1.0,0.09396203138921252,0.04246624631622233,0.3678551847028991,0.38069700500308407,0.22124511685285447
EOS-2-28490,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cncnc6)n5)n34)cn2)cc1,JBKVFEPWGJPTCJ-UHFFFAOYSA-N,2,1,0.311,94,945,430.435,3.162,6,0.415,0.71,0.994,0.11952573504214926,0.10550167911726406,0.22851415255979712,0.2945994105955726,0.18703524432869575
EOS-2-28491,CCOc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncnn5C)n34)cn2)cn1,KGZUQRTWCTUWRN-UHFFFAOYSA-N,2,1,0.402,92,986,430.432,1.749,5,0.376,0.61,1.0,0.27053491878555275,0.16970221369337263,0.03128640943047084,0.01333013501473511,0.12121341923103283
EOS-2-28492,COc1nc(-c2nnc3cncc(OCCc4cncnn4)n23)ccc1-c1cncn1C,FLVOVLLFYFRNBI-UHFFFAOYSA-N,2,1,0.388,31,456,430.432,1.402,5,0.373,0.66,0.99,0.3106109930779247,0.0865173737235282,0.03785724076485505,0.019421218559385924,0.11360170653142347
EOS-2-28493,COc1nc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1-c1ncnn1C,SQAXZZZEIKOZGM-UHFFFAOYSA-N,2,1,0.408,31,602,430.432,1.402,5,0.373,0.61,0.997,0.28402782537180454,0.08318483996984442,0.016448495648002194,0.007470358440134329,0.09778287985744638
EOS-2-28494,N#Cc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)no2)c[nH]1,DXCPYWHTQACRTD-UHFFFAOYSA-N,2,1,0.296,38,479,430.431,4.375,6,0.44,0.6,1.0,0.16073264341032142,0.20492084161469398,0.7133935302583785,0.7105064765951614,0.4473883729696388
EOS-2-28495,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(C#N)c5)cn4)n23)cc1,ABSLRFSLKFIOES-UHFFFAOYSA-N,2,1,0.538,89,230,430.431,3.571,5,0.414,0.81,1.0,0.7803954492495374,0.8412891508464122,0.7920893016242889,0.7682132821602358,0.7954967959701186
EOS-2-28496,N#Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(C#N)nc5)c4)n23)cc1,AOKFANFMKNMYTL-UHFFFAOYSA-N,2,1,0.543,89,230,430.431,3.571,5,0.414,0.75,1.0,0.8726954972243164,0.8195377287368926,0.8168048797203755,0.7631245288191351,0.8180406586251799
EOS-2-28497,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1nnc(C)o1,WHHRQJMVCSTWST-UHFFFAOYSA-N,2,1,0.541,15,361,430.428,2.57,5,0.38,0.74,1.0,0.43550818998012475,0.16191487903502158,0.14548351723665273,0.07888424371187719,0.20544770749091906
EOS-2-28498,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnnn5C)c(OC)c4)n23)cn1,GPCUCVJUTADGLM-UHFFFAOYSA-N,2,1,0.437,15,638,430.428,2.791,5,0.401,0.67,1.0,0.22744328695771365,0.11199540812829827,0.3121187718456583,0.13917826057158522,0.19768393187581385
EOS-2-28499,COc1nc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)ccc1-c1nnco1,ZBRZNRDVMMTLNA-UHFFFAOYSA-N,2,1,0.423,49,501,430.428,2.57,5,0.38,0.55,0.999,0.3887927489548352,0.10551024604208073,0.061990267973408265,0.028947638955520525,0.14631022548146116
EOS-2-28500,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)s5)n34)ncn2)cn1,BPPLBNYVOJWNAH-UHFFFAOYSA-N,2,1,0.415,46,238,430.428,3.295,5,0.417,0.56,0.999,0.6420738811596189,0.6056044822150641,0.5523096429305736,0.5094493180727846,0.5773593310945103
EOS-2-28501,COc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5noc(C)n5)c4)n23)c1,VVAZMSMKLLMHGP-UHFFFAOYSA-N,2,1,0.506,87,131,430.428,2.57,5,0.38,0.74,1.0,0.4149133027208553,0.15429031594818723,0.10793468576519773,0.056524569940374206,0.18341571859365363
EOS-2-28502,COc1cncc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(O)c4)n23)n1,RCPVIMHMNAURMN-UHFFFAOYSA-N,2,1,0.407,7,815,430.428,2.275,5,0.432,0.64,1.0,0.4105013364402714,0.235067850044548,0.26087142759235143,0.13682235624700156,0.2608157425810431
EOS-2-28503,COc1cc(-c2nnc3cncc(OCc4coc(C)n4)n23)ccc1-c1cnc(=N)[nH]c1,NZHXDCCPGKHZNQ-UHFFFAOYSA-N,2,1,0.474,4,83,430.428,2.545,5,0.419,0.63,1.0,0.4037248989102872,0.26052018367486807,0.2938883558357892,0.13022582413816736,0.27208981563977797
EOS-2-28504,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)nn4)n23)c(F)c1,SSPJOIJSTCZFJD-UHFFFAOYSA-N,2,1,0.471,51,446,430.428,3.295,5,0.417,0.7,1.0,0.7061202110890274,0.7918237269549723,0.49725001713384964,0.5365979028168049,0.6329479644986635
EOS-2-28505,CCOc1ccnc(COc2cncc3nnc(-c4ccc(-c5nnc(C)o5)nc4)n23)c1,VMVDHHXVHMVCNU-UHFFFAOYSA-N,2,1,0.457,92,617,430.428,2.917,5,0.38,0.78,0.999,0.26255911178123503,0.21483277362757863,0.12218148173531629,0.061125008566924814,0.16517459392776368
EOS-2-28506,COc1cc(-c2nnc3cncc(OCc4cnn(C)c4)n23)ccc1-c1cn[nH]c(=O)c1,YZTFSCFSZRWHBA-UHFFFAOYSA-N,2,1,0.426,16,375,430.428,1.863,5,0.433,0.66,1.0,0.31835549311219247,0.16971078061818928,0.37571105475978345,0.22656089370159688,0.27258455554794053
EOS-2-28507,N#Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ncc(F)s5)n34)ccn2)c1,CVKTYGQCQPWDPG-UHFFFAOYSA-N,2,1,0.511,75,496,430.428,3.295,5,0.417,0.65,1.0,0.5416523884586388,0.5764426701391269,0.5042577616338839,0.4931036255225824,0.5288641114385579
EOS-2-28508,CN1CCCC1c1cccc(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)n1,UMSUTPAAYHAOEG-UHFFFAOYSA-N,2,1,0.459,1,92,469.574,4.656,6,0.358,0.7,0.977,0.19699643615927626,0.07966383387019396,0.08826502638612843,0.14155986567061887,0.12662129052155438
EOS-2-28509,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5cnoc5)s4)n23)cc1,QUIAGNWOMDJOEK-UHFFFAOYSA-N,2,1,0.365,32,750,430.424,4.969,6,0.39,0.61,1.0,0.3078867109862244,0.35117538208484683,0.5587862380919745,0.6269018573093003,0.4611875471180865
EOS-2-28510,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)c(O)c4)n23)c1,CZVOVNCKPWUOQA-UHFFFAOYSA-N,2,1,0.523,35,103,430.424,3.177,5,0.415,0.62,1.0,0.4955966006442327,0.2711860050716195,0.4972585840586663,0.33237954903707767,0.399105184702899
EOS-2-28511,FC(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cc1,LOUIHWRZKDKRPD-UHFFFAOYSA-N,2,1,0.575,1,988,430.418,4.765,5,0.386,0.71,1.0,0.9181516003015557,0.7575474607634843,0.9502175998903434,0.9252535809745733,0.8877925604824892
EOS-2-28512,Fc1cc(F)cc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1,VFRMGQSTYXRGMP-UHFFFAOYSA-N,2,1,0.571,84,752,430.418,4.148,5,0.403,0.72,1.0,0.7888767048180385,0.7704406826125694,0.8296724007950106,0.8256887807552601,0.8036696422452196
EOS-2-28513,Cc1ncc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)c(-c2ccccc2)n1,YYKDHGODRNCLCB-UHFFFAOYSA-N,2,1,0.553,57,709,430.418,4.414,5,0.411,0.8,1.0,0.9048214652868206,0.9004094990062367,0.7419727914467823,0.7450054828318826,0.8230523096429305
EOS-2-28514,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2)cnc1F,JHIDPPMODQILBN-UHFFFAOYSA-N,2,1,0.608,35,352,430.418,4.148,5,0.377,0.76,1.0,0.9533102597491604,0.9519224179288602,0.8728582687958331,0.8454269755328627,0.9058794805016791
EOS-2-28515,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(OC(F)F)c5)n34)cc2)n1,ZSANCGVWUUGSTC-UHFFFAOYSA-N,2,1,0.434,96,697,430.418,4.825,5,0.398,0.79,1.0,0.5007624563086834,0.6243917483380166,0.9062178740319375,0.8749828661503667,0.7265887362072511
EOS-2-28516,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2F)cn1,UPKPSODCPOXERE-UHFFFAOYSA-N,2,1,0.62,97,71,430.418,4.414,5,0.411,0.69,1.0,0.7601261051333014,0.757556027688301,0.8742632444657665,0.8436107874717291,0.8088890411897746
EOS-2-28517,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)cn1,SIGHYLCDLKPZBX-UHFFFAOYSA-N,2,1,0.61,35,111,430.418,4.148,5,0.377,0.74,1.0,0.9533188266739772,0.9430128161195257,0.8631005414296484,0.8491278870536633,0.9021400178192036
EOS-2-28518,Cc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1ccccc1,REPBNOXRVAMVTA-UHFFFAOYSA-N,2,1,0.449,1,700,430.418,4.414,5,0.411,0.7,1.0,0.6420824480844356,0.6105133301350147,0.7745956411486533,0.7580443424028511,0.6963089404427387
EOS-2-28519,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccccc4F)nn3)n12,UIRNJLUZEYNRMC-UHFFFAOYSA-N,2,1,0.633,19,691,430.418,4.148,5,0.403,0.73,1.0,0.8338616270303612,0.8234785141525598,0.7629874580220684,0.8113905832362415,0.8079295456103076
EOS-2-28520,Fc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)c1,YMTSTAMNVOIGMO-UHFFFAOYSA-N,2,1,0.631,11,525,430.418,4.148,5,0.377,0.82,1.0,0.9196079775203893,0.8827445000342677,0.8427198272907956,0.8316856281269276,0.8691894832430951
EOS-2-28521,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)nc1,NVKSVHUFQSQIFR-UHFFFAOYSA-N,2,1,0.576,11,429,430.418,4.148,5,0.403,0.74,1.0,0.8916112672195189,0.8308203687204441,0.8131211020492084,0.8113991501610582,0.8367379720375574
EOS-2-28522,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cc1F,FCQKIIHSUCRSRP-UHFFFAOYSA-N,2,1,0.697,19,691,430.418,4.148,5,0.403,0.82,0.998,0.9405112740730588,0.8635545884449318,0.776951545473237,0.8006819272154068,0.8454248338016586
EOS-2-28523,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)c5)nn4)n23)c1,IPRRKZZYRIWUIK-UHFFFAOYSA-N,2,1,0.617,19,691,430.418,4.148,5,0.403,0.83,1.0,0.8290127475841272,0.8482797614968131,0.7678192036186691,0.8159738880131588,0.815271400178192
EOS-2-28524,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(F)cn5)cn4)n23)cc1,HMAGLLBJSISSLQ-UHFFFAOYSA-N,2,1,0.6,11,275,430.418,4.148,5,0.403,0.71,1.0,0.9580991707216777,0.967865465012679,0.787831539990405,0.7916780892330889,0.8763685662394627
EOS-2-28525,FC(F)c1ncc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)cn1,YENPGSQCTHNFHD-UHFFFAOYSA-N,2,1,0.538,1,700,430.418,4.765,5,0.386,0.83,1.0,0.7662000548283189,0.6538105681584538,0.7941624974299225,0.7605030498252348,0.7436690425604826
EOS-2-28526,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)cnn2)cc1,AOAYBAHOILIQEB-UHFFFAOYSA-N,2,1,0.654,19,732,430.418,4.148,5,0.403,0.6,1.0,0.8861198684120348,0.929802618052224,0.8396271674319786,0.8609845109999315,0.8791335412240422
EOS-2-28527,Fc1cncc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)c1,RJDPJEBSHGQSJA-UHFFFAOYSA-N,2,1,0.552,35,111,430.418,4.148,5,0.377,0.77,1.0,0.8880131587965184,0.8378024124460284,0.8475173051881296,0.8398070728531286,0.8532849873209514
EOS-2-28528,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2)cc1,JMZRGQXYLFSNRF-UHFFFAOYSA-N,2,1,0.467,11,275,430.418,4.148,5,0.403,0.79,1.0,0.7945394421218559,0.8234870810773764,0.7769601123980536,0.8049482557741073,0.7999837228428484
EOS-2-28529,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)nc1,OXYOTEPKDOGTKR-UHFFFAOYSA-N,2,1,0.576,11,922,430.418,4.148,5,0.377,0.75,1.0,0.9469793023096429,0.9477074909190597,0.8222020423548763,0.8092574189568912,0.8815365636351175
EOS-2-28530,Cc1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)cn1,MHIIUQUBJXZKIY-UHFFFAOYSA-N,2,1,0.553,97,210,430.418,4.414,5,0.411,0.8,1.0,0.8861284353368515,0.9114436981701048,0.8793262970324173,0.8507384689191968,0.8819092248646425
EOS-2-28531,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)cn1,CSDIJVRJLZYTRY-UHFFFAOYSA-N,2,1,0.618,91,111,430.418,4.148,5,0.377,0.76,1.0,0.9686793228702625,0.9639760811459118,0.860093550818998,0.837810979370845,0.9076399835515043
EOS-2-28532,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)nc1,QFDMGOFDFNBHGN-UHFFFAOYSA-N,2,1,0.568,11,201,430.418,4.148,5,0.377,0.77,1.0,0.9154358851346721,0.8543451442670139,0.8168134466451923,0.8027979576451237,0.8473481084230005
EOS-2-28533,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)cc1,IQCHNGGLFOOFQG-UHFFFAOYSA-N,2,1,0.75,88,222,430.418,4.148,5,0.403,0.68,1.0,0.9666575286135289,0.9648156397779453,0.894960934822836,0.887584812555685,0.9285047289424987
EOS-2-28534,Cc1cnc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(F)cc4)n23)n1,BQXQORHYRXPZOA-UHFFFAOYSA-N,2,1,0.592,34,929,430.418,4.414,5,0.411,0.76,1.0,0.9167294907819888,0.9172863408950723,0.7215492426838462,0.7502141731204167,0.826444811870331
EOS-2-28535,Cc1cnc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccccc4F)n23)n1,FAEOCJDDTLYAHH-UHFFFAOYSA-N,2,1,0.53,34,929,430.418,4.414,5,0.411,0.78,1.0,0.7571790829963676,0.8079209786854911,0.6844887259269412,0.7237338085120965,0.743330649030224
EOS-2-28536,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)c1,GCYPNZQZTOOMAD-UHFFFAOYSA-N,2,1,0.61,11,595,430.418,4.148,5,0.403,0.7,1.0,0.9613631690768282,0.9265214858474402,0.8364831060242616,0.8357120827907615,0.8900199609348228
EOS-2-28537,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c(F)c1,SAGZYVAKIBFQKM-UHFFFAOYSA-N,2,1,0.649,91,201,430.418,4.148,5,0.403,0.72,1.0,0.951879583304777,0.9614831060242616,0.8659447604687821,0.8507470358440135,0.9075136214104584
EOS-2-28538,Cc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)nc1,BKDVBOQUJOFFCO-UHFFFAOYSA-N,2,1,0.435,59,469,430.418,4.414,5,0.411,0.77,1.0,0.6540761428277705,0.6485933109451032,0.8411435131245288,0.8137550544856418,0.7393920053457611
EOS-2-28539,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5c(F)cccc5F)n4)n23)cc1,XOJRHEBVABLFBJ-UHFFFAOYSA-N,2,1,0.518,34,929,430.418,4.414,5,0.411,0.72,1.0,0.8880217257213351,0.8692772942224659,0.8201716811733261,0.8114077170858749,0.8472196045507505
EOS-2-28540,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)nc1,AHNGCMPNWYXFLN-UHFFFAOYSA-N,2,1,0.605,11,201,430.418,4.148,5,0.377,0.77,1.0,0.9733311630457131,0.9588016585566445,0.8276848742375437,0.809265985881708,0.8922709204304022
EOS-2-28541,Fc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5ccc(C6COC6)cc5)n34)cn2)c1,FXULTKFRWDQWGF-UHFFFAOYSA-N,2,1,0.341,96,246,430.418,4.036,6,0.431,0.76,0.99,0.1526797340826537,0.31235864574052497,0.9110496196285381,0.9146734288259887,0.5726903570694264
EOS-2-28542,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)c1,LYXJGCSRAXMOMB-UHFFFAOYSA-N,2,1,0.571,11,429,430.418,4.148,5,0.403,0.77,1.0,0.9323384277979576,0.909507573161538,0.8089318758138578,0.8218079638133096,0.8681464601466657
EOS-2-28543,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1F,ROMFKNIGYQGTAX-UHFFFAOYSA-N,2,1,0.767,91,883,430.418,4.148,5,0.403,0.76,1.0,0.9697159207730793,0.9578250291275444,0.9051298745802207,0.8863340415324515,0.9297512165033239
EOS-2-28544,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)cc1,STFXLIGZKJOMMW-UHFFFAOYSA-N,2,1,0.511,11,275,430.418,4.148,5,0.377,0.77,1.0,0.8456154478788294,0.9265300527722569,0.7582927832225345,0.7729593585086697,0.8258494105955726
EOS-2-28545,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)c1,FLUWUPJEDYLBBT-UHFFFAOYSA-N,2,1,0.563,11,429,430.418,4.148,5,0.403,0.87,1.0,0.9167380577068056,0.9134140908779385,0.813129668974025,0.8238040572955931,0.8667714687135906
EOS-2-28546,Fc1ccc(F)c(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)c1,MSZSEUNLGQEJHU-UHFFFAOYSA-N,2,1,0.568,11,275,430.418,4.148,5,0.403,0.84,1.0,0.8916198341443355,0.9073829758070043,0.77460420807347,0.7824343773559044,0.8390103488451786
EOS-2-28547,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)c1,JWFDNOIQLRGJEY-UHFFFAOYSA-N,2,1,0.511,11,429,430.418,4.148,5,0.403,0.88,1.0,0.8410664108011788,0.8156740456445755,0.8067216092111575,0.8276334726886437,0.8227738845863889
EOS-2-28548,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cc1F,OBCNHKVMGWUAET-UHFFFAOYSA-N,2,1,0.605,35,884,430.418,4.148,5,0.403,0.76,1.0,0.8660389966417654,0.8720615447878829,0.8867366869988349,0.8763450071962169,0.875295558906175
EOS-2-28549,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5cc(F)cnn5)c4)n23)c1,WJDPEMKMDNFCBZ-UHFFFAOYSA-N,2,1,0.651,91,660,430.418,4.148,5,0.403,0.64,1.0,0.9181601672263724,0.8776900143924337,0.8276934411623603,0.8378195462956617,0.865340792269207
EOS-2-28550,COc1nc(-c2nnc3cncc(-c4ccc(F)cc4)n23)ccc1-c1ccc(F)c(C)n1,NUNZAFYPUSSYOB-UHFFFAOYSA-N,2,1,0.317,96,46,430.418,4.511,5,0.418,0.76,1.0,0.5057398396271674,0.5962836680145295,0.7290710026728805,0.6908453841409088,0.6304849736138716
EOS-2-28551,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)nn1,GMURPYXPCLMFOZ-UHFFFAOYSA-N,2,1,0.716,43,96,430.418,4.414,5,0.411,0.74,1.0,0.9405198409978754,0.9210643547392228,0.8821019806730176,0.8491364539784799,0.8982056575971489
EOS-2-28552,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c(F)c1,DGQSOFXYSAAIHX-UHFFFAOYSA-N,2,1,0.61,11,56,430.418,4.148,5,0.403,0.78,1.0,0.8986618463436364,0.9330323487081077,0.8028921938181071,0.7939997258584058,0.8571465286820643
EOS-2-28553,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)c1,IWBZSBDUOPNOQH-UHFFFAOYSA-N,2,1,0.511,11,275,430.418,4.148,5,0.403,0.86,1.0,0.8084606949489411,0.8827530669590844,0.7316753478171476,0.7658659447604688,0.7971887636214104
EOS-2-28554,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)c1F,PUAANCSVJMDEIQ-UHFFFAOYSA-N,2,1,0.638,91,300,430.418,4.148,5,0.403,0.74,1.0,0.9079655266945378,0.8855201836748681,0.8168220135700089,0.7963470632581728,0.8516636967993969
EOS-2-28555,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)c1,JGUVMTPYBLUEJK-UHFFFAOYSA-N,2,1,0.659,91,613,430.418,4.148,5,0.403,0.81,1.0,0.9196165444452059,0.9247824001096566,0.8111421424165581,0.8114162840106915,0.8667393427455281
EOS-2-28557,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ncc(F)cn5)n34)c2)cc1,WPFLVBXBVYOBHN-UHFFFAOYSA-N,2,1,0.588,57,80,430.418,4.148,5,0.403,0.73,1.0,0.8681807278459325,0.8776985813172503,0.7081420053457611,0.7580529093276678,0.803018555959153
EOS-2-28558,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)nn1,XTNYJEPWUPBTPQ-UHFFFAOYSA-N,2,1,0.704,91,613,430.418,4.148,5,0.403,0.72,1.0,0.9236001644849565,0.9210729216640394,0.8111507093413748,0.8092745528065246,0.8662745870742239
EOS-2-28559,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)n1,AHWQBAXMLYYAGG-UHFFFAOYSA-N,2,1,0.524,57,80,430.418,4.414,5,0.411,0.73,1.0,0.9434582962099924,0.9154958536083887,0.8222106092796929,0.8028065245699404,0.8709928209170036
EOS-2-28560,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)ncc1F,ANRZKRUXXHKKBF-UHFFFAOYSA-N,2,1,0.524,97,744,430.418,4.414,5,0.384,0.75,1.0,0.8290213145089439,0.8079295456103077,0.877989856761017,0.8398156397779453,0.8386890891645535
EOS-2-28561,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)c4)n23)cc1F,RTGOIJORZMQXRZ-UHFFFAOYSA-N,2,1,0.543,43,293,430.418,4.414,5,0.411,0.78,1.0,0.9209958193406894,0.8446388184497293,0.8493077924748133,0.8114248509355082,0.856591820300185
EOS-2-28562,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)nc1,JATFUYGKJBTTPC-UHFFFAOYSA-N,2,1,0.522,11,275,430.418,4.148,5,0.403,0.75,1.0,0.8456240148036461,0.8079381125351244,0.772462476869303,0.782442944280721,0.8021168871221986
EOS-2-28563,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c(F)c1,IOUSYTJDDPXMJI-UHFFFAOYSA-N,2,1,0.541,11,529,430.418,4.148,5,0.403,0.76,1.0,0.8267082448084435,0.834435610993078,0.8396357343567953,0.8378281132204783,0.8346519258446987
EOS-2-28564,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)c1,MZOIYIOWDYDRGP-UHFFFAOYSA-N,2,1,0.607,11,732,430.418,4.148,5,0.377,0.83,1.0,0.9236087314097732,0.9389263929819752,0.8364916729490782,0.8256973476800767,0.8811810362552258
EOS-2-28565,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1F,FWZRNDHBPWMDNZ-UHFFFAOYSA-N,2,1,0.633,84,529,430.418,4.148,5,0.403,0.8,1.0,0.9111524227263381,0.8512524844081968,0.8555787814406141,0.8454355424576794,0.8658548077582071
EOS-2-28566,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)c(F)n1,KIWYJPAVGNIDGP-UHFFFAOYSA-N,2,1,0.623,11,56,430.418,4.148,5,0.377,0.77,1.0,0.9413765334795422,0.9313874991433075,0.7769686793228703,0.7580614762524844,0.8519485470495511
EOS-2-28567,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c1F,APUGWIZPCXOFPB-UHFFFAOYSA-N,2,1,0.576,84,73,430.418,4.148,5,0.403,0.75,1.0,0.918168734151189,0.9283890754574737,0.8493163593996299,0.8316941950517442,0.8818920910150092
EOS-2-28568,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)nn1,KTWOWFQICTYBSN-UHFFFAOYSA-N,2,1,0.548,43,178,430.418,4.414,5,0.411,0.74,1.0,0.9048300322116373,0.8909344801590021,0.8728668357206497,0.8398242067027619,0.8771138886985128
EOS-2-28569,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)c1,XCTWEBJLBKDASQ-UHFFFAOYSA-N,2,1,0.565,11,384,430.418,4.148,5,0.377,0.86,1.0,0.8681892947707491,0.8482883284216298,0.8330649030224111,0.829792337742444,0.8448337159893085
EOS-2-28570,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)c1,BSYYWWBPIRZCKU-UHFFFAOYSA-N,2,1,0.467,11,503,430.418,4.148,5,0.403,0.77,1.0,0.6697279144678226,0.6486018778699199,0.7678277705434857,0.802815091494757,0.7222431635939962
EOS-2-28571,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)cc1,LNAUQGDIIXQBGW-UHFFFAOYSA-N,2,1,0.462,11,560,430.418,4.148,5,0.377,0.81,1.0,0.7945480090466726,0.7531783291069838,0.7517733534370502,0.7778339387293537,0.769333407580015
EOS-2-28572,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,MNQBJIGYQXUEBZ-UHFFFAOYSA-N,2,1,0.573,59,153,430.418,4.414,5,0.411,0.78,1.0,0.8108851346720581,0.702676307312727,0.8912600233020355,0.857617709546981,0.8156097937084504
EOS-2-28573,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2F)cn1,RRTOKAONXIGTJI-UHFFFAOYSA-N,2,1,0.619,11,111,430.418,4.148,5,0.377,0.72,1.0,0.934420190528408,0.9247909670344733,0.8168305804948256,0.804956822698924,0.8702496401891576
EOS-2-28574,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cn1,CUNNVFRAZQKCQU-UHFFFAOYSA-N,2,1,0.649,59,294,430.418,4.414,5,0.411,0.8,1.0,0.9333750257007745,0.8855287505996847,0.8925450620245357,0.8507556027688301,0.8905511102734562
EOS-2-28575,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)ccc1F,WFFAHMHACOEDBK-UHFFFAOYSA-N,2,1,0.5,34,801,430.418,4.414,5,0.411,0.76,1.0,0.7393941470769653,0.807946679459941,0.8131382358988417,0.7894506887807553,0.7874824378041259
EOS-2-28576,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cc1,WEHMXROHVVUQEB-UHFFFAOYSA-N,2,1,0.473,11,560,430.418,4.148,5,0.403,0.75,0.998,0.7486207251045165,0.7398910287163319,0.7769772462476869,0.8070214515797409,0.768127612912069
EOS-2-28577,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccn2)cc1,WVAWSWFQSRSVPL-UHFFFAOYSA-N,2,1,0.638,11,201,430.418,4.148,5,0.377,0.76,1.0,0.9587673908573778,0.9247995339592899,0.8346069494894113,0.8276420396134604,0.8864539784798849
EOS-2-28578,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)cc1F,JJMBVLUAYXDQDC-UHFFFAOYSA-N,2,1,0.747,91,781,430.418,4.148,5,0.403,0.73,1.0,0.980013364402714,0.9639846480707285,0.8867452539236516,0.862543691316565,0.9233217394284147
EOS-2-28579,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)cn1,SQCMPMMQSUFERC-UHFFFAOYSA-N,2,1,0.513,96,680,430.418,4.825,5,0.398,0.84,1.0,0.5182047152354191,0.6199797820574326,0.922503598108423,0.884903365088068,0.7363978651223357
EOS-2-28580,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nc1F,BQQMDMUKQYOZAQ-UHFFFAOYSA-N,2,1,0.591,11,275,430.418,4.148,5,0.377,0.77,1.0,0.9000496881639367,0.8543537111918306,0.7492546775409499,0.731898087862381,0.8088890411897746
EOS-2-28581,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)nn1,XKUIXKARJCGUON-UHFFFAOYSA-N,2,1,0.513,9,574,430.418,4.825,5,0.398,0.79,1.0,0.5107686244945514,0.6290607223631005,0.9082311013638544,0.8777842505654171,0.7314611746967309
EOS-2-28582,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)cc1F,ALEZNGLHUVMTCF-UHFFFAOYSA-N,2,1,0.731,91,781,430.418,4.148,5,0.403,0.84,1.0,0.9405284079226921,0.9210814885888562,0.8644883832499486,0.8526231923788636,0.8946803680350901
EOS-2-28583,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2)nn1,BKCBZUGYMPUWKI-UHFFFAOYSA-N,2,1,0.554,43,178,430.418,4.414,5,0.411,0.72,1.0,0.895346446439586,0.8748543622781166,0.8687975464327325,0.8436193543965458,0.8706544273867453
EOS-2-28584,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)cn1,IDMUSNACULFWCU-UHFFFAOYSA-N,2,1,0.61,11,111,430.418,4.148,5,0.377,0.74,1.0,0.9632478925364951,0.9578335960523611,0.8616698649852649,0.8398327736275787,0.9056460318004249
EOS-2-28585,Cc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)ccn1,XQDMBIGRWVPOII-UHFFFAOYSA-N,2,1,0.566,97,91,430.418,4.414,5,0.411,0.7,1.0,0.9095504077856212,0.8607189363306148,0.910072990199438,0.8763535741210335,0.8891739771091769
EOS-2-28586,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnc5)nc4)n23)cc1F,ZEEAENXSCRYETP-UHFFFAOYSA-N,2,1,0.692,11,429,430.418,4.148,5,0.403,0.78,1.0,0.9686878897950791,0.956985470495511,0.8475258721129464,0.8317027619765609,0.9012254985950243
EOS-2-28587,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c1,MTHZKEPLOWIILK-UHFFFAOYSA-N,2,1,0.547,84,672,430.418,4.148,5,0.403,0.79,1.0,0.9236172983345898,0.9330409156329244,0.8443561099307793,0.8357206497155781,0.884183743403468
EOS-2-28588,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1,VUDFOYXKMONFRF-UHFFFAOYSA-N,2,1,0.63,11,583,430.418,4.148,5,0.403,0.7,1.0,0.9016774038791036,0.8308289356452607,0.8089404427386745,0.8028236584195737,0.8360676101706531
EOS-2-28589,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)ccn1,BKTJGTMWMUTPLR-UHFFFAOYSA-N,2,1,0.62,35,352,430.418,4.148,5,0.377,0.76,1.0,0.9312247275717909,0.9477160578438764,0.8821105475978342,0.8658933589198822,0.9067361729833459
EOS-2-28590,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c(F)c1,FJNDTXCUJARMOK-UHFFFAOYSA-N,2,1,0.54,11,159,430.418,4.148,5,0.403,0.78,1.0,0.8338701939551778,0.837810979370845,0.7988229045301899,0.7963556301829895,0.8167149270098005
EOS-2-28591,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)cc1F,IUASCCUUDDXFEG-UHFFFAOYSA-N,2,1,0.778,91,781,430.418,4.148,5,0.403,0.68,1.0,0.9626139401000616,0.9720889589472963,0.9062264409567542,0.8903090946473854,0.9328096086628743
EOS-2-28592,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1F,LWAGFAXJGPPCAQ-UHFFFAOYSA-N,2,1,0.767,79,590,430.414,5.441,5,0.359,0.82,1.0,0.989788225618532,0.970007196216846,0.9607891851141115,0.9512713316427935,0.9679639846480708
EOS-2-28593,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c(F)c1,BIFZMGJMETVETE-UHFFFAOYSA-N,2,1,0.633,79,590,430.414,5.441,5,0.359,0.78,1.0,0.9790453018984305,0.9607549174148448,0.9565399904050442,0.9499777259954767,0.961579483928449
EOS-2-28594,OCc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(F)cc5)cc4F)n23)cc1,PWBPRJREKRUIPH-UHFFFAOYSA-N,2,1,0.531,83,163,430.414,5.021,5,0.424,0.86,1.0,0.9593499417449113,0.94986635597286,0.9742563909259132,0.9708124871496128,0.9635712939483243
EOS-2-28595,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccccc5F)n34)cc2)cc1,MEYKPYAGUJUCBK-UHFFFAOYSA-N,2,1,0.649,79,590,430.414,5.441,5,0.359,0.8,1.0,0.9868155027071482,0.9737766431361798,0.9607977520389281,0.9570968405181276,0.9696216846000959
EOS-2-28596,Fc1ccc(Oc2cncc3nnc(-c4ccc(OCc5ccccc5)cc4)n23)cc1F,MHUNMRCSKAZTFW-UHFFFAOYSA-N,2,1,0.74,79,590,430.414,5.441,5,0.359,0.78,1.0,0.9897967925433486,0.9607634843396614,0.9642330888904119,0.9531217874031938,0.966978788294154
EOS-2-28597,Fc1ccc(-c2nnc3cncc(OCc4cccc(Oc5ccccc5)c4)n23)cc1F,XFMFJHHPJVTVAY-UHFFFAOYSA-N,2,1,0.615,79,590,430.414,5.441,5,0.359,0.73,1.0,0.9800219313275307,0.9737852100609965,0.9571996436159276,0.9493095058597766,0.9650790727160579
EOS-2-28598,Fc1cccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)c1F,ZASYJCSNXJVPPM-UHFFFAOYSA-N,2,1,0.57,79,590,430.414,5.441,5,0.359,0.83,1.0,0.9333835926255911,0.9229319443492564,0.9521023233500103,0.9440665478719759,0.9381211020492084
EOS-2-28599,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,FMAKVXVSHRTFGN-UHFFFAOYSA-N,2,1,0.593,79,590,430.414,5.441,5,0.359,0.75,1.0,0.9809128915084642,0.9560516756904941,0.9560602426153109,0.9499862929202934,0.9607527756836406
EOS-2-28600,Oc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1ccccc1,KEJHQRMBSPAKLV-UHFFFAOYSA-N,2,1,0.703,57,650,430.414,5.021,5,0.424,0.76,1.0,0.9839455828935645,0.9374271811390583,0.9613374683023782,0.9558375025700775,0.9596369337262696
EOS-2-28601,Fc1ccc(-c2nnc3cncc(OCc4ccc(Oc5cccc(F)c5)cc4)n23)cc1,OQEDQSSWLZKQAL-UHFFFAOYSA-N,2,1,0.685,79,590,430.414,5.441,5,0.359,0.86,1.0,0.9870896443012817,0.9791652388458639,0.960283736549928,0.9571054074429443,0.9709110067850044
EOS-2-28602,Fc1cccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1F,JOPJHASIUOFLQS-UHFFFAOYSA-N,2,1,0.598,79,590,430.414,5.441,5,0.359,0.76,1.0,0.979396545815914,0.9588102254814612,0.9577222260297443,0.9485898841751764,0.961129720375574
EOS-2-28603,COc1cccc(Oc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)c1,WAWFWSPZEGEZIG-UHFFFAOYSA-N,2,1,0.554,57,480,430.414,5.537,5,0.367,0.81,1.0,0.8953550133644027,0.8661160989651154,0.9665204578164622,0.9519738194777603,0.9199913474059351
EOS-2-28604,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)cc1,JSAOJZGRVWIDCA-UHFFFAOYSA-N,2,1,0.768,57,23,430.414,5.021,5,0.424,0.76,1.0,0.9898053594681653,0.9726029744362964,0.9693561099307793,0.9631622232883285,0.9737316667808923
EOS-2-28605,N=c1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)c[nH]1,JBDIVNFDUYQLLZ-UHFFFAOYSA-N,2,1,0.408,31,194,430.407,1.606,5,0.413,0.66,0.118,0.5032297306558837,0.3511839490096635,0.18675039407854158,0.1671835377972723,0.3020869028853403
EOS-2-28606,CN=c1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cn2)n[nH]1,AYAOTLQJIJGEKZ-UHFFFAOYSA-N,2,1,0.484,55,85,430.407,1.615,5,0.445,0.5,0.753,0.45665992735247757,0.38449215269686793,0.1802737989171407,0.14156843259543556,0.2907485778904805
EOS-2-28607,Cn1cnnc1COc1cncc2nnc(-c3ccc(-c4cncn4CC#N)c(F)c3)n12,BFNYPCFEYPGNEG-UHFFFAOYSA-N,2,1,0.43,36,404,430.407,2.025,5,0.401,0.63,1.0,0.5132016311424851,0.502373038174217,0.2903159481872387,0.2857754780344048,0.39791652388458637
EOS-2-28608,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1cnc(C#N)[nH]1,HMOABFNKTHJNFE-UHFFFAOYSA-N,2,1,0.443,31,569,430.407,1.942,5,0.432,0.57,0.908,0.4105099033650881,0.2556456034541841,0.29389692276060586,0.2738331848399698,0.30847140360496195
EOS-2-28609,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4ccncc4F)n23)nn1,CSKCMHLRFYRDMM-UHFFFAOYSA-N,2,1,0.402,54,411,430.403,2.765,5,0.401,0.68,0.721,0.6604156671921048,0.5157888424371188,0.36040196011239806,0.28291412514563774,0.4548801487218148
EOS-2-28610,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)cn4)n23)cc1F,LDPZTBPNQBDXRR-UHFFFAOYSA-N,2,1,0.478,4,212,430.403,2.249,5,0.432,0.64,1.0,0.7394027140017819,0.6538191350832705,0.49383181413199917,0.4436296347063258,0.5826708244808444
EOS-2-28611,COC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnn(C)c5)cc4F)n23)cn1,BRLBZEQYUXNPJD-UHFFFAOYSA-N,2,1,0.349,82,974,430.403,2.575,5,0.4,0.71,1.0,0.18868651908710848,0.27119457199643615,0.31212733877047494,0.21528682064286203,0.24682381262422037
EOS-2-28612,COc1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)ncc1F,MQWSSXGMTRWLPC-UHFFFAOYSA-N,2,1,0.444,24,786,430.403,2.765,5,0.401,0.71,1.0,0.7746127749982866,0.707396682886711,0.2005517099581934,0.1415769995202522,0.45603454184086084
EOS-2-28613,OCc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cn2)cn1,RCRRUAAJCFKYRW-UHFFFAOYSA-N,2,1,0.506,55,283,430.403,2.249,5,0.404,0.64,1.0,0.6221215132615996,0.6009269412651634,0.4486498526488932,0.3679494208758824,0.5099119320128846
EOS-2-28614,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)cn1,WZRMKRCDLCBGIN-UHFFFAOYSA-N,2,1,0.466,55,879,430.403,2.765,5,0.401,0.74,1.0,0.7689757384689192,0.6009355081899801,0.41553012130765543,0.2978462751010897,0.5208219107669111
EOS-2-28615,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncnc5)n34)cc2F)cn1,RNTVNQKYNFDSOG-UHFFFAOYSA-N,2,1,0.512,16,817,430.403,2.765,5,0.401,0.72,1.0,0.9140823110136386,0.7120999246110616,0.5042663285587006,0.3807055719279008,0.6277885340278254
EOS-2-28616,OCc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c2)cn1,GTRCCYBDPDACDD-UHFFFAOYSA-N,2,1,0.384,18,181,430.403,2.249,5,0.404,0.63,1.0,0.4882890137756151,0.44011719553149203,0.45924713864711125,0.38071413885271743,0.4420918717017339
EOS-2-28617,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1F,HFNTZTVUDQQRGT-UHFFFAOYSA-N,2,1,0.462,7,817,430.403,2.249,5,0.432,0.64,1.0,0.7571876499211843,0.682792474813241,0.5815828250291275,0.4992632444657666,0.6302065485573298
EOS-2-28618,COc1ncc(-c2ccnc(COc3cncc4nnc(-c5ccccc5F)n34)n2)cn1,PXMFTBMJLADJIK-UHFFFAOYSA-N,2,1,0.494,51,335,430.403,2.765,5,0.401,0.71,1.0,0.6788859570968405,0.6486104447947365,0.2608799945171681,0.20022616681516003,0.4471506408059762
EOS-2-28619,OCc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)cn1,NWTXDGSBEQWYSJ-UHFFFAOYSA-N,2,1,0.385,18,181,430.403,2.249,5,0.432,0.63,0.999,0.5570642862038243,0.45333596052361047,0.46996436159276267,0.4024826948118703,0.4707118257830169
EOS-2-28620,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)cc1=O,IVEAEDUKPUAXCU-UHFFFAOYSA-N,2,1,0.446,55,600,430.403,2.06,5,0.416,0.71,1.0,0.5313720786786376,0.41320848468233845,0.3868480570214516,0.3484082653690631,0.4199592214378727
EOS-2-28621,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cc1,AELIPIHJHMHEAT-UHFFFAOYSA-N,2,1,0.511,73,156,430.403,2.249,5,0.432,0.7,1.0,0.760134672058118,0.6538277020080872,0.36421424165581523,0.3289613460352272,0.526784490439312
EOS-2-28622,COc1nc(-c2nnc3cncc(Oc4ccc(C)nc4)n23)ccc1-c1ncc(F)cn1,KIJQGHLQXVBUSP-UHFFFAOYSA-N,2,1,0.383,49,896,430.403,3.287,5,0.414,0.68,1.0,0.7888852717428552,0.5764512370639435,0.25010280309780003,0.16203481598245495,0.4443685319717634
EOS-2-28623,COc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccnc5F)c4)n23)cn1,UJTQYTGCFCACBY-UHFFFAOYSA-N,2,1,0.415,55,875,430.403,2.765,5,0.375,0.68,1.0,0.7274689877321636,0.6290692892879172,0.44865841957370983,0.3258429854019601,0.5327599204989376
EOS-2-28624,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)cn4)n23)c(F)c1,RZEJYTFBLSWQRU-UHFFFAOYSA-N,2,1,0.441,4,212,430.403,2.249,5,0.432,0.55,1.0,0.6697364813926393,0.692618737577959,0.4764752244534302,0.4281749023370571,0.5667513364402714
EOS-2-28625,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1cncnc1,IIZHEIXIDYPOTH-UHFFFAOYSA-N,2,1,0.404,46,62,430.403,2.765,5,0.401,0.72,0.992,0.7571962168460009,0.5205177849359194,0.4342659858817079,0.3323881159618943,0.5110920259063807
EOS-2-28626,OCc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)cn1,UQPFDVFFXDWXCL-UHFFFAOYSA-N,2,1,0.456,55,282,430.403,2.249,5,0.432,0.71,1.0,0.7028647796586938,0.6199883489822493,0.43029093276677405,0.3709821122609828,0.531031543417175
EOS-2-28627,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)ccc1=O,HPCJNNPLCLBWTD-UHFFFAOYSA-N,2,1,0.451,55,283,430.403,2.06,5,0.416,0.74,0.988,0.557072853128641,0.4132170516071551,0.3121359056952916,0.28578404495922144,0.39205246384757725
EOS-2-28628,COc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(F)n5)cn4)n23)cn1,KKFSSAQNQJQVFF-UHFFFAOYSA-N,2,1,0.446,55,786,430.403,2.765,5,0.375,0.67,1.0,0.5910235761770954,0.6154992803783154,0.34146048934274553,0.24121033513809884,0.44729842025906374
EOS-2-28629,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5ncccc5F)n34)ccn2)cn1,MIUCDZCIMAGVDH-UHFFFAOYSA-N,2,1,0.506,75,441,430.403,2.249,5,0.432,0.7,1.0,0.6420910150092523,0.5526694537728737,0.35302583784524705,0.31052532382975806,0.4645779076142828
EOS-2-28630,COc1ncc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)cn4)n23)cc1F,BJUPGZUBLPMTLR-UHFFFAOYSA-N,2,1,0.529,2,85,430.403,2.765,5,0.401,0.65,1.0,0.6194486327187992,0.615507847303132,0.39797649235830307,0.27690014392433693,0.4774582790761428
EOS-2-28631,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cn2)cn1,XAPUHYKFQNJPNB-UHFFFAOYSA-N,2,1,0.506,55,903,430.403,2.765,5,0.401,0.76,1.0,0.6221300801864162,0.6155164142279488,0.36786375162771573,0.25892673565896784,0.4661092454252621
EOS-2-28632,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cn2)ccc1=O,DJLNXDGVCDORQE-UHFFFAOYSA-N,2,1,0.452,4,786,430.403,2.06,5,0.39,0.57,0.989,0.4219124802960729,0.3941299431156192,0.24645329312589953,0.2234682338427798,0.32149098759509287
EOS-2-28633,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)ccc1=O,WRXMCCIHTZWGBF-UHFFFAOYSA-N,2,1,0.44,55,283,430.403,2.06,5,0.416,0.68,0.91,0.554468507984374,0.4312418614214242,0.33783668014529505,0.3042115002398739,0.4069396374477418
EOS-2-28634,COc1nncnc1COc1cncc2nnc(-c3ccc(-c4ccccc4F)nc3)n12,SSDBLFTWQCBEOL-UHFFFAOYSA-N,2,1,0.426,4,32,430.403,2.765,5,0.401,0.67,1.0,0.718250976629429,0.5962922349393461,0.26428106366938525,0.2651720238503187,0.46099907477211977
EOS-2-28635,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)nn5)n4)n23)cc1,OXHVWPXPMQHWIW-UHFFFAOYSA-N,2,1,0.516,89,731,430.403,2.249,5,0.432,0.63,1.0,0.7213693372626961,0.5666935096977589,0.43427455280652455,0.38701082859296826,0.527337057089987
EOS-2-28636,OCc1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5cncnc5)n4)n23)cc1,NJVWTCRGWJNTMD-UHFFFAOYSA-N,2,1,0.5,7,817,430.403,2.249,5,0.432,0.66,1.0,0.7888938386676718,0.6434445891302858,0.4559060379686108,0.39332465218285245,0.5703922794873553
EOS-2-28637,COc1ncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)cn1,VZGKPKGASFHUBX-UHFFFAOYSA-N,2,1,0.404,55,959,430.403,2.765,5,0.375,0.67,1.0,0.7182595435542458,0.4883746830237818,0.39045473236926875,0.27987286683572066,0.4692404564457543
EOS-2-28638,O=c1ccc(Oc2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2)c[nH]1,PRQLCYHLKKDHBP-UHFFFAOYSA-N,2,1,0.522,1,881,430.399,3.385,5,0.412,0.75,1.0,0.715106915221712,0.5710883421287095,0.7032674251250771,0.632864436981701,0.6555817798643
EOS-2-28639,Oc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(O)c4)n23)c(F)c1,XDKBHZUJVNQGMO-UHFFFAOYSA-N,2,1,0.478,97,521,430.399,3.378,5,0.436,0.56,0.987,0.9079740936193544,0.7398995956411486,0.7964498663559728,0.7185336851483791,0.7907143101912137
EOS-2-28641,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc([N+](=O)[O-])cc5)n34)n2)o1,AYKMJRUQALCDCX-UHFFFAOYSA-N,2,1,0.545,4,268,430.384,3.032,5,0.291,0.71,0.999,0.5416609553834556,0.16971934754300597,0.10262319237886368,0.02517819203618669,0.20979542183537797
EOS-2-28642,N#Cc1ccccc1-n1cnc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)n1,COODGFLMUHHQIA-UHFFFAOYSA-N,2,1,0.533,34,612,430.378,3.101,5,0.422,0.68,1.0,0.4588016585566445,0.5869457199643616,0.6792286340895072,0.7212665341648962,0.6115606366938524
EOS-2-28643,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C#N)cc4F)n23)c(F)c1,GTKLXWSDCYDOEU-UHFFFAOYSA-N,2,1,0.455,13,252,430.378,3.529,5,0.429,0.81,1.0,0.6788945240216572,0.7615139469536015,0.8296809677198272,0.8178329106983757,0.7719805873483654
EOS-2-28644,N#Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccccc4OC(F)F)n23)cn1,XMUJUOOJCISHDB-UHFFFAOYSA-N,2,1,0.374,96,121,430.378,3.512,5,0.42,0.67,0.99,0.062470015763141665,0.30709855390309093,0.8009817695839901,0.7824515112055377,0.4882504626139401
EOS-2-28645,N#Cc1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(F)c(F)c5)nn4)n23)cc1,GFFBZDBUSMNSDJ-UHFFFAOYSA-N,2,1,0.629,43,612,430.378,3.101,5,0.422,0.69,1.0,0.48324309505859775,0.6486190117195532,0.8183383592625592,0.827650606538277,0.6944627681447468
EOS-2-28646,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)cc5F)no4)n23)cc1,FUMMLGVNFNZJAR-UHFFFAOYSA-N,2,1,0.58,43,798,430.374,4.175,5,0.412,0.75,1.0,0.9619542868891783,0.9265386196970735,0.9167123569323555,0.9113837296963881,0.9291472483037488
EOS-2-28647,Fc1ccc(OC(F)F)cc1-c1nnc2cncc(-c3nnc(-c4ccco4)s3)n12,RYGVCEQSEDMCMS-UHFFFAOYSA-N,2,1,0.389,22,121,430.371,4.31,5,0.41,0.69,0.982,0.48079295456103077,0.7166146939894456,0.7392313755054486,0.7729679254334864,0.6774017373723528
EOS-2-28648,N#Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5nnccc5F)n34)on2)n1,YINBGCKFPDGCDG-UHFFFAOYSA-N,2,1,0.43,65,779,430.363,1.659,5,0.386,0.61,1.0,0.5313806456034542,0.4979525049688164,0.12219004866013296,0.15671475567130422,0.32705948872592694
EOS-2-28649,Clc1ccc(-c2nnc3cncc(-c4csc(-c5ccsc5)n4)n23)c(Cl)c1,LFLUXFQBQSEQKH-UHFFFAOYSA-N,2,1,0.405,45,140,430.345,5.95,5,0.355,0.81,1.0,0.20246213419231032,0.4533445274484271,0.7344167637584813,0.8749914330751833,0.5663037146186005
EOS-2-28650,FC(F)(F)c1noc(-c2ccc(-c3nnc4cncc(OCc5ncon5)n34)cc2)n1,KNFQKMOXLGDOCG-UHFFFAOYSA-N,2,1,0.488,51,19,430.306,2.822,5,0.41,0.71,1.0,0.6818672469330409,0.6056130491398808,0.49726715098348295,0.3166935096977589,0.5253602391885409
EOS-2-28651,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)nc5)cn4)n23)c(Cl)c1,DQLXIWGRUDCESV-UHFFFAOYSA-N,2,1,0.488,13,417,469.719,6.001,5,0.3,0.77,1.0,0.6789030909464738,0.9192481666780893,0.9375385511616751,0.9626225070248784,0.8745780789527791
EOS-2-28652,Clc1ccc(Oc2nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cnc2Cl)cc1,ZFLQWVKTUYEPRC-UHFFFAOYSA-N,2,1,0.476,45,533,469.719,6.001,5,0.321,0.79,1.0,0.5851723665273113,0.8748629292029333,0.8755225824138168,0.9399972585840587,0.81888878418203
EOS-2-28653,Clc1ccc(Oc2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)cn4)n23)c(Cl)c1,VXDIVSWMEPDUJU-UHFFFAOYSA-N,2,1,0.396,13,145,469.719,6.001,5,0.3,0.79,1.0,0.6053988760194641,0.7166232609142622,0.9072716057843876,0.94999485984511,0.794822150640806
EOS-2-28654,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c1,IQPISIPVZXMDEJ-UHFFFAOYSA-N,2,1,0.413,13,110,469.719,6.001,5,0.3,0.81,1.0,0.5711226098279761,0.7121084915358783,0.9348913713933247,0.9648927421012953,0.7957538037146187
EOS-2-28655,O=[N+]([O-])c1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,VMFNCZBXOZFYEF-UHFFFAOYSA-N,2,1,0.737,48,906,430.251,4.628,4,0.327,0.77,1.0,0.9728257144815297,0.9210900555136728,0.6738143376053731,0.6297803440477007,0.7993776129120691
EOS-2-28656,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3cn(C)nc3-c3cc(Cl)ccc3Cl)n12,BPAIFJXGQKULRB-UHFFFAOYSA-N,2,1,0.372,45,46,469.763,6.127,5,0.319,0.75,1.0,0.1468456582825029,0.41322561853197176,0.9100815571242546,0.9571139743677609,0.6068167020766225
EOS-2-28657,Fc1cc(COc2cncc3nnc(-c4cnc(-c5cncnc5)c(F)c4F)n23)ccc1Cl,CMZGFGOJSITLCJ-UHFFFAOYSA-N,2,1,0.62,59,577,469.814,4.293,5,0.379,0.61,1.0,0.922143787266123,0.9134226578027551,0.9341460489342746,0.9400058255088753,0.927429579878007
EOS-2-28658,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)c(F)c1F,QBIMHHPEAGDOLQ-UHFFFAOYSA-N,2,1,0.451,59,511,469.814,4.293,5,0.28,0.66,1.0,0.7425896100335824,0.7663199917757522,0.9395946131176752,0.944863271879926,0.8483418717017339
EOS-2-28659,Fc1ccc(Cl)cc1-c1cnnc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,RAXYHBJUFVXSAA-UHFFFAOYSA-N,2,1,0.494,45,121,469.814,4.704,5,0.368,0.71,0.999,0.6026488931533137,0.9229405112740731,0.9348999383181413,0.9538499760126106,0.8535848296895346
EOS-2-28660,FC(F)(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1,VUOPQJANJVRUBS-UHFFFAOYSA-N,2,1,0.542,72,138,469.814,5.108,5,0.361,0.74,0.996,0.9533273935987938,0.9509029538756768,0.9760211774381468,0.9565314234802276,0.9591957370982112
EOS-2-28661,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)cc1F,QRNSABHGSPHYKR-UHFFFAOYSA-N,2,1,0.415,59,526,469.814,4.293,5,0.379,0.7,1.0,0.6110359125488315,0.7211208964430128,0.9072801727092044,0.9322013570008909,0.792909584675485
EOS-2-28662,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5cc(F)c(Cl)c(F)c5)n34)n2)cn1,DUACTLFCWNWLJL-UHFFFAOYSA-N,2,1,0.466,59,756,469.814,4.293,5,0.28,0.64,1.0,0.8934531560551024,0.9569940374203276,0.8984476732232198,0.904555890617504,0.9133626893290384
EOS-2-28663,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)c(F)c5)nc4)n23)cc1F,OYGIMDRJJRXDIL-UHFFFAOYSA-N,2,1,0.478,73,469,469.814,4.293,5,0.354,0.67,0.999,0.7917209238571722,0.917294907819889,0.9204304023027894,0.9200705914604893,0.8873792063600849
EOS-2-28664,Fc1cc(-c2cnncc2COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc(F)n1,AYZHEXFONSOPBB-UHFFFAOYSA-N,2,1,0.561,59,391,469.814,4.293,5,0.354,0.65,1.0,0.9541241176067439,0.9678740319374958,0.9478359947913098,0.9500034267699267,0.954959392776369
EOS-2-28665,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2F)nc1,JSAPZNHZAJRJMV-UHFFFAOYSA-N,2,1,0.455,73,379,469.814,4.293,5,0.354,0.72,1.0,0.9288259886231238,0.9298111849770406,0.8570094578849976,0.8834127201699677,0.8997648379137824
EOS-2-28666,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)nn4)n23)c(F)c1F,QPZCMTLPTRXZHK-UHFFFAOYSA-N,2,1,0.446,34,820,469.814,4.293,5,0.28,0.7,1.0,0.8186553354807758,0.9155044205332054,0.9110581865533548,0.9158385306010555,0.8902641182920978
EOS-2-28667,Fc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5cnc(Cl)c(F)c5)c4)n23)n1,FHDAFXUKDMAXNR-UHFFFAOYSA-N,2,1,0.467,59,577,469.814,4.293,5,0.354,0.73,0.999,0.7274775546569804,0.8855373175245014,0.8936587622507025,0.8998269481187033,0.851625145637722
EOS-2-28668,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)ncc2F)cn1,XPHVOLRDCUDXOO-UHFFFAOYSA-N,2,1,0.506,73,446,469.814,4.293,5,0.354,0.65,1.0,0.8435336851483791,0.9570026043451443,0.8411520800493455,0.8777928174902337,0.8798702967582757
EOS-2-28669,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c(Cl)c1F,DWSFNFMBTASVRW-UHFFFAOYSA-N,2,1,0.422,54,445,469.814,4.293,5,0.28,0.7,0.997,0.8135066136659584,0.8195462956617092,0.9110667534781715,0.9190511274073059,0.8657926975532861
EOS-2-28670,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(Cl)nn5)n4)n23)c(F)c1,BKRXMGGIBPULEV-UHFFFAOYSA-N,2,1,0.5,34,146,469.814,4.293,5,0.379,0.67,0.999,0.8213453498732095,0.9265471866218902,0.8427283942156124,0.8806284696045508,0.8678123500788157
EOS-2-28671,Fc1ccc(F)c(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)c1,NYKMRGPGBOIWCW-UHFFFAOYSA-N,2,1,0.512,34,146,469.814,4.293,5,0.379,0.61,1.0,0.8548505928311974,0.9570111712699609,0.8659533273935988,0.9179202933315057,0.8989338462065657
EOS-2-28672,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(Cl)c(F)cn5)n4)n23)c(F)c1,GXPVJYKLSMXREE-UHFFFAOYSA-N,2,1,0.506,73,877,469.814,4.293,5,0.379,0.67,1.0,0.8213539167980262,0.9027140017819204,0.8900263861284353,0.9146819957508053,0.8821940751147967
EOS-2-28673,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4cnc(F)c(F)c4)cn3)n12,GOZPMKGEFIWQOQ-UHFFFAOYSA-N,2,1,0.512,73,969,469.814,4.293,5,0.354,0.68,1.0,0.8766534164896169,0.9578421629771777,0.9040761428277705,0.914690562675622,0.9133155712425467
EOS-2-28674,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)c2)cc1F,PGULTKVDEKYIIJ-UHFFFAOYSA-N,2,1,0.435,59,469,469.814,4.293,5,0.379,0.68,1.0,0.5820797066684943,0.735093550818998,0.9310276883010075,0.9456599958878761,0.798465235419094
EOS-2-28675,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5cc(Cl)c(F)cc5F)n34)n2)nc1,QKXVKBGJOLITTA-UHFFFAOYSA-N,2,1,0.424,59,756,469.814,4.293,5,0.354,0.64,1.0,0.8660475635665822,0.9173034747447056,0.8616784319100815,0.8863426084572682,0.8828430196696594
EOS-2-28676,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)c(F)c4)n23)c(F)c1,CLYLYYVLEFURBY-UHFFFAOYSA-N,2,1,0.518,73,526,469.814,4.293,5,0.354,0.63,1.0,0.9261102734562402,0.9248081008841066,0.9119834144335549,0.9158470975258721,0.9196872215749434
EOS-2-28677,Fc1ccc(-c2nnc3cncc(-c4cnnc(OCc5ccc(Cl)c(F)c5)n4)n23)c(F)c1,JNLAYRCHZTWTCL-UHFFFAOYSA-N,2,1,0.488,45,730,469.814,4.293,5,0.379,0.75,0.996,0.7245133986704133,0.8635631553697485,0.907288739634021,0.9306079089849908,0.8564933006647935
EOS-2-28678,Fc1cc(-c2nnc3cncc(OCc4nnccc4-c4ccc(F)c(F)n4)n23)ccc1Cl,OJRLZGJKKNWPGE-UHFFFAOYSA-N,2,1,0.506,34,391,469.814,4.293,5,0.354,0.6,1.0,0.8880302926461517,0.967120142553629,0.8949695017476527,0.9124631622232884,0.9156457747926804
EOS-2-28679,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(Cl)c5)n4)n23)c(F)c1F,FQVZOTMZMIJQKB-UHFFFAOYSA-N,2,1,0.421,73,401,469.814,4.293,5,0.28,0.67,1.0,0.771922760605853,0.9095161400863546,0.9148104996230553,0.9190596943321225,0.8788272736618463
EOS-2-28680,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1noc(CO)n1,ADDXSSKEWIMAMD-UHFFFAOYSA-N,2,1,0.402,13,971,469.82,3.322,5,0.394,0.68,0.999,0.5880851209649784,0.6155249811527654,0.32689671715441027,0.33567781509149475,0.4665461585909122
EOS-2-28681,FC(F)Oc1ccc(-c2nnc3cncc(OCc4coc(-c5ccc(Cl)cc5)n4)n23)cc1,PWGHIBJZXLYOTQ-UHFFFAOYSA-N,2,1,0.675,1,640,469.835,5.28,5,0.32,0.84,1.0,0.927403879103557,0.9417192104722089,0.9317901446096909,0.920079158385306,0.9302480981426907
EOS-2-28682,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,LQJNUXWYLMKMJY-UHFFFAOYSA-N,2,1,0.859,43,996,469.839,4.206,5,0.352,0.81,1.0,0.20817627304502775,0.6056216160646974,0.8631091083544651,0.8691316565005826,0.6365096634911932
EOS-2-28683,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncnn4-c4ccc(Cl)cc4)n23)cc1,JFCZKKSFKPLQEN-UHFFFAOYSA-N,2,1,0.646,34,996,469.839,4.206,5,0.352,0.73,1.0,0.6510691522171201,0.7787848673840039,0.8240610650400932,0.837836680145295,0.7729379411966281
EOS-2-28684,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,LNGYNIWEYRXANR-UHFFFAOYSA-N,2,1,0.654,43,996,469.839,4.206,5,0.352,0.72,1.0,0.3542680419436639,0.7166318278390789,0.8330734699472278,0.8398413405523953,0.6859536700705915
EOS-2-28685,FC(F)Oc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4nc[nH]n4)c3)n12,VPZKOVROABBXSN-UHFFFAOYSA-N,2,1,0.543,43,521,469.839,4.41,5,0.376,0.72,1.0,0.8953635802892194,0.8909430470838188,0.9062350078815709,0.8875933794805017,0.8950337536837777
EOS-2-28686,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4F)n23)ccc1-c1nccn1C,CREFFHBWZHDBEW-UHFFFAOYSA-N,2,1,0.411,13,551,469.839,4.319,5,0.354,0.64,0.998,0.6248971969022,0.5817284627510109,0.7134020971831951,0.6530481118497704,0.6432689671715441
EOS-2-28687,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)nc2F)no1,YAMCWXDNZCBVEX-UHFFFAOYSA-N,2,1,0.489,84,752,469.839,4.098,5,0.342,0.63,1.0,0.7151154821465286,0.6778750599684737,0.5489000068535399,0.6028544993489137,0.636186262079364
EOS-2-28688,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnn(-c5cccc(Cl)c5)n4)n23)cc1,CNGDUXDBOHHUBS-UHFFFAOYSA-N,2,1,0.615,43,996,469.839,4.206,5,0.352,0.74,1.0,0.347483037488863,0.7074052498115276,0.8222191762045097,0.8317113289013776,0.6772046981015695
EOS-2-28689,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)nc2F)no1,APPYMQRBYMHQIV-UHFFFAOYSA-N,2,1,0.473,84,442,469.839,4.098,5,0.342,0.62,1.0,0.7091100678500446,0.6974590500993764,0.5287163319854705,0.5942019052840792,0.6323718388047427
EOS-2-28690,FC(F)Oc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cn3)n12,BFPFSIQBYCQJAA-UHFFFAOYSA-N,2,1,0.527,27,547,469.839,4.206,5,0.352,0.68,1.0,0.412625933794805,0.6681258995271058,0.8755311493386334,0.8472431635939963,0.7008815365636352
EOS-2-28691,FC(F)Oc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)n[nH]2)cc1,NYBYIEBTBZKXLV-UHFFFAOYSA-N,2,1,0.543,1,996,469.839,4.41,5,0.352,0.71,1.0,0.5264460969090535,0.5667020766225755,0.8767476526626002,0.8707079706668495,0.7101509492152697
EOS-2-28692,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)cn4)n23)cc1,LZXOMXGBJPZHKX-UHFFFAOYSA-N,2,1,0.709,27,996,469.839,4.206,5,0.352,0.74,1.0,0.4759183743403468,0.7026848742375437,0.8807312727023507,0.8541738057706806,0.7283770817627305
EOS-2-28693,COc1cc(-c2nncn2C)cc(F)c1Oc1cncc2nnc(-c3ccc(Cl)cc3F)n12,UKSCAXJVCSAINQ-UHFFFAOYSA-N,2,1,0.483,13,252,469.839,4.319,5,0.378,0.69,1.0,0.7542406277842506,0.8607275032554315,0.7988314714550065,0.7707148242067028,0.7961286066753478
EOS-2-28694,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)nc2Cl)o1,NLANYFMMMZGBFL-UHFFFAOYSA-N,2,1,0.5,19,442,469.839,4.098,5,0.342,0.73,1.0,0.7306130491398808,0.7074138167363443,0.5815913919539442,0.6297889109725173,0.6623517922006716
EOS-2-28695,FC(F)c1coc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)n1,RQJGXKJCAMNLBE-UHFFFAOYSA-N,2,1,0.523,75,583,469.839,4.449,5,0.322,0.59,1.0,0.8481341237749298,0.7615225138784182,0.7290795695976973,0.667423411692139,0.7515399047357961
EOS-2-28696,Cn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,WRDYBSIPABKQEG-UHFFFAOYSA-N,2,1,0.575,72,996,469.839,4.634,5,0.335,0.8,1.0,0.6758789664861902,0.8635717222945651,0.8807398396271674,0.845444109382496,0.8164086594476047
EOS-2-28697,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)ccc2F)o1,JZDGCBANXPMIAW-UHFFFAOYSA-N,2,1,0.545,37,125,469.839,4.098,5,0.342,0.68,1.0,0.942464532931259,0.8960489342745528,0.6399749845795353,0.670387567678706,0.7872190048660133
EOS-2-28698,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)nc2F)o1,UAIIIIOLCHLDKJ-UHFFFAOYSA-N,2,1,0.468,19,442,469.839,4.098,5,0.342,0.61,1.0,0.7662086217531355,0.7211294633678295,0.5848553903090946,0.6360513330135015,0.6770612021108903
EOS-2-28699,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)cc1F,KMUYKCOFCAAYGC-UHFFFAOYSA-N,2,1,0.5,37,563,469.843,2.93,5,0.373,0.7,1.0,0.8084692618737578,0.8079552463847577,0.38685662394626824,0.49927181139058324,0.6256382358988418
EOS-2-28700,Cc1nc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)c4)nc3)n12,AAPLRQQDMIGRBO-UHFFFAOYSA-N,2,1,0.423,92,468,469.843,3.776,5,0.369,0.65,1.0,0.44968645055170997,0.5916403947638955,0.515086354602152,0.4596326502638613,0.5040114625454047
EOS-2-28701,FC(F)Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cn1,WFFKJPCVPMEXCO-UHFFFAOYSA-N,2,1,0.394,51,196,469.843,3.337,5,0.357,0.7,1.0,0.4931807278459324,0.5386882324720719,0.5008052909327668,0.4870382427523816,0.5049281235007881
EOS-2-28702,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)cc1Cl,AXTDKFLVNGQINC-UHFFFAOYSA-N,2,1,0.495,36,610,469.843,3.547,5,0.371,0.65,1.0,0.4682852443286958,0.6681344664519224,0.4803046398464807,0.44045987252415875,0.5142960557878145
EOS-2-28703,FC(F)n1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)c1,SPEUZTOUGYIQNV-UHFFFAOYSA-N,2,1,0.455,20,279,469.843,3.51,5,0.356,0.63,0.921,0.6194571996436159,0.7166403947638955,0.5815999588787609,0.562744157357275,0.6201104276608869
EOS-2-28704,Cc1nnc(-c2cc(F)c(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)n1C,GEXIZBLMRNXWSL-UHFFFAOYSA-N,2,1,0.446,51,196,469.843,3.196,5,0.386,0.63,1.0,0.5082328147488178,0.6340638064560346,0.304879720375574,0.3743746144883833,0.4553877390172024
EOS-2-28705,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5c(F)ccnc5Cl)n34)nc2F)n1,BMKHFZVJEDFBBH-UHFFFAOYSA-N,2,1,0.42,31,773,469.843,3.228,5,0.376,0.53,0.997,0.7515506133918168,0.7531868960318004,0.39417277773970255,0.45007196216846,0.587245562332945
EOS-2-28706,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cc1F,GFRXVBJHBHEMEV-UHFFFAOYSA-N,2,1,0.489,37,79,469.843,2.93,5,0.349,0.65,1.0,0.669745048317456,0.6778836268932904,0.4013432938112535,0.4720803920224796,0.5552630902611199
EOS-2-28707,FC(F)c1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)n1,GBVDJWFXGDBEEB-UHFFFAOYSA-N,2,1,0.51,65,981,469.843,3.579,5,0.384,0.72,0.997,0.8338787608799945,0.8543622781166472,0.47648379137824687,0.4720889589472963,0.6592034473305461
EOS-2-28708,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nc2F)nn1,CFNFAWNBPFBKKS-UHFFFAOYSA-N,2,1,0.424,31,773,469.843,2.93,5,0.349,0.6,0.997,0.5209289973271195,0.5251524912617367,0.4699729285175793,0.4992803783153999,0.5038336988554588
EOS-2-28709,FC(F)n1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)nn1,JQNXKGGRPCYIKA-UHFFFAOYSA-N,2,1,0.439,53,411,469.843,3.51,5,0.356,0.48,0.695,0.5683554931121925,0.5341820300185045,0.5784730313206772,0.5970289904735796,0.5695098862312384
EOS-2-28710,FC(F)Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cnn2)cn1,ASWMEVWPHFLZIV-UHFFFAOYSA-N,2,1,0.402,92,182,469.843,3.337,5,0.334,0.5,1.0,0.4017202385031869,0.47507881570831334,0.6628486738400384,0.6503837982317867,0.5475078815708313
EOS-2-28711,Cn1nnc(-c2cc(F)c(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)n1,XFISGMOXDGIKMC-UHFFFAOYSA-N,2,1,0.529,37,563,469.843,2.93,5,0.373,0.59,1.0,0.7363443218422315,0.7166489616887122,0.4231975190185731,0.5063052566650675,0.5956240148036461
EOS-2-28712,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cc2F)n1,YFHQSPOOFHPKQU-UHFFFAOYSA-N,2,1,0.516,37,563,469.843,2.93,5,0.349,0.67,1.0,0.7662171886779522,0.8117075594544583,0.4155386882324721,0.48704680967719827,0.6201275615105202
EOS-2-28713,Cc1c(F)cncc1COc1cncc2nnc(-c3cc(Cl)c(-c4nnnn4C)cc3F)n12,ALMUVBCJNAOOJA-UHFFFAOYSA-N,2,1,0.477,73,728,469.843,3.196,5,0.386,0.65,1.0,0.5442395997532725,0.6434531560551024,0.5489085737783566,0.6000188472345966,0.584155044205332
EOS-2-28714,FCCn1nncc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)c(F)c1,JZXKTBHGQOMBQI-UHFFFAOYSA-N,2,1,0.398,36,79,469.843,3.181,5,0.334,0.67,1.0,0.46829381125351244,0.5296158590912207,0.2792731820985539,0.3807227057775341,0.41447638955520527
EOS-2-28715,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)nc1F,IMHQFDSFJCMAPB-UHFFFAOYSA-N,2,1,0.384,31,814,469.843,2.93,5,0.276,0.58,1.0,0.6420995819340689,0.5764598039887602,0.3378452470701117,0.3836782948392845,0.48502073195805634
EOS-2-28716,Cn1nc(-c2cccc(Cl)n2)nc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,NJNVCXKLCFDCCP-UHFFFAOYSA-N,2,1,0.442,27,69,469.843,3.547,5,0.347,0.7,0.906,0.505748406551984,0.6681430333767391,0.3269052840792269,0.36474539099444864,0.46638552875059963
EOS-2-28717,Cn1nc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)cn2)cc1Cl,QAPUAWGUBKFLCN-UHFFFAOYSA-N,2,1,0.44,7,128,469.843,3.547,5,0.371,0.65,1.0,0.4566684942772942,0.5386967993968885,0.587990884791995,0.5627527242820917,0.5365272256870673
EOS-2-28718,FC(F)n1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)c1,JTZFIFHXAKVNMZ-UHFFFAOYSA-N,2,1,0.469,58,779,469.843,3.51,5,0.356,0.68,0.839,0.5792868891782605,0.697467617024193,0.57556027688301,0.5627612912069083,0.6037690185730931
EOS-2-28719,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)nc2F)n1,XFLCFTCPVZZGRC-UHFFFAOYSA-N,2,1,0.388,31,773,469.843,2.93,5,0.276,0.61,1.0,0.5416695223082723,0.5387053663217052,0.3011531080803235,0.34510999931464603,0.4316594990062368
EOS-2-28720,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)cc2F)n1,LLKSPDRJCJBYHL-UHFFFAOYSA-N,2,1,0.495,37,795,469.843,2.93,5,0.349,0.71,1.0,0.8108937015968748,0.7615310808032348,0.3904632992940854,0.4436382016311425,0.6016315708313343
EOS-2-28721,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cn2)cn1,VISXZRVSGZZMDW-UHFFFAOYSA-N,2,1,0.449,65,468,469.843,3.51,5,0.333,0.68,1.0,0.4707782194503461,0.6582910698375711,0.5008138578575835,0.48103282845589745,0.5277289939003496
EOS-2-28722,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)nc2F)n1,WJMBIXKOGKEWHG-UHFFFAOYSA-N,2,1,0.484,37,442,469.843,2.93,5,0.349,0.63,1.0,0.6221386471112329,0.6778921938181071,0.3979850592831197,0.49006236721266533,0.5470195668562813
EOS-2-28723,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cn1,HWAIWXCNVGRKMY-UHFFFAOYSA-N,2,1,0.459,20,468,469.843,3.51,5,0.356,0.66,1.0,0.4610633267082448,0.6486275786443698,0.5557706805565075,0.5229079569597698,0.547092385717223
EOS-2-28724,Clc1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cn2)cnn1,YFKFTBPGTNFURP-UHFFFAOYSA-N,2,1,0.368,40,622,469.852,4.139,6,0.363,0.73,1.0,0.5683640600370091,0.6155335480775821,0.445120279624426,0.42480810088410664,0.5134564971557809
EOS-2-28725,Cn1c(Cl)ccc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,XALLKDDHJAJLBV-UHFFFAOYSA-N,2,1,0.523,57,630,469.854,5.447,5,0.321,0.71,1.0,0.8880388595709684,0.9004180659310533,0.985401960112398,0.9841940237132479,0.9395132273319169
EOS-2-28726,Clc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)nn1,NHGSECWXBHTCQB-UHFFFAOYSA-N,2,1,0.371,6,870,469.856,3.269,6,0.399,0.63,0.993,0.5737954903707765,0.6056301829895141,0.24290658625179906,0.26518059077513534,0.42187821259680625
EOS-2-28727,Cc1ncc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)cn2)n1C,HDOMSJZNYUBTEF-UHFFFAOYSA-N,2,1,0.338,50,315,469.858,5.292,5,0.357,0.6,1.0,0.35427660886848056,0.5023816050990336,0.9360993077924749,0.9306164759098075,0.680843499417449
EOS-2-28728,Fc1cc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)ccc1Cl,WADLEPOMYDTPMJ-UHFFFAOYSA-N,2,1,0.342,69,479,469.867,5.363,6,0.343,0.83,1.0,0.3542851757932972,0.5482917551915565,0.7470444109382496,0.8198204372558426,0.6173604447947365
EOS-2-28729,Fc1cccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)o4)n23)cc1,DWTYTYDKYZIKBL-UHFFFAOYSA-N,2,1,0.392,3,641,469.867,5.363,6,0.343,0.76,1.0,0.2569477760263176,0.5023901720238503,0.7134106641080118,0.8092831197313413,0.5705079329723802
EOS-2-28730,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)cc2)cc1,MSNUNHAVCWREEA-UHFFFAOYSA-N,2,1,0.411,93,950,469.867,5.363,6,0.32,0.77,0.999,0.32827599204989377,0.6244003152628332,0.7746127749982866,0.8541823726954972,0.6453678637516277
EOS-2-28731,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(Cl)c6)o5)n34)cc2)nc1,XVGQXXHDHHCVQW-UHFFFAOYSA-N,2,1,0.38,3,641,469.867,5.363,6,0.343,0.78,1.0,0.2520474950311836,0.49796107189363303,0.734425330683298,0.8218165307381262,0.5765626070865602
EOS-2-28732,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)cnc1Cl,XSFUJQIXKWSTLT-UHFFFAOYSA-N,2,1,0.338,69,894,469.867,5.363,6,0.32,0.69,1.0,0.35654684394489755,0.47508738263313,0.8779984236858337,0.890317661572202,0.6499875779590158
EOS-2-28733,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cn5)n34)o2)cc1,VNPWYTAQBFGWSI-UHFFFAOYSA-N,2,1,0.346,30,950,469.867,5.363,6,0.343,0.82,1.0,0.27302789390720306,0.4533530943732438,0.7264837913782468,0.8378452470701118,0.5726775066822013
EOS-2-28734,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)o2)c1Cl,GTGMYBPBGVMVOR-UHFFFAOYSA-N,2,1,0.305,30,737,469.867,5.363,6,0.343,0.75,0.841,0.3183640600370091,0.43125042834624083,0.6954372558426427,0.8092916866561579,0.5635858577205126
EOS-2-28735,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)cc2)c1,WXNDQJKHSBMWBN-UHFFFAOYSA-N,2,1,0.392,93,641,469.867,5.363,6,0.32,0.8,1.0,0.3183726269618258,0.5710969090535262,0.7654718662189021,0.8491450209032966,0.6260216057843876
EOS-2-28736,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cn2)cc1Cl,INNCKELKWDUIEZ-UHFFFAOYSA-N,2,1,0.312,69,152,469.867,5.363,6,0.343,0.72,1.0,0.33086320334452746,0.48838324994859844,0.870176821328216,0.8916112672195189,0.6452586354602152
EOS-2-28737,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)nc3)n12,VMMOJVWSNZWHCR-UHFFFAOYSA-N,2,1,0.351,3,923,469.867,5.363,6,0.343,0.76,1.0,0.32066856281269274,0.5296244260160373,0.8570180248098143,0.8916198341443355,0.6497327119457199
EOS-2-28738,Fc1cc(Cl)ccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)o1,HGTZZFZZJXQZPC-UHFFFAOYSA-N,2,1,0.364,3,950,469.867,5.363,6,0.343,0.7,1.0,0.31838119388664243,0.6009440751147967,0.7769858131725036,0.8526317593036804,0.6372357103694058
EOS-2-28739,Fc1c(-c2cnco2)ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)c1Cl,RIODRKIKKMVEAQ-UHFFFAOYSA-N,2,1,0.325,69,696,469.867,5.363,6,0.343,0.56,1.0,0.37507710232335,0.44452059488725926,0.829689534644644,0.8691402234253992,0.6296068638201632
EOS-2-28740,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(Cl)c6)o5)n34)cc2)cn1,SZXPAMVWJHOABM-UHFFFAOYSA-N,2,1,0.392,93,641,469.867,5.363,6,0.32,0.73,1.0,0.2598433966143513,0.5023987389486669,0.7769943800973202,0.847251730518813,0.5966220615447879
EOS-2-28741,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)o5)n34)cc2)cn1,SHLKWAYTSNHGFL-UHFFFAOYSA-N,2,1,0.405,93,950,469.867,5.363,6,0.32,0.75,1.0,0.32307586868617644,0.6155421150023987,0.7900589404427387,0.8541909396203139,0.645716965937907
EOS-2-28742,Fc1cccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6cncnc6)c(Cl)c5)n34)on2)c1,CDLYHKPMVNXDBU-UHFFFAOYSA-N,2,1,0.358,42,696,469.867,5.363,6,0.343,0.71,1.0,0.26774210129531906,0.3753769446919334,0.8644969501747652,0.9078627235967377,0.6038696799396889
EOS-2-28743,Fc1cc(-c2nnco2)cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1Cl,FYLBLMMWSLXACH-UHFFFAOYSA-N,2,1,0.338,3,38,469.867,5.363,6,0.343,0.63,1.0,0.38880131587965183,0.5157974093619354,0.890034953053252,0.9068004249194709,0.6753585258035775
EOS-2-28744,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cccnc3-c3cccc(Cl)c3)n12,DBZQLNWQABJLDB-UHFFFAOYSA-N,2,1,0.375,3,923,469.867,5.363,6,0.343,0.7,1.0,0.30547940511274074,0.4445291618120759,0.8047854842025907,0.8625522582413817,0.6043365773421973
EOS-2-28745,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(Cl)c6)o5)n34)cc2)ccn1,DOHYDPYCCMXYFH-UHFFFAOYSA-N,2,1,0.383,93,641,469.867,5.363,6,0.32,0.75,1.0,0.2705434857103694,0.5251610581865533,0.7794188198204373,0.8491535878281132,0.6060692378863684
EOS-2-28746,Fc1nc(-c2ccccc2Cl)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,UKJPCNWVIAGVJL-UHFFFAOYSA-N,2,1,0.377,93,152,469.867,5.363,6,0.32,0.73,1.0,0.3452299362620794,0.5110341991638682,0.8201802480981427,0.8593310945103145,0.6339438695086013
EOS-2-28747,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nn6)cn5)n34)o2)cc1,VWECNOMIFIXEJS-UHFFFAOYSA-N,2,1,0.329,32,572,469.867,5.363,6,0.343,0.77,1.0,0.21616921389897883,0.3412034815982455,0.7838650538002878,0.8378538139949284,0.5447728908231101
EOS-2-28748,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)o2)ccc1Cl,ZRRCZRBNDGSHSR-UHFFFAOYSA-N,2,1,0.309,30,737,469.867,5.363,6,0.343,0.83,0.994,0.3230844356109931,0.4931207593722157,0.7264923583030636,0.8218250976629429,0.5911306627373039
EOS-2-28749,Fc1cc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(-c3ccc(-c4ncco4)cc3)n12,ROWDGEVFVCSWHK-UHFFFAOYSA-N,2,1,0.338,69,484,469.867,5.363,6,0.343,0.8,1.0,0.3843893495990679,0.5070934137482009,0.7838736207251045,0.8114334178603249,0.6216974504831745
EOS-2-28750,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cn6)o5)n34)cc2)cc1,UWFRVANEUBTAEY-UHFFFAOYSA-N,2,1,0.408,93,950,469.867,5.363,6,0.343,0.75,1.0,0.3611815502707148,0.6681516003015557,0.7316839147419643,0.8357292166403948,0.6491865704886574
EOS-2-28751,Fc1ccc(-c2nccc(Cl)c2-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)cc1,HISJENZGQUUWLN-UHFFFAOYSA-N,2,1,0.355,32,20,469.867,5.363,6,0.343,0.72,0.993,0.2977177712288397,0.4445377287368926,0.7583013501473511,0.8357377835652114,0.5840736584195737
EOS-2-28752,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3nnc(-c4ccc(Cl)cc4)o3)n12,OEAJVTFAGPMBQE-UHFFFAOYSA-N,2,1,0.342,3,950,469.867,5.363,6,0.343,0.74,1.0,0.3158282502912754,0.5963008018641628,0.7316924816667809,0.8218336645877595,0.6164137996024946
EOS-2-28753,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)o5)n34)cc2)nc1,OXUYVJNXGHUVRS-UHFFFAOYSA-N,2,1,0.392,3,950,469.867,5.363,6,0.343,0.79,1.0,0.33813652251387843,0.619996915907066,0.7492632444657665,0.8298009046672606,0.6342993968884929
EOS-2-28754,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3nnc(-c4cccc(Cl)n4)o3)n12,OEKHGQVYDHOAMK-UHFFFAOYSA-N,2,1,0.377,93,641,469.867,5.363,6,0.32,0.79,0.739,0.3542937427181139,0.5024073058734837,0.6601929271468714,0.7869834144335549,0.575969347543006
EOS-2-28755,Cn1nc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1-c1cnn(CCO)c1,KUDVQFDZGPQKSF-UHFFFAOYSA-N,2,1,0.39,92,694,469.868,2.147,5,0.36,0.63,0.977,0.26518059077513534,0.11804365704886574,0.30488828730039064,0.30733842779795767,0.24886274073058734
EOS-2-28756,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)c6)nn5)n34)cn2)nc1,MCDJMLBSWXMIDL-UHFFFAOYSA-N,2,1,0.31,10,37,469.871,4.289,6,0.379,0.66,1.0,0.030446850798437394,0.21978445617161263,0.6129377698581318,0.7264752244534302,0.397411075320403
EOS-2-28757,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)cc1,ZIRJGDBQMRQOKB-UHFFFAOYSA-N,2,1,0.342,3,158,469.871,4.289,6,0.379,0.7,1.0,0.036983414433554934,0.3363117675279282,0.47332259612089644,0.6703961346035228,0.3792534781714756
EOS-2-28758,Fc1cc(-c2cncnc2)ccc1-c1nnc2cncc(-c3cn(-c4cccc(Cl)c4)nn3)n12,NTXMIIWTYITFQZ-UHFFFAOYSA-N,2,1,0.315,10,783,469.871,4.289,6,0.379,0.66,0.381,0.024664176547186622,0.2605287505996847,0.7317010485915976,0.8218422315125763,0.4596840518127613
EOS-2-28759,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cn5)n34)cn2)nc1,BZVKGOIOLVVRNR-UHFFFAOYSA-N,2,1,0.325,10,664,469.871,4.289,6,0.379,0.83,1.0,0.009637790418751286,0.15796552669453773,0.5620502364471249,0.6792971694880405,0.3522376807621136
EOS-2-28760,Fc1cc(-n2nnnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)ccc1Cl,JXFAMRVZRNOTLP-UHFFFAOYSA-N,2,1,0.31,3,158,469.871,4.289,6,0.379,0.66,1.0,0.04573881159618943,0.3123672126653417,0.5976715098348296,0.7450140497566994,0.42519789596326507
EOS-2-28761,Fc1cc(Cl)ccc1-n1cnnc1-c1cncc2nnc(-c3cnc(-c4ccccc4)nc3)n12,OUDLJBFWHHLVLU-UHFFFAOYSA-N,2,1,0.333,10,298,469.871,4.289,6,0.379,0.73,1.0,0.039998971969022,0.20492940853951067,0.5287248989102872,0.6762987458022068,0.3624880063052567
EOS-2-28762,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)cc4)n23)ccc1-c1nc[nH]n1,NWFBRGOFFABPFM-UHFFFAOYSA-N,2,1,0.333,9,7,469.871,4.493,6,0.405,0.68,1.0,0.3518864368446303,0.4312589952710575,0.6872301418682749,0.7372952504968816,0.5519177061202111
EOS-2-28763,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)nnc1Cl,CENGVYZIBZIUBB-UHFFFAOYSA-N,2,1,0.321,38,787,469.871,4.493,6,0.405,0.52,1.0,0.27841648961688714,0.4132341854567884,0.7032759920498938,0.747704064149133,0.5356576828181756
EOS-2-28764,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cn1,SUNCUSYNKIMPEC-UHFFFAOYSA-N,2,1,0.278,10,748,469.871,4.289,6,0.379,0.63,0.988,0.010999931464601466,0.12509423617298335,0.5620588033719416,0.7132307586868618,0.35284593242409706
EOS-2-28765,Fc1ccc(-c2nnc(-c3nc[nH]n3)cc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,ZEWZVCRXMCIGLQ-UHFFFAOYSA-N,2,1,0.4,3,950,469.871,4.493,6,0.405,0.71,1.0,0.3543023096429306,0.5869542868891783,0.639983551504352,0.7778425056541703,0.5897706634226578
EOS-2-28766,Fc1ccc(Cl)c(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)c1,CPNBHICYAYYGDB-UHFFFAOYSA-N,2,1,0.304,3,158,469.871,4.289,6,0.379,0.73,0.819,0.05032211637310671,0.3071071208279076,0.4592557055719279,0.6530566787745871,0.3674354053868823
EOS-2-28767,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)nc2)nc1,NRRGJPGTXPUYMO-UHFFFAOYSA-N,2,1,0.292,10,664,469.871,4.289,6,0.355,0.71,0.96,0.023610444794736483,0.15429888287300392,0.6041224042217805,0.6763073127270235,0.36458476115413607
EOS-2-28768,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)n4)n23)cc1,CJFYLCFNBGXCSA-UHFFFAOYSA-N,2,1,0.298,39,144,469.871,4.289,6,0.379,0.7,0.987,0.036991981358371596,0.2003975053114934,0.46637482009457887,0.6503923651566034,0.33853916798026185
EOS-2-28769,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncc(Cl)c6)c5)n34)cn2)cn1,GPEDORYWIVPDKA-UHFFFAOYSA-N,2,1,0.293,42,151,469.871,4.289,6,0.355,0.72,0.998,0.02467274347200329,0.20493797546432732,0.7265009252278802,0.7707233911315194,0.43170875882393256
EOS-2-28770,Fc1cc(Cl)ccc1-n1ccnc1-c1nnc2cncc(-c3cc(-c4ccncc4)ncn3)n12,MSPZKIUGYBQONC-UHFFFAOYSA-N,2,1,0.264,10,872,469.871,4.289,6,0.379,0.73,0.015,0.024681310396819957,0.1055188129668974,0.6129463367829484,0.7105150435199781,0.36341537591666095
EOS-2-28771,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cc1Cl,QVGLABPEYZRCAD-UHFFFAOYSA-N,2,1,0.317,3,50,469.871,4.289,6,0.379,0.74,1.0,0.048857172229456514,0.2921064354739223,0.6680402302789391,0.745022616681516,0.43850661366595844
EOS-2-28772,Fc1c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)ccnc1Cl,JKJWFVQDUNDMES-UHFFFAOYSA-N,2,1,0.31,38,154,469.871,4.493,6,0.378,0.59,1.0,0.3308717702693441,0.3941385100404359,0.7517819203618669,0.777851072578987,0.5636608183126585
EOS-2-28773,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nn2)cc1Cl,UPBCKXLVDOKFRF-UHFFFAOYSA-N,2,1,0.321,10,783,469.871,4.289,6,0.379,0.71,0.979,0.04886573915427318,0.21484134055239532,0.622087245562333,0.7477126310739497,0.4083767390857378
EOS-2-28774,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,PBHQMWLUDBFPJD-UHFFFAOYSA-N,2,1,0.325,10,783,469.871,4.289,6,0.379,0.65,0.999,0.041472483037488864,0.2659858817079021,0.6367024192995683,0.772976492358303,0.42928431910081555
EOS-2-28775,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nn1,HRZZFJYRGIMIRV-UHFFFAOYSA-N,2,1,0.318,10,783,469.871,4.289,6,0.379,0.71,0.714,0.04441093824960592,0.1956856966623261,0.5816085258035776,0.7212751010897128,0.3857450654513056
EOS-2-28776,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cc1,ATLVPJCXNVNXII-UHFFFAOYSA-N,2,1,0.302,64,664,469.871,4.289,6,0.355,0.69,0.877,0.018478856829552463,0.15797409361935438,0.5150949215269687,0.65040093208142,0.3354872010143239
EOS-2-28777,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cn6)cn5)n34)nn2)c1,XRUBVGVRYOIDQF-UHFFFAOYSA-N,2,1,0.298,10,37,469.871,4.289,6,0.379,0.7,0.998,0.01670550339250223,0.15798266054417107,0.610144952367898,0.7237423754369131,0.3771438729353711
EOS-2-28778,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6Cl)n5)n34)nc2)c1,WMHLQOJQVIIUSU-UHFFFAOYSA-N,2,1,0.314,3,158,469.871,4.289,6,0.379,0.72,0.999,0.03173188952093756,0.2605373175245014,0.4628623809197451,0.6732831882667397,0.3571036940579809
EOS-2-28779,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3cn(-c4cccc(Cl)c4)nn3)n12,DJLGETWBNYUIOV-UHFFFAOYSA-N,2,1,0.333,10,115,469.871,4.289,6,0.379,0.67,1.0,0.04718662189020629,0.2712031389212528,0.6220958124871496,0.7264837913782468,0.4167423411692139
EOS-2-28780,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cccnc5Cl)c4)n23)cc1,ROHFKYJGEBYNLM-UHFFFAOYSA-N,2,1,0.302,39,449,469.871,4.289,6,0.355,0.69,0.999,0.011008498389418135,0.13905832362415188,0.5421835377972722,0.6704047015283394,0.3406637653347954
EOS-2-28781,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cc1,HRBQNSRZRHKGIO-UHFFFAOYSA-N,2,1,0.294,39,144,469.871,4.289,6,0.379,0.73,0.99,0.02256527996710301,0.15799122746898772,0.5217599890343362,0.7021023233500103,0.3511047049551093
EOS-2-28782,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nn1,AUEGEQPNWDGYNW-UHFFFAOYSA-N,2,1,0.337,3,115,469.871,4.289,6,0.379,0.71,1.0,0.05520526351860736,0.2659944486327188,0.630439997258584,0.7212836680145295,0.4182308443561099
EOS-2-28783,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(Cl)cc6)nn5)n34)cc2)nc1,RBZGOSXDIDIIAJ-UHFFFAOYSA-N,2,1,0.367,3,115,469.871,4.289,6,0.379,0.68,1.0,0.055213830443424025,0.23507641696936468,0.6161246658899322,0.7105236104447947,0.4042346309368789
EOS-2-28784,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6Cl)n5)n34)cn2)ccn1,VQHSFYYKNKTPDP-UHFFFAOYSA-N,2,1,0.297,10,871,469.871,4.289,6,0.355,0.68,0.677,0.040007538893838665,0.24067061887464875,0.5755688438078267,0.6908539510657254,0.3867752381605099
EOS-2-28785,Fc1cc(-c2nnc3cncc(-c4cnc(-c5ccc(Cl)nc5)cn4)n23)ccc1-c1cc[nH]n1,NIZDUTGDZUODNP-UHFFFAOYSA-N,2,1,0.329,42,72,469.871,4.493,6,0.378,0.72,1.0,0.2811407717085875,0.4401257624563087,0.7470529778630662,0.7940082927832225,0.5655819512027962
EOS-2-28786,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)c6)nn5)n34)cn2)ccn1,GBZJTWRPTQIURC-UHFFFAOYSA-N,2,1,0.301,10,705,469.871,4.289,6,0.355,0.71,1.0,0.013510040435885134,0.1742598176958399,0.6680487972037558,0.7605116167500514,0.40408256802138304
EOS-2-28787,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,UDJKTGQRNLLATO-UHFFFAOYSA-N,2,1,0.309,39,144,469.871,4.289,6,0.379,0.71,0.997,0.022573846891919675,0.19105955726132548,0.5388167363443218,0.7075937221574944,0.36501096566376534
EOS-2-28788,O=c1[nH]nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2F)s1,ZYRXEDRUCSHWEV-UHFFFAOYSA-N,2,1,0.557,37,669,469.889,3.412,5,0.379,0.52,1.0,0.8186639024055925,0.7575645946131176,0.4836371736001645,0.5497395654855733,0.6524013090261119
EOS-2-28789,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)s5)n34)nc2Cl)cn1,DCJOXDMPOWWZHG-UHFFFAOYSA-N,2,1,0.409,46,122,469.889,4.085,5,0.343,0.53,1.0,0.6789116578712905,0.6244088821876499,0.48031320677129735,0.43444589130285793,0.554519909533274
EOS-2-28790,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)ccc2F)cc1=O,GEJPVHCMAJZVIL-UHFFFAOYSA-N,2,1,0.489,4,605,469.889,3.38,5,0.389,0.68,1.0,0.5107771914193681,0.6105218970598314,0.49727571790829966,0.5196953601535192,0.5345675416352547
EOS-2-28791,COc1cc(-c2nnc3cncc(OCc4nc(-c5ccns5)ncc4F)n23)ccc1Cl,NSZWGLNPWRHKBI-UHFFFAOYSA-N,2,1,0.483,73,67,469.889,4.085,5,0.366,0.71,1.0,0.7213779041875128,0.8272565279967103,0.4524278664930437,0.4563429511342608,0.614351312452882
EOS-2-28792,COc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nc2)cs1,OFRLKMHECVGYCS-UHFFFAOYSA-N,2,1,0.512,59,756,469.889,4.085,5,0.366,0.76,1.0,0.8364317044753615,0.8378195462956617,0.4764923583030635,0.4470992392570763,0.6494607120827907
EOS-2-28793,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1nncs1,FCKBZJLRLXQHFK-UHFFFAOYSA-N,2,1,0.478,16,591,469.889,4.085,5,0.343,0.66,1.0,0.8481426906997465,0.7166575286135289,0.6543759851963539,0.5849581934068947,0.701033599479131
EOS-2-28794,COc1scnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,SKPBGRKQKFEGDT-UHFFFAOYSA-N,2,1,0.489,73,212,469.889,4.085,5,0.366,0.64,1.0,0.5738040572955931,0.7445257350421493,0.40843670755945444,0.43116475909807417,0.5394828147488178
EOS-2-28795,COc1cc(-c2nnc3cncc(OCc4nc(-c5ccc(F)cn5)ns4)n23)ccc1Cl,RVUDNIYKZJXYOQ-UHFFFAOYSA-N,2,1,0.473,73,67,469.889,4.085,5,0.366,0.63,1.0,0.6540847097525873,0.7998081008841066,0.3868651908710849,0.4404684394489754,0.5703066102391886
EOS-2-28796,COc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2F)ns1,RDRHGIRUXGGMHN-UHFFFAOYSA-N,2,1,0.518,16,55,469.889,4.085,5,0.343,0.65,1.0,0.8159053526146255,0.7351021177438147,0.48032177369611406,0.4689962990884792,0.6250813857857583
EOS-2-28797,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cs2)nn1,MCJWXTKUGPNKQA-UHFFFAOYSA-N,2,1,0.517,4,268,469.889,4.085,5,0.366,0.8,1.0,0.742598176958399,0.8777071482420671,0.4416078404495922,0.44047700637379206,0.6255975430059627
EOS-2-28798,OCc1csc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ccc2F)n1,OCLFDPWMYUHVNR-UHFFFAOYSA-N,2,1,0.5,4,71,469.889,3.569,5,0.376,0.72,1.0,0.7426067438832157,0.8234956480021931,0.4803303406209307,0.48104139538071417,0.6318685319717634
EOS-2-28799,COc1cc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C#N)c5)n34)c2)ccc1Cl,FUDIUTICPQCOOO-UHFFFAOYSA-N,2,1,0.442,97,137,469.892,4.361,5,0.36,0.77,1.0,0.8435422520731958,0.8117161263792749,0.8715303954492495,0.8137636214104585,0.8351380988280447
EOS-2-28800,Cc1noc(C)c1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cc5)o4)n23)cc1,CCIXTTCIEZUQHE-UHFFFAOYSA-N,2,1,0.372,3,641,469.892,5.434,6,0.336,0.73,0.999,0.32309300253580975,0.49312932629703243,0.4379154958536084,0.4870553766020149,0.43529830032211636
EOS-2-28801,O=C1C(Oc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)CN1c1cccc(Cl)c1,XAKXPSLNPYEJRR-UHFFFAOYSA-N,2,1,0.421,11,529,469.892,3.696,6,0.362,0.63,0.988,0.6194657665684326,0.5341905969433213,0.40494996915907067,0.49928894524021655,0.5144738194777603
EOS-2-28802,COc1ccc(-c2nnc3cncc(Oc4cc(-c5ccc(Cl)cc5)nn5cccc45)n23)cn1,FGWFOTUOCIJICJ-UHFFFAOYSA-N,2,1,0.426,77,417,469.892,4.955,6,0.352,0.77,1.0,0.6054074429442807,0.7531954629566171,0.681995750805291,0.6674319786169557,0.6770076588307861
EOS-2-28803,Clc1cccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1,ZZLIEIOBPAGTJT-UHFFFAOYSA-N,2,1,0.517,41,78,469.892,4.864,6,0.343,0.76,1.0,0.5626156534850251,0.5387139332465218,0.7317096155164142,0.7373038174216983,0.6425857549174149
EOS-2-28804,Cn1nc(-c2ccc(Cl)cc2)cc1Oc1cncc2nnc(-c3ccc(-c4ncco4)cc3)n12,HFWTWWLEKQMGSO-UHFFFAOYSA-N,2,1,0.462,77,937,469.892,5.293,6,0.338,0.76,1.0,0.6221472140360497,0.6729747789733397,0.6460832019738195,0.6360598999383181,0.6443162737303817
EOS-2-28805,Clc1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cn2)c1,OKKZQQLLXFYKJE-UHFFFAOYSA-N,2,1,0.517,40,2,469.892,4.864,6,0.343,0.66,1.0,0.5764426701391269,0.520526351860736,0.6516431361798369,0.6530652456994037,0.600419350969776
EOS-2-28806,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ncco5)nc4)n23)c(-n2cccc2)c1,GVFNDGXAMOJAMW-UHFFFAOYSA-N,2,1,0.483,28,297,469.892,4.864,6,0.343,0.67,1.0,0.5597371667466247,0.5433058049482558,0.660201494071688,0.6586851483791378,0.6054824035364266
EOS-2-28807,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)ncn2)c(F)n1,BVQULPWLFSIZAX-UHFFFAOYSA-N,2,1,0.392,31,194,469.893,3.217,5,0.345,0.58,0.895,0.5683726269618258,0.52516962511137,0.12478582687958331,0.16453635802892194,0.3457161092454253
EOS-2-28808,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)cc2F)n1,XLNDWURSVUDAIH-UHFFFAOYSA-N,2,1,0.517,37,779,469.893,3.217,5,0.369,0.64,1.0,0.5940048660132958,0.7304417106435473,0.0882735933109451,0.169976355287506,0.39567413131382356
EOS-2-28809,CC#Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)n1,GHJAPJCULUOMJM-UHFFFAOYSA-N,2,1,0.436,75,819,469.896,3.08,5,0.346,0.66,1.0,0.5520012336371736,0.6340723733808512,0.25715338222191764,0.25304982523473374,0.424069203618669
EOS-2-28810,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)n5C)n34)cc2)o1,AEESUUIQEZUGCE-UHFFFAOYSA-N,2,1,0.413,3,474,469.896,4.266,6,0.376,0.74,1.0,0.19148790350215886,0.46227126310739497,0.19348399698444246,0.30087039956137346,0.28702839078884246
EOS-2-28811,COc1c[nH]nc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,YGMZHXWRHJSRON-UHFFFAOYSA-N,2,1,0.33,3,783,469.896,4.091,6,0.404,0.63,1.0,0.14132855870056885,0.317413131382359,0.521768555959153,0.5529093276677404,0.3833548934274553
EOS-2-28812,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cc4)n23)nn1,OHUWFXYYRURNDI-UHFFFAOYSA-N,2,1,0.517,67,755,469.896,3.566,6,0.364,0.77,1.0,0.8410749777259955,0.8344441779178946,0.2501113700226167,0.3451185662394627,0.5676872729764924
EOS-2-28813,Cn1cnnc1-c1cc(Cl)cc(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,GRSJWJNLZOQIRI-UHFFFAOYSA-N,2,1,0.462,67,722,469.896,4.423,6,0.397,0.65,1.0,0.5416780892330889,0.6434617229799191,0.5557792474813241,0.5849667603317114,0.5814714550065109
EOS-2-28814,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6n[nH]c(=N)o6)cc5)n34)c(Cl)c2)cn1,QZLRQGSGVNDPSV-UHFFFAOYSA-N,2,1,0.324,9,38,469.896,3.975,6,0.402,0.67,1.0,0.13081694195051743,0.23021040367349735,0.6191059557261326,0.5942104722088959,0.39358594338976083
EOS-2-28815,Clc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cc1,USEBOVQWQUEBMV-UHFFFAOYSA-N,2,1,0.523,40,611,469.896,3.995,6,0.392,0.7,1.0,0.5182132821602358,0.5110427660886848,0.5755774107326435,0.5911178123500788,0.5489878178329107
EOS-2-28816,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)cc5Cl)n34)cc2)o1,GCMWZXHLLWFGKW-UHFFFAOYSA-N,2,1,0.313,42,303,469.896,4.266,6,0.376,0.79,1.0,0.202470701117127,0.29211500239873894,0.42675279281749023,0.43735864574052497,0.3396742855184703
EOS-2-28817,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)nc4)n23)c1,LUXOTSMCXUUYEW-UHFFFAOYSA-N,2,1,0.485,6,429,469.896,3.566,6,0.364,0.76,1.0,0.8056850113083408,0.783265369063121,0.30116167500514013,0.39946713727640326,0.5723947981632513
EOS-2-28818,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)c(Cl)c5)n34)cn2)nn1C,JJZSKVDYPDCSNP-UHFFFAOYSA-N,2,1,0.337,42,693,469.896,4.266,6,0.376,0.59,1.0,0.24125316976218217,0.34121204852306214,0.3795147693783839,0.3933332191076691,0.33882830169282435
EOS-2-28819,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc6ncnn6c5)c4)n23)nc1,BCNZJIPVPUELSQ-UHFFFAOYSA-N,2,1,0.495,75,496,469.896,3.566,6,0.364,0.59,1.0,0.7091186347748613,0.6926273045027757,0.40844527448427115,0.45635151805907753,0.5666356829552465
EOS-2-28820,CCn1ccc(-c2nc(Cl)cc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)n2)n1,KRYGZATZYWXZHM-UHFFFAOYSA-N,2,1,0.29,98,882,469.9,3.57,6,0.379,0.57,1.0,0.10138098828044685,0.16571002672880542,0.15785415667192104,0.20629154958536083,0.15780918031663355
EOS-2-28821,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cncc(Cl)c6)n5)n34)cc2)n1C,GKGCQJSTMYMGEU-UHFFFAOYSA-N,2,1,0.298,8,890,469.9,3.191,6,0.386,0.67,1.0,0.03174045644575423,0.1579997943938044,0.10263175930368035,0.15931053389075459,0.11292063600849839
EOS-2-28822,Cn1nc(-c2nc(Cl)n(C)n2)cc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,MHHAMJXURMVEPE-UHFFFAOYSA-N,2,1,0.327,99,899,469.9,3.098,6,0.386,0.63,1.0,0.10635837159893084,0.24067918579946543,0.08094887259269412,0.12401480364608321,0.1380003084092934
EOS-2-28823,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5Cl)n34)cc2)n1,XMWBRDJTPGZBQP-UHFFFAOYSA-N,2,1,0.321,67,745,469.9,3.098,6,0.386,0.76,1.0,0.16343979165238845,0.3019326982386403,0.20056027688301006,0.2769087108491536,0.2357103694057981
EOS-2-28824,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)nn1,SJLGUWRRFUSRIU-UHFFFAOYSA-N,2,1,0.329,98,765,469.9,3.098,6,0.386,0.77,1.0,0.10138955520526352,0.19569426358714276,0.23223219793023098,0.2888253032691385,0.20453532999794394
EOS-2-28825,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnnn6C)ccc5Cl)n34)nc2)cn1,CWURDQALOYTCAZ-UHFFFAOYSA-N,2,1,0.287,98,219,469.9,3.098,6,0.386,0.71,1.0,0.10636693852374751,0.3071156877527243,0.2716828867109862,0.3387704749503118,0.25598399698444246
EOS-2-28826,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)cc5Cl)n34)cc2)cn1,SAALBIZLCIFZBT-UHFFFAOYSA-N,2,1,0.327,98,866,469.9,3.098,6,0.386,0.64,1.0,0.1857823315742581,0.25059968473716676,0.24646186005071619,0.3042200671646906,0.2467659858817079
EOS-2-28827,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(Cl)cc(-c5nnnn5C)c4)n23)cc1,BICFIJSQWVQKMN-UHFFFAOYSA-N,2,1,0.329,25,745,469.9,3.098,6,0.386,0.69,1.0,0.13621410458501818,0.27633472688643684,0.20758515523267768,0.2978548420259064,0.22949720718250977
EOS-2-28828,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)c(Cl)c1,GTKMYDPUKKDHNE-UHFFFAOYSA-N,2,1,0.326,25,745,469.9,3.098,6,0.386,0.79,1.0,0.12779281749023372,0.2921235693235556,0.18675896100335823,0.2888338701939552,0.22387730450277565
EOS-2-28829,Cc1nc(-c2ccc(F)cc2)sc1COc1cncc2nnc(-c3c(F)cccc3Cl)n12,QZXVHSZRRJKNDY-UHFFFAOYSA-N,2,1,0.543,57,671,469.904,5.734,5,0.328,0.79,1.0,0.8681978616955658,0.9095247070111713,0.7629960249468851,0.8417774655609622,0.8456240148036461
EOS-2-28830,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cc1F,UDKPEVSEPMFABE-UHFFFAOYSA-N,2,1,0.529,11,275,469.904,5.468,5,0.33,0.79,1.0,0.9626225070248784,0.9443663902405592,0.9040847097525873,0.9211157562881228,0.9330473408265368
EOS-2-28831,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)cc1F,ASDWWJGOEFHLHI-UHFFFAOYSA-N,2,1,0.512,11,503,469.904,5.468,5,0.33,0.67,1.0,0.852691727777397,0.8235042149270098,0.9128743746144884,0.9330409156329244,0.8805278082379548
EOS-2-28832,FC(F)c1ccc(-c2nnc3cncc(OCc4csnc4-c4ccc(Cl)cc4)n23)cc1,VNRFZBDSORHVKQ-UHFFFAOYSA-N,2,1,0.608,1,138,469.904,6.085,5,0.301,0.75,1.0,0.9376327873346584,0.937435748063875,0.9483757110547598,0.9531303543280104,0.9441436501953259
EOS-2-28833,N#Cc1cc(F)cc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1,DZKHTDVAWAZTRI-UHFFFAOYSA-N,2,1,0.753,79,497,469.907,5.744,5,0.317,0.78,1.0,0.9980810088410664,0.9997087245562333,0.9721660612706463,0.977820231649647,0.9869440065793983
EOS-2-28834,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1coc(=O)n1C,IDCPSZULSXNUJI-UHFFFAOYSA-N,2,1,0.474,4,224,469.91,4.053,5,0.37,0.6,1.0,0.5597457336714413,0.5341991638681379,0.4905164142279487,0.402491261736687,0.4967381433760537
EOS-2-28835,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1n[nH]c(=O)n1C,AMRJPXOXRGRLJF-UHFFFAOYSA-N,2,1,0.479,36,718,469.914,3.183,5,0.406,0.55,1.0,0.49560516756904943,0.5071019806730176,0.24291515317661572,0.22970495510931396,0.3688318141319992
EOS-2-28836,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1nc(Cl)cn1O,YOSVCKHJCMICBQ-UHFFFAOYSA-N,2,1,0.484,4,248,469.914,3.898,5,0.372,0.67,1.0,0.4785227194846138,0.5483003221163731,0.2285227194846138,0.16719210472208895,0.3556344664519224
EOS-2-28837,COc1nc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)ccc1-c1nccn1C,KPXRYXFAZNODRF-UHFFFAOYSA-N,2,1,0.396,31,551,469.918,2.722,5,0.354,0.63,1.0,0.35189500376944693,0.34122061544787885,0.0157288739634021,0.015411897745185388,0.1810640977314783
EOS-2-28838,CCn1c(SC)nnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)on1,YGZWJFJYINUECL-UHFFFAOYSA-N,2,1,0.379,31,760,469.918,3.407,5,0.327,0.6,1.0,0.40172880542800354,0.40840243986018776,0.01446953601535193,0.029812898362003976,0.2136034199163868
EOS-2-28839,Clc1cccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ncccn6)s5)n34)cn2)n1,LOGACXXMHJZNFN-UHFFFAOYSA-N,2,1,0.296,32,557,469.921,4.482,6,0.348,0.61,0.999,0.1662497429922555,0.28134637790418754,0.2039613460352272,0.30422863408950723,0.23894652525529436
EOS-2-28840,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nncs5)n4)n23)c1,ZPNJKEJPYKTDPR-UHFFFAOYSA-N,2,1,0.325,64,176,469.921,4.482,6,0.372,0.62,0.892,0.13082550887533412,0.2763432938112535,0.21114042903159483,0.3709906791857995,0.2473249777259955
EOS-2-28841,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncs6)cn5)n34)cn2)cn1,PQQNFCBMOAQOGN-UHFFFAOYSA-N,2,1,0.317,70,392,469.921,4.482,6,0.348,0.7,1.0,0.15000685353985332,0.3412291823726955,0.4302994996915907,0.49929751216503326,0.35520826194229316
EOS-2-28842,Clc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4nncs4)nc3)n12,VONQZCXEQNUXED-UHFFFAOYSA-N,2,1,0.298,94,171,469.921,4.482,6,0.372,0.7,0.983,0.2110119251593448,0.3800887533411007,0.5114025769309849,0.6000274141594133,0.42563266739771094
EOS-2-28843,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)nc1F,WKKHOCFENWKPQT-UHFFFAOYSA-N,2,1,0.406,31,814,469.933,4.545,5,0.325,0.59,0.886,0.6277499828661504,0.5526780206976903,0.41554725515728874,0.4373672126653417,0.5083356178466178
EOS-2-28844,FCCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cn1,RKTRBRVANWHQDF-UHFFFAOYSA-N,2,1,0.495,75,329,469.933,4.356,5,0.336,0.74,1.0,0.48325166198341446,0.5071105475978342,0.34917072167774654,0.3963402097183195,0.43396828524432873
EOS-2-28845,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cc(F)sc4Cl)n23)c1,KIQIKRLETKZOCW-UHFFFAOYSA-N,2,1,0.396,18,211,469.933,4.545,5,0.348,0.64,0.995,0.4380268658762251,0.38954663833870196,0.48736378589541496,0.48706394352683163,0.4505003084092934
EOS-2-28846,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c(F)c2)n1,WGTXFYIKEWJUEY-UHFFFAOYSA-N,2,1,0.495,37,563,469.933,4.545,5,0.348,0.67,1.0,0.6818758138578576,0.712117058460695,0.3604105270372147,0.41524741278870536,0.5424127030361181
EOS-2-28847,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nn2C)cnc1F,WHFSXNFLPMLCQG-UHFFFAOYSA-N,2,1,0.414,95,235,469.933,4.371,5,0.343,0.66,0.775,0.47078678637516275,0.44013432938112534,0.43792406277842505,0.45008052909327667,0.4497314269069974
EOS-2-28848,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5sc(Cl)cc5F)n34)cn2)cn1,CKLPHAYVLCARLY-UHFFFAOYSA-N,2,1,0.464,87,468,469.933,4.545,5,0.348,0.75,1.0,0.5082413816736344,0.5711054759783428,0.4116664382153382,0.4281834692618738,0.47979919128229725
EOS-2-28849,Cc1c(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ccc2F)cnn1C,SIVMYOJESGWJET-UHFFFAOYSA-N,2,1,0.56,37,545,469.933,4.371,5,0.367,0.69,1.0,0.5940134329381125,0.7488434651497499,0.4192395997532726,0.4533188266739771,0.553853831128778
EOS-2-28850,Cc1cn(C)c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2F)n1,GGCXCEFUSFXDGK-UHFFFAOYSA-N,2,1,0.432,31,814,469.933,4.371,5,0.343,0.52,0.665,0.6570060311150709,0.6290778562127339,0.3048968542252073,0.332396682886711,0.4808443561099308
EOS-2-28851,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nc6ccccc6s5)cc4)n23)cc1,PXENMVNLOQURLT-UHFFFAOYSA-N,2,1,0.633,12,994,469.957,6.3,6,0.296,0.89,1.0,0.9462511137002262,0.9401857309300253,0.8067301761359742,0.8472602974436296,0.8851068295524639
EOS-2-28852,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cc4Cl)n23)cn1,DJQUFUYXTAXPHU-UHFFFAOYSA-N,2,1,0.314,42,106,469.961,5.636,6,0.334,0.68,0.989,0.2245305325200466,0.2971095195668563,0.6738229045301899,0.7290196011239806,0.4811206394352683
EOS-2-28853,Cn1nc(-c2ccc(Cl)cc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)s3)n12,JZVRBRMOJFBCQQ-UHFFFAOYSA-N,2,1,0.338,30,298,469.961,5.636,6,0.334,0.78,1.0,0.11125865259406484,0.34123774929751216,0.36041909396203137,0.552917894592557,0.34145834761154137
EOS-2-28854,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccsn6)cc5)n34)c2)c1Cl,LKTPBHFNOCJQBN-UHFFFAOYSA-N,2,1,0.333,69,152,469.961,5.636,6,0.334,0.69,1.0,0.1770269344116236,0.2605458844493181,0.7265094921526969,0.7707319580563361,0.48370356726749364
EOS-2-28855,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4cscn4)cc3Cl)n12,ZIEKAFVEQAJTLJ-UHFFFAOYSA-N,2,1,0.298,30,220,469.961,5.636,6,0.334,0.74,0.978,0.08916455349187856,0.1957028305119594,0.5523182098553903,0.6704132684531561,0.3768997155780961
EOS-2-28856,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)c1-c1cccc(Cl)c1,MMIMWNFKWZUTFG-UHFFFAOYSA-N,2,1,0.347,76,126,469.961,5.636,6,0.334,0.75,1.0,0.04441950517442259,0.17850901240490713,0.5353128640943047,0.6504094990062367,0.35216272016996775
EOS-2-28857,Cc1sc(-c2ccc(Cl)cc2)nc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,ICJLLRDIURDARE-UHFFFAOYSA-N,2,1,0.375,83,950,469.961,5.934,6,0.345,0.78,1.0,0.18869508601192517,0.4750959495579467,0.5587948050167911,0.6559180316633542,0.4696259680625043
EOS-2-28858,CN(C)c1ccccc1CCOc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,VMWLSMYVNVAKRS-UHFFFAOYSA-N,2,1,0.634,79,650,469.976,5.799,5,0.301,0.78,1.0,0.6305770680556507,0.7399081625659654,0.8379566170927284,0.7658745116852854,0.7435790898499075
EOS-2-28859,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cnc(C)s1,IXFFPCJGIIIFLA-UHFFFAOYSA-N,2,1,0.506,4,83,469.979,5.526,5,0.325,0.74,1.0,0.6697536152422726,0.7304502775683641,0.5879994517168118,0.490070934137482,0.6195685696662326
EOS-2-28860,COc1ccc(-c2ncsc2-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,GJLXYNYZMHVRAD-UHFFFAOYSA-N,2,1,0.558,11,848,469.979,5.26,5,0.323,0.72,0.993,0.6967051607155096,0.6290864231375506,0.41167500514015487,0.42184394489753957,0.5398276334726887
EOS-2-28861,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1nccs1,BVPVYXVOMUYFTF-UHFFFAOYSA-N,2,1,0.551,11,777,469.979,5.26,5,0.323,0.8,1.0,0.8267168117332603,0.827265094921527,0.4905249811527654,0.44364676855595914,0.6470384140908779
EOS-2-28862,CCc1nc(-c2nnc3cncc(OCCc4scnc4Cl)n23)ccc1-c1cscn1,VWLIVQLRHFZMDA-UHFFFAOYSA-N,2,1,0.44,18,690,469.983,4.604,5,0.344,0.56,0.822,0.5209375642519362,0.6200054828318826,0.07438660818312659,0.11483962716743198,0.3325423206085943
EOS-2-28863,CCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)ccn2)s1,MTJNFHUJGMACSV-UHFFFAOYSA-N,2,1,0.5,75,496,469.983,4.604,5,0.344,0.62,1.0,0.5416866561579056,0.6387070797066685,0.07226201082859297,0.10550167911726406,0.3395393564526078
EOS-2-28864,CCn1cc(-c2cncc(-c3nnc4cncc(CCc5cccc(Cl)c5)n34)c2)cn1,NYWNJQNFVSLNEK-UHFFFAOYSA-N,2,1,0.406,14,580,429.915,4.508,5,0.397,0.8,1.0,0.08225104516482763,0.1785175793297238,0.5217771228839696,0.5787471729148105,0.34032323007333287
EOS-2-28865,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5csc(Cl)n5)n34)cc2F)s1,QUQAWJZUDXGRAN-UHFFFAOYSA-N,2,1,0.368,22,844,429.893,4.534,5,0.419,0.68,1.0,0.28114933863340413,0.43126756219587414,0.3269138510040436,0.44710780618189294,0.3716096395038037
EOS-2-28866,Clc1ncc(-c2nnc3cncc(OCc4nnc(-c5cncs5)s4)n23)cn1,QUKSRHLBEFQUKB-UHFFFAOYSA-N,2,1,0.464,92,434,429.878,2.789,5,0.388,0.64,1.0,0.3659104927695154,0.5110513330135015,0.024647042697553287,0.04716092111575629,0.23719244739908163
EOS-2-28867,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,NJXSJSXBVPWJSU-UHFFFAOYSA-N,2,1,0.571,18,159,429.871,3.918,5,0.404,0.83,1.0,0.7455708998697828,0.819554862586526,0.5688866424508259,0.6092368583373312,0.6858123158111165
EOS-2-28868,Clc1nccnc1CCOc1cncc2nnc(-c3cccc(-c4cccnc4)c3)n12,ODXGEASUDRFQIS-UHFFFAOYSA-N,2,1,0.511,35,846,429.871,3.918,5,0.404,0.68,1.0,0.6936210677815091,0.7663285587005688,0.42320608594338976,0.5132530326913851,0.5991021862792132
EOS-2-28869,Clc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2)c1,UOCYPZQNIPQAND-UHFFFAOYSA-N,2,1,0.558,19,691,429.871,3.918,5,0.404,0.8,1.0,0.7601432389829347,0.7575731615379343,0.48364574052498116,0.5819340689466109,0.6458240524981153
EOS-2-28870,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cn1,WRZKIMBPXREBRX-UHFFFAOYSA-N,2,1,0.519,19,691,429.871,3.918,5,0.378,0.75,1.0,0.8389332465218285,0.7663371256253855,0.4451288465492427,0.5261719553149201,0.6441427935028442
EOS-2-28871,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)nc1,KPUWJGJTDKVGAV-UHFFFAOYSA-N,2,1,0.44,46,565,429.871,4.184,5,0.387,0.79,1.0,0.6848656706188746,0.6434702899047358,0.565579809471592,0.5464155986567062,0.6100828421629771
EOS-2-28872,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2)cc1,ZGOTURVPMULOTC-UHFFFAOYSA-N,2,1,0.568,19,691,429.871,3.918,5,0.404,0.82,1.0,0.8240267973408265,0.8543708450414639,0.5008224247824001,0.5911263792748955,0.6925866116098965
EOS-2-28873,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)nc1,SLEIAXUQXQAXDR-UHFFFAOYSA-N,2,1,0.576,24,583,429.871,3.918,5,0.404,0.64,1.0,0.7777054348571036,0.7445343019669659,0.45591460489342744,0.4900795010622987,0.617058460694949
EOS-2-28874,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,RKIAXISPXOXXJS-UHFFFAOYSA-N,2,1,0.54,24,747,429.871,3.918,5,0.378,0.72,1.0,0.727486121581797,0.739916729490782,0.4232146528682064,0.46264820779932836,0.5883164279350284
EOS-2-28875,Clc1ccccc1CCOc1cncc2nnc(-c3ccnc(-c4ccnnc4)c3)n12,OYVCCEAYQDABAC-UHFFFAOYSA-N,2,1,0.75,11,73,429.871,3.918,5,0.404,0.73,1.0,0.6936296347063258,0.7399252964155987,0.6543845521211706,0.6853111507093413,0.6933126584881091
EOS-2-28876,Clc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)c1,AWNVLNRLGHINFM-UHFFFAOYSA-N,2,1,0.57,35,361,429.871,3.918,5,0.404,0.82,1.0,0.8660561304913988,0.907391542731821,0.5784815982454938,0.6387413474059351,0.7476676547186621
EOS-2-28877,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,PORRJUXSYCWTNP-UHFFFAOYSA-N,2,1,0.511,35,846,429.871,3.918,5,0.404,0.76,1.0,0.7091272016996779,0.7745442395997533,0.4972842848331163,0.54974813241039,0.6326759646357344
EOS-2-28878,COc1ccc(Cl)cc1-c1nnc2cncc(-c3ccc(-c4ccc(C)nn4)nc3)n12,JIVIKEMQSUXGFX-UHFFFAOYSA-N,2,1,0.372,96,140,429.871,4.281,5,0.421,0.82,1.0,0.31061956000274143,0.36554211500239875,0.5688952093756425,0.5366064697416215,0.44541583853060107
EOS-2-28879,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,GLUHAWHCUJTXDK-UHFFFAOYSA-N,2,1,0.554,72,889,429.871,3.918,5,0.404,0.78,1.0,0.9469878692344595,0.9345229936262079,0.6009869097388801,0.6328730039065177,0.7788426941265163
EOS-2-28880,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)n1,VXYWAHQITGKDIQ-UHFFFAOYSA-N,2,1,0.477,97,19,429.871,4.184,5,0.413,0.74,1.0,0.7335086697279145,0.7304588444931808,0.4733311630457131,0.47209752587211296,0.6023490507847303
EOS-2-28881,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)ccn1,VBPITUACHOLVHZ-UHFFFAOYSA-N,2,1,0.582,75,583,429.871,3.918,5,0.378,0.69,1.0,0.8435508189980124,0.7832739359879378,0.5319546295661709,0.5497566993352067,0.677134020971832
EOS-2-28882,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)ccn2)c(C)n1,MIUREOYBUPYGLO-UHFFFAOYSA-N,2,1,0.583,13,110,429.871,4.706,5,0.408,0.77,1.0,0.6167072167774655,0.6538362689329038,0.5287334658351038,0.5299242683846207,0.5823003049825234
EOS-2-28883,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccnn5)n34)c2)nc1,HUPXMGJSQSVSNS-UHFFFAOYSA-N,2,1,0.495,72,275,429.871,3.918,5,0.404,0.75,1.0,0.7118771845658283,0.787420327599205,0.4765009252278802,0.5464241655815228,0.6305556507436091
EOS-2-28884,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c1,TWQHGCIZKFDTGL-UHFFFAOYSA-N,2,1,0.534,87,304,429.871,3.918,5,0.404,0.78,1.0,0.8240353642656432,0.8882358988417518,0.5186930299499691,0.5627698581317251,0.6984335377972722
EOS-2-28885,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cn1,FHJZVLWOJPCVBM-UHFFFAOYSA-N,2,1,0.573,72,889,429.871,3.918,5,0.378,0.72,1.0,0.952573504214927,0.9430213830443424,0.6041309711465972,0.6183006647933658,0.7795066307998081
EOS-2-28886,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncn5)n34)cn2)cc1,UMTVDOOMFPTXJI-UHFFFAOYSA-N,2,1,0.524,11,275,429.871,3.918,5,0.404,0.81,1.0,0.7662257556027688,0.8982592008772531,0.552326776780207,0.6028630662737304,0.7049186998834898
EOS-2-28887,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cn1,UHCFWGNKUXQQJJ-UHFFFAOYSA-N,2,1,0.588,35,215,429.871,3.918,5,0.378,0.74,1.0,0.9396117469673086,0.9417277773970255,0.6765985881707902,0.6763158796518401,0.8085634980467411
EOS-2-28888,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)ccc1Cl,BTPXFQCNNDOQNL-UHFFFAOYSA-N,2,1,0.523,4,770,429.871,4.184,5,0.413,0.72,1.0,0.6967137276403262,0.8308375025700775,0.5151034884517853,0.5164741964224522,0.6397822287711603
EOS-2-28889,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)nn1,AXESAURBLAZIIJ-UHFFFAOYSA-N,2,1,0.506,72,22,429.871,4.184,5,0.387,0.76,1.0,0.6054160098690974,0.707422383661161,0.5912206154478789,0.5911349461997122,0.6237984887944623
EOS-2-28890,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,MAXFULDOCBGXBM-UHFFFAOYSA-N,2,1,0.581,72,889,429.871,3.918,5,0.404,0.74,1.0,0.9261188403810569,0.9248166678089234,0.545516071550956,0.5942190391337125,0.7476676547186621
EOS-2-28891,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cncnc5)nc4)n23)cc1,MQYSEVWRAUMPRG-UHFFFAOYSA-N,2,1,0.697,35,215,429.871,3.918,5,0.404,0.75,1.0,0.9593585086697279,0.9812213008018642,0.6367109862243849,0.6586937153039545,0.8089961277499829
EOS-2-28892,Cc1ccc(-c2nnc3cncc(-c4cnc(C)nc4Oc4ccc(Cl)cc4)n23)cn1,AZKNSLMARFOOTF-UHFFFAOYSA-N,2,1,0.407,82,478,429.871,4.706,5,0.408,0.76,1.0,0.4521108902748269,0.5251781920361867,0.5388253032691385,0.519703927078336,0.5089545781646221
EOS-2-28893,Clc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)ccn1,SUZRFGSOHLTEPV-UHFFFAOYSA-N,2,1,0.59,75,393,429.871,3.918,5,0.378,0.8,1.0,0.7515591803166335,0.7399338633404153,0.6276643136179837,0.629797477897334,0.6872387087930917
EOS-2-28894,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cn1,KFYGANNICYWFDJ-UHFFFAOYSA-N,2,1,0.595,35,201,429.871,3.918,5,0.378,0.75,1.0,0.9469964361592763,0.9443749571653759,0.6161332328147489,0.6183092317181824,0.7814534644643959
EOS-2-28895,Clc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)c1,KEHQVJZGFSPGFF-UHFFFAOYSA-N,2,1,0.547,87,419,429.871,3.918,5,0.404,0.75,1.0,0.6936382016311425,0.8117246933040916,0.5724247824001096,0.6240148036460832,0.6754506202453568
EOS-2-28896,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)cn1,LBPBYBIATPGPOJ-UHFFFAOYSA-N,2,1,0.519,97,19,429.871,4.184,5,0.413,0.76,1.0,0.7662343225275855,0.7663456925502021,0.5489171407031732,0.5397590980741553,0.6553140634637791
EOS-2-28897,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)nn1,MPZCPRBSVQNAKV-UHFFFAOYSA-N,2,1,0.561,72,22,429.871,4.184,5,0.413,0.74,1.0,0.6393581659927352,0.739942430265232,0.5784901651703105,0.5693406894661093,0.6317828627235967
EOS-2-28898,Clc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5ccncn5)c4)n23)c1,FXPFHSBCCKNKRC-UHFFFAOYSA-N,2,1,0.527,11,490,429.871,3.918,5,0.404,0.73,1.0,0.80026214789939,0.8079638133095743,0.5588033719416079,0.5942276060585292,0.6903142348022754
EOS-2-28899,Cc1nccc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)n1,XPDARTSXRPEMKG-UHFFFAOYSA-N,2,1,0.472,97,55,429.871,4.184,5,0.387,0.74,1.0,0.7633387019395518,0.6828010417380577,0.6248886299773834,0.5911435131245288,0.6655429716948804
EOS-2-28900,Clc1cc(CCOc2cncc3nnc(-c4cnccc4-c4ccccn4)n23)ccn1,PEMZGDIFKXMSNW-UHFFFAOYSA-N,2,1,0.542,35,578,429.871,3.918,5,0.378,0.68,1.0,0.7213864711123296,0.7445428688917826,0.5489257076279899,0.5819426358714276,0.6491994208758823
EOS-2-28901,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)nn1,WLDFMUAAWXIBPO-UHFFFAOYSA-N,2,1,0.506,4,506,429.871,4.184,5,0.413,0.73,1.0,0.5520098005619902,0.6056387499143308,0.5187015968747858,0.5366150366664382,0.5532412960043862
EOS-2-28902,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,CXSLOYARPJORHT-UHFFFAOYSA-N,2,1,0.568,35,215,429.871,3.918,5,0.404,0.75,1.0,0.937641354259475,0.9330494825577411,0.6709101500925228,0.6908625179905421,0.8081158762250702
EOS-2-28903,Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)n1,ZYOXGBICQAEYLV-UHFFFAOYSA-N,2,1,0.456,4,92,429.871,4.184,5,0.413,0.77,1.0,0.4543639915016106,0.5711140429031595,0.5588119388664246,0.60003598108423,0.5460814885888561
EOS-2-28904,Clc1cccc(CCOc2cncc3nnc(-c4cnccc4-c4ccccn4)n23)n1,PPXCCDWLILNLNJ-UHFFFAOYSA-N,2,1,0.489,11,173,429.871,3.918,5,0.378,0.66,0.999,0.6878897950791584,0.6878041258309917,0.4379326297032417,0.49311219244739907,0.5766846857651977
EOS-2-28905,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c1,XGECXMNJBQZFQO-UHFFFAOYSA-N,2,1,0.483,11,367,429.871,3.918,5,0.404,0.75,0.999,0.6998834898224933,0.7615396477280515,0.44513741347405933,0.4993060790898499,0.6014666575286135
EOS-2-28906,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)n1,BHXDOUTXMFIQOP-UHFFFAOYSA-N,2,1,0.545,72,848,429.871,3.918,5,0.378,0.75,1.0,0.9181773010760057,0.9229490781988897,0.5081128778013844,0.5497652662600233,0.7247511308340758
EOS-2-28907,Cc1cc(-c2nnc3cncc(OCc4nccnc4-c4ccccn4)n23)ccc1Cl,SFAMYPBXFGAYFB-UHFFFAOYSA-N,2,1,0.523,24,912,429.871,4.184,5,0.413,0.73,1.0,0.69989205674731,0.8272736618463437,0.45926427249674456,0.4993146460146666,0.6214361592762662
EOS-2-28908,Cc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(-c2cccnn2)n1,QDAWSNPSSWOJDW-UHFFFAOYSA-N,2,1,0.62,43,389,429.871,4.184,5,0.413,0.76,1.0,0.9016859708039202,0.9313960660681242,0.5976800767596464,0.6092454252621479,0.7600018847234596
EOS-2-28909,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,DHLZJENTLRWWHH-UHFFFAOYSA-N,2,1,0.5,35,846,429.871,3.918,5,0.378,0.78,1.0,0.7061287780138441,0.7745528065245699,0.5523353437050237,0.5942361729833459,0.6568132753066959
EOS-2-28910,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2)cc1,XUYJINNIXMBHOU-UHFFFAOYSA-N,2,1,0.54,19,691,429.871,3.918,5,0.404,0.81,0.993,0.7363528887670482,0.8235127818518264,0.41924816667808923,0.5197124940031527,0.6247065828250291
EOS-2-28911,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)nn1,MKLFLVFUERXEOB-UHFFFAOYSA-N,2,1,0.593,72,992,429.871,4.184,5,0.387,0.74,1.0,0.7515677472414503,0.6878126927558084,0.6335069563429512,0.6028716331985471,0.6689397573846891
EOS-2-28912,Clc1cccc(CCOc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)n1,UGNYMHSMKGTLIQ-UHFFFAOYSA-N,2,1,0.511,11,747,429.871,3.918,5,0.378,0.69,0.95,0.7335172366527312,0.7874288945240216,0.33053766020149405,0.3994757042012199,0.5627398738948667
EOS-2-28913,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cc2)nc1,NTWDWOQAEJUYPP-UHFFFAOYSA-N,2,1,0.518,72,889,429.871,3.918,5,0.404,0.72,1.0,0.8824446576656844,0.9095332739359879,0.4938403810568158,0.5563703652936742,0.7105471694880406
EOS-2-28914,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)n1,JYTPVIUZMMOCJS-UHFFFAOYSA-N,2,1,0.446,19,848,429.871,3.918,5,0.378,0.82,0.984,0.6818843807826742,0.7121256253855116,0.3491792886025632,0.45332739359879376,0.5491291720923857
EOS-2-28915,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)n1,XENPZEDLMCDHJH-UHFFFAOYSA-N,2,1,0.518,72,22,429.871,4.184,5,0.413,0.81,1.0,0.7306216160646974,0.6828096086628743,0.5455246384757727,0.5197210609279693,0.6196692310328284
EOS-2-28916,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2)cn1,NKQMQWGBOZIDQY-UHFFFAOYSA-N,2,1,0.506,97,55,429.871,4.184,5,0.387,0.73,1.0,0.8338873278048112,0.7874374614488383,0.6543931190459873,0.6154478788294154,0.722791446782263
EOS-2-28917,CCOc1cc(Cl)ccc1-c1nnc2cncc(-c3cccc(-c4cncnc4)n3)n12,QQEMVFYTGUQTJC-UHFFFAOYSA-N,2,1,0.398,96,985,429.871,4.362,5,0.409,0.7,1.0,0.39960420807346997,0.5433143718730724,0.5976886436844631,0.6000445480090467,0.535162942910013
EOS-2-28918,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)ccn1,DNMVWQVYLPPNGJ-UHFFFAOYSA-N,2,1,0.539,58,56,429.871,3.918,5,0.378,0.8,1.0,0.8569923240353643,0.9134312247275718,0.5217856898087863,0.539767664998972,0.7079942258926735
EOS-2-28919,Clc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1,LSBHYQNIOODNFN-UHFFFAOYSA-N,2,1,0.56,75,583,429.871,3.918,5,0.404,0.71,1.0,0.8240439311904598,0.7663542594750189,0.515112055376602,0.54977383318484,0.6638210198067301
EOS-2-28920,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)ccn1,LNCWRJGHPOUTFI-UHFFFAOYSA-N,2,1,0.533,35,76,429.871,3.918,5,0.378,0.8,1.0,0.882453224590501,0.9134397916523884,0.5912291823726955,0.6028802001233637,0.7475005996847373
EOS-2-28921,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)cn1,WJXAEFVXHAEGER-UHFFFAOYSA-N,2,1,0.545,35,76,429.871,3.918,5,0.378,0.82,1.0,0.8314543211568776,0.9192567336029059,0.6129549037077651,0.6154564457542321,0.7447806010554452
EOS-2-28922,Clc1cc(-c2ccncc2)cc(-c2nnc3cncc(OCCc4ccnnc4)n23)c1,ZTMRFIYVWCNIAG-UHFFFAOYSA-N,2,1,0.6,35,202,429.871,3.918,5,0.404,0.77,1.0,0.6481135631553697,0.7787934343088205,0.6680573641285724,0.702110890274827,0.6992688129668974
EOS-2-28923,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)ccn1,ZZMZOJBGTLWNBS-UHFFFAOYSA-N,2,1,0.58,35,215,429.871,3.918,5,0.378,0.75,1.0,0.9396203138921253,0.9443835240901925,0.6872387087930917,0.6908710849153588,0.8155284079226921
EOS-2-28924,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)ccn1,HTRCVPYLYJFLHN-UHFFFAOYSA-N,2,1,0.483,18,578,429.871,3.918,5,0.378,0.71,1.0,0.6540932766774039,0.6387156466314852,0.5187101637996024,0.5529264615173737,0.5911113871564664
EOS-2-28925,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cn1,WJIRXKHBRAKPOV-UHFFFAOYSA-N,2,1,0.488,18,529,429.871,3.918,5,0.378,0.81,1.0,0.7486292920293331,0.770449249537386,0.5848639572339113,0.6061956000274141,0.6775345247070111
EOS-2-28926,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)nn2)cn1,VCUNSDOOOCAMJK-UHFFFAOYSA-N,2,1,0.577,19,54,429.871,3.918,5,0.378,0.79,0.995,0.7917294907819888,0.8195634295113426,0.4803389075457474,0.5497824001096566,0.6603535569871838
EOS-2-28927,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)n4)n23)cc1,LRYJRNDCOFYGHN-UHFFFAOYSA-N,2,1,0.5,1,268,429.871,4.184,5,0.413,0.71,1.0,0.7213950380371462,0.7663628263998356,0.5081214447262011,0.5094578849976013,0.6263342985401961
EOS-2-28928,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,WAKYLSZVGSSRKM-UHFFFAOYSA-N,2,1,0.477,11,700,429.871,3.918,5,0.404,0.81,1.0,0.6907597148927421,0.8308460694948941,0.3941813446645192,0.47501884723459664,0.597701494071688
EOS-2-28929,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)cn1,YFEWUCXADFCQSH-UHFFFAOYSA-N,2,1,0.549,75,525,429.871,3.918,5,0.378,0.76,1.0,0.8410835446508121,0.8344527448427113,0.5880080186416284,0.6000531149338634,0.7158993557672538
EOS-2-28930,Clc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)c1,MISSRJNMBIFEBS-UHFFFAOYSA-N,2,1,0.529,75,496,429.871,3.918,5,0.404,0.77,1.0,0.8109022685216914,0.8344613117675279,0.584872524158728,0.6154650126790487,0.7114252792817491
EOS-2-28931,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)n1,HACWHPMACPOREN-UHFFFAOYSA-N,2,1,0.473,11,529,429.871,3.918,5,0.378,0.8,1.0,0.6604242341169214,0.7532040298814338,0.469981495442396,0.5229165238845864,0.6016315708313345
EOS-2-28932,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)ccn1,QTOBOZQVWAOYER-UHFFFAOYSA-N,2,1,0.549,75,496,429.871,3.918,5,0.378,0.74,1.0,0.7973922280858063,0.8482968953464465,0.6009954766636968,0.612517990542115,0.7148006476595161
EOS-2-28933,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cn1,KSAWXZWDPVRVSV-UHFFFAOYSA-N,2,1,0.531,24,56,429.871,3.918,5,0.378,0.77,1.0,0.854859159756014,0.9095418408608046,0.5114111438558016,0.5261805222397368,0.7004981666780892
EOS-2-28934,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)nn1,NZFUJTPCFLZWQE-UHFFFAOYSA-N,2,1,0.512,72,22,429.871,4.184,5,0.413,0.74,1.0,0.6848742375436914,0.7304674114179974,0.5388338701939552,0.5464327325063395,0.6251520629154959
EOS-2-28935,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)cc4)n23)nn1,XDYVCLIZBBHYCM-UHFFFAOYSA-N,2,1,0.506,1,418,429.871,4.184,5,0.387,0.77,1.0,0.6481221300801864,0.7026934411623603,0.5151206223014186,0.5229250908094031,0.5972153210883421
EOS-2-28936,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ncn2)cc1,OBSROSMEAFVPNK-UHFFFAOYSA-N,2,1,0.541,44,130,429.871,3.918,5,0.404,0.8,1.0,0.7662428894524022,0.7704578164622027,0.5489342745528065,0.6125265574669316,0.6745403844835857
EOS-2-28937,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)n1,WXOIPLBNPLWROD-UHFFFAOYSA-N,2,1,0.523,58,747,429.871,3.918,5,0.378,0.81,1.0,0.7426153108080323,0.8777157151668837,0.4116835720649716,0.45333596052361047,0.6213376396408745
EOS-2-28938,Clc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cccnn1,SEUCQWBFTLQHSX-UHFFFAOYSA-N,2,1,0.598,72,386,429.871,3.918,5,0.404,0.73,1.0,0.9444863271879926,0.9530960866287438,0.6101535192927147,0.6504180659310533,0.789538499760126
EOS-2-28939,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)nn1,CVXXHKGIKFKFNX-UHFFFAOYSA-N,2,1,0.568,72,628,429.871,3.918,5,0.404,0.81,1.0,0.8592625591117813,0.8543794119662805,0.5388424371187719,0.5693492563909259,0.7054584161469399
EOS-2-28940,Clc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cncnc1,USRWQXIYDZIBNH-UHFFFAOYSA-N,2,1,0.62,35,494,429.871,3.918,5,0.404,0.72,1.0,0.8861370022616681,0.9578507299019944,0.7159550407785621,0.7290281680487972,0.8222427352477554
EOS-2-28941,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)cn1,IRMKFHYNESSQFI-UHFFFAOYSA-N,2,1,0.568,35,215,429.871,3.918,5,0.378,0.71,1.0,0.8109108354465081,0.8483054622712631,0.6602100609965047,0.6674405455417723,0.7467167260640121
EOS-2-28942,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)cc1,PWYQLJONRPOONF-UHFFFAOYSA-N,2,1,0.537,35,846,429.871,3.918,5,0.404,0.83,1.0,0.7182681104790625,0.9004266328558701,0.5151291892262353,0.5819512027962442,0.678943783839353
EOS-2-28943,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1,RXKDIYXRWBQBLH-UHFFFAOYSA-N,2,1,0.558,24,56,429.871,3.918,5,0.404,0.74,1.0,0.8159139195394421,0.882761633883901,0.44514598039887604,0.48433966143513124,0.6570402988143377
EOS-2-28944,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ncn2)cc1,LBGOICUXSHALQU-UHFFFAOYSA-N,2,1,0.554,44,130,429.871,3.918,5,0.404,0.83,1.0,0.72452196559523,0.7663713933246522,0.5784987320951271,0.6328815708313343,0.675568415461586
EOS-2-28945,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,DYBBFGGBONWESF-UHFFFAOYSA-N,2,1,0.54,24,56,429.871,3.918,5,0.404,0.77,1.0,0.7832739359879378,0.8777242820917004,0.45243643341786033,0.49932321293948323,0.6531894661092454
EOS-2-28946,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c1,CIFQGHOOVNVFCC-UHFFFAOYSA-N,2,1,0.607,84,56,429.871,3.918,5,0.404,0.78,1.0,0.8213624837228428,0.9114522650949215,0.5912377492975122,0.6212905215543828,0.7363357549174149
EOS-2-28947,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccccc5Cl)n34)nn2)ccn1,NDLYGBAHNAJREF-UHFFFAOYSA-N,2,1,0.512,4,820,429.871,4.184,5,0.413,0.78,1.0,0.5007710232335001,0.6631913508327051,0.5388510040435885,0.5594030566787745,0.5655541086971421
EOS-2-28948,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)n1,WBXGMPYPNAUBIG-UHFFFAOYSA-N,2,1,0.467,24,912,429.871,4.184,5,0.387,0.74,1.0,0.6541018436022206,0.6244174491124665,0.5976972106092797,0.5627784250565417,0.6097487320951271
EOS-2-28949,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)cc1,DLZKWBXNKISXSN-UHFFFAOYSA-N,2,1,0.524,18,503,429.871,3.918,5,0.404,0.84,1.0,0.7777140017819204,0.7954132684531561,0.5848810910835447,0.6530738126242204,0.7027705434857103
EOS-2-28950,Clc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)cn1,HJFBPWVCSRBKDH-UHFFFAOYSA-N,2,1,0.649,84,56,429.871,3.918,5,0.378,0.79,1.0,0.8504386265506134,0.9210986224384895,0.5353214310191213,0.5434257418956892,0.7125711054759785
EOS-2-28951,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)cn1,VMXQCPHXISFDJE-UHFFFAOYSA-N,2,1,0.537,35,361,429.871,3.918,5,0.378,0.77,1.0,0.8504471934754301,0.8412977177712289,0.6304485641834007,0.6617264066890549,0.7459799705297787
EOS-2-28952,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cn1,SNBZASYZFQPAFQ-UHFFFAOYSA-N,2,1,0.483,35,529,429.871,3.918,5,0.378,0.79,1.0,0.8135151805907751,0.8117332602289082,0.5689037763004592,0.5970375573983963,0.6977974436296347
EOS-2-28953,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nn1,AROSJPWGXLWRSM-UHFFFAOYSA-N,2,1,0.612,72,848,429.871,3.918,5,0.404,0.74,1.0,0.8056935782331575,0.8512610513330136,0.4592728394215612,0.4963333561784662,0.6531402062915496
EOS-2-28954,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nn1,IDEBKUOZQVKCCN-UHFFFAOYSA-N,2,1,0.489,72,848,429.871,3.918,5,0.404,0.78,1.0,0.7306301829895141,0.8413062846960455,0.3868737577959016,0.4721060927969296,0.6077290795695978
EOS-2-28955,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)cn1,MWPHMCTZDCKIIR-UHFFFAOYSA-N,2,1,0.5,18,181,429.871,3.918,5,0.378,0.73,1.0,0.6635854293742718,0.6200140497566994,0.5081300116510178,0.5366236035912549,0.582088273593311
EOS-2-28956,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cn1,SAFAXLQVTMESTI-UHFFFAOYSA-N,2,1,0.522,18,157,429.871,3.918,5,0.378,0.82,1.0,0.605424576793914,0.6681601672263724,0.497292851757933,0.5334367075594545,0.5760785758344185
EOS-2-28957,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)ccn1,SGVFVMLUNWVJEY-UHFFFAOYSA-N,2,1,0.512,19,691,429.871,3.918,5,0.378,0.8,0.999,0.8213710506476595,0.787446028373655,0.45928140634637793,0.5397762319237887,0.6519686793228703
EOS-2-28958,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)cn1,WKADWDBSDNIDKL-UHFFFAOYSA-N,2,1,0.598,97,183,429.871,4.184,5,0.387,0.78,1.0,0.6789202247961071,0.6244260160372832,0.6680659310533891,0.6183177986429991,0.6474324926324446
EOS-2-28959,Cc1cnccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,SAIUYEBTRKMCQX-UHFFFAOYSA-N,2,1,0.568,4,534,429.871,4.184,5,0.413,0.7,1.0,0.8314628880816942,0.9004351997806868,0.5755859776574601,0.5970461243232129,0.7261325474607635
EOS-2-28960,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)ccn1,JPBHLOWWILQNDL-UHFFFAOYSA-N,2,1,0.451,97,565,429.871,4.184,5,0.387,0.73,1.0,0.7306387499143308,0.757581728462751,0.6680744979782057,0.6240233705708998,0.6950795867315468
EOS-2-28961,Cc1cnccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnn1,HXDWPMIJUYCMDX-UHFFFAOYSA-N,2,1,0.593,16,659,429.871,4.184,5,0.413,0.64,1.0,0.9196251113700226,0.9211071893633062,0.6602186279213214,0.667449112466589,0.7921000102803097
EOS-2-28962,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)nc1,BNUOWBWRMLYODT-UHFFFAOYSA-N,2,1,0.478,18,181,429.871,3.918,5,0.404,0.69,1.0,0.6054331437187307,0.5916489616887122,0.4451545473236927,0.4931207593722157,0.5338393530258377
EOS-2-28963,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nc1,UOHYUITUWXNBAF-UHFFFAOYSA-N,2,1,0.583,15,922,429.871,3.918,5,0.404,0.71,1.0,0.9274124460283737,0.9211157562881228,0.6161417997395655,0.6387499143307518,0.7758549790967034
EOS-2-28964,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccncc5)ccn4)n23)n1,OEPPKNQKGOMMFK-UHFFFAOYSA-N,2,1,0.451,18,503,429.871,3.918,5,0.378,0.82,1.0,0.5390737440888219,0.5711226098279761,0.4905335480775821,0.5397847988486053,0.5351286752107464
EOS-2-28965,Clc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccnnc1,GZEKLUPINLXHFA-UHFFFAOYSA-N,2,1,0.617,35,202,429.871,3.918,5,0.404,0.65,1.0,0.8705708998697828,0.9155129874580221,0.6872472757179083,0.707602289082311,0.7952333630320061
EOS-2-28966,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c1,ULVQKFOAUDPOQH-UHFFFAOYSA-N,2,1,0.473,18,367,429.871,3.918,5,0.404,0.79,1.0,0.6221557809608663,0.7399509971900486,0.5287420327599205,0.5787557398396271,0.6174011376876156
EOS-2-28967,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)n1,NNBRJEWSYKPKTN-UHFFFAOYSA-N,2,1,0.54,15,922,429.871,3.918,5,0.378,0.75,1.0,0.8934617229799191,0.9134483585772051,0.5816170927283942,0.6092539921869645,0.7494452916181207
EOS-2-28968,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)cn1,KWPZWTIJLCVKOE-UHFFFAOYSA-N,2,1,0.595,72,202,429.871,3.918,5,0.378,0.71,1.0,0.9154444520594888,0.9330580494825578,0.6792372010143239,0.685319717634158,0.8032648550476321
EOS-2-28969,Clc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cn4)n23)cc1,JJQPPJNHDKLQKR-UHFFFAOYSA-N,2,1,0.608,79,881,429.867,5.211,5,0.369,0.82,1.0,0.8766619834144336,0.9466623260914262,0.8183469261873758,0.8257059146048934,0.8668442875745322
EOS-2-28970,Clc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)nc1,FUZQMNALNGWHDX-UHFFFAOYSA-N,2,1,0.633,79,881,429.867,5.211,5,0.369,0.78,1.0,0.8057021451579741,0.8117418271537249,0.8149544239599753,0.8178414776231924,0.8125599684737166
EOS-2-28971,Oc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1ccccc1,MJDQWVVMHVLXAQ-UHFFFAOYSA-N,2,1,0.593,1,347,429.867,4.791,5,0.432,0.69,1.0,0.7245305325200466,0.7663799602494689,0.8201888150229594,0.839849907477212,0.7877373038174217
EOS-2-28972,Clc1cc(COc2cncc3nnc(-c4cccc(Oc5ccccc5)c4)n23)ccn1,QKUYPLNZMXBPFO-UHFFFAOYSA-N,2,1,0.542,79,881,429.867,5.211,5,0.345,0.79,1.0,0.8109194023713248,0.7745613734493866,0.8443646768555959,0.8398584744020287,0.817425981769584
EOS-2-28973,Clc1cccc(COc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)c1,LRCLGCYMQPGSFQ-UHFFFAOYSA-N,2,1,0.612,79,881,429.867,5.211,5,0.369,0.81,1.0,0.9248937701322734,0.9052583784524707,0.8493249263244466,0.8357463504900281,0.8788058563498047
EOS-2-28974,Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)nc4)n23)cc1,FXXBLYIYHJQUBP-UHFFFAOYSA-N,2,1,0.548,1,709,429.867,4.791,5,0.432,0.72,1.0,0.9333921595504078,0.8235213487766432,0.847534439037763,0.8507641696936468,0.8638030292646153
EOS-2-28975,Clc1ccnc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,OUDFHWUSSQMBIH-UHFFFAOYSA-N,2,1,0.625,79,881,429.867,5.211,5,0.369,0.75,1.0,0.7601518059077513,0.7874545952984716,0.8183554931121925,0.8276591734630937,0.7984052669453773
EOS-2-28976,COc1cccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)c1,MABAFUMJHIGRGW-UHFFFAOYSA-N,2,1,0.483,57,480,429.867,5.308,5,0.377,0.92,1.0,0.6604328010417381,0.7074309505859776,0.8555873483654307,0.8417860324857789,0.7663092831197313
EOS-2-28977,COc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1ccccn1,GBPVJGVEIXKVRQ-UHFFFAOYSA-N,2,1,0.617,1,480,429.867,5.308,5,0.377,0.82,1.0,0.8338958947296279,0.7832825029127545,0.8346155164142279,0.8137721883352752,0.8163915255979713
EOS-2-28978,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2)cc1,ACXPVIKPDDKXBS-UHFFFAOYSA-N,2,1,0.595,1,23,429.867,4.791,5,0.432,0.66,1.0,0.7214036049619629,0.8079723802343911,0.852563223905147,0.8625608251661984,0.8111250085669248
EOS-2-28979,COc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)cc2)nc1,ZGPDTCWDNBCVBU-UHFFFAOYSA-N,2,1,0.662,57,528,429.867,5.308,5,0.377,0.82,1.0,0.8824617915153177,0.8483140291960798,0.867366869988349,0.8398670413268453,0.859502433006648
EOS-2-28980,Oc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ccccc1,DOAJGNUBYCNIIR-UHFFFAOYSA-N,2,1,0.518,12,347,429.867,4.791,5,0.404,0.71,1.0,0.7832825029127545,0.7532125968062504,0.7941710643547393,0.8114419847851415,0.7855270372147214
EOS-2-28981,Cn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)c2)cn1,RWJQUQVMOHTUJK-UHFFFAOYSA-N,2,1,0.35,96,46,429.846,4.523,5,0.421,0.79,1.0,0.2840363922966212,0.5251867589610033,0.9541412514563772,0.9582876430676445,0.6804130114454116
EOS-2-28982,Cn1cc(-c2nnc3cncc(-c4sccc4Cl)n23)c(-c2cc(F)c(F)cn2)n1,IJDOTKPTSPNUMA-UHFFFAOYSA-N,2,1,0.288,50,844,429.843,4.247,5,0.428,0.6,0.998,0.13342128709478446,0.23508498389418134,0.6335155232677678,0.7605201836748681,0.44063549448290046
EOS-2-28983,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C#N)cc4Cl)n23)cn1,LWHTUYNNDOCDCJ-UHFFFAOYSA-N,2,1,0.418,36,374,429.831,3.299,5,0.426,0.74,1.0,0.5520183674868069,0.6779007607429237,0.5114197107806182,0.5563789322184909,0.5744294428072099
EOS-2-28984,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nn2)cn1,NVTXWQSDCRQRJJ-UHFFFAOYSA-N,2,1,0.427,36,706,429.831,3.299,5,0.426,0.75,1.0,0.5364522650949215,0.702702008087177,0.6367195531492016,0.6154735796038654,0.6228368514837913
EOS-2-28985,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cn4)n23)ccc1Cl,TWFVSVRJOIHQKT-UHFFFAOYSA-N,2,1,0.54,4,677,429.831,2.871,5,0.418,0.72,1.0,0.3703652936741827,0.6009526420396134,0.6460917688986362,0.6417226372421355,0.564783085463642
EOS-2-28986,N#Cc1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)cc5)nn4)n23)cn1,HBGQKIYCKOSBIE-UHFFFAOYSA-N,2,1,0.593,4,677,429.831,2.871,5,0.418,0.68,1.0,0.21908196833664587,0.4883918168734151,0.4836543074497978,0.5434343088205058,0.43364060037009117
EOS-2-28987,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(C#N)cc5Cl)n34)cc2)n1,HTCBGTWIEBDSDY-UHFFFAOYSA-N,2,1,0.5,61,941,429.831,3.299,5,0.426,0.81,1.0,0.582088273593311,0.7074395175107944,0.5557878144061408,0.5911520800493455,0.6091169213898979
EOS-2-28988,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)c(Cl)c4)n23)cc1,CZYWZXGVCNIQBP-UHFFFAOYSA-N,2,1,0.623,43,909,429.827,3.945,5,0.412,0.77,1.0,0.9549808100884106,0.940194297854842,0.8240696319649099,0.82571448152971,0.8862398053594681
EOS-2-28989,N#Cc1cc(-c2nnc3cncc(OCc4ccccc4-c4nnco4)n23)ccc1Cl,UEYWADQHSDSLGJ-UHFFFAOYSA-N,2,1,0.529,43,909,429.827,3.945,5,0.412,0.76,1.0,0.92490233705709,0.9360736070180248,0.7838821876499212,0.7869919813583716,0.8579625282708518
EOS-2-28990,Cc1nnc(-c2ccc(Cl)c(Oc3cncc4nnc(-c5ccc(C#N)cc5)n34)c2)o1,FPZIUVOGXDALQG-UHFFFAOYSA-N,2,1,0.489,43,374,429.827,4.467,5,0.411,0.78,1.0,0.8213796175724762,0.9211243232129395,0.7392399424302653,0.737312384346515,0.8047640668905489
EOS-2-28991,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nc4)n23)ccc1Cl,FNSFPUJITLUGRM-UHFFFAOYSA-N,2,1,0.556,24,805,429.827,3.945,5,0.412,0.72,1.0,0.8916284010691522,0.8827702008087177,0.7988400383798232,0.7753752313069701,0.8371534678911657
EOS-2-28992,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)nc1,HYZOBZPGEIFQBR-UHFFFAOYSA-N,2,1,0.566,4,850,429.827,3.945,5,0.412,0.75,1.0,0.7542491947090673,0.8512696182578302,0.7006802138304434,0.7319066547871976,0.7595264203961346
EOS-2-28993,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3noc(-c4nccs4)n3)n12,XYMBWZGUNNUIOV-UHFFFAOYSA-N,2,1,0.529,73,446,429.824,3.669,5,0.416,0.72,1.0,0.5851809334521281,0.7532211637310671,0.21114899595641148,0.34512713316427934,0.4736695565759715
EOS-2-28994,Fc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1nnco1,ZYPYBSPCNGSWSZ-UHFFFAOYSA-N,2,1,0.422,53,237,429.824,3.669,5,0.39,0.58,0.987,0.6570145980398876,0.6434788568295524,0.38688232472071826,0.4471163731067096,0.533623038174217
EOS-2-28995,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncon5)s4)n23)c(Cl)c1,TWYDMJPUHBXKTF-UHFFFAOYSA-N,2,1,0.536,73,446,429.824,3.669,5,0.416,0.68,1.0,0.7214121718867795,0.7832910698375711,0.30117024192995684,0.43737577959015833,0.5608123158111165
EOS-2-28996,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4nnco4)s3)n12,OKFRJXZSVRRTGB-UHFFFAOYSA-N,2,1,0.523,4,10,429.824,3.669,5,0.416,0.71,1.0,0.6054417106435473,0.7998166678089234,0.345289904735796,0.4657494345829621,0.5540744294428072
EOS-2-28997,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3noc(-c4ccns4)n3)n12,BNEVZDONGMNBDZ-UHFFFAOYSA-N,2,1,0.447,73,877,429.824,3.669,5,0.416,0.57,1.0,0.6026574600781304,0.620022616681516,0.23566753478171476,0.3870193955177849,0.46134175176478653
EOS-2-28998,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3noc(-c4ccns4)n3)n12,JWHBUJPPRBIDMI-UHFFFAOYSA-N,2,1,0.524,73,446,429.824,3.669,5,0.416,0.63,1.0,0.5910321431019121,0.7211380302926461,0.27928174902337055,0.4218525118223562,0.5033261085600713
EOS-2-28999,Fc1cc(-c2nnc3cncc(OCc4nnc(-c5ccno5)s4)n23)ccc1Cl,VCPCTGSSDBKHCQ-UHFFFAOYSA-N,2,1,0.568,4,391,429.824,3.669,5,0.416,0.77,1.0,0.7486378589541498,0.8235299157014598,0.31959769721060927,0.4563600849838942,0.5870313892125283
EOS-2-29000,COc1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1[N+](=O)[O-],MSHROTHMPKKEGZ-UHFFFAOYSA-N,2,1,0.705,48,17,429.795,4.08,4,0.336,0.76,1.0,0.9741792886025632,0.7832996367623878,0.8067387430607909,0.6062041669522308,0.7926054588444931
EOS-2-29001,N#Cc1cc(OC(F)F)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,VOWDZKUKBOCEBF-UHFFFAOYSA-N,2,1,0.562,68,900,429.774,3.287,4,0.459,0.71,0.999,0.9376499211842917,0.9430299499691591,0.880748406551984,0.8659019258446988,0.9068325508875335
EOS-2-29002,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(Cl)c(-c4cncnn4)n3)n12,PUJREIYJRHFNCL-UHFFFAOYSA-N,2,1,0.484,73,446,470.255,3.458,5,0.381,0.63,1.0,0.7662514563772188,0.9095504077856212,0.4559231718182441,0.6183263655678157,0.687512850387225
EOS-2-29003,Fc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cncnc1Cl,OZEONCIVKNCRLI-UHFFFAOYSA-N,2,1,0.389,46,223,470.255,3.458,5,0.281,0.58,0.998,0.6333784524707011,0.6387242135563018,0.5319631964909876,0.6125351243917483,0.6041502467274347
EOS-2-29004,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)nc1Cl,RNVDHRHHSWPFEM-UHFFFAOYSA-N,2,1,0.407,51,434,470.255,3.458,5,0.281,0.66,1.0,0.8135237475155918,0.8635802892193818,0.48366287437461447,0.5434428757453225,0.6760524467137277
EOS-2-29005,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cc(-c4cncnn4)nnc3Cl)n12,CPMVMQYLEAIKLT-UHFFFAOYSA-N,2,1,0.495,36,659,470.255,3.458,5,0.381,0.63,1.0,0.872704064149133,0.9314046329929409,0.6041395380714139,0.7290367349736139,0.7843212425467754
EOS-2-29006,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nn5)nn4)n23)ccc1Cl,IHDNMJHXFRTYCL-UHFFFAOYSA-N,2,1,0.524,36,391,470.255,3.458,5,0.381,0.73,1.0,0.8364402714001782,0.9540213145089439,0.4559317387430608,0.6183349324926325,0.7161820642862038
EOS-2-29007,Fc1cc(Cl)nc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)c1,WHMCJPBVEQIYEC-UHFFFAOYSA-N,2,1,0.355,51,726,470.255,3.458,5,0.356,0.57,0.6,0.5238674525392365,0.5433229387978891,0.43030806661640736,0.5464412994311562,0.5109849393461723
EOS-2-29008,Fc1cc(F)cc(Oc2cncc3nnc(-c4ccc(-c5cc(Cl)cc(Cl)c5)cn4)n23)c1,SQTMAFHRQDAIJM-UHFFFAOYSA-N,2,1,0.434,13,236,470.266,6.231,5,0.312,0.84,1.0,0.7662600233020355,0.8573692687272977,0.9780601055445137,0.9900880679871154,0.8979443663902407
EOS-2-29009,Fc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)c(F)c2)cc1,GWTWRICZFFKIQN-UHFFFAOYSA-N,2,1,0.493,57,417,470.266,6.231,5,0.312,0.81,1.0,0.939628880816942,0.9778630662737304,0.980090466726064,0.9892485093550819,0.9717077307929546
EOS-2-29010,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5ccc(Cl)c(Cl)c5)c4)n23)cc1F,CHLLNUPIZXOMFU-UHFFFAOYSA-N,2,1,0.645,57,236,470.266,6.231,5,0.312,0.86,1.0,0.9525820711397437,0.9374443149886916,0.9862415187444314,0.993086491672949,0.9673385991364539
EOS-2-29011,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cc1Cl,MNFVGRQBHOJRTQ-UHFFFAOYSA-N,2,1,0.42,13,236,470.266,6.231,5,0.312,0.8,1.0,0.7719313275306696,0.844647385374546,0.9826605441710644,0.9917414844767323,0.8977451853882531
EOS-2-29012,Fc1cc(F)c(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)cc5)cn4)n23)cc1Cl,LHXKBRXABAKKRK-UHFFFAOYSA-N,2,1,0.423,57,417,470.266,6.231,5,0.292,0.81,1.0,0.9221523541909397,0.9540298814337606,0.9829089849907477,0.9905164142279488,0.9624019087108492
EOS-2-29013,Fc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c(F)c1,KRGDOPNIIKIHBH-UHFFFAOYSA-N,2,1,0.396,45,533,470.266,6.231,5,0.312,0.74,1.0,0.645063737920636,0.8935559591529024,0.9739651154821465,0.9848451099993146,0.8743574806387499
EOS-2-29014,Fc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)ccc1Cl,PLWJCMIMOGZEGC-UHFFFAOYSA-N,2,1,0.476,13,236,470.266,6.231,5,0.312,0.77,1.0,0.87466588993215,0.9389349599067919,0.9834572681790145,0.9912531697621821,0.9470778219450346
EOS-2-29015,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3cccc(-c4cncc(Cl)c4)c3)n12,LSRPEUQHRKSSOX-UHFFFAOYSA-N,2,1,0.464,13,724,470.266,6.231,5,0.312,0.75,1.0,0.8844236172983346,0.8935645260777192,0.9808871907340141,0.9890086354602152,0.9369709923925708
EOS-2-29016,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2)cc1Cl,QPJLOFFSPMQURJ-UHFFFAOYSA-N,2,1,0.409,13,236,470.266,6.231,5,0.312,0.79,1.0,0.8029778630662737,0.8909516140086354,0.9826691110958811,0.9912617366869988,0.9169650812144472
EOS-2-29017,COc1cc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)nc5)o4)n23)ccc1Cl,HIVJGIWDGWDZPK-UHFFFAOYSA-N,2,1,0.462,4,67,470.276,4.131,5,0.338,0.75,1.0,0.7394112809265986,0.8195719964361593,0.5319717634158042,0.5563874991433075,0.6618356349804674
EOS-2-29018,COc1cc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)no4)n23)ccc1Cl,BBDCTNXHJGKFMO-UHFFFAOYSA-N,2,1,0.467,16,67,470.276,4.131,5,0.338,0.78,1.0,0.6789287917209239,0.7615482146528683,0.5042748954835172,0.539793365773422,0.6211363169076829
EOS-2-29019,COc1cc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)nc5)n4)n23)ccc1Cl,NRVIYBRQJKSINJ-UHFFFAOYSA-N,2,1,0.462,16,67,470.276,4.131,5,0.338,0.75,1.0,0.7515763141662669,0.7166660955383456,0.5114282777054349,0.5398019326982386,0.6298681550270715
EOS-2-29020,COc1cc(-c2nnc3cncc(OCc4nnc(-c5cncc(Cl)c5)o4)n23)ccc1Cl,ZEIOCJZROILWCU-UHFFFAOYSA-N,2,1,0.478,4,67,470.276,4.131,5,0.361,0.74,1.0,0.7363614556918648,0.7874631622232884,0.5252638612843533,0.5660681241861422,0.6537891508464122
EOS-2-29021,COc1nnc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)o1,FJALCFUBFFDGFX-UHFFFAOYSA-N,2,1,0.467,72,55,470.276,4.131,5,0.338,0.73,1.0,0.6907682818175588,0.7788020012336372,0.5489428414776232,0.5563960660681242,0.6437272976492358
EOS-2-29022,Cc1nc(-c2nnc(CCOc3cncc4nnc(-c5ccc(Cl)nc5)n34)cc2Cl)no1,CHQNFYKHLCKGAN-UHFFFAOYSA-N,2,1,0.489,87,779,470.28,3.263,5,0.341,0.69,0.996,0.5711311767527928,0.6779093276677404,0.07645123706394352,0.16998492221232267,0.3738691659241999
EOS-2-29023,Fc1cc(CCOc2cncc3nnc(-c4coc(-c5ccc(Cl)cc5)c4)n23)cnc1Cl,YDIGLHASFWWSRX-UHFFFAOYSA-N,2,1,0.553,88,429,470.291,5.514,5,0.305,0.65,1.0,0.8186724693304092,0.8156826125693921,0.920438969227606,0.9416164073744089,0.874102614625454
EOS-2-29024,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,YJLCHRSOQHJYMH-UHFFFAOYSA-N,2,1,0.636,57,798,470.291,5.78,5,0.324,0.77,1.0,0.9644044273867453,0.9443920910150092,0.8856401206223015,0.9232146528682065,0.9294128229730656
EOS-2-29025,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)c(Cl)c4)n23)cc1Cl,QZEQSUSQTOIEAQ-UHFFFAOYSA-N,2,1,0.724,88,485,470.291,5.514,5,0.326,0.76,1.0,0.9880662737303817,0.9607720512644781,0.932561167843191,0.9448718388047427,0.9565678329106984
EOS-2-29026,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3cc(-c4ncco4)ccc3Cl)n12,VVIIGWNIYQECBZ-UHFFFAOYSA-N,2,1,0.588,88,732,470.291,5.514,5,0.326,0.76,1.0,0.9154530189843054,0.9283976423822905,0.9195051744225893,0.9391234322527585,0.9256198170104859
EOS-2-29027,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ncco5)ccc4Cl)n23)c1,LMBYKLQQIBEUQZ-UHFFFAOYSA-N,2,1,0.547,88,732,470.291,5.514,5,0.326,0.75,1.0,0.9301024604208074,0.9345315605510246,0.9195137413474059,0.9416249742992255,0.9314431841546158
EOS-2-29028,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3c(F)cccc3Cl)n12,HCNXVBPSJVWVSG-UHFFFAOYSA-N,2,1,0.55,34,671,470.291,5.78,5,0.324,0.79,1.0,0.8746744568569667,0.885545884449318,0.8396443012816119,0.9021914193681037,0.8755140154890001
EOS-2-29029,Cc1cc(-c2nnc3cncc(OCc4coc(-c5ccc(F)cc5Cl)n4)n23)ccc1Cl,KCJXGHXJRXUCTE-UHFFFAOYSA-N,2,1,0.541,34,146,470.291,5.78,5,0.324,0.74,1.0,0.8746830237817833,0.9155215543828388,0.9157871290521554,0.9348656706188746,0.910214344458913
EOS-2-29030,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccc(F)c(Cl)c1,PWQMNGARNSRXEF-UHFFFAOYSA-N,2,1,0.477,95,998,470.295,4.612,5,0.373,0.77,1.0,0.5082499485984511,0.5024158727983004,0.8346240833390446,0.8806370365293674,0.6814817353162909
EOS-2-29031,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1-c1ccc(Cl)cc1,MCCGKOTVZATJAN-UHFFFAOYSA-N,2,1,0.44,95,965,470.295,4.612,5,0.373,0.67,0.988,0.4683023781783291,0.5110598999383181,0.7392485093550819,0.8276677403879104,0.6365696319649099
EOS-2-29032,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ccc5Cl)n34)c(F)c2)n1,HNUYYVLCDOTVHO-UHFFFAOYSA-N,2,1,0.435,34,712,470.295,4.612,5,0.349,0.72,1.0,0.6137858954149819,0.7575902953875677,0.8047940511274073,0.839875608251662,0.7540114625454047
EOS-2-29034,Cn1cncc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)c1,JEVXOJLHXKBOKF-UHFFFAOYSA-N,2,1,0.467,73,469,470.295,4.612,5,0.373,0.76,1.0,0.6421081488588856,0.7532297306558837,0.8793348639572339,0.8943612500856692,0.7922584983894181
EOS-2-29036,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)cc1F,VRQRXVLYVFNDDM-UHFFFAOYSA-N,2,1,0.537,34,332,470.295,4.612,5,0.373,0.67,1.0,0.7274946885066137,0.787471729148105,0.8742718113905832,0.9102528956205881,0.8248727811664724
EOS-2-29037,Cn1cncc1-c1cc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)c(Cl)cn1,JKEDOFMHHSVKDT-UHFFFAOYSA-N,2,1,0.46,73,877,470.295,4.612,5,0.373,0.7,1.0,0.7777225687067371,0.7833082036872044,0.8411606469741622,0.875,0.8192978548420259
EOS-2-29038,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-n5cc(Cl)nn5)cc4)n23)cc1Cl,KRDXLRLZCDXRCU-UHFFFAOYSA-N,2,1,0.737,88,101,470.295,4.439,5,0.365,0.74,1.0,0.8213881844972929,0.8661246658899322,0.8346326502638612,0.8721986155849496,0.8485860290590089
EOS-2-29041,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ccc(Cl)c(F)c1,ARJYOGDFTGTHCX-UHFFFAOYSA-N,2,1,0.489,95,965,470.295,4.612,5,0.373,0.68,0.999,0.414921869645672,0.5433315057227058,0.8029007607429237,0.8593396614351313,0.6551234493866083
EOS-2-29042,Cn1nc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)cc1-c1ccc(F)cc1,NYXFAFUTEUNLGF-UHFFFAOYSA-N,2,1,0.506,95,965,470.295,4.612,5,0.373,0.73,1.0,0.4982180796381331,0.5205349187855527,0.8009903365088068,0.8707165375916661,0.6726149681310397
EOS-2-29043,Cn1cnc(-c2ccnc(Cl)c2)c1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,YTHHXRBKVGBDOJ-UHFFFAOYSA-N,2,1,0.5,34,10,470.295,4.612,5,0.349,0.67,1.0,0.6697621821670893,0.8235384826262765,0.7724710437941197,0.8337845247070111,0.7748890583236242
EOS-2-29045,Cn1nc(-c2nnc3cncc(OCc4ccncc4Cl)n23)cc1-c1ccc(F)c(Cl)c1,JNGRZYSOICHQSC-UHFFFAOYSA-N,2,1,0.466,95,998,470.295,4.612,5,0.373,0.79,0.999,0.5032382975807004,0.5158059762867521,0.8510468782125968,0.893024809814269,0.6907789904735795
EOS-2-29047,Cn1nncc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)c1,DTUFFAUZNKLQQX-UHFFFAOYSA-N,2,1,0.494,34,332,470.295,4.612,5,0.373,0.71,1.0,0.5995562332944966,0.7788105681584538,0.8688061133575492,0.9078712905215544,0.7887610513330136
EOS-2-29048,Cn1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1-c1ccc(Cl)nc1,SYGSZXOSHHFTBC-UHFFFAOYSA-N,2,1,0.451,95,998,470.295,4.612,5,0.349,0.74,0.988,0.5007795901583167,0.562204441093825,0.837965184017545,0.8763621410458502,0.6943278390788843
EOS-2-29049,Cc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(Br)cc3)n12,NLPSCYUZYGXHRD-UHFFFAOYSA-N,2,1,0.746,48,17,429.705,5.095,4,0.453,0.83,1.0,0.9878521006099651,0.981975190185731,0.9260074703584401,0.9339575765883079,0.957448084435611
EOS-2-29050,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1-c1cncc(Cl)c1,VHHABJUYRJKJCQ-UHFFFAOYSA-N,2,1,0.573,95,998,470.295,4.612,5,0.373,0.74,0.999,0.5683811938866424,0.5387225001713385,0.8443732437804126,0.8876019464053183,0.709769721060928
EOS-2-29051,Cn1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1ccc(Cl)cc1F,YICAVPULCFSSEY-UHFFFAOYSA-N,2,1,0.472,95,965,470.295,4.612,5,0.349,0.76,1.0,0.5107857583441848,0.6009612089644302,0.8222277431293263,0.8722071825097663,0.701545473236927
EOS-2-29052,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc(Cl)n1,XSJPMDDCSJCMJH-UHFFFAOYSA-N,2,1,0.638,59,294,470.295,4.612,5,0.349,0.73,1.0,0.8267253786580769,0.7445514358165993,0.8767562195874169,0.8903262284970187,0.834589815639778
EOS-2-29053,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccc(Cl)c(F)c1,BNQPEGDACPBVKY-UHFFFAOYSA-N,2,1,0.477,95,998,470.295,4.612,5,0.373,0.68,1.0,0.5132101980673017,0.5205434857103695,0.8346412171886779,0.8806456034541841,0.6872601261051333
EOS-2-29054,Cn1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1ccc(Cl)c(F)c1,WPEXMRLROOSQAA-UHFFFAOYSA-N,2,1,0.472,95,998,470.295,4.612,5,0.349,0.7,1.0,0.559754300596258,0.5764683709135768,0.8427369611404291,0.8806541703790007,0.7149034507573162
EOS-2-29055,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1-c1ccc(Cl)cn1,VEGROBAAHSPWSJ-UHFFFAOYSA-N,2,1,0.568,95,998,470.295,4.612,5,0.373,0.68,1.0,0.5968148173531629,0.6056473168391474,0.8009989034336235,0.859348228359948,0.7157023164964704
EOS-2-29056,COc1ccc(-c2nncn2C)cc1-c1cncc2nnc(-c3cc(Cl)c(Cl)cc3F)n12,CWXVRICNILEWAX-UHFFFAOYSA-N,2,1,0.369,22,252,470.295,4.708,5,0.354,0.78,1.0,0.3843979165238846,0.5575783016928243,0.8555959152902474,0.8674354053868824,0.6662518847234596
EOS-2-29057,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)ccc1F,GOGLTZBWZLHXFP-UHFFFAOYSA-N,2,1,0.53,73,980,470.295,4.612,5,0.373,0.77,1.0,0.8410921115756288,0.7874802960729217,0.8912685902268521,0.9090449592214379,0.8572214892742102
EOS-2-29058,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(Cl)c2)cn1,HBLFFDJKDLTNEK-UHFFFAOYSA-N,2,1,0.523,73,10,470.295,4.612,5,0.373,0.73,1.0,0.6137944623397985,0.7704663833870194,0.8631176752792817,0.887610513330135,0.7837472585840587
EOS-2-29059,Cn1cnc(-c2ccc(F)c(Cl)c2)c1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,IINBDOCDODOWFK-UHFFFAOYSA-N,2,1,0.456,59,772,470.295,4.612,5,0.373,0.57,1.0,0.5995648002193132,0.552686587622507,0.7878401069152217,0.8576262764717977,0.6994294428072099
EOS-2-29060,Cn1ncc(-c2nnc3cncc(OCc4ccnc(Cl)c4F)n23)c1-c1ccc(Cl)cc1,PFXYBPJLRMHRKX-UHFFFAOYSA-N,2,1,0.523,34,772,470.295,4.612,5,0.349,0.68,1.0,0.5520269344116236,0.6244345829621,0.820197381947776,0.8707251045164828,0.7168460009594956
EOS-2-29061,Cc1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(Cl)c2)n(C)n1,ZJVKOYPNILWNAP-UHFFFAOYSA-N,2,1,0.466,13,706,470.295,5.133,5,0.362,0.63,1.0,0.5032468645055171,0.7704749503118361,0.7861352888767048,0.8137807552600919,0.7184094647385374
EOS-2-29062,Cn1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4F)n23)cc1-c1ccc(Cl)cc1,GVLFMUFECDUDME-UHFFFAOYSA-N,2,1,0.472,95,965,470.295,4.612,5,0.349,0.65,0.971,0.5390823110136386,0.5711311767527928,0.814962990884792,0.8642313755054486,0.697351963539168
EOS-2-29063,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)cc1F,JQWHZHMHAWDVDK-UHFFFAOYSA-N,2,1,0.518,73,980,470.295,4.612,5,0.373,0.76,1.0,0.8746915907066,0.7833167706120211,0.8900435199780686,0.9057723939414708,0.8634560688095401
EOS-2-29065,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)ncc2F)cn1,JNHBPGRXNYRKQY-UHFFFAOYSA-N,2,1,0.535,73,10,470.295,4.612,5,0.373,0.65,1.0,0.5738126242204098,0.8117503940785415,0.8767647865122336,0.8959118634774861,0.7895599170721677
EOS-2-29066,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)nc(Cl)c4)n23)cc1Cl,LZFMZMJLXGPFCH-UHFFFAOYSA-N,2,1,0.53,16,55,470.295,4.612,5,0.349,0.75,1.0,0.8267339455828936,0.7745699403742032,0.8879103556987183,0.8930333767390858,0.8455619045987252
EOS-2-29067,Cn1nc(-c2ccc(F)cn2)cc1COc1cncc2nnc(-c3ccc(Cl)c(Cl)c3)n12,MQKREDKUJBAOKL-UHFFFAOYSA-N,2,1,0.535,34,391,470.295,4.612,5,0.373,0.71,1.0,0.7061373449386609,0.8882444657665685,0.7838907545747379,0.8398841751764786,0.8045391851141115
EOS-2-29068,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cc(Cl)[nH]n1,CTMDSZURZOZSCO-UHFFFAOYSA-N,2,1,0.568,88,626,470.295,4.644,5,0.364,0.66,1.0,0.9462596806250428,0.9345401274758413,0.8570265917346309,0.8916284010691522,0.9073637002261667
EOS-2-29069,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4Cl)n23)cc1,BDXGQUGVZVEMRK-UHFFFAOYSA-N,2,1,0.59,43,520,470.295,4.612,5,0.349,0.69,1.0,0.895372147214036,0.8661332328147489,0.8742803783154,0.8916369679939689,0.8818556815845384
EOS-2-29070,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1-c1ccc(Cl)cc1,HTKXFFITQAPRFS-UHFFFAOYSA-N,2,1,0.483,95,965,470.295,4.612,5,0.373,0.64,1.0,0.5264546638338702,0.5251953258858201,0.82563737920636,0.8792063600849839,0.6891234322527585
EOS-2-29071,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5nnc(Cl)c6ccccc56)nc4)n23)cc1,JOMBWIKTCGCCJW-UHFFFAOYSA-N,2,1,0.408,3,298,470.323,5.77,6,0.327,0.76,0.994,0.29226920704543896,0.5764769378383935,0.8067473099856076,0.9011291206908368,0.6441556438900693
EOS-2-29073,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4OC(F)(F)F)n23)cc1,QKLKSXXYCXNUJW-UHFFFAOYSA-N,2,1,0.681,48,444,470.329,5.168,4,0.363,0.79,1.0,0.9863871564663148,0.9560602426153109,0.9995373860599,0.997883969570283,0.9849671886779522
EOS-2-29074,CCn1ncc(-c2cncc3nnc(-c4ccc(C#N)cc4)n23)c1-c1ccc(Br)cc1,GHYJGBRXGSWQCA-UHFFFAOYSA-N,2,1,0.447,61,124,470.334,4.976,5,0.37,0.81,1.0,0.21909053526146255,0.40841100678500447,0.7006887807552601,0.7552515249126174,0.5208604619285861
EOS-2-29075,Fc1cnc(-c2nnc3cncc(OCc4cnccc4C(F)(F)F)n23)[nH]c1=NCC(F)F,PNYGTWHTDZAWJI-UHFFFAOYSA-N,2,1,0.371,68,900,470.337,2.812,4,0.435,0.31,0.019,0.5364608320197382,0.3412463162223288,0.9527962442601604,0.8930419436639024,0.6808863340415324
EOS-2-29076,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)ccc1-c1cscn1,FXSPCMCCJVIQKE-UHFFFAOYSA-N,2,1,0.625,13,209,470.341,6.023,5,0.313,0.8,1.0,0.9323469947227743,0.8156911794942088,0.9006922075251867,0.8943698170104859,0.885775049688164
EOS-2-29077,Cc1cnc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cn1,HZLMJXLECNWKHR-UHFFFAOYSA-N,2,1,0.483,7,486,470.345,4.899,5,0.338,0.6,1.0,0.687898362003975,0.7788191350832705,0.4592899732711946,0.5398104996230553,0.6164544924953739
EOS-2-29078,Cc1nc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)cs1,AYLGLTSYAAQUJH-UHFFFAOYSA-N,2,1,0.494,24,980,470.345,4.899,5,0.361,0.77,1.0,0.6393667329175519,0.610530463984648,0.5755945445822768,0.6360684668631348,0.6153900520869029
EOS-2-29079,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5c(Cl)cccc5Cl)n34)c2)s1,MVLOKYXISAJSAB-UHFFFAOYSA-N,2,1,0.46,59,332,470.345,4.899,5,0.361,0.71,1.0,0.5495510931396066,0.6009697758892468,0.5489514084024398,0.6617349736138716,0.5903018127612912
EOS-2-29080,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccc5Cl)nn4)n23)s1,BMKCTQDDDHMFKO-UHFFFAOYSA-N,2,1,0.436,54,411,470.345,4.633,5,0.357,0.63,0.998,0.7275032554314304,0.677917894592557,0.4836714412994312,0.6328901377561511,0.6304956822698924
EOS-2-29081,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(Cl)s5)c4)n23)cn1,AIYCFPRPGNIHCM-UHFFFAOYSA-N,2,1,0.556,75,583,470.345,4.633,5,0.334,0.67,1.0,0.7777311356315537,0.744560002741416,0.4663833870193955,0.5529350284421904,0.635402388458639
EOS-2-29082,Clc1cnccc1CCOc1cncc2nnc(-c3cc(-c4csnn4)ccc3Cl)n12,IXZYJHHVTNAGNX-UHFFFAOYSA-N,2,1,0.547,37,161,470.345,4.633,5,0.357,0.67,1.0,0.5654770063737921,0.7532382975807004,0.6680830649030224,0.7707405249811528,0.6893847234596668
EOS-2-29083,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)nc(Cl)c5)n34)ccn2)s1,JJJNWTDYJOLOBN-UHFFFAOYSA-N,2,1,0.488,75,43,470.345,4.899,5,0.338,0.75,1.0,0.627758549790967,0.6244431498869166,0.5785072990199438,0.6092625591117813,0.6099928894524022
EOS-2-29084,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5csc(Cl)n5)nc4)n23)c1,UJZPIZCETWBCBY-UHFFFAOYSA-N,2,1,0.533,58,981,470.345,4.633,5,0.357,0.76,1.0,0.7804040161743541,0.8344698786923446,0.5114368446302515,0.5942447399081625,0.6801388698512781
EOS-2-29085,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)nc2Cl)cn1,ZSTYWQFGXCOACU-UHFFFAOYSA-N,2,1,0.528,58,814,470.345,4.633,5,0.334,0.55,1.0,0.7214207388115962,0.7166746624631622,0.4192567336029059,0.5497909670344733,0.6017857754780344
EOS-2-29086,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)nn5)cs4)n23)ccc1Cl,RMWCLAQKGXYAFG-UHFFFAOYSA-N,2,1,0.484,4,677,470.345,4.899,5,0.361,0.61,1.0,0.6936467685559592,0.8041429648413405,0.6399921184291687,0.6908796518401754,0.707165375916661
EOS-2-29087,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)s5)ncn4)n23)ccn1,IODZIEZDFOXWKG-UHFFFAOYSA-N,2,1,0.429,58,481,470.345,4.633,5,0.334,0.69,1.0,0.7091357686244946,0.668168734151189,0.542192104722089,0.6360770337879514,0.638893410321431
EOS-2-29088,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)s1,LPUSAVIMSGQKBS-UHFFFAOYSA-N,2,1,0.488,2,980,470.345,4.899,5,0.361,0.76,1.0,0.6421167157837023,0.6290949900623672,0.5880165855664451,0.6445839901309026,0.6259530703858543
EOS-2-29089,Clc1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(-c5csnn5)cn4)n23)cc1,QVUHAWJKLVTUSX-UHFFFAOYSA-N,2,1,0.6,37,563,470.345,4.633,5,0.357,0.66,1.0,0.7214293057364128,0.9027225687067371,0.5848896580083613,0.7212922349393461,0.7325834418477144
EOS-2-29090,Cc1cc(-c2nnc3cncc(OCc4csc(-c5cnc(Cl)cn5)n4)n23)ccc1Cl,WFMRZWXLMJVAAJ-UHFFFAOYSA-N,2,1,0.484,4,390,470.345,4.899,5,0.361,0.71,1.0,0.5910407100267288,0.7615567815776849,0.49054211500239875,0.584975327256528,0.6070287334658351
EOS-2-29091,Clc1cnc(-c2ccsc2)cc1-c1nnc2cncc(OCCc3nccnc3Cl)n12,VJPXIYOHJVMZRG-UHFFFAOYSA-N,2,1,0.446,65,324,470.345,4.633,5,0.357,0.65,0.998,0.648130697005003,0.7399595641148653,0.3979936262079364,0.5464498663559728,0.5831334384209444
EOS-2-29092,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5nncs5)ccc4Cl)n23)n1,UQFBDYZOLHGALG-UHFFFAOYSA-N,2,1,0.5,72,639,470.345,4.633,5,0.334,0.67,1.0,0.7182766774038791,0.8802343910629841,0.5008309917072168,0.6269104242341169,0.6815631211020492
EOS-2-29093,Clc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cn1,YQJMKXSJUVJFIC-UHFFFAOYSA-N,2,1,0.489,87,434,470.345,4.633,5,0.334,0.72,1.0,0.8411006785004455,0.8982677678020697,0.531980330340621,0.5942533068329793,0.7164005208690288
EOS-2-29094,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nc(Cl)cs5)nc4)n23)n1,AQDGSNFWHSUFBI-UHFFFAOYSA-N,2,1,0.495,58,954,470.345,4.633,5,0.334,0.69,1.0,0.6967222945651429,0.8692858611472826,0.3642228085806319,0.4690048660132959,0.5998089575765883
EOS-2-29095,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)s1,SITAERIXYKLYPN-UHFFFAOYSA-N,2,1,0.5,75,980,470.345,4.899,5,0.361,0.69,1.0,0.6879069289287917,0.6200311836063327,0.5187187307244192,0.5970546912480296,0.6059278836268933
EOS-2-29096,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)nc1Cl,LJDQUKRJGKRXRF-UHFFFAOYSA-N,2,1,0.54,24,583,470.345,4.633,5,0.334,0.68,1.0,0.727511822356247,0.739968131039682,0.5114454115550682,0.5942618737577959,0.6432968096771983
EOS-2-29097,Fc1ccc(-c2nccnc2COc2cncc3nnc(-c4c(F)ccc(F)c4F)n23)c(F)c1,AAEDAKIUDCFIBR-UHFFFAOYSA-N,2,1,0.477,34,877,470.361,4.523,5,0.278,0.52,1.0,0.8314714550065109,0.8960575011993694,0.9528048111849771,0.9595641148653279,0.9099744705640462
EOS-2-29098,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cn2)cnc1F,PQKUEDNCQNNNQW-UHFFFAOYSA-N,2,1,0.494,59,577,470.361,4.523,5,0.214,0.71,0.981,0.8968713590569529,0.9345486944006579,0.9818466863134809,0.9770149407168802,0.947570420121993
EOS-2-29099,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cc1F,NOWROSOAGXEOKL-UHFFFAOYSA-N,2,1,0.461,59,13,470.361,4.523,5,0.278,0.67,1.0,0.8057107120827908,0.8117589610033582,0.9846138030292646,0.985144952367898,0.8968071071208278
EOS-2-29100,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cc(F)c(F)c5F)n34)cn2)nc1,STIULMGUSXNWBD-UHFFFAOYSA-N,2,1,0.494,59,607,470.361,4.523,5,0.214,0.67,1.0,0.9274210129531903,0.9345572613254746,0.9736481392639298,0.9683109451031457,0.950984339661435
EOS-2-29101,COc1cc(-c2nnco2)cc(F)c1Oc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,RCISVDJELWYTDV-UHFFFAOYSA-N,2,1,0.61,72,996,470.367,4.383,5,0.342,0.74,1.0,0.9518881502295936,0.9455143581659927,0.9100901240490713,0.8159824549379755,0.9058687718456582
EOS-2-29102,Cc1noc(COc2cncc3nnc(-c4ccnc(-c5cnc(OC(F)F)cn5)c4)n23)c1F,NCKHUNSXKZUMTK-UHFFFAOYSA-N,2,1,0.495,7,99,470.371,3.259,5,0.35,0.59,1.0,0.7917380577068056,0.7954218353779727,0.5588205057912412,0.4471249400315263,0.6482763347268865
EOS-2-29103,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nnn(COC(F)F)n5)n34)cc2)nn1,DMXZGIXASYMBGD-UHFFFAOYSA-N,2,1,0.443,36,404,470.375,2.15,5,0.332,0.62,0.707,0.46831094510314575,0.6009783428140635,0.2831625659653211,0.31959769721060927,0.41801238777328487
EOS-2-29104,COc1ccnnc1COc1cncc2nnc(-c3ccc(-c4nnn(C(F)F)n4)cc3F)n12,YWOPICUOISTSPU-UHFFFAOYSA-N,2,1,0.43,36,404,470.375,2.357,5,0.349,0.7,1.0,0.5082585155232677,0.6434874237543692,0.2642896305942019,0.20630011651017752,0.4055839215955041
EOS-2-29105,Fc1cc(-c2nnc3cncc(OCc4nnn(COC(F)F)n4)n23)ccc1-c1cncnc1,JIJOOAKIMSZATI-UHFFFAOYSA-N,2,1,0.433,36,404,470.375,2.15,5,0.332,0.64,0.963,0.4832602289082311,0.5817370296758275,0.3868908916455349,0.4248166678089233,0.4691762045096292
EOS-2-29106,Cn1nc(-c2cc(F)ccc2F)cc1Oc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,RKQPIJHVGURBCD-UHFFFAOYSA-N,2,1,0.625,34,417,470.386,4.864,5,0.33,0.78,1.0,0.760160372832568,0.9155301213076554,0.9597611541361113,0.9440751147967925,0.8948816907682817
EOS-2-29107,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)n2)cn1,HKCFJEQGCZECAV-UHFFFAOYSA-N,2,1,0.452,27,399,470.39,3.719,5,0.361,0.71,1.0,0.5654855732986087,0.6828181755876911,0.9508772531012268,0.8820248783496676,0.7703014700842986
EOS-2-29108,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nncn5C(F)F)cc4)n23)cc1F,YOAAQXMDSWCTAI-UHFFFAOYSA-N,2,1,0.539,37,734,470.39,3.74,5,0.335,0.7,1.0,0.8682064286203824,0.7532468645055171,0.8459581248714961,0.8070300185045576,0.8186103591254883
EOS-2-29109,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)nc1F,BVBXYVOTEKSMNR-UHFFFAOYSA-N,2,1,0.412,46,223,470.39,3.6,5,0.213,0.59,0.996,0.5880936878897951,0.5764855047632101,0.7290881365225139,0.7264923583030636,0.6550399218696457
EOS-2-29110,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)c(F)n4)n23)nc1,ZIXWGFKRYOAMCS-UHFFFAOYSA-N,2,1,0.436,31,814,470.39,3.74,5,0.264,0.53,0.857,0.7028733465835104,0.6056558837639641,0.822236310054143,0.7778596395038038,0.7271562949763553
EOS-2-29111,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)c(F)n4)n23)n1,NNYVTOZTLBGPLQ-UHFFFAOYSA-N,2,1,0.408,58,814,470.39,3.74,5,0.264,0.51,0.952,0.6818929477074909,0.6009869097388801,0.804802618052224,0.755260091837434,0.7107356418340073
EOS-2-29112,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncnn5C(F)F)nc4)n23)cc1F,AQBLKCGFXUMQNR-UHFFFAOYSA-N,2,1,0.667,84,360,470.39,3.74,5,0.335,0.64,1.0,0.8638972654375985,0.7954304023027894,0.7941796312795559,0.7527756836406003,0.8015707456651361
EOS-2-29113,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)cn1,ALZGMVTYUGWCQD-UHFFFAOYSA-N,2,1,0.523,27,69,470.39,4.357,5,0.326,0.69,1.0,0.48589027482694813,0.5433400726475225,0.9215098348296895,0.8337930916318278,0.696133318483997
EOS-2-29114,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncccc5F)n34)cn2)c(C(F)(F)F)n1,NHJVEUKSTZFSGS-UHFFFAOYSA-N,2,1,0.473,27,69,470.39,3.719,5,0.361,0.73,1.0,0.5416952230827222,0.6056644506887807,0.8659618943184154,0.7319152217120143,0.6863091974504831
EOS-2-29115,COc1cc(-c2ccc(-c3nnc4cncc(-c5ncnn5CC(F)(F)F)n34)nc2)ccc1F,VDCHDTQWRPQEOL-UHFFFAOYSA-N,2,1,0.28,50,542,470.39,3.822,5,0.36,0.7,0.669,0.33578918511411143,0.40379343430882053,0.8346497841134947,0.7682218490850524,0.5856135631553698
EOS-2-29116,FCCn1cc(-c2ncc(-c3nnc4cncc(OCc5cccnc5F)n34)c(F)c2F)cn1,KIGOUAIOPKMHQI-UHFFFAOYSA-N,2,1,0.408,55,468,470.39,3.411,5,0.266,0.62,1.0,0.5291018436022206,0.45336166129806044,0.6489102871633199,0.6417312041669523,0.5682762490576383
EOS-2-29117,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,ICQGEIUZJGCRRP-UHFFFAOYSA-N,2,1,0.489,27,51,470.39,3.719,5,0.361,0.65,1.0,0.6936553354807758,0.7399766979644986,0.8925536289493523,0.8114505517099582,0.7844090535261463
EOS-2-29118,Fc1cc(-c2nnco2)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,UAIFYGZXTPAMCI-UHFFFAOYSA-N,2,1,0.459,41,722,470.399,4.369,6,0.362,0.7,1.0,0.8504557604002467,0.7532554314303338,0.7057518333219107,0.647488177643753,0.7392378006990611
EOS-2-29119,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5nnc6ccnc(F)c6n5)nc4)n23)c1,XGSVXTFRBXRQDJ-UHFFFAOYSA-N,2,1,0.418,55,283,470.403,2.839,6,0.347,0.66,1.0,0.7633472688643684,0.7304759783428141,0.33054622712631077,0.38073127270235074,0.551275186758961
EOS-2-29120,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnc(F)cn6)cn5)n34)c(F)c2)o1,DIIQEWJQLNEJSC-UHFFFAOYSA-N,2,1,0.382,86,443,470.403,3.342,6,0.378,0.7,1.0,0.31838976081145914,0.4445462956617093,0.35678671783976423,0.36795798780069905,0.37192019052840797
EOS-2-29121,Cc1ncc(-c2nnc3cncc(-c4cnn(-c5ncc(F)cn5)c4)n23)c(-c2ncc(F)cn2)n1,MPOMERFAOSXIML-UHFFFAOYSA-N,2,1,0.245,86,249,470.407,2.268,6,0.377,0.63,0.999,0.0355013364402714,0.10215201151394696,0.08585772051264479,0.11484819409224864,0.08458981563977794
EOS-2-29122,COc1nc(-c2nnc3cncc(Oc4cccc(-c5ncno5)n4)n23)ccc1-c1noc(C)n1,CHJAJGVCECMSAJ-UHFFFAOYSA-N,2,1,0.324,6,896,470.409,2.791,6,0.349,0.53,0.998,0.41051847028990474,0.15800836131862106,0.0312949763552875,0.011856623946268248,0.1529196079775204
EOS-2-29123,COc1nc(-c2nnc3cncc(Oc4ccc(-c5nnco5)nc4)n23)ccc1-c1noc(C)n1,UPFYUHQSWBPYEG-UHFFFAOYSA-N,2,1,0.337,6,870,470.409,2.791,6,0.349,0.5,0.748,0.3703738605989994,0.15801692824343774,0.0392279487355219,0.017802069769035707,0.14635520183674872
EOS-2-29124,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)o4)n23)cc1O,XNGGDBVUOGUSKL-UHFFFAOYSA-N,2,1,0.458,27,448,470.411,4.571,5,0.388,0.59,0.999,0.6393752998423686,0.6582996367623878,0.9381810705229251,0.8070385854293742,0.760723648139264
EOS-2-29125,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c(F)c1F,INWMVHHAQOWAPK-UHFFFAOYSA-N,2,1,0.346,93,689,470.418,4.518,6,0.352,0.77,0.999,0.12219004866013296,0.41324275238160507,0.7770029470221369,0.8593567952847646,0.54294813583716
EOS-2-29126,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6F)c5)n34)cn2)cn1,MKSFKDIIGALSLF-UHFFFAOYSA-N,2,1,0.289,10,673,470.418,4.518,6,0.352,0.75,0.897,0.03424199849222123,0.32685388253032693,0.892562195874169,0.89983551504352,0.5383733979850593
EOS-2-29127,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(F)cc(F)n6)nn5)n34)cc2)cc1,HYICBRCRRCIPPZ-UHFFFAOYSA-N,2,1,0.385,3,550,470.418,4.518,6,0.352,0.69,0.994,0.028219450346103764,0.3412548831471455,0.8396528682064286,0.8889897882256186,0.5245292474813241
EOS-2-29128,Fc1cc(F)cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)n6)c5)n34)nc2)c1,XWXINJHVWXBUPG-UHFFFAOYSA-N,2,1,0.295,10,664,470.418,4.518,6,0.352,0.76,1.0,0.018487423754369132,0.182586868617641,0.8493334932492632,0.8763707079706669,0.481694623397985
EOS-2-29129,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)c(F)c6)n5)n34)nc2)c1,JDANIRMAFHPVKN-UHFFFAOYSA-N,2,1,0.3,3,118,470.418,4.518,6,0.377,0.69,0.898,0.029316016722637242,0.2712117058460695,0.8313772188335276,0.8834212870947844,0.5038315571242546
EOS-2-29130,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)c(F)c6)n5)n34)cn2)cc1,TYRBGRAXFOGZLM-UHFFFAOYSA-N,2,1,0.324,3,118,470.418,4.518,6,0.377,0.82,0.858,0.07783907888424371,0.38009732026591736,0.8443818107052292,0.8863511753820849,0.5471673463093688
EOS-2-29131,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(F)c1F,ZERVACJLMMCVSR-UHFFFAOYSA-N,2,1,0.295,9,834,470.418,4.723,6,0.375,0.69,1.0,0.3357977520389281,0.43592796929614147,0.8867538208484682,0.8916455349187855,0.6375312692755808
EOS-2-29132,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cc5F)n34)n2)c1,LUPXWHDXWZMWNB-UHFFFAOYSA-N,2,1,0.311,3,118,470.418,4.518,6,0.377,0.66,0.999,0.053594681653073815,0.31742169830717565,0.8183640600370091,0.8737749297512165,0.5157888424371188
EOS-2-29133,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cc(F)cc(-c6ncccc6F)c5)n34)n2)cc1,VEAHZXYZDYMULN-UHFFFAOYSA-N,2,1,0.318,3,118,470.418,4.518,6,0.377,0.66,1.0,0.033076896717154414,0.2506082516619834,0.8029093276677404,0.8609930779247481,0.4868968884929066
EOS-2-29134,Fc1cc(F)c(F)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)c1,GEWVLONDRBXMRQ-UHFFFAOYSA-N,2,1,0.27,30,783,470.418,4.518,6,0.352,0.72,0.938,0.038491193201288465,0.18693886642450827,0.8330820368720444,0.8806627373038174,0.48479370845041464
EOS-2-29135,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)cc6F)n5)n34)cc2)c1,LBPODIQGMYIFNP-UHFFFAOYSA-N,2,1,0.366,3,689,470.418,4.518,6,0.377,0.74,1.0,0.10139812213008019,0.43127612912069085,0.7816376533479542,0.8778013844150504,0.5480283222534439
EOS-2-29136,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6F)c5)n34)cn2)nc1,XLIYMEVWHJYQJA-UHFFFAOYSA-N,2,1,0.302,10,673,470.418,4.518,6,0.377,0.7,0.978,0.037000548283188266,0.3223048454526763,0.8645055170995819,0.8863597423069015,0.527542663285587
EOS-2-29137,Cc1onnc1-c1nc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)ccc1F,IJZNDYVANWFZBA-UHFFFAOYSA-N,2,1,0.5,81,120,470.424,3.918,6,0.353,0.69,1.0,0.6081488588856144,0.6681773010760057,0.2571619491467343,0.2412189020629155,0.44367675279281743
EOS-2-29138,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccc(F)c6)no5)n34)cc2)n1,KJEPKWZZZFTSSR-UHFFFAOYSA-N,2,1,0.489,40,857,470.424,3.918,6,0.353,0.79,1.0,0.6481392639298198,0.6200397505311493,0.24647042697553287,0.2469673086148996,0.44040418751285043
EOS-2-29139,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5F)n34)cc2)n1,ACOUXKIDORRKOX-UHFFFAOYSA-N,2,1,0.506,67,245,470.428,2.75,6,0.357,0.63,1.0,0.7091443355493112,0.5110684668631348,0.3158882187649921,0.28884243711877183,0.45623586457405246
EOS-2-29140,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)nc2F)no1,SNYSTTIYMNFFGJ-UHFFFAOYSA-N,2,1,0.567,6,104,470.428,2.844,6,0.334,0.55,1.0,0.20247926804194366,0.25061681858680007,0.08828216023576177,0.09513570008909601,0.15912848673840038
EOS-2-29141,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cn5)n34)c2)no1,JHUGSUUNAMHYKR-UHFFFAOYSA-N,2,1,0.551,4,547,470.428,2.844,6,0.357,0.73,1.0,0.2569563429511343,0.2867606743883216,0.25011993694743334,0.21787403193749572,0.25292774655609623
EOS-2-29142,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nn4)n23)cc1F,LEQMUHOTENLKQN-UHFFFAOYSA-N,2,1,0.478,71,117,470.428,2.75,6,0.357,0.61,0.999,0.5570814200534576,0.44455486258652593,0.2868720444109383,0.2622421355630183,0.38768761565348503
EOS-2-29143,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)no1,NDDMCVOZZXLTSO-UHFFFAOYSA-N,2,1,0.438,6,219,470.428,2.75,6,0.357,0.69,1.0,0.35896271674319785,0.3990045233363032,0.1454920841614694,0.20911863477486123,0.2781444897539579
EOS-2-29144,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)ccc1F,UXLOLTMQDDSHAA-UHFFFAOYSA-N,2,1,0.464,81,218,470.428,2.75,6,0.357,0.65,0.77,0.4126345007196217,0.4622798300322116,0.2608885614419848,0.24697587553971626,0.3456946919333836
EOS-2-29145,Cn1cc(-c2nnc3cncc(OCc4cnc(-c5conn5)cn4)n23)c(-c2ccc(F)cc2)n1,HEKHSYDQIAMXHC-UHFFFAOYSA-N,2,1,0.441,71,843,470.428,2.75,6,0.357,0.62,1.0,0.3589712836680145,0.380105887190734,0.21770269344116236,0.23846035227194845,0.2988100541429648
EOS-2-29146,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5nnco5)cn4)n23)cc1,DTOOSPTYRWIGQS-UHFFFAOYSA-N,2,1,0.489,71,415,470.428,2.75,6,0.357,0.66,1.0,0.5364693989445548,0.4312846960455075,0.25717051607155095,0.22656946062641353,0.36287351792200667
EOS-2-29147,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nc5)n34)nc2F)n1,NKOXVJDZEGMVAE-UHFFFAOYSA-N,2,1,0.398,6,826,470.428,2.75,6,0.334,0.57,0.998,0.4956137344938661,0.34645500651086286,0.2394883832499486,0.18926050304982522,0.31770440682612566
EOS-2-29148,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnco5)n4)n23)cn1,BLAVUSJNELAAKA-UHFFFAOYSA-N,2,1,0.433,6,843,470.428,2.75,6,0.357,0.62,0.999,0.5057569734768008,0.4533702282228771,0.15172880542800357,0.13456925502021794,0.31135631553697485
EOS-2-29149,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)cc1F,BHMJSTQTOAHBMF-UHFFFAOYSA-N,2,1,0.495,56,8,470.428,2.75,6,0.357,0.56,1.0,0.6604413679665547,0.5110770337879514,0.25012850387225,0.22657802755123022,0.4120562332944966
EOS-2-29150,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(F)cn5)o4)n23)cc1,AIADVZQFVGSRNZ-UHFFFAOYSA-N,2,1,0.452,67,415,470.428,2.75,6,0.357,0.62,1.0,0.642125282708519,0.4931378932218491,0.1364968131039682,0.14656294976355289,0.35458073469947227
EOS-2-29151,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cocn6)nn5)n34)nc2F)n1,AXSFNXFMLUJFTL-UHFFFAOYSA-N,2,1,0.388,6,826,470.428,2.75,6,0.334,0.59,0.999,0.41493043657048867,0.3561356315536975,0.19349256390925912,0.1620433829072716,0.2816505037351792
EOS-2-29152,Cn1c(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5)n34)n2)cnc1-c1nnco1,HXQFPGDCZXFHAF-UHFFFAOYSA-N,2,1,0.5,71,212,470.428,2.75,6,0.357,0.57,1.0,0.6697707490919059,0.6155506819272154,0.14550065108628607,0.17270063737920635,0.40088067987115344
EOS-2-29153,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnco5)cn4)n23)c(F)c1,XWYDXPLNSQFVMZ-UHFFFAOYSA-N,2,1,0.467,56,350,470.428,2.75,6,0.357,0.6,1.0,0.5626242204098417,0.5252038928106367,0.2571790829963676,0.23248063874991434,0.39437195874169007
EOS-2-29154,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5conn5)cn4)n23)cc1F,ADMGNNACHYUBON-UHFFFAOYSA-N,2,1,0.457,80,843,470.428,2.75,6,0.357,0.59,1.0,0.4882975807004318,0.47510451648276336,0.26808477828798577,0.24426016037283257,0.36893675896100336
EOS-2-29155,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)cc1,VHRILTPJEXZYBO-UHFFFAOYSA-N,2,1,0.517,67,245,470.428,2.75,6,0.357,0.71,1.0,0.684882804468508,0.529632992940854,0.3158967856898088,0.3073469947227743,0.4594398944554863
EOS-2-29156,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)cc1F,VVHFHKHVWSJQHF-UHFFFAOYSA-N,2,1,0.489,71,218,470.428,2.75,6,0.357,0.63,1.0,0.5792954561030772,0.5071191145226509,0.21115756288122817,0.2002347337399767,0.37445171681173317
EOS-2-29157,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(-c5ccon5)nn4)n23)ccc1F,LGBLCFQCJNHWHV-UHFFFAOYSA-N,2,1,0.468,71,826,470.428,2.75,6,0.357,0.62,0.991,0.47592694126516344,0.4884003837982318,0.26429819751901856,0.26225070248783494,0.3727190562675622
EOS-2-29158,Cn1nc(-c2ncc(F)cn2)nc1COc1cncc2nnc(-c3ccc(-c4ccco4)nc3)n12,OMQPSTUTPYSTKO-UHFFFAOYSA-N,2,1,0.419,80,34,470.428,2.75,6,0.357,0.72,0.992,0.5339935576725379,0.502424439723117,0.045310465355356044,0.05954869440065794,0.2853192892879172
EOS-2-29159,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)c(F)c5)n34)n2)cn1,JGJXUSIYQZYEGW-UHFFFAOYSA-N,2,1,0.429,56,399,470.432,1.88,6,0.382,0.7,1.0,0.4331351518059077,0.48380851209649783,0.21430162428894525,0.19458056336097596,0.3314564628880817
EOS-2-29160,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nncn6C)cc5F)n34)cn2)n1,COVCUEUSOHHYIL-UHFFFAOYSA-N,2,1,0.426,99,765,470.432,2.104,6,0.368,0.7,1.0,0.397513878418203,0.47965355356041395,0.09757727366184635,0.10132958673154685,0.26901857309300253
EOS-2-29161,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5nnnn5-c5ccccc5)n34)cc2F)n1,NGIXMHFNLSFHMK-UHFFFAOYSA-N,2,1,0.456,36,807,470.432,1.676,6,0.353,0.69,1.0,0.4566770612021109,0.5342077307929546,0.04362278116647248,0.07302446713727641,0.27688301007470356
EOS-2-29162,Cn1nc(-c2nnnn2C)cc1Oc1cncc2nnc(-c3ccc(-c4ccc(F)nn4)cc3)n12,OLCYOSSHNPIFQK-UHFFFAOYSA-N,2,1,0.381,67,789,470.432,2.104,6,0.368,0.63,1.0,0.47593550818998015,0.5483088890411898,0.06786717839764238,0.07696525255294359,0.29226920704543896
EOS-2-29163,Cc1cc(-c2n[nH]c(=S)o2)ccc1-c1nnc2cncc(-c3cccc(OC(F)(F)F)c3)n12,MLEWQQBFOCITDD-UHFFFAOYSA-N,2,1,0.356,96,697,470.436,5.378,5,0.353,0.78,1.0,0.6393838667671853,0.6828267425125077,0.9341546158590912,0.8820334452744842,0.7845996676033171
EOS-2-29164,COc1nc(-c2nnc3cncc(Oc4ccccc4C(F)(F)F)n23)ccc1-c1cscn1,WCNZCQKYWIOJQJ-UHFFFAOYSA-N,2,1,0.409,49,703,470.436,5.13,5,0.352,0.76,1.0,0.7862123912000548,0.7166832293879789,0.9157956959769721,0.7963641971078061,0.803763878418203
EOS-2-29165,COc1cc(-c2nnc3cncc(Oc4c(F)cc(F)cc4F)n23)ccc1-c1nc(C)ns1,KFLQMQNHFWGDSA-UHFFFAOYSA-N,2,1,0.466,13,724,470.436,4.836,5,0.363,0.72,1.0,0.7275203892810637,0.6926358714275923,0.7678363374683024,0.6853282845589748,0.7183302206839832
EOS-2-29166,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5nncs5)c4)n23)cc1,HVXCCXBDAMWOIF-UHFFFAOYSA-N,2,1,0.633,1,431,470.436,4.787,5,0.353,0.75,1.0,0.9095589747104379,0.8855544513741347,0.9548780069906107,0.9045644575423206,0.913638972654376
EOS-2-29167,COc1nc(-c2nnc3cncc(OCc4cc(F)c(F)s4)n23)ccc1-c1ncccc1F,RQFPLVWLFCMIQP-UHFFFAOYSA-N,2,1,0.441,49,501,470.436,4.315,5,0.365,0.56,0.725,0.7061459118634775,0.6974761839490097,0.6766071550956069,0.612543691316565,0.6731932355561647
EOS-2-29168,N#Cc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)c1,AHQVGWLDUNTJIV-UHFFFAOYSA-N,2,1,0.712,1,640,470.439,4.905,5,0.333,0.84,1.0,0.9126087999451716,0.8882530326913851,0.9633935302583785,0.9432612569392091,0.9268791549585361
EOS-2-29169,COc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)ccc2F)cn1,QDMGRXHHYQNEOV-UHFFFAOYSA-N,2,1,0.541,43,230,470.439,4.591,5,0.358,0.72,1.0,0.9487612226715099,0.9211328901377561,0.957730792954561,0.9211243232129395,0.9371873072441915
EOS-2-29170,FC(F)(F)c1nc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)cs1,AEYYLOYEOKKJDV-UHFFFAOYSA-N,2,1,0.517,58,579,470.44,3.74,5,0.37,0.67,0.999,0.7182852443286958,0.7788277020080872,0.584898224933178,0.41216331985470495,0.6235436227811665
EOS-2-29171,FC(F)(F)c1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)s1,XTNOSMJFCNKZNN-UHFFFAOYSA-N,2,1,0.575,58,981,470.44,3.74,5,0.37,0.69,1.0,0.7335258035775478,0.7663885271742855,0.5689123432252758,0.415255979713522,0.6210206634226578
EOS-2-29172,Cn1c(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)nn2)csc1=N,GOTOCQSHLXJEJQ-UHFFFAOYSA-N,2,1,0.422,22,121,470.44,3.535,5,0.421,0.57,0.947,0.18579089849907476,0.440142896305942,0.6654444520594888,0.6417397710917689,0.48327950448906865
EOS-2-29173,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cc(F)c(-c6cnco6)cc5F)n34)nc2)n1C,FQUNQOQDVKKEJT-UHFFFAOYSA-N,2,1,0.317,42,287,470.443,4.495,6,0.374,0.61,1.0,0.36591905969433214,0.37538551161675004,0.7057604002467275,0.6587022822287711,0.5264418134466452
EOS-2-29174,FCCn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccno6)cc5F)n34)nc2)n1,SKDVZSGUBOSMNL-UHFFFAOYSA-N,2,1,0.295,42,572,470.443,4.48,6,0.354,0.66,0.984,0.24931464601466657,0.3268624494551436,0.5588290727160579,0.5693578233157426,0.42609099787540267
EOS-2-29175,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cc(F)cc(F)c6)n5C)n34)cc2)o1,YCMPRRSOXXJAMP-UHFFFAOYSA-N,2,1,0.377,3,474,470.443,4.495,6,0.374,0.62,1.0,0.20248783496676034,0.3753940785415667,0.5081385785758344,0.5627869919813584,0.41220187101637995
EOS-2-29176,Cn1cc(-c2nnc3cncc(OCc4ccc5ccccc5n4)n23)c(-c2cc(F)c(F)cn2)n1,HDZOZSUPHHYVNR-UHFFFAOYSA-N,2,1,0.439,4,891,470.443,3.992,6,0.376,0.65,1.0,0.4149390034953053,0.3845007196216846,0.5655883763964088,0.60006168185868,0.4912724453430196
EOS-2-29177,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccc(F)c(F)n5)n34)cc2)o1,DHGKTOPDZUVMGM-UHFFFAOYSA-N,2,1,0.318,3,303,470.443,4.495,6,0.35,0.66,0.997,0.23006476595161401,0.3655506819272154,0.6276728805428003,0.5879480501679117,0.45280909464738534
EOS-2-29178,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnn(C)c6)ccc5F)n34)c(F)c2)o1,QTNJMRZITQSLMZ-UHFFFAOYSA-N,2,1,0.329,3,424,470.443,4.495,6,0.374,0.7,1.0,0.259851963539168,0.38011445411555067,0.7317181824412309,0.7021194571996436,0.5184510143238983
EOS-2-29179,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nn(C)cc5-c5ncc(F)cc5F)n34)cc2)o1,NHQNIUXVRSEPDQ-UHFFFAOYSA-N,2,1,0.299,42,303,470.443,4.495,6,0.374,0.68,1.0,0.30789527791104104,0.39901309026111986,0.5849067918579947,0.5693663902405592,0.4652953875676787
EOS-2-29180,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4c(-c5ccccc5)noc4C(F)F)n23)c1,UFPKSQYKWNKRFJ-UHFFFAOYSA-N,2,1,0.325,30,220,470.443,4.846,6,0.355,0.67,1.0,0.12780138441505037,0.17426838462065658,0.5353299979439381,0.5529435953670071,0.34758584058666303
EOS-2-29181,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)c(F)c2)n1C,STOCTGPXFOPIKT-UHFFFAOYSA-N,2,1,0.325,61,7,470.447,3.626,6,0.418,0.59,1.0,0.20528921938181072,0.29711808649167293,0.43031663354122407,0.46901343293811254,0.3504343430882051
EOS-2-29182,Cn1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)c1C(F)F,CRGCOKSIEJEZDS-UHFFFAOYSA-N,2,1,0.299,98,154,470.447,3.977,6,0.405,0.56,0.995,0.0939705983140292,0.1957113974367761,0.3757196216846001,0.3904804331437187,0.263970512644781
EOS-2-29183,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncncc4-c4cnn(C(F)F)c4)n23)cc1,KUFWOIJYNMAZGU-UHFFFAOYSA-N,2,1,0.287,42,42,470.447,3.907,6,0.376,0.68,1.0,0.15001542046467,0.19106812418614214,0.6129634706325817,0.5334452744842711,0.37187307244191625
EOS-2-29184,Cc1ccc(F)cc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4F)n23)nn1,BGWIGQDOVPUQRN-UHFFFAOYSA-N,2,1,0.314,10,39,470.447,3.421,6,0.389,0.66,1.0,0.035509903365088066,0.23509355081899802,0.4663919539442122,0.4993317798642999,0.3090817969981495
EOS-2-29185,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5n[nH]c(=N)o5)cc4)n23)n(C)n1,LWXSPMVYGLBRIQ-UHFFFAOYSA-N,2,1,0.333,67,789,470.457,2.058,6,0.37,0.59,1.0,0.37972037557398397,0.24068775272428208,0.026771640052086904,0.013338701939551778,0.16512961757247618
EOS-2-29186,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6noc(C)n6)nn5C)n34)nc2)n[nH]1,YKADCHHTIPLIQB-UHFFFAOYSA-N,2,1,0.346,7,662,470.457,1.951,6,0.378,0.66,0.858,0.22453909944486328,0.20040607223631005,0.01110273456240148,0.0041121239120005485,0.11004000753889383
EOS-2-29187,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6F)s5)n34)nc2)nc1,GIQIVUBRPISWHK-UHFFFAOYSA-N,2,1,0.338,32,541,470.468,4.712,6,0.368,0.72,0.998,0.15002398738948666,0.35614419847851414,0.49384894798163254,0.6125522582413817,0.4031423480227537
EOS-2-29188,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5F)n34)s2)nn1,IVXAVRXMIOAHNX-UHFFFAOYSA-N,2,1,0.354,32,750,470.468,4.712,6,0.368,0.68,0.66,0.2922777739702556,0.4665118908916455,0.607155095606881,0.6763244465766568,0.5105673017613597
EOS-2-29189,Fc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5F)n34)n2)nn1,UKERUNSSCNDLOB-UHFFFAOYSA-N,2,1,0.35,32,126,470.468,4.712,6,0.368,0.66,1.0,0.23844321842231514,0.3990216571859365,0.5849153587828113,0.6269189911589336,0.4623248063874992
EOS-2-29190,Fc1cccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5nccc(F)n5)cn4)n23)c1,UMALDVAGBPQRIH-UHFFFAOYSA-N,2,1,0.366,32,20,470.468,4.712,6,0.344,0.7,1.0,0.24655609622369953,0.3561527654033308,0.49730141868274963,0.5942704406826126,0.4235701802480981
EOS-2-29191,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)cc1F,IOZYJYHLUJWPGI-UHFFFAOYSA-N,2,1,0.329,32,443,470.468,4.712,6,0.368,0.75,1.0,0.25986053046398466,0.4038020012336372,0.6738314714550065,0.6908882187649921,0.5070955554794051
EOS-2-29192,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)cc2)cnc1F,KNIGSGSKPYHLPE-UHFFFAOYSA-N,2,1,0.325,38,572,470.468,4.712,6,0.344,0.76,1.0,0.1580768967171544,0.30712425467754095,0.7794273867452539,0.7916866561579056,0.5090787985744637
EOS-2-29193,Fc1nc(C2CCCO2)ccc1-c1nnc2cncc(OCc3ccc(-c4ncccn4)cn3)n12,WUMOPBBNJUBKCZ-UHFFFAOYSA-N,2,1,0.468,4,205,470.468,3.608,6,0.343,0.67,0.962,0.6665324515112055,0.5869628538139949,0.1770783359605236,0.21232266465629498,0.4107240764855048
EOS-2-29194,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncs6)cn5)n34)cc2)cc1F,ARPRZYUKANSRSI-UHFFFAOYSA-N,2,1,0.329,42,72,470.468,4.712,6,0.368,0.72,1.0,0.3133695428688918,0.4359365362209581,0.7317267493660475,0.7477211979987664,0.5571885066136659
EOS-2-29195,N#Cc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)c2)cc1F,LWHZSCJWFWQGET-UHFFFAOYSA-N,2,1,0.322,69,645,470.471,4.988,6,0.357,0.65,1.0,0.444734768007676,0.5071276814474677,0.8715389623740663,0.8610016448495648,0.6711007641696937
EOS-2-29196,N#Cc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)nc2)c1,UMHUXFGTVZPTSF-UHFFFAOYSA-N,2,1,0.372,41,30,470.471,4.988,6,0.357,0.82,1.0,0.34749160441367966,0.5622130080186416,0.8673754369131657,0.8863683092317182,0.6658620896443013
EOS-2-29197,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnn(C)n6)nn5C)n34)c(F)c2)n1C,KPXNEUPPXLNUHT-UHFFFAOYSA-N,2,1,0.321,99,765,470.476,2.23,6,0.384,0.56,1.0,0.12219861558494963,0.26600301555753547,0.05241244602837365,0.05242957987800699,0.12326091426221643
EOS-2-29198,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)ns5)n34)cn2)o1,TYEMKCICQPYNJU-UHFFFAOYSA-N,2,1,0.415,6,843,470.478,3.037,6,0.354,0.76,1.0,0.3475001713384963,0.3464635734356795,0.024655609622369953,0.0209975327256528,0.1849042217805496
EOS-2-29199,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cn2)s1,PXMCIRDCYPEMGJ-UHFFFAOYSA-N,2,1,0.432,81,218,470.478,3.037,6,0.354,0.71,0.987,0.3381450894386951,0.33144575423206085,0.04071002672880543,0.0317747241450209,0.18551889863614557
EOS-2-29200,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6csnn6)cn5)n34)cc2)no1,KOGNZGCFAXYFFR-UHFFFAOYSA-N,2,1,0.433,56,197,470.478,3.037,6,0.354,0.71,1.0,0.3888098828044685,0.3464721403604962,0.07227057775340964,0.05653313686519087,0.21602143444589128
EOS-2-29201,COc1ccccc1-c1ncsc1-c1cncc2nnc(-c3ccc(-c4cocn4)cc3F)n12,ICKGEGXBHHTBRQ-UHFFFAOYSA-N,2,1,0.4,69,484,470.489,5.385,6,0.334,0.62,1.0,0.5156860393393188,0.5387310670961551,0.6429905421150024,0.6125608251661984,0.5774921184291687
EOS-2-29202,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)ccc1-c1nnco1,WETKBQGDXFQZST-UHFFFAOYSA-N,2,1,0.542,77,190,470.489,5.288,6,0.327,0.71,1.0,0.8639058323624151,0.7027105750119937,0.7920978685491056,0.7682304160098691,0.7817361729833459
EOS-2-29203,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cccs4)cc3F)n12,RGTCIOZDUNYFGO-UHFFFAOYSA-N,2,1,0.319,3,923,470.489,5.385,6,0.334,0.64,1.0,0.6450723048454526,0.6155592488520321,0.7517904872866835,0.6992752381605098,0.6779243197861695
EOS-2-29204,Cc1cncc(-c2cccc(-c3nnc4cncc(OCCc5csc(C)n5)n34)c2)n1,KGKFACFXWDRPAU-UHFFFAOYSA-N,2,1,0.511,15,796,429.509,3.943,5,0.404,0.76,1.0,0.5156946062641354,0.42225515728873964,0.15173737235282023,0.12171886779521623,0.30285150092522783
EOS-2-29205,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)cc(F)n2)o1,SRJRVGCYQAGYNR-UHFFFAOYSA-N,2,1,0.309,9,532,470.493,4.783,6,0.339,0.66,1.0,0.24656466314851622,0.3464807072853129,0.3196062641354259,0.3042372010143239,0.30422220889589474
EOS-2-29206,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(C)cn5)c(CO)n4)n23)n1,ZRNFUKDVZRDTQQ-UHFFFAOYSA-N,2,1,0.396,31,690,470.493,2.469,5,0.36,0.57,0.99,0.3797289424988006,0.1825954355424577,0.11923445959838257,0.05654170379000754,0.1845251353574121
EOS-2-29207,Fc1cncc(-n2nccc2COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,WNWBEKPQPMQGLT-UHFFFAOYSA-N,2,1,0.457,40,120,470.493,4.214,6,0.36,0.64,1.0,0.3996127749982866,0.4222637242135563,0.5187272976492359,0.4993403467891166,0.45998603591254883
EOS-2-29208,COc1ncc(-c2nnc3cncc(OCc4ccnc(C)c4C)n23)cc1-c1cnn(C)c(=O)c1,FGJYBJFHKPWILE-UHFFFAOYSA-N,2,1,0.394,92,657,470.493,2.546,5,0.368,0.57,0.999,0.2894849564800219,0.12141045850181618,0.20396991296004385,0.08046055787814406,0.17383147145500652
EOS-2-29209,Cc1nc(-c2ccc(-c3cncc4nnc(-c5sc(C)nc5-c5cccc(F)c5)n34)nc2)no1,MNBLGNKNFITREE-UHFFFAOYSA-N,2,1,0.337,32,693,470.493,4.783,6,0.362,0.73,1.0,0.24932321293948323,0.3845092865465013,0.16742341169213898,0.22347680076759646,0.25618317798643
EOS-2-29210,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nnc(C)s6)cc5F)n34)c2)o1,VVLJKAPRTRXHOY-UHFFFAOYSA-N,2,1,0.389,3,598,470.493,4.783,6,0.362,0.69,1.0,0.2784250565417038,0.42227229113837295,0.304905421150024,0.3196062641354259,0.3313022582413817
EOS-2-29211,COc1cc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1ccc(C)cn1,LOVZUBPWHLOUMO-UHFFFAOYSA-N,2,1,0.586,89,61,429.505,4.811,5,0.386,0.76,1.0,0.45668562812692753,0.39903022411075323,0.5912463162223288,0.4344544582276746,0.47035415667192104
EOS-2-29212,COc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1ccncc1,CNAVWTFUBHWOHJ-UHFFFAOYSA-N,2,1,0.571,35,103,429.505,4.545,5,0.378,0.74,1.0,0.5495596600644232,0.3801230210403673,0.6304571311082174,0.5132615996162018,0.5183503529573024
EOS-2-29213,Cc1nc(-c2cnc(F)cn2)c(-c2nnc3cncc(-c4cccc(-c5nncn5C)c4)n23)s1,VKBSGZHOEBSWOF-UHFFFAOYSA-N,2,1,0.318,98,314,470.497,3.615,6,0.384,0.57,1.0,0.06583681721609211,0.18260400246727435,0.09285689808786238,0.13253889383866768,0.11845915290247414
EOS-2-29214,Cc1nnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)n2C)s1,OFQZJGIPLONURS-UHFFFAOYSA-N,2,1,0.325,8,474,470.497,3.615,6,0.384,0.69,0.995,0.13622267150983483,0.2660115824823521,0.0407185936536221,0.0971660612706463,0.13502972722911383
EOS-2-29215,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5F)n34)cc2)cs1,NJULWWFEXYDTDM-UHFFFAOYSA-N,2,1,0.329,98,193,470.497,3.615,6,0.359,0.74,1.0,0.18013672812007403,0.2921321362483723,0.15786272359673773,0.17529641559865672,0.2013570008909602
EOS-2-29216,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5F)n34)cn2)s1,NFMUXAOMOMPECK-UHFFFAOYSA-N,2,1,0.31,98,424,470.497,3.615,6,0.384,0.66,1.0,0.17428551847028992,0.30194126516345693,0.16118669042560482,0.1892690699746419,0.2066706360084984
EOS-2-29217,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc7ncccn67)c5)n34)cc2)n1,RBRAAUYMKROHMI-UHFFFAOYSA-N,2,1,0.293,9,598,470.5,3.964,7,0.383,0.65,1.0,0.09648070728531287,0.042474813241038994,0.31961483106024263,0.3647539579192653,0.20583107737646494
EOS-2-29218,Cc1c(-c2nnc3cncc(-c4cc(-c5cc(C#N)ccn5)ncn4)n23)c(-c2ccccc2)nn1C,QXWRURDTEGPIAB-UHFFFAOYSA-N,2,1,0.282,76,566,470.5,3.891,6,0.38,0.5,1.0,0.02822801727092043,0.07265608937015969,0.2571876499211843,0.2946079775203893,0.16316993352066345
EOS-2-29219,c1nnc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccsc6)s5)n34)cc2)o1,SDOUOYLLYRKNPY-UHFFFAOYSA-N,2,1,0.311,38,725,429.49,4.693,6,0.401,0.48,1.0,0.13866424508258515,0.1657185936536221,0.2716914536358029,0.30424576793914054,0.22008001507778768
EOS-2-29220,c1coc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cncs6)s5)n34)cc2)c1,FPFQNUOHGOXGQP-UHFFFAOYSA-N,2,1,0.311,38,787,429.49,4.693,6,0.401,0.56,1.0,0.07784764580906038,0.13906689054896854,0.17401994380097321,0.2589353025837845,0.16246744568569665
EOS-2-29221,CCn1cc(CCOc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4)n23)c(C)n1,CIKKLGPKVXWFAU-UHFFFAOYSA-N,2,1,0.518,15,460,429.488,2.733,5,0.392,0.63,1.0,0.2190991021862792,0.14634877664313617,0.05984853676924131,0.0407185936536221,0.1165037523130697
EOS-2-29222,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)nc2)cc1,VHPIAGZNSVMNQI-UHFFFAOYSA-N,2,1,0.312,69,818,429.487,5.219,6,0.415,0.81,1.0,0.08917312041669523,0.10889418134466453,0.7344338976081146,0.7158436707559455,0.412086217531355
EOS-2-29223,Cn1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)c(-c2ccccc2)n1,GHRUBTNZVJXPDJ-UHFFFAOYSA-N,2,1,0.333,30,220,429.487,4.921,6,0.398,0.71,1.0,0.037009115208004935,0.042483380165855664,0.5081471455006511,0.572416215475293,0.29001396408745117
EOS-2-29224,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)n1,XZMALJFVIFXNOP-UHFFFAOYSA-N,2,1,0.373,93,651,429.487,4.921,6,0.398,0.78,1.0,0.11126721951888151,0.08652594064834487,0.657417243506271,0.6617435405386882,0.3792384860530464
EOS-2-29225,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)[nH]1,JXJLJVHCGSTDJY-UHFFFAOYSA-N,2,1,0.366,93,651,429.487,5.219,6,0.415,0.79,1.0,0.1222071825097663,0.09600095949557946,0.7006973476800767,0.6964824206702762,0.4038469775889247
EOS-2-29226,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,VSFQOKHMTKEKEK-UHFFFAOYSA-N,2,1,0.362,69,220,429.487,4.921,6,0.398,0.75,1.0,0.09397916523884586,0.0462528270851895,0.6792457679391406,0.6674576793914057,0.3717338599136454
EOS-2-29227,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,HPDCLTBZTZDCLU-UHFFFAOYSA-N,2,1,0.337,93,689,429.487,5.014,6,0.394,0.74,1.0,0.022582413816736344,0.05356041395380714,0.5557963813309574,0.6028887670481804,0.3087069940374203
EOS-2-29228,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,KLKQGDJECKFRCE-UHFFFAOYSA-N,2,1,0.348,69,898,429.487,4.921,6,0.398,0.72,1.0,0.16344835857720513,0.06528853402782538,0.6489188540881365,0.6328987046809678,0.3776386128435337
EOS-2-29229,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)cn1,FSPPURHRMXSOQJ-UHFFFAOYSA-N,2,1,0.373,93,651,429.487,4.921,6,0.398,0.84,1.0,0.0891816873415119,0.07967240079501062,0.7159636077033787,0.7158522376807621,0.40016748338016583
EOS-2-29230,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)n1,LWSUQGSJRMXZRQ-UHFFFAOYSA-N,2,1,0.303,69,898,429.487,5.219,6,0.415,0.77,1.0,0.15268830100747036,0.13531457747926803,0.7215578096086629,0.6964909875950929,0.42651291892262355
EOS-2-29231,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)cn1,VNMUSWQMZVXYMQ-UHFFFAOYSA-N,2,1,0.307,69,220,429.487,4.921,6,0.398,0.71,1.0,0.0822596120896443,0.05356898087862381,0.7265180590775135,0.7105321773696114,0.39321970735384826
EOS-2-29232,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)cc1,RGIXIGFOBBYDOM-UHFFFAOYSA-N,2,1,0.352,69,220,429.487,4.921,6,0.398,0.72,1.0,0.17703550133644028,0.049730998560756634,0.5422006716469057,0.5693749571653759,0.33458553217736964
EOS-2-29233,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,FMVSXVORQAORRS-UHFFFAOYSA-N,2,1,0.357,69,220,429.487,4.921,6,0.398,0.78,1.0,0.15269686793228704,0.07266465629497636,0.6129720375573984,0.6183434994174491,0.36416926530052773
EOS-2-29234,Cc1c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nnn1-c1ccccc1,RAVCCDHWMRHXCY-UHFFFAOYSA-N,2,1,0.361,93,991,429.487,5.014,6,0.394,0.76,1.0,0.010340278253718046,0.06899801247344253,0.4049585360838873,0.5261890891645535,0.25262147899390036
EOS-2-29235,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cn1,MDBSASCSMHLOPW-UHFFFAOYSA-N,2,1,0.368,93,987,429.487,4.921,6,0.398,0.83,1.0,0.08661160989651155,0.08965286820642862,0.7134192310328284,0.710540744294428,0.40005611335754915
EOS-2-29236,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,RUAMJDWXFOXJPR-UHFFFAOYSA-N,2,1,0.388,93,810,429.487,4.921,6,0.398,0.8,1.0,0.1634569255020218,0.07621136316907683,0.6248971969022,0.6732917551915565,0.3844643101912138
EOS-2-29237,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,LHQZMPNYWUWUJV-UHFFFAOYSA-N,2,1,0.373,93,651,429.487,4.921,6,0.398,0.82,1.0,0.11430847782879858,0.0762199300938935,0.6709187170173394,0.6763330135014735,0.38444503461037627
EOS-2-29238,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)cc1,BFJIJTQEQFJFQQ-UHFFFAOYSA-N,2,1,0.388,93,651,429.487,4.921,6,0.398,0.77,1.0,0.1607412103351381,0.06117641011582482,0.6221043794119663,0.6269275580837502,0.3677373894866699
EOS-2-29239,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)cn1,ZDNPQQKAUXLPKM-UHFFFAOYSA-N,2,1,0.357,93,987,429.487,4.921,6,0.398,0.79,1.0,0.06416626687684189,0.07267322321979303,0.7187992598176959,0.7046467000205606,0.39007136248372287
EOS-2-29240,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)nn1,XWNCBEQKQPSZAP-UHFFFAOYSA-N,2,1,0.368,93,810,429.487,4.921,6,0.398,0.87,1.0,0.07785621273387705,0.07968096771982729,0.6654530189843054,0.7046552669453773,0.3819113665958468
EOS-2-29241,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)c1-c1ccccc1,JMWATGXLYJSHSM-UHFFFAOYSA-N,2,1,0.353,30,220,429.487,4.921,6,0.398,0.68,1.0,0.04887430607908985,0.04249194709067233,0.5187358645740525,0.5879566170927284,0.2995146837091358
EOS-2-29242,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)n1,AGEVBXPHHJNNLK-UHFFFAOYSA-N,2,1,0.333,93,68,429.487,5.014,6,0.394,0.83,1.0,0.008284216297717771,0.0726817901446097,0.6161503666643822,0.6269361250085669,0.33101312452881915
EOS-2-29243,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)cc2)n[nH]1,ORPWIMGODUMDCH-UHFFFAOYSA-N,2,1,0.311,69,898,429.487,5.219,6,0.415,0.7,1.0,0.11700705914604893,0.1426992666712357,0.7032845589747104,0.6879240627784251,0.41272873689260503
EOS-2-29244,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)n1,YNQHBGOPLZZFBB-UHFFFAOYSA-N,2,1,0.329,69,898,429.487,4.921,6,0.398,0.76,1.0,0.06986327187992598,0.06529710095264205,0.684497292851758,0.664639161126722,0.371074206702762
EOS-2-29245,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,ZLXXZKWVKKCABY-UHFFFAOYSA-N,2,1,0.382,93,651,429.487,4.921,6,0.398,0.79,1.0,0.17150126790487286,0.0690065793982592,0.5252724282091701,0.562795558906175,0.3321439586046193
EOS-2-29246,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn[nH]c6)cc5)n34)cn2)cc1,OSCXZTQZSTULQG-UHFFFAOYSA-N,2,1,0.298,69,898,429.487,5.219,6,0.415,0.74,1.0,0.09869097388801316,0.14270783359605235,0.7921064354739222,0.7803783153999041,0.453470889589473
EOS-2-29247,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,FKKIDXXVDBQJOT-UHFFFAOYSA-N,2,1,0.349,69,220,429.487,4.921,6,0.398,0.86,1.0,0.13623123843465149,0.05737269549722432,0.687255842642725,0.6853368514837914,0.391549157014598
EOS-2-29248,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc6ccccc6n5)n34)cc2)cc1,UDJZROGHYQGCEI-UHFFFAOYSA-N,2,1,0.554,12,47,429.483,5.586,6,0.358,0.85,1.0,0.6635939962990884,0.6583082036872044,0.7816462202727709,0.8070471523541909,0.7276488931533137
EOS-2-29249,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)o1,BVVHXWLOJOBAGA-UHFFFAOYSA-N,2,1,0.385,21,810,429.483,6.089,6,0.339,0.8,1.0,0.28115790555822084,0.19107669111095882,0.8240781988897266,0.8137893221849085,0.5275255294359537
EOS-2-29250,Cc1cc(-c2ccoc2)ccc1-c1cncc2nnc(-c3cccnc3-c3ccccc3)n12,FUERIRAMUBTKLO-UHFFFAOYSA-N,2,1,0.323,69,220,429.483,6.089,6,0.339,0.72,1.0,0.12221574943458297,0.07269035706942636,0.7746213419231033,0.7916952230827222,0.44030566787745873
EOS-2-29251,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnc5ccccc5c4)n23)cc1,RNOITSBOQAXNRC-UHFFFAOYSA-N,2,1,0.368,93,107,429.483,5.682,6,0.361,0.84,1.0,0.2811664724830375,0.20986395723391132,0.8459666917963128,0.8338016585566445,0.5426996950174765
EOS-2-29252,O=C(c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)cn1)N1CCC1,PBZSQFFDJHJYMZ-UHFFFAOYSA-N,2,1,0.454,7,205,470.518,3.13,6,0.372,0.78,1.0,0.24657323007333287,0.16972791446782262,0.0030583921595504077,0.005517099581934069,0.10621915907066
EOS-2-29253,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnoc6C)s5)n34)cc2)n[nH]1,JZPMCYROQHEGCA-UHFFFAOYSA-N,2,1,0.443,81,609,470.518,4.489,6,0.378,0.65,1.0,0.40596943321225415,0.4359451031457748,0.21116612980604482,0.17270920430402303,0.3064474676170242
EOS-2-29254,Cn1cc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6ccn(C)n6)cc5)n34)n2)cn1,LSTLCPMEMWPTEA-UHFFFAOYSA-N,2,1,0.43,56,415,470.522,3.023,6,0.365,0.7,1.0,0.28404495922143785,0.3174302652319923,0.07645980398876019,0.059557261325474606,0.18437307244191622
EOS-2-29255,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cccs5)nc4)n23)n(C)n1,OSDFMMCAJYPBOQ-UHFFFAOYSA-N,2,1,0.323,99,502,470.522,3.719,6,0.362,0.55,0.999,0.24126173668699882,0.26055445137413474,0.04531903228017271,0.04072716057843876,0.14696559522993627
EOS-2-29256,Cc1c(-c2ccc(COc3cncc4nnc(-c5ccc(C#N)nc5)n34)s2)nnn1C,YJDQZSORZWRPCP-UHFFFAOYSA-N,2,1,0.442,92,185,429.469,2.802,5,0.418,0.65,1.0,0.2922863408950723,0.322313412377493,0.10007881570831334,0.08935302583784524,0.20100789870468097
EOS-2-29257,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)cc2)cc1,IWPQJMNJQLNSSH-UHFFFAOYSA-N,2,1,0.61,17,403,470.532,6.83,6,0.256,0.77,1.0,0.8135323144404085,0.5764940716880269,0.8900520869028853,0.8820420121993009,0.7905301213076554
EOS-2-29258,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)cc5)n34)cc2)cc1,UCPASJCOLZTTIX-UHFFFAOYSA-N,2,1,0.608,21,47,470.532,6.41,6,0.305,0.78,1.0,0.8616869988348982,0.6583167706120211,0.9225121650332396,0.912471729148105,0.838746915907066
EOS-2-29259,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cc1,RAWATSJYGODPOM-UHFFFAOYSA-N,2,1,0.644,17,403,470.532,6.83,6,0.256,0.86,1.0,0.8727126310739497,0.6779264615173737,0.9051384415050373,0.8916541018436023,0.8368579089849908
EOS-2-29260,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)nn5)n34)cc2)cc1,IWQVBIBEPHKPHE-UHFFFAOYSA-N,2,1,0.566,21,47,470.536,5.537,6,0.305,0.74,1.0,0.7862209581248715,0.7399852648893154,0.6041481049962305,0.6474967445685696,0.6944627681447468
EOS-2-29261,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)c5)n34)cc2)nn1,JLXLCYWHFOODMB-UHFFFAOYSA-N,2,1,0.536,21,47,470.536,5.803,6,0.306,0.78,1.0,0.6879154958536083,0.5342162977177712,0.7654804331437187,0.7319237886368309,0.6798840038379823
EOS-2-29262,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cc2)cc1,AKXVEPZTESKYBC-UHFFFAOYSA-N,2,1,0.685,21,47,470.536,5.537,6,0.305,0.77,1.0,0.9111609896511548,0.8635888561441984,0.7630045918717018,0.7527842505654171,0.822634672058118
EOS-2-29263,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cn2)cc1,SOTGLQUWIOPFNR-UHFFFAOYSA-N,2,1,0.615,12,47,470.536,5.537,6,0.305,0.76,1.0,0.8844321842231513,0.7351106846686314,0.7290967034473306,0.7132393256116785,0.765469724487698
EOS-2-29264,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cc1,ZUZMORAUJPMGOP-UHFFFAOYSA-N,2,1,0.658,12,47,470.536,5.537,6,0.305,0.8,1.0,0.9154615859091221,0.739993831814132,0.6820043177301076,0.6617521074635049,0.7498029607292167
EOS-2-29265,Cc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,GXHWZXGNDYYQCR-UHFFFAOYSA-N,2,1,0.478,12,47,470.536,5.803,6,0.306,0.82,1.0,0.48830614762524843,0.3895552052635186,0.7368412034815982,0.6992838050853266,0.578496590363923
EOS-2-29266,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cccnc6)cn5)n34)cc2)cc1,LRXKZNMDUAXZBK-UHFFFAOYSA-N,2,1,0.633,12,285,470.536,5.537,6,0.305,0.75,1.0,0.8240524981152766,0.7304845452676307,0.7215663765334795,0.7185422520731958,0.7486614179973957
EOS-2-29267,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccnnc6)cc5)n34)cc2)cc1,AYLQPGJLZHZXQD-UHFFFAOYSA-N,2,1,0.725,21,47,470.536,5.537,6,0.305,0.72,1.0,0.8806113357549175,0.8308546364197108,0.8149715578096086,0.7985744637105064,0.8312529984236858
EOS-2-29268,c1cncc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cc2)c1,DYYPULCSJCDZTA-UHFFFAOYSA-N,2,1,0.667,12,492,470.536,5.537,6,0.305,0.78,1.0,0.8339044616544445,0.7704835172366528,0.8202059488725927,0.7917037900075389,0.8040744294428073
EOS-2-29269,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)cc2)nn1,QDERUEKLCJAXLG-UHFFFAOYSA-N,2,1,0.541,12,47,470.536,5.803,6,0.306,0.8,1.0,0.6277671167157837,0.49796963881844974,0.7444743334932493,0.7158608046055788,0.6465179734082653
EOS-2-29270,c1ccc(CCCc2cncc3nnc(-c4ncc(-c5ccc(-c6ccccc6)nc5)nn4)n23)cc1,VQPBXCAMBVVTHY-UHFFFAOYSA-N,2,1,0.489,30,93,470.54,4.881,6,0.328,0.73,0.997,0.16074977725995476,0.14271640052086904,0.20397847988486054,0.31961483106024263,0.20676487218148176
EOS-2-29271,CCn1cnnc1-c1cccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,WHGQEFRGZFDTLR-UHFFFAOYSA-N,2,1,0.679,91,742,429.459,3.83,5,0.391,0.68,1.0,0.6421338496333356,0.5916575286135289,0.43428311973134126,0.44365533548077585,0.5279324583647454
EOS-2-29272,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)ccn1,WGQFJEFKLSFSHO-UHFFFAOYSA-N,2,1,0.646,26,864,429.459,3.83,5,0.391,0.73,1.0,0.6194743334932493,0.47511308340758,0.5287505996847371,0.4810499623055308,0.5260969947227744
EOS-2-29273,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,HLFZSVRJSRKARO-UHFFFAOYSA-N,2,1,0.517,26,438,429.459,3.83,5,0.366,0.69,1.0,0.6570231649647043,0.4979782057432664,0.5620673702967582,0.4870725104516483,0.5510353128640944
EOS-2-29274,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1F,ULAVQCTZQVVNPG-UHFFFAOYSA-N,2,1,0.57,26,393,429.459,3.83,5,0.391,0.72,1.0,0.7091529024741279,0.5817455966006443,0.6010040435885134,0.5334538414090878,0.6063390960180933
EOS-2-29275,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cn1,PGHZPXGSDRHERY-UHFFFAOYSA-N,2,1,0.675,84,73,429.459,3.656,5,0.41,0.81,1.0,0.5291104105270372,0.5342248646425879,0.48737235282023167,0.4311733260228908,0.49547023850318694
EOS-2-29276,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1F,VJJFMFWTBHTAKU-UHFFFAOYSA-N,2,1,0.612,35,545,429.459,3.656,5,0.41,0.78,1.0,0.602666027002947,0.6009954766636968,0.5912548831471455,0.503066959084367,0.5744958364745391
EOS-2-29277,FCCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,QAWDBSMZTIVGMS-UHFFFAOYSA-N,2,1,0.554,15,545,429.459,3.641,5,0.375,0.8,1.0,0.36806935782331573,0.29712665341648964,0.4416164073744089,0.4054811184977041,0.3780733842779796
EOS-2-29278,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)cn1,WPYOFJSLXYZPQN-UHFFFAOYSA-N,2,1,0.586,84,73,429.459,3.83,5,0.391,0.72,1.0,0.4635134672058118,0.49798677266808306,0.5042834624083339,0.462656774724145,0.48211011925159347
EOS-2-29279,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,JEQDQJYDWJXASW-UHFFFAOYSA-N,2,1,0.539,35,545,429.459,3.83,5,0.391,0.71,1.0,0.44723631005414294,0.38013158796518404,0.5588376396408745,0.49634192310328284,0.4706368651908711
EOS-2-29280,Cc1cccc(C)c1COc1cncc2nnc(-c3ccc(F)c(-c4cnnn4C)c3)n12,DXQHVURLKLMYGU-UHFFFAOYSA-N,2,1,0.554,43,250,429.459,3.922,5,0.421,0.69,0.997,0.5520355013364403,0.5711397436776094,0.6461003358234528,0.5594116236035912,0.5821718011102734
EOS-2-29281,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)nn1C,VDNWNTIUJCBBEX-UHFFFAOYSA-N,2,1,0.581,84,73,429.459,3.656,5,0.41,0.73,1.0,0.4635220341306285,0.4267099581934069,0.5217942567336029,0.46266534164896167,0.46867289767665
EOS-2-29282,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cn2)c1,DBLJFIJMIQMULC-UHFFFAOYSA-N,2,1,0.624,84,73,429.459,3.83,5,0.391,0.76,1.0,0.6570317318895209,0.6291035569871839,0.5042920293331505,0.4500890960180933,0.5601291035569872
EOS-2-29283,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)c1,FORGUEWOPBLHFD-UHFFFAOYSA-N,2,1,0.523,26,669,429.459,3.83,5,0.366,0.68,1.0,0.6363169076828181,0.4979953395928997,0.5489599753272565,0.47502741415941335,0.5395749091905969
EOS-2-29284,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c1,MOEBYUFNMRSRIZ-UHFFFAOYSA-N,2,1,0.495,26,448,429.459,3.83,5,0.391,0.66,0.999,0.6081574258104311,0.4796621204852306,0.4905506819272154,0.44713350695634296,0.506375933794805
EOS-2-29285,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,ABWBCSUGBXMXQN-UHFFFAOYSA-N,2,1,0.516,26,619,429.459,3.83,5,0.391,0.7,1.0,0.6393924336920019,0.4665204578164622,0.5455332054005894,0.48708107737646494,0.5346317935713797
EOS-2-29286,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1F,YVABTYTVSFVDKA-UHFFFAOYSA-N,2,1,0.565,26,125,429.459,3.83,5,0.391,0.72,1.0,0.7214378726612295,0.5817541635254609,0.4938575149064492,0.4436639024055925,0.5601783633746831
EOS-2-29287,CCn1cncc1-c1ccnc(-c2nnc3cncc(COCc4cccc(F)c4)n23)c1,KDWFXOGTISJDNQ-UHFFFAOYSA-N,2,1,0.433,26,1,429.459,3.926,5,0.39,0.79,0.997,0.2867178397642382,0.23510211774381468,0.5816256596532109,0.5464584332807896,0.4124760126105133
EOS-2-29288,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)cn1,XDLHJXBBQSULNO-UHFFFAOYSA-N,2,1,0.489,15,561,429.459,3.83,5,0.366,0.69,1.0,0.414947570420122,0.3990387910355699,0.44516311424850935,0.39634877664313617,0.41387456308683435
EOS-2-29289,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c1,ABAJUIPDURDCSK-UHFFFAOYSA-N,2,1,0.549,26,328,429.459,3.83,5,0.391,0.74,1.0,0.5417037900075389,0.43595367007059144,0.5756031115070934,0.5299328353094374,0.5207983517236653
EOS-2-29290,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cn1,UXNMDGTVVUOMPW-UHFFFAOYSA-N,2,1,0.516,15,545,429.459,3.83,5,0.391,0.72,1.0,0.4355167569049414,0.42228085806318966,0.4765094921526969,0.4404855732986087,0.4436981701048591
EOS-2-29291,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)cn1,PLBYOAVBUHYFNA-UHFFFAOYSA-N,2,1,0.566,15,519,429.459,3.83,5,0.366,0.74,1.0,0.5597628675210746,0.5667106435473922,0.5558049482557741,0.47503598108423,0.5393286101021177
EOS-2-29292,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)cn1,ZBWJDNQJJYSIOE-UHFFFAOYSA-N,2,1,0.5,15,545,429.459,3.83,5,0.391,0.73,1.0,0.45669419505174425,0.4179202933315057,0.4267613597423069,0.39948427112603657,0.4252150298128984
EOS-2-29293,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)cn1,YYNMJDBUIUCYEJ-UHFFFAOYSA-N,2,1,0.598,35,545,429.459,3.83,5,0.391,0.66,1.0,0.5738211911452266,0.5433486395723391,0.5912634500719621,0.529941402234254,0.5595936707559455
EOS-2-29294,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncn(C)n5)cc4)n23)c1F,ZSQMTJJSTWDFRG-UHFFFAOYSA-N,2,1,0.617,91,309,429.459,3.656,5,0.41,0.68,1.0,0.7306473168391474,0.6340809403056679,0.5588462065656912,0.46575800150777874,0.5973331163045713
EOS-2-29295,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(C)c4)n23)ccc1F,BVYAZKFKDLBLQL-UHFFFAOYSA-N,2,1,0.495,26,911,429.459,4.096,5,0.404,0.69,1.0,0.6363254746076349,0.5296415598656706,0.6489274210129532,0.5334624083339045,0.5870892159550408
EOS-2-29296,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(C)ccc4F)n23)cc1,YZRCJYBQWFHVBF-UHFFFAOYSA-N,2,1,0.462,26,448,429.459,4.096,5,0.404,0.72,1.0,0.5820968405181276,0.4980039065177164,0.5218028236584196,0.42482523473373995,0.5066822013570009
EOS-2-29297,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCCc4cccc(F)c4)n23)cn1,USNHRHTXUZQGCZ-UHFFFAOYSA-N,2,1,0.511,84,56,429.459,3.738,5,0.367,0.8,1.0,0.7542577616338839,0.6155678157768487,0.47333972997052975,0.4626739085737784,0.5764598039887602
EOS-2-29298,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cc2)cn1,FYXUUQQBWFNAKH-UHFFFAOYSA-N,2,1,0.522,15,519,429.459,3.83,5,0.366,0.71,1.0,0.5442481666780893,0.5575868686176411,0.45929854019601124,0.40548968542252073,0.49165581522856555
EOS-2-29299,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,ZADLCUHNRAMWCS-UHFFFAOYSA-N,2,1,0.679,91,742,429.459,3.83,5,0.391,0.73,1.0,0.5238760194640532,0.45765369063121103,0.37181310396819955,0.39334178603248576,0.4366711500239874
EOS-2-29300,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cncc(C)c4)n23)ccc1F,MHKAXEXYNLYERX-UHFFFAOYSA-N,2,1,0.495,26,448,429.459,4.096,5,0.404,0.68,1.0,0.6333870193955178,0.49314646014666574,0.642999109039819,0.5434514426701391,0.5782460078130354
EOS-2-29301,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)cn1,SOKNVUOVAYVNFE-UHFFFAOYSA-N,2,1,0.539,15,545,429.459,3.83,5,0.391,0.75,1.0,0.4059780001370708,0.3754026454663834,0.5319888972654376,0.4810585292303475,0.44860701802480984
EOS-2-29302,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)c1,HSZYCNMLRRMDCN-UHFFFAOYSA-N,2,1,0.692,91,309,429.459,3.83,5,0.391,0.75,1.0,0.552044068261257,0.5071362483722843,0.39047186621890206,0.4054982523473374,0.4637876087999452
EOS-2-29303,CCn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)c1,FQWFWVHBIXGTAJ-UHFFFAOYSA-N,2,1,0.527,15,438,429.459,3.83,5,0.366,0.73,1.0,0.6081659927352477,0.5252124597354534,0.5558135151805907,0.4690219998629292,0.5395534918785553
EOS-2-29304,Cc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1nncn1C,LPGCWPBQBGEOKA-UHFFFAOYSA-N,2,1,0.714,91,309,429.459,3.656,5,0.41,0.72,1.0,0.7245390994448633,0.6538448358577205,0.5114539784798848,0.48106709615516413,0.5927262524844081
EOS-2-29305,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4nc(-c5ccns5)ns4)n23)cc1,PNVZIHHWUIVTCH-UHFFFAOYSA-N,2,1,0.444,28,797,470.543,4.407,6,0.353,0.59,1.0,0.3332705092180111,0.33632033445274484,0.061998834898224935,0.10353128640943048,0.20878024124460282
EOS-2-29306,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4ncc(-c5nncs5)s4)n23)cc1,YPLDPUACDWHADW-UHFFFAOYSA-N,2,1,0.473,81,797,470.543,4.407,6,0.353,0.61,1.0,0.3231015694606264,0.36555924885203206,0.09286546501267905,0.13254746076348434,0.22851843602220545
EOS-2-29307,c1cncc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6cncs6)n5)n34)cn2)c1,BHTWKVOAGVWTRH-UHFFFAOYSA-N,2,1,0.506,28,667,470.543,4.407,6,0.353,0.6,1.0,0.39752244534301967,0.4445634295113426,0.19007436090740867,0.1863648824617915,0.30463127955589064
EOS-2-29308,c1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)cn2)cn1,KKAHCWWFWZYONW-UHFFFAOYSA-N,2,1,0.396,80,34,470.543,4.407,6,0.353,0.67,1.0,0.3611901171955315,0.17852614625454047,0.20056884380782675,0.19726201082859296,0.2343867795216229
EOS-2-29309,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6cncs6)n5)n34)cc2)c1,WBRRUCOAEOBTFT-UHFFFAOYSA-N,2,1,0.511,81,25,470.543,4.407,6,0.353,0.65,1.0,0.40598656706188746,0.4576622575560277,0.21117469673086148,0.20912720169967788,0.32098768076211365
EOS-2-29310,c1csc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnn6)s5)n34)cc2)c1,OFAYULDDJOWHLV-UHFFFAOYSA-N,2,1,0.489,40,117,470.543,4.407,6,0.353,0.66,1.0,0.41264306764443837,0.42671852511822356,0.22853128640943046,0.25624528819135084,0.3310345418408608
EOS-2-29311,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cs2)nc1,IIEBTAABQXCXFF-UHFFFAOYSA-N,2,1,0.538,28,297,470.543,4.407,6,0.353,0.71,1.0,0.347508738263313,0.4445719964361593,0.1517459392776369,0.14158556644506887,0.2713530601055445
EOS-2-29312,c1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)n2)nc1,HYGCZMWFFJCHHE-UHFFFAOYSA-N,2,1,0.517,40,25,470.543,4.407,6,0.353,0.69,1.0,0.3634260845726818,0.4796706874100473,0.12479439380439997,0.1515060653827702,0.2798493077924748
EOS-2-29313,c1cc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)nc(-c2nccs2)n1,DHDLCISVOOANKW-UHFFFAOYSA-N,2,1,0.517,40,25,470.543,4.407,6,0.353,0.7,1.0,0.47079535329997946,0.5711483106024261,0.18028236584195736,0.1727177712288397,0.3487359502433007
EOS-2-29314,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cc2)cn1,CYLAUXNTPZHJEN-UHFFFAOYSA-N,2,1,0.329,42,171,429.447,3.767,6,0.417,0.7,1.0,0.10637550544856418,0.13532314440408472,0.5422092385717223,0.5132701665410184,0.32429451374134743
EOS-2-29315,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnc6)n5)n34)nc2)cc1,BEPPKYBDEBKCRU-UHFFFAOYSA-N,2,1,0.29,30,301,429.447,3.767,6,0.417,0.75,0.994,0.09869954081282983,0.09600952642039613,0.30491398807484066,0.3904890000685354,0.2225280138441505
EOS-2-29316,c1ccc(-c2ccc(-c3ccc(-c4nnc5cncc(-c6ccnnc6)n45)cn3)nn2)cc1,YSEABFKNYNXWTO-UHFFFAOYSA-N,2,1,0.315,30,541,429.447,3.767,6,0.417,0.72,0.901,0.12780995133986703,0.1251028030978,0.404967103008704,0.4404941402234254,0.2745934994174491
EOS-2-29317,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cc2)cn1,VDJSCULXAGOBOU-UHFFFAOYSA-N,2,1,0.371,42,327,429.447,3.767,6,0.417,0.66,1.0,0.10389966417654718,0.14635734356795285,0.47334829689534647,0.45964121718867795,0.2958116304571311
EOS-2-29318,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cc2)cn1,ANHXSVSGEHXANL-UHFFFAOYSA-N,2,1,0.328,42,327,429.447,3.767,6,0.417,0.69,1.0,0.13867281200740184,0.1463659104927695,0.46287094784456173,0.45636865190871084,0.301069580563361
EOS-2-29319,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)nc1,RKUZEJVUYBKTKI-UHFFFAOYSA-N,2,1,0.288,32,339,429.447,3.767,6,0.417,0.71,1.0,0.1278185182646837,0.10552737989171407,0.452445000342677,0.46576656843259545,0.28788936673291754
EOS-2-29320,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)c1,ZMVBJCQVXBOZAW-UHFFFAOYSA-N,2,1,0.312,42,339,429.447,3.767,6,0.417,0.75,1.0,0.15808546364197107,0.10890274826948118,0.5151377561510521,0.5229336577342197,0.32626490644918105
EOS-2-29321,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nc5)n34)cn2)c1,FAPCOSLBWWIFOD-UHFFFAOYSA-N,2,1,0.33,42,790,429.447,3.767,6,0.417,0.74,1.0,0.1386813789322185,0.1427249674456857,0.44162497429922554,0.43446302515249124,0.28937358645740524
EOS-2-29322,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccncc6)n5)n34)cn2)cc1,BKIDPYFJKGMORU-UHFFFAOYSA-N,2,1,0.338,30,945,429.447,3.767,6,0.417,0.71,0.998,0.1170156260708656,0.11200397505311493,0.3344784456171613,0.3963573435679528,0.23996384757727365
EOS-2-29323,c1cncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)c1,DBIVRYNRVPGPCX-UHFFFAOYSA-N,2,1,0.333,42,106,429.447,3.767,6,0.417,0.72,1.0,0.19410938249605922,0.15430744979782057,0.4379411966280584,0.4311818929477075,0.3043849804674114
EOS-2-29324,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cc2)c1,UPEVGIJJBUIEPA-UHFFFAOYSA-N,2,1,0.293,42,57,429.447,3.767,6,0.417,0.74,1.0,0.1413371256253855,0.13171646905626755,0.5287591666095538,0.5164827633472688,0.32957388115961894
EOS-2-29325,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)cn1,YZDCRUYYMRGSGQ-UHFFFAOYSA-N,2,1,0.333,94,170,429.447,3.767,6,0.417,0.78,1.0,0.11702419299568227,0.14273353437050237,0.5943989445548626,0.5787643067644438,0.35823024467137277
EOS-2-29326,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cn2)cc1,MPWUZLWNELGKDN-UHFFFAOYSA-N,2,1,0.329,94,515,429.447,3.767,6,0.417,0.7,1.0,0.10879137824686451,0.12511137002261669,0.41169213898978824,0.44367246933040916,0.27231683914741966
EOS-2-29327,c1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cnn2)c1,CCOUDBGORZWOLL-UHFFFAOYSA-N,2,1,0.319,42,50,429.447,3.767,6,0.417,0.56,1.0,0.1334298540196011,0.13907545747378522,0.5114625454047015,0.5094664519224179,0.3233585772051264
EOS-2-29328,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)nc1,LZPYQBCWBSJJRF-UHFFFAOYSA-N,2,1,0.344,38,608,429.447,3.767,6,0.417,0.8,1.0,0.17150983482968954,0.15026386128435337,0.33448701254197793,0.32585155232677676,0.2455280652456994
EOS-2-29329,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cn2)c1,ZSCRLFARYQEJKV-UHFFFAOYSA-N,2,1,0.337,94,165,429.447,3.767,6,0.417,0.76,0.997,0.11953430196696593,0.13172503598108423,0.5043005962579672,0.4870896443012816,0.3106623946268247
EOS-2-29330,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)cn5)n34)cc2)nc1,PEBWSTUVXCLBQO-UHFFFAOYSA-N,2,1,0.306,38,608,429.447,3.767,6,0.417,0.69,1.0,0.11703275992049894,0.12141902542663285,0.40135186073607015,0.39636591049276954,0.25904238914399286
EOS-2-29331,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)nc1,GPTPDCFUSUBFIK-UHFFFAOYSA-N,2,1,0.333,42,983,429.447,3.767,6,0.417,0.67,1.0,0.1715184017545062,0.13533171132890137,0.3941899115893359,0.3904975669933521,0.2728843979165239
EOS-2-29332,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)nc2)nc1,SUWGZEXHVHEUSG-UHFFFAOYSA-N,2,1,0.33,32,687,429.447,3.767,6,0.417,0.76,1.0,0.1527054348571037,0.11502809951339867,0.2976663696799397,0.31358371598930845,0.21974590500993763
EOS-2-29333,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccnn6)cn5)n34)cc2)nc1,UELZBAPUFQNASS-UHFFFAOYSA-N,2,1,0.338,38,787,429.447,3.767,6,0.417,0.71,1.0,0.15537831539990404,0.12511993694743334,0.3795233363032006,0.40550681927215404,0.266382101980673
EOS-2-29334,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnn6)n5)n34)cc2)cc1,DCUIXTDBTIZSJN-UHFFFAOYSA-N,2,1,0.362,93,774,429.447,3.767,6,0.417,0.72,0.962,0.19411794942087587,0.16192344595983826,0.3121444726201083,0.42186107874717294,0.2725117366869988
EOS-2-29335,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cc2)nc1,GOQGLDAPGQUWSX-UHFFFAOYSA-N,2,1,0.306,42,762,429.447,3.767,6,0.417,0.73,1.0,0.10638407237338085,0.12852100609965048,0.47651805907751354,0.4471420738811596,0.2896413028579261
EOS-2-29336,c1ccc(-c2ccc(-c3nnc4cncc(-c5nccc(-c6cnccn6)n5)n34)nc2)cc1,ZLIAJBXWWMPXOG-UHFFFAOYSA-N,2,1,0.293,32,327,429.447,3.767,6,0.417,0.73,1.0,0.11431704475361525,0.08653450757316154,0.2680933452128024,0.32896991296004385,0.19947870262490577
EOS-2-29337,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)nn2)cc1,LNUDROFNKNLMFH-UHFFFAOYSA-N,2,1,0.288,30,301,429.447,3.767,6,0.417,0.81,0.681,0.06791001302172572,0.07269892399424302,0.3795319032280173,0.43447159207730796,0.23865310808032347
EOS-2-29338,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)cn1,BAKBYYSOWNHVEW-UHFFFAOYSA-N,2,1,0.333,42,170,429.447,3.767,6,0.417,0.67,1.0,0.09870810773764649,0.12512850387225002,0.5353385648687548,0.519729627852786,0.3197262010828593
EOS-2-29339,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cc2)nc1,HAODCMKRQWSNPW-UHFFFAOYSA-N,2,1,0.311,38,787,429.447,3.767,6,0.417,0.68,1.0,0.10639263929819752,0.08654307449797821,0.4628795147693784,0.4780001370707971,0.2834538414090878
EOS-2-29340,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccncc6)n5)n34)nc2)cc1,PDJFJBMZKMCCJG-UHFFFAOYSA-N,2,1,0.299,30,301,429.447,3.767,6,0.417,0.72,0.989,0.08226817901446097,0.09265129189226236,0.32692241792886023,0.4024998286615037,0.2260854293742718
EOS-2-29341,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnccn6)c5)n34)cc2)nc1,AXZGKFFNDMSZMU-UHFFFAOYSA-N,2,1,0.324,38,50,429.447,3.767,6,0.417,0.64,1.0,0.1195428688917826,0.11805222397368241,0.445171681173326,0.46268247549859504,0.2863623123843465
EOS-2-29342,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1,ZEYGPVHZWJIDBR-UHFFFAOYSA-N,2,1,0.307,30,371,429.447,3.767,6,0.417,0.65,0.987,0.11127578644369818,0.0653056678774587,0.3567952847645809,0.40895072304845453,0.2355818655335481
EOS-2-29343,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cc2)cn1,KWKKPXBBUNPHRA-UHFFFAOYSA-N,2,1,0.319,94,171,429.447,3.767,6,0.417,0.75,1.0,0.12782708518950037,0.15431601672263726,0.6010126105133301,0.5754574737852101,0.3646532965526694
EOS-2-29344,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cncnc6)n5)n34)nc2)cc1,TZNQCRDHNAUUOZ-UHFFFAOYSA-N,2,1,0.269,94,301,429.447,3.767,6,0.417,0.72,0.694,0.10640120622301419,0.0960180933452128,0.32693098485367694,0.38073983962716745,0.22752253101226783
EOS-2-29345,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cn2)nc1,ZJKIOVYBJVELPU-UHFFFAOYSA-N,2,1,0.276,42,106,429.447,3.767,6,0.417,0.64,1.0,0.11704132684531561,0.11503666643821533,0.4303252004660407,0.4405027071482421,0.2757264752244534
EOS-2-29346,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnccn6)c5)n34)cn2)cc1,VAPSIFWVRFQAPF-UHFFFAOYSA-N,2,1,0.333,30,327,429.447,3.767,6,0.417,0.61,0.999,0.11955143581659927,0.1120125419779316,0.4084538414090878,0.4471506408059763,0.27179211500239875
EOS-2-29347,COc1nc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cncn1C,VANUMJYIFHAWSR-UHFFFAOYSA-N,2,1,0.426,31,361,429.444,2.007,5,0.383,0.61,0.921,0.3589798505928312,0.10553594681653074,0.1079432526900144,0.055170995819340686,0.15690751147967927
EOS-2-29348,Cc1nn(C)cc1COc1cncc2nnc(-c3cc(-c4cnn(C)c(=O)c4)ccn3)n12,UQGYQLLSPWXZJY-UHFFFAOYSA-N,2,1,0.368,92,544,429.444,1.568,5,0.413,0.6,1.0,0.12783565211431705,0.04626139401000617,0.09062949763552874,0.05111027345624015,0.07895920430402302
EOS-2-29349,COc1nc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cc(C)[nH]n1,UNFAZWBPCWVKFK-UHFFFAOYSA-N,2,1,0.408,31,361,429.444,2.305,5,0.414,0.6,0.911,0.37038242752381606,0.20041463916112673,0.10008738263313001,0.05111884038105682,0.1805008224247824
EOS-2-29350,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(CO)nc4)n23)ncn1,YZBKZBVSOHIKJJ-UHFFFAOYSA-N,2,1,0.468,31,296,429.444,1.931,5,0.412,0.58,0.367,0.292294907819889,0.05357754780344048,0.1611952573504215,0.09514426701391268,0.1505529949969159
EOS-2-29351,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncnc5OC)n34)cc2)n1,WLNWQJPRXWVCER-UHFFFAOYSA-N,2,1,0.477,36,320,429.444,2.447,5,0.384,0.75,1.0,0.3703909944486327,0.24562230141868274,0.07646837091357686,0.03283702282228771,0.181329672400795
EOS-2-29352,Cn1cncc1CCOc1cncc2nnc(-c3ccc(-c4ccc(=O)n(C)n4)nc3)n12,QHIOXPCKIYLBEL-UHFFFAOYSA-N,2,1,0.424,31,579,429.444,1.302,5,0.396,0.58,0.758,0.30020217942567334,0.1697364813926393,0.057972380234391066,0.03815708313343842,0.14151703104653554
EOS-2-29353,COc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cnnn5C)c4)n23)n1,PSBUFJWMNFNPIX-UHFFFAOYSA-N,2,1,0.433,87,349,429.444,2.007,5,0.383,0.57,1.0,0.28117503940785415,0.10891131519429785,0.10795181961483107,0.058049482557741075,0.13902191419368104
EOS-2-29354,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)cnn2)cn1,WPUXZQMHHKULKN-UHFFFAOYSA-N,2,1,0.465,92,778,429.444,2.007,5,0.383,0.5,1.0,0.3282845589747104,0.16572716057843875,0.15787129052155438,0.08218250976629429,0.18351637996024944
EOS-2-29355,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4cnc(CO)cn4)n23)c1,ZPCIOJQVYTZRQJ-UHFFFAOYSA-N,2,1,0.452,7,931,429.444,1.931,5,0.412,0.62,1.0,0.21102049208416146,0.12852957302446713,0.06588821876499212,0.04716948804057296,0.11315194297854843
EOS-2-29356,CCn1ncnc1COc1cncc2nnc(-c3ccc(-c4cncc(OC)n4)cc3)n12,UNTJQXJBDDWFKG-UHFFFAOYSA-N,2,1,0.429,36,320,429.444,2.447,5,0.384,0.8,1.0,0.2894935234048386,0.13908402439860187,0.045327599204989376,0.028022411075320403,0.12548188952093756
EOS-2-29357,COc1nc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1nccn1C,LQOLWCULSHREQF-UHFFFAOYSA-N,2,1,0.435,31,551,429.444,2.007,5,0.383,0.65,1.0,0.3996213419231033,0.08655164142279487,0.06382358988417518,0.030746693167020767,0.14518581659927352
EOS-2-29358,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cncn5C)cc(CO)n4)n23)n1,XZRCRGGCMJBZGW-UHFFFAOYSA-N,2,1,0.374,7,211,429.444,1.757,5,0.429,0.69,1.0,0.2357617709546981,0.08319340689466109,0.13650538002878487,0.07303303406209308,0.1321233979850593
EOS-2-29359,COc1cncc(CCOc2cncc3nnc(-c4cc(-c5cc(C)[nH]n5)ccn4)n23)n1,LBGQUMXPWIACPV-UHFFFAOYSA-N,2,1,0.374,31,720,429.444,2.305,5,0.414,0.6,1.0,0.3282931258995271,0.13909259132341856,0.08829072716057844,0.047178054965389626,0.15071362483722842
EOS-2-29360,CCOc1ccnc(COc2cncc3nnc(-c4ccc(-c5cn(C)nn5)nc4)n23)c1,PCBZMEPZRJUMMO-UHFFFAOYSA-N,2,1,0.453,92,986,429.444,2.354,5,0.384,0.67,0.999,0.20818483996984444,0.1580254951682544,0.14550921801110273,0.07889281063669386,0.14765309094647386
EOS-2-29361,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)cc1CO,SMRABFAZKCAVSL-UHFFFAOYSA-N,2,1,0.422,65,349,429.444,1.491,5,0.409,0.6,1.0,0.30021074635049005,0.16573572750325544,0.07647693783839353,0.051127407305873486,0.14838770474950314
EOS-2-29362,COc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nnnn4C)cc3)n12,VEBFTAGEULWGDZ-UHFFFAOYSA-N,2,1,0.561,15,447,429.444,2.007,5,0.383,0.76,1.0,0.46353060105544514,0.31237577959015833,0.06589678568980879,0.04073572750325543,0.22063472345966692
EOS-2-29363,CCOc1nc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1cn(C)cn1,VHKPZKJPWNEIOU-UHFFFAOYSA-N,2,1,0.394,31,587,429.444,2.354,5,0.384,0.62,0.987,0.2730364608320197,0.13534027825371805,0.08095743951751079,0.03816565005825509,0.13187495716537592
EOS-2-29364,CCn1cc(-c2cnnc(-c3nnc4cncc(OCc5ccnc(OC)c5)n34)c2)cn1,PYLROFAZZHARTO-UHFFFAOYSA-N,2,1,0.357,92,182,429.444,2.447,5,0.384,0.64,1.0,0.16075834418477145,0.07270749091905969,0.16743197861695566,0.08046912480296073,0.12034173463093689
EOS-2-29365,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)s2)s1,BDRQKYFLUGMVID-UHFFFAOYSA-N,2,1,0.408,93,74,470.558,6.153,6,0.309,0.79,1.0,0.23279761496813103,0.48840895072304846,0.5689209101500925,0.6587108491535878,0.48720958124871494
EOS-2-29366,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)sc1F,FYMZKLMGHJOELC-UHFFFAOYSA-N,2,1,0.342,69,898,470.558,6.153,6,0.309,0.65,1.0,0.24658179699814955,0.38451785347131795,0.6249057638270167,0.615482146528682,0.4678718902062916
EOS-2-29367,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)s4)n23)s1,ZAYDRUXXRCYEMW-UHFFFAOYSA-N,2,1,0.321,32,126,470.558,6.153,6,0.309,0.67,0.999,0.10140668905489686,0.22516448495648003,0.38315571242546775,0.49008806798711535,0.29995373860599
EOS-2-29368,COc1cc(-c2nnc3cncc(OCCc4cncc(C)c4)n23)ccc1-c1ncon1,HXXWUWQPPNZXTP-UHFFFAOYSA-N,2,1,0.542,35,604,429.44,3.175,5,0.385,0.67,1.0,0.5442567336029059,0.19108525803577547,0.3011788088547735,0.18107908984990748,0.3043999725858406
EOS-2-29369,N#Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)s4)n23)c(F)c1,ICZXDHPGLVZBJW-UHFFFAOYSA-N,2,1,0.494,24,805,429.44,3.9,5,0.417,0.68,1.0,0.8084778287985744,0.8344784456171612,0.5816342265780275,0.5942790076074292,0.7047173771502981
EOS-2-29370,N#Cc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1cccs1,GVYBAMYJIUVPNN-UHFFFAOYSA-N,2,1,0.413,46,62,429.44,3.9,5,0.417,0.68,1.0,0.7832910698375711,0.6681858680008225,0.6191145226509492,0.6092711260365979,0.6699656466314852
EOS-2-29371,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccs5)n4)n23)c(F)c1,AXFDQYJUBSZDLP-UHFFFAOYSA-N,2,1,0.451,24,212,429.44,3.9,5,0.417,0.75,1.0,0.7719398944554863,0.8661417997395655,0.668091631827839,0.6674662463162223,0.7434098930847782
EOS-2-29372,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ns4)n23)cc1,FVVCVLIWMNLINK-UHFFFAOYSA-N,2,1,0.523,97,230,429.44,3.9,5,0.391,0.68,1.0,0.8592711260365979,0.8079809471592078,0.7188078267425125,0.7076108560071277,0.7734176889863615
EOS-2-29373,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncn5C)c(OC)c4)n23)cn1,PVIFXUMHRLDDJG-UHFFFAOYSA-N,2,1,0.424,15,248,429.44,3.396,5,0.405,0.73,1.0,0.39962990884791993,0.11806079089849908,0.49055924885203206,0.24698444246453294,0.313808597765746
EOS-2-29374,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccsc5)n4)n23)cn1,FBMIUBHTDHXWOI-UHFFFAOYSA-N,2,1,0.512,4,390,429.44,3.9,5,0.417,0.71,1.0,0.6879240627784251,0.7488520320745665,0.6574258104310876,0.6269446919333836,0.6802866493043658
EOS-2-29375,COc1cc(-c2nnc3cncc(OCc4cccc(C)n4)n23)ccc1-c1noc(C)n1,TUBGKENMCMZSGC-UHFFFAOYSA-N,2,1,0.528,4,248,429.44,3.441,5,0.4,0.75,1.0,0.36119868412034817,0.20042320608594338,0.2039870468096772,0.09515283393872935,0.2151904427386745
EOS-2-29376,COc1nc(-n2cccn2)ccc1COc1cncc2nnc(-c3ccc(CO)cc3)n12,WDQNLBKAFMOPIJ-UHFFFAOYSA-N,2,1,0.547,89,230,429.44,2.452,5,0.42,0.69,1.0,0.4635391679802618,0.18261256939209103,0.3604276608868481,0.21529538756767871,0.3054686964567199
EOS-2-29377,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nc6cc(F)ccc6s5)n34)cc2)no1,KMOQZKSPHJOPAX-UHFFFAOYSA-N,2,1,0.358,38,787,429.44,4.566,6,0.407,0.67,1.0,0.372652662600233,0.4980124734425331,0.31215303954492496,0.39050613391816874,0.39333107737646494
EOS-2-29378,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnn(C)c5)c(OC)c4)n23)cn1,NAHKALRHVJHIKS-UHFFFAOYSA-N,2,1,0.452,15,374,429.44,3.396,5,0.405,0.67,1.0,0.3183983277362758,0.16193201288465492,0.5187444314988692,0.26518915769995205,0.316065982454938
EOS-2-29379,COc1nc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1nnc(C)o1,WZZGPERWGMPWLA-UHFFFAOYSA-N,2,1,0.562,19,54,429.44,3.175,5,0.385,0.8,1.0,0.3726612295250497,0.06531423480227537,0.09508429854019601,0.06113357549174148,0.14854833458981564
EOS-2-29380,COc1cc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)ccc1-c1ncon1,GQZBTVJLFMJYMA-UHFFFAOYSA-N,2,1,0.517,15,604,429.44,3.175,5,0.385,0.75,1.0,0.5495682269892399,0.25565417037900073,0.2214464395860462,0.1217274347200329,0.28709906791858
EOS-2-29381,COc1ccc(-c2nnc3cncc(OCc4ccc(-c5c(C)noc5C)cn4)n23)cn1,HANAOSOBUQUZAA-UHFFFAOYSA-N,2,1,0.483,4,205,429.44,3.441,5,0.4,0.75,1.0,0.29230347474470564,0.19109382496059216,0.23224076485504763,0.10353985333424714,0.20479447947364815
EOS-2-29382,COCc1cc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4C)n23)ccn1,LSLQVGQUJZCNEP-UHFFFAOYSA-N,2,1,0.444,55,879,429.44,3.27,5,0.384,0.72,1.0,0.38440648344870126,0.17853471317935715,0.3049225549996573,0.18108765677472413,0.26223785210060996
EOS-2-29383,CC(C)(O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccoc5)nn4)n23)cc1,WOUBZPSVAZVOGE-UHFFFAOYSA-N,2,1,0.471,89,731,429.44,3.043,5,0.433,0.66,1.0,0.6110444794736481,0.3412634500719622,0.5489685422520731,0.36476252484408195,0.46650974916044136
EOS-2-29384,Fc1cc(-c2cc[nH]n2)ccc1-c1nnc2cncc(-c3cnc(-c4ccco4)s3)n12,ALAGHVMRUWZSPJ-UHFFFAOYSA-N,2,1,0.306,32,693,429.44,4.704,6,0.436,0.61,1.0,0.2867264066890549,0.4267270920430402,0.5388595709684052,0.5819597697210609,0.45856820985539026
EOS-2-29385,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnns5)c4)n23)cc1,NMUVRUKVTUDJQZ-UHFFFAOYSA-N,2,1,0.618,43,230,429.44,3.9,5,0.417,0.74,1.0,0.8364488383249948,0.8308632033445275,0.8379737509423617,0.8298094715920773,0.8337738160509904
EOS-2-29386,FC(F)Oc1ccc(-c2nnc3cncc(-c4nnc(-c5ccns5)s4)n23)cc1,OYCXKBNDZCJEPH-UHFFFAOYSA-N,2,1,0.507,50,121,429.437,4.035,5,0.416,0.69,1.0,0.32311013638544306,0.4884175176478651,0.43794976355287507,0.5030755260091837,0.4381382358988417
EOS-2-29387,Fc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)s3)n12,RPDRQVIOWRWLGM-UHFFFAOYSA-N,2,1,0.301,32,126,429.436,5.574,6,0.364,0.65,1.0,0.3519035706942636,0.4622883969570283,0.7007059146048934,0.7158693715303954,0.5576918134466452
EOS-2-29388,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cc1F,KLBKYWJCQDWEIY-UHFFFAOYSA-N,2,1,0.658,57,80,429.43,4.753,5,0.39,0.76,1.0,0.8953807141388527,0.8935730930025358,0.9204475361524227,0.9179288602563224,0.9068325508875335
EOS-2-29389,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)cc1F,RHALHCOCHYONOE-UHFFFAOYSA-N,2,1,0.679,57,80,429.43,4.753,5,0.39,0.76,1.0,0.969724487697896,0.9657323007333287,0.8984562401480365,0.8959204304023027,0.932458364745391
EOS-2-29390,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)nc1,HEWXJIUWVDRXMZ-UHFFFAOYSA-N,2,1,0.667,57,732,429.43,4.753,5,0.39,0.8,1.0,0.9376584881091083,0.8960660681241861,0.8936673291755192,0.8972397368240697,0.9061579055582208
EOS-2-29391,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nc1F,PQWBCMHHWUOELG-UHFFFAOYSA-N,2,1,0.688,79,824,429.43,4.753,5,0.365,0.78,1.0,0.9587759577821945,0.9314131999177575,0.8755397162634501,0.867443972311699,0.9082932115687753
EOS-2-29392,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)c1,IYSRDRYDEFNGPM-UHFFFAOYSA-N,2,1,0.581,57,732,429.43,4.753,5,0.39,0.82,1.0,0.9288345555479405,0.8909601809334521,0.897436776094853,0.8959289973271195,0.9032901274758413
EOS-2-29393,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cc1,QRPYUBJCZWBUFO-UHFFFAOYSA-N,2,1,0.625,57,883,429.43,4.753,5,0.39,0.78,1.0,0.9236258652594065,0.9155386882324721,0.9167209238571722,0.9211328901377561,0.9192545918717017
EOS-2-29394,Cc1ccc(-c2nnc3cncc(OCc4cccnc4-c4c(F)cccc4F)n23)cc1,LTDYMRIBPORYOV-UHFFFAOYSA-N,2,1,0.556,57,709,429.43,5.019,5,0.393,0.72,1.0,0.9714721403604962,0.9027311356315537,0.8961945719964362,0.8834298540196012,0.9134569255020218
EOS-2-29395,Cc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)n1,NFPGCZLZSVDUPG-UHFFFAOYSA-N,2,1,0.573,57,80,429.43,5.019,5,0.393,0.75,1.0,0.7061544787882942,0.7304931121924474,0.9148190665478719,0.8972483037488863,0.8121787403193749
EOS-2-29396,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2)cc1F,KJNDAZXGQPCCFY-UHFFFAOYSA-N,2,1,0.689,91,883,429.43,4.753,5,0.39,0.77,1.0,0.9718490850524296,0.9700157631416627,0.9341631827839079,0.927403879103557,0.9508579775203894
EOS-2-29397,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1F,BZCXILRIHRKSJF-UHFFFAOYSA-N,2,1,0.59,79,732,429.43,4.753,5,0.39,0.76,1.0,0.9312332944966075,0.9430385168939758,0.8912771571516689,0.8903347954218354,0.9139709409910219
EOS-2-29398,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)cn1,GQDYXUWJLLKUDO-UHFFFAOYSA-N,2,1,0.646,57,80,429.43,5.019,5,0.393,0.79,1.0,0.8682149955451991,0.7615653485025016,0.9409481872387088,0.9223408265369063,0.8732673394558289
EOS-2-29399,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)cc4)n23)c(F)c1,AAWAWLMHTDAVCW-UHFFFAOYSA-N,2,1,0.55,1,326,429.43,5.019,5,0.367,0.85,1.0,0.932355561647591,0.9074001096566376,0.9430899184428757,0.9274124460283737,0.9275645089438695
EOS-2-29400,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(F)cc5)n4)n23)cc1,SCEIRGPKMWZNEB-UHFFFAOYSA-N,2,1,0.568,57,461,429.43,5.019,5,0.393,0.82,1.0,0.9334007264752244,0.9114608320197382,0.8936758961003358,0.8849119320128846,0.9058623466520457
EOS-2-29401,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,RLPZEFJKGRWETO-UHFFFAOYSA-N,2,1,0.571,57,732,429.43,4.753,5,0.39,0.78,1.0,0.9413851004043589,0.944400657939826,0.887918922623535,0.8930505105887191,0.9166887978891097
EOS-2-29402,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cc2)nc1,FLLPMTYIVODTKS-UHFFFAOYSA-N,2,1,0.74,57,660,429.43,4.753,5,0.39,0.83,1.0,0.9775203892810637,0.9657408676581455,0.9007007744500034,0.8998440819683367,0.9359515283393873
EOS-2-29403,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cn2)c1,AAVXOAFGKFTQIS-UHFFFAOYSA-N,2,1,0.662,57,732,429.43,4.753,5,0.39,0.84,1.0,0.9167466246316223,0.9430470838187924,0.8936844630251525,0.9032537180453705,0.9141829723802344
EOS-2-29404,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)cc4)n23)c1,XGGCEVZDEHKTNX-UHFFFAOYSA-N,2,1,0.679,91,660,429.43,4.753,5,0.39,0.77,1.0,0.9771434445891303,0.9671287094784456,0.890060653827702,0.8916626687684189,0.9314988691659242
EOS-2-29406,FC(F)c1ccc(-c2nnc3cncc(-c4cncc(OCc5ccccc5)c4)n23)cc1,NSLPVAXOJYYKDJ-UHFFFAOYSA-N,2,1,0.437,62,3,429.43,5.37,5,0.363,0.84,1.0,0.5082670824480844,0.5817627304502776,0.9647385374545953,0.9493180727845932,0.7510216057843876
EOS-2-29407,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cc1F,YPHSLUSGEUOECI-UHFFFAOYSA-N,2,1,0.675,57,80,429.43,4.753,5,0.39,0.79,1.0,0.8747001576314166,0.8882615996162018,0.9294599410595573,0.92428551847029,0.9041768041943664
EOS-2-29409,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c(F)c1,QEYNWSPEYACHNQ-UHFFFAOYSA-N,2,1,0.649,91,883,429.43,4.753,5,0.39,0.76,1.0,0.9714807072853129,0.9648242067027619,0.9251422109519567,0.9211414570625728,0.9456471455006511
EOS-2-29410,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)nc1,QDEWBRTULBLYMC-UHFFFAOYSA-N,2,1,0.696,57,732,429.43,4.753,5,0.39,0.82,1.0,0.937667055033925,0.8935816599273525,0.8936930299499691,0.8959375642519362,0.9052198272907958
EOS-2-29411,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cc2)cc1,MGGCFRDQXZKDFN-UHFFFAOYSA-N,2,1,0.608,83,23,429.43,4.753,5,0.365,0.79,1.0,0.9638133095743951,0.972611541361113,0.8767733534370502,0.8849204989377013,0.924529675827565
EOS-2-29412,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cc1F,JLTTXGPNDINOAA-UHFFFAOYSA-N,2,1,0.634,57,80,429.43,4.753,5,0.39,0.78,1.0,0.8861455691864848,0.8827787677335344,0.8912857240764855,0.8916712356932356,0.8879703241724352
EOS-2-29413,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1F,WTVDKJGGTVSBMW-UHFFFAOYSA-N,2,1,0.778,91,883,429.43,4.753,5,0.39,0.76,1.0,0.9809214584332808,0.9714378726612295,0.9333578918511412,0.92526214789939,0.9527448427112605
EOS-2-29414,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncc(F)c5)c4)n23)cc1,JYFWFUOQHSOLDO-UHFFFAOYSA-N,2,1,0.595,57,326,429.43,5.019,5,0.393,0.76,1.0,0.9763809882804468,0.9027397025563704,0.9466965937906929,0.9348742375436914,0.9401728805428005
EOS-2-29415,Cc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccc(F)cc4)n23)cc1F,XFUZTABMHURLTJ-UHFFFAOYSA-N,2,1,0.573,57,709,429.43,5.019,5,0.393,0.77,1.0,0.9512113631690768,0.8960746350490028,0.9195223082722226,0.9090535261462546,0.9189654581591392
EOS-2-29416,Cc1ccc(F)cc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)cn1,JYARIEHEKJESFZ-UHFFFAOYSA-N,2,1,0.593,57,709,429.43,5.019,5,0.393,0.83,1.0,0.9065605510246042,0.8882701665410184,0.9310362552258241,0.9200877253101227,0.9114886745253924
EOS-2-29417,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)c(F)c2)ccn1,CSJZZLYAIARDRQ-UHFFFAOYSA-N,2,1,0.743,79,660,429.43,4.753,5,0.365,0.77,1.0,0.9356195600027414,0.9623912000548284,0.9072973065588377,0.9045730244671373,0.9274702727708862
EOS-2-29418,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cc1F,XTTSCMDETRNOII-UHFFFAOYSA-N,2,1,0.812,91,883,429.43,4.753,5,0.39,0.75,1.0,0.970135700089096,0.9639932149955452,0.9367161263792749,0.9283119731341237,0.94978925364951
EOS-2-29419,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,GIDCSTUKIMMPDV-UHFFFAOYSA-N,2,1,0.588,57,80,429.43,5.019,5,0.393,0.77,1.0,0.9033822219176204,0.902748269481187,0.9341717497087245,0.917937427181139,0.9145599170721678
EOS-2-29420,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cc1F,QGDRNIPWNKBGCV-UHFFFAOYSA-N,2,1,0.733,57,222,429.43,4.753,5,0.39,0.76,1.0,0.927429579878007,0.9074086765814543,0.9195308751970392,0.9190682612569392,0.9183593482283599
EOS-2-29421,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)nc2)cc1,KTFJRGNMYMJSGP-UHFFFAOYSA-N,2,1,0.617,57,198,429.43,4.753,5,0.39,0.82,1.0,0.9048385991364539,0.9114693989445548,0.8962031389212528,0.907879857446371,0.9050977486121581
EOS-2-29422,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(F)n1,YRGZFPIMQFPRDA-UHFFFAOYSA-N,2,1,0.653,79,650,429.43,4.753,5,0.365,0.76,1.0,0.9790538688232472,0.9640017819203619,0.8728754026454664,0.8722157494345829,0.9220367007059146
EOS-2-29423,Cc1cnccc1COc1cncc2nnc(-c3ccc(-c4ccc(F)c(F)c4)cc3)n12,YRTWUTHEGZWXEB-UHFFFAOYSA-N,2,1,0.59,57,80,429.43,5.019,5,0.393,0.74,1.0,0.9697330546227126,0.9192653005277226,0.9472791446782263,0.9322099239257077,0.9421218559385923
EOS-2-29424,N=c1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)c[nH]1,CFCUXDIGQSYGDL-UHFFFAOYSA-N,2,1,0.412,18,367,429.419,2.211,5,0.423,0.64,0.999,0.5683897608114591,0.3801401548900007,0.3491878555273799,0.3008789664861901,0.39964918442875746
EOS-2-29425,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccn2)nn1,YBLYWDMVFJMMKW-UHFFFAOYSA-N,2,1,0.529,75,359,429.419,2.502,5,0.375,0.65,1.0,0.7245476663696799,0.6583253375368378,0.19008292783222536,0.17815776848742376,0.43777842505654174
EOS-2-29426,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnc(F)nc5)n34)ccn2)n1,ZRVSFPASCFWGHJ-UHFFFAOYSA-N,2,1,0.5,65,530,429.419,2.502,5,0.375,0.61,1.0,0.7542663285587006,0.620048317455966,0.22145500651086286,0.17530498252347337,0.44276865876225074
EOS-2-29427,Cc1ncncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)nn1,DCLMNPXIEATOAU-UHFFFAOYSA-N,2,1,0.451,53,411,429.419,2.502,5,0.375,0.65,0.985,0.6758875334110068,0.5765026386128436,0.23567610170653142,0.21530395449249537,0.4258425570557193
EOS-2-29428,N=c1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)c[nH]1,SJXOVDLXZBDJPE-UHFFFAOYSA-N,2,1,0.469,87,304,429.419,2.211,5,0.423,0.74,1.0,0.6333955863203344,0.6244517168117333,0.34919642245219656,0.29461654444520596,0.4754150675073676
EOS-2-29429,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ncn2)cn1,DDZVYRPVLXGZAA-UHFFFAOYSA-N,2,1,0.402,18,296,429.419,2.502,5,0.401,0.62,0.923,0.6481478308546365,0.4931550270714824,0.2356846686313481,0.21233123158111164,0.39732968953464465
EOS-2-29430,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ncn2)cn1,DKSJLDPDEOBPTR-UHFFFAOYSA-N,2,1,0.442,18,113,429.419,2.502,5,0.401,0.62,1.0,0.6636025632239051,0.5483174559660065,0.30118737577959015,0.24426872729764923,0.4393440305667877
EOS-2-29431,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cnn2)cn1,NGHFBYMNWLTAFU-UHFFFAOYSA-N,2,1,0.469,87,778,429.419,2.502,5,0.401,0.53,0.997,0.6789373586457406,0.6538534027825372,0.26089712836680146,0.23846891919676513,0.45803920224796113
EOS-2-29432,N=c1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)c[nH]1,FZFNPHSJADHZHA-UHFFFAOYSA-N,2,1,0.475,65,76,429.419,2.211,5,0.396,0.69,1.0,0.6541104105270372,0.6291121239120006,0.40846240833390446,0.3196233979850593,0.5028270851895004
EOS-2-29433,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cn2)cc1F,KGJDPGHGOHVSLX-UHFFFAOYSA-N,2,1,0.484,53,602,429.419,2.502,5,0.401,0.65,1.0,0.7515848810910836,0.7445685696662326,0.15787985744637106,0.15391337125625384,0.4519866698649853
EOS-2-29434,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)cn1,IZSYBFNPPIHFMZ-UHFFFAOYSA-N,2,1,0.406,18,296,429.419,2.502,5,0.375,0.57,1.0,0.6481563977794531,0.49802104036734973,0.2501370707970667,0.21233979850592832,0.40216357686244947
EOS-2-29435,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnc(F)cn5)n34)ccn2)cn1,GUPKXSGCCXBZSL-UHFFFAOYSA-N,2,1,0.473,65,454,429.419,2.502,5,0.401,0.69,0.999,0.7394198478514152,0.6631999177575217,0.22146357343567952,0.17531354944829003,0.44984922212322664
EOS-2-29436,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ncn2)cn1,QCHUXPMTNUWEAE-UHFFFAOYSA-N,2,1,0.406,31,296,429.419,2.502,5,0.401,0.66,0.951,0.5597714344458913,0.45767082448084434,0.16120382427523816,0.15151463230758686,0.3325401788773902
EOS-2-29437,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)cnn2)cn1,OVYDDIPRKJYRGA-UHFFFAOYSA-N,2,1,0.458,65,778,429.419,2.502,5,0.401,0.63,1.0,0.5940219998629293,0.5817712973750943,0.1835206634226578,0.18109622369954081,0.38510254609005556
EOS-2-29438,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)nn1,FBOAXVHBWBCEQT-UHFFFAOYSA-N,2,1,0.495,87,304,429.419,2.502,5,0.401,0.68,1.0,0.7275289562058803,0.7874888629977383,0.1485504763210198,0.15392193818107053,0.4543725584264272
EOS-2-29439,Cc1cncnc1COc1cncc2nnc(-c3cc(-c4ccc(F)c(C)n4)ncn3)n12,IORHALYLPCCQMY-UHFFFAOYSA-N,2,1,0.357,31,726,429.419,2.768,5,0.416,0.53,0.986,0.4883147145500651,0.4401514632307587,0.20759372215749436,0.16205194983208826,0.3245279624426016
EOS-2-29440,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)s5)n34)cc2)n[nH]1,FUYLTUQIFKKJPY-UHFFFAOYSA-N,2,1,0.473,40,763,470.583,5.859,6,0.33,0.57,1.0,0.5467582756493728,0.5433572064971558,0.5724333493249263,0.5094750188472346,0.5430059625796724
EOS-2-29441,COc1cc(Oc2cncc3nnc(-c4cc(-c5cnc(C)cn5)ccn4)n23)ccc1F,GVKGRIDTRPKCID-UHFFFAOYSA-N,2,1,0.404,18,181,429.415,3.892,5,0.415,0.67,1.0,0.5968233842779795,0.45767939140566105,0.6101620862175313,0.4657751353574121,0.532609999314646
EOS-2-29442,OCc1ccc(-c2nnc3cncc(OCc4nnccc4-c4ccc(F)cn4)n23)cc1,TUOKLBKPQXQTRZ-UHFFFAOYSA-N,2,1,0.516,72,22,429.415,2.854,5,0.439,0.65,1.0,0.797400795010623,0.7121341923103283,0.5977057775340964,0.559420190528408,0.6666652388458639
EOS-2-29443,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(F)n5)nn4)n23)cc1,GOXHSFWGNWUHFM-UHFFFAOYSA-N,2,1,0.522,1,268,429.415,2.854,5,0.41,0.73,1.0,0.7974093619354397,0.6486361455691865,0.5588547734905078,0.5063138235898842,0.6278035261462546
EOS-2-29444,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ccccn1,MERGEKHBVNRTTM-UHFFFAOYSA-N,2,1,0.426,49,501,429.415,3.37,5,0.405,0.7,1.0,0.7689843053937359,0.5483260228908231,0.4416335412240422,0.3546621204852306,0.528401497498458
EOS-2-29445,COc1cc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1cnccn1,CUFHOVCUFRGHQY-UHFFFAOYSA-N,2,1,0.547,16,248,429.415,3.37,5,0.405,0.71,1.0,0.7542748954835172,0.6729833458981564,0.6221129463367829,0.5030840929340004,0.6381138201631142
EOS-2-29446,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cnccn1,GIDKMVDPXKISSX-UHFFFAOYSA-N,2,1,0.495,97,248,429.415,3.37,5,0.379,0.73,1.0,0.7689928723185525,0.6434959906791858,0.5912720169967788,0.4626910424234117,0.6166129806044822
EOS-2-29447,Oc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccncn1,PIDGLUWIFYOJFR-UHFFFAOYSA-N,2,1,0.517,35,669,429.415,3.11,5,0.41,0.55,1.0,0.9196336782948393,0.795438969227606,0.610170653142348,0.5299499691590707,0.713798317455966
EOS-2-29448,COc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccccn1,LOIOTTYKXFMVSY-UHFFFAOYSA-N,2,1,0.511,49,501,429.415,3.37,5,0.405,0.65,0.997,0.622164347885683,0.5387396340209718,0.3941984785141526,0.31359228291412516,0.46717368583373314
EOS-2-29449,COc1ccc(-c2cncc(COc3cncc4nnc(-c5ccccc5F)n34)n2)cn1,XSXXVYZGOUKOSA-UHFFFAOYSA-N,2,1,0.5,4,401,429.415,3.37,5,0.405,0.77,1.0,0.6110530463984648,0.6681944349256391,0.5114711123295183,0.4218696456719896,0.553147059831403
EOS-2-29450,OCc1ccc(-c2nnc3cncc(OCc4ncnnc4-c4cccc(F)c4)n23)cc1,UVVIPLXSUYNTBO-UHFFFAOYSA-N,2,1,0.489,43,909,429.415,2.854,5,0.439,0.7,1.0,0.8527002947022136,0.7575988623123844,0.5724419162497429,0.5819683366458775,0.6911773524775547
EOS-2-29451,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2)n[nH]1,SHAXJNLWKQORJQ-UHFFFAOYSA-N,2,1,0.523,91,273,429.415,2.697,5,0.442,0.69,1.0,0.8616955657597148,0.5817798642999109,0.5558220821054074,0.5334709752587211,0.6331921218559385
EOS-2-29452,COc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cccnc1,AUGUJOVBUNAJAT-UHFFFAOYSA-N,2,1,0.457,49,122,429.415,3.37,5,0.379,0.8,1.0,0.5968319512027962,0.5110856007127681,0.4416421081488589,0.35162942910013023,0.4752972722911384
EOS-2-29453,OCc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)cn1,VNIHVNSZQMBMHT-UHFFFAOYSA-N,2,1,0.552,16,817,429.415,2.854,5,0.439,0.77,0.999,0.7889024055924885,0.692644438352409,0.744482900418066,0.667474813241039,0.7233761394010005
EOS-2-29454,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccc5F)n34)nc2)cn1,LBSFUUZDTMDLDU-UHFFFAOYSA-N,2,1,0.444,46,119,429.415,3.37,5,0.405,0.74,1.0,0.596840518127613,0.5869714207388116,0.5252809951339867,0.4121718867795216,0.5303162051949832
EOS-2-29455,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)nc1,WUURNHBRNHQNCQ-UHFFFAOYSA-N,2,1,0.489,49,162,429.415,3.37,5,0.405,0.76,0.996,0.6054502775683641,0.5916660955383456,0.4973099856075663,0.3870279624426016,0.5203635802892195
EOS-2-29456,O=c1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)n[nH]1,KKWDMEAPNOFUHH-UHFFFAOYSA-N,2,1,0.5,19,159,429.415,2.697,5,0.442,0.73,0.998,0.48326879583304777,0.2971352203413063,0.5114796792543349,0.5132787334658351,0.451290607223631
EOS-2-29457,COc1ncc(F)cc1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,QZEGNNKINPXTMB-UHFFFAOYSA-N,2,1,0.483,24,912,429.415,3.37,5,0.405,0.71,1.0,0.7719484613803029,0.5916746624631622,0.46288808169419504,0.3516379960249469,0.5445373003906517
EOS-2-29458,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)nn2)cc1,NTGDXPCWXFAIMX-UHFFFAOYSA-N,2,1,0.462,54,691,429.415,2.854,5,0.439,0.8,0.98,0.5313892125282709,0.5158145432115687,0.597714344458913,0.5693835240901925,0.5535754060722363
EOS-2-29459,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cn2)nc1,SWGLQLKDAWYWMM-UHFFFAOYSA-N,2,1,0.473,24,786,429.415,2.854,5,0.41,0.73,1.0,0.6110616133232815,0.6200568843807827,0.5756116784319101,0.490096634911932,0.5742067027619766
EOS-2-29460,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cncnc1,VRBVCKQZEYRGIO-UHFFFAOYSA-N,2,1,0.489,4,83,429.415,3.37,5,0.379,0.69,1.0,0.7486464258789665,0.6632084846823384,0.6574343773559044,0.5299585360838873,0.6498119560002742
EOS-2-29461,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5F)nn4)n23)cc1,MTAMGVLFXWPUFO-UHFFFAOYSA-N,2,1,0.529,43,909,429.415,2.854,5,0.439,0.76,1.0,0.8727211979987664,0.79982523473374,0.5353471317935714,0.5497995339592899,0.6894232746213419
EOS-2-29462,COc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)cc4)n23)nc1,PEDISRXEUXAGPQ-UHFFFAOYSA-N,2,1,0.578,97,744,429.415,3.37,5,0.379,0.72,1.0,0.7662685902268521,0.7615739154273182,0.6489359879377699,0.48709821122609825,0.6659691762045097
EOS-2-29463,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5)nn4)n23)cc1F,LXTBOAPFNPDAJJ-UHFFFAOYSA-N,2,1,0.473,43,700,429.415,2.854,5,0.439,0.69,1.0,0.8135408813652252,0.7615824823521349,0.5151463230758687,0.5261976560893702,0.6541168357206497
EOS-2-29464,COc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)c2)cn1,RPMJOIQGLVDANJ-UHFFFAOYSA-N,2,1,0.462,46,160,429.415,3.37,5,0.405,0.76,1.0,0.5157031731889521,0.5024330066479337,0.5655969433212255,0.4436810362552258,0.5068535398533343
EOS-2-29465,COc1ccc(-c2nnc3cncc(OCc4cccc(-c5cc(F)ccn5)n4)n23)cn1,DYPCSFGJNLIIOC-UHFFFAOYSA-N,2,1,0.506,24,786,429.415,3.37,5,0.405,0.73,1.0,0.5570899869782743,0.6105390309094647,0.49386608183126585,0.38368686176410116,0.5112954903707765
EOS-2-29466,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cccnn1,LSNNCIIDQWJIDK-UHFFFAOYSA-N,2,1,0.495,72,224,429.415,3.37,5,0.379,0.74,1.0,0.7394284147762319,0.6291206908368172,0.5816427935028442,0.46269960934822835,0.6032228771160305
EOS-2-29467,Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(O)c4)n23)n1,WAHMPUWKVKHSJL-UHFFFAOYSA-N,2,1,0.495,4,675,429.415,3.375,5,0.453,0.59,1.0,0.7662771571516689,0.6435045576040025,0.5944075114796793,0.49312932629703243,0.6243296381330958
EOS-2-29468,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2)n[nH]1,BSLLPGXLGKZENN-UHFFFAOYSA-N,2,1,0.538,11,273,429.415,2.697,5,0.442,0.63,1.0,0.8339130285792612,0.6155763827016654,0.5008395586320334,0.48710677815091497,0.6093589370159688
EOS-2-29469,COc1nc(-c2nnc3cncc(Oc4ccc(C)nc4)n23)ccc1-c1ncccc1F,RYMWFRXRIZARMN-UHFFFAOYSA-N,2,1,0.375,49,501,429.415,3.892,5,0.415,0.69,1.0,0.7363700226166815,0.5575954355424577,0.4192653005277226,0.3136008498389418,0.5067079021314509
EOS-2-29470,Oc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ccncn1,LSJADMFIVNHXSS-UHFFFAOYSA-N,2,1,0.516,11,490,429.415,3.11,5,0.438,0.59,1.0,0.8916369679939689,0.7615910492769515,0.5489771091768899,0.49934891371393325,0.6753885100404359
EOS-2-29471,COc1nc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)ncc1F,CKTTVEAQAUKUJT-UHFFFAOYSA-N,2,1,0.422,97,700,429.415,3.37,5,0.405,0.74,1.0,0.7862295250496881,0.7257641696936468,0.32318723870879307,0.2682561167843191,0.5258592625591118
EOS-2-29472,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(F)c5)nn4)n23)cc1,KFVZOTACZUGURM-UHFFFAOYSA-N,2,1,0.505,72,534,429.415,2.854,5,0.439,0.83,1.0,0.7889109725173052,0.6387327804811185,0.6367281200740182,0.587965184017545,0.6630842642724968
EOS-2-29473,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nc2)n[nH]1,BHQJFKZOISPWND-UHFFFAOYSA-N,2,1,0.522,19,159,429.415,2.697,5,0.442,0.78,0.984,0.6167157837022822,0.4665290247412789,0.5114882461791516,0.5030926598588171,0.5244564286203824
EOS-2-29474,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(Oc5ccccn5)nc4)n23)c1,NKRQCUFRLVYIBI-UHFFFAOYSA-N,2,1,0.528,11,490,429.415,3.529,5,0.387,0.77,1.0,0.7746213419231033,0.787497429922555,0.45594030566787747,0.3836954286889178,0.6004386265506134
EOS-2-29475,COc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)cc4)n23)nc1,JORLETBDPSRQLU-UHFFFAOYSA-N,2,1,0.558,4,22,429.415,3.37,5,0.405,0.67,1.0,0.7455794667945994,0.7211465972174628,0.6041566719210473,0.4596497841134946,0.6326331300116511
EOS-2-29476,COc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)c(F)n4)n23)n1,NSLROMZIMDARPH-UHFFFAOYSA-N,2,1,0.457,49,122,429.415,3.37,5,0.379,0.71,1.0,0.6510777191419368,0.5963093687889796,0.48034747447056403,0.37099924611061613,0.5246834521280241
EOS-2-29477,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)nn4)n23)cc1,VEDUNSHBZOHYQV-UHFFFAOYSA-N,2,1,0.528,72,22,429.415,2.854,5,0.41,0.81,1.0,0.7394369817010485,0.6291292577616339,0.6430076759646357,0.5754660407100267,0.6467599890343363
EOS-2-29478,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(F)nc5)cn4)n23)cc1,SCCCHJOYMKUACF-UHFFFAOYSA-N,2,1,0.528,97,731,429.415,2.854,5,0.41,0.72,1.0,0.7118857514906449,0.6583339044616544,0.660227194846138,0.5787728736892606,0.6523049311219244
EOS-2-29479,COc1nc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1ccccc1F,OPUBXFDCIZOUQS-UHFFFAOYSA-N,2,1,0.435,19,820,429.415,3.37,5,0.405,0.74,1.0,0.6054588444931808,0.5296501267904873,0.4379583304776917,0.3870365293674183,0.4900259577821945
EOS-2-29480,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)c(F)c2)cc1=O,MPIURURQHRLCSJ-UHFFFAOYSA-N,2,1,0.614,4,470,429.415,2.665,5,0.423,0.72,1.0,0.42413988074840653,0.4708039202247961,0.5008481255568501,0.46578370228222876,0.4653939072030704
EOS-2-29481,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)cn1,DQKYZVFBFKEKKI-UHFFFAOYSA-N,2,1,0.389,18,160,429.415,2.854,5,0.439,0.65,1.0,0.6110701802480981,0.4884260845726818,0.6681001987526557,0.5970632581728462,0.5911649304365704
EOS-2-29482,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1cncnc1,FCSYBHVUTNGIEO-UHFFFAOYSA-N,2,1,0.489,16,83,429.415,3.37,5,0.405,0.63,1.0,0.9249109039819067,0.7257727366184634,0.7265266260023302,0.6062127338770475,0.745855750119937
EOS-2-29483,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)cn1,KSJOYUVTKVYVTQ-UHFFFAOYSA-N,2,1,0.466,55,879,429.415,3.37,5,0.405,0.78,1.0,0.8267425125077102,0.7027191419368104,0.6191230895757659,0.4810756630799808,0.6574151017750669
EOS-2-29484,COc1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cn2)cn1,PUZKVTMZXSEVBB-UHFFFAOYSA-N,2,1,0.62,97,232,429.415,3.37,5,0.405,0.79,1.0,0.947005003084093,0.7918322938797889,0.5620759372215749,0.44368960318004247,0.6861507093413748
EOS-2-29485,COc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)n2)cn1,VIXNYGOEVNPIBG-UHFFFAOYSA-N,2,1,0.536,97,335,429.415,3.37,5,0.405,0.77,1.0,0.8029864299910904,0.8635974230690151,0.4905678157768487,0.3994928380508533,0.6391611267219518
EOS-2-29486,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cn2)cc1,MMQWRHZUNCBQRV-UHFFFAOYSA-N,2,1,0.495,72,132,429.415,3.529,5,0.387,0.8,1.0,0.6789459255705572,0.7998338016585567,0.4765266260023302,0.4563772188335275,0.6029208930162429
EOS-2-29487,COc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cc1,QFEKQTXVPMXSHN-UHFFFAOYSA-N,2,1,0.552,4,817,429.415,3.37,5,0.405,0.71,1.0,0.7832996367623878,0.735119251593448,0.612980604482215,0.49010520183674866,0.6553761736686998
EOS-2-29488,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1F,NIOHFCOADFHBRP-UHFFFAOYSA-N,2,1,0.517,1,603,429.411,3.998,5,0.439,0.75,1.0,0.5417123569323555,0.1353488451785347,0.8131468028236584,0.7105493112192447,0.5501893290384483
EOS-2-29489,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5cccc([N+](=O)[O-])c5)n34)cc2)n1,ZABHLUSROAUYFN-UHFFFAOYSA-N,2,1,0.518,43,258,429.4,2.469,5,0.294,0.76,1.0,0.6819015146323076,0.204946542389144,0.14855904324583646,0.05113597423069015,0.2716357686244945
EOS-2-29490,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc([N+](=O)[O-])cc5)n34)nc2)cn1,ILLNOWICONNZQM-UHFFFAOYSA-N,2,1,0.536,51,969,429.4,2.469,5,0.294,0.78,1.0,0.5364779658693716,0.19571996436159275,0.18676752792817491,0.04854876293605647,0.24187855527379895
EOS-2-29491,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc([N+](=O)[O-])cc5)n34)cc2)o1,SSSOPRRJKGFIHH-UHFFFAOYSA-N,2,1,0.585,43,909,429.396,3.637,5,0.293,0.8,1.0,0.7118943184154616,0.28676924131313825,0.3083664587759578,0.11485676101706531,0.3554716948804057
EOS-2-29492,Fc1cc(-c2cnc(-c3cncc4nnc(-c5cnc(C6CC6)nc5)n34)cn2)cnc1F,QGVIQOJNFPMZJC-UHFFFAOYSA-N,2,1,0.312,50,845,429.394,3.256,6,0.401,0.67,1.0,0.29510485915975604,0.3655678157768487,0.1770869028853403,0.33240524981152764,0.29254120690836816
EOS-2-29493,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCCOC(F)F)n34)cn2)cc1=O,BNHBEOKBYZGAMY-UHFFFAOYSA-N,2,1,0.451,68,548,429.387,1.955,4,0.391,0.69,1.0,0.4496950174765266,0.35119251593448014,0.3904804331437187,0.35164656294976354,0.3857536323761223
EOS-2-29494,COc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1OC,MKVRYMJCZQLQIJ-UHFFFAOYSA-N,2,1,0.73,48,305,429.383,3.384,4,0.421,0.82,1.0,0.8364574052498115,0.7663970940991022,0.8493420601740799,0.6240319374957165,0.7690571242546775
EOS-2-29495,COc1cc(-c2nnco2)cc(F)c1Oc1cncc2nnc(-c3ccc(C#N)cc3)n12,CMPRSOMUHXGKCR-UHFFFAOYSA-N,2,1,0.478,72,374,429.371,3.653,5,0.411,0.71,1.0,0.9495579466794599,0.8855630182989515,0.7746299088479199,0.6559265985881708,0.8164193681036256
EOS-2-29496,c1nc(-c2noc(COc3cncc4nnc(-c5ccc(-c6conn6)cc5)n34)n2)co1,OYTLNJKFHMGPNB-UHFFFAOYSA-N,2,1,0.473,40,117,429.356,2.458,6,0.381,0.61,1.0,0.3257144815297101,0.29214070317318896,0.07011171269960935,0.07304160098690973,0.19025212459735452
EOS-2-29497,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnn(COC(F)F)n5)n34)o2)n1C,CTSDDVXGJPAXNP-UHFFFAOYSA-N,2,1,0.25,50,105,429.351,1.338,5,0.388,0.62,0.052,0.16625830991707216,0.1657442944280721,0.01380131587965184,0.018855801521485846,0.0911649304365705
EOS-2-29498,Fc1ccc2nnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2c1,UHDQGTLAPZCNKM-UHFFFAOYSA-N,2,1,0.524,36,51,429.337,3.571,5,0.406,0.78,1.0,0.8953892810636694,0.8661503666643822,0.952110890274827,0.9330494825577411,0.911675005140155
EOS-2-29499,Clc1cc(Br)c(Oc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cn1,NQPUEUUIZLVQNS-UHFFFAOYSA-N,2,1,0.452,47,499,470.678,3.575,5,0.396,0.78,1.0,0.6277756836406003,0.7400023987389487,0.5008566924816668,0.5434600095949558,0.6030236961140429
EOS-2-29500,Cn1nnnc1-c1cc(Oc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)no1,VQIWDPSXRRPUDH-UHFFFAOYSA-N,2,1,0.531,36,728,429.322,2.781,5,0.424,0.74,1.0,0.6167243506270988,0.5817884312247276,0.6899458570351586,0.5849838941813447,0.6183606332670825
EOS-2-29501,FC(F)(F)c1noc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)n1,ZMCZSMNZLYCNBE-UHFFFAOYSA-N,2,1,0.512,27,343,429.318,3.427,5,0.414,0.71,1.0,0.7306558837639641,0.702727708861627,0.6681087656774725,0.4871153450757316,0.6471519258446988
EOS-2-29502,Clc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)c(Cl)c5)n34)c2)nn1,IJEJTVWIYYADHI-UHFFFAOYSA-N,2,1,0.506,13,573,470.707,5.396,5,0.347,0.75,1.0,0.6570402988143376,0.615584949626482,0.8584658351038311,0.9190768281817558,0.7625419779316016
EOS-2-29503,Clc1cc(Cl)cc(Oc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)c1,LGZILVKJUQCCHH-UHFFFAOYSA-N,2,1,0.476,13,995,470.707,5.396,5,0.325,0.78,1.0,0.6879326297032418,0.8446559522993626,0.8688146802823659,0.9158556644506888,0.8293147316839148
EOS-2-29504,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)ccn4)n23)c1,ROYHZDZBBTZKPM-UHFFFAOYSA-N,2,1,0.407,13,110,470.707,5.396,5,0.325,0.79,1.0,0.5995733671441299,0.6779350284421904,0.8767819203618669,0.9211500239873894,0.7688600849838941
EOS-2-29505,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)c(Cl)c5)cc4)n23)ccc1Cl,RZISUCYLENKZKB-UHFFFAOYSA-N,2,1,0.378,45,558,470.722,6.62,5,0.278,0.77,1.0,0.46604927695154547,0.7875059968473717,0.9887002261668152,0.997267150983483,0.8098806627373037
EOS-2-29506,Cc1cc(-c2nnc3cncc(-c4nc(-c5cc(Cl)ccc5Cl)nn4C)n23)ccc1Cl,CHIZDGYPLHRMMI-UHFFFAOYSA-N,2,1,0.346,22,316,470.751,5.522,5,0.347,0.77,1.0,0.14134569255020218,0.4132513193064218,0.7188163936673292,0.8792149270098005,0.5381570831334385
EOS-2-29507,Fc1c(Cl)ccc(-c2nnc3cncc(-c4cnc(-c5nn[nH]n5)cn4)n23)c1Cl,ZGEVJDIMPLLUMD-UHFFFAOYSA-N,2,1,0.325,50,844,429.206,2.874,5,0.435,0.62,1.0,0.3106281269275581,0.47512165033239667,0.5187529984236858,0.7021280241244603,0.5016576999520252
EOS-2-29508,Fc1cnc(F)c(-c2cncc(COc3cncc4nnc(-c5cnc(Cl)nc5F)n34)c2)c1,ZNRMXORSQDLHMQ-UHFFFAOYSA-N,2,1,0.419,2,434,470.802,3.688,5,0.218,0.61,1.0,0.9000582550887534,0.8413148516208622,0.8256459461311767,0.829818038516894,0.8492092728394216
EOS-2-29509,FC(F)(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)nn5)nc4)n23)cn1,RPDIIHRCEYOYTB-UHFFFAOYSA-N,2,1,0.468,27,69,470.802,4.503,5,0.378,0.73,0.917,0.8527088616270304,0.9134569255020218,0.9276351860736071,0.8642399424302653,0.8895102289082312
EOS-2-29510,Fc1nc(OC(F)F)ccc1-c1nnc2cncc(-c3cnnc(-c4ccc(Cl)cc4)n3)n12,QLYYLYRPQSXOTI-UHFFFAOYSA-N,2,1,0.38,22,121,470.802,4.099,5,0.354,0.73,1.0,0.6758961003358235,0.8960832019738195,0.8396614351312452,0.8691487903502159,0.820197381947776
EOS-2-29511,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)cn5)nn4)n23)c(F)c1F,OQQMYZRTVBYGPC-UHFFFAOYSA-N,2,1,0.433,73,877,470.802,3.688,5,0.358,0.58,1.0,0.7455880337194161,0.8909687478582689,0.7517990542115003,0.8159910218627922,0.8010867144129943
EOS-2-29512,Fc1ccc(-c2cnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2F)cc1F,MIZYZCCXBRPGFZ-UHFFFAOYSA-N,2,1,0.416,73,756,470.802,3.688,5,0.358,0.72,0.999,0.7862380919745048,0.7488605989993832,0.6981529710095264,0.7707490919059694,0.751000188472346
EOS-2-29513,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)c(F)n2)c(F)n1,PIHBMLCFVHHMNF-UHFFFAOYSA-N,2,1,0.451,73,338,470.802,3.688,5,0.283,0.63,1.0,0.7455966006442327,0.877732849016517,0.7392570762798986,0.7426324446576656,0.7763047426495785
EOS-2-29514,FC(F)(F)c1ccc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ncn2)cn1,BCSLLXTVOBUVDQ-UHFFFAOYSA-N,2,1,0.39,27,971,470.802,4.503,5,0.378,0.69,0.998,0.7601689397573846,0.8235470495510931,0.9195394421218559,0.8507727366184634,0.8385070420121992
EOS-2-29515,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2F)cnc1F,DMWLBVNJSDTDKH-UHFFFAOYSA-N,2,1,0.381,46,94,470.802,3.688,5,0.358,0.65,0.999,0.7245562332944966,0.7918408608046056,0.792115002398739,0.8093002535809746,0.7794530875197039
EOS-2-29516,Fc1ccc(-c2nc(C(F)F)ncc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,JIUWUVDDZLQDIP-UHFFFAOYSA-N,2,1,0.417,45,533,470.817,5.785,5,0.311,0.75,1.0,0.5209461311767528,0.8446645192241793,0.9660578438763622,0.9757813035432801,0.8268624494551435
EOS-2-29517,COc1nnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cc5F)n34)c2)o1,UBNDQHNGEUPLCB-UHFFFAOYSA-N,2,1,0.523,43,630,470.823,4.361,5,0.337,0.76,1.0,0.8548677266808307,0.8235556164759098,0.8256545130559935,0.7870005482831882,0.8227696011239805
EOS-2-29518,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cc5)o4)n23)cc1,DKXFAHVZSVVHEC-UHFFFAOYSA-N,2,1,0.662,1,372,470.823,4.675,5,0.338,0.8,1.0,0.8592796929614146,0.9498749228976766,0.8459752587211294,0.8526403262284971,0.8769425502021795
EOS-2-29519,FC(F)Oc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)cc1,FAKBEZDXGGDRHX-UHFFFAOYSA-N,2,1,0.671,1,679,470.823,4.675,5,0.338,0.81,1.0,0.8389418134466452,0.8607360701802481,0.8346583510383113,0.8436279213213624,0.8444910389966418
EOS-2-29520,FC(F)Oc1ccc(-c2nnc3cncc(OCc4noc(-c5cccc(Cl)c5)n4)n23)cc1,MMDTVVSRNNBSKG-UHFFFAOYSA-N,2,1,0.627,1,679,470.823,4.675,5,0.338,0.8,1.0,0.8057192790076074,0.8378281132204783,0.8240867658145432,0.8338102254814612,0.8253610958810226
EOS-2-29521,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)c5)o4)n23)cc1,RUTACYALGZNYRT-UHFFFAOYSA-N,2,1,0.684,27,996,470.823,4.675,5,0.338,0.73,1.0,0.9111695565759715,0.9114779658693716,0.8912942910013022,0.8722243163593997,0.8965415324515112
EOS-2-29522,Cn1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cc1-c1cncn(C)c1=O,CMPBSVCHDXZLCI-UHFFFAOYSA-N,2,1,0.354,95,956,470.827,3.009,5,0.397,0.55,1.0,0.37508566924816666,0.32687101637996024,0.5151548900006854,0.5724247824001096,0.44738408950723046
EOS-2-29523,COc1cc(-c2nnc3cncc(OCc4nnnn4-c4ccc(F)c(F)c4)n23)ccc1Cl,ORJNVFADFJIDNN-UHFFFAOYSA-N,2,1,0.473,34,612,470.827,3.286,5,0.372,0.7,1.0,0.5910492769515455,0.837836680145295,0.6430162428894524,0.6964995545199095,0.6921004386265506
EOS-2-29524,FCc1nc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)o1,OHGCTFLNPJARNN-UHFFFAOYSA-N,2,1,0.506,75,263,470.827,3.515,5,0.352,0.55,1.0,0.7335343705023645,0.6155935165512988,0.19694503461037627,0.26225926941265165,0.45208304776917274
EOS-2-29525,Cn1cnnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,VSTBOWUPLIVAIY-UHFFFAOYSA-N,2,1,0.625,36,996,470.827,4.029,5,0.366,0.78,1.0,0.6305856349804674,0.8378452470701118,0.7630131587965184,0.747729764923583,0.7447934514426702
EOS-2-29526,Cn1c(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2F)n[nH]c1=O,YTRJHGPPIXGRBX-UHFFFAOYSA-N,2,1,0.484,47,526,470.827,2.786,5,0.42,0.57,1.0,0.5738297580700432,0.5765112055376602,0.5008652594064834,0.5911606469741622,0.5605917174970872
EOS-2-29527,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnn(-c5cccnc5Cl)n4)n23)cc1,VFCZSKOLVOLEAO-UHFFFAOYSA-N,2,1,0.616,27,996,470.827,3.601,5,0.332,0.73,0.999,0.35431087656774723,0.6105475978342814,0.6602357617709547,0.6674833801658556,0.5731444040847097
EOS-2-29528,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nnn(-c5ccc(Cl)cc5)n4)n23)cc1,XWVSIKCSFXSHDU-UHFFFAOYSA-N,2,1,0.662,34,612,470.827,3.601,5,0.355,0.67,1.0,0.42414844767322324,0.7027362757864437,0.6602443286957713,0.7185508189980124,0.6264199677883626
EOS-2-29529,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)nc2F)o1,CKSREDGCWAZLLO-UHFFFAOYSA-N,2,1,0.414,58,237,470.827,3.493,5,0.343,0.54,0.987,0.6697793160167227,0.6340895072304845,0.3452984716606127,0.3905147008429854,0.5099204989377013
EOS-2-29530,FC(F)n1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1,CFEOSUCJJBTKRC-UHFFFAOYSA-N,2,1,0.528,36,447,470.831,2.905,5,0.353,0.68,1.0,0.7777397025563704,0.7745785072990199,0.28317113289013773,0.33241381673634435,0.541975789870468
EOS-2-29531,FC(F)n1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,XBBIATMLHGRFRB-UHFFFAOYSA-N,2,1,0.465,36,602,470.831,2.905,5,0.353,0.71,1.0,0.6026745939277637,0.6583424713864711,0.3414690562675622,0.37438318141319993,0.4942173257487492
EOS-2-29532,FC(F)n1nncc1-c1cnnc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,OIPITJLDFXZVME-UHFFFAOYSA-N,2,1,0.394,53,466,470.831,2.905,5,0.33,0.49,0.702,0.4059951339867041,0.39414707696525253,0.35303440477006376,0.3933503529573025,0.38663174216983076
EOS-2-29533,Clc1cc(-c2nnco2)cnc1Oc1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,YOGFZFFSMPCKFB-UHFFFAOYSA-N,2,1,0.316,80,596,470.84,3.534,6,0.365,0.66,1.0,0.5495767939140566,0.5110941676375849,0.2681019121376191,0.27691727777397024,0.4014225378658077
EOS-2-29534,FC(F)(F)c1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,ZHWLKUKNVOSFCA-UHFFFAOYSA-N,2,1,0.649,43,138,470.842,5.228,5,0.352,0.79,1.0,0.9181858680008225,0.8935902268521692,0.987749297512165,0.9724744705640463,0.9429999657323008
EOS-2-29535,COc1cc(-c2nnc3cncc(-c4cnn(-c5ccc(C(F)F)c(F)c5)c4)n23)ccc1Cl,FNRHJYCSVFFZMV-UHFFFAOYSA-N,2,1,0.327,96,315,470.842,5.383,5,0.345,0.7,1.0,0.11704989377013228,0.507144815297101,0.9832088273593311,0.9762010828592969,0.6459011548214653
EOS-2-29536,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1-c1ccc(Cl)cc1,HZNZUFUJDFCIBB-UHFFFAOYSA-N,2,1,0.518,34,965,470.842,4.842,5,0.344,0.75,0.999,0.6363340415324515,0.6974847508738263,0.9490267973408265,0.9565399904050442,0.8098463950380372
EOS-2-29537,Cn1nc(-c2nnc3cncc(OCc4c(F)ccc(F)c4F)n23)cc1-c1ccc(Cl)cc1,HRFWIZCIAGGRPX-UHFFFAOYSA-N,2,1,0.506,34,965,470.842,4.842,5,0.344,0.75,1.0,0.6081745596600644,0.687821259680625,0.9409567541635254,0.9531389212528271,0.7975228736892604
EOS-2-29538,FC(F)(F)n1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,WGAGEYYVSXLKTJ-UHFFFAOYSA-N,2,1,0.676,43,138,470.842,5.364,5,0.345,0.84,1.0,0.8135494482900418,0.92482523473374,0.9881176752792817,0.9753615242272634,0.9254634706325817
EOS-2-29539,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cncn4C(F)F)cc3)n12,JMEHKMSYZDQGEV-UHFFFAOYSA-N,2,1,0.518,43,521,470.842,5.421,5,0.331,0.68,1.0,0.9424730998560756,0.907417243506271,0.9791738057706806,0.9765437598519635,0.9514019772462476
EOS-2-29540,Fc1cc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5ccn(C(F)F)n5)cc4)n23)c1,ODYSUEXGCWZIFX-UHFFFAOYSA-N,2,1,0.582,43,178,470.842,5.421,5,0.331,0.69,1.0,0.8002707148242068,0.8882787334658351,0.9690134329381125,0.9618343499417449,0.9048493077924749
EOS-2-29541,Cn1c(F)cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)c1-c1ccc(F)cc1,ONDYQVSXKUETGE-UHFFFAOYSA-N,2,1,0.467,34,526,470.842,4.842,5,0.367,0.61,0.949,0.6697878829415393,0.7704920841614694,0.9215184017545062,0.9374614488383249,0.8248149544239599
EOS-2-29542,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)cc1Cl,SYFXJETZZLARCA-UHFFFAOYSA-N,2,1,0.726,43,96,470.842,5.421,5,0.331,0.71,1.0,0.8705794667945994,0.9265557535467068,0.9800990336508807,0.9741621547529299,0.9378491021862791
EOS-2-29543,Fc1ccc(-c2nn(C(F)F)cc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,BSFLRDUPNHOMNT-UHFFFAOYSA-N,2,1,0.632,34,372,470.842,5.421,5,0.331,0.75,1.0,0.8290298814337606,0.9360821739428414,0.9490353642656432,0.9531474881776437,0.9168237269549722
EOS-2-29544,Cn1ccc(-c2cc(Cl)c(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cc2F)n1,FHCKZYPWRNZOQM-UHFFFAOYSA-N,2,1,0.58,59,607,470.842,4.842,5,0.367,0.66,1.0,0.8314800219313275,0.8982763347268864,0.9693646768555959,0.9683195120279624,0.9168601363854431
EOS-2-29545,Cn1nc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cc1-c1ccc(F)cc1,LUCNWWQOUJEWMR-UHFFFAOYSA-N,2,1,0.506,34,965,470.842,4.842,5,0.344,0.72,1.0,0.6026831608525803,0.663217051607155,0.9409653210883421,0.952573504214927,0.789859759440751
EOS-2-29546,Cn1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1-c1ccc(Cl)c(F)c1,XUVRLUCJIBLLMQ-UHFFFAOYSA-N,2,1,0.477,34,570,470.842,4.842,5,0.367,0.74,0.994,0.5851895003769447,0.6729919128229731,0.9515369063121102,0.9601895003769447,0.7924769549722432
EOS-2-29547,Cn1cc(-c2cc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)ccc2F)cn1,PCWOXIKRKJECCO-UHFFFAOYSA-N,2,1,0.549,34,607,470.842,4.842,5,0.344,0.61,1.0,0.7917466246316223,0.8636059899938319,0.9732968953464465,0.9721232266465629,0.9001931841546158
EOS-2-29548,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)ccc1Cl,BCPACSPJOVZJBZ-UHFFFAOYSA-N,2,1,0.726,43,96,470.842,5.421,5,0.331,0.7,1.0,0.8747087245562333,0.9265643204715236,0.9801076005756973,0.9736652731135631,0.9387614796792543
EOS-2-29549,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)c4)cc3)n12,UCMNPXFSBINIJJ-UHFFFAOYSA-N,2,1,0.554,43,178,470.842,5.421,5,0.331,0.72,1.0,0.7974179288602563,0.8909773147830855,0.9785569871838805,0.972483037488863,0.9098588170790214
EOS-2-29550,Fc1cc(-n2cccc2C(F)F)ccc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,QUEJLIFUJVMFGO-UHFFFAOYSA-N,2,1,0.402,59,445,470.842,5.286,5,0.337,0.63,0.999,0.6604499348913714,0.6730004797477898,0.9717719827290796,0.9678568980878623,0.8182698238640258
EOS-2-29551,Cn1nncc1-c1ncc(-c2nnc3cncc(-c4cnc(-c5cnc(Cl)nn5)cn4)n23)cn1,CPVFJJYYMNHCEU-UHFFFAOYSA-N,2,1,0.256,86,513,470.848,1.339,6,0.363,0.58,1.0,0.06584538414090878,0.1619405798094716,0.01986669864985265,0.030755260091837433,0.06960198067301762
EOS-2-29552,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3nccnc3-c3cccc(Cl)c3)n12,PYPADCJQPZOKNE-UHFFFAOYSA-N,2,1,0.329,64,27,470.855,4.758,6,0.363,0.65,1.0,0.30283222534439036,0.39415564389006924,0.6367366869988349,0.7502227400452334,0.5209868240696319
EOS-2-29553,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ocnc3-c3ccc(Cl)cc3)n12,WUAVTVUPXILAIB-UHFFFAOYSA-N,2,1,0.354,3,192,470.855,4.758,6,0.363,0.69,1.0,0.3475173051881297,0.4533787951476938,0.7265351929271469,0.8137978891097252,0.5853072955931738
EOS-2-29554,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)nc2)cc1,SSJRKGKTMNULRG-UHFFFAOYSA-N,2,1,0.321,3,572,470.855,4.758,6,0.339,0.79,0.933,0.26518915769995205,0.4576879583304777,0.6161589335891988,0.7290453018984305,0.5170203378795147
EOS-2-29555,Fc1cnc(-c2ccc(Cl)c(-c3nnc4cncc(-c5ccc(-c6cnoc6)cn5)n34)c2)nc1,MHPSAHKTRUDZJC-UHFFFAOYSA-N,2,1,0.338,42,106,470.855,4.758,6,0.363,0.62,1.0,0.3888184497292852,0.47081248714961277,0.7159721746281955,0.7682389829346857,0.5859605236104448
EOS-2-29556,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnn6)o5)n34)cc2)cc1Cl,WTDRXIATMBTINE-UHFFFAOYSA-N,2,1,0.342,3,641,470.855,4.758,6,0.363,0.78,0.999,0.3819734768007676,0.5916832293879789,0.654401685970804,0.7658830786101021,0.5984853676924131
EOS-2-29557,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnc(Cl)o5)cn4)n23)c1,AKZLVZWDVCLWMT-UHFFFAOYSA-N,2,1,0.387,32,572,470.855,4.758,6,0.363,0.65,0.989,0.32572304845452676,0.4222894249880063,0.555830649030224,0.6445925570557193,0.48710891988211913
EOS-2-29558,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cc(-c4cccnn4)ccc3Cl)n12,PYZRJUPUCILZCQ-UHFFFAOYSA-N,2,1,0.346,3,923,470.855,4.758,6,0.363,0.66,1.0,0.3358063189637448,0.5342334315674045,0.7816547871975875,0.827676307312727,0.6198427112603659
EOS-2-29559,Fc1ccc(-c2nnc(-c3cncc(-c4cncc5nnc(-c6ccc(Cl)cc6)n45)n3)o2)cc1,MTYLMIAUXMMKAB-UHFFFAOYSA-N,2,1,0.435,3,950,470.855,4.758,6,0.363,0.72,1.0,0.3680779247481324,0.6828353094373244,0.6010211774381468,0.7346480707285313,0.5966456205880337
EOS-2-29560,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)cn2)cc1,RRWBILJVCZJBDF-UHFFFAOYSA-N,2,1,0.354,3,572,470.855,4.758,6,0.339,0.78,0.987,0.2625676787060517,0.5342419984922212,0.6249143307518333,0.7290538688232472,0.5376944691933383
EOS-2-29561,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c(Cl)cc1-c1nnco1,RQXVIPXDHIWLDD-UHFFFAOYSA-N,2,1,0.342,3,171,470.855,4.758,6,0.363,0.68,1.0,0.3002193132753067,0.462296963881845,0.8313857857583442,0.8541995065451305,0.6120253923651566
EOS-2-29562,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)cc2)cn1,HOAHTWGTYHBJBQ-UHFFFAOYSA-N,2,1,0.347,3,641,470.855,4.758,6,0.339,0.74,1.0,0.2923120416695223,0.5024415735727503,0.6766157220204235,0.7477383318483997,0.5547769172777739
EOS-2-29563,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)cc3)n12,XAMHKFUBYFSUPE-UHFFFAOYSA-N,2,1,0.351,9,867,470.855,4.758,6,0.363,0.68,1.0,0.3975310122678363,0.47967925433486397,0.7188249605921458,0.7527928174902337,0.5872070111712699
EOS-2-29564,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cn2)nc1,LDTWSFCDGGQNQW-UHFFFAOYSA-N,2,1,0.284,86,664,470.859,3.684,6,0.358,0.63,0.978,0.02142587896648619,0.12853813994928381,0.42676992666712354,0.529967103008704,0.2766752621478994
EOS-2-29565,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncc(Cl)n6)nn5)n34)cc2)nc1,FGLXFXXNTIPFAO-UHFFFAOYSA-N,2,1,0.374,10,620,470.859,3.684,6,0.383,0.65,1.0,0.0317490233705709,0.18694743334932493,0.4628966486190117,0.5819769035706943,0.31589250222740045
EOS-2-29566,Fc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(Cl)nc6)nc5)n34)cc2)n[nH]1,GPNMAKTVAVNRFM-UHFFFAOYSA-N,2,1,0.321,42,106,470.859,3.888,6,0.385,0.61,1.0,0.31583681721609214,0.4267356589678569,0.504309163182784,0.5498081008841066,0.4491724350627099
EOS-2-29567,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncc(Cl)cn6)nn5)n34)cc2)nc1,GIQOBVIEYXPNKH-UHFFFAOYSA-N,2,1,0.313,10,618,470.859,3.684,6,0.383,0.71,1.0,0.0342505654170379,0.2197930230964293,0.3868994585703516,0.5164913302720855,0.28935859433897604
EOS-2-29568,Fc1cccc(Cl)c1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)n1,WRJWRYUGYLTKNL-UHFFFAOYSA-N,2,1,0.338,3,973,470.859,3.684,6,0.383,0.74,1.0,0.08227674593927764,0.29714378726612295,0.29767493660475636,0.462708176273045,0.2849509115208005
EOS-2-29569,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ncc(Cl)cn6)n5)n34)cc2)nc1,WCXWKCWKSTUGST-UHFFFAOYSA-N,2,1,0.313,42,635,470.859,3.684,6,0.383,0.7,1.0,0.050330683297923375,0.2506253855116167,0.3196233979850593,0.45009766294291004,0.2676692824343774
EOS-2-29570,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nc[nH]n6)cc5Cl)n34)nc2)n1,DVJMPXQULAJFBT-UHFFFAOYSA-N,2,1,0.267,70,392,470.859,3.888,6,0.385,0.57,0.995,0.2730450277568364,0.38956377218833527,0.4486669864985265,0.5464670002056062,0.4144356966623261
EOS-2-29571,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1Cl,MLAADKBNSWZODU-UHFFFAOYSA-N,2,1,0.338,3,7,470.859,3.888,6,0.411,0.67,1.0,0.31063669385237475,0.52522102666027,0.5912805839215955,0.6763415804262902,0.5258699712151327
EOS-2-29572,Fc1ccc(-c2nnc3cncc(-c4nc5ccccc5nc4-c4ccc(F)c(Cl)c4)n23)cc1,LBJSANPSHWVEOF-UHFFFAOYSA-N,2,1,0.425,83,950,470.87,6.0,6,0.317,0.78,1.0,0.43314371873072444,0.7615996162017682,0.9082396682886711,0.9544924953738606,0.7643688746487561
EOS-2-29573,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)c(Cl)c4)n23)nn1C,DVWVUUUIRHDSCF-UHFFFAOYSA-N,2,1,0.462,36,911,470.871,4.324,5,0.367,0.62,0.989,0.4660578438763621,0.610556164759098,0.7794359536700706,0.7105578781440615,0.641651960112398
EOS-2-29574,COc1nc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1nccs1,VSWRCNGAQRWLCF-UHFFFAOYSA-N,2,1,0.371,49,501,470.877,3.48,5,0.344,0.58,1.0,0.5654941402234254,0.5576040024672744,0.16744054554177232,0.16206051675690494,0.36314980124734425
EOS-2-29575,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc6ccn6nnc5)on4)n23)cc1,WNZLVHAKIXZAEA-UHFFFAOYSA-N,2,1,0.527,4,744,470.88,4.336,6,0.366,0.67,1.0,0.602691727777397,0.7488691659241998,0.5187615653485025,0.5229422246590364,0.598316170927284
EOS-2-29576,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc(=O)[nH]o5)cc4)n23)c(Cl)c1,GKCLCEVXSNRVTJ-UHFFFAOYSA-N,2,1,0.313,9,867,470.88,3.856,6,0.415,0.65,1.0,0.3866253169762182,0.2971523541909396,0.5043177301076006,0.522950791583853,0.42776154821465284
EOS-2-29577,Clc1nc(-c2ncco2)cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)n1,SNDBZFIWMUFNNJ-UHFFFAOYSA-N,2,1,0.404,28,603,470.88,4.259,6,0.332,0.61,1.0,0.45211945719964364,0.34127201699677884,0.4232232197930231,0.43119045987252413,0.41195128846549245
EOS-2-29578,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5ncnc5-c5ccccn5)o4)n23)cc1,VNFRMLYFBHVKCD-UHFFFAOYSA-N,2,1,0.527,81,850,470.88,4.259,6,0.355,0.7,1.0,0.6054674114179974,0.7445771365910493,0.38690802549516823,0.44715920773079293,0.546027945308752
EOS-2-29579,O=c1ccn2nncc(-c3cccc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)c3)n12,PSXJHJFWYGXGQB-UHFFFAOYSA-N,2,1,0.58,43,709,470.88,3.193,6,0.381,0.57,1.0,0.6967308614899596,0.7664056610239188,0.5388681378932219,0.6646477280515386,0.6666630971146597
EOS-2-29580,Clc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)o2)c1,XFNYMBLWYCPRGU-UHFFFAOYSA-N,2,1,0.489,40,763,470.88,4.464,6,0.378,0.61,1.0,0.7151240490713453,0.6926530052772257,0.5689294770749092,0.5754746076348434,0.6380452847645809
EOS-2-29581,CN=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)s1,LMLKHCUGIFKNHQ-UHFFFAOYSA-N,2,1,0.374,51,379,470.881,2.33,5,0.387,0.51,0.876,0.4832773627578644,0.44458056336097596,0.08096600644232746,0.08936159276266191,0.27454638133095743
EOS-2-29582,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)cc5Cl)n34)cc2)o1,DBDSQOXHXDYLGQ-UHFFFAOYSA-N,2,1,0.313,98,303,470.884,3.661,6,0.379,0.68,1.0,0.27055205263518606,0.32232197930230966,0.22478754026454664,0.26826468370913575,0.2714815639777945
EOS-2-29583,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nncn6C)cc5Cl)n34)cc2)o1,WWAPTHCQDBGUSE-UHFFFAOYSA-N,2,1,0.337,98,424,470.884,3.661,6,0.379,0.69,1.0,0.19149647042697554,0.27635186073607015,0.19695360153519292,0.24122746898773217,0.2265073504214927
EOS-2-29584,Clc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)nn1,BYJCEULGPOWRMM-UHFFFAOYSA-N,2,1,0.506,43,611,470.884,3.39,6,0.392,0.65,1.0,0.4931892947707491,0.44016003015557537,0.4303337673908574,0.42187821259680625,0.44639032622849706
EOS-2-29585,Clc1ccc(-n2cccn2)c(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1,MVACHYSQSYFWBP-UHFFFAOYSA-N,2,1,0.523,67,499,470.884,3.39,6,0.392,0.73,1.0,0.5209546981015695,0.5433657734219725,0.4699900623672127,0.4993574806387499,0.5084170036323761
EOS-2-29586,CN=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6)n5)n34)cc2)o1,UTJXYAOTAPJOLM-UHFFFAOYSA-N,2,1,0.318,3,783,470.884,3.206,6,0.419,0.43,0.996,0.08919025426632855,0.2251730518812967,0.24647899390034952,0.2857926118840381,0.21165872798300323
EOS-2-29587,Cn1nncc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5cc(Cl)[nH]n5)cn4)n23)cc1,RXNFCIFDXBWGJX-UHFFFAOYSA-N,2,1,0.385,67,622,470.884,3.818,6,0.403,0.65,1.0,0.39542354876293606,0.5205520526351861,0.4342916866561579,0.42483380165855666,0.4437752724282092
EOS-2-29588,Cn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,SHYHZUIADSVKPF-UHFFFAOYSA-N,2,1,0.365,67,622,470.884,3.818,6,0.377,0.61,1.0,0.49822664656294974,0.557612569392091,0.40136042766088686,0.3807484065519841,0.45948701254197793
EOS-2-29589,Cn1nc(-c2ccc(Cl)cc2)nc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cn3)n12,WTVIHAVDQFZWLL-UHFFFAOYSA-N,2,1,0.38,13,622,470.884,3.818,6,0.403,0.66,1.0,0.42666712356932357,0.5433743403467891,0.21118326365567816,0.2651977246247687,0.3616056130491399
EOS-2-29590,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(Cl)cc(-c6nnnn6C)c5)n34)nc2)n[nH]1,JCFCBPMADKTUIU-UHFFFAOYSA-N,2,1,0.264,99,866,470.888,2.791,6,0.411,0.61,0.999,0.08009218011102734,0.24563086834349943,0.09287403193749572,0.14882461791515317,0.1418554245767939
EOS-2-29591,Cn1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6nc(Cl)n(C)n6)cc5)n34)n2)cn1,ZWOALGGSGZUTOX-UHFFFAOYSA-N,2,1,0.321,98,882,470.888,2.493,6,0.381,0.67,1.0,0.11705846069494893,0.2605630182989514,0.0722791446782263,0.09319957508052909,0.13577504968816392
EOS-2-29592,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)cc1F,JRNRWXYUPRQBHY-UHFFFAOYSA-N,2,1,0.436,44,130,470.892,4.863,5,0.352,0.73,0.987,0.8786923445959838,0.819580563360976,0.8131553697484751,0.8526488931533137,0.8410192927146871
EOS-2-29593,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5Cl)n34)ccn2)s1,GJPGKDZLXSACNU-UHFFFAOYSA-N,2,1,0.506,59,577,470.892,5.129,5,0.331,0.74,1.0,0.777748269481187,0.7918494277294222,0.8601021177438147,0.8576348433966143,0.8218336645877595
EOS-2-29594,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)ccn2)s1,YZBKFURWGXOOIM-UHFFFAOYSA-N,2,1,0.494,59,577,470.892,5.129,5,0.331,0.81,1.0,0.7945565759714893,0.7998423685833733,0.8525717908299637,0.8491621547529299,0.824033222534439
EOS-2-29595,COc1cc(C(F)F)c(Cl)cc1-c1nnc2cncc(-c3ccc(-c4csnn4)cc3)n12,AXFYUCPJBVKSLL-UHFFFAOYSA-N,2,1,0.353,96,697,470.892,5.576,5,0.334,0.78,1.0,0.3106452607771914,0.4796878212596806,0.9417020766225755,0.9211585909122062,0.6632984373929134
EOS-2-29596,FC(F)c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cs2)cn1,HSTYMVSLVNKOPU-UHFFFAOYSA-N,2,1,0.548,1,436,470.892,5.48,5,0.327,0.73,1.0,0.8267510794325269,0.9298197519018573,0.8443903776300459,0.8338187924062779,0.858695000342677
EOS-2-29597,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)n1,DWVBXUYAJGETAH-UHFFFAOYSA-N,2,1,0.43,44,500,470.892,5.129,5,0.354,0.72,1.0,0.7862466588993215,0.7788362689329038,0.7988486053046399,0.8257230484545267,0.797413645397848
EOS-2-29598,Fc1cc(CCOc2cncc3nnc(-c4cnc(-c5cncs5)c(F)c4)n23)ccc1Cl,AZCYYQPJNNJMSO-UHFFFAOYSA-N,2,1,0.679,84,360,470.892,4.863,5,0.352,0.74,1.0,0.9079826605441711,0.9265728873963403,0.8427455280652457,0.8659104927695155,0.8858028921938181
EOS-2-29599,Cc1csc(-c2cc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)ccn2)n1,YXHKMWVRWSXQGE-UHFFFAOYSA-N,2,1,0.5,59,912,470.892,5.129,5,0.331,0.73,1.0,0.8548762936056473,0.8156997464190254,0.8111592762661914,0.8138064560345418,0.8238854430813515
EOS-2-29600,Cc1cc(-c2nnc3cncc(OCc4nc(-c5ccc(F)c(F)c5)ns4)n23)ccc1Cl,MQHIVZDZXOFDMA-UHFFFAOYSA-N,2,1,0.53,34,929,470.892,5.129,5,0.354,0.79,1.0,0.7306644506887807,0.8692944280720992,0.7794445205948872,0.8417945994105955,0.8052994996915906
EOS-2-29601,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)nc1,CCYVVMMCFXYOFQ-UHFFFAOYSA-N,2,1,0.523,37,141,470.892,4.863,5,0.352,0.77,1.0,0.9701442670139127,0.957859296826811,0.7470615447878829,0.7917123569323555,0.8666943663902406
EOS-2-29602,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nn2)cc1F,FKRBCZMKONVOBL-UHFFFAOYSA-N,2,1,0.456,19,691,470.892,4.863,5,0.352,0.78,0.962,0.90006682201357,0.8636145569186485,0.7770115139469536,0.8418031663354122,0.8456240148036461
EOS-2-29603,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)cc(Cl)cc5F)n34)ccn2)s1,FFIQQNQZQWASFH-UHFFFAOYSA-N,2,1,0.5,59,577,470.892,5.129,5,0.354,0.67,1.0,0.7542834624083339,0.7616081831265848,0.8411692138989788,0.841811733260229,0.7997181481735316
EOS-2-29604,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5F)n34)ccn2)s1,NQHJGWDIJGNBKE-UHFFFAOYSA-N,2,1,0.506,59,577,470.892,5.129,5,0.331,0.7,1.0,0.7833082036872044,0.7954475361524227,0.872883969570283,0.857643410321431,0.8273207799328353
EOS-2-29605,Fc1cc(F)cc(-c2cnc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cn2)c1,QRCQAFKOOWJQGX-UHFFFAOYSA-N,2,1,0.53,18,773,470.892,4.863,5,0.352,0.58,0.999,0.7601775066822014,0.7664142279487355,0.7941881982043726,0.8507813035432801,0.7928903090946473
EOS-2-29606,Fc1cnc(F)c(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)c1,LOIACSRSFBGHPB-UHFFFAOYSA-N,2,1,0.505,75,525,470.892,4.863,5,0.33,0.68,1.0,0.9167551915564389,0.87487149612775,0.7878486738400384,0.8159995887876088,0.8488687375779591
EOS-2-29607,Cc1nc(Oc2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)s1,RPNSVPSIYMWNID-UHFFFAOYSA-N,2,1,0.413,96,586,470.892,6.002,5,0.313,0.71,0.999,0.45881022548146116,0.6878298266054417,0.7900675073675554,0.7846789116578713,0.6803466177780824
EOS-2-29608,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c(F)cc1-c1ccnnc1,KARUIEWXSNUFOR-UHFFFAOYSA-N,2,1,0.483,37,202,470.892,4.863,5,0.352,0.71,1.0,0.9126173668699884,0.9134654924268385,0.8645140840243986,0.8863768761565348,0.8942434548694401
EOS-2-29609,Cc1ncc(-c2nc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccc2F)s1,OWFOPNTUUAEJPN-UHFFFAOYSA-N,2,1,0.407,59,332,470.892,5.129,5,0.354,0.73,1.0,0.7061630457131108,0.757607429237201,0.741981358371599,0.7963727640326228,0.7505311493386334
EOS-2-29610,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)nc1F,XDMQAURJJVNKDB-UHFFFAOYSA-N,2,1,0.495,58,143,470.892,4.863,5,0.33,0.64,1.0,0.857000890960181,0.9027568364060037,0.7291052703721472,0.7682475498595024,0.8142776368994586
EOS-2-29611,Fc1cnc(F)c(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ccn2)c1,HKOIBZOBYRFBAP-UHFFFAOYSA-N,2,1,0.541,75,496,470.892,4.863,5,0.33,0.58,1.0,0.8456325817284628,0.8378538139949284,0.8202145157974093,0.8398927421012953,0.835898413405524
EOS-2-29612,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5nccs5)ccc4Cl)n23)cn1,NCGRZEFRJCRDSU-UHFFFAOYSA-N,2,1,0.479,97,430,470.892,5.48,5,0.327,0.73,1.0,0.8240610650400932,0.898284901651703,0.910098690973888,0.8876190802549517,0.880015934480159
EOS-2-29613,N#Cc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)cc1F,GBHPAMRBVYLZMO-UHFFFAOYSA-N,2,1,0.612,91,660,470.895,5.139,5,0.341,0.76,1.0,0.9691762045096293,0.9614916729490782,0.9389606606812418,0.9391319991775752,0.9521901343293812
EOS-2-29614,Cn1ncc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)c1-c1cccc(Cl)c1,XJKSAGDCCRGREK-UHFFFAOYSA-N,2,1,0.357,3,673,470.899,4.837,6,0.368,0.67,1.0,0.024689877321636626,0.1785432801041738,0.7392656432047152,0.8298266054417106,0.44308135151805905
EOS-2-29615,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)c6F)c5)n34)cc2)cn1,BOXXSERAERMKHG-UHFFFAOYSA-N,2,1,0.346,3,150,470.899,4.837,6,0.368,0.7,1.0,0.048882873003906514,0.3071328216023576,0.8570351586594476,0.8691573572750325,0.5205520526351861
EOS-2-29616,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6F)c5)n34)cc2)cn1,UVYFFHPTQUKHGH-UHFFFAOYSA-N,2,1,0.337,3,150,470.899,4.837,6,0.368,0.68,1.0,0.03045541772325406,0.3223305462271263,0.8525803577547804,0.8707336714412994,0.5190249982866151
EOS-2-29617,OCCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccc2F)cn1,LSPRXRBNUOXYIR-UHFFFAOYSA-N,2,1,0.478,4,394,470.917,4.08,5,0.385,0.68,1.0,0.49823521348776645,0.5433829072716058,0.6954458227674594,0.7132478925364951,0.6125779590158317
EOS-2-29618,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ccc2F)n(C)n1,VKBIFOBRWLFCLR-UHFFFAOYSA-N,2,1,0.56,37,125,470.921,3.766,5,0.372,0.7,1.0,0.5738383249948599,0.7488777328490165,0.1455177849359194,0.22069255020217943,0.42223159824549383
EOS-2-29619,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)s4)n23)c(F)c1,UUXRJLYTMLIFFA-UHFFFAOYSA-N,2,1,0.484,37,908,470.921,3.94,5,0.355,0.68,1.0,0.6394010006168186,0.6244602837365499,0.17046467000205606,0.24988006305256666,0.4210515043519978
EOS-2-29620,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4scnc4Cl)n23)c(F)c1,KADABSGAWFXZGO-UHFFFAOYSA-N,2,1,0.534,37,908,470.921,3.94,5,0.355,0.64,1.0,0.6277842505654171,0.7257813035432801,0.1935011308340758,0.2829226920704544,0.45749734425330685
EOS-2-29621,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1cnc(CF)s1,ZXEKXPUGWCGNAA-UHFFFAOYSA-N,2,1,0.454,95,235,470.921,3.788,5,0.357,0.59,0.955,0.3565554108697142,0.312384346514975,0.13041429648413405,0.19200191899115893,0.24783899321499553
EOS-2-29622,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)ccc1F,OEMZBUFHAMSXLH-UHFFFAOYSA-N,2,1,0.478,26,125,470.921,3.94,5,0.355,0.72,1.0,0.5157117401137687,0.5817969981495442,0.20760228908231101,0.30088753341100677,0.40149964018915774
EOS-2-29623,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cnc(CF)s1,KBEWTTMCSITPHT-UHFFFAOYSA-N,2,1,0.431,95,493,470.921,3.788,5,0.334,0.53,1.0,0.33327907614282776,0.2971609211157563,0.17047323692687272,0.22070111712699608,0.25540358782811323
EOS-2-29624,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5sc(CF)nc5Cl)n34)c2)cn1,JHFBBXBCCLTQIY-UHFFFAOYSA-N,2,1,0.406,18,711,470.921,3.788,5,0.357,0.63,1.0,0.33581488588856145,0.3019498320882736,0.12480296072921664,0.17272633815365637,0.233823504214927
EOS-2-29625,CCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5c(F)nsc5Cl)n34)c2)cn1,IMMBIQRIRRIIMW-UHFFFAOYSA-N,2,1,0.418,18,711,470.921,3.94,5,0.355,0.65,1.0,0.3659276266191488,0.3314543211568775,0.1969621684600096,0.2442772942224659,0.2846553526146255
EOS-2-29626,Cc1ccc(-c2ncc(Cl)nn2)cc1-c1cncc2nnc(-c3ccc(C(=O)N(C)C)cc3)n12,ZKZYQUIEXVASNA-UHFFFAOYSA-N,2,1,0.415,61,124,470.924,3.974,5,0.391,0.77,1.0,0.23280618189294772,0.20495510931396066,0.3011959427044068,0.22348536769241314,0.24061065040093207
EOS-2-29627,Clc1cc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccn2)nc(C2CC2)n1,AOTDRUYBRRNPEH-UHFFFAOYSA-N,2,1,0.548,75,819,470.924,4.191,6,0.326,0.58,0.999,0.6394095675416352,0.7121427592351449,0.06787574532245905,0.1620690836817216,0.3953742889452402
EOS-2-29628,Cc1nc(-c2cccc(Cl)c2)c(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)s1,QGDICBVRIKBNSW-UHFFFAOYSA-N,2,1,0.358,69,299,470.945,6.199,6,0.305,0.73,1.0,0.17152696867932288,0.34648927421012954,0.5724504831745597,0.6853454184086081,0.44395303611815506
EOS-2-29629,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cccc(Cl)c6)cs5)n34)cc2)o1,OFJQVBOLQBBYCI-UHFFFAOYSA-N,2,1,0.37,93,479,470.945,6.199,6,0.305,0.69,1.0,0.2651977246247687,0.502450140497567,0.6367452539236516,0.6908967856898088,0.5238224761839491
EOS-2-29630,Cc1cc(-c2ccoc2)ccc1-c1nnc2cncc(-c3nnc(-c4ccc(Cl)cc4)s3)n12,BXWHFNDBXKJVCH-UHFFFAOYSA-N,2,1,0.333,3,641,470.945,6.199,6,0.305,0.78,1.0,0.14135425947501884,0.3412805839215955,0.627681447467617,0.7373209512713317,0.4619093105338908
EOS-2-29631,Cc1c(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nnn1-c1cccc(Cl)c1,OXRNPKGNHAKUQK-UHFFFAOYSA-N,2,1,0.315,3,783,470.949,5.124,6,0.355,0.7,1.0,0.008986704132684532,0.20043177301076007,0.37572818860941676,0.5164998971969021,0.27541164073744084
EOS-2-29632,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccc(Cl)c5)n34)s2)n[nH]1,ORDSQSBEDYFKFC-UHFFFAOYSA-N,2,1,0.36,76,750,470.949,5.329,6,0.374,0.66,0.934,0.19412651634569256,0.37045952984716607,0.3492049893770132,0.47211465972174627,0.34647642382290456
EOS-2-29633,Cn1cc(-c2ccc(-c3cncc4nnc(-c5scnc5-c5cccc(Cl)c5)n34)nc2)cn1,DPTZLUDMMYHVMC-UHFFFAOYSA-N,2,1,0.358,32,714,470.949,5.031,6,0.359,0.74,1.0,0.10390823110136385,0.20987252415872798,0.48035604139538074,0.5787814406140772,0.34322955931738747
EOS-2-29634,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)c(Cl)c1,GBBDZSTUYUHPCT-UHFFFAOYSA-N,2,1,0.329,9,38,470.949,5.031,6,0.359,0.59,1.0,0.12497429922554999,0.2660201494071688,0.6304656980330341,0.6965081214447262,0.4294920670276198
EOS-2-29635,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cc5)s4)n23)cc1,NBMWBDXDANKFIP-UHFFFAOYSA-N,2,1,0.392,3,641,470.949,5.031,6,0.359,0.66,1.0,0.15538688232472073,0.32233911315194297,0.3980021931327531,0.5063223905147008,0.3455126447810294
EOS-2-29636,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(Cl)cc6)n5)n34)cc2)cs1,SLVKPTQVDYPKTH-UHFFFAOYSA-N,2,1,0.36,3,289,470.949,5.124,6,0.355,0.77,1.0,0.055222397368240694,0.24563943526831608,0.4379668974025084,0.5229593585086697,0.3154470221369337
EOS-2-29637,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)cn2)cn1,VIUHBZVFDOOKPP-UHFFFAOYSA-N,2,1,0.34,70,191,470.949,5.031,6,0.359,0.61,1.0,0.15539544924953738,0.31239291343979164,0.5724590500993764,0.6092796929614146,0.41238177643753
EOS-2-29638,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)s4)n23)c(Cl)c1,JEGDESVCJAEKPE-UHFFFAOYSA-N,2,1,0.282,42,557,470.949,5.031,6,0.359,0.65,1.0,0.1941350832705092,0.27636042766088686,0.4117007059146049,0.47800870399561374,0.3400512302104037
EOS-2-29639,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5Cl)n34)cc2)n[nH]1,HJNGSVGIQCSUJB-UHFFFAOYSA-N,2,1,0.321,9,340,470.949,5.329,6,0.374,0.66,1.0,0.14136282639983552,0.3464978411349462,0.6709272839421562,0.7213008018641628,0.4700221883352752
EOS-2-29640,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)s3)n12,QSHKVEFKCSZMOC-UHFFFAOYSA-N,2,1,0.296,30,474,470.949,5.031,6,0.336,0.63,0.992,0.09398773216366253,0.2660287163319855,0.23949695017476527,0.4184086080460558,0.2544805016791173
EOS-2-29641,Cn1cc(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)c(-c2cccc(Cl)c2)n1,XVVDCIOLRXJNHB-UHFFFAOYSA-N,2,1,0.354,42,693,470.949,5.031,6,0.359,0.56,1.0,0.08010074703584401,0.23021897059831403,0.4873809197450483,0.581985470495511,0.34492152696867934
EOS-2-29642,Cc1ncnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4cc(Cl)[nH]n4)s3)n12,SBUZWDBGLJLNSB-UHFFFAOYSA-N,2,1,0.294,76,653,470.949,5.329,6,0.374,0.55,0.958,0.19700500308409294,0.3561613323281475,0.3305547940511274,0.4501062298677267,0.33345683983277363
EOS-2-29643,COc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)ns1,XQOVTOJEQKMRDK-UHFFFAOYSA-N,2,1,0.564,15,438,470.967,4.655,5,0.342,0.58,1.0,0.5851980673017614,0.5818055650743609,0.23569323555616475,0.2469930093893496,0.41242246933040916
EOS-2-29644,COc1cc(-c2nnc3cncc(OCc4nc(-c5ccns5)sc4C)n23)ccc1Cl,UUZWQHYOOGCYRO-UHFFFAOYSA-N,2,1,0.473,4,67,470.967,4.921,5,0.348,0.67,1.0,0.5390908779384552,0.6538619697073539,0.22853985333424714,0.24123603591254883,0.4156821842231513
EOS-2-29645,COCc1nc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)cn2)cs1,JZSORZVPDCXBBT-UHFFFAOYSA-N,2,1,0.462,55,283,470.967,4.75,5,0.339,0.71,1.0,0.4808015214858474,0.6010040435885134,0.3530429716948804,0.345135700089096,0.4449960592145843
EOS-2-29646,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1n[nH]c(=N)s1,PYZKHZDPMGETKE-UHFFFAOYSA-N,2,1,0.418,31,954,470.971,3.762,5,0.39,0.59,0.992,0.5107943252690015,0.5024587074223836,0.09288259886231238,0.10766911109588102,0.3034511856623946
EOS-2-29647,Cc1cc(C)cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)c1,VILBWLFWAUDERS-UHFFFAOYSA-N,2,1,0.441,83,533,428.898,6.535,5,0.328,0.81,1.0,0.44263587142759236,0.8117675279281749,0.9750274141594133,0.9814783085463642,0.8027272805153861
EOS-2-29648,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5ncns5)s4)n23)cc1,XRJDVCLCYFAQEK-UHFFFAOYSA-N,2,1,0.556,36,32,428.89,3.394,5,0.419,0.73,1.0,0.5968490850524296,0.7918579946542389,0.03923651566033857,0.12402337057089986,0.38799174148447674
EOS-2-29649,Cc1cnc(-c2ccnc(-c3nnc4cncc(CCc5ccnc(Cl)c5)n34)c2)cn1,FRGAUSVTGPGWKM-UHFFFAOYSA-N,2,1,0.309,18,720,428.887,3.785,5,0.393,0.71,0.999,0.2081934068946611,0.26057158522376805,0.3492135563018299,0.38075697347680076,0.299683880474265
EOS-2-29650,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,SFMHAIALXZYTMO-UHFFFAOYSA-N,2,1,0.517,11,275,428.883,4.523,5,0.395,0.78,1.0,0.8339215955040779,0.8882873003906517,0.6071636625316976,0.6733003221163731,0.7506682201357
EOS-2-29651,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,NULBXWKEXSILPF-UHFFFAOYSA-N,2,1,0.539,11,275,428.883,4.523,5,0.395,0.74,1.0,0.8389503803714619,0.8882958673154684,0.6010297443629635,0.6587194160784045,0.7467488520320744
EOS-2-29652,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cn1,WOLGOMONGKQZJX-UHFFFAOYSA-N,2,1,0.595,35,111,428.883,4.523,5,0.37,0.76,1.0,0.9541326845315605,0.9588187924062779,0.7518076211363169,0.7682561167843192,0.8582538037146186
EOS-2-29653,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,PCOHEDZGPIRKGK-UHFFFAOYSA-N,2,1,0.679,91,660,428.883,4.523,5,0.395,0.79,1.0,0.9666660955383456,0.9753015557535467,0.7444914673428826,0.7778682064286204,0.8660818312658489
EOS-2-29654,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)ccn1,DMKHQEBBELHKFQ-UHFFFAOYSA-N,2,1,0.582,11,201,428.883,4.523,5,0.37,0.81,1.0,0.9549893770132273,0.9570197381947776,0.7107634843396614,0.7237509423617299,0.836630885477349
EOS-2-29655,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccnn5)n34)c2)cc1,BBNBUNMRABMCSY-UHFFFAOYSA-N,2,1,0.566,91,660,428.883,4.523,5,0.395,0.77,1.0,0.7662857240764855,0.9027654033308203,0.6602528956205881,0.7450311836063327,0.7685838016585567
EOS-2-29656,Clc1cccc(-c2cccc(-c3nnc4cncc(OCCc5cccnn5)n34)c2)c1,UNNIAJONMXXIQX-UHFFFAOYSA-N,2,1,0.583,91,660,428.883,4.523,5,0.395,0.75,1.0,0.619482900418066,0.8661589335891988,0.6461089027482695,0.7373295181961483,0.7172700637379206
EOS-2-29657,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)ccn1,KNDPKKVBIVPGLM-UHFFFAOYSA-N,2,1,0.603,11,201,428.883,4.523,5,0.37,0.75,1.0,0.9261274073058735,0.8661675005140155,0.6845058597765746,0.7185593859228291,0.7988400383798232
EOS-2-29658,Cc1cccc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,QXEYUSIOEZGOLR-UHFFFAOYSA-N,2,1,0.59,1,709,428.883,4.789,5,0.4,0.76,0.999,0.9444948941128093,0.9519309848536769,0.643024809814269,0.6559351655129875,0.7988464635734356
EOS-2-29659,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)nn1,PRRXVESBKVOHKZ-UHFFFAOYSA-N,2,1,0.718,79,613,428.883,4.523,5,0.395,0.84,1.0,0.9790624357480638,0.9769207045438969,0.6709358508669728,0.702136591049277,0.8322638955520526
EOS-2-29660,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,QZTMPOMACPJIAV-UHFFFAOYSA-N,2,1,0.598,11,529,428.883,4.523,5,0.395,0.84,1.0,0.7690014392433692,0.8446730861489959,0.7107720512644781,0.7580700431773011,0.770629154958536
EOS-2-29661,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,LNNJGPAPBWNBOK-UHFFFAOYSA-N,2,1,0.57,11,201,428.883,4.523,5,0.37,0.75,1.0,0.8861541361113014,0.9134740593516552,0.6628572407648551,0.6965166883695428,0.7897505311493387
EOS-2-29662,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)cn3)n12,CACCFXWXBMSOMC-UHFFFAOYSA-N,2,1,0.646,11,529,428.883,4.523,5,0.395,0.8,1.0,0.7486549928037831,0.8446816530738126,0.7081505722705778,0.7605287505996847,0.7655039921869646
EOS-2-29663,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)cc1,IKZZAZNRYRYNHP-UHFFFAOYSA-N,2,1,0.636,11,801,428.883,4.523,5,0.395,0.83,1.0,0.8527174285518471,0.9551521485847441,0.7368497704064149,0.7682646837091358,0.8282460078130355
EOS-2-29664,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)cn4)n23)cc1,LMVFHBGBGWQSKE-UHFFFAOYSA-N,2,1,0.541,1,347,428.883,4.789,5,0.374,0.8,1.0,0.7572047837708177,0.8041515317661572,0.7239479816325132,0.7132564594613118,0.7496401891577
EOS-2-29665,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)cn4)n23)cc1,BGNDRUJDFJVKEJ-UHFFFAOYSA-N,2,1,0.562,1,744,428.883,4.789,5,0.374,0.79,1.0,0.7394455486258653,0.8157083133438421,0.7921235693235557,0.7682732506339525,0.7788876704818039
EOS-2-29666,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nc1,SFBASBHAVRUYAO-UHFFFAOYSA-N,2,1,0.602,11,201,428.883,4.523,5,0.395,0.8,1.0,0.8057278459324241,0.8543879788910973,0.7215749434582962,0.7426410115824823,0.781082944966075
EOS-2-29667,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,FTZNILYWKQCPML-UHFFFAOYSA-N,2,1,0.731,91,660,428.883,4.523,5,0.395,0.76,1.0,0.9593670755945446,0.9731426906997465,0.7419899252964156,0.7778767733534371,0.8630941162360359
EOS-2-29668,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(C5COC5)c4)n23)cc1,FTOLZOUTUXZIMJ-UHFFFAOYSA-N,2,1,0.359,96,558,428.883,4.547,6,0.42,0.74,1.0,0.16888835583578918,0.35616989925296416,0.6845144267013913,0.8006904941402234,0.502565793982592
EOS-2-29669,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)ccn1,UWCZQKGJEMLFLU-UHFFFAOYSA-N,2,1,0.512,11,198,428.883,4.523,5,0.37,0.84,1.0,0.7306730176135974,0.7488862997738331,0.6681173326022891,0.7237595092865465,0.7178590398190665
EOS-2-29670,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cc1,DRUKQDXXNDFTFU-UHFFFAOYSA-N,2,1,0.636,35,393,428.883,4.523,5,0.395,0.8,1.0,0.794565142896306,0.9114865327941882,0.7794530875197039,0.8093088205057912,0.8237033959289972
EOS-2-29671,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,KMUJRRKPPMNYDA-UHFFFAOYSA-N,2,1,0.582,11,201,428.883,4.523,5,0.37,0.79,1.0,0.9638218764992118,0.9560688095401275,0.6981615379343431,0.7132650263861284,0.8328293125899526
EOS-2-29672,Cc1ccc(-c2nnc3cncc(OCc4cnccc4-c4ccncc4)n23)c(Cl)c1,GXCMYQCQHNHRAY-UHFFFAOYSA-N,2,1,0.538,97,91,428.883,4.789,5,0.4,0.68,1.0,0.7690100061681858,0.8041600986909739,0.8222448769789596,0.8160081557124255,0.8028557843876363
EOS-2-29673,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,LQRMAJUHUKIEMM-UHFFFAOYSA-N,2,1,0.57,11,848,428.883,4.523,5,0.37,0.81,1.0,0.9181944349256391,0.9417363443218423,0.6101792200671647,0.6475053114933863,0.7794038277020081
EOS-2-29674,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)cn1,MZDGLZLLEBCJBS-UHFFFAOYSA-N,2,1,0.64,11,56,428.883,4.523,5,0.37,0.83,1.0,0.8898464807072853,0.9417449112466589,0.6899544239599753,0.7158779384552121,0.8093559385922829
EOS-2-29675,Cc1cccc(OCc2cccnn2)c1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,AMRXYSIEFFMQOQ-UHFFFAOYSA-N,2,1,0.419,96,3,428.883,4.789,5,0.4,0.84,1.0,0.608183126584881,0.697493317798643,0.7265437598519635,0.737338085120965,0.6923895723391131
EOS-2-29676,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)cc2)nn1,FFSFDXUWOVAVOX-UHFFFAOYSA-N,2,1,0.549,43,613,428.883,4.789,5,0.4,0.82,1.0,0.8213967514221096,0.902773970255637,0.7583099170721678,0.7658916455349187,0.8120930710712082
EOS-2-29677,Clc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,CFCVDSNDCXEFNP-UHFFFAOYSA-N,2,1,0.602,11,275,428.883,4.523,5,0.395,0.77,1.0,0.8435593859228291,0.9095589747104379,0.6709444177917895,0.7185679528476459,0.7856576828181756
EOS-2-29678,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)nn1,HSFLJDXBBUVUQU-UHFFFAOYSA-N,2,1,0.587,1,23,428.883,4.789,5,0.4,0.79,1.0,0.7091614693989445,0.8855715852237681,0.7134277979576451,0.7450397505311493,0.7633001507778768
EOS-2-29679,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnc5)nc4)n23)cc1,FOFIJFLLJFMIDT-UHFFFAOYSA-N,2,1,0.707,11,201,428.883,4.523,5,0.395,0.8,1.0,0.9744876978959632,0.985222054691248,0.7159807415530122,0.745048317455966,0.8551847028990474
EOS-2-29680,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(Cl)c5)c4)n23)cc1,PMDRESHDFXAZKP-UHFFFAOYSA-N,2,1,0.524,97,230,428.883,4.789,5,0.374,0.79,1.0,0.9079912274689877,0.8446902199986293,0.802917894592557,0.7778853402782537,0.833371170584607
EOS-2-29681,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)ccn1,ZEKKIEYJOOCFGQ-UHFFFAOYSA-N,2,1,0.595,35,352,428.883,4.523,5,0.37,0.79,1.0,0.9385837159893085,0.9599067918579947,0.7630217257213351,0.7778939072030704,0.8598515351929272
EOS-2-29682,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)nn1,RJUICAMFPFXFDV-UHFFFAOYSA-N,2,1,0.62,43,613,428.883,4.789,5,0.4,0.82,1.0,0.8504643273250634,0.8960917688986362,0.7560482489205674,0.7605373175245014,0.8157854156671922
EOS-2-29683,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)nn1,GGADEVABRDJXQB-UHFFFAOYSA-N,2,1,0.575,1,418,428.883,4.789,5,0.4,0.78,1.0,0.5764512370639435,0.7833253375368378,0.6981701048591598,0.7399509971900486,0.6994744191624974
EOS-2-29684,Cc1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccccc2)n1,IWLPWDDQIHHXPS-UHFFFAOYSA-N,2,1,0.615,1,709,428.883,4.789,5,0.4,0.79,1.0,0.9638304434240285,0.9578678637516277,0.6191316565005826,0.6617606743883215,0.80064765951614
EOS-2-29685,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nc1,IAHNPJGXLUKFNK-UHFFFAOYSA-N,2,1,0.605,11,275,428.883,4.523,5,0.395,0.74,1.0,0.854884860530464,0.8413234185456788,0.6221215132615996,0.6617692413131382,0.7450247584127201
EOS-2-29686,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cc2)cc1,DCFVWSCALNJRNX-UHFFFAOYSA-N,2,1,0.635,91,883,428.883,4.523,5,0.395,0.82,1.0,0.944503461037626,0.9640103488451786,0.6161675005140155,0.6965252552943595,0.8053016414227949
EOS-2-29687,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,BSSUCPOKAIQRJD-UHFFFAOYSA-N,2,1,0.575,11,111,428.883,4.523,5,0.37,0.79,1.0,0.8364659721746281,0.8661760674388321,0.7419984922212323,0.760545884449318,0.8012966040710026
EOS-2-29688,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nn1,QXZXVPYJCVMYPB-UHFFFAOYSA-N,2,1,0.573,12,650,428.883,4.523,5,0.395,0.81,1.0,0.919642245219656,0.9402028647796586,0.5785158659447605,0.6704218353779727,0.777195702830512
EOS-2-29689,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nn1,VQPAFWOHBULMOG-UHFFFAOYSA-N,2,1,0.699,79,824,428.883,4.523,5,0.395,0.84,1.0,0.9344287574532246,0.9455229250908094,0.6544102528956206,0.6939123432252758,0.8070685696662325
EOS-2-29690,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)cc1,NMKHDVDVTFPEHX-UHFFFAOYSA-N,2,1,0.633,91,660,428.883,4.523,5,0.395,0.75,1.0,0.8705880337194161,0.9444092248646426,0.7630302926461517,0.8114591186347748,0.8473716674662464
EOS-2-29691,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)n1,FCRBCDKKYSUSPB-UHFFFAOYSA-N,2,1,0.56,1,22,428.883,4.789,5,0.4,0.77,1.0,0.8592882598862313,0.7788448358577205,0.7538893838667672,0.734656637653348,0.7816697793160168
EOS-2-29692,Cc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,QTUIPYYGHLLGTA-UHFFFAOYSA-N,2,1,0.506,97,666,428.883,4.789,5,0.4,0.8,1.0,0.9033907888424371,0.79985093550819,0.7560568158453841,0.7477468987732163,0.8017613597423068
EOS-2-29693,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)ccc1Cl,FILDMUISPUTXTQ-UHFFFAOYSA-N,2,1,0.561,97,988,428.883,4.789,5,0.4,0.77,1.0,0.8705966006442327,0.9004437667055034,0.8659704612432322,0.8576519772462476,0.873665701459804
EOS-2-29694,Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,XLFDKUSZMJCDGV-UHFFFAOYSA-N,2,1,0.633,43,433,428.883,4.789,5,0.4,0.81,1.0,0.9048471660612707,0.9560773764649442,0.7560653827702009,0.7631330957439517,0.8450307552600919
EOS-2-29695,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,ZLNJOQWHDFZJIB-UHFFFAOYSA-N,2,1,0.711,11,56,428.883,4.523,5,0.395,0.84,1.0,0.8411092454252621,0.9284062093071072,0.657442944280721,0.7021451579740936,0.7822758892467959
EOS-2-29696,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,SPQFNIPVPDBXFH-UHFFFAOYSA-N,2,1,0.473,11,198,428.883,4.523,5,0.395,0.72,1.0,0.6999006236721267,0.7705006510862861,0.594416078404496,0.6646562949763553,0.682368412034816
EOS-2-29697,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)n1,YTORPYCYFHJTIR-UHFFFAOYSA-N,2,1,0.457,11,848,428.883,4.523,5,0.37,0.8,1.0,0.6421424165581523,0.6878383935302583,0.5620845041463917,0.6446011239805359,0.6341666095538345
EOS-2-29698,Clc1cccc(CCOc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)n1,XEXCVDQOOJODMA-UHFFFAOYSA-N,2,1,0.511,11,848,428.883,4.523,5,0.37,0.69,0.995,0.7777568364060037,0.7998595024330066,0.4905763827016654,0.5787900075388939,0.6617456822698924
EOS-2-29699,Cc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccnc(Cl)c4)n23)cc1,XDWHBQLLNNLWDP-UHFFFAOYSA-N,2,1,0.506,97,230,428.883,4.789,5,0.374,0.79,1.0,0.912625933794805,0.8308717702693441,0.7445000342676993,0.7319323555616476,0.8049825234733741
EOS-2-29700,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cc1,OCMWTJGVEZFEHP-UHFFFAOYSA-N,2,1,0.62,35,137,428.883,4.523,5,0.395,0.76,1.0,0.8548934274552806,0.9134826262764718,0.7538979507915838,0.7940168597080393,0.8290727160578439
EOS-2-29701,Clc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)n1,KIGQZKFQPGUQTJ-UHFFFAOYSA-N,2,1,0.533,11,848,428.883,4.523,5,0.37,0.8,1.0,0.8314885888561442,0.8573778356521143,0.5912891508464122,0.6387584812555686,0.7297285141525598
EOS-2-29702,Cc1cnccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,UMHILVHKKILVIL-UHFFFAOYSA-N,2,1,0.6,97,744,428.883,4.789,5,0.4,0.65,1.0,0.8806199026797341,0.9248338016585567,0.7878572407648551,0.7803868823247208,0.8434244568569667
EOS-2-29703,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,CWAFZZSBXRCPKU-UHFFFAOYSA-N,2,1,0.75,91,660,428.883,4.523,5,0.395,0.76,1.0,0.9462682475498595,0.9578764306764443,0.8010074703584401,0.821850798437393,0.8817507367555343
EOS-2-29705,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ccn2)cn1,NPCDTFFSKAILEK-UHFFFAOYSA-N,2,1,0.68,11,525,428.883,4.523,5,0.37,0.79,1.0,0.8916455349187855,0.8961003358234528,0.70071448152971,0.7237680762113632,0.8030571071208279
EOS-2-29706,Clc1cccc(Oc2ccc(-c3nnc4cncc(OCc5ccccc5)n34)cc2)c1,HULAVMRBRAYLKN-UHFFFAOYSA-N,2,1,0.699,79,590,428.879,5.816,5,0.341,0.79,1.0,0.9572853128640944,0.957884997601261,0.9119919813583716,0.9200962922349394,0.9368146460146666
EOS-2-29707,Oc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1,JUJXAPFMHBUZGA-UHFFFAOYSA-N,2,1,0.714,83,23,428.879,5.396,5,0.406,0.82,1.0,0.9767664998971969,0.9842282914125146,0.9355167569049414,0.9408796518401754,0.959347800013707
EOS-2-29708,Clc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)cc1,DICVJLSHBKFRAL-UHFFFAOYSA-N,2,1,0.704,79,590,428.879,5.816,5,0.341,0.85,1.0,0.9842796929614146,0.985453361661298,0.9177318209855391,0.922349393461723,0.9524535672674936
EOS-2-29709,Oc1ccc(COc2cccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1,YMLCRJTXYYNWHP-UHFFFAOYSA-N,2,1,0.433,83,3,428.879,5.396,5,0.406,0.8,1.0,0.5544770749091906,0.8693029949969159,0.9355253238297581,0.9374700157631417,0.8241938523747515
EOS-2-29710,Clc1ccc(-c2nnc3cncc(OCc4cccc(Oc5ccccc5)c4)n23)cc1,QRTWIGLORGRZRI-UHFFFAOYSA-N,2,1,0.676,79,590,428.879,5.816,5,0.341,0.83,1.0,0.9852391885408813,0.9870639435268316,0.9120005482831882,0.9190853951065725,0.9508472688643683
EOS-2-29711,Clc1cccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,FUWSCCZFWXDAOM-UHFFFAOYSA-N,2,1,0.662,17,590,428.879,5.816,5,0.341,0.85,1.0,0.9649441436501953,0.9540384483585772,0.912009115208005,0.9190939620313893,0.9375214173120417
EOS-2-29712,Oc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1,PNPFJUURHOBUQE-UHFFFAOYSA-N,2,1,0.69,83,23,428.879,5.396,5,0.406,0.82,1.0,0.9671886779521623,0.9657494345829621,0.934908505242958,0.9382667397710918,0.9515283393872935
EOS-2-29713,Cc1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4Oc4ccccc4)n23)cc1O,YDXBEJNWNXMSCO-UHFFFAOYSA-N,2,1,0.365,79,480,428.879,5.918,5,0.384,0.84,1.0,0.4931978616955658,0.5111027345624015,0.9110753204029881,0.9078884243711877,0.7058160852580357
EOS-2-29714,Clc1ccccc1COc1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)n12,STARKOZVEHXZDM-UHFFFAOYSA-N,2,1,0.662,17,590,428.879,5.816,5,0.341,0.81,1.0,0.9619628538139949,0.9578935645260778,0.912882941539305,0.9211671578370229,0.9384766294291
EOS-2-29715,N#Cc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,CPDUUUREXWBRFW-UHFFFAOYSA-N,2,1,0.571,43,612,428.843,3.476,5,0.421,0.73,1.0,0.5238845863888698,0.7400109656637653,0.6191402234253992,0.6879326297032418,0.642742101295319
EOS-2-29716,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)cc2C#N)n1,ONJLIJPMASJLTO-UHFFFAOYSA-N,2,1,0.429,72,374,428.843,3.904,5,0.399,0.75,1.0,0.5764598039887602,0.6730090466726064,0.7539065177164005,0.7265009252278802,0.6824690734014118
EOS-2-29717,N#Cc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccccc5Cl)n4)n23)cc1,RIHFQELHQZKURQ-UHFFFAOYSA-N,2,1,0.563,43,250,428.843,3.476,5,0.421,0.73,1.0,0.5881022548146118,0.7664227948735521,0.5620930710712083,0.6504266328558701,0.6417611884038106
EOS-2-29718,N#Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,KYOARVFILSKGLX-UHFFFAOYSA-N,2,1,0.547,4,32,428.843,3.476,5,0.421,0.62,1.0,0.6936639024055925,0.7998680693578233,0.7239565485573298,0.7213093687889796,0.7346994722774314
EOS-2-29719,N#Cc1cc(-c2nnc3cncc(OCc4cn(-c5ccccc5)nn4)n23)ccc1Cl,ABEDPGXLBYLJOM-UHFFFAOYSA-N,2,1,0.706,43,104,428.843,3.476,5,0.421,0.76,1.0,0.37266979644986636,0.6435131245288191,0.62492289767665,0.6853539853334247,0.5816149509971901
EOS-2-29720,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nc2)cn1,DCQSZWBTBIGBEQ-UHFFFAOYSA-N,2,1,0.42,13,412,428.843,3.904,5,0.427,0.82,1.0,0.5968576519772463,0.7121513261599616,0.8111678431910082,0.7682818175587691,0.7221146597217463
EOS-2-29721,Cn1nc(-c2ccc(C#N)cn2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,KMHMVIRYNUHWHT-UHFFFAOYSA-N,2,1,0.488,43,706,428.843,3.904,5,0.427,0.72,1.0,0.6450808717702693,0.8235641834007265,0.6430333767390858,0.6674919470906723,0.6947925947501884
EOS-2-29722,Cn1nc(-c2ccc(C#N)nc2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,RYQBERVIYIORJQ-UHFFFAOYSA-N,2,1,0.481,13,706,428.843,3.904,5,0.427,0.8,1.0,0.6277928174902337,0.7954561030772394,0.6681258995271058,0.667500514015489,0.6897188335275171
EOS-2-29723,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)on4)n23)cc1,VWPVCPNBWHWFNM-UHFFFAOYSA-N,2,1,0.524,1,230,428.839,4.55,5,0.404,0.77,1.0,0.6541189774518539,0.5483345898156398,0.8601106846686314,0.8820505791241177,0.7361537077650606
EOS-2-29724,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc6c(c5)OCO6)n34)cc2)nc1,ZDDKIZKBTOSRCQ-UHFFFAOYSA-N,2,1,0.5,96,856,428.839,4.297,6,0.423,0.82,1.0,0.46354773490507845,0.45338736207251046,0.7392742101295319,0.7265094921526969,0.5956796998149544
EOS-2-29725,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cc(-c4cncs4)on3)n12,BIAZJTQPGHBQOH-UHFFFAOYSA-N,2,1,0.577,4,10,428.836,4.274,5,0.412,0.6,1.0,0.6334041532451511,0.795464670002056,0.6335240901925845,0.6909053526146255,0.6883245665136042
EOS-2-29726,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)s4)n23)c(Cl)c1,FRLFLMUFWZHCTH-UHFFFAOYSA-N,2,1,0.536,73,10,428.836,4.274,5,0.412,0.7,1.0,0.7214464395860462,0.8344870125419779,0.5785244328695771,0.661777808237955,0.699058923308889
EOS-2-29727,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cnsc5)on4)n23)c(Cl)c1,SAIAJJKXUMSVAS-UHFFFAOYSA-N,2,1,0.577,4,10,428.836,4.274,5,0.412,0.66,1.0,0.5821054074429443,0.7166917963127956,0.6738400383798232,0.7319409224864643,0.6761445411555068
EOS-2-29728,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cc(-c4cncs4)no3)n12,ZGUWGFQEVAWMPX-UHFFFAOYSA-N,2,1,0.536,97,89,428.836,4.274,5,0.412,0.68,1.0,0.7862552258241382,0.8693115619217325,0.6335326571174011,0.6939209101500925,0.7457550887533411
EOS-2-29729,N#Cc1cccc(-c2nnc3cncc(-c4cc(Cl)nc(-c5cncc(F)c5)n4)n23)c1,BJDKEESBSSMRHN-UHFFFAOYSA-N,2,1,0.369,96,155,428.818,3.974,5,0.4,0.71,1.0,0.3158453841409088,0.4533959289973271,0.767844904393119,0.8378623809197451,0.593737149612775
EOS-2-29730,Cn1nc(-c2nnn(C(F)F)n2)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,IBWVXRGANHQSNY-UHFFFAOYSA-N,2,1,0.405,22,542,428.794,2.894,5,0.433,0.66,0.997,0.2161777808237955,0.4445891302857926,0.20761085600712767,0.3356863820163114,0.30101603728325677
EOS-2-29731,Cc1c(-c2cc(-c3nnc4cncc(-c5ccnc(Cl)c5)n34)no2)cnn1C(F)F,JGOQCLXEBNSXKD-UHFFFAOYSA-N,2,1,0.264,50,243,428.79,4.062,5,0.398,0.61,0.91,0.13623980535946817,0.19572853128640944,0.6161760674388321,0.6269532588582003,0.3937744157357275
EOS-2-29732,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)cc1F,USUMSHAJPFDUJV-UHFFFAOYSA-N,2,1,0.36,22,990,428.765,3.505,5,0.437,0.75,1.0,0.17704406826125693,0.5205606195600028,0.8240953327393599,0.9134055239531218,0.6087763861284353
EOS-2-29733,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c(F)c1F,BBYBSDDAOCSMQB-UHFFFAOYSA-N,2,1,0.411,22,990,428.765,3.505,5,0.409,0.77,1.0,0.22171201425536288,0.5869799876636282,0.7746384757727366,0.8916798026180522,0.618752570077445
EOS-2-29734,Fc1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cc5F)o4)n23)cc1F,XJUXLTOVJIEDJT-UHFFFAOYSA-N,2,1,0.394,45,730,428.761,4.579,5,0.418,0.77,1.0,0.46606641080117883,0.8041686656157906,0.9225207319580563,0.9588530601055445,0.7879022171201425
EOS-2-29735,Fc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5ccc(Br)c(F)c5)n34)cn2)c1,BMPKIDCQRAZMSQ-UHFFFAOYSA-N,2,1,0.371,45,102,471.24,4.824,5,0.379,0.81,1.0,0.06987183880474265,0.42229799191282297,0.9669059694332123,0.9762096497841135,0.6088213624837229
EOS-2-29736,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ncn2)cc1F,NTQDBMSOAJTRAR-UHFFFAOYSA-N,2,1,0.402,13,236,471.254,5.626,5,0.338,0.77,1.0,0.7662942910013022,0.854396545815914,0.9655780960866287,0.9801847028990474,0.891613408950723
EOS-2-29737,Fc1cnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Oc2cc(F)c(Cl)cn2)c1,XLYLINSYEGYMHK-UHFFFAOYSA-N,2,1,0.407,45,102,471.254,5.626,5,0.338,0.71,1.0,0.7719570283051196,0.9134911932012885,0.9442721540675759,0.9663576862449456,0.8990195154547324
EOS-2-29738,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ncn4)n23)c(Cl)c1,QNZFBWCLJVBWCW-UHFFFAOYSA-N,2,1,0.396,13,236,471.254,5.626,5,0.338,0.72,1.0,0.7363785895414982,0.8157168802686587,0.9651754506202453,0.9799019943800973,0.8742932287026249
EOS-2-29739,Fc1ccc(Oc2cc(F)c(Cl)cn2)c(-c2cncc3nnc(-c4ccc(Cl)nc4)n23)c1,XQWXDXXQGZOPAN-UHFFFAOYSA-N,2,1,0.327,45,575,471.254,5.626,5,0.317,0.71,0.998,0.6334127201699677,0.8378623809197451,0.9629394832430951,0.9741707216777465,0.8520963265026386
EOS-2-29740,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4F)ncn3)n12,BAPWINKNSVEPIZ-UHFFFAOYSA-N,2,1,0.409,13,971,471.254,5.626,5,0.338,0.75,1.0,0.797426495785073,0.8378709478445617,0.959769721060928,0.9778287985744637,0.8932239908162566
EOS-2-29741,Fc1ccc(Oc2nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cnc2Cl)cc1F,PLKHJZOTAIGGOF-UHFFFAOYSA-N,2,1,0.477,45,102,471.254,5.626,5,0.338,0.78,1.0,0.7889195394421219,0.9444177917894593,0.9389692276060585,0.9637619080254952,0.9090171167157837
EOS-2-29742,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nn4)n23)cc1Cl,BPPZWPMEPVYYIP-UHFFFAOYSA-N,2,1,0.544,45,573,471.254,5.626,5,0.338,0.73,1.0,0.85047289424988,0.8802429579878007,0.9618086491672949,0.980193269823864,0.91817944280721
EOS-2-29743,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cnc(F)c(Cl)c4)cn3)n12,RXXKXRYRVBHUIS-UHFFFAOYSA-N,2,1,0.4,13,145,471.254,5.626,5,0.317,0.75,1.0,0.742623877732849,0.8378795147693784,0.9637876087999452,0.9748903433623467,0.8797953361661298
EOS-2-29744,Fc1ccc(Cl)c(Oc2cncc3nnc(-c4ncc(-c5ccc(Cl)c(F)c5)cn4)n23)c1,BIROZTBTMJVOBI-UHFFFAOYSA-N,2,1,0.43,13,236,471.254,5.626,5,0.338,0.81,1.0,0.7182938112535124,0.7664313617983689,0.9541498183811938,0.9748989102871634,0.8534434754300597
EOS-2-29745,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5cnc(Cl)c(F)c5)n34)cn2)cc1Cl,XBECQWPZKDHRBG-UHFFFAOYSA-N,2,1,0.455,13,573,471.254,5.626,5,0.317,0.81,1.0,0.8844407511479679,0.9173120416695223,0.9675656226440956,0.9774518538825303,0.9366925673360291
EOS-2-29746,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)cc1Cl,DSJZHWGBHQYMRU-UHFFFAOYSA-N,2,1,0.396,13,236,471.254,5.626,5,0.338,0.7,1.0,0.7426324446576656,0.8157254471934754,0.965184017545062,0.9795850181618806,0.8757817318895209
EOS-2-29747,OCc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nn2)no1,QREPZDQWYQGKOC-UHFFFAOYSA-N,2,1,0.5,4,29,471.264,3.009,5,0.393,0.71,1.0,0.5467668425741896,0.6975018847234596,0.2322493317798643,0.3743917483380166,0.46272745185388253
EOS-2-29748,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1noc(Cl)n1,MHRFFICRKQOUOO-UHFFFAOYSA-N,2,1,0.478,7,94,471.264,3.526,5,0.363,0.67,1.0,0.669796449866356,0.6105647316839148,0.3305633609759441,0.31963196490987594,0.4826391268590227
EOS-2-29749,Fc1c(-c2ncco2)ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1Cl,YJTJFCOXDIIFIR-UHFFFAOYSA-N,2,1,0.547,11,595,471.279,4.909,5,0.325,0.62,1.0,0.8916541018436023,0.8607446371050648,0.8510554451374135,0.8707422383661161,0.8685491056130492
EOS-2-29750,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c(Cl)c2)n1,DICFIRDXTVNMES-UHFFFAOYSA-N,2,1,0.429,73,379,471.283,4.007,5,0.358,0.68,1.0,0.5793040230278939,0.7027448427112604,0.6249314646014666,0.6824155301213076,0.6473489651154821
EOS-2-29751,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)cc1Cl,ULDZKGOWHCWWDM-UHFFFAOYSA-N,2,1,0.524,73,980,471.283,4.007,5,0.382,0.68,1.0,0.6726492358303063,0.702753409636077,0.7159893084778288,0.784687478582688,0.7190198581317251
EOS-2-29752,Cn1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1cnc(F)c(Cl)c1,GBAVCANPIBGXBL-UHFFFAOYSA-N,2,1,0.409,95,694,471.283,4.007,5,0.358,0.72,0.989,0.42896305942019053,0.46230553080666165,0.7134363648824618,0.7605544513741347,0.5913148516208622
EOS-2-29753,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1-c1cnc(Cl)nc1,AIVSPORBJHLZAD-UHFFFAOYSA-N,2,1,0.58,95,998,471.283,4.007,5,0.358,0.75,0.993,0.5683983277362757,0.5342505654170379,0.7344424645329313,0.777902474127887,0.653748457953533
EOS-2-29754,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)ccc1F,DGNLQLVYSXIOEX-UHFFFAOYSA-N,2,1,0.575,34,146,471.283,4.007,5,0.382,0.74,1.0,0.7690185730930026,0.9114950997190049,0.695454389692276,0.8138150229593585,0.7974457713659104
EOS-2-29755,Fc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)ccc1-c1nn[nH]n1,GMUDBSJISYDIHM-UHFFFAOYSA-N,2,1,0.57,88,6,471.283,4.039,5,0.398,0.77,1.0,0.9445120279624426,0.9588273593310945,0.7964584332807896,0.8691659241998492,0.892240936193544
EOS-2-29756,COc1c(F)cc(Cl)cc1Cn1nnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,FVASSNOXSOFRBK-UHFFFAOYSA-N,2,1,0.368,22,221,471.283,3.948,5,0.383,0.67,1.0,0.4195651428963059,0.6200654513055993,0.515163456925502,0.6853625522582414,0.5600391508464122
EOS-2-29757,COc1cc(-c2nnnn2C)c(F)cc1-c1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,VSTUIPAEAOJNMZ-UHFFFAOYSA-N,2,1,0.407,22,252,471.283,4.103,5,0.389,0.71,1.0,0.37039956137344937,0.5963179357137962,0.6820128846549243,0.7779110410527037,0.6066603556987185
EOS-2-29758,COc1cc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)n4C)n23)c(F)cc1Cl,VWUIORZMFGATTR-UHFFFAOYSA-N,2,1,0.337,22,311,471.283,4.103,5,0.364,0.63,0.925,0.2598690973888013,0.5296586937153039,0.5588633404153245,0.6763501473511069,0.5061853197176341
EOS-2-29759,Cn1ncc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1-c1ccc(Cl)c(F)c1,FAKSIIATXQNHCZ-UHFFFAOYSA-N,2,1,0.482,73,196,471.283,4.007,5,0.382,0.72,1.0,0.5264632307586868,0.5433914741964224,0.6010383112877802,0.7046638338701939,0.5938892125282709
EOS-2-29760,Cn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(Cl)c(Cl)c3)n12,IYVBTPJMQWYMEB-UHFFFAOYSA-N,2,1,0.506,73,391,471.283,4.007,5,0.382,0.74,1.0,0.6936724693304092,0.8693201288465492,0.43797546432732504,0.6154907134534987,0.6541146939894456
EOS-2-29761,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c(F)c1,MBYSQSSRDROSHH-UHFFFAOYSA-N,2,1,0.542,34,402,471.283,4.007,5,0.382,0.74,1.0,0.739454115550682,0.9134997601261051,0.7188335275169625,0.8257316153793435,0.7993797546432733
EOS-2-29762,Cn1nc(-c2cncc(Cl)c2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,IBCOTEPXXNAQKM-UHFFFAOYSA-N,2,1,0.5,73,446,471.283,4.007,5,0.382,0.71,0.999,0.5684068946610924,0.7875145637721883,0.44867555342334314,0.6298060448221506,0.6086007641696936
EOS-2-29763,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1Cl,CENQQEPZUAMLTC-UHFFFAOYSA-N,2,1,0.518,16,772,471.283,4.007,5,0.358,0.67,1.0,0.7862637927489549,0.7745870742238367,0.7368583373312316,0.787009115208005,0.771179579878007
EOS-2-29764,Fc1c(-c2cc[nH]n2)ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1Cl,NRHJMGKXLCKYQA-UHFFFAOYSA-N,2,1,0.442,20,279,471.283,4.039,5,0.398,0.54,1.0,0.7515934480159002,0.8235727503255431,0.6654615859091221,0.7528013844150504,0.7483572921664039
EOS-2-29765,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4cc(F)c(Cl)cc4Cl)n23)c1,FVAWJZYUDXZIJG-UHFFFAOYSA-N,2,1,0.494,2,422,471.283,4.007,5,0.358,0.65,0.999,0.4858988417517648,0.5818141319991775,0.827702008087177,0.8576605441710644,0.6882688815022959
EOS-2-29766,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3c(Cl)cccc3Cl)n12,HFUNBRQCDQVITM-UHFFFAOYSA-N,2,1,0.46,73,877,471.283,4.007,5,0.382,0.63,0.999,0.5132187649921184,0.620074018230416,0.4803646083201974,0.6212990884791995,0.5587391200054828
EOS-2-29767,Cn1cc(Cl)c(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cc2F)n1,UDEVGCXVHJQRRX-UHFFFAOYSA-N,2,1,0.517,4,610,471.283,4.007,5,0.358,0.74,1.0,0.5764683709135768,0.6926615722020424,0.7007230484545267,0.7450568843807827,0.6787274689877322
EOS-2-29768,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1cnc(Cl)c(F)c1,IYNJMTDOTVMHPV-UHFFFAOYSA-N,2,1,0.404,95,694,471.283,4.007,5,0.358,0.65,0.853,0.4588187924062778,0.45769652525529436,0.7007316153793435,0.7631416626687684,0.595097148927421
EOS-2-29769,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1ccc(Cl)c(F)c1,UPRUJLPCAZMGQY-UHFFFAOYSA-N,2,1,0.43,95,965,471.283,4.007,5,0.382,0.66,0.999,0.43552532382975806,0.5526951545473237,0.6367538208484682,0.7319494894112809,0.5892309471592078
EOS-2-29770,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c(Cl)n1,MHZLTXIBWLKXBH-UHFFFAOYSA-N,2,1,0.462,55,223,471.283,4.007,5,0.358,0.59,0.999,0.6819100815571243,0.6291378246864505,0.7107806181892947,0.7346652045781646,0.6891234322527585
EOS-2-29771,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1cnc(F)c(Cl)c1,CAZLQCMYZFZSOO-UHFFFAOYSA-N,2,1,0.404,95,694,471.283,4.007,5,0.358,0.69,0.853,0.4521280241244603,0.44459769721060927,0.7032931258995271,0.7631502295935851,0.5907922692070454
EOS-2-29772,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(Cl)c4)n23)nc1F,OVDXJTYYKDKHJH-UHFFFAOYSA-N,2,1,0.411,46,223,471.283,4.007,5,0.358,0.63,0.979,0.6570488657391542,0.5765197724624769,0.7317353162908642,0.7528099513398671,0.6795284764580906
EOS-2-29773,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4F)n23)cc1Cl,BDSNZMDBTRWNKI-UHFFFAOYSA-N,2,1,0.5,16,79,471.283,4.007,5,0.358,0.6,0.692,0.5821139743677609,0.6583510383112878,0.7921321362483723,0.8276848742375437,0.7150705057912412
EOS-2-29774,Cc1nc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)[nH]c1F,RZMUAHNVOSCLOZ-UHFFFAOYSA-N,2,1,0.483,73,980,471.283,4.305,5,0.407,0.57,1.0,0.7690271400178192,0.730501679117264,0.6709529847166061,0.7265180590775135,0.7242499657323007
EOS-2-29775,N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCc5nc(Cl)ccc5Cl)n34)c2)s1,GHCOMXRWIUVYDE-UHFFFAOYSA-N,2,1,0.438,43,31,471.333,4.003,5,0.374,0.65,1.0,0.5132273319169351,0.5387482009457885,0.43798403125214175,0.5165084641217189,0.501617007059146
EOS-2-29776,Clc1nc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c(Cl)s1,GMMPVYLNAWAQMK-UHFFFAOYSA-N,2,1,0.489,75,420,471.333,4.028,5,0.366,0.52,1.0,0.6907768487423754,0.6538705366321705,0.14552635186073606,0.24988862997738331,0.43501559180316635
EOS-2-29777,Clc1cnc(-c2ccc(-c3nnc4cncc(OCCc5scnc5Cl)n34)cn2)nc1,CHZCHILUHQLPCT-UHFFFAOYSA-N,2,1,0.539,65,263,471.333,4.028,5,0.366,0.66,1.0,0.7542920293331505,0.8512781851826469,0.19350969775889246,0.3196405318346926,0.5296801110273456
EOS-2-29778,Clc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)cn1,HIJCPCKTKWPUEC-UHFFFAOYSA-N,2,1,0.412,31,194,471.333,4.028,5,0.342,0.64,0.892,0.6759046672606401,0.6387413474059351,0.36423137550544854,0.4436981701048592,0.5306438900692207
EOS-2-29779,Clc1ccc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)cc1-c1ccncn1,ZIINBTXQGBQDKV-UHFFFAOYSA-N,2,1,0.506,37,125,471.333,4.028,5,0.366,0.68,1.0,0.660458501816188,0.7576159961620177,0.2538122815434172,0.44370673702967584,0.5288983791378247
EOS-2-29780,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnsn5)nc4Cl)n23)c1,DKMFWWNCSWEWDQ-UHFFFAOYSA-N,2,1,0.495,58,24,471.333,4.028,5,0.342,0.49,0.998,0.6907854156671921,0.7705092180111027,0.31590535261462543,0.4627167431978617,0.5599791823726955
EOS-2-29781,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)nc(Cl)n1,BZCGJMUOIAMBMH-UHFFFAOYSA-N,2,1,0.484,87,307,471.333,4.028,5,0.27,0.65,1.0,0.6879411966280584,0.815734014118292,0.2939054896854225,0.37440031526283324,0.5429952539236516
EOS-2-29782,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)cc2Cl)s1,LEFPZEWULORSNS-UHFFFAOYSA-N,2,1,0.517,4,554,471.333,4.294,5,0.35,0.72,1.0,0.5417209238571722,0.7305102460420807,0.3121616064697416,0.3963744774175862,0.4951918134466452
EOS-2-29783,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)c(Cl)n4)n23)nn1,FJYURYWNJVXLRH-UHFFFAOYSA-N,2,1,0.432,58,237,471.333,4.028,5,0.342,0.62,0.961,0.6110787471729148,0.6632256185319718,0.190091494757042,0.3136094167637585,0.4445013193064218
EOS-2-29784,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)c2)cn1,BQFFOHQZTOLGKA-UHFFFAOYSA-N,2,1,0.4,18,367,471.333,4.028,5,0.342,0.77,1.0,0.41495613734493864,0.5071533822219176,0.20399561373449387,0.38704509629223494,0.37828755739839626
EOS-2-29785,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)ncn2)cn1,JPCWMWKCDANPFX-UHFFFAOYSA-N,2,1,0.404,18,194,471.333,4.028,5,0.342,0.64,0.978,0.5442653005277226,0.5916917963127956,0.27929031594818726,0.4121804537043383,0.4568569666232609
EOS-2-29786,Cc1ccc(-c2ncnnc2-c2nnc3cncc(OCc4cnc(Cl)s4)n23)cc1Cl,WOVUJOXGEXXJFI-UHFFFAOYSA-N,2,1,0.43,46,223,471.333,4.294,5,0.374,0.65,0.986,0.4982437804125831,0.45340449592214377,0.34147762319237884,0.47504454800904666,0.4420426118840381
EOS-2-29787,Fc1cc(-c2nnc3cncc(OCCc4cncc(C(F)(F)F)c4)n23)ccc1C(F)(F)F,HLIPBKCICHBHRL-UHFFFAOYSA-N,2,1,0.608,68,240,471.336,4.985,4,0.384,0.71,1.0,0.957293879788911,0.9588359262559112,0.99976869302995,0.9990319374957165,0.9787326091426222
EOS-2-29788,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)c(Cl)c4)n23)cc1Cl,NPKRGKDLVAUTOO-UHFFFAOYSA-N,2,1,0.754,59,13,471.344,6.545,5,0.292,0.78,1.0,0.9812041669522308,0.9570283051195942,0.9791823726954972,0.987877801384415,0.9763231615379343
EOS-2-29789,Fc1cc(-c2nnc3cncc(OCc4ccsc4)n23)ccc1-c1ccc(Cl)cc1Cl,CXRMSAVHGKGSIT-UHFFFAOYSA-N,2,1,0.592,57,146,471.344,6.545,5,0.292,0.79,1.0,0.9619714207388116,0.9540470152833939,0.9746504694674799,0.9842025906380646,0.9687178740319374
EOS-2-29790,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)nn2)nc1,UUMYENVLICMKBH-UHFFFAOYSA-N,2,1,0.452,13,706,471.349,4.733,5,0.35,0.76,1.0,0.930111027345624,0.9345658282502913,0.9841597560139812,0.9658950723048455,0.9536829209786855
EOS-2-29791,COc1nc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)ccc1-c1ncon1,YQDYDSCUZHSMRE-UHFFFAOYSA-N,2,1,0.408,7,896,471.359,2.633,5,0.361,0.6,0.999,0.5291189774518539,0.4708210540744294,0.3831642793502844,0.17816633541224042,0.39031766157220205
EOS-2-29792,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c(Cl)c1,WZHUPHPQVLZGQG-UHFFFAOYSA-N,2,1,0.467,26,448,471.373,5.622,5,0.321,0.75,1.0,0.5738468919196765,0.6387499143307518,0.7317438832156808,0.7707576588307861,0.6787745870742238
EOS-2-29793,Cn1ncc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1-c1ccc(Cl)cc1,NBGQOLRNOMXYFB-UHFFFAOYSA-N,2,1,0.529,37,639,471.373,5.182,5,0.341,0.73,1.0,0.5881108217394284,0.6730176135974231,0.5816513604276609,0.7132735933109451,0.6390133472688644
EOS-2-29794,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)sc5Cl)n34)c2)c1,FIXPRRUVXZGMNJ-UHFFFAOYSA-N,2,1,0.537,15,438,471.373,5.182,5,0.341,0.71,1.0,0.6999091905969433,0.6878469604550751,0.689962990884792,0.7290624357480638,0.7016953944212185
EOS-2-29795,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1ccc(Cl)cc1,AGYVPZFHZUAAQV-UHFFFAOYSA-N,2,1,0.477,95,266,471.373,5.182,5,0.341,0.73,1.0,0.5684154615859092,0.5917003632376122,0.5756202453567267,0.7021537248989103,0.6094724487697896
EOS-2-29796,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1Cl,WPCKNXJQUHNGLI-UHFFFAOYSA-N,2,1,0.511,26,563,471.373,5.182,5,0.341,0.74,1.0,0.8456411486532794,0.7705177849359194,0.7265523267767802,0.7779196079775204,0.7801577170858749
EOS-2-29797,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)nc1-n1cccn1,GSRJIJAEIUPIRZ-UHFFFAOYSA-N,2,1,0.563,27,996,471.374,3.989,5,0.346,0.71,1.0,0.5467754094990063,0.7532639983551505,0.9367246933040916,0.8778099513398671,0.7786435131245287
EOS-2-29798,Fc1ccc(-n2cnnc2COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,IEZCWIGKEIWBPN-UHFFFAOYSA-N,2,1,0.552,34,431,471.374,3.989,5,0.346,0.78,1.0,0.8214053183469262,0.837888081694195,0.9515454732369268,0.9223579603865396,0.883299208416147
EOS-2-29799,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)cc1F,UJQXVPKDRWLEIO-UHFFFAOYSA-N,2,1,0.815,34,996,471.374,3.831,5,0.333,0.71,1.0,0.35656397779453086,0.787523130697005,0.929468507984374,0.9146991296004386,0.7470636865190871
EOS-2-29800,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccn(C(F)F)n5)cn4)n23)cn1,NGTCUHAJGOQBPD-UHFFFAOYSA-N,2,1,0.452,27,69,471.378,3.752,5,0.33,0.6,1.0,0.5157203070385854,0.5576211363169077,0.7941967651291892,0.6617863751627716,0.6323311459118635
EOS-2-29801,Cn1nc(-c2ncccn2)nc1COc1cncc2nnc(-c3ccc(C(F)(F)F)c(F)c3)n12,YSGRKCHASLSICT-UHFFFAOYSA-N,2,1,0.461,27,51,471.378,3.114,5,0.36,0.68,0.947,0.5881193886642451,0.7211551641422795,0.6654701528339387,0.5819940374203276,0.6391846857651977
EOS-2-29802,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nncn5CC(F)(F)F)cc4)n23)nc1,CIJVSXDXJAZZMF-UHFFFAOYSA-N,2,1,0.465,36,734,471.378,3.12,5,0.348,0.69,1.0,0.802994996915907,0.6682030018504558,0.7188420944417792,0.6240405044205332,0.7035201494071688
EOS-2-29803,Cc1ncc(-c2cc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)n(C)n2)nn1,BXUACXSOJFIZOF-UHFFFAOYSA-N,2,1,0.414,36,706,471.378,3.635,5,0.366,0.62,1.0,0.5711397436776094,0.6583596052361045,0.8631262422040984,0.7346737715029813,0.7068248406551985
EOS-2-29804,CC(F)(F)n1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccncc4F)n23)cc1F,RIYZTAFADDBQJY-UHFFFAOYSA-N,2,1,0.495,36,728,471.378,3.266,5,0.347,0.64,1.0,0.6450894386950861,0.7257898704680967,0.7838993214995545,0.7021622918237269,0.7142352306216161
EOS-2-29805,Fc1cncc(COc2cncc3nnc(-c4cc(-c5cnn(CC(F)F)c5)cnn4)n23)c1F,FRLMPJOVTBJSRL-UHFFFAOYSA-N,2,1,0.364,92,182,471.378,2.962,5,0.334,0.62,1.0,0.4610718936330615,0.36077890480433145,0.7861438558015215,0.7450654513055993,0.5882650263861284
EOS-2-29806,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)n1,CXGMDHAGKBCECO-UHFFFAOYSA-N,2,1,0.462,36,51,471.378,3.114,5,0.36,0.7,1.0,0.6936810362552258,0.7488948666986499,0.8168391474196423,0.7105664450688781,0.742495373860599
EOS-2-29807,Fc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)nc2)cnc1F,DYUQSDIOWHEMGE-UHFFFAOYSA-N,2,1,0.351,6,870,471.387,3.764,6,0.343,0.7,0.976,0.7091700363237612,0.5765283393872935,0.5912977177712289,0.5498166678089234,0.6067031903228017
EOS-2-29808,Fc1cc(-c2nnc3cncc(-c4nnc(-c5ccccc5F)o4)n23)c(F)cc1-c1ccncc1,HPBUBAWSHBNKRQ-UHFFFAOYSA-N,2,1,0.377,3,192,471.402,4.988,6,0.358,0.69,1.0,0.26257624563086834,0.5111113014872182,0.8556044822150641,0.8916883695428689,0.6302450997190049
EOS-2-29809,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5noc(-c6ccc(F)c(F)c6)n5)n34)cc2)nc1,USTQNUFRPBTKHQ-UHFFFAOYSA-N,2,1,0.329,3,192,471.402,4.988,6,0.358,0.85,1.0,0.36593619354396545,0.4931635939962991,0.8493506270988965,0.8792234939346172,0.6469184771434446
EOS-2-29810,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5cc6cnccc6nn5)c4)n23)c(F)c1,ATKLVRVPWSGRLT-UHFFFAOYSA-N,2,1,0.427,13,145,471.402,5.006,6,0.357,0.72,1.0,0.8435679528476459,0.9052669453772874,0.9286974847508739,0.934882804468508,0.9031037968610787
EOS-2-29811,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)n(C)n1,JWLUUYOSTICUSU-UHFFFAOYSA-N,2,1,0.489,36,292,471.403,3.336,5,0.356,0.56,0.997,0.5417294907819888,0.7167003632376122,0.46640052086902883,0.43119902679734085,0.5390073504214926
EOS-2-29812,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)c(F)c6)n5)n34)cc2)nc1,SVRDCSHDWDNHBV-UHFFFAOYSA-N,2,1,0.31,3,158,471.406,3.913,6,0.384,0.77,1.0,0.11128435336851483,0.3704680967719827,0.7033016928243437,0.789459255705572,0.49362834966760333
EOS-2-29813,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1,LJYZWOWASKVZDW-UHFFFAOYSA-N,2,1,0.314,10,118,471.406,3.913,6,0.384,0.66,0.606,0.10391679802618052,0.3223476800767596,0.7265608937015968,0.8070557192790077,0.4899702727708861
EOS-2-29814,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)n2)cc1F,CFYGOSQJHMUKQL-UHFFFAOYSA-N,2,1,0.31,3,158,471.406,3.913,6,0.384,0.62,1.0,0.062478582687958334,0.34128915084641215,0.6845229936262079,0.7824600781303543,0.4676877013227332
EOS-2-29815,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)nc6)nn5)n34)cc2F)cn1,NYPFYVVSLOESJN-UHFFFAOYSA-N,2,1,0.333,10,620,471.406,3.913,6,0.36,0.69,1.0,0.022590980741553014,0.26058015214858476,0.8313943526831609,0.8542080734699472,0.4921933897608115
EOS-2-29816,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cc(F)cc(F)c5)nn4)n23)c1,YQFALOAKPMQDMN-UHFFFAOYSA-N,2,1,0.307,39,144,471.406,3.913,6,0.384,0.72,0.749,0.02361901171955315,0.1391011582482352,0.6574515112055377,0.777928174902337,0.3995249640189158
EOS-2-29817,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6F)nn5)n34)cn2)ccn1,YXDFXFDMILNAGG-UHFFFAOYSA-N,2,1,0.277,10,705,471.406,3.913,6,0.36,0.67,0.993,0.0457473785210061,0.2605887190734014,0.790076074292372,0.8257401823041601,0.4805380885477349
EOS-2-29818,Fc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc(F)c1F,POKBRIJBDVTNGK-UHFFFAOYSA-N,2,1,0.282,3,158,471.406,3.913,6,0.36,0.69,0.907,0.050339250222740044,0.24069631964909877,0.6544188198204373,0.7605630182989515,0.4265043519978069
EOS-2-29819,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)n6)nn5)n34)cc2F)nc1,HFWOQVCWYOAMOL-UHFFFAOYSA-N,2,1,0.337,10,783,471.406,3.913,6,0.36,0.65,1.0,0.057141388527174285,0.2763689945857035,0.7239651154821465,0.7846960455075046,0.4605428860256322
EOS-2-29820,COc1cc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4F)n23)ccc1-c1cnoc1,FGENAOHFQHAABA-UHFFFAOYSA-N,2,1,0.435,41,722,471.408,4.436,6,0.344,0.63,1.0,0.7777654033308203,0.6010126105133301,0.7188506613665958,0.5942875745322459,0.672979062435748
EOS-2-29821,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6nnco6)cc5F)n34)cc2)n1,LHHBAKYIVVAEQQ-UHFFFAOYSA-N,2,1,0.457,40,117,471.412,3.313,6,0.353,0.72,1.0,0.642150983482969,0.5071619491467343,0.2464875608251662,0.20630868343499417,0.4005272942224659
EOS-2-29822,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nnc(CF)o4)nc3)n12,BXFSSODDCUTYSZ-UHFFFAOYSA-N,2,1,0.304,98,727,471.412,3.431,6,0.352,0.71,0.73,0.4219210472208896,0.3268795833047769,0.17709546981015695,0.14384723459666918,0.2674358337331232
EOS-2-29823,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cncc(F)c6)no5)n34)cc2)no1,KPYGPIVWLWEXNU-UHFFFAOYSA-N,2,1,0.488,56,8,471.412,3.313,6,0.353,0.69,1.0,0.6541275443766705,0.6010211774381468,0.14856761017065315,0.14657151668836954,0.38757196216846
EOS-2-29824,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccon5)n34)cn2)cc1-c1nnco1,ORRTWAUQZCMYQB-UHFFFAOYSA-N,2,1,0.526,6,307,471.412,3.047,6,0.317,0.68,0.924,0.6450980056199027,0.5869885545884449,0.2429237201014324,0.22658659447604687,0.4253992186964567
EOS-2-29825,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)c(F)c5)n34)cn2)no1,UWFYFXDXLCNASW-UHFFFAOYSA-N,2,1,0.5,16,6,471.416,2.443,6,0.38,0.67,1.0,0.6848913713933247,0.5963265026386129,0.16427078335960524,0.1567233225961209,0.40055299499691593
EOS-2-29826,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nnco6)n5)n34)cc2F)n1,CEKAPCMCFQENSO-UHFFFAOYSA-N,2,1,0.438,71,614,471.416,2.145,6,0.352,0.58,1.0,0.5057655404016175,0.43129326297032416,0.15465012679048729,0.14385580152148586,0.3088911829209787
EOS-2-29827,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5nnco5)n4)n23)cc1,VKYDONCYXKTSKT-UHFFFAOYSA-N,2,1,0.44,71,428,471.416,2.145,6,0.352,0.65,1.0,0.672657802755123,0.4534130628469605,0.06788431224727572,0.0730501679117264,0.31675133644027137
EOS-2-29828,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)cn1,RSTRRVDIBHVSQT-UHFFFAOYSA-N,2,1,0.442,71,502,471.416,2.145,6,0.352,0.75,1.0,0.5940305667877459,0.46653759166609554,0.16121239120005482,0.16999348913713933,0.34794350969775895
EOS-2-29829,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6nnco6)cc5F)n34)cc2)n1,CQFPEFJXRCYUDK-UHFFFAOYSA-N,2,1,0.467,71,614,471.416,2.145,6,0.352,0.63,1.0,0.5209632650263861,0.37541121239120007,0.1333527516962511,0.12610513330135015,0.28895809060379685
EOS-2-29830,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(F)nn5)n4)n23)cc1,OYRKYBIVUQSJEQ-UHFFFAOYSA-N,2,1,0.446,67,428,471.416,2.145,6,0.352,0.57,1.0,0.5597800013707079,0.457705092180111,0.062007401823041604,0.0692721540675759,0.2871911623603591
EOS-2-29831,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnco5)cn4)n23)c(F)c1,YDJMRNKTQDCHLD-UHFFFAOYSA-N,2,1,0.462,56,815,471.416,2.145,6,0.352,0.66,1.0,0.5032554314303338,0.5024672743472003,0.13971797683503528,0.14386436844630252,0.322326262764718
EOS-2-29832,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)nn5)n34)cc2F)n1,AHJKEEJTMHXQDK-UHFFFAOYSA-N,2,1,0.489,71,826,471.416,2.145,6,0.352,0.59,1.0,0.5313977794530875,0.4751302172572133,0.11059043245836475,0.12173600164484956,0.3097136077033788
EOS-2-29833,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5conn5)n4)n23)cc1F,GVYNCOASHCVEOF-UHFFFAOYSA-N,2,1,0.433,71,614,471.416,2.145,6,0.352,0.58,0.986,0.412651634569255,0.4084195737098211,0.19351826468370914,0.19727057775340964,0.30296501267904874
EOS-2-29834,COc1nc(-c2nn[nH]n2)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3F)n12,NPZRCTJLXCGNHC-UHFFFAOYSA-N,2,1,0.333,98,866,471.42,1.372,6,0.386,0.62,0.95,0.3405095606880954,0.4223065588376396,0.0505105887190734,0.056550270714824206,0.21746924473990817
EOS-2-29835,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnn(-c6ncccn6)n5)n34)nc2F)n1,YNIALNLSDMYUCY-UHFFFAOYSA-N,2,1,0.324,53,502,471.42,1.071,6,0.321,0.57,1.0,0.15003255431430335,0.21980159002124597,0.012661914879035022,0.010939962990884792,0.09835900555136727
EOS-2-29836,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ns2)nc1,GEEZXTLAAIONRB-UHFFFAOYSA-N,2,1,0.607,27,996,471.424,4.024,5,0.351,0.74,1.0,0.7862723596737715,0.8802515249126174,0.6249400315262833,0.6360856007127681,0.73188737920636
EOS-2-29837,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5cscn5)cn4)n23)cc1,DSYUJDWGDDMHFP-UHFFFAOYSA-N,2,1,0.598,27,996,471.424,4.182,5,0.364,0.74,1.0,0.8290384483585772,0.8308803371941608,0.8889555205263519,0.7894678226303886,0.8345855321773696
EOS-2-29838,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)nn5)cc4)n23)c1,UDUFNEQSFFKRET-UHFFFAOYSA-N,2,1,0.585,1,431,471.427,4.3,5,0.345,0.73,1.0,0.9619799876636282,0.8935987937769858,0.9260160372832568,0.884929065862518,0.9166309711465972
EOS-2-29839,C#CCOc1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1nccc(C)n1,UGMAJGYSDSWPSM-UHFFFAOYSA-N,2,1,0.464,49,573,471.427,4.034,5,0.342,0.62,1.0,0.8953978479884861,0.7532725652799671,0.6574600781303543,0.5724333493249263,0.7196409601809335
EOS-2-29840,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nnc6c(F)cccn56)n34)nc2)nc1,DGRHUAVGDZUBTF-UHFFFAOYSA-N,2,1,0.394,54,162,471.431,3.191,6,0.364,0.55,1.0,0.5738554588444932,0.5252295935850867,0.26811047906243574,0.37772428209170034,0.436229953395929
EOS-2-29841,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cc1F,BXXMICBODQOTPQ-UHFFFAOYSA-N,2,1,0.443,43,763,471.431,3.619,6,0.395,0.71,1.0,0.5364865327941882,0.5527037214721403,0.6304742649578507,0.6387670481803852,0.5896078918511412
EOS-2-29842,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)nn6)cc5F)n34)cc2F)o1,QCVGAFOETFTVRO-UHFFFAOYSA-N,2,1,0.325,3,424,471.431,3.89,6,0.381,0.64,1.0,0.202496401891577,0.34129771777122886,0.5455417723254061,0.5464755671304229,0.4089528647796587
EOS-2-29843,Fc1ccc(-c2nnc3cncc(-c4nnc5cncc(OCCc6cccnc6)n45)n23)c(F)c1,KDHDFACXVIOIJE-UHFFFAOYSA-N,2,1,0.646,35,619,471.431,3.191,6,0.364,0.64,1.0,0.8267596463573436,0.8117760948529916,0.4559488725926941,0.57548317455966,0.6674919470906724
EOS-2-29844,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncc(F)cc6CF)nn5)n34)cc2)o1,RKJGSUCZEIFKKF-UHFFFAOYSA-N,2,1,0.324,98,303,471.431,4.006,6,0.371,0.67,1.0,0.0939962990884792,0.26603728325680215,0.3904890000685354,0.40551538619697075,0.2890094921526969
EOS-2-29845,Cn1c(CF)nc(-c2cccc(F)c2)c1-c1nnc2cncc(-c3ccc(-c4nnco4)cn3)n12,LBQSRCXOUUZCNE-UHFFFAOYSA-N,2,1,0.297,10,572,471.431,3.912,6,0.372,0.65,0.967,0.16889692276060586,0.25566273730381744,0.20400418065931053,0.3008961003358235,0.23236498526488933
EOS-2-29846,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6nccc(C(F)F)n6)c5)n34)cc2)o1,XEFQODSBNQZNIE-UHFFFAOYSA-N,2,1,0.287,42,303,471.431,4.335,6,0.365,0.73,0.999,0.048891439928723184,0.17855184702899046,0.5816599273524775,0.4750531149338633,0.32103908231101363
EOS-2-29847,Cc1noc(-c2ccc(-c3nnc4cncc(-c5nn(C)cc5-c5ccc(F)cc5F)n34)nc2)n1,VTZFINHJQFBSSC-UHFFFAOYSA-N,2,1,0.284,70,693,471.431,3.89,6,0.381,0.73,1.0,0.18014529504489069,0.2921492700980056,0.4232317867178398,0.44716777465560964,0.3356735316290864
EOS-2-29848,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)ccc5F)n34)c(F)c2)o1,JBQPNHAIPALYMD-UHFFFAOYSA-N,2,1,0.333,3,745,471.431,3.89,6,0.381,0.73,1.0,0.29232060859433895,0.42231512576245633,0.5043262970324173,0.5165170310465356,0.433869765608937
EOS-2-29849,Cc1noc(-c2cc(F)c(-c3nnc4cncc(-c5cccc(-c6nncn6C)c5)n34)cc2F)n1,YCCNXTYHDSJVND-UHFFFAOYSA-N,2,1,0.322,96,314,471.431,3.89,6,0.381,0.64,1.0,0.2493317798642999,0.29716948804057297,0.4629052155438284,0.4780172709204304,0.37185593859228294
EOS-2-29850,Fc1ccc(-n2ncnc2COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1F,OPLCINFGZCIZDN-UHFFFAOYSA-N,2,1,0.443,43,763,471.431,3.619,6,0.395,0.66,1.0,0.5910578438763622,0.5576297032417243,0.6191487903502159,0.6329072716057844,0.6001859022685218
EOS-2-29851,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc6nncn6n5)c(F)c4)n23)n1,ZPTSGTKAUVDJOP-UHFFFAOYSA-N,2,1,0.465,72,639,471.431,3.191,6,0.341,0.68,1.0,0.8570094578849976,0.8157425810431088,0.5081557124254678,0.5564046329929409,0.6843280960866288
EOS-2-29852,Cn1nnc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)c2)n1,KBQCWUQKWAQPGD-UHFFFAOYSA-N,2,1,0.337,67,745,471.435,2.722,6,0.385,0.68,1.0,0.2191076691110959,0.3941642108148859,0.33785381399492836,0.39638304434240285,0.3368771845658282
EOS-2-29853,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnn(Cc6ccc(F)cc6F)n5)n34)cc2)n[nH]1,RDSLZFIEMVNGRT-UHFFFAOYSA-N,2,1,0.299,61,221,471.435,2.865,6,0.407,0.67,1.0,0.2412703036118155,0.3268881502295936,0.20761942293194435,0.29786340895072305,0.2684103214310191
EOS-2-29854,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnn(Cc6cc(F)ccc6F)n5)n34)nc2)n[nH]1,PBBZWCMCTVVYQU-UHFFFAOYSA-N,2,1,0.273,22,221,471.435,2.865,6,0.407,0.62,0.003,0.13083407580015077,0.25063395243643344,0.2285484202590638,0.32586011925159347,0.2339691419368104
EOS-2-29855,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3ccsc3-c3cccnc3F)n12,NQBGGZTYFWXALK-UHFFFAOYSA-N,2,1,0.478,97,89,471.439,5.71,5,0.235,0.66,1.0,0.8824703584401343,0.9115036666438215,0.972174628195463,0.9612689329038449,0.9318543965458159
EOS-2-29856,Fc1cc(-c2nnc3cncc(OCCc4ccsc4F)n23)ccc1-c1cnc(F)c(F)c1,YYBLBXJNLBQVFP-UHFFFAOYSA-N,2,1,0.585,88,919,471.439,5.093,5,0.255,0.55,1.0,0.9396374477417586,0.9211414570625728,0.9577393598793777,0.9525820711397437,0.9427750839558631
EOS-2-29857,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)cc5)c4)n23)ccc1F,GSRTYWCDDOXFMO-UHFFFAOYSA-N,2,1,0.701,57,497,471.442,5.369,5,0.333,0.76,1.0,0.995305325200466,0.9961277499828661,0.9854105270372148,0.9859845109999315,0.9907070283051196
EOS-2-29858,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)c(F)c4)n23)cc1,NTARIHGXZPVDBX-UHFFFAOYSA-N,2,1,0.728,79,590,471.448,5.252,5,0.225,0.79,1.0,0.9767750668220135,0.7616167500514015,0.7794616544445206,0.5820026043451443,0.77496401891577
EOS-2-29859,CCOc1nc(-c2nnc3cncc(OCCc4cc(C#N)co4)n23)ccc1-c1ccc(F)cn1,OEJNQYLSBDJAFF-UHFFFAOYSA-N,2,1,0.412,49,501,471.452,3.872,5,0.332,0.63,0.947,0.7214550065108628,0.6056730176135974,0.497318552532383,0.4089592899732712,0.5583514666575286
EOS-2-29860,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c(F)cc1-c1csnn1,RLFRPJCYXKLTPE-UHFFFAOYSA-N,2,1,0.296,10,287,471.456,4.107,6,0.378,0.64,1.0,0.1170670276197656,0.24070488657391542,0.5756288122815434,0.6183520663422658,0.3879381982043726
EOS-2-29861,N#Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)nc1F,HXLGTVAGEHMQII-UHFFFAOYSA-N,2,1,0.361,38,818,471.459,4.383,6,0.348,0.76,1.0,0.3797375094236173,0.4884346514974985,0.7081591391953944,0.7105750119936948,0.5717265780275512
EOS-2-29862,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4F)n23)n(C)n1,IYRRUHFYKPEMAV-UHFFFAOYSA-N,2,1,0.336,36,292,471.46,3.125,6,0.392,0.57,1.0,0.4355338907545747,0.5342591323418545,0.1333613186210678,0.1391868274964019,0.3105852923034747
EOS-2-29863,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)n(C)n1,WXLDTQDOYRKTHO-UHFFFAOYSA-N,2,1,0.346,67,292,471.46,3.125,6,0.392,0.57,1.0,0.4708039202247961,0.5296672606401206,0.13972654375985197,0.14387293537111917,0.321017664998972
EOS-2-29864,O=c1[nH]c(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6ncco6)n5)n34)c2)ns1,BHHDDFNGDYZASQ-UHFFFAOYSA-N,2,1,0.398,28,297,471.462,2.627,6,0.384,0.41,0.974,0.21102905900897814,0.1463744774175862,0.08097457336714413,0.067490233705709,0.12646708587485436
EOS-2-29865,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)c(F)c5)n34)cs2)n1C,GQWTWXQRNPOKAO-UHFFFAOYSA-N,2,1,0.506,36,51,471.468,4.612,5,0.36,0.63,0.999,0.6194914673428826,0.5963350695634295,0.6792543348639573,0.6298146117469673,0.6312238708793092
EOS-2-29866,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5nc(C(F)(F)F)cs5)n34)c2)nn1C,HXPUVKNCWAMAIZ-UHFFFAOYSA-N,2,1,0.511,27,506,471.468,4.555,5,0.374,0.69,1.0,0.46108046055787816,0.5963436364882462,0.7724796107189363,0.5628041258309917,0.5981769583990131
EOS-2-29867,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cnc(C5CC5)nc4)c3)n12,FCVBISZBIBCGIB-UHFFFAOYSA-N,2,1,0.528,35,494,471.471,4.42,6,0.347,0.72,1.0,0.8986704132684532,0.9155472551572887,0.47653519292714686,0.597071825097663,0.7219561716126379
EOS-2-29868,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5nc(C)cc(=O)n5C)c(OC)c4)n23)cn1,RFXPVCHZZNGAHX-UHFFFAOYSA-N,2,1,0.402,15,771,471.477,3.065,5,0.368,0.72,1.0,0.31840689466109245,0.1317336029059009,0.25382084846823383,0.10767767802069769,0.20290975601398123
EOS-2-29869,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncs5)n4)n23)cc1-c1cnco1,CDIJIOCRBCDZQE-UHFFFAOYSA-N,2,1,0.535,28,667,471.477,4.683,6,0.345,0.7,1.0,0.7335429374271811,0.7616253169762183,0.6071722294565143,0.5628126927558084,0.6662882941539305
EOS-2-29870,c1csc(-c2ccc(-c3nnc4cncc(-c5cnn(C6CCOCC6)c5)n34)cc2)c1,HLKQWKLAUFUPBC-UHFFFAOYSA-N,2,1,0.316,52,336,428.521,4.735,6,0.414,0.74,1.0,0.038499760126105134,0.0327342197244877,0.1105989993831814,0.27384175176478653,0.11391868274964019
EOS-2-29871,Cc1cccnc1CCOc1cncc2nnc(-c3cccc(-c4scnc4C)c3)n12,NPRMLVVOHYESLC-UHFFFAOYSA-N,2,1,0.56,15,655,428.521,4.548,5,0.395,0.72,1.0,0.47360530463984646,0.41325988623123844,0.2538294153930505,0.20024330066479337,0.3352344767322322
EOS-2-29872,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccc2C)cn1,IVGDAIMYJYDAJD-UHFFFAOYSA-N,2,1,0.564,35,4,428.521,4.548,5,0.395,0.67,1.0,0.5995819340689467,0.4980296072921664,0.4905849496264821,0.3807655404016174,0.4922405078473031
EOS-2-29873,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)s1,LTCZKDGTQCMLCB-UHFFFAOYSA-N,2,1,0.484,81,609,471.481,3.813,6,0.389,0.74,1.0,0.6936896031800425,0.6200825851552326,0.4013689945857035,0.38370399561373447,0.5247112946336783
EOS-2-29874,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)s6)cn5)n34)c(F)c2)o1,JIUXGCSPICJPBF-UHFFFAOYSA-N,2,1,0.36,98,424,471.481,4.178,6,0.373,0.63,1.0,0.27056061956000277,0.40381056815845384,0.18029093276677405,0.18927763689945856,0.26098493934617234
EOS-2-29875,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)c(C5CCOCO5)n4)n23)n1,DHSPDUHKHZZHTH-UHFFFAOYSA-N,2,1,0.327,31,690,471.481,2.391,6,0.364,0.52,0.031,0.16626687684188884,0.01544616544445206,0.04363134809128915,0.049902337057089984,0.06881168185868002
EOS-2-29876,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ccc(-n4cncn4)nc3)n12,XYFGKTWDJXWMTK-UHFFFAOYSA-N,2,1,0.438,97,247,471.481,3.609,6,0.362,0.69,1.0,0.397539579192653,0.39904735796038654,0.42324035364265644,0.38077410732643413,0.4001503495305325
EOS-2-29877,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)ccc1-c1nc[nH]n1,QZHDEJBAMODOJE-UHFFFAOYSA-N,2,1,0.544,40,425,471.481,3.813,6,0.389,0.62,1.0,0.5968662189020629,0.6156020834761154,0.46640908779384554,0.42819203618669044,0.5267673565896787
EOS-2-29878,Fc1ccc(-c2ncsc2COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,UDNVVLWEYYLRGO-UHFFFAOYSA-N,2,1,0.457,40,425,471.481,3.813,6,0.364,0.6,1.0,0.7061716126379275,0.6291463916112672,0.3678723185525324,0.3516551298745802,0.5137113631690768
EOS-2-29879,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)c(F)c1,OSDBPPWYNQOCAK-UHFFFAOYSA-N,2,1,0.449,67,870,471.481,4.037,6,0.371,0.65,1.0,0.48590740867658144,0.5917089301624289,0.33057192790076073,0.31670207662257555,0.4312225858405867
EOS-2-29880,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccns5)cn4)n23)ccc1-c1nc[nH]n1,DKJOHQWNVCLGPT-UHFFFAOYSA-N,2,1,0.558,40,425,471.481,3.813,6,0.389,0.54,1.0,0.6138030292646152,0.6010297443629635,0.4664176547186622,0.4344801590021246,0.5289326468370914
EOS-2-29881,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cs2)cc1,UNJPHRIVJNRGHS-UHFFFAOYSA-N,2,1,0.506,77,893,471.481,3.813,6,0.389,0.82,1.0,0.6394181344664519,0.6878555273798918,0.38691659241998494,0.4055239531217874,0.529928551847029
EOS-2-29882,COc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(F)[nH]n6)nc5)n34)cc2)s1,FSYARXFWWBXOPE-UHFFFAOYSA-N,2,1,0.312,9,787,471.481,3.91,6,0.402,0.63,1.0,0.46355630182989516,0.48844321842231514,0.29391405661023917,0.2709975327256528,0.37922777739702557
EOS-2-29883,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnsc6C)cn5)n34)c(F)c2)o1,OFGPVEOUAKRLJY-UHFFFAOYSA-N,2,1,0.329,98,424,471.481,4.178,6,0.373,0.68,1.0,0.18305804948255774,0.3413062846960455,0.18677609485299157,0.21234836543074498,0.23087219861558494
EOS-2-29884,Cn1nc(-c2nnc3ccccn23)cc1-c1cncc2nnc(-c3ccc(-c4cccnc4)cn3)n12,VXIJBZACIGHHNE-UHFFFAOYSA-N,2,1,0.267,70,934,471.488,3.359,7,0.384,0.59,1.0,0.04296312795558906,0.022539579192653005,0.1485761770954698,0.21788259886231237,0.10799037077650606
EOS-2-29885,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cc5F)n34)s2)no1,KAUMDYTVCKGAGC-UHFFFAOYSA-N,2,1,0.4,32,126,471.492,6.428,6,0.296,0.68,0.948,0.2705691864848194,0.49317216092111577,0.8701853882530327,0.8889983551504352,0.6307312727023507
EOS-2-29886,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)cn2)n[nH]1,FBQHNVNUSBJITH-UHFFFAOYSA-N,2,1,0.263,70,392,428.506,4.428,6,0.446,0.57,1.0,0.08437564251936125,0.13174216983071757,0.25014563772188336,0.2978719758755397,0.1910338564868755
EOS-2-29887,Cn1nc(-c2ccc(F)c(F)c2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)s3)n12,DBJYCPRAQJKVEK-UHFFFAOYSA-N,2,1,0.33,30,298,471.496,5.261,6,0.351,0.71,1.0,0.16890548968542252,0.34650640805976285,0.5388767048180385,0.6646648619011719,0.42973836611609895
EOS-2-29888,Cn1ncc(-c2cncc3nnc(-c4scnc4-c4ccc(F)cc4)n23)c1-c1ccc(F)cc1,UGCJGXSDXFMQGB-UHFFFAOYSA-N,2,1,0.378,3,192,471.496,5.261,6,0.351,0.75,1.0,0.15271400178192035,0.2921578370228223,0.6792629017887739,0.7779367418271538,0.4755178706051676
EOS-2-29889,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)s1,KPIJUMBUSVPHIC-UHFFFAOYSA-N,2,1,0.367,3,673,471.496,5.354,6,0.346,0.7,0.998,0.0020903296552669455,0.14638304434240285,0.6489445548625865,0.7426495785072991,0.38501687684188884
EOS-2-29890,FC(F)c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)cn2)nc1,FOLGRQDBYBJPOH-UHFFFAOYSA-N,2,1,0.306,38,150,471.496,5.705,6,0.322,0.74,1.0,0.02259954766636968,0.20988109108354466,0.8755482831882667,0.8610102117743814,0.49225978342814064
EOS-2-29891,CN(C)c1ccc(CCOc2cncc3nnc(-c4ccc(Oc5cncc(F)c5)cc4)n23)cn1,PEEXQLNQOPLFPI-UHFFFAOYSA-N,2,1,0.571,35,881,471.496,4.2,5,0.333,0.77,1.0,0.6278013844150504,0.5765369063121102,0.5656055102460421,0.3710078130354328,0.5352379035021588
EOS-2-29892,c1ncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccsc6)cs5)n34)cc2)o1,WADIICGUUYTAMH-UHFFFAOYSA-N,2,1,0.333,38,818,428.502,5.298,6,0.379,0.63,1.0,0.16346549242683847,0.1957370982112261,0.41927386745253925,0.4533445274484271,0.30795524638475774
EOS-2-29893,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)o2)cc1,RRYWCSYZSVFUGK-UHFFFAOYSA-N,2,1,0.296,76,653,428.502,5.298,6,0.379,0.66,1.0,0.020509218011102736,0.03873106709615516,0.35305153861969707,0.4437153039544925,0.21400178192036184
EOS-2-29894,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cccc(-c4ncc(C)n4C)c3)n12,ZOVOHQVOOZDBFF-UHFFFAOYSA-N,2,1,0.557,15,460,428.5,3.164,5,0.413,0.69,1.0,0.22172058118017957,0.17427695154547324,0.10264032622849702,0.058058049482557744,0.1391739771091769
EOS-2-29895,CN(C)Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)cn1,FIONCGKGMDKOLL-UHFFFAOYSA-N,2,1,0.522,75,454,471.5,2.861,5,0.338,0.69,1.0,0.3750942361729833,0.3363289013775615,0.27582927832225346,0.18370056884380784,0.29273824617915156
EOS-2-29896,CCn1cc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)n(C)n4)n23)c(C)n1,RPAJBFUVAQMABI-UHFFFAOYSA-N,2,1,0.482,95,54,428.5,3.338,5,0.395,0.75,1.0,0.07786477965869372,0.046269960934822836,0.05242101295319032,0.04579021314508944,0.05558649167294908
EOS-2-29897,CC(C)N=c1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)c[nH]1,ZLNGVAFGLNYDAS-UHFFFAOYSA-N,2,1,0.495,65,981,471.5,3.041,5,0.387,0.4,0.748,0.5467839764238229,0.4084281406346378,0.3492221232266466,0.22659516140086355,0.3827573504214927
EOS-2-29898,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cnc(CN(C)C)nc5)ccn4)n23)c1F,JJJMCMLPQBQXQN-UHFFFAOYSA-N,2,1,0.359,18,840,471.5,3.126,5,0.354,0.7,1.0,0.3543194434925639,0.2556713042286341,0.2939226235350559,0.16720067164690564,0.2677785107257899
EOS-2-29899,CCn1cc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)c(C)n1,LZFNDMGETNGVRC-UHFFFAOYSA-N,2,1,0.524,15,460,428.5,3.338,5,0.395,0.73,1.0,0.2811836063326708,0.2407134534987321,0.11646734288259886,0.07305873483654307,0.17785578438763622
EOS-2-29900,CCn1cc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4)n23)c(C)n1,DONXQBGPPMZKRH-UHFFFAOYSA-N,2,1,0.544,15,460,428.5,3.338,5,0.395,0.79,1.0,0.28405352614625456,0.2302275375231307,0.15175450620245357,0.09923069015146323,0.19131656500582553
EOS-2-29901,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)n1,PPXBTOMAROJNSR-UHFFFAOYSA-N,2,1,0.391,21,810,428.499,5.526,6,0.371,0.86,1.0,0.15004112123912,0.10891988211911452,0.8010160372832568,0.8049653896237406,0.466235607566308
EOS-2-29902,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,ISSWQCUTKUVPNI-UHFFFAOYSA-N,2,1,0.413,21,810,428.499,5.526,6,0.371,0.79,1.0,0.22172914810499622,0.09265985881707903,0.7699952025221026,0.7803954492495374,0.4661949146734289
EOS-2-29903,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1-c1ccccc1,GDJHJCAMQAZYGB-UHFFFAOYSA-N,2,1,0.391,21,810,428.499,5.526,6,0.371,0.72,1.0,0.08010931396066068,0.08966143513124529,0.7081677061202111,0.7659002124597355,0.41095966691796315
EOS-2-29904,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4ccccc4)cc3)n12,HLZABBOYVVQUJE-UHFFFAOYSA-N,2,1,0.304,21,810,428.499,5.526,6,0.371,0.77,1.0,0.04148104996230553,0.029701528339387294,0.6071807963813309,0.7046724007950106,0.34575894386950856
EOS-2-29905,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cn1,GESAZACOHDZGFC-UHFFFAOYSA-N,2,1,0.397,21,810,428.499,5.526,6,0.371,0.85,1.0,0.12498286615036666,0.09266842574189568,0.8411777808237955,0.8418203001850456,0.47516234322527584
EOS-2-29906,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cn1,BIFDRYBTSHILSP-UHFFFAOYSA-N,2,1,0.397,21,810,428.499,5.526,6,0.371,0.85,1.0,0.12499143307518333,0.09267699266671235,0.8411863477486121,0.8418288671098623,0.4751709101500925
EOS-2-29907,Cn1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)c(-c2ccccc2)n1,KPWIJKAFONJYSE-UHFFFAOYSA-N,2,1,0.354,21,810,428.499,5.526,6,0.371,0.78,1.0,0.06988040572955932,0.07622849701871016,0.6681344664519224,0.7399595641148653,0.38855073332876433
EOS-2-29908,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)cn1,WFXDKXSPJBZPDR-UHFFFAOYSA-N,2,1,0.379,21,810,428.499,5.526,6,0.371,0.73,1.0,0.11432561167843192,0.09268555959152902,0.8330906037968611,0.8378709478445617,0.46949318072784596
EOS-2-29909,Cc1ccccc1-n1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,DXAXKKXMJYFHCM-UHFFFAOYSA-N,2,1,0.338,93,107,428.499,5.619,6,0.366,0.81,1.0,0.044428072099239255,0.08967000205606196,0.7134449318072784,0.7426581454321157,0.39755028784867386
EOS-2-29910,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccs6)nn5C)n34)cc2)o1,DDMQAOIXXSXCKL-UHFFFAOYSA-N,2,1,0.43,71,415,471.506,3.586,6,0.359,0.7,1.0,0.41496470426975535,0.40843670755945444,0.03013844150503735,0.024252964155986566,0.2194482043725584
EOS-2-29911,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccnn6C)cs5)n34)cn2)n1,FPKWWQRVVDMVNK-UHFFFAOYSA-N,2,1,0.423,6,843,471.506,3.586,6,0.359,0.68,1.0,0.4105270372147214,0.32235624700157633,0.1248115276540333,0.08219107669111096,0.23497147214036052
EOS-2-29912,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)no2)n1C,JUSUAAZSNDJIHJ-UHFFFAOYSA-N,2,1,0.495,40,415,471.506,3.586,6,0.359,0.68,1.0,0.3257316153793434,0.2813549448290042,0.04703241724350627,0.04198649852648893,0.1740263689945857
EOS-2-29913,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccsc5)o4)n23)cn1,RGGHCUVCBRWIEN-UHFFFAOYSA-N,2,1,0.4,6,843,471.506,3.586,6,0.359,0.69,0.999,0.2840620930710712,0.2605972859982181,0.07871290521554383,0.056558837639640876,0.1699827804811185
EOS-2-29914,Cn1nc(-c2nnc3cncc(OCCc4cn(-c5cccs5)nn4)n23)cc1-c1cnccn1,KGMGYVCZOIHCJN-UHFFFAOYSA-N,2,1,0.362,31,569,471.51,2.246,6,0.344,0.5,0.999,0.1278442190391337,0.049739565485573296,0.018127612912069085,0.017228085806318964,0.05323487081077376
EOS-2-29915,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6csnn6)nn5C)n34)cc2)n[nH]1,XQXCLHIVCYLHGI-UHFFFAOYSA-N,2,1,0.412,71,415,471.51,2.716,6,0.388,0.63,1.0,0.2951134260845727,0.25567987115345076,0.05432287026249057,0.03817421698307176,0.16082259612089644
EOS-2-29916,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)c5)n34)cc2)cc1,FWEZJCHLXUTGIO-UHFFFAOYSA-N,2,1,0.593,17,403,471.52,6.225,6,0.275,0.76,1.0,0.7945737098211226,0.47082962099924613,0.8673840038379823,0.839901309026112,0.7431721609211158
EOS-2-29917,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cc2)cc1,NBINJZZNTQHMQY-UHFFFAOYSA-N,2,1,0.595,17,403,471.52,6.225,6,0.275,0.82,1.0,0.8135580152148585,0.4980381742169831,0.8728925364950997,0.8418374340346789,0.756581539990405
EOS-2-29918,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)c5)n34)cc2)cc1,TZJWQWRETAOPPK-UHFFFAOYSA-N,2,1,0.585,17,403,471.52,6.225,6,0.275,0.83,1.0,0.8057364128572407,0.4931807278459324,0.8379823178671784,0.8028322253443904,0.7349329209786855
EOS-2-29919,c1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)cc1,DYIOKMGQYVJXPM-UHFFFAOYSA-N,2,1,0.56,17,47,471.52,6.225,6,0.275,0.7,1.0,0.6967394284147762,0.4708381879240628,0.8296981015694607,0.7894763895552053,0.6966880268658762
EOS-2-29920,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cc5)n34)cc2)cc1,SRWHMWKRYSJFHP-UHFFFAOYSA-N,2,1,0.608,17,403,471.52,6.225,6,0.275,0.85,1.0,0.8159224864642588,0.5024758412720169,0.8459838256459461,0.8070642862038243,0.7428616098965115
EOS-2-29921,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cc5)n34)cc2)cc1,JRYNSKCHTNAMSD-UHFFFAOYSA-N,2,1,0.615,17,403,471.52,6.225,6,0.275,0.82,1.0,0.8159310533890755,0.4884517853471318,0.8742889452402166,0.8436364882461792,0.7555770680556507
EOS-2-29922,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)cn5)n34)cc2)cc1,IOXMNEXIJQBPPT-UHFFFAOYSA-N,2,1,0.554,21,47,471.52,5.805,6,0.33,0.73,1.0,0.5417380577068056,0.4623140977314783,0.8493591940237133,0.8276934411623603,0.6702761976560894
EOS-2-29923,COc1ccc(-c2cc(-c3nnc4cncc(OCCCOCc5ccccc5)n34)nn2C)cn1,VFKVVQRUYIYBNA-UHFFFAOYSA-N,2,1,0.408,95,54,471.521,3.581,5,0.285,0.76,0.999,0.1112929202933315,0.010845726817901446,0.2143101912137619,0.15152319923240354,0.1219930093893496
EOS-2-29924,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccc(=N)[nH]n6)cc5)n34)cc2)cc1,VXTQEUGMZMRNRB-UHFFFAOYSA-N,2,1,0.477,21,47,471.524,5.429,6,0.349,0.82,1.0,0.7183023781783291,0.4838170790213145,0.7964670002056062,0.734682338427798,0.6833171989582619
EOS-2-29925,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)cc1,SLJNDEWTYUWQEK-UHFFFAOYSA-N,2,1,0.557,12,285,471.524,4.932,6,0.326,0.73,1.0,0.8135665821396751,0.6538791035569872,0.5944246453293126,0.5820111712699609,0.660970375573984
EOS-2-29926,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cc2)nc1,WTRVPACOWIGLSS-UHFFFAOYSA-N,2,1,0.623,12,323,471.524,4.932,6,0.326,0.78,1.0,0.8916626687684189,0.7576245630868343,0.6516517031046536,0.612569392091015,0.7283770817627305
EOS-2-29927,Cc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccncc5)n4)n23)cc1,QCKUMEKTMGQOAU-UHFFFAOYSA-N,2,1,0.467,41,25,471.524,5.198,6,0.33,0.76,1.0,0.5032639983551505,0.3845264203961346,0.6654787197587554,0.6183606332670825,0.5429074429442807
EOS-2-29928,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cn5)n34)cc2)cn1,VMNYTMFJLCVNRM-UHFFFAOYSA-N,2,1,0.583,12,592,471.524,5.198,6,0.33,0.78,1.0,0.5108028921938181,0.4577136591049277,0.6738486053046399,0.5911692138989788,0.5583835926255911
EOS-2-29929,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)c5)n34)cc2)nn1,MITUPFRAGDWQMI-UHFFFAOYSA-N,2,1,0.489,12,323,471.524,5.198,6,0.33,0.77,1.0,0.6081916935096977,0.41792886025632237,0.7007401823041601,0.6417483380165856,0.5921522685216914
EOS-2-29930,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)cc1,ZQXVWVIDENVCDO-UHFFFAOYSA-N,2,1,0.615,12,323,471.524,4.932,6,0.326,0.75,1.0,0.8986789801932699,0.7027619765608937,0.6010468782125968,0.5787985744637105,0.6953216023576176
EOS-2-29931,COc1cc(-c2ccc(C)nn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,HDRQWNJYLYITQY-UHFFFAOYSA-N,2,1,0.333,69,152,471.524,5.294,6,0.337,0.78,1.0,0.1830666164073744,0.06118497704064149,0.657468645055171,0.5594287574532246,0.36528724898910286
EOS-2-29932,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccn6)nc5)n34)cc2)nc1,YATNAPHUJHCESS-UHFFFAOYSA-N,2,1,0.613,28,120,471.524,4.932,6,0.326,0.85,1.0,0.9033993557672538,0.7532811322047838,0.5558392159550408,0.5132873003906517,0.6814517510794325
EOS-2-29933,CCOc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,SIZXWJVSFKEUHS-UHFFFAOYSA-N,2,1,0.309,30,93,471.524,5.376,6,0.322,0.72,0.988,0.3283016928243438,0.26060585292303473,0.5455503392502228,0.49011376876156537,0.40614291343979164
EOS-2-29934,c1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cccnc6)nc5)n34)cc2)c1,IAMKXEHHVFPSBU-UHFFFAOYSA-N,2,1,0.577,41,25,471.524,4.932,6,0.326,0.81,1.0,0.872729764923583,0.7489034336234666,0.6628658076896717,0.6240490713453499,0.7271370193955178
EOS-2-29935,COc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(C)n6)cc5)n34)cc2)cn1,LIEGPNWPAJPZMN-UHFFFAOYSA-N,2,1,0.313,69,645,471.524,5.294,6,0.337,0.77,1.0,0.3079038448358577,0.17428551847028992,0.6400006853539854,0.5334795421835378,0.41391739771091773
EOS-2-29936,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)n6C)s5)n34)c(F)c2)n[nH]1,WESLZQZLUYDFCH-UHFFFAOYSA-N,2,1,0.31,98,259,471.525,4.461,6,0.407,0.69,0.273,0.19984065519841,0.35120108285929685,0.207627989856761,0.2384774861215818,0.24928680350901242
EOS-2-29937,Cn1cc(-c2ccc(-c3nnc4cncc(OC(C)(C)c5cccc(F)c5)n34)cc2)cn1,BDTDFPNMXYJUQK-UHFFFAOYSA-N,2,1,0.506,91,322,428.471,4.645,5,0.408,0.77,1.0,0.6027002947022136,0.6878640943047084,0.9317987115345076,0.8454526763073127,0.7669539442121855
EOS-2-29938,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccsc6)s5)n34)nc2)cn1,NNXBXSJNNODOFQ-UHFFFAOYSA-N,2,1,0.411,80,277,471.531,3.802,6,0.357,0.62,1.0,0.2754951682544034,0.30195839901309024,0.0787214721403605,0.08937015968747858,0.1863862997738332
EOS-2-29939,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6csnn6)s5)n34)cc2)c1,NITJAXSBQSTGAO-UHFFFAOYSA-N,2,1,0.5,81,49,471.531,3.802,6,0.357,0.65,1.0,0.4610890274826948,0.39417277773970255,0.12219861558494963,0.13919539442121856,0.2791639538071414
EOS-2-29940,c1csc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6nccs6)c5)n34)nc2)n1,GPGACHTVDRUSLU-UHFFFAOYSA-N,2,1,0.418,6,297,471.531,3.802,6,0.357,0.62,0.966,0.43803543280104174,0.40844527448427115,0.10796038653964773,0.1013381536563635,0.26394481187033103
EOS-2-29941,c1csc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cn5)n34)nc2)n1,LRRLPMKOVQMARU-UHFFFAOYSA-N,2,1,0.452,6,280,471.531,3.802,6,0.357,0.63,1.0,0.2134877664313618,0.2506425193612501,0.15788842437118772,0.14388150229593585,0.19147505311493387
EOS-2-29942,c1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)s2)cn1,PXJZTHUDWCFMPA-UHFFFAOYSA-N,2,1,0.471,80,277,471.531,3.802,6,0.357,0.65,1.0,0.4355424576793914,0.4665461585909122,0.10796895346446439,0.1035484202590638,0.27840149749845794
EOS-2-29943,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccsc6)ns5)n34)cn2)cn1,REOVKHUVUVYPEL-UHFFFAOYSA-N,2,1,0.415,80,277,471.531,3.802,6,0.357,0.68,1.0,0.34523850318689603,0.4132684531560551,0.07439517510794326,0.08392159550407785,0.22920593173874307
EOS-2-29944,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nc2)nc1,HMKHVFDIGFGPCS-UHFFFAOYSA-N,2,1,0.354,32,687,428.459,4.372,6,0.411,0.82,1.0,0.09171749708724557,0.11202110890274827,0.45245356726749364,0.472123226646563,0.2820788499760126
EOS-2-29945,c1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)cc1,KKQYAVIXNPSHRN-UHFFFAOYSA-N,2,1,0.388,93,220,428.459,4.372,6,0.411,0.82,1.0,0.1334384209444178,0.12854670687410047,0.4232489205674731,0.4871239120005483,0.2930894900966349
EOS-2-29946,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nc2)nc1,PDNXSWULXRLTLF-UHFFFAOYSA-N,2,1,0.353,32,20,428.459,4.372,6,0.411,0.74,1.0,0.14685422520731958,0.13175073675553423,0.5187701322733191,0.5262062230141868,0.3308953293125899
EOS-2-29947,c1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)c1,PCYJNUVVVLMTAE-UHFFFAOYSA-N,2,1,0.329,38,818,428.459,4.372,6,0.411,0.71,1.0,0.12222431635939963,0.14639161126721953,0.6161846343636488,0.626961825783017,0.3779405969433212
EOS-2-29948,c1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cc1,KSOCTWJFNRYVEI-UHFFFAOYSA-N,2,1,0.368,69,594,428.459,4.372,6,0.411,0.75,1.0,0.13868994585703515,0.15803406209307108,0.5880251524912617,0.6154992803783154,0.37506211020492086
EOS-2-29949,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cn2)cc1,ZSTUETTZTOWROI-UHFFFAOYSA-N,2,1,0.338,32,945,428.459,4.372,6,0.411,0.77,1.0,0.17429408539510657,0.12142759235144952,0.4379925981769584,0.46903056678774585,0.3006862106778151
EOS-2-29950,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccccc6)n5)n34)nc2)cc1,GVYZJLQRBQHQQN-UHFFFAOYSA-N,2,1,0.329,30,737,428.459,4.372,6,0.411,0.69,1.0,0.09871667466246316,0.11806935782331575,0.3904975669933521,0.490122335686382,0.27435148379137825
EOS-2-29951,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)nc1,OYIPADDUWGEPIA-UHFFFAOYSA-N,2,1,0.333,38,479,428.459,4.372,6,0.411,0.77,1.0,0.13624837228428482,0.14274210129531903,0.49059351655129874,0.4843482283599479,0.3134830546227126
EOS-2-29952,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnc6)n5)n34)cc2)cc1,CRYYBRRKKOGNKO-UHFFFAOYSA-N,2,1,0.373,93,651,428.459,4.372,6,0.411,0.8,1.0,0.15540401617435406,0.16194914673428826,0.48368000822424784,0.5693920910150092,0.34260631553697485
EOS-2-29953,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cn2)cc1,ONNTUQIADGTGTF-UHFFFAOYSA-N,2,1,0.333,30,945,428.459,4.372,6,0.411,0.76,0.995,0.10392536495099719,0.12855527379891715,0.584923925707628,0.5970803920224796,0.3536212391200055
EOS-2-29954,c1ccc(-c2ccccc2-c2nnc3cncc(-c4ccc(-c5nccnn5)cn4)n23)cc1,JZOCXCINJYQTLW-UHFFFAOYSA-N,2,1,0.353,30,651,428.459,4.372,6,0.411,0.71,1.0,0.15541258309917072,0.10892844904393119,0.4559574395175108,0.5334881091083544,0.31344664519224175
EOS-2-29955,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)nc2)cc1,XVRFQZVSMAZTOE-UHFFFAOYSA-N,2,1,0.304,32,170,428.459,4.372,6,0.411,0.81,0.998,0.06791857994654239,0.08320197381947776,0.572467617024193,0.6062213008018642,0.33245236789801935
EOS-2-29956,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccccn6)n5)n34)cc2)cc1,IUUQFCVHMMGYJV-UHFFFAOYSA-N,2,1,0.362,93,651,428.459,4.372,6,0.411,0.8,0.994,0.14421561236378588,0.1543245836474539,0.4192824343773559,0.5132958673154684,0.30777962442601603
EOS-2-29957,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccncc6)cn5)n34)cc2)nc1,XEBKZFNRAMYXJP-UHFFFAOYSA-N,2,1,0.357,32,174,428.459,4.372,6,0.411,0.77,1.0,0.13344698786923445,0.16195771365910494,0.5489856761017066,0.5594373243780413,0.35095692550202184
EOS-2-29958,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cc2)nc1,BRBWCXXFQRLABX-UHFFFAOYSA-N,2,1,0.319,69,57,428.459,4.372,6,0.411,0.7,1.0,0.09872524158727983,0.1353574121033514,0.6221300801864162,0.6125779590158317,0.3671976732232198
EOS-2-29959,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)c1,JWJSPKQBSKLKIR-UHFFFAOYSA-N,2,1,0.348,42,983,428.459,4.372,6,0.411,0.75,1.0,0.125,0.13910972517305187,0.6161932012884654,0.615507847303132,0.37395269344116233
EOS-2-29960,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cncnc6)n5)n34)cc2)cc1,AHNFERKVXCUACL-UHFFFAOYSA-N,2,1,0.352,93,651,428.459,4.372,6,0.411,0.75,0.996,0.1941436501953259,0.16575286135288878,0.5081642793502844,0.5594458913028579,0.3568766705503392
EOS-2-29961,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cc2)c1,WRYVESHSVUFEBH-UHFFFAOYSA-N,2,1,0.338,42,983,428.459,4.372,6,0.411,0.73,1.0,0.13345555479405113,0.1427506682201357,0.6129891714070317,0.6155164142279488,0.37617795216229183
EOS-2-29962,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)nc1,ASKDCGDKRQWJKR-UHFFFAOYSA-N,2,1,0.324,32,479,428.459,4.372,6,0.411,0.77,1.0,0.17153553560413953,0.13911829209786855,0.47654375985196357,0.4843567952847646,0.3178885957096841
EOS-2-29963,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)nc2)cc1,RVJATNXZZKBIRT-UHFFFAOYSA-N,2,1,0.292,30,301,428.459,4.372,6,0.411,0.8,1.0,0.14686279213213624,0.1055445137413474,0.43034233431567404,0.47506168185868003,0.28945283051195947
EOS-2-29964,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cn1,KVPPDAOIXQKGOV-UHFFFAOYSA-N,2,1,0.343,69,645,428.459,4.372,6,0.411,0.77,1.0,0.15004968816393668,0.15433315057227057,0.6927900760742923,0.685371119183058,0.4206360084983894
EOS-2-29965,c1cc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,MRDGSXDYUVIKAG-UHFFFAOYSA-N,2,1,0.338,42,171,428.459,4.372,6,0.411,0.74,1.0,0.15005825508875334,0.1285638407237338,0.6820214515797409,0.6793057364128572,0.40998732095127133
EOS-2-29966,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cn2)cc1,RLXHVAKAAALJGL-UHFFFAOYSA-N,2,1,0.364,32,327,428.459,4.372,6,0.411,0.73,1.0,0.14687135905695292,0.1180779247481324,0.5187786991981358,0.5398190665478719,0.33088676238777326
EOS-2-29967,c1ccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)nc2)cc1,AAQRMQHIOVJSMC-UHFFFAOYSA-N,2,1,0.288,30,737,428.459,4.372,6,0.411,0.57,0.986,0.07787334658351039,0.10216057843876362,0.36043622781166473,0.48436536220958126,0.25620887876088
EOS-2-29968,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cccnc6)c5)n34)cn2)c1,NYWSEKPLXDMWKT-UHFFFAOYSA-N,2,1,0.333,42,174,428.459,4.372,6,0.411,0.75,1.0,0.16347405935165513,0.14640017819203618,0.5913062846960455,0.5879737509423617,0.37228856829552465
EOS-2-29969,c1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)cc1,JNONLDQIQQZUJC-UHFFFAOYSA-N,2,1,0.382,93,553,428.459,4.372,6,0.411,0.81,1.0,0.18579946542389145,0.15027242820917003,0.5187872661229525,0.5398276334726887,0.34867169830717565
EOS-2-29970,c1cncc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)c1,IMYWSDWPLVTFJP-UHFFFAOYSA-N,2,1,0.309,42,174,428.459,4.372,6,0.411,0.72,1.0,0.10640977314783086,0.1021691453635803,0.5319974641902543,0.5564131999177575,0.3242473956548557
EOS-2-29971,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)nc5)n34)cc2)nc1,ZFJAXXSCAQORPJ-UHFFFAOYSA-N,2,1,0.324,42,57,428.459,4.372,6,0.411,0.78,1.0,0.1662754437667055,0.14640874511685287,0.5187958330477692,0.5262147899390035,0.3394237029675828
EOS-2-29972,c1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cc1,RQLYWCWUQPHREA-UHFFFAOYSA-N,2,1,0.433,69,553,428.459,4.372,6,0.411,0.84,1.0,0.17705263518607361,0.15434171749708725,0.46642622164347886,0.46903913371256256,0.3167149270098006
EOS-2-29973,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccnnc6)c5)n34)cn2)nc1,UFMFHZRDFOJMHQ-UHFFFAOYSA-N,2,1,0.276,32,20,428.459,4.372,6,0.411,0.59,1.0,0.14137139332465218,0.12513707079706668,0.5944332122541293,0.6092882598862313,0.36755748406551986
EOS-2-29974,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)cc2)cc1,AYTMTTNGYRSING-UHFFFAOYSA-N,2,1,0.379,41,696,428.459,4.372,6,0.411,0.84,1.0,0.1970135700089096,0.18262113631690768,0.5656140771708588,0.602897333972997,0.3870365293674183
EOS-2-29975,c1ccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccncc5)n34)nc2)nc1,ATGIFYNISZAYHZ-UHFFFAOYSA-N,2,1,0.321,32,20,428.459,4.372,6,0.411,0.72,0.998,0.11956000274141594,0.10217771228839696,0.46291378246864506,0.48713247892536493,0.29294599410595573
EOS-2-29976,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cc1,MDIYPGVKYYMMIW-UHFFFAOYSA-N,2,1,0.329,32,170,428.459,4.372,6,0.411,0.78,1.0,0.1278527859639504,0.11808649167294907,0.5785329997943938,0.6000702487834967,0.3561356315536975
EOS-2-29977,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)cc1,AMOZRLKFNXYNAG-UHFFFAOYSA-N,2,1,0.364,32,327,428.459,4.372,6,0.411,0.78,0.999,0.1222328832842163,0.12857240764855046,0.5218113905832362,0.5398362003975054,0.3281132204783771
EOS-2-29978,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)c1,SUEDOJMSPCNYEN-UHFFFAOYSA-N,2,1,0.314,42,170,428.459,4.372,6,0.411,0.82,1.0,0.11707559454458227,0.1317593036803509,0.6681430333767391,0.6704304023027894,0.39685208347611545
EOS-2-29979,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)c1,QZSFMDVGTDGKHJ-UHFFFAOYSA-N,2,1,0.312,42,171,428.459,4.372,6,0.411,0.78,1.0,0.14137996024946886,0.13536597902816805,0.6602614625454047,0.6617949420875883,0.39970058597765745
EOS-2-29980,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nc5)n34)nc2)cc1,IBWMXJWYDFOEOE-UHFFFAOYSA-N,2,1,0.319,32,327,428.459,4.372,6,0.411,0.8,0.999,0.08919882119114522,0.09269412651634569,0.5151720238503187,0.54982523473374,0.3117225515728874
EOS-2-29981,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)nc1,IEVBEBHQPDTRIN-UHFFFAOYSA-N,2,1,0.314,69,645,428.459,4.372,6,0.411,0.78,1.0,0.13869851278185183,0.1502809951339867,0.6335412240422178,0.6240576382701666,0.38664459255705574
EOS-2-29982,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)cn2)cn1,DCALOYLGKXIVHM-UHFFFAOYSA-N,2,1,0.476,65,981,428.456,2.612,5,0.39,0.77,1.0,0.39963847577273665,0.23023610444794737,0.24293228702624906,0.13023439106298404,0.25076031457747927
EOS-2-29983,COc1ccccc1CCOc1cncc2nnc(-c3cc(-c4cncn4C)ncn3)n12,VPMAWXQYHIQUQI-UHFFFAOYSA-N,2,1,0.47,31,481,428.456,2.612,5,0.39,0.67,0.909,0.30284079226920707,0.03577547803440477,0.23225789870468097,0.13683092317181825,0.17692627304502775
EOS-2-29984,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cc[nH]c(=O)c5)n34)c2)nn1C,QPBUSEWXCLCVTQ-UHFFFAOYSA-N,2,1,0.467,87,142,428.456,2.205,5,0.441,0.62,1.0,0.262584812555685,0.06532280172709204,0.2247961071893633,0.15393050510588718,0.17665855664450686
EOS-2-29985,COc1cc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)ccc1-c1nc[nH]n1,QKMIPCIZIDDJIY-UHFFFAOYSA-N,2,1,0.484,15,771,428.456,2.91,5,0.421,0.59,1.0,0.5314063463779042,0.30714138852717426,0.21771126036597901,0.11713556301829896,0.2933486395723391
EOS-2-29986,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,FYWCSEVDCUVTOB-UHFFFAOYSA-N,2,1,0.59,15,771,428.456,2.612,5,0.39,0.78,1.0,0.38198204372558425,0.09900795010622987,0.24294085395106574,0.14883318483996985,0.21819100815571243
EOS-2-29987,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nc1CO,NGOSCEUBNVYWSG-UHFFFAOYSA-N,2,1,0.632,87,73,428.456,2.096,5,0.419,0.75,1.0,0.2895020903296553,0.14275923514495237,0.07440374203275991,0.07697381947776026,0.14590972174628197
EOS-2-29988,COc1cc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)ncc1-c1cccnc1,FIGDSDDGSLZLOB-UHFFFAOYSA-N,2,1,0.44,65,840,428.456,2.612,5,0.39,0.69,1.0,0.25696490987595094,0.09602666027002947,0.2429494208758824,0.1488417517647865,0.18619568569666234
EOS-2-29989,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1ccnn1C,QNUPWZJLZIPARG-UHFFFAOYSA-N,2,1,0.536,15,361,428.456,2.612,5,0.39,0.68,1.0,0.38882701665410185,0.12858097457336715,0.30837502570077446,0.18110479062435747,0.2517219518881502
EOS-2-29990,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(OC)n4)n23)nc1,OTQLCCTXLKRQSN-UHFFFAOYSA-N,2,1,0.379,49,122,428.456,3.052,5,0.389,0.69,0.983,0.29772633815365634,0.14276780206976902,0.2005774107326434,0.09516140086354602,0.18405823795490367
EOS-2-29991,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncn(C)n5)cc4)n23)c1,WSMMVXGJGGXRNP-UHFFFAOYSA-N,2,1,0.561,15,320,428.456,2.612,5,0.39,0.69,1.0,0.49320642862038244,0.3124014803646083,0.24649612774998286,0.13920396134603522,0.2978269995202522
EOS-2-29992,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(OC)c5)n34)cn2)cn1,IOTYDKDEAOPBML-UHFFFAOYSA-N,2,1,0.415,92,860,428.456,3.052,5,0.389,0.7,1.0,0.25441196628058393,0.20044033993557672,0.2643067644438352,0.12820402988143376,0.21184077513535743
EOS-2-29993,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nncn1C,ZSLQDBIJEVKBGR-UHFFFAOYSA-N,2,1,0.56,15,771,428.456,2.612,5,0.39,0.68,1.0,0.4081368651908711,0.12514563772188336,0.2177198272907957,0.1368394900966349,0.22196045507504628
EOS-2-29994,COc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncn(C)n5)cc4)n23)nc1,GNTTWZOYTRPPLO-UHFFFAOYSA-N,2,1,0.63,15,320,428.456,2.612,5,0.39,0.69,1.0,0.5264717976835035,0.3941813446645192,0.19697073538482626,0.10551024604208073,0.3057835309437324
EOS-2-29995,COc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ccn(C)n1,AERIOWACTHRXHJ-UHFFFAOYSA-N,2,1,0.465,49,501,428.456,2.612,5,0.39,0.62,1.0,0.3452470701117127,0.09270269344116236,0.167449112466589,0.08751970392707834,0.1732296449866356
EOS-2-29996,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ncnn1C,UAZSNOWHXNHACQ-UHFFFAOYSA-N,2,1,0.605,15,771,428.456,2.612,5,0.39,0.72,1.0,0.4289716263450072,0.21981015694606265,0.15789699129600437,0.09129771777122885,0.22449412308957578
EOS-2-29997,COc1cc(-c2nnc3cncc(Oc4nc(C)cc(C)n4)n23)ccc1-c1ccnn1C,VEYUGLAOPBUCTR-UHFFFAOYSA-N,2,1,0.382,15,248,428.456,3.4,5,0.419,0.79,1.0,0.3427712288396957,0.115045233363032,0.2214721403604962,0.08393016242889452,0.1908046912480296
EOS-2-29998,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(CO)nc4)n23)c1,COOABGOQSRHLPS-UHFFFAOYSA-N,2,1,0.468,7,211,428.456,2.536,5,0.42,0.68,0.998,0.2384517853471318,0.05738126242204098,0.297683503529573,0.1863734493866082,0.1949725001713385
EOS-2-29999,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,NAASFJDEFKAWJK-UHFFFAOYSA-N,2,1,0.518,65,456,428.456,2.612,5,0.39,0.72,1.0,0.38663388390103487,0.11505380028784867,0.18352923034747448,0.0992392570762799,0.19611404290315948
EOS-2-30000,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)n1,NXFURKPQFQOLHH-UHFFFAOYSA-N,2,1,0.482,15,320,428.456,2.612,5,0.39,0.74,1.0,0.5057741073264341,0.3561784661777808,0.1771040367349736,0.10134672058118017,0.2851008327050922
EOS-2-30001,COc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1ccnn1C,DOCZQLVPECJCKC-UHFFFAOYSA-N,2,1,0.477,15,771,428.456,2.612,5,0.39,0.73,1.0,0.3634346514974985,0.1353745459529847,0.1802994996915907,0.09717462819546295,0.19407083133438421
EOS-2-30002,COc1cncc(CCOc2cncc3nnc(-c4cccc(-c5ccn(C)n5)c4)n23)n1,BOZNSWYORUMGPT-UHFFFAOYSA-N,2,1,0.477,15,846,428.456,2.612,5,0.39,0.72,1.0,0.3866424508258515,0.2556884380782674,0.1642793502844219,0.09718319512027962,0.2259483585772051
EOS-2-30003,COc1nc(-c2nnc3cncc(OCc4cccc(C)n4)n23)ccc1-c1ccnn1C,GIBWSYBGHNVBCY-UHFFFAOYSA-N,2,1,0.421,49,122,428.456,2.878,5,0.407,0.69,1.0,0.18307518333219108,0.07968953464464396,0.15465869371530394,0.06411486532794188,0.12038456925502021
EOS-2-30004,Cc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5noc(C)n5)c4)n23)c(C)n1,XAKXXEZEAIIMJH-UHFFFAOYSA-N,2,1,0.556,75,359,428.456,3.178,5,0.402,0.73,1.0,0.3954321156877527,0.2198187238708793,0.07228771160304297,0.0407442944280721,0.18207071139743677
EOS-2-30005,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)nc4)n23)n1,OQXYBXQNRNDXRU-UHFFFAOYSA-N,2,1,0.457,58,579,428.456,2.612,5,0.39,0.67,1.0,0.4126602014940717,0.219827290795696,0.17711260365979029,0.09130628469604551,0.22522659516140087
EOS-2-30006,COc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccnn1C,UXRKSFIYOOSJPX-UHFFFAOYSA-N,2,1,0.522,49,501,428.456,2.612,5,0.39,0.59,1.0,0.3427797957645124,0.10893701596874786,0.11332328147488177,0.058066616407374406,0.15577667740387913
EOS-2-30007,COc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1nccn1C,UNWYATIOMLAECJ-UHFFFAOYSA-N,2,1,0.516,49,551,428.456,2.612,5,0.39,0.64,1.0,0.4331522856555411,0.12143615927626619,0.0764855047632102,0.039493523404838596,0.16764186827496402
EOS-2-30008,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cn(C)cn1,KYHTWAAOMGRCTG-UHFFFAOYSA-N,2,1,0.529,15,361,428.456,2.612,5,0.39,0.66,1.0,0.47361387156466317,0.25569700500308407,0.31217017339455827,0.1837091357686245,0.3062975464327325
EOS-2-30009,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cnn(C)c1,SRYNPIGTOJFTJR-UHFFFAOYSA-N,2,1,0.494,20,658,428.456,2.612,5,0.39,0.73,1.0,0.3680864916729491,0.20496367623877731,0.29032451511205537,0.1672092385717223,0.257645980398876
EOS-2-30010,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cnn(C)c1,SMMKXQCERIAOBC-UHFFFAOYSA-N,2,1,0.542,15,361,428.456,2.612,5,0.39,0.67,1.0,0.40173737235282025,0.21484990747721197,0.36423994243026525,0.21789116578712905,0.29967959701185665
EOS-2-30011,Cn1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(CO)cc5)n34)nn2)n1,DAWLQDVLIMVSTK-UHFFFAOYSA-N,2,1,0.506,72,482,428.456,2.096,5,0.419,0.69,1.0,0.5340021245973545,0.4038191350832705,0.21119183058049482,0.1645449249537386,0.32838950380371457
EOS-2-30012,COc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1c[nH]c(C)n1,OXZRDMJLHOVGAH-UHFFFAOYSA-N,2,1,0.456,49,501,428.456,2.91,5,0.421,0.53,1.0,0.3888355835789185,0.1285895414981838,0.15466726064012062,0.0804776917277774,0.18814251936125007
EOS-2-30013,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cnnn1C,HEDKHILJFPVABK-UHFFFAOYSA-N,2,1,0.598,15,638,428.456,2.612,5,0.39,0.66,1.0,0.3819906106504009,0.20988965800836132,0.2112003975053115,0.1302429579878007,0.2333309060379686
EOS-2-30014,COc1nc(-c2nnc3cncc(OCCc4nccn4C)n23)ccc1-c1ccccn1,MGSNUPFUBAWZSY-UHFFFAOYSA-N,2,1,0.467,49,501,428.456,2.612,5,0.39,0.69,0.999,0.34752587211294633,0.10894558289356453,0.06590535261462545,0.036015351929271466,0.13959803988760194
EOS-2-30015,COc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccn(C)n1,AJNREOHKNDAAAR-UHFFFAOYSA-N,2,1,0.448,49,501,428.456,2.612,5,0.39,0.59,1.0,0.3543280104173806,0.10218627921321362,0.14858474402028649,0.08048625865259407,0.1713963230758687
EOS-2-30016,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4cccc(-c5nncs5)c4)n23)s1,KTMNZETVKGIWKF-UHFFFAOYSA-N,2,1,0.349,3,598,471.546,5.548,6,0.335,0.65,1.0,0.10393393187581386,0.317438832156809,0.3604447947364814,0.47213179357137963,0.31348733808512097
EOS-2-30017,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4nnc(-c5ccccc5)s4)n23)s1,QAUACZJZPFVOGI-UHFFFAOYSA-N,2,1,0.338,30,641,471.546,5.548,6,0.335,0.7,0.99,0.0987338085120965,0.25065108628606675,0.1935268316085258,0.3356949489411281,0.2196516688369543
EOS-2-30018,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)s1,DETMDUWQYRZDGI-UHFFFAOYSA-N,2,1,0.347,32,20,471.546,5.548,6,0.335,0.73,0.979,0.14422417928860257,0.32689671715441027,0.36045336166129804,0.45011479679254335,0.32042226372421356
EOS-2-30019,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)s1,SMYHWCUQHDBUCF-UHFFFAOYSA-N,2,1,0.338,32,693,471.546,5.548,6,0.335,0.65,0.858,0.19984922212322664,0.38453498732095126,0.39420704543896923,0.4750702487834967,0.36341537591666095
EOS-2-30020,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cn5)n34)s2)s1,KFKCCGNLMHKLRS-UHFFFAOYSA-N,2,1,0.316,76,653,471.546,5.548,6,0.335,0.79,0.955,0.12786135288876704,0.3512096497841135,0.3869251593448016,0.4843739291343979,0.33759252278802
EOS-2-30021,N#Cc1ccc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)cc1F,BKWDCNQTBXDVCA-UHFFFAOYSA-N,2,1,0.541,1,347,428.452,4.505,5,0.409,0.79,1.0,0.8214138852717429,0.8446987869234459,0.7492718113905832,0.7426667123569324,0.7895127989856761
EOS-2-30022,CCc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(OC)cc5)n4)n23)cc1,YNXBZSOFZQDUEU-UHFFFAOYSA-N,2,1,0.524,89,230,428.452,3.991,5,0.384,0.73,1.0,0.5082756493729012,0.3655763827016654,0.3530601055445137,0.22070968405181277,0.3619054554177233
EOS-2-30023,N#Cc1ccc(-c2nnc3cncc(OCc4scnc4-c4cccc(F)c4)n23)cc1,BQUFFBJOGLDHFM-UHFFFAOYSA-N,2,1,0.554,1,230,428.452,4.505,5,0.409,0.78,1.0,0.9288431224727571,0.905275512302104,0.7794702213693373,0.8006990610650401,0.8535719793023097
EOS-2-30024,N#Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccsc5)n34)c2)ccc1F,SKJFVRNTCLJPTF-UHFFFAOYSA-N,2,1,0.427,97,160,428.452,4.505,5,0.409,0.71,1.0,0.7335515043519978,0.6486447124940031,0.8742975121650333,0.8576691110958811,0.7785407100267288
EOS-2-30025,CC(C)(O)c1ccccc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,LPBQCYICXAKAMJ-UHFFFAOYSA-N,2,1,0.518,43,909,428.452,3.648,5,0.436,0.77,1.0,0.7214635734356796,0.440168597080392,0.7770200808717703,0.5660766911109588,0.6261822356247002
EOS-2-30026,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)cn1,OUMSWHJHWAZTKU-UHFFFAOYSA-N,2,1,0.62,89,731,428.452,3.529,5,0.437,0.75,0.998,0.45213659104927695,0.2506596532108834,0.42325748749228975,0.2946251113700226,0.35516971078061815
EOS-2-30027,N#Cc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)s5)n34)c2)cn1,FUKVMCPTKWSCMZ-UHFFFAOYSA-N,2,1,0.548,1,31,428.452,4.505,5,0.409,0.69,1.0,0.7486635597285998,0.7664399287231856,0.8396700020560619,0.8138235898841751,0.7921492700980056
EOS-2-30028,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ccc2F)cn1,SSRRZZKYCSESOI-UHFFFAOYSA-N,2,1,0.529,97,214,428.452,4.505,5,0.409,0.72,1.0,0.9154701528339387,0.8855801521485848,0.8843722157494346,0.8593653622095813,0.8861969707353848
EOS-2-30029,N#Cc1cc(F)cc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ccn2)c1,YHERAMCKMKNXEU-UHFFFAOYSA-N,2,1,0.5,97,183,428.452,4.505,5,0.409,0.78,1.0,0.7974350627098896,0.744585703515866,0.8755568501130834,0.8593739291343979,0.8192378863683093
EOS-2-30030,COc1cc(-c2nnc3cncc(OCc4nc(C)ns4)n23)ccc1-c1nc(=O)ss1,XHKPADOBLDBKSR-UHFFFAOYSA-N,2,1,0.438,4,248,471.549,3.084,5,0.344,0.58,1.0,0.347534439037763,0.2712202727708862,0.01645706257281886,0.0077445000342676994,0.16073906860393394
EOS-2-30031,c1cc(COc2cncc3nnc(-c4ccc(-c5cnc(CN6CCCC6)nc5)nc4)n23)sn1,GAKPALBYBWUKAR-UHFFFAOYSA-N,2,1,0.417,65,282,471.55,3.275,6,0.353,0.68,1.0,0.1334641217188678,0.03578404495922144,0.0024415735727503257,0.008301350147351106,0.04499777259954767
EOS-2-30033,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cc1F,KOUUXVLNFZRURA-UHFFFAOYSA-N,2,1,0.803,79,650,428.442,5.358,5,0.365,0.77,1.0,0.9632564594613118,0.9700243300664794,0.95022616681516,0.9525906380645603,0.9590243986018778
EOS-2-30035,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)c(F)c5)cc4)n23)cc1,GNCDMPOSEQJZRU-UHFFFAOYSA-N,2,1,0.667,57,23,428.442,5.624,5,0.364,0.8,1.0,0.985247755465698,0.9737937769858132,0.9736567061887464,0.9673600164484957,0.9750145637721883
EOS-2-30037,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2)cc1,VSOUKXRFXZVQNH-UHFFFAOYSA-N,2,1,0.809,83,497,428.442,5.358,5,0.365,0.84,1.0,0.9921184291686657,0.9947313412377493,0.9534387636214104,0.9588616270303612,0.9747875402645466
EOS-2-30038,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccc(F)c5)c4)n23)cc1,DYJGULCZNCEHCK-UHFFFAOYSA-N,2,1,0.623,57,23,428.442,5.624,5,0.364,0.81,1.0,0.9759954766636968,0.9607806181892947,0.9690219998629293,0.9659036392296622,0.9679254334863957
EOS-2-30039,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(F)c1,FYWWKARDSPWXGV-UHFFFAOYSA-N,2,1,0.697,79,650,428.442,5.358,5,0.365,0.79,1.0,0.9803903090946474,0.9867212665341649,0.9478445617161264,0.9519823864025769,0.966734630936879
EOS-2-30041,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)cc(F)c5)cc4)n23)cc1,SXCQDTDFASXBFY-UHFFFAOYSA-N,2,1,0.63,57,326,428.442,5.624,5,0.364,0.83,1.0,0.9760040435885134,0.9560859433897608,0.9690305667877459,0.9637704749503119,0.966222757179083
EOS-2-30043,Fc1cccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)c1,HPJCAUXXTXCMOG-UHFFFAOYSA-N,2,1,0.733,79,650,428.442,5.358,5,0.365,0.84,1.0,0.9126345007196217,0.9588444931807278,0.9467051607155096,0.955203550133644,0.9433469261873758
EOS-2-30044,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5conc5-c5ccsc5)n34)nc2)n1,XYMNJNPTILMZQX-UHFFFAOYSA-N,2,1,0.292,86,968,428.441,2.76,6,0.416,0.67,0.999,0.08228531286409431,0.06901514632307587,0.045336166129806045,0.06256425193612501,0.0648002193132753
EOS-2-30045,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5nncs5)n34)ncn2)cn1,CAZGSPVJAXQFEW-UHFFFAOYSA-N,2,1,0.394,31,194,428.441,1.988,5,0.394,0.62,1.0,0.4832859296826811,0.3895723391131519,0.07441230895757658,0.087528270851895,0.25869971215132614
EOS-2-30046,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)s2)no1,PEAKIVQAUUYCEV-UHFFFAOYSA-N,2,1,0.3,38,865,428.437,3.928,6,0.411,0.69,1.0,0.19702213693372628,0.18695600027414158,0.1222071825097663,0.12821259680625044,0.15859947913097114
EOS-2-30047,Cc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)n1,FNQBYRCTNGOGKQ-UHFFFAOYSA-N,2,1,0.468,87,173,428.431,3.107,5,0.38,0.63,1.0,0.6967479953395929,0.6200911520800494,0.28688061133575493,0.2498971969022,0.46340423891439925
EOS-2-30048,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)nc5F)c4)n23)n1,OMQUKTISPIVBTE-UHFFFAOYSA-N,2,1,0.506,75,43,428.431,3.373,5,0.393,0.71,1.0,0.5340106915221712,0.5111198684120348,0.3568038516893976,0.2562538551161675,0.4145470666849428
EOS-2-30049,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)n1,ZXRLCDILRBQWDK-UHFFFAOYSA-N,2,1,0.464,87,858,428.431,3.107,5,0.406,0.65,1.0,0.6848999383181413,0.620099719004866,0.3269395517784936,0.30425433486395725,0.48404838599136457
EOS-2-30050,CCc1cc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)ncc1F,MTOSEXUZRFOIKM-UHFFFAOYSA-N,2,1,0.435,7,85,428.431,3.319,5,0.406,0.6,1.0,0.6759132341854568,0.6878726612295251,0.41929100130217256,0.33570351586594477,0.5296951031457747
EOS-2-30051,Cn1nnnc1-c1ccc(-c2nnc3cncc(OC4CCc5ccccc54)n23)c(F)c1,GYVVDKUAXMMEGO-UHFFFAOYSA-N,2,1,0.473,36,402,428.431,3.187,6,0.434,0.65,1.0,0.6110873140977314,0.6583681721609211,0.43430025358097457,0.49936604756356656,0.5507804468507984
EOS-2-30052,Cc1cncc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)n1,QOZIWUMTQOTCNZ-UHFFFAOYSA-N,2,1,0.419,2,858,428.431,3.373,5,0.42,0.64,1.0,0.657057432663971,0.557638270166541,0.4836885751490645,0.37773284901651705,0.5190292817490234
EOS-2-30053,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)n1,MFKCYTRFNYOSHG-UHFFFAOYSA-N,2,1,0.521,65,981,428.431,3.107,5,0.38,0.62,1.0,0.8364745390994449,0.8413319854704955,0.3942156123637859,0.3289784798848605,0.6002501542046467
EOS-2-30054,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)n1,RFHYCDHWXDPJSH-UHFFFAOYSA-N,2,1,0.511,65,904,428.431,3.107,5,0.406,0.66,1.0,0.8314971557809608,0.8308889041189774,0.4013775615105202,0.34841683229387976,0.6030451134260846
EOS-2-30055,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(F)cc4OC4CC4)n23)c1,ADLYEGYSWYOVJJ-UHFFFAOYSA-N,2,1,0.317,82,985,428.431,3.329,6,0.424,0.77,1.0,0.3079124117606744,0.3655849496264821,0.29769207045438967,0.4218867795216229,0.34826905284079224
EOS-2-30056,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)c(F)n4)n23)n1,ZXOAHIFNMZTZEX-UHFFFAOYSA-N,2,1,0.429,58,814,428.431,3.107,5,0.38,0.66,0.989,0.6698050167911727,0.6105732986087314,0.29393119045987254,0.24990576382701665,0.4560538174216983
EOS-2-30057,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)n1,WIEMWKPXYYTJOQ-UHFFFAOYSA-N,2,1,0.495,65,858,428.431,3.107,5,0.406,0.65,1.0,0.7394626824754986,0.6682115687752724,0.4559660064423275,0.39950140497566994,0.5657854156671921
EOS-2-30058,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,KRDHPNMPTMVQQX-UHFFFAOYSA-N,2,1,0.511,2,419,428.431,3.107,5,0.406,0.68,1.0,0.7663028579261189,0.7351278185182647,0.5114968131039682,0.4312075937221575,0.6110337708176273
EOS-2-30059,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)n1,UQUYNNUIGCZIPN-UHFFFAOYSA-N,2,1,0.49,65,858,428.431,3.107,5,0.38,0.63,1.0,0.7601860736070181,0.6682201357000891,0.4451802480981427,0.3837125625385512,0.5643247549859502
EOS-2-30060,Cc1ncnc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)n1,BIXYWTJQVGLPJB-UHFFFAOYSA-N,2,1,0.545,15,921,428.431,3.107,5,0.406,0.65,1.0,0.8267682132821602,0.7351363854430814,0.39422417928860254,0.3357120827907614,0.5729602152011514
EOS-2-30061,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)cn1,MKIYBYYMGQNZHW-UHFFFAOYSA-N,2,1,0.427,18,840,428.431,3.107,5,0.406,0.69,1.0,0.5940391337125626,0.5434000411212391,0.3231958056336098,0.28580117880885475,0.43660903981906657
EOS-2-30062,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)ccn1,ZLJFVDWETPBOCD-UHFFFAOYSA-N,2,1,0.429,18,194,428.431,3.107,5,0.406,0.59,0.975,0.6167329175519156,0.507170516071551,0.36788088547734904,0.3289870468096772,0.4551928414776232
EOS-2-30063,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)ccn2)c1,FFBLNBWKXAFMEQ-UHFFFAOYSA-N,2,1,0.458,75,132,428.431,3.107,5,0.406,0.64,1.0,0.6698135837159893,0.6056815845384141,0.3378623809197451,0.3105338907545747,0.4809728599821808
EOS-2-30064,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,ZUFKDMSUIRSAAA-UHFFFAOYSA-N,2,1,0.457,18,840,428.431,3.107,5,0.406,0.66,1.0,0.6759218011102734,0.5818226989239943,0.45246213419231035,0.3807826742512508,0.5227473271194572
EOS-2-30065,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ncn2)cn1,FEFXYNTVLRIYIZ-UHFFFAOYSA-N,2,1,0.5,44,481,428.431,3.107,5,0.406,0.69,1.0,0.669822150640806,0.5296758275649373,0.3678894524021657,0.3484253992186965,0.4789532074566513
EOS-2-30066,Cc1cccc(COc2cncc3nnc(-c4cc(-c5cncc(F)c5)nc(C)n4)n23)n1,SVUVIXNABABDPF-UHFFFAOYSA-N,2,1,0.441,46,500,428.431,3.373,5,0.42,0.68,1.0,0.4859159756013981,0.43596223699540815,0.312178740319375,0.2622678363374683,0.3740811973134124
EOS-2-30067,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,PHWZGMGQCQMATE-UHFFFAOYSA-N,2,1,0.49,65,858,428.431,3.107,5,0.406,0.69,1.0,0.7363871564663148,0.692670139126859,0.4664347885682955,0.3995099719004866,0.5737505140154889
EOS-2-30068,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)cn1,LSXVNLMPDMDSIZ-UHFFFAOYSA-N,2,1,0.516,75,454,428.431,3.107,5,0.406,0.66,1.0,0.7889281063669386,0.7211637310670962,0.38317284627510106,0.3289956137344939,0.5555650743609074
EOS-2-30069,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnccc5F)n34)cc(C)n2)cn1,MMLAWSSGELLCOG-UHFFFAOYSA-N,2,1,0.473,7,99,428.431,3.373,5,0.42,0.66,1.0,0.6481649647042698,0.5387567678706051,0.452470701117127,0.3615670618874649,0.5002398738948667
EOS-2-30070,N=c1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2F)c[nH]1,XAWYWHXFBKWMSE-UHFFFAOYSA-N,2,1,0.581,35,393,428.431,2.816,5,0.429,0.73,1.0,0.7889366732917552,0.6828438763621411,0.6249485984511,0.5498338016585567,0.6616407374408881
EOS-2-30071,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)n1,WBBBIDPZSKFZMS-UHFFFAOYSA-N,2,1,0.576,84,73,428.431,3.107,5,0.406,0.69,1.0,0.9000753889383867,0.8748800630525666,0.3344955794667946,0.31361798368857513,0.6057672537865808
EOS-2-30072,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)cn1,VDMYRIOEPADSBO-UHFFFAOYSA-N,2,1,0.558,75,454,428.431,3.107,5,0.406,0.66,1.0,0.8057449797820574,0.7305188129668974,0.46644335549311217,0.38372112946336784,0.5966070694263588
EOS-2-30073,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)nn1,OLGFVKNRHWYFKR-UHFFFAOYSA-N,2,1,0.474,58,954,428.431,3.107,5,0.38,0.63,1.0,0.7183109451031457,0.7833339044616544,0.28317969981495444,0.2530583921595504,0.5094707353848262
EOS-2-30074,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccn2)n1,WKCAYYRRKRHTFI-UHFFFAOYSA-N,2,1,0.505,75,530,428.431,3.107,5,0.406,0.65,1.0,0.8030035638407237,0.6583767390857378,0.3831814131999178,0.33877904187512853,0.5458351895003769
EOS-2-30075,Cc1ccnc(COc2cncc3nnc(-c4ccc(F)c(-c5cnc(C)nc5)c4)n23)n1,FENOJVAVPSSLGY-UHFFFAOYSA-N,2,1,0.471,51,969,428.431,3.373,5,0.42,0.77,1.0,0.7719655952299362,0.8041772325406072,0.4084709752587211,0.3258686861764101,0.5776206223014188
EOS-2-30076,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)cnn4)n23)n1,OOKUVBGFFKWFAC-UHFFFAOYSA-N,2,1,0.418,87,207,428.431,3.107,5,0.38,0.76,0.998,0.5238931533136865,0.5205691864848194,0.35681241861421426,0.32900418065931053,0.4325697347680077
EOS-2-30077,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ncn2)ccn1,GTZYRYILPOMNJL-UHFFFAOYSA-N,2,1,0.505,18,238,428.431,3.129,5,0.389,0.6,0.773,0.5495853608388733,0.3754197793160167,0.2792988828730039,0.24700157631416628,0.362826399835515
EOS-2-30078,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)n1,LHZNDACWEACNPS-UHFFFAOYSA-N,2,1,0.479,87,858,428.431,3.107,5,0.406,0.61,1.0,0.7119028853402782,0.6340980741553012,0.37182167089301627,0.3418888355835789,0.5149278664930437
EOS-2-30079,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)nn1,FQEGEGCMLRCGIB-UHFFFAOYSA-N,2,1,0.527,58,981,428.431,3.107,5,0.38,0.68,1.0,0.8002792817490234,0.8378966486190117,0.3678980193269824,0.3167106435473922,0.5806961483106025
EOS-2-30080,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)n1,VMFQFBDSOVTHTR-UHFFFAOYSA-N,2,1,0.527,65,981,428.431,3.107,5,0.406,0.62,1.0,0.8527259954766637,0.8235813172503598,0.3757367555342334,0.332422383661161,0.5961166129806044
EOS-2-30081,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nc2F)n1,ZNLCKFOVNLTDOD-UHFFFAOYSA-N,2,1,0.441,18,773,428.431,3.107,5,0.38,0.59,1.0,0.7335600712768144,0.6387584812555686,0.31591391953944215,0.2798814337605373,0.49202847645809056
EOS-2-30082,Fc1cc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1Nc1cccnc1,VEOAABCDRWIXBW-UHFFFAOYSA-N,2,1,0.528,35,202,428.431,3.481,5,0.42,0.72,1.0,0.6759303680350901,0.46655472551572885,0.5588719073401411,0.4810842300047975,0.5456103077239394
EOS-2-30083,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)cn1,RWBQCCSKYNFAHU-UHFFFAOYSA-N,2,1,0.556,65,981,428.431,3.107,5,0.406,0.69,1.0,0.8339301624288945,0.8413405523953121,0.38318998012473443,0.3290127475841272,0.5968683606332671
EOS-2-30084,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)cn1,DCVIVVMJLWQGCL-UHFFFAOYSA-N,2,1,0.42,18,720,428.431,3.107,5,0.406,0.63,1.0,0.6698307175656226,0.5483431567404564,0.3831985470495511,0.3357206497155781,0.48427326776780205
EOS-2-30085,Cc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cnccn1,JYYJZLHFNDPWHH-UHFFFAOYSA-N,2,1,0.451,18,578,428.431,3.107,5,0.38,0.65,1.0,0.7889452402165719,0.6682287026249057,0.36046192858611475,0.3105424576793914,0.532044582276746
EOS-2-30086,Cc1ccc(-c2nnc3cncc(OCc4ccnc(CF)n4)n23)cc1-c1cnccn1,TUQQLSKAHDAACZ-UHFFFAOYSA-N,2,1,0.463,7,540,428.431,3.395,5,0.405,0.64,1.0,0.5711483106024261,0.5205777534096361,0.3083835926255911,0.24991433075183334,0.41250599684737166
EOS-2-30087,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)nn1,UAINCJRSYKPUHI-UHFFFAOYSA-N,2,1,0.545,75,241,428.431,3.107,5,0.406,0.65,1.0,0.7151326159961621,0.6387670481803852,0.39801076005756975,0.3516636967993969,0.5258935302583785
EOS-2-30088,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2)cn1,GUOXDETYIMNAEU-UHFFFAOYSA-N,2,1,0.478,54,411,428.431,3.107,5,0.406,0.69,0.995,0.6510862860667535,0.6486532794188198,0.32320437255842643,0.307355561647591,0.48257487492289763
EOS-2-30089,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccn2)cn1,BCFOEVXPNJIUFV-UHFFFAOYSA-N,2,1,0.517,65,454,428.431,3.107,5,0.406,0.69,1.0,0.8339387293537112,0.7445942704406826,0.43800116510177506,0.3679665547255157,0.5961251799054211
EOS-2-30090,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)cn1,OJBIZLYWIHZIEN-UHFFFAOYSA-N,2,1,0.5,87,282,428.431,3.107,5,0.406,0.69,1.0,0.7516020149407169,0.8344955794667946,0.32694811870331025,0.28293125899527105,0.5489942430265232
EOS-2-30091,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)cn1,LBGBVQWUWJCJGW-UHFFFAOYSA-N,2,1,0.512,65,282,428.431,3.107,5,0.38,0.72,1.0,0.8240696319649099,0.8661846343636488,0.4343088205057912,0.3451442670139127,0.6174268384620656
EOS-2-30092,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ccc2F)cn1,HKNGIDAEVDBCNS-UHFFFAOYSA-N,2,1,0.56,65,361,428.431,3.107,5,0.406,0.69,1.0,0.9334092934000411,0.9265814543211569,0.5115053800287849,0.45012336371736,0.7054048728668357
EOS-2-30093,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)cn1,BXNYBHCPWVZRJQ-UHFFFAOYSA-N,2,1,0.528,75,530,428.431,3.107,5,0.406,0.62,1.0,0.6907939825920087,0.6632341854567885,0.33787094784456173,0.30090466726064014,0.4982009457884997
EOS-2-30094,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4cccnn4)n23)n1,AMRNYARSQICRBH-UHFFFAOYSA-N,2,1,0.446,44,531,428.431,3.107,5,0.406,0.76,1.0,0.6394267013912686,0.5765454732369268,0.24650469467479955,0.27692584469878695,0.43485067850044545
EOS-2-30095,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)nc1,ZQUVLPDIRKMZNF-UHFFFAOYSA-N,2,1,0.516,75,420,428.431,3.107,5,0.406,0.61,1.0,0.7719741621547529,0.7027705434857103,0.2793074497978206,0.2589438695086012,0.5032490062367212
EOS-2-30096,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)n1,HYBOCVNGCGXDAG-UHFFFAOYSA-N,2,1,0.545,75,530,428.431,3.107,5,0.406,0.66,1.0,0.7746299088479199,0.6435216914536358,0.4084795421835378,0.3546706874100473,0.5453254574737852
EOS-2-30097,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)c(C)n1,CVSUVKCQNVQTPL-UHFFFAOYSA-N,2,1,0.457,55,879,428.431,3.373,5,0.42,0.72,1.0,0.7833167706120211,0.6828524432869577,0.4084881091083545,0.3196490987595093,0.5485766054417107
EOS-2-30098,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnn2)cn1,MAFNIHRUVOGBGO-UHFFFAOYSA-N,2,1,0.516,87,778,428.431,3.107,5,0.406,0.5,1.0,0.7601946405318347,0.735144952367898,0.487389486669865,0.43121616064697416,0.603486310054143
EOS-2-30099,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)n1,YABTTZLOLGVTNT-UHFFFAOYSA-N,2,1,0.495,87,304,428.431,3.107,5,0.406,0.64,1.0,0.7663114248509355,0.7954732369268728,0.3232129394832431,0.29166095538345554,0.5441646391611268
EOS-2-30100,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)cn1,MJMXPUCTOAOSSF-UHFFFAOYSA-N,2,1,0.43,18,720,428.431,3.107,5,0.38,0.64,1.0,0.6363426084572682,0.5483517236652731,0.39050613391816874,0.3227331916935097,0.47448341443355496
EOS-2-30101,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncn5)n34)ccn2)ccn1,CLJDMJXEDQYUCU-UHFFFAOYSA-N,2,1,0.516,75,496,428.431,3.129,5,0.389,0.66,1.0,0.6510948529915701,0.49804674114179975,0.3604704955109314,0.30736412857240764,0.4542440545541772
EOS-2-30102,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)cn2)cn1,XNTDYQCBBVQWAB-UHFFFAOYSA-N,2,1,0.5,87,132,428.431,3.107,5,0.406,0.62,1.0,0.7363957233911316,0.7954818038516894,0.3269566856281269,0.28580974573367146,0.5361609896511549
EOS-2-30103,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)cn1,WPPZZQXXUSVMTR-UHFFFAOYSA-N,2,1,0.516,65,282,428.431,3.107,5,0.38,0.68,1.0,0.8639143992872319,0.8748886299773834,0.44518881502295937,0.35798608731409776,0.6354944829004181
EOS-2-30104,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)nc1,WZSPUXTZRHZQDF-UHFFFAOYSA-N,2,1,0.463,87,131,428.431,3.107,5,0.38,0.65,1.0,0.684908505242958,0.6435302583784525,0.2868891782605716,0.25626242204098415,0.4678975909807415
EOS-2-30105,COc1cc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)ccc1-c1cnccn1,SZWQOLLQFXGYAB-UHFFFAOYSA-N,2,1,0.638,97,383,428.427,3.975,5,0.404,0.8,1.0,0.9512199300938935,0.8345041463916113,0.7942053320540059,0.6992923720101433,0.8198054451374135
EOS-2-30106,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)cn1,UALHBPQWPYMPET-UHFFFAOYSA-N,2,1,0.473,97,160,428.427,3.459,5,0.442,0.76,1.0,0.5881279555890617,0.5342676992666713,0.7630388595709684,0.7213179357137962,0.6516881125351244
EOS-2-30107,COc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)n1,IYCVBNHKQOITPU-UHFFFAOYSA-N,2,1,0.517,1,22,428.427,3.975,5,0.404,0.77,1.0,0.8456497155780961,0.7875316976218216,0.665487286683572,0.5529521622918238,0.7129052155438285
EOS-2-30108,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(F)c5)nn4)n23)cc1,SKRWMTVROVCJKI-UHFFFAOYSA-N,2,1,0.523,1,347,428.427,3.459,5,0.442,0.78,1.0,0.8504814611746967,0.7745956411486533,0.7445086011925159,0.7185765197724625,0.7720405558220821
EOS-2-30109,COc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccccn4)n23)cc1F,WWPNQTDPQPIFNO-UHFFFAOYSA-N,2,1,0.654,1,850,428.427,3.975,5,0.404,0.69,0.991,0.7945822767459393,0.7664484956480022,0.6654958536083887,0.5594544582276746,0.6964952710575012
EOS-2-30110,OCc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnc5)n4)n23)cc1,GKQUCMZNDWGHDZ-UHFFFAOYSA-N,2,1,0.54,1,436,428.427,3.459,5,0.442,0.79,1.0,0.7690357069426359,0.7305273798917141,0.7420070591460489,0.6824240970461243,0.7309985607566308
EOS-2-30111,Oc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cccnc1,ALHZZNBNIGDKIZ-UHFFFAOYSA-N,2,1,0.523,35,429,428.427,3.715,5,0.44,0.69,1.0,0.9111781235007882,0.8235898841751764,0.7239736824069632,0.6909139195394421,0.7874139024055925
EOS-2-30112,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)nc4)n23)cc1,OZAOBVMJUVCKHV-UHFFFAOYSA-N,2,1,0.565,1,230,428.427,3.459,5,0.414,0.83,1.0,0.9167637584812556,0.6975104516482763,0.8241038996641765,0.745074018230416,0.7958630320060311
EOS-2-30113,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)nc4)n23)cn1,OPZVSGQVZGRSMR-UHFFFAOYSA-N,2,1,0.536,11,881,428.427,4.134,5,0.36,0.77,1.0,0.8267767802069769,0.8272822287711603,0.6489531217874032,0.5849924611061613,0.7220011479679255
EOS-2-30114,COc1ccncc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cn1,HDVJGYCGDAOAKW-UHFFFAOYSA-N,2,1,0.598,97,232,428.427,3.975,5,0.404,0.76,1.0,0.960001028030978,0.8607532040298814,0.7678534713179357,0.6646734288259887,0.8133202830511959
EOS-2-30115,COc1cccnc1COc1cncc2nnc(-c3ccc(-c4cccc(F)n4)cc3)n12,FBLOUSFNQMNITH-UHFFFAOYSA-N,2,1,0.539,1,61,428.427,3.975,5,0.378,0.56,1.0,0.8682235624700158,0.7875402645466384,0.640009252278802,0.5334966760331711,0.7073174388321568
EOS-2-30116,COc1cccc(F)c1COc1cncc2nnc(-c3cncc(-c4ccccn4)c3)n12,MKHUQHNPZHICJF-UHFFFAOYSA-N,2,1,0.447,97,109,428.427,3.975,5,0.404,0.77,1.0,0.8084863957233911,0.6486618463436364,0.7344510314577479,0.6417569049414023,0.7083390446165444
EOS-2-30117,OCc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccc(F)c5)n4)n23)cc1,SBMVJWKVURBKQE-UHFFFAOYSA-N,2,1,0.505,1,709,428.427,3.459,5,0.442,0.84,1.0,0.8787009115208005,0.8157511479679255,0.6981786717839764,0.670438969227606,0.7657674251250771
EOS-2-30118,COc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)cc5)n4)n23)cc1,NGZKQIXDFFHIAG-UHFFFAOYSA-N,2,1,0.56,1,929,428.427,3.975,5,0.404,0.83,1.0,0.8766705503392502,0.8379052155438284,0.7215835103831129,0.6446096909053526,0.770192241792886
EOS-2-30119,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)cn2)cn1,MQIRQHYCIGRDFA-UHFFFAOYSA-N,2,1,0.565,97,801,428.427,3.459,5,0.442,0.79,1.0,0.7862809265985882,0.7446028373654993,0.777028647796587,0.7237766431361798,0.7579222637242136
EOS-2-30120,COc1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)c(OC)n1,VANSKZQDKFFQHU-UHFFFAOYSA-N,2,1,0.374,96,558,428.427,4.072,5,0.417,0.83,1.0,0.49562230141868274,0.4838256459461312,0.5880337194160784,0.5063309574395175,0.5184531560551024
EOS-2-30121,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)cn1,NLIWNTAPOSOYFV-UHFFFAOYSA-N,2,1,0.554,97,109,428.427,3.975,5,0.404,0.82,1.0,0.8481512576245631,0.8117846617778083,0.7420156260708656,0.6387756151052019,0.7601817901446097
EOS-2-30122,COc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,KYBPNGPRUZUUGD-UHFFFAOYSA-N,2,1,0.523,43,433,428.427,3.975,5,0.404,0.76,1.0,0.9323641285724077,0.8483225961208964,0.7654890000685354,0.6704475361524227,0.8041558152285656
EOS-2-30123,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(OC2CCC2)c1,POEBVHXXHMCPPK-UHFFFAOYSA-N,2,1,0.333,61,697,428.427,4.579,6,0.405,0.78,1.0,0.6363511753820849,0.5963522034130628,0.40138612843533683,0.569400657939826,0.5508725412925776
EOS-2-30124,Oc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cccnc1,PNLPARZAXVDXRT-UHFFFAOYSA-N,2,1,0.541,35,111,428.427,3.715,5,0.412,0.66,1.0,0.9095675416352547,0.827290795695977,0.7317524501404976,0.679314303337674,0.7869812727023507
EOS-2-30125,Oc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cccnc1,RJYLOIKVBZNXCE-UHFFFAOYSA-N,2,1,0.547,35,982,428.427,3.715,5,0.44,0.7,1.0,0.8934702899047358,0.8079895140840244,0.7492803783154,0.7046809677198272,0.7888552875059969
EOS-2-30126,Oc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ccncc1,JQFMNFYYCPHHIE-UHFFFAOYSA-N,2,1,0.552,11,490,428.427,3.715,5,0.44,0.71,0.999,0.8290470152833939,0.8041857994654239,0.6927986429991091,0.6618035090124049,0.746958741690083
EOS-2-30127,COc1cccnc1COc1cncc2nnc(-c3cccc(-c4ccnc(F)c4)c3)n12,MFXQWTRVQMOCND-UHFFFAOYSA-N,2,1,0.54,97,744,428.427,3.975,5,0.378,0.71,1.0,0.6665410184360222,0.6538876704818039,0.6954629566170927,0.5942961414570626,0.6525469467479953
EOS-2-30128,COc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccn4)n23)n1,BGYYBMMIENOKFI-UHFFFAOYSA-N,2,1,0.467,1,560,428.427,3.975,5,0.404,0.82,1.0,0.6138115961894318,0.6341066410801178,0.6544273867452539,0.5788071413885272,0.6202881913508327
EOS-2-30129,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)cn4)n23)cc1,OYOPCSMRIOLRET-UHFFFAOYSA-N,2,1,0.56,1,744,428.427,3.459,5,0.414,0.76,1.0,0.7335686382016311,0.697519018573093,0.8241124665889932,0.75023130697005,0.7513578575834419
EOS-2-30130,COc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)n2)cc1,PUJYVALNRUYBOI-UHFFFAOYSA-N,2,1,0.556,1,210,428.427,3.975,5,0.404,0.8,1.0,0.935628126927558,0.9135083270509218,0.6655044205332054,0.5943047083818792,0.7772363957233911
EOS-2-30131,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nn5)c4)n23)cc1,RABUGBJHTOFAFB-UHFFFAOYSA-N,2,1,0.576,43,613,428.427,3.459,5,0.442,0.75,1.0,0.9210043862655062,0.757633130011651,0.8029264615173737,0.742675279281749,0.80605981426907
EOS-2-30132,COc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cn1,UETKBJGTYIXWBN-UHFFFAOYSA-N,2,1,0.457,97,91,428.427,3.975,5,0.404,0.81,1.0,0.8968799259817696,0.740019532588582,0.7291138372969639,0.629823178671784,0.7489591186347748
EOS-2-30133,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)cc5)n4)n23)cc1,ZQVYCVREBZHEFB-UHFFFAOYSA-N,2,1,0.548,1,929,428.427,3.459,5,0.442,0.83,1.0,0.7974436296347063,0.7954903707765061,0.763047426495785,0.7319580563360976,0.7719848708107738
EOS-2-30134,COc1cc(-c2nnc3cncc(OCc4cccnc4F)n23)ccc1-c1cccnc1,XUVDMMQEDUHPLG-UHFFFAOYSA-N,2,1,0.494,97,103,428.427,3.975,5,0.378,0.73,1.0,0.9236344321842231,0.7576416969364677,0.7770372147214036,0.6675090809403057,0.7814556061956
EOS-2-30135,COc1ccccc1-c1nnc2cncc(OCc3nccc(-c4ccccc4F)n3)n12,QMJBNXNGJZVKEB-UHFFFAOYSA-N,2,1,0.511,1,700,428.427,3.975,5,0.404,0.72,1.0,0.7061801795627441,0.6291549585360839,0.5724761839490097,0.5165255979713522,0.6060842300047975
EOS-2-30136,COc1cncc(COc2cncc3nnc(-c4ccc(-c5cccnc5F)cc4)n23)c1,LDBCAENSNHOUKB-UHFFFAOYSA-N,2,1,0.512,97,91,428.427,3.975,5,0.378,0.71,1.0,0.9413936673291755,0.869328695771366,0.7988571722294565,0.6879411966280584,0.8243801829895141
EOS-2-30137,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nc5)n4)n23)cc1,NPPCCPJVNDISBL-UHFFFAOYSA-N,2,1,0.516,1,436,428.427,3.459,5,0.414,0.81,1.0,0.7214721403604962,0.707448084435611,0.765497566993352,0.6939294770749092,0.7220868172160921
EOS-2-30138,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)cc1,COMQTRFHVKGTGF-UHFFFAOYSA-N,2,1,0.464,11,848,428.427,3.715,5,0.412,0.64,1.0,0.7663199917757522,0.8079980810088411,0.6041652388458639,0.5724419162497429,0.6877313069700501
EOS-2-30139,COc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nc2)cn1,HMMHYLPUHRASAU-UHFFFAOYSA-N,2,1,0.603,1,744,428.427,3.975,5,0.404,0.72,1.0,0.8109279692961414,0.8636231238434652,0.7492889452402166,0.6387841820300185,0.7656560551024604
EOS-2-30140,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)n1,JSTYRBPZZWPVEZ-UHFFFAOYSA-N,2,1,0.38,65,658,428.416,1.458,5,0.372,0.69,1.0,0.46109759440751147,0.2660458501816188,0.03390788842437119,0.021006099650469467,0.19551435816599275
EOS-2-30141,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nccn6C)no5)n34)o2)n1C,MPIFHCFAPOIHCI-UHFFFAOYSA-N,2,1,0.255,99,794,428.416,2.544,6,0.415,0.59,0.932,0.023627578644369818,0.0032811322047837706,0.015737440888218764,0.011445411555068192,0.013522890823110135
EOS-2-30142,COc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnnc5)n34)ncn2)cn1,HRKVQOHPASZFBV-UHFFFAOYSA-N,2,1,0.396,31,194,428.416,1.458,5,0.372,0.55,1.0,0.4785312864094305,0.14641731204166952,0.07229627852785964,0.036023918854088136,0.18331719895826196
EOS-2-30143,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cn2)nn1,IWMPMTRRDUHJMF-UHFFFAOYSA-N,2,1,0.439,53,779,428.416,1.458,5,0.372,0.65,1.0,0.5132358988417518,0.38958090603796863,0.03130354328010417,0.018264683709135768,0.23809625796724013
EOS-2-30144,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)cc1,JWPVKDOLYDIDLE-UHFFFAOYSA-N,2,1,0.517,89,398,428.412,2.175,5,0.432,0.69,1.0,0.40373346583510383,0.1911023918854088,0.2076365567815777,0.09924782400109657,0.2254300596257967
EOS-2-30145,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnc(CO)nc5)nc4)n23)cn1,RXHAVEIUYNVPKP-UHFFFAOYSA-N,2,1,0.404,51,282,428.412,2.331,5,0.429,0.7,1.0,0.45882735933109453,0.3754283462408334,0.25719621684600097,0.1392125282708519,0.3076661126721952
EOS-2-30146,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc([N+](=O)[O-])cc4)n23)ccn1,HKQDARBZCAZTDW-UHFFFAOYSA-N,2,1,0.511,89,805,428.412,3.074,5,0.298,0.72,1.0,0.6167414844767323,0.17429408539510657,0.3305804948255774,0.12403193749571653,0.3114120005482832
EOS-2-30147,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc([N+](=O)[O-])c4)n23)ccn1,FAYGJOGNXJOSBD-UHFFFAOYSA-N,2,1,0.462,24,912,428.412,3.074,5,0.298,0.77,1.0,0.414973271194572,0.08967856898087863,0.31963196490987594,0.1240405044205332,0.23708107737646492
EOS-2-30148,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)c(OC)n4)n23)cn1,HDQRBFSTFKPTON-UHFFFAOYSA-N,2,1,0.366,49,501,428.412,2.848,5,0.399,0.62,1.0,0.3819991775752176,0.10555308066616408,0.2040127475841272,0.08753683777671167,0.19477546090055514
EOS-2-30149,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc([N+](=O)[O-])cc3)n12,OWBABNUKRNEGCN-UHFFFAOYSA-N,2,1,0.571,1,347,428.408,4.242,5,0.291,0.76,1.0,0.6110958810225482,0.28136351175382085,0.27931601672263723,0.1261137002261668,0.32447227743129325
EOS-2-30150,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)o5)c4)n23)cn1,VCWKDJYQDVBAMF-UHFFFAOYSA-N,2,1,0.315,99,286,428.391,2.567,6,0.42,0.7,0.994,0.0414896168871222,0.1543502844219039,0.21120896443012815,0.232489205674731,0.15988451785347133
EOS-2-30151,Cn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(C#N)nc3)n12,BIUXJQNLWSUIOC-UHFFFAOYSA-N,2,1,0.436,92,185,428.391,1.967,5,0.412,0.7,0.999,0.5209718319512028,0.6010383112877802,0.12744157357275032,0.15393907203070387,0.35084769721060927
EOS-2-30152,Fc1ccc(-c2nc(COc3cncc4nnc(-c5cnc6[nH]ccc6c5)n34)no2)cc1,MAMVQIVSAGYUGX-UHFFFAOYSA-N,2,1,0.427,97,335,428.387,3.436,6,0.443,0.62,1.0,0.6967565622644095,0.7489120005482832,0.34923069015146324,0.40896785689808784,0.550966777465561
EOS-2-30153,FC(F)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccno5)s4)n23)cn1,HGLRNHASRBRFDK-UHFFFAOYSA-N,2,1,0.483,27,69,428.384,3.209,5,0.402,0.7,1.0,0.49825234733739976,0.5296843944897539,0.2465132615996162,0.23546192858611473,0.37747798300322116
EOS-2-30154,N#Cc1cc(F)cc(-c2nnc3cncc(Oc4ccc(-c5ccc(F)cn5)nn4)n23)c1,DWRUDWCYKAUZGP-UHFFFAOYSA-N,2,1,0.394,13,706,428.362,3.585,5,0.427,0.76,1.0,0.7804125830991707,0.7351535192927147,0.8029350284421904,0.8049739565485573,0.7808687718456583
EOS-2-30155,N#Cc1ncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cn1,QCTREVTVNFYKKN-UHFFFAOYSA-N,2,1,0.398,13,110,428.362,3.585,5,0.427,0.72,1.0,0.6726663696799396,0.6387756151052019,0.8048111849770406,0.7847046124323213,0.7252394455486258
EOS-2-30156,Fc1cc(-c2nnc3cncc(OCc4nnn(C(F)F)n4)n23)ccc1-c1cc[nH]n1,FRYWGQFGUONHBH-UHFFFAOYSA-N,2,1,0.43,36,404,428.338,2.281,5,0.437,0.61,1.0,0.4859245425262148,0.581831265848811,0.2831882667397711,0.3073726954972243,0.4145791926530053
EOS-2-30157,Fc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1nn(C(F)F)o1,MNALZTWBICNSCE-UHFFFAOYSA-N,2,1,0.523,36,208,428.334,3.151,5,0.406,0.66,1.0,0.6278099513398671,0.6486704132684532,0.5287677335343705,0.45013193064217666,0.5638450071962168
EOS-2-30158,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(F)cc4OC(F)F)n23)no1,VTQFVLMNTMYMQP-UHFFFAOYSA-N,2,1,0.375,50,985,428.334,2.982,5,0.42,0.65,0.995,0.3844150503735179,0.5111284353368515,0.6276900143924337,0.6387927489548352,0.5405065622644095
EOS-2-30159,Fc1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)cc(F)c5F)c4)n23)c(F)c1,ITJWMJXFDKPCFR-UHFFFAOYSA-N,2,1,0.374,45,102,428.324,4.34,5,0.317,0.79,1.0,0.04890000685353985,0.3845435542457679,0.9843739291343979,0.990096634911932,0.6019785312864094
EOS-2-30160,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3c(F)ccc(F)c3F)n12,IOUDGDWWXNXKLX-UHFFFAOYSA-N,2,1,0.437,34,145,428.305,4.19,5,0.313,0.67,1.0,0.8389589472962785,0.8447073538482627,0.9442807209923926,0.940014392433692,0.8919903536426564
EOS-2-30161,Fc1cc(Cl)cc(-c2nc(Cl)ncc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,BZYKEVXZPYOLIY-UHFFFAOYSA-N,2,1,0.429,45,46,471.71,6.015,5,0.301,0.68,1.0,0.4241570145980399,0.7616338839010349,0.9521194571996436,0.9826262764717977,0.780134158042629
EOS-2-30162,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)cn5)cc4)n23)cc(Cl)c1Cl,IEJYRHFXSZDJKY-UHFFFAOYSA-N,2,1,0.397,45,102,471.71,6.015,5,0.301,0.74,1.0,0.39544068261256937,0.6828610102117744,0.972560139812213,0.9872952504968816,0.7595392707833596
EOS-2-30163,Fc1cc(-c2ncc(Cl)cn2)cc(Cl)c1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,FCNONELDAYTXNS-UHFFFAOYSA-N,2,1,0.469,45,102,471.71,6.015,5,0.322,0.8,1.0,0.42898019326982384,0.7351620862175313,0.9528133781097937,0.982052292509081,0.7747519875265574
EOS-2-30164,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)cc4Cl)n23)cc1,QXCWNOSMYPOZFR-UHFFFAOYSA-N,2,1,0.636,34,146,471.735,5.516,5,0.338,0.8,1.0,0.7633558357891851,0.9052840792269207,0.9355338907545747,0.9659122061544788,0.8925215029812898
EOS-2-30165,Clc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)cc5Cl)c4)n23)cc1,CHILEKZKHZSSKW-UHFFFAOYSA-N,2,1,0.615,34,146,471.735,5.516,5,0.338,0.79,1.0,0.6421595504077856,0.8447159207730793,0.9215269686793228,0.9607206497155781,0.8422807723939415
EOS-2-30166,Clc1cccc(-c2cc(-c3nnc4cncc(OCc5nc(Cl)c[nH]5)n34)ccc2Cl)c1,XFYMWAVDFZQCQX-UHFFFAOYSA-N,2,1,0.477,34,146,471.735,5.721,5,0.354,0.64,1.0,0.7335772051264479,0.8777414159413337,0.9177403879103557,0.9607292166403948,0.8724470564046329
EOS-2-30167,Cn1nc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)cc1-c1cccc(Cl)c1,RLRRVFSTMOSYSU-UHFFFAOYSA-N,2,1,0.466,34,266,471.735,5.944,5,0.324,0.8,0.999,0.372678363374683,0.4980553080666164,0.8889640874511685,0.9485984510999932,0.6770740524981154
EOS-2-30168,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c(F)c1,DXYVFWFTEQKZLQ-UHFFFAOYSA-N,2,1,0.74,23,370,428.254,4.73,4,0.46,0.78,1.0,0.9868240696319649,0.995690836817216,0.9742649578507299,0.9848536769241313,0.9854083853060105
EOS-2-30169,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)c(Cl)c1,IWMKEYKOWJWMEM-UHFFFAOYSA-N,2,1,0.63,68,305,471.773,5.039,4,0.367,0.67,1.0,0.9249194709067233,0.962399766979645,0.9983637173600165,0.9968131039681996,0.970624014803646
EOS-2-30170,Fc1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)nc1Cl,YFTWBQJKOXQLML-UHFFFAOYSA-N,2,1,0.296,22,990,428.218,3.275,5,0.407,0.65,0.73,0.035518470289904736,0.23511068466863136,0.3305890617503941,0.6125865259406483,0.3034511856623946
EOS-2-30171,Fc1c(Cl)cc(Cl)nc1-n1nnc(-c2cncc3nnc(-c4ccccc4)n23)n1,OCSDPPJUPFGTID-UHFFFAOYSA-N,2,1,0.408,22,990,428.218,3.275,5,0.407,0.67,0.999,0.07187649921184291,0.2867778082379549,0.22480467411417998,0.5094835857720512,0.2732356418340073
EOS-2-30172,Fc1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)nn5)nn4)n23)cc1Cl,PFKFIPPEQFAYND-UHFFFAOYSA-N,2,1,0.362,22,844,428.218,3.275,5,0.435,0.7,1.0,0.06988897265437599,0.3704766636967994,0.5656226440956754,0.7631587965184018,0.44228676924131316
EOS-2-30173,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3nnc(-c4cccnc4Cl)o3)n12,GXZYVHUBUYYLQX-UHFFFAOYSA-N,2,1,0.371,45,730,428.214,4.349,5,0.395,0.72,0.937,0.35191213761908025,0.6435388253032691,0.6628743746144884,0.827702008087177,0.6215068364060037
EOS-2-30174,Fc1cc(Cl)c(Cl)cc1-c1nnc2cncc(-c3ccc(-c4nnco4)nc3)n12,KKLQOSZLAZKYGQ-UHFFFAOYSA-N,2,1,0.325,45,575,428.214,4.349,5,0.395,0.8,0.999,0.3704081282982661,0.5667192104722089,0.8365002398738949,0.897256870673703,0.6677211123295181
EOS-2-30175,Fc1cc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)o4)n23)ccc1Cl,ZKYSBUXMEBVPOJ-UHFFFAOYSA-N,2,1,0.368,45,730,428.214,4.349,5,0.395,0.81,0.999,0.42898876019464055,0.6878812281543417,0.7539150846412171,0.8707508052909327,0.685383969570283
EOS-2-30176,Fc1cc(Oc2cncc3nnc(-c4ccc(-c5cnc(F)c(F)c5)cc4)n23)c(F)cc1Cl,XJCKWNUJBVNYKP-UHFFFAOYSA-N,2,1,0.471,13,236,471.801,5.855,5,0.187,0.71,1.0,0.9573024467137277,0.9693304091563293,0.9922297991912823,0.9947656089370159,0.9784070659995888
EOS-2-30177,Fc1cc(Cl)ccc1-c1cncc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)c1,UDLPPJMTKPTICE-UHFFFAOYSA-N,2,1,0.448,13,236,471.801,5.855,5,0.243,0.72,1.0,0.8527345624014804,0.9265900212459736,0.9925553423343156,0.9958878760879994,0.9419419505174422
EOS-2-30178,Fc1cc(-c2cnc(F)c(F)c2)ccc1Oc1cncc2nnc(-c3c(F)cccc3Cl)n12,ZTNINBJREFWCPJ-UHFFFAOYSA-N,2,1,0.447,13,236,471.801,5.855,5,0.243,0.81,1.0,0.8481598245493798,0.9229576451237064,0.9890429031594818,0.9935748063874992,0.9384337948050168
EOS-2-30179,Fc1cnc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)c(F)c1,UOSMQCCNDNQFRH-UHFFFAOYSA-N,2,1,0.494,34,236,471.801,5.855,5,0.307,0.7,1.0,0.9632650263861284,0.9826605441710644,0.987466588993215,0.9924611061613323,0.981463316427935
EOS-2-30180,Fc1ccc(-c2cncc(C(F)(F)F)n2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,UXWCUYUJNRGGRQ-UHFFFAOYSA-N,2,1,0.407,45,315,471.805,5.122,5,0.34,0.71,1.0,0.4497035844013433,0.7664570625728189,0.9717805496538963,0.964901309026112,0.7882106264135426
EOS-2-30181,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)nc5)o4)n23)cc1,WOFOAOKRJFDSHQ-UHFFFAOYSA-N,2,1,0.619,72,996,471.811,4.07,5,0.324,0.78,1.0,0.7889538071413885,0.9052926461517373,0.7445171681173326,0.7373466520457816,0.7940275683640601
EOS-2-30182,FC(F)Oc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cn5)n4)n23)cc1,BPVTYDWOPBVKQZ-UHFFFAOYSA-N,2,1,0.607,27,996,471.811,4.07,5,0.346,0.8,1.0,0.8240781988897266,0.8272993626207936,0.6792714687135906,0.6965338222191763,0.7567957131108217
EOS-2-30183,COc1nc(-c2nnc3cncc(Oc4cc(F)cc(F)c4Cl)n23)ccc1-c1nnc(C)o1,CSXMVCJJFJEYNN-UHFFFAOYSA-N,2,1,0.378,13,251,471.811,4.277,5,0.346,0.71,0.987,0.6541361113014872,0.5869971215132616,0.5689380439997258,0.5335052429579878,0.5858941299431156
EOS-2-30184,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nnnn4-c4ccc(Cl)cc4)n23)cn1,MVKMWTHOUZYZPT-UHFFFAOYSA-N,2,1,0.457,36,612,471.815,2.996,5,0.353,0.71,1.0,0.39321328216023577,0.6583853060105544,0.5218199575080529,0.585001028030978,0.5396048934274552
EOS-2-30185,Fc1cc(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cnc1C(F)(F)F,JJEYIDQUTNVZAE-UHFFFAOYSA-N,2,1,0.417,23,861,428.176,5.318,4,0.406,0.79,1.0,0.4567027619765609,0.7833424713864711,0.9971557809608663,0.9984665204578165,0.8089168836954287
EOS-2-30186,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(F)c(F)c3F)n12,TWTUIVWQGHVEAV-UHFFFAOYSA-N,2,1,0.542,34,146,471.826,5.404,5,0.319,0.78,1.0,0.9079997943938044,0.9027825371804538,0.930265231992324,0.9400229593585087,0.9202676307312727
EOS-2-30187,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cc5)no4)n23)cc1,AATGTPXPXSXZIT-UHFFFAOYSA-N,2,1,0.608,1,138,471.826,5.698,5,0.327,0.82,1.0,0.9787968610787472,0.9509115208004935,0.9900538002878487,0.9839027482694812,0.9759162326091426
EOS-2-30188,Fc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cncn1C(F)F,CJGDOQXLQQYNEE-UHFFFAOYSA-N,2,1,0.484,16,55,471.83,4.816,5,0.33,0.66,1.0,0.9000839558632033,0.844724487697896,0.9651925844698787,0.9538585429374272,0.9159648927421014
EOS-2-30189,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4cncn4C(F)F)cc3)n12,TXAXQIWUYVFLGC-UHFFFAOYSA-N,2,1,0.473,27,526,471.83,4.816,5,0.353,0.73,1.0,0.8315057227057775,0.7954989377013227,0.9424730998560756,0.9322184908505243,0.8754240627784251
EOS-2-30190,Cn1cc(COc2cncc3nnc(-c4ccc(F)cc4Cl)n23)c(-c2cnc(F)c(F)c2)n1,UDRNXUZLDFZFML-UHFFFAOYSA-N,2,1,0.495,59,772,471.83,4.237,5,0.357,0.68,1.0,0.5239017202385032,0.7121598930847783,0.8807569734768008,0.8943783839353026,0.7527992426838463
EOS-2-30191,Cn1ncc(-c2nnc3cncc(OCc4c(F)cc(F)cc4F)n23)c1-c1ccc(Cl)nc1,HPOFYSALEASXOS-UHFFFAOYSA-N,2,1,0.488,59,772,471.83,4.237,5,0.357,0.67,1.0,0.4956308683434994,0.5818398327736276,0.8937015968747858,0.9078969912960044,0.7197673223219793
EOS-2-30192,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccc(F)c5Cl)n34)cn2)cc1F,QFOKCTZNKGYDHD-UHFFFAOYSA-N,2,1,0.483,59,607,471.83,4.237,5,0.357,0.68,1.0,0.7119114522650949,0.7788534027825372,0.8937101637996024,0.8959461311767528,0.8201052875059969
EOS-2-30193,Cn1nc(-c2ccc(F)cc2F)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,OTUBUTXQQPQCRG-UHFFFAOYSA-N,2,1,0.557,34,146,471.83,4.237,5,0.381,0.75,1.0,0.6604670687410047,0.8636316907682818,0.7291224042217805,0.8338273593310945,0.7717621307655403
EOS-2-30194,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1-c1ccc(F)c(F)c1,VRXZEHZWYQLOAZ-UHFFFAOYSA-N,2,1,0.43,95,965,471.83,4.237,5,0.381,0.68,0.982,0.4588359262559112,0.5071790829963676,0.8616869988348982,0.8890069220752519,0.6791772325406072
EOS-2-30195,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cn(C(F)F)cn4)nc3)n12,VUEUYNJSZCNHQY-UHFFFAOYSA-N,2,1,0.461,59,332,471.83,4.816,5,0.353,0.7,0.994,0.8159396203138921,0.8413491193201289,0.9496950174765266,0.942541635254609,0.8873813480912891
EOS-2-30196,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)ccc1F,BHVZLIGLYWAIMA-UHFFFAOYSA-N,2,1,0.548,34,607,471.83,4.237,5,0.357,0.67,1.0,0.7633644027140017,0.837913782468645,0.9341803166335412,0.9400315262833253,0.8688725070248783
EOS-2-30197,Cn1cc(-c2cc(F)cc(-c3cncc4nnc(-c5ccc(Cl)c(OC(F)F)c5)n34)c2)nn1,KKHVZWBJKSVCPQ-UHFFFAOYSA-N,2,1,0.354,22,121,471.83,4.648,5,0.371,0.77,1.0,0.3498475087382633,0.6926787060516757,0.9548865739154273,0.9552121170584607,0.7381562264409567
EOS-2-30198,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c(Cl)cc1F,JRQQQFAIWOVFQI-UHFFFAOYSA-N,2,1,0.653,34,607,471.83,4.237,5,0.381,0.67,1.0,0.8267853471317935,0.8855887190734014,0.9158042629017887,0.9283205400589405,0.889124717291481
EOS-2-30199,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3cn(-c4ccc(Cl)cc4)nn3)n12,VLBLGZBOZFFMBO-UHFFFAOYSA-N,2,1,0.604,34,612,471.83,4.681,5,0.357,0.74,1.0,0.3565725447193475,0.6779435953670071,0.9325697347680076,0.9408882187649921,0.7269935234048386
EOS-2-30200,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cn(-c5cccc(Cl)c5)nn4)n23)cc1,FRRASCJUTLCPGJ-UHFFFAOYSA-N,2,1,0.67,43,138,471.83,4.623,5,0.372,0.78,1.0,0.4289973271194572,0.6926872729764924,0.9690391337125626,0.9565485573298609,0.7618180727845933
EOS-2-30201,Fc1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1cnn(C(F)F)c1,FKDXWMAJGZBSFV-UHFFFAOYSA-N,2,1,0.517,16,394,471.83,4.816,5,0.33,0.68,1.0,0.7394712494003153,0.8195891302857926,0.9592385717222945,0.9464995545199095,0.8661996264820779
EOS-2-30202,Fc1cccnc1COc1cncc2nnc(-c3ccc(-c4ccn(C(F)F)n4)c(Cl)c3)n12,NJHVLDPBVSMWEC-UHFFFAOYSA-N,2,1,0.523,34,526,471.83,4.816,5,0.353,0.68,1.0,0.5910664108011788,0.7616424508258516,0.9158128298266054,0.9068089918442875,0.7938326708244808
EOS-2-30203,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)c(F)c5)n34)cc2)nc1Cl,SETRMSHZDLHVNS-UHFFFAOYSA-N,2,1,0.402,61,121,471.83,4.648,5,0.371,0.79,1.0,0.4060037009115208,0.6682372695497224,0.8974453430196696,0.8943869508601192,0.716518316085258
EOS-2-30204,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)cc1Cl,GWPYXTSDNWSVOR-UHFFFAOYSA-N,2,1,0.625,59,294,471.83,4.816,5,0.353,0.72,1.0,0.6908025495168254,0.8413576862449456,0.9541583853060106,0.940040093208142,0.8565896785689808
EOS-2-30205,Cn1nc(-c2ccc(OC(F)F)cc2)nc1-c1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,OGJWOWDPDINSDZ-UHFFFAOYSA-N,2,1,0.473,22,316,471.83,4.648,5,0.371,0.8,1.0,0.41053560413953805,0.7833510383112878,0.8821191145226509,0.9090620930710712,0.746266962511137
EOS-2-30206,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)n5)cc4)n23)ccc1Cl,OQJDBPJFSGLXSO-UHFFFAOYSA-N,2,1,0.707,43,96,471.83,4.816,5,0.353,0.69,1.0,0.9470135700089096,0.9417534781714756,0.9167294907819888,0.9021999862929203,0.9269241313138236
EOS-2-30207,Cn1cc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)nc5)cc4F)n23)n1,JLOSNDICSZWKEB-UHFFFAOYSA-N,2,1,0.337,96,121,471.83,4.648,5,0.371,0.78,0.983,0.4171235693235556,0.682869577136591,0.9215355356041396,0.9223665273113563,0.7359738023439106
EOS-2-30208,COc1cc(-c2nnc3cncc(-c4cnn(-c5ncccc5C(F)(F)F)c4)n23)ccc1Cl,KFUFNVSMZLBSQX-UHFFFAOYSA-N,2,1,0.349,96,315,471.83,4.72,5,0.377,0.82,1.0,0.07377835652114317,0.48383421287094786,0.9697073538482627,0.9400486601329586,0.6168421458433281
EOS-2-30209,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nn(F)cc5Cl)n34)cc2F)cn1,ILECKURYQNYERH-UHFFFAOYSA-N,2,1,0.511,37,919,471.83,4.336,5,0.343,0.63,1.0,0.7543005962579672,0.8195976972106093,0.8540881365225139,0.890343362346652,0.8295824480844356
EOS-2-30210,Cn1nc(-c2cc(F)ncc2Cl)cc1Oc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,VAPVTUUHNXSXKP-UHFFFAOYSA-N,2,1,0.398,13,706,471.83,5.109,5,0.331,0.75,1.0,0.6789544924953739,0.7918665615790556,0.9424816667808923,0.9283291069837571,0.8354079569597697
EOS-2-30211,Fc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1cnn(C(F)F)c1,JALFTUGAWMCVLK-UHFFFAOYSA-N,2,1,0.523,16,394,471.83,4.816,5,0.353,0.68,1.0,0.7394798163251319,0.8041943663902406,0.9565485573298609,0.9472448769789596,0.8618669042560482
EOS-2-30212,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)n5C(F)F)ccn4)n23)n1,QGYGEWLZEPPPNG-UHFFFAOYSA-N,2,1,0.426,46,122,471.83,4.816,5,0.33,0.67,1.0,0.5182218490850524,0.5622215749434583,0.922529298882873,0.9079055582208211,0.7277195702830512
EOS-2-30213,COc1nc(-c2nnc3cncc(OCCc4nn(F)cc4Cl)n23)ccc1-c1noc(C)n1,OXONICWLSFANBT-UHFFFAOYSA-N,2,1,0.384,31,456,471.84,2.757,5,0.349,0.6,1.0,0.49074772119799875,0.4359708039202248,0.05433143718730724,0.058075183332191076,0.25978128640943043
EOS-2-30214,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)o2)c(Cl)c1,DUNDXZFLRFIORP-UHFFFAOYSA-N,2,1,0.296,39,596,471.843,4.153,6,0.373,0.63,0.986,0.28119217325748747,0.4267442258926736,0.4765523267767802,0.5911777808237955,0.44391662668768417
EOS-2-30215,Fc1cnc(-c2nc(Cl)ccc2-c2nnc3cncc(-c4cccc(-c5ncon5)c4)n23)nc1,UQALFMZKVKTSRO-UHFFFAOYSA-N,2,1,0.329,42,635,471.843,4.153,6,0.349,0.63,1.0,0.4060122678363375,0.43597937084504146,0.39423274621341925,0.5031012267836338,0.434831402919608
EOS-2-30216,Fc1nc(Cl)nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)n1,SGWQBZMCDLJFFY-UHFFFAOYSA-N,2,1,0.338,42,983,471.843,4.153,6,0.373,0.72,1.0,0.36344321842231514,0.42675279281749023,0.4906020834761154,0.509492152696868,0.44757256185319716
EOS-2-30217,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)nc2)c1,KVNHYKNQSMVVGJ-UHFFFAOYSA-N,2,1,0.267,70,392,471.843,4.153,6,0.349,0.74,0.955,0.2840706599958879,0.3990559248852032,0.4938746487560825,0.6029059008978137,0.4449767836337468
EOS-2-30218,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)cc2)nn1,XIUBWSIEAMZLSH-UHFFFAOYSA-N,2,1,0.325,3,641,471.843,4.153,6,0.349,0.65,0.952,0.3106538277020081,0.4931892947707491,0.48739805359468164,0.5724504831745597,0.46592291481049963
EOS-2-30219,Fc1cnc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)nn1,YUYDQBCXSNUQHW-UHFFFAOYSA-N,2,1,0.377,3,340,471.843,4.153,6,0.373,0.66,1.0,0.40814543211568777,0.5483602905900897,0.5816684942772942,0.6446182578301692,0.5456981187033102
EOS-2-30220,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)c(Cl)c1,YVMGNSWZSWOJDY-UHFFFAOYSA-N,2,1,0.294,39,952,471.847,3.078,6,0.381,0.58,0.633,0.03425913234185457,0.18262970324172434,0.2501542046467,0.40897642382290456,0.21900486601329588
EOS-2-30221,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)cc1,RTJOWRNKXJOACD-UHFFFAOYSA-N,2,1,0.292,10,827,471.847,3.079,6,0.381,0.65,0.894,0.037017682132821604,0.19574566513604277,0.15790555822082106,0.3870536632170516,0.19443064217668427
EOS-2-30222,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nn1C(F)F,LENAZIPWQNWQSY-UHFFFAOYSA-N,2,1,0.451,95,569,471.859,3.453,5,0.335,0.61,0.999,0.37041669522308274,0.312410047289425,0.4664519224179289,0.44051127407305873,0.3974474847508739
EOS-2-30223,Clc1ccc(-c2ncoc2COc2cncc3nnc(-c4ccc(-c5ccno5)cc4)n23)cn1,HKWPYRSPKGHEHI-UHFFFAOYSA-N,2,1,0.488,41,78,471.864,4.729,6,0.317,0.64,1.0,0.7862894935234048,0.7532896991296004,0.5816770612021109,0.5754917414844767,0.6741869988348983
EOS-2-30224,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnco4)c(Cl)c3)n12,YDZLQEIMZNWVMQ-UHFFFAOYSA-N,2,1,0.337,9,38,471.864,4.825,6,0.348,0.73,1.0,0.6054759783428141,0.5205863203344527,0.7107891851141115,0.6618120759372216,0.62466588993215
EOS-2-30225,Clc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)o2)ccn1,FZIGYLCAVYYHCW-UHFFFAOYSA-N,2,1,0.524,41,592,471.864,4.729,6,0.317,0.65,1.0,0.7028819135083271,0.7446114042903159,0.6129977383318485,0.5850095949557946,0.6613751627715716
EOS-2-30226,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5nc(-c6ccccc6)no5)n34)no2)cc1,YUNDKYQFVRJOSD-UHFFFAOYSA-N,2,1,0.415,12,857,471.864,4.729,6,0.339,0.73,1.0,0.4832944966074978,0.4796963881844973,0.34148619011719555,0.45014049756699337,0.43865439311904597
EOS-2-30227,Clc1ncn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)n1,ISFZJWBFVUZELI-UHFFFAOYSA-N,2,1,0.529,40,932,471.868,3.654,6,0.358,0.59,1.0,0.40602083476115414,0.47513878418203004,0.42677849359194026,0.39052326776780205,0.4246153450757316
EOS-2-30228,Clc1ccc(-c2ncno2)cc1-c1nnc2cncc(OCc3ccc(-n4ccnc4)cn3)n12,MSNKAPPSSQBTFC-UHFFFAOYSA-N,2,1,0.458,80,247,471.868,3.654,6,0.358,0.65,1.0,0.3954492495373861,0.4751473511068467,0.5008738263313001,0.47802583784524705,0.46237406620519494
EOS-2-30229,Clc1ccc(-c2nocc2COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cn4)n23)cn1,NSIWCZIELSWCAR-UHFFFAOYSA-N,2,1,0.366,6,959,471.868,3.859,6,0.359,0.55,0.999,0.5570985539030909,0.5205948872592694,0.40849667603317114,0.4218953464464396,0.4770213659104928
EOS-2-30230,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)no2)cc1,ZMMMETGOEFVUGI-UHFFFAOYSA-N,2,1,0.5,40,611,471.868,3.859,6,0.384,0.63,1.0,0.6636111301487219,0.6486789801932699,0.3196405318346926,0.3744088821876499,0.5015848810910836
EOS-2-30231,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)o2)cc1,WGDAFVNXOLVYIP-UHFFFAOYSA-N,2,1,0.494,67,611,471.868,3.859,6,0.384,0.65,1.0,0.6511034199163868,0.7616510177506682,0.33450414639161125,0.3870622301418683,0.5335802035501337
EOS-2-30232,COc1c[nH]nc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)o4)n23)cc1,OHLSIGXUHRMCKZ-UHFFFAOYSA-N,2,1,0.341,9,641,471.868,3.955,6,0.371,0.63,0.829,0.5057826742512508,0.5296929614145707,0.3492392570762799,0.3579946542389144,0.4356773867452539
EOS-2-30233,Cn1ccnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)nn1,KWPNECASSRPNML-UHFFFAOYSA-N,2,1,0.333,6,502,471.872,3.213,6,0.401,0.64,1.0,0.5032725652799671,0.48846035227194845,0.142613597423069,0.15673188952093756,0.32276960112398057
EOS-2-30234,Cn1cnnc1-c1cc(Cl)cc(Oc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1,HVJWCTMXDPBFOH-UHFFFAOYSA-N,2,1,0.483,67,789,471.872,3.213,6,0.401,0.7,1.0,0.4883232814748818,0.6156106504009321,0.31218730724419164,0.36157562881228156,0.4444242169830718
EOS-2-30235,CCn1nnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2Cl)n1,LRXMWHPIKDUKGX-UHFFFAOYSA-N,2,1,0.286,98,63,471.872,3.23,6,0.368,0.69,1.0,0.21618634774861215,0.26605441710643546,0.05242957987800699,0.10768624494551436,0.16058914741964225
EOS-2-30236,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)c(Cl)c2)o1,IRCQBWLCSWHXDW-UHFFFAOYSA-N,2,1,0.318,98,424,471.872,3.056,6,0.376,0.68,1.0,0.1858080323487081,0.2813720786786375,0.10009594955794668,0.14159413336988555,0.17721754848879445
EOS-2-30237,Fc1cccc(Sc2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)o2)c1,UMCMZYACGBVVPA-UHFFFAOYSA-N,2,1,0.523,34,146,471.876,5.441,5,0.326,0.68,1.0,0.8968884929065862,0.9430556507436091,0.9073058734836543,0.9274210129531903,0.91866775752176
EOS-2-30238,COc1cc(-c2nnc3cncc(Oc4cc(F)cc(Cl)c4F)n23)ccc1-c1cncs1,OQSTYCBNDPWAFS-UHFFFAOYSA-N,2,1,0.488,13,209,471.876,5.647,5,0.308,0.76,1.0,0.9016945377287369,0.8936073607018025,0.9442892879172092,0.9232232197930231,0.9157036015351929
EOS-2-30239,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2F)nc1,HSTYJSDOBXNYIG-UHFFFAOYSA-N,2,1,0.432,58,814,471.88,4.258,5,0.342,0.57,0.999,0.8766791172640669,0.834512713316428,0.4906106504009321,0.5660852580357755,0.6919719347543006
EOS-2-30240,FC(F)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccccc5Cl)s4)n23)cn1,MMLGSKVXOGSYQL-UHFFFAOYSA-N,2,1,0.483,4,534,471.88,4.875,5,0.348,0.71,1.0,0.630594201905284,0.8273079295456103,0.6335497909670345,0.6853796861078747,0.6942079021314509
EOS-2-30241,FC(F)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)ns4)n23)cc1,ZAEQUWRQZNQQHG-UHFFFAOYSA-N,2,1,0.494,27,343,471.88,4.875,5,0.326,0.78,1.0,0.6908111164416421,0.8157597148927421,0.7159978754026455,0.7552686587622507,0.7444593413748201
EOS-2-30242,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)c2)cc1F,HXCGWQGVSWHYAT-UHFFFAOYSA-N,2,1,0.456,37,503,471.88,4.258,5,0.365,0.76,1.0,0.5209803988760194,0.5963607703378795,0.5115139469536015,0.6733088890411898,0.5755410013021727
EOS-2-30243,FC(F)c1ccc(-c2nnc3cncc(OCc4csc(-c5cccnn5)n4)n23)cc1Cl,KSCSORKCTLZTHJ-UHFFFAOYSA-N,2,1,0.517,4,268,471.88,4.875,5,0.348,0.71,0.999,0.6511119868412035,0.787548831471455,0.7678620382427523,0.7659087793845522,0.7431079089849908
EOS-2-30244,Fc1nc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1cscn1,NAYAQUHNRVUHGR-UHFFFAOYSA-N,2,1,0.426,58,814,471.88,4.258,5,0.342,0.63,0.999,0.6936981701048591,0.7074566513604277,0.5913148516208622,0.6587279830032212,0.6627994140223425
EOS-2-30245,FC(F)c1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)cn1,WYNNOWZKYYTBKF-UHFFFAOYSA-N,2,1,0.506,27,441,471.88,4.875,5,0.348,0.75,1.0,0.727537523130697,0.7998766362826399,0.7215920773079295,0.6763587142759235,0.7313412377492976
EOS-2-30246,COc1cc(C(F)F)ccc1-c1nnc2cncc(-c3nnc(-c4ccc(Cl)cn4)s3)n12,BOTKMPHEEDNKQH-UHFFFAOYSA-N,2,1,0.352,22,140,471.88,4.971,5,0.357,0.63,0.275,0.37510280309780003,0.5483688575149065,0.7160064423274621,0.7290710026728805,0.5921372764032623
EOS-2-30247,FC(F)c1csc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)n1,KGDABJLAJHXBMW-UHFFFAOYSA-N,2,1,0.536,27,343,471.88,4.875,5,0.348,0.69,1.0,0.6511205537660202,0.8080066479336577,0.7607857583441848,0.7450825851552326,0.7412488862997739
EOS-2-30248,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ocnc4-c4c(F)cccc4Cl)n23)cc1,DKAHRNGFTMWYMI-UHFFFAOYSA-N,2,1,0.338,3,192,471.883,5.306,6,0.346,0.75,1.0,0.38665101775066824,0.44883832499485987,0.7368669042560483,0.782468645055171,0.5887062230141868
EOS-2-30249,N#Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)ccc1F,XOTOZEKNQQIWJJ-UHFFFAOYSA-N,2,1,0.43,11,503,471.883,4.534,5,0.335,0.68,1.0,0.8411178123500788,0.8483311630457131,0.8475430059625797,0.8642485093550819,0.8503101226783634
EOS-2-30250,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)ccc1F,XNVCFACFEKUGKO-UHFFFAOYSA-N,2,1,0.586,11,28,471.883,4.534,5,0.335,0.66,1.0,0.954997943938044,0.9640189157699952,0.834666917963128,0.8378795147693784,0.8978908231101363
EOS-2-30251,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)ccn2)cn1,MQWBDJQMUVCEHT-UHFFFAOYSA-N,2,1,0.568,11,752,471.883,4.534,5,0.358,0.71,1.0,0.9288516893975739,0.9466708930162429,0.8856486875471181,0.8834384209444178,0.9111524227263382
EOS-2-30252,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(Cl)nc5)nc4)n23)cc1F,JREIUCROXNNRLZ-UHFFFAOYSA-N,2,1,0.568,11,201,471.883,4.534,5,0.335,0.79,1.0,0.9800304982523473,0.9815554108697142,0.8962117058460695,0.8876276471797684,0.936356315536975
EOS-2-30253,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nnc6ccccn56)n34)ccc2Cl)cc1,CTLCURDYYLGTCG-UHFFFAOYSA-N,2,1,0.512,57,461,471.883,4.873,6,0.356,0.8,1.0,0.7945908436707559,0.9095675416352547,0.7560739496950175,0.8526574600781304,0.8282224487697897
EOS-2-30254,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nn2)ccc1Cl,RCNRAPBRHDFHRL-UHFFFAOYSA-N,2,1,0.545,19,691,471.883,4.534,5,0.358,0.73,0.993,0.9154787197587554,0.9444263587142759,0.867392570762799,0.8930590775135357,0.9050891816873415
EOS-2-30255,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)cnc1F,ZAQBWXJOLUGWMU-UHFFFAOYSA-N,2,1,0.651,84,73,471.883,4.534,5,0.335,0.73,1.0,0.9564628880816942,0.9714464395860462,0.8807655404016175,0.8820591460489343,0.922683503529573
EOS-2-30256,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cn2)ccc1Cl,OYMAVKAHRKERIR-UHFFFAOYSA-N,2,1,0.527,11,275,471.883,4.534,5,0.358,0.77,1.0,0.9453087519703927,0.9657580015077788,0.8674011376876156,0.8750085669248167,0.9133691145226509
EOS-2-30257,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)c(Cl)c6)c5)n34)cc2)o1,VGOKRKJTNIJEBE-UHFFFAOYSA-N,2,1,0.343,3,150,471.883,5.4,6,0.342,0.77,1.0,0.11433417860324858,0.3704852306216161,0.8616955657597148,0.862569392091015,0.5522710917688987
EOS-2-30258,Cn1c(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)nc2F)nc2ccccc21,OXDCXDOFUFYBHT-UHFFFAOYSA-N,2,1,0.484,57,616,471.883,5.325,6,0.323,0.73,1.0,0.5910749777259955,0.6201082859296827,0.6335583578918511,0.7237852100609965,0.6421317079021315
EOS-2-30259,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)c6F)c5)n34)cc2)o1,QGVBGCVUGQLLGP-UHFFFAOYSA-N,2,1,0.324,3,150,471.883,5.4,6,0.342,0.7,1.0,0.1362569392091015,0.36559351655129874,0.8427540949900624,0.8472688643684463,0.5479683537797272
EOS-2-30260,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)o5)cc4F)n23)cc1,MQFKOZXZZCKTIW-UHFFFAOYSA-N,2,1,0.333,9,867,471.883,5.306,6,0.346,0.65,1.0,0.38884415050373516,0.422323692687273,0.7900846412171887,0.7940254266328559,0.5988194777602631
EOS-2-30261,Cn1ccnc1-c1cc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)ccc1Cl,DZXNOLLPDFRVHX-UHFFFAOYSA-N,2,1,0.306,96,7,471.887,4.436,6,0.408,0.69,1.0,0.26259337948050165,0.40382770200808715,0.7081762730450277,0.7502398738948667,0.5312093071071208
EOS-2-30262,Cn1cc(-c2nnc3cncc(-c4ncn(-c5ccccc5Cl)n4)n23)c(-c2ccc(F)cc2)n1,ALJJPPIDSXXBHM-UHFFFAOYSA-N,2,1,0.322,3,118,471.887,4.232,6,0.382,0.71,0.749,0.03426769926667123,0.21485847440202865,0.4593071071208279,0.6269703927078336,0.33385091837434033
EOS-2-30263,Cn1ncc(-c2nnc3cncc(-c4cn(-c5ccccc5Cl)nn4)n23)c1-c1ccc(F)cc1,AJYKCAMSRKHGIR-UHFFFAOYSA-N,2,1,0.329,10,783,471.887,4.232,6,0.382,0.64,1.0,0.03175759029538757,0.22518161880611337,0.542217805496539,0.7021708587485436,0.37533196833664584
EOS-2-30264,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ncc(Cl)cc5F)c4)n23)cc1,AAOCECLIIXEWBT-UHFFFAOYSA-N,2,1,0.324,42,150,471.887,4.232,6,0.382,0.72,1.0,0.044436639024055924,0.23511925159344801,0.5724847508738263,0.6183692001918991,0.36760246042080735
EOS-2-30265,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)c(F)c1,ZFBBOPNAISJAGE-UHFFFAOYSA-N,2,1,0.33,42,151,471.887,4.232,6,0.357,0.69,1.0,0.040016105818655334,0.24564800219313276,0.6071893633061476,0.6504351997806868,0.3858221677746556
EOS-2-30266,Cc1nc(-c2ccc(F)cn2)c(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)[nH]1,ZKCGPJUGQOBSHE-UHFFFAOYSA-N,2,1,0.288,10,673,471.887,4.53,6,0.405,0.66,0.956,0.006159618943184154,0.06902371324789254,0.5388852717428552,0.653082379549037,0.3167877458707422
EOS-2-30267,Fc1ccccc1-n1nccc1Cn1cnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,UCMVFEOSULYCIC-UHFFFAOYSA-N,2,1,0.355,3,118,471.887,4.076,6,0.376,0.7,1.0,0.09172606401206224,0.47515591803166335,0.4155558220821054,0.5970889589472963,0.39488169076828183
EOS-2-30268,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)c6F)c5)n34)cc2)n[nH]1,DHQGJBPKWFAFGP-UHFFFAOYSA-N,2,1,0.309,3,150,471.887,4.53,6,0.405,0.68,1.0,0.035527037214721405,0.2506682201357001,0.6681516003015557,0.7105835789185114,0.41623260914262217
EOS-2-30269,Cn1cc(-c2cc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6)nn5)n34)ccc2Cl)cn1,KHHJRZYQVZRPOT-UHFFFAOYSA-N,2,1,0.318,10,783,471.887,4.232,6,0.382,0.65,1.0,0.04890857377835652,0.34651497498457956,0.7239822493317799,0.7917209238571722,0.4777816804879721
EOS-2-30270,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)cc(Cl)c5)c4)n23)cn1,PFMJSPDXZMUUCE-UHFFFAOYSA-N,2,1,0.326,10,151,471.887,4.232,6,0.382,0.71,0.849,0.041498183811938864,0.19575423206085943,0.6249571653759166,0.6763672812007402,0.3846442156123638
EOS-2-30271,Cn1cc(-c2cn(-c3cncc4nnc(-c5ccc(Cl)c(-c6cccc(F)c6)c5)n34)nn2)cn1,FPILWEDIMHSZEY-UHFFFAOYSA-N,2,1,0.495,3,783,471.887,4.232,6,0.382,0.72,1.0,0.008292783222534439,0.3269052840792269,0.6981872387087931,0.7917294907819888,0.4562786991981358
EOS-2-30272,Cn1cc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(-c2ccc(Cl)c(F)c2)n1,YDHGIRYXGWXPRK-UHFFFAOYSA-N,2,1,0.302,9,7,471.887,4.436,6,0.408,0.67,1.0,0.18581659927352479,0.3607874717291481,0.6820300185045576,0.7426838462065657,0.49282948392844905
EOS-2-30273,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3cn(-c4cc(Cl)ccc4F)nn3)n12,MYCJCFTWOARLAR-UHFFFAOYSA-N,2,1,0.291,10,783,471.887,4.232,6,0.382,0.67,0.994,0.012653347954218354,0.1427763689945857,0.4486841203481598,0.6183777671167158,0.30562290110341994
EOS-2-30274,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5oc(CF)nc5Cl)n34)c2)s1,QDWRWSRFUOLBDS-UHFFFAOYSA-N,2,1,0.523,72,628,471.905,4.351,5,0.345,0.55,1.0,0.6421681173326023,0.6632427523816051,0.09758584058666302,0.13922109519566855,0.38555445137413474
EOS-2-30275,Cn1cc(COc2cncc3nnc(-c4ccc(CO)c(F)c4)n23)c(-c2nc(Cl)cs2)n1,BWXUYRGSINAXFF-UHFFFAOYSA-N,2,1,0.494,16,97,471.905,3.512,5,0.404,0.55,1.0,0.5007881570831334,0.6156192173257488,0.44165067507367556,0.4721403604961963,0.5075496024946885
EOS-2-30276,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cc(-c6cnn(C)c6)ccc5Cl)n34)o2)n1C,VWQKJHPFMHTCGW-UHFFFAOYSA-N,2,1,0.321,98,794,471.912,4.209,6,0.379,0.7,0.857,0.11434274552806524,0.28678637516277156,0.2758378452470701,0.31965766568432596,0.24915615790555823
EOS-2-30277,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc6ccccc6n5)c4)n23)sn1,DTBFSRJNMRDBEV-UHFFFAOYSA-N,2,1,0.432,28,891,471.933,5.09,6,0.346,0.7,1.0,0.6278185182646837,0.6291635254609006,0.46646048934274553,0.5529607292166404,0.5691008155712426
EOS-2-30278,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cc2Cl)s1,FCPGNUQCRGCSLZ-UHFFFAOYSA-N,2,1,0.329,9,38,471.933,5.594,6,0.33,0.73,1.0,0.28951065725447195,0.42233225961208964,0.5656312110204921,0.6269789596326503,0.47611327187992597
EOS-2-30279,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnnc6ccccc56)s4)n23)cc1,GWHQRSGFZIQEKN-UHFFFAOYSA-N,2,1,0.505,1,177,471.933,5.09,6,0.346,0.8,1.0,0.6027088616270304,0.8693372626961826,0.5218285244328695,0.6388013158796518,0.6581689911589336
EOS-2-30280,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)o5)n34)nc2)s1,XONWBEKJFIARBS-UHFFFAOYSA-N,2,1,0.312,32,572,471.933,5.594,6,0.33,0.63,1.0,0.10879994517168118,0.2971780549653896,0.445197381947776,0.5464841340552395,0.3494148790350216
EOS-2-30281,Cc1nc(-c2cccc(Cl)c2)c(-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)s1,FHOFSAMTTVEMNF-UHFFFAOYSA-N,2,1,0.347,32,20,471.933,5.594,6,0.33,0.67,0.979,0.13347268864368447,0.30196696593790695,0.3757453224590501,0.4993746144883833,0.3276398978822562
EOS-2-30282,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)c6)c5)n34)nc2)s1,GTLXEIRHLHGGDX-UHFFFAOYSA-N,2,1,0.305,10,673,471.937,4.519,6,0.372,0.71,0.709,0.001387841820300185,0.1089541498183812,0.2939397573846892,0.3963916112672195,0.2001683400726475
EOS-2-30283,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4scnc4-c4cccc(Cl)c4)n23)nc1,XARCMURDBNJYOV-UHFFFAOYSA-N,2,1,0.349,32,572,471.937,4.426,6,0.375,0.68,1.0,0.10880851209649785,0.20989822493317797,0.28689774518538824,0.41841717497087244,0.25600541429648416
EOS-2-30284,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,QZNQAOABIGESCS-UHFFFAOYSA-N,2,1,0.318,8,474,471.937,4.426,6,0.351,0.62,1.0,0.15006682201357002,0.31241861421424166,0.24295798780069905,0.37101637996024944,0.26911495099719007
EOS-2-30285,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)c6)nn5)n34)nc2)cs1,QLJPVLBQNKFERA-UHFFFAOYSA-N,2,1,0.302,10,37,471.937,4.519,6,0.372,0.73,0.997,0.006168185868000823,0.10896271674319787,0.3196490987595093,0.41218902062915497,0.21174225549996573
EOS-2-30286,Cn1nccc1-c1ccc(Cl)c(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)c1,NTMPSOMMFAJHAW-UHFFFAOYSA-N,2,1,0.317,98,572,471.937,4.426,6,0.375,0.58,1.0,0.06989753957919265,0.25067678706051677,0.48369714207388115,0.539844767322322,0.33602905900897817
EOS-2-30287,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6nccs6)nn5)n34)c(Cl)c2)n1,CYZZHYQOCUNTPI-UHFFFAOYSA-N,2,1,0.312,10,783,471.937,4.519,6,0.372,0.73,0.996,0.02260811459118635,0.16974504831745596,0.27584641217188677,0.3679751216503324,0.20904367418271536
EOS-2-30288,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(-c6nc[nH]n6)c5)n34)nc2)cs1,WNDKUFVBIGNSFS-UHFFFAOYSA-N,2,1,0.299,32,154,471.937,4.724,6,0.396,0.72,0.999,0.21619491467342883,0.4313018298951408,0.41556438900692205,0.46272531012267837,0.3814466109245426
EOS-2-30289,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(Cl)ccn6)cn5)n34)cc2)s1,GVGSOYBOXPNDLZ-UHFFFAOYSA-N,2,1,0.326,38,424,471.937,4.519,6,0.372,0.64,1.0,0.019498320882735933,0.15028956205880337,0.3159224864642588,0.3837296963881845,0.21736001644849565
EOS-2-30290,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)c(Cl)c1,OELNYRNNMVGMSI-UHFFFAOYSA-N,2,1,0.329,9,340,471.937,4.426,6,0.375,0.77,1.0,0.07788191350832704,0.26061441984785144,0.4452059488725927,0.5434685765197724,0.3317927146871359
EOS-2-30291,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)s3)n12,MJZSIWHNHFXJPQ-UHFFFAOYSA-N,2,1,0.325,76,541,471.937,4.426,6,0.375,0.69,0.783,0.07789048043314371,0.2004489068603934,0.10797752038928106,0.21235693235556163,0.14966846000959494
EOS-2-30292,Cn1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)nc1Cl,QBUJFURCBTWMKV-UHFFFAOYSA-N,2,1,0.329,9,98,471.937,4.426,6,0.375,0.65,1.0,0.08229387978891098,0.24072202042354876,0.31965766568432596,0.39053183469261876,0.2583013501473511
EOS-2-30293,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5Cl)n34)nc2)cs1,DKDMBGHSVZGGPO-UHFFFAOYSA-N,2,1,0.276,96,154,471.937,4.724,6,0.396,0.68,0.991,0.1607669111095881,0.3269138510040436,0.4192995682269892,0.45965835103831126,0.34165967034473305
EOS-2-30294,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cn5)n34)s2)n[nH]1,STDHSMDSOYWEEZ-UHFFFAOYSA-N,2,1,0.247,76,272,471.937,4.724,6,0.396,0.64,0.152,0.10394249880063053,0.2506853539853334,0.3378795147693784,0.39335891988211913,0.2714665718593654
EOS-2-30295,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5Cl)n34)cn2)n1,YRNBOEBWOSNVEW-UHFFFAOYSA-N,2,1,0.303,42,219,471.937,4.426,6,0.375,0.68,1.0,0.16628401069152218,0.27122883969570283,0.35306867246933044,0.48109279692961415,0.3179185799465424
EOS-2-30296,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6Cl)n5)n34)cc2)s1,IFTRKBIZJHNVHV-UHFFFAOYSA-N,2,1,0.31,3,289,471.937,4.519,6,0.372,0.69,1.0,0.0342762661914879,0.20990679185799466,0.21431875813857856,0.3290213145089439,0.19688078267425124
EOS-2-30297,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1ccc(C)nn1,WGKZAQYCWBVCSR-UHFFFAOYSA-N,2,1,0.576,19,54,471.952,4.789,5,0.337,0.72,0.969,0.6221729148104996,0.7257984373929134,0.3642485093550819,0.38079124117606744,0.5232527756836406
EOS-2-30298,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5OC5CCCC5)n34)cn2)n1,LAPKIAQPHWMOCU-UHFFFAOYSA-N,2,1,0.309,52,985,471.952,5.229,6,0.349,0.67,1.0,0.26260194640531836,0.40383626893290386,0.20058597765746009,0.4152645466383387,0.32057218490850525
EOS-2-30299,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cc(Cl)ccc5OC5CCCC5)n34)nc2)n[nH]1,DSHKVOGTOLXKKB-UHFFFAOYSA-N,2,1,0.3,52,523,471.952,5.527,6,0.362,0.65,0.027,0.33088033719416077,0.41327702008087175,0.22481324103899664,0.4471763415804263,0.3540367349736139
EOS-2-30300,COc1cc(-c2nnc3cncc(OCc4nnc(-c5nc(C)cs5)s4)n23)ccc1Cl,RELMYGQLLYTVOP-UHFFFAOYSA-N,2,1,0.484,4,67,471.955,4.316,5,0.361,0.73,1.0,0.5108114591186348,0.712168460009595,0.08586628743746146,0.10769481187033103,0.3541352546090055
EOS-2-30301,COc1cc(-c2nnc3cncc(OCCc4nnsc4Cl)n23)ccc1-c1nccs1,DSHAZWPUQBGHPA-UHFFFAOYSA-N,2,1,0.5,15,777,471.955,4.05,5,0.35,0.68,1.0,0.5182304160098691,0.6538962374066205,0.09063806456034541,0.11486532794188198,0.3444075114796793
EOS-2-30302,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)s1,GTGDBALNZHXUTH-UHFFFAOYSA-N,2,1,0.474,58,954,471.955,4.05,5,0.35,0.67,0.997,0.6759389349599068,0.7446199712151326,0.09759440751147969,0.112492289767665,0.40766140086354596
EOS-2-30303,CN=c1[nH]nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)s1,SLSPTDPFPWZBBT-UHFFFAOYSA-N,2,1,0.375,31,194,471.959,2.9,5,0.404,0.5,0.001,0.4759440751147968,0.2506939209101501,0.03786580768967172,0.04718662189020629,0.20292260640120624
EOS-2-30304,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c(F)c2)cs1,RJTBYZZJNJGCRF-UHFFFAOYSA-N,2,1,0.506,11,684,471.97,5.699,5,0.318,0.79,1.0,0.8986875471180865,0.9053012130765541,0.6544359536700706,0.6793228702624906,0.7844368960318004
EOS-2-30305,Cc1c(-c2nnc3cncc(-c4ccc(-n5cccc5)s4)n23)c(-c2cccc(Cl)c2)nn1C,CPFCKHGDEDSKJE-UHFFFAOYSA-N,2,1,0.326,10,140,471.977,5.673,6,0.332,0.57,1.0,0.0013964087451168528,0.15804262901788774,0.3757538893838668,0.5031097937084504,0.2595756802138305
EOS-2-30306,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)s2)cc1,HNLJGUIAQJGLSO-UHFFFAOYSA-N,2,1,0.333,32,20,471.998,6.964,6,0.278,0.8,1.0,0.1689140566102392,0.36079603865396476,0.7746470426975532,0.8576776780206977,0.5405087039956137
EOS-2-30307,CC1(n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cn5)n34)cn2)CC1,RJWDBQPGLJRRFH-UHFFFAOYSA-N,2,1,0.354,82,523,427.899,4.879,6,0.408,0.63,0.999,0.08438420944417792,0.2148670413268453,0.2609056952916181,0.5594630251524912,0.2799049928037831
EOS-2-30308,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)nc4)n23)cc1,KSZUKXRQJWWGMN-UHFFFAOYSA-N,2,1,0.753,79,660,427.895,5.128,5,0.376,0.78,1.0,0.9876207936399151,0.9897710917688987,0.7878658076896717,0.8298351723665273,0.8987732163662532
EOS-2-30310,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nc1,OTLDBOHWMCRCBG-UHFFFAOYSA-N,2,1,0.705,79,824,427.895,5.128,5,0.376,0.8,1.0,0.9376756219587417,0.9265985881707902,0.792140703173189,0.8238126242204098,0.8700568843807827
EOS-2-30311,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,QNINEOVHGJAYQV-UHFFFAOYSA-N,2,1,0.625,79,198,427.895,5.128,5,0.376,0.82,1.0,0.7572133506956343,0.8607617709546981,0.7839078884243712,0.8418460009594956,0.8109322527585497
EOS-2-30312,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cn1,KQOSFBOOPAINDE-UHFFFAOYSA-N,2,1,0.739,79,650,427.895,5.128,5,0.351,0.8,1.0,0.9803988760194641,0.9743763278733466,0.8411949146734288,0.8558100884106641,0.9129450517442259
EOS-2-30313,Clc1ccccc1CCOc1cncc2nnc(-c3ccccc3-c3ccccn3)n12,NANKTNVSBNXAOS-UHFFFAOYSA-N,2,1,0.692,79,824,427.895,5.128,5,0.376,0.8,1.0,0.8084949626482077,0.8909858817079022,0.767870605167569,0.8198290041806593,0.8217951134260845
EOS-2-30314,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,SPHPIXAXDCONPJ-UHFFFAOYSA-N,2,1,0.612,12,650,427.895,5.128,5,0.376,0.79,1.0,0.9632735933109451,0.9551607155095607,0.7770457816462203,0.8317198958261942,0.88179999657323
EOS-2-30315,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnc5)cc4)n23)cc1,XZPRQBMXBUHFHR-UHFFFAOYSA-N,2,1,0.797,91,883,427.895,5.128,5,0.376,0.84,1.0,0.9898139263929819,0.992264066890549,0.8659790281680488,0.8849376327873346,0.9332486635597286
EOS-2-30316,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(Cl)c5)n4)n23)cc1,KHRXYQIQDOLKIA-UHFFFAOYSA-N,2,1,0.553,1,347,427.895,5.394,5,0.376,0.82,1.0,0.7945994105955726,0.8693458296209993,0.820223082722226,0.8317284627510109,0.8289741964224522
EOS-2-30317,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)nc4)n23)cc1,PQCUGDUVIUQJDK-UHFFFAOYSA-N,2,1,0.573,1,709,427.895,5.394,5,0.376,0.84,1.0,0.9385922829141251,0.857386402576931,0.8674097046124323,0.8674525392365157,0.882710232335001
EOS-2-30318,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,XVAKKTUEGSZXMO-UHFFFAOYSA-N,2,1,0.767,91,883,427.895,5.128,5,0.376,0.8,1.0,0.9619885545884449,0.9615002398738949,0.8556130491398808,0.880671304228634,0.9149432869577137
EOS-2-30319,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cc1,GKTZVKLUFZSPJG-UHFFFAOYSA-N,2,1,0.642,57,23,427.895,5.128,5,0.376,0.79,1.0,0.8787094784456172,0.9248423685833733,0.7861524227263381,0.8338359262559112,0.8558850490028099
EOS-2-30321,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,YCNSTZCWHUIEMW-UHFFFAOYSA-N,2,1,0.686,12,650,427.895,5.128,5,0.351,0.76,1.0,0.9741878555273799,0.9686793228702625,0.8202316496470426,0.8472774312932629,0.902594064834487
EOS-2-30322,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cc1,YVAXXWDYMMKRBA-UHFFFAOYSA-N,2,1,0.675,57,883,427.895,5.128,5,0.376,0.79,1.0,0.9017031046535535,0.9374528819135083,0.8396785689808787,0.8722328832842163,0.8877668597080391
EOS-2-30323,Clc1ccccc1CCOc1cncc2nnc(-c3cccc(-c4ccccn4)c3)n12,QOYDDBBMIYONEM-UHFFFAOYSA-N,2,1,0.718,79,824,427.895,5.128,5,0.376,0.82,1.0,0.8916712356932356,0.9053097800013707,0.8067558769104243,0.8418545678843122,0.8613978651223356
EOS-2-30324,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cn1,ITYDYLJTJBUFJV-UHFFFAOYSA-N,2,1,0.708,79,824,427.895,5.128,5,0.351,0.79,1.0,0.9111866904256049,0.9192738674525393,0.8314029196079775,0.8507898704680967,0.8781633369885546
EOS-2-30325,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccncc5)c4)n23)cc1,POONTHUXSNQLOD-UHFFFAOYSA-N,2,1,0.761,91,660,427.895,5.128,5,0.376,0.85,1.0,0.8411263792748955,0.9004523336303201,0.8659875950928655,0.8834469878692345,0.8727533239668289
EOS-2-30327,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,IVPYNZQTFSAEHQ-UHFFFAOYSA-N,2,1,0.764,79,660,427.895,5.128,5,0.376,0.85,1.0,0.9728342814063464,0.9769292714687136,0.8314114865327942,0.8491707216777465,0.9075864402714001
EOS-2-30328,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)cc1,WFIGLQKSGNNLHX-UHFFFAOYSA-N,2,1,0.753,79,824,427.895,5.128,5,0.376,0.84,1.0,0.9386008498389418,0.9753101226783634,0.8048197519018573,0.8436450551709959,0.8905939448975395
EOS-2-30329,Cn1nc(-c2nnc3ccccn23)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,JJILFPYKZKTIRC-UHFFFAOYSA-N,2,1,0.39,22,39,427.859,3.555,6,0.429,0.8,1.0,0.17706120211089027,0.38014872181481735,0.26431533136865193,0.4533530943732438,0.3187195874169008
EOS-2-30330,Cn1nc(-c2cccc(C#N)c2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,GYPGAHUHEPBAGW-UHFFFAOYSA-N,2,1,0.488,43,417,427.855,4.509,5,0.419,0.77,1.0,0.7214807072853129,0.8573949695017477,0.8029435953670071,0.8218593653622096,0.8009196593790694
EOS-2-30331,N#Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cc3)n12,WJNDOIZQYYRNBL-UHFFFAOYSA-N,2,1,0.575,43,230,427.855,4.081,5,0.419,0.73,1.0,0.5544856418340073,0.7305359468165308,0.852588924679597,0.852666027002947,0.7475691350832706
EOS-2-30332,N#Cc1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)n1,DHPQKJQNBHYEJW-UHFFFAOYSA-N,2,1,0.641,43,230,427.855,4.081,5,0.419,0.73,1.0,0.757221917620451,0.8855972859982181,0.8256630799808101,0.8317370296758275,0.8250548283188267
EOS-2-30333,N#Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,JGWPHQGZHZFUIQ-UHFFFAOYSA-N,2,1,0.633,43,230,427.855,4.081,5,0.419,0.58,1.0,0.9196508121444726,0.8856058529230347,0.8659961620176821,0.8610187786991982,0.8830679014460969
EOS-2-30334,Cn1cc(-c2cncc3nnc(-c4ccc(Cl)cc4Oc4cccc(C#N)c4)n23)cn1,QKSGDRUSJSQECZ-UHFFFAOYSA-N,2,1,0.361,96,586,427.855,4.509,5,0.419,0.81,1.0,0.24127887053663216,0.46232266465629496,0.867418271537249,0.872241450209033,0.6108153142348023
EOS-2-30335,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4ccnn4)s3)n12,LZEPDIRBTGJWPY-UHFFFAOYSA-N,2,1,0.529,4,10,427.852,3.805,5,0.424,0.69,1.0,0.3844236172983346,0.6244688506613666,0.5785415667192104,0.6559437324378041,0.5608444417791789
EOS-2-30336,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)sc1Cl,VJOZXVAGQZXKCS-UHFFFAOYSA-N,2,1,0.518,47,164,427.852,4.009,5,0.455,0.65,1.0,0.8411349461997122,0.770526351860736,0.6516602700294702,0.6618206428620382,0.7312855527379892
EOS-2-30337,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cc4F)n23)cc1,XRZHGLCRHFZULY-UHFFFAOYSA-N,2,1,0.473,96,3,427.83,4.579,5,0.418,0.86,1.0,0.5082842162977178,0.6828781440614077,0.9302737989171407,0.9486070180248098,0.767510794325269
EOS-2-30338,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(Cl)n5)c(F)c4)n23)cc1,VZRHLGCNSVECQA-UHFFFAOYSA-N,2,1,0.5,96,558,427.83,4.579,5,0.418,0.82,1.0,0.4932149955451991,0.6682458364745391,0.9310448221506408,0.9486155849496265,0.7602803097800013
EOS-2-30339,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)nc4)n23)ccc1Cl,MXSSHLGRXUVMRQ-UHFFFAOYSA-N,2,1,0.362,96,680,427.83,4.579,5,0.391,0.85,1.0,0.3975481461174697,0.6682544033993557,0.940271400178192,0.9500119936947433,0.7390214858474402
EOS-2-30340,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4F)n23)ccc1Cl,LBPXAQVNERPDNU-UHFFFAOYSA-N,2,1,0.359,96,46,427.83,4.579,5,0.418,0.76,1.0,0.42416558152285655,0.6878897950791584,0.9467137276403262,0.9582962099924611,0.7542663285587006
EOS-2-30341,N#Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)n1,GZMSZUOLJWUKQN-UHFFFAOYSA-N,2,1,0.398,96,558,427.83,4.579,5,0.418,0.78,1.0,0.3866595846754849,0.7532982660544171,0.9110838873278048,0.9366047563566582,0.7469116236035912
EOS-2-30342,N#Cc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cnn2)cc1,FHPQBTRVEQXIPU-UHFFFAOYSA-N,2,1,0.429,96,46,427.83,4.579,5,0.418,0.65,1.0,0.4355510246042081,0.7875573983962717,0.9490439311904598,0.9653039544924954,0.7843640771708588
EOS-2-30343,N#Cc1cc(F)cc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1,AHTXJKUGDBMWMV-UHFFFAOYSA-N,2,1,0.38,3,558,427.83,4.579,5,0.418,0.78,1.0,0.3612072510451648,0.5158231101363855,0.9225378658076897,0.9440836817216092,0.6859129771777124
EOS-2-30344,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)s2)ccn1,YSIPFAFGRLCIAV-UHFFFAOYSA-N,2,1,0.378,45,730,427.827,4.303,5,0.399,0.76,0.996,0.23281474881776437,0.5622301418682749,0.6655129874580221,0.8114676855595915,0.5680063909259132
EOS-2-30345,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)no1,WHGYZKOBXADOKR-UHFFFAOYSA-N,2,1,0.536,36,728,427.787,2.341,5,0.415,0.71,1.0,0.5520526351860736,0.692695839901309,0.19697930230964292,0.3105510246042081,0.4380697005003084
EOS-2-30346,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)no1,XYJXYGRCRTZJAX-UHFFFAOYSA-N,2,1,0.518,36,728,427.787,2.341,5,0.415,0.67,1.0,0.4380439997258584,0.5483774244397231,0.13336988554588444,0.25627098896580086,0.3440155746693167
EOS-2-30347,Cn1nc(-c2nnco2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,UKASINUEPQCYFM-UHFFFAOYSA-N,2,1,0.506,36,404,427.787,2.341,5,0.415,0.62,0.99,0.4982609142622164,0.6632513193064218,0.07012027962442602,0.16207765060653828,0.34842754094990064
EOS-2-30348,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)no1,XTYQDPXCBVTMME-UHFFFAOYSA-N,2,1,0.523,36,728,427.787,2.341,5,0.415,0.71,1.0,0.4808100884106641,0.6583938729353711,0.16428791720923858,0.2858183126584881,0.3973275478034405
EOS-2-30349,Cn1cc(Cl)nc1COc1cncc2nnc(-c3ccc(-c4ncon4)c(F)n3)n12,QQKAVNORQUOAGJ-UHFFFAOYSA-N,2,1,0.374,7,223,427.787,2.341,5,0.389,0.65,0.946,0.48330306353231445,0.47084675484887945,0.11924302652319924,0.15394763895552052,0.3068351209649784
EOS-2-30350,Cc1nnc(-c2ncoc2COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)o1,YUGWJZLAMKLIJJ-UHFFFAOYSA-N,2,1,0.554,16,391,427.783,3.509,5,0.415,0.71,1.0,0.8968970598314029,0.880260091837434,0.2977006373792064,0.3807998081008841,0.6139143992872319
EOS-2-30351,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cc1F,HLOWTTLVHMFBEP-UHFFFAOYSA-N,2,1,0.363,45,730,427.777,4.11,5,0.433,0.6,1.0,0.1634826262764718,0.5387653347954219,0.9167380577068056,0.9558460694948941,0.6437080220683984
EOS-2-30352,Fc1ccc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1F,FQLSGBUMCYRFDP-UHFFFAOYSA-N,2,1,0.411,45,730,427.777,4.11,5,0.405,0.64,1.0,0.14423274621341922,0.520603454184086,0.9138253032691385,0.9571225412925776,0.6339460112398053
EOS-2-30353,Fc1ccc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nn2)c1,PCQLJMFVVPOLJZ-UHFFFAOYSA-N,2,1,0.35,45,730,427.777,4.11,5,0.433,0.73,1.0,0.11708416146939894,0.49806387499143306,0.9341888835583579,0.9673685833733123,0.6291763758481256
EOS-2-30354,Fc1cc(F)cc(-c2cn(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)c1,ACYHRNGFUBGWSW-UHFFFAOYSA-N,2,1,0.53,45,730,427.777,4.11,5,0.433,0.69,1.0,0.04719518881502296,0.41328558700568846,0.9167466246316223,0.9618429168665615,0.5847675793297238
EOS-2-30355,Fc1ccc(-c2ncoc2-c2cncc3nnc(-c4cc(Cl)ccc4F)n23)c(F)c1,PBFFGYVSKPPXNR-UHFFFAOYSA-N,2,1,0.364,45,533,427.773,5.184,5,0.396,0.84,1.0,0.45884449318072784,0.6632598862312384,0.9629480501679117,0.9811870331025975,0.7665598656706188
EOS-2-30356,Fc1ccc(-c2ncoc2-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1F,QVJZUXFYFUGWAW-UHFFFAOYSA-N,2,1,0.412,45,102,427.773,5.184,5,0.396,0.84,1.0,0.4736224384894798,0.7576502638612843,0.9684822835994791,0.983183126584881,0.7957345281337811
EOS-2-30357,Fc1cc(Cl)cc(-c2nnc3cncc(-c4ocnc4-c4ccc(F)c(F)c4)n23)c1,MIDNDEMIQGHSFU-UHFFFAOYSA-N,2,1,0.441,45,102,427.773,5.184,5,0.396,0.76,1.0,0.4266756904941402,0.6584024398601878,0.9680625042834624,0.9826348433966143,0.7589438695086012
EOS-2-30358,Fc1c[nH]c(-c2cnc(Oc3cncc4nnc(-c5cnc(Cl)nc5)n34)c(F)c2)n1,JKHFZXKKSORCGN-UHFFFAOYSA-N,2,1,0.344,2,434,427.762,3.09,5,0.434,0.7,0.999,0.7335857720512645,0.77460420807347,0.5388938386676718,0.5564217668425742,0.6508763964087451
EOS-2-30359,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)cc1Cl,AQELQGYSIJXJBK-UHFFFAOYSA-N,2,1,0.512,13,573,427.758,3.96,5,0.397,0.68,1.0,0.8186810362552258,0.7533068329792337,0.7560825166198342,0.804982523473374,0.7832632273319169
EOS-2-30360,Fc1cc(Cl)ccc1-c1nnc2cncc(Oc3ncc(-c4nnco4)cc3F)n12,YMGCXQWHBOHYOS-UHFFFAOYSA-N,2,1,0.471,13,706,427.758,3.96,5,0.424,0.76,1.0,0.7364042903159482,0.8661932012884654,0.7560910835446508,0.7917380577068056,0.7876066582139675
EOS-2-30361,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4nnco4)c(F)n3)n12,IBMIBUPIGNBYKX-UHFFFAOYSA-N,2,1,0.4,13,251,427.758,3.96,5,0.397,0.64,1.0,0.6636196970735385,0.687898362003975,0.7344595983825646,0.7847131793571379,0.717672709204304
EOS-2-30362,Fc1cc(Cl)cnc1-c1nnc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,ZFPFBLXFDJSRCF-UHFFFAOYSA-N,2,1,0.487,34,706,472.242,5.021,5,0.363,0.83,1.0,0.9196593790692893,0.9570368720444109,0.842762661914879,0.9102614625454047,0.907430093893496
EOS-2-30363,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cnc(Cl)nc4)c(F)n3)n12,ZYCSNEDJBPZHCC-UHFFFAOYSA-N,2,1,0.396,13,110,472.242,5.021,5,0.268,0.64,1.0,0.7946079775203893,0.8379223493934618,0.9138338701939552,0.9348913713933247,0.8703138921252827
EOS-2-30364,Fc1ncc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)cc(Cl)c5)n34)nc2F)cn1,AYLWLYFZQZDKOE-UHFFFAOYSA-N,2,1,0.404,13,573,472.242,5.021,5,0.268,0.64,1.0,0.8549019943800973,0.8662017682132822,0.9110924542526215,0.9366133232814748,0.892202385031869
EOS-2-30365,Fc1ccc(-c2nnc3cncc(-c4cnn(CCOC(F)(F)F)n4)n23)cc1Cl,HQXZZSKJCXFEMG-UHFFFAOYSA-N,2,1,0.37,68,861,427.749,3.379,4,0.454,0.67,1.0,0.3932218490850524,0.5963693372626961,0.9349170721677746,0.9400572270577754,0.7161413713933247
EOS-2-30366,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)cnc1Cl,WOFJNNCCZYJEBN-UHFFFAOYSA-N,2,1,0.552,37,919,472.267,4.304,5,0.337,0.62,1.0,0.9210129531903228,0.8982934685765198,0.7700037694469193,0.8160167226372421,0.8513317284627511
EOS-2-30367,Fc1cc(Cl)c(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)c1,VKRIDTSOHUXALX-UHFFFAOYSA-N,2,1,0.5,84,35,472.267,4.304,5,0.337,0.69,1.0,0.7306815845384141,0.7400280995133987,0.8010246042080734,0.8436536220958125,0.7788469775889246
EOS-2-30368,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5F)n34)nc2)no1,MGWOATXRZYAQSD-UHFFFAOYSA-N,2,1,0.512,73,71,472.267,4.57,5,0.343,0.66,1.0,0.6481735316290864,0.7955075046261394,0.6981958056336097,0.7346909053526146,0.7191419368103625
EOS-2-30369,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)cc2Cl)o1,GNRZIRWZLMBEKZ-UHFFFAOYSA-N,2,1,0.489,16,772,472.267,4.57,5,0.343,0.73,1.0,0.8240867658145432,0.8413662531697622,0.7518161880611336,0.7870176821328216,0.8010717222945651
EOS-2-30370,Fc1cc(Cl)cnc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)c(Cl)c3)n12,KWFCJNXGZUKZBI-UHFFFAOYSA-N,2,1,0.523,73,325,472.267,4.304,5,0.36,0.65,1.0,0.8706051675690494,0.8042029333150572,0.6602700294702214,0.7552772256870673,0.7725888390103488
EOS-2-30371,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)ccc1-c1nnco1,MRUMVQGCYQHAFC-UHFFFAOYSA-N,2,1,0.495,19,442,472.267,4.304,5,0.337,0.61,1.0,0.8214224521965595,0.7533153999040504,0.6928072099239257,0.7753837982317867,0.7607322150640806
EOS-2-30372,Fc1cc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)ccc1-c1nn[nH]n1,PTURPMRBUBHABP-UHFFFAOYSA-N,2,1,0.585,37,6,472.271,3.434,5,0.399,0.67,1.0,0.9095761085600713,0.8936159276266191,0.6249657323007334,0.739968131039682,0.7920314748817764
EOS-2-30373,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)nc2Cl)n1,ROMBVWLFVDJWRM-UHFFFAOYSA-N,2,1,0.411,46,223,472.271,3.402,5,0.358,0.54,0.662,0.44971215132615994,0.5071876499211843,0.36790658625179906,0.47214892742101294,0.449238828730039
EOS-2-30374,Fn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnccc5Cl)nn4)n23)n1,XHVVFQVOQSKHAM-UHFFFAOYSA-N,2,1,0.4,54,411,472.271,3.501,5,0.37,0.62,1.0,0.4833116304571311,0.5342762661914879,0.37576245630868343,0.5564303337673908,0.48744517168117335
EOS-2-30375,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cnc(Cl)c(F)c1,WYVPHUXNSCYHJO-UHFFFAOYSA-N,2,1,0.426,95,694,472.271,3.402,5,0.358,0.66,0.674,0.33815365636351175,0.43131039681995753,0.4664690562675622,0.5564389006922075,0.44809300253580975
EOS-2-30376,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)c(Cl)cn4)n23)c(F)c1,QJTLGRKURUHABV-UHFFFAOYSA-N,2,1,0.506,36,728,472.271,3.402,5,0.383,0.66,1.0,0.5314149133027208,0.7258070043177302,0.5455589061750394,0.6618292097868549,0.6161525083955863
EOS-2-30377,Cn1cc(-c2nnc3cncc(Oc4cccc(F)c4F)n23)cc1-c1ccc(Cl)c(Cl)c1,ZJWCDKVZXKOAEO-UHFFFAOYSA-N,2,1,0.466,13,236,472.282,6.174,5,0.314,0.72,1.0,0.7028904804331437,0.8379309163182784,0.9862500856692482,0.9915273113563156,0.8796496984442465
EOS-2-30378,Cc1nnc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)s1,NKJQBOTUFBYRSR-UHFFFAOYSA-N,2,1,0.422,51,196,472.321,3.689,5,0.353,0.61,0.997,0.5209889658008361,0.6387841820300185,0.06789287917209239,0.1515317661572202,0.3447994482900418
EOS-2-30379,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(Cl)n2)s1,RFGGFUGCCDSPSN-UHFFFAOYSA-N,2,1,0.449,53,208,472.321,3.689,5,0.353,0.58,0.998,0.5182389829346857,0.6244774175861832,0.10264889315331369,0.18928620382427525,0.35866287437461447
EOS-2-30380,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(Cl)n2)s1,GROQBPAPHYQUBJ-UHFFFAOYSA-N,2,1,0.416,51,924,472.321,3.689,5,0.353,0.6,1.0,0.5182475498595024,0.6105818655335481,0.08349324926324446,0.15931910081557124,0.34291044136796656
EOS-2-30381,Fc1sc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nc1-c1ccccc1,GTKABDYFZWDZCA-UHFFFAOYSA-N,2,1,0.573,57,461,472.332,5.94,5,0.317,0.76,1.0,0.7946165444452059,0.917320608594339,0.7878743746144884,0.8834555547940511,0.8458167706120211
EOS-2-30382,Fc1cc(-c2cnsc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,CJGBFYXDKBUNAD-UHFFFAOYSA-N,2,1,0.685,57,13,472.332,5.94,5,0.317,0.7,1.0,0.9573110136385443,0.9579021314508944,0.9287060516756905,0.9601980673017614,0.9510293160167227
EOS-2-30383,Fc1cscc1COc1cncc2nnc(-c3ccc(Cl)c(-c4ccc(Cl)nc4)c3)n12,QWIXFFVKLFFPCJ-UHFFFAOYSA-N,2,1,0.543,59,89,472.332,5.94,5,0.296,0.71,1.0,0.9261359742306902,0.945531492015626,0.9541669522308273,0.967865465012679,0.9484249708724557
EOS-2-30384,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1Cl,SEHLNFKGCRXEIJ-UHFFFAOYSA-N,2,1,0.541,59,31,472.332,5.94,5,0.317,0.71,0.997,0.8364831060242616,0.8856144198478514,0.9062435748063875,0.9391405661023919,0.8918704166952232
EOS-2-30385,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1csc(Cl)n1,KYWTWBKVWJVWTC-UHFFFAOYSA-N,2,1,0.699,57,798,472.332,5.94,5,0.317,0.73,1.0,0.9863957233911316,0.9731512576245631,0.9355424576793914,0.9538671098622439,0.9622391371393325
EOS-2-30386,Fc1ccc(-c2ccnc(Cl)c2)cc1-c1nnc2cncc(OCc3ccc(Cl)s3)n12,HUJBLGGZLYCGBJ-UHFFFAOYSA-N,2,1,0.506,97,31,472.332,5.94,5,0.296,0.74,1.0,0.7719827290795696,0.9053183469261874,0.935551024604208,0.9558546364197108,0.8921766842574189
EOS-2-30387,Fc1cnc(-c2ncc(-c3cncc4nnc(-c5ccc(F)c(OC(F)(F)F)c5)n34)cn2)cn1,VLHKIFCMQWDJGS-UHFFFAOYSA-N,2,1,0.384,50,243,472.337,3.882,5,0.363,0.65,1.0,0.7119200191899115,0.8883044342402852,0.962399766979645,0.9339661435131246,0.8741475909807417
EOS-2-30388,Brc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,MNNCFCZDZOPFEJ-UHFFFAOYSA-N,2,1,0.658,79,824,472.346,5.237,5,0.338,0.79,1.0,0.8844493180727846,0.8983020355013365,0.7420241929956822,0.7580786101021177,0.8207135391679803
EOS-2-30389,Brc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,PTVWBQOXCIBOTD-UHFFFAOYSA-N,2,1,0.797,91,883,472.346,5.237,5,0.338,0.86,1.0,0.9613717360016448,0.9579106983757111,0.8330991707216777,0.8257487492289768,0.8945325885820026
EOS-2-30390,Brc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,XUAVSNODCBMOHY-UHFFFAOYSA-N,2,1,0.688,79,824,472.346,5.237,5,0.338,0.83,1.0,0.8411435131245288,0.885622986772668,0.7291309711465972,0.7502484408196833,0.8015364779658695
EOS-2-30391,Fc1ccc(-c2nnco2)cc1COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,WHEAXBROBTXMDY-UHFFFAOYSA-N,2,1,0.576,43,431,472.358,4.458,5,0.334,0.72,1.0,0.9741964224521965,0.9588530601055445,0.9811613323281475,0.9552206839832773,0.9673578747172914
EOS-2-30392,Fc1cccc(F)c1-c1nc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)no1,QMEFPNBOQIINCW-UHFFFAOYSA-N,2,1,0.633,34,679,472.358,4.3,5,0.323,0.78,1.0,0.8969056267562195,0.9095761085600713,0.8807741073264341,0.8737834966760332,0.8902598348296895
EOS-2-30393,Fc1cc(F)cc(-c2nnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)o2)c1,ZWPBCYZTWNIJMY-UHFFFAOYSA-N,2,1,0.634,34,996,472.358,4.3,5,0.323,0.72,1.0,0.8456582825029128,0.9466794599410595,0.9040932766774039,0.8916969364676856,0.8970319888972654
EOS-2-30394,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1-c1nnco1,BCMTZQASZCTMHQ-UHFFFAOYSA-N,2,1,0.642,43,431,472.358,4.458,5,0.334,0.69,1.0,0.9797392228085806,0.9599153587828113,0.9795764512370639,0.9519909533273936,0.9678054965389624
EOS-2-30395,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)o2)c(F)c1,VAAIDHVSZGVUOM-UHFFFAOYSA-N,2,1,0.627,34,372,472.358,4.3,5,0.323,0.78,1.0,0.9140908779384552,0.9664861901171955,0.9041018436022206,0.8930676444383524,0.9194366390240559
EOS-2-30396,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c(Cl)cn2)c1,KEIOCJMCBYIIPK-UHFFFAOYSA-N,2,1,0.453,58,510,472.361,4.577,5,0.36,0.68,1.0,0.7862980604482215,0.7788619697073539,0.4765608937015969,0.5564474676170242,0.6495420978685491
EOS-2-30397,Cn1ncc(-c2nnc3cncc(OCCc4cc(Cl)ns4)n23)c1-c1ccc(Cl)cc1,OYDSVWCJTSSMDG-UHFFFAOYSA-N,2,1,0.585,37,669,472.361,4.577,5,0.36,0.53,1.0,0.5209975327256527,0.6201168528544994,0.3530772393941471,0.5229679254334864,0.5042898876019464
EOS-2-30398,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4c(Cl)csc4Cl)n23)c1,NROZXAUFOLXQSA-UHFFFAOYSA-N,2,1,0.426,18,211,472.361,4.577,5,0.36,0.71,0.999,0.5108200260434514,0.45342162977177713,0.5252895620588034,0.597097525872113,0.5216571859365362
EOS-2-30399,Cn1nc(-c2nnc3cncc(OCCc4c(Cl)nsc4Cl)n23)cc1-c1ccccc1,UUJVUICFHRXYFQ-UHFFFAOYSA-N,2,1,0.5,95,54,472.361,4.577,5,0.36,0.57,1.0,0.44972071825097665,0.47516448495648,0.21772839421561235,0.40250839558632034,0.38628049825234734
EOS-2-30400,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)cc1-c1ccccn1,WFGFOKUSCCIIAO-UHFFFAOYSA-N,2,1,0.451,95,493,472.361,4.577,5,0.36,0.66,0.999,0.4635648687547118,0.4179374271811391,0.34924782400109655,0.4657922692070454,0.42413559728599826
EOS-2-30401,Cn1ccnc1-c1ncccc1-c1nnc2cncc(OCCc3cc(Cl)sc3Cl)n12,WMPDRBRWXXDBMN-UHFFFAOYSA-N,2,1,0.472,65,262,472.361,4.577,5,0.36,0.68,1.0,0.6221814817353163,0.5917174970872455,0.33788808169419504,0.44372387087930915,0.49887773284901654
EOS-2-30402,Cc1cc(-c2cc(-c3nnc4cncc(OCc5sncc5Cl)n34)nn2C)ccc1Cl,CIPKLYMGTJWNOW-UHFFFAOYSA-N,2,1,0.433,95,998,472.361,4.843,5,0.364,0.63,1.0,0.29512199300938935,0.3656020834761154,0.48037317524501405,0.5971060927969296,0.4345508361318621
EOS-2-30403,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1cncc(Cl)c1,YIHWZNKMIJXQFZ-UHFFFAOYSA-N,2,1,0.423,95,235,472.361,4.577,5,0.36,0.68,0.999,0.5032811322047838,0.4359879377698581,0.4303509012404907,0.5564560345418409,0.4815190014392433
EOS-2-30404,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccc(Cl)s1,WFGAZIRYYFVOHV-UHFFFAOYSA-N,2,1,0.426,95,569,472.361,4.577,5,0.36,0.64,0.997,0.4081539990405044,0.3465235419093962,0.42326605441710646,0.5464927009800562,0.43110907408676585
EOS-2-30405,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)ccn1,SWWSKXPCUMPIIF-UHFFFAOYSA-N,2,1,0.518,75,359,472.361,4.577,5,0.36,0.67,1.0,0.6167500514015489,0.5711568775272429,0.4416592419984922,0.5063395243643342,0.5339764238229046
EOS-2-30406,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c(Cl)c1,JPSWEJLQWOBWTH-UHFFFAOYSA-N,2,1,0.494,37,475,472.361,4.577,5,0.36,0.67,1.0,0.6167586183263656,0.6730261805222397,0.5320060311150709,0.6360941676375849,0.6144712494003153
EOS-2-30407,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c(Cl)n2)n1,YFKSLZGDTJLSLM-UHFFFAOYSA-N,2,1,0.489,58,24,472.361,4.577,5,0.337,0.55,1.0,0.6363597423069015,0.6927044068261257,0.40139469536015354,0.4843824960592146,0.5537103351380988
EOS-2-30408,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cnc1Cl,DRCLZQAUSRIOIH-UHFFFAOYSA-N,2,1,0.479,58,510,472.361,4.577,5,0.36,0.69,1.0,0.7456051675690494,0.7305445137413474,0.4380097320265917,0.5095007196216846,0.6059150332396683
EOS-2-30409,Cn1nccc1-c1cnc(Cl)c(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1,QJQPVAPKYWFXKI-UHFFFAOYSA-N,2,1,0.473,87,954,472.361,4.577,5,0.337,0.64,1.0,0.5626327873346584,0.620125419779316,0.49388321568089916,0.562821259680625,0.5598656706188747
EOS-2-30410,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c(Cl)c1,RKXKZUCPJJFFBV-UHFFFAOYSA-N,2,1,0.506,37,563,472.361,4.577,5,0.36,0.75,1.0,0.805753546706874,0.7616595846754849,0.46999862929202935,0.5850181618806113,0.65560748063875
EOS-2-30411,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)nsc5Cl)n34)cc2)cn1,ZUYXHHFJJCOTQB-UHFFFAOYSA-N,2,1,0.582,15,519,472.361,4.577,5,0.36,0.61,1.0,0.6451065725447194,0.7167089301624289,0.4380182989514084,0.5465012679048729,0.5865837673908574
EOS-2-30412,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)c1,ZLHTZJBZXIWLMQ-UHFFFAOYSA-N,2,1,0.55,15,931,472.361,4.577,5,0.36,0.68,1.0,0.5793125899527106,0.5622387087930917,0.45931567404564455,0.5434771434445891,0.536086029059009
EOS-2-30413,Cn1nc(-c2nnc3cncc(OCCc4scnc4Cl)n23)cc1-c1cccc(Cl)c1,WFKLLVHKZMDNJO-UHFFFAOYSA-N,2,1,0.528,95,835,472.361,4.577,5,0.36,0.65,0.989,0.4241741484476732,0.4708553217736961,0.31593105338907546,0.4963504900280995,0.4268277534096361
EOS-2-30414,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)csc4Cl)n23)cc1,BKMGUHDOZAIXAE-UHFFFAOYSA-N,2,1,0.561,37,475,472.361,4.577,5,0.36,0.62,1.0,0.6278270851895004,0.6927129737509423,0.5320145980398876,0.6240662051949832,0.6191552155438284
EOS-2-30415,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cnc2Cl)cn1,JHLYCFSEUCJRKQ-UHFFFAOYSA-N,2,1,0.451,92,36,472.361,5.017,5,0.323,0.74,1.0,0.4060294016859708,0.5158316770612021,0.5656397779453087,0.6092968268110479,0.5241994208758824
EOS-2-30416,Cn1cc(Cl)c(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)n1,QXLBVEKXGWREEA-UHFFFAOYSA-N,2,1,0.468,87,227,472.361,4.577,5,0.36,0.7,1.0,0.562641354259475,0.5765540401617435,0.470007196216846,0.5628298266054417,0.5430081043108765
EOS-2-30417,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)c(Cl)c2Cl)n1,JHSYLHODHNNZKQ-UHFFFAOYSA-N,2,1,0.529,37,619,472.361,4.577,5,0.36,0.62,1.0,0.4907562881228154,0.6435473922280858,0.5455674730998561,0.6183863340415324,0.5745643718730724
EOS-2-30418,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc(Cl)n1,MZYLIFNWDFKSGV-UHFFFAOYSA-N,2,1,0.495,58,954,472.361,4.577,5,0.337,0.72,0.997,0.6541446782263038,0.6291720923857173,0.49389178260571587,0.5628383935302583,0.5850117366869988
EOS-2-30419,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(OC(F)F)cn5)[nH]n4)n23)c(F)c1,WAXDFLMGUDURJV-UHFFFAOYSA-N,2,1,0.412,46,526,472.362,3.43,5,0.358,0.59,0.997,0.5597885682955246,0.5434086080460558,0.8510640120622301,0.817850044548009,0.6930278082379548
EOS-2-30420,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)ncc2F)o1,MSFGYEIXNQLKGO-UHFFFAOYSA-N,2,1,0.478,27,51,472.362,3.677,5,0.353,0.66,1.0,0.9065691179494209,0.8413748200945789,0.7607943252690015,0.6618377767116715,0.7926440100061681
EOS-2-30421,COc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ncnn1C(F)F,VLMOEPPEHIYOJT-UHFFFAOYSA-N,2,1,0.417,13,251,472.362,3.919,5,0.343,0.55,0.978,0.5264803646083202,0.5818483996984443,0.6872644095675416,0.6155249811527654,0.6027795387567678
EOS-2-30422,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)c(F)c4)n23)cc1F,UIYODXOKHFXEHM-UHFFFAOYSA-N,2,1,0.65,59,607,472.377,5.046,5,0.324,0.7,1.0,0.9638390103488452,0.909584675484888,0.9908505242957988,0.9875351243917483,0.9629523336303201
EOS-2-30423,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccn(C(F)F)n5)cc4)n23)c(F)c1F,BRVSBXFVYSEAIF-UHFFFAOYSA-N,2,1,0.541,43,178,472.377,5.046,5,0.256,0.71,1.0,0.909584675484888,0.882787334658351,0.9858388732780481,0.9753700911520801,0.9383952436433417
EOS-2-30424,Fc1ccc(-c2nn(C(F)F)cc2COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1,YOHQBYQQPICGGI-UHFFFAOYSA-N,2,1,0.612,34,607,472.377,5.046,5,0.324,0.69,1.0,0.7486721266534165,0.8827959015831677,0.9746590363922967,0.9703927078335961,0.8941299431156192
EOS-2-30425,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)(F)F)c5)cc4)n23)cc1F,NSIUDFMECUIKPC-UHFFFAOYSA-N,2,1,0.726,43,96,472.377,4.988,5,0.337,0.68,1.0,0.8592968268110479,0.9027911041052704,0.9938146802823659,0.9846223699540813,0.9351312452881915
EOS-2-30426,Fc1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)c(F)cc1-c1cnccn1,GEPLPXUVTSYMMU-UHFFFAOYSA-N,2,1,0.355,45,287,472.39,4.383,6,0.372,0.66,1.0,0.4037420327599205,0.5434171749708725,0.8755654170379,0.8778185182646837,0.6751357857583442
EOS-2-30427,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cc(F)ncc6F)o5)n34)nc2)cc1,VXWSSMHNFUUCOZ-UHFFFAOYSA-N,2,1,0.306,3,572,472.39,4.383,6,0.348,0.7,0.269,0.3184154615859091,0.46656329244054556,0.7265694606264136,0.7917466246316223,0.5758237098211226
EOS-2-30428,Fc1cnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)o2)c(F)c1,BBRBESBAOMXJNC-UHFFFAOYSA-N,2,1,0.325,3,641,472.39,4.383,6,0.348,0.65,1.0,0.3726869302994997,0.5297015283393873,0.6928157768487424,0.7605715852237681,0.5889439551778494
EOS-2-30429,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cnccn6)no5)n34)c(F)c2)n1,JHOQEMFTRGCECX-UHFFFAOYSA-N,2,1,0.412,80,277,472.4,2.708,6,0.35,0.7,1.0,0.5995905009937633,0.6244859845109999,0.07873003906517717,0.08049482557741074,0.34582533753683775
EOS-2-30430,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnco6)n5)n34)nc2F)no1,NCYOEILUMIQTBJ-UHFFFAOYSA-N,2,1,0.356,80,34,472.4,2.708,6,0.327,0.53,0.998,0.5057912411760674,0.4931978616955658,0.09064663148516208,0.0805033925022274,0.29253478171475567
EOS-2-30431,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccnn5)no4)n23)nc1F,BCHJRUQOHSNHEY-UHFFFAOYSA-N,2,1,0.346,99,502,472.404,1.54,6,0.322,0.55,0.989,0.3774415735727503,0.3845521211705846,0.019875265574669315,0.01942978548420259,0.20032468645055174
EOS-2-30432,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)c(F)c2)n1,CKKLCGUTYMSHSS-UHFFFAOYSA-N,2,1,0.438,71,614,472.404,1.54,6,0.344,0.56,1.0,0.43805256665067505,0.4488468919196765,0.06383215680899185,0.0657597148927421,0.2541228325680214
EOS-2-30433,Cn1cnc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)n(C)n4)n23)c1C(F)(F)F,POTNULQDTRPBAC-UHFFFAOYSA-N,2,1,0.419,95,965,472.406,3.662,5,0.363,0.63,0.961,0.3704252621478994,0.49320642862038244,0.8346754848879446,0.7346994722774313,0.6082516619834144
EOS-2-30434,Fc1ccc(-n2cnnc2COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1F,NJAGMNNQCSHVMF-UHFFFAOYSA-N,2,1,0.478,77,177,472.415,3.884,6,0.359,0.56,1.0,0.6221900486601329,0.5111370022616681,0.6954715235419094,0.6939380439997258,0.630684154615859
EOS-2-30435,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c(F)c1,BEOXDCZZAVBFKP-UHFFFAOYSA-N,2,1,0.471,67,722,472.415,4.312,6,0.365,0.68,1.0,0.6726749366047563,0.6056901514632308,0.7057689671715441,0.6559522993626208,0.6600215886505381
EOS-2-30436,FC(F)Oc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ncco4)cc3)n12,SQFYYGPIZQVJMT-UHFFFAOYSA-N,2,1,0.341,9,834,472.415,4.5,6,0.376,0.64,1.0,0.6306027688301008,0.5158402439860188,0.8111764101158249,0.7426924131313823,0.6750779590158317
EOS-2-30437,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(-c5nnco5)cc4F)n23)cc1,NHXWNNFQONGZHR-UHFFFAOYSA-N,2,1,0.455,67,722,472.415,4.312,6,0.365,0.65,1.0,0.6604756356658213,0.6156277842505654,0.7608028921938181,0.6879497635528751,0.68121401891577
EOS-2-30438,FC(F)Oc1ccc(-c2n[nH]cc2-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,AXVBLYCKEUHQAB-UHFFFAOYSA-N,2,1,0.419,9,340,472.415,4.5,6,0.376,0.65,1.0,0.5544942087588239,0.5434257418956892,0.8256716469056268,0.7940339935576726,0.6794063977794531
EOS-2-30439,Cn1nnnc1-c1cc(F)c(F)c(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,MXVUIKPLOTVIGJ-UHFFFAOYSA-N,2,1,0.442,67,941,472.419,3.442,6,0.405,0.64,1.0,0.5210060996504695,0.6435559591529024,0.5523439106298403,0.5594715920773079,0.5690943903776301
EOS-2-30440,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnn(C(F)F)n6)on5)n34)cc2)cn1,VYLSODSKGZNHHZ-UHFFFAOYSA-N,2,1,0.296,42,725,472.419,3.865,6,0.367,0.63,1.0,0.17706976903570695,0.23024467137276403,0.3942413131382359,0.33243095058597766,0.28349667603317114
EOS-2-30441,Cn1c(CF)nc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3nnc(-c4cccnn4)o3)n12,YAVDKILNUQXOIK-UHFFFAOYSA-N,2,1,0.291,98,63,472.419,3.307,6,0.371,0.56,0.395,0.18308375025700774,0.2557055719279008,0.06790144609690905,0.1438900692207525,0.16264520937564253
EOS-2-30442,Fc1ccc(-n2nnnc2COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1F,UFNONZVRFKLSDS-UHFFFAOYSA-N,2,1,0.443,43,807,472.419,3.014,6,0.392,0.64,1.0,0.5314234802275375,0.6486875471180865,0.45597457336714414,0.5262233568638202,0.540577239394147
EOS-2-30443,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6nc(F)n(C)n6)cc5)n34)cn2)n1,ZTFMIUHPNQDEAQ-UHFFFAOYSA-N,2,1,0.313,98,866,472.423,2.117,6,0.379,0.64,1.0,0.259877664313618,0.307149955451991,0.11060756630799808,0.13457782194503462,0.20305325200466043
EOS-2-30444,Cn1nc(-c2nnnn2C(F)F)cc1-c1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,LNEPPIMGQAZWOU-UHFFFAOYSA-N,2,1,0.278,98,63,472.423,2.697,6,0.372,0.63,0.958,0.14687992598176958,0.1957627989856761,0.16745767939140566,0.20631725035981086,0.17910441367966554
EOS-2-30445,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccsc5)n4)n23)cc1C(F)(F)F,FDQIZRNCGQIXQA-UHFFFAOYSA-N,2,1,0.477,27,343,472.427,5.047,5,0.333,0.68,1.0,0.8549105613049139,0.8748971969022,0.9760297443629635,0.9472534439037763,0.9132727366184635
EOS-2-30446,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccsc5)c(C(F)F)n4)n23)c1F,DLJINASBQJICBC-UHFFFAOYSA-N,2,1,0.389,46,564,472.427,5.105,5,0.32,0.58,1.0,0.7746384757727366,0.7121770269344116,0.9294770749091906,0.902208553217737,0.829625282708519
EOS-2-30447,N#Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)cn1,NMNOBVOBGJKMCB-UHFFFAOYSA-N,2,1,0.554,1,138,472.43,5.323,5,0.344,0.79,1.0,0.9606778150914947,0.9173291755191556,0.9934634363648824,0.9839113151942979,0.9638454355424576
EOS-2-30448,N#Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)nc1,YRKCWUCEAUGHBI-UHFFFAOYSA-N,2,1,0.568,1,138,472.43,5.323,5,0.344,0.81,1.0,0.9600095949557946,0.92485093550819,0.9931121924473991,0.9835429374271811,0.9653789150846412
EOS-2-30449,N#Cc1cnc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1,VMKPCAOWDUMFEO-UHFFFAOYSA-N,2,1,0.578,1,138,472.43,5.381,5,0.33,0.82,1.0,0.9767836337468302,0.9624083339044617,0.9791909396203139,0.9736738400383799,0.9730141868274964
EOS-2-30450,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnn(C(F)F)c6)cc5)n34)cn2)cc1,MPKYFLRSVATLQM-UHFFFAOYSA-N,2,1,0.347,3,150,472.434,5.042,6,0.351,0.68,1.0,0.033085463641971076,0.31744739908162567,0.9276437529984237,0.9134140908779385,0.5478976766499897
EOS-2-30451,OCc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccc6c(c5)OCO6)n4)n23)cc1,ISZIQMLPDFKZHX-UHFFFAOYSA-N,2,1,0.516,1,230,472.436,3.187,6,0.398,0.69,1.0,0.9564714550065109,0.7918751285038722,0.660278596395038,0.5529692961414571,0.7403986190117195
EOS-2-30452,CCOc1nc(-c2nnc3cncc(OCc4cncc(C#N)c4F)n23)ccc1-c1conc1C,CSSZYIIETHPILU-UHFFFAOYSA-N,2,1,0.398,49,62,472.44,3.533,5,0.346,0.58,0.99,0.54959392776369,0.4488554588444932,0.4733568638201631,0.3387876087999452,0.4526484648070729
EOS-2-30453,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5cnccn5)s4)n23)c1F,SGVZJEKCJMQGBY-UHFFFAOYSA-N,2,1,0.296,39,972,472.444,3.502,6,0.379,0.48,0.735,0.16892262353505585,0.24565656911794942,0.19010006168185867,0.3167192104722089,0.2303496162017682
EOS-2-30454,Cn1c(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)cnc1-c1nnco1,ZYLQILAVJHYAAB-UHFFFAOYSA-N,2,1,0.446,37,563,472.444,2.726,6,0.372,0.57,0.989,0.5545027756836406,0.4980724419162497,0.13973511068466862,0.15932766774038792,0.33790949900623674
EOS-2-30455,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cc(F)[nH]n5)nc4)n23)n(C)n1,JLYPSKHDLRONCQ-UHFFFAOYSA-N,2,1,0.324,99,292,472.448,2.52,6,0.387,0.52,0.997,0.377450140497567,0.47086388869851276,0.056164759098074155,0.05114454115550682,0.2389058323624152
EOS-2-30456,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cc(-c5nncn5C)nn4C)n23)c(F)c1,UMFMADWZSLNCNA-UHFFFAOYSA-N,2,1,0.387,67,292,472.448,2.047,6,0.37,0.62,1.0,0.4497292851757933,0.5434343088205058,0.06791001302172572,0.06412343225275854,0.2812992598176958
EOS-2-30457,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5n[nH]c(F)n5)cc4)n23)n(C)n1,RPQSKYIIXQIZEZ-UHFFFAOYSA-N,2,1,0.353,67,789,472.448,2.52,6,0.387,0.59,1.0,0.4660749777259955,0.5206120211089027,0.04858303063532315,0.0419950654513056,0.2693162737303817
EOS-2-30458,O=C(Oc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1)c1ccccc1,MZUAWFPTIFROMU-UHFFFAOYSA-N,2,1,0.795,79,397,472.451,4.91,5,0.247,0.81,1.0,0.9655952299362621,0.8574035364265643,0.9051470084298541,0.8507984373929134,0.8947360530463984
EOS-2-30459,O=C(O)c1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,DRHGMVMSCNOVFM-UHFFFAOYSA-N,2,1,0.79,79,650,472.451,5.056,5,0.356,0.8,1.0,0.7572304845452676,0.06119354396545816,0.9138424371187719,0.8722500171338496,0.6511291206908368
EOS-2-30460,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nc6cccc(F)c6n5CCO)n34)cc2F)cn1,HIKWCIYLTZIGOV-UHFFFAOYSA-N,2,1,0.308,96,46,472.459,3.479,6,0.413,0.6,1.0,0.2544205332054006,0.2763775615105202,0.5151805907751353,0.5971146597217463,0.4107733363032006
EOS-2-30461,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)ccc1-c1cncs1,SWSKDCVJWAPWDL-UHFFFAOYSA-N,2,1,0.571,40,25,472.465,4.078,6,0.353,0.63,1.0,0.6054845452676307,0.5963779041875128,0.5081728462751011,0.4690477006373792,0.544770749091906
EOS-2-30462,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccns6)n5)n34)cc2)n1,NQUVFCBJFOHPJZ-UHFFFAOYSA-N,2,1,0.446,40,59,472.465,4.078,6,0.331,0.54,1.0,0.6665495853608389,0.6056987183880475,0.24296655472551573,0.27989000068535397,0.448776214789939
EOS-2-30463,Fc1ccc(-c2csc(COc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)nc1,MQLHTUWPUFAEAQ-UHFFFAOYSA-N,2,1,0.512,40,120,472.465,4.078,6,0.353,0.69,1.0,0.6937067370296758,0.6387927489548352,0.3159396203138921,0.31362655061339184,0.4905164142279488
EOS-2-30464,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5F)n34)ccn2)s1,DSXKNWSGHPKRGP-UHFFFAOYSA-N,2,1,0.421,13,870,472.465,4.6,6,0.355,0.72,1.0,0.6636282639983552,0.6632684531560551,0.44521451579740934,0.3905404016174354,0.5406629086423137
EOS-2-30465,Fc1cnc(-c2cnsc2COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)nc1,JUNGGFUTJZMLQJ-UHFFFAOYSA-N,2,1,0.489,40,78,472.465,4.078,6,0.353,0.63,1.0,0.7804211500239874,0.6682629703241725,0.26091426221643477,0.27100609965046946,0.4951511205537661
EOS-2-30466,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)nc1-c1ccoc1,KVFNLTROHYXCPR-UHFFFAOYSA-N,2,1,0.413,80,297,472.465,4.078,6,0.353,0.65,1.0,0.6726835035295731,0.6682715372489891,0.23950551709958193,0.23848605304639847,0.4547366527311356
EOS-2-30467,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cs2)nc1,CDMOIMOAZPCXMN-UHFFFAOYSA-N,2,1,0.489,81,609,472.465,4.078,6,0.353,0.66,1.0,0.6570659995887876,0.6341152080049346,0.32322150640805974,0.31672777739702557,0.48278262284970186
EOS-2-30468,Fc1csc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)n1,UPSVDFIUNJTBHT-UHFFFAOYSA-N,2,1,0.456,28,59,472.465,4.078,6,0.353,0.61,1.0,0.780429716948804,0.7167174970872455,0.23226646562949763,0.22071825097662942,0.4875329826605442
EOS-2-30469,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cccs6)n5)n34)cn2)cn1,WXKWFCXQCAGSFY-UHFFFAOYSA-N,2,1,0.409,6,297,472.465,4.078,6,0.331,0.73,1.0,0.565502707148242,0.6435645260777192,0.2538379823178672,0.2710146665752861,0.43347997052977866
EOS-2-30470,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)cc5F)n34)cc2)s1,DTHZXIFHKRGLTM-UHFFFAOYSA-N,2,1,0.46,67,340,472.465,4.6,6,0.355,0.75,1.0,0.645115139469536,0.702779110410527,0.41170927283942155,0.3744174491124666,0.5335052429579878
EOS-2-30471,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cnc(-c4nccs4)cc3F)n12,ADHNNDCQVBFSOW-UHFFFAOYSA-N,2,1,0.322,32,693,472.465,4.175,6,0.364,0.61,0.839,0.5340192584469878,0.5252381605099034,0.4085052429579878,0.35467925433486397,0.45561047906243574
EOS-2-30472,C(#Cc1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1)c1cccnc1,GQKSWYZYBCIMII-UHFFFAOYSA-N,2,1,0.5,40,2,472.468,3.61,6,0.347,0.72,1.0,0.6511291206908368,0.44886402576930984,0.662882941539305,0.5660938249605921,0.582242478240011
EOS-2-30473,Fc1cc(-c2nnc3cncc(OCc4nc(-c5cnccn5)ns4)n23)ccc1-c1cc[nH]n1,GINACVOUFMXKSJ-UHFFFAOYSA-N,2,1,0.429,80,355,472.469,3.208,6,0.388,0.57,1.0,0.5390994448632719,0.5870056884380783,0.1612209581248715,0.2033273935987938,0.37266337125625393
EOS-2-30474,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5nccs5)n4)n23)ccc1-c1nc[nH]n1,RHLDLFGEIJWLKT-UHFFFAOYSA-N,2,1,0.495,56,425,472.469,3.208,6,0.388,0.66,1.0,0.6451237063943527,0.6486961140429032,0.17712117058460694,0.1781749023370571,0.41227897333973
EOS-2-30475,Fc1cc(-c2c[nH]cn2)ccc1-c1nnc2cncc(OCc3cnnc(-c4cscn4)n3)n12,QXDZILJHEDKOSK-UHFFFAOYSA-N,2,1,0.424,71,820,472.469,3.208,6,0.388,0.59,1.0,0.5314320471523541,0.5434428757453225,0.22482180796381332,0.2562795558906175,0.38899407168802685
EOS-2-30476,c1ccn2c(COc3cncc4nnc(-c5ccc(-c6cc7ccncc7nn6)cc5)n34)nnc2c1,CBAJHMOELNVQST-UHFFFAOYSA-N,2,1,0.385,77,755,472.472,3.418,7,0.371,0.52,1.0,0.48833184839969845,0.4488725926941265,0.24652182852443286,0.307381262422041,0.3727768830100747
EOS-2-30477,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-n5nncc5-c5cccnc5)nc4)n23)cc1,SYUGHORXOUIBKV-UHFFFAOYSA-N,2,1,0.505,40,2,472.472,3.28,6,0.358,0.66,1.0,0.4736310054142965,0.36080460557878147,0.5008823932561168,0.47507881570831334,0.452599204989377
EOS-2-30478,N#Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)nn1,LVXDGLAGRAUODJ-UHFFFAOYSA-N,2,1,0.527,40,932,472.472,3.28,6,0.358,0.65,1.0,0.2705777534096361,0.30715852237680763,0.4232746213419231,0.38707079706668496,0.34702042354876295
EOS-2-30479,N#Cc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-c4nn[nH]n4)n23)cn1,CGUGGKMPSSXFJG-UHFFFAOYSA-N,2,1,0.417,77,363,472.472,3.484,6,0.385,0.77,1.0,0.6334212870947844,0.5483859913645398,0.515189157699952,0.5133044342402852,0.5525752175998904
EOS-2-30480,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)cn5)n34)c(F)c2)s1,BOCPCJXBGFVCRL-UHFFFAOYSA-N,2,1,0.325,99,286,472.473,2.405,6,0.376,0.55,1.0,0.17154410252895622,0.2712374066205195,0.03391645534918786,0.04855732986087314,0.13131382358988417
EOS-2-30481,FC(F)c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)s5)n34)cc2)cc1,CWFXLCLUFZBSSR-UHFFFAOYSA-N,2,1,0.329,93,74,472.48,6.174,6,0.298,0.64,1.0,0.32831025974916045,0.5434514426701391,0.8974539099444864,0.8917055033925022,0.665230278939072
EOS-2-30482,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)cc(F)c6)s5)n34)cn2)o1,WCIXEEAZNAHESM-UHFFFAOYSA-N,2,1,0.309,32,693,472.48,5.823,6,0.321,0.65,1.0,0.27550373517922006,0.41794599410595573,0.7861609896511548,0.7917551915564389,0.5678414776231924
EOS-2-30483,COc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c(=O)c5)cc4)n23)ccc1F,WRNSQZAEGYHHGX-UHFFFAOYSA-N,2,1,0.593,91,309,472.48,3.321,5,0.359,0.69,1.0,0.6027174285518471,0.5711654444520595,0.6738571722294565,0.5498423685833733,0.5993956034541841
EOS-2-30484,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5nc6ccc(F)cc6s5)n34)cc2)c1,VAMBYAVZGJSWOU-UHFFFAOYSA-N,2,1,0.495,41,326,472.48,5.32,6,0.338,0.75,1.0,0.7804382838736207,0.8117932287026249,0.7861695565759715,0.8238211911452266,0.8005555650743609
EOS-2-30485,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5nc6ccccc6s5)nc4)n23)c1F,BJNPPJOKVDBVAJ-UHFFFAOYSA-N,2,1,0.462,28,891,472.48,5.32,6,0.338,0.78,1.0,0.8435765197724625,0.8607703378795147,0.779478788294154,0.7940425604824892,0.8194670516071552
EOS-2-30486,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cc5F)n34)c(F)c2)n1,TXSLAUKLIDPQFG-UHFFFAOYSA-N,2,1,0.338,69,923,472.48,5.823,6,0.321,0.71,1.0,0.3054879720375574,0.4665718593653622,0.7921492700980056,0.7779453087519704,0.585538602563224
EOS-2-30487,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnn5-c5ccsc5)n34)s2)nc1,ZBNMUGBYJWHDIW-UHFFFAOYSA-N,2,1,0.315,76,272,427.518,4.829,6,0.403,0.51,0.991,0.0032982660544171065,0.004463367829483929,0.2572047837708176,0.3258772531012268,0.14771091768898637
EOS-2-30488,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)s5)n34)cc2)n[nH]1,ODPNCXVCJFTHRP-UHFFFAOYSA-N,2,1,0.303,38,154,427.518,5.033,6,0.426,0.61,1.0,0.1088170790213145,0.17430265231992323,0.45247926804194366,0.4811013638544308,0.3041750908094031
EOS-2-30489,Cn1cc(-c2nnc3cncc(-c4nnc(-c5ccc(F)cc5)s4)n23)c(-c2ccc(F)cc2)n1,RYRRTHBASHNALC-UHFFFAOYSA-N,2,1,0.373,3,950,472.484,4.656,6,0.371,0.69,1.0,0.11709272839421561,0.322364813926393,0.47656946062641353,0.612595092865465,0.3821555239531218
EOS-2-30490,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(F)cc(F)c6)c5)n34)cc2)s1,QMNGAJCJCWSFSB-UHFFFAOYSA-N,2,1,0.321,3,150,472.484,4.749,6,0.368,0.7,1.0,0.012661914879035022,0.21983585772051265,0.6335669248166678,0.6704561030772394,0.3841302001233637
EOS-2-30491,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)c(F)c6)c5)n34)cc2)s1,IOOJEAWZBQRNHD-UHFFFAOYSA-N,2,1,0.333,3,150,472.484,4.749,6,0.368,0.75,1.0,0.024698444246453292,0.27638612843533683,0.6709615516414228,0.6909224864642588,0.41574215269686793
EOS-2-30492,Cn1nc(-c2cc(F)c(F)s2)nc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,URHIMFQBZPPGSX-UHFFFAOYSA-N,2,1,0.36,42,635,472.484,4.656,6,0.371,0.67,0.98,0.15809403056678775,0.33633746830237815,0.45932424097046126,0.5529778630662737,0.3766834007264752
EOS-2-30493,CCOCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)cn1,KYUGUXVLINIGMV-UHFFFAOYSA-N,2,1,0.429,75,441,472.484,3.601,5,0.334,0.66,1.0,0.4883404153245151,0.4932149955451991,0.3718302378178329,0.25628812281543417,0.4024184428757453
EOS-2-30494,CN(C)c1ncc(-c2cc(-c3nnc4cncc(OCCOc5ccccc5)n34)ccn2)c(F)n1,PAZXWRGNTDSLRW-UHFFFAOYSA-N,2,1,0.576,11,278,472.484,3.306,5,0.248,0.65,1.0,0.5520612021108903,0.4359965046946748,0.22855698718388048,0.13025152491261738,0.33671655472551576
EOS-2-30495,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)s1,LXVAHRQZSNUCQJ-UHFFFAOYSA-N,2,1,0.322,10,783,472.484,4.749,6,0.368,0.69,0.997,0.0024415735727503257,0.10556164759098075,0.4343173874306079,0.585026728805428,0.2818368343499418
EOS-2-30496,FC(F)n1cc(-c2cscc2-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cn1,KQVFFVBNBABFRQ-UHFFFAOYSA-N,2,1,0.308,42,171,472.484,5.235,6,0.341,0.62,1.0,0.07575731615379343,0.2198444246453293,0.8525974916044137,0.8160252895620588,0.4910561304913988
EOS-2-30497,Cc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cnn(C6COC6)c5)ccn4)n23)c1F,KEKPUKVPEXFCTJ-UHFFFAOYSA-N,2,1,0.392,18,711,472.484,3.085,6,0.356,0.68,0.999,0.3519207045438969,0.20045747378521006,0.24653039544924954,0.23849461997121513,0.25935079843739295
EOS-2-30498,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(F)c(-c5ncccn5)s4)n23)c(F)c1,QARPLMNWVFQGDR-UHFFFAOYSA-N,2,1,0.313,42,977,472.484,4.656,6,0.371,0.61,1.0,0.25442910013021725,0.39906449181001985,0.5188043999725859,0.5465098348296895,0.4297019566856281
EOS-2-30499,Fc1ccc(F)c(Cn2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nn2)c1,YCMQLPBKYJYNCM-UHFFFAOYSA-N,2,1,0.318,3,783,472.484,4.5,6,0.367,0.62,1.0,0.09400486601329587,0.2971866218902063,0.6766242889452402,0.742700980056199,0.45262918922623535
EOS-2-30500,CCOCc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,YKBSQPQWFMILQF-UHFFFAOYSA-N,2,1,0.429,18,840,472.484,3.335,5,0.319,0.68,1.0,0.442644438352409,0.380157288739634,0.33451271331642796,0.2710232335001028,0.35708441847714345
EOS-2-30501,CCn1c(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)nc(C)cc1=O,DMTYTVBNGFDPJJ-UHFFFAOYSA-N,2,1,0.434,75,606,472.484,3.16,5,0.37,0.62,1.0,0.3634517853471318,0.25571413885271743,0.17712973750942362,0.1416027002947022,0.23447459050099378
EOS-2-30502,Fc1ccc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)n2)cc1F,WCTNVLUSHIJYLO-UHFFFAOYSA-N,2,1,0.337,30,298,472.484,4.5,6,0.367,0.7,0.996,0.2217377150298129,0.24073058734836544,0.41557295593173876,0.5911863477486121,0.3673069015146323
EOS-2-30503,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cc(F)ccc5F)s4)n23)cc1,WDPTXQROYKFPNP-UHFFFAOYSA-N,2,1,0.362,3,641,472.484,4.656,6,0.371,0.68,1.0,0.17430265231992323,0.3608131725035981,0.5353556987183881,0.6062298677266809,0.41917534781714755
EOS-2-30504,FC(F)n1ccc(-c2cncc3nnc(-c4ccnc(-c5csc(-c6ccccc6)n5)c4)n23)n1,BESQVKDACAUPDL-UHFFFAOYSA-N,2,1,0.314,30,126,472.484,5.235,6,0.341,0.63,1.0,0.08011788088547735,0.22519018573093003,0.6071979302309642,0.5911949146734288,0.3759252278802001
EOS-2-30505,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5ccc(F)s5)nc4)n23)c1,QSFIJWYKGJPMTC-UHFFFAOYSA-N,2,1,0.333,10,314,472.484,4.656,6,0.371,0.65,1.0,0.24128743746144884,0.4038448358577205,0.6489616887122198,0.682432663970941,0.49413165650058255
EOS-2-30506,Cc1cc(-c2ccc(-c3nnc4cncc(-c5csc(-c6ccnc(F)c6)n5)n34)cc2F)n[nH]1,VCCNYBMSIMICFI-UHFFFAOYSA-N,2,1,0.308,32,140,472.484,4.954,6,0.365,0.59,1.0,0.20820197381947775,0.4038534027825372,0.6738657391542732,0.6824412308957577,0.4920905866630115
EOS-2-30507,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)c(F)c4)n23)c(F)c1,GHBMQFLYMDWORO-UHFFFAOYSA-N,2,1,0.317,3,192,472.484,4.656,6,0.371,0.67,1.0,0.14138852717428552,0.27639469536015354,0.7317610170653143,0.755285792611884,0.47620750805290935
EOS-2-30508,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5F)n34)cc2)sc1F,NTHHHRRYSPLKCD-UHFFFAOYSA-N,2,1,0.313,9,834,472.484,4.954,6,0.39,0.58,1.0,0.262610513330135,0.33634603522719486,0.6276985813172503,0.6213076554040162,0.46199069631964906
EOS-2-30509,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6css6)cc5)n34)cn2)c1,YVPIJYZMISOPQD-UHFFFAOYSA-N,2,1,0.311,38,727,427.514,5.903,6,0.328,0.77,1.0,0.1554211500239874,0.1619662805839216,0.6010554451374135,0.6240747721197999,0.3856294119662806
EOS-2-30510,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)s2)c1,BZKMXVZXYIIAKR-UHFFFAOYSA-N,2,1,0.344,32,126,427.514,5.903,6,0.35,0.73,1.0,0.16893119045987254,0.25070248783496674,0.5422263724213556,0.5529864299910904,0.37871162017682136
EOS-2-30511,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cnc(CN(C)C)nc5)ncn4)n23)c1F,NMYJKBYISPYPEC-UHFFFAOYSA-N,2,1,0.349,7,113,472.488,2.521,5,0.349,0.61,1.0,0.34985607566307997,0.25071105475978345,0.17713830443424028,0.08937872661229525,0.21677104036734976
EOS-2-30512,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cscn6)cn5)n34)no2)n1C,YOPZWERNYOGEEH-UHFFFAOYSA-N,2,1,0.404,6,843,472.494,2.981,6,0.356,0.62,1.0,0.19985778904804333,0.16576142827770543,0.024664176547186622,0.018864368446302515,0.10228694057980947
EOS-2-30513,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nncn6C)no5)n34)nc2)cs1,HRVISPRLLWTCSP-UHFFFAOYSA-N,2,1,0.441,6,502,472.494,2.981,6,0.356,0.7,0.746,0.34278836268932905,0.18263827016654102,0.04072716057843876,0.028956205880337194,0.1487774998286615
EOS-2-30514,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5csnc5-c5nnc(C)o5)n34)cc2)n[nH]1,LVXWGJXEEAHPLC-UHFFFAOYSA-N,2,1,0.467,56,415,472.494,3.279,6,0.383,0.55,1.0,0.4426530052772257,0.34131485162086217,0.03131211020492084,0.02260811459118635,0.2094720204235488
EOS-2-30515,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)n5C)n34)nc2)cs1,LHNVLFRLCZIJOA-UHFFFAOYSA-N,2,1,0.364,6,843,472.494,2.981,6,0.356,0.58,0.931,0.23007333287643067,0.17856041395380715,0.032545747378521006,0.021014666575286136,0.11554854019601123
EOS-2-30516,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)ns5)n34)o2)n1C,XOUGTVQGUZOHKS-UHFFFAOYSA-N,2,1,0.385,7,843,472.494,2.981,6,0.356,0.66,1.0,0.11956856966623261,0.10557021451579741,0.011111301487218148,0.008010074703584402,0.061065040093208144
EOS-2-30517,CC(Oc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1)c1ccccc1,MEIUCTDMIWWITK-UHFFFAOYSA-N,2,1,0.624,79,824,472.495,5.831,5,0.284,0.66,1.0,0.9852563223905147,0.9812298677266809,0.9700928654650127,0.9512798985676102,0.9719647385374546
EOS-2-30518,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)sn2)n1C,PSXFEIODMWPCPS-UHFFFAOYSA-N,2,1,0.427,92,584,472.498,2.111,6,0.382,0.6,0.993,0.3589884175176479,0.2507196216846001,0.009509286546501268,0.005774107326434103,0.15624785826879586
EOS-2-30519,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C#N)s5)n34)cc2)cn1,GRQBGMUOKZGPCD-UHFFFAOYSA-N,2,1,0.548,15,519,427.493,3.746,5,0.41,0.75,1.0,0.7663285587005688,0.6632770200808717,0.5389024055924885,0.462733877047495,0.607810465355356
EOS-2-30520,CSc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)ccn1,GKMCVSZGLWRVRR-UHFFFAOYSA-N,2,1,0.471,49,348,427.493,3.944,5,0.376,0.81,1.0,0.46831951202796246,0.32237338085120965,0.4049756699335207,0.32588582002604344,0.3803885957096841
EOS-2-30521,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cc2)cc1,LBWVETHGFJFKKD-UHFFFAOYSA-N,2,1,0.573,17,593,472.508,5.62,6,0.298,0.78,1.0,0.7633729696388184,0.5071962168460009,0.787882941539305,0.7373552189705983,0.6989518367486807
EOS-2-30522,c1ccc(Oc2cccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)c2)cc1,JHHLUBJPHQCUSR-UHFFFAOYSA-N,2,1,0.5,17,410,472.508,5.62,6,0.298,0.8,1.0,0.6604842025906381,0.5111455691864848,0.7583184839969844,0.7105921458433281,0.6601351004043589
EOS-2-30523,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)cc2)cc1,YUBDSADMRZRXKL-UHFFFAOYSA-N,2,1,0.563,17,960,472.508,5.62,6,0.298,0.75,1.0,0.5132444657665685,0.4267613597423069,0.7057775340963608,0.6559608662874374,0.5754360564731684
EOS-2-30524,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cc2)cc1,UHAWOOYFXARBCW-UHFFFAOYSA-N,2,1,0.471,17,410,472.508,5.62,6,0.298,0.84,1.0,0.5082927832225345,0.32692241792886023,0.7746556096223699,0.7290795695976973,0.5847375950928655
EOS-2-30525,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cn5)n34)cc2)cc1,JFVINYMVUFDNCW-UHFFFAOYSA-N,2,1,0.646,17,960,472.508,5.62,6,0.298,0.79,1.0,0.5340278253718045,0.4179545610307724,0.7630559934206017,0.7132821602357617,0.607080135014735
EOS-2-30526,c1ccc(Oc2cccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)c2)cc1,CIXGSPFGIBUVNH-UHFFFAOYSA-N,2,1,0.461,17,410,472.508,5.62,6,0.298,0.79,1.0,0.5881365225138784,0.3941899115893359,0.7518247549859502,0.7158865053800287,0.6125094236172983
EOS-2-30527,c1ccc(Oc2cccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)c2)cc1,NDBQPURDTFQARM-UHFFFAOYSA-N,2,1,0.553,17,593,472.508,5.62,6,0.298,0.78,1.0,0.777773970255637,0.587014255362895,0.777054348571037,0.7319666232609142,0.7184522993626208
EOS-2-30528,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)cn2)cc1,GEUFRVFIVJWVPI-UHFFFAOYSA-N,2,1,0.478,17,960,472.508,5.62,6,0.298,0.72,1.0,0.5626499211842917,0.3801658556644507,0.6982043725584264,0.6388098828044685,0.5699575080529093
EOS-2-30529,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccncc6)nc5)n34)cc2)cc1,LIUMKBDZMGXTSF-UHFFFAOYSA-N,2,1,0.554,12,492,472.508,5.2,6,0.356,0.73,1.0,0.6334298540196012,0.4360050716194915,0.8131639366732918,0.7580871770269344,0.6601715098348298
EOS-2-30530,Cn1nc(-c2nnc3cncc(OCCc4ccc5scnc5c4)n23)cc1-c1ccc(F)nc1,SDHWMSUZJYMKQX-UHFFFAOYSA-N,2,1,0.472,95,493,472.509,3.957,6,0.339,0.65,1.0,0.4907648550476321,0.4534301966965938,0.38320711397436774,0.3870793639915016,0.4286203824275238
EOS-2-30531,COc1nc(-c2cnc(C)nn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,MNDQUUMAOGBYJW-UHFFFAOYSA-N,2,1,0.333,93,651,472.512,4.689,6,0.356,0.79,1.0,0.29773490507847306,0.1743112192447399,0.38693372626961825,0.35800322116373107,0.3042457679391406
EOS-2-30532,c1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)cc1,IAECIKUOFDTBRK-UHFFFAOYSA-N,2,1,0.544,12,897,472.512,4.327,6,0.338,0.74,1.0,0.7633815365636352,0.7074652182852443,0.3869422931944349,0.402516962511137,0.5650765026386129
EOS-2-30533,Cc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)c1,OARKQYSWEZIZOO-UHFFFAOYSA-N,2,1,0.489,40,120,472.512,4.593,6,0.347,0.7,1.0,0.5571071208279076,0.4084538414090878,0.5043348639572339,0.437384346514975,0.47682004317730103
EOS-2-30534,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cccnc6)nc5)n34)nc2)nc1,CLXAUEXVZMMWHS-UHFFFAOYSA-N,2,1,0.542,28,687,472.512,4.327,6,0.338,0.8,1.0,0.6908196833664588,0.4838427797957645,0.4380268658762251,0.40252552943595366,0.5038037146186005
EOS-2-30535,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cc2)nn1,HORQYUVHMHSVOQ-UHFFFAOYSA-N,2,1,0.506,77,323,472.512,4.593,6,0.347,0.77,1.0,0.59959906791858,0.49808100884106643,0.5656483448701254,0.49635905695291616,0.539921869645672
EOS-2-30536,c1cncc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)c1,JQBJBCPNDTVGHM-UHFFFAOYSA-N,2,1,0.542,77,323,472.512,4.327,6,0.338,0.76,1.0,0.8682321293948324,0.6927215406757591,0.52529812898362,0.47803440477006376,0.6410715509560688
EOS-2-30537,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cn5)n34)cc2)cn1,NMVOGDHGQVDLEJ-UHFFFAOYSA-N,2,1,0.549,41,592,472.512,4.593,6,0.347,0.71,1.0,0.5108285929682681,0.4223408265369063,0.6574772119799877,0.5594801590021246,0.5375316976218216
EOS-2-30538,c1ccc(-c2cncc(CCOc3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)cc1,YDWWWJKQTHLVLT-UHFFFAOYSA-N,2,1,0.484,28,797,472.512,4.327,6,0.338,0.75,1.0,0.5132530326913851,0.40846240833390446,0.3121958741690083,0.32902988143376055,0.39073529915701455
EOS-2-30539,Cc1nc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nc4)n23)ccc1-c1ccccc1,CIMGPOMNNZMBBW-UHFFFAOYSA-N,2,1,0.404,28,363,472.512,4.593,6,0.347,0.69,1.0,0.5417466246316223,0.2764032622849702,0.3905147008429854,0.3546878212596806,0.39083810225481463
EOS-2-30540,COc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(C)nc6)nc5)n34)cc2)cn1,HRPNDACMHREMAM-UHFFFAOYSA-N,2,1,0.317,41,57,472.512,4.689,6,0.356,0.76,1.0,0.32311870331025977,0.18696456719895826,0.5558477828798575,0.4248423685833733,0.37269335549311217
EOS-2-30541,Cc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)nn1,ZRJUZAGEYXMSQI-UHFFFAOYSA-N,2,1,0.471,12,285,472.512,4.593,6,0.347,0.77,1.0,0.4982694811870331,0.4980895757658831,0.4303594681653074,0.4089849907477212,0.4589258789664862
EOS-2-30542,Cc1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nn1,GRERCNUBBJLHGS-UHFFFAOYSA-N,2,1,0.506,12,285,472.512,4.593,6,0.347,0.74,1.0,0.44266157220204233,0.4577222260297444,0.36047906243574807,0.3615841957370982,0.40561176410115823
EOS-2-30543,Cc1cc(-n2cnc(-c3cncc4nnc(-c5nc6ccccn6c5-c5ccccc5)n34)c2)n(C)n1,LYKGPRRSWSGJTB-UHFFFAOYSA-N,2,1,0.237,30,342,472.516,4.001,7,0.384,0.62,1.0,0.004411966280583921,0.0063652251387841825,0.1397436776094853,0.1972791446782263,0.08695000342676992
EOS-2-30544,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6csnn6)s5)n34)cn2)c1,NKQSWQDTRXIWRA-UHFFFAOYSA-N,2,1,0.455,6,49,472.519,3.197,6,0.356,0.66,0.998,0.35658111164416423,0.3561870331025975,0.05243814680282366,0.059565828250291275,0.2061930299499692
EOS-2-30545,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)cc2)cc1,GELQZZOTWUEIGS-UHFFFAOYSA-N,2,1,0.64,21,47,472.523,6.843,6,0.266,0.81,1.0,0.982077993283531,0.9671372764032623,0.9515540401617435,0.9577393598793777,0.9646271674319786
EOS-2-30546,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cc4)n23)cc1,WBEDAXFFXFIUII-UHFFFAOYSA-N,2,1,0.436,21,452,472.523,6.94,6,0.273,0.73,1.0,0.5264889315331369,0.6539048043314372,0.9588187924062779,0.9545010622986773,0.7734283976423824
EOS-2-30547,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)ccc1-c1ccccc1,LQCSJXLATITNBD-UHFFFAOYSA-N,2,1,0.676,21,47,472.523,6.843,6,0.266,0.79,1.0,0.9790710026728805,0.9570454389692276,0.9528219450346104,0.9565571242546775,0.9613738777328489
EOS-2-30548,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)c5)n34)c2)cc1,BYTOUZXVKMFWNF-UHFFFAOYSA-N,2,1,0.632,21,47,472.523,6.843,6,0.266,0.81,1.0,0.9288602563223906,0.9027996710300871,0.9541755191556439,0.9595726817901447,0.9363520320745666
EOS-2-30549,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)c5)n34)cc2)cc1,BZQUSYPZTXVJAW-UHFFFAOYSA-N,2,1,0.681,21,47,472.523,6.843,6,0.266,0.83,1.0,0.9760126105133301,0.9588616270303612,0.9572082105407443,0.9612774998286615,0.9633399869782743
EOS-2-30550,Cc1cc(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c(F)c2)nn1,FTQMYDJZZXCBNF-UHFFFAOYSA-N,2,1,0.351,21,107,472.527,6.338,6,0.3,0.73,1.0,0.36346035227194845,0.49809814269069974,0.8331077376464944,0.837888081694195,0.6331385785758344
EOS-2-30551,CCc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4ccn(C)n4)n23)cn1,GQGKAHNWWMRJNR-UHFFFAOYSA-N,2,1,0.402,92,986,427.472,2.827,5,0.407,0.71,1.0,0.22174628195462956,0.18697313412377492,0.07012884654924269,0.033925022274004527,0.1281933212254129
EOS-2-30552,CCc1nccc(COc2cncc3nnc(-c4ccc(-c5cc(C)n(C)n5)nc4)n23)n1,QLWJAIFWAAJBFJ-UHFFFAOYSA-N,2,1,0.414,92,986,427.472,2.827,5,0.407,0.65,0.998,0.2544376670550339,0.21985299157014598,0.05051915564389007,0.022616681516003014,0.13685662394626824
EOS-2-30553,CCCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncn5)n34)cn2)c1,NUJBQFZMYGZOCT-UHFFFAOYSA-N,2,1,0.443,65,579,427.472,2.871,5,0.372,0.65,0.999,0.3634689191967651,0.27641182920978685,0.0723048454526763,0.05115310808032349,0.19083467548488794
EOS-2-30554,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)cn2)c(C)n1,MHLDJMGNCZMBDN-UHFFFAOYSA-N,2,1,0.482,65,986,427.472,2.615,5,0.407,0.72,1.0,0.3612158179699815,0.204972243163594,0.10798608731409773,0.056567404564457545,0.18268538825303268
EOS-2-30555,CC(C)n1cc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)cn1,IULOJJOSLFZAMO-UHFFFAOYSA-N,2,1,0.471,65,361,427.472,3.042,5,0.39,0.66,1.0,0.44724487697895965,0.2660629840312521,0.21121753135494484,0.1077033787951477,0.25805719279007605
EOS-2-30556,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)ccn2)n1,JJUPVCYHAOCPFR-UHFFFAOYSA-N,2,1,0.512,65,530,427.472,2.615,5,0.407,0.69,1.0,0.295130559934206,0.12144472620108286,0.07649407168802687,0.045798780069906106,0.13471703447330546
EOS-2-30557,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(C)n5)n34)nn2C)cn1,VMHFSQQMBXBHDO-UHFFFAOYSA-N,2,1,0.436,31,235,427.472,2.615,5,0.407,0.7,1.0,0.20821054074429443,0.06533136865190871,0.07231341237749297,0.04437667055033925,0.09755799808100885
EOS-2-30558,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cncc(C)n4)n23)c1,BBEAPQAWBUCFQU-UHFFFAOYSA-N,2,1,0.477,20,931,427.472,2.79,5,0.39,0.66,1.0,0.27058632033445273,0.1353831128778014,0.03924508258515523,0.030763827016654102,0.11899458570351586
EOS-2-30559,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccn6)cn5)n34)cc2)cc1,IPDYCJDKDSYMPA-UHFFFAOYSA-N,2,1,0.397,93,651,427.471,4.977,6,0.395,0.8,1.0,0.1689397573846892,0.1911109588102255,0.607206497155781,0.6587365499280379,0.4064984408196834
EOS-2-30560,c1ccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)cc2)cc1,REYGCWAHEXCZPV-UHFFFAOYSA-N,2,1,0.391,21,810,427.471,4.977,6,0.395,0.69,1.0,0.17155266945377287,0.20498081008841065,0.5489942430265232,0.6618463436364882,0.39684351655129874
EOS-2-30561,c1ccc(-c2cccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nc5)n34)c2)cc1,LUYFOPJSLHJQKF-UHFFFAOYSA-N,2,1,0.415,93,987,427.471,4.977,6,0.395,0.85,1.0,0.14688849290658626,0.1391268590226852,0.6766328558700568,0.7076194229319444,0.4175669076828182
EOS-2-30562,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)nc5)n34)cc2)nc1,UDTYLZSEQQHFNM-UHFFFAOYSA-N,2,1,0.348,69,479,427.471,4.977,6,0.395,0.79,1.0,0.10882564594613117,0.16197484750873825,0.6400178192036187,0.644626824754986,0.38886128435336853
EOS-2-30563,c1cc(-c2ccncc2)cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,QIVRZHOFMDMUNX-UHFFFAOYSA-N,2,1,0.353,69,30,427.471,4.977,6,0.395,0.76,1.0,0.15272256870673703,0.13539167980261804,0.7655061339181687,0.7707662257556027,0.45609665204578165
EOS-2-30564,c1ccc(-c2cc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)ccn2)cc1,NOALMJCCFWFFNF-UHFFFAOYSA-N,2,1,0.324,30,220,427.471,4.977,6,0.395,0.76,1.0,0.10883421287094784,0.10219484613803029,0.5816856281269276,0.6504437667055034,0.36078961346035227
EOS-2-30565,c1cc(-c2ccncc2)cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,LUJKSCXTWUWGPE-UHFFFAOYSA-N,2,1,0.32,69,152,427.471,4.977,6,0.395,0.72,1.0,0.1581025974916044,0.12145329312589953,0.7560996504694675,0.7729850592831198,0.4521601500925228
EOS-2-30566,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cc2)cc1,MISFGEIGRSOJLM-UHFFFAOYSA-N,2,1,0.328,69,987,427.471,4.977,6,0.395,0.77,1.0,0.10141525597971353,0.10557878144061408,0.6738743060790898,0.7158950723048455,0.39919085395106574
EOS-2-30567,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)ccn1,AMYDSXGTTJMBEU-UHFFFAOYSA-N,2,1,0.348,69,645,427.471,4.977,6,0.395,0.77,1.0,0.13348125556850113,0.1543588513467206,0.8168477143444589,0.819837571105476,0.48113134809128916
EOS-2-30568,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)cc2)ccn1,GTPARCOSJQBENJ-UHFFFAOYSA-N,2,1,0.369,41,818,427.471,4.977,6,0.395,0.84,1.0,0.12500856692481666,0.16198341443355493,0.7655147008429855,0.7707747926804195,0.45582036872044407
EOS-2-30569,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)cc1,GUXHCWPRCXNGIL-UHFFFAOYSA-N,2,1,0.406,69,987,427.471,4.977,6,0.395,0.8,1.0,0.11130148721814817,0.14278493591940236,0.6954800904667261,0.707627989856761,0.4142986258652594
EOS-2-30570,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cc1,OQYZIYKRQNRZLZ-UHFFFAOYSA-N,2,1,0.373,69,987,427.471,4.977,6,0.395,0.83,1.0,0.13626550613391816,0.14279350284421904,0.6367623877732849,0.6446353916798027,0.39011419710780615
EOS-2-30571,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)cc1,ZCZJPNLVAYROFW-UHFFFAOYSA-N,2,1,0.318,30,737,427.471,4.977,6,0.395,0.81,1.0,0.09401343293811254,0.09271126036597903,0.6655215543828388,0.704689534644644,0.3892339455828936
EOS-2-30572,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)nc1,IBKSDOOHFZLQIY-UHFFFAOYSA-N,2,1,0.338,69,479,427.471,4.977,6,0.395,0.77,1.0,0.1527311356315537,0.1657699952025221,0.7033102597491604,0.7132907271605784,0.43377552943595366
EOS-2-30573,c1ccc(-c2cnncc2-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,SHYXNUXHKRQGNP-UHFFFAOYSA-N,2,1,0.373,93,987,427.471,4.977,6,0.395,0.7,1.0,0.1581111644164211,0.1391354259475019,0.7518333219107669,0.7894849564800219,0.45964121718867795
EOS-2-30574,c1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccncc6)ncn5)n34)cc2)cc1,QVCOIEQNCUYGBE-UHFFFAOYSA-N,2,1,0.362,93,651,427.471,4.977,6,0.395,0.82,1.0,0.15007538893838668,0.1214618600507162,0.7033188266739772,0.731975190185731,0.42670781646220274
EOS-2-30575,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cc1,MYLQVTBAZHSNRE-UHFFFAOYSA-N,2,1,0.345,69,93,427.471,4.977,6,0.395,0.81,1.0,0.10884277979576451,0.13914399287231854,0.6628915084641217,0.6853882530326914,0.399066633541224
EOS-2-30576,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)cc1,ZPQMZTHBVSBMLM-UHFFFAOYSA-N,2,1,0.379,93,651,427.471,4.977,6,0.395,0.82,1.0,0.15811973134123775,0.13540024672743473,0.6304828318826674,0.6504523336303201,0.39361378589541496
EOS-2-30577,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6)nc5)n34)cn2)cc1,CVKCVAXGGUPJSL-UHFFFAOYSA-N,2,1,0.385,30,220,427.471,4.977,6,0.395,0.81,1.0,0.15812829826605443,0.15805119594270442,0.57563737920636,0.6183949009663491,0.37755294359536695
EOS-2-30578,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)cc2)cc1,DWBIUFSBJZJULU-UHFFFAOYSA-N,2,1,0.296,69,696,427.471,4.977,6,0.395,0.85,1.0,0.0757658830786101,0.09901651703104654,0.7291395380714139,0.7659173463093688,0.4174598211226098
EOS-2-30579,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)c1,QPUJTCIIHBYENM-UHFFFAOYSA-N,2,1,0.328,69,57,427.471,4.977,6,0.395,0.85,1.0,0.12501713384963334,0.17431978616955657,0.7445257350421493,0.7502570077445,0.44852991570145984
EOS-2-30580,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cc2)cc1,NIRVMNGJXBZCKC-UHFFFAOYSA-N,2,1,0.373,93,651,427.471,4.977,6,0.395,0.78,1.0,0.16077547803440476,0.16577856212733877,0.5455760400246727,0.6000788157083133,0.3680522239736824
EOS-2-30581,c1ccc(-c2ccccc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,IQACAUXTWHQJAA-UHFFFAOYSA-N,2,1,0.329,30,696,427.471,4.977,6,0.395,0.78,1.0,0.1039510657254472,0.10220341306284696,0.6872729764923583,0.7319837571105476,0.40635280309780003
EOS-2-30582,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)cc1,BIHMEIDAOCOOIN-UHFFFAOYSA-N,2,1,0.379,93,651,427.471,4.977,6,0.395,0.82,1.0,0.23282331574258106,0.17432835309437325,0.6162017682132822,0.6530909464738538,0.4191110958810226
EOS-2-30583,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)cc1,STGCSKFWANJZFW-UHFFFAOYSA-N,2,1,0.379,93,651,427.471,4.977,6,0.395,0.85,1.0,0.16349119320128846,0.15805976286752108,0.7420327599204989,0.7659259132341855,0.4573774073058735
EOS-2-30584,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)nc5)n34)nc2)cc1,RSZXFPCGPBLHQE-UHFFFAOYSA-N,2,1,0.353,30,93,427.471,4.977,6,0.395,0.82,1.0,0.07378692344595984,0.10221197998766363,0.5977229113837297,0.6388184497292851,0.35313506613665957
EOS-2-30585,c1ccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)cc1,VFJFRZJDGIQTED-UHFFFAOYSA-N,2,1,0.388,93,651,427.471,4.977,6,0.395,0.75,1.0,0.16894832430950585,0.14642587896648618,0.6277071482420671,0.6559694332122541,0.3997626961825783
EOS-2-30586,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)cn5)n34)cc2)nc1,FMQWGSKVSBLXLI-UHFFFAOYSA-N,2,1,0.343,69,479,427.471,4.977,6,0.395,0.77,1.0,0.10641834007264753,0.13176787060516756,0.6899715578096086,0.7021794256733603,0.407584298540196
EOS-2-30587,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)cn5)n34)cc2)cc1,HIAMXLUDJGTHDO-UHFFFAOYSA-N,2,1,0.373,93,651,427.471,4.977,6,0.395,0.81,1.0,0.16895689123432253,0.15436741827153724,0.6792800356384072,0.7185850866972792,0.43029735796038654
EOS-2-30588,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cc1,ABCFDVOEGLFLBF-UHFFFAOYSA-N,2,1,0.329,69,696,427.471,4.977,6,0.395,0.82,1.0,0.12502570077445,0.13177643752998425,0.7317695839901309,0.7552943595367007,0.4359665204578165
EOS-2-30589,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)cc1,LRUHWKYRZPHOEU-UHFFFAOYSA-N,2,1,0.391,21,810,427.471,4.977,6,0.395,0.79,1.0,0.21349633335617846,0.15029812898362005,0.7561082173942841,0.7894935234048386,0.4773490507847303
EOS-2-30590,c1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccccn6)n5)n34)cc2)cc1,ALAKZNOQBBQHNB-UHFFFAOYSA-N,2,1,0.385,93,651,427.471,4.977,6,0.395,0.72,1.0,0.15542971694880406,0.15437598519635393,0.6010640120622301,0.661854910561305,0.3931811561921733
EOS-2-30591,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)nc1,RMZTXTLXLIFLSR-UHFFFAOYSA-N,2,1,0.324,69,645,427.471,4.977,6,0.395,0.78,1.0,0.10885134672058118,0.14643444589130286,0.7630645603454184,0.7682903844835858,0.44666018436022203
EOS-2-30592,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccncc6)cn5)n34)cc2)cc1,SJNDSBBGYPKTCG-UHFFFAOYSA-N,2,1,0.391,93,987,427.471,4.977,6,0.395,0.85,1.0,0.1334898224933178,0.14644301281611952,0.6516688369542869,0.6993009389349599,0.40772565279967105
EOS-2-30593,c1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cc1,SOGAAWXFUGVDNB-UHFFFAOYSA-N,2,1,0.373,93,651,427.471,4.977,6,0.395,0.81,1.0,0.1442413131382359,0.1317850044548009,0.565656911794942,0.5912034815982455,0.3582216777465561
EOS-2-30594,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cccnc6)n5)n34)cc2)cc1,WAYAIRGFIAMGKR-UHFFFAOYSA-N,2,1,0.362,93,651,427.471,4.977,6,0.395,0.8,1.0,0.16078404495922144,0.1619919813583716,0.6041738057706806,0.6504609005551367,0.3943526831608526
EOS-2-30595,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)nc1,ZRLZSYJLRISVNB-UHFFFAOYSA-N,2,1,0.338,69,57,427.471,4.977,6,0.395,0.77,1.0,0.11957713659104928,0.1503066959084367,0.6954886573915428,0.6993095058597766,0.4161704989377013
EOS-2-30596,CCOc1cccc(-c2ncccc2-c2nnc3cncc(OCc4ccn(C)n4)n23)c1,ZIOLFFCNOAVTID-UHFFFAOYSA-N,2,1,0.443,4,506,427.468,3.565,5,0.392,0.75,0.996,0.17156123637858955,0.13915255979713523,0.31220444109382495,0.20913576862449454,0.20801350147351108
EOS-2-30597,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccccc4O)n23)c1,QUZOVRNYXLVRGW-UHFFFAOYSA-N,2,1,0.636,15,309,427.468,3.397,5,0.425,0.73,1.0,0.3308889041189775,0.20046604071002672,0.20059454458227674,0.1753221163731067,0.22681790144609693
EOS-2-30598,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5cccc(OC)c5)n34)c2)cn1,HJSFNHQBENNNPK-UHFFFAOYSA-N,2,1,0.43,89,711,427.468,3.657,5,0.391,0.77,1.0,0.1743112192447399,0.12515420464670002,0.43036803509012406,0.2769344116236036,0.2516919676512919
EOS-2-30599,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(O)cc5)n34)c2)nn1C,QJORWBPENQDMJH-UHFFFAOYSA-N,2,1,0.653,15,309,427.468,3.222,5,0.444,0.74,1.0,0.42900589404427386,0.25072818860941676,0.20764512370639435,0.15674045644575424,0.2610299157014598
EOS-2-30600,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)c(O)c3)n12,FTQDKHBRESBXKD-UHFFFAOYSA-N,2,1,0.506,15,545,427.468,3.222,5,0.444,0.63,1.0,0.2730535946816531,0.22519875265574668,0.29770920430402303,0.2385031868960318,0.25861618463436364
EOS-2-30601,COc1cc(-c2nnc3cncc(OCc4ccnc(C)c4)n23)ccc1-c1cnn(C)c1,LKHMEYPCRPCKIW-UHFFFAOYSA-N,2,1,0.494,16,83,427.468,3.483,5,0.41,0.69,1.0,0.35899698444246453,0.1743369200191899,0.562101637996025,0.33879617572476184,0.3585579295456103
EOS-2-30602,COc1cc(-c2nnc3cncc(OCc4cccc(C)n4)n23)ccc1-c1ccnn1C,RYFUZMCKQJQJEV-UHFFFAOYSA-N,2,1,0.505,4,224,427.468,3.483,5,0.41,0.73,1.0,0.2705948872592694,0.10558734836543074,0.4155815228565554,0.2266037283256802,0.2545918717017339
EOS-2-30603,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4OC)n23)cc1,WFNLBWIEXUEDPV-UHFFFAOYSA-N,2,1,0.536,43,520,427.468,3.657,5,0.391,0.67,1.0,0.43555959152902474,0.2456651360427661,0.3414947570420122,0.23249777259954765,0.31380431430333766
EOS-2-30604,COc1cc(-c2nnc3cncc(OCc4ccnc(C)c4)n23)ccc1-c1ccn(C)n1,GWWNFJNPZRICHF-UHFFFAOYSA-N,2,1,0.483,16,591,427.468,3.483,5,0.41,0.71,1.0,0.3519292714687136,0.15806832979233773,0.49061921732574876,0.27694297854842026,0.3193899492838051
EOS-2-30605,COc1nc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1nccn1C,KJPUNZAYSQBSNE-UHFFFAOYSA-N,2,1,0.566,49,551,427.468,3.217,5,0.394,0.77,1.0,0.4472534439037763,0.07623706394352683,0.17402851072578987,0.11250085669248167,0.20250496881639365
EOS-2-30606,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ncn(C)n4)cc3)n12,AQLZTOMXCRYJMB-UHFFFAOYSA-N,2,1,0.641,91,309,427.468,3.217,5,0.394,0.77,1.0,0.4808186553354808,0.3174559660064423,0.3378966486190117,0.2063258172846275,0.33562427181139065
EOS-2-30607,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1nccn1C,RKBDPADUYGNCAC-UHFFFAOYSA-N,2,1,0.573,35,604,427.468,3.217,5,0.394,0.75,1.0,0.4588530601055445,0.13540881365225138,0.38321568089918445,0.23851175382084847,0.3039973271194572
EOS-2-30608,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cnn(C)c1,NVURNVKSEZFQTJ-UHFFFAOYSA-N,2,1,0.58,15,393,427.468,3.217,5,0.394,0.73,1.0,0.3888527174285518,0.2004746076348434,0.5115225138784182,0.3357292166403948,0.35914476389555205
EOS-2-30609,COc1ccc(C(C)Oc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)cn1,BFDXSWAMSBDOIU-UHFFFAOYSA-N,2,1,0.477,15,889,427.468,3.735,5,0.408,0.61,1.0,0.41498183811938866,0.3019755328627236,0.6367709546981015,0.38708793091631827,0.435204064149133
EOS-2-30610,Cc1cccc(-c2nn(C)cc2COc2cncc3nnc(-c4ccc(CO)cc4)n23)n1,JZMHCHJKXOIJFF-UHFFFAOYSA-N,2,1,0.529,89,250,427.468,2.967,5,0.444,0.79,0.999,0.3381622232883284,0.2099153587828113,0.35308580631896375,0.25895243643341787,0.2900289562058803
EOS-2-30611,COc1cc(-c2nnc3cncc(OCc4ccncc4C)n23)ccc1-c1ccnn1C,YZAJGRMPMDMXBQ-UHFFFAOYSA-N,2,1,0.456,16,591,427.468,3.483,5,0.41,0.75,1.0,0.3844321842231513,0.11202967582756494,0.5115310808032348,0.3042629017887739,0.3280639606606812
EOS-2-30612,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cncn1C,WBWJSYWJDFQVFC-UHFFFAOYSA-N,2,1,0.605,15,771,427.468,3.217,5,0.394,0.7,1.0,0.5391080117880885,0.2351278185182647,0.3757710232335001,0.23547049551093138,0.3463693372626962
EOS-2-30613,Cc1ncc(-c2nnc3cncc(-c4ncc(-c5cscn5)s4)n23)c(-c2ccc(F)cc2)n1,KFQSAQVYUGGRHJ-UHFFFAOYSA-N,2,1,0.325,32,321,472.534,4.943,6,0.358,0.55,0.82,0.23846035227194845,0.3608217394284148,0.2501627715715167,0.3258943869508601,0.293834812555685
EOS-2-30614,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4ccc(-c5csc(F)n5)cn4)n23)s1,CXSUSDYXDRRUGU-UHFFFAOYSA-N,2,1,0.295,32,368,472.534,4.943,6,0.358,0.67,1.0,0.15273970255637037,0.3124271811390583,0.16122952504968815,0.20914433554931122,0.208885186073607
EOS-2-30615,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cncs5)nn4)n23)s1,ZDTXHVKNMYXJSD-UHFFFAOYSA-N,2,1,0.333,3,572,472.534,4.943,6,0.358,0.66,0.633,0.16349976012610512,0.35121821670893016,0.22856555410869714,0.3290384483585772,0.2680804948255774
EOS-2-30616,Cc1nc(-c2ncc(F)cn2)c(-c2nnc3cncc(-c4ccc(-c5nccs5)cc4)n23)s1,NQTPRRVTWJVXJV-UHFFFAOYSA-N,2,1,0.28,42,339,472.534,4.943,6,0.358,0.7,1.0,0.2412960043862655,0.312435748063875,0.13042286340895073,0.20333596052361044,0.22187264409567542
EOS-2-30617,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)s1,LJAXWDGFOKFESG-UHFFFAOYSA-N,2,1,0.337,32,572,472.534,4.943,6,0.358,0.66,1.0,0.07789904735796038,0.2606229867726681,0.2572133506956343,0.36159276266191487,0.2393320368720444
EOS-2-30618,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)c(-c2ccc(F)cn2)n1,UUCOTAVQLJQXME-UHFFFAOYSA-N,2,1,0.282,76,653,472.534,4.943,6,0.358,0.53,0.989,0.12224145020903296,0.29719518881502294,0.30493112192447397,0.3616013295867315,0.27149227263381537
EOS-2-30619,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nn6)cc5)n34)s2)s1,FCXXODCNPJQTDS-UHFFFAOYSA-N,2,1,0.329,38,270,472.534,4.943,6,0.358,0.65,0.997,0.2328318826673977,0.3512267836337468,0.2643238982934686,0.3167363443218422,0.2912797272291138
EOS-2-30620,c1ccc(-c2nn3ccccc3c2-c2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)cc1,GLEWZTLBMNMMOZ-UHFFFAOYSA-N,2,1,0.321,93,538,472.537,5.292,7,0.346,0.69,1.0,0.05034781714755671,0.12147042697553287,0.44166780892330887,0.552994996915907,0.2916202624905764
EOS-2-30621,Fc1ccc(-c2cscc2-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)cc1F,JWVMZGWCGSVMDZ-UHFFFAOYSA-N,2,1,0.343,69,484,472.545,7.194,6,0.273,0.72,1.0,0.29513912685902266,0.48385134672058117,0.957216777465561,0.9663662531697622,0.6756433760537318
EOS-2-30622,Cn1cc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)s2)nn1,PYIBSWAGUYPRFZ-UHFFFAOYSA-N,2,1,0.284,70,813,427.453,3.365,6,0.421,0.62,0.968,0.014992118429168666,0.03579261188403811,0.0809831402919608,0.1055188129668974,0.05932167089301624
EOS-2-30623,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5cncc(C#N)n5)c4)n23)n1,LYSMFPJCNMIDNY-UHFFFAOYSA-N,2,1,0.478,7,99,427.453,2.859,5,0.416,0.68,1.0,0.41266876841888833,0.4313189637447742,0.1426221643478857,0.12174456856966623,0.2770886162703036
EOS-2-30624,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6conn6)cc5)n34)s2)cn1,ULHPPYPBQQQWMP-UHFFFAOYSA-N,2,1,0.307,98,714,427.453,3.365,6,0.421,0.59,1.0,0.06067952847645809,0.08321054074429443,0.1969878692344596,0.19728771160304298,0.13454141251456378
EOS-2-30625,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)s4)n23)cn1,HYDPUNSKZLCJQG-UHFFFAOYSA-N,2,1,0.296,76,272,427.453,3.365,6,0.421,0.66,0.991,0.04891714070317319,0.1022205469124803,0.10265746007813036,0.12404907134534987,0.09446105475978343
EOS-2-30626,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6c[nH]nn6)s5)n34)cc2)o1,WVYGXDCEAWKMHH-UHFFFAOYSA-N,2,1,0.272,42,303,427.453,3.663,6,0.452,0.59,1.0,0.10885991364539785,0.1743454869440066,0.16746624631622234,0.16455349187855528,0.15380628469604551
EOS-2-30627,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)c(C#N)n1,RIEXUKRAJCNXMR-UHFFFAOYSA-N,2,1,0.467,55,879,427.453,2.859,5,0.416,0.65,1.0,0.47853985333424714,0.4884689191967651,0.1803080666164074,0.1416112672195189,0.3222320265917346
EOS-2-30628,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)[nH]n2)s1,OSMLLQOHZICUBS-UHFFFAOYSA-N,2,1,0.301,38,193,427.453,3.663,6,0.452,0.69,0.993,0.11958570351586595,0.20498937701322734,0.1079946542389144,0.12405763827016654,0.13915684325954356
EOS-2-30629,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccoc5)s4)n23)cn1,NFIKSXOBZRKVRW-UHFFFAOYSA-N,2,1,0.294,86,812,427.453,3.365,6,0.421,0.62,0.709,0.06792714687135906,0.05738982934685765,0.06384072373380852,0.07890137756151051,0.06701476937838394
EOS-2-30630,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4conc4-c4ccsc4)n23)nc1,UWOWIYNQWUFJIW-UHFFFAOYSA-N,2,1,0.295,86,968,427.453,3.365,6,0.421,0.69,0.996,0.08012644781029402,0.06120211089027483,0.10800322116373107,0.13684805702145159,0.09654495922143788
EOS-2-30631,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)s5)n34)cc2)no1,GFPFEVNGHLOIMV-UHFFFAOYSA-N,2,1,0.281,38,126,427.449,4.533,6,0.404,0.66,1.0,0.24365190871084916,0.209923925707628,0.17714687135905696,0.17818346926187376,0.20222654375985197
EOS-2-30632,Cc1sc(-c2ccns2)nc1COc1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,XOIWQMRFENILKC-UHFFFAOYSA-N,2,1,0.483,40,120,472.555,5.519,6,0.315,0.65,1.0,0.3726954972243164,0.3561956000274142,0.19353539853334248,0.21236549928037832,0.28369799876636287
EOS-2-30633,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)n1,JJMNMZPDZJDUSC-UHFFFAOYSA-N,2,1,0.581,35,234,427.443,3.712,5,0.408,0.68,1.0,0.9182030018504558,0.8693543965458159,0.5689466109245426,0.5165341648961689,0.7182595435542457
EOS-2-30634,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,SXXREIXLIDIQEK-UHFFFAOYSA-N,2,1,0.552,35,4,427.443,3.712,5,0.408,0.74,1.0,0.8057621136316908,0.795516071550956,0.62497429922555,0.5530035638407237,0.6948140120622301
EOS-2-30635,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cn2)n1,XWRNRRQFBCBORT-UHFFFAOYSA-N,2,1,0.639,84,73,427.443,3.712,5,0.408,0.69,1.0,0.8290555822082105,0.8512867521074635,0.5218370913576863,0.48439106298403123,0.6716426221643479
EOS-2-30636,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)cn1,TUDIAQIDEMLMBY-UHFFFAOYSA-N,2,1,0.556,11,76,427.443,3.712,5,0.382,0.78,1.0,0.889855047632102,0.8883130011651018,0.5880422863408951,0.49938318141319993,0.7163983791378247
EOS-2-30637,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)ncn1,MSRVAMTVVMKEQK-UHFFFAOYSA-N,2,1,0.505,11,490,427.443,3.712,5,0.408,0.72,1.0,0.8030121307655405,0.7305530806661641,0.5353642656432047,0.48439962990884794,0.6383322767459393
EOS-2-30638,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nc2)n1,PIJGFNZYEFVFNC-UHFFFAOYSA-N,2,1,0.533,18,159,427.443,3.712,5,0.408,0.76,1.0,0.7516105818655335,0.7121855938592283,0.5188129668974025,0.48714104585018164,0.6174375471180865
EOS-2-30639,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)cn1,AGEUGHRSNIWQEH-UHFFFAOYSA-N,2,1,0.59,35,426,427.443,3.712,5,0.408,0.73,1.0,0.8898636145569186,0.8749057638270167,0.6101877869919814,0.5465184017545062,0.7303688917826057
EOS-2-30640,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ccn2)cn1,XWNBHOYYJAJHRM-UHFFFAOYSA-N,2,1,0.619,75,583,427.443,3.712,5,0.408,0.71,1.0,0.8186896031800425,0.707473785210061,0.5389109725173052,0.4931378932218491,0.6395530635323146
EOS-2-30641,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)n1,XDTNOZMKRHTHNW-UHFFFAOYSA-N,2,1,0.527,75,583,427.443,3.712,5,0.408,0.7,0.999,0.7394883832499486,0.6779521622918238,0.4593328078952779,0.4152731135631554,0.5730116167500514
EOS-2-30642,Cc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cccnc1,JMBVVHLMSHVDHI-UHFFFAOYSA-N,2,1,0.446,18,529,427.443,3.712,5,0.382,0.69,1.0,0.7946251113700226,0.6779607292166404,0.5151977246247686,0.4627424439723117,0.6126315022959359
EOS-2-30643,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cn1,FNCIULLKRQQRBA-UHFFFAOYSA-N,2,1,0.527,15,4,427.443,3.712,5,0.408,0.71,1.0,0.8214310191213762,0.7998852032074566,0.5422349393461723,0.4901309026111987,0.663420516071551
EOS-2-30644,Cc1ncccc1-c1cccc(-c2nnc3cncc(OCCc4cncc(F)n4)n23)c1,YAZPIFFKCUZINU-UHFFFAOYSA-N,2,1,0.511,15,846,427.443,3.712,5,0.408,0.64,1.0,0.7516191487903502,0.6828867109862243,0.4629223493934617,0.4282006031115071,0.5814072030703858
EOS-2-30645,Cc1ccc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)cc1-c1cnccn1,AXYKUKIHXLSPDH-UHFFFAOYSA-N,2,1,0.489,16,606,427.443,3.978,5,0.419,0.66,1.0,0.7426410115824823,0.6779692961414571,0.6709701185662394,0.5564646014666575,0.662011256939209
EOS-2-30646,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)cn1,GNCZMBOVZZXCCV-UHFFFAOYSA-N,2,1,0.495,11,173,427.443,3.712,5,0.382,0.79,1.0,0.8057706805565075,0.8512953190322802,0.4939003495305325,0.42820917003632375,0.644793879788911
EOS-2-30647,Cc1cccnc1CCOc1cncc2nnc(-c3cncc(-c4ncccc4F)c3)n12,SBHDCHHVKUGMOV-UHFFFAOYSA-N,2,1,0.495,87,307,427.443,3.712,5,0.408,0.7,1.0,0.7183195120279624,0.6927301076005757,0.4232831882667398,0.40553252004660406,0.5599663319854705
EOS-2-30648,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cc1F,JBNXCSQJRZAFMS-UHFFFAOYSA-N,2,1,0.543,35,76,427.443,3.712,5,0.408,0.74,1.0,0.8727383318483997,0.8447330546227126,0.5656654787197588,0.49314646014666574,0.6940708313343842
EOS-2-30649,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cn4)n23)nn1,OXLJYNDQALPQNK-UHFFFAOYSA-N,2,1,0.471,19,132,427.443,3.712,5,0.408,0.78,1.0,0.6849170721677746,0.7258155712425468,0.4343259543554246,0.45336166129806044,0.5746050647659515
EOS-2-30650,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cnc(C)nc5)c4)n23)ccn1,JYEDTSTYSXZRFI-UHFFFAOYSA-N,2,1,0.536,16,253,427.443,3.978,5,0.419,0.73,1.0,0.8593053937358646,0.7955246384757727,0.7007487492289768,0.5850352957302447,0.7351535192927147
EOS-2-30651,Cc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)cc5)c4)n23)n1,WLQDCUZROLWRPD-UHFFFAOYSA-N,2,1,0.518,87,846,427.443,3.712,5,0.408,0.73,1.0,0.7151411829209787,0.7533239668288672,0.5008909601809335,0.5095092865465013,0.6197163491193202
EOS-2-30652,NCc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)c2)cn1,KWFGYLRKOPGMTN-UHFFFAOYSA-N,2,1,0.578,97,137,427.443,3.425,5,0.443,0.74,1.0,0.5684240285107258,0.42676992666712354,0.7265780275512302,0.6879583304776917,0.6024325783016928
EOS-2-30653,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)cn1,SVMWGLQHQDTMLD-UHFFFAOYSA-N,2,1,0.631,84,858,427.443,3.712,5,0.408,0.68,1.0,0.7061887464875608,0.712194160784045,0.5849324926324446,0.5366321705160716,0.6349868926050304
EOS-2-30654,Cc1cncc(-c2cccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)n1,RYEXETQIPGINHB-UHFFFAOYSA-N,2,1,0.5,15,846,427.443,3.712,5,0.408,0.72,1.0,0.7633901034884518,0.6975275854979097,0.4416763758481256,0.4184257418956891,0.580254951682544
EOS-2-30655,Cc1ccc(-c2ncccc2-c2nnc3cncc(OCCc4cccc(F)n4)n23)cn1,YBYVHHPTSMJYCZ-UHFFFAOYSA-N,2,1,0.511,11,848,427.443,3.712,5,0.382,0.65,1.0,0.7863066273730381,0.7446285381399493,0.4117178397642382,0.3777414159413337,0.5800986053046399
EOS-2-30656,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2)nn1,ZUEBHLPCEJFRPH-UHFFFAOYSA-N,2,1,0.575,72,889,427.443,3.712,5,0.408,0.67,1.0,0.8766876841888835,0.8909944486327188,0.5008995271057501,0.46580083613186213,0.6835956240148037
EOS-2-30657,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cc2)nn1,WYPNBHAFELLRKI-UHFFFAOYSA-N,2,1,0.57,72,889,427.443,3.712,5,0.408,0.73,1.0,0.888047426495785,0.8910030155575355,0.49732711945719965,0.4533702282228771,0.6824369474333493
EOS-2-30658,Cc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)nn1,JYBFCKGAPVVUAG-UHFFFAOYSA-N,2,1,0.533,72,628,427.443,3.712,5,0.408,0.75,1.0,0.7245648002193132,0.7664656294976355,0.4837057089986978,0.4563857857583442,0.6077804811184977
EOS-2-30659,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ncn4)n23)n1,SNKQYJDNWIORMR-UHFFFAOYSA-N,2,1,0.452,44,130,427.443,3.712,5,0.408,0.76,1.0,0.7151497498457954,0.6244945514358166,0.4524878349667603,0.44373243780412586,0.5589661435131246
EOS-2-30660,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccc2F)nn1,LOHUARVDJXYTKQ-UHFFFAOYSA-N,2,1,0.598,72,275,427.443,3.712,5,0.408,0.73,1.0,0.8766962511137002,0.8513038859570968,0.48740662051949835,0.45639435268316086,0.6679502775683641
EOS-2-30661,Cc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,OWLPHZAOYPPYMS-UHFFFAOYSA-N,2,1,0.511,2,904,427.443,3.712,5,0.408,0.73,1.0,0.7426495785072991,0.6927386745253924,0.5689551778493592,0.5133130011651018,0.6294141080117881
EOS-2-30662,Cc1cnc(-c2ncccc2-c2nnc3cncc(OCCc4cccc(F)c4)n23)cn1,GMNGZYORYDEOSE-UHFFFAOYSA-N,2,1,0.605,11,159,427.443,3.712,5,0.408,0.68,1.0,0.7394969501747652,0.7833596052361045,0.44522308272222605,0.43448872592694127,0.6006420910150093
EOS-2-30663,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)s4)n23)nn1,BAVKNHPFTOXONL-UHFFFAOYSA-N,2,1,0.368,6,843,472.559,4.351,6,0.356,0.62,0.995,0.2677506682201357,0.19577136591049277,0.1304314303337674,0.13026009183743403,0.18105338907545748
EOS-2-30664,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3nc(C)sc3-c3ccsc3)n12,KOLFKWHTSMTQBK-UHFFFAOYSA-N,2,1,0.275,82,478,472.559,4.745,6,0.386,0.61,0.986,0.11131005414296484,0.0927198272907957,0.16429648413405523,0.1488503186896032,0.12929417106435476
EOS-2-30665,Cc1ccnc(Oc2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2)c1,PHILZSOYCXLNBX-UHFFFAOYSA-N,2,1,0.598,1,881,427.439,5.005,5,0.379,0.8,1.0,0.9470221369337263,0.8720701117126997,0.8584744020286478,0.7940511274073059,0.867904444520595
EOS-2-30666,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5F)nc4)n23)cc1,MGLVKBHHLBSNGH-UHFFFAOYSA-N,2,1,0.565,1,709,427.439,4.064,5,0.44,0.84,1.0,0.9656037968610788,0.7955332054005894,0.8832842162977178,0.8508070043177302,0.8738070557192791
EOS-2-30667,COc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(F)cn4)c3)n12,NRTVEZYNQBWHNI-UHFFFAOYSA-N,2,1,0.506,1,709,427.439,4.58,5,0.395,0.79,1.0,0.9126430676444384,0.6975361524227264,0.8346840518127613,0.7528185182646837,0.7994204475361524
EOS-2-30668,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(F)c5)cn4)n23)cc1,OIWOSTQLFVQGAA-UHFFFAOYSA-N,2,1,0.59,1,347,427.439,4.064,5,0.44,0.83,1.0,0.8186981701048591,0.7788705366321705,0.8843807826742512,0.8576862449455144,0.8349089335891988
EOS-2-30669,COc1ccccc1-c1nnc2cncc(OCc3cccc(-c4ccc(F)nc4)c3)n12,YHOYDZYCHMJDBM-UHFFFAOYSA-N,2,1,0.547,1,347,427.439,4.58,5,0.369,0.83,1.0,0.8002878486738401,0.6291806593105339,0.8556216160646974,0.7824772119799877,0.7668918340072648
EOS-2-30670,COc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccc(F)cc4)n23)cc1,OXLAGRMHDPWNMS-UHFFFAOYSA-N,2,1,0.63,1,709,427.439,4.58,5,0.395,0.8,1.0,0.9756013981221301,0.9155558220821054,0.8365088067987115,0.7707833596052361,0.8746123466520458
EOS-2-30671,COc1cccnc1-c1cccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)c1,CBLMOWJSLZFMQT-UHFFFAOYSA-N,2,1,0.558,1,709,427.439,4.58,5,0.395,0.8,1.0,0.8898721814817353,0.8118017956274416,0.8202402165718594,0.7502655746693166,0.8180449420875883
EOS-2-30672,Fc1cncc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,RKQTVRDIZHWKOY-UHFFFAOYSA-N,2,1,0.605,79,881,427.439,4.739,5,0.374,0.76,1.0,0.9756099650469467,0.934574395175108,0.7921578370228223,0.7682989514084024,0.8676602871633199
EOS-2-30673,COc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,HIHHHOVAWPELNR-UHFFFAOYSA-N,2,1,0.62,1,709,427.439,4.58,5,0.395,0.8,1.0,0.9823778356521143,0.9330666164073744,0.837990884791995,0.7707919265300528,0.8810568158453842
EOS-2-30674,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncc(F)c5)c4)n23)cc1,ZULYTRUVRMUREW-UHFFFAOYSA-N,2,1,0.576,1,230,427.439,4.064,5,0.44,0.76,1.0,0.9487697895963265,0.7705349187855527,0.9101072578987047,0.882067712973751,0.8778699198135836
EOS-2-30675,COc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cc2)nc1,VWOFFGDJAJGTHT-UHFFFAOYSA-N,2,1,0.667,1,709,427.439,4.58,5,0.395,0.84,1.0,0.982386402576931,0.9360907408676582,0.8729011034199163,0.807072853128641,0.8996127749982866
EOS-2-30676,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)cn5)c4)n23)cc1,PBRNVIBQUOPWOX-UHFFFAOYSA-N,2,1,0.576,1,709,427.439,4.064,5,0.44,0.79,1.0,0.9557946679459941,0.8157682818175588,0.8900692207525187,0.8542166403947639,0.8789622027277089
EOS-2-30677,COc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)cc3)n12,YODQMOGQLHSMEZ-UHFFFAOYSA-N,2,1,0.561,1,347,427.439,4.58,5,0.369,0.83,1.0,0.9550065108628607,0.8308974710437941,0.8729096703447331,0.7940596943321225,0.8632183366458777
EOS-2-30678,COc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnc5)c4)n23)cc1,XCELOMSUKXGUCP-UHFFFAOYSA-N,2,1,0.646,1,326,427.439,4.58,5,0.395,0.82,1.0,0.9733397299705298,0.8802686587622507,0.9007093413748201,0.8399098759509287,0.8985569015146323
EOS-2-30679,OCc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccc5)n4)n23)cc1,UBIUBCHHUKSAMO-UHFFFAOYSA-N,2,1,0.517,1,58,427.439,4.064,5,0.44,0.8,1.0,0.8727468987732163,0.791883695428689,0.8111849770406415,0.7779538756767871,0.8134423617298335
EOS-2-30680,Oc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1cccnc1,SDBZJNDMFPKHBJ-UHFFFAOYSA-N,2,1,0.667,91,883,427.439,4.32,5,0.434,0.71,1.0,0.9453173188952094,0.8544051127407306,0.8379994517168118,0.8160338564868754,0.8634389349599068
EOS-2-30681,COc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1cnncn1,XCIKHNGYTJSEHE-UHFFFAOYSA-N,2,1,0.462,15,771,427.428,2.063,5,0.381,0.65,1.0,0.5391165787129052,0.29216640394763893,0.14553491878555275,0.09131485162086217,0.2670331882667398
EOS-2-30682,COc1cccnc1COc1cncc2nnc(-c3ccc(-c4cncc(C)n4)nn3)n12,VBOLKCRWEPLKMG-UHFFFAOYSA-N,2,1,0.396,53,587,427.428,2.329,5,0.398,0.55,0.992,0.30792097868549106,0.13541738057706806,0.08350181618806113,0.045807346994722775,0.14316188061133575
EOS-2-30683,CCOc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cn1,PRLOBAUTVKRXHR-UHFFFAOYSA-N,2,1,0.421,7,535,427.428,2.411,5,0.382,0.64,1.0,0.37043382907271605,0.317464532931259,0.18353779727229114,0.09925639092591323,0.24267313755054484
EOS-2-30684,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)cn1,LNWAMZFSSXGRDE-UHFFFAOYSA-N,2,1,0.483,65,361,427.428,2.063,5,0.381,0.67,1.0,0.6363683092317182,0.45773079295456104,0.13651394695360153,0.07508909601809334,0.3264255362894935
EOS-2-30685,OCc1nc(-c2cnccn2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,DSKAFBPDQHOGSG-UHFFFAOYSA-N,2,1,0.453,18,324,427.428,1.547,5,0.407,0.65,1.0,0.3612243848947982,0.16200054828318827,0.08099170721677747,0.07306730176135974,0.16932098553903094
EOS-2-30686,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)cn2)cn1,YUNQEMHDUFYIEO-UHFFFAOYSA-N,2,1,0.413,7,903,427.428,2.329,5,0.398,0.68,1.0,0.43806113357549176,0.23513638544308135,0.12221574943458297,0.04991090398190665,0.2113310431087657
EOS-2-30687,COc1ncncc1-c1ccc(-c2nnc3cncc(OCc4cnccn4)n23)nc1C,VYDMGEINSSASRI-UHFFFAOYSA-N,2,1,0.361,7,535,427.428,2.329,5,0.398,0.69,1.0,0.2977434720032897,0.13916112672195188,0.12482009457884997,0.058083750257007745,0.15495211089027483
EOS-2-30688,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)nc4)n23)n1,QOXKJYNPPHKHQJ-UHFFFAOYSA-N,2,1,0.443,58,579,427.428,2.063,5,0.381,0.62,0.999,0.5910835446508121,0.39907305873483656,0.12222431635939963,0.07307586868617641,0.29636419710780615
EOS-2-30689,COc1nc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1cncc(C)n1,JBDGXOFJXFQXHX-UHFFFAOYSA-N,2,1,0.388,7,587,427.428,2.329,5,0.398,0.56,1.0,0.3079295456103077,0.1251627715715167,0.0835103831128778,0.042003632376122264,0.13965158316770612
EOS-2-30690,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)nn2)cn1,LOBLBQIQNDISAN-UHFFFAOYSA-N,2,1,0.404,53,658,427.428,2.063,5,0.381,0.69,0.993,0.44474333493249263,0.26063155369748475,0.09760297443629634,0.059574395175107944,0.2156380645603454
EOS-2-30691,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)nn1,KILQLSDNNWLHQC-UHFFFAOYSA-N,2,1,0.494,65,981,427.428,2.063,5,0.381,0.64,1.0,0.6421766842574189,0.41796312795558904,0.09065519840997875,0.058092317181824414,0.3022218319512028
EOS-2-30692,COc1nccc(-c2ccc(-c3nnc4cncc(OCc5ncc(C)cn5)n34)nc2)n1,JNHWFZSTBBMKTP-UHFFFAOYSA-N,2,1,0.385,51,113,427.428,2.329,5,0.398,0.64,1.0,0.42192961414570623,0.20048317455966005,0.07232197930230964,0.028964772805153863,0.18092488520320746
EOS-2-30693,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cn2)cn1,GQMHMXKWSUXECH-UHFFFAOYSA-N,2,1,0.453,87,903,427.428,2.063,5,0.381,0.67,1.0,0.4785484202590638,0.43132753066959084,0.08829929408539511,0.04991947090672332,0.26202367898019324
EOS-2-30694,Cc1cc(COc2cncc3nnc(-c4cc(-c5cnn(C)c(=O)c5)cnn4)n23)ccn1,QLLITDOKVZUHEK-UHFFFAOYSA-N,2,1,0.389,92,182,427.428,1.624,5,0.411,0.6,1.0,0.2520560619560003,0.06121067781509149,0.16430505105887191,0.11487389486669865,0.14811142142416558
EOS-2-30695,OCc1ccc(-c2nnc3cncc(OCc4ccc(Oc5cccnc5)nn4)n23)cc1,KHSHJQKVPFQEEU-UHFFFAOYSA-N,2,1,0.534,89,731,427.424,2.84,5,0.418,0.76,1.0,0.6195000342676993,0.3990816256596532,0.4593413748200946,0.34189740250839556,0.45495510931396066
EOS-2-30696,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(O)c4)n23)c1,WQHGZCMMCPZYFK-UHFFFAOYSA-N,2,1,0.484,4,61,427.424,2.937,5,0.436,0.57,1.0,0.43316085258035775,0.28138064560345416,0.487415187444315,0.3167449112466589,0.3796753992186964
EOS-2-30697,COc1cccc(COc2cncc3nnc(-c4ccc(Oc5cncnc5)cc4)n23)n1,GHBFNIHKSMRGCV-UHFFFAOYSA-N,2,1,0.534,4,61,427.424,3.356,5,0.386,0.73,1.0,0.5910921115756288,0.42234939346172296,0.452496401891577,0.2798985676101707,0.4364591186347748
EOS-2-30698,COc1cc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)c(OC)c4)n23)ccn1,AFZWGXNKHNVELY-UHFFFAOYSA-N,2,1,0.437,13,83,427.424,3.453,5,0.402,0.64,1.0,0.4331694195051744,0.16975361524227264,0.5588804742649579,0.3324395175107943,0.37356075663079985
EOS-2-30699,O=C(Nc1cccc(F)c1)c1ccc(-c2nnc3cncc(-c4ccc(F)cc4)n23)cc1,VAFPENTUDYHJBW-UHFFFAOYSA-N,2,1,0.547,83,504,427.414,4.989,5,0.439,0.88,1.0,0.30549653896237405,0.39909019258446987,0.9091734630936879,0.9022171201425536,0.6289943286957713
EOS-2-30700,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(C#N)cc3)n12,OEVOMJPKXKZDKH-UHFFFAOYSA-N,2,1,0.529,36,731,427.403,2.572,5,0.42,0.69,1.0,0.6421852511822356,0.6828952779110411,0.3718388047426496,0.37102494688506615,0.516986070180248
EOS-2-30701,Cn1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5ccc(C#N)nc5)c4)n23)n1,ANYQULZBJSNDEL-UHFFFAOYSA-N,2,1,0.456,36,677,427.403,2.572,5,0.42,0.7,0.999,0.5210146665752862,0.5963864711123296,0.48742375436913166,0.4658094030566788,0.5176585737783566
EOS-2-30702,Cn1nc(-c2nnc3cncc(OCc4ccccn4)n23)cc1-c1cnc(C#N)c(F)c1,HLJNUXUOIXLDFK-UHFFFAOYSA-N,2,1,0.57,95,694,427.403,2.572,5,0.42,0.65,0.999,0.3634774861215818,0.3512353505585635,0.39424988006305256,0.3546963881844973,0.3659147762319238
EOS-2-30703,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)ccc1F,TWRCBSVIDPRYNJ-UHFFFAOYSA-N,2,1,0.646,91,499,427.403,2.604,5,0.438,0.73,1.0,0.9644129943115619,0.9053269138510041,0.6681601672263724,0.6298317455966006,0.7919329552463847
EOS-2-30704,Cn1cc(-c2cccc(COc3cncc4nnc(-c5cnc(C#N)c(F)c5)n34)c2)nn1,OBSRYMNYPIVOOI-UHFFFAOYSA-N,2,1,0.452,36,134,427.403,2.572,5,0.42,0.73,1.0,0.5764769378383935,0.5387739017202385,0.5353728325680214,0.4780429716948804,0.5321666609553835
EOS-2-30705,COc1cc(C#N)ccc1-c1nnc2cncc(-c3cnc(-c4nncn4C)cc3F)n12,ZWCRIALJSNQDII-UHFFFAOYSA-N,2,1,0.345,50,985,427.403,2.668,5,0.429,0.7,1.0,0.29232917551915566,0.4084709752587211,0.5081814131999177,0.46581796998149544,0.41869988348982246
EOS-2-30706,Cn1nc(-c2nnc3cncc(OCc4cncnc4)n23)cc1-c1ccc(C#N)c(F)c1,QZFKVJFXRJIPTI-UHFFFAOYSA-N,2,1,0.444,95,694,427.403,2.572,5,0.42,0.62,0.985,0.47855698718388046,0.40386196970735383,0.5849410595572613,0.5398533342471387,0.5018033376739086
EOS-2-30707,Cn1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1-c1ccc(C#N)nc1,VXQFHBXRQAEWBH-UHFFFAOYSA-N,2,1,0.489,95,694,427.403,2.572,5,0.393,0.65,1.0,0.4149904050442053,0.36083030635323143,0.5115396477280515,0.45014906449181,0.4343773559043245
EOS-2-30708,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4)n23)nc1C#N,QGIYWAXNAZQWQE-UHFFFAOYSA-N,2,1,0.411,46,62,427.403,2.572,5,0.42,0.67,0.897,0.6511376876156535,0.47970495510931394,0.5009080940305668,0.4437410047289425,0.5188729353711192
EOS-2-30709,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(C#N)c5)n34)cc2F)n1,ZDYUOFJMUITCNL-UHFFFAOYSA-N,2,1,0.5,16,256,427.403,2.572,5,0.42,0.64,1.0,0.6636368309231718,0.6291892262353506,0.5656740456445755,0.5133215680899185,0.5929554177232541
EOS-2-30710,N#Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cn1,QIMHVHWKZCHQCS-UHFFFAOYSA-N,2,1,0.49,65,981,427.403,2.535,5,0.405,0.66,0.998,0.8109365362209581,0.6779778630662737,0.5253066959084367,0.4931550270714824,0.6268440305667877
EOS-2-30711,Cn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(C#N)cc3)n12,CBZXJNAFHAVIPD-UHFFFAOYSA-N,2,1,0.523,36,250,427.403,2.572,5,0.42,0.7,1.0,0.7663371256253855,0.7616681516003015,0.25384654924268385,0.3136351175382085,0.5238717360016448
EOS-2-30712,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(C#N)c(F)cn4)n23)cc1,VXPLTCACKAAHEC-UHFFFAOYSA-N,2,1,0.53,36,734,427.403,2.572,5,0.42,0.68,1.0,0.6849256390925913,0.6156363511753821,0.5422435062709889,0.48110993077924746,0.5809788568295524
EOS-2-30713,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)cn1,GOFVCRKDBLVJBX-UHFFFAOYSA-N,2,1,0.562,47,164,427.403,2.604,5,0.438,0.63,1.0,0.9344373243780413,0.8777499828661504,0.5588890411897746,0.5133301350147351,0.7211016208621753
EOS-2-30714,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4)n23)ncn1,KLMBNSWYNZGOBL-UHFFFAOYSA-N,2,1,0.419,46,395,427.403,2.572,5,0.42,0.6,0.996,0.627835652114317,0.4313360975944075,0.6277157151668837,0.5594887259269412,0.5615940477006374
EOS-2-30715,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(C#N)cc4F)n23)cc1,KDXXUKXABRHJSD-UHFFFAOYSA-N,2,1,0.5,36,734,427.403,2.572,5,0.42,0.69,1.0,0.5940477006373792,0.5765626070865603,0.4906277842505654,0.4627510108971284,0.5309972757179083
EOS-2-30716,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)cc5)n34)cc2F)no1,BPBAODMKMOPUBD-UHFFFAOYSA-N,2,1,0.556,89,230,427.399,3.74,5,0.417,0.76,1.0,0.8504900280995134,0.8273164964704269,0.7107977520389281,0.6646819957508053,0.7633215680899184
EOS-2-30717,Cc1coc(-c2ccc(-c3nnc4cncc(OCc5ncc(C#N)cc5F)n34)cc2)n1,NGYYQVALZFBNMH-UHFFFAOYSA-N,2,1,0.506,4,22,427.399,3.74,5,0.417,0.74,1.0,0.7245733671441299,0.7305616475909807,0.6629000753889384,0.5788157083133438,0.6742126996093483
EOS-2-30718,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)s4)n23)cn1,XEGBEBYTTBUYSH-UHFFFAOYSA-N,2,1,0.494,27,69,427.396,3.814,5,0.403,0.61,0.984,0.6111044479473648,0.6779864299910904,0.5253152628332534,0.4405198409978754,0.563731495442396
EOS-2-30719,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cc4)n23)c(F)cc1F,MTXVYKBNYOJKBH-UHFFFAOYSA-N,2,1,0.392,83,472,427.389,5.414,5,0.386,0.81,1.0,0.48834898224933176,0.7998937701322734,0.9895911863477486,0.9945771365910493,0.8181027688301007
EOS-2-30720,c1cc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccon6)n5)n34)cc2)n[nH]1,UENDDLBKTDHOAE-UHFFFAOYSA-N,2,1,0.4,40,763,427.384,2.798,6,0.421,0.61,1.0,0.48332019738194776,0.3990987595092865,0.10266602700294702,0.10552737989171407,0.27265309094647383
EOS-2-30721,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5)nn4)n23)cc1,BIEFHNXQMZGKRK-UHFFFAOYSA-N,2,1,0.517,56,22,427.384,2.526,5,0.292,0.68,1.0,0.6111130148721815,0.2407391542731821,0.12482866150366664,0.04719518881502296,0.2559690048660133
EOS-2-30722,Cc1cccc(-c2nc(C)sc2-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)c1,LDNOLMFVJXMLMA-UHFFFAOYSA-N,2,1,0.276,32,126,472.624,6.384,6,0.298,0.66,0.998,0.035535604139538074,0.024852648893153313,0.22148070728531286,0.2682732506339524,0.13753555273798918
EOS-2-30723,N#Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(F)nc5)nc4)n23)c(F)c1,JXFPKUFUMICOGV-UHFFFAOYSA-N,2,1,0.413,13,284,427.374,4.19,5,0.396,0.78,1.0,0.8593139606606812,0.915564389006922,0.9225464327325064,0.9090706599958879,0.9016238605989995
EOS-2-30724,N#Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)cn2)cn1,BAFWHWZBZANRCA-UHFFFAOYSA-N,2,1,0.435,13,374,427.374,4.19,5,0.424,0.8,1.0,0.8504985950243301,0.8662103351380989,0.9138510040435885,0.8943955177849359,0.8812388629977383
EOS-2-30725,N#Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5cccnc5F)cc4F)n23)cc1,ILQQEBZGBNYYFI-UHFFFAOYSA-N,2,1,0.466,97,412,427.374,4.19,5,0.396,0.8,1.0,0.9424816667808923,0.9053354807758207,0.907314440408471,0.8863854430813515,0.9103792577616339
EOS-2-30726,N#Cc1ncc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1CCO,JJBKFNZFWLMDGS-UHFFFAOYSA-N,2,1,0.607,68,305,427.371,2.032,4,0.453,0.63,1.0,0.5210232335001028,0.40387053663217054,0.5977314783085463,0.5366407374408882,0.5148164964704269
EOS-2-30727,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3cnc(-c4nnco4)cn3)n12,IXRMDKFYSUJTCN-UHFFFAOYSA-N,2,1,0.317,86,167,427.363,2.222,6,0.443,0.6,1.0,0.29775203892810637,0.3941984785141526,0.19010862860667535,0.23250633952436434,0.2786413713933246
EOS-2-30728,Fc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3cnc(-c4nn[nH]n4)cn3)n12,OODXAHFIXWFKNA-UHFFFAOYSA-N,2,1,0.28,70,72,427.363,2.222,6,0.443,0.58,0.992,0.2626190802549517,0.28138921252827087,0.17403707765060653,0.232514906449181,0.23764006922075254
EOS-2-30729,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3cn(-c4cnccn4)nn3)n12,FFOXWXBSIKDPEB-UHFFFAOYSA-N,2,1,0.333,86,312,427.363,2.018,6,0.41,0.63,1.0,0.03702624905763827,0.13179357137961759,0.18354636419710782,0.22971352203413062,0.14551992666712357
EOS-2-30730,Fc1ccc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cn1,ILQFDBPBLGKYOP-UHFFFAOYSA-N,2,1,0.325,86,723,427.359,3.092,6,0.386,0.66,0.993,0.36809505859776576,0.3895894729627853,0.2609228291412515,0.2916695223082722,0.32756922075251865
EOS-2-30731,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)nc4)n23)ccc1C(F)(F)F,UKTAQZKDHRDFAV-UHFFFAOYSA-N,2,1,0.318,22,542,427.325,3.191,5,0.44,0.76,1.0,0.39545781646220274,0.5024844081968337,0.9497035844013433,0.9147076965252553,0.6905883763964088
EOS-2-30732,Fc1cccc(-c2nc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)no2)c1,GBUOJXBBARSFRZ-UHFFFAOYSA-N,2,1,0.474,96,243,427.321,4.061,5,0.401,0.8,1.0,0.31585395106572545,0.4981067096155164,0.9185542457679391,0.8778270851895004,0.6525854979096704
EOS-2-30733,Clc1ccc(-c2nnc3cncc(-c4nnc(-c5cnc(Cl)cn5)s4)n23)cc1,GVLCFYFRJLMVCR-UHFFFAOYSA-N,2,1,0.492,22,844,427.28,4.074,5,0.428,0.74,0.925,0.18870365293674182,0.5111541361113014,0.26433246521828524,0.5262319237886368,0.37260554451374134
EOS-2-30734,Clc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)cc5Cl)n4)n23)cc1,LGPYEYFRHBJKIY-UHFFFAOYSA-N,2,1,0.556,34,612,472.723,4.911,5,0.361,0.77,1.0,0.5597971352203414,0.8309060379686107,0.7492975121650333,0.8863940100061681,0.7565986738400383
EOS-2-30735,COc1cc(-c2nnc3cncc(-c4ncn(-c5ccc(Cl)c(Cl)c5)n4)n23)ccc1Cl,QRZNBHRRXZNNGW-UHFFFAOYSA-N,2,1,0.33,22,681,472.723,5.008,5,0.366,0.77,0.999,0.15813686519087108,0.43601363854430814,0.8510725789870468,0.9079141251456377,0.5882843019669659
EOS-2-30736,Clc1cccc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)c1,DSRWEJYGAUEYEY-UHFFFAOYSA-N,2,1,0.512,34,612,472.723,4.911,5,0.361,0.76,1.0,0.5520697690357069,0.7616767185251182,0.7839164553491879,0.8944040847097526,0.7480167569049414
EOS-2-30737,Clc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)c(Cl)c5)n4)n23)cc1,PULYCIIHWZVBPM-UHFFFAOYSA-N,2,1,0.588,34,612,472.723,4.911,5,0.361,0.8,1.0,0.6421938181070523,0.8235984510999932,0.8010331711328902,0.9022256870673703,0.7922627818518265
EOS-2-30738,Clc1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)c(Cl)c5)nn4)n23)cc1,YSQPRSHKJIJTPP-UHFFFAOYSA-N,2,1,0.659,34,612,472.723,4.911,5,0.361,0.81,1.0,0.47595264203961346,0.8157768487423754,0.8380080186416284,0.9211757247618395,0.7627283085463643
EOS-2-30739,Clc1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nc2)c1,AQLOQGPSMFQWNM-UHFFFAOYSA-N,2,1,0.573,73,391,472.723,4.911,5,0.361,0.74,1.0,0.44973785210060996,0.7746127749982866,0.8570437255842642,0.9079226920704544,0.7473292611884038
EOS-2-30740,Clc1ccc(-c2nnc3cncc(OCc4ncnn4-c4ccc(Cl)c(Cl)c4)n23)cc1,DNKIATVKEUQIQE-UHFFFAOYSA-N,2,1,0.588,34,612,472.723,4.911,5,0.361,0.77,1.0,0.7602032074566514,0.8544136796655473,0.7878915084641217,0.8985933109451032,0.8252754266328559
EOS-2-30741,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4C#N)n23)ccc1Cl,TUHPNHUUTNPLDB-UHFFFAOYSA-N,2,1,0.537,90,555,427.251,3.952,4,0.476,0.79,1.0,0.9334178603248577,0.9135168939757384,0.9101158248235214,0.8959546981015695,0.9132513193064218
EOS-2-30742,Fc1ccc(Cl)cc1-n1cc(-c2cncc3nnc(-c4ccc(Cl)nc4)n23)nn1,KTRDZHQMULGCJA-UHFFFAOYSA-N,2,1,0.321,22,844,427.23,3.88,5,0.406,0.66,1.0,0.0195068878075526,0.3363546021520115,0.7518418888355836,0.8820762798985676,0.4974449146734288
EOS-2-30743,Fc1cc(-c2nnc3cncc(-c4nnn(-c5cccc(Cl)c5)n4)n23)ccc1Cl,SXSOSHWRANZKOE-UHFFFAOYSA-N,2,1,0.39,22,990,427.23,3.88,5,0.435,0.76,1.0,0.12503426769926668,0.4884774861215818,0.6489702556370365,0.8526745939277637,0.5287891508464122
EOS-2-30744,Fc1cc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)ccc1Cl,QXGSKHWSMRPECJ-UHFFFAOYSA-N,2,1,0.384,22,990,427.23,3.88,5,0.435,0.76,1.0,0.1413970940991022,0.48848605304639847,0.6709786854910561,0.8610273456240148,0.5404722945651429
EOS-2-30745,Fc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccc1Cl,GJMLAEYUJHWXPR-UHFFFAOYSA-N,2,1,0.423,22,990,427.23,3.88,5,0.435,0.81,1.0,0.18582516619834144,0.5434600095949558,0.668168734151189,0.8642570762798986,0.5654277465560962
EOS-2-30746,Fc1cc(Cl)ccc1-c1cncc(-n2cnc(-c3nnc4cncc(Cl)n34)n2)c1,HTBHNRWUVPNZIB-UHFFFAOYSA-N,2,1,0.432,22,575,427.23,3.88,5,0.435,0.67,1.0,0.00715338222191762,0.11203824275238161,0.6845315605510246,0.8472859982180796,0.41275229593585083
EOS-2-30747,Fc1ccc(-n2nnnc2-c2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1,JMAORQRLXNOUBB-UHFFFAOYSA-N,2,1,0.387,22,990,427.23,3.88,5,0.435,0.75,1.0,0.08920738811596189,0.47971352203413065,0.7081848399698444,0.8890154890000685,0.5415303097800014
EOS-2-30748,Fc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,ADVVIDGBBPEJJA-UHFFFAOYSA-N,2,1,0.462,45,102,427.226,4.954,5,0.405,0.9,1.0,0.43110479062435747,0.7027876773353438,0.8526060585292303,0.9348999383181413,0.7303496162017682
EOS-2-30749,Fc1cc(-c2nnc3cncc(-c4cc(-c5ccc(Cl)nc5)on4)n23)ccc1Cl,KYOVILHJPGIXMU-UHFFFAOYSA-N,2,1,0.378,45,680,427.226,4.954,5,0.379,0.81,1.0,0.3909687478582688,0.6010468782125968,0.9185628126927559,0.9531560551024604,0.7159336234665205
EOS-2-30750,Fc1c(Cl)cccc1-c1nnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)o1,NBLNSIGGPNACOC-UHFFFAOYSA-N,2,1,0.441,45,730,427.226,4.954,5,0.405,0.81,0.999,0.4241827153724899,0.735170653142348,0.8443989445548626,0.9315245699403742,0.7338192207525187
EOS-2-30751,Fc1cc(-c2nnc3cncc(-c4cc(-c5cnco5)cc(Cl)n4)n23)ccc1Cl,GXWYDLBQOWMARG-UHFFFAOYSA-N,2,1,0.391,45,575,427.226,4.954,5,0.379,0.81,1.0,0.44267013912685904,0.6539133712562538,0.9215441025289562,0.9519995202522102,0.7425317832910698
EOS-2-30752,Fc1cc(-c2nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)ccc1Cl,MIRDESWSMFKHFR-UHFFFAOYSA-N,2,1,0.448,45,102,427.226,4.954,5,0.405,0.88,1.0,0.4171321362483723,0.7027962442601604,0.84936776094853,0.9339747104379412,0.725817712973751
EOS-2-30753,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3nnc(-c4ccc(Cl)cc4)o3)n12,COJSULBGASPGLP-UHFFFAOYSA-N,2,1,0.398,45,730,427.226,4.954,5,0.405,0.8,1.0,0.4017459392776369,0.7211722979919128,0.8380165855664451,0.9306250428346241,0.7228899664176547
EOS-2-30754,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)ccc1Cl,KPPRJNBDTTYMII-UHFFFAOYSA-N,2,1,0.448,45,730,427.226,4.954,5,0.405,0.86,1.0,0.47363957233911314,0.8042115002398739,0.8645226509492153,0.9391491330272086,0.7703807141388528
EOS-2-30755,Fc1cc(Cl)cc(-c2noc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,GDAKIEKDOJTPQO-UHFFFAOYSA-N,2,1,0.462,45,730,427.226,4.954,5,0.405,0.83,1.0,0.3820077445000343,0.6341237749297512,0.8241210335138098,0.9252707148242068,0.6913808169419505
EOS-2-30756,COc1nc(OC(F)F)ncc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3Cl)n12,HVGPPQFACUAVQU-UHFFFAOYSA-N,2,1,0.326,50,478,472.799,3.562,5,0.362,0.66,1.0,0.588145089438695,0.5206205880337195,0.5816941950517442,0.522976492358303,0.5533590912206154
EOS-2-30757,Fc1ccc(-c2nnc3cncc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)cc1Cl,QKECMLJZMHYVMQ-UHFFFAOYSA-N,2,1,0.432,23,102,427.188,5.923,4,0.373,0.86,1.0,0.6082002604345145,0.9053440477006374,0.9998115276540334,0.9999143307518333,0.8783175416352547
EOS-2-30758,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)cc1,TYELNDNEHHMTND-UHFFFAOYSA-N,2,1,0.568,1,679,472.814,5.093,5,0.351,0.81,1.0,0.9017116715783702,0.8856315536974847,0.9637961757247618,0.9486241518744432,0.9249408882187649
EOS-2-30759,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3cc(-c4nnco4)ccc3Cl)n12,OPPVIFDBNHGGNQ-UHFFFAOYSA-N,2,1,0.494,43,146,472.814,5.15,5,0.337,0.69,1.0,0.915487286683572,0.9498834898224933,0.9717891165787129,0.9668203001850456,0.950995048317456
EOS-2-30760,FC(F)(F)c1cc(-c2nnc3cncc(OCc4cnc(-c5ccoc5)cn4)n23)ccc1Cl,WYNORJBVJLYPTQ-UHFFFAOYSA-N,2,1,0.489,27,343,472.814,5.093,5,0.351,0.66,1.0,0.9048557329860873,0.9298283188266739,0.9788225618531972,0.9565656911794942,0.9425180762113632
EOS-2-30761,Fc1cc(Cl)ccc1-c1nc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)no1,KOVOQKSBARQJOE-UHFFFAOYSA-N,2,1,0.536,34,679,472.814,5.15,5,0.337,0.77,1.0,0.9182115687752724,0.877758549790967,0.9185713796175725,0.927429579878007,0.9104927695154548
EOS-2-30762,FC(F)(F)c1cc(-c2nnc3cncc(OCc4noc(-c5ccccc5)n4)n23)ccc1Cl,URKQEODVOXBTIY-UHFFFAOYSA-N,2,1,0.494,1,679,472.814,5.093,5,0.351,0.76,1.0,0.8767048180385169,0.8720786786375163,0.9497121513261599,0.9242940853951066,0.905697433349325
EOS-2-30763,FC(F)(F)c1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)no1,PJSQNAACRNPCNP-UHFFFAOYSA-N,2,1,0.685,1,138,472.814,5.093,5,0.351,0.82,1.0,0.9606863820163114,0.9330751833321911,0.9436810362552258,0.8986018778699199,0.934011119868412
EOS-2-30764,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5Cl)nn4)n23)cn1,JNXZMXKGNNJFPC-UHFFFAOYSA-N,2,1,0.587,27,69,472.818,4.018,5,0.381,0.78,1.0,0.3475430059625797,0.6010554451374135,0.8984648070728531,0.8558186553354807,0.6757204783770818
EOS-2-30765,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)cc5)nn4)n23)cn1,RBQNIDYFFXQXFJ-UHFFFAOYSA-N,2,1,0.618,27,69,472.818,4.018,5,0.381,0.76,1.0,0.25206462888081693,0.5870228222877116,0.9138595709684052,0.8691744911246659,0.6555303783154
EOS-2-30766,Cn1nc(-c2ccc(Cl)nn2)cc1Oc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,AUBPMWKPCQUSAN-UHFFFAOYSA-N,2,1,0.471,72,706,472.818,4.446,5,0.381,0.79,1.0,0.8159481872387088,0.8345212802412446,0.9333664587759578,0.8864025769309849,0.867559625796724
EOS-2-30767,COc1cc(-c2nnc3cncc(-c4nnn(Cc5cc(F)cc(F)c5F)n4)n23)ccc1Cl,GHZOUINSXSOMOA-UHFFFAOYSA-N,2,1,0.324,22,221,472.818,3.572,5,0.361,0.75,0.999,0.414998971969022,0.6105904324583648,0.7392827770543485,0.8178586114728257,0.6456826982386403
EOS-2-30768,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4nnnn4-c4ccccc4Cl)n23)cc1,REXBMHUZAMNUDD-UHFFFAOYSA-N,2,1,0.483,43,51,472.818,4.018,5,0.381,0.77,1.0,0.7245819340689467,0.8273250633952437,0.8984733739976698,0.8998526488931533,0.8375582550887535
EOS-2-30769,FC(F)(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2)cn1,SEHKUXOQBLNRGB-UHFFFAOYSA-N,2,1,0.446,27,128,472.818,4.154,5,0.379,0.69,1.0,0.4290144609690905,0.5711740113768762,0.9310533890754574,0.8674611061613323,0.699675741895689
EOS-2-30770,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)c4)nc3)n12,SCMUBAIGAJWIFZ-UHFFFAOYSA-N,2,1,0.457,27,468,472.818,4.211,5,0.365,0.64,1.0,0.5132615996162018,0.7028048111849771,0.8584829689534644,0.8338444931807278,0.7270984682338428
EOS-2-30771,COc1cc(-c2nnc3cncc(-c4nnn(Cc5cc(F)c(F)cc5F)n4)n23)ccc1Cl,RGRIZZYWVRJTPW-UHFFFAOYSA-N,2,1,0.336,22,221,472.818,3.572,5,0.361,0.76,1.0,0.42193818107052294,0.6201339867041327,0.7518504557604002,0.8257573161537934,0.6549199849222123
EOS-2-30772,COc1cc(-c2nnc3cncc(-c4nnn(Cc5cc(F)ccc5F)n4)n23)c(F)cc1Cl,ZZOVKLRKWAHJOY-UHFFFAOYSA-N,2,1,0.324,22,221,472.818,3.572,5,0.386,0.64,0.996,0.3774587074223837,0.5206291549585361,0.7108063189637448,0.8093173874306079,0.6045528921938181
EOS-2-30773,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)c1,CAJVNHWQXVKNCP-UHFFFAOYSA-N,2,1,0.6,61,941,472.818,4.446,5,0.381,0.81,1.0,0.69991775752176,0.8749143307518333,0.942490233705709,0.914716263450072,0.8580096463573436
EOS-2-30774,Fc1cc(-c2cncn2C(F)F)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,GUUWRVSXCJQGCZ-UHFFFAOYSA-N,2,1,0.424,51,196,472.818,4.211,5,0.365,0.66,1.0,0.8240953327393599,0.8118103625522582,0.8729182372695498,0.8625779590158317,0.8428504728942499
EOS-2-30775,FC(F)(F)n1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)nc1,PVWBVSJJIDUCNY-UHFFFAOYSA-N,2,1,0.4,46,62,472.818,4.154,5,0.379,0.64,1.0,0.6306113357549175,0.6487046809677198,0.9333750257007745,0.8864111438558016,0.7747755465698034
EOS-2-30776,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccn(C(F)F)n5)cc4)n23)nc1Cl,ZMBPJLWYPIQOIG-UHFFFAOYSA-N,2,1,0.444,27,379,472.818,4.211,5,0.341,0.67,1.0,0.7690442738674526,0.7875659653210884,0.8010417380577068,0.7729936262079364,0.7826614008635462
EOS-2-30777,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)nc4)n23)nc1Cl,RDHDDFUFDXXAQY-UHFFFAOYSA-N,2,1,0.438,27,390,472.818,4.211,5,0.341,0.65,0.998,0.6879497635528751,0.744637105064766,0.8879274895483518,0.8610359125488315,0.7953875676787061
EOS-2-30778,Fc1cc(-c2cnn(C(F)F)c2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,WXIPTUQNMPVFIH-UHFFFAOYSA-N,2,1,0.438,73,196,472.818,4.211,5,0.365,0.66,0.999,0.6221986155849496,0.7746213419231033,0.852614625454047,0.8338530601055445,0.7708219107669111
EOS-2-30779,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)n4)cc3)n12,RPWNGAFVGPMTJJ-UHFFFAOYSA-N,2,1,0.483,27,526,472.818,4.211,5,0.365,0.62,1.0,0.6789630594201905,0.7489205674730999,0.7655232677678021,0.7477554656980331,0.7352905900897814
EOS-2-30780,Cn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12,NDETZSUXDDKEKS-UHFFFAOYSA-N,2,1,0.481,27,69,472.818,4.446,5,0.357,0.78,1.0,0.5911006785004455,0.7746299088479199,0.9260246042080734,0.8454612432321293,0.7843041086971421
EOS-2-30781,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cncn1C(F)F,GDIAGYCQWWNAIN-UHFFFAOYSA-N,2,1,0.473,27,208,472.818,4.211,5,0.365,0.66,1.0,0.7214892742101295,0.7616852854499349,0.897462476869303,0.8834641217188678,0.8160252895620589
EOS-2-30782,FC(F)(F)c1ncc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cc1Cl,DIMDQUOJWDLNAK-UHFFFAOYSA-N,2,1,0.536,27,69,472.818,4.018,5,0.381,0.67,1.0,0.4219467479953396,0.5711825783016928,0.9051555753546707,0.8198461380302926,0.679532759920499
EOS-2-30783,Fc1cc(-c2cnn(C(F)F)c2)ccc1-c1nnc2cncc(OCc3cnc(Cl)cn3)n12,DBUQWJOKWBHKBI-UHFFFAOYSA-N,2,1,0.462,27,815,472.818,4.211,5,0.365,0.61,0.831,0.5793211568775273,0.7664741964224522,0.8856572544719348,0.8610444794736481,0.7731242718113905
EOS-2-30784,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4cnn(C(F)F)c4)n3)n12,FTEUWVAAALAJHS-UHFFFAOYSA-N,2,1,0.495,73,399,472.818,4.211,5,0.365,0.65,1.0,0.5520783359605236,0.8196062641354259,0.8674268384620657,0.857694811870331,0.7742015626070865
EOS-2-30785,Cc1nnc(-c2cc(F)c(Oc3cncc4nnc(-c5cc(F)c(Cl)cc5F)n34)cn2)n1C,GOYPSJBHKBMPKL-UHFFFAOYSA-N,2,1,0.402,13,252,472.818,4.153,5,0.362,0.62,0.671,0.5684325954355425,0.7351792200671647,0.6820385854293742,0.7399766979644986,0.681406774724145
EOS-2-30786,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5OC(F)(F)F)n34)nn2)n1,WEKHSNLJPHSENU-UHFFFAOYSA-N,2,1,0.368,22,121,472.818,4.294,5,0.385,0.74,0.379,0.12225001713384963,0.5111627030361181,0.9073230073332876,0.877835652114317,0.6046428449043931
EOS-2-30787,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cnn(C(F)F)c1,RGQBGEUAOQMUIR-UHFFFAOYSA-N,2,1,0.529,73,446,472.818,4.211,5,0.365,0.74,1.0,0.7395055170995819,0.8910115824823521,0.7879000753889384,0.7963813309574396,0.8036996264820779
EOS-2-30788,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4c(F)ccc(F)c4Cl)n23)c(F)c1,YYXCOLLOWCFQHU-UHFFFAOYSA-N,2,1,0.524,34,607,472.818,3.632,5,0.36,0.67,1.0,0.754309163182784,0.857412103351381,0.8183726269618258,0.8642656432047152,0.8235898841751765
EOS-2-30789,Cn1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)cc1-c1cnc(Cl)c(F)c1,ZUURUUCBUHRIIU-UHFFFAOYSA-N,2,1,0.436,95,469,472.818,3.632,5,0.36,0.66,0.692,0.37746727434720034,0.4665804262901789,0.8010503049825235,0.8138321568089918,0.6147325406072236
EOS-2-30790,Fc1cc(-c2ccn(C(F)F)n2)ccc1-c1nnc2cncc(OCc3cncc(Cl)n3)n12,RZZSPBHTMRCUKX-UHFFFAOYSA-N,2,1,0.421,27,94,472.818,4.211,5,0.365,0.65,1.0,0.6082088273593311,0.7664827633472688,0.8459923925707628,0.8257658830786101,0.7616124665889932
EOS-2-30791,Fc1cc(-c2cnnn2C(F)F)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,WXAHKMUVKQCDFL-UHFFFAOYSA-N,2,1,0.467,16,79,472.818,4.211,5,0.341,0.64,1.0,0.6167671852511822,0.7167260640120622,0.8832927832225345,0.8722585840586663,0.7722611541361113
EOS-2-30792,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4cnnc(-c5ncc(Cl)cn5)n4)n23)cc1,OVIBHEMRUSKPSL-UHFFFAOYSA-N,2,1,0.342,10,902,472.831,3.548,6,0.375,0.58,0.985,0.32067712973750945,0.39910732643410324,0.20060311150709342,0.36477109176889866,0.3212896648619012
EOS-2-30793,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)o2)cn1,MAYMDUQEXFGSDZ-UHFFFAOYSA-N,2,1,0.457,81,120,472.852,4.124,6,0.326,0.65,1.0,0.585206634226578,0.6730347474470564,0.32323007333287646,0.3419059694332123,0.48084435610993076
EOS-2-30794,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)o2)cn1,BQXPIRPONXBMAJ-UHFFFAOYSA-N,2,1,0.429,56,425,472.856,3.254,6,0.358,0.66,1.0,0.5467925433486396,0.6291977931601672,0.21773696114042904,0.24701014323898293,0.4101843602220546
EOS-2-30795,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)no2)cc1,DOVGUZQQXPHALN-UHFFFAOYSA-N,2,1,0.427,6,584,472.856,3.254,6,0.383,0.6,1.0,0.5108371598930848,0.6010640120622301,0.1704818038516894,0.2266122952504969,0.3772488177643753
EOS-2-30796,Cn1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)on2)c(Cl)cc1=O,VPFXWYNCTVVROJ-UHFFFAOYSA-N,2,1,0.309,98,7,472.856,2.646,6,0.409,0.61,1.0,0.36123295181961484,0.42235796038653967,0.15176307312727025,0.2178997327119457,0.2883134295113426
EOS-2-30797,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ncco5)nc4)n23)c1-n1ccnn1,KYTPYLLQQLNHIY-UHFFFAOYSA-N,2,1,0.441,6,843,472.856,3.049,6,0.355,0.59,1.0,0.41957370982112263,0.37543691316565003,0.2177455280652457,0.25306695908436705,0.3164557775340963
EOS-2-30798,Clc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nn5)n34)o2)cn1,KXRMTFHBYSPSFG-UHFFFAOYSA-N,2,1,0.38,54,670,472.856,3.254,6,0.358,0.51,0.396,0.47856555410869717,0.5622472757179083,0.21775409499006237,0.24701871016379962,0.3763964087451168
EOS-2-30799,Cc1nnc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(Cl)c2)o1,WLWDBKCJMQSJHD-UHFFFAOYSA-N,2,1,0.375,67,622,472.856,3.776,6,0.393,0.65,1.0,0.5764855047632101,0.5917260640120622,0.22483037488862997,0.2207268179014461,0.4034421903913371
EOS-2-30800,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)no2)cc1,DHNORKWKDIRZTR-UHFFFAOYSA-N,2,1,0.506,67,893,472.856,3.254,6,0.383,0.76,1.0,0.6111215817969982,0.6388013158796518,0.2322750325543143,0.3009132341854568,0.4457777911041053
EOS-2-30801,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)cc1-c1nc[nH]n1,LSHDFVDQHGSRDW-UHFFFAOYSA-N,2,1,0.455,81,218,472.856,3.254,6,0.383,0.55,0.987,0.5881536563635118,0.6879069289287917,0.26093139606606813,0.2946336782948393,0.45790641491330275
EOS-2-30802,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ns4)n23)cn1,LBYAWLQXUZJWJF-UHFFFAOYSA-N,2,1,0.473,27,69,472.868,4.27,5,0.361,0.66,0.932,0.6570745665136043,0.7705434857103695,0.5880508532657117,0.5850438626550614,0.6501781920361868
EOS-2-30803,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)n5)n34)nc2F)s1,BCAZHTHOMRBBHP-UHFFFAOYSA-N,2,1,0.415,46,237,472.868,3.919,5,0.354,0.63,0.978,0.5182561167843192,0.6201425536289493,0.3679151531766157,0.4312247275717908,0.4843846377904188
EOS-2-30804,FC(F)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)ns4)n23)cn1,ITXHCOJLQDMSKW-UHFFFAOYSA-N,2,1,0.473,27,69,472.868,4.27,5,0.337,0.76,1.0,0.5239102871633199,0.757658830786101,0.5152062915495854,0.5366493043657049,0.5833561784661778
EOS-2-30805,FC(F)c1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)n5)ns4)n23)cn1,UHJXCJDESMVAFK-UHFFFAOYSA-N,2,1,0.448,27,69,472.868,4.27,5,0.337,0.73,1.0,0.5132701665410184,0.7211808649167295,0.4267870605167569,0.4721574943458296,0.5333488965800837
EOS-2-30806,N#Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c(F)c1,RUROVGUTUNXKBM-UHFFFAOYSA-N,2,1,0.505,54,207,472.871,3.929,5,0.365,0.66,1.0,0.882478925364951,0.8413833870193955,0.8183811938866424,0.8542252073195805,0.8491171783976423
EOS-2-30807,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(Cl)c(F)cn6)c5)n34)cc2)o1,AUXVEBRKRGVORG-UHFFFAOYSA-N,2,1,0.34,42,150,472.871,4.795,6,0.363,0.75,1.0,0.10142382290453018,0.3071670893016243,0.7239908162565966,0.7265266260023302,0.4647770886162703
EOS-2-30808,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ncn2)cc1F,HJMSINREQYVUPT-UHFFFAOYSA-N,2,1,0.44,44,130,472.871,3.929,5,0.365,0.63,0.8,0.92492803783154,0.8483397299705298,0.7678791720923858,0.7870262490576383,0.8320432972380234
EOS-2-30809,Fc1cc(-c2nnc3cncc(OCc4nc(-c5cccnc5)nn5cccc45)n23)ccc1Cl,YHRITUYKLSXSGM-UHFFFAOYSA-N,2,1,0.495,97,401,472.871,4.268,6,0.369,0.72,1.0,0.7335943389760812,0.8777671167157837,0.5944417791789459,0.6793314371873073,0.7212836680145295
EOS-2-30810,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cc(F)ccc6Cl)n5)n34)cc2)o1,KCAJQDWIROUFBK-UHFFFAOYSA-N,2,1,0.314,3,289,472.871,4.795,6,0.363,0.71,1.0,0.08013501473511069,0.38017442258926737,0.6277242820917004,0.685396819957508,0.44335763484339663
EOS-2-30811,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)c(Cl)c6)c5)n34)cc2)o1,PZPIBTADWCGIFT-UHFFFAOYSA-N,2,1,0.333,3,150,472.871,4.795,6,0.363,0.75,1.0,0.07577445000342677,0.3223819477760263,0.7108148858885615,0.7427095469810157,0.46292020766225755
EOS-2-30812,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2F)cn1,IZFAWVQPHIMYSM-UHFFFAOYSA-N,2,1,0.533,87,716,472.871,3.929,5,0.365,0.63,1.0,0.9533359605236105,0.9579192653005277,0.7470701117126997,0.7631673634432184,0.8553731752450141
EOS-2-30813,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)c(Cl)c6)c5)n34)cn2)o1,KBDVYVQPPOEDMP-UHFFFAOYSA-N,2,1,0.327,10,673,472.871,4.795,6,0.363,0.72,0.83,0.07578301692824344,0.30717565622644094,0.7344681653073812,0.7477640326228497,0.46629771777122886
EOS-2-30814,Cc1onc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3cn(-c4cccc(Cl)c4)nn3)n12,HNIMZLAFNSKIBM-UHFFFAOYSA-N,2,1,0.321,10,783,472.871,4.795,6,0.363,0.72,0.934,0.027011513946953603,0.24567370296758276,0.5081899801247344,0.6733174559660065,0.3635481632513193
EOS-2-30815,Cc1ccc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c3cccn3n2)nn1,WQUKASNVNFNCDC-UHFFFAOYSA-N,2,1,0.423,34,820,472.871,4.789,6,0.364,0.6,0.892,0.6541532451511205,0.8693629634706326,0.6489788225618532,0.7106007127681447,0.7207739359879378
EOS-2-30816,Cc1nnc(-c2cc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)ccc2Cl)o1,KQMMTCUYQCUHNM-UHFFFAOYSA-N,2,1,0.356,3,673,472.871,4.795,6,0.363,0.71,0.99,0.0757915838530601,0.4038791035569872,0.6681773010760057,0.7399852648893154,0.4719583133438421
EOS-2-30817,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6Cl)c5)n34)c(F)c2)n1,LOXOUYAAVIMZPR-UHFFFAOYSA-N,2,1,0.341,3,673,472.871,4.795,6,0.363,0.72,1.0,0.11131862106778151,0.29720375573983965,0.6367795216229183,0.7046981015694607,0.43750000000000006
EOS-2-30818,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cnc1F,YEHJYKCJFDHMCC-UHFFFAOYSA-N,2,1,0.5,35,76,472.871,3.929,5,0.341,0.7,1.0,0.957319580563361,0.9664947570420122,0.8089490096634911,0.7917637584812556,0.8811317764375299
EOS-2-30819,Cn1ncc(-c2nnc3cncc(-c4nnc(-c5ccccc5Cl)o4)n23)c1-c1ccc(F)cc1,BGSWNIGIBYVYID-UHFFFAOYSA-N,2,1,0.354,3,641,472.871,4.701,6,0.366,0.71,1.0,0.2569734768007676,0.4223665273113563,0.5043434308820506,0.664690562675622,0.46209349941744915
EOS-2-30820,Cn1c(Cl)nnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccno5)cc4)n23)cc1F,CSCMQSWJGYSWJP-UHFFFAOYSA-N,2,1,0.329,9,38,472.871,4.701,6,0.366,0.67,1.0,0.29514769378383937,0.422375094236173,0.610196353916798,0.6824497978205744,0.5025422349393462
EOS-2-30821,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)cn1,KOXUSYRCSJHLLP-UHFFFAOYSA-N,2,1,0.588,35,215,472.871,3.929,5,0.341,0.68,1.0,0.9638475772736619,0.9738023439106298,0.7900932081420053,0.7804040161743541,0.8770367863751628
EOS-2-30822,Fc1cc(-c2nnc3cncc(OCc4cc(-c5ccnnc5)nn5cccc45)n23)ccc1Cl,QNTYVRGXDIXDSP-UHFFFAOYSA-N,2,1,0.522,59,202,472.871,4.268,6,0.369,0.67,1.0,0.7486806935782332,0.8936244945514358,0.7942138989788226,0.8238297580700432,0.8150872112946337
EOS-2-30823,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)o4)n23)c1,KXBZOYRBHOTPQH-UHFFFAOYSA-N,2,1,0.329,3,219,472.871,4.701,6,0.366,0.8,1.0,0.22745185388253034,0.4751730518812967,0.6461174696730861,0.7683075183332191,0.5292624734425331
EOS-2-30824,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nc4ncccn4c3-c3cccnc3)n12,KZCNYZSJJHJSID-UHFFFAOYSA-N,2,1,0.495,97,71,472.871,4.268,6,0.369,0.63,1.0,0.745613734493866,0.8309146048934275,0.5287763004591872,0.6530995133986705,0.6896010383112878
EOS-2-30825,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3nnn(-c4cccc(F)c4Cl)n3)n12,AYOWOYKTJPKIDZ-UHFFFAOYSA-N,2,1,0.275,10,158,472.875,3.627,6,0.386,0.64,0.255,0.03046398464807073,0.1580768967171544,0.19699643615927626,0.3933674868069358,0.1947262010828593
EOS-2-30826,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)c(Cl)c5)n4)n23)nc1,XNIPGMNAXBUTJI-UHFFFAOYSA-N,2,1,0.259,10,813,472.875,3.627,6,0.386,0.6,1.0,0.0282365841957371,0.20049174148447674,0.49063635117538207,0.5564731683914742,0.31895946131176756
EOS-2-30827,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(Cl)cc6F)n5)n34)cc2)n[nH]1,MVQLRHLFPJRRTJ-UHFFFAOYSA-N,2,1,0.303,3,973,472.875,3.925,6,0.413,0.62,0.999,0.06793571379617573,0.3413234185456788,0.40851380988280445,0.5434857103694058,0.3403146631485162
EOS-2-30828,Cn1cnc(-c2ccc(F)cc2)c1-c1nnc2cncc(-n3cc(-c4ccc(Cl)cn4)nn3)n12,YLMWVERANHGMJB-UHFFFAOYSA-N,2,1,0.373,10,872,472.875,3.627,6,0.386,0.55,0.703,0.01411829209786855,0.1503152628332534,0.31594818723870877,0.4871496127749983,0.24188283873620725
EOS-2-30829,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6Cl)nn5)n34)c(F)c2)n[nH]1,NOPPEDWWWAOQTH-UHFFFAOYSA-N,2,1,0.308,10,783,472.875,3.925,6,0.413,0.64,1.0,0.033094030566787745,0.27124597354533614,0.43803543280104174,0.559497292851758,0.3254681824412309
EOS-2-30830,Cn1c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1-c1cnn(-c2ccoc2)n1,CIVHSEVIHBIWIE-UHFFFAOYSA-N,2,1,0.495,4,32,472.896,4.203,6,0.358,0.62,0.997,0.5083013501473511,0.6388098828044685,0.4629309163182784,0.47805153861969707,0.5220234219724488
EOS-2-30831,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c(F)c2F)n1,HKHABJYWOBACIK-UHFFFAOYSA-N,2,1,0.523,37,832,472.908,4.806,5,0.355,0.57,1.0,0.6167757521759989,0.7664913302720855,0.8314200534576108,0.8317455966006443,0.7616081831265848
EOS-2-30832,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cc2)cn1,KKNFGXRRHRZEIM-UHFFFAOYSA-N,2,1,0.549,15,519,472.908,5.386,5,0.318,0.62,1.0,0.7183280789527791,0.8118189294770749,0.8925707627989857,0.8707593722157494,0.8233692858611473
EOS-2-30833,FCCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1F,PMUVDKVOPMYOBE-UHFFFAOYSA-N,2,1,0.463,26,911,472.908,5.057,5,0.331,0.75,1.0,0.6082173942841478,0.673043314371873,0.7678877390172024,0.7940682612569392,0.7108041772325406
EOS-2-30834,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1ccc(F)cc1F,XEDAORLECGLRES-UHFFFAOYSA-N,2,1,0.462,95,562,472.908,4.806,5,0.355,0.71,0.996,0.6249057638270167,0.6156449181001987,0.7188592282914125,0.7895020903296552,0.6872280001370707
EOS-2-30835,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncsc6Cl)cn5)n34)nc2)co1,OIHDARAYHPLPTK-UHFFFAOYSA-N,2,1,0.305,32,687,472.921,4.989,6,0.353,0.65,0.734,0.1607926118840381,0.2764203961346035,0.3492563909259132,0.37442601603728326,0.2902238537454595
EOS-2-30836,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5Cl)nn4)n23)s1,GPQZFPHZWFFUOO-UHFFFAOYSA-N,2,1,0.261,39,972,472.925,3.914,6,0.379,0.64,0.763,0.0056541703790007536,0.09603522719484614,0.10010451648276335,0.20915290247412788,0.10273670413268453
EOS-2-30837,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(Cl)nn6)s5)n34)nc2)n[nH]1,HBRYKNDGVJSCKF-UHFFFAOYSA-N,2,1,0.242,70,813,472.925,4.119,6,0.406,0.55,0.071,0.09402199986292921,0.235144952367898,0.1740456445754232,0.23252347337399767,0.18393401754506203
EOS-2-30838,OCc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccc(Cl)cc5)cc4)n23)cc1,XBLYKVMOEHRGRQ-UHFFFAOYSA-N,2,1,0.697,79,590,472.932,5.351,5,0.328,0.82,1.0,0.9686964567198958,0.967145843328079,0.9215526694537729,0.9022342539921869,0.9399073058734836
EOS-2-30839,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)ccc1=O,SIAIQDVWDOSIPW-UHFFFAOYSA-N,2,1,0.541,91,111,472.936,4.31,5,0.328,0.69,1.0,0.6759475018847234,0.6435730930025358,0.6335754917414845,0.6126036597902816,0.6414249366047563
EOS-2-30840,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)s6)c5)n34)cc2)cc1,UGMYJCUTZIGAID-UHFFFAOYSA-N,2,1,0.4,83,550,472.936,6.165,6,0.308,0.75,1.0,0.07379549037077651,0.39420704543896923,0.8900777876773354,0.9283376739085738,0.5716044993489138
EOS-2-30841,Fc1cc(-c2ncc[nH]2)ccc1-c1nnc2cncc(-c3ccc(-c4ccsc4)cc3Cl)n12,ZFQVNETYOZHNOZ-UHFFFAOYSA-N,2,1,0.313,41,192,472.936,6.369,6,0.323,0.66,0.994,0.30022788020012336,0.46658899321499553,0.9242341169213899,0.947262010828593,0.6595782502912755
EOS-2-30842,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)cn1,RQDDSLHGRLZVKT-UHFFFAOYSA-N,2,1,0.308,3,668,472.936,6.165,6,0.308,0.68,1.0,0.07580015077787677,0.32693098485367694,0.9019258446987869,0.9306336097594408,0.5588226475224454
EOS-2-30843,CCOc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cc1,OKGDVBSPFZMDOH-UHFFFAOYSA-N,2,1,0.511,11,201,472.936,4.922,5,0.296,0.81,1.0,0.8085035295730245,0.8447416215475293,0.6954972243163594,0.6269875265574669,0.743932475498595
EOS-2-30844,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)ccn1,QXHCXHZEZULMIK-UHFFFAOYSA-N,2,1,0.433,75,567,472.94,4.45,5,0.357,0.61,1.0,0.5007967240079501,0.5206377218833528,0.3122130080186416,0.26520629154958536,0.39971343636488244
EOS-2-30845,CCc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,GOTWWVNQFBDRHT-UHFFFAOYSA-N,2,1,0.505,65,981,472.94,4.184,5,0.347,0.71,1.0,0.681918648481941,0.8196148310602426,0.257221917620451,0.24992289767665,0.5021695737098212
EOS-2-30846,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccn1,AEUBWOBYXADHJQ-UHFFFAOYSA-N,2,1,0.506,75,454,472.94,4.184,5,0.325,0.58,1.0,0.6306199026797341,0.6584110067850044,0.2793245836474539,0.2562966897402508,0.4561630457131108
EOS-2-30847,CN(C)Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cn1,FLYYUPIMDCGBDH-UHFFFAOYSA-N,2,1,0.495,75,939,472.94,3.937,5,0.351,0.74,1.0,0.49322356247001575,0.45343876362141045,0.5152148584744021,0.4184343088205058,0.4700778733465835
EOS-2-30848,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nccc(C)n1,BBIWREUAYDABHB-UHFFFAOYSA-N,2,1,0.417,18,690,472.94,4.184,5,0.347,0.62,0.998,0.657083133438421,0.6245031183606332,0.17405421150023986,0.18371770269344118,0.4098395414981838
EOS-2-30849,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cncc(C)n1,DOYPBQWKQWFRGX-UHFFFAOYSA-N,2,1,0.43,65,690,472.94,4.184,5,0.347,0.55,0.848,0.5852152011513947,0.6156534850250154,0.22857412103351382,0.23852032074566515,0.41699078198889733
EOS-2-30850,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc(C)n2)c(C)n1,RXNNOHFRIBHUCH-UHFFFAOYSA-N,2,1,0.443,31,531,472.94,4.238,5,0.361,0.63,0.979,0.6278442190391337,0.5434685765197724,0.2758549790967034,0.24428586114728257,0.42286340895072305
EOS-2-30851,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)sc1F,SLBWWOBBEHMUTD-UHFFFAOYSA-N,2,1,0.5,58,954,472.958,5.094,5,0.342,0.66,1.0,0.8214395860461928,0.8273336303200604,0.3196662326091426,0.36798368857514907,0.5841057843876363
EOS-2-30852,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)s1,XDOXBAHPPXFJGX-UHFFFAOYSA-N,2,1,0.529,37,639,472.958,5.094,5,0.342,0.79,1.0,0.8969141936810363,0.9115122335686382,0.42679562744157357,0.4993917483380166,0.6836534507573162
EOS-2-30853,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccc2F)s1,CANAJSIDSLUTKG-UHFFFAOYSA-N,2,1,0.523,37,639,472.958,5.094,5,0.342,0.8,1.0,0.8916798026180522,0.9173377424439723,0.42329175519155643,0.5063480912891508,0.684664347885683
EOS-2-30854,COc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2C)s1,VGQHLHPQJOLPBQ-UHFFFAOYSA-N,2,1,0.463,58,954,472.983,4.598,5,0.344,0.48,0.999,0.4447519018573093,0.4360222054691248,0.25017133849633333,0.22073538482626276,0.33792020766225755
EOS-2-30855,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)s1,KCQIKZYLSBGTRF-UHFFFAOYSA-N,2,1,0.357,69,894,472.986,6.359,6,0.298,0.78,1.0,0.11435131245288191,0.2813977794530875,0.7770629154958536,0.8378966486190117,0.5026771640052087
EOS-2-30856,Clc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)s4)n23)cc1,SOHNBUPDTJZNAO-UHFFFAOYSA-N,2,1,0.375,32,126,472.986,6.359,6,0.298,0.74,1.0,0.21620348159824548,0.4132941539305051,0.597740045233363,0.6965423891439929,0.4809450174765266
EOS-2-30857,Clc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)s2)n1,QQSHPARFBJAEFU-UHFFFAOYSA-N,2,1,0.322,76,368,472.986,6.359,6,0.279,0.66,1.0,0.09173463093687889,0.1785689808786238,0.521845658282503,0.6298403125214174,0.3554973956548557
EOS-2-30858,Clc1ccc(-c2cccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)c2)cc1,LXPALCSSGXMDKZ-UHFFFAOYSA-N,2,1,0.373,93,74,472.986,6.359,6,0.298,0.75,0.999,0.12786991981358373,0.37049379754643275,0.7216006442327462,0.8317541635254609,0.5129296312795559
EOS-2-30859,Clc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)s3)n12,BEGAPZAGPJRBMM-UHFFFAOYSA-N,2,1,0.316,30,923,472.986,6.359,6,0.298,0.73,1.0,0.07790761428277705,0.2456822698923994,0.6928243437735591,0.8093259543554245,0.45643504557604003
EOS-2-30860,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)cc1,BJLHAQATIHMCNI-UHFFFAOYSA-N,2,1,0.384,93,74,472.986,6.359,6,0.298,0.77,1.0,0.12787848673840038,0.35620416695223084,0.7216092111575629,0.829843739291344,0.5088839010348846
EOS-2-30861,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cccs5)s4)n23)nc1,QKVOJMOWZURKPF-UHFFFAOYSA-N,2,1,0.429,51,924,426.914,4.604,5,0.408,0.66,1.0,0.4497464190254266,0.380182989514084,0.25017990542115004,0.33573778356521145,0.35396177438146803
EOS-2-30862,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)s1,HZSBBMNBIITAHF-UHFFFAOYSA-N,2,1,0.531,72,22,426.914,4.604,5,0.408,0.79,1.0,0.5442738674525393,0.6388184497292851,0.52532382975807,0.5788242752381605,0.5718101055445137
EOS-2-30863,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)s1,IBVDSBLFPJTSBJ-UHFFFAOYSA-N,2,1,0.577,24,912,426.914,4.604,5,0.408,0.66,1.0,0.5340363922966213,0.6388270166541018,0.3832242478240011,0.4282177369611404,0.49607634843396614
EOS-2-30864,Clc1cccc(-c2ncsc2-c2nnc3cncc(OCc4cncs4)n23)c1,MBNUXYJOQFGYNL-UHFFFAOYSA-N,2,1,0.512,97,256,426.914,4.604,5,0.408,0.75,1.0,0.5264974984579536,0.5206462888081694,0.3159567541635255,0.4501576314166267,0.45331454321156883
EOS-2-30865,CC1(n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)cn2)CC1,DFLHULFTVZGJST-UHFFFAOYSA-N,2,1,0.387,61,366,426.911,5.484,6,0.381,0.63,1.0,0.16080117880885478,0.34133198547049554,0.4486926872729765,0.7347080392022479,0.4213834726886437
EOS-2-30866,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,PYJKESPZNRMCIF-UHFFFAOYSA-N,2,1,0.814,79,650,426.907,5.733,5,0.347,0.84,1.0,0.9752501542046467,0.9861044479473648,0.8984819409224865,0.9252792817490234,0.9462789562058803
EOS-2-30867,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,FDSPAMQDQLXCCJ-UHFFFAOYSA-N,2,1,0.783,79,650,426.907,5.733,5,0.347,0.86,1.0,0.9839541498183811,0.9891114385580152,0.8984905078473031,0.9243026523199233,0.9489646871359056
EOS-2-30873,Cc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,KJANCKJPFFAKFG-UHFFFAOYSA-N,2,1,0.704,79,23,426.907,5.999,5,0.346,0.88,1.0,0.9861387156466315,0.9849307792474813,0.9381896374477418,0.9425502021794256,0.9629523336303201
EOS-2-30874,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)nn1C,WFPOUABOWVBWNO-UHFFFAOYSA-N,2,1,0.433,31,569,426.893,3.219,5,0.428,0.61,0.999,0.26520629154958536,0.2351535192927147,0.22483894181344666,0.2412446028373655,0.24161083887327806
EOS-2-30875,N#Cc1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1,HKZPBMMASQGHES-UHFFFAOYSA-N,2,1,0.658,43,230,426.867,4.686,5,0.407,0.75,1.0,0.9034079226920705,0.9284147762319238,0.9361078747172915,0.9391576999520252,0.9267720683983278
EOS-2-30876,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccsc4)o3)n12,PVBQGSUARIWQLG-UHFFFAOYSA-N,2,1,0.549,4,10,426.86,5.484,5,0.372,0.67,1.0,0.9065776848742375,0.9509200877253101,0.8974710437941197,0.9090792269207045,0.916012010828593
EOS-2-30877,Clc1snnc1CCOc1cncc2nnc(-c3ccnc(-c4nc[nH]n4)c3)n12,ZRXOKXXFRMSYQL-UHFFFAOYSA-N,2,1,0.467,31,779,426.853,2.098,5,0.433,0.54,1.0,0.4331779864299911,0.5206548557329861,0.01646562949763553,0.036032485778904805,0.25158273935987935
EOS-2-30878,Clc1ncsc1CCOc1cncc2nnc(-c3cc(-c4cnco4)ncn3)n12,LBUKYRIWGGAYBJ-UHFFFAOYSA-N,2,1,0.449,18,194,426.849,2.968,5,0.403,0.64,0.997,0.5210318004249195,0.47087245562332947,0.08587485436227811,0.13255602768830102,0.302583784524707
EOS-2-30879,Cc1nc(-c2ncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)s2)no1,MHDXCGURUDRLNL-UHFFFAOYSA-N,2,1,0.433,55,565,426.849,3.234,5,0.39,0.7,1.0,0.4380697005003084,0.4708810225481461,0.05798094715920773,0.09132341854567884,0.2645637721883353
EOS-2-30880,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)no1,CAQIMRNBQVFFSS-UHFFFAOYSA-N,2,1,0.411,7,395,426.849,3.234,5,0.417,0.61,0.819,0.44726201082859296,0.43603077239394145,0.08588342128709478,0.11937153039544925,0.2721369337262696
EOS-2-30881,Cc1noc(-c2cncc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)c2)n1,QMNHOGKTZKHHQN-UHFFFAOYSA-N,2,1,0.466,7,422,426.849,3.234,5,0.417,0.61,1.0,0.4588616270303612,0.4838599136453978,0.10539030909464739,0.11250942361729833,0.29015531834692615
EOS-2-30882,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)cn2)no1,JPFIGEYQRNGBHK-UHFFFAOYSA-N,2,1,0.477,7,464,426.849,3.234,5,0.417,0.72,1.0,0.4426787060516757,0.562255842642725,0.07233054622712631,0.08393872935371119,0.2903009560688095
EOS-2-30883,N#Cc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4ccc(F)nc4)cc3)n12,DMQJNNRHNWNMQK-UHFFFAOYSA-N,2,1,0.346,83,558,426.842,5.184,5,0.371,0.82,1.0,0.38886128435336853,0.692747241450209,0.9665290247412789,0.977460420807347,0.7563994928380509
EOS-2-30884,N#Cc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)cc1F,LGVKNCWRIUYPKJ-UHFFFAOYSA-N,2,1,0.407,96,558,426.842,5.184,5,0.397,0.85,1.0,0.4956394352683161,0.8196233979850592,0.9690477006373792,0.9785741210335138,0.8157211637310671
EOS-2-30885,N#Cc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)c2)c1,LZWLIUAPZFREDM-UHFFFAOYSA-N,2,1,0.391,96,558,426.842,5.184,5,0.397,0.73,1.0,0.4402799671030087,0.6388355835789186,0.9725687067370297,0.9823178671783976,0.7585005311493387
EOS-2-30886,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cncs4)nc3F)n12,RFDLISVHILCXOM-UHFFFAOYSA-N,2,1,0.395,45,46,426.839,4.908,5,0.383,0.69,1.0,0.33089747104379413,0.620151120553766,0.8793434308820506,0.920104859159756,0.6876242204098417
EOS-2-30887,Fc1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(Cl)c5)ns4)n23)cc1,GEFFUPPGVWZJDT-UHFFFAOYSA-N,2,1,0.462,45,102,426.839,4.908,5,0.41,0.76,1.0,0.3381707902131451,0.6388441505037352,0.8149801247344254,0.9113922966212048,0.6758468405181276
EOS-2-30888,Fc1cc(-c2ccns2)ncc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,NKRHODZWJXXAMW-UHFFFAOYSA-N,2,1,0.4,45,575,426.839,4.908,5,0.41,0.67,1.0,0.35433657734219726,0.5818569666232609,0.8889726543759852,0.934908505242958,0.6900186758961003
EOS-2-30889,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)s2)c1,FPGYMNZBNMKBTN-UHFFFAOYSA-N,2,1,0.437,45,730,426.839,4.908,5,0.41,0.75,1.0,0.3028493591940237,0.6730518812966897,0.8111935439654582,0.9090877938455212,0.6740456445754233
EOS-2-30890,Fc1cccc(-c2nc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cs2)n1,QEFKDSDOYQGWDO-UHFFFAOYSA-N,2,1,0.4,45,140,426.839,4.908,5,0.383,0.71,0.995,0.265214858474402,0.6292063600849839,0.7839250222740045,0.8750171338496333,0.6383408436707559
EOS-2-30891,Fc1cccc(-c2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)s2)n1,MNQDAPSOTHKICZ-UHFFFAOYSA-N,2,1,0.378,45,140,426.839,4.908,5,0.383,0.73,1.0,0.22454766636967993,0.591734630936879,0.7942224659036392,0.8806798711534508,0.6227961585909122
EOS-2-30892,Cn1nnc(-c2nn(C)c(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2F)n1,RRPDMMLYZXNPCU-UHFFFAOYSA-N,2,1,0.494,36,404,426.803,2.3,5,0.43,0.6,1.0,0.5182646837091358,0.7351877869919814,0.05244671372764033,0.11938009732026592,0.35631982043725585
EOS-2-30893,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4Cl)n23)on1,PCKKMUSTLSKTQY-UHFFFAOYSA-N,2,1,0.517,36,446,426.799,2.946,5,0.422,0.7,1.0,0.6665581522856555,0.7211894318415462,0.31596532108834213,0.42485093550819,0.5321409601809335
EOS-2-30894,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n(C)n2)o1,GBCQYRFKCXZNEM-UHFFFAOYSA-N,2,1,0.477,22,706,426.799,3.468,5,0.429,0.66,1.0,0.4907734219724488,0.6879154958536083,0.27170002056061954,0.3357463504900281,0.44653382221917615
EOS-2-30895,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)no1,OONYHOYJPCHERO-UHFFFAOYSA-N,2,1,0.523,36,10,426.799,2.946,5,0.422,0.7,1.0,0.5391251456377218,0.6682801041738058,0.3196747995339593,0.41844287574532246,0.4863807312727023
EOS-2-30896,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)no1,CSCNWXDRFXYSEC-UHFFFAOYSA-N,2,1,0.444,36,908,426.799,3.643,5,0.419,0.62,1.0,0.4521451579740936,0.6927558083750257,0.290333082036872,0.39337605373175244,0.45715252552943586
EOS-2-30897,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)no1,ZMMBTGJSVXTHEL-UHFFFAOYSA-N,2,1,0.449,36,908,426.799,3.643,5,0.419,0.66,1.0,0.5940562675621959,0.735196353916798,0.3345212802412446,0.4184514426701391,0.5205563360975944
EOS-2-30898,Fn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)n1,IWASNJIRJQOKIN-UHFFFAOYSA-N,2,1,0.495,87,779,426.799,3.045,5,0.407,0.76,1.0,0.5764940716880269,0.6201596874785826,0.3049396888492907,0.3679922554999657,0.46739642587896646
EOS-2-30899,Cn1c(-c2nnco2)cnc1COc1cncc2nnc(-c3c(F)cccc3Cl)n12,QGHGNBQNAAAEOM-UHFFFAOYSA-N,2,1,0.43,36,877,426.799,2.946,5,0.422,0.65,1.0,0.5711568775272429,0.5963950380371462,0.2465389623740662,0.3580117880885477,0.4430256665067508
EOS-2-30900,Cn1cc(-c2cc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)on2)nn1,HOMPBOQIWNMOGY-UHFFFAOYSA-N,2,1,0.465,16,134,426.799,2.946,5,0.422,0.64,0.999,0.49564800219313276,0.5765711740113769,0.34150332396682886,0.4344972928517579,0.4620549482557741
EOS-2-30901,Fc1cc(-n2cc(-c3cncc4nnc(-c5cccc(F)c5F)n34)cn2)ccc1Cl,HUBIDIZESMNBNP-UHFFFAOYSA-N,2,1,0.329,45,102,426.789,4.715,5,0.419,0.79,1.0,0.07791618120759372,0.4084795421835378,0.9757127681447467,0.9859930779247481,0.6120253923651566
EOS-2-30902,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)cc1F,DHUTYUPEWFFEDA-UHFFFAOYSA-N,2,1,0.378,45,102,426.789,4.715,5,0.419,0.74,1.0,0.08014358165992735,0.46233123158111167,0.97503598108423,0.9865841957370982,0.6260237475155919
EOS-2-30903,Fc1cc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1F,GCHPBOZLNJLYGQ-UHFFFAOYSA-N,2,1,0.411,45,102,426.789,4.715,5,0.392,0.81,1.0,0.17431978616955657,0.5206634226578027,0.9742735247755465,0.9857103694057981,0.663741775752176
EOS-2-30904,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3Cl)n12,CUSNJOHEHCXUGB-UHFFFAOYSA-N,2,1,0.6,23,444,473.213,5.715,4,0.348,0.77,1.0,0.9868326365567816,0.9881947776026317,0.9989891028716332,0.9995887876088,0.9934013261599617
EOS-2-30905,FC(F)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)o4)n23)cn1,DQASNCMBFSGISL-UHFFFAOYSA-N,2,1,0.41,50,243,426.774,3.889,5,0.398,0.73,0.101,0.3028579261188404,0.5342848331163046,0.6574857789048043,0.6793400041121239,0.5434921355630183
EOS-2-30906,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5cnco5)nc4)n23)c(F)c1Cl,YWMRQXCMFJFHJO-UHFFFAOYSA-N,2,1,0.448,13,995,426.77,4.565,5,0.389,0.71,1.0,0.8339472962785278,0.8345298471660613,0.9111010211774382,0.9068175587691042,0.8715989308477828
EOS-2-30907,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(F)c(-c4ncon4)c3)n12,FRJVDZUAKUBZEQ-UHFFFAOYSA-N,2,1,0.512,13,145,426.77,4.565,5,0.416,0.77,1.0,0.8505071619491468,0.844750188472346,0.8974796107189363,0.9179459941059557,0.8776707388115962
EOS-2-30908,Fc1ccc(Oc2cncc3nnc(-c4ncc(F)c(-c5cnc(Cl)nc5)n4)n23)cc1Cl,VQVCZHZZWMJKLJ-UHFFFAOYSA-N,2,1,0.488,73,573,473.23,4.416,5,0.354,0.71,1.0,0.8660646974162155,0.787574532245905,0.7445343019669659,0.8357549174148448,0.8084821122609828
EOS-2-30909,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3c(F)cccc3Cl)n12,KCRVKPYHKYPVAU-UHFFFAOYSA-N,2,1,0.463,13,145,426.77,4.565,5,0.416,0.65,1.0,0.7833253375368378,0.8544222465903639,0.8879360564731684,0.9090963607703378,0.858695000342677
EOS-2-30910,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4F)n23)ccc1Cl,MFRVHZWSCBINBJ-UHFFFAOYSA-N,2,1,0.5,13,145,426.77,4.565,5,0.416,0.7,1.0,0.9140994448632719,0.9551692824343774,0.9234545267630732,0.9306421766842574,0.9308413576862449
EOS-2-30911,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)nc1Cl,BJGIDXXMPKVHHJ-UHFFFAOYSA-N,2,1,0.5,37,795,473.255,3.699,5,0.34,0.72,1.0,0.8727554656980331,0.8574206702761976,0.44870125419779316,0.5661023918854088,0.6862449455143582
EOS-2-30912,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)c(Cl)c(Cl)n1,OMPNHWUKQKOQSJ-UHFFFAOYSA-N,2,1,0.478,87,35,473.255,3.699,5,0.34,0.67,1.0,0.7395140840243986,0.7028133781097937,0.6072150640805977,0.6675176478651224,0.6792650435199781
EOS-2-30913,Fc1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(Cl)c4)n23)ccc1-c1nnco1,YSWOZDWVYJKAEZ-UHFFFAOYSA-N,2,1,0.432,54,773,473.255,3.699,5,0.34,0.58,0.972,0.7746470426975532,0.6730604482215065,0.5188215338222192,0.6029144678226304,0.6423608731409773
EOS-2-30914,Fc1nc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)ccc1-c1nnco1,LIZFHHJTBYSELO-UHFFFAOYSA-N,2,1,0.455,54,559,473.255,3.699,5,0.34,0.55,1.0,0.7917551915564389,0.6584195737098211,0.4973356863820163,0.6126122267150983,0.6400306695908436
EOS-2-30915,Cn1nc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)nc1Cl,MAAZPMRNMORRSA-UHFFFAOYSA-N,2,1,0.5,36,446,473.259,2.797,5,0.379,0.58,1.0,0.5520869028853402,0.7211979987663628,0.12483722842848331,0.2829398259200877,0.4202654890000685
EOS-2-30916,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)cc1Cl,BDUDVVRUWBUONB-UHFFFAOYSA-N,2,1,0.542,34,146,473.27,5.141,5,0.354,0.74,1.0,0.5711654444520595,0.8118274964018916,0.9629566170927284,0.9765523267767802,0.8306254711808648
EOS-2-30917,Fc1ccc(-n2nc(Cl)cc2COc2cncc3nnc(-c4cc(Cl)ccc4F)n23)cc1,KSLSVMFCRUXUEW-UHFFFAOYSA-N,2,1,0.506,34,612,473.27,5.141,5,0.354,0.67,1.0,0.45437255842642726,0.6292149270098005,0.9215612363785896,0.9558632033445275,0.7402529812898362
EOS-2-30918,Cn1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)cc1-c1ccc(F)c(Cl)c1,WXRIZWHHEREVOY-UHFFFAOYSA-N,2,1,0.556,45,570,473.27,5.569,5,0.342,0.7,1.0,0.5108457268179014,0.6010725789870468,0.954895140840244,0.972868549105613,0.7599204989377013
EOS-2-30919,Cn1nc(-c2nnc3cncc(Oc4cc(F)ccc4Cl)n23)cc1-c1ccc(Cl)c(F)c1,KELVMICYIATIGZ-UHFFFAOYSA-N,2,1,0.433,34,570,473.27,5.569,5,0.342,0.68,1.0,0.45671132890137756,0.62451168528545,0.9490524981152766,0.9704012747584128,0.7501691967651293
EOS-2-30920,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1cc(F)ccc1Cl,QPFZZKRXWFBKBS-UHFFFAOYSA-N,2,1,0.416,34,145,473.27,5.569,5,0.342,0.65,1.0,0.41054417106435476,0.52524672743472,0.9424988006305257,0.9678740319374958,0.7115409327667741
EOS-2-30921,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1ccc(Cl)c(F)c1,XITTVWWCHDFALC-UHFFFAOYSA-N,2,1,0.427,13,570,473.27,5.569,5,0.342,0.67,1.0,0.43318655335480777,0.5964036049619629,0.9490610650400932,0.9693818107052292,0.7370082585155233
EOS-2-30922,Cn1ncc(-c2nnc3cncc(Oc4cc(F)c(F)cc4Cl)n23)c1-c1ccc(Cl)cc1,LFTIPZWUQFVEKZ-UHFFFAOYSA-N,2,1,0.471,13,145,473.27,5.569,5,0.32,0.75,1.0,0.5520954698101569,0.6730690151463231,0.9497207182509766,0.9693903776300459,0.7860688952093757
EOS-2-30923,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)n(Cl)n5)n34)cc2F)n1,SWUJHUJPYJGCNJ-UHFFFAOYSA-N,2,1,0.5,37,563,473.299,3.804,5,0.373,0.61,1.0,0.7275460900555136,0.8345384140908779,0.6130063052566651,0.6793485710369406,0.7136098451099993
EOS-2-30924,Clc1cnc(-c2cc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)ncn2)cn1,HXKXIMZQALTGSL-UHFFFAOYSA-N,2,1,0.367,31,296,473.309,2.818,5,0.363,0.67,0.875,0.39755671304228635,0.3991158933589199,0.037874374614488386,0.11488246179151532,0.23735736070180247
EOS-2-30925,N=c1[nH]nc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c(Cl)cn2)s1,OAGLKWYFHMRSFS-UHFFFAOYSA-N,2,1,0.398,7,94,473.309,2.793,5,0.397,0.62,0.673,0.48082722226029745,0.5111712699609349,0.14263073127270234,0.22074395175107944,0.33884329381125355
EOS-2-30926,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnc(-c4ccc(Cl)cc4)s3)n12,NPDHKDQVOMJFQX-UHFFFAOYSA-N,2,1,0.568,34,372,473.32,5.335,5,0.343,0.78,1.0,0.7804468507984373,0.9314217668425742,0.7265865944760469,0.8642742101295319,0.8256823555616476
EOS-2-30927,Fc1ccc(-c2nscc2COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nc1,QRSCVJJUWSOMJD-UHFFFAOYSA-N,2,1,0.523,59,146,473.32,5.335,5,0.343,0.68,1.0,0.8435850866972792,0.905352614625454,0.7839335891988212,0.8778442190391337,0.852678877390172
EOS-2-30928,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)cc2Cl)ccn1,JBFRRXAYKJILGE-UHFFFAOYSA-N,2,1,0.543,97,91,473.32,5.335,5,0.321,0.61,1.0,0.8411520800493455,0.8607789048043314,0.857052292509081,0.9032622849701871,0.8655613905832362
EOS-2-30929,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nc2)nc1Cl,ZKDXRUWNEZIFDQ-UHFFFAOYSA-N,2,1,0.429,46,223,473.32,5.335,5,0.321,0.63,0.999,0.8109451031457748,0.827342197244877,0.8202487834966761,0.8659190596943321,0.831113785895415
EOS-2-30930,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)cc1Cl,MQKWUPPUNJQORH-UHFFFAOYSA-N,2,1,0.435,44,488,473.32,5.335,5,0.343,0.75,0.996,0.7572390514700843,0.7788791035569872,0.8660047289424988,0.907931258995271,0.8275135357412103
EOS-2-30931,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cc(Cl)ccn5)s4)n23)ccc1Cl,DWRHNPGZDJUOAW-UHFFFAOYSA-N,2,1,0.588,59,389,473.32,5.335,5,0.343,0.67,1.0,0.8880559934206017,0.9248595024330066,0.7942310328284559,0.8737920636008498,0.8702346480707285
EOS-2-30932,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nc(-c4ccc(Cl)cc4)ns3)n12,BHCNVISUVIFYSU-UHFFFAOYSA-N,2,1,0.556,34,929,473.32,5.335,5,0.343,0.75,1.0,0.7663456925502021,0.9266071550956069,0.7134534987320952,0.8577033787951477,0.8160274312932629
EOS-2-30933,Fc1cc(COc2cncc3nnc(-c4ccc(-c5csc(Cl)n5)nc4)n23)ccc1Cl,SIQHEPFLKUVRAT-UHFFFAOYSA-N,2,1,0.676,59,294,473.32,5.335,5,0.343,0.74,1.0,0.9017202385031869,0.9155729559317387,0.8688232472071825,0.8944126516345693,0.8951322733191694
EOS-2-30934,Fc1cc(Cl)c(-c2nnc3cncc(OCc4ncc(-c5cccs5)cn4)n23)cc1Cl,OQRWJWDWPJFHCC-UHFFFAOYSA-N,2,1,0.46,73,756,473.32,5.335,5,0.321,0.73,1.0,0.7889623740662052,0.8662189020629155,0.8297066684942773,0.879232060859434,0.8410300013707079
EOS-2-30935,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cscn5)n34)c(Cl)c2)cnc1Cl,LJRSFDZYCZOFJA-UHFFFAOYSA-N,2,1,0.612,97,71,473.32,5.335,5,0.321,0.73,0.996,0.6726920704543897,0.8483482968953464,0.8843893495990679,0.9134226578027551,0.8297130936878898
EOS-2-30936,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCc3cc(Cl)nc(Cl)c3)n12,JGGQQETXYHBXSW-UHFFFAOYSA-N,2,1,0.525,97,91,473.32,5.335,5,0.321,0.73,1.0,0.8806284696045508,0.8936330614762524,0.8925793297238024,0.9147248303748886,0.8953914227948735
EOS-2-30937,N#Cc1ccc(Cl)cc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,KWWNQSCPOHKGDK-UHFFFAOYSA-N,2,1,0.571,57,461,473.323,5.611,5,0.33,0.78,1.0,0.9095932424097046,0.9738109108354465,0.9534473305462271,0.9668288671098623,0.9509200877253101
EOS-2-30938,N#Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)c2)ccc1Cl,MWPBRUMYIDWHLQ-UHFFFAOYSA-N,2,1,0.548,97,137,473.323,5.611,5,0.33,0.78,1.0,0.8241038996641765,0.8856401206223015,0.9660664108011788,0.9753786580768967,0.9127972722911384
EOS-2-30939,N#Cc1c(Cl)ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)n4)n23)c1Cl,SRBYJGFGZQBZBE-UHFFFAOYSA-N,2,1,0.483,1,347,473.323,5.611,5,0.33,0.75,1.0,0.8109536700705915,0.9211500239873894,0.910124391748338,0.9306507436090741,0.8932197073538481
EOS-2-30940,Brc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,VHHSLXNHAMYEIA-UHFFFAOYSA-N,2,1,0.731,91,660,473.334,4.632,5,0.358,0.78,1.0,0.942490233705709,0.9531046535535604,0.6766414227948736,0.6763758481255568,0.812153039544925
EOS-2-30941,Brc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1,CPRMGWZXJNZJJU-UHFFFAOYSA-N,2,1,0.764,91,660,473.334,4.632,5,0.358,0.79,1.0,0.9600181618806113,0.9707867863751628,0.7057861010211774,0.6939466109245426,0.8326344150503735
EOS-2-30942,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Br)n34)cc2)nn1,UHFSNWCWJSUEAP-UHFFFAOYSA-N,2,1,0.549,43,613,473.334,4.898,5,0.362,0.81,1.0,0.7946336782948393,0.8513124528819135,0.6982129394832431,0.6618634774861216,0.7515056370365294
EOS-2-30943,Brc1cncc(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)c1,DAWWMEBZDPEZLM-UHFFFAOYSA-N,2,1,0.565,35,201,473.334,4.632,5,0.358,0.76,1.0,0.8002964155986567,0.7746384757727366,0.6738828730039065,0.6763844150503735,0.7313005448564183
EOS-2-30944,Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)c2)nn1,REOMBOBDEMEHAS-UHFFFAOYSA-N,2,1,0.633,43,433,473.334,4.898,5,0.362,0.78,1.0,0.8682406963196491,0.87492289767665,0.7057946679459941,0.6733260228908231,0.780571071208279
EOS-2-30945,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c(Cl)c2)n1,ZMFSSWNTWSLBOW-UHFFFAOYSA-N,2,1,0.511,37,563,473.345,5.14,5,0.337,0.8,1.0,0.7804554177232541,0.7705520526351861,0.4765780275512302,0.5595058597765746,0.6467728394215613
EOS-2-30946,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(OC(F)F)cn5)n34)o2)c(F)c1,ZTSXTSLLMAFSEY-UHFFFAOYSA-N,2,1,0.433,34,10,473.346,3.695,5,0.327,0.74,1.0,0.7486892605030498,0.8802772256870673,0.8089575765883079,0.7940768281817558,0.8080002227400451
EOS-2-30947,Cn1ncc(-c2nnc3cncc(OCCc4c(Cl)nsc4Cl)n23)c1-c1ccccn1,DVCMYLYMPDTVSC-UHFFFAOYSA-N,2,1,0.506,58,271,473.349,3.972,5,0.368,0.62,1.0,0.5210403673497361,0.5206719895826194,0.11061613323281475,0.24429442807209925,0.34915572955931745
EOS-2-30948,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)sn4)n23)cc1-c1cncc(Cl)c1,KVUQPLVCPWZYOW-UHFFFAOYSA-N,2,1,0.436,95,235,473.349,3.972,5,0.368,0.58,0.998,0.379746076348434,0.3845606880954013,0.2112260982797615,0.35470495510931394,0.33255945445822765
EOS-2-30949,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1cnc(Cl)nc1,VSVUAQCWXWVVSN-UHFFFAOYSA-N,2,1,0.432,31,462,473.349,3.972,5,0.345,0.63,0.927,0.45887019395517786,0.41797169488040575,0.28319683366458775,0.3680008224247824,0.38200988623123844
EOS-2-30950,Cn1nc(-c2nnc3cncc(OCCc4ncc(Cl)s4)n23)cc1-c1ccc(Cl)nc1,NKPKDXNKOFHIKC-UHFFFAOYSA-N,2,1,0.438,95,235,473.349,3.972,5,0.345,0.67,0.999,0.40375059968473714,0.42677849359194026,0.18678466177780823,0.30738982934685766,0.3311758961003358
EOS-2-30951,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nncn5C(F)(F)F)cc4)n23)cc1F,HBKYNKOXLAGORB-UHFFFAOYSA-N,2,1,0.726,43,520,473.365,4.383,5,0.353,0.71,1.0,0.919667945994106,0.9155815228565554,0.9869611404290316,0.9715835103831129,0.9484485299157015
EOS-2-30952,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nncn5C(F)F)cc4)n23)c(F)c1F,SLAIZPNGFSTIQY-UHFFFAOYSA-N,2,1,0.554,43,520,473.365,4.441,5,0.268,0.73,1.0,0.9356366938523748,0.8607874717291482,0.9739736824069632,0.9612860667534782,0.9329209786854911
EOS-2-30953,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5nncn5C(F)(F)F)cc4)n23)c1,WUXUSXDZBITFAO-UHFFFAOYSA-N,2,1,0.561,43,520,473.365,4.383,5,0.353,0.69,1.0,0.8364916729490782,0.8574292372010143,0.9854190939620314,0.9708210540744294,0.9125402645466383
EOS-2-30954,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)c1,FKDAZGFGTLBFDY-UHFFFAOYSA-N,2,1,0.478,59,577,473.365,4.441,5,0.268,0.64,1.0,0.5711740113768762,0.7258241381673635,0.9717976835035296,0.9552292509080941,0.8060062709889658
EOS-2-30955,CCn1nc(-c2nncn2C(F)F)cc1COc1cncc2nnc(-c3cc(F)cc(F)c3)n12,UIKOQZWQSCSSAZ-UHFFFAOYSA-N,2,1,0.545,36,404,473.394,3.519,5,0.334,0.64,1.0,0.3996470426975533,0.5072047837708177,0.5287848673840039,0.5564817353162909,0.4980296072921664
EOS-2-30956,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(-c5nnco5)cc4F)n23)nc1,AFBJKBGPISXVBJ-UHFFFAOYSA-N,2,1,0.365,13,870,473.403,3.707,6,0.369,0.64,1.0,0.5738640257693098,0.529710095264204,0.5152234253992187,0.4533787951476938,0.5180440853951066
EOS-2-30957,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(Oc5cc(F)ccc5F)cc4)n23)no1,PUMCRPXFUHIIMR-UHFFFAOYSA-N,2,1,0.392,3,219,473.403,3.707,6,0.369,0.76,1.0,0.31337810979370845,0.4488811596189432,0.4593499417449112,0.5335138098828045,0.43878075526009186
EOS-2-30958,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6nnco6)nc5)n34)cn2)cc1F,WQZDAFIKKWFNIY-UHFFFAOYSA-N,2,1,0.453,6,389,473.403,3.279,6,0.359,0.59,1.0,0.4150075388938387,0.4179802618052224,0.5913234185456788,0.5628469604550751,0.49678954492495375
EOS-2-30959,FC(F)n1nnnc1COc1cncc2nnc(-c3ccc(-c4cc5cnccc5nn4)cc3)n12,PPDCALKDYXVFAE-UHFFFAOYSA-N,2,1,0.39,71,415,473.407,2.757,6,0.355,0.5,1.0,0.4883575491741485,0.5387824686450552,0.2429751216503324,0.27990713453498733,0.3875055685011308
EOS-2-30960,FC(F)Oc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1,FLJOWLMOGHLCOV-UHFFFAOYSA-N,2,1,0.409,61,973,473.407,2.82,6,0.387,0.65,1.0,0.14140566102391885,0.2867949420875882,0.4268041943663902,0.43739291343979164,0.32309942772942224
EOS-2-30961,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)c(F)c5)n34)n2)cc1,IFNIQYRCEGYJDX-UHFFFAOYSA-N,2,1,0.452,34,612,473.407,2.409,6,0.386,0.66,1.0,0.4472705777534096,0.5252552943595367,0.3492649578507299,0.4055410869714207,0.43183297923377423
EOS-2-30962,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)c(F)c1,BIWFQTGOXNOQGR-UHFFFAOYSA-N,2,1,0.589,67,499,473.407,2.409,6,0.386,0.66,1.0,0.34755157288739635,0.46659756013981224,0.3980193269823864,0.4374014803646083,0.4123924850935508
EOS-2-30963,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnnn6C)on5)n34)cc2)o1,RQGHKEBDFQZERM-UHFFFAOYSA-N,2,1,0.5,71,415,473.413,1.607,6,0.328,0.68,1.0,0.3452556370365294,0.21986155849496264,0.015746007813035433,0.007478925364950997,0.1470855321773696
EOS-2-30964,Fc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)s2)cn1,XNBSCWDGFXIJGR-UHFFFAOYSA-N,2,1,0.478,55,772,473.415,4.5,5,0.336,0.63,1.0,0.7777825371804538,0.8636402576930985,0.8427712288396957,0.8238383249948599,0.8270080871770269
EOS-2-30965,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)ncc2F)s1,VMWDGIPSEAFBMW-UHFFFAOYSA-N,2,1,0.457,73,712,473.415,4.149,5,0.28,0.66,1.0,0.5881622232883285,0.7705606195600028,0.7678963059420191,0.7683160852580357,0.7237338085120966
EOS-2-30966,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)ccc1C(F)(F)F,AXNHYYOYSAHOAX-UHFFFAOYSA-N,2,1,0.547,27,51,473.415,4.442,5,0.349,0.73,1.0,0.5626584881091083,0.7258327050921801,0.9675741895689124,0.9263501473511069,0.7956038825303269
EOS-2-30967,Fc1cc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)s2)cnc1F,FBKVVIGECOLOLW-UHFFFAOYSA-N,2,1,0.462,27,430,473.415,4.5,5,0.265,0.73,0.717,0.7690528407922692,0.819631964909876,0.8444075114796793,0.787034815982455,0.8050317832910698
EOS-2-30968,N#Cc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)cn1,QWGRSYBJARYMOE-UHFFFAOYSA-N,2,1,0.598,1,676,473.418,4.718,5,0.364,0.81,1.0,0.9495665136042766,0.8856486875471181,0.9860616133232815,0.9595812487149613,0.9452145157974094
EOS-2-30969,Cn1ncc(-c2nnc3cncc(-c4cnn(-c5ccnc(F)c5)c4)n23)c1-c1ccc(F)cc1F,FHJFFBHGFHYFHH-UHFFFAOYSA-N,2,1,0.318,45,673,473.422,3.857,6,0.361,0.63,1.0,0.023636145569186483,0.204997943938044,0.7655318346926188,0.7963898978822562,0.44763895552052635
EOS-2-30970,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5F)nn4)n23)c(F)c1,FTXANHVHGFZPGZ-UHFFFAOYSA-N,2,1,0.3,10,783,473.422,3.857,6,0.386,0.66,1.0,0.06417483380165856,0.2814063463779042,0.7470786786375163,0.7804125830991707,0.46826811047906247
EOS-2-30971,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cnnn5C)c4)n23)no1,RUMDXWKOPRCWKH-UHFFFAOYSA-N,2,1,0.454,36,404,473.432,2.088,6,0.353,0.61,1.0,0.4081625659653211,0.5111798368857515,0.11647590980741553,0.12406620519498321,0.28997112946336784
EOS-2-30972,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cc(-c5nnnn5C)nn4C)n23)c(F)c1,LEBBSMYLVRAQMX-UHFFFAOYSA-N,2,1,0.374,36,292,473.436,1.442,6,0.361,0.6,1.0,0.4105527379891714,0.5342934000411212,0.02796244260160373,0.02897333972997053,0.25044548009046674
EOS-2-30973,CN(C(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cncnc5)cc4)n23)cc1)C(F)F,DWDMNXYWCAERCH-UHFFFAOYSA-N,2,1,0.536,1,528,473.443,4.335,5,0.339,0.85,1.0,0.8844578849976013,0.6388527174285519,0.7861781235007882,0.6559780001370707,0.7413666815160029
EOS-2-30974,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc5ccc(F)c(F)c5n4C)n23)cn1,RKWKDNGQLLTECM-UHFFFAOYSA-N,2,1,0.402,73,353,473.447,3.331,6,0.379,0.7,0.97,0.5911092454252621,0.5870313892125283,0.33452984716606127,0.3388047426495785,0.46286880611335746
EOS-2-30975,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCCc5nnc6ccccn56)n34)cc2)n1,LFBHYVXFNQMVMC-UHFFFAOYSA-N,2,1,0.472,72,889,473.447,3.714,6,0.348,0.62,1.0,0.5571156877527242,0.6105989993831814,0.4193081351518059,0.42485950243300663,0.5029705811801796
EOS-2-30976,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5nnc6ccccn56)n34)cc2)cn1,MIXXSFHQAQWWAQ-UHFFFAOYSA-N,2,1,0.483,72,519,473.447,3.714,6,0.348,0.67,1.0,0.49078198889726543,0.5765797409361936,0.4765865944760469,0.47508738263313,0.5047589267356589
EOS-2-30977,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)ccc1-c1csnn1,RCKBFBHGWGKSAR-UHFFFAOYSA-N,2,1,0.512,81,49,473.453,3.473,6,0.354,0.66,1.0,0.6278527859639503,0.520680556507436,0.37577959015831675,0.36160989651154823,0.47148070728531283
EOS-2-30978,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5nccs5)n4)n23)ccc1-c1ncon1,JGOIUWBNFVPKHT-UHFFFAOYSA-N,2,1,0.534,80,8,473.453,3.473,6,0.354,0.73,1.0,0.6541618120759373,0.6829038448358578,0.18031663354122404,0.18372626961825783,0.42527714001781924
EOS-2-30979,Fc1cnc(-c2csnn2)nc1COc1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,BHNWBXAPFFLKSV-UHFFFAOYSA-N,2,1,0.457,40,25,473.453,3.473,6,0.354,0.65,1.0,0.5571242546775409,0.5964121718867795,0.20765369063121103,0.2297220889589473,0.3977280515386197
EOS-2-30980,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ncc(-c6nnco6)cc5F)n34)cc2)s1,XATBKIPKLYZMSB-UHFFFAOYSA-N,2,1,0.391,67,622,473.453,3.995,6,0.362,0.73,1.0,0.6195086011925159,0.5765883078610102,0.21432732506339525,0.1892947707490919,0.3999297512165033
EOS-2-30981,Fc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)nc1,WLPWXZZDNLBIAR-UHFFFAOYSA-N,2,1,0.447,40,117,473.453,3.473,6,0.354,0.69,1.0,0.5968747858268796,0.6341323418545679,0.14859331094510314,0.18111335754917415,0.39017844904393123
EOS-2-30982,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCc3ccc(-c4csnn4)nc3)n12,IQUDEBRFETZVLO-UHFFFAOYSA-N,2,1,0.477,81,49,473.453,3.473,6,0.354,0.68,1.0,0.562667055033925,0.5434771434445891,0.36792372010143237,0.34843396614351313,0.45562547118086494
EOS-2-30983,c1ccc(-c2nc(-c3cc(-c4cncc5nnc(-c6ccc(-c7ncc[nH]7)cc6)n45)no3)no2)cc1,WRKBLGJEZBAZMZ-UHFFFAOYSA-N,2,1,0.305,93,203,473.456,4.553,7,0.381,0.61,1.0,0.23284044959221437,0.17435405386882324,0.2643410321431019,0.29788054280035636,0.24235401960112396
EOS-2-30984,Fc1cc(-c2nncs2)cnc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,ORGGUPBHSLYYIM-UHFFFAOYSA-N,2,1,0.462,71,893,473.457,2.603,6,0.383,0.63,1.0,0.6027259954766637,0.5024929751216504,0.19354396545815913,0.20633438420944417,0.37627433006647937
EOS-2-30985,c1cnnc(-c2ccc3n[nH]c(Oc4cncc5nnc(-c6ccc(-c7cc[nH]n7)cc6)n45)c3n2)c1,QMCVWVOWPFDFON-UHFFFAOYSA-N,2,1,0.311,81,763,473.46,3.702,7,0.381,0.59,0.244,0.5210489342745528,0.5072133506956343,0.2681190459872524,0.28582687958330477,0.3955520526351861
EOS-2-30986,COc1cc(OC)cc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)c(OC)c4)n23)c1,KVECDXBAYXTRED-UHFFFAOYSA-N,2,1,0.518,1,209,473.464,4.811,5,0.333,0.73,1.0,0.8570180248098143,0.6730775820711398,0.8475515728873964,0.6361027345624015,0.7534374785826881
EOS-2-30987,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)nc2OC)nc1,HNQQTGMIVKYCIZ-UHFFFAOYSA-N,2,1,0.464,49,501,473.468,3.421,5,0.335,0.57,0.995,0.6967651291892263,0.5667277773970255,0.36425707627989856,0.2234939346172298,0.46281097937084503
EOS-2-30988,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5ncon5)s4)n23)cc1F,UQFKSSRWTYIOND-UHFFFAOYSA-N,2,1,0.329,32,750,473.468,5.218,6,0.346,0.67,0.99,0.3257401823041601,0.48386848057021453,0.5621102049208416,0.6240833390446165,0.49895055170995817
EOS-2-30989,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1nc(C)cc(=O)n1C,ITYWZVDDPCMQQX-UHFFFAOYSA-N,2,1,0.469,16,375,473.468,2.982,5,0.37,0.65,1.0,0.6082259612089644,0.43134466451922415,0.40498423685833734,0.2916780892330889,0.4340582379549037
EOS-2-30990,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5c(F)cc(-c6nncs6)cc5F)n34)cc2)o1,WYTJJVBPRMWXLD-UHFFFAOYSA-N,2,1,0.321,3,923,473.468,5.218,6,0.346,0.66,1.0,0.3283188266739771,0.5206891234322527,0.7265951614008636,0.7159036392296622,0.5728766876841889
EOS-2-30991,Cc1nc(-c2ccc(F)nc2)c(-c2nnc3cncc(-c4ccc(-c5cnco5)c(F)c4)n23)s1,AHOVJHAQSATKPD-UHFFFAOYSA-N,2,1,0.301,42,299,473.468,5.218,6,0.324,0.72,1.0,0.26775923514495237,0.40388767048180385,0.6162103351380989,0.6618720444109383,0.4874323212939483
EOS-2-30992,COCc1ncccc1-c1ccc(COc2cncc3nnc(-c4ccc(CO)c(F)c4)n23)nn1,BDZTVHVKDYOSQA-UHFFFAOYSA-N,2,1,0.527,4,534,473.468,3.0,5,0.362,0.63,0.997,0.5968833527516962,0.6435816599273525,0.5558563498046741,0.4564029196079775,0.5631810705229251
EOS-2-30993,FC(F)c1ccc(-c2nnc3cncc(-c4cnc(-c5nc(-c6ccccn6)cs5)o4)n23)cc1,ZQMNCLBBGSGPFW-UHFFFAOYSA-N,2,1,0.338,32,126,473.468,5.569,6,0.323,0.61,1.0,0.3133866767185251,0.4884946199712151,0.662908642313755,0.6618806113357549,0.5316676375848125
EOS-2-30994,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nc2OC)cn1,YCJWYRWNBFEWRM-UHFFFAOYSA-N,2,1,0.434,49,501,473.468,3.421,5,0.335,0.69,0.999,0.7183366458775958,0.5158488109108355,0.4380439997258584,0.2710318004249195,0.4858153142348023
EOS-2-30995,COc1cc(F)cc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)nc2OC)c1,YIXVAKQBJYIJLO-UHFFFAOYSA-N,2,1,0.404,49,501,473.468,3.421,5,0.335,0.63,0.99,0.6334384209444178,0.5527122883969571,0.404992803783154,0.2858354465081214,0.4692447399081626
EOS-2-30996,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(F)s6)cn5)n34)cc2F)o1,KQYQWGMAMGWPOF-UHFFFAOYSA-N,2,1,0.35,42,680,473.468,5.218,6,0.346,0.66,1.0,0.3427969296141457,0.4838770474950312,0.7266037283256802,0.682458364745391,0.5589340175450621
EOS-2-30997,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cc(F)cc(F)c6)s5)n34)cc2)o1,RAUQJJRYLXTQMS-UHFFFAOYSA-N,2,1,0.354,3,641,473.468,5.218,6,0.346,0.6,1.0,0.297760605852923,0.47518161880611337,0.6072236310054143,0.6446439586046193,0.5062024535672676
EOS-2-30998,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)s5)n34)s2)cc1,XGRSAPHQEGTTGN-UHFFFAOYSA-N,2,1,0.28,76,126,426.53,5.638,6,0.396,0.52,1.0,0.040024672743472,0.06533993557672538,0.4452316496470427,0.5299756699335206,0.27014298197519016
EOS-2-30999,Cn1cnnc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)c(F)c1,VZVOEYZKJMMFPJ-UHFFFAOYSA-N,2,1,0.342,3,642,473.472,4.051,6,0.381,0.67,1.0,0.10143238982934685,0.2868035090124049,0.584949626482078,0.6240919059694332,0.39931935782331573
EOS-2-31000,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)c(F)c6)c5)n34)cn2)s1,BLBIIWLMMQOJRT-UHFFFAOYSA-N,2,1,0.327,10,673,473.472,4.144,6,0.379,0.71,0.564,0.02932458364745391,0.2456908368172161,0.47659516140086355,0.5262404907134535,0.3194627681447467
EOS-2-31001,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C6CCOCC6)c5)nn4)n23)nc1,DGIWWOZQKGHOQI-UHFFFAOYSA-N,2,1,0.414,53,44,473.472,2.909,6,0.367,0.62,0.892,0.1887122198615585,0.0762456308683435,0.04073572750325543,0.10553594681653074,0.10280738126242205
EOS-2-31002,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncc(F)cc6F)c5)n34)cc2)s1,GMFHCGNKHXLOLL-UHFFFAOYSA-N,2,1,0.318,3,150,473.472,4.144,6,0.379,0.72,1.0,0.022616681516003014,0.21987012541977932,0.39052326776780205,0.4312332944966075,0.266060842300048
EOS-2-31003,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1nc(C)nc(=N)[nH]1,MBQDSWPKRFZJFK-UHFFFAOYSA-N,2,1,0.466,15,771,473.472,2.528,5,0.368,0.6,1.0,0.6167843191008155,0.5434857103694058,0.23570180248098144,0.13922966212048524,0.383800373517922
EOS-2-31004,FC(F)n1cc(-c2ccc(-c3cncc4nnc(-c5scnc5-c5ccccn5)n34)nc2)cn1,KOLDPXOCQPQFDL-UHFFFAOYSA-N,2,1,0.297,70,935,473.472,4.63,6,0.36,0.59,1.0,0.09403056678774586,0.21987869234459598,0.4939089164553492,0.4811184977040642,0.3222341683229388
EOS-2-31005,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ncon6)s5)n34)n2)n1C,BTLAENOBELPKGJ-UHFFFAOYSA-N,2,1,0.358,31,794,473.482,2.376,6,0.351,0.49,1.0,0.3158625179905421,0.17857754780344048,0.0060396819957508055,0.0030840929340004114,0.12589096018093343
EOS-2-31006,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(CN5CC(F)(F)C5)cc4)n23)cc1,QIVPNEBXHAZDMW-UHFFFAOYSA-N,2,1,0.523,62,451,473.487,4.435,6,0.363,0.71,1.0,0.760211774381468,0.6341409087793846,0.6249828661503667,0.629848879446234,0.6622961071893634
EOS-2-31007,N#CCOc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cn5ccccc5n4)n23)cc1,IJMMXHWOPUEKHG-UHFFFAOYSA-N,2,1,0.458,12,285,473.496,4.587,6,0.334,0.72,1.0,0.5265060653827702,0.4797220889589473,0.7317781509149476,0.6854053868823248,0.6058529230347475
EOS-2-31008,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Oc6ncccn6)cc5)n34)cc2)nc1,GHHQIRWFAIUSEI-UHFFFAOYSA-N,2,1,0.56,77,427,473.496,5.015,6,0.319,0.8,1.0,0.7364128572407649,0.47973065588376396,0.6461260365979028,0.5335223768076212,0.5989479816325132
EOS-2-31009,c1ccc(Oc2cccc(COc3cncc4nnc(-c5ccc(-c6ccnnc6)cn5)n34)c2)cc1,HNMZKJXRKDJVKX-UHFFFAOYSA-N,2,1,0.451,17,410,473.496,5.015,6,0.319,0.77,1.0,0.5364950997190049,0.3562127338770475,0.6928329106983757,0.6417654718662189,0.5568265540401618
EOS-2-31010,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nc2)cc1,TUCQHFWQNFGSOY-UHFFFAOYSA-N,2,1,0.552,17,960,473.496,5.015,6,0.319,0.8,1.0,0.48836611609896513,0.4038962374066205,0.6955057912411761,0.6269960934822836,0.5536910595572613
EOS-2-31011,COc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(O)cc5)cn4)n23)cn1,LIUFJPAXXXCNSY-UHFFFAOYSA-N,2,1,0.31,69,174,473.496,4.692,6,0.384,0.78,1.0,0.20529778630662737,0.10559591529024741,0.5913319854704955,0.49940031526283324,0.35040650058255085
EOS-2-31012,Oc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cn4)n23)cc1,HFAYKONHYPFHJY-UHFFFAOYSA-N,2,1,0.557,41,120,473.496,4.595,6,0.374,0.64,1.0,0.41501610581865533,0.3705023644712494,0.5849581934068947,0.5063566582139675,0.4692083304776917
EOS-2-31013,c1ccc(Oc2cccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)c2)cc1,GYBMZSCQHFSFKL-UHFFFAOYSA-N,2,1,0.505,17,960,473.496,5.015,6,0.319,0.7,1.0,0.3590055513672812,0.31747309985607564,0.5490028099513399,0.509517853471318,0.4337498286615037
EOS-2-31014,c1ccc(-c2nccnc2-c2cccc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)nc1,NKYCIHXEQTWEFL-UHFFFAOYSA-N,2,1,0.506,28,297,473.5,3.722,6,0.342,0.59,1.0,0.642202385031869,0.4797392228085806,0.27586354602152013,0.2682818175587691,0.41652174285518473
EOS-2-31015,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6ccnnc6)n5)n34)ccn2)cn1,VQUVDHFSKPKKFA-UHFFFAOYSA-N,2,1,0.484,28,667,473.5,3.988,6,0.354,0.64,1.0,0.3704423959975327,0.2972123226646563,0.44168494277294224,0.3484425330683298,0.3644455486258653
EOS-2-31016,CC(=O)N=c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)n[nH]1,XSNUGTKAVWSYAT-UHFFFAOYSA-N,2,1,0.296,30,668,473.5,3.481,6,0.419,0.55,0.999,0.030472551572887398,0.053586114728257146,0.31968336645877593,0.24993146460146665,0.16341837434034678
EOS-2-31017,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cccnc6)nn5)n34)nc2)nc1,PVVZHJCPWUHTQN-UHFFFAOYSA-N,2,1,0.483,28,280,473.5,3.722,6,0.342,0.7,1.0,0.5365036666438215,0.4267870605167569,0.24298368857514907,0.24125316976218217,0.36188189637447743
EOS-2-31018,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cn5)n34)nc2)n1,RUXSFKRKLAUVKP-UHFFFAOYSA-N,2,1,0.414,6,280,473.5,3.988,6,0.354,0.74,1.0,0.3590141182920979,0.27125454047015285,0.4233003221163731,0.33575491741484476,0.34733097457336715
EOS-2-31019,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cn2)cn1,ZQZHKTTZQUQNIP-UHFFFAOYSA-N,2,1,0.436,28,363,473.5,3.988,6,0.354,0.78,1.0,0.6054931121924474,0.41798882873003906,0.4525049688163937,0.3680093893495991,0.46099907477211977
EOS-2-31020,Cc1cccc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)n1,XFXJFXBCXRLYHW-UHFFFAOYSA-N,2,1,0.469,40,868,473.5,3.988,6,0.354,0.71,0.999,0.4588787608799945,0.39912446028373655,0.3453070385854294,0.2829483928449044,0.3715646631485162
EOS-2-31021,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cn2)cn1,XEFQRYLCACLEAL-UHFFFAOYSA-N,2,1,0.436,28,297,473.5,3.988,6,0.354,0.77,1.0,0.5655112740730588,0.3942156123637859,0.40852237680762116,0.33881330957439515,0.4267656432047152
EOS-2-31022,COc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(C)n5)cn4)n23)cc1,SCZKZWVYBYUZIN-UHFFFAOYSA-N,2,1,0.349,38,167,473.5,4.084,6,0.365,0.72,1.0,0.26522342539921867,0.12147899390034952,0.33059762867521075,0.2443029949969159,0.24040076074292369
EOS-2-31023,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(-c6cncnc6)n5)n34)cn2)nc1,ZUJJMSMLKXKAPS-UHFFFAOYSA-N,2,1,0.479,28,297,473.5,3.722,6,0.342,0.7,1.0,0.5365122335686382,0.5483945582893565,0.2977177712288397,0.265214858474402,0.4119598553903091
EOS-2-31024,Cc1nnc(-c2ccc(=O)n(C)n2)cc1-c1cncc2nnc(-c3cccnc3-c3ccccc3)n12,RCZHVYVJNPOYDZ-UHFFFAOYSA-N,2,1,0.303,30,371,473.5,3.379,6,0.383,0.49,0.024,0.09174319786169556,0.06534850250154205,0.1517716400520869,0.1811219244739908,0.12249631622232882
EOS-2-31025,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnccn5)n4)n23)cc1,CZBYDVVPCFNTRD-UHFFFAOYSA-N,2,1,0.469,40,355,473.5,3.988,6,0.354,0.66,1.0,0.4932321293948324,0.39422417928860254,0.2869063121102049,0.23547906243574807,0.352460420807347
EOS-2-31026,COc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccc(C)nn6)c5)n34)cc2)cn1,PHNGEUOAKIGDSH-UHFFFAOYSA-N,2,1,0.31,42,725,473.5,4.084,6,0.365,0.7,1.0,0.295156260708656,0.15032382975807004,0.4155900897813721,0.31364368446302515,0.2936784661777808
EOS-2-31027,COc1nc(-c2cncc(C)n2)ccc1-c1cncc2nnc(-c3ccnnc3-c3ccccc3)n12,IIIUYBVTRMIUNT-UHFFFAOYSA-N,2,1,0.287,30,945,473.5,4.084,6,0.365,0.48,1.0,0.24934034678911657,0.10560448221506408,0.22858268795833048,0.20025186758961003,0.1959448461380303
EOS-2-31028,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnc6ccccn56)nn4C)n23)cc1,CKXXZRCFTNKBRA-UHFFFAOYSA-N,2,1,0.312,98,42,473.504,3.302,7,0.386,0.68,1.0,0.05360324857789048,0.03873963402097183,0.13337845247070113,0.16456205880337194,0.09757084846823384
EOS-2-31029,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cc5)n34)cc2)cc1,JBTIUWJILZUWIP-UHFFFAOYSA-N,2,1,0.662,21,492,473.511,6.238,6,0.287,0.85,1.0,0.9638561441984785,0.9074258104310876,0.9436896031800425,0.9408967856898088,0.9389670858748543
EOS-2-31030,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)cc2)cc1,GNNZYQOBXHWLEZ-UHFFFAOYSA-N,2,1,0.548,21,47,473.511,6.238,6,0.287,0.8,1.0,0.870613734493866,0.8749314646014666,0.890086354602152,0.8944212185593859,0.8825131930642176
EOS-2-31031,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)cc2)nc1,QXNOYVQOHGKRRV-UHFFFAOYSA-N,2,1,0.529,21,47,473.511,6.238,6,0.287,0.79,1.0,0.9676684257418957,0.8662274689877322,0.9073315742581043,0.906826125693921,0.9120133986704133
EOS-2-31032,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)cc5)n34)cc2)nc1,AIMCCDQODFKUEZ-UHFFFAOYSA-N,2,1,0.575,21,47,473.511,6.238,6,0.287,0.81,1.0,0.9697416215475293,0.8662360359125488,0.9204561030772394,0.9158642313755054,0.9180744979782057
EOS-2-31033,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)cc1-c1ccccc1,JLAIGAOEVNQWPE-UHFFFAOYSA-N,2,1,0.566,12,47,473.511,6.238,6,0.287,0.82,1.0,0.9613803029264615,0.8983106024261531,0.920464670002056,0.9168408608046056,0.924249109039819
EOS-2-31034,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)cc2)cc1,FLXXVZCYKGDOTO-UHFFFAOYSA-N,2,1,0.608,21,47,473.511,6.238,6,0.287,0.83,1.0,0.9733482968953464,0.8828044685079843,0.9167551915564389,0.9147333972997053,0.9219103385648687
EOS-2-31035,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)c5)n34)cc2)nc1,MSMXGZQLYZEXDM-UHFFFAOYSA-N,2,1,0.561,21,47,473.511,6.238,6,0.287,0.75,1.0,0.9564800219313275,0.8662446028373655,0.9158213967514222,0.9134312247275718,0.9129943115619217
EOS-2-31036,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ccncc6)c5)n34)c2)cc1,QQEKOSQRXUDEMY-UHFFFAOYSA-N,2,1,0.608,12,492,473.511,6.238,6,0.287,0.76,1.0,0.8617041326845316,0.7833681721609211,0.9402799671030087,0.940065793982592,0.8813545164827634
EOS-2-31037,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)nc2)cc1,GOQGPTJDPPTLLN-UHFFFAOYSA-N,2,1,0.483,21,47,473.511,6.238,6,0.287,0.82,1.0,0.8570265917346309,0.7746470426975532,0.9041104105270372,0.9134397916523884,0.8623059591529025
EOS-2-31038,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)c5)n34)cc2)cc1,QFRUIMLYPQITRU-UHFFFAOYSA-N,2,1,0.612,21,47,473.511,6.238,6,0.287,0.83,1.0,0.967197244876979,0.9135254609005551,0.9260331711328902,0.922375094236173,0.9322827427866494
EOS-2-31039,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cccc(C)n6)cc5F)n34)cc2)n1,CJHBIZYWEGPJNN-UHFFFAOYSA-N,2,1,0.321,30,532,473.515,5.733,6,0.325,0.72,1.0,0.30286649304365704,0.42238366116098963,0.7058032348708108,0.6646991296004386,0.523938129668974
EOS-2-31040,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6C)c(F)c5)n34)nc2)nn1,ZMSMUAJOYUIOGW-UHFFFAOYSA-N,2,1,0.34,93,74,473.515,5.733,6,0.325,0.72,1.0,0.2706034541840861,0.4084881091083545,0.790101775066822,0.7659344801590021,0.5587819546295661
EOS-2-31041,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)c(F)c6)cc5)n34)cc2)cn1,QIGLXGLVKWHSAR-UHFFFAOYSA-N,2,1,0.316,69,645,473.515,5.733,6,0.325,0.73,1.0,0.3028750599684737,0.42679562744157357,0.8222534439037763,0.7753923651566034,0.5818291241176067
EOS-2-31042,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)c(F)c6)cc5)n34)cc2)cn1,RDFZXXBHUMNOHL-UHFFFAOYSA-N,2,1,0.316,69,645,473.515,5.733,6,0.325,0.73,1.0,0.3028836268932904,0.4268041943663902,0.822262010828593,0.77540093208142,0.5818376910424234
EOS-2-31043,CC(C)(N)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)cn1,KHWLSJLHLQNUHU-UHFFFAOYSA-N,2,1,0.472,89,205,426.484,3.145,5,0.444,0.85,1.0,0.415024672743472,0.19111952573504215,0.552352477554657,0.30427146871359056,0.36569203618669044
EOS-2-31044,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccn2)c(C)n1,YYUNMUZUBKTSJF-UHFFFAOYSA-N,2,1,0.581,75,796,426.484,3.395,5,0.393,0.76,0.999,0.31842402851072577,0.16578712905215545,0.10801178808854774,0.07509766294291001,0.16683015214858474
EOS-2-31045,CCn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(C)cn1,HKGWHSJUKIVTHD-UHFFFAOYSA-N,2,1,0.46,31,493,426.484,3.395,5,0.393,0.8,1.0,0.13870707970666848,0.009055239531217875,0.1080203550133644,0.08938729353711192,0.08629249194709068
EOS-2-31046,CCn1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5C)n34)ccn2)n1,WOKYGUCYMVARHY-UHFFFAOYSA-N,2,1,0.512,75,359,426.484,3.395,5,0.393,0.68,1.0,0.2544462339798506,0.11809505859776574,0.18355493112192448,0.1217531354944829,0.16946233979850592
EOS-2-31047,CCn1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c(C)n1,IKDZRMCRZWIDNV-UHFFFAOYSA-N,2,1,0.483,58,981,426.484,3.395,5,0.393,0.76,1.0,0.227460420807347,0.1657956959769721,0.08351895003769447,0.06413199917757521,0.13522676649989718
EOS-2-31048,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5C)n34)cn2)n(C)n1,ASRKLNAVWNCSJX-UHFFFAOYSA-N,2,1,0.55,15,73,426.484,3.22,5,0.411,0.77,1.0,0.38444075114796794,0.27642896305942016,0.1026745939277637,0.08051195942704407,0.21101406689054894
EOS-2-31049,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(C)n5)n34)ccn2)c(C)n1,PRLZKGWFVBUCOX-UHFFFAOYSA-N,2,1,0.489,92,567,426.484,3.661,5,0.409,0.77,1.0,0.20250496881639365,0.10897128366801453,0.14860187786991982,0.08052052635186073,0.13514966417654717
EOS-2-31050,CCc1cccc(COc2cncc3nnc(-c4ccc(-c5cn(C)nc5C)nc4)n23)n1,PBKSTXVWKWGMTA-UHFFFAOYSA-N,2,1,0.441,92,464,426.484,3.432,5,0.41,0.78,1.0,0.267767802069769,0.19577993283530945,0.16123809197450484,0.08394729627852786,0.1771832807895278
EOS-2-31051,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc(C)n(C)n5)nc4)n23)ccn1,VFKYUTXFDDWIJQ-UHFFFAOYSA-N,2,1,0.527,58,579,426.484,3.22,5,0.411,0.68,1.0,0.38201631142485093,0.24074772119799875,0.20061167843191008,0.112517990542115,0.23397342539921867
EOS-2-31052,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4ccc(C)nc4C)n23)c1,CQAIIKYNBSNLCV-UHFFFAOYSA-N,2,1,0.511,15,931,426.484,3.661,5,0.409,0.74,1.0,0.1915050373517922,0.10222911383729696,0.1365225138784182,0.08395586320334453,0.12855313206771296
EOS-2-31053,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cc1,RCRSYVBPSOZVBP-UHFFFAOYSA-N,2,1,0.359,69,695,426.483,5.582,6,0.368,0.83,1.0,0.10886848057021452,0.13180213830443424,0.7539236515660338,0.7847217462819547,0.4448290041806593
EOS-2-31054,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccccn6)c5)n34)cn2)cc1,NNHKMTKRGGWNJV-UHFFFAOYSA-N,2,1,0.343,69,695,426.483,5.582,6,0.368,0.85,1.0,0.1064269069974642,0.11810362552258241,0.7420413268453157,0.7804211500239874,0.4367482523473374
EOS-2-31055,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cc2)cc1,DODRIUTZZZTGRF-UHFFFAOYSA-N,2,1,0.341,21,987,426.483,5.582,6,0.368,0.87,1.0,0.14689705983140292,0.16200911520800493,0.7988657391542732,0.8277105750119937,0.4838706223014187
EOS-2-31056,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cccnc6)n5)n34)cc2)cc1,NHMRFVWEPQMYLY-UHFFFAOYSA-N,2,1,0.373,93,651,426.483,5.582,6,0.368,0.86,1.0,0.16080974573367143,0.16580426290178876,0.7518590226852169,0.7917723254060722,0.4675613391816873
EOS-2-31057,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)cc2)cc1,KAZYWPJJFFIWNI-UHFFFAOYSA-N,2,1,0.391,93,651,426.483,5.582,6,0.368,0.83,1.0,0.15274826948118703,0.15808546364197107,0.8168562812692756,0.8379052155438284,0.4913988074840655
EOS-2-31058,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)cc1,LOACAEDCTGSHNG-UHFFFAOYSA-N,2,1,0.385,21,987,426.483,5.582,6,0.368,0.9,1.0,0.1527568364060037,0.1869817010485916,0.8089661435131246,0.8298523062161607,0.49463924679597016
EOS-2-31059,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cc1,BSEDEACAUKLTJQ-UHFFFAOYSA-N,2,1,0.397,21,810,426.483,5.582,6,0.368,0.87,1.0,0.18583373312315812,0.17436262079363993,0.8570608594338976,0.87502570077445,0.5230707285312864
EOS-2-31060,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)nc1,PWTGGZXQMQVOEA-UHFFFAOYSA-N,2,1,0.39,69,695,426.483,5.582,6,0.368,0.82,1.0,0.13871564663148517,0.15809403056678775,0.7839421561236378,0.7963984648070729,0.4692875745322459
EOS-2-31061,c1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccccc6)n5)n34)cc2)cc1,DWQFPUGHNDITTK-UHFFFAOYSA-N,2,1,0.403,21,810,426.483,5.582,6,0.368,0.81,1.0,0.17432835309437325,0.18264683709135768,0.7317867178397642,0.7940853951065725,0.4707118257830169
EOS-2-31062,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccccn6)n5)n34)cc2)cc1,MNAYZOREEREPSH-UHFFFAOYSA-N,2,1,0.391,93,993,426.483,5.582,6,0.368,0.8,1.0,0.16081831265848812,0.17437118771845658,0.6982215064080598,0.7450911520800494,0.4446255397162635
EOS-2-31063,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)cc1,XJIRTWGEQBCJSZ-UHFFFAOYSA-N,2,1,0.373,93,695,426.483,5.582,6,0.368,0.85,1.0,0.15276540333082037,0.13542594750188472,0.7608114591186348,0.7917808923308889,0.4601959255705572
EOS-2-31064,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)cc1,IHISGRFPZNORPZ-UHFFFAOYSA-N,2,1,0.354,93,93,426.483,5.582,6,0.368,0.79,1.0,0.15277397025563705,0.1354345144267014,0.7291481049962305,0.780429716948804,0.4494465766568433
EOS-2-31065,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)cc5)n34)cn2)cc1,FKTONGBMAUFWKT-UHFFFAOYSA-N,2,1,0.333,69,695,426.483,5.582,6,0.368,0.86,1.0,0.11132718799259818,0.13544308135151806,0.7964755671304229,0.8257744500034268,0.4672550716194915
EOS-2-31066,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)nc5)n34)cc2)cc1,CYGMIPGTNJSSQG-UHFFFAOYSA-N,2,1,0.391,21,651,426.483,5.582,6,0.368,0.89,1.0,0.13872421355630182,0.18699026797340826,0.7608200260434514,0.7895106572544719,0.4690112912069084
EOS-2-31067,c1ccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nc2)cc1,VSJOCMVOXLQQKT-UHFFFAOYSA-N,2,1,0.338,93,93,426.483,5.582,6,0.368,0.73,1.0,0.11435987937769858,0.1089798505928312,0.6681858680008225,0.737363785895415,0.4072223459666918
EOS-2-31068,c1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccncc6)ccn5)n34)cc2)cc1,VVBXBGXNFRCMOE-UHFFFAOYSA-N,2,1,0.397,93,651,426.483,5.582,6,0.368,0.84,1.0,0.1635083270509218,0.15438455212117058,0.8183897608114591,0.8436621890206292,0.49498620725104514
EOS-2-31069,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)cc1,MLQBUFWIYXDHNM-UHFFFAOYSA-N,2,1,0.344,93,737,426.483,5.582,6,0.368,0.8,1.0,0.08439277636899459,0.10561304913988075,0.7239993831814132,0.7847303132067713,0.424683880474265
EOS-2-31070,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)cc5)n34)cc2)nc1,YHGFKBTZIJGMOM-UHFFFAOYSA-N,2,1,0.338,69,958,426.483,5.582,6,0.368,0.8,1.0,0.12504283462408333,0.15439311904598726,0.8241296004386266,0.8357634843396614,0.48483225961208964
EOS-2-31071,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cc1,NONGWJDPTRQSPB-UHFFFAOYSA-N,2,1,0.391,69,695,426.483,5.582,6,0.368,0.85,1.0,0.11959427044068262,0.1503323966828867,0.7655404016174354,0.7870433829072716,0.4556276129120691
EOS-2-31072,CS(=O)(=O)c1ccc(OC2CC2)c(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,BYXZLBYPBKHLSI-UHFFFAOYSA-N,2,1,0.305,61,697,473.518,3.188,6,0.398,0.79,1.0,0.1743369200191899,0.1214875608251662,0.22859125488314713,0.29464224521965593,0.2047644952367898
EOS-2-31073,OC1COCC1c1csc(COc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)n1,ZMYYYFAUTNTKIU-UHFFFAOYSA-N,2,1,0.473,24,747,473.518,2.759,6,0.397,0.45,0.839,0.31066239462682477,0.2868120759372216,0.22148927421012954,0.19729627852785964,0.2540650058255089
EOS-2-31074,CS(=O)(=O)c1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccn2)nc1,GLIXUNUWJQUZQA-UHFFFAOYSA-N,2,1,0.593,75,583,473.518,2.668,5,0.351,0.73,0.995,0.4759612089644301,0.3314628880816942,0.1867932287026249,0.1567490233705709,0.28774158727983007
EOS-2-31075,COc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1ccnn1C,DTDDQOQEYWJMAB-UHFFFAOYSA-N,2,1,0.697,91,309,426.48,3.822,5,0.394,0.77,1.0,0.4785741210335138,0.2005003084092934,0.5389195394421219,0.3933846206565691,0.4028446473853745
EOS-2-31076,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)c1,XISKOMIATKSVRF-UHFFFAOYSA-N,2,1,0.716,91,309,426.48,3.822,5,0.394,0.77,1.0,0.6511462545404701,0.5484031252141731,0.5849667603317114,0.42486806935782334,0.5523460523610445
EOS-2-31077,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccn(C)n4)cc3)n12,ZVPBLKSZYMGXFD-UHFFFAOYSA-N,2,1,0.625,91,309,426.48,3.822,5,0.394,0.79,1.0,0.5210575011993694,0.3608388732780481,0.5389281063669386,0.38080837502570075,0.4504082139675142
EOS-2-31078,COc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1nccn1C,URIKORRFQNEMFW-UHFFFAOYSA-N,2,1,0.697,91,309,426.48,3.822,5,0.394,0.76,1.0,0.5626756219587417,0.1697621821670893,0.46647762319237884,0.3357634843396614,0.38366972791446774
EOS-2-31079,COCCc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)cc1,HRBMAFZBYICKAR-UHFFFAOYSA-N,2,1,0.517,89,230,426.48,3.745,5,0.376,0.74,1.0,0.4785826879583305,0.3124443149886917,0.572493317798643,0.45016619834144334,0.4534216297717771
EOS-2-31080,Cc1ncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5F)n34)s2)nn1,HGTSCTDIBVSLAK-UHFFFAOYSA-N,2,1,0.321,42,151,473.522,4.338,6,0.372,0.61,1.0,0.22455623329449662,0.40390480433143716,0.21123466520457818,0.2682903844835858,0.2769965218285244
EOS-2-31081,CC#Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cn2)cn1,JRDSGWUPXXBRDH-UHFFFAOYSA-N,2,1,0.288,42,725,473.525,4.2,6,0.351,0.63,1.0,0.041506750736755534,0.09902508395586321,0.42681276129120693,0.3710335138098828,0.23459452744842713
EOS-2-31082,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6c[nH]nn6)s5)n34)cc2)cn1,DOXPZRJMKTYGKK-UHFFFAOYSA-N,2,1,0.275,98,725,426.469,3.1,6,0.46,0.57,1.0,0.023644712494003153,0.07625419779316017,0.18680179562744156,0.19730484545267632,0.1210013878418203
EOS-2-31083,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cccs5)s4)n23)cc1F,QCSOYDBIYWQABL-UHFFFAOYSA-N,2,1,0.333,32,126,473.533,6.589,6,0.29,0.69,0.932,0.32832739359879376,0.49322356247001575,0.8510811459118635,0.8849461997121513,0.639394575423206
EOS-2-31084,Fc1cc(F)c(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cc1-c1cncs1,DLACMSKRFFUKSD-UHFFFAOYSA-N,2,1,0.361,41,30,473.533,6.589,6,0.29,0.74,1.0,0.34526420396134605,0.502501542046467,0.9375471180864917,0.9456685628126927,0.6827453567267494
EOS-2-31085,Cn1cnnc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cc4)n23)o1,NPEPATYQRILMTL-UHFFFAOYSA-N,2,1,0.282,42,727,426.465,3.97,6,0.42,0.63,1.0,0.09874237543691317,0.06535706942635872,0.1612466588993215,0.23253204029881433,0.13946953601535192
EOS-2-31086,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5nc(C#N)cs5)n34)c2)cn1,CYHYOPZRPSJWIN-UHFFFAOYSA-N,2,1,0.494,4,506,426.465,3.464,5,0.42,0.7,1.0,0.4683280789527791,0.5343019669659379,0.27170858748543625,0.22973065588376396,0.3760173223219793
EOS-2-31087,Cc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)s2)nn1,UTNKCGSQCZEZSH-UHFFFAOYSA-N,2,1,0.585,89,805,426.465,3.464,5,0.42,0.68,0.999,0.5940648344870125,0.6435902268521692,0.2832054005894044,0.27104036734973613,0.44797520731958057
EOS-2-31088,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccs5)o4)n23)cc1,AEUFKVHURZDMLV-UHFFFAOYSA-N,2,1,0.324,38,42,426.465,3.97,6,0.42,0.73,1.0,0.22175484887944624,0.1911280926598588,0.14861044479473648,0.16457062572818862,0.18151600301555754
EOS-2-31089,COc1cc(-c2nnsc2C)ccc1-c1cncc2nnc(-c3ccc(C#N)nc3)n12,ZKZWPFKIWZWBEP-UHFFFAOYSA-N,2,1,0.337,82,336,426.465,3.561,5,0.428,0.75,0.998,0.15814543211568774,0.15440168597080392,0.3604876293605647,0.30092180111027345,0.24348913713933246
EOS-2-31090,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccco5)s4)n23)cc1,XYKRQIIYRXGZQE-UHFFFAOYSA-N,2,1,0.301,38,63,426.465,3.97,6,0.42,0.67,1.0,0.08230244671372763,0.07626276471797684,0.167474813241039,0.1920104859159756,0.12951262764717977
EOS-2-31091,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)c2)s1,VDNIAEPJENGIHZ-UHFFFAOYSA-N,2,1,0.518,46,160,426.465,3.464,5,0.42,0.7,1.0,0.46833664587759577,0.3512439174833802,0.39802789390720306,0.3042800356384072,0.3804721232266466
EOS-2-31092,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)cc1,KPHRIXAKTVIQMF-UHFFFAOYSA-N,2,1,0.329,38,865,426.465,3.97,6,0.42,0.61,1.0,0.21621204852306217,0.1581025974916044,0.2357103694057981,0.23548762936056472,0.21137816119525737
EOS-2-31093,COc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1,NWHBLFBOUWDYFA-UHFFFAOYSA-N,2,1,0.541,12,603,473.536,5.837,6,0.292,0.77,1.0,0.605501679117264,0.37544548009046674,0.8755739839627168,0.8070814200534576,0.6659006408059763
EOS-2-31094,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)cc1,BTVUVAWIIGKNCU-UHFFFAOYSA-N,2,1,0.725,12,285,473.54,4.875,6,0.329,0.76,1.0,0.8109622369954081,0.5622644095675416,0.5880594201905284,0.5724590500993764,0.6334362792132137
EOS-2-31095,Cc1cccc(-c2nn(C)cc2COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,JDQLSWUFBSHABP-UHFFFAOYSA-N,2,1,0.517,12,285,473.54,5.141,6,0.333,0.78,1.0,0.3659447604687821,0.29722088958947296,0.4906449181001988,0.46275957782194505,0.40414253649509974
EOS-2-31096,Cc1c(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cnn1C,HPVFSVUJGLTSKX-UHFFFAOYSA-N,2,1,0.494,12,285,473.54,5.141,6,0.333,0.79,1.0,0.33817935713796177,0.3314714550065109,0.5188301007470358,0.46905626756219587,0.41438429511342606
EOS-2-31097,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c(-c2ccccc2)n1,UFYPZMGFFZRMBX-UHFFFAOYSA-N,2,1,0.538,12,363,473.54,4.875,6,0.329,0.71,1.0,0.4611061613323281,0.2972294565142896,0.4117264066890549,0.4345058597765746,0.4011419710780618
EOS-2-31098,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)cc2)cn1,QGCRDAGKWUBXAV-UHFFFAOYSA-N,2,1,0.473,12,285,473.54,5.316,6,0.312,0.66,1.0,0.3257487492289768,0.28141491330272084,0.5490113768761565,0.49013946953601534,0.41157862723596733
EOS-2-31099,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)cc2)cn1,PRUKDNYZTWSBOF-UHFFFAOYSA-N,2,1,0.547,12,285,473.54,5.316,6,0.312,0.68,1.0,0.377475841272017,0.22520731958056336,0.6162189020629155,0.5465269686793228,0.44135725789870467
EOS-2-31100,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)n1C,DVVPYNHUGUPRTA-UHFFFAOYSA-N,2,1,0.57,12,285,473.54,5.141,6,0.333,0.79,1.0,0.5182732506339525,0.3363631690768282,0.4803817421698307,0.4844081968336646,0.454856589678569
EOS-2-31101,COc1cc(-c2cccc(C)n2)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,LOCDXZMLHXPRJU-UHFFFAOYSA-N,2,1,0.341,9,867,473.54,5.238,6,0.341,0.72,1.0,0.21911623603591254,0.018547392228085807,0.6335840586663012,0.4931635939962991,0.3411028202316497
EOS-2-31102,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)cc1,PTVLNQXPNUIWLR-UHFFFAOYSA-N,2,1,0.518,12,285,473.54,5.316,6,0.312,0.67,1.0,0.5442824343773559,0.3608474402028648,0.5389366732917552,0.5398619011719553,0.4959821122609829
EOS-2-31103,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cc4)n23)cc1,UGDSDWJOCYIXTP-UHFFFAOYSA-N,2,1,0.562,12,285,473.54,5.316,6,0.312,0.74,1.0,0.5821225412925776,0.3656106504009321,0.5785501336440272,0.5694092248646426,0.5239231375505449
EOS-2-31104,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)nc5)n34)cc2)cn1,RZHADQSTEHKUKY-UHFFFAOYSA-N,2,1,0.615,12,285,473.54,4.875,6,0.329,0.75,1.0,0.7028990473579604,0.43603933931875816,0.6335926255911178,0.5755003084092934,0.5870078301692825
EOS-2-31105,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6ccsc6)n5)n34)cc2)n1,XZNRLSKIUMSVOU-UHFFFAOYSA-N,2,1,0.489,40,25,473.543,4.914,6,0.336,0.67,1.0,0.4290230278939072,0.42681276129120693,0.17406277842505655,0.14161983414433554,0.29287960043862654
EOS-2-31106,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccccc6)nn(C)c5C5CC5)n34)nc2)n1,CERUOTKSPZHDSA-UHFFFAOYSA-N,2,1,0.288,98,945,473.544,4.532,7,0.365,0.6,1.0,0.030481118497704063,0.06121924473990816,0.06791857994654239,0.14885888561441984,0.07711945719964361
EOS-2-31107,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)cn1,YDMFTRTXLWYLLB-UHFFFAOYSA-N,2,1,0.647,11,56,426.455,4.317,5,0.402,0.86,1.0,0.896922760605853,0.9211585909122062,0.7188677952162292,0.667526214789939,0.801118840381057
EOS-2-31108,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ccccn5)n4)n23)cc1,SVGFWNPLFZWVTL-UHFFFAOYSA-N,2,1,0.565,11,275,426.455,4.317,5,0.402,0.73,0.999,0.9518967171544103,0.9444349256390926,0.5455846069494894,0.5229850592831198,0.7412253272565281
EOS-2-31109,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)n1,ZGDBLFCPFYJCKH-UHFFFAOYSA-N,2,1,0.517,11,275,426.455,4.317,5,0.402,0.77,1.0,0.8085120964978412,0.8910201494071688,0.6162274689877322,0.5943132753066959,0.7275182475498595
EOS-2-31110,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ccc2F)cn1,WETQRQGDGVYCRJ-UHFFFAOYSA-N,2,1,0.724,91,660,426.455,4.317,5,0.402,0.78,1.0,0.9656123637858954,0.9657665684325955,0.7317952847645809,0.6854139538071414,0.8371470426975532
EOS-2-31111,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cc2)nn1,JJEYZWZGZDTWLL-UHFFFAOYSA-N,2,1,0.712,91,660,426.455,4.317,5,0.402,0.78,1.0,0.9261445411555068,0.9509286546501268,0.6982300733328765,0.6618891782605716,0.8092981118497704
EOS-2-31112,Cc1ccc(-c2nnc3cncc(OCCc4ccnc(-c5ccc(F)nc5)c4)n23)cc1,VKVZBQRZCNVXAZ-UHFFFAOYSA-N,2,1,0.638,11,201,426.455,4.317,5,0.377,0.8,1.0,0.960026728805428,0.9607891851141115,0.7420498937701323,0.6824669316702077,0.8363331848399698
EOS-2-31113,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5)n34)ccc2F)cn1,JXINOSXWZUABAI-UHFFFAOYSA-N,2,1,0.556,97,253,426.455,4.583,5,0.409,0.71,1.0,0.8806370365293674,0.8157854156671921,0.8222705777534096,0.7290881365225139,0.8119452916181207
EOS-2-31114,Cc1ccnnc1CCOc1cncc2nnc(-c3ccc(-c4ccccc4)c(F)c3)n12,UBDSBZNPSBWCQS-UHFFFAOYSA-N,2,1,0.565,91,660,426.455,4.317,5,0.402,0.7,1.0,0.8593225275854979,0.9028082379549037,0.5689637447741759,0.6062384346514975,0.7343332362415187
EOS-2-31115,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5csc(-c6nccs6)n5)n34)ccn2)c1,FFQQQHZUIRHTCO-UHFFFAOYSA-N,2,1,0.5,24,597,473.547,3.746,6,0.36,0.65,1.0,0.347560139812213,0.3363717360016448,0.06792714687135906,0.053671783976423824,0.20138270166541017
EOS-2-31116,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(OCc3cnc(-c4csnn4)s3)n12,ICOKVCVEEIZSHT-UHFFFAOYSA-N,2,1,0.406,81,49,473.547,3.746,6,0.36,0.55,0.437,0.22746898773216367,0.12859810842300048,0.035132958673154684,0.04992803783153999,0.11028202316496472
EOS-2-31117,Cn1ncnc1-c1ncsc1COc1cncc2nnc(-c3ccc(-c4ccccn4)s3)n12,MGJPGPACZHYXRS-UHFFFAOYSA-N,2,1,0.44,76,272,473.547,3.746,6,0.36,0.56,1.0,0.27061202110890276,0.12517133849633336,0.027971009526420395,0.03393358919882119,0.11442198958261943
EOS-2-31119,Fc1cc(CCOc2cncc3nnc(-c4ccccc4)n23)ccc1Oc1ccccc1,CAOFDHDPLAATLH-UHFFFAOYSA-N,2,1,0.72,79,590,426.451,5.344,5,0.351,0.84,1.0,0.9619971215132616,0.9466880268658763,0.8674354053868824,0.8454698101569461,0.9053975909807416
EOS-2-31120,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)n12,OSNYWLRVFAEECK-UHFFFAOYSA-N,2,1,0.76,79,590,426.451,5.344,5,0.351,0.82,1.0,0.9809300253580975,0.972097525872113,0.8807826742512508,0.8691830580494826,0.925748320882736
EOS-2-31121,Oc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1ccccc1,FJCPGZQUUZLAMN-UHFFFAOYSA-N,2,1,0.684,79,650,426.451,4.925,5,0.417,0.75,1.0,0.9661606469741622,0.9389435268316085,0.8833013501473511,0.8792406277842506,0.9169115379343431
EOS-2-31124,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)ccn2)c(C)n1,KUHJKWOLRNKBBO-UHFFFAOYSA-N,2,1,0.449,65,454,426.444,2.067,5,0.398,0.67,1.0,0.5032896991296004,0.29217497087245564,0.05052772256870674,0.03394215612363786,0.21998363717360014
EOS-2-31125,Cc1nc(-c2nnc3cncc(-c4ccc(-c5cnc(C=O)nc5)cn4)n23)n(C(C)C)n1,WIIDVMCIBSFFIP-UHFFFAOYSA-N,2,1,0.247,50,974,426.444,2.604,5,0.389,0.63,1.0,0.021434445891302858,0.007650263861284354,0.015120622301418682,0.005782674251250771,0.012497001576314167
EOS-2-31126,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)nc(C)n2)cn1,DYAUQIIRAHIUQP-UHFFFAOYSA-N,2,1,0.4,31,330,426.444,2.067,5,0.398,0.58,1.0,0.4956565691179494,0.1957884997601261,0.04704098416832294,0.030772393941470768,0.19231461174696732
EOS-2-31127,COc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,YHPCMDPUJOTGST-UHFFFAOYSA-N,2,1,0.544,65,419,426.44,2.668,5,0.387,0.8,1.0,0.5314406140771709,0.322390514700843,0.2869148790350216,0.17819203618669044,0.3297345109999315
EOS-2-31128,COc1cnccc1COc1cncc2nnc(-c3ccnc(-c4cnc(C)cn4)c3)n12,AHBNHJSLFRWNNY-UHFFFAOYSA-N,2,1,0.456,75,99,426.44,2.934,5,0.404,0.64,1.0,0.3820248783496676,0.1318107052292509,0.3122215749434583,0.16721780549653897,0.24831874100472895
EOS-2-31129,CCOc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)cn1,WMEXORLQDBMDOU-UHFFFAOYSA-N,2,1,0.435,7,815,426.44,3.016,5,0.387,0.78,1.0,0.37748440819683365,0.36561921732574876,0.2681276129120691,0.15933623466520458,0.292641868274964
EOS-2-31130,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)cn2)cn1,VDIDFIACALDWGO-UHFFFAOYSA-N,2,1,0.429,4,617,426.44,2.934,5,0.404,0.75,1.0,0.38666815160030155,0.28682064286203823,0.2395140840243986,0.1282211637310671,0.26030601055445135
EOS-2-31131,OCc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)cn1,YOMPYPORDVDSFE-UHFFFAOYSA-N,2,1,0.483,15,795,426.44,2.152,5,0.417,0.69,1.0,0.5157288739634021,0.4179973956548557,0.1579141251456377,0.13256459461311768,0.3060512473442533
EOS-2-31132,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnc(C)nc5)nc4)n23)c1,PJQPVJBHFQGGKL-UHFFFAOYSA-N,2,1,0.473,7,282,426.44,2.934,5,0.404,0.73,1.0,0.46357343567952847,0.3656277842505654,0.3159738880131588,0.16722637242135563,0.32810037009115206
EOS-2-31133,Cc1ccncc1COc1cncc2nnc(-c3cc(-c4cnn(C)c(=O)c4)ccn3)n12,PWUYHPYBUIBUSI-UHFFFAOYSA-N,2,1,0.361,18,711,426.44,2.229,5,0.42,0.63,1.0,0.2652319923240354,0.05739839627167432,0.26813617983688576,0.19201905284079226,0.19569640531834692
EOS-2-31134,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)ccc1=O,HEFFEQYMTPICKP-UHFFFAOYSA-N,2,1,0.551,58,796,426.44,1.964,5,0.405,0.66,0.829,0.444760468782126,0.24075628812281544,0.10268316085258036,0.08559214584332808,0.21844801590021246
EOS-2-31135,COc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)c1,KVOKNOBKWGECDP-UHFFFAOYSA-N,2,1,0.5,75,454,426.44,2.668,5,0.387,0.68,1.0,0.5571328216023577,0.31245288191350834,0.3604961962853814,0.24126173668699882,0.3678359091220616
EOS-2-31136,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(=O)n(C)n5)nc4)n23)nc1,FZLLBCVOSCKDRN-UHFFFAOYSA-N,2,1,0.447,4,617,426.44,2.229,5,0.42,0.65,0.993,0.3309060379686108,0.16977074909190598,0.16125522582413818,0.109965046946748,0.19297426495785075
EOS-2-31137,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)cn1,ZFJBCFBMDXYBKZ-UHFFFAOYSA-N,2,1,0.57,87,903,426.44,2.668,5,0.387,0.77,1.0,0.5911178123500788,0.4981152765403331,0.16126379274895483,0.09133198547049551,0.33545721677746554
EOS-2-31138,COc1cc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1-c1cncnc1,IQHCPCMHTKXUQS-UHFFFAOYSA-N,2,1,0.489,15,771,426.44,2.668,5,0.387,0.67,1.0,0.4932406963196491,0.36563635117538207,0.3012045096292235,0.2179082996367624,0.3444974641902543
EOS-2-31139,COc1ncc(-c2nnc3cncc(-c4ccc(-c5cnc(C)cn5)cc4)n23)c(OC)n1,FXAFBZRJKOXONB-UHFFFAOYSA-N,2,1,0.302,82,478,426.44,3.031,5,0.418,0.74,1.0,0.27843362346652045,0.026951545473236926,0.14861901171955316,0.06749880063052567,0.13037574532245905
EOS-2-31140,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cnncn1,CIOGNNVQALEMLM-UHFFFAOYSA-N,2,1,0.591,15,771,426.44,2.668,5,0.387,0.68,1.0,0.6222071825097663,0.36085600712768146,0.29772633815365634,0.2002604345144267,0.3702624905763827
EOS-2-31141,OCc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,SYPBENNXROJDMC-UHFFFAOYSA-N,2,1,0.506,65,858,426.44,2.152,5,0.417,0.65,1.0,0.40817113289013773,0.33638030292646154,0.3083921595504078,0.2412703036118155,0.32355347474470564
EOS-2-31142,OCc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,NNHPETAEXWNWJS-UHFFFAOYSA-N,2,1,0.465,18,720,426.44,2.152,5,0.417,0.67,1.0,0.3452727708861627,0.20500651086286067,0.2609399629908848,0.20026900143924337,0.2528720615447879
EOS-2-31143,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cc1=O,HHUQESKECDFDJD-UHFFFAOYSA-N,2,1,0.443,18,840,426.44,1.964,5,0.405,0.76,1.0,0.3055051058871907,0.018555959152902476,0.19700500308409294,0.16457919265300527,0.17141131519429784
EOS-2-31144,COc1nc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1-c1ccccn1,XKIXTKCZXNFVDJ-UHFFFAOYSA-N,2,1,0.483,49,501,426.44,2.668,5,0.387,0.6,1.0,0.5182818175587691,0.2302532382975807,0.16127235967377151,0.10771194571996436,0.2543798403125214
EOS-2-31145,COc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)n1,XWOPDQOTFXIZSC-UHFFFAOYSA-N,2,1,0.59,75,530,426.44,2.668,5,0.387,0.64,1.0,0.5821311082173943,0.2868292097868549,0.2501884723459667,0.15934480159002123,0.3196233979850593
EOS-2-31146,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(C#N)o4)n23)c1,JMIQEIAOKNLTTG-UHFFFAOYSA-N,2,1,0.396,31,211,426.44,3.156,5,0.389,0.68,0.999,0.31587108491535876,0.12149612774998286,0.3269652525529436,0.24431156192173256,0.25216100678500447
EOS-2-31147,OCc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,LHPCKLYDBIBAPF-UHFFFAOYSA-N,2,1,0.477,65,858,426.44,2.152,5,0.417,0.65,1.0,0.44028853402782536,0.3413405523953122,0.2832139675142211,0.22350250154204646,0.3220863888698513
EOS-2-31148,COc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1cnc(C)nc1,IGNJMJHLVPDXPY-UHFFFAOYSA-N,2,1,0.489,4,83,426.44,2.934,5,0.404,0.64,1.0,0.39965560962236996,0.2606401206223014,0.3345384140908779,0.19202761976560895,0.2967154410252896
EOS-2-31149,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)cc1=O,YJMWJWIDDYQJFU-UHFFFAOYSA-N,2,1,0.524,15,470,426.44,1.964,5,0.405,0.69,1.0,0.37270406414913304,0.1620176821328216,0.25019703927078335,0.21791686656157905,0.25070891302857923
EOS-2-31150,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2)cn1,PFWKRUBMNPFYRZ-UHFFFAOYSA-N,2,1,0.471,54,411,426.44,2.668,5,0.387,0.74,1.0,0.582139675142211,0.32239908162565967,0.21124323212939483,0.1392382290453019,0.31375505448564184
EOS-2-31151,COc1cccc(C)c1COc1cncc2nnc(-c3cc(-c4cncnc4)ncn3)n12,FWTBLLFNQZSBFW-UHFFFAOYSA-N,2,1,0.389,46,395,426.44,2.934,5,0.404,0.62,0.584,0.40817969981495444,0.16581282982660545,0.3568209855390309,0.21531252141731205,0.28653150914947567
EOS-2-31152,COc1nc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1ccccn1,PHFNLZQBBIQFDQ-UHFFFAOYSA-N,2,1,0.478,49,501,426.44,2.668,5,0.387,0.69,0.999,0.5032982660544171,0.21988725926941266,0.14862757864436982,0.10135528750599684,0.2432920978685491
EOS-2-31153,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccnn5)n34)c2)cn1,AIGGJCKCWORQCR-UHFFFAOYSA-N,2,1,0.426,18,367,426.44,2.152,5,0.417,0.66,1.0,0.3888698512781852,0.2557227057775341,0.2248475087382633,0.1920361866904256,0.26536906312110203
EOS-2-31154,COc1ncc(-c2nnc3cncc(OCCc4ccnnc4)n23)cc1-c1ccccn1,NAOICPJNYOIZCM-UHFFFAOYSA-N,2,1,0.483,65,657,426.44,2.668,5,0.387,0.61,1.0,0.47859125488314713,0.2660715509560688,0.2112517990542115,0.13924679597011858,0.2737903502158865
EOS-2-31155,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)cn1,XWDYBEVWWKVDJO-UHFFFAOYSA-N,2,1,0.538,65,903,426.44,2.668,5,0.387,0.78,1.0,0.5911263792748955,0.4708895894729628,0.23952265094921527,0.13685662394626824,0.35959881091083545
EOS-2-31156,COc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)c1,YLPLAXNTHZBEJP-UHFFFAOYSA-N,2,1,0.522,75,454,426.44,2.668,5,0.387,0.68,0.953,0.5391337125625385,0.30718422315125765,0.30494825577410734,0.19731341237749297,0.3371449009663491
EOS-2-31157,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)cn1,MFUMTFMZJHVVLX-UHFFFAOYSA-N,2,1,0.582,75,530,426.44,2.152,5,0.417,0.71,1.0,0.40175450620245357,0.2972380234391063,0.2681447467617024,0.20634295113426085,0.2933700568843808
EOS-2-31158,CCOc1cnc(-c2cccc(-c3nnc4cncc(OCc5cnccn5)n34)c2)cn1,QQNRZYCXQDCJFQ-UHFFFAOYSA-N,2,1,0.446,7,815,426.44,3.016,5,0.387,0.74,1.0,0.34051812761291206,0.31748166678089235,0.2502056061956,0.15935336851483792,0.2668896922760606
EOS-2-31159,CCn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)s1,QXXRBTQGLGTMIB-UHFFFAOYSA-N,2,1,0.299,98,314,473.562,5.666,6,0.323,0.58,0.811,0.2082191076691111,0.35125248440819684,0.41173497361387157,0.5031183606332671,0.36858123158111167
EOS-2-31160,COc1cccnc1COc1cncc2nnc(-c3ccc(Oc4ccccn4)cc3)n12,RNTGHRGDCGPGOA-UHFFFAOYSA-N,2,1,0.583,1,881,426.436,3.961,5,0.386,0.74,1.0,0.4472791446782263,0.3801915564389007,0.4837142759235145,0.3136522513878418,0.4062093071071208
EOS-2-31161,COc1ccccc1Oc1cncc2nnc(-c3ccc(-c4cnccn4)c(OC)c3)n12,LPAHQKZLXDOCCC-UHFFFAOYSA-N,2,1,0.488,1,209,426.436,4.058,5,0.401,0.83,1.0,0.4907905558220821,0.1658213967514221,0.6102049208416147,0.3933931875813858,0.4150525152491262
EOS-2-31162,Cc1nc(-c2nnc3cncc(OC4c5ccccc5CC4O)n23)ccc1-c1cnco1,YVVKUUSCBAYTTN-UHFFFAOYSA-N,2,1,0.435,89,348,426.436,3.187,6,0.466,0.46,0.989,0.4081882667397711,0.26064868754711806,0.747087245562333,0.6388270166541018,0.5136878041258309
EOS-2-31163,c1ccc(-c2ncsc2-c2nnc3cncc(-c4cnnc(-c5conn5)c4)n23)nc1,ILAKTCRJJRMMNF-UHFFFAOYSA-N,2,1,0.284,70,719,426.425,2.817,6,0.414,0.51,0.999,0.06794428072099239,0.07969810156946062,0.0579895140840244,0.09516996778836269,0.07520046604071003
EOS-2-31164,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)s4)n23)cc1,HXIZAXNUGBNNNT-UHFFFAOYSA-N,2,1,0.484,89,398,473.583,5.053,6,0.358,0.86,1.0,0.3612415187444315,0.214875608251662,0.2643495990679186,0.28584401343293814,0.28157768487423757
EOS-2-31165,Cn1nc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)cc1-c1ccc(F)cc1,BSIHZKOAKFRHMC-UHFFFAOYSA-N,2,1,0.511,95,965,426.415,3.177,5,0.425,0.72,0.997,0.4932492632444658,0.4446062641354259,0.6367880885477349,0.6126207936399151,0.5468161023918854
EOS-2-31166,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)nc2)cn1,VHLNLIPPBBIIKG-UHFFFAOYSA-N,2,1,0.56,4,677,426.415,3.177,5,0.425,0.73,1.0,0.5417551915564389,0.6201682544033994,0.7942395997532725,0.7076365567815777,0.6659499006236721
EOS-2-31167,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)cc2F)cn1,HYUVAXBFMGUSCN-UHFFFAOYSA-N,2,1,0.578,16,214,426.415,3.177,5,0.425,0.78,1.0,0.6363768761565348,0.6292234939346172,0.7901103419916387,0.7047066684942773,0.690104345144267
EOS-2-31168,Cn1cc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)c(-c2ccc(F)nc2)n1,NLGQQBJQGYRJBO-UHFFFAOYSA-N,2,1,0.506,89,250,426.415,3.177,5,0.397,0.72,1.0,0.6055102460420807,0.6435987937769858,0.6766499897196903,0.6361113014872182,0.6404675827564937
EOS-2-31169,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(C#N)cc4)n23)ccc1F,NCGVNMBLKNRNPV-UHFFFAOYSA-N,2,1,0.588,43,250,426.415,3.177,5,0.425,0.65,0.997,0.6879583304776917,0.7258412720169968,0.7794873552189706,0.7528270851895004,0.7365285107257898
EOS-2-31170,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(C#N)cc5F)n34)nc2)cn1,VYXARFPNFBDNCK-UHFFFAOYSA-N,2,1,0.478,4,677,426.415,3.27,5,0.424,0.66,1.0,0.4982780481118498,0.5484116921389898,0.7445428688917826,0.6587451168528545,0.6124944314988692
EOS-2-31171,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)cc1F,UYOKPSONRGSQLX-UHFFFAOYSA-N,2,1,0.583,16,214,426.415,3.177,5,0.425,0.68,0.999,0.8214481529710095,0.6436073607018025,0.7746641765471867,0.6879668974025084,0.7319216469056267
EOS-2-31172,Cn1cnc(-c2ccc(F)nc2)c1COc1cncc2nnc(-c3ccc(C#N)cc3)n12,ISPXGHWICROQNH-UHFFFAOYSA-N,2,1,0.489,89,731,426.415,3.177,5,0.397,0.68,1.0,0.8030206976903571,0.7352049208416147,0.6304913988074841,0.5971232266465629,0.6914600609965047
EOS-2-31173,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)cn1,RGDLIEMQJVLLGN-UHFFFAOYSA-N,2,1,0.455,92,468,426.412,3.48,5,0.41,0.61,1.0,0.3954663833870194,0.4932321293948324,0.5455931738743061,0.45338736207251046,0.4719197621821671
EOS-2-31174,Cn1nc(-c2nccs2)nc1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,MDOKGPSZAMLYEK-UHFFFAOYSA-N,2,1,0.518,36,391,426.412,2.901,5,0.426,0.69,1.0,0.5626841888835583,0.697544719347543,0.13043999725858405,0.2063515180590775,0.39925510588719076
EOS-2-31175,COc1nnc(-c2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)n1C(F)F,OFXDKCJWKUWNSB-UHFFFAOYSA-N,2,1,0.368,61,121,426.412,3.577,5,0.424,0.68,1.0,0.30023644712494,0.30198409978754026,0.31598245493797544,0.31055959152902474,0.3071906483448701
EOS-2-31176,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4sncc4F)n23)ccc1F,JSVNHYZNPNOIFV-UHFFFAOYSA-N,2,1,0.549,16,79,426.412,2.901,5,0.426,0.59,1.0,0.5008052909327668,0.5818655335480776,0.3980364608320197,0.437410047289425,0.4795293331505722
EOS-2-31177,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cc1,RDMLVJRNBSGINE-UHFFFAOYSA-N,2,1,0.375,96,139,426.411,3.841,5,0.318,0.93,1.0,0.35902268521691455,0.3608645740524981,0.6820471523541909,0.5595144267013913,0.49036220958124865
EOS-2-31178,Cc1onc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(C#N)cc3)n12,FQMRCIZBHIVYGU-UHFFFAOYSA-N,2,1,0.608,43,230,426.411,4.345,5,0.412,0.76,1.0,0.9210215201151395,0.8936416284010692,0.7583270509218011,0.752835652114317,0.8314564628880816
EOS-2-31179,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnco6)nn5C)n34)cc2)n1,ONGFZYXLFRRTRR-UHFFFAOYSA-N,2,1,0.304,98,63,426.404,1.432,6,0.406,0.59,1.0,0.05035638407237338,0.06536563635117539,0.021597217462819545,0.018872935371119184,0.039048043314371866
EOS-2-31180,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)on5)n34)cc2)o1,KMKFUCSLNAKUEI-UHFFFAOYSA-N,2,1,0.289,98,424,426.4,2.6,6,0.413,0.67,1.0,0.12788705366321707,0.08656020834761154,0.04859159756013981,0.04720375573983963,0.07756065382770201
EOS-2-31181,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(C#N)nc5)n34)ncn2)o1,JNJBZBBJEKOBRT-UHFFFAOYSA-N,2,1,0.435,31,194,426.4,1.828,5,0.39,0.64,0.239,0.5314491810019876,0.2407648550476321,0.08100027414159414,0.06750736755534234,0.23018041943663906
EOS-2-31182,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cn(C)nn6)no5)n34)cc2)no1,SKKJWTCOHOONBM-UHFFFAOYSA-N,2,1,0.282,98,725,426.4,2.6,6,0.413,0.67,1.0,0.08440134329381126,0.0865687752724282,0.062015968747858266,0.05657597148927421,0.07239051470084298
EOS-2-31183,COc1nc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)cc(-c2cocn2)n1,ALXYNNVFHBLKAU-UHFFFAOYSA-N,2,1,0.518,89,731,426.396,2.696,5,0.398,0.68,1.0,0.7364214241655815,0.6436159276266191,0.30840072647522443,0.2207525186758961,0.4772976492358303
EOS-2-31184,COc1nc(-c2nnc3cncc(OCc4cccc(C#N)c4)n23)ccc1-c1nnco1,WZTLUMSKAHCRCG-UHFFFAOYSA-N,2,1,0.413,49,348,426.396,2.696,5,0.398,0.65,1.0,0.49828661503666644,0.2868377767116716,0.3415118908916455,0.2589610033582345,0.34639932149955455
EOS-2-31185,COc1nc(-c2nnc3cncc(OCc4ccc(C#N)cc4)n23)ccc1-c1ncon1,BZEYBQACCVAJPB-UHFFFAOYSA-N,2,1,0.437,49,896,426.396,2.696,5,0.398,0.59,0.985,0.5314577479268042,0.312461448838325,0.3379052155438284,0.25307552600918376,0.35872498457953533
EOS-2-31186,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)cc1,PHISJDHTCHSQQM-UHFFFAOYSA-N,2,1,0.541,72,22,426.396,3.131,5,0.296,0.72,1.0,0.5684411623603591,0.23026180522239736,0.2717171544102529,0.11714412994311561,0.29689106298403123
EOS-2-31187,c1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)s2)cs1,ASZQFAMNWLWEAS-UHFFFAOYSA-N,2,1,0.536,40,120,473.608,6.284,6,0.285,0.66,1.0,0.5108542937427181,0.5527208553217737,0.5944503461037626,0.5661109588102254,0.55603411349462
EOS-2-31188,c1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)nc2)cs1,XZUOVPMFBVGTPV-UHFFFAOYSA-N,2,1,0.46,6,280,473.608,6.284,6,0.285,0.64,1.0,0.2677763689945857,0.18699883489822494,0.5490199438009732,0.5434942772942225,0.38682235624700156
EOS-2-31189,c1csc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)s5)n34)cc2)n1,QQZHDXBUYYGNSY-UHFFFAOYSA-N,2,1,0.536,40,120,473.608,6.284,6,0.285,0.72,1.0,0.5083099170721678,0.5484202590638064,0.5422520731958056,0.5063652251387842,0.5263368686176411
EOS-2-31190,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc6ccccn56)n34)nc2)cc1F,QVLSWQMQWIJABU-UHFFFAOYSA-N,2,1,0.299,10,934,426.39,3.841,6,0.427,0.8,1.0,0.28407922692070453,0.2921835377972723,0.6655301213076554,0.7824857789048043,0.5060696662326092
EOS-2-31191,N#Cc1ccc(-c2nnc3cncc(-c4cccnc4Oc4ccc(F)cc4F)n23)cc1,ZGZRVLVAMBVCDX-UHFFFAOYSA-N,2,1,0.415,96,3,426.386,4.795,5,0.41,0.79,1.0,0.6451322733191693,0.8080152148584744,0.9461740113768762,0.9409053526146255,0.8350567130422863
EOS-2-31192,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncs5)cn4)n23)c(F)c1F,JLJCFBDYQLHNLX-UHFFFAOYSA-N,2,1,0.425,13,573,426.383,4.519,5,0.393,0.69,1.0,0.6698392844904393,0.7352134877664314,0.9019344116236035,0.887636214104585,0.7986558494962648
EOS-2-31193,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)nc1,KBQMTUGIJOTWSG-UHFFFAOYSA-N,2,1,0.294,98,618,426.379,1.753,6,0.446,0.63,1.0,0.02702008087177027,0.11204680967719827,0.09289116578712905,0.1302686587622507,0.09055667877458706
EOS-2-31194,N#Cc1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(F)nc5)n34)cn2)cn1,KYLFMAUBLUQKNY-UHFFFAOYSA-N,2,1,0.419,7,535,426.375,2.023,5,0.383,0.68,1.0,0.6422109519566856,0.7122027277088616,0.3530943732437804,0.3009303680350901,0.5021096052361045
EOS-2-31195,Fc1cc(-c2nc[nH]n2)ncc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3)n12,RAQIIZFBRQUYJT-UHFFFAOYSA-N,2,1,0.289,98,727,426.375,2.828,6,0.451,0.66,1.0,0.2812007401823042,0.34134911932012885,0.31223014186827497,0.34515283393872936,0.3199832088273593
EOS-2-31196,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nn2)nc1,NEPKFKLUKWQBCC-UHFFFAOYSA-N,2,1,0.301,38,618,426.375,2.623,6,0.418,0.66,1.0,0.04892570762798985,0.11205537660201494,0.1579226920704544,0.20027756836406005,0.12979533616612982
EOS-2-31197,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cn3)n12,JFIVEZBHAIRNBY-UHFFFAOYSA-N,2,1,0.321,98,154,426.375,2.828,6,0.451,0.68,1.0,0.33091460489342744,0.38959803988760194,0.3415204578164622,0.3580203550133644,0.355013364402714
EOS-2-31198,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncnc5)n34)nc2F)ncn1,JRPOOZXEAQJCQV-UHFFFAOYSA-N,2,1,0.371,46,395,426.375,2.023,5,0.383,0.62,1.0,0.7917637584812556,0.6584281406346378,0.41559865670618873,0.3647796586937153,0.5576425536289493
EOS-2-31199,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)cn1,ZRPBDQSJFIRWJL-UHFFFAOYSA-N,2,1,0.438,51,434,426.375,2.023,5,0.383,0.66,1.0,0.797452196559523,0.7664998971969021,0.37578815708313346,0.2978891097251731,0.559407340141183
EOS-2-31200,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cn1,XEEMLMIMWHYCIO-UHFFFAOYSA-N,2,1,0.446,7,535,426.375,2.023,5,0.41,0.7,1.0,0.6879668974025084,0.7305702145157974,0.26435816599273526,0.2589695702830512,0.4854662120485231
EOS-2-31201,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,NYDZGGFYMHBPSM-UHFFFAOYSA-N,2,1,0.382,9,340,426.371,3.697,6,0.415,0.73,1.0,0.3844493180727846,0.4623397985059283,0.5725018847234596,0.5628555273798918,0.495536632170516
EOS-2-31202,Fc1cc(-c2nnc3cncc(-c4cccc(-c5cnco5)n4)n23)ccc1-c1nnco1,JMFOVCLGVCWJTF-UHFFFAOYSA-N,2,1,0.346,32,572,426.371,3.697,6,0.415,0.67,1.0,0.3996641765471866,0.41330272085532177,0.4766037283256802,0.48112706462888083,0.44267442258926737
EOS-2-31203,Fc1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)ccc1-c1conn1,DPDQAIMCWNYHBA-UHFFFAOYSA-N,2,1,0.377,9,340,426.371,3.697,6,0.415,0.67,1.0,0.35193783839353027,0.38020012336371733,0.6041823726954972,0.6126293605647317,0.4872374237543691
EOS-2-31204,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4cncc(-c5nnco5)c4)n23)o1,MYMNTXMKZIQJQJ-UHFFFAOYSA-N,2,1,0.359,42,693,426.371,3.697,6,0.415,0.64,1.0,0.28673497361387157,0.3413576862449455,0.4303766020149407,0.4780601055445137,0.38413234185456785
EOS-2-31205,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,YPNVNXDZAMWMLN-UHFFFAOYSA-N,2,1,0.355,32,572,426.371,3.697,6,0.415,0.65,1.0,0.34756870673702966,0.39423274621341925,0.37954047015283393,0.44052840792269204,0.39046758275649374
EOS-2-31206,Fc1ccc(-c2nnc3cncc(-c4nnn(Cc5cc(F)c(F)cc5F)n4)n23)cc1,CDURKCXNLKHOCD-UHFFFAOYSA-N,2,1,0.389,22,221,426.337,3.05,5,0.324,0.8,1.0,0.3681036255225824,0.5434942772942225,0.7392913439791653,0.8593824960592146,0.6275679357137962
EOS-2-31207,Fc1cc(F)nc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nn2)c1,YOKOJWATZHSWKF-UHFFFAOYSA-N,2,1,0.347,22,315,426.337,3.65,5,0.322,0.67,1.0,0.029333150572270577,0.3019926667123569,0.8900949215269687,0.9032708518950038,0.53117289767665
EOS-2-31208,Fc1ccc(-c2conc2-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cc1,HXFONVDQQKKQLM-UHFFFAOYSA-N,2,1,0.493,96,315,426.333,4.666,5,0.39,0.77,1.0,0.38445788499760125,0.5297186621890206,0.9760383112877802,0.9583047769172778,0.7121299088479199
EOS-2-31209,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)o2)cc1F,NOWCRCYMYMQDTE-UHFFFAOYSA-N,2,1,0.367,45,574,426.333,4.724,5,0.387,0.75,1.0,0.44268727297649235,0.7122112946336783,0.9582876430676445,0.960206634226578,0.7683482112260982
EOS-2-31210,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)no2)cc1F,LLENDCGWRHBESL-UHFFFAOYSA-N,2,1,0.366,96,316,426.333,4.724,5,0.387,0.81,1.0,0.3751113700226167,0.5818741004728942,0.952830511959427,0.9571311082173943,0.7167367726680831
EOS-2-31211,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1C(F)(F)F,SNCHSGIGCHAUFO-UHFFFAOYSA-N,2,1,0.374,96,558,426.333,4.666,5,0.39,0.74,1.0,0.46111472825714483,0.6632855870056884,0.9895997532725653,0.9785826879583305,0.7731456891234323
EOS-2-31212,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)n4)n23)cc1F,QSBXLMDAHXVUSN-UHFFFAOYSA-N,2,1,0.406,46,223,426.322,1.758,5,0.417,0.56,1.0,0.5157374408882187,0.5484288259886231,0.4268213282160236,0.4564114865327942,0.48684977040641486
EOS-2-31213,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)c1F,WIAQWECHDFMXRQ-UHFFFAOYSA-N,2,1,0.402,46,564,426.318,2.628,5,0.391,0.55,0.992,0.757247618394901,0.5622729764923583,0.6191573572750325,0.6062470015763142,0.6362312384346516
EOS-2-31214,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5c(F)ccc(F)c5F)n34)nn2)o1,DWFMZAFUULZSRF-UHFFFAOYSA-N,2,1,0.374,34,706,426.318,3.149,5,0.399,0.59,0.999,0.7275546569803304,0.6632941539305051,0.4733654307449798,0.490148036460832,0.5885905695291618
EOS-2-31215,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)c(F)c1,RFMXSRXGKXZTDB-UHFFFAOYSA-N,2,1,0.404,46,223,426.318,2.628,5,0.391,0.55,0.893,0.6027345624014804,0.5158573778356521,0.5009166609553835,0.5133387019395518,0.533211825783017
EOS-2-31216,Clc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)o2)c1,WYIIRAIJDFDPID-UHFFFAOYSA-N,2,1,0.549,73,71,473.707,5.381,5,0.338,0.72,1.0,0.7364299910903982,0.8828130354328011,0.8460009594955795,0.9114008635460216,0.8441612123912001
EOS-2-31217,COc1cc(-c2nnc3cncc(-c4nc(-c5c(Cl)cccc5Cl)no4)n23)ccc1Cl,AMYUESIEHNABSV-UHFFFAOYSA-N,2,1,0.358,45,730,473.707,5.477,5,0.341,0.76,1.0,0.6422195188815023,0.7212065656911795,0.7988743060790898,0.8903519292714687,0.76316307998081
EOS-2-31218,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)o2)cc1,NOTQDJGBUXQNBR-UHFFFAOYSA-N,2,1,0.568,34,372,473.707,5.381,5,0.338,0.77,1.0,0.7690614077170859,0.917346309368789,0.7794959221437873,0.8959632650263861,0.8404667260640121
EOS-2-31219,COc1cc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)c(Cl)c5)no4)n23)ccc1Cl,NNGIXPCSBFNQOV-UHFFFAOYSA-N,2,1,0.374,45,102,473.707,5.477,5,0.341,0.8,1.0,0.6908282502912755,0.6975532862723597,0.8556301829895141,0.9102700294702214,0.7885704372558426
EOS-2-31220,Clc1ccc(-c2ncc(-c3cncc4nnc(-c5sccc5Cl)n34)cn2)cn1,FSQIZRRPLOFKDB-UHFFFAOYSA-N,2,1,0.303,50,261,426.292,4.679,5,0.39,0.76,1.0,0.19986635597285998,0.3020012336371736,0.535381399492838,0.7076451237063943,0.43622352820231647
EOS-2-31221,Clc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nc2)nn1,SWMQLXVZJYBXCJ-UHFFFAOYSA-N,2,1,0.566,4,391,473.711,4.306,5,0.375,0.68,1.0,0.397565279967103,0.6927643752998424,0.7344767322321979,0.8257830169282434,0.6626473511068467
EOS-2-31222,Clc1cnc(-c2cn[nH]c2)cc1-c1nnc2cncc(OCc3c(Cl)cncc3Cl)n12,WGDXFCMMWQPKBN-UHFFFAOYSA-N,2,1,0.433,73,980,473.711,4.511,5,0.4,0.66,1.0,0.6727006373792064,0.7533325337536838,0.814988691659242,0.8834726886436844,0.7811236378589542
EOS-2-31223,Cn1nc(-c2cc(Cl)ccc2F)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1Cl,FDZQZPHGGWKGKX-UHFFFAOYSA-N,2,1,0.464,45,533,473.726,5.958,5,0.324,0.73,0.999,0.2951648276334727,0.6106075663079981,0.9251507778767734,0.97490747721198,0.701457662257556
EOS-2-31224,Fc1cc(Cn2cc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)ccc1Cl,YISLXEIYZYMSFW-UHFFFAOYSA-N,2,1,0.411,45,102,473.726,5.802,5,0.331,0.75,1.0,0.2895192241792886,0.5206976903570695,0.9703413062846961,0.9896939894455486,0.6925630525666506
EOS-2-31225,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n(C)n2)nn1,DNMCWRZDPXGKQS-UHFFFAOYSA-N,2,1,0.393,22,844,426.271,3.294,5,0.44,0.66,1.0,0.11960283736549929,0.3512610513330135,0.3415290247412789,0.5197381947776026,0.3330327770543486
EOS-2-31226,Fc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)c1,MIUIORSITODWID-UHFFFAOYSA-N,2,1,0.363,45,575,426.242,4.485,5,0.425,0.79,1.0,0.07188506613665958,0.4039133712562539,0.9120176821328216,0.9520080871770269,0.5849560516756904
EOS-2-31227,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cnc1Cl,DNZUPFFYOJNGAM-UHFFFAOYSA-N,2,1,0.425,45,575,426.242,4.485,5,0.398,0.78,0.998,0.05361181550270715,0.44461483106024263,0.897488177643753,0.9440922486464258,0.5849517682132821
EOS-2-31228,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,IPOXQSBLSMRUKM-UHFFFAOYSA-N,2,1,0.423,45,730,426.242,4.485,5,0.425,0.8,1.0,0.18872078678637516,0.5711911452265095,0.8570694263587143,0.9366218902062915,0.6384008121444726
EOS-2-31229,Fc1cc(Cl)cc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)n4)n23)c1,VZTRWFNOVBWSEH-UHFFFAOYSA-N,2,1,0.417,45,730,426.242,4.485,5,0.425,0.69,1.0,0.04003323966828867,0.297246590363923,0.8131725035981084,0.9201134260845727,0.5176414399287232
EOS-2-31230,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c(Cl)c1,ICGOSFDZTHFTPH-UHFFFAOYSA-N,2,1,0.429,45,730,426.242,4.485,5,0.425,0.83,1.0,0.18015386196970734,0.5527294222465904,0.8183983277362757,0.9263587142759235,0.6194100815571242
EOS-2-31231,Fc1cc(Cl)ccc1-n1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,ABAZKXJUFHDUIU-UHFFFAOYSA-N,2,1,0.429,45,730,426.242,4.485,5,0.425,0.83,1.0,0.1770783359605236,0.5576468370913576,0.8202573504214927,0.9252878486738401,0.6200675930368035
EOS-2-31232,Fc1cc(-n2ncnc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,XAUZVNMRMDWTRW-UHFFFAOYSA-N,2,1,0.417,45,730,426.242,4.485,5,0.425,0.76,0.998,0.16082687958330477,0.507221917620451,0.8380251524912617,0.9339832773627579,0.6100143067644439
EOS-2-31233,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)c(Cl)c4)n23)cc1Cl,NKAZCBUJESPVHY-UHFFFAOYSA-N,2,1,0.364,45,102,426.242,4.689,5,0.453,0.65,1.0,0.39097731478308545,0.5765968747858269,0.9204732369268728,0.9588701939551778,0.7117294051127407
EOS-2-31234,Fc1ccc2nccc(Oc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)c2c1,OCOYDWQTAPNFKK-UHFFFAOYSA-N,2,1,0.46,13,236,426.238,5.578,5,0.377,0.82,1.0,0.9718576519772463,0.984939346172298,0.9647471043794119,0.9817781509149476,0.9758305633609758
EOS-2-31235,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)cnc1Cl,IARUVPBNBVCHRJ-UHFFFAOYSA-N,2,1,0.449,45,140,426.238,5.559,5,0.354,0.73,1.0,0.41503323966828864,0.716734630936879,0.9528390788842437,0.9741792886025632,0.7646965595229935
EOS-2-31236,Fc1cc(-c2ncoc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,JEEMGNKZZPYWNR-UHFFFAOYSA-N,2,1,0.448,45,102,426.238,5.559,5,0.378,0.79,1.0,0.5108628606675348,0.7918922623535056,0.9436981701048591,0.9745819340689467,0.8052588067987115
EOS-2-31237,Fc1ccc(Cl)c(-c2nnc3cncc(-c4ccc(-c5ccno5)c(Cl)c4)n23)c1,RJOXFLCXWNCKLM-UHFFFAOYSA-N,2,1,0.37,45,46,426.238,5.559,5,0.378,0.77,1.0,0.3590312521417312,0.5025101089712837,0.9634020971831951,0.9831916935096977,0.702033787951477
EOS-2-31238,Fc1ccc(-c2nc(-c3nnc4cncc(Oc5cc(F)cc(F)c5F)n34)cnc2Cl)nc1,JBQANUBMQDQIOC-UHFFFAOYSA-N,2,1,0.38,13,971,473.777,4.645,5,0.277,0.64,0.987,0.7777911041052704,0.8513210198067301,0.9051641422794874,0.9339918442875745,0.8670670276197656
EOS-2-31239,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)nc4)n23)c(Cl)c1,WVSGZSQWAHISIN-UHFFFAOYSA-N,2,1,0.464,13,251,426.223,4.335,5,0.418,0.76,0.999,0.6481820985539031,0.8196405318346927,0.6544445205948872,0.7477725995476664,0.7175099376327874
EOS-2-31240,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)cn1,BGTKCTOKXGPTRG-UHFFFAOYSA-N,2,1,0.539,27,679,473.802,4.488,5,0.368,0.79,1.0,0.7183452128024125,0.8157939825920087,0.8949780686724693,0.8436707559454458,0.8181970050030841
EOS-2-31241,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(Cl)nc5)o4)n23)cn1,VNHJWNPHMYZPNF-UHFFFAOYSA-N,2,1,0.548,27,69,473.802,4.488,5,0.344,0.74,1.0,0.8682492632444657,0.9135340278253719,0.9349256390925913,0.8659276266191488,0.8956591391953943
EOS-2-31242,FC(F)(F)c1ccc(Cl)c(-c2nnc3cncc(OCc4noc(-c5ccccn5)n4)n23)c1,GGPNUYBLWVUEML-UHFFFAOYSA-N,2,1,0.452,27,679,473.802,4.488,5,0.368,0.77,1.0,0.672709204304023,0.7122198615584949,0.8995356726749366,0.867469673086149,0.7879836029059009
EOS-2-31243,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)nc5)n4)n23)cc1,VHHNYXUARZANGW-UHFFFAOYSA-N,2,1,0.494,27,679,473.802,4.488,5,0.344,0.78,1.0,0.8660732643410322,0.8118360633267082,0.9325783016928243,0.8972654375985196,0.876938266739771
EOS-2-31244,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)nc5)o4)n23)cc1,QLTVEIGHLVMOGM-UHFFFAOYSA-N,2,1,0.489,27,676,473.802,4.488,5,0.344,0.76,1.0,0.8954064149133028,0.9074343773559044,0.9367332602289082,0.9032794188198204,0.910713367829484
EOS-2-31245,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)nn5)nn4)n23)cc1,OAZRXGJCSXSXTQ-UHFFFAOYSA-N,2,1,0.489,36,51,473.806,3.413,5,0.382,0.64,1.0,0.48593310945103146,0.6633027208553218,0.8617041326845316,0.8114762524844082,0.7056040538688233
EOS-2-31246,FC(F)(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1,WZCLRIUGNGXSKF-UHFFFAOYSA-N,2,1,0.432,27,52,473.806,3.549,5,0.381,0.68,1.0,0.4521537248989103,0.629232060859434,0.8540967034473306,0.747781166472483,0.6708159139195394
EOS-2-31247,Fc1cc(-c2cnnn2C(F)F)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,RDRUYBKOGDJSOP-UHFFFAOYSA-N,2,1,0.429,51,196,473.806,3.606,5,0.368,0.63,1.0,0.5684497292851758,0.677994996915907,0.6792886025632239,0.687975464327325,0.6534271982729078
EOS-2-31248,Fc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cncn1C(F)F,PKNSKTRKIBZOKM-UHFFFAOYSA-N,2,1,0.369,7,94,473.806,3.606,5,0.344,0.6,0.7,0.5793297238023439,0.6245202522102666,0.7539322184908506,0.7319923240353643,0.6724436296347064
EOS-2-31249,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)nc1Cl,WVOSETFJLFLSRO-UHFFFAOYSA-N,2,1,0.389,51,468,473.806,3.606,5,0.344,0.68,1.0,0.5365208004934549,0.6975618531971763,0.7033273935987938,0.6647076965252553,0.6505294359536701
EOS-2-31250,Fc1cc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4Cl)n23)cnc1Cl,ZKTBEFDDBNSWNJ-UHFFFAOYSA-N,2,1,0.455,90,861,426.185,4.901,4,0.435,0.72,0.898,0.6789716263450072,0.9028168048797204,0.9918614214241656,0.9965475292988829,0.892549345486944
EOS-2-31251,Clc1cnc(-c2nnco2)nc1COc1cncc2nnc(-c3ccc(-c4ccco4)cn3)n12,QBMHFCHRTJGPQW-UHFFFAOYSA-N,2,1,0.384,6,843,473.84,3.519,6,0.35,0.68,0.999,0.5821482420670276,0.5766054417106435,0.13653108080323487,0.18638201631142484,0.3704166952230828
EOS-2-31252,Clc1cncc(COc2cncc3nnc(-c4cncc(-c5cnc(-c6nnco6)o5)c4)n23)c1,QHMAHSDCPQTFLF-UHFFFAOYSA-N,2,1,0.421,2,419,473.84,3.519,6,0.35,0.58,1.0,0.6541703790007539,0.5667363443218423,0.3122387087930916,0.33244808443561097,0.4663983791378247
EOS-2-31253,Clc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)nc1,PQAVNJMWVNZLIG-UHFFFAOYSA-N,2,1,0.477,40,8,473.84,3.519,6,0.35,0.69,1.0,0.6727177712288397,0.6682886710986224,0.17049037077650606,0.22076108560071278,0.4330644746761702
EOS-2-31254,Clc1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)no2)ccn1,QQLOLLGGDIBTCQ-UHFFFAOYSA-N,2,1,0.421,56,893,473.844,2.649,6,0.354,0.7,1.0,0.5391422794873553,0.5111884038105682,0.14263929819751903,0.1782006031115071,0.3427926461517374
EOS-2-31255,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6n[nH]c(=O)o6)nn5)n34)c(Cl)c2)n1,WDXKGDAALNEBRG-UHFFFAOYSA-N,2,1,0.306,98,63,473.844,2.041,6,0.401,0.61,0.062,0.3381879240627784,0.36087314097731477,0.11333184839969844,0.15936193543965457,0.24293871221986157
EOS-2-31256,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)no2)cn1,WXFATCHITHQHEE-UHFFFAOYSA-N,2,1,0.441,56,893,473.844,2.649,6,0.354,0.62,1.0,0.5521040367349737,0.5297272291138373,0.13975224453430196,0.17820917003632375,0.3499481701048592
EOS-2-31257,Clc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)no2)n1,LNKIETQBIOENRQ-UHFFFAOYSA-N,2,1,0.432,56,893,473.844,2.649,6,0.354,0.71,1.0,0.5655198409978754,0.5484373929134397,0.09761154136111301,0.13925536289493523,0.3377060345418409
EOS-2-31258,Cn1nnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)no1,BQGNWPXZTRLSMD-UHFFFAOYSA-N,2,1,0.394,67,622,473.844,2.872,6,0.363,0.75,1.0,0.4635820026043451,0.4932406963196491,0.10011308340758002,0.14162840106915223,0.29964104585018164
EOS-2-31259,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)no2)cn1,OQGQZLVLHOCZJY-UHFFFAOYSA-N,2,1,0.39,55,843,473.844,2.649,6,0.354,0.57,1.0,0.4588873278048112,0.5111969707353848,0.12484579535329998,0.15675759029538758,0.3129219210472209
EOS-2-31260,COc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2C#N)cn1,DBZMIFPZQAIKOK-UHFFFAOYSA-N,2,1,0.392,13,145,473.855,4.713,5,0.36,0.64,1.0,0.7690699746419025,0.808023781783291,0.8510897128366801,0.8093345212802412,0.8093794976355286
EOS-2-31261,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(Cl)s5)nn4)n23)cn1,XCSZLPRKNNFLHF-UHFFFAOYSA-N,2,1,0.467,53,52,473.856,3.665,5,0.364,0.67,0.966,0.6249143307518333,0.7576673977109177,0.3492735247755466,0.3580289219381811,0.5224710437941197
EOS-2-31262,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2F)s1,NIDNFVHGTMOKGC-UHFFFAOYSA-N,2,1,0.43,47,379,473.856,3.023,5,0.375,0.59,1.0,0.7364385580152149,0.6106161332328147,0.4014032622849702,0.44374957165375917,0.5480518812966897
EOS-2-31263,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5nnc6ncccn56)c4)n23)ccc1Cl,YGGDPIDFIZLVET-UHFFFAOYSA-N,2,1,0.522,59,391,473.859,3.663,6,0.373,0.68,1.0,0.9154958536083887,0.8828216023576178,0.5043519978068672,0.6093053937358646,0.7279937118771846
EOS-2-31264,Cc1noc(-c2cc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)ccc2Cl)n1,AUSGLFUYFYXEPT-UHFFFAOYSA-N,2,1,0.34,10,118,473.859,4.19,6,0.374,0.68,1.0,0.14424988006305256,0.3754540470152834,0.4117435405386882,0.5262490576382701,0.36442413131382356
EOS-2-31265,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)o4)n23)c(F)c1,SRXYNFYYHSGBAJ-UHFFFAOYSA-N,2,1,0.321,98,314,473.859,4.096,6,0.352,0.67,0.997,0.30289219381810706,0.462348365430745,0.45251353574121034,0.5197467617024193,0.4343752141731204
EOS-2-31266,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)cn1,VAHMBTJGTLANST-UHFFFAOYSA-N,2,1,0.5,37,132,473.859,3.324,5,0.364,0.7,1.0,0.9017288054280036,0.9417620450962922,0.5621187718456583,0.5943218422315126,0.7499828661503667
EOS-2-31267,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)c(F)c2)n1,ZBEPEACCPIDIJR-UHFFFAOYSA-N,2,1,0.345,10,664,473.859,4.19,6,0.35,0.71,1.0,0.1222585840586663,0.2712631073949695,0.46648619011719555,0.5165427318209855,0.3441376533479542
EOS-2-31268,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5nnc6ccccn56)n34)nc2)cc1Cl,WKQZIUSMOYTHAL-UHFFFAOYSA-N,2,1,0.374,6,119,473.859,3.663,6,0.349,0.67,1.0,0.5365293674182715,0.552737989171407,0.45935850866972794,0.5564903022411075,0.5262790418751285
EOS-2-31269,Cc1c(F)ccnc1-n1cc(-c2cncc3nnc(-c4conc4-c4ccccc4Cl)n23)nn1,LZFLCTYOWNSMGD-UHFFFAOYSA-N,2,1,0.327,10,872,473.859,4.19,6,0.374,0.5,1.0,0.023653279418819822,0.16202624905763827,0.35310294016859706,0.5095264203961346,0.2620772222602974
EOS-2-31270,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5nnc6ccccn56)c4)n23)cnc1Cl,AEBATQGEDLFJHU-UHFFFAOYSA-N,2,1,0.447,16,89,473.859,3.663,6,0.349,0.63,1.0,0.7543177301076006,0.5964207388115962,0.5152319923240354,0.585052429579878,0.6127557227057776
EOS-2-31271,Cc1nc(-c2ccc(F)cn2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4Cl)n23)[nH]1,BDRCZRZGNNGEIW-UHFFFAOYSA-N,2,1,0.258,10,693,473.859,4.394,6,0.399,0.6,0.958,0.21912480296072923,0.28142348022753755,0.48039030909464736,0.572467617024193,0.38835155232677676
EOS-2-31272,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncc(Cl)cn6)c5)n34)c(F)c2)o1,LQXBLVHSCNZBRO-UHFFFAOYSA-N,2,1,0.295,42,151,473.859,4.19,6,0.374,0.69,1.0,0.08921595504077856,0.3020098005619903,0.48372284284833117,0.5165512987458022,0.34787497429922554
EOS-2-31273,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)cc6Cl)n5)n34)nc2)n[nH]1,QWHXJMLTOBJYHA-UHFFFAOYSA-N,2,1,0.282,22,952,473.863,3.32,6,0.413,0.56,0.216,0.04297169488040573,0.21989582619422932,0.24299225549996573,0.37774998286615036,0.2209024398601878
EOS-2-31274,Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1-c1ccc(-c2nc[nH]n2)nn1,VQXKQAQLCUUVKS-UHFFFAOYSA-N,2,1,0.34,22,844,473.863,3.226,6,0.413,0.54,0.99,0.1743454869440066,0.4180059625796724,0.30121307655404017,0.4312418614214242,0.33120159687478584
EOS-2-31275,Fc1cc(Cl)ccc1Cn1nnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,IVKGGTARNVKVKH-UHFFFAOYSA-N,2,1,0.305,61,221,473.863,3.071,6,0.404,0.67,1.0,0.24934891371393325,0.38456925502021794,0.2643667329175519,0.42487663628264,0.3307903844835858
EOS-2-31276,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnnn4-c4cccc(Cl)c4)n23)c(F)c1,LBJZVVGMGFFSNA-UHFFFAOYSA-N,2,1,0.326,22,745,473.863,3.022,6,0.383,0.67,1.0,0.022625248440819683,0.30201836748680694,0.25723048454526765,0.44053697484750876,0.25560276883010075
EOS-2-31277,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)ccc2F)cc1F,TWLHLEFLBJUJBV-UHFFFAOYSA-N,2,1,0.542,57,13,473.867,5.565,5,0.334,0.76,1.0,0.9312418614214242,0.9509372215749434,0.9602923034747447,0.9683280789527791,0.9526998663559728
EOS-2-31278,Fc1ccc(-c2nnc3cncc(OCc4csc(-c5cc(F)c(Cl)cc5F)n4)n23)cc1,POVBBKCWGUYKMS-UHFFFAOYSA-N,2,1,0.58,34,929,473.867,5.565,5,0.312,0.73,1.0,0.9470307038585429,0.9632735933109451,0.9430984853676924,0.9577479268041944,0.9527876773353436
EOS-2-31279,Fc1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(Cl)c(F)c5)n4)n23)c(F)c1,PZLBUSCELHWKRH-UHFFFAOYSA-N,2,1,0.541,34,146,473.867,5.565,5,0.334,0.75,1.0,0.8880645603454184,0.9487783565211432,0.9425073675553424,0.9588787608799945,0.9345572613254746
EOS-2-31280,Fc1ccc(-c2nnc3cncc(-c4ccnc5c4cnn5Cc4ccc(Cl)c(F)c4)n23)cc1,HSFPRMHSFSYTDL-UHFFFAOYSA-N,2,1,0.433,45,533,473.874,5.183,6,0.352,0.77,1.0,0.43807826742512507,0.5711997121513261,0.8807912411760674,0.9330580494825578,0.7057818175587691
EOS-2-31281,OCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2F)o1,RFVAKUPHGCAQSP-UHFFFAOYSA-N,2,1,0.414,58,237,473.877,3.204,5,0.355,0.51,0.875,0.6306284696045508,0.5667449112466589,0.18356349804674113,0.24702727708861627,0.4069910389966418
EOS-2-31282,O=[N+]([O-])c1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cc1,KQXMWTMEKKBKPG-UHFFFAOYSA-N,2,1,0.659,91,613,473.88,4.431,5,0.251,0.87,1.0,0.9519052840792269,0.6584367075594545,0.5389452402165719,0.38373826331300115,0.6332563737920637
EOS-2-31283,COc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nn2C)cnc1C#N,HOFAUKQKRBMOLB-UHFFFAOYSA-N,2,1,0.396,95,694,473.884,3.094,5,0.365,0.63,0.976,0.4290315948187239,0.40849667603317114,0.44524021657185936,0.3744345829620999,0.41430076759646356
EOS-2-31284,C#Cc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(OC)c5)n34)n(C)n2)nn1,OCZCVSCYVGSEON-UHFFFAOYSA-N,2,1,0.443,36,404,473.884,2.599,5,0.343,0.67,0.979,0.5108714275923515,0.7028219450346104,0.13976081145911864,0.14886745253923653,0.3755804091563293
EOS-2-31285,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cn1,LSUQMKXITZIDPT-UHFFFAOYSA-N,2,1,0.484,87,468,473.896,4.781,5,0.338,0.69,1.0,0.5738725926941265,0.7533411006785005,0.7470958124871496,0.7159122061544788,0.6975554280035638
EOS-2-31286,FCCn1cncc1-c1cc(-c2nnc3cncc(OCc4sncc4Cl)n23)ccc1F,WQDZBTHUHBRRQS-UHFFFAOYSA-N,2,1,0.484,26,911,473.896,4.452,5,0.347,0.71,0.999,0.559805702145158,0.5435028442190392,0.5689723116989925,0.644652525529436,0.5792333458981564
EOS-2-31287,FC(F)n1cnc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ccn2)c1,WLLGXHKMHAQIGP-UHFFFAOYSA-N,2,1,0.5,75,359,473.896,4.781,5,0.338,0.58,0.999,0.642228085806319,0.6539219381810705,0.8089747104379412,0.7870519498320883,0.7230441710643547
EOS-2-31288,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1-c1cnc(CF)s1,QDZPNOWIRYBEDN-UHFFFAOYSA-N,2,1,0.553,95,998,473.896,4.489,5,0.361,0.63,0.993,0.42419128229730657,0.4577393598793777,0.5320231649647043,0.5971317935713796,0.502771400178192
EOS-2-31289,FC(F)n1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cn1,UJWZIVMHYCCSFC-UHFFFAOYSA-N,2,1,0.516,75,329,473.896,4.781,5,0.338,0.73,1.0,0.5545113426084572,0.6633112877801385,0.7539407854156672,0.7237937769858132,0.6738892981975191
EOS-2-31290,Cn1nc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1CC#N,CDBFIOAHCACVFS-UHFFFAOYSA-N,2,1,0.6,43,372,473.899,4.629,5,0.357,0.7,1.0,0.6055188129668974,0.8636488246179151,0.6899801247344254,0.7804382838736207,0.7348965115482147
EOS-2-31291,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4cccc(-c5nncs5)n4)n23)c1,XKBBQVUKTMGXEE-UHFFFAOYSA-N,2,1,0.273,98,219,473.913,3.216,6,0.379,0.58,0.996,0.10395963265026387,0.3363888698512782,0.09066376533479542,0.18639058323624152,0.17935071276814474
EOS-2-31292,Cn1ncc(-c2nnc(-c3cccc(-c4nnc5cncc(-c6ncc(Cl)cn6)n45)c3)s2)n1,HHKVFUYKEHALGB-UHFFFAOYSA-N,2,1,0.309,98,63,473.913,3.216,6,0.379,0.57,0.999,0.11961140429031594,0.21488417517647865,0.045344733054622714,0.08754540470152834,0.11684642930573641
EOS-2-31293,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ncc(Cl)cn5)cs4)n23)cc1,RFEQUYCMCSXNMM-UHFFFAOYSA-N,2,1,0.318,98,746,473.913,3.216,6,0.379,0.7,1.0,0.13084264272496746,0.3020269344116236,0.04860016448495648,0.10136385443081351,0.14570839901309024
EOS-2-31294,COc1cc(-c2nnc3cncc(OCC4CCc5ccccc54)n23)ccc1-c1cc(Cl)no1,CWPXHMJVHUSYOQ-UHFFFAOYSA-N,2,1,0.561,91,955,473.92,5.217,6,0.334,0.52,1.0,0.8456668494277294,0.7533496676033171,0.7539493523404839,0.7290967034473306,0.7705156432047153
EOS-2-31295,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)nn1,VPTPAKUADZFETM-UHFFFAOYSA-N,2,1,0.302,3,783,473.924,5.56,6,0.335,0.68,1.0,0.062487149612774996,0.27127167431978616,0.7942481666780893,0.8691916249742992,0.4992996538962374
EOS-2-31296,CCOc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cncc(Cl)c1,RQGSTUJBYDQPRP-UHFFFAOYSA-N,2,1,0.449,49,234,473.924,4.317,5,0.328,0.77,0.999,0.6908368172160921,0.615662051949832,0.42682989514084024,0.3964001781920362,0.5324322356247001
EOS-2-31297,CCOc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)c1,LRNMRSMAJNWKOK-UHFFFAOYSA-N,2,1,0.533,35,619,473.924,4.317,5,0.328,0.74,1.0,0.7719912960043863,0.8413919539442122,0.6041909396203139,0.5465355356041396,0.691027431293263
EOS-2-31298,COc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cnc(C)nc4)nc3)n12,VSNATSBZVRGPQD-UHFFFAOYSA-N,2,1,0.51,84,282,473.924,4.235,5,0.346,0.77,1.0,0.8003049825234734,0.8118446302515249,0.5725104516482763,0.459666917963128,0.6610817455966007
EOS-2-31299,CCOc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccccn1,SZHPVYXINDJYPS-UHFFFAOYSA-N,2,1,0.457,49,501,473.924,4.317,5,0.328,0.75,0.98,0.6908453841409088,0.6010811459118635,0.34928209170036323,0.32904701528339386,0.4925639092591323
EOS-2-31300,CCOc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cncnc1,PGIIWQXHEGEMMH-UHFFFAOYSA-N,2,1,0.511,35,215,473.924,4.317,5,0.307,0.64,1.0,0.7863151942978548,0.8118531971763416,0.6400263861284353,0.5595229936262079,0.6994294428072099
EOS-2-31301,COc1nc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)ccc1-c1ccc(Cl)nc1,BSHKUUZAJUGSQJ-UHFFFAOYSA-N,2,1,0.406,49,769,473.924,4.235,5,0.324,0.7,0.999,0.6278613528887671,0.5667534781714756,0.3795490370776506,0.30428860256322393,0.4696131176752793
EOS-2-31302,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C6COC6)c5)cc4)n23)cn1,DZAAZXLCQDHALB-UHFFFAOYSA-N,2,1,0.54,15,519,473.924,3.896,6,0.331,0.71,1.0,0.4785998218079638,0.4797477897333973,0.49065348502501543,0.519755328627236,0.4921891062984032
EOS-2-31303,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc5c(c4)COC5)n23)cc1Cl,RMBBITQZXYERQO-UHFFFAOYSA-N,2,1,0.573,91,309,473.924,3.892,6,0.369,0.63,0.871,0.5033068329792337,0.5207062572818861,0.5490285107257898,0.5465441025289562,0.5298964258789666
EOS-2-31304,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cccc(C)n1,YGKWHJLFLBHNEX-UHFFFAOYSA-N,2,1,0.433,49,501,473.924,4.235,5,0.324,0.58,1.0,0.6908539510657254,0.5576554040161743,0.38323281474881776,0.3009389349599068,0.48317027619765607
EOS-2-31305,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccc(C)cn1,LBPOMAZUPBKRBF-UHFFFAOYSA-N,2,1,0.442,49,501,473.924,4.235,5,0.324,0.66,1.0,0.6819272154067576,0.5576639709409911,0.4233088890411898,0.33882187649921186,0.5004304879720376
EOS-2-31306,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccc(C)cn1,UDFXDNSIWMOKLC-UHFFFAOYSA-N,2,1,0.442,49,501,473.924,4.235,5,0.346,0.67,1.0,0.6604927695154548,0.5576725378658077,0.40500137070797065,0.34191453635802893,0.49127030361181556
EOS-2-31307,COc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ccc(C)nc4)nc(Cl)n3)n12,LGNINTGJVXFZTJ-UHFFFAOYSA-N,2,1,0.5,44,54,473.924,4.235,5,0.324,0.74,1.0,0.6111301487218148,0.5818826673977109,0.4416935096977589,0.3419231032828456,0.49415735727503257
EOS-2-31308,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncccc1C,CZRNWPBMGJKJRH-UHFFFAOYSA-N,2,1,0.455,49,501,473.924,4.235,5,0.346,0.64,0.777,0.6727263381536563,0.5667620450962922,0.304956822698924,0.2563052566650675,0.45018761565348503
EOS-2-31309,CCOc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cncc(Cl)c1,NSHHTRFWYDSPSP-UHFFFAOYSA-N,2,1,0.458,18,393,473.924,4.317,5,0.328,0.75,0.984,0.6789801932698238,0.6156706188746488,0.4559831402919608,0.41528168048797204,0.5414789082311013
EOS-2-31310,CCCOc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cc1,MDINYSWBPCIQOY-UHFFFAOYSA-N,2,1,0.43,51,196,473.924,4.665,5,0.32,0.81,1.0,0.645140840243986,0.6730861489959564,0.4268384620656569,0.38374683023781786,0.5322030703858543
EOS-2-31311,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccc(C)nn1,PPTCLMBSKMTSJV-UHFFFAOYSA-N,2,1,0.511,72,925,473.924,4.235,5,0.324,0.68,1.0,0.7516277157151668,0.735222054691248,0.5490370776506065,0.44718490850524295,0.6207679391405662
EOS-2-31312,N#Cc1cc(Cl)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)c1,MEXCAMFUGYEQRZ-UHFFFAOYSA-N,2,1,0.349,93,68,473.927,5.836,6,0.321,0.74,1.0,0.04444520594887259,0.31247001576314165,0.9242426838462066,0.9465081214447262,0.5569165067507367
EOS-2-31313,CCCc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cn1,GEXOHSVSAOISQV-UHFFFAOYSA-N,2,1,0.455,65,279,473.928,3.661,5,0.332,0.64,0.999,0.6451494071688026,0.8236070180248098,0.08830786101021178,0.10355698718388047,0.41515531834692615
EOS-2-31314,CN(C)Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,MCRAYZOJDCWRAD-UHFFFAOYSA-N,2,1,0.367,18,565,473.928,3.332,5,0.329,0.68,1.0,0.3727126310739497,0.33639743677609485,0.30496538962374065,0.2385288876704818,0.31315108628606675
EOS-2-31315,CN(C)Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cn1,WZNYNFJPFAPUKW-UHFFFAOYSA-N,2,1,0.441,55,282,473.928,3.332,5,0.351,0.7,1.0,0.4883746830237818,0.479756356658214,0.29394832430950585,0.2354961962853814,0.37439389006922075
EOS-2-31316,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)s1,XQFWABGGUYTBFD-UHFFFAOYSA-N,2,1,0.495,37,639,473.946,4.198,5,0.384,0.63,1.0,0.8057792474813241,0.7167431978616956,0.44170207662257555,0.4901566033856487,0.613595281337811
EOS-2-31317,N=c1[nH]nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccc2F)s1,AMKKZOKSWUEHSM-UHFFFAOYSA-N,2,1,0.489,37,639,473.946,4.198,5,0.384,0.6,1.0,0.8241124665889932,0.7489291343979165,0.4417106435473922,0.49636762387773287,0.6277799671030087
EOS-2-31318,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)nc2F)s1,TVHKHXPWQRWGCA-UHFFFAOYSA-N,2,1,0.444,31,237,473.946,4.489,5,0.335,0.58,1.0,0.6167928860256322,0.6879240627784251,0.2143358919882119,0.29465081214447264,0.45342591323418546
EOS-2-31319,Clc1ccc(-c2nnc3ccccn23)cc1-c1nnc2cncc(OCCc3ccsc3)n12,WWVGOBLXOKPYGY-UHFFFAOYSA-N,2,1,0.552,35,619,473.949,4.837,6,0.344,0.74,1.0,0.80031354944829,0.8856572544719348,0.47661229525049686,0.5879823178671784,0.687641354259475
EOS-2-31320,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc6ccccc6s5)n34)c(Cl)c2)cn1,IEGFEFYSAMNQGB-UHFFFAOYSA-N,2,1,0.473,1,891,473.949,5.034,6,0.349,0.81,1.0,0.4355681584538414,0.6388612843533685,0.5188386676718525,0.5724761839490097,0.5414360736070181
EOS-2-31321,Cc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)c(-c6ccccc6)c5)n34)c2)c1,FRHYLSVTJZJFCR-UHFFFAOYSA-N,2,1,0.338,21,107,473.967,7.149,6,0.273,0.73,1.0,0.31339524364334176,0.5112055376602015,0.9389777945308752,0.9552378178329107,0.6797040984168322
EOS-2-31322,Clc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)s2)ccn1,MSSMLEZJWOLVTP-UHFFFAOYSA-N,2,1,0.296,30,541,473.974,5.754,6,0.303,0.69,0.996,0.05036495099719005,0.1464515797409362,0.3306061956000274,0.5063737920636009,0.25844912960043864
EOS-2-31323,Clc1cccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c1,UNFYECJJWOURLV-UHFFFAOYSA-N,2,1,0.377,32,20,473.974,5.754,6,0.324,0.76,1.0,0.20251353574121034,0.3269395517784936,0.452522102666027,0.60008738263313,0.3955156432047152
EOS-2-31324,Clc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)nc5)n34)cc2)n1,HGRMLUHQXZUIGW-UHFFFAOYSA-N,2,1,0.366,69,57,473.974,5.754,6,0.324,0.66,1.0,0.21350490028099514,0.34653210883421287,0.5817027619765609,0.6329158385306011,0.4436639024055925
EOS-2-31325,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)s2)nn1,LAHVFBDCTSDHIX-UHFFFAOYSA-N,2,1,0.338,38,126,473.974,5.754,6,0.324,0.76,1.0,0.16083544650812145,0.3608817079021315,0.4837314097731478,0.5628640943047084,0.39207816462202727
EOS-2-31326,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)s2)c1,PQRJCWCXCOIXOJ-UHFFFAOYSA-N,2,1,0.385,3,641,473.974,5.754,6,0.324,0.74,1.0,0.09648927421012954,0.38020869028853405,0.40141182920978685,0.5530121307655405,0.3577804811184977
EOS-2-31327,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)s5)n34)nc2)nc1,HCLJKXVIPWHLBK-UHFFFAOYSA-N,2,1,0.309,32,687,473.974,5.754,6,0.324,0.55,1.0,0.14425844698786924,0.25573127270235074,0.5621273387704749,0.647513878418203,0.4024077342197245
EOS-2-31328,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)s2)s1,PPMFGJRYTZJMLP-UHFFFAOYSA-N,2,1,0.316,64,176,473.974,5.754,6,0.324,0.56,0.997,0.19415221712014255,0.2660801178808855,0.24654752929888288,0.39951853882530325,0.2765746007813035
EOS-2-31329,Clc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)s5)n34)cc2)n1,LVBFKYDVRXOEGL-UHFFFAOYSA-N,2,1,0.32,32,126,473.974,5.754,6,0.303,0.69,1.0,0.1689654581591392,0.37051093139606606,0.47001576314166266,0.5299842368583373,0.38486909738880126
EOS-2-31330,Clc1ccccc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4csnn4)s3)n12,RNAIHZVDEISHBL-UHFFFAOYSA-N,2,1,0.354,76,653,473.974,5.754,6,0.324,0.7,0.965,0.08440991021862793,0.2606572544719348,0.4700243300664793,0.6298574463710507,0.3612372352820232
EOS-2-31331,Clc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)c1,DOCZOYLGZHNSIP-UHFFFAOYSA-N,2,1,0.375,76,653,473.974,5.754,6,0.324,0.64,0.993,0.08662017682132822,0.2712802412446028,0.4766208621753136,0.6361198684120348,0.3676602871633199
EOS-2-31332,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2)n1,MKBUYOKLBOGGRH-UHFFFAOYSA-N,2,1,0.347,38,270,473.974,5.754,6,0.303,0.68,1.0,0.11961997121513261,0.2814320471523542,0.5456017407991227,0.6531080803234871,0.39994045987252413
EOS-2-31333,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)s1,QQZSRYFADVMFKQ-UHFFFAOYSA-N,2,1,0.55,75,183,425.926,5.209,5,0.386,0.77,1.0,0.5765026386128436,0.6730947159207731,0.6367966554725516,0.6763929819751902,0.6406967479953396
EOS-2-31334,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)cs1,VFZVDWJTCVISGV-UHFFFAOYSA-N,2,1,0.506,75,496,425.926,5.209,5,0.386,0.72,1.0,0.6908625179905421,0.6487132478925365,0.689988691659242,0.713299294085395,0.6857159379069289
EOS-2-31335,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccs5)nc4)n23)s1,FZZCUKQFHJQJTO-UHFFFAOYSA-N,2,1,0.538,24,786,425.926,5.209,5,0.386,0.79,1.0,0.62492289767665,0.8042200671646905,0.572519018573093,0.6213162223288329,0.6557445514358166
EOS-2-31336,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)cn2)s1,QEIGFBZBGHIICZ-UHFFFAOYSA-N,2,1,0.482,55,283,425.926,5.209,5,0.386,0.72,1.0,0.6819357823315743,0.7665084641217189,0.627732849016517,0.6587536837776712,0.6837326948118704
EOS-2-31337,Clc1cccc(-c2nnc3cncc(OCc4csc(-c5cccs5)n4)n23)c1,ZOQOEMXGXDKGRI-UHFFFAOYSA-N,2,1,0.641,24,268,425.926,5.209,5,0.386,0.79,1.0,0.5108799945171681,0.7352306216160647,0.43038516893975737,0.5366578712905216,0.5532884140908779
EOS-2-31338,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccs5)s4)n23)cc1,ZVYRDCHSRGWTMC-UHFFFAOYSA-N,2,1,0.588,4,850,425.926,5.209,5,0.386,0.77,1.0,0.7833339044616544,0.8856658213967514,0.48039887601946407,0.5912120485230622,0.685152662600233
EOS-2-31339,Cc1ncc(-c2c(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cnn2C)s1,OKOXFEQNJJDELH-UHFFFAOYSA-N,2,1,0.389,22,844,425.88,4.416,5,0.428,0.65,1.0,0.10144095675416352,0.4133112877801384,0.5043605647316839,0.6155335480775821,0.408661589335892
EOS-2-31340,Cn1nnnc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cs1,BERXOZPOWCATNF-UHFFFAOYSA-N,2,1,0.446,92,728,425.865,2.671,5,0.395,0.61,1.0,0.36348605304639847,0.37546261394010005,0.10802892193818107,0.170002056061956,0.2542449112466589
EOS-2-31341,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)n4)n23)cc1,NCHFBDWJNIFXRI-UHFFFAOYSA-N,2,1,0.575,36,447,425.865,2.671,5,0.422,0.69,1.0,0.4380868343499417,0.5207148242067028,0.08589198821191145,0.11938866424508258,0.2910205777534096
EOS-2-31342,Cn1nc(-c2nnc3cncc(OCc4nccs4)n23)cc1-c1cnc(Cl)nc1,CQILQHLSYXMIHG-UHFFFAOYSA-N,2,1,0.542,92,462,425.865,2.671,5,0.395,0.69,0.721,0.19703070385854293,0.33148002193132753,0.0810088410664108,0.09320814200534576,0.17568192721540676
EOS-2-31343,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4)n23)s1,WCBOLJFZQLQTSV-UHFFFAOYSA-N,2,1,0.479,58,510,425.865,2.703,5,0.441,0.72,1.0,0.6636453978479885,0.7400366664382153,0.127450140497567,0.18639915016105818,0.42938283873620725
EOS-2-31344,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)c(Cl)c2)n1,DCWFXURGLIBJCP-UHFFFAOYSA-N,2,1,0.506,36,256,425.865,2.671,5,0.422,0.65,1.0,0.45216229182372697,0.5158659447604688,0.12485436227811665,0.17273490507847303,0.31640437598519633
EOS-2-31345,Clc1snnc1CCOc1cncc2nnc(-c3cccc(-c4nc[nH]n4)c3)n12,IQHWXLNUCRJCKM-UHFFFAOYSA-N,2,1,0.494,47,931,425.865,2.703,5,0.441,0.63,1.0,0.5008138578575835,0.5964293057364128,0.04363991501610582,0.09321670893016243,0.30852494688506615
EOS-2-31346,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cn1,KCLQUBZRUUTWDV-UHFFFAOYSA-N,2,1,0.467,36,728,425.865,2.671,5,0.422,0.74,1.0,0.4017630731272702,0.5484459598382565,0.08352751696251114,0.13257316153793433,0.29157742786649304
EOS-2-31347,Clc1ncsc1CCOc1cncc2nnc(-c3cncc(-c4ncco4)c3)n12,JCWNVQUSLRCFTO-UHFFFAOYSA-N,2,1,0.484,87,76,425.861,3.573,5,0.406,0.65,1.0,0.5684582962099924,0.5712082790761428,0.16431361798368857,0.22076965252552944,0.3811874614488383
EOS-2-31348,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)cs1,KMHOFYBSSRDSCJ-UHFFFAOYSA-N,2,1,0.438,31,773,425.861,3.573,5,0.406,0.71,1.0,0.5911349461997122,0.5964378726612295,0.2793331505722706,0.3167534781714756,0.4459148619011719
EOS-2-31349,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)o1,YFKODKWAHUTBIB-UHFFFAOYSA-N,2,1,0.471,4,617,425.861,3.839,5,0.418,0.71,1.0,0.5468011102734562,0.6487218148173531,0.20402131450894387,0.232540607223631,0.40802121170584604
EOS-2-31350,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)no1,YFQPDHCSXYVIPS-UHFFFAOYSA-N,2,1,0.488,2,131,425.861,3.839,5,0.418,0.77,1.0,0.48838324994859844,0.5527465560962237,0.23228359947913096,0.26227640326228496,0.3839224521965595
EOS-2-31351,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ncco5)ncn4)n23)s1,BWNOAKDZTSEYBV-UHFFFAOYSA-N,2,1,0.441,58,481,425.861,3.573,5,0.406,0.62,0.999,0.5940734014118292,0.4932492632444658,0.17715543828387362,0.22662086217531355,0.37277474127887056
EOS-2-31352,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5nnco5)c4)n23)s1,BCNUEYSQSACERL-UHFFFAOYSA-N,2,1,0.523,58,241,425.861,3.573,5,0.406,0.69,1.0,0.6759560688095402,0.6436244945514358,0.23571893633061478,0.2858525803577548,0.4602880200123363
EOS-2-31353,Clc1ncc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)s1,MXTFQTWTFIMZEZ-UHFFFAOYSA-N,2,1,0.473,65,76,425.861,3.573,5,0.406,0.62,1.0,0.5765112055376602,0.562281543417175,0.18681036255225825,0.2207782194503461,0.38659533273935986
EOS-2-31354,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cs2)o1,NJJLBSHLKYRALI-UHFFFAOYSA-N,2,1,0.512,53,617,425.861,3.839,5,0.418,0.66,0.999,0.3866767185251182,0.43135323144404086,0.20062024535672676,0.23853745459529846,0.31429691248029606
EOS-2-31355,Clc1ncsc1CCOc1cncc2nnc(-c3cc(-c4ncco4)ccn3)n12,WJCSNHGXDFQNIZ-UHFFFAOYSA-N,2,1,0.465,18,181,425.861,3.573,5,0.406,0.58,1.0,0.5108885614419848,0.45774792680419435,0.13044856418340073,0.18640771708587486,0.3213731923788637
EOS-2-31356,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)n1,GBMVLEOPOKAZRA-UHFFFAOYSA-N,2,1,0.471,55,283,425.861,3.839,5,0.418,0.75,1.0,0.5442910013021726,0.6292406277842506,0.20402988143376052,0.22662942910013023,0.40104773490507845
EOS-2-31357,Cc1nnc(-c2cc(Cl)nc(-c3nnc4cncc(OCc5cccs5)n34)c2)o1,BLDWDUDAWBUCQQ-UHFFFAOYSA-N,2,1,0.512,53,587,425.861,3.839,5,0.391,0.69,1.0,0.440297100952642,0.4885031868960318,0.1771640052086903,0.20916146939894456,0.32878144061407716
EOS-2-31358,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)s1,QJLDTUXWDRQGHO-UHFFFAOYSA-N,2,1,0.489,58,954,425.861,3.573,5,0.406,0.71,1.0,0.7119285861147283,0.7533582345281338,0.22859982180796382,0.279915701459804,0.49345058597765745
EOS-2-31359,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)s1,FCECFTAXGKLXAG-UHFFFAOYSA-N,2,1,0.473,87,838,425.861,3.573,5,0.406,0.7,1.0,0.6394352683160852,0.6292491947090673,0.27934171749708725,0.3290555822082105,0.4692704406826125
EOS-2-31360,N#Cc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1F,MOPIVASWJQTXPD-UHFFFAOYSA-N,2,1,0.405,83,472,425.854,5.789,5,0.367,0.74,1.0,0.49325783016928243,0.8749400315262833,0.9841683229387979,0.9922297991912823,0.8361489959564115
EOS-2-31361,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4F)n23)ccc1Cl,HHXIXMBVIUAWCJ-UHFFFAOYSA-N,2,1,0.376,45,102,425.851,5.513,5,0.382,0.79,1.0,0.40375916660955385,0.7212151326159961,0.9647556713042287,0.9782228771160304,0.7669882119114522
EOS-2-31362,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cs2)cc1F,PQYVGKSIOINLDS-UHFFFAOYSA-N,2,1,0.455,45,533,425.851,5.513,5,0.382,0.78,1.0,0.3704509629223494,0.7788876704818039,0.9325868686176411,0.9637790418751285,0.7614261359742307
EOS-2-31363,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)s1,OUTATBKYXHKVML-UHFFFAOYSA-N,2,1,0.384,45,140,425.851,5.513,5,0.382,0.74,1.0,0.3231272702350764,0.6829124117606744,0.9367418271537249,0.9612946336782948,0.7260190357069427
EOS-2-31364,Fc1cc(-c2cscc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cnc1F,KBWWYQCXVMJSKK-UHFFFAOYSA-N,2,1,0.456,45,575,425.851,5.513,5,0.357,0.73,1.0,0.3659533273935988,0.6341494757042012,0.9560688095401275,0.9728771160304297,0.7322621821670894
EOS-2-31365,CC1(N)OCc2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)ccc21,VAWZEBZTROSPHF-UHFFFAOYSA-N,2,1,0.536,48,17,425.851,3.824,5,0.534,0.51,0.997,0.8767133849633335,0.8273507641696937,0.9669145363580289,0.9448804057295593,0.9039647728051537
EOS-2-31367,N#Cc1ccncc1-c1ccc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)cn1,ANLBJFZRNHSECL-UHFFFAOYSA-N,2,1,0.566,13,374,425.839,4.566,5,0.415,0.81,1.0,0.7602203413062847,0.8513295867315468,0.8460095264203962,0.8692001918991159,0.8316899115893359
EOS-2-31368,N#Cc1cncc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cn2)c1,CEUKOYOFKLJLMP-UHFFFAOYSA-N,2,1,0.566,13,374,425.839,4.566,5,0.415,0.79,1.0,0.6937153039544925,0.8379394832430951,0.8526231923788636,0.8763792748954835,0.8151643136179836
EOS-2-31369,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cncs5)ncn4)n23)c(Cl)c1,PBXOVBSWIRTOPD-UHFFFAOYSA-N,2,1,0.404,13,971,425.836,4.29,5,0.424,0.66,1.0,0.602743129326297,0.6245288191350833,0.6489873894866699,0.7159207730792955,0.6480450277568364
EOS-2-31370,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n[nH]1,XZYSCMWRYKGRAT-UHFFFAOYSA-N,2,1,0.511,36,391,425.815,2.681,5,0.46,0.72,0.998,0.5765197724624769,0.7305787814406141,0.3980450277568364,0.4750959495579467,0.5450598828044685
EOS-2-31371,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cc1-c1cnco1,VFHASTMDXLZMIX-UHFFFAOYSA-N,2,1,0.46,95,998,425.811,3.551,5,0.424,0.62,1.0,0.442695839901309,0.3656449181001988,0.6102134877664314,0.6475224453430196,0.5165191727777397
EOS-2-31372,Cn1nc(-c2cocn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,VOLNZNNZRZUSOU-UHFFFAOYSA-N,2,1,0.535,34,10,425.811,3.551,5,0.424,0.6,1.0,0.5545199095332739,0.740045233363032,0.5320317318895209,0.5755088753341101,0.6005264375299842
EOS-2-31373,Cn1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1-c1ncco1,SSNUVLPXKJQZHA-UHFFFAOYSA-N,2,1,0.438,95,910,425.811,3.551,5,0.424,0.67,0.998,0.4311133575491741,0.36565348502501543,0.5115482146528683,0.5564988691659242,0.46620348159824554
EOS-2-31374,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1-c1cnco1,RREKZNKGDTZKQS-UHFFFAOYSA-N,2,1,0.603,95,998,425.811,3.551,5,0.424,0.7,0.999,0.4883918168734151,0.4180145295044891,0.6336011925159345,0.6559865670618875,0.5489985264889315
EOS-2-31375,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)o4)n23)ccc1-c1ncon1,AAPKYMOSOJQXGM-UHFFFAOYSA-N,2,1,0.419,46,896,425.792,3.07,5,0.4,0.59,1.0,0.5793382907271606,0.5484545267630732,0.2040384483585772,0.17533068329792337,0.3767904872866835
EOS-2-31376,Cn1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(F)cc5F)n34)cn2)n1,AOXMNRZACRDJOU-UHFFFAOYSA-N,2,1,0.378,22,649,425.79,2.975,5,0.438,0.73,1.0,0.29517339455828934,0.4313617983688575,0.5043691316565005,0.670464670002056,0.4753422486464258
EOS-2-31377,FC(F)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)cn1,YGPOGDQPUMPXCH-UHFFFAOYSA-N,2,1,0.378,22,990,425.79,3.42,5,0.435,0.76,0.83,0.03428483311630457,0.3224076485504763,0.5689808786238092,0.664716263450072,0.3975974059351655
EOS-2-31378,Cn1nc(-c2ncc(F)nn2)cc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,XMAVBNQDJBZCPB-UHFFFAOYSA-N,2,1,0.404,22,844,425.79,2.975,5,0.438,0.65,0.977,0.1715698033034062,0.46235693235556163,0.4117521074635049,0.5788328421629771,0.4061279213213625
EOS-2-31379,FC(F)n1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,ONTSYKASFMHCGZ-UHFFFAOYSA-N,2,1,0.395,22,140,425.79,3.555,5,0.434,0.73,1.0,0.2110376259337948,0.5576811047906244,0.45253066959084365,0.5971403604961962,0.4545974402028648
EOS-2-31380,Cc1nc(-c2cn(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nn2)ncc1F,NOSMUXPONJLISJ-UHFFFAOYSA-N,2,1,0.452,73,649,425.79,3.069,5,0.438,0.76,1.0,0.028245151120553764,0.30203550133644025,0.43433452128024125,0.5820197381947776,0.3366587279830032
EOS-2-31381,Cc1noc(-c2ncc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cc2F)n1,GYTOLHBLGPJYIP-UHFFFAOYSA-N,2,1,0.386,45,575,425.786,4.143,5,0.428,0.68,1.0,0.44476903570694265,0.6057072853128641,0.6820557192790077,0.7730021931327531,0.6263835583578918
EOS-2-31382,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)c(F)cc5F)n34)nc2)o1,DEJMGHMFEKAIRG-UHFFFAOYSA-N,2,1,0.321,45,844,425.786,4.143,5,0.401,0.77,1.0,0.37045952984716607,0.5484630936878898,0.7471043794119663,0.7940939620313893,0.6150302412446028
EOS-2-31383,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5F)n34)nc2)o1,CHNLEAJWKYJHBP-UHFFFAOYSA-N,2,1,0.323,22,844,425.786,4.143,5,0.401,0.79,1.0,0.3634946199712151,0.6156791857994655,0.7493060790898499,0.7870605167569049,0.6288851004043589
EOS-2-31384,FC(F)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)o4)n23)cc1,FZELIWSCCPNSKO-UHFFFAOYSA-N,2,1,0.377,96,121,425.786,4.494,5,0.391,0.77,0.999,0.3309231718182441,0.5667706120211089,0.8380337194160784,0.8659361935439654,0.6504159241998492
EOS-2-31385,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)no2)nn1,HJOGBRIJJYOBMW-UHFFFAOYSA-N,2,1,0.427,55,283,425.771,2.398,5,0.387,0.58,1.0,0.5033153999040504,0.6057158522376808,0.1397693783839353,0.22078678637516277,0.3673968542252073
EOS-2-31386,Fc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nnco1,BVQNPJQKTOZNBG-UHFFFAOYSA-N,2,1,0.398,53,237,425.771,2.398,5,0.387,0.59,0.975,0.5765283393872935,0.5387910355698718,0.20404701528339386,0.2589781372078679,0.3945861318621067
EOS-2-31387,Fc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncno1,VVBDIRLPLWFOON-UHFFFAOYSA-N,2,1,0.37,51,924,425.771,2.398,5,0.387,0.5,0.977,0.5521126036597903,0.5112141045850181,0.1740713453498732,0.22351106846686314,0.3652272805153862
EOS-2-31388,Fc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nnco1,NLSNMVVQIIJVRJ-UHFFFAOYSA-N,2,1,0.374,51,924,425.771,2.398,5,0.387,0.5,0.994,0.6082345281337811,0.5387996024946885,0.17049893770132274,0.2235196353916798,0.38526317593036796
EOS-2-31389,Fc1nc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)ccc1-c1nnco1,YOXROEGMDZKOSB-UHFFFAOYSA-N,2,1,0.396,46,62,425.771,2.398,5,0.305,0.57,0.848,0.7456223014186828,0.5712168460009595,0.26094852991570144,0.27992426838462064,0.46442798642999106
EOS-2-31390,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)c(Cl)c5)o4)n23)ccc1Cl,VPVAYGVACNCUQQ-UHFFFAOYSA-N,2,1,0.577,59,13,474.254,5.61,5,0.33,0.75,1.0,0.964952710575012,0.9714550065108628,0.9652011513946953,0.9757898704680967,0.9693496847371668
EOS-2-31391,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5Cl)n34)cc2F)o1,OIRCLJHRGVCONX-UHFFFAOYSA-N,2,1,0.5,13,724,474.254,6.132,5,0.312,0.71,1.0,0.9182201357000891,0.8749485984511,0.9660749777259955,0.9678825988623124,0.9317815776848742
EOS-2-31392,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5Cl)on4)n23)c1F,HTJMXRYSLROGLC-UHFFFAOYSA-N,2,1,0.477,59,13,474.254,5.61,5,0.33,0.71,1.0,0.7633986704132685,0.6682972380234391,0.9655866630114454,0.9802018367486807,0.8443711020492084
EOS-2-31393,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nn2)cc1F,HMUXAFZZBDEXDY-UHFFFAOYSA-N,2,1,0.589,34,612,474.258,4.536,5,0.372,0.69,1.0,0.38887841820300184,0.7212236995408128,0.9007179082996367,0.944888972654376,0.7389272496744568
EOS-2-31394,Cn1ncc(-c2nnc3cncc(Oc4cnc(Cl)c(F)c4)n23)c1-c1ccc(Cl)c(F)c1,UBABOZJBMQZUMK-UHFFFAOYSA-N,2,1,0.456,13,573,474.258,4.964,5,0.343,0.69,1.0,0.4956651360427661,0.5870399561373449,0.9101329586731547,0.9366304571311083,0.7323671269960934
EOS-2-31395,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)c(Cl)c5)n4)n23)c(F)c1,LQLQXGFCYVTSKE-UHFFFAOYSA-N,2,1,0.494,34,612,474.258,4.536,5,0.372,0.77,1.0,0.5033239668288672,0.7074823521348776,0.8780069906106504,0.9306593105338907,0.7548681550270715
EOS-2-31396,Cn1nc(-c2ccc(Cl)c(F)n2)cc1Oc1cncc2nnc(-c3c(F)cccc3Cl)n12,SCWPUNGKHHHHGF-UHFFFAOYSA-N,2,1,0.382,34,671,474.258,4.964,5,0.343,0.61,0.998,0.6055273798917141,0.7258498389418134,0.844416078404496,0.8903604961962854,0.7665384483585773
EOS-2-31397,Fc1cc(-c2ccc(Cl)cc2Cl)cc(-c2nnc3cncc(OCc4nncn4F)n23)c1,LKUKJAPPJJWEQZ-UHFFFAOYSA-N,2,1,0.53,34,607,474.258,4.807,5,0.364,0.69,1.0,0.6937238708793092,0.8607960386539648,0.8879446233979851,0.9416335412240422,0.8460245185388253
EOS-2-31398,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(Cl)c1,COCQIZNBAQLRLC-UHFFFAOYSA-N,2,1,0.471,34,252,474.258,4.964,5,0.366,0.65,1.0,0.6789887601946405,0.880285792611884,0.8995442395997533,0.9315331368651909,0.8475879823178671
EOS-2-31399,Fc1ccc(-c2nnc3cncc(OCc4cn(-c5cc(Cl)cc(Cl)c5)nn4)n23)c(F)c1,WCEQRZGYJHXGHI-UHFFFAOYSA-N,2,1,0.591,34,612,474.258,4.536,5,0.372,0.73,1.0,0.3704680967719827,0.6341580426290179,0.8843979165238846,0.9374785826879584,0.7066256596532109
EOS-2-31400,Cc1c(Cl)csc1COc1cncc2nnc(-c3ccc(Cl)c(Cl)c3)n12,BIFMBCXMLJBMKD-UHFFFAOYSA-N,2,1,0.613,90,255,425.728,5.7,4,0.421,0.78,1.0,0.8435936536220958,0.902825371804537,0.9204818038516894,0.9577564937290111,0.9061643307518332
EOS-2-31401,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)s1,XYTKEWJYKNQXDD-UHFFFAOYSA-N,2,1,0.671,90,400,425.728,5.435,4,0.427,0.79,1.0,0.9600352957302447,0.97531868960318,0.907340141182921,0.9577650606538277,0.9501147967925434
EOS-2-31402,Fc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)nc1,JMIXIXRPKYPLLH-UHFFFAOYSA-N,2,1,0.517,73,877,474.308,4.73,5,0.364,0.65,1.0,0.6363854430813515,0.8513381536563636,0.5009252278802001,0.707653690631211,0.6740756288122816
EOS-2-31403,Fc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)cc1Cl,IUANAOYYMWSSTH-UHFFFAOYSA-N,2,1,0.506,73,401,474.308,4.73,5,0.34,0.68,1.0,0.6819443492563909,0.8802943595367007,0.6162360359125488,0.7605801521485848,0.7347637242135563
EOS-2-31404,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)nc(Cl)n1,SBIYQCXFWXQOTE-UHFFFAOYSA-N,2,1,0.518,24,486,474.308,4.73,5,0.269,0.64,1.0,0.6967736961140429,0.7919008292783223,0.6655386882324721,0.7213265026386129,0.7188849290658625
EOS-2-31405,Fc1cncc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)s2)c1,VSVIJSVPBINHDE-UHFFFAOYSA-N,2,1,0.529,34,10,474.308,4.73,5,0.364,0.74,1.0,0.687975464327325,0.8662531697621821,0.5756459461311767,0.7553029264615174,0.7212943766705504
EOS-2-31406,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ncc(Cl)s1,QPELAHVVBPQXPC-UHFFFAOYSA-N,2,1,0.562,73,335,474.308,4.73,5,0.364,0.77,1.0,0.9261531080803235,0.9444434925639092,0.43805256665067505,0.6184034678911657,0.7317631587965183
EOS-2-31407,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nc(Cl)n2)c1,HMKMTNRLZNIEGO-UHFFFAOYSA-N,2,1,0.435,46,128,474.308,4.73,5,0.34,0.63,0.998,0.6481906654787197,0.6584452744842711,0.6516774038791036,0.745099719004866,0.6758532657117402
EOS-2-31408,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4csc(-c5ccc(Cl)nn5)n4)n23)c1,VUKOUBYTXKYLLM-UHFFFAOYSA-N,2,1,0.506,34,820,474.308,4.73,5,0.364,0.78,0.999,0.6451579740936193,0.8080323487081077,0.5725275854979097,0.7185936536220958,0.6860778904804331
EOS-2-31409,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nc(-c4ccc(Cl)nc4)ns3)n12,NGJQNQHQWSVYQP-UHFFFAOYSA-N,2,1,0.517,73,539,474.308,4.73,5,0.34,0.68,1.0,0.6222157494345829,0.8483568638201631,0.5656826125693921,0.7347166061270646,0.6927429579878006
EOS-2-31410,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nc(-c4ccc(Cl)cn4)ns3)n12,DXQNRWVKISWRGD-UHFFFAOYSA-N,2,1,0.517,73,877,474.308,4.73,5,0.364,0.71,1.0,0.6570917003632376,0.8483654307449798,0.5043776985813172,0.7076622575560277,0.6793742718113905
EOS-2-31411,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1Cl,CNZACDGEIUKSIY-UHFFFAOYSA-N,2,1,0.518,43,613,474.311,5.006,5,0.353,0.74,1.0,0.962631073949695,0.9466965937906929,0.9167637584812556,0.9283462408333905,0.9386094167637585
EOS-2-31412,N#Cc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)ccc1Cl,DDWKEWLOIFFJNI-UHFFFAOYSA-N,2,1,0.511,97,137,474.311,5.006,5,0.353,0.73,1.0,0.6665667192104722,0.8196490987595093,0.9242512507710232,0.9382753066959084,0.8371855938592283
EOS-2-31413,Clc1cccc(Cl)c1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ccoc5)cc4)n23)n1,NWSFVSJWVXUZJM-UHFFFAOYSA-N,2,1,0.329,3,289,474.311,5.606,6,0.33,0.69,1.0,0.06068809540127476,0.22521588650538002,0.7318038516893975,0.8610530463984648,0.46969021999862925
EOS-2-31414,N#Cc1ccncc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)c(Cl)c4)ccn3)n12,ISZQJQRHHOJIMR-UHFFFAOYSA-N,2,1,0.444,59,153,474.311,5.006,5,0.353,0.78,1.0,0.7426581454321157,0.7576759646357344,0.92515934480159,0.9391662668768419,0.8411649304365705
EOS-2-31415,N#Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)ccc1Cl,TXQCTJPUQYKQTL-UHFFFAOYSA-N,2,1,0.429,97,160,474.311,5.006,5,0.353,0.74,1.0,0.727563223905147,0.7305873483654307,0.9204903707765061,0.9382838736207251,0.8292312041669523
EOS-2-31416,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ccncc5Cl)cn4)n23)ccc1Cl,WXINBAPYJCVOGO-UHFFFAOYSA-N,2,1,0.578,97,744,474.311,5.006,5,0.353,0.73,1.0,0.8241210335138098,0.9248680693578233,0.9302823658419573,0.9409139195394421,0.9050463470632581
EOS-2-31417,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(Cl)c5)n34)ccn2)cn1,ORIXAZGXVDNBNA-UHFFFAOYSA-N,2,1,0.65,59,294,474.311,5.006,5,0.353,0.82,1.0,0.9141080117880885,0.9004609005551367,0.9276523199232404,0.9330666164073744,0.9188219621684601
EOS-2-31418,N#Cc1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)c(-c2ccc(Cl)cc2)c1,XDTNPOQYCTYSNB-UHFFFAOYSA-N,2,1,0.489,97,210,474.311,5.006,5,0.33,0.73,1.0,0.8660818312658488,0.9314303337673908,0.864531217874032,0.9079398259200877,0.8924958022068399
EOS-2-31419,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cc1Cl,UULXHFLEIHFKRW-UHFFFAOYSA-N,2,1,0.321,3,7,474.315,4.736,6,0.396,0.68,1.0,0.04004180659310534,0.23027037214721405,0.7795044890686039,0.8436793228702625,0.4733739976697965
EOS-2-31420,Brc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)nc1,MUAPPNMGFIECSI-UHFFFAOYSA-N,2,1,0.633,79,881,474.318,5.32,5,0.332,0.82,1.0,0.771999862929203,0.7400538002878487,0.7655489685422521,0.732000890960181,0.7524008806798712
EOS-2-31421,Brc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cc1,MWQHHDLOEQAIOY-UHFFFAOYSA-N,2,1,0.753,91,660,474.322,4.027,5,0.367,0.77,1.0,0.9424988006305257,0.9417706120211089,0.6249914330751833,0.6126379274895484,0.7804746933040916
EOS-2-31422,Brc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)nc1,SCMZJUDWOBBAOL-UHFFFAOYSA-N,2,1,0.511,87,529,474.322,4.027,5,0.367,0.78,1.0,0.6698478514152559,0.692772942224659,0.43806113357549176,0.4405455417723254,0.560306867246933
EOS-2-31423,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cc2Cl)o1,SNTQRTAAPNJSQQ-UHFFFAOYSA-N,2,1,0.552,37,626,474.333,4.244,5,0.38,0.53,1.0,0.702907614282777,0.6156877527242821,0.5389538071413885,0.6000959495579467,0.6144112809265986
EOS-2-31424,Fc1ccccc1-c1nnc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4F)n23)o1,UZPKURQNPICVHF-UHFFFAOYSA-N,2,1,0.547,34,679,474.349,4.717,5,0.341,0.7,1.0,0.8969313275306696,0.9345829620999246,0.9760468782125968,0.9607377835652114,0.9420747378521006
EOS-2-31425,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)o2)c(F)c1,FQHYKFUWKTZTRM-UHFFFAOYSA-N,2,1,0.529,34,138,474.349,4.717,5,0.341,0.74,1.0,0.9519138510040436,0.947724624768693,0.980116167500514,0.9663748200945789,0.9615323658419574
EOS-2-31426,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C(F)(F)F)o5)c4)n23)c(F)c1,NPXVLFCBDNUVSG-UHFFFAOYSA-N,2,1,0.558,43,146,474.349,4.717,5,0.341,0.79,1.0,0.9196765129189226,0.9155900897813721,0.9665375916660955,0.9263672812007402,0.9320428688917826
EOS-2-31427,Cc1onnc1-c1cc(F)c(COc2cncc3nnc(-c4c(F)ccc(F)c4F)n23)cc1F,XAQZZIHYJFTSRW-UHFFFAOYSA-N,2,1,0.494,34,607,474.349,4.424,5,0.275,0.57,1.0,0.6937324378041259,0.7446456719895826,0.9472877116030429,0.9448975395791926,0.832640840243986
EOS-2-31428,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)c(F)c4)n23)cc1-c1nnco1,UOYIUAMORLUOLW-UHFFFAOYSA-N,2,1,0.554,43,138,474.349,4.717,5,0.341,0.68,1.0,0.9541412514563772,0.9192824343773559,0.992238366116099,0.9809471592077308,0.9616523027893908
EOS-2-31429,Fc1ccc(-n2nnnc2COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1F,MQLWWTNAGNULQG-UHFFFAOYSA-N,2,1,0.517,34,612,474.353,3.643,5,0.359,0.73,1.0,0.7777996710300871,0.8414005208690288,0.9582962099924611,0.9441008155712426,0.8803993043657049
EOS-2-31430,Fc1cc(-c2nnc3cncc(OCCc4c(F)cc(F)c(F)c4F)n23)ccc1-c1nn[nH]n1,YRPUIFDCRDPRBT-UHFFFAOYSA-N,2,1,0.57,23,6,474.353,3.288,5,0.229,0.68,1.0,0.9323726954972243,0.9095932424097046,0.9251679117264067,0.9211842916866562,0.922079535329998
EOS-2-31431,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)cc1F,XRRACKUERBNVEV-UHFFFAOYSA-N,2,1,0.523,34,612,474.353,3.643,5,0.359,0.63,1.0,0.6967822630388596,0.7665170310465356,0.9502347337399767,0.9315417037900076,0.8362689329038449
EOS-2-31432,Fc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5cncn5C(F)F)n4)n23)cc1F,XTLMAWITFGGULN-UHFFFAOYSA-N,2,1,0.38,46,469,474.353,3.836,5,0.345,0.63,1.0,0.5314663148516209,0.5112226715098348,0.9120262490576383,0.8890240559248852,0.7109348228359949
EOS-2-31433,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5nncn5CC(F)(F)F)nc4)n23)c1F,ZKVPEMZMJAYMFM-UHFFFAOYSA-N,2,1,0.442,13,252,474.353,4.078,5,0.354,0.67,0.999,0.6937410047289425,0.7746556096223699,0.9215698033034062,0.8917140703173189,0.8204201219930094
EOS-2-31434,Fc1cc(Cl)c(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1Cl,KXCNNFRHSKTFRY-UHFFFAOYSA-N,2,1,0.494,73,255,425.638,4.26,4,0.455,0.69,1.0,0.7663542594750189,0.8608046055787815,0.8821276814474677,0.9409224864642588,0.8625522582413816
EOS-2-31435,Fc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cc1F,JLVDAXHXKIQJBJ-UHFFFAOYSA-N,2,1,0.5,40,117,474.387,3.749,6,0.352,0.76,1.0,0.8135751490644918,0.7258584058666301,0.515240559248852,0.5133472688643684,0.6420053457610856
EOS-2-31436,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cc(-c2nnco2)c1F,KLDYRTGZVDJGTA-UHFFFAOYSA-N,2,1,0.568,77,909,474.387,3.749,6,0.352,0.48,1.0,0.9167723254060722,0.7616938523747515,0.6955143581659927,0.6417740387910356,0.753938643684463
EOS-2-31437,Fc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)cc1F,SWVYHMJTMLIRBE-UHFFFAOYSA-N,2,1,0.5,56,893,474.391,2.879,6,0.382,0.73,1.0,0.7663628263998356,0.7074909190596943,0.3942584469878692,0.4184600095949558,0.5716430505105887
EOS-2-31438,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnco5)n4)n23)ccc1-c1nc[nH]n1,UKLFUJGMTIVTJW-UHFFFAOYSA-N,2,1,0.469,4,712,474.391,2.879,6,0.382,0.49,1.0,0.6168014529504489,0.5870485230621616,0.3605047632101981,0.36478822561853197,0.48228574121033513
EOS-2-31439,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)c(F)c5)n34)no2)cc1,QKZWXOFBSWJBOW-UHFFFAOYSA-N,2,1,0.473,34,893,474.391,2.879,6,0.382,0.7,1.0,0.6759646357343568,0.6683058049482558,0.3492906586251799,0.40899355767253787,0.5256386642450825
EOS-2-31440,Fc1cccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)c1F,NIGWMJLIQULPBA-UHFFFAOYSA-N,2,1,0.457,56,893,474.391,2.879,6,0.382,0.67,1.0,0.7275717908299637,0.6683143718730724,0.36051333013501474,0.39340175450620246,0.5374503118360633
EOS-2-31441,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nn2)nc1C(F)F,LZNFKTDQNQVIMT-UHFFFAOYSA-N,2,1,0.326,99,14,474.395,2.426,6,0.362,0.67,0.363,0.23284901651703105,0.20993249263244465,0.06591391953944212,0.06928072099239257,0.1444940374203276
EOS-2-31442,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c(Cl)s1,YBXBOHLLTJJIIT-UHFFFAOYSA-N,2,1,0.564,75,496,474.398,5.905,5,0.306,0.75,1.0,0.7572561853197176,0.7489377013227332,0.7134620656569118,0.7895192241792885,0.7522937941196628
EOS-2-31443,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncnnc5C(F)(F)F)n34)cc2)cc1,BSCKJLCRFURKIS-UHFFFAOYSA-N,2,1,0.5,1,431,474.406,4.113,5,0.374,0.72,1.0,0.8706223014186828,0.79990233705709,0.9268812966897403,0.8806884380782675,0.8695235933109452
EOS-2-31444,Fc1ccc(-c2nnc3cncc(OCc4nnc5cncc(-c6cc(F)ccc6F)n45)n23)cc1,XYGUPSQEZWHRFV-UHFFFAOYSA-N,2,1,0.562,34,929,474.406,3.892,6,0.374,0.64,1.0,0.8436022205469125,0.8749571653759166,0.742058460694949,0.8418631348091289,0.8256202453567267
EOS-2-31445,FC(F)(F)c1ccn(-c2nccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)n2)n1,IECRAMFYFVTSOX-UHFFFAOYSA-N,2,1,0.264,10,195,474.41,3.639,6,0.384,0.7,1.0,0.011830923171818244,0.0797066684942773,0.6738914399287231,0.5820283051195942,0.33686433417860323
EOS-2-31446,FC(F)(F)c1nc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,POJAKMMTKGDMFC-UHFFFAOYSA-N,2,1,0.304,10,195,474.41,3.843,6,0.413,0.68,0.349,0.021443012816119527,0.16203481598245495,0.7318124186142142,0.6298660132958673,0.386289065177164
EOS-2-31447,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)c(F)c5)n4)n23)c(F)c1,RMKAHVNSEIXZFA-UHFFFAOYSA-N,2,1,0.295,22,990,474.41,3.252,6,0.386,0.64,1.0,0.07580871770269344,0.317490233705709,0.5422606401206223,0.6241004728942499,0.38991501610581863
EOS-2-31448,Fc1cnc(-c2nc(C(F)F)[nH]c2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)nc1,CPXTYLCCWIGZLR-UHFFFAOYSA-N,2,1,0.27,10,195,474.41,3.901,6,0.403,0.63,0.061,0.00617675279281749,0.049748132410389966,0.4629394832430951,0.4994088821876499,0.2545683126584881
EOS-2-31449,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)n5C)n34)c(F)c2)no1,FKIRVNNDPBXUFL-UHFFFAOYSA-N,2,1,0.427,71,677,474.416,2.651,6,0.351,0.65,1.0,0.47364813926392985,0.5207233911315194,0.06793571379617573,0.06414056610239188,0.28161195257350424
EOS-2-31450,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(-c4ncon4)c(F)c3)n12,GYJYRXJSYBBTQO-UHFFFAOYSA-N,2,1,0.447,36,728,474.42,1.483,6,0.345,0.64,1.0,0.47596977588924677,0.5112312384346515,0.036546501267904874,0.042012199300938934,0.26643992872318556
EOS-2-31451,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nnnn6C)nn5C)n34)c(F)c2)n1,NBDSFLSDCDWWHB-UHFFFAOYSA-N,2,1,0.381,36,292,474.424,0.837,6,0.348,0.57,1.0,0.41714070317318896,0.5112398053594681,0.012156466314851622,0.010040435885134672,0.23764435268316086
EOS-2-31452,Fc1ncc(-c2ccc(-c3nnc4cncc(OCC5COc6ccccc6O5)n34)cc2F)cn1,GAJKCSCBFYBKBE-UHFFFAOYSA-N,2,1,0.483,11,222,474.427,3.745,6,0.356,0.61,1.0,0.9797477897333973,0.9487869234459598,0.8780155575354671,0.8277191419368104,0.9085673531629087
EOS-2-31453,Cn1ncc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)c1-c1ccc(OC(F)F)cc1,XKGNLJPHHCVTKY-UHFFFAOYSA-N,2,1,0.57,89,996,474.431,3.639,5,0.351,0.71,1.0,0.5239188540881365,0.48388561441984784,0.8314286203824275,0.7528442190391337,0.6480193269823864
EOS-2-31454,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c3cccn3n2)o1,CWMRJHXAMABQAD-UHFFFAOYSA-N,2,1,0.468,72,51,474.431,4.314,6,0.351,0.73,1.0,0.7456308683434995,0.5818912343225275,0.6130148721814818,0.5850609965046947,0.6313994928380509
EOS-2-31455,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5nnc6ccccn56)n34)cn2)cn1,QLPCNNOJEJWFJM-UHFFFAOYSA-N,2,1,0.417,92,468,474.435,3.109,6,0.347,0.68,1.0,0.40603796861078745,0.47976492358303063,0.3122472757179083,0.31366081831265846,0.3779277465560962
EOS-2-31456,N#Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)c2)cn1,BONQONKOCAEZIX-UHFFFAOYSA-N,2,1,0.448,81,218,474.444,3.144,6,0.35,0.67,1.0,0.40604653553560416,0.3991330272085532,0.312255842642725,0.2622849701871016,0.34493009389349594
EOS-2-31457,c1ccn2c(-c3ncc(Oc4cncc5nnc(-c6ccc(-c7cnco7)cc6)n45)cn3)nnc2c1,YOHQQBXQFWEDIA-UHFFFAOYSA-N,2,1,0.416,41,25,474.444,3.738,7,0.363,0.62,1.0,0.5365379343430882,0.4085052429579878,0.2214978411349462,0.24994003152628333,0.3541202624905764
EOS-2-31458,N#Cc1ccncc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccon5)cn4)n23)cn1,LNNLSGHJVFTTIQ-UHFFFAOYSA-N,2,1,0.383,80,855,474.444,3.144,6,0.35,0.7,1.0,0.5057998081008841,0.4401771640052087,0.3795576040024673,0.32906414913302723,0.41364968131039687
EOS-2-31459,COc1ncc(C#N)cc1-n1cc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)nn1,CAMMYVVPVQVONK-UHFFFAOYSA-N,2,1,0.284,86,312,474.448,2.166,6,0.36,0.65,0.989,0.08922452196559523,0.09272839421561237,0.1164844767322322,0.10772051264478102,0.10153947638955521
EOS-2-31460,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccc(F)cn6)s5)n34)c(F)c2)o1,JBOWOHDPBIREBY-UHFFFAOYSA-N,2,1,0.321,32,572,474.456,4.613,6,0.364,0.56,1.0,0.2977691727777397,0.4534473305462271,0.4117606743883216,0.45642005345761083,0.4048493077924748
EOS-2-31461,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)nc1F,MNUFAWHEGQXNNU-UHFFFAOYSA-N,2,1,0.325,76,653,474.456,4.613,6,0.364,0.66,0.989,0.29518196148310605,0.44888972654375986,0.2832225344390378,0.38081694195051746,0.35202779110410526
EOS-2-31462,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(OC)cn5)c(F)n4)n23)c1,AYFQNABNONPDCY-UHFFFAOYSA-N,2,1,0.41,18,773,474.456,2.816,5,0.31,0.56,0.98,0.6819529161812076,0.5712254129257761,0.33061476252484406,0.18641628401069152,0.4425523439106298
EOS-2-31463,COc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4ccc(F)cn4)c(OC)n3)n12,AGPWGOXUEOUUTG-UHFFFAOYSA-N,2,1,0.377,49,501,474.456,2.816,5,0.332,0.6,0.916,0.6819614831060242,0.529735796038654,0.190117195531492,0.11715269686793228,0.3797417928860256
EOS-2-31464,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(F)c6)n5)n34)c(F)c2)s1,YWEAQIZQIROKGY-UHFFFAOYSA-N,2,1,0.322,3,158,474.46,3.539,6,0.381,0.57,1.0,0.027028647796586938,0.28684634363648825,0.1970135700089096,0.3105681584538414,0.20536417997395656
EOS-2-31465,OCCN=c1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)n[nH]1,NAGTVXVOIKJIGL-UHFFFAOYSA-N,2,1,0.495,75,359,474.46,1.02,5,0.336,0.34,0.999,0.5684668631348091,0.2712888081694195,0.13653964772805155,0.11252655746693167,0.272205469124803
EOS-2-31466,CC(=O)Nc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnnn5C)c(F)c4)n23)c1,NQKJIPXEUOJBAI-UHFFFAOYSA-N,2,1,0.551,36,447,474.46,2.096,5,0.376,0.76,1.0,0.31340381056815847,0.0762713316427935,0.11649304365704886,0.06928928791720924,0.14386436844630252
EOS-2-31467,Cc1cc(-n2cc(F)c(-c3cccc(F)n3)n2)ccc1-c1nnc2cncc(-c3nnsn3)n12,MMFWJDGGUITVMC-UHFFFAOYSA-N,2,1,0.277,10,871,474.46,3.539,6,0.357,0.54,0.352,0.042980261805222394,0.15441025289562058,0.26095709684051815,0.34193167020766224,0.20006982043725585
EOS-2-31468,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)cc4)n23)cc1,DOCPWHUETFZBSS-UHFFFAOYSA-N,2,1,0.845,79,590,474.467,5.807,5,0.269,0.81,1.0,0.9880748406551985,0.9876293605647317,0.9508858200260435,0.9223836611609897,0.962243420601741
EOS-2-31469,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cccc(Oc5ccccc5)c4)n23)cc1,XFUDDILDHZQFFR-UHFFFAOYSA-N,2,1,0.811,79,590,474.467,5.807,5,0.269,0.82,1.0,0.9957508052909327,0.9933092317181824,0.9478531286409431,0.9191025289562059,0.9640039236515661
EOS-2-31470,Cc1ncc(-c2nnc3cncc(OCCc4ccccc4)n23)c(-c2ccc(OC(F)F)cc2)n1,FACASIJCRUCDRN-UHFFFAOYSA-N,2,1,0.725,79,824,474.471,4.78,5,0.32,0.77,0.999,0.9541498183811938,0.922966212048523,0.7816633541224042,0.7238023439106298,0.8456454321156878
EOS-2-31471,COc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)c(OC)n4)n23)cc1OC,NLEMSEHWSQOEKF-UHFFFAOYSA-N,2,1,0.495,49,501,474.477,3.489,5,0.314,0.76,0.999,0.3543451442670139,0.007658830786101021,0.28692344595983826,0.09134055239531218,0.18506699335206633
EOS-2-31472,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5c(C)oc(=O)n5C)c(OC)c4)n23)c1,NYVFARZLSXSBLU-UHFFFAOYSA-N,2,1,0.495,89,458,474.477,3.05,5,0.351,0.51,1.0,0.27306216160646973,0.1581111644164211,0.2538551161675005,0.10356555410869714,0.19714849907477214
EOS-2-31473,Cn1cnnc1-c1cc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)c(F)c2)no1,AJPNEVYYVZNTFP-UHFFFAOYSA-N,2,1,0.436,16,256,474.481,4.021,6,0.356,0.67,1.0,0.5793468576519772,0.5917431978616956,0.37184737166746623,0.37104208073469946,0.4784948769789596
EOS-2-31474,Cn1nccc1-c1cc(COc2cncc3nnc(-c4scnc4-c4cccc(F)c4)n23)on1,YZUOGZMWADZLDX-UHFFFAOYSA-N,2,1,0.462,6,247,474.481,4.021,6,0.356,0.66,0.999,0.4786083887327805,0.4797734905078473,0.24655609622369953,0.2738503186896032,0.3696970735384826
EOS-2-31475,O=c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cn1,SFOQWXSDFVSABU-UHFFFAOYSA-N,2,1,0.479,77,120,474.484,3.373,6,0.361,0.66,1.0,0.4355767253786581,0.21489274210129533,0.4906620519498321,0.4121975875539716,0.3883322767459393
EOS-2-31476,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)cn5)n34)cc2)nn1,DOECBIYSKVFDAA-UHFFFAOYSA-N,2,1,0.517,81,117,474.488,3.383,6,0.354,0.67,1.0,0.4543811253512439,0.3845778219450346,0.2430008224247824,0.19732197930230963,0.31982043725584264
EOS-2-31477,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnccn6)cn5)n34)cc2)nn1,KWLHRMYFJYIRNG-UHFFFAOYSA-N,2,1,0.472,40,355,474.488,3.383,6,0.354,0.65,1.0,0.4543896922760606,0.3845863888698513,0.25386368309231716,0.2002861352888767,0.32328147488177644
EOS-2-31478,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cn2)cn1,LBYJJGUUHXZAMZ-UHFFFAOYSA-N,2,1,0.434,80,34,474.488,3.383,6,0.354,0.59,0.998,0.4447776026317593,0.3802172572133507,0.1901257624563087,0.13258172846275101,0.2869255876910424
EOS-2-31479,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cn2)cn1,DNJRRLQCDGASQU-UHFFFAOYSA-N,2,1,0.453,6,984,474.488,3.383,6,0.354,0.63,1.0,0.41504180659310536,0.34136625316976216,0.20766225755602769,0.15676615722020423,0.2802091186347748
EOS-2-31480,COc1cnc(-c2ccc(C)c(-c3cncc4nnc(-c5cnc(-c6cnccn6)nc5)n34)c2)nc1,INPBIWVIQMFKTO-UHFFFAOYSA-N,2,1,0.341,86,459,474.488,3.479,6,0.366,0.69,1.0,0.25988623123843463,0.06903228017270921,0.23953121787403195,0.1727434720032897,0.18529830032211636
EOS-2-31481,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)cn1,IPDDLLFGRWJDRM-UHFFFAOYSA-N,2,1,0.44,80,621,474.488,3.383,6,0.354,0.62,1.0,0.5496024946885066,0.4268213282160236,0.30497395654855736,0.23254917414844767,0.3784867384003838
EOS-2-31482,c1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(-c6ccnnc6)n5)n34)cc2)cn1,CTDKHDCBLPQGGE-UHFFFAOYSA-N,2,1,0.444,40,355,474.488,3.117,6,0.34,0.62,1.0,0.5571413885271743,0.5252638612843533,0.31599102186279215,0.2946593790692893,0.42326391268590224
EOS-2-31483,c1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(-c6cnccn6)c5)n34)nn2)c1,HWAYSURSEKRZEW-UHFFFAOYSA-N,2,1,0.433,6,277,474.488,3.117,6,0.34,0.61,1.0,0.5821568089918443,0.41802309642930574,0.21776266191487903,0.20334452744842713,0.35532177369611406
EOS-2-31484,Cn1nc(-c2cnnn2C)cc1Oc1cncc2nnc(-c3ccc(-c4cccc(C#N)c4)cc3)n12,WLMBDUPIERYYMH-UHFFFAOYSA-N,2,1,0.394,67,622,474.488,3.651,6,0.371,0.76,0.999,0.36596189431841547,0.40392193818107053,0.4380697005003084,0.4184685765197725,0.4066055273798917
EOS-2-31485,COc1nc(C)nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)n1,KUBFYBXPHUNLLT-UHFFFAOYSA-N,2,1,0.306,38,608,474.488,3.479,6,0.366,0.76,1.0,0.36125008566924816,0.15034096360770338,0.12486292920293332,0.0805290932766774,0.17924576793914054
EOS-2-31486,Cn1nc(-c2ccc(C#N)cc2)cc1Oc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,MXDBCNQTNAZECW-UHFFFAOYSA-N,2,1,0.447,67,245,474.488,3.651,6,0.371,0.76,1.0,0.5083184839969844,0.42682989514084024,0.4303937358645741,0.3647967925433486,0.43258472688643684
EOS-2-31487,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnccn6)nn5)n34)cc2)n1,YLRCUGZYKVSBRM-UHFFFAOYSA-N,2,1,0.447,40,355,474.488,3.383,6,0.354,0.6,1.0,0.43809540127475843,0.36089027482694813,0.17717257213350696,0.15937050236447126,0.28388218764992124
EOS-2-31488,Cc1cnnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)n1,JMDRXRHDYIOYPU-UHFFFAOYSA-N,2,1,0.434,28,363,474.488,3.383,6,0.354,0.61,1.0,0.4171492700980056,0.3608988417517648,0.10269172777739703,0.10997361387156467,0.24767836337468302
EOS-2-31489,c1cnc(-c2cncc(CCOc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)nc1,WDJHZFFHSNVYPE-UHFFFAOYSA-N,2,1,0.458,80,355,474.488,3.117,6,0.34,0.67,1.0,0.6451665410184361,0.5964464395860462,0.19013432938112534,0.18930333767390858,0.40526266191487903
EOS-2-31490,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnc7ccccn67)nn5C)n34)cc2)n1,UUIFKBPUZVRUEC-UHFFFAOYSA-N,2,1,0.293,98,63,474.492,2.697,7,0.382,0.63,1.0,0.04575594544582277,0.03580117880885477,0.08831642793502845,0.10998218079638133,0.06996393324652184
EOS-2-31491,Fc1ccc(-c2nnc3cncc(OCc4ccccc4-c4cnc(-c5ccccc5)nc4)n23)cc1,WLVLNULBVQTQJL-UHFFFAOYSA-N,2,1,0.628,12,47,474.499,5.633,6,0.311,0.83,1.0,0.969750188472346,0.9330837502570077,0.8346926187375779,0.8298608731409773,0.8918468576519772
EOS-2-31492,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)c5)n34)cc2)nc1,DCFJZAXMKQNLJA-UHFFFAOYSA-N,2,1,0.554,12,427,474.499,5.633,6,0.311,0.78,1.0,0.9445205948872593,0.8379480501679117,0.860119251593448,0.8418717017339455,0.8711148995956411
EOS-2-31493,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c(F)c2)cc1,IVDYYXAGQHOGHF-UHFFFAOYSA-N,2,1,0.455,12,492,474.499,6.155,6,0.298,0.79,1.0,0.8617126996093483,0.8447587553971626,0.9251764786512233,0.9045815913919539,0.8840573812624221
EOS-2-31494,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cc5)n34)c2)cc1,RAAMMYYYHBDAFH-UHFFFAOYSA-N,2,1,0.512,12,427,474.499,5.633,6,0.311,0.9,1.0,0.7602289082311013,0.6584538414090878,0.863134809128915,0.8593910629840312,0.7853021554382839
EOS-2-31495,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cc5)n34)c2)nc1,JQKLDNGYICBDJT-UHFFFAOYSA-N,2,1,0.506,12,427,474.499,5.633,6,0.311,0.83,1.0,0.8187067370296758,0.6879326297032418,0.8856658213967514,0.872267150983483,0.816143084778288
EOS-2-31496,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cc5)n34)cc2)nc1,RQXSKKFHQJZHHV-UHFFFAOYSA-N,2,1,0.548,12,427,474.499,5.633,6,0.311,0.83,1.0,0.9487783565211432,0.8309231718182442,0.8913028579261189,0.8750342676992666,0.8865096634911932
EOS-2-31497,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)cc2)nn1,QFYLJQJXABSVMS-UHFFFAOYSA-N,2,1,0.529,12,808,474.499,5.633,6,0.311,0.8,1.0,0.9288688232472072,0.8513467205811802,0.8444246453293126,0.8399184428757454,0.8661396580083613
EOS-2-31498,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)cc2)nc1,FSOAITNZIHVWAX-UHFFFAOYSA-N,2,1,0.561,12,427,474.499,5.633,6,0.311,0.78,1.0,0.9626396408745117,0.7919093962031389,0.8444332122541293,0.827727708861627,0.8566774895483518
EOS-2-31499,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1-c1ccncc1,AHTWJJQCNMPWQP-UHFFFAOYSA-N,2,1,0.548,12,492,474.499,5.633,6,0.311,0.77,1.0,0.7543262970324173,0.7665255979713522,0.8256802138304434,0.8218679322870263,0.7921000102803099
EOS-2-31500,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccncc6)c5)n34)cc2)nc1,ILFMUQDOSFYSFO-UHFFFAOYSA-N,2,1,0.548,12,427,474.499,5.633,6,0.311,0.73,1.0,0.9221609211157563,0.8042286340895072,0.892587896648619,0.8763878418203002,0.8738413234185456
EOS-2-31501,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)cc5)n34)cc2)nn1,YUFLPQLOTSEWBN-UHFFFAOYSA-N,2,1,0.575,21,47,474.499,5.633,6,0.311,0.83,1.0,0.9334264272496745,0.8544308135151806,0.8645397847988486,0.8558272222602974,0.8770560619560003
EOS-2-31502,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)cc2)cn1,MAWOIVLVXSYXGJ-UHFFFAOYSA-N,2,1,0.489,12,47,474.499,5.633,6,0.291,0.74,1.0,0.760237475155918,0.7617024192995683,0.833116304571311,0.8178671783976423,0.7932308443561098
EOS-2-31503,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1-c1ccccc1,IGZUVGAZRBJTSG-UHFFFAOYSA-N,2,1,0.56,12,994,474.499,5.633,6,0.311,0.77,1.0,0.9434668631348091,0.8803029264615174,0.8867623877732849,0.8806970050030841,0.8978072955931738
EOS-2-31504,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)c1,SIBNJMKJPDPALW-UHFFFAOYSA-N,2,1,0.667,12,492,474.499,5.633,6,0.311,0.79,1.0,0.7746556096223699,0.7617109862243849,0.8807998081008841,0.8750428346240834,0.8230523096429305
EOS-2-31505,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(-c6ccccc6)cn5)c4)n23)cc1,ASPOHIXUVADBLE-UHFFFAOYSA-N,2,1,0.667,12,427,474.499,5.633,6,0.311,0.79,1.0,0.9606949489411281,0.9266157220204235,0.8493763278733466,0.8472945651428964,0.8959953909944486
EOS-2-31506,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cn5)n34)c2)cc1,GJUXEKXWXTZDFV-UHFFFAOYSA-N,2,1,0.619,12,492,474.499,5.633,6,0.311,0.8,1.0,0.6249314646014666,0.7122284284833116,0.8510982797614968,0.8454783770817628,0.7584341374820095
EOS-2-31507,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nc5)n34)cc2)cc1,VCQGFCCZHKEVKI-UHFFFAOYSA-N,2,1,0.593,12,492,474.499,5.633,6,0.311,0.86,1.0,0.9462768144746762,0.8662617366869988,0.8879531903228017,0.8750514015489,0.8938857857583442
EOS-2-31508,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)c5)n34)cc2)nn1,YAYZVALUJGBNPX-UHFFFAOYSA-N,2,1,0.554,21,47,474.499,5.633,6,0.311,0.79,1.0,0.9196850798437393,0.8483739976697965,0.8584915358782811,0.8526831608525803,0.8698084435610993
EOS-2-31509,CCn1c(F)ccc(CCOc2cncc3nnc(-c4ccnc(-c5cn(C)nc5C)c4)n23)c1=O,FYPHTDBDZSWQGO-UHFFFAOYSA-N,2,1,0.5,31,329,474.5,2.837,5,0.334,0.61,1.0,0.2706205880337194,0.1428020697690357,0.15178020697690356,0.13027722568706737,0.1738700226166815
EOS-2-31510,COCCn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)c1C,ZPAKAXCRFAUXOH-UHFFFAOYSA-N,2,1,0.48,65,981,474.5,3.16,5,0.321,0.72,1.0,0.3106709615516414,0.2868549105613049,0.19702213693372628,0.16458775957782196,0.23978394215612364
EOS-2-31511,CCOc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1cnn(CC)c1,JXPBTCFFLIDZCT-UHFFFAOYSA-N,2,1,0.426,31,456,474.5,3.624,5,0.319,0.65,0.645,0.4241998492221232,0.26066582139675143,0.20405558220821055,0.13028579261188403,0.2548017613597423
EOS-2-31512,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(C)c6)cc5)n34)nc2)nn1,ZNGOXFXIHJRVQQ-UHFFFAOYSA-N,2,1,0.313,38,74,474.503,5.128,6,0.35,0.68,1.0,0.27062915495853607,0.41331985470495514,0.7160150092522788,0.6993180727845932,0.5248205229250908
EOS-2-31513,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cccc(-c6cnc(C)nc6)c5F)n34)cc2)cn1,UTKXRSKMRALHSG-UHFFFAOYSA-N,2,1,0.317,42,645,474.503,5.128,6,0.35,0.73,1.0,0.31587965184017547,0.4039305051058872,0.7058118017956274,0.6504694674799534,0.5190228565554109
EOS-2-31514,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)nc6)c(F)c5)n34)cc2)cn1,IYQUIYAMCWOBSS-UHFFFAOYSA-N,2,1,0.338,42,171,474.503,5.128,6,0.35,0.72,1.0,0.3704766636967994,0.4488982934685765,0.7318209855390309,0.6733345898156398,0.5561326331300116
EOS-2-31515,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cc5)n34)c(C)n2)nn1,MSHKHCPJNSMYGQ-UHFFFAOYSA-N,2,1,0.354,93,74,474.503,5.128,6,0.35,0.77,1.0,0.2784421903913371,0.4268384620656569,0.6010725789870468,0.6213247892536495,0.4819195051744226
EOS-2-31516,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(C)c4)n23)c1,KPYMEYFTZPHITG-UHFFFAOYSA-N,2,1,0.523,26,448,425.496,4.0,5,0.392,0.67,1.0,0.45439825920087723,0.20501507778767733,0.4050099376327873,0.29168665615790557,0.33902748269481187
EOS-2-31517,CCn1cc(-c2cccc(-c3nnc4cncc(COc5cccnc5C)n34)c2)c(C)n1,OBNZZPHSAHHTFX-UHFFFAOYSA-N,2,1,0.357,14,351,425.496,4.266,5,0.404,0.78,1.0,0.19703927078335962,0.08657734219724487,0.2793502844219039,0.17001062298677266,0.18324438009732025
EOS-2-31518,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5C(C)C)cc4)n23)cn1,FFMYQRDSUKLZRO-UHFFFAOYSA-N,2,1,0.701,89,448,425.496,4.518,5,0.398,0.77,1.0,0.47081248714961277,0.10898841751764786,0.6304999657323007,0.4090021245973545,0.404825748749229
EOS-2-31519,CCCn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,JZAHONNASVMDIY-UHFFFAOYSA-N,2,1,0.573,15,921,425.496,4.081,5,0.373,0.72,1.0,0.39547495031183605,0.19579706668494276,0.21126036597902817,0.1837348365430745,0.24656680487972038
EOS-2-31520,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)cc2)cc1,ZQKMVBGUJQEHMB-UHFFFAOYSA-N,2,1,0.397,21,810,425.495,6.187,6,0.338,0.86,1.0,0.20822767459392777,0.1870074018230416,0.8701939551778494,0.8903690631211021,0.5389495236789802
EOS-2-31521,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cc2)cc1,RDORHXVIAYPGOX-UHFFFAOYSA-N,2,1,0.365,21,810,425.495,6.187,6,0.338,0.84,1.0,0.18584230004797478,0.18265540401617436,0.8511068466863135,0.884954766636968,0.5261398293468577
EOS-2-31522,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cc2)cc1,ONMHFAQJFJMAIA-UHFFFAOYSA-N,2,1,0.403,21,810,425.495,6.187,6,0.338,0.85,1.0,0.18872935371119184,0.17437975464327324,0.894986635597286,0.9147419642245219,0.5432094270440683
EOS-2-31523,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cc2)cc1,WFDUQVRJUVODON-UHFFFAOYSA-N,2,1,0.328,21,810,425.495,6.187,6,0.338,0.84,1.0,0.10144952367898019,0.13181927215406758,0.847560139812213,0.8876447810294017,0.4921184291686656
EOS-2-31524,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cn5)n34)cc2)cc1,QKBYWJZSJUVBSL-UHFFFAOYSA-N,2,1,0.424,21,452,425.495,6.187,6,0.338,0.86,1.0,0.1887379206360085,0.19580563360975944,0.8556387499143308,0.8890326228497019,0.5323037317524502
EOS-2-31525,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)cc1,LLDRJPOPQOIRKA-UHFFFAOYSA-N,2,1,0.403,21,810,425.495,6.187,6,0.338,0.88,1.0,0.16897402508395587,0.205023644712494,0.857077993283531,0.8849633335617847,0.5290097491604414
EOS-2-31526,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)cc1,FNHKXTWWOAFGAS-UHFFFAOYSA-N,2,1,0.397,21,810,425.495,6.187,6,0.338,0.86,1.0,0.20823624151874442,0.18701596874785828,0.870202522102666,0.8903776300459187,0.538958090603797
EOS-2-31527,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccncc6)c5)n34)cc2)cc1,FMETUOYEOBFVPY-UHFFFAOYSA-N,2,1,0.397,21,810,425.495,6.187,6,0.338,0.76,1.0,0.18016242889452402,0.1620433829072716,0.8962202727708861,0.9147505311493387,0.5382941539305051
EOS-2-31528,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6nc7ccccc7s6)n5)n34)cc2)nc1,GFCQBMGSTBCQBR-UHFFFAOYSA-N,2,1,0.28,30,465,474.513,4.106,7,0.375,0.64,1.0,0.04893427455280652,0.13182783907888423,0.07013741347405936,0.15154033308203688,0.10060996504694675
EOS-2-31529,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)s1,FIYXMFKKXPKPFI-UHFFFAOYSA-N,2,1,0.297,38,865,425.481,3.705,6,0.462,0.6,1.0,0.0415153176615722,0.1120639435268316,0.26815331368651907,0.2530840929340004,0.16870416695223084
EOS-2-31530,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6nccs6)c5)n34)cc2)n[nH]1,KXEOWQRTTKZDID-UHFFFAOYSA-N,2,1,0.287,9,150,425.481,3.799,6,0.461,0.64,1.0,0.011017065314234803,0.07627989856761017,0.2395397847988486,0.23550476321019806,0.1405853779727229
EOS-2-31531,Cn1c(-c2cccs2)nnc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,QADGOZZASSBQLT-UHFFFAOYSA-N,2,1,0.286,8,474,425.481,3.705,6,0.462,0.65,1.0,0.10145809060379686,0.13916969364676857,0.10012165033239669,0.16208621753135494,0.12570891302857926
EOS-2-31532,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)c(F)c2)c1,SXODHPNNIRWFAN-UHFFFAOYSA-N,2,1,0.382,3,653,474.521,5.984,6,0.314,0.68,1.0,0.13349838941813447,0.40851380988280445,0.8256887807552601,0.8834812555685011,0.562795558906175
EOS-2-31533,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)c(F)c1,OKDXSDSNBGXFQU-UHFFFAOYSA-N,2,1,0.321,32,20,474.521,5.984,6,0.314,0.64,0.995,0.2493574806387499,0.45775649372901106,0.7679048728668357,0.8198547049551093,0.5737183880474265
EOS-2-31534,Fc1cc(F)cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccsc6)s5)n34)cc2)c1,ISUBOOFYDFCADS-UHFFFAOYSA-N,2,1,0.378,3,641,474.521,5.984,6,0.314,0.64,1.0,0.22456480021931327,0.39914159413336986,0.7420670276197656,0.829869440065794,0.5489107155095607
EOS-2-31535,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)c(F)cc1-c1csnn1,SLAFQTADCXIYCB-UHFFFAOYSA-N,2,1,0.342,3,923,474.521,5.984,6,0.314,0.71,1.0,0.1770869028853403,0.3364060037009115,0.8715475292988829,0.8959718319512028,0.5702530669590844
EOS-2-31536,CNS(=O)(=O)c1cc(F)cc(-c2cncc3nnc(-c4ccc(-c5ccc(C)nc5)cc4)n23)c1,MPWJLQFLTLMFPH-UHFFFAOYSA-N,2,1,0.322,62,3,474.521,3.876,5,0.415,0.8,1.0,0.11436844630251525,0.2606743883215681,0.6655472551572887,0.6675347817147557,0.4270312178740319
EOS-2-31537,O=C(NCCc1cccs1)c1cccc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)c1,PGTKXTIZTUUCJA-UHFFFAOYSA-N,2,1,0.538,89,92,474.521,3.938,5,0.366,0.8,1.0,0.4242084161469399,0.20994105955726133,0.4014203961346035,0.31676204509629224,0.33808297923377423
EOS-2-31538,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)o1,YXYNWAWVEYGUOK-UHFFFAOYSA-N,2,1,0.315,38,193,425.477,4.575,6,0.411,0.69,1.0,0.11710129531903228,0.10223768076211363,0.33454698101569463,0.3136693852374752,0.2168888355835789
EOS-2-31539,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)s5)n34)cn2)c1,JLEJYYRFZOYRDV-UHFFFAOYSA-N,2,1,0.275,10,195,425.477,4.669,6,0.408,0.69,0.99,0.011839490096634911,0.0020731958056336096,0.42684702899047355,0.41847714344458914,0.2148092145843328
EOS-2-31540,COC(c1cccnc1)c1cncc2nnc(-c3cccc(-c4sncc4C#N)c3)n12,SMAZZGKFONMVIY-UHFFFAOYSA-N,2,1,0.36,14,351,425.477,3.917,5,0.42,0.57,1.0,0.3158882187649921,0.24569940374203275,0.7964841340552395,0.7291052703721472,0.5217942567336029
EOS-2-31541,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)s2)cn1,BTZJZPSUNLQLFD-UHFFFAOYSA-N,2,1,0.311,38,714,425.477,4.575,6,0.411,0.68,1.0,0.0520269344116236,0.07271605784387636,0.39053183469261876,0.3934103214310191,0.22717128709478446
EOS-2-31542,N#Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccs5)n34)c2)nc1,XERUHGDLYBWBGU-UHFFFAOYSA-N,2,1,0.638,15,921,425.477,3.803,5,0.408,0.8,1.0,0.922169488040573,0.8414090877938455,0.43040230278939073,0.4152902474127887,0.6523177815091494
EOS-2-31543,Cc1ccsc1COc1cncc2nnc(-c3ccnc(-c4ccc(C#N)nc4)c3)n12,CSESJLYIUNHURO-UHFFFAOYSA-N,2,1,0.483,75,43,425.477,4.069,5,0.418,0.69,1.0,0.5108971283668015,0.5388081694195052,0.5456103077239394,0.45642862038242754,0.5129360564731684
EOS-2-31544,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccco4)s3)n12,GUFMTZRYVJHZAB-UHFFFAOYSA-N,2,1,0.315,76,979,425.477,4.575,6,0.411,0.64,0.988,0.021451579740936193,0.053594681653073815,0.11650161058186553,0.1811304913988075,0.09316959084367075
EOS-2-31545,Cc1csc(COc2cncc3nnc(-c4ccc(C#N)c(-c5ccccn5)c4)n23)n1,CXDHPONQXWAABF-UHFFFAOYSA-N,2,1,0.523,89,92,425.477,4.069,5,0.418,0.77,1.0,0.5008224247824001,0.5072304845452676,0.42685559591529026,0.39341888835583577,0.45708184839969845
EOS-2-31546,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)cc2)cn1,BGDDJNFUXCIDOM-UHFFFAOYSA-N,2,1,0.603,17,960,474.524,5.563,6,0.301,0.79,1.0,0.5545284764580906,0.3465406757590295,0.8131810705229251,0.7347251730518813,0.6122438489479817
EOS-2-31547,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5F)n34)cc2)cc1,JUJUREZQUHOFAM-UHFFFAOYSA-N,2,1,0.429,21,107,474.524,6.26,6,0.301,0.78,1.0,0.3565896785689809,0.5667791789459256,0.9483842779795765,0.9538756767870605,0.7064072030703858
EOS-2-31548,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Oc6ccccc6)c5)n34)cc2)cn1,ZTJFENNTHYOJLI-UHFFFAOYSA-N,2,1,0.58,17,960,474.524,5.563,6,0.301,0.78,1.0,0.6055359468165308,0.4133284216297718,0.8048283188266739,0.7291138372969639,0.6382016311424852
EOS-2-31549,COc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cc2)c1,COLJMCHZQJQQEB-UHFFFAOYSA-N,2,1,0.557,12,285,474.524,5.232,6,0.315,0.68,1.0,0.4759783428140635,0.39915016105818657,0.787908642313755,0.6909310533890755,0.5884920498937701
EOS-2-31550,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)cc2)n1,MGHSISWSDYSSTJ-UHFFFAOYSA-N,2,1,0.58,17,593,474.524,5.563,6,0.301,0.79,1.0,0.6168100198752656,0.35126961825783015,0.770012336371736,0.6879840312521417,0.6065190014392434
EOS-2-31551,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,LPHNYIKXTGRNNT-UHFFFAOYSA-N,2,1,0.554,12,285,474.524,5.704,6,0.306,0.75,1.0,0.4427044068261257,0.35622130080186415,0.5817113289013776,0.5197638955520526,0.475100233020355
EOS-2-31552,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc6ccccc6c5)n34)c2)cn1,WFUYVEXFSVTYSU-UHFFFAOYSA-N,2,1,0.485,28,891,474.524,4.515,6,0.363,0.72,1.0,0.5109056952916181,0.38459495579466796,0.7007573161537934,0.6793571379617572,0.5689037763004592
EOS-2-31553,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cn(C)nc4OC)n23)cc1OC,JQHOUFNCTSQRLQ-UHFFFAOYSA-N,2,1,0.469,15,460,474.525,3.047,5,0.321,0.64,1.0,0.21104619285861148,0.09604379411966281,0.13977794530875198,0.045815913919539444,0.12317096155164142
EOS-2-31554,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)c(F)n2)cs1,LBAAOUPBWZZBMM-UHFFFAOYSA-N,2,1,0.537,58,28,425.474,3.793,5,0.396,0.65,1.0,0.6195171681173326,0.6341666095538345,0.19355253238297582,0.17821773696114043,0.40636351175382085
EOS-2-31555,N#CC1(n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cn2)COCC2CCC21,MXASHPLRNRYGAP-UHFFFAOYSA-N,2,1,0.295,52,376,474.528,3.992,7,0.388,0.43,1.0,0.12226715098348297,0.12517990542115,0.4837399766979645,0.6329244054554177,0.34102785963950377
EOS-2-31556,COc1ncc(-c2cnn(C)c2C)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,DQACYJXVCHJLTC-UHFFFAOYSA-N,2,1,0.301,30,945,474.528,4.633,6,0.359,0.74,1.0,0.11710986224384895,0.0832191076691111,0.41176924131313825,0.31367795216229183,0.23144404084709752
EOS-2-31557,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(-c6ccccc6)n5)n34)cc2)cn1,AOCXJRWOXNTRPD-UHFFFAOYSA-N,2,1,0.512,40,285,474.528,4.27,6,0.341,0.79,1.0,0.5852237680762113,0.38022582413816736,0.4304108697142074,0.39952710575011996,0.44884689191967647
EOS-2-31558,CCOc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5)n34)nc2)cn1,RXJVQBIHFRFRIS-UHFFFAOYSA-N,2,1,0.323,38,818,474.528,4.715,6,0.345,0.71,1.0,0.19416078404495923,0.15811973134123775,0.5913405523953121,0.4627681447467617,0.3515973031320677
EOS-2-31559,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5C)cn4)n23)cc1,AQLXNVNLVHCUDT-UHFFFAOYSA-N,2,1,0.5,40,932,474.528,4.63,6,0.347,0.55,1.0,0.3704852306216161,0.2764375299842369,0.4874323212939483,0.35803748886299774,0.3730981426906998
EOS-2-31560,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)nc4)n23)cc1,DRFVTXBDYXMUMK-UHFFFAOYSA-N,2,1,0.547,77,755,474.528,4.711,6,0.331,0.71,1.0,0.5239274210129532,0.214901309026112,0.405018504557604,0.377758549790967,0.38040144609690907
EOS-2-31561,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)c1,WLTCKDORLKNOJC-UHFFFAOYSA-N,2,1,0.443,77,323,474.528,4.711,6,0.331,0.71,1.0,0.3612586525940648,0.18702453567267494,0.5558649167294908,0.4811356315536975,0.396320934137482
EOS-2-31562,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncn5)cc4)n23)cc1,BDGCOBYDOMRHMX-UHFFFAOYSA-N,2,1,0.483,77,190,474.528,4.711,6,0.331,0.74,1.0,0.6278699198135838,0.34137482009457887,0.610222054691248,0.5063823589884175,0.5214622883969571
EOS-2-31563,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)cc1,VFWMAOWRGMEPCR-UHFFFAOYSA-N,2,1,0.506,77,755,474.528,4.711,6,0.331,0.75,1.0,0.5157460078130355,0.26608868480570214,0.4487098211226098,0.4090106915221712,0.4098888013158796
EOS-2-31564,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnn(C)c6)cc5)n34)cc2)nn1,FGJZSQYQXSPQHS-UHFFFAOYSA-N,2,1,0.512,77,190,474.528,4.536,6,0.35,0.73,1.0,0.4683452128024124,0.30204406826125696,0.6162446028373655,0.4994174491124666,0.47151283325337534
EOS-2-31565,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccn(C)n5)cn4)n23)cc1,QCMHNRSWIGLNGN-UHFFFAOYSA-N,2,1,0.516,40,25,474.528,4.536,6,0.35,0.65,1.0,0.3332876430676444,0.2712973750942362,0.49391748338016583,0.3808255088753341,0.3698320026043451
EOS-2-31566,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)n1C,VGRFERMNLYESDN-UHFFFAOYSA-N,2,1,0.506,77,755,474.528,4.536,6,0.35,0.76,1.0,0.46608354465081214,0.2507367555342334,0.35311150709341377,0.3259029538756768,0.348958690288534
EOS-2-31567,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)cc1,RYFJLLOVPWYVKA-UHFFFAOYSA-N,2,1,0.473,77,755,474.528,4.711,6,0.331,0.61,1.0,0.5132787334658351,0.27130594201905284,0.35682955246384757,0.34194023713247895,0.3708386162703036
EOS-2-31568,Cn1cc(-c2cnc(CCOc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cn1,QLAXTMGQBXCGAF-UHFFFAOYSA-N,2,1,0.531,12,285,474.528,4.27,6,0.341,0.71,1.0,0.6055445137413474,0.42684702899047355,0.43041943663902404,0.4122061544787883,0.4687542834624083
EOS-2-31569,CC(C)Oc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,UBVQOUUGXQICRM-UHFFFAOYSA-N,2,1,0.333,93,689,474.528,4.888,6,0.339,0.77,1.0,0.0964978411349462,0.16205194983208826,0.40142896305942016,0.412214721403605,0.2680483688575149
EOS-2-31570,Cc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nn1C,VSCVDPXUFYGUCP-UHFFFAOYSA-N,2,1,0.444,12,285,474.528,4.536,6,0.35,0.73,1.0,0.41056130491398807,0.3364145706257282,0.3232386402576931,0.29789767664998973,0.3420280481118497
EOS-2-31571,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6C)cc5)n34)cc2)nn1,DQKQHLZNFZGUKV-UHFFFAOYSA-N,2,1,0.489,77,933,474.528,4.63,6,0.347,0.66,1.0,0.4105698718388047,0.2507453224590501,0.5523610444794737,0.42190391337125627,0.4088950380371462
EOS-2-31572,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)n4)n23)cc1,OVAZLDMMYDKVOA-UHFFFAOYSA-N,2,1,0.473,12,285,474.528,4.711,6,0.331,0.69,1.0,0.4266842574189569,0.24570797066684943,0.33791378246864506,0.32591152080049346,0.33405438283873623
EOS-2-31573,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncccc6C)cn5)n34)cc2)cn1,FIQNUHFIGYWYKI-UHFFFAOYSA-N,2,1,0.412,28,933,474.528,4.63,6,0.347,0.75,0.999,0.3134123774929751,0.12860667534781714,0.5152491261736687,0.3934274552806525,0.3376739085737783
EOS-2-31574,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccccc5)c4)n23)cc1,VUFBDJPDFAIRMS-UHFFFAOYSA-N,2,1,0.478,77,755,474.528,4.711,6,0.331,0.69,1.0,0.5239359879377699,0.26068295524638474,0.41560722363100544,0.3905489685422521,0.39769378383935305
EOS-2-31575,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4cncc(C)n4)cc3)n12,CWQJKBRFQIABRM-UHFFFAOYSA-N,2,1,0.349,9,762,474.528,4.633,6,0.359,0.7,1.0,0.22457336714412995,0.012730450277568365,0.5188472345966691,0.3837553971626345,0.2849766122952505
EOS-2-31576,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nncs6)s5)n34)cc2)no1,SKVMVSVEDNOFFJ-UHFFFAOYSA-N,2,1,0.478,81,609,474.531,4.309,6,0.348,0.72,1.0,0.5058083750257008,0.4534558974710438,0.10803748886299774,0.09517853471317936,0.2906200740182304
EOS-2-31577,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cccs6)n5)n34)cn2)cs1,AZBCOLCWAFFKIU-UHFFFAOYSA-N,2,1,0.418,6,297,474.531,4.309,6,0.348,0.79,1.0,0.3932304160098691,0.4446233979850593,0.05434000411212391,0.04856589678568981,0.2351899287231855
EOS-2-31578,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5nc(-c6cnco6)cs5)n34)ccn2)s1,HUWGFZJFQCDIND-UHFFFAOYSA-N,2,1,0.5,6,597,474.531,4.309,6,0.348,0.65,1.0,0.34280549653896236,0.3991587279830032,0.11062470015763141,0.08755397162634501,0.23503572407648549
EOS-2-31579,CCN=c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cc5)n34)cc2)n[nH]1,YXRYOULRNBRSOQ-UHFFFAOYSA-N,2,1,0.279,9,98,474.532,3.565,6,0.409,0.52,1.0,0.10146665752861353,0.046278527859639505,0.28323110136385443,0.24127887053663216,0.1680637893221849
EOS-2-31580,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ccccc5)nc4C)n23)cc1,NJUIKAZAWJTWET-UHFFFAOYSA-N,2,1,0.556,1,347,425.467,5.188,5,0.388,0.81,1.0,0.9550150777876774,0.819657665684326,0.7608285929682681,0.7133078610102118,0.8122022993626208
EOS-2-31581,Cc1ccc(-c2nnc3cncc(OCCc4cnc(-c5ccccc5)c(F)c4)n23)cc1,OJWQXEGXNTYOSK-UHFFFAOYSA-N,2,1,0.671,79,660,425.467,4.922,5,0.386,0.79,1.0,0.9820865602083476,0.9632821602357617,0.7608371598930848,0.7451082859296827,0.8628285415667192
EOS-2-31582,CCc1nn(C)c(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,LXTZZJYEBBPHDZ-UHFFFAOYSA-N,2,1,0.382,21,107,474.543,6.227,6,0.297,0.75,1.0,0.17709546981015695,0.3705194983208827,0.657494345829621,0.7427181139058323,0.4869568569666232
EOS-2-31583,Cc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5cncc(C)n5)c4)n23)cn1,YMNFTKUPAGIPAV-UHFFFAOYSA-N,2,1,0.483,7,530,425.456,2.672,5,0.405,0.67,1.0,0.5008309917072168,0.29219210472208895,0.09509286546501268,0.06257281886094168,0.23767219518881502
EOS-2-31584,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5nccc(C)n5)n34)c2)nc1,RLRYJTGAFGEPGX-UHFFFAOYSA-N,2,1,0.442,65,131,425.456,2.672,5,0.405,0.71,1.0,0.5033325337536838,0.3071927900760743,0.062024535672674935,0.04075286135288877,0.22832568021383046
EOS-2-31585,CCc1ncncc1-c1cc(-c2nnc3cncc(OCc4ccnc(C)c4)n23)ncn1,LWXOCIPXXVXPRU-UHFFFAOYSA-N,2,1,0.411,31,395,425.456,2.883,5,0.405,0.56,0.829,0.3134209444177918,0.13183640600370092,0.1455434857103694,0.09134911932012885,0.17053748886299774
EOS-2-31586,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncc(C)n5)nc4)n23)nn1,FCNSDLVGZQVQET-UHFFFAOYSA-N,2,1,0.462,87,579,425.456,2.672,5,0.405,0.63,1.0,0.5182903844835858,0.42685559591529026,0.0835360838873278,0.05810088410664108,0.2716957370982112
EOS-2-31587,CCOc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)nc2)c1,STFVORHGLPDUMR-UHFFFAOYSA-N,2,1,0.533,6,119,425.452,3.621,5,0.39,0.78,1.0,0.2923377424439723,0.27644609690905353,0.4117778082379549,0.3042971694880406,0.3212147042697553
EOS-2-31588,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)ccc1=O,OSHOESAVVBETMV-UHFFFAOYSA-N,2,1,0.623,19,56,425.452,2.568,5,0.412,0.7,0.989,0.4660921115756288,0.26069152217120145,0.21434445891302858,0.20029470221369336,0.28535569871838806
EOS-2-31589,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)n1,PSWQNDGDTWAISM-UHFFFAOYSA-N,2,1,0.483,49,769,425.452,3.273,5,0.392,0.75,1.0,0.6027516962511137,0.3656620519498321,0.23954835172366526,0.16209478445617162,0.34251422109519564
EOS-2-31590,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ncccn1,GHDCSRALHMLQES-UHFFFAOYSA-N,2,1,0.627,15,796,425.452,3.273,5,0.392,0.69,1.0,0.6511548214652868,0.40393907203070384,0.2939568912343225,0.1920447536152423,0.38527388458638884
EOS-2-31591,OCc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)cn1,RRAUWGCGDWUXEB-UHFFFAOYSA-N,2,1,0.551,35,393,425.452,2.757,5,0.424,0.77,1.0,0.5291275443766705,0.5112483722842849,0.45253923651566036,0.3648053594681653,0.4644301281611953
EOS-2-31592,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cnccn1,SFSUQRHVBHZOPS-UHFFFAOYSA-N,2,1,0.566,35,604,425.452,3.273,5,0.392,0.69,1.0,0.6138201631142485,0.3413833870193955,0.445248783496676,0.3167706120211089,0.42930573641285724
EOS-2-31593,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cnccn1,VOJBPFSZGJCHEK-UHFFFAOYSA-N,2,1,0.627,15,796,425.452,3.273,5,0.392,0.69,1.0,0.5996076348433966,0.3846035227194846,0.3718559385922829,0.2563138235898842,0.4030952299362621
EOS-2-31594,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)cn1,UNBOFYSIIMXCBL-UHFFFAOYSA-N,2,1,0.649,84,56,425.452,3.273,5,0.392,0.8,1.0,0.639443835240902,0.49325783016928243,0.30840929340004114,0.21237406620519497,0.4133712562538551
EOS-2-31595,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)cn1,ODXCOIYHUPNBHD-UHFFFAOYSA-N,2,1,0.544,35,393,425.452,3.273,5,0.392,0.81,1.0,0.715158316770612,0.5158745116852854,0.4268641628401069,0.2829569597697211,0.48521348776643136
EOS-2-31596,OCc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)c1,TXSUEIJWIGPCFX-UHFFFAOYSA-N,2,1,0.556,87,796,425.452,2.757,5,0.424,0.71,0.997,0.5417637584812556,0.5297443629634706,0.4050270714824207,0.3324566513604277,0.45224796107189363
EOS-2-31597,COc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccccn1,BZWJFAMWGYKLOE-UHFFFAOYSA-N,2,1,0.512,49,501,425.452,3.273,5,0.392,0.68,1.0,0.5365465012679048,0.23516208621753135,0.23572750325543143,0.1645963265026386,0.29300810431087654
EOS-2-31598,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cncnc1,UCKNCERPUKRUQZ-UHFFFAOYSA-N,2,1,0.612,15,796,425.452,3.273,5,0.392,0.66,1.0,0.6055530806661641,0.4268641628401069,0.43807826742512507,0.31677917894592555,0.44681867246933044
EOS-2-31599,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cnccn1,GWUVSHQLITZGEA-UHFFFAOYSA-N,2,1,0.58,35,393,425.452,3.273,5,0.392,0.77,1.0,0.582165375916661,0.3124785826879583,0.47662942910013023,0.3388304434240285,0.42752595778219454
EOS-2-31600,CCOc1ccc(-c2cc(-c3nnc4cncc(OCc5ccncc5)n34)ccn2)cn1,RSKDDOKSUVOJLX-UHFFFAOYSA-N,2,1,0.482,75,183,425.452,3.621,5,0.39,0.79,1.0,0.42669282434377354,0.3465492426838462,0.470032896991296,0.3196662326091426,0.3907352991570146
EOS-2-31601,COc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccccn1,CJQPVQGOTAPGGW-UHFFFAOYSA-N,2,1,0.529,49,769,425.452,3.273,5,0.392,0.65,0.999,0.5182989514084024,0.2764546638338702,0.1771811390583236,0.12407477211979988,0.27400238160509904
EOS-2-31602,Cc1cccnc1COc1cncc2nnc(-c3ccc(-c4ccc(CO)nc4)nc3)n12,HHTCSNZBKFFMBZ-UHFFFAOYSA-N,2,1,0.473,4,205,425.452,3.023,5,0.442,0.7,1.0,0.5239445548625865,0.3991672949078199,0.3905404016174354,0.28586114728257145,0.39987834966760333
EOS-2-31603,Cc1ncccc1-c1cnc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)cn1,VLNMSCLRZPWRFR-UHFFFAOYSA-N,2,1,0.506,89,731,425.452,3.023,5,0.442,0.75,1.0,0.5210660681241861,0.40394763895552055,0.45599170721677745,0.33883901034884517,0.4299611061613323
EOS-2-31604,CCOc1nc(-c2nnc3cncc(OCc4cccnc4)n23)ccc1-c1ccncc1,GMIXGIXWZSPYPD-UHFFFAOYSA-N,2,1,0.449,49,160,425.452,3.621,5,0.39,0.76,0.666,0.39757384689191966,0.1870331025974916,0.3492992255499966,0.24703584401343293,0.2952355047632102
EOS-2-31605,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc([S+](C)[O-])nc4)n23)cc1,KJKHUKQYHNWGTJ-UHFFFAOYSA-N,2,1,0.549,15,187,474.55,2.824,5,0.315,0.53,1.0,0.5340449592214379,0.2922006716469056,0.22860838873278047,0.11489102871633199,0.292436262079364
EOS-2-31606,COc1ccnc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,ZWJGCVYKJYHANP-UHFFFAOYSA-N,2,1,0.612,79,881,425.448,4.566,5,0.378,0.77,1.0,0.5793554245767939,0.42239222808580634,0.6955229250908094,0.5628726612295251,0.5650358097457336
EOS-2-31607,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)nc5)n34)cn2)n[nH]1,PCANSANJVVIYPK-UHFFFAOYSA-N,2,1,0.267,70,719,425.441,2.552,6,0.452,0.64,1.0,0.06585395106572545,0.12861524227263382,0.10270029470221369,0.12408333904461655,0.10531320677129738
EOS-2-31608,c1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nncs6)cn5)n34)cc2)n[nH]1,APGVRYYBNLPENE-UHFFFAOYSA-N,2,1,0.306,98,167,425.441,2.552,6,0.452,0.61,1.0,0.07792474813241039,0.16582996367623878,0.08590055513672812,0.1077290795695977,0.10934608662874375
EOS-2-31609,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)s5)n34)nn2)cn1,ARSVITGVYBGUSD-UHFFFAOYSA-N,2,1,0.261,76,944,425.437,3.422,6,0.418,0.57,0.943,0.04152388458638887,0.09273696114042904,0.12745870742238366,0.16210335138098828,0.10595572613254747
EOS-2-31610,c1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)nc1,FJNVRRKJEWRKGZ-UHFFFAOYSA-N,2,1,0.29,70,935,425.437,3.422,6,0.418,0.66,1.0,0.10887704749503119,0.13917826057158522,0.08590912206154479,0.11939723116989925,0.11334041532451511
EOS-2-31611,c1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cnsc6)o5)n34)cc2)cn1,MKZSEQHSWXSOCA-UHFFFAOYSA-N,2,1,0.307,42,171,425.437,3.422,6,0.418,0.64,0.996,0.13350695634295112,0.15812829826605443,0.19703070385854293,0.24432012884654924,0.1832465218285244
EOS-2-31612,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)s2)nc1,AVHMRBJBJDPUJE-UHFFFAOYSA-N,2,1,0.253,70,557,425.437,3.422,6,0.418,0.63,1.0,0.13627407305873485,0.12862380919745048,0.10804605578781441,0.12822973065588375,0.12529341717497086
EOS-2-31613,c1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncs6)cn5)n34)cc2)o1,KULZAFSQZOPETB-UHFFFAOYSA-N,2,1,0.333,38,340,425.437,3.422,6,0.418,0.66,1.0,0.15008395586320333,0.17858611472825714,0.21126893290384482,0.22663799602494689,0.19164424988006307
EOS-2-31614,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnsn6)cn5)n34)cc2)o1,HSDAOCQCRMVAKR-UHFFFAOYSA-N,2,1,0.324,38,725,425.437,3.422,6,0.418,0.61,1.0,0.10396819957508054,0.0896871359056953,0.22861695565759715,0.26829895140840243,0.17264281063669384
EOS-2-31615,c1coc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cscn6)nc5)n34)nc2)n1,AAYBQSIAPJOHSA-UHFFFAOYSA-N,2,1,0.29,70,392,425.437,3.422,6,0.418,0.69,1.0,0.1362826399835515,0.18266397094099102,0.1192515934480159,0.1302943595367007,0.14212314097731477
EOS-2-31616,Cn1cc(-c2nnc3cncc(-c4ccc5c(cnn5C)c4)n23)c(-c2cc(F)ccn2)n1,RPTZPRXIOWXSEV-UHFFFAOYSA-N,2,1,0.311,50,844,425.431,3.28,6,0.432,0.68,0.998,0.07793331505722706,0.2302789390720307,0.3832413816736344,0.42488520320745665,0.2790847097525872
EOS-2-31617,Cc1ccc(-c2nnc3cncc(Oc4cc(-c5ccc(C#N)cc5)nn4C)n23)c(F)c1,IQXFOYLTQHJSDV-UHFFFAOYSA-N,2,1,0.461,43,230,425.427,4.303,5,0.426,0.77,1.0,0.6195257350421493,0.7489462682475498,0.8089832773627579,0.7631759303680351,0.735157802755123
EOS-2-31618,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(C#N)c5)n34)cc2F)n1,NIQIRWXPJMQLRH-UHFFFAOYSA-N,2,1,0.536,43,230,425.427,3.782,5,0.425,0.75,1.0,0.8570351586594476,0.7746641765471867,0.8601278185182647,0.8178757453224591,0.8274257247618395
EOS-2-31619,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)ccc2F)cn1,IXPMKPCLXGLBAL-UHFFFAOYSA-N,2,1,0.603,43,230,425.427,3.782,5,0.425,0.72,1.0,0.8767219518881503,0.8080409156329244,0.9007264752244535,0.8642827770543485,0.8624430299499691
EOS-2-31620,Cn1cc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)c(-c2ccc(F)cc2)n1,UMYBFEWBZTZMPQ-UHFFFAOYSA-N,2,1,0.608,43,230,425.427,3.782,5,0.425,0.78,1.0,0.7061973134123775,0.757684531560551,0.7901189089164553,0.7779624426016037,0.7579907991227469
EOS-2-31621,Cn1nc(-c2nnc3cncc(OCc4cncs4)n23)cc1-c1ccc(F)c(F)c1,WJPOUXXFPCFLHS-UHFFFAOYSA-N,2,1,0.477,95,998,425.424,3.506,5,0.429,0.71,1.0,0.4195822767459393,0.3705280652456994,0.5689894455486258,0.5820368720444109,0.4852841648961689
EOS-2-31622,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(F)cs4)n23)cc1F,CQHSEXYXPBLHMC-UHFFFAOYSA-N,2,1,0.536,4,554,425.424,3.506,5,0.429,0.66,1.0,0.5881707902131451,0.6106247001576314,0.5523696114042903,0.5229936262079364,0.5685396819957509
EOS-2-31623,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)o4)n23)cn1,ASDFDZDDRBEKDJ-UHFFFAOYSA-N,2,1,0.518,27,69,425.42,5.024,5,0.38,0.65,1.0,0.7663713933246522,0.7833767390857378,0.8601363854430814,0.7779710095264204,0.7969638818449729
EOS-2-31624,CCn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(C#N)n4)n23)nc1,FITNFVULZPWCSD-UHFFFAOYSA-N,2,1,0.374,7,828,425.416,1.705,5,0.394,0.65,1.0,0.19704783770817627,0.16977931601672264,0.06384929065862519,0.056584538414090876,0.12181524569940376
EOS-2-31625,N#Cc1ccc(CCOc2cncc3nnc(-c4cccc(-c5n[nH]c(=N)o5)c4)n23)cn1,VWHPSUIBKSWZSI-UHFFFAOYSA-N,2,1,0.541,15,628,425.412,2.142,5,0.419,0.6,1.0,0.6394524021657186,0.49812384346514976,0.3306233294496608,0.24128743746144884,0.4273717531354945
EOS-2-31626,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)no2)n1C,BWFYAOKQAQTUNL-UHFFFAOYSA-N,2,1,0.311,38,193,425.412,3.205,6,0.418,0.73,1.0,0.15009252278802002,0.07971523541909396,0.05985710369405798,0.06576828181755877,0.08885828592968269
EOS-2-31627,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)no2)n1C,BXGZDZSFMLBHHH-UHFFFAOYSA-N,2,1,0.3,70,968,425.412,3.205,6,0.418,0.71,0.997,0.07794188198204373,0.049756699335206635,0.05053628949352341,0.06114214241655815,0.05984425330683298
EOS-2-31628,COc1nc(-c2nnc3cncc(OCc4c[nH]cn4)n23)ccc1-c1ccc(C#N)nc1,RTKRFVDLFFIFCP-UHFFFAOYSA-N,2,1,0.366,49,122,425.412,2.431,5,0.434,0.63,1.0,0.4060551024604208,0.30720135700089096,0.33063189637447743,0.21238263313001166,0.3140677472414502
EOS-2-31629,COc1ccc(-c2noc(COc3cncc4nnc(-c5cccc(C#N)c5)n34)n2)cc1,LSPJPBDYLRLHBF-UHFFFAOYSA-N,2,1,0.518,1,61,425.408,3.301,5,0.403,0.8,1.0,0.5545370433829073,0.5072390514700843,0.4593670755945446,0.3777671167157837,0.47472757179083
EOS-2-31630,COc1cc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)ccc1-c1cocn1,XPEXVXJBBNQBLQ-UHFFFAOYSA-N,2,1,0.565,97,61,425.408,3.301,5,0.403,0.75,1.0,0.6249400315262833,0.39917586183263654,0.6461346035227195,0.4658265369063121,0.5340192584469878
EOS-2-31631,COc1cc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)ccc1-c1ncco1,XSXZUUSPKPZCSP-UHFFFAOYSA-N,2,1,0.565,97,61,425.408,3.301,5,0.403,0.7,1.0,0.6249485984511,0.38461208964430127,0.5977486121581796,0.4090192584469879,0.5040821396751421
EOS-2-31632,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)cc1,FNKABNJVLXDRGW-UHFFFAOYSA-N,2,1,0.552,77,433,425.408,3.736,5,0.298,0.8,1.0,0.7917723254060722,0.3020526351860736,0.49392605030498254,0.2799328353094373,0.4669209615516414
EOS-2-31633,COc1cc(-c2nnc3cncc(OCc4cccc(C#N)n4)n23)ccc1-c1cocn1,DKAVHFINQVOSPW-UHFFFAOYSA-N,2,1,0.522,1,61,425.408,3.301,5,0.403,0.71,1.0,0.5417723254060722,0.422400795010623,0.5656911794942088,0.4025340963607703,0.48309959906791855
EOS-2-31634,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cn4)n23)cc1,UOUICVRQDYLIRB-UHFFFAOYSA-N,2,1,0.582,40,744,425.408,3.736,5,0.298,0.74,1.0,0.6222243163593997,0.2507538893838668,0.47337399766979643,0.25309265985881707,0.39986121581796996
EOS-2-31635,O=[N+]([O-])c1cccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)c1,PSBIFCQMOCTWTE-UHFFFAOYSA-N,2,1,0.494,97,91,425.408,3.736,5,0.298,0.81,1.0,0.6278784867384004,0.14646014666575286,0.452547803440477,0.23854602152011514,0.3663581145911864
EOS-2-31636,c1cnc2c(c1)OC(COc1cncc3nnc(-c4ccc(-c5cncnc5)cc4)n13)O2,FZXSUMAORDYHBX-UHFFFAOYSA-N,2,1,0.453,15,922,425.408,2.82,6,0.42,0.65,1.0,0.6665752861352888,0.6436330614762524,0.6221386471112329,0.49016517031046536,0.6056280412583098
EOS-2-31637,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccccc5C#N)n34)cc2)o1,VASGYPBIOCXWSI-UHFFFAOYSA-N,2,1,0.518,43,909,425.408,3.301,5,0.403,0.74,1.0,0.7364471249400315,0.557689671715441,0.49734425330683296,0.3777756836406004,0.5423141834007265
EOS-2-31638,COc1cc(-c2nnc3cncc(OCc4cncc(C#N)c4)n23)ccc1-c1ccon1,WLXONIVKXGXKIU-UHFFFAOYSA-N,2,1,0.472,97,591,425.408,3.301,5,0.403,0.71,1.0,0.5655284079226921,0.3754711808649167,0.6709872524158728,0.5197724624768693,0.5329398259200877
EOS-2-31639,c1csc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccsc6)cs5)n34)cc2)n1,QZVUPKHKQVRZCT-UHFFFAOYSA-N,2,1,0.536,40,120,474.596,5.679,6,0.309,0.73,1.0,0.43112192447399084,0.5252724282091701,0.3084178603248578,0.30094750188472347,0.3914399287231855
EOS-2-31640,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C#N)cc5F)n34)cn2)cnc1F,GFKFBBLPRGYOKW-UHFFFAOYSA-N,2,1,0.383,96,478,425.402,4.374,5,0.399,0.84,0.996,0.3844664519224179,0.5527551230210404,0.927660886848057,0.9158727983003221,0.6951888150229594
EOS-2-31641,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)s6)cn5)n34)s2)cs1,ZFFNSMYSLQJTEN-UHFFFAOYSA-N,2,1,0.262,76,272,474.6,5.174,6,0.348,0.6,1.0,0.025743609074086765,0.09903365088067988,0.06385785758344185,0.067515934480159,0.06403776300459188
EOS-2-31642,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(C(F)F)cn3)n12,JOHAIJHSOFWYQQ-UHFFFAOYSA-N,2,1,0.293,96,315,425.399,4.449,5,0.423,0.73,0.995,0.1414142279487355,0.28144061407717086,0.8984990747721198,0.9022428209170036,0.5558991844287574
EOS-2-31643,N#Cc1ccc(-c2nnc3cncc(-c4cc(F)ccc4Oc4ccc(F)cc4)n23)cc1,WBSNWBARIQLGNV-UHFFFAOYSA-N,2,1,0.453,83,533,425.398,5.4,5,0.385,0.82,1.0,0.6879840312521417,0.8158025495168254,0.9774004523336303,0.9811956000274141,0.8655956582825028
EOS-2-31644,N#Cc1ccc(-c2nnc3cncc(-c4ccc(F)cc4Oc4ccc(F)cc4)n23)cc1,FWUVUDIDAHBKLA-UHFFFAOYSA-N,2,1,0.447,83,533,425.398,5.4,5,0.385,0.83,1.0,0.6605013364402714,0.8273593310945103,0.977409019258447,0.9812041669522308,0.8616184634363648
EOS-2-31645,N#Cc1ccc(-c2nnc3cncc(-c4cc(F)c(Oc5ccccc5)cc4F)n23)cc1,HKONVXPCQGHDEN-UHFFFAOYSA-N,2,1,0.436,79,480,425.398,5.4,5,0.385,0.85,1.0,0.6306370365293674,0.8414176547186621,0.9763724213556302,0.9765608937015968,0.8562470015763141
EOS-2-31646,Fc1ccc(Oc2ncccc2-c2nnc3cncc(-c4sccc4F)n23)cc1F,XAQFIVJNTMUEJU-UHFFFAOYSA-N,2,1,0.427,45,573,425.395,5.124,5,0.4,0.72,1.0,0.5442995682269892,0.6829209786854911,0.8995528065245699,0.9091049276951545,0.7589695702830512
EOS-2-31647,Fc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)nn1,ISHOWJKIIUIUHY-UHFFFAOYSA-N,2,1,0.324,98,620,425.391,2.358,6,0.456,0.53,1.0,0.027037214721403604,0.15813686519087108,0.22150640805976288,0.29466794599410595,0.1753371084915359
EOS-2-31648,Fc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)c1,JZRJRQKRFKWEKB-UHFFFAOYSA-N,2,1,0.311,98,620,425.391,2.358,6,0.456,0.64,1.0,0.006185319717634158,0.11811219244739908,0.24300938934959906,0.30430573641285724,0.1679031594818724
EOS-2-31649,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)nc1,JMXXXXJMNQFCDA-UHFFFAOYSA-N,2,1,0.298,56,7,425.391,2.358,6,0.456,0.64,1.0,0.02470701117126996,0.1022462476869303,0.2177712288396957,0.2412960043862655,0.14650512302104038
EOS-2-31650,Fc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)cn1,FSZZIOMWPDZHSW-UHFFFAOYSA-N,2,1,0.283,86,151,425.391,2.358,6,0.456,0.59,0.999,0.013518607360701802,0.1697878829415393,0.23955691864848194,0.28296552669453773,0.17645723391131518
EOS-2-31651,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)n2)cc1,HFXHYXGNGHWEHB-UHFFFAOYSA-N,2,1,0.333,10,952,425.387,3.228,6,0.423,0.77,1.0,0.041532451511205534,0.15814543211568774,0.2572390514700843,0.3580460557878144,0.203740747721198
EOS-2-31652,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3)n12,ASHNXNOKVMZHND-UHFFFAOYSA-N,2,1,0.321,9,340,425.387,3.433,6,0.456,0.68,1.0,0.3206856966623261,0.40852237680762116,0.5253323966828867,0.5335309437324378,0.44701785347131795
EOS-2-31653,N#Cc1ncc(COc2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cn1,SRJHKYMZMQJROQ-UHFFFAOYSA-N,2,1,0.477,46,62,425.387,2.628,5,0.417,0.67,1.0,0.7336029059008978,0.6633198547049551,0.3679322870262491,0.39055753546706873,0.5388531457747927
EOS-2-31654,Fc1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)ccc1-c1nc[nH]n1,OUBOSWJITBTKEB-UHFFFAOYSA-N,2,1,0.325,9,340,425.387,3.433,6,0.456,0.62,1.0,0.3184325954355425,0.4039562058803372,0.5320402988143376,0.539870468096772,0.4485748920567473
EOS-2-31655,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)o2)cc1,WZTORGGGWSSNDY-UHFFFAOYSA-N,2,1,0.382,3,641,425.387,3.433,6,0.456,0.7,1.0,0.26262764717976833,0.44018573093002533,0.37956617092728395,0.43741861421424166,0.37994954081282983
EOS-2-31656,N#Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ncn4)n23)ccn1,CZYCYYPVWKMHMF-UHFFFAOYSA-N,2,1,0.385,46,726,425.387,2.628,5,0.417,0.65,0.997,0.7306901514632308,0.5667877458707422,0.542269207045439,0.49942601603728326,0.5847932801041739
EOS-2-31657,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)nn2)ccc1F,FAXFYHICLGYNRN-UHFFFAOYSA-N,2,1,0.413,54,411,425.387,2.628,5,0.417,0.7,1.0,0.585232335001028,0.6156963196490988,0.552378178329107,0.5435028442190392,0.5742024192995683
EOS-2-31658,Cc1cc2nccnc2cc1-c1nnc2cncc(-c3ccc(-c4nnoc4F)cn3)n12,ANGLHRYWZFMQRC-UHFFFAOYSA-N,2,1,0.273,86,968,425.387,3.294,6,0.42,0.65,0.977,0.2465903639229662,0.31749880063052566,0.2939654581591392,0.3290727160578439,0.29678183469261876
EOS-2-31659,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cn2)cn1,KVDQKRNFHNQLEO-UHFFFAOYSA-N,2,1,0.511,55,282,425.387,2.628,5,0.417,0.73,1.0,0.6422366527311356,0.7446542389143993,0.504386265506134,0.4533959289973271,0.586168271537249
EOS-2-31660,N#Cc1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)n2)nn1,FPESRDBOYDNOSK-UHFFFAOYSA-N,2,1,0.529,4,32,425.387,2.628,5,0.417,0.73,1.0,0.8389675142210952,0.8961089027482695,0.3942670139126859,0.41529881433760535,0.6361605613049139
EOS-2-31661,N#Cc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)n2)cn1,GPGLGQOLVFBYRK-UHFFFAOYSA-N,2,1,0.523,4,32,425.387,2.628,5,0.417,0.65,1.0,0.8315142896305942,0.8828301692824344,0.4766379960249469,0.4963761908025495,0.6718396614351312
EOS-2-31662,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)c1,GIOBXRMKBOTFTE-UHFFFAOYSA-N,2,1,0.326,3,39,425.387,3.228,6,0.423,0.71,1.0,0.05879480501679117,0.17438832156808992,0.4343430882050579,0.490173737235282,0.28942498800630523
EOS-2-31663,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nn2)ccn1,UXQVWHZAQUDCFN-UHFFFAOYSA-N,2,1,0.313,38,620,425.387,3.228,6,0.396,0.65,1.0,0.045764512370639436,0.12150469467479953,0.42331745596600645,0.4345144267013913,0.25627527242820913
EOS-2-31664,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nn1,KXYYWZLWQKCEQD-UHFFFAOYSA-N,2,1,0.31,3,39,425.387,3.228,6,0.423,0.66,1.0,0.04720375573983963,0.20050887533411008,0.4085309437324378,0.4690648344870125,0.28132710232335
EOS-2-31665,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nn4)n23)n1,AXVBWNGKKRJLRI-UHFFFAOYSA-N,2,1,0.446,54,670,425.387,2.628,5,0.417,0.59,0.395,0.5881793571379618,0.5818998012473443,0.4560002741415941,0.45340449592214377,0.519870982112261
EOS-2-31666,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cc1,DBDAIZWEVGUJSW-UHFFFAOYSA-N,2,1,0.529,7,408,425.387,2.628,5,0.417,0.7,1.0,0.8660903981906655,0.8544393804399972,0.43435165512987456,0.44055410869714207,0.6488588856144198
EOS-2-31667,N#Cc1cncc(COc2cncc3nnc(-c4ncc(-c5cncc(F)c5)cn4)n23)c1,CHFRZNQWTBUZFD-UHFFFAOYSA-N,2,1,0.4,2,346,425.387,2.628,5,0.417,0.68,1.0,0.7183537797272291,0.5435114111438558,0.5621359056952916,0.5565074360907408,0.5951271331642793
EOS-2-31668,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,POVKCAITKADEAQ-UHFFFAOYSA-N,2,1,0.325,9,7,425.387,3.433,6,0.456,0.67,1.0,0.32069426358714276,0.36567061887464875,0.5422777739702557,0.5435114111438558,0.4430385168939758
EOS-2-31669,Fc1ccc(-n2nnnc2-c2cncc3nnc(-c4conc4-c4ccccc4)n23)cc1,UYVBAGPBHRCABI-UHFFFAOYSA-N,2,1,0.343,3,298,425.387,3.228,6,0.423,0.69,1.0,0.0415410184360222,0.10899698444246453,0.22485607566307997,0.39640874511685287,0.1929507059146049
EOS-2-31670,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3ccc(-c4ccco4)cn3)n12,DTYJWLMEKDTBRL-UHFFFAOYSA-N,2,1,0.346,32,572,425.383,4.302,6,0.411,0.66,1.0,0.3774929751216503,0.4313703652936742,0.6368052223973683,0.6388355835789186,0.5211260365979029
EOS-2-31671,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)o2)cc1,MNZWEOMLHUCOIW-UHFFFAOYSA-N,2,1,0.397,3,641,425.383,4.302,6,0.411,0.75,1.0,0.35659824549379754,0.47978205743266394,0.5725361524227264,0.6155421150023987,0.5061146425878966
EOS-2-31672,Fc1cc(-c2cnco2)ccc1-c1nnc2cncc(-c3cccc(-c4nnco4)c3)n12,BDMREUPPGPZPLU-UHFFFAOYSA-N,2,1,0.342,69,38,425.383,4.302,6,0.411,0.67,1.0,0.3932389829346858,0.4577650606538277,0.6982386402576931,0.6993266397094099,0.5621423308889042
EOS-2-31673,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)o2)c1,RIJFWSYBGDRCNU-UHFFFAOYSA-N,2,1,0.385,3,641,425.383,4.302,6,0.411,0.79,1.0,0.3207028305119594,0.44019429785484204,0.5558734836543074,0.602923034747447,0.479923411692139
EOS-2-31674,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)o1,YMNHDPMRSUFPRJ-UHFFFAOYSA-N,2,1,0.368,93,641,425.383,4.302,6,0.411,0.78,1.0,0.3498646425878966,0.45777362757864437,0.5353899664176547,0.5912206154478789,0.4835622130080186
EOS-2-31675,Fc1cc(-c2ncco2)ccc1-c1nnc2cncc(-c3ccc(-c4ncon4)cc3)n12,PUXICTPQCXNMGR-UHFFFAOYSA-N,2,1,0.347,69,867,425.383,4.302,6,0.411,0.76,1.0,0.37975464327325065,0.4180316633541224,0.6368137893221849,0.629874580220684,0.5161186690425605
EOS-2-31676,Fc1cc(-c2ncco2)ccc1-c1nnc2cncc(-c3ccc(-c4ncccn4)o3)n12,RFAIXIJMXIPCCU-UHFFFAOYSA-N,2,1,0.329,32,557,425.383,4.302,6,0.411,0.68,1.0,0.3820334452744843,0.457782194503461,0.5287934343088205,0.5165598656706188,0.47129223493934613
EOS-2-31677,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)ccc1-c1cocn1,IUSXKKPTGPDKMH-UHFFFAOYSA-N,2,1,0.346,69,152,425.383,4.302,6,0.411,0.69,1.0,0.37272119799876635,0.42240936193543965,0.7033359605236105,0.6993352066342265,0.5494504317730108
EOS-2-31678,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cccnc3-c3ccco3)n12,DFOIOEQTLHIHMB-UHFFFAOYSA-N,2,1,0.313,32,693,425.383,4.302,6,0.411,0.63,1.0,0.35435371119183057,0.3754797477897334,0.5656997464190254,0.5912291823726955,0.47169059694332127
EOS-2-31680,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccc1F,AINAYZYTSIOSSU-UHFFFAOYSA-N,2,1,0.803,48,40,425.37,4.025,4,0.445,0.8,1.0,0.9972585840586663,0.9987063943526832,0.9818552532382976,0.9704098416832294,0.9870575183332192
EOS-2-31681,c1noc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)cc2)n1,GRQUJBXJBJLGSA-UHFFFAOYSA-N,2,1,0.416,38,870,425.368,3.079,6,0.402,0.68,1.0,0.5239531217874032,0.35127818518264686,0.23229216640394765,0.1945891302857926,0.3255281509149476
EOS-2-31682,Cn1ncnc1COc1cncc2nnc(-c3ccc(-c4cn(C(F)F)nn4)nc3)n12,RPDDTMGKJIHUSX-UHFFFAOYSA-N,2,1,0.383,92,105,425.363,1.547,5,0.398,0.55,1.0,0.32071139743677607,0.3656791857994654,0.10805462271263107,0.08560071276814475,0.22001147967925433
EOS-2-31683,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4cn(C(F)F)nn4)cc3)n12,UXBHXZLZWJYNKV-UHFFFAOYSA-N,2,1,0.453,36,447,425.363,1.547,5,0.398,0.64,1.0,0.3909858817079021,0.4577907614282777,0.10806318963744774,0.10773764649441436,0.2661443698170105
EOS-2-31684,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5nnn(C(F)F)n5)n34)nc2)n[nH]1,FPHHQNDYORWTTH-UHFFFAOYSA-N,2,1,0.364,36,105,425.363,1.845,5,0.432,0.52,0.557,0.28120930710712083,0.2922092385717223,0.05986567061887465,0.047212322664656296,0.1701241347405935
EOS-2-31685,FC(F)n1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnoc4)n23)cn1,VTEJMVIUGQLBKP-UHFFFAOYSA-N,2,1,0.489,65,779,425.359,2.449,5,0.387,0.59,1.0,0.4808357891851141,0.3942413131382359,0.3345555479405113,0.2946765129189226,0.37607729079569596
EOS-2-31686,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)no1,POJPPMQMNDCIOW-UHFFFAOYSA-N,2,1,0.571,36,728,425.359,2.486,5,0.404,0.72,1.0,0.45889589472962783,0.43137893221849083,0.31226440956754165,0.3196747995339593,0.38055350901240487
EOS-2-31687,Cc1occc1-c1nnc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)o1,XOZOTUQXQZWCAN-UHFFFAOYSA-N,2,1,0.472,27,69,425.355,3.654,5,0.402,0.72,1.0,0.5655369748475088,0.5484716606127065,0.4268727297649236,0.3259200877253101,0.4667003632376122
EOS-2-31688,Cn1cc(-c2cc(-c3cncc4nnc(-c5c(F)cccc5F)n34)c(F)cc2F)nn1,QVUDMDOBNGCCNB-UHFFFAOYSA-N,2,1,0.338,45,730,425.349,3.81,5,0.411,0.67,0.999,0.23008189980124735,0.36090740867658144,0.9215783702282229,0.9400743609074087,0.613160509903365
EOS-2-31689,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(C(F)F)n5)n34)cc2)cc1F,IDSARUHRVDPCFQ-UHFFFAOYSA-N,2,1,0.368,61,316,425.349,4.39,5,0.4,0.71,1.0,0.2812178740319375,0.5158830786101021,0.9341974504831746,0.9391748338016586,0.6676183092317183
EOS-2-31690,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nn2)c1,OFQQODHAQWGBNX-UHFFFAOYSA-N,2,1,0.333,22,331,425.349,4.197,5,0.405,0.77,1.0,0.09875094236172983,0.39918442875745325,0.9821465286820643,0.9745905009937633,0.6136681001987527
EOS-2-31691,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)cn1,OBPSYVDODZRWDA-UHFFFAOYSA-N,2,1,0.354,96,315,425.349,4.197,5,0.32,0.81,1.0,0.05203550133644027,0.322416215475293,0.9879549037077651,0.9757984373929134,0.5845512644781029
EOS-2-31692,Cc1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)cc(F)c5F)n4)n23)cc1F,QYRVVMQJOFQVMD-UHFFFAOYSA-N,2,1,0.326,45,730,425.349,3.904,5,0.324,0.74,1.0,0.1608440134329381,0.3846206565691179,0.9111095881022548,0.9274381468028237,0.5960031012267837
EOS-2-31693,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)cc1,RJWIUVCOJWEKTE-UHFFFAOYSA-N,2,1,0.364,22,331,425.349,4.197,5,0.405,0.78,1.0,0.13629120690836818,0.45346446439586047,0.9780686724693304,0.9678911657871291,0.633928877390172
EOS-2-31694,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncc(C(F)(F)F)n4)n23)cn1,UWVXPWNZRCNZFQ-UHFFFAOYSA-N,2,1,0.291,50,542,425.338,1.853,5,0.426,0.65,0.475,0.11133575491741485,0.209949626482078,0.4014375299842369,0.32908128298266054,0.26295104859159757
EOS-2-31695,Cc1cc(-c2nnc3cncc(-c4cnnc(-c5cc(F)cnn5)n4)n23)n(C(F)F)n1,NZNKAAQLYDPMDU-UHFFFAOYSA-N,2,1,0.24,50,542,425.338,2.139,5,0.426,0.5,0.216,0.1014752244534302,0.14281063669385238,0.1771897059831403,0.22079535329997943,0.1605677301076006
EOS-2-31696,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)nc1,OATMGJOFRAVMNW-UHFFFAOYSA-N,2,1,0.506,34,391,425.334,2.158,5,0.422,0.63,1.0,0.447287711603043,0.5870570899869783,0.3642656432047152,0.48441676375848125,0.4707568021383044
EOS-2-31697,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)cc1F,KSDFOCUOGBCCBC-UHFFFAOYSA-N,2,1,0.523,47,6,425.334,2.363,5,0.456,0.65,1.0,0.6967908299636763,0.7533668014529504,0.695531492015626,0.702187992598177,0.7119692790076074
EOS-2-31698,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)c1,QVJHAWAWPVWSMM-UHFFFAOYSA-N,2,1,0.506,47,6,425.334,2.363,5,0.426,0.67,1.0,0.8916883695428689,0.8158111164416421,0.687281543417175,0.6909396203138921,0.7714301624288945
EOS-2-31699,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)c(F)c1,ZVJNVQCRCFTZIX-UHFFFAOYSA-N,2,1,0.506,47,6,425.334,2.363,5,0.456,0.68,1.0,0.7486978274278665,0.7212322664656295,0.6277414159413337,0.6559951339867042,0.6884166609553835
EOS-2-31700,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)n4)n23)c1F,TWTXORDWPHMURB-UHFFFAOYSA-N,2,1,0.381,46,564,425.334,2.363,5,0.426,0.52,1.0,0.7275803577547804,0.581908368172161,0.588067987115345,0.5820454389692276,0.6199005380028785
EOS-2-31701,Fc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1nn[nH]n1,PAWFPPYGAWRACL-UHFFFAOYSA-N,2,1,0.5,47,6,425.334,2.363,5,0.456,0.65,1.0,0.8727640326228497,0.7617195531492016,0.7344852991570145,0.7373723528202316,0.7765853094373243
EOS-2-31702,Fc1cc(-c2nnc3cncc(OCc4noc(-c5ccc(F)c(F)c5)n4)n23)ccn1,HPGWPZZAULNJKH-UHFFFAOYSA-N,2,1,0.483,73,756,425.33,3.233,5,0.396,0.73,1.0,0.7833424713864711,0.6731032828455897,0.6766585566445069,0.6993437735590432,0.7081120211089027
EOS-2-31703,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)no2)nc1,JSZAYHHLABATBK-UHFFFAOYSA-N,2,1,0.523,73,446,425.33,3.233,5,0.423,0.7,1.0,0.6278870536632171,0.707499485984511,0.5657083133438421,0.6388441505037352,0.6349847508738263
EOS-2-31704,Fc1ccccc1-c1nc(-c2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)no1,MQKUSTQWXHCISX-UHFFFAOYSA-N,2,1,0.347,96,121,425.33,3.644,5,0.42,0.82,0.999,0.5821739428414776,0.6245373860599,0.7216177780823796,0.734733739976698,0.6657657117401138
EOS-2-31705,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)c(F)c1F,LZOVCTYVSQVQHF-UHFFFAOYSA-N,2,1,0.449,59,445,425.33,3.233,5,0.396,0.67,1.0,0.7833510383112878,0.6341751764786512,0.8277105750119937,0.7964070317318895,0.7604109553834555
EOS-2-31706,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)cc1F,DFZUXMGUUXZRBQ-UHFFFAOYSA-N,2,1,0.58,59,294,425.33,3.233,5,0.396,0.63,0.997,0.8549191282297307,0.7167517647865123,0.7700209032965527,0.7631844972928518,0.7762190734014118
EOS-2-31707,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)no2)c1,DMXRFFQQHGWWMH-UHFFFAOYSA-N,2,1,0.512,73,756,425.33,3.233,5,0.423,0.76,1.0,0.8135837159893085,0.7489548351723665,0.6629172092385717,0.704715235419094,0.7325427489548351
EOS-2-31708,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)c1,FYKAEGZSFKEBPI-UHFFFAOYSA-N,2,1,0.444,34,223,425.33,3.233,5,0.396,0.62,0.999,0.7487063943526832,0.6487303817421698,0.7493146460146666,0.758095743951751,0.7262117915153177
EOS-2-31709,FC(F)(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnco5)nc4)n23)cn1,IMLJMTSVMJWFJC-UHFFFAOYSA-N,2,1,0.488,27,69,425.33,4.047,5,0.425,0.76,1.0,0.8969398944554863,0.8345469810156946,0.92518504557604,0.8049910903981906,0.8654157528613529
EOS-2-31710,FC(F)(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)nc4)n23)cc1,DXOQCZBTZIMMJM-UHFFFAOYSA-N,2,1,0.562,72,51,425.33,4.047,5,0.425,0.78,1.0,0.9425073675553424,0.8483825645946131,0.9455914604893427,0.8807055719279008,0.9042967411417998
EOS-2-31711,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(OC(F)F)nc3)n12,CEKPPSZETXWNOG-UHFFFAOYSA-N,2,1,0.326,96,121,425.33,3.644,5,0.42,0.75,1.0,0.672734905078473,0.7489634020971832,0.8780241244602838,0.8454869440065794,0.7863023439106298
EOS-2-31712,Fc1cc(F)cc(-c2nnc3cncc(OCc4cc(-c5nnco5)c(F)cn4)n23)c1,GNELDQDRVXXWQW-UHFFFAOYSA-N,2,1,0.654,73,712,425.33,3.233,5,0.423,0.66,1.0,0.6222328832842163,0.6341837434034678,0.7630731272702351,0.7683246521828524,0.6969536015351929
EOS-2-31713,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)c(F)c1,HBVMXEBGHRLRQT-UHFFFAOYSA-N,2,1,0.477,34,526,425.33,3.233,5,0.423,0.69,1.0,0.7634072373380851,0.7258669727914467,0.7539579192653005,0.7477897333972997,0.7477554656980331
EOS-2-31714,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnno5)c(F)n4)n23)cc1F,ZVVGZEYUPRJOBP-UHFFFAOYSA-N,2,1,0.595,59,294,425.33,3.233,5,0.396,0.58,1.0,0.7663799602494689,0.6388698512781852,0.829715235419094,0.819863271879926,0.7637070797066684
EOS-2-31715,Fc1cc(F)cc(-c2nnc3cncc(OCc4noc(-c5ccc(F)nc5)n4)n23)c1,NBNUOVVXEGQOMT-UHFFFAOYSA-N,2,1,0.536,73,756,425.33,3.233,5,0.396,0.63,1.0,0.5940819683366458,0.6292577616338839,0.6277499828661504,0.6704732369268728,0.6303907374408882
EOS-2-31716,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cccnc5)n4)n23)c(F)c1F,MMHIARSTYQINHD-UHFFFAOYSA-N,2,1,0.438,73,756,425.33,3.233,5,0.396,0.78,1.0,0.6027602631759303,0.6436416284010692,0.6544530875197039,0.6675433486395723,0.6420995819340689
EOS-2-31717,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(F)nc5)n4)n23)c(F)c1,UGYTUAQKIPLHKD-UHFFFAOYSA-N,2,1,0.517,73,446,425.33,3.233,5,0.396,0.68,1.0,0.6571002672880543,0.7075080529093277,0.6305085326571174,0.6733431567404564,0.6671150023987389
EOS-2-31718,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)no4)n23)c(F)c1F,LLDNQNQCDBYARA-UHFFFAOYSA-N,2,1,0.5,73,877,425.33,3.233,5,0.396,0.76,1.0,0.6665838530601056,0.7167603317113289,0.5785587005688438,0.612646494414365,0.6436373449386608
EOS-2-31719,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cc(F)cc(F)c5)n4)n23)nc1,QTMXWIMDPPQGJW-UHFFFAOYSA-N,2,1,0.422,46,756,425.33,3.233,5,0.423,0.7,1.0,0.47598690973888014,0.4623654992803783,0.572544719347543,0.6388527174285519,0.5374374614488384
EOS-2-31720,Fc1ccc(F)c(-c2nnc3cncc(OCc4ncc(-c5nnco5)cc4F)n23)c1,MISJLPBNEHQSKH-UHFFFAOYSA-N,2,1,0.483,34,712,425.33,3.233,5,0.423,0.76,1.0,0.6908710849153588,0.6683229387978891,0.7420755945445823,0.7581043108765677,0.7148434822835994
EOS-2-31721,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)cc1F,NBQYDILWICPEPE-UHFFFAOYSA-N,2,1,0.536,34,712,425.33,3.233,5,0.423,0.65,1.0,0.8030292646151738,0.7617281200740182,0.8149972585840587,0.7941025289562059,0.7934642930573642
EOS-2-31722,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4nnco4)cn3)n12,BCXDUHGCYULARL-UHFFFAOYSA-N,2,1,0.422,96,121,425.33,3.644,5,0.42,0.73,1.0,0.7804639846480708,0.8636573915427318,0.867443972311699,0.8454955109313961,0.8392652148584744
EOS-2-31723,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5nnco5)c(F)cn4)n23)cc1F,VLYPZRZXBCHFIU-UHFFFAOYSA-N,2,1,0.535,34,391,425.33,3.233,5,0.423,0.66,1.0,0.8315228565554109,0.8447673223219793,0.7988828730039065,0.7917894592557055,0.8167406277842505
EOS-2-31724,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5nnco5)c(F)cn4)n23)c(F)c1,KDDXJIBRFJGRKG-UHFFFAOYSA-N,2,1,0.529,34,10,425.33,3.233,5,0.423,0.62,1.0,0.7364556918648482,0.7875830991707217,0.7655575354670687,0.7708004934548695,0.765099204989377
EOS-2-31725,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)o2)ccn1,RAPNVPBZBMZTIF-UHFFFAOYSA-N,2,1,0.506,96,121,425.33,3.644,5,0.393,0.75,1.0,0.6879925981769583,0.8236155849496265,0.8089918442875745,0.7964155986567062,0.7792539065177164
EOS-2-31726,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)nc5)n4)n23)c(Cl)c1,LGAKHBLKZWAGAQ-UHFFFAOYSA-N,2,1,0.517,73,446,474.695,4.776,5,0.335,0.76,1.0,0.6195343019669659,0.7400623672126654,0.630517099581934,0.7895277911041053,0.6949103899664176
EOS-2-31727,Clc1cncc(-c2nnc3cncc(-c4cccc(-c5ncc(Cl)s5)c4)n23)c1,PMFVMNGTBBFJRQ-UHFFFAOYSA-N,2,1,0.333,96,575,425.304,5.284,5,0.393,0.72,1.0,0.1308512096497841,0.2607000890960181,0.7291566719210473,0.8508155712425468,0.4928808854773491
EOS-2-31728,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)c(Cl)c1,WDTFIOISFDOISC-UHFFFAOYSA-N,2,1,0.402,96,558,425.304,5.284,5,0.393,0.85,1.0,0.1414227948735522,0.47519018573093,0.8475687067370297,0.9274467137276403,0.597907100267288
EOS-2-31729,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccnnc5Cl)n34)s2)c1,ZNCKYBHKZDFXMY-UHFFFAOYSA-N,2,1,0.354,22,140,425.304,5.284,5,0.393,0.66,1.0,0.18874648756082515,0.3896066068124186,0.7420841614693989,0.8807141388527174,0.5502878486738401
EOS-2-31730,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)nn5)nn4)n23)c(Cl)c1,BEYMMORFWBYISK-UHFFFAOYSA-N,2,1,0.517,36,10,474.699,3.701,5,0.379,0.44,1.0,0.372729764923583,0.6436501953258859,0.4380868343499417,0.6446610924542526,0.5247819717634159
EOS-2-31731,Cn1nc(-c2nc(Cl)cnc2Cl)cc1Oc1cncc2nnc(-c3ccc(Cl)cn3)n12,UNAGWHSNCBONFX-UHFFFAOYSA-N,2,1,0.344,46,915,474.699,4.129,5,0.382,0.58,0.999,0.41267733534370504,0.4838941813446645,0.32324720718250977,0.49018230416009867,0.4275002570077445
EOS-2-31732,Fc1cnc(COc2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)cc1F,LQPHCCDRCHRNQA-UHFFFAOYSA-N,2,1,0.543,23,255,425.292,4.201,4,0.459,0.64,1.0,0.942515934480159,0.94989205674731,0.9982951819614831,0.9966160646974163,0.9718298094715921
EOS-2-31733,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(OCc3cnc(F)c(F)c3)n12,YCYPLFAELFPMRC-UHFFFAOYSA-N,2,1,0.557,90,255,425.292,4.201,4,0.362,0.74,1.0,0.9512284970187102,0.9570540058940443,0.9986292920293331,0.9971900486601329,0.9760254609005551
EOS-2-31734,Fc1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)c(F)cn4)n23)cc1F,WQEBUDFUSKYKJS-UHFFFAOYSA-N,2,1,0.603,23,255,425.292,4.201,4,0.459,0.75,1.0,0.9620056884380783,0.970032896991296,0.9983037488862998,0.9965560962236996,0.9817246076348435
EOS-2-31735,OCc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1,RLEAMGQLDWKMPY-UHFFFAOYSA-N,2,1,0.846,48,231,425.286,3.668,4,0.511,0.85,1.0,0.9775289562058803,0.9632907271605784,0.8297238023439106,0.7870690836817216,0.8894031423480229
EOS-2-31736,Cn1cc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(-c2cc(Cl)nc(Cl)c2)n1,JZXSBWJBSPUWNM-UHFFFAOYSA-N,2,1,0.382,45,575,474.714,5.353,5,0.329,0.64,1.0,0.15543828387362071,0.4666061270646289,0.9030224110753204,0.9531646220272771,0.6195578610102117
EOS-2-31737,Cc1nc(-c2ncc(Cl)cn2)c(-c2nnc3cncc(-c4ccoc4Br)n23)s1,BDUSMQJDWQUYPL-UHFFFAOYSA-N,2,1,0.316,50,489,474.731,4.689,5,0.374,0.61,1.0,0.1442670139126859,0.1911366595846755,0.11063326708244808,0.24130457131108218,0.1718353779727229
EOS-2-31738,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)ccc1Cl,YVLWOFKVZJUTMD-UHFFFAOYSA-N,2,1,0.423,45,102,425.254,5.09,5,0.404,0.81,1.0,0.10397676649989719,0.5158916455349187,0.9554519909533274,0.9799105613049139,0.6388077410732643
EOS-2-31739,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,QXXRYKJHVRMWFW-UHFFFAOYSA-N,2,1,0.411,45,46,425.254,5.09,5,0.404,0.85,1.0,0.11134432184223152,0.5112569392091015,0.9461825783016928,0.9762182167089302,0.636250514015489
EOS-2-31740,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cnn(-c4ccc(Cl)cc4)c3)n12,WPPVHBKFTVAMQU-UHFFFAOYSA-N,2,1,0.391,45,730,425.254,5.09,5,0.404,0.72,1.0,0.062495716537591665,0.43138749914330754,0.9437067370296758,0.9758070043177302,0.6033492392570763
EOS-2-31741,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cnn(-c4cccc(Cl)c4)c3)n12,LKFDBNOLQNSVDD-UHFFFAOYSA-N,2,1,0.393,45,730,425.254,5.09,5,0.404,0.73,1.0,0.057149955451990954,0.44463196490987594,0.939603180042492,0.97459906791858,0.6039960420807348
EOS-2-31742,Fc1cc(Cl)cc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)c4)n23)c1,YUKFYYZTXYQTSE-UHFFFAOYSA-N,2,1,0.435,45,730,425.254,5.09,5,0.404,0.73,1.0,0.023661846343636488,0.29725515728873964,0.9431070522925091,0.9749160441367967,0.5597350250154205
EOS-2-31743,Fc1cc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)c4)n23)ccc1Cl,JZSOCNWHYQDBGT-UHFFFAOYSA-N,2,1,0.384,45,102,425.254,5.09,5,0.404,0.76,1.0,0.08662874374614489,0.462374066205195,0.9541840860804606,0.9792337742443973,0.6206051675690494
EOS-2-31744,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(Br)cc4)n23)cc1,AEHOJTWWVGVSEH-UHFFFAOYSA-N,2,1,0.699,48,17,425.242,3.831,4,0.523,0.87,1.0,0.8135922829141251,0.3175073675553423,0.7420927283942156,0.6184120348159825,0.6229011034199163
EOS-2-31745,Oc1ccc(Cl)cc1-n1nnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,USGTVLQRIMRQDC-UHFFFAOYSA-N,2,1,0.405,22,990,425.239,3.446,5,0.472,0.71,1.0,0.18875505448564184,0.5435199780686725,0.40853951065725447,0.6531166472483038,0.4484827976149681
EOS-2-31746,Cc1nc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2Cl)no1,SQPOFFIJSNHRGP-UHFFFAOYSA-N,2,1,0.423,22,844,425.239,3.914,5,0.428,0.79,1.0,0.2677849359194024,0.5435285449934891,0.2286255225824138,0.4564371873072442,0.37409404770063737
EOS-2-31747,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1,LSBKQJOGSMSNAF-UHFFFAOYSA-N,2,1,0.538,13,499,425.239,4.071,5,0.463,0.78,1.0,0.622241450209033,0.7955417723254061,0.7266122952504969,0.8160424234116921,0.740109485299157
EOS-2-31748,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5ncno5)cc4)n23)c1,XBYYQDYBASDBOR-UHFFFAOYSA-N,2,1,0.538,13,15,425.235,4.94,5,0.403,0.78,1.0,0.727588924679597,0.7919179631279556,0.8412034815982455,0.8792491947090673,0.8099898910287163
EOS-2-31749,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5ccoc5)ncn4)n23)c1,FTFAYTMSQUGSNV-UHFFFAOYSA-N,2,1,0.411,44,971,425.235,4.94,5,0.403,0.71,0.985,0.5765369063121102,0.5667963127955589,0.8010588719073402,0.8642913439791653,0.7021708587485436
EOS-2-31750,FC(F)(F)c1nc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)no1,NSKVNYPLHCRMJD-UHFFFAOYSA-N,2,1,0.413,44,488,474.79,3.883,5,0.374,0.69,1.0,0.5996162017682133,0.6245459529847166,0.7216263450071962,0.6531252141731204,0.6497284284833116
EOS-2-31751,Fc1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4OC(F)F)n23)cc1Cl,DRNQLDDZEYNCIH-UHFFFAOYSA-N,2,1,0.434,23,102,425.197,5.506,4,0.433,0.82,1.0,0.8505157288739634,0.9487954903707765,0.9966160646974163,0.9994260160372832,0.9488383249948599
EOS-2-31752,FC(F)(F)Oc1cccc(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1,SDOZVECNXZKDFX-UHFFFAOYSA-N,2,1,0.447,23,444,425.197,5.664,4,0.425,0.86,1.0,0.7663885271742855,0.9540555822082105,0.9986378589541498,0.9996573230073333,0.9296848228359947
EOS-2-31753,Fc1cc(OC(F)(F)F)cc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)c1,JIFBNTOJRVEXFZ-UHFFFAOYSA-N,2,1,0.352,45,315,474.805,5.335,5,0.329,0.72,0.998,0.11711842916866562,0.5388167363443218,0.9933692001918991,0.9936947433349325,0.6607497772599548
EOS-2-31754,COc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C(F)F)n2)o1,WDYBZIMGEVQVFG-UHFFFAOYSA-N,2,1,0.523,36,32,474.815,3.674,5,0.348,0.7,0.997,0.6541789459255706,0.8345555479405112,0.3980535946816531,0.37778425056541703,0.566143084778288
EOS-2-31755,Clc1cnc(-c2nnco2)cc1COc1cncc2nnc(-c3ccc(-c4ncon4)nc3)n12,QIWPTOBORRHBSZ-UHFFFAOYSA-N,2,1,0.435,80,34,474.828,2.914,6,0.348,0.6,1.0,0.6665924199849222,0.6633284216297718,0.19356109930779247,0.2208039202247961,0.4360714652868206
EOS-2-31756,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)nc5)n34)no2)nc1,DKPNSOLXXJCCJH-UHFFFAOYSA-N,2,1,0.396,51,584,474.832,2.044,6,0.372,0.6,1.0,0.4708210540744294,0.5025186758961003,0.04364848194092249,0.07308443561099308,0.2725181618806113
EOS-2-31757,Cc1nnc(-c2cc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)ccc2Cl)o1,RPGVLHJQBGBNOX-UHFFFAOYSA-N,2,1,0.325,3,340,474.843,4.659,6,0.359,0.66,1.0,0.39758241381673637,0.6057244191624974,0.6041995065451305,0.6531337810979371,0.5651600301555754
EOS-2-31758,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(Cl)c(-c6nnco6)cc5F)n34)cc2)o1,XBBWPPIWTXKBKK-UHFFFAOYSA-N,2,1,0.351,3,340,474.843,4.659,6,0.359,0.68,1.0,0.34987320951271333,0.5159002124597355,0.6102306216160647,0.6361284353368515,0.5280331197313413
EOS-2-31759,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4cnc(-c5ccc(Cl)nc5)cc4F)n23)no1,RSDNDZJXPCDNNI-UHFFFAOYSA-N,2,1,0.291,86,314,474.847,3.491,6,0.353,0.63,0.96,0.1887636214104585,0.3314885888561442,0.3269738194777603,0.43452299362620794,0.3204372558426427
EOS-2-31760,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)c(Cl)c6)n5)n34)cc2)o1,FICYMHLCRMUMEN-UHFFFAOYSA-N,2,1,0.314,3,973,474.847,3.585,6,0.376,0.74,1.0,0.1308597765746008,0.3413919539442122,0.27935885134672056,0.39343602220546914,0.2862616510177507
EOS-2-31761,Cc1nnc(-c2cc(-c3nnc4cncc(-c5cn(-c6ccc(F)cn6)nn5)n34)ccc2Cl)o1,ZDZDQQDBRPCDOA-UHFFFAOYSA-N,2,1,0.306,10,872,474.847,3.585,6,0.376,0.65,1.0,0.06795284764580906,0.33642313755054487,0.304982523473374,0.41222328832842164,0.2803954492495374
EOS-2-31762,Cn1nnc(-c2cc(Cl)c(-c3nnc4cncc(-c5cnn(-c6ncccn6)c5)n34)cc2F)n1,VYQOYJXWNNHRIK-UHFFFAOYSA-N,2,1,0.299,50,151,474.851,2.417,6,0.378,0.6,1.0,0.030489685422520733,0.17859468165307382,0.16128092659858817,0.2470444109382496,0.15435242615310807
EOS-2-31763,COc1cc(-c2nnc3cncc(-c4nnc(-c5c(F)ccc(F)c5F)s4)n23)ccc1Cl,YXWGSBGQNUTFKM-UHFFFAOYSA-N,2,1,0.349,45,730,474.855,5.056,5,0.339,0.72,0.989,0.4311304913988075,0.7167688986361456,0.8780326913851004,0.9079483928449044,0.7334701185662394
EOS-2-31764,Fc1cc(COc2cncc3nnc(-c4cc(F)c(Cl)c(F)c4)n23)sc1-c1ncccn1,UPGOHYRZVCFVQA-UHFFFAOYSA-N,2,1,0.568,73,756,474.855,4.96,5,0.335,0.67,1.0,0.8505242957987801,0.9173548762936057,0.8715560962236996,0.8917226372421355,0.8827894763895553
EOS-2-31765,Fc1cc(-c2ncccc2-c2nnc3cncc(OCc4cncs4)n23)c(F)c(F)c1Cl,TYKNVRIGQJBJOS-UHFFFAOYSA-N,2,1,0.471,59,89,474.855,4.96,5,0.265,0.59,1.0,0.7245905009937633,0.7999109039819067,0.9138681378932219,0.9168494277294222,0.8388047426495785
EOS-2-31766,N#Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)ccc1Cl,JJGIPZHWYHWGRQ-UHFFFAOYSA-N,2,1,0.435,59,560,474.858,5.236,5,0.346,0.78,1.0,0.8682578301692825,0.872087245562333,0.9777773970255637,0.9806301829895141,0.9246881639366733
EOS-2-31767,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccc2F)cn1,LPAVRIWQATVQHV-UHFFFAOYSA-N,2,1,0.605,57,13,474.858,5.236,5,0.346,0.76,1.0,0.9868412034815982,0.9870725104516482,0.9805873483654307,0.9817867178397642,0.9840719450346103
EOS-2-31768,N#Cc1ccc(F)cc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,PSAMTCXMQJZMSY-UHFFFAOYSA-N,2,1,0.553,57,146,474.858,5.236,5,0.346,0.69,1.0,0.9376841888835583,0.9743848947981633,0.9714635734356796,0.9758155712425468,0.964837057089987
EOS-2-31769,Fc1ccc(-c2nnc3cncc(OCCc4nnnn4Cc4ccc(Cl)s4)n23)cc1F,RGNLZRKVQSUXDC-UHFFFAOYSA-N,2,1,0.551,37,391,474.884,3.441,5,0.356,0.74,1.0,0.5468096771982729,0.6829295456103077,0.2286340895072305,0.46277671167157836,0.4802875059968474
EOS-2-31770,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c2cccn2n1,BHJFJEUGZVIHDB-UHFFFAOYSA-N,2,1,0.484,34,389,474.887,4.211,6,0.372,0.66,1.0,0.5598142690699747,0.7746727434720033,0.6655558220821054,0.7133164279350285,0.678339815639778
EOS-2-31771,N#CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)cn1,AETNVBLCBQBBGG-UHFFFAOYSA-N,2,1,0.516,84,749,474.887,3.987,5,0.351,0.65,1.0,0.6666009869097389,0.6731118497704064,0.7368754711808649,0.7553114933863341,0.707974950311836
EOS-2-31772,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(Cl)o6)nn5)n34)nc2)cs1,GSLZLAAAIKKUKT-UHFFFAOYSA-N,2,1,0.298,76,14,474.897,3.779,6,0.371,0.65,0.856,0.12227571790829964,0.2713145089438695,0.08101740799122747,0.11489959564114866,0.1473768076211363
EOS-2-31773,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nn[nH]n6)cc5Cl)n34)cn2)s1,GJGDATCFAFZGJK-UHFFFAOYSA-N,2,1,0.301,99,14,474.901,2.909,6,0.404,0.69,0.875,0.18309231718182442,0.32694811870331025,0.05987423754369132,0.109990747721198,0.16997635528750601
EOS-2-31774,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2O)cc1Cl,TXFYQGHZJLJAJI-UHFFFAOYSA-N,2,1,0.563,35,393,474.908,4.237,5,0.373,0.68,1.0,0.8290641491330272,0.77468131039682,0.6820642862038243,0.5820540058940443,0.7169659379069289
EOS-2-31775,Fc1cc(-c2ncco2)ccc1-c1nnc2cncc(-c3nc(-c4ccc(Cl)cc4)cs3)n12,WJYCDUQDEFUAGG-UHFFFAOYSA-N,2,1,0.365,32,479,474.908,6.029,6,0.31,0.75,1.0,0.2867435405386882,0.5917517647865123,0.7608457268179014,0.8317627304502776,0.6177759406483448
EOS-2-31776,COc1cc(-c2nnc3cncc(OCc4c(-c5ccccc5)cnn(C)c4=O)n23)ccc1Cl,WMNXSAKYOBGIHN-UHFFFAOYSA-N,2,1,0.489,1,955,474.908,3.793,5,0.369,0.72,1.0,0.5468182441230895,0.6584624083339045,0.5115567815776849,0.5262576245630869,0.5607737646494414
EOS-2-31777,COc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccc4OC)n23)ccc1Cl,XQVHKPGIEKFCCX-UHFFFAOYSA-N,2,1,0.494,97,67,474.908,4.498,5,0.34,0.73,1.0,0.8214567198958262,0.7999194709067233,0.8412120485230622,0.7106092796929614,0.7932993797546433
EOS-2-31778,OCC(O)c1ccc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,GKWFFZNMAZKBFS-UHFFFAOYSA-N,2,1,0.495,97,655,474.908,3.506,5,0.368,0.59,1.0,0.7804725515728874,0.744662805839216,0.8660132958673155,0.8160509903365089,0.801799910903982
EOS-2-31779,COc1cc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)c(OC)c4)n23)ccn1,YNJLTTKQGPVWHN-UHFFFAOYSA-N,2,1,0.495,97,67,474.908,4.498,5,0.34,0.71,1.0,0.7974607634843397,0.8379566170927284,0.7134706325817285,0.5661195257350421,0.7287518847234596
EOS-2-31780,Fc1c(Cl)cccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)o1,UTAAAFHHSDAULO-UHFFFAOYSA-N,2,1,0.325,3,641,474.908,6.029,6,0.31,0.75,1.0,0.3727383318483997,0.5252809951339867,0.7655661023918854,0.8455040778562127,0.6272723768076212
EOS-2-31781,COc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)nc(C)n4)n23)n1,ZFZGUEOPERAPQT-UHFFFAOYSA-N,2,1,0.436,49,531,474.912,3.63,5,0.349,0.69,1.0,0.6111387156466315,0.5870656569117949,0.21435302583784524,0.2123912000548283,0.40623714961277496
EOS-2-31782,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn1,AQDQEQRJMRZUGT-UHFFFAOYSA-N,2,1,0.506,75,454,474.912,3.46,5,0.312,0.7,1.0,0.5496110616133233,0.4839027482694812,0.3757967240079501,0.3357720512644781,0.4362706462888082
EOS-2-31783,CCOc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cncnc1,XTQDPHFSNPCWJO-UHFFFAOYSA-N,2,1,0.43,18,578,474.912,3.712,5,0.31,0.71,0.988,0.6249571653759166,0.5712339798505929,0.3605218970598314,0.3073983962716743,0.46602785963950377
EOS-2-31784,Fc1ccc(-c2ncsc2-c2nnc3cncc(-c4cn(-c5ccccc5Cl)nn4)n23)cc1,XSLVTQNHKMFFGG-UHFFFAOYSA-N,2,1,0.325,10,783,474.912,4.955,6,0.359,0.7,1.0,0.025752175998903434,0.17439688849290658,0.5188558015214858,0.7186022205469125,0.35940177164005205
EOS-2-31785,Fc1cccc(-c2ncsc2-c2nnc3cncc(-c4cn(-c5ccccc5Cl)nn4)n23)c1,CRLDZEJIJOIIPA-UHFFFAOYSA-N,2,1,0.337,10,783,474.912,4.955,6,0.359,0.75,1.0,0.014126859022685217,0.1090055513672812,0.5009337948050168,0.7076708244808444,0.3329342574189569
EOS-2-31786,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccs5)cn4)n23)nn1,RLDCGLYOCKZZDO-UHFFFAOYSA-N,2,1,0.298,10,37,474.912,4.955,6,0.359,0.74,0.924,0.029341717497087246,0.17860324857789048,0.6336097594407512,0.7502741415941334,0.39795721677746554
EOS-2-31787,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nn2)cc1Cl,TWZYAHFLIKAKPZ-UHFFFAOYSA-N,2,1,0.31,3,783,474.912,4.955,6,0.359,0.72,1.0,0.047212322664656296,0.25573983962716745,0.7421012953190322,0.8160595572613255,0.46527825371804543
EOS-2-31788,CCc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cnn(C)c(=O)c1,VVAHABBVLJJYGA-UHFFFAOYSA-N,2,1,0.363,46,717,474.912,3.137,5,0.345,0.7,0.991,0.3727468987732164,0.3465578096086629,0.2681618806113358,0.25898670413268454,0.3116133232814749
EOS-2-31789,Fc1ccc(Cl)cc1-c1ncsc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,GGKIOWKDRXNZSK-UHFFFAOYSA-N,2,1,0.358,3,834,474.912,5.159,6,0.379,0.67,1.0,0.3079381125351244,0.46238263313001166,0.6430419436639024,0.7581128778013844,0.5428688917826057
EOS-2-31790,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccs5)nc4)n23)nn1,XLYKIGALZMTBBG-UHFFFAOYSA-N,2,1,0.307,10,37,474.912,4.955,6,0.359,0.66,0.997,0.040050373517922004,0.30206120211089027,0.627758549790967,0.7451168528544994,0.42874674456856965
EOS-2-31791,COc1nc(-c2nnc3cncc(OCCc4ccc(C)nn4)n23)ccc1-c1cncc(Cl)c1,GDRRVOQDFZRYFO-UHFFFAOYSA-N,2,1,0.385,49,501,474.912,3.63,5,0.349,0.65,0.984,0.5711825783016928,0.5112655061339182,0.22864265643204715,0.20335309437324378,0.3786109588102255
EOS-2-31792,Cc1cc(=O)n(C)nc1-c1cc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)ccn1,YHKMRNCMZJGWJZ-UHFFFAOYSA-N,2,1,0.495,75,583,474.912,2.925,5,0.345,0.64,0.801,0.43558529230347476,0.40396477280515386,0.1868189294770749,0.2063600849838942,0.30818226989239944
EOS-2-31793,Fc1cc(-c2nnc3cncc(-c4csc(-c5ccc(Cl)nc5)n4)n23)ccc1-c1cc[nH]n1,PTVUBTQGLRFKRF-UHFFFAOYSA-N,2,1,0.326,32,572,474.912,5.159,6,0.354,0.66,1.0,0.2135134672058118,0.4313960660681242,0.6899972585840587,0.7659430470838188,0.5252124597354534
EOS-2-31794,CCOc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cn1,DTKYFZKCMFDQOI-UHFFFAOYSA-N,2,1,0.512,65,981,474.912,3.712,5,0.31,0.67,1.0,0.6605099033650881,0.7875916660955383,0.34153759166609554,0.279941402234254,0.517395140840244
EOS-2-31795,CCOc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cncnc1,PGDKRVOKRSUZAX-UHFFFAOYSA-N,2,1,0.434,18,773,474.912,3.712,5,0.31,0.66,0.983,0.6168185868000823,0.5668048797203755,0.34930779247481325,0.2946850798437393,0.4569040847097526
EOS-2-31796,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn(C)c1=O,NBDQMJZNRXDITD-UHFFFAOYSA-N,2,1,0.5,75,578,474.912,2.925,5,0.345,0.64,1.0,0.47861695565759715,0.4885117538208485,0.2040641491330272,0.21792543348639573,0.34727957302446716
EOS-2-31797,CN(C)Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)cn1,RRXLXPGTOWAWOT-UHFFFAOYSA-N,2,1,0.392,51,282,474.916,2.727,5,0.325,0.71,1.0,0.45440682612569394,0.48391131519429786,0.10539887601946406,0.07698238640257693,0.2801748509355082
EOS-2-31798,Cc1cc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)c(F)c4)n23)ccc1Cl,RGHXQAIWGUHPIG-UHFFFAOYSA-N,2,1,0.627,79,590,474.923,6.306,5,0.277,0.8,1.0,0.962014255362895,0.9809214584332808,0.9456000274141594,0.937487149612775,0.9565057227057775
EOS-2-31799,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccc(C#N)nc1,KXUFGGPWKHMPEU-UHFFFAOYSA-N,2,1,0.511,4,83,474.933,5.027,5,0.34,0.67,1.0,0.852743129326297,0.8608131725035981,0.8365173737235282,0.7708090603796861,0.8302206839832773
EOS-2-31800,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccc(C#N)cn1,RZOPFLJMXASQFF-UHFFFAOYSA-N,2,1,0.464,4,61,474.933,5.027,5,0.34,0.74,1.0,0.8481683914741964,0.8447758892467959,0.8241381673634433,0.7631930642176684,0.820068878075526
EOS-2-31801,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5nnc6ccccn56)c4)n23)s1,ZSLJGICUKSAMRD-UHFFFAOYSA-N,2,1,0.495,58,954,474.937,4.232,6,0.356,0.73,1.0,0.711937153039545,0.6927815091494757,0.2609656637653348,0.36801795627441575,0.5084255705571928
EOS-2-31802,Cc1c(Cl)cccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5nccn5C)o4)n23)s1,OBAKJNNFFHYBBD-UHFFFAOYSA-N,2,1,0.273,76,272,474.937,4.932,6,0.357,0.62,0.758,0.06990610650400932,0.15441881982043726,0.20767082448084437,0.2888510040435885,0.18021168871221988
EOS-2-31803,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cn(C)nc5-c5cccc(Cl)c5)n34)s2)no1,DIXHEYVZRUFLPM-UHFFFAOYSA-N,2,1,0.337,76,750,474.937,4.932,6,0.357,0.7,1.0,0.13086834349941745,0.27646323075868684,0.20062881228154342,0.3009560688095401,0.22722911383729694
EOS-2-31804,Cn1cc(-c2nc(Cl)n(C)n2)cc1-c1cncc2nnc(-c3cccc(-c4csnn4)c3)n12,KWUFTJBYYJRPCX-UHFFFAOYSA-N,2,1,0.294,98,63,474.941,3.764,6,0.383,0.56,1.0,0.06586251799054212,0.2457165375916661,0.1705075046261394,0.22664656294976354,0.17718328078952778
EOS-2-31805,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)cn4)n23)cc1,FQHUZCHUENYAOI-UHFFFAOYSA-N,2,1,0.367,69,479,474.955,6.544,6,0.29,0.85,1.0,0.2867521074635049,0.41333698855458845,0.860144952367898,0.8849719004866013,0.6113014872181481
EOS-2-31806,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(Cl)c6)cc5)n34)cc2)n1,QEWSRQZLROROQU-UHFFFAOYSA-N,2,1,0.329,69,958,474.955,6.544,6,0.271,0.78,1.0,0.2867606743883216,0.3991929956822699,0.8913114248509355,0.8986104447947365,0.6189688849290659
EOS-2-31807,CN(CCOc1cncc2nnc(-c3ccc(-c4cncn4C)nc3)n12)Cc1ccc(Cl)cc1,JGGHGLPEJPFLKF-UHFFFAOYSA-N,2,1,0.455,84,56,474.956,3.751,5,0.338,0.81,1.0,0.37049379754643275,0.38462922349393464,0.3869508601192516,0.3710506476595161,0.37828113220478377
EOS-2-31808,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)c(-c2ccccn2)n1,PIOIFXXUFYJMDA-UHFFFAOYSA-N,2,1,0.3,76,653,474.962,5.149,6,0.326,0.58,0.999,0.10148379137824687,0.2814491810019875,0.27936741827153727,0.40902782537180454,0.26783205400589405
EOS-2-31809,Clc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)s2)nn1,JSYPKAJNQMFBRM-UHFFFAOYSA-N,2,1,0.296,76,272,474.962,5.149,6,0.348,0.57,0.976,0.053620382427523816,0.15442738674525391,0.20063737920636007,0.31968336645877593,0.18209212870947844
EOS-2-31810,Clc1ccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6nccs6)nc5)n34)n2)cn1,RUDRQKZIQYJKJL-UHFFFAOYSA-N,2,1,0.325,32,368,474.962,5.149,6,0.326,0.7,1.0,0.1608525803577548,0.3754883147145501,0.29034164896168874,0.3777928174902337,0.3011188403810568
EOS-2-31811,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)s4)n23)cc1,KIMATBPDTQXSKI-UHFFFAOYSA-N,2,1,0.582,4,436,424.938,5.814,5,0.357,0.81,1.0,0.8593310945103145,0.9298368857514906,0.7816719210472209,0.8277362757864437,0.8496440442738674
EOS-2-31812,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5nc[nH]n5)ccn4)n23)s1,TVJYLKFPLMKHHJ-UHFFFAOYSA-N,2,1,0.442,31,954,424.877,3.308,5,0.445,0.63,0.998,0.6278956205880337,0.6157048865739154,0.20407271605784388,0.26229353711191833,0.42749169008292787
EOS-2-31813,Cn1ncc(-c2nnc3cncc(OCc4cncs4)n23)c1-c1ccc(Cl)nc1,GCHASZCQJRYQDP-UHFFFAOYSA-N,2,1,0.471,55,256,424.877,3.276,5,0.399,0.69,1.0,0.34988177643753,0.3896151737372353,0.2357360701802481,0.2829740936193544,0.31455177849359195
EOS-2-31814,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,HKFOKGYVKMCIHU-UHFFFAOYSA-N,2,1,0.466,92,36,424.877,3.276,5,0.427,0.62,1.0,0.3519464053183469,0.44890686039339317,0.3122729764923583,0.345161400863546,0.3645719107669111
EOS-2-31815,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5nc[nH]n5)c4)n23)s1,DNHGQEIKSPEWQG-UHFFFAOYSA-N,2,1,0.467,87,227,424.877,3.308,5,0.445,0.72,1.0,0.6571088342128709,0.673120416695223,0.2502141731204167,0.3009646357343568,0.4703520149407169
EOS-2-31816,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ncc[nH]5)ncn4)n23)s1,ZWMGFCHQHNZTGA-UHFFFAOYSA-N,2,1,0.39,31,194,424.877,3.308,5,0.445,0.67,0.392,0.6082430950585977,0.5207319580563361,0.18682749640189159,0.24131313823589884,0.3892789219381811
EOS-2-31817,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)s1,CLZRNCXYSGGFBW-UHFFFAOYSA-N,2,1,0.56,15,499,424.877,3.308,5,0.445,0.73,1.0,0.9096018093345213,0.8636659584675485,0.2903502158865054,0.35167226372421356,0.6038225618531972
EOS-2-31818,Clc1ccc(-c2c[nH]nn2)cc1-c1nnc2cncc(OCCc3cncs3)n12,WRSQMEQALLVCHJ-UHFFFAOYSA-N,2,1,0.54,37,619,424.877,3.308,5,0.445,0.64,1.0,0.5765454732369268,0.7352391885408813,0.31228154341717496,0.3934445891302858,0.5043776985813173
EOS-2-31819,Cn1nc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1ccc(Cl)nc1,LQLKXRMWZMNICC-UHFFFAOYSA-N,2,1,0.438,95,694,424.877,3.276,5,0.399,0.64,1.0,0.32575731615379344,0.380234391062984,0.2112774998286615,0.262302104036735,0.2948928277705435
EOS-2-31820,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)cc(Cl)n2)n1,KBBUNKSKWSCIKJ-UHFFFAOYSA-N,2,1,0.488,55,256,424.877,3.276,5,0.399,0.58,0.995,0.39967274347200327,0.4751987526557467,0.22486464258789665,0.2443286957713659,0.33601620862175313
EOS-2-31821,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ns1,ZLXVVYOOEUMVSB-UHFFFAOYSA-N,2,1,0.387,46,565,424.877,3.276,5,0.399,0.57,1.0,0.3309317387430608,0.3020697690357069,0.27172572133506956,0.30740696319649097,0.3030335480775821
EOS-2-31822,Cn1nc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1cccc(Cl)n1,KZKJZGZVGCOYAF-UHFFFAOYSA-N,2,1,0.407,95,694,424.877,3.276,5,0.399,0.57,1.0,0.3332962099924611,0.3512867521074635,0.13978651223356864,0.19459769721060927,0.2547417928860256
EOS-2-31823,Cn1cc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)cn1,JZTBLELKCAJRBM-UHFFFAOYSA-N,2,1,0.562,36,32,424.877,3.276,5,0.427,0.77,1.0,0.4544153930505106,0.740070934137482,0.15178877390172024,0.2385545884449318,0.3962074223836612
EOS-2-31824,Clc1snnc1CCOc1cncc2nnc(-c3cccc(-c4c[nH]cn4)c3)n12,SDNZRNPKMWRLOT-UHFFFAOYSA-N,2,1,0.5,15,438,424.877,3.308,5,0.445,0.58,1.0,0.5157545747378521,0.5917603317113289,0.10540744294428073,0.20030326913851004,0.353306404632993
EOS-2-31825,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)o1,LSWIATTXYGXELL-UHFFFAOYSA-N,2,1,0.494,4,464,424.873,4.444,5,0.411,0.71,1.0,0.6111472825714481,0.7212408333904462,0.43809540127475843,0.41530738126242206,0.5464477246247686
EOS-2-31826,Clc1sccc1CCOc1cncc2nnc(-c3cncc(-c4ncco4)c3)n12,WUSCOTGYDYKQFP-UHFFFAOYSA-N,2,1,0.484,87,76,424.873,4.178,5,0.403,0.64,1.0,0.6055616475909807,0.5484802275375231,0.43436022205469127,0.462785278596395,0.5127968439448976
EOS-2-31827,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)o1,GZAPZSQRJKSKSX-UHFFFAOYSA-N,2,1,0.455,46,122,424.873,4.444,5,0.411,0.66,1.0,0.5265146323075869,0.5435371119183058,0.4452573504214927,0.4219124802960729,0.4843053937358646
EOS-2-31828,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ncno5)c4)n23)s1,FWRMBCIGEVPKAM-UHFFFAOYSA-N,2,1,0.511,15,561,424.873,4.178,5,0.403,0.65,1.0,0.7543348639572339,0.7446713727640326,0.41178637516277156,0.4534130628469605,0.5910514186827497
EOS-2-31829,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)no1,HDAPSHLKIRDMHP-UHFFFAOYSA-N,2,1,0.556,4,32,424.873,4.444,5,0.411,0.83,1.0,0.8085206634226578,0.8777756836406003,0.30499109039819067,0.3808340758001508,0.5930303783154
EOS-2-31830,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)s1,VPVJHNZAIMMLHG-UHFFFAOYSA-N,2,1,0.56,72,889,424.873,4.178,5,0.403,0.72,1.0,0.9182287026249057,0.8883215680899185,0.4343687889795079,0.4658351038311288,0.6766885408813652
EOS-2-31831,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)s1,IVXXAPKLXZOOBN-UHFFFAOYSA-N,2,1,0.595,15,320,424.873,4.178,5,0.403,0.72,1.0,0.9167808923308889,0.8483911315194298,0.4117949420875882,0.45017476526626005,0.6567854328010418
EOS-2-31832,Clc1ncc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1ncco1,TUZTVQSGHOVZJV-UHFFFAOYSA-N,2,1,0.489,65,552,424.873,4.178,5,0.377,0.64,1.0,0.6666095538345556,0.697570420121993,0.38695942704406827,0.4184857103694058,0.5424062778425057
EOS-2-31833,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2)o1,ZIIZMPDZQPBGTD-UHFFFAOYSA-N,2,1,0.524,72,554,424.873,4.444,5,0.411,0.74,1.0,0.7602460420807347,0.7446799396888493,0.40503563840723733,0.4090363922966212,0.5797495031183606
EOS-2-31834,Clc1sccc1CCOc1cncc2nnc(-c3cccc(-c4ncno4)c3)n12,YOYNKYQJRWSKAF-UHFFFAOYSA-N,2,1,0.543,15,438,424.873,4.178,5,0.403,0.61,1.0,0.6727434720032897,0.6341923103282846,0.46294805016791174,0.4963847577273662,0.5665671475567131
EOS-2-31835,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)s1,ZPYRHORTDBCKPI-UHFFFAOYSA-N,2,1,0.523,87,173,424.873,4.178,5,0.403,0.75,1.0,0.7746641765471867,0.7833853060105544,0.4118035090124049,0.4405626756219587,0.6026039167980262
EOS-2-31836,Clc1ccc(CCOc2cncc3nnc(-c4cnccc4-c4ncco4)n23)s1,FIDANTRCWSLBHA-UHFFFAOYSA-N,2,1,0.511,87,173,424.873,4.178,5,0.403,0.6,1.0,0.6908796518401754,0.5917688986361456,0.3531200740182304,0.402542663285587,0.5095778219450345
EOS-2-31837,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5csc(F)c5Cl)n34)cc2)c1,ZQVMPQCWVQQLTB-UHFFFAOYSA-N,2,1,0.449,83,558,424.863,6.118,5,0.35,0.75,1.0,0.38204201219930095,0.6388784182030018,0.9760554451374135,0.9878863683092317,0.746215560962237
EOS-2-31838,Cc1nccc(-c2nnc3cncc(-c4ccc(-c5ccc(C#N)cc5Cl)cn4)n23)n1,POWXSQHLQGPZDQ-UHFFFAOYSA-N,2,1,0.329,96,155,424.855,4.144,5,0.428,0.69,1.0,0.18017099581934068,0.34140052086902883,0.7108234528133781,0.7632016311424851,0.4988991501610581
EOS-2-31839,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(C#N)c(Cl)c5)n34)cn2)n1,BASPYWAUZTWACC-UHFFFAOYSA-N,2,1,0.366,82,155,424.855,4.144,5,0.428,0.74,1.0,0.3257658830786101,0.4577993283530944,0.7493232129394832,0.7632101980673017,0.5740246556096223
EOS-2-31840,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(Cl)nc5)n34)c(F)c2)s1,YWZJGGUPAHQODA-UHFFFAOYSA-N,2,1,0.36,50,844,424.852,3.868,5,0.406,0.71,1.0,0.26524055924885204,0.4402028647796587,0.4085480775820711,0.4844253306832979,0.39960420807346997
EOS-2-31841,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)nn2C)cn1,GBAVNFXQQMBKPI-UHFFFAOYSA-N,2,1,0.441,31,569,424.852,2.793,5,0.413,0.64,1.0,0.3079466794599411,0.18704166952230827,0.20408128298266054,0.20336166129806044,0.22560782331574258
EOS-2-31842,Fc1ccsc1Oc1cncc2nnc(-c3ccnc(-c4ccc(Cl)nc4)c3)n12,VPLPOWOYLXGDBW-UHFFFAOYSA-N,2,1,0.412,75,525,424.848,4.895,5,0.382,0.77,1.0,0.7119457199643616,0.787600233020355,0.765574669316702,0.7804468507984373,0.7613918682749641
EOS-2-31843,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12,CGCCAVPTBIATMZ-UHFFFAOYSA-N,2,1,0.5,13,110,424.848,4.895,5,0.408,0.72,1.0,0.6789973271194572,0.827367898019327,0.7318295524638476,0.7754094990062367,0.7534010691522172
EOS-2-31844,Cc1csc(COc2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)c1,ORISVVIMDLJLEU-UHFFFAOYSA-N,2,1,0.564,68,255,424.835,5.412,4,0.439,0.76,1.0,0.9080083613186211,0.9402114317044754,0.9925639092591323,0.982643410321431,0.955856778150915
EOS-2-31845,Cn1cc(Oc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)n(C)n4)n23)cn1,JRMATFGEQHPMJT-UHFFFAOYSA-N,2,1,0.411,95,956,424.827,3.51,5,0.438,0.81,1.0,0.37275546569803303,0.47089815639777943,0.5913491193201289,0.6093139606606812,0.5110791755191557
EOS-2-31846,Cn1nc(-c2ccnn2C)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3F)n12,GQYKJAQYBMYCFF-UHFFFAOYSA-N,2,1,0.477,36,706,424.827,3.51,5,0.438,0.69,1.0,0.48332876430676447,0.7576930984853677,0.4973528202316497,0.5165684325954355,0.5637357789048043
EOS-2-31847,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)o5)n34)cc2F)n1,DQWMCNKQBHCOJO-UHFFFAOYSA-N,2,1,0.536,4,554,424.823,4.156,5,0.421,0.75,1.0,0.7336114728257145,0.7617366869988349,0.7988914399287231,0.7804554177232541,0.7686737543691317
EOS-2-31848,COc1c(Cl)ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)o4)n23)c1F,IZWXWQQXARKCFD-UHFFFAOYSA-N,2,1,0.354,50,844,424.823,4.253,5,0.429,0.7,0.999,0.4171578370228223,0.48852032074566515,0.6900058255088753,0.6475310122678364,0.5608037488862998
EOS-2-31849,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)ccc1-c1cc[nH]n1,MWPPTQFTNVBZKM-UHFFFAOYSA-N,2,1,0.495,37,639,424.823,4.188,5,0.439,0.66,1.0,0.9376927558083751,0.8693715303954492,0.7770714824206703,0.7964241655815228,0.8451399835515043
EOS-2-31850,Cc1nnc(-c2nc(COc3cncc4nnc(-c5cncc(Cl)c5)n34)n(C)n2)o1,ZZBBMHZSCHCIKR-UHFFFAOYSA-N,2,1,0.44,92,105,424.812,1.906,5,0.411,0.71,0.97,0.39968131039682,0.43140463299294085,0.007042012199300939,0.01094852991570146,0.2122691213761908
EOS-2-31851,Cc1onnc1COc1cncc2nnc(-c3ccc(-c4nnn(C)n4)cc3Cl)n12,RUTQVYQUEOBPRY-UHFFFAOYSA-N,2,1,0.461,36,404,424.812,1.906,5,0.411,0.64,1.0,0.3543622781166472,0.5343105338907546,0.027979576451237064,0.04582448084435611,0.24061921732574873
EOS-2-31852,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C#N)o5)cn4)n23)c(Cl)c1,RWYMIELHQCVCND-UHFFFAOYSA-N,2,1,0.38,96,680,424.811,3.905,5,0.426,0.75,1.0,0.36811219244739907,0.5668134466451923,0.8241467342882599,0.837913782468645,0.649246538962374
EOS-2-31853,FC(F)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)nn4)n23)cn1,SOEHWKHEHLTTTO-UHFFFAOYSA-N,2,1,0.373,22,243,424.802,4.025,5,0.433,0.71,0.42,0.017699266671235694,0.26070865602083476,0.8202659173463094,0.8508241381673635,0.4873744945514358
EOS-2-31854,FC(F)c1ccnc(-n2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,WKVQZWWUTYZHQW-UHFFFAOYSA-N,2,1,0.38,22,844,424.802,4.025,5,0.433,0.74,0.994,0.04445377287368926,0.37549688163936673,0.6982472071825098,0.745125419779316,0.4658308203687205
EOS-2-31855,FC(F)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)cc1,PACWGBSHIONQCZ-UHFFFAOYSA-N,2,1,0.364,22,990,424.802,4.025,5,0.433,0.81,1.0,0.10398533342471386,0.4039733397299705,0.772488177643753,0.8577119457199643,0.5345396991296004
EOS-2-31856,Cn1nncc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cn1,JOBLUTCOLIASCE-UHFFFAOYSA-N,2,1,0.371,22,649,424.802,3.58,5,0.44,0.7,1.0,0.2755123021040367,0.4360479062435748,0.7861866904256049,0.852691727777397,0.5876096566376534
EOS-2-31857,Cc1c(-c2nnc3cncc(-c4nnnn4-c4ccc(Cl)cc4)n23)ccc(F)c1F,NUXROHHFIKWAKU-UHFFFAOYSA-N,2,1,0.404,22,990,424.802,3.674,5,0.439,0.68,0.997,0.042988828730039064,0.33149715578096084,0.682072853128641,0.8238468919196765,0.4701014323898294
EOS-2-31858,FC(F)n1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,OPXGVXZXNFWTQV-UHFFFAOYSA-N,2,1,0.405,22,844,424.802,4.16,5,0.43,0.72,0.999,0.1941693509697759,0.5159087793845522,0.8729268041943664,0.8864197107806182,0.6173561613323282
EOS-2-31859,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4F)n23)c1,VUDYRLFUXGLMRZ-UHFFFAOYSA-N,2,1,0.333,61,917,424.802,3.58,5,0.411,0.85,1.0,0.230090466726064,0.5112740730587348,0.7318381193886643,0.8238554588444932,0.574264529504489
EOS-2-31860,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5c(F)cccc5Cl)n34)c(F)c2)n1,JFUIRWTTWMXGAY-UHFFFAOYSA-N,2,1,0.365,22,252,424.802,3.58,5,0.44,0.73,1.0,0.2977777397025564,0.47979062435748066,0.6845401274758413,0.8070899869782743,0.5672996196285381
EOS-2-31861,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(F)cc3F)n12,JTPGWVMZHKJWQE-UHFFFAOYSA-N,2,1,0.414,22,311,424.802,3.58,5,0.411,0.73,1.0,0.22747755465698033,0.47520731958056334,0.4381039681995751,0.6618977451853882,0.4506716469056268
EOS-2-31862,Cn1c(-c2cncc(F)c2)nnc1-c1cncc2nnc(-c3ccc(F)cc3Cl)n12,LDAKDJIHBPFORC-UHFFFAOYSA-N,2,1,0.398,22,311,424.802,3.58,5,0.44,0.74,0.999,0.23846891919676513,0.47090672332259614,0.5320488657391542,0.7347423069015147,0.49404170379000756
EOS-2-31863,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5c(F)cc(Cl)cc5F)n34)c2)n1,LNNSXGVZIMMLDB-UHFFFAOYSA-N,2,1,0.368,22,252,424.802,3.58,5,0.44,0.75,1.0,0.29234630936878897,0.5252895620588034,0.6709958193406894,0.7804639846480708,0.5672739188540882
EOS-2-31864,Fc1cnc(-n2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,SPPNDOCUSICWOE-UHFFFAOYSA-N,2,1,0.542,36,404,424.787,1.928,5,0.416,0.63,1.0,0.39968987732163663,0.6157134534987321,0.09510143238982935,0.2153210883421287,0.3314564628880817
EOS-2-31865,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nn[nH]n1,MUBYYMWKXXCJBD-UHFFFAOYSA-N,2,1,0.476,51,196,424.787,2.133,5,0.45,0.73,1.0,0.7602546090055514,0.7212494003152629,0.2717342882598862,0.3516808306490302,0.5262297820574326
EOS-2-31866,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCc3cncc(Cl)n3)n12,BGYXAWMYUUNRIX-UHFFFAOYSA-N,2,1,0.467,36,6,424.787,2.133,5,0.45,0.69,1.0,0.6082516619834144,0.7075166198341444,0.31969193338359264,0.39345315605510245,0.5072283428140635
EOS-2-31867,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)nn1,NQDKUCLLGWXTLL-UHFFFAOYSA-N,2,1,0.568,34,335,424.783,3.003,5,0.419,0.73,1.0,0.7634158042629018,0.8236241518744432,0.24656466314851622,0.37444314988691657,0.5520119422931944
EOS-2-31868,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnn5)no4)n23)c(Cl)c1,MSXSUEXEIWKMLV-UHFFFAOYSA-N,2,1,0.511,73,29,424.783,3.003,5,0.419,0.76,1.0,0.5911435131245288,0.7305959152902474,0.26817044753615243,0.4055496538962374,0.4988648824617915
EOS-2-31869,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccnc(-c4conn4)n3)n12,UVGOMTXHXLDALL-UHFFFAOYSA-N,2,1,0.517,4,29,424.783,3.003,5,0.419,0.61,1.0,0.5655455417723254,0.7306044822150641,0.3832499485984511,0.47806867246933044,0.5393671612637928
EOS-2-31870,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1nnco1,YEQXWMNZTIKTTC-UHFFFAOYSA-N,2,1,0.562,73,335,424.783,3.003,5,0.419,0.69,1.0,0.889880748406552,0.9173634432184223,0.26097423069015147,0.38376396408745117,0.6129955966006443
EOS-2-31871,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nnco1,SHRQXFHXURKGNM-UHFFFAOYSA-N,2,1,0.482,51,196,424.783,3.003,5,0.419,0.68,1.0,0.8660989651154821,0.7617452539236516,0.4118120759372216,0.45967548488794463,0.624832944966075
EOS-2-31872,Fc1cc(-c2nnc3cncc(OCc4nccc(-c5nnco5)n4)n23)ccc1Cl,OJGGYGOAHGHBAE-UHFFFAOYSA-N,2,1,0.512,73,391,424.783,3.003,5,0.419,0.74,1.0,0.8747172914810499,0.9115208004934549,0.3942755808375026,0.4690734014118292,0.6623967685559591
EOS-2-31873,Fc1ccc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)cc1-c1cnno1,VXPKVEPFWZGOIT-UHFFFAOYSA-N,2,1,0.518,4,394,424.783,3.003,5,0.392,0.62,1.0,0.6195428688917826,0.702830511959427,0.5456188746487561,0.5661280926598589,0.6085300870399561
EOS-2-31874,Fc1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cc1-c1ncno1,AWYBOGBHTWQWQW-UHFFFAOYSA-N,2,1,0.461,73,94,424.783,3.003,5,0.419,0.67,1.0,0.6698564183400727,0.7122369954081283,0.4700414639161127,0.5133558357891851,0.5913726783633747
EOS-2-31875,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1Cl,OFZOJCKJTXASSP-UHFFFAOYSA-N,2,1,0.471,72,19,424.783,3.003,5,0.392,0.7,1.0,0.8570437255842642,0.7400795010622987,0.3869679939688849,0.4153159481872387,0.5998517922006716
EOS-2-31876,Fc1ncc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1nnco1,YVUWYKPJKPKGJH-UHFFFAOYSA-N,2,1,0.444,55,875,424.783,3.003,5,0.392,0.67,1.0,0.7487149612774998,0.6584709752587211,0.5115653485025016,0.5435199780686725,0.6155678157768487
EOS-2-31877,Fc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1nnco1,LVYHRJUKQCERDJ-UHFFFAOYSA-N,2,1,0.433,46,223,424.783,3.003,5,0.392,0.61,0.997,0.7183623466520458,0.5712425467754095,0.43811253512439174,0.46584367075594546,0.5483902748269481
EOS-2-31878,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)cc1Cl,TYFJYQJIKBAMJB-UHFFFAOYSA-N,2,1,0.477,55,823,424.783,3.003,5,0.419,0.68,1.0,0.5911520800493455,0.6057329860873141,0.49736138715646633,0.5165769995202522,0.5527058632033446
EOS-2-31879,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)cc1Cl,IAIZJXRDEJOWSW-UHFFFAOYSA-N,2,1,0.466,55,283,424.783,3.003,5,0.392,0.69,1.0,0.7833596052361045,0.6829381125351244,0.5152576930984853,0.519781029401686,0.62533411006785
EOS-2-31880,Fc1cc(-c2nnc3cncc(OCc4nc(-c5cnccn5)no4)n23)ccc1Cl,DQGIKQPOAOOCEO-UHFFFAOYSA-N,2,1,0.537,73,401,424.783,3.003,5,0.419,0.78,1.0,0.7091786032485778,0.8273764649441436,0.32698238640257693,0.4345315605510246,0.5745172537865808
EOS-2-31881,Cc1nnc(-c2cnnc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)o1,GNEJBQVSLOEQMC-UHFFFAOYSA-N,2,1,0.466,22,706,424.783,3.525,5,0.427,0.68,1.0,0.6605184702899047,0.8236327187992598,0.4193167020766226,0.47510451648276336,0.5946431019121377
EOS-2-31882,Fc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ncon1,XKNUVKBOXKROSR-UHFFFAOYSA-N,2,1,0.427,46,62,424.783,3.003,5,0.392,0.61,1.0,0.7119542868891783,0.5819169350969776,0.405044205332054,0.4596840518127613,0.5396498697827428
EOS-2-31883,Fc1cccc(-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)c1Cl,HDPLLDFVGQCOCN-UHFFFAOYSA-N,2,1,0.444,73,212,424.783,3.003,5,0.419,0.59,1.0,0.5968919196765129,0.620176821328216,0.41182064286203823,0.49639332465218283,0.5313206771297375
EOS-2-31884,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)cnc1Cl,ULRZQPPEPQOWDJ-UHFFFAOYSA-N,2,1,0.466,55,283,424.783,3.003,5,0.392,0.66,1.0,0.7151668836954287,0.6342008772531013,0.5188643684463026,0.5197895963265027,0.5970054314303338
EOS-2-31885,Fc1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1ncno1,RBDPGPSKBWLFFV-UHFFFAOYSA-N,2,1,0.462,46,338,424.783,3.003,5,0.392,0.54,0.886,0.4521708587485436,0.507247618394901,0.39428414776231924,0.4471934754300596,0.45022402508395587
EOS-2-31886,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)cc1Cl,JEQJYSXZEVWZOQ-UHFFFAOYSA-N,2,1,0.433,46,469,424.783,3.003,5,0.419,0.73,1.0,0.5738811596189431,0.552763689945857,0.48744088821876497,0.5095349873209513,0.5309051812761291
EOS-2-31887,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)nn1,AJPNSZWEIOPAPN-UHFFFAOYSA-N,2,1,0.556,4,32,424.783,3.003,5,0.419,0.71,1.0,0.7364642587896648,0.8345641148653279,0.30842642724967445,0.41532451511205537,0.5736948290041807
EOS-2-31888,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nnco1,HLOSGTRPXFYBHO-UHFFFAOYSA-N,2,1,0.477,4,94,424.783,3.003,5,0.419,0.66,1.0,0.7456394352683161,0.7446885066136659,0.47005003084092933,0.5031269275580837,0.6158762250702488
EOS-2-31889,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)nn1,ITCQCXRTKDAISK-UHFFFAOYSA-N,2,1,0.443,54,446,424.783,3.003,5,0.419,0.63,1.0,0.5391508464121719,0.5712511137002262,0.24657323007333287,0.37105921458433283,0.43200860119251594
EOS-2-31890,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnc(-c4cccnn4)o3)n12,NWBUUROXWJCZCB-UHFFFAOYSA-N,2,1,0.541,34,820,424.783,3.003,5,0.419,0.73,1.0,0.7183709135768624,0.8636745253923651,0.29035878281132205,0.41849427729422245,0.572724624768693
EOS-2-31891,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncno5)cc4)n23)nc1Cl,GKZWLELKULTKLE-UHFFFAOYSA-N,2,1,0.465,73,379,424.783,3.003,5,0.392,0.72,1.0,0.7889709409910218,0.6633369885545884,0.3905489685422521,0.415333082036872,0.5645474950311836
EOS-2-31892,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)cc1Cl,PRCYJEPNYCSPHA-UHFFFAOYSA-N,2,1,0.536,73,212,424.783,3.003,5,0.419,0.64,1.0,0.7602631759303681,0.8118617641011583,0.470058597765746,0.529992803783154,0.6430440853951067
EOS-2-31893,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4nnco4)cn3)n12,OEVCWUHLPMTPQO-UHFFFAOYSA-N,2,1,0.529,73,212,424.783,3.003,5,0.419,0.62,1.0,0.6937495716537592,0.8414262216434789,0.42688129668974023,0.4994345829620999,0.6153729182372696
EOS-2-31894,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncon1,RPMWVMCEGHBGIB-UHFFFAOYSA-N,2,1,0.53,4,208,424.783,3.003,5,0.419,0.72,1.0,0.7863237612226716,0.7306130491398808,0.4381211020492084,0.48715817969981495,0.610554023027894
EOS-2-31895,O=c1[nH]nc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)[nH]1,RSWSDNUYQSKZEF-UHFFFAOYSA-N,2,1,0.536,13,995,424.783,2.85,5,0.454,0.61,1.0,0.6908882187649921,0.6057415530121307,0.6575029127544376,0.7133249948598451,0.6668644198478514
EOS-2-31896,Fc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1nnco1,OKMSUFGHOKTLKM-UHFFFAOYSA-N,2,1,0.424,46,237,424.783,3.003,5,0.392,0.6,1.0,0.5996247686930299,0.5484887944623398,0.3493163593996299,0.4025512302104037,0.4749952881913509
EOS-2-31897,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)ccc1Cl,KYLSVGQGXYLRIG-UHFFFAOYSA-N,2,1,0.536,73,212,424.783,3.003,5,0.419,0.68,1.0,0.7833681721609211,0.8803114933863341,0.4700671646905627,0.5300013707079707,0.6659370502364472
EOS-2-31898,FC(F)Oc1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cc5Cl)o4)n23)cc1,JGIDBNUFHZMVOI-UHFFFAOYSA-N,2,1,0.494,45,574,475.242,5.417,5,0.335,0.76,0.999,0.8136008498389418,0.9374614488383249,0.9355595915290248,0.959589815639778,0.9115529264615174
EOS-2-31899,Fc1cc(-c2nnc3cncc(OCc4noc(-c5cc(Cl)ccc5F)n4)n23)ccc1Cl,XKABUTJDAFWZKT-UHFFFAOYSA-N,2,1,0.537,34,756,475.242,5.005,5,0.353,0.8,1.0,0.8747258584058666,0.8803200603111507,0.8780412583099171,0.9315502707148242,0.8911593619354397
EOS-2-31900,Fc1cc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)c(F)cc1Cl,YXMRFGKFSXBRQE-UHFFFAOYSA-N,2,1,0.5,34,210,475.242,5.005,5,0.33,0.74,1.0,0.7833767390857378,0.8345726817901447,0.8755825508875335,0.9263758481255568,0.8549769549722432
EOS-2-31901,COc1cc(-c2nnc3cncc(-c4nnc(-c5cc(F)c(F)cc5Cl)o4)n23)ccc1Cl,ZJDIIUNASBPHCM-UHFFFAOYSA-N,2,1,0.341,45,730,475.242,5.102,5,0.334,0.7,0.999,0.7336200397505311,0.8636830923171819,0.9195480090466726,0.9400829278322254,0.8642335172366526
EOS-2-31902,Fc1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)c(F)cc1Cl,BGSKXCKZGYOTRY-UHFFFAOYSA-N,2,1,0.582,34,210,475.242,5.005,5,0.33,0.72,1.0,0.9344458913028579,0.9004694674799534,0.8780498252347337,0.9294942087588239,0.9106148481940922
EOS-2-31903,Fc1cc(Cl)c(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)cc1F,YAIDMYZCFLEJJU-UHFFFAOYSA-N,2,1,0.5,34,210,475.242,5.005,5,0.33,0.82,1.0,0.7364728257144816,0.79992803783154,0.8755911178123501,0.9263844150503735,0.8345940991021863
EOS-2-31904,Fc1ccc(-n2nnnc2COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1F,TXSVUMZFBZTORU-UHFFFAOYSA-N,2,1,0.494,34,612,475.246,3.931,5,0.38,0.64,1.0,0.5314748817764375,0.8345812487149613,0.7493317798642999,0.8834898224933178,0.7497194332122542
EOS-2-31905,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)c(Cl)c1,CNLMZDPMFLHCCW-UHFFFAOYSA-N,2,1,0.512,34,612,475.246,3.931,5,0.38,0.63,1.0,0.4786255225824138,0.7212579672400795,0.6602871633198547,0.839927009800562,0.6750244157357275
EOS-2-31906,Fc1cc(F)cc(-n2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)c1,UMUHBLNIMQWYIV-UHFFFAOYSA-N,2,1,0.518,34,612,475.246,3.931,5,0.38,0.59,1.0,0.4381039681995751,0.707525186758961,0.6766671235693236,0.8455126447810294,0.6669522308272223
EOS-2-31907,Fc1ccc(-c2nn[nH]n2)cc1COc1cncc2nnc(-c3c(Cl)ccc(Cl)c3F)n12,XDPSIBJEQOHEGI-UHFFFAOYSA-N,2,1,0.524,34,607,475.246,4.135,5,0.381,0.66,1.0,0.8617212665341649,0.9135425947501885,0.9041189774518539,0.935705229250908,0.9037720169967788
EOS-2-31908,Cn1nc(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)nc1C(F)F,JLAMXNYSNJHTOC-UHFFFAOYSA-N,2,1,0.355,22,542,475.25,3.683,5,0.387,0.55,0.948,0.2706377218833528,0.4839198821191145,0.3415461585909122,0.5230021931327531,0.4047764889315331
EOS-2-31909,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(F)c(C(F)F)n3)n12,KVQADYVUJUPSTB-UHFFFAOYSA-N,2,1,0.537,90,255,424.745,4.03,4,0.45,0.69,0.999,0.8934788568295524,0.9588701939551778,0.9242598176958399,0.9243112192447399,0.9252300219313275
EOS-2-31910,N#Cc1cc(-c2nnc3cncc(OCc4cnnc(-c5ccccc5Cl)n4)n23)ccc1Cl,SUDQKAVFAVKRLQ-UHFFFAOYSA-N,2,1,0.483,34,32,475.299,4.401,5,0.368,0.66,1.0,0.8315314234802276,0.9345915290247413,0.7630816941950518,0.8491792886025632,0.8445959838256459
EOS-2-31911,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(Cl)cc5Cl)n4)n23)cc1,KGSRJBOGAXHLNO-UHFFFAOYSA-N,2,1,0.533,16,401,475.299,4.401,5,0.344,0.71,1.0,0.8954149818381194,0.9248766362826399,0.820274484271126,0.8593996299088479,0.8749914330751833
EOS-2-31912,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)nc4)n23)ccc1Cl,AYADEFNNQZWCQO-UHFFFAOYSA-N,2,1,0.529,73,665,475.299,4.401,5,0.368,0.74,1.0,0.9155044205332054,0.934600095949558,0.7921664039476389,0.8218764992118429,0.8660368549105613
EOS-2-31913,Clc1cccc(-c2ncoc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)c1,OHENXVDNKPOHGR-UHFFFAOYSA-N,2,1,0.341,10,783,475.299,5.001,6,0.354,0.72,1.0,0.022633815365636353,0.10901411829209787,0.5725532862723597,0.7708176273045028,0.36875471180864916
EOS-2-31914,Clc1ccc(-c2nocc2-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,ZPECXOFRDBFKQN-UHFFFAOYSA-N,2,1,0.346,10,783,475.299,5.001,6,0.354,0.64,1.0,0.0385083270509218,0.16583853060105544,0.6461431704475361,0.8178843122472758,0.41709358508669725
EOS-2-31915,N#Cc1cc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)n4)n23)ccc1Cl,WHMVAFRFZKMOLG-UHFFFAOYSA-N,2,1,0.505,4,268,475.299,4.401,5,0.368,0.62,0.996,0.7833853060105544,0.9053611815502707,0.7724967445685696,0.8160681241861422,0.8193278390788843
EOS-2-31916,Oc1cc(-c2nnc3cncc(OCc4cccc(Br)c4)n23)ccc1-c1ccncn1,XRDHUDFBRCNHAY-UHFFFAOYSA-N,2,1,0.565,1,709,475.306,4.295,5,0.405,0.59,1.0,0.9141165787129052,0.7788962374066205,0.7471129463367829,0.69935234048386,0.7848695257350422
EOS-2-31917,COc1cc(-c2ccccn2)ccc1Oc1ncccc1-c1nnc2cncc(Br)n12,MPKLVYKEDQBSFO-UHFFFAOYSA-N,2,1,0.476,14,61,475.306,4.812,5,0.361,0.84,1.0,0.40606366938523747,0.3846377904187513,0.5588976081145912,0.44057124254677543,0.44754257761633887
EOS-2-31918,Brc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c1,MRKGFPPQUIZNRG-UHFFFAOYSA-N,2,1,0.451,54,411,475.31,3.422,5,0.368,0.73,0.996,0.6937581385785758,0.6201853882530327,0.29397402508395587,0.31969193338359264,0.48190237132478925
EOS-2-31919,Fc1ccc(-c2nn3ccccc3c2-c2cncc3nnc(-c4cc(Cl)ccc4Cl)n23)cc1,NIDOYXRQFXOWQJ-UHFFFAOYSA-N,2,1,0.337,83,533,475.314,6.219,6,0.305,0.73,1.0,0.28122644095675414,0.5484973613871564,0.9195565759714893,0.9708296209992461,0.6800274998286615
EOS-2-31920,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5Br)n34)c2)cc1,MNGBTLJRYIGPIC-UHFFFAOYSA-N,2,1,0.627,57,23,475.321,5.939,5,0.316,0.85,1.0,0.9533445274484271,0.9509457884997601,0.9528476458090603,0.9595983825645946,0.9541840860804605
EOS-2-31921,Fc1ccc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1-c1ccccc1,AHHKNIJJSNYUCY-UHFFFAOYSA-N,2,1,0.729,83,23,475.321,5.939,5,0.316,0.85,1.0,0.9839627167431979,0.9758241381673635,0.9549037077650606,0.9596069494894113,0.9685743780412583
EOS-2-31922,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)cc2)c1,CNCBTGAINDHBOD-UHFFFAOYSA-N,2,1,0.725,83,23,475.321,5.939,5,0.316,0.89,1.0,0.9778544993489137,0.9778716331985471,0.9592471386471112,0.9637876087999452,0.9696902199986293
EOS-2-31923,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Br)c5)n34)cc2)cc1,USXVVXHQOIBWQR-UHFFFAOYSA-N,2,1,0.761,83,23,475.321,5.939,5,0.316,0.88,1.0,0.9857360701802481,0.9769378383935302,0.9588273593310945,0.9631707902131451,0.9711680145295044
EOS-2-31924,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Br)n34)cc2)cc1,NZZXJFOQFQVQRV-UHFFFAOYSA-N,2,1,0.686,83,23,475.321,5.939,5,0.316,0.86,1.0,0.9839712836680146,0.9795935850866972,0.9565571242546775,0.9613032006031115,0.9703562984031252
EOS-2-31925,Fc1cccc(Br)c1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,ANFCDPSVOUNDOW-UHFFFAOYSA-N,2,1,0.611,12,650,475.321,5.939,5,0.316,0.8,1.0,0.9737680762113632,0.9648327736275787,0.944914673428826,0.9512884654924268,0.9587009971900486
EOS-2-31926,CCn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1nnc(Cl)s1,STGYFJZXMGCGHP-UHFFFAOYSA-N,2,1,0.337,53,924,475.325,3.202,5,0.364,0.58,0.981,0.22748612158179699,0.17861181550270716,0.013244465766568432,0.035064423274621344,0.11360170653142349
EOS-2-31927,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cc1-c1ccc(Cl)s1,OJAGMPURQQFWGQ-UHFFFAOYSA-N,2,1,0.438,95,998,475.336,5.278,5,0.346,0.73,1.0,0.4521794256733603,0.4623912000548283,0.8010674388321568,0.8692087588239326,0.6462117058460695
EOS-2-31928,Fc1c(F)c(F)c(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)c(F)c1F,WJSHFBULASZKAL-UHFFFAOYSA-N,2,1,0.46,54,442,475.337,3.553,5,0.209,0.67,0.986,0.7746727434720033,0.6731289836200397,0.905172709204304,0.8738006305256665,0.8066937667055034
EOS-2-31929,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1,OOKUUQIYZHQVRM-UHFFFAOYSA-N,2,1,0.797,91,660,475.35,4.576,5,0.36,0.79,1.0,0.8727725995476664,0.8196662326091426,0.7007658830786101,0.65047803440477,0.7609206874100474
EOS-2-31930,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Br)c5)n34)cc2)cn1,CIZOIYHFLHWTMB-UHFFFAOYSA-N,2,1,0.707,91,322,475.35,4.576,5,0.36,0.77,1.0,0.7543434308820506,0.8042372010143239,0.7266208621753135,0.6793657048865739,0.7411417997395654
EOS-2-31931,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ncc(Cl)cc3Cl)n12,IKJZQMPCDWHKIB-UHFFFAOYSA-N,2,1,0.56,23,708,424.65,4.865,4,0.468,0.75,1.0,0.7183794805016791,0.8236412857240765,0.934934206017408,0.9749246110616133,0.8629698958261942
EOS-2-31932,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(Cl)c4)n23)ccc1Cl,GGXFEXSHAPNBLT-UHFFFAOYSA-N,2,1,0.644,23,255,424.65,4.865,4,0.438,0.73,1.0,0.9687050236447124,0.9731598245493798,0.9746676033171133,0.9878949352340484,0.9761068466863134
EOS-2-31933,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cnc1Cl,HBLTZXVVNOVZIV-UHFFFAOYSA-N,2,1,0.579,23,255,424.65,4.865,4,0.438,0.75,1.0,0.9210300870399561,0.9588787608799945,0.9684908505242958,0.9851535192927147,0.9583883044342403
EOS-2-31934,Clc1ccc(-c2nnc3cncc(-c4ccnc(-c5nc6cc(Cl)ccc6s5)c4)n23)cc1,GTVIXYHZBZKAEH-UHFFFAOYSA-N,2,1,0.392,83,533,475.364,6.437,6,0.295,0.77,1.0,0.34989034336234665,0.6487389486669864,0.8090004112123912,0.9068346926187376,0.6786160989651155
EOS-2-31935,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)no2)c(F)c1,JLWQUNUKAIMNDG-UHFFFAOYSA-N,2,1,0.378,6,335,475.375,3.144,6,0.35,0.69,1.0,0.49567370296758273,0.47521588650538005,0.3012216434788568,0.33246521828524433,0.401144112809266
EOS-2-31936,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)cc(F)c1-c1ccno1,OYZGZPZUZZYDKB-UHFFFAOYSA-N,2,1,0.529,80,401,475.375,3.144,6,0.35,0.59,1.0,0.5738897265437598,0.5388253032691385,0.4417192104722089,0.43125042834624083,0.496421167157837
EOS-2-31937,Clc1ccc(CCCOc2cncc3nnc(-c4ccc(Cl)cc4-c4ccccc4)n23)cc1,HZIIZLDROAVVIK-UHFFFAOYSA-N,2,1,0.588,79,650,475.379,6.777,5,0.244,0.81,1.0,0.9687135905695292,0.9864214241655815,0.9073487081077376,0.9512970324172435,0.9534451888150229
EOS-2-31938,Clc1csc(Cl)c1CCOc1cncc2nnc(-c3cccc(-c4cnns4)c3)n12,ZRPKQTAMBDTUNK-UHFFFAOYSA-N,2,1,0.566,37,438,475.386,5.3,5,0.332,0.59,1.0,0.54961962853814,0.6879411966280584,0.5913576862449456,0.7133335617846618,0.6355630182989515
EOS-2-31939,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c(Cl)c2)s1,RKOILBFDDUPWGA-UHFFFAOYSA-N,2,1,0.5,4,554,475.386,5.566,5,0.331,0.73,1.0,0.6111558494962648,0.7446970735384826,0.5081985470495511,0.6155506819272154,0.6199005380028785
EOS-2-31940,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccc2Cl)s1,NUEKAJICBHFBHY-UHFFFAOYSA-N,2,1,0.512,4,554,475.386,5.566,5,0.331,0.74,1.0,0.6790058940442739,0.8414347885682956,0.5043948324309506,0.6241090398190665,0.6622361387156467
EOS-2-31941,Fc1cccc(-c2nc(C(F)F)oc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c1,HOXKHBDSVMTDGK-UHFFFAOYSA-N,2,1,0.358,9,152,475.39,5.24,6,0.333,0.72,1.0,0.2520731958056336,0.45780789527791105,0.7344938660818313,0.7347508738263313,0.5447814577479269
EOS-2-31942,FCc1nc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cc(F)ccc6F)n5)n34)cc2)no1,KYOSPWFUBCIPHF-UHFFFAOYSA-N,2,1,0.315,3,635,475.394,3.837,6,0.37,0.72,1.0,0.13629977383318484,0.32242478240010963,0.4156157905558221,0.49944314988691657,0.3434458741690083
EOS-2-31943,N#Cc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)c1,IHDBTXXAFFGBNF-UHFFFAOYSA-N,2,1,0.522,27,535,475.394,3.508,5,0.375,0.62,1.0,0.8109708039202248,0.837965184017545,0.9177489548351724,0.8138407237338086,0.8451314166266877
EOS-2-31944,N#Cc1ccc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)cc1-c1ccc(F)c(F)c1,TYZLQCHNWQCBFP-UHFFFAOYSA-N,2,1,0.561,57,853,475.405,5.465,5,0.315,0.68,1.0,0.9858731409773148,0.9838513467205812,0.9933777671167158,0.995613734493866,0.9896789973271194
EOS-2-31945,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnnn6C(F)F)nn5C)n34)cc2)o1,UEUARFJHDWKHEV-UHFFFAOYSA-N,2,1,0.283,98,866,475.423,3.204,6,0.369,0.68,0.999,0.202522102666027,0.3072099239257076,0.17719827290795695,0.17275203892810637,0.21492058460694952
EOS-2-31946,O=C(NCCCF)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnco5)c4)n23)cn1,FJENNODFONAFJO-UHFFFAOYSA-N,2,1,0.426,92,879,475.444,2.3,5,0.315,0.76,1.0,0.342814063463779,0.14646871359056954,0.06386642450825851,0.044385237475155916,0.14938360975944073
EOS-2-31947,Cn1nnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5F)n34)s2)n1,SEQJHVDQYXXJDE-UHFFFAOYSA-N,2,1,0.306,98,261,475.448,2.841,6,0.378,0.59,1.0,0.19151360427660888,0.292217805496539,0.10013021725721336,0.16460489342745527,0.18711663011445412
EOS-2-31948,Fc1cc(-c2nnc3cncc(-c4ccnc(-c5nnc6ccccn56)c4)n23)ccc1-c1nc[nH]n1,PKSJEXKIFKCZBM-UHFFFAOYSA-N,2,1,0.295,3,7,475.451,3.487,7,0.41,0.66,1.0,0.2730707285312864,0.2713230758686862,0.36427421012953193,0.4405798094715921,0.33731195600027414
EOS-2-31949,COc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)cn5)cc4)n23)c1,NYIZYCIBVWUKMH-UHFFFAOYSA-N,2,1,0.63,1,640,475.455,5.042,5,0.311,0.8,1.0,0.9760211774381468,0.9444520594887259,0.9431156192173258,0.8778527859639503,0.9353604105270371
EOS-2-31950,COc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,SWWPFGAWRZMWGG-UHFFFAOYSA-N,2,1,0.675,1,640,475.455,5.042,5,0.311,0.79,1.0,0.9721146597217463,0.9115293674182715,0.9294856418340073,0.857720512644781,0.9177125454047015
EOS-2-31951,COc1cc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1ccc(CO)nc1,SHHITBRRJXBHNQ-UHFFFAOYSA-N,2,1,0.516,1,521,475.455,4.211,5,0.377,0.62,1.0,0.9017373723528203,0.8447844561716127,0.930290932766774,0.8722757179082996,0.8872721197998766
EOS-2-31952,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(F)ccc6F)c5)n34)s2)nc1,GHHMLTOTWYSTBP-UHFFFAOYSA-N,2,1,0.269,10,673,475.459,5.185,6,0.351,0.68,0.963,0.028253718045370434,0.13545164827633474,0.8475772736618463,0.8864282777054349,0.4744277294222466
EOS-2-31953,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cn(C)c2=O)cn1,KMELFPMUEKZTCC-UHFFFAOYSA-N,2,1,0.522,84,4,475.459,3.155,5,0.372,0.65,1.0,0.3797632101980673,0.20051744225892673,0.6461517373723529,0.5850695634295113,0.4528754883147146
EOS-2-31954,COc1cc(F)ccc1-c1nnc2cncc(OCc3nc(-c4ccc(F)cc4)nn3C3CC3)n12,YYMAATCEZFVKFG-UHFFFAOYSA-N,2,1,0.483,34,372,475.459,4.251,6,0.347,0.74,1.0,0.5157631416626688,0.6292663285587006,0.17051607155095608,0.332473785210061,0.41200483174559666
EOS-2-31955,OC1CC(Oc2cc(F)ccc2-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)cn4)n23)CC1F,QMOQDOFHYMQJQB-UHFFFAOYSA-N,2,1,0.297,82,985,475.459,3.623,6,0.399,0.37,0.344,0.40819683366458775,0.502527242820917,0.9041275443766705,0.8876533479542184,0.6756262422040984
EOS-2-31956,Fc1cc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)cc1F,OKDHVSIIIRZBFV-UHFFFAOYSA-N,2,1,0.299,3,150,475.459,5.185,6,0.328,0.64,1.0,0.0823110136385443,0.30207833596052364,0.9185799465423892,0.9232317867178398,0.5565502707148242
EOS-2-31957,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ncc(F)cc1C,FUBFTCUVIMQWMA-UHFFFAOYSA-N,2,1,0.422,49,501,475.459,3.86,5,0.35,0.65,0.759,0.7214978411349462,0.5622901103419916,0.4452659173463094,0.3744517168117333,0.5258763964087452
EOS-2-31958,FC(F)COCc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,LPZRCBQSBLQLEU-UHFFFAOYSA-N,2,1,0.479,27,343,475.459,4.004,5,0.315,0.72,1.0,0.6967993968884929,0.5766140086354602,0.7942567336029059,0.6909481872387088,0.6896545815913919
EOS-2-31959,Cc1cc(=O)n(C)nc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)cn1,NFURKWZIRRHVIK-UHFFFAOYSA-N,2,1,0.54,84,524,475.459,3.155,5,0.372,0.65,0.999,0.5265231992324035,0.4885288876704818,0.47338256459461314,0.4627938455212117,0.48780712425467754
EOS-2-31960,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1-c1cnc(C)cn1,LKLHNDNPHBERTF-UHFFFAOYSA-N,2,1,0.44,49,501,475.459,3.86,5,0.35,0.61,1.0,0.72459906791858,0.5917774655609622,0.5725618531971763,0.4690819683366459,0.5895050887533412
EOS-2-31961,CCOc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cncc(F)c1,WOTPXAGHXQJUMZ-UHFFFAOYSA-N,2,1,0.44,49,773,475.459,3.942,5,0.311,0.62,1.0,0.7543519978068672,0.6201939551778494,0.5785672674936605,0.49640189157699954,0.6123787780138441
EOS-2-31962,Fc1cc(F)c(F)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)c1,IOSHDILVBOBQHW-UHFFFAOYSA-N,2,1,0.306,3,150,475.459,5.185,6,0.328,0.74,1.0,0.05204406826125694,0.29222637242135563,0.8925964635734357,0.8986190117195532,0.5338714789939003
EOS-2-31963,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1cncc(C)n1,ARJNZBYIDNHQHN-UHFFFAOYSA-N,2,1,0.556,49,308,475.459,3.86,5,0.35,0.57,1.0,0.7663970940991022,0.5819255020217943,0.584975327256528,0.4780772393941471,0.6028437906928928
EOS-2-31964,CN(C)Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)cn1,WVODIKDIGNBKGJ-UHFFFAOYSA-N,2,1,0.386,92,511,475.463,2.957,5,0.351,0.67,1.0,0.41716640394763893,0.33150572270577755,0.5456274415735728,0.4312589952710575,0.43138964087451165
EOS-2-31965,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2F)nc1C1CC1,SWQPDVZXSUONKI-UHFFFAOYSA-N,2,1,0.422,31,814,475.463,3.154,6,0.33,0.55,0.012,0.5314834487012542,0.4446405318346926,0.029076142827770542,0.0932252758549791,0.27460634980467413
EOS-2-31966,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccc(F)s6)n5)n34)cc2)n[nH]1,HLUINUJYCCJTRV-UHFFFAOYSA-N,2,1,0.436,56,425,475.469,3.714,6,0.383,0.6,1.0,0.7215064080597628,0.5819340689466109,0.11926016037283257,0.11940579809471592,0.3855266088684805
EOS-2-31967,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cc(C#N)cn6)cn5)n34)cc2)o1,GOQDOVFTWJHWGI-UHFFFAOYSA-N,2,1,0.495,40,932,475.472,3.786,6,0.353,0.7,1.0,0.34528133781097936,0.4224179288602563,0.5253409636077033,0.4122318552532383,0.4263180213830443
EOS-2-31968,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cn2)cc1,ZUZPQXRFMRFMSS-UHFFFAOYSA-N,2,1,0.411,28,868,475.472,3.805,6,0.336,0.72,1.0,0.3681207593722157,0.2972637242135563,0.36794085395106574,0.3043143033376739,0.3344099102186279
EOS-2-31969,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6ncncn6)cn5)n34)nc2)cc1,INYMGKOOBSXUDY-UHFFFAOYSA-N,2,1,0.434,28,414,475.472,3.805,6,0.336,0.77,1.0,0.4126859022685217,0.3020869028853403,0.34531560551024604,0.2858697142073881,0.336489531217874
EOS-2-31970,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)cc2)n[nH]1,DCEACJXARRHPFN-UHFFFAOYSA-N,2,1,0.444,40,868,475.472,2.973,6,0.385,0.67,0.998,0.46610067850044545,0.3364317044753615,0.4050527722568707,0.34845109999314644,0.38900906380645606
EOS-2-31971,Cc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)nn1,NDQFYOQGHWBSKG-UHFFFAOYSA-N,2,1,0.417,6,297,475.476,2.778,6,0.351,0.63,1.0,0.43113905832362415,0.3705366321705161,0.056173326022890824,0.04993660475635666,0.22694640531834692
EOS-2-31972,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnccn6)n5)n34)cn2)cn1,QPGOCBRRXNKXAZ-UHFFFAOYSA-N,2,1,0.381,80,277,475.476,2.778,6,0.351,0.59,1.0,0.4311476252484408,0.32243334932492634,0.16432218490850525,0.11716126379274895,0.25876610581865533
EOS-2-31973,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cc2)nn1,QLVXSXZXDVQHQK-UHFFFAOYSA-N,2,1,0.404,80,350,475.476,2.778,6,0.351,0.66,1.0,0.44030566787745873,0.3802429579878007,0.19014289630594203,0.15154890000685353,0.2905601055445137
EOS-2-31974,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cccnn6)c5)n34)cn2)n1,QTGHBZIXFKLGAD-UHFFFAOYSA-N,2,1,0.432,6,843,475.476,2.778,6,0.351,0.59,0.984,0.5417808923308889,0.3562298677266808,0.1643307518333219,0.13458638886985128,0.29923197519018574
EOS-2-31975,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cnccn6)n5)n34)cc2)nn1,BEVBNQFZJVDZEL-UHFFFAOYSA-N,2,1,0.415,56,147,475.476,2.778,6,0.351,0.57,1.0,0.5157717085874854,0.42242649578507296,0.09762010828592968,0.0769909533273936,0.2782023164964704
EOS-2-31976,c1cc(-c2cncc(CCOc3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)n2)ncn1,HODRAQUMXTYWHM-UHFFFAOYSA-N,2,1,0.416,80,165,475.476,2.512,6,0.336,0.58,1.0,0.5033411006785005,0.4489154273182099,0.15467582756493728,0.13686519087108492,0.31094938660818316
EOS-2-31977,Cc1ncncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cnn1,MRKQKHJTZCYKET-UHFFFAOYSA-N,2,1,0.406,80,34,475.476,2.778,6,0.351,0.65,0.997,0.31844116236035913,0.21490987595092864,0.1222328832842163,0.09323384277979577,0.18720444109382497
EOS-2-31978,COc1cc(-c2nnc3cncc(OCCNCc4cccc(F)c4)n23)ccc1-c1nc(C)no1,KTUGZWFGEAMDKR-UHFFFAOYSA-N,2,1,0.458,91,313,475.484,3.466,5,0.32,0.81,1.0,0.5109142622164348,0.25076245630868343,0.3869765608937016,0.27385888561441984,0.35562804125830993
EOS-2-31979,COCCn1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5OC)n34)cn2)c1,KXFNKKYXNNFNCD-UHFFFAOYSA-N,2,1,0.422,55,823,475.484,3.423,5,0.32,0.74,0.988,0.46835377972722914,0.3755054485641834,0.4804074429442807,0.3357806181892948,0.41501182235624706
EOS-2-31980,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)nn2)cc1,QSFPYKITGYSLFL-UHFFFAOYSA-N,2,1,0.451,12,897,475.487,5.028,6,0.334,0.81,1.0,0.5821825097662943,0.5819426358714276,0.640034953053252,0.6793742718113905,0.620883592625591
EOS-2-31981,Fc1cccc(-c2cnc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cc5)n34)cn2)c1,IPUJVIBNHMOWCY-UHFFFAOYSA-N,2,1,0.467,41,427,475.487,5.028,6,0.334,0.84,1.0,0.7246076348433966,0.620202522102666,0.7816804879720376,0.789536358028922,0.7290067507367556
EOS-2-31982,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)c5)n34)cc2)nn1,HJHOKPRNZKENGM-UHFFFAOYSA-N,2,1,0.506,12,323,475.487,5.028,6,0.334,0.75,1.0,0.8880731272702351,0.7258755397162634,0.8112021108902748,0.7870776506065382,0.8030571071208279
EOS-2-31983,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)ccn2)cn1,WHVNRLVXSBPQIZ-UHFFFAOYSA-N,2,1,0.489,77,427,475.487,5.028,6,0.312,0.8,1.0,0.8806456034541841,0.7999366047563566,0.7989000068535399,0.7528527859639503,0.8080837502570076
EOS-2-31984,Fc1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)c2)ccn1,GUGGUNFVXSHXPR-UHFFFAOYSA-N,2,1,0.511,41,427,475.487,5.028,6,0.312,0.67,1.0,0.8916969364676856,0.7705691864848194,0.8460180933452128,0.8114848194092249,0.8299422589267357
EOS-2-31985,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)c1,OYBMBMFFAXFRAR-UHFFFAOYSA-N,2,1,0.576,41,592,475.487,5.028,6,0.334,0.74,1.0,0.7917808923308889,0.735247755465698,0.8067644438352409,0.787086217531355,0.7802198272907958
EOS-2-31986,Fc1ccnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)c1,ANEMEHQVKCEGAH-UHFFFAOYSA-N,2,1,0.446,28,363,475.487,5.028,6,0.334,0.73,1.0,0.8661075320402988,0.7306216160646974,0.7655832362415187,0.7553200603111507,0.7794081111644164
EOS-2-31987,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cn5)n34)cc2)c1,KVBQKEKLRWILBH-UHFFFAOYSA-N,2,1,0.641,41,592,475.487,5.028,6,0.334,0.73,1.0,0.7917894592557055,0.7489719690219999,0.8241553012130766,0.8007076279898567,0.7914060893701597
EOS-2-31988,COc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4ncc(F)cn4)cn3)n12,MWJOPEBRFGBTMR-UHFFFAOYSA-N,2,1,0.388,93,651,475.487,5.125,6,0.342,0.7,1.0,0.554545610307724,0.4578164622027277,0.690014392433692,0.6587622507024878,0.5902846789116579
EOS-2-31989,COc1ccc(-c2cncnc2)cc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)nc3)n12,DKXWYNIISJRPCQ-UHFFFAOYSA-N,2,1,0.326,69,696,475.487,5.125,6,0.342,0.83,1.0,0.4311561921732575,0.4981324103899664,0.8493848947981633,0.8138492906586252,0.6481306970050031
EOS-2-31990,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)c1,DHXYGKDKSXIQGT-UHFFFAOYSA-N,2,1,0.61,12,492,475.487,5.028,6,0.334,0.81,1.0,0.7778082379549037,0.7258841066410802,0.7630902611198684,0.7373809197450483,0.7510408813652252
EOS-2-31991,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccncc6)cc5)n34)nc2)cn1,FUGWCOHJNSOROB-UHFFFAOYSA-N,2,1,0.437,41,190,475.487,5.028,6,0.312,0.82,1.0,0.7119628538139949,0.6436587622507025,0.8380422863408951,0.8070985539030909,0.7501906140771708
EOS-2-31992,Fc1cc(-c2ccccc2)cc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)c1,RBARYIAIBMPGIH-UHFFFAOYSA-N,2,1,0.614,41,696,475.487,5.028,6,0.334,0.74,1.0,0.5765540401617435,0.6245545199095333,0.8202830511959427,0.8071071208279076,0.7071246830237817
EOS-2-31993,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)ccn1,DYVIJAYEUQUUAJ-UHFFFAOYSA-N,2,1,0.593,41,592,475.487,5.028,6,0.312,0.74,1.0,0.7516362826399835,0.7352563223905147,0.8277191419368104,0.7941110958810226,0.7771807107120828
EOS-2-31994,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)cc1,YFHXWEDKRRQPKK-UHFFFAOYSA-N,2,1,0.59,28,120,475.487,5.028,6,0.334,0.79,1.0,0.6790144609690906,0.7617538208484682,0.7471215132615996,0.7291224042217805,0.7292530498252348
EOS-2-31995,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5cccnn5)n34)cn2)cc1,DOTVEYMDVOKSPQ-UHFFFAOYSA-N,2,1,0.5,77,177,475.487,5.028,6,0.334,0.76,1.0,0.8109793708450415,0.8080494825577411,0.7795130559934206,0.777979576451237,0.79413037146186
EOS-2-31996,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,RFGJAJNFYBEFPQ-UHFFFAOYSA-N,2,1,0.483,41,427,475.487,5.028,6,0.312,0.7,1.0,0.8880816941950518,0.8080580494825578,0.7445514358165993,0.710617846617778,0.7878272565279968
EOS-2-31997,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)cn1,BBFIXWUFNXQVQE-UHFFFAOYSA-N,2,1,0.506,12,285,475.487,5.028,6,0.312,0.78,1.0,0.8806541703790007,0.8196747995339593,0.744560002741416,0.737389486669865,0.7955696148310603
EOS-2-31998,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(O)cc6)c(F)c5)n34)nc2)cn1,IGHJQSDZMXHWSH-UHFFFAOYSA-N,2,1,0.318,32,479,475.487,5.13,6,0.377,0.69,1.0,0.41717497087245564,0.48853745459529846,0.7942653005277226,0.7659516140086354,0.616482335001028
EOS-2-31999,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)c5)n34)nc2)cn1,BAPBHHQDPUXABO-UHFFFAOYSA-N,2,1,0.435,41,190,475.487,5.028,6,0.312,0.74,1.0,0.7634243711877184,0.6245630868343499,0.8202916181207593,0.7985830306353231,0.7517155266945377
EOS-2-32000,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)nc1,XFYRCRCHPCTFEM-UHFFFAOYSA-N,2,1,0.494,12,285,475.487,5.028,6,0.334,0.77,1.0,0.8214652868206429,0.7705777534096361,0.7033445274484271,0.7133421287094784,0.7521824240970462
EOS-2-32001,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc1-c1cccnn1,QGIQPIRTOFUBAR-UHFFFAOYSA-N,2,1,0.446,77,177,475.487,5.028,6,0.334,0.76,1.0,0.7426667123569324,0.6157220204235487,0.7839507230484545,0.782494345829621,0.7312084504146392
EOS-2-32002,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)cc5)n34)cc2)nc1,RLWPTQHRPOLXRR-UHFFFAOYSA-N,2,1,0.554,77,323,475.487,5.028,6,0.334,0.79,1.0,0.9334349941744912,0.7833938729353711,0.8168648481940922,0.7895449249537386,0.8308096600644232
EOS-2-32003,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cc5)n34)cc2)nn1,XPAYLIGYQGKJCL-UHFFFAOYSA-N,2,1,0.536,77,427,475.487,5.028,6,0.334,0.8,1.0,0.8706308683434995,0.7617623877732849,0.7816890548968543,0.7477983003221164,0.7904701528339387
EOS-2-32004,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)n23)ccc1-c1ccccn1,JISBFDWTTRIVHO-UHFFFAOYSA-N,2,1,0.588,28,667,475.487,5.028,6,0.334,0.72,1.0,0.7602717428551847,0.7352648893153314,0.734502433006648,0.7106264135425947,0.7351663696799398
EOS-2-32005,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)cc2)nc1,APDIDSCTWCFVEN-UHFFFAOYSA-N,2,1,0.545,41,120,475.487,5.028,6,0.334,0.76,1.0,0.7720084298540196,0.7400880679871154,0.739299910903982,0.7133506956342951,0.7411867760948531
EOS-2-32006,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cn1,UTQZQICSUTWHHE-UHFFFAOYSA-N,2,1,0.457,12,363,475.487,5.028,6,0.312,0.77,1.0,0.6481992324035364,0.6731375505448565,0.7033530943732438,0.6854225207319581,0.6775280995133987
EOS-2-32007,Fc1cncc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,ZHDVOCWSZAXFBR-UHFFFAOYSA-N,2,1,0.535,12,285,475.487,5.028,6,0.334,0.77,1.0,0.7778168048797204,0.7665341648961689,0.6872901103419916,0.6993609074086766,0.7327504968816394
EOS-2-32008,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)c5)n34)nn2)cc1,ZEBCBTCYFQHQII-UHFFFAOYSA-N,2,1,0.478,77,897,475.487,5.028,6,0.334,0.81,1.0,0.7336286066753478,0.6245716537591666,0.7725053114933863,0.7917980261805222,0.7306258995271058
EOS-2-32009,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nnc1-c1ccccc1,OJTVHXVUTRDNHE-UHFFFAOYSA-N,2,1,0.429,12,897,475.487,5.028,6,0.334,0.7,0.999,0.5443081351518059,0.5485059283119731,0.6042080734699472,0.6504866013295867,0.5868771845658283
EOS-2-32010,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5ccccc5)n34)cc2)nn1,WFQQPUIVIUCGNU-UHFFFAOYSA-N,2,1,0.494,12,808,475.487,5.028,6,0.334,0.74,1.0,0.8986961140429032,0.7665427318209855,0.7058203687204441,0.6909567541635254,0.7655039921869645
EOS-2-32011,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c1,XBOGSDIPVRQJQB-UHFFFAOYSA-N,2,1,0.517,12,285,475.487,5.028,6,0.334,0.78,1.0,0.742675279281749,0.7167774655609622,0.7318466863134809,0.7451339867041327,0.7341083544650813
EOS-2-32012,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nc5)n34)cc2)nc1,QOKXBJDRDVSJCH-UHFFFAOYSA-N,2,1,0.523,41,427,475.487,5.028,6,0.334,0.82,1.0,0.9478616955657597,0.7705863203344527,0.7964927009800562,0.7553286272359674,0.817567336029059
EOS-2-32013,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)n5)cn4)n23)cc1,CAUIOXODNYZEMN-UHFFFAOYSA-N,2,1,0.386,93,479,475.487,5.125,6,0.32,0.67,1.0,0.4427129737509424,0.4981409773147831,0.772513878418203,0.7047238023439106,0.6045229079569598
EOS-2-32014,Fc1cc(-c2nnc3cncc(OCc4ccccc4-c4ccccn4)n23)ccc1-c1ccnnc1,VQHFSPLNNFZLEQ-UHFFFAOYSA-N,2,1,0.478,77,177,475.487,5.028,6,0.334,0.66,1.0,0.8787180453704339,0.7876087999451716,0.827727708861627,0.809343088205058,0.8258494105955726
EOS-2-32015,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)nc1,BLNRXWLYAFBNHN-UHFFFAOYSA-N,2,1,0.566,12,285,475.487,5.028,6,0.334,0.73,1.0,0.9386094167637585,0.7746898773216366,0.6928414776231924,0.6879925981769583,0.7735333424713864
EOS-2-32016,Fc1ccccc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,GOFKVRSQHFCZKV-UHFFFAOYSA-N,2,1,0.46,12,363,475.487,5.028,6,0.334,0.81,1.0,0.777825371804537,0.7834024398601878,0.6845486944006579,0.7047323692687273,0.7376272188335276
EOS-2-32017,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)cc2)cn1,HVFXFHKQKMMOHH-UHFFFAOYSA-N,2,1,0.529,41,190,475.487,5.028,6,0.312,0.73,1.0,0.8934874237543692,0.7705948872592694,0.8743060790898499,0.845521211705846,0.8459774004523336
EOS-2-32018,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)c1,XQGYEJIBZAKEAJ-UHFFFAOYSA-N,2,1,0.5,12,285,475.487,5.028,6,0.334,0.73,1.0,0.7889795079158385,0.7489805359468166,0.7445685696662326,0.747806867246933,0.7575838701939552
EOS-2-32019,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)cn1,MOMJAMDPTFDYGI-UHFFFAOYSA-N,2,1,0.583,41,592,475.487,5.028,6,0.312,0.75,1.0,0.7119714207388116,0.712245562332945,0.7921749708724556,0.7502827085189501,0.7416686656157906
EOS-2-32020,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)nn1,GTIDNCSGJBSWAZ-UHFFFAOYSA-N,2,1,0.419,12,897,475.487,5.028,6,0.334,0.76,1.0,0.6937667055033925,0.6010897128366801,0.6400435199780686,0.6824754985950243,0.6543438592282913
EOS-2-32021,COc1ncc(-c2ccc(F)nc2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,UYKPIMDQRGOEBN-UHFFFAOYSA-N,2,1,0.322,30,737,475.487,5.125,6,0.32,0.69,1.0,0.45442395997532725,0.4752244534301967,0.7318552532382976,0.6965509560688096,0.5895136556781578
EOS-2-32022,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)cn4)n23)cn1,QFNWIQWWPLIQOK-UHFFFAOYSA-N,2,1,0.529,41,667,475.487,5.028,6,0.334,0.81,1.0,0.6666181207593722,0.7122541292577617,0.790127475841272,0.7730107600575697,0.7355026214789939
EOS-2-32023,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cc5)n34)nc2)cn1,LFZJKNPYVAFTNG-UHFFFAOYSA-N,2,1,0.477,41,427,475.487,5.028,6,0.312,0.83,1.0,0.7634329381125351,0.6487475155918032,0.7921835377972722,0.7605887190734014,0.741238177643753
EOS-2-32024,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ncccc5F)cc4)n23)c(Oc2ccccc2)n1,KRBDMJVUXCZMAD-UHFFFAOYSA-N,2,1,0.371,69,220,475.487,5.55,6,0.323,0.73,1.0,0.5443167020766225,0.5964550065108628,0.6544616544445206,0.6329329723802344,0.6070415838530601
EOS-2-32025,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)ccn2)cn1,KOCAZDFASAYKLF-UHFFFAOYSA-N,2,1,0.506,12,285,475.487,5.028,6,0.334,0.8,1.0,0.9034164896168871,0.8080666164073744,0.7561167843191008,0.739993831814132,0.8018984305393736
EOS-2-32026,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)cn1,LJWBWPKVEWAJAA-UHFFFAOYSA-N,2,1,0.451,41,363,475.487,5.028,6,0.312,0.74,1.0,0.8456754163525461,0.7075337536837777,0.8010760057569735,0.7754180659310533,0.7824258104310876
EOS-2-32027,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cc5)n34)c2)nn1,YIZGNNKWGMWKCU-UHFFFAOYSA-N,2,1,0.494,77,808,475.487,5.028,6,0.334,0.8,1.0,0.7215149749845795,0.6292748954835172,0.8090089781372078,0.784738880131588,0.7361344321842231
EOS-2-32028,COc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncc(F)c6)cc5)n34)cc2)cn1,OROOOPZLQIHYKS-UHFFFAOYSA-N,2,1,0.337,69,645,475.487,5.125,6,0.342,0.73,1.0,0.5291361113014872,0.5159173463093688,0.8048368857514906,0.7581214447262011,0.652002947022137
EOS-2-32029,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)c2)nn1,LYGHRZFDAJIJFQ-UHFFFAOYSA-N,2,1,0.517,12,808,475.487,5.028,6,0.334,0.78,1.0,0.7336371736001644,0.6106332670824481,0.7345109999314646,0.7133592625591118,0.6980351757932972
EOS-2-32030,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)cc1,ZREOMDMJVVFSAZ-UHFFFAOYSA-N,2,1,0.535,12,492,475.487,5.028,6,0.334,0.78,1.0,0.7634415050373518,0.7577016654101844,0.7561253512439174,0.7632187649921184,0.7601218216708929
EOS-2-32031,COc1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1nc(C)nn1C(C)C,GHCVIUPLDJGKKX-UHFFFAOYSA-N,2,1,0.418,31,456,475.488,3.456,5,0.326,0.63,0.676,0.3820505791241176,0.30209546981015695,0.09289973271194572,0.036041052703721474,0.20327170858748544
EOS-2-32032,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6F)cn5)n34)nc2)c(C)n1,GPXGFXKZLSPIFW-UHFFFAOYSA-N,2,1,0.297,32,392,475.491,4.523,6,0.343,0.55,0.996,0.26263621410458504,0.3072184908505243,0.5009423617298334,0.4472020423548763,0.37949977725995476
EOS-2-32033,Cc1c(-c2nnc3cncc(-c4cnn(-c5cccc(C#N)c5)c4)n23)c(-c2ccc(F)cc2)nn1C,RDECNXVATIPSQO-UHFFFAOYSA-N,2,1,0.324,3,668,475.491,4.364,6,0.375,0.73,1.0,0.002450140497566993,0.20503221163731067,0.5785758344184772,0.632941539305051,0.35474993146460143
EOS-2-32034,Cc1cc(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)nn2)nn1,SNIOGZPDXZTUEC-UHFFFAOYSA-N,2,1,0.329,38,270,475.491,4.523,6,0.343,0.65,1.0,0.29778630662737304,0.4224350627098897,0.45255637036529367,0.4658522376807621,0.40965749434582965
EOS-2-32035,CCn1cc(-c2cccc(-c3nnc4cncc(OCCCc5ccccc5)n34)c2)cn1,NZKBEUMUNXJZBK-UHFFFAOYSA-N,2,1,0.619,91,322,424.508,4.686,5,0.338,0.8,1.0,0.3498989102871633,0.219904393119046,0.39806216160646973,0.38084264272496743,0.3371770269344116
EOS-2-32036,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cc1,LZGGXKILIWLVHF-UHFFFAOYSA-N,2,1,0.472,21,452,424.507,6.792,6,0.313,0.86,1.0,0.25445480090466727,0.28686347748612157,0.9242683846206565,0.9456771297375094,0.6028159481872387
EOS-2-32037,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccccc6)c5)n34)cc2)cc1,URRWMHKBITUOTB-UHFFFAOYSA-N,2,1,0.439,21,452,424.507,6.792,6,0.313,0.77,1.0,0.23577033787951476,0.27133164279350286,0.919565142896306,0.9441093824960592,0.5926941265163457
EOS-2-32038,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)s5)n34)cc2)cn1,KPNOCUFJDBWSKG-UHFFFAOYSA-N,2,1,0.22,38,727,424.493,4.31,6,0.455,0.59,1.0,0.04154958536083887,0.08658590912206154,0.4487183880474265,0.44721060927969297,0.256016122952505
EOS-2-32039,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)s5)n34)s2)cc1,JREOTVGRELUNCG-UHFFFAOYSA-N,2,1,0.316,76,541,475.509,5.379,6,0.341,0.72,0.966,0.0987595092865465,0.24572510451648277,0.49067061887464875,0.6270046604071002,0.3655399732711946
EOS-2-32040,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5F)n34)c2)s1,AGTCIXYCOXWWIL-UHFFFAOYSA-N,2,1,0.359,3,923,475.509,5.379,6,0.341,0.64,1.0,0.1771040367349736,0.317515934480159,0.708193406894661,0.755337194160784,0.4895376430676444
EOS-2-32041,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)nc5)n34)cc2)o1,RPGJRTGAZOLMLA-UHFFFAOYSA-N,2,1,0.628,12,323,475.512,4.833,6,0.323,0.78,1.0,0.7364813926392982,0.52529812898362,0.4118292097868549,0.364813926392982,0.5096056644506889
EOS-2-32042,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cn5)n34)cc2)cn1,TVXXUIQKJKQSFV-UHFFFAOYSA-N,2,1,0.565,17,960,475.512,4.958,6,0.322,0.77,1.0,0.41057843876362143,0.28145774792680417,0.6681944349256391,0.5694177917894593,0.48241210335138107
EOS-2-32043,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)nc5)n34)cc2)cn1,OGIZLFPVWIHTQR-UHFFFAOYSA-N,2,1,0.535,77,960,475.512,4.958,6,0.322,0.74,1.0,0.4907991227468988,0.2507710232335001,0.6820814200534576,0.5628812281543417,0.49663319854704957
EOS-2-32044,COc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc6ccccc6c5)n34)cn2)ncn1,FKECCHMIFXNNFH-UHFFFAOYSA-N,2,1,0.543,28,891,475.512,4.427,6,0.334,0.72,1.0,0.7889880748406553,0.5870742238366116,0.5422863408950723,0.46586080460557877,0.5960523610444795
EOS-2-32045,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cn4)n23)c1,YRQNPZLZKZKOTG-UHFFFAOYSA-N,2,1,0.511,17,960,475.512,4.958,6,0.322,0.74,1.0,0.377501542046467,0.17862038242752382,0.6336183263655678,0.5465526694537729,0.43407323007333287
EOS-2-32046,Cn1nc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cn4)n23)cc1-c1ccccc1,ASMZJZJHDJLISZ-UHFFFAOYSA-N,2,1,0.463,17,960,475.512,4.958,6,0.322,0.73,1.0,0.17711260365979029,0.10902268521691454,0.47007573161537936,0.4437581385785758,0.299992289767665
EOS-2-32047,COc1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)ccc1-c1ccnnc1,WQBNWOCXEIMDJM-UHFFFAOYSA-N,2,1,0.478,77,603,475.512,4.627,6,0.332,0.63,1.0,0.44729627852785964,0.2868720444109383,0.7700294702213694,0.6504951682544033,0.5386732403536427
EOS-2-32048,Cc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)nc2)cn1,VCYGLYBODZYFJR-UHFFFAOYSA-N,2,1,0.577,41,592,475.512,5.099,6,0.328,0.71,1.0,0.4759954766636968,0.39920156260708656,0.6102391885408813,0.45644575423206085,0.48547049551093135
EOS-2-32049,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,PASYFGRXUQSZLP-UHFFFAOYSA-N,2,1,0.447,41,363,475.512,5.099,6,0.328,0.73,1.0,0.26779350284421904,0.17862894935234047,0.4118377767116716,0.3516893975738469,0.3024874066205195
EOS-2-32050,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)nc2)n1,NKIBCONPDHDGKE-UHFFFAOYSA-N,2,1,0.461,17,410,475.512,4.958,6,0.322,0.84,1.0,0.3954835172366527,0.16979644986635598,0.6191659241998492,0.5300099376327874,0.4286139572339113
EOS-2-32051,COc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(-c6ccccc6)c5)nc4)n23)cc1,AQHJZUFSAYYXNP-UHFFFAOYSA-N,2,1,0.54,77,177,475.512,4.627,6,0.332,0.74,1.0,0.4037677335343705,0.2252244534301967,0.6516859708039202,0.5230107600575697,0.4509222294565143
EOS-2-32052,CCn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3cccnc3-c3ccccc3)n12,QNQJTVVUSYQDGP-UHFFFAOYSA-N,2,1,0.419,28,797,475.516,4.106,6,0.339,0.59,0.928,0.16898259200877253,0.16206051675690494,0.0407442944280721,0.06258138578575835,0.10859219724487697
EOS-2-32053,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)c1,DARFYBJAZORKKW-UHFFFAOYSA-N,2,1,0.423,80,868,475.516,4.106,6,0.339,0.72,1.0,0.34990747721198,0.19114522650949214,0.515266260023302,0.43126756219587414,0.3718966314851621
EOS-2-32054,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)c1,AOLKJUUQHVTITQ-UHFFFAOYSA-N,2,1,0.495,28,414,475.516,4.106,6,0.339,0.63,0.999,0.37511993694743334,0.1544359536700706,0.3379223493934617,0.25632239051470085,0.2809501576314166
EOS-2-32055,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnn(C)c6)n5)n34)cn2)cn1,JMYOORYKSFSYIJ-UHFFFAOYSA-N,2,1,0.447,28,667,475.516,3.931,6,0.356,0.7,1.0,0.3405266945377287,0.23517065314234803,0.3942927146871359,0.2769515454732369,0.3117354019601124
EOS-2-32056,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnn(C)c6)cn5)n34)cc2)n1,SXKIWHYOIBILRE-UHFFFAOYSA-N,2,1,0.453,40,25,475.516,3.931,6,0.356,0.63,1.0,0.3405352614625454,0.23517922006716468,0.3832585155232678,0.27994996915907067,0.30973074155301217
EOS-2-32057,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)cc1,YWAPQOBIMGXNGX-UHFFFAOYSA-N,2,1,0.447,67,755,475.516,4.106,6,0.339,0.59,1.0,0.43811253512439174,0.22523302035501336,0.2395654855732986,0.22665512987458022,0.282391542731821
EOS-2-32058,c1ccc(Cn2cc(CCOc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nn2)cc1,JEPSDKUEMXWCCH-UHFFFAOYSA-N,2,1,0.495,28,56,475.516,3.51,6,0.329,0.74,1.0,0.1554468507984374,0.14281920361866904,0.14863614556918647,0.17276060585292302,0.154915701459804
EOS-2-32059,Cc1nn(C)cc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,REVGYMZSLGQEGO-UHFFFAOYSA-N,2,1,0.5,40,120,475.516,3.931,6,0.356,0.75,1.0,0.3519549722431636,0.20504077856212735,0.2939825920087725,0.22973922280858064,0.27017939140566105
EOS-2-32060,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccn(C)n6)cn5)n34)cc2)nn1,IHRDDGCNVVHHGH-UHFFFAOYSA-N,2,1,0.506,81,117,475.516,3.931,6,0.356,0.68,1.0,0.2784507573161538,0.25077959015831675,0.38698512781851824,0.2799585360838873,0.29904350284421904
EOS-2-32061,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cc1,PSKRFYKYBAMFHV-UHFFFAOYSA-N,2,1,0.494,67,755,475.516,4.106,6,0.339,0.66,1.0,0.46359056952916183,0.2814663148516209,0.41184634363648825,0.3710677815091495,0.3819927523816051
EOS-2-32062,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)cn4)n23)cc1,LOEYBRYMGCJHAN-UHFFFAOYSA-N,2,1,0.462,40,355,475.516,3.931,6,0.356,0.63,1.0,0.3519635391679803,0.25078815708313346,0.37580529093276677,0.27696011239805357,0.3138792748954835
EOS-2-32063,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)c1,FSGLGMXWCCHOCB-UHFFFAOYSA-N,2,1,0.402,6,247,475.516,4.106,6,0.339,0.68,1.0,0.33094030566787747,0.1620690836817216,0.4487269549722432,0.37446028373654994,0.329049157014598
EOS-2-32064,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cn5)n34)cc2)cn1,APPXZBFAHJQCDC-UHFFFAOYSA-N,2,1,0.506,40,868,475.516,4.106,6,0.339,0.64,1.0,0.2923548762936056,0.2557484065519841,0.4664947570420122,0.3680265231992324,0.3456561407717086
EOS-2-32065,COc1cc(-c2cnn(C)c2)ccc1-c1cncc2nnc(-c3ccc(-c4cnc(=N)[nH]c4)cc3)n12,UDZOZHWUQDGMHR-UHFFFAOYSA-N,2,1,0.318,9,38,475.516,3.737,6,0.392,0.66,1.0,0.1469056267562196,0.0927455280652457,0.6336268932903845,0.4721660612706463,0.336361027345624
EOS-2-32066,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cc5)n34)cn2)c1,YHWPSYUZKQWMAF-UHFFFAOYSA-N,2,1,0.43,6,868,475.516,4.106,6,0.339,0.75,1.0,0.4833373312315811,0.34140908779384554,0.470084298540196,0.37107634843396614,0.4164767664998972
EOS-2-32067,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncnc4-c4ccccc4)n23)cc1,MBVBLJYEPMUDML-UHFFFAOYSA-N,2,1,0.473,67,755,475.516,4.106,6,0.339,0.54,1.0,0.602768830100747,0.307227057775341,0.2609827976149681,0.24994859845109998,0.35523182098553907
EOS-2-32068,CCn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cnn1,KHZYOJNIPDBAST-UHFFFAOYSA-N,2,1,0.443,40,2,475.516,4.106,6,0.339,0.63,1.0,0.4635991364539785,0.21991296004386265,0.26437529984236857,0.23551333013501474,0.2958501816188061
EOS-2-32069,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)nc4)n23)nc1,BNDVPGDJRGSHNK-UHFFFAOYSA-N,2,1,0.432,28,363,475.516,4.106,6,0.339,0.7,1.0,0.35197210609279694,0.1391868274964019,0.23957405249811528,0.2297477897333973,0.24012019395517784
EOS-2-32070,Cc1nc(C)n(C)c1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1,MOZUWOVLHVKMDF-UHFFFAOYSA-N,2,1,0.392,28,318,475.516,4.453,6,0.36,0.62,1.0,0.397590980741553,0.1958142005345761,0.20064594613117676,0.13687375779590158,0.23273122130080187
EOS-2-32071,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-c4cncnc4)n23)cn1,OLTCHCHWZDYMCS-UHFFFAOYSA-N,2,1,0.426,6,868,475.516,3.931,6,0.356,0.69,0.999,0.38205914604893426,0.20052600918374341,0.4118549105613049,0.33248235213487765,0.3317306044822151
EOS-2-32072,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)nn5C)n34)cc2)n1,ZWGRGFGWKUOMQI-UHFFFAOYSA-N,2,1,0.467,40,25,475.516,3.931,6,0.356,0.73,0.999,0.3566068124186142,0.3269566856281269,0.16128949352340483,0.1438986361455692,0.24718790692892878
EOS-2-32073,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)cc1,ARINOBYHJPVRQT-UHFFFAOYSA-N,2,1,0.478,77,755,475.516,4.106,6,0.339,0.71,1.0,0.5183075183332191,0.3021040367349736,0.34932492632444656,0.31678774587074227,0.3716310568158454
EOS-2-32074,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)c1,PYJBQRBOCMFGMH-UHFFFAOYSA-N,2,1,0.47,40,414,475.516,4.106,6,0.339,0.61,1.0,0.3231358371598931,0.15815399904050442,0.3306404632992941,0.2531012267836337,0.2662578815708313
EOS-2-32075,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnc5)cn4)n23)cc1,JNSONTBOZTXNHO-UHFFFAOYSA-N,2,1,0.61,40,25,475.516,3.665,6,0.344,0.7,1.0,0.6759732026591735,0.4314131999177575,0.3232557741073264,0.2888595709684052,0.4298754369131656
EOS-2-32076,CCn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,JWRCUOWUAQGNPX-UHFFFAOYSA-N,2,1,0.41,81,363,475.516,4.106,6,0.339,0.62,1.0,0.3358234528133781,0.205049345486944,0.17407991227468989,0.18113905832362415,0.22402294222465902
EOS-2-32077,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cccnc4-c4ccncc4)n23)c1,BCNRFFPIVGKRLG-UHFFFAOYSA-N,2,1,0.386,80,355,475.516,4.106,6,0.339,0.68,1.0,0.2977948735521897,0.13919539442121856,0.3980707285312864,0.3197005003084093,0.288690374203276
EOS-2-32078,Cc1c(-c2nnc3cncc(-c4ccc(-c5ccc(=O)n(C)n5)nc4)n23)c(-c2ccccc2)nn1C,FPFYPAVIXKPKQV-UHFFFAOYSA-N,2,1,0.283,30,945,475.516,3.323,6,0.385,0.56,0.7,0.053628949352340485,0.05740696319649099,0.09762867521074635,0.11253512439174834,0.08029992803783154
EOS-2-32079,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccn5)nc4)n23)nc1,WDPOHLDVUWFDFF-UHFFFAOYSA-N,2,1,0.5,6,297,475.516,3.665,6,0.344,0.65,1.0,0.5391594133369886,0.23518778699198137,0.3122901103419916,0.25310979370845044,0.33493677609485295
EOS-2-32080,Cc1nn(C)cc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nn1,GYUVIYPFJTWIGB-UHFFFAOYSA-N,2,1,0.455,77,285,475.516,3.931,6,0.356,0.75,1.0,0.41269446919333835,0.28688061133575493,0.22151497498457953,0.23255774107326435,0.2884119491467343
EOS-2-32081,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)n23)cc1,YWIYZQXGIKYHFU-UHFFFAOYSA-N,2,1,0.489,40,609,475.516,4.106,6,0.339,0.66,1.0,0.3888869851278185,0.21491844287574532,0.2717428551847029,0.23856315536974848,0.2785278596395038
EOS-2-32082,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2)n1C,VGYMREYMLBEJLH-UHFFFAOYSA-N,2,1,0.433,81,363,475.516,3.931,6,0.356,0.71,1.0,0.23577890480433145,0.13920396134603522,0.1803252004660407,0.18374340346789117,0.18476286752107465
EOS-2-32083,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)nc2)c(-c2ccccc2)n1,AEQSSAQCJOTMAU-UHFFFAOYSA-N,2,1,0.427,81,177,475.516,3.665,6,0.344,0.59,1.0,0.3566153793434309,0.16207765060653828,0.21777979576451237,0.2153296552669454,0.23795062024535674
EOS-2-32084,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nn5)n34)cc2)cn1,INPXEZFMHATLQU-UHFFFAOYSA-N,2,1,0.457,40,25,475.516,4.106,6,0.339,0.7,1.0,0.2626447810294017,0.25575697347680076,0.34933349324926327,0.28587828113220476,0.28840338222191764
EOS-2-32085,COc1ccc(-c2nncn2C)cc1-c1cncc2nnc(-c3ccc(-c4cnc(C)cn4)cc3)n12,VFZOHQCFPZCHPO-UHFFFAOYSA-N,2,1,0.361,9,642,475.516,4.028,6,0.368,0.72,1.0,0.15010108971283667,0.022548146117469674,0.39055753546706873,0.28298266054417104,0.21154735796038654
EOS-2-32086,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)cn2)cn1,OJCKYBOHIAPBQI-UHFFFAOYSA-N,2,1,0.457,6,667,475.516,4.106,6,0.339,0.7,1.0,0.25698204372558425,0.2199215269686793,0.3084349941744911,0.24132170516071552,0.25666506750736756
EOS-2-32087,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c2)n1C,HJRKGRGWGJUOTN-UHFFFAOYSA-N,2,1,0.524,77,755,475.516,3.931,6,0.356,0.71,1.0,0.47863408950723046,0.22524158727983004,0.23574463710506477,0.1973305462271263,0.2842377150298129
EOS-2-32088,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ncc(C)nn4)cc3)n12,HFEPXIGFJHYLAZ-UHFFFAOYSA-N,2,1,0.367,9,42,475.516,4.028,6,0.368,0.61,1.0,0.17435405386882324,0.024861215817969982,0.33456411486532794,0.2355218970598314,0.19232532040298814
EOS-2-32089,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)cc1,LKFCOSDVOPBGBZ-UHFFFAOYSA-N,2,1,0.517,40,755,475.516,4.106,6,0.339,0.69,1.0,0.48084435610993076,0.20053457610856007,0.3345726817901446,0.28299122746898775,0.32473571036940585
EOS-2-32090,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)n1C,NVXJZCOFXUQHTI-UHFFFAOYSA-N,2,1,0.473,81,363,475.516,3.931,6,0.356,0.73,1.0,0.32314440408470974,0.19115379343430883,0.1835720649715578,0.1782263038859571,0.21902414159413336
EOS-2-32091,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccn(C)n6)cn5)n34)cc2)n1,VAZPOJSCGLSTFN-UHFFFAOYSA-N,2,1,0.495,40,25,475.516,3.931,6,0.356,0.66,1.0,0.345289904735796,0.24573367144129943,0.39430128161195255,0.2829997943938044,0.3170811630457131
EOS-2-32092,Cc1c(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cnn1C,HQNUSIJIENXLGC-UHFFFAOYSA-N,2,1,0.433,40,59,475.516,3.931,6,0.356,0.76,1.0,0.3333047769172778,0.28147488177643754,0.23575320402988142,0.18375197039270783,0.25857120827907615
EOS-2-32093,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n(C)n2)nn1,HXONYYWSUARIMO-UHFFFAOYSA-N,2,1,0.464,12,285,475.516,3.931,6,0.356,0.67,0.999,0.3866852854499349,0.3609159756013981,0.19015146323075868,0.20917003632376122,0.28673069015146324
EOS-2-32094,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)n1C,OGAVPKBLHGDRSK-UHFFFAOYSA-N,2,1,0.436,81,363,475.516,3.931,6,0.356,0.68,1.0,0.3184497292851758,0.20995819340689467,0.12746727434720032,0.13259029538756767,0.1971163731067096
EOS-2-32095,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)ccn1,GUOWNIORGAAWOG-UHFFFAOYSA-N,2,1,0.43,6,942,475.516,4.106,6,0.339,0.65,1.0,0.33583201973819476,0.15816256596532108,0.3980792954561031,0.3290898499074772,0.30529093276677405
EOS-2-32096,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cn5)n34)cc2)n(C)n1,YJRDXQQXQIQYJQ-UHFFFAOYSA-N,2,1,0.57,40,25,475.516,3.931,6,0.356,0.71,1.0,0.34282263038859573,0.23028750599684736,0.22865122335686383,0.1837605373175245,0.24638047426495785
EOS-2-32097,Cc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,MESKVYXSTDCDIW-UHFFFAOYSA-N,2,1,0.74,79,650,424.479,5.527,5,0.36,0.83,1.0,0.9906706188746488,0.9805273798917141,0.9082482352134877,0.8986275786443698,0.9445184531560551
EOS-2-32098,Cn1cc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)cc1-c1ccc(F)cc1,XIIPEBLMSXVMIS-UHFFFAOYSA-N,2,1,0.523,12,47,475.527,6.182,6,0.289,0.76,1.0,0.7778339387293537,0.7258926735658968,0.9158299636762388,0.9147590980741553,0.8335789185114111
EOS-2-32099,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nsc(=O)[nH]5)nc4)n23)n1,SXWWOCRGSPOLRB-UHFFFAOYSA-N,2,1,0.44,7,464,424.471,2.342,5,0.456,0.54,1.0,0.32833596052361047,0.3364402714001782,0.022693783839353027,0.016551298745802207,0.17600532862723597
EOS-2-32100,NCc1cncnc1CCOc1cncc2nnc(-c3cccc(-c4ccccn4)c3)n12,FVTJLMTYQMBTSB-UHFFFAOYSA-N,2,1,0.467,15,201,424.468,2.724,5,0.424,0.71,1.0,0.3996984442464533,0.1215132615996162,0.18358063189637447,0.19733911315194297,0.2255328627235967
EOS-2-32101,Cc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cnc(C)cn5)ccn4)n23)c1,IRXHCLRJSYJHLV-UHFFFAOYSA-N,2,1,0.436,18,720,424.468,3.277,5,0.409,0.63,1.0,0.42904016174354054,0.2252501542046467,0.20767939140566102,0.14163696799396888,0.2509016688369543
EOS-2-32102,Cc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)c(C)n1,FXCRPYMLHQFGHG-UHFFFAOYSA-N,2,1,0.53,75,454,424.468,3.277,5,0.409,0.69,1.0,0.5183160852580357,0.3512953190322802,0.2758721129463368,0.18376910424234116,0.3323131553697485
EOS-2-32103,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)nc(C)n1,LXRRJGXJTBWUOG-UHFFFAOYSA-N,2,1,0.597,75,583,424.468,3.277,5,0.409,0.74,1.0,0.6111644164210814,0.3315142896305942,0.22152354190939622,0.14887601946405318,0.3282695668562813
EOS-2-32104,Cc1cc(CCOc2cncc3nnc(-c4cccc(-c5c[nH]c(=N)cn5)c4)n23)ccn1,UMOUQDLCVRJILO-UHFFFAOYSA-N,2,1,0.54,15,438,424.468,2.986,5,0.433,0.71,1.0,0.7664056610239188,0.4268727297649236,0.40144609690905353,0.28886813789322185,0.4708981563977795
EOS-2-32105,CCc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cnccn1,AFYQTGSAEJMCRD-UHFFFAOYSA-N,2,1,0.476,18,324,424.468,3.222,5,0.392,0.73,1.0,0.46360770337879514,0.3175245014049757,0.1612980604482215,0.13259886231238435,0.26875728188609416
EOS-2-32106,NCc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccn2)cc1,RSSFUMODQGSBGG-UHFFFAOYSA-N,2,1,0.524,75,183,424.468,2.724,5,0.424,0.8,1.0,0.4884003837982318,0.1392125282708519,0.2681790144609691,0.22666369679939688,0.2806139058323624
EOS-2-32107,CN(C)Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnc5)nn4)n23)cc1,CAWSTSGTXPFLJJ-UHFFFAOYSA-N,2,1,0.381,72,310,424.468,3.497,5,0.409,0.77,1.0,0.47600404358851345,0.30723562470015764,0.3905661023918854,0.2531183606332671,0.35673103282845586
EOS-2-32108,Cc1cccc(-c2ccnc(-c3nnc4cncc(OCc5nc(C)ncc5C)n34)c2)n1,BKZNEQVXOVODPM-UHFFFAOYSA-N,2,1,0.396,7,567,424.468,3.543,5,0.422,0.66,1.0,0.2493660475635666,0.1090312521417312,0.14864471249400316,0.09135768624494552,0.1495999246110616
EOS-2-32109,COc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccccc1,HJVXHACFOOYZCH-UHFFFAOYSA-N,2,1,0.523,11,198,424.464,3.878,5,0.392,0.76,0.998,0.5183246521828524,0.30211260365979026,0.3084435610993078,0.25312692755808375,0.34550193612500857
EOS-2-32110,COc1cc(-c2nnc3cncc(OCc4cccc(C)n4)n23)ccc1-c1ccncc1,PBRKMRJPMKCWGK-UHFFFAOYSA-N,2,1,0.54,1,61,424.464,4.144,5,0.405,0.78,1.0,0.3727640326228497,0.20996676033171133,0.6042166403947639,0.4374271811390583,0.4060936536220958
EOS-2-32111,COc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C)cc5)n34)c2)nn1,CAXQPBDKWCTEGG-UHFFFAOYSA-N,2,1,0.53,1,230,424.464,4.144,5,0.405,0.81,1.0,0.8003221163731067,0.5159259132341855,0.5977571790829964,0.4564543211568775,0.5926148824617915
EOS-2-32112,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)cn1,RMAWYKBPCKIYID-UHFFFAOYSA-N,2,1,0.65,1,922,424.464,3.878,5,0.392,0.78,1.0,0.8003306832979233,0.6539305051058872,0.5044033993557673,0.38085120964978414,0.5848789493523405
EOS-2-32113,COc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(C)nc5)nc4)n23)c1,OTVKWRONAXYSDN-UHFFFAOYSA-N,2,1,0.5,1,230,424.464,4.144,5,0.405,0.86,1.0,0.6055702145157974,0.4839284490439312,0.6489959564114866,0.47511308340758,0.5534019258446987
EOS-2-32114,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cccnc1,HWNZFAKVKFSAEA-UHFFFAOYSA-N,2,1,0.588,35,103,424.464,3.878,5,0.392,0.7,1.0,0.6363940100061681,0.4314217668425742,0.6010811459118635,0.48114419847851414,0.53751028030978
EOS-2-32115,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cn1,JXUJKRLEWQKTIC-UHFFFAOYSA-N,2,1,0.75,91,309,424.464,3.878,5,0.392,0.84,1.0,0.9221780549653896,0.7122626961825783,0.4939346172297992,0.3837725310122678,0.6280369748475088
EOS-2-32116,OCc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnc5)nc4)n23)cc1,RMYVPPKXEZAOPC-UHFFFAOYSA-N,2,1,0.57,11,201,424.464,3.362,5,0.428,0.76,1.0,0.8109879377698581,0.6584795421835378,0.6305256665067507,0.5465612363785896,0.6616385957096841
EOS-2-32117,COc1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(C)cc5)n34)c2)cn1,SCUTWLITSLKRFG-UHFFFAOYSA-N,2,1,0.543,1,230,424.464,4.144,5,0.405,0.74,1.0,0.7543605647316839,0.4709152902474128,0.6042252073195805,0.4501833321910767,0.5699210986224386
EOS-2-32118,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1ccccc1,GIFFSDUXOZRVFS-UHFFFAOYSA-N,2,1,0.588,91,955,424.464,3.878,5,0.392,0.72,1.0,0.6759817695839901,0.40398190665478717,0.5657168802686587,0.4811527654033308,0.5317083304776917
EOS-2-32119,COc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccccn1,YLJJQFKFTZRHGY-UHFFFAOYSA-N,2,1,0.617,11,393,424.464,3.878,5,0.392,0.77,1.0,0.5443252690014393,0.34656637653347955,0.5621444726201082,0.43454012747584125,0.47189406140771706
EOS-2-32120,CCOc1cc(-c2nnc3cncc(OCc4cncnc4)n23)ccc1-c1ccccc1,DWRKIBLTLOPMAZ-UHFFFAOYSA-N,2,1,0.494,1,955,424.464,4.226,5,0.386,0.72,1.0,0.5911606469741622,0.3656877527242821,0.6191744911246659,0.5165855664450689,0.5231521143170448
EOS-2-32121,COCc1cccc(-c2cccc(-c3nnc4cncc(COc5cccnc5)n34)c2)n1,FXJZITPENQUHQT-UHFFFAOYSA-N,2,1,0.369,14,18,424.464,3.974,5,0.391,0.77,1.0,0.34991604413679667,0.16980501679117263,0.5456360084983894,0.4472191762045096,0.3781440614077171
EOS-2-32122,OCc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)cn1,FSHWOBKAWHCIQQ-UHFFFAOYSA-N,2,1,0.623,11,56,424.464,3.362,5,0.428,0.79,1.0,0.5626927558083751,0.5576982386402577,0.5353985333424713,0.46909053526146255,0.5312200157631417
EOS-2-32123,Oc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)cc4)n23)cc1,DCXYEWCSGURVCB-UHFFFAOYSA-N,2,1,0.69,79,590,424.46,4.911,5,0.4,0.77,1.0,0.904864299910904,0.770603454184086,0.7861952573504215,0.7238109108354465,0.7963684805702145
EOS-2-32124,Cn1nc(-c2nnc3ccccn23)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)s3)n12,VKDOSWDMQGAWPW-UHFFFAOYSA-N,2,1,0.28,30,541,475.541,4.63,7,0.369,0.62,1.0,0.023670413268453157,0.026960112398053595,0.1643393187581386,0.2769686793228703,0.1229846309368789
EOS-2-32125,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)nc2)n[nH]1,JRBUXFUKGPFCQC-UHFFFAOYSA-N,2,1,0.286,38,154,424.453,3.157,6,0.458,0.63,1.0,0.08015214858474402,0.1251884723459667,0.21778836268932905,0.24433726269618258,0.16686656157905558
EOS-2-32126,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)nc2)n1,BREYXHZYDZZCEI-UHFFFAOYSA-N,2,1,0.278,70,687,424.453,3.157,6,0.458,0.63,1.0,0.07380405729559317,0.15034953053252004,0.127475841272017,0.1392639298197519,0.12272333972997052
EOS-2-32127,c1cc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)nc4)n23)ccc1-c1csnn1,UMLGKVHZRZDFGR-UHFFFAOYSA-N,2,1,0.282,98,727,424.453,3.157,6,0.458,0.59,1.0,0.06587108491535879,0.11207251045164827,0.2717514221095196,0.3009732026591735,0.18766705503392503
EOS-2-32128,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cn2)n[nH]1,AHTJVQXIFGPBDI-UHFFFAOYSA-N,2,1,0.271,9,727,424.453,3.157,6,0.458,0.62,1.0,0.07189363306147625,0.11208107737646494,0.21128606675347816,0.24434582962099924,0.15990165170310466
EOS-2-32129,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)cc2)on1,UUMGPGBDBLXPCW-UHFFFAOYSA-N,2,1,0.315,38,818,424.449,4.027,6,0.417,0.69,1.0,0.06418340072647523,0.10225481461174697,0.39808786238091975,0.41534164896168874,0.24496693167020767
EOS-2-32130,c1coc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)s5)n34)nc2)c1,KZXRPMZMDWOTMT-UHFFFAOYSA-N,2,1,0.287,94,165,424.449,4.027,6,0.417,0.7,0.727,0.027045781646220273,0.08969570283051195,0.25387225001713387,0.28300836131862106,0.1634055239531218
EOS-2-32131,c1cnc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cs2)cn1,RIKOMBHSSYFIKO-UHFFFAOYSA-N,2,1,0.343,38,983,424.449,4.027,6,0.417,0.69,1.0,0.1387327804811185,0.19116236035912548,0.27175998903433624,0.2916952230827222,0.22333758823932562
EOS-2-32132,c1ccc(-c2ncccc2-c2nnc3cncc(-c4cc(-c5csnn5)no4)n23)cc1,ZJGNWSUGOHFVTD-UHFFFAOYSA-N,2,1,0.303,30,371,424.449,4.027,6,0.417,0.64,0.914,0.04446233979850593,0.09275409499006236,0.19356966623260916,0.2830169282434377,0.1534507573161538
EOS-2-32133,c1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)o1,NMJIISNBMVAWFR-UHFFFAOYSA-N,2,1,0.379,9,894,424.449,4.027,6,0.417,0.75,1.0,0.07581728462751011,0.1464772805153862,0.41186347748612157,0.43127612912069085,0.26635854293742717
EOS-2-32134,c1cc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)cc(-c2nncs2)n1,QTPGKXARFZHUBD-UHFFFAOYSA-N,2,1,0.333,70,957,424.449,4.027,6,0.417,0.71,1.0,0.09175176478651223,0.12519703927078335,0.29773490507847306,0.33578918511411143,0.21261822356247
EOS-2-32135,c1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)o2)cn1,XFGZVBRHXZFKDZ-UHFFFAOYSA-N,2,1,0.333,42,983,424.449,4.027,6,0.417,0.57,1.0,0.18310088410664108,0.23029607292166404,0.3012302104036735,0.3136865190871085,0.2570784216297718
EOS-2-32136,c1nc(-c2ccc(-c3nnc4cncc(-c5cnncc5-c5ccsc5)n34)cc2)no1,FGPARQNQLPCWLN-UHFFFAOYSA-N,2,1,0.358,42,762,424.449,4.027,6,0.417,0.59,1.0,0.16086114728257145,0.11812075937221575,0.41932526900143924,0.44058837639640874,0.2847238880131588
EOS-2-32137,c1cncc(-c2nnc3cncc(-c4ccc(-c5ccc(-c6nncs6)nc5)o4)n23)c1,JVSBQHLRKGGUHJ-UHFFFAOYSA-N,2,1,0.312,76,368,424.449,4.027,6,0.417,0.65,1.0,0.07190219998629292,0.15035809745733672,0.2832396682886711,0.3074155301213077,0.2032288739634021
EOS-2-32138,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnoc6)cn5)n34)s2)cn1,HRPPHHJMCKSGNT-UHFFFAOYSA-N,2,1,0.278,86,790,424.449,4.027,6,0.417,0.67,1.0,0.07191076691110959,0.10226338153656364,0.3197005003084093,0.3388475772736618,0.2081805565074361
EOS-2-32139,c1cc(-c2nnon2)cc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c1,CCMYAMOKUMMEFV-UHFFFAOYSA-N,2,1,0.338,9,98,424.449,4.027,6,0.417,0.72,1.0,0.09876807621136317,0.11506236721266534,0.33064903022411074,0.36803509012404906,0.22812864094304708
EOS-2-32140,c1ccc(-c2nnccc2-c2nnc3cncc(-c4nnc(-c5ccsc5)o4)n23)cc1,QRNMDSLNSTVRDZ-UHFFFAOYSA-N,2,1,0.311,30,541,424.449,4.027,6,0.417,0.58,0.999,0.11437701322733192,0.12152182852443287,0.14555205263518609,0.22352820231649648,0.15124477417586185
EOS-2-32141,CN(C)Cc1cc(F)c(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)cn1,MZZROWJXRPWAQF-UHFFFAOYSA-N,2,1,0.505,75,496,475.553,4.132,5,0.334,0.7,1.0,0.37977177712288396,0.3609245425262148,0.4560088410664108,0.33885614419847854,0.383890326228497
EOS-2-32142,Fc1cc(-c2nnc3cncc(OCCc4sccc4F)n23)ccc1-c1cc[nH]n1,RCLBQHGVRPZSQK-UHFFFAOYSA-N,2,1,0.5,37,563,424.436,4.143,5,0.443,0.61,1.0,0.9080169282434377,0.8828387362072511,0.7188763621410459,0.7373980535946817,0.8117825200466041
EOS-2-32143,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)s5)n34)cc2F)cn1,DQSXIOXCOZNKCV-UHFFFAOYSA-N,2,1,0.549,4,554,424.436,4.111,5,0.425,0.66,1.0,0.5969004866013295,0.6342094441779179,0.8131896374477418,0.7730193269823864,0.7043297238023438
EOS-2-32144,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cocc5F)n34)c(F)c2)cs1,DJZWNOLSJFXUNZ-UHFFFAOYSA-N,2,1,0.494,16,772,424.432,5.278,5,0.384,0.78,1.0,0.8411606469741622,0.7834110067850044,0.9195737098211226,0.8944297854842026,0.859643787266123
EOS-2-32145,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C#N)cn5)n34)cc2)n1,PWLVNBVRVGRUDL-UHFFFAOYSA-N,2,1,0.59,15,447,424.428,1.87,5,0.4,0.71,1.0,0.7183880474264958,0.5527722568706737,0.17052463847577273,0.1539562058803372,0.39891028716331983
EOS-2-32146,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C#N)nc4)n23)cc1,ZHXVHODFDLFZAK-UHFFFAOYSA-N,2,1,0.595,15,447,424.428,1.87,5,0.4,0.73,1.0,0.7062058803371941,0.5964635734356796,0.18358919882119115,0.17001918991158935,0.41406946062641353
EOS-2-32147,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)o2)n1C,DIOCIXQVZXGJDY-UHFFFAOYSA-N,2,1,0.299,98,882,424.428,2.94,6,0.457,0.59,1.0,0.08663731067096155,0.09276266191487903,0.07233911315194298,0.07510622986772668,0.08171132890137756
EOS-2-32148,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cnc(C#N)nc4)n23)c1,FIHKQFAINBCZJF-UHFFFAOYSA-N,2,1,0.364,7,211,424.428,2.31,5,0.402,0.65,1.0,0.32315297100952645,0.13184497292851757,0.1935782331574258,0.12823829758070043,0.19420361866904257
EOS-2-32149,Cn1nc(-c2cc[nH]n2)cc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,XXLKVIFNNVUSLU-UHFFFAOYSA-N,2,1,0.371,67,763,424.428,3.097,6,0.435,0.57,1.0,0.44478616955657596,0.38464635734356795,0.25022274004523337,0.212399766979645,0.3230137584812555
EOS-2-32150,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cn5)n34)o2)n1C,RHUUHDBHMADYAS-UHFFFAOYSA-N,2,1,0.245,76,794,424.428,2.94,6,0.457,0.61,0.339,0.04005894044273867,0.06537420327599205,0.062033102597491604,0.06414913302720855,0.05790384483585771
EOS-2-32151,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cnc(C#N)cn4)n23)c1,IHHUBOKEMZHAIJ-UHFFFAOYSA-N,2,1,0.367,7,211,424.428,2.31,5,0.402,0.66,0.999,0.2520817627304503,0.13185353985333426,0.2006545130559934,0.14164553491878557,0.18155883763964087
EOS-2-32152,COc1cc(-c2nnc3cncc(Oc4ccc(C#N)cc4)n23)ccc1-c1cnnn1C,FYOOUBCRLOEOIC-UHFFFAOYSA-N,2,1,0.506,89,638,424.424,3.259,5,0.422,0.73,1.0,0.42421698307175654,0.36569631964909877,0.6042337742443973,0.4871667466246316,0.4703284558974711
EOS-2-32153,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(C#N)cc3OC)n12,BFQUJRMUHKJUTD-UHFFFAOYSA-N,2,1,0.337,61,697,424.424,3.132,5,0.456,0.72,0.999,0.3106795284764581,0.14648584744020288,0.6336354602152011,0.4658693715303954,0.3891675519155644
EOS-2-32154,N#Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)nc2)cn1,VKAIWGPVJNHMCU-UHFFFAOYSA-N,2,1,0.484,89,731,424.424,2.315,5,0.44,0.62,1.0,0.5496281954629566,0.3802515249126174,0.6430505105887191,0.5133644027140017,0.5215736584195737
EOS-2-32155,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)o2)n1C,ZUUDJKWTGTYNPC-UHFFFAOYSA-N,2,1,0.311,38,193,424.424,3.81,6,0.42,0.68,0.949,0.11712699609348229,0.07628846549242684,0.16434788568295525,0.1727691727777397,0.13263313001165103
EOS-2-32156,Cc1nc(-c2ccccc2)sc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,BTYXHWFWGGJNOD-UHFFFAOYSA-N,2,1,0.531,21,47,475.577,6.469,6,0.276,0.71,1.0,0.6364025769309849,0.5253066959084367,0.5253495305325201,0.5628897950791584,0.562487149612775
EOS-2-32157,Cc1nsc(COc2cncc3nnc(-c4ccc(-c5noc(C)n5)c(F)c4)n23)n1,OANROFGEJKVFFP-UHFFFAOYSA-N,2,1,0.494,7,815,424.421,3.028,5,0.419,0.7,1.0,0.5496367623877733,0.5964721403604962,0.05245528065245699,0.056593105338907546,0.31378932218490846
EOS-2-32158,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)cc4)n23)cc1,YYICWUNWZWSWNE-UHFFFAOYSA-N,2,1,0.603,1,326,424.42,4.341,5,0.295,0.81,1.0,0.7863323281474882,0.312487149612775,0.6739000068535399,0.45019189911589336,0.5557278459324241
EOS-2-32159,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)cc1,ZQKBXLKQGMIRJZ-UHFFFAOYSA-N,2,1,0.585,1,347,424.42,4.341,5,0.295,0.86,1.0,0.8411692138989788,0.3072441916249743,0.607232197930231,0.3808597765746008,0.5341263450071962
EOS-2-32160,c1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cscn6)s5)n34)cc2)cs1,NVWRSYFACUXGRF-UHFFFAOYSA-N,2,1,0.531,28,120,475.584,5.074,6,0.332,0.66,1.0,0.5738982934685766,0.5112826399835515,0.21436159276266192,0.21533822219176205,0.378720187101638
EOS-2-32161,c1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncs6)s5)n34)cc2)cs1,HJYUKJSXULDCKC-UHFFFAOYSA-N,2,1,0.518,40,120,475.584,5.074,6,0.332,0.64,1.0,0.544333835926256,0.4839370159687479,0.2248732095127133,0.22667226372421356,0.3699540812829827
EOS-2-32162,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)s1,FIINWUXPSHPLPP-UHFFFAOYSA-N,2,1,0.427,96,243,424.411,5.054,5,0.404,0.7,0.988,0.28952779110410526,0.5112912069083682,0.9111181550270715,0.8917312041669523,0.6509170893016243
EOS-2-32163,FC(F)(F)c1ccc(-c2nnc3cncc(-c4csc(-c5cccnc5)n4)n23)cc1,AHAGNHAIUCCHQS-UHFFFAOYSA-N,2,1,0.356,96,121,424.411,4.996,5,0.408,0.78,1.0,0.2436604756356658,0.44021143170447535,0.962965184017545,0.9357137961757248,0.6456377218833528
EOS-2-32164,CC1(O)CC(c2nc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ncc2F)C1,VWHUABDZFAVAQN-UHFFFAOYSA-N,2,1,0.542,90,636,424.411,3.067,5,0.526,0.6,1.0,0.9504317730107601,0.9115379343430882,0.5152748269481187,0.585078130354328,0.7405806661640737
EOS-2-32165,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccncc5)s4)n23)cc1,QGEZRWUCGUTOEW-UHFFFAOYSA-N,2,1,0.368,96,121,424.411,4.996,5,0.408,0.81,1.0,0.2465989308477829,0.4314303337673909,0.9693732437804126,0.9432698238640258,0.6476680830649031
EOS-2-32166,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)s2)c1,CLVRKRZREPJAQE-UHFFFAOYSA-N,2,1,0.39,96,574,424.411,5.054,5,0.404,0.7,1.0,0.19152217120142553,0.5485144952367899,0.8767904872866835,0.9057809608662875,0.6306520286477966
EOS-2-32167,Fc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)s2)c1,ILFJAXGEIQDGIY-UHFFFAOYSA-N,2,1,0.383,96,680,424.411,5.054,5,0.404,0.7,0.883,0.18585086697279143,0.4885460215201151,0.8702110890274827,0.8763964087451168,0.6052510965663764
EOS-2-32168,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)nc3)n12,FXOMFPMEDISPGG-UHFFFAOYSA-N,2,1,0.295,96,154,424.403,3.168,6,0.445,0.62,1.0,0.28676924131313825,0.3846549242683846,0.4804160098690974,0.49317216092111577,0.411253084092934
EOS-2-32169,Fc1cc(-n2cccn2)ncc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,YNAKGXWSVRHUFP-UHFFFAOYSA-N,2,1,0.317,42,7,424.403,2.963,6,0.463,0.62,1.0,0.050373517922006714,0.16584709752587212,0.4233260228908231,0.4312846960455075,0.2677078335960524
EOS-2-32170,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cccnc5-n5ccnc5)n34)n2)cc1,GBUYCKLDVJMRCU-UHFFFAOYSA-N,2,1,0.321,10,871,424.403,2.759,6,0.428,0.72,0.372,0.018495990679185798,0.1698135837159893,0.23958261942293194,0.3167963127955589,0.18617212665341648
EOS-2-32171,Fc1cc(-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)ccc1-c1cc[nH]n1,NYRLJVFYDVNXIY-UHFFFAOYSA-N,2,1,0.3,94,151,424.403,2.963,6,0.463,0.72,1.0,0.02471557809608663,0.17863751627715715,0.5621530395449249,0.5661366595846755,0.3329106983757111
EOS-2-32172,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,RYNUPLBRVMDIBS-UHFFFAOYSA-N,2,1,0.318,3,289,424.403,2.963,6,0.463,0.63,1.0,0.04894284147762319,0.1826725378658077,0.33458124871496125,0.40255979713522033,0.24218910629840312
EOS-2-32173,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n1,FHDSZPZLPMYWCD-UHFFFAOYSA-N,2,1,0.299,3,158,424.403,2.963,6,0.463,0.61,1.0,0.06796141457062572,0.3124957165375917,0.2538808169419505,0.3710849153587828,0.25135571585223765
EOS-2-32174,Fc1cccc(-n2nnnc2-c2cncc3nnc(-c4ccc(-c5c[nH]cn5)cc4)n23)c1,CCWMKCPBHMDJJC-UHFFFAOYSA-N,2,1,0.326,3,973,424.403,2.963,6,0.463,0.59,1.0,0.02705434857103694,0.16208621753135494,0.3269909533273936,0.45969261873757794,0.24395603454184087
EOS-2-32175,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3ccc(-c4c[nH]nn4)cc3)n12,TUTAALZAERSDHU-UHFFFAOYSA-N,2,1,0.313,9,7,424.403,3.168,6,0.445,0.67,1.0,0.2784593242409705,0.3414176547186622,0.5490456445754232,0.5755174422589268,0.4361100164484957
EOS-2-32176,Fc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,SXTLNYYNEMQQPA-UHFFFAOYSA-N,2,1,0.322,3,7,424.403,2.963,6,0.463,0.62,1.0,0.035544171064354736,0.20505791241176066,0.3493420601740799,0.41224042217805495,0.25054614145706255
EOS-2-32177,COc1nc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1nc(=O)o[nH]1,OSHSENHAQXHQCS-UHFFFAOYSA-N,2,1,0.385,49,62,424.402,1.574,5,0.426,0.55,0.926,0.3283445274484271,0.15817113289013776,0.02908470975258721,0.012267836337468302,0.1319670516071551
EOS-2-32178,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,WFCIXCKTRLFJDQ-UHFFFAOYSA-N,2,1,0.333,10,298,424.399,3.833,6,0.424,0.77,1.0,0.033102597491604414,0.10903981906654787,0.39430984853676926,0.5095435542457679,0.2614989548351724
EOS-2-32179,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nn2)c1,SOJXKYCWTXHJAP-UHFFFAOYSA-N,2,1,0.326,3,783,424.399,3.833,6,0.424,0.7,1.0,0.05205263518607361,0.14649441436501953,0.5354071002672881,0.5850866972791446,0.3297602117743815
EOS-2-32180,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cn[nH]c4)cc3)n12,BORCKSPLOLABOG-UHFFFAOYSA-N,2,1,0.317,9,340,424.399,4.038,6,0.455,0.65,1.0,0.3452984716606127,0.4133455554794051,0.7421098622438489,0.7451425536289493,0.561474110753204
EOS-2-32181,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)nn1,GWFIAKPNLSVKQK-UHFFFAOYSA-N,2,1,0.313,3,783,424.399,3.833,6,0.424,0.72,1.0,0.05715852237680762,0.22525872112946338,0.5756545130559935,0.6298831471455006,0.37198872592694127
EOS-2-32182,N#Cc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)c1,SUUOREVWHQUITM-UHFFFAOYSA-N,2,1,0.449,55,879,424.399,3.233,5,0.395,0.73,1.0,0.8315399904050442,0.811870331025975,0.7679134397916524,0.7186107874717291,0.7824836371736001
EOS-2-32183,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)cc1,BMWLMCWWWAYMJX-UHFFFAOYSA-N,2,1,0.354,3,783,424.399,3.833,6,0.424,0.76,1.0,0.055230964293057364,0.19117092728394217,0.6130234391062984,0.6587708176273045,0.37954903707765064
EOS-2-32184,Fc1cc(-c2nnc3cncc(-c4nc(-c5ccccc5)no4)n23)ccc1-c1cc[nH]n1,QCPKWMICLGPPLH-UHFFFAOYSA-N,2,1,0.354,30,203,424.399,4.038,6,0.455,0.74,1.0,0.31342951134260844,0.4039904735796039,0.46650332396682886,0.5398790350215886,0.43095058597765745
EOS-2-32185,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)nn4)n23)cc1,FOSZZKIPWOENAS-UHFFFAOYSA-N,2,1,0.5,72,22,424.399,3.233,5,0.395,0.75,1.0,0.8593396614351313,0.857437804125831,0.7108320197381948,0.682484065519841,0.7775233877047494
EOS-2-32186,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)n2)cc1,QRWSUUFIYWCDLU-UHFFFAOYSA-N,2,1,0.35,3,289,424.399,3.833,6,0.424,0.75,1.0,0.07582585155232678,0.19117949420875882,0.5115739154273182,0.5755260091837434,0.3385263175930368
EOS-2-32187,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)nc5)n4)n23)cc1,JHYJVXYSTXCTMZ-UHFFFAOYSA-N,2,1,0.495,89,731,424.399,3.233,5,0.395,0.74,1.0,0.8549276951545474,0.8483996984442465,0.7160235761770954,0.6880011651017751,0.7768380337194162
EOS-2-32188,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(F)c5)n4)n23)cc1,YMWGGOZOWOVGHY-UHFFFAOYSA-N,2,1,0.489,89,731,424.399,3.233,5,0.395,0.73,1.0,0.8806627373038174,0.8513552875059969,0.7188849290658625,0.6909653210883421,0.7854670687410047
EOS-2-32189,Fc1cnn(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccoc6)cc5)n34)c2)n1,QIUNHXMVTBWKMQ-UHFFFAOYSA-N,2,1,0.333,42,725,424.399,3.833,6,0.424,0.62,1.0,0.10643547392228085,0.16982215064080597,0.5558820505791241,0.587990884791995,0.3550326399835515
EOS-2-32190,Fc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)n1,LMOWPSVWVKUIDL-UHFFFAOYSA-N,2,1,0.321,3,289,424.399,3.833,6,0.424,0.74,0.999,0.09650640805976286,0.2457422383661161,0.497369954081283,0.5595315605510246,0.3497875402645466
EOS-2-32191,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)ccn2)nc1,SLSQTQKNSKTRBT-UHFFFAOYSA-N,2,1,0.488,24,912,424.399,3.233,5,0.395,0.65,1.0,0.8389760811459118,0.7259012404907135,0.7445771365910493,0.6909738880131588,0.7501070865602084
EOS-2-32192,Fc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)cn3)n12,VMXTWTOSZOVTGI-UHFFFAOYSA-N,2,1,0.3,32,693,424.399,4.038,6,0.455,0.73,0.992,0.20530635323144403,0.30725275854979095,0.5785844013432938,0.5788414090877938,0.41749623055308066
EOS-2-32193,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ncco4)cc3)n12,KNHCWLKSGHUOGH-UHFFFAOYSA-N,2,1,0.325,9,834,424.399,4.038,6,0.455,0.64,1.0,0.3283530943732438,0.37054519909533273,0.6430590775135357,0.6298917140703173,0.49296227126310743
EOS-2-32194,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)o2)cc1,AMJUBVOKQTXTPC-UHFFFAOYSA-N,2,1,0.377,3,641,424.399,4.038,6,0.455,0.72,1.0,0.28123500788157085,0.4885545884449318,0.532057432663971,0.597148927421013,0.47474898910287167
EOS-2-32195,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)nn2)c1,KEJXTNJOIILUST-UHFFFAOYSA-N,2,1,0.327,10,37,424.399,3.833,6,0.424,0.68,0.991,0.01352717428551847,0.11208964430128161,0.5009509286546501,0.5788499760126106,0.3013544308135152
EOS-2-32196,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)c4)n23)cc1,APHWFCXQNUNLHI-UHFFFAOYSA-N,2,1,0.536,16,82,424.399,3.233,5,0.422,0.74,1.0,0.9607035158659447,0.8803286272359674,0.7033616612980604,0.667551915564389,0.8029864299910905
EOS-2-32197,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)cn5)n4)n23)cc1,REXQBGGNJNESLP-UHFFFAOYSA-N,2,1,0.522,89,731,424.399,3.233,5,0.422,0.73,1.0,0.8954235487629361,0.8544479473648139,0.665564389006922,0.6531423480227537,0.7671445582893563
EOS-2-32198,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)cc1,POIMOYHYHZGDLG-UHFFFAOYSA-N,2,1,0.35,3,289,424.399,3.833,6,0.424,0.7,1.0,0.08664587759577821,0.18268110479062435,0.5152833938729354,0.5724847508738263,0.33927378178329104
EOS-2-32199,Fc1cc(-c2cnco2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,SYKFXPCVYDKZQZ-UHFFFAOYSA-N,2,1,0.317,9,834,424.399,4.038,6,0.455,0.74,1.0,0.3954920841614694,0.42244362963470633,0.6872986772668083,0.6880097320265918,0.548311030772394
EOS-2-32200,N#Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)ncc1F,HVOHRZGTBRVLLE-UHFFFAOYSA-N,2,1,0.449,19,691,424.399,3.233,5,0.422,0.73,0.998,0.6541875128503872,0.6633455554794051,0.6072407648550476,0.6126550613391817,0.6343572236310053
EOS-2-32201,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cccnc5)n4)n23)cc1,NHVYOXWXYGHBQZ-UHFFFAOYSA-N,2,1,0.517,97,335,424.399,3.233,5,0.422,0.76,1.0,0.9182372695497224,0.9028339387293537,0.5880765540401618,0.5879994517168118,0.7492868035090124
EOS-2-32202,Fc1cc(-c2ncco2)ccc1-c1nnc2cncc(-c3cn(-c4ccccc4)nn3)n12,ONFHQQQBZQXUEA-UHFFFAOYSA-N,2,1,0.321,30,298,424.399,3.833,6,0.424,0.74,1.0,0.05038208484682338,0.15444452059488725,0.4874494551435817,0.5398876019464053,0.3080409156329244
EOS-2-32203,N#Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(F)c5)nc4)n23)cc1,SHCUGAJVEAJOQB-UHFFFAOYSA-N,2,1,0.543,16,863,424.399,3.233,5,0.422,0.7,1.0,0.9742049893770133,0.9211671578370229,0.6982557741073264,0.6733517236652731,0.8167449112466589
EOS-2-32204,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)ccc1-c1cc[nH]n1,TUDJTPHGEHIFBY-UHFFFAOYSA-N,2,1,0.329,9,340,424.399,4.038,6,0.455,0.69,1.0,0.31068809540127473,0.41335412240422176,0.6900229593585087,0.6965595229936262,0.5276561750394079
EOS-2-32205,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nc4)n23)n1,SIXDPPKPIUVLSE-UHFFFAOYSA-N,2,1,0.489,4,390,424.399,3.233,5,0.422,0.63,1.0,0.7306987183880475,0.7876173668699884,0.6602957302446714,0.6213333561784662,0.6999862929202934
EOS-2-32206,Fc1cc(-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)ccc1-c1ncco1,NGOQZGXGKWCHBU-UHFFFAOYSA-N,2,1,0.329,42,150,424.399,3.833,6,0.424,0.69,1.0,0.0679699814954424,0.1786460832019738,0.5354156671921048,0.5398961688712219,0.33048197519018574
EOS-2-32207,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3conc3-c3ccccc3)n12,YVQWWUOBRHZGLJ-UHFFFAOYSA-N,2,1,0.321,30,834,424.399,4.038,6,0.455,0.63,1.0,0.30795524638475774,0.30726132547460766,0.5354242341169214,0.6029316016722637,0.4383931019121376
EOS-2-32208,N#Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cc(F)ccn5)c4)n23)cc1,PWEZSNSLSVFIEP-UHFFFAOYSA-N,2,1,0.523,89,659,424.399,3.233,5,0.422,0.67,1.0,0.9366561579055582,0.8777842505654171,0.7318638201631142,0.7238194777602632,0.8175309265985882
EOS-2-32209,N#Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)cc1,ZACWCYDCUQWWGM-UHFFFAOYSA-N,2,1,0.524,89,770,424.399,3.233,5,0.422,0.71,1.0,0.8787266122952505,0.7352734562401481,0.6739085737783566,0.6446696593790693,0.733144575423206
EOS-2-32210,Fc1ccc(F)c(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)c1,IGQOPUFDNLMXKR-UHFFFAOYSA-N,2,1,0.512,34,820,424.396,2.957,5,0.424,0.63,0.999,0.46610924542526216,0.5712596806250428,0.41562435748063875,0.48717531354944826,0.48504214927009803
EOS-2-32211,O=c1cc(C(F)F)nc(-c2nnc3cncc(-c4ccc(-c5cncs5)cn4)n23)[nH]1,RDUCTKPYTMAPQA-UHFFFAOYSA-N,2,1,0.27,50,243,424.396,2.998,5,0.472,0.56,0.696,0.25209032965526695,0.2607172229456514,0.4665118908916455,0.45342162977177713,0.3581852683160852
EOS-2-32212,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)cc1F,ZANROWNXNGXSNW-UHFFFAOYSA-N,2,1,0.542,53,391,424.396,2.957,5,0.424,0.67,1.0,0.5468268110479062,0.6975789870468097,0.4629566170927284,0.5165941333698856,0.5559891371393324
EOS-2-32213,FC(F)Oc1ccc(-c2nnc3cncc(-c4cnc(-c5nncs5)cn4)n23)cc1,XHRJDMVUSVLFAN-UHFFFAOYSA-N,2,1,0.521,50,845,424.396,3.368,5,0.423,0.7,1.0,0.39324754985950244,0.5527808237954903,0.5689980124734425,0.5755345761085601,0.5226402405592488
EOS-2-32214,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5csnn5)cn4)n23)c(F)c1,RSOWUVYSSQDTQD-UHFFFAOYSA-N,2,1,0.524,73,446,424.396,2.957,5,0.424,0.71,1.0,0.45890446165444454,0.6292834624083339,0.44172777739702557,0.487183880474265,0.5042748954835172
EOS-2-32215,Fc1cncc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccns5)n4)n23)c1,AKYAEEVLSWCTLY-UHFFFAOYSA-N,2,1,0.432,51,196,424.396,2.957,5,0.424,0.64,1.0,0.5940905352614625,0.6057501199369474,0.2643838667671852,0.3290984168322939,0.4483307346994722
EOS-2-32216,FC(F)Oc1ccc(-c2nnc3cncc(-c4cnnc(-c5cncs5)n4)n23)cc1,XMZNEKBJLROICS-UHFFFAOYSA-N,2,1,0.5,50,121,424.396,3.368,5,0.423,0.72,1.0,0.3797803440477006,0.5577068055650743,0.5589061750394079,0.5788585429374272,0.5188129668974025
EOS-2-32217,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)c(F)c1,WUNCAGMZQHNYCR-UHFFFAOYSA-N,2,1,0.536,34,820,424.396,2.957,5,0.424,0.63,1.0,0.49568226989239944,0.6388869851278185,0.4156329244054554,0.48719244739908163,0.5093486567061888
EOS-2-32218,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)cc1,FICYPUWFNKHDHM-UHFFFAOYSA-N,2,1,0.38,32,20,424.395,4.907,6,0.397,0.71,1.0,0.3499246110616133,0.41804023027893905,0.6739171407031732,0.7291309711465972,0.5427532382975807
EOS-2-32219,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,KKGDEAUFQWMKSU-UHFFFAOYSA-N,2,1,0.38,69,30,424.395,4.907,6,0.397,0.79,1.0,0.3405438283873621,0.422452196559523,0.7188934959906792,0.7605972859982181,0.5606217017339455
EOS-2-32220,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)o2)cc1,LAZXZUNDMCUXFH-UHFFFAOYSA-N,2,1,0.397,3,641,424.395,4.907,6,0.397,0.79,1.0,0.34055239531217874,0.47092385717222945,0.660304297169488,0.7159293400041121,0.546927472414502
EOS-2-32221,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,KTJZBFGKXLAZHE-UHFFFAOYSA-N,2,1,0.342,69,152,424.395,4.907,6,0.397,0.77,1.0,0.4017716400520869,0.43605647316839147,0.7989085737783566,0.8007161949146734,0.6093632204783771
EOS-2-32222,Fc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,ANBXSTWXAOSXIE-UHFFFAOYSA-N,2,1,0.342,69,484,424.395,4.907,6,0.397,0.79,1.0,0.4381211020492084,0.4932663970940991,0.8090175450620245,0.7870947844561716,0.6318749571653759
EOS-2-32223,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)ccc1-c1cocn1,DGMYORAPVOWTQN-UHFFFAOYSA-N,2,1,0.377,69,484,424.395,4.907,6,0.397,0.73,1.0,0.4105870056884381,0.46661469398944555,0.820300185045576,0.8138578575834419,0.6278399355767255
EOS-2-32224,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)nc2)o1,BFUKGJMYRAXSPR-UHFFFAOYSA-N,2,1,0.266,70,813,424.384,2.657,6,0.411,0.66,1.0,0.11135288876704819,0.08659447604687821,0.07442087588239325,0.06752450140497566,0.08497318552532383
EOS-2-32225,c1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)o1,YPFBOMREXXCFGA-UHFFFAOYSA-N,2,1,0.481,67,722,424.384,2.814,6,0.438,0.66,1.0,0.48085292303474747,0.4360650400932081,0.2717685559591529,0.24995716537591667,0.3596609211157563
EOS-2-32226,Cc1noc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cccnc6)no5)n34)cn2)n1,PUXGQTWWQIGYLL-UHFFFAOYSA-N,2,1,0.319,86,812,424.384,2.657,6,0.411,0.74,1.0,0.2300990336508807,0.15445308751970394,0.03514152559797135,0.03604961962853814,0.11393581659927353
EOS-2-32227,c1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)cn2)n[nH]1,GMWYBSRLVRGWJF-UHFFFAOYSA-N,2,1,0.372,6,870,424.384,2.814,6,0.438,0.59,0.951,0.47601261051333016,0.39424988006305256,0.18683606332670824,0.16211191830580496,0.304802618052224
EOS-2-32228,O=c1onc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cc2)o1,XMPOONBJWPJNSW-UHFFFAOYSA-N,2,1,0.329,69,958,424.376,3.722,6,0.416,0.72,1.0,0.3381964909875951,0.22526728805428003,0.47009286546501267,0.43454869440065796,0.36702633472688645
EOS-2-32229,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,OXCKGCHIXVJTOW-UHFFFAOYSA-N,2,1,0.529,36,404,424.375,1.572,5,0.418,0.64,1.0,0.4381296689740251,0.5917860324857789,0.11064183400726475,0.170027756836406,0.32764632307586866
EOS-2-32230,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nnn(C(F)F)n5)n34)cc2)cn1,FRLSOUGNLYWXNZ-UHFFFAOYSA-N,2,1,0.459,36,404,424.375,2.152,5,0.407,0.64,1.0,0.33331334384209443,0.40399904050442054,0.17053320540058942,0.14165410184360222,0.26237492289767667
EOS-2-32231,Cn1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)nn1,GMWOEUWEAAVCHE-UHFFFAOYSA-N,2,1,0.495,92,468,424.375,2.152,5,0.407,0.7,1.0,0.19987492289767664,0.36093310945103146,0.3232643410321431,0.24133027208553218,0.28135066136659587
EOS-2-32232,Cn1ncnc1COc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)n4)cc3)n12,RVDRPSFMQQCFDR-UHFFFAOYSA-N,2,1,0.443,36,404,424.375,2.152,5,0.407,0.62,1.0,0.4932663970940991,0.4446490987595093,0.1517973408265369,0.11254369131656501,0.3005641319991776
EOS-2-32233,CCn1cc(-c2nc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)no2)cn1,FBTMLZLMGIPNIR-UHFFFAOYSA-N,2,1,0.494,73,756,424.371,2.915,5,0.409,0.76,1.0,0.5821910766911109,0.557715372489891,0.2793759851963539,0.294693646768556,0.428494020286478
EOS-2-32234,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n(C)n2)o1,OLJHOPCOAQWNKF-UHFFFAOYSA-N,2,1,0.42,36,706,424.371,3.613,5,0.421,0.75,1.0,0.5996333356178466,0.5159344801590021,0.4417363443218422,0.37109348228359945,0.4820994105955726
EOS-2-32235,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n(C)n2)o1,RSEBJPLSEKVVDJ-UHFFFAOYSA-N,2,1,0.548,36,391,424.371,2.74,5,0.424,0.66,1.0,0.6334469878692345,0.6633541224042218,0.2869320128846549,0.2947022136933726,0.4696088342128709
EOS-2-32236,Cn1nc(-c2nnco2)cc1COc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,NGQNNAKTCKWRFC-UHFFFAOYSA-N,2,1,0.488,36,51,424.371,3.091,5,0.409,0.72,1.0,0.6222500171338496,0.5112997738331848,0.5188729353711192,0.4564628880816942,0.527221403604962
EOS-2-32237,CCn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)no1,GGNRJHKQEPAYMO-UHFFFAOYSA-N,2,1,0.506,36,908,424.371,2.915,5,0.409,0.64,1.0,0.5239616887122198,0.5766225755602769,0.3012387773284902,0.3419488040572956,0.4359429614145706
EOS-2-32238,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)cc1-c1ncon1,WCTIMLFXYDZEQQ-UHFFFAOYSA-N,2,1,0.483,95,998,424.371,2.474,5,0.409,0.65,1.0,0.3727725995476664,0.209975327256528,0.3049996573230073,0.35471352203413065,0.3106152765403331
EOS-2-32239,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(-c3ccc(-n4ccnc4)cc3)n12,VIGJCXZZOXHATA-UHFFFAOYSA-N,2,1,0.337,96,315,424.361,4.802,5,0.391,0.74,1.0,0.17436262079363993,0.4040076074292372,0.9946456719895826,0.9910389966417654,0.6410137242135563
EOS-2-32240,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cc(F)c(F)c(F)c4F)n23)cc1,APPHZDQGCKNQHY-UHFFFAOYSA-N,2,1,0.342,45,102,424.361,4.415,5,0.245,0.81,1.0,0.37278116647248305,0.4797991912822973,0.9783685148379138,0.9728856829552464,0.7009586388869851
EOS-2-32241,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)cc1F,KLDXYYKNDNYZIV-UHFFFAOYSA-N,2,1,0.36,45,315,424.361,4.86,5,0.387,0.76,1.0,0.08016071550956069,0.4314389006922075,0.9873038174216983,0.9870639435268316,0.6214918442875745
EOS-2-32242,Cn1nccc1-c1cc(F)c(F)c(-c2cncc3nnc(-c4ccc(F)cc4F)n23)c1,YHFJTFBRUKBYSL-UHFFFAOYSA-N,2,1,0.374,45,102,424.361,4.415,5,0.403,0.76,1.0,0.2755208690288534,0.46239976697964497,0.9725772736618463,0.9741878555273799,0.6711714412994312
EOS-2-32243,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)c1,OPYTZYIKYNGHMH-UHFFFAOYSA-N,2,1,0.351,96,315,424.361,4.802,5,0.391,0.79,1.0,0.06991467342882599,0.4085309437324378,0.9933863340415324,0.990276540333082,0.6155271228839696
EOS-2-32244,Fc1ccc(COc2cncc3nnc(-c4n[nH]c(-c5ccc(F)c(F)c5)n4)n23)nc1,PSTNVHOJCGKIOU-UHFFFAOYSA-N,2,1,0.472,73,708,424.346,2.968,5,0.462,0.75,0.998,0.5391679802618052,0.5113083407580015,0.6516945377287369,0.7047409361935439,0.6017279487355218
EOS-2-32245,Fc1ccnc(-n2cnnc2COc2cncc3nnc(-c4cc(F)ccc4F)n23)c1,XEZGRBCOBCPVHA-UHFFFAOYSA-N,2,1,0.435,34,446,424.346,2.763,5,0.428,0.59,1.0,0.3909944486327188,0.47980775820711397,0.5944589130285792,0.6824926324446576,0.5369384380782674
EOS-2-32246,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1F,QYKZAVCZAOSCMC-UHFFFAOYSA-N,2,1,0.582,43,499,424.346,2.968,5,0.432,0.75,1.0,0.9080254951682544,0.834589815639778,0.8674525392365157,0.8542337742443973,0.8660754060722363
EOS-2-32247,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c(F)c1,JZQCSJOEIXSDER-UHFFFAOYSA-N,2,1,0.564,43,499,424.346,2.968,5,0.462,0.71,1.0,0.9096103762593379,0.7919265300527722,0.8347011856623946,0.8298780069906107,0.8415290247412789
EOS-2-32248,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)c1,PYSJLTAZQHXAGH-UHFFFAOYSA-N,2,1,0.489,22,990,424.346,3.175,5,0.428,0.75,1.0,0.1527825371804537,0.6057586868617642,0.7134791995065451,0.7708261942293194,0.5607116544445205
EOS-2-32249,Cc1nnc(-c2cnncc2-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)o1,GOVPSVZYAJAOHU-UHFFFAOYSA-N,2,1,0.356,61,121,424.346,3.626,5,0.432,0.63,1.0,0.3775101089712837,0.45782502912754436,0.8913199917757522,0.8198718388047427,0.6366317421698308
EOS-2-32250,Fc1ccc(-c2nnc3cncc(-c4cn(-c5ccccn5)nn4)n23)c(OC(F)F)c1,BOZFLOSCAUMIOB-UHFFFAOYSA-N,2,1,0.392,22,985,424.346,3.175,5,0.428,0.72,0.833,0.0641919676512919,0.41804879720375576,0.7493403467891165,0.7606058529230347,0.4980467411417997
EOS-2-32251,Fc1ccc(F)c(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cn4)n23)c1F,XSHOFZXUDZHCEC-UHFFFAOYSA-N,2,1,0.518,73,877,424.346,2.763,5,0.4,0.62,1.0,0.3309488725926941,0.4534730313206771,0.7583356178466177,0.7400023987389487,0.5706899801247344
EOS-2-32252,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5cc(F)ccc5F)n34)n2)cc1,DUYYYTWLZQVDIH-UHFFFAOYSA-N,2,1,0.453,34,612,424.346,2.763,5,0.428,0.65,1.0,0.3635031868960318,0.4885631553697485,0.5389623740662052,0.6619063121102049,0.5132337571105476
EOS-2-32253,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)cc1,BAZWOKQISKZSRK-UHFFFAOYSA-N,2,1,0.556,34,612,424.346,2.763,5,0.428,0.63,1.0,0.5132873003906517,0.6539390720307039,0.5849838941813447,0.6880182989514084,0.6100571413885272
EOS-2-32254,Fc1ccc(-c2nnc3cncc(OCc4nnnn4-c4ccc(F)c(F)c4)n23)cc1,DCYPMLPRNVFETM-UHFFFAOYSA-N,2,1,0.588,34,612,424.346,2.763,5,0.428,0.7,1.0,0.6937752724282091,0.8080751833321911,0.6221472140360497,0.734759440751148,0.7146892776368995
EOS-2-32255,Fc1cccc(-n2nnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)c1,XLFBXVXBIKTYPW-UHFFFAOYSA-N,2,1,0.518,34,612,424.346,2.763,5,0.428,0.66,1.0,0.5157802755123021,0.6584881091083544,0.5657254471934754,0.6733602905900897,0.6033385306010555
EOS-2-32256,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)cc1F,PEKPHWWLMZMRAR-UHFFFAOYSA-N,2,1,0.615,43,96,424.342,3.838,5,0.423,0.71,1.0,0.972508738263313,0.9430642176684257,0.9260417380577068,0.914767664998972,0.9390955897471043
EOS-2-32257,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(OC(F)F)c1,NIMGUUDUYSKENV-UHFFFAOYSA-N,2,1,0.389,96,697,424.342,4.249,5,0.417,0.76,1.0,0.7602803097800014,0.8309317387430608,0.9318072784593242,0.9168579946542389,0.8599693304091562
EOS-2-32258,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)cc1F,CZQWWRFOQIJMJB-UHFFFAOYSA-N,2,1,0.712,43,96,424.342,3.838,5,0.423,0.76,1.0,0.9725173051881296,0.9389520937564252,0.9215869371530395,0.9091134946199713,0.9355424576793914
EOS-2-32259,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)no2)cc1,INNSHPHORMJENB-UHFFFAOYSA-N,2,1,0.59,34,210,424.342,3.838,5,0.423,0.78,1.0,0.8880902611198684,0.8447930230964293,0.7942738674525393,0.8277448427112604,0.8387254985950243
EOS-2-32260,Fc1cc(-c2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)ccc1-c1cnco1,IZXCHXWZEKPWKC-UHFFFAOYSA-N,2,1,0.344,96,478,424.342,4.249,5,0.417,0.82,1.0,0.7690785415667192,0.8273850318689603,0.9409738880131588,0.9201219930093893,0.8643898636145568
EOS-2-32261,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccccc5F)n4)n23)cc1F,PVVHLHZPLQMPMJ-UHFFFAOYSA-N,2,1,0.549,34,210,424.342,3.838,5,0.423,0.74,1.0,0.8617298334589816,0.8118788979507916,0.7655918031663355,0.8114933863340416,0.8126734802275376
EOS-2-32262,Fc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(F)c(F)c5)o4)n23)cc1,KBPHQLVBRHQAMW-UHFFFAOYSA-N,2,1,0.603,34,372,424.342,3.838,5,0.423,0.76,1.0,0.9425245014049757,0.9455400589404427,0.8112106778150915,0.8399355767253787,0.8848027037214722
EOS-2-32263,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4ccon4)cn3)n12,SEHPIHVPQUCGIP-UHFFFAOYSA-N,2,1,0.432,96,121,424.342,4.249,5,0.417,0.74,1.0,0.6082602289082311,0.7306301829895141,0.9287146186005072,0.9124802960729217,0.7950213316427935
EOS-2-32264,Fc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1nnco1,DWQDYORKDCGUKD-UHFFFAOYSA-N,2,1,0.542,34,178,424.342,3.838,5,0.423,0.72,1.0,0.9504403399355768,0.90047803440477,0.9148276334726887,0.9045901583167706,0.9175840415324515
EOS-2-32265,Fc1ccc(-c2nc(COc3cncc4nnc(-c5cc(F)ccc5F)n34)no2)cc1,SWATXNMEVIICFN-UHFFFAOYSA-N,2,1,0.494,34,210,424.342,3.838,5,0.423,0.77,1.0,0.7029161812075937,0.7489891028716332,0.7583441847714344,0.8115019532588582,0.7554378555273799
EOS-2-32266,Fc1cc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cnc1-c1ccon1,NLUPTSXRJAIVHU-UHFFFAOYSA-N,2,1,0.494,96,121,424.342,4.249,5,0.417,0.74,0.999,0.5711911452265095,0.7259098074155301,0.9148362003975054,0.9032879857446371,0.7788062846960455
EOS-2-32267,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)no2)cc1,MMBFMIAKJXRRER-UHFFFAOYSA-N,2,1,0.537,34,146,424.342,3.838,5,0.423,0.79,1.0,0.7119799876636282,0.7617709546981015,0.7583527516962512,0.8115105201836749,0.7609035535604141
EOS-2-32268,FC(F)(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnco5)nc4)n23)cc1,OXLDHHDLVLVUQP-UHFFFAOYSA-N,2,1,0.59,27,676,424.342,4.652,5,0.415,0.78,1.0,0.9626482077993284,0.8910287163319854,0.9768179014460969,0.9382924405455417,0.9421968165307382
EOS-2-32269,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)no2)nc1,OTBBNVWXZGKGRV-UHFFFAOYSA-N,2,1,0.575,59,294,424.342,3.838,5,0.423,0.65,1.0,0.6999263244465767,0.5435456788431224,0.8645483517236653,0.8692173257487492,0.7443094201905284
EOS-2-32270,Fc1cccc(-c2nnc3cncc(OCc4noc(-c5ccc(F)c(F)c5)n4)n23)c1,BWJGFNSMIVGWFG-UHFFFAOYSA-N,2,1,0.548,34,210,424.342,3.838,5,0.423,0.76,1.0,0.7664142279487355,0.740096634911932,0.7795216229182372,0.8198804057295593,0.776478222877116
EOS-2-32271,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)o2)c1,WVAHWUOIIPCYOD-UHFFFAOYSA-N,2,1,0.506,96,574,424.342,4.249,5,0.417,0.76,1.0,0.7395226509492153,0.8828473031320677,0.8780583921595504,0.884980467411418,0.8463522034130629
EOS-2-32272,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)o2)cc1,LXCOCDQJMASEBN-UHFFFAOYSA-N,2,1,0.519,96,574,424.342,4.249,5,0.417,0.8,1.0,0.7572647522445343,0.8828558700568844,0.8867709546981015,0.8917397710917689,0.8546578370228223
EOS-2-32273,FC(F)(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4)n23)cc1,LXSDBXXVCDCYCH-UHFFFAOYSA-N,2,1,0.649,1,528,424.342,4.652,5,0.415,0.78,1.0,0.9613888698512781,0.8983191693509698,0.9777859639503804,0.9449061065040093,0.9456000274141594
EOS-2-32274,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)c(F)c1F,ISOYYCGUZNLCLY-UHFFFAOYSA-N,2,1,0.562,43,909,424.342,3.838,5,0.396,0.73,1.0,0.9221866218902063,0.8883301350147351,0.9167723254060722,0.8930762113631691,0.9050913234185457
EOS-2-32275,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,WPOMCFNHHIQZHF-UHFFFAOYSA-N,2,1,0.575,43,178,424.342,3.838,5,0.396,0.72,1.0,0.9445291618120759,0.8961174696730861,0.9167808923308889,0.8959803988760194,0.9133519806730176
EOS-2-32276,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4)n23)nn1,RBRNCDPBZSGTQB-UHFFFAOYSA-N,2,1,0.488,72,251,424.327,3.025,5,0.401,0.77,1.0,0.8109965046946748,0.6157305873483654,0.5558906175039408,0.4811613323281475,0.6159447604687821
EOS-2-32277,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5nc(Cl)cnc5Cl)n4)n23)cc1,FWGNZLYUUKFVBB-UHFFFAOYSA-N,2,1,0.536,73,335,475.683,4.171,5,0.369,0.68,1.0,0.6908967856898088,0.7955503392502228,0.27177712288396955,0.5095521211705846,0.5669440922486465
EOS-2-32278,Clc1ccc(-c2nnc3cncc(-c4cc(Cl)c(-c5cccs5)cn4)n23)cc1,ZYVVBTPMMKOPRB-UHFFFAOYSA-N,2,1,0.455,45,140,424.316,5.889,5,0.363,0.81,1.0,0.35903981906654786,0.6106418340072648,0.8867795216229183,0.9486327187992598,0.7012734733739976
EOS-2-32279,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)s5)cc4)n23)cc1,FUSNLHZIAOCDLK-UHFFFAOYSA-N,2,1,0.484,83,558,424.316,5.889,5,0.363,0.82,1.0,0.2951905284079227,0.6106504009320814,0.8962288396957029,0.9441179494208759,0.6865469296141458
EOS-2-32280,Clc1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,DHPOBFBJZCQYKQ-UHFFFAOYSA-N,2,1,0.408,83,558,424.316,5.889,5,0.363,0.81,1.0,0.2730792954561031,0.49814954423959973,0.917757521759989,0.9577736275786444,0.6616899972585841
EOS-2-32281,Clc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cs2)cc1,STRQQXITFAUQGB-UHFFFAOYSA-N,2,1,0.492,83,533,424.316,5.889,5,0.363,0.81,1.0,0.2544633678294839,0.6436673291755192,0.8541052703721472,0.9383010074703585,0.6726342437118772
EOS-2-32282,Cn1c(-c2cnc(Cl)cn2)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,DMTSHLAZIKOOHD-UHFFFAOYSA-N,2,1,0.492,22,311,424.255,3.351,5,0.438,0.83,1.0,0.19153073812624222,0.44465766568432596,0.17408847919950654,0.4248937701322733,0.308792663285587
EOS-2-32283,Cn1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)n1,UBBUVYJLRHJGMW-UHFFFAOYSA-N,2,1,0.423,22,649,424.255,3.351,5,0.438,0.79,1.0,0.2755294359536701,0.4666232609142622,0.3493506270988966,0.572493317798643,0.415999160441368
EOS-2-32284,Cn1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)cn1,OHIFCBGRMXNMIW-UHFFFAOYSA-N,2,1,0.378,22,844,424.255,3.351,5,0.438,0.75,1.0,0.18585943389760812,0.38962374066205196,0.3568381193886642,0.5262661914879035,0.36464687135905693
EOS-2-32285,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(Cl)nc(Cl)n4)n23)cc1,VZDDDVPNCASILK-UHFFFAOYSA-N,2,1,0.347,22,890,424.255,3.351,5,0.324,0.71,1.0,0.14691419368103625,0.24077342197244878,0.34155472551572885,0.45970118566239465,0.29723588170790216
EOS-2-32286,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)n1,YWFNBJUXZIWNLO-UHFFFAOYSA-N,2,1,0.382,22,649,424.255,3.351,5,0.438,0.8,1.0,0.17712117058460694,0.41336268932903847,0.34935919402371324,0.5565160030155575,0.37408976423822904
EOS-2-32287,Clc1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(-c5nncs5)c4)n23)c(Cl)c1,LLIGVKXEIUXVTP-UHFFFAOYSA-N,2,1,0.494,13,145,475.748,6.062,5,0.314,0.76,1.0,0.6422452196559523,0.882864436981701,0.8926050304982523,0.9493266397094099,0.8417603317113289
EOS-2-32288,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,FGJOXLPOHCASAV-UHFFFAOYSA-N,2,1,0.571,13,913,424.247,5.545,5,0.377,0.81,1.0,0.8389846480707285,0.8636916592419985,0.922554999657323,0.9425587691042423,0.891947519018573
EOS-2-32289,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccon5)cc4)n23)c(Cl)c1,KLRLYWRSNIFJSG-UHFFFAOYSA-N,2,1,0.519,57,15,424.247,5.545,5,0.377,0.82,1.0,0.7183966143513124,0.8309403056678775,0.9030309780001371,0.9357223631005415,0.8470225652799671
EOS-2-32290,FC(F)(F)c1nnc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)o1,VBTDUAQPNUKDOB-UHFFFAOYSA-N,2,1,0.466,27,52,475.778,3.278,5,0.373,0.65,1.0,0.6571174011376876,0.7533753683777671,0.5288020012336372,0.41850284421903916,0.5894494037420327
EOS-2-32291,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)n(C(F)(F)F)n1,MBEGRXLTPLJTLR-UHFFFAOYSA-N,2,1,0.452,36,292,475.822,4.188,5,0.375,0.64,1.0,0.6790230278939072,0.8513638544308135,0.6603128640943047,0.6126636282639983,0.700840843670756
EOS-2-32292,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)n(C)n1,GAFRTFWGMVYOQW-UHFFFAOYSA-N,2,1,0.462,36,292,475.822,3.785,5,0.39,0.72,1.0,0.6334555547940511,0.7834195737098211,0.8412206154478789,0.7606144198478514,0.7546775409499006
EOS-2-32293,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnc(F)o6)c(Cl)n5)n34)cc2)o1,LXCBIYURLFFIDK-UHFFFAOYSA-N,2,1,0.31,38,303,475.831,4.054,6,0.367,0.6,0.998,0.412703036118155,0.5435542457679391,0.23959118634774862,0.2947107806181893,0.372639812213008
EOS-2-32294,N#Cc1nc(-c2ccnnc2)cc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)n1,IBNIXJDRRKMWQU-UHFFFAOYSA-N,2,1,0.376,31,851,475.835,2.114,5,0.331,0.55,1.0,0.6880011651017751,0.6539476389555205,0.1643564526077719,0.2179340004112124,0.43105981426907003
EOS-2-32295,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncc(Cl)cn6)nn5)n34)c(F)c2)n1,MMYRLZOESJXGOJ-UHFFFAOYSA-N,2,1,0.31,86,618,475.835,2.98,6,0.373,0.64,1.0,0.14143136179836885,0.2303046398464807,0.1365482146528682,0.21240833390446165,0.18017313755054484
EOS-2-32296,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nn[nH]n6)cc5Cl)n34)c(F)c2)o1,PILGQWDKIGXHRM-UHFFFAOYSA-N,2,1,0.31,22,424,475.835,3.184,6,0.402,0.59,1.0,0.2812435748063875,0.4314474676170242,0.2903673497361387,0.3778013844150504,0.34521494414365017
EOS-2-32297,Fc1nccc(-c2ccc(-c3nnc4cncc(OCc5nc(F)c(F)s5)n34)cc2Cl)n1,GGPJTIAENFIAKW-UHFFFAOYSA-N,2,1,0.517,73,526,475.843,4.355,5,0.349,0.66,1.0,0.7720169967788363,0.8513724213556302,0.7318723870879309,0.7581300116510178,0.7783479542183539
EOS-2-32298,N#Cc1ccc(Cl)cc1COc1cncc2nnc(-c3cncc(-c4ccc(F)c(F)n4)c3)n12,LMVZJBMSZLLZPS-UHFFFAOYSA-N,2,1,0.473,59,109,475.846,4.631,5,0.341,0.63,1.0,0.912651634569255,0.9028425056541703,0.9508943869508601,0.9506288122815434,0.9292543348639573
EOS-2-32299,Fc1c(Cl)ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1F,MGQHATBFLCPRGA-UHFFFAOYSA-N,2,1,0.337,3,150,475.846,5.231,6,0.324,0.71,0.999,0.1363083407580015,0.3942584469878692,0.9325954355424577,0.9383095743951751,0.6003679494208759
EOS-2-32300,Fc1cc(Cl)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)cc1F,XZBGVUYEXGSVGC-UHFFFAOYSA-N,2,1,0.327,3,150,475.846,5.231,6,0.324,0.76,1.0,0.16351689397573846,0.3609416763758481,0.9318158453841409,0.9416421081488588,0.5994791309711466
EOS-2-32301,Cc1nc(-c2nnc3ccccn23)c(F)c(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,LULRDHYJUVOTDG-UHFFFAOYSA-N,2,1,0.371,22,730,475.85,4.198,6,0.378,0.58,0.996,0.3405609622369954,0.4932749640189158,0.3980964293057364,0.6029401685970804,0.45871813103968206
EOS-2-32302,Cn1ncc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)c(-c6nc(CO)co6)c5)n34)nn2)n1,WCXUMLPFDMMZQA-UHFFFAOYSA-N,2,1,0.321,22,844,475.86,1.968,6,0.391,0.61,1.0,0.09877664313617984,0.27647179768350355,0.10541600986909738,0.14390720307038585,0.15614291343979164
EOS-2-32303,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6cc(Cl)[nH]n6)cn5)n34)n(C)n2)o1,ZJBMEYBACTWJDL-UHFFFAOYSA-N,2,1,0.295,53,706,475.86,3.114,6,0.393,0.62,1.0,0.3932561167843191,0.3992101295319032,0.07650263861284354,0.08219964361592763,0.2377921321362484
EOS-2-32304,O=C(Oc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1)c1ccc(F)cc1,UVKDAOPKBHHCIS-UHFFFAOYSA-N,2,1,0.61,1,397,475.867,4.777,5,0.258,0.85,1.0,0.8389932149955452,0.8273935987937769,0.8585001028030979,0.819888972654376,0.836193972311699
EOS-2-32305,Cc1nnc(-c2c(F)cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2F)o1,QUVVEADTBAXQRY-UHFFFAOYSA-N,2,1,0.412,31,237,475.868,4.159,5,0.337,0.59,0.995,0.7456480021931328,0.6202110890274827,0.3084521280241245,0.3964173120416695,0.5176821328216024
EOS-2-32306,CC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cc(Cl)ncc5F)c4)n23)cc1,YAEQRYXKEUBCQA-UHFFFAOYSA-N,2,1,0.489,16,214,475.871,4.217,5,0.265,0.66,1.0,0.9017459392776369,0.7212665341648962,0.7216349119320129,0.6446782263038859,0.7473314029196079
EOS-2-32307,Cn1nc(-c2nc(C(F)F)cs2)nc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,WXRGVIRWTAQWMH-UHFFFAOYSA-N,2,1,0.421,27,185,475.872,3.608,5,0.343,0.62,0.111,0.42195531492015625,0.6436758961003358,0.15180590775135358,0.2091786032485779,0.35665393050510585
EOS-2-32308,Cn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c3cccn3n2)n1,JMPXQHOGMIHXBE-UHFFFAOYSA-N,2,1,0.484,34,659,475.875,3.606,6,0.375,0.64,0.982,0.5881879240627784,0.7665512987458022,0.5115824823521349,0.5912377492975122,0.6143898636145569
EOS-2-32309,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cc2C#N)n1C,ICWCYAVCIZCZGQ-UHFFFAOYSA-N,2,1,0.484,36,404,475.875,3.533,5,0.378,0.63,1.0,0.5739068603933932,0.6487560825166199,0.5320659995887876,0.5530206976903571,0.5769374100472895
EOS-2-32310,Cc1nnc(-c2cc(F)c(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6)c5)n34)o2)n1C,PBJXXRLNWUSDMZ-UHFFFAOYSA-N,2,1,0.327,22,844,475.875,4.133,6,0.377,0.67,0.555,0.0029384552121170583,0.08322767459392777,0.28324823521348774,0.40904495922143785,0.1946148310602426
EOS-2-32311,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)ccc2F)n1C,YNPMFZQMTASMKY-UHFFFAOYSA-N,2,1,0.5,36,404,475.875,3.533,5,0.378,0.71,0.989,0.5157888424371188,0.7789048043314372,0.3943184154615859,0.46587793845521214,0.5387225001713385
EOS-2-32312,Fc1cc(-c2cncc3nnc(-c4ccc(Cl)c(C5(F)COC5)c4)n23)ccc1-c1cccnc1,QXRTVJFENIXATJ-UHFFFAOYSA-N,2,1,0.327,96,558,475.886,5.508,6,0.343,0.62,1.0,0.4127116030429717,0.6879497635528751,0.9826776780206977,0.9844167637584813,0.7669389520937564
EOS-2-32313,COC(=O)c1ccc(-c2nnc3cncc(OCc4c(-c5ccc(Cl)cc5)noc4C)n23)cc1,JUHFQACTBRCXGK-UHFFFAOYSA-N,2,1,0.571,1,230,475.892,4.774,5,0.323,0.81,1.0,0.8639229662120486,0.7447056404632993,0.5115910492769515,0.42490233705708996,0.6362804982523473
EOS-2-32314,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4nc(-c5ccnc(Cl)c5)cs4)n23)cc1,GYMLYCTWILHUNW-UHFFFAOYSA-N,2,1,0.364,32,750,475.896,5.424,6,0.314,0.74,1.0,0.25989479816325134,0.39921869645671987,0.5621616064697417,0.6880268658762251,0.47732549174148453
EOS-2-32315,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccc(=O)n(C)n1,HXOSPMWNGSHGLV-UHFFFAOYSA-N,2,1,0.495,4,224,475.896,3.188,5,0.368,0.68,1.0,0.4859416763758481,0.5207405249811528,0.44873552189705984,0.3744688506613666,0.4574716434788568
EOS-2-32316,Fc1c(Cl)cccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)o1,CSDWCSAQVNQUJJ-UHFFFAOYSA-N,2,1,0.325,3,641,475.896,5.424,6,0.335,0.71,1.0,0.31845829620999244,0.47523302035501336,0.6277671167157837,0.7159379069289288,0.5343490850524295
EOS-2-32317,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2OC)cn1,JUHRZGDMGZNAFC-UHFFFAOYSA-N,2,1,0.483,16,83,475.896,3.893,5,0.346,0.61,1.0,0.8315485573298609,0.6388955520526352,0.5977657460078131,0.437435748063875,0.6264114008635461
EOS-2-32318,COc1cc(-c2cnn(C)c(=O)c2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,WWUQQVVXLAZASF-UHFFFAOYSA-N,2,1,0.436,16,605,475.896,3.188,5,0.368,0.72,1.0,0.4932749640189158,0.43145603454184084,0.5523867452539236,0.47217462819546296,0.48732309300253585
EOS-2-32319,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccc(CO)nc1,JQCPNXMJQYBNDL-UHFFFAOYSA-N,2,1,0.442,16,83,475.896,3.377,5,0.377,0.65,1.0,0.8030378315399904,0.682946679459941,0.542294907819889,0.4405969433212254,0.6172190905352615
EOS-2-32320,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)cc2OC)cn1,YNIFVNZUOJBFRF-UHFFFAOYSA-N,2,1,0.473,16,83,475.896,3.893,5,0.324,0.68,1.0,0.794642245219656,0.712271263107395,0.6191830580494826,0.4249109039819067,0.6377518675896101
EOS-2-32321,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)o2)ccc1Cl,CXFNQKGGSLVWQQ-UHFFFAOYSA-N,2,1,0.307,32,572,475.896,5.424,6,0.335,0.75,0.797,0.3888955520526352,0.5485230621616065,0.6766756904941402,0.7659601809334521,0.5950136214104585
EOS-2-32322,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccccc4[N+](=O)[O-])n23)ccc1Cl,CWEZODUVGSHDNT-UHFFFAOYSA-N,2,1,0.562,91,309,475.896,4.375,5,0.253,0.67,0.997,0.8241296004386266,0.6389041189774518,0.5115996162017682,0.37110204920841616,0.5864338462065657
EOS-2-32323,Cc1cc(=O)n(C)nc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cn1,JLAJZCHUCREZTE-UHFFFAOYSA-N,2,1,0.446,20,279,475.9,2.32,5,0.363,0.63,0.83,0.4127201699677884,0.4534815982454938,0.07442944280720992,0.08756253855116168,0.2570484373929134
EOS-2-32324,Fc1c(Cl)cccc1-n1nnnc1-c1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,KRFCLMLISUJSQI-UHFFFAOYSA-N,2,1,0.31,3,158,475.9,4.35,6,0.373,0.71,0.779,0.06250428346240833,0.2922349393461723,0.42333458981563976,0.5971574943458297,0.34380782674251253
EOS-2-32325,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncc(CO)cn1,PYHNFYJQUQYLKK-UHFFFAOYSA-N,2,1,0.366,51,924,475.9,2.72,5,0.374,0.58,0.32,0.5821996436159276,0.5253152628332534,0.08832499485984512,0.08939586046192859,0.3213089404427386
EOS-2-32326,Clc1ncc(CCOc2cncc3nnc(-c4cc(-c5cnn(C6COC6)c5)ccn4)n23)cn1,KUAFATZBXIMHPK-UHFFFAOYSA-N,2,1,0.404,65,711,475.9,2.686,6,0.327,0.6,0.996,0.37751867589610033,0.23031320677129738,0.16748338016585568,0.19734768007675965,0.24316573572750325
EOS-2-32327,Fc1cc(Cl)ccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)n1,KFHKLIQAGHORRN-UHFFFAOYSA-N,2,1,0.329,3,158,475.9,4.35,6,0.373,0.61,0.999,0.06992324035364265,0.33152285655541086,0.4381296689740251,0.6093225275854979,0.36222457336714414
EOS-2-32328,CCc1c(C)nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)[nH]c1=O,WIIBSXXRXXBMCS-UHFFFAOYSA-N,2,1,0.393,92,617,475.9,2.83,5,0.393,0.62,0.87,0.38890411897745186,0.47524158727983,0.08102597491604413,0.09136625316976218,0.25913448358577207
EOS-2-32329,Cc1cc(Oc2ccc(COc3ccc(-c4nnc5cncc(C)n45)nc3)cc2F)ccc1Cl,FTYVMCVXXWTARD-UHFFFAOYSA-N,2,1,0.356,14,586,475.911,5.967,5,0.301,0.82,1.0,0.5765626070865603,0.5819512027962442,0.9294942087588239,0.8959889658008361,0.7459992461106162
EOS-2-32330,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nc6c(F)cc(Cl)cc6s5)n34)cc2)c1,BBHXIAURROHRIO-UHFFFAOYSA-N,2,1,0.397,83,550,475.911,6.667,6,0.287,0.67,1.0,0.29780344047700635,0.5622986772668083,0.9215955040778562,0.9631793571379618,0.6862192447399081
EOS-2-32331,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)cn1,OCJXFRBSJCFTAN-UHFFFAOYSA-N,2,1,0.747,91,883,475.911,5.276,5,0.319,0.83,1.0,0.9733568638201631,0.9714635734356796,0.9167894592557055,0.8807227057775341,0.9355831505722706
EOS-2-32332,COc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)nc3)n12,LLZFWWZAORSXSH-UHFFFAOYSA-N,2,1,0.553,57,732,475.911,5.276,5,0.319,0.82,1.0,0.9462853813994928,0.963299294085395,0.8889812213008018,0.870767939140566,0.9173334589815639
EOS-2-32333,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccc(F)cc1,OFHKKRWGPKNHRX-UHFFFAOYSA-N,2,1,0.59,91,955,475.911,5.276,5,0.319,0.69,1.0,0.9710866287437462,0.957062572818861,0.9019429785484202,0.887661914879035,0.9294385237475156
EOS-2-32334,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1ccc(F)cc1,PBMPXGMEHOFSME-UHFFFAOYSA-N,2,1,0.614,91,955,475.911,5.276,5,0.298,0.77,1.0,0.9804074429442807,0.9678825988623124,0.9041361113014872,0.8820848468233843,0.9336277499828661
EOS-2-32335,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)ccc1=O,LBUAEYOUTRIPGD-UHFFFAOYSA-N,2,1,0.75,91,883,475.911,4.571,5,0.359,0.81,1.0,0.9065862517990542,0.8693800973202659,0.9041446782263038,0.8944383524090193,0.8936373449386608
EOS-2-32336,COc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,MSOKLENVSNVJSP-UHFFFAOYSA-N,2,1,0.671,91,732,475.911,5.276,5,0.319,0.85,0.999,0.9541583853060106,0.9229747789733397,0.8949952025221026,0.864299910903982,0.9091070694263587
EOS-2-32337,COc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)nc1,LKJKSWLSXONVCX-UHFFFAOYSA-N,2,1,0.704,91,485,475.911,5.276,5,0.319,0.81,1.0,0.9487869234459598,0.8961260365979028,0.9091820300185045,0.8764049756699335,0.9076249914330752
EOS-2-32338,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1cnc(C)nc1,WXXOHKCACZADBJ-UHFFFAOYSA-N,2,1,0.54,59,717,475.915,4.886,5,0.345,0.75,0.999,0.6909053526146255,0.7075423206085943,0.6710043862655062,0.6361370022616681,0.6763972654375985
EOS-2-32339,CCc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cn1,RWYLVIXDEPRCCK-UHFFFAOYSA-N,2,1,0.607,59,294,475.915,4.886,5,0.345,0.78,1.0,0.8187153039544925,0.8637002261668152,0.6336440271400178,0.612672195188815,0.7321829381125351
EOS-2-32340,Cn1nc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c2)nc1C1CC1,IQULUTHTPYKHNB-UHFFFAOYSA-N,2,1,0.5,43,521,475.915,4.836,6,0.349,0.64,1.0,0.5417894592557055,0.6539562058803372,0.28325680213830445,0.5031354944829004,0.49553449043931186
EOS-2-32341,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C6CNC6)c5)cc4)n23)ccc1Cl,DDPRYPCQKLXXEF-UHFFFAOYSA-N,2,1,0.679,43,96,475.915,4.171,6,0.397,0.69,1.0,0.6394609690905353,0.6342180111027346,0.7421184291686657,0.7825029127544376,0.6995750805290932
EOS-2-32342,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnn(C6CC6)c5)n4)n23)ccc1Cl,QRNNXEAMSMXGJL-UHFFFAOYSA-N,2,1,0.463,4,677,475.915,5.065,6,0.341,0.72,1.0,0.4403142348022754,0.6539647728051539,0.4733911315194298,0.6241176067438832,0.5479469364676856
EOS-2-32343,CCc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccc(Cl)cn1,WDJBVKLKNFIUHF-UHFFFAOYSA-N,2,1,0.458,18,161,475.915,4.62,5,0.339,0.65,1.0,0.7543691316565005,0.7919350969775889,0.5320745665136043,0.5595401274758413,0.6594797306558837
EOS-2-32344,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1F,YGCPMXBXDMYXBL-UHFFFAOYSA-N,2,1,0.495,16,253,475.915,4.886,5,0.345,0.64,1.0,0.8214738537454596,0.8274021657185937,0.6603214310191213,0.6388612843533685,0.7370146837091358
EOS-2-32345,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1F,HZFWBHJUYDLQAV-UHFFFAOYSA-N,2,1,0.489,16,253,475.915,4.886,5,0.323,0.65,1.0,0.8267939140566103,0.8414433554931122,0.6710129531903228,0.6388698512781852,0.7445300185045576
EOS-2-32346,CCc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cn1,UTKDJZQOKXSWHZ-UHFFFAOYSA-N,2,1,0.457,84,332,475.915,4.886,5,0.345,0.69,1.0,0.7029247481324103,0.8196833664587759,0.5880851209649784,0.5880080186416284,0.6746753135494483
EOS-2-32347,Cc1cc(C)nc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ccn2)n1,XVGLQBGPINRYKJ-UHFFFAOYSA-N,2,1,0.684,84,360,475.915,4.674,5,0.352,0.61,1.0,0.9167894592557055,0.8484082653690631,0.6162531697621821,0.5943304091563293,0.74394532588582
EOS-2-32348,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csc(Cl)n6)cn5)n34)o2)n1C,HUMVKKNDIHGLCF-UHFFFAOYSA-N,2,1,0.28,76,794,475.925,4.327,6,0.37,0.59,0.996,0.053637516277157155,0.18268967171544104,0.09763724213556302,0.13459495579466796,0.1171398464807073
EOS-2-32349,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)[nH]c(=N)n2)c1,QVOWBEVYVDZUOF-UHFFFAOYSA-N,2,1,0.436,35,438,475.925,3.264,5,0.383,0.58,1.0,0.5627013227331917,0.42688129668974023,0.3379309163182784,0.3964258789664862,0.4309848536769242
EOS-2-32350,Clc1cccc(-c2cccc(-c3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)c2)n1,QOYKOWGDGZMDQI-UHFFFAOYSA-N,2,1,0.375,17,403,475.939,6.966,6,0.252,0.87,1.0,0.41959084367075594,0.4709324240970461,0.9051812761291207,0.9223922280858063,0.6795241929956823
EOS-2-32351,Clc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cn1,BWKSIMBKXSJYQD-UHFFFAOYSA-N,2,1,0.379,17,960,475.939,6.966,6,0.269,0.8,1.0,0.42670139126859025,0.5388338701939552,0.914844767322322,0.9340004112123912,0.7035951099993147
EOS-2-32352,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1OC,RRRSIEYIBYFHAR-UHFFFAOYSA-N,2,1,0.485,26,619,475.94,4.353,5,0.329,0.69,1.0,0.5852409019258447,0.4798163251319306,0.5490542115002399,0.4472277431293263,0.5153347954218354
EOS-2-32353,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1nc(C)nn1C,LYRQKHANXAEMIF-UHFFFAOYSA-N,2,1,0.684,91,309,475.94,4.179,5,0.348,0.83,1.0,0.6334641217188678,0.5668220135700089,0.38326708244808444,0.3357977520389281,0.4798377424439723
EOS-2-32354,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1OC,HSZLCOQREJEWRG-UHFFFAOYSA-N,2,1,0.495,26,669,475.94,4.353,5,0.308,0.73,1.0,0.5684754300596258,0.47094099102186276,0.5523953121787403,0.4345572613254746,0.5065922486464258
EOS-2-32355,COCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cn1,NAPNHJYFLQEHCZ-UHFFFAOYSA-N,2,1,0.528,15,519,475.94,3.971,5,0.298,0.74,1.0,0.4683623466520458,0.48394558289356454,0.4837485436227812,0.45020046604071,0.47156423480227533
EOS-2-32356,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnc(C)n1C,UHKHFRBIBGXJRI-UHFFFAOYSA-N,2,1,0.522,15,669,475.94,4.179,5,0.326,0.65,1.0,0.6636539647728051,0.5297529298882873,0.5116081831265848,0.38086834349941745,0.5214708553217736
EOS-2-32357,COc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1cnc(C)n1C,OJFPAYGRQGHYIR-UHFFFAOYSA-N,2,1,0.527,35,982,475.94,4.179,5,0.348,0.67,1.0,0.6334726886436844,0.5297614968131039,0.5354328010417381,0.4153502158865054,0.5285043005962579
EOS-2-32358,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2OC)cn1,YNONIEDQMDUWLB-UHFFFAOYSA-N,2,1,0.521,15,771,475.94,4.353,5,0.329,0.6,1.0,0.4982951819614831,0.5388424371187719,0.48745802206839833,0.39643444589130283,0.48025752175998904
EOS-2-32359,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nc6)cn5)n34)cc2)cn1,JSOVRYQLQUPGBW-UHFFFAOYSA-N,2,1,0.354,69,818,475.943,5.939,6,0.293,0.82,1.0,0.22749468850661367,0.3609502433006648,0.847585840586663,0.8455297786306627,0.570390137756151
EOS-2-32360,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(Cl)n6)cc5)n34)cc2)n1,SETBWHMMCUFMTK-UHFFFAOYSA-N,2,1,0.36,69,898,475.943,5.939,6,0.314,0.73,1.0,0.21352203413062848,0.3269652525529436,0.7839592899732712,0.7941196628058392,0.5296415598656706
EOS-2-32361,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(Cl)cn6)cc5)n34)cc2)cn1,GIQJKVMENUSETR-UHFFFAOYSA-N,2,1,0.362,69,645,475.943,5.939,6,0.314,0.78,1.0,0.2245819340689466,0.3562384346514975,0.8347097525872113,0.8338616270303612,0.5623479370845041
EOS-2-32362,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nc6)cc5)n34)cc2)nn1,SZJFFBDZBYCFTG-UHFFFAOYSA-N,2,1,0.329,69,958,475.943,5.939,6,0.293,0.8,1.0,0.2217634158042629,0.35130388595709683,0.8256973476800767,0.8399441436501953,0.559677198272908
EOS-2-32363,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)cn4)n23)c(-c2ccccn2)n1,BGTRTJBUUOOQGM-UHFFFAOYSA-N,2,1,0.346,32,93,475.943,5.939,6,0.314,0.65,1.0,0.21913336988554588,0.3609588102254815,0.6739257076279899,0.7478154341717497,0.5004583304776917
EOS-2-32364,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c(Cl)c2)nn1,SCTAJANNKQBERF-UHFFFAOYSA-N,2,1,0.365,93,107,475.943,5.939,6,0.314,0.82,1.0,0.31069666232609144,0.44892399424302654,0.7839678568980879,0.8379223493934618,0.595377715715167
EOS-2-32365,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)n(C(C)C)n1,YROZCGBHGUYSNK-UHFFFAOYSA-N,2,1,0.451,58,954,475.944,4.004,5,0.325,0.69,1.0,0.4355938592282914,0.4752501542046467,0.07234768007675965,0.06115070934137482,0.26108560071276815
EOS-2-32366,Cn1nc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)cc1-c1cnc(CF)s1,BNFWOPBHLWLRAP-UHFFFAOYSA-N,2,1,0.42,31,569,475.962,4.454,5,0.345,0.51,0.984,0.31846686313480915,0.2764803646083202,0.1486532794188198,0.21794256733602907,0.24038576862449457
EOS-2-32367,Clc1ccc2sc(COc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nc2c1,YWBQCFIGDJLMDW-UHFFFAOYSA-N,2,1,0.511,41,25,475.986,6.362,6,0.29,0.79,1.0,0.7572733191693509,0.844801590021246,0.6792971694880405,0.7708347611541361,0.7630517099581934
EOS-2-32368,Cn1nc(-c2cncs2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,MVJKAVNGAFTWLV-UHFFFAOYSA-N,2,1,0.577,4,32,423.889,3.881,5,0.426,0.67,1.0,0.5765711740113769,0.7533839353025837,0.3718645055170996,0.43129326297032416,0.5332782194503461
EOS-2-32369,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)nc1,HMWMTSWMXCVOTC-UHFFFAOYSA-N,2,1,0.422,46,122,423.889,3.881,5,0.426,0.66,1.0,0.5083270509218011,0.48857172229456514,0.44527448427112604,0.44060551024604205,0.47069469193338354
EOS-2-32370,Cn1nc(-c2nnc3cncc(OCc4cncs4)n23)cc1-c1ccc(Cl)cc1,FZJZUHBVQATFEB-UHFFFAOYSA-N,2,1,0.506,95,965,423.889,3.881,5,0.426,0.71,1.0,0.39100301555753547,0.43146460146665755,0.36053046398464805,0.44061407717085876,0.4059030395449249
EOS-2-32371,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)n1,OOJOBFLDOJERJX-UHFFFAOYSA-N,2,1,0.53,24,486,423.889,3.881,5,0.426,0.7,1.0,0.39550065108628607,0.49815811116441644,0.40506133918168735,0.4055582208210541,0.426069580563361
EOS-2-32372,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cn4)n23)s1,MGYDQBOFCJBSTH-UHFFFAOYSA-N,2,1,0.423,87,954,423.889,3.913,5,0.445,0.66,0.999,0.6727520389281064,0.7212751010897128,0.4304280035638407,0.48116989925296416,0.576406260708656
EOS-2-32373,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2Cl)cn1,PJJHVENYHWUVAO-UHFFFAOYSA-N,2,1,0.538,16,256,423.889,3.881,5,0.426,0.72,1.0,0.5239702556370365,0.5712682475498595,0.5589147419642245,0.5565245699403742,0.5526694537728736
EOS-2-32374,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)s1,MYQQZBUKTDCSIX-UHFFFAOYSA-N,2,1,0.469,87,954,423.889,3.913,5,0.445,0.7,1.0,0.6880097320265918,0.8274107326434104,0.43813823589884177,0.47808580631896375,0.6079111267219519
EOS-2-32375,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)cn1,ZIAVOGRAWXHWFY-UHFFFAOYSA-N,2,1,0.477,92,860,423.889,3.881,5,0.426,0.73,1.0,0.39326468370913575,0.5577239394147077,0.47339969844424645,0.4597097525872113,0.4710245185388253
EOS-2-32376,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5nnc[nH]5)c4)n23)s1,OFAAZKAEMHSIIK-UHFFFAOYSA-N,2,1,0.5,15,561,423.889,3.913,5,0.445,0.63,1.0,0.8030463984648071,0.7489976697964499,0.4118720444109383,0.47512165033239667,0.609759440751148
EOS-2-32377,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)cn2)c1,JPXCRNXDONXLKA-UHFFFAOYSA-N,2,1,0.477,55,823,423.889,3.881,5,0.426,0.7,1.0,0.6222585840586663,0.6202196559522993,0.4734082653690631,0.4534301966965938,0.5423291755191556
EOS-2-32378,Clc1sccc1CCOc1cncc2nnc(-c3ccc(-c4c[nH]cn4)nc3)n12,LGDKTCKSHQUQIS-UHFFFAOYSA-N,2,1,0.5,65,981,423.889,3.913,5,0.445,0.58,1.0,0.6571259680625042,0.707550887533411,0.42334315674045647,0.45971831951202796,0.5619345829620999
EOS-2-32379,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,IBGXMWBTMGWAIB-UHFFFAOYSA-N,2,1,0.53,36,931,423.889,3.881,5,0.426,0.7,1.0,0.4497549859502433,0.4981666780892331,0.3642827770543486,0.39644301281611954,0.42716186347748614
EOS-2-32380,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1Cl,PCDTWCDHDRXNPT-UHFFFAOYSA-N,2,1,0.524,16,256,423.889,3.881,5,0.426,0.66,1.0,0.5627098896580084,0.5485316290864232,0.5044119662805839,0.5230193269823864,0.5346682030018505
EOS-2-32381,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ns4)n23)cc1,PPVOGQKXZBQMEE-UHFFFAOYSA-N,2,1,0.556,16,55,423.889,3.881,5,0.426,0.64,1.0,0.5940991021862793,0.5485401960112398,0.42688986361455694,0.4374443149886917,0.5017433692001919
EOS-2-32382,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cn[nH]c5)c4)n23)s1,HIHDIXLYRAQGOP-UHFFFAOYSA-N,2,1,0.5,75,819,423.889,3.913,5,0.445,0.64,1.0,0.7184051812761291,0.7490062367212665,0.4525649372901103,0.4901908710849154,0.6025418065931053
EOS-2-32383,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)n1,WPZDZMYEMSHWNL-UHFFFAOYSA-N,2,1,0.477,92,875,423.889,3.881,5,0.426,0.7,1.0,0.3889126859022685,0.5072561853197176,0.46296518401754505,0.4564714550065109,0.4539013775615105
EOS-2-32384,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cn1,GPOXCSQIQKIPOD-UHFFFAOYSA-N,2,1,0.477,55,510,423.889,3.881,5,0.426,0.72,1.0,0.5417980261805222,0.6106589678568981,0.3379394832430951,0.3516979644986636,0.46052361044479473
EOS-2-32385,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cc[nH]n5)c4)n23)s1,HSRASPYJGDKCIO-UHFFFAOYSA-N,2,1,0.457,87,227,423.889,3.913,5,0.445,0.6,1.0,0.6937838393530258,0.7259183743403468,0.4268984305393736,0.4751302172572133,0.5804327153724899
EOS-2-32386,Cc1cc(-c2nnc3cncc(OCc4ncn(-c5ccsc5)n4)n23)ccc1Cl,QMNJFLRRNODBDM-UHFFFAOYSA-N,2,1,0.483,36,975,423.889,3.974,5,0.425,0.69,1.0,0.41272873689260503,0.5435628126927559,0.3758138578575834,0.4282263038859571,0.44008292783222536
EOS-2-32387,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)cc1,VFQTWVBTNSPTIX-UHFFFAOYSA-N,2,1,0.55,16,475,423.889,3.881,5,0.426,0.66,1.0,0.5391765471866219,0.52532382975807,0.5116167500514015,0.5197981632513193,0.5239788225618531
EOS-2-32388,Cn1ncc(-c2nnc3cncc(OCc4cccs4)n23)c1-c1ccc(Cl)cn1,ISLBJCTWHLDFSY-UHFFFAOYSA-N,2,1,0.612,92,128,423.889,3.881,5,0.426,0.62,1.0,0.4290487286683572,0.5113169076828181,0.2832653690631211,0.35805462271263105,0.3954214070317319
EOS-2-32389,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cs2)cn1,FYTYBIQILJWLEZ-UHFFFAOYSA-N,2,1,0.562,4,32,423.889,3.881,5,0.426,0.77,1.0,0.44032280172709204,0.6780035638407237,0.3531286409430471,0.402568364060037,0.46850584264272493
EOS-2-32390,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,BFUZXQZLDCREPK-UHFFFAOYSA-N,2,1,0.471,2,227,423.889,3.881,5,0.426,0.75,1.0,0.48840895072304846,0.49817524501404975,0.5082071139743678,0.4994517168117333,0.4985607566307998
EOS-2-32391,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccc2Cl)n1,BWIKSIOPNFEGMR-UHFFFAOYSA-N,2,1,0.537,16,256,423.889,3.881,5,0.426,0.6,1.0,0.5365550681927216,0.6780121307655405,0.45937564251936125,0.4872010143238983,0.5402859639503804
EOS-2-32392,Cn1cnc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)c1,AUKNNTIISFQKFV-UHFFFAOYSA-N,2,1,0.471,2,227,423.889,3.881,5,0.426,0.65,1.0,0.4808614899595641,0.5297700637379207,0.48042457679391404,0.47513878418203004,0.49154872866835725
EOS-2-32393,Cn1nc(-c2cccs2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,SSKIHGQZQQOCHL-UHFFFAOYSA-N,2,1,0.57,36,32,423.889,3.881,5,0.426,0.78,0.999,0.6999348913713933,0.8236498526488931,0.12748440819683365,0.23857172229456514,0.47241021862792126
EOS-2-32394,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)c1,CCLOQHHLPPEXJH-UHFFFAOYSA-N,2,1,0.477,55,823,423.889,3.881,5,0.426,0.75,1.0,0.5598228359947913,0.6436844630251525,0.41564149133027206,0.41535878281132205,0.5086268932903845
EOS-2-32395,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)sn1,HJEHIIYOGJZDLD-UHFFFAOYSA-N,2,1,0.608,16,32,423.889,3.881,5,0.426,0.7,1.0,0.7246162017682133,0.7490148036460832,0.38699369474333495,0.45343876362141045,0.5785158659447605
EOS-2-32396,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)c1,RJCVSGUFNBKNKE-UHFFFAOYSA-N,2,1,0.524,7,486,423.889,3.881,5,0.426,0.71,1.0,0.5058169419505174,0.5577325063395243,0.42690699746419025,0.42491947090672333,0.4788439791652388
EOS-2-32397,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)nc1,PQEZENTVSBVSSV-UHFFFAOYSA-N,2,1,0.438,46,122,423.889,3.881,5,0.426,0.69,1.0,0.4127373038174217,0.4752587211294634,0.4156500582550888,0.4153673497361387,0.42975335823452815
EOS-2-32398,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2)n1,SVJGSAPOCHGCHB-UHFFFAOYSA-N,2,1,0.557,36,320,423.889,3.881,5,0.426,0.71,1.0,0.5793639915016106,0.6292920293331505,0.3870022616681516,0.3934617229799191,0.49728000137070794
EOS-2-32399,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)c2)n1,WPCPROWGUWLCGV-UHFFFAOYSA-N,2,1,0.453,2,36,423.889,3.881,5,0.426,0.66,1.0,0.43116475909807417,0.4839541498183812,0.5188815022959359,0.4964104585018162,0.4826027174285519
EOS-2-32400,Clc1sccc1CCOc1cncc2nnc(-c3coc(-c4cccnc4)c3)n12,KMRMKTKUODVVAM-UHFFFAOYSA-N,2,1,0.506,65,76,423.885,4.783,5,0.391,0.58,1.0,0.5365636351175382,0.5623072441916249,0.6305342334315674,0.6587793845521211,0.5970461243232129
EOS-2-32401,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccco5)cn4)n23)s1,XQQGXBVUYLPPGQ-UHFFFAOYSA-N,2,1,0.483,58,954,423.885,4.783,5,0.391,0.77,0.998,0.7456565691179494,0.6975875539716263,0.5082156808991845,0.562898362003975,0.6285895414981838
EOS-2-32402,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccno5)cc4)n23)s1,GTOCHCUYUCGDSX-UHFFFAOYSA-N,2,1,0.6,15,922,423.885,4.783,5,0.391,0.74,1.0,0.8987046809677198,0.8662703036118155,0.610247755465698,0.6417826057158522,0.7542513364402713
EOS-2-32403,Clc1sccc1CCOc1cncc2nnc(-c3cnccc3-c3ccoc3)n12,ZZYYTMPPQSBLAU-UHFFFAOYSA-N,2,1,0.568,65,496,423.885,4.783,5,0.391,0.55,1.0,0.5655541086971421,0.5207490919059694,0.6277756836406003,0.6764015489000068,0.5976201082859296
EOS-2-32404,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)s2)nn1,SMKVUGVFDCJTTQ-UHFFFAOYSA-N,2,1,0.391,22,844,423.864,4.473,5,0.425,0.74,1.0,0.3844750188472346,0.5819597697210609,0.5218542252073196,0.647539579192653,0.5339571482420671
EOS-2-32405,Clc1ncc(-c2ccc(-c3nnc4cncc(OCC5CCOCC5)n34)cn2)cn1,DXLOHBLWOGAADS-UHFFFAOYSA-N,2,1,0.46,78,548,423.864,3.102,5,0.451,0.78,1.0,0.4544325269001439,0.5113254746076349,0.05434857103694058,0.19205332054005894,0.3030399732711946
EOS-2-32406,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(F)cc(Cl)c5)n34)cn2)s1,QQMYNRIFRSEDIP-UHFFFAOYSA-N,2,1,0.37,22,844,423.864,4.473,5,0.425,0.74,1.0,0.19417791789459254,0.40401617435405385,0.4906791857994654,0.6329501062298677,0.4304558460694949
EOS-2-32407,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)s1,SYZQQYUAAONQFC-UHFFFAOYSA-N,2,1,0.402,22,844,423.864,4.473,5,0.425,0.8,1.0,0.22750325543143032,0.5435713796175725,0.5009594955794668,0.6361455691864848,0.4770449249537386
EOS-2-32408,N=c1ccc(-c2nc(-c3cncc4nnc(-c5cccc(Cl)c5F)n34)cs2)c[nH]1,IUWSHMPBZCYPNP-UHFFFAOYSA-N,2,1,0.317,45,140,423.864,4.182,5,0.455,0.72,1.0,0.15815399904050442,0.3269738194777603,0.6900315262833253,0.7528613528887671,0.4820051744225893
EOS-2-32409,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cc1Cl,KTSVSORTACXDEM-UHFFFAOYSA-N,2,1,0.714,13,15,423.86,5.5,5,0.382,0.72,1.0,0.9301195942704407,0.9266242889452402,0.9204989377013227,0.9330751833321911,0.9275795010622987
EOS-2-32410,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,ZXYINKDZIUYZFK-UHFFFAOYSA-N,2,1,0.506,13,110,423.86,5.5,5,0.382,0.78,1.0,0.7572818860941677,0.7665598656706188,0.8950037694469193,0.9134483585772051,0.8330734699472278
EOS-2-32411,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c(Cl)c1,QCRMVCOHMNKOAR-UHFFFAOYSA-N,2,1,0.506,13,110,423.86,5.5,5,0.382,0.77,1.0,0.7543776985813172,0.7533925022274005,0.895012336371736,0.9147762319237887,0.8293896922760606
EOS-2-32412,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nncs5)nc4)n23)nn1,JGMGZSLZMDDAAC-UHFFFAOYSA-N,2,1,0.455,53,617,423.849,2.727,5,0.42,0.75,1.0,0.47082962099924613,0.6487646494414365,0.11926872729764923,0.1593790692892879,0.3495605167569049
EOS-2-32413,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)nc1,ZJIBNXJDEWWWBJ-UHFFFAOYSA-N,2,1,0.43,51,196,423.849,2.727,5,0.42,0.68,1.0,0.4447947364813926,0.5207576588307861,0.1165101775066822,0.1621204852306216,0.31104576451237065
EOS-2-32414,Clc1ccnc(COc2cncc3nnc(-c4cncc(-c5nncs5)c4)n23)n1,OKOMIDMFJDMAPR-UHFFFAOYSA-N,2,1,0.398,51,875,423.849,2.727,5,0.393,0.68,1.0,0.44272154067575903,0.5388510040435885,0.12224145020903296,0.16723493934617228,0.3177622335686382
EOS-2-32415,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)n(C)n2)n(C)n1,WHUPIUGAZKHECV-UHFFFAOYSA-N,2,1,0.367,22,844,423.843,3.088,5,0.443,0.65,1.0,0.24130457131108218,0.33644883832499484,0.19358680008224247,0.30432287026249055,0.2689157699952025
EOS-2-32416,Cc1cc(-c2nnc3cncc(OCc4nc(OC(F)F)cs4)n23)ccc1Cl,IGSZBSMNIMLXOD-UHFFFAOYSA-N,2,1,0.541,90,255,423.832,4.39,4,0.458,0.74,1.0,0.8214824206702762,0.8883387019395518,0.8365259406483448,0.8138664245082585,0.8400533719416079
EOS-2-32417,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)nn2C)n1,ZPMKSBQDUPCPRO-UHFFFAOYSA-N,2,1,0.418,31,105,423.828,1.343,5,0.385,0.69,0.998,0.18017956274415736,0.26072578987046807,0.01813617983688575,0.01591734630936879,0.11873971969022
EOS-2-32418,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)no2)n1C,MMJBGUVZDPOTML-UHFFFAOYSA-N,2,1,0.471,92,185,423.824,2.511,5,0.392,0.6,1.0,0.3612672195188815,0.48396271674319785,0.04535329997943938,0.06577684874237544,0.23909002124597356
EOS-2-32419,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)o1,ADCOIPZXGQJSQX-UHFFFAOYSA-N,2,1,0.549,36,404,423.824,2.511,5,0.419,0.69,0.997,0.5852494688506613,0.7122798300322116,0.0157545747378521,0.036058186553354805,0.33733551504352
EOS-2-32420,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)cn1,QERKAUHEJLZPEV-UHFFFAOYSA-N,2,1,0.495,31,510,423.824,2.245,5,0.404,0.75,1.0,0.5365722020423549,0.5766311424850935,0.07443800973202659,0.11490816256596532,0.32563737920636004
EOS-2-32421,Cc1c(-c2nnc(COc3cncc4nnc(-c5ccccc5Cl)n34)o2)nnn1C,AJYGIEJKIBOIPU-UHFFFAOYSA-N,2,1,0.523,36,404,423.824,2.511,5,0.419,0.71,1.0,0.3158967856898088,0.4981838119388664,0.016474196422452198,0.04076142827770544,0.2178290555822082
EOS-2-32422,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4O)n23)n(C)n1,AIUJTOAAQNEYAU-UHFFFAOYSA-N,2,1,0.379,36,292,423.824,2.472,5,0.468,0.6,0.994,0.44976355287506,0.5712768144746762,0.12749297512165034,0.1621290521554383,0.3276655986567062
EOS-2-32423,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)o2)n1C,MAFZETDUBRLLCJ-UHFFFAOYSA-N,2,1,0.4,53,105,423.824,2.511,5,0.419,0.6,1.0,0.29519909533273936,0.21492700980056198,0.03655506819272154,0.04857446371050648,0.14881390925913235
EOS-2-32424,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)no2)n1C,WOYFQQQQJYPSMW-UHFFFAOYSA-N,2,1,0.424,92,105,423.824,2.511,5,0.419,0.7,1.0,0.3428311973134124,0.4133712562538551,0.033925022274004527,0.055179562744157355,0.21132675964635736
EOS-2-32425,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)cn2)o1,VJHKZEFMWDHTDS-UHFFFAOYSA-N,2,1,0.5,58,954,423.82,3.413,5,0.404,0.69,0.998,0.6790315948187239,0.7028390788842437,0.18684463025152492,0.20337022822287712,0.4430213830443424
EOS-2-32426,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cc(Cl)c(F)cc4F)n23)c1,VNKWDNNLLUQLMT-UHFFFAOYSA-N,2,1,0.354,45,252,423.814,4.185,5,0.407,0.8,1.0,0.29781200740182306,0.45783359605236107,0.8631433760537317,0.9022513878418204,0.630260091837434
EOS-2-32427,Cn1nc(-c2ccc(F)c(F)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,JCRODBRXJVZABJ-UHFFFAOYSA-N,2,1,0.441,45,316,423.814,4.185,5,0.435,0.79,1.0,0.295207662257556,0.5964807072853129,0.7240079501062299,0.8527002947022136,0.6170991535878281
EOS-2-32428,Cn1nc(-c2cc(F)cc(Cl)c2)nc1-c1cncc2nnc(-c3ccc(F)cc3)n12,MRLFPVFSRDTHJS-UHFFFAOYSA-N,2,1,0.441,22,316,423.814,4.185,5,0.435,0.79,1.0,0.23010760057569735,0.4981923788636831,0.6820899869782743,0.8317712973750943,0.5605403159481872
EOS-2-32429,Cn1cc(-c2nnc3cncc(-c4cccc(Cl)c4)n23)c(-c2cc(F)c(F)cn2)n1,QZUNTZKDGJVYKV-UHFFFAOYSA-N,2,1,0.372,45,575,423.814,4.185,5,0.435,0.78,1.0,0.12789562058803372,0.3072698923994243,0.792192104722089,0.8764135425947502,0.5259427900760744
EOS-2-32430,Cn1nc(-c2nnc3cncc(-c4cnc(Cl)c(F)c4)n23)cc1-c1ccc(F)cc1,VNCZBRYOPUWLDL-UHFFFAOYSA-N,2,1,0.351,45,46,423.814,4.185,5,0.407,0.73,0.706,0.13631690768281818,0.3657048865739154,0.834718319512028,0.8903861969707354,0.5567815776848742
EOS-2-32431,Cn1cc(-c2cncc3nnc(-c4ccc(F)cc4)n23)c(-c2ncc(Cl)cc2F)n1,IWMCBUWOEKEIMB-UHFFFAOYSA-N,2,1,0.425,45,844,423.814,4.185,5,0.435,0.75,1.0,0.24660749777259955,0.5159430470838188,0.7656003700911521,0.8558357891851142,0.5959966760331711
EOS-2-32432,FC(F)n1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)n1,IRSRNWXGLIWHHK-UHFFFAOYSA-N,2,1,0.355,96,315,423.814,4.765,5,0.416,0.76,1.0,0.11136145569186484,0.34142622164347886,0.878066959084367,0.9032965526694537,0.5585377972722911
EOS-2-32433,FC(F)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,OMCCGZGNKJQOJU-UHFFFAOYSA-N,2,1,0.364,22,331,423.814,4.63,5,0.421,0.74,1.0,0.0892330888904119,0.40853951065725447,0.9073572750325544,0.9315588376396409,0.5841721780549654
EOS-2-32434,Cc1onc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3ccc(F)c(Cl)c3)n12,SCLWJOHACQFDGO-UHFFFAOYSA-N,2,1,0.38,45,102,423.81,5.353,5,0.391,0.83,1.0,0.3358405866630114,0.5025358097457336,0.8974967445685696,0.9432783907888425,0.6697878829415393
EOS-2-32435,FC(F)c1ccc(-c2nnc3cncc(-c4cc(Cl)cc(-c5ccoc5)c4)n23)cn1,KFPBYBULJVURET-UHFFFAOYSA-N,2,1,0.392,96,478,423.81,5.704,5,0.37,0.76,0.96,0.27308786238091975,0.4314731683914742,0.9703498732095127,0.9715920773079295,0.6616257453224591
EOS-2-32436,Cc1onc(-c2ccc(F)cc2F)c1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,PNDKPPRRCRABDQ-UHFFFAOYSA-N,2,1,0.441,45,533,423.81,5.353,5,0.391,0.84,1.0,0.4082054005894044,0.6342265780275512,0.9030395449249538,0.944914673428826,0.7225965492426838
EOS-2-32437,Cc1cc(-c2nnc3cncc(-c4cc(-c5ccc(F)cc5F)no4)n23)ccc1Cl,VNGVJDCURLFBFU-UHFFFAOYSA-N,2,1,0.368,45,46,423.81,5.353,5,0.391,0.75,1.0,0.3727897333972997,0.6106675347817148,0.9554605578781441,0.9693989445548626,0.7270791926530054
EOS-2-32438,Fc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1nc[nH]n1,UIXKDEBDSIBLHC-UHFFFAOYSA-N,2,1,0.406,46,223,423.799,2.738,5,0.428,0.6,1.0,0.5684839969844425,0.5668305804948256,0.31970906723322595,0.37780995133986706,0.4582083990130903
EOS-2-32439,Fc1cnnc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,SPIIEKPTEUTNPY-UHFFFAOYSA-N,2,1,0.536,36,975,423.799,2.534,5,0.424,0.67,1.0,0.4427301076005757,0.6829552463847577,0.27178568980878626,0.4122489891028716,0.4524300082242478
EOS-2-32440,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)nc1Cl,DDLCCXDOFLBSDP-UHFFFAOYSA-N,2,1,0.466,47,379,423.799,2.738,5,0.428,0.62,1.0,0.684934206017408,0.6487732163662532,0.4156586251799054,0.4597268864368446,0.5522732335001028
EOS-2-32441,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nc3)n12,KJYUEYUWGUUYSI-UHFFFAOYSA-N,2,1,0.518,16,6,423.799,2.738,5,0.428,0.73,1.0,0.7778425056541703,0.7919436639024056,0.5756630799808101,0.6126807621136316,0.6895325029127544
EOS-2-32442,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncn(-c4ccncn4)n3)n12,QCICJVPPSXZQTR-UHFFFAOYSA-N,2,1,0.523,73,975,423.799,2.534,5,0.424,0.69,0.997,0.3590483859913645,0.5964892742101295,0.3197176341580426,0.4185114111438558,0.42344167637584806
EOS-2-32443,Fc1cnc(-n2cnnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,WLLFPESZTHCUHV-UHFFFAOYSA-N,2,1,0.556,73,446,423.799,2.534,5,0.424,0.64,1.0,0.6334812555685011,0.7028476458090603,0.19703927078335962,0.3358063189637448,0.4672936227811665
EOS-2-32444,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1Cl,IEGHSCQEIMJIBU-UHFFFAOYSA-N,2,1,0.53,47,499,423.799,2.738,5,0.458,0.71,1.0,0.7119885545884449,0.6879583304776917,0.5621701733945583,0.5943389760811459,0.6391140086354603
EOS-2-32445,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1Cl,GADYXCBGVAKWJT-UHFFFAOYSA-N,2,1,0.462,73,469,423.799,2.738,5,0.458,0.57,1.0,0.6451751079432527,0.6731461174696731,0.4665204578164622,0.49019943800973204,0.56876028030978
EOS-2-32446,Fc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1nn[nH]n1,IMMIMOYNPYAYGY-UHFFFAOYSA-N,2,1,0.578,47,6,423.799,2.738,5,0.458,0.67,1.0,0.648207799328353,0.744714207388116,0.5218627921321363,0.5971660612706463,0.627987715029813
EOS-2-32447,Fc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1nn[nH]n1,PDIRUNHAODFAEH-UHFFFAOYSA-N,2,1,0.535,4,6,423.799,2.738,5,0.428,0.75,1.0,0.7184137482009458,0.7401052018367487,0.48043314371873075,0.54985093550819,0.6222007573161539
EOS-2-32448,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4)n23)cc1Cl,CHAQFQOJFSQUBE-UHFFFAOYSA-N,2,1,0.641,59,294,423.799,2.738,5,0.458,0.78,1.0,0.777851072578987,0.7919522308272222,0.5690065793982592,0.6241261736686999,0.690734014118292
EOS-2-32449,Fc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1nc[nH]n1,UWKHLUUOEWMUNS-UHFFFAOYSA-N,2,1,0.415,46,223,423.799,2.738,5,0.428,0.57,0.999,0.6968079638133096,0.620228222877116,0.405069906106504,0.4406226440956754,0.5406821842231513
EOS-2-32450,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1nn[nH]n1,FHDDXTFVBMTOPT-UHFFFAOYSA-N,2,1,0.542,47,6,423.799,2.738,5,0.428,0.79,1.0,0.857052292509081,0.791960797752039,0.572570420121993,0.6155592488520321,0.7092856898087863
EOS-2-32451,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1Cl,DLCJZJSDTCRLRX-UHFFFAOYSA-N,2,1,0.465,47,19,423.799,2.738,5,0.428,0.64,1.0,0.8290727160578438,0.697596120896443,0.36053903090946476,0.3934702899047358,0.5701695394421218
EOS-2-32452,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cn2)n1,BHWGPUKOURRXFA-UHFFFAOYSA-N,2,1,0.608,13,649,423.799,2.962,5,0.434,0.78,1.0,0.5739154273182099,0.6245802206839832,0.37187307244191625,0.4658865053800288,0.5090638064560346
EOS-2-32453,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cncn4)nn3)n12,JYZNZWRVASZUOU-UHFFFAOYSA-N,2,1,0.529,36,29,423.799,2.534,5,0.424,0.66,1.0,0.45218799259817694,0.6487817832910698,0.40855664450688783,0.4902080049345487,0.4999336063326708
EOS-2-32454,Fc1cccc(-n2nnnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,VPDZEOZTSBJNFY-UHFFFAOYSA-N,2,1,0.548,34,612,423.799,2.534,5,0.397,0.79,1.0,0.5881964909875951,0.8118874648756083,0.19016003015557537,0.3680436570488657,0.4895719107669111
EOS-2-32455,Fc1cc(-c2nnc3cncc(OCc4cnn(-c5ncccn5)n4)n23)ccc1Cl,OSSDISJZIUHQER-UHFFFAOYSA-N,2,1,0.523,73,391,423.799,2.534,5,0.424,0.63,1.0,0.43813823589884177,0.6245887876088,0.23959975327256527,0.34195737098211226,0.41107103694057984
EOS-2-32456,Fc1ccc(-c2nnc3cncc(OCc4nnn(-c5ccc(Cl)cc5)n4)n23)nc1,VKFJZXOJUVPICP-UHFFFAOYSA-N,2,1,0.385,34,612,423.799,2.534,5,0.424,0.64,1.0,0.2569906106504009,0.38026009183743403,0.2006630799808101,0.35806318963744777,0.2989942430265232
EOS-2-32457,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nc[nH]n1,SLYRLLZCADDOFS-UHFFFAOYSA-N,2,1,0.462,47,164,423.799,2.738,5,0.458,0.59,1.0,0.7062144472620109,0.7306387499143308,0.4381468028236584,0.4811784661777808,0.5890446165444452
EOS-2-32458,Cn1nnnc1-c1cc(Cl)nc(Oc2cncc3nnc(-c4cccc(F)c4)n23)c1,ONKCGEOYGMNGPM-UHFFFAOYSA-N,2,1,0.471,36,941,423.799,2.962,5,0.406,0.76,1.0,0.4544410938249606,0.5964978411349462,0.3159995887876088,0.4313018298951408,0.4495600884106641
EOS-2-32459,Cn1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)n1,CQKZCYWJOABIPF-UHFFFAOYSA-N,2,1,0.506,36,649,423.799,2.962,5,0.434,0.75,1.0,0.5655626756219587,0.787625933794805,0.3795747378521006,0.4628024124460284,0.5488914399287232
EOS-2-32460,Fc1cncc(-c2noc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,HOTPHJQFXPWVAN-UHFFFAOYSA-N,2,1,0.562,73,539,423.795,3.608,5,0.422,0.77,1.0,0.7863408950723049,0.8662788705366322,0.4665290247412789,0.5880165855664451,0.6767913439791653
EOS-2-32461,Fc1cc(Cl)cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)c1,HLSFGXVFIHGCAX-UHFFFAOYSA-N,2,1,0.716,4,712,423.795,3.608,5,0.422,0.66,1.0,0.5468353779727229,0.6829638133095743,0.6517031046535535,0.6825011993694743,0.6410008738263313
EOS-2-32462,Fc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1nnco1,GEQXZILSEVAULJ-UHFFFAOYSA-N,2,1,0.585,4,712,423.795,3.608,5,0.422,0.72,1.0,0.702933315057227,0.7259269412651634,0.6710215201151395,0.7021965595229936,0.7005195839901309
EOS-2-32463,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4cnco4)cn3)n12,RZLZHMHFPYMVTR-UHFFFAOYSA-N,2,1,0.536,73,401,423.795,3.608,5,0.422,0.66,1.0,0.7889966417654719,0.8936501953258859,0.6336525940648345,0.6675604824892056,0.7459649784113496
EOS-2-32464,Fc1cc(-c2noc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccn1,KHCJXXISMVWCMQ-UHFFFAOYSA-N,2,1,0.556,4,539,423.795,3.608,5,0.395,0.77,1.0,0.7974693304091564,0.8513809882804468,0.487466588993215,0.582062572818861,0.6795948701254197
EOS-2-32465,Fc1cc(-c2ncco2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,DUEVNZSMDGXQGQ-UHFFFAOYSA-N,2,1,0.453,73,196,423.795,3.608,5,0.422,0.69,1.0,0.8290812829826606,0.7746984442464533,0.5218713590569529,0.5498595024330066,0.6688776471797684
EOS-2-32466,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnco5)cn4)n23)cc1Cl,VXKSWUUKAVKJPX-UHFFFAOYSA-N,2,1,0.542,73,401,423.795,3.608,5,0.422,0.72,1.0,0.859348228359948,0.8662874374614489,0.6766842574189569,0.6909824549379755,0.7733255945445823
EOS-2-32467,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)cc1Cl,CWOUUXRJAPVFAY-UHFFFAOYSA-N,2,1,0.595,54,294,423.795,3.608,5,0.422,0.77,1.0,0.8290898499074772,0.7075594544582277,0.7058289356452607,0.7238280446850799,0.7415765711740113
EOS-2-32468,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncco1,VNVMWOQVRXNTOI-UHFFFAOYSA-N,2,1,0.488,73,196,423.795,3.608,5,0.422,0.63,1.0,0.9017545062024536,0.7834281406346378,0.5288105681584538,0.5595486944006579,0.6933854773490508
EOS-2-32469,Fc1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)ccn1,NWPSPGKZHSKHKK-UHFFFAOYSA-N,2,1,0.549,97,335,423.795,3.608,5,0.395,0.77,1.0,0.797477897333973,0.8196919333835926,0.4906877527242821,0.5820711397436776,0.6724821807963813
EOS-2-32470,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)ccc1Cl,ZFFMRJWGCLIYSB-UHFFFAOYSA-N,2,1,0.58,4,391,423.795,3.608,5,0.422,0.7,1.0,0.8136094167637585,0.8983277362757864,0.6955400589404427,0.7106349804674115,0.7795280481118497
EOS-2-32471,Fc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)c1,GHXCFRPPGNOICW-UHFFFAOYSA-N,2,1,0.556,73,335,423.795,3.608,5,0.422,0.78,1.0,0.8187238708793092,0.8309488725926941,0.47341683229387976,0.5880251524912617,0.6777786820642863
EOS-2-32472,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)ccc1Cl,KEOSNRVDDRPZBU-UHFFFAOYSA-N,2,1,0.595,54,294,423.795,3.608,5,0.422,0.8,1.0,0.8339558632033446,0.7122883969570283,0.7058375025700775,0.7238366116098965,0.7439795935850867
EOS-2-32473,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)nc1,YXLXBSMNADUHMB-UHFFFAOYSA-N,2,1,0.437,44,335,423.795,3.608,5,0.422,0.73,1.0,0.5882050579124117,0.5870827907614283,0.4156671921047221,0.5366664382153382,0.5319053697484751
EOS-2-32474,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cocc5Cl)n34)ncn2)nc1,CBVVKOXSVHINTI-UHFFFAOYSA-N,2,1,0.404,46,726,423.795,3.608,5,0.422,0.56,0.991,0.6334898224933178,0.49820094578849977,0.6277842505654171,0.6675690494140224,0.6067610170653143
EOS-2-32475,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccon1,BLSDIUPIXFDRIR-UHFFFAOYSA-N,2,1,0.556,73,335,423.795,3.608,5,0.422,0.71,1.0,0.9111952573504215,0.907442944280721,0.4381553697484751,0.5399047357960387,0.699174576793914
EOS-2-32476,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)c5)o4)n23)cn1,FARMQLNNKGSONO-UHFFFAOYSA-N,2,1,0.512,2,419,423.795,3.608,5,0.395,0.72,1.0,0.6636625316976218,0.7447227743129327,0.6042423411692139,0.6329586731546843,0.6613965800836132
EOS-2-32477,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccno1,MVKZGSIQFHJRAL-UHFFFAOYSA-N,2,1,0.57,73,335,423.795,3.608,5,0.422,0.73,1.0,0.8844664519224179,0.8983363032006031,0.46653759166609554,0.5595572613254746,0.7022244020286478
EOS-2-32478,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)cn1,JVBFXYBCROXAQK-UHFFFAOYSA-N,2,1,0.575,97,335,423.795,3.608,5,0.395,0.78,1.0,0.8187324378041259,0.8309574395175108,0.48375711054759785,0.5788671098622439,0.6780785244328696
EOS-2-32479,Fc1cc(-c2nnc3cncc(OCc4noc(-c5cccnc5)n4)n23)ccc1Cl,JCSLUHQNCPZDMJ-UHFFFAOYSA-N,2,1,0.518,73,756,423.795,3.608,5,0.422,0.76,1.0,0.7833938729353711,0.7999451716811733,0.5116253169762183,0.5912463162223288,0.6715526694537728
EOS-2-32480,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)o5)n34)cn2)cn1,HRYDLDLYZABAKF-UHFFFAOYSA-N,2,1,0.477,55,434,423.795,3.608,5,0.395,0.71,1.0,0.7863494619971215,0.8414519224179289,0.6629257761633884,0.6388784182030018,0.7324013946953603
EOS-2-32481,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cc1Cl,SXROAFNZSXJFAD-UHFFFAOYSA-N,2,1,0.676,59,294,423.795,3.608,5,0.422,0.77,1.0,0.8241381673634433,0.7955589061750394,0.690040093208142,0.7159464738537454,0.7564209101500925
EOS-2-32482,Fc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cnoc1,UAKDQBMGZJZEKV-UHFFFAOYSA-N,2,1,0.42,46,565,423.795,3.608,5,0.395,0.63,1.0,0.69994345829621,0.6010982797614968,0.692850044548009,0.6993694743334933,0.6733153142348023
EOS-2-32483,Fc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cnno1,WMEWSGFMDNYGNY-UHFFFAOYSA-N,2,1,0.561,4,554,423.795,3.608,5,0.395,0.66,1.0,0.6482163662531698,0.6389126859022686,0.6955486258652595,0.7238451785347132,0.6766307141388528
EOS-2-32484,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)on2)cn1,NUXWICBZYGSYKE-UHFFFAOYSA-N,2,1,0.482,55,959,423.795,3.608,5,0.395,0.69,1.0,0.739531217874032,0.7789133712562538,0.6430676444383524,0.6587879514769378,0.7050750462613941
EOS-2-32485,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nnco1,WNGUXBBVFMHKIF-UHFFFAOYSA-N,2,1,0.53,16,772,423.795,3.608,5,0.422,0.66,1.0,0.8954321156877527,0.7789219381810705,0.7108405866630114,0.7320094578849976,0.7793010246042081
EOS-2-32486,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cnc1Cl,DFKFRAYRBPSDEO-UHFFFAOYSA-N,2,1,0.537,72,22,423.795,3.608,5,0.395,0.7,1.0,0.9221951888150229,0.7534010691522172,0.7160321431019121,0.6993780412583099,0.7727516105818655
EOS-2-32487,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)nc1,DQCYXDJGHGEZMB-UHFFFAOYSA-N,2,1,0.556,34,32,423.795,3.608,5,0.422,0.78,1.0,0.8390017819203619,0.917372010143239,0.4343773559043246,0.5595658282502913,0.6875792440545543
EOS-2-32488,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4ncc(-c5ccnnc5)o4)n23)c1,ORCDGAHMLGGTOL-UHFFFAOYSA-N,2,1,0.537,4,10,423.795,3.608,5,0.422,0.73,1.0,0.6605270372147214,0.7259355081899801,0.6517116715783702,0.6880354328010417,0.6815524124460284
EOS-2-32489,Fc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1cnco1,CUNFPXZMAHUAKL-UHFFFAOYSA-N,2,1,0.488,97,969,423.795,3.608,5,0.395,0.73,1.0,0.90009252278802,0.79995373860599,0.6072493317798643,0.6361541361113014,0.7358624323212939
EOS-2-32490,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3cc(-c4cccnn4)on3)n12,HWEYQYLULMFFFE-UHFFFAOYSA-N,2,1,0.524,34,877,423.795,3.608,5,0.422,0.71,1.0,0.5655712425467754,0.6057672537865808,0.5389709409910218,0.6213419231032828,0.5829128401069152
EOS-2-32491,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1nnco1,FYUZRPWTZABNGM-UHFFFAOYSA-N,2,1,0.549,16,214,423.795,3.608,5,0.395,0.71,1.0,0.8934959906791858,0.7789305051058872,0.7160407100267288,0.7186193543965458,0.7767716400520869
EOS-2-32492,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cnco5)n34)cn2)cnc1Cl,WEVMWYCXLVMUDF-UHFFFAOYSA-N,2,1,0.46,55,879,423.795,3.608,5,0.395,0.73,1.0,0.8661160989651154,0.8158196833664588,0.6820985539030909,0.6733688575149065,0.759350798437393
EOS-2-32493,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)ccc1Cl,IRICWOZTIVTFMJ-UHFFFAOYSA-N,2,1,0.658,59,294,423.795,3.608,5,0.422,0.72,1.0,0.8159567541635254,0.7834367075594545,0.7108491535878281,0.7265351929271469,0.7591944520594888
EOS-2-32494,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)cc1Cl,MIGSTQKDHYPFNX-UHFFFAOYSA-N,2,1,0.658,59,294,423.795,3.608,5,0.422,0.72,1.0,0.8110050716194914,0.7789390720307039,0.7108577205126447,0.7291395380714139,0.7574853505585635
EOS-2-32495,Fc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,NNUHEBWTXBLKDA-UHFFFAOYSA-N,2,1,0.575,4,539,423.795,3.608,5,0.395,0.83,1.0,0.7834024398601878,0.8749657323007334,0.47664656294976354,0.5788756767870605,0.6784726029744363
EOS-2-32496,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccnc(-c4ccon4)n3)n12,NSYYYQKOEVCVMU-UHFFFAOYSA-N,2,1,0.548,4,29,423.795,3.608,5,0.422,0.66,1.0,0.6999520252210266,0.8158282502912755,0.5116338839010349,0.5850952642039613,0.6531273559043246
EOS-2-32497,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3noc(-c4cccnc4)n3)n12,CEUJQAVINDNUNR-UHFFFAOYSA-N,2,1,0.512,73,446,423.795,3.608,5,0.422,0.75,1.0,0.6334983894181344,0.7490233705708998,0.4665461585909122,0.5661452265094922,0.6038032862723597
EOS-2-32498,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)cc1Cl,VOBYGOWLZURLFH-UHFFFAOYSA-N,2,1,0.58,4,391,423.795,3.608,5,0.422,0.7,1.0,0.7917980261805222,0.8379737509423617,0.6955571927900761,0.7106435473922281,0.758993129326297
EOS-2-32499,Fc1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1ncno1,IZAVWXKEBZPMAC-UHFFFAOYSA-N,2,1,0.529,16,55,423.795,3.608,5,0.395,0.7,1.0,0.8747344253306834,0.7834452744842711,0.7266294291001302,0.7374066205194983,0.7805539373586458
EOS-2-32500,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4nnco4)nc3)n12,CXJXSOCGWGQZOU-UHFFFAOYSA-N,2,1,0.5,34,389,423.795,3.608,5,0.422,0.66,1.0,0.7974864642587897,0.7259440751147967,0.6072578987046809,0.6531509149475704,0.6959598382564595
EOS-2-32501,Cc1nnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ccn2)o1,FDJUBWALPWHLKW-UHFFFAOYSA-N,2,1,0.612,13,573,423.795,4.13,5,0.425,0.77,1.0,0.8187410047289425,0.7075680213830443,0.5785929682681105,0.6213504900280995,0.6815631211020492
EOS-2-32502,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccoc5)nc4)n23)nc1Cl,OSBLCGFLNKWRHD-UHFFFAOYSA-N,2,1,0.42,51,379,423.795,3.608,5,0.395,0.71,1.0,0.7119971215132616,0.6879668974025084,0.5044205332054006,0.5435285449934891,0.6119782742786649
EOS-2-32503,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cc1Cl,BWKORTAZDVAHQR-UHFFFAOYSA-N,2,1,0.564,73,19,423.795,3.608,5,0.422,0.73,1.0,0.7395397847988486,0.6633626893290384,0.6793057364128572,0.682509766294291,0.6911794942087589
EOS-2-32504,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4nnco4)c3)n12,AITVNYAEYCPKOL-UHFFFAOYSA-N,2,1,0.512,24,332,423.795,3.608,5,0.422,0.72,1.0,0.7720255637036529,0.6584966760331711,0.6629343430882051,0.707679391405661,0.7002839935576725
EOS-2-32505,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)nc1,SOHZZAXMWRFQBO-UHFFFAOYSA-N,2,1,0.562,34,335,423.795,3.608,5,0.422,0.81,1.0,0.791806593105339,0.8484168322938798,0.41567575902953874,0.5435371119183058,0.6498590740867658
EOS-2-32506,Fc1ccccc1-c1nnc2cncc(OCc3noc(-c4ccc(Cl)cn4)n3)n12,OPCIDRMUOBRVKL-UHFFFAOYSA-N,2,1,0.512,73,446,423.795,3.608,5,0.422,0.8,1.0,0.6279041875128504,0.702856212733877,0.3718816393667329,0.5031440614077171,0.5514465252552944
EOS-2-32507,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)o1,GLIUJAQBIJTPSX-UHFFFAOYSA-N,2,1,0.562,73,335,423.795,3.608,5,0.422,0.74,1.0,0.9334435610993078,0.9298454526763074,0.43816393667329173,0.5095606880954012,0.702753409636077
EOS-2-32508,Cc1nc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)no1,XHQIEOWUOHJBIE-UHFFFAOYSA-N,2,1,0.514,13,412,423.795,4.13,5,0.425,0.78,1.0,0.8030549653896237,0.8574463710506477,0.4837656774724145,0.530018504557604,0.6685713796175725
EOS-2-32509,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ncon4)cn3)n12,UMJOUNHWDFVQBV-UHFFFAOYSA-N,2,1,0.582,73,10,423.795,3.608,5,0.422,0.68,1.0,0.7246247686930299,0.8236584195737098,0.6305428003563841,0.6704818038516894,0.7123269481187032
EOS-2-32510,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)o5)nn4)n23)nc1,IBNMTRREMVOCEL-UHFFFAOYSA-N,2,1,0.411,54,915,423.795,3.608,5,0.422,0.65,0.999,0.6364111438558016,0.6057758207113975,0.5116424508258516,0.5725018847234596,0.5815828250291276
EOS-2-32511,Fc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nc1,XDKKYTAWMRKQIH-UHFFFAOYSA-N,2,1,0.556,73,539,423.795,3.608,5,0.422,0.74,1.0,0.7946508121444726,0.8828730039065177,0.41188061133575493,0.5465698033034062,0.6589935576725379
EOS-2-32512,Fc1cc(-c2nnc3cncc(OCc4nc(-c5cccnc5)no4)n23)ccc1Cl,WWOYMDQJRCPEIA-UHFFFAOYSA-N,2,1,0.542,73,401,423.795,3.608,5,0.422,0.8,1.0,0.7834110067850044,0.8513895552052635,0.5082242478240011,0.5943475430059626,0.6843430882050578
EOS-2-32513,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4cocn4)cn3)n12,GHYBPKWGHRKBIA-UHFFFAOYSA-N,2,1,0.554,24,212,423.795,3.608,5,0.422,0.62,1.0,0.7151754506202453,0.8720958124871496,0.6072664656294976,0.6505037351792201,0.7112603659790282
EOS-2-32514,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ncon4)nc3)n12,DUWQGCMLQAIYIX-UHFFFAOYSA-N,2,1,0.554,73,665,423.795,3.608,5,0.422,0.72,1.0,0.8187495716537592,0.8379823178671784,0.6305513672812008,0.6733774244397231,0.7401651703104654
EOS-2-32515,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3noc(-c4ccccn4)n3)n12,ONXCQIFTOSVUJI-UHFFFAOYSA-N,2,1,0.517,24,446,423.795,3.608,5,0.422,0.8,1.0,0.6055787814406141,0.7490319374957165,0.3832756493729011,0.49946028373654994,0.5593366630114454
EOS-2-32516,Fc1ccc(Cl)cc1-c1nnc2cncc(OCc3nc(-c4ccccn4)no3)n12,UBOSIKRZGHRWQQ-UHFFFAOYSA-N,2,1,0.548,73,877,423.795,3.608,5,0.422,0.75,1.0,0.5996419025426633,0.6780206976903571,0.37958330477691726,0.4994688506613666,0.539178688917826
EOS-2-32517,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1nnco1,PYWYJWDYKVZSLA-UHFFFAOYSA-N,2,1,0.549,34,712,423.795,3.608,5,0.422,0.7,1.0,0.8861627030361181,0.9192910013021726,0.6430762113631691,0.6909910218627922,0.784880234391063
EOS-2-32518,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cn5)n4)n23)cc1,FQFFJTYHHPYFRD-UHFFFAOYSA-N,2,1,0.562,34,335,423.795,3.608,5,0.422,0.8,1.0,0.7946593790692893,0.827419299568227,0.41568432595435545,0.5399133027208554,0.6444190768281818
EOS-2-32519,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4cc(Cl)c(F)s4)n23)cc1F,OYRUVCVZHDJOSF-UHFFFAOYSA-N,2,1,0.537,90,708,423.788,4.272,4,0.351,0.61,1.0,0.8481769583990131,0.6436930299499691,0.7862038242752382,0.6619148790350216,0.7349971729148105
EOS-2-32520,Cc1cc(COc2cncc3nnc(-c4ccc(Cl)nc4C(F)(F)F)n23)n(C)n1,LTEVSCOQVIZAJB-UHFFFAOYSA-N,2,1,0.447,68,127,423.786,3.479,4,0.467,0.66,1.0,0.5083356178466177,0.6293005962579672,0.8184068946610924,0.6619234459598382,0.6544916386813788
EOS-2-32521,Fc1ccc(-c2nnc3cncc(-c4cnnc(-c5cc(Cl)cnn5)n4)n23)c(F)c1,OSAASBKXBFVFPZ-UHFFFAOYSA-N,2,1,0.367,22,844,423.774,3.032,5,0.435,0.62,0.797,0.3612757864436982,0.587091357686245,0.5253580974573367,0.7133678294839284,0.5467732677678021
EOS-2-32522,Fc1ccc(-c2nc(COc3cncc4nnc(-c5cc(F)cc(Cl)c5Cl)n34)no2)nc1,VMCMSZAYCFTNHL-UHFFFAOYSA-N,2,1,0.435,73,756,476.23,4.4,5,0.344,0.68,1.0,0.627912754437667,0.6731546843944898,0.7160492769515455,0.8257915838530601,0.7107270749091905
EOS-2-32523,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,KNGKJPMRPDLNTN-UHFFFAOYSA-N,2,1,0.538,90,255,423.757,4.577,4,0.45,0.8,1.0,0.9728428483311631,0.9579278322253444,0.9948427112603659,0.9927952162291823,0.9796021520115139
EOS-2-32524,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cnc1Cl,WPZTXNUHRVVGLZ-UHFFFAOYSA-N,2,1,0.592,90,255,423.757,4.577,4,0.355,0.77,1.0,0.9826691110958811,0.9640274826948119,0.9971129463367829,0.9953995613734494,0.9848022753752314
EOS-2-32525,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1C(F)(F)F,AVSOPJFFZRCBPG-UHFFFAOYSA-N,2,1,0.577,90,255,423.757,4.577,4,0.355,0.76,1.0,0.9701528339387293,0.957936399150161,0.9969501747652663,0.994585703515866,0.9799062778425056
EOS-2-32526,Fc1ccccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)nc3Cl)n12,RRLCANAAZUZENN-UHFFFAOYSA-N,2,1,0.57,48,255,423.757,4.577,4,0.355,0.72,1.0,0.9487954903707765,0.9540641491330272,0.9909961620176821,0.9832002604345145,0.9692640154890001
EOS-2-32527,N#Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ncn2)cnc1Cl,UUHQIHQAMNXIAS-UHFFFAOYSA-N,2,1,0.429,46,238,476.287,3.796,5,0.348,0.64,0.974,0.5291446782263038,0.6437015968747858,0.6928586114728257,0.745151120553766,0.6527140017819204
EOS-2-32528,N#Cc1cccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nn2)c1,QVSKSVMIROARFY-UHFFFAOYSA-N,2,1,0.573,43,391,476.287,3.796,5,0.372,0.75,1.0,0.8987132478925365,0.9640360496196285,0.5786015351929271,0.7347680076759646,0.7940297100952642
EOS-2-32529,Clc1cc(Cl)nc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)c1,RMIYDRJAIZRUNN-UHFFFAOYSA-N,2,1,0.33,3,620,476.287,4.396,6,0.344,0.71,0.999,0.024724145020903296,0.1826982386402577,0.5354413679665547,0.6704903707765061,0.35333853060105547
EOS-2-32530,N#Cc1cncc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)n1,KBWLZOHHSDJYKS-UHFFFAOYSA-N,2,1,0.456,7,980,476.287,3.796,5,0.372,0.63,1.0,0.7487235282023165,0.7876345007196217,0.6821071208279076,0.737415187444315,0.7389700842985402
EOS-2-32531,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6n[nH]cc6Cl)cc5)n34)n2)nn1,CQBYBCUJZJBCNE-UHFFFAOYSA-N,2,1,0.292,98,973,476.291,3.526,6,0.409,0.62,0.99,0.05039065177164005,0.20506647933657735,0.26818758138578574,0.4437667055033925,0.2418528544993489
EOS-2-32532,Brc1cccc(COc2cncc3nnc(-c4ccc(Oc5cncnc5)cc4)n23)n1,XZMRCWYXIABDBF-UHFFFAOYSA-N,2,1,0.552,4,31,476.294,4.11,5,0.338,0.78,1.0,0.77468131039682,0.6927900760742923,0.5725789870468097,0.49021657185936535,0.6325667363443218
EOS-2-32533,Cc1nc(-c2nnc3cncc(Oc4ccc(Br)cc4F)n23)ccc1-c1ccccc1,QJYSNDLAQGSSLZ-UHFFFAOYSA-N,2,1,0.416,57,616,476.309,5.856,5,0.325,0.7,1.0,0.6880182989514084,0.7306473168391474,0.8556473168391474,0.8577290795695977,0.7830105030498252
EOS-2-32534,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1,VABLOWNJDKEGTB-UHFFFAOYSA-N,2,1,0.671,57,798,476.309,5.334,5,0.343,0.81,1.0,0.9756185319717634,0.9540727160578438,0.8867880885477349,0.8972740045233363,0.9284383352751696
EOS-2-32535,Fc1cnccc1COc1cncc2nnc(-c3cc(Br)ccc3-c3ccccc3)n12,HRLUYBYQSAMXQL-UHFFFAOYSA-N,2,1,0.524,57,962,476.309,5.334,5,0.343,0.83,1.0,0.8787351792200672,0.8309660064423274,0.901951545473237,0.9091220615447879,0.8801936981701048
EOS-2-32536,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1-c1cnc(Cl)c(F)c1,XOGUSDKALWTZGR-UHFFFAOYSA-N,2,1,0.451,95,694,476.324,4.673,5,0.343,0.65,0.888,0.39970701117126994,0.49328353094373245,0.6682030018504558,0.7427266808306491,0.5759800561990268
EOS-2-32537,Cn1c(C#N)ccc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1Cl,ZUADEIJREARRSN-UHFFFAOYSA-N,2,1,0.494,16,214,476.327,4.949,5,0.356,0.67,1.0,0.7834195737098211,0.7665684325954355,0.9205075046261394,0.9243197861695566,0.8487038242752382
EOS-2-32538,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nnn(C(F)F)n5)c(F)n4)n23)c(F)c1,AHTNRYVHXZEICJ-UHFFFAOYSA-N,2,1,0.38,46,223,476.329,2.626,5,0.269,0.51,0.963,0.4311733260228908,0.5253323966828867,0.4417449112466589,0.46281097937084503,0.46526540333082034
EOS-2-32539,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cccc(Br)c4)n23)c1,AALQZEGEIHFKMY-UHFFFAOYSA-N,2,1,0.506,2,328,476.338,4.411,5,0.361,0.74,1.0,0.5239788225618532,0.4489325611678432,0.5786101021177438,0.5300270714824207,0.5203871393324653
EOS-2-32540,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Br)n4)n23)cc1,XLRWFRHOABMEQW-UHFFFAOYSA-N,2,1,0.534,15,848,476.338,3.971,5,0.345,0.73,1.0,0.826802480981427,0.707576588307861,0.4560174079912275,0.40556678774587074,0.5989908162565966
EOS-2-32541,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,TZKOFWFIFYFEHK-UHFFFAOYSA-N,2,1,0.618,23,627,423.662,5.47,4,0.437,0.81,1.0,0.976792200671647,0.9849479130971147,0.9877578644369817,0.9969073401411829,0.9866013295867316
EOS-2-32542,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Br)c4)n23)cc1-c1ccccc1,AIHRKQCCBRXRCW-UHFFFAOYSA-N,2,1,0.512,19,54,476.338,3.971,5,0.345,0.78,1.0,0.49328353094373245,0.3942670139126859,0.3493677609485299,0.36482249331779865,0.4004351997806867
EOS-2-32543,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Br)c4)n23)cc1,GQBKEGJOFKOYJP-UHFFFAOYSA-N,2,1,0.566,15,626,476.338,3.971,5,0.345,0.68,1.0,0.8861712699609349,0.7306558837639641,0.565734014118292,0.49022513878418206,0.6681965766568432
EOS-2-32544,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Br)n23)cc1,GDEZXSUPIYEMHA-UHFFFAOYSA-N,2,1,0.731,91,309,476.338,3.971,5,0.369,0.71,1.0,0.7215235419093962,0.7534096360770338,0.5116510177506682,0.49947741758618325,0.6215154033308203
EOS-2-32545,Cc1ncc(-c2ccc(COc3cncc4nnc(-c5cccc(Br)c5)n34)cn2)n1C,SUHHXOUEJPUULY-UHFFFAOYSA-N,2,1,0.534,16,214,476.338,4.237,5,0.378,0.74,1.0,0.5684925639092592,0.5388595709684052,0.4452830511959427,0.3837810979370845,0.48410407100267283
EOS-2-32546,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1,WUJKQUXECCMPOK-UHFFFAOYSA-N,2,1,0.809,91,520,476.338,3.971,5,0.369,0.79,1.0,0.9017630731272702,0.8574549379754643,0.48747515591803164,0.4721831951202796,0.6797190905352615
EOS-2-32547,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5Br)n34)cc2)cn1,JIQSITXVCCFNEN-UHFFFAOYSA-N,2,1,0.582,15,519,476.338,3.971,5,0.369,0.66,1.0,0.657134534987321,0.6829723802343911,0.5880936878897951,0.5300356384072373,0.6145590603796862
EOS-2-32548,Fc1cc(Cl)cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1Cl,LZTLHZYWBXRPAR-UHFFFAOYSA-N,2,1,0.746,23,17,423.662,5.47,4,0.408,0.79,1.0,0.9938403810568158,0.9934548694400658,0.9885460215201152,0.9970015763141663,0.9932107120827907
EOS-2-32549,Cc1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c(-c2ccccc2Cl)n1,NJTUNLQABWPOFQ-UHFFFAOYSA-N,2,1,0.654,79,732,476.367,6.09,5,0.297,0.73,1.0,0.8639315331368652,0.9135511616750052,0.8427797957645123,0.8930847782879857,0.878336817216092
EOS-2-32550,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5cncs5)ncn4)n23)c(Cl)s1,BSVJSGCBURXGLZ-UHFFFAOYSA-N,2,1,0.44,18,194,476.374,4.695,5,0.351,0.6,0.994,0.5685011308340758,0.5870999246110616,0.38328421629771775,0.4931807278459324,0.5080164998971969
EOS-2-32551,Fc1c(F)c(F)c(COc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)c(F)c1F,WZVNVQKBEWVHKH-UHFFFAOYSA-N,2,1,0.494,2,884,476.39,4.584,5,0.21,0.67,1.0,0.7664227948735521,0.7401137687615653,0.972585840586663,0.9602152011513947,0.8598344013432937
EOS-2-32552,N#Cc1c(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nc2)ccc(F)c1F,VBPRPUDOFGULGA-UHFFFAOYSA-N,2,1,0.573,59,13,476.393,4.86,5,0.337,0.7,1.0,0.9425330683297923,0.9314389006922075,0.987081077376465,0.9848622438489479,0.9614788225618531
EOS-2-32553,N#Cc1c(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2F)ccc(F)c1F,ACZGWRJPYZVVGQ-UHFFFAOYSA-N,2,1,0.558,88,13,476.393,4.86,5,0.337,0.67,1.0,0.9096189431841546,0.9430727845932424,0.9848279761496813,0.9826519772462476,0.9550429202933315
EOS-2-32554,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nncn5C(F)(F)F)cc4)n23)cc1,IGRMEXBUYQJHJZ-UHFFFAOYSA-N,2,1,0.671,91,187,476.422,4.019,5,0.364,0.69,1.0,0.9366647248303749,0.8983448701254197,0.9534558974710438,0.9045987252415872,0.9232660544171064
EOS-2-32555,COc1ccc(OC(F)F)cc1-c1ccc(-c2nnc3cncc(OCc4cccnn4)n23)cc1,VOQJKBIRJBRTBV-UHFFFAOYSA-N,2,1,0.6,1,431,476.443,4.437,5,0.324,0.8,1.0,0.8110136385443081,0.757710232335001,0.8879617572476184,0.7941282297306559,0.8127034644643959
EOS-2-32556,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1ccc(CO)nc1,QKSALXGOIVXHIT-UHFFFAOYSA-N,2,1,0.464,97,83,476.443,3.606,5,0.38,0.57,1.0,0.8661246658899322,0.7212836680145295,0.8808083750257008,0.7779881433760537,0.8115512130765541
EOS-2-32557,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(OC)n4)n23)ccc1-c1cccnc1F,SQSVPPNPFXDUSG-UHFFFAOYSA-N,2,1,0.516,1,83,476.443,4.123,5,0.324,0.67,1.0,0.8214909875950929,0.8345983825645946,0.7656089370159688,0.5851038311287781,0.7517005345761085
EOS-2-32558,Cn1nc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)ccc1=O,ZRYYLZYZFYVYAS-UHFFFAOYSA-N,2,1,0.711,1,431,476.443,3.732,5,0.353,0.81,1.0,0.7572904530189843,0.6539733397299705,0.8365345075731615,0.7632273319169351,0.7527564080597628
EOS-2-32559,COCOc1nc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1cccc(F)c1,MFJFXAFTWSUJIK-UHFFFAOYSA-N,2,1,0.454,1,703,476.443,4.088,5,0.309,0.68,0.945,0.5793725584264272,0.5207662257556027,0.7368840381056816,0.6733859913645398,0.6276022034130628
EOS-2-32560,Fc1cc(-c2cncs2)cc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5F)nn4)n23)c1,LBARHABOVFKPJA-UHFFFAOYSA-N,2,1,0.318,10,783,476.447,4.58,6,0.37,0.69,1.0,0.02264238229045302,0.219930093893496,0.8184154615859092,0.8692258926735659,0.482553457610856
EOS-2-32561,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c(=O)c5)cc4F)n23)ncc1F,RDASRIWPZVLDCV-UHFFFAOYSA-N,2,1,0.474,37,795,476.447,2.55,5,0.368,0.66,1.0,0.46837091357686245,0.4133798231786718,0.3084606949489411,0.30098176958399014,0.37279830032211636
EOS-2-32562,Fc1cc(F)c(F)c(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nn2)c1,ZCJZSGDRFDIJDX-UHFFFAOYSA-N,2,1,0.306,3,783,476.447,4.58,6,0.346,0.68,1.0,0.05523953121787403,0.2660972517305188,0.8203087519703927,0.8527088616270304,0.498588599136454
EOS-2-32563,Cc1cc(=O)n(C)nc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)nc1F,OGYGGUDEQNTFCI-UHFFFAOYSA-N,2,1,0.42,18,773,476.447,2.55,5,0.344,0.6,0.997,0.377527242820917,0.2607343567952848,0.3084692618737578,0.29471934754300594,0.3103625522582414
EOS-2-32564,FC(F)OCc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,GVOUKTRQLREERO-UHFFFAOYSA-N,2,1,0.44,18,840,476.447,3.399,5,0.316,0.71,1.0,0.5911692138989788,0.5159516140086354,0.6305599342060174,0.530044205332054,0.5669312418614214
EOS-2-32565,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)cc1,BFHRAPJMKAJLON-UHFFFAOYSA-N,2,1,0.764,79,650,476.458,5.978,5,0.289,0.83,1.0,0.9894284147762319,0.9878949352340484,0.9881262422040984,0.9758241381673635,0.9853184325954355
EOS-2-32566,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)cc4)n23)cc1,WQJHUFSPYXZUOV-UHFFFAOYSA-N,2,1,0.712,79,590,476.458,6.224,5,0.279,0.81,1.0,0.9886830923171819,0.9819837571105476,0.9903450757316153,0.9762267836337468,0.9843096771982729
EOS-2-32567,FC(F)(F)Oc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccccc5)n34)cc2)cc1,LLWOZFAEVBOLCK-UHFFFAOYSA-N,2,1,0.75,79,650,476.458,5.978,5,0.289,0.83,1.0,0.9809385922829141,0.9805359468165308,0.9879634706325817,0.97493317798643,0.9810927969296142
EOS-2-32568,Cc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,DCIRZXUWYKFJAU-UHFFFAOYSA-N,2,1,0.689,79,640,476.458,6.244,5,0.29,0.82,1.0,0.9883061476252485,0.9560945103145775,0.9922469330409156,0.9809557261325474,0.9794008292783223
EOS-2-32569,FC(F)(F)Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cc1,QRQJOQOADNXXMT-UHFFFAOYSA-N,2,1,0.778,79,650,476.458,5.978,5,0.289,0.83,1.0,0.9907991227468987,0.9858303063532314,0.988134809128915,0.9762353505585635,0.9852498971969021
EOS-2-32570,FC(F)(F)Oc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,NEXZPHUZZOSEJP-UHFFFAOYSA-N,2,1,0.731,79,650,476.458,5.978,5,0.289,0.84,1.0,0.9916558152285656,0.9921098622438489,0.9870896443012817,0.9741964224521965,0.9862629360564732
EOS-2-32571,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(OC(F)F)cc5)c4)n23)cc1,HXLGXKCHAHMWDB-UHFFFAOYSA-N,2,1,0.728,79,497,476.458,5.82,5,0.282,0.83,1.0,0.984939346172298,0.9891200054828319,0.9798163251319306,0.9749417449112466,0.9822043554245768
EOS-2-32572,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)cc1,BMAMOQWMONDDRC-UHFFFAOYSA-N,2,1,0.8,79,497,476.458,5.82,5,0.282,0.84,1.0,0.9985778904804331,0.9982780481118497,0.9811698992529642,0.9758327050921801,0.9884646357343568
EOS-2-32573,FC(F)(F)Oc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,OUFVAGKZIWFSCQ-UHFFFAOYSA-N,2,1,0.735,79,650,476.458,5.978,5,0.289,0.82,1.0,0.9861472825714481,0.9845881022548146,0.9881433760537317,0.9758412720169968,0.9836800082242478
EOS-2-32574,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4cccc(Oc5ccccc5)c4)n23)cc1,RYWPYPIXOWAKCZ-UHFFFAOYSA-N,2,1,0.697,79,590,476.458,6.224,5,0.279,0.82,1.0,0.9914502090329655,0.9864299910903982,0.989608320197382,0.9753872250017134,0.9857189363306148
EOS-2-32575,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)cn2)n[nH]1,KTYHSMDGWCKBHK-UHFFFAOYSA-N,2,1,0.4,6,868,476.46,2.368,6,0.379,0.62,0.89,0.4331951202796244,0.31753306832979233,0.25023130697005,0.20918717017339455,0.3025366664382153
EOS-2-32576,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cn2)nn1,QHZHUDQHMLGUBG-UHFFFAOYSA-N,2,1,0.392,80,816,476.464,2.173,6,0.346,0.64,1.0,0.4060722363100541,0.317541635254609,0.05246384757727366,0.044393804399972585,0.20511788088547733
EOS-2-32577,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cccnn6)cn5)n34)cn2)nn1,BJOBDDQZEOPCNA-UHFFFAOYSA-N,2,1,0.415,6,816,476.464,2.173,6,0.346,0.67,1.0,0.4195994105955726,0.3414347885682955,0.05435713796175725,0.044402371324789254,0.21494842711260365
EOS-2-32578,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)nc1OCCO,QNZBCSFHYNBYFV-UHFFFAOYSA-N,2,1,0.39,49,954,476.472,2.114,5,0.318,0.62,0.998,0.541806593105339,0.32698238640257693,0.2177969296141457,0.14888458638886984,0.30886762387773287
EOS-2-32579,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)cc2)cn1,NMVXKCURBUMGMH-UHFFFAOYSA-N,2,1,0.479,41,868,476.475,4.423,6,0.325,0.67,1.0,0.6571431019121377,0.687975464327325,0.7160578438763622,0.667577616338839,0.682188506613666
EOS-2-32580,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ccc(-c4cncc(F)c4)cn3)n12,MZDOJSGCSVFPFX-UHFFFAOYSA-N,2,1,0.344,42,106,476.475,4.52,6,0.358,0.62,1.0,0.49830374888629975,0.4534901651703105,0.6629429100130217,0.6001045164827633,0.5537103351380989
EOS-2-32581,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nc5)n34)cc2)nn1,MYSNZBVYFINFCH-UHFFFAOYSA-N,2,1,0.506,77,323,476.475,4.423,6,0.348,0.74,1.0,0.8844750188472346,0.6780292646151738,0.6845572613254746,0.629900280995134,0.7192404564457542
EOS-2-32582,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)ccc1-c1cccnc1,NUCNZXXKGYKQRS-UHFFFAOYSA-N,2,1,0.61,41,25,476.475,4.423,6,0.348,0.68,1.0,0.7746898773216366,0.7306644506887807,0.6575114796792544,0.6241347405935166,0.696750137070797
EOS-2-32583,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cc2)nc1,ZQOGKGGRHKVSKG-UHFFFAOYSA-N,2,1,0.5,81,120,476.475,4.423,6,0.348,0.75,1.0,0.7029418819820438,0.6633712562538551,0.6042509080940306,0.5820797066684943,0.638160938249606
EOS-2-32584,Fc1ccc(-c2nc(C3CC3)ccc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cn1,QTOKZOBOQXYKJL-UHFFFAOYSA-N,2,1,0.3,9,894,476.475,4.982,7,0.321,0.59,0.998,0.27846789116578713,0.3942755808375026,0.3905746693167021,0.49948598451099996,0.3907010314577479
EOS-2-32585,N=c1ccc(-c2ccc(-c3nnc4cncc(-c5cccnc5Oc5ccc(F)cc5)n34)cc2)n[nH]1,TUURAVZUITXAKT-UHFFFAOYSA-N,2,1,0.388,69,152,476.475,4.654,6,0.374,0.73,1.0,0.3955092180111027,0.4932920978685491,0.7291652388458639,0.6880439997258584,0.5765026386128436
EOS-2-32586,COc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cc5)n34)cn2)cn1,MXIPRGIKXAABGE-UHFFFAOYSA-N,2,1,0.367,32,594,476.475,4.52,6,0.358,0.74,1.0,0.4833458981563978,0.5668391474196423,0.6277928174902337,0.597174628195463,0.5687881228154342
EOS-2-32587,Fc1ncccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)n1,GZZZPVSLZAAGDH-UHFFFAOYSA-N,2,1,0.478,41,25,476.475,4.423,6,0.325,0.69,1.0,0.6849427729422246,0.7075851552326777,0.6461603042971695,0.6241433075183332,0.6657078849976013
EOS-2-32588,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cnc1-c1ccccn1,TUTZBFMCGDGFNZ-UHFFFAOYSA-N,2,1,0.451,28,297,476.475,4.423,6,0.348,0.69,1.0,0.8661332328147489,0.740122335686382,0.6042594750188472,0.5694263587142759,0.6949853505585635
EOS-2-32589,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)cc3)n12,FKTNLKFGZYAJGK-UHFFFAOYSA-N,2,1,0.352,9,38,476.475,4.52,6,0.335,0.62,1.0,0.4786426564320472,0.440219998629292,0.7922006716469057,0.7347765746007813,0.6114599753272565
EOS-2-32590,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cn1,AGZCFSMZUYYERW-UHFFFAOYSA-N,2,1,0.442,41,59,476.475,4.423,6,0.325,0.74,1.0,0.80033925022274,0.7617795216229183,0.5756716469056268,0.5465783702282229,0.671092197244877
EOS-2-32591,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)nc1,DXDPWUFXRYBIKP-UHFFFAOYSA-N,2,1,0.446,28,177,476.475,4.423,6,0.348,0.75,1.0,0.557149955451991,0.5623158111164417,0.6042680419436639,0.6184206017407992,0.5855386025632239
EOS-2-32592,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)nc2)cn1,PIKCWWSTXDVQSW-UHFFFAOYSA-N,2,1,0.411,77,177,476.475,4.423,6,0.325,0.78,1.0,0.6790401617435405,0.5766397094099103,0.7082019738194778,0.6764101158248236,0.6600729901994381
EOS-2-32593,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)n2)cn1,ZMIMXUVZOVWPKQ-UHFFFAOYSA-N,2,1,0.452,28,414,476.475,4.423,6,0.325,0.72,1.0,0.5545541772325406,0.5527893907203071,0.6278013844150504,0.5971831951202796,0.5830820368720444
EOS-2-32594,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cc2)nn1,NJRLUBXMZADUQZ-UHFFFAOYSA-N,2,1,0.523,77,323,476.475,4.423,6,0.348,0.74,1.0,0.880671304228634,0.8158368172160921,0.6982643410321431,0.661932012884655,0.7641761188403811
EOS-2-32595,Fc1ccccc1-c1ncccc1COc1cncc2nnc(-c3cncc(-c4ncccn4)c3)n12,RFAQPFMLNHVYER-UHFFFAOYSA-N,2,1,0.452,28,414,476.475,4.423,6,0.348,0.68,1.0,0.7863580289219382,0.6633798231786718,0.5881022548146118,0.5788842437118772,0.6541810876567747
EOS-2-32596,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)cc5)n34)c2)cn1,GGAWAHMINVPGOA-UHFFFAOYSA-N,2,1,0.429,41,78,476.475,4.423,6,0.325,0.73,1.0,0.6819700500308409,0.5712853813994928,0.7318809540127476,0.688052566650675,0.6682972380234391
EOS-2-32597,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cn1,QEFIENMWPACVJJ-UHFFFAOYSA-N,2,1,0.468,28,218,476.475,4.423,6,0.348,0.74,1.0,0.6511633883901035,0.6780378315399904,0.5849924611061613,0.5851123980535947,0.6248265197724625
EOS-2-32598,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cn1,HJIIJJOCSJMXGU-UHFFFAOYSA-N,2,1,0.426,28,363,476.475,4.423,6,0.325,0.68,1.0,0.6249657323007334,0.6487903502158865,0.6042766088684806,0.582088273593311,0.6150302412446028
EOS-2-32599,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cn1,VAWOHMUJBAJKRC-UHFFFAOYSA-N,2,1,0.386,32,20,476.475,4.52,6,0.358,0.64,0.997,0.4589130285792612,0.47526728805428003,0.5009680625042835,0.45648002193132753,0.472907100267288
EOS-2-32600,COc1ncc(-c2ccnnc2)cc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)nc3)n12,NOAZKBAVAQNSMC-UHFFFAOYSA-N,2,1,0.329,42,192,476.475,4.52,6,0.358,0.72,1.0,0.4473048454526763,0.5527979576451237,0.7058460694948941,0.6619405798094716,0.5919723631005415
EOS-2-32601,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1-c1ccccn1,RJJQMTJZHINYGZ-UHFFFAOYSA-N,2,1,0.548,28,297,476.475,4.423,6,0.348,0.71,1.0,0.6636710986224384,0.7028647796586938,0.49069631964909877,0.4690991021862792,0.5815828250291275
EOS-2-32602,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c1,QRYWKCQFOQRHLS-UHFFFAOYSA-N,2,1,0.455,12,285,476.475,4.423,6,0.348,0.76,1.0,0.7516448495648003,0.7490405044205332,0.5558991844287574,0.6126893290384483,0.6673184668631347
EOS-2-32603,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)cn5)n34)cc2)nc1,QGJHCZCBTWCBIN-UHFFFAOYSA-N,2,1,0.528,77,120,476.475,4.423,6,0.348,0.75,1.0,0.7091871701733946,0.6780463984648071,0.6739342745528065,0.6388869851278185,0.6750137070797066
EOS-2-32604,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)cn2)nc1,PKRUVKOGJVONEJ-UHFFFAOYSA-N,2,1,0.535,28,297,476.475,4.423,6,0.348,0.73,1.0,0.6636796655472551,0.6780549653896237,0.5288191350832705,0.4994945514358166,0.5925120793639915
EOS-2-32605,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc1-c1ccccn1,FWXAITUMGRWBOK-UHFFFAOYSA-N,2,1,0.545,28,120,476.475,4.423,6,0.348,0.61,1.0,0.7918151600301556,0.7306730176135974,0.5817198958261942,0.5465869371530395,0.6626987526557467
EOS-2-32606,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c1,WRWYTNMWYBWDTC-UHFFFAOYSA-N,2,1,0.413,41,518,476.475,4.423,6,0.348,0.79,1.0,0.7364899595641149,0.7122969638818449,0.5881108217394284,0.5912548831471455,0.6570381570831334
EOS-2-32607,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)cc5)n34)c2)nn1,KEEYRPLHSPMHHG-UHFFFAOYSA-N,2,1,0.5,77,808,476.475,4.423,6,0.348,0.75,1.0,0.7974950311836063,0.6487989171407031,0.6517202385031869,0.6029487355218971,0.6752407305873485
EOS-2-32608,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)nnc1-c1ccccc1,RFCHSNPIXCOKRD-UHFFFAOYSA-N,2,1,0.443,30,897,476.475,4.423,6,0.348,0.71,0.984,0.5391851141114385,0.5819683366458775,0.4233517236652731,0.4931892947707491,0.5094236172983345
EOS-2-32609,Fc1cc(-c2cncnn2)ccc1-c1nnc2cncc(OCc3cccc(-c4cccnc4)c3)n12,UKCVJEVHCJFUHZ-UHFFFAOYSA-N,2,1,0.457,77,177,476.475,4.423,6,0.348,0.73,1.0,0.8159653210883421,0.7352820231649647,0.7746727434720033,0.760622986772668,0.7716357686244946
EOS-2-32610,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)cn1,VQJPGNPMIJBZIN-UHFFFAOYSA-N,2,1,0.529,41,592,476.475,4.423,6,0.325,0.68,1.0,0.7516534164896169,0.6976046878212597,0.7291738057706806,0.6704989377013227,0.71223271194572
EOS-2-32611,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nc1-c1cccnc1,PNCSQVFMBFFCBD-UHFFFAOYSA-N,2,1,0.528,41,868,476.475,4.423,6,0.348,0.76,1.0,0.6790487286683572,0.7123055308066616,0.6928671783976423,0.6560037009115208,0.6850562846960455
EOS-2-32612,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nn2)c1,DFOLOEZRLHGHBQ-UHFFFAOYSA-N,2,1,0.523,41,25,476.475,4.423,6,0.348,0.74,1.0,0.7307072853128641,0.6976132547460764,0.6655729559317387,0.6560122678363375,0.6874764409567542
EOS-2-32613,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)cc5)n34)cc2)nn1,ORTGMDLPHLGIFG-UHFFFAOYSA-N,2,1,0.55,77,323,476.475,4.423,6,0.348,0.72,1.0,0.8917055033925022,0.8236669864985265,0.7108662874374615,0.6705075046261394,0.7741865704886574
EOS-2-32614,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c2)nc1,SZCGPXGUSGDPOY-UHFFFAOYSA-N,2,1,0.489,41,78,476.475,4.423,6,0.348,0.72,1.0,0.9196936467685559,0.7490490713453499,0.770038037146186,0.7265437598519635,0.7913311287780138
EOS-2-32615,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nn5)n34)cc2)cn1,HWXGYYFLXVFJBB-UHFFFAOYSA-N,2,1,0.494,41,25,476.475,4.423,6,0.325,0.71,1.0,0.7091957370982113,0.6780635323144404,0.6739428414776232,0.6446867932287026,0.6764722260297442
EOS-2-32616,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cn5)n34)c2)cn1,BCGNVQLYCWYWBJ-UHFFFAOYSA-N,2,1,0.473,28,414,476.475,4.423,6,0.325,0.75,1.0,0.5083441847714344,0.4982095127133164,0.6430847782879857,0.6062555685011308,0.5639735110684669
EOS-2-32617,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)c2)nc1,SDUOGXOYSNYXGN-UHFFFAOYSA-N,2,1,0.44,41,414,476.475,4.423,6,0.348,0.83,1.0,0.7778596395038038,0.6342351449523679,0.625,0.5943561099307793,0.6578627235967378
EOS-2-32618,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cn5)n34)c2)cn1,GYBZFNVFHMYUEY-UHFFFAOYSA-N,2,1,0.534,41,868,476.475,4.423,6,0.325,0.72,1.0,0.5340535261462546,0.5485487629360565,0.7630988280446851,0.7159550407785621,0.6404140394763895
EOS-2-32619,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nn5)n34)cc2)nc1,FXLSETAOPZGSRU-UHFFFAOYSA-N,2,1,0.506,77,120,476.475,4.423,6,0.348,0.76,1.0,0.7364985264889315,0.6829809471592078,0.6278099513398671,0.6093310945103145,0.6641551298745803
EOS-2-32620,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)nc2)cn1,JVHNTXOQBUUPQL-UHFFFAOYSA-N,2,1,0.415,41,868,476.475,4.423,6,0.325,0.76,1.0,0.715184017545062,0.5965064080597628,0.7631073949695018,0.7265523267767802,0.7003375368377767
EOS-2-32621,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nc4)cc3)n12,WBIQQXSGHAPNFG-UHFFFAOYSA-N,2,1,0.356,9,38,476.475,4.52,6,0.335,0.6,1.0,0.4808700568843808,0.41338839010348843,0.7922092385717223,0.7320180248098143,0.6046214275923514
EOS-2-32622,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cn5)n34)cc2)nn1,FAKDFOZMLWAHMM-UHFFFAOYSA-N,2,1,0.571,41,592,476.475,4.423,6,0.348,0.72,1.0,0.6968165307381262,0.6437101637996024,0.6821156877527242,0.6388955520526352,0.6653844835857721
EOS-2-32623,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6ccccn6)n5)n34)cc2)c1,HBIXBKQACBIZFU-UHFFFAOYSA-N,2,1,0.528,12,285,476.475,4.423,6,0.348,0.71,1.0,0.6364197107806182,0.7123140977314784,0.5354499348913714,0.5880337194160784,0.6180543657048866
EOS-2-32624,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)c5)n34)ccn2)ccn1,IHMLKRSNZSSFAT-UHFFFAOYSA-N,2,1,0.484,28,942,476.475,4.423,6,0.325,0.7,1.0,0.8057878144061408,0.6389212528270852,0.679314303337674,0.6241518744431499,0.6870438112535124
EOS-2-32625,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nc5)n34)cc2)nc1,HWXUUWDDZOYIRW-UHFFFAOYSA-N,2,1,0.517,41,868,476.475,4.423,6,0.348,0.71,1.0,0.9222037557398396,0.7352905900897814,0.7368926050304982,0.6825183332191077,0.7692263210198068
EOS-2-32626,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cn5)n34)cn2)nc1,TXEWRTHDEUBZOB-UHFFFAOYSA-N,2,1,0.566,28,297,476.475,4.423,6,0.348,0.72,1.0,0.7275974916044137,0.7028733465835104,0.6544702213693373,0.6184291686656158,0.6758425570557194
EOS-2-32627,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5nnccc5-c5cncnc5)n34)cc2)c1,PQRBJTGSKAYBOJ-UHFFFAOYSA-N,2,1,0.495,41,190,476.475,4.423,6,0.348,0.67,1.0,0.757299019943801,0.7665769995202522,0.7108748543622782,0.7213350695634295,0.7390214858474402
EOS-2-32628,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)nn2)cc1,SCBJSTHEMNNGOC-UHFFFAOYSA-N,2,1,0.494,77,897,476.475,4.423,6,0.348,0.83,1.0,0.7336457405249811,0.6829895140840244,0.6517288054280036,0.6675861832636557,0.6839875608251662
EOS-2-32629,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCc3cncc(-c4cncnc4)n3)n12,VPHPLEQVWIPNKG-UHFFFAOYSA-N,2,1,0.447,41,868,476.475,4.423,6,0.348,0.65,1.0,0.6666266876841889,0.7706120211089027,0.6629514769378384,0.670516071550956,0.6926765643204714
EOS-2-32630,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)cc1,KWDPTVMDFAKMDK-UHFFFAOYSA-N,2,1,0.557,41,621,476.475,4.423,6,0.348,0.74,1.0,0.8880988280446851,0.8637087930916318,0.7082105407442945,0.6993866081831266,0.7898511925159345
EOS-2-32631,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1-c1cncnc1,YETFYVSXIUSLLN-UHFFFAOYSA-N,2,1,0.451,41,285,476.475,4.423,6,0.348,0.7,1.0,0.7516619834144336,0.735299157014598,0.585001028030978,0.5912634500719621,0.6658064046329929
EOS-2-32632,COc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)nc2)n1,XRCGCPDHDJGSDD-UHFFFAOYSA-N,2,1,0.36,32,20,476.475,4.52,6,0.358,0.74,1.0,0.552121170584607,0.6539819066547872,0.6400520869028853,0.60011308340758,0.6115670618874648
EOS-2-32633,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1,QKQVSLYOMZVSPZ-UHFFFAOYSA-N,2,1,0.488,41,621,476.475,4.423,6,0.348,0.75,1.0,0.8844835857720512,0.8448101569460627,0.6955657597148928,0.6909995887876088,0.7789647728051539
EOS-2-32634,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nc1,KPVDVUONOMEGHT-UHFFFAOYSA-N,2,1,0.472,41,857,476.475,4.423,6,0.348,0.71,1.0,0.7918237269549723,0.7353077239394147,0.49737852100609964,0.5300527722568706,0.6386406860393392
EOS-2-32635,Fc1cc(-c2ccccc2)cc(-c2nnc3cncc(OCc4cnc(-c5ccnnc5)cn4)n23)c1,SHBSPVWMKHGKIE-UHFFFAOYSA-N,2,1,0.528,41,177,476.475,4.423,6,0.348,0.62,1.0,0.559831402919608,0.5871084915358783,0.6793228702624906,0.6793828387362073,0.626411400863546
EOS-2-32636,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)cn1,BIHXJWLBHSVLNY-UHFFFAOYSA-N,2,1,0.5,77,120,476.475,4.423,6,0.325,0.74,1.0,0.6727606058529231,0.6585052429579878,0.6221557809608663,0.5943646768555959,0.6369465766568434
EOS-2-32637,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nn2)cn1,GCTIKQUYVNZEEF-UHFFFAOYSA-N,2,1,0.494,41,25,476.475,4.423,6,0.325,0.73,1.0,0.6968250976629429,0.6683315057227058,0.6710300870399561,0.6475481461174697,0.6709337091357687
EOS-2-32638,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)nc2)c1,RRDSMYFPYDNKOQ-UHFFFAOYSA-N,2,1,0.406,41,280,476.475,4.423,6,0.348,0.82,1.0,0.7395483517236653,0.5965149749845795,0.7608542937427181,0.7374237543691317,0.7085853437050237
EOS-2-32639,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccccn6)n5)n34)cn2)cc1,OZNXVTGUSRIRQA-UHFFFAOYSA-N,2,1,0.522,28,120,476.475,4.423,6,0.348,0.72,1.0,0.6335069563429512,0.7306815845384141,0.5253666643821534,0.5230278939072031,0.6031457747926805
EOS-2-32640,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nc1-c1ccccc1,XNQWAPKUGHEWAP-UHFFFAOYSA-N,2,1,0.467,41,285,476.475,4.423,6,0.348,0.67,1.0,0.8767305188129669,0.7789476389555205,0.5657425810431088,0.5694349256390926,0.6977139161126723
EOS-2-32641,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)c2)cc1,GPNBNMKIDVWYBC-UHFFFAOYSA-N,2,1,0.479,28,414,476.475,4.423,6,0.348,0.74,1.0,0.565579809471592,0.6585138098828045,0.5850095949557946,0.5820968405181276,0.5978000137070797
EOS-2-32642,COc1ncccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)c(F)c4)n23)cn1,VRTGOUACLVEORJ-UHFFFAOYSA-N,2,1,0.321,32,20,476.475,4.52,6,0.358,0.65,0.942,0.49080768967171545,0.5668477143444589,0.5218799259817696,0.46589507230484545,0.5113576005756973
EOS-2-32643,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1-c1ccnnc1,PSFXKTSUXCVHCO-UHFFFAOYSA-N,2,1,0.457,28,363,476.475,4.423,6,0.348,0.66,1.0,0.6335155232677678,0.6633883901034885,0.6955743266397094,0.6733945582893565,0.6664681995750805
EOS-2-32644,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cc2)c1,XQBRXQCZSGPYTC-UHFFFAOYSA-N,2,1,0.511,81,609,476.475,4.423,6,0.348,0.7,0.996,0.6759903365088068,0.6633969570283051,0.6461688712219862,0.6270132273319169,0.6531423480227537
EOS-2-32645,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)c2)cc1,ZEBJUUOZZSKCRN-UHFFFAOYSA-N,2,1,0.433,28,414,476.475,4.423,6,0.348,0.72,0.991,0.5033496676033171,0.5577410732643411,0.6629600438626551,0.6560208347611541,0.5950179048728669
EOS-2-32646,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccccn6)n5)n34)cc2)cn1,YJLIMDDJMHSIRF-UHFFFAOYSA-N,2,1,0.516,41,25,476.475,4.423,6,0.325,0.67,1.0,0.6937924062778426,0.7212922349393461,0.5756802138304434,0.5465955040778562,0.6343400897813721
EOS-2-32647,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(C)nc5-c5ccc(F)cc5)n34)nc2)nn1,BPGPBIHFXCVUAK-UHFFFAOYSA-N,2,1,0.329,94,321,476.479,3.918,6,0.373,0.65,0.999,0.2895363580289219,0.3705537660201494,0.30124734425330685,0.3227417586183264,0.3210198067301761
EOS-2-32648,CCOc1cc(-c2nnc3cncc(-c4ccc(-c5nccn5C)cc4)n23)c(OC)cc1C(F)F,JZVGENAMTRHGIN-UHFFFAOYSA-N,2,1,0.333,61,697,476.487,5.204,5,0.321,0.72,1.0,0.3932732506339524,0.2868891782605716,0.8743146460146666,0.7133763964087451,0.566963367829484
EOS-2-32649,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5COC(F)F)n34)cc2)cn1,WXLYZEXMSKOSLJ-UHFFFAOYSA-N,2,1,0.565,91,322,476.487,4.553,5,0.311,0.72,1.0,0.6279213213624837,0.6202367898019328,0.9007350421492701,0.8298865739154273,0.7446949318072784
EOS-2-32650,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)cc4F)n23)c(F)c1,YTIUXMRKCVQXQL-UHFFFAOYSA-N,2,1,0.372,69,220,476.49,6.169,6,0.304,0.73,1.0,0.31590535261462543,0.47982489205674733,0.8995613734493866,0.9046072921664039,0.6499747275717909
EOS-2-32651,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c(F)c1F,CMOPJIJIAIRAGL-UHFFFAOYSA-N,2,1,0.312,30,93,476.49,6.169,6,0.304,0.71,0.998,0.3055136728120074,0.44894112809265985,0.9295027756836406,0.9263929819751902,0.6525876396408745
EOS-2-32652,FC(F)c1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccncn5)c4)n23)cc1,PMTPEPNHEBODHO-UHFFFAOYSA-N,2,1,0.319,21,107,476.49,6.52,6,0.283,0.74,1.0,0.37279830032211636,0.41339695702830515,0.9642416558152286,0.957782194503461,0.6770547769172778
EOS-2-32653,CS(=O)(=O)c1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)cc1,KUKBJJBYDZGELV-UHFFFAOYSA-N,2,1,0.536,43,613,476.493,3.37,5,0.367,0.79,1.0,0.562718456582825,0.6342437118771845,0.6042851757932972,0.559574395175108,0.5902054348571038
EOS-2-32654,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(-c6ccccc6)o5)c4)n23)cc1,RYKYCUVTXCSQSA-UHFFFAOYSA-N,2,1,0.578,12,897,476.496,4.58,6,0.356,0.8,1.0,0.760288876704818,0.479833458981564,0.6603299979439381,0.5912720169967788,0.6229310876567747
EOS-2-32655,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)cc1,OEZJUHJILZEHDV-UHFFFAOYSA-N,2,1,0.638,17,593,476.496,5.255,6,0.293,0.72,1.0,0.7918322938797889,0.5766482763347269,0.6629686107874717,0.5943732437804126,0.6564556061956002
EOS-2-32656,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)cc2)n1,NYDONQWNZXJUQF-UHFFFAOYSA-N,2,1,0.573,17,960,476.496,5.521,6,0.297,0.78,1.0,0.6666352546090055,0.3846634911932013,0.622164347885683,0.5335395106572545,0.5517506510862861
EOS-2-32657,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)cc2)o1,YLXOFAOMGBMPOR-UHFFFAOYSA-N,2,1,0.573,17,593,476.496,5.521,6,0.297,0.79,1.0,0.6636882324720719,0.4134055239531218,0.6250085669248167,0.539921869645672,0.5605060482489206
EOS-2-32658,OCc1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)c1,SBXQIFWFJQLZJY-UHFFFAOYSA-N,2,1,0.462,28,363,476.5,3.505,6,0.372,0.74,1.0,0.32577445000342675,0.205075046261394,0.4766551298745802,0.4122575560276883,0.35494054554177235
EOS-2-32659,COc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(-c5cc(C)[nH]n5)cn4)n23)cc1,DZOOVXATDHXNPV-UHFFFAOYSA-N,2,1,0.287,32,586,476.5,4.748,6,0.366,0.67,0.999,0.19418648481940923,0.12520560619560003,0.4973870879309163,0.3547220889589473,0.2928753169762182
EOS-2-32660,OCc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cn1,YVLMYRCOYYSPKF-UHFFFAOYSA-N,2,1,0.479,40,78,476.5,3.505,6,0.372,0.68,1.0,0.4311818929477075,0.2252758549790967,0.4766636967993969,0.412266122952505,0.3863468919196765
EOS-2-32661,c1ccc(Oc2cccc(CCOc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)c2)cc1,RPYTZKQPWQJQOG-UHFFFAOYSA-N,2,1,0.614,17,960,476.5,4.385,6,0.344,0.77,1.0,0.8159738880131588,0.6106761017065314,0.5288277020080872,0.4902337057089987,0.611427849359194
EOS-2-32662,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(Oc6ccccc6)c5)n34)ncn2)cn1,MLPYPIXWJLXCRI-UHFFFAOYSA-N,2,1,0.426,17,410,476.5,4.353,6,0.335,0.69,1.0,0.3844835857720513,0.13922109519566855,0.5218884929065862,0.4437752724282092,0.3723421115756288
EOS-2-32663,COc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)ccc1-c1ccccn1,CWDNPMGEBBCZCA-UHFFFAOYSA-N,2,1,0.458,28,2,476.5,4.022,6,0.34,0.7,1.0,0.3519806730176136,0.17440545541772326,0.48377424439723116,0.35170653142348024,0.340466726064012
EOS-2-32664,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4OC)n23)nc1,UQRXCVOZEKDYSE-UHFFFAOYSA-N,2,1,0.319,30,7,476.5,4.323,6,0.378,0.63,1.0,0.1308769104242341,0.049765266260023304,0.552403879103557,0.41227468987732163,0.28633018641628405
EOS-2-32665,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)cc2)n1,WACUDMJBMLBTCA-UHFFFAOYSA-N,2,1,0.615,17,960,476.5,4.353,6,0.335,0.76,1.0,0.5627270235076417,0.29727229113837295,0.4593842094441779,0.41537591666095536,0.433689860187787
EOS-2-32666,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,QOBYHOOYMYGRSN-UHFFFAOYSA-N,2,1,0.612,17,960,476.5,4.353,6,0.335,0.77,1.0,0.5008395586320334,0.2713402097183195,0.43817250359810844,0.42823487081077377,0.4096467856898088
EOS-2-32667,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)c1,UGXNNAOFTZUYLY-UHFFFAOYSA-N,2,1,0.506,17,410,476.5,4.353,6,0.335,0.7,1.0,0.3405695291618121,0.13922966212048524,0.4804417106435474,0.43745288191350834,0.34942344595983826
EOS-2-32668,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Oc5ccccc5)c4)n23)cc1,JMQLXFHPTYSSFD-UHFFFAOYSA-N,2,1,0.612,17,960,476.5,4.353,6,0.335,0.8,1.0,0.5291532451511205,0.37551401548900004,0.44529161812075935,0.4282434377355904,0.44455057912411755
EOS-2-32669,OCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)cc1,NGNKQMVTLQJIIL-UHFFFAOYSA-N,2,1,0.517,12,285,476.5,3.641,6,0.371,0.67,1.0,0.44977211979987664,0.23519635391679802,0.4701014323898293,0.44378383935302584,0.39971343636488244
EOS-2-32670,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncccc4Oc4ccccc4)n23)cc1,WILMBTWUPHGIKA-UHFFFAOYSA-N,2,1,0.522,17,960,476.5,4.353,6,0.335,0.67,1.0,0.41274587074223834,0.23032177369611403,0.37189020629154956,0.3105767253786581,0.33138364402714005
EOS-2-32671,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5ccccc5)ccc4O)n23)cc1,BKOCBTTUYOVEEZ-UHFFFAOYSA-N,2,1,0.524,12,285,476.5,3.933,6,0.384,0.65,1.0,0.5239873894866699,0.3269909533273936,0.45939277636899456,0.45020903296552667,0.44014503803714616
EOS-2-32672,Oc1cc(-c2nnc3cncc(OCCc4ccc(-n5ccnn5)cc4)n23)ccc1-c1ccccn1,HBKGYVMDQGXTIX-UHFFFAOYSA-N,2,1,0.522,77,933,476.5,3.761,6,0.37,0.6,1.0,0.3955177849359194,0.27134877664313617,0.5116595846754849,0.4406312110204921,0.40478933931875816
EOS-2-32673,Cn1nc(Oc2ccccc2)nc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,CRVOPIHVMJMKIS-UHFFFAOYSA-N,2,1,0.443,12,960,476.5,4.353,6,0.335,0.73,1.0,0.42905729559317385,0.28689774518538824,0.19704783770817627,0.19460626413542595,0.2769022856555411
EOS-2-32674,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)cc1,TUVUBQMGLXTYBA-UHFFFAOYSA-N,2,1,0.636,17,960,476.5,4.353,6,0.335,0.8,1.0,0.49831231581111646,0.2814834487012542,0.45940134329381127,0.4345658282502913,0.4184407340141183
EOS-2-32675,COc1ncccc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nncn5C)cc4)n23)cc1,NFLIEUJPHKEEDH-UHFFFAOYSA-N,2,1,0.511,67,722,476.5,4.45,6,0.347,0.75,1.0,0.4196079775203893,0.2869063121102049,0.46655472551572885,0.35473065588376396,0.3819499177575218
EOS-2-32676,Fc1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1cnsc1,LNNWHILIEUMJOR-UHFFFAOYSA-N,2,1,0.61,35,619,423.498,4.737,5,0.395,0.73,1.0,0.8661417997395655,0.8042457679391406,0.6982729079569597,0.7022051264478103,0.767716400520869
EOS-2-32677,Cn1nnnc1-c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)cc1,GKMVPEULLWVMHZ-UHFFFAOYSA-N,2,1,0.518,40,213,476.504,3.06,6,0.342,0.76,1.0,0.4859502433006648,0.3657134534987321,0.21437015968747858,0.20636865190871084,0.3181006270988966
EOS-2-32678,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnn5)nc4)n23)cc1,KKYZHEINAWUXCD-UHFFFAOYSA-N,2,1,0.542,67,49,476.504,3.06,6,0.342,0.56,1.0,0.7336543074497979,0.41341409087793846,0.20768795833047768,0.17823487081077377,0.3832478068672469
EOS-2-32679,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5cnccn5)nc4)n23)cc1,SGJOQSBHJUWCKE-UHFFFAOYSA-N,2,1,0.562,56,2,476.504,3.06,6,0.342,0.65,1.0,0.6819786169556576,0.3802686587622507,0.21780549653896236,0.17824343773559043,0.36457405249811525
EOS-2-32680,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnccn6)n5)n34)cc2)cn1,OAACVGQEFJQKDJ-UHFFFAOYSA-N,2,1,0.417,80,277,476.504,3.501,6,0.341,0.61,1.0,0.26265334795421835,0.20508361318621068,0.23960832019738196,0.18377767116715785,0.22278073812624222
EOS-2-32681,Cn1c(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cnc1-c1cccnn1,XVBNXOWRXIYPAN-UHFFFAOYSA-N,2,1,0.449,56,868,476.504,3.06,6,0.342,0.61,0.989,0.4760211774381468,0.36096737715029814,0.16130662737303816,0.16461346035227195,0.2907271605784388
EOS-2-32682,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)ncn2)cn1,WRMBTHRJQUKROY-UHFFFAOYSA-N,2,1,0.369,6,826,476.504,3.501,6,0.341,0.64,1.0,0.21622061544787882,0.0762970324172435,0.25724761839490096,0.20919573709821124,0.18974025083955864
EOS-2-32683,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)nn5C)n34)cc2)cn1,XPBRGPNQLBSAGL-UHFFFAOYSA-N,2,1,0.457,56,355,476.504,3.326,6,0.356,0.63,1.0,0.36128435336851483,0.30727845932424097,0.10270886162703036,0.08560927969296142,0.21422023850318692
EOS-2-32684,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)cc1,YBJQPDJMBGNENS-UHFFFAOYSA-N,2,1,0.457,67,755,476.504,3.501,6,0.341,0.6,1.0,0.35662394626824756,0.20054314303337675,0.17720683983277363,0.15396477280515386,0.22208467548488794
EOS-2-32685,CCOc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)cn1,NAEAFYRTOSOZSL-UHFFFAOYSA-N,2,1,0.362,25,791,476.504,3.505,6,0.355,0.71,1.0,0.21353060105544514,0.15036666438215338,0.20067164690562675,0.1782520046604071,0.1857052292509081
EOS-2-32686,Cc1nn(C)cc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)c1,CZWOORMKVPBUPK-UHFFFAOYSA-N,2,1,0.444,6,843,476.504,3.326,6,0.356,0.6,0.75,0.2569991775752176,0.16585566445068878,0.2502398738948667,0.17277773970255636,0.21146811390583237
EOS-2-32687,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cccnn6)n5)n34)cc2)nn1C,AVJIJNIIOWYTLD-UHFFFAOYSA-N,2,1,0.396,81,428,476.504,3.326,6,0.356,0.59,0.999,0.40377630045918717,0.26074292372010144,0.16436501953258859,0.11716983071756562,0.23651351860736067
EOS-2-32688,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,PDMYHUWPWUODIE-UHFFFAOYSA-N,2,1,0.453,56,415,476.504,3.501,6,0.341,0.59,1.0,0.37512850387225,0.2005517099581934,0.18685319717634158,0.15677472414502092,0.22982703378795147
EOS-2-32689,c1ccc(Cn2cc(CCOc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nn2)nc1,LRUUHFMGOBHQIB-UHFFFAOYSA-N,2,1,0.45,6,796,476.504,2.905,6,0.326,0.72,1.0,0.230116167500514,0.15037523130697006,0.09764580906037969,0.10999931464601467,0.1470341306284696
EOS-2-32690,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nc2)n1C,MFRCHAOVWHTUHM-UHFFFAOYSA-N,2,1,0.458,6,826,476.504,3.326,6,0.356,0.71,1.0,0.2520988965800836,0.1544616544445206,0.10542457679391405,0.08940442738674526,0.15034738880131587
EOS-2-32691,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc1,KXFIAHNFWUHQTL-UHFFFAOYSA-N,2,1,0.458,56,868,476.504,3.501,6,0.341,0.67,1.0,0.35437084504146393,0.21493557672537866,0.21129463367829485,0.17278630662737304,0.23834684051812763
EOS-2-32692,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)c2)n1C,LGPLFFDUSMSROG-UHFFFAOYSA-N,2,1,0.467,6,843,476.504,3.326,6,0.356,0.67,1.0,0.4267099581934069,0.20056027688301006,0.16131519429785485,0.132607429237201,0.2302982146528682
EOS-2-32693,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)n(C)n1,FVWWDJFXWLENLL-UHFFFAOYSA-N,2,1,0.467,81,117,476.504,3.326,6,0.356,0.63,1.0,0.35198923994243025,0.22528442190391337,0.19359536700705915,0.15397333972997054,0.23121059214584333
EOS-2-32694,CCn1cc(-c2nccc(Oc3cncc4nnc(-c5ccc(-c6cnc(C)cn6)cc5)n34)n2)cn1,ARIUNNCXKYDYAG-UHFFFAOYSA-N,2,1,0.337,56,355,476.504,4.022,6,0.351,0.63,1.0,0.259903365088068,0.21993866081831265,0.18033376739085738,0.11941436501953259,0.19489753957919267
EOS-2-32695,c1cnc(-n2cccn2)c(COc2cncc3nnc(-c4ccc(-c5nnc6n5CCC6)cc4)n23)c1,QPYRMMHJPFTVIE-UHFFFAOYSA-N,2,1,0.42,56,415,476.504,3.156,7,0.36,0.68,1.0,0.2436690425604825,0.11507093413748201,0.00742752381605099,0.026925844698786925,0.09827333630320062
EOS-2-32696,COc1cc(-c2nnc(C)n2C)ccc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cn3)n12,LPLJILBVYNTILY-UHFFFAOYSA-N,2,1,0.333,94,170,476.504,3.423,6,0.368,0.7,1.0,0.11713556301829896,0.024869782742786648,0.20068021383044343,0.14889315331368652,0.12289467822630389
EOS-2-32697,CCn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cn1,YHSYPCUIQYVCQU-UHFFFAOYSA-N,2,1,0.404,56,350,476.504,3.501,6,0.341,0.69,1.0,0.24937461448838324,0.2557655404016174,0.2793845521211706,0.22353676924131313,0.25201536906312105
EOS-2-32698,COc1cc(-c2nncn2C)ncc1-c1cncc2nnc(-c3ccc(-c4cnc(C)cn4)cc3)n12,LQUXYCMJUOAXBB-UHFFFAOYSA-N,2,1,0.326,98,725,476.504,3.423,6,0.368,0.64,1.0,0.15010965663765335,0.02971009526420396,0.22488177643753,0.15678329106983757,0.14037120485230623
EOS-2-32699,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nc4)n23)cc1,IMVJCYKHTSUPRJ-UHFFFAOYSA-N,2,1,0.517,56,415,476.504,3.501,6,0.341,0.61,1.0,0.4448033034062093,0.20056884380782675,0.2681961483106024,0.21241690082927833,0.2814962990884792
EOS-2-32700,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n(C)n2)nn1,MMGBVDORPVOHDZ-UHFFFAOYSA-N,2,1,0.458,81,117,476.504,3.326,6,0.356,0.66,1.0,0.32836166129806044,0.30212117058460697,0.15468439448975396,0.1326159961620177,0.22944580563360978
EOS-2-32701,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnccn5)n4)n23)cc1,GKQZKGZUIVXVRB-UHFFFAOYSA-N,2,1,0.463,40,609,476.504,3.501,6,0.341,0.61,1.0,0.34993317798643,0.1786546501267905,0.17054177232540607,0.13927249674456857,0.20960052429579876
EOS-2-32702,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cnccn6)cn5)n34)nc2)n[nH]1,NNKZUBLLTUWQHF-UHFFFAOYSA-N,2,1,0.429,80,596,476.504,3.358,6,0.368,0.57,0.969,0.4983208827359331,0.3705623329449661,0.2323007333287643,0.17533925022274005,0.3191307998081009
EOS-2-32703,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cncnc6)nn5)n34)cc2)n1,GPHRVGMDKUDTDZ-UHFFFAOYSA-N,2,1,0.468,71,117,476.504,3.06,6,0.342,0.61,1.0,0.5033582345281338,0.4085480775820711,0.2357617709546981,0.1920618874648756,0.3349324926324447
EOS-2-32704,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cn1,XTVHCKWVVPVDFI-UHFFFAOYSA-N,2,1,0.41,6,597,476.504,3.501,6,0.341,0.68,1.0,0.3333219107669111,0.18705023644712493,0.1486618463436365,0.1055445137413474,0.193644626824755
EOS-2-32705,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(-n6cccc6)cc5)n34)c2)nc1,WKQICVMZHYOYMM-UHFFFAOYSA-N,2,1,0.571,77,603,476.515,5.405,6,0.308,0.7,1.0,0.7863665958467548,0.587117058460695,0.8412291823726955,0.8218850661366596,0.7591494757042012
EOS-2-32706,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)cc1,XFWXBFUFHYYKFM-UHFFFAOYSA-N,2,1,0.62,12,492,476.515,5.671,6,0.31,0.75,1.0,0.8241467342882599,0.6437187307244192,0.887970324172435,0.8527174285518471,0.8021383044342404
EOS-2-32707,CCn1nc(-c2ccc(F)cc2)cc1Oc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,YKKIZGZCWWVBGS-UHFFFAOYSA-N,2,1,0.462,21,47,476.515,6.273,6,0.283,0.81,1.0,0.6195514358165993,0.6829980810088411,0.7369011719553149,0.7581385785758344,0.6993973168391475
EOS-2-32708,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5cccc(-c6cccc(F)c6)c5)n34)c2)n1,OHKDKGBRBNNZEZ-UHFFFAOYSA-N,2,1,0.517,12,994,476.515,5.577,6,0.314,0.8,1.0,0.5443424028510726,0.5668562812692756,0.8729353711191831,0.8558443561099308,0.7099946028373655
EOS-2-32709,Cn1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)c(-c2ccccc2)n1,JOHJCSKLOXANJE-UHFFFAOYSA-N,2,1,0.58,12,492,476.515,5.577,6,0.314,0.8,1.0,0.6698649852648894,0.6879840312521417,0.8048454526763074,0.8093516551298746,0.7430115310808033
EOS-2-32710,Cn1cc(-c2ccc(COc3cncc4nnc(-c5cccc(-c6ccc(F)cc6)c5)n34)cc2)cn1,QLEWIXZLHLJCHQ-UHFFFAOYSA-N,2,1,0.6,12,492,476.515,5.577,6,0.314,0.81,1.0,0.6571516688369543,0.6731632513193064,0.9091905969433213,0.8876704818038517,0.7817939997258585
EOS-2-32711,OCc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)s1,ZRRLDRWKMFSGDT-UHFFFAOYSA-N,2,1,0.488,55,879,423.483,2.838,5,0.444,0.55,1.0,0.34994174491124663,0.3992272633815366,0.09765437598519636,0.08757110547597834,0.23359862243848947
EOS-2-32712,CC(C)n1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)n1,CYSJUGXBZKSSKG-UHFFFAOYSA-N,2,1,0.37,93,74,476.519,5.499,6,0.327,0.75,0.89,0.21914193681036256,0.34144335549311217,0.640060653827702,0.6361627030361181,0.4592021622918237
EOS-2-32713,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(C)n(C)n6)cn5)n34)c(F)c2)cn1,WQZJTFFYOFJLDX-UHFFFAOYSA-N,2,1,0.31,38,572,476.519,5.072,6,0.353,0.75,1.0,0.1608697142073881,0.3072870262490576,0.657520046604071,0.5821054074429443,0.4269455486258652
EOS-2-32714,Cc1cn(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)c(C)n5)cc4)n23)cn1,NEBVOUMHGLMBBB-UHFFFAOYSA-N,2,1,0.333,38,532,476.519,5.072,6,0.353,0.7,1.0,0.18310945103145776,0.32699952025221024,0.5725875539716263,0.5063909259132342,0.3972718627921321
EOS-2-32715,Cc1cc(-c2nn(C)c(C)c2-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)ccc1F,HHNMLQZXIFGHQB-UHFFFAOYSA-N,2,1,0.306,9,171,476.519,5.072,6,0.353,0.65,1.0,0.08665444452059488,0.22529298882873003,0.6368223562470016,0.6155678157768487,0.3910844013432938
EOS-2-32716,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)cn5)n34)cc2F)c(C)n1,LTMFRYPXULCWKI-UHFFFAOYSA-N,2,1,0.314,38,572,476.519,5.072,6,0.353,0.7,1.0,0.17157837022822287,0.2661058186553355,0.6766928243437735,0.5851209649784114,0.4248744945514358
EOS-2-32717,CCOc1ncc(-c2cncc3nnc(-c4ccc(-c5cccc(C)n5)cn4)n23)cc1C,ULVZGOAWTSFSQG-UHFFFAOYSA-N,2,1,0.333,82,523,423.48,4.326,5,0.416,0.76,0.39,0.21915050373517922,0.11812932629703242,0.31600815571242546,0.1973562470015763,0.21266105818655334
EOS-2-32718,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ncccc5C)n34)c2)nc1,LYPYUYZQVCVTIV-UHFFFAOYSA-N,2,1,0.56,15,921,423.48,3.882,5,0.409,0.75,1.0,0.6279298882873003,0.49330066479336576,0.2396168871221986,0.18114762524844083,0.3854987663628264
EOS-2-32719,Cc1ccc(-c2cc(-c3nnc4cncc(CCC(O)c5ccccn5)n34)ccn2)cn1,TZVQIZGLDZLQNV-UHFFFAOYSA-N,2,1,0.414,14,796,423.48,3.618,5,0.445,0.68,1.0,0.17437118771845658,0.14282777054348572,0.45257350421492704,0.3808769104242341,0.28766234322527584
EOS-2-32720,CCc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cn1,DYLKULVJPSHWFS-UHFFFAOYSA-N,2,1,0.533,35,76,423.48,3.827,5,0.393,0.76,1.0,0.6666438215338222,0.5528065245699404,0.3605475978342814,0.27697724624768694,0.46424379754643275
EOS-2-32721,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nc2C)ccn1,WEXRLDBRNPFVHA-UHFFFAOYSA-N,2,1,0.517,49,796,423.48,3.882,5,0.409,0.72,0.993,0.447313412377493,0.3414519224179289,0.2977434720032897,0.22081248714961277,0.3268303234870811
EOS-2-32722,CCn1cncc1-c1cncc(-c2nnc3cncc(OCC=Cc4ccccc4)n23)c1,VNFGSQRUOARFKX-UHFFFAOYSA-N,2,1,0.423,26,328,423.48,4.162,5,0.391,0.66,1.0,0.415050373517922,0.26611438558015216,0.43438592282914124,0.32910698375711056,0.3611644164210815
EOS-2-32723,Fc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)s2)cs1,FTKJIYZYAGLZRT-UHFFFAOYSA-N,2,1,0.454,40,763,476.522,4.48,6,0.378,0.64,1.0,0.6306456034541841,0.6634055239531218,0.30847782879857444,0.30742409704612433,0.47748826331300115
EOS-2-32724,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(S(C)(=O)=O)cn5)n34)cn2)cn1,NCPSZTHMTWTELT-UHFFFAOYSA-N,2,1,0.457,92,860,476.522,2.447,5,0.348,0.74,1.0,0.2328575834418477,0.2005774107326434,0.13655678157768486,0.08561784661777808,0.1639024055924885
EOS-2-32725,COc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1cccnc1,REOFIDCKLGQRJZ-UHFFFAOYSA-N,2,1,0.707,79,955,423.476,4.483,5,0.384,0.78,1.0,0.7720341306284696,0.4446662326091426,0.7058546364197108,0.6126978959632651,0.633813223905147
EOS-2-32726,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)cn1,YJRSHBFGHCMUJW-UHFFFAOYSA-N,2,1,0.75,79,650,423.476,4.483,5,0.384,0.79,1.0,0.9126602014940717,0.7167860324857789,0.6873072441916249,0.5788928106366938,0.7239115722020424
EOS-2-32727,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccccc1,VWHSKLRFRCWYFI-UHFFFAOYSA-N,2,1,0.642,79,955,423.476,4.483,5,0.384,0.76,1.0,0.6938009732026592,0.46663182783907886,0.6102563223905147,0.5262747584127202,0.5742409704612432
EOS-2-32728,COc1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(C)cc4)n23)nc1,ZNAOTFFGJBNCJT-UHFFFAOYSA-N,2,1,0.542,1,347,423.476,4.749,5,0.392,0.82,1.0,0.7516705503392502,0.47984202590638064,0.7471300801864162,0.6127064628880817,0.6478372798300323
EOS-2-32729,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncs6)cc5)n34)cc2)n[nH]1,ZXQFKFZIMDDTAY-UHFFFAOYSA-N,2,1,0.31,9,537,423.465,3.762,6,0.459,0.69,1.0,0.10149235830306354,0.15038379823178671,0.3453241724350627,0.3616184634363649,0.23970469810156947
EOS-2-32730,c1cc(-c2csnn2)cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,UMIYXWCJRFPVMQ-UHFFFAOYSA-N,2,1,0.311,9,537,423.465,3.762,6,0.459,0.66,1.0,0.05364608320197382,0.10562161606469742,0.3679494208758824,0.4025769309848537,0.23244851278185183
EOS-2-32731,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)nc5)n34)cc2)n[nH]1,HIUXPNPFGDUJDC-UHFFFAOYSA-N,2,1,0.306,38,7,423.465,3.762,6,0.459,0.6,1.0,0.09651497498457953,0.16983071756562265,0.33458981563977797,0.33249091905969436,0.2333566068124186
EOS-2-32732,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)n[nH]1,JULXEXHQIUFXCN-UHFFFAOYSA-N,2,1,0.301,38,154,423.465,3.762,6,0.459,0.65,1.0,0.11438558015214859,0.16586423137550546,0.3306575971489274,0.332499485984511,0.23585172366527313
EOS-2-32733,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)cc2)c1,KOUKJHINKNRANY-UHFFFAOYSA-N,2,1,0.293,38,725,423.465,3.762,6,0.459,0.74,1.0,0.14692276060585294,0.1870588033719416,0.3160167226372421,0.37447741758618325,0.25611892605030495
EOS-2-32734,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cn2)c1,KWBWQSGDJKGUFY-UHFFFAOYSA-N,2,1,0.291,76,191,423.465,3.762,6,0.459,0.68,1.0,0.16352546090055514,0.21494414365019532,0.2502484408196834,0.2738674525392365,0.2256463744774176
EOS-2-32735,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)n1,GXIMSGFKFMFZPH-UHFFFAOYSA-N,2,1,0.301,38,154,423.465,3.762,6,0.459,0.69,1.0,0.0987852100609965,0.16209478445617162,0.2717942567336029,0.279967103008704,0.20316033856486876
EOS-2-32736,c1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cs2)cc1,YZVZAPDSSOBNDF-UHFFFAOYSA-N,2,1,0.357,93,74,423.465,3.762,6,0.459,0.74,1.0,0.1015009252278802,0.1911880611335755,0.23230930025358099,0.2888767048180385,0.2034687478582688
EOS-2-32737,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)cc2)cs1,ZMIJRVRWIYLIGN-UHFFFAOYSA-N,2,1,0.299,42,725,423.465,3.762,6,0.459,0.75,1.0,0.12790418751285038,0.16587279830032212,0.35684668631348093,0.41538448358577207,0.26650203892810637
EOS-2-32738,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nn2)n[nH]1,KTKAERXMHHBQKF-UHFFFAOYSA-N,2,1,0.299,38,154,423.465,3.762,6,0.459,0.66,0.999,0.10399390034953053,0.15817969981495442,0.27180282365841957,0.3388647111232952,0.21821028373654994
EOS-2-32739,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)n1,FEYLNRLVYJKOFK-UHFFFAOYSA-N,2,1,0.328,69,894,423.461,4.632,6,0.408,0.77,1.0,0.15545541772325405,0.20058597765746009,0.48045027756836406,0.4751473511068467,0.3279097560139812
EOS-2-32740,c1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)cc2)o1,IKWXXGPMVYYSPB-UHFFFAOYSA-N,2,1,0.329,69,894,423.461,4.632,6,0.408,0.69,1.0,0.17158693715303955,0.21994722774312933,0.5524124460283737,0.5498680693578233,0.3734536700705915
EOS-2-32741,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)nc5)n34)cc2)c1,TULRNFMDWFBLOW-UHFFFAOYSA-N,2,1,0.306,38,57,423.461,4.632,6,0.408,0.72,1.0,0.04155815228565554,0.09904221780549653,0.48748372284284835,0.5230364608320197,0.287780138441505
EOS-2-32742,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)nc2)c1,ZUDJRUORJWIWIP-UHFFFAOYSA-N,2,1,0.313,32,687,423.461,4.632,6,0.408,0.75,1.0,0.062512850387225,0.11813789322184909,0.3568552532382976,0.3778185182646837,0.22883112877801384
EOS-2-32743,c1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cc2)o1,YXPHVJPZXACAGS-UHFFFAOYSA-N,2,1,0.319,38,818,423.461,4.632,6,0.408,0.74,1.0,0.18877218833527518,0.16210335138098828,0.5116681516003015,0.5166027002947022,0.3447865979028168
EOS-2-32744,c1cnc(-c2ccsc2)c(-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)c1,UQRUHCMJAWJOHI-UHFFFAOYSA-N,2,1,0.306,32,392,423.461,4.632,6,0.408,0.59,0.863,0.16629257761633884,0.1318621067781509,0.39432698238640257,0.41851997806867247,0.2777504112123912
EOS-2-32745,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)o1,SIIJRJIDKNCMAI-UHFFFAOYSA-N,2,1,0.329,69,894,423.461,4.632,6,0.408,0.76,1.0,0.0844184771434446,0.11507950106229868,0.5817284627510109,0.5943818107052292,0.34390206291549585
EOS-2-32746,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)s2)cc1,PJZUNZWAVMEXAY-UHFFFAOYSA-N,2,1,0.333,69,220,423.461,4.632,6,0.408,0.74,1.0,0.0965235419093962,0.1318706737029676,0.32699952025221024,0.3870964978411349,0.2356225584264272
EOS-2-32747,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)o5)n34)cn2)cc1,JQKHOLQQVYWJKN-UHFFFAOYSA-N,2,1,0.329,30,541,423.461,4.632,6,0.408,0.71,0.999,0.04006750736755534,0.1022719484613803,0.40507847303132066,0.4628195462956617,0.2525593687889795
EOS-2-32748,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)n1,PPRNDHZCBSHNBZ-UHFFFAOYSA-N,2,1,0.314,32,174,423.461,4.632,6,0.408,0.7,1.0,0.14143992872318553,0.20059454458227674,0.4487440888218765,0.4502175998903434,0.31024904050442054
EOS-2-32749,c1coc(-c2ccc(-c3nnc4cncc(-c5cnncc5-c5cscn5)n34)cc2)c1,KKPHVCQNHAHSCQ-UHFFFAOYSA-N,2,1,0.338,38,57,423.461,4.632,6,0.408,0.61,1.0,0.10888561441984786,0.11209821122609828,0.5456445754232061,0.5694434925639092,0.33401797340826533
EOS-2-32750,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)cc2)n1,ULLFVGNOJGKMCH-UHFFFAOYSA-N,2,1,0.344,32,479,423.461,4.632,6,0.408,0.74,1.0,0.06993180727845932,0.1581882667397711,0.44530018504557606,0.44063977794530873,0.2785150092522788
EOS-2-32751,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cc2)c1,UXVJWHNLWKBYPY-UHFFFAOYSA-N,2,1,0.314,38,787,423.461,4.632,6,0.408,0.72,1.0,0.19705640463299295,0.2253015557535467,0.45602597491604413,0.4780943732437804,0.339119577136591
EOS-2-32752,c1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccsc6)cn5)n34)cc2)o1,DJPJHWQCFFGEMW-UHFFFAOYSA-N,2,1,0.282,42,174,423.461,4.632,6,0.408,0.72,1.0,0.1222842848331163,0.11508806798711535,0.47667226372421356,0.5031526283325337,0.3042993112192447
EOS-2-32753,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)s5)n34)o2)nc1,WNAISAZGBNFAHN-UHFFFAOYSA-N,2,1,0.311,32,368,423.461,4.632,6,0.408,0.67,1.0,0.01770783359605236,0.046287094784456174,0.2939911589335892,0.3291155506819272,0.17177540949900622
EOS-2-32754,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)cn5)n34)cc2)o1,STZTVARTEQJTJX-UHFFFAOYSA-N,2,1,0.294,41,174,423.461,4.632,6,0.408,0.74,1.0,0.11137002261668151,0.1252141731204167,0.5288362689329038,0.5300613391816873,0.32387045096292233
EOS-2-32755,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)s5)n34)nc2)nc1,POCIOPPNSMKRAI-UHFFFAOYSA-N,2,1,0.269,76,368,423.461,4.632,6,0.408,0.67,1.0,0.10644404084709752,0.11509663491193202,0.3012559111781235,0.32592865465012677,0.21218131039681995
EOS-2-32756,c1ccc(-c2nocc2-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)cc1,HJCXINHUFIDOGR-UHFFFAOYSA-N,2,1,0.341,32,371,423.461,4.632,6,0.408,0.68,1.0,0.09403913371256253,0.10228051538619697,0.3493763278733466,0.4122832568021383,0.2394948084435611
EOS-2-32757,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nc2)co1,HCAMLVMKHBBIAT-UHFFFAOYSA-N,2,1,0.333,32,191,423.461,4.632,6,0.408,0.63,1.0,0.1308854773490508,0.1392382290453019,0.4629737509423617,0.47515591803166335,0.30206334384209443
EOS-2-32758,c1cnc(-c2ccsc2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c1,MQEIJJCNQXHLAO-UHFFFAOYSA-N,2,1,0.297,9,339,423.461,4.632,6,0.408,0.62,1.0,0.15011822356247,0.14283633746830238,0.4233602905900898,0.4534473305462271,0.29244054554177235
EOS-2-32759,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)nc2)c1,RHLFHSZJSITZAV-UHFFFAOYSA-N,2,1,0.299,32,687,423.461,4.632,6,0.408,0.76,1.0,0.1689911589335892,0.15447022136933727,0.4453087519703927,0.4534558974710438,0.30555650743609075
EOS-2-32760,OCCCn1ccc2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)ccc21,VYRIPLIOTMCXMS-UHFFFAOYSA-N,2,1,0.414,77,363,476.54,4.769,6,0.34,0.75,1.0,0.5365807689671716,0.4885802892193818,0.6042937427181139,0.5912805839215955,0.5551838462065657
EOS-2-32761,c1cc(-c2ccc3ccccc3c2)cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,RIMGFGPIGFQAOG-UHFFFAOYSA-N,2,1,0.383,21,810,476.543,6.736,7,0.282,0.69,1.0,0.1970649715578096,0.214952710575012,0.9082568021383044,0.9283548077582071,0.5621573230073333
EOS-2-32762,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(C(C)(C)C)c5-c5ccccn5)n34)cc2)o1,YFJJUNLDYBWOPT-UHFFFAOYSA-N,2,1,0.279,38,303,476.544,5.435,6,0.334,0.72,1.0,0.15816256596532108,0.14284490439311906,0.29775203892810637,0.1646220272770886,0.1908453841409088
EOS-2-32763,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ccnn5C)n4)n23)cc1,XITFQVOQZWNDEG-UHFFFAOYSA-N,2,1,0.293,98,882,423.444,2.377,6,0.462,0.59,1.0,0.06587965184017545,0.05360324857789048,0.10271742855184703,0.09518710163799603,0.07934685765197724
EOS-2-32764,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)n2)n1C,MARPMUAYSQRUMV-UHFFFAOYSA-N,2,1,0.524,89,250,423.44,2.741,5,0.423,0.69,1.0,0.5058255088753341,0.45349873209512714,0.16749194709067233,0.16724350627098897,0.32351492358303063
EOS-2-32765,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)cn2)nn1C,ZQQGNMOITZXILI-UHFFFAOYSA-N,2,1,0.56,55,283,423.44,2.741,5,0.423,0.67,1.0,0.4403313686519087,0.3175502021794257,0.3345983825645946,0.22668083064903022,0.3297901960112398
EOS-2-32766,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)n(C)n2)nc1,WQMIDWCFMKEDQM-UHFFFAOYSA-N,2,1,0.53,89,926,423.44,2.741,5,0.423,0.68,1.0,0.5109228291412514,0.5113340415324515,0.24658179699814955,0.2092043040230279,0.3695107429237201
EOS-2-32767,N#CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)cn1,WNKBBCPRYVCABB-UHFFFAOYSA-N,2,1,0.5,65,468,423.44,2.59,5,0.392,0.75,1.0,0.3889212528270852,0.33645740524981155,0.34938489479816326,0.2917037900075389,0.3416168357206497
EOS-2-32768,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(C#N)c4)n23)cc1,NGDPNQSGRPMUAW-UHFFFAOYSA-N,2,1,0.68,91,402,423.44,2.475,5,0.408,0.79,1.0,0.8390103488451786,0.678072099239257,0.3346069494894113,0.33887327804811185,0.5476406689054897
EOS-2-32769,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)cn4)n23)cn1,ODGZKMVMCIZXHJ-UHFFFAOYSA-N,2,1,0.447,7,823,423.44,2.915,5,0.409,0.76,1.0,0.41275443766705505,0.322441916249743,0.36429134397916524,0.2830254951682544,0.34562829826605446
EOS-2-32770,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)cc1,QJJXPLBYOZODRO-UHFFFAOYSA-N,2,1,0.718,91,402,423.44,2.475,5,0.408,0.79,1.0,0.8593567952847646,0.7447313412377493,0.35313720786786373,0.34845966691796315,0.5764212528270852
EOS-2-32771,CCn1cc(-c2nccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)n2)cn1,NACHXYIOGTWXAW-UHFFFAOYSA-N,2,1,0.494,89,731,423.44,2.915,5,0.409,0.69,1.0,0.42906586251799056,0.46664039476389557,0.27939311904598724,0.23858028921938182,0.3534199163868138
EOS-2-32772,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccncc5C#N)n34)ccn2)cn1,SYSZRIHPLJGYSR-UHFFFAOYSA-N,2,1,0.435,92,329,423.44,2.915,5,0.409,0.63,1.0,0.2730964293057364,0.18706737029675827,0.4193338359262559,0.3259372215749435,0.3013587142759235
EOS-2-32773,Cc1nn(C)cc1-c1ccc(COc2cncc3nnc(-c4ccc(C#N)nc4)n23)nc1,JDMWJAXVSZJZNJ-UHFFFAOYSA-N,2,1,0.489,92,205,423.44,2.741,5,0.423,0.67,1.0,0.3519978068672469,0.3072955931738743,0.38701082859296826,0.26522342539921867,0.32788191350832707
EOS-2-32774,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cc5)n34)cc2)cc1,XXDPGFNVNCYZLW-UHFFFAOYSA-N,2,1,0.632,17,410,476.561,6.891,6,0.251,0.81,1.0,0.8339644301281612,0.5435799465423892,0.8844064834487012,0.8610616133232815,0.7807531183606332
EOS-2-32775,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nnn(C)n5)c(F)c4)n23)n1,HWHVLNLGMURZEK-UHFFFAOYSA-N,2,1,0.542,36,610,423.437,2.465,5,0.424,0.73,1.0,0.39971557809608665,0.5072647522445343,0.06592248646425879,0.06753306832979233,0.26010897128366806
EOS-2-32776,Cc1nnsc1COc1cncc2nnc(-c3ccc(-c4nncn4C)c(F)c3)n12,YNYFHTXWRRUBKE-UHFFFAOYSA-N,2,1,0.512,36,404,423.437,2.465,5,0.424,0.6,1.0,0.38669385237475157,0.5253409636077033,0.062041669522308274,0.0822082105407443,0.26407117401137686
EOS-2-32777,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4nncs4)n23)cc1F,JDXHGPBBCRPBLE-UHFFFAOYSA-N,2,1,0.517,36,610,423.437,2.199,5,0.409,0.58,1.0,0.5996504694674799,0.5965235419093962,0.06387499143307518,0.08941299431156192,0.3373654992803783
EOS-2-32778,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)nc2F)nn1,HJFWMOQKSCWEBL-UHFFFAOYSA-N,2,1,0.522,31,814,423.437,2.199,5,0.383,0.59,0.971,0.4037848673840038,0.37552258241381675,0.05054485641834007,0.058109451031457746,0.22199043931190457
EOS-2-32779,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)o5)n34)o2)n1C,NRDQTAZOJUVRJS-UHFFFAOYSA-N,2,1,0.288,76,387,423.436,4.415,6,0.414,0.68,0.998,0.045773079295456105,0.007667397710917689,0.1613237612226715,0.20637721883352753,0.1052853642656432
EOS-2-32780,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)o2)n1C,PDKYZARWFTWHPR-UHFFFAOYSA-N,2,1,0.311,38,193,423.436,4.415,6,0.414,0.71,1.0,0.09879377698581317,0.06904084709752588,0.2286597902816805,0.2563309574395175,0.16320634295113426
EOS-2-32781,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)cn1,JLCFHPHURZXYNJ-UHFFFAOYSA-N,2,1,0.636,89,731,423.436,3.909,5,0.418,0.76,1.0,0.5941076691110959,0.5113426084572682,0.497395654855733,0.4055753546706874,0.5021053217736962
EOS-2-32782,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cc1,YFEDXVMQKHCVMN-UHFFFAOYSA-N,2,1,0.531,77,427,476.565,5.864,6,0.299,0.73,1.0,0.622267150983483,0.4798505928311973,0.7033702282228771,0.6329672400795011,0.6096138030292646
EOS-2-32783,CCOc1cc(-c2cscn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,DYEAAMZCKMFBHE-UHFFFAOYSA-N,2,1,0.372,69,220,476.565,6.043,6,0.292,0.74,0.999,0.1501267904872867,0.1354602152011514,0.6575286135288877,0.6093396614351313,0.38811382016311424
EOS-2-32784,Cn1ccc(-c2nc(-c3nnc4cncc(OCc5sccc5O)n34)ccc2F)n1,UGTNOCHFYZYPCZ-UHFFFAOYSA-N,2,1,0.394,46,128,423.433,3.072,5,0.463,0.54,0.344,0.40608080323487084,0.4535072990199438,0.23577033787951476,0.212425467754095,0.32694597697210614
EOS-2-32785,COc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc6c(c5)OCO6)n34)cc2)n1,QTPGZYIVVUPDGR-UHFFFAOYSA-N,2,1,0.429,62,697,423.432,4.258,6,0.427,0.84,1.0,0.5109313960660681,0.2661229525049688,0.7345195668562813,0.5971917620450963,0.5271914193681037
EOS-2-32786,COc1cc(-c2nnc3cncc(OCc4sccc4F)n23)ccc1-c1cocn1,WHYBURLYGBABTB-UHFFFAOYSA-N,2,1,0.512,4,61,423.429,4.235,5,0.404,0.69,1.0,0.8527516962511137,0.7617880885477349,0.6490045233363032,0.5300699061065041,0.6984035535604141
EOS-2-32787,c1cc(COc2cncc3nnc(-c4ccnc(-c5csc(-c6cncs6)n5)c4)n23)sn1,SEDLAQZVZOWMMX-UHFFFAOYSA-N,2,1,0.482,6,297,476.572,4.469,6,0.347,0.63,1.0,0.4060893701596875,0.39923583030635323,0.11065040093208142,0.11255225824138167,0.25713196490987594
EOS-2-32788,c1cc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)s2)sn1,HFKPANVDJSTBIZ-UHFFFAOYSA-N,2,1,0.482,40,25,476.572,4.469,6,0.347,0.61,1.0,0.3543794119662806,0.42688986361455694,0.0810345418408608,0.11000788157083133,0.2430779247481324
EOS-2-32789,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4)n23)cc1,IKTGUPOHOQSRPJ-UHFFFAOYSA-N,2,1,0.375,62,3,423.423,5.601,5,0.379,0.81,1.0,0.3612929202933315,0.5388681378932219,0.9904478788294154,0.9823264341032143,0.7182338427797957
EOS-2-32790,COc1nnc(-c2nnc3cncc(OCc4cncs4)n23)cc1-c1noc(C)n1,MDVUXKCTANLFAY-UHFFFAOYSA-N,2,1,0.422,92,828,423.418,1.984,5,0.396,0.75,1.0,0.2978205743266397,0.13187924062778425,0.010537317524501405,0.0038208484682338427,0.1110144952367898
EOS-2-32791,Fc1cc(-c2cc[nH]n2)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,JEJRQFVZKLVKJC-UHFFFAOYSA-N,2,1,0.317,9,834,423.415,3.773,6,0.446,0.71,1.0,0.34057809608662876,0.4134226578027551,0.654478788294154,0.6705246384757727,0.5197510451648276
EOS-2-32792,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cc1,ATQCETJXDJIABB-UHFFFAOYSA-N,2,1,0.346,3,7,423.415,3.568,6,0.465,0.72,1.0,0.028262284970187103,0.1698392844904393,0.6162617366869988,0.6417911726406689,0.3640386196970735
EOS-2-32793,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)c1,ZGDTYDRLNVIIAQ-UHFFFAOYSA-N,2,1,0.311,3,289,423.415,3.568,6,0.465,0.67,1.0,0.04299739565485573,0.20998389418134467,0.4837828113220478,0.5629069289287917,0.32491775752176
EOS-2-32794,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c1,ZJQPGGAJEOFBRD-UHFFFAOYSA-N,2,1,0.322,3,7,423.415,3.568,6,0.465,0.71,1.0,0.022650949215269688,0.169847851415256,0.6043023096429305,0.6329758070043178,0.35744422931944353
EOS-2-32795,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,LBGJPABLTQWLLF-UHFFFAOYSA-N,2,1,0.308,3,7,423.415,3.568,6,0.465,0.64,1.0,0.035552737989171405,0.20509218011102734,0.5817370296758275,0.6127150298128984,0.35877424439723116
EOS-2-32796,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)s1,KXXSUACFEYWODR-UHFFFAOYSA-N,2,1,0.333,32,750,476.587,6.214,6,0.302,0.65,0.995,0.1608782811322048,0.28149201562607085,0.35686382016311424,0.4628281132204784,0.31551555753546706
EOS-2-32797,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccsc6)cs5)n34)cc2)sc1F,GFAUNFGKPSMWTN-UHFFFAOYSA-N,2,1,0.325,38,126,476.587,6.214,6,0.302,0.64,1.0,0.2570077445000343,0.3609759440751148,0.3605561647590981,0.3837896648619012,0.3405823795490371
EOS-2-32798,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnnc5)c4)n23)cc1,OXSMMUKEAJRPOG-UHFFFAOYSA-N,2,1,0.603,43,230,423.411,3.838,5,0.423,0.75,1.0,0.9613974367760949,0.9444606264135426,0.9158385306010555,0.8986361455691865,0.9300831848399698
EOS-2-32799,N#Cc1cc(F)cc(-c2nnc3cncc(OCc4cc(-c5ccccc5)ncn4)n23)c1,FCRBBUOAXLMEEE-UHFFFAOYSA-N,2,1,0.534,1,700,423.411,3.838,5,0.423,0.69,1.0,0.7246333356178466,0.7834538414090878,0.8029521622918238,0.7941367966554725,0.7762940339935577
EOS-2-32800,N#Cc1ccc(F)c(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cn2)c1,LTMSUOWQYWJIFU-UHFFFAOYSA-N,2,1,0.588,97,850,423.411,3.838,5,0.423,0.82,1.0,0.7778682064286204,0.837990884791995,0.8222791446782263,0.7985915975601399,0.8091824583647453
EOS-2-32801,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cn2)cc1,VMXOKAYHMQKPNF-UHFFFAOYSA-N,2,1,0.467,1,31,423.411,3.838,5,0.396,0.78,1.0,0.7834281406346378,0.8484253992186964,0.8112192447399081,0.7871033513809883,0.8075440339935577
EOS-2-32802,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,ADUCREKYFFEMEY-UHFFFAOYSA-N,2,1,0.333,30,317,423.411,4.438,6,0.417,0.82,1.0,0.03429340004112124,0.12153039544924954,0.5913662531697622,0.6705332054005894,0.3544308135151806
EOS-2-32803,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccncc5)n34)c2)cc1F,KGFWYZLHPVPAKU-UHFFFAOYSA-N,2,1,0.448,97,160,423.411,3.838,5,0.423,0.78,1.0,0.7062230141868275,0.6780806661640737,0.8743232129394832,0.8491878555273799,0.776953687204441
EOS-2-32804,N#Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)cn1,RVHKAIBIMNIQHH-UHFFFAOYSA-N,2,1,0.617,1,709,423.411,3.838,5,0.423,0.79,1.0,0.9644215612363786,0.9499006236721267,0.8331248714961278,0.8115190871084915,0.8897415358782812
EOS-2-32805,N#Cc1ccc(-c2cncc(COc3cncc4nnc(-c5cccc(F)c5)n34)c2)cn1,ZUDVEHAUTCTNJX-UHFFFAOYSA-N,2,1,0.523,97,91,423.411,3.838,5,0.423,0.76,1.0,0.8136179836885752,0.8042543348639573,0.8617126996093483,0.8357720512644781,0.8288392673565897
EOS-2-32806,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)nc5)c4)n23)cc1,OVKOGQDNYFKHJG-UHFFFAOYSA-N,2,1,0.549,97,91,423.411,3.838,5,0.396,0.71,1.0,0.9666746624631622,0.9074515112055377,0.8913285587005688,0.8643084778287986,0.9074408025495168
EOS-2-32807,N#Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(F)nc5)c4)n23)cc1,DTTWFXMZZIXDKS-UHFFFAOYSA-N,2,1,0.524,97,230,423.411,3.838,5,0.396,0.82,1.0,0.9682167089301624,0.9266328558700568,0.8715646631485162,0.8379309163182784,0.9010862860667535
EOS-2-32808,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2)cn1,ITEMZZJLRVQXQA-UHFFFAOYSA-N,2,1,0.536,1,31,423.411,3.838,5,0.396,0.78,1.0,0.8365002398738949,0.8379994517168118,0.8184240285107258,0.7779967103008704,0.8177301076005757
EOS-2-32809,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)nc2)cc1,BXXHFDLZMGTLOK-UHFFFAOYSA-N,2,1,0.427,97,348,423.411,3.838,5,0.423,0.83,1.0,0.8682663970940991,0.7919693646768556,0.8674611061613323,0.8527259954766637,0.8451057158522377
EOS-2-32810,N#Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)c4)n23)cc1,YUPPVOGNYIBCMY-UHFFFAOYSA-N,2,1,0.577,1,230,423.411,3.838,5,0.423,0.78,1.0,0.9733654307449798,0.9248852032074566,0.8168734151189089,0.7847474470564046,0.8749678740319374
EOS-2-32811,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)c1,RMHIUMNPMXLBAP-UHFFFAOYSA-N,2,1,0.549,43,613,423.411,3.838,5,0.423,0.75,1.0,0.9632821602357617,0.9173805770680556,0.8493934617229799,0.8238640257693098,0.8884800561990267
EOS-2-32812,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)c4)n23)cc1,CVUXRKHEOKKNTE-UHFFFAOYSA-N,2,1,0.595,97,230,423.411,3.838,5,0.423,0.76,1.0,0.977537523130697,0.9360993077924749,0.9148533342471387,0.8959975327256527,0.9311219244739909
EOS-2-32813,N#Cc1ccc(COc2cncc3nnc(-c4cncc(-c5cncc(F)c5)c4)n23)cc1,MAULUCJDETWOBE-UHFFFAOYSA-N,2,1,0.5,2,884,423.411,3.838,5,0.423,0.77,1.0,0.8570608594338976,0.7834624083339045,0.8913371256253855,0.8764221095195669,0.8520706257281886
EOS-2-32814,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)nc2)cc1,AOBNYJLEUQYGJQ-UHFFFAOYSA-N,2,1,0.438,97,992,423.411,3.838,5,0.396,0.81,1.0,0.8339729970529779,0.7577187992598177,0.8556558837639641,0.8317798642999109,0.8197818860941677
EOS-2-32815,Fc1ccoc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,SBSDYBUDMNPQKC-UHFFFAOYSA-N,2,1,0.351,9,556,423.411,4.643,6,0.444,0.66,1.0,0.3333304776917278,0.34146048934274553,0.7725224453430196,0.7730278939072031,0.5550853265711739
EOS-2-32816,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,CWCBTTASWKUUQC-UHFFFAOYSA-N,2,1,0.325,9,834,423.411,4.643,6,0.444,0.74,1.0,0.3382050579124118,0.3465749434582962,0.7770800493454869,0.7847560139812213,0.5616540161743541
EOS-2-32817,Fc1cc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)ccc1-c1cnco1,NNYZAQFFJZLORN-UHFFFAOYSA-N,2,1,0.341,30,668,423.411,4.438,6,0.417,0.72,1.0,0.08231958056336097,0.219955794667946,0.7493489137139332,0.7632358988417518,0.45371504694674797
EOS-2-32818,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)cc1,SKBWFDLFQQMSSU-UHFFFAOYSA-N,2,1,0.359,3,668,423.411,4.438,6,0.417,0.75,1.0,0.06797854842025906,0.2352049208416147,0.7862123912000548,0.7941453635802892,0.47088530601055445
EOS-2-32819,Fc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,XDXVAIOWMDPVIS-UHFFFAOYSA-N,2,1,0.321,69,30,423.411,4.643,6,0.444,0.74,1.0,0.3932818175587691,0.4268984305393736,0.8257059146048934,0.8198975395791926,0.6164459255705572
EOS-2-32820,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nn2)c1,BGJYYABOROLFRH-UHFFFAOYSA-N,2,1,0.326,3,783,423.411,4.438,6,0.417,0.72,1.0,0.0304982523473374,0.15819683366458775,0.6845658282502913,0.7451596874785826,0.4046051504351998
EOS-2-32821,Fc1cc(-c2nnc3cncc(-c4cccc(-n5cccn5)n4)n23)oc1-c1ccccc1,QMUMYTKDBVOIBN-UHFFFAOYSA-N,2,1,0.279,30,541,423.411,4.438,6,0.417,0.6,0.95,0.027062915495853608,0.08970426975532862,0.5188900692207525,0.5725104516482763,0.3020419265300528
EOS-2-32822,Fc1cc(-c2cc[nH]n2)ccc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,NAXFGHHHBPACFZ-UHFFFAOYSA-N,2,1,0.325,69,38,423.411,4.643,6,0.444,0.78,1.0,0.372806867246933,0.43607360701802483,0.8150058255088753,0.8160766911109588,0.609990747721198
EOS-2-32823,Cc1onc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3cnnc4ccccc34)n12,LDQNJDQSHCNUJK-UHFFFAOYSA-N,2,1,0.314,3,693,423.411,4.504,6,0.413,0.75,0.965,0.24131313823589884,0.3657220204235488,0.4837913782468645,0.612723596737715,0.4258875334110068
EOS-2-32824,FC(F)Oc1cccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)c1,RWCIUIXQQFAKIN-UHFFFAOYSA-N,2,1,0.402,96,121,423.408,3.973,5,0.422,0.79,1.0,0.25991193201288465,0.43148173531629086,0.7770886162703036,0.7632444657665685,0.5579316873415119
EOS-2-32825,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cscc5F)n34)ccn2)cn1,OZMQHFBRRNPMRF-UHFFFAOYSA-N,2,1,0.482,55,99,423.408,3.562,5,0.427,0.68,1.0,0.7634500719621684,0.6830066479336577,0.6305685011308341,0.6062641354259475,0.6708223391131518
EOS-2-32826,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)c(F)c1,YORQFNDTVQRRFN-UHFFFAOYSA-N,2,1,0.455,44,488,423.408,3.562,5,0.427,0.55,0.982,0.5627355904324584,0.5343191008155712,0.5944674799533959,0.6361712699609349,0.5819233602905901
EOS-2-32827,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)ns1,LJSOYGNGFLMGGW-UHFFFAOYSA-N,2,1,0.477,13,110,423.408,4.084,5,0.43,0.74,1.0,0.5265317661572202,0.6585223768076212,0.4734253992186965,0.5063994928380509,0.5412197587553972
EOS-2-32828,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cc1F,UPRRYPYJIVLCLU-UHFFFAOYSA-N,2,1,0.455,44,488,423.408,3.562,5,0.427,0.54,0.999,0.562744157357275,0.5159601809334521,0.6278185182646837,0.6505123021040368,0.5892587896648619
EOS-2-32829,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5sncc5F)n34)ncn2)c1,NFKFKAXKWYNZJW-UHFFFAOYSA-N,2,1,0.433,44,488,423.408,3.562,5,0.427,0.66,0.962,0.5627527242820917,0.5253495305325201,0.49740422178054966,0.572519018573093,0.5395063737920636
EOS-2-32830,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccnc(-c5csnn5)c4)n23)cc1,SUWZENIWQGHFDY-UHFFFAOYSA-N,2,1,0.487,96,121,423.408,3.973,5,0.422,0.78,1.0,0.262661914879035,0.4446747995339593,0.7879172092385717,0.7754266328558701,0.567670139126859
EOS-2-32831,Fc1cccc(-c2nnc3cncc(OCc4ccc(-c5nncs5)nc4)n23)c1F,NWYUSYSJJPSGSE-UHFFFAOYSA-N,2,1,0.506,59,389,423.408,3.562,5,0.427,0.7,1.0,0.7602974436296347,0.7747070111712699,0.6162703036118155,0.6213590569529162,0.6931584538414091
EOS-2-32832,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)cc1,OOQNJUSFAQJYQT-UHFFFAOYSA-N,2,1,0.5,96,121,423.408,3.973,5,0.422,0.78,1.0,0.3079638133095744,0.4360821739428415,0.7901360427660887,0.7730364608320197,0.5768046227126311
EOS-2-32833,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5sncc5F)n34)cn2)n1,FFZSUAIWPSQPSF-UHFFFAOYSA-N,2,1,0.471,55,283,423.408,3.562,5,0.399,0.66,1.0,0.7092043040230279,0.6830152148584744,0.47010999931464603,0.4931978616955658,0.5888818449729285
EOS-2-32834,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)s5)n34)ncn2)c1,CSANSMWHVGTWOK-UHFFFAOYSA-N,2,1,0.435,46,395,423.408,3.562,5,0.427,0.63,0.764,0.6279384552121171,0.5435885134672058,0.6010897128366801,0.609348228359948,0.5954912274689877
EOS-2-32835,Fc1cc(F)cc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nc4)n23)c1,UAWVFHUJGLVNNM-UHFFFAOYSA-N,2,1,0.549,59,389,423.408,3.562,5,0.427,0.69,1.0,0.4611232951819615,0.5159687478582689,0.6575371804537044,0.6734031252141731,0.577008087177027
EOS-2-32836,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nncs5)nc4)n23)cc1F,JQXHTJCVHJIKGR-UHFFFAOYSA-N,2,1,0.658,59,294,423.408,3.562,5,0.427,0.75,1.0,0.8505328627235967,0.8484339661435131,0.6710386539647728,0.6705417723254061,0.7601368137893223
EOS-2-32837,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)cnc1F,QYRUBQYCZZEKDD-UHFFFAOYSA-N,2,1,0.46,55,879,423.408,3.562,5,0.399,0.67,1.0,0.6422537865807689,0.6634140908779385,0.6221729148104996,0.6029573024467137,0.6326995236789802
EOS-2-32838,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)s4)n23)c(F)c1,RMAJAPKUDPIXBB-UHFFFAOYSA-N,2,1,0.517,34,389,423.408,3.562,5,0.427,0.65,1.0,0.6880268658762251,0.7789562058803372,0.4766808306490302,0.5335480775820711,0.619302994996916
EOS-2-32839,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)s1,NBYCBXCNFGFSBQ-UHFFFAOYSA-N,2,1,0.556,73,817,423.408,3.562,5,0.427,0.54,1.0,0.6880354328010417,0.683023781783291,0.6191916249742992,0.6241604413679666,0.6536028202316496
EOS-2-32840,Fc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,QJAPAKNGGMEBCA-UHFFFAOYSA-N,2,1,0.382,69,484,423.407,5.512,6,0.372,0.79,1.0,0.4127630045918717,0.479859159756014,0.8631519429785485,0.8577376464944144,0.6533779384552121
EOS-2-32841,Fc1cc(-c2ccco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,CCELLFZMKPGFOB-UHFFFAOYSA-N,2,1,0.342,69,484,423.407,5.512,6,0.372,0.76,1.0,0.4381468028236584,0.4666489616887122,0.892613597423069,0.8890411897745185,0.6716126379274896
EOS-2-32842,Cn1nnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n1,AWKNOOGIUOBUHV-UHFFFAOYSA-N,2,1,0.289,98,866,423.404,1.224,6,0.437,0.63,1.0,0.10889418134466453,0.07272462476869303,0.020817627304502775,0.020192241792886027,0.05565716880268659
EOS-2-32843,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n1,ZYBKDJDMSXWBMX-UHFFFAOYSA-N,2,1,0.293,98,167,423.404,1.224,6,0.437,0.64,1.0,0.09880234391062984,0.0727331916935097,0.02467274347200329,0.02693441162360359,0.0557856726749366
EOS-2-32844,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cn1,LUCXZHOVWOZSDQ-UHFFFAOYSA-N,2,1,0.286,98,866,423.404,1.224,6,0.437,0.73,1.0,0.11439414707696526,0.11814646014666576,0.036563635117538205,0.04858303063532315,0.07942181824412309
EOS-2-32845,Cn1nccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4)n23)cn1,SVVMGBXBYBMKIK-UHFFFAOYSA-N,2,1,0.282,99,286,423.404,1.224,6,0.437,0.68,1.0,0.0940477006373792,0.10228908231101363,0.04213213624837228,0.0407699952025221,0.0698097285998218
EOS-2-32846,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cn4)n23)n1,KEYJDJPDWRWXKV-UHFFFAOYSA-N,2,1,0.298,76,601,423.4,2.094,6,0.414,0.66,0.999,0.06252141731204167,0.03580974573367144,0.04214070317318895,0.055188129668974024,0.04891499897196902
EOS-2-32847,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccon5)nc4)n23)cn1,QCMXGRVANVIXCE-UHFFFAOYSA-N,2,1,0.305,86,812,423.4,2.094,6,0.414,0.68,1.0,0.12229285175793297,0.05741553012130766,0.05247241450209033,0.056601672263724215,0.0721956171612638
EOS-2-32848,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)cn1,YTILNEKPNFMUFL-UHFFFAOYSA-N,2,1,0.286,70,719,423.4,2.094,6,0.414,0.62,0.977,0.06588821876499212,0.05742409704612432,0.08833356178466177,0.09137482009457885,0.07575517442258926
EOS-2-32849,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cn2)nn1,WSMZLSWFCYIGDK-UHFFFAOYSA-N,2,1,0.289,70,968,423.4,2.094,6,0.414,0.64,1.0,0.07583441847714345,0.06538277020080872,0.08834212870947844,0.087579672400795,0.07928474744705641
EOS-2-32850,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)no1,FRZZXSULHMYHNE-UHFFFAOYSA-N,2,1,0.293,98,213,423.4,2.094,6,0.414,0.7,1.0,0.08666301144541155,0.07630559934206017,0.07444657665684326,0.110016448495648,0.08685790898499074
EOS-2-32851,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5nnco5)c4)n23)cc1,KQAGRKRXQUYRFZ-UHFFFAOYSA-N,2,1,0.297,98,890,423.4,2.094,6,0.414,0.6,1.0,0.11440271400178192,0.04629566170927284,0.09766294291001303,0.11002501542046467,0.09209658351038312
EOS-2-32852,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)c2)o1,XNWSWSSVQFJDGQ-UHFFFAOYSA-N,2,1,0.286,98,424,423.4,2.392,6,0.448,0.71,1.0,0.1635340278253718,0.16985641834007265,0.12487149612774999,0.12612226715098349,0.14609605236104448
EOS-2-32853,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)nc5)n34)cc2)no1,FJOWQLJBUAPIJB-UHFFFAOYSA-N,2,1,0.287,98,727,423.4,2.392,6,0.448,0.76,1.0,0.2082448084435611,0.20060311150709342,0.08354465081214447,0.08758823932561167,0.14499520252210266
EOS-2-32854,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnco6)nc5)n34)c2)nn1,IDYNCFFZLOKGII-UHFFFAOYSA-N,2,1,0.27,70,719,423.4,2.094,6,0.414,0.7,0.77,0.04895140840243986,0.024878349667603317,0.1192772942224659,0.12176170241929957,0.07871718867795216
EOS-2-32855,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)c2)o1,VLUDKYOXKUVVJP-UHFFFAOYSA-N,2,1,0.329,42,762,423.396,3.262,6,0.416,0.7,1.0,0.227511822356247,0.12153896237406621,0.1936039339318758,0.1837862380919745,0.18161023918854088
EOS-2-32856,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnco6)ncn5)n34)cc2)o1,YHPGGZGHDUNANT-UHFFFAOYSA-N,2,1,0.295,38,303,423.396,3.262,6,0.416,0.7,1.0,0.18018812966897402,0.11210677815091495,0.21437872661229526,0.18931190459872524,0.17399638475772738
EOS-2-32857,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccon6)cn5)n34)cc2)n1,PJPBXTHBFPDNEK-UHFFFAOYSA-N,2,1,0.329,38,167,423.396,3.262,6,0.416,0.67,1.0,0.2053149201562607,0.16986498526488933,0.15181447467617024,0.14391576999520253,0.1677275375231307
EOS-2-32858,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cc2)n1,CONQIXLBNCGDKG-UHFFFAOYSA-N,2,1,0.307,38,725,423.396,3.262,6,0.416,0.62,1.0,0.18311801795627441,0.12863237612226716,0.17055033925022273,0.15155746693167021,0.15846455006510862
EOS-2-32859,CC(C)Oc1cc(F)c(C(F)(F)F)cc1-c1nnc2cncc(-c3cncs3)n12,IUJHQAUMTPSNOP-UHFFFAOYSA-N,2,1,0.361,68,861,423.395,4.86,4,0.439,0.69,1.0,0.4544496607497773,0.5766568432595436,0.9894883832499486,0.9596155164142279,0.7450526009183744
EOS-2-32860,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(F)c(F)c4)n23)n(C)n1,WJJPNBJTDPIAIF-UHFFFAOYSA-N,2,1,0.467,36,292,423.387,2.874,5,0.428,0.64,1.0,0.5340620930710712,0.6106846686313481,0.24301795627441575,0.2769858131725036,0.41618763278733467
EOS-2-32861,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(F)cc4F)n23)n(C)n1,AAOXPCLKHGWLIN-UHFFFAOYSA-N,2,1,0.462,36,292,423.387,2.874,5,0.428,0.6,1.0,0.4290744294428072,0.5623243780412583,0.20769652525529436,0.2531354944829004,0.36305770680556504
EOS-2-32862,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4cc(F)cc(F)c4)n23)n(C)n1,OPFDIKXRBJDRIA-UHFFFAOYSA-N,2,1,0.449,36,292,423.387,2.874,5,0.428,0.61,1.0,0.43560242615310807,0.47986772668083066,0.20408984990747722,0.24996573230073332,0.3423814337605373
EOS-2-32863,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)o2)n1C,HZVAFFHNRRHRMO-UHFFFAOYSA-N,2,1,0.507,61,121,423.383,3.757,5,0.425,0.78,1.0,0.444811870331026,0.4489496950174765,0.5188986361455692,0.49641902542663285,0.47726980673017616
EOS-2-32864,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)on1,MDQYNBDDOUABSR-UHFFFAOYSA-N,2,1,0.536,27,51,423.383,3.696,5,0.411,0.72,0.999,0.7746984442464533,0.5343276677403879,0.6517373723528203,0.5725275854979097,0.6333227674593928
EOS-2-32865,COc1nnc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)n1C,NXNHMCSNYZBFPR-UHFFFAOYSA-N,2,1,0.482,36,404,423.368,1.696,5,0.397,0.65,1.0,0.6335240901925845,0.4885888561441985,0.03788294153930505,0.03178329106983757,0.2979447947364814
EOS-2-32866,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)n1,SDAHXBNSHHENHO-UHFFFAOYSA-N,2,1,0.36,61,542,423.362,3.063,5,0.44,0.83,1.0,0.2840877938455212,0.36573058734836544,0.8314371873072441,0.7553457610856007,0.5591503323966829
EOS-2-32867,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(C(F)F)c5)n34)cn2)n1,GTMMJDQWBCBIMC-UHFFFAOYSA-N,2,1,0.337,22,649,423.362,3.121,5,0.438,0.76,1.0,0.2245905009937633,0.39428414776231924,0.6873158111164417,0.6854310876567747,0.4979053868823248
EOS-2-32868,Cn1nncc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1F,ZMUPOSJAFXZUBQ-UHFFFAOYSA-N,2,1,0.494,13,145,423.358,3.796,5,0.437,0.74,1.0,0.5468439448975396,0.6879925981769583,0.8808169419505174,0.8834983894181344,0.7497879686107874
EOS-2-32869,Fc1cc(F)c(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)c(F)c1,SMDRRMVIUWJZDR-UHFFFAOYSA-N,2,1,0.512,59,772,423.358,3.368,5,0.431,0.72,1.0,0.42908299636762387,0.4933092317181824,0.815014392433692,0.7986001644849565,0.6340016962511137
EOS-2-32870,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1F,NTVVKLVCCJSDSM-UHFFFAOYSA-N,2,1,0.575,47,178,423.358,3.573,5,0.435,0.65,1.0,0.9504489068603934,0.8380080186416284,0.9138767048180385,0.8944469193338359,0.8991951374134741
EOS-2-32871,Fc1cc(F)cc(-c2nnc3cncc(OCc4cnn(-c5cccc(F)c5)n4)n23)c1,HTNGFGFTEJXLQX-UHFFFAOYSA-N,2,1,0.612,34,612,423.358,3.368,5,0.431,0.73,1.0,0.2867778082379549,0.4752758549790967,0.7393084778287986,0.7941539305051059,0.573879017887739
EOS-2-32872,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)nc1,ILPRODLBTQLZPK-UHFFFAOYSA-N,2,1,0.385,13,412,423.358,3.796,5,0.409,0.72,1.0,0.6636967993968885,0.7213008018641628,0.8412377492975122,0.7941624974299225,0.7550994619971215
EOS-2-32873,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nc2F)n1,RIVOGTNDCWTNOW-UHFFFAOYSA-N,2,1,0.407,13,251,423.358,3.796,5,0.409,0.68,1.0,0.4403399355767254,0.5343362346652045,0.8112278116647248,0.7964327325063395,0.6455841786032486
EOS-2-32874,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)c(F)c1,LAGMZTAFRJSHHQ-UHFFFAOYSA-N,2,1,0.494,34,526,423.358,3.573,5,0.465,0.66,1.0,0.797503598108423,0.7577273661846343,0.8570865602083476,0.8558529230347475,0.817042611884038
EOS-2-32875,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)nc2)cn1,LPPDXNPNNGUZLF-UHFFFAOYSA-N,2,1,0.404,13,412,423.358,3.796,5,0.409,0.77,1.0,0.5365893358919882,0.6106932355561647,0.9041532451511205,0.8594081968336645,0.7277110033582345
EOS-2-32876,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,MXMLZDNLGFIOGT-UHFFFAOYSA-N,2,1,0.481,96,121,423.358,3.984,5,0.46,0.76,1.0,0.5627612912069083,0.7213093687889796,0.9361164416421082,0.9243283530943732,0.7861288636830923
EOS-2-32877,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5nncn5C(F)F)cc4)n23)c1,OAZOUXMAJGECMF-UHFFFAOYSA-N,2,1,0.68,67,15,423.358,4.376,5,0.417,0.77,1.0,0.5739239942430265,0.7834709752587211,0.8937187307244192,0.8807312727023507,0.7829612432321295
EOS-2-32878,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nn1,RQUDKTXAWPUEEU-UHFFFAOYSA-N,2,1,0.484,96,121,423.358,3.78,5,0.428,0.73,1.0,0.1144112809265986,0.552815091494757,0.8867966554725516,0.8972825714481529,0.612826399835515
EOS-2-32879,Cn1cc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)c2)cn1,YUAJOSBPMVLBRX-UHFFFAOYSA-N,2,1,0.465,13,995,423.358,3.796,5,0.409,0.71,1.0,0.46113186210677815,0.5207747926804195,0.9216040710026728,0.8890497566993352,0.6981401206223015
EOS-2-32880,Cn1cc(-c2cnc(F)c(Oc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)cn1,ZYBRUQHCXBYCNJ-UHFFFAOYSA-N,2,1,0.494,13,995,423.358,3.796,5,0.409,0.69,1.0,0.62497429922555,0.7401309026111987,0.912034815982455,0.8792577616338839,0.789099444863272
EOS-2-32881,Cn1nc(-c2ccc(F)nc2)cc1Oc1cncc2nnc(-c3cc(F)cc(F)c3)n12,ADSCQGQHJWFSJH-UHFFFAOYSA-N,2,1,0.453,13,706,423.358,3.796,5,0.409,0.71,1.0,0.4956908368172161,0.615739154273182,0.8277362757864437,0.8138749914330752,0.6882603145774793
EOS-2-32882,Fc1ccc(-n2ncnc2COc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1,KEXQVSYQFYNVAK-UHFFFAOYSA-N,2,1,0.529,34,612,423.358,3.368,5,0.431,0.72,1.0,0.5109399629908848,0.5871256253855116,0.744585703515866,0.8049996573230074,0.6619127373038174
EOS-2-32883,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cc2)o1,NJZRCBZDRBBCDQ-UHFFFAOYSA-N,2,1,0.515,96,121,423.358,4.231,5,0.429,0.82,1.0,0.3705023644712494,0.47528442190391335,0.8975053114933863,0.784764580906038,0.6320141696936468
EOS-2-32884,Cn1ncnc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1F,ZOOXEBWNZZOACZ-UHFFFAOYSA-N,2,1,0.5,13,145,423.358,3.796,5,0.437,0.79,1.0,0.6027773970255637,0.697621821670893,0.8365430744979782,0.8436878897950791,0.7451575457473785
EOS-2-32885,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)nc4)n23)c(F)c1F,QUKJSURDZXBVLE-UHFFFAOYSA-N,2,1,0.494,73,772,423.358,3.368,5,0.403,0.66,1.0,0.5008481255568501,0.562332944966075,0.8901034884517853,0.8542423411692139,0.701881725035981
EOS-2-32886,FC(F)(F)Oc1ccccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,DMUUVFNBMKESMU-UHFFFAOYSA-N,2,1,0.39,61,121,423.358,4.142,5,0.467,0.73,1.0,0.4683794805016791,0.5113511753820849,0.9565656911794942,0.9179545610307724,0.7135627270235076
EOS-2-32887,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)cc1F,MGURAADVPGJTMR-UHFFFAOYSA-N,2,1,0.506,59,469,423.358,3.573,5,0.465,0.59,1.0,0.8030635323144404,0.7747155780960866,0.8926221643478857,0.8820934137482009,0.8381236721266534
EOS-2-32888,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)ccc1OC(F)F,GHAHRIXGJHPMGK-UHFFFAOYSA-N,2,1,0.418,96,558,423.354,4.854,5,0.402,0.79,1.0,0.7890052086902886,0.8777928174902337,0.9733054622712631,0.9631879240627784,0.900822853128641
EOS-2-32889,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCc5nc(F)ccc5F)n34)c2)o1,YGAZRHUXXPIZSK-UHFFFAOYSA-N,2,1,0.406,2,422,423.343,1.901,5,0.408,0.57,1.0,0.4636162703036118,0.4180573641285724,0.3642999109039819,0.31970906723322595,0.39142065314234803
EOS-2-32890,FC(F)c1ccc(-c2nnc3cncc(OCc4noc(-c5ncccn5)n4)n23)cn1,VSGFUQGCEFFPJV-UHFFFAOYSA-N,2,1,0.438,51,242,423.343,2.543,5,0.401,0.64,0.997,0.5058340758001508,0.4982180796381331,0.1835977657460078,0.1593876362141046,0.3367593893495991
EOS-2-32891,FC(F)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nnco5)c4)n23)cn1,GSMRLGQQYBQVKW-UHFFFAOYSA-N,2,1,0.477,53,226,423.343,2.543,5,0.401,0.66,0.667,0.6938095401274759,0.5485573298608731,0.4417534781714756,0.3580717565622644,0.5105480261805222
EOS-2-32892,COc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ncon1,XPWBHAYMQLLFHT-UHFFFAOYSA-N,2,1,0.438,13,971,423.339,3.315,5,0.42,0.63,1.0,0.6759989034336235,0.5207833596052361,0.4837999451716812,0.43457439517510793,0.5287891508464122
EOS-2-32893,COc1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1nnco1,XBTQUGCVTVPPJO-UHFFFAOYSA-N,2,1,0.523,13,573,423.339,3.315,5,0.42,0.65,1.0,0.8159824549379755,0.5577496401891577,0.535458501816188,0.47516448495648,0.5960887704749502
EOS-2-32894,O=c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cc2)[nH]o1,MEYYNIXIGBCSRF-UHFFFAOYSA-N,2,1,0.483,4,526,423.339,2.387,5,0.457,0.74,1.0,0.5132958673154684,0.42246076348433964,0.5218970598314029,0.49320642862038244,0.4877150298128984
EOS-2-32895,COc1nc(-c2nnc3cncc(Oc4cc(F)ccc4F)n23)ccc1-c1nnco1,FKEIYLJPADXPGN-UHFFFAOYSA-N,2,1,0.419,13,251,423.339,3.315,5,0.42,0.62,0.998,0.6999605921458433,0.5577582071139744,0.5116767185251182,0.4564885888561442,0.5564710266602699
EOS-2-32896,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5c(F)ccc(F)c5F)n34)cn2)cn1,ZHFXTDCARAQGEK-UHFFFAOYSA-N,2,1,0.347,45,575,423.333,3.867,5,0.249,0.59,1.0,0.3453070385854294,0.5819769035706943,0.9268898636145569,0.9366390240559249,0.6977032074566514
EOS-2-32897,Clc1ccc(-c2nnc3cncc(-c4cscc4-c4ccccc4)n23)c(Cl)c1,IVWVPTVEMXBELZ-UHFFFAOYSA-N,2,1,0.432,96,46,423.328,6.494,5,0.333,0.79,1.0,0.2678020697690357,0.5113597423069015,0.9381982043725584,0.9765694606264136,0.6734823692687273
EOS-2-32898,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5csc(Cl)c5)cc4)n23)cc1,YXRZQKBZVRKALU-UHFFFAOYSA-N,2,1,0.484,83,558,423.328,6.494,5,0.333,0.84,1.0,0.34531560551024604,0.6488074840655198,0.9608063189637448,0.9832088273593311,0.7345345589747104
EOS-2-32899,Fc1ccc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cn4)n23)c(F)c1,MCDORTDRBLAGEC-UHFFFAOYSA-N,2,1,0.595,90,255,423.301,3.942,4,0.453,0.67,1.0,0.9356452607771915,0.9731683914741964,0.9926924131313823,0.984425330683298,0.971482849016517
EOS-2-32900,Fc1ccc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cn4)n23)cc1F,STIPUJCTONJJET-UHFFFAOYSA-N,2,1,0.615,90,255,423.301,3.942,4,0.453,0.77,1.0,0.9564885888561442,0.9796021520115139,0.9939089164553492,0.9865927626619149,0.9791481049962305
EOS-2-32901,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cc(Cl)ccc5Cl)n34)cc2)n1,XIMSCTQQLZDYRE-UHFFFAOYSA-N,2,1,0.408,61,917,423.267,3.956,5,0.437,0.8,1.0,0.25701631142485093,0.3755311493386334,0.5881193886642451,0.7451682544033994,0.4914587759577822
EOS-2-32902,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1,WYPZFAHQFIJHJV-UHFFFAOYSA-N,2,1,0.393,61,917,423.267,3.956,5,0.437,0.83,1.0,0.15013535741210335,0.4578421629771777,0.5456531423480228,0.7502912754437667,0.47598048454526765
EOS-2-32903,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(Cl)cc(Cl)n4)n23)cc1,HFMZUJIFPGSCLX-UHFFFAOYSA-N,2,1,0.38,22,890,423.267,3.956,5,0.409,0.75,1.0,0.19153930505105887,0.28150058255088756,0.5456617092728394,0.679391405661024,0.42452325063395246
EOS-2-32904,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,JOEBCQAFGBFAAB-UHFFFAOYSA-N,2,1,0.449,22,311,423.267,3.956,5,0.409,0.74,1.0,0.20825337536837776,0.47529298882873006,0.2869405798094716,0.5629154958536083,0.3833506099650469
EOS-2-32905,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)nc(Cl)n1,SFXBNKUATFFHSO-UHFFFAOYSA-N,2,1,0.429,22,140,423.263,5.124,5,0.375,0.74,1.0,0.33333904461654446,0.581985470495511,0.7240165170310465,0.7986087314097732,0.6094874408882187
EOS-2-32906,Cc1c(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)ccc(Cl)c1Cl,OEIXJIYVZRTIQQ-UHFFFAOYSA-N,2,1,0.329,96,340,423.263,5.124,5,0.401,0.77,1.0,0.3184754300596258,0.5025443766705503,0.8511154136111302,0.8930933452128024,0.6413071413885272
EOS-2-32907,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)[nH]2)c(Cl)c1,VYRJZLQZRPHHDP-UHFFFAOYSA-N,2,1,0.461,34,146,476.776,6.387,5,0.319,0.61,1.0,0.6541960797752039,0.712322664656295,0.9382067712973751,0.9698529915701459,0.8186446268247549
EOS-2-32908,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cc(F)c(Cl)cc5F)n4)n23)cc1F,GVHAYWMYDKIHTD-UHFFFAOYSA-N,2,1,0.524,59,756,476.777,4.63,5,0.27,0.66,1.0,0.8617384003837982,0.8513981221300801,0.9367503940785415,0.9545096292234939,0.9010991364539785
EOS-2-32909,Fc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)c(OC(F)F)c5)n34)nn2)c1F,HHCYYWWTEIXCDA-UHFFFAOYSA-N,2,1,0.398,22,844,476.781,3.967,5,0.354,0.63,1.0,0.11441984785141526,0.5435970803920225,0.9148619011719553,0.9357309300253581,0.6271524398601878
EOS-2-32910,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ncc(F)c(Cl)n3)n12,PIHQZBMCPOIVJO-UHFFFAOYSA-N,2,1,0.649,90,281,423.21,3.788,4,0.455,0.68,1.0,0.9414022342539922,0.9731769583990131,0.7608628606675348,0.8707765060653828,0.8865546398464808
EOS-2-32911,FC(F)c1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1Cl,SECDDOYYZUNMOW-UHFFFAOYSA-N,2,1,0.519,68,255,423.21,4.405,4,0.474,0.66,1.0,0.8365088067987115,0.9467051607155096,0.9521280241244603,0.9545181961483106,0.922465046946748
EOS-2-32912,COc1cc(Cl)c(F)cc1-c1nnc2cncc(Oc3ccc(Cl)cc3F)n12,HENBEYNZPQDLQY-UHFFFAOYSA-N,2,1,0.5,23,254,423.206,5.177,4,0.453,0.82,1.0,0.9112038242752382,0.8961346035227195,0.9841768898636145,0.9862929202933315,0.9444520594887259
EOS-2-32913,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)c(F)cc1Cl,REUMSNNPKSSGRM-UHFFFAOYSA-N,2,1,0.308,3,783,476.834,4.626,6,0.342,0.76,1.0,0.13874134740593516,0.3364659721746282,0.8541138372969639,0.8890583236241518,0.5545948701254197
EOS-2-32914,O=C(OCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1)C(F)(F)F,MVCDRKFUQTUHRK-UHFFFAOYSA-N,2,1,0.753,48,240,476.842,4.672,4,0.361,0.82,1.0,0.9737766431361798,0.9693389760811459,0.967582756493729,0.9340089781372078,0.9611768384620656
EOS-2-32916,CCn1nncc1-c1ccc(-c2nnc3cncc(OCc4cnnc(C#N)c4Cl)n23)c(F)c1,YTRGGUZMBCSBPS-UHFFFAOYSA-N,2,1,0.429,36,79,476.863,3.103,5,0.362,0.58,1.0,0.3867024192995682,0.5917945994105955,0.4014546638338702,0.46283668014529505,0.4606970906723322
EOS-2-32917,Cn1nc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)cc1-c1cncc(C#N)n1,RRKOQMDIOQOELD-UHFFFAOYSA-N,2,1,0.375,31,569,476.863,2.662,5,0.362,0.44,1.0,0.5058426427249675,0.4578507299019944,0.27588067987115344,0.3451699677883627,0.3961860050716195
EOS-2-32918,Cn1nc(-c2nn[nH]n2)cc1-c1cc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n(C)n1,DCKXOLBLGNKVRW-UHFFFAOYSA-N,2,1,0.358,22,844,476.867,2.565,6,0.41,0.63,1.0,0.22459906791857995,0.40402474127887056,0.20409841683229388,0.307432663970941,0.28503872250017137
EOS-2-32919,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)n5C(F)F)cc4)n23)c1,STYNSJAZMLDQHI-UHFFFAOYSA-N,2,1,0.548,1,138,476.874,5.759,5,0.311,0.65,1.0,0.9405369748475088,0.9248937701322734,0.9846223699540813,0.9795935850866972,0.9574116750051401
EOS-2-32920,CCOC(=O)c1coc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)n1,PIGANSAOPQNZPV-UHFFFAOYSA-N,2,1,0.484,1,31,476.88,4.25,5,0.251,0.73,1.0,0.5685096977588925,0.5436056473168391,0.29037591666095536,0.23553046398464808,0.4095054314303338
EOS-2-32921,COc1nc(OC)nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)n1,RNKBMKCASADOBU-UHFFFAOYSA-N,2,1,0.55,16,19,476.884,3.288,5,0.345,0.72,1.0,0.8527602631759303,0.5819940374203276,0.23577890480433145,0.1539819066547872,0.45612877801384416
EOS-2-32922,COc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(OC)c5)n34)cnn2)cn1,QNDWZBYKIUMADK-UHFFFAOYSA-N,2,1,0.478,16,67,476.884,3.288,5,0.345,0.46,1.0,0.7603060105544514,0.7919779316016723,0.4594099102186279,0.32275032554314304,0.5836110444794737
EOS-2-32923,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2OC)cn1,CTOZTPSYCFMZME-UHFFFAOYSA-N,2,1,0.458,4,224,476.884,3.288,5,0.345,0.56,1.0,0.6364282777054349,0.5871341923103283,0.3718987732163663,0.24133883901034883,0.45920002056061954
EOS-2-32924,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)nc2OC)cn1,XDLRXVMAQDLGNS-UHFFFAOYSA-N,2,1,0.383,49,896,476.884,3.288,5,0.323,0.66,0.991,0.6542046467000205,0.502552943595367,0.34156329244054556,0.19207045438969228,0.42259783428140635
EOS-2-32925,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nc2OC)cn1,JUYKMGLSMVDWEU-UHFFFAOYSA-N,2,1,0.426,49,122,476.884,3.288,5,0.323,0.59,1.0,0.4908162565965321,0.4489582619422932,0.25025700774450005,0.15939620313892125,0.3373569323555617
EOS-2-32926,COc1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2OC)n1,RMKMQDPOFCIHPF-UHFFFAOYSA-N,2,1,0.409,49,62,476.884,3.288,5,0.345,0.64,1.0,0.6666523884586388,0.48859742306901516,0.305008224247824,0.21243403467891167,0.41817301761359743
EOS-2-32927,OCC(O)c1ncc(-c2ccc(-c3nnc4cncc(OCc5ncccc5Cl)n34)cn2)cn1,CVSCFSJAZXAUAN-UHFFFAOYSA-N,2,1,0.462,51,282,476.884,2.296,5,0.359,0.55,0.995,0.7307158522376808,0.7490576382701666,0.42336885751490644,0.3711106161332328,0.5685632410389967
EOS-2-32928,COCc1cc(=O)[nH]c(-c2ccc(-c3nnc4cncc(OCc5ccncc5Cl)n34)cn2)n1,FVEKAWNFBCRPOM-UHFFFAOYSA-N,2,1,0.424,55,879,476.884,2.71,5,0.376,0.62,0.964,0.47602974436296347,0.4886059899938318,0.3870193955177849,0.36162703036118155,0.42832054005894044
EOS-2-32929,Fc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cn5)n34)c(Cl)cn2)s1,XVXXMGQCMVSAIC-UHFFFAOYSA-N,2,1,0.264,70,151,476.888,3.949,6,0.405,0.58,0.32,0.17712973750942362,0.3414690562675622,0.27940168597080395,0.38379823178671785,0.2954496778836269
EOS-2-32930,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nc(=N)nc(C)[nH]1,OWRUWDAGQHRXSO-UHFFFAOYSA-N,2,1,0.419,36,224,476.888,2.395,5,0.376,0.57,1.0,0.4636248372284285,0.4709495579466795,0.1836063326708245,0.114916729490782,0.30827436433417865
EOS-2-32931,Oc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(Oc4ccccc4)c(F)c3)n12,PKJLIRTWIVYSOB-UHFFFAOYSA-N,2,1,0.593,79,590,476.895,5.703,5,0.324,0.76,1.0,0.9414108011788088,0.9579449660749777,0.9251936125008567,0.9191110958810226,0.9359151189089165
EOS-2-32932,COc1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cccc(Cl)c1,AQUPQBLIAKHZBN-UHFFFAOYSA-N,2,1,0.489,49,429,476.899,4.671,5,0.337,0.85,1.0,0.8593653622095813,0.757735933109451,0.7082191076691111,0.7076879583304777,0.7582520903296552
EOS-2-32933,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cc(F)cnc1C,VTSOBXALBVHNJJ-UHFFFAOYSA-N,2,1,0.495,16,83,476.899,4.937,5,0.343,0.69,1.0,0.9141251456377218,0.8236755534233432,0.8585086697279145,0.7895534918785553,0.8464657151668837
EOS-2-32934,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)nc1,OEZLUPSKSHOBEP-UHFFFAOYSA-N,2,1,0.562,11,669,476.899,4.671,5,0.315,0.75,1.0,0.962656774724145,0.9488040572955931,0.8297323692687273,0.778005277225687,0.8797996196285381
EOS-2-32935,COCCOc1ccc(Cl)c(-c2nnc3cncc(-c4cncc(-c5cncc(F)c5)c4)n23)c1,WDPVOVHPABBYQV-UHFFFAOYSA-N,2,1,0.308,82,859,476.899,4.733,5,0.314,0.7,1.0,0.4683880474264958,0.5436142142416558,0.8688318141319992,0.8625865259406483,0.6858551504351997
EOS-2-32936,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccc(F)cc1,UXZUMYONVLBYJT-UHFFFAOYSA-N,2,1,0.523,11,384,476.899,4.671,5,0.315,0.8,1.0,0.9222123226646562,0.8448187238708793,0.7240250839558632,0.702213693372627,0.7983174559660065
EOS-2-32937,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cnc(C)c(F)c1,ZDHAOJYNDVMREI-UHFFFAOYSA-N,2,1,0.462,97,83,476.899,4.937,5,0.321,0.65,1.0,0.8969484613803029,0.8197005003084092,0.8780755260091837,0.802840792269207,0.8493913199917756
EOS-2-32938,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)ccc1=O,HCOITUJXAFSPNH-UHFFFAOYSA-N,2,1,0.709,91,781,476.899,3.966,5,0.368,0.78,1.0,0.8268110479062436,0.8080837502570077,0.7561339181687341,0.7606315536974847,0.7879150675073675
EOS-2-32939,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4noc(C5CC5)n4)cc3)n12,GEDLJHGETWMZLB-UHFFFAOYSA-N,2,1,0.581,91,803,476.899,5.133,6,0.321,0.75,1.0,0.7246419025426633,0.8118960318004249,0.3493934617229799,0.5595829620999246,0.6113785895414983
EOS-2-32940,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)n[nH]c1=O,WGQMTYCJEHMYPF-UHFFFAOYSA-N,2,1,0.683,91,781,476.899,4.264,5,0.393,0.72,0.999,0.8767390857377836,0.8514066890548968,0.7989171407031732,0.8007247618394902,0.8319469193338358
EOS-2-32941,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cncc(OC)c1,OUBMORDBGXUAPP-UHFFFAOYSA-N,2,1,0.392,13,110,476.899,5.404,5,0.324,0.72,1.0,0.5882136248372284,0.6539904735796038,0.7656175039407854,0.7186279213213624,0.681612380919745
EOS-2-32942,COCCOc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)n1,JYPBEZICKLIPCW-UHFFFAOYSA-N,2,1,0.411,96,558,476.899,4.733,5,0.314,0.73,1.0,0.6511719553149201,0.8484425330683298,0.7608714275923515,0.7478240010965663,0.752077479268042
EOS-2-32943,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cnc(F)c(Cl)c1,SZRUEMZWRZBGAK-UHFFFAOYSA-N,2,1,0.589,11,103,476.899,4.671,5,0.315,0.68,1.0,0.9488040572955931,0.880337194160784,0.7965012679048729,0.7347851415255979,0.840106915221712
EOS-2-32944,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1cncnc1,CWZIEOITNJCFNU-UHFFFAOYSA-N,2,1,0.686,91,313,476.899,4.671,5,0.337,0.66,1.0,0.9666832293879789,0.9284233431567405,0.8937272976492359,0.8508327050921801,0.9099166438215339
EOS-2-32945,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cc2)cc1=O,KTWTUVBBGHAOHA-UHFFFAOYSA-N,2,1,0.605,91,883,476.899,3.966,5,0.368,0.7,1.0,0.6938181070522925,0.7259526420396134,0.7795301898430539,0.791806593105339,0.7477768830100747
EOS-2-32946,COc1ncccc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1F,CUFQWCRFXMBAFE-UHFFFAOYSA-N,2,1,0.505,11,848,476.899,4.671,5,0.315,0.71,1.0,0.9017716400520869,0.9284319100815571,0.7240336508806798,0.6825269001439244,0.8091910252895621
EOS-2-32947,COc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cccnc1,UDMQDHXRGXTNGT-UHFFFAOYSA-N,2,1,0.515,35,103,476.899,4.671,5,0.315,0.66,1.0,0.9519224179288602,0.9155986567061888,0.8365516414227949,0.7825114796792544,0.8716460489342747
EOS-2-32948,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cc2)cc1=O,WHIGETRFDJDZDH-UHFFFAOYSA-N,2,1,0.565,91,660,476.899,3.966,5,0.368,0.75,1.0,0.7246504694674799,0.7789647728051539,0.7879257761633884,0.805008224247824,0.7741373106709615
EOS-2-32949,OCc1cccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccc2F)n1,ZCYPUPSUNCRDJT-UHFFFAOYSA-N,2,1,0.516,11,275,476.899,4.155,5,0.376,0.63,1.0,0.8898893153313686,0.9074600781303543,0.7656260708656021,0.7780138441505038,0.8352473271194572
EOS-2-32950,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1-c1cnccn1,ABVWGCBZZHOBIB-UHFFFAOYSA-N,2,1,0.694,35,313,476.899,4.671,5,0.337,0.76,1.0,0.9600438626550614,0.9156072236310054,0.8631605099033651,0.8115276540333082,0.887584812555685
EOS-2-32951,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccc(F)nc1,LFMNAKFIZGPOTA-UHFFFAOYSA-N,2,1,0.563,35,111,476.899,4.671,5,0.315,0.65,1.0,0.9533530943732438,0.9284404770063738,0.8460266602700295,0.7918151600301556,0.8799088479199506
EOS-2-32952,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)cn1,AFFQCQOYXPDBBK-UHFFFAOYSA-N,2,1,0.588,35,111,476.899,4.671,5,0.315,0.75,1.0,0.9377013227331917,0.9402199986292921,0.8347268864368447,0.7780224110753204,0.8726676547186623
EOS-2-32953,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cccnc1F,LUWFRYOBEBBRQB-UHFFFAOYSA-N,2,1,0.534,35,103,476.899,4.671,5,0.315,0.71,1.0,0.9607120827907615,0.9266414227948736,0.8314457542320609,0.7708433280789527,0.8724106469741622
EOS-2-32954,CCOc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nc2)cn1,VSQRIGLUQVHXSS-UHFFFAOYSA-N,2,1,0.58,59,294,476.899,5.019,5,0.326,0.8,1.0,0.8315571242546775,0.8414604893427455,0.8475944075114796,0.7986172983345898,0.8298073298608732
EOS-2-32955,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)c(F)c3)n12,IWCVOOAINSSYBP-UHFFFAOYSA-N,2,1,0.667,11,360,476.899,4.671,5,0.337,0.67,1.0,0.9261616750051401,0.8721043794119663,0.7007744500034268,0.6619491467342883,0.7902474127887053
EOS-2-32956,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)ccc1-c1cccnc1,QPDLKMOIAPOCNZ-UHFFFAOYSA-N,2,1,0.495,49,703,476.899,4.671,5,0.337,0.81,1.0,0.8570694263587143,0.7577445000342677,0.7539664861901172,0.7186364882461792,0.7718542252073196
EOS-2-32957,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cc2)cc1=O,SIRLXPQTLZIVSQ-UHFFFAOYSA-N,2,1,0.581,91,803,476.899,3.966,5,0.368,0.72,1.0,0.7215321088342129,0.7665855664450689,0.7656346377904187,0.7847731478308546,0.7596313652251387
EOS-2-32958,COc1ccc(-c2nc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cn1,DUTVNUZYLLMAIH-UHFFFAOYSA-N,2,1,0.571,11,275,476.899,4.671,5,0.337,0.73,1.0,0.9386179836885752,0.9791738057706806,0.7134877664313618,0.6854396545815914,0.8291798026180522
EOS-2-32959,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1ccc(C)nc1,AWNQFAQTBGZTHM-UHFFFAOYSA-N,2,1,0.494,97,83,476.899,4.937,5,0.343,0.69,1.0,0.8136265506133918,0.8080923171818244,0.8314543211568776,0.7528699198135838,0.8015107771914194
EOS-2-32960,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccccc1F,COEUZDHKJOBHCS-UHFFFAOYSA-N,2,1,0.447,11,769,476.899,4.671,5,0.315,0.75,0.998,0.7778767733534371,0.744739908162566,0.6250171338496333,0.6270217942567337,0.6936639024055925
EOS-2-32961,COCc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)ncc1Cl,BAZSKGLMWVXSPM-UHFFFAOYSA-N,2,1,0.5,1,744,476.899,4.766,5,0.313,0.68,1.0,0.7215406757590296,0.8158453841409088,0.8793519978068672,0.8491964224521965,0.8164836200397505
EOS-2-32962,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)cc1=O,ATKSAZYPDGLRKH-UHFFFAOYSA-N,2,1,0.575,91,752,476.899,3.966,5,0.368,0.78,1.0,0.5941162360359126,0.5623415118908917,0.7583613186210678,0.7683332191076692,0.6707880714138853
EOS-2-32963,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)cc1=O,GFCWDKNFNDDJJF-UHFFFAOYSA-N,2,1,0.718,91,781,476.899,3.966,5,0.368,0.73,1.0,0.8159910218627922,0.7617966554725516,0.8067730107600576,0.8071156877527242,0.7979190939620313
EOS-2-32964,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1-c1ccccn1,WBDVFWWXDUAAQM-UHFFFAOYSA-N,2,1,0.593,49,703,476.899,4.671,5,0.337,0.74,0.998,0.9034250565417038,0.8042629017887739,0.7058632033445275,0.6705503392502228,0.771025375231307
EOS-2-32965,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1cccnn1,IPSGMRUZKDJQIB-UHFFFAOYSA-N,2,1,0.69,91,925,476.899,4.671,5,0.337,0.74,1.0,0.9661692138989788,0.9444691933383592,0.8570951271331643,0.8115362209581248,0.8948174388321568
EOS-2-32966,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1-c1cccnn1,YWMJNPGDVHDDPE-UHFFFAOYSA-N,2,1,0.69,91,925,476.899,4.671,5,0.337,0.77,1.0,0.9656209307107121,0.9455486258652595,0.8571036940579809,0.8115447878829415,0.8949545096292235
EOS-2-32967,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1ccccn1,BKUPGZDUGCFJDN-UHFFFAOYSA-N,2,1,0.479,49,703,476.899,4.671,5,0.337,0.72,0.999,0.857077993283531,0.8119045987252416,0.684574395175108,0.6675947501884724,0.7552879343430883
EOS-2-32968,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cc2)cc1=O,ADEXUJLKOMBUNY-UHFFFAOYSA-N,2,1,0.565,91,660,476.899,3.966,5,0.368,0.72,1.0,0.7276060585292303,0.7834795421835378,0.7879343430882051,0.8007333287643068,0.7749383181413199
EOS-2-32969,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ccc(Cl)cc1,JKUDZVZBDOZUIP-UHFFFAOYSA-N,2,1,0.448,11,275,476.899,4.671,5,0.337,0.8,0.998,0.8268196148310603,0.808100884106641,0.6767013912685902,0.6764186827496402,0.747010143238983
EOS-2-32970,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)ccc1-c1ccccn1,STLOKGYMPXCKDA-UHFFFAOYSA-N,2,1,0.511,49,703,476.899,4.671,5,0.337,0.75,1.0,0.8570865602083476,0.8042714687135906,0.6845829620999246,0.6587965184017545,0.7511843773559043
EOS-2-32971,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ccccc1Cl,KXVROVUGGKNVCT-UHFFFAOYSA-N,2,1,0.457,11,275,476.899,4.671,5,0.337,0.76,0.943,0.7975121650332396,0.7534182030018505,0.6544873552189706,0.6560294016859708,0.7153617812350079
EOS-2-32972,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1-c1cccnn1,OLZMDDHRGAVIQR-UHFFFAOYSA-N,2,1,0.536,91,313,476.899,4.671,5,0.337,0.68,1.0,0.9434754300596258,0.9477331916935097,0.842788362689329,0.8050167911726407,0.8847534439037763
EOS-2-32973,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1cncnc1,ILAGPKRKICQPOU-UHFFFAOYSA-N,2,1,0.534,88,313,476.899,4.671,5,0.337,0.64,1.0,0.9396460146665753,0.9389606606812418,0.8821362483722843,0.8492049893770133,0.9024869782742788
EOS-2-32974,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1cnccn1,PCEIVLDCYMLVMI-UHFFFAOYSA-N,2,1,0.54,35,313,476.899,4.671,5,0.337,0.71,1.0,0.9445377287368926,0.92490233705709,0.8494020286477966,0.8071242546775409,0.88149158727983
EOS-2-32975,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5cncc(CO)c5)c4)n23)c1Cl,MXWUVRCJZDTZGH-UHFFFAOYSA-N,2,1,0.468,97,253,476.899,4.421,5,0.387,0.67,1.0,0.8593739291343979,0.8637173600164485,0.9030481118497704,0.8764306764443835,0.8756425193612501
EOS-2-32976,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)nc(C)n2)cn1,VWUQPEZPNATADC-UHFFFAOYSA-N,2,1,0.424,44,500,476.903,4.069,5,0.338,0.68,1.0,0.7184223151257625,0.6976303885957097,0.4085652114317045,0.3905661023918854,0.5537960043862655
EOS-2-32977,CN(C)c1ccccc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)nn1,CIQGFDWKPROALN-UHFFFAOYSA-N,2,1,0.404,54,691,476.903,4.081,5,0.338,0.61,0.997,0.45892159550407785,0.3942927146871359,0.6010982797614968,0.4811870331025975,0.48387490576382697
EOS-2-32978,Fc1cc(-c2nnc3n2CCC3)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,YRYGOIAYOMKYKR-UHFFFAOYSA-N,2,1,0.485,37,639,476.903,3.805,6,0.344,0.67,1.0,0.6082687958330477,0.6157477211979988,0.03132067712973751,0.20638578575834418,0.36543074497978206
EOS-2-32979,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)c(CCl)n1,JYXPVLRCABQERI-UHFFFAOYSA-N,2,1,0.5,65,904,476.903,3.846,5,0.326,0.67,1.0,0.8003478171475568,0.8274278664930437,0.40146323075868684,0.3838067987115345,0.6032614282777055
EOS-2-32980,Cc1cnc(-c2nc(C)ncc2-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)nc1,SKAACAGQHYTDDR-UHFFFAOYSA-N,2,1,0.639,65,360,476.903,4.069,5,0.361,0.67,1.0,0.8861798368857515,0.8346069494894113,0.3943355493112192,0.4219210472208896,0.6342608457268178
EOS-2-32981,CCc1cncc(-c2nc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncc2F)c1,DPSBCRJYFVQAHT-UHFFFAOYSA-N,2,1,0.43,65,262,476.903,4.015,5,0.324,0.6,1.0,0.8365173737235282,0.7534267699266671,0.40147179768350355,0.42192961414570623,0.6033363888698513
EOS-2-32982,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nncn5C5CC5)cc4)n23)cnc1Cl,QZPIAEXGOBDEPG-UHFFFAOYSA-N,2,1,0.529,15,187,476.903,4.194,6,0.325,0.59,1.0,0.7918408608046056,0.6880011651017751,0.33794805016791174,0.5031611952573504,0.5802378178329107
EOS-2-32983,CN(C)c1nc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)ncc1F,LRNQPEDJTVDHGH-UHFFFAOYSA-N,2,1,0.413,46,560,476.903,4.081,5,0.362,0.73,1.0,0.4567198958261942,0.4839712836680145,0.35314577479268044,0.34517853471317933,0.40975387225001714
EOS-2-32984,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)n5)n34)cn2)c(C)n1,USZDQGDZUZJNQK-UHFFFAOYSA-N,2,1,0.485,87,579,476.903,4.069,5,0.338,0.68,1.0,0.8110222054691248,0.8778013844150504,0.4233774244397231,0.38710506476595163,0.6248265197724625
EOS-2-32985,Clc1ccc(Oc2cccnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,RQHZSLZIGNKKFE-UHFFFAOYSA-N,2,1,0.385,69,479,476.927,6.361,6,0.288,0.8,1.0,0.4736567061887465,0.557766774038791,0.8241638681378932,0.8542509080940306,0.6774595641148653
EOS-2-32986,Clc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccccc6)nc5)n34)cc2)cn1,AAMIFSAKJOALFN-UHFFFAOYSA-N,2,1,0.459,12,47,476.927,6.361,6,0.269,0.8,1.0,0.754386265506134,0.8081094510314577,0.8743317798642999,0.8821019806730176,0.8297323692687273
EOS-2-32987,Clc1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c(Oc2ccccc2)c1,QBZRDPCHOOBMAV-UHFFFAOYSA-N,2,1,0.347,30,93,476.927,6.361,6,0.288,0.72,1.0,0.4589301624288945,0.5623500788157083,0.7608799945171681,0.8160852580357755,0.6495613734493867
EOS-2-32988,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cnc(C)n1C,HJAWWJBHMHTXFX-UHFFFAOYSA-N,2,1,0.464,15,771,476.928,3.574,5,0.351,0.62,1.0,0.5711997121513261,0.5159773147830855,0.2682047152354191,0.1946148310602426,0.3874991433075184
EOS-2-32989,CCn1nc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)cc1-c1ccnc(CO)c1,SMHJWNFBMIBKEU-UHFFFAOYSA-N,2,1,0.365,31,606,476.928,3.498,5,0.379,0.58,1.0,0.28125214173120416,0.2507967240079501,0.297760605852923,0.2738760194640532,0.2759213727640326
EOS-2-32990,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1[nH]c(C)nc1C,MGKNNBICEPSQJG-UHFFFAOYSA-N,2,1,0.474,15,771,476.928,3.872,5,0.376,0.64,1.0,0.5941248029607292,0.5343448015900213,0.2758892467959701,0.197364813926393,0.40043091631827843
EOS-2-32991,CCn1ncnc1-c1cc(-c2nnc3cncc(OCCc4cccc(OC)n4)n23)ccc1Cl,VTGGXBGNTSWXIM-UHFFFAOYSA-N,2,1,0.464,15,563,476.928,3.748,5,0.333,0.64,0.999,0.5083527516962512,0.5965321088342129,0.1705589061750394,0.15940477006373793,0.35871213419231035
EOS-2-32992,COCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cn1,WXTLGUMTJOUJTC-UHFFFAOYSA-N,2,1,0.429,87,954,476.928,3.366,5,0.298,0.68,1.0,0.35438797889109724,0.38467205811801797,0.22866835720649717,0.2266893975738469,0.2986044479473648
EOS-2-32993,CCOc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cnn(C)c1,PXJIEHIZACECKU-UHFFFAOYSA-N,2,1,0.434,65,773,476.928,3.655,5,0.334,0.7,0.745,0.44482043725584264,0.3657391542731821,0.3122986772668083,0.2531440614077171,0.34400058255088756
EOS-2-32994,COc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)c(C)c5)n(C)n4)n23)n1,JENWCIZPRGHQED-UHFFFAOYSA-N,2,1,0.408,95,835,476.928,3.574,5,0.351,0.68,1.0,0.3566325131930642,0.32700808717702695,0.26439243369200194,0.232566307998081,0.29514983551504353
EOS-2-32995,CCOc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccn(C)n1,ZLHJTQJLFFMRSF-UHFFFAOYSA-N,2,1,0.434,49,773,476.928,3.655,5,0.334,0.62,0.98,0.45219655952299365,0.37057089986978275,0.2465903639229662,0.2003118360633267,0.3174174148447673
EOS-2-32996,COC(C)n1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)c(C)c4)n23)n1,TVIAMCKNWWHPMM-UHFFFAOYSA-N,2,1,0.429,92,212,476.928,4.151,5,0.345,0.58,1.0,0.40609793708450415,0.534353368514838,0.4766893975738469,0.3905746693167021,0.4519288431224727
EOS-2-32997,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn(C)c2=O)cn1,DFLUVQXABRYBDU-UHFFFAOYSA-N,2,1,0.449,65,388,476.928,3.043,5,0.355,0.66,1.0,0.18312658488109107,0.12864094304708382,0.2794102528956206,0.27699438009732025,0.21704304023027893
EOS-2-32998,COCCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)c1,GJBJSKDWEMJAHY-UHFFFAOYSA-N,2,1,0.471,65,981,476.928,3.366,5,0.298,0.71,1.0,0.44732197930230966,0.4314903022411075,0.3197262010828593,0.2917123569323556,0.372562709889658
EOS-2-32999,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1OC,ULGKMLVAPIKIIU-UHFFFAOYSA-N,2,1,0.505,15,187,476.928,3.748,5,0.312,0.65,1.0,0.5058512096497841,0.4314988691659242,0.3050167911726407,0.25315262833253377,0.3738798745802207
EOS-2-33000,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnc(C)n1C,NTKKHPJFUGHBRM-UHFFFAOYSA-N,2,1,0.438,49,773,476.928,3.574,5,0.328,0.52,1.0,0.48335446508121443,0.3705794667945994,0.23231786717839764,0.1594133369885546,0.31141628401069155
EOS-2-33001,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(Cl)n6)cn5)n34)cc2)n1,CEJBFBXWCXEQGD-UHFFFAOYSA-N,2,1,0.301,38,532,476.931,5.334,6,0.317,0.7,1.0,0.19988348982249332,0.32245048317455965,0.6400692207525187,0.6299088479199506,0.4480780104173806
EOS-2-33002,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnc(Cl)cn6)c5)n34)cc2)nn1,OHLUQDHYAURXIS-UHFFFAOYSA-N,2,1,0.346,9,598,476.931,5.334,6,0.339,0.77,1.0,0.20532348708107737,0.307304160098691,0.6739514084024398,0.6910081557124255,0.4693968028236584
EOS-2-33003,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)nc2)n1,HHAZKQTYYPAPRK-UHFFFAOYSA-N,2,1,0.354,32,20,476.931,5.334,6,0.317,0.71,0.898,0.2162291823726955,0.34147762319237884,0.6603385648687548,0.6647248303748886,0.47069255020217937
EOS-2-33004,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)n6)cc5)n34)cn2)cn1,DPCLSXSVYILTAU-UHFFFAOYSA-N,2,1,0.314,69,57,476.931,5.334,6,0.317,0.76,1.0,0.21623774929751216,0.3224590500993763,0.7058717702693441,0.682535467068741,0.4817760091837434
EOS-2-33005,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(Cl)cn6)cc5)n34)cc2)cn1,KVRLQFKHPYEPDP-UHFFFAOYSA-N,2,1,0.377,69,867,476.931,5.334,6,0.339,0.73,1.0,0.24938318141319993,0.37058803371941607,0.6955828935645261,0.6965680899184429,0.5030305496538963
EOS-2-33006,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(Cl)n5)cn4)n23)cc1,TZAKTCYXTRXQKR-UHFFFAOYSA-N,2,1,0.349,32,594,476.931,5.334,6,0.317,0.71,1.0,0.3002450140497567,0.3846806250428346,0.5944760468782126,0.6270303611815503,0.47660801178808854
EOS-2-33007,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)cc2)cn1,TWAVUCUNVXLJAN-UHFFFAOYSA-N,2,1,0.358,69,339,476.931,5.334,6,0.317,0.73,0.999,0.20533205400589405,0.3705966006442327,0.7033787951476937,0.7106521143170448,0.4974898910287163
EOS-2-33008,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)nnc1Cl,ISDKPDHWXNYSCF-UHFFFAOYSA-N,2,1,0.329,30,93,476.931,5.334,6,0.339,0.58,0.96,0.23012473442533068,0.30731272702350765,0.5881279555890617,0.6389041189774518,0.441117384003838
EOS-2-33009,CC(C)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)cn1,ZWBJJNWWYHPBTI-UHFFFAOYSA-N,2,1,0.75,91,781,476.943,5.65,5,0.303,0.75,1.0,0.794667945994106,0.8236841203481599,0.8808255088753341,0.8218936330614762,0.830267802069769
EOS-2-33010,Clc1ccc(-c2nnc3cncc(-c4ccsc4)n23)c(OCC2COc3ccccc3O2)c1,TUEAOCKMKLMSSX-UHFFFAOYSA-N,2,1,0.386,96,697,476.945,5.392,6,0.338,0.63,1.0,0.5521297375094236,0.5577753409636077,0.8780840929340004,0.8692344595983825,0.7143059077513536
EOS-2-33011,N#CCCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4scnc4Cl)n23)c1,KJQHHMWXQGXAMD-UHFFFAOYSA-N,2,1,0.473,26,438,476.953,4.3,5,0.328,0.74,0.998,0.5365979028168049,0.5388767048180385,0.2869491467342883,0.3616355972859982,0.4310148379137825
EOS-2-33012,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)cc5)n34)cc2)n1C,JVIJYXNOHPFHNR-UHFFFAOYSA-N,2,1,0.395,69,538,476.971,6.488,6,0.292,0.76,1.0,0.27310499623055307,0.3513124528819135,0.8660218627921321,0.8821105475978342,0.5931374648756083
EOS-2-33013,CCn1nc(C)c(CCOc2cncc3nnc(-c4ncn(C)c4-c4ccc(C)cc4)n23)c1Cl,KUFIBOCDRMDZHI-UHFFFAOYSA-N,2,1,0.467,31,460,476.972,4.3,5,0.348,0.63,0.991,0.2357874717291481,0.3315314234802275,0.06205023644712494,0.09138338701939552,0.18018812966897402
EOS-2-33014,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)s5)n34)c(Cl)c2)n1,REPDSIHYMZADMU-UHFFFAOYSA-N,2,1,0.321,32,126,476.974,6.26,6,0.298,0.71,1.0,0.30797238023439105,0.43609074086765814,0.5354670687410047,0.5755431430333767,0.4637683332191077
EOS-2-33015,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)s5)n34)nn2)cc1Cl,FINHULJIXWEEBA-UHFFFAOYSA-N,2,1,0.29,76,272,476.978,5.092,6,0.352,0.54,1.0,0.0779504489068604,0.20999246110616132,0.22867692413131382,0.3388818449729285,0.213875419779316
EOS-2-33016,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1,VGCRUTLKYBXRGV-UHFFFAOYSA-N,2,1,0.524,4,22,422.901,4.486,5,0.417,0.78,1.0,0.7246590363922967,0.6488160509903365,0.6544959221437873,0.6417997395654855,0.6674426872729765
EOS-2-33017,Cn1ccnc1-c1csc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,CKOPHULTFPPYRW-UHFFFAOYSA-N,2,1,0.562,4,32,422.901,4.486,5,0.417,0.73,1.0,0.8187581385785758,0.8380165855664451,0.5559077513535742,0.5912891508464122,0.7009929065862519
EOS-2-33018,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,YOPBHJUWFQGCSC-UHFFFAOYSA-N,2,1,0.518,4,506,422.901,4.486,5,0.417,0.75,1.0,0.5443509697758893,0.5297786306627373,0.6368309231718182,0.6329843739291344,0.5859862243848948
EOS-2-33019,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)cc1,POTDMVSDSGYBKJ-UHFFFAOYSA-N,2,1,0.556,16,55,422.901,4.486,5,0.417,0.71,1.0,0.7215492426838462,0.5918031663354122,0.7033873620725104,0.6793999725858406,0.6740349359194024
EOS-2-33020,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)s1,UTQPPEFSYKWEOO-UHFFFAOYSA-N,2,1,0.534,15,848,422.901,4.518,5,0.435,0.67,1.0,0.9453258858200261,0.9249109039819067,0.5786186690425604,0.6213676238777328,0.7675557706805565
EOS-2-33021,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)cc2)c1,UJGJDGFYKBEWLA-UHFFFAOYSA-N,2,1,0.543,16,55,422.901,4.486,5,0.417,0.7,1.0,0.7543948324309506,0.6202453567267494,0.6821242546775409,0.653159481872387,0.6774809814269069
EOS-2-33022,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)c(Cl)c2)n1,HMKAXDFTQVHLRE-UHFFFAOYSA-N,2,1,0.62,4,10,422.901,4.486,5,0.417,0.74,1.0,0.4884175176478651,0.6683400726475225,0.6072750325543143,0.6127321636625317,0.5941911966280584
EOS-2-33023,OC1(c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)CCOC1,SXCVDMVSAXDHKO-UHFFFAOYSA-N,2,1,0.625,48,17,422.872,3.632,5,0.529,0.69,1.0,0.9541669522308273,0.8910372832568021,0.8688403810568158,0.8792663285587006,0.8983277362757864
EOS-2-33024,Clc1ccccc1-c1nnc2cncc(OCc3ccc(-c4csnn4)nn3)n12,WDRAOBJZPBAIPZ-UHFFFAOYSA-N,2,1,0.537,72,820,422.861,3.332,5,0.424,0.68,1.0,0.4061065040093208,0.591811733260229,0.22868549105613048,0.3484682338427798,0.39376799054211503
EOS-2-33025,Clc1ccc(COc2cncc3nnc(-c4cc(-c5cncs5)ncn4)n23)nc1,AZTPIICNLFJLQX-UHFFFAOYSA-N,2,1,0.483,46,238,422.861,3.332,5,0.424,0.66,0.835,0.40611507093413746,0.48861455691864847,0.28695771365910494,0.33250805290932767,0.37854884860530463
EOS-2-33026,Clc1nnc(-c2nccc(COc3cncc4nnc(-c5ccccc5)n34)n2)s1,MDPDQBOWPQXALV-UHFFFAOYSA-N,2,1,0.53,4,700,422.861,3.332,5,0.424,0.64,1.0,0.5496453293125899,0.6731718182441231,0.06388355835789185,0.11492529641559866,0.3504065005825509
EOS-2-33027,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnn5)nc4)n23)s1,SOHOJMAUTKLZCM-UHFFFAOYSA-N,2,1,0.461,55,617,422.861,3.332,5,0.424,0.73,1.0,0.5969090535261462,0.6880097320265918,0.33461551641422793,0.37782708518950037,0.49934034678911654
EOS-2-33028,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5nncs5)n34)cc2)nn1,DTLSPUYBONEWDK-UHFFFAOYSA-N,2,1,0.494,72,208,422.861,3.332,5,0.424,0.68,1.0,0.5545627441573573,0.7213179357137962,0.2357874717291481,0.31058529230347476,0.4555633609759441
EOS-2-33029,Clc1cccc(COc2cncc3nnc(-c4cc(-c5cscn5)cnn4)n23)n1,GFPPDMGVWVJYPX-UHFFFAOYSA-N,2,1,0.456,53,670,422.861,3.332,5,0.397,0.65,1.0,0.3613014872181482,0.4040333082036872,0.2644010006168186,0.32912411760674387,0.3397149784113495
EOS-2-33030,Clc1cc(COc2cncc3nnc(-c4cncc(-c5nncs5)c4)n23)ccn1,BUKVOUZSSIFNLK-UHFFFAOYSA-N,2,1,0.443,2,875,422.861,3.332,5,0.397,0.67,1.0,0.5083613186210678,0.5820026043451443,0.37582242478240013,0.4153930505105887,0.4703948495648002
EOS-2-33031,Clc1ncc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ccn2)cn1,ATLRDBPIYMXSDD-UHFFFAOYSA-N,2,1,0.488,55,441,422.861,3.332,5,0.397,0.71,1.0,0.588222191762045,0.5766654101843602,0.3306661640737441,0.3291326845315605,0.4561716126379275
EOS-2-33032,Clc1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)ccn1,MQAFFFYWKHOHFC-UHFFFAOYSA-N,2,1,0.402,46,395,422.861,3.332,5,0.397,0.56,0.997,0.4332036872044411,0.42690699746419025,0.29038448358577207,0.3419659379069289,0.37311527654033305
EOS-2-33033,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5csnn5)cn4)n23)cc1,FZKDFRBHJVIQLH-UHFFFAOYSA-N,2,1,0.57,4,212,422.861,3.332,5,0.424,0.66,1.0,0.5133044342402852,0.7577530669590844,0.2903930505105887,0.39058323624151875,0.4880084469878692
EOS-2-33034,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)s1,RFCWGVPTZZFQHT-UHFFFAOYSA-N,2,1,0.43,55,62,422.861,3.332,5,0.424,0.67,1.0,0.5340706599958879,0.5343619354396546,0.2396254540470153,0.2683075183332191,0.3940913919539442
EOS-2-33035,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnsc5)nc4)n23)n1,WPKFOKBJGFGJRU-UHFFFAOYSA-N,2,1,0.425,55,879,422.861,3.332,5,0.397,0.58,1.0,0.49832944966074977,0.6202539236515661,0.2465989308477829,0.29172092385717224,0.41422580700431777
EOS-2-33036,Clc1ccc(-c2nnc3cncc(OCc4nncc(-c5cncs5)n4)n23)cc1,NBQBMLUKLXWCKH-UHFFFAOYSA-N,2,1,0.57,16,335,422.861,3.332,5,0.424,0.72,1.0,0.7307244191624974,0.902851072578987,0.22153210883421287,0.33581488588856145,0.5477306216160647
EOS-2-33037,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5cncs5)cn4)n23)n1,RGHSTYPBCXSTDY-UHFFFAOYSA-N,2,1,0.404,51,119,422.861,3.332,5,0.397,0.71,1.0,0.4589387293537112,0.562358645740525,0.21438729353711192,0.2589952710575012,0.3736699849222123
EOS-2-33038,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)cn1,JUTRWUBJZQJSOU-UHFFFAOYSA-N,2,1,0.512,4,875,422.861,3.332,5,0.397,0.59,1.0,0.35664108011788087,0.5766739771091769,0.36056473168391473,0.3995356726749366,0.4233538653964773
EOS-2-33039,Cn1nc(-c2nnc3cncc(OCc4nnnn4C)n23)cc1-c1ccc(Cl)cc1,XBKBHMQVYIVLOQ-UHFFFAOYSA-N,2,1,0.453,36,404,422.84,1.948,5,0.422,0.74,1.0,0.33584915358782813,0.49822664656294974,0.03789150846412172,0.0894215612363786,0.24034721746281953
EOS-2-33040,Cn1cnnc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n(C)n1,GJNGFQYJYDERMC-UHFFFAOYSA-N,2,1,0.57,36,404,422.84,1.948,5,0.422,0.73,1.0,0.5468525118223563,0.7353162908642313,0.015129189226235351,0.03818278390788842,0.3338701939551778
EOS-2-33041,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,UPKBQKUHJFLSLR-UHFFFAOYSA-N,2,1,0.549,36,404,422.84,1.948,5,0.422,0.75,1.0,0.5366064697416215,0.7618052223973683,0.04860873140977315,0.09719176204509629,0.36105304639846486
EOS-2-33042,Cc1ccnn1-c1ccc(COc2cncc3nnc(-c4nnn(C)n4)n23)c(Cl)c1,TVAQSSQPRRFJCZ-UHFFFAOYSA-N,2,1,0.391,36,105,422.84,2.041,5,0.422,0.69,1.0,0.18878075526009183,0.19119662805839216,0.07235624700157632,0.10357412103351381,0.13897693783839352
EOS-2-33043,Cn1nc(-c2ncnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,ZGSAWQDCLTXFQJ-UHFFFAOYSA-N,2,1,0.409,36,185,422.84,1.948,5,0.395,0.58,0.879,0.3231615379343431,0.529787197587554,0.05799808100884107,0.07511479679254335,0.2465154033308204
EOS-2-33044,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4Cl)n23)n1,PQPVNBYMTJBZHY-UHFFFAOYSA-N,2,1,0.449,36,79,422.84,1.948,5,0.422,0.63,1.0,0.32578301692824346,0.4839798505928312,0.0976715098348297,0.12409190596943322,0.2578815708313344
EOS-2-33045,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2C)cn1,YSKUNRAZDMTTFX-UHFFFAOYSA-N,2,1,0.382,51,924,422.84,1.948,5,0.422,0.67,0.985,0.19989205674730998,0.17441402234253991,0.07873860598999383,0.08053766020149407,0.13339558632033446
EOS-2-33046,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)nn5C)n34)cc2)n1,FVNCRGAHJXFIMI-UHFFFAOYSA-N,2,1,0.494,36,447,422.84,1.948,5,0.422,0.71,1.0,0.3910115824823521,0.5025615105201837,0.0787471729148105,0.08562641354259475,0.26448666986498526
EOS-2-33047,Cn1cnc(-c2c(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cnn2C)c1,NTTHLLZHXQJVHP-UHFFFAOYSA-N,2,1,0.461,92,105,422.84,1.948,5,0.422,0.6,0.999,0.23579603865396478,0.27648893153313686,0.07014598039887603,0.08221677746556096,0.16616193201288465
EOS-2-33048,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)nn1C,OGHILYOBDNJFPH-UHFFFAOYSA-N,2,1,0.402,31,569,422.84,1.948,5,0.395,0.65,0.933,0.23013330135014734,0.18707593722157495,0.1080717565622644,0.0992649578507299,0.15613648824617915
EOS-2-33049,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnnn5C)on4)n23)ccc1Cl,GNRUPLZZTYMQTH-UHFFFAOYSA-N,2,1,0.489,36,677,422.836,3.116,5,0.425,0.64,1.0,0.36812932629703243,0.5436227811664724,0.30126447810294016,0.32594578849976014,0.38474059351655127
EOS-2-33050,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)o1,NRKNKSFQDTXHAT-UHFFFAOYSA-N,2,1,0.562,36,226,422.836,3.116,5,0.425,0.74,1.0,0.669873552189706,0.7876430676444384,0.13338701939551778,0.17826057158522376,0.4422910527037215
EOS-2-33051,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)cn2)nn1,AHXHCKMVYUDFHG-UHFFFAOYSA-N,2,1,0.479,58,510,422.836,2.85,5,0.411,0.68,1.0,0.5033668014529504,0.5297957645123706,0.22154067575902953,0.24134740593516552,0.37401266191487903
EOS-2-33052,CC(CO)n1nccc1-c1nnc2cncc(-c3nnc(-c4ccccc4Cl)o3)n12,HPNHNFWCOBAZFZ-UHFFFAOYSA-N,2,1,0.325,22,844,422.836,2.912,5,0.459,0.58,0.042,0.12230141868274964,0.1744225892673566,0.15182304160098692,0.2325748749228977,0.1702804811184977
EOS-2-33053,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4C)n23)no1,XEQCVRIXFSQNNK-UHFFFAOYSA-N,2,1,0.375,36,908,422.836,3.812,5,0.42,0.66,1.0,0.4497806867246933,0.5623672126653416,0.16437358645740524,0.21244260160372833,0.34724102186279215
EOS-2-33054,Cc1nn(C)cc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)no1,HEXLDNKSRBCIPL-UHFFFAOYSA-N,2,1,0.556,36,446,422.836,3.116,5,0.425,0.78,1.0,0.5911777808237955,0.6245973545336166,0.11334041532451511,0.15679185799465423,0.3714768521691454
EOS-2-33055,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccco5)ncn4)n23)n1,GYMVSBAUAHXDHC-UHFFFAOYSA-N,2,1,0.429,31,194,422.836,2.85,5,0.411,0.68,1.0,0.3889298197519019,0.26613151942978547,0.11334898224933178,0.1568004249194709,0.23130268658762249
EOS-2-33056,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)no1,UUVVKXATRKYGLK-UHFFFAOYSA-N,2,1,0.549,36,32,422.836,3.116,5,0.425,0.73,1.0,0.5765797409361936,0.735324857789048,0.12225001713384963,0.16725207319580562,0.4003516722637242
EOS-2-33057,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1-c1ccco1,HEUHJOXNNLWZCN-UHFFFAOYSA-N,2,1,0.402,31,569,422.836,2.85,5,0.411,0.68,0.999,0.3283702282228771,0.17866321705160715,0.1027259954766637,0.14166266876841888,0.1878555273798917
EOS-2-33058,Cc1noc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)n1,YMEYDXBFORYVLA-UHFFFAOYSA-N,2,1,0.542,36,32,422.836,3.116,5,0.425,0.84,1.0,0.6637053663217052,0.7447484750873826,0.13339558632033446,0.1753478171475567,0.42929931121924475
EOS-2-33059,Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1-c1cc(F)ccc1F,QRZURARTMJJEBM-UHFFFAOYSA-N,2,1,0.456,45,533,422.826,4.79,5,0.419,0.8,1.0,0.26267048180385166,0.5766825440339935,0.9234630936878898,0.9552463847577274,0.6795156260708656
EOS-2-33060,FC(F)n1cc(-c2cccc(-c3cncc4nnc(-c5ccccc5Cl)n34)c2)cn1,PGRMPJQNWHIUOO-UHFFFAOYSA-N,2,1,0.425,96,46,422.826,5.37,5,0.39,0.75,1.0,0.13089404427386744,0.40404187512850387,0.9549122746898773,0.962631073949695,0.6131198170104859
EOS-2-33061,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(F)c1,JUQGLMMUPXDSMV-UHFFFAOYSA-N,2,1,0.391,45,46,422.826,4.79,5,0.419,0.69,1.0,0.3079809471592077,0.5820111712699609,0.945608594338976,0.9596240833390446,0.6988061990267973
EOS-2-33062,Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1-c1ccc(F)c(F)c1,WJVPGHFGJNIZEN-UHFFFAOYSA-N,2,1,0.435,45,102,422.826,4.79,5,0.419,0.75,1.0,0.2652491261736687,0.5871427592351449,0.9342060174079913,0.9588873278048112,0.686371307655404
EOS-2-33063,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(F)c2)cn1,YHKQJBGBBYDVNY-UHFFFAOYSA-N,2,1,0.4,45,46,422.826,4.79,5,0.419,0.78,1.0,0.3107052292509081,0.5528236584195737,0.9565742581043108,0.9678997327119457,0.6970007196216846
EOS-2-33064,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1F,ATWMKGAAZMEJEY-UHFFFAOYSA-N,2,1,0.393,45,102,422.826,4.79,5,0.419,0.69,1.0,0.3910201494071688,0.629309163182784,0.9382153382221917,0.9531731889520938,0.7279294599410595
EOS-2-33065,Cn1cc(-c2cncc3nnc(-c4c(F)cccc4Cl)n23)c(-c2ccc(F)cc2)n1,BOGLEQRCTYGWRX-UHFFFAOYSA-N,2,1,0.394,45,46,422.826,4.79,5,0.419,0.8,1.0,0.19419505174422588,0.4798762936056473,0.8962374066205195,0.9409310533890755,0.6278099513398671
EOS-2-33066,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cc(Cl)c(F)cc4F)n23)cc1,QFKWLCAIRZKKMQ-UHFFFAOYSA-N,2,1,0.338,45,102,422.826,4.79,5,0.392,0.77,1.0,0.3681378932218491,0.49823521348776645,0.9342145843328079,0.945685696662326,0.6865683469261874
EOS-2-33067,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5F)n34)c(Cl)c2)cn1,OAPRYFIVUWDGLU-UHFFFAOYSA-N,2,1,0.4,45,46,422.826,4.79,5,0.419,0.83,1.0,0.29236344321842234,0.5025700774450004,0.9565828250291275,0.9683366458775958,0.6799632478925365
EOS-2-33068,Cn1cc(-c2ccc(F)c(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)c2)nn1,QRYVZOOVZCKEDW-UHFFFAOYSA-N,2,1,0.422,13,374,422.811,3.567,5,0.408,0.77,1.0,0.44273867452539234,0.5918203001850456,0.6400777876773354,0.667603317113289,0.5855600198752656
EOS-2-33069,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)nc3)n12,UHIZAXSHRPDGEJ-UHFFFAOYSA-N,2,1,0.441,55,526,422.811,3.343,5,0.462,0.67,0.999,0.660535604139538,0.6927986429991091,0.562178740319375,0.5972003289699129,0.6281783291069838
EOS-2-33070,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1nc[nH]n1,VUQCNVPXRLJLHJ-UHFFFAOYSA-N,2,1,0.56,47,164,422.811,3.343,5,0.462,0.61,1.0,0.7062315811116442,0.7706205880337195,0.6368394900966349,0.6705589061750394,0.6960626413542594
EOS-2-33071,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cn[nH]c1,HZPRHNFVCVYMLS-UHFFFAOYSA-N,2,1,0.471,51,196,422.811,3.343,5,0.462,0.72,1.0,0.8682749640189158,0.7706291549585361,0.6278270851895004,0.6734116921389898,0.7350357240764855
EOS-2-33072,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nc3)n12,BFEJHNNIZGFHBB-UHFFFAOYSA-N,2,1,0.512,47,164,422.811,3.343,5,0.433,0.69,1.0,0.8436107874717291,0.787651634569255,0.6845915290247413,0.6939551778493592,0.7524522822287711
EOS-2-33073,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cc(-c4cc[nH]n4)ccn3)n12,CISINPWCDFOFIB-UHFFFAOYSA-N,2,1,0.411,46,128,422.811,3.343,5,0.462,0.62,1.0,0.5058597765746008,0.502578644369817,0.5621873072441916,0.6093567952847646,0.5449956308683436
EOS-2-33074,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccnc(-c4nc[nH]n4)c3)n12,ZKAUDDZZRWEYNN-UHFFFAOYSA-N,2,1,0.5,47,577,422.811,3.343,5,0.462,0.58,1.0,0.6760074703584401,0.7123312315811117,0.6655815228565554,0.7047495031183606,0.6896674319786169
EOS-2-33075,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1Cl,DFAGAAUCRNNCLV-UHFFFAOYSA-N,2,1,0.524,47,164,422.811,3.343,5,0.462,0.66,1.0,0.760314577479268,0.6976389555205263,0.6710472208895895,0.6764272496744569,0.7013570008909602
EOS-2-33076,Cn1ccnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,SPTXZGUQNNGJCP-UHFFFAOYSA-N,2,1,0.507,22,706,422.811,3.567,5,0.437,0.67,1.0,0.6637139332465218,0.791986498526489,0.4050870399561373,0.4811956000274142,0.5854957679391406
EOS-2-33077,Cn1nc(-c2cncnc2)cc1Oc1cncc2nnc(-c3c(F)cccc3Cl)n12,YSXGWSGFCWUTRH-UHFFFAOYSA-N,2,1,0.395,13,706,422.811,3.567,5,0.437,0.67,1.0,0.4611404290315948,0.5577839078884244,0.5756887807552601,0.6093653622095813,0.5509946199712151
EOS-2-33078,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cncn5)nc4)n23)c(Cl)c1,WYSUGUAWYMJQEQ-UHFFFAOYSA-N,2,1,0.547,16,446,422.811,3.139,5,0.429,0.72,1.0,0.4708381879240628,0.5871513261599616,0.6461774381468028,0.6764358165992735,0.5951506922075251
EOS-2-33079,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1nc[nH]n1,ZDCIKOTXJFHOKG-UHFFFAOYSA-N,2,1,0.529,47,164,422.811,3.343,5,0.433,0.62,1.0,0.8935045576040025,0.7876602014940717,0.6873243780412583,0.6993951751079432,0.7669710780618189
EOS-2-33080,Fc1ccc(-c2c[nH]c(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n2)nc1,WIOAURSAJUVVQK-UHFFFAOYSA-N,2,1,0.389,46,915,422.811,3.343,5,0.462,0.61,1.0,0.5133130011651018,0.5918288671098623,0.4629823178671784,0.5399304365704887,0.5270136556781577
EOS-2-33081,Fc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1c[nH]cn1,CIMNWAXUGXEXAM-UHFFFAOYSA-N,2,1,0.456,47,379,422.811,3.343,5,0.433,0.67,1.0,0.8747429922555,0.7075937221574944,0.5690151463230758,0.6155763827016654,0.6917320608594338
EOS-2-33082,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,SBYANKJWFPCRFV-UHFFFAOYSA-N,2,1,0.506,47,164,422.811,3.343,5,0.462,0.69,1.0,0.7456651360427661,0.6830323487081077,0.5977743129326297,0.6241690082927832,0.6626602014940717
EOS-2-33083,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nn4)n23)cc1Cl,MHVBEBUCVXOQHH-UHFFFAOYSA-N,2,1,0.549,54,691,422.811,3.343,5,0.462,0.63,0.733,0.8268281817558769,0.7447570420121993,0.6336611609896512,0.6939637447741759,0.7248025323829759
EOS-2-33084,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)ccc1-c1cc[nH]n1,PSJACGLGIUAMBH-UHFFFAOYSA-N,2,1,0.494,16,772,422.811,3.343,5,0.433,0.62,1.0,0.9126687684188883,0.8042800356384072,0.6793314371873073,0.6794085395106573,0.768922195188815
EOS-2-33085,Fc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1cc[nH]n1,POGXOWGUKSDTMK-UHFFFAOYSA-N,2,1,0.435,47,379,422.811,3.343,5,0.433,0.62,1.0,0.8365259406483448,0.7834881091083544,0.5657511479679255,0.615584949626482,0.7003375368377767
EOS-2-33086,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,UAGDWDDFYDATNW-UHFFFAOYSA-N,2,1,0.471,13,706,422.811,3.567,5,0.437,0.73,1.0,0.5314920156260708,0.7834966760331711,0.5490627784250566,0.6001216503323967,0.6160432801041738
EOS-2-33087,Fc1cc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)ccc1Cl,MFURCOJTHDKUIR-UHFFFAOYSA-N,2,1,0.633,59,294,422.811,3.343,5,0.462,0.68,1.0,0.7778853402782537,0.8081180179562745,0.7369097388801316,0.7632530326913851,0.7715415324515111
EOS-2-33088,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)nc4)n23)ccc1Cl,DHKDXIHVBFCUBG-UHFFFAOYSA-N,2,1,0.6,16,391,422.811,3.139,5,0.429,0.8,1.0,0.46839661435131247,0.6488246179151532,0.6655900897813721,0.6910167226372421,0.6184570111712699
EOS-2-33089,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1cncnc1,YNJHKOAFRDCHGJ-UHFFFAOYSA-N,2,1,0.416,95,956,422.811,3.567,5,0.437,0.7,1.0,0.3566496470426975,0.4040504420533205,0.607283599479131,0.6560379686107874,0.5060054142964842
EOS-2-33090,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nn2)cn1,QGYMVJZMKLYBQQ-UHFFFAOYSA-N,2,1,0.435,54,251,422.811,3.567,5,0.437,0.73,1.0,0.4171835377972723,0.4982437804125831,0.6072921664039477,0.6475567130422863,0.5425690494140223
EOS-2-33091,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)nc1F,GQTRVOFCEUUHSM-UHFFFAOYSA-N,2,1,0.387,13,251,422.811,3.567,5,0.408,0.67,0.998,0.4219638818449729,0.5388852717428552,0.4118891782605716,0.5031697621821671,0.4689770235076417
EOS-2-33092,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)c4)n23)cc1Cl,ILSAEYMDYJFRLE-UHFFFAOYSA-N,2,1,0.6,43,499,422.811,3.343,5,0.462,0.76,1.0,0.912677335343705,0.8856743883215681,0.7421269960934823,0.7804725515728874,0.8302378178329107
EOS-2-33093,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1cnccn1,GGFSBBVLUFKKGM-UHFFFAOYSA-N,2,1,0.437,95,956,422.811,3.567,5,0.437,0.7,1.0,0.38893838667671854,0.41343122472757177,0.5189072030703858,0.5880422863408951,0.47732977520389286
EOS-2-33094,Cn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ncn1,HMFOROLWNIQSMR-UHFFFAOYSA-N,2,1,0.391,44,971,422.811,3.567,5,0.437,0.72,0.999,0.5058683434994174,0.49825234733739976,0.6192001918991159,0.647565279967103,0.567721540675759
EOS-2-33095,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,GYBNCRXJHLTAOO-UHFFFAOYSA-N,2,1,0.483,47,910,422.811,3.343,5,0.462,0.63,1.0,0.7975207319580563,0.8042886025632239,0.6682115687752724,0.6939723116989925,0.7409983037488863
EOS-2-33096,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1Cl,HVVLJHPZZYEWCL-UHFFFAOYSA-N,2,1,0.625,59,294,422.811,3.343,5,0.462,0.64,1.0,0.8339815639777945,0.857463504900281,0.684600095949558,0.7076965252552944,0.770935422520732
EOS-2-33097,Cn1nnnc1-c1ccc(-c2nnc3cncc(Oc4cccc(F)c4Cl)n23)cc1,DJQNZQQBJQJUNM-UHFFFAOYSA-N,2,1,0.55,61,941,422.811,3.567,5,0.437,0.76,1.0,0.5157974093619354,0.6928072099239257,0.572596120896443,0.6531680487972038,0.6085921972448769
EOS-2-33098,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4cnccn4)n[nH]3)n12,CCMBVQWJQHQQDR-UHFFFAOYSA-N,2,1,0.438,46,963,422.811,3.343,5,0.462,0.66,0.999,0.6027859639503804,0.5025872112946337,0.6739599753272565,0.7213436364882462,0.6251691967651292
EOS-2-33099,COc1ccnc(-n2cc(-c3cncc4nnc(-c5cc(F)cc(Cl)c5)n34)cn2)n1,UWRXBWFLUHBMIW-UHFFFAOYSA-N,2,1,0.407,50,844,422.811,3.235,5,0.438,0.74,1.0,0.11714412994311561,0.3021297375094236,0.48380851209649783,0.5166112672195189,0.354923411692139
EOS-2-33100,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)nn3)n12,OYOFFIVAIMHZMD-UHFFFAOYSA-N,2,1,0.529,34,10,422.811,3.139,5,0.429,0.65,1.0,0.43321225412925773,0.6780892330888905,0.49394318415461586,0.5755517099581934,0.5451990953327394
EOS-2-33101,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cncn4)cn3)n12,XNEUCROAWOAQCM-UHFFFAOYSA-N,2,1,0.541,4,10,422.811,3.139,5,0.429,0.63,1.0,0.48087862380919744,0.6683486395723391,0.6545044890686039,0.6794171064354739,0.6207872147214035
EOS-2-33102,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cn4)n23)cc(Cl)n1,BERBNSMBZXCTSZ-UHFFFAOYSA-N,2,1,0.407,46,565,422.811,3.343,5,0.433,0.68,1.0,0.7395569186484819,0.6780978000137071,0.6336697279144679,0.6389126859022686,0.6725592831197313
EOS-2-33103,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,JNWGUIDZJNGXPV-UHFFFAOYSA-N,2,1,0.584,34,612,422.811,3.139,5,0.429,0.69,1.0,0.5496538962374066,0.7618137893221849,0.39058323624151875,0.5661537934343088,0.5670511788088548
EOS-2-33104,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cn4)n23)ccc1Cl,OWJYXNZZHNERFW-UHFFFAOYSA-N,2,1,0.566,4,391,422.811,3.139,5,0.429,0.74,1.0,0.40379343430882053,0.6539990405044205,0.6793400041121239,0.6994037420327599,0.6091340552395312
EOS-2-33105,Fc1ccc(-c2nnc3cncc(OCc4nnn(-c5cccc(Cl)c5)n4)n23)cc1,DUQNTDNHARXWGJ-UHFFFAOYSA-N,2,1,0.556,34,612,422.811,3.139,5,0.429,0.66,1.0,0.554571311082174,0.697647522445343,0.36795798780069905,0.5530292646151738,0.5433015214858474
EOS-2-33106,Cn1nc(-c2ccc(Cl)nn2)cc1Oc1cncc2nnc(-c3ccc(F)cc3)n12,NJMCEUXRHNLDNT-UHFFFAOYSA-N,2,1,0.494,34,706,422.811,3.567,5,0.437,0.76,1.0,0.6760160372832568,0.819709067233226,0.4838170790213145,0.5498766362826399,0.6323547049551093
EOS-2-33107,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1Cl,PBNGCUYHJLEJAY-UHFFFAOYSA-N,2,1,0.757,43,499,422.811,3.343,5,0.462,0.81,1.0,0.942541635254609,0.9053697484750873,0.7656432047152354,0.7895620588033719,0.8507791618120759
EOS-2-33108,Cn1nnnc1-c1cc(F)cc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,JVISAOJOUJFJGI-UHFFFAOYSA-N,2,1,0.605,34,941,422.811,3.567,5,0.437,0.78,1.0,0.6279470221369338,0.8693886642450825,0.5524210129531903,0.6764443835240902,0.6815502707148242
EOS-2-33109,COc1cc(-c2nnc3cncc(-c4nnn(-c5cccc(F)c5)n4)n23)ccc1Cl,WDPILEMXJOVOGI-UHFFFAOYSA-N,2,1,0.37,22,990,422.811,3.235,5,0.438,0.75,1.0,0.11442841477623192,0.479884860530464,0.4766979644986636,0.585129531903228,0.41403519292714686
EOS-2-33110,Cn1nnnc1-c1ccc(Cl)c(Oc2cncc3nnc(-c4ccccc4F)n23)c1,GBDPRMFPLPOTPW-UHFFFAOYSA-N,2,1,0.482,34,941,422.811,3.567,5,0.437,0.81,1.0,0.5158059762867521,0.8414690562675622,0.5253752313069701,0.6446953601535192,0.631836406003701
EOS-2-33111,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)nn5)cc4)n23)nc1,PPZFGSACBZSIFI-UHFFFAOYSA-N,2,1,0.437,46,915,422.811,3.139,5,0.429,0.73,1.0,0.3751370707970667,0.3125042834624083,0.552429579878007,0.5943903776300459,0.458615327941882
EOS-2-33112,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,UNSNGLADAPFJDA-UHFFFAOYSA-N,2,1,0.568,13,941,422.811,3.567,5,0.437,0.84,1.0,0.5882307586868618,0.8158539510657254,0.5726046878212597,0.6676118840381057,0.6610753204029882
EOS-2-33113,Cn1nncc1-c1ccnc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,BRCIRANVCOSZOV-UHFFFAOYSA-N,2,1,0.407,13,251,422.811,3.567,5,0.437,0.71,1.0,0.36814646014666574,0.4180659310533891,0.6073007333287643,0.6560465355356041,0.5123899150161059
EOS-2-33114,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4c(F)cccc4Cl)n23)c1,LSISNFCFZWXKIX-UHFFFAOYSA-N,2,1,0.562,34,941,422.811,3.567,5,0.437,0.8,1.0,0.4684051812761291,0.6540076074292372,0.47670653142348024,0.6093739291343979,0.5521233123158111
EOS-2-33115,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccccc5)n34)n2)cc1Cl,WLDGXFDEVAELNC-UHFFFAOYSA-N,2,1,0.524,34,612,422.811,3.139,5,0.429,0.72,1.0,0.5366150366664382,0.5918374340346789,0.3605732986087314,0.519806730176136,0.502208124871496
EOS-2-33116,Fc1ccc(-c2nnc3cncc(OCc4nnn(-c5ccccc5Cl)n4)n23)cc1,OXKCXYPQGNNQJT-UHFFFAOYSA-N,2,1,0.556,34,612,422.811,3.139,5,0.429,0.71,1.0,0.5685182646837091,0.7306901514632308,0.32700808717702695,0.5198152971009526,0.5365079501062299
EOS-2-33117,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5nc[nH]n5)c4)n23)nc1Cl,YHUMONBQMUXUEO-UHFFFAOYSA-N,2,1,0.511,47,164,422.811,3.343,5,0.433,0.65,1.0,0.6542132136248372,0.6683572064971558,0.6043108765677473,0.6213761908025495,0.6370643718730724
EOS-2-33118,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2)n1,JIQOTBQMDDBFMC-UHFFFAOYSA-N,2,1,0.571,13,941,422.811,3.567,5,0.437,0.74,1.0,0.5058769104242341,0.6731803851689397,0.5690237132478926,0.627038928106367,0.5937799842368583
EOS-2-33119,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5cc(F)cc(Cl)c5)n34)cc2)n1,UUPWKTNRCNKIQX-UHFFFAOYSA-N,2,1,0.587,13,941,422.811,3.567,5,0.437,0.75,1.0,0.5083698855458845,0.6880182989514084,0.5524381468028237,0.6299174148447674,0.5946859365362209
EOS-2-33120,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cc2)n1,FXXMIVSTGQHXEM-UHFFFAOYSA-N,2,1,0.718,61,941,422.811,3.567,5,0.437,0.76,1.0,0.6542217805496539,0.7306987183880475,0.5944846138030293,0.6531766157220205,0.6581454321156878
EOS-2-33121,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4ccnn4)cn3)n12,QLXLZGKLCSVVHT-UHFFFAOYSA-N,2,1,0.548,4,10,422.811,3.139,5,0.429,0.72,1.0,0.3728154341717497,0.6293177301076006,0.6368480570214515,0.6734202590638064,0.5781003700911521
EOS-2-33122,Cn1cnnc1-c1cccc(Oc2cncc3nnc(-c4c(F)cccc4Cl)n23)n1,RKIPDJWBZOTLQU-UHFFFAOYSA-N,2,1,0.386,34,706,422.811,3.567,5,0.437,0.69,1.0,0.5418151600301556,0.6202624905763827,0.40509560688095403,0.4964275923514495,0.5159002124597355
EOS-2-33123,Cn1ccc(-c2cncc(-c3nnc4cncc(Oc5ncc(F)cc5Cl)n34)c2)n1,FRIKVPQVANRLGP-UHFFFAOYSA-N,2,1,0.356,2,995,422.811,3.567,5,0.437,0.63,1.0,0.4661178123500788,0.5159858817079022,0.5726132547460764,0.5661623603591255,0.5302198272907958
EOS-2-33124,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1ccncn1,UWZSDCOPPANHHI-UHFFFAOYSA-N,2,1,0.402,95,956,422.811,3.567,5,0.437,0.72,1.0,0.41277157151668836,0.45351586594476045,0.5389795079158385,0.6001302172572134,0.5013492906586252
EOS-2-33125,Cn1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2)n1,CIMZGDZUVFKXCL-UHFFFAOYSA-N,2,1,0.416,13,251,422.811,3.567,5,0.437,0.71,0.992,0.4356109930779247,0.5159944486327188,0.5977828798574464,0.6241775752175999,0.5433914741964224
EOS-2-33126,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)nc1,ZMKVRHKRWRNISX-UHFFFAOYSA-N,2,1,0.432,13,251,422.811,3.567,5,0.437,0.77,1.0,0.4684137482009458,0.5820197381947776,0.5354756356658213,0.60013878418203,0.5465119765608937
EOS-2-33127,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)nn2)cn1,WKQCDVAJTYHQBN-UHFFFAOYSA-N,2,1,0.417,13,706,422.811,3.567,5,0.437,0.78,1.0,0.49082482352134876,0.6157562881228155,0.5817455966006443,0.6155935165512988,0.5759800561990268
EOS-2-33128,Cn1nncc1-c1cncc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)c1,IQALWDAIQCWPMF-UHFFFAOYSA-N,2,1,0.568,13,995,422.811,3.567,5,0.437,0.65,1.0,0.4932920978685491,0.5298043314371873,0.6900486601329586,0.7291481049962305,0.6105732986087313
EOS-2-33129,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cn4)n23)cc1Cl,HPDLOFODAGYNEM-UHFFFAOYSA-N,2,1,0.566,47,294,422.811,3.343,5,0.462,0.68,1.0,0.7804811184977041,0.7835052429579878,0.6739685422520731,0.7022222602974436,0.7350442910013021
EOS-2-33130,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4c[nH]nn4)cn3)n12,ZIKWQNOHOYJXOK-UHFFFAOYSA-N,2,1,0.446,46,910,422.811,3.343,5,0.462,0.65,0.974,0.6880439997258584,0.6683657734219725,0.7240422178054965,0.7528784867384004,0.708332619422932
EOS-2-33131,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5cccc(Cl)c5)n4)n23)nc1,HISUQYBFAHJYSX-UHFFFAOYSA-N,2,1,0.375,46,975,422.811,3.139,5,0.429,0.67,0.997,0.3002535809745734,0.3513210198067302,0.39810499623055307,0.5230450277568364,0.39318115619217325
EOS-2-33132,Fc1cc(-c2nnc3cncc(OCc4ncn(-c5cccnc5)n4)n23)ccc1Cl,MRDQCKSECARSRG-UHFFFAOYSA-N,2,1,0.5,73,975,422.811,3.139,5,0.429,0.66,1.0,0.4983380165855664,0.6540161743540539,0.5219056267562195,0.5943989445548626,0.5671646905626757
EOS-2-33133,Fc1cncc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)[nH]n4)n23)c1,VYLOIGVZFMGLPF-UHFFFAOYSA-N,2,1,0.429,46,915,422.811,3.343,5,0.462,0.72,1.0,0.596917620450963,0.4360993077924748,0.6102648893153314,0.6676204509629223,0.5777255671304229
EOS-2-33134,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)ccc1Cl,OROFKBSGRPVFCT-UHFFFAOYSA-N,2,1,0.757,43,499,422.811,3.343,5,0.462,0.82,1.0,0.9434839969844425,0.9053783153999041,0.765651771640052,0.7895706257281886,0.8510211774381469
EOS-2-33135,Cn1nc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)cc1-c1ccnnc1,VJKBPFYCKPUGIK-UHFFFAOYSA-N,2,1,0.427,95,956,422.811,3.567,5,0.437,0.65,1.0,0.3358577205126448,0.4134397916523885,0.6102734562401481,0.667629017887739,0.50679999657323
EOS-2-33136,Cn1nncc1-c1cncc(-c2nnc3cncc(Oc4c(F)cccc4Cl)n23)c1,JECAXAOZRJGDQX-UHFFFAOYSA-N,2,1,0.437,13,995,422.811,3.567,5,0.437,0.66,1.0,0.4522051264478103,0.5253580974573367,0.6368566239462683,0.6734288259886231,0.5719621684600096
EOS-2-33137,Cn1nccc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,OQIGIJCOABVITJ-UHFFFAOYSA-N,2,1,0.507,34,706,422.811,3.567,5,0.437,0.71,1.0,0.6637225001713385,0.8119131656500582,0.4907048865739154,0.5466040710026728,0.6282361558494962
EOS-2-33138,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccon5)cn4)n23)cc1Cl,URAJMNZQZFELKK-UHFFFAOYSA-N,2,1,0.61,59,294,422.807,4.213,5,0.419,0.77,1.0,0.7804896854225207,0.6731889520937564,0.8297409361935439,0.8379394832430951,0.780339764238229
EOS-2-33139,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)ccc1Cl,ACCZCYCJJVHNLQ-UHFFFAOYSA-N,2,1,0.757,43,96,422.807,4.213,5,0.419,0.77,1.0,0.9701614008635461,0.9417791789459256,0.8631690768281818,0.8594167637584813,0.9086316050990336
EOS-2-33140,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1nnco1,QXHVCLYHBHXXHF-UHFFFAOYSA-N,2,1,0.708,43,372,422.807,4.213,5,0.419,0.78,1.0,0.9725258721129464,0.9700414639161127,0.8380508532657117,0.859425330683298,0.9100108799945172
EOS-2-33141,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)cnc1Cl,YYCNOXUJWOKVOS-UHFFFAOYSA-N,2,1,0.537,97,409,422.807,4.213,5,0.392,0.76,1.0,0.9236429991090398,0.7835138098828045,0.8067815776848742,0.7804811184977041,0.8236048762936057
EOS-2-33142,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)ccn1,XCQMQVJTIWNGBL-UHFFFAOYSA-N,2,1,0.6,97,232,422.807,4.213,5,0.392,0.75,1.0,0.9405455417723254,0.9156157905558221,0.7816976218216709,0.8093602220546913,0.8618047940511274
EOS-2-33143,Cc1ncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)o1,VHWLQVTYMSRPPF-UHFFFAOYSA-N,2,1,0.518,13,573,422.807,4.735,5,0.413,0.72,1.0,0.7720426975532863,0.6585309437324378,0.7989257076279899,0.7918237269549723,0.7553307689671714
EOS-2-33144,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4Cl)n23)cc1,RWXGBLIFGLLNJY-UHFFFAOYSA-N,2,1,0.653,43,909,422.807,4.213,5,0.419,0.78,1.0,0.9607206497155781,0.944477760263176,0.8494105955726132,0.8692430265231992,0.9059630080186416
EOS-2-33145,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)on4)n23)c1,SDIDVNAXJVCFLE-UHFFFAOYSA-N,2,1,0.483,34,560,422.807,4.213,5,0.419,0.71,1.0,0.47366527311356316,0.4753015557535467,0.7266379960249468,0.7964412994311562,0.6180115310808032
EOS-2-33146,Cc1ncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)o1,BJTLLOQGFHGCGW-UHFFFAOYSA-N,2,1,0.407,13,110,422.807,4.735,5,0.413,0.72,1.0,0.657160235761771,0.6057843876362141,0.7795387567678707,0.7708518950037695,0.7033338187924063
EOS-2-33147,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,KVXUPCFIJYUMNV-UHFFFAOYSA-N,2,1,0.582,43,178,422.807,4.213,5,0.419,0.75,1.0,0.9453344527448427,0.9135597285998218,0.8494191624974299,0.8542594750188472,0.8906432047152354
EOS-2-33148,Fc1cc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,FOYFLTFIQRNRTF-UHFFFAOYSA-N,2,1,0.653,43,909,422.807,4.213,5,0.419,0.79,1.0,0.972534439037763,0.9707953532999795,0.8494277294222465,0.8659447604687821,0.9146755705571927
EOS-2-33149,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4nnco4)cc3)n12,NINCHIOYDVAZCT-UHFFFAOYSA-N,2,1,0.597,43,909,422.807,4.213,5,0.419,0.73,1.0,0.9334521280241245,0.9519395517784935,0.8331334384209444,0.8455383455554794,0.8910158659447605
EOS-2-33150,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)n1,ZGRPQJKFHHFTJX-UHFFFAOYSA-N,2,1,0.608,97,232,422.807,4.213,5,0.392,0.77,1.0,0.9541755191556439,0.9284490439311904,0.6982814748817764,0.7528870536632171,0.8334482729079569
EOS-2-33151,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,IIDQOEAAEQYFDE-UHFFFAOYSA-N,2,1,0.411,96,46,422.807,4.309,5,0.426,0.72,1.0,0.7336628743746145,0.7835223768076212,0.82571448152971,0.8199061065040093,0.7907014598039888
EOS-2-33152,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1Cl,SIZQTHNWGDNHDO-UHFFFAOYSA-N,2,1,0.757,43,96,422.807,4.213,5,0.419,0.77,1.0,0.9691847714344459,0.9402285655541087,0.8631776437529984,0.8610701802480981,0.9084152902474127
EOS-2-33153,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nc5)no4)n23)cc1,FZIFLXIGBLPCNJ-UHFFFAOYSA-N,2,1,0.615,97,232,422.807,4.213,5,0.392,0.81,1.0,0.9366732917551915,0.9028596395038038,0.7770971831951203,0.8050253580974573,0.8554138681378933
EOS-2-33154,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nc4)n23)cc1Cl,YTZHXICVTSBEEA-UHFFFAOYSA-N,2,1,0.618,24,805,422.807,4.213,5,0.419,0.73,1.0,0.9288773901720239,0.8828815708313343,0.8277448427112604,0.8238725926941265,0.8658440991021863
EOS-2-33155,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)cc1,VWTKUVORJSNNGE-UHFFFAOYSA-N,2,1,0.608,34,929,422.807,4.213,5,0.419,0.77,1.0,0.8617469673086149,0.87497429922555,0.6336782948392845,0.7400109656637653,0.7776026317593037
EOS-2-33156,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)co2)nc1,FRDBPMWVYOHWMC-UHFFFAOYSA-N,2,1,0.57,34,268,422.807,4.213,5,0.419,0.77,1.0,0.852768830100747,0.9096018093345213,0.6603471317935714,0.7159636077033787,0.7846703447330545
EOS-2-33157,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)o5)n34)c2)cn1,MAOLHXQWOPLKCW-UHFFFAOYSA-N,2,1,0.443,46,157,422.807,4.213,5,0.392,0.7,1.0,0.6849513398670414,0.6830409156329244,0.7965098348296895,0.8028493591940237,0.7418378623809198
EOS-2-33158,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cccc(Cl)c5)n4)n23)cc1,PSUAJTJOQJRVDL-UHFFFAOYSA-N,2,1,0.57,34,210,422.807,4.213,5,0.419,0.77,1.0,0.8411777808237955,0.8309745733671441,0.6162788705366322,0.7265608937015968,0.7537480296072921
EOS-2-33159,Fc1cc(Cl)cc(-c2nnc3cncc(OCc4noc(-c5ccccc5)n4)n23)c1,ZJIBKSXDDASGDO-UHFFFAOYSA-N,2,1,0.59,34,210,422.807,4.213,5,0.419,0.77,1.0,0.5852580357754781,0.6293262970324173,0.5621958741690083,0.6647333972997053,0.6103784010691522
EOS-2-33160,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4Cl)n23)c1,BQCAMCXILXPBAB-UHFFFAOYSA-N,2,1,0.575,97,71,422.807,4.213,5,0.419,0.75,1.0,0.69996915907066,0.8042971694880405,0.8150229593585087,0.829895140840244,0.7872961071893633
EOS-2-33161,Fc1ccc(-c2ncoc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,XJMGGULHSSCAHI-UHFFFAOYSA-N,2,1,0.615,97,232,422.807,4.213,5,0.392,0.7,1.0,0.9733739976697965,0.9579535329997944,0.7318895209375642,0.7708604619285861,0.8585193783839353
EOS-2-33162,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4cocn4)nc3)n12,LURIVDIARSUYCX-UHFFFAOYSA-N,2,1,0.568,24,389,422.807,4.213,5,0.419,0.68,1.0,0.8935131245288191,0.9053868823247208,0.7965184017545062,0.805033925022274,0.8501130834075801
EOS-2-33163,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5cccc(Cl)c5)n34)o2)cc1,MKCKBBYKGDDBNJ-UHFFFAOYSA-N,2,1,0.573,34,372,422.807,4.213,5,0.419,0.77,1.0,0.7215578096086629,0.8828901377561511,0.6305770680556507,0.7374323212939483,0.7431143341786033
EOS-2-33164,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4cnco4)nc3)n12,AHTPXDLXXXEOAR-UHFFFAOYSA-N,2,1,0.554,97,109,422.807,4.213,5,0.419,0.75,1.0,0.8987218148173531,0.9053954492495374,0.8150315262833253,0.8178928791720924,0.8592604173805771
EOS-2-33165,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cnco5)nc4)n23)ccc1Cl,OZQAFBRDKICKHB-UHFFFAOYSA-N,2,1,0.603,59,89,422.807,4.213,5,0.419,0.78,1.0,0.955023644712494,0.9266499897196903,0.8444417791789459,0.8357806181892947,0.8904740079501062
EOS-2-33166,Fc1ccccc1-c1nnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)o1,NODHHCZGGQSHFQ-UHFFFAOYSA-N,2,1,0.57,34,372,422.807,4.213,5,0.419,0.83,1.0,0.9001010897128366,0.9519481187033103,0.6162874374614489,0.7291566719210473,0.7993733294496608
EOS-2-33167,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)c1,DHJJVZONCMJQOE-UHFFFAOYSA-N,2,1,0.57,34,210,422.807,4.213,5,0.419,0.79,1.0,0.8617555342334315,0.8828987046809678,0.6162960043862655,0.7265694606264136,0.7718799259817696
EOS-2-33168,Fc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)on1,QQWKJRYCMGAMPR-UHFFFAOYSA-N,2,1,0.6,97,232,422.807,4.213,5,0.392,0.75,0.999,0.9288859570968405,0.929854019601124,0.7445942704406826,0.7804896854225207,0.845955983140292
EOS-2-33169,Fc1ccc(Cl)c(COc2cncc3nnc(-c4cc(-c5ncco5)ccn4)n23)c1,MVKZLKLRXVAZKD-UHFFFAOYSA-N,2,1,0.448,59,692,422.807,4.213,5,0.419,0.66,1.0,0.6422623535055856,0.5712939483243095,0.7795473236926873,0.8007418956891235,0.6984613803029265
EOS-2-33170,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)cn1,SMYWNBVQCMHGBA-UHFFFAOYSA-N,2,1,0.615,97,232,422.807,4.213,5,0.392,0.84,1.0,0.9377098896580084,0.9211757247618395,0.779555890617504,0.8071328216023577,0.8613935816599274
EOS-2-33171,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)ccc1Cl,FDIOPLVOMPBQGE-UHFFFAOYSA-N,2,1,0.662,43,909,422.807,4.213,5,0.419,0.74,1.0,0.9672058118017957,0.9671544102528956,0.8601535192927147,0.8610787471729148,0.9138981221300801
EOS-2-33172,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnco5)cn4)n23)c(Cl)c1,VZYJFOBIKSVWBH-UHFFFAOYSA-N,2,1,0.618,97,71,422.807,4.213,5,0.419,0.7,1.0,0.7946765129189226,0.8544565142896305,0.815040093208142,0.8219021999862929,0.821518830100747
EOS-2-33173,Fc1cc(Cl)ncc1COc1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,KNPXUPQYTAYYPN-UHFFFAOYSA-N,2,1,0.557,97,91,422.807,4.213,5,0.392,0.76,1.0,0.9550322116373107,0.8574720718250977,0.8526317593036804,0.8418802686587622,0.8767540778562127
EOS-2-33174,COc1cc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)o4)n23)ccc1Cl,IMBUXBOIXLEGBC-UHFFFAOYSA-N,2,1,0.37,45,574,422.807,4.309,5,0.426,0.8,1.0,0.6666609553834556,0.8236926872729765,0.7160664108011788,0.7606401206223015,0.7417650435199781
EOS-2-33175,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4cocn4)nc3)n12,OQRAZBZIVBGCIU-UHFFFAOYSA-N,2,1,0.531,24,910,422.807,4.213,5,0.419,0.67,1.0,0.8481855253238297,0.7999623055308067,0.8257230484545267,0.827753409636077,0.82540607223631
EOS-2-33176,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ccoc5)cn4)n23)ccc1Cl,HHRQVZGSAMITSZ-UHFFFAOYSA-N,2,1,0.558,51,969,422.807,4.213,5,0.419,0.72,1.0,0.9210386539647728,0.9249194709067233,0.7817061887464876,0.8050424919470907,0.8581767013912687
EOS-2-33177,COc1cc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cc5)o4)n23)ccc1F,WZNUEMQNUYWFDQ-UHFFFAOYSA-N,2,1,0.382,45,574,422.807,4.309,5,0.426,0.79,1.0,0.7365070934137482,0.8637259269412652,0.7345281337810979,0.7683417860324858,0.7757757350421493
EOS-2-33178,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cnoc5)cn4)n23)ccc1Cl,IFSWZDDWHKSFOH-UHFFFAOYSA-N,2,1,0.64,97,71,422.807,4.213,5,0.419,0.69,1.0,0.7946850798437393,0.8544650812144473,0.8631862106778151,0.862595092865465,0.8437328661503666
EOS-2-33179,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ccco5)cn4)n23)ccc1Cl,JFBBCEMEAAAYFD-UHFFFAOYSA-N,2,1,0.549,24,401,422.807,4.213,5,0.419,0.8,1.0,0.8881073949695018,0.9284576108560071,0.7583698855458845,0.7804982523473374,0.8388582859296827
EOS-2-33180,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccon4)cn3)n12,ZAOQAMOJNMGKGC-UHFFFAOYSA-N,2,1,0.6,4,850,422.807,4.213,5,0.419,0.66,1.0,0.7092128709478446,0.8309831402919607,0.7901446096909054,0.8093687889795079,0.7849273524775547
EOS-2-33181,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4ncno4)c3)n12,HTBXAPKVLAHOMA-UHFFFAOYSA-N,2,1,0.529,43,521,422.807,4.213,5,0.419,0.77,1.0,0.8290984168322939,0.7353334247138648,0.8365602083476116,0.8492135563018299,0.8125514015489002
EOS-2-33182,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,WTWACAGAWVUEBM-UHFFFAOYSA-N,2,1,0.575,43,178,422.807,4.213,5,0.419,0.75,1.0,0.9478702624905764,0.907468645055171,0.8526403262284971,0.8527345624014804,0.8901784490439312
EOS-2-33183,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cocn4)nc3)n12,SQHOYTXNFQAZKM-UHFFFAOYSA-N,2,1,0.531,24,109,422.807,4.213,5,0.419,0.73,1.0,0.8339901309026112,0.8158625179905421,0.8203173188952094,0.8299037077650606,0.8250184188883558
EOS-2-33184,Fc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cc5)o4)n23)cc1,FLRJWLVEBRTSGL-UHFFFAOYSA-N,2,1,0.6,34,372,422.807,4.213,5,0.419,0.8,1.0,0.8917140703173189,0.9531132204783771,0.6517459392776369,0.7528956205880337,0.8123672126653416
EOS-2-33185,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccnc(-c4cnoc4)c3)n12,QKWPGXUQYPSLRS-UHFFFAOYSA-N,2,1,0.543,97,183,422.807,4.213,5,0.419,0.65,1.0,0.7365156603385649,0.6540247412788706,0.8631947776026317,0.869251593448016,0.7807466931670207
EOS-2-33186,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccoc4)nn3)n12,DACORFKXAKASFH-UHFFFAOYSA-N,2,1,0.542,4,10,422.807,4.213,5,0.419,0.69,1.0,0.7365242272633815,0.8514152559797136,0.7393170447536153,0.7847817147556713,0.7780095606880955
EOS-2-33187,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccoc5)n34)ncn2)cc1Cl,VITSRYSAVSXXEJ-UHFFFAOYSA-N,2,1,0.455,44,488,422.807,4.213,5,0.419,0.7,0.999,0.6760246042080734,0.5713025152491261,0.8222877116030429,0.8357891851141115,0.7263510040435885
EOS-2-33188,Fc1cc(COc2cncc3nnc(-c4ncccc4-c4cnco4)n23)ccc1Cl,GWDDZPBZXQLFHA-UHFFFAOYSA-N,2,1,0.603,59,294,422.807,4.213,5,0.419,0.75,1.0,0.8159995887876088,0.7123397985059283,0.790153176615722,0.8115533548077583,0.7825114796792544
EOS-2-33189,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)cc1Cl,VYYCQJCSDAVAJN-UHFFFAOYSA-N,2,1,0.694,59,294,422.807,4.213,5,0.419,0.74,1.0,0.8987303817421698,0.8608217394284148,0.8365687752724282,0.8357977520389281,0.8579796621204852
EOS-2-33190,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)o1,LZNFUODJHDNCKB-UHFFFAOYSA-N,2,1,0.582,34,15,422.807,4.735,5,0.413,0.82,1.0,0.884492152696868,0.943081351518059,0.7393256116784319,0.7780309780001371,0.8362325234733741
EOS-2-33191,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)o1,GFACSFRXAVMJFR-UHFFFAOYSA-N,2,1,0.407,51,196,422.796,1.671,5,0.429,0.66,0.996,0.4908333904461654,0.4402285655541087,0.07875573983962716,0.07699952025221027,0.2717043040230279
EOS-2-33192,Fc1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(Cl)nn5)n4)n23)c(F)c1,WYSAQAFKBNMXFM-UHFFFAOYSA-N,2,1,0.375,22,844,422.786,3.637,5,0.438,0.65,1.0,0.37051093139606606,0.6057929545610308,0.7082276745939278,0.8179014460969091,0.6256082516619834
EOS-2-33193,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cn2)nn1,ZNRPMJLWAZUHMR-UHFFFAOYSA-N,2,1,0.384,22,844,422.786,3.637,5,0.438,0.69,1.0,0.412780138441505,0.6342522788020012,0.7561424850935509,0.8358063189637448,0.6597453053252005
EOS-2-33194,Fc1cc(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cnc1F,YDTHAYWTFCAJMT-UHFFFAOYSA-N,2,1,0.437,22,844,422.786,3.637,5,0.41,0.83,0.96,0.3910287163319855,0.7167945994105955,0.7345367007059146,0.839952710575012,0.6705781817558769
EOS-2-33195,Fc1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(Cl)nc5)n4)n23)cc1F,WRLPLWBGMGERQI-UHFFFAOYSA-N,2,1,0.368,22,844,422.786,3.637,5,0.41,0.81,1.0,0.41059557261325474,0.6488331848399699,0.7700466040710027,0.8577462134192311,0.6718053937358646
EOS-2-33196,Fc1cc(F)c(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1Cl,HQEYQGZDPXCLFY-UHFFFAOYSA-N,2,1,0.321,22,844,422.786,3.637,5,0.41,0.69,0.999,0.3867109862243849,0.5113683092317182,0.8476029744362964,0.8876790487286683,0.658340329655267
EOS-2-33197,Fc1ccc(-c2nnc3cncc(-c4cnnc(-c5ncccc5F)n4)n23)cc1Cl,OMODJCMWPPHJNC-UHFFFAOYSA-N,2,1,0.36,22,844,422.786,3.637,5,0.438,0.79,1.0,0.37514563772188336,0.5918460009594956,0.6629771777122884,0.8028579261188403,0.6082066856281269
EOS-2-33198,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)cn1,MSSSDUHWDOGBGJ-UHFFFAOYSA-N,2,1,0.424,50,845,422.786,3.637,5,0.438,0.69,1.0,0.3867195531492016,0.712348365430745,0.7369183058049482,0.8219107669111095,0.6644742478240011
EOS-2-33199,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,DXLMKSTVDWVORD-UHFFFAOYSA-N,2,1,0.64,48,240,422.769,5.182,4,0.425,0.83,1.0,0.9964275923514495,0.9902936741827154,0.9991690082927832,0.9993317798642999,0.9963055136728121
EOS-2-33200,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)ccc1Cl,VNIHLSYOAHTQAV-UHFFFAOYSA-N,2,1,0.828,48,240,422.769,5.182,4,0.425,0.83,1.0,0.9990062367212665,0.9942173257487492,0.9993746144883833,0.9994003152628332,0.9979996230553081
EOS-2-33201,Fc1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)cc1Cl,DIYXBYNSTUDFCL-UHFFFAOYSA-N,2,1,0.696,48,240,422.769,5.182,4,0.425,0.83,1.0,0.9910989651154821,0.9917757521759989,0.9993403467891165,0.9994088821876499,0.9954059865670619
EOS-2-33202,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,URPOJOFXSGRQSE-UHFFFAOYSA-N,2,1,0.622,48,240,422.769,5.182,4,0.425,0.81,1.0,0.9970444109382496,0.9903022411075321,0.9992375436913166,0.9992889452402166,0.9964682852443287
EOS-2-33203,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(C(F)(F)F)c1,JUHCESKRZZUAKA-UHFFFAOYSA-N,2,1,0.725,48,17,422.769,5.182,4,0.425,0.86,1.0,0.9982180796381331,0.9962648207799328,0.9988006305256665,0.9989548351723665,0.9980595915290247
EOS-2-33204,Fc1cc(-c2nnnn2C(F)F)cc(-c2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c1,APXVNBNOCLNRJG-UHFFFAOYSA-N,2,1,0.362,45,102,477.237,4.953,5,0.364,0.75,1.0,0.32317010485915976,0.6293348639572339,0.9225635665821397,0.9588958947296279,0.7084911075320403
EOS-2-33205,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1,VYYGSHKENQPSHE-UHFFFAOYSA-N,2,1,0.6,68,305,422.754,3.712,4,0.484,0.79,1.0,0.9210472208895895,0.9402371324789254,0.9680710712082791,0.9391834007264752,0.9421347063258172
EOS-2-33206,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)nc1OC(F)F,PCYHOIUNQIGXAR-UHFFFAOYSA-N,2,1,0.466,90,255,422.754,3.554,4,0.469,0.71,0.997,0.7634586388869852,0.8749828661503667,0.8755996847371668,0.8626036597902816,0.8441612123912
EOS-2-33207,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(OC(F)F)cn3)n12,QCUBDJUZNJOLJN-UHFFFAOYSA-N,2,1,0.444,68,244,422.754,3.554,4,0.469,0.72,1.0,0.8057963813309574,0.8883472688643684,0.9101415255979713,0.9033051195942704,0.8768975738468919
EOS-2-33208,Clc1cccc(Cl)c1-n1nnc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,WHQLSZQBDBLTLD-UHFFFAOYSA-N,2,1,0.321,3,973,477.275,3.791,6,0.373,0.66,0.999,0.13090261119868413,0.29224350627098894,0.24660749777259955,0.4597354533616613,0.28237226715098346
EOS-2-33209,N#Cc1cc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)c(F)c4)n23)ccc1Cl,UECRSNRMGKNUKV-UHFFFAOYSA-N,2,1,0.558,13,236,477.286,5.963,5,0.317,0.76,1.0,0.9581077376464944,0.9540812829826606,0.9774175861832637,0.9851620862175313,0.9686921732574875
EOS-2-33210,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Br)c5)n34)nc2)cc1,AANWKNHGXPEFDP-UHFFFAOYSA-N,2,1,0.506,97,89,477.297,4.729,5,0.364,0.83,1.0,0.803072099239257,0.7401394695360154,0.827753409636077,0.8358148858885615,0.8016949660749777
EOS-2-33211,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Br)n34)cn2)cn1,YTDZPQNKMHMRRD-UHFFFAOYSA-N,2,1,0.5,97,109,477.297,4.729,5,0.341,0.8,1.0,0.8661503666643822,0.8693972311698992,0.8396871359056953,0.8277619765608937,0.8507491775752176
EOS-2-33212,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Br)c5)n34)cc2)nn1,UCDQMRKVXAIIDN-UHFFFAOYSA-N,2,1,0.636,43,613,477.297,4.729,5,0.364,0.78,1.0,0.9512370639435268,0.9211842916866562,0.8314628880816942,0.8238811596189431,0.8819413508327051
EOS-2-33213,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)c2)nn1,OAFAUZPVVPPSSS-UHFFFAOYSA-N,2,1,0.649,43,613,477.297,4.729,5,0.364,0.78,1.0,0.9587845247070111,0.9417877458707422,0.8314714550065109,0.8277705434857103,0.8899535672674936
EOS-2-33214,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5Br)n34)c2)nn1,DWNXYWGJAUNPME-UHFFFAOYSA-N,2,1,0.53,43,613,477.297,4.729,5,0.364,0.75,1.0,0.8593824960592146,0.8662960043862655,0.8131982043725584,0.8138835583578918,0.8381900657939825
EOS-2-33215,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)nc2)c1,JUVAZQUTZHPFIC-UHFFFAOYSA-N,2,1,0.512,97,162,477.297,4.729,5,0.364,0.83,1.0,0.5765883078610102,0.6683743403467891,0.7817147556713042,0.8007504626139401,0.7068569666232609
EOS-2-33216,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)c2)cn1,KSBQISHGWQXZJR-UHFFFAOYSA-N,2,1,0.578,97,744,477.297,4.729,5,0.341,0.73,1.0,0.5882393256116785,0.6634226578027551,0.8277619765608937,0.8138921252827085,0.7233290213145089
EOS-2-33217,Cn1nc(-c2ncc(Cl)s2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,ASMJWQVPLUWMJJ-UHFFFAOYSA-N,2,1,0.506,73,446,477.312,4.068,5,0.377,0.62,1.0,0.49834658351038313,0.7123569323555616,0.16438215338222192,0.3680522239736824,0.4357844733054622
EOS-2-33218,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)c(Cl)cn1,PQUKTCWHPVFYPB-UHFFFAOYSA-N,2,1,0.5,16,772,477.315,4.344,5,0.371,0.69,1.0,0.8058049482557741,0.8197176341580427,0.804854019601124,0.827779110410527,0.814538928106367
EOS-2-33219,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cn1,HNETXYGEJXEFSY-UHFFFAOYSA-N,2,1,0.478,7,823,477.326,3.806,5,0.367,0.72,1.0,0.45221369337262696,0.4666575286135289,0.312307244191625,0.25900383798231785,0.3725455760400247
EOS-2-33220,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Br)cn5)n34)cn2)cn1,OGFREEGLJNPAJZ-UHFFFAOYSA-N,2,1,0.527,87,468,477.326,3.366,5,0.37,0.74,1.0,0.5158145432115687,0.5623757795901583,0.3232729079569598,0.27388458638886987,0.41883695428688916
EOS-2-33221,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Br)ccn4)n23)cn1,HRUOWEBJGOHATF-UHFFFAOYSA-N,2,1,0.5,87,304,477.326,3.366,5,0.37,0.74,1.0,0.6364368446302515,0.5965406757590296,0.3012730450277568,0.2683160852580358,0.4506416626687684
EOS-2-33222,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Br)nc4)n23)cn1,UAFPIZOLOODALI-UHFFFAOYSA-N,2,1,0.516,65,981,477.326,3.366,5,0.346,0.73,1.0,0.6511805222397368,0.6011068466863135,0.34940202864779657,0.28888527174285517,0.4726436673291755
EOS-2-33223,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Br)nc5)n34)c2)n1,VCYNVZYXLNDPBZ-UHFFFAOYSA-N,2,1,0.494,65,142,477.326,3.366,5,0.346,0.61,1.0,0.4833630320060311,0.45785929682681104,0.37190734014118293,0.30744123089575764,0.4051427249674457
EOS-2-33224,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Br)cc5)n34)cc2)n1,USABNAPSIDNPJJ-UHFFFAOYSA-N,2,1,0.797,91,258,477.326,3.366,5,0.37,0.77,1.0,0.8268367486806936,0.8158710849153588,0.30848639572339115,0.31369508601192514,0.5662223288328422
EOS-2-33225,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1,GUVLHNDNWUZJQL-UHFFFAOYSA-N,2,1,0.554,36,734,477.326,3.806,5,0.367,0.65,1.0,0.5418237269549723,0.49331779864299913,0.26821328216023577,0.2531611952573504,0.3891290007538894
EOS-2-33226,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)c2)nn1C,VCMAHKSPPMSOHY-UHFFFAOYSA-N,2,1,0.585,4,506,477.326,3.632,5,0.382,0.73,1.0,0.38449215269686793,0.44468336645877593,0.1772154067575903,0.15399047357960385,0.2900953498732095
EOS-2-33227,Fc1cc(F)c(F)c(-n2cc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)nn2)c1,BSBXAIANYUYADV-UHFFFAOYSA-N,2,1,0.402,45,730,477.328,4.197,5,0.279,0.68,0.993,0.19154787197587553,0.5965492426838462,0.982412103351381,0.9848708107737647,0.6888450071962169
EOS-2-33229,Clc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,PRTFHHPEYUFPJO-UHFFFAOYSA-N,2,1,0.625,79,590,477.351,6.512,5,0.267,0.83,1.0,0.9742135563018299,0.9826691110958811,0.9389863614556919,0.9531817558769105,0.9622626961825784
EOS-2-33230,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)c(Cl)c5)c4)n23)c1C,RAMPQHMRAYLLHM-UHFFFAOYSA-N,2,1,0.483,59,884,477.355,5.751,5,0.321,0.76,1.0,0.7215663765334795,0.740148036460832,0.8756082516619834,0.8707850729901995,0.8020269344116235
EOS-2-33231,Cc1cc(Cl)ccc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,CGVUPDDBFLVXJC-UHFFFAOYSA-N,2,1,0.463,11,503,477.355,5.485,5,0.322,0.68,1.0,0.7336714412994312,0.7353419916386814,0.7879429100130217,0.8379480501679117,0.7737260982797616
EOS-2-33232,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)ccc1Cl,OYIMVQJMUMGGDH-UHFFFAOYSA-N,2,1,0.505,91,418,477.355,5.485,5,0.322,0.74,1.0,0.7890137756151052,0.8414776231923788,0.7862209581248715,0.8455469124802961,0.8155648173531629
EOS-2-33233,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccc(Cl)cc1,OPINQPZMKHFZQZ-UHFFFAOYSA-N,2,1,0.472,97,560,477.355,5.697,5,0.312,0.76,1.0,0.6422709204304023,0.6634312247275718,0.7561510520183675,0.8160938249605921,0.7194867555342335
EOS-2-33234,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)ccc1Cl,DFUXVAVLXZCCTO-UHFFFAOYSA-N,2,1,0.631,84,73,477.355,5.485,5,0.322,0.75,1.0,0.7573075868686177,0.7999708724556234,0.8150486601329586,0.852743129326297,0.8062675621958741
EOS-2-33235,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)ccc1Cl,MCACRKIVPLYXCE-UHFFFAOYSA-N,2,1,0.523,35,884,477.355,5.485,5,0.301,0.76,1.0,0.8085292303474745,0.8574806387499143,0.8780926598588171,0.893101912137619,0.8593011102734562
EOS-2-33236,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)nc2)cn1,YRSJNKRZFNQWIK-UHFFFAOYSA-N,2,1,0.512,11,529,477.355,5.485,5,0.322,0.76,1.0,0.797529298882873,0.857489205674731,0.8427969296141457,0.8610873140977314,0.8397256870673703
EOS-2-33237,Clc1cccc(CCCOc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccc4)n23)n1,FYOTZJQLYBYSPL-UHFFFAOYSA-N,2,1,0.453,1,848,477.355,5.567,5,0.225,0.62,1.0,0.8935216914536358,0.9229833458981564,0.532083133438421,0.685448221506408,0.7585090980741552
EOS-2-33238,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2Cl)ccn1,NFIUJQBCMIGTFO-UHFFFAOYSA-N,2,1,0.575,11,111,477.355,5.485,5,0.301,0.68,1.0,0.9344544582276746,0.9430899184428757,0.8617212665341649,0.8707936399150161,0.9025148207799327
EOS-2-33239,Cc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccc(Cl)cc1,PZTKLHLJAVHHBB-UHFFFAOYSA-N,2,1,0.452,11,848,477.355,5.485,5,0.301,0.76,1.0,0.8085377972722911,0.8274364334178603,0.7007830169282434,0.7754351997806868,0.7780481118497704
EOS-2-33240,Cn1nc(-c2nnc(C(F)(F)F)n2C)cc1Oc1cncc2nnc(-c3ccc(F)cc3F)n12,QWIBWZHUCVPZIE-UHFFFAOYSA-N,2,1,0.467,36,292,477.357,3.41,5,0.366,0.64,1.0,0.45445822767459393,0.6976560893701597,0.6846086628743746,0.6127407305873483,0.6123659276266191
EOS-2-33241,Fc1ccc(Cl)c(Cl)c1-c1nnc2cncc(OCc3ccc(-c4ccsc4)s3)n12,NODRKOYRKNOLQH-UHFFFAOYSA-N,2,1,0.518,59,877,477.373,6.606,5,0.268,0.67,1.0,0.8030806661640737,0.8574977725995476,0.9260503049825235,0.95063737920636,0.8843165307381262
EOS-2-33242,Cn1nc(-c2nncn2C(F)F)cc1Oc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,CMWFJLPIEFJQNW-UHFFFAOYSA-N,2,1,0.368,67,789,477.399,2.151,6,0.377,0.65,1.0,0.5158231101363855,0.47989342745528063,0.18686176410115826,0.1646305942019053,0.3368022239736824
EOS-2-33243,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1ccc(Cl)s1,ZMRDXBKYGOFQLV-UHFFFAOYSA-N,2,1,0.435,95,477,477.402,5.243,5,0.335,0.62,0.995,0.4544667945994106,0.3846891919676513,0.3719159070659996,0.509569255020218,0.4301602871633199
EOS-2-33244,Cn1nc(C(F)(F)F)cc1-c1ccc(-c2nnc3cncc(OCc4ncccc4C#N)n23)nc1,GWCCGAZMVWZBOV-UHFFFAOYSA-N,2,1,0.436,27,52,477.41,3.451,5,0.378,0.69,1.0,0.45447536152422724,0.4624083339044617,0.8541224042217805,0.6965766568432595,0.6168956891234323
EOS-2-33245,COc1nc(-c2nnc3cncc(OCc4cc(OC(F)F)ccn4)n23)ccc1-c1ccccn1,IDRSRXZMAVOAAI-UHFFFAOYSA-N,2,1,0.549,49,501,477.431,3.832,5,0.329,0.69,0.999,0.6082773627578645,0.6293434308820506,0.6517545062024536,0.49950311836063327,0.5972196045507504
EOS-2-33246,O=C(NCC(F)F)c1ccc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cn1,WJMBTWWIVUEAPK-UHFFFAOYSA-N,2,1,0.563,1,656,477.431,3.415,5,0.361,0.7,1.0,0.6571688026865876,0.35132958673154685,0.594493180727846,0.44723631005414294,0.5125569700500309
EOS-2-33247,COc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(OC)c5)nc4)n23)n1,ABJJBFWDLABBFB-UHFFFAOYSA-N,2,1,0.438,4,390,477.431,3.518,5,0.325,0.73,1.0,0.7151925844698787,0.757761633883901,0.6545130559934206,0.4628452470701117,0.647578130354328
EOS-2-33248,Fc1ccc(-c2cc(F)c(-c3nnc4cncc(-c5cnc(-c6c[nH]nn6)nc5)n34)cc2F)s1,OEXNKGFFQXCISS-UHFFFAOYSA-N,2,1,0.287,45,287,477.435,4.179,6,0.406,0.57,1.0,0.2328661503666644,0.40855664450688783,0.7189020629154959,0.7659687478582689,0.5315734014118292
EOS-2-33249,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5nnco5)s4)n23)c(F)c1,WWCRGCMCYPXQIA-UHFFFAOYSA-N,2,1,0.447,71,226,477.445,2.206,6,0.348,0.59,1.0,0.44034850250154206,0.5343705023644713,0.0257607429237201,0.037051949832088274,0.2593829244054554
EOS-2-33250,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cn4)n23)cc1,VIFGGZLGVROKCX-UHFFFAOYSA-N,2,1,0.692,79,640,477.446,5.373,5,0.314,0.81,1.0,0.9737852100609965,0.9693475430059626,0.9697159207730793,0.9409396203138921,0.9634470735384826
EOS-2-33251,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)nc4)n23)cc1,BZQPOFNJTHJNEI-UHFFFAOYSA-N,2,1,0.654,79,640,477.446,5.373,5,0.314,0.82,1.0,0.9812127338770475,0.9726201082859297,0.9707011171269961,0.940091494757042,0.9661563635117538
EOS-2-33252,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1ccc(F)nc1,QACXERHDIMLCQG-UHFFFAOYSA-N,2,1,0.678,91,781,477.446,4.901,5,0.311,0.69,1.0,0.9812213008018642,0.9678911657871291,0.9565913919539442,0.9264015489000068,0.9580263518607359
EOS-2-33253,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cc1,KWDAEPNCYFQRQY-UHFFFAOYSA-N,2,1,0.699,1,640,477.446,5.215,5,0.305,0.84,1.0,0.9900280995133987,0.9919213898978823,0.9565999588787609,0.9416506750736755,0.9700500308409294
EOS-2-33254,COc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)nc1,PEPAUWZQMKOQRW-UHFFFAOYSA-N,2,1,0.593,1,138,477.446,5.46,5,0.323,0.77,1.0,0.9756270988965801,0.9192995682269892,0.9884089507230485,0.9583133438420944,0.960412240422178
EOS-2-33255,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(OC(F)F)cn5)c4)n23)c1,CWTWCNLKMUHZJD-UHFFFAOYSA-N,2,1,0.615,79,660,477.446,5.215,5,0.305,0.84,1.0,0.9682252758549791,0.9721060927969296,0.9560773764649442,0.9401000616818587,0.9591272016996779
EOS-2-33256,OCc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cc1,RJNCYJCFIOXUSC-UHFFFAOYSA-N,2,1,0.622,1,138,477.446,4.943,5,0.373,0.84,1.0,0.9274381468028237,0.8514238229045302,0.9858474402028647,0.9565742581043108,0.9303209170036324
EOS-2-33257,FC(F)(F)Oc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cc1,LNSDUHSTZDKNBC-UHFFFAOYSA-N,2,1,0.61,79,640,477.446,5.373,5,0.314,0.8,1.0,0.9141337125625385,0.9374700157631417,0.9811784661777808,0.9596326502638612,0.9481037111918305
EOS-2-33258,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnccn6)cn5)n34)cc2)n1,BVKPBTYVSFZEHR-UHFFFAOYSA-N,2,1,0.473,40,147,477.463,3.818,6,0.33,0.47,1.0,0.7456737029675827,0.6634397916523884,0.4907134534987321,0.459744020286478,0.5898927421012954
EOS-2-33259,COc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnc(F)c6)nc5)n34)nc2)nc1,DAKDIEXYBYDTGI-UHFFFAOYSA-N,2,1,0.36,94,989,477.463,3.915,6,0.341,0.65,1.0,0.4381553697484751,0.47990199438009734,0.5152919607977521,0.44064834487012544,0.4684994174491125
EOS-2-33260,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)ccn2)nc1,KUXHLPSAGLZZTF-UHFFFAOYSA-N,2,1,0.494,40,868,477.463,3.818,6,0.353,0.7,1.0,0.9001096566376533,0.7259612089644302,0.5559163182783908,0.5095778219450346,0.6728912514563772
EOS-2-33261,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)cc5)n34)c2)cn1,XPSSHZFNCMBGGW-UHFFFAOYSA-N,2,1,0.419,77,323,477.463,3.818,6,0.33,0.65,1.0,0.5712082790761428,0.5160030155575355,0.6192087588239326,0.5972088958947296,0.5759072373380851
EOS-2-33262,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cnccn6)cn5)n34)cc2)nc1,XNOFYKIHFZLSHM-UHFFFAOYSA-N,2,1,0.466,40,147,477.463,3.818,6,0.353,0.69,1.0,0.8187667055033925,0.7665941333698856,0.4974127887053663,0.4721917620450963,0.6387413474059352
EOS-2-33263,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nc1-c1cncnc1,HZWNOHCQGWEBDU-UHFFFAOYSA-N,2,1,0.5,40,868,477.463,3.818,6,0.353,0.69,1.0,0.6790572955931738,0.7168031663354122,0.6163045713110822,0.5725361524227264,0.6461752964155987
EOS-2-33264,Fc1ccccc1-c1nccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)n1,YXOAVSXRWMLYHO-UHFFFAOYSA-N,2,1,0.406,28,414,477.463,3.818,6,0.353,0.73,0.563,0.5545798780069906,0.5528322253443904,0.4233859913645398,0.42492803783154,0.4889315331368652
EOS-2-33265,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1-c1cccnc1,DSZPQLWNELDPPS-UHFFFAOYSA-N,2,1,0.446,28,297,477.463,3.818,6,0.353,0.67,1.0,0.7544033993557673,0.7307072853128641,0.3415718593653622,0.3358234528133781,0.5406264992118429
EOS-2-33266,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)nc1-c1cnccn1,RDFMFBVNAWKCLG-UHFFFAOYSA-N,2,1,0.441,40,147,477.463,3.818,6,0.353,0.62,1.0,0.8268453156055102,0.7706377218833528,0.40857377835652114,0.4154016174354054,0.6053646083201973
EOS-2-33267,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)nn1,VIMFBMWFVSXZHW-UHFFFAOYSA-N,2,1,0.424,28,363,477.463,3.818,6,0.353,0.66,1.0,0.6819871838804743,0.6540333082036872,0.4051041738057707,0.4055839215955041,0.536677146871359
EOS-2-33268,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)ccn1,FHVLUHZOXKMOMA-UHFFFAOYSA-N,2,1,0.489,80,277,477.463,3.818,6,0.33,0.67,1.0,0.5969261873757796,0.6634483585772051,0.5786272359673772,0.5133729696388184,0.5880936878897951
EOS-2-33269,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnccn6)n5)n34)cn2)cn1,KXQUQKAOEMTESS-UHFFFAOYSA-N,2,1,0.457,28,414,477.463,3.818,6,0.33,0.64,1.0,0.5941333698855459,0.6389298197519019,0.5009766294291002,0.45022616681516003,0.546066496470427
EOS-2-33270,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5ccncc5)n4)n23)ccc1-c1cncnc1,FYKLDGWHFVAQTH-UHFFFAOYSA-N,2,1,0.467,80,355,477.463,3.818,6,0.353,0.65,1.0,0.6909139195394421,0.6540418751285039,0.62502570077445,0.5912977177712289,0.6403198033034062
EOS-2-33271,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)ccn2)nc1,FLPHTYHCTPLQHR-UHFFFAOYSA-N,2,1,0.468,28,942,477.463,3.818,6,0.353,0.67,1.0,0.8085463641971078,0.557792474813241,0.487492289767665,0.46285381399492836,0.5791712356932356
EOS-2-33272,Fc1ccc(-c2ncncc2COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)cc1,ABKFMNGERZDLIJ-UHFFFAOYSA-N,2,1,0.473,28,218,477.463,3.818,6,0.353,0.63,1.0,0.8505414296484134,0.7577702008087177,0.5219141936810363,0.5166198341443355,0.6617114145706258
EOS-2-33273,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)cn1,FTKBLODZIGSRPH-UHFFFAOYSA-N,2,1,0.427,28,218,477.463,3.818,6,0.353,0.65,1.0,0.6999777259954767,0.634260845726818,0.46299088479199507,0.48120416695223084,0.5696084058666301
EOS-2-33274,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)nn1,LSBPTKJBMKXBSI-UHFFFAOYSA-N,2,1,0.529,40,25,477.463,3.818,6,0.353,0.71,1.0,0.688052566650675,0.6202710575011994,0.49742135563018297,0.4345829620999246,0.5600819854704955
EOS-2-33275,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)nc1,GJUFRMGBKPDBJW-UHFFFAOYSA-N,2,1,0.466,40,621,477.463,3.818,6,0.353,0.69,1.0,0.8365345075731615,0.7353505585634981,0.5589233088890412,0.523053594681653,0.6634654924268384
EOS-2-33276,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)nc2)cn1,MAZZPLJNCIYCOM-UHFFFAOYSA-N,2,1,0.412,28,984,477.463,3.818,6,0.33,0.67,0.998,0.5083784524707011,0.5113768761565348,0.4838256459461312,0.45346446439586047,0.48926135974230694
EOS-2-33277,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)ccc1-c1ccccn1,IIUVIUIACBAGPL-UHFFFAOYSA-N,2,1,0.478,94,621,477.463,3.818,6,0.353,0.69,1.0,0.8411863477486121,0.7353591254883147,0.5524467137276403,0.5198238640257693,0.6622040127475841
EOS-2-33278,Fc1cccc(OCc2cccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)n1,KTYNSXBNJUPWLA-UHFFFAOYSA-N,2,1,0.28,30,339,477.463,3.818,6,0.33,0.65,1.0,0.4760383112877801,0.4315074360907409,0.4907220204235488,0.472200328969913,0.4676170241929957
EOS-2-33279,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)nc1,VXAYZAMXQCBQIT-UHFFFAOYSA-N,2,1,0.495,40,868,477.463,3.818,6,0.353,0.74,1.0,0.6698821191145227,0.6488417517647865,0.4767150983482969,0.4437924062778425,0.5598078438763622
EOS-2-33280,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)c1,RIACPSAGBCFKGR-UHFFFAOYSA-N,2,1,0.449,80,518,477.463,3.818,6,0.353,0.69,1.0,0.7747070111712699,0.7490662051949832,0.5490713453498732,0.5166284010691522,0.6473682406963197
EOS-2-33281,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)ccc1-c1cccnc1,SKWPWCYNCFFOOZ-UHFFFAOYSA-N,2,1,0.489,40,355,477.463,3.818,6,0.353,0.62,1.0,0.6605441710643547,0.6437272976492359,0.5320917003632376,0.5300784730313207,0.5916104105270372
EOS-2-33282,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)nc5)n34)cc2)nn1,KXXISEMMTQABDA-UHFFFAOYSA-N,2,1,0.523,40,2,477.463,3.818,6,0.353,0.66,1.0,0.8617641011582482,0.6781063669385238,0.48383421287094786,0.43131039681995753,0.6137537694469194
EOS-2-33283,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cc2)nc1,PIXGSMVKASYPNH-UHFFFAOYSA-N,2,1,0.489,80,868,477.463,3.818,6,0.353,0.7,1.0,0.8845007196216846,0.7213265026386129,0.5756973476800767,0.5133815365636352,0.6737265266260023
EOS-2-33284,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1-c1cncnc1,HETPRABOTPWVKI-UHFFFAOYSA-N,2,1,0.411,28,868,477.463,3.818,6,0.353,0.61,1.0,0.7395654855732986,0.6928157768487424,0.3870279624426016,0.39954423959975327,0.554738366116099
EOS-2-33285,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6ncccn6)c5)n34)cc2)cn1,PKFJPTRFFXPHMI-UHFFFAOYSA-N,2,1,0.462,40,2,477.463,3.818,6,0.33,0.63,1.0,0.8268538825303269,0.7353676924131314,0.5321002672880543,0.5031783291069838,0.6493750428346241
EOS-2-33286,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)nc1,ZAPKPGANYAYJPR-UHFFFAOYSA-N,2,1,0.417,28,414,477.463,3.818,6,0.353,0.6,1.0,0.6364454115550682,0.6293519978068672,0.3379566170927284,0.3580803234870811,0.49045858748543625
EOS-2-33287,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnnc5)nc4)n23)cc1,XYSBLJMMBHFDRX-UHFFFAOYSA-N,2,1,0.472,40,78,477.463,3.818,6,0.33,0.64,1.0,0.8935302583784525,0.7534353368514838,0.5817541635254609,0.5366750051401549,0.691348690973888
EOS-2-33288,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cc1-c1cncnc1,NAFIKBBWEFKWSJ-UHFFFAOYSA-N,2,1,0.489,28,414,477.463,3.818,6,0.353,0.68,1.0,0.684959906791858,0.7307158522376808,0.521922760605853,0.48720958124871494,0.6062020252210267
EOS-2-33289,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cccnc6)cn5)n34)cc2)nc1,SFMIIZBZAQABOZ-UHFFFAOYSA-N,2,1,0.517,40,355,477.463,3.818,6,0.353,0.75,1.0,0.7516791172640669,0.6488503186896032,0.46656329244054556,0.42193818107052294,0.5722577273661846
EOS-2-33290,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccccn6)n5)n34)nn2)cc1,ORHDSNISYRORNC-UHFFFAOYSA-N,2,1,0.432,28,218,477.463,3.818,6,0.353,0.78,1.0,0.5418322938797889,0.5253666643821534,0.3905918031663354,0.42493660475635664,0.47068184154615855
EOS-2-33291,Fc1ncncc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)c1,ARSINSYBEZWPTN-UHFFFAOYSA-N,2,1,0.479,28,868,477.463,3.818,6,0.33,0.7,0.999,0.5521383044342403,0.5766911109588102,0.604319443492564,0.5435456788431224,0.5691736344321843
EOS-2-33292,COc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cn3)n12,MOTYOGGGIHPQFZ-UHFFFAOYSA-N,2,1,0.322,32,572,477.463,3.915,6,0.364,0.6,1.0,0.45894729627852787,0.4933263655678158,0.47672366527311355,0.45649715578096084,0.47137362072510447
EOS-2-33293,N=c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cncc(F)c6)cn5)n34)cc2)n[nH]1,HFCJOGGCCMLVQN-UHFFFAOYSA-N,2,1,0.357,41,25,477.463,4.049,6,0.383,0.76,1.0,0.6542303474744706,0.529812898362004,0.687332944966075,0.6184377355904325,0.6224534815982455
EOS-2-33294,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccncn5)n4)n23)cc1,CMRADPSBGPOVFK-UHFFFAOYSA-N,2,1,0.474,40,120,477.463,3.818,6,0.353,0.68,1.0,0.8411949146734288,0.7259697758892468,0.44176204509629224,0.4219467479953396,0.6077183709135768
EOS-2-33295,Fc1cccc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)n1,WVWAWYSIOYUKLG-UHFFFAOYSA-N,2,1,0.421,28,297,477.463,3.818,6,0.33,0.61,1.0,0.6727691727777397,0.6880268658762251,0.33796518401754505,0.32914125145637724,0.5069756185319718
EOS-2-33296,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnn6)c5)n34)nc2)cn1,KDBTXEUVJYDXNK-UHFFFAOYSA-N,2,1,0.402,28,177,477.463,3.818,6,0.33,0.64,1.0,0.6999862929202934,0.5436313480912891,0.640086354602152,0.6062727023507641,0.6224941744911247
EOS-2-33297,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nn2)c1,PVKQWEGFARIMPB-UHFFFAOYSA-N,2,1,0.483,40,50,477.463,3.818,6,0.353,0.75,1.0,0.7690871084915358,0.7876687684188883,0.4560345418408608,0.48721814817353165,0.6250021417312042
EOS-2-33298,Fc1cnc(-c2cnccc2COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nc1,GEBXTHRLHPWYHL-UHFFFAOYSA-N,2,1,0.43,80,355,477.463,3.818,6,0.353,0.64,1.0,0.8881159618943184,0.7534439037763004,0.4838427797957645,0.4502347337399767,0.64390934480159
EOS-2-33299,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nc2)cn1,UCDWBSKZTVDRIL-UHFFFAOYSA-N,2,1,0.471,41,621,477.463,3.818,6,0.33,0.7,1.0,0.8315656911794942,0.7401566033856487,0.607309300253581,0.5595915290247413,0.6846557809608662
EOS-2-33300,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)ccc1-c1cnccn1,JDVXVHAMDVPOPU-UHFFFAOYSA-N,2,1,0.535,80,355,477.463,3.818,6,0.353,0.68,1.0,0.7184308820505791,0.6976646562949763,0.5589318758138578,0.519832430950586,0.6237149612774998
EOS-2-33301,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nn5)n34)cc2)nn1,YVBMRXCUPIJOTA-UHFFFAOYSA-N,2,1,0.5,81,937,477.463,3.818,6,0.353,0.72,1.0,0.681995750805291,0.6389383866767185,0.4939517510794325,0.46910766911109586,0.5709983894181345
EOS-2-33302,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(-c6ccccc6)n5)n34)c2)nn1,RAGLYQLVXOVOAI-UHFFFAOYSA-N,2,1,0.398,28,177,477.463,3.818,6,0.353,0.62,1.0,0.44978925364950995,0.3992443972311699,0.4085823452813378,0.412291823726955,0.4174769549722432
EOS-2-33303,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)nn2)ccc1=O,ICDCVTYYSZMDNT-UHFFFAOYSA-N,2,1,0.317,3,270,477.463,3.21,6,0.38,0.69,1.0,0.31343807826742515,0.35624700157631417,0.3679665547255157,0.40905352614625456,0.36167629017887737
EOS-2-33304,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)n(C)c4=O)n23)ccc1F,GFZDEVUOIYALIZ-UHFFFAOYSA-N,2,1,0.527,26,125,477.475,3.273,5,0.334,0.68,1.0,0.5033753683777671,0.43610787471729145,0.5253837982317867,0.49643615927626616,0.49032580015077787
EOS-2-33305,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1cnc(C)n1C,AVCMIRRXFRJLHC-UHFFFAOYSA-N,2,1,0.58,49,308,477.475,3.804,5,0.352,0.64,0.996,0.6279555890617504,0.41344835857720513,0.5423034747447056,0.41230039065177165,0.49900195325885827
EOS-2-33306,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)nc1F,NWBGQYJMVYNYIG-UHFFFAOYSA-N,2,1,0.325,30,737,477.478,5.564,6,0.331,0.81,1.0,0.31591391953944215,0.41807449797820573,0.6430933452128024,0.7347937084504146,0.5279688677952162
EOS-2-33307,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(-c6cncnc6)cc5F)n34)cc2)n1,NUTGWFVFLOOXIN-UHFFFAOYSA-N,2,1,0.314,69,696,477.478,5.564,6,0.331,0.65,1.0,0.34995031183606334,0.46666609553834554,0.914870468096772,0.9011376876156535,0.6581561407717086
EOS-2-33308,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)cc6F)cn5)n34)cc2)n1,BAGOJGAGCYPNHS-UHFFFAOYSA-N,2,1,0.35,69,479,477.478,5.564,6,0.331,0.71,1.0,0.3309574395175108,0.5207919265300528,0.8808340758001508,0.8792748954835172,0.6529645843328079
EOS-2-33309,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccc(F)nc6)c5)n34)cc2)cc1F,RECFRJAUUMURLU-UHFFFAOYSA-N,2,1,0.321,69,152,477.478,5.564,6,0.309,0.53,1.0,0.3475772736618463,0.4085652114317045,0.8743403467891165,0.8738091974504831,0.6260730073332876
EOS-2-33310,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)cn5)n34)cc2)cc1F,UHSRDAZWFSKHND-UHFFFAOYSA-N,2,1,0.309,41,818,477.478,5.564,6,0.331,0.76,1.0,0.34758584058666303,0.47531012267836337,0.8995699403742032,0.8917483380165856,0.6535535604139537
EOS-2-33311,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cccnc5)cn4)n23)cc1F,MLBUXYZYGOVRSQ-UHFFFAOYSA-N,2,1,0.34,32,20,477.478,5.564,6,0.331,0.68,0.999,0.2840963607703379,0.46667466246316225,0.8203258858200261,0.841888835583579,0.6032464361592762
EOS-2-33312,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)c2)cnc1F,GZJSILMGNKIDOT-UHFFFAOYSA-N,2,1,0.351,69,645,477.478,5.564,6,0.309,0.7,1.0,0.31848399698444246,0.4180830649030224,0.8556644506887807,0.847303132067713,0.6098836611609897
EOS-2-33313,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)cn5)n34)cc2)o1,MTIXVADRTJJFNG-UHFFFAOYSA-N,2,1,0.523,12,285,477.484,4.491,6,0.328,0.75,1.0,0.5008566924816668,0.3562555685011308,0.42339455828935646,0.3325166198341443,0.4032558597765746
EOS-2-33314,COc1cc(-c2ncon2)ccc1COc1cncc2nnc(-c3cccnc3-c3ccccc3)n12,IATXRKIHSPWTII-UHFFFAOYSA-N,2,1,0.452,77,797,477.484,4.491,6,0.328,0.65,0.998,0.49084195737098213,0.21496127749982866,0.4767322321979302,0.38381536563635116,0.39158770817627303
EOS-2-33315,c1ccc(OCc2cccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)c2)cc1,KDIKFEIHEGSGKG-UHFFFAOYSA-N,2,1,0.484,17,960,477.484,4.394,6,0.315,0.7,1.0,0.3079895140840244,0.2607514906449181,0.4767407991227469,0.40559248852032076,0.36276857309300253
EOS-2-33316,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)cc2)cc1,QKIFFQRKQSSQAZ-UHFFFAOYSA-N,2,1,0.506,17,410,477.484,4.65,6,0.309,0.75,1.0,0.5210746350490028,0.25080529093276677,0.48385134672058117,0.4313189637447742,0.4217625591117812
EOS-2-33317,COc1ccc(-c2nnco2)cc1COc1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,XRNKGNSHNNWTBY-UHFFFAOYSA-N,2,1,0.457,77,323,477.484,4.491,6,0.328,0.67,1.0,0.5655883763964088,0.29225207319580565,0.6461860050716195,0.5095863888698513,0.5034032108834213
EOS-2-33318,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6noc(C)n6)n5)n34)cc2)n1,YMCPIKOYNDHVOG-UHFFFAOYSA-N,2,1,0.423,40,59,477.488,3.889,6,0.348,0.62,1.0,0.41961654444520596,0.3315399904050442,0.1222585840586663,0.09720032896991296,0.24265386196970737
EOS-2-33319,COc1ccc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n(C)n2)cn1,DEBIAPZAYVLLNT-UHFFFAOYSA-N,2,1,0.393,40,622,477.488,3.845,6,0.352,0.78,1.0,0.34995887876088,0.22531012267836337,0.319734768007676,0.1864248509355082,0.27035715509560687
EOS-2-33320,COc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cn1,LDBDJXMVCAUASR-UHFFFAOYSA-N,2,1,0.388,6,355,477.488,3.417,6,0.341,0.69,1.0,0.3283787951476938,0.19120519498320881,0.39060037009115206,0.2590124049071345,0.2922991912822973
EOS-2-33321,COc1ccn(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)n2)n1,SWECVFPXGXFLDO-UHFFFAOYSA-N,2,1,0.442,40,25,477.488,3.417,6,0.341,0.68,1.0,0.2626790487286684,0.2508138578575834,0.3012816119525735,0.22975635665821398,0.2611327187992598
EOS-2-33322,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Oc6ccccc6)nc5)n34)cn2)cn1,ROKQIHYVODAXIH-UHFFFAOYSA-N,2,1,0.419,6,355,477.488,3.748,6,0.339,0.66,1.0,0.31071379617572475,0.17867178397642383,0.3415804262901789,0.24997429922555,0.27023507641696937
EOS-2-33323,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cn5)n34)cn2)n[nH]1,PWASYXHYATZLDT-UHFFFAOYSA-N,2,1,0.469,28,881,477.488,4.046,6,0.362,0.68,1.0,0.4017802069769036,0.38027722568706734,0.26440956754163525,0.2153467891165787,0.3154534473305462
EOS-2-33324,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccncc6)nc5)n34)cn2)n1,SJUVGMIXLBOXMU-UHFFFAOYSA-N,2,1,0.462,6,297,477.488,3.748,6,0.339,0.64,1.0,0.41719210472208895,0.26076005756973475,0.39434411623603594,0.26832465218285245,0.335155232677678
EOS-2-33325,Cn1c(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccncn6)cc5)n34)cc2)n[nH]c1=O,LBOMOOMMNOMKGB-UHFFFAOYSA-N,2,1,0.483,77,755,477.488,2.916,6,0.388,0.68,1.0,0.5793811253512439,0.2713573435679528,0.31974333493249263,0.28588684805702147,0.3640921629771777
EOS-2-33326,COc1ncnn1-c1ccc(COc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)cc1,NUCYNSJMXDUHQJ-UHFFFAOYSA-N,2,1,0.453,77,933,477.488,3.417,6,0.341,0.52,1.0,0.34996744568569665,0.11815502707148243,0.3981135631553697,0.2979062435748064,0.2910355698718388
EOS-2-33327,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)c2)cc1=O,IJLSJSHOCPZVOD-UHFFFAOYSA-N,2,1,0.4,6,414,477.488,2.712,6,0.359,0.67,0.993,0.16354259475018848,0.0927712288396957,0.3084949626482078,0.25633952436433416,0.20528707765060653
EOS-2-33328,Cn1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)c1=O,RHJHJHNYZZLIQU-UHFFFAOYSA-N,2,1,0.408,28,177,477.488,2.712,6,0.359,0.62,1.0,0.2570248783496676,0.08660304297169488,0.14556061956000274,0.16213761908025495,0.16283153999040503
EOS-2-33329,COc1nc(-n2cncn2)ccc1COc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,UNLQQIJRKASUOA-UHFFFAOYSA-N,2,1,0.417,28,363,477.488,3.417,6,0.341,0.71,1.0,0.3751542046467,0.1503923651566034,0.2682218490850524,0.1946233979850593,0.2470979542183538
EOS-2-33330,c1cc(CCCOc2cncc3nnc(-c4ccnc(-c5ccnc(-c6nnco6)c5)c4)n23)ccn1,UUYSPPPNTZRCFE-UHFFFAOYSA-N,2,1,0.479,6,942,477.488,3.705,6,0.299,0.61,1.0,0.4589558632033445,0.23033034062093072,0.2323264341032143,0.21535535604139538,0.28424199849222126
EOS-2-33331,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)nc2)cn1,JLIIRRAEBGVNLZ-UHFFFAOYSA-N,2,1,0.4,6,547,477.488,3.417,6,0.341,0.67,1.0,0.21915907065999587,0.14285347131793572,0.3679751216503324,0.23858885614419847,0.24214412994311563
EOS-2-33332,COc1cc(-c2nnc3cncc(OCc4cn(-c5ccccc5)nn4)n23)ccc1-c1ccncn1,RPLSMCJJCVIORH-UHFFFAOYSA-N,2,1,0.645,81,104,477.488,3.417,6,0.341,0.7,1.0,0.15279110410527036,0.1465029812898362,0.3270166541018436,0.24998286615036666,0.2190734014118292
EOS-2-33333,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)c4)n23)cc1O,WIQGPXNHBLPJCP-UHFFFAOYSA-N,2,1,0.495,77,190,477.488,3.328,6,0.384,0.69,1.0,0.4196251113700226,0.20510074703584402,0.3531543417174971,0.34518710163799604,0.33076682544034
EOS-2-33334,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccncc5)nn4)n23)cc1,MCHMZZKDEQZVPJ-UHFFFAOYSA-N,2,1,0.462,81,117,477.488,3.748,6,0.339,0.67,1.0,0.36131005414296485,0.22531868960318005,0.38329278322253446,0.27700294702213696,0.3117311184977041
EOS-2-33335,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,GRIBDCGIDIIAFZ-UHFFFAOYSA-N,2,1,0.588,17,960,477.488,3.748,6,0.339,0.75,1.0,0.3797889109725173,0.20510931396066068,0.27941881982043726,0.2738931533136865,0.28455254951682546
EOS-2-33336,Cc1cncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(-c6conn6)nc5)n34)c2)n1,RCFFVNGVHXWMOQ-UHFFFAOYSA-N,2,1,0.511,6,218,477.488,3.623,6,0.336,0.58,1.0,0.4833715989308478,0.3270166541018436,0.2718113905832362,0.22669796449866356,0.3272244020286478
EOS-2-33337,COc1cnc(C)nc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cnn(C)c5)cn4)n23)cn1,RNWTUWJNRFHCFP-UHFFFAOYSA-N,2,1,0.267,86,652,477.492,2.818,6,0.365,0.65,0.998,0.09405626756219587,0.02971866218902063,0.12226715098348297,0.07309300253580975,0.0797837708176273
EOS-2-33338,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ncnc(-n6ccc(C)n6)n5)n34)cc2)n1,BVSKXIMEKOROFH-UHFFFAOYSA-N,2,1,0.386,56,350,477.492,2.815,6,0.352,0.61,1.0,0.26525769309848535,0.17443115619217325,0.06593105338907546,0.04441093824960592,0.13750771023233502
EOS-2-33339,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnnn6C)ccn5)n34)cc2)nn1,ITSZBUZAECZUEB-UHFFFAOYSA-N,2,1,0.527,71,415,477.492,2.721,6,0.352,0.63,1.0,0.292372010143239,0.19582276745939278,0.12227571790829964,0.10137242135563018,0.17796072921664038
EOS-2-33340,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6C)cn5)n34)cn2)nn1,XGJLVYCLPSZYOP-UHFFFAOYSA-N,2,1,0.433,80,843,477.492,2.815,6,0.352,0.57,1.0,0.24367760948529915,0.17443972311698994,0.11065896785689809,0.06578541566719211,0.14864042903159483
EOS-2-33341,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)n1C,UTTHZZLRSWCRDI-UHFFFAOYSA-N,2,1,0.447,56,621,477.492,2.721,6,0.352,0.7,1.0,0.379797477897334,0.210001028030978,0.09768007675964636,0.07310156946062642,0.1901450380371462
EOS-2-33342,Cn1cc(-c2cncc(CCOc3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)cn1,NWOAOYGEZJQFQA-UHFFFAOYSA-N,2,1,0.384,80,549,477.492,2.455,6,0.337,0.63,1.0,0.3590569529161812,0.14651154821465287,0.15469296141457062,0.12613083407580014,0.1965980741553012
EOS-2-33343,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6nc[nH]n6)n5)n34)ccc2C)nn1,NQTDQMGTTAJARI-UHFFFAOYSA-N,2,1,0.447,71,506,477.492,3.019,6,0.38,0.61,1.0,0.3231786717839764,0.2922606401206223,0.10543314371873072,0.07512336371736002,0.19899895483517235
EOS-2-33344,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cc2)n(C)n1,UNGKCBWJSLQJQO-UHFFFAOYSA-N,2,1,0.441,56,350,477.492,2.721,6,0.352,0.69,1.0,0.3309660064423275,0.1912137619080255,0.11066753478171476,0.07700808717702694,0.17746384757727365
EOS-2-33345,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nn5)n34)nn2)cn1,CUPRLESLLVHWAM-UHFFFAOYSA-N,2,1,0.389,71,826,477.492,2.896,6,0.338,0.66,1.0,0.1801966965937907,0.11816359399629908,0.09768864368446302,0.08054622712631074,0.11914879035021589
EOS-2-33346,Cc1cncnc1-c1ncc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,OSADEAAYTSBTKD-UHFFFAOYSA-N,2,1,0.472,56,8,477.492,2.721,6,0.352,0.63,1.0,0.43561956000274143,0.21996436159276267,0.09769721060927969,0.06929785484202591,0.20564474676170244
EOS-2-33347,Cn1nc(-c2ccccc2)nc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)nn3)n12,HCLIOPDESRBWCS-UHFFFAOYSA-N,2,1,0.438,71,826,477.492,2.455,6,0.337,0.62,0.999,0.3257915838530601,0.19122232883284215,0.02678020697690357,0.03507299019943801,0.14471677746556094
EOS-2-33348,c1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(-c6nnc7n6CCC7)cc5)n34)n2)cc1,YDOFRORDPOHIGX-UHFFFAOYSA-N,2,1,0.411,67,288,477.492,2.551,7,0.356,0.62,1.0,0.2246076348433966,0.18270680556507435,0.0023045027756836405,0.007487492289767665,0.10427660886848056
EOS-2-33349,COc1cc(-c2nnnn2C)ncc1-c1cncc2nnc(-c3ccc(-c4cnc(C)nc4)cc3)n12,ZQPFWXJNPCHXEQ-UHFFFAOYSA-N,2,1,0.341,98,213,477.492,2.818,6,0.365,0.62,1.0,0.1335155232677678,0.05743266397094099,0.13656534850250154,0.10138098828044685,0.1072236310054143
EOS-2-33350,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnccn5)n4)n23)nc1,OOXLSQPHRYZAGI-UHFFFAOYSA-N,2,1,0.37,80,277,477.492,2.896,6,0.338,0.6,0.999,0.24132170516071552,0.10904838599136454,0.13045713110821738,0.0951956685628127,0.14400572270577755
EOS-2-33351,Cc1c(-c2nnc3cncc(OCc4ncnc(-c5cccnn5)n4)n23)c(-c2ccccc2)nn1C,FRVUNHBXRCVFJY-UHFFFAOYSA-N,2,1,0.376,71,839,477.492,2.721,6,0.352,0.52,0.999,0.18586800082242477,0.12522274004523337,0.022702350764169692,0.0210232335001028,0.08870408128298267
EOS-2-33352,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccncn6)nn5C)n34)cc2)nn1,CIKFJCRKVXQDNI-UHFFFAOYSA-N,2,1,0.408,71,415,477.492,2.721,6,0.352,0.64,0.603,0.3520063737920636,0.31755876910424236,0.052480981426907,0.04441950517442259,0.1916164073744089
EOS-2-33353,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6ccnn6)nc5)n34)cn2)nn1,RHXASLLCFNZESP-UHFFFAOYSA-N,2,1,0.461,6,843,477.492,2.549,6,0.337,0.64,1.0,0.3475944075114797,0.21496984442464534,0.11928586114728257,0.09139195394421218,0.19331051675690494
EOS-2-33354,COc1ccc(-c2nc(C)ncc2-c2nnc3cncc(-c4cnc(-c5cnn(C)c5)cn4)n23)cn1,RPPMAESLVHQVEU-UHFFFAOYSA-N,2,1,0.277,86,812,477.492,2.818,6,0.365,0.6,1.0,0.12791275443766706,0.07274175861832637,0.1365739154273182,0.0770166541018436,0.1035612706462888
EOS-2-33355,Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c(-c2cnnn2C)n1,PRVBVGFTWJWNNQ-UHFFFAOYSA-N,2,1,0.452,80,147,477.492,2.721,6,0.352,0.63,1.0,0.32838736207251046,0.16588136522513877,0.11335754917414845,0.09140052086902885,0.17475669933520663
EOS-2-33356,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cscn5)n34)ncn2)s1,ZTNHLKBBDGAZPC-UHFFFAOYSA-N,2,1,0.511,31,194,422.499,3.091,5,0.411,0.56,0.942,0.45448392844904395,0.29728085806318966,0.036572202042354875,0.029821465286820642,0.2045396134603523
EOS-2-33357,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)cn2)s1,HTVXLZWNPSMHBS-UHFFFAOYSA-N,2,1,0.59,58,579,422.499,3.091,5,0.411,0.73,0.998,0.5340792269207045,0.5436399150161059,0.01576314166266877,0.013767048180385169,0.27681233294496604
EOS-2-33358,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)nc4)n23)n1,IOOPIMIWPTYERR-UHFFFAOYSA-N,2,1,0.46,4,617,422.499,3.357,5,0.425,0.71,1.0,0.33586628743746144,0.38028579261188405,0.018958604619285863,0.011865190871084915,0.18674396888492908
EOS-2-33359,Cc1csc(COc2cncc3nnc(-c4cc(-c5ncc(C)s5)ncn4)n23)n1,DHRKCFZRLPHJQL-UHFFFAOYSA-N,2,1,0.404,31,238,422.499,3.357,5,0.425,0.6,0.819,0.2784764580906038,0.1870845041463916,0.019883832499485984,0.011873757795901583,0.12432963813309575
EOS-2-33360,Cc1nsc(COc2cncc3nnc(-c4cccc(-c5nnc(C)s5)c4)n23)n1,PVGOXSBKENLNGG-UHFFFAOYSA-N,2,1,0.458,36,506,422.499,3.357,5,0.425,0.61,1.0,0.28678637516277156,0.3513381536563635,0.015771708587485438,0.01227640326228497,0.16654316016722637
EOS-2-33361,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cc5F)n34)cn2)cc1,NENHZYDGORMQDP-UHFFFAOYSA-N,2,1,0.441,41,722,477.503,5.494,6,0.326,0.74,1.0,0.6451836748680694,0.6437358645740525,0.77468131039682,0.707705092180111,0.6928264855047632
EOS-2-33362,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccccc6)c(F)c5)n34)cc2)n1,KOBWTAOXDXMHPP-UHFFFAOYSA-N,2,1,0.506,12,285,477.503,4.972,6,0.337,0.7,1.0,0.7516876841888835,0.5436484819409225,0.7345452676307312,0.6854567884312247,0.6788345555479405
EOS-2-33363,Cn1c(COc2cncc3nnc(-c4ccc(F)cc4)n23)ccc1-c1cnc(-c2ccccc2)cn1,KALFHDVDQDHYOW-UHFFFAOYSA-N,2,1,0.517,12,177,477.503,4.972,6,0.337,0.68,1.0,0.7664313617983689,0.7747241450209033,0.7108834212870948,0.6880611335754917,0.7350250154204647
EOS-2-33364,Cn1nc(-c2ccc(-c3ccccc3)cn2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,IFBXEBFFYFIDML-UHFFFAOYSA-N,2,1,0.517,12,285,477.503,4.972,6,0.337,0.72,1.0,0.6605527379891714,0.707602289082311,0.657545747378521,0.6676375848125556,0.6733345898156398
EOS-2-33365,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5OCc5ccccc5)n34)nc2)cn1,XTJBJDZNDOZIQR-UHFFFAOYSA-N,2,1,0.374,30,714,477.503,4.972,6,0.337,0.74,1.0,0.34760297443629634,0.4180916318278391,0.8010845726817901,0.7553543280104174,0.5805333767390857
EOS-2-33366,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccc(F)nc6)cc5)n34)cc2)cn1,OXSKNUXICVIUCH-UHFFFAOYSA-N,2,1,0.537,77,190,477.503,4.972,6,0.315,0.68,1.0,0.6849684737166747,0.5766996778836269,0.8660304297169488,0.8115619217325749,0.7348151257624562
EOS-2-33367,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)nc2)cn1,REDDNLWQGAGDDP-UHFFFAOYSA-N,2,1,0.571,12,285,477.503,4.972,6,0.337,0.78,1.0,0.5315005825508875,0.5253752313069701,0.8090261119868412,0.7683503529573025,0.6585630697005003
EOS-2-33368,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cn3)n12,APYPAUMZBXLPEY-UHFFFAOYSA-N,2,1,0.309,69,192,477.503,5.069,6,0.345,0.74,1.0,0.3499760126105133,0.36098451099993145,0.7561596189431842,0.7022308272222603,0.5423377424439723
EOS-2-33369,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)c1,HHVRXAGOEBLHOE-UHFFFAOYSA-N,2,1,0.62,12,492,477.503,4.972,6,0.337,0.76,1.0,0.8898978822561853,0.7259783428140635,0.777105750119937,0.7730450277568364,0.7915067507367555
EOS-2-33370,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)cc1,XQZBRCBDNUABKJ-UHFFFAOYSA-N,2,1,0.523,77,933,477.503,5.066,6,0.333,0.67,1.0,0.8030892330888905,0.5113854430813515,0.7965269686793228,0.7213522034130628,0.7080884620656569
EOS-2-33371,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccc(F)cc6)nc5)n34)cc2)cn1,IYQGEMXOPVGYSC-UHFFFAOYSA-N,2,1,0.578,77,190,477.503,4.972,6,0.337,0.78,1.0,0.69999485984511,0.5965578096086629,0.8347354533616613,0.7847902816804879,0.7290196011239806
EOS-2-33372,Cn1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)c(-c2cccnc2)n1,ZFYKYMGMAXFMSO-UHFFFAOYSA-N,2,1,0.566,12,492,477.503,4.972,6,0.337,0.76,1.0,0.5793896922760606,0.6011154136111302,0.742135563018299,0.7348022753752314,0.6643607360701802
EOS-2-33373,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccc(F)cc4)n23)cc1,GGBSUYSCVAQBGQ-UHFFFAOYSA-N,2,1,0.593,12,994,477.503,4.972,6,0.337,0.73,1.0,0.889906449181002,0.7490747721197999,0.7631159618943184,0.7606486875471181,0.7906864676855596
EOS-2-33374,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccc5)c4)n23)cc1,KTCQPNILUOYIQS-UHFFFAOYSA-N,2,1,0.58,12,994,477.503,4.972,6,0.337,0.69,1.0,0.8593910629840312,0.6683829072716058,0.767922006716469,0.7581471455006511,0.7634607806181893
EOS-2-33375,COc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cc2)c1F,MWVROZFEYIRHKD-UHFFFAOYSA-N,2,1,0.373,9,538,477.503,5.069,6,0.345,0.7,1.0,0.347611541361113,0.43151600301555754,0.7965355356041396,0.745176821328216,0.5802099753272565
EOS-2-33376,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)cc1,HYAVDFGAGKDEOI-UHFFFAOYSA-N,2,1,0.568,12,994,477.503,4.972,6,0.337,0.75,1.0,0.8593996299088479,0.7028819135083271,0.7795644575423206,0.773053594681653,0.7787248989102871
EOS-2-33377,CCOc1cc(-c2ncccc2F)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,ZIVNNWOLSDGZCT-UHFFFAOYSA-N,2,1,0.371,30,668,477.503,5.244,6,0.326,0.68,1.0,0.07381262422040984,0.26076862449455146,0.7058803371941608,0.6734373929134397,0.4284747447056405
EOS-2-33378,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)cc5)c4)n23)c1,NPYCPHWSGVSYSO-UHFFFAOYSA-N,2,1,0.578,12,994,477.503,4.972,6,0.337,0.74,1.0,0.7307329860873141,0.6157648550476321,0.7656603385648687,0.7659773147830855,0.7195338736207251
EOS-2-33379,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)n2)cn1,PSIKWSVHEOPILM-UHFFFAOYSA-N,2,1,0.529,12,492,477.503,4.972,6,0.337,0.78,1.0,0.5109485299157015,0.5918545678843122,0.7795730244671373,0.7451853882530327,0.6568903776300459
EOS-2-33380,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1nccs1,YNTDYEXYGNEXRS-UHFFFAOYSA-N,2,1,0.5,97,383,422.495,3.959,5,0.409,0.68,1.0,0.4196336782948393,0.33647453909944486,0.2609913645397848,0.17826913851004045,0.29884218011102737
EOS-2-33381,Cc1cc(F)c(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)nc5)n34)c2)nn1,NHBXBUMRYFKDGU-UHFFFAOYSA-N,2,1,0.297,98,727,477.507,4.467,6,0.369,0.65,1.0,0.2544719347543006,0.24078198889726543,0.40511274073058734,0.3711191830580495,0.31787146186005066
EOS-2-33382,CC(C)n1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)cc4)n23)cn1,ZUEQCFJOQNUATO-UHFFFAOYSA-N,2,1,0.3,9,339,477.507,4.894,6,0.326,0.7,1.0,0.16355116167500514,0.24079055582208211,0.5913748200945789,0.5435542457679391,0.38481769583990133
EOS-2-33383,Cn1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)c1C1CC1,MHGODWBLTPXYFI-UHFFFAOYSA-N,2,1,0.289,9,7,477.507,4.66,7,0.387,0.5,1.0,0.14427558083750258,0.29226920704543896,0.167500514015489,0.3547392228085806,0.23969613117675279
EOS-2-33384,CCCCOc1cncc2nnc(-c3ccc(-c4nc(C)nn4C(C)C)c(OC)n3)n12,ZCIDPRUEOKZVMP-UHFFFAOYSA-N,2,1,0.389,78,792,422.493,3.522,4,0.397,0.61,0.937,0.23580460557878144,0.1022976492358303,0.005054485641834007,0.0005482831882667398,0.08592625591117813
EOS-2-33385,CCn1c(-c2cncc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4C)nc3)n12,AOWWPMUVLGVYDK-UHFFFAOYSA-N,2,1,0.304,8,474,477.507,4.641,6,0.357,0.71,0.631,0.18878932218490851,0.2972894249880063,0.23963402097183195,0.33583201973819476,0.2653861969707354
EOS-2-33386,Cc1cc(C)cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)c1,KXWNQPLDHASVML-UHFFFAOYSA-N,2,1,0.576,11,796,422.492,4.487,5,0.401,0.78,1.0,0.6571773696114043,0.5820283051195942,0.5116852854499349,0.43132753066959084,0.5455546227126311
EOS-2-33387,COCCOc1nc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1nncs1,PSFJBYKIRUEEPX-UHFFFAOYSA-N,2,1,0.37,31,456,477.51,2.142,5,0.274,0.65,0.999,0.2978291412514564,0.1318878075526009,0.016482763347268864,0.009046672606401206,0.11381159618943183
EOS-2-33388,OCc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)cc1,BTGKAFIVAWBWKE-UHFFFAOYSA-N,2,1,0.758,79,650,422.488,4.572,5,0.416,0.86,1.0,0.9541840860804606,0.8856829552463847,0.8585172366527312,0.8258001507778767,0.8810461071893634
EOS-2-33389,Cc1nsc(COc2cncc3nnc(-c4cc(-c5cn(C)nc5C)n(C)n4)n23)n1,CWUWJQYJQYBJCD-UHFFFAOYSA-N,2,1,0.374,31,105,422.478,1.973,5,0.422,0.71,0.86,0.021460146665752862,0.009063806456034542,0.0057484065519841,0.001704818038516894,0.0094942944280721
EOS-2-33390,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)s2)cn1,QDEDYSMPDLOKKJ-UHFFFAOYSA-N,2,1,0.319,38,983,422.477,4.367,6,0.453,0.67,1.0,0.12230998560756631,0.1870930710712083,0.44875265574669315,0.45975258721129464,0.3044770749091906
EOS-2-33391,c1cncc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cs2)c1,HSQUNFPMBDQUCJ-UHFFFAOYSA-N,2,1,0.286,38,787,422.477,4.367,6,0.453,0.64,1.0,0.05880337194160784,0.1744482900418066,0.3870365293674183,0.4185285449934891,0.2597041840860804
EOS-2-33392,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)sn1,OORHMMOWYCAXKS-UHFFFAOYSA-N,2,1,0.311,9,834,422.477,4.367,6,0.453,0.65,1.0,0.13091117812350078,0.15447878829415393,0.5044291001302172,0.5198409978754026,0.32741501610581863
EOS-2-33393,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)n1,SVQZMOSAHPGDFR-UHFFFAOYSA-N,2,1,0.31,9,556,422.477,4.367,6,0.453,0.75,1.0,0.09406483448701254,0.16588993214995545,0.4525820711397437,0.4534730313206771,0.2915024672743472
EOS-2-33394,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cn5)n34)s2)nc1,DAOPXPCSWXVHMW-UHFFFAOYSA-N,2,1,0.284,76,368,422.477,4.367,6,0.453,0.63,1.0,0.0758429854019601,0.15448735521897058,0.33067473099856076,0.3680607908984991,0.23226646562949763
EOS-2-33395,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)n1,YDSSHEDQFWTFNH-UHFFFAOYSA-N,2,1,0.31,9,556,422.477,4.367,6,0.453,0.75,1.0,0.09407340141182921,0.16987355218970598,0.45259063806456035,0.4534815982454938,0.2925047974778973
EOS-2-33396,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c1,VVNRWRDDOGFMAJ-UHFFFAOYSA-N,2,1,0.28,38,154,422.477,4.367,6,0.453,0.68,1.0,0.18587656774724146,0.2253272565279967,0.4234031252141731,0.44380097320265915,0.3196019806730176
EOS-2-33397,c1cc(-c2cscn2)cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,CPURWIZKGXJXIG-UHFFFAOYSA-N,2,1,0.311,9,556,422.477,4.367,6,0.453,0.65,1.0,0.11443698170104859,0.14286203824275237,0.49073058734836544,0.5031868960318004,0.3128041258309917
EOS-2-33398,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cc2)n[nH]1,UIKCXIIBZHPXOH-UHFFFAOYSA-N,2,1,0.31,9,556,422.477,4.367,6,0.453,0.66,1.0,0.11715269686793228,0.1658984990747721,0.5044376670550339,0.509594955794668,0.3242709546981016
EOS-2-33399,c1ccc(-n2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)n2)cc1,PMMZNBPDZBYNSV-UHFFFAOYSA-N,2,1,0.276,30,195,422.477,4.163,6,0.424,0.69,0.99,0.0015848810910835446,0.020303611815502706,0.30850352957302446,0.3616441642108149,0.17300904667260641
EOS-2-33400,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)nc5)n34)cn2)cc1,RZZMRUIZAFXAOA-UHFFFAOYSA-N,2,1,0.293,30,195,422.477,4.163,6,0.424,0.69,0.911,0.00402645466383387,0.07275032554314304,0.31231581111644163,0.34847680076759646,0.18439234802275375
EOS-2-33401,c1cncc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)n2)c1,GVWCQJNPFFSKQO-UHFFFAOYSA-N,2,1,0.286,38,289,422.477,4.163,6,0.424,0.69,1.0,0.04007607429237201,0.0727588924679597,0.31602528956205883,0.377835652114317,0.2016739771091769
EOS-2-33402,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)ccn1,AHECEWWBFLRNCZ-UHFFFAOYSA-N,2,1,0.278,38,7,422.477,4.367,6,0.453,0.66,1.0,0.13632547460763483,0.13924679597011858,0.43439448975395795,0.4628623809197451,0.2932072853128641
EOS-2-33403,Cn1cnc(-c2c(-c3nnc4cncc(OCCc5cscc5O)n34)cnn2C)c1,HKSMLHFFESUQNM-UHFFFAOYSA-N,2,1,0.47,65,986,422.474,2.314,5,0.447,0.56,0.995,0.22461620176821329,0.07972380234391063,0.06389212528270852,0.044428072099239255,0.10316505037351792
EOS-2-33404,c1cncc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cs2)c1,XAYCSOLIMLQDNO-UHFFFAOYSA-N,2,1,0.319,32,479,422.473,5.237,6,0.387,0.76,1.0,0.053654650126790486,0.1286495099719005,0.5189157699952025,0.5530378315399904,0.313564440408471
EOS-2-33405,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)cc2)c1,JTBMFFWYDKXQJU-UHFFFAOYSA-N,2,1,0.333,32,818,422.473,5.237,6,0.387,0.74,1.0,0.09653210883421287,0.1318963744774176,0.636865190871085,0.6418083064903023,0.3767754951682544
EOS-2-33406,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cn5)n34)s2)ccn1,XLXBLZVOGGKNEC-UHFFFAOYSA-N,2,1,0.296,32,957,422.473,5.237,6,0.387,0.72,1.0,0.053663217051607155,0.10230621616064697,0.5850181618806113,0.6156020834761154,0.3391474196422452
EOS-2-33407,c1ccc(-c2nocc2-c2nnc3cncc(-c4cccc(-c5cncs5)c4)n23)cc1,BQUABGLFXPGNLR-UHFFFAOYSA-N,2,1,0.333,69,220,422.473,5.237,6,0.387,0.62,1.0,0.07191933383592626,0.09605236104447948,0.5288448358577205,0.6029658693715304,0.3249456000274141
EOS-2-33408,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)cn2)o1,GQVOUHVTDAIPPU-UHFFFAOYSA-N,2,1,0.338,42,174,422.473,5.237,6,0.387,0.81,1.0,0.18313515180590775,0.1659070659995888,0.6793485710369406,0.6794256733602906,0.4269541155506819
EOS-2-33409,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)cc2)o1,WSMPVIUSWRIGIA-UHFFFAOYSA-N,2,1,0.377,69,958,422.473,5.237,6,0.387,0.69,1.0,0.18020526351860736,0.21997292851757932,0.7108919882119115,0.7047580700431773,0.4539570625728188
EOS-2-33410,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)n1,OSCKITJTWPFXTO-UHFFFAOYSA-N,2,1,0.333,69,958,422.473,5.237,6,0.387,0.75,1.0,0.16899972585840586,0.21000959495579466,0.6517630731272702,0.6389212528270852,0.41742341169213903
EOS-2-33411,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)s2)nc1,IVMRAEWJEQHYNL-UHFFFAOYSA-N,2,1,0.315,32,126,422.473,5.237,6,0.387,0.72,1.0,0.1469313275306696,0.12865807689671716,0.5490799122746899,0.57556027688301,0.3500573983962717
EOS-2-33412,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cc2)sn1,ZVASJCQWUREOMO-UHFFFAOYSA-N,2,1,0.377,69,958,422.473,5.237,6,0.387,0.71,1.0,0.18021383044342404,0.16988211911452264,0.6982900418065932,0.6994123089575766,0.4369495750805291
EOS-2-33413,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)c1,SUMFOIJGXGCMTK-UHFFFAOYSA-N,2,1,0.328,69,894,422.473,5.237,6,0.387,0.75,1.0,0.047220889589472965,0.08971283668014529,0.6710557878144061,0.6994208758823932,0.3768525974916044
EOS-2-33414,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)o2)cc1,YLUYXSIQNURHEH-UHFFFAOYSA-N,2,1,0.368,93,641,422.473,5.237,6,0.387,0.85,1.0,0.15279967103008704,0.19583133438420944,0.4701185662394627,0.5498852032074566,0.34215869371530394
EOS-2-33415,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cn5)n34)s2)nc1,HGXRNFIRCRYSNL-UHFFFAOYSA-N,2,1,0.326,76,368,422.473,5.237,6,0.387,0.63,1.0,0.07585155232677677,0.10905695291618121,0.4974299225549997,0.5366835720649715,0.30475549996573226
EOS-2-33416,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)cc2)c1,QMOJBKDAVMQBFZ-UHFFFAOYSA-N,2,1,0.344,32,479,422.473,5.237,6,0.387,0.78,1.0,0.07795901583167707,0.13546878212596805,0.552455280652457,0.5661709272839421,0.33301350147351105
EOS-2-33417,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnsc6)cc5)n34)cc2)o1,PJQNBMNNMWVPTM-UHFFFAOYSA-N,2,1,0.377,69,958,422.473,5.237,6,0.387,0.64,1.0,0.16900829278322255,0.15820540058940444,0.7393341786032486,0.737440888218765,0.4509971900486601
EOS-2-33418,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cc2)n1,IXHGZXFIHMRBLK-UHFFFAOYSA-N,2,1,0.333,69,958,422.473,5.237,6,0.387,0.75,1.0,0.1690168597080392,0.20511788088547736,0.6517716400520869,0.6389298197519019,0.41620905009937637
EOS-2-33419,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)c1,CPUALFMHQBRJMU-UHFFFAOYSA-N,2,1,0.344,32,479,422.473,5.237,6,0.387,0.71,1.0,0.08442704406826125,0.13547734905078473,0.6192173257487492,0.6241861421424165,0.3658269652525529
EOS-2-33420,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cc2)o1,RZRCAQDXZAUIPK-UHFFFAOYSA-N,2,1,0.354,41,818,422.473,5.237,6,0.387,0.76,1.0,0.1663011445411555,0.15449592214378727,0.6793571379617572,0.6794342402851072,0.4198971112329518
EOS-2-33421,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccco6)cc5)n34)s2)nc1,ZPELZQCCOCGFDC-UHFFFAOYSA-N,2,1,0.31,32,20,422.473,5.237,6,0.387,0.69,1.0,0.05039921869645672,0.0990507847303132,0.42341169213898977,0.49024227263381537,0.26577599204989377
EOS-2-33422,COc1cc(-c2nnc3cncc(OCCc4ccnc5ccccc45)n23)ccc1-c1ccnn1C,OIOKYOLHRMECHW-UHFFFAOYSA-N,2,1,0.49,91,955,477.528,4.37,6,0.337,0.71,1.0,0.4544924953738606,0.24575080529093277,0.5490884791995065,0.4345915290247413,0.4209808272222603
EOS-2-33423,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5cc6ccccc6nc5OCCCO)n34)cc2)n1,OKGBJWCBBTXNQP-UHFFFAOYSA-N,2,1,0.311,9,366,477.528,4.168,6,0.344,0.61,1.0,0.3134466451922418,0.19123089575765884,0.38704509629223494,0.37112774998286613,0.3157125968062504
EOS-2-33424,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnn(C)c5)c4)n23)cc1,RZBFVJKADXYBBT-UHFFFAOYSA-N,2,1,0.494,67,755,477.532,4.049,6,0.342,0.69,1.0,0.39103728325680215,0.23033890754574737,0.3870536632170516,0.31370365293674185,0.3305333767390857
EOS-2-33425,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n(C)n2)n1C,VVQRUNZUPYNTBU-UHFFFAOYSA-N,2,1,0.464,67,755,477.532,3.875,6,0.359,0.66,0.931,0.3728240010965664,0.35134672058118016,0.11336611609896512,0.13262456308683435,0.2425403502158865
EOS-2-33426,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccn(C)n5)c4)n23)cc1,OYPDPWXYBDOXTE-UHFFFAOYSA-N,2,1,0.484,67,755,477.532,4.049,6,0.342,0.66,1.0,0.41964224521965593,0.25577410732643413,0.3306832979233774,0.26231067096155164,0.3171025803577548
EOS-2-33427,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6C)cc5)n34)cc2)n(C)n1,YAGCWVHHIUKILA-UHFFFAOYSA-N,2,1,0.506,40,933,477.532,3.968,6,0.358,0.65,1.0,0.3910458501816188,0.214978411349462,0.2794273867452539,0.18643341786032486,0.2679712665341649
EOS-2-33428,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C)c5)cc4)n23)cc1,KAPCXXACHFDOJO-UHFFFAOYSA-N,2,1,0.5,67,755,477.532,4.049,6,0.342,0.69,1.0,0.3975995476663697,0.2253358234528134,0.4014803646083202,0.3168048797203756,0.3353051538619697
EOS-2-33429,Cn1nc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1ncc(-c2nnco2)s1,FKBNCTGZWOWVTN-UHFFFAOYSA-N,2,1,0.404,53,466,477.535,3.381,6,0.34,0.51,0.992,0.19990062367212666,0.05361181550270715,0.024681310396819957,0.024261531080803235,0.07561382016311426
EOS-2-33430,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccnc6)nn5C(C)(C)C)n34)cc2)n1,SEDADIYRWFXOFX-UHFFFAOYSA-N,2,1,0.286,98,882,477.536,3.662,6,0.378,0.62,1.0,0.04156671921047221,0.06539133712562538,0.09770577753409636,0.044436639024055924,0.062275118223562465
EOS-2-33431,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnnn6C)nn5C(C)C)n34)cc2)nn1,YXVNRSLHKQCRQB-UHFFFAOYSA-N,2,1,0.275,98,63,477.536,3.797,6,0.368,0.72,0.982,0.030506819272154068,0.046304228634089506,0.11337468302378179,0.06930642176684257,0.06487303817421698
EOS-2-33432,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(C#N)c4)n23)cc1,RDDGTEXTWUQRRP-UHFFFAOYSA-N,2,1,0.56,15,320,422.452,3.08,5,0.414,0.69,1.0,0.9048728668357207,0.6342694126516346,0.5786358028921939,0.4751730518812967,0.6482377835652114
EOS-2-33433,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)cn1,SXUXPHUSIRHBPA-UHFFFAOYSA-N,2,1,0.628,89,56,422.452,3.08,5,0.414,0.79,1.0,0.7516962511137002,0.5767082448084435,0.5389880748406553,0.46287094784456173,0.5825658796518401
EOS-2-33434,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cnccc4C#N)n23)cc1,PYIMWQSUCHWSSV-UHFFFAOYSA-N,2,1,0.512,16,256,422.452,3.346,5,0.427,0.69,1.0,0.4661263792748955,0.34658351038311286,0.6011068466863135,0.47810294016859706,0.4729799191282297
EOS-2-33435,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5C#N)n34)cn2)n1,ZPMDYPHPTJAKIF-UHFFFAOYSA-N,2,1,0.542,89,73,422.452,3.08,5,0.414,0.74,1.0,0.6168271537248989,0.4839884175176479,0.4804588444931807,0.4123089575765883,0.498395843328079
EOS-2-33436,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(C#N)c4)n23)cc1,UJUKUKHXZFGXFW-UHFFFAOYSA-N,2,1,0.537,43,520,422.452,3.52,5,0.412,0.68,1.0,0.6790658625179905,0.4982609142622164,0.5044462339798506,0.4659036392296621,0.5369191624974299
EOS-2-33437,Cn1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)c(C#N)n4)n23)c1,WSDXOWLMDHVHKH-UHFFFAOYSA-N,2,1,0.432,15,54,422.452,3.08,5,0.414,0.65,1.0,0.5793982592008773,0.34148619011719555,0.3085120964978411,0.29791481049962304,0.38182783907888423
EOS-2-33438,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)cc4)n23)cc1,DSBOWOITXRDLIH-UHFFFAOYSA-N,2,1,0.544,89,520,422.452,3.52,5,0.412,0.66,1.0,0.6637310670961551,0.4982694811870331,0.5219313275306696,0.47811150709341377,0.540510845726818
EOS-2-33439,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(C#N)cc5)n34)ccn2)cn1,PSSBVNPLCAGMGL-UHFFFAOYSA-N,2,1,0.477,89,329,422.452,3.52,5,0.412,0.77,1.0,0.3159224864642588,0.2661400863546022,0.5786443698170105,0.490250839558632,0.41273944554862585
EOS-2-33440,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)cc5)n34)cn2)cn1,PZVJHEOCNQKLGE-UHFFFAOYSA-N,2,1,0.46,89,860,422.452,3.52,5,0.412,0.72,1.0,0.37980604482215063,0.37060516756904943,0.5690322801727092,0.4812127338770475,0.4501640566102392
EOS-2-33441,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(C#N)c5)n34)cn2)c1,ZMQWCSOUTVRFHZ-UHFFFAOYSA-N,2,1,0.585,84,56,422.452,3.08,5,0.414,0.79,1.0,0.8527773970255637,0.6389469536015352,0.5321088342128709,0.4628795147693784,0.621678174902337
EOS-2-33442,Cc1ccc(-c2cncc(-c3nnc4cncc(OCC=Cc5ccncc5)n34)c2)nn1,AKEFJHBXWMYOTK-UHFFFAOYSA-N,2,1,0.406,87,142,422.452,3.439,5,0.41,0.6,1.0,0.4736738400383798,0.3706137344938661,0.36430847782879855,0.24705297786306626,0.3639122575560277
EOS-2-33443,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(C#N)cc4)n23)c1,WZKVHJKOYOLXLE-UHFFFAOYSA-N,2,1,0.429,89,328,422.452,3.52,5,0.412,0.81,1.0,0.46363340415324517,0.2922777739702556,0.6336868617641012,0.5498937701322734,0.48487295250496887
EOS-2-33444,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)n1,CSFBPZOGWVYYRM-UHFFFAOYSA-N,2,1,0.506,16,256,422.449,3.244,5,0.414,0.67,1.0,0.4884260845726818,0.5208004934548695,0.16133232814748819,0.16463916112672194,0.3337995168254403
EOS-2-33445,Cc1nccc(COc2cncc3nnc(-c4cnc(-c5cncn5C)s4)n23)c1F,ZQZHVUKRRNTIBD-UHFFFAOYSA-N,2,1,0.426,7,823,422.449,3.07,5,0.429,0.5,1.0,0.4219724487697896,0.3315485573298609,0.20770509218011102,0.16464772805153863,0.28146845658282504
EOS-2-33446,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)nn2C)s1,WEUXVKRNGCAWEI-UHFFFAOYSA-N,2,1,0.419,95,694,422.449,3.07,5,0.402,0.58,1.0,0.27064628880816943,0.24575937221574942,0.2006887807552601,0.1727948735521897,0.22247232883284215
EOS-2-33447,Cc1ncsc1COc1cncc2nnc(-c3ccnc(-c4cn(C)nc4F)c3)n12,SIQFKDSIWMACBC-UHFFFAOYSA-N,2,1,0.477,92,329,422.449,3.07,5,0.429,0.65,1.0,0.3845007196216846,0.41810019875265575,0.17722397368240697,0.13928106366938522,0.2797764889315331
EOS-2-33448,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5nncs5)n34)ccc2F)cn1,HAJXLOGPDKPFQT-UHFFFAOYSA-N,2,1,0.524,37,394,422.449,2.804,5,0.415,0.73,1.0,0.5765968747858269,0.6488588856144198,0.23579603865396478,0.2652319923240354,0.43162094784456173
EOS-2-33449,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cscc5F)n34)cn2)n(C)n1,JHWQNCCIEOYIAU-UHFFFAOYSA-N,2,1,0.46,92,45,422.449,3.07,5,0.429,0.64,1.0,0.5033839353025837,0.5113940100061681,0.1397950791583853,0.13460352271948461,0.3222941367966554
EOS-2-33450,Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5ncnn5C)c4)n23)cs1,DYYPMHVXGNKWQU-UHFFFAOYSA-N,2,1,0.518,4,677,422.449,3.07,5,0.429,0.73,1.0,0.43119045987252413,0.5668648481940922,0.18361489959564115,0.16465629497635528,0.3365816256596532
EOS-2-33451,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1F,NHFOCEIIOMOVSA-UHFFFAOYSA-N,2,1,0.578,36,447,422.449,2.804,5,0.415,0.72,1.0,0.6880611335754917,0.6540504420533205,0.19705640463299295,0.24135597285998217,0.44513098828044684
EOS-2-33452,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(CF)cs5)n34)cn2)n1,IUILWWCOWIHHDV-UHFFFAOYSA-N,2,1,0.472,92,617,422.449,3.092,5,0.415,0.61,1.0,0.3283959289973271,0.39430128161195255,0.11338324994859846,0.09140908779384552,0.23187238708793093
EOS-2-33453,Cc1csc(COc2cncc3nnc(-c4cc(F)cc(-c5cn(C)nn5)c4)n23)n1,NOQSXBBHJFCSCA-UHFFFAOYSA-N,2,1,0.566,4,677,422.449,3.07,5,0.429,0.71,1.0,0.2466160646974162,0.3802943595367007,0.1936125008566925,0.18115619217325749,0.2504197793160167
EOS-2-33454,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5nc(F)cs5)n34)c2)cn1,MAKAMDNUGHMZHM-UHFFFAOYSA-N,2,1,0.477,92,36,422.449,3.244,5,0.414,0.69,1.0,0.26268761565348503,0.33155712425467754,0.20069734768007677,0.1672606401206223,0.2405506819272154
EOS-2-33455,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cncs1,ZYTZBIBTAHKOFB-UHFFFAOYSA-N,2,1,0.467,95,235,422.449,2.804,5,0.415,0.6,0.965,0.3705194983208827,0.2557826742512508,0.15183160852580357,0.17003632376122269,0.23704252621478994
EOS-2-33456,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccn5)cc4)n23)cc1,KGUJYMLGIGDHKF-UHFFFAOYSA-N,2,1,0.5,62,528,422.448,4.005,5,0.46,0.89,1.0,0.7747155780960866,0.3609930779247481,0.562204441093825,0.4313360975944075,0.5323122986772668
EOS-2-33457,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)cc1,MEWZETGVDTZSHN-UHFFFAOYSA-N,2,1,0.605,89,230,422.448,4.514,5,0.41,0.76,1.0,0.642279487355219,0.5713110821739429,0.7189106298403125,0.6241947090672332,0.6391739771091769
EOS-2-33458,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(=O)n(C)n6)s5)n34)cc2)n1,VBTVAUVHJNWJAZ-UHFFFAOYSA-N,2,1,0.295,38,270,477.553,4.651,6,0.367,0.71,0.666,0.14428414776231924,0.11817216092111575,0.3568723870879309,0.3419745048317456,0.24032580015077787
EOS-2-33459,COc1cc(-c2ncccc2C)ccc1-c1nnc2cncc(-c3ccc(-c4cscn4)cn3)n12,HFFLPFWBRLUDGH-UHFFFAOYSA-N,2,1,0.326,32,20,477.553,5.356,6,0.33,0.68,1.0,0.13352409019258446,0.08323624151874442,0.5253923651566034,0.42195531492015625,0.2910270029470221
EOS-2-33460,COc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3ccc(-c4cccc(C)n4)cc3)n12,UMFZZBNWNCXCEC-UHFFFAOYSA-N,2,1,0.329,69,152,477.553,5.356,6,0.33,0.66,1.0,0.16630971146597218,0.0832448084435611,0.5657597148927421,0.4659122061544788,0.32030661023918855
EOS-2-33461,CCOc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cn4)n23)nc1,WUCOJOGKZAGKNF-UHFFFAOYSA-N,2,1,0.379,32,20,477.553,5.438,6,0.316,0.73,1.0,0.13091974504831747,0.1354859159756014,0.5153005277225687,0.4597611541361113,0.3103668357206497
EOS-2-33462,COc1cc(-c2nnc(C)s2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,VSSXAANGSYTRGN-UHFFFAOYSA-N,2,1,0.297,30,737,477.553,5.356,6,0.33,0.7,1.0,0.08667157837022822,0.03581831265848811,0.4156928928791721,0.3905918031663354,0.23219364676855597
EOS-2-33463,Cc1csc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c1,IVJAHWDRECKISH-UHFFFAOYSA-N,2,1,0.427,28,363,477.553,5.259,6,0.323,0.78,1.0,0.49330066479336576,0.4578678637516277,0.4234202590638065,0.3964515797409362,0.44276009183743403
EOS-2-33464,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cc2)n1,YJRPYSINJIPSET-UHFFFAOYSA-N,2,1,0.558,12,120,477.553,5.259,6,0.323,0.68,1.0,0.43119902679734085,0.4535244328695771,0.5423120416695223,0.45650572270577755,0.4708853060105545
EOS-2-33465,COc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccc6C)cc5)n34)s2)n1,FHRIGXHSISTANG-UHFFFAOYSA-N,2,1,0.299,38,126,477.553,5.356,6,0.33,0.67,1.0,0.27553800287848673,0.23521348776643136,0.3943526831608526,0.3074497978205743,0.30313849290658623
EOS-2-33466,COc1nc(-c2nnc3cncc(OCc4scnc4C)n23)ccc1-c1nc(C)nn1C(C)C,MCNCXGSFVXJERZ-UHFFFAOYSA-N,2,1,0.388,31,456,477.554,3.687,5,0.346,0.51,0.983,0.24939174833801658,0.14287060516756905,0.010545884449318072,0.0015077787677335343,0.10107900418065932
EOS-2-33467,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2F)n1,MMNDRWRPEAFQRL-UHFFFAOYSA-N,2,1,0.571,35,619,422.445,3.972,5,0.409,0.66,1.0,0.8187752724282091,0.6928243437735591,0.3758309917072168,0.3484853676924131,0.5589789939003496
EOS-2-33468,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cnco5)n34)ccc2F)cs1,NWXULTNQOQIVNS-UHFFFAOYSA-N,2,1,0.573,35,684,422.445,3.972,5,0.409,0.8,1.0,0.8481940922486464,0.7447656089370159,0.41570145980398876,0.37784421903913373,0.5966263450071961
EOS-2-33469,c1ncc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccns6)s5)n34)s2)cn1,UJUBYKYWAKVJQG-UHFFFAOYSA-N,2,1,0.372,6,280,477.56,3.864,6,0.352,0.64,0.986,0.1528082379549037,0.14652011513946953,0.032554314303337675,0.04444520594887259,0.09408196833664587
EOS-2-33470,Fc1ccc(-c2cscc2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1,XLARPWKNIGKNOL-UHFFFAOYSA-N,2,1,0.408,96,558,422.435,6.264,5,0.343,0.78,1.0,0.3845092865465013,0.5668734151189089,0.987672195188815,0.9902851072578988,0.732335001028031
EOS-2-33471,OCCc1noc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)n1,FEQOSPQPJXVDTN-UHFFFAOYSA-N,2,1,0.447,7,85,422.43,1.807,5,0.413,0.72,0.985,0.18879788910972517,0.0797323692687273,0.01814474676170242,0.017810636693852376,0.0761214104585018
EOS-2-33472,COc1cc(-c2nnc3cncc(OCc4nc(C)ns4)n23)ccc1-c1ncon1,PGYJUPDWAYFSQF-UHFFFAOYSA-N,2,1,0.483,7,248,422.43,2.589,5,0.403,0.67,1.0,0.33821362483722844,0.25579124117606744,0.03790007538893839,0.01943835240901926,0.1628358234528134
EOS-2-33473,COc1nc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ncon1,GNTMQMWRPRBUHN-UHFFFAOYSA-N,2,1,0.418,7,896,422.43,2.589,5,0.403,0.56,1.0,0.2626961825783017,0.16989068603933932,0.020826194229319445,0.007753066959084367,0.1152915324515112
EOS-2-33474,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)c1,BEGZVBUQYQEHBY-UHFFFAOYSA-N,2,1,0.315,3,668,422.427,4.173,6,0.461,0.77,1.0,0.02827085189500377,0.23034747447056406,0.7421441299431156,0.7708690288534028,0.44290787129052156
EOS-2-33475,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)[nH]2)c1,CGLLXBMRIJGDHK-UHFFFAOYSA-N,2,1,0.3,30,668,422.427,4.173,6,0.461,0.77,0.996,0.0008995271057501199,0.0387482009457885,0.6336954286889178,0.704766636967994,0.3445274484271126
EOS-2-33476,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cnc6ccccc6c5)n34)c(F)c2)n1,IAOUGDXQNNKIIZ-UHFFFAOYSA-N,2,1,0.321,3,693,422.427,3.941,6,0.429,0.76,1.0,0.2812607086560208,0.37553971626345006,0.6192258926735659,0.6647419642245219,0.4851920704543896
EOS-2-33477,Cn1ncc(-c2nnc3cncc(-c4cc5ccccc5nn4)n23)c1-c1ccc(F)cc1,SZZFELCMPGUGLV-UHFFFAOYSA-N,2,1,0.333,3,541,422.427,3.941,6,0.429,0.72,0.999,0.1442927146871359,0.3364831060242615,0.4939603180042492,0.6184463025152491,0.3982956103077239
EOS-2-33478,Fc1cc(-c2cc[nH]n2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,QCFZCDOOSKTBTA-UHFFFAOYSA-N,2,1,0.31,3,668,422.427,4.173,6,0.461,0.77,1.0,0.024732711945719965,0.2457679391405661,0.7058889041189774,0.740019532588582,0.4291022719484614
EOS-2-33479,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)cn1,ARDCNNHSCKHRNZ-UHFFFAOYSA-N,2,1,0.314,3,668,422.423,5.043,6,0.398,0.77,1.0,0.05206120211089028,0.21498697827427868,0.8241724350627099,0.8455554794051128,0.4841940237132479
EOS-2-33480,N#Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)cn5)c4)n23)cc1,QEYKNCXNMXFHPY-UHFFFAOYSA-N,2,1,0.568,1,230,422.423,4.443,5,0.416,0.76,1.0,0.980039065177164,0.9430984853676924,0.9177660886848057,0.9057895277911041,0.9366732917551915
EOS-2-33481,N#Cc1ccc(-c2nnc3cncc(OCc4ccncc4-c4ccc(F)cc4)n23)cc1,YJDWZCVOBFWADG-UHFFFAOYSA-N,2,1,0.623,1,326,422.423,4.443,5,0.416,0.82,1.0,0.9812298677266809,0.955177849359194,0.9349427729422246,0.927455280652457,0.9497014426701391
EOS-2-33482,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)c(F)c4)n23)nc1,FCPJLUMCQQBHGR-UHFFFAOYSA-N,2,1,0.593,1,347,422.423,4.443,5,0.416,0.8,1.0,0.8268624494551435,0.8749914330751833,0.897513878418203,0.8931104790624358,0.8731195600027415
EOS-2-33483,N#Cc1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)c1,IZEHBVMEFCRKTP-UHFFFAOYSA-N,2,1,0.649,1,326,422.423,4.443,5,0.416,0.78,1.0,0.9614060037009116,0.940245699403742,0.9333835926255911,0.9283633746830238,0.9408496676033171
EOS-2-33484,Fc1cc(-c2ccco2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,SUHQRUVSMUKSJM-UHFFFAOYSA-N,2,1,0.325,30,668,422.423,5.043,6,0.398,0.73,1.0,0.027071482420670277,0.19583990130902612,0.8090346789116579,0.8317884312247276,0.46593362346652045
EOS-2-33485,COc1ccc(-c2nnc3cncc(-c4cccc(-c5cncc(C#N)c5)c4)n23)cc1F,ANHIRLWWZGWTKM-UHFFFAOYSA-N,2,1,0.356,96,3,422.423,4.54,5,0.422,0.73,1.0,0.48338016585566446,0.5713196490987595,0.9367589610033582,0.9158813652251387,0.7268350352957302
EOS-2-33486,N#Cc1cccc(COc2cncc3nnc(-c4cccc(-c5cncc(F)c5)c4)n23)c1,HJUQJCGGKUSUPG-UHFFFAOYSA-N,2,1,0.518,1,230,422.423,4.443,5,0.416,0.78,1.0,0.8917226372421355,0.8197262010828593,0.9276694537728737,0.920130559934206,0.8898122130080186
EOS-2-33487,N#Cc1cccc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)c1,XSTLOWLRFITWMS-UHFFFAOYSA-N,2,1,0.571,1,347,422.423,4.443,5,0.416,0.79,1.0,0.8456839832773627,0.9173891439928723,0.9148790350215886,0.9114094304708382,0.8973403981906656
EOS-2-33488,N#Cc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nc2)c1,YWVLTNBUTKLBFS-UHFFFAOYSA-N,2,1,0.578,1,347,422.423,4.443,5,0.416,0.82,1.0,0.8806798711534508,0.9284661777808237,0.9138852717428552,0.907956959769721,0.9077470701117127
EOS-2-33489,N#Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccncc5)c4)n23)cc1,SEXPDXJYTYTGGL-UHFFFAOYSA-N,2,1,0.597,1,230,422.423,4.443,5,0.416,0.8,1.0,0.9155129874580221,0.9229919128229731,0.9437153039544925,0.9340175450620245,0.9290594373243781
EOS-2-33490,N#Cc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(F)cn4)c3)n12,CSROWCNLGMRWNY-UHFFFAOYSA-N,2,1,0.518,1,709,422.423,4.443,5,0.416,0.76,1.0,0.9126859022685216,0.8346155164142279,0.9007436090740868,0.8890668905489686,0.8842779795764513
EOS-2-33491,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)n1,YYQKEELUIHVUOV-UHFFFAOYSA-N,2,1,0.575,12,23,422.423,4.443,5,0.416,0.79,1.0,0.908034062093071,0.9266585566445069,0.8868052223973683,0.8778613528887671,0.8998397985059283
EOS-2-33492,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(C#N)cc6)cc5)n34)s2)s1,ZURIZASTKJBITK-UHFFFAOYSA-N,2,1,0.419,93,270,477.578,5.885,6,0.314,0.74,1.0,0.17713830443424028,0.35135528750599687,0.5589404427386745,0.6184548694400658,0.4264722260297444
EOS-2-33493,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)nc2)cc1F,ZRKQJWARSKWFOW-UHFFFAOYSA-N,2,1,0.471,59,153,422.42,4.167,5,0.423,0.78,1.0,0.7395740524981153,0.6683914741964224,0.792217805496539,0.7964498663559728,0.7491582996367623
EOS-2-33494,Fc1cccc(F)c1COc1cncc2nnc(-c3cncc(-c4cncs4)c3)n12,ILYXZOFIEHSIQJ-UHFFFAOYSA-N,2,1,0.506,2,884,422.42,4.167,5,0.423,0.68,1.0,0.7307415530121307,0.620279624426016,0.8331420053457611,0.8299122746898773,0.7535188643684463
EOS-2-33495,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)cc1F,SSNNHLSZHBSEJV-UHFFFAOYSA-N,2,1,0.757,43,96,422.42,4.167,5,0.423,0.81,1.0,0.8390189157699952,0.8043057364128572,0.8632033445274484,0.8558614899595641,0.8405973716674662
EOS-2-33496,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cc1,XZFKALICYPWXOU-UHFFFAOYSA-N,2,1,0.529,9,340,422.42,4.578,5,0.413,0.79,1.0,0.31593105338907546,0.4535329997943938,0.8962459735453362,0.8864368446302515,0.6380367178397643
EOS-2-33497,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4)n23)c(F)c1,UPLMDWTXGGSMOB-UHFFFAOYSA-N,2,1,0.597,43,909,422.42,4.167,5,0.423,0.83,1.0,0.6909224864642588,0.7666027002947022,0.834744020286478,0.8418974025083956,0.7835416523884586
EOS-2-33498,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccsc5)n4)n23)cc1F,NVYDEVULLUNUPA-UHFFFAOYSA-N,2,1,0.536,73,401,422.42,4.167,5,0.423,0.75,1.0,0.8030978000137071,0.8158796518401754,0.7679305736412857,0.7730621616064698,0.7899925467754095
EOS-2-33499,Fc1ccc(-c2nnc3cncc(OCc4cscc4-c4cncnc4)n23)c(F)c1,YWWYLQMQXHICQP-UHFFFAOYSA-N,2,1,0.536,2,817,422.42,4.167,5,0.423,0.68,1.0,0.8160081557124255,0.8380251524912617,0.8460352271948461,0.8399612774998286,0.8350074532245905
EOS-2-33500,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)c(F)c1,RFAIKHFSBAUMKT-UHFFFAOYSA-N,2,1,0.536,4,10,422.42,4.167,5,0.423,0.75,0.999,0.8339986978274279,0.9074772119799877,0.6517802069769035,0.6705674730998561,0.7659558974710439
EOS-2-33501,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnsc5)nc4)n23)cc1F,ZYIXKNVWXQZVDE-UHFFFAOYSA-N,2,1,0.685,59,294,422.42,4.167,5,0.423,0.74,1.0,0.8085549311219244,0.7747327119457199,0.8526488931533137,0.8379566170927284,0.8184732883284216
EOS-2-33502,Fc1cccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)c1F,OHPFUDFHBRXHGW-UHFFFAOYSA-N,2,1,0.573,4,850,422.42,4.167,5,0.423,0.74,1.0,0.6727777397025564,0.7534524707011171,0.7817233225961209,0.7659858817079022,0.7434848536769241
EOS-2-33503,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nncs5)n34)cc2)cc1F,AKMAEMDIUQLSBN-UHFFFAOYSA-N,2,1,0.571,43,80,422.42,4.167,5,0.423,0.69,1.0,0.7918494277294222,0.869405798094716,0.7679391405661024,0.8050510588719073,0.8085613563155369
EOS-2-33504,FC(F)Oc1ccc(-c2nnc3cncc(-c4ncc(-c5cccnc5)s4)n23)cc1,GJNLQDOKBRKBCK-UHFFFAOYSA-N,2,1,0.5,96,680,422.42,4.578,5,0.413,0.73,1.0,0.34998457953533,0.5623843465149749,0.8090432458364746,0.7986258652594065,0.6300095092865465
EOS-2-33505,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cc1F,MMFFNVDGKVRCCU-UHFFFAOYSA-N,2,1,0.62,59,850,422.42,4.167,5,0.423,0.7,1.0,0.7456822698923994,0.8237012541977932,0.8112363785895415,0.7918322938797889,0.7931130491398807
EOS-2-33506,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4)n23)cc1F,CYELOOQXAIJZMM-UHFFFAOYSA-N,2,1,0.662,43,909,422.42,4.167,5,0.423,0.8,1.0,0.8031063669385238,0.804314303337674,0.8617298334589816,0.8577547803440477,0.8317263210198067
EOS-2-33507,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)ccn2)s1,BGNZDJRRJUOWRW-UHFFFAOYSA-N,2,1,0.612,13,573,422.42,4.689,5,0.418,0.75,1.0,0.8031149338633404,0.697673223219793,0.7608885614419848,0.7400280995133987,0.7504262045096292
EOS-2-33508,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccccc5F)n34)s2)cn1,NDOLRQATRTZSGW-UHFFFAOYSA-N,2,1,0.506,4,10,422.42,4.167,5,0.423,0.71,1.0,0.8110307723939415,0.8663045713110822,0.6739771091768899,0.6880697005003084,0.7598455383455556
EOS-2-33509,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)s2)cc1,GHOBIIODWWWDBL-UHFFFAOYSA-N,2,1,0.6,34,372,422.42,4.167,5,0.423,0.77,1.0,0.7664399287231856,0.8829072716057844,0.5881365225138784,0.6910252895620588,0.7321272531012268
EOS-2-33510,Fc1ccc(-c2nnc3cncc(OCc4csc(-c5cccnc5)n4)n23)c(F)c1,KUTWRPLAAXDDIC-UHFFFAOYSA-N,2,1,0.573,34,436,422.42,4.167,5,0.423,0.75,1.0,0.6790744294428072,0.8158882187649921,0.6575543143033377,0.6794428072099239,0.7079899424302651
EOS-2-33511,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncs5)nc4)n23)cc1F,MOBXKUVPEGVYFI-UHFFFAOYSA-N,2,1,0.603,59,89,422.42,4.167,5,0.423,0.74,1.0,0.9080426290178878,0.8484510999931465,0.8222962785278597,0.7986344321842231,0.8443561099307793
EOS-2-33512,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)s1,GUXLMUGRTXIAOH-UHFFFAOYSA-N,2,1,0.549,4,817,422.42,4.167,5,0.423,0.68,1.0,0.854936262079364,0.8158967856898088,0.8380594201905284,0.8238897265437598,0.8331955486258652
EOS-2-33513,Fc1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(F)nc5)n4)n23)cc1,VSPNFNOMFVXMKD-UHFFFAOYSA-N,2,1,0.568,1,436,422.42,4.167,5,0.396,0.76,1.0,0.8003563840723734,0.8575063395243643,0.6710643547392228,0.6910338564868754,0.7549902337057091
EOS-2-33514,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)o2)cc1,MGRIGKHBQXDFPC-UHFFFAOYSA-N,2,1,0.329,69,30,422.419,6.117,6,0.342,0.78,1.0,0.29783770817627303,0.3364916729490782,0.920516071550956,0.9349170721677746,0.6224406312110204
EOS-2-33515,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)c1,IYTUZYFHTREMIE-UHFFFAOYSA-N,2,1,0.278,98,373,422.416,1.829,6,0.45,0.61,1.0,0.08016928243437736,0.09606092796929615,0.0765112055376602,0.10555308066616408,0.08957362415187445
EOS-2-33516,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)n1,YYPGKRGDABIAFP-UHFFFAOYSA-N,2,1,0.304,25,508,422.416,1.829,6,0.45,0.7,1.0,0.16088684805702144,0.10906551984099788,0.09771434445891303,0.11493386334041532,0.12065014392433693
EOS-2-33517,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncccn6)nn5)n34)cc2)n1,ZDHFJJGLHFLWBQ-UHFFFAOYSA-N,2,1,0.33,98,618,422.416,1.624,6,0.416,0.62,1.0,0.008995271057501199,0.016953944212185594,0.04365704886573915,0.045833047769172776,0.02885982797614968
EOS-2-33518,Cn1nnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6c[nH]cn6)cc5)n34)cn2)n1,GAFMWXOFIRGJOG-UHFFFAOYSA-N,2,1,0.289,98,882,422.416,1.829,6,0.45,0.65,1.0,0.10150949215269686,0.046312795558906175,0.045361866904256046,0.056610239188540884,0.06244859845109999
EOS-2-33519,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n1,PQTMSXHRAOCDDG-UHFFFAOYSA-N,2,1,0.286,98,7,422.416,1.829,6,0.45,0.62,1.0,0.0917603317113289,0.07631416626687684,0.06390069220752519,0.06931498869165924,0.07532254471934755
EOS-2-33520,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnno6)cc5)n34)cn2)cn1,HPWQZENWQFMYCH-UHFFFAOYSA-N,2,1,0.314,98,167,422.412,2.699,6,0.421,0.6,1.0,0.05206976903570694,0.07632273319169351,0.2758978137207868,0.24999143307518334,0.16357043725584264
EOS-2-33521,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5c[nH]c(=N)cn5)nc4)n23)nc1,WSJSHHFLIDMSAC-UHFFFAOYSA-N,2,1,0.448,55,283,422.412,1.902,5,0.435,0.73,1.0,0.5183332191076692,0.46241690082927833,0.37583955863203344,0.2888938386676719,0.4113708793091632
EOS-2-33522,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2)o1,YGQKDHJXWQTIPQ-UHFFFAOYSA-N,2,1,0.278,9,424,422.412,2.997,6,0.454,0.58,1.0,0.15014392433692003,0.16591563292440545,0.15793125899527105,0.14167123569323556,0.15391551298745804
EOS-2-33523,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cn5)n34)nc2)no1,RWZMNXONXJOHGC-UHFFFAOYSA-N,2,1,0.267,70,652,422.412,2.997,6,0.454,0.64,1.0,0.15546398464807074,0.16989925296415598,0.1222842848331163,0.11942293194434926,0.14176761359742307
EOS-2-33524,Cn1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)cn1,CFTXOMJTSUIECB-UHFFFAOYSA-N,2,1,0.289,98,167,422.412,2.699,6,0.421,0.69,1.0,0.11962853813994928,0.06122781166472483,0.15184017545062026,0.15156603385648687,0.12106563977794531
EOS-2-33525,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cc5)n34)cc2)o1,QHNSBFUOKNDRLG-UHFFFAOYSA-N,2,1,0.297,9,537,422.412,2.706,6,0.395,0.59,1.0,0.08668014529504489,0.09905935165512987,0.3453327393598794,0.3137122198615585,0.21119611404290317
EOS-2-33526,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)ncn2)cn1,DXOJKAINMFAHQR-UHFFFAOYSA-N,2,1,0.494,7,113,422.412,2.192,5,0.414,0.67,0.409,0.5627698581317251,0.3414947570420122,0.2939997258584059,0.20639435268316086,0.351164673428826
EOS-2-33527,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)nc2)cn1,BQSQOZAPAGRYNY-UHFFFAOYSA-N,2,1,0.419,87,779,422.412,1.926,5,0.398,0.71,1.0,0.5882478925364951,0.5485658967856898,0.1547015283393873,0.13688232472071826,0.35709941059557265
EOS-2-33528,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cn1,CFHUEZMITAQTLA-UHFFFAOYSA-N,2,1,0.289,98,727,422.412,2.699,6,0.421,0.7,1.0,0.1501524912617367,0.0612363785895415,0.14867041326845315,0.15942190391337124,0.12987029675827566
EOS-2-33529,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(C#N)nc5)n34)cn2)cn1,NYEWDRZLVSSZER-UHFFFAOYSA-N,2,1,0.443,51,282,422.412,2.192,5,0.414,0.69,1.0,0.6760331711328902,0.5767168117332603,0.23580460557878144,0.15157460078130355,0.4100322973065588
EOS-2-33530,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)o2)nn1,QGOWJFNMESCIEB-UHFFFAOYSA-N,2,1,0.307,38,608,422.412,2.699,6,0.421,0.56,1.0,0.10645260777191419,0.08325337536837776,0.10808032348708108,0.10774621341923103,0.10138313001165102
EOS-2-33531,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)o1,BEQYLGWTCFLWBW-UHFFFAOYSA-N,2,1,0.284,9,7,422.412,2.997,6,0.454,0.68,1.0,0.16902542663285586,0.1582139675142211,0.13980364608320198,0.1392896305942019,0.15158316770612018
EOS-2-33532,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)n1,WTTLEVBBCJJEFS-UHFFFAOYSA-N,2,1,0.32,9,508,422.412,2.699,6,0.421,0.68,1.0,0.1802223973682407,0.08972140360496196,0.16750908094030567,0.1782777054348571,0.15393264683709135
EOS-2-33533,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccnc(-c5cocn5)c4)n23)c1,LCCPZLCDZBORKE-UHFFFAOYSA-N,2,1,0.323,25,213,422.412,2.699,6,0.421,0.65,1.0,0.13633404153245152,0.04977383318483997,0.13658248235213488,0.16726920704543896,0.12248989102871634
EOS-2-33534,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnoc6)nc5)n34)nc2)cn1,PUZZHUGYEYECCN-UHFFFAOYSA-N,2,1,0.281,86,967,422.412,2.699,6,0.421,0.62,1.0,0.0552480981426907,0.03582687958330478,0.22489034336234665,0.19737338085120965,0.12833467548488794
EOS-2-33535,Cn1cncc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)c1,YWIYYOMQMQTYJF-UHFFFAOYSA-N,2,1,0.317,86,812,422.412,2.699,6,0.421,0.7,1.0,0.17714687135905696,0.08326194229319443,0.2215492426838462,0.20640291960797752,0.17209024398601877
EOS-2-33536,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)cn1,AWUUUJJQAMIMTD-UHFFFAOYSA-N,2,1,0.269,70,813,422.412,2.699,6,0.421,0.62,1.0,0.11716126379274895,0.03583544650812145,0.13340415324515112,0.12613940100061682,0.10313506613665958
EOS-2-33537,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)nc2)o1,SLIOWBRMHSRKMO-UHFFFAOYSA-N,2,1,0.287,70,664,422.412,2.792,6,0.421,0.72,0.489,0.006562264409567541,0.020312178740319375,0.09510999931464602,0.09324240970461244,0.05380671304228635
EOS-2-33538,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cn1,MHLXFRYQLLJJIA-UHFFFAOYSA-N,2,1,0.301,70,812,422.412,2.699,6,0.421,0.63,0.998,0.1831437187307244,0.07974093619354397,0.13341272016996777,0.12410047289424989,0.1300994619971215
EOS-2-33539,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cn2)o1,HIYWULVLUMGJDO-UHFFFAOYSA-N,2,1,0.295,38,725,422.412,2.997,6,0.454,0.7,1.0,0.21353916798026182,0.17445685696662325,0.2358131725035981,0.21245116852854498,0.20906509149475702
EOS-2-33540,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4conc4-c4ccccc4)n23)cn1,SPKIVVRULYCJTQ-UHFFFAOYSA-N,2,1,0.324,70,167,422.412,2.699,6,0.421,0.6,1.0,0.1040024672743472,0.042500514015489,0.06593962031389212,0.10358268795833048,0.0790063223905147
EOS-2-33541,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)on2)nn1,GTNVPIKHXFZTTO-UHFFFAOYSA-N,2,1,0.286,42,725,422.412,2.699,6,0.421,0.62,1.0,0.04008464121718868,0.06124494551435817,0.21439586046192857,0.23258344184771435,0.13707722226029745
EOS-2-33542,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)cc1,VXCSODVBWGHUMN-UHFFFAOYSA-N,2,1,0.297,98,642,422.412,2.699,6,0.421,0.6,1.0,0.13634260845726817,0.05744123089575766,0.16439072030703858,0.16727777397025564,0.13136308340758002
EOS-2-33543,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccncc6)c5)n34)cn2)n1,UNKMRKFYTPOICA-UHFFFAOYSA-N,2,1,0.284,86,151,422.412,2.792,6,0.421,0.64,1.0,0.0430059625796724,0.06539990405044205,0.13342128709478446,0.1282468645055171,0.09251850455760399
EOS-2-33544,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)c2)nn1,UNSKCVHMQDPTKQ-UHFFFAOYSA-N,2,1,0.286,98,63,422.412,2.699,6,0.421,0.69,1.0,0.055256665067507364,0.026968679322870264,0.23582173942841478,0.24136453978479885,0.13985290590089783
EOS-2-33545,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)ccn2)nn1,GURANGDNECNADL-UHFFFAOYSA-N,2,1,0.289,98,727,422.412,2.699,6,0.421,0.65,1.0,0.07586011925159344,0.049782400109656635,0.1970649715578096,0.19207902131450894,0.12869662805839216
EOS-2-33546,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cn2)nn1,KCSIRYQETORTFF-UHFFFAOYSA-N,2,1,0.286,98,727,422.412,2.699,6,0.421,0.66,0.999,0.10401103419916387,0.049790967034473305,0.18362346652045783,0.1864419847851415,0.13096686313480913
EOS-2-33547,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)n[nH]2)nn1,MZOHTAJNMOLDDR-UHFFFAOYSA-N,2,1,0.297,70,813,422.412,2.997,6,0.454,0.66,0.999,0.07192790076074293,0.09277979576451237,0.11067610170653143,0.12614796792543348,0.10038294153930505
EOS-2-33548,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)no2)nn1,LETRWIIJITVCNJ-UHFFFAOYSA-N,2,1,0.291,98,63,422.412,2.699,6,0.421,0.66,1.0,0.08232814748817764,0.053620382427523816,0.16751764786512233,0.1864505517099582,0.12247918237269548
EOS-2-33549,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cc2)o1,AINKTBFQTQVQHR-UHFFFAOYSA-N,2,1,0.293,38,303,422.408,3.867,6,0.417,0.65,1.0,0.21105475978342814,0.15040093208142005,0.3494105955726133,0.29792337742443975,0.2521974162154753
EOS-2-33550,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)no1,HWOALZWILQZTMD-UHFFFAOYSA-N,2,1,0.337,38,983,422.408,3.867,6,0.417,0.76,1.0,0.21916763758481256,0.1465286820642862,0.22489891028716333,0.20641148653279418,0.19925167911726407
EOS-2-33551,O=c1[nH]cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)o1,WIQYBUKHULSKMH-UHFFFAOYSA-N,2,1,0.282,9,834,422.408,3.192,6,0.446,0.64,1.0,0.31345521211705846,0.23522205469124802,0.48046741141799737,0.4565142896305942,0.3714147419642245
EOS-2-33552,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)o5)n34)cc2)o1,XBZYTMMRQDRXJE-UHFFFAOYSA-N,2,1,0.298,38,303,422.408,3.867,6,0.417,0.73,1.0,0.18023096429305738,0.15450448906860392,0.2430265231992324,0.232592008772531,0.20258849633335618
EOS-2-33553,Cc1noc(-c2ccc(-c3cncc4nnc(-c5cccc(-c6cocn6)c5)n34)cn2)n1,WSVPVFCYBCQYMI-UHFFFAOYSA-N,2,1,0.316,32,321,422.408,3.867,6,0.417,0.61,1.0,0.22177198272907958,0.13190494140223424,0.2538893838667672,0.25,0.21439157699952024
EOS-2-33554,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cn2)o1,BUNCWYBXJVZKLD-UHFFFAOYSA-N,2,1,0.321,9,339,422.408,3.867,6,0.417,0.72,1.0,0.19420361866904257,0.12523130697005003,0.3379737509423617,0.29472791446782265,0.23803414776231924
EOS-2-33555,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)o5)n34)cc2)n1,JOFMNAJDODPDNZ-UHFFFAOYSA-N,2,1,0.307,38,865,422.408,3.867,6,0.417,0.64,1.0,0.21106332670824482,0.13191350832705093,0.3085206634226578,0.2830340620930711,0.23363289013775618
EOS-2-33556,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)o1,PUTRSQSLIVVHOK-UHFFFAOYSA-N,2,1,0.322,38,270,422.408,3.867,6,0.417,0.75,1.0,0.1414484956480022,0.11211534507573162,0.18034233431567404,0.1753563840723734,0.15231563977794532
EOS-2-33557,N#Cc1ccc(-c2nnc3cncc(Oc4nccc(-c5cncc(CO)c5)n4)n23)cc1,MWCZWWLUNSXTSX-UHFFFAOYSA-N,2,1,0.413,89,731,422.408,2.8,5,0.453,0.72,1.0,0.8110393393187582,0.6781149338633404,0.6130320060311151,0.5133901034884518,0.6538940956754163
EOS-2-33558,c1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cnoc6)cc5)n34)cc2)n[nH]1,BEKOZCSQNICCIF-UHFFFAOYSA-N,2,1,0.506,41,722,422.408,4.024,6,0.442,0.64,1.0,0.5739325611678432,0.39430984853676926,0.5589490096634911,0.5096035227194846,0.509198735521897
EOS-2-33559,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(O)c4)n23)cn1,HQJTUWPMIYHHDH-UHFFFAOYSA-N,2,1,0.571,16,214,422.408,2.8,5,0.453,0.65,0.96,0.6482249331779865,0.5208090603796861,0.6682201357000891,0.5629240627784251,0.6000445480090466
EOS-2-33560,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)nc2)no1,XZYAQCBIYAEICL-UHFFFAOYSA-N,2,1,0.322,42,818,422.408,3.867,6,0.417,0.71,1.0,0.24133027208553218,0.17446542389143993,0.2682304160098691,0.2623192378863683,0.23658633746830238
EOS-2-33561,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cc2)no1,CNKNUUTWAUXOPH-UHFFFAOYSA-N,2,1,0.357,93,641,422.408,3.867,6,0.417,0.84,1.0,0.18880645603454185,0.13925536289493523,0.13981221300801863,0.15943047083818793,0.1568261256939209
EOS-2-33562,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)n1,OXYKFLOOYDMZRZ-UHFFFAOYSA-N,2,1,0.319,38,818,422.408,3.867,6,0.417,0.76,1.0,0.2358131725035981,0.1428791720923857,0.29400829278322255,0.2710489342745528,0.2359373929134398
EOS-2-33563,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)no1,FFYNMUPRZPJCNF-UHFFFAOYSA-N,2,1,0.307,42,762,422.408,3.867,6,0.417,0.77,1.0,0.21624631622232884,0.15822253443903778,0.27590638064560347,0.26524055924885204,0.22890394763895552
EOS-2-33564,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscc6C)cc5)n34)nc2)c(C)n1,YOJQXAUJBYFFCE-UHFFFAOYSA-N,2,1,0.294,38,303,477.597,6.082,6,0.301,0.63,1.0,0.08233671441299431,0.09906791857994654,0.4838599136453978,0.41231752450140496,0.2693955177849359
EOS-2-33565,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)n(C)n1,BZWYRBCOBXGLST-UHFFFAOYSA-N,2,1,0.535,36,391,422.399,2.783,5,0.433,0.63,1.0,0.5183417860324858,0.6293605647316839,0.4269155643890069,0.4123260914262216,0.4967360016448496
EOS-2-33566,Cn1cc(-c2nn(C)cc2COc2cncc3nnc(-c4cccc(F)c4F)n23)cn1,BJKHFCOXFUVKJE-UHFFFAOYSA-N,2,1,0.5,92,399,422.399,2.783,5,0.433,0.71,1.0,0.4522222602974436,0.5388938386676718,0.5456702761976561,0.4995116852854499,0.5090745151120554
EOS-2-33567,CSc1ccccc1-c1ccc(-c2nnc3cncc(-c4csc(-c5ccccc5)n4)n23)cc1,AZEAJGBQKFHVIB-UHFFFAOYSA-N,2,1,0.4,21,993,477.618,6.971,6,0.251,0.71,1.0,0.08443561099307792,0.13192207525186758,0.7369268727297649,0.755362894935234,0.4271618634774861
EOS-2-33568,Cn1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1-c1noc(CO)n1,ASSVXKZSZVZFAH-UHFFFAOYSA-N,2,1,0.467,95,694,422.38,1.785,5,0.435,0.73,1.0,0.39105441710643546,0.2815091494757042,0.0977229113837297,0.12615653485025016,0.22411075320402987
EOS-2-33569,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)n1,LFYOJRPDGQZPFQ-UHFFFAOYSA-N,2,1,0.486,50,243,422.374,3.668,5,0.441,0.74,1.0,0.18023953121787403,0.3562641354259475,0.8985076416969364,0.7780395449249538,0.553262713316428
EOS-2-33570,Cn1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cc2F)n1,ZWYCIBMOELKUDO-UHFFFAOYSA-N,2,1,0.35,22,844,422.374,3.726,5,0.439,0.71,0.998,0.24368617641011583,0.4134569255020218,0.8556730176135974,0.8358234528133781,0.5871598930847783
EOS-2-33571,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)n1,NBDYSHIGWGZSOJ-UHFFFAOYSA-N,2,1,0.376,61,917,422.374,3.668,5,0.441,0.8,1.0,0.3453241724350627,0.3943184154615859,0.9234716606127065,0.8750599684737167,0.6345435542457679
EOS-2-33572,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)c1,GFNZLZZOUCQJNL-UHFFFAOYSA-N,2,1,0.5,96,121,422.37,4.385,5,0.42,0.75,1.0,0.0988109108354465,0.5436570488657392,0.9577479268041944,0.9545267630731272,0.6386856623946269
EOS-2-33573,Cn1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1-c1cccc(F)c1,OTKJTNJQZKBRNE-UHFFFAOYSA-N,2,1,0.433,13,145,422.37,4.401,5,0.429,0.79,1.0,0.41505894044273867,0.4886231238434651,0.8856743883215681,0.9046158590912207,0.6734930779247481
EOS-2-33574,Cn1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)cc1-c1cccc(F)c1,OLQFYGAYIPPQQW-UHFFFAOYSA-N,2,1,0.536,34,573,422.37,4.401,5,0.429,0.81,1.0,0.4356281269275581,0.5072733191693509,0.8975224453430196,0.9134569255020218,0.6884702042354875
EOS-2-33575,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)c1,QGGNDKWCVHQDHN-UHFFFAOYSA-N,2,1,0.68,13,15,422.37,4.981,5,0.4,0.76,1.0,0.5008652594064834,0.7534610376259337,0.9541926530052772,0.9383181413199918,0.7867092728394216
EOS-2-33576,Cn1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)cc1-c1ccc(F)cc1,KWEJVSRWJGNVOH-UHFFFAOYSA-N,2,1,0.556,34,573,422.37,4.401,5,0.429,0.81,1.0,0.4908505242957988,0.5436656157905558,0.9041618120759373,0.9168665615790556,0.7138861284353368
EOS-2-33577,Cn1nc(-c2nnc3cncc(Oc4cc(F)ccc4F)n23)cc1-c1ccc(F)cc1,KEQGTATYPCCCPW-UHFFFAOYSA-N,2,1,0.448,34,266,422.37,4.401,5,0.429,0.74,0.999,0.44979782057432666,0.552840792269207,0.8926307312727023,0.9091306284696046,0.7010999931464601
EOS-2-33578,Fc1ccc(-c2nnc3cncc(OCc4ccnn4-c4ccccc4F)n23)cc1F,MKSFWFIXEYBUBF-UHFFFAOYSA-N,2,1,0.56,34,612,422.37,3.973,5,0.429,0.75,1.0,0.5822082105407443,0.7447741758618326,0.892639298197519,0.902259954766637,0.7804704098416833
EOS-2-33579,Fc1ccc(-c2nnc3cncc(OCc4ccnn4-c4ccc(F)c(F)c4)n23)cc1,HTHZJXGFXAFQHK-UHFFFAOYSA-N,2,1,0.615,34,612,422.37,3.973,5,0.429,0.73,1.0,0.6698906860393393,0.79997943938044,0.9120433829072716,0.9179631279555891,0.8249691590706599
EOS-2-33580,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c(F)c1F,KZHDRPKVDWATIK-UHFFFAOYSA-N,2,1,0.548,43,178,422.37,4.178,5,0.43,0.64,1.0,0.9656294976355287,0.9230004797477898,0.9572253443903777,0.9449232403536426,0.9476946405318347
EOS-2-33581,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)cc1F,ZVRGBCIYWFXHNR-UHFFFAOYSA-N,2,1,0.628,13,573,422.37,4.401,5,0.429,0.76,1.0,0.8806884380782675,0.8043228702624906,0.9509029538756768,0.9432869577136591,0.8948003049825235
EOS-2-33582,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2F)cn1,CVXVPDHRHDOCAP-UHFFFAOYSA-N,2,1,0.538,13,145,422.37,4.401,5,0.429,0.78,1.0,0.5969347543005963,0.7028904804331437,0.9497292851757932,0.9409481872387088,0.7976256767870604
EOS-2-33583,Fc1ccc(-n2nccc2COc2cncc3nnc(-c4ccccc4F)n23)cc1F,ZIPSZOPNWGRUAY-UHFFFAOYSA-N,2,1,0.536,34,612,422.37,3.973,5,0.429,0.67,1.0,0.5183503529573025,0.6540590089781372,0.8962545404701528,0.9057980947159208,0.7436154992803783
EOS-2-33584,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)nc2F)n1,XTGDWFMBQFKZNO-UHFFFAOYSA-N,2,1,0.409,46,62,422.359,1.629,5,0.389,0.59,1.0,0.5058854773490508,0.40857377835652114,0.167526214789939,0.19738194777602633,0.31984185456788433
EOS-2-33585,Fc1cc(-c2cc(-c3nnc4cncc(OCCn5ccnn5)n34)cnn2)cnc1F,GIYWIKLVTFPDFK-UHFFFAOYSA-N,2,1,0.371,92,778,422.359,1.592,5,0.375,0.48,0.664,0.3705280652456994,0.2557998081008841,0.2396425878966486,0.2739017202385032,0.28496804537043385
EOS-2-33586,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)cn4)n23)c(F)c1,PKYBOBILSMOJDF-UHFFFAOYSA-N,2,1,0.472,36,728,422.359,1.629,5,0.416,0.65,1.0,0.4611489959564115,0.5208176273045028,0.2113032006031115,0.2413731067096155,0.3586607326434103
EOS-2-33587,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5cc(F)cc(F)c5)n34)nn2)n1,FJMKEVGKAAVRLZ-UHFFFAOYSA-N,2,1,0.633,36,404,422.359,1.629,5,0.416,0.67,1.0,0.39760811459118633,0.41346549242683844,0.1455691864848194,0.20921287094784455,0.2914639161126722
EOS-2-33588,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cn2)n1,XWZPQNQSKBVVNS-UHFFFAOYSA-N,2,1,0.451,36,185,422.359,1.629,5,0.416,0.67,1.0,0.46613494619971213,0.43611644164210817,0.15793982592008773,0.18379480501679119,0.3109965046946748
EOS-2-33589,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)cc4F)nn3)n12,DMQOTQGTUBGLHL-UHFFFAOYSA-N,2,1,0.416,53,404,422.359,1.629,5,0.416,0.7,1.0,0.4567284627510109,0.4315245699403742,0.11651874443149887,0.21536392296621204,0.305033925022274
EOS-2-33590,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4cc(F)cnc4F)nc3)n12,ZEOUEBSLAAFORA-UHFFFAOYSA-N,2,1,0.402,92,728,422.359,1.629,5,0.389,0.74,1.0,0.4636419710780618,0.47095812487149613,0.13659104927695154,0.18645911863477485,0.3144125659653211
EOS-2-33591,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cn5)n34)cc2F)n1,ZHYGREOMHCBVLX-UHFFFAOYSA-N,2,1,0.482,51,196,422.359,1.629,5,0.416,0.69,1.0,0.6111729833458982,0.5389024055924885,0.1579483928449044,0.18380337194160784,0.3729567884312247
EOS-2-33592,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cncnn5)n34)cn2)cn1,FEARIDYOMQDZQM-UHFFFAOYSA-N,2,1,0.421,92,468,422.359,2.209,5,0.405,0.65,1.0,0.3358748543622781,0.38469775889246793,0.4193424028510726,0.3358405866630114,0.3689389006922075
EOS-2-33593,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)n1,JVZXEXFYJIXZRG-UHFFFAOYSA-N,2,1,0.5,50,542,422.359,2.04,5,0.419,0.77,1.0,0.3055222397368241,0.3610016448495648,0.30502535809745734,0.3291498183811939,0.32517476526626005
EOS-2-33594,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nn1,JPUHCELLNPHZDZ-UHFFFAOYSA-N,2,1,0.493,50,542,422.359,2.04,5,0.419,0.75,1.0,0.2706548557329861,0.3315656911794942,0.32328147488177644,0.36165273113563157,0.3217886882324721
EOS-2-33595,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5cnoc5)ncn4)n23)c1F,FIJKQDOTBVUZQM-UHFFFAOYSA-N,2,1,0.441,18,194,422.355,2.531,5,0.407,0.53,0.746,0.5521468713590569,0.3513638544308135,0.5153090946473854,0.4932149955451991,0.4780087039956138
EOS-2-33596,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccon5)n4)n23)cn1,UJGZARGKWFNWBT-UHFFFAOYSA-N,2,1,0.473,7,69,422.355,3.148,5,0.407,0.64,1.0,0.5315091494757042,0.47531868960318,0.5288534027825372,0.43460009594955795,0.49257033445274484
EOS-2-33597,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nn5)n34)c(F)c2)no1,PQHYASVZSAIDBH-UHFFFAOYSA-N,2,1,0.494,4,208,422.355,2.797,5,0.421,0.68,1.0,0.6422880542800357,0.6684000411212391,0.34158899321499553,0.3227588924679597,0.4937589952710575
EOS-2-33598,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)nc1,QWAVLAPUWPHKLA-UHFFFAOYSA-N,2,1,0.453,54,237,422.355,2.531,5,0.38,0.56,0.989,0.6760417380577068,0.5160115824823521,0.3085292303474745,0.32276745939277635,0.45583750257007744
EOS-2-33599,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)c1,AJEWAXGXTYCNCC-UHFFFAOYSA-N,2,1,0.448,54,928,422.355,2.531,5,0.38,0.58,0.865,0.6760503049825235,0.5114025769309849,0.3123243780412583,0.33584915358782813,0.4589066033856487
EOS-2-33600,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)n5)n34)cn2)no1,CDIIAEOYAZALCC-UHFFFAOYSA-N,2,1,0.472,7,390,422.355,2.797,5,0.394,0.71,1.0,0.5598399698444246,0.6011239805359468,0.3232900418065931,0.2917294907819889,0.4439958707422384
EOS-2-33601,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)c(F)n4)n23)c1,IERSCWUONBXHFK-UHFFFAOYSA-N,2,1,0.443,18,814,422.355,2.531,5,0.38,0.57,0.948,0.5685268316085258,0.4709666917963128,0.3160338564868755,0.3358577205126448,0.4228462751010897
EOS-2-33602,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnco5)ccn4)n23)cn1,YAMLAGMJBUFYGA-UHFFFAOYSA-N,2,1,0.511,27,69,422.355,3.148,5,0.407,0.67,0.995,0.5794068261256939,0.5578010417380577,0.6011154136111302,0.47518161880611337,0.5533762250702489
EOS-2-33603,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)cn1,CTSAUQMVALYIRN-UHFFFAOYSA-N,2,1,0.542,27,69,422.355,3.148,5,0.407,0.7,0.999,0.6880697005003084,0.5389109725173052,0.5786529367418272,0.45976972106092795,0.5663508327050921
EOS-2-33604,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)n1,GFLMDHZVXKEUTR-UHFFFAOYSA-N,2,1,0.423,58,237,422.355,2.531,5,0.38,0.56,0.998,0.6571859365362209,0.5208261942293194,0.28327393598793776,0.2947364813926393,0.4390056370365294
EOS-2-33605,FC(F)c1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,JVRBYHWHZYEUEP-UHFFFAOYSA-N,2,1,0.483,27,343,422.355,3.148,5,0.407,0.74,1.0,0.672786306627373,0.5820368720444109,0.5657682818175588,0.4534901651703105,0.5685204064149134
EOS-2-33606,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnccn5)no4)n23)cn1,VZYZYIGOFKFZAF-UHFFFAOYSA-N,2,1,0.5,55,540,422.355,3.148,5,0.407,0.63,1.0,0.6666695223082723,0.6058015214858474,0.5524638475772736,0.44724487697895965,0.5680449420875883
EOS-2-33607,Fc1cc(-c2nnc3cncc(OCCc4cccnn4)n23)cc(F)c1-c1nnco1,PPJLQVNQKCVISR-UHFFFAOYSA-N,2,1,0.512,37,482,422.355,2.531,5,0.407,0.66,1.0,0.7365327941881982,0.7076108560071277,0.3795918717017339,0.40258549790967035,0.5565802549516825
EOS-2-33608,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)c(F)n4)n23)ccn1,BIMAUABARJSTCL-UHFFFAOYSA-N,2,1,0.446,18,578,422.355,2.531,5,0.38,0.51,1.0,0.6279641559865671,0.49333493249263244,0.39060893701596877,0.3778527859639504,0.47244020286477967
EOS-2-33609,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)o4)n23)cn1,CYVYARAPLCMHQF-UHFFFAOYSA-N,2,1,0.494,27,69,422.355,3.148,5,0.407,0.62,1.0,0.6111815502707149,0.5820454389692276,0.5009851963539168,0.4056010554451374,0.5249533102597491
EOS-2-33610,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cn5)n34)c(F)c2)o1,OHOAIWKCWVLDNO-UHFFFAOYSA-N,2,1,0.465,51,196,422.355,2.797,5,0.421,0.75,1.0,0.7152011513946953,0.6585395106572545,0.312332944966075,0.2979319443492564,0.49600138784182035
EOS-2-33611,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)c1,PVCYFFKIMLFCSN-UHFFFAOYSA-N,2,1,0.436,18,773,422.355,2.531,5,0.38,0.59,0.999,0.7395826194229319,0.5160201494071688,0.36431704475361526,0.37786135288876704,0.49944529161812073
EOS-2-33612,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cn2)no1,UPBASTAGVGVKKE-UHFFFAOYSA-N,2,1,0.478,55,283,422.355,2.797,5,0.394,0.73,1.0,0.6542389143992873,0.5965663765334795,0.3870622301418683,0.3419830717565623,0.49496264820779934
EOS-2-33613,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)nc2F)no1,QUCSDFUNAHGMNT-UHFFFAOYSA-N,2,1,0.462,46,338,422.355,2.797,5,0.394,0.64,0.999,0.47084675484887945,0.48863169076828183,0.2644181344664519,0.27391028716331983,0.3744517168117332
EOS-2-33614,OCc1ccc(-c2nnc3cncc(Oc4c(F)cc(-c5nnco5)cc4F)n23)cc1,PPPUCDTYSFXKJJ-UHFFFAOYSA-N,2,1,0.471,13,374,422.351,3.404,5,0.459,0.77,1.0,0.9080511959427044,0.8043314371873073,0.8494362963470633,0.787111918305805,0.83723271194572
EOS-2-33615,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4)n23)cc1,NRDROTLIGAVLLW-UHFFFAOYSA-N,2,1,0.75,1,528,422.351,4.235,5,0.401,0.79,1.0,0.9096275101089712,0.7955674730998561,0.8793605647316839,0.8238982934685766,0.852113460352272
EOS-2-33616,COc1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1ncco1,VVSGVEVXFJRXMI-UHFFFAOYSA-N,2,1,0.529,13,573,422.351,3.92,5,0.42,0.65,0.999,0.8241553012130766,0.5767253786580769,0.643101912137619,0.5629326297032418,0.6517288054280035
EOS-2-33617,COc1nc(-c2nnc3cncc(Oc4cc(F)ccc4F)n23)ccc1-c1ncco1,BLBFQZANUCUCGN-UHFFFAOYSA-N,2,1,0.424,13,703,422.351,3.92,5,0.42,0.65,0.999,0.7184394489753958,0.5820540058940443,0.6192344595983825,0.5435628126927559,0.6158226817901447
EOS-2-33618,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1nnco1,HMJXFKYBMDWPEK-UHFFFAOYSA-N,2,1,0.625,13,209,422.351,3.92,5,0.42,0.79,1.0,0.922220889589473,0.7307244191624974,0.8257316153793435,0.7451939551778494,0.8059677198272908
EOS-2-33619,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cncnc5F)ncn4)n23)c(F)c1,BTDOKJWTAXURAK-UHFFFAOYSA-N,2,1,0.376,13,971,422.33,3.248,5,0.407,0.67,0.971,0.6909310533890755,0.6928329106983757,0.7746898773216366,0.7780481118497704,0.7341254883147146
EOS-2-33620,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cn1,QDBYNIXYGYAYCM-UHFFFAOYSA-N,2,1,0.613,68,127,422.317,4.117,4,0.451,0.74,1.0,0.8787437461448838,0.8778099513398671,0.990353642656432,0.9583219107669111,0.9263073127270235
EOS-2-33621,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1F,ZVMIEWTVKQYGOS-UHFFFAOYSA-N,2,1,0.753,23,17,422.313,4.389,4,0.341,0.8,1.0,0.9970529778630662,0.9939346172297991,0.9946542389143993,0.9944571996436159,0.9950247584127201
EOS-2-33622,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,ZMCCDWQRHATKCF-UHFFFAOYSA-N,2,1,0.658,48,444,422.313,4.547,4,0.442,0.75,1.0,0.9960163799602495,0.9919299568226989,0.998038174216983,0.9969159070659996,0.9957251045164828
EOS-2-33623,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,CMKIJOWMEZFYEV-UHFFFAOYSA-N,2,1,0.704,48,444,422.313,4.547,4,0.442,0.8,1.0,0.9926153108080323,0.9888115961894318,0.9978411349461997,0.9964532931258995,0.9939303337673908
EOS-2-33625,Fc1ccc(-c2nnc3cncc(OCc4ccccc4OC(F)(F)F)n23)cc1F,WDVYMNNYJQZDTF-UHFFFAOYSA-N,2,1,0.603,48,444,422.313,4.547,4,0.442,0.72,1.0,0.9953138921252828,0.9891285724076485,0.997344253306833,0.9956223014186828,0.9943522548146118
EOS-2-33626,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c(F)c1,BETSCQVVJOUDLD-UHFFFAOYSA-N,2,1,0.703,48,444,422.313,4.547,4,0.442,0.81,1.0,0.9969159070659996,0.9922726338153657,0.9981067096155164,0.9969244739908163,0.9960549311219246
EOS-2-33628,Fc1cccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1F,YZZVOENBMJBNPH-UHFFFAOYSA-N,2,1,0.654,48,444,422.313,4.547,4,0.442,0.76,1.0,0.9981409773147831,0.9931293262970324,0.998115276540333,0.9966674662463162,0.9965132615996162
EOS-2-33629,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cc2)nn1,CJUXCVVIMORYHC-UHFFFAOYSA-N,2,1,0.405,96,558,422.279,4.561,5,0.426,0.79,1.0,0.15281680487972038,0.4181087656774724,0.7862295250496881,0.8750685353985334,0.5580559077513535
EOS-2-33630,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nc1,DSFFKWNSTLEPLT-UHFFFAOYSA-N,2,1,0.391,22,575,422.279,4.561,5,0.426,0.72,1.0,0.2384774861215818,0.43153313686519085,0.7134963333561785,0.8161023918854088,0.54990233705709
EOS-2-33631,Cc1ccc(Cl)cc1-n1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,DKELBOSQVHMEDQ-UHFFFAOYSA-N,2,1,0.4,22,730,422.279,4.654,5,0.423,0.83,1.0,0.15817113289013776,0.48399698444246453,0.6767099581934068,0.8239068603933932,0.5356962339798506
EOS-2-33632,Cn1ncc(-c2cncc3nnc(-c4cccc(Cl)c4Cl)n23)c1-c1ccncc1,SSWYLGVTYUGFRN-UHFFFAOYSA-N,2,1,0.347,22,844,422.279,4.561,5,0.426,0.71,1.0,0.10151805907751353,0.2303560413953807,0.7631245288191351,0.8577633472688644,0.4881904941402234
EOS-2-33633,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,XXCIIWJOHAKCSL-UHFFFAOYSA-N,2,1,0.471,22,311,422.279,4.561,5,0.426,0.86,1.0,0.16089541498183813,0.5160287163319854,0.52540093208142,0.782520046604071,0.49621127749982863
EOS-2-33634,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3Cl)n12,HHQMZVCUJYLIEG-UHFFFAOYSA-N,2,1,0.342,96,46,422.279,4.859,5,0.449,0.71,1.0,0.2867949420875882,0.4578764306764444,0.8257401823041601,0.890394763895552,0.6152015797409363
EOS-2-33635,Cn1c(-c2ccc(Cl)c(Cl)c2)nnc1-c1cncc2nnc(-c3ccccc3)n12,UWXLDENIOVYCSS-UHFFFAOYSA-N,2,1,0.427,22,311,422.279,4.561,5,0.426,0.83,1.0,0.22752038928106366,0.4535415667192105,0.5189243369200192,0.7529041875128504,0.48822262010828593
EOS-2-33636,Cc1cc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)ccc1Cl,IKOFACOYNIVOMY-UHFFFAOYSA-N,2,1,0.364,22,730,422.279,4.654,5,0.423,0.75,1.0,0.05881193886642451,0.3315742581043109,0.74935748063875,0.8610958810225482,0.5002098896580084
EOS-2-33637,Cc1onc(-c2ccc(Cl)cc2)c1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,GMHXAXLHCLTDGE-UHFFFAOYSA-N,2,1,0.462,83,533,422.275,5.729,5,0.372,0.86,1.0,0.3258001507778768,0.5485744637105064,0.8277705434857103,0.9168751285038722,0.6547550716194914
EOS-2-33638,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(Cl)c(Cl)c5)n34)cc2)co1,GJCARSVLFIJGSZ-UHFFFAOYSA-N,2,1,0.366,96,558,422.275,5.729,5,0.372,0.87,1.0,0.3997241450209033,0.5623929134397917,0.9120519498320883,0.9340261119868412,0.7020487800699061
EOS-2-33639,Brc1ccc(-c2nnc3cncc(OCc4nnc5ccccn45)n23)cc1,MOOAVKJORYRGGM-UHFFFAOYSA-N,2,1,0.592,34,32,422.246,3.176,5,0.443,0.85,1.0,0.6790829963676239,0.7706462888081694,0.2759149475704201,0.3871136316907683,0.5281894661092454
EOS-2-33640,Clc1cc(-c2cnc(-c3cncc4nnc(-c5ccncc5)n34)cn2)nnc1Cl,HGOIBFJOVREBRX-UHFFFAOYSA-N,2,1,0.469,50,845,422.239,3.407,5,0.435,0.69,1.0,0.22752895620588034,0.317567336029059,0.4157100267288054,0.5755688438078267,0.38409379069289284
EOS-2-33641,Clc1ccc(-c2nnc3cncc(OCc4nn(-c5ccc(Cl)c(Cl)c5)s4)n23)cc1,WRFVBTMGZHCFJT-UHFFFAOYSA-N,2,1,0.618,34,612,477.764,5.578,5,0.33,0.77,1.0,0.5739411280926598,0.8309917072167775,0.731898087862381,0.8849890343362347,0.7554549893770133
EOS-2-33642,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4Cl)n23)cc1-c1ccc(Cl)s1,ZLUUMQDOKKGPKG-UHFFFAOYSA-N,2,1,0.411,13,956,477.764,6.006,5,0.317,0.72,1.0,0.3333476115413611,0.42246933040915635,0.7862380919745048,0.8890754574737852,0.6077826228497019
EOS-2-33643,Cc1cnc(COc2cncc3nnc(-c4cc(F)c(Cl)c(Cl)c4)n23)c(F)c1,IDNKAEJTXQRZCW-UHFFFAOYSA-N,2,1,0.571,90,255,422.222,4.659,4,0.448,0.71,1.0,0.8767476526626002,0.9211928586114728,0.954920841614694,0.965312521417312,0.9295434685765197
EOS-2-33644,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,MDVSOEXBQUBWIQ-UHFFFAOYSA-N,2,1,0.707,23,281,422.222,4.393,4,0.447,0.7,1.0,0.9771520115139469,0.9867298334589816,0.9382239051470084,0.9663833870193955,0.9671222842848332
EOS-2-33645,Fc1ccc(-c2nnc3cncc(-c4cnn(-c5ncc(Cl)cc5C(F)(F)F)c4)n23)c(F)c1,HNWZVNGVMKLPRB-UHFFFAOYSA-N,2,1,0.375,45,315,477.784,4.989,5,0.342,0.67,0.999,0.06994037420327599,0.422477897333973,0.9904564457542321,0.9902936741827154,0.6182920978685491
EOS-2-33646,Cc1cc(-c2noc(COc3cncc4nnc(-c5ccc(C(F)(F)F)c(Cl)c5)n34)n2)no1,UYARJSVIFFIQTJ-UHFFFAOYSA-N,2,1,0.452,27,343,477.79,4.389,5,0.363,0.66,1.0,0.8110479062435748,0.8414861901171955,0.8365773421972449,0.7683589198821191,0.8143675896100335
EOS-2-33647,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)no1,DMLBMMFWWBGUKT-UHFFFAOYSA-N,2,1,0.528,36,728,477.794,3.221,5,0.375,0.66,1.0,0.5291618120759373,0.7534696045507505,0.7608971283668015,0.7106606812418614,0.6885473065588377
EOS-2-33648,Fc1ccc(Cl)c(F)c1-n1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nn1,XMRPPAXUXRITAV-UHFFFAOYSA-N,2,1,0.306,3,783,477.822,4.021,6,0.35,0.67,1.0,0.08924165581522857,0.31757590295387567,0.6955914604893427,0.7730707285312864,0.4688699369474334
EOS-2-33649,N#Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)n2)nc1Cl,OATIZIXFMWDSHI-UHFFFAOYSA-N,2,1,0.495,73,212,477.822,3.421,5,0.35,0.64,0.999,0.8291069837571106,0.917397710917689,0.6545216229182372,0.7213607703378795,0.780596771982729
EOS-2-33650,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cn5)n34)nn2)c(F)c1Cl,IQSVUZBFBXRJKM-UHFFFAOYSA-N,2,1,0.286,10,872,477.822,4.021,6,0.35,0.62,0.997,0.07796758275649372,0.1786803509012405,0.6603556987183881,0.7320265917346309,0.4122575560276883
EOS-2-33651,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2F)cnc1F,MDMDCZVNWCXTSA-UHFFFAOYSA-N,2,1,0.37,46,94,477.822,3.421,5,0.35,0.61,1.0,0.7634672058118018,0.7835309437324378,0.7539750531149338,0.7581557124254678,0.7647822287711603
EOS-2-33652,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)nn2)cc1F,YCHMQLASVTWVCL-UHFFFAOYSA-N,2,1,0.419,54,411,477.822,3.421,5,0.374,0.69,0.867,0.7184480159002125,0.6976817901446097,0.6956000274141594,0.7320351586594476,0.7109412480296072
EOS-2-33653,Cc1nnc(-c2cc(-c3nnc4cncc(Oc5cc(-c6nnnn6C)on5)n34)ccc2Cl)o1,RGXYIEYUXSQYFJ-UHFFFAOYSA-N,2,1,0.392,36,706,477.832,2.774,6,0.357,0.67,1.0,0.42422554999657325,0.5578096086628743,0.04366561579055582,0.06415769995202522,0.27246461860050714
EOS-2-33654,COc1cc(C#N)c(F)cc1-c1nnc2cncc(-c3cn(C)nc3-c3ccc(F)c(Cl)c3)n12,RBKIVVQFRDNGBN-UHFFFAOYSA-N,2,1,0.341,45,102,477.862,4.671,5,0.373,0.66,1.0,0.3543965458159139,0.5114111438558016,0.9417106435473922,0.932227057775341,0.6849363477486122
EOS-2-33655,COCn1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cc1=O,YYLKAKNZOYGORR-UHFFFAOYSA-N,2,1,0.378,51,196,477.872,2.036,5,0.342,0.46,0.929,0.4172006716469056,0.37062230141868274,0.11652731135631554,0.12616510177506682,0.2576288465492427
EOS-2-33656,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)cc2)cn1,IKWPUXOCWRIATG-UHFFFAOYSA-N,2,1,0.337,9,641,477.875,4.49,6,0.337,0.74,1.0,0.2755465698033034,0.4840055513672812,0.6250342676992666,0.6764529504489069,0.5152598348296895
EOS-2-33657,COc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2OC)cn1,MOIQNXZQOXOYAW-UHFFFAOYSA-N,2,1,0.518,13,209,477.883,5.455,5,0.321,0.69,1.0,0.8661589335891988,0.854473648139264,0.9185885134672058,0.8508412720169968,0.8725155918031664
EOS-2-33658,OCc1cc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5F)nc4)n23)ccc1Cl,KXFDYXURYSRHNN-UHFFFAOYSA-N,2,1,0.505,57,709,477.883,4.842,5,0.358,0.74,1.0,0.9301281611952573,0.9417963127955589,0.9302994996915908,0.9058066616407374,0.9270076588307862
EOS-2-33659,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)ccc1=O,HARRYNOFMUTFEO-UHFFFAOYSA-N,2,1,0.663,84,360,477.887,3.361,5,0.369,0.75,0.989,0.7395911863477486,0.6684086080460558,0.5817627304502776,0.6001473511068467,0.6474774689877321
EOS-2-33660,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)nn2)cn1,QWQWVXUYDDRMRJ-UHFFFAOYSA-N,2,1,0.598,19,691,477.887,4.066,5,0.346,0.78,1.0,0.8824874922897676,0.8081265848810911,0.6793657048865739,0.6361798368857515,0.751539904735796
EOS-2-33661,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)cn1,SMONLTNHVYVIAX-UHFFFAOYSA-N,2,1,0.527,84,672,477.887,4.066,5,0.346,0.73,1.0,0.8291155506819272,0.8778185182646837,0.662985744637105,0.6093824960592146,0.7448255774107327
EOS-2-33662,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1ccc(F)nc1,ZREOMAVZQJNYGI-UHFFFAOYSA-N,2,1,0.474,20,103,477.887,4.066,5,0.323,0.64,1.0,0.9155215543828388,0.8663131382358988,0.6517887739017202,0.6093910629840312,0.7607536323761223
EOS-2-33663,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)ccc1=O,MKHXDHRLFTXEHH-UHFFFAOYSA-N,2,1,0.51,84,672,477.887,3.361,5,0.369,0.71,0.991,0.6306541703790007,0.6437444314988692,0.5589575765883079,0.5972174628195462,0.607643410321431
EOS-2-33664,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)ccc1=O,YEVWKLVYDNVNDJ-UHFFFAOYSA-N,2,1,0.663,84,360,477.887,3.361,5,0.369,0.76,0.989,0.7365413611130148,0.6684171749708725,0.585026728805428,0.6029744362963471,0.6482399252964156
EOS-2-33665,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(F)c2)cc1=O,ZJTUWCOHBJJDNG-UHFFFAOYSA-N,2,1,0.522,35,619,477.887,3.361,5,0.369,0.76,1.0,0.6605613049139881,0.6058100884106641,0.6431104790624358,0.6705760400246727,0.6450144781029402
EOS-2-33666,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)cn1,YJXJYARFYKBWTG-UHFFFAOYSA-N,2,1,0.535,84,749,477.887,4.066,5,0.346,0.76,1.0,0.8241638681378932,0.8484596669179632,0.6337039956137345,0.5880508532657117,0.7235945959838256
EOS-2-33667,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)c2)ccc1=O,HKJPZLAHUCCJHK-UHFFFAOYSA-N,2,1,0.522,84,73,477.887,3.361,5,0.369,0.64,1.0,0.5083870193955178,0.4840141182920979,0.6192430265231992,0.641816873415119,0.5633652594064834
EOS-2-33668,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)cc1=O,NSNYJVVJPQDRSK-UHFFFAOYSA-N,2,1,0.505,84,672,477.887,3.361,5,0.369,0.8,1.0,0.5911863477486121,0.6107018024809814,0.6337125625385511,0.6588050853265712,0.623601449523679
EOS-2-33669,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ccc(Cl)cn1,MIDBEFGFPQDMDP-UHFFFAOYSA-N,2,1,0.462,49,501,477.887,4.066,5,0.346,0.56,0.996,0.7573161537934343,0.716811733260229,0.4907391542731821,0.46911623603591257,0.6084958193406894
EOS-2-33670,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cn2)ccc1=O,KEEUOXMSPPLCMH-UHFFFAOYSA-N,2,1,0.528,84,672,477.887,3.361,5,0.369,0.71,0.998,0.6055873483654307,0.6389555205263519,0.5589661435131246,0.597226029744363,0.6001837605373175
EOS-2-33671,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cn2)cc(F)c1=O,SLXSBEODWPUNLZ-UHFFFAOYSA-N,2,1,0.58,84,73,477.887,3.361,5,0.369,0.67,1.0,0.5969433212254129,0.5298214652868206,0.4560431087656775,0.5435713796175725,0.5315948187238709
EOS-2-33672,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)cc1=O,ITSWYXDUJNTWBH-UHFFFAOYSA-N,2,1,0.655,84,360,477.887,3.361,5,0.369,0.79,1.0,0.6968336645877595,0.6157734219724488,0.6575628812281543,0.6619577136591049,0.6580319203618669
EOS-2-33673,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2F)cn1,FILVRHUEHGULER-UHFFFAOYSA-N,2,1,0.544,35,426,477.887,3.55,5,0.354,0.7,1.0,0.8787523130697005,0.875,0.7082362415187444,0.6965852237680762,0.7896434445891303
EOS-2-33674,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnc(F)cn1,WVJLAGZPNHPMBT-UHFFFAOYSA-N,2,1,0.528,35,669,477.887,4.066,5,0.323,0.65,1.0,0.9366818586800082,0.8750085669248167,0.7007915838530601,0.6242032759920499,0.7841713213624837
EOS-2-33675,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccc2F)cc1=O,YSGWJJLSXHWTOF-UHFFFAOYSA-N,2,1,0.505,37,490,477.887,3.361,5,0.369,0.61,1.0,0.6138287300390651,0.6342779795764513,0.6163131382358988,0.6531851826468371,0.6294012576245631
EOS-2-33676,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3nncn3C3CCOc4ccccc43)n12,TYLSCYHQDSGEJA-UHFFFAOYSA-N,2,1,0.414,34,671,477.887,4.126,6,0.376,0.5,1.0,0.5210832019738195,0.462425467754095,0.5690408470975259,0.6705846069494894,0.5557835309437325
EOS-2-33677,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncccc1F,SLVCUMHJNSDDEY-UHFFFAOYSA-N,2,1,0.44,49,769,477.887,4.066,5,0.323,0.61,1.0,0.7747241450209033,0.673197519018573,0.41935096977588926,0.4185371119183058,0.5714524364334178
EOS-2-33678,COc1ncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)c(C)n1,AWMFYJCVZSQKDG-UHFFFAOYSA-N,2,1,0.511,4,71,477.887,4.332,5,0.356,0.7,1.0,0.85054999657323,0.9298625865259407,0.5116938523747515,0.47220889589472964,0.691078832842163
EOS-2-33679,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)cc1=O,JCTSKIQCPSYQKX-UHFFFAOYSA-N,2,1,0.655,84,360,477.887,3.361,5,0.369,0.74,0.998,0.745690836817216,0.6781235007881571,0.6461945719964362,0.644703927078336,0.6786782091700364
EOS-2-33680,OCc1c(Cl)cncc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,GTFNCBHAXFUVKJ-UHFFFAOYSA-N,2,1,0.417,18,840,477.887,3.55,5,0.379,0.54,1.0,0.6511890891645535,0.5767339455828936,0.7266465629497636,0.7374494551435816,0.6730047632101981
EOS-2-33681,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)ccc1=O,VEEYMNUBDPPROQ-UHFFFAOYSA-N,2,1,0.484,11,639,477.887,3.361,5,0.346,0.7,1.0,0.6666780892330889,0.6293691316565005,0.5044548009046672,0.5435799465423892,0.5860204920841614
EOS-2-33682,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)cn1,HHAHQGQFTABIHQ-UHFFFAOYSA-N,2,1,0.687,84,360,477.887,4.066,5,0.346,0.77,1.0,0.9065948187238709,0.8778270851895004,0.6846172297991913,0.6156106504009321,0.7711624460283736
EOS-2-33683,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cncc(F)c1,UAYKKXHXBGDHPK-UHFFFAOYSA-N,2,1,0.444,49,501,477.887,4.066,5,0.323,0.65,1.0,0.8456925502021794,0.7213350695634295,0.6073178671783976,0.5694520594887259,0.6859493866081832
EOS-2-33684,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1cccc(Cl)n1,NOTYGUWPYPTGGU-UHFFFAOYSA-N,2,1,0.434,49,501,477.887,4.066,5,0.323,0.5,0.997,0.7778939072030704,0.7213436364882462,0.4665718593653622,0.4472534439037763,0.6032657117401138
EOS-2-33685,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccc(Cl)cn1,VTPIZCWNUQUHEU-UHFFFAOYSA-N,2,1,0.469,49,501,477.887,4.066,5,0.323,0.61,1.0,0.8617726680830649,0.7618223562470016,0.5524724145020903,0.5096120896443013,0.6714198821191144
EOS-2-33686,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ccc(F)cn1,MUGGUJZIHHWBIG-UHFFFAOYSA-N,2,1,0.439,49,501,477.887,4.066,5,0.346,0.63,0.987,0.7834367075594545,0.7123654992803783,0.4939688849290659,0.4844338976081146,0.6185512473442533
EOS-2-33687,CCOc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1cncc(Cl)c1,KWMGBKXVNVUHTK-UHFFFAOYSA-N,2,1,0.447,46,162,477.887,4.414,5,0.34,0.72,0.882,0.6138372969638819,0.6634569255020218,0.5913833870193955,0.5661794942087588,0.6087142759235146
EOS-2-33688,COc1cnc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,KCVVWDQWNOVDBY-UHFFFAOYSA-N,2,1,0.469,35,76,477.887,4.066,5,0.323,0.62,1.0,0.8969570283051196,0.8910458501816189,0.695608594338976,0.6213847577273662,0.7762490576382701
EOS-2-33689,OCc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)cc1F,UAHHTZKOFORJIH-UHFFFAOYSA-N,2,1,0.484,75,496,477.887,3.55,5,0.379,0.62,1.0,0.7690956754163526,0.6634654924268385,0.6821328216023577,0.6825440339935577,0.6993095058597766
EOS-2-33690,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncc(F)cn1,FOQWDYZMTUBHNY-UHFFFAOYSA-N,2,1,0.532,35,467,477.887,4.066,5,0.346,0.66,1.0,0.947878829415393,0.8694143650195326,0.6305856349804674,0.5789013775615105,0.7566950517442259
EOS-2-33691,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ncn2)cn1,SLQZEJAQQDAYQC-UHFFFAOYSA-N,2,1,0.473,44,130,477.887,4.066,5,0.346,0.7,0.999,0.7365499280378316,0.7213522034130628,0.6682287026249057,0.6242118429168666,0.6875856692481668
EOS-2-33692,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1ccccn1,FLSSKQBBMXTJST-UHFFFAOYSA-N,2,1,0.453,49,501,477.887,4.066,5,0.323,0.62,0.999,0.8527859639503804,0.712374066205195,0.5219398944554863,0.4781200740182304,0.641304999657323
EOS-2-33693,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccc(F)cn1,OTRJMZZERQPCIN-UHFFFAOYSA-N,2,1,0.469,49,501,477.887,4.066,5,0.323,0.62,1.0,0.8639401000616819,0.7490833390446165,0.5490970461243232,0.5096206565691179,0.667935285449935
EOS-2-33694,COc1ncncc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(Cl)c(F)c4)c3)n12,QELPDEYPXJCZIH-UHFFFAOYSA-N,2,1,0.557,75,496,477.887,4.066,5,0.346,0.64,1.0,0.9034336234665205,0.857514906449181,0.6431190459872524,0.6184634363648824,0.7556327530669591
EOS-2-33695,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)cn1,RRSSZERBTOLLML-UHFFFAOYSA-N,2,1,0.6,35,626,477.887,4.066,5,0.323,0.64,1.0,0.9425502021794256,0.8936587622507025,0.6982986087314098,0.6361884038105682,0.7926739942430266
EOS-2-33696,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1cnc(C)c(F)c1,KDVLIGSGYHJDIN-UHFFFAOYSA-N,2,1,0.462,16,83,477.887,4.332,5,0.356,0.62,1.0,0.7691042423411693,0.735376259337948,0.7291823726954972,0.629925981769584,0.7158972140360497
EOS-2-33697,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c(F)c2)cc1=O,IIQCTKOHMITKPB-UHFFFAOYSA-N,2,1,0.479,37,470,477.887,3.361,5,0.346,0.64,1.0,0.5739496950174765,0.5713282160235762,0.5622130080186416,0.5972345966691797,0.5761813789322185
EOS-2-33698,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cn2)cc1=O,ARFCZCUHRMDREH-UHFFFAOYSA-N,2,1,0.505,84,672,477.887,3.361,5,0.369,0.76,1.0,0.5941419368103625,0.6107103694057981,0.6337211294633678,0.6560551024604208,0.6236571345349873
EOS-2-33699,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2F)cc1=O,HXQACPSTPSJMEQ-UHFFFAOYSA-N,2,1,0.557,37,669,477.887,3.361,5,0.346,0.7,1.0,0.7215749434582962,0.6830494825577411,0.6655986567061888,0.6764615173737235,0.6866711500239874
EOS-2-33700,OCc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccc2F)cn1,LZIYWCHRJITSGP-UHFFFAOYSA-N,2,1,0.478,20,846,477.887,3.55,5,0.379,0.59,1.0,0.872781166472483,0.8721129463367829,0.6656072236310054,0.6764700842985402,0.7717428551847029
EOS-2-33701,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncccc1F,FJWDYBCCMPRHTQ-UHFFFAOYSA-N,2,1,0.457,49,501,477.887,4.066,5,0.323,0.6,1.0,0.8505585634980467,0.7168203001850456,0.5082328147488178,0.48122130080186415,0.6392082448084435
EOS-2-33702,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)ccc1=O,VRGBZSREQWHKPW-UHFFFAOYSA-N,2,1,0.549,91,626,477.887,3.361,5,0.346,0.66,1.0,0.727614625454047,0.6684257418956892,0.6043280104173806,0.6213933246521829,0.6554404256048249
EOS-2-33703,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncc(F)cn1,HFUKDMJLQBSQDF-UHFFFAOYSA-N,2,1,0.534,35,467,477.887,4.066,5,0.323,0.67,1.0,0.9638647111232952,0.8750171338496333,0.6462031389212528,0.5789099444863272,0.7659987320951271
EOS-2-33704,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1-c1ccccc1F,RTWJYANDJGNFSQ-UHFFFAOYSA-N,2,1,0.452,49,501,477.887,4.066,5,0.346,0.62,0.957,0.7456994037420328,0.6830580494825578,0.48386848057021453,0.4872267150983483,0.5999631622232884
EOS-2-33705,COc1cc(-c2nnc3cncc(OCc4ncc(C)nc4-c4ccc(F)nc4)n23)ccc1Cl,VLLSQMYIIJMEPG-UHFFFAOYSA-N,2,1,0.448,4,67,477.887,4.332,5,0.333,0.59,1.0,0.8003649509971901,0.8694229319443493,0.6221814817353163,0.5694606264135426,0.7153574977725996
EOS-2-33706,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2C)cc1F,GQGSEYPXPHRCLD-UHFFFAOYSA-N,2,1,0.447,16,401,477.887,4.332,5,0.356,0.68,1.0,0.6571945034610376,0.7168288671098623,0.6710729216640394,0.5821139743677609,0.656802566650675
EOS-2-33707,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)ccc1=O,FSBPORHTBYQDGA-UHFFFAOYSA-N,2,1,0.618,84,360,477.887,3.361,5,0.369,0.72,1.0,0.5766054417106435,0.4933434994174491,0.6431276129120691,0.6531937495716538,0.591567575902954
EOS-2-33708,COc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1ccc(Cl)nc1,WWXHVDXKJVEVNG-UHFFFAOYSA-N,2,1,0.414,49,769,477.887,4.066,5,0.323,0.64,1.0,0.7747327119457199,0.6976903570694264,0.5288619697073539,0.48723528202316496,0.6221300801864162
EOS-2-33709,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)cc1Cl,ZJQFTLVXGTWRPY-UHFFFAOYSA-N,2,1,0.484,87,304,477.887,4.066,5,0.346,0.64,0.981,0.8187838393530258,0.8637344938660818,0.5913919539442122,0.5466126379274896,0.7051307312727023
EOS-2-33710,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)ccc1=O,AXGUUBDSFJSCOS-UHFFFAOYSA-N,2,1,0.516,37,563,477.887,3.361,5,0.369,0.68,1.0,0.6760588719073402,0.6634740593516552,0.5354842025906381,0.5694691933383592,0.6111215817969982
EOS-2-33711,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)cc2)cc1=O,NXBKDGCPTPZDHF-UHFFFAOYSA-N,2,1,0.517,91,470,477.887,3.361,5,0.346,0.66,1.0,0.7000034267699267,0.6342865465012679,0.6130405729559317,0.6329929408539511,0.6450808717702693
EOS-2-33712,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccc(Cl)nc1,FLTPZIFSEJLNLG-UHFFFAOYSA-N,2,1,0.457,49,384,477.887,4.066,5,0.323,0.65,1.0,0.8661675005140155,0.7447827427866494,0.6163217051607155,0.5565331368651909,0.6959512713316429
EOS-2-33713,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)cc1=O,BAKXFGHBBOAGGK-UHFFFAOYSA-N,2,1,0.562,35,669,477.887,3.361,5,0.346,0.71,1.0,0.6727948735521897,0.6437529984236858,0.6603642656432047,0.6676461517373724,0.6611395723391131
EOS-2-33714,COc1nc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)ccc1-c1ccc(F)nc1,MSHIOJWZNJQJDD-UHFFFAOYSA-N,2,1,0.429,49,384,477.887,4.066,5,0.323,0.6,1.0,0.8706394352683161,0.7534781714755672,0.5850352957302447,0.5435885134672058,0.6881853539853334
EOS-2-33715,Cc1cc(COc2cncc3nnc(-c4cc(Cl)c(-c5cnn(C)c(=O)c5)cc4F)n23)ccn1,WYTDQUACLXWFML-UHFFFAOYSA-N,2,1,0.451,16,605,477.887,3.627,5,0.381,0.65,1.0,0.5008738263313001,0.5298300322116373,0.7135049002809951,0.6794513741347405,0.6059150332396683
EOS-2-33716,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccc(F)nc1,KMDNXAZYVADBEG-UHFFFAOYSA-N,2,1,0.457,49,384,477.887,4.066,5,0.323,0.62,1.0,0.8682835309437325,0.7401651703104654,0.6163302720855321,0.5565417037900076,0.6953301692824345
EOS-2-33717,OCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)cn1,XFJLJONQRKHFEF-UHFFFAOYSA-N,2,1,0.711,84,360,477.887,3.55,5,0.379,0.73,1.0,0.8617812350078816,0.8961431704475361,0.7058974710437941,0.6880782674251251,0.7879750359810842
EOS-2-33718,COc1cc(F)ccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,OWKDXUCXNINYPC-UHFFFAOYSA-N,2,1,0.475,72,132,477.887,4.066,5,0.346,0.72,0.999,0.8340072647522445,0.8883558357891851,0.5914005208690288,0.5755774107326435,0.7223352580357755
EOS-2-33719,COc1nc(-c2nnc3cncc(OCCc4cc(F)nc(Cl)c4)n23)ccc1-c1ccccn1,AGELFJRPSWJZKQ-UHFFFAOYSA-N,2,1,0.467,49,501,477.887,4.066,5,0.323,0.65,1.0,0.8412034815982455,0.6928414776231924,0.5082413816736344,0.46288808169419504,0.6262936056473168
EOS-2-33720,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)cc1=O,YRZFDRADQJNYRG-UHFFFAOYSA-N,2,1,0.505,84,749,477.887,3.361,5,0.369,0.77,1.0,0.5911949146734288,0.5871598930847783,0.6043365773421973,0.6361969707353848,0.6047220889589473
EOS-2-33721,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)ncc1=O,JXGLMQUOEQFNHT-UHFFFAOYSA-N,2,1,0.551,35,626,477.887,3.361,5,0.346,0.68,1.0,0.7975378658076897,0.7706548557329861,0.657571448152971,0.6647505311493387,0.7226286752107465
EOS-2-33722,COc1ccc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)nc3)n12,JWMDEIANJKMSGN-UHFFFAOYSA-N,2,1,0.449,11,173,477.887,4.066,5,0.323,0.64,0.921,0.7890223425399219,0.8829158385306011,0.572621821670893,0.5262833253375369,0.6927108320197382
EOS-2-33723,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2F)ncc1=O,CASQEGTZYUZLHU-UHFFFAOYSA-N,2,1,0.557,35,669,477.887,3.361,5,0.346,0.66,1.0,0.7890309094647385,0.7618309231718182,0.6462117058460695,0.6532023164964704,0.7125689637447741
EOS-2-33724,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5c(F)ccnc5Cl)n34)c2)cc1=O,LLBURBHLKISEHK-UHFFFAOYSA-N,2,1,0.511,15,438,477.887,3.361,5,0.346,0.67,1.0,0.5685353985333425,0.5208347611541361,0.5757059146048934,0.6001559180316633,0.5663079980810088
EOS-2-33725,CCc1nc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1-c1ncc(F)cn1,CWWYXHOVMNSYTG-UHFFFAOYSA-N,2,1,0.429,65,263,477.891,3.41,5,0.325,0.6,0.939,0.8214995545199095,0.7353848262627647,0.1518487423754369,0.17536495099719004,0.47102451853882527
EOS-2-33726,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)c2)ccc1Cl,AZIHYGZATGJZFO-UHFFFAOYSA-N,2,1,0.517,88,222,477.902,5.715,5,0.313,0.75,1.0,0.9034421903913371,0.9389692276060585,0.9638047426495785,0.9668374340346789,0.9432633986704132
EOS-2-33727,FC(F)c1ncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cs2)s1,FUHBWXPSNBTNQK-UHFFFAOYSA-N,2,1,0.467,27,69,477.909,4.936,5,0.32,0.62,1.0,0.5655969433212255,0.7706634226578027,0.42342882598862314,0.4406569117949421,0.5500865259406483
EOS-2-33728,COc1cc(-c2nnc3cncc(OCCOc4ccc(Cl)cc4)n23)ccc1-c1nncn1C,ZJLSQDACXQELAV-UHFFFAOYSA-N,2,1,0.535,91,771,477.912,3.707,5,0.312,0.75,1.0,0.7487320951271331,0.5578181755876911,0.5009937632787335,0.4282520046604071,0.5589490096634913
EOS-2-33729,COc1cc(-c2nnc3cncc(OCc4c(-c5ccccn5)nn(C)c4OC)n23)ccc1Cl,HOHAWDPETOEPPV-UHFFFAOYSA-N,2,1,0.484,16,67,477.912,3.836,5,0.348,0.65,1.0,0.4082139675142211,0.5436741827153725,0.2759235144952368,0.22354533616612982,0.36283925022274
EOS-2-33730,Cc1nc(Cl)sc1COc1cncc2nnc(-c3ccnc(-c4ccc(C#N)cc4F)c3)n12,LAFDNWAMQOBPNI-UHFFFAOYSA-N,2,1,0.517,97,183,477.912,4.861,5,0.356,0.72,1.0,0.8215081214447262,0.7835395106572545,0.6956171612637927,0.7238537454595299,0.7561296347063258
EOS-2-33731,Clc1ccc(Oc2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)c1,SQZWSJBMYFOYOP-UHFFFAOYSA-N,2,1,0.322,30,696,477.915,5.756,6,0.312,0.75,1.0,0.3207199643615928,0.42248646425878966,0.8010931396066068,0.8258087177026935,0.5925270714824207
EOS-2-33732,Clc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)nc1,MAXYGEPWFPYMGN-UHFFFAOYSA-N,2,1,0.476,12,285,477.915,5.756,6,0.312,0.78,1.0,0.8085634980467411,0.8237098211226098,0.6983071756562265,0.7374580220683983,0.7670096292234939
EOS-2-33733,Clc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccccc6)nn5)n34)cc2)cn1,LAOGKUGZHDYHFA-UHFFFAOYSA-N,2,1,0.398,12,285,477.915,5.756,6,0.292,0.78,1.0,0.777902474127887,0.7747412788705367,0.7700551709958193,0.7918408608046056,0.7786349461997122
EOS-2-33734,COc1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1nc(C)c(C)n1C,NSIWJULYZNMQMO-UHFFFAOYSA-N,2,1,0.343,31,456,477.916,3.235,5,0.339,0.61,0.932,0.4172092385717223,0.3562727023507642,0.0392536495099719,0.022625248440819683,0.2088402097183195
EOS-2-33735,CCOc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4ccncc4Cl)n23)nn1C,DIFACJKAEOKKMQ-UHFFFAOYSA-N,2,1,0.366,31,569,477.916,3.316,5,0.347,0.65,0.382,0.35665821396751424,0.2607771914193681,0.16134089507230484,0.1261736686998835,0.2262374922897677
EOS-2-33736,CCn1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)nc1CO,RJEYMZLYYIOCTO-UHFFFAOYSA-N,2,1,0.475,65,981,477.916,2.627,5,0.358,0.69,1.0,0.33335617846617777,0.39925296415598654,0.04214927009800562,0.07110547597834281,0.2114659721746282
EOS-2-33737,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nc(C)nn1C,RWNLBMQBDHMVTO-UHFFFAOYSA-N,2,1,0.438,31,456,477.916,2.969,5,0.326,0.57,0.999,0.4290915632924405,0.3365002398738949,0.0659481872387088,0.053680350901240494,0.22130508532657114
EOS-2-33738,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1nc(C)nn1C,LMDQCPJCFXXMRJ-UHFFFAOYSA-N,2,1,0.449,31,456,477.916,2.969,5,0.348,0.6,0.726,0.4760468782125968,0.3755482831882667,0.05055342334315674,0.04316873415118909,0.2363293297238023
EOS-2-33739,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)cn1,SVPSQNUUZKLJCB-UHFFFAOYSA-N,2,1,0.421,31,569,477.916,2.798,5,0.311,0.62,1.0,0.26270474950311834,0.16990781988897266,0.17409704612432322,0.15680899184428757,0.19087965184017544
EOS-2-33740,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)nc5)n34)nc2)nn1,QCRYJGODRNNARU-UHFFFAOYSA-N,2,1,0.354,32,572,477.919,4.729,6,0.358,0.7,1.0,0.2436947433349325,0.33650880679871154,0.5010023302035501,0.5789185114111438,0.4150310979370845
EOS-2-33741,Cc1c(Cl)cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,HNRSUJSZNLOQAI-UHFFFAOYSA-N,2,1,0.317,86,790,477.919,4.729,6,0.358,0.57,1.0,0.28410492769515455,0.3513724213556302,0.6011239805359468,0.612749297512165,0.46233765677472416
EOS-2-33742,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6cccc(Cl)c6)n5)n34)cc2)cn1,BDSDOIPNTRXCEF-UHFFFAOYSA-N,2,1,0.357,3,186,477.919,4.729,6,0.358,0.7,1.0,0.227537523130697,0.38470632581728464,0.5189329038448358,0.5972431635939963,0.4321049790967034
EOS-2-33743,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)nc2)nn1,UWBZZPIULPHSCZ-UHFFFAOYSA-N,2,1,0.354,32,392,477.919,4.729,6,0.335,0.68,1.0,0.19990919059694331,0.33158282502912756,0.542320608594339,0.5565502707148242,0.4075907237338085
EOS-2-33744,N=c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)n6)cc5)n34)nc2)c[nH]1,FJVRFTOPLMAOCN-UHFFFAOYSA-N,2,1,0.276,69,479,477.919,4.438,6,0.362,0.66,1.0,0.16355972859982182,0.1912394626824755,0.6710814885888562,0.6588136522513879,0.42117358303063535
EOS-2-33745,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cn5)n34)n2)nn1,SLRXYJFITUIWHW-UHFFFAOYSA-N,2,1,0.342,76,541,477.919,4.729,6,0.358,0.67,1.0,0.15282537180453704,0.28151771640052087,0.4193595367007059,0.5262918922623535,0.3449986292920293
EOS-2-33746,Cc1cncc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cnc2Cl)n1,BNQCHVBGJNULCN-UHFFFAOYSA-N,2,1,0.286,32,301,477.919,4.729,6,0.358,0.6,0.999,0.21107189363306147,0.3073212939483243,0.32702522102666026,0.43134466451922415,0.3191907682818176
EOS-2-33747,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(Cl)n6)cn5)n34)cc2)nn1,OSTNZYZNTQCFCF-UHFFFAOYSA-N,2,1,0.292,38,787,477.919,4.729,6,0.335,0.69,1.0,0.1915564389006922,0.30732986087314096,0.5189414707696526,0.5166369679939689,0.38361618463436364
EOS-2-33748,Cc1nc(-c2ncc(Cl)cn2)cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1,ULGWWRHSYIGEPR-UHFFFAOYSA-N,2,1,0.286,30,301,477.919,4.729,6,0.358,0.65,1.0,0.2162548831471455,0.25580837502570075,0.31604242341169214,0.41541018436022203,0.3008789664861901
EOS-2-33749,Fc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)ccc1Cl,ZEFCEHXFHUPZEV-UHFFFAOYSA-N,2,1,0.333,21,107,477.93,6.98,6,0.275,0.75,1.0,0.3476201082859297,0.5578267425125077,0.9608148858885615,0.97539579192653,0.7104143821533823
EOS-2-33750,CCn1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)nc4)n23)c(C)n1,XOVJZLNHOFVBHI-UHFFFAOYSA-N,2,1,0.548,84,360,477.931,4.792,5,0.335,0.81,1.0,0.41965081214447264,0.5389195394421219,0.515317661572202,0.5466212048523063,0.5051273045027758
EOS-2-33751,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1cncn1C,DRMGQYLFVZHIBS-UHFFFAOYSA-N,2,1,0.586,26,308,477.931,4.563,5,0.341,0.64,0.924,0.6880782674251251,0.6488674525392365,0.597791446782263,0.5880594201905284,0.6306991467342883
EOS-2-33752,CCCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)cn2)c1,CDYQCYIKPGNFAB-UHFFFAOYSA-N,2,1,0.516,84,276,477.931,4.874,5,0.317,0.69,1.0,0.6027945308751971,0.6585480775820711,0.5786615036666438,0.5913062846960455,0.6078275992049893
EOS-2-33753,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4c(F)cc(Cl)nc4C)n23)c1,BPGXNHRIWBNEQZ-UHFFFAOYSA-N,2,1,0.48,26,448,477.931,4.792,5,0.313,0.71,1.0,0.5969518881502296,0.6157819888972654,0.5786700705914605,0.5530463984648071,0.5861125865259407
EOS-2-33754,COc1ccc(-c2cncc(-c3cncc4nnc(-c5c(C)nc(C)n5CCF)n34)c2)c(Cl)c1,JXLJZJKMSPCNPT-UHFFFAOYSA-N,2,1,0.314,82,859,477.931,4.965,5,0.343,0.67,0.791,0.27848502501542044,0.25082242478240013,0.34159756013981224,0.41541875128503875,0.32158094030566786
EOS-2-33755,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)nc1C,HCZARNTYNZQYQK-UHFFFAOYSA-N,2,1,0.431,26,1,477.931,4.792,5,0.335,0.71,0.99,0.5521554382838736,0.5965749434582962,0.6130491398807484,0.6029830032211637,0.5911906312110206
EOS-2-33756,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1cnn(CC)c1,FDYQRPQRIXDGBX-UHFFFAOYSA-N,2,1,0.534,59,717,477.931,5.004,5,0.328,0.69,0.935,0.44274724145020905,0.479910561304914,0.6073264341032143,0.588067987115345,0.5295130559934206
EOS-2-33757,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1cncn1CCF,RCARZMPSAAOOAJ-UHFFFAOYSA-N,2,1,0.538,26,1,477.931,4.603,5,0.325,0.67,0.992,0.5794153930505106,0.5253837982317867,0.49074772119799875,0.5133986704132685,0.5272363957233912
EOS-2-33758,CS(=O)(=O)Oc1ccccc1-c1cncc2nnc(-c3ccc(Cl)nc3-c3ccccc3)n12,PTDUFFSRALAJSS-UHFFFAOYSA-N,2,1,0.42,79,366,477.933,4.512,5,0.271,0.67,0.998,0.37283256802138304,0.4361250085669248,0.4907562881228154,0.5629411966280584,0.4656637653347954
EOS-2-33759,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1cc2cc[nH]c2nn1,ATXBULIUHYAHPZ-UHFFFAOYSA-N,2,1,0.38,95,477,477.941,3.8,6,0.388,0.58,0.762,0.5033925022274005,0.5389281063669386,0.15795695976972107,0.23260057569734768,0.35821953601535195
EOS-2-33760,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1-c1ccccc1,NUYBQEWNOCSBFJ-UHFFFAOYSA-N,2,1,0.548,12,603,477.955,6.481,6,0.275,0.72,1.0,0.8291241176067439,0.8637430607908985,0.9318244123089576,0.9401086286066753,0.8912000548283188
EOS-2-33761,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)nc2)cn1,WMCMLOCTMISTOD-UHFFFAOYSA-N,2,1,0.35,93,74,477.959,6.057,6,0.302,0.73,1.0,0.1802480981426907,0.2869148790350216,0.7817318895209375,0.8161109588102254,0.5162514563772188
EOS-2-33762,Cc1cccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5)n34)ccc2Cl)n1,UTEVLHOJTQXISE-UHFFFAOYSA-N,2,1,0.31,69,867,477.959,5.883,6,0.317,0.7,1.0,0.27066342265780274,0.35628126927558085,0.770063737920636,0.7730792954561031,0.5425219313275307
EOS-2-33763,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)cc4Cl)n23)cc1,MEZSQEQQNYRKCH-UHFFFAOYSA-N,2,1,0.314,69,867,477.959,5.883,6,0.317,0.73,1.0,0.24940031526283327,0.30733842779795767,0.7609056952916181,0.7606572544719348,0.519575423206086
EOS-2-33764,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)nc2)n1C,MBUNNAYFNYYEKW-UHFFFAOYSA-N,2,1,0.354,93,74,477.959,5.883,6,0.317,0.75,1.0,0.23014186827496402,0.3315913919539442,0.7082448084435611,0.7502998423685834,0.5050694777602631
EOS-2-33765,C[n+]1csc(Cl)c1CCOc1cncc2nnc(-c3cccc(-c4cncn4CC#N)c3)n12,UQRPOCMAEPANMO-UHFFFAOYSA-N,2,1,0.431,26,448,477.961,3.339,5,0.333,0.66,0.883,0.5340877938455212,0.4886402576930985,0.41189774518538824,0.39646014666575286,0.4577714858474402
EOS-2-33766,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csc(Cl)n6)s5)n34)cc2)o1,VSQGTALUEUNNGP-UHFFFAOYSA-N,2,1,0.338,38,270,477.962,5.655,6,0.323,0.66,1.0,0.21354773490507847,0.36574772119799875,0.3160509903365088,0.35808889041189773,0.3133588342128709
EOS-2-33767,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2Cl)o1,ZQHPPBZOYHIKHK-UHFFFAOYSA-N,2,1,0.329,76,653,477.962,5.655,6,0.323,0.69,1.0,0.20253066959084368,0.3706308683434994,0.47343396614351313,0.5335566445068878,0.395038037146186
EOS-2-33768,CCc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nc2CC)nc1,ITACLCOWYHVUDH-UHFFFAOYSA-N,2,1,0.4,31,717,477.981,5.062,5,0.323,0.62,0.452,0.5008823932561168,0.587168460009595,0.17723254060722363,0.17828627235967376,0.3608924165581523
EOS-2-33769,OCc1cc(Cl)ccc1-c1nnc2cncc(-c3nnc(-c4cccnc4)s3)n12,SNPFNIWJCFNANJ-UHFFFAOYSA-N,2,1,0.321,22,844,421.873,3.518,5,0.473,0.73,0.668,0.15283393872935372,0.40405900897813724,0.3568809540127476,0.49322356247001575,0.35174936604756357
EOS-2-33770,Clc1nc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cs1,SEFDUYGFHBZUIJ-UHFFFAOYSA-N,2,1,0.538,4,22,421.873,3.937,5,0.424,0.75,1.0,0.6138458638886986,0.692850044548009,0.41936810362552257,0.437461448838325,0.5408813652251387
EOS-2-33771,Clc1cncc(-c2nnc3cncc(OCc4cncc(-c5ccsc5)n4)n23)c1,UHMRKPKIFIKCDI-UHFFFAOYSA-N,2,1,0.477,2,970,421.873,3.937,5,0.424,0.71,1.0,0.4933092317181824,0.582062572818861,0.4234373929134398,0.4872438489479816,0.4965132615996162
EOS-2-33772,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncs5)cn4)n23)cc1,JGSGTVWAACLNEI-UHFFFAOYSA-N,2,1,0.616,51,969,421.873,3.937,5,0.424,0.77,1.0,0.8457011171269961,0.9230090466726064,0.4381810705229251,0.4995202522102666,0.6766028716331985
EOS-2-33773,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnsc5)n34)c2)cn1,BKJOXRDNCDDSCQ-UHFFFAOYSA-N,2,1,0.416,46,157,421.873,3.937,5,0.397,0.72,1.0,0.4884346514974985,0.4933520663422658,0.5117024192995683,0.5530549653896237,0.5116360256322391
EOS-2-33774,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5ccncn5)c4)n23)s1,RZISWOYWYPXDGC-UHFFFAOYSA-N,2,1,0.477,2,422,421.873,3.937,5,0.424,0.66,1.0,0.5545884449318073,0.6437615653485025,0.5219484613803029,0.5399390034953053,0.5650593687889796
EOS-2-33775,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)s1,GMIDKPDOFGSJMR-UHFFFAOYSA-N,2,1,0.482,2,970,421.873,3.937,5,0.424,0.64,1.0,0.5521640052086902,0.6585566445068878,0.5010108971283668,0.5263004591871702,0.5595080015077787
EOS-2-33776,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cc1,GZOHZOUTYNYCEZ-UHFFFAOYSA-N,2,1,0.482,44,488,421.873,3.937,5,0.424,0.66,0.999,0.5133215680899185,0.5713367829483929,0.42344595983825645,0.5166455349187855,0.5061874614488384
EOS-2-33777,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4)n23)nc1,JSBKXTDOMAEWOV-UHFFFAOYSA-N,2,1,0.494,72,909,421.873,3.937,5,0.424,0.8,1.0,0.5739582619422932,0.5578353094373244,0.5153262284970187,0.5755859776574601,0.555676444383524
EOS-2-33778,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)s1,RMPQVVRGZYMRPS-UHFFFAOYSA-N,2,1,0.512,4,22,421.873,3.937,5,0.424,0.71,1.0,0.7517048180385169,0.7577787677335344,0.5456788431224727,0.5755945445822768,0.6576892433692002
EOS-2-33779,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncsn5)nc4)n23)cc1,BESQMPKYEWQGDN-UHFFFAOYSA-N,2,1,0.662,16,770,421.873,3.937,5,0.424,0.75,1.0,0.8706480021931328,0.8637516277157151,0.44531731889520937,0.5134072373380851,0.6732810465355357
EOS-2-33780,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccns5)n34)c2)cn1,KFXKFQXERCUPBA-UHFFFAOYSA-N,2,1,0.416,46,157,421.873,3.937,5,0.397,0.67,1.0,0.4833887327804811,0.49336063326708246,0.452599204989377,0.5064080597628675,0.483939157699952
EOS-2-33781,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)s1,QWOWHNJTRUVDDC-UHFFFAOYSA-N,2,1,0.524,7,441,421.873,3.937,5,0.424,0.69,1.0,0.5571585223768076,0.6437701322733191,0.5288705366321705,0.5435970803920225,0.56834906791858
EOS-2-33782,Clc1ccccc1-c1nnc2cncc(OCc3scnc3-c3cnccn3)n12,AEJWUXCCRNBKON-UHFFFAOYSA-N,2,1,0.537,55,540,421.873,3.937,5,0.424,0.7,1.0,0.5468610787471729,0.6781320677129737,0.2869662805839216,0.40560962236995407,0.47939226235350557
EOS-2-33783,Clc1cncc(COc2cncc3nnc(-c4ccnc(-c5cnsc5)c4)n23)c1,QBCWEMCPEVZANP-UHFFFAOYSA-N,2,1,0.512,75,939,421.873,3.937,5,0.424,0.61,1.0,0.5912034815982455,0.5713453498732095,0.5589747104379412,0.5880765540401618,0.5774000239873895
EOS-2-33784,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)s1,GXVUTNCKLDHLNL-UHFFFAOYSA-N,2,1,0.477,55,390,421.873,3.937,5,0.424,0.75,1.0,0.5656055102460421,0.744791309711466,0.5189500376944692,0.5335652114317044,0.5907280172709204
EOS-2-33785,Clc1ccc(-c2nnc3cncc(OCc4csc(-c5ncccn5)n4)n23)cc1,PIAWIZWKFWAZBW-UHFFFAOYSA-N,2,1,0.568,4,539,421.873,3.937,5,0.424,0.77,1.0,0.7215835103831129,0.8910544171064355,0.2396511548214653,0.332525186758961,0.5462035672674936
EOS-2-33786,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cncs5)n4)n23)cc1,JBLHDOJWFRMLFX-UHFFFAOYSA-N,2,1,0.577,97,335,421.873,3.937,5,0.424,0.78,1.0,0.8215166883695428,0.9230176135974231,0.36798368857514907,0.44380954012747587,0.6390818826673977
EOS-2-33787,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccsc5)n4)n23)cc1,OWWAWMCQAIUHGV-UHFFFAOYSA-N,2,1,0.577,4,32,421.873,3.937,5,0.424,0.74,1.0,0.7426838462065657,0.87502570077445,0.3643256116784319,0.4781286409430471,0.6150409499006236
EOS-2-33788,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncs5)n4)n23)cc1,RPIDSIVXRZVLKZ-UHFFFAOYSA-N,2,1,0.57,4,401,421.873,3.937,5,0.424,0.71,1.0,0.6880868343499418,0.9004866013295867,0.43818963744774175,0.5096292234939346,0.6340980741553013
EOS-2-33789,Clc1ncc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ccn2)cn1,FEPPTVGOHZNQTL-UHFFFAOYSA-N,2,1,0.488,55,441,421.873,3.937,5,0.397,0.72,1.0,0.6666866561579056,0.6437786991981358,0.5153347954218354,0.4964447262010829,0.5805612192447398
EOS-2-33790,Clc1cc(-c2nnc3cncc(OCc4cncs4)n23)ccc1-c1cncnc1,PTCOEIHKUWIJLO-UHFFFAOYSA-N,2,1,0.538,16,817,421.873,3.937,5,0.424,0.7,1.0,0.7336800082242478,0.7490919059694332,0.5978000137070797,0.6299345486944007,0.6776266191487903
EOS-2-33791,Clc1cc(COc2cncc3nnc(-c4cc(-c5ccsc5)cnn4)n23)ccn1,OLHUXCVWONZNSZ-UHFFFAOYSA-N,2,1,0.409,55,182,421.873,3.937,5,0.397,0.65,1.0,0.49331779864299913,0.48864882461791515,0.5288791035569872,0.5851380988280447,0.5239959564114866
EOS-2-33792,Clc1ccc(COc2cncc3nnc(-c4cc(-c5cccs5)ncn4)n23)cn1,WYHDYBUKMARFDX-UHFFFAOYSA-N,2,1,0.422,46,395,421.873,3.937,5,0.397,0.71,1.0,0.5685439654581591,0.5208433280789527,0.4381982043725584,0.4722174628195463,0.4999507401823041
EOS-2-33793,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)cn4)n23)cn1,NNXHRRYSOAXNTM-UHFFFAOYSA-N,2,1,0.463,51,969,421.873,3.937,5,0.397,0.64,1.0,0.5969604550750462,0.7706719895826194,0.42692413131382356,0.47222602974436295,0.566695651428963
EOS-2-33794,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)cc1,DSWHIVUQQMSSLR-UHFFFAOYSA-N,2,1,0.595,4,32,421.873,3.937,5,0.424,0.74,1.0,0.5109570968405182,0.7618394900966349,0.5219570283051196,0.5851466657528613,0.5949750702487835
EOS-2-33795,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)s1,WRJSJFLLTOVGGJ-UHFFFAOYSA-N,2,1,0.5,2,419,421.873,3.937,5,0.424,0.73,1.0,0.5340963607703378,0.6488760194640532,0.5726303885957097,0.597251730518813,0.5882136248372284
EOS-2-33796,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncs5)n4)n23)cc1,YALWBEFYNFEFCA-UHFFFAOYSA-N,2,1,0.577,4,539,421.873,3.937,5,0.424,0.73,1.0,0.7834452744842711,0.9156243574806388,0.35688952093756426,0.4346086628743746,0.6226419539442123
EOS-2-33797,Clc1ccc(-c2nnc3cncc(OCc4csc(-c5cnccn5)n4)n23)cc1,JDAYTZQWTXITHE-UHFFFAOYSA-N,2,1,0.57,4,32,421.873,3.937,5,0.424,0.77,1.0,0.6880954012747584,0.8575234733739977,0.3270337879514769,0.41233465835103833,0.5712468302378179
EOS-2-33798,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)nn1,OMUASQQBICDLHH-UHFFFAOYSA-N,2,1,0.525,72,208,421.873,3.937,5,0.424,0.67,1.0,0.5685525323829758,0.6488845863888698,0.4838770474950312,0.5300870399561374,0.5578503015557535
EOS-2-33799,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2C)cn1,AUQRMSQMSQHBOJ-UHFFFAOYSA-N,2,1,0.483,92,694,421.852,2.553,5,0.429,0.75,0.99,0.16090398190665478,0.19584846823384278,0.22155780960866286,0.22670653142348024,0.20125419779316017
EOS-2-33800,Cn1cc(CCOc2cncc3nnc(-c4cccc(-c5c[nH]nn5)c4)n23)c(Cl)n1,UOZLWLQPKRMZSB-UHFFFAOYSA-N,2,1,0.518,15,438,421.852,2.585,5,0.448,0.53,1.0,0.4473305462271263,0.5767425125077102,0.23233500102803098,0.27391885408813654,0.382581728462751
EOS-2-33801,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nn2C)cn1,QQRCSISEOVOGGU-UHFFFAOYSA-N,2,1,0.494,92,694,421.852,2.553,5,0.429,0.69,0.873,0.12792132136248371,0.20061167843191008,0.22490747721197998,0.23859742306901516,0.19800947501884725
EOS-2-33802,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1C,PUZACHYDEQTVQH-UHFFFAOYSA-N,2,1,0.481,36,292,421.852,3.249,5,0.429,0.62,1.0,0.48844321842231514,0.6342951134260846,0.10808889041189775,0.16466486190117197,0.3488730210403673
EOS-2-33803,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)n(C)n1,PHBBHSQMORSHLR-UHFFFAOYSA-N,2,1,0.469,36,292,421.852,3.249,5,0.429,0.67,1.0,0.5239959564114866,0.7168374340346789,0.10544171064354739,0.1621461860050716,0.37710532177369616
EOS-2-33804,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)nn1C,FMHBPQANAYKZJW-UHFFFAOYSA-N,2,1,0.391,31,694,421.852,2.553,5,0.402,0.64,1.0,0.2731135631553697,0.2352306216160647,0.14867898019326983,0.1621547529298883,0.20479447947364815
EOS-2-33805,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)nn1C,XVOALFMQAYBGST-UHFFFAOYSA-N,2,1,0.387,31,694,421.852,2.553,5,0.402,0.63,1.0,0.27312213008018643,0.2303646083201974,0.23583030635323143,0.2413816736344322,0.24517467959701186
EOS-2-33806,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)cn1,BBHRSOWFVINNBY-UHFFFAOYSA-N,2,1,0.577,36,404,421.852,2.553,5,0.429,0.8,1.0,0.4808871907340141,0.6928586114728257,0.08835069563429511,0.13689089164553492,0.3497468473716675
EOS-2-33807,Cn1cc(-c2c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2C)nn1,DVPYWRIWJWCNKG-UHFFFAOYSA-N,2,1,0.615,36,134,421.852,2.553,5,0.429,0.66,1.0,0.5468696456719896,0.6684343088205058,0.16439928723185526,0.23553903090946474,0.4038105681584538
EOS-2-33808,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)o5)n34)c2)cn1,MIFBULFYFPKKBD-UHFFFAOYSA-N,2,1,0.477,92,36,421.848,3.895,5,0.41,0.77,1.0,0.3029007607429237,0.4085823452813378,0.48750085669248167,0.45024330066479334,0.4123068158453841
EOS-2-33809,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5ncco5)c4)n23)n1,ASEUULWBQMERQR-UHFFFAOYSA-N,2,1,0.495,15,438,421.848,3.455,5,0.414,0.68,1.0,0.4884517853471318,0.4886573915427318,0.23583887327804812,0.2770115139469536,0.3724898910287163
EOS-2-33810,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)cc1,RMTHJPHVKASVRH-UHFFFAOYSA-N,2,1,0.547,15,475,421.848,3.455,5,0.414,0.66,1.0,0.6728034404770064,0.6540675759029538,0.4269326982386403,0.43747001576314165,0.5478184325954355
EOS-2-33811,Cc1nn(C)c(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1Cl,VEAYIPJSTPXSOT-UHFFFAOYSA-N,2,1,0.532,4,22,421.848,3.721,5,0.426,0.7,1.0,0.4760554451374135,0.5298385991364539,0.2977691727777397,0.3197176341580426,0.40584521280241237
EOS-2-33812,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)co1,TVTNAUIEPLNRDN-UHFFFAOYSA-N,2,1,0.5,65,981,421.848,3.455,5,0.414,0.67,1.0,0.4983551504351998,0.39432698238640257,0.4665804262901789,0.45349873209512714,0.4531903228017271
EOS-2-33813,Cn1nc(-c2nnc3cncc(OCCc4cnco4)n23)cc1-c1ccc(Cl)cc1,GZJWCMAKGHHIEY-UHFFFAOYSA-N,2,1,0.542,95,835,421.848,3.455,5,0.414,0.73,1.0,0.46614351312452884,0.4361335754917415,0.3197519018573093,0.38712219861558494,0.40228779727229114
EOS-2-33814,Cn1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1cnco1,XZJWYTZLRPDHQQ-UHFFFAOYSA-N,2,1,0.671,95,493,421.848,3.455,5,0.414,0.67,1.0,0.3613186210677815,0.25581694195051746,0.34941916249742994,0.412343225275855,0.344724487697896
EOS-2-33815,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)o5)n34)c2)cn1,MDKFUQPQCKZBES-UHFFFAOYSA-N,2,1,0.424,92,711,421.848,3.895,5,0.41,0.75,1.0,0.26526626002330206,0.32702522102666026,0.42694126516345693,0.3995528065245699,0.3546963881844973
EOS-2-33816,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)o4)n23)c1,VXBQYFIVUMLNMY-UHFFFAOYSA-N,2,1,0.443,92,544,421.848,3.721,5,0.426,0.75,0.995,0.3681550270714824,0.3847148927421013,0.4304365704886574,0.38088547734905076,0.391047991912823
EOS-2-33817,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,HBFBMAJRWYHVHS-UHFFFAOYSA-N,2,1,0.393,22,311,421.827,3.319,5,0.438,0.67,0.931,0.20253923651566033,0.47532725652799673,0.12488006305256664,0.33586628743746144,0.28465321088342127
EOS-2-33818,Cn1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)n1,BBUDYJBUQITQFZ-UHFFFAOYSA-N,2,1,0.411,13,110,421.823,4.172,5,0.433,0.72,1.0,0.39973271194571997,0.46243403467891164,0.7471386471112329,0.7581642793502844,0.5918674182715372
EOS-2-33819,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4ccnn4)cc3)n12,LMBBRENCWSUAMB-UHFFFAOYSA-N,2,1,0.582,43,612,421.823,3.744,5,0.43,0.84,1.0,0.5158316770612021,0.740173737235282,0.8150572270577754,0.8338701939551778,0.7262332088273594
EOS-2-33820,Fc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cc[nH]n1,AZDRSTWHNMQQAI-UHFFFAOYSA-N,2,1,0.517,4,31,421.823,3.948,5,0.432,0.64,1.0,0.7779110410527037,0.7618480570214515,0.7656689054896855,0.7918494277294222,0.7743193578233157
EOS-2-33821,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)nc1,GCHHOPDZYCGLGM-UHFFFAOYSA-N,2,1,0.411,13,971,421.823,4.172,5,0.433,0.75,1.0,0.5969690219998629,0.5820711397436776,0.7771143170447536,0.7847988486053047,0.6852383318483997
EOS-2-33822,Fc1cccc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)cc5)n4)n23)c1,GXNIMTXSSLEDMX-UHFFFAOYSA-N,2,1,0.523,34,612,421.823,3.744,5,0.43,0.74,1.0,0.4219810156946063,0.6011325474607635,0.6102820231649647,0.7213693372626961,0.5886912308957577
EOS-2-33823,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)n1,JNNMVZQWUSWDDN-UHFFFAOYSA-N,2,1,0.488,13,251,421.823,4.172,5,0.433,0.68,1.0,0.49085909122061544,0.6246059214584333,0.7393427455280652,0.7478325680213831,0.6506600815571243
EOS-2-33824,Cn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ccn2)cn1,ZYKCIPCWCSEQCH-UHFFFAOYSA-N,2,1,0.636,13,573,421.823,4.172,5,0.433,0.73,1.0,0.5210917688986362,0.5767510794325269,0.8257487492289768,0.8239154273182099,0.6868767562195874
EOS-2-33825,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,VMNKYIQMVZZDCF-UHFFFAOYSA-N,2,1,0.571,13,252,421.823,4.172,5,0.433,0.79,1.0,0.669899252964156,0.8910629840312522,0.7446028373654993,0.7895791926530052,0.7737860667534782
EOS-2-33826,Fc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cc[nH]n1,XHHQYKMXSCTRJD-UHFFFAOYSA-N,2,1,0.5,97,55,421.823,3.948,5,0.432,0.65,1.0,0.9126944691933384,0.8484682338427798,0.838067987115345,0.8455640463299294,0.8611986841203483
EOS-2-33827,Fc1cc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)ccc1Cl,ANHMMMVRONFRKV-UHFFFAOYSA-N,2,1,0.726,43,96,421.823,3.948,5,0.462,0.71,1.0,0.9261702419299568,0.8936673291755192,0.8756168185868001,0.8821191145226509,0.8943933760537317
EOS-2-33828,Fc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1cc[nH]n1,UTIBOGZLAPHEHI-UHFFFAOYSA-N,2,1,0.565,4,71,421.823,3.948,5,0.462,0.62,1.0,0.7184565828250291,0.770680556507436,0.7965441025289562,0.8239239942430265,0.777401309026112
EOS-2-33829,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1Cl,HYMCDJQTVWSSBG-UHFFFAOYSA-N,2,1,0.506,4,22,421.823,3.948,5,0.462,0.63,1.0,0.8160167226372421,0.7747498457953533,0.8090518127612912,0.8161195257350421,0.8039844767322323
EOS-2-33830,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)nc2F)cn1,FEQNBYNPXBOAJG-UHFFFAOYSA-N,2,1,0.53,13,573,421.823,4.172,5,0.405,0.74,1.0,0.4808957576588308,0.5528493591940237,0.7369354396545816,0.7708775957782195,0.6353895380714139
EOS-2-33831,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cc[nH]n1,FHUPLHMGJNOFHQ-UHFFFAOYSA-N,2,1,0.553,4,71,421.823,3.948,5,0.462,0.65,1.0,0.7747412788705367,0.7999880063052567,0.7922263724213556,0.8161280926598589,0.795770937564252
EOS-2-33832,Fc1ccc(-n2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,GZMDZORMSJQVPQ-UHFFFAOYSA-N,2,1,0.584,34,612,421.823,3.744,5,0.43,0.77,1.0,0.5366236035912549,0.8043400041121239,0.630594201905284,0.734810842300048,0.6765921629771777
EOS-2-33833,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)nc3)n12,LMGSTHFXOZBYSK-UHFFFAOYSA-N,2,1,0.548,16,10,421.823,3.744,5,0.43,0.71,1.0,0.4933263655678158,0.7076194229319444,0.7266551298745803,0.752912754437667,0.6701284182030018
EOS-2-33834,Fc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,CRSFAORZHPUQJD-UHFFFAOYSA-N,2,1,0.584,34,612,421.823,3.744,5,0.43,0.75,1.0,0.5291703790007539,0.7706891234322527,0.6306027688301008,0.7348194092248647,0.666320420121993
EOS-2-33835,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cn2)c1,FPLIEXGVFSMSDC-UHFFFAOYSA-N,2,1,0.603,13,573,421.823,4.172,5,0.433,0.76,1.0,0.7918579946542389,0.7835480775820711,0.7795815913919539,0.7848074155301213,0.7849487697895963
EOS-2-33836,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4cn[nH]c4)nc3)n12,SJQSMZWZPCSVCD-UHFFFAOYSA-N,2,1,0.478,59,910,421.823,3.948,5,0.462,0.7,1.0,0.8160252895620588,0.8159053526146255,0.8556815845384141,0.8594338976081146,0.8367615310808033
EOS-2-33837,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-n4cccn4)cn3)n12,WEKOIAVJXQPLNJ-UHFFFAOYSA-N,2,1,0.562,34,877,421.823,3.744,5,0.43,0.68,1.0,0.4242341169213899,0.5208518950037695,0.6928757453224591,0.7320437255842642,0.5925013707079707
EOS-2-33838,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)cn1,KDSNFNXQAHNFMP-UHFFFAOYSA-N,2,1,0.476,13,412,421.823,4.172,5,0.433,0.81,1.0,0.5418408608046056,0.7666112672195189,0.8112449455143582,0.7986429991090398,0.7295850181618806
EOS-2-33839,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4ccnc4)nc3)n12,LZWCTXUHQRACFD-UHFFFAOYSA-N,2,1,0.535,16,10,421.823,3.744,5,0.43,0.62,1.0,0.5265403330820368,0.707627989856761,0.7862466588993215,0.7895877595778219,0.7025006853539854
EOS-2-33840,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,VLPSAIQOJISRGK-UHFFFAOYSA-N,2,1,0.577,34,612,421.823,3.744,5,0.43,0.76,1.0,0.5598485367692413,0.7666198341443355,0.6306113357549175,0.737466588993215,0.6736365739154273
EOS-2-33841,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)ccc1Cl,SZJGMBXSUUOFEG-UHFFFAOYSA-N,2,1,0.58,4,391,421.823,3.744,5,0.43,0.68,1.0,0.4859588102254815,0.7401823041600987,0.7725310122678364,0.7825286135288877,0.6953001850455761
EOS-2-33842,Fc1cc(-c2cc[nH]n2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,AMZSJFPYNWAXQW-UHFFFAOYSA-N,2,1,0.472,16,772,421.823,3.948,5,0.462,0.72,1.0,0.848202659173463,0.8310002741415942,0.8184325954355425,0.837965184017545,0.8339001781920361
EOS-2-33843,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccccc5Cl)n34)n2)cc1,JXXUDQQMQCZKKQ-UHFFFAOYSA-N,2,1,0.512,34,612,421.823,3.744,5,0.43,0.78,1.0,0.3590655198409979,0.5578438763621411,0.588145089438695,0.7077136591049277,0.5531920361866904
EOS-2-33844,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2)n1,YIZGVAPATVSONW-UHFFFAOYSA-N,2,1,0.551,13,145,421.823,4.172,5,0.433,0.71,1.0,0.5685610993077925,0.6928671783976423,0.7345538345555479,0.745202522102666,0.6852961585909122
EOS-2-33845,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ncn(-c4ccccc4)n3)n12,ONGLNHWNVDHNEZ-UHFFFAOYSA-N,2,1,0.442,34,612,421.823,3.744,5,0.43,0.73,1.0,0.3820677129737509,0.5025957782194503,0.5117109862243849,0.6362055376602015,0.5081450037694469
EOS-2-33846,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5cc[nH]n5)c4)n23)ccc1Cl,YMLHCCRRNXYLJF-UHFFFAOYSA-N,2,1,0.646,59,294,421.823,3.948,5,0.462,0.58,1.0,0.8899150161058187,0.8159139195394421,0.8297495031183606,0.8379737509423617,0.8433880474264956
EOS-2-33847,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4cn[nH]c4)c3)n12,BCAPCDGBUSKCLT-UHFFFAOYSA-N,2,1,0.483,59,332,421.823,3.948,5,0.462,0.72,1.0,0.7747498457953533,0.7353933931875813,0.8412463162223288,0.857771914193681,0.8022903673497361
EOS-2-33848,Cn1ccnc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccn1,FEQJHLDZENIMBC-UHFFFAOYSA-N,2,1,0.494,13,110,421.823,4.172,5,0.433,0.7,1.0,0.5656140771708588,0.5820797066684943,0.6956257281886095,0.7186450551709959,0.6404911417997395
EOS-2-33849,Cn1cncc1-c1ccnc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)c1,QVLHONDVWLZSLP-UHFFFAOYSA-N,2,1,0.407,13,110,421.823,4.172,5,0.433,0.8,1.0,0.49333493249263244,0.4666832293879789,0.7795901583167706,0.7941710643547393,0.6334448461380303
EOS-2-33850,Fc1ccc(-c2nnc3cncc(OCc4cccc(-n5cccn5)n4)n23)cc1Cl,VELGEQPUWQRJDQ-UHFFFAOYSA-N,2,1,0.548,4,391,421.823,3.744,5,0.43,0.67,1.0,0.48339729970529777,0.62461448838325,0.6900572270577754,0.7186536220958125,0.6291806593105339
EOS-2-33851,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5cc(F)cc(Cl)c5)n34)cc2)n1,YMRMTKBQTIDPLO-UHFFFAOYSA-N,2,1,0.566,13,15,421.823,4.172,5,0.433,0.75,1.0,0.5571670893016243,0.7259869097388801,0.7216434788568296,0.7478411349461997,0.6881596532108835
EOS-2-33852,COc1cc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)n4)n23)ccc1Cl,GKHQSYPLEZLFCB-UHFFFAOYSA-N,2,1,0.343,22,730,421.823,3.84,5,0.438,0.74,1.0,0.1279298882873004,0.4982780481118498,0.7059060379686107,0.7503084092934,0.5206055959152902
EOS-2-33853,Cn1nc(-c2ccc(F)cn2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,MCYHKXYGKFZXGM-UHFFFAOYSA-N,2,1,0.507,34,706,421.823,4.172,5,0.433,0.74,1.0,0.6422966212048523,0.8608303063532314,0.6575800150777876,0.7106692481666781,0.7178440477006374
EOS-2-33854,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)cc5)n4)n23)cc1,CWGUZGWTKCURNC-UHFFFAOYSA-N,2,1,0.577,34,612,421.823,3.744,5,0.43,0.73,1.0,0.5468782125968062,0.7447998766362827,0.6306199026797341,0.7374751559180317,0.6649432869577137
EOS-2-33855,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,ZXUHUBJCMJUSJA-UHFFFAOYSA-N,2,1,0.471,13,412,421.823,4.172,5,0.433,0.7,1.0,0.6542474813241039,0.8159224864642588,0.7033959289973272,0.7133849633335618,0.7217377150298129
EOS-2-33856,Cn1cc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)c2)cn1,MHISTMPXGDHLOK-UHFFFAOYSA-N,2,1,0.537,13,573,421.823,4.172,5,0.433,0.77,1.0,0.5058940442738674,0.45788499760126106,0.8203344527448427,0.8219193338359263,0.6515082071139744
EOS-2-33857,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cn3)n12,JNRGVAIYVQQNDP-UHFFFAOYSA-N,2,1,0.561,4,10,421.823,3.744,5,0.43,0.63,1.0,0.44733911315194297,0.6928757453224591,0.7345624014803646,0.7606658213967514,0.6588607703378795
EOS-2-33858,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2)n1,RGQKDWGBMRVJAU-UHFFFAOYSA-N,2,1,0.42,13,251,421.823,4.172,5,0.433,0.72,1.0,0.42910013021725724,0.5343790692892879,0.7446114042903159,0.7503169762182167,0.6146018950037695
EOS-2-33859,Fc1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5Cl)nn4)n23)cc1,PVOVOPWSXGAQCB-UHFFFAOYSA-N,2,1,0.659,34,612,421.823,3.744,5,0.43,0.72,1.0,0.42424268384620656,0.7076365567815777,0.6400949215269687,0.7606743883215681,0.6331621376190802
EOS-2-33860,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5Cl)nn4)n23)cc1,KJQAIFBXDDFTRO-UHFFFAOYSA-N,2,1,0.575,34,799,421.823,3.744,5,0.43,0.73,1.0,0.6168357206497156,0.8081351518059078,0.6767185251182236,0.7581728462751011,0.7149655609622371
EOS-2-33861,Fc1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,ZFWYHPVXKVSPDZ-UHFFFAOYSA-N,2,1,0.712,34,612,421.823,3.744,5,0.43,0.76,1.0,0.3955263518607361,0.7168460009594956,0.6821413885271743,0.7825371804537044,0.6442627304502776
EOS-2-33862,Cn1cc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,HMVLAYSQSDRAGN-UHFFFAOYSA-N,2,1,0.432,13,110,421.823,4.172,5,0.433,0.73,1.0,0.4242512507710232,0.45355013364402713,0.8011017065314234,0.8028664930436571,0.6204423959975327
EOS-2-33863,Cn1cc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)c2)cn1,BDYKZTVBEKQCSZ-UHFFFAOYSA-N,2,1,0.432,13,110,421.823,4.172,5,0.433,0.73,1.0,0.4196593790692893,0.44469193338359264,0.8011102734562402,0.805059625796724,0.6176303029264616
EOS-2-33864,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cncc(-c4cc[nH]n4)c3)n12,CWXLIFPMXUGUKF-UHFFFAOYSA-N,2,1,0.462,59,910,421.823,3.948,5,0.462,0.67,1.0,0.7834538414090878,0.7401908710849153,0.847611541361113,0.8577804811184977,0.8072591837434036
EOS-2-33865,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)cc1Cl,DCHXPNQEBZXGTC-UHFFFAOYSA-N,2,1,0.625,59,294,421.823,3.948,5,0.462,0.72,1.0,0.8917312041669523,0.8856915221712014,0.8241810019875265,0.8317969981495442,0.858350181618806
EOS-2-33866,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccccc4F)n23)c(Cl)c1,MMPOMHQMYNAMBV-UHFFFAOYSA-N,2,1,0.488,13,252,421.823,4.172,5,0.433,0.79,1.0,0.5656226440956754,0.7448084435610993,0.7034044959221438,0.7659944486327188,0.6949575080529093
EOS-2-33867,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)cn2)cn1,CBTNTBAXLCRZLP-UHFFFAOYSA-N,2,1,0.61,13,573,421.823,4.172,5,0.433,0.82,1.0,0.5443595367007059,0.6246230553080666,0.8184411623603591,0.8161366595846755,0.7008901034884518
EOS-2-33868,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2)nn1,BBICCEXDULHQIZ-UHFFFAOYSA-N,2,1,0.531,13,145,421.823,4.172,5,0.433,0.73,1.0,0.4522308272222603,0.6488931533136865,0.7795987252415872,0.7986515660338565,0.6698435679528476
EOS-2-33869,Fc1cnc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)cc1-c1cc[nH]n1,VWJYBRXUWUVZIK-UHFFFAOYSA-N,2,1,0.462,59,16,421.823,3.948,5,0.462,0.62,1.0,0.7720512644781029,0.7076451237063943,0.7746984442464533,0.821927900760743,0.7690806832979233
EOS-2-33870,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)cc1,GYBRWBRPCJKLPC-UHFFFAOYSA-N,2,1,0.704,67,15,421.823,4.172,5,0.433,0.78,1.0,0.7691128092659859,0.787677335343705,0.7631330957439517,0.7941796312795559,0.7785257179082996
EOS-2-33871,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cc1,KVMYLJXFXQQHAA-UHFFFAOYSA-N,2,1,0.712,34,612,421.823,3.744,5,0.43,0.77,1.0,0.40178877390172024,0.744817010485916,0.682149955451991,0.782545747378521,0.652825371804537
EOS-2-33872,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)n[nH]2)cc1,GPQDNTCNGZDNKO-UHFFFAOYSA-N,2,1,0.489,34,232,421.823,3.948,5,0.432,0.77,1.0,0.6666952230827222,0.5713539167980262,0.7942824343773559,0.8358320197381948,0.7170408984990748
EOS-2-33873,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)nc1F,ZWLPNSSBHVVNLG-UHFFFAOYSA-N,2,1,0.512,13,573,421.823,4.172,5,0.405,0.65,0.999,0.5852666027002947,0.6437872661229525,0.7059146048934275,0.7478497018710164,0.6707045438969228
EOS-2-33874,Fc1ccc(-n2ncnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,NRGXTPPJCYOZQH-UHFFFAOYSA-N,2,1,0.577,34,612,421.823,3.744,5,0.43,0.83,1.0,0.6849770406414913,0.8237183880474265,0.6163388390103488,0.732052292509081,0.7142716400520869
EOS-2-33875,Fc1ccc(-n2ncnc2COc2cncc3nnc(-c4cccc(Cl)c4)n23)cc1,ACKAIAFESQQGEW-UHFFFAOYSA-N,2,1,0.541,34,612,421.823,3.744,5,0.43,0.75,1.0,0.47865122335686383,0.6202881913508327,0.5945017476526626,0.7159721746281955,0.6023533342471387
EOS-2-33876,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4)n23)ccc1Cl,JHGSVNAIDCMLTG-UHFFFAOYSA-N,2,1,0.633,59,294,421.823,3.948,5,0.462,0.79,1.0,0.8639486669864985,0.8544822150640806,0.8029607292166404,0.8093773559043246,0.832692241792886
EOS-2-33877,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3cccnc3-c3ccco3)n12,QLSBKDMBDGAZRJ-UHFFFAOYSA-N,2,1,0.5,24,671,421.819,4.818,5,0.405,0.83,1.0,0.8787608799945171,0.7706976903570695,0.8011188403810569,0.8338787608799945,0.8211140429031595
EOS-2-33878,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cc4)n23)ccc1Cl,FQPZVJCFCXNSSI-UHFFFAOYSA-N,2,1,0.662,57,951,421.819,4.818,5,0.405,0.77,1.0,0.9626653416489617,0.9374785826879584,0.9234802275375231,0.9243369200191899,0.9369902679734083
EOS-2-33879,COc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,XQOOZBOLOMTQSG-UHFFFAOYSA-N,2,1,0.411,96,46,421.819,4.914,5,0.41,0.77,1.0,0.7863751627715715,0.7919950654513056,0.8856829552463847,0.8738177643752998,0.8344677369611404
EOS-2-33880,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccccc5Cl)n34)o2)c1,LNKCPZBXUCXKHJ-UHFFFAOYSA-N,2,1,0.556,57,461,421.819,4.818,5,0.405,0.85,1.0,0.8003735179220067,0.885700089096018,0.8090603796861079,0.8611044479473648,0.8390596086628743
EOS-2-33881,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cc5)no4)n23)cc1,LQKPGFDBDJXWCQ-UHFFFAOYSA-N,2,1,0.667,57,798,421.819,4.818,5,0.405,0.85,1.0,0.9733825645946131,0.9455571927900761,0.867469673086149,0.89986121581797,0.9215676615722019
EOS-2-33882,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3conc3-c3ccccc3)n12,VHCRQYBWLBKJEB-UHFFFAOYSA-N,2,1,0.573,57,709,421.819,4.818,5,0.405,0.72,1.0,0.8390274826948119,0.8750342676992666,0.8241895689123432,0.8659533273935988,0.851051161675005
EOS-2-33883,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccno5)c4)n23)cc1Cl,YTJDFBKMAHVBQY-UHFFFAOYSA-N,2,1,0.632,97,962,421.819,4.818,5,0.405,0.78,1.0,0.9414193681036255,0.8936758961003358,0.9242769515454733,0.9264101158248236,0.9214455828935646
EOS-2-33884,Fc1cccc(Cl)c1-c1nocc1COc1cncc2nnc(-c3ccccc3)n12,YVOUAUHLITZTGI-UHFFFAOYSA-N,2,1,0.564,57,709,421.819,4.818,5,0.405,0.8,1.0,0.8747515591803167,0.7789733397299705,0.8011274073058735,0.8527516962511137,0.8269010006168186
EOS-2-33885,COc1cc(F)ccc1-c1nnc2cncc(-c3ccc(-c4cocn4)c(Cl)c3)n12,MDSKRVGHMKJZSU-UHFFFAOYSA-N,2,1,0.373,96,46,421.819,4.914,5,0.41,0.77,1.0,0.7120056884380783,0.7028990473579604,0.9062521417312042,0.9046244260160373,0.8064453258858201
EOS-2-33886,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4cocn4)cc3)n12,XODZBOCDSWAXNK-UHFFFAOYSA-N,2,1,0.575,1,951,421.819,4.818,5,0.405,0.69,1.0,0.9656380645603454,0.9028682064286204,0.9195822767459393,0.9191196628058392,0.9268020526351861
EOS-2-33887,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3cccc(-c4ncco4)c3)n12,GKCBSKZYGCVYTN-UHFFFAOYSA-N,2,1,0.544,57,671,421.819,4.818,5,0.405,0.79,1.0,0.8527945308751971,0.8346240833390446,0.8601620862175313,0.8722842848331163,0.8549662463162223
EOS-2-33888,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)cc1Cl,XPXVTONNRRRKRO-UHFFFAOYSA-N,2,1,0.757,57,951,421.819,4.818,5,0.405,0.8,1.0,0.9737937769858132,0.9314474676170242,0.9120605167569049,0.904632992940854,0.930483688575149
EOS-2-33889,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4cocn4)cc3)n12,UFUCNHGOYDFGGK-UHFFFAOYSA-N,2,1,0.571,57,671,421.819,4.818,5,0.405,0.68,1.0,0.9356538277020081,0.8910715509560688,0.8889897882256186,0.9022685216914537,0.9044959221437874
EOS-2-33890,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5ccco5)n4)n23)ccc1Cl,WAMAJHQMEAVNES-UHFFFAOYSA-N,2,1,0.593,24,268,421.819,4.818,5,0.405,0.79,1.0,0.9034507573161538,0.9266671235693236,0.8526574600781304,0.8611130148721815,0.8859720889589473
EOS-2-33891,Fc1cccc(-c2ncccc2-c2nnc3cncc(OCc4ccc(Cl)o4)n23)c1,BZKWQRRWYLGZQN-UHFFFAOYSA-N,2,1,0.571,1,31,421.819,4.818,5,0.405,0.71,1.0,0.8390360496196285,0.8544907819888973,0.8297580700431773,0.8611215817969982,0.8461016208621752
EOS-2-33892,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)c1,FRSAXLPSXZYOFN-UHFFFAOYSA-N,2,1,0.623,57,798,421.819,4.818,5,0.405,0.81,1.0,0.9682338427797957,0.9467137276403262,0.8585258035775478,0.8960060996504695,0.9173698684120348
EOS-2-33893,Fc1cc(-c2ccco2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nc3)n12,DPKVPZBODCRGOE-UHFFFAOYSA-N,2,1,0.512,97,992,421.819,4.818,5,0.379,0.74,1.0,0.9222294565142897,0.844827290795696,0.8962631073949695,0.8986447124940031,0.8904911417997396
EOS-2-33894,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)nn3)n12,UCJPJGWJLCTCBC-UHFFFAOYSA-N,2,1,0.38,53,105,421.812,1.399,5,0.383,0.63,1.0,0.32318723870879307,0.43614214241655813,0.02271091768898636,0.04994517168117332,0.20799636762387771
EOS-2-33895,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cn1,XFIPWHHXIGVPRP-UHFFFAOYSA-N,2,1,0.441,36,728,421.812,1.399,5,0.409,0.68,1.0,0.3798146117469673,0.4753358234528134,0.03132924405455418,0.051161675005140156,0.23441033856486876
EOS-2-33896,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4cncc(Cl)n4)nc3)n12,TZXZJKQCBLJCJU-UHFFFAOYSA-N,2,1,0.407,92,185,421.812,1.399,5,0.409,0.65,1.0,0.40612363785895417,0.47534439037763004,0.02271948461380303,0.0420207662257556,0.2365520697690357
EOS-2-33897,Cn1nnc(-c2nncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,VYANEUDHXFNXJH-UHFFFAOYSA-N,2,1,0.556,36,404,421.812,1.399,5,0.409,0.66,1.0,0.5133301350147351,0.6928843122472758,0.018153313686519085,0.04859159756013981,0.31823983962716745
EOS-2-33898,Clc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ncno5)c4)n23)n1,RFKNLUBFEUPNGV-UHFFFAOYSA-N,2,1,0.415,65,858,421.808,2.301,5,0.376,0.63,1.0,0.4661520800493455,0.502604345144267,0.09773147830854637,0.13461208964430127,0.300274998286615
EOS-2-33899,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cn2)o1,DOKFHKFZGPJZSL-UHFFFAOYSA-N,2,1,0.44,53,617,421.808,2.567,5,0.39,0.69,1.0,0.4448290041806593,0.5578524432869577,0.11929442807209924,0.12825543143033377,0.31255782674251253
EOS-2-33900,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)nn1,ZUMAUYXKULNFCH-UHFFFAOYSA-N,2,1,0.404,53,602,421.808,2.301,5,0.402,0.7,0.998,0.5158402439860188,0.5343876362141046,0.09511856623946269,0.13030292646151737,0.3189123432252759
EOS-2-33901,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)o1,KTHAXRGQXXCCIU-UHFFFAOYSA-N,2,1,0.417,7,94,421.808,2.567,5,0.417,0.73,1.0,0.45450106229867726,0.5485830306353231,0.09290829963676239,0.10556164759098075,0.3003885100404359
EOS-2-33902,Cc1nnc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)o1,WDBRIURXBOJNGB-UHFFFAOYSA-N,2,1,0.409,53,785,421.808,2.567,5,0.417,0.67,0.996,0.4786597902816805,0.39926153108080326,0.14264786512233568,0.18116475909807417,0.3004334863957234
EOS-2-33903,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)o1,YWVFPMWQDRNXQJ-UHFFFAOYSA-N,2,1,0.426,51,924,421.808,2.567,5,0.417,0.66,1.0,0.5265489000068535,0.5485915975601399,0.07015454732369268,0.0839644301281612,0.3073148687547118
EOS-2-33904,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)n1,MOWYJPHCMHMWIV-UHFFFAOYSA-N,2,1,0.411,51,48,421.808,2.567,5,0.39,0.71,1.0,0.5133387019395518,0.5624014803646084,0.07016311424850935,0.08222534439037762,0.30703216023576174
EOS-2-33905,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)o1,LEIAVFVHURNLSO-UHFFFAOYSA-N,2,1,0.429,7,617,421.808,2.567,5,0.417,0.64,1.0,0.46842231512576243,0.5343962031389212,0.10013878418203002,0.1077547803440477,0.30267802069769034
EOS-2-33906,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)no1,ODCQSUSVKIHIMX-UHFFFAOYSA-N,2,1,0.433,7,94,421.808,2.567,5,0.417,0.7,1.0,0.4498063874991433,0.5668819820437255,0.08355321773696114,0.09927352477554657,0.2998787780138441
EOS-2-33907,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)nc1,SJKMIRANPVSSBM-UHFFFAOYSA-N,2,1,0.478,65,795,421.808,2.301,5,0.402,0.65,1.0,0.6335326571174011,0.6343036803509012,0.07445514358165993,0.10359125488314715,0.36147068398327736
EOS-2-33908,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)n1,RIVBQSMBPOTXFJ-UHFFFAOYSA-N,2,1,0.489,65,279,421.808,2.301,5,0.402,0.71,1.0,0.5366321705160716,0.6293776985813172,0.09067233225961209,0.12618223562470016,0.3457161092454253
EOS-2-33909,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)o1,YPQNBNOYJFXWDV-UHFFFAOYSA-N,2,1,0.404,55,617,421.808,2.567,5,0.39,0.71,1.0,0.4908676581454321,0.5578610102117744,0.07017168117332602,0.08397299705297787,0.3007183366458776
EOS-2-33910,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)nc2Cl)o1,UZNAEEFBDCRKGT-UHFFFAOYSA-N,2,1,0.396,7,94,421.808,2.567,5,0.39,0.66,1.0,0.4082225344390378,0.4624426016037283,0.08104310876567747,0.09520423548762937,0.26172812007401824
EOS-2-33911,Oc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cocn1,LSBKCLOZFDMBBL-UHFFFAOYSA-N,2,1,0.467,4,401,421.804,3.174,5,0.455,0.56,1.0,0.6028030978000137,0.6732060859433897,0.4417706120211089,0.42494517168117335,0.5356812418614214
EOS-2-33912,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)ccc1-c1nnco1,QBKYNMASDHACLW-UHFFFAOYSA-N,2,1,0.438,72,374,421.804,3.691,5,0.392,0.78,1.0,0.7804982523473374,0.6157905558220821,0.5389966417654719,0.45652285655541086,0.5979520766225755
EOS-2-33913,Oc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1nnco1,LNDDPGGEDAPHGM-UHFFFAOYSA-N,2,1,0.494,72,31,421.804,3.174,5,0.426,0.59,1.0,0.6138544308135152,0.5918631348091289,0.44177917894592555,0.4282605715852238,0.5189393290384484
EOS-2-33914,Fc1cnc(F)c(-c2cnncc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,JFEAAMJXHXTILT-UHFFFAOYSA-N,2,1,0.437,45,575,421.798,4.242,5,0.405,0.68,1.0,0.444837571105476,0.707653690631211,0.9148876019464053,0.9441265163456926,0.7528763450071962
EOS-2-33915,Fc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(Cl)nc5)n34)cc2)c(F)cn1,WYHUZTDJKACQOZ-UHFFFAOYSA-N,2,1,0.312,96,478,421.798,4.242,5,0.32,0.76,1.0,0.34283976423822904,0.5767596463573436,0.8985162086217532,0.9211928586114728,0.6848271194571997
EOS-2-33916,Fc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c(F)c1,BNVUZFFOXXRTIU-UHFFFAOYSA-N,2,1,0.448,45,730,421.798,4.242,5,0.433,0.83,1.0,0.43322082105407445,0.7955760400246727,0.8412548831471455,0.9232403536426564,0.7483230244671373
EOS-2-33917,Fc1ccccc1-c1nnc2cncc(-c3cncc(-c4cnc(F)c(Cl)c4)n3)n12,MGNHRIMDMSVGQV-UHFFFAOYSA-N,2,1,0.451,45,575,421.798,4.242,5,0.405,0.61,0.997,0.2978462751010897,0.5436827496401891,0.8541309711465972,0.9058152285655541,0.6503688061133575
EOS-2-33918,Fc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1F,QDQIMWXLVKRUMQ-UHFFFAOYSA-N,2,1,0.435,45,102,421.798,4.242,5,0.433,0.75,1.0,0.4473476800767596,0.8119217325748749,0.8617384003837982,0.9295027756836406,0.7626276471797683
EOS-2-33919,Fc1cc(-c2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ccn4)n23)cnn1,OFZHZHHHJGWPER-UHFFFAOYSA-N,2,1,0.304,45,575,421.798,4.242,5,0.433,0.72,1.0,0.2755551367281201,0.4224950311836063,0.9062607086560208,0.9391919676512919,0.6358757110547597
EOS-2-33920,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)nn1,GELKFCPFZKFFOR-UHFFFAOYSA-N,2,1,0.368,45,102,421.798,4.242,5,0.433,0.74,1.0,0.4427558083750257,0.735401960112398,0.8781012267836338,0.9134654924268385,0.7424311219244739
EOS-2-33921,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)nc1,QVSVRPPEOUFINT-UHFFFAOYSA-N,2,1,0.391,45,575,421.798,4.242,5,0.433,0.79,1.0,0.379823178671784,0.6781406346377904,0.8203430196696594,0.8807398396271674,0.6897616681516003
EOS-2-33922,Fc1ccc(-c2nnc3cncc(-c4ncc(-c5ccnc(Cl)n5)cc4F)n23)cc1,WMDALVLBAFCIFT-UHFFFAOYSA-N,2,1,0.411,45,575,421.798,4.242,5,0.405,0.77,1.0,0.3705366321705161,0.6732146528682065,0.8314800219313275,0.8821276814474677,0.6893397471043794
EOS-2-33923,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c(F)c1,XFGKJXHQUNMRIU-UHFFFAOYSA-N,2,1,0.455,45,730,421.798,4.242,5,0.433,0.81,1.0,0.44981495442395997,0.8159310533890755,0.8511239805359468,0.9232489205674731,0.7600297272291138
EOS-2-33924,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)cn4)n23)c(F)c1,VUUFFKVMICPTHY-UHFFFAOYSA-N,2,1,0.367,45,140,421.798,4.242,5,0.405,0.73,1.0,0.35907408676581454,0.6437958330477692,0.8556901514632308,0.8917569049414023,0.6875792440545542
EOS-2-33925,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nc2)nn1,RMJOCLABTKBRSW-UHFFFAOYSA-N,2,1,0.373,45,140,421.798,4.242,5,0.433,0.75,1.0,0.3910629840312521,0.6540761428277705,0.8808426427249675,0.9147847988486053,0.7101916421081489
EOS-2-33926,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cc1,RGPLLHVEOVLUOG-UHFFFAOYSA-N,2,1,0.433,45,730,421.798,4.242,5,0.433,0.81,1.0,0.42198958261942293,0.8043485710369406,0.84944486327188,0.9212014255362895,0.7492461106161332
EOS-2-33927,Fc1ccc(F)c(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,GYCYWAKHWLUDGU-UHFFFAOYSA-N,2,1,0.441,45,730,421.798,4.242,5,0.433,0.83,1.0,0.4150675073675553,0.8043571379617572,0.8494534301966966,0.9232574874922898,0.7480338907545747
EOS-2-33928,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)cn1,TUFNXHVIHTZIRG-UHFFFAOYSA-N,2,1,0.395,45,575,421.798,4.242,5,0.405,0.81,1.0,0.38672812007401824,0.7213607703378795,0.8674782400109656,0.9079655266945378,0.7208831642793503
EOS-2-33929,Fc1cc(-c2nnc3cncc(-c4cnc(-c5cccnc5F)cn4)n23)ccc1Cl,BXERRKFEOCJQLN-UHFFFAOYSA-N,2,1,0.397,45,575,421.798,4.242,5,0.405,0.68,1.0,0.3910715509560688,0.7076622575560277,0.8808512096497841,0.914793365773422,0.7235945959838257
EOS-2-33930,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)cn1,WUMDLGMTDHQRSK-UHFFFAOYSA-N,2,1,0.407,45,575,421.798,4.242,5,0.433,0.76,1.0,0.36132718799259816,0.7076708244808444,0.8660389966417654,0.9046415598656706,0.7099196422452196
EOS-2-33931,Fc1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(Cl)nc5)nc4)n23)c(F)c1,LDHRPONWLLGRCN-UHFFFAOYSA-N,2,1,0.395,45,575,421.798,4.242,5,0.405,0.8,1.0,0.3889469536015352,0.678149201562607,0.8660475635665822,0.9079740936193544,0.7102794530875197
EOS-2-33932,Fc1cncc(Oc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nn4)n23)c1,YYPZRYPXSNPWGZ-UHFFFAOYSA-N,2,1,0.348,54,411,421.783,3.018,5,0.403,0.73,0.998,0.7092214378726612,0.702907614282777,0.43044513741347407,0.48444246453293127,0.5817541635254609
EOS-2-33933,COc1ccc(F)c(F)c1-c1nnc2cncc(OCc3cc(Cl)cnc3F)n12,DEQCPUADTTZHLS-UHFFFAOYSA-N,2,1,0.506,90,255,421.766,3.845,4,0.456,0.73,1.0,0.9236515660338565,0.8829244054554177,0.9437238708793092,0.9274638475772736,0.9194409224864643
EOS-2-33934,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ncccc4Cl)n23)cc1,GTDUTWMRIIJKHB-UHFFFAOYSA-N,2,1,0.649,48,305,421.766,4.317,4,0.478,0.82,1.0,0.9661777808237955,0.9721146597217463,0.9841854567884313,0.9724916044136797,0.9737423754369132
EOS-2-33935,Fc1cc(-c2nnc3cncc(OCc4ccc(OC(F)F)cn4)n23)ccc1Cl,VEIDUSAMMPYVPN-UHFFFAOYSA-N,2,1,0.654,90,255,421.766,4.159,4,0.465,0.77,1.0,0.9687221574943459,0.9867384003837982,0.9763809882804468,0.9716006442327462,0.9758605475978342
EOS-2-33936,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(OC(F)F)cn3)n12,GEAGJQPWNWBDGC-UHFFFAOYSA-N,2,1,0.636,90,255,421.766,4.159,4,0.465,0.75,1.0,0.8767562195874169,0.9540898499074772,0.9638133095743951,0.9607463504900281,0.9388514323898293
EOS-2-33937,Fc1ccc(-c2nnc3cncc(OCc4ccc(OC(F)F)cn4)n23)c(Cl)c1,AKBBGGXJWUPIRS-UHFFFAOYSA-N,2,1,0.612,90,255,421.766,4.159,4,0.465,0.74,1.0,0.9141422794873553,0.9726286752107464,0.9707096840518128,0.967377150298129,0.9562144472620109
EOS-2-33938,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,JFWILOULTJHWST-UHFFFAOYSA-N,2,1,0.649,48,305,421.766,4.317,4,0.478,0.8,1.0,0.9564971557809608,0.980090466726064,0.987312384346515,0.9765780275512302,0.9751195086011925
EOS-2-33939,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(OC(F)F)cn3)n12,UMURTJWVCOLTPH-UHFFFAOYSA-N,2,1,0.612,90,255,421.766,4.159,4,0.465,0.68,1.0,0.9356623946268248,0.9800990336508807,0.9707182509766294,0.9673857172229456,0.9634663491193202
EOS-2-33940,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1Br,CVFJVNNKTATLNO-UHFFFAOYSA-N,2,1,0.494,46,267,478.285,4.124,5,0.375,0.74,1.0,0.5996590363922967,0.629386265506134,0.6337296963881845,0.6214018915769995,0.6210442224659036
EOS-2-33941,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5Br)n34)nn2)c1,AUXKOFCVGVJFTK-UHFFFAOYSA-N,2,1,0.443,54,691,478.285,4.124,5,0.375,0.77,0.994,0.6938266739771092,0.6585652114317044,0.6629943115619217,0.7047752038928107,0.6800403502158865
EOS-2-33942,Fc1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)ccc1-c1cncnc1,LQLPUNNDCNOQKS-UHFFFAOYSA-N,2,1,0.588,4,817,478.285,4.124,5,0.375,0.66,1.0,0.7336885751490645,0.7707062572818861,0.7771228839695703,0.7581814131999177,0.7599247824001097
EOS-2-33943,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccnn5)n34)ccn2)c(Br)c1,PRDGKRDNMRGSID-UHFFFAOYSA-N,2,1,0.548,4,799,478.285,4.124,5,0.375,0.74,1.0,0.6168442875745322,0.7213693372626961,0.6873415118908917,0.69942944280721,0.6812461448838325
EOS-2-33944,Fc1ncccc1-c1ncc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)cn1,HOYPCMFSVBENNV-UHFFFAOYSA-N,2,1,0.623,97,232,478.285,4.124,5,0.351,0.74,1.0,0.9573281474881776,0.9156329244054554,0.6250428346240834,0.6214104585018162,0.7798535912548831
EOS-2-33945,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)cn2)c1,KOPRDYQSOXJXCH-UHFFFAOYSA-N,2,1,0.549,73,401,478.285,4.124,5,0.375,0.72,1.0,0.8085720649715578,0.8694314988691659,0.6846257967240079,0.6939808786238092,0.7641525597971353
EOS-2-33946,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)ccc1Br,XSERMPSEVFXWAP-UHFFFAOYSA-N,2,1,0.554,73,401,478.285,4.124,5,0.375,0.81,1.0,0.7946936467685559,0.8448358577205126,0.7059231718182442,0.6939894455486258,0.7598605304639846
EOS-2-33947,Fc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)n2)ccn1,KRWBVRBGAHZLKM-UHFFFAOYSA-N,2,1,0.549,97,335,478.285,4.124,5,0.351,0.67,1.0,0.8727897333972997,0.8910801178808855,0.627835652114317,0.6330015077787677,0.7561767527928175
EOS-2-33948,Fc1cnc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1-c1cnccn1,RIBQCQLUADZBPF-UHFFFAOYSA-N,2,1,0.556,73,540,478.285,4.124,5,0.375,0.65,1.0,0.8661760674388321,0.8694400657939826,0.7189191967651292,0.7133935302583785,0.7919822150640806
EOS-2-33949,CC#Cc1cc(-c2nnc3cncc(OCc4noc(-c5cncc(Cl)c5)n4)n23)ccc1Cl,CFZQYFIVUXIEIB-UHFFFAOYSA-N,2,1,0.447,73,756,478.299,4.494,5,0.341,0.67,1.0,0.6222757179082996,0.6732232197930231,0.6401034884517853,0.6880868343499418,0.6559223151257625
EOS-2-33950,FC(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)cc1Br,SKNPTHNLOKYTGI-UHFFFAOYSA-N,2,1,0.346,96,558,478.3,6.22,5,0.308,0.84,1.0,0.3659704612432321,0.5208604619285861,0.9757213350695634,0.9721317935713796,0.7086710129531903
EOS-2-33951,N#CCCn1cnnc1-c1cncc(-c2nnc3cncc(Oc4ccc(Cl)cc4Cl)n23)c1,PYVARMAMUCZBOG-UHFFFAOYSA-N,2,1,0.415,13,995,478.303,4.458,5,0.351,0.72,1.0,0.41966794599410595,0.4578935645260777,0.5254094990062367,0.6734459598382565,0.5191042423411693
EOS-2-33952,Cc1noc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5Br)n34)c2)n1,YNWYMKXNYKPPPI-UHFFFAOYSA-N,2,1,0.545,35,161,478.31,3.929,5,0.362,0.68,1.0,0.6364539784798848,0.5389366732917552,0.305033925022274,0.2739274210129532,0.4385879994517168
EOS-2-33953,Cn1nc(-c2nncn2C2CC2)cc1Oc1cncc2nnc(-c3ccc(Br)cc3)n12,SHRVYDXFWGIDOM-UHFFFAOYSA-N,2,1,0.463,36,292,478.314,3.673,6,0.38,0.68,0.999,0.5211003358234528,0.6011411143855802,0.03926221643478857,0.12177026934411624,0.3208184839969845
EOS-2-33954,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5Br)n34)cn2)n1,ODMWSBSDJXZAKQ-UHFFFAOYSA-N,2,1,0.5,87,779,478.314,2.761,5,0.367,0.68,1.0,0.5366407374408882,0.5668905489685423,0.08105167569049414,0.08398156397779453,0.31714113151942985
EOS-2-33955,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Br)c5)n34)cn2)n(C)n1,PVJOPLXPOSEIHA-UHFFFAOYSA-N,2,1,0.461,55,45,478.314,3.027,5,0.379,0.72,1.0,0.47368240696319647,0.43154170379000756,0.10545027756836406,0.09928209170036324,0.2774891200054828
EOS-2-33956,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Br)nc4)n23)nc1,BNFGFTKVRPRHEO-UHFFFAOYSA-N,2,1,0.451,31,773,478.314,2.761,5,0.343,0.66,1.0,0.4567370296758276,0.4269155643890069,0.19707353848262626,0.17829483928449044,0.31475524295798785
EOS-2-33957,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Br)c5)n34)ncn2)n1,ATTZVBVPLSSDAS-UHFFFAOYSA-N,2,1,0.411,31,194,478.314,2.761,5,0.367,0.54,0.985,0.452239394147077,0.3021383044342403,0.17410561304913988,0.15943903776300458,0.27198058734836544
EOS-2-33958,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(Cl)c1,ABUDMNHAUDOZLE-UHFFFAOYSA-N,2,1,0.658,90,400,421.675,4.163,4,0.481,0.7,1.0,0.8747601261051333,0.9499091905969433,0.6928843122472758,0.8577890480433144,0.8438356692481668
EOS-2-33959,Cc1ccc(-c2nn(C)c(C)c2-c2cncc3nnc(-c4ccc(F)c(Br)c4)n23)cn1,XTPDALSKPVMNPL-UHFFFAOYSA-N,2,1,0.367,22,844,478.329,4.772,5,0.374,0.66,1.0,0.18025666506750737,0.3657562881228154,0.5657768487423754,0.5661880611335754,0.41949446576656846
EOS-2-33960,Oc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(Cl)c4)n23)cc1Cl,XANWTLKEXXBRNH-UHFFFAOYSA-N,2,1,0.754,23,17,421.671,5.036,4,0.5,0.83,1.0,0.9831231581111645,0.9731855253238297,0.9763895552052635,0.987543691316565,0.9800604824892057
EOS-2-33961,Clc1ccc(COc2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)cc1,QOCPDKUMSGVGJP-UHFFFAOYSA-N,2,1,0.711,57,397,478.339,5.651,5,0.301,0.83,1.0,0.9672143787266123,0.9096103762593379,0.9375556850113084,0.940117195531492,0.9386244088821876
EOS-2-33962,Clc1ccc(COc2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2)cc1,FSVXHKYDQKPFRC-UHFFFAOYSA-N,2,1,0.671,1,397,478.339,5.651,5,0.301,0.76,1.0,0.8917397710917689,0.8936844630251525,0.9260588719073402,0.9315674045644575,0.9107626276471799
EOS-2-33963,COc1cccnc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)n12,YTEJZPQKBSOXMZ-UHFFFAOYSA-N,2,1,0.566,57,80,478.339,5.748,5,0.31,0.83,1.0,0.8845092865465013,0.8883644027140017,0.9041703790007539,0.8972911383729696,0.8935838016585567
EOS-2-33964,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)cc4)n23)ccc1Cl,OMAOMEHCLPZDLO-UHFFFAOYSA-N,2,1,0.561,1,326,478.339,5.748,5,0.29,0.86,1.0,0.9632907271605784,0.9389777945308752,0.9442978548420259,0.9357394969501748,0.9455764683709135
EOS-2-33965,Cn1cc(Cl)cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1=O,ZZJHLRSKSCMLJP-UHFFFAOYSA-N,2,1,0.649,57,326,478.339,5.043,5,0.354,0.78,1.0,0.9249366047563566,0.8637601946405319,0.8937358645740525,0.9201391268590227,0.9006429477074909
EOS-2-33966,Oc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccc(Cl)c5)c4)n23)cc1Cl,ZHJPEDPMZDTGTM-UHFFFAOYSA-N,2,1,0.628,11,732,478.339,5.487,5,0.348,0.74,1.0,0.87476869302995,0.8663217051607155,0.9051898430539373,0.9252964155986567,0.8928941642108149
EOS-2-33967,OCc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ccc(Cl)cc1,YPCSVPFMZJYXKP-UHFFFAOYSA-N,2,1,0.56,57,461,478.339,5.231,5,0.36,0.72,1.0,0.8085806318963745,0.8803457610856007,0.9342231512576246,0.9456942635871428,0.8922109519566856
EOS-2-33968,Clc1ccc(-c2nnc3cncc(OCc4cccc(OCc5ccccc5Cl)c4)n23)cn1,PFIVWYMRCBFYMP-UHFFFAOYSA-N,2,1,0.536,1,709,478.339,5.651,5,0.282,0.82,1.0,0.9197022136933726,0.9477417586183263,0.9326040024672744,0.9366475909807416,0.9341738914399287
EOS-2-33969,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccc(Cl)cc1,QBCRFXJOAJXUJO-UHFFFAOYSA-N,2,1,0.548,57,275,478.339,5.487,5,0.348,0.69,1.0,0.9236601329586731,0.9467222945651429,0.8781097937084504,0.9079826605441711,0.9141187204441094
EOS-2-33970,Clc1cc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)c(Cl)c4)n23)ccn1,WOEUVYLYXGFOMT-UHFFFAOYSA-N,2,1,0.593,79,881,478.339,5.907,5,0.271,0.75,1.0,0.9249451716811733,0.9346086628743746,0.890112055376602,0.9046501267904873,0.9135790041806592
EOS-2-33971,COc1cc(-c2nnc3cncc(OCc4c(Cl)ccnc4-c4ccccc4)n23)ccc1Cl,OIDOEICNFUSVHC-UHFFFAOYSA-N,2,1,0.5,1,709,478.339,5.748,5,0.31,0.76,1.0,0.9550407785621273,0.9230261805222397,0.884415050373518,0.8931190459872524,0.9139002638612843
EOS-2-33972,Cc1cc(Cl)nc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)n1,AHPZRCBSHLDHOT-UHFFFAOYSA-N,2,1,0.616,84,73,478.343,4.88,5,0.321,0.74,1.0,0.8505671304228634,0.9115465012679048,0.5726389555205263,0.6389383866767185,0.7434227434720033
EOS-2-33973,Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c(Cl)n1,HVQPCFGJPPZKLC-UHFFFAOYSA-N,2,1,0.426,18,157,478.343,4.88,5,0.321,0.65,1.0,0.6968422315125763,0.7307329860873141,0.6682372695497224,0.7106778150914947,0.7016225755602769
EOS-2-33974,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ccc(Cl)cc1,CFKGYDIQQUVENB-UHFFFAOYSA-N,2,1,0.404,4,717,478.343,5.092,5,0.336,0.7,1.0,0.5739668288671098,0.6684428757453225,0.5423291755191556,0.6330100747035844,0.6044372387087931
EOS-2-33975,Clc1cc(-c2cc(-c3nnc4cncc(OCCCc5cccc(Cl)n5)n34)ccn2)ccn1,PTZQEKZSTNBWBW-UHFFFAOYSA-N,2,1,0.442,11,278,478.343,4.962,5,0.241,0.69,1.0,0.7426924131313823,0.740199438009732,0.5589832773627579,0.6588222191762045,0.6751743369200193
EOS-2-33976,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)ccn2)cn1,OYRQLBSWPLVMGL-UHFFFAOYSA-N,2,1,0.675,75,360,478.343,4.88,5,0.344,0.7,1.0,0.8482112260982798,0.7955846069494894,0.7266636967993969,0.7452110890274827,0.7789176547186623
EOS-2-33977,CCc1ncncc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4Cl)n23)ccn1,XIAFDMVTLLZYOF-UHFFFAOYSA-N,2,1,0.468,59,577,478.343,5.092,5,0.336,0.63,1.0,0.6168528544993489,0.6585737783565211,0.7135134672058118,0.7503255431430333,0.6848164108011787
EOS-2-33978,Cc1ncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(-c2ccc(Cl)cc2)n1,UHQMTXLJAYBYLI-UHFFFAOYSA-N,2,1,0.489,11,639,478.343,4.88,5,0.321,0.7,1.0,0.8570951271331643,0.8721215132615996,0.5189586046192859,0.6270474950311836,0.7188056850113084
EOS-2-33979,Cc1ccc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)cc3)n12,IODLPZKKPRPGKS-UHFFFAOYSA-N,2,1,0.542,15,300,478.343,4.88,5,0.321,0.62,1.0,0.9495750805290932,0.8961517373723529,0.5219655952299362,0.5756031115070934,0.7358238811596189
EOS-2-33980,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)cn1,PCRIYSMARWKUEQ-UHFFFAOYSA-N,2,1,0.517,84,749,478.343,4.88,5,0.344,0.71,1.0,0.7918665615790556,0.8081437187307244,0.6846343636488246,0.7427352477554657,0.7568449729285176
EOS-2-33981,CCc1ncncc1-c1cc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)ccn1,OHVMHBRAHJSXLU-UHFFFAOYSA-N,2,1,0.473,59,332,478.343,5.092,5,0.336,0.57,1.0,0.5996676033171133,0.6540847097525873,0.6846429305736413,0.7374837228428484,0.6689697416215475
EOS-2-33982,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,QRBMPMZCAFCTPG-UHFFFAOYSA-N,2,1,0.517,44,531,478.343,4.88,5,0.321,0.76,1.0,0.8215252552943595,0.8237269549722431,0.6221900486601329,0.6994380097320266,0.7417200671646905
EOS-2-33983,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cc(Cl)c5)n34)ccn2)cn1,IEAXHWOXLFLEQM-UHFFFAOYSA-N,2,1,0.59,75,524,478.343,4.88,5,0.344,0.66,1.0,0.712014255362895,0.7618566239462683,0.6928928791720924,0.7265780275512302,0.7233354465081214
EOS-2-33984,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)n1,OKPKJVGWKISCIS-UHFFFAOYSA-N,2,1,0.448,44,531,478.343,4.88,5,0.344,0.76,0.997,0.7457079706668495,0.7448255774107326,0.5559248852032075,0.6647590980741553,0.6778043828387361
EOS-2-33985,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)n1,NKJLJPYJKGCDHD-UHFFFAOYSA-N,2,1,0.495,44,531,478.343,4.88,5,0.344,0.77,1.0,0.8160338564868754,0.7707148242067028,0.6043451442670139,0.7022393941470769,0.7233333047769173
EOS-2-33986,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cscc5Cl)s4)n23)ccc1Cl,KDXYUYKYTQXJJB-UHFFFAOYSA-N,2,1,0.562,73,71,478.361,6.001,5,0.31,0.73,1.0,0.8085891988211912,0.8936930299499691,0.8460437941196628,0.9068432595435543,0.8637923206085942
EOS-2-33987,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1ncc(Cl)s1,BEMLQTRHDGYQHR-UHFFFAOYSA-N,2,1,0.421,95,477,478.39,4.638,5,0.354,0.58,0.999,0.45224796107189363,0.34150332396682886,0.15185730930025357,0.27393598793776985,0.3048861455691865
EOS-2-33988,COc1nc(F)ccc1CCOc1cncc2nnc(-c3ccnc(-c4ncc(F)c(=O)[nH]4)c3)n12,PAFMZRKFCPUPMM-UHFFFAOYSA-N,2,1,0.48,75,239,478.419,2.24,5,0.35,0.55,0.965,0.582216777465561,0.3415118908916455,0.32329860873140975,0.2652491261736687,0.37806910081557127
EOS-2-33989,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(Oc5ccccc5)c4)n23)cc1,CHAHCLSTDWYJHH-UHFFFAOYSA-N,2,1,0.68,17,590,478.43,6.061,5,0.283,0.82,1.0,0.9849479130971147,0.9624169008292783,0.9890514700842985,0.972894249880063,0.9773276334726887
EOS-2-33990,COc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)cc1F,NLANFHXJJLYBBD-UHFFFAOYSA-N,2,1,0.746,79,528,478.43,6.0,5,0.286,0.79,1.0,0.9676769926667124,0.9748132410389967,0.9862586525940649,0.9716092111575629,0.9750895243643342
EOS-2-33991,FC(F)(F)Oc1ccccc1COc1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)n12,OMOSSGHTULDXLB-UHFFFAOYSA-N,2,1,0.636,17,590,478.43,6.061,5,0.283,0.77,1.0,0.9794051127407306,0.9314560345418409,0.9870982112260983,0.9673942841477623,0.9663384106641081
EOS-2-33992,Oc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5C(F)(F)F)cc4)n23)cc1,HMSOIQFSVVVWSM-UHFFFAOYSA-N,2,1,0.598,79,590,478.43,5.887,5,0.328,0.78,1.0,0.9818209855390309,0.9361078747172915,0.9915101775066822,0.9736824069631965,0.9707803611815503
EOS-2-33993,COc1nc(-c2nnc3cncc(OCCc4cc(F)c(F)cc4F)n23)ccc1-c1ccccn1,PRRADUCUIQLSHL-UHFFFAOYSA-N,2,1,0.468,49,703,478.434,4.296,5,0.323,0.71,0.994,0.8881245288191351,0.77475841272017,0.815065793982592,0.75033411006785,0.8070707113974368
EOS-2-33994,COc1nc(-c2nnc3cncc(OCCc4c(F)cc(F)cc4F)n23)ccc1-c1ccccn1,FMPLBWKJIRWMRF-UHFFFAOYSA-N,2,1,0.489,49,703,478.434,4.296,5,0.345,0.66,1.0,0.8682920978685491,0.7534867384003838,0.7747070111712699,0.7186621890206292,0.7787870091152079
EOS-2-33995,FC(F)(F)Oc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,JBUSIEGZHUSLCM-UHFFFAOYSA-N,2,1,0.662,1,640,478.434,4.768,5,0.333,0.75,1.0,0.9687307244191625,0.9657751353574121,0.9672315125762456,0.9212099924611061,0.9557368412034817
EOS-2-33996,COc1ccc(OC(F)(F)F)cc1-c1cncc2nnc(-c3ccc(-c4cncc(C)n4)cc3)n12,MOWVJJQSIRAUDL-UHFFFAOYSA-N,2,1,0.405,96,697,478.434,5.131,5,0.346,0.79,1.0,0.642305188129669,0.6438043999725859,0.9672400795010623,0.9022770886162703,0.7889066890548968
EOS-2-33997,COc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)nn1,XQNXPRYMQNNLQQ-UHFFFAOYSA-N,2,1,0.554,1,138,478.434,4.855,5,0.345,0.75,1.0,0.9620228222877116,0.8883729696388184,0.9718062504283462,0.9134740593516552,0.9339190254266327
EOS-2-33998,FC(F)(F)Oc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)nc1,AYMSNIUXKSGVHP-UHFFFAOYSA-N,2,1,0.541,11,201,478.434,4.768,5,0.333,0.78,1.0,0.8935388253032691,0.9193081351518059,0.9554691248029608,0.9046586937153039,0.9182436947433349
EOS-2-33999,Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)c2)nn1,QXFZRPZJQCIPHR-UHFFFAOYSA-N,2,1,0.602,1,431,478.434,5.034,5,0.338,0.79,1.0,0.9155301213076554,0.8983534370502364,0.9655952299362621,0.9148019326982386,0.9235701802480982
EOS-2-34000,FC(F)(F)Oc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)cn3)n12,FGDIUSRRFXYFJD-UHFFFAOYSA-N,2,1,0.531,11,529,478.434,4.768,5,0.333,0.74,1.0,0.8861884038105682,0.8346326502638612,0.9483928449043931,0.8960146665752862,0.8913071413885272
EOS-2-34001,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccc1-c1cccnn1,JNUXIIAZTRUHIZ-UHFFFAOYSA-N,2,1,0.744,91,640,478.434,4.61,5,0.322,0.77,1.0,0.9820951271331643,0.9913559728599822,0.9389949283805086,0.9124888629977383,0.9562337228428484
EOS-2-34002,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)ccc1-c1ncccc1F,YCECTJMEXMKKFI-UHFFFAOYSA-N,2,1,0.489,49,703,478.434,4.296,5,0.345,0.77,1.0,0.8594081968336645,0.7707233911315194,0.7817404564457542,0.7400366664382153,0.7879771777122884
EOS-2-34003,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)ccc2F)cc1=O,BROFHQGYKFBGGX-UHFFFAOYSA-N,2,1,0.581,88,70,478.434,3.591,5,0.371,0.7,1.0,0.7307501199369474,0.7354105270372148,0.8767990542115003,0.8692601603728326,0.8030549653896237
EOS-2-34004,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)c(F)c2)cc1=O,PJQDWBVWUFHGPX-UHFFFAOYSA-N,2,1,0.527,88,70,478.434,3.591,5,0.371,0.71,1.0,0.6542560482489206,0.6928928791720924,0.8660561304913988,0.8611301487218148,0.7685838016585567
EOS-2-34005,COc1nc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1-c1ccc(F)cc1,PIOXPHJAJXHAPC-UHFFFAOYSA-N,2,1,0.442,88,275,478.434,4.296,5,0.345,0.7,0.999,0.8160424234116921,0.7666284010691522,0.8048625865259407,0.7632615996162018,0.7876987526557466
EOS-2-34006,Cc1nc(=N)nc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)ccc2F)[nH]1,HKDFVPZONJHQDK-UHFFFAOYSA-N,2,1,0.549,88,70,478.438,3.403,5,0.386,0.68,1.0,0.8861969707353848,0.8159396203138921,0.7471472140360497,0.7106863820163114,0.7899925467754095
EOS-2-34007,CCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)c5)n34)ccn2)cn1,JCCLLFLRQSWZJC-UHFFFAOYSA-N,2,1,0.461,75,99,478.438,4.199,5,0.358,0.63,1.0,0.6279727229113837,0.6540932766774039,0.8412634500719621,0.6447124940031527,0.6920104859159756
EOS-2-34008,c1nc(-n2ncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)n2nccc2n1,OIAAHVVVVGNCEQ-UHFFFAOYSA-N,2,1,0.374,56,425,478.44,1.174,7,0.364,0.58,1.0,0.2599204989377013,0.21001816188061134,0.016491330272085533,0.018273250633952437,0.12617581043108766
EOS-2-34009,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)cc1,YEYMHVJGRJZEKZ-UHFFFAOYSA-N,2,1,0.794,79,497,478.449,6.238,5,0.271,0.82,1.0,0.9954937975464327,0.995305325200466,0.9965646631485162,0.9949797820574326,0.9955858919882119
EOS-2-34010,Fc1cc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)ccc1-c1ccccc1,GVHSPPUUCHVOCI-UHFFFAOYSA-N,2,1,0.72,79,650,478.449,6.238,5,0.271,0.78,1.0,0.992341169213899,0.9934634363648824,0.9957251045164828,0.9937033102597491,0.9938082550887534
EOS-2-34011,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)nn4)n23)ncc1-c1cncnc1,YXXQQYLJBBZMGW-UHFFFAOYSA-N,2,1,0.427,6,280,478.451,3.213,6,0.352,0.68,0.922,0.5912120485230622,0.48402268521691455,0.3568980878623809,0.3547477897333973,0.44672015283393873
EOS-2-34012,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cccnn6)n5)n34)cn2)cn1,KWCVMZSPPPIWRO-UHFFFAOYSA-N,2,1,0.38,6,297,478.451,3.213,6,0.329,0.66,0.997,0.6605698718388048,0.6634826262764718,0.319760468782126,0.30433143718730726,0.48703610102117745
EOS-2-34013,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccnnc6)cn5)n34)nc2)cn1,RLNSHQQIDLIWQH-UHFFFAOYSA-N,2,1,0.381,6,280,478.451,3.213,6,0.329,0.64,1.0,0.5240045233363032,0.4840312521417312,0.45605167569049415,0.41235179220067164,0.4691098108423001
EOS-2-34014,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nn5)n34)nn2)c1,RMWXHCFHORGALC-UHFFFAOYSA-N,2,1,0.432,81,826,478.451,3.213,6,0.352,0.71,0.935,0.5109656637653348,0.5160372832568021,0.3569066547871976,0.38382393256116787,0.4419333835926256
EOS-2-34015,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cn1,ICXXXSSIWDAXRX-UHFFFAOYSA-N,2,1,0.43,80,147,478.451,3.213,6,0.352,0.61,1.0,0.7365584949626482,0.761865190871085,0.32330717565622646,0.29794051127407306,0.5299178431910082
EOS-2-34016,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cn2)cn1,FUCUHIDXHCGCDR-UHFFFAOYSA-N,2,1,0.398,6,843,478.451,3.213,6,0.329,0.68,1.0,0.5712168460009595,0.5871770269344116,0.37192447399081624,0.3517150983482969,0.47050836131862106
EOS-2-34017,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nc1-c1cncnc1,OMAOBFSFKPJWLO-UHFFFAOYSA-N,2,1,0.438,6,280,478.451,3.213,6,0.352,0.65,0.908,0.5008909601809335,0.4933692001918991,0.3494277294222466,0.3451956685628127,0.422220889589473
EOS-2-34018,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)nc1,GMVJUVWFHBCSIM-UHFFFAOYSA-N,2,1,0.424,80,277,478.451,3.213,6,0.352,0.58,1.0,0.6138629977383319,0.6293948324309506,0.3416061270646289,0.3197262010828593,0.47614753957919265
EOS-2-34019,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)nc1,CGMFGIJUBHDZAD-UHFFFAOYSA-N,2,1,0.456,80,355,478.451,3.213,6,0.352,0.57,1.0,0.6909396203138921,0.6880354328010417,0.3012901788773902,0.29173805770680555,0.4930008224247824
EOS-2-34020,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)ccc1-c1cnccn1,QYQVYHZGDSSWKK-UHFFFAOYSA-N,2,1,0.455,80,621,478.451,3.213,6,0.352,0.67,1.0,0.8215338222191763,0.7354190939620314,0.4734425330683298,0.43461722979919126,0.6162531697621823
EOS-2-34021,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1-c1cncnc1,WYJJDVYFMNWENN-UHFFFAOYSA-N,2,1,0.447,80,277,478.451,3.213,6,0.352,0.65,1.0,0.59967617024193,0.6541018436022206,0.39812213008018643,0.3580974573367144,0.5024994003152629
EOS-2-34022,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)nc2)c1,MEHYVMYZFDXKGI-UHFFFAOYSA-N,2,1,0.394,80,165,478.451,3.213,6,0.352,0.65,1.0,0.5291789459255706,0.5026129120690837,0.40859091220615446,0.38089404427386747,0.455319203618669
EOS-2-34023,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)n2)nn1,GURKWDCZQNJYAJ-UHFFFAOYSA-N,2,1,0.453,28,218,478.451,3.213,6,0.352,0.61,1.0,0.5882564594613118,0.5767682132821602,0.2572561853197176,0.23554759783428142,0.41445711397436774
EOS-2-34024,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)n2)nc1,MFVKENPUNNAVNX-UHFFFAOYSA-N,2,1,0.398,80,277,478.451,3.213,6,0.352,0.62,1.0,0.5969775889246796,0.6107189363306148,0.39436125008566925,0.36806935782331573,0.49253178329106984
EOS-2-34025,Fc1ccc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cn1,SDORZGBQLOABJO-UHFFFAOYSA-N,2,1,0.452,40,8,478.451,3.213,6,0.329,0.64,1.0,0.6938352409019258,0.5965835103831129,0.31234151189089165,0.3009903365088068,0.47593764992118426
EOS-2-34026,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnccn6)cn5)n34)cn2)cn1,UXYFVDXEXOCPPL-UHFFFAOYSA-N,2,1,0.433,80,277,478.451,3.213,6,0.329,0.63,1.0,0.5941505037351792,0.6343122472757179,0.3943698170104859,0.354756356658214,0.4943972311698992
EOS-2-34027,Fc1cccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)nn2)c1,JVFUBCBBNCFEHA-UHFFFAOYSA-N,2,1,0.444,40,177,478.451,3.213,6,0.352,0.66,1.0,0.5034010691522172,0.6058186553354807,0.23234356795284763,0.31372078678637516,0.41382101980673014
EOS-2-34028,Fc1ccccc1-c1ccnnc1COc1cncc2nnc(-c3cnc(-c4ccnnc4)nc3)n12,MKJNPCASDZUXAJ-UHFFFAOYSA-N,2,1,0.446,6,247,478.451,3.213,6,0.352,0.64,1.0,0.5627784250565417,0.6294033993557673,0.37193304091563295,0.3964687135905695,0.4901458947296279
EOS-2-34029,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccnnc6)cn5)n34)cn2)nc1,XUJPERKPOVCHDC-UHFFFAOYSA-N,2,1,0.418,6,855,478.451,3.213,6,0.352,0.65,1.0,0.6637396340209718,0.6585823452813379,0.3981306970050031,0.37113631690768284,0.5228972483037488
EOS-2-34030,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)ccc1-c1cncnn1,DAJTZJRXNIPYMD-UHFFFAOYSA-N,2,1,0.495,6,414,478.451,3.213,6,0.352,0.66,1.0,0.7307586868617642,0.6058272222602974,0.3719416078404496,0.35172366527311355,0.5150627955589062
EOS-2-34031,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)cn5)n34)cc2)nc1,HSNWQTCFISKTTC-UHFFFAOYSA-N,2,1,0.447,40,355,478.451,3.213,6,0.352,0.68,1.0,0.7517133849633335,0.6157991227468987,0.4193766705503392,0.4090620930710712,0.5489878178329106
EOS-2-34032,Fc1cc(-c2noc(C3CC3)n2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnn4)nc3)n12,UIOUDVSAQYVBGO-UHFFFAOYSA-N,2,1,0.283,42,314,478.451,3.772,7,0.36,0.65,1.0,0.26271331642793505,0.3610102117743815,0.10273456240148036,0.22082105407442945,0.2368197861695566
EOS-2-34033,Fc1cnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)nc1,UFDUNNRKGZXNTE-UHFFFAOYSA-N,2,1,0.518,56,8,478.451,3.213,6,0.352,0.6,1.0,0.780506819272154,0.697698923994243,0.21131176752792818,0.20032040298814338,0.47245947844561714
EOS-2-34034,Fc1cnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)nc1,ZRCINUSTVKDIIH-UHFFFAOYSA-N,2,1,0.489,80,8,478.451,3.213,6,0.352,0.64,1.0,0.7120228222877116,0.6732317867178398,0.30129874580220684,0.2979490781988897,0.49612560825166196
EOS-2-34035,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)nn5)n34)cn2)ccn1,KXQHTXSEYTYIOG-UHFFFAOYSA-N,2,1,0.426,6,277,478.451,3.213,6,0.329,0.62,1.0,0.5158488109108355,0.5767767802069769,0.37960043862655063,0.3517322321979302,0.4559895654855733
EOS-2-34036,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)nc1,HJQHOCUDYACMRK-UHFFFAOYSA-N,2,1,0.441,80,355,478.451,3.213,6,0.352,0.68,1.0,0.6511976560893702,0.6684514426701391,0.34943629634706325,0.34199163868137894,0.5027692584469878
EOS-2-34037,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cn2)cn1,QQIWLAIIOBVILN-UHFFFAOYSA-N,2,1,0.457,80,414,478.451,3.213,6,0.329,0.6,0.976,0.6082859296826811,0.6202967582756493,0.3013073127270235,0.25000856692481666,0.44497464190254266
EOS-2-34038,Fc1cccc(Oc2cccnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1F,QHCKUUDRRPHHSZ-UHFFFAOYSA-N,2,1,0.32,69,479,478.462,5.986,6,0.303,0.76,1.0,0.5391936810362552,0.6489017202385032,0.8985247755465698,0.8917654718662189,0.7445964121718868
EOS-2-34039,CC(C)(C)N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cc2)o1,KGXITDFQSMFVSD-UHFFFAOYSA-N,2,1,0.453,4,22,478.463,3.726,5,0.409,0.45,0.675,0.47866835720649714,0.3896323075868686,0.45260777191419366,0.2710575011993695,0.3979914844767322
EOS-2-34040,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)c(F)c5)n34)nn2)nn1,BZIYRDHYOZNEER-UHFFFAOYSA-N,2,1,0.389,3,641,478.466,4.959,6,0.353,0.66,1.0,0.3358834212870948,0.49828661503666644,0.7493660475635666,0.7895963265026387,0.5932831025974916
EOS-2-34041,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cc1F,ARLUBHJXCLTTNK-UHFFFAOYSA-N,2,1,0.291,32,20,478.466,4.959,6,0.331,0.61,1.0,0.37983174559660066,0.44896682886710987,0.6767270920430403,0.6910424234116921,0.5491420224796106
EOS-2-34042,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cn5)n34)cc2F)cn1,OYTSBGGMBVBEGQ-UHFFFAOYSA-N,2,1,0.354,42,170,478.466,4.959,6,0.331,0.68,1.0,0.3520149407168803,0.47097525872112944,0.8460523610444795,0.8219364676855596,0.6227447570420122
EOS-2-34043,Cc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)c(F)c2)n1,FPAZAWMOGCXEST-UHFFFAOYSA-N,2,1,0.31,42,171,478.466,4.959,6,0.331,0.69,1.0,0.2868035090124049,0.4447005003084093,0.777131450894387,0.7730878623809198,0.5704308306490302
EOS-2-34044,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cc(F)c(-c6cncnc6)cc5F)n34)cc2)cn1,IWNUTGCIKLSGOU-UHFFFAOYSA-N,2,1,0.305,42,171,478.466,4.959,6,0.353,0.69,1.0,0.3107223631005414,0.48403981906654786,0.8585343705023645,0.8436964567198958,0.6242482523473374
EOS-2-34045,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)c(F)c2)cc1F,HRNMLZZFEZWUBI-UHFFFAOYSA-N,2,1,0.31,42,170,478.466,4.959,6,0.353,0.66,1.0,0.3134637790418751,0.45790213145089437,0.860170653142348,0.8437050236447124,0.6188103968199574
EOS-2-34046,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccon6)n5)n34)cc2)cc1=O,MWKUPBNYRGVLBY-UHFFFAOYSA-N,2,1,0.495,81,609,478.472,3.181,6,0.355,0.58,1.0,0.33097457336714414,0.19585703515865946,0.3233157425810431,0.27106606812418615,0.2803033548077582
EOS-2-34047,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccon6)n5)n34)cn2)cn1,DZWAHUAIEOOKAZ-UHFFFAOYSA-N,2,1,0.457,28,297,478.472,3.886,6,0.333,0.68,1.0,0.37054519909533273,0.26614865327941883,0.35691522171201423,0.23260914262216434,0.30655455417723254
EOS-2-34048,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccc6)o5)n34)cc2)cc1=O,GQANVQALAUEGIH-UHFFFAOYSA-N,2,1,0.438,12,937,478.472,3.181,6,0.355,0.71,1.0,0.39553491878555275,0.2764974984579535,0.22156637653347955,0.21245973545336166,0.2765146323075869
EOS-2-34049,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2)nc1,BIWRBHPAAXCUCB-UHFFFAOYSA-N,2,1,0.522,81,117,478.472,3.886,6,0.333,0.62,1.0,0.4106041395380714,0.3365173737235282,0.45261633883901037,0.319734768007676,0.3798681550270715
EOS-2-34050,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(CC6(O)Oc7ccccc76)n5)n34)cc2)o1,WAIWTZOLTNKWDU-UHFFFAOYSA-N,2,1,0.316,3,303,478.472,3.251,7,0.397,0.51,0.968,0.2868120759372216,0.2661572202042355,0.5354927695154548,0.434625796724008,0.3807719655952299
EOS-2-34051,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)cc5)n34)cc2)o1,JGEGKGHXCPLVJU-UHFFFAOYSA-N,2,1,0.518,77,323,478.472,3.886,6,0.333,0.74,1.0,0.6790915632924406,0.40859091220615446,0.3796090055513673,0.2739445548625865,0.4353090089781372
EOS-2-34052,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ccno6)n5)n34)c2)cc1=O,HDEGTRWJNPJHQJ-UHFFFAOYSA-N,2,1,0.464,28,667,478.472,3.181,6,0.355,0.6,0.999,0.2627218833527517,0.14653724898910286,0.31605955726132545,0.2590209718319512,0.2460849153587828
EOS-2-34053,COc1cc(-c2nnc3cncc(Oc4cccc(-c5cccnc5)n4)n23)ccc1-c1nnc(C)o1,GFWWTWXALJPWLQ-UHFFFAOYSA-N,2,1,0.402,41,622,478.472,4.408,6,0.34,0.73,1.0,0.3659790281680488,0.18710163799602494,0.32704235487629363,0.21246830237817832,0.2731478308546364
EOS-2-34054,COc1nc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)nc4)n23)ccc1-c1cnco1,DNUYSYKOTKPLEK-UHFFFAOYSA-N,2,1,0.451,28,297,478.472,3.886,6,0.333,0.56,1.0,0.4332293879788911,0.1252398738948667,0.30853779727229114,0.20337879514769377,0.2675964635734357
EOS-2-34055,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)cc2)nc1,PAHJTBWRGNZGIF-UHFFFAOYSA-N,2,1,0.484,28,177,478.472,4.045,6,0.316,0.68,1.0,0.48090432458364746,0.2508309917072168,0.3679922554999657,0.28304262901788774,0.3456925502021794
EOS-2-34056,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)cc1,XCMCTZZMFMNOLF-UHFFFAOYSA-N,2,1,0.484,77,323,478.472,4.045,6,0.316,0.61,1.0,0.6909481872387088,0.4489753957919265,0.27943595367007057,0.24435439654581592,0.41592848331163046
EOS-2-34057,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6cnno6)cc5)n34)nn2)cc1,CLTBXBNPNYAYSO-UHFFFAOYSA-N,2,1,0.5,77,960,478.472,4.045,6,0.316,0.59,1.0,0.5034096360770338,0.3657648550476321,0.3233243095058598,0.2917466246316222,0.371061356315537
EOS-2-34058,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6cnoc6)nc5)n34)nn2)cc1,FGUJLPJBGGHXJP-UHFFFAOYSA-N,2,1,0.454,28,363,478.472,4.045,6,0.316,0.57,0.999,0.4636505380028785,0.30214687135905693,0.2904016174354054,0.25634809128915087,0.3281367795216229
EOS-2-34059,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3OC)n12,BZOLOTRINPKJAV-UHFFFAOYSA-N,2,1,0.345,42,339,478.472,3.983,6,0.347,0.65,1.0,0.3184925639092591,0.06540847097525872,0.5010194640531834,0.3358748543622781,0.30519883832499484
EOS-2-34060,c1ccc(COc2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cn2)cc1,UGNKIYPMQCCBGI-UHFFFAOYSA-N,2,1,0.483,77,363,478.472,3.789,6,0.319,0.6,1.0,0.397616681516003,0.30215543828387365,0.40859947913097117,0.30099890343362345,0.35234262559111784
EOS-2-34061,Cn1nc(-c2cnccn2)nc1COc1cncc2nnc(-c3ccc(-c4ncccc4O)cc3)n12,YJLDKHGJZLYGRF-UHFFFAOYSA-N,2,1,0.415,56,355,478.476,2.723,6,0.38,0.55,0.997,0.3997412788705366,0.3175844698786923,0.07236481392639298,0.06932355561647591,0.21475352957302446
EOS-2-34062,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6noc(C)n6)cn5)n34)cc2)nn1,WYGQPRKKBUPVAO-UHFFFAOYSA-N,2,1,0.462,71,8,478.476,3.284,6,0.348,0.63,1.0,0.3566667808923309,0.31759303680350903,0.09774004523336303,0.07311013638544309,0.21127749982866148
EOS-2-34063,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5nc[nH]n5)n34)cn2)cn1,XIQGDFGTCVHNAF-UHFFFAOYSA-N,2,1,0.404,6,903,478.476,3.016,6,0.364,0.7,1.0,0.5240130902611199,0.33652594064834485,0.23235213487766432,0.14392433692001919,0.30920387567678703
EOS-2-34064,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)n1,OXDGMKGDSLJVGQ-UHFFFAOYSA-N,2,1,0.538,81,609,478.476,3.143,6,0.337,0.74,1.0,0.259929065862518,0.23037317524501405,0.13046569803303407,0.11256082516619834,0.18333219107669113
EOS-2-34065,COc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)n5)n34)c2)nc1,WABLOEMICPUPKM-UHFFFAOYSA-N,2,1,0.451,81,609,478.476,3.016,6,0.364,0.71,0.996,0.35667534781714755,0.2558255088753341,0.2502655746693167,0.1838119388664245,0.26164459255705574
EOS-2-34066,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6noc(C)n6)n5)n34)cn2)cn1,SNJZJCGHHBQINS-UHFFFAOYSA-N,2,1,0.42,80,843,478.476,3.284,6,0.348,0.62,1.0,0.34762867521074636,0.3021640052086903,0.0977486121581797,0.05958296209992461,0.20178106366938525
EOS-2-34067,Cn1c(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccncc6)cn5)n34)cc2)n[nH]c1=O,HQRGTZGZFFZIND-UHFFFAOYSA-N,2,1,0.462,40,425,478.476,2.311,6,0.381,0.65,1.0,0.3635117538208485,0.20062024535672676,0.15186587622507025,0.13263313001165103,0.21215775135357412
EOS-2-34068,COc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)cc1,CCAJDEDBULEKSD-UHFFFAOYSA-N,2,1,0.418,28,288,478.476,2.812,6,0.337,0.64,1.0,0.2466246316222329,0.17447399081625659,0.1193029949969159,0.0932509766294291,0.15841314851620864
EOS-2-34069,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(O)cc5)nn4)n23)cc1,IMQNFZJKFDHNNX-UHFFFAOYSA-N,2,1,0.435,67,755,478.476,2.723,6,0.38,0.59,1.0,0.44276437529984236,0.23523918854088136,0.16753478171475567,0.14658008361318622,0.2480296072921664
EOS-2-34070,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)nn4)n23)cc1,RGCGEFSQBYTXFC-UHFFFAOYSA-N,2,1,0.528,67,755,478.476,3.143,6,0.337,0.7,1.0,0.38207627989856763,0.20512644781029402,0.1486875471180865,0.13689945857035157,0.21819743334932493
EOS-2-34071,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)cc1,GIUJZGNNYBAFKS-UHFFFAOYSA-N,2,1,0.484,77,755,478.476,3.175,6,0.346,0.65,1.0,0.6572030703858543,0.4753529573024467,0.18363203344527448,0.17280344047700638,0.37224787540264553
EOS-2-34072,COc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5-c5nn[nH]n5)nc4)n23)nc1,ZQBCLMNNCLYKPM-UHFFFAOYSA-N,2,1,0.475,81,363,478.476,3.016,6,0.364,0.72,1.0,0.3775358097457337,0.33159995887876087,0.2832825029127544,0.20922143787266123,0.3004099273524775
EOS-2-34073,Cc1cc(C(F)(F)F)ccc1CCOc1cncc2nnc(-c3ccc(-c4cnn(C)c4)cc3)n12,GKUVUMZHEZTYBA-UHFFFAOYSA-N,2,1,0.573,91,322,478.478,5.141,5,0.338,0.72,1.0,0.7457165375916661,0.7999965732300733,0.9785655541086972,0.9330837502570077,0.8643406037968611
EOS-2-34074,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(-c6nccnn6)n5)n34)cc2)n1,KDFHLDLWWLAUJH-UHFFFAOYSA-N,2,1,0.461,56,415,478.48,1.85,6,0.331,0.59,1.0,0.5291875128503872,0.3415204578164622,0.02909327667740388,0.022633815365636353,0.23060876567747243
EOS-2-34075,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cnccn6)nn5)n34)cc2)n1,JTKZIKICEPIEIH-UHFFFAOYSA-N,2,1,0.489,71,614,478.48,1.85,6,0.331,0.61,1.0,0.48846035227194845,0.322467617024193,0.04215783702282229,0.03819135083270509,0.22281928928791722
EOS-2-34076,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)nn5)n34)nn2)cn1,BCQRQTZAPYIOJB-UHFFFAOYSA-N,2,1,0.383,53,766,478.48,2.291,6,0.333,0.62,1.0,0.16903399355767254,0.10563018298951408,0.04704955109313961,0.03819991775752176,0.089978411349462
EOS-2-34077,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cn2)n(C)n1,PTDVRZSQDGKBEQ-UHFFFAOYSA-N,2,1,0.376,80,855,478.48,2.116,6,0.346,0.68,1.0,0.3134723459666918,0.19586560208347611,0.04075286135288877,0.02694297854842026,0.14425844698786927
EOS-2-34078,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cnccn6)n5C)n34)cn2)n1,RWXCQQYRMIKZBD-UHFFFAOYSA-N,2,1,0.375,80,277,478.48,2.116,6,0.346,0.55,0.939,0.3453327393598794,0.22534439037763004,0.02083476115413611,0.017236652731135633,0.1521871359056953
EOS-2-34079,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cccnn6)n5)n34)cn2)n(C)n1,LKIRDNVSDIFXMH-UHFFFAOYSA-N,2,1,0.353,6,502,478.48,2.116,6,0.346,0.65,0.992,0.3405866630114454,0.19587416900829277,0.021605784387636214,0.013775615105201837,0.14296055787814405
EOS-2-34080,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cc2)cc1F,WMKBUYBBAUHXIV-UHFFFAOYSA-N,2,1,0.517,12,492,478.487,5.068,6,0.36,0.7,1.0,0.5996847371667466,0.5436913165650058,0.8950209032965527,0.8611387156466315,0.7248839181687341
EOS-2-34081,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)ccc2F)no1,CTAOCUFWKMIEDZ-UHFFFAOYSA-N,2,1,0.573,12,285,478.487,5.535,6,0.311,0.79,1.0,0.8862055376602015,0.7876859022685216,0.7369440065793983,0.7238623123843465,0.7836744397231169
EOS-2-34082,Cn1c(=O)c(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc2cc(F)ccc21,MDXYNNRGVJSTJE-UHFFFAOYSA-N,2,1,0.467,12,285,478.487,4.423,6,0.365,0.72,1.0,0.5912206154478789,0.5767853471317935,0.5423377424439723,0.6418254403399356,0.5880422863408951
EOS-2-34083,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnc(C)o6)c(F)c5)n34)cc2)cn1,CRAYFXMQQWKXAY-UHFFFAOYSA-N,2,1,0.524,41,492,478.487,6.057,6,0.298,0.75,1.0,0.757324720718251,0.6929014460969091,0.8444503461037626,0.7660030155575355,0.7651698821191146
EOS-2-34084,Oc1ccc(F)cc1-c1cccc(-c2nnc3cncc(OCc4ccccc4-n4ccnc4)n23)c1,IJUPQNWUXVVRSA-UHFFFAOYSA-N,2,1,0.45,12,177,478.487,5.068,6,0.36,0.66,1.0,0.5685696662326092,0.4535587005688438,0.8743489137139332,0.8473116989925297,0.6859472448769789
EOS-2-34085,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)cc1,JYYYAWLHPZYKHP-UHFFFAOYSA-N,2,1,0.72,12,492,478.487,5.269,6,0.309,0.73,1.0,0.967222945651429,0.9531217874031938,0.8257573161537934,0.8050681927215406,0.8877925604824892
EOS-2-34086,Cc1ocnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)cc1,UEIHDHSYBOFIRH-UHFFFAOYSA-N,2,1,0.573,77,427,478.487,5.535,6,0.311,0.76,1.0,0.8917483380165856,0.8043657048865739,0.7942910013021726,0.7478582687958331,0.8095658282502912
EOS-2-34087,Cc1onc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,DXOJFSHYLBGFIR-UHFFFAOYSA-N,2,1,0.553,41,492,478.487,5.535,6,0.311,0.71,1.0,0.8315742581043108,0.7955931738743061,0.7160749777259955,0.7134020971831951,0.7641611267219519
EOS-2-34088,Fc1ccc(-c2cccc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)cc1,NHHIEQMEFPDOHM-UHFFFAOYSA-N,2,1,0.679,12,994,478.487,5.269,6,0.309,0.74,1.0,0.9691933383592626,0.9212014255362895,0.8184497292851758,0.8007590295387568,0.8774008806798712
EOS-2-34089,Cc1csc(COc2cncc3nnc(-c4cncc(-c5csc(C)n5)c4)n23)n1,ZVAUUJZHPFMOGQ-UHFFFAOYSA-N,2,1,0.47,4,464,421.511,3.962,5,0.424,0.76,1.0,0.3159396203138921,0.3073469947227743,0.09291686656157906,0.06416626687684189,0.19509243711877186
EOS-2-34090,Cc1csc(COc2cncc3nnc(-c4cccc(-c5nsc(C)n5)c4)n23)n1,NWABZOPGYQFFHS-UHFFFAOYSA-N,2,1,0.532,4,506,421.511,3.962,5,0.424,0.76,1.0,0.27849359194023715,0.3224761839490097,0.04861729833458982,0.03820848468233843,0.17194888972654376
EOS-2-34091,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5csc(C)n5)c4)n23)n1,ZZTBYHVDPMTVBI-UHFFFAOYSA-N,2,1,0.532,24,464,421.511,3.962,5,0.424,0.82,1.0,0.3107309300253581,0.3415290247412789,0.07018024809814269,0.04860016448495648,0.19276009183743406
EOS-2-34092,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cccs5)n34)c2)s1,YSXFRXABHBTXKX-UHFFFAOYSA-N,2,1,0.571,87,838,421.511,3.696,5,0.413,0.73,1.0,0.5656312110204921,0.42692413131382356,0.0744637105064766,0.07702522102666028,0.28601106846686314
EOS-2-34093,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4cccc(F)n4)cn3)n12,CVLUGGJRXBRIJE-UHFFFAOYSA-N,2,1,0.302,32,179,478.491,4.464,6,0.338,0.57,1.0,0.3499931464601467,0.2815262833253375,0.5978085806318963,0.5064166266876842,0.43393615927626616
EOS-2-34094,Cn1cc(-c2ccc(COc3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)nc2)cn1,TUBKWFZKJORZDV-UHFFFAOYSA-N,2,1,0.539,40,25,478.491,4.367,6,0.351,0.72,1.0,0.46616064697416215,0.5298471660612707,0.651797340826537,0.6062812692755808,0.5635216057843877
EOS-2-34095,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nn6)cc5)n34)cc2)cn1,GXXDOVRCFJQWAG-UHFFFAOYSA-N,2,1,0.518,77,190,478.491,4.367,6,0.351,0.64,1.0,0.6760674388321568,0.5767939140566103,0.7421526968679323,0.664767664998972,0.6649454286889178
EOS-2-34096,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cnc1-c1ccccn1,ZQKFECAELWSJJA-UHFFFAOYSA-N,2,1,0.5,28,763,478.491,4.399,6,0.362,0.61,1.0,0.9434925639092592,0.8484768007675965,0.5817712973750943,0.559600095949558,0.733335189500377
EOS-2-34097,CCn1nc(-c2ccc(F)cc2)cc1Oc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,ZUALDQZIFLQKFA-UHFFFAOYSA-N,2,1,0.451,77,937,478.491,5.063,6,0.33,0.73,1.0,0.5941590706599958,0.576802480981427,0.4875094236172983,0.46592077307929547,0.5310979370845041
EOS-2-34098,Cc1ccncc1-c1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(F)cc5)c4)n23)cn1,YDSYCJNRAHQCFV-UHFFFAOYSA-N,2,1,0.457,28,247,478.491,4.461,6,0.349,0.79,1.0,0.32840449592214377,0.3706394352683161,0.6739856761017066,0.6242204098416833,0.49931250428346247
EOS-2-34099,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,OVZOTMHGQWRQNA-UHFFFAOYSA-N,2,1,0.472,12,285,478.491,4.367,6,0.351,0.68,1.0,0.5882650263861284,0.5768110479062436,0.44178774587074227,0.4659293400041121,0.5181982900418066
EOS-2-34100,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccn4)n23)c1,OSIOBXKDQDPAGX-UHFFFAOYSA-N,2,1,0.484,77,177,478.491,4.367,6,0.351,0.75,1.0,0.5852751696251114,0.5026214789939003,0.6278442190391337,0.633018641628401,0.5871898773216365
EOS-2-34101,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncc(F)c6)n5)n34)cc2)cn1,BAEBMXOQXBOXMN-UHFFFAOYSA-N,2,1,0.5,40,25,478.491,4.367,6,0.351,0.72,1.0,0.48596737715029814,0.5344047700637379,0.684651497498458,0.6214190254266329,0.5816106675347817
EOS-2-34102,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccc(F)nc6)cn5)n34)cc2)cn1,HQEMVRWETSNCBN-UHFFFAOYSA-N,2,1,0.529,41,25,478.491,4.367,6,0.328,0.6,1.0,0.49836371736001644,0.5114197107806182,0.7518675896100336,0.6676547186621891,0.6073264341032143
EOS-2-34103,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccc(F)nc6)c5)n34)cc2)cn1,BQCXVFRSDAWJBE-UHFFFAOYSA-N,2,1,0.489,41,78,478.491,4.367,6,0.328,0.6,1.0,0.6482335001028031,0.5160458501816189,0.7879514769378384,0.7106949489411281,0.665731444040847
EOS-2-34104,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccc(F)nc6)n5)n34)cc2)n1,SXMNBXQZPPRRRF-UHFFFAOYSA-N,2,1,0.469,77,609,478.491,4.367,6,0.328,0.69,1.0,0.5008995271057501,0.5114282777054349,0.6368737577959016,0.5596086628743746,0.5522025563703653
EOS-2-34105,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccc(F)nc6)cc5)n34)nc2)cn1,KORSINCMTPIYEW-UHFFFAOYSA-N,2,1,0.418,41,190,478.491,4.367,6,0.328,0.74,1.0,0.4933434994174491,0.41347405935165515,0.7539836200397505,0.6825526009183743,0.5858384449318073
EOS-2-34106,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4cccc(F)c4)n23)cn1,XOWRJVACMXZYKP-UHFFFAOYSA-N,2,1,0.448,28,247,478.491,4.367,6,0.351,0.72,1.0,0.7395997532725653,0.6058357891851142,0.5390052086902886,0.5096377904187512,0.5985196353916797
EOS-2-34107,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cccc(OCc5cccc(F)c5)c4)n23)c1,GMAOEEBQDYTSMU-UHFFFAOYSA-N,2,1,0.385,25,791,478.491,4.367,6,0.351,0.84,1.0,0.36352032074566515,0.4402371324789254,0.6306284696045508,0.6560636693852375,0.5226123980535947
EOS-2-34108,COc1ncc(-c2cn(C)nn2)cc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cc3)n12,QCMHICVNWWWIPI-UHFFFAOYSA-N,2,1,0.366,9,774,478.491,4.464,6,0.361,0.76,1.0,0.2652748269481187,0.44470906723322595,0.6462202727708861,0.6093996299088479,0.49140094921526967
EOS-2-34109,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)cn5)cn4)n23)cc1,NAHUVUVZRYMXJS-UHFFFAOYSA-N,2,1,0.523,40,25,478.491,4.367,6,0.351,0.69,1.0,0.7975464327325064,0.6058443561099308,0.6221986155849496,0.54990233705709,0.6438729353711192
EOS-2-34110,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,UNKJTPOEPGCVFF-UHFFFAOYSA-N,2,1,0.326,42,762,478.491,4.464,6,0.338,0.65,0.999,0.3566839147419642,0.3176016037283257,0.6682458364745391,0.5661966280583921,0.4771819957508052
EOS-2-34111,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)ncc2F)cn1,OKZNVLCMKVQSCV-UHFFFAOYSA-N,2,1,0.517,40,25,478.491,4.367,6,0.351,0.64,1.0,0.5265574669316702,0.5486001644849565,0.7493746144883833,0.682561167843191,0.6267733534370502
EOS-2-34112,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)c1,NBZRCVUOLCUBLM-UHFFFAOYSA-N,2,1,0.517,77,755,478.491,4.367,6,0.328,0.7,1.0,0.8031235007881571,0.562410047289425,0.6821585223768076,0.6447210609279693,0.6731032828455897
EOS-2-34113,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)c1,JZKZSDKMIUISFD-UHFFFAOYSA-N,2,1,0.62,12,492,478.491,4.367,6,0.351,0.78,1.0,0.7947022136933726,0.707679391405661,0.6368823247207183,0.6676632855870057,0.7017318038516894
EOS-2-34114,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)n1,JJTPPMKOSIWDBQ-UHFFFAOYSA-N,2,1,0.523,12,492,478.491,4.367,6,0.351,0.76,1.0,0.6249828661503667,0.6541104105270372,0.5456874100472894,0.5662051949832089,0.5977464704269755
EOS-2-34115,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cncc6cccc(F)c56)n34)ccn2)n1,YRBVSZWAFYJKHA-UHFFFAOYSA-N,2,1,0.49,75,530,478.491,4.261,6,0.35,0.55,1.0,0.7947107806181893,0.7259954766636968,0.5390137756151052,0.5263090261119868,0.6465072647522445
EOS-2-34116,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)nc2)n1C,DXELISAIHXEQSJ-UHFFFAOYSA-N,2,1,0.362,41,318,478.491,4.889,6,0.348,0.72,1.0,0.5739753957919266,0.5486087314097732,0.6011325474607635,0.5134158042629018,0.5592831197313413
EOS-2-34117,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncc(F)cn6)c5)n34)cc2)cn1,SBCZAQVCVRVRET-UHFFFAOYSA-N,2,1,0.536,40,190,478.491,4.367,6,0.351,0.76,1.0,0.6938438078267425,0.5624186142142417,0.6846600644232747,0.6094081968336645,0.6375826708244808
EOS-2-34118,Cn1cnc(-c2cccc(F)c2)c1COc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,QNQONUYJCAQNHA-UHFFFAOYSA-N,2,1,0.511,40,857,478.491,4.367,6,0.351,0.74,1.0,0.7365670618874649,0.5713624837228428,0.5189671715441025,0.4932321293948324,0.5800322116373107
EOS-2-34119,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)cc1,RHGLWXHGRDCSMM-UHFFFAOYSA-N,2,1,0.662,12,492,478.491,4.367,6,0.351,0.84,1.0,0.8505756973476801,0.7260040435885134,0.6545301898430539,0.6794599410595573,0.7276424679597012
EOS-2-34120,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)nc2)cn1,WQRSXVCZYARNHA-UHFFFAOYSA-N,2,1,0.474,28,801,478.491,4.461,6,0.349,0.69,1.0,0.42671852511822356,0.4579106983757111,0.6739942430265232,0.6062898362003976,0.5412283256802138
EOS-2-34121,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(F)c1,KBMRSGNEUVLXIE-UHFFFAOYSA-N,2,1,0.561,12,285,478.491,4.367,6,0.351,0.77,1.0,0.8457096840518128,0.6389640874511685,0.6222071825097663,0.6560722363100542,0.6907382975807005
EOS-2-34122,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)ncc2F)cn1,ZWBUYGZMDPEXLF-UHFFFAOYSA-N,2,1,0.54,41,25,478.491,4.367,6,0.351,0.64,1.0,0.552172572133507,0.5486172983345898,0.736952573504215,0.6734545267630732,0.6277992426838462
EOS-2-34123,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)ccc2F)cn1,ALRWAWJLRLEOJC-UHFFFAOYSA-N,2,1,0.457,28,363,478.491,4.367,6,0.351,0.72,1.0,0.47606401206223015,0.5026300459187171,0.5657854156671921,0.5335737783565211,0.5195133130011651
EOS-2-34124,COc1ncc(-c2cnn(C)c2)cc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nc4)cc3)n12,JOUJSQYNZBCFSD-UHFFFAOYSA-N,2,1,0.349,42,725,478.491,4.464,6,0.338,0.65,1.0,0.2895449249537386,0.3657734219724488,0.7216520457816462,0.6214275923514495,0.4995994962648208
EOS-2-34125,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)cc2F)n1,ILIPDHHMKPKSQC-UHFFFAOYSA-N,2,1,0.544,28,218,478.491,4.367,6,0.351,0.66,1.0,0.5211089027482695,0.5253923651566034,0.5786786375162771,0.5166541018436023,0.535458501816188
EOS-2-34126,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)cc5)nc4)n23)cc1,LLCNEAAOLOCZGU-UHFFFAOYSA-N,2,1,0.585,77,755,478.491,4.367,6,0.351,0.78,1.0,0.8365430744979782,0.6011496813103968,0.6490130902611199,0.6214361592762662,0.6770355013364402
EOS-2-34127,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)cnn1,PNYGFTJYGCKTFR-UHFFFAOYSA-N,2,1,0.484,77,755,478.491,4.367,6,0.351,0.71,0.987,0.797554999657323,0.5918717017339455,0.6956342951134261,0.6764786512233568,0.6903849119320129
EOS-2-34128,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nn6)cc5)n34)c2)cn1,UNYSZGIUPPLPGK-UHFFFAOYSA-N,2,1,0.506,77,323,478.491,4.367,6,0.351,0.67,1.0,0.6667037900075389,0.5713710506476595,0.7291909396203139,0.6619662805839216,0.6573080152148585
EOS-2-34129,COc1cc(-c2ccn(C)n2)ccc1-c1cncc2nnc(-c3ccc(-c4ncccn4)c(F)c3)n12,KWAZIVIPMJVRDL-UHFFFAOYSA-N,2,1,0.333,42,867,478.491,4.464,6,0.361,0.66,1.0,0.3284130628469605,0.36101877869919813,0.6656157905558221,0.5629497635528751,0.479499348913714
EOS-2-34130,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5ccncc5)n4)n23)ccc1F,KIMIEVWZRATMIX-UHFFFAOYSA-N,2,1,0.495,28,667,478.491,4.367,6,0.351,0.67,1.0,0.5627869919813584,0.5436998834898225,0.6873500788157083,0.6270560619560003,0.6052232540607223
EOS-2-34131,Cc1cc(-c2ncccc2-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)ncc1F,MBSILIJJHHBHGV-UHFFFAOYSA-N,2,1,0.447,28,933,478.491,4.461,6,0.349,0.63,1.0,0.4017973408265369,0.34659207730792957,0.613057706805565,0.5530635323144404,0.478627664313618
EOS-2-34132,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)c(F)c2)nn1,KQRWGENUEHRBOQ-UHFFFAOYSA-N,2,1,0.495,81,932,478.491,4.461,6,0.349,0.66,1.0,0.3867366869988349,0.47991912822973065,0.640112055376602,0.5789270783359606,0.521423737235282
EOS-2-34133,Cn1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c(-c2cccc(F)n2)n1,RULGNPFRGRKJAB-UHFFFAOYSA-N,2,1,0.467,77,190,478.491,4.367,6,0.328,0.7,1.0,0.5443681036255226,0.5344133369885546,0.552480981426907,0.5366921389897882,0.5419886402576931
EOS-2-34134,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)cc3)n12,CKTUGCMUMILYRV-UHFFFAOYSA-N,2,1,0.365,9,642,478.491,4.464,6,0.338,0.7,1.0,0.3309831402919608,0.3610273456240148,0.690065793982592,0.6242289767664999,0.5015763141662668
EOS-2-34135,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6F)nc5)n34)nc2)cn1,KUHATBRIVSGMLT-UHFFFAOYSA-N,2,1,0.5,28,363,478.491,4.367,6,0.351,0.79,1.0,0.49569940374203275,0.5072818860941677,0.6929014460969091,0.6389469536015352,0.5837074223836612
EOS-2-34136,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ccsc1,MCIBPESHIGWSQH-UHFFFAOYSA-N,2,1,0.519,97,103,421.507,4.564,5,0.4,0.64,1.0,0.4884689191967651,0.36578198889726543,0.49397745185388253,0.3995613734493866,0.4369474333493249
EOS-2-34137,COc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)s4)n23)cn1,ZLCUSOMJYHJKJZ-UHFFFAOYSA-N,2,1,0.471,4,390,421.507,4.564,5,0.4,0.71,1.0,0.4809128915084641,0.4489839627167432,0.4304537043382907,0.3137293537111918,0.41851997806867247
EOS-2-34138,CCN(CC)CCOc1cncc2nnc(-c3ccc(-c4ccn(C)n4)c(OC)c3)n12,YOJTUKAPDFQWPU-UHFFFAOYSA-N,2,1,0.529,5,548,421.505,2.921,4,0.411,0.74,1.0,0.15817969981495442,0.007675964635734357,0.05618189294770749,0.024270098005619904,0.06157691385100404
EOS-2-34139,Cc1cccc(-c2nnc3cncc(-c4c(-c5ccc(F)cc5)nn(C)c4-c4ccc(F)cc4)n23)c1,SIMSCLHYXYYDND-UHFFFAOYSA-N,2,1,0.373,83,950,478.506,6.112,6,0.307,0.72,1.0,0.15016105818655334,0.37064800219313276,0.8571122609827976,0.8890840243986019,0.5667513364402714
EOS-2-34140,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4nccs4)n23)nn1C,SSKUKLVWRQZJKT-UHFFFAOYSA-N,2,1,0.548,31,569,421.49,2.312,5,0.415,0.6,0.889,0.12793845521211705,0.011710986224384894,0.014478102940168597,0.007496059214584333,0.04040590089781372
EOS-2-34141,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)nn2C)cn1,CHNNKVZGOIXTNU-UHFFFAOYSA-N,2,1,0.442,31,569,421.49,2.486,5,0.398,0.71,0.997,0.07193646768555959,0.005885477349050785,0.02576930984853677,0.015925913234185456,0.02987929202933315
EOS-2-34142,c1cc(-c2cnsc2)cc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)c1,JFEZXDUGFVWBIJ-UHFFFAOYSA-N,2,1,0.304,69,30,421.489,4.972,6,0.434,0.59,1.0,0.12505140154890002,0.11818072784593242,0.6682544033993557,0.6854653553560414,0.3992379720375574
EOS-2-34143,c1ccc(-n2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)cc1,RYMVITXNMGNPGJ-UHFFFAOYSA-N,2,1,0.329,30,298,421.489,4.768,6,0.41,0.74,1.0,0.023678980193269823,0.06125351243917483,0.49743848947981634,0.536700705914605,0.2797679220067165
EOS-2-34144,c1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccsc6)cn5)n34)cc2)ccn1,ITNQIRWTQJSTGG-UHFFFAOYSA-N,2,1,0.32,42,174,421.489,4.768,6,0.41,0.68,1.0,0.06252998423685834,0.10563874991433075,0.6401206223014186,0.6560808032348708,0.36609253992186963
EOS-2-34145,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)cc1,KAHSTZFVRQIUJM-UHFFFAOYSA-N,2,1,0.324,30,668,421.489,4.768,6,0.41,0.77,1.0,0.01267048180385169,0.0612620793639915,0.5117195531492016,0.5335823452813379,0.27980861489959563
EOS-2-34146,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,ZTQYWAGRISMCRR-UHFFFAOYSA-N,2,1,0.31,9,556,421.489,4.972,6,0.434,0.76,1.0,0.14693989445548625,0.19588273593310945,0.6163474059351655,0.6389555205263519,0.3995313892125283
EOS-2-34147,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)n[nH]1,ZRUHKYRFZQMDCD-UHFFFAOYSA-N,2,1,0.31,69,898,421.489,4.972,6,0.434,0.75,1.0,0.13092831197313412,0.20062881228154342,0.6630028784867384,0.6705931738743061,0.41628829415393054
EOS-2-34148,c1cn(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cc2)cn1,CBHQPXNRYLENAA-UHFFFAOYSA-N,2,1,0.315,69,898,421.489,4.768,6,0.41,0.75,1.0,0.04301452950448907,0.049799533959289974,0.6710900555136728,0.6619748475087383,0.35646974162154754
EOS-2-34149,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)cn2)cc1,PHTQGJMMPFYPFF-UHFFFAOYSA-N,2,1,0.312,30,195,421.489,4.768,6,0.41,0.7,0.976,4.283462408333905e-05,0.0030326913851004044,0.4086080460557878,0.4691248029607292,0.2202020937564252
EOS-2-34150,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)cn2)cc1,SIPPIUSURZDGDN-UHFFFAOYSA-N,2,1,0.298,30,195,421.489,4.768,6,0.41,0.79,1.0,0.0005996847371667467,0.015454732369268727,0.5254180659310533,0.5789356452607772,0.2801020320745665
EOS-2-34151,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)cn2)cc1,BLKUJNAZHZZQGJ-UHFFFAOYSA-N,2,1,0.329,30,668,421.489,4.768,6,0.41,0.72,1.0,0.009003837982317867,0.07974950311836064,0.5817798642999109,0.6094167637584813,0.3199874922897677
EOS-2-34152,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)cc2)o1,HNBZQFGJRHSJEY-UHFFFAOYSA-N,2,1,0.377,69,958,421.485,5.842,6,0.358,0.73,1.0,0.19156500582550887,0.17868891782605717,0.820351586594476,0.8258172846275101,0.5041056987183881
EOS-2-34153,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)cc2)co1,VFNCTDGQACJGPB-UHFFFAOYSA-N,2,1,0.333,69,958,421.485,5.842,6,0.358,0.78,1.0,0.18026523199232403,0.19124802960729217,0.8048711534507573,0.8139006922075251,0.49757127681447466
EOS-2-34154,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)cc5)n34)s2)nc1,LMODPJZBROKSHI-UHFFFAOYSA-N,2,1,0.314,32,126,421.485,5.842,6,0.358,0.8,1.0,0.08668871221986156,0.0960694948941128,0.6401291892262353,0.6825697347680076,0.37636428277705436
EOS-2-34155,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)s5)n34)nc2)cc1,URLVTRUCQROTRE-UHFFFAOYSA-N,2,1,0.304,32,126,421.485,5.842,6,0.358,0.77,1.0,0.09408196833664588,0.10564731683914742,0.6130662737303817,0.6734630936878898,0.3715646631485162
EOS-2-34156,COc1cc(-c2nnc3cncc(Oc4ccc(-c5cnn(C)c5)cc4)n23)ccc1-c1cnn(C)c1,ISNGEZJEADYINR-UHFFFAOYSA-N,2,1,0.513,67,722,478.516,4.393,6,0.35,0.67,1.0,0.34534130628469606,0.20513501473511067,0.6603728325680214,0.47519018573093,0.4215098348296895
EOS-2-34157,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6c(C)noc6C)cc5)n34)nc2)n[nH]1,LCXHCCPITNSODB-UHFFFAOYSA-N,2,1,0.402,89,348,478.516,4.736,6,0.365,0.69,0.091,0.3635288876704818,0.210026728805428,0.3758481255568501,0.2590295387567679,0.30210832019738193
EOS-2-34158,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnc(C)n6C)c5)n34)cc2)o1,OVJBICBQMSOUFW-UHFFFAOYSA-N,2,1,0.517,77,755,478.516,4.438,6,0.346,0.7,1.0,0.4196765129189226,0.26078575834418477,0.28697484750873825,0.212476869302995,0.29497849701871015
EOS-2-34159,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cc7ccncc7nn6)c5)n34)cc2)nc1,TTZKMNKCJWWOFD-UHFFFAOYSA-N,2,1,0.277,69,695,478.519,5.526,7,0.328,0.61,1.0,0.2053406209307107,0.1958913028579261,0.6929100130217257,0.7265865944760469,0.45518213282160236
EOS-2-34160,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cc7ccncc7nn6)n5)n34)cc2)cc1,VCTXZHKFFJCTSZ-UHFFFAOYSA-N,2,1,0.325,93,993,478.519,5.526,7,0.328,0.71,0.982,0.24663319854704954,0.2303817421698307,0.619251593448016,0.685473922280858,0.44543511411143855
EOS-2-34161,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccn5C)nc4)n23)cc1,XWKPVIBCPGHLRL-UHFFFAOYSA-N,2,1,0.534,56,415,478.52,3.444,6,0.343,0.56,1.0,0.4522565279967103,0.17448255774107327,0.15796552669453773,0.11494243026523199,0.22491176067438834
EOS-2-34162,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnn(C)c6)cn5)n34)cc2)n(C)n1,XSJZNOOKBBCMDH-UHFFFAOYSA-N,2,1,0.517,56,415,478.52,3.27,6,0.358,0.69,1.0,0.3107394969501748,0.20063737920636007,0.20070591460489343,0.1261908025495168,0.20956839832773627
EOS-2-34163,CCn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)n2)cn1,KZRRMTCWNQQLNW-UHFFFAOYSA-N,2,1,0.408,56,350,478.52,3.444,6,0.343,0.7,1.0,0.26528339387293537,0.21003529573024468,0.18364060037009114,0.12410903981906654,0.1957670824480844
EOS-2-34164,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n(C)n2)n1C,DZMPTDQJFKHOGP-UHFFFAOYSA-N,2,1,0.394,81,363,478.52,3.27,6,0.358,0.61,0.995,0.27556370365293675,0.2303903090946474,0.05248954835172367,0.053688917826057156,0.15303311973134123
EOS-2-34165,CCc1nc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)ccc1-c1cnn(C)c1,SHSSACRISQZNMI-UHFFFAOYSA-N,2,1,0.379,6,547,478.52,3.309,6,0.343,0.61,0.993,0.14145706257281887,0.11510520183674867,0.18035090124049072,0.11495099719004866,0.13796604071002672
EOS-2-34166,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cnn(C)c6)nc5)n34)nc2)cn1,MEXTZEQCGMGHCF-UHFFFAOYSA-N,2,1,0.459,6,549,478.52,3.004,6,0.344,0.68,1.0,0.41507607429237203,0.16991638681378932,0.2940168597080392,0.19208758823932562,0.2677742272633815
EOS-2-34167,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnn(C)c5)n4)n23)cn1,OJRKCJNJMWZREE-UHFFFAOYSA-N,2,1,0.394,6,843,478.52,3.444,6,0.343,0.66,1.0,0.24664176547186623,0.1545130559934206,0.21781406346377905,0.13690802549516826,0.18896922760605853
EOS-2-34168,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nc(-c6cccnc6)nn5C)n34)cc2)n1,UOWCPRXRMDRSGB-UHFFFAOYSA-N,2,1,0.477,56,415,478.52,3.004,6,0.344,0.59,1.0,0.41061270646288806,0.3657905558220821,0.06390925913234186,0.06115927626619149,0.22536794942087585
EOS-2-34169,CCOc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,WCQRUALNQPOSQT-UHFFFAOYSA-N,2,1,0.387,67,642,478.52,3.448,6,0.358,0.63,1.0,0.1802737989171407,0.06127064628880817,0.2178226303885957,0.16467342882598862,0.15601012610513332
EOS-2-34170,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cccc(-c5cnn(C)c5)n4)n23)c1,WALMCMDOZYWVSJ-UHFFFAOYSA-N,2,1,0.388,80,549,478.52,3.444,6,0.343,0.66,1.0,0.16091254883147146,0.10907408676581454,0.2644267013912686,0.17281200740182304,0.1768063360975944
EOS-2-34171,N#Cc1cc(COc2cncc3nnc(-c4cc(-c5cnn(C6CCNCC6)c5)ccn4)n23)ccn1,KGRKHMUUYJGNLZ-UHFFFAOYSA-N,2,1,0.327,92,711,478.52,2.82,6,0.391,0.72,1.0,0.09881947776026317,0.001841888835583579,0.07651977246247688,0.13264169693646768,0.07745570899869783
EOS-2-34172,Cc1c(-c2cncc3nnc(-c4c(-c5ccccc5)nn(C)c4C)n23)c(-c2ccc(F)cc2)nn1C,SHVPFSUALMTKGD-UHFFFAOYSA-N,2,1,0.365,3,598,478.535,5.015,6,0.356,0.68,1.0,0.07586868617641011,0.219981495442396,0.23584744020286477,0.3105938592282914,0.21057287026249058
EOS-2-34173,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)cc1,NQNFOMWPJVZJTH-UHFFFAOYSA-N,2,1,0.689,91,309,421.464,3.685,5,0.415,0.79,1.0,0.9414279350284422,0.757787334658351,0.7539921869645672,0.6764872181481736,0.7824236686998834
EOS-2-34174,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(C#N)cc3C)n12,ZZIQWWKLAVVLTN-UHFFFAOYSA-N,2,1,0.345,61,697,421.464,4.048,5,0.435,0.76,1.0,0.2978548420259064,0.11212391200054829,0.7109005551367281,0.5821225412925776,0.4257504626139401
EOS-2-34175,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C#N)cc5)n34)cc2)cn1,FCRVBTRRRYFNIQ-UHFFFAOYSA-N,2,1,0.718,91,322,421.464,3.685,5,0.415,0.77,1.0,0.8767647865122336,0.7707319580563361,0.772539579192653,0.6939980124734425,0.7785085840586663
EOS-2-34176,Cn1nc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)cc1-c1ccccc1,VTMCVFZZFXPQPP-UHFFFAOYSA-N,2,1,0.615,19,54,421.464,3.685,5,0.415,0.79,0.999,0.5912291823726955,0.3610359125488315,0.5622215749434583,0.5596172297991913,0.5185259749160441
EOS-2-34177,Cn1nc(-c2nnc3cncc(OCCc4ccccc4C#N)n23)cc1-c1ccccc1,RWSCYAQSDVOYBT-UHFFFAOYSA-N,2,1,0.538,19,54,421.464,3.685,5,0.415,0.75,0.999,0.5059026111986841,0.29729799191282297,0.5117281200740182,0.5166626687684189,0.4578978479884861
EOS-2-34178,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(C#N)c4)n23)cc1,ZCRXFTQYZGLQDQ-UHFFFAOYSA-N,2,1,0.689,91,309,421.464,3.685,5,0.415,0.74,1.0,0.9565057227057775,0.7213779041875128,0.6656243574806388,0.5972602974436296,0.7351920704543896
EOS-2-34179,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cc5)n34)cc2)cc1,UHTHQRUTPKFBLN-UHFFFAOYSA-N,2,1,0.615,17,593,478.537,5.681,6,0.292,0.82,1.0,0.5183589198821191,0.3896408745116853,0.7160835446508121,0.679468507984374,0.5758879617572477
EOS-2-34180,O=c1ccccn1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cc1,UQGABNYCGNFKKZ-UHFFFAOYSA-N,2,1,0.545,41,592,478.537,4.645,6,0.347,0.64,1.0,0.3333647453909944,0.21999006236721266,0.6337382633130012,0.5944075114796793,0.44537514563772196
EOS-2-34181,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)nc1F,UCEKFGSKIJAKFE-UHFFFAOYSA-N,2,1,0.429,31,773,421.461,3.409,5,0.391,0.65,1.0,0.5766140086354602,0.4799276951545473,0.3680008224247824,0.3325337536837777,0.4392690699746419
EOS-2-34182,Cn1nc(-c2nnc3cncc(OCCc4cccs4)n23)cc1-c1ccc(F)nc1,PYGPRNYFPHVWBD-UHFFFAOYSA-N,2,1,0.539,95,235,421.461,3.409,5,0.391,0.77,0.999,0.4884774861215818,0.4315502707148242,0.2869834144335549,0.2917551915564389,0.37469159070659996
EOS-2-34183,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)cc2F)n1,KVXMJEUVXXMUOS-UHFFFAOYSA-N,2,1,0.634,37,563,421.461,3.409,5,0.418,0.69,1.0,0.8085977657460078,0.7876944691933384,0.3085463641971078,0.3010074703584401,0.5514615173737235
EOS-2-34184,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)s4)n23)cc1,YXXOEBKFQUFBJQ-UHFFFAOYSA-N,2,1,0.512,36,734,421.461,3.849,5,0.414,0.63,1.0,0.6699078198889726,0.5528579261188403,0.3306918648481941,0.31681344664519223,0.4675677643752998
EOS-2-34185,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)nn2C)cc1F,BDQXSMFERLCTEK-UHFFFAOYSA-N,2,1,0.56,95,694,421.461,3.675,5,0.431,0.67,0.999,0.32072853128640944,0.35138098828044684,0.34161469398944555,0.3043400041121239,0.3295160544171064
EOS-2-34186,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccc2F)cn1,QHAFDRDQHFCTKX-UHFFFAOYSA-N,2,1,0.524,16,394,421.461,3.849,5,0.414,0.69,1.0,0.4498235213487766,0.4982951819614831,0.4382067712973751,0.4090706599958879,0.4488490336508807
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EOS-2-34238,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccsc5)n34)c2)cc1F,ZFZAVIYMRLGJCH-UHFFFAOYSA-N,2,1,0.476,59,153,421.432,4.772,5,0.409,0.76,1.0,0.7152097183195121,0.6541189774518539,0.8962716743197862,0.8944640531834692,0.7900161058186553
EOS-2-34239,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1,PZMKVFWGXPCEJD-UHFFFAOYSA-N,2,1,0.476,59,109,421.432,4.772,5,0.409,0.77,1.0,0.739608320197382,0.6732489205674731,0.8913456925502021,0.8944726201082859,0.7996688883558358
EOS-2-34240,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)s4)n23)cc1,VARCGSRPHWVZKC-UHFFFAOYSA-N,2,1,0.514,76,126,421.432,5.183,5,0.391,0.77,1.0,0.45674559660064423,0.6438129668974025,0.8913542594750189,0.880748406551984,0.7181653073812625
EOS-2-34241,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4)n23)cc1,RZGUNFPRWZUPKN-UHFFFAOYSA-N,2,1,0.529,9,558,421.432,5.183,5,0.391,0.79,1.0,0.47086388869851276,0.6438215338222192,0.9390034953053252,0.9264186827496402,0.7450269001439244
EOS-2-34242,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ccn2)cc1F,YUFHGWVFGDGJDR-UHFFFAOYSA-N,2,1,0.562,97,183,421.432,4.772,5,0.409,0.77,1.0,0.8807055719279008,0.7877030361181551,0.905198409978754,0.8960232335001028,0.8674075628812282
EOS-2-34243,Fc1ccc(F)c(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)c1,PMDOXVMRMHKFIT-UHFFFAOYSA-N,2,1,0.57,57,951,421.432,4.772,5,0.409,0.8,1.0,0.9155386882324721,0.8721386471112329,0.8985333424713865,0.8944811870331026,0.8951729662120486
EOS-2-34244,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,LNDKFFQOZTVDJO-UHFFFAOYSA-N,2,1,0.304,25,508,421.428,2.434,6,0.46,0.67,1.0,0.12794702213693374,0.08661160989651155,0.1518744431498869,0.1783034062093071,0.13618412034815983
EOS-2-34245,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccncc5)n4)n23)cc1,QNNZIXYQCTXWAS-UHFFFAOYSA-N,2,1,0.312,8,927,421.428,2.23,6,0.425,0.72,1.0,0.014135425947501884,0.014084024398601878,0.0765369063121102,0.08943012816119526,0.04854662120485231
EOS-2-34246,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,TZKRGIJLTQUKOW-UHFFFAOYSA-N,2,1,0.282,98,7,421.428,2.434,6,0.46,0.62,1.0,0.10401960112398054,0.0832705092180111,0.14265643204715237,0.14890172023850318,0.1197120656569118
EOS-2-34247,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cn1,SNHXSWCAUMOVIZ-UHFFFAOYSA-N,2,1,0.308,10,37,421.428,2.229,6,0.425,0.75,0.907,0.009012404907134536,0.014092591323418545,0.07237338085120965,0.09929065862517991,0.04869225892673566
EOS-2-34248,Cn1cncc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,LYVOJABBERSJOY-UHFFFAOYSA-N,2,1,0.286,98,42,421.428,2.434,6,0.46,0.61,1.0,0.13874991433075184,0.08327907614282777,0.16440785415667192,0.1515831677061202,0.13450500308409294
EOS-2-34249,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4nn[nH]n4)nc3)n12,XKZNFEUVHYRBAT-UHFFFAOYSA-N,2,1,0.267,98,880,421.428,2.434,6,0.46,0.73,0.295,0.05716708930162429,0.06127921321362484,0.07654547323692687,0.11495956411486533,0.07748783496676033
EOS-2-34250,Cc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n1,UZIOYVFPAGKHQG-UHFFFAOYSA-N,2,1,0.26,56,7,421.428,2.528,6,0.46,0.61,1.0,0.00442053320540059,0.016962511137002263,0.127501542046467,0.112569392091015,0.06536349461997121
EOS-2-34251,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)nn1,BOCULJWMPKWMED-UHFFFAOYSA-N,2,1,0.309,9,508,421.428,2.434,6,0.46,0.72,1.0,0.07798471660612706,0.0797580700431773,0.23236070180248097,0.24140737440888219,0.15787771571516687
EOS-2-34252,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)nc2)nn1,VQDUKFZAOVCROC-UHFFFAOYSA-N,2,1,0.279,98,882,421.428,2.434,6,0.46,0.61,1.0,0.062538551161675,0.04981666780892331,0.2215749434582962,0.22355390309094647,0.13937101637996024
EOS-2-34253,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,DLSGLJSYZKOKNZ-UHFFFAOYSA-N,2,1,0.312,25,508,421.428,2.434,6,0.46,0.69,1.0,0.09882804468507984,0.06541703790007539,0.13982077993283532,0.17282057432663972,0.11922160921115757
EOS-2-34254,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)nc5)n34)cc2)n[nH]1,KIJWDGLWXNPVIG-UHFFFAOYSA-N,2,1,0.275,98,7,421.428,2.732,6,0.443,0.61,1.0,0.09409053526146255,0.11818929477074909,0.18364916729490782,0.17831197313412378,0.1435602426153108
EOS-2-34255,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n1,BLZVHODOTVMUDM-UHFFFAOYSA-N,2,1,0.277,98,727,421.428,2.434,6,0.46,0.59,1.0,0.14694846138030293,0.09278836268932904,0.1644164210814886,0.15944760468782126,0.14090021245973547
EOS-2-34256,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)c1,OZOSPQKPKNOFCC-UHFFFAOYSA-N,2,1,0.324,25,791,421.424,3.304,6,0.426,0.82,1.0,0.11963710506476595,0.06542560482489206,0.22491604413679667,0.25903810568158453,0.16725421492700981
EOS-2-34257,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,IZJJSJIVAJEKSK-UHFFFAOYSA-N,2,1,0.303,38,725,421.424,3.304,6,0.426,0.65,1.0,0.1581882667397711,0.07976663696799396,0.3531714755671304,0.319760468782126,0.2277217120142554
EOS-2-34258,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)no1,MYMZNQORPFKFFB-UHFFFAOYSA-N,2,1,0.352,25,791,421.424,3.304,6,0.426,0.82,1.0,0.11444554862586526,0.1090826536906312,0.1518830100747036,0.2563652251387842,0.15794410938249603
EOS-2-34259,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)on2)nn1,PUVTYKGJZJXZBB-UHFFFAOYSA-N,2,1,0.295,38,725,421.424,3.304,6,0.426,0.66,1.0,0.05040778562127339,0.06128778013844151,0.23236926872729766,0.26232780481118495,0.15159815982454938
EOS-2-34260,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,IXTAYTQBUXGGKO-UHFFFAOYSA-N,2,1,0.329,9,642,421.424,3.304,6,0.426,0.72,1.0,0.1309368788979508,0.06129634706325817,0.29041018436022203,0.29474504831745596,0.19434711465972174
EOS-2-34261,Cn1nc(-c2cccnc2)cc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,DVFYYWYQHLJPSA-UHFFFAOYSA-N,2,1,0.293,38,63,421.424,3.304,6,0.426,0.73,1.0,0.06994894112809266,0.06543417174970872,0.2870005482831883,0.2770286477965869,0.17485307723939414
EOS-2-34262,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cncnc5-n5cccn5)n34)cc2)o1,HEQYVTRJCLNIRK-UHFFFAOYSA-N,2,1,0.296,42,303,421.424,3.397,6,0.426,0.67,1.0,0.035561304913988075,0.07277602631759304,0.2572647522445343,0.2386059899938318,0.15105201836748683
EOS-2-34263,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)o1,WQMWMVWNFVBFJF-UHFFFAOYSA-N,2,1,0.301,9,537,421.424,3.602,6,0.458,0.68,1.0,0.17715543828387362,0.15823110136385443,0.29041875128503875,0.2710746350490028,0.22421998149544237
EOS-2-34264,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nn2)n1,NJMCBJULLJOIFZ-UHFFFAOYSA-N,2,1,0.31,98,63,421.424,3.304,6,0.426,0.72,1.0,0.08925022274004524,0.03584401343293811,0.23585600712768146,0.26233637173600166,0.15582165375916662
EOS-2-34265,Cn1nncc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)no1,CWILMRMXEAQUKV-UHFFFAOYSA-N,2,1,0.312,38,725,421.424,3.304,6,0.426,0.7,1.0,0.0738211911452265,0.08662017682132822,0.30132444657665686,0.3358834212870948,0.1994123089575766
EOS-2-34266,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)n1,QOWPRHNIRBELDD-UHFFFAOYSA-N,2,1,0.306,38,787,421.424,3.304,6,0.426,0.67,1.0,0.12505996847371667,0.08328764306764444,0.32333287643067643,0.2830511959427044,0.2036829209786855
EOS-2-34267,COc1cc(C#N)cc(-c2nnc3cncc(-c4ccc(-c5ncc(C)nn5)nc4)n23)c1,LWKDGQNRLWGQLE-UHFFFAOYSA-N,2,1,0.337,50,216,421.424,2.894,5,0.43,0.75,1.0,0.27851072578987046,0.20064594613117676,0.3833184839969844,0.3168220135700089,0.29482429237201013
EOS-2-34268,Cn1cncc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)cnn1,VNJAHNNJLHPSSP-UHFFFAOYSA-N,2,1,0.29,38,725,421.424,3.304,6,0.426,0.68,1.0,0.11716983071756562,0.053628949352340485,0.33799088479199507,0.30746693167020767,0.20406414913302723
EOS-2-34269,Cn1cc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)no2)cn1,ZKPSPALZQIJLAO-UHFFFAOYSA-N,2,1,0.303,38,725,421.424,3.304,6,0.426,0.83,1.0,0.08234528133781098,0.08972997052977863,0.18035946816530737,0.20338736207251046,0.13895552052635185
EOS-2-34270,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccn6)nn5)n34)cc2)o1,OAYLHLDOTYFKQU-UHFFFAOYSA-N,2,1,0.333,38,303,421.424,3.397,6,0.426,0.66,1.0,0.018504557604002467,0.06130491398807484,0.22158351038311289,0.21795113426084572,0.12983602905900898
EOS-2-34271,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)cn1,OGRJWHUOXJOOLX-UHFFFAOYSA-N,2,1,0.32,30,945,421.424,3.304,6,0.426,0.76,0.732,0.1554725515728874,0.08662874374614489,0.11653587828113221,0.13462065656911795,0.12331445754232062
EOS-2-34272,Cc1noc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)n1,PZFNTPJHKQEBMS-UHFFFAOYSA-N,2,1,0.312,38,865,421.424,3.602,6,0.458,0.62,1.0,0.23848605304639847,0.21004386265506134,0.19362106778150914,0.2033959289973271,0.21138672812007403
EOS-2-34273,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccc(C#N)cc5)nn4)n23)n1,CLUCXMCPLDIMIZ-UHFFFAOYSA-N,2,1,0.409,89,670,421.424,2.797,5,0.421,0.72,0.988,0.596994722774313,0.5114368446302515,0.3307004317730108,0.29795764512370637,0.43427241107532044
EOS-2-34274,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)nc5)n34)cc2)nn1,XOBZUGASUNPTMW-UHFFFAOYSA-N,2,1,0.326,38,725,421.424,3.304,6,0.426,0.62,1.0,0.0892587896648619,0.0727845932424097,0.3233414433554931,0.3010160372832568,0.1966002158865054
EOS-2-34275,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2)o1,HOQGEKVFFLNCJY-UHFFFAOYSA-N,2,1,0.278,38,303,421.424,3.602,6,0.458,0.59,1.0,0.1831522856555411,0.18711020492084163,0.3270509218011103,0.2799756699335207,0.2443222705777534
EOS-2-34276,Cn1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)cn1,FCLRWWUBOJAFAV-UHFFFAOYSA-N,2,1,0.26,42,72,421.424,3.304,6,0.426,0.74,1.0,0.08017784935919402,0.024886916592419987,0.34534130628469606,0.3291669522308272,0.19489325611678432
EOS-2-34277,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)c2)nn1,VNOROQJXMOWDRG-UHFFFAOYSA-N,2,1,0.279,98,63,421.424,3.304,6,0.426,0.7,1.0,0.03430196696593791,0.015463299294085395,0.30856349804674116,0.332550887533411,0.17271991296004385
EOS-2-34278,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnco5)c4)n23)cc1,IJGAVJDDIHMCCC-UHFFFAOYSA-N,2,1,0.337,25,791,421.424,3.304,6,0.426,0.8,1.0,0.15819683366458775,0.049825234733739975,0.27945308751970394,0.31976903570694265,0.2018110479062436
EOS-2-34279,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)n1,ZPPSYOIQTWUVBK-UHFFFAOYSA-N,2,1,0.32,38,63,421.424,3.304,6,0.426,0.74,1.0,0.13635117538208485,0.07279316016722637,0.2904273182098554,0.28305976286752105,0.19565785415667192
EOS-2-34280,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)c1,VNUBLNBVSBQCSV-UHFFFAOYSA-N,2,1,0.324,25,791,421.424,3.304,6,0.426,0.74,1.0,0.11964567198958262,0.06131348091289151,0.257273319169351,0.3010246042080735,0.18481426906997467
EOS-2-34281,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)nc4)n23)cc1,ZHXJDFROKBAFRX-UHFFFAOYSA-N,2,1,0.307,42,725,421.424,3.304,6,0.426,0.71,1.0,0.1040281680487972,0.049833801658556644,0.35318004249194707,0.3291755191556439,0.2090543828387362
EOS-2-34282,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)cc2)o1,HVZJWAQZIGLYOE-UHFFFAOYSA-N,2,1,0.301,9,894,421.424,3.602,6,0.458,0.62,1.0,0.11137858954149818,0.1428877390172024,0.3379994517168117,0.3259714892742101,0.22955931738743057
EOS-2-34283,Cn1nncc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)cn1,BOVQOIDFIFSOND-UHFFFAOYSA-N,2,1,0.286,42,106,421.424,3.304,6,0.426,0.68,1.0,0.06254711808649167,0.02697724624768693,0.22159207730792954,0.2770372147214036,0.14703841409087792
EOS-2-34284,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)n1,AWVRXUGKTUXQOP-UHFFFAOYSA-N,2,1,0.303,38,746,421.424,3.304,6,0.426,0.76,1.0,0.07587725310122678,0.05744979782057433,0.14869611404290317,0.2092300047974779,0.12281329244054554
EOS-2-34285,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cn1,JUNGSMLWAFEUSM-UHFFFAOYSA-N,2,1,0.466,54,411,421.424,2.531,5,0.406,0.66,0.972,0.7918751285038722,0.6246316222328833,0.31976903570694265,0.2947536152422726,0.5077573504214927
EOS-2-34286,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)nc1,UMHDOMIDLKRVAY-UHFFFAOYSA-N,2,1,0.308,38,725,421.424,3.304,6,0.426,0.75,1.0,0.18028236584195736,0.07280172709204304,0.28700911520800493,0.2858954149818381,0.20649715578096087
EOS-2-34287,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)nn1,HEHJTPFJQYJMJU-UHFFFAOYSA-N,2,1,0.297,38,787,421.424,3.304,6,0.426,0.69,1.0,0.07382975807004317,0.053637516277157155,0.28329106983757113,0.2590466726064012,0.16745125419779316
EOS-2-34288,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)ccn2)n1,ZHSXUTHLMQGUOR-UHFFFAOYSA-N,2,1,0.571,7,99,421.424,2.797,5,0.421,0.68,1.0,0.5941676375848125,0.4269498320882736,0.40148893153313686,0.3074754985950243,0.4325204749503118
EOS-2-34289,c1ccn2c(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nnc2c1,ZOLFWMGZYMFHHF-UHFFFAOYSA-N,2,1,0.427,56,868,421.424,2.87,6,0.418,0.7,1.0,0.42200671646905624,0.39434411623603594,0.25728188609416763,0.2979662120485231,0.34289973271194574
EOS-2-34290,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cccnc5C#N)n34)ccn2)ncn1,HZUFZJDHJNCBEF-UHFFFAOYSA-N,2,1,0.467,75,99,421.424,2.797,5,0.421,0.65,1.0,0.5794239599753273,0.4086080460557878,0.37195017476526626,0.2770457816462203,0.40925699061065046
EOS-2-34291,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,PGQCJODUGOYVRS-UHFFFAOYSA-N,2,1,0.333,25,791,421.424,3.304,6,0.426,0.84,1.0,0.1387584812555685,0.057458364745391,0.2794616544445206,0.3168305804948256,0.19812727023507642
EOS-2-34292,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cn1,YXWRNNFBGQDYIJ-UHFFFAOYSA-N,2,1,0.307,38,725,421.424,3.304,6,0.426,0.68,1.0,0.17438832156808992,0.07633130011651018,0.2718285244328696,0.24706154478788295,0.19240242272633817
EOS-2-34293,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)o1,BBYUNSBGIKBLSB-UHFFFAOYSA-N,2,1,0.287,38,154,421.424,3.602,6,0.458,0.64,1.0,0.21626345007196218,0.20514358165992735,0.3197776026317593,0.27705434857103695,0.25455974573367146
EOS-2-34294,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(C#N)c5)n34)ncn2)cn1,UPPOMHLOORTAIJ-UHFFFAOYSA-N,2,1,0.43,44,238,421.424,2.797,5,0.421,0.66,1.0,0.5656483448701254,0.4086166129806045,0.4487697895963265,0.34200877253101225,0.44126087999451713
EOS-2-34295,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnnn5-c5ccccc5)n34)cc2)o1,HAODRCMDAPFYON-UHFFFAOYSA-N,2,1,0.34,3,158,421.424,3.397,6,0.426,0.75,1.0,0.07194503461037625,0.08663731067096155,0.16754334863957235,0.21248543622781166,0.13465278253718047
EOS-2-34296,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cc5)n34)cc2)n1,ULHXWABFHORGGN-UHFFFAOYSA-N,2,1,0.32,9,98,421.424,3.304,6,0.426,0.71,1.0,0.15284250565417037,0.07977520389281063,0.24303509012404906,0.2470701117126996,0.18068072784593242
EOS-2-34297,N#Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,JXRJKSIATPBKDP-UHFFFAOYSA-N,2,1,0.476,18,840,421.424,2.531,5,0.406,0.71,1.0,0.6364625454047015,0.47098382564594615,0.3531886094167638,0.2947621821670893,0.4388492906586252
EOS-2-34298,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,QCQZXWVRKSAETB-UHFFFAOYSA-N,2,1,0.274,42,339,421.424,3.304,6,0.426,0.68,1.0,0.04009320814200534,0.02032074566513604,0.33462408333904464,0.33255945445822765,0.18189937290110342
EOS-2-34299,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1,SACMNJNQYGVYLM-UHFFFAOYSA-N,2,1,0.319,9,642,421.424,3.304,6,0.426,0.7,1.0,0.16356829552463847,0.0927969296141457,0.30504249194709065,0.3043485710369406,0.21643907203070387
EOS-2-34300,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)ccn2)nn1,NWZUBNDEGJVWND-UHFFFAOYSA-N,2,1,0.296,42,725,421.424,3.304,6,0.426,0.72,1.0,0.07588582002604345,0.04250908094030567,0.33070899869782744,0.32277602631759306,0.19296998149544242
EOS-2-34301,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)nc2)n[nH]1,HWOMPRJVRIHJFS-UHFFFAOYSA-N,2,1,0.286,70,687,421.424,3.602,6,0.458,0.71,0.992,0.11138715646631485,0.12155609622369955,0.20410698375711056,0.2034044959221438,0.1601136830923172
EOS-2-34302,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)no2)nn1,GVXYRBBMUOOQRP-UHFFFAOYSA-N,2,1,0.303,38,725,421.424,3.304,6,0.426,0.72,1.0,0.06798711534507573,0.0654427386745254,0.2832996367623878,0.31683914741964225,0.18339215955040777
EOS-2-34303,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cn2)cn1,VWOYWZLFUYWJMM-UHFFFAOYSA-N,2,1,0.304,70,899,421.424,3.304,6,0.426,0.7,1.0,0.09409910218627922,0.06132204783770818,0.3680093893495991,0.3137464875608252,0.2092942567336029
EOS-2-34304,Cc1nc(-c2cccnc2)c(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)o1,UASGEXAKFFXZCM-UHFFFAOYSA-N,2,1,0.262,9,7,421.424,3.602,6,0.458,0.63,1.0,0.1015266260023302,0.11213247892536495,0.19362963470632583,0.20923857172229457,0.1541318278390789
EOS-2-34305,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nc1,HHVAWSWAMBULDD-UHFFFAOYSA-N,2,1,0.484,54,411,421.424,2.531,5,0.406,0.78,1.0,0.6791001302172572,0.5713796175724762,0.2977777397025564,0.294770749091906,0.46075705914604903
EOS-2-34306,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)n[nH]1,JEQMMOHSBDPMNK-UHFFFAOYSA-N,2,1,0.301,9,537,421.424,3.602,6,0.458,0.72,1.0,0.18029093276677405,0.14654581591391955,0.3013330135014735,0.27998423685833734,0.22703849976012613
EOS-2-34307,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)nc1,UPXJTAPKCJKZJQ-UHFFFAOYSA-N,2,1,0.304,38,725,421.424,3.304,6,0.426,0.7,1.0,0.07589438695086012,0.06545130559934206,0.3494448632718799,0.33589198821191146,0.2066706360084984
EOS-2-34308,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nc[nH]n6)c5)n34)cc2)no1,XUXLVXXENBMRMH-UHFFFAOYSA-N,2,1,0.312,9,7,421.424,3.602,6,0.458,0.71,1.0,0.20826194229319445,0.169924953738606,0.26100849838941814,0.25317832910698373,0.22309343088205058
EOS-2-34309,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)n1,CETQXMVLGQMVEN-UHFFFAOYSA-N,2,1,0.319,9,537,421.424,3.602,6,0.458,0.62,1.0,0.20255637036529367,0.16592419984922213,0.2870176821328216,0.2652748269481187,0.230193269823864
EOS-2-34310,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)no2)nn1,FGXXNCYMEZOZDR-UHFFFAOYSA-N,2,1,0.312,38,787,421.424,3.304,6,0.426,0.67,1.0,0.08235384826262765,0.06133061476252485,0.2323778356521143,0.2623449386608183,0.15960180933452128
EOS-2-34311,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,GGECOOHDSLBQSU-UHFFFAOYSA-N,2,1,0.319,38,42,421.424,3.304,6,0.426,0.63,1.0,0.1771640052086903,0.0797837708176273,0.27947022136933725,0.25637379206360084,0.19819794736481394
EOS-2-34312,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)no2)nn1,MKDMJXMNDSJSSY-UHFFFAOYSA-N,2,1,0.312,38,725,421.424,3.304,6,0.426,0.71,1.0,0.07590295387567679,0.0728102940168597,0.29402542663285586,0.3259800561990268,0.1921796826811048
EOS-2-34313,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4)n23)nn1,KFUOKMQNGCRRSM-UHFFFAOYSA-N,2,1,0.261,38,369,421.424,3.304,6,0.426,0.59,0.975,0.11139572339113152,0.02255671304228634,0.19363820163114248,0.2208296209992461,0.1371050647659516
EOS-2-34314,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)o4)n23)c1,NVNZOXCVKODRKI-UHFFFAOYSA-N,2,1,0.305,76,272,421.424,3.304,6,0.426,0.68,1.0,0.06255568501130834,0.014101158248235213,0.21132033445274484,0.22976492358303063,0.12943552532382974
EOS-2-34315,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cccc(C#N)c5)n34)ncn2)n1,HLKBUCWQCWIXPP-UHFFFAOYSA-N,2,1,0.379,46,395,421.424,2.797,5,0.421,0.62,0.892,0.6082944966074978,0.3563069700500308,0.405121307655404,0.3581060242615311,0.43195719964361595
EOS-2-34316,Cn1nccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cnn1,ZQXVHZYRHIXXSY-UHFFFAOYSA-N,2,1,0.293,42,725,421.424,3.304,6,0.426,0.76,1.0,0.09176889863614557,0.05364608320197382,0.36801795627441575,0.34520423548762935,0.2146592934000411
EOS-2-34317,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)no1,HLTCLZKMEQRBCB-UHFFFAOYSA-N,2,1,0.36,3,39,421.424,3.397,6,0.426,0.74,1.0,0.03431053389075457,0.03875676787060517,0.167551915564389,0.18932047152354192,0.10748492221232267
EOS-2-34318,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)cn1,IBAOWXYMANXLKB-UHFFFAOYSA-N,2,1,0.522,65,981,421.424,2.531,5,0.406,0.64,1.0,0.8549448290041807,0.80000514015489,0.3906260708656021,0.3197776026317593,0.591338410664108
EOS-2-34319,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)no1,RKPOBSGYCSHSJC-UHFFFAOYSA-N,2,1,0.308,38,193,421.424,3.304,6,0.426,0.7,1.0,0.11717839764238229,0.06133918168734151,0.18365773421972448,0.2267150983482969,0.1472226029744363
EOS-2-34320,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5conn5)n4)n23)cc1,QMRBSCSHIUSFMG-UHFFFAOYSA-N,2,1,0.338,38,865,421.424,3.304,6,0.426,0.64,1.0,0.15285107257898706,0.046321362483722844,0.2466246316222329,0.24707867863751629,0.17321893633061478
EOS-2-34321,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)nc2F)c[nH]1,MQXVGJFHLWSAQD-UHFFFAOYSA-N,2,1,0.396,46,62,421.421,2.23,5,0.416,0.6,1.0,0.44484613803029266,0.38030292646151737,0.20411555068192722,0.17832054005894044,0.30189628880816943
EOS-2-34322,Cc1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cc5)n34)nc2)n1,JSACQEMINACEHG-UHFFFAOYSA-N,2,1,0.29,32,532,421.42,4.472,6,0.41,0.73,1.0,0.12231855253238298,0.09280549653896238,0.4086166129806045,0.3778784867384004,0.2504047871975876
EOS-2-34323,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)cc2)o1,BBPHYTFGJZGEAP-UHFFFAOYSA-N,2,1,0.316,41,818,421.42,4.472,6,0.41,0.7,1.0,0.23849461997121513,0.1582396682886711,0.5254266328558701,0.44726201082859296,0.34235573298608735
EOS-2-34324,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)cc2)o1,IEKRGRZGECVDPY-UHFFFAOYSA-N,2,1,0.306,32,57,421.42,4.472,6,0.41,0.7,1.0,0.2053491878555274,0.1744996915907066,0.4907648550476321,0.42826913851004045,0.32472071825097665
EOS-2-34325,Cc1coc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cc2)n1,NIVOGAZGKCFRAH-UHFFFAOYSA-N,2,1,0.352,93,641,421.42,4.472,6,0.41,0.8,1.0,0.21355630182989513,0.1504094990062367,0.27183709135768624,0.27108320197381947,0.2267215235419094
EOS-2-34326,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)cn2)o1,UOXXIHKZIKPJGJ-UHFFFAOYSA-N,2,1,0.333,32,191,421.42,4.472,6,0.41,0.76,1.0,0.1888150229593585,0.1215646631485162,0.4234545267630731,0.3711620176821328,0.2762490576382702
EOS-2-34327,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)no2)o1,IPFKNLYDIIRSPH-UHFFFAOYSA-N,2,1,0.357,93,651,421.42,4.472,6,0.41,0.84,1.0,0.2191762045096292,0.19125659653210883,0.3085720649715578,0.3711705846069495,0.27254386265506136
EOS-2-34328,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)no1,KHVQUXNIDZOYNJ-UHFFFAOYSA-N,2,1,0.318,69,867,421.42,4.472,6,0.41,0.78,1.0,0.265291960797752,0.16211191830580496,0.4560602426153108,0.42496230553080666,0.3271066068124186
EOS-2-34329,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnoc6)cn5)n34)cc2)o1,KVKJNTIDCUVGTN-UHFFFAOYSA-N,2,1,0.316,41,818,421.42,4.472,6,0.41,0.72,1.0,0.2570334452744843,0.1659327667740388,0.5559334521280241,0.4844510314577479,0.3658376739085738
EOS-2-34330,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cc2)o1,LVLDJDVCPMKIHN-UHFFFAOYSA-N,2,1,0.31,42,57,421.42,4.472,6,0.41,0.77,1.0,0.24665033239668288,0.15824823521348777,0.5254351997806868,0.4472705777534096,0.34440108628606675
EOS-2-34331,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)no5)n34)cc2)o1,MFGNTOOLMPOWAN-UHFFFAOYSA-N,2,1,0.371,93,203,421.42,4.472,6,0.41,0.8,1.0,0.25704201219930095,0.18271537248989103,0.30505105887190737,0.30435713796175723,0.2622913953807141
EOS-2-34332,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)c2)o1,GFNVBUHUKWLROH-UHFFFAOYSA-N,2,1,0.322,69,598,421.42,4.472,6,0.41,0.76,1.0,0.16092111575628812,0.11512233568638201,0.3981478308546364,0.3648310602426153,0.25975558563498047
EOS-2-34333,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cc5)n34)cc2)n1,VKHPNAWDZOEXRE-UHFFFAOYSA-N,2,1,0.338,69,898,421.42,4.472,6,0.41,0.76,1.0,0.1858851346720581,0.1621204852306216,0.4418048797203756,0.4154273182098554,0.30130945445822765
EOS-2-34334,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)o1,BTTSBAGCLNZJHY-UHFFFAOYSA-N,2,1,0.306,9,894,421.42,4.472,6,0.41,0.71,1.0,0.22754609005551368,0.15825680213830443,0.5288876704818039,0.4628966486190117,0.3443968028236584
EOS-2-34335,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnco6)on5)n34)cc2)cc1,UWZOEUKEYADKKR-UHFFFAOYSA-N,2,1,0.326,93,74,421.42,4.472,6,0.41,0.76,1.0,0.16632684531560551,0.1827239394147077,0.4804759783428141,0.49645329312589953,0.33149501404975673
EOS-2-34336,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)nc2)o1,CXEJPQFJQLOSCL-UHFFFAOYSA-N,2,1,0.283,42,174,421.42,4.472,6,0.41,0.72,1.0,0.1609296826811048,0.09281406346377905,0.5082499485984511,0.45025186758961006,0.3030613905832362
EOS-2-34337,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)o2)cc1,DBEKJTKEFDXQEW-UHFFFAOYSA-N,2,1,0.253,69,30,421.416,5.079,6,0.423,0.69,1.0,0.2570505791241176,0.10909122061544788,0.7609142622164348,0.740045233363032,0.46677532382975806
EOS-2-34338,Cc1nc(-c2ccc(F)nc2F)c(-c2cncc3nnc(-c4ccccc4F)n23)n1C,LRRIGNFITSIYKG-UHFFFAOYSA-N,2,1,0.438,22,140,421.386,3.98,5,0.412,0.69,0.999,0.23582173942841478,0.40862517990542113,0.607335001028031,0.6794770749091906,0.4828147488177644
EOS-2-34339,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)nc1,QCDTUGOUNSNQGG-UHFFFAOYSA-N,2,1,0.325,50,315,421.386,4.331,5,0.432,0.73,1.0,0.28412206154478786,0.49337776711671577,0.9041789459255706,0.8807569734768008,0.6406089370159688
EOS-2-34340,Cn1nc(-c2nnc3cncc(OCc4cccnn4)n23)cc1-c1cnc(F)c(F)c1,CPDJKOFHFJEGEU-UHFFFAOYSA-N,2,1,0.441,53,694,421.371,2.234,5,0.398,0.68,0.957,0.31074806387499143,0.2869320128846549,0.35692378863683094,0.345212802412446,0.32495416695223084
EOS-2-34341,Cn1nc(-c2ncccn2)cc1-c1cncc2nnc(-c3ccc(OC(F)F)cn3)n12,QXNZLQIHYKZKMG-UHFFFAOYSA-N,2,1,0.307,50,542,421.371,2.645,5,0.426,0.72,1.0,0.23015043519978068,0.32248475087382633,0.39437838393530256,0.3744945514358166,0.33037703036118155
EOS-2-34342,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cn4)n23)cn1,RQRXDIWEULSRKR-UHFFFAOYSA-N,2,1,0.5,27,69,421.371,2.679,5,0.412,0.67,0.998,0.2731306970050031,0.3270337879514769,0.5817884312247276,0.4629052155438284,0.41121453293125904
EOS-2-34343,Cn1nc(COc2cncc3nnc(-c4ccc(-c5cccc(F)n5)nn4)n23)cc1F,LYVVHPAPPREZGI-UHFFFAOYSA-N,2,1,0.404,53,670,421.371,2.234,5,0.398,0.62,0.984,0.3820848468233843,0.34153759166609554,0.24304365704886574,0.2563823589884175,0.30576211363169076
EOS-2-34344,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,FLRGLVPDJANXDZ-UHFFFAOYSA-N,2,1,0.507,50,542,421.371,2.645,5,0.426,0.75,1.0,0.3635460215201151,0.42695839901309024,0.48048454526763074,0.47813720786786373,0.43728154341717496
EOS-2-34345,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nn4)n23)cc1F,HTISQXPIHSYTAC-UHFFFAOYSA-N,2,1,0.5,36,208,421.371,2.234,5,0.425,0.55,1.0,0.5059111781235008,0.5298557329860873,0.41571859365362207,0.4123603591254883,0.46596146597217464
EOS-2-34346,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)n1,YJFHEPXIZLKYOJ-UHFFFAOYSA-N,2,1,0.493,61,121,421.371,2.645,5,0.426,0.77,1.0,0.35202350764169693,0.41811733260228906,0.497447056404633,0.4844595983825646,0.4380118737577959
EOS-2-34347,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(OC(F)F)nc5)n34)c2)n1,FRKWJFBUESFFBZ-UHFFFAOYSA-N,2,1,0.364,61,917,421.371,2.645,5,0.426,0.74,1.0,0.35000171338496333,0.41349119320128846,0.487517990542115,0.45977828798574466,0.4276972962785278
EOS-2-34348,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4)n23)nc1F,AVBKEYVMPVLSFC-UHFFFAOYSA-N,2,1,0.413,46,62,421.371,2.234,5,0.398,0.63,1.0,0.5912377492975122,0.4709923925707628,0.31978616955657596,0.33256802138304437,0.42864608320197384
EOS-2-34349,FC(F)n1ncc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cc2)n1,FASAOSKXWAIMTB-UHFFFAOYSA-N,2,1,0.523,36,208,421.371,2.814,5,0.412,0.62,1.0,0.5084041532451511,0.47536152422726335,0.38332705092180114,0.307484065519841,0.41864419847851414
EOS-2-34350,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4ccnc(F)c4F)n23)c1,XLKMQKPKQCJJJE-UHFFFAOYSA-N,2,1,0.435,2,36,421.371,2.234,5,0.398,0.54,1.0,0.48092145843328077,0.3943526831608526,0.5321174011376876,0.47814577479268044,0.47138432938112534
EOS-2-34351,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)nc2)cn1,WNIUNCOUPJZQRW-UHFFFAOYSA-N,2,1,0.426,92,182,421.371,2.814,5,0.412,0.63,1.0,0.347637242135563,0.32704235487629363,0.5321259680625042,0.4313617983688575,0.4095418408608046
EOS-2-34352,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nn2)cn1,CXUAWUADFBHMSF-UHFFFAOYSA-N,2,1,0.518,36,391,421.371,2.234,5,0.425,0.69,1.0,0.6055959152902474,0.6438301007470358,0.41192344595983826,0.4219638818449729,0.5208283359605236
EOS-2-34353,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)cn1,YXUQAOJRWPDXRN-UHFFFAOYSA-N,2,1,0.588,37,6,421.371,2.266,5,0.415,0.72,1.0,0.8862141045850181,0.8310088410664108,0.5010280309780001,0.5031954629566171,0.6803616098965115
EOS-2-34354,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)c1,CRLNUAHKUGKMKY-UHFFFAOYSA-N,2,1,0.558,37,6,421.371,2.266,5,0.443,0.73,1.0,0.8767733534370502,0.7747669796449866,0.4939860187786992,0.5198495648002193,0.6663439791652388
EOS-2-34355,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4cc(F)ccc4F)n23)c1,KQMIQEUPMRJAFW-UHFFFAOYSA-N,2,1,0.56,36,728,421.371,2.234,5,0.425,0.75,0.998,0.44735624700157633,0.4933863340415324,0.3494534301966966,0.4056181892947707,0.42395355013364405
EOS-2-34356,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nn2)nn1,BKAGGLQUZVPQFL-UHFFFAOYSA-N,2,1,0.517,36,391,421.371,2.234,5,0.425,0.61,1.0,0.5211174696730861,0.620305325200466,0.39063463779041874,0.412368926050305,0.48610658967856896
EOS-2-34357,Cn1cc(-c2cnc(COc3cncc4nnc(-c5cc(F)ccc5F)n34)cn2)nn1,YKQQBEGJAAJPBO-UHFFFAOYSA-N,2,1,0.477,73,212,421.371,2.234,5,0.425,0.58,1.0,0.4196850798437393,0.47100095949557946,0.3719587416900829,0.39347885682955247,0.41403090946473853
EOS-2-34358,Cn1nnnc1COc1cncc2nnc(-c3cc(-c4ccc(F)c(F)c4)ccn3)n12,LZTUOELXKHIPJO-UHFFFAOYSA-N,2,1,0.411,36,391,421.371,2.234,5,0.425,0.67,1.0,0.4291086971420739,0.4225121650332397,0.2870262490576383,0.39060893701596877,0.38231401206223015
EOS-2-34359,Cn1nc(-c2ccnnc2)nc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,BWHQASQDRVTLFF-UHFFFAOYSA-N,2,1,0.512,36,446,421.371,2.234,5,0.425,0.72,1.0,0.4809300253580975,0.6158076896717154,0.22160064423274622,0.2917637584812556,0.40252552943595366
EOS-2-34360,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccn1,DDUCALMRMBDLRI-UHFFFAOYSA-N,2,1,0.483,55,564,421.371,2.234,5,0.425,0.6,1.0,0.4957079706668494,0.37555685011308343,0.48388561441984784,0.4535072990199438,0.45216443355493113
EOS-2-34361,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ncc(F)cc5F)n34)cn2)cn1,JHCCNJXFKMYSNO-UHFFFAOYSA-N,2,1,0.418,7,399,421.371,2.234,5,0.425,0.65,1.0,0.4589644301281612,0.3992700980056199,0.3416232609142622,0.3227845932424097,0.3806605955726132
EOS-2-34362,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)c1,KNWIHTDWJIUSOR-UHFFFAOYSA-N,2,1,0.533,37,6,421.371,2.266,5,0.443,0.66,1.0,0.8188009732026592,0.7920036323761223,0.43822390514700843,0.4751987526557467,0.6310568158453842
EOS-2-34363,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)cc1,WBEYSVUVMGWXEN-UHFFFAOYSA-N,2,1,0.57,36,447,421.371,2.234,5,0.425,0.72,1.0,0.7092300047974779,0.5114454115550682,0.40862517990542113,0.4249708724556233,0.5135678671783976
EOS-2-34364,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)cn1,HZRNAZSNAFHGAN-UHFFFAOYSA-N,2,1,0.472,36,185,421.371,2.234,5,0.425,0.63,1.0,0.5292046467000205,0.49339490096634914,0.37196730861489957,0.3616698649852649,0.4390591803166335
EOS-2-34365,Cc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)n1,JRNNHJRTLFGJDQ-UHFFFAOYSA-N,2,1,0.483,36,6,421.371,2.532,5,0.46,0.69,1.0,0.6667123569323555,0.6585994791309712,0.45606880954012746,0.4438181070522925,0.5562996881639367
EOS-2-34366,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cc2F)n1,NOYDFMIKGOZOKO-UHFFFAOYSA-N,2,1,0.542,36,258,421.371,2.234,5,0.398,0.71,1.0,0.657211637310671,0.5871855938592283,0.4119320128846549,0.40907922692070453,0.5163521177438147
EOS-2-34367,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)c(F)n4)n23)cn1,YCOWCWKDEAZRQB-UHFFFAOYSA-N,2,1,0.436,58,773,421.371,2.266,5,0.415,0.47,0.998,0.6909567541635254,0.582088273593311,0.41938523747515594,0.4185456788431225,0.5277439860187787
EOS-2-34368,Cn1nc(-c2nnc3cncc(OCc4cc(F)ncn4)n23)cc1-c1ccc(F)nc1,XFWOKDLHAJYEQA-UHFFFAOYSA-N,2,1,0.404,95,694,421.371,2.234,5,0.314,0.63,0.999,0.3428483311630457,0.3365430744979782,0.3833356178466178,0.35811459118634775,0.3552104036734974
EOS-2-34369,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)c(F)c3)n12,YQXQZMMERHVEKD-UHFFFAOYSA-N,2,1,0.482,36,610,421.371,2.234,5,0.398,0.67,1.0,0.5496624631622233,0.5528664930436571,0.31606812418614216,0.40260263175930366,0.45529992803783154
EOS-2-34370,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cn1,BVGQZEYSGHABNN-UHFFFAOYSA-N,2,1,0.456,55,45,421.371,2.234,5,0.398,0.64,0.998,0.585283736549928,0.4710095264203961,0.38334418477143445,0.3452213693372627,0.44621470426975535
EOS-2-34371,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnnc5)n34)c(F)c2F)n[nH]1,OTYLYDQWHIWTNB-UHFFFAOYSA-N,2,1,0.46,47,772,421.371,2.532,5,0.46,0.63,1.0,0.70002056061956,0.6011582482352135,0.47012713316427934,0.4282777054348571,0.5498959118634775
EOS-2-34372,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)nc1,MCDIXFUSFNCZLM-UHFFFAOYSA-N,2,1,0.545,37,6,421.371,2.266,5,0.443,0.72,1.0,0.8594167637584813,0.7920121993009389,0.43441162360359126,0.46291378246864506,0.6371885922829141
EOS-2-34373,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2)n1,AQZYNWZGQXNOBP-UHFFFAOYSA-N,2,1,0.543,36,447,421.371,2.234,5,0.425,0.63,1.0,0.559857103694058,0.4886659584675485,0.4051298745802207,0.3906175039407854,0.4610676101706531
EOS-2-34374,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cc1F,DXTTZBGORYMEDE-UHFFFAOYSA-N,2,1,0.578,36,728,421.371,2.234,5,0.425,0.67,1.0,0.5211260365979028,0.5713881844972929,0.3569323555616476,0.41237749297512166,0.4654560174079912
EOS-2-34375,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)cc1,IWZVFVLICZPFTM-UHFFFAOYSA-N,2,1,0.554,36,447,421.371,2.234,5,0.425,0.69,1.0,0.5341049276951545,0.49830374888629975,0.4014974984579535,0.4123860598999383,0.4615730587348365
EOS-2-34376,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2F)n1,VWOFGFXRBGCCQE-UHFFFAOYSA-N,2,1,0.585,36,610,421.371,2.234,5,0.425,0.65,1.0,0.5158659447604688,0.557869577136591,0.35694092248646425,0.3906260708656021,0.45532562881228156
EOS-2-34377,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cc2)n1,CTPBPTFIVHGVLA-UHFFFAOYSA-N,2,1,0.531,36,447,421.371,2.234,5,0.425,0.59,1.0,0.7246676033171133,0.479936262079364,0.4487783565211432,0.42828627235967376,0.5204171235693236
EOS-2-34378,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)c(F)c1,SEOHNOPIUPWKAN-UHFFFAOYSA-N,2,1,0.554,36,728,421.371,2.234,5,0.425,0.73,1.0,0.4957165375916661,0.5918802686587622,0.3569494894112809,0.3995699403742033,0.4610290590089781
EOS-2-34379,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)nc2F)n1,BTHURHZZZXJEPU-UHFFFAOYSA-N,2,1,0.409,46,62,421.371,2.234,5,0.398,0.6,0.696,0.5521811390583237,0.42252073195805634,0.30858063189637447,0.30436570488657394,0.3969120519498321
EOS-2-34380,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)nc2F)n1,RVMZCRQIHUFPTM-UHFFFAOYSA-N,2,1,0.424,46,223,421.371,2.234,5,0.398,0.63,0.428,0.5366578712905216,0.422529298882873,0.3160766911109588,0.29177232540607223,0.3917590466726064
EOS-2-34381,Cn1nnc(-c2ncc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cc2F)n1,VWVALCGCAWTPNL-UHFFFAOYSA-N,2,1,0.62,36,258,421.371,2.234,5,0.425,0.71,1.0,0.742700980056199,0.6880439997258584,0.27594064834487014,0.34201733945582896,0.5121757418956892
EOS-2-34382,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)nc1,XPTVVCVLHMTBBG-UHFFFAOYSA-N,2,1,0.424,46,128,421.371,2.234,5,0.425,0.65,1.0,0.4545096292234939,0.4447176341580426,0.37585669248166675,0.36483962716743196,0.4099808957576588
EOS-2-34383,Cc1cn(-c2nc(COc3cncc4nnc(-c5ccc(F)nc5)n34)ccc2F)nn1,CFMTWJZOYBAWFN-UHFFFAOYSA-N,2,1,0.494,4,390,421.371,2.328,5,0.398,0.54,1.0,0.13353265711740114,0.3755654170379001,0.25028270851895,0.26528339387293537,0.25616604413679667
EOS-2-34384,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1F,JKVAVPCJFLVXCA-UHFFFAOYSA-N,2,1,0.485,87,304,421.371,2.266,5,0.443,0.63,1.0,0.7092385717222945,0.6684600095949558,0.3870793639915016,0.37788705366321707,0.5356662497429923
EOS-2-34385,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1F,QHWCUPPZHYTNPV-UHFFFAOYSA-N,2,1,0.542,36,728,421.371,2.234,5,0.398,0.73,1.0,0.684985607566308,0.6058614899595641,0.4119405798094716,0.4313703652936742,0.5335395106572545
EOS-2-34386,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)cn1,BAXHSYINFWQMBO-UHFFFAOYSA-N,2,1,0.451,55,45,421.371,2.234,5,0.398,0.61,0.999,0.6028116647248304,0.5160544171064355,0.35319717634158043,0.332576588307861,0.45115996162017685
EOS-2-34387,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(F)nc5)n34)c(F)c2)nn1,FAMPGIHMLFRHLD-UHFFFAOYSA-N,2,1,0.451,92,875,421.371,2.234,5,0.398,0.68,1.0,0.3997498457953533,0.4134997601261051,0.4119491467342883,0.3964772805153862,0.40541900829278327
EOS-2-34388,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)nc2)nn1,VZHOOHDZUJWPOZ-UHFFFAOYSA-N,2,1,0.512,51,446,421.371,2.234,5,0.425,0.73,1.0,0.4403570694263587,0.5820968405181276,0.3719758755397163,0.3871307655404016,0.445390137756151
EOS-2-34389,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1,KZTOTBRIPOXMMP-UHFFFAOYSA-N,2,1,0.5,61,917,421.371,2.645,5,0.426,0.8,1.0,0.419693646768556,0.4535672674936605,0.49745562332944965,0.5064251936125008,0.46928543280104174
EOS-2-34390,Cc1cc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCc4nnco4)n23)n1,SJZJMFLTPGWDFC-UHFFFAOYSA-N,2,1,0.418,4,391,421.367,3.402,5,0.425,0.67,1.0,0.5882735933109451,0.5160629840312522,0.6011411143855802,0.5972688643684463,0.5756866390240559
EOS-2-34391,Cc1noc(-c2ccc(COc3cncc4nnc(-c5cc(F)cc(F)c5)n34)nc2)n1,FLZVBRPSICWJKK-UHFFFAOYSA-N,2,1,0.697,4,439,421.367,3.402,5,0.425,0.69,1.0,0.4933520663422658,0.52540093208142,0.5390223425399219,0.5134243711877184,0.5177999280378316
EOS-2-34392,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)cn2)no1,QADZAPBSSVPMLT-UHFFFAOYSA-N,2,1,0.529,73,446,421.367,3.402,5,0.425,0.7,1.0,0.6820043177301076,0.7168545678843122,0.515343362346652,0.5064337605373175,0.6051590021245973
EOS-2-34393,Cc1nc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)ccc1F,UGGZYKZYNHYWOU-UHFFFAOYSA-N,2,1,0.529,4,712,421.367,3.402,5,0.425,0.72,1.0,0.7517219518881503,0.6389726543759852,0.6278527859639503,0.5662137619080255,0.6461902885340278
EOS-2-34394,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnco5)cn4)n23)cn1,VMVTZOITNRLLGX-UHFFFAOYSA-N,2,1,0.57,27,69,421.367,3.753,5,0.408,0.67,1.0,0.6306627373038174,0.6011668151600301,0.7631416626687684,0.6362141045850181,0.6577963299294085
EOS-2-34395,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccno5)n4)n23)cc1,KNIMHEZTAJJYBW-UHFFFAOYSA-N,2,1,0.529,27,343,421.367,3.753,5,0.408,0.74,1.0,0.6760760057569735,0.5713967514221096,0.6956428620382428,0.6270646288808169,0.6425450620245358
EOS-2-34396,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1F,RBGCWKUQSMLKQR-UHFFFAOYSA-N,2,1,0.568,72,265,421.367,3.136,5,0.412,0.61,1.0,0.9425587691042423,0.7789819066547872,0.6630114454115551,0.6270731958056336,0.7529063292440545
EOS-2-34397,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccco5)n4)n23)cn1,CKKODWAMUMWNHQ-UHFFFAOYSA-N,2,1,0.511,27,69,421.367,3.753,5,0.408,0.67,0.998,0.6364711123295183,0.5965920773079295,0.6011496813103968,0.48725241587279833,0.5803663217051607
EOS-2-34398,Cc1coc(-c2cncc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)n1,CVTYZWJBBDZSOG-UHFFFAOYSA-N,2,1,0.451,2,422,421.367,3.402,5,0.425,0.61,1.0,0.7365841957370982,0.5208690288534028,0.6518059077513536,0.572544719347543,0.6204509629223494
EOS-2-34399,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ncc2F)o1,RSJXDIBIBRDXNA-UHFFFAOYSA-N,2,1,0.542,4,32,421.367,3.402,5,0.425,0.71,1.0,0.8436193543965458,0.8043742718113905,0.5254437667055034,0.519858131725036,0.6733238811596188
EOS-2-34400,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)no4)n23)cc1,XIYRDUMBXRVGBH-UHFFFAOYSA-N,2,1,0.536,89,805,421.367,3.753,5,0.408,0.76,0.999,0.8661846343636488,0.6246401891576999,0.7369611404290316,0.6825783016928243,0.7275910664108012
EOS-2-34401,Cc1cc(F)ccc1-c1nnc2cncc(OCc3nc(-c4ccc(F)cn4)no3)n12,SEGQTBDVFCGYBD-UHFFFAOYSA-N,2,1,0.472,73,877,421.367,3.402,5,0.425,0.68,1.0,0.6760845726817901,0.6929100130217257,0.4015060653827702,0.4502604345144267,0.5551902714001782
EOS-2-34402,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(OC(F)F)nc5)n34)cc2)o1,HWBXCDQSDMSHMJ-UHFFFAOYSA-N,2,1,0.366,61,121,421.367,3.813,5,0.422,0.85,1.0,0.5794325269001439,0.5821054074429443,0.7008001507778767,0.609425330683298,0.6179408539510658
EOS-2-34403,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncccc5F)n34)cc2F)no1,BHYGNVIGZLNSQJ-UHFFFAOYSA-N,2,1,0.554,4,526,421.367,3.402,5,0.425,0.73,1.0,0.6667209238571722,0.6438386676718525,0.4875265574669317,0.47520731958056334,0.5683233671441299
EOS-2-34404,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cc2F)o1,DLVVCKYIDGSIHB-UHFFFAOYSA-N,2,1,0.512,72,554,421.367,3.402,5,0.398,0.7,1.0,0.8482197930230965,0.7168631348091289,0.6192601603728326,0.5662223288328422,0.687641354259475
EOS-2-34405,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cn4)n23)cn1,FDNOLTWFIJIUSM-UHFFFAOYSA-N,2,1,0.554,27,69,421.367,3.753,5,0.408,0.64,1.0,0.5545970118566239,0.5344219039133713,0.7369697073538483,0.6214447262010828,0.6118583373312315
EOS-2-34406,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c(F)c1,SMZDGPHQTBROSD-UHFFFAOYSA-N,2,1,0.506,72,889,421.367,3.136,5,0.412,0.71,1.0,0.9034593242409704,0.7618823247207183,0.5355013364402714,0.5263175930368035,0.6817901446096908
EOS-2-34407,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(F)o5)n34)nc2)cn1,AGDQAYHPMPGXHZ-UHFFFAOYSA-N,2,1,0.459,18,959,421.367,3.136,5,0.385,0.67,1.0,0.8241724350627099,0.6732574874922898,0.5390309094647385,0.509646357343568,0.6365267973408266
EOS-2-34408,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccon5)n34)nn2)c(F)c1,VGURCVZXOJTUOJ-UHFFFAOYSA-N,2,1,0.54,54,691,421.367,3.136,5,0.412,0.64,0.994,0.6279812898362004,0.5160715509560688,0.4804931121924474,0.5436056473168391,0.542037900075389
EOS-2-34409,Cc1nc(-c2ccc(COc3cncc4nnc(-c5cc(F)ccc5F)n34)cn2)no1,YJZYMRWRCKXQIM-UHFFFAOYSA-N,2,1,0.506,73,877,421.367,3.402,5,0.425,0.68,1.0,0.6423137550544856,0.6438472345966691,0.5117366869988349,0.5064423274621342,0.576085001028031
EOS-2-34410,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)cc1F,NYBMXFZPNMUJGD-UHFFFAOYSA-N,2,1,0.704,84,360,421.367,3.136,5,0.412,0.69,1.0,0.8315828250291275,0.7260126105133301,0.6518144746761703,0.6242375436913166,0.7084118634774861
EOS-2-34411,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)no1,PAELVDHANBLGRD-UHFFFAOYSA-N,2,1,0.513,96,121,421.367,3.813,5,0.422,0.77,1.0,0.7215920773079295,0.6203138921252828,0.6630200123363718,0.6127578644369817,0.6544209615516414
EOS-2-34412,Cc1nnc(-c2cc(COc3cncc4nnc(-c5cc(F)ccn5)n34)ccc2F)o1,IDPZDUFQSYRRRG-UHFFFAOYSA-N,2,1,0.466,44,483,421.367,3.402,5,0.425,0.71,1.0,0.630671304228634,0.4799448290041807,0.5524895483517237,0.539947570420122,0.5507633130011651
EOS-2-34413,Fc1cc(F)nc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)cc4)n23)c1,MJGDDRBJOFZDSW-UHFFFAOYSA-N,2,1,0.512,15,922,421.367,3.136,5,0.385,0.75,1.0,0.8639572339113152,0.7534953053252005,0.5622301418682749,0.5367092728394216,0.6790979884860531
EOS-2-34414,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)c(F)c4)n23)c1,KZZVZZUMATVGOJ-UHFFFAOYSA-N,2,1,0.533,37,490,421.367,3.136,5,0.412,0.68,1.0,0.8365516414227949,0.6781577684874237,0.5914090877938455,0.5880851209649784,0.6735509046672606
EOS-2-34415,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccno5)cn4)n23)cn1,UZAOGURVUCBICP-UHFFFAOYSA-N,2,1,0.57,27,69,421.367,3.753,5,0.408,0.65,1.0,0.5341134946199713,0.5486258652594065,0.7561681858680008,0.6362226715098348,0.6187825543143034
EOS-2-34416,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)o1,DQUDOLOBWLUISC-UHFFFAOYSA-N,2,1,0.641,59,483,421.367,3.402,5,0.425,0.75,1.0,0.8457182509766294,0.7491004728942499,0.5945103145774793,0.5629583304776917,0.6880718422315126
EOS-2-34417,Fc1cc(-c2nnc3cncc(OCCc4cncnc4F)n23)ccc1-c1cnoc1,WUBVEWLNOJXGDP-UHFFFAOYSA-N,2,1,0.571,35,215,421.367,3.136,5,0.385,0.61,1.0,0.8505842642724968,0.6830666164073744,0.6821670893016243,0.6647762319237887,0.720148550476321
EOS-2-34418,Cc1nc(-c2ccc(COc3cncc4nnc(-c5cccc(F)c5F)n34)nc2)no1,HZTDCXCIEDTKPG-UHFFFAOYSA-N,2,1,0.536,4,71,421.367,3.402,5,0.425,0.69,1.0,0.6111901171955315,0.6684685765197724,0.5254523336303201,0.4964618600507162,0.575393221849085
EOS-2-34419,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cn4)n23)cc1,RVSCBBOTEKCKES-UHFFFAOYSA-N,2,1,0.58,27,343,421.367,3.753,5,0.408,0.76,1.0,0.672812007401823,0.591888835583579,0.7725481461174697,0.6965937906928928,0.6834606949489411
EOS-2-34420,Fc1cncc(F)c1CCOc1cncc2nnc(-c3cccc(-c4ncon4)c3)n12,KVOBRWSJACPAGR-UHFFFAOYSA-N,2,1,0.61,35,559,421.367,3.136,5,0.412,0.7,1.0,0.6909653210883421,0.5389538071413885,0.5817969981495442,0.5725532862723597,0.5960673531629086
EOS-2-34421,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)cn2)o1,TXYZVBVHNMXEII-UHFFFAOYSA-N,2,1,0.547,34,483,421.367,3.402,5,0.425,0.79,1.0,0.7664484956480022,0.7260211774381468,0.5355099033650881,0.5198666986498527,0.6369615687752724
EOS-2-34422,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cn1,MCFMYGFIPORTNX-UHFFFAOYSA-N,2,1,0.518,72,909,421.367,3.753,5,0.408,0.69,1.0,0.8268710163799603,0.6158162565965322,0.7839764238229046,0.6706017407991227,0.72431635939963
EOS-2-34423,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)c1,KCQKIAKSMTXPDT-UHFFFAOYSA-N,2,1,0.539,37,589,421.367,3.136,5,0.412,0.68,1.0,0.8767819203618669,0.7618908916455349,0.5881536563635118,0.5880936878897951,0.7037300390651772
EOS-2-34424,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)n1,VPXZUMMSCLKHFJ-UHFFFAOYSA-N,2,1,0.517,72,639,421.367,3.136,5,0.385,0.7,1.0,0.8767904872866835,0.7577959015831677,0.5524981152765404,0.5436142142416558,0.6826746795970118
EOS-2-34425,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cc1F,JXVGYHJDWZKXSS-UHFFFAOYSA-N,2,1,0.744,84,360,421.367,3.136,5,0.412,0.69,1.0,0.8505928311973134,0.7354276608868481,0.6278613528887671,0.6094338976081146,0.7058289356452608
EOS-2-34426,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cn2)no1,XCJMHUVHRZQBHN-UHFFFAOYSA-N,2,1,0.573,16,391,421.367,3.402,5,0.425,0.67,1.0,0.7805153861969707,0.7491090398190665,0.5589918442875745,0.5335909122061545,0.6555517956274415
EOS-2-34427,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnoc5)cn4)n23)cc1,WWHWQSBKPMHEJV-UHFFFAOYSA-N,2,1,0.525,27,969,421.367,3.753,5,0.408,0.74,1.0,0.77475841272017,0.6058700568843808,0.7901617435405387,0.7159807415530122,0.7216927386745253
EOS-2-34428,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cc2)n1,XDRBNTPSENGLBL-UHFFFAOYSA-N,2,1,0.524,16,55,421.367,3.402,5,0.398,0.73,1.0,0.8291326845315605,0.6058786238091974,0.6130748406551985,0.5263261599616201,0.6436030772393941
EOS-2-34429,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1cnco1,WCJFTBKRPJPURE-UHFFFAOYSA-N,2,1,0.649,13,209,421.363,4.525,5,0.412,0.77,1.0,0.9274467137276403,0.7491176067438832,0.916806593105339,0.8626122267150983,0.8639957850729901
EOS-2-34430,COc1cc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)ccc1-c1cnco1,UTJYJZWRIQEIEL-UHFFFAOYSA-N,2,1,0.531,13,209,421.363,4.525,5,0.412,0.75,1.0,0.8969655952299362,0.7448341443355493,0.9019601123980536,0.8508498389418134,0.8486524227263382
EOS-2-34431,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cocn1,GONCUTIVMURNLV-UHFFFAOYSA-N,2,1,0.5,13,209,421.363,4.525,5,0.412,0.76,1.0,0.9048814337605373,0.7307415530121307,0.8962802412446028,0.8358405866630114,0.8419359536700706
EOS-2-34432,COc1cc(-c2nnc3cncc(Oc4cccc(F)c4F)n23)ccc1-c1cocn1,KXJOFIRNPMALEC-UHFFFAOYSA-N,2,1,0.467,13,209,421.363,4.525,5,0.412,0.75,1.0,0.9197107806181893,0.7402165718593654,0.8995956411486533,0.8358491535878281,0.8488430368035091
EOS-2-34433,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1F,MBOLFQKEGJIHPP-UHFFFAOYSA-N,2,1,0.389,45,102,421.357,5.077,5,0.382,0.77,1.0,0.44983208827359333,0.7307501199369474,0.984836543074498,0.9903022411075321,0.7889302480981426
EOS-2-34434,Fc1cc(-c2cncc3nnc(-c4c(F)cccc4F)n23)c(F)cc1-c1cccnc1,ZQRSSHNQHKLSJH-UHFFFAOYSA-N,2,1,0.375,45,405,421.357,5.077,5,0.382,0.76,1.0,0.38451785347131795,0.587194160784045,0.9843824960592146,0.9903108080323487,0.7366013295867315
EOS-2-34435,COc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)nn5)no4)n23)cn1,GCVOYSODIYWOMS-UHFFFAOYSA-N,2,1,0.435,55,45,421.352,1.753,5,0.396,0.64,1.0,0.6572202042354877,0.5872027277088616,0.09068089918442876,0.062589952710575,0.3494234459598383
EOS-2-34436,Fc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)cn2)cn1,AEUCLAIBPCFYRQ-UHFFFAOYSA-N,2,1,0.582,13,573,421.342,3.853,5,0.435,0.7,1.0,0.8787780138441506,0.8911058186553354,0.8645569186484819,0.8594424645329313,0.8734708039202248
EOS-2-34437,Fc1cncc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)c(F)n5)n34)nc2)c1,PJARNMXXWSCIIB-UHFFFAOYSA-N,2,1,0.322,13,412,421.342,3.853,5,0.407,0.73,1.0,0.7691213761908026,0.7535038722500171,0.8460609279692961,0.8379823178671784,0.8016671235693236
EOS-2-34438,Fc1ccc(Oc2cncc3nnc(-c4ncc(-c5ccc(F)nc5)cn4)n23)c(F)c1,XYXMVUMEJDKREY-UHFFFAOYSA-N,2,1,0.414,13,995,421.342,3.853,5,0.407,0.78,1.0,0.6572287711603043,0.6977160578438764,0.8380765540401618,0.8492221232266466,0.7605608765677472
EOS-2-34439,Fc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2)c1,XAZOVEIODVQBLF-UHFFFAOYSA-N,2,1,0.393,13,251,421.342,3.853,5,0.435,0.78,0.999,0.6820128846549243,0.7123826331300116,0.8412720169967788,0.8659618943184154,0.7754073572750325
EOS-2-34440,Fc1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cc1F,BNCOKBNVTGDSEX-UHFFFAOYSA-N,2,1,0.471,13,145,421.342,3.853,5,0.407,0.72,1.0,0.9112123912000548,0.8983620039750532,0.9234887944623398,0.9114179973956549,0.9111202967582757
EOS-2-34441,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5cc(F)ccc5F)n34)nn2)nc1,BHZBBPCWIGXKSE-UHFFFAOYSA-N,2,1,0.375,34,706,421.342,3.853,5,0.435,0.68,0.999,0.7544119662805839,0.7877116030429717,0.8168905489685423,0.8358577205126447,0.7987179597011858
EOS-2-34442,Fc1cncc(-c2cnnc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)c1,IRIVKUJHVDTWER-UHFFFAOYSA-N,2,1,0.385,13,251,421.342,3.853,5,0.435,0.67,1.0,0.6306798711534508,0.6389812213008018,0.8808597765746008,0.8986618463436364,0.7622956788431225
EOS-2-34443,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5c(F)cccc5F)n34)ncn2)cn1,ZWDQKZQVUQILAJ-UHFFFAOYSA-N,2,1,0.37,44,971,421.342,3.853,5,0.407,0.62,0.999,0.7062401480364608,0.7618994585703516,0.8556987183880475,0.8508584058666301,0.7936741827153725
EOS-2-34444,Fc1ccc(-c2cnnc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)cn1,BPTHOZCHLKODJS-UHFFFAOYSA-N,2,1,0.506,13,573,421.342,3.853,5,0.407,0.61,1.0,0.6881125351243917,0.6929185799465424,0.8950294702213694,0.9033136865190871,0.7948435679528477
EOS-2-34445,COc1cc(-c2nnc3cncc(-c4cccc(C(F)F)n4)n23)ccc1C(F)(F)F,YPRXKAFFNKDGMY-UHFFFAOYSA-N,2,1,0.362,66,225,421.329,4.818,4,0.442,0.81,1.0,0.5996933040915633,0.6586080460557878,0.9963761908025495,0.9835515043519978,0.8095572613254746
EOS-2-34446,CC(Oc1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12)c1ccc(F)cc1F,RGQCHOHERBPDFK-UHFFFAOYSA-N,2,1,0.61,90,255,421.329,4.623,4,0.45,0.76,1.0,0.9682424097046124,0.9648413405523953,0.9974384894798163,0.9920670276197656,0.9806473168391474
EOS-2-34447,Cc1c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cnn1-c1ccc(Cl)cc1,PJLLZJNAFMXNBC-UHFFFAOYSA-N,2,1,0.471,45,533,421.291,5.259,5,0.399,0.8,0.999,0.05882050579124118,0.41812589952710577,0.829766636967994,0.912497429922555,0.554802618052224
EOS-2-34448,Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1-c1cccc(Cl)c1,YBLJDGXWMPLANL-UHFFFAOYSA-N,2,1,0.435,45,46,421.291,5.166,5,0.404,0.77,1.0,0.1858937015968748,0.462451168528545,0.8494619971215133,0.9283719416078404,0.6065447022136934
EOS-2-34449,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cc2)cn1,RZBFCEZFJAUMNC-UHFFFAOYSA-N,2,1,0.41,96,558,421.291,5.166,5,0.404,0.82,1.0,0.18882358988417516,0.45357583441847715,0.9139024055924885,0.9457028305119595,0.625501165101775
EOS-2-34450,Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1-c1ccc(Cl)cc1,OGQLCDPRTJSPAK-UHFFFAOYSA-N,2,1,0.469,45,533,421.291,5.166,5,0.404,0.73,1.0,0.19157357275032555,0.47101809334521283,0.8585429374271811,0.9315759714892742,0.6131776437529984
EOS-2-34451,COCc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(Br)cc3F)n12,KEJPAMKXWLQIRZ-UHFFFAOYSA-N,2,1,0.494,90,708,478.709,4.467,4,0.407,0.75,1.0,0.8003820848468234,0.8883815365636352,0.8541395380714139,0.8542680419436639,0.849292800356384
EOS-2-34452,Clc1ccc(-c2nnc3cncc(-c4cnnc(-c5cc(Cl)ccn5)n4)n23)cc1,KOIOXKBXQMFCKD-UHFFFAOYSA-N,2,1,0.429,22,844,421.251,4.012,5,0.434,0.79,1.0,0.2653005277225687,0.5578781440614077,0.542346309368789,0.7581899801247344,0.530928740319375
EOS-2-34453,Clc1cncc(-c2nnc3cncc(-c4cnc(-c5cccc(Cl)n5)cn4)n23)c1,MTNROTQLFBVYFV-UHFFFAOYSA-N,2,1,0.338,50,845,421.251,4.012,5,0.406,0.76,1.0,0.22462476869302994,0.31761017065314234,0.5590004112123912,0.7159893084778288,0.4543061647590981
EOS-2-34454,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc(F)c1Cl,BKNBSJHYLYYPOI-UHFFFAOYSA-N,2,1,0.828,23,86,421.234,4.998,4,0.426,0.81,1.0,0.9921269960934823,0.9971129463367829,0.9832173942841478,0.9912703036118155,0.9909319100815571
EOS-2-34458,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)ccc1Cl,LZZCILPHECKIFI-UHFFFAOYSA-N,2,1,0.757,23,86,421.234,4.998,4,0.455,0.78,1.0,0.9962219861558494,0.9980210403673497,0.9834658351038311,0.992469673086149,0.9925446336782948
EOS-2-34459,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1Cl,CSWIUUWEGGFRIL-UHFFFAOYSA-N,2,1,0.765,23,86,421.234,4.998,4,0.426,0.77,1.0,0.9997087245562333,0.9996487560825166,0.9829175519155644,0.9912788705366322,0.9933884757727367
EOS-2-34460,Fc1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)cc1F,IQEFLPWCDDHHGW-UHFFFAOYSA-N,2,1,0.732,23,86,421.234,4.998,4,0.455,0.79,1.0,0.9961020492084162,0.9975327256527997,0.9834744020286478,0.9928037831539991,0.9924782400109657
EOS-2-34464,Fc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1Cl,UOAGSGQOTMQYQY-UHFFFAOYSA-N,2,1,0.732,23,86,421.234,4.998,4,0.455,0.82,1.0,0.9967445685696662,0.9988605989993832,0.9834829689534644,0.992598176958399,0.9929215783702282
EOS-2-34465,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,XLHPADPDZIWSQE-UHFFFAOYSA-N,2,1,0.746,23,370,421.234,4.998,4,0.455,0.76,1.0,0.9888629977383319,0.9962733877047495,0.9788311287780138,0.9912874374614489,0.9888137379206361
EOS-2-34466,Fc1cc(Cl)cc(F)c1-n1cc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)nn1,NNCPFSFVCATHHI-UHFFFAOYSA-N,2,1,0.462,22,243,478.772,4.384,5,0.358,0.68,0.987,0.10403673497361388,0.4135083270509218,0.9770834761154136,0.9708381879240627,0.6163666815160029
EOS-2-34467,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5F)n34)n2)cc1Cl,YTYFOWOTAYKVNM-UHFFFAOYSA-N,2,1,0.318,22,990,478.81,3.416,6,0.374,0.64,1.0,0.14430128161195258,0.3657991227468988,0.5010365979028168,0.6475738468919197,0.414677712288397
EOS-2-34468,N#CCn1c(COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)nnc1-c1ccc(F)cc1,ZISCPQVRBRAPMG-UHFFFAOYSA-N,2,1,0.568,34,612,478.85,4.084,5,0.362,0.81,1.0,0.7779196079775204,0.8448444246453293,0.660381399492838,0.8007675964635734,0.7709782571448152
EOS-2-34469,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4C#N)n23)c(OC(F)F)c1,SEYRWHFKNISCLM-UHFFFAOYSA-N,2,1,0.347,61,697,478.85,4.38,5,0.369,0.7,0.996,0.45897299705297784,0.7307586868617642,0.9195908436707559,0.9179716948804058,0.756823555616476
EOS-2-34470,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5F)c(OC)n4)n23)cn1,LFMWBBSIUZNNPH-UHFFFAOYSA-N,2,1,0.398,13,703,478.871,4.85,5,0.341,0.78,1.0,0.7544205332054006,0.7354362278116647,0.7561767527928175,0.6505208690288534,0.7241385957096841
EOS-2-34471,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncc(F)cn1,OTQREKJGYKNYTJ-UHFFFAOYSA-N,2,1,0.452,49,896,478.875,3.461,5,0.324,0.64,1.0,0.8727983003221164,0.7076879583304777,0.3307175656226441,0.3074926324446577,0.554674114179974
EOS-2-34472,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncc(F)cn1,BEZZJFLPGIMNHQ-UHFFFAOYSA-N,2,1,0.463,49,896,478.875,3.461,5,0.347,0.66,0.996,0.8086063326708245,0.6830751833321911,0.28330820368720444,0.2739531217874032,0.5122357103694058
EOS-2-34473,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cncnc1,XDCHTYZFNAMSTI-UHFFFAOYSA-N,2,1,0.426,18,773,478.875,3.461,5,0.324,0.66,0.953,0.777928174902337,0.6732660544171064,0.5153519292714687,0.4565314234802275,0.6057693955177849
EOS-2-34474,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccc2F)cn1,KBFXFWHUASLGDT-UHFFFAOYSA-N,2,1,0.473,20,279,478.875,2.945,5,0.376,0.66,0.999,0.8482283599479131,0.8514323898293469,0.470135700089096,0.4932406963196491,0.6657592865465013
EOS-2-34475,COCc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cc1F,NFEKIBKQWZZCCD-UHFFFAOYSA-N,2,1,0.415,51,196,478.875,3.556,5,0.346,0.67,1.0,0.8031320677129737,0.7789904735796038,0.4594184771434446,0.44066547871975875,0.6205516242889452
EOS-2-34476,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)c(Cl)c5)nc4)n23)n1,FUCMZAUVDXFCDS-UHFFFAOYSA-N,2,1,0.474,87,76,478.875,3.461,5,0.324,0.68,1.0,0.7747669796449866,0.8310174079912275,0.452624905763827,0.41543588513467206,0.6184612946336784
EOS-2-34477,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c(F)c2)cc1=O,QWGYRQUEXUJJIQ-UHFFFAOYSA-N,2,1,0.468,20,279,478.875,2.756,5,0.366,0.65,1.0,0.54967103008704,0.5160801178808855,0.40513844150503736,0.45026900143924337,0.4802896477280516
EOS-2-34478,COCc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cc(Cl)ncc5F)c4)n23)cn1,MRNYTLHHRBVKID-UHFFFAOYSA-N,2,1,0.42,55,875,478.875,3.556,5,0.324,0.65,0.999,0.6423223219793023,0.7168717017339455,0.6401377561510521,0.5913148516208622,0.6476616578712906
EOS-2-34479,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(CF)n5)n34)cc2Cl)ccc1=O,RNVYWTJFYGHWFA-UHFFFAOYSA-N,2,1,0.469,4,677,478.875,3.044,5,0.366,0.57,0.999,0.46843088205057914,0.5389623740662052,0.30134158042629017,0.32279316016722637,0.40788199917757517
EOS-2-34480,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cncc(F)c1,GXLPQXVQNIFSKT-UHFFFAOYSA-N,2,1,0.377,49,132,478.875,3.461,5,0.347,0.7,0.985,0.7276231923788636,0.6203224590500994,0.3569580563360976,0.36167843191008153,0.5166455349187855
EOS-2-34481,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnc(F)c(Cl)c5)n34)cn2)cn1,ISEAESGIPZBECK-UHFFFAOYSA-N,2,1,0.505,65,76,478.875,3.461,5,0.324,0.62,1.0,0.8086148995956411,0.8119302994996916,0.5010451648276335,0.4219724487697896,0.635890703173189
EOS-2-34482,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2F)cc1=O,JXDAYGSIURYDAZ-UHFFFAOYSA-N,2,1,0.479,20,279,478.875,2.756,5,0.366,0.67,1.0,0.565656911794942,0.534430470838188,0.4157271605784388,0.4629223493934617,0.4946842231512576
EOS-2-34483,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncc(F)cn1,UQFRQJFGLXLTME-UHFFFAOYSA-N,2,1,0.42,49,896,478.875,3.461,5,0.324,0.67,1.0,0.8188095401274759,0.6586166129806045,0.25389795079158384,0.2500171338496333,0.4953353094373244
EOS-2-34484,Cn1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc(-c2cncc(F)c2)c1=O,TXGXZDLPMVFBFS-UHFFFAOYSA-N,2,1,0.417,20,279,478.875,2.756,5,0.366,0.69,1.0,0.4567541635254609,0.2869405798094716,0.3833527516962511,0.4438266739771092,0.39271854225207314
EOS-2-34485,CCOc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)cn1,LFROABMFEDFFMS-UHFFFAOYSA-N,2,1,0.452,4,208,478.875,3.809,5,0.344,0.64,1.0,0.7000291275443766,0.7619080254951682,0.47345109999314644,0.43137893221849083,0.5916917963127956
EOS-2-34486,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ccc(F)cn1,KLQMSLZWRZADSR-UHFFFAOYSA-N,2,1,0.398,49,501,478.875,3.461,5,0.347,0.58,0.987,0.7457251045164828,0.6634911932012885,0.3013501473511068,0.30750119936947434,0.5045169111095881
EOS-2-34487,Cn1ncc(-c2cc(F)c(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cc1=O,WTIDFGWVKNXCEM-UHFFFAOYSA-N,2,1,0.422,87,954,478.875,2.756,5,0.342,0.64,1.0,0.4957251045164828,0.38964944143650193,0.36433417860324857,0.4090877938455212,0.41469912960043864
EOS-2-34488,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cn2)ccc1=O,VEMUVLDSGVANBL-UHFFFAOYSA-N,2,1,0.475,58,954,478.875,2.756,5,0.342,0.6,0.237,0.5941762045096293,0.5714053183469262,0.32705948872592694,0.35476492358303063,0.46185148379137825
EOS-2-34489,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)ccn2)cc1=O,HBFANZXUSLUQLC-UHFFFAOYSA-N,2,1,0.516,75,329,478.875,2.756,5,0.342,0.6,1.0,0.45676273045027754,0.4040675759029539,0.4838941813446645,0.48446816530738124,0.4572981632513193
EOS-2-34490,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)c(F)cn5)n34)cn2)cc1=O,VJBAWBLRBSDOLR-UHFFFAOYSA-N,2,1,0.475,87,600,478.875,2.756,5,0.366,0.7,1.0,0.5292132136248372,0.47995339592899733,0.445325885820026,0.4597868549105613,0.47856983757110544
EOS-2-34491,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)cn2)cn1,XWHRZLSJRREOAB-UHFFFAOYSA-N,2,1,0.444,87,795,478.875,3.461,5,0.324,0.66,1.0,0.7779367418271538,0.8043828387362073,0.3680265231992324,0.32918408608046057,0.5698825474607635
EOS-2-34492,OCc1cc(Cl)nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)n1,PQPDHBKPTLKDOE-UHFFFAOYSA-N,2,1,0.511,75,359,478.875,2.945,5,0.351,0.55,1.0,0.6791086971420739,0.6203310259749161,0.44878692344595983,0.4565399904050442,0.5511916592419985
EOS-2-34493,COc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cnc1F,ALHWBIFMYWUZSJ-UHFFFAOYSA-N,2,1,0.5,87,579,478.875,3.461,5,0.347,0.6,0.949,0.8506013981221301,0.8575320402988144,0.34163182783907886,0.31060242615310807,0.590091923103283
EOS-2-34494,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cn2)cc1=O,XSKWVYGAMUEKQN-UHFFFAOYSA-N,2,1,0.47,87,954,478.875,2.756,5,0.342,0.71,0.959,0.5546055787814406,0.5208775957782195,0.4015146323075869,0.4154444520594887,0.4731105647316839
EOS-2-34495,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)cc1=O,PAVLSXDCCYNRLI-UHFFFAOYSA-N,2,1,0.454,72,470,478.875,2.756,5,0.366,0.65,1.0,0.43816393667329173,0.4535844013432938,0.37198444246453294,0.42497943938043997,0.4221780549653896
EOS-2-34496,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnc2Cl)cc1=O,NDAMAEMKJLIOCM-UHFFFAOYSA-N,2,1,0.469,65,904,478.875,2.756,5,0.342,0.65,1.0,0.5292217805496539,0.5389709409910218,0.5219741621547529,0.5335994791309712,0.5309415907066
EOS-2-34497,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc(-c2cncnc2)c1=O,MAIYOKPOGPEVOY-UHFFFAOYSA-N,2,1,0.575,84,381,478.875,2.756,5,0.366,0.67,1.0,0.3955434857103694,0.23524775546569804,0.4526334726886437,0.5198752655746693,0.40082499485984513
EOS-2-34498,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cn2)cn1,QVBIDZAVUUCHSG-UHFFFAOYSA-N,2,1,0.505,65,76,478.875,3.461,5,0.324,0.65,1.0,0.8136351175382085,0.8081522856555411,0.4974641902542663,0.4219810156946063,0.6353081522856555
EOS-2-34499,COc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)n1,UNRWOCAAZNUVSR-UHFFFAOYSA-N,2,1,0.511,37,141,478.875,3.461,5,0.347,0.61,1.0,0.9167980261805222,0.8380422863408951,0.405147008429854,0.3778956205880337,0.6344707353848262
EOS-2-34500,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cn2)[nH]c(=N)n1,NIVSDWNOUIYVEW-UHFFFAOYSA-N,2,1,0.476,58,579,478.879,2.568,5,0.354,0.58,0.998,0.696850798437393,0.697724624768693,0.22869405798094716,0.2179597011856624,0.46030729559317385
EOS-2-34501,Clc1nsc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)no2)n1,QKVNREUYLFMUKT-UHFFFAOYSA-N,2,1,0.444,40,59,478.881,4.185,6,0.343,0.69,1.0,0.5912463162223288,0.634337948050168,0.07447227743129327,0.12826399835515043,0.3570801350147351
EOS-2-34502,Fc1cccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)c1,ZMUAHNMLCJFRKW-UHFFFAOYSA-N,2,1,0.714,79,590,478.886,6.137,5,0.281,0.79,1.0,0.9924868069357823,0.9990233705708998,0.9703584401343294,0.9742049893770133,0.9840184017545062
EOS-2-34503,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1ccc(F)cc1,UISGKDYDQVWAGI-UHFFFAOYSA-N,2,1,0.784,57,485,478.886,5.717,5,0.338,0.74,1.0,0.9938489479816325,0.9921184291686657,0.9750445480090467,0.978231444040847,0.9848108423000479
EOS-2-34504,FC(F)Oc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)cc3)n12,KUPAZABEOBIBSC-UHFFFAOYSA-N,2,1,0.679,79,23,478.886,6.292,5,0.275,0.85,1.0,0.9934805702145157,0.9829346857651977,0.9843910629840312,0.9832173942841478,0.9860059283119731
EOS-2-34505,Fc1ccc(COc2cncc3nnc(-c4ccc(OCc5cccc(Cl)c5)cc4)n23)cc1F,MPLOSWJZEDYVTF-UHFFFAOYSA-N,2,1,0.781,57,397,478.886,5.881,5,0.292,0.79,1.0,0.992135563018299,0.9909447604687821,0.9832259612089644,0.9817952847645809,0.9870253923651566
EOS-2-34506,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5cccc(Cl)c5)c(F)c4)n23)cc1,LDRMJJABPAFVNS-UHFFFAOYSA-N,2,1,0.714,79,590,478.886,6.137,5,0.281,0.78,1.0,0.9919642245219656,0.9974299225549996,0.970367007059146,0.9742135563018299,0.9834936776094854
EOS-2-34507,Fc1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)cc1,XQANYJUZWAVRQR-UHFFFAOYSA-N,2,1,0.74,79,590,478.886,6.137,5,0.281,0.8,1.0,0.9943458296209993,0.9993060790898499,0.9721831951202796,0.9754043588513467,0.9853098656706188
EOS-2-34508,FC(F)Oc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,WMDDHNKITUIBEI-UHFFFAOYSA-N,2,1,0.627,79,23,478.886,6.292,5,0.275,0.84,1.0,0.9756356658213967,0.9693561099307793,0.9829261188403811,0.982335001028031,0.977563223905147
EOS-2-34509,Cc1ncc(F)cc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cn1,OMIPJVLAGPGXLO-UHFFFAOYSA-N,2,1,0.537,88,672,478.89,5.11,5,0.337,0.74,1.0,0.937718456582825,0.9640446165444452,0.8868223562470016,0.8864454115550682,0.918757710232335
EOS-2-34510,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)ccc2F)cn1,XZMSFVSOIWUUPX-UHFFFAOYSA-N,2,1,0.61,88,222,478.89,5.11,5,0.337,0.69,1.0,0.9687392913439792,0.9812384346514975,0.92428551847029,0.9191282297306559,0.9483478685491057
EOS-2-34511,FC(F)c1cc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccn2)ccc1Cl,DMNFFQQQEGQFIH-UHFFFAOYSA-N,2,1,0.602,11,275,478.89,5.461,5,0.309,0.72,0.999,0.9017802069769035,0.9266756904941402,0.9252021794256734,0.910278596395038,0.9159841683229388
EOS-2-34512,FCc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cc2Cl)n1,HSOGJOIWRBMALU-UHFFFAOYSA-N,2,1,0.527,11,275,478.89,5.132,5,0.322,0.63,1.0,0.9312504283462408,0.9467308614899596,0.7862552258241382,0.8139092591323418,0.8695364436981701
EOS-2-34513,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccc2F)cn1,TVHAVWZQCRRCRD-UHFFFAOYSA-N,2,1,0.578,88,749,478.89,5.11,5,0.337,0.72,1.0,0.9752587211294633,0.9815639777945309,0.9128915084641217,0.9125059968473717,0.9455550510588718
EOS-2-34514,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(F)cc1-c1ccccn1,FFTZGOCRKUZWAR-UHFFFAOYSA-N,2,1,0.568,19,360,478.89,5.11,5,0.337,0.66,1.0,0.9334692618737578,0.8803543280104174,0.804879720375574,0.8258258515523268,0.861132290453019
EOS-2-34515,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1coc(=O)n1C,SKUCRCXLQHYFPX-UHFFFAOYSA-N,2,1,0.515,15,729,478.896,3.429,5,0.327,0.58,1.0,0.6111986841203482,0.5114539784798848,0.47674936604756357,0.3838324994859845,0.4958086320334453
EOS-2-34516,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1coc(=O)n1C,FGVAADZGHJEXIJ-UHFFFAOYSA-N,2,1,0.52,35,777,478.896,3.429,5,0.35,0.64,1.0,0.5970032896991296,0.4840483859913645,0.4630080186416284,0.3838410664108012,0.48197519018573093
EOS-2-34517,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1coc(=O)n1C,VPBUMNWOOZDYHP-UHFFFAOYSA-N,2,1,0.521,15,777,478.896,3.429,5,0.35,0.63,1.0,0.6249914330751833,0.5437084504146391,0.40863374683023784,0.3359005551367281,0.47830854636419706
EOS-2-34518,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1coc(=O)n1C,TURYCJYNBXXCQP-UHFFFAOYSA-N,2,1,0.516,15,777,478.896,3.429,5,0.35,0.57,1.0,0.602820231649647,0.5389795079158385,0.41573572750325544,0.3484939346172298,0.47650735042149267
EOS-2-34519,Clc1ccc(-c2nnc3cncc(OC4c5ccccc5-c5ccccc54)n23)cc1-c1nnco1,LJJPGOZBPLPMGK-UHFFFAOYSA-N,2,1,0.483,12,994,478.899,5.644,7,0.323,0.56,0.984,0.80039065177164,0.8857086560208347,0.9216126379274896,0.9315845384140908,0.8848241210335137
EOS-2-34520,OCCOc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1c[nH]cn1,NQKNMVCFPIINAC-UHFFFAOYSA-N,2,1,0.429,49,773,478.9,2.617,5,0.306,0.5,0.996,0.6364796792543349,0.48867452539236517,0.28703481598245495,0.25002570077445,0.41555368035090123
EOS-2-34521,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5nnc(CO)n5C)c4)n23)ccc1Cl,BEZGPAFXPWFLGT-UHFFFAOYSA-N,2,1,0.489,36,67,478.9,2.715,5,0.375,0.69,1.0,0.5109742306901515,0.6294205332054006,0.22160921115756288,0.21796826811047906,0.3949930607908985
EOS-2-34522,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cncn1CCO,VTDBHXCILHCHDD-UHFFFAOYSA-N,2,1,0.407,7,248,478.9,2.678,5,0.358,0.76,1.0,0.5009080940305668,0.36580768967171545,0.3532057432663971,0.2770629154958536,0.3742461106161332
EOS-2-34523,N#Cc1cc(F)cc(-c2cc(-c3nnc4cncc(OCCc5nnsc5Cl)n34)ccn2)c1,MUUIYLFYTYWECW-UHFFFAOYSA-N,2,1,0.495,37,563,478.9,3.99,5,0.36,0.65,1.0,0.6482506339524364,0.7168802686587622,0.48050167911726405,0.6184720032896991,0.6160261462545404
EOS-2-34524,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cn(C)c(OC)n1,ORPSOTVMJKIMLM-UHFFFAOYSA-N,2,1,0.444,36,224,478.9,3.231,5,0.347,0.57,1.0,0.43563669385237475,0.4181344664519224,0.26824754985950244,0.14891028716331986,0.3177322493317799
EOS-2-34525,Clc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)nn1,YKAKPRDXFNDLAH-UHFFFAOYSA-N,2,1,0.364,30,363,478.903,5.151,6,0.335,0.8,1.0,0.5941847714344459,0.6438558015214858,0.6073435679528476,0.6242461106161332,0.6174075628812281
EOS-2-34526,Clc1ccc(-c2nnc3cncc(-c4nccnc4Oc4cccc(-c5ncccn5)c4)n23)cc1,KBUIRPSDQRYNOQ-UHFFFAOYSA-N,2,1,0.378,32,983,478.903,5.151,6,0.335,0.79,1.0,0.5571756562264409,0.7491261736686999,0.5423548762936057,0.5913234185456788,0.6099950311836064
EOS-2-34527,Clc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nn2)c1,QGEKJKRGWSVMES-UHFFFAOYSA-N,2,1,0.402,28,177,478.903,5.151,6,0.335,0.76,1.0,0.6482592008772531,0.6977331916935097,0.5914176547186621,0.6362312384346515,0.6434103214310192
EOS-2-34528,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6oc(C#N)nc6Cl)cc5)n34)cc2)cn1,JWUCVUXQQBTMNB-UHFFFAOYSA-N,2,1,0.375,9,98,478.903,5.039,6,0.349,0.68,1.0,0.34059522993626207,0.39927866493043657,0.7631502295935851,0.7427438146802824,0.5614419847851415
EOS-2-34529,Clc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)nc1,LIDDSZMASZNUHA-UHFFFAOYSA-N,2,1,0.391,41,323,478.903,5.151,6,0.335,0.73,1.0,0.6938523747515591,0.7535124391748338,0.6900743609074087,0.6880954012747584,0.7063836440271399
EOS-2-34530,Clc1ccc(-c2nnc3cncc(-c4cccc(-c5cnccc5Oc5cccnc5)n4)n23)cn1,NCYCAJXWUNDYQL-UHFFFAOYSA-N,2,1,0.305,32,20,478.903,5.151,6,0.313,0.73,1.0,0.4661692138989788,0.5768196148310603,0.6575885820026044,0.6706103077239394,0.5927969296141458
EOS-2-34531,COCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nc(C)nn1C,HAMYFSUCXMSCMC-UHFFFAOYSA-N,2,1,0.347,51,924,478.904,2.459,5,0.343,0.54,0.791,0.3406037968610787,0.30217257213350696,0.023653279418819822,0.02186279213213625,0.17207311013638543
EOS-2-34532,COCCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)n1,SQLIKFHVOUFWBY-UHFFFAOYSA-N,2,1,0.411,20,279,478.904,2.156,5,0.31,0.7,1.0,0.33099170721677745,0.3563155369748475,0.029101843602220547,0.039502090329655265,0.1889777945308752
EOS-2-34533,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)cn2)nn1,FQJFPSVCIPOGBR-UHFFFAOYSA-N,2,1,0.325,38,424,478.907,4.124,6,0.368,0.7,1.0,0.22463333561784662,0.3021811390583236,0.3796261394010006,0.41855424576793915,0.3312487149612775
EOS-2-34534,Cc1cc(-c2ncc(Cl)nn2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cc3)n12,OVLSDLQGBDVTSW-UHFFFAOYSA-N,2,1,0.333,9,339,478.907,4.124,6,0.368,0.63,1.0,0.29238057706805565,0.2607943252690014,0.4344201905284079,0.4722345966691796,0.3649574223836612
EOS-2-34535,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)n6)nc5)n34)cn2)nn1,PKRBCNNLTZQTFC-UHFFFAOYSA-N,2,1,0.314,76,191,478.907,4.124,6,0.344,0.7,1.0,0.2385031868960318,0.2815348502501542,0.33072613254746075,0.3779041875128504,0.3071670893016243
EOS-2-34536,Cc1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cn4)n23)c(-c2ccc(Cl)cc2)n1,XUAQFMZENGRILP-UHFFFAOYSA-N,2,1,0.337,10,167,478.907,4.124,6,0.368,0.68,1.0,0.2706719895826194,0.37557398396271674,0.3796347063258173,0.4659379069289288,0.37295464670002054
EOS-2-34537,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ncccc5C#N)c4)n23)c(Cl)c1,NUTYPWLVPPAAJC-UHFFFAOYSA-N,2,1,0.321,98,151,478.907,3.965,6,0.376,0.63,1.0,0.023687547118086492,0.25083955863203344,0.5786872044410938,0.6156192173257488,0.36720838187924065
EOS-2-34538,COc1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1nccn1C,XAQBYDKSIQXXRT-UHFFFAOYSA-N,2,1,0.552,91,313,478.915,4.614,5,0.34,0.74,1.0,0.8365602083476116,0.6977417586183263,0.767947707490919,0.7077222260297443,0.7524929751216503
EOS-2-34539,OCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)cn1,PIFKKIHFJDGPQC-UHFFFAOYSA-N,2,1,0.709,91,322,478.915,4.061,5,0.361,0.72,1.0,0.6637482009457885,0.688052566650675,0.8090689466109245,0.8007761633883901,0.7404114693989445
EOS-2-34540,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1nccn1C,NYQPHDLGYMMVTF-UHFFFAOYSA-N,2,1,0.534,91,313,478.915,4.614,5,0.34,0.74,1.0,0.8291412514563772,0.7354447947364814,0.7922435062709889,0.7291652388458639,0.7714986978274279
EOS-2-34541,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1nccn1C,UWQYSXPILWAGHA-UHFFFAOYSA-N,2,1,0.686,91,313,478.915,4.614,5,0.34,0.75,1.0,0.8617898019326983,0.697750325543143,0.8112535124391749,0.7320608594338976,0.7757136248372284
EOS-2-34542,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1-c1ccnn1C,XHRHQEWELHWCBK-UHFFFAOYSA-N,2,1,0.714,91,781,478.915,4.614,5,0.34,0.75,1.0,0.7487406620519498,0.692927146871359,0.8511325474607635,0.7780566787745871,0.7677142587896648
EOS-2-34543,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1-c1cncn1C,LMANEEHBSIXSDP-UHFFFAOYSA-N,2,1,0.67,91,313,478.915,4.614,5,0.34,0.81,1.0,0.8767990542115003,0.735453361661298,0.8645654855732986,0.7964584332807896,0.8183190836817216
EOS-2-34544,CN(C)Cc1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)c1,FJTACQSJZASUEG-UHFFFAOYSA-N,2,1,0.602,59,294,478.915,4.879,5,0.329,0.73,1.0,0.7427095469810157,0.6830837502570077,0.8365859091220615,0.7553714618600507,0.7544376670550339
EOS-2-34545,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cnc1-c1ccccc1,CCKNVXPNQNBYFG-UHFFFAOYSA-N,2,1,0.378,93,987,478.918,6.375,6,0.275,0.79,1.0,0.3520320745665136,0.5254094990062367,0.9242940853951066,0.944940374203276,0.6866690082927833
EOS-2-34546,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)nc5)n34)cc2)cn1,KBIVAFCESIXQRE-UHFFFAOYSA-N,2,1,0.377,69,30,478.918,6.375,6,0.275,0.76,1.0,0.30290932766774037,0.5208861627030361,0.9390120622301419,0.9577907614282777,0.6801495785072991
EOS-2-34547,Fc1cc(-c2nnccc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)ccc1Cl,LXMBDLBJHUWVMR-UHFFFAOYSA-N,2,1,0.363,21,107,478.918,6.375,6,0.294,0.68,1.0,0.40180590775135355,0.6343465149749846,0.9333921595504078,0.9577993283530943,0.7318359776574601
EOS-2-34548,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)cc1Cl,LTNASSWXOPHTPL-UHFFFAOYSA-N,2,1,0.33,69,484,478.918,6.375,6,0.294,0.82,1.0,0.3453498732095127,0.5528750599684737,0.9484099787540264,0.9613117675279281,0.7019866698649853
EOS-2-34549,Fc1cc(-c2cncc(Cl)n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,LJFVCAXFXLYKNK-UHFFFAOYSA-N,2,1,0.408,21,107,478.918,6.375,6,0.294,0.81,1.0,0.42201528339387295,0.5821139743677609,0.9276780206976903,0.95002056061956,0.720456959769721
EOS-2-34550,Fc1cccc(-c2cc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)ccc2Cl)c1,CKLZMVAWWJWTLI-UHFFFAOYSA-N,2,1,0.38,69,696,478.918,6.375,6,0.294,0.72,1.0,0.3681635939962991,0.6880611335754917,0.9572339113151943,0.9729028168048797,0.7465903639229662
EOS-2-34551,Fc1cc(-c2cccc(Cl)c2)cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c1,NDMFFESDBXKTBN-UHFFFAOYSA-N,2,1,0.408,69,696,478.918,6.375,6,0.294,0.72,1.0,0.2895534918785553,0.4840569529161812,0.9566085258035776,0.9721403604961962,0.6755898327736276
EOS-2-34552,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)nc1C,KIVOXJJOKGRIMH-UHFFFAOYSA-N,2,1,0.56,31,308,478.919,4.187,5,0.346,0.67,0.999,0.619560002741416,0.5528836268932904,0.3719930093893496,0.41545301898430537,0.48997241450209034
EOS-2-34553,Clc1cccc(CCOc2cncc3nnc(-c4cccc(-c5cc6ccccc6nn5)c4)n23)c1,RYGHCZLPECHCJU-UHFFFAOYSA-N,2,1,0.587,79,897,478.943,5.676,6,0.306,0.65,1.0,0.8787865807689672,0.9431070522925091,0.7879600438626551,0.8358662874374615,0.8614299910903982
EOS-2-34554,Clc1cc(-n2cccn2)ccc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,CWGCJZOZFLIGHV-UHFFFAOYSA-N,2,1,0.524,12,285,478.943,5.876,6,0.299,0.81,1.0,0.6306884380782675,0.6586251799054211,0.8833099170721678,0.8944897539579193,0.7667783222534439
EOS-2-34555,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccn(-c6ccccc6)n5)cc4)n23)cc1,JQWJPBMLGFMWRC-UHFFFAOYSA-N,2,1,0.633,12,897,478.943,5.876,6,0.299,0.81,1.0,0.7544291001302172,0.8484853676924131,0.8494705640463299,0.8626207936399151,0.8287514563772189
EOS-2-34556,Clc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)ccn1,COUAFJNRBXOWHA-UHFFFAOYSA-N,2,1,0.524,77,603,478.943,5.876,6,0.28,0.73,1.0,0.7834624083339045,0.6977588924679597,0.9041875128503872,0.8998697827427866,0.8213196490987595
EOS-2-34557,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnn5-c5ccccc5)cc4)n23)cc1,YGTLZUHZENIERC-UHFFFAOYSA-N,2,1,0.625,12,994,478.943,5.876,6,0.299,0.73,1.0,0.7747755465698033,0.880362894935234,0.8494791309711466,0.8674782400109656,0.8430239531217874
EOS-2-34558,Clc1ccc(-c2nnc3cncc(OCc4ccn(-c5ccc(-c6ccccc6)nc5)c4)n23)cc1,ASNGVABDBYKVTF-UHFFFAOYSA-N,2,1,0.552,12,427,478.943,5.876,6,0.299,0.71,1.0,0.8031406346377904,0.7789990405044205,0.8715732300733329,0.8821362483722843,0.8339622883969571
EOS-2-34559,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)cc1-c1ccccc1,DAHILPZHEDEHFY-UHFFFAOYSA-N,2,1,0.548,12,994,478.943,5.876,6,0.299,0.78,1.0,0.5571842231512576,0.7619165924199849,0.882144815297101,0.8917826057158522,0.7732570591460489
EOS-2-34560,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)c(Cl)c2)n(C)n1,KBKUPKZDGVXONU-UHFFFAOYSA-N,2,1,0.361,32,179,478.947,5.278,6,0.342,0.71,1.0,0.10153519292714687,0.23039887601946404,0.6163559728599822,0.6330272085532177,0.39532931258995274
EOS-2-34561,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)ccc5Cl)n34)cc2)n1,YOEDLZVSDJYNHB-UHFFFAOYSA-N,2,1,0.329,9,642,478.947,5.278,6,0.342,0.76,1.0,0.21108046055787816,0.3755825508875334,0.6490216571859365,0.6764957850729902,0.4780451134260846
EOS-2-34562,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)n4C)n23)cc1,HORDEWNADRRNAV-UHFFFAOYSA-N,2,1,0.338,93,774,478.947,5.278,6,0.32,0.71,1.0,0.13876704818038516,0.3466006442327462,0.48753512439174834,0.6094424645329313,0.39558632033445273
EOS-2-34563,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)nc5)n34)nc2)cn1,SZFQCPHYDIGNFT-UHFFFAOYSA-N,2,1,0.345,32,714,478.947,5.452,6,0.327,0.67,1.0,0.10154375985196354,0.21999862929202935,0.6401463230758687,0.6765043519978069,0.40954826605441713
EOS-2-34564,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnnn6C)ccc5Cl)n34)cc2)cc1,GGSVIRIHVRYNFC-UHFFFAOYSA-N,2,1,0.346,25,228,478.947,5.278,6,0.342,0.78,1.0,0.2110890274826948,0.45359296826811046,0.6767356589678569,0.7581985470495511,0.5249040504420533
EOS-2-34565,Cc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cccnc5)c(Cl)c4)n23)n1C,CSFKBMYOLDKHHD-UHFFFAOYSA-N,2,1,0.365,3,474,478.947,5.278,6,0.342,0.72,1.0,0.0679956822698924,0.2608028921938181,0.4767579329723802,0.6062984031252142,0.35296372764032624
EOS-2-34566,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(Cc6ccccc6)cc5)n34)cn2)nn1,KVSIICAECGSUQN-UHFFFAOYSA-N,2,1,0.333,30,298,478.947,4.893,6,0.35,0.76,1.0,0.2082705092180111,0.2869491467342883,0.6518230416009869,0.7134106641080118,0.46511334041532454
EOS-2-34567,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)cc5)n34)cc2Cl)cn1,DVKAVKVUKPPJFT-UHFFFAOYSA-N,2,1,0.329,9,98,478.947,5.278,6,0.342,0.72,1.0,0.13877561510520184,0.27136591049276954,0.7034130628469605,0.6966023576177095,0.4525392365156603
EOS-2-34568,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)n5C)n34)cc2)cc1,XPMXHBMCBGREPE-UHFFFAOYSA-N,2,1,0.346,9,774,478.947,5.278,6,0.32,0.72,0.999,0.14430984853676923,0.3706565691179494,0.5117452539236516,0.6270817627304502,0.4134483585772051
EOS-2-34569,Cc1c(-c2nnc3cncc(-c4cccc(-c5cncnc5)c4)n23)c(-c2cccc(Cl)c2)nn1C,QLOLJUHNRJIPAZ-UHFFFAOYSA-N,2,1,0.337,3,696,478.947,5.278,6,0.342,0.55,1.0,0.03176615722020423,0.1958998697827428,0.5219827290795696,0.6299431156192173,0.3448979679254335
EOS-2-34570,CN(C)CCn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccn(C)n1,AZKWZIIGCMSYEN-UHFFFAOYSA-N,2,1,0.364,31,569,478.948,2.577,5,0.335,0.6,0.959,0.08669727914467823,0.03585258035775478,0.05056199026797341,0.04860873140977315,0.05543014529504489
EOS-2-34571,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5nc6cnccc6s5)nc4)n23)s1,OJBWYJDUVLYITE-UHFFFAOYSA-N,2,1,0.426,55,283,478.95,4.547,6,0.355,0.74,1.0,0.6699163868137893,0.6929357137961757,0.2077136591049277,0.265291960797752,0.4589644301281612
EOS-2-34572,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccsc5)s4)n23)cn1,LCVZWLZZXABCBC-UHFFFAOYSA-N,2,1,0.256,10,673,478.965,6.227,6,0.301,0.61,0.679,0.019515454732369267,0.06545987252415873,0.8132067712973751,0.87507710232335,0.44331480021931324
EOS-2-34573,COCc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)n1,NAMQVXQUJOUKAU-UHFFFAOYSA-N,2,1,0.5,15,561,478.965,4.731,5,0.318,0.64,1.0,0.639469536015352,0.6389897882256186,0.4304708381879241,0.412394626824755,0.5303311973134124
EOS-2-34574,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1csc(C)n1,MUHXBISHOYAGIT-UHFFFAOYSA-N,2,1,0.511,35,777,478.965,4.902,5,0.328,0.74,1.0,0.7517305188129669,0.7448427112603659,0.5423634432184223,0.45351586594476045,0.623113134809129
EOS-2-34575,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1csc(C)n1,FPFVSHVTRKZJPC-UHFFFAOYSA-N,2,1,0.528,15,777,478.965,4.902,5,0.307,0.75,1.0,0.7603231444040847,0.7747755465698033,0.5456959769721061,0.4406740456445754,0.6303671783976423
EOS-2-34576,CN(C)Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)s1,RAYBEFIQNBXRMY-UHFFFAOYSA-N,2,1,0.432,75,43,478.969,3.999,5,0.324,0.72,1.0,0.3932903844835858,0.44024569940374203,0.2610170653142348,0.21797683503529572,0.3281324960592146
EOS-2-34577,Clc1cccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)c1,YMOMYNSBYYMWLR-UHFFFAOYSA-N,2,1,0.372,32,20,479.015,6.42,6,0.292,0.67,1.0,0.12232711945719964,0.21499554519909533,0.43442875745322457,0.6029915701459804,0.343685748063875
EOS-2-34578,Cc1cc(-c2nnc3cncc(-c4c(C5=CCOCC5)nc(C)n4C)n23)ccc1Cl,BPDNOLWKAIYMGD-UHFFFAOYSA-N,2,1,0.33,78,792,420.904,4.266,5,0.495,0.59,0.997,0.11445411555068193,0.24578507299019944,0.09068946610924543,0.19209615516414227,0.16075620245356728
EOS-2-34579,Cc1cc(Cl)c(F)cc1-c1nnc2cncc(-c3ccc(-c4ccsc4)cc3)n12,FDIOWGBKNTXGBP-UHFFFAOYSA-N,2,1,0.333,96,558,420.9,6.288,5,0.344,0.83,1.0,0.39329895140840243,0.5389880748406553,0.9588359262559112,0.9708467548488795,0.7154924268384621
EOS-2-34580,Clc1ccc(-c2nnc3cncc(OCc4csnc4-c4ccccc4)n23)cn1,RNTCXILRMWAUFV-UHFFFAOYSA-N,2,1,0.471,97,700,420.885,4.542,5,0.388,0.67,1.0,0.6423308889041189,0.716888835583579,0.5117538208484682,0.5972774312932629,0.6170627441573573
EOS-2-34581,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)s1,KMRCVWGBDDHZOS-UHFFFAOYSA-N,2,1,0.562,24,786,420.885,4.542,5,0.415,0.81,1.0,0.6306970050030841,0.77478411349462,0.5390394763895552,0.5725618531971763,0.6292706120211089
EOS-2-34582,Clc1cccc(-c2ccnc(-c3nnc4cncc(OCc5ccns5)n34)c2)c1,MOJVADPRLKOCKH-UHFFFAOYSA-N,2,1,0.453,97,160,420.885,4.542,5,0.415,0.71,1.0,0.5084127201699677,0.5344390377630046,0.57571448152971,0.6765129189226236,0.5737697895963265
EOS-2-34583,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)s1,ZBOZOBSYQAGPBZ-UHFFFAOYSA-N,2,1,0.536,2,422,420.885,4.542,5,0.415,0.72,1.0,0.5712254129257761,0.6684771434445891,0.5945188815022959,0.6330357754780344,0.6168143033376738
EOS-2-34584,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccsc5)ncn4)n23)cc1,NTUPLUATNSRPDN-UHFFFAOYSA-N,2,1,0.556,4,675,420.885,4.542,5,0.415,0.74,1.0,0.791883695428689,0.9054040161743541,0.6401548900006854,0.6854824892056748,0.7557312727023509
EOS-2-34585,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)nc1,ILIGHUUBGXGOBJ-UHFFFAOYSA-N,2,1,0.5,97,19,420.885,4.542,5,0.415,0.78,1.0,0.8160509903365089,0.8274535672674936,0.504463367829484,0.5662308957576588,0.6785497052977864
EOS-2-34586,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cn1,GORJQCQSHBKQLU-UHFFFAOYSA-N,2,1,0.564,2,390,420.885,4.542,5,0.388,0.67,1.0,0.5034267699266671,0.7578044685079843,0.6603899664176547,0.6825868686176411,0.6510520183674868
EOS-2-34587,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)cc1,GPMQXSMCVKSDND-UHFFFAOYSA-N,2,1,0.584,4,534,420.885,4.542,5,0.415,0.78,1.0,0.77478411349462,0.8911143855801521,0.5850438626550614,0.6560893701596875,0.7267579329723802
EOS-2-34588,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1,WDEIRVRKXHVGRY-UHFFFAOYSA-N,2,1,0.506,46,119,420.885,4.542,5,0.415,0.74,1.0,0.4267270920430402,0.5768281817558769,0.6102905900897814,0.6647847988486053,0.569657665684326
EOS-2-34589,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cc1,NWEGPIMUGSYUIS-UHFFFAOYSA-N,2,1,0.636,1,850,420.885,4.542,5,0.415,0.74,1.0,0.7152182852443287,0.8961603042971695,0.6518316085258036,0.6881039681995751,0.7378285415667193
EOS-2-34590,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccn2)s1,LLJNTATYOCJSRR-UHFFFAOYSA-N,2,1,0.466,13,110,420.885,5.064,5,0.404,0.77,1.0,0.5265746007813036,0.6158248235213488,0.5622387087930917,0.60016448495648,0.576200654513056
EOS-2-34591,Clc1ccccc1-c1nnc2cncc(OCc3ccc(-c4cscn4)cn3)n12,HXBIDECZPLKDRN-UHFFFAOYSA-N,2,1,0.588,1,850,420.885,4.542,5,0.415,0.79,1.0,0.5794410938249606,0.7354619285861147,0.6073521348776643,0.6560979370845041,0.644588273593311
EOS-2-34592,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)nc4)n23)cc1,CVXYIHZZAGRRHS-UHFFFAOYSA-N,2,1,0.681,24,805,420.885,4.542,5,0.415,0.78,1.0,0.930136728120074,0.92492803783154,0.6518401754506202,0.6825954355424577,0.7973750942361729
EOS-2-34593,Clc1ccc(-c2nnc3cncc(OCc4csc(-c5cccnc5)n4)n23)cc1,LJLABBSTRWQTAJ-UHFFFAOYSA-N,2,1,0.608,97,436,420.885,4.542,5,0.415,0.8,1.0,0.6760931396066068,0.877835652114317,0.5082585155232677,0.585155232677678,0.6618356349804674
EOS-2-34594,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncs5)c4)n23)cc1,VTOKTTXKVPZRJB-UHFFFAOYSA-N,2,1,0.667,97,91,420.885,4.542,5,0.415,0.75,1.0,0.9096360770337879,0.9174062778425056,0.7216606127064629,0.7529213213624837,0.8254060722363101
EOS-2-34595,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c1,HHBCIOVRRLGBKQ-UHFFFAOYSA-N,2,1,0.615,1,22,420.885,4.542,5,0.415,0.71,1.0,0.562795558906175,0.7402251387841821,0.5945274484271126,0.6242546775409499,0.630450705914605
EOS-2-34596,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)nc1,AFONBUQHIQBGQX-UHFFFAOYSA-N,2,1,0.618,97,744,420.885,4.542,5,0.415,0.62,1.0,0.6168699883489822,0.7076965252552944,0.6929185799465424,0.7213779041875128,0.6847157494345829
EOS-2-34597,Clc1ccccc1-c1nnc2cncc(OCc3csc(-c4ccncc4)n3)n12,GSHUFTCNJIZTDA-UHFFFAOYSA-N,2,1,0.537,97,436,420.885,4.542,5,0.415,0.84,1.0,0.4545181961483106,0.6586337468302378,0.487543691316565,0.5662394626824755,0.5417337742443972
EOS-2-34598,Clc1ccncc1COc1cncc2nnc(-c3ccc(-c4cccs4)cn3)n12,PCGMEIPMBNVFTI-UHFFFAOYSA-N,2,1,0.432,46,62,420.885,4.542,5,0.415,0.78,1.0,0.6881211020492084,0.6684857103694058,0.6368908916455349,0.6826040024672744,0.6690254266328559
EOS-2-34599,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)nn2)cc1,POMJHNPHWSQODN-UHFFFAOYSA-N,2,1,0.506,54,691,420.885,4.542,5,0.415,0.8,0.999,0.645192241792886,0.707705092180111,0.5881622232883285,0.6765214858474402,0.6543952607771915
EOS-2-34600,Clc1cc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)ccn1,ZNIUMZSZWOHGLH-UHFFFAOYSA-N,2,1,0.542,1,700,420.885,4.542,5,0.388,0.72,1.0,0.48848605304639847,0.6246487560825166,0.45942704406826124,0.519883832499486,0.5231114214241656
EOS-2-34601,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncs5)cn4)n23)cc1,JKTRVLVAMWETLO-UHFFFAOYSA-N,2,1,0.658,97,744,420.885,4.542,5,0.415,0.72,1.0,0.7396168871221986,0.9054125830991707,0.6710986224384895,0.7022479610718936,0.7545940134329381
EOS-2-34602,COc1cc(-c2cscn2)ccc1-c1cncc2nnc(-c3ccnc(Cl)c3)n12,BICFFWPGTYSNDV-UHFFFAOYSA-N,2,1,0.37,96,697,420.885,4.639,5,0.394,0.69,1.0,0.36599616201768215,0.3415461585909122,0.6983157425810431,0.6765300527722569,0.5205970289904736
EOS-2-34603,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccsc5)n4)n23)cc1,GEUPYPXPUMGKME-UHFFFAOYSA-N,2,1,0.577,97,335,420.885,4.542,5,0.415,0.83,1.0,0.8807141388527174,0.9266842574189569,0.5288962374066205,0.603000137070797,0.734823692687273
EOS-2-34604,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4)n23)cc1,KJTWXZFFUSFOAB-UHFFFAOYSA-N,2,1,0.714,43,909,420.885,4.542,5,0.415,0.87,1.0,0.7975635665821397,0.8778442190391337,0.7266722637242136,0.7754437667055034,0.7943809540127476
EOS-2-34605,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cnsc4)cn3)n12,WOSFYLDAWPXVKM-UHFFFAOYSA-N,2,1,0.392,96,680,420.885,4.639,5,0.421,0.77,1.0,0.3798403125214173,0.4447262010828593,0.692927146871359,0.7022565279967103,0.5549375471180864
EOS-2-34606,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1,KFPQNQBSZKFXLE-UHFFFAOYSA-N,2,1,0.447,2,119,420.885,4.542,5,0.415,0.75,1.0,0.6335412240422178,0.6158333904461655,0.6545387567678707,0.6966109245425263,0.650131073949695
EOS-2-34607,Clc1ccccc1-c1nnc2cncc(OCc3ccc(-c4csnn4)cc3)n12,RKUOQXASOZGJQF-UHFFFAOYSA-N,2,1,0.57,43,909,420.885,4.542,5,0.415,0.87,1.0,0.5109827976149681,0.7029247481324103,0.687358645740525,0.7503426769926667,0.6629022171201425
EOS-2-34608,Clc1cncc(COc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)c1,AFWLPBSJYBKTTA-UHFFFAOYSA-N,2,1,0.494,2,419,420.885,4.542,5,0.415,0.78,1.0,0.6222842848331163,0.6158419573709821,0.7135220341306284,0.7478668357206497,0.6748787780138441
EOS-2-34609,Clc1ccccc1-c1nnc2cncc(OCc3nc(-c4ccncc4)cs3)n12,VBNSPFXBZRYXAF-UHFFFAOYSA-N,2,1,0.537,97,436,420.885,4.542,5,0.415,0.82,1.0,0.4448547049551093,0.6541275443766705,0.48755225824138165,0.5789442121855939,0.5413696799396888
EOS-2-34610,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cccs5)nc4)n23)c1,HJLUZEYPZXEGBX-UHFFFAOYSA-N,2,1,0.5,55,283,420.885,4.542,5,0.415,0.75,1.0,0.7720598314029196,0.8159481872387088,0.6130834075800151,0.6475824138167363,0.712168460009595
EOS-2-34611,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2)nc1,XAGSLFXPSQJGMG-UHFFFAOYSA-N,2,1,0.557,97,666,420.885,4.542,5,0.415,0.66,1.0,0.8639658008361318,0.7535210060996504,0.6043537111918306,0.6561065040093208,0.7194867555342334
EOS-2-34612,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)s1,MDKWIJIOTVTOFM-UHFFFAOYSA-N,2,1,0.494,46,119,420.885,4.542,5,0.415,0.77,1.0,0.5766225755602769,0.6732746213419231,0.6011582482352135,0.644729627852786,0.6239462682475498
EOS-2-34613,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)cc1,ACBZPEDMXHIWSX-UHFFFAOYSA-N,2,1,0.557,97,801,420.885,4.542,5,0.415,0.73,1.0,0.6307055719279008,0.7747926804194366,0.6011668151600301,0.6765386196970735,0.6708009218011103
EOS-2-34614,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccs5)cn4)n23)cn1,ZJBVVNKYNBJZGI-UHFFFAOYSA-N,2,1,0.448,46,959,420.885,4.542,5,0.388,0.84,1.0,0.6938609416763758,0.6684942772942225,0.6163645397847989,0.6389640874511685,0.6544209615516414
EOS-2-34615,CCn1nc(-c2nc(C)nn2C)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,YLSKSTYVDVEOJT-UHFFFAOYSA-N,2,1,0.4,22,542,420.868,2.827,5,0.44,0.68,1.0,0.20256493729011035,0.317618737577959,0.00477177712288397,0.014221095195668563,0.1347941367966555
EOS-2-34616,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n(C)n1,OULJMWCANGGLPB-UHFFFAOYSA-N,2,1,0.549,36,32,420.864,3.158,5,0.434,0.74,1.0,0.5628041258309917,0.7491347405935166,0.23965972174628195,0.28306832979233776,0.45866672949078197
EOS-2-34617,CCn1cc(-c2cc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)nn2C)cn1,WFRSQXODMOPFEJ-UHFFFAOYSA-N,2,1,0.512,95,956,420.864,3.854,5,0.429,0.82,1.0,0.1690425604824892,0.307355561647591,0.2833167706120211,0.33889041189774516,0.2746513261599616
EOS-2-34618,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)nn2C)cn1,KYNAYIULIPGSPS-UHFFFAOYSA-N,2,1,0.506,95,956,420.864,3.854,5,0.429,0.79,1.0,0.21627201699677884,0.29731512576245633,0.29778630662737304,0.3420259063806456,0.28834983894181343
EOS-2-34619,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)n(C)n4)n23)cc1,ZGCBQZCWBFIFNS-UHFFFAOYSA-N,2,1,0.488,36,320,420.864,3.158,5,0.434,0.73,1.0,0.41278870536632173,0.5344476046878213,0.39438695086011927,0.37117915153176617,0.4282006031115071
EOS-2-34620,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)cc2)cn1,RQBVJXTXNDATHA-UHFFFAOYSA-N,2,1,0.566,15,519,420.86,4.06,5,0.412,0.8,1.0,0.7276317593036804,0.7168974025083956,0.6462288396957029,0.6156277842505654,0.676596446439586
EOS-2-34621,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)o4)n23)cc1,RRBVCRVXKWOPIH-UHFFFAOYSA-N,2,1,0.553,15,320,420.86,4.06,5,0.412,0.68,1.0,0.8683006647933658,0.7535295730244671,0.6222157494345829,0.5972859982180796,0.7103329963676238
EOS-2-34622,Cn1nc(-c2nnc3cncc(OCCc4ccoc4)n23)cc1-c1ccc(Cl)cc1,IHTUQHDWCPRYNX-UHFFFAOYSA-N,2,1,0.542,95,835,420.86,4.06,5,0.412,0.79,1.0,0.5009166609553835,0.44901823041600986,0.497472757179083,0.5565588376396409,0.5009916215475293
EOS-2-34623,Cc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n(C)n2)nn1,SRQVANYVEFJMLE-UHFFFAOYSA-N,2,1,0.367,22,844,420.839,3.75,5,0.442,0.8,1.0,0.24133883901034883,0.4490267973408265,0.542372010143239,0.6156363511753821,0.46209349941744904
EOS-2-34624,Cc1nn(C)c(-c2ccnnc2)c1-c1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,KBNOWYMUJVNIFT-UHFFFAOYSA-N,2,1,0.382,22,844,420.839,3.75,5,0.442,0.7,1.0,0.16093824960592146,0.38472345966691796,0.552506682201357,0.6447381947776026,0.4357266465629498
EOS-2-34625,Cc1nc(-c2ccc(Cl)c(F)c2)c(-c2nnc3cncc(-c4cnccn4)n23)n1C,VJBXAFNTSPMTFK-UHFFFAOYSA-N,2,1,0.308,50,961,420.839,3.75,5,0.442,0.77,0.992,0.16905112740730588,0.2922863408950723,0.38336131862106776,0.5096549242683847,0.3385884277979576
EOS-2-34626,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)n1C,OVXMKOPOKIPAMP-UHFFFAOYSA-N,2,1,0.386,22,844,420.839,3.75,5,0.442,0.74,1.0,0.22464190254266328,0.4886830923171818,0.3943955177849359,0.5198923994243027,0.40690322801727097
EOS-2-34627,Cc1nn(C)c(-c2ccnnc2)c1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,ZZUACKNLSZBQAT-UHFFFAOYSA-N,2,1,0.389,22,844,420.839,3.75,5,0.442,0.68,1.0,0.10404530189843054,0.3992872318552532,0.5044719347543006,0.6214532931258995,0.407314440408471
EOS-2-34628,Cc1nc(-c2ccnn2C)cc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)n1,MPSAFVFASWQVQL-UHFFFAOYSA-N,2,1,0.371,22,844,420.839,3.75,5,0.442,0.71,1.0,0.23287471729148104,0.39436125008566925,0.5590089781372078,0.6063069700500309,0.4481379788910973
EOS-2-34629,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)cc2)cn1,FDIBOZRWSRUOTH-UHFFFAOYSA-N,2,1,0.56,13,15,420.835,4.777,5,0.418,0.83,1.0,0.5240216571859365,0.702933315057227,0.8793776985813172,0.8891011582482352,0.7488584572681789
EOS-2-34630,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)ccc1Cl,XDCRCOIDHKDNGU-UHFFFAOYSA-N,2,1,0.716,43,96,420.835,4.553,5,0.451,0.75,1.0,0.9728514152559797,0.951956685628127,0.9195994105955726,0.922400795010623,0.9417020766225757
EOS-2-34631,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cc2)cn1,JIWPYCGSVRESMZ-UHFFFAOYSA-N,2,1,0.571,13,15,420.835,4.777,5,0.418,0.82,1.0,0.5912548831471455,0.8414947570420122,0.9168151600301556,0.9134826262764718,0.8157618566239462
EOS-2-34632,Cn1cc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,QKEJJEXCCNHBSS-UHFFFAOYSA-N,2,1,0.531,13,145,420.835,4.777,5,0.418,0.78,1.0,0.4908762250702488,0.5966006442327462,0.9007607429237201,0.9011462545404701,0.7223459666917963
EOS-2-34633,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)cc2)n1,UEPYCJUPCIDCAV-UHFFFAOYSA-N,2,1,0.676,13,15,420.835,4.777,5,0.418,0.81,1.0,0.688129668974025,0.7790076074292372,0.8913628263998356,0.8891097251730519,0.8119024569940374
EOS-2-34634,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)cc1-c1ccccc1,FNWUOJHWHBWRSX-UHFFFAOYSA-N,2,1,0.556,19,616,420.835,4.777,5,0.418,0.83,1.0,0.45677129737509425,0.5114625454047015,0.7901703104653554,0.8455726132547461,0.6509941916249743
EOS-2-34635,Cn1nccc1-c1cccc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)c1,XGPOKLFJXAVVMX-UHFFFAOYSA-N,2,1,0.628,13,15,420.835,4.777,5,0.418,0.63,1.0,0.5739839627167432,0.6158505242957988,0.8901206223014186,0.8931361798368858,0.7432728222877116
EOS-2-34636,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cc3)n12,RIPKNAVWSVATNY-UHFFFAOYSA-N,2,1,0.577,43,146,420.835,4.349,5,0.423,0.76,1.0,0.5571927900760743,0.8159567541635254,0.879386265506134,0.8891182920978685,0.7854135254609005
EOS-2-34637,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)ccc1Cl,MXUJGPCLSCIACZ-UHFFFAOYSA-N,2,1,0.64,43,96,420.835,4.349,5,0.423,0.76,1.0,0.6512062230141868,0.8608388732780481,0.8985419093962032,0.9011548214652868,0.8279354567884313
EOS-2-34638,Fc1cccc(-c2c[nH]c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,YTFZXVNCDOTMNR-UHFFFAOYSA-N,2,1,0.556,34,372,420.835,4.553,5,0.451,0.8,1.0,0.8706651360427661,0.8961688712219862,0.827779110410527,0.8764478102940169,0.867765231992324
EOS-2-34639,Fc1ccccc1-n1nccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,GIXNJUNGGBGANP-UHFFFAOYSA-N,2,1,0.575,34,372,420.835,4.349,5,0.423,0.82,1.0,0.6423394558289356,0.8778527859639503,0.790178877390172,0.8473202659173463,0.7894228462751011
EOS-2-34640,Fc1cc(Cl)cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)c1,HMVWEGPQSIKWFB-UHFFFAOYSA-N,2,1,0.556,59,439,420.835,4.349,5,0.423,0.75,1.0,0.5656654787197588,0.6294291001302172,0.9052069769035707,0.9068518264683709,0.7517883455554795
EOS-2-34641,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-n4ccnc4)cc3)n12,RMPCQDRUPIQUSP-UHFFFAOYSA-N,2,1,0.519,59,671,420.835,4.349,5,0.423,0.74,1.0,0.6056044822150641,0.6246573230073333,0.8868309231718182,0.894498320882736,0.7528977623192379
EOS-2-34642,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)cc1Cl,QHOJLQYLZJMZLC-UHFFFAOYSA-N,2,1,0.64,43,96,420.835,4.349,5,0.423,0.75,1.0,0.6195685696662326,0.7790161743540539,0.8985504763210198,0.9011633883901035,0.7995746521828525
EOS-2-34643,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)c(Cl)c1,WRWJSVCHKRPPPN-UHFFFAOYSA-N,2,1,0.58,34,10,420.835,4.349,5,0.423,0.71,1.0,0.5794496607497772,0.7260297443629635,0.8511411143855802,0.8692687272976493,0.7564723116989925
EOS-2-34644,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2)cn1,DLUAZSBIYSPFHW-UHFFFAOYSA-N,2,1,0.571,13,15,420.835,4.777,5,0.418,0.79,1.0,0.5418494277294222,0.7260383112877802,0.908265369063121,0.9033222534439038,0.7698688403810569
EOS-2-34645,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4cn[nH]c4)cc3)n12,KVLNKHDABNYQPO-UHFFFAOYSA-N,2,1,0.561,43,178,420.835,4.553,5,0.451,0.74,1.0,0.9512456308683435,0.9249366047563566,0.9318329792337743,0.9374957165375917,0.9363777328490165
EOS-2-34646,COc1ccc(-c2nnc3cncc(-c4cnn(-c5cc(Cl)ccc5F)c4)n23)cc1,NZFGXRGYGXRZEF-UHFFFAOYSA-N,2,1,0.443,96,46,420.835,4.445,5,0.429,0.82,1.0,0.1040538688232472,0.4536015351929272,0.8879788910972517,0.887687615653485,0.5833304776917279
EOS-2-34647,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1Cl,XMOSVYLOLYOWBD-UHFFFAOYSA-N,2,1,0.716,43,96,420.835,4.553,5,0.451,0.76,1.0,0.9721232266465629,0.9519652525529436,0.9196079775203893,0.9224093619354397,0.9415264546638338
EOS-2-34648,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)cc1-c1ccc(F)cc1,XKILGRMNBBQAGN-UHFFFAOYSA-N,2,1,0.558,34,266,420.835,4.777,5,0.418,0.84,1.0,0.4427815091494757,0.5528921938181071,0.8048882873003906,0.8674868069357823,0.6670121993009389
EOS-2-34649,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-n4cccn4)cc3)n12,VNERDPJZOCSUGB-UHFFFAOYSA-N,2,1,0.538,34,671,420.835,4.349,5,0.423,0.8,1.0,0.5059197450483175,0.6107275032554315,0.8541481049962305,0.8738263313001166,0.7111554211500241
EOS-2-34650,Fc1cccc(-n2nccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,YEYFPDBOHMFEBD-UHFFFAOYSA-N,2,1,0.575,34,372,420.835,4.349,5,0.423,0.78,1.0,0.6512147899390035,0.8721472140360497,0.8112620793639915,0.8626293605647317,0.7993133609759442
EOS-2-34651,COc1cc(Cl)ccc1-c1nnc2cncc(-c3cnn(-c4cccc(F)c4)c3)n12,KAEVDRUCUIIIGP-UHFFFAOYSA-N,2,1,0.368,45,46,420.835,4.445,5,0.429,0.75,1.0,0.06589678568980879,0.42253786580768965,0.8645740524981153,0.8792834624083339,0.5580730416009869
EOS-2-34652,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cccc4)cn3)n12,PDTDKINARYIAMB-UHFFFAOYSA-N,2,1,0.58,34,10,420.835,4.349,5,0.423,0.7,1.0,0.6364882461791516,0.819734768007676,0.852666027002947,0.8692772942224659,0.7945415838530601
EOS-2-34653,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3cnccc3-n3cccc3)n12,MRUZVKRGQFBKPE-UHFFFAOYSA-N,2,1,0.476,59,671,420.835,4.349,5,0.423,0.68,1.0,0.5292303474744706,0.5437170173394559,0.8380851209649784,0.8659704612432322,0.6942507367555343
EOS-2-34654,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)cc1Cl,BSGRSDFRKIWUIW-UHFFFAOYSA-N,2,1,0.6,4,71,420.835,4.349,5,0.423,0.71,1.0,0.6452008087177027,0.7619251593448015,0.8756253855116167,0.882144815297101,0.7912240422178054
EOS-2-34655,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)cc4)n23)cc1,GXFYPLKBUBLXMB-UHFFFAOYSA-N,2,1,0.694,43,909,420.835,4.349,5,0.423,0.85,1.0,0.7276403262284971,0.8274621341923103,0.8702196559522993,0.8876961825783017,0.8282545747378521
EOS-2-34656,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cc2)cn1,SFRYJFPTJCGQHI-UHFFFAOYSA-N,2,1,0.704,13,15,420.835,4.777,5,0.418,0.8,1.0,0.6195771365910493,0.7790247412788706,0.9177746556096223,0.9148104996230553,0.8077967582756493
EOS-2-34657,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cccc(-c4cc[nH]n4)c3)n12,PCXIQENUEXDVFG-UHFFFAOYSA-N,2,1,0.5,43,521,420.835,4.553,5,0.451,0.72,1.0,0.8935473922280858,0.8663388390103488,0.8913713933246522,0.9091391953944212,0.890099204989377
EOS-2-34658,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,YZZRJUMHKZWLPR-UHFFFAOYSA-N,2,1,0.466,92,728,420.824,2.004,5,0.42,0.75,1.0,0.5084212870947844,0.5160886848057021,0.10809745733671441,0.16216331985470495,0.32369268727297645
EOS-2-34659,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)cc1,FNZQVYPAVJPSKP-UHFFFAOYSA-N,2,1,0.544,36,447,420.824,2.004,5,0.393,0.69,1.0,0.6307141388527174,0.529864299910904,0.1334298540196011,0.1515917346309369,0.3614000068535399
EOS-2-34660,Clc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5nc[nH]n5)c4)n23)n1,PHUAVKGMURYZRO-UHFFFAOYSA-N,2,1,0.447,75,359,420.824,2.036,5,0.409,0.63,1.0,0.5572013570008909,0.5624271811390583,0.06794428072099239,0.09720889589472963,0.3211954286889178
EOS-2-34661,Cn1cnc(COc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)ccn4)n23)n1,HSDODIJNZXVHGQ-UHFFFAOYSA-N,2,1,0.358,51,435,420.824,2.004,5,0.393,0.65,0.996,0.23851175382084847,0.2815434171749709,0.09775717908299637,0.10557021451579741,0.18084564114865329
EOS-2-34662,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)cn1,CVUNDZZKDSTIEH-UHFFFAOYSA-N,2,1,0.375,53,924,420.824,2.004,5,0.42,0.59,0.997,0.32580871770269343,0.3513895552052635,0.09512713316427936,0.11257795901583167,0.22122584127201697
EOS-2-34663,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cn2)nn1,VPZLQPIGDFEUMB-UHFFFAOYSA-N,2,1,0.407,7,828,420.824,2.004,5,0.42,0.59,1.0,0.27558083750257006,0.3943698170104859,0.10014735110684668,0.13265026386128434,0.22568706737029676
EOS-2-34664,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)nn1,OLQJVYDUGQJCIA-UHFFFAOYSA-N,2,1,0.511,36,499,420.824,2.036,5,0.438,0.69,1.0,0.803149201562607,0.8081608525803577,0.13047426495785072,0.17832910698375712,0.4800283565211432
EOS-2-34665,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)n1,WJQAFYFNTVQWBW-UHFFFAOYSA-N,2,1,0.444,36,617,420.824,2.004,5,0.42,0.66,1.0,0.38209341374820094,0.5026386128435337,0.08356178466177781,0.09521280241244603,0.26587665341648964
EOS-2-34666,Cn1cnnc1-c1cnnc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,OEVMXHSBXPXNRN-UHFFFAOYSA-N,2,1,0.456,53,105,420.824,2.004,5,0.42,0.66,1.0,0.30026214789939004,0.3847320265917346,0.10810602426153108,0.15399904050442054,0.23677480981426907
EOS-2-34667,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5nc[nH]n5)ncn4)n23)n1,HMTVJFNNDBYVTQ-UHFFFAOYSA-N,2,1,0.386,31,194,420.824,2.036,5,0.409,0.53,0.958,0.5315177164005209,0.479961962853814,0.08592625591117813,0.12411760674388321,0.3053808854773491
EOS-2-34668,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)cn1,HZPVTHYSMINVRP-UHFFFAOYSA-N,2,1,0.464,65,779,420.824,2.036,5,0.438,0.58,0.999,0.5265831677061202,0.6541361113014872,0.12489719690219998,0.15945617161263792,0.36626816188061134
EOS-2-34669,Clc1ncc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cn1,NLHHOUSROTTYNP-UHFFFAOYSA-N,2,1,0.562,15,320,420.824,2.036,5,0.409,0.73,1.0,0.8969741621547529,0.7835566445068878,0.18036803509012406,0.20032896991296004,0.5153069529161812
EOS-2-34670,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1,CULPLHRQMUHKEN-UHFFFAOYSA-N,2,1,0.542,36,447,420.824,2.004,5,0.42,0.72,1.0,0.5059283119731341,0.5208947296278528,0.09776574600781303,0.1369165924199849,0.3153763450071962
EOS-2-34671,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)n1,WEFSUQZNODZRQE-UHFFFAOYSA-N,2,1,0.494,20,320,420.824,2.036,5,0.438,0.7,1.0,0.7216006442327462,0.7307672537865808,0.1334384209444178,0.17833767390857377,0.44103599821807965
EOS-2-34672,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cn1,LWHCMJDUENRGHB-UHFFFAOYSA-N,2,1,0.42,51,924,420.824,2.004,5,0.42,0.64,1.0,0.4859759440751148,0.47537009115208007,0.06391782605715852,0.07890994448632718,0.2760434514426702
EOS-2-34673,Cn1cc(-c2nccc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)n2)cn1,HRTBYGYUAYGCPF-UHFFFAOYSA-N,2,1,0.477,92,434,420.824,2.004,5,0.393,0.65,1.0,0.3231958056336098,0.444734768007676,0.11339181687341512,0.10776334726886437,0.24727143444589134
EOS-2-34674,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)c(Cl)c2)n1,FJFJWWBKDTWCRI-UHFFFAOYSA-N,2,1,0.494,36,815,420.824,2.004,5,0.42,0.64,1.0,0.3751627715715167,0.5254180659310533,0.12229285175793297,0.15681755876910425,0.29492281200740184
EOS-2-34675,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)n1,ONGVGNMTJBTANN-UHFFFAOYSA-N,2,1,0.506,36,185,420.824,2.004,5,0.42,0.66,1.0,0.33589198821191146,0.4886916592419985,0.08835926255911178,0.12412617366869988,0.2592672709204304
EOS-2-34676,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2)n1,ZQXSFCXOOKPXRW-UHFFFAOYSA-N,2,1,0.476,36,447,420.824,2.004,5,0.393,0.68,1.0,0.5109913645397848,0.5160972517305188,0.07876430676444383,0.09929922554999657,0.301288037146186
EOS-2-34677,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)nn2)cn1,AKWQWJHCLJVQGM-UHFFFAOYSA-N,2,1,0.362,53,44,420.824,2.004,5,0.393,0.63,0.995,0.2785192927146871,0.3658162565965321,0.09513570008909601,0.11258652594064834,0.2130144438352409
EOS-2-34678,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ncn2)n1,ZIWUYCAQIRIFRY-UHFFFAOYSA-N,2,1,0.383,53,587,420.824,2.004,5,0.42,0.59,1.0,0.28682064286203823,0.292294907819889,0.10545884449318073,0.11717839764238229,0.20043819820437256
EOS-2-34679,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)n1,VWWABJPMZILUMD-UHFFFAOYSA-N,2,1,0.513,36,19,420.824,2.004,5,0.42,0.7,1.0,0.5315262833253376,0.4840655198409979,0.0787728736892605,0.09930779247481324,0.29841811733260226
EOS-2-34680,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cn1,ZLNJBSIJKKTZBX-UHFFFAOYSA-N,2,1,0.44,36,45,420.824,2.004,5,0.42,0.63,1.0,0.40381056815845384,0.4710266602700295,0.0810602426153108,0.0993163593996299,0.263803457610856
EOS-2-34681,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cncnc1,OSKLGBRKKONCJJ-UHFFFAOYSA-N,2,1,0.413,53,694,420.824,2.004,5,0.42,0.69,0.999,0.23852032074566515,0.2661743540538688,0.11931156192173258,0.14167980261805221,0.1914215098348297
EOS-2-34682,Cn1nncc1-c1ccnc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)c1,MPVFKBWLDGXDFF-UHFFFAOYSA-N,2,1,0.358,51,211,420.824,2.004,5,0.393,0.7,1.0,0.26781063669385236,0.29230347474470564,0.09514426701391268,0.11718696456719896,0.1931113357549174
EOS-2-34683,Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5ncc(Cl)cn5)n4)n23)cn1,QTKWSVTXGKKIJM-UHFFFAOYSA-N,2,1,0.452,51,185,420.824,2.098,5,0.42,0.69,1.0,0.2868292097868549,0.4135168939757385,0.04367418271537249,0.056618806113357546,0.20015977314783084
EOS-2-34684,Cc1ccc(-c2nnc3cncc(OCc4cnn(-c5cncc(Cl)n5)n4)n23)cn1,YSDHSUSUVWIHMM-UHFFFAOYSA-N,2,1,0.495,92,185,420.824,2.098,5,0.42,0.63,1.0,0.1915821396751422,0.3706651360427661,0.0639263929819752,0.0822339113151943,0.17710189500376944
EOS-2-34685,Cn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)n1,CPPXKSXETBYEQB-UHFFFAOYSA-N,2,1,0.437,51,946,420.824,2.004,5,0.393,0.65,1.0,0.43817250359810844,0.5918974025083956,0.12751010897128368,0.1369251593448016,0.3236262936056473
EOS-2-34686,Cn1cnnc1-c1nncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,QCNNMWZJVRWDQE-UHFFFAOYSA-N,2,1,0.562,36,404,420.824,2.004,5,0.42,0.67,1.0,0.6820214515797409,0.7790333082036872,0.05249811527654033,0.11719553149201563,0.407687101637996
EOS-2-34687,Cn1nc(-c2cncnc2)nc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,LSTKGRJFTJRYMD-UHFFFAOYSA-N,2,1,0.432,92,435,420.824,2.004,5,0.393,0.66,0.997,0.3976252484408197,0.5872112946336783,0.052506682201357,0.0839901309026112,0.28033333904461655
EOS-2-34688,Cn1cc(-c2cnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)cn1,MUTZBNVCZPXQBM-UHFFFAOYSA-N,2,1,0.4,7,828,420.824,2.004,5,0.42,0.61,1.0,0.2785278596395038,0.3176273045027757,0.14266499897196902,0.14393290384483587,0.2206882667397711
EOS-2-34689,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,HXYMWBFUYALXAT-UHFFFAOYSA-N,2,1,0.519,36,447,420.824,2.004,5,0.42,0.72,1.0,0.5794582276745939,0.5114711123295183,0.07655404016174354,0.11003358234528134,0.3193792406277842
EOS-2-34690,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)n1,XCQDEHPCZORPKB-UHFFFAOYSA-N,2,1,0.362,53,105,420.824,2.004,5,0.42,0.66,0.935,0.29521622918237267,0.34155472551572885,0.07238194777602631,0.11259509286546501,0.20543699883489822
EOS-2-34691,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)nn1,AHZRMSPDJOMOOB-UHFFFAOYSA-N,2,1,0.389,51,36,420.824,2.004,5,0.393,0.66,1.0,0.29786340895072305,0.3847405935165513,0.11932012884654924,0.13693372626961825,0.23471446439586047
EOS-2-34692,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)c1,SZBBREMYUCDBAL-UHFFFAOYSA-N,2,1,0.413,92,36,420.824,2.004,5,0.42,0.57,1.0,0.3029178945925571,0.39929579878006993,0.15797409361935438,0.17834624083339046,0.25963350695634296
EOS-2-34693,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5c[nH]nn5)c4)n23)nn1,AGMYSRHXCSOJEA-UHFFFAOYSA-N,2,1,0.458,53,602,420.824,2.036,5,0.438,0.61,1.0,0.5211346035227195,0.5821225412925776,0.11654444520594888,0.16217188677952163,0.3454933692001919
EOS-2-34694,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cn1,LEFRHCLUNQKWPI-UHFFFAOYSA-N,2,1,0.427,7,45,420.824,2.004,5,0.42,0.66,1.0,0.3910801178808855,0.47997052977863064,0.08357035158659448,0.09932492632444657,0.2634864813926393
EOS-2-34695,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)nn1,DTQCZBXBYWEKEK-UHFFFAOYSA-N,2,1,0.424,7,94,420.824,2.004,5,0.42,0.63,1.0,0.30292646151737374,0.41352546090055514,0.12230141868274964,0.1346292234939346,0.24334564114865329
EOS-2-34696,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1,KATMXHUYJPDUAO-UHFFFAOYSA-N,2,1,0.43,65,779,420.824,2.036,5,0.409,0.57,1.0,0.5822253443903777,0.6830923171818244,0.06595675416352546,0.09325954355424577,0.3561334898224933
EOS-2-34697,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cn1,LCIPPQQAADOKHU-UHFFFAOYSA-N,2,1,0.517,36,728,420.824,2.004,5,0.42,0.77,1.0,0.3590826536906312,0.5026471797683504,0.08836782948392845,0.13929819751901856,0.2723489651154821
EOS-2-34698,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cn1,MDBKIMREAACUII-UHFFFAOYSA-N,2,1,0.429,7,185,420.824,2.004,5,0.42,0.69,1.0,0.4242683846206566,0.46669179631279556,0.09515283393872935,0.11260365979028168,0.2746791686656158
EOS-2-34699,Cn1ncnc1COc1cncc2nnc(-c3ccc(-c4cnc(Cl)nc4)nc3)n12,FVMKJBHGYZSOTH-UHFFFAOYSA-N,2,1,0.416,51,434,420.824,2.004,5,0.393,0.62,1.0,0.44486327187992597,0.5161058186553354,0.0906980330340621,0.0972174628195463,0.2872211465972175
EOS-2-34700,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1cncnc1,IAHCOJZCEDEZQU-UHFFFAOYSA-N,2,1,0.378,51,924,420.824,2.004,5,0.42,0.69,1.0,0.31594818723870877,0.28155198409978754,0.09516140086354602,0.1172040984168323,0.20246641765471868
EOS-2-34701,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cn1,QVGIAKQKQYIODX-UHFFFAOYSA-N,2,1,0.44,92,617,420.824,2.004,5,0.42,0.63,1.0,0.34061236378589543,0.4402542663285587,0.1134003837982318,0.1346377904187513,0.2572262010828593
EOS-2-34702,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)cc1,ICIOGSNEZHRLIM-UHFFFAOYSA-N,2,1,0.536,36,447,420.824,2.004,5,0.393,0.72,1.0,0.46368480570214515,0.5254266328558701,0.1304828318826674,0.1646819957508053,0.321069066547872
EOS-2-34703,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)o1,CAOHYWFQWMVXAS-UHFFFAOYSA-N,2,1,0.379,18,160,420.82,3.172,5,0.395,0.68,1.0,0.4636933726269618,0.45791926530052773,0.20772222602974436,0.20033753683777672,0.3324181001987527
EOS-2-34704,Clc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)n1,UYDYBRHPGXYDGK-UHFFFAOYSA-N,2,1,0.447,87,822,420.82,2.906,5,0.408,0.7,1.0,0.5712339798505929,0.5389966417654719,0.19364676855595916,0.22977349050784732,0.3834127201699678
EOS-2-34705,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)no1,CDGUNGLYWVKTTE-UHFFFAOYSA-N,2,1,0.566,7,420,420.82,3.172,5,0.422,0.62,1.0,0.4150846412171887,0.4934034678911658,0.19708210540744295,0.23262627647179768,0.3345491227468988
EOS-2-34706,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)o1,ILPMYSFOIOVFOQ-UHFFFAOYSA-N,2,1,0.529,43,992,420.82,2.881,5,0.418,0.67,1.0,0.7092471386471112,0.4753786580768967,0.46658899321499553,0.41240319374957163,0.5159044959221438
EOS-2-34707,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)ccn1,BKOWOVACLAXLAA-UHFFFAOYSA-N,2,1,0.522,65,578,420.82,2.906,5,0.382,0.69,1.0,0.625,0.7029418819820438,0.30135871427592353,0.322801727092043,0.4880255808375026
EOS-2-34708,Cc1noc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)n1,PPPCJGVLJHOVME-UHFFFAOYSA-N,2,1,0.549,4,32,420.82,3.172,5,0.422,0.82,1.0,0.7603317113289014,0.804391405661024,0.17056747309985607,0.23263484339661436,0.49198135837159895
EOS-2-34709,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cnncn5)c4)n23)o1,RSBKMPZMFDBVRW-UHFFFAOYSA-N,2,1,0.457,87,227,420.82,2.906,5,0.408,0.59,0.999,0.6667294907819888,0.5966092111575629,0.38708793091631827,0.4026111986841204,0.5132594578849976
EOS-2-34710,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)no1,RGNKMILCULPMQR-UHFFFAOYSA-N,2,1,0.477,7,464,420.82,3.172,5,0.395,0.79,1.0,0.4356452607771914,0.5578867109862243,0.1675604824892057,0.18932903844835858,0.33760537317524497
EOS-2-34711,Cc1noc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,ZBFKJJDJGOPFPS-UHFFFAOYSA-N,2,1,0.542,7,212,420.82,3.172,5,0.422,0.7,1.0,0.7336971420738811,0.7748012473442533,0.1054674114179974,0.17537351792200673,0.44733482968953464
EOS-2-34712,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cnoc5)ncn4)n23)nc1,NRJVLCDOPMMVBG-UHFFFAOYSA-N,2,1,0.462,18,194,420.82,2.906,5,0.408,0.64,0.873,0.4760725789870468,0.4361592762661915,0.2759492152696868,0.3168477143444589,0.37625719621684595
EOS-2-34713,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)c1,CFWAVKJKHCDYNI-UHFFFAOYSA-N,2,1,0.505,87,304,420.82,2.906,5,0.408,0.73,0.989,0.5521897059831403,0.6732831882667397,0.23966828867109863,0.2859039819066548,0.4377612912069083
EOS-2-34714,Clc1cncc(CCOc2cncc3nnc(-c4cnccc4-c4ncco4)n23)n1,UUVVOTUWMFDQFO-UHFFFAOYSA-N,2,1,0.452,20,279,420.82,2.906,5,0.408,0.6,0.998,0.5468867795216229,0.48870022616681513,0.17411417997395656,0.2179854019601124,0.3569216469056267
EOS-2-34715,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)cn1,KVPYLJGPUCECHJ-UHFFFAOYSA-N,2,1,0.461,18,773,420.82,2.906,5,0.382,0.64,1.0,0.6938695086011926,0.6203395928997327,0.28332533753683775,0.3043742718113906,0.4754771777122884
EOS-2-34716,Cc1nc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4cnoc4)n3)n12,FZPIOGNKFLRKIN-UHFFFAOYSA-N,2,1,0.429,7,85,420.82,3.172,5,0.395,0.69,1.0,0.5084298540196012,0.5714138852717429,0.26443526831608527,0.279992803783154,0.40606795284764585
EOS-2-34717,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)c2)o1,CNIYGWLWIJYSSJ-UHFFFAOYSA-N,2,1,0.5,4,506,420.82,3.172,5,0.395,0.72,1.0,0.5158745116852854,0.566899115893359,0.20773079295456104,0.19739051470084298,0.3719737338085121
EOS-2-34718,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)o1,GAFAWZPXFBGXJQ-UHFFFAOYSA-N,2,1,0.488,36,19,420.82,3.172,5,0.422,0.75,1.0,0.6909738880131588,0.6438643684463026,0.18366630114454116,0.18933760537317523,0.42696054074429446
EOS-2-34719,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ncco5)ncn4)n23)cn1,TYTOXUMFCBNQFJ-UHFFFAOYSA-N,2,1,0.451,18,481,420.82,2.906,5,0.382,0.58,1.0,0.5656740456445755,0.4315845384140909,0.22870262490576382,0.25318689603180045,0.3697870262490576
EOS-2-34720,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)no1,DOFSSNYOWQVWAA-UHFFFAOYSA-N,2,1,0.57,7,156,420.82,3.172,5,0.422,0.75,1.0,0.6699249537386059,0.7920207662257556,0.17057604002467275,0.23264341032143102,0.4662912925776163
EOS-2-34721,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)n1,CJLYAOZDNOKKFR-UHFFFAOYSA-N,2,1,0.474,58,954,420.82,2.906,5,0.382,0.75,0.999,0.5240302241107532,0.6389983551504352,0.2077393598793777,0.24708724556233294,0.4044637961757248
EOS-2-34722,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccccc5Cl)n34)cn2)no1,NQVXPWKKBIOSFP-UHFFFAOYSA-N,2,1,0.53,7,212,420.82,3.172,5,0.422,0.69,1.0,0.47087245562332947,0.6203481598245494,0.1426735658967857,0.20341306284696045,0.3593268110479062
EOS-2-34723,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)no1,XSXRZGFUUZRQCS-UHFFFAOYSA-N,2,1,0.529,55,283,420.82,3.172,5,0.395,0.72,1.0,0.5572099239257077,0.5966177780823796,0.2358645740524981,0.24141594133369887,0.4077770543485711
EOS-2-34724,Cc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ncon1,BGVKBZVJXANNNO-UHFFFAOYSA-N,2,1,0.411,46,565,420.82,3.172,5,0.395,0.71,1.0,0.59970187101638,0.5344561716126379,0.2502912754437667,0.2653005277225687,0.4124374614488383
EOS-2-34725,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)c1,FXIFBBJIAMFSJD-UHFFFAOYSA-N,2,1,0.527,65,981,420.82,2.906,5,0.408,0.73,1.0,0.7544376670550339,0.7260468782125968,0.27947878829415396,0.31978616955657596,0.5199373757795902
EOS-2-34726,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)o1,XSDDCSIMCXGXLW-UHFFFAOYSA-N,2,1,0.456,46,238,420.82,3.172,5,0.422,0.71,0.951,0.4381810705229251,0.45361010211774383,0.2682561167843191,0.2653090946473854,0.3563390960180933
EOS-2-34727,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)cn1,RXWRYUHUZDPCRQ-UHFFFAOYSA-N,2,1,0.494,87,142,420.82,2.906,5,0.382,0.64,1.0,0.6138715646631485,0.5966263450071962,0.3346326502638613,0.3547734905078473,0.4749760126105133
EOS-2-34728,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)n1,GVFGMDRHBVJTGM-UHFFFAOYSA-N,2,1,0.5,55,283,420.82,3.172,5,0.395,0.8,1.0,0.6083030635323144,0.5669076828181756,0.2502998423685834,0.2500342676992667,0.41888621410458504
EOS-2-34729,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2)no1,NUGVABCZOXVYGZ-UHFFFAOYSA-N,2,1,0.402,46,565,420.82,3.172,5,0.395,0.81,1.0,0.5546141457062573,0.5578952779110411,0.2430522239736824,0.25004283462408333,0.401401120553766
EOS-2-34730,Cc1noc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,FWSABDCIMHQRJK-UHFFFAOYSA-N,2,1,0.562,51,335,420.82,3.172,5,0.422,0.82,1.0,0.7573332876430676,0.8237355218970598,0.13659961620176822,0.19210472208895896,0.47744328695771365
EOS-2-34731,Clc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncon5)c4)n23)ccn1,OWJXROIZSQJSRW-UHFFFAOYSA-N,2,1,0.519,65,131,420.82,2.906,5,0.382,0.63,1.0,0.5970118566239463,0.5768367486806936,0.3233500102803098,0.3517407991227469,0.4622348536769241
EOS-2-34732,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)o1,KZAYDBKXQQKAJF-UHFFFAOYSA-N,2,1,0.432,51,196,420.82,3.172,5,0.422,0.69,1.0,0.619585703515866,0.6294376670550339,0.20412411760674387,0.19463196490987594,0.41194486327187996
EOS-2-34733,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)n1,NXERIZGGDSDVHX-UHFFFAOYSA-N,2,1,0.5,51,19,420.82,3.172,5,0.422,0.7,1.0,0.6699335206634227,0.6158590912206154,0.1803766020149407,0.18382050579124118,0.412497429922555
EOS-2-34734,Cc1cncc(-c2nc(COc3cncc4nnc(-c5ccccc5Cl)n34)no2)n1,LYBDYOZVNKSVSX-UHFFFAOYSA-N,2,1,0.506,51,446,420.82,3.172,5,0.422,0.71,1.0,0.42427695154547324,0.5114796792543349,0.10811459118634775,0.1783548077582071,0.30555650743609075
EOS-2-34735,Clc1cncc(CCOc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)c1,UMQZTGCVFUSVSQ-UHFFFAOYSA-N,2,1,0.495,65,142,420.82,2.906,5,0.408,0.71,1.0,0.6512233568638202,0.6158676581454321,0.3307346994722774,0.3711877184565828,0.49225335823452815
EOS-2-34736,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)nn1,SSAWVAIRBHCGRP-UHFFFAOYSA-N,2,1,0.462,87,838,420.82,2.906,5,0.408,0.71,1.0,0.5392022479610719,0.5209032965526694,0.19016859708039202,0.22672366527311355,0.3692494517168117
EOS-2-34737,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)n1,JEWVTNRCJJTRTC-UHFFFAOYSA-N,2,1,0.479,58,954,420.82,2.906,5,0.382,0.73,0.999,0.6250085669248167,0.6880697005003084,0.20413268453156055,0.24436296347063258,0.44039347885682956
EOS-2-34738,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)o1,KDVWXYLVSKLMRM-UHFFFAOYSA-N,2,1,0.5,72,208,420.82,3.172,5,0.422,0.77,1.0,0.6667380577068056,0.6880782674251251,0.21783119731341238,0.22356247001576315,0.4490524981152766
EOS-2-34739,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5nnco5)c4)n23)n1,FVOMNDRQLYIQAD-UHFFFAOYSA-N,2,1,0.511,58,241,420.82,2.906,5,0.382,0.69,1.0,0.6056130491398808,0.5669162497429923,0.20774792680419438,0.2500514015489,0.40758215680899185
EOS-2-34740,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,JMUTVERRUYNITF-UHFFFAOYSA-N,2,1,0.494,20,889,420.82,2.906,5,0.408,0.71,1.0,0.7805239531217874,0.7920293331505722,0.2287111918305805,0.26531766157220205,0.5166455349187855
EOS-2-34741,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5conn5)nc4)n23)c1,VVFFQZOGMZZTCW-UHFFFAOYSA-N,2,1,0.527,65,981,420.82,2.906,5,0.408,0.67,1.0,0.6168785552737989,0.6438729353711192,0.3197947364813926,0.3680779247481324,0.48715603796861073
EOS-2-34742,Cc1nc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)no1,UFCFKOYGJRFMKY-UHFFFAOYSA-N,2,1,0.577,4,539,420.82,3.172,5,0.422,0.77,1.0,0.6791172640668905,0.8237440888218766,0.11655301213076553,0.17538208484682338,0.448699112466589
EOS-2-34743,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)o1,GFJXXZYLZITIEX-UHFFFAOYSA-N,2,1,0.456,2,142,420.82,3.172,5,0.422,0.72,1.0,0.5315348502501542,0.5161143855801521,0.3013672812007402,0.31375505448564184,0.41569289287917205
EOS-2-34744,Clc1cc(CCOc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)ccn1,YOWNTNKAFWMXQW-UHFFFAOYSA-N,2,1,0.489,87,142,420.82,2.906,5,0.382,0.67,1.0,0.6394781029401686,0.620356726749366,0.34946199712151327,0.3711962853813995,0.4951232780481118
EOS-2-34745,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)c1,PBACTMJPGYFGMK-UHFFFAOYSA-N,2,1,0.446,18,773,420.82,2.906,5,0.408,0.76,1.0,0.6542646151737372,0.6058871907340141,0.2794873552189706,0.31685628126927556,0.46412386059899935
EOS-2-34746,Clc1cncc(CCOc2cncc3nnc(-c4cccnc4-c4nnco4)n23)c1,KQELJPCKKWTICB-UHFFFAOYSA-N,2,1,0.484,65,619,420.82,2.906,5,0.408,0.65,0.691,0.627989856761017,0.5821311082173943,0.1970906723322596,0.2683332191076691,0.418886214104585
EOS-2-34747,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)o1,IQLFSEZNZBKDDA-UHFFFAOYSA-N,2,1,0.608,72,226,420.82,3.172,5,0.422,0.74,1.0,0.9001182235624701,0.8983705708998698,0.2358731409773148,0.29797477897333974,0.5830841786032486
EOS-2-34748,Clc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ncon5)c4)n23)n1,UIIWHJJLQPQQFM-UHFFFAOYSA-N,2,1,0.483,87,131,420.82,2.906,5,0.382,0.7,1.0,0.5366664382153382,0.5254351997806868,0.22492461106161332,0.2710917688986361,0.38952950448906865
EOS-2-34749,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)o1,XNPPQKGIBJYYMR-UHFFFAOYSA-N,2,1,0.472,4,617,420.82,3.172,5,0.395,0.75,1.0,0.4661777808237955,0.5579038448358578,0.1803851689397574,0.20034610376259337,0.35120322459050096
EOS-2-34750,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nn1,CDQARNITAQKJHY-UHFFFAOYSA-N,2,1,0.511,72,482,420.82,2.906,5,0.408,0.67,1.0,0.8241810019875265,0.8380508532657117,0.22493317798642998,0.2653262284970187,0.5381228154341717
EOS-2-34751,Cc1noc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)n1,PHSVZQKEBYLVBR-UHFFFAOYSA-N,2,1,0.584,51,946,420.82,3.172,5,0.422,0.76,1.0,0.7664570625728189,0.827470701117127,0.18367486806935782,0.22978205743266397,0.5018461722979919
EOS-2-34752,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)ccn1,WDUJGGAYUVJQQY-UHFFFAOYSA-N,2,1,0.522,58,578,420.82,2.906,5,0.382,0.71,1.0,0.7603402782537181,0.7491433075183332,0.2977948735521897,0.3197947364813926,0.5317682989514084
EOS-2-34753,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5cocn5)ncn4)n23)ccn1,BTDPGKMAJZQHAP-UHFFFAOYSA-N,2,1,0.435,18,481,420.82,2.906,5,0.382,0.6,1.0,0.5685782331574258,0.4579278322253444,0.29043588513467206,0.3168648481940923,0.40845169967788364
EOS-2-34754,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)n1,WSNLVYPICLLBSK-UHFFFAOYSA-N,2,1,0.512,7,85,420.82,3.172,5,0.422,0.74,1.0,0.5084384209444178,0.582139675142211,0.2041412514563772,0.2208381879240628,0.3788893838667672
EOS-2-34755,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)no1,XHEUHKAHXMWBHX-UHFFFAOYSA-N,2,1,0.53,2,131,420.82,3.172,5,0.422,0.7,1.0,0.42911726406689055,0.5114882461791516,0.23588170790213145,0.2563909259132342,0.35821953601535195
EOS-2-34756,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)o1,MDCGPBFQHZMDIL-UHFFFAOYSA-N,2,1,0.472,55,283,420.82,3.172,5,0.422,0.77,1.0,0.6112072510451648,0.5872198615584949,0.24663319854704954,0.26533479542183536,0.42759877664313617
EOS-2-34757,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cnoc5)ncn4)n23)cn1,CYUOQYBTIFMZMD-UHFFFAOYSA-N,2,1,0.46,18,194,420.82,2.906,5,0.382,0.57,1.0,0.5158830786101021,0.43159310533890755,0.33464121718867795,0.3581231581111644,0.41006013981221295
EOS-2-34758,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccnc5Cl)n34)cn2)no1,LHOIGGODOYQMAK-UHFFFAOYSA-N,2,1,0.451,55,283,420.82,3.172,5,0.395,0.76,1.0,0.5712425467754095,0.6294462339798506,0.20775649372901103,0.22979062435748063,0.4095589747104379
EOS-2-34759,COc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1ncon1,UDDDYHTVMCMPRV-UHFFFAOYSA-N,2,1,0.649,13,209,420.816,4.296,5,0.415,0.79,1.0,0.7120313892125283,0.6489102871633199,0.6368994585703516,0.6094510314577479,0.6518230416009869
EOS-2-34760,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)ccc1-c1ncon1,JRCOCQIWVULEAP-UHFFFAOYSA-N,2,1,0.64,13,209,420.816,4.296,5,0.415,0.77,1.0,0.7834709752587211,0.6586423137550544,0.6518487423754369,0.6156449181001987,0.6774017373723528
EOS-2-34761,COc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1nnco1,BPOGYDLDEVCKRL-UHFFFAOYSA-N,2,1,0.625,13,209,420.816,4.296,5,0.415,0.79,1.0,0.7000376944691933,0.683100884106641,0.6603985333424713,0.6242632444657665,0.666950089096018
EOS-2-34762,COc1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)ccc1-c1nnco1,GJMXBXMVDHRYQG-UHFFFAOYSA-N,2,1,0.477,13,209,420.816,4.296,5,0.415,0.79,1.0,0.6394866698649853,0.6294548009046672,0.657597148927421,0.6127664313617983,0.634826262764718
EOS-2-34763,COc1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)ccc1-c1ncon1,NURPPINSAGPGJM-UHFFFAOYSA-N,2,1,0.494,13,209,420.816,4.296,5,0.415,0.73,1.0,0.6394952367898019,0.6107360701802481,0.6337468302378179,0.5972945651428964,0.6203181755876911
EOS-2-34764,Fc1cc(F)cc(-c2nnc3cncc(-c4cc(Cl)cc(-c5cncnc5)c4)n23)c1,UWLLUQKSCUDIOJ-UHFFFAOYSA-N,2,1,0.441,45,575,420.81,4.847,5,0.417,0.81,1.0,0.28126927558083753,0.49831231581111646,0.9608234528133781,0.9765865944760469,0.6792479096703448
EOS-2-34765,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)n2)ccn1,LRBJDIGMPWBANC-UHFFFAOYSA-N,2,1,0.443,96,46,420.81,4.847,5,0.39,0.84,1.0,0.4637019395517785,0.7877201699677884,0.9349513398670414,0.955254951682544,0.7854071002672881
EOS-2-34766,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)ccn1,QGCQHJNUSBRUDH-UHFFFAOYSA-N,2,1,0.378,45,46,420.81,4.847,5,0.39,0.82,1.0,0.37754437667055035,0.7213864711123296,0.9443064217668425,0.9626396408745117,0.7514692276060586
EOS-2-34767,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)ccn1,WAZBLSMMOQCKSO-UHFFFAOYSA-N,2,1,0.367,45,46,420.81,4.847,5,0.39,0.84,1.0,0.4545267630731273,0.7448512781851826,0.9542012199300939,0.9668460009594956,0.7801063155369748
EOS-2-34768,Fc1cc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)ccc1-c1cncnc1,AHGORHGBWOCSLX-UHFFFAOYSA-N,2,1,0.379,45,46,420.81,4.847,5,0.417,0.75,1.0,0.4291258309917072,0.7354704955109314,0.9638218764992118,0.9778373654992804,0.7765638921252827
EOS-2-34769,Fc1cccc(-c2ncc(-c3cncc4nnc(-c5cccc(F)c5Cl)n34)cn2)c1,OMIQNWZHPXPBMD-UHFFFAOYSA-N,2,1,0.451,45,46,420.81,4.847,5,0.417,0.81,1.0,0.3566924816667809,0.6107446371050648,0.9260674388321568,0.954535329997944,0.7120099719004866
EOS-2-34770,Fc1cccc(-c2cc(-c3nnc4cncc(-c5ccccc5Cl)n34)cc(F)n2)n1,RMGQBMPFAKKYDA-UHFFFAOYSA-N,2,1,0.403,96,140,420.81,4.847,5,0.39,0.76,0.998,0.3406209307107121,0.5161229525049689,0.89960420807347,0.9392005345761085,0.6738871564663149
EOS-2-34771,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)c(F)cc1Cl,HOFCSZGZZULGOO-UHFFFAOYSA-N,2,1,0.344,45,575,420.81,4.847,5,0.39,0.74,1.0,0.39975841272017,0.6685028442190392,0.9478702624905764,0.9618514837913782,0.744495750805291
EOS-2-34772,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)c(Cl)c5)nc4)n23)cc1,GBUWFQJNVCUAJB-UHFFFAOYSA-N,2,1,0.456,96,46,420.81,4.847,5,0.39,0.8,0.985,0.39555205263518606,0.7029504489068604,0.9449232403536426,0.9613203344527449,0.7511865190871084
EOS-2-34773,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)nc1,CLELULTVWDTADM-UHFFFAOYSA-N,2,1,0.379,45,575,420.81,4.847,5,0.417,0.71,1.0,0.3845264203961346,0.7077136591049277,0.942515934480159,0.9643701596874786,0.749781543417175
EOS-2-34774,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)cn1,CACCYWQRRKJDAW-UHFFFAOYSA-N,2,1,0.395,45,46,420.81,4.847,5,0.39,0.86,1.0,0.3635545884449318,0.7402337057089987,0.9431241861421424,0.9613289013775616,0.7520603454184086
EOS-2-34775,Fc1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)cc1F,CEXOXGZVNPYTEE-UHFFFAOYSA-N,2,1,0.367,45,46,420.81,4.847,5,0.39,0.8,1.0,0.45898156397779455,0.6929442807209923,0.9534644643958604,0.9668545678843122,0.7680612192447398
EOS-2-34776,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cccnc4F)nc3)n12,DCHBCKXXNSBRBQ-UHFFFAOYSA-N,2,1,0.367,45,46,420.81,4.847,5,0.39,0.79,0.999,0.3705537660201494,0.7260554451374135,0.934959906791858,0.9552635186073607,0.7467081591391954
EOS-2-34777,Fc1cc(Cl)c(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1F,PYHPKIUCZHGEDS-UHFFFAOYSA-N,2,1,0.333,45,558,420.81,4.847,5,0.39,0.82,1.0,0.39556061956000277,0.5966349119320129,0.9652097183195121,0.9758498389418134,0.7333137721883353
EOS-2-34778,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1F,JJPZDIXMTDTCAG-UHFFFAOYSA-N,2,1,0.448,45,102,420.81,4.847,5,0.417,0.77,1.0,0.44984065519841,0.8197433349324926,0.9417192104722089,0.9679082996367624,0.7948028750599685
EOS-2-34779,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)nc1,MUJXJLFMTIYDEN-UHFFFAOYSA-N,2,1,0.381,45,102,420.81,4.847,5,0.417,0.83,1.0,0.4427900760742924,0.7707405249811528,0.9396117469673086,0.9589044616544445,0.7780117024192995
EOS-2-34780,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)cc1Cl,RJCGIYUAQAZWSQ-UHFFFAOYSA-N,2,1,0.392,45,680,420.81,4.847,5,0.39,0.79,1.0,0.4127972722911384,0.6586508806798711,0.9467222945651429,0.9626482077993284,0.7452046638338701
EOS-2-34781,Fc1ccc(-c2nnc3cncc(-c4cccnc4-c4cnc(F)c(Cl)c4)n23)cc1,YDVPDGNYNGKCHJ-UHFFFAOYSA-N,2,1,0.431,45,46,420.81,4.847,5,0.39,0.8,0.764,0.39108868480570214,0.6634997601261051,0.9243026523199233,0.9513055993420602,0.7325491741484477
EOS-2-34782,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5c(F)cccc5Cl)n34)cn2)c1,UJRHORKHVFVLQC-UHFFFAOYSA-N,2,1,0.366,45,575,420.81,4.847,5,0.417,0.78,1.0,0.37984887944623397,0.5714224521965595,0.9303080666164074,0.957139675142211,0.709679768350353
EOS-2-34783,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4cncnc4)cnn3)n12,SHFKBBUJWOHIFB-UHFFFAOYSA-N,2,1,0.385,13,251,420.795,3.623,5,0.434,0.66,1.0,0.5941933383592626,0.6158762250702488,0.7109091220615448,0.7683674868069358,0.672336543074498
EOS-2-34784,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4cnccn4)ncn3)n12,JFAXUEVKTFZHPQ-UHFFFAOYSA-N,2,1,0.404,46,971,420.795,3.623,5,0.434,0.75,1.0,0.6699420875882394,0.6343550818998013,0.6250514015489,0.6794856418340073,0.652208553217737
EOS-2-34785,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)ccn4)n23)cn1,NCCCFMPKVODBGV-UHFFFAOYSA-N,2,1,0.344,18,157,420.795,3.623,5,0.32,0.75,1.0,0.6605870056884381,0.6685114111438558,0.6545473236926873,0.6532108834212871,0.6592141559865671
EOS-2-34786,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4cncnc4)ncn3)n12,PISOZJQGAYITAE-UHFFFAOYSA-N,2,1,0.389,13,971,420.795,3.623,5,0.434,0.69,1.0,0.6637567678706051,0.6732917551915565,0.6929357137961757,0.7291738057706806,0.6897895106572545
EOS-2-34787,Fc1nccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)ccn2)n1,OPDIPTLLAAXOSO-UHFFFAOYSA-N,2,1,0.416,24,486,420.795,3.623,5,0.32,0.74,1.0,0.7120399561373449,0.7578130354328011,0.607360701802481,0.6094595983825646,0.6716683229387979
EOS-2-34788,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cnccn4)nn3)n12,AWUBJBAKRGZNAM-UHFFFAOYSA-N,2,1,0.424,54,251,420.795,3.623,5,0.434,0.77,1.0,0.669950654513056,0.6781663354122405,0.5757230484545267,0.6532194503461037,0.6442648721814817
EOS-2-34789,Fc1cccnc1-c1nnc2cncc(Oc3ccc(-c4cncc(Cl)n4)nc3)n12,ZJMAVJMLUBMOIF-UHFFFAOYSA-N,2,1,0.37,46,110,420.795,3.623,5,0.434,0.63,1.0,0.70004626139401,0.7123912000548284,0.4630165855664451,0.530095606880954,0.6013874134740594
EOS-2-34790,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5cncc(Cl)c5)n34)nn2)nc1,AURFZNGQXQEULG-UHFFFAOYSA-N,2,1,0.364,13,706,420.795,3.623,5,0.434,0.77,1.0,0.6452093756425193,0.6977674593927764,0.5525152491261737,0.6214618600507162,0.6292384860530464
EOS-2-34791,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,ZIZXQOTZEFEXMG-UHFFFAOYSA-N,2,1,0.711,68,127,420.782,3.875,4,0.487,0.82,1.0,0.9453430196696594,0.962425467754095,0.9502433006647933,0.9033308203687205,0.940335652114317
EOS-2-34792,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4)n23)c(Cl)n1,IAVDHVZHUPLDKC-UHFFFAOYSA-N,2,1,0.345,61,499,420.78,2.595,5,0.262,0.66,1.0,0.20535775478034404,0.1582653690631211,0.12490576382701665,0.10360838873278048,0.14803431910081558
EOS-2-34793,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,KWQJQJKHOUVJFF-UHFFFAOYSA-N,2,1,0.775,48,17,420.778,4.764,4,0.45,0.76,1.0,0.9985864574052498,0.9955623329449661,0.9906449181001987,0.9918699883489822,0.9941659241998492
EOS-2-34795,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccccc4Cl)n23)cc1,LARPNIHIXSNUKM-UHFFFAOYSA-N,2,1,0.704,48,444,420.778,4.922,4,0.458,0.83,1.0,0.9964361592762662,0.9926324446576656,0.995151120553766,0.9938660818312659,0.9945214515797409
EOS-2-34796,Fc1cc(Cl)cc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,OBCSODDIAYZPJO-UHFFFAOYSA-N,2,1,0.833,48,17,420.778,4.764,4,0.45,0.8,1.0,0.9956223014186828,0.992418271537249,0.989942430265232,0.9906791857994655,0.9921655472551574
EOS-2-34797,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(Cl)c1,DTBUSBQRUGFBKN-UHFFFAOYSA-N,2,1,0.826,48,17,420.778,4.764,4,0.45,0.86,1.0,0.9994774175861832,0.994894112809266,0.9908590912206154,0.9920755945445823,0.9943265540401618
EOS-2-34798,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1Cl,MPGRAVWCMZEKKM-UHFFFAOYSA-N,2,1,1.0,48,17,420.778,4.764,4,0.45,0.82,1.0,1.0,0.9988691659241998,0.9918699883489822,0.9924782400109656,0.9958043485710368
EOS-2-34799,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,ODHICUNMYWDXQU-UHFFFAOYSA-N,2,1,0.791,48,17,420.778,4.764,4,0.45,0.81,1.0,0.9956308683434995,0.9934720032896991,0.9893598793776985,0.9905249811527654,0.9922469330409156
EOS-2-34801,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4)n23)cc1,PKWJUYZOHJGRNB-UHFFFAOYSA-N,2,1,0.848,48,444,420.778,4.922,4,0.458,0.85,1.0,0.9982266465629498,0.9900280995133987,0.9955966006442327,0.9940631211020492,0.9944786169556576
EOS-2-34803,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4cccc(Br)c4)n23)cc1,VVLQONHBKTXKMI-UHFFFAOYSA-N,2,1,0.727,48,40,479.256,5.074,4,0.387,0.83,1.0,0.9953224590500994,0.9921269960934823,0.9896168871221986,0.977845932424097,0.9887280686724693
EOS-2-34804,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4Br)n23)cc1,XROULWGWSFDFKT-UHFFFAOYSA-N,2,1,0.781,48,40,479.256,5.074,4,0.387,0.86,1.0,0.9933777671167158,0.9909533273935988,0.9888629977383319,0.9762439174833801,0.9873595024330066
EOS-2-34805,N#Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5Cl)n34)nn2)cn1,RULRPNGIDKFWLW-UHFFFAOYSA-N,2,1,0.389,54,251,479.262,4.753,5,0.339,0.62,0.993,0.7337057089986978,0.8119388664245083,0.8975310122678364,0.9179802618052224,0.8402889623740663
EOS-2-34806,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Br)c5)n34)cn2)cn1,UKJVUFDLGUCEMK-UHFFFAOYSA-N,2,1,0.477,55,434,479.273,3.519,5,0.353,0.7,1.0,0.8160595572613255,0.7213950380371462,0.5914262216434789,0.5367178397642383,0.6663996641765473
EOS-2-34807,Fc1cc(Br)ccc1-c1nnc2cncc(OCc3cnc(-c4cnccn4)cn3)n12,VNXSBFPRPJIGGO-UHFFFAOYSA-N,2,1,0.562,73,540,479.273,3.519,5,0.377,0.64,1.0,0.6881382358988417,0.8346412171886779,0.5219912960043863,0.5230621616064698,0.641958227674594
EOS-2-34808,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cncc(Br)c5)n34)ccn2)no1,CVLCIYRMVWUZNB-UHFFFAOYSA-N,2,1,0.518,75,359,479.298,3.324,5,0.362,0.69,1.0,0.6056216160646974,0.502655746693167,0.13982934685765197,0.13930676444383525,0.3468533685148379
EOS-2-34809,Clc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(Cl)c1,IJMDFBQASAYLOM-UHFFFAOYSA-N,2,1,0.671,23,400,420.687,4.768,4,0.435,0.76,1.0,0.9080597628675211,0.9657837022822288,0.8511496813103968,0.9322356247001576,0.9143071927900761
EOS-2-34810,Clc1cncc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1,BNSIDJMRQMRBID-UHFFFAOYSA-N,2,1,0.736,90,281,420.687,4.768,4,0.465,0.76,1.0,0.9356709615516414,0.9708039202247961,0.9019686793228703,0.9558717702693441,0.941078832842163
EOS-2-34811,CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)c(Cl)c4)nc3Cl)n12,VQOINULMMHVUSQ-UHFFFAOYSA-N,2,1,0.519,23,281,420.687,5.212,4,0.424,0.81,1.0,0.8160681241861422,0.9156414913302721,0.8889983551504352,0.9401257624563086,0.8902084332807896
EOS-2-34812,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nc1,XGSQCIOCGWDGRN-UHFFFAOYSA-N,2,1,0.676,23,400,420.687,4.768,4,0.465,0.72,1.0,0.9334778287985744,0.964849907477212,0.8715817969981495,0.9409567541635254,0.9277165718593653
EOS-2-34813,Clc1ccc(COc2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)cc1,ABEPSKNIIDINAQ-UHFFFAOYSA-N,2,1,0.578,97,91,479.327,5.046,5,0.302,0.8,1.0,0.8031577684874237,0.8448529915701459,0.8756339524364334,0.867495373860599,0.8477850215886504
EOS-2-34814,Oc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cc1Cl,JOXWLCIFBAVSAJ-UHFFFAOYSA-N,2,1,0.505,11,275,479.327,4.882,5,0.371,0.65,1.0,0.7691299431156192,0.7077222260297443,0.7700723048454526,0.8115704886573916,0.764623740662052
EOS-2-34815,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)cn4)n23)ccc1Cl,QAHNIKNGLXXHGT-UHFFFAOYSA-N,2,1,0.539,1,850,479.327,5.143,5,0.312,0.74,1.0,0.8188181070522925,0.8911229525049689,0.8380936878897951,0.8219450346103763,0.8424949455143582
EOS-2-34816,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccc(Cl)cn1,LTZXYOGZTPGKFD-UHFFFAOYSA-N,2,1,0.506,97,383,479.327,5.143,5,0.333,0.65,1.0,0.9301452950448907,0.787728736892605,0.8557072853128641,0.8419059694332123,0.8538718216708931
EOS-2-34817,COc1ncccc1-c1cc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)ccn1,FFEPCCZTYLMEFQ-UHFFFAOYSA-N,2,1,0.494,97,332,479.327,5.143,5,0.333,0.71,1.0,0.7062487149612775,0.712399766979645,0.8029692961414571,0.7941881982043726,0.753951494071688
EOS-2-34818,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5cncc(Cl)c5)c4)n23)ccc1Cl,GPPDGFWNBLKVFD-UHFFFAOYSA-N,2,1,0.5,97,67,479.327,5.143,5,0.333,0.76,1.0,0.9323898293468577,0.9096189431841546,0.8833184839969844,0.8692858611472826,0.8986532794188198
EOS-2-34819,COc1cc(-c2nnc3cncc(-c4cnc(C)nc4Oc4ccc(Cl)cc4)n23)ccc1Cl,XZFVAATYEXLKPE-UHFFFAOYSA-N,2,1,0.415,96,46,479.327,5.664,5,0.321,0.73,1.0,0.5598656706188746,0.6635083270509218,0.816899115893359,0.8050767596463574,0.7113374683023782
EOS-2-34820,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cncc(Cl)c5)nc4)n23)ccc1Cl,WCCFKPWWZDYZLB-UHFFFAOYSA-N,2,1,0.506,97,67,479.327,5.143,5,0.333,0.79,1.0,0.9386265506133918,0.8883901034884518,0.8781183606332671,0.8611472825714481,0.8915705743266398
EOS-2-34821,COc1cc(-c2nnc3cncc(OCc4ccccc4-c4cnc(Cl)cn4)n23)ccc1Cl,YOKLTZVWQRODPH-UHFFFAOYSA-N,2,1,0.5,97,67,479.327,5.143,5,0.333,0.75,1.0,0.9565142896305942,0.9249451716811733,0.8511582482352135,0.837990884791995,0.8926521485847441
EOS-2-34822,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(Cl)c5)c4)n23)ccc1Cl,GYGJZESZKAVJTQ-UHFFFAOYSA-N,2,1,0.5,97,67,479.327,5.143,5,0.312,0.72,1.0,0.92495373860599,0.9028767733534371,0.8868394900966349,0.8659790281680488,0.8951622575560276
EOS-2-34823,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)cc2)n[nH]1,NONSWEFWZVADBZ-UHFFFAOYSA-N,2,1,0.588,91,273,479.327,4.47,5,0.386,0.77,1.0,0.9017887739017202,0.8663474059351655,0.8297752038928107,0.8675039407854157,0.866353831128778
EOS-2-34824,COc1cc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)c4)n23)ccc1Cl,AUIZYMRLULLDIM-UHFFFAOYSA-N,2,1,0.506,97,91,479.327,5.143,5,0.312,0.72,1.0,0.9356795284764581,0.8983791378246865,0.9030566787745871,0.8849976012610513,0.9055282365841958
EOS-2-34825,Clc1ccc(COc2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2)cc1Cl,YZMDLTCPBSBHPJ-UHFFFAOYSA-N,2,1,0.705,97,96,479.327,5.046,5,0.323,0.78,1.0,0.9386351175382085,0.9135682955246385,0.8890069220752519,0.8821533822219176,0.905840929340004
EOS-2-34826,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5Cl)n34)cc2)n[nH]1,BKOATAZNEGEUJS-UHFFFAOYSA-N,2,1,0.552,91,273,479.327,4.47,5,0.386,0.77,1.0,0.8987389486669864,0.8778613528887671,0.8277876773353438,0.8692944280720992,0.868420601740799
EOS-2-34827,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5Cl)n34)c2)cc1=O,PJOBXZHMZXBQOM-UHFFFAOYSA-N,2,1,0.511,43,470,479.327,4.438,5,0.371,0.69,1.0,0.5628126927558084,0.5669248166678089,0.8277962442601604,0.8643170447536153,0.7054626996093483
EOS-2-34828,CCc1nc(-c2nnc3cncc(OCc4cccnc4Cl)n23)ccc1-c1ncc(Cl)cn1,HCEKMXBQUNACLU-UHFFFAOYSA-N,2,1,0.392,46,717,479.331,4.487,5,0.328,0.6,0.872,0.6482677678020697,0.5966434788568296,0.3160852580357755,0.40261976560893703,0.49090406757590294
EOS-2-34829,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2Cl)n1,UFEMURMNTVRENN-UHFFFAOYSA-N,2,1,0.556,37,626,479.331,4.275,5,0.333,0.67,1.0,0.955049345486944,0.937487149612775,0.5457045438969228,0.5881022548146118,0.7565858234528134
EOS-2-34830,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5Cl)n34)c2)cn1,JZBMWVWOWDVQNP-UHFFFAOYSA-N,2,1,0.421,18,840,479.331,4.275,5,0.333,0.67,1.0,0.657237338085121,0.6831094510314577,0.5254609005551367,0.553072099239257,0.6047199472277431
EOS-2-34831,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ncc1-c1ccc(Cl)nc1,KFRQCRMGOOXBET-UHFFFAOYSA-N,2,1,0.448,87,307,479.331,4.275,5,0.333,0.69,0.998,0.7184737166746624,0.6541446782263038,0.38336988554588447,0.4722431635939963,0.5570578610102117
EOS-2-34832,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)cn2)nn1,JRKHBAALDUYUAX-UHFFFAOYSA-N,2,1,0.54,84,73,479.331,4.275,5,0.356,0.66,1.0,0.7779453087519704,0.8983877047495031,0.4767664998971969,0.572570420121993,0.6814174833801658
EOS-2-34833,Cc1ncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(-c2ccc(Cl)cn2)n1,VPLMTDOBHHHVGO-UHFFFAOYSA-N,2,1,0.429,58,954,479.331,4.275,5,0.333,0.57,0.99,0.8188266739771092,0.7666369679939689,0.3307432663970941,0.43463436364882463,0.5877103180042492
EOS-2-34834,Cc1nc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,VDPNFPPMHYIOHW-UHFFFAOYSA-N,2,1,0.447,18,578,479.331,4.275,5,0.333,0.62,1.0,0.7337142759235145,0.6977760263175931,0.49399458570351584,0.5499109039819067,0.6188489479816325
EOS-2-34835,Cc1cc(Cl)nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)n1,BWRRMWXDVNAPKF-UHFFFAOYSA-N,2,1,0.529,75,578,479.331,4.275,5,0.263,0.59,1.0,0.8058135151805907,0.735479062435748,0.44533445274484273,0.487260982797615,0.6184720032896991
EOS-2-34836,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)n5)n34)ccn2)cn1,LPGBHHTYUSIJBU-UHFFFAOYSA-N,2,1,0.489,75,454,479.331,4.275,5,0.333,0.71,1.0,0.8003992186964567,0.7956017407991227,0.5153604961962854,0.5336080460557878,0.6612423754369132
EOS-2-34837,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cnc1Cl,BEHAFJJWCFSGRZ-UHFFFAOYSA-N,2,1,0.521,58,578,479.331,4.275,5,0.333,0.6,1.0,0.8549533959289973,0.9074857789048043,0.4560773764649441,0.4995288191350833,0.6795113426084574
EOS-2-34838,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccc(Cl)cc1,VFUGJPOVYUKZJP-UHFFFAOYSA-N,2,1,0.821,83,497,479.342,6.526,5,0.278,0.77,1.0,0.9984322527585497,0.9999143307518333,0.9777945308751971,0.9887687615653485,0.9912274689877322
EOS-2-34839,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)cc1Cl,KGFGCLITNAJDJC-UHFFFAOYSA-N,2,1,0.75,57,485,479.342,6.526,5,0.278,0.78,1.0,0.9725430059625797,0.9885717222945651,0.978077239394147,0.9875522582413817,0.9816860564731683
EOS-2-34840,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1ccc(Cl)cc1,SZWVRBKDNWSYNJ-UHFFFAOYSA-N,2,1,0.821,57,497,479.342,6.526,5,0.278,0.82,1.0,0.9950654513055993,0.9980810088410664,0.9774261531080803,0.9884774861215818,0.989762524844082
EOS-2-34841,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)cc1Cl,UWGHCLKXCGXNAA-UHFFFAOYSA-N,2,1,0.817,57,485,479.342,6.526,5,0.278,0.81,1.0,0.9852648893153314,0.9917843191008155,0.9780858063189637,0.987903502158865,0.9857596292234939
EOS-2-34842,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1-c1ccc(Cl)cc1,DHYPLRYXEOOERN-UHFFFAOYSA-N,2,1,0.743,57,497,479.342,6.526,5,0.278,0.8,1.0,0.9916643821533823,0.9976612295250497,0.9760640120622301,0.9879120690836817,0.9883254232060859
EOS-2-34843,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5Cl)n34)cc2)cc1,VDVCZVKTIKOWOE-UHFFFAOYSA-N,2,1,0.694,83,497,479.342,6.526,5,0.278,0.83,1.0,0.9949283805085326,0.9978582687958331,0.9768264683709136,0.9879206360084984,0.9893834384209443
EOS-2-34844,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)ccc1Cl,XGFJDIFXEPQUEH-UHFFFAOYSA-N,2,1,0.908,83,497,479.342,6.526,5,0.278,0.83,1.0,0.9993232129394832,0.9991433075183332,0.9795850181618806,0.9884860530463985,0.9916343979165239
EOS-2-34845,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cc2)cc1,NIDSSMQDJOZLGT-UHFFFAOYSA-N,2,1,0.908,83,497,479.342,6.526,5,0.278,0.86,1.0,0.9993317798642999,0.9992632444657665,0.9795935850866972,0.9884946199712151,0.9916708073469946
EOS-2-34846,Fc1cc(Cl)ccc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,XJBSMSKBCRMJDY-UHFFFAOYSA-N,2,1,0.775,57,497,479.342,6.526,5,0.278,0.8,1.0,0.9771605784387636,0.9900366664382153,0.9757299019943801,0.9866013295867315,0.9823821191145226
EOS-2-34847,Fc1ccc(Cl)cc1-c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,DBLOVPASNMQOKC-UHFFFAOYSA-N,2,1,0.797,83,497,479.342,6.526,5,0.278,0.81,1.0,0.9982352134877664,0.9999400315262833,0.977434720032897,0.9879292029333151,0.9908847919950654
EOS-2-34848,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)ccc1Cl,ORLSEWJEPURDMS-UHFFFAOYSA-N,2,1,0.817,57,485,479.342,6.526,5,0.278,0.79,1.0,0.9854961962853814,0.9915701459803988,0.9780943732437805,0.9875608251661984,0.9856803851689397
EOS-2-34849,Cc1csc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)cc2)n1,RGMSYGUOMBRVTH-UHFFFAOYSA-N,2,1,0.575,1,22,479.363,4.96,5,0.355,0.76,1.0,0.6307227057775341,0.6929528476458091,0.46302515249126175,0.40562675621958744,0.5480818655335482
EOS-2-34850,Brc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)s1,AIDGFDQAZGOBHQ-UHFFFAOYSA-N,2,1,0.489,87,529,479.363,4.694,5,0.352,0.8,1.0,0.7396254540470153,0.7307758207113975,0.4344373243780413,0.4565485573298609,0.5903467891165788
EOS-2-34851,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nn2C)ccc1Cl,XDWOPHBIOOKNFZ-UHFFFAOYSA-N,2,1,0.6,19,266,479.371,5.429,5,0.325,0.82,1.0,0.4332465218285244,0.5209118634774861,0.7879686107874717,0.8399698444246453,0.6455242101295319
EOS-2-34852,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,YWBZANYRWUHKLL-UHFFFAOYSA-N,2,1,0.712,91,781,479.371,5.603,5,0.304,0.8,1.0,0.904890000685354,0.8380594201905284,0.8494876978959632,0.8542766088684806,0.8616784319100815
EOS-2-34853,O=C(CO)N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)o1,CVCPTNLDOLSXBT-UHFFFAOYSA-N,2,1,0.578,43,11,479.403,2.051,5,0.377,0.51,0.999,0.72467617024193,0.4983208827359331,0.47345966691796315,0.3934874237543691,0.5224860359125488
EOS-2-34854,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(OC(F)F)n5)n34)nn2)cn1,DDSMDQGNVQNSSR-UHFFFAOYSA-N,2,1,0.423,53,670,479.407,2.622,5,0.325,0.63,0.997,0.5315434171749709,0.42254643273250636,0.37964327325063396,0.24142450825851552,0.3937894078541567
EOS-2-34855,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4nccc(OC(F)F)n4)n23)nn1,UGYXDHFSDFEJEZ-UHFFFAOYSA-N,2,1,0.374,54,411,479.407,2.622,5,0.325,0.63,0.724,0.552198272907957,0.48407408676581454,0.3085891988211911,0.20342162977177713,0.3870707970666849
EOS-2-34856,FC(F)(F)Oc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2)cc1,FJROGJRFDXUCBX-UHFFFAOYSA-N,2,1,0.747,79,881,479.418,5.456,5,0.307,0.8,1.0,0.8683092317181824,0.8911315194297855,0.9781029401685971,0.9432955246384758,0.9202098039887602
EOS-2-34857,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)cn2)cn1,PIPHBRKMCNTKPV-UHFFFAOYSA-N,2,1,0.494,27,676,479.422,4.25,5,0.356,0.76,1.0,0.8571036940579809,0.77480981426907,0.9437324378041259,0.8318141319991775,0.8518650195325885
EOS-2-34858,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(OC(F)(F)F)cc5)nn4)n23)cc1,MYQYMUYHXKVDEE-UHFFFAOYSA-N,2,1,0.524,1,431,479.422,4.429,5,0.353,0.76,1.0,0.9127030361181551,0.8983962716743198,0.9052155438283873,0.829920841614694,0.8865589233088891
EOS-2-34859,CCOc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)cc1F,PACPXNVZMVJVKI-UHFFFAOYSA-N,2,1,0.426,2,564,479.422,4.038,5,0.345,0.68,1.0,0.794719347543006,0.8346497841134947,0.8048968542252073,0.707730792954561,0.7854991947090672
EOS-2-34860,Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)n2)cn1,IFHRHKUBMPXMFK-UHFFFAOYSA-N,2,1,0.56,27,996,479.422,4.271,5,0.341,0.64,1.0,0.826879583304777,0.9284747447056405,0.8365944760468782,0.7582071139743678,0.8375389795079159
EOS-2-34861,COc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)cn1,SDIGMXFNIMOZPX-UHFFFAOYSA-N,2,1,0.462,59,577,479.422,3.957,5,0.338,0.71,1.0,0.8215423891439929,0.8346583510383113,0.7817575902953876,0.6706188746487561,0.777144301281612
EOS-2-34862,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)cc5)nn4)n23)nc1,SLUKLPWOMHEOKR-UHFFFAOYSA-N,2,1,0.609,19,691,479.422,4.005,5,0.329,0.74,0.936,0.8215509560688096,0.9174148447673223,0.8029778630662737,0.7754523336303201,0.8293489993831815
EOS-2-34863,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)cc5)nn4)n23)c1,XKSOBTSKOOTYOC-UHFFFAOYSA-N,2,1,0.554,54,691,479.422,4.005,5,0.329,0.76,0.999,0.8706737029675827,0.917423411692139,0.8366030429716949,0.8115790555822082,0.8590698033034062
EOS-2-34864,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC(F)(F)F)cn5)n34)cc2)nn1,WBHONRRKSLEYMU-UHFFFAOYSA-N,2,1,0.588,1,431,479.422,4.429,5,0.353,0.66,1.0,0.6820300185045576,0.8081694195051744,0.9268984305393736,0.8277876773353438,0.8112213864711123
EOS-2-34865,CC(F)(F)c1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2)cn1,ZUBZWLHPJQHHBW-UHFFFAOYSA-N,2,1,0.443,54,411,479.426,3.306,5,0.347,0.63,0.998,0.6637653347954219,0.6929614145706258,0.5044805016791173,0.37450311836063327,0.5589275923514495
EOS-2-34866,O=c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ncc(F)cn6)nc5)n34)cc2)n[nH]1,BRVBYXQSDNIIOE-UHFFFAOYSA-N,2,1,0.415,41,870,479.435,3.325,6,0.395,0.72,1.0,0.7691385100404359,0.5872284284833116,0.45264203961346033,0.4185628126927558,0.5568929477074909
EOS-2-34867,Cc1nc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)ccc1-c1ccc(F)cc1,QIVALAJXTJGYCX-UHFFFAOYSA-N,2,1,0.5,88,485,479.437,5.34,5,0.243,0.76,1.0,0.9236686998834899,0.9212185593859228,0.9560859433897608,0.9531988897265438,0.9385430230964293
EOS-2-34868,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)cc1,GKNBMFWCZVURHR-UHFFFAOYSA-N,2,1,0.684,1,138,479.437,5.633,5,0.295,0.8,1.0,0.9864042903159482,0.9849564800219314,0.9913902405592488,0.9829346857651977,0.9864214241655815
EOS-2-34869,Fc1cccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(C(F)(F)F)cc5)nc4)n23)c1,TXEHRIXLDZKVAX-UHFFFAOYSA-N,2,1,0.709,1,138,479.437,5.633,5,0.295,0.8,1.0,0.9550579124117606,0.9648584744020287,0.9904650126790487,0.9818038516893975,0.9730463127955589
EOS-2-34870,Fc1cccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(C(F)(F)F)n5)n34)c2)c1,WSDQXHQJVACYFH-UHFFFAOYSA-N,2,1,0.57,79,640,479.437,5.633,5,0.295,0.74,1.0,0.8457268179014461,0.9346172297991913,0.9798248920567473,0.9613374683023782,0.9303766020149407
EOS-2-34871,Fc1nc(-c2ccccc2)ccc1CCOc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,FLEKINXJBREMJV-UHFFFAOYSA-N,2,1,0.625,79,138,479.437,5.633,5,0.233,0.73,1.0,0.9898224933177986,0.9826776780206977,0.9869697073538483,0.9732797614968131,0.9831874100472894
EOS-2-34872,COc1nc(-c2cncnn2)ncc1-c1cncc2nnc(-c3ccc(-c4ncc(F)cn4)cc3)n12,KCIVJXQNGSQWCL-UHFFFAOYSA-N,2,1,0.319,42,635,479.439,2.705,6,0.36,0.64,1.0,0.5443766705503392,0.4753872250017134,0.1705846069494894,0.1568261256939209,0.33679365704886577
EOS-2-34873,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cncnc6)n5)n34)nn2)cn1,JBWAFOGSARTDTC-UHFFFAOYSA-N,2,1,0.343,6,280,479.439,2.608,6,0.325,0.62,0.951,0.5009252278802001,0.49341203481598245,0.22871975875539716,0.2235710369405798,0.3616570145980399
EOS-2-34874,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)nc1,RMNJFPOKYNSNNI-UHFFFAOYSA-N,2,1,0.411,80,277,479.439,2.608,6,0.348,0.62,1.0,0.5997104379411966,0.6107532040298814,0.17412274689877322,0.1672863408950723,0.3879681824412308
EOS-2-34875,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cn2)cn1,MUYALKXEAYMUFT-UHFFFAOYSA-N,2,1,0.406,80,843,479.439,2.608,6,0.325,0.64,1.0,0.5598742375436914,0.5437255842642725,0.25390651771640055,0.22357960386539646,0.39527148584744026
EOS-2-34876,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)nn5)n34)nn2)c1,POJUKXQWSBPYPM-UHFFFAOYSA-N,2,1,0.43,54,766,479.439,2.608,6,0.348,0.67,0.824,0.5211431704475361,0.47539579192653003,0.20071448152971008,0.2297991912822973,0.35676315879651843
EOS-2-34877,COc1cc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)ccc1-c1coc(=O)n1C,VHXFUULKPDTOJH-UHFFFAOYSA-N,2,1,0.547,91,313,479.443,3.658,5,0.352,0.65,1.0,0.7152268521691454,0.5966520457816462,0.7216691796312795,0.6242718113905832,0.6644549722431636
EOS-2-34878,N#Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccs5)n34)c2)nc1C(F)(F)F,YTLZOKIKDAQXKG-UHFFFAOYSA-N,2,1,0.614,27,921,479.447,4.779,5,0.358,0.73,1.0,0.7890480433143718,0.8544993489137139,0.9082739359879378,0.8071413885271743,0.8397406791857995
EOS-2-34879,N#Cc1csc(COc2cncc3nnc(-c4cnc(C(F)F)nc4-c4ccc(F)cc4)n23)c1,CBTPSJDDNCYRDH-UHFFFAOYSA-N,2,1,0.467,27,343,479.447,4.837,5,0.343,0.66,0.998,0.7544462339798506,0.8637687615653485,0.8241981358371598,0.8028750599684737,0.8113220478377081
EOS-2-34880,Fc1ccc(-c2ncc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cc2F)cn1,AFOUCUMDXXOUBE-UHFFFAOYSA-N,2,1,0.409,41,363,479.45,5.381,6,0.307,0.75,1.0,0.7918922623535056,0.8000137070797066,0.8331505722705778,0.8299294085395107,0.8137464875608251
EOS-2-34881,Fc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c(F)c1,DKPZNUMVBSIVPL-UHFFFAOYSA-N,2,1,0.353,32,20,479.45,5.381,6,0.328,0.75,1.0,0.4786854910561305,0.5821482420670276,0.8132153382221917,0.8007847303132067,0.6687084504146392
EOS-2-34882,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c5)c(OC(F)F)n4)n23)nn1,SYYOTBSOAKETRV-UHFFFAOYSA-N,2,1,0.433,31,602,479.451,2.908,5,0.331,0.58,0.811,0.4661863477486122,0.40407614282777055,0.3494705640463299,0.24437153039544926,0.3660261462545405
EOS-2-34883,Cc1ncc(-c2c(F)cc(-c3nnc4cncc(-c5cnc(-c6cccnc6)nc5)n34)cc2F)cn1,MKISHFXHKVAWFH-UHFFFAOYSA-N,2,1,0.34,42,106,479.454,4.354,6,0.367,0.6,1.0,0.3728411349461997,0.47540435885134674,0.6983243095058598,0.6706274415735728,0.5542993112192448
EOS-2-34884,Cc1nc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cn2)ncc1F,DZQPRLGLPPKICS-UHFFFAOYSA-N,2,1,0.329,42,167,479.454,4.354,6,0.344,0.67,1.0,0.3613357549174148,0.4754129257761634,0.5818055650743609,0.5944246453293126,0.503244722774313
EOS-2-34885,Cc1cnc(F)cc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)nc1F,RFBAVGSFHXYABP-UHFFFAOYSA-N,2,1,0.245,70,572,479.454,4.354,6,0.344,0.57,1.0,0.3134809128915085,0.3466092111575629,0.7319066547871976,0.6994465766568433,0.522860838873278
EOS-2-34886,Cc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncc(F)c6)c(F)c5)n34)cn2)nn1,QKJYOUGDXWKOML-UHFFFAOYSA-N,2,1,0.325,42,72,479.454,4.354,6,0.367,0.63,1.0,0.3382221917620451,0.42696696593790695,0.6767442258926736,0.6966194914673429,0.5346382187649922
EOS-2-34887,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cccc(-c5cnccn5)n4)n23)nc1F,UUQJYCCFULHZDK-UHFFFAOYSA-N,2,1,0.325,64,176,479.454,4.354,6,0.367,0.65,0.999,0.2812778425056542,0.3755911178123501,0.37586525940648347,0.4535244328695771,0.3715646631485162
EOS-2-34888,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnc(F)cn6)cn5)n34)cc2)ccc1F,SWTWJCHGICHSJW-UHFFFAOYSA-N,2,1,0.364,32,443,479.454,4.354,6,0.367,0.62,1.0,0.3107566307998081,0.47542149270098005,0.6306370365293674,0.6156534850250154,0.5081171612637927
EOS-2-34889,COc1nc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)ccc1-c1ccccn1,XSVKSJUWUHHPRF-UHFFFAOYSA-N,2,1,0.42,28,984,479.46,3.281,6,0.333,0.55,0.998,0.32320437255842643,0.1286666438215338,0.13049139880748406,0.08563498046741141,0.16699934891371393
EOS-2-34890,COc1cc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)ccc1-c1ncno1,DUGMZSHIPMGDAP-UHFFFAOYSA-N,2,1,0.485,28,414,479.46,3.281,6,0.333,0.64,1.0,0.35001028030978,0.2006545130559934,0.22161777808237956,0.13464635734356795,0.2267322321979302
EOS-2-34891,COc1cc(-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)ccc1-c1ccccn1,YQLHJWXPQDDLCB-UHFFFAOYSA-N,2,1,0.465,6,218,479.46,3.281,6,0.333,0.62,1.0,0.3705623329449661,0.1621290521554383,0.22872832568021384,0.16469056267562196,0.23152756836406005
EOS-2-34892,COc1nc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)ccc1-c1ncco1,GHDQOKGHZAWSDX-UHFFFAOYSA-N,2,1,0.41,81,984,479.46,3.281,6,0.333,0.56,0.983,0.3029350284421904,0.12157323007333287,0.13049996573230074,0.0805547940511274,0.15889075457473786
EOS-2-34893,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)n4)n23)ccc1-c1cocn1,BERLQGCEFAYZNH-UHFFFAOYSA-N,2,1,0.5,81,218,479.46,3.281,6,0.333,0.63,1.0,0.40823110136385443,0.22535295730244673,0.23589027482694813,0.1540076074292372,0.2558704852306216
EOS-2-34894,COc1cncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cocn5)n4)n23)cn1,SETIJWVEJDOMSE-UHFFFAOYSA-N,2,1,0.454,28,297,479.46,3.281,6,0.333,0.66,1.0,0.377552943595367,0.24079912274689877,0.22162634500719622,0.1416883695428689,0.24541669522308274
EOS-2-34895,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccnc6)o5)n34)cn2)cn1,IMIPTHJJXSYMRF-UHFFFAOYSA-N,2,1,0.415,6,280,479.46,3.281,6,0.333,0.76,1.0,0.4061322047837708,0.31763587142759236,0.18687033102597492,0.1217788362689329,0.25810431087656777
EOS-2-34896,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nc5)n34)cn2)nn1,HBOHSLWQMZZRFD-UHFFFAOYSA-N,2,1,0.438,6,843,479.464,2.207,6,0.332,0.68,1.0,0.31348947981632513,0.1392639298197519,0.10015591803166335,0.056627373038174215,0.15238417517647865
EOS-2-34897,COc1cc(-c2nnc3cncc(OCc4ccc(-n5nccn5)nn4)n23)ccc1-c1ccncn1,YTZFJHQUGDNUII-UHFFFAOYSA-N,2,1,0.436,71,415,479.464,2.207,6,0.332,0.57,1.0,0.27313926392981974,0.16993352066342265,0.13344698786923445,0.08399869782742787,0.16512961757247618
EOS-2-34898,CCc1nc(-c2nnc3cncc(OCCc4cc(F)c(F)cc4F)n23)ccc1-c1nccn1C,CNHREXFIDACHND-UHFFFAOYSA-N,2,1,0.455,84,308,479.466,4.188,5,0.326,0.67,0.877,0.6395038037146186,0.5966606127064629,0.6306456034541841,0.597303132067713,0.6160282879857446
EOS-2-34899,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cc5F)n34)cn2)c(C)n1,QPSHKOCHHOVNFL-UHFFFAOYSA-N,2,1,0.543,84,672,479.466,4.417,5,0.322,0.69,1.0,0.5739925296415599,0.5390052086902886,0.7216777465560962,0.664793365773422,0.6248672126653416
EOS-2-34900,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)cc4)n23)cc1,UGWUNXMNXQFJMG-UHFFFAOYSA-N,2,1,0.62,91,187,479.466,4.71,5,0.336,0.69,1.0,0.8683177986429991,0.834666917963128,0.9196165444452059,0.8379994517168118,0.8651501781920362
EOS-2-34901,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccncc5)cc4)n23)cc1-n1ccnc1,FZTHVPSHDBGJDH-UHFFFAOYSA-N,2,1,0.549,41,933,479.475,4.882,6,0.322,0.72,1.0,0.7487492289767665,0.5529007607429237,0.8557158522376808,0.7941967651291892,0.73789065177164
EOS-2-34902,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccc(F)nc6)cn5)n34)cc2)o1,CBWFMXWZXYGMJL-UHFFFAOYSA-N,2,1,0.542,41,592,479.475,4.93,6,0.31,0.71,1.0,0.7664656294976355,0.6977845932424097,0.7319152217120143,0.629951682544034,0.7065292817490234
EOS-2-34903,Fc1cccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,PAQVQPHEYKXWLG-UHFFFAOYSA-N,2,1,0.568,17,960,479.475,5.087,6,0.34,0.76,1.0,0.9034678911657871,0.7214036049619629,0.8223048454526763,0.7780652456994037,0.8063103968199575
EOS-2-34904,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,QHPFOESNNUCPSI-UHFFFAOYSA-N,2,1,0.421,28,363,479.475,4.93,6,0.31,0.73,1.0,0.6881468028236584,0.6158847919950654,0.5254694674799534,0.5032040298814338,0.5831762730450277
EOS-2-34905,Cc1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)n2)no1,IFPCAKRVDFOPOM-UHFFFAOYSA-N,2,1,0.473,28,363,479.475,4.93,6,0.331,0.76,1.0,0.559882804468508,0.6586594476046879,0.5914347885682956,0.5565674045644575,0.5916361113014872
EOS-2-34906,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cccc(C)n4)cc3F)n12,MCSLXEBUDVLTSC-UHFFFAOYSA-N,2,1,0.318,3,923,479.475,5.026,6,0.339,0.69,1.0,0.562821259680625,0.5714310191213762,0.7160921115756288,0.6184805702145157,0.6172062401480365
EOS-2-34907,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccc(F)cn6)cc5)n34)cc2)n1,IUTGDMZJRRJGSK-UHFFFAOYSA-N,2,1,0.548,77,427,479.475,4.93,6,0.331,0.8,1.0,0.8617983688575149,0.6586680145295045,0.6604071002672881,0.5973116989925297,0.6945462956617092
EOS-2-34908,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5F)n34)cc2)n1,AWQSEVVEUQLHOO-UHFFFAOYSA-N,2,1,0.489,77,323,479.475,4.93,6,0.331,0.67,1.0,0.8528030978000137,0.6685199780686725,0.7393513124528819,0.6648019326982386,0.7313690802549517
EOS-2-34909,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)cc2F)o1,VGFPVQPVJIFGJB-UHFFFAOYSA-N,2,1,0.522,77,897,479.475,4.93,6,0.331,0.77,1.0,0.8004077856212733,0.6343636488246179,0.6043622781166472,0.5629668974025084,0.6505251524912616
EOS-2-34910,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5noc(C)n5)c4)n23)c(F)c1,PCOMUUHDYLXLRE-UHFFFAOYSA-N,2,1,0.37,30,192,479.475,5.026,6,0.339,0.7,1.0,0.5265917346309369,0.5529093276677404,0.6043708450414639,0.5565759714892742,0.5601119697073538
EOS-2-34911,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c(F)cn2)o1,MLOSTANTELYGBO-UHFFFAOYSA-N,2,1,0.494,12,285,479.475,4.93,6,0.331,0.73,1.0,0.8506099650469467,0.6831180179562745,0.5881707902131451,0.5821311082173943,0.6760074703584402
EOS-2-34912,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(F)cc5)n4)n23)cc1,JKIHWMWBYREYEL-UHFFFAOYSA-N,2,1,0.523,77,427,479.475,4.93,6,0.331,0.73,1.0,0.6968593653622096,0.6831265848810911,0.5189757384689192,0.5064508943869509,0.6013531457747927
EOS-2-34913,Cc1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)o1,YFPHXFMUCOSZGA-UHFFFAOYSA-N,2,1,0.489,77,427,479.475,4.93,6,0.331,0.78,1.0,0.8315913919539442,0.6831351518059078,0.6604156671921048,0.6094681653073812,0.6961525940648344
EOS-2-34914,Fc1ccc(COc2cncc3nnc(-c4cccc(Oc5ccccc5)c4)n23)nc1-n1cccn1,MLLIXFJUCQJPBS-UHFFFAOYSA-N,2,1,0.48,17,960,479.475,4.882,6,0.322,0.66,1.0,0.3428568980878624,0.4181430333767391,0.6011753820848468,0.5756116784319101,0.4844467479953396
EOS-2-34915,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)ccc2F)no1,WXGUXJYWWISRPZ-UHFFFAOYSA-N,2,1,0.534,77,427,479.475,4.93,6,0.331,0.78,1.0,0.8683263655678157,0.7260640120622301,0.6192687272976493,0.5789527791104105,0.6981529710095264
EOS-2-34916,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccc(F)cc6)no5)n34)cc2)n1,QGJULYHGIIKMDH-UHFFFAOYSA-N,2,1,0.506,12,857,479.475,4.93,6,0.331,0.78,1.0,0.7603488451785347,0.7535381399492838,0.5289048043314372,0.5166712356932356,0.6398657562881228
EOS-2-34917,Cc1cnc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,IHHBLRVWVUSNOP-UHFFFAOYSA-N,2,1,0.547,77,323,479.475,4.93,6,0.331,0.66,1.0,0.9034764580906038,0.7354876293605648,0.6900829278322254,0.6418340072647523,0.7427202556370366
EOS-2-34918,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncs5)n34)c2)cs1,ICEFITYOVCTITA-UHFFFAOYSA-N,2,1,0.557,15,684,420.523,4.301,5,0.408,0.78,1.0,0.6112158179699815,0.4840826536906312,0.20072304845452676,0.18117332602289082,0.36929871153450755
EOS-2-34919,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)s1,ZIARLIAXOZYZOI-UHFFFAOYSA-N,2,1,0.577,15,628,420.523,4.301,5,0.408,0.73,1.0,0.6056301829895141,0.5026643136179837,0.17413131382358987,0.16729490781988898,0.36243017956274415
EOS-2-34920,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)cs1,JNIMXMPRSOCUNI-UHFFFAOYSA-N,2,1,0.529,58,981,420.523,4.301,5,0.408,0.75,1.0,0.6112243848947981,0.5254437667055034,0.20776506065382772,0.17539065177164007,0.3799559660064423
EOS-2-34921,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cccs5)n34)c2)s1,RXELHPIUMWHDSX-UHFFFAOYSA-N,2,1,0.622,15,628,420.523,4.301,5,0.408,0.73,1.0,0.7307672537865808,0.6203652936741827,0.13983791378246865,0.1393153313686519,0.407571448152971
EOS-2-34922,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5csc(C)c5)c4)n23)n1,RAWISWUSRQFZHO-UHFFFAOYSA-N,2,1,0.538,4,43,420.523,4.567,5,0.415,0.76,1.0,0.3232129394832431,0.37067370296758273,0.2041498183811939,0.1568346926187376,0.26371778836268933
EOS-2-34923,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)s1,FBKKORNMCAWZIV-UHFFFAOYSA-N,2,1,0.544,75,496,420.523,4.301,5,0.408,0.71,1.0,0.5740010965663765,0.44026283325337534,0.22494174491124666,0.1921132890137756,0.3578297409361936
EOS-2-34924,Cn1nc(-c2ccc(F)nc2)cc1COc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,MHIUJRGADOZKQP-UHFFFAOYSA-N,2,1,0.448,28,297,479.479,3.762,6,0.332,0.6,1.0,0.4983722842848331,0.5161315194297855,0.4193938043999726,0.37120485230621614,0.4512756151052018
EOS-2-34925,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccncc5)n4)n23)c(F)c1,TXJJANROYLMSNB-UHFFFAOYSA-N,2,1,0.5,81,667,479.479,3.762,6,0.355,0.71,1.0,0.5315519840997875,0.5344647385374546,0.4630337194160784,0.4346429305736413,0.4909233431567404
EOS-2-34926,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)c(F)c4)n23)cc1,ZOUUTCCVLYGLFK-UHFFFAOYSA-N,2,1,0.558,77,190,479.479,3.762,6,0.355,0.8,1.0,0.6909824549379755,0.5114968131039682,0.5457131108217395,0.5530806661640737,0.5753182612569392
EOS-2-34927,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccc(F)nc4)n23)cc1,VONSKSUIEZMZIV-UHFFFAOYSA-N,2,1,0.478,67,755,479.479,3.762,6,0.332,0.65,1.0,0.7184822835994791,0.552917894592557,0.4767750668220136,0.43465149749845794,0.545706685628127
EOS-2-34928,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccncc5)n4)n23)cc1,CKYJWLYCPYLDME-UHFFFAOYSA-N,2,1,0.511,40,755,479.479,3.762,6,0.355,0.74,1.0,0.5628298266054417,0.4754300596257967,0.45943561099307795,0.42198958261942293,0.4799212699609348
EOS-2-34929,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)n1,KUSAGQXAHYXHHS-UHFFFAOYSA-N,2,1,0.441,40,2,479.479,3.762,6,0.355,0.56,1.0,0.5912634500719621,0.4754386265506134,0.46304228634089506,0.4282948392844904,0.48950980056199034
EOS-2-34930,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)n2)cn1,XVXIEKHXQBWUED-UHFFFAOYSA-N,2,1,0.436,6,350,479.479,3.762,6,0.355,0.75,1.0,0.4267356589678569,0.5026728805428003,0.521999862929203,0.4902594064834487,0.48541695223082726
EOS-2-34931,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cn5)n34)cc2F)n1,KBNHSVJGMSAACR-UHFFFAOYSA-N,2,1,0.534,40,868,479.479,3.762,6,0.355,0.62,1.0,0.5183674868069358,0.5161400863546022,0.6278699198135838,0.5466297717771229,0.5522518161880612
EOS-2-34932,COc1nc(-c2ccc(F)nc2)ncc1-c1cncc2nnc(-c3ccc(-c4cc(C)[nH]n4)cc3)n12,ZJXXKBLUYQUWQR-UHFFFAOYSA-N,2,1,0.309,9,725,479.479,4.157,6,0.366,0.57,1.0,0.5133472688643684,0.502681447467617,0.4487954903707765,0.37121341923103285,0.4590094064834487
EOS-2-34933,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnc6)n5)n34)cc2F)n1,XVGGPICKLJOFJS-UHFFFAOYSA-N,2,1,0.484,40,350,479.479,3.762,6,0.355,0.65,1.0,0.4983808512096498,0.5209204304023027,0.5189843053937359,0.46594647385374544,0.5010580152148584
EOS-2-34934,Cn1cnnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,LHMYELMLIVJQOM-UHFFFAOYSA-N,2,1,0.542,67,755,479.479,3.762,6,0.355,0.69,1.0,0.8571122609827976,0.6203738605989993,0.5189928723185525,0.4691333698855459,0.6164030909464738
EOS-2-34935,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1F,AEDCMKLDEIRTDP-UHFFFAOYSA-N,2,1,0.5,81,218,479.479,3.762,6,0.355,0.59,0.945,0.5685868000822425,0.49832944966074977,0.52547803440477,0.46595504077856215,0.5145873312315811
EOS-2-34936,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnc5F)n4)n23)cc1,OVFVQJCVUAIULU-UHFFFAOYSA-N,2,1,0.462,40,350,479.479,3.762,6,0.332,0.7,1.0,0.5766311424850935,0.4934206017407991,0.5254866013295867,0.45979542183537797,0.5138334418477143
EOS-2-34937,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5cccc(F)n5)cc4)n23)n1,HGHBZTFHVHNKLH-UHFFFAOYSA-N,2,1,0.432,40,2,479.479,3.762,6,0.332,0.45,1.0,0.5822339113151943,0.45793639915016104,0.4453430196696594,0.4056353231444041,0.47278716331985476
EOS-2-34938,Cn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,GSSLIXMONFZDAM-UHFFFAOYSA-N,2,1,0.452,40,25,479.479,3.762,6,0.355,0.73,1.0,0.5997190048660133,0.6058957576588307,0.26102563223905145,0.3137636214104585,0.44510100404358843
EOS-2-34939,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)ccc1F,AOEMCXRKXOLQCO-UHFFFAOYSA-N,2,1,0.474,6,868,479.479,3.762,6,0.355,0.71,0.998,0.5740096634911932,0.562435748063875,0.6011839490096635,0.5301041738057707,0.5669333835926256
EOS-2-34940,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nncn6C)cc5F)n34)cc2)cn1,VPPDSVFZRGXPSQ-UHFFFAOYSA-N,2,1,0.33,9,642,479.479,3.859,6,0.367,0.73,1.0,0.33823075868686175,0.44027140017819205,0.4907734219724488,0.4346600644232746,0.42598391131519425
EOS-2-34941,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)nc2)nn1,ZFFLKFPACPAGLC-UHFFFAOYSA-N,2,1,0.451,40,518,479.479,3.762,6,0.355,0.75,1.0,0.49573367144129943,0.5209289973271195,0.45265060653827704,0.4629309163182784,0.48306104790624366
EOS-2-34942,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)nc2)nn1,ZVRXCVVHXGLRQB-UHFFFAOYSA-N,2,1,0.5,40,801,479.479,3.762,6,0.355,0.78,1.0,0.39976697964498664,0.4667003632376122,0.5220084298540196,0.4932492632444658,0.47043125899527105
EOS-2-34943,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)ccc2F)cn1,BQDFUWRPMZKGOR-UHFFFAOYSA-N,2,1,0.489,81,218,479.479,3.762,6,0.355,0.65,0.941,0.4567798642999109,0.5344733054622712,0.5491056130491399,0.4902679734082654,0.5076566890548968
EOS-2-34944,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)c(F)c4)n23)cc1,PBBYFNKSLXJVPD-UHFFFAOYSA-N,2,1,0.517,77,755,479.479,3.762,6,0.355,0.74,1.0,0.6849941744911247,0.5026900143924337,0.41195771365910494,0.43138749914330754,0.5077573504214927
EOS-2-34945,COc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)cc4F)n23)cn1,NDJYPVMJWXKARG-UHFFFAOYSA-N,2,1,0.309,32,693,479.479,3.859,6,0.367,0.59,0.757,0.2841306284696046,0.36104447947364815,0.49748132410389967,0.4374785826879583,0.3950337536837777
EOS-2-34946,Cn1nnnc1-c1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)c1,HCHPQLIARZDSFL-UHFFFAOYSA-N,2,1,0.581,77,190,479.479,3.762,6,0.355,0.72,1.0,0.7307758207113975,0.6107617709546981,0.5289133712562538,0.5662480296072921,0.6091747481324103
EOS-2-34947,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncccc6F)cc5)n34)n2)cn1,LHNBZPDGXDNJPC-UHFFFAOYSA-N,2,1,0.457,40,350,479.479,3.762,6,0.355,0.67,1.0,0.49838941813446647,0.4983380165855664,0.4974898910287163,0.4535329997943938,0.48693758138578574
EOS-2-34948,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)c4)n23)cc1,CIIKUHZTAFJBEG-UHFFFAOYSA-N,2,1,0.542,67,755,479.479,3.762,6,0.355,0.76,1.0,0.7863837296963881,0.5390137756151052,0.4630508532657117,0.41857137961757246,0.5517549345486944
EOS-2-34949,Cn1cnc(-c2ccc(F)nc2)c1COc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,RZGZYKLOPKAFKR-UHFFFAOYSA-N,2,1,0.432,40,355,479.479,3.762,6,0.332,0.62,1.0,0.6195942704406826,0.5298728668357207,0.4701442670139127,0.4219981495442396,0.5104023884586388
EOS-2-34950,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)c1,BSJWCTFIXGDQIR-UHFFFAOYSA-N,2,1,0.5,40,801,479.479,3.762,6,0.355,0.77,1.0,0.5572184908505243,0.5529264615173737,0.4734682338427798,0.4659636077033788,0.5123941984785141
EOS-2-34951,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cc1F,GRZGTIGWGDOQBN-UHFFFAOYSA-N,2,1,0.505,28,414,479.479,3.762,6,0.355,0.63,0.999,0.6542731820985539,0.5254523336303201,0.46659756013981224,0.4026283325337537,0.51223785210061
EOS-2-34952,Cn1nc(-c2cnc(F)cn2)cc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,RWROBSZDBOCKCE-UHFFFAOYSA-N,2,1,0.384,28,301,479.479,3.762,6,0.355,0.61,0.999,0.3910972517305188,0.40863374683023784,0.3569666232609143,0.35813172503598106,0.378707336714413
EOS-2-34953,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnc5)c4)n23)cc1,ARZWQQKWKCAUCJ-UHFFFAOYSA-N,2,1,0.57,77,190,479.479,3.762,6,0.355,0.77,1.0,0.7337228428483311,0.5344818723870879,0.5525238160509903,0.5565845384140908,0.5943282674251251
EOS-2-34954,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)ccc1F,PGSZUSWUJAJUIX-UHFFFAOYSA-N,2,1,0.479,81,218,479.479,3.762,6,0.355,0.65,0.983,0.5084469878692345,0.5209375642519362,0.5289219381810705,0.472251730518813,0.5076395552052635
EOS-2-34955,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6cncnn6)c5)n34)cc2)n[nH]1,VNXRFAUVDNVWKB-UHFFFAOYSA-N,2,1,0.505,77,763,479.479,4.06,6,0.38,0.67,1.0,0.8661932012884654,0.6781749023370571,0.6767527928174902,0.6184891371393325,0.7099025083955863
EOS-2-34956,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cc1,NGUSHFNLCAHZQG-UHFFFAOYSA-N,2,1,0.478,40,868,479.479,3.762,6,0.355,0.74,1.0,0.6056387499143308,0.5390223425399219,0.5690494140223425,0.49647042697553284,0.552545233363032
EOS-2-34957,Cn1nnnc1-c1ccccc1COc1cncc2nnc(-c3ccc(-c4ccc(F)cn4)cc3)n12,KGWYVFDIOIHZNV-UHFFFAOYSA-N,2,1,0.505,77,755,479.479,3.762,6,0.355,0.77,1.0,0.7487577959015832,0.5821568089918443,0.42695839901309024,0.45655712425467754,0.5536075320402989
EOS-2-34958,Cn1nc(-c2ccnc(F)c2)nc1COc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,CDWJZZPROVKKFS-UHFFFAOYSA-N,2,1,0.417,28,363,479.479,3.762,6,0.332,0.72,0.983,0.47369954081282983,0.5161486532794188,0.23967685559591528,0.27707148242067026,0.3766491330272086
EOS-2-34959,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cn4)n23)c(F)c1,SFNYBRMFZSHWCA-UHFFFAOYSA-N,2,1,0.59,40,25,479.479,3.762,6,0.355,0.71,1.0,0.5522068398327736,0.5529350284421904,0.5153690631211021,0.48447673223219795,0.5262469159070661
EOS-2-34960,COc1nc(-c2cnnn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)nc3)n12,SEAXSIRYWFJJGE-UHFFFAOYSA-N,2,1,0.323,32,693,479.479,3.859,6,0.367,0.68,1.0,0.30294359536700705,0.41815160030155574,0.4234630936878898,0.39957850729901995,0.3860341991638681
EOS-2-34961,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)c(F)c1,LNJJTRVVLSECGX-UHFFFAOYSA-N,2,1,0.462,67,755,479.479,3.762,6,0.355,0.67,1.0,0.5942019052840792,0.5714395860461928,0.4119662805839216,0.4090963607703379,0.49667603317113285
EOS-2-34962,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(F)c5)cn4)n23)cc1,FRCFXFFYIOWGLO-UHFFFAOYSA-N,2,1,0.5,67,755,479.479,3.762,6,0.355,0.76,1.0,0.6395123706394352,0.5254609005551367,0.45608594338976083,0.4472791446782263,0.5170845898156398
EOS-2-34963,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)cn1,RDDMZXILSAOPOP-UHFFFAOYSA-N,2,1,0.511,81,2,479.479,3.762,6,0.355,0.72,1.0,0.8340243986018778,0.5437341511890892,0.4630594201905284,0.437487149612775,0.5695762798985676
EOS-2-34964,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cccc(F)n5)cc4)n23)cn1,NMBYYMHNBPDKTF-UHFFFAOYSA-N,2,1,0.495,77,755,479.479,3.762,6,0.332,0.51,1.0,0.7664741964224522,0.5209461311767528,0.44535158659447605,0.41857994654238917,0.5378379651840176
EOS-2-34965,Cn1nc(-c2cnccn2)nc1COc1cncc2nnc(-c3ccc(-c4cccc(F)c4)cc3)n12,RMXRFLHOZYHTKP-UHFFFAOYSA-N,2,1,0.483,40,25,479.479,3.762,6,0.355,0.68,1.0,0.6028287985744637,0.6059043245836474,0.2644438352409019,0.34203447330546227,0.45380285792611885
EOS-2-34966,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)c4)n23)cc1,CKFOBNRLMQWPFR-UHFFFAOYSA-N,2,1,0.566,67,755,479.479,3.762,6,0.355,0.6,1.0,0.8136436844630252,0.5872369954081283,0.6369080254951682,0.5881108217394284,0.6564748817764375
EOS-2-34967,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(Cc6ccccc6)n5)n4)n23)cc1,VDRORFLDQRUXJY-UHFFFAOYSA-N,2,1,0.511,81,177,479.479,3.606,6,0.342,0.67,1.0,0.5598913713933247,0.5486344321842231,0.32335857720512645,0.3745116852854499,0.45159901651703105
EOS-2-34968,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)nc2)cn1,NAPFGXXYDYZVMH-UHFFFAOYSA-N,2,1,0.471,40,518,479.479,3.762,6,0.332,0.66,1.0,0.582242478240011,0.5344904393119047,0.5786957713659104,0.5032125968062504,0.5496603214310192
EOS-2-34969,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(F)c5)nn4)n23)cc1,RTPGVUZEAFVTAB-UHFFFAOYSA-N,2,1,0.517,67,755,479.479,3.762,6,0.355,0.72,1.0,0.6605955726132547,0.5669333835926256,0.44181344664519223,0.44383524090192583,0.5282944109382496
EOS-2-34970,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccc(F)cn6)n5)n34)cc2)cn1,NHXWLNDJDOAXTP-UHFFFAOYSA-N,2,1,0.484,40,25,479.479,3.762,6,0.355,0.65,1.0,0.5059368788979508,0.5390309094647385,0.47678363374683025,0.42200671646905624,0.48593953464464396
EOS-2-34971,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)nc2)cn1,VUZAZSUMNZGWBZ-UHFFFAOYSA-N,2,1,0.461,40,518,479.479,3.762,6,0.355,0.73,1.0,0.5942104722088959,0.5390394763895552,0.532134534987321,0.46597217462819546,0.5328391645534919
EOS-2-34972,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)cn2)nn1,NSNCQHYQWCZGSF-UHFFFAOYSA-N,2,1,0.478,40,177,479.479,3.762,6,0.355,0.68,1.0,0.46619491467342883,0.47103522719484614,0.4526591734630937,0.46914193681036254,0.46475781303543284
EOS-2-34973,Cn1cnnc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)c1,MPODEMOJYMNCHK-UHFFFAOYSA-N,2,1,0.494,40,801,479.479,3.762,6,0.355,0.7,1.0,0.6699592214378727,0.5529435953670071,0.5117623877732849,0.5032211637310671,0.5594715920773079
EOS-2-34974,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(-c6ccncc6)n5)n34)cc2)n1,ARCRINXOPKZUCG-UHFFFAOYSA-N,2,1,0.44,40,59,479.479,3.762,6,0.355,0.66,1.0,0.5882821602357617,0.5254694674799534,0.41940237132478925,0.3680864916729491,0.47531012267836337
EOS-2-34975,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3F)n12,YLFADLWUAYKUMW-UHFFFAOYSA-N,2,1,0.337,42,50,479.479,3.859,6,0.367,0.68,1.0,0.36134432184223153,0.3610530463984648,0.552532382975807,0.4844852991570146,0.4398537625933795
EOS-2-34976,Cn1nc(-c2ccncc2)cc1COc1cncc2nnc(-c3ccc(-c4ccc(F)cn4)nc3)n12,JYHJYYFJFDPKNC-UHFFFAOYSA-N,2,1,0.426,6,297,479.479,3.762,6,0.355,0.62,1.0,0.5109999314646014,0.52547803440477,0.4453601535192927,0.3964858474402029,0.46958099170721673
EOS-2-34977,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)ccc1F,KLGMCZJVSUQLRF-UHFFFAOYSA-N,2,1,0.484,28,414,479.479,3.762,6,0.355,0.65,1.0,0.6112329518196148,0.5437427181139058,0.4666061270646289,0.40910492769515455,0.507671681173326
EOS-2-34978,Cn1nc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1-c1cccc(F)c1,MJYMSIUVRWXNJP-UHFFFAOYSA-N,2,1,0.444,81,218,479.479,3.762,6,0.355,0.62,0.363,0.3029521622918237,0.322493317798643,0.37200157631416625,0.38384963333561783,0.3453241724350627
EOS-2-34979,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccnnc6)cc5F)n34)cc2)nn1,QDNRVRJAHWKVGA-UHFFFAOYSA-N,2,1,0.494,77,245,479.479,3.762,6,0.355,0.64,1.0,0.5366750051401549,0.5529521622918238,0.6576057158522377,0.6094767322321979,0.5891774038791036
EOS-2-34980,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(-c6cccnc6)n5)n34)cc2)cn1,GMBMUPDWSCHYRB-UHFFFAOYSA-N,2,1,0.436,40,518,479.479,3.762,6,0.355,0.65,1.0,0.5656826125693921,0.5579124117606744,0.4560945103145775,0.4091134946199712,0.4972007573161538
EOS-2-34981,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nn5)c4)n23)cc1,CJMFKOOFMGKQNK-UHFFFAOYSA-N,2,1,0.511,67,755,479.479,3.762,6,0.355,0.7,1.0,0.7834795421835378,0.5768453156055102,0.5117709546981015,0.46915050373517925,0.5853115790555822
EOS-2-34982,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)ccc5F)n34)cn2)cn1,UGNCXJVLRNWQCH-UHFFFAOYSA-N,2,1,0.447,6,843,479.479,3.762,6,0.355,0.62,1.0,0.4662034815982455,0.49834658351038313,0.49400315262833255,0.4313960660681242,0.47248732095127133
EOS-2-34983,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnc(F)cn6)nc5)n34)cc2)n1,JWTZQJLOBKSQQQ-UHFFFAOYSA-N,2,1,0.495,40,2,479.479,3.762,6,0.355,0.62,1.0,0.645217942567336,0.5072904530189843,0.5321431019121377,0.4374957165375917,0.5305368035090123
EOS-2-34984,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cn2)n1C,JOQBBFYWWPSSQW-UHFFFAOYSA-N,2,1,0.424,67,722,479.479,4.284,6,0.337,0.63,1.0,0.4884946199712151,0.582165375916661,0.37201014323898296,0.36809505859776576,0.4526912994311562
EOS-2-34985,Cn1cnc(-c2ccc(F)nc2)c1COc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,VWWPNRXCPGXGSI-UHFFFAOYSA-N,2,1,0.457,28,297,479.479,3.762,6,0.332,0.71,1.0,0.5522154067575903,0.5254866013295867,0.3796518401754506,0.3452299362620794,0.45064594613117676
EOS-2-34986,Cn1nc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4cccc(F)c4)cc3)n12,XDEACEJGHCMZRK-UHFFFAOYSA-N,2,1,0.473,77,755,479.479,3.762,6,0.355,0.71,0.996,0.5766397094099103,0.6107703378795147,0.2539150846412172,0.3420430402302789,0.44584204304023034
EOS-2-34987,Cc1ncnc(-c2ccc(F)cc2)c1-c1nnc2cncc(OCc3cn(-c4ccccc4)nn3)n12,MKPINXKFCHOPOQ-UHFFFAOYSA-N,2,1,0.628,77,104,479.479,3.856,6,0.354,0.72,1.0,0.1443184154615859,0.36106161332328146,0.2870433829072716,0.33889897882256187,0.2828305976286752
EOS-2-34988,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(F)c5)cn4)n23)cc1,IXDNIGSHTVGPEK-UHFFFAOYSA-N,2,1,0.583,25,755,479.479,3.762,6,0.355,0.79,1.0,0.5468953464464396,0.5161572202042355,0.4767922006716469,0.49647899390034955,0.509080940305668
EOS-2-34989,COc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncc(C)n6)c(F)c5)n34)nn2)cc1,PNSDKXNEGLKPEW-UHFFFAOYSA-N,2,1,0.345,10,620,479.479,3.952,6,0.366,0.61,1.0,0.04447947364813926,0.220007196216846,0.5457216777465561,0.47521588650538005,0.3213560585292303
EOS-2-34990,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6cncnc6)n5)n34)cc2)n1,RLRHSBPURBKUJM-UHFFFAOYSA-N,2,1,0.473,40,868,479.479,3.762,6,0.355,0.69,1.0,0.4983979850592831,0.5115053800287849,0.5321516688369543,0.4598039887601946,0.5004647556713042
EOS-2-34991,Cc1ncn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)nc2)n1,HAHYSCPRVDDLNV-UHFFFAOYSA-N,2,1,0.484,40,932,479.479,3.856,6,0.354,0.64,1.0,0.4038191350832705,0.38965800836131864,0.4839027482694812,0.4249880063052567,0.42559197450483177
EOS-2-34992,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4F)n23)nc1,YMDWTOKYKDVHGB-UHFFFAOYSA-N,2,1,0.484,6,355,479.479,3.856,6,0.332,0.56,1.0,0.38895552052635185,0.4040847097525872,0.4630679871153451,0.3745202522102666,0.4076571174011377
EOS-2-34993,Fc1cc(-c2nnc3cncc(OCc4nc(-c5nncs5)ns4)n23)ccc1-c1nc[nH]n1,IGGYDLOVAFEVDQ-UHFFFAOYSA-N,2,1,0.424,47,425,479.486,2.665,6,0.378,0.55,1.0,0.49088479199506546,0.5821739428414776,0.027988143376053733,0.047220889589472965,0.28706694195051746
EOS-2-34994,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)cc1F,LWYRMNAMCXEHEI-UHFFFAOYSA-N,2,1,0.6,12,492,479.49,6.106,6,0.289,0.72,1.0,0.8768076211363169,0.792037900075389,0.9693818107052292,0.9649098759509287,0.900784301966966
EOS-2-34995,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(F)c(-c6ccccc6F)n5)n34)cc2)n1C,NMLHBWRJKSIQAA-UHFFFAOYSA-N,2,1,0.35,93,74,479.494,5.507,6,0.334,0.71,1.0,0.3079980810088411,0.380311493386334,0.7942995682269892,0.7896048934274553,0.5680535090124049
EOS-2-34996,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)c(F)c5F)n34)cc2)n1,RQJVGDCDVCVLQJ-UHFFFAOYSA-N,2,1,0.306,69,867,479.494,5.507,6,0.334,0.72,1.0,0.3029607292166404,0.38032006031115073,0.8541566719210473,0.8199232403536426,0.5893401754506202
EOS-2-34997,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5F)n34)cc2)ccc1F,IDAFOIZDAXOPFZ-UHFFFAOYSA-N,2,1,0.321,9,867,479.494,5.507,6,0.334,0.7,1.0,0.28956205880337194,0.37559968473716676,0.8541652388458639,0.8277962442601604,0.5867808066616408
EOS-2-34998,CCn1c(-c2cc(F)cc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,UWEMRYZFSYMYIJ-UHFFFAOYSA-N,2,1,0.392,93,689,479.494,5.682,6,0.318,0.78,1.0,0.20536632170516073,0.384749160441368,0.6250599684737167,0.7683760537317524,0.49588787608799945
EOS-2-34999,OCCCOc1cc(-c2ccc(-c3nnc4cncc(OCc5sncc5F)n34)cn2)ccn1,ZOKHCWMWJKZDCY-UHFFFAOYSA-N,2,1,0.412,55,879,479.497,3.184,5,0.318,0.6,1.0,0.5496795970118566,0.5161657871290521,0.26103419916386816,0.22358817079021315,0.3876169385237475
EOS-2-35000,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)nn2C)cn1,RKNAZIQKUZBXJI-UHFFFAOYSA-N,2,1,0.442,31,569,420.502,3.091,5,0.402,0.63,0.997,0.09177746556096224,0.004471934754300596,0.07018881502295936,0.04995373860598999,0.054097988486053045
EOS-2-35001,CCCn1nc(-c2nnc3cncc(OCc4cccs4)n23)cc1-c1cncn1C,PUKQWBWZULAZLF-UHFFFAOYSA-N,2,1,0.456,31,105,420.502,3.439,5,0.401,0.66,0.987,0.05041635254609005,0.011719553149201563,0.0279967103008704,0.025186758961003357,0.028829843739291344
EOS-2-35002,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)cn2)cc1,DHOQXIPKBXDAJR-UHFFFAOYSA-N,2,1,0.324,30,668,420.501,5.373,6,0.385,0.74,1.0,0.02369611404290316,0.08329620999246111,0.6740028099513399,0.7134192310328284,0.3736035912548832
EOS-2-35003,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6cccc6)cc5)n34)s2)nc1,LCUAMITTWVLKMJ-UHFFFAOYSA-N,2,1,0.298,32,126,420.501,5.373,6,0.385,0.81,1.0,0.0205177849359194,0.029727229113837298,0.6073692687272977,0.6532280172709204,0.3277105750119937
EOS-2-35004,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)c1,HKDJICCUNRUCKJ-UHFFFAOYSA-N,2,1,0.31,69,898,420.501,5.577,6,0.404,0.76,1.0,0.17439688849290658,0.2457936399150161,0.7583870193955178,0.780506819272154,0.48977109176889866
EOS-2-35005,Cc1onnc1-c1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)n1C,NKSXDDGIOQYQPT-UHFFFAOYSA-N,2,1,0.506,17,960,479.5,4.86,6,0.32,0.59,0.998,0.3613528887670482,0.3125214173120417,0.3981563977794531,0.3420516071550956,0.35352057775340967
EOS-2-35006,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)cc2)c1,MFTSLGIBQSMWGY-UHFFFAOYSA-N,2,1,0.333,69,958,420.497,6.447,6,0.329,0.77,1.0,0.14432698238640257,0.15452162291823726,0.8729525049688164,0.885006168185868,0.514201819614831
EOS-2-35007,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4c(-c5ccncc5)noc4C)n23)cc1,LPNPUYNDBSMAKN-UHFFFAOYSA-N,2,1,0.473,56,415,479.504,4.007,6,0.334,0.62,1.0,0.3002707148242067,0.205152148584744,0.14268213282160236,0.11721266534164897,0.1913294153930505
EOS-2-35008,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6cccc6)nc5)n34)cc2)n[nH]c1=O,ZYLCWNJJXROBFD-UHFFFAOYSA-N,2,1,0.523,40,201,479.504,2.687,6,0.374,0.67,1.0,0.45453532999794394,0.2815605510246042,0.1836834349941745,0.16469912960043862,0.2711196114042903
EOS-2-35009,Cc1nnc(-c2ccc(-c3cc(-c4nnc5cncc(OCCc6ccncc6)n45)nn3C)cc2)o1,ZMGQZCZQBWETOD-UHFFFAOYSA-N,2,1,0.471,81,889,479.504,3.567,6,0.338,0.66,1.0,0.2544805016791173,0.09907648550476321,0.1772411075320403,0.13694229319443493,0.16693509697758893
EOS-2-35010,CCn1nc(-c2nccn2C)nc1COc1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,LBTNGHIXLBPSHL-UHFFFAOYSA-N,2,1,0.4,56,197,479.508,2.839,6,0.34,0.68,1.0,0.25705914604893426,0.215004112123912,0.021614351312452883,0.02264238229045302,0.12907999794393804
EOS-2-35011,Cn1cc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccn(C)n6)nc5)n34)nn2)cn1,ISCFZBAOHLBNHI-UHFFFAOYSA-N,2,1,0.439,71,549,479.508,2.399,6,0.339,0.64,1.0,0.40382770200808715,0.2923120416695223,0.10274312932629703,0.06755020217942567,0.21660826879583303
EOS-2-35012,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nncn6C)n5)n34)cc2)n(C)n1,YYTKWRGGDFMVMF-UHFFFAOYSA-N,2,1,0.473,67,415,479.508,2.665,6,0.354,0.65,1.0,0.28413919539442123,0.17869748475087383,0.045370433829072715,0.030780960866287437,0.1347470187101638
EOS-2-35013,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)n4)n23)c1,BLIXFRGINKSCBM-UHFFFAOYSA-N,2,1,0.423,71,448,479.508,2.839,6,0.34,0.71,1.0,0.15548111849770407,0.14289630594201905,0.07239051470084298,0.06116784319100815,0.10798394558289358
EOS-2-35014,CCn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cc(C)[nH]n6)cn5)n34)n2)cn1,FDGSPMZAWDAIOV-UHFFFAOYSA-N,2,1,0.346,80,549,479.508,3.137,6,0.366,0.63,0.716,0.18883215680899185,0.13927249674456857,0.11932869577136591,0.07513193064217669,0.13064131999177575
EOS-2-35015,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cn(C)nn6)cn5)n34)cc2)n(C)n1,PGFXUKQSFFNIDC-UHFFFAOYSA-N,2,1,0.506,56,415,479.508,2.665,6,0.354,0.66,1.0,0.21109759440751147,0.16994208758823934,0.09070659995887877,0.05520526351860736,0.13173788636830921
EOS-2-35016,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cn(C)nn6)n5)n34)cn2)c1,JNWGLGWTINFWSO-UHFFFAOYSA-N,2,1,0.412,6,843,479.508,2.839,6,0.34,0.66,1.0,0.1888407237338085,0.17450825851552326,0.0977743129326297,0.059591529024741276,0.1301787060516757
EOS-2-35017,CC(C)n1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n(C)n1,OTSZQFFYKKBHEP-UHFFFAOYSA-N,2,1,0.311,6,502,479.508,3.614,6,0.352,0.74,0.886,0.25210746350490026,0.17451682544033995,0.12491433075183332,0.07514049756699336,0.15666977931601672
EOS-2-35018,CCn1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)n2)n1,AXWACCRAIFZOJV-UHFFFAOYSA-N,2,1,0.404,56,614,479.508,2.839,6,0.34,0.58,1.0,0.3544051127407306,0.18273250633952437,0.05988280446850799,0.04317730107600576,0.1600494311561922
EOS-2-35019,Cc1nn(C)cc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)n1,OVKMWDWPHOJNTH-UHFFFAOYSA-N,2,1,0.421,56,614,479.508,2.665,6,0.354,0.7,1.0,0.2653090946473854,0.1504180659310534,0.10016448495648002,0.06579398259200878,0.1454214070317319
EOS-2-35020,CCCn1cnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)n1,PAYGTSLICKNHIZ-UHFFFAOYSA-N,2,1,0.366,67,789,479.508,3.443,6,0.338,0.65,1.0,0.3933075183332191,0.2006630799808101,0.03927078335960524,0.036066753478171475,0.16732703378795147
EOS-2-35021,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)n4)n23)cc1,HXLXHSLSADUDEV-UHFFFAOYSA-N,2,1,0.478,67,734,479.508,2.839,6,0.34,0.64,1.0,0.34286546501267906,0.18711877184565828,0.062058803371941605,0.04996230553080666,0.16050133644027142
EOS-2-35022,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccnn6C)n5)n34)cc2)n1,KSJHRRSPYVCOLH-UHFFFAOYSA-N,2,1,0.454,56,415,479.508,2.839,6,0.34,0.69,1.0,0.2895706257281886,0.22001576314166266,0.05436570488657391,0.030789527791104106,0.14868540538688232
EOS-2-35023,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc6ccccc56)n34)c2)c(F)n1,YBFMKLQOFYBFMR-UHFFFAOYSA-N,2,1,0.505,11,73,479.519,4.984,6,0.321,0.72,1.0,0.4834058666301145,0.422554999657323,0.6163731067096155,0.6127749982866151,0.533777242820917
EOS-2-35024,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,NZMXUMQVMUXLMC-UHFFFAOYSA-N,2,1,0.396,62,366,420.476,4.222,5,0.435,0.84,1.0,0.14146562949763553,0.08330477691727778,0.4418220135700089,0.3420601740799123,0.25216314851620864
EOS-2-35025,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6ncncn6)cc5)n34)s2)cc1,QTWYIJKYWMPDCP-UHFFFAOYSA-N,2,1,0.517,12,285,479.525,5.076,6,0.313,0.56,1.0,0.715235419093962,0.5161743540538688,0.5044890686039339,0.42201528339387295,0.5394785312864094
EOS-2-35026,Oc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccs6)nn5)n34)nc2)c1,ZGBBTSQSJWIZIO-UHFFFAOYSA-N,2,1,0.421,28,218,479.525,4.656,6,0.367,0.72,0.81,0.43818963744774175,0.3993043657048866,0.4157442944280721,0.40912206154478786,0.4155900897813721
EOS-2-35027,c1cnc(Oc2cccc(COc3cncc4nnc(-c5ccc(-c6ccns6)cc5)n34)c2)nc1,NQCFVZJAIVCDEN-UHFFFAOYSA-N,2,1,0.541,41,190,479.525,5.076,6,0.313,0.67,1.0,0.6606041395380714,0.5437512850387225,0.5590175450620245,0.4565656911794942,0.5549846652045781
EOS-2-35028,Cn1ccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cccs5)n34)c2)n1,IATASRBVGBCOGX-UHFFFAOYSA-N,2,1,0.6,37,563,420.473,4.014,5,0.415,0.8,1.0,0.6452265094921527,0.620382427523816,0.5289305051058872,0.49953738605989995,0.5735192070454389
EOS-2-35029,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5csc(F)c5)n34)cc2)cn1,MZEXAHBSIFRIEQ-UHFFFAOYSA-N,2,1,0.53,16,519,420.473,4.454,5,0.406,0.68,1.0,0.4545438969227606,0.48870879309163184,0.6337553971626345,0.5565931053389076,0.5334002981289837
EOS-2-35030,Cn1nc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1ccc(F)cc1,INYHAYCWMJCHOA-UHFFFAOYSA-N,2,1,0.542,95,835,420.473,4.014,5,0.415,0.76,1.0,0.5158916455349187,0.43616784319100815,0.47347680076759646,0.4995459529847166,0.48127056061956
EOS-2-35031,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)c(F)c2)cn1,JGVQKHSGSDBDLW-UHFFFAOYSA-N,2,1,0.585,35,619,420.473,4.014,5,0.415,0.73,1.0,0.6512319237886368,0.6635168939757384,0.6518573093002535,0.6001730518812967,0.6416947947364813
EOS-2-35032,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1F,LNSXGAFUOLYHPT-UHFFFAOYSA-N,2,1,0.571,26,619,420.473,4.014,5,0.415,0.72,1.0,0.7947279144678226,0.6635254609005551,0.6431361798368858,0.5944332122541293,0.6739556918648482
EOS-2-35033,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1F,QSWBBSXQLQGDGI-UHFFFAOYSA-N,2,1,0.585,35,353,420.473,4.014,5,0.415,0.67,1.0,0.8528116647248304,0.7790418751285039,0.5423805770680556,0.5032297306558837,0.6693659618943184
EOS-2-35034,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2F)n1,AZJOORTZCVULGR-UHFFFAOYSA-N,2,1,0.578,35,619,420.473,4.014,5,0.415,0.68,1.0,0.7216092111575629,0.6781834692618738,0.5945360153519292,0.5499194709067233,0.6360620416695223
EOS-2-35035,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2F)c1,QWDKSBGIYQHOKE-UHFFFAOYSA-N,2,1,0.578,35,619,420.473,4.014,5,0.415,0.68,1.0,0.8086234665204578,0.7124083339044617,0.6130919745048318,0.5662565965321088,0.675095092865465
EOS-2-35036,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)s5)n34)c2)cn1,IOESYLRYMKZPJM-UHFFFAOYSA-N,2,1,0.396,80,34,479.529,4.049,6,0.349,0.55,1.0,0.4242855184702899,0.33655164142279487,0.17724967445685696,0.1369508601192516,0.2687594236172983
EOS-2-35037,Cc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)ns1,CWSFOSYSNKDYTH-UHFFFAOYSA-N,2,1,0.398,28,363,479.529,4.049,6,0.349,0.64,1.0,0.3258172846275101,0.36582482352134876,0.10017305188129669,0.11943149886916593,0.22781166472483036
EOS-2-35038,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)ccn2)s1,TVVLTPLBISTYPD-UHFFFAOYSA-N,2,1,0.478,28,597,479.529,4.049,6,0.349,0.7,1.0,0.34062949763552874,0.34661777808237954,0.15471009526420396,0.11944006579398259,0.2403493591940237
EOS-2-35039,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccns6)n5)n34)cc2)n1,NXOGMWSZNMCDLE-UHFFFAOYSA-N,2,1,0.463,40,355,479.529,4.049,6,0.349,0.59,1.0,0.48341443355493113,0.46245973545336166,0.19365533548077582,0.16218045370433828,0.3254274895483517
EOS-2-35040,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5nc(-c6ccccc6)ns5)n34)ccn2)cn1,AVTPXYFZTUJCFO-UHFFFAOYSA-N,2,1,0.433,28,857,479.529,4.049,6,0.349,0.73,1.0,0.35670104859159757,0.3658333904461654,0.12751867589610033,0.11944863271879926,0.24237543691316565
EOS-2-35041,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)s1,JCGCCLKRHXLBIQ-UHFFFAOYSA-N,2,1,0.398,28,363,479.529,4.049,6,0.349,0.68,1.0,0.3821019806730176,0.33161709272839424,0.10812315811116442,0.1261993694743335,0.23701040024672745
EOS-2-35042,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnccn6)n5)n34)cc2)cs1,LAWZSBFNXRWVOJ-UHFFFAOYSA-N,2,1,0.466,40,355,479.529,4.049,6,0.349,0.67,1.0,0.4381982043725584,0.39437838393530256,0.2358988417517648,0.1921218559385923,0.3151493214995545
EOS-2-35043,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cnccn6)c5)n34)cc2)cs1,JBAOZUZGFHIROH-UHFFFAOYSA-N,2,1,0.523,40,2,479.529,4.049,6,0.349,0.61,1.0,0.5341220615447879,0.42256356658213967,0.2904444520594887,0.23555616475909807,0.37067156123637857
EOS-2-35044,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(-c6nccs6)cn5)n34)ccn2)cn1,YLVWHBVCEQTFLO-UHFFFAOYSA-N,2,1,0.523,80,597,479.529,4.049,6,0.349,0.73,1.0,0.3933160852580358,0.4086423137550545,0.2610427660886848,0.18934617229799192,0.3130868343499418
EOS-2-35045,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccnnc6)n5)n34)cc2)cs1,FVCOUTODBSOFEW-UHFFFAOYSA-N,2,1,0.451,40,117,479.529,4.049,6,0.349,0.64,1.0,0.38453498732095126,0.3756082516619834,0.29045301898430537,0.23556473168391473,0.3215402474127887
EOS-2-35046,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccs6)n5)n34)cn2)n1,IKMZCJDGJNLOET-UHFFFAOYSA-N,2,1,0.433,80,277,479.529,4.049,6,0.349,0.69,1.0,0.4737081077376465,0.4624683023781783,0.19017716400520868,0.16218902062915497,0.32213564868754707
EOS-2-35047,Cc1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cn2)s1,XMTDFLSKGRQTBW-UHFFFAOYSA-N,2,1,0.473,40,25,479.529,4.049,6,0.349,0.7,1.0,0.4197022136933726,0.41816016722637245,0.16756904941402234,0.17539921869645672,0.29520766225755607
EOS-2-35048,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccsc6)nn5)n34)cc2)n1,AEGBMSMCDCFBTN-UHFFFAOYSA-N,2,1,0.446,56,355,479.529,4.049,6,0.349,0.61,1.0,0.44984922212322664,0.4402799671030087,0.1970992392570763,0.18118189294770748,0.31710258035775474
EOS-2-35049,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)cs1,WOFPBSYDLRPCBR-UHFFFAOYSA-N,2,1,0.466,40,621,479.529,4.049,6,0.349,0.69,1.0,0.48093859228291413,0.4490353642656432,0.28705194983208826,0.2235967377150298,0.3601556610239189
EOS-2-35050,COc1cc(-c2nnc(C)s2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,BJYNHKIOBBROPZ-UHFFFAOYSA-N,2,1,0.325,42,327,479.529,4.146,6,0.359,0.57,0.997,0.15016962511137003,0.0654684394489754,0.232386402576931,0.17540778562127338,0.15585806318963744
EOS-2-35051,Cc1csc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nc2)c1,RNGLIIUQWFFOCN-UHFFFAOYSA-N,2,1,0.383,80,855,479.529,4.049,6,0.349,0.67,1.0,0.37517133849633333,0.34156329244054556,0.2287368926050305,0.18382907271605783,0.2823251490644918
EOS-2-35052,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ccccn6)n5)n34)nc2)cs1,SRHHPHZRSWYZCV-UHFFFAOYSA-N,2,1,0.436,28,297,479.529,4.049,6,0.349,0.7,0.973,0.3728497018710164,0.32250188472345964,0.13345555479405113,0.10557878144061408,0.2335964807072853
EOS-2-35053,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)c2)ns1,OXMDHDBHWPJAQI-UHFFFAOYSA-N,2,1,0.469,81,609,479.529,4.049,6,0.349,0.66,1.0,0.2706805565074361,0.31252998423685835,0.14870468096771983,0.13465492426838463,0.21664253649509974
EOS-2-35054,COc1ncccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5nnc(C)s5)cc4)n23)cn1,WCMVTIIGHITLRB-UHFFFAOYSA-N,2,1,0.324,38,167,479.529,4.146,6,0.359,0.65,1.0,0.18590226852169145,0.15827393598793776,0.16442498800630526,0.12413474059351655,0.15818398327736277
EOS-2-35055,Fc1ccc(-c2cscc2COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,KGVGKMQZGQEIQA-UHFFFAOYSA-N,2,1,0.588,41,492,479.54,6.3,6,0.28,0.67,1.0,0.9366904256048249,0.9054211500239874,0.907365841957371,0.902285655541087,0.9129407682818176
EOS-2-35056,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)s5)n34)cc2)nc1,LVRKCTFHKHVOHD-UHFFFAOYSA-N,2,1,0.529,12,427,479.54,6.3,6,0.28,0.74,1.0,0.8899235830306353,0.857540607223631,0.8347525872112946,0.8318226989239943,0.8535098690973888
EOS-2-35057,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)s4)n23)cc1-c1ccccn1,VKZWWASGZJJYQJ-UHFFFAOYSA-N,2,1,0.457,12,93,479.54,6.3,6,0.28,0.86,1.0,0.7544548009046672,0.5919059694332123,0.8297837708176273,0.8358748543622782,0.7530048488794463
EOS-2-35058,OC1(c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cc5)n34)cc2)CCOCC1,OMHDHPUKVKEYPX-UHFFFAOYSA-N,2,1,0.5,1,637,479.54,4.43,6,0.385,0.64,1.0,0.5912720169967788,0.22002433006647934,0.6929442807209923,0.7047837708176273,0.5522560996504695
EOS-2-35059,Cn1nc(-c2nnc3cncc(OCc4cncs4)n23)cc1-c1ccnc(CO)c1,PWWTUACJZWVHSP-UHFFFAOYSA-N,2,1,0.44,95,694,420.458,2.115,5,0.444,0.57,1.0,0.2135648687547118,0.11214104585018161,0.1334641217188678,0.09522136933726269,0.13859785141525596
EOS-2-35060,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1nncn1C,KKTZJCOVRUJCEW-UHFFFAOYSA-N,2,1,0.494,36,375,420.458,2.631,5,0.413,0.66,1.0,0.33337331231581113,0.17870605167569048,0.12752724282091701,0.07891851141114385,0.1796312795558906
EOS-2-35061,COc1nc(-c2nnc3cncc(OCc4ccsc4)n23)ccc1-c1ncnn1C,DFIQOYFCINAUEH-UHFFFAOYSA-N,2,1,0.407,31,45,420.458,2.631,5,0.413,0.65,0.795,0.26531766157220205,0.12158179699814954,0.06393495990679186,0.03395072304845453,0.1211962853813995
EOS-2-35062,COc1nc(-c2nnc3cncc(OCc4cncs4)n23)ccc1-c1cn(C)cn1,NTJYYDQXYJVUFD-UHFFFAOYSA-N,2,1,0.449,49,62,420.458,2.631,5,0.413,0.61,0.999,0.32842162977177713,0.16594133369885547,0.09778287985744637,0.04722945651428963,0.15984382496059216
EOS-2-35063,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1nc(C)n[nH]1,QOGUODVZQSIZJD-UHFFFAOYSA-N,2,1,0.483,16,375,420.458,2.929,5,0.446,0.49,1.0,0.4267442258926736,0.297323692687273,0.14871324789253648,0.08224247824001096,0.2387559111781235
EOS-2-35064,COc1ccc(-c2nnc3cncc(OCc4nc(-c5cccs5)nn4C)n23)cn1,UTOOUZNXNOBLRB-UHFFFAOYSA-N,2,1,0.407,92,185,420.458,2.631,5,0.413,0.7,0.992,0.32322150640805974,0.3316256596532109,0.02678877390172024,0.013784182030018504,0.17385503049825235
EOS-2-35065,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ncnn1C,NVHFEFJHULKANA-UHFFFAOYSA-N,2,1,0.488,16,375,420.458,2.631,5,0.413,0.63,1.0,0.3635631553697485,0.19590843670755945,0.12230998560756631,0.06933212254129258,0.18777842505654171
EOS-2-35066,COc1nc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1nccn1C,KJGTWENUCYAMBO-UHFFFAOYSA-N,2,1,0.407,7,551,420.458,2.631,5,0.413,0.62,0.999,0.3258258515523268,0.1286752107463505,0.05619045987252416,0.026094852991570147,0.13419659379069288
EOS-2-35067,COc1cc(-c2nnc3cncc(OCc4cncs4)n23)ccc1-c1ncnn1C,COVHJMWBOJAEIV-UHFFFAOYSA-N,2,1,0.488,16,375,420.458,2.631,5,0.413,0.7,1.0,0.35441367966554727,0.1912651634569255,0.13660818312658488,0.07514906449181002,0.18935902268521693
EOS-2-35068,OCCn1nncc1-c1ccnc(-c2nnc3cncc(OCc4cccs4)n23)c1,CTYULJYHTGHDPQ-UHFFFAOYSA-N,2,1,0.462,92,544,420.458,2.078,5,0.425,0.72,1.0,0.10890274826948118,0.07281886094167637,0.06596532108834213,0.07111404290315948,0.07970024330066479
EOS-2-35069,COc1nc(-c2nnc3cncc(OCc4cncs4)n23)ccc1-c1ccnn1C,YICGSRXUXHMYQF-UHFFFAOYSA-N,2,1,0.438,49,62,420.458,2.631,5,0.413,0.62,1.0,0.23288328421629773,0.10909978754026455,0.09516996778836269,0.04445377287368926,0.12040170310465356
EOS-2-35070,Cn1c(-c2ccc(-c3nnc4cncc(OCc5nccs5)n34)cn2)cnc1CO,QQHWEOALXVXYFT-UHFFFAOYSA-N,2,1,0.523,7,85,420.458,2.115,5,0.444,0.63,1.0,0.3997755465698033,0.36584195737098213,0.05989137139332465,0.04318586800082243,0.21717368583373314
EOS-2-35071,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cnnn1C,JTFPATZKDODBRT-UHFFFAOYSA-N,2,1,0.488,16,638,420.458,2.631,5,0.413,0.65,1.0,0.2755894044273867,0.1745253923651566,0.1705931738743061,0.10361695565759715,0.1810812315811116
EOS-2-35072,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)nc5)n34)c(F)c2)cn1,IOAFODMUXDESDJ-UHFFFAOYSA-N,2,1,0.354,32,532,479.544,5.795,6,0.318,0.7,1.0,0.18591083544650813,0.3896665752861353,0.6929528476458091,0.653236584195737,0.4804417106435474
EOS-2-35073,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cc(C)no1,NKHKWNFFKFELFT-UHFFFAOYSA-N,2,1,0.561,16,83,420.454,3.799,5,0.409,0.61,1.0,0.42429408539510655,0.28156911794942086,0.3198033034062093,0.19213042286340895,0.3044492324035364
EOS-2-35074,COc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1nnco1,JJVURGUKSUXHFA-UHFFFAOYSA-N,2,1,0.536,15,925,420.454,3.533,5,0.394,0.72,1.0,0.5110084983894181,0.2765060653827702,0.31609382496059213,0.21249400315262834,0.3290255979713522
EOS-2-35075,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ncco1,WDCKDNXTLLIIEO-UHFFFAOYSA-N,2,1,0.54,4,61,420.454,3.799,5,0.409,0.76,1.0,0.37057089986978275,0.2765146323075869,0.19366390240559248,0.10138955520526352,0.2355347474470564
EOS-2-35076,COc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1ncon1,YOJXKYWARRLWNY-UHFFFAOYSA-N,2,1,0.556,35,604,420.454,3.533,5,0.394,0.72,1.0,0.554622712631074,0.317644438352409,0.2940339935576725,0.19739908162565967,0.3409250565417038
EOS-2-35077,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(S(C)(=O)=O)c5)n34)cn2)cs1,BDZDQUWYWYRJDY-UHFFFAOYSA-N,2,1,0.536,55,283,479.547,2.996,5,0.361,0.73,1.0,0.3821105475978343,0.3513981221300802,0.15798266054417107,0.114968131039682,0.2516148653279419
EOS-2-35078,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)c1,ZSZRMEGHBGXETM-UHFFFAOYSA-N,2,1,0.39,82,243,420.448,5.223,5,0.399,0.73,0.797,0.202573504214927,0.37561681858680007,0.8381022548146118,0.7805153861969707,0.5492019909533274
EOS-2-35079,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccsc5)n34)c2)cc1F,AQQOTAWNVJWKBX-UHFFFAOYSA-N,2,1,0.57,57,80,420.444,5.377,5,0.383,0.76,1.0,0.8706822698923994,0.8274792680419437,0.9515626070865603,0.9506459461311767,0.90009252278802
EOS-2-35080,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccs5)cc4F)n23)cc1,OJRWHWZDCIAGIX-UHFFFAOYSA-N,2,1,0.653,57,951,420.444,5.377,5,0.383,0.81,1.0,0.9815382770200809,0.9588873278048112,0.9456171612637927,0.9486412857240765,0.9586710129531903
EOS-2-35081,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cn1,DEJVEGNSNWJEGP-UHFFFAOYSA-N,2,1,0.275,98,642,420.44,3.039,6,0.466,0.67,1.0,0.10406243574806387,0.08664587759577821,0.25030840929340004,0.26534336234665207,0.17659002124597356
EOS-2-35082,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,KFBCUILGDMWYKB-UHFFFAOYSA-N,2,1,0.35,25,791,420.44,2.835,6,0.432,0.75,1.0,0.015000685353985334,0.04984236858337331,0.18687889795079157,0.2355732986087314,0.1218238126242204
EOS-2-35083,Cn1nc(-c2ccccc2)nc1-c1nnc2cncc(-c3ccc(-n4ccnc4)nc3)n12,MYHHTBKZJHLJSS-UHFFFAOYSA-N,2,1,0.308,98,342,420.44,2.834,6,0.432,0.67,1.0,0.003632376122267151,0.007050579124117606,0.07656260708656021,0.10362552258241382,0.047717771228839696
EOS-2-35084,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)cn1,DIWKRHLOMCVNDB-UHFFFAOYSA-N,2,1,0.282,38,154,420.44,3.039,6,0.466,0.63,1.0,0.0867058460694949,0.10231478308546364,0.3453498732095127,0.31377218833527515,0.21203567267493661
EOS-2-35085,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cc5)n34)cc2)n[nH]1,JJPLCWRLFQVWAD-UHFFFAOYSA-N,2,1,0.293,9,537,420.44,3.337,6,0.448,0.69,1.0,0.1144626824754986,0.10232335001028031,0.3233671441299431,0.31687341511890893,0.21425664793365773
EOS-2-35086,Cn1nc(-c2cccnc2)cc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,VMNFHROGSBLWCE-UHFFFAOYSA-N,2,1,0.282,38,7,420.44,3.039,6,0.466,0.68,1.0,0.043023096429305734,0.07633986704132685,0.2644524021657186,0.2590552395312179,0.16071765129189225
EOS-2-35087,Cn1nccc1-c1cncc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,OVMXHWJNZJDAAE-UHFFFAOYSA-N,2,1,0.259,42,7,420.44,3.039,6,0.466,0.6,1.0,0.08671441299431157,0.04985093550818998,0.3494791309711466,0.32281029401685973,0.20221369337262696
EOS-2-35088,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,VRMHQQDTLPBNHH-UHFFFAOYSA-N,2,1,0.316,9,642,420.44,3.039,6,0.466,0.69,1.0,0.12506853539853335,0.053654650126790486,0.26826468370913575,0.27708004934548697,0.18101697964498664
EOS-2-35089,Cn1cc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cn1,XKYKHMPMZFGYEL-UHFFFAOYSA-N,2,1,0.276,10,195,420.44,2.834,6,0.432,0.74,1.0,0.004035021588650538,0.00637379206360085,0.20415838530601055,0.212502570077445,0.10676744225892673
EOS-2-35090,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n1,FGYMSGHSZFKQHT-UHFFFAOYSA-N,2,1,0.286,38,7,420.44,3.039,6,0.466,0.61,1.0,0.06800424919470907,0.07634843396614352,0.2940425604824892,0.26235350558563497,0.1751871873072442
EOS-2-35091,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)nn1,IRPUMGFSGVVJLV-UHFFFAOYSA-N,2,1,0.309,9,537,420.44,3.039,6,0.466,0.65,1.0,0.06590535261462545,0.03876533479542184,0.319811870331026,0.31378075526009186,0.18456582825029128
EOS-2-35092,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,DLKKTGXMYVYERK-UHFFFAOYSA-N,2,1,0.301,9,537,420.44,3.039,6,0.466,0.68,1.0,0.15017819203618668,0.08331334384209445,0.28333390446165446,0.28591254883147144,0.20068449729285176
EOS-2-35093,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,UJPMFFOEWDUZAY-UHFFFAOYSA-N,2,1,0.273,9,7,420.44,3.039,6,0.466,0.68,1.0,0.07383832499485984,0.07979233774244397,0.34535844013432937,0.3106109930779247,0.2024000239873895
EOS-2-35094,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cn5)n34)cc2)nn1,IKOXCXDFKGNUCF-UHFFFAOYSA-N,2,1,0.291,38,725,420.44,3.039,6,0.466,0.66,1.0,0.05882907271605784,0.07635700089096017,0.305059625796724,0.29477931601672264,0.18375625385511618
EOS-2-35095,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)nn1,AHQCNPCVJPOUJN-UHFFFAOYSA-N,2,1,0.267,10,195,420.44,2.834,6,0.432,0.77,0.988,0.0006082516619834145,0.004840312521417312,0.21132890137756152,0.22980775820711397,0.11164630594201905
EOS-2-35096,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-n5ccnn5)cc4)n23)cc1,GNZLIWJKJRRPCB-UHFFFAOYSA-N,2,1,0.315,9,508,420.44,2.834,6,0.432,0.72,1.0,0.01102563223905147,0.009869097388801316,0.27595778219450345,0.2739616887122199,0.14270355013364402
EOS-2-35097,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)cn1,GMYKYRQUQSNNIJ-UHFFFAOYSA-N,2,1,0.311,98,620,420.44,2.834,6,0.432,0.71,1.0,0.00527722568706737,0.0076845315605510245,0.24664176547186623,0.2653519292714687,0.13123886299773835
EOS-2-35098,Cn1nccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)nn1,PIZFHGNAAGUGLO-UHFFFAOYSA-N,2,1,0.333,98,620,420.44,2.834,6,0.432,0.74,1.0,0.002458707422383661,0.02032931258995271,0.21440442738674526,0.25906380645603455,0.12406406346377905
EOS-2-35099,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-n6cccn6)nc5)n34)c2)nn1,IDNRENPLYMDSFW-UHFFFAOYSA-N,2,1,0.304,98,727,420.44,2.834,6,0.432,0.66,1.0,0.0047803440477006374,0.007693098485367692,0.22874545952984718,0.23861455691864847,0.119958364745391
EOS-2-35100,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)cc1,LNWJAWSBGCUTHT-UHFFFAOYSA-N,2,1,0.282,38,154,420.44,3.039,6,0.466,0.56,1.0,0.09410766911109589,0.0833219107669111,0.30137584812555684,0.2770886162703036,0.18897351106846688
EOS-2-35101,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2)n[nH]1,JTPGZWDPZHLYQV-UHFFFAOYSA-N,2,1,0.275,9,7,420.44,3.337,6,0.448,0.58,1.0,0.13094544582276746,0.15042663285587005,0.31610239188540884,0.2917808923308889,0.2223138407237338
EOS-2-35102,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)nc1,OUOUGAXFUWAFQA-UHFFFAOYSA-N,2,1,0.306,38,787,420.436,3.909,6,0.426,0.62,1.0,0.09411623603591254,0.06547700637379206,0.47680076759646356,0.43140463299294085,0.2669496607497772
EOS-2-35103,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)cc2)cn1,UYAWHNKVMUNTMD-UHFFFAOYSA-N,2,1,0.31,38,57,420.436,3.909,6,0.426,0.75,1.0,0.08672297991912822,0.0897385374545953,0.5190014392433692,0.47226029744362963,0.2919308135151806
EOS-2-35104,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cccc(-c5cocn5)c4)n23)nc1,SYPOAFQTGKTDRO-UHFFFAOYSA-N,2,1,0.32,32,983,420.436,3.909,6,0.426,0.61,1.0,0.19992632444657665,0.06548557329860873,0.3906432047152354,0.3681036255225824,0.2560396819957508
EOS-2-35105,c1cn(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)cn1,SLMSXGAZKPRKCP-UHFFFAOYSA-N,2,1,0.443,77,722,420.436,4.159,6,0.45,0.72,1.0,0.47608114591186346,0.35140668905489686,0.6576142827770544,0.6001816188061133,0.521320934137482
EOS-2-35106,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)o1,DEKWRXLCBGQKJC-UHFFFAOYSA-N,2,1,0.329,38,608,420.436,3.909,6,0.426,0.7,1.0,0.14433554931121925,0.053663217051607155,0.32337571105475976,0.2917894592557056,0.20329098416832292
EOS-2-35107,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c1,XGOGCBZCUDSMGZ-UHFFFAOYSA-N,2,1,0.324,25,791,420.436,3.909,6,0.426,0.84,1.0,0.08926735658967858,0.0387739017202385,0.3605818655335481,0.4220238503186896,0.2276617435405387
EOS-2-35108,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)o1,VJUYCVPUMQEXFH-UHFFFAOYSA-N,2,1,0.289,9,834,420.436,4.207,6,0.455,0.65,1.0,0.19707353848262626,0.17871461860050716,0.5010537317524502,0.4438438078267425,0.33017142416558154
EOS-2-35109,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4)n23)cc1,DGHQWRQMGDRIOR-UHFFFAOYSA-N,2,1,0.319,9,98,420.436,3.909,6,0.426,0.67,1.0,0.15548968542252073,0.08333047769172777,0.4418305804948256,0.4375042834624083,0.2795387567678706
EOS-2-35110,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)o1,XPJYEXNXINVDPZ-UHFFFAOYSA-N,2,1,0.32,3,668,420.436,4.002,6,0.425,0.78,1.0,0.022659516140086353,0.06904941402234253,0.34164039476389557,0.3389075457473785,0.19306421766842574
EOS-2-35111,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)c2)nn1,NUKYVLGSEAIDIA-UHFFFAOYSA-N,2,1,0.32,9,764,420.436,3.909,6,0.426,0.73,1.0,0.08018641628401069,0.042517647865122334,0.43047940511274074,0.41241176067438834,0.24139880748406553
EOS-2-35112,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)nn1,KBUCLGXNAAMAQN-UHFFFAOYSA-N,2,1,0.315,38,865,420.436,3.909,6,0.426,0.71,1.0,0.037034815982454936,0.0269858131725036,0.3380080186416284,0.36484819409224867,0.1917192104722089
EOS-2-35113,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)nc4)n23)cc1,OCHPHZUCIPOGOJ-UHFFFAOYSA-N,2,1,0.333,42,762,420.436,3.909,6,0.426,0.72,1.0,0.24134740593516552,0.0690579809471592,0.4488040572955932,0.3995870742238366,0.28969912960043864
EOS-2-35114,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)cn1,GELHYENDGPOTMD-UHFFFAOYSA-N,2,1,0.301,42,106,420.436,3.909,6,0.426,0.82,1.0,0.08673154684394489,0.029735796038653964,0.4382324720718251,0.4154615859091221,0.24254035021588652
EOS-2-35115,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6ccnc6)cc5)n34)cc2)no1,PKWQJLFNVYPCKX-UHFFFAOYSA-N,2,1,0.307,9,867,420.436,4.002,6,0.425,0.77,1.0,0.09883661160989651,0.03586114728257145,0.42696696593790695,0.3934959906791858,0.23879017887739018
EOS-2-35116,N#Cc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cn1,KPZUWPDPPPCCMZ-UHFFFAOYSA-N,2,1,0.53,35,56,420.436,3.136,5,0.411,0.77,1.0,0.8188352409019258,0.7877373038174217,0.44536872044410936,0.412420327599205,0.6160903981906655
EOS-2-35117,C#Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccn2)cn1,RXJLWFSQHPPSPS-UHFFFAOYSA-N,2,1,0.581,75,454,420.436,2.641,5,0.386,0.66,1.0,0.5740182304160099,0.4934291686656158,0.2682732506339524,0.20924713864711122,0.38624194709067233
EOS-2-35118,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)cn5)n34)cn2)cn1,WZONULJIZBWLLP-UHFFFAOYSA-N,2,1,0.304,70,392,420.436,3.909,6,0.426,0.71,1.0,0.08019498320882736,0.05746693167020766,0.45266774038791036,0.41547015283393873,0.251449952025221
EOS-2-35119,Cn1nc(-c2cccnn2)cc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,RDGQXURZMJBCCN-UHFFFAOYSA-N,2,1,0.293,38,270,420.436,3.909,6,0.426,0.72,1.0,0.038516893975738466,0.03274278664930436,0.35697519018573093,0.3838582002604345,0.20302326776780205
EOS-2-35120,OCn1cc(-c2ccc(-c3nnc4cncc(-c5cnc6ccccc6c5)n34)cc2)nn1,LMPJIFRKRKEESB-UHFFFAOYSA-N,2,1,0.29,9,764,420.436,3.215,6,0.467,0.77,1.0,0.09884517853471318,0.15828250291275445,0.43824103899664174,0.49027654033308204,0.29641131519429786
EOS-2-35121,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4noc(-c5ccccc5)n4)n23)cc1,HJMDBVJYGKEQNB-UHFFFAOYSA-N,2,1,0.388,9,553,420.436,3.909,6,0.426,0.79,1.0,0.13095401274758411,0.09282263038859571,0.23239496950174765,0.2590723733808512,0.17881099650469467
EOS-2-35122,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccoc5)nc4)n23)cc1,MWYZSVSLMAGZNM-UHFFFAOYSA-N,2,1,0.314,42,106,420.436,3.909,6,0.426,0.65,1.0,0.16633541224042217,0.06134774861215818,0.44881262422040985,0.40564389006922075,0.27053491878555275
EOS-2-35123,Cn1cc(-c2nnc3cncc(-c4cccc(-c5nnco5)c4)n23)c(-c2ccccc2)n1,SLGSEKAREMQWLE-UHFFFAOYSA-N,2,1,0.319,30,598,420.436,3.909,6,0.426,0.74,1.0,0.06995750805290933,0.04985950243300665,0.3161109588102255,0.3581402919607978,0.1985170653142348
EOS-2-35124,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cn4)n23)nc1,AJTDOMHMUXQSTQ-UHFFFAOYSA-N,2,1,0.29,70,687,420.436,3.909,6,0.426,0.72,1.0,0.053671783976423824,0.026994380097320265,0.40152319923240354,0.3745288191350833,0.21417954561030772
EOS-2-35125,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,HPNGPZNVBCMNJS-UHFFFAOYSA-N,2,1,0.277,42,174,420.436,3.909,6,0.426,0.76,1.0,0.1554982523473374,0.03878246864505517,0.41197484750873825,0.3935045576040025,0.24994003152628333
EOS-2-35126,Cn1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)n1,GLSJHTZOOJCTJH-UHFFFAOYSA-N,2,1,0.293,42,725,420.436,3.909,6,0.426,0.8,1.0,0.08674011376876156,0.042526214789939,0.3720187101637996,0.36168699883489824,0.2157430093893496
EOS-2-35127,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)c1,XHYLVRLXYOYCMR-UHFFFAOYSA-N,2,1,0.329,9,642,420.436,3.909,6,0.426,0.66,1.0,0.1279555890617504,0.049868069357823314,0.42347166061270647,0.4314131999177575,0.2581771297375094
EOS-2-35128,Cn1cc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(-c2ccccn2)n1,DDTYKVBFEQJAMA-UHFFFAOYSA-N,2,1,0.287,42,174,420.436,3.909,6,0.426,0.82,1.0,0.06591391953944212,0.04253478171475567,0.3346497841134946,0.35478205743266394,0.1994701357000891
EOS-2-35129,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cn5)n34)cc2)cn1,GHITUFJKWJQWGU-UHFFFAOYSA-N,2,1,0.306,38,714,420.436,3.909,6,0.426,0.76,1.0,0.14695702830511959,0.09908505242957988,0.4768093345212802,0.4185885134672058,0.2853599821807964
EOS-2-35130,Cn1c(-c2cnco2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,BTBDOWMNTXORFD-UHFFFAOYSA-N,2,1,0.373,93,774,420.436,3.909,6,0.426,0.82,1.0,0.1609468165307381,0.09909361935439655,0.19367246933040916,0.31061956000274143,0.1910831163045713
EOS-2-35131,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)nc1,MGKOJWOOITVHKY-UHFFFAOYSA-N,2,1,0.306,38,787,420.436,3.909,6,0.426,0.7,1.0,0.09412480296072921,0.05747549859502433,0.43824960592145845,0.3809026111986841,0.24268812966897402
EOS-2-35132,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c1,CVZOEYDDDLYMHX-UHFFFAOYSA-N,2,1,0.578,58,56,420.436,3.136,5,0.411,0.74,1.0,0.9001267904872867,0.811947433349325,0.5757316153793435,0.5230707285312864,0.7027191419368104
EOS-2-35133,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cn2)cn1,JETZIPGOXYQEJV-UHFFFAOYSA-N,2,1,0.306,38,57,420.436,3.909,6,0.426,0.71,1.0,0.09654067575902954,0.07282742786649304,0.5254951682544033,0.4691590706599959,0.29100558563498047
EOS-2-35134,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(C#N)nn5)n4)n23)cc1,QWQWZILRJOGRAK-UHFFFAOYSA-N,2,1,0.506,81,268,420.436,3.402,5,0.425,0.64,0.999,0.6572459050099376,0.6733003221163731,0.4594441779178946,0.39959564114865326,0.5473965115482147
EOS-2-35135,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)cn5)n34)cc2)cn1,RQKFLJCDUAOFPS-UHFFFAOYSA-N,2,1,0.53,56,744,420.436,3.402,5,0.425,0.76,1.0,0.5997275717908299,0.6438815022959359,0.6163816736344322,0.5134329381125351,0.5933559214584333
EOS-2-35136,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)c2)nn1,FSJLCWWRUXTWQY-UHFFFAOYSA-N,2,1,0.286,70,179,420.436,3.909,6,0.426,0.76,1.0,0.0257607429237201,0.010854293742718114,0.3944040847097526,0.4091306284696046,0.21003743746144884
EOS-2-35137,Cn1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(-c2ccccc2)n1,OLRYZCYRSSJINL-UHFFFAOYSA-N,2,1,0.329,9,598,420.436,3.909,6,0.426,0.77,1.0,0.07195360153519292,0.04987663628263998,0.33075183332191077,0.3648567610170653,0.20435970803920225
EOS-2-35138,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1,YHCJPICQEXKHST-UHFFFAOYSA-N,2,1,0.64,65,56,420.436,3.136,5,0.411,0.78,1.0,0.8969827290795696,0.8637773284901652,0.5787043382907272,0.5199009663491193,0.7148413405523952
EOS-2-35139,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)o1,YYYAKUOMGGPTDU-UHFFFAOYSA-N,2,1,0.273,30,195,420.436,4.002,6,0.425,0.74,0.998,0.015883078610102117,0.027002947022136934,0.3758738263313001,0.3485025015420465,0.1918155883763964
EOS-2-35140,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(C#N)c5)n34)cn2)cn1,GMFTZNWBQDTEOO-UHFFFAOYSA-N,2,1,0.477,55,283,420.436,3.402,5,0.425,0.76,1.0,0.6968679322870263,0.62466588993215,0.5757401823041601,0.49325783016928243,0.5976329586731547
EOS-2-35141,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)n1,CFONVQCHZBYBTP-UHFFFAOYSA-N,2,1,0.319,9,98,420.436,4.207,6,0.455,0.68,1.0,0.20537488862997738,0.20067164690562675,0.4304879720375574,0.41242889452402165,0.3122408505242958
EOS-2-35142,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)n[nH]1,XYQUVDUDROXLLG-UHFFFAOYSA-N,2,1,0.306,9,894,420.436,4.207,6,0.455,0.69,1.0,0.1915907065999589,0.19591700363237613,0.5153776300459187,0.4781543417174971,0.3452599204989377
EOS-2-35143,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)n1,MKXYNQJPCWJRJX-UHFFFAOYSA-N,2,1,0.307,38,193,420.436,3.909,6,0.426,0.77,1.0,0.10646117469673086,0.03275135357412103,0.2870605167569049,0.32598862312384347,0.18806541703790008
EOS-2-35144,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)nc2)n[nH]1,YZEIBKOELQNYGJ-UHFFFAOYSA-N,2,1,0.293,38,818,420.436,4.207,6,0.455,0.67,0.983,0.1715955040778562,0.1465543828387362,0.497498457953533,0.4598125556850113,0.3188652251387842
EOS-2-35145,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c1-c1ccccc1,UJTLJWYEASUFPQ-UHFFFAOYSA-N,2,1,0.348,9,598,420.436,3.909,6,0.426,0.68,1.0,0.10646974162154753,0.057484065519841,0.3380165855664451,0.3809111781235008,0.2207203927078336
EOS-2-35146,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cn5)n34)cc2)n[nH]1,RLOSZYQLVJRZRO-UHFFFAOYSA-N,2,1,0.297,38,787,420.436,4.207,6,0.455,0.58,1.0,0.18316085258035775,0.19127373038174217,0.43444589130285793,0.39063463779041874,0.2998787780138441
EOS-2-35147,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)cn1,YIRIRNZSTMEMNG-UHFFFAOYSA-N,2,1,0.314,9,894,420.436,3.909,6,0.426,0.73,1.0,0.1414741964224522,0.09283119731341238,0.5590261119868412,0.5064594613117676,0.3249477417586183
EOS-2-35148,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5sncc5F)n34)c2)cn1,NMOOGPUVTRMQAY-UHFFFAOYSA-N,2,1,0.4,51,113,420.433,3.126,5,0.427,0.67,1.0,0.5341306284696046,0.46670893016242887,0.23968542252073197,0.21799396888492906,0.3646297375094236
EOS-2-35149,Cc1nc(-c2cnc(F)cn2)cc(-c2nnc3cncc(OCc4ccsc4)n23)n1,QAQIHZNLGRCEQB-UHFFFAOYSA-N,2,1,0.398,7,330,420.433,3.126,5,0.427,0.64,1.0,0.6056473168391474,0.4710437941196628,0.20416695223082723,0.1921389897882256,0.3682492632444657
EOS-2-35150,Cc1nc(COc2cncc3nnc(-c4cc(-c5cncc(F)c5)ncn4)n23)cs1,HRGKEOSVIDHPIQ-UHFFFAOYSA-N,2,1,0.44,46,238,420.433,3.126,5,0.427,0.73,0.96,0.4312075937221575,0.40865088067987115,0.22495031183606332,0.21800253580974574,0.3207028305119594
EOS-2-35151,COc1cnc(-c2cncc3nnc(-c4ccc(-c5nnc(C)s5)c(F)c4)n23)nc1,WPUCDGTUCYRHQQ-UHFFFAOYSA-N,2,1,0.358,50,261,420.433,3.223,5,0.437,0.74,1.0,0.3845435542457679,0.4490439311904599,0.17413988074840656,0.16730347474470564,0.293757710232335
EOS-2-35152,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)nc2F)nn1,SHPJFWRUGWTHFK-UHFFFAOYSA-N,2,1,0.444,53,237,420.433,3.126,5,0.4,0.6,1.0,0.5159002124597355,0.4887173600164485,0.22163491193201287,0.20035467068741006,0.3566517887739017
EOS-2-35153,Cc1nsc(COc2cncc3nnc(-c4cc(-c5cccnc5F)ccn4)n23)n1,SKJZDTQUYVZWLH-UHFFFAOYSA-N,2,1,0.409,7,160,420.433,3.126,5,0.4,0.62,1.0,0.42430265231992326,0.4269755328627236,0.13661675005140156,0.1594647385374546,0.28683991844287576
EOS-2-35154,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5csc(F)n5)n34)ccn2)cn1,NSVMSBUWJHUTBM-UHFFFAOYSA-N,2,1,0.518,7,441,420.433,3.126,5,0.427,0.67,1.0,0.5366835720649715,0.5344990062367213,0.2610513330135015,0.19740764855047632,0.3824103899664177
EOS-2-35155,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cscc5F)n34)ncn2)cn1,BIBUXDNRURYIAM-UHFFFAOYSA-N,2,1,0.398,7,296,420.433,3.126,5,0.427,0.59,0.866,0.6307312727023507,0.507299019943801,0.29780344047700635,0.2623620725104516,0.4245489514084025
EOS-2-35156,Fc1nc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1cncnn1,VGVTWFRMBUOKRQ-UHFFFAOYSA-N,2,1,0.429,31,773,420.433,2.86,5,0.386,0.57,1.0,0.6699677883626893,0.5768538825303269,0.26446096909053524,0.2770971831951203,0.44709495579466796
EOS-2-35157,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)n1,WNWQMRNJRVWIIN-UHFFFAOYSA-N,2,1,0.479,58,954,420.433,2.86,5,0.386,0.7,0.999,0.4809471592077308,0.587245562332945,0.21133746830237818,0.2326519772462477,0.3780455417723254
EOS-2-35158,Fc1cnc(-c2ccncc2-c2nnc3cncc(OCCc4nccs4)n23)nc1,SVUXQBRCMQJPCN-UHFFFAOYSA-N,2,1,0.598,65,262,420.433,2.86,5,0.413,0.55,1.0,0.6968764992118429,0.5872541292577617,0.1165615790555822,0.14169693646768555,0.3855972859982181
EOS-2-35159,Fc1nc(-c2nnc3cncc(OCCc4cncs4)n23)ccc1-c1ncccn1,UPSPZRCECSBVPV-UHFFFAOYSA-N,2,1,0.443,18,262,420.433,2.86,5,0.386,0.65,1.0,0.669976355287506,0.6107789048043314,0.12753580974573367,0.13932389829346858,0.38690374203275996
EOS-2-35160,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cn2)cc1F,UXOXQNDNBQFHJH-UHFFFAOYSA-N,2,1,0.477,55,283,420.433,3.126,5,0.427,0.67,1.0,0.5852923034747447,0.6059128915084642,0.23590740867658144,0.2180111027345624,0.41128092659858817
EOS-2-35161,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cn5)n34)cc2)on1,QBPVPDWBLGNVAU-UHFFFAOYSA-N,2,1,0.316,41,818,420.432,5.077,6,0.392,0.79,1.0,0.16357686244945516,0.13928106366938522,0.640163456925502,0.6030087039956137,0.38650752175998904
EOS-2-35162,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)on1,NKHZEFAJEOCDOQ-UHFFFAOYSA-N,2,1,0.314,38,818,420.432,5.077,6,0.392,0.8,1.0,0.09654924268384621,0.10233191693509698,0.610299157014598,0.569477760263176,0.3446645192241793
EOS-2-35163,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(O)cc5)nc4)n23)cc1,BCTOBBFIOLDLAU-UHFFFAOYSA-N,2,1,0.483,1,230,420.432,4.01,5,0.457,0.76,1.0,0.7152439860187787,0.6685285449934891,0.8476201082859297,0.8007932972380234,0.7580464841340553
EOS-2-35164,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cc2)no1,OYRSDOCJTYHYGR-UHFFFAOYSA-N,2,1,0.337,69,898,420.432,5.077,6,0.392,0.8,1.0,0.23289185114111438,0.14656294976355289,0.5457302446713728,0.5336166129806045,0.36470041463916114
EOS-2-35165,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(O)nc5)cc4)n23)cc1,SDSGKJQFCMENHB-UHFFFAOYSA-N,2,1,0.549,1,230,420.432,4.01,5,0.457,0.71,1.0,0.8768161880611336,0.7578216023576178,0.87564251936125,0.8179100130217257,0.8320475807004318
EOS-2-35166,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccnn6C)c5)n34)cc2)cs1,KMQUXROTFQZOEG-UHFFFAOYSA-N,2,1,0.517,77,323,479.569,5.203,6,0.326,0.62,1.0,0.4061407717085875,0.28695771365910494,0.5590346789116579,0.45027756836406,0.4256026831608526
EOS-2-35167,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnn(C)c6)c5)n34)cc2)cs1,KPDFDVZLXXXIGX-UHFFFAOYSA-N,2,1,0.511,77,190,479.569,5.203,6,0.326,0.72,1.0,0.4382067712973751,0.33163422657802755,0.6043794119662805,0.4902851072578987,0.4661263792748954
EOS-2-35168,Cn1nncc1CCOc1cncc2nnc(-c3ccc(F)c(-c4ncnn4C)c3)n12,VYFXTXFRQKUBFL-UHFFFAOYSA-N,2,1,0.506,36,460,420.412,1.476,5,0.406,0.68,1.0,0.5059454458227675,0.5919145363580289,0.062067370296758274,0.07311870331025976,0.3082615139469536
EOS-2-35169,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5nnnn5C)c(F)c4)n23)cn1,ANCBRKIKDGXXTL-UHFFFAOYSA-N,2,1,0.571,36,847,420.412,1.476,5,0.406,0.72,1.0,0.5628383935302583,0.6343722157494346,0.09779144678226304,0.10558734836543074,0.35014735110684675
EOS-2-35170,Cc1nn(C)nc1COc1cncc2nnc(-c3ccc(-c4cncn4C)c(F)n3)n12,BZRSOPNNIOBQOY-UHFFFAOYSA-N,2,1,0.368,31,105,420.412,1.742,5,0.395,0.61,0.185,0.2923891439928723,0.32251045164827635,0.04076142827770544,0.03179185799465424,0.1718632204783771
EOS-2-35171,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5nnnn5C)n34)ccc2F)cn1,BXVDUFRMWPMGIZ-UHFFFAOYSA-N,2,1,0.518,36,847,420.412,1.476,5,0.406,0.77,1.0,0.48598451099993145,0.5669419505174422,0.062075937221574944,0.09141765471866219,0.3016050133644027
EOS-2-35172,Fc1ccc2nncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)c2c1,JWOBVGINFOPIPW-UHFFFAOYSA-N,2,1,0.291,10,957,420.411,3.998,6,0.427,0.71,1.0,0.22465046946747996,0.322519018573093,0.6793742718113905,0.7478754026454664,0.49360479062435747
EOS-2-35173,CCn1nc(-c2nnc(C)o2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,QLKOTJPJCFYASY-UHFFFAOYSA-N,2,1,0.549,36,226,420.408,3.084,5,0.412,0.77,1.0,0.5183760537317524,0.5624443149886916,0.07878144061407717,0.09522993626207936,0.3137079363991502
EOS-2-35174,Cc1coc(CCOc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4F)n23)n1,QPOYBQIYDXSOBY-UHFFFAOYSA-N,2,1,0.5,37,475,420.408,2.644,5,0.412,0.67,1.0,0.47371667466246314,0.4536186690425605,0.1741484476732232,0.15684325954355424,0.31458176273045024
EOS-2-35175,c1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nc[nH]n6)cn5)n34)cn2)cn1,NOIGZKPRJAVFRE-UHFFFAOYSA-N,2,1,0.264,86,165,420.4,1.885,6,0.448,0.58,1.0,0.09885374545952985,0.1582910698375711,0.11068466863134808,0.11945719964361592,0.12182167089301624
EOS-2-35176,c1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)nn1,MORHYGRWNDAGTK-UHFFFAOYSA-N,2,1,0.315,42,167,420.396,2.755,6,0.419,0.67,1.0,0.1387841820300185,0.10234048385991365,0.26105989993831813,0.27710575011993693,0.1948225789870468
EOS-2-35177,c1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6conn6)cc5)n34)cn2)cn1,JLBDBJASIZJMRS-UHFFFAOYSA-N,2,1,0.301,94,167,420.396,2.755,6,0.419,0.62,1.0,0.11140429031594819,0.09607806181892947,0.2940511274073059,0.2947878829415393,0.19908034062093072
EOS-2-35178,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)o2)nc1,AWQOUXWAFGNBKC-UHFFFAOYSA-N,2,1,0.314,70,944,420.396,2.755,6,0.419,0.7,0.995,0.10407100267288054,0.11513090261119868,0.09071516688369542,0.110042149270098,0.10498980535946817
EOS-2-35179,c1cnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cnccn6)o5)n34)cc2)nc1,WNHRAEFJYACTQV-UHFFFAOYSA-N,2,1,0.343,38,608,420.396,2.755,6,0.419,0.69,1.0,0.1363597423069015,0.12159036392296621,0.10018161880611336,0.1194657665684326,0.11939937290110342
EOS-2-35180,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)nc2)cn1,VGZLLHQCEATVRG-UHFFFAOYSA-N,2,1,0.268,70,421,420.396,2.755,6,0.419,0.68,1.0,0.11965423891439929,0.09608662874374614,0.19018573093002536,0.19464053183469263,0.15014178260571587
EOS-2-35181,COc1cc(-c2nnc3cncc(OCc4noc(C)n4)n23)ccc1-c1nnnn1C,NFFXOUNYRXJUGX-UHFFFAOYSA-N,2,1,0.463,36,728,420.393,1.261,5,0.391,0.76,1.0,0.2385288876704818,0.16594990062367213,0.01267048180385169,0.004506202453567268,0.10541386813789322
EOS-2-35182,CCn1cc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(OC)n4)n23)nn1,KVFJDSJOUVJZBA-UHFFFAOYSA-N,2,1,0.427,92,105,420.393,1.435,5,0.377,0.57,1.0,0.09413336988554588,0.08665444452059488,0.0077873346583510385,0.0023216366253169763,0.0477241964224522
EOS-2-35183,COc1cc(-c2nnc3cncc(OCc4nnnn4C)n23)ccc1-c1nc(C)no1,BMWDVTBMFHPRGF-UHFFFAOYSA-N,2,1,0.412,36,638,420.393,1.261,5,0.391,0.73,1.0,0.2978719758755397,0.20068021383044343,0.011702419299568226,0.00394935234048386,0.12855099033650882
EOS-2-35184,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5n[nH]c(C)n5)cn4)n23)c(C(F)F)n1,FVHDFZDOMZCUOM-UHFFFAOYSA-N,2,1,0.292,50,489,420.387,2.983,5,0.471,0.67,0.942,0.24370331025974917,0.28157768487423757,0.22164347885682956,0.1647076965252553,0.2279080426290179
EOS-2-35185,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,HBOKQHQTOFXERS-UHFFFAOYSA-N,2,1,0.494,61,917,420.383,3.25,5,0.431,0.79,1.0,0.3159567541635255,0.39931293262970324,0.6656329244054554,0.6765471866218902,0.5143624494551435
EOS-2-35186,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)c1,GUTLRGCDBIJWDE-UHFFFAOYSA-N,2,1,0.455,55,823,420.383,2.839,5,0.431,0.58,1.0,0.7947364813926393,0.6203909944486328,0.6462374066205195,0.5789613460352272,0.6600815571242548
EOS-2-35187,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4ccnc(F)c4F)n23)c1,MOQRMZOLSBKIRB-UHFFFAOYSA-N,2,1,0.478,16,79,420.383,2.839,5,0.404,0.57,0.996,0.5110170653142349,0.4135340278253718,0.6490302241107532,0.5973202659173463,0.5427253957919265
EOS-2-35188,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,ZYCDPMDAHNDGLV-UHFFFAOYSA-N,2,1,0.411,27,412,420.383,3.712,5,0.428,0.7,1.0,0.6222928517579329,0.5579209786854911,0.6462459735453362,0.49955451990953326,0.5815035809745734
EOS-2-35189,Cn1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)cc1-c1cccnc1,QSRMWUJKNVLLSY-UHFFFAOYSA-N,2,1,0.483,95,694,420.383,2.839,5,0.431,0.65,1.0,0.3207370982112261,0.30218970598314027,0.5289390720307039,0.5134415050373518,0.4163268453156055
EOS-2-35190,Cn1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)n5)cc4)n23)nn1,HQSYLNOAIJIUOA-UHFFFAOYSA-N,2,1,0.526,4,22,420.383,2.839,5,0.404,0.65,1.0,0.47608971283668017,0.5115139469536015,0.5190100061681858,0.5032382975807004,0.502462990884792
EOS-2-35191,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)n1,GWFFGYANDYUEFZ-UHFFFAOYSA-N,2,1,0.506,61,917,420.383,3.25,5,0.431,0.78,1.0,0.3798574463710506,0.4086594476046878,0.6682629703241725,0.6561150709341375,0.5282237338085121
EOS-2-35192,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1,RKOIJYPDOBEGMO-UHFFFAOYSA-N,2,1,0.582,43,402,420.383,2.839,5,0.431,0.75,1.0,0.7805325200466041,0.6685371119183058,0.597817147556713,0.6127835652114317,0.6649175861832637
EOS-2-35193,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1,NNXWCNQNDHUVMB-UHFFFAOYSA-N,2,1,0.64,43,402,420.383,2.839,5,0.431,0.78,1.0,0.8136522513878418,0.7260725789870468,0.6103077239394147,0.6299602494688507,0.6949982009457885
EOS-2-35194,Cn1ncc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1-c1cccnn1,LWUMWVMDCMEOTK-UHFFFAOYSA-N,2,1,0.474,61,121,420.383,3.25,5,0.431,0.68,1.0,0.292397710917689,0.3658505242957988,0.6656414913302721,0.647590980741553,0.49287017682132817
EOS-2-35195,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cn1,DVTCPIACRUUBAR-UHFFFAOYSA-N,2,1,0.512,27,69,420.383,3.284,5,0.416,0.68,1.0,0.34535844013432937,0.3756253855116167,0.6793828387362073,0.5596257967240079,0.4899981152765403
EOS-2-35196,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(OC(F)F)nc5)n34)c2)nn1,VYIWKXBBZVFDAV-UHFFFAOYSA-N,2,1,0.357,61,121,420.383,3.25,5,0.431,0.75,1.0,0.24665889932149956,0.3466263450071962,0.7034216297717771,0.6505294359536701,0.48680907751353575
EOS-2-35197,Cn1nc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cc1-c1ccc(F)nc1,WQMYOOJWFYRHJD-UHFFFAOYSA-N,2,1,0.473,95,694,420.383,2.839,5,0.404,0.7,0.996,0.3134980467411418,0.3270509218011103,0.5153861969707354,0.5096634911932013,0.41639966417654717
EOS-2-35198,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)nn1,BCPZTPATOHWMSX-UHFFFAOYSA-N,2,1,0.424,46,910,420.383,2.839,5,0.431,0.66,1.0,0.40614933863340413,0.30736412857240764,0.6278784867384004,0.6063155369748475,0.486926872729765
EOS-2-35199,Cn1cnc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)n1,NNFVWAKVQXEBFX-UHFFFAOYSA-N,2,1,0.411,46,503,420.383,2.839,5,0.431,0.66,1.0,0.40181447467617026,0.38967514221095195,0.4975070248783497,0.519909533273936,0.45222654375985194
EOS-2-35200,FC(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nc[nH]n5)c4)n23)cn1,WIDGDWOQPURXCZ-UHFFFAOYSA-N,2,1,0.494,27,69,420.383,3.488,5,0.448,0.72,1.0,0.7365927626619149,0.6203995613734494,0.7446199712151326,0.6389726543759852,0.6851462374066205
EOS-2-35201,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)cn1,DVNOXKWEMQNPTF-UHFFFAOYSA-N,2,1,0.529,16,10,420.383,2.933,5,0.431,0.69,1.0,0.3284301966965938,0.4361764101158248,0.5044976355287506,0.509672058118018,0.44469407511479686
EOS-2-35202,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ncn1,WPJOFLUUTYAZER-UHFFFAOYSA-N,2,1,0.556,46,488,420.383,2.839,5,0.431,0.63,0.901,0.639520937564252,0.39438695086011927,0.5690579809471592,0.5466383387019396,0.5374010520183675
EOS-2-35203,Cc1c[nH]c(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ncn2)n1,QNHKYUNIXIWHFA-UHFFFAOYSA-N,2,1,0.406,44,488,420.383,3.137,5,0.465,0.58,0.01,0.6279984236858337,0.4579449660749777,0.5978257144815297,0.5662651634569255,0.5625085669248167
EOS-2-35204,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)n1,UTJSKCAFDZLHRZ-UHFFFAOYSA-N,2,1,0.521,61,121,420.383,3.25,5,0.431,0.73,1.0,0.32074566513604275,0.40409327667740386,0.679391405661024,0.6362398053594681,0.5101175382084847
EOS-2-35205,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)cn1,JLZDJRWPJOGONO-UHFFFAOYSA-N,2,1,0.489,73,930,420.383,2.839,5,0.431,0.59,1.0,0.5912805839215955,0.5579295456103077,0.5289476389555205,0.4752244534301967,0.5383455554794051
EOS-2-35206,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)ncn2)cn1,QHYNILMTVQQJGO-UHFFFAOYSA-N,2,1,0.489,13,971,420.383,3.535,5,0.429,0.71,1.0,0.41509320814200534,0.3514152559797135,0.585052429579878,0.5596343636488246,0.47779881433760535
EOS-2-35207,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1F,UXSCGJFMXJBCOT-UHFFFAOYSA-N,2,1,0.541,4,79,420.383,2.839,5,0.431,0.72,1.0,0.4859930779247481,0.5624528819135083,0.6131005414296484,0.6063241038996642,0.5669676512918923
EOS-2-35208,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2)cn1,HOXAVKNYYPUKIR-UHFFFAOYSA-N,2,1,0.404,54,251,420.383,3.535,5,0.429,0.66,1.0,0.36357172229456514,0.4225721335069563,0.5082670824480844,0.5134500719621684,0.45196525255294356
EOS-2-35209,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)c(F)c4)cc3)n12,YYFKLMXFFMXAQL-UHFFFAOYSA-N,2,1,0.544,43,402,420.383,2.839,5,0.431,0.67,1.0,0.7092557055719279,0.7402422726338154,0.47015283393872936,0.5725789870468097,0.6230574497978205
EOS-2-35210,COc1cc(F)ccc1-c1nnc2cncc(-c3cnc(-c4cn(C)nn4)cc3F)n12,FQCKDFQZNMCXCI-UHFFFAOYSA-N,2,1,0.36,22,985,420.383,2.936,5,0.441,0.67,1.0,0.2025820711397437,0.35142382290453017,0.5818141319991775,0.5530892330888905,0.4222273147830854
EOS-2-35211,Cn1ncnc1COc1cncc2nnc(-c3cc(-c4ccc(F)c(F)c4)ccn3)n12,VGZIIBYPQZQXTN-UHFFFAOYSA-N,2,1,0.411,46,503,420.383,2.839,5,0.431,0.68,1.0,0.4243112192447399,0.42258070043177304,0.48051024604208076,0.5166798026180522,0.4610204920841615
EOS-2-35212,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccncc4F)n23)cc1F,NWAFCXYFUWUEJQ-UHFFFAOYSA-N,2,1,0.524,16,79,420.383,2.839,5,0.431,0.67,1.0,0.6138801315879652,0.5161829209786855,0.6846686313480913,0.6619834144335549,0.6191787745870742
EOS-2-35213,Cc1ccc(F)cc1-c1nnc2cncc(Oc3cnc(-c4nncn4C)cc3F)n12,VNGNCLYCKKWRMM-UHFFFAOYSA-N,2,1,0.398,36,252,420.383,3.361,5,0.44,0.62,0.998,0.4834230004797478,0.5209546981015695,0.5117795216229183,0.5032468645055171,0.5048510211774382
EOS-2-35214,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cn2)n1,ZSHZJAYPMMUYRZ-UHFFFAOYSA-N,2,1,0.461,55,526,420.383,2.839,5,0.431,0.62,1.0,0.5366921389897882,0.5026985813172503,0.5082756493729012,0.4659807415530121,0.5034117778082379
EOS-2-35215,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)c2)cn1,JYICAVMLKXGOPU-UHFFFAOYSA-N,2,1,0.483,2,36,420.383,2.839,5,0.431,0.69,1.0,0.4356538277020081,0.38475772736618463,0.6401720238503187,0.5881193886642451,0.5121757418956892
EOS-2-35216,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)cn1,GNTUBSLFTBZGAE-UHFFFAOYSA-N,2,1,0.518,55,109,420.383,2.839,5,0.431,0.67,1.0,0.5315605510246042,0.5254951682544033,0.6192772942224659,0.6127921321362484,0.5722812864094304
EOS-2-35217,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cn1,RVZALSCDDKKJMP-UHFFFAOYSA-N,2,1,0.462,55,283,420.383,2.839,5,0.404,0.68,1.0,0.7000548283188267,0.5161914879035021,0.6462545404701528,0.5596429305736413,0.6055359468165308
EOS-2-35218,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)ncn2)cn1,JBEVIWRETDOJAM-UHFFFAOYSA-N,2,1,0.429,46,488,420.383,2.839,5,0.431,0.69,0.988,0.4589901309026112,0.3563241038996642,0.6767613597423069,0.6362483722842849,0.5320809917072168
EOS-2-35219,FC(F)n1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,AAFCCXWGVBQXDL-UHFFFAOYSA-N,2,1,0.448,27,700,420.383,3.419,5,0.415,0.6,1.0,0.3889640874511685,0.43618497704064146,0.4734853676924131,0.4438523747515592,0.4356217017339456
EOS-2-35220,Cn1nc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1-c1cnccn1,YRMOGYPGSULERV-UHFFFAOYSA-N,2,1,0.443,95,998,420.383,2.839,5,0.431,0.62,1.0,0.43566239462682477,0.3466349119320129,0.5457388115961894,0.559651497498458,0.4719219039133713
EOS-2-35221,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1F,CYYRKBZSCCDCIV-UHFFFAOYSA-N,2,1,0.548,16,79,420.383,2.839,5,0.431,0.65,1.0,0.6307398396271674,0.5529607292166404,0.6630285792611884,0.6505380028784867,0.6243167877458707
EOS-2-35222,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1F,VBCJOVIKHHARSF-UHFFFAOYSA-N,2,1,0.566,16,79,420.383,2.839,5,0.404,0.67,1.0,0.6223014186827497,0.5579381125351244,0.6682715372489891,0.6362569392091015,0.6211920019189912
EOS-2-35223,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)n1,CNKICLDIJNCTBQ-UHFFFAOYSA-N,2,1,0.561,43,258,420.383,2.839,5,0.431,0.72,1.0,0.6667466246316223,0.707730792954561,0.5457473785210061,0.5694863271879926,0.6224277808237955
EOS-2-35224,Cn1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncc(F)c5)n4)n23)n1,RNEXJBZFSUIOMJ-UHFFFAOYSA-N,2,1,0.435,46,128,420.383,2.839,5,0.431,0.67,0.997,0.31350661366595844,0.21005242957987802,0.4734939346172298,0.4629394832430951,0.36499811527654036
EOS-2-35225,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cncn5)cn4)n23)cc1,KWYKUIIAZJWPAB-UHFFFAOYSA-N,2,1,0.54,27,51,420.383,3.284,5,0.416,0.73,1.0,0.46115756288122817,0.3896837091357686,0.7922520731958056,0.704792337742444,0.5869714207388116
EOS-2-35226,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4)n23)nc1F,WVVGPLFSYBCKLK-UHFFFAOYSA-N,2,1,0.415,46,62,420.383,2.839,5,0.404,0.64,1.0,0.6512404907134535,0.4579535329997944,0.5914433554931122,0.5436227811664724,0.5610650400932081
EOS-2-35227,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2)n1,XOQMYNXZLGIHJX-UHFFFAOYSA-N,2,1,0.5,47,22,420.383,3.137,5,0.465,0.61,1.0,0.7337314097731479,0.6343807826742512,0.6103162908642313,0.5530978000137071,0.6328815708313343
EOS-2-35228,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)n4)n23)nc1F,CJFFPCFMUCTLOB-UHFFFAOYSA-N,2,1,0.419,46,122,420.383,2.839,5,0.404,0.68,1.0,0.5315691179494209,0.47997909670344735,0.39816496470426976,0.37453738605989995,0.4460626413542595
EOS-2-35229,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,VVYUJUJKGOIWTR-UHFFFAOYSA-N,2,1,0.521,61,917,420.383,3.25,5,0.431,0.82,1.0,0.37285826879583306,0.44905249811527653,0.6821756562264409,0.682612569392091,0.5466747481324103
EOS-2-35230,Cn1cc(-c2cnc(COc3cncc4nnc(-c5cc(F)cc(F)c5)n34)cn2)cn1,VYUZJFHHFJQHIJ-UHFFFAOYSA-N,2,1,0.628,73,399,420.383,2.839,5,0.431,0.69,1.0,0.41722637242135563,0.45362723596737714,0.6043879788910973,0.5662737303817422,0.510378829415393
EOS-2-35231,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)cc1,JIWAUEFORPZGIL-UHFFFAOYSA-N,2,1,0.543,36,734,420.383,2.839,5,0.431,0.63,1.0,0.660612706462888,0.534507573161538,0.5850609965046947,0.54992803783154,0.5825273284901652
EOS-2-35232,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2)n1,CBNSKTOOERAMNV-UHFFFAOYSA-N,2,1,0.5,27,815,420.383,3.419,5,0.415,0.66,1.0,0.4984065519840998,0.48872592694126515,0.6711071893633062,0.562975464327325,0.5553037831539991
EOS-2-35233,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)nc2)nn1,UHFWXULUYYLBHQ-UHFFFAOYSA-N,2,1,0.548,4,10,420.383,2.839,5,0.431,0.72,1.0,0.45226509492152694,0.5624614488383249,0.5945445822767459,0.5756202453567267,0.5462228428483311
EOS-2-35234,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cn2)c1,WXZJYZQGIJSYSV-UHFFFAOYSA-N,2,1,0.477,55,823,420.383,2.839,5,0.431,0.59,1.0,0.6512490576382701,0.6246744568569667,0.604396545815914,0.5367264066890549,0.6042616167500514
EOS-2-35235,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)cn2)n1,MJSFWOHTSCUCNV-UHFFFAOYSA-N,2,1,0.46,55,283,420.383,2.839,5,0.404,0.58,1.0,0.6335497909670345,0.5209632650263861,0.5622472757179083,0.48449386608183126,0.55031354944829
EOS-2-35236,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)c1,LNAQCGCXGUTJFK-UHFFFAOYSA-N,2,1,0.494,16,931,420.383,2.839,5,0.404,0.58,1.0,0.5598999383181413,0.4361935439654582,0.5457559454458227,0.5032554314303338,0.511276214789939
EOS-2-35237,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)cn1,NMYUGYOARUSHGU-UHFFFAOYSA-N,2,1,0.494,27,69,420.383,3.284,5,0.416,0.66,0.996,0.39332465218285245,0.3943955177849359,0.7369782742786649,0.6063326708244808,0.5327577787677336
EOS-2-35238,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nn2)cn1,KRJAKXRRENQRGC-UHFFFAOYSA-N,2,1,0.59,54,44,420.383,2.839,5,0.431,0.69,0.996,0.5997361387156467,0.4754471934754301,0.654555890617504,0.6270903296552669,0.589207388115962
EOS-2-35239,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,WLRCBVRESHBNAF-UHFFFAOYSA-N,2,1,0.517,84,749,420.383,2.871,5,0.45,0.61,1.0,0.8160766911109588,0.7790504420533205,0.5590432458364746,0.5662822973065589,0.6801131690768283
EOS-2-35240,Cn1nc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,KQQCXODCTJTICQ-UHFFFAOYSA-N,2,1,0.524,73,446,420.383,2.839,5,0.431,0.75,1.0,0.5059540127475841,0.6390069220752519,0.29781200740182306,0.3745459529847166,0.45432972380234393
EOS-2-35241,Cn1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)cc1-c1ccc(F)cn1,WGVDSYHVMJAHRG-UHFFFAOYSA-N,2,1,0.43,95,670,420.383,2.839,5,0.404,0.62,1.0,0.3911058186553355,0.34664347885682956,0.40515557535467067,0.4154787197587554,0.38959589815639784
EOS-2-35242,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,WQTBUAHFCGQBGG-UHFFFAOYSA-N,2,1,0.561,43,402,420.383,2.839,5,0.431,0.8,1.0,0.6335583578918511,0.7260811459118635,0.5423891439928723,0.5913319854704955,0.6233401583167706
EOS-2-35243,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1,YGIJVWXZNMSUNN-UHFFFAOYSA-N,2,1,0.608,43,402,420.383,2.839,5,0.431,0.75,1.0,0.7603574121033514,0.6977931601672264,0.5881793571379618,0.6184977040641492,0.6662069083681722
EOS-2-35244,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)nc1,QQFOQEFZPKEGKM-UHFFFAOYSA-N,2,1,0.424,46,128,420.383,2.839,5,0.431,0.65,1.0,0.5159087793845522,0.4536358028921938,0.6278870536632171,0.5629840312521417,0.5401039167980262
EOS-2-35245,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)cc2)n1,JGWNYVHPPPSNGE-UHFFFAOYSA-N,2,1,0.6,43,258,420.383,2.839,5,0.431,0.72,1.0,0.7691470769652525,0.6438900692207525,0.5945531492015627,0.597328832842163,0.6512297820574326
EOS-2-35246,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1,JXRXUWFXAFKILN-UHFFFAOYSA-N,2,1,0.6,43,402,420.383,2.839,5,0.431,0.82,1.0,0.7276488931533137,0.7448598451099994,0.5657939825920087,0.6030172709204304,0.6603299979439381
EOS-2-35247,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cc4)n23)cn1,LWQUTBKJLRLPCO-UHFFFAOYSA-N,2,1,0.489,27,69,420.383,3.284,5,0.416,0.77,1.0,0.3567096155164142,0.3365602083476115,0.7631587965184018,0.6561236378589541,0.5281380645603454
EOS-2-35248,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnccc5F)n34)cc2F)n1,DEKKGAVCBPTZSF-UHFFFAOYSA-N,2,1,0.472,36,712,420.383,2.839,5,0.431,0.64,1.0,0.5656911794942088,0.5872626961825783,0.5690665478719759,0.5499366047563566,0.5679892570762799
EOS-2-35249,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1,BQAYIUQVGCIKGP-UHFFFAOYSA-N,2,1,0.768,43,402,420.383,2.839,5,0.431,0.75,1.0,0.8340329655266946,0.7354961962853814,0.6163902405592488,0.6270988965800837,0.7032545747378521
EOS-2-35250,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)cc1,YNRIKKNCYDCGOH-UHFFFAOYSA-N,2,1,0.518,36,79,420.383,2.839,5,0.431,0.6,1.0,0.5110256322390515,0.462476869302995,0.6401805907751353,0.60019018573093,0.553468319512028
EOS-2-35251,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)n2)cn1,XDJVWWRAHCGCGA-UHFFFAOYSA-N,2,1,0.5,73,446,420.383,2.839,5,0.431,0.75,1.0,0.5133558357891851,0.6246830237817833,0.532160235761771,0.5096806250428346,0.5449699300938935
EOS-2-35252,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nn2)cn1,AWENYABOEMRALJ-UHFFFAOYSA-N,2,1,0.517,4,391,420.383,2.933,5,0.431,0.66,1.0,0.447364813926393,0.5162000548283189,0.5787129052155439,0.5367349736138716,0.5197531868960319
EOS-2-35253,Cn1ncnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)c(F)c4)nc3)n12,LQUSXXQHDOZGPY-UHFFFAOYSA-N,2,1,0.46,59,391,420.383,2.839,5,0.431,0.67,1.0,0.5522239736824069,0.5624700157631417,0.48756082516619836,0.5134586388869852,0.528928363374683
EOS-2-35254,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)cn1,FXAVQRJQUQNWGC-UHFFFAOYSA-N,2,1,0.507,50,261,420.383,3.25,5,0.431,0.79,1.0,0.2895791926530053,0.3896922760605853,0.7369868412034816,0.6706360084983894,0.5217235796038654
EOS-2-35255,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1F,AEXJLVHECULVLM-UHFFFAOYSA-N,2,1,0.534,47,164,420.383,2.871,5,0.45,0.62,1.0,0.889932149955452,0.7355047632101981,0.5881879240627784,0.5596600644232747,0.6933212254129258
EOS-2-35256,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)n1,NPGPMRBVJRFZIQ-UHFFFAOYSA-N,2,1,0.529,73,212,420.383,2.839,5,0.431,0.63,1.0,0.5822510451648276,0.5768624494551435,0.5690751147967925,0.5466469056267562,0.56870887876088
EOS-2-35257,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,GNDVEYYFXLHBAD-UHFFFAOYSA-N,2,1,0.529,34,820,420.383,2.839,5,0.431,0.59,1.0,0.5292389143992873,0.6635340278253719,0.48391131519429786,0.5032639983551505,0.5449870639435269
EOS-2-35258,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)cnn1,NGIJAMAQXDPLTC-UHFFFAOYSA-N,2,1,0.512,36,659,420.383,2.839,5,0.431,0.67,1.0,0.6250171338496333,0.6880868343499418,0.5978342814063464,0.5851637996024946,0.624025512302104
EOS-2-35259,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nc2)nn1,VHIYAXJTFZCOLQ-UHFFFAOYSA-N,2,1,0.566,4,391,420.383,2.839,5,0.431,0.68,1.0,0.5034353368514838,0.5714481529710095,0.6369165924199849,0.6030258378452471,0.5787064800219313
EOS-2-35260,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cccnc5)n34)cn2)cn1,MPSJICSCCNZGMW-UHFFFAOYSA-N,2,1,0.483,55,468,420.383,3.419,5,0.415,0.65,1.0,0.4448718388047426,0.4490610650400932,0.7161006785004455,0.6063412377492975,0.5540937050236447
EOS-2-35261,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,SPOZBIDGMXXZKR-UHFFFAOYSA-N,2,1,0.404,27,412,420.383,3.712,5,0.428,0.66,1.0,0.4760982797614968,0.47105236104447945,0.7109176889863614,0.5629925981769583,0.5552652319923239
EOS-2-35262,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2)n1,KWZVAKQNTLDNBH-UHFFFAOYSA-N,2,1,0.556,36,320,420.383,2.839,5,0.431,0.63,1.0,0.5766482763347269,0.5345161400863546,0.5757487492289768,0.5134672058118018,0.5500950928654651
EOS-2-35263,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)n1,YDVXEYOOJPCPRB-UHFFFAOYSA-N,2,1,0.455,55,564,420.383,2.839,5,0.431,0.54,1.0,0.6364968131039682,0.5115225138784182,0.6250685353985334,0.5596686313480913,0.5831891234322528
EOS-2-35264,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccncc4F)n23)cc1F,SLOZSFMVRJVICN-UHFFFAOYSA-N,2,1,0.518,16,772,420.383,2.839,5,0.431,0.69,1.0,0.7834881091083544,0.6246915907066,0.62507710232335,0.6094852991570145,0.6606855253238297
EOS-2-35265,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cn1,JZSFAUKTNSROJZ-UHFFFAOYSA-N,2,1,0.494,16,45,420.383,2.839,5,0.431,0.71,1.0,0.597020423548763,0.5624785826879584,0.5491141799739565,0.5499451716811733,0.5646395894729628
EOS-2-35266,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cn1,WXSLSQIKNIMAIS-UHFFFAOYSA-N,2,1,0.641,59,294,420.383,2.839,5,0.431,0.69,1.0,0.6968850661366596,0.6204081282982661,0.5757573161537934,0.5566016722637243,0.6124130457131108
EOS-2-35267,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)c1,XMWGSQUPUZTPBS-UHFFFAOYSA-N,2,1,0.516,84,672,420.383,2.871,5,0.45,0.57,1.0,0.7427181139058323,0.7535467068741005,0.6518658762250702,0.6561322047837708,0.7010657254471935
EOS-2-35268,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4cccc(F)c4F)n23)c1,VAQSKTGSPWYBKM-UHFFFAOYSA-N,2,1,0.542,43,402,420.383,2.839,5,0.431,0.74,1.0,0.5970289904735796,0.6343893495990679,0.5491227468987732,0.5851723665273113,0.591428363374683
EOS-2-35269,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)nc2F)n1,QRAOIHGCUIRAGC-UHFFFAOYSA-N,2,1,0.413,46,62,420.383,2.839,5,0.404,0.59,1.0,0.5522325406072236,0.41354259475018845,0.5457645123706394,0.49956308683434997,0.5027756836406003
EOS-2-35270,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cn5)n34)nc2)cn1,AHVQYZRGVFISTD-UHFFFAOYSA-N,2,1,0.333,50,243,420.383,3.25,5,0.431,0.78,1.0,0.29240627784250567,0.3514323898293469,0.7471557809608663,0.6706445754232061,0.5154097560139813
EOS-2-35271,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccccc3F)n12,YSWWOUAWTQOORY-UHFFFAOYSA-N,2,1,0.536,73,82,420.383,2.839,5,0.431,0.63,1.0,0.47869405798094716,0.5714567198958262,0.33802515249126175,0.38091974504831744,0.4422739188540881
EOS-2-35272,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)n1,NUVJFCRGOBQEEA-UHFFFAOYSA-N,2,1,0.768,43,258,420.383,2.839,5,0.431,0.73,1.0,0.8506185319717634,0.7169059694332123,0.6192858611472826,0.6063498046741141,0.6982900418065932
EOS-2-35273,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cn2)cn1,FHCQBUOMJGLTOH-UHFFFAOYSA-N,2,1,0.466,55,468,420.383,2.839,5,0.404,0.69,1.0,0.5912891508464122,0.49343773559043247,0.6740113768761565,0.5851809334521281,0.5859797991912823
EOS-2-35274,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)cc1,YAFIAKLVIUGYSX-UHFFFAOYSA-N,2,1,0.73,91,6,420.383,2.871,5,0.45,0.79,1.0,0.9334863957233911,0.9284833116304572,0.6604242341169214,0.6854910561304914,0.8019712494003153
EOS-2-35275,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)cn1,RSDDYKCJZSZTQF-UHFFFAOYSA-N,2,1,0.575,47,164,420.383,2.871,5,0.421,0.56,1.0,0.9127116030429717,0.8310259749160441,0.6192944280720992,0.5973373997669796,0.7400923514495237
EOS-2-35276,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)cn1,MXRKSKJIHKMBBN-UHFFFAOYSA-N,2,1,0.456,55,823,420.383,2.839,5,0.431,0.7,1.0,0.6056558837639641,0.5027071482420671,0.5491313138235899,0.4995716537591666,0.539266499897197
EOS-2-35277,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)cn1,GXKACNBARSBUNX-UHFFFAOYSA-N,2,1,0.563,47,164,420.383,2.871,5,0.421,0.64,1.0,0.9001353574121034,0.8274878349667604,0.6131091083544651,0.5913405523953121,0.7330182132821603
EOS-2-35278,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cc1-c1cncc(F)c1,UBKMHCZQDBMOEO-UHFFFAOYSA-N,2,1,0.427,95,62,420.383,2.839,5,0.431,0.73,0.999,0.45455246384757725,0.3316427935028442,0.5525409499006236,0.5566102391885409,0.47383661160989654
EOS-2-35279,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)nc1,OETOEPXULLLFCU-UHFFFAOYSA-N,2,1,0.588,46,294,420.383,2.839,5,0.431,0.61,0.999,0.5341391953944212,0.4667174970872456,0.657622849701871,0.6299688163936673,0.5721120896443013
EOS-2-35280,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)o1,AOXDWLTXQLZDNJ-UHFFFAOYSA-N,2,1,0.429,59,160,420.379,4.007,5,0.424,0.7,1.0,0.7307843876362141,0.562487149612775,0.7901874443149887,0.7400538002878487,0.7058781954629567
EOS-2-35281,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)cc1,BZEKKIJXLNNVLE-UHFFFAOYSA-N,2,1,0.693,91,386,420.379,3.741,5,0.413,0.7,1.0,0.9541926530052772,0.9230347474470564,0.7839849907477212,0.7754609005551367,0.8591683229387979
EOS-2-35282,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)o1,UZKAYQOFXUPFDP-UHFFFAOYSA-N,2,1,0.521,9,574,420.379,4.418,5,0.416,0.8,1.0,0.7092642724967446,0.7260897128366801,0.8331591391953944,0.784815982454938,0.7633322767459393
EOS-2-35283,FC(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnoc5)c4)n23)cn1,SNAFBIHCGLMEPT-UHFFFAOYSA-N,2,1,0.523,97,988,420.379,4.358,5,0.403,0.75,1.0,0.6909910218627922,0.5529692961414571,0.8926564320471524,0.8299379754643273,0.7416386813789322
EOS-2-35284,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nc4)n23)cc1,ZKBDPDUYMQQARE-UHFFFAOYSA-N,2,1,0.597,1,805,420.379,4.358,5,0.403,0.75,1.0,0.9182458364745391,0.6343979165238846,0.8856915221712014,0.8199318072784594,0.8145667706120212
EOS-2-35285,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)cc1F,JDRDLLNHJQUSKD-UHFFFAOYSA-N,2,1,0.74,84,360,420.379,3.741,5,0.413,0.67,1.0,0.9096446439586047,0.8043999725858406,0.7862637927489549,0.7529298882873003,0.813309574395175
EOS-2-35287,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)c1F,OQFNVAWCFFIURI-UHFFFAOYSA-N,2,1,0.57,84,73,420.379,3.741,5,0.413,0.72,1.0,0.7573418545678843,0.5390480433143718,0.7679562744157358,0.737492289767665,0.7004596155164142
EOS-2-35288,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1cn[nH]c1,GOMNPWUGCHWTCE-UHFFFAOYSA-N,2,1,0.602,13,209,420.379,4.261,5,0.457,0.75,1.0,0.919719347543006,0.7877458707422383,0.9243112192447399,0.8835069563429512,0.8788208484682338
EOS-2-35289,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4OC(F)F)n23)cn1,WNRYTYXVYHAZQE-UHFFFAOYSA-N,2,1,0.349,82,478,420.379,4.418,5,0.416,0.68,1.0,0.4908933589198821,0.47106092796929616,0.870228222877116,0.819940374203276,0.6630307209923926
EOS-2-35290,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccoc5)n34)cc2F)cn1,MGWRROGMTSYLIR-UHFFFAOYSA-N,2,1,0.593,35,215,420.379,3.741,5,0.387,0.66,1.0,0.9261788088547734,0.8000222740045233,0.7989342745528065,0.7529384552121171,0.8195184531560551
EOS-2-35291,Cc1nnc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccc4F)n23)o1,KLDNUGALEYWRNR-UHFFFAOYSA-N,2,1,0.512,34,372,420.379,4.007,5,0.424,0.77,1.0,0.7691556438900692,0.7790590089781372,0.651874443149887,0.6966280583921596,0.7241792886025632
EOS-2-35292,FC(F)c1ccc(-c2nnc3cncc(OCc4ncoc4-c4ccccc4)n23)cn1,BBZGHMVDIXOWEJ-UHFFFAOYSA-N,2,1,0.518,1,700,420.379,4.358,5,0.403,0.56,1.0,0.7062572818860942,0.5919231032828456,0.7369954081282982,0.6619919813583716,0.6742919436639023
EOS-2-35293,Fc1cccc(F)c1CCOc1cncc2nnc(-c3cncc(-c4ncco4)c3)n12,FPIPEVOLTBKIBH-UHFFFAOYSA-N,2,1,0.56,84,749,420.379,3.741,5,0.413,0.71,1.0,0.8058220821054074,0.5486429991090398,0.7345709684051813,0.7186707559454458,0.7019267013912686
EOS-2-35294,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2)o1,LUBBZOPFMOGZPQ-UHFFFAOYSA-N,2,1,0.568,43,178,420.379,4.007,5,0.424,0.76,1.0,0.8969912960043863,0.8159653210883421,0.7656774724145021,0.7291823726954972,0.801954115550682
EOS-2-35295,Cn1nc(-c2cc(F)ccc2F)cc1Oc1cncc2nnc(-c3ccc(O)cc3)n12,HNCQGBSMDDQPEG-UHFFFAOYSA-N,2,1,0.432,34,417,420.379,3.968,5,0.473,0.68,1.0,0.7062658488109108,0.6929699814954424,0.8090775135357412,0.7825543143033377,0.747716914536358
EOS-2-35296,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cc4)n23)cn1,NTGDCTJIWIAPCF-UHFFFAOYSA-N,2,1,0.518,1,430,420.379,4.358,5,0.403,0.75,1.0,0.7634757727366185,0.5714652868206429,0.872961071893633,0.7964670002056062,0.7510922829141251
EOS-2-35297,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5cc(F)ccc5F)n34)c2)o1,XYXIBGYHXZKZOL-UHFFFAOYSA-N,2,1,0.512,43,146,420.379,4.007,5,0.424,0.88,1.0,0.7863922966212048,0.740250839558632,0.7266808306490302,0.7048009046672606,0.7395312178740319
EOS-2-35298,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4cocn4)nc3)n12,XHPFDMIJSNVLMW-UHFFFAOYSA-N,2,1,0.588,84,749,420.379,3.741,5,0.413,0.66,1.0,0.8482369268727298,0.7578301692824344,0.7370039750531149,0.7213864711123296,0.7661143855801521
EOS-2-35299,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)o1,AHEICDFWBKNPLB-UHFFFAOYSA-N,2,1,0.411,59,332,420.379,4.007,5,0.424,0.67,1.0,0.739634020971832,0.5486515660338565,0.7700808717702693,0.7186793228702625,0.694261445411555
EOS-2-35300,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)o1,NIHILFQPJGQEGW-UHFFFAOYSA-N,2,1,0.561,59,153,420.379,4.007,5,0.424,0.67,1.0,0.805830649030224,0.6059214584332808,0.8112706462888082,0.747883969570283,0.7427266808306491
EOS-2-35301,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)c(F)c2)no1,VHVWNRVGHMYHEJ-UHFFFAOYSA-N,2,1,0.62,43,293,420.379,4.007,5,0.424,0.78,1.0,0.8086320334452745,0.8119560002741416,0.7266893975738469,0.7134277979576451,0.765176307312727
EOS-2-35302,FC(F)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)no4)n23)cc1,OVYARVUQJSARIA-UHFFFAOYSA-N,2,1,0.55,1,347,420.379,4.358,5,0.403,0.82,1.0,0.7092728394215613,0.6344064834487012,0.7189277636899458,0.6966366253169762,0.6898109279692961
EOS-2-35303,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)c(F)c1,HTMUCXFYPIRMIZ-UHFFFAOYSA-N,2,1,0.617,84,73,420.379,3.741,5,0.413,0.78,1.0,0.852820231649647,0.7835652114317044,0.7839935576725379,0.7553800287848674,0.7939397573846891
EOS-2-35304,FCc1nnc(-c2cccc(COc3cncc4nnc(-c5cccc(F)c5)n34)c2)o1,DNAGZCYQZPEYDW-UHFFFAOYSA-N,2,1,0.545,43,909,420.379,4.029,5,0.41,0.79,1.0,0.6168871221986156,0.6635425947501885,0.5787214721403605,0.5913491193201289,0.6126250771023234
EOS-2-35305,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,HZHBTMACEDENQK-UHFFFAOYSA-N,2,1,0.617,91,803,420.379,3.741,5,0.413,0.72,1.0,0.9512541977931601,0.9174319786169557,0.7725567130422863,0.7529470221369338,0.848547477897334
EOS-2-35306,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccoc5)cn4)n23)cn1,AXRISWBCVFLIOL-UHFFFAOYSA-N,2,1,0.57,27,69,420.379,4.358,5,0.403,0.66,1.0,0.6138886985127818,0.587271263107395,0.8511668151600301,0.7683846206565691,0.705177849359194
EOS-2-35307,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cnco1,YPORKWDTBWFIFQ-UHFFFAOYSA-N,2,1,0.605,35,352,420.379,3.741,5,0.387,0.7,1.0,0.9356880954012747,0.80003084092934,0.7796072921664039,0.7503512439174834,0.8164193681036255
EOS-2-35308,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)o1,JLBMWRXKIPNHOE-UHFFFAOYSA-N,2,1,0.493,61,574,420.379,4.418,5,0.416,0.79,1.0,0.6761017065314234,0.6880954012747584,0.822313412377493,0.7805239531217874,0.7417586183263656
EOS-2-35309,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)o1,BQBORKXWRFDKFR-UHFFFAOYSA-N,2,1,0.561,43,178,420.379,4.007,5,0.424,0.76,1.0,0.927455280652457,0.8310345418408608,0.7700894386950861,0.7238708793091632,0.8131125351243917
EOS-2-35310,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cn[nH]c1,DFTKZDDXFHUAPS-UHFFFAOYSA-N,2,1,0.489,13,209,420.379,4.261,5,0.457,0.71,1.0,0.8188438078267425,0.744868412034816,0.9158470975258721,0.8708022068398328,0.8375903810568158
EOS-2-35311,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccncc5)no4)n23)cc1,QPUZFILPMWIARO-UHFFFAOYSA-N,2,1,0.556,97,676,420.379,4.358,5,0.403,0.81,1.0,0.80041635254609,0.6247001576314166,0.87435748063875,0.8199489411280927,0.7798557329860873
EOS-2-35312,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(-c5cc[nH]n5)cc4)n23)cc1,RZNLGOUFWLFPIN-UHFFFAOYSA-N,2,1,0.708,1,528,420.379,4.575,5,0.433,0.77,1.0,0.9274638475772736,0.8081779864299911,0.9303166335412241,0.8986704132684532,0.8911572202042355
EOS-2-35313,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(F)c(F)c5)n34)cc2)cc1F,XGFONXACDJWKSS-UHFFFAOYSA-N,2,1,0.406,83,853,420.369,5.682,5,0.353,0.84,1.0,0.4787026249057638,0.8514409567541635,0.9944400657939826,0.9983294496607498,0.830728274278665
EOS-2-35314,OCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccncn5)n34)c(F)c2)o1,JNTBXPWFLFLXFZ-UHFFFAOYSA-N,2,1,0.467,4,677,420.364,1.842,5,0.433,0.65,1.0,0.6423480227537524,0.6438986361455692,0.24306079089849908,0.21538105681584538,0.4361721266534165
EOS-2-35315,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ncon1,VZGBZMRQOPDYFM-UHFFFAOYSA-N,2,1,0.418,46,896,420.364,2.358,5,0.404,0.58,0.996,0.6850027414159413,0.43620211089027483,0.20777362757864437,0.15685182646837093,0.37145757658830786
EOS-2-35316,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1nnco1,WTFYAYSJQNERBI-UHFFFAOYSA-N,2,1,0.409,46,62,420.364,2.358,5,0.404,0.59,0.994,0.6667551915564389,0.4181687341511891,0.22495887876088,0.16731204166952232,0.3692987115345076
EOS-2-35317,COc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1ncno1,WXTSADQIQKAQFO-UHFFFAOYSA-N,2,1,0.421,49,122,420.364,2.358,5,0.378,0.56,1.0,0.46621204852306214,0.40410184360222057,0.1741570145980399,0.12178740319374957,0.29156457747926806
EOS-2-35318,COc1nc(-c2nnc3cncc(OCc4ccc(F)nn4)n23)ccc1-c1cocn1,GZZLQTQRYCPRMT-UHFFFAOYSA-N,2,1,0.424,49,501,420.364,2.358,5,0.404,0.59,0.999,0.5443852374751559,0.4362106778150915,0.17725824138167365,0.12179597011856624,0.3199125316976218
EOS-2-35319,Fc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4cncnn4)nc3)n12,AFQOIJIOGSRPND-UHFFFAOYSA-N,2,1,0.321,50,315,420.358,3.782,5,0.437,0.66,0.999,0.3590912206154479,0.5486601329586731,0.9007693098485368,0.8891268590226852,0.6744118806113357
EOS-2-35320,Fc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)n2)cc1,LFYRUPUPPZHBFL-UHFFFAOYSA-N,2,1,0.309,22,315,420.358,3.782,5,0.437,0.7,0.105,0.2952247961071894,0.4710694948941128,0.7922606401206223,0.831831265848811,0.5975965492426838
EOS-2-35321,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)cc4)n23)c(F)c1,DGBIQERDJCQUGP-UHFFFAOYSA-N,2,1,0.532,13,913,420.354,4.458,5,0.4,0.75,1.0,0.8899407168802687,0.9389863614556919,0.9443149886916592,0.9349256390925913,0.9270419265300527
EOS-2-35322,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)c(F)c1,XPDHQEHIDRHZOU-UHFFFAOYSA-N,2,1,0.512,57,145,420.354,4.458,5,0.427,0.74,1.0,0.8436279213213624,0.923043314371873,0.927686587622507,0.9253049825234734,0.9049157014598039
EOS-2-35323,Fc1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)nc1,KNCXTSPDQZAJJM-UHFFFAOYSA-N,2,1,0.57,13,995,420.354,4.458,5,0.427,0.73,1.0,0.872806867246933,0.8159738880131588,0.9402885340278254,0.9416592419984923,0.8926821328216024
EOS-2-35324,Fc1cncc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)c1,XVSNEBFJEUGFJA-UHFFFAOYSA-N,2,1,0.584,13,995,420.354,4.458,5,0.427,0.71,1.0,0.8683349324926325,0.8197519018573093,0.952136591049277,0.9545438969227606,0.8986918305804948
EOS-2-35325,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)nc1,XETRWPRCYNZARA-UHFFFAOYSA-N,2,1,0.524,13,573,420.354,4.458,5,0.427,0.71,1.0,0.8110564731683915,0.6929785484202591,0.9243197861695566,0.9283805085326571,0.839183829072716
EOS-2-35326,Fc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)cc2)cn1,VBBBHLKXEHEUMP-UHFFFAOYSA-N,2,1,0.671,13,15,420.354,4.458,5,0.4,0.75,1.0,0.9488211911452266,0.9477588924679597,0.94973785210061,0.9416678089233089,0.9469964361592763
EOS-2-35327,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)c(F)c1,KLSLAFXJZPNDRR-UHFFFAOYSA-N,2,1,0.494,13,145,420.354,4.458,5,0.427,0.73,1.0,0.8747772599547666,0.9193167020766225,0.9592557055719279,0.9589130285792612,0.9280656740456446
EOS-2-35328,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)nc2)nc1,IIAHAIXJSQARTL-UHFFFAOYSA-N,2,1,0.389,13,573,420.354,4.458,5,0.427,0.75,1.0,0.7975721335069563,0.8237526557466932,0.9168237269549723,0.9158899321499554,0.8635096120896443
EOS-2-35329,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2)cc1,YDHMSGOYXQZWNX-UHFFFAOYSA-N,2,1,0.446,34,145,420.354,4.458,5,0.427,0.8,0.999,0.760365979028168,0.827496401891577,0.9082825029127545,0.9283890754574737,0.8561334898224933
EOS-2-35330,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5F)c(F)n4)n23)cn1,ZDHLAAUVMXANKK-UHFFFAOYSA-N,2,1,0.385,13,284,420.354,4.458,5,0.4,0.71,1.0,0.8188523747515591,0.8514495236789802,0.9082910698375711,0.9114265643204715,0.8725048831471456
EOS-2-35331,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)nn1,ASNFYAVERWMXNF-UHFFFAOYSA-N,2,1,0.6,57,15,420.354,4.458,5,0.427,0.73,1.0,0.8728154341717497,0.8750428346240834,0.9303252004660407,0.9315931053389076,0.9024441436501953
EOS-2-35332,Fc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)nc2)c1,WNLBTENGAZQSRE-UHFFFAOYSA-N,2,1,0.524,13,573,420.354,4.458,5,0.427,0.79,1.0,0.8390446165444452,0.8159824549379755,0.9382324720718251,0.942567336029059,0.8839567198958262
EOS-2-35333,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5cncnc5)cc4)n23)c(F)c1F,UMJXCMVTWPTUBR-UHFFFAOYSA-N,2,1,0.488,13,15,420.354,4.458,5,0.4,0.75,1.0,0.8241895689123432,0.8937015968747858,0.9583047769172778,0.9513141662668768,0.9068775272428209
EOS-2-35334,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)c(F)c1,UDAOLWQDTGVENW-UHFFFAOYSA-N,2,1,0.419,34,616,420.354,4.458,5,0.427,0.77,1.0,0.7000633952436434,0.787754437667055,0.8985590432458365,0.9232660544171064,0.8274107326434103
EOS-2-35335,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc([N+](=O)[O-])cc4)n23)no1,YNCUIEHDHNKORG-UHFFFAOYSA-N,2,1,0.529,36,728,420.349,1.457,5,0.288,0.74,1.0,0.37517990542115004,0.16213761908025495,0.019892399424302654,0.0038294153930505106,0.14025983482968954
EOS-2-35336,FC(F)Cc1cccc(Oc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,PWMFASFMDGCFRY-UHFFFAOYSA-N,2,1,0.627,48,444,420.341,5.41,4,0.405,0.8,1.0,0.9868497704064149,0.9748218079638133,0.9990662051949832,0.9979439380439997,0.9896704304023027
EOS-2-35337,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,JVRJYOURARZYLV-UHFFFAOYSA-N,2,1,0.685,48,240,420.341,4.71,4,0.439,0.81,1.0,0.9932663970940991,0.9953138921252828,0.9981666780892331,0.9972757179082996,0.9960056713042287
EOS-2-35338,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(F)c1,QXAQLJPWTABUNN-UHFFFAOYSA-N,2,1,0.718,48,240,420.341,4.71,4,0.439,0.8,1.0,0.9953310259749161,0.9933177986429991,0.9981752450140498,0.9970786786375163,0.9959756870673704
EOS-2-35341,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3nnn(-c4ccc(Cl)c(F)c4Cl)n3)n12,YXHQCFHPGMMBGB-UHFFFAOYSA-N,2,1,0.355,22,990,479.665,4.672,5,0.35,0.65,1.0,0.1528596395038037,0.479987663628264,0.8660646974162155,0.9583304776917277,0.6143106195600028
EOS-2-35342,Clc1cncc(-c2cnnc(-c3cncc4nnc(-c5ccccc5Cl)n34)c2)c1,UNULLZDQMBGDHG-UHFFFAOYSA-N,2,1,0.431,45,844,420.263,4.617,5,0.424,0.73,1.0,0.1859194023713248,0.3610701802480981,0.8011445411555068,0.9058323624151875,0.5634916215475293
EOS-2-35343,Clc1ccc(-c2nnc3cncc(-c4cnnc(-c5cccnc5)c4)n23)c(Cl)c1,QTYRWJBPFHMKBR-UHFFFAOYSA-N,2,1,0.371,45,46,420.263,4.617,5,0.424,0.61,1.0,0.23015900212459736,0.5162086217531355,0.8257658830786101,0.9046672606401206,0.6192001918991159
EOS-2-35344,Clc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,ZCZLZQPEVSEPCY-UHFFFAOYSA-N,2,1,0.469,45,730,420.263,4.617,5,0.424,0.8,1.0,0.2785364265643205,0.6439072030703858,0.7216863134809129,0.8821619491467343,0.6315729730655884
EOS-2-35345,Clc1ccc(-c2nnc3cncc(-c4ccnc(-c5ccnc(Cl)n5)c4)n23)cc1,RIVHULRNPYMNRO-UHFFFAOYSA-N,2,1,0.423,96,46,420.263,4.617,5,0.397,0.83,1.0,0.3185011308340758,0.5821825097662943,0.7609228291412514,0.8508669727914467,0.6281183606332671
EOS-2-35346,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)c(Cl)c1,WUPAEZMEQPBLTP-UHFFFAOYSA-N,2,1,0.379,96,575,420.263,4.617,5,0.424,0.75,0.999,0.25448906860393394,0.5209718319512028,0.8460694948941128,0.9058409293400042,0.6318428311973134
EOS-2-35347,Clc1ccc(-c2nnc3cncc(-c4nncc(-c5cccc(Cl)c5)n4)n23)cc1,LDCXUQMYVPGFPD-UHFFFAOYSA-N,2,1,0.435,45,730,420.263,4.617,5,0.424,0.8,1.0,0.27854499348913714,0.634415050373518,0.7059317387430608,0.8778699198135838,0.624190425604825
EOS-2-35348,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)cc1Cl,ZWNYCUCNQXZGKG-UHFFFAOYSA-N,2,1,0.368,96,575,420.263,4.617,5,0.424,0.81,1.0,0.35001884723459664,0.5437598519635392,0.8715903639229662,0.9148190665478719,0.6700470324172434
EOS-2-35349,Clc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)cn2)c1,VZBGFZZRHIHUGD-UHFFFAOYSA-N,2,1,0.346,82,478,420.263,4.617,5,0.397,0.76,0.998,0.31076519772462474,0.47545576040024673,0.8112792132136248,0.8850147351106846,0.6206287266122953
EOS-2-35350,Clc1ccc(-c2ncccc2-c2cncc3nnc(-c4ncc(Cl)cn4)n23)cc1,VQPVCCPLTIWPRW-UHFFFAOYSA-N,2,1,0.338,96,856,420.263,4.617,5,0.424,0.8,0.994,0.23583030635323143,0.3847662942910013,0.5978428483311631,0.7918579946542389,0.5025743609074087
EOS-2-35351,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)c(Cl)c1,BNBDPQPJVKFNEW-UHFFFAOYSA-N,2,1,0.384,96,575,420.263,4.617,5,0.424,0.77,1.0,0.26781920361866907,0.5162171886779522,0.8412805839215955,0.9068603933931876,0.6330443424028511
EOS-2-35352,Clc1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5)n4)n23)cc1Cl,VJACPCNPPIMCKF-UHFFFAOYSA-N,2,1,0.417,45,316,420.263,4.617,5,0.424,0.76,1.0,0.3428740319374957,0.5821910766911109,0.6956514289630594,0.8578061818929477,0.6196306798711535
EOS-2-35353,Clc1nc(Cl)c(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)[nH]1,CTBGXAIEZPJJJQ-UHFFFAOYSA-N,2,1,0.404,46,395,479.74,4.572,5,0.393,0.56,0.258,0.5522411075320403,0.5919316702076622,0.5117880885477349,0.6620005482831882,0.5794903536426564
EOS-2-35354,O=[N+]([O-])c1cc(-c2cnnc(F)c2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,FIXXSAZDNKXANU-UHFFFAOYSA-N,2,1,0.443,51,196,479.819,3.318,5,0.262,0.65,1.0,0.6482763347268864,0.45796209992461107,0.3416489616887122,0.2531954629566171,0.4252707148242067
EOS-2-35355,O=[N+]([O-])c1ccc(-c2cnc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)nn2)cc1,QLGQJJPCPOATLN-UHFFFAOYSA-N,2,1,0.406,4,526,479.819,3.318,5,0.262,0.65,0.844,0.559908505242958,0.32705948872592694,0.2870690836817216,0.22084675484887945,0.3487209581248715
EOS-2-35356,Cn1nc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1-c1ccc(C#N)c(F)c1,IGJIDKHUFXJODJ-UHFFFAOYSA-N,2,1,0.392,95,998,479.838,3.364,5,0.352,0.61,0.999,0.49336063326708246,0.5209803988760194,0.6711157562881228,0.702265094921527,0.596930470838188
EOS-2-35357,COc1cncc(CCOc2cncc3nnc(-c4cc(-c5ncc(Cl)cc5F)ncn4)n23)n1,VANKWPDBKWUBIA-UHFFFAOYSA-N,2,1,0.355,18,194,479.863,2.856,5,0.344,0.61,1.0,0.6606212733877047,0.5529778630662737,0.22496744568569665,0.23862312384346515,0.41929742649578505
EOS-2-35358,CCOc1cc(-c2nnc3cncc(OCc4ncnc(Cl)n4)n23)ncc1-c1cncc(F)c1,QCSIDMULVHIZBL-UHFFFAOYSA-N,2,1,0.327,51,435,479.863,3.204,5,0.343,0.55,1.0,0.7120485230621616,0.6344236172983346,0.3307604002467274,0.3106281269275581,0.49696516688369546
EOS-2-35359,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4F)n23)ccc1-c1nncc(C)n1,LCEZDRAANMZYNC-UHFFFAOYSA-N,2,1,0.366,46,896,479.863,3.122,5,0.335,0.57,0.918,0.6637739017202385,0.5821996436159276,0.2759663491193201,0.24438009732026592,0.44157999794393804
EOS-2-35360,Cn1c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)nnc1C1(F)COC1,WSYOROZAEYEGRV-UHFFFAOYSA-N,2,1,0.452,36,706,479.863,3.018,6,0.374,0.54,0.943,0.6365053800287849,0.7956103077239394,0.09517853471317936,0.21251113700226168,0.43495133986704126
EOS-2-35361,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)cn2)cc1F,RTGXVAVARNYBOH-UHFFFAOYSA-N,2,1,0.478,57,801,479.874,5.373,5,0.326,0.78,1.0,0.9249623055308067,0.9330923171818244,0.9629737509423617,0.9513227331916935,0.9430877767116715
EOS-2-35362,FC(F)Oc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)cc1,OTQDFPILOFGDFS-UHFFFAOYSA-N,2,1,0.659,1,713,479.874,5.687,5,0.298,0.81,1.0,0.9649698444246453,0.9389949283805086,0.969724487697896,0.9631964909875951,0.9592214378726612
EOS-2-35363,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1ccc(F)nc1,DNDYCZYVOFWOHD-UHFFFAOYSA-N,2,1,0.511,57,962,479.874,5.373,5,0.305,0.68,1.0,0.9710951956685628,0.9531303543280104,0.9672486464258789,0.9532074566513604,0.9611704132684531
EOS-2-35364,OCc1cc(-c2nnc3cncc(OCc4cc(F)cnc4-c4ccc(F)cc4)n23)ccc1Cl,QQUCILWKHSSHRB-UHFFFAOYSA-N,2,1,0.571,57,798,479.874,4.856,5,0.374,0.67,1.0,0.9794136796655473,0.9665033239668289,0.9566170927283942,0.9602237680762113,0.9656894661092454
EOS-2-35365,COc1cc(-c2ncccc2C)cc(F)c1Oc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,DRIUTBXWZKTHND-UHFFFAOYSA-N,2,1,0.484,13,236,479.874,5.894,5,0.313,0.75,1.0,0.9661863477486121,0.9540984168322939,0.944323555616476,0.9158984990747722,0.9451267048180385
EOS-2-35366,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc(F)c1-c1ccc(F)cc1,XXRXJYHQLFRAFK-UHFFFAOYSA-N,2,1,0.6,57,13,479.874,5.373,5,0.326,0.78,1.0,0.9818295524638476,0.9570711397436776,0.9554776917277774,0.9486498526488931,0.960757059146049
EOS-2-35367,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncc(F)c5)c4)n23)ccc1Cl,ZOXRNRAIUDIEKN-UHFFFAOYSA-N,2,1,0.553,59,13,479.874,5.373,5,0.326,0.73,1.0,0.9826776780206977,0.9700500308409293,0.9697330546227126,0.9613460352271949,0.9709516996778836
EOS-2-35368,Fc1cccc(F)c1COc1cncc2nnc(-c3cccc(COc4ccc(Cl)cc4)n3)n12,WHFHPFJMBMFVTC-UHFFFAOYSA-N,2,1,0.446,57,671,479.874,5.276,5,0.316,0.83,1.0,0.8291498183811938,0.7920464670002056,0.9303337673908574,0.9322441916249743,0.8709435610993078
EOS-2-35369,FC(F)Oc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccccc5Cl)n34)c2)cc1,UUHMBZCTSCCFJX-UHFFFAOYSA-N,2,1,0.59,1,640,479.874,5.687,5,0.298,0.82,1.0,0.9155472551572887,0.9374957165375917,0.9693903776300459,0.9688249605921458,0.9478145774792681
EOS-2-35370,Oc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccc(F)cc1F,LWDQJOWXRWFSDB-UHFFFAOYSA-N,2,1,0.571,88,222,479.874,5.112,5,0.364,0.68,1.0,0.9738023439106298,0.9693646768555959,0.9443321225412926,0.9500291275443766,0.9593820677129737
EOS-2-35371,COc1cc(Cl)ccc1-c1cncc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)c1,OGXKAVFXXAZWJZ-UHFFFAOYSA-N,2,1,0.5,59,137,479.874,5.373,5,0.326,0.67,1.0,0.9344630251524912,0.9193252690014393,0.9656037968610788,0.9589215955040779,0.9445784216297718
EOS-2-35372,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(F)c5)c4)n23)ccc1Cl,QGDVNIUJGQWTNB-UHFFFAOYSA-N,2,1,0.547,57,13,479.874,5.373,5,0.305,0.71,1.0,0.9718662189020629,0.9731940922486464,0.9707268179014461,0.960232335001028,0.9690048660132959
EOS-2-35373,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)nc4)n23)cc1,BYBWWPAWGIIGFL-UHFFFAOYSA-N,2,1,0.7,1,640,479.874,5.687,5,0.298,0.81,1.0,0.9842882598862313,0.9633078610102118,0.9690562675621959,0.9637961757247618,0.9701121410458501
EOS-2-35374,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)cc1F,IIBFILPTNJAOKD-UHFFFAOYSA-N,2,1,0.51,88,732,479.874,5.112,5,0.364,0.76,1.0,0.9445462956617092,0.9615088067987115,0.9472962785278597,0.9506545130559935,0.9510014735110685
EOS-2-35375,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccc(F)c(F)c1,SUOHKBFNZLVJAT-UHFFFAOYSA-N,2,1,0.553,57,80,479.874,5.373,5,0.326,0.68,1.0,0.9288945240216572,0.9431156192173258,0.9577564937290111,0.9457113974367761,0.9438695086011926
EOS-2-35376,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)ccc2F)cn1,OUPTTZMUCPUKIC-UHFFFAOYSA-N,2,1,0.54,35,494,479.878,4.505,5,0.331,0.63,1.0,0.967685559591529,0.9686878897950791,0.8526745939277637,0.8338873278048112,0.9057338427797957
EOS-2-35377,CCc1ncc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c(-c2cc(F)cc(F)c2)n1,UYLZIUDPYDZYCK-UHFFFAOYSA-N,2,1,0.4,46,915,479.878,4.716,5,0.348,0.65,1.0,0.7120570899869783,0.8044085395106573,0.6250856692481667,0.6910509903365089,0.7081505722705778
EOS-2-35378,Cc1nc(CF)cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)n1,WOWFRNJNMUSZGB-UHFFFAOYSA-N,2,1,0.595,59,294,479.878,4.793,5,0.345,0.7,1.0,0.9155558220821054,0.919333835926256,0.7609313960660681,0.7452196559522993,0.8352601775066821
EOS-2-35379,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2F)cn1,JCUNSSQJFUVZIO-UHFFFAOYSA-N,2,1,0.558,35,716,479.878,4.505,5,0.331,0.59,1.0,0.9607292166403948,0.9657922692070454,0.8476286752107464,0.8278048111849771,0.9004887430607909
EOS-2-35380,CC(F)(F)c1cncc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccc4)n23)n1,JBLQJAHFRZBOHF-UHFFFAOYSA-N,2,1,0.435,27,700,479.878,4.987,5,0.317,0.63,1.0,0.7184908505242958,0.8310431087656774,0.8347611541361113,0.7683931875813858,0.7881720752518675
EOS-2-35381,FCc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)cn1,BPAKSQHRXZOPKU-UHFFFAOYSA-N,2,1,0.54,35,494,479.878,4.527,5,0.339,0.67,1.0,0.9550664793365773,0.9561030772393941,0.7583955863203344,0.7805325200466041,0.8625244157357275
EOS-2-35382,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5F)n34)c(F)c2)cn1,FBSWLLQLEROPHZ-UHFFFAOYSA-N,2,1,0.57,37,919,479.878,4.505,5,0.331,0.65,1.0,0.9127201699677884,0.957962099924611,0.8132239051470084,0.7942053320540059,0.8695278767733534
EOS-2-35383,FC(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn1,JAIGENKUEJBHNM-UHFFFAOYSA-N,2,1,0.511,75,525,479.878,4.856,5,0.308,0.64,1.0,0.8987475155918032,0.9361164416421082,0.8793948324309506,0.839978411349462,0.888559300253581
EOS-2-35384,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)n1,DQMPKMHPJOUNRM-UHFFFAOYSA-N,2,1,0.586,44,531,479.878,4.505,5,0.331,0.68,1.0,0.9414365019532589,0.8637858954149819,0.7879771777122884,0.7942138989788226,0.846853368514838
EOS-2-35385,Cc1ncncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ncc1F,DRPLREFQZQXUNO-UHFFFAOYSA-N,2,1,0.439,84,672,479.878,4.505,5,0.354,0.62,0.155,0.8268881502295936,0.8197604687821259,0.8366116098965115,0.8437221574943459,0.8317455966006442
EOS-2-35386,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,GELYAYZOTYCTSO-UHFFFAOYSA-N,2,1,0.495,44,531,479.878,4.505,5,0.331,0.68,1.0,0.8899492838050853,0.8415033239668289,0.7771400178192036,0.7942224659036392,0.8257037728736892
EOS-2-35387,Cc1nnc(-c2ccc(F)nc2)c(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1C,GPAVWFJJTNPGON-UHFFFAOYSA-N,2,1,0.541,59,391,479.878,4.771,5,0.335,0.66,1.0,0.8728240010965663,0.9431241861421424,0.7266979644986635,0.7529555890617504,0.8239004351997807
EOS-2-35388,FC(F)c1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)c(Cl)c3)n12,BKURGNVVRYNLQK-UHFFFAOYSA-N,2,1,0.522,37,202,479.878,4.856,5,0.329,0.62,1.0,0.8412120485230622,0.9212271263107394,0.895038037146186,0.8850233020355014,0.8856251285038723
EOS-2-35389,FC(F)c1ccccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccn1,VIBBVZTVFLXTIP-UHFFFAOYSA-N,2,1,0.5,72,132,479.878,4.856,5,0.329,0.68,1.0,0.896999862929203,0.905429716948804,0.8132324720718251,0.8139178260571586,0.8573949695017478
EOS-2-35390,Cc1nc(-c2cc(Cl)ccc2F)cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)n1,IDTWJJNBMZRXCF-UHFFFAOYSA-N,2,1,0.424,44,531,479.878,4.505,5,0.354,0.65,0.933,0.8136608183126585,0.7707490919059694,0.6929614145706258,0.7503598108423001,0.7569327839078884
EOS-2-35391,Cc1c(F)cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)nn1,UGGQDIIMLACDIZ-UHFFFAOYSA-N,2,1,0.576,54,381,479.878,4.505,5,0.354,0.68,0.886,0.8862226715098348,0.8415118908916456,0.8150829278322254,0.8318398327736276,0.8436643307518332
EOS-2-35392,FCc1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c(F)n2)ccn1,QNGWSKJLKYKMCJ-UHFFFAOYSA-N,2,1,0.495,11,490,479.878,4.527,5,0.317,0.63,1.0,0.8639743677609485,0.9156500582550887,0.6793999725858406,0.7022736618463437,0.7903245151120555
EOS-2-35393,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1c(C)oc(=O)n1C,QLMVSHNQVNQMOX-UHFFFAOYSA-N,2,1,0.426,16,458,479.884,3.089,5,0.361,0.55,1.0,0.4382153382221918,0.43621924473990814,0.21134603522719483,0.15686039339318758,0.31066025289562055
EOS-2-35394,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1c(C)oc(=O)n1C,HCLOBFAKLVMTOI-UHFFFAOYSA-N,2,1,0.44,72,458,479.884,3.089,5,0.361,0.51,1.0,0.4356709615516414,0.46672606401206224,0.20778219450346103,0.15401617435405388,0.31604884860530463
EOS-2-35395,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1coc(=O)n1C,VIRYKYBCOGMUCE-UHFFFAOYSA-N,2,1,0.459,72,224,479.884,2.824,5,0.346,0.65,1.0,0.5266003015557535,0.4934463025152491,0.23240353642656433,0.18935473922280857,0.36045121993009394
EOS-2-35396,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)cnc4OC)n23)ccc1-c1nnco1,MXJYKCINDZHGAT-UHFFFAOYSA-N,2,1,0.52,15,925,479.884,3.528,5,0.326,0.63,1.0,0.7427266808306491,0.5669505174422589,0.3416575286135289,0.22673223219793023,0.46951673977109176
EOS-2-35397,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1noc(=O)n1C,TZQLMIVQNWYDBX-UHFFFAOYSA-N,2,1,0.521,15,771,479.884,2.824,5,0.346,0.59,1.0,0.5341477623192379,0.4840912206154479,0.1772668083064903,0.17282914125145638,0.34208373312315815
EOS-2-35398,FCc1nc(-c2cccc(Cl)c2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)o1,CFTZOBFZLKTSEK-UHFFFAOYSA-N,2,1,0.337,76,653,479.884,5.348,6,0.325,0.58,0.958,0.24666746624631622,0.41355116167500516,0.2718456582825029,0.4185970803920225,0.33766534164896167
EOS-2-35399,Clc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cncnc6)nc5)n34)cc2)cn1,BJWWRTVOYWJQGZ-UHFFFAOYSA-N,2,1,0.419,42,868,479.891,4.546,6,0.351,0.69,1.0,0.6395295044890686,0.7535552737989172,0.6222243163593997,0.6001987526557467,0.653876961825783
EOS-2-35400,Clc1nccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccccc6)nn5)n34)cn2)n1,VGKGLUCEOSGIRJ-UHFFFAOYSA-N,2,1,0.355,30,363,479.891,4.546,6,0.328,0.74,0.991,0.648284901651703,0.629463367829484,0.4269755328627236,0.44386094167637585,0.5371461860050716
EOS-2-35401,Clc1ccc(-c2ccc(-c3nnc4cncc(Oc5nccc(-c6cncnc6)n5)n34)cc2)nc1,KFHGGOUUXUVHCQ-UHFFFAOYSA-N,2,1,0.379,41,868,479.891,4.546,6,0.351,0.71,1.0,0.7152525529435954,0.6733088890411898,0.5491398807484066,0.5399561373449386,0.6194143650195326
EOS-2-35402,Clc1ccc(Oc2ncc(-c3nnc4cncc(-c5ccnc(-c6cncnc6)c5)n34)cn2)cc1,QCSRSWJDRJMLCI-UHFFFAOYSA-N,2,1,0.34,94,165,479.891,4.546,6,0.351,0.73,1.0,0.36817216092111577,0.389700842985402,0.5818226989239943,0.5913576862449456,0.4827633472688644
EOS-2-35403,COc1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1cn(C)cn1,KUAYHRFPBATNRK-UHFFFAOYSA-N,2,1,0.474,15,771,479.903,4.009,5,0.348,0.68,1.0,0.754463367829484,0.697801727092043,0.6462631073949695,0.5662908642313755,0.6662047666369679
EOS-2-35404,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1ccn(C)n1,KTXLEUIIUJEXEU-UHFFFAOYSA-N,2,1,0.449,49,442,479.903,4.009,5,0.348,0.66,1.0,0.5685953670070591,0.5624957165375917,0.572647522445343,0.5199181001987526,0.5559141765471866
EOS-2-35405,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1-c1ncnn1C,GFNFYHDRZYWFAH-UHFFFAOYSA-N,2,1,0.686,91,781,479.903,4.009,5,0.348,0.79,1.0,0.7487663628263999,0.6635511616750052,0.6821842231512576,0.6185062709889658,0.6782520046604071
EOS-2-35406,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)ccc1-c1cncn1C,ZGJNFHLOIFEIAK-UHFFFAOYSA-N,2,1,0.479,49,1,479.903,4.009,5,0.348,0.69,1.0,0.6196028373654993,0.557946679459941,0.6131176752792817,0.5531063669385238,0.5859433897608114
EOS-2-35407,COc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5Cl)n34)nn2C)c1,OIDHRJIACPMAIV-UHFFFAOYSA-N,2,1,0.479,95,998,479.903,4.009,5,0.348,0.67,1.0,0.42431978616955657,0.37563395243643344,0.6682801041738058,0.629977383318484,0.5245528065245699
EOS-2-35408,COc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1ccnn1C,HWKXWEIOXBTNEP-UHFFFAOYSA-N,2,1,0.542,15,777,479.903,4.009,5,0.326,0.64,1.0,0.62502570077445,0.5579552463847577,0.7082533753683777,0.6063583715989308,0.6243981735316291
EOS-2-35409,COCc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cnnn4C)c(F)c3)n12,NYOHRTZIBWSCFR-UHFFFAOYSA-N,2,1,0.54,43,521,479.903,4.105,5,0.347,0.61,1.0,0.5686039339318758,0.6489188540881365,0.8067901446096909,0.7730964293057364,0.69935234048386
EOS-2-35410,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)n4)n23)ccc1-c1cncn1C,KPMPEHQMYSLYOD-UHFFFAOYSA-N,2,1,0.49,15,771,479.903,4.009,5,0.326,0.71,1.0,0.8086406003700911,0.6881039681995751,0.6711243232129395,0.5756288122815434,0.6858744260160372
EOS-2-35411,COCCn1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)c1,QIWUAVSWZKOERQ-UHFFFAOYSA-N,2,1,0.463,24,276,479.903,4.068,5,0.331,0.66,0.972,0.4611661298060448,0.3993214995545199,0.6767699266671235,0.6561407717085875,0.5483495819340689
EOS-2-35412,COc1nc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1ccnn1C,MNDCRHCSPLLOFM-UHFFFAOYSA-N,2,1,0.479,49,749,479.903,4.009,5,0.348,0.66,1.0,0.5341563292440545,0.5027157151668837,0.5559420190528408,0.5064680282365842,0.5248205229250908
EOS-2-35413,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1-c1nncn1C,NCAUUUWQQAGTJN-UHFFFAOYSA-N,2,1,0.534,91,313,479.903,4.009,5,0.348,0.7,1.0,0.7427352477554657,0.7124169008292783,0.6682886710986224,0.6271074635049003,0.6876370707970667
EOS-2-35414,COc1cc(-c2nnc3cncc(OCc4c(-c5ccnc(F)c5)nc(C)n4C)n23)ccc1Cl,PINXJRZTBCCKGU-UHFFFAOYSA-N,2,1,0.448,4,67,479.903,4.275,5,0.336,0.56,1.0,0.6606298403125214,0.7535638407237338,0.542397710917689,0.4845024330066479,0.6102734562401481
EOS-2-35415,COc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nn2C)c1,GCWNWUWQEASVQT-UHFFFAOYSA-N,2,1,0.574,95,381,479.903,4.009,5,0.348,0.72,1.0,0.46622061544787885,0.38970940991021863,0.6873672126653416,0.6362655061339182,0.5448906860393393
EOS-2-35416,Cc1cc(-n2nc(C)n(C)c2=O)ccc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,IBJLDVPREIWUNF-UHFFFAOYSA-N,2,1,0.5,43,612,479.903,3.664,5,0.382,0.65,1.0,0.44279864299910904,0.5345247070111713,0.4051641422794874,0.4565742581043109,0.4597654375985196
EOS-2-35417,COc1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1ncnn1C,RSDMHBDJKFJZBH-UHFFFAOYSA-N,2,1,0.559,91,803,479.903,4.009,5,0.348,0.78,1.0,0.6572544719347543,0.6586765814543212,0.6278956205880337,0.5881279555890617,0.6329886573915426
EOS-2-35418,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1O,OBOFUBRTOAKRKR-UHFFFAOYSA-N,2,1,0.437,26,490,479.903,4.189,5,0.373,0.65,0.998,0.6112415187444314,0.5966691796312795,0.6011925159344802,0.5789699129600439,0.5970182818175588
EOS-2-35419,COc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cnn(C)c1,QCNYNMZJTCSNTQ-UHFFFAOYSA-N,2,1,0.515,15,619,479.903,4.009,5,0.326,0.6,1.0,0.6699849222123226,0.6586851483791378,0.7540007538893838,0.6505465698033034,0.683304348571037
EOS-2-35420,OCCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)cn1,PZKPSUXRTNAWFH-UHFFFAOYSA-N,2,1,0.544,37,545,479.903,3.456,5,0.34,0.62,1.0,0.630748406551984,0.6011753820848468,0.6767784935919402,0.6794942087588239,0.6470491227468987
EOS-2-35421,COc1ncccc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)c(F)c4)n(C)n3)n12,XBVKEFSATRTFMD-UHFFFAOYSA-N,2,1,0.495,95,998,479.903,4.009,5,0.348,0.61,1.0,0.4428072099239257,0.44474333493249263,0.5289562058803372,0.4964875608251662,0.4782485778904804
EOS-2-35422,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cn(C)c1=O,MGWVIARVOLIVOU-UHFFFAOYSA-N,2,1,0.5,84,672,479.903,3.305,5,0.371,0.65,1.0,0.415101775066822,0.3176530052772257,0.515394763895552,0.54995373860599,0.44952582071139746
EOS-2-35423,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)cc1-c1cnn(C)c1,CLSDFBBIPVHDTQ-UHFFFAOYSA-N,2,1,0.516,35,626,479.903,4.009,5,0.326,0.62,1.0,0.5997447056404633,0.6011839490096635,0.7561853197176341,0.6648104996230553,0.6554811184977041
EOS-2-35424,COc1nc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1cn(C)cn1,OONLFYOTAXLZHU-UHFFFAOYSA-N,2,1,0.474,49,749,479.903,4.009,5,0.348,0.61,0.988,0.6307569734768008,0.6247087245562333,0.5590518127612912,0.5096891919676513,0.5810516756904942
EOS-2-35425,Fc1cc(-c2cncnc2)ccc1-c1ncccc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,UIPSGVXHEBUYHH-UHFFFAOYSA-N,2,1,0.385,69,696,479.906,5.77,6,0.319,0.7,0.997,0.3544222465903639,0.6733174559660065,0.9062692755808375,0.9330923171818244,0.7167753238297581
EOS-2-35426,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)nc2)nc1,BIISOYVMJWMSAI-UHFFFAOYSA-N,2,1,0.373,93,479,479.906,5.77,6,0.319,0.79,1.0,0.3933332191076691,0.5437684188883558,0.8412891508464122,0.8877047495031184,0.6665238845863889
EOS-2-35427,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccc6Cl)cc5)n34)nc2)cn1,LNWYAZGXTDOKET-UHFFFAOYSA-N,2,1,0.373,69,479,479.906,5.77,6,0.298,0.69,1.0,0.3544308135151806,0.5073075868686177,0.8821533822219176,0.9058494962648208,0.6624353197176341
EOS-2-35428,Fc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)c2)c1,XNGCLWMJLGHHQB-UHFFFAOYSA-N,2,1,0.299,69,696,479.906,5.77,6,0.298,0.68,1.0,0.31596532108834213,0.48409978754026456,0.8996127749982866,0.9232746213419231,0.6557381262422041
EOS-2-35429,Fc1cc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)cc4)n23)c1,UAPBYISMRUDNEG-UHFFFAOYSA-N,2,1,0.333,69,696,479.906,5.77,6,0.298,0.72,1.0,0.3359005551367281,0.4983551504351998,0.9139109725173052,0.932252758549791,0.670104859159756
EOS-2-35430,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)cc5)n34)cn2)n1,CGHFLEHOOVCSJQ-UHFFFAOYSA-N,2,1,0.351,69,479,479.906,5.77,6,0.298,0.74,1.0,0.29523336303200604,0.47999623055308066,0.8833270509218011,0.9011719553149201,0.639932149955452
EOS-2-35431,Fc1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)ccc1Cl,OYBXQILDQFABBU-UHFFFAOYSA-N,2,1,0.375,93,107,479.906,5.77,6,0.319,0.76,1.0,0.39978411349461995,0.6586937153039545,0.8645826194229319,0.9159070659995888,0.7097418785552738
EOS-2-35432,Fc1ccccc1-c1cnnc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ccccc5)c4)n23)n1,ZAYIRRUMXSAYAE-UHFFFAOYSA-N,2,1,0.364,93,991,479.906,5.77,6,0.319,0.68,1.0,0.31077376464944145,0.6439157699952025,0.8278048111849771,0.9102871633198547,0.673195377287369
EOS-2-35433,Fc1cc(-c2cnncc2-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)ccc1Cl,JOYRIXBYCPOOMS-UHFFFAOYSA-N,2,1,0.34,30,220,479.906,5.77,6,0.319,0.75,1.0,0.32583441847714345,0.5115310808032348,0.9062778425056541,0.9340346789116579,0.6694195051744226
EOS-2-35434,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)c6)cc5)n34)cc2)nc1,GLBYPRNPVXDTKO-UHFFFAOYSA-N,2,1,0.342,69,867,479.906,5.77,6,0.298,0.74,1.0,0.36136145569186484,0.5073161537934343,0.8794033993557673,0.8998783496676033,0.6619898396271675
EOS-2-35435,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cnc1Cl,YTBYUBKVDBCFDU-UHFFFAOYSA-N,2,1,0.342,69,645,479.906,5.77,6,0.298,0.72,1.0,0.3406380645603454,0.5115396477280515,0.9334007264752244,0.9425759029538757,0.6820385854293742
EOS-2-35436,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cc2)cnc1Cl,SZICZDDEXQEOOK-UHFFFAOYSA-N,2,1,0.333,69,30,479.906,5.77,6,0.298,0.74,1.0,0.3159738880131588,0.4934548694400658,0.9041960797752039,0.9179888287300391,0.6579034164896169
EOS-2-35437,Fc1ccc(-c2ncncc2-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1Cl,SQLDGVIUQYPHFG-UHFFFAOYSA-N,2,1,0.313,30,696,479.906,5.77,6,0.319,0.78,0.995,0.3705794667945994,0.49346343636488244,0.8729696388184497,0.9102957302446714,0.6618270680556507
EOS-2-35438,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cc2)ccc1Cl,DFXNQKLFMNKMNW-UHFFFAOYSA-N,2,1,0.371,69,696,479.906,5.77,6,0.319,0.76,1.0,0.3660047289424988,0.5919402371324789,0.9334092934000411,0.9433040915632924,0.7086645877595779
EOS-2-35439,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2Cl)nc1,FQJMKIJSYKOLSN-UHFFFAOYSA-N,2,1,0.325,69,696,479.906,5.77,6,0.319,0.73,1.0,0.37756151052018366,0.5486686998834899,0.9225721335069563,0.9392091015009252,0.6970028613528887
EOS-2-35440,Fc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)ccc1Cl,FZXAVPYHECKOOV-UHFFFAOYSA-N,2,1,0.351,69,645,479.906,5.77,6,0.298,0.74,1.0,0.3681807278459324,0.5390566102391885,0.9168322938797889,0.9274724145020903,0.68788551161675
EOS-2-35441,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cn6)cc5)n34)nc2)nc1,NWZMLVFEACGPAY-UHFFFAOYSA-N,2,1,0.371,32,479,479.906,5.77,6,0.319,0.7,1.0,0.3310002741415941,0.5209889658008361,0.8688489479816325,0.8960318004249195,0.6542174970872455
EOS-2-35442,CCc1nc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1cncn1CC,NOFUGZYSPZCVFR-UHFFFAOYSA-N,2,1,0.327,31,690,479.907,3.794,5,0.324,0.57,0.768,0.4498577890480433,0.43622781166472485,0.1644335549311219,0.16732060859433898,0.3044599410595573
EOS-2-35443,CCn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cnc(CF)cn1,IOTQOERCGZPWTL-UHFFFAOYSA-N,2,1,0.4,31,569,479.907,3.604,5,0.332,0.52,0.995,0.35002741415941335,0.2508481255568501,0.14557775340963608,0.19464909875950928,0.23527559797135222
EOS-2-35444,Clc1ccc(-c2nnc3cncc(OCc4oc(-c5ccccc5)nc4-c4ccccc4)n23)cc1,SSKZPICWALVRGI-UHFFFAOYSA-N,2,1,0.632,12,47,479.927,6.346,6,0.277,0.71,1.0,0.9721317935713796,0.959923925707628,0.7135306010554452,0.7708861627030361,0.8541181207593722
EOS-2-35445,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5conc5-c5ccccc5)n34)c2)cc1,ZQVUHRVYVIGHFZ-UHFFFAOYSA-N,2,1,0.541,12,47,479.927,6.346,6,0.277,0.72,1.0,0.7276574600781304,0.6978102940168597,0.847637242135563,0.8792920293331505,0.7880992563909259
EOS-2-35446,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)nc1,SGFKRPRVCWAASH-UHFFFAOYSA-N,2,1,0.418,41,285,479.931,5.7,6,0.315,0.74,1.0,0.685011308340758,0.6733260228908231,0.7561938866424508,0.7632701665410184,0.7194503461037625
EOS-2-35447,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c(-n2ccnc2)c1,TUDWCWSTDWLJFM-UHFFFAOYSA-N,2,1,0.453,28,363,479.931,5.271,6,0.323,0.75,1.0,0.59975327256528,0.5255037351792201,0.787985744637105,0.8028836268932904,0.6790315948187239
EOS-2-35448,Clc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)cc2)c1,CVPSLYBXNOWJAR-UHFFFAOYSA-N,2,1,0.552,41,25,479.931,5.271,6,0.323,0.67,1.0,0.6083116304571311,0.6204166952230827,0.804905421150024,0.807149955451991,0.7101959255705572
EOS-2-35449,Clc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cc1,ZUHAFSVKFPEIQX-UHFFFAOYSA-N,2,1,0.547,12,285,479.931,5.271,6,0.323,0.71,1.0,0.45678843122472756,0.5579638133095743,0.7817661572202043,0.7986601329586731,0.6487946336782948
EOS-2-35450,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cn[nH]c5)cn4)n23)cc1-c1ccccc1,SAPFRPMFQIAYRR-UHFFFAOYSA-N,2,1,0.516,12,285,479.931,5.476,6,0.34,0.63,1.0,0.727666027002947,0.8237612226715099,0.8428054965389624,0.8558700568843808,0.8125257007744501
EOS-2-35451,Cn1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)c(Cl)c2)c1=O,FBQKXIGEHOBRJX-UHFFFAOYSA-N,2,1,0.308,30,668,479.931,4.663,6,0.367,0.64,0.999,0.07799328353094373,0.2608114591186348,0.7034301966965938,0.7553885957096841,0.44940588376396406
EOS-2-35452,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccccc5-n5cccn5)n34)c2)cc1,FCLIDOFRUDYBAI-UHFFFAOYSA-N,2,1,0.5,77,177,479.931,5.271,6,0.323,0.74,1.0,0.41280583921595504,0.4887344938660818,0.7879943115619217,0.8139263929819752,0.6258652594064834
EOS-2-35453,Cc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4ccc5ccccc5n4)n23)cn1,SPNVQUHWEWTDEU-UHFFFAOYSA-N,2,1,0.459,28,891,479.931,5.337,6,0.308,0.81,1.0,0.7062744157357275,0.8237697895963265,0.6044051127407306,0.6299859502433006,0.6911088170790213
EOS-2-35454,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccccc5-n5cccn5)n34)c2)cc1,KBUPJSYCOWTPGP-UHFFFAOYSA-N,2,1,0.452,77,177,479.931,5.271,6,0.323,0.77,1.0,0.38211911452265096,0.40866801452950446,0.747164347885683,0.7825628812281543,0.5801285895414982
EOS-2-35455,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)o6)cc5Cl)n34)cc2)n1,SFXRQSBZVWVUAM-UHFFFAOYSA-N,2,1,0.317,69,645,479.931,5.841,6,0.313,0.67,1.0,0.2952419299568227,0.4490696319649099,0.7319237886368309,0.7077393598793777,0.5459936776094854
EOS-2-35456,Clc1ccc(-c2ccc3ccc(-c4nnc5cncc(OCCc6ccncc6)n45)nc3c2)cn1,ZLHFKWPCJZGVAJ-UHFFFAOYSA-N,2,1,0.444,28,384,479.931,5.071,6,0.308,0.73,1.0,0.7457336714412994,0.8044171064354739,0.7109262559111781,0.745228222877116,0.7515763141662668
EOS-2-35457,COc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6cccc6)cc5Cl)n34)cc2)nc1,XQJAHWGXYMWKMR-UHFFFAOYSA-N,2,1,0.373,9,867,479.931,5.368,6,0.33,0.7,1.0,0.2678277705434857,0.3073726954972243,0.7880028784867384,0.7708947296278528,0.5335245185388253
EOS-2-35458,Clc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)cn1,PEHGXQWMQCKBPU-UHFFFAOYSA-N,2,1,0.505,28,177,479.931,5.271,6,0.323,0.68,1.0,0.5059625796724008,0.5768710163799603,0.7562024535672675,0.7754694674799534,0.6536263792748955
EOS-2-35459,Clc1ccccc1-n1ncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,RUUHPNKTIURHMA-UHFFFAOYSA-N,2,1,0.505,12,285,479.931,5.271,6,0.323,0.84,1.0,0.45456103077239396,0.5966777465560962,0.6131262422040984,0.7134363648824618,0.5944503461037626
EOS-2-35460,Cn1nc(-c2cccnc2)cc1Oc1cncc2nnc(-c3ccc(Cl)c(-c4ccccc4)c3)n12,RIJXHXBCXVTNQW-UHFFFAOYSA-N,2,1,0.398,12,285,479.931,5.7,6,0.315,0.76,1.0,0.5240387910355698,0.6439243369200192,0.7421612637927489,0.7660115824823521,0.6690339935576726
EOS-2-35461,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cc(C)[nH]n5)nc4)n23)c(-c2ccc(Cl)cn2)n1,GIZMKULHIVIBSR-UHFFFAOYSA-N,2,1,0.277,32,693,479.935,4.971,6,0.38,0.63,0.959,0.2570677129737509,0.3415718593653622,0.4382581728462751,0.459821122609828,0.37417971694880403
EOS-2-35462,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)c(Cl)c2)n1,NHIFWAWIDKLWOJ-UHFFFAOYSA-N,2,1,0.314,38,314,479.935,4.673,6,0.362,0.7,1.0,0.20827907614282776,0.29733225961208964,0.46307655404016174,0.4995802206839833,0.3670670276197656
EOS-2-35463,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnnn6C)ccc5Cl)n34)cc2)cn1,OMJURGLRDWXXSK-UHFFFAOYSA-N,2,1,0.333,25,228,479.935,4.673,6,0.362,0.78,1.0,0.20259063806456035,0.3897179768350353,0.5559505859776575,0.6185148379137825,0.4416935096977589
EOS-2-35464,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(Cl)n(C)n6)nc5)n34)cc2)n1,JUZLYRPJIWVVQO-UHFFFAOYSA-N,2,1,0.31,38,725,479.935,4.673,6,0.362,0.72,1.0,0.1635854293742718,0.29232060859433895,0.4839198821191145,0.48726954972243164,0.35677386745253925
EOS-2-35465,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cn5)n34)nc2)n(C)n1,HOEFLYCCKQIIFC-UHFFFAOYSA-N,2,1,0.346,32,301,479.935,4.673,6,0.362,0.76,0.988,0.08927592351449523,0.22536152422726338,0.33465835103831126,0.4346686313480913,0.27099110753204025
EOS-2-35466,CCn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,SJWBBPVJBBLSNZ-UHFFFAOYSA-N,2,1,0.321,8,474,479.935,4.847,6,0.326,0.78,1.0,0.15550681927215407,0.2352563223905147,0.29405969433212253,0.447287711603043,0.2830276368994586
EOS-2-35467,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)ccc5Cl)n34)nc2)cn1,QXEGRQUDJQBPPF-UHFFFAOYSA-N,2,1,0.291,3,314,479.935,4.673,6,0.362,0.75,1.0,0.14696559522993627,0.31766157220204233,0.5457730792954562,0.57563737920636,0.3965094064834487
EOS-2-35468,CCn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,GPTIPRMJWACCFU-UHFFFAOYSA-N,2,1,0.294,30,934,479.935,4.847,6,0.326,0.77,0.998,0.11141285724076486,0.18712733877047494,0.21135460215201152,0.3838667671852512,0.22344039133712562
EOS-2-35469,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5)n34)c(Cl)c2)nn1,VWVVYIJLDPJRJB-UHFFFAOYSA-N,2,1,0.325,9,867,479.935,4.673,6,0.362,0.71,1.0,0.2162805839215955,0.2869662805839216,0.4630851209649784,0.4932663970940991,0.36489959564114866
EOS-2-35470,COc1cc(-c2nnc3cncc(OCCOc4ccc(Cl)cc4)n23)ccc1-c1cscn1,OUWWQSFXXCWPLZ-UHFFFAOYSA-N,2,1,0.535,1,383,479.949,5.035,5,0.288,0.75,1.0,0.9344715920773079,0.8484939346172298,0.7370125419779316,0.6588393530258378,0.7947043554245768
EOS-2-35471,OCc1ncc(-c2cccc(-c3nnc4cncc(OCCOc5ccc(Cl)cc5)n34)c2)s1,HVPARSNUJBXBMP-UHFFFAOYSA-N,2,1,0.534,1,660,479.949,4.518,5,0.327,0.71,1.0,0.6938780755260092,0.7029590158316771,0.6369251593448015,0.627116030429717,0.6652195702830512
EOS-2-35472,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cn1,ZMIAWBFZLLIDRE-UHFFFAOYSA-N,2,1,0.484,75,454,479.953,4.126,5,0.327,0.68,1.0,0.5628469604550751,0.5162257556027688,0.3123500788157083,0.30103317113289013,0.4231139915016106
EOS-2-35473,COc1cc(-c2nnc3cncc(OCc4ccc(-c5sc(C)nc5C)nn4)n23)ccc1Cl,FLOCFNSNFCDYNV-UHFFFAOYSA-N,2,1,0.5,4,67,479.953,4.563,5,0.349,0.69,1.0,0.5266088684805702,0.6929871153450757,0.25392365156603386,0.22360530463984649,0.42428123500788156
EOS-2-35474,COc1cc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)ccc1-c1csc(C)n1,DDBWJINAGYTRNI-UHFFFAOYSA-N,2,1,0.449,15,777,479.953,4.297,5,0.318,0.71,1.0,0.6820385854293742,0.712425467754095,0.2503169762182167,0.2034301966965938,0.4620528065245699
EOS-2-35475,COc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,HZYXYMNWMYCEKO-UHFFFAOYSA-N,2,1,0.455,87,579,479.953,4.297,5,0.34,0.72,1.0,0.6938866424508259,0.7214121718867795,0.2539322184908505,0.20343876362141045,0.46816744911246655
EOS-2-35476,CCc1snnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(OC)c4)n23)cn1,ORVXMFMICXVKAM-UHFFFAOYSA-N,2,1,0.495,16,67,479.953,4.508,5,0.336,0.71,0.96,0.5034439037763004,0.6635597285998218,0.27949592214378727,0.2830768967171544,0.43239411280926604
EOS-2-35477,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1csc(C)n1,SKTUTYMVPHOBRG-UHFFFAOYSA-N,2,1,0.441,49,501,479.953,4.297,5,0.318,0.6,1.0,0.5740267973408265,0.5669590843670756,0.2503255431430334,0.19741621547529298,0.3971819100815571
EOS-2-35478,COCc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)s1,WLDHGKVOMGHFPL-UHFFFAOYSA-N,2,1,0.41,18,840,479.953,4.126,5,0.327,0.6,1.0,0.4220238503186896,0.35144095675416354,0.30859776574600783,0.31063669385237475,0.3481748166678089
EOS-2-35479,Clc1ccc(-c2nnc3cncc(-c4nnc(-c5ncc(-c6ccsc6)s5)s4)n23)cc1,RTYAKVDCTPWXQD-UHFFFAOYSA-N,2,1,0.417,10,572,480.003,5.815,6,0.317,0.48,0.85,0.2191847714344459,0.4800047974778973,0.19019429785484201,0.3906432047152354,0.3200067678706051
EOS-2-35480,Clc1ccccc1-c1nnc2cncc(OCc3ccc(-c4cscn4)cc3)n12,CNPCGWUEHZHXIU-UHFFFAOYSA-N,2,1,0.57,1,709,419.897,5.147,5,0.394,0.88,1.0,0.7634843396614351,0.8575491741484477,0.7989428414776232,0.829946542389144,0.8124807244191625
EOS-2-35481,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nc4)n23)cc1,OAEGKDCTLOBSNX-UHFFFAOYSA-N,2,1,0.662,97,232,419.897,5.147,5,0.394,0.86,1.0,0.9519309848536769,0.9266928243437735,0.7989514084024398,0.8219536015351929,0.8748822047837708
EOS-2-35482,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)s1,TZXXYVYFVPYKHI-UHFFFAOYSA-N,2,1,0.506,1,700,419.897,5.147,5,0.394,0.81,1.0,0.6542817490233706,0.8000394078541567,0.6956599958878761,0.7478925364950997,0.7244684223151258
EOS-2-35483,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)cc2)nc1,KQIWXBJQFQXJOP-UHFFFAOYSA-N,2,1,0.658,1,22,419.897,5.147,5,0.394,0.78,1.0,0.8340415324515112,0.8663559728599822,0.7518761565348503,0.782571448152971,0.8087112774998287
EOS-2-35484,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncs5)cc4)n23)cc1,CYRYZTRGUUTSNH-UHFFFAOYSA-N,2,1,0.735,1,326,419.897,5.147,5,0.394,0.79,1.0,0.9533616612980604,0.9551864162840107,0.839695702830512,0.8594510314577479,0.9019237029675827
EOS-2-35485,Clc1csc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,LMXGLZYORYLGGN-UHFFFAOYSA-N,2,1,0.524,1,700,419.897,5.147,5,0.394,0.82,1.0,0.6909995887876088,0.8000479747789734,0.7008087177026935,0.7553971626345007,0.7368133609759442
EOS-2-35486,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncs5)c4)n23)cc1,BBPHHVXNANYCKT-UHFFFAOYSA-N,2,1,0.694,1,326,419.897,5.147,5,0.394,0.79,1.0,0.9334949626482077,0.9499263244465767,0.829792337742444,0.8558786238091974,0.8922730621616064
EOS-2-35487,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cc1,ANXGUJHADFODFP-UHFFFAOYSA-N,2,1,0.714,1,951,419.897,5.147,5,0.394,0.84,1.0,0.9504574737852101,0.9579706668494278,0.8298009046672606,0.8508755397162634,0.8972761462545406
EOS-2-35488,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2)cc1,KOTVGVIHSGBYQG-UHFFFAOYSA-N,2,1,0.671,1,326,419.897,5.147,5,0.394,0.82,1.0,0.9141594133369886,0.9054382838736207,0.8011531080803235,0.8455811801795627,0.8665829963676239
EOS-2-35489,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cn1,AZUUJSLAMNKZCO-UHFFFAOYSA-N,2,1,0.584,97,91,419.897,5.147,5,0.369,0.82,1.0,0.8824960592145843,0.7790675759029538,0.8314885888561442,0.8399869782742787,0.8332598005619902
EOS-2-35490,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cc1,RQEYNMIMRLIABG-UHFFFAOYSA-N,2,1,0.658,97,744,419.897,5.147,5,0.394,0.8,1.0,0.7664827633472688,0.907494345829621,0.7989599753272565,0.8299551093139607,0.8257230484545267
EOS-2-35491,Clc1ccc(-c2nnc3cncc(OCc4csnc4-c4ccccc4)n23)cc1,NVJXUSXWCBRTKI-UHFFFAOYSA-N,2,1,0.64,1,709,419.897,5.147,5,0.394,0.76,1.0,0.9096532108834213,0.9135768624494551,0.6711328901377561,0.7632787334658351,0.8144104242341168
EOS-2-35492,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnsc5)c4)n23)cc1,XGFNRANNVBWMCT-UHFFFAOYSA-N,2,1,0.694,1,326,419.897,5.147,5,0.394,0.72,1.0,0.909661777808238,0.9096275101089712,0.8511753820848468,0.8778784867384004,0.887085789185114
EOS-2-35493,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cncs5)n34)c2)cc1,MROIERXXBSJVAL-UHFFFAOYSA-N,2,1,0.605,57,326,419.897,5.147,5,0.394,0.82,1.0,0.7396425878966486,0.8119645671989583,0.7880114454115551,0.8380080186416284,0.7944066547871976
EOS-2-35494,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)n(C)n1,QICSSDZUSATGAC-UHFFFAOYSA-N,2,1,0.398,22,140,419.851,4.355,5,0.434,0.72,1.0,0.21628915084641218,0.5209975327256527,0.7161092454252621,0.7529641559865671,0.5515900212459736
EOS-2-35495,Cc1cc(-c2nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)ccc1F,UBVHDSPPIHFUAO-UHFFFAOYSA-N,2,1,0.423,22,316,419.851,4.355,5,0.434,0.78,1.0,0.19993489137139334,0.5115482146528683,0.5850695634295113,0.7134449318072784,0.5024994003152629
EOS-2-35496,Cc1cn(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)nc1,NNXDIKDOFNQXQQ-UHFFFAOYSA-N,2,1,0.391,22,844,419.851,4.355,5,0.434,0.79,1.0,0.21629771777122883,0.4086765814543212,0.7216948804057296,0.7529727229113837,0.5249104756356658
EOS-2-35497,CCn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1,JGRDLURRXUMUGZ-UHFFFAOYSA-N,2,1,0.37,61,316,419.851,4.529,5,0.428,0.69,1.0,0.3310088410664108,0.4447519018573093,0.7008172846275101,0.7871204852306216,0.565924628195463
EOS-2-35498,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1Cl,QRILNDYTYSNKHO-UHFFFAOYSA-N,2,1,0.64,43,951,419.847,4.954,5,0.404,0.76,1.0,0.8728325680213831,0.8829329723802344,0.9473048454526763,0.9513313001165101,0.9136004214927009
EOS-2-35499,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-n4cccc4)cc3)n12,VKLATAJWWGAFRM-UHFFFAOYSA-N,2,1,0.538,57,671,419.847,4.954,5,0.404,0.82,1.0,0.6699934891371393,0.7491518744431499,0.9234973613871564,0.9357480638749914,0.8195976972106093
EOS-2-35500,Fc1cc(-c2nnc3cncc(OCc4cccc(-n5cccc5)c4)n23)ccc1Cl,NNPGPHWYBYNEAE-UHFFFAOYSA-N,2,1,0.615,43,951,419.847,4.954,5,0.404,0.75,1.0,0.8807227057775341,0.9156586251799054,0.9437410047289425,0.9493352066342265,0.9223643855801522
EOS-2-35501,Cn1nccc1-c1cnc(COc2cncc3nnc(-c4ccnc(Cl)c4)n23)nc1,QCHFNQIGGXBGOK-UHFFFAOYSA-N,2,1,0.443,51,946,419.836,2.609,5,0.4,0.71,1.0,0.4356795284764581,0.47107806181892947,0.25394078541566717,0.2500599684737167,0.3526895860461928
EOS-2-35502,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccn1,UYHHDCQLQPGTCJ-UHFFFAOYSA-N,2,1,0.56,7,45,419.836,2.609,5,0.427,0.65,1.0,0.36601329586731546,0.4362363785895415,0.1902028647796587,0.22361387156466314,0.30401660270029474
EOS-2-35503,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1,CCFUWYCIITXOIJ-UHFFFAOYSA-N,2,1,0.489,36,208,419.836,2.609,5,0.427,0.64,1.0,0.4611746967308615,0.507324720718251,0.2572904530189843,0.28308546364197107,0.37721883352751695
EOS-2-35504,Cn1nc(-c2ncccn2)nc1COc1cncc2nnc(-c3ccccc3Cl)n12,CRNZCUAEMHIOMY-UHFFFAOYSA-N,2,1,0.524,36,446,419.836,2.609,5,0.427,0.76,0.999,0.35909978754026456,0.5390651771640053,0.03515865944760469,0.08400726475224453,0.25433272222602976
EOS-2-35505,Cn1nc(-c2ncccn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,CXGVBQRTOVOTAG-UHFFFAOYSA-N,2,1,0.577,36,446,419.836,2.609,5,0.427,0.72,1.0,0.642356589678569,0.7748183811938867,0.045379000753889384,0.09933349324926324,0.3904718662189021
EOS-2-35506,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)cn2)n1,XXIANYICGSORQL-UHFFFAOYSA-N,2,1,0.461,92,617,419.836,2.609,5,0.4,0.64,1.0,0.3728668357206497,0.49347200328969915,0.21783976423822904,0.19742478240010966,0.32040084641217187
EOS-2-35507,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2)n1,MNZMNSVQYGKLCI-UHFFFAOYSA-N,2,1,0.554,36,447,419.836,2.609,5,0.4,0.73,1.0,0.49841511890891643,0.5027242820917004,0.19710780618189294,0.23266054417106435,0.35772693783839354
EOS-2-35508,Clc1ccncc1CCOc1cncc2nnc(-c3cncc(-c4nc[nH]n4)c3)n12,WQZVBQIGLVOOMW-UHFFFAOYSA-N,2,1,0.489,65,349,419.836,2.641,5,0.446,0.69,1.0,0.6482934685765198,0.6685456788431224,0.31982043725584264,0.3712219861558495,0.5019703927078336
EOS-2-35509,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccnnc1,HOEIFYJMVZQYJO-UHFFFAOYSA-N,2,1,0.422,53,694,419.836,2.609,5,0.427,0.61,1.0,0.3591083544650812,0.3270680556507436,0.3050681927215407,0.3389161126721952,0.3325401788773901
EOS-2-35510,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2)n1,JDAABOIHSVNVOZ-UHFFFAOYSA-N,2,1,0.603,36,447,419.836,2.609,5,0.427,0.72,1.0,0.4787111918305805,0.5210060996504695,0.22875402645466383,0.27110033582345283,0.3748929134397917
EOS-2-35511,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnn1,JTWZWZCWUWAMLX-UHFFFAOYSA-N,2,1,0.593,36,659,419.836,2.609,5,0.427,0.73,1.0,0.7747926804194366,0.7920550339250223,0.2144129943115619,0.28890240559248853,0.5175407785621273
EOS-2-35512,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)n1,DQKFCSIIDMFHEI-UHFFFAOYSA-N,2,1,0.582,36,447,419.836,2.609,5,0.427,0.7,1.0,0.49090192584469877,0.5437769858131725,0.2216520457816462,0.25908094030566786,0.3788529744362963
EOS-2-35513,Cc1ncc(-c2nnc3cncc(OCc4cn(-c5cccc(Cl)c5)nn4)n23)cn1,LLRQBEJHEUUDKX-UHFFFAOYSA-N,2,1,0.593,51,185,419.836,2.703,5,0.427,0.67,1.0,0.1335412240422178,0.32707662257556025,0.2041755191556439,0.25639949283805086,0.2302982146528682
EOS-2-35514,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cnn2)cn1,LOKJKUGQQMTGTQ-UHFFFAOYSA-N,2,1,0.466,92,182,419.836,2.609,5,0.4,0.53,1.0,0.4128144061407717,0.41817730107600576,0.3906517716400521,0.37791275443766703,0.39988905832362415
EOS-2-35515,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1,IALUIIAJNXFRIE-UHFFFAOYSA-N,2,1,0.505,87,579,419.836,2.641,5,0.446,0.62,1.0,0.6791258309917072,0.7619337262696183,0.21136316907682817,0.25006853539853335,0.47562281543417173
EOS-2-35516,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c[nH]nn5)n34)nn2)cc1,XPSLYAWSKKNKNZ-UHFFFAOYSA-N,2,1,0.461,54,691,419.836,2.641,5,0.446,0.63,0.807,0.5628555273798918,0.6247172914810499,0.18688746487560826,0.307509766294291,0.4204925125077102
EOS-2-35517,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cn1,YJQKIAWBHNLJPV-UHFFFAOYSA-N,2,1,0.419,46,915,419.836,2.703,5,0.427,0.66,1.0,0.30553080666164073,0.3514495236789802,0.17727537523130696,0.21251970392707834,0.26169385237475157
EOS-2-35518,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2)n[nH]1,FXNOQMOKYRXAJD-UHFFFAOYSA-N,2,1,0.472,47,320,419.836,2.907,5,0.461,0.7,1.0,0.5766568432595436,0.5966863134809129,0.22497601261051334,0.2208553217736961,0.40479362278116654
EOS-2-35519,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cn1,AYHVPOJSFMOFRV-UHFFFAOYSA-N,2,1,0.417,7,94,419.836,2.609,5,0.427,0.69,1.0,0.4860016448495648,0.5162343225275855,0.25033411006785006,0.24709581248714962,0.3749164724830375
EOS-2-35520,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2)cn1,HPMZULMDFZATMB-UHFFFAOYSA-N,2,1,0.402,92,94,419.836,2.609,5,0.427,0.72,1.0,0.30027928174902335,0.3944040847097526,0.2795044890686039,0.2711089027482695,0.31132418956891234
EOS-2-35521,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2)n1,WAXJHUMUTJCSTJ-UHFFFAOYSA-N,2,1,0.488,36,320,419.836,2.609,5,0.427,0.72,1.0,0.45899869782742786,0.5345332739359879,0.2077907614282777,0.212528270851895,0.35346275101089714
EOS-2-35522,Cn1nc(-c2cnccn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,LNUGUQPTDVLQNV-UHFFFAOYSA-N,2,1,0.577,36,446,419.836,2.609,5,0.427,0.72,0.994,0.6196114042903159,0.761942293194435,0.07657117401137688,0.14658865053800288,0.40117838050853266
EOS-2-35523,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1,AIZPGEAYNBHUKK-UHFFFAOYSA-N,2,1,0.57,36,447,419.836,2.609,5,0.4,0.75,1.0,0.6637824686450552,0.5486772668083065,0.2682818175587691,0.3106452607771914,0.4478467034473306
EOS-2-35524,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccnc5Cl)n34)cn2)n[nH]1,QAKYDOWGMOROEX-UHFFFAOYSA-N,2,1,0.435,55,283,419.836,2.907,5,0.432,0.71,1.0,0.5853008703995614,0.6733345898156398,0.2144215612363786,0.232669111095881,0.42643153313686516
EOS-2-35525,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c2)cn1,XZFBYUDBASPVEG-UHFFFAOYSA-N,2,1,0.512,92,434,419.836,2.609,5,0.4,0.71,1.0,0.30296929614145707,0.4536443698170105,0.3494876978959633,0.30438283873620725,0.35262105064765953
EOS-2-35526,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1,JVRKNLPGRJCBTO-UHFFFAOYSA-N,2,1,0.564,36,447,419.836,2.609,5,0.427,0.73,1.0,0.6606384072373381,0.5714738537454596,0.26446953601535195,0.3228188609416764,0.4548501644849565
EOS-2-35527,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,DPCKYBNRARRQTR-UHFFFAOYSA-N,2,1,0.506,51,19,419.836,2.609,5,0.427,0.61,1.0,0.5418579946542389,0.49836371736001644,0.21784833116304572,0.2443886642450826,0.3756146768555959
EOS-2-35528,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)n1,SQFZSCGQXPIVFI-UHFFFAOYSA-N,2,1,0.455,53,617,419.836,2.609,5,0.427,0.6,1.0,0.39334178603248576,0.4841083544650812,0.21137173600164486,0.21253683777671167,0.3253396785689809
EOS-2-35529,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1,JLXOISKLBKLRID-UHFFFAOYSA-N,2,1,0.449,92,860,419.836,2.609,5,0.427,0.67,1.0,0.345367007059146,0.4667346309368789,0.27185422520731956,0.2653604961962854,0.33732908984990745
EOS-2-35530,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cn1,SSNOGAQUWDMHTI-UHFFFAOYSA-N,2,1,0.404,51,823,419.836,2.609,5,0.4,0.7,1.0,0.5315776848742375,0.5255123021040368,0.20418408608046057,0.2092557055719279,0.3676324446576657
EOS-2-35531,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cn1,DAIJCNFXUMXTQV-UHFFFAOYSA-N,2,1,0.43,51,196,419.836,2.609,5,0.427,0.65,1.0,0.43568809540127473,0.4934805702145158,0.2287625933794805,0.2267407991227469,0.34616801452950446
EOS-2-35532,Cn1nncc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,XYPDNGUTUREZMS-UHFFFAOYSA-N,2,1,0.575,36,212,419.836,2.609,5,0.427,0.61,1.0,0.536700705914605,0.7214207388115962,0.23591597560139813,0.2979833458981564,0.448005191556439
EOS-2-35533,Cn1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1-c1cccnc1,MUDGOQOPUHQDKS-UHFFFAOYSA-N,2,1,0.394,95,694,419.836,2.609,5,0.4,0.69,1.0,0.31598245493797544,0.33656877527242823,0.1398464807072853,0.17541635254609006,0.24195351586594477
EOS-2-35534,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,FHYLXZYSXFAQOV-UHFFFAOYSA-N,2,1,0.466,55,45,419.836,2.609,5,0.427,0.65,1.0,0.5341648961688712,0.5298814337605373,0.22877116030429717,0.2590895072304846,0.3879767493660476
EOS-2-35535,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cn1,LANPCSZJJGQHHT-UHFFFAOYSA-N,2,1,0.477,55,45,419.836,2.609,5,0.4,0.67,1.0,0.5110341991638682,0.49348913713933246,0.232412103351381,0.24710437941196628,0.371009954766637
EOS-2-35536,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,IAAPXSVIHYUEKI-UHFFFAOYSA-N,2,1,0.449,92,36,419.836,2.609,5,0.4,0.62,1.0,0.42675279281749023,0.444760468782126,0.37202727708861627,0.38092831197313415,0.4061172126653417
EOS-2-35537,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2)nn1,PFZARSOVCBJESL-UHFFFAOYSA-N,2,1,0.472,36,815,419.836,2.609,5,0.427,0.68,1.0,0.3933503529573025,0.4624854362278117,0.2682903844835858,0.27111746967308614,0.34881091083544646
EOS-2-35538,Cn1nncc1-c1cnc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)cn1,FTZQKXZVENZKAN-UHFFFAOYSA-N,2,1,0.541,7,212,419.836,2.609,5,0.427,0.65,1.0,0.3613700226166815,0.5255208690288534,0.21785689808786238,0.2830940305667877,0.34696045507504625
EOS-2-35539,Cn1cnc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)n1,OXPSOPOUQLPIIS-UHFFFAOYSA-N,2,1,0.453,2,36,419.836,2.609,5,0.4,0.61,1.0,0.4243283530943732,0.4754643273250634,0.2904615859091221,0.29479644986635595,0.37126267904872867
EOS-2-35540,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3cccc(Cl)n3)n12,YXNMXDOHZGPMRU-UHFFFAOYSA-N,2,1,0.398,53,226,419.836,2.609,5,0.4,0.62,1.0,0.3359091220615448,0.38477486121581794,0.14269069974641901,0.18119045987252416,0.26114128572407647
EOS-2-35541,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cnn1,HXGIIUSFHLEXFD-UHFFFAOYSA-N,2,1,0.433,55,875,419.836,2.609,5,0.4,0.58,0.992,0.5686125008566925,0.6107874717291482,0.23242067027619764,0.2564080597628675,0.41705717565622646
EOS-2-35542,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)n1,XNQDPLABODWCHQ-UHFFFAOYSA-N,2,1,0.54,15,499,419.836,2.641,5,0.417,0.75,1.0,0.8457353848262628,0.8119731341237749,0.257299019943801,0.3106538277020081,0.5564153416489617
EOS-2-35543,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)nc1,DUXSJMSPQZRVTO-UHFFFAOYSA-N,2,1,0.583,15,499,419.836,2.641,5,0.446,0.68,1.0,0.8881330957439517,0.8346754848879446,0.29047015283393873,0.33892467959701184,0.5880508532657118
EOS-2-35544,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)nn1,OWLWVPFTTQZCDU-UHFFFAOYSA-N,2,1,0.517,92,617,419.836,2.609,5,0.427,0.67,1.0,0.30028784867384006,0.46674319786169555,0.24665033239668288,0.28000137070797065,0.3234206874100473
EOS-2-35545,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)cn1,PUAZLNUIEQEKGU-UHFFFAOYSA-N,2,1,0.402,92,62,419.836,2.609,5,0.427,0.66,0.998,0.3845521211705846,0.32708518950037696,0.34949626482077994,0.34523850318689603,0.3515930196696594
EOS-2-35546,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,UJSCOMQUAIZGML-UHFFFAOYSA-N,2,1,0.483,55,283,419.836,2.609,5,0.427,0.64,0.999,0.47372524158727985,0.4934977040641491,0.2904787197587554,0.3198033034062093,0.3943762422040984
EOS-2-35547,Cn1nc(-c2nnc3cncc(OCc4cccnc4Cl)n23)cc1-c1cncnc1,JIHBOIMCRWBYHZ-UHFFFAOYSA-N,2,1,0.402,92,694,419.836,2.609,5,0.4,0.71,0.996,0.3567181824412309,0.31767013912685904,0.2759749160441368,0.3043914056610239,0.31368866081831265
EOS-2-35548,COc1ncc(-c2nnc3cncc(-c4nc(-c5cccnc5)nn4C)n23)cc1Cl,OBPZUKHDWOSTDZ-UHFFFAOYSA-N,2,1,0.337,50,489,419.836,2.706,5,0.437,0.75,0.996,0.19994345829621,0.35145809060379685,0.08106880954012748,0.10363408950723048,0.1840261119868412
EOS-2-35549,CCn1cncc1-c1cc(-c2nnc3cncc(Oc4ncccn4)n23)cc(Cl)n1,LNSOPKLRYIOWGN-UHFFFAOYSA-N,2,1,0.343,7,624,419.836,3.305,5,0.399,0.64,0.996,0.4332550887533411,0.4225892673565897,0.19021143170447535,0.17542491947090672,0.3053701768213282
EOS-2-35550,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)cn1,AGPYRIYQVGZYGB-UHFFFAOYSA-N,2,1,0.407,51,468,419.836,2.609,5,0.4,0.71,1.0,0.39335891988211913,0.502732849016517,0.23242923720101433,0.22674936604756357,0.3388175930368035
EOS-2-35551,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)n1,FMNORLDBMMLIQP-UHFFFAOYSA-N,2,1,0.57,36,258,419.836,2.609,5,0.4,0.76,1.0,0.6423651566033857,0.5255294359536701,0.27186279213213627,0.2889109725173052,0.43216708930162434
EOS-2-35552,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)cn1,ZLDCMEBXFBDFFG-UHFFFAOYSA-N,2,1,0.422,92,94,419.836,2.609,5,0.427,0.68,1.0,0.34288259886231237,0.47547289424988004,0.2759834829689535,0.26536906312110203,0.33992700980056195
EOS-2-35553,Cc1ccc(-c2nnc3cncc(Oc4cc(-c5cnc(Cl)nc5)nn4C)n23)cn1,PXPIPGUBKVMCOG-UHFFFAOYSA-N,2,1,0.409,92,434,419.836,3.131,5,0.409,0.74,1.0,0.46118326365567813,0.5486858337331232,0.2644781029401686,0.21538962374066206,0.372434206017408
EOS-2-35554,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)nc1,GYTCTHHGXODYOA-UHFFFAOYSA-N,2,1,0.505,87,579,419.836,2.641,5,0.446,0.61,1.0,0.6112500856692482,0.7169145363580289,0.2610684668631348,0.30751833321910765,0.4741878555273799
EOS-2-35555,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)n1,FYQIZQUOOLZNQX-UHFFFAOYSA-N,2,1,0.46,55,565,419.836,2.609,5,0.4,0.64,1.0,0.5133644027140017,0.5669676512918923,0.24306935782331573,0.25007710232335,0.39336962853813995
EOS-2-35556,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)n1,KKXOAOIWHQWKHN-UHFFFAOYSA-N,2,1,0.455,58,954,419.836,2.641,5,0.417,0.57,1.0,0.557227057775341,0.7029675827564937,0.23243780412583098,0.2800099376327873,0.4431605955726133
EOS-2-35557,Cc1n[nH]c(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)n1,VTKFMIVEJIHLQW-UHFFFAOYSA-N,2,1,0.489,55,486,419.836,2.907,5,0.432,0.64,1.0,0.5740353642656432,0.5345418408608046,0.2795130559934206,0.280018504557604,0.4170271914193681
EOS-2-35558,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)nc1,CYSAWNNKRQFEMR-UHFFFAOYSA-N,2,1,0.418,46,565,419.836,2.609,5,0.4,0.66,1.0,0.41062127338770477,0.4316016722637242,0.31611952573504215,0.3259971900486601,0.37108491535878285
EOS-2-35559,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccnn4)n23)cc1Cl,AXMZXMMCIGAUBK-UHFFFAOYSA-N,2,1,0.529,36,610,419.836,2.609,5,0.427,0.64,1.0,0.42913439791652386,0.576879583304777,0.22877972722911383,0.2711260365979028,0.37647993626207943
EOS-2-35560,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)cn1,BELZLHQQIFEUTK-UHFFFAOYSA-N,2,1,0.433,92,468,419.836,2.609,5,0.427,0.66,1.0,0.3567267493660476,0.46249400315262834,0.29048728668357204,0.2711346035227195,0.3452106606812419
EOS-2-35561,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2)n1,TWLPWHMMARQCCF-UHFFFAOYSA-N,2,1,0.389,51,924,419.836,2.609,5,0.427,0.63,1.0,0.37986601329586733,0.4135597285998218,0.17728394215612364,0.18119902679734082,0.2879771777122884
EOS-2-35562,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,FWMFMTYYXMRPOB-UHFFFAOYSA-N,2,1,0.608,36,895,419.836,2.609,5,0.427,0.75,1.0,0.7120656569117949,0.7619508601192516,0.2539493523404839,0.34851106846686314,0.5191192344595984
EOS-2-35563,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cn1,RSRWLUGOHWAEEQ-UHFFFAOYSA-N,2,1,0.466,55,283,419.836,2.609,5,0.4,0.65,1.0,0.4637105064765952,0.5115567815776849,0.3013844150503735,0.3168819820437256,0.3983834212870948
EOS-2-35564,Cn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,YJLIIKTWPPHKDU-UHFFFAOYSA-N,2,1,0.561,36,212,419.836,2.609,5,0.427,0.66,1.0,0.5009337948050168,0.6733431567404564,0.2216606127064629,0.29799191282297305,0.4234823692687273
EOS-2-35565,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)ccn1,KISDXZYTHQJWBA-UHFFFAOYSA-N,2,1,0.588,15,499,419.836,2.641,5,0.417,0.77,1.0,0.8935559591529024,0.8663645397847989,0.36059043245836475,0.39351312452881915,0.6285060139812213
EOS-2-35566,Cn1cnc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)n1,RNVSKGUWBQYDFX-UHFFFAOYSA-N,2,1,0.465,2,36,419.836,2.609,5,0.427,0.66,1.0,0.45227366184634366,0.46675176478651226,0.2795216229182373,0.29480501679117266,0.3733380165855665
EOS-2-35567,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)nc1,ZNHNMVLHYKMWTM-UHFFFAOYSA-N,2,1,0.625,36,728,419.836,2.609,5,0.427,0.75,1.0,0.4545695976972106,0.5822082105407443,0.1936810362552258,0.28310259749160444,0.3783903604961963
EOS-2-35568,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1,AARQDNRJEWQHRD-UHFFFAOYSA-N,2,1,0.542,92,36,419.836,2.609,5,0.427,0.67,1.0,0.35003598108423,0.43161023918854086,0.2503426769926667,0.2948135837159893,0.33170062024535674
EOS-2-35569,Clc1cc(CCOc2cncc3nnc(-c4cccc(-c5c[nH]nn5)c4)n23)ncn1,OJGOBOVTPDWVLB-UHFFFAOYSA-N,2,1,0.459,15,561,419.836,2.641,5,0.417,0.62,1.0,0.6761102734562402,0.6733517236652731,0.2940682612569392,0.3359091220615448,0.49485984510999925
EOS-2-35570,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccn1,LWEHCHJRTCYTJN-UHFFFAOYSA-N,2,1,0.62,36,728,419.836,2.609,5,0.427,0.79,1.0,0.7544719347543006,0.8119817010485916,0.20073161537934342,0.29800047974778976,0.5162964327325064
EOS-2-35571,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)n1,JZXANBRGPAIGPI-UHFFFAOYSA-N,2,1,0.433,46,395,419.836,2.609,5,0.4,0.66,0.878,0.4018230416009869,0.312538551161675,0.2833424713864711,0.2771143170447536,0.31870459529847167
EOS-2-35572,Cn1nncc1-c1ccnc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,FWIVXBFSYSGYDV-UHFFFAOYSA-N,2,1,0.407,46,565,419.836,2.609,5,0.4,0.67,1.0,0.3681892947707491,0.3415804262901789,0.3161280926598588,0.3291926530052772,0.33877261668151604
EOS-2-35573,Clc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5nc[nH]n5)c4)n23)c1,YYJLPGDVUOFSQQ-UHFFFAOYSA-N,2,1,0.484,87,227,419.836,2.641,5,0.446,0.66,1.0,0.5970375573983963,0.6439329038448358,0.25395791926530054,0.30439997258584056,0.4498320882735933
EOS-2-35574,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1,XSNGAKQNXYKTBO-UHFFFAOYSA-N,2,1,0.595,36,447,419.836,2.609,5,0.427,0.69,1.0,0.49842368583373314,0.5579723802343911,0.22498457953533,0.29179802618052225,0.3932946679459941
EOS-2-35575,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cn1,VIKOUMWJFDUHOB-UHFFFAOYSA-N,2,1,0.506,7,45,419.836,2.609,5,0.427,0.65,1.0,0.4332636556781578,0.5210146665752862,0.19021999862929204,0.21801966965937908,0.34062949763552874
EOS-2-35576,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cc1,SZUGXFZKHYBTAR-UHFFFAOYSA-N,2,1,0.485,36,475,419.836,2.609,5,0.427,0.66,1.0,0.41511034199163865,0.480013364402714,0.26448666986498526,0.2831111644164211,0.36068038516893974
EOS-2-35577,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)c2)n1,WYNVHJCIYQDVDF-UHFFFAOYSA-N,2,1,0.437,2,36,419.836,2.609,5,0.4,0.6,1.0,0.44986635597285995,0.43161880611335757,0.3233842779795765,0.28311973134123775,0.3719972928517579
EOS-2-35578,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)n1,BJIUJQNGTCVBHO-UHFFFAOYSA-N,2,1,0.433,7,94,419.836,2.609,5,0.427,0.6,1.0,0.39111438558015216,0.4800219313275307,0.2287882941539305,0.21802823658419573,0.3294882119114523
EOS-2-35579,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)n1,XJLPGIOPVQCNFD-UHFFFAOYSA-N,2,1,0.512,36,208,419.836,2.609,5,0.427,0.66,1.0,0.5159173463093688,0.5486944006579398,0.20419265300527722,0.21254540470152833,0.37033745116852856
EOS-2-35580,Cn1ncnc1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)nc4)c3)n12,BUBCJYZUVNNTQZ-UHFFFAOYSA-N,2,1,0.432,2,36,419.836,2.609,5,0.4,0.67,1.0,0.39979268041943666,0.4579706668494277,0.22166917963127955,0.26834178603248576,0.3369435782331574
EOS-2-35581,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cnccn4)n23)c(Cl)c1,NNFSUYFANJSRNR-UHFFFAOYSA-N,2,1,0.471,92,815,419.836,2.609,5,0.427,0.63,1.0,0.3520406414913303,0.4983722842848331,0.3086063326708245,0.3325851552326777,0.37290110341991645
EOS-2-35582,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1,ZWBMAFAAYXDNTP-UHFFFAOYSA-N,2,1,0.455,58,954,419.836,2.641,5,0.417,0.63,1.0,0.6280069906106504,0.7448769789596327,0.1868960318004249,0.22675793297238023,0.44663448358577207
EOS-2-35583,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cn1,ZFBGKKRGIOAEFS-UHFFFAOYSA-N,2,1,0.506,92,617,419.836,2.609,5,0.427,0.58,1.0,0.3635802892193818,0.4935062709889658,0.24665889932149956,0.2771228839695703,0.3452170858748544
EOS-2-35584,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cnn1,HVVASFUMFADLCI-UHFFFAOYSA-N,2,1,0.429,92,65,419.836,2.609,5,0.4,0.58,1.0,0.44488040572955934,0.4667603317113289,0.25730758686861765,0.27713145089438695,0.3615199438009732
EOS-2-35585,Cn1nccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)nn3)n12,QYZUMMXCZZGVFR-UHFFFAOYSA-N,2,1,0.385,53,670,419.836,2.609,5,0.4,0.63,1.0,0.35004454800904666,0.4135682955246385,0.22879686107874717,0.24439723116989925,0.30920173394558287
EOS-2-35586,Cn1cnnc1-c1nccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,DDVTVJGPCQXVTA-UHFFFAOYSA-N,2,1,0.549,36,32,419.836,2.609,5,0.427,0.71,1.0,0.6938952093756425,0.8197690357069426,0.12231855253238298,0.1921475567130423,0.4570325885820026
EOS-2-35587,Cc1cc(-c2nnnn2C)cc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,CVMKKHAQMRUFNT-UHFFFAOYSA-N,2,1,0.513,36,941,419.836,3.131,5,0.437,0.78,1.0,0.5822596120896443,0.7355133301350147,0.20420121993009388,0.26537763004591874,0.4468379480501679
EOS-2-35588,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5c[nH]nn5)ccn4)n23)nc1,WTPNOANFUOPGNP-UHFFFAOYSA-N,2,1,0.443,18,367,419.836,2.641,5,0.446,0.57,0.998,0.4957422383661161,0.48411692138989787,0.2644952367898019,0.3137893221849085,0.38953592968268114
EOS-2-35589,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)n1,SOGCOGFTRNNTQF-UHFFFAOYSA-N,2,1,0.407,51,283,419.836,2.609,5,0.4,0.65,1.0,0.43327222260297443,0.5162428894524022,0.17416558152285655,0.1812075937221575,0.3262220718250977
EOS-2-35590,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cccnc1,FKFOPVRGACWPFJ-UHFFFAOYSA-N,2,1,0.444,53,694,419.836,2.609,5,0.427,0.66,1.0,0.26273045027756836,0.307381262422041,0.17060174079912274,0.20926427249674456,0.23749443149886917
EOS-2-35591,Clc1nccnc1CCOc1cncc2nnc(-c3cccc(-c4c[nH]nn4)c3)n12,MDTWCQLYAZHOBP-UHFFFAOYSA-N,2,1,0.456,15,438,419.836,2.641,5,0.446,0.53,0.999,0.6083201973819478,0.6204252621478994,0.1936896031800425,0.2653861969707354,0.42195531492015625
EOS-2-35592,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2)n1,NNJMNYXECSKGCT-UHFFFAOYSA-N,2,1,0.407,46,565,419.836,2.609,5,0.4,0.71,0.997,0.4662291823726955,0.45365293674182716,0.30507675964635733,0.2980090466726064,0.3807419813583716
EOS-2-35593,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2)n1,LXCQIQOCQXSZEK-UHFFFAOYSA-N,2,1,0.402,7,94,419.836,2.609,5,0.427,0.69,1.0,0.3002964155986567,0.40868514837913783,0.21786546501267906,0.21803680350901242,0.28622095812487147
EOS-2-35594,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cn1,VYHNENIMIBOFEX-UHFFFAOYSA-N,2,1,0.512,36,185,419.836,2.609,5,0.427,0.69,1.0,0.4567969981495442,0.5437855527379891,0.19711637310670962,0.23558186553354807,0.35832019738194776
EOS-2-35595,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1,OSVFHBRYNHQYBZ-UHFFFAOYSA-N,2,1,0.568,15,499,419.836,2.641,5,0.446,0.78,1.0,0.8768247549859502,0.8275049688163937,0.345367007059146,0.39649441436501953,0.6115477863066274
EOS-2-35596,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cn1,HNRIPWCOFAXSRV-UHFFFAOYSA-N,2,1,0.374,51,924,419.836,2.609,5,0.427,0.68,1.0,0.3333818792406278,0.3176787060516757,0.23244637105064767,0.23559043245836475,0.279774347200329
EOS-2-35597,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)c1,JDSCIQAVBVXHLI-UHFFFAOYSA-N,2,1,0.43,51,823,419.836,2.609,5,0.427,0.69,1.0,0.5912977177712289,0.6059300253580975,0.1902285655541087,0.19465766568432596,0.39552849359194026
EOS-2-35598,COc1cc(Cl)ccc1-c1nnc2cncc(-c3cnnc(-c4cnn(C)c4)n3)n12,SVUDLNACFQODMS-UHFFFAOYSA-N,2,1,0.365,50,985,419.836,2.706,5,0.437,0.72,1.0,0.23290041806593106,0.3610787471729148,0.2610770337879515,0.28891953944212184,0.2859939346172298
EOS-2-35599,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cn2)n1,YFDXZDOBBWJGCQ-UHFFFAOYSA-N,2,1,0.422,7,94,419.836,2.609,5,0.427,0.64,1.0,0.3775700774450003,0.4935148379137825,0.21443012816119525,0.21539819066547872,0.3252283085463642
EOS-2-35600,COc1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)n5)n4C)n23)cn1,LBZCVMGZPFVZHQ-UHFFFAOYSA-N,2,1,0.341,50,311,419.836,2.706,5,0.409,0.73,1.0,0.24371187718456583,0.35633267082448083,0.07448084435610994,0.11005071619491467,0.1961440271400178
EOS-2-35601,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cc[nH]n5)c4)n23)nn1,QDWMYBSOTVODAT-UHFFFAOYSA-N,2,1,0.434,87,838,419.836,2.641,5,0.446,0.6,1.0,0.5546312795558906,0.6294719347543006,0.22167774655609623,0.27114317044753616,0.4192310328284559
EOS-2-35602,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccccc4Cl)n23)n1,PWJAHUKCALNZLF-UHFFFAOYSA-N,2,1,0.506,36,728,419.836,2.609,5,0.427,0.74,1.0,0.3681978616955658,0.5345504077856212,0.11340895072304845,0.20344733054622713,0.3049011376876157
EOS-2-35603,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cn1,ROFDMPCVMHCHQO-UHFFFAOYSA-N,2,1,0.588,15,499,419.836,2.641,5,0.417,0.74,1.0,0.8954406826125694,0.8663731067096155,0.3495048317455966,0.3809368788979508,0.623063874991433
EOS-2-35604,Cn1c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nnc1-c1cncnc1,VRQANZDNYNXRED-UHFFFAOYSA-N,2,1,0.57,36,404,419.836,2.609,5,0.427,0.75,1.0,0.5970461243232129,0.7355218970598314,0.11657014598039887,0.2154067575902954,0.4161362312384347
EOS-2-35605,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cocn5)c4)n23)cn1,LVPFTUYCQVOFNI-UHFFFAOYSA-N,2,1,0.494,87,76,419.832,3.511,5,0.385,0.65,1.0,0.6761188403810569,0.6011925159344802,0.5010622986772668,0.5032725652799671,0.5704115550681927
EOS-2-35606,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)c1,IPPSUCUWYLVCBJ-UHFFFAOYSA-N,2,1,0.553,58,304,419.832,3.511,5,0.411,0.71,0.999,0.6939037763004592,0.7578387362072511,0.3870964978411349,0.42203241724350626,0.5652178568980879
EOS-2-35607,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cn1,JDSSYASVYLIBFM-UHFFFAOYSA-N,2,1,0.588,72,889,419.832,3.511,5,0.385,0.68,1.0,0.9210557878144061,0.8694486327187992,0.49078198889726543,0.4872781166472483,0.6921411315194298
EOS-2-35608,Cc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4ccon4)cn3)n12,ARMHMXVOKJSRON-UHFFFAOYSA-N,2,1,0.418,46,62,419.832,3.777,5,0.424,0.69,1.0,0.5822681790144609,0.5073332876430676,0.5082842162977178,0.49029367418271536,0.5220448392844904
EOS-2-35609,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)no1,YJLGHHHLDCYHEI-UHFFFAOYSA-N,2,1,0.628,16,32,419.832,3.777,5,0.424,0.73,1.0,0.8390531834692618,0.838067987115345,0.3643427455280652,0.40263689945857034,0.6110252038928107
EOS-2-35610,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccon5)c4)n23)cn1,QPIOWJMMXNIVGS-UHFFFAOYSA-N,2,1,0.494,87,76,419.832,3.511,5,0.385,0.68,1.0,0.6056644506887807,0.5714824206702762,0.49751559180316635,0.5064765951614009,0.545284764580906
EOS-2-35611,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4nnc(C)o4)nc3)n12,QWESKTMLQKBIND-UHFFFAOYSA-N,2,1,0.378,96,985,419.832,3.874,5,0.432,0.79,0.999,0.4957508052909328,0.582216777465561,0.3833784524707011,0.38094544582276746,0.4605728702624906
EOS-2-35612,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)cc4)n23)ccn1,HMTGQIPWGNWGTI-UHFFFAOYSA-N,2,1,0.573,15,626,419.832,3.511,5,0.385,0.72,1.0,0.859425330683298,0.8159910218627922,0.5082927832225345,0.5032811322047838,0.6717475669933521
EOS-2-35613,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccccc5Cl)n34)cn2)no1,CXYAKJRBMUTSSJ-UHFFFAOYSA-N,2,1,0.536,16,214,419.832,3.777,5,0.424,0.7,1.0,0.5794667945994106,0.6781920361866904,0.3198290041806593,0.37123055308066616,0.4871795970118566
EOS-2-35614,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5conn5)cc4)n23)cn1,QTQZLMNTKOAZSC-UHFFFAOYSA-N,2,1,0.588,72,889,419.832,3.511,5,0.385,0.64,1.0,0.8160852580357755,0.7578473031320677,0.5289647728051539,0.5399647042697553,0.6607155095606881
EOS-2-35615,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)no1,XWJGATJFHAWGAA-UHFFFAOYSA-N,2,1,0.595,4,539,419.832,3.777,5,0.424,0.79,1.0,0.6667637584812556,0.8237783565211432,0.36803509012404906,0.402645466383387,0.5653056678774587
EOS-2-35616,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)o1,XMFSTLMBDUDGMT-UHFFFAOYSA-N,2,1,0.506,87,324,419.832,3.511,5,0.411,0.7,1.0,0.7457422383661161,0.7619594270440683,0.41575286135288875,0.42499657323007334,0.5871127749982865
EOS-2-35617,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)no1,MQTXLTTYQLSNEX-UHFFFAOYSA-N,2,1,0.562,16,19,419.832,3.777,5,0.424,0.78,1.0,0.7573504214927009,0.6390154890000685,0.4344544582276746,0.4283034062093071,0.5647809437324378
EOS-2-35618,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)no1,LRULWYKYRDZCPC-UHFFFAOYSA-N,2,1,0.483,72,506,419.832,3.777,5,0.424,0.66,1.0,0.5443938043999725,0.5390737440888219,0.39441265163456923,0.3965029812898362,0.4685957953533
EOS-2-35619,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)o1,YCHHCRFQAVDNBL-UHFFFAOYSA-N,2,1,0.524,4,390,419.832,3.777,5,0.424,0.71,1.0,0.5712511137002262,0.6685542457679391,0.43049653896237405,0.4026540333082037,0.5182389829346857
EOS-2-35620,Clc1cncc(CCOc2cncc3nnc(-c4cccc(-c5ncno5)c4)n23)c1,DTCRKJBFMCDECG-UHFFFAOYSA-N,2,1,0.552,35,619,419.832,3.511,5,0.411,0.69,1.0,0.6728205743266397,0.6587022822287711,0.470161400863546,0.4932749640189158,0.5737398053594681
EOS-2-35621,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ncno5)c4)n23)cn1,QPECDKKZBNMEGL-UHFFFAOYSA-N,2,1,0.561,15,669,419.832,3.511,5,0.385,0.63,1.0,0.6939123432252758,0.6881125351243917,0.4735025015420465,0.47816290864231376,0.5834225721335069
EOS-2-35622,Cc1onc(-c2cnccn2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ISRRBWMDZBDFFH-UHFFFAOYSA-N,2,1,0.64,16,540,419.832,3.777,5,0.424,0.74,1.0,0.794745048317456,0.8237869234459598,0.2978205743266397,0.37455451990953326,0.5727267664998972
EOS-2-35623,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2)o1,VXWHMYVXUKSLOX-UHFFFAOYSA-N,2,1,0.58,72,22,419.832,3.777,5,0.424,0.74,1.0,0.5686210677815091,0.6541532451511205,0.40517270920430404,0.40913919539442123,0.5092715543828388
EOS-2-35624,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1,VTPJPLUSGKEYOQ-UHFFFAOYSA-N,2,1,0.583,72,889,419.832,3.511,5,0.411,0.68,1.0,0.8881416626687684,0.8415204578164622,0.42698409978754026,0.44729627852785964,0.6509856247001576
EOS-2-35625,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)o1,VKSMYGYVSISDKG-UHFFFAOYSA-N,2,1,0.568,4,22,419.832,3.777,5,0.424,0.75,1.0,0.6395380714138853,0.6881211020492084,0.4015317661572202,0.39651154821465284,0.5314256219587417
EOS-2-35626,Clc1ncccc1CCOc1cncc2nnc(-c3cccc(-c4ncno4)c3)n12,KSWKFQXDDAHUCE-UHFFFAOYSA-N,2,1,0.536,15,438,419.832,3.511,5,0.385,0.66,1.0,0.715261119868412,0.6782006031115071,0.43446302515249124,0.46294805016791174,0.5727181995750805
EOS-2-35627,COc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(C)o5)nc4)n23)cc(Cl)n1,BSQRMQANFNTTOP-UHFFFAOYSA-N,2,1,0.333,82,478,419.832,3.874,5,0.404,0.74,1.0,0.46371907340141183,0.4841254883147145,0.43447159207730796,0.3616955657597149,0.4360029298882873
EOS-2-35628,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)ccn1,UERCCARGZPEVMU-UHFFFAOYSA-N,2,1,0.58,72,889,419.832,3.511,5,0.385,0.71,1.0,0.9197279144678226,0.8750514015489,0.5045062024535673,0.5032896991296004,0.7006438043999726
EOS-2-35629,COc1ccc(Cl)cc1-c1nnc2cncc(-c3cncc(-c4nnc(C)o4)c3)n12,UCLCSRFWTVSQTC-UHFFFAOYSA-N,2,1,0.369,82,859,419.832,3.874,5,0.432,0.76,1.0,0.3933674868069358,0.4316273730381742,0.44183914741964225,0.42500514015489,0.42295978685491054
EOS-2-35630,Cc1ncoc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cn1,WJBUVHNHYBRTPP-UHFFFAOYSA-N,2,1,0.542,4,390,419.832,3.777,5,0.424,0.68,1.0,0.6280155575354671,0.6635682955246385,0.38710506476595163,0.3712391200054828,0.512482009457885
EOS-2-35631,Clc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cocn5)c4)n23)n1,JVCBNIHSJUTHJC-UHFFFAOYSA-N,2,1,0.489,87,173,419.832,3.511,5,0.385,0.66,1.0,0.6056730176135974,0.5714909875950929,0.40154033308203685,0.4314217668425742,0.5025315262833253
EOS-2-35632,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cn4)n23)n1,MVJZWBGWPQNQEO-UHFFFAOYSA-N,2,1,0.467,11,769,419.832,3.511,5,0.385,0.67,1.0,0.5882907271605784,0.6059385922829141,0.34166609553834554,0.37456308683434997,0.477614625454047
EOS-2-35633,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5cnoc5)cn4)n23)ccc1Cl,TYFOVRSRNHKHOE-UHFFFAOYSA-N,2,1,0.519,51,969,419.832,3.777,5,0.424,0.66,1.0,0.70007196216846,0.7260982797614968,0.5525495168254403,0.5466554725515729,0.6313438078267425
EOS-2-35634,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)nc1,SRGPRARMGYWUNO-UHFFFAOYSA-N,2,1,0.547,87,307,419.832,3.511,5,0.411,0.72,1.0,0.7366013295867315,0.7535724076485505,0.4086423137550545,0.42501370707970665,0.5809574395175108
EOS-2-35635,Nc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4nnco4)cc3)n12,WMKPEULPYVRETN-UHFFFAOYSA-N,2,1,0.53,43,909,419.832,3.656,5,0.429,0.73,1.0,0.7029504489068604,0.6294805016791173,0.5355184702899047,0.5630011651017751,0.6077376464944144
EOS-2-35636,Clc1cccc(CCOc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)c1,NZTKBXSXJLOXEQ-UHFFFAOYSA-N,2,1,0.595,84,73,419.832,3.511,5,0.411,0.74,1.0,0.6606469741621548,0.6635768624494551,0.4907905558220821,0.539973271194572,0.588746915907066
EOS-2-35637,Oc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,DSUCTRIPCFPLOB-UHFFFAOYSA-N,2,1,0.553,4,32,419.832,3.31,5,0.466,0.67,1.0,0.5686296347063258,0.6978188609416763,0.6250942361729833,0.5973459666917963,0.6222221746281954
EOS-2-35638,Cc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cnco1,ZILUGKFULWZYTH-UHFFFAOYSA-N,2,1,0.444,46,122,419.832,3.777,5,0.396,0.72,1.0,0.5341734630936879,0.5115653485025016,0.37966040710026727,0.3712476869302995,0.44916172640668905
EOS-2-35639,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4noc(C)n4)cn3)n12,HEFFCJPRSWHHSN-UHFFFAOYSA-N,2,1,0.374,82,985,419.832,3.874,5,0.432,0.79,1.0,0.5110427660886848,0.5625042834624083,0.36435131245288194,0.36170413268453155,0.44990062367212663
EOS-2-35640,Clc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(-c2ncco2)n1,SQSOPOKEZXOTRJ-UHFFFAOYSA-N,2,1,0.57,75,583,419.832,3.511,5,0.385,0.63,1.0,0.6512576245630869,0.6107960386539648,0.3833870193955178,0.3906517716400521,0.5090231135631554
EOS-2-35641,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cc1,CZUDQFIXUQEOHM-UHFFFAOYSA-N,2,1,0.703,84,166,419.832,3.511,5,0.411,0.77,1.0,0.7919008292783223,0.8159995887876088,0.4305051058871907,0.4781714755671304,0.629144249880063
EOS-2-35642,Clc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)ccn1,VHWGYWFWJISKAH-UHFFFAOYSA-N,2,1,0.495,87,76,419.832,3.511,5,0.385,0.66,1.0,0.6968936330614762,0.6158933589198822,0.45945274484271126,0.45982968953464465,0.5580173565896785
EOS-2-35643,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncco5)c4)n23)cn1,FXDIGTJBXUGPCT-UHFFFAOYSA-N,2,1,0.577,75,583,419.832,3.511,5,0.385,0.62,1.0,0.7720683983277363,0.6108046055787815,0.40154890000685356,0.39960420807346997,0.5460065279967103
EOS-2-35644,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)nc3)n12,PWROVBJQSBXGSG-UHFFFAOYSA-N,2,1,0.662,19,73,419.832,3.511,5,0.411,0.77,1.0,0.7276745939277637,0.7578558700568844,0.4305136728120074,0.48728668357206495,0.6008327050921801
EOS-2-35645,Clc1ccc(-c2nnc3cncc(OCCc4cnoc4)n23)c(-c2ccncn2)c1,YTBBKRKFTTYSES-UHFFFAOYSA-N,2,1,0.548,35,619,419.832,3.511,5,0.411,0.68,1.0,0.7152696867932287,0.792063600849839,0.487569392091015,0.5301127407305873,0.6312538551161675
EOS-2-35646,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)o1,FDVVTEGBCMFZBK-UHFFFAOYSA-N,2,1,0.477,75,43,419.832,3.777,5,0.396,0.72,1.0,0.6138972654375985,0.5919488040572956,0.5045147693783839,0.45658282502912756,0.5417359159756014
EOS-2-35647,Cc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)no1,ZLMCSMCWELINMR-UHFFFAOYSA-N,2,1,0.608,16,256,419.832,3.777,5,0.424,0.78,1.0,0.7864008635460216,0.8119902679734082,0.4194109382496059,0.4535415667192105,0.6178359091220617
EOS-2-35648,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)no1,GJKLJAVJYHULPO-UHFFFAOYSA-N,2,1,0.588,4,921,419.832,3.777,5,0.424,0.73,1.0,0.4909104927695154,0.5390823110136386,0.3569837571105476,0.3712562538551162,0.43955820368720444
EOS-2-35649,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cnco5)c4)n23)cn1,VJCQBGHQBQZVDF-UHFFFAOYSA-N,2,1,0.59,75,496,419.832,3.511,5,0.385,0.7,1.0,0.7307929545610308,0.6012010828592969,0.4839284490439312,0.47523302035501336,0.572788876704818
EOS-2-35650,Clc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccoc5)n34)cn2)cn1,QFQWAHMIRBACJT-UHFFFAOYSA-N,2,1,0.517,65,434,419.832,3.511,5,0.385,0.7,1.0,0.7603745459529847,0.7790761428277705,0.45610307723939414,0.43467719827290796,0.6075577410732643
EOS-2-35651,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)o1,MOLAWUUKHZVIDG-UHFFFAOYSA-N,2,1,0.588,4,32,419.832,3.777,5,0.424,0.77,1.0,0.670002056061956,0.8575577410732643,0.39442121855938594,0.41860564731683914,0.5851466657528613
EOS-2-35652,Clc1ncccc1CCOc1cncc2nnc(-c3cncc(-c4ncco4)c3)n12,KDYORGJAKDIGMM-UHFFFAOYSA-N,2,1,0.484,87,76,419.832,3.511,5,0.385,0.71,1.0,0.7029590158316771,0.5919573709821122,0.4051812761291207,0.4283119731341238,0.5321024090192584
EOS-2-35653,Clc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)n1,DYPJWCYZNWFKHU-UHFFFAOYSA-N,2,1,0.489,87,173,419.832,3.511,5,0.385,0.73,1.0,0.6056815845384141,0.5768881502295936,0.34537557398396274,0.3745716537591666,0.4756292406277843
EOS-2-35654,Oc1ccc(-c2nnc3cncc(OCc4ncnn4-c4ccc(Cl)cc4)n23)cc1,BXVBKPLYRHBLKP-UHFFFAOYSA-N,2,1,0.5,43,612,419.832,3.31,5,0.466,0.71,1.0,0.6335669248166678,0.620433829072716,0.4305222397368241,0.5064851620862175,0.5477520389281063
EOS-2-35655,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)n1,IPFWBCOCVMCTFU-UHFFFAOYSA-N,2,1,0.573,15,922,419.832,3.511,5,0.385,0.74,1.0,0.8390617503940785,0.7666455349187855,0.3720358440134329,0.40266260023302036,0.5951014323898294
EOS-2-35656,Cc1cncc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)o5)n34)c2)n1,ZROKBLKKMDDHBE-UHFFFAOYSA-N,2,1,0.466,2,858,419.832,3.777,5,0.424,0.67,1.0,0.6196199712151326,0.6344321842231513,0.497524158727983,0.47524158727983,0.5567044753615242
EOS-2-35657,Clc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)c1,LIURZMYHNQFGIF-UHFFFAOYSA-N,2,1,0.511,87,307,419.832,3.511,5,0.411,0.68,1.0,0.6542903159481872,0.5872798300322116,0.38339558632033444,0.4186142142416558,0.5108949866355972
EOS-2-35658,Cc1nc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,SJAAORDSNDXJSD-UHFFFAOYSA-N,2,1,0.524,72,909,419.832,3.777,5,0.396,0.7,1.0,0.8571208279076142,0.697827427866493,0.4940117195531492,0.45355013364402713,0.6256275272428209
EOS-2-35659,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccco5)c4)n23)nn1,HMLPWWXBKDQJNG-UHFFFAOYSA-N,2,1,0.517,58,583,419.832,3.511,5,0.411,0.7,1.0,0.6307655404016175,0.562512850387225,0.2978291412514564,0.3485196353916798,0.45990679185799466
EOS-2-35660,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ncco5)c4)n23)n1,XDPWAWAXHJFURK-UHFFFAOYSA-N,2,1,0.547,24,583,419.832,3.511,5,0.385,0.65,1.0,0.639546638338702,0.5714995545199095,0.305085326571174,0.3292012199300939,0.46133318483996977
EOS-2-35661,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)o1,MZPCDOQVZFNIOG-UHFFFAOYSA-N,2,1,0.588,72,22,419.832,3.777,5,0.396,0.76,1.0,0.7805410869714208,0.6390240559248852,0.4594613117675279,0.42832054005894044,0.5768367486806936
EOS-2-35662,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)o1,VVTFKWPOGJZNTJ-UHFFFAOYSA-N,2,1,0.542,72,22,419.832,3.777,5,0.424,0.75,1.0,0.7748012473442533,0.6635854293742718,0.452676307312727,0.4438695086011925,0.5837331231581112
EOS-2-35663,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)cn1,XXFUZJIANVEWSC-UHFFFAOYSA-N,2,1,0.537,58,56,419.832,3.511,5,0.385,0.68,1.0,0.7603831128778014,0.7920721677746556,0.4488211911452265,0.4473048454526763,0.6121453293125899
EOS-2-35664,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccco5)nn4)n23)n1,YZAFTUWYOQCUJQ-UHFFFAOYSA-N,2,1,0.451,54,411,419.832,3.511,5,0.385,0.66,0.89,0.5766654101843602,0.529890000685354,0.2539664861901172,0.3260057569734768,0.42163191350832707
EOS-2-35665,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)on1,ACCXBVCZUKJMKL-UHFFFAOYSA-N,2,1,0.554,55,879,419.832,3.777,5,0.396,0.78,1.0,0.5794753615242273,0.5966948804057296,0.4805188129668974,0.44387807552600916,0.5251417826057159
EOS-2-35666,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)o1,XADAHRHSMAXYQN-UHFFFAOYSA-N,2,1,0.517,75,496,419.832,3.511,5,0.411,0.68,1.0,0.7184994174491125,0.6587108491535878,0.49753272565279966,0.49328353094373245,0.5920066307998081
EOS-2-35667,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,HBQDPBCKFMMUJF-UHFFFAOYSA-N,2,1,0.435,45,533,419.822,5.452,5,0.39,0.84,1.0,0.39337605373175244,0.7707576588307861,0.9665461585909122,0.9823435679528476,0.7782558597765745
EOS-2-35668,Fc1cccc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1F,RSFFDTQAEURLJA-UHFFFAOYSA-N,2,1,0.429,45,533,419.822,5.452,5,0.39,0.82,1.0,0.4787197587553972,0.7956188746487561,0.9785741210335138,0.989865327941882,0.8106945205948873
EOS-2-35669,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cc(Cl)ccc5F)cn4)n23)cc1,YHUGERWJDRLTEE-UHFFFAOYSA-N,2,1,0.462,45,533,419.822,5.452,5,0.39,0.82,1.0,0.43121616064697416,0.7619679939688849,0.9718148173531629,0.9857189363306148,0.7876794770749092
EOS-2-35670,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)c1,SVRSTXPKPYPOIR-UHFFFAOYSA-N,2,1,0.384,83,558,419.822,5.452,5,0.39,0.81,1.0,0.444888972654376,0.7707662257556027,0.9739822493317799,0.9868326365567816,0.7941175210746351
EOS-2-35671,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cc2)cn1,QXMQMDIFEYWCGD-UHFFFAOYSA-N,2,1,0.389,83,558,419.822,5.452,5,0.365,0.85,1.0,0.4761068466863135,0.8160081557124255,0.9791995065451305,0.9879377698581318,0.8148130697005003
EOS-2-35672,Fc1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5Cl)cn4)n23)cc1,PLHFFFKWUYFXBR-UHFFFAOYSA-N,2,1,0.357,83,533,419.822,5.452,5,0.39,0.89,1.0,0.34537557398396274,0.5715081214447262,0.9693989445548626,0.985170653142348,0.7178633232814748
EOS-2-35673,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cnc1F,LBBDJXPHZPATMW-UHFFFAOYSA-N,2,1,0.463,83,558,419.822,5.452,5,0.365,0.86,1.0,0.44489753957919265,0.8237954903707765,0.9760725789870468,0.9857275032554315,0.8076232780481117
EOS-2-35674,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4c(F)cccc4Cl)n23)nc1,VUXZSGDOWQNOTP-UHFFFAOYSA-N,2,1,0.431,45,405,419.822,5.452,5,0.39,0.77,1.0,0.35673531629086425,0.5967034473305463,0.9583133438420944,0.9799191282297307,0.7229178089233089
EOS-2-35675,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1F,LWHITSGAXHHSEV-UHFFFAOYSA-N,2,1,0.389,83,558,419.822,5.452,5,0.365,0.85,1.0,0.46623774929751216,0.7402594064834487,0.9788396957028305,0.9879463367829484,0.7933207970666849
EOS-2-35676,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c(F)c1,XNAOGVRYWIWXIZ-UHFFFAOYSA-N,2,1,0.462,83,533,419.822,5.452,5,0.39,0.86,1.0,0.4737338085120965,0.8415290247412789,0.9718233842779795,0.9851792200671647,0.81806635939963
EOS-2-35677,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1F,JRRHSJMDPODASM-UHFFFAOYSA-N,2,1,0.435,83,533,419.822,5.452,5,0.39,0.87,1.0,0.4522822287711603,0.8238040572955931,0.9733140291960798,0.9848793776985814,0.8085699232403536
EOS-2-35678,Fc1ccccc1-c1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,BSFIPIALURBCJW-UHFFFAOYSA-N,2,1,0.441,83,533,419.822,5.452,5,0.39,0.79,1.0,0.4449061065040093,0.8119988348982249,0.9618172160921116,0.9806387499143308,0.7998402268521692
EOS-2-35679,Fc1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(Cl)c(F)c5)c4)n23)cc1,WATPUDOZZIJIOJ-UHFFFAOYSA-N,2,1,0.441,45,533,419.822,5.452,5,0.39,0.86,1.0,0.44036563635117537,0.7448855458844493,0.9801247344253307,0.9905335480775821,0.7889773661846343
EOS-2-35680,Fc1cccc(-c2cncc3nnc(-c4cc(F)cnc4-c4cccc(Cl)c4)n23)c1,BXOODWNMFFPLPD-UHFFFAOYSA-N,2,1,0.42,45,533,419.822,5.452,5,0.39,0.82,1.0,0.3567438832156809,0.5487029675827565,0.9456257281886095,0.9762524844081968,0.706831265848811
EOS-2-35681,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cccc(-c4ncccc4F)c3)n12,MVGIOJBYIORIIR-UHFFFAOYSA-N,2,1,0.391,45,533,419.822,5.452,5,0.39,0.81,1.0,0.42433692001918993,0.744894112809266,0.9603008703995614,0.9785912548831471,0.7770307895277911
EOS-2-35682,Fc1ccc(-c2cccc(-c3cncc4nnc(-c5cccc(F)c5Cl)n34)c2)cn1,WWKZGCKCHPKHAD-UHFFFAOYSA-N,2,1,0.351,83,558,419.822,5.452,5,0.365,0.78,1.0,0.3635888561441985,0.5822253443903777,0.9736652731135631,0.984887944623398,0.7260918545678843
EOS-2-35683,Cc1ccc(-c2nnc3cncc(-c4cnnc(-c5cnc(Cl)c(F)c5)n4)n23)nc1,KLOYOHUNXQLJKS-UHFFFAOYSA-N,2,1,0.29,50,844,419.811,3.201,5,0.41,0.63,0.638,0.28958775957782196,0.41357686244945513,0.3720444109382496,0.4722688643684463,0.3868694743334933
EOS-2-35684,Cc1nc(-c2cnccn2)nc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,LTJRBRHNQINHFD-UHFFFAOYSA-N,2,1,0.407,50,261,419.811,3.201,5,0.438,0.66,1.0,0.3821276814474676,0.591965937906929,0.24307792474813242,0.3809540127475841,0.3995313892125283
EOS-2-35685,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)cc1Cl,RTJPDXMDWKPBEQ-UHFFFAOYSA-N,2,1,0.531,13,110,419.807,4.228,5,0.43,0.69,1.0,0.7634929065862518,0.7169231032828456,0.7965526694537729,0.8258344184771435,0.7757007744500035
EOS-2-35686,Fc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)c1,VNOITEKCMZNKBH-UHFFFAOYSA-N,2,1,0.407,13,110,419.807,4.228,5,0.43,0.72,1.0,0.6483020355013365,0.6733602905900897,0.8242067027619766,0.8527602631759303,0.7496573230073332
EOS-2-35687,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cccc(-c4cncnn4)c3)n12,ONYDXSKFMPJXNI-UHFFFAOYSA-N,2,1,0.471,13,145,419.807,4.228,5,0.43,0.77,1.0,0.7427438146802824,0.7535809745733671,0.8331677061202111,0.8611558494962648,0.7976620862175314
EOS-2-35688,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)c(Cl)c1,HWJKAODJSPFAEE-UHFFFAOYSA-N,2,1,0.47,13,995,419.807,4.228,5,0.43,0.72,1.0,0.6196285381399493,0.6978359947913098,0.8632119114522651,0.8807655404016175,0.7653604961962854
EOS-2-35689,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)c(Cl)c1,WXDWQANSROGRDQ-UHFFFAOYSA-N,2,1,0.4,13,110,419.807,4.228,5,0.43,0.72,1.0,0.6452350764169693,0.6439414707696526,0.8223219793023097,0.8508841066410802,0.740595658282503
EOS-2-35690,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccnc(-c4cncnc4)c3)n12,BYWGATRPZOOTRM-UHFFFAOYSA-N,2,1,0.482,13,110,419.807,4.228,5,0.43,0.69,1.0,0.7246847371667466,0.7707747926804195,0.834769721060928,0.8492306901514632,0.7948649852648892
EOS-2-35691,Fc1cncc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)nn2)c1,GMBFMKNIZKAIBQ-UHFFFAOYSA-N,2,1,0.506,54,251,419.807,4.228,5,0.43,0.82,0.995,0.619637105064766,0.7124340346789116,0.7059403056678775,0.8028921938181071,0.7102259098074155
EOS-2-35692,Oc1cccc(-c2ncnc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)c1,ZRHOMMZTXQLLFW-UHFFFAOYSA-N,2,1,0.366,29,704,419.807,3.808,5,0.474,0.73,0.999,0.5133729696388184,0.7666541018436023,0.6369337262696183,0.7375008566924817,0.6636154136111302
EOS-2-35693,Fc1ccc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)cc1-c1cncnc1,RFZTWXZTTBZXCU-UHFFFAOYSA-N,2,1,0.453,13,284,419.807,4.228,5,0.402,0.79,1.0,0.8728411349461997,0.8937101637996024,0.8645911863477486,0.8750856692481667,0.8765570385854293
EOS-2-35694,Fc1ncc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cn2)cn1,SJHFJOWJYCLPOF-UHFFFAOYSA-N,2,1,0.59,13,995,419.807,4.228,5,0.402,0.77,1.0,0.7120742238366116,0.8545079158385306,0.7631673634432184,0.7918665615790556,0.780404016174354
EOS-2-35695,Fc1nc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1cncnc1,FVNZUVCTEPCEDW-UHFFFAOYSA-N,2,1,0.506,13,573,419.807,4.228,5,0.402,0.74,1.0,0.7396511548214653,0.7790847097525873,0.7700980056199027,0.8199575080529093,0.7771978445617163
EOS-2-35696,Fc1cc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)ccc1Cl,NWWPCIDBGJDHLH-UHFFFAOYSA-N,2,1,0.524,13,573,419.807,4.228,5,0.43,0.84,1.0,0.8004249194709068,0.7491604413679666,0.8397042697553286,0.8594595983825646,0.8121873072441916
EOS-2-35697,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cncnc4)cn3)n12,PFSVDTSPZNEJGR-UHFFFAOYSA-N,2,1,0.409,13,110,419.807,4.228,5,0.43,0.83,1.0,0.6910081557124255,0.735530463984648,0.8223305462271263,0.8455897471043794,0.7736147282571448
EOS-2-35698,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)nc1,ZNFVVGGZKDUSMS-UHFFFAOYSA-N,2,1,0.507,34,706,419.807,4.228,5,0.43,0.77,1.0,0.8594338976081146,0.9570797066684943,0.7082619422931944,0.7731049962305531,0.8244701357000891
EOS-2-35699,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,MZNHMALKXPXCSX-UHFFFAOYSA-N,2,1,0.419,13,110,419.807,4.228,5,0.43,0.74,1.0,0.7120827907614283,0.7491690082927832,0.772565279967103,0.8029007607429237,0.7591794599410595
EOS-2-35700,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)c(Cl)c1,AUYVPWUNHAFFKB-UHFFFAOYSA-N,2,1,0.404,13,110,419.807,4.228,5,0.43,0.76,1.0,0.6056901514632308,0.6012096497841135,0.8257744500034268,0.8558871907340141,0.7221403604961963
EOS-2-35701,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)cnn4)n23)cc1,CKWOTEDJQXZYGH-UHFFFAOYSA-N,2,1,0.494,13,251,419.807,4.228,5,0.402,0.74,1.0,0.6250342676992666,0.6294890686039339,0.7880200123363718,0.8437307244191625,0.7215685182646838
EOS-2-35702,Fc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)cn2)cn1,INYIVOHFOSJJRS-UHFFFAOYSA-N,2,1,0.448,13,110,419.807,4.228,5,0.43,0.76,1.0,0.712091357686245,0.8238126242204098,0.7189363306147625,0.7632873003906517,0.7545319032280173
EOS-2-35703,Clc1ccc(-c2ncnc(COc3cncc4nnc(-c5ccncn5)n34)n2)nn1,KEHWXLXMSNVPFQ-UHFFFAOYSA-N,2,1,0.361,31,839,419.796,1.456,5,0.408,0.62,0.843,0.44281577684874235,0.49352340483859913,0.03133781097937084,0.04861729833458982,0.2540735727503255
EOS-2-35704,Cc1c(Cl)cccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)cn3)n12,RPZZPQXPRNXASA-UHFFFAOYSA-N,2,1,0.549,68,255,419.794,4.746,4,0.478,0.77,1.0,0.7664913302720855,0.8778699198135838,0.9899509971900486,0.9796021520115139,0.9034785998218079
EOS-2-35705,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,YAZUIEWWBVXCPS-UHFFFAOYSA-N,2,1,0.658,48,240,419.794,4.48,4,0.446,0.82,1.0,0.9883147145500651,0.9845966691796313,0.9903622095812488,0.9812127338770475,0.9861215817969982
EOS-2-35706,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,WKRHZAMZMFOYSM-UHFFFAOYSA-N,2,1,0.633,48,305,419.794,4.48,4,0.477,0.82,1.0,0.9837571105475978,0.9823264341032143,0.987106778150915,0.9762610513330136,0.9823628435336852
EOS-2-35707,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)nc5)nn4)n23)cc1,CRGIHXXSVCXNEP-UHFFFAOYSA-N,2,1,0.468,22,997,419.792,2.996,5,0.247,0.72,1.0,0.05526523199232403,0.10910835446508121,0.29783770817627303,0.21804537043382907,0.17006416626687684
EOS-2-35708,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4noc(-c5ccccc5Cl)n4)n23)cc1,PAGGOPGHIUDERX-UHFFFAOYSA-N,2,1,0.486,96,837,419.788,4.07,5,0.315,0.87,1.0,0.2841477623192379,0.2713744774175862,0.32339284490439313,0.2831282982660544,0.2905108457268179
EOS-2-35709,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)ncn2)nn1,ULKYWRQUPMVUHC-UHFFFAOYSA-N,2,1,0.43,46,726,480.261,2.914,5,0.374,0.65,0.601,0.47611541361113013,0.44907819888972655,0.31235864574052497,0.32282742786649304,0.3900949215269687
EOS-2-35710,Fc1cccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Br)cc5F)n34)nc2)c1,JKNXHVYPWILEFD-UHFFFAOYSA-N,2,1,0.416,57,236,480.272,5.686,5,0.331,0.84,1.0,0.7366098965115482,0.8310516756904941,0.947878829415393,0.9571482420670276,0.8681721609211157
EOS-2-35711,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)on2)nnc1Cl,VIBPSAKBKOMGMN-UHFFFAOYSA-N,2,1,0.484,36,772,480.275,3.697,5,0.366,0.64,0.991,0.7890566102391885,0.8514580906037968,0.35321431019121374,0.46916763758481256,0.6157241621547529
EOS-2-35712,Cn1nc(-c2nnc3cnccn23)cc1Oc1cncc2nnc(-c3ccc(Cl)nc3Cl)n12,YVBLDQOHENOURP-UHFFFAOYSA-N,2,1,0.366,92,502,480.279,3.124,6,0.35,0.59,1.0,0.44282434377355906,0.4983808512096498,0.15189157699952024,0.2831368651908711,0.34405840929340004
EOS-2-35713,COc1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)ccc1-c1ncno1,UJWNPYFLAOBLLM-UHFFFAOYSA-N,2,1,0.523,4,248,480.282,3.586,5,0.36,0.72,1.0,0.5942190391337125,0.5210232335001028,0.4269926667123569,0.30752690014392436,0.46244045987252413
EOS-2-35714,COc1nc(-c2nnc3cncc(OCc4cccc(Br)n4)n23)ccc1-c1ccon1,GRYXTFJRYGPFRP-UHFFFAOYSA-N,2,1,0.462,49,122,480.282,3.586,5,0.337,0.57,1.0,0.4312247275717908,0.39441265163456923,0.23969398944554862,0.17004489068603934,0.308844064834487
EOS-2-35715,COc1cc(-c2nnc3cncc(OCc4cncc(Br)c4)n23)ccc1-c1ncon1,MZLRZDHZNHUSGP-UHFFFAOYSA-N,2,1,0.506,16,375,480.282,3.586,5,0.36,0.68,1.0,0.7834966760331711,0.5579809471592078,0.44882975807004316,0.33591768898636143,0.5315562675621959
EOS-2-35717,Clc1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)cc1,KOGNPMFGKHEEFF-UHFFFAOYSA-N,2,1,0.761,23,370,419.699,5.373,4,0.436,0.81,1.0,0.9976183949009664,0.9989377013227332,0.9618257830169282,0.9854447947364814,0.9859566684942773
EOS-2-35719,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccc5Br)n34)c2)cn1,QAHGEMKAZPGQHO-UHFFFAOYSA-N,2,1,0.494,2,884,480.301,4.067,5,0.377,0.83,1.0,0.5292474813241039,0.4935319717634158,0.8067987115345076,0.7684017545062024,0.6494949797820574
EOS-2-35723,Clc1ccc(OCCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)ncn4)n23)cc1,SWDMTVWTULAFKY-UHFFFAOYSA-N,2,1,0.44,44,481,480.315,4.408,5,0.316,0.72,0.412,0.7396597217462819,0.6635939962990884,0.6576314166266877,0.7238794462339798,0.6961911452265095
EOS-2-35724,COc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccc2Cl)n1,ZPIHWRQXDBPNGQ-UHFFFAOYSA-N,2,1,0.529,4,71,480.315,4.538,5,0.349,0.65,1.0,0.7544805016791173,0.8448615584949627,0.7082705092180112,0.7107035158659447,0.7545790213145089
EOS-2-35725,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cnncc1Cl,POQQACADCNEGML-UHFFFAOYSA-N,2,1,0.483,16,375,480.315,4.538,5,0.349,0.64,1.0,0.8457439517510794,0.7355390309094647,0.8314971557809608,0.8115876225070249,0.8060919402371325
EOS-2-35726,COc1cc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)ccc1Cl,XSMSRPVZRANUBW-UHFFFAOYSA-N,2,1,0.452,16,401,480.315,4.538,5,0.327,0.78,1.0,0.7779538756767871,0.8448701254197793,0.7446285381399493,0.7320694263587143,0.7748804913988075
EOS-2-35727,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)nc(Cl)c5)n34)cc2)n[nH]1,IDLLPLBNJNSUTR-UHFFFAOYSA-N,2,1,0.553,91,273,480.315,3.865,5,0.368,0.7,1.0,0.870690836817216,0.7402679734082653,0.6767870605167569,0.7213950380371462,0.7522852271948461
EOS-2-35728,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(Cl)c2)cc1=O,DSSQLVNZJVXIJV-UHFFFAOYSA-N,2,1,0.472,16,605,480.315,3.833,5,0.377,0.74,1.0,0.5292560482489206,0.5529864299910904,0.7082790761428278,0.7606829552463847,0.6378011274073059
EOS-2-35729,COc1cncc(-c2cccc(-c3nnc4cncc(OCc5nc(Cl)ccc5Cl)n34)c2)n1,QCJJLVZUVBJWEH-UHFFFAOYSA-N,2,1,0.447,97,55,480.315,4.538,5,0.327,0.74,1.0,0.7000805290932767,0.7029761496813104,0.6306541703790007,0.6362740730587348,0.6674962305530806
EOS-2-35730,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccncc5Cl)nn4)n23)ccc1Cl,CNAMATPTMJCSKY-UHFFFAOYSA-N,2,1,0.489,4,67,480.315,4.538,5,0.349,0.67,0.999,0.7152782537180453,0.80005654170379,0.7421698307175656,0.7479011034199163,0.7513514323898293
EOS-2-35731,COc1cc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)n4)n23)ccc1Cl,YWJIAEGAHUNEKB-UHFFFAOYSA-N,2,1,0.5,4,268,480.315,4.538,5,0.349,0.67,1.0,0.7092814063463779,0.8275135357412103,0.6682972380234391,0.662009115208005,0.7167753238297581
EOS-2-35732,O=c1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)cn2)[nH]1,HMRLWAHCCTUVHO-UHFFFAOYSA-N,2,1,0.544,84,672,480.315,3.865,5,0.393,0.62,1.0,0.6168956891234323,0.6489274210129532,0.7161178123500788,0.7780738126242204,0.6900036837776712
EOS-2-35733,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncccc1Cl,GSOPWWXZEDHJPR-UHFFFAOYSA-N,2,1,0.449,73,196,480.315,4.538,5,0.349,0.7,1.0,0.8639829346857651,0.7214293057364128,0.6044136796655473,0.612800699061065,0.7006566547871975
EOS-2-35734,COc1cc(-c2nnc3cncc(OCc4nncc(-c5cccc(Cl)c5)n4)n23)ccc1Cl,IBPSNHQAVRMELQ-UHFFFAOYSA-N,2,1,0.457,34,67,480.315,4.538,5,0.349,0.68,1.0,0.8482454937975464,0.8984048385991364,0.6630371461860051,0.7238880131587965,0.7833938729353711
EOS-2-35735,COc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncc4Cl)n23)ccc1Cl,YAYQTYFOZIJLTP-UHFFFAOYSA-N,2,1,0.506,16,817,480.315,4.538,5,0.349,0.71,1.0,0.9048985676101706,0.8803714618600507,0.8366201768213282,0.8115961894318415,0.8583715989308478
EOS-2-35736,Cc1ncncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)nc(Cl)n1,RBYVBXFIMXQYPJ-UHFFFAOYSA-N,2,1,0.434,31,194,480.319,3.67,5,0.336,0.64,0.985,0.6083287643067644,0.5715166883695428,0.26829895140840243,0.32920978685491054,0.4443385477349051
EOS-2-35737,CCc1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1ccnc(Cl)n1,ILVUGKBYBJVVOS-UHFFFAOYSA-N,2,1,0.343,46,690,480.319,3.882,5,0.264,0.61,0.918,0.5599170721677746,0.5919745048317456,0.17417414844767323,0.2267664998971969,0.3882080563360976
EOS-2-35738,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ncc(Cl)cn1,BMRJBTRYTYPORH-UHFFFAOYSA-N,2,1,0.364,7,94,480.319,3.882,5,0.357,0.59,0.998,0.579483928449044,0.5967120142553629,0.15471866218902064,0.22981632513193065,0.39018273250633956
EOS-2-35739,Cc1ncc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(-c2cnc(Cl)nc2)n1,YAZXRIVIAUYOAR-UHFFFAOYSA-N,2,1,0.474,87,631,480.319,3.67,5,0.336,0.63,1.0,0.8110650400932081,0.7535895414981838,0.27599204989377013,0.3452470701117127,0.5464734253992186
EOS-2-35740,Cn1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(Cl)cc5OC5CC5)n34)cn2)n1,RBVNHYPRDHRAPV-UHFFFAOYSA-N,2,1,0.327,22,985,480.319,3.892,6,0.373,0.68,1.0,0.29788054280035636,0.44476903570694265,0.21787403193749572,0.4659893084778288,0.3566282297306559
EOS-2-35741,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc2Cl)n1,UNTIKKZQBWSGRW-UHFFFAOYSA-N,2,1,0.422,31,814,480.319,3.67,5,0.336,0.66,0.884,0.7635014735110685,0.7124426016037283,0.22880542800356385,0.307535467068741,0.5030712425467754
EOS-2-35742,Cc1nc(=N)nc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccc5Cl)n34)c2)[nH]1,DAWUSLIXXVYZRH-UHFFFAOYSA-N,2,1,0.453,2,109,480.319,3.645,5,0.393,0.69,1.0,0.5315862517990542,0.5487115345075732,0.5559591529024741,0.5881365225138784,0.556098365430745
EOS-2-35743,Cc1nc(-c2nnc3cncc(OCCc4ccc(Br)o4)n23)ccc1-c1cncn1C,UWFSVDYRUYITQK-UHFFFAOYSA-N,2,1,0.432,31,954,480.326,3.872,5,0.364,0.58,0.662,0.5009423617298334,0.42259783428140635,0.27953018984305394,0.21805393735864573,0.35528108080323484
EOS-2-35744,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)ccc1Cl,DNMUOBIGBJKCOC-UHFFFAOYSA-N,2,1,0.757,57,485,480.33,5.921,5,0.302,0.82,1.0,0.9842968268110479,0.9883575491741484,0.9554862586525941,0.9698615584949627,0.9745005482831882
EOS-2-35745,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cc1Cl,QCFKYWADFURLDF-UHFFFAOYSA-N,2,1,0.688,57,560,480.33,5.921,5,0.302,0.87,1.0,0.9614145706257282,0.9431327530669591,0.9528647796586938,0.9712665341648962,0.9571696593790693
EOS-2-35746,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(Cl)c5)nc4)n23)c1,FGVGUKSGVVJSLN-UHFFFAOYSA-N,2,1,0.65,57,485,480.33,5.921,5,0.302,0.86,1.0,0.9697587553971626,0.9809300253580975,0.9521451579740936,0.9683452128024125,0.9677947878829415
EOS-2-35747,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cc4)c3)n12,JQAYGHHWBXGHSW-UHFFFAOYSA-N,2,1,0.633,57,732,480.33,5.921,5,0.302,0.83,1.0,0.9790795695976973,0.9791823726954972,0.9449318072784594,0.9668631348091289,0.9675142210951956
EOS-2-35748,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccc(Cl)cc1,UBHCCGQRZDONCQ-UHFFFAOYSA-N,2,1,0.662,57,111,480.33,5.921,5,0.282,0.8,1.0,0.9834144335549311,0.9893341786032486,0.9542097868549105,0.9704184086080461,0.974344201905284
EOS-2-35749,Fc1ccc(CCOc2cncc3nnc(-c4ncccc4-c4ccc(Cl)cc4)n23)cc1Cl,YYFVNXJARGQRNV-UHFFFAOYSA-N,2,1,0.671,57,485,480.33,5.921,5,0.302,0.8,0.999,0.9614231375505449,0.9418048797203755,0.9355681584538414,0.9607549174148448,0.9498877732849016
EOS-2-35750,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)cc1Cl,FTVUHCCCSRIWNY-UHFFFAOYSA-N,2,1,0.74,57,485,480.33,5.921,5,0.302,0.78,1.0,0.9821036940579809,0.9658008361318621,0.9515711740113769,0.9659207730792955,0.9663491193201288
EOS-2-35751,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)ccc1Cl,RFKIFRYVSBPVFU-UHFFFAOYSA-N,2,1,0.641,59,13,480.33,6.187,5,0.3,0.78,1.0,0.9034850250154205,0.9156671921047221,0.9774432869577137,0.9826605441710644,0.9448140120622301
EOS-2-35752,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)ccc1Cl,KMTLCTLNBPNEDA-UHFFFAOYSA-N,2,1,0.671,88,732,480.33,5.921,5,0.302,0.81,1.0,0.9550750462613941,0.9758327050921801,0.9521537248989103,0.9694075114796793,0.9631172469330409
EOS-2-35753,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5)c4)n23)c(Cl)c1,NIOZBEHFDVQKMP-UHFFFAOYSA-N,2,1,0.654,57,732,480.33,5.921,5,0.302,0.79,1.0,0.9763895552052635,0.977383318483997,0.9521622918237269,0.9704269755328627,0.9690905352614625
EOS-2-35754,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)nc3)n12,GOSUMQRFHJQRQC-UHFFFAOYSA-N,2,1,0.6,57,732,480.33,5.921,5,0.302,0.83,1.0,0.9519395517784935,0.9819923240353643,0.9425245014049757,0.9653210883421287,0.9604443663902404
EOS-2-35755,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,MANJAILEAJYGTJ-UHFFFAOYSA-N,2,1,0.571,57,671,480.33,5.921,5,0.302,0.75,1.0,0.9728599821807964,0.9842368583373312,0.937564251936125,0.961860050716195,0.9641302857926118
EOS-2-35756,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)ccc1Cl,QBYATPNUTBPOHD-UHFFFAOYSA-N,2,1,0.74,57,485,480.33,5.921,5,0.282,0.79,1.0,0.964978411349462,0.9607977520389281,0.9618343499417449,0.9716177780823796,0.9648070728531287
EOS-2-35757,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1Cl,YNMUNOBNQIBSDW-UHFFFAOYSA-N,2,1,0.757,91,883,480.33,5.921,5,0.282,0.83,1.0,0.9918614214241656,0.9888201631142485,0.9647642382290453,0.9729113837296964,0.9795893016242889
EOS-2-35758,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)c2)nc1,ASTILLMXPSLDPN-UHFFFAOYSA-N,2,1,0.571,57,732,480.33,5.921,5,0.302,0.76,1.0,0.9593756425193612,0.9588958947296279,0.9382410389966418,0.9602409019258447,0.954188369542869
EOS-2-35759,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)ccc1Cl,QGNQVCFKHPHNTK-UHFFFAOYSA-N,2,1,0.58,59,153,480.33,6.187,5,0.3,0.77,1.0,0.8683434994174491,0.857566307998081,0.9710352271948461,0.9782400109656638,0.91879626139401
EOS-2-35760,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)cc1,WVXDZOFOFWSNCS-UHFFFAOYSA-N,2,1,0.711,57,485,480.33,5.921,5,0.302,0.86,1.0,0.9923497361387157,0.9937804125830991,0.95025186758961,0.9668717017339455,0.9758134295113425
EOS-2-35761,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)c2)nc1,XXXVECDGVZYZML-UHFFFAOYSA-N,2,1,0.74,57,485,480.33,5.921,5,0.302,0.78,1.0,0.9821122609827976,0.9633164279350285,0.9515797409361936,0.9653296552669454,0.9655845212802412
EOS-2-35762,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)ccc1Cl,WGYQEHXRBNSRKS-UHFFFAOYSA-N,2,1,0.688,57,485,480.33,5.921,5,0.302,0.86,1.0,0.9744962648207799,0.9648670413268453,0.9528733465835104,0.9698701254197793,0.9655266945377287
EOS-2-35763,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)nc2)cc1,FSKJHBNGSXQUMC-UHFFFAOYSA-N,2,1,0.542,57,732,480.33,5.921,5,0.302,0.83,1.0,0.9414450688780756,0.9531389212528271,0.9396203138921253,0.965338222191762,0.9498856315536974
EOS-2-35764,Fc1cc(-c2ccncc2-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1Cl,DXJMBWZPBJASEC-UHFFFAOYSA-N,2,1,0.737,88,222,480.33,5.921,5,0.302,0.77,1.0,0.9182544033993557,0.9390034953053252,0.9566256596532109,0.9732883284216298,0.9467929716948804
EOS-2-35765,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cccc(F)c5Cl)c4)n23)ccc1Cl,YPGWPPBMLIWYFP-UHFFFAOYSA-N,2,1,0.536,59,962,480.33,6.187,5,0.3,0.68,1.0,0.9558032348708108,0.9561116441642108,0.9742820917003633,0.9802104036734973,0.9666018436022206
EOS-2-35766,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)ccc1Cl,XVABCWLITIMWAS-UHFFFAOYSA-N,2,1,0.74,57,485,480.33,5.921,5,0.302,0.77,1.0,0.9823949695017477,0.9658094030566787,0.9515883078610102,0.9653467891165787,0.9662848673840038
EOS-2-35767,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccc(Cl)nc1,SRBJUGWZQDUACH-UHFFFAOYSA-N,2,1,0.743,57,222,480.33,5.921,5,0.282,0.78,1.0,0.9943543965458159,0.9971215132615996,0.9613460352271949,0.9736909738880132,0.9816282297306559
EOS-2-35768,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)cc1Cl,WELBOWXDHRZAKG-UHFFFAOYSA-N,2,1,0.757,57,485,480.33,5.921,5,0.302,0.87,1.0,0.9843053937358646,0.9885802892193818,0.9554948255774107,0.9704355424576794,0.9747040127475841
EOS-2-35769,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccc(Cl)cc1,KVNRSSONAKEETN-UHFFFAOYSA-N,2,1,0.575,57,222,480.33,5.921,5,0.302,0.75,1.0,0.9745048317455967,0.982335001028031,0.9409824549379755,0.9643787266122953,0.9655502535809746
EOS-2-35770,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)ccc1Cl,IUHUHAASMYLWER-UHFFFAOYSA-N,2,1,0.695,57,485,480.33,5.921,5,0.302,0.82,1.0,0.9790881365225139,0.9809385922829141,0.9515968747858269,0.9683537797272291,0.969994345829621
EOS-2-35771,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cn2)cc1,NRKPIDQXFRHRDC-UHFFFAOYSA-N,2,1,0.6,57,732,480.33,5.921,5,0.302,0.8,1.0,0.9519481187033103,0.9805445137413474,0.9417277773970255,0.9653553560413953,0.9598939414707697
EOS-2-35772,Fc1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)cc1-c1ccncc1,QQJQHSXMPSIJKS-UHFFFAOYSA-N,2,1,0.638,88,222,480.33,5.921,5,0.302,0.77,1.0,0.9705726132547461,0.9805530806661641,0.9642502227400452,0.9765951614008636,0.9729927695154548
EOS-2-35773,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)cc1Cl,BURSGQMOQBAFRB-UHFFFAOYSA-N,2,1,0.695,57,485,480.33,5.921,5,0.302,0.84,1.0,0.9790967034473306,0.9812470015763142,0.9516054417106435,0.9683623466520458,0.9700778733465835
EOS-2-35774,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)cc1Cl,BVXPABHDLHATRK-UHFFFAOYSA-N,2,1,0.757,57,485,480.33,5.921,5,0.302,0.79,1.0,0.9929408539510657,0.9891371393324652,0.9555033925022274,0.9668802686587622,0.9761154136111301
EOS-2-35775,Cc1cc(-c2c(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cnn2C)ccc1Cl,OHOMYFDBFAVYMN-UHFFFAOYSA-N,2,1,0.5,37,563,480.359,4.824,5,0.347,0.73,1.0,0.45457816462202727,0.4887430607908985,0.6193029949969159,0.6854996230553081,0.5620309608662875
EOS-2-35776,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2C)ccc1Cl,OPBIZFOAVMRWIU-UHFFFAOYSA-N,2,1,0.453,95,998,480.359,4.824,5,0.347,0.77,1.0,0.4172349393461723,0.4181858680008224,0.6656500582550887,0.7238965800836132,0.5562418614214242
EOS-2-35777,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nn2C)ccc1Cl,DWTOPHDXHRRJGC-UHFFFAOYSA-N,2,1,0.478,95,998,480.359,4.824,5,0.324,0.79,1.0,0.4332807895277911,0.46676889863614557,0.6683058049482558,0.7134534987320952,0.5704522479610719
EOS-2-35778,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1Cl,DTILEEYGNJKGKL-UHFFFAOYSA-N,2,1,0.671,91,520,480.359,4.998,5,0.326,0.73,1.0,0.7779624426016037,0.8310602426153109,0.6012010828592969,0.7077479268041944,0.7294929237201015
EOS-2-35779,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1Cl,DIGJAGIMWXYNHF-UHFFFAOYSA-N,2,1,0.588,37,669,480.359,4.824,5,0.324,0.73,1.0,0.585309437324378,0.688129668974025,0.7008258515523268,0.7077564937290111,0.6705053628949353
EOS-2-35780,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)nc1,BHLRQVFVDVUWFQ-UHFFFAOYSA-N,2,1,0.44,26,1,480.359,4.998,5,0.326,0.66,0.995,0.5444023713247893,0.5345589747104379,0.684677198272908,0.7239051470084299,0.6218859228291413
EOS-2-35781,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1-c1cncn1C,VRWBGVWDFLSDFT-UHFFFAOYSA-N,2,1,0.588,84,308,480.359,4.824,5,0.347,0.73,0.992,0.7337399766979645,0.6059471592077308,0.690091494757042,0.7048094715920773,0.6836470255637037
EOS-2-35782,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c1,FFJVZGIKUPFZCG-UHFFFAOYSA-N,2,1,0.556,26,1,480.359,4.998,5,0.326,0.71,1.0,0.48095572613254745,0.38478342814063465,0.7109348228359947,0.732077993283531,0.5771879925981769
EOS-2-35783,CCn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)ccn1,UPRYUZOAIDOSQU-UHFFFAOYSA-N,2,1,0.591,75,166,480.359,4.998,5,0.326,0.66,1.0,0.5469039133712562,0.5210318004249195,0.5945617161263793,0.65055513672812,0.5782631416626688
EOS-2-35784,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2C)ccc1Cl,MLXLGNXRRAYHFW-UHFFFAOYSA-N,2,1,0.414,95,266,480.359,4.824,5,0.324,0.74,1.0,0.39763381536563636,0.4316359399629909,0.581831265848811,0.6505637036529367,0.5154161812075937
EOS-2-35785,CCn1cncc1-c1ccc(Cl)c(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,PKVFXARJCRMPOT-UHFFFAOYSA-N,2,1,0.527,26,626,480.359,4.998,5,0.305,0.69,1.0,0.6395552052635186,0.7261068466863135,0.7109433897608115,0.7348279761496813,0.7028583544650813
EOS-2-35786,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c(Cl)n1,HNKSSVMIFHMOFJ-UHFFFAOYSA-N,2,1,0.602,26,864,480.359,4.998,5,0.305,0.71,1.0,0.6139058323624151,0.6012182167089302,0.5818398327736276,0.6532451511205538,0.6125522582413817
EOS-2-35787,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1Cl,CUQWEZCIBFYROX-UHFFFAOYSA-N,2,1,0.549,26,669,480.359,4.998,5,0.305,0.72,1.0,0.7062829826605441,0.6929956822698924,0.7109519566856282,0.7320865602083476,0.7105792954561031
EOS-2-35788,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2Cl)cn1,AGFHXWURWUWJKI-UHFFFAOYSA-N,2,1,0.575,35,626,480.359,4.998,5,0.305,0.63,1.0,0.6028373654992804,0.6390326228497019,0.7109605236104448,0.7375094236172983,0.6725849838941813
EOS-2-35789,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)c(Cl)n1,UBYKGANSGNJIHO-UHFFFAOYSA-N,2,1,0.56,26,864,480.359,4.998,5,0.305,0.65,1.0,0.6542988828730039,0.6247258584058666,0.585078130354328,0.6505722705777535,0.628668785552738
EOS-2-35790,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c1,VJVUHHZYJSKJNI-UHFFFAOYSA-N,2,1,0.611,84,328,480.359,4.998,5,0.326,0.73,1.0,0.5628640943047084,0.552994996915907,0.7562110204920841,0.7709032965526694,0.6607433520663422
EOS-2-35791,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)nc1,OLCUYYASTNJUBF-UHFFFAOYSA-N,2,1,0.454,26,1,480.359,4.998,5,0.326,0.61,0.947,0.5572356247001576,0.5115739154273182,0.6545644575423206,0.704818038516894,0.6070480090466727
EOS-2-35792,N#Cc1ccc(F)cc1COc1cncc2nnc(-c3ccc(-c4nncn4C(F)(F)F)cc3)n12,ORXBSPOKCYQJQJ-UHFFFAOYSA-N,2,1,0.56,43,520,480.385,4.116,5,0.349,0.71,1.0,0.8728497018710164,0.8778784867384004,0.9792080734699472,0.9558803371941608,0.9214541498183811
EOS-2-35793,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)c([N+](=O)[O-])c4)n23)nc1,NEGMFOYOYYAQJX-UHFFFAOYSA-N,2,1,0.456,27,412,480.391,3.889,5,0.251,0.77,1.0,0.6083373312315811,0.49838941813446647,0.5881964909875951,0.3228359947913097,0.5044398087862381
EOS-2-35794,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(OC(F)F)n4)n23)nc1,IJLIQUDTNLCNHZ-UHFFFAOYSA-N,2,1,0.469,49,367,480.41,3.4,5,0.33,0.63,0.129,0.7805496538962374,0.8000651086286067,0.6929699814954424,0.6214704269755329,0.7237637927489549
EOS-2-35795,COc1cc(-c2nnc3cncc(-c4cncc(CO)n4)n23)ccc1-c1ccc(C(F)(F)F)nn1,XCRVVOFKXWWJEO-UHFFFAOYSA-N,2,1,0.337,50,121,480.41,3.225,5,0.404,0.72,1.0,0.5159259132341855,0.47548146117469675,0.8526831608525803,0.6706531423480228,0.6286859194023714
EOS-2-35796,FC(F)(F)Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)nc2)cn1,SHEUVSDHLLVHIM-UHFFFAOYSA-N,2,1,0.451,18,361,480.41,3.558,5,0.345,0.72,1.0,0.7635100404358851,0.7307843876362141,0.8674868069357823,0.7479096703447331,0.7774227263381536
EOS-2-35797,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(C(F)(F)F)nc5)cn4)n23)cc1,ARMDERQYXNVXSO-UHFFFAOYSA-N,2,1,0.522,27,343,480.41,3.128,5,0.39,0.66,1.0,0.8528287985744637,0.757864436981701,0.8242152696867933,0.6242803783154,0.7647972208895895
EOS-2-35798,COc1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)cn1,BWYSAJZXXGTFJL-UHFFFAOYSA-N,2,1,0.528,27,69,480.41,3.645,5,0.359,0.69,1.0,0.857129394832431,0.740276540333082,0.852691727777397,0.6094938660818313,0.7648978822561853
EOS-2-35799,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(COC(F)F)cc5)n34)n2)nc1,DHHXDJSAWBYAAG-UHFFFAOYSA-N,2,1,0.484,27,343,480.41,3.496,5,0.329,0.69,0.999,0.8728582687958331,0.8721557809608663,0.7240507847303133,0.6676718525118224,0.7841841717497088
EOS-2-35800,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1-c1nc(F)nc(=N)[nH]1,OVXGSWVYYPVYJB-UHFFFAOYSA-N,2,1,0.468,59,332,480.41,3.061,5,0.382,0.58,1.0,0.8215595229936262,0.7214378726612295,0.7631759303680351,0.6532537180453705,0.7398567610170653
EOS-2-35801,FC(F)(F)COc1ccnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,KAVMPYSWTZNDOR-UHFFFAOYSA-N,2,1,0.438,27,69,480.41,3.558,5,0.345,0.63,1.0,0.8160938249605921,0.7307929545610308,0.7747155780960866,0.6030344047700638,0.7311591905969433
EOS-2-35802,COc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nc2)c1,NSGDYACOEGLKQN-UHFFFAOYSA-N,2,1,0.506,51,969,480.41,3.645,5,0.359,0.75,1.0,0.8768333219107669,0.844878692344596,0.8702367898019328,0.6620176821328216,0.8134916215475294
EOS-2-35803,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)ccc1Oc1ccccc1,UJDRBCNDTIMVPM-UHFFFAOYSA-N,2,1,0.595,79,590,480.421,6.321,5,0.266,0.8,1.0,0.9911075320402988,0.9861130148721815,0.9965732300733329,0.9926067438832157,0.9916001302172572
EOS-2-35804,Fc1ccccc1-c1cccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,UAWYBVKTFCJSGZ-UHFFFAOYSA-N,2,1,0.641,79,640,480.421,6.075,5,0.276,0.84,1.0,0.9906791857994655,0.9897796586937153,0.9956051675690494,0.9935833733123158,0.9924118463436366
EOS-2-35805,Fc1ccc(Oc2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)cc1,TYXRAFCVTVGZAF-UHFFFAOYSA-N,2,1,0.622,79,590,480.421,6.321,5,0.266,0.83,1.0,0.9969244739908163,0.9861215817969982,0.9968816393667329,0.9943372626961826,0.9935662394626825
EOS-2-35806,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)c2)cc1,DVBCWXKEZXVEOC-UHFFFAOYSA-N,2,1,0.688,79,640,480.421,6.075,5,0.276,0.82,1.0,0.9933863340415324,0.9907477211979988,0.9960592145843328,0.994251593448016,0.99361121581797
EOS-2-35807,Fc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,KXGLSFSYPHCYGT-UHFFFAOYSA-N,2,1,0.675,79,640,480.421,6.075,5,0.276,0.83,1.0,0.9916729490781989,0.9913645397847989,0.9960677815091494,0.9940716880268659,0.9932942395997533
EOS-2-35808,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2F)c(F)c1,CEZKQRPIVUHYIM-UHFFFAOYSA-N,2,1,0.724,57,485,480.421,5.342,5,0.332,0.71,1.0,0.9957593722157494,0.9873209512713317,0.9871153450757316,0.9863014872181481,0.9891242889452402
EOS-2-35809,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(OCc3ccc(Oc4ccccc4)cc3)n12,NRUYGNHNUAUKCN-UHFFFAOYSA-N,2,1,0.568,79,590,480.421,6.321,5,0.266,0.79,1.0,0.9768007675964636,0.982000890960181,0.9960763484339662,0.9918785552737989,0.9866891405661024
EOS-2-35810,Fc1cc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)ccc1-c1ccccc1,JQWIDQNXUDDRQW-UHFFFAOYSA-N,2,1,0.679,79,640,480.421,6.075,5,0.276,0.83,1.0,0.9975327256527997,0.9919385237475156,0.9954766636967994,0.9930950585977657,0.9945107429237201
EOS-2-35811,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc2F)cc1,GVVFTFSMILGWRU-UHFFFAOYSA-N,2,1,0.819,57,23,480.421,5.917,5,0.271,0.77,1.0,0.9965646631485162,0.9933263655678157,0.9930350901240491,0.9931036255225825,0.9940074360907409
EOS-2-35812,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1-c1ccccc1,SGJSNNUYWLCANM-UHFFFAOYSA-N,2,1,0.667,79,640,480.421,6.075,5,0.276,0.8,1.0,0.9940631211020492,0.9903108080323487,0.9954852306216161,0.9932321293948324,0.9932728222877116
EOS-2-35813,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccc(F)c(F)c5)c(F)c4)n23)cc1,GOEQGAXLYDNBQF-UHFFFAOYSA-N,2,1,0.74,57,485,480.421,5.762,5,0.277,0.76,1.0,0.9942001918991159,0.9964104585018162,0.9864728257144816,0.9848965115482147,0.9904949969159071
EOS-2-35814,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(OC(F)(F)F)c5)n34)cc2)cc1,JNRSSTDOJIMFDM-UHFFFAOYSA-N,2,1,0.646,79,23,480.421,6.075,5,0.276,0.83,1.0,0.9961106161332328,0.9917928860256322,0.9959221437872661,0.9940802549516825,0.9944764752244533
EOS-2-35815,Fc1cc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)ccc1C(F)(F)F,OIMLICITRKCZIR-UHFFFAOYSA-N,2,1,0.608,79,590,480.421,6.321,5,0.266,0.78,1.0,0.9855047632101981,0.9820094578849976,0.9959307107120828,0.9907905558220821,0.9885588719073402
EOS-2-35816,Fc1ccc(COc2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cc2)cc1,WKFYMQKAGQABMD-UHFFFAOYSA-N,2,1,0.711,57,397,480.421,5.506,5,0.227,0.81,1.0,0.9936861764101158,0.9873295181961483,0.9906534850250154,0.987569392091015,0.9898096429305736
EOS-2-35817,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC(F)(F)F)cc5)n34)cc2)cc1,QMMPAQFTEVQCCO-UHFFFAOYSA-N,2,1,0.703,79,23,480.421,6.075,5,0.276,0.87,1.0,0.9942087588239326,0.990045233363032,0.9963847577273662,0.9943458296209993,0.9937461448838325
EOS-2-35818,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)cc2)cc1,LHBOIKBMHAJMQE-UHFFFAOYSA-N,2,1,0.617,79,23,480.421,6.075,5,0.276,0.78,1.0,0.9932749640189158,0.987338085120965,0.994945514358166,0.992238366116099,0.9919492324035364
EOS-2-35819,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2F)cc1,DZXLBBDNQPSMKA-UHFFFAOYSA-N,2,1,0.806,57,23,480.421,5.917,5,0.271,0.8,1.0,0.9991433075183332,0.995048317455966,0.9930436570488658,0.9931121924473991,0.9950868686176411
EOS-2-35820,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(OC(F)F)cc5)c4)n23)c1F,YHCVBVRFUPSGJZ-UHFFFAOYSA-N,2,1,0.651,79,640,480.421,5.917,5,0.271,0.77,1.0,0.9880834075800151,0.9864385580152149,0.9925724761839491,0.9922469330409156,0.9898353437050236
EOS-2-35821,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cc2)cc1,WDASWAKMMNLVJX-UHFFFAOYSA-N,2,1,0.75,79,640,480.421,6.075,5,0.276,0.86,1.0,0.9951853882530327,0.9911675005140155,0.9963933246521829,0.9944657665684326,0.9943029949969159
EOS-2-35822,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(OC(F)F)cc5)c4)n23)cc1F,WTGZGLVZPNSPKX-UHFFFAOYSA-N,2,1,0.824,57,640,480.421,5.917,5,0.271,0.81,1.0,0.9943629634706326,0.9911760674388321,0.9931207593722158,0.9928123500788157,0.992868035090124
EOS-2-35823,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C(F)(F)F)c5)n34)cc2)nn1,BSWGUZXOHSNGIF-UHFFFAOYSA-N,2,1,0.553,43,138,480.425,5.294,5,0.318,0.74,1.0,0.9462939483243095,0.9477674593927764,0.9874751559180317,0.9638047426495785,0.961335326571174
EOS-2-35824,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)ccc2F)cn1,OFSOMLBSLMHJRE-UHFFFAOYSA-N,2,1,0.541,1,138,480.425,5.294,5,0.318,0.71,1.0,0.9470392707833596,0.9375042834624083,0.9890600370091152,0.9712751010897128,0.961219673086149
EOS-2-35825,Fc1cc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)ccc1-c1cccnn1,KVPZFBPILGXCMG-UHFFFAOYSA-N,2,1,0.646,91,138,480.425,5.028,5,0.318,0.78,1.0,0.9781629086423137,0.9829432526900144,0.9877664313617983,0.9725001713384963,0.9803431910081557
EOS-2-35826,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccc(C(F)(F)F)cc5)n34)ccn2)c1,KHHVYAIELJECKJ-UHFFFAOYSA-N,2,1,0.628,11,583,480.425,5.028,5,0.318,0.68,1.0,0.9049071345349873,0.8961774381468028,0.9834915358782811,0.9638133095743951,0.9370973545336165
EOS-2-35827,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(OCCc3ccc(-c4cccnc4)nc3)n12,YBPYGDHGAKYCFE-UHFFFAOYSA-N,2,1,0.581,11,676,480.425,5.028,5,0.318,0.76,1.0,0.9463025152491261,0.9686964567198958,0.9835001028030979,0.9618686176410116,0.9650919231032828
EOS-2-35828,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)c(F)c2)n1,OTHFRCUMEDUGKS-UHFFFAOYSA-N,2,1,0.552,1,679,480.425,5.294,5,0.318,0.79,1.0,0.94958364745391,0.9390120622301419,0.9781115070934138,0.9357566307998081,0.9506159618943184
EOS-2-35829,Fc1ccnc(-c2ncnc(COc3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)n2)c1,HMQSLOFYMGXLJX-UHFFFAOYSA-N,2,1,0.384,80,874,480.427,2.003,6,0.342,0.65,0.974,0.5418665615790556,0.5530035638407237,0.09292543348639572,0.10139812213008019,0.3222984202590638
EOS-2-35830,Fc1cnc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)nn1,YUWJDGZOCFVGEE-UHFFFAOYSA-N,2,1,0.457,6,843,480.427,2.003,6,0.342,0.65,0.966,0.5822767459392776,0.5530121307655405,0.05057055719279008,0.06580254951682545,0.31291549585360845
EOS-2-35831,COc1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1-c1c(C)oc(=O)n1C,IUQMNVLSVBDLEY-UHFFFAOYSA-N,2,1,0.457,16,458,480.431,3.319,5,0.341,0.59,1.0,0.6250428346240834,0.4710866287437461,0.5559677198272908,0.4091477623192379,0.5153112363785896
EOS-2-35832,Fc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cc1F,WLRXNXBOADYSJA-UHFFFAOYSA-N,2,1,0.402,32,693,480.438,4.776,6,0.347,0.71,1.0,0.544410938249606,0.6636025632239051,0.7189448975395792,0.6966451922417929,0.6559008978137207
EOS-2-35833,COc1cccnc1CCn1nnnc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,VHXMXHHYHGBSJL-UHFFFAOYSA-N,2,1,0.427,92,185,480.439,2.336,5,0.31,0.71,1.0,0.3107823315742581,0.31254711808649166,0.07448941128092659,0.06755876910424234,0.19134440751147966
EOS-2-35834,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnc(F)cn6)cn5)n34)cc2F)cn1,FSAIDAYIDYJYTH-UHFFFAOYSA-N,2,1,0.377,86,443,480.442,3.749,6,0.371,0.6,1.0,0.3613785895414982,0.48003049825234734,0.5757658830786101,0.5531149338633404,0.49257247618394906
EOS-2-35835,COc1nc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)ccc1-c1nnco1,LCYOXLYHGZODQV-UHFFFAOYSA-N,2,1,0.4,81,984,480.448,2.676,6,0.33,0.54,0.325,0.31351518059077516,0.12868377767116715,0.08837639640874512,0.053697484750873825,0.14606820985539032
EOS-2-35836,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)ccc1-c1ncon1,SGRVVQAYBQXXRT-UHFFFAOYSA-N,2,1,0.43,80,350,480.448,2.676,6,0.33,0.62,1.0,0.38213624837228427,0.2051607155095607,0.21443869508601193,0.13695942704406827,0.23467377150298127
EOS-2-35837,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cn2)cn1,DHAIHFREDGCMRQ-UHFFFAOYSA-N,2,1,0.414,6,843,480.448,2.676,6,0.33,0.62,1.0,0.40383626893290386,0.23040744294428073,0.11933726269618258,0.06418340072647523,0.20444109382496062
EOS-2-35838,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnnc(-c6ncccn6)n5)o4)n23)cc1,MAOQZZHGNGGAAE-UHFFFAOYSA-N,2,1,0.459,56,8,480.448,2.16,6,0.355,0.62,1.0,0.48096429305736416,0.36585909122061544,0.11069323555616475,0.09326811047906243,0.2626961825783017
EOS-2-35839,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)ccc1-c1nnco1,QKLJPXHLIJIICY-UHFFFAOYSA-N,2,1,0.404,80,350,480.448,2.676,6,0.33,0.66,1.0,0.36138715646631486,0.17453395928997328,0.23245493797546432,0.14394147076965252,0.22807938112535125
EOS-2-35840,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nnco6)n5)n34)cc2)cc1=O,RSMCUTIVSZXIOA-UHFFFAOYSA-N,2,1,0.4,71,117,480.448,1.971,6,0.344,0.63,1.0,0.342891165787129,0.1392896305942019,0.12754437667055035,0.11005928311973134,0.17994611404290317
EOS-2-35841,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)ccc1-c1ncno1,WWKIPZOMFQOZDW-UHFFFAOYSA-N,2,1,0.417,6,350,480.448,2.676,6,0.33,0.65,1.0,0.3258429854019601,0.17454252621478994,0.18039373586457405,0.11722123226646564,0.19950011993694744
EOS-2-35842,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6ccon6)nn5)n34)c2)cc1=O,JJYGCHZRJGODEW-UHFFFAOYSA-N,2,1,0.374,6,826,480.448,1.971,6,0.344,0.57,0.88,0.24135597285998217,0.08666301144541155,0.11341751764786512,0.0932766774038791,0.13367829483928448
EOS-2-35843,COc1cc(-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)ccc1-c1cccnn1,ZJNCBFHJHNSTPM-UHFFFAOYSA-N,2,1,0.43,71,117,480.448,2.676,6,0.33,0.6,1.0,0.3933846206565691,0.169950654513056,0.17061030772393943,0.11722979919128229,0.21279384552121172
EOS-2-35844,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nnco6)n5)n34)cn2)cn1,FLDOLJSOPPRCPZ-UHFFFAOYSA-N,2,1,0.41,6,843,480.448,2.16,6,0.355,0.59,1.0,0.43822390514700843,0.25085669248166675,0.1644421218559386,0.1282725652799671,0.24544882119114522
EOS-2-35845,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cncnc6)n5)n34)cc2)o1,ICRPGBKBARSAJE-UHFFFAOYSA-N,2,1,0.4,56,59,480.448,2.676,6,0.33,0.68,1.0,0.5034524707011171,0.3466520457816462,0.11657871290521554,0.06581111644164211,0.25812358645740524
EOS-2-35846,COc1nc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)ccc1-c1ncccn1,DDHKDCCNYDOQAW-UHFFFAOYSA-N,2,1,0.43,80,34,480.448,2.676,6,0.33,0.54,0.978,0.46119183058049484,0.15453018984305394,0.0859348228359948,0.0472380234391063,0.18722371667466248
EOS-2-35847,COc1nc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCc3ccc(-c4ncccn4)cn3)n12,YIIMAMUGKQXGAD-UHFFFAOYSA-N,2,1,0.45,80,843,480.452,1.806,6,0.352,0.59,1.0,0.3889726543759852,0.25086525940648347,0.05057912411760675,0.026951545473236926,0.1793421458433281
EOS-2-35848,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5c(F)cccc5F)nc4)n23)cc1,XQGDSFOIBOLSEF-UHFFFAOYSA-N,2,1,0.394,83,192,480.453,6.0,6,0.31,0.78,1.0,0.440374203275992,0.702984716606127,0.9497464190254267,0.9638218764992118,0.7642318038516893
EOS-2-35849,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(F)c(F)cn6)cn5)n34)cc2)cc1,YAUCCHWGDOIFIZ-UHFFFAOYSA-N,2,1,0.397,93,950,480.453,6.0,6,0.31,0.75,1.0,0.41724350627098894,0.6636111301487219,0.9642587896648619,0.970444109382496,0.7538893838667672
EOS-2-35850,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)nc4)n23)cc1-c1cnco1,SVKKAUBPFFIUKN-UHFFFAOYSA-N,2,1,0.5,17,410,480.459,5.352,6,0.301,0.71,1.0,0.8215680899184429,0.6541618120759373,0.822339113151943,0.7554057295593174,0.7633686861764102
EOS-2-35851,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cnc(C)nc3-c3ccc(F)cc3)n12,BKMQQACNISLJAL-UHFFFAOYSA-N,2,1,0.323,3,923,480.463,4.421,6,0.353,0.68,0.987,0.5997618394900966,0.5822339113151943,0.5190185730930026,0.4629566170927284,0.5409927352477555
EOS-2-35852,Cc1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)ccc2F)no1,RRNJEZFJRMJXHN-UHFFFAOYSA-N,2,1,0.479,28,414,480.463,4.325,6,0.343,0.67,0.998,0.6250514015489,0.6489359879377699,0.4344801590021246,0.39066033856486876,0.5247819717634158
EOS-2-35853,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccnnc6)cc5F)n34)cc2)o1,MHSXGUFRXPTOCX-UHFFFAOYSA-N,2,1,0.489,77,323,480.463,4.325,6,0.343,0.69,1.0,0.7276831608525803,0.6881382358988417,0.6490387910355698,0.582139675142211,0.6617499657323007
EOS-2-35854,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn(C)c(=O)cc6F)cc5)n34)cc2)no1,UDFGKXVHTPJKCZ-UHFFFAOYSA-N,2,1,0.33,9,98,480.463,3.717,6,0.375,0.73,1.0,0.38898122130080187,0.3803286272359674,0.35699232403536424,0.35814885888561443,0.371112757864437
EOS-2-35855,Fc1ccccc1-n1nnnc1COc1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)n12,ZOXQNBDPIBALLB-UHFFFAOYSA-N,2,1,0.475,17,960,480.463,4.277,6,0.333,0.73,1.0,0.4984322527585498,0.5390908779384552,0.4194195051744226,0.49958878760879993,0.4891328558700569
EOS-2-35856,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnn(-c6ccc(F)cc6)c5)n34)cc2)n[nH]1,QQRFLHYJVCNBRW-UHFFFAOYSA-N,2,1,0.489,77,177,480.463,3.445,6,0.388,0.77,1.0,0.47374237543691317,0.39933006647933655,0.6490473579603866,0.6242889452402166,0.5366021862792132
EOS-2-35857,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5conn5)nc4)n23)cn1,XGIQRGNXTGLEIQ-UHFFFAOYSA-N,2,1,0.568,28,218,480.463,4.059,6,0.333,0.64,1.0,0.6910167226372421,0.5768967171544103,0.5255037351792201,0.5263347268864369,0.5799379754643275
EOS-2-35858,Cc1nc(-c2ccc(COc3cncc4nnc(-c5cccc(-c6ccc(F)nn6)c5)n34)cc2)no1,JIZPVNQKFXCSGS-UHFFFAOYSA-N,2,1,0.489,77,613,480.463,4.325,6,0.343,0.73,1.0,0.727691727777397,0.6059557261325474,0.5010708656020835,0.4438866424508259,0.5696512404907135
EOS-2-35859,Cc1ncncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnco5)cn4)n23)cc1F,DBKPVOQHYQKVFC-UHFFFAOYSA-N,2,1,0.558,41,868,480.463,4.325,6,0.343,0.6,1.0,0.7544890686039339,0.6247344253306834,0.6630457131108217,0.5662994311561922,0.6521421595504078
EOS-2-35860,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)ncc2F)o1,JTTLAMXVAFWQFA-UHFFFAOYSA-N,2,1,0.472,12,285,480.463,4.325,6,0.343,0.65,0.999,0.760391679802618,0.6733688575149065,0.25035124391748337,0.29801761359742307,0.49553234870810775
EOS-2-35861,COc1ccc(-c2nnc(C)o2)cc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cn4)nc3)n12,GYYWYXLPWAICHV-UHFFFAOYSA-N,2,1,0.34,32,693,480.463,4.421,6,0.353,0.71,0.999,0.5766739771091769,0.5437941196628059,0.4907991227468988,0.40915632924405454,0.505105887190734
EOS-2-35862,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccc(F)nc6)nc5)n34)cc2)o1,ISUNFMBTBZTFMM-UHFFFAOYSA-N,2,1,0.528,77,2,480.463,4.325,6,0.321,0.71,1.0,0.7779710095264204,0.5872883969570283,0.5457816462202728,0.4565913919539442,0.5919081111644164
EOS-2-35863,Fc1cc(-c2cnccn2)ccc1-c1ccc(-c2nnc3cncc(OCCc4ccoc4)n23)nn1,CEGSQOOLQLNNTG-UHFFFAOYSA-N,2,1,0.442,6,596,480.463,4.059,6,0.333,0.64,1.0,0.7092899732711946,0.480039065177164,0.5220169967788363,0.5096977588924679,0.5552609485299157
EOS-2-35864,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cs1,SYWLJMQZWLCIIL-UHFFFAOYSA-N,2,1,0.557,15,684,419.535,4.906,5,0.391,0.77,1.0,0.6223099856075663,0.48004763210198065,0.379668974025084,0.33592625591117814,0.45448821191145233
EOS-2-35865,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ncc(F)cn6)c5)n34)cn2)cn1,AJIJNIAVUMIGOS-UHFFFAOYSA-N,2,1,0.436,80,34,480.467,3.157,6,0.354,0.68,1.0,0.5367092728394216,0.4754900280995134,0.3643598793776986,0.2918065931053389,0.4170914433554931
EOS-2-35866,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)nc5)n4)n23)cc1,YWTOCFQOMAZRDG-UHFFFAOYSA-N,2,1,0.43,56,415,480.467,3.157,6,0.331,0.67,1.0,0.5853180042491947,0.4667774655609622,0.35322287711603045,0.319811870331026,0.43128255431430335
EOS-2-35867,Cn1cc(-c2cccc(COc3cncc4nnc(-c5cc(-c6cncc(F)c6)ncn5)n34)n2)cn1,OOIUDCXLUXBHAQ-UHFFFAOYSA-N,2,1,0.406,6,843,480.467,3.157,6,0.354,0.64,0.659,0.3310174079912275,0.2661829209786855,0.37967754094990064,0.32921835377972725,0.32652405592488526
EOS-2-35868,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)c(F)n4)n23)c1,PIGCUMCUIPLEOH-UHFFFAOYSA-N,2,1,0.398,40,177,480.467,3.157,6,0.331,0.65,1.0,0.5444195051744226,0.39933863340415326,0.2718713590569529,0.31066239462682477,0.38157297306558835
EOS-2-35869,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cn2)cn1,CAVGTHIWAYHQPB-UHFFFAOYSA-N,2,1,0.467,56,8,480.467,3.157,6,0.354,0.69,1.0,0.5133815365636352,0.462502570077445,0.3605989993831814,0.28592111575628815,0.40560105544513747
EOS-2-35870,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnc(F)cn6)cc5)n34)n2)cn1,DIZKDNXOYCRALF-UHFFFAOYSA-N,2,1,0.425,80,350,480.467,3.157,6,0.354,0.66,1.0,0.4082396682886711,0.46251113700226165,0.4015574669316702,0.3359348228359948,0.40206077376464944
EOS-2-35871,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)n2)cn1,XVCSHITTZIMAPS-UHFFFAOYSA-N,2,1,0.44,56,197,480.467,3.157,6,0.354,0.62,1.0,0.5133901034884518,0.4983979850592831,0.3013929819751902,0.2444057980947159,0.38939671715441027
EOS-2-35872,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c(F)c2)nn1,LPUQEOSLCPXJDM-UHFFFAOYSA-N,2,1,0.484,56,8,480.467,3.157,6,0.354,0.7,1.0,0.4737509423617298,0.39442121855938594,0.3380337194160784,0.29482215064080597,0.3752570077445
EOS-2-35873,Fc1ccc(Cn2nnc(-c3ccc(-c4nnc5cncc(OCc6cccnn6)n45)cc3)n2)cc1,OMLIZROGRGZLLL-UHFFFAOYSA-N,2,1,0.5,67,755,480.467,3.001,6,0.339,0.81,1.0,0.5084555547940511,0.5115824823521349,0.25397505311493385,0.2889281063669385,0.3907352991570146
EOS-2-35874,Cn1nncc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5cccc(F)n5)cc4)n23)cn1,WXBRRDUOMMDIPK-UHFFFAOYSA-N,2,1,0.439,40,415,480.467,3.157,6,0.331,0.49,1.0,0.49844081968336645,0.4579792337742444,0.3234014118292098,0.3075440339935577,0.39684137482009463
EOS-2-35875,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccc(F)nc6)n5)n34)cc2)n1,QJEBFZVWOPAOJK-UHFFFAOYSA-N,2,1,0.433,56,350,480.467,3.157,6,0.331,0.69,1.0,0.4885031868960318,0.4536615036666438,0.3453841409087794,0.29181516003015556,0.3948409978754026
EOS-2-35876,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cn6)nc5)n34)nc2)cn1,SJEIFBOUBQPCOI-UHFFFAOYSA-N,2,1,0.422,80,855,480.467,3.157,6,0.354,0.65,1.0,0.5110513330135015,0.4887516277157152,0.3680436570488657,0.30755260091837433,0.41884980467411415
EOS-2-35877,Cn1c(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)nnc1-c1cccnn1,YAQYOLSASASUGI-UHFFFAOYSA-N,2,1,0.436,67,755,480.467,3.157,6,0.331,0.59,0.974,0.5656997464190254,0.5345675416352547,0.18369200191899115,0.2386316907682818,0.38064774518538824
EOS-2-35878,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnc5)n4)n23)cc1,OKSRJVTZDZAPPC-UHFFFAOYSA-N,2,1,0.528,40,415,480.467,3.157,6,0.354,0.73,1.0,0.4809728599821808,0.48005619902679736,0.29049585360838875,0.2948307175656226,0.3865889075457474
EOS-2-35879,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccc(F)nn6)cc5)n34)cn2)n1C,HSBJYCSZDICKAH-UHFFFAOYSA-N,2,1,0.424,67,622,480.467,3.679,6,0.364,0.62,0.982,0.5110598999383181,0.5530206976903571,0.2144472620108286,0.212553971626345,0.3727704578164622
EOS-2-35880,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cc1F,LLOMEEAFCHMQLC-UHFFFAOYSA-N,2,1,0.5,6,414,480.467,3.157,6,0.354,0.6,0.995,0.4590072647522445,0.4579878006990611,0.3050938934959907,0.2800270714824207,0.37552900760742924
EOS-2-35881,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)c1,TYDKKJDUTAJIGC-UHFFFAOYSA-N,2,1,0.539,40,415,480.467,3.157,6,0.331,0.65,1.0,0.5341820300185045,0.480064765951614,0.36436844630251525,0.36811219244739907,0.4366818586800082
EOS-2-35882,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccc(F)nc6)n5)n34)cn2)cn1,QWRSSKVMQJCDTF-UHFFFAOYSA-N,2,1,0.38,80,350,480.467,3.157,6,0.331,0.63,1.0,0.37757864436981703,0.43164450688780753,0.4119834144335549,0.34206874100472895,0.3908188266739771
EOS-2-35883,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccc(F)cc6)nn5)n34)cc2)n1,CNUCLQNCHVHGQL-UHFFFAOYSA-N,2,1,0.556,67,755,480.467,3.157,6,0.354,0.69,1.0,0.6939209101500925,0.712451168528545,0.2573161537934343,0.29483928449043934,0.4896318792406278
EOS-2-35884,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(-c6cccnn6)n5)n34)cc2)n1,NGDLWHUZQXOEEQ-UHFFFAOYSA-N,2,1,0.421,71,428,480.467,3.157,6,0.354,0.67,0.959,0.6423737235282023,0.5579895140840244,0.24666746624631622,0.2298248920567473,0.41921389897882255
EOS-2-35885,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1F,XXQQHMWYSVGINT-UHFFFAOYSA-N,2,1,0.447,80,350,480.467,3.157,6,0.354,0.67,1.0,0.5572441916249743,0.5390994448632719,0.4839370159687479,0.4186227811664725,0.49972585840586664
EOS-2-35886,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccc(F)nc6)cn5)n34)cc2)n1,YSGBUUFITVIHGV-UHFFFAOYSA-N,2,1,0.547,40,415,480.467,3.157,6,0.331,0.61,1.0,0.5159344801590021,0.4447776026317593,0.38340415324515115,0.3420773079295456,0.4215483859913645
EOS-2-35887,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)cn5)cn4)n23)cc1,OZJBJYNPUKRZGA-UHFFFAOYSA-N,2,1,0.533,40,415,480.467,3.157,6,0.354,0.7,1.0,0.5686382016311425,0.5027414159413337,0.3307689671715441,0.3260143238982935,0.43204072716057845
EOS-2-35888,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)ccn1,PUVPGEIGIUCWRW-UHFFFAOYSA-N,2,1,0.473,67,755,480.467,3.157,6,0.354,0.69,1.0,0.7062915495853609,0.5073418545678843,0.33804228634089506,0.3106709615516414,0.46558666301144547
EOS-2-35889,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(-c6cnccn6)n5)n34)cc2)n1,LHIKDNLIVSZUFU-UHFFFAOYSA-N,2,1,0.435,56,147,480.467,3.157,6,0.354,0.65,1.0,0.6250599684737167,0.5298985676101706,0.26108560071276815,0.229833458981564,0.41146939894455486
EOS-2-35890,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5F)n34)cn2)cn1,WKOUCKIHJPBVOW-UHFFFAOYSA-N,2,1,0.467,6,843,480.467,3.157,6,0.331,0.63,1.0,0.4312332944966075,0.45799636762387774,0.2978462751010897,0.24711294633678293,0.35854722088958946
EOS-2-35891,Cn1cnnc1-c1nccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)n1,CGFPYJLWEJBPBK-UHFFFAOYSA-N,2,1,0.463,56,415,480.467,3.157,6,0.331,0.64,1.0,0.602845932424097,0.5391080117880885,0.25398362003975056,0.26539476389555205,0.415333082036872
EOS-2-35892,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cn(-c6ccccn6)nn5)n34)nn2)c1,KOVSYGUGVYDZLB-UHFFFAOYSA-N,2,1,0.427,19,691,480.467,2.985,6,0.339,0.62,0.546,0.24940888218764992,0.2006887807552601,0.1547272291138373,0.22677506682201357,0.2078999897196902
EOS-2-35893,COc1ncc(-c2cn(C)nn2)cc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,VFPOUWYWKFXKIP-UHFFFAOYSA-N,2,1,0.296,70,723,480.467,3.254,6,0.342,0.65,1.0,0.21630628469604551,0.30738982934685766,0.3796861078747173,0.307561167843191,0.3027358474402029
EOS-2-35894,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)cn5)n4)n23)cc1,AYEJPRZCFNWJNC-UHFFFAOYSA-N,2,1,0.441,56,415,480.467,3.157,6,0.354,0.62,1.0,0.642382290453019,0.48876019464053183,0.30510246042080735,0.2889366732917552,0.4312954047015284
EOS-2-35895,Cn1cc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)nn4)n23)c(-c2ccc(F)cc2)n1,JZOLICPWKAQOIO-UHFFFAOYSA-N,2,1,0.438,71,218,480.467,3.157,6,0.354,0.67,1.0,0.3775872112946337,0.3993472003289699,0.18370056884380784,0.22984202590638064,0.29761925159344804
EOS-2-35896,COc1ncc(-c2cnc(F)cn2)cc1-c1cncc2nnc(-c3ccc(-c4cc(C)[nH]n4)cn3)n12,PIVOJVIFUFSTGC-UHFFFAOYSA-N,2,1,0.283,70,72,480.467,3.552,6,0.393,0.59,0.321,0.3613957233911315,0.3944297854842026,0.35700089096018095,0.2683503529573025,0.34529418819820434
EOS-2-35897,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnc(F)cn6)cc5)n34)cn2)cn1,WIQYRYLDCJGUNK-UHFFFAOYSA-N,2,1,0.447,80,350,480.467,3.157,6,0.354,0.65,1.0,0.4545867315468439,0.46251970392707836,0.41576142827770546,0.33259372215749433,0.41636539647728055
EOS-2-35898,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cc2F)cn1,WNMKKSBGKFJAMG-UHFFFAOYSA-N,2,1,0.448,71,350,480.467,3.157,6,0.354,0.64,1.0,0.5034610376259337,0.4935405386882325,0.4270012336371736,0.38387533411006786,0.4519695360153519
EOS-2-35899,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(-n6ccnc6)n5)n34)c2)cn1,LXQPGQIJBMYCQK-UHFFFAOYSA-N,2,1,0.453,80,855,480.467,3.251,6,0.353,0.71,1.0,0.33591768898636143,0.32252758549790966,0.3834127201699678,0.30440853951065727,0.336566633541224
EOS-2-35900,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnccn5)n4)n23)cc1F,GQOBKQHBVUEABM-UHFFFAOYSA-N,2,1,0.452,80,277,480.467,3.157,6,0.354,0.61,1.0,0.5496881639366733,0.5073504214927009,0.4234802275375231,0.37126482077993284,0.4629459084367076
EOS-2-35901,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cnccn5)n4)n23)cc1,AFXUXBDPZRPYDZ-UHFFFAOYSA-N,2,1,0.435,80,147,480.467,3.157,6,0.354,0.62,1.0,0.6969021999862929,0.5210403673497361,0.2940768281817559,0.26237063943526834,0.4435975087382633
EOS-2-35902,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)nn2)cn1,RTZNEVIOKYZRDT-UHFFFAOYSA-N,2,1,0.36,6,549,480.467,3.157,6,0.354,0.68,1.0,0.3821448152971009,0.39443835240901925,0.30861489959564115,0.332602289082311,0.35445008909601805
EOS-2-35903,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)nc1,QOHYUOZWUXXGBR-UHFFFAOYSA-N,2,1,0.522,40,415,480.467,3.157,6,0.354,0.7,1.0,0.5822853128640944,0.5027499828661504,0.31613665958467546,0.3292269207045439,0.43259971900486605
EOS-2-35904,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)c1,BUTFTSDSWBCTLZ-UHFFFAOYSA-N,2,1,0.448,77,691,480.467,3.157,6,0.354,0.71,1.0,0.5712596806250428,0.462528270851895,0.2833510383112878,0.3452556370365294,0.4155986567061888
EOS-2-35905,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)c1,IZQXEKXQOYBDEO-UHFFFAOYSA-N,2,1,0.556,40,415,480.467,3.157,6,0.354,0.72,1.0,0.4885117538208485,0.4490867658145432,0.3086234665204578,0.32923548762936056,0.39386436844630257
EOS-2-35906,COc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2F)cn1,NNUZNWRATQOVGV-UHFFFAOYSA-N,2,1,0.33,25,213,480.467,3.254,6,0.366,0.68,1.0,0.33592625591117814,0.302198272907957,0.334666917963128,0.31982043725584264,0.32315297100952645
EOS-2-35907,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6ccc(F)cn6)nn5C)n34)cc2)nn1,SBZXAQDHQCOWQP-UHFFFAOYSA-N,2,1,0.398,67,622,480.467,3.679,6,0.364,0.64,1.0,0.45459529847166064,0.5115910492769515,0.2645038037146186,0.2326776780206977,0.3658419573709821
EOS-2-35908,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(F)c5)nn4)n23)cc1,WEDGULSHIWUWRW-UHFFFAOYSA-N,2,1,0.517,67,755,480.467,3.157,6,0.354,0.71,1.0,0.5599256390925913,0.5391165787129052,0.2645123706394353,0.28894524021657186,0.4131249571653759
EOS-2-35909,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)n2)n1,OTPHULPNAHXRNI-UHFFFAOYSA-N,2,1,0.463,81,218,480.467,3.157,6,0.354,0.72,1.0,0.41282297306558835,0.48413405523953124,0.2397025563703653,0.2711517373723528,0.3519528305119594
EOS-2-35910,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncccc6F)cc5)n34)cn2)nn1,SJQRKHSGUBUERA-UHFFFAOYSA-N,2,1,0.478,40,355,480.467,3.157,6,0.354,0.59,1.0,0.4860102117743815,0.4625368377767117,0.3123672126653417,0.3044171064354739,0.3913328421629772
EOS-2-35911,Cn1ccc(-c2cc(F)c(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cn2)n1,MBUNODSGOLDSIU-UHFFFAOYSA-N,2,1,0.458,6,414,480.467,3.157,6,0.354,0.57,0.983,0.444914673428826,0.44909533273935986,0.23971112329518196,0.20642005345761086,0.3350352957302447
EOS-2-35912,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)n2)cn1,OQHXIHXOENQXLI-UHFFFAOYSA-N,2,1,0.38,80,350,480.467,3.157,6,0.331,0.63,1.0,0.3845606880954013,0.44478616955657596,0.40865088067987115,0.34526420396134605,0.3958154855732986
EOS-2-35913,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cccc(F)c6)nn5)n34)cc2)nn1,JILRJSSYFVGCJP-UHFFFAOYSA-N,2,1,0.467,67,755,480.467,3.157,6,0.354,0.69,1.0,0.4761239805359468,0.4887687615653485,0.2978548420259064,0.32602289082311015,0.397192618737578
EOS-2-35914,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncccn6)n5)n34)c(F)c2)cn1,RIFPYTXDMIJEOJ-UHFFFAOYSA-N,2,1,0.423,80,350,480.467,3.157,6,0.354,0.62,1.0,0.4637276403262285,0.5299071345349873,0.34539270783359605,0.3075697347680077,0.4116493043657049
EOS-2-35915,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)c1,DVHPPGUEXADKCD-UHFFFAOYSA-N,2,1,0.489,67,755,480.467,3.157,6,0.354,0.67,1.0,0.6335754917414845,0.4580049345486944,0.3454012747584127,0.3106795284764581,0.43691530738126244
EOS-2-35916,Fc1ccc(-c2c(-c3nnc4cncc(OCc5ccccn5)n34)ccn2-c2ccccc2)c(F)c1,WBOIYWOWFHQCHJ-UHFFFAOYSA-N,2,1,0.612,12,177,480.478,5.501,6,0.315,0.62,0.999,0.379874580220684,0.5391251456377218,0.8645997532725653,0.8750942361729833,0.6646734288259886
EOS-2-35917,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnn5-c5ccccc5F)cc4)n23)cc1,UMEBDASTGKFPMO-UHFFFAOYSA-N,2,1,0.61,12,994,480.478,5.501,6,0.315,0.72,1.0,0.777979576451237,0.7535981084230005,0.910150092522788,0.9114351312452882,0.8382907271605784
EOS-2-35918,FC(F)Oc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)cc1,YRMVHMYBIRPVMU-UHFFFAOYSA-N,2,1,0.439,93,68,480.478,5.912,6,0.296,0.77,1.0,0.10155232677678021,0.3563412377492975,0.9490696319649099,0.9441350832705092,0.5877745699403742
EOS-2-35919,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)cc1F,XQECCBJGZQIICU-UHFFFAOYSA-N,2,1,0.583,12,177,480.478,5.501,6,0.315,0.59,1.0,0.588299294085395,0.5919830717565623,0.922580700431773,0.9159156329244055,0.7546946747995339
EOS-2-35920,Cn1c(CF)nc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3ccc(-c4cccnc4)cn3)n12,PODRXRGZDFZSLY-UHFFFAOYSA-N,2,1,0.298,32,572,480.482,4.924,6,0.348,0.66,1.0,0.21919333835926255,0.24080768967171545,0.44883832499485987,0.5630097320265918,0.36796227126310743
EOS-2-35921,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)cn5)n34)c(F)c2)ccc1F,CGJBCFNLQOKACX-UHFFFAOYSA-N,2,1,0.306,32,572,480.482,4.902,6,0.357,0.62,1.0,0.15551538619697072,0.3563498046741142,0.7656860393393188,0.7266037283256802,0.501038739634021
EOS-2-35922,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nc4)n23)cc1O,HRCWVRICKMSSFI-UHFFFAOYSA-N,2,1,0.489,28,297,480.488,4.009,6,0.36,0.54,0.999,0.44038277020080874,0.220032896991296,0.41942807209923927,0.294847851415256,0.34367289767665
EOS-2-35923,COc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)ccc1-c1nc(C)no1,UONCASPMVBZARH-UHFFFAOYSA-N,2,1,0.448,40,933,480.488,3.923,6,0.335,0.69,1.0,0.3889897882256185,0.17872318552532382,0.43053080666164073,0.27397025563703653,0.31805350901240487
EOS-2-35924,COc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)on2)cn1,VUSQUIVDJUTRGB-UHFFFAOYSA-N,2,1,0.483,40,2,480.488,3.829,6,0.336,0.79,1.0,0.4243454869440066,0.27652319923240354,0.3643770132273319,0.2180625042834624,0.3208270509218011
EOS-2-35925,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccc(-c5ccco5)n4)n23)ncn1,UKTPJFRYJQCQPA-UHFFFAOYSA-N,2,1,0.375,31,296,480.492,3.136,6,0.32,0.62,0.997,0.1609553834555548,0.01856452607771914,0.058006647933657736,0.045841614693989445,0.07084204304023027
EOS-2-35926,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5cocn5)nn4)n23)cc1,DZPVWEIEEJGCHX-UHFFFAOYSA-N,2,1,0.484,67,415,480.492,3.136,6,0.32,0.56,1.0,0.4612003975053115,0.30220683983277363,0.07449797820574326,0.06756733602905901,0.22636813789322185
EOS-2-35927,Cc1nc(-c2cccc(COc3cncc4nnc(-c5cccc(-c6nc(C)n(C)n6)c5)n34)n2)no1,ZSHIDPRNGXFARK-UHFFFAOYSA-N,2,1,0.459,56,506,480.492,3.228,6,0.349,0.71,1.0,0.21631485162086217,0.1659584675484888,0.035167226372421354,0.020200808717702693,0.10941033856486876
EOS-2-35928,COc1nc(-c2cnn(C)c2)cnc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,YNMDOXUAAGZJCE-UHFFFAOYSA-N,2,1,0.406,56,763,480.492,2.96,6,0.366,0.55,1.0,0.37759577821945034,0.22537009115208004,0.1772925090809403,0.10777191419368104,0.22200757316153794
EOS-2-35929,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5noc(C)n5)n4)n23)cc1,GNCLSVOPVKPKFF-UHFFFAOYSA-N,2,1,0.454,56,415,480.492,3.402,6,0.334,0.62,1.0,0.3185096977588925,0.21006099650469467,0.05989993831814132,0.04319443492563909,0.1579162668768419
EOS-2-35930,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)c(O)c4)n23)nc1,DBKRSAFNNBBLMO-UHFFFAOYSA-N,2,1,0.463,71,415,480.492,2.667,6,0.382,0.5,1.0,0.19995202522102665,0.1545387567678706,0.2760006168185868,0.18383763964087452,0.20358225961208964
EOS-2-35931,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cn(C)nc6C)nc5)n34)n2)no1,DDKOCXPIWHISGX-UHFFFAOYSA-N,2,1,0.42,6,843,480.492,3.228,6,0.349,0.66,1.0,0.25707627989856763,0.18274107326434103,0.07019738194777603,0.0382170516071551,0.13705794667945995
EOS-2-35932,COc1cc(-c2nnc3cncc(OCc4ccc(-n5cnnn5)cc4)n23)ccc1-c1nccn1C,OBGGPCSTAWMWJG-UHFFFAOYSA-N,2,1,0.453,89,807,480.492,2.755,6,0.339,0.75,1.0,0.25993763278733467,0.13193064217668427,0.3307775340963608,0.2064286203824275,0.23226860736070182
EOS-2-35933,COc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)ccc1-c1ncnn1C,NFXQVVXLCMFPEJ-UHFFFAOYSA-N,2,1,0.463,71,375,480.492,2.755,6,0.339,0.67,1.0,0.28415632924405454,0.12159893084778288,0.20779932835309436,0.11723836611609896,0.1826982386402577
EOS-2-35934,CCn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)nn1,SYRMBPLENWKLIE-UHFFFAOYSA-N,2,1,0.353,80,855,480.496,2.234,6,0.334,0.66,1.0,0.21920190528407923,0.16596703447330546,0.03014700842985402,0.0172452196559523,0.10814029196079775
EOS-2-35935,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccn6)nn5C)n34)cn2)nn1C,YNYOXFFZONVRHZ-UHFFFAOYSA-N,2,1,0.443,6,502,480.496,2.06,6,0.348,0.67,0.634,0.31079089849907476,0.2558340758001508,0.006433760537317525,0.002690014392433692,0.14393718730724417
EOS-2-35936,Cc1nc(-c2ccccc2)oc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)n1C,HDPKGCFXUOJTKP-UHFFFAOYSA-N,2,1,0.5,12,897,480.503,5.478,6,0.314,0.64,1.0,0.7864094304708382,0.7920807346994723,0.6222328832842163,0.5694948941128093,0.692554485641834
EOS-2-35937,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3F)n12,TZSAHNPPCNUKIE-UHFFFAOYSA-N,2,1,0.358,42,42,480.507,4.407,6,0.363,0.64,1.0,0.4106298403125214,0.3658676581454321,0.6193115619217325,0.4995973545336166,0.47385160372832563
EOS-2-35938,FCCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-n4cccc4)n23)cc1,OOMKTGYDJLTKCD-UHFFFAOYSA-N,2,1,0.484,77,755,480.507,4.389,6,0.321,0.69,1.0,0.5211517373723529,0.26082002604345145,0.4305393735864574,0.4406826125693921,0.41329843739291344
EOS-2-35939,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-n5cccc5)cc4)n23)c(F)c1,WRCKWYRTAUXPSG-UHFFFAOYSA-N,2,1,0.586,91,603,480.507,4.138,6,0.341,0.65,1.0,0.6667723254060722,0.5919916386813789,0.6012096497841135,0.5725875539716263,0.6081402919607978
EOS-2-35940,CCc1nc(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cn5)n34)nc2)n1C,DAVYSCYZIHIJDJ-UHFFFAOYSA-N,2,1,0.275,70,652,480.511,3.751,6,0.37,0.6,0.884,0.16359399629908847,0.1827496401891577,0.1837091357686245,0.16471626345007195,0.17369225892673565
EOS-2-35941,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)c(C)n6)cc5F)n34)cn2)cn1C,SGQPUUZGCKXNRI-UHFFFAOYSA-N,2,1,0.333,86,968,480.511,3.805,6,0.378,0.61,0.999,0.28128640943047084,0.37068226989239944,0.2610941676375848,0.19215612363785894,0.2763047426495785
EOS-2-35942,COc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccs6)cn5)n34)nc2)cn1,CVMXWHMECVJHDT-UHFFFAOYSA-N,2,1,0.393,41,318,480.513,4.568,6,0.338,0.74,1.0,0.44492324035364267,0.34158899321499553,0.36060756630799806,0.24143307518333218,0.3471382187649921
EOS-2-35943,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6ncccn6)n5)n34)cn2)n1,AASFNTGOYRMTCX-UHFFFAOYSA-N,2,1,0.429,80,34,480.517,3.444,6,0.349,0.53,1.0,0.3998012473442533,0.4041104105270372,0.06394352683160853,0.04997087245562333,0.22945651428963063
EOS-2-35944,COc1nc(-c2nnsc2C)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,BEFNHJOVDPZJFD-UHFFFAOYSA-N,2,1,0.313,86,790,480.517,3.541,6,0.361,0.57,0.972,0.18884929065862519,0.18713590569529162,0.07657974093619355,0.059600095949557945,0.12804125830991708
EOS-2-35945,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cn2)cs1,BNPFBWYBGYUFJR-UHFFFAOYSA-N,2,1,0.418,80,855,480.517,3.444,6,0.349,0.71,1.0,0.40615790555822084,0.4135854293742718,0.15190014392433693,0.11497669796449866,0.27165504420533204
EOS-2-35946,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cccnn6)c5)n34)nc2)cs1,XIGJIQUWLIJCAL-UHFFFAOYSA-N,2,1,0.421,6,826,480.517,3.444,6,0.349,0.63,0.479,0.41725207319580565,0.3022154067575903,0.15190871084915358,0.12414330751833322,0.2488798745802207
EOS-2-35947,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nn5)n34)cn2)cs1,YIQACMJLVVHLGH-UHFFFAOYSA-N,2,1,0.411,6,843,480.517,3.444,6,0.349,0.7,0.973,0.35911692138989787,0.38033719416078404,0.15191727777397027,0.11724693304091563,0.252154581591392
EOS-2-35948,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cnnn5C)n34)c2)s1,SWBOUGKPXAIJBF-UHFFFAOYSA-N,2,1,0.506,36,460,419.474,2.368,5,0.413,0.62,1.0,0.31851826468370914,0.3270937564251936,0.018975738468919198,0.016559865670618873,0.1702869063121102
EOS-2-35949,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(C)cs4)n23)cn1,CILVXBWLMJNFPY-UHFFFAOYSA-N,2,1,0.43,92,185,419.474,2.809,5,0.413,0.69,1.0,0.19708210540744295,0.1787317524501405,0.017270920430402303,0.011453978479884861,0.10113468919196766
EOS-2-35950,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)cn2)s1,LVUQSNRVDHCRSS-UHFFFAOYSA-N,2,1,0.505,92,779,419.474,2.368,5,0.413,0.62,1.0,0.36820642862038244,0.3225361524227263,0.03015557535467069,0.020209375642519362,0.1852768830100747
EOS-2-35951,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccns4)n23)nc(C)n1,PRVLAKHYTVIQKS-UHFFFAOYSA-N,2,1,0.419,31,330,419.474,2.809,5,0.413,0.62,1.0,0.17717257213350696,0.046329929408539514,0.03393358919882119,0.02103180042491947,0.06961697279144678
EOS-2-35952,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)c2)s1,RNUFXBSNQMMGAT-UHFFFAOYSA-N,2,1,0.477,92,142,419.474,2.368,5,0.413,0.64,1.0,0.3003049825234734,0.16597560139812212,0.04216640394763896,0.02983003221163731,0.13456925502021794
EOS-2-35953,CCn1nncc1-c1ccc(-c2nnc3cncc(OCc4nc(C)cs4)n23)cn1,OOHMRVQLCJNVAK-UHFFFAOYSA-N,2,1,0.426,92,464,419.474,2.809,5,0.413,0.73,1.0,0.14697416215475292,0.19128229730655882,0.018161880611335755,0.01188232472071825,0.09207516619834145
EOS-2-35954,CCOc1cncc2nnc(-c3ccc(-c4cnc(-c5cncn5CC)s4)nn3)n12,DJHGCWQUUARONR-UHFFFAOYSA-N,2,1,0.372,53,44,419.474,2.987,5,0.413,0.55,0.466,0.23853745459529846,0.1745510931396066,0.022728051538619697,0.015420464670002056,0.1128092659858817
EOS-2-35955,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nc(C)nn5C)nc4)n23)n1,IDTSPZSQMNVJGR-UHFFFAOYSA-N,2,1,0.451,92,464,419.474,2.634,5,0.428,0.65,1.0,0.20828764306764444,0.21501267904872867,0.012679048728668357,0.005525666506750737,0.11037625933794806
EOS-2-35956,Cc1nsc(COc2cncc3nnc(-c4ccnc(-c5cn(C)nc5C)c4)n23)n1,UWRTYTJBCHDWCV-UHFFFAOYSA-N,2,1,0.448,92,986,419.474,2.634,5,0.428,0.59,1.0,0.16096395038037145,0.13929819751901856,0.022736618463436366,0.01189089164553492,0.08372241450209032
EOS-2-35957,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)s4)n23)cn1,VXZYCNBHPOWBNA-UHFFFAOYSA-N,2,1,0.494,28,667,480.528,5.695,6,0.305,0.75,1.0,0.7457508052909327,0.7835737783565211,0.7771485847440203,0.7709118634774861,0.7693462579672401
EOS-2-35958,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncs5)cc4)n23)cc1,YRWLUKRWHCVGPA-UHFFFAOYSA-N,2,1,0.561,41,427,480.528,5.695,6,0.305,0.71,1.0,0.895449249537386,0.7748269481187033,0.8257830169282434,0.8029093276677404,0.8247421355630182
EOS-2-35959,Fc1ccc(-c2nscc2COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)cc1,QOFPWOLKRWUNBD-UHFFFAOYSA-N,2,1,0.461,12,427,480.528,5.695,6,0.305,0.74,1.0,0.6667808923308889,0.6489445548625865,0.7008344184771435,0.7503683777671167,0.6917320608594338
EOS-2-35960,Fc1cncc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)c1,RXAQPLCGGBCMCB-UHFFFAOYSA-N,2,1,0.5,12,285,480.528,5.695,6,0.305,0.79,1.0,0.8594424645329313,0.7402851072578988,0.6983328764306764,0.7214036049619629,0.7548660132958673
EOS-2-35961,Fc1cccc(-c2csc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)c1,WQOQIHHVBWVEFX-UHFFFAOYSA-N,2,1,0.517,12,363,480.528,5.695,6,0.305,0.8,1.0,0.5657083133438421,0.6978445617161264,0.6462716743197862,0.6855081899801247,0.6488331848399698
EOS-2-35962,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cs2)cc1,ITVYEJCWRJIVML-UHFFFAOYSA-N,2,1,0.598,12,427,480.528,5.695,6,0.305,0.83,1.0,0.6728291412514564,0.7877630045918717,0.6929785484202591,0.6994551435816599,0.7132564594613118
EOS-2-35963,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cn5)n34)cc2)n1,XULGICWJRVVOHW-UHFFFAOYSA-N,2,1,0.553,41,592,480.528,5.695,6,0.285,0.5,1.0,0.6969107669111095,0.6782091700363237,0.7943081351518059,0.7684103214310192,0.7344595983825646
EOS-2-35964,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1-c1ccsc1,LJTHFNFMBZLJKB-UHFFFAOYSA-N,2,1,0.552,28,120,480.528,5.695,6,0.305,0.7,1.0,0.7604002467274347,0.7214464395860462,0.7267065314234802,0.7107120827907615,0.7298163251319306
EOS-2-35965,COc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1nc[nH]n1,ILJNVHYCNAVYHV-UHFFFAOYSA-N,2,1,0.517,15,604,419.47,3.268,5,0.432,0.57,1.0,0.5183846206565691,0.3610873140977315,0.2905044205332054,0.19216469056267563,0.3405352614625454
EOS-2-35966,COc1cc(-c2nnc3cncc(OCc4nccs4)n23)ccc1-c1cncn1C,FOADVVMLIYDYFK-UHFFFAOYSA-N,2,1,0.607,4,248,419.47,3.236,5,0.417,0.68,1.0,0.32843876362141045,0.2508738263313001,0.27600918374340344,0.15947330546227126,0.2536987697895963
EOS-2-35967,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1O,VUCQPKAPFONKLG-UHFFFAOYSA-N,2,1,0.506,15,475,419.47,2.975,5,0.451,0.54,1.0,0.3751884723459667,0.26619148790350217,0.25732472071825097,0.21256253855116167,0.2778168048797204
EOS-2-35968,COc1cscc1COc1cncc2nnc(-c3cncc(-c4ccn(C)n4)c3)n12,MXKKSWYHSQKGBA-UHFFFAOYSA-N,2,1,0.422,92,36,419.47,3.236,5,0.417,0.62,1.0,0.2868377767116716,0.1912908642313755,0.33078610102117745,0.18384620656569117,0.24819023713247892
EOS-2-35969,COc1cc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1ncnn1C,PFYJJFIPGFPYNY-UHFFFAOYSA-N,2,1,0.607,36,248,419.47,3.236,5,0.417,0.74,1.0,0.3382393256116784,0.28697484750873825,0.2216863134809129,0.13696799396888493,0.2459671201425536
EOS-2-35970,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)cn2)cn1,ARPCZTDYTDETAR-UHFFFAOYSA-N,2,1,0.517,92,860,419.47,2.683,5,0.433,0.77,1.0,0.22465903639229662,0.22004146391611268,0.2007401823041601,0.16472483037488864,0.2025413782468645
EOS-2-35971,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cn(C)cn1,FUCDMESLSOOXAN-UHFFFAOYSA-N,2,1,0.506,16,591,419.47,3.236,5,0.417,0.64,1.0,0.42435405386882324,0.2662000548283188,0.305111027345624,0.18121616064697416,0.29422032417243504
EOS-2-35972,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)c(O)c4)n23)cs1,KVFPSEZWAXKCMX-UHFFFAOYSA-N,2,1,0.483,4,677,419.47,3.241,5,0.466,0.61,1.0,0.2731478308546364,0.3125556850113083,0.2718799259817696,0.17283770817627306,0.2576052875059968
EOS-2-35973,Cn1cc(-c2csc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)c2)nn1,BBNNEFZKCPMCCY-UHFFFAOYSA-N,2,1,0.506,36,926,419.47,2.72,5,0.451,0.68,1.0,0.4061664724830375,0.36109588102254814,0.3680522239736824,0.2889538071413885,0.3560670961551642
EOS-2-35974,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)c(-c2cnc3ccccc3c2)n1,KQLDLBDXHROHRM-UHFFFAOYSA-N,2,1,0.305,69,987,480.531,6.637,7,0.281,0.62,1.0,0.16360256322390515,0.14290487286683573,0.7584041532451511,0.7848245493797547,0.46243403467891164
EOS-2-35975,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4)n23)c(-c2ccc(F)nc2)n1,DABFVDMGWHDGGG-UHFFFAOYSA-N,2,1,0.317,9,532,480.532,5.19,6,0.321,0.66,1.0,0.2812949763552875,0.3803457610856007,0.49402028647796586,0.45659995887876087,0.4030652456994037
EOS-2-35976,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(C)nn6)s5)n34)cc2F)cn1,XGVGNQOTFXWDSD-UHFFFAOYSA-N,2,1,0.325,76,653,480.532,5.19,6,0.343,0.7,0.987,0.2678363374683024,0.4086937153039545,0.5010794325269001,0.4752501542046467,0.41321490987595094
EOS-2-35977,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5sc(C)nc5-c5ccc(F)nc5)n34)cc2)cn1,NNOZJDCOODXCSZ-UHFFFAOYSA-N,2,1,0.321,42,171,480.532,5.19,6,0.321,0.72,1.0,0.16097251730518813,0.3514666575286135,0.46661469398944555,0.44389520937564253,0.3557372695497224
EOS-2-35978,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc(C)cs6)cc5F)n34)cn2)nn1,PRJDRWCWRHOFEX-UHFFFAOYSA-N,2,1,0.313,32,532,480.532,5.19,6,0.343,0.65,1.0,0.17440545541772326,0.38035432801041735,0.4666232609142622,0.4346857651977246,0.3640172023850319
EOS-2-35979,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnnn6C)nn5C(C)(C)C)n34)cc2)n1,GSGCAYQRLVSLGT-UHFFFAOYSA-N,2,1,0.276,98,882,480.54,3.001,6,0.377,0.66,1.0,0.038525460900555135,0.08333904461654444,0.04538756767870605,0.012721883352751696,0.04499348913713933
EOS-2-35980,Clc1cc(Br)ccc1Oc1cncc2nnc(-c3ccc(Br)cc3)n12,QYTJGBZLNHHLTE-UHFFFAOYSA-N,2,1,0.632,23,254,480.547,5.762,4,0.374,0.86,1.0,0.9080683297923378,0.9551949832088273,0.9534730313206772,0.9712836680145295,0.947005003084093
EOS-2-35981,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)cn1,ZJOIRTWEWSLPCK-UHFFFAOYSA-N,2,1,0.276,10,195,419.452,3.44,6,0.435,0.8,1.0,0.0020988965800836134,0.006382358988417517,0.40156603385648687,0.3906689054896854,0.20017904872866837
EOS-2-35982,Cn1cc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)cn2)cn1,GQYNRDCCPKVJSS-UHFFFAOYSA-N,2,1,0.286,10,317,419.452,3.44,6,0.435,0.71,1.0,0.007161949146734288,0.009877664313617984,0.319837571105476,0.33893324652182855,0.1689526077719142
EOS-2-35983,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)cn5)n34)nc2)n[nH]1,MRSKXAAAZWIQNX-UHFFFAOYSA-N,2,1,0.245,10,301,419.452,3.738,6,0.467,0.64,0.081,0.02576930984853677,0.027011513946953603,0.34951339867041326,0.35174936604756357,0.1885108971283668
EOS-2-35984,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)n1,FEHDGMKBNREZOQ-UHFFFAOYSA-N,2,1,0.282,38,787,419.452,3.644,6,0.468,0.66,1.0,0.0917860324857789,0.08667157837022822,0.4488468919196765,0.4124374614488383,0.25993549105613045
EOS-2-35985,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,MNRPHVKPDLWYAJ-UHFFFAOYSA-N,2,1,0.35,3,39,419.452,3.44,6,0.435,0.7,1.0,0.014143992872318552,0.012739017202385032,0.29051298745802207,0.31689054896854224,0.15857163662531698
EOS-2-35986,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4c[nH]nn4)cc3)n12,FYGFQOAJAGHDJE-UHFFFAOYSA-N,2,1,0.269,9,498,419.452,3.644,6,0.468,0.64,1.0,0.04010177506682201,0.029744362963470633,0.29408539510657256,0.364865327941882,0.1821992152696868
EOS-2-35987,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,YFBDEILFFPZXFW-UHFFFAOYSA-N,2,1,0.306,9,537,419.452,3.644,6,0.468,0.67,1.0,0.09655780960866288,0.06906654787197587,0.48052737989171407,0.447313412377493,0.2733662874374615
EOS-2-35988,Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cc1,GBIWOMOJOHVPBG-UHFFFAOYSA-N,2,1,0.302,9,7,419.452,3.738,6,0.467,0.74,1.0,0.004043588513467206,0.03586971420738812,0.4805359468165307,0.44732197930230966,0.24194280720992392
EOS-2-35989,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,XUUKFYPNFBOXEA-UHFFFAOYSA-N,2,1,0.319,9,537,419.452,3.644,6,0.468,0.69,1.0,0.18885785758344184,0.07980090466726064,0.4234887944623398,0.39652011513946955,0.272166917963128
EOS-2-35990,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,WAMWJYIANKDNMG-UHFFFAOYSA-N,2,1,0.278,9,537,419.452,3.644,6,0.468,0.64,1.0,0.07384689191967651,0.05749263244465767,0.2466760331711329,0.3044256733602906,0.17061030772393943
EOS-2-35991,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,RSLJSKYMQUVOML-UHFFFAOYSA-N,2,1,0.312,9,642,419.452,3.644,6,0.468,0.71,1.0,0.1064783085463642,0.06907511479679254,0.4086594476046878,0.4283291069837571,0.2531354944829004
EOS-2-35992,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)c2)nn1,JEOUKTGMDVULMX-UHFFFAOYSA-N,2,1,0.307,9,764,419.452,3.644,6,0.468,0.67,1.0,0.05207833596052361,0.07283599479130971,0.4561116441642108,0.4598382564594613,0.26021605784387636
EOS-2-35993,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)n1,RRGFDSDJWSGJTI-UHFFFAOYSA-N,2,1,0.301,9,537,419.452,3.644,6,0.468,0.67,1.0,0.0892844904393119,0.07636556781577684,0.46663182783907886,0.4314303337673909,0.2659280549653896
EOS-2-35994,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cn1,ZUKGQZFSIDTNFQ-UHFFFAOYSA-N,2,1,0.294,10,195,419.452,3.44,6,0.435,0.73,1.0,0.007170516071550956,0.02256527996710301,0.3981735316290864,0.3838839010348845,0.2029483071756562
EOS-2-35995,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,ZTQUGKBCILMTAT-UHFFFAOYSA-N,2,1,0.324,67,668,419.452,3.44,6,0.435,0.74,1.0,0.01184805702145158,0.022573846891919675,0.3307946679459941,0.35479062435748066,0.1800017990542115
EOS-2-35996,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)cn5)n34)cn2)cn1,VFLWJDIEHAPZNB-UHFFFAOYSA-N,2,1,0.278,10,705,419.452,3.44,6,0.435,0.73,1.0,0.016714070317318894,0.024895483517236652,0.39066033856486876,0.37792132136248374,0.20254780344047701
EOS-2-35997,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)cn1,QDIKTTWHTGGLEO-UHFFFAOYSA-N,2,1,0.299,9,537,419.452,3.644,6,0.468,0.59,1.0,0.09656637653347955,0.057501199369474336,0.5154033308203687,0.4812298677266808,0.2876751936125009
EOS-2-35998,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)n[nH]1,VWFLCIJJOBCTAD-UHFFFAOYSA-N,2,1,0.269,10,195,419.452,3.738,6,0.467,0.75,0.443,0.010348845178534714,0.046338496333356176,0.3532314440408471,0.3547991912822973,0.19117949420875882
EOS-2-35999,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)n[nH]1,ODYBCXCMIBLFKW-UHFFFAOYSA-N,2,1,0.297,9,537,419.452,3.942,6,0.447,0.67,1.0,0.1802994996915907,0.13550304982523473,0.4875779590158317,0.4566085258035775,0.31499725858405864
EOS-2-36000,Cc1ccc(C#Cc2ccc(-c3nnc4cncc(OCc5ccncc5)n34)cc2)nn1,RRTPQRSYIDTSSD-UHFFFAOYSA-N,2,1,0.556,89,230,419.448,3.264,5,0.413,0.75,1.0,0.557252758549791,0.4841426221643479,0.6431447467617024,0.5199266671235693,0.5511166986498527
EOS-2-36001,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cn5)n34)cc2)n[nH]1,BNDGJEWOCBBQRG-UHFFFAOYSA-N,2,1,0.296,38,818,419.448,4.812,6,0.44,0.61,1.0,0.1803080666164074,0.1355116167500514,0.6306627373038174,0.6063669385237476,0.38821233979850595
EOS-2-36002,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)cn1,OOEBDPIXXYNFKF-UHFFFAOYSA-N,2,1,0.324,69,30,419.448,4.514,6,0.418,0.76,1.0,0.1636111301487218,0.07980947159207731,0.7135391679802618,0.6648190665478719,0.40544470906723323
EOS-2-36003,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,FBPCCSMVLTWHJI-UHFFFAOYSA-N,2,1,0.338,69,867,419.448,4.514,6,0.418,0.7,1.0,0.24941744911246658,0.07637413474059351,0.6193201288465492,0.5789784798848605,0.38102254814611747
EOS-2-36004,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)cc4)n23)cc1,YUKAKUSJEBQGRB-UHFFFAOYSA-N,2,1,0.338,69,898,419.448,4.514,6,0.418,0.71,1.0,0.1771811390583236,0.07638270166541018,0.5914519224179289,0.5630182989514084,0.35200851552326773
EOS-2-36005,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)cn5)n34)cc2)cn1,YVXMEBNOYBEXRH-UHFFFAOYSA-N,2,1,0.57,1,744,419.448,4.007,5,0.424,0.82,1.0,0.5853265711740113,0.6489531217874032,0.7540093208142006,0.6706617092728394,0.6647376807621136
EOS-2-36006,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)nc1,VQYAVQVUFDKVRC-UHFFFAOYSA-N,2,1,0.306,38,787,419.448,4.514,6,0.418,0.74,1.0,0.069966074977726,0.03587828113220479,0.5914604893427455,0.559677198272908,0.3142455109313961
EOS-2-36007,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cc5)n34)cc2)n[nH]1,JRYGXLLJCWDYPF-UHFFFAOYSA-N,2,1,0.301,69,898,419.448,4.812,6,0.44,0.68,1.0,0.1771897059831403,0.18275820711397436,0.6545730244671373,0.6214789939003496,0.40899998286615036
EOS-2-36008,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(C#N)nc5)nc4)n23)cc1,KOHHMLRYLUPUGK-UHFFFAOYSA-N,2,1,0.641,89,230,419.448,4.007,5,0.424,0.83,1.0,0.8215766568432595,0.6685628126927559,0.7421783976423822,0.6447467617024193,0.7192661572202043
EOS-2-36009,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5C#N)n34)cc2)nn1,JZVVHMLGEQDKRX-UHFFFAOYSA-N,2,1,0.524,77,347,419.448,4.007,5,0.424,0.76,1.0,0.7092985401960112,0.6782177369611404,0.7135477349050785,0.6475995476663697,0.68716588993215
EOS-2-36010,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)cc2)n1,VUPXPOQYNZWCHI-UHFFFAOYSA-N,2,1,0.654,1,347,419.448,4.007,5,0.424,0.8,1.0,0.7947536152422726,0.6108131725035981,0.7059488725926941,0.6002073195805634,0.6779307449797821
EOS-2-36011,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccno5)cc4)n23)cc1,RBQWQFWHQYNBDH-UHFFFAOYSA-N,2,1,0.324,69,98,419.448,4.514,6,0.418,0.69,1.0,0.10648687547118087,0.057509766294291,0.6630542800356384,0.6271245973545336,0.36354387978891095
EOS-2-36012,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)o1,HALZTDCJZGPYMG-UHFFFAOYSA-N,2,1,0.317,30,668,419.448,4.607,6,0.415,0.73,1.0,0.04578164622027277,0.08974710437941197,0.5590603796861079,0.5230792954561031,0.3044171064354739
EOS-2-36013,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(C#N)c5)n4)n23)cc1,BTKIWRAXZSZEJZ-UHFFFAOYSA-N,2,1,0.506,89,230,419.448,4.007,5,0.424,0.79,1.0,0.6910252895620588,0.7214550065108628,0.6956685628126927,0.6532622849701871,0.6903527859639504
EOS-2-36014,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1,NXRPFEINOCTCRZ-UHFFFAOYSA-N,2,1,0.338,69,867,419.448,4.514,6,0.418,0.7,1.0,0.24942601603728326,0.07639126859022685,0.619328695771366,0.5789870468096772,0.3810332568021383
EOS-2-36015,Cn1nccc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,HGQHWUAHUCYOSR-UHFFFAOYSA-N,2,1,0.319,69,38,419.448,4.514,6,0.418,0.69,1.0,0.1223356863820163,0.0327599204989377,0.6576399835515043,0.6185234048385991,0.35781474881776437
EOS-2-36016,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)o4)n23)nc1,JHSWGEUURWHGHY-UHFFFAOYSA-N,2,1,0.297,32,945,419.448,4.514,6,0.418,0.77,1.0,0.11966280583921596,0.0297529298882873,0.4270098005619903,0.4406911794942088,0.25427917894592555
EOS-2-36017,Cn1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)nc4)n23)c1-c1cccnc1,IMFMUNUYIMOFPI-UHFFFAOYSA-N,2,1,0.315,42,723,419.448,4.514,6,0.418,0.6,0.978,0.10156089370159688,0.09283976423822904,0.5757744500034268,0.569503461037626,0.33491964224521964
EOS-2-36018,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)n1,GZSPJRZCTCKGJA-UHFFFAOYSA-N,2,1,0.306,38,787,419.448,4.514,6,0.418,0.73,1.0,0.07196216846000959,0.04988520320745665,0.5757830169282434,0.5436313480912891,0.31031543417174967
EOS-2-36019,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)n1,ZZQZSXMVQULULH-UHFFFAOYSA-N,2,1,0.324,38,126,419.448,4.514,6,0.418,0.71,1.0,0.14148276334726886,0.029761496813103968,0.43448872592694127,0.43469433212254127,0.26010682955246384
EOS-2-36020,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnco6)c5)n34)cc2)cn1,LAJTUUPHMRTSBG-UHFFFAOYSA-N,2,1,0.315,69,38,419.448,4.514,6,0.418,0.77,1.0,0.16905969433212253,0.053671783976423824,0.7008429854019601,0.6588479199506545,0.3956055959152902
EOS-2-36021,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5ccon5)cc4)n23)c1-c1ccccc1,ZDUWMOUTSRPCGO-UHFFFAOYSA-N,2,1,0.348,69,220,419.448,4.514,6,0.418,0.74,1.0,0.08929305736412857,0.046347063258172845,0.4768179014460969,0.5263432938112536,0.284700328969913
EOS-2-36022,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6ccnc6)cc5)n34)cc2)o1,GRKZKBNGEZTGMS-UHFFFAOYSA-N,2,1,0.299,9,645,419.448,4.607,6,0.415,0.74,1.0,0.08020355013364402,0.046355630182989514,0.663062846960455,0.5944417791789459,0.34601595161400867
EOS-2-36023,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)c1,NDZYUANFVREBEG-UHFFFAOYSA-N,2,1,0.585,11,201,419.448,3.741,5,0.413,0.77,1.0,0.8881502295935851,0.7261154136111302,0.6901000616818587,0.6620262490576383,0.7415979884860531
EOS-2-36024,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1,SPLXXUFGMUMAKU-UHFFFAOYSA-N,2,1,0.577,11,529,419.448,3.741,5,0.413,0.82,1.0,0.8618069357823316,0.7491775752175999,0.7082876430676445,0.6795027756836406,0.7496937324378041
EOS-2-36025,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)c2)nn1,QZWOQPZOCQEYAJ-UHFFFAOYSA-N,2,1,0.32,9,764,419.448,4.514,6,0.418,0.83,1.0,0.05042491947090672,0.022582413816736344,0.5850866972791446,0.5913662531697622,0.31236507093413746
EOS-2-36026,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)cn1,DJVZTNICVZKLEH-UHFFFAOYSA-N,2,1,0.315,38,57,419.448,4.514,6,0.418,0.75,1.0,0.1443441162360359,0.04989377013227332,0.5154118977451854,0.49649612774998286,0.30153647796586935
EOS-2-36027,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncco5)c4)n23)cc1,ZWVXZZMWTYJJRY-UHFFFAOYSA-N,2,1,0.338,69,867,419.448,4.514,6,0.418,0.67,1.0,0.22755465698033034,0.05751833321910767,0.5390480433143718,0.4965046946747995,0.33015643204715234
EOS-2-36028,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnc5)nc4)n23)cc1,HTXFQAUGONCJET-UHFFFAOYSA-N,2,1,0.68,89,201,419.448,3.741,5,0.413,0.8,1.0,0.9742221232266466,0.9509543554245768,0.7008515523267768,0.6561493386334042,0.8205443424028511
EOS-2-36029,COc1cc(-c2nnc3cncc(OCCc4cccc5ccccc45)n23)ccc1-c1nncs1,BLFURFXMVSNTNA-UHFFFAOYSA-N,2,1,0.533,79,824,480.553,5.093,6,0.314,0.68,1.0,0.6910338564868754,0.5299157014598039,0.562255842642725,0.5134757727366185,0.5741702933315057
EOS-2-36030,FCc1cc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ncn2)ccn1,AJOTYQJGMGZFBV-UHFFFAOYSA-N,2,1,0.489,46,238,419.445,3.753,5,0.414,0.64,0.981,0.4403913371256254,0.38036289493523406,0.3720529778630663,0.33594338976081145,0.3821876499211843
EOS-2-36031,Cc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)n1,WHJIXHLKJGOSMB-UHFFFAOYSA-N,2,1,0.483,72,22,419.445,3.731,5,0.429,0.64,1.0,0.7246933040915633,0.6782263038859571,0.40866801452950446,0.3681207593722157,0.5449270954698101
EOS-2-36032,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5cncs5)n34)c2)c1,NDXHZYGQZRKCQK-UHFFFAOYSA-N,2,1,0.444,18,840,419.445,3.465,5,0.416,0.79,1.0,0.6056987183880475,0.5162514563772188,0.3871136316907683,0.41548728668357204,0.4811377732849017
EOS-2-36033,Fc1cc(-c2cnsc2)cc(-c2nnc3cncc(OCCc4cncnc4)n23)c1,SUVOMTAPTACHFE-UHFFFAOYSA-N,2,1,0.593,35,361,419.445,3.465,5,0.416,0.55,1.0,0.616904256048249,0.6344407511479679,0.5424062778425056,0.5466640394763895,0.585103831128778
EOS-2-36034,Cc1nc(-c2ccccc2F)cc(-c2nnc3cncc(OCc4ccns4)n23)n1,MJJXMLBNKCKXIT-UHFFFAOYSA-N,2,1,0.433,44,531,419.445,3.731,5,0.429,0.67,1.0,0.5211603042971695,0.502758549790967,0.30140154890000687,0.3359519566856281,0.4153180899184429
EOS-2-36035,Cc1nc(COc2cncc3nnc(-c4cc(-c5cncc(F)c5)ccn4)n23)cs1,HENNJPWXNFUCEW-UHFFFAOYSA-N,2,1,0.466,46,160,419.445,3.731,5,0.429,0.76,1.0,0.44987492289767667,0.41819443492563907,0.3758823932561168,0.3617126996093482,0.4014161126721952
EOS-2-36036,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cscc5F)n34)ccn2)cn1,SVONBBYWHIKHAM-UHFFFAOYSA-N,2,1,0.488,7,99,419.445,3.731,5,0.429,0.66,1.0,0.7152868206428621,0.6294976355287506,0.4701699677883627,0.4056524569940374,0.5551517202385032
EOS-2-36037,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c1F,OVCRNBNCZQACQV-UHFFFAOYSA-N,2,1,0.488,24,912,419.445,3.731,5,0.429,0.58,1.0,0.6728377081762731,0.566976218216709,0.4194366390240559,0.34852820231649645,0.5019446919333836
EOS-2-36038,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)cnn2)nc1,MQGANBSUOILGQO-UHFFFAOYSA-N,2,1,0.494,65,778,419.445,3.465,5,0.416,0.59,1.0,0.7457593722157494,0.6489616887122198,0.4015746007813035,0.41863134809128916,0.5537317524501405
EOS-2-36039,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cccs5)ncn4)n23)c1,QVRXDIJJBSIONO-UHFFFAOYSA-N,2,1,0.447,18,481,419.445,3.465,5,0.416,0.71,0.979,0.6395637721883353,0.5299242683846207,0.3086320334452745,0.3359605236104448,0.45352014940716884
EOS-2-36040,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ccn2)s1,INNASMZOPYBKEK-UHFFFAOYSA-N,2,1,0.483,75,496,419.445,3.731,5,0.429,0.74,1.0,0.6700106229867727,0.5872969638818449,0.47017853471317933,0.41549585360838875,0.5357454937975464
EOS-2-36041,Cc1nnsc1-c1cc(COc2cncc3nnc(-c4ccccc4F)n23)ccn1,VJTQJOHOLFDYQH-UHFFFAOYSA-N,2,1,0.529,4,534,419.445,3.731,5,0.429,0.66,1.0,0.4708810225481461,0.582242478240011,0.31237577959015833,0.35480775820711397,0.4300767596463573
EOS-2-36042,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)nc1,SJOQYMUZNXQAJG-UHFFFAOYSA-N,2,1,0.547,87,307,419.445,3.465,5,0.416,0.71,1.0,0.72470187101638,0.8000736755534233,0.37589096018093343,0.36487389486669863,0.5663851004043589
EOS-2-36043,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)cn2)cn1,UYLWWCXMGAFKMR-UHFFFAOYSA-N,2,1,0.595,87,796,419.445,3.465,5,0.389,0.73,1.0,0.7366184634363648,0.7920893016242889,0.312384346514975,0.32284456171612635,0.5409841683229387
EOS-2-36044,Fc1cc(-c2nnc3cncc(OCCc4cnsc4)n23)ccc1-c1ccnnc1,MMDXOGQPCZTYAB-UHFFFAOYSA-N,2,1,0.593,35,202,419.445,3.465,5,0.416,0.6,1.0,0.7247104379411966,0.7308015214858474,0.5424148447673223,0.5531235007881571,0.6377625762456308
EOS-2-36045,Fc1ccnc(CCOc2cncc3nnc(-c4ncc(-c5ccsc5)cn4)n23)c1,HDIJAVQZWAWPHO-UHFFFAOYSA-N,2,1,0.477,87,631,419.445,3.465,5,0.416,0.67,1.0,0.6169128229730656,0.5027671167157837,0.2940939620313892,0.33596909053526147,0.437435748063875
EOS-2-36046,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnns5)cc4)n23)cn1,CPUHIYMZPXQSNZ-UHFFFAOYSA-N,2,1,0.61,72,669,419.445,3.465,5,0.389,0.62,1.0,0.7152953875676787,0.7449026797340826,0.5117966554725516,0.49030224110753207,0.6155742409704612
EOS-2-36047,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5cccnc5F)c4)n23)sn1,FIDHDCUXNNXFLY-UHFFFAOYSA-N,2,1,0.566,75,183,419.445,3.731,5,0.401,0.7,1.0,0.5315948187238709,0.4984065519840998,0.36438558015214856,0.3359776574600781,0.43259115208004933
EOS-2-36048,Cc1cnsc1COc1cncc2nnc(-c3ccnc(-c4ccc(F)nc4)c3)n12,PFTDPPCMBDPWOF-UHFFFAOYSA-N,2,1,0.494,55,525,419.445,3.731,5,0.401,0.65,1.0,0.5853351380988281,0.5873055308066616,0.37969467479953395,0.3617212665341649,0.4785141525597971
EOS-2-36049,Fc1cnnc(-c2cccc(-c3nnc4cncc(OCCc5nccs5)n34)c2)c1,KGWUYEUFTJQPDT-UHFFFAOYSA-N,2,1,0.605,72,628,419.445,3.465,5,0.416,0.63,1.0,0.7544976355287506,0.6636196970735385,0.29786340895072305,0.34208587485436226,0.5145166541018436
EOS-2-36050,N#Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(CO)cc5)n34)cc2)cc1,UEMBHNGQYPQROB-UHFFFAOYSA-N,2,1,0.545,79,528,419.444,4.615,5,0.447,0.86,1.0,0.9356966623260914,0.8778870536632171,0.9417363443218423,0.9243454869440065,0.9199163868137894
EOS-2-36051,Cc1coc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cc2)n1,BHCYIMOAGAYWPV-UHFFFAOYSA-N,2,1,0.333,69,898,419.444,5.682,6,0.365,0.81,1.0,0.21632341854567885,0.17455966006442328,0.7189534644643959,0.6765557535467068,0.44659807415530123
EOS-2-36052,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)c2)n1C,GTJBOSNMYMCFNM-UHFFFAOYSA-N,2,1,0.426,6,826,480.557,4.598,6,0.344,0.71,1.0,0.3614042903159482,0.24580220683983278,0.22169488040572957,0.20927283942156125,0.2595435542457679
EOS-2-36053,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cn1,SULDXKKSEQBGDT-UHFFFAOYSA-N,2,1,0.441,28,297,480.557,4.772,6,0.325,0.7,1.0,0.49091905969433214,0.2973408265369063,0.4157699952025221,0.3389418134466452,0.38574292372010144
EOS-2-36054,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n(C)n2)s1,XKXBVEDEMUMNMT-UHFFFAOYSA-N,2,1,0.476,12,285,480.557,4.598,6,0.344,0.72,1.0,0.3955691864848194,0.40870228222877114,0.167577616338839,0.19743334932492632,0.29232060859433895
EOS-2-36055,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)nc2)cn1,SGKMPHWKOKJMFF-UHFFFAOYSA-N,2,1,0.489,40,932,480.557,4.691,6,0.341,0.67,1.0,0.29525049688163935,0.2508823932561168,0.40518984305393735,0.2771400178192036,0.30711568775272424
EOS-2-36056,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4csnc4-c4ccccc4)n23)c1,NOXRTDFSCBMGHO-UHFFFAOYSA-N,2,1,0.384,28,942,480.557,4.772,6,0.325,0.61,1.0,0.2599461997121513,0.13193920910150092,0.27188849290658623,0.25008566924816666,0.22846489274210127
EOS-2-36057,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncs6)c5)n34)cc2C)n[nH]1,OGBDKNICBVJLGP-UHFFFAOYSA-N,2,1,0.489,40,78,480.557,4.896,6,0.361,0.58,1.0,0.41283153999040506,0.34159756013981224,0.5220255637036529,0.4091648961688712,0.4214048900006854
EOS-2-36058,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)ccc1-c1nncn1C,BHSPLTMPKSIWSI-UHFFFAOYSA-N,2,1,0.506,40,415,480.557,4.598,6,0.344,0.66,1.0,0.3453841409087794,0.24581077376464944,0.38342128709478446,0.3260314577479268,0.325161914879035
EOS-2-36059,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6sc(C)nc6C)cn5)n34)cc2)n[nH]1,IBXBYIZWNGBLOZ-UHFFFAOYSA-N,2,1,0.356,41,622,480.557,5.417,6,0.351,0.66,1.0,0.3911229525049688,0.3756425193612501,0.31239291343979164,0.21807107120827907,0.3243073641285724
EOS-2-36060,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cscc4-c4cccnc4)n23)cc1,HYQMCMORYCJKQJ-UHFFFAOYSA-N,2,1,0.467,56,78,480.557,4.772,6,0.325,0.57,1.0,0.47872832568021384,0.3073983962716743,0.3570094578849976,0.32604002467274346,0.3672940511274073
EOS-2-36061,Oc1cc(F)ccc1-c1nnc2cncc(OCc3ccc(-c4ccns4)cc3)n12,UIIJQOJCBNOCPU-UHFFFAOYSA-N,2,1,0.57,97,326,419.441,4.339,5,0.456,0.71,1.0,0.8241981358371598,0.7308100884106641,0.792269207045439,0.7660201494071688,0.778324395175108
EOS-2-36062,OCc1ncc(-c2cnnc(-c3nnc4cncc(OCc5cncs5)n34)c2)cn1,OSHWZEXRKARFLF-UHFFFAOYSA-N,2,1,0.387,92,182,419.43,1.566,5,0.431,0.6,1.0,0.2895963265026386,0.20516928243437735,0.08107737646494415,0.06581968336645877,0.1604156671921047
EOS-2-36063,COc1cncc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ncn2)n1,CUIXVVSEIUXWTJ-UHFFFAOYSA-N,2,1,0.391,7,296,419.43,2.082,5,0.404,0.53,0.955,0.42203241724350626,0.17456822698923993,0.06795284764580906,0.039510657254471934,0.17601603728325677
EOS-2-36064,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cn1,QEYJZCNAIQZQDL-UHFFFAOYSA-N,2,1,0.413,7,296,419.43,1.566,5,0.431,0.56,0.796,0.2924148447673223,0.19129943115619216,0.0659738880131588,0.053706051675690494,0.15084855390309096
EOS-2-36065,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ncn2)cn1,ZYBNLNXCLUDQKD-UHFFFAOYSA-N,2,1,0.413,7,296,419.43,1.566,5,0.431,0.62,0.796,0.32075423206085946,0.19592557055719279,0.07658830786101022,0.058118017956274415,0.1628465321088342
EOS-2-36066,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnco5)s4)n23)cc1,CVSQWLMBRZVYSL-UHFFFAOYSA-N,2,1,0.549,89,731,419.426,2.581,5,0.444,0.74,1.0,0.4737595092865465,0.19593413748200947,0.13347268864368447,0.07703378795147693,0.22005003084092933
EOS-2-36067,CCn1ncnc1-c1cc(COc2cncc3nnc(-c4ccccc4F)n23)n(C)n1,FSBJWSZYMPBEGD-UHFFFAOYSA-N,2,1,0.506,36,404,419.424,2.521,5,0.417,0.64,1.0,0.31599102186279215,0.4491038996641765,0.056199026797340824,0.0751576314166267,0.22411289493523404
EOS-2-36068,Cc1cc(F)ccc1-c1nnc2cncc(OCc3cc(-c4nncn4C)nn3C)n12,CTZLSKBOMULFLF-UHFFFAOYSA-N,2,1,0.467,36,404,419.424,2.347,5,0.431,0.66,0.999,0.377604345144267,0.5115996162017682,0.1305085326571174,0.13031149338633405,0.28750599684737166
EOS-2-36069,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4)n23)c(F)n1,ZXAWQJDPCFGCNN-UHFFFAOYSA-N,2,1,0.549,36,475,419.424,2.081,5,0.415,0.64,1.0,0.4761325474607635,0.5299328353094374,0.20074874922897676,0.170053457610856,0.3442168974025084
EOS-2-36070,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)nn2C)cn1,NLQJGPCNTVWVNT-UHFFFAOYSA-N,2,1,0.462,95,569,419.424,2.081,5,0.415,0.73,0.989,0.3382478925364951,0.17457679391405662,0.17061887464875608,0.14659721746281953,0.2075101946405318
EOS-2-36071,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)nn2C)cn1,UCJZCKUURZXYAS-UHFFFAOYSA-N,2,1,0.398,92,694,419.424,2.521,5,0.39,0.64,1.0,0.18316941950517443,0.15043519978068673,0.2113803029264615,0.16219758755397162,0.17679562744157357
EOS-2-36072,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc6ncccc6c5)n34)cn2)cn1,XLSOMADQDRQDPL-UHFFFAOYSA-N,2,1,0.302,32,20,419.423,4.603,6,0.39,0.87,1.0,0.2978891097251731,0.45801350147351105,0.7817747241450209,0.8116047563566582,0.5873205229250908
EOS-2-36073,c1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nc[nH]n6)cnn5)n34)cc2)cn1,ADXKCFIGFQAYOO-UHFFFAOYSA-N,2,1,0.268,98,154,419.412,2.49,6,0.457,0.57,1.0,0.06069666232609142,0.1319477760263176,0.26110273456240146,0.2889623740662052,0.18567738674525391
EOS-2-36074,c1cnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,YBOXAPZMMNJKTN-UHFFFAOYSA-N,2,1,0.319,42,167,419.412,2.49,6,0.457,0.67,1.0,0.1469827290795696,0.12160749777259955,0.17730107600575698,0.1783633746830238,0.15606366938523747
EOS-2-36075,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)nc1,WBNCKXAMDNWLPN-UHFFFAOYSA-N,2,1,0.324,8,927,419.412,2.286,6,0.423,0.73,1.0,0.018513124528819137,0.03879103556987184,0.06796141457062572,0.10364265643204715,0.05722705777534096
EOS-2-36076,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)nn1,UBELFOGFQUKNST-UHFFFAOYSA-N,2,1,0.286,98,154,419.412,2.49,6,0.457,0.58,1.0,0.09414193681036255,0.08668014529504489,0.2503598108423,0.25641662668768417,0.1718996299088479
EOS-2-36077,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)c1,BLRIBCKXXLOLDN-UHFFFAOYSA-N,2,1,0.263,70,813,419.412,2.49,6,0.457,0.58,1.0,0.08236241518744432,0.09609519566856281,0.17062744157357276,0.18385477349050786,0.13323495648002193
EOS-2-36078,c1cncc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)cn2)c1,XCINJMIGZAMSQX-UHFFFAOYSA-N,2,1,0.252,86,874,419.412,2.286,6,0.423,0.68,1.0,0.002467274347200329,0.00770166541018436,0.18040230278939073,0.18646768555959153,0.09425973202659174
EOS-2-36079,c1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nn2)ccn1,BNQJINLXCUPMCG-UHFFFAOYSA-N,2,1,0.248,86,421,419.412,2.286,6,0.423,0.73,1.0,0.001927558083750257,0.005345761085600712,0.16135802892193818,0.18122472757179084,0.08746401891576999
EOS-2-36080,c1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nc[nH]n6)cn5)n34)cc2)cn1,RZQLOFTZMOMKKO-UHFFFAOYSA-N,2,1,0.286,94,167,419.412,2.49,6,0.457,0.61,1.0,0.11447124940031526,0.16995922143787265,0.21788259886231237,0.24144164210814886,0.1859386779521623
EOS-2-36081,c1ncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)cn2)cn1,JKHMCQMYNZOMPW-UHFFFAOYSA-N,2,1,0.258,94,874,419.412,2.49,6,0.457,0.67,0.99,0.11967137276403263,0.13930676444383525,0.19369817010485915,0.197441916249743,0.16252955589061752
EOS-2-36082,c1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nn2)nc1,DYSFUQKVBRJLNS-UHFFFAOYSA-N,2,1,0.293,86,618,419.412,2.286,6,0.423,0.59,1.0,0.006193886642450826,0.02033787951476938,0.09072373380851209,0.11947433349324926,0.059182458364745394
EOS-2-36083,c1ccc(-c2nnccc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)nn4)n23)cc1,UGGLNJXPPWQRMD-UHFFFAOYSA-N,2,1,0.295,98,541,419.412,2.49,6,0.457,0.52,0.996,0.12234425330683298,0.11819786169556576,0.09293400041121239,0.14395003769446918,0.11935653827702007
EOS-2-36084,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cn2)cn1,CWPNLRXLSVAQOS-UHFFFAOYSA-N,2,1,0.289,42,725,419.412,2.49,6,0.457,0.71,1.0,0.11718696456719896,0.13552018367486807,0.2978719758755397,0.3010417380577068,0.2129052155438284
EOS-2-36085,c1cncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)c1,JABRCBSEOCYYDV-UHFFFAOYSA-N,2,1,0.297,98,154,419.412,2.49,6,0.457,0.57,1.0,0.09179459941059558,0.12524844081968337,0.15473579603865398,0.1812332944966075,0.1382530326913851
EOS-2-36086,c1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,BXWBCTJXYSQPRI-UHFFFAOYSA-N,2,1,0.293,94,167,419.412,2.49,6,0.457,0.63,1.0,0.1196799396888493,0.13552875059968475,0.24308649167294907,0.24145020903296552,0.18493634774861217
EOS-2-36087,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)cc2)cn1,HRCHXZQWHXIGHP-UHFFFAOYSA-N,2,1,0.286,42,725,419.412,2.49,6,0.457,0.79,1.0,0.10156946062641355,0.1393153313686519,0.27601775066822015,0.3010503049825235,0.20448821191145228
EOS-2-36088,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)cn2)c1,VZDBIRNNFUIQQF-UHFFFAOYSA-N,2,1,0.305,70,899,419.412,2.49,6,0.457,0.73,1.0,0.10407956959769721,0.13932389829346858,0.20075731615379344,0.22985059283119733,0.16850284421903913
EOS-2-36089,c1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)n5)n34)nc2)c1,WDMGHENDVFQGJX-UHFFFAOYSA-N,2,1,0.283,76,368,419.408,3.36,6,0.423,0.64,0.971,0.12507710232335,0.08334761154136111,0.23971969021999862,0.2711603042971695,0.1798261770954698
EOS-2-36090,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)n5)n34)cc2)nc1,WINPXMOYQNCTLD-UHFFFAOYSA-N,2,1,0.329,38,865,419.408,3.36,6,0.423,0.67,1.0,0.1555239531217874,0.12161606469741622,0.22170344733054623,0.23268624494551435,0.18288242752381606
EOS-2-36091,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)nc5)n34)cc2)cn1,CGRXAWJZKYQWAH-UHFFFAOYSA-N,2,1,0.3,42,339,419.408,3.36,6,0.423,0.65,1.0,0.16906826125693922,0.11820642862038243,0.33080323487081076,0.34209444177917897,0.24004309163182785
EOS-2-36092,c1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccon6)cc5)n34)cn2)cnn1,LHPFVGBKZONICO-UHFFFAOYSA-N,2,1,0.276,42,339,419.408,3.36,6,0.423,0.7,1.0,0.15553252004660406,0.08975567130422864,0.34167466246316225,0.3617298334589816,0.23717317181824413
EOS-2-36093,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)o2)cc1,UIXHCTKAUJAOFA-UHFFFAOYSA-N,2,1,0.311,30,945,419.408,3.36,6,0.423,0.74,0.707,0.1309625796724008,0.12869234459598383,0.21789116578712905,0.2564251936125009,0.18349282091700364
EOS-2-36094,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)nc2)ccn1,JNZMTRAJORLZJX-UHFFFAOYSA-N,2,1,0.276,70,957,419.408,3.36,6,0.423,0.7,1.0,0.12235282023164964,0.09610376259337948,0.31984613803029266,0.3326108560071277,0.21772839421561235
EOS-2-36095,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cc2)cn1,HASBWPMNBOIWJP-UHFFFAOYSA-N,2,1,0.329,38,50,419.408,3.36,6,0.423,0.64,1.0,0.15554108697142074,0.12525700774450002,0.3454098416832294,0.3452727708861627,0.24287017682132822
EOS-2-36096,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cc2)cn1,PYMLNIIEVFBBTI-UHFFFAOYSA-N,2,1,0.297,42,171,419.408,3.36,6,0.423,0.69,1.0,0.14149133027208552,0.12162463162223289,0.405198409978754,0.402671167157837,0.2677463847577274
EOS-2-36097,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)nc5)n34)nc2)nc1,NUNMWOZXASJLEX-UHFFFAOYSA-N,2,1,0.31,42,977,419.408,3.36,6,0.423,0.71,1.0,0.2163319854704955,0.10566445068878076,0.2683075183332191,0.25909807415530123,0.21235050716194914
EOS-2-36098,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)o2)nc1,CHABIYHVHROGJE-UHFFFAOYSA-N,2,1,0.329,38,608,419.408,3.36,6,0.423,0.79,1.0,0.12796415598656707,0.1287009115208005,0.14558632033445273,0.1728462751010897,0.1437744157357275
EOS-2-36099,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6nnco6)n5)n34)cn2)cc1,FVWBYJDPMSCNNN-UHFFFAOYSA-N,2,1,0.303,30,945,419.408,3.36,6,0.423,0.73,0.998,0.17441402234253991,0.12163319854704956,0.16445068878075525,0.21807963813309575,0.16964438695086012
EOS-2-36100,c1coc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)nc5)n34)cc2)c1,SRHVEUKERYELNZ-UHFFFAOYSA-N,2,1,0.293,42,725,419.408,3.36,6,0.423,0.75,1.0,0.1744225892673566,0.07284456171612638,0.30511959427044066,0.33895038037146186,0.22283428140634637
EOS-2-36101,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)nc5)n34)cc2)nn1,YNOFPFWELZFGED-UHFFFAOYSA-N,2,1,0.293,42,339,419.408,3.36,6,0.423,0.72,1.0,0.18886642450825852,0.07639983551504352,0.41577856212733877,0.412446028373655,0.273372712631074
EOS-2-36102,c1ncc(-c2cncc3nnc(-c4ccc(-c5ccc(-c6cnco6)nc5)nc4)n23)cn1,NRWRVJGKUVLQDR-UHFFFAOYSA-N,2,1,0.31,94,165,419.408,3.36,6,0.423,0.71,1.0,0.1636196970735385,0.10234905078473032,0.4052069769035707,0.38096257967240077,0.26303457610856007
EOS-2-36103,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)cn2)cn1,IOIYLUOVSKSTBC-UHFFFAOYSA-N,2,1,0.328,86,790,419.408,3.36,6,0.423,0.67,1.0,0.16907682818175587,0.10911692138989788,0.3416832293879789,0.32604859159756017,0.2364813926392982
EOS-2-36104,c1cnc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)cn1,SKDHHCOERVXVNV-UHFFFAOYSA-N,2,1,0.306,42,106,419.408,3.36,6,0.423,0.74,1.0,0.18317798642999109,0.10235761770954697,0.3014101158248235,0.31379788910972517,0.22518590226852167
EOS-2-36105,c1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccon6)nc5)n34)cc2)nc1,IQDXZNWGZLCGIP-UHFFFAOYSA-N,2,1,0.319,42,608,419.408,3.36,6,0.423,0.77,1.0,0.1443526831608526,0.10912548831471455,0.24309505859776576,0.24712151326159962,0.18592368583373314
EOS-2-36106,c1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6conn6)c5)n34)cc2)ccn1,BSVWWEVHHHWUDA-UHFFFAOYSA-N,2,1,0.329,38,725,419.408,3.36,6,0.423,0.62,1.0,0.09180316633541225,0.09611232951819615,0.4194452059488726,0.46296518401754505,0.2675814714550065
EOS-2-36107,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cn2)cn1,VDTGQQVCLJPCDA-UHFFFAOYSA-N,2,1,0.304,42,327,419.408,3.36,6,0.423,0.67,1.0,0.19421218559385922,0.13195634295113426,0.34541840860804607,0.3389589472962785,0.2526364711123295
EOS-2-36108,c1coc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnccn6)n5)n34)cc2)c1,LHHLNAGBICMFQG-UHFFFAOYSA-N,2,1,0.324,38,167,419.408,3.36,6,0.423,0.68,1.0,0.15018675896100336,0.07640840243986019,0.24668460009594956,0.30105887190734015,0.19358465835103833
EOS-2-36109,COc1ccnc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)nn4C)n23)c1,RUPXHSHKROSILH-UHFFFAOYSA-N,2,1,0.368,53,105,419.405,1.866,5,0.402,0.57,0.943,0.2082962099924611,0.08335617846617778,0.029110410527037216,0.01044308135151806,0.08280147008429854
EOS-2-36110,COc1nc(-c2nnc3cncc(OCCc4cnco4)n23)ccc1-c1ncnn1C,BUPVXACRLSXQQD-UHFFFAOYSA-N,2,1,0.429,31,456,419.405,1.6,5,0.383,0.6,0.862,0.2653262284970187,0.02702008087177027,0.02162291823726955,0.008661160989651156,0.08065759714892741
EOS-2-36111,COc1cc(-c2nnc3cncc(OCc4ncnn4C)n23)ccc1-c1noc(C)n1,OUVYUQCYHAKCMQ-UHFFFAOYSA-N,2,1,0.429,36,375,419.405,1.866,5,0.402,0.78,1.0,0.33339044616544444,0.19130799808100885,0.030164142279487355,0.010451648276334727,0.14132855870056885
EOS-2-36112,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5nc(CCO)no5)nc4)n23)n1,LKNJGVXJOKSVCF-UHFFFAOYSA-N,2,1,0.417,92,986,419.405,1.084,5,0.407,0.74,1.0,0.21110616133232815,0.14291343979165239,0.018984305393735863,0.011462545404701529,0.09611661298060449
EOS-2-36113,COc1cc(-c2nnc3cncc(OCCc4cc(C)on4)n23)ccc1-c1ncon1,ZEXYZXQBSOMXJM-UHFFFAOYSA-N,2,1,0.523,15,604,419.401,2.768,5,0.388,0.69,1.0,0.45229079569597697,0.24581934068946612,0.11934582962099925,0.0641919676512919,0.22041198341443355
EOS-2-36114,N#Cc1coc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)n1,UCCFLAICVNXBMA-UHFFFAOYSA-N,2,1,0.512,97,214,419.401,3.493,5,0.425,0.71,1.0,0.7805582208210541,0.7355475978342814,0.5355270372147214,0.4996059214584333,0.6378096943321226
EOS-2-36115,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c(F)c1,OROKAKLWTQJTLG-UHFFFAOYSA-N,2,1,0.41,96,140,419.401,4.024,5,0.319,0.69,1.0,0.17443115619217325,0.17458536083887327,0.4805445137413474,0.33261942293194435,0.2905451134260846
EOS-2-36116,Cc1nc(-c2ccncn2)c(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1C,OBDCSBLGBZSCOL-UHFFFAOYSA-N,2,1,0.353,50,243,419.399,3.29,5,0.441,0.61,0.25,0.22756322390514702,0.2608285929682681,0.3454269755328627,0.31068809540127473,0.28612672195188815
EOS-2-36117,CCn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)cc1,IZLCXJKXCBVGNA-UHFFFAOYSA-N,2,1,0.667,67,520,419.395,4.14,5,0.426,0.67,1.0,0.7635186073607018,0.6881468028236584,0.6983414433554931,0.6966537591666095,0.7116651531766157
EOS-2-36118,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)c1,ZUPBRFDFBJSVBJ-UHFFFAOYSA-N,2,1,0.671,59,294,419.395,3.444,5,0.434,0.69,1.0,0.8571379617572477,0.6782348708107737,0.7989685422520731,0.7503769446919334,0.7711795798780069
EOS-2-36119,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc1,SCPUBNLBKOEFLS-UHFFFAOYSA-N,2,1,0.529,16,55,419.395,3.444,5,0.406,0.67,1.0,0.8482540607223631,0.5669847851415256,0.815091494757042,0.742752381605099,0.7432706805565075
EOS-2-36120,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1F,MAMFSCUVEVZWSA-UHFFFAOYSA-N,2,1,0.541,16,55,419.395,3.444,5,0.406,0.66,1.0,0.8291583853060106,0.5920002056061956,0.8223476800767596,0.7660287163319854,0.7523837468302379
EOS-2-36121,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)c1,QQQWJCRZJPRRBZ-UHFFFAOYSA-N,2,1,0.539,37,619,419.395,3.476,5,0.453,0.61,1.0,0.9261873757795902,0.8310688095401275,0.7679648413405524,0.7632958673154684,0.8221292234939346
EOS-2-36122,Cn1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)n1,ANIOTIYQCIKNCT-UHFFFAOYSA-N,2,1,0.6,43,96,419.395,3.444,5,0.434,0.72,1.0,0.8807312727023507,0.7666626687684189,0.7943167020766225,0.7606915221712014,0.8006005414296484
EOS-2-36123,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cc1F,IPIRDIBMXPFVLX-UHFFFAOYSA-N,2,1,0.578,4,71,419.395,3.444,5,0.434,0.65,1.0,0.6452436433417861,0.5715252552943595,0.7840021245973545,0.7479182372695498,0.6871723151257624
EOS-2-36124,CCn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)cc1,CTWPMUWJSQYTBZ-UHFFFAOYSA-N,2,1,0.538,67,520,419.395,4.14,5,0.426,0.7,1.0,0.6728462751010897,0.6831437187307244,0.6604328010417381,0.6765643204715236,0.6732467788362689
EOS-2-36125,CCn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cc(F)ccc4F)n23)cc1,BQUFUTKIQORGGJ-UHFFFAOYSA-N,2,1,0.53,67,520,419.395,4.14,5,0.426,0.67,1.0,0.6169213898978823,0.7029932835309437,0.6740199438009732,0.6795113426084572,0.6683614899595641
EOS-2-36126,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)nc1,OQBIVHZHGKXVGD-UHFFFAOYSA-N,2,1,0.427,46,332,419.395,3.444,5,0.434,0.69,1.0,0.6543074497978206,0.5073589884175177,0.7679734082653691,0.734836543074498,0.6661190973888014
EOS-2-36127,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cn2)cn1,GIOGXRAATNYSQS-UHFFFAOYSA-N,2,1,0.506,59,109,419.395,3.444,5,0.434,0.77,1.0,0.582293879788911,0.5715338222191763,0.8112877801384415,0.7709204304023027,0.6840089781372078
EOS-2-36128,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cn1,NZOZIUYABUIVEG-UHFFFAOYSA-N,2,1,0.658,59,294,419.395,3.444,5,0.434,0.75,1.0,0.6700191899115894,0.6439500376944692,0.8278133781097937,0.77547803440477,0.7293151600301555
EOS-2-36129,Cn1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1-c1cncc(F)c1,VACDOOZVXLAPEG-UHFFFAOYSA-N,2,1,0.494,95,998,419.395,3.444,5,0.434,0.78,1.0,0.5110684668631348,0.38972654375985194,0.6873757795901583,0.7077650606538277,0.5739839627167431
EOS-2-36130,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)cc1,BAPCBRVSZKIOJR-UHFFFAOYSA-N,2,1,0.524,4,22,419.395,3.444,5,0.434,0.61,1.0,0.7517390857377836,0.5579980810088411,0.7989771091768899,0.7400623672126654,0.712194160784045
EOS-2-36131,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5c[nH]nn5)c4)n23)c1F,CAVHLQRAXQGHLY-UHFFFAOYSA-N,2,1,0.562,91,742,419.395,3.476,5,0.453,0.61,1.0,0.797580700431773,0.7666712356932356,0.8090860804605579,0.7986686998834899,0.7930016791172642
EOS-2-36132,Cn1nc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)cc1-c1ccc(F)cc1,RTWSUDMNFCNAAI-UHFFFAOYSA-N,2,1,0.5,95,965,419.395,3.444,5,0.406,0.74,1.0,0.5084641217188678,0.4536700705914605,0.7008601192515934,0.7022822287711603,0.5913191350832705
EOS-2-36133,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,PTPISLOQQRFPGY-UHFFFAOYSA-N,2,1,0.519,27,374,419.395,4.317,5,0.422,0.78,1.0,0.7277002947022136,0.6295062024535673,0.7989856761017066,0.6910595572613255,0.7118129326297032
EOS-2-36134,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)cc1F,CUPGVOUOYDUOGH-UHFFFAOYSA-N,2,1,0.671,84,360,419.395,3.476,5,0.453,0.63,1.0,0.9396545815913919,0.8857172229456515,0.7701065725447194,0.7452367898019328,0.8351787917209239
EOS-2-36135,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)cc1,KWOMEPJICJPDAR-UHFFFAOYSA-N,2,1,0.54,27,343,419.395,3.889,5,0.415,0.73,1.0,0.5059711465972174,0.4447947364813926,0.8833356178466177,0.8139349599067919,0.662009115208005
EOS-2-36136,Cn1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccc4F)n23)nn1,PUOYPEUGYQRJLB-UHFFFAOYSA-N,2,1,0.505,34,372,419.395,3.444,5,0.434,0.7,1.0,0.43569666232609144,0.6159019258446988,0.6929871153450757,0.737517990542115,0.6205259235144953
EOS-2-36137,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1cccnc1,KPWCZJXHCDWBHS-UHFFFAOYSA-N,2,1,0.6,95,998,419.395,3.444,5,0.434,0.75,1.0,0.5183931875813858,0.42698409978754026,0.7319323555616476,0.7214121718867795,0.5996804537043383
EOS-2-36138,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)cn1,CWDLFYAEBVFFSI-UHFFFAOYSA-N,2,1,0.477,13,251,419.395,4.14,5,0.426,0.73,1.0,0.41511890891645536,0.5210489342745528,0.7135563018298952,0.6795199095332739,0.5823110136385443
EOS-2-36139,Cn1nc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1-c1cccnc1,GHXMOCSMLKSXDR-UHFFFAOYSA-N,2,1,0.461,95,998,419.395,3.444,5,0.434,0.75,1.0,0.4382324720718251,0.3706908368172161,0.7082962099924611,0.7159978754026455,0.558304348571037
EOS-2-36140,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)cc1,GCCCDWUSLILURN-UHFFFAOYSA-N,2,1,0.575,89,51,419.395,3.889,5,0.415,0.78,1.0,0.54969673086149,0.37069940374203275,0.8428140634637791,0.7731135631553697,0.6340809403056679
EOS-2-36141,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1,WRPIJYFAHLIHBB-UHFFFAOYSA-N,2,1,0.59,43,520,419.395,3.444,5,0.434,0.78,1.0,0.8807398396271674,0.7169316702076622,0.7631844972928518,0.740070934137482,0.7752317353162907
EOS-2-36142,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4)n23)ccc1F,ZTBMJQHQCWNSDT-UHFFFAOYSA-N,2,1,0.699,43,372,419.395,3.444,5,0.434,0.72,1.0,0.9414536358028922,0.8608474402028647,0.7393598793776985,0.7452453567267494,0.8217265780275511
EOS-2-36143,Cn1cc(-c2ccc(COc3cncc4nnc(-c5cc(F)ccc5F)n34)nc2)cn1,LNRMWZITWLMZEG-UHFFFAOYSA-N,2,1,0.561,4,10,419.395,3.444,5,0.434,0.8,1.0,0.5159430470838188,0.5769052840792269,0.7922777739702557,0.7452539236515661,0.6575950071962169
EOS-2-36144,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nc2)cn1,FEADCCSNRCFBMI-UHFFFAOYSA-N,2,1,0.588,4,391,419.395,3.444,5,0.434,0.69,1.0,0.5740439311904598,0.6247429922555,0.8257915838530601,0.7684188883558358,0.6982493489137138
EOS-2-36145,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cccnc5)n34)cc2)cn1,LYQRYMJXCRDDQS-UHFFFAOYSA-N,2,1,0.562,16,519,419.395,4.024,5,0.413,0.75,1.0,0.5628726612295251,0.4887773284901652,0.8571208279076142,0.7754866013295867,0.6710643547392228
EOS-2-36146,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cc2)cn1,KKPCSNIAPNSFOP-UHFFFAOYSA-N,2,1,0.531,16,519,419.395,3.444,5,0.434,0.69,1.0,0.7185079843739292,0.5530292646151738,0.8428226303885957,0.7871290521554383,0.7253722328832843
EOS-2-36147,Cn1cnc(-c2ccc(F)nc2)c1COc1cncc2nnc(-c3ccccc3F)n12,HVKGFLPBRUTEOK-UHFFFAOYSA-N,2,1,0.506,4,10,419.395,3.444,5,0.406,0.69,1.0,0.5853437050236447,0.6541703790007539,0.6044222465903639,0.6128092659858817,0.614186399150161
EOS-2-36148,Cn1cnc(-c2ccc(F)nc2)c1COc1cncc2nnc(-c3ccc(F)cc3)n12,BZRPPKLOJLSSSI-UHFFFAOYSA-N,2,1,0.554,4,32,419.395,3.444,5,0.406,0.71,1.0,0.8161023918854088,0.7491861421424165,0.6431533136865191,0.644755328627236,0.7132992940853952
EOS-2-36149,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1,WMABZVZMABANDJ-UHFFFAOYSA-N,2,1,0.779,43,520,419.395,3.444,5,0.434,0.74,1.0,0.9197364813926393,0.7790932766774039,0.7796158590912207,0.75038551161675,0.8072077821945034
EOS-2-36150,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)c(F)c1,HBVWTJSCLQDEAE-UHFFFAOYSA-N,2,1,0.653,43,520,419.395,3.444,5,0.434,0.73,1.0,0.9312589952710575,0.8120074018230417,0.7562195874169009,0.7582156808991845,0.8144254163525461
EOS-2-36151,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)n[nH]1,YLSQTXBKNILFFB-UHFFFAOYSA-N,2,1,0.736,43,96,419.395,3.742,5,0.466,0.79,1.0,0.9435011308340758,0.8081865533548077,0.7725738468919197,0.7291909396203139,0.8133631176752794
EOS-2-36152,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)n1,BATLSQSOOLMUPB-UHFFFAOYSA-N,2,1,0.582,43,178,419.395,3.444,5,0.434,0.69,1.0,0.8242067027619766,0.6541789459255706,0.7562281543417175,0.7107206497155781,0.7363336131862107
EOS-2-36153,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)n1,BOBQYLLIRNUHIW-UHFFFAOYSA-N,2,1,0.768,43,96,419.395,3.444,5,0.434,0.71,1.0,0.8482626276471797,0.7214635734356796,0.770115139469536,0.7239137139332465,0.7659387636214106
EOS-2-36154,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1F,YPZHFHNLVKHISC-UHFFFAOYSA-N,2,1,0.619,91,273,419.395,3.476,5,0.453,0.66,1.0,0.9504660407100267,0.8448872592694127,0.7817832910698376,0.755414296484134,0.8331377218833528
EOS-2-36155,Cn1nc(-c2ccc(F)nc2)cc1COc1cncc2nnc(-c3ccccc3F)n12,GQOGUISHIRJTBJ-UHFFFAOYSA-N,2,1,0.523,4,10,419.395,3.444,5,0.406,0.72,1.0,0.5367178397642383,0.6344493180727846,0.6490559248852033,0.6418425741895689,0.6155164142279488
EOS-2-36156,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)cc1,TWEJIESLMWRDLY-UHFFFAOYSA-N,2,1,0.57,43,178,419.395,3.444,5,0.434,0.62,1.0,0.7120999246110616,0.6108217394284148,0.7796244260160373,0.7660372832568021,0.7171458433280788
EOS-2-36157,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)nn1,SXLPGCATAJXNQZ-UHFFFAOYSA-N,2,1,0.561,43,178,419.395,3.444,5,0.434,0.72,1.0,0.7121084915358783,0.6295147693783839,0.7989942430265232,0.7660458501816189,0.7266658385306011
EOS-2-36158,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)nn1,WQRFQDBQWWLSBU-UHFFFAOYSA-N,2,1,0.736,43,96,419.395,3.444,5,0.434,0.72,1.0,0.77480981426907,0.7077393598793777,0.8112963470632581,0.778082379549037,0.7679819751901857
EOS-2-36159,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)ccc2F)cn1,DEKKBCUCOBYYAA-UHFFFAOYSA-N,2,1,0.566,4,394,419.395,3.444,5,0.434,0.7,1.0,0.5110770337879514,0.5769138510040436,0.8049139880748406,0.7709289973271195,0.6659584675484888
EOS-2-36160,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)n1,JGWGERDZJUDAOI-UHFFFAOYSA-N,2,1,0.746,43,96,419.395,3.444,5,0.434,0.73,1.0,0.9301538619697074,0.7956274415735728,0.8113049139880748,0.7660544171064355,0.8257851586594477
EOS-2-36161,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nc2)n1,MNVYAYDGFUSFPY-UHFFFAOYSA-N,2,1,0.58,4,391,419.395,3.444,5,0.434,0.7,1.0,0.5853522719484614,0.6587194160784045,0.7725824138167363,0.7160064423274621,0.683165136042766
EOS-2-36162,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2F)c1,QFUNGYXTRLNFCC-UHFFFAOYSA-N,2,1,0.535,4,554,419.395,3.444,5,0.406,0.69,1.0,0.7277088616270304,0.6204423959975327,0.734579535329998,0.6881125351243917,0.6927108320197383
EOS-2-36163,Cn1nc(-c2ccc(F)cn2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,RRMBXAOWZGMMSY-UHFFFAOYSA-N,2,1,0.549,34,32,419.395,3.444,5,0.434,0.68,1.0,0.7063001165101775,0.77483551504352,0.6193372626961826,0.6330443424028511,0.6833793091631828
EOS-2-36164,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2)n1,FZVPVLZYWKXQNP-UHFFFAOYSA-N,2,1,0.524,4,22,419.395,3.444,5,0.434,0.66,1.0,0.6139143992872319,0.5530378315399904,0.7656946062641354,0.702290795695977,0.6587344081968337
EOS-2-36165,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cc2F)n1,WCVCXAUPFAAZJR-UHFFFAOYSA-N,2,1,0.573,4,712,419.395,3.444,5,0.434,0.72,1.0,0.5572613254746076,0.5967205811801796,0.744637105064766,0.7022993626207936,0.6502295935850867
EOS-2-36166,Cn1nc(-c2cccc(F)n2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,JPJDUGZIOYAADQ-UHFFFAOYSA-N,2,1,0.548,34,268,419.395,3.444,5,0.406,0.68,1.0,0.7337485436227812,0.7578730039065177,0.5978514152559797,0.6063755054485642,0.6739621170584608
EOS-2-36167,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)c2)nn1,IQAMRUVXBLQUBO-UHFFFAOYSA-N,2,1,0.523,43,521,419.395,3.444,5,0.434,0.73,1.0,0.5392108148858885,0.5438026865876225,0.779632992940854,0.7633044342402852,0.6564877321636625
EOS-2-36168,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)nn1,IZLIOUNOFASCPL-UHFFFAOYSA-N,2,1,0.675,43,11,419.395,3.444,5,0.434,0.73,1.0,0.6307741073264341,0.6059642930573641,0.7990028099513399,0.7709375642519362,0.7016696936467686
EOS-2-36169,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)c1F,ALKUVTGZGQGART-UHFFFAOYSA-N,2,1,0.527,84,73,419.395,3.476,5,0.453,0.64,1.0,0.8031663354122405,0.80008224247824,0.8068072784593242,0.7825800150777876,0.7981589678568981
EOS-2-36170,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)cc1F,ZASRGIMSUSXYMA-UHFFFAOYSA-N,2,1,0.727,91,781,419.395,3.476,5,0.453,0.7,1.0,0.9182629703241725,0.8575748749228976,0.8331762730450277,0.8161452265094922,0.8562898362003976
EOS-2-36171,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)cc1,UTDIXZHSVAMDIT-UHFFFAOYSA-N,2,1,0.571,43,178,419.395,3.444,5,0.434,0.71,1.0,0.7805667877458707,0.5822510451648276,0.726715098348297,0.7077736275786444,0.69932663970941
EOS-2-36172,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1,XWFOMSQEACVFEI-UHFFFAOYSA-N,2,1,0.597,43,520,419.395,3.444,5,0.434,0.72,1.0,0.8571465286820643,0.7030018504557604,0.7562367212665342,0.7452624905763827,0.7654118977451854
EOS-2-36173,Cn1cc(-c2cncc(COc3cncc4nnc(-c5cc(F)cc(F)c5)n34)c2)cn1,FBRZPPAZTJTHPI-UHFFFAOYSA-N,2,1,0.549,16,772,419.395,3.444,5,0.434,0.78,1.0,0.49575937221574945,0.43165307381262424,0.8298094715920773,0.7871376190802549,0.6360898841751765
EOS-2-36174,CCn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nc2)cn1,HYPJIEORPOCVKI-UHFFFAOYSA-N,2,1,0.46,13,412,419.395,4.14,5,0.426,0.71,1.0,0.5497052977863066,0.5822596120896443,0.7631930642176684,0.7023079295456103,0.6493664759098075
EOS-2-36175,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)[nH]4)n23)nc1,LWMLZCZJRXFHRB-UHFFFAOYSA-N,2,1,0.448,11,141,419.395,3.476,5,0.424,0.6,1.0,0.5823024467137277,0.4269926667123569,0.7034387636214104,0.6966623260914262,0.6023490507847303
EOS-2-36176,Cn1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c(-c2ccc(F)cc2)n1,RKDRDFNZKGLEEM-UHFFFAOYSA-N,2,1,0.568,16,772,419.395,3.444,5,0.406,0.79,1.0,0.5034696045507505,0.4448033034062093,0.6901086286066753,0.6881211020492084,0.5816256596532109
EOS-2-36177,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ncc2F)cn1,KQMDQSWKHPZKMW-UHFFFAOYSA-N,2,1,0.556,4,394,419.395,3.444,5,0.434,0.67,1.0,0.6820471523541909,0.6782434377355905,0.7965612363785896,0.760700089096018,0.7293879788910973
EOS-2-36178,Cn1nc(-c2nnc3cncc(OCc4ncccc4F)n23)cc1-c1ccc(F)cc1,CUOZAEAQBIJMEO-UHFFFAOYSA-N,2,1,0.477,95,965,419.395,3.444,5,0.434,0.76,0.877,0.4018316085258036,0.4041189774518539,0.6012182167089302,0.6362826399835515,0.5108628606675347
EOS-2-36179,Cn1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)cc1-c1ccc(F)cc1,FIUNJPZUYJKGSW-UHFFFAOYSA-N,2,1,0.467,95,965,419.395,3.444,5,0.406,0.74,1.0,0.4128401069152217,0.4182030018504558,0.613134809128915,0.6299945171681174,0.5185431087656776
EOS-2-36180,Cn1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)cc1-c1ccc(F)cc1,GCSCSOZXJNKXRL-UHFFFAOYSA-N,2,1,0.5,95,965,419.395,3.444,5,0.434,0.76,1.0,0.40184017545062023,0.43624494551435816,0.640189157699952,0.6588564868754712,0.5342826913851004
EOS-2-36181,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)c(F)c1,ISUXKBTWUJJVJP-UHFFFAOYSA-N,2,1,0.61,91,273,419.395,3.476,5,0.453,0.64,1.0,0.8706994037420328,0.8448958261942293,0.8169076828181756,0.8071585223768076,0.8349153587828113
EOS-2-36182,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)ccn1,ZGEHLDCKHQZOEQ-UHFFFAOYSA-N,2,1,0.463,96,121,419.395,3.949,5,0.429,0.73,1.0,0.09415050373517922,0.3365773421972449,0.864608320197382,0.8071670893016243,0.5256258138578576
EOS-2-36183,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)n1,MWQQOJZVZCMPMJ-UHFFFAOYSA-N,2,1,0.493,96,121,419.395,3.855,5,0.43,0.81,1.0,0.3207627989856761,0.4316616407374409,0.8347782879857446,0.7780909464738538,0.5913234185456788
EOS-2-36184,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)cn2)c1,PMBMLXDHSDVTMG-UHFFFAOYSA-N,2,1,0.512,55,109,419.395,3.444,5,0.434,0.74,1.0,0.8004334863957234,0.7169402371324789,0.7747241450209033,0.7320951271331643,0.7560482489205674
EOS-2-36185,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(OC(F)F)c5)n34)cc2)nn1,VZFFJETYPDCHPO-UHFFFAOYSA-N,2,1,0.489,61,697,419.395,3.855,5,0.43,0.78,1.0,0.24372044410938248,0.3944469193338359,0.8444589130285792,0.8139435268316085,0.5741424508258516
EOS-2-36186,CCc1nc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)no1,MJHQJNZAZRBPOP-UHFFFAOYSA-N,2,1,0.337,74,121,419.395,4.403,5,0.417,0.8,1.0,0.2731563977794531,0.3707079706668494,0.48394558289356454,0.5097063258172846,0.4093790692892879
EOS-2-36187,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cc2F)cn1,NINMJVIIUKPADZ-UHFFFAOYSA-N,2,1,0.588,4,394,419.395,3.444,5,0.434,0.74,1.0,0.5240473579603866,0.5715423891439929,0.7965698033034062,0.7529812898362004,0.6612852100609966
EOS-2-36188,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,YUBVTJVCVHTVAN-UHFFFAOYSA-N,2,1,0.645,2,884,419.395,3.444,5,0.434,0.75,1.0,0.5823110136385443,0.5027756836406003,0.8646168871221986,0.8179185799465424,0.6919055410869714
EOS-2-36189,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2)cn1,LBFJNZIMCUYBAK-UHFFFAOYSA-N,2,1,0.537,16,519,419.395,3.444,5,0.434,0.69,1.0,0.5444280720992393,0.5438112535124392,0.8151000616818587,0.7554228634089507,0.664690562675622
EOS-2-36190,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)c(F)c4)n23)cn1,FDJDWJSXSMGCRU-UHFFFAOYSA-N,2,1,0.575,35,669,419.395,3.476,5,0.424,0.66,1.0,0.9034935919402372,0.8485025015420464,0.8203601535192927,0.7986772668083065,0.8427583784524707
EOS-2-36191,COc1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccc(F)cc4F)n23)cn1,BOSUNGCRVYUXIE-UHFFFAOYSA-N,2,1,0.358,22,844,419.395,3.541,5,0.443,0.73,1.0,0.2785535604139538,0.48007333287643067,0.7083047769172778,0.662034815982455,0.5322416215475293
EOS-2-36192,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)n1,YNVIIIUMKTXQQQ-UHFFFAOYSA-N,2,1,0.495,11,639,419.395,3.476,5,0.424,0.61,1.0,0.8970084298540196,0.827522102666027,0.6929956822698924,0.6910681241861422,0.7771485847440204
EOS-2-36193,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)c1,LSDUZOXDQNQQRC-UHFFFAOYSA-N,2,1,0.522,37,490,419.395,3.476,5,0.453,0.59,1.0,0.8987560825166199,0.8485110684668631,0.7217034473305463,0.7266122952504969,0.7988957233911315
EOS-2-36194,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)cn2)n1,RWCPOGYXCISOIS-UHFFFAOYSA-N,2,1,0.488,59,332,419.395,3.444,5,0.434,0.64,1.0,0.6667894592557055,0.5873140977314784,0.7319409224864643,0.6966708930162429,0.6706788431224727
EOS-2-36195,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)c1,GMPJZLSAAWWESR-UHFFFAOYSA-N,2,1,0.453,46,16,419.395,3.444,5,0.434,0.69,1.0,0.5084726886436844,0.3658762250702488,0.7817918579946542,0.7479268041943664,0.6010168939757384
EOS-2-36196,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)n1,SDPSKJVUQHHTPR-UHFFFAOYSA-N,2,1,0.658,59,294,419.395,3.444,5,0.434,0.69,1.0,0.7545062024535673,0.6733774244397231,0.7747327119457199,0.7239222808580632,0.7316346549242683
EOS-2-36197,Cn1nc(-c2cccnc2)cc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,KLMDLALRIHLMLR-UHFFFAOYSA-N,2,1,0.487,96,121,419.395,3.855,5,0.43,0.79,1.0,0.24372901103419917,0.3993557672537866,0.8132410389966418,0.7754951682544033,0.5579552463847577
EOS-2-36198,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccncc4F)n23)c(F)c1,GHAQUNJXWIWWEU-UHFFFAOYSA-N,2,1,0.471,16,772,419.395,3.444,5,0.434,0.76,1.0,0.8031749023370571,0.6108303063532314,0.8278219450346104,0.7825885820026044,0.7561039339318758
EOS-2-36199,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cn2)n1,YDVGFJLDBLTBTH-UHFFFAOYSA-N,2,1,0.506,59,910,419.395,3.444,5,0.434,0.68,1.0,0.6850198752655746,0.5967291481049962,0.7609399629908848,0.7134620656569118,0.6890377630045919
EOS-2-36200,Cn1cnc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)n1,MMGZVPFQVSHBQB-UHFFFAOYSA-N,2,1,0.5,43,80,419.395,3.444,5,0.434,0.67,1.0,0.5034781714755672,0.5255380028784867,0.6711414570625728,0.6910766911109588,0.5978085806318963
EOS-2-36201,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cn1,LNBYCGDGVMEONR-UHFFFAOYSA-N,2,1,0.494,59,109,419.395,3.444,5,0.434,0.75,1.0,0.7396682886710986,0.6059728599821808,0.7880285792611884,0.7503940785415667,0.7210159516140086
EOS-2-36202,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(F)c(F)c3)n12,XTOMADHASUUURT-UHFFFAOYSA-N,2,1,0.385,61,252,419.395,3.541,5,0.443,0.76,1.0,0.4267613597423069,0.4800818998012473,0.7632016311424851,0.7186878897950791,0.5971831951202796
EOS-2-36203,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)ccc2F)cn1,VXZFTJRCCSWMQF-UHFFFAOYSA-N,2,1,0.542,16,394,419.395,3.444,5,0.406,0.69,1.0,0.712117058460695,0.6489702556370365,0.8460780618189295,0.7964755671304229,0.750910235761771
EOS-2-36204,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,ODLORKLWQAAKFG-UHFFFAOYSA-N,2,1,0.487,61,121,419.395,3.855,5,0.43,0.78,1.0,0.3776129120690837,0.3944554862586526,0.8151086286066753,0.7918751285038722,0.5947630388595709
EOS-2-36205,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ccc2F)cn1,SGSOJGGTTPHGDM-UHFFFAOYSA-N,2,1,0.568,16,394,419.395,3.444,5,0.406,0.73,1.0,0.6939294770749092,0.6108388732780481,0.8412977177712289,0.7871461860050716,0.7333030635323144
EOS-2-36206,Cn1ncnc1COc1cncc2nnc(-c3ccc(F)c(-c4ccc(F)cc4)c3)n12,XZGVDORVNIOODU-UHFFFAOYSA-N,2,1,0.55,34,372,419.395,3.444,5,0.434,0.74,1.0,0.7000890960180933,0.7169488040572956,0.6490644918100199,0.7023164964704269,0.6921047220889589
EOS-2-36207,CC(F)(F)Oc1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,UAZJYKVPKRTEAJ-UHFFFAOYSA-N,2,1,0.383,61,537,419.395,4.235,5,0.458,0.74,1.0,0.4737680762113632,0.5027842505654171,0.9295113426084572,0.8659875950928655,0.6930128161195257
EOS-2-36208,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cn2)c1,ZGPXFVYZMSHHMB-UHFFFAOYSA-N,2,1,0.506,59,910,419.395,3.444,5,0.434,0.73,1.0,0.8268967171544103,0.7077479268041944,0.7796415598656706,0.7291995065451305,0.7608714275923515
EOS-2-36209,Cn1ncc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)c1-c1ccc(F)nc1,MBVDRRRXPBERQH-UHFFFAOYSA-N,2,1,0.598,16,772,419.395,3.444,5,0.406,0.76,1.0,0.5184017545062024,0.48009046672606404,0.7135648687547118,0.7186964567198958,0.6076883866767185
EOS-2-36210,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cn1,LRKBHBOIMARHBD-UHFFFAOYSA-N,2,1,0.493,96,121,419.395,3.855,5,0.43,0.83,1.0,0.3029778630662737,0.4270012336371736,0.8743660475635666,0.819966074977726,0.606077804811185
EOS-2-36211,Cn1nccc1-c1cncc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,OCJROWZBRXGXAF-UHFFFAOYSA-N,2,1,0.5,96,121,419.395,3.855,5,0.43,0.69,1.0,0.32585155232677676,0.3847919950654513,0.8768076211363169,0.8299636762387773,0.6043537111918306
EOS-2-36212,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)c1,QNLQHPIEZZXQFO-UHFFFAOYSA-N,2,1,0.658,59,294,419.395,3.444,5,0.434,0.71,1.0,0.880748406551984,0.7791018436022206,0.7922863408950723,0.7427609485299157,0.7987243848947981
EOS-2-36213,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)nn1,KHKGNQUNCJPFNZ-UHFFFAOYSA-N,2,1,0.523,61,121,419.395,3.855,5,0.43,0.78,1.0,0.22757179082996368,0.37565108628606675,0.8444674799533959,0.8161537934343088,0.5659610376259337
EOS-2-36214,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cn1,ASJCDZYICDNYMH-UHFFFAOYSA-N,2,1,0.438,46,160,419.395,3.444,5,0.434,0.77,1.0,0.47377664313617984,0.36588479199506546,0.8132496059214585,0.7755037351792201,0.6071036940579809
EOS-2-36215,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,GSIUXVNQBXRJIG-UHFFFAOYSA-N,2,1,0.575,46,294,419.395,3.444,5,0.434,0.74,1.0,0.5497138647111233,0.39936433417860323,0.829818038516894,0.782597148927421,0.6403733465835104
EOS-2-36216,Cn1ncnc1COc1cncc2nnc(-c3cccc(-c4ccc(F)c(F)c4)c3)n12,VIUQQBCFNKHEIS-UHFFFAOYSA-N,2,1,0.5,43,80,419.395,3.444,5,0.434,0.67,1.0,0.5341905969433213,0.5530463984648071,0.6545815913919539,0.688129668974025,0.6074870639435268
EOS-2-36217,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2)cn1,MVMYPZXJJQQPDH-UHFFFAOYSA-N,2,1,0.697,4,519,419.395,4.024,5,0.413,0.73,1.0,0.4449318072784593,0.49354910561304915,0.815117195531492,0.7239308477828799,0.61938223905147
EOS-2-36218,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)no1,VNGCAEJJLJDBBI-UHFFFAOYSA-N,2,1,0.57,57,80,419.391,4.612,5,0.414,0.73,1.0,0.8482711945719964,0.7956360084983894,0.8715989308477828,0.8542851757932972,0.8424478274278665
EOS-2-36219,Cc1onc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(F)cc3)n12,RJGWVUCFPXUWBA-UHFFFAOYSA-N,2,1,0.658,57,798,419.391,4.612,5,0.414,0.78,1.0,0.9573367144129943,0.9054468507984373,0.772590980741553,0.7964841340552395,0.857964670002056
EOS-2-36220,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cc4)n23)cc1,QUTPZUROXGQFQI-UHFFFAOYSA-N,2,1,0.592,1,138,419.391,4.963,5,0.387,0.81,1.0,0.9289030909464738,0.6489788225618532,0.9490781988897266,0.9201476937838393,0.8617769515454732
EOS-2-36221,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5c(F)cccc5F)no4)n23)cc1,HBHYFMHUMIIQMG-UHFFFAOYSA-N,2,1,0.568,57,671,419.391,4.612,5,0.414,0.77,1.0,0.951956685628127,0.8694571996436159,0.8511839490096635,0.8358834212870948,0.8771203138921253
EOS-2-36222,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,ANWYZOHSPCSCFP-UHFFFAOYSA-N,2,1,0.575,57,709,419.391,4.612,5,0.414,0.76,1.0,0.930162428894524,0.8608560071276814,0.7540178877390172,0.7633130011651018,0.8270873312315812
EOS-2-36223,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccoc5)n34)ccc2F)cn1,AQBXNKZBCWJEGM-UHFFFAOYSA-N,2,1,0.573,35,919,419.391,4.346,5,0.381,0.71,1.0,0.9470478377081762,0.8346840518127613,0.8890154890000685,0.8738348982249332,0.8861455691864848
EOS-2-36224,Cn1nnnc1CCOc1cncc2nnc(-c3ccc(-c4ccc(F)cn4)nn3)n12,VUYQUGLLWSBETA-UHFFFAOYSA-N,2,1,0.398,53,44,419.384,0.927,5,0.391,0.67,0.894,0.40617503940785415,0.31768727297649235,0.01055445137413474,0.019446919333835928,0.18846592077307928
EOS-2-36225,Cn1nnnc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cnccn4)n3)n12,JOEDTVIEWQVOON-UHFFFAOYSA-N,2,1,0.404,31,105,419.384,0.927,5,0.391,0.6,0.982,0.37058803371941607,0.25584264272496743,0.009989034336234666,0.016568432595435542,0.1632470358440134
EOS-2-36226,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5noc(C)n5)c(F)n4)n23)nn1,ZNXUZNSLILJRLB-UHFFFAOYSA-N,2,1,0.402,53,587,419.38,2.361,5,0.391,0.61,1.0,0.4522993626207936,0.46254540470152833,0.06208450414639161,0.04862586525940649,0.25638878418203004
EOS-2-36227,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cn(C)nn5)c(F)n4)n23)cn1,JAHMMMLNNIUUDP-UHFFFAOYSA-N,2,1,0.354,31,237,419.38,2.317,5,0.395,0.57,1.0,0.35443938043999723,0.38480056199026796,0.2178997327119457,0.14170550339250224,0.27471129463367827
EOS-2-36228,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(C)o5)nn4)n23)c(F)n1,GEXDCGDAPVZDAF-UHFFFAOYSA-N,2,1,0.46,53,226,419.38,2.361,5,0.391,0.63,1.0,0.5497224316359399,0.5073675553423344,0.0702059488725927,0.058126584881091084,0.2963556301829895
EOS-2-36229,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)o1,MMSKTYDUGMFIMH-UHFFFAOYSA-N,2,1,0.479,87,307,419.38,1.804,5,0.424,0.59,0.997,0.5110856007127681,0.38973511068466865,0.20780789527791105,0.18124186142142418,0.32246761702419297
EOS-2-36230,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cncnc4O)n23)nc1F,WZHNVWPMHXFAIF-UHFFFAOYSA-N,2,1,0.396,46,62,419.38,1.8,5,0.424,0.57,0.957,0.4787368926050305,0.3756596532108834,0.2288139949283805,0.15948187238708794,0.3106731032828456
EOS-2-36231,N=c1[nH]nc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)o1,BKAPWQMBKVRQPD-UHFFFAOYSA-N,2,1,0.426,18,578,419.38,1.804,5,0.397,0.45,1.0,0.4428329106983757,0.2662086217531355,0.22499314646014668,0.1754334863957234,0.2773670413268453
EOS-2-36232,Cc1cncc(COc2cncc3nnc(-c4ccc(-c5nnc(C)o5)c(F)n4)n23)n1,AUDBBFFEONNURQ-UHFFFAOYSA-N,2,1,0.372,7,237,419.38,2.361,5,0.391,0.52,1.0,0.4662463162223288,0.3944640531834693,0.07239908162565965,0.055213830443424025,0.24708082036872042
EOS-2-36233,OCc1ccc(-c2nnc3cncc(OCc4noc(-c5cncc(F)c5)n4)n23)cc1,UFDKUQYFYDCVFH-UHFFFAOYSA-N,2,1,0.511,16,335,419.376,2.447,5,0.442,0.73,1.0,0.6969193338359263,0.5715509560688096,0.38712219861558494,0.3712733877047495,0.5067164690562677
EOS-2-36234,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)cc5)n34)no2)cn1,HUPWBDAVWIXALI-UHFFFAOYSA-N,2,1,0.549,97,335,419.376,2.963,5,0.41,0.75,1.0,0.6572630388595709,0.6881553697484751,0.3014186827496402,0.24713008018641627,0.4734917928860256
EOS-2-36235,COc1nc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ncco1,XYFCXYWHSDMOTG-UHFFFAOYSA-N,2,1,0.489,49,501,419.376,2.963,5,0.41,0.64,0.993,0.585360838873278,0.4536786375162772,0.2760263175930368,0.19466623260914262,0.37743300664793367
EOS-2-36236,COc1nc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1ncco1,HQMQIPWZEGJTGC-UHFFFAOYSA-N,2,1,0.489,49,501,419.376,2.963,5,0.41,0.58,0.998,0.5341991638681379,0.4362535124391748,0.2795387567678706,0.20345589747104378,0.3633618326365568
EOS-2-36237,OCc1ccc(-c2nnc3cncc(OCc4noc(-c5ccccn5)n4)n23)cc1F,XNYDCKVXURTKHK-UHFFFAOYSA-N,2,1,0.462,24,335,419.376,2.447,5,0.442,0.73,1.0,0.6483106024261531,0.5769224179288602,0.3270680556507436,0.3198290041806593,0.4680325200466041
EOS-2-36238,COc1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1-c1nnco1,NXMOQRYIVMKBIH-UHFFFAOYSA-N,2,1,0.477,16,591,419.376,2.963,5,0.41,0.77,1.0,0.8970169967788363,0.6108474402028647,0.5690836817216092,0.4314389006922075,0.6270967548488794
EOS-2-36239,COc1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1cocn1,BPHADVAZFCJDTP-UHFFFAOYSA-N,2,1,0.44,49,501,419.376,2.963,5,0.383,0.59,1.0,0.7063086834349942,0.4800990336508807,0.3871307655404016,0.2739788225618532,0.4618793262970324
EOS-2-36240,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1ncon1,DJWQWYLXTAJKJX-UHFFFAOYSA-N,2,1,0.522,4,248,419.376,2.963,5,0.383,0.73,1.0,0.7063172503598109,0.5625214173120416,0.43826673977109176,0.319837571105476,0.5067357446371051
EOS-2-36241,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1cocn1,DVPAJXRRTILDBP-UHFFFAOYSA-N,2,1,0.413,49,501,419.376,2.963,5,0.41,0.64,0.999,0.7029675827564937,0.47109519566856284,0.3797032417243506,0.28314543211568777,0.4592278630662737
EOS-2-36242,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ncco1,LRLDUHWCAOWXGX-UHFFFAOYSA-N,2,1,0.413,49,501,419.376,2.963,5,0.41,0.65,0.999,0.7029761496813104,0.44911246658899323,0.3198547049551093,0.23269481187033103,0.42615953327393596
EOS-2-36243,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2)o1,XJYHPMRIENMBOV-UHFFFAOYSA-N,2,1,0.566,72,22,419.376,2.963,5,0.41,0.74,1.0,0.622318552532383,0.6012267836337468,0.3495219655952299,0.2654033308203687,0.4596176581454321
EOS-2-36244,COc1nc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)ccc1-c1ncon1,AOQSSSWLLBIMDT-UHFFFAOYSA-N,2,1,0.548,49,896,419.376,2.963,5,0.41,0.63,1.0,0.7748183811938867,0.507376122267151,0.34169179631279556,0.2889709409910219,0.47821431019121385
EOS-2-36245,COc1nc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1cocn1,IVEGBLCPXSHYFJ-UHFFFAOYSA-N,2,1,0.489,49,501,419.376,2.963,5,0.41,0.59,0.998,0.5342077307929546,0.462553971626345,0.33467548488794463,0.25643376053731753,0.3969677369611404
EOS-2-36246,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5ncc(F)cn5)o4)n23)cc1,KSSJZNJXGGIRAY-UHFFFAOYSA-N,2,1,0.529,16,82,419.376,2.447,5,0.442,0.73,1.0,0.8365687752724282,0.6685713796175725,0.3606161332328148,0.3138064560345418,0.5448906860393393
EOS-2-36247,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ncon1,AMDIDTOCSPRPSH-UHFFFAOYSA-N,2,1,0.506,16,375,419.376,2.963,5,0.41,0.72,1.0,0.8594510314577479,0.6012353505585635,0.515420464670002,0.3965286820642862,0.5931588821876499
EOS-2-36248,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1nnco1,NOZSOUWXBABQCK-UHFFFAOYSA-N,2,1,0.489,16,591,419.376,2.963,5,0.41,0.74,1.0,0.8728668357206497,0.5920087725310123,0.5390566102391885,0.41245459529847167,0.6040967034473306
EOS-2-36249,Fc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(C(F)F)nc5)n34)cc2)ccn1,QWKBEAYFCDHENO-UHFFFAOYSA-N,2,1,0.333,96,478,419.37,4.387,5,0.402,0.79,1.0,0.35444794736481394,0.529941402234254,0.8743746144883833,0.8594681653073812,0.6545580323487081
EOS-2-36250,Cc1ncc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)nn1,YZDRPFCQPCSTFY-UHFFFAOYSA-N,2,1,0.382,45,102,419.37,4.036,5,0.439,0.81,1.0,0.43824103899664174,0.6439586046192859,0.8890240559248852,0.9033393872935371,0.7186407717085874
EOS-2-36251,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cn1,YFUMNWHNZIFLNB-UHFFFAOYSA-N,2,1,0.5,96,478,419.37,4.329,5,0.433,0.82,1.0,0.34289973271194574,0.5116081831265848,0.9703755739839627,0.934934206017408,0.6899544239599753
EOS-2-36252,Cc1ncc(-c2cncc3nnc(-c4ccc(F)cn4)n23)c(-c2ccc(F)cc2F)n1,NJZCUQHLNFTCFO-UHFFFAOYSA-N,2,1,0.296,45,575,419.37,4.036,5,0.439,0.71,1.0,0.36359742306901516,0.47549859502433006,0.7943252690014393,0.8358919882119115,0.617328318826674
EOS-2-36253,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnccn5)c4)n23)cn1,HOINGPQYTUZTCV-UHFFFAOYSA-N,2,1,0.5,96,478,419.37,4.329,5,0.433,0.81,1.0,0.3591254883147145,0.4935576725378658,0.9577650606538277,0.9114436981701048,0.6804729799191283
EOS-2-36254,Cc1ccc(-c2nnc3cncc(-c4cnnc(-c5cc(F)c(F)c(F)c5)n4)n23)cc1,ALEAZDAURGNXHE-UHFFFAOYSA-N,2,1,0.368,45,316,419.37,4.036,5,0.411,0.74,1.0,0.4061836063326708,0.5967377150298129,0.8756510862860668,0.8864539784798848,0.6912565965321089
EOS-2-36255,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,YHQLGZJBOPSOTK-UHFFFAOYSA-N,2,1,0.416,96,680,419.37,4.387,5,0.402,0.73,0.98,0.35913405523953124,0.5580066479336577,0.9101586594476047,0.885031868960318,0.6780828078952779
EOS-2-36256,Fc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(F)cc5)n34)c(F)c2)cc1,IRLFERLHPDERRK-UHFFFAOYSA-N,2,1,0.544,57,417,419.366,5.063,5,0.407,0.77,1.0,0.945351586594476,0.9615173737235282,0.9577736275786444,0.9618771845658283,0.9566299431156192
EOS-2-36257,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)cc2)nc1,GWFWCDDIUVWRIY-UHFFFAOYSA-N,2,1,0.671,57,15,419.366,5.063,5,0.407,0.83,1.0,0.9558118017956274,0.9488126242204098,0.9675913234185457,0.9683709135768624,0.9601466657528613
EOS-2-36258,Fc1cccc(Oc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)n5)c4)n23)c1,DTLKCBSBIZOFKX-UHFFFAOYSA-N,2,1,0.6,57,480,419.366,5.063,5,0.381,0.85,1.0,0.7919093962031389,0.882941539305051,0.9542183537797272,0.9571568089918443,0.8965565245699403
EOS-2-36259,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2)nc1,LIKOUVYQJAESTG-UHFFFAOYSA-N,2,1,0.532,57,145,419.366,5.063,5,0.407,0.8,1.0,0.915564389006922,0.9390206291549585,0.9638304434240285,0.964387293537112,0.9457006887807552
EOS-2-36260,Fc1ccc(Oc2cncc3nnc(-c4ccccc4-c4ncccc4F)n23)cc1F,SBVWPPYCOJYMCF-UHFFFAOYSA-N,2,1,0.575,57,480,419.366,5.063,5,0.407,0.75,1.0,0.9112209581248715,0.8803800287848674,0.9490867658145432,0.9565828250291275,0.9243176444383525
EOS-2-36261,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5cc(F)ccc5F)n34)cn2)cc1,XJHIAEWQFSMLEQ-UHFFFAOYSA-N,2,1,0.488,57,236,419.366,5.063,5,0.407,0.84,1.0,0.8457525186758961,0.933100884106641,0.9638390103488452,0.9683794805016791,0.9277679734082653
EOS-2-36262,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5cnc(F)c(F)c5)cc4)n23)c1,GAIBGWMVBODRPG-UHFFFAOYSA-N,2,1,0.645,57,913,419.366,5.063,5,0.381,0.84,1.0,0.8594595983825646,0.9418134466451923,0.9684994174491125,0.969416078404496,0.9347971352203414
EOS-2-36263,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)nc1,NZPOTSIHYFLBHK-UHFFFAOYSA-N,2,1,0.488,57,145,419.366,5.063,5,0.407,0.77,1.0,0.8291669522308273,0.8663816736344322,0.9608320197381948,0.962656774724145,0.9047593550818998
EOS-2-36264,Oc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)cc1F,KPXGKLFNZUMLRN-UHFFFAOYSA-N,2,1,0.348,45,102,419.366,4.643,5,0.461,0.77,1.0,0.5657168802686587,0.7578815708313343,0.9783770817627304,0.9814868754711809,0.820865602083476
EOS-2-36265,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5cc(F)ccc5F)cn4)n23)cc1,OJQAJZJIWGQLGK-UHFFFAOYSA-N,2,1,0.514,57,417,419.366,5.063,5,0.407,0.78,1.0,0.9478873963402097,0.9599324926324446,0.9675998903433624,0.9708553217736962,0.9615687752724282
EOS-2-36266,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)cc2)cn1,DNOQNCLSCRXESD-UHFFFAOYSA-N,2,1,0.662,57,913,419.366,5.063,5,0.381,0.79,1.0,0.944554862586526,0.957088273593311,0.97467617024193,0.9746076348433966,0.9627317353162909
EOS-2-36267,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cc1,GEMMFSRATHANLR-UHFFFAOYSA-N,2,1,0.452,57,236,419.366,5.063,5,0.407,0.88,1.0,0.7805753546706874,0.8380765540401618,0.9618429168665615,0.9688335275169625,0.8873320882735933
EOS-2-36268,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)cc2)cn1,VOPZAUXBAWVMBX-UHFFFAOYSA-N,2,1,0.488,57,913,419.366,5.063,5,0.381,0.75,1.0,0.9066033856486876,0.9541069837571106,0.9725944075114796,0.9712922349393461,0.951149252964156
EOS-2-36269,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)c(F)c4)n23)c(F)c1,PWMIUWMMVNDQDQ-UHFFFAOYSA-N,2,1,0.512,13,145,419.366,5.063,5,0.407,0.8,1.0,0.8970255637036529,0.9174405455417723,0.9714721403604962,0.9732968953464465,0.9398087862380919
EOS-2-36270,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5F)cn4)n23)c(F)c1,SUVRYFLRLKUAFE-UHFFFAOYSA-N,2,1,0.419,57,616,419.366,5.063,5,0.407,0.81,1.0,0.7604088136522514,0.8514666575286135,0.9588444931807278,0.9659293400041121,0.8841623260914262
EOS-2-36271,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)nc2)cc1,AXFAHHKSEDQXCZ-UHFFFAOYSA-N,2,1,0.538,57,236,419.366,5.063,5,0.407,0.81,1.0,0.8291755191556439,0.8803885957096841,0.9660835446508121,0.9716263450071962,0.9118185011308341
EOS-2-36272,Fc1cccc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)c1,VOTVCCSLHZYJDT-UHFFFAOYSA-N,2,1,0.582,13,236,419.366,5.063,5,0.407,0.74,1.0,0.857155095606881,0.8663902405592488,0.9721917620450963,0.9778544993489137,0.9183978993900349
EOS-2-36273,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccncc5)n34)ccc2F)cc1F,MAMRBZCAHJHMKD-UHFFFAOYSA-N,2,1,0.525,57,236,419.366,5.063,5,0.407,0.76,1.0,0.912728736892605,0.9541155506819272,0.9770920430402302,0.9782485778904805,0.9555462271263108
EOS-2-36274,Fc1cccc(Oc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)c1,HHSWYKHMOXMZLY-UHFFFAOYSA-N,2,1,0.59,13,236,419.366,5.063,5,0.407,0.74,1.0,0.780583921595504,0.872164347885683,0.9726029744362964,0.9774689877321636,0.9007050579124117
EOS-2-36275,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nc2)cc1,QGEAXJNAUZUSPB-UHFFFAOYSA-N,2,1,0.44,57,236,419.366,5.063,5,0.407,0.85,1.0,0.7890651771640053,0.8750599684737167,0.9618514837913782,0.967916866561579,0.8984733739976698
EOS-2-36276,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(F)c4)n23)c1,UBVIVHJJULJGLB-UHFFFAOYSA-N,2,1,0.632,57,913,419.366,5.063,5,0.381,0.76,1.0,0.8457610856007127,0.9298711534507573,0.9697416215475293,0.9729199506545131,0.9295734528133781
EOS-2-36277,Cn1nc(-c2nn[nH]n2)cc1COc1cncc2nnc(-c3ccc([N+](=O)[O-])cc3)n12,NTGNGSHTYSMHHY-UHFFFAOYSA-N,2,1,0.528,36,404,419.365,1.192,5,0.312,0.7,0.999,0.4106384072373381,0.17459392776368995,0.02911897745185388,0.00484887944623398,0.15480004797477898
EOS-2-36278,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc([N+](=O)[O-])cc4)n23)no1,VZYFALKNJHQCDA-UHFFFAOYSA-N,2,1,0.451,36,412,419.361,2.758,5,0.296,0.65,1.0,0.37287540264546637,0.16996778836268933,0.04539613460352272,0.009329381125351244,0.14939217668425742
EOS-2-36279,Fc1cnc(COc2cncc3nnc(-c4cc(-c5cncnc5)cnn4)n23)cc1F,GFQIVCNBGLBQJM-UHFFFAOYSA-N,2,1,0.419,92,435,419.355,2.29,5,0.423,0.61,1.0,0.47874545952984715,0.4491210335138099,0.5525580837502571,0.5436399150161059,0.506016122952505
EOS-2-36280,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nn4)n23)cc1F,OMPDPAPERMXXDB-UHFFFAOYSA-N,2,1,0.433,54,411,419.355,2.29,5,0.423,0.62,1.0,0.5497309985607566,0.5027928174902337,0.4839541498183812,0.4752587211294634,0.5029341717497087
EOS-2-36281,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)nc1F,WSXIFGMXARQXIK-UHFFFAOYSA-N,2,1,0.409,46,726,419.355,2.29,5,0.396,0.6,0.562,0.5367264066890549,0.4711037625933795,0.41945377287368923,0.3935216914536358,0.45520140840243994
EOS-2-36282,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(F)nc5)n34)ncn2)ccn1,IDSWFPZGMAAFPG-UHFFFAOYSA-N,2,1,0.368,46,395,419.355,2.29,5,0.312,0.55,0.75,0.6365139469536015,0.45368720444109384,0.47351106846686314,0.4283376739085738,0.4980124734425331
EOS-2-36283,Oc1cc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)ccc1-c1cncnn1,HMKRJNMQLHWCHV-UHFFFAOYSA-N,2,1,0.471,13,15,419.351,3.419,5,0.472,0.64,1.0,0.8086491672949078,0.6782520046604071,0.8113134809128915,0.8008018641628402,0.7747541292577617
EOS-2-36284,OCc1cc(F)cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)c1,DUVQNSBKKKKQOV-UHFFFAOYSA-N,2,1,0.605,68,255,419.338,3.416,4,0.499,0.79,1.0,0.6223271194571997,0.7956445754232061,0.9921526968679323,0.9766037283256802,0.8466820300185045
EOS-2-36285,N#Cc1ccc(-c2nnc3cncc(-c4nnn(-c5cc(F)c(F)c(F)c5)n4)n23)cc1,JBTCCAADFADRKR-UHFFFAOYSA-N,2,1,0.453,22,990,419.33,2.723,5,0.414,0.75,1.0,0.1942207525186759,0.44028853402782536,0.7862723596737715,0.8508926735658968,0.5679185799465424
EOS-2-36286,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)c(Cl)c1,LQNUVZRMWJDDAF-UHFFFAOYSA-N,2,1,0.412,96,558,419.275,5.222,5,0.401,0.83,1.0,0.29525906380645606,0.5920173394558289,0.9019772462476869,0.9465166883695428,0.6839425844698788
EOS-2-36287,Clc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)cc1,TZNUYMCYYQYZAR-UHFFFAOYSA-N,2,1,0.462,83,533,419.275,5.222,5,0.401,0.64,1.0,0.32323007333287646,0.6636282639983552,0.9082996367623878,0.9589301624288945,0.7135220341306284
EOS-2-36288,Clc1ccc(-c2nnc3cncc(-c4cccc(-c5ccnnc5)c4)n23)c(Cl)c1,KBUHKYPZCVBPQN-UHFFFAOYSA-N,2,1,0.402,45,46,419.275,5.222,5,0.401,0.7,1.0,0.28684634363648825,0.5580152148584744,0.9225892673565896,0.9613546021520115,0.6822013570008909
EOS-2-36289,Clc1ccc(-c2cccc(-c3ccc(-c4nnc5cncc(Cl)n45)nc3)c2)cn1,YZWRNOMLERVASI-UHFFFAOYSA-N,2,1,0.455,96,680,419.275,5.222,5,0.375,0.79,1.0,0.21357343567952847,0.29232917551915566,0.8844236172983346,0.9340432458364746,0.5810923685833733
EOS-2-36290,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c(Cl)c1,XPMBKXAIHUAKIG-UHFFFAOYSA-N,2,1,0.388,96,558,419.275,5.222,5,0.401,0.83,1.0,0.29789767664998973,0.5715595229936262,0.9260760057569735,0.9607634843396614,0.6890741724350627
EOS-2-36291,Clc1ccc(-c2nnc3cncc(-c4cccc(-c5cnccn5)c4)n23)c(Cl)c1,WKCHOKSIAYDGTA-UHFFFAOYSA-N,2,1,0.41,96,46,419.275,5.222,5,0.401,0.86,1.0,0.292423411692139,0.558023781783291,0.8950466040710027,0.9449489411280927,0.6726106846686313
EOS-2-36292,Clc1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(Cl)cn5)c4)n23)cc1,JPBILEIYYVGMOU-UHFFFAOYSA-N,2,1,0.441,96,46,419.275,5.222,5,0.401,0.82,1.0,0.38674525392365156,0.6295233363032006,0.8768161880611336,0.9340518127612912,0.7067841477623192
EOS-2-36293,Clc1cccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)c4)n23)c1Cl,JMFGYXFXIOVLIJ-UHFFFAOYSA-N,2,1,0.338,96,558,419.275,5.222,5,0.401,0.81,1.0,0.24373757795901582,0.40412754437667053,0.9225978342814063,0.9583390446165444,0.6322005003084092
EOS-2-36294,Brc1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)cc1,VAPSZGTVLNESDG-UHFFFAOYSA-N,2,1,0.429,22,154,419.246,3.401,5,0.482,0.73,1.0,0.2868549105613049,0.44912960043862654,0.41946233979850595,0.4845109999314646,0.4099894626824755
EOS-2-36295,Brc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1,OQMXYVWFEBDZLX-UHFFFAOYSA-N,2,1,0.484,9,340,419.242,4.271,5,0.435,0.8,1.0,0.32077136591049277,0.5028013844150504,0.6711500239873894,0.7134706325817285,0.5520483517236653
EOS-2-36296,Brc1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)nc4)n23)cn1,CKBXBGSLLLFTQE-UHFFFAOYSA-N,2,1,0.368,82,514,419.242,4.271,5,0.406,0.81,1.0,0.2466760331711329,0.29734939346172296,0.636942293194435,0.6561579055582208,0.45928140634637793
EOS-2-36297,Fc1ccccc1-c1nnc2cncc(OCc3ncc(F)c(Br)n3)n12,OBNUEXGHMHDUFR-UHFFFAOYSA-N,2,1,0.566,90,379,419.189,3.201,4,0.473,0.7,1.0,0.745767939140566,0.8310773764649442,0.5787300390651772,0.6418511411143856,0.6993566239462682
EOS-2-36298,Fc1cc(Br)cnc1COc1cncc2nnc(-c3ncccc3F)n12,JKMXCLIFCQBFCG-UHFFFAOYSA-N,2,1,0.47,90,244,419.189,3.201,4,0.506,0.68,1.0,0.5444366390240559,0.5715680899184429,0.6012267836337468,0.6588650538002878,0.5940241415941334
EOS-2-36299,CCOc1nnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)cc1F,BYDVTOZDYDBANO-UHFFFAOYSA-N,2,1,0.34,51,924,480.851,2.598,5,0.339,0.48,0.596,0.559934206017408,0.48415118908916455,0.11658727983003221,0.11948290041806593,0.3200388938386677
EOS-2-36300,O=C(c1ccc(F)cc1)c1ccc(CCOc2cncc3nnc(-c4c(F)cccc4Cl)n23)o1,RAPMCKHDDMWAAI-UHFFFAOYSA-N,2,1,0.554,88,671,480.858,5.168,5,0.299,0.72,0.999,0.9312675621958741,0.8310859433897608,0.8781269275580837,0.8931447467617024,0.8834062949763553
EOS-2-36301,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)nc4)n23)cc1,GPPYASRQSLFVNH-UHFFFAOYSA-N,2,1,0.679,1,805,480.862,5.082,5,0.3,0.81,1.0,0.9763981221300801,0.9499348913713933,0.930342334315674,0.9091477623192379,0.9414557775340964
EOS-2-36302,FC(F)Oc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4ccccn4)n3)n12,ZZTYYSPMSKCELV-UHFFFAOYSA-N,2,1,0.549,1,268,480.862,5.082,5,0.321,0.73,1.0,0.8269052840792269,0.9267013912685902,0.8913799602494689,0.8751028030978,0.8800223596737715
EOS-2-36303,COc1ccc(-c2cncc3nnc(-c4ccc(F)c(OCc5ccnc(Cl)c5)c4F)n23)cn1,YSMPMHSEUDXHMG-UHFFFAOYSA-N,2,1,0.317,96,46,480.862,4.768,5,0.323,0.74,1.0,0.670027756836406,0.7956531423480228,0.9185970803920225,0.8708107737646494,0.8137721883352751
EOS-2-36304,COc1cc(-c2nnc3cncc(-c4ccc(-c5cccnc5OC(F)F)nc4)n23)ccc1Cl,IQASUZOVSNHEBD-UHFFFAOYSA-N,2,1,0.333,96,121,480.862,5.179,5,0.331,0.72,1.0,0.7247190048660133,0.8721729148104996,0.9318415461585909,0.8945068878075526,0.8558100884106641
EOS-2-36305,COc1cc(-c2nnc3cncc(OCc4ccncc4Cl)n23)ccc1-c1cnc(F)c(F)c1,DSAKLEOBVJADDK-UHFFFAOYSA-N,2,1,0.462,97,103,480.862,4.768,5,0.323,0.62,1.0,0.9478959632650263,0.8984134055239531,0.939628880816942,0.9114522650949215,0.9243476286752108
EOS-2-36306,COc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)ncn2)cc1F,HGEAUOIFHYOBEF-UHFFFAOYSA-N,2,1,0.417,44,488,480.862,4.768,5,0.346,0.7,0.935,0.8110736070180248,0.8160167226372421,0.9269069974641903,0.9114608320197382,0.8663645397847988
EOS-2-36307,OCc1c(F)cc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4ccccn4)n23)cc1F,BQHHMOLPPQTMAX-UHFFFAOYSA-N,2,1,0.593,59,71,480.862,4.251,5,0.363,0.57,0.58,0.8004420533205401,0.8937187307244192,0.8768247549859502,0.8751113700226166,0.8615242272633815
EOS-2-36308,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ccc(F)c(F)c1,ACZMRVVLPYSXPE-UHFFFAOYSA-N,2,1,0.467,97,83,480.862,4.768,5,0.346,0.68,1.0,0.9222380234391063,0.9156757590295388,0.9101672263724213,0.8891354259475018,0.9093041086971421
EOS-2-36309,FC(F)Oc1cc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)ccc1Cl,NYJUDUCNUBWTQJ-UHFFFAOYSA-N,2,1,0.516,1,700,480.862,5.082,5,0.321,0.76,1.0,0.9453601535192927,0.9687050236447124,0.9168408608046056,0.9046758275649373,0.9338954663833869
EOS-2-36310,OCc1ccc(-c2nnc3cncc(OCc4cc(-c5cncc(Cl)c5)c(F)cn4)n23)cc1F,LMLFGEUWPPYHJX-UHFFFAOYSA-N,2,1,0.495,59,71,480.862,4.251,5,0.388,0.63,1.0,0.889957850729902,0.8883986704132685,0.9409910218627922,0.9357651977246247,0.9137781851826469
EOS-2-36311,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)cc5)n4)n23)cc1,VAFLZQMAGIXPNO-UHFFFAOYSA-N,2,1,0.654,1,996,480.862,5.082,5,0.321,0.85,1.0,0.916806593105339,0.9579792337742444,0.9303509012404907,0.92531354944829,0.932612569392091
EOS-2-36312,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ccc(F)cn1,KHPOKYPWHAPKRZ-UHFFFAOYSA-N,2,1,0.566,59,703,480.862,4.768,5,0.346,0.71,1.0,0.9141679802618052,0.8575834418477143,0.8646254540470153,0.8437392913439792,0.8700290418751284
EOS-2-36313,COc1cc(-c2nnc3cncc(-c4cnnc(-c5cccc(OC(F)F)c5)c4)n23)ccc1Cl,UVWIRGBHQMGSSZ-UHFFFAOYSA-N,2,1,0.378,96,697,480.862,5.179,5,0.331,0.63,1.0,0.5546398464807073,0.8275306695908436,0.9583219107669111,0.9441436501953259,0.821159019258447
EOS-2-36314,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1cccc(F)n1,KPFBDLUEBYHFPW-UHFFFAOYSA-N,2,1,0.553,59,703,480.862,4.768,5,0.323,0.68,1.0,0.8862312384346515,0.8514752244534302,0.8541738057706806,0.8278133781097937,0.8549234116921389
EOS-2-36315,FC(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1,FDNZNQLWANZWIK-UHFFFAOYSA-N,2,1,0.684,1,431,480.862,5.082,5,0.321,0.83,1.0,0.9525906380645603,0.9488211911452266,0.944940374203276,0.9295113426084572,0.94396588650538
EOS-2-36316,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)nn1,CEHOAJHQBXHQOI-UHFFFAOYSA-N,2,1,0.605,43,431,480.862,5.082,5,0.321,0.75,1.0,0.9771691453635802,0.9658179699814955,0.9355767253786581,0.9243540538688233,0.9507294736481393
EOS-2-36317,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)nc4)n23)cc1,CJXRCZPLAWGZCH-UHFFFAOYSA-N,2,1,0.658,1,996,480.862,5.082,5,0.3,0.82,1.0,0.9745133986704133,0.9519738194777603,0.9478873963402097,0.9295199095332739,0.9509736310054143
EOS-2-36318,COc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(Cl)c5)nc4)n23)cc1F,UBTKWDFKJNPHRH-UHFFFAOYSA-N,2,1,0.495,59,109,480.862,4.768,5,0.323,0.69,1.0,0.9261959427044069,0.9115636351175382,0.9310619560002742,0.8960403673497361,0.9162154752929889
EOS-2-36319,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)cn5)c4)n23)ccc1Cl,QPWUKAXFTJMUOO-UHFFFAOYSA-N,2,1,0.54,59,67,480.862,4.768,5,0.346,0.72,1.0,0.972868549105613,0.9671629771777123,0.932612569392091,0.9068689603180042,0.9448782639983551
EOS-2-36320,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccc2F)cc1=O,BOUVREBFRVKZOP-UHFFFAOYSA-N,2,1,0.512,34,605,480.862,4.063,5,0.377,0.66,1.0,0.7396768555959153,0.7956617092728394,0.8962888081694195,0.9091563292440545,0.8351959255705572
EOS-2-36321,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)cc2F)n[nH]1,DKRBLTCVABHOMY-UHFFFAOYSA-N,2,1,0.567,88,273,480.862,4.095,5,0.393,0.73,1.0,0.9274724145020903,0.9005037351792201,0.9019858131725036,0.9114693989445548,0.9103578404495922
EOS-2-36322,COc1ccc(-c2cc(COc3cncc4nnc(-c5cc(F)c(Cl)c(F)c5)n34)ccn2)cn1,CRAPEJOZDRYHLX-UHFFFAOYSA-N,2,1,0.512,59,89,480.862,4.768,5,0.323,0.71,1.0,0.9236772668083065,0.9531474881776437,0.9269155643890069,0.8850404358851347,0.9221951888150229
EOS-2-36323,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nc5)n4)n23)cc1,TUEGMFKINWEIAT-UHFFFAOYSA-N,2,1,0.663,1,996,480.862,5.082,5,0.3,0.79,1.0,0.8807569734768008,0.9418220135700089,0.9295199095332739,0.910304297169488,0.915600798437393
EOS-2-36324,FC(F)Oc1ccc(Cl)cc1-c1nnc2cncc(OCc3cccc(-c4cccnn4)c3)n12,FQUVBHFBJVQJDJ-UHFFFAOYSA-N,2,1,0.543,43,433,480.862,5.082,5,0.321,0.77,1.0,0.8594681653073812,0.8750685353985334,0.9425330683297923,0.9322613254746076,0.9023327736275786
EOS-2-36325,COc1cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1-c1ccc(Cl)nc1,NJWHATSIXHTDRE-UHFFFAOYSA-N,2,1,0.467,97,83,480.862,4.768,5,0.323,0.64,1.0,0.8707079706668495,0.8721814817353163,0.9019943800973202,0.8751199369474334,0.8800009423617299
EOS-2-36326,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c(F)c2)cc1=O,DBBNHCIBVUKNAI-UHFFFAOYSA-N,2,1,0.625,59,96,480.862,4.063,5,0.377,0.67,1.0,0.7748269481187033,0.8275392365156603,0.9083082036872044,0.9114779658693716,0.8555380885477349
EOS-2-36327,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)cc5)nn4)n23)cc1,GEJVAEYKJWGRHK-UHFFFAOYSA-N,2,1,0.662,1,372,480.862,5.082,5,0.321,0.81,1.0,0.8683520663422658,0.9561202110890274,0.9276951545473237,0.9232831882667397,0.9188626550613391
EOS-2-36328,FC(F)Oc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,VTCXRGWLPMPTMR-UHFFFAOYSA-N,2,1,0.598,1,232,480.862,5.082,5,0.321,0.81,1.0,0.9733911315194298,0.9687135905695292,0.9396374477417586,0.920156260708656,0.9504746076348434
EOS-2-36329,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1cncc(F)c1,VKYWKJVIMVTOCM-UHFFFAOYSA-N,2,1,0.494,97,526,480.862,4.768,5,0.346,0.61,1.0,0.8917569049414023,0.8415375916660955,0.8996213419231033,0.8793005962579672,0.8780541086971421
EOS-2-36330,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2F)ccc1=O,SYGCEUUKWZOIKA-UHFFFAOYSA-N,2,1,0.658,43,96,480.862,4.063,5,0.377,0.66,1.0,0.9066119525735042,0.87507710232335,0.8844321842231513,0.8917911726406689,0.8894781029401686
EOS-2-36331,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)c(F)c1F,VNIUOCOXMRKLBP-UHFFFAOYSA-N,2,1,0.413,18,194,480.866,3.9,5,0.36,0.53,0.998,0.7805924885203207,0.7077564937290111,0.6846857651977246,0.6881382358988417,0.7152932458364746
EOS-2-36332,FC(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ccn2)cn1,CJMBOKSMXOYGBR-UHFFFAOYSA-N,2,1,0.505,75,496,480.866,4.251,5,0.34,0.62,0.965,0.7573589884175177,0.8663988074840655,0.657648550476321,0.6389812213008018,0.7300968919196765
EOS-2-36333,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2F)n1,GGBVQSWXWULRQS-UHFFFAOYSA-N,2,1,0.522,37,325,480.866,3.9,5,0.337,0.63,1.0,0.9633078610102118,0.9561287780138441,0.6683143718730724,0.6588736207251045,0.8116561579055582
EOS-2-36334,Cc1cnc(-c2cc(F)c(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)nn1,HXFLIRAZPSWJCX-UHFFFAOYSA-N,2,1,0.511,37,141,480.866,3.9,5,0.36,0.63,1.0,0.8340500993763279,0.9054554177232541,0.5757915838530601,0.6242975121650333,0.7348986532794188
EOS-2-36335,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)n1,MIZKHKIAKNKIIY-UHFFFAOYSA-N,2,1,0.443,44,531,480.866,3.9,5,0.36,0.63,1.0,0.7947621821670893,0.7619765608937016,0.5010879994517168,0.5851895003769447,0.6607540607223632
EOS-2-36336,Cc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c(-c2ncc(F)cn2)n1,VYSDBUOPFFDCKF-UHFFFAOYSA-N,2,1,0.639,73,263,480.866,3.9,5,0.36,0.64,1.0,0.9488297580700432,0.917449112466589,0.5289733397299705,0.588145089438695,0.7458493249263244
EOS-2-36337,FC(F)(F)c1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)c2)cc1,WOBZOKMTWBPQDY-UHFFFAOYSA-N,2,1,0.662,79,23,480.877,6.71,5,0.28,0.84,1.0,0.9711037625933795,0.9721232266465629,0.9977126310739497,0.9981324103899664,0.9847680076759646
EOS-2-36338,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)c(Cl)c1,DCENBPRMXNGWKS-UHFFFAOYSA-N,2,1,0.638,57,485,480.877,6.151,5,0.292,0.8,1.0,0.968250976629429,0.9873466520457816,0.9879720375573984,0.9931207593722158,0.9841726064012062
EOS-2-36339,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)ccc2F)cc1F,WRJJYIPUDBSTRG-UHFFFAOYSA-N,2,1,0.775,57,485,480.877,6.151,5,0.292,0.76,1.0,0.9981495442395998,0.9987149612774998,0.9890686039339319,0.9938746487560826,0.9949519395517785
EOS-2-36340,FC(F)(F)c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1,KZAGQOFWIDJPSI-UHFFFAOYSA-N,2,1,0.685,79,23,480.877,6.71,5,0.28,0.82,1.0,0.9940716880268659,0.9931378932218491,0.9978497018710164,0.9981581111644164,0.995804348571037
EOS-2-36341,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2)cc1F,PRWZDHMLIYGMMX-UHFFFAOYSA-N,2,1,0.824,57,853,480.877,6.151,5,0.292,0.73,1.0,0.9980210403673497,0.9985950243300665,0.989788225618532,0.9937118771845658,0.9950290418751285
EOS-2-36342,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cc2)cc1F,TUDAKUKLFWUSAH-UHFFFAOYSA-N,2,1,0.662,57,853,480.877,6.151,5,0.292,0.76,1.0,0.9945685696662326,0.9982866150366665,0.9887087930916318,0.9934034678911657,0.9937418614214242
EOS-2-36343,FC(F)(F)c1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c1,AIRVGOVBMKJRRQ-UHFFFAOYSA-N,2,1,0.662,83,23,480.877,6.71,5,0.28,0.85,1.0,0.9918699883489822,0.9882033445274484,0.9977211979987664,0.9980553080666164,0.9939624597354533
EOS-2-36344,FC(F)(F)c1ccccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)cc3)n12,SGEYSLPYABPYFC-UHFFFAOYSA-N,2,1,0.649,83,23,480.877,6.71,5,0.28,0.83,1.0,0.9891714070317319,0.9895740524981153,0.9971215132615996,0.997344253306833,0.9933028065245698
EOS-2-36345,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)cc1F,DBTODUYOEUWRJB-UHFFFAOYSA-N,2,1,0.824,57,853,480.877,6.151,5,0.292,0.76,1.0,0.9981581111644164,0.9985350558563498,0.9897967925433486,0.9937204441093825,0.9950526009183744
EOS-2-36346,Clc1ccc(-c2ncc(Oc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nn1,VQVLWPBGVZXYLG-UHFFFAOYSA-N,2,1,0.402,42,868,480.879,3.941,6,0.357,0.69,0.991,0.6423908573778356,0.7877715715166884,0.4086765814543212,0.434702899047358,0.5683854773490508
EOS-2-36347,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1nc(C)no1,HOQGBBVEKZQAIK-UHFFFAOYSA-N,2,1,0.522,91,313,480.887,4.572,5,0.334,0.7,1.0,0.8412206154478789,0.7536066753478171,0.6711585909122062,0.609502433006648,0.7188720786786374
EOS-2-36348,CCOCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)o1,RDBVJHWRNOXTOL-UHFFFAOYSA-N,2,1,0.654,43,96,480.887,4.749,5,0.313,0.69,1.0,0.8594767322321979,0.8750856692481667,0.6576571174011376,0.6418597080392022,0.758519806730176
EOS-2-36349,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1noc(C)n1,JNXMSPPJSIMVQF-UHFFFAOYSA-N,2,1,0.528,91,313,480.887,4.572,5,0.334,0.69,1.0,0.8571636625316976,0.8120159687478583,0.6545901583167706,0.60021588650538,0.7309964190254267
EOS-2-36350,COc1nc(-c2nnc3cncc(OCCc4nc(Cl)ccc4F)n23)ccc1-c1nccn1C,VVPQMKNLHQPQCB-UHFFFAOYSA-N,2,1,0.38,49,551,480.891,3.404,5,0.326,0.62,0.997,0.6365225138784182,0.5210575011993694,0.2431036255225824,0.22678363374683025,0.4068668185868001
EOS-2-36351,COc1nc(-c2nnc3cncc(OCCc4cnc(F)c(Cl)c4)n23)ccc1-c1ccnn1C,ULCNKAZHGAPLLY-UHFFFAOYSA-N,2,1,0.455,49,773,480.891,3.404,5,0.326,0.64,0.999,0.5084812555685011,0.440297100952642,0.4234973613871565,0.34853676924131316,0.43020312178740316
EOS-2-36352,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1cnc(C)n1C,OYGHETMFKQIRGU-UHFFFAOYSA-N,2,1,0.419,51,379,480.891,3.67,5,0.339,0.67,1.0,0.6850284421903914,0.5822681790144609,0.4194709067233226,0.31984613803029266,0.5016534164896169
EOS-2-36353,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nn(C)c2=O)cn1,WLQYOQSRUWDJTR-UHFFFAOYSA-N,2,1,0.54,95,998,480.891,3.14,5,0.367,0.66,1.0,0.3107994654238914,0.25089096018093343,0.3871393324652183,0.43471146597217464,0.34588530601055445
EOS-2-36354,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1-c1n[nH]c(C)n1,AMAGGJAGDZJTEG-UHFFFAOYSA-N,2,1,0.431,49,442,480.891,3.702,5,0.375,0.7,0.999,0.6083458981563977,0.6541875128503872,0.36062470015763143,0.34528133781097936,0.49210986224384895
EOS-2-36355,COCn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)ncc2F)cn1,HRTPCJCKLTXEIS-UHFFFAOYSA-N,2,1,0.433,51,196,480.891,3.729,5,0.347,0.62,1.0,0.4909276266191488,0.6204509629223494,0.45268487423754367,0.44069974641902543,0.5011908025495169
EOS-2-36356,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1ccn(C)n1,GQRFTPDYNIERRR-UHFFFAOYSA-N,2,1,0.418,49,773,480.891,3.404,5,0.326,0.6,0.999,0.5469124802960729,0.4625625385511617,0.40868514837913783,0.3359862243848948,0.4385365979028168
EOS-2-36357,COc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nn2C)c1,INGIKMCVGQXSHM-UHFFFAOYSA-N,2,1,0.425,95,493,480.891,3.404,5,0.326,0.64,0.992,0.41284867384003837,0.34666061270646287,0.5010965663765334,0.4439037763004592,0.42612740730587345
EOS-2-36358,OCCn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2)n1,XJUXOCAQZZOPBC-UHFFFAOYSA-N,2,1,0.709,91,781,480.891,2.851,5,0.36,0.72,1.0,0.742752381605099,0.6881639366732918,0.3495305325200466,0.4407083133438421,0.5552887910355699
EOS-2-36359,COc1cc(-c2nnc3cncc(OCc4c(-c5cnccn5)nc(CF)n4C)n23)ccc1Cl,UGOHDZBCVXZLBI-UHFFFAOYSA-N,2,1,0.442,7,540,480.891,3.692,5,0.347,0.58,1.0,0.6028544993489137,0.7077650606538277,0.23592454252621478,0.25320402988143376,0.44993703310259753
EOS-2-36360,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)nc1CO,HZECBIHMLBMWRV-UHFFFAOYSA-N,2,1,0.544,84,35,480.891,2.888,5,0.378,0.74,1.0,0.42676992666712354,0.4580220683983277,0.3380508532657117,0.3996127749982866,0.40561390583236245
EOS-2-36361,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cn(C)cn1,GEVCVTDJZUTTOI-UHFFFAOYSA-N,2,1,0.429,49,773,480.891,3.404,5,0.326,0.57,0.985,0.6250685353985334,0.5487201014323898,0.42350592831197315,0.3485453361661298,0.4864599753272565
EOS-2-36362,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)ccc1-c1ccn(C)n1,TYGOGSRRDOLRBH-UHFFFAOYSA-N,2,1,0.41,49,501,480.891,3.404,5,0.349,0.58,0.999,0.48098142690699747,0.444811870331026,0.3834298540196011,0.32285312864094307,0.4080190699746419
EOS-2-36363,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(-c6ccncc6)cn5)nn4)n23)cc1Cl,YDAITUHAHMBPHA-UHFFFAOYSA-N,2,1,0.367,32,572,480.894,5.165,6,0.343,0.76,0.993,0.3429082996367624,0.5438198204372559,0.8203687204441094,0.8626379274895484,0.6424336920019189
EOS-2-36364,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cccnc3-c3ccc(-c4cncnc4)cn3)n12,KJCNDBNWQZMJHF-UHFFFAOYSA-N,2,1,0.34,42,170,480.894,5.165,6,0.343,0.62,1.0,0.3185268316085258,0.6390411897745185,0.8113220478377082,0.8542937427181139,0.6557959529847166
EOS-2-36365,Fc1ccccc1-c1cc(-c2nnc3cncc(-c4cnc(-c5cnccn5)cn4)n23)ccc1Cl,HFSCKPUGEOOIBC-UHFFFAOYSA-N,2,1,0.418,64,443,480.894,5.165,6,0.343,0.59,1.0,0.35204920841614695,0.6587279830032212,0.8169162497429923,0.8693029949969159,0.674249109039819
EOS-2-36366,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cn5)n34)nc2)cn1,NGKOFSQSNGVAOJ-UHFFFAOYSA-N,2,1,0.387,32,20,480.894,5.165,6,0.343,0.74,1.0,0.26533479542183536,0.44030566787745873,0.7725995476663697,0.829972243163594,0.5770530635323144
EOS-2-36367,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)cn2)nc1,RPIBSPBLBFSHQW-UHFFFAOYSA-N,2,1,0.325,32,152,480.894,5.165,6,0.343,0.74,1.0,0.30031354944829003,0.4536957713659105,0.7679819751901857,0.8161623603591255,0.5845384140908779
EOS-2-36368,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6cncc(Cl)c6)n5)n34)cc2)cc1,PGJXBNGDNDHCBQ-UHFFFAOYSA-N,2,1,0.382,3,550,480.894,5.165,6,0.343,0.6,0.997,0.32586011925159347,0.5669933520663423,0.7796501267904873,0.8693115619217325,0.6354537900075389
EOS-2-36369,Fc1cnccc1-c1nncc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ccccc5)c4)n23)n1,QQFAOZGYMDVYRK-UHFFFAOYSA-N,2,1,0.333,30,186,480.894,5.165,6,0.343,0.66,1.0,0.372883969570283,0.5967462819546295,0.7632101980673017,0.8578147488177644,0.6476637996024946
EOS-2-36370,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(Cl)cn6)cc5)n34)cc2)cn1,XZOIBDIXKAMGLM-UHFFFAOYSA-N,2,1,0.38,9,867,480.894,5.165,6,0.343,0.71,1.0,0.35675245014049756,0.48878589541498185,0.7679905421150024,0.7964927009800562,0.6025053971626345
EOS-2-36371,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nc2)cnc1Cl,PWTBCDNPRJNPAW-UHFFFAOYSA-N,2,1,0.329,42,171,480.894,5.165,6,0.321,0.71,0.999,0.3003221163731067,0.48010760057569735,0.8743831814131999,0.8864625454047015,0.6353188609416764
EOS-2-36372,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)ccc1-c1cncnc1,YUHXYAMRBPSBAD-UHFFFAOYSA-N,2,1,0.321,69,171,480.894,5.165,6,0.321,0.65,1.0,0.39980981426907,0.5345761085600713,0.8660732643410322,0.8764563772188335,0.6692288910972518
EOS-2-36373,Fc1ncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1Cl,ZBNACXADRJLPLJ-UHFFFAOYSA-N,2,1,0.373,93,774,480.894,5.165,6,0.321,0.74,0.765,0.36141285724076483,0.5116167500514015,0.7446456719895826,0.8318483996984443,0.6123809197450483
EOS-2-36374,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cn6)cc5)n34)cn2)ccn1,INWBCJTYTITTIZ-UHFFFAOYSA-N,2,1,0.342,32,20,480.894,5.165,6,0.321,0.64,1.0,0.3660218627921321,0.5028099513398671,0.8049225549996574,0.8399955451990954,0.628437478582688
EOS-2-36375,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nc5)n34)nc2)cc1Cl,ODGLOSSPUTXQCB-UHFFFAOYSA-N,2,1,0.288,32,327,480.894,5.165,6,0.343,0.73,0.999,0.30800664793365773,0.46257110547597835,0.8315057227057775,0.862646494414365,0.6161824926324446
EOS-2-36376,Fc1ccc(Cl)cc1-c1nncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1,ZNYRSLVIXWHMSP-UHFFFAOYSA-N,2,1,0.329,30,737,480.894,5.165,6,0.343,0.63,0.995,0.24943458296209992,0.462579672400795,0.7109690905352615,0.8258429854019601,0.5622065828250291
EOS-2-36377,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)nc5)n34)nc2)cn1,XFATWURYLSLKJX-UHFFFAOYSA-N,2,1,0.392,32,20,480.894,5.165,6,0.343,0.73,1.0,0.3003306832979234,0.5162600233020355,0.7901960112398053,0.8318569666232609,0.6096609211157562
EOS-2-36378,Fc1ncccc1-c1nc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)ccc1Cl,LXKQXYHNJGLAJZ-UHFFFAOYSA-N,2,1,0.333,3,787,480.894,5.165,6,0.321,0.62,1.0,0.3284473305462271,0.5162685902268521,0.751884723459667,0.8008104310876568,0.5993527688301008
EOS-2-36379,Cc1cc(-c2nn3ccccc3c2-c2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)ncc1F,BGXRMVIHISUHTH-UHFFFAOYSA-N,2,1,0.3,96,216,480.894,5.141,6,0.348,0.67,0.369,0.2952676307312727,0.480116167500514,0.8397128366801453,0.8864711123295183,0.6253919368103625
EOS-2-36380,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(Cl)nn6)cc5)n34)cc2)cn1,TUOVLTRDTJALSI-UHFFFAOYSA-N,2,1,0.338,69,98,480.894,5.165,6,0.321,0.7,1.0,0.3159995887876088,0.4667860324857789,0.8242238366116099,0.8509012404907135,0.6144776745939278
EOS-2-36381,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,FXSNFJSDRQFFKY-UHFFFAOYSA-N,2,1,0.675,91,781,480.906,5.038,5,0.311,0.75,1.0,0.8987646494414365,0.8575920087725311,0.8601792200671647,0.8611644164210814,0.8694250736755533
EOS-2-36382,Cn1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1-c1ccc(C(F)F)cc1,RJWBYXBPPVZPMS-UHFFFAOYSA-N,2,1,0.701,91,660,480.906,5.404,5,0.312,0.73,1.0,0.70009766294291,0.7791104105270372,0.9196251113700226,0.916883695428689,0.8289292200671647
EOS-2-36383,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cc4F)n23)cc1,SKLWGVRCIYSUNW-UHFFFAOYSA-N,2,1,0.562,91,781,480.906,5.228,5,0.298,0.67,1.0,0.9396631485162086,0.8884072373380851,0.9101757932972381,0.8945154547323693,0.9081904084709753
EOS-2-36384,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1F,SXVHPAXEAATTQE-UHFFFAOYSA-N,2,1,0.571,88,70,480.906,5.053,5,0.34,0.77,1.0,0.772076965252553,0.8857257898704681,0.8985676101706531,0.8931533136865191,0.8623809197450483
EOS-2-36385,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1F,CTSCKIXLCXPBSH-UHFFFAOYSA-N,2,1,0.539,88,70,480.906,5.228,5,0.319,0.73,1.0,0.8987732163662532,0.8694657665684326,0.8901291892262353,0.8945240216571859,0.8882230484545268
EOS-2-36386,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1F,PWYRCBRIPIQIFR-UHFFFAOYSA-N,2,1,0.675,88,70,480.906,5.228,5,0.319,0.73,1.0,0.9558203687204441,0.9096360770337879,0.9129000753889384,0.9058580631896375,0.921053646083202
EOS-2-36387,Cc1cccc(Cl)c1CCOc1cncc2nnc(-c3cc(-c4ccc(F)c(F)c4)nn3C)n12,GGEQNHCPUNJHJU-UHFFFAOYSA-N,2,1,0.528,19,570,480.906,5.053,5,0.34,0.75,1.0,0.5184103214310192,0.5967548488794462,0.8527002947022136,0.8708193406894661,0.7096712014255363
EOS-2-36388,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc(F)c2=O)s1,COWIVULHZGKILZ-UHFFFAOYSA-N,2,1,0.451,73,196,480.912,4.35,5,0.369,0.71,0.969,0.5712682475498595,0.49841511890891643,0.5690922486464258,0.6002244534301967,0.5597500171338496
EOS-2-36389,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ccno6)n5)n34)c2)cc1,CBCYAQKEPSFTCA-UHFFFAOYSA-N,2,1,0.552,12,492,480.915,5.741,6,0.3,0.71,1.0,0.5084898224933178,0.6344578849976013,0.7818004249194709,0.805085326571174,0.682458364745391
EOS-2-36390,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(-c6ccccc6)o5)c4)n23)cc1,GKRNYVSXMBUSTO-UHFFFAOYSA-N,2,1,0.658,12,897,480.915,5.741,6,0.3,0.81,1.0,0.935705229250908,0.9579878006990611,0.7345881022548146,0.7633215680899185,0.8479006750736755
EOS-2-36391,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)c5)n34)co2)cc1,KPNMAEGNZMWWLU-UHFFFAOYSA-N,2,1,0.54,28,177,480.915,5.741,6,0.3,0.74,1.0,0.6761274073058735,0.6159104927695155,0.8068158453841409,0.8093859228291412,0.7270599170721678
EOS-2-36392,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4Cl)cc3)n12,CELUZQUMTZWQEC-UHFFFAOYSA-N,2,1,0.356,93,538,480.915,5.837,6,0.306,0.74,1.0,0.5883078610102118,0.6059814269069974,0.8476458090603797,0.8437478582687958,0.7214207388115961
EOS-2-36393,COc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)ccc2Cl)cn1,YBGYDBYPGQHBSX-UHFFFAOYSA-N,2,1,0.349,69,30,480.915,5.837,6,0.306,0.74,1.0,0.5628812281543417,0.6541960797752039,0.8729782057432663,0.8419145363580289,0.7329925125077101
EOS-2-36394,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)cc2)cc1,NJHNQGYVBURXGV-UHFFFAOYSA-N,2,1,0.612,12,994,480.915,5.741,6,0.3,0.76,1.0,0.901797340826537,0.8911400863546022,0.8527088616270304,0.8626550613391817,0.8770753375368379
EOS-2-36395,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(-c6nnco6)cc5)c4)n23)cc1,SITAITSUMBDQHX-UHFFFAOYSA-N,2,1,0.625,12,994,480.915,5.741,6,0.3,0.76,1.0,0.9155729559317387,0.9455657597148928,0.857129394832431,0.8675125077102324,0.8964451545473238
EOS-2-36396,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)c(-c2ccccc2)n1,VWXFKWJSXCGICV-UHFFFAOYSA-N,2,1,0.473,77,932,480.919,4.666,6,0.32,0.62,1.0,0.4243626207936399,0.5116253169762183,0.5220341306284696,0.5531320677129737,0.5027885340278253
EOS-2-36397,Clc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)cn1,BCOJHXBVVRQBRR-UHFFFAOYSA-N,2,1,0.5,41,763,480.919,4.871,6,0.339,0.65,1.0,0.6452522102666027,0.6978531286409431,0.7421869645671989,0.7266208621753135,0.7029782914125146
EOS-2-36398,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)cc4)n23)nc1,FAZPHKZDTMUBJR-UHFFFAOYSA-N,2,1,0.526,40,922,480.919,4.466,6,0.344,0.53,1.0,0.9344801590021246,0.937512850387225,0.5622644095675416,0.6095109999314646,0.7609421047220889
EOS-2-36399,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnn(-c6ccccc6)n5)c4)n23)cc1,DZZOAOFKTXJHQM-UHFFFAOYSA-N,2,1,0.595,77,897,480.919,4.666,6,0.342,0.74,1.0,0.7093071071208279,0.8310945103145775,0.542423411692139,0.615662051949832,0.6746217702693441
EOS-2-36400,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnn(-c6ccccc6)n5)cc4)n23)cc1,DXHHFBRJFUSICQ-UHFFFAOYSA-N,2,1,0.617,77,897,480.919,4.666,6,0.342,0.76,1.0,0.77483551504352,0.8485196353916798,0.5622729764923583,0.6271331642793503,0.7031903228017271
EOS-2-36401,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4Cl)cn3)n12,WCNCEXKDJQIPEH-UHFFFAOYSA-N,2,1,0.302,30,737,480.919,4.967,6,0.371,0.68,1.0,0.3055393735864574,0.3848091289150846,0.6956771297375094,0.7048266054417106,0.5227130594201905
EOS-2-36402,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cc1-c1ccccn1,MMYAZIGLOGNRKO-UHFFFAOYSA-N,2,1,0.556,28,932,480.919,4.666,6,0.342,0.66,1.0,0.3933931875813858,0.6159190596943321,0.6462802412446028,0.6532708518950038,0.5772158351038311
EOS-2-36403,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5-c5ccccc5)n4)n23)cc1,FQUVRZASGZJKAK-UHFFFAOYSA-N,2,1,0.516,77,897,480.919,4.666,6,0.342,0.66,0.992,0.5392193818107053,0.735556164759098,0.5011051333013501,0.5881536563635118,0.5910085840586663
EOS-2-36404,Cn1nc(-c2ccnc(Cl)c2)cc1Oc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,HZRUIFZCCFNHGV-UHFFFAOYSA-N,2,1,0.376,30,363,480.919,5.095,6,0.317,0.72,1.0,0.4332893564526078,0.4887944623397985,0.5818483996984443,0.5913748200945789,0.5238267596463574
EOS-2-36405,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cn(-c6ccccc6)nn5)c4)n23)cc1,SMRLODFLTZTIIU-UHFFFAOYSA-N,2,1,0.539,77,177,480.919,4.666,6,0.342,0.75,1.0,0.5712768144746762,0.6587365499280379,0.6518830100747036,0.6940065793982592,0.6439757384689192
EOS-2-36406,Clc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)cc1,KWCWGDKMEZGQKT-UHFFFAOYSA-N,2,1,0.535,40,2,480.919,4.666,6,0.342,0.73,1.0,0.5034867384003838,0.5625299842368583,0.6983500102803097,0.7107292166403948,0.6187739873894866
EOS-2-36407,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6cc[nH]n6)n5)n34)c2)cc1,YWWAMRQUFGSKCF-UHFFFAOYSA-N,2,1,0.449,28,667,480.919,4.871,6,0.362,0.65,0.986,0.48601877869919813,0.6439671715441025,0.6683229387978891,0.6994637105064766,0.6244431498869166
EOS-2-36408,Clc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)c1,ZEEWSNZRZAAHQF-UHFFFAOYSA-N,2,1,0.522,41,763,480.919,4.871,6,0.362,0.68,1.0,0.696927900760743,0.7124597354533616,0.7393684463025153,0.7375265574669316,0.7215706599958879
EOS-2-36409,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c(Oc2ccc(Cl)cc2)n1,KQSZFWCQQYDVKV-UHFFFAOYSA-N,2,1,0.394,3,192,480.919,5.393,6,0.352,0.67,1.0,0.46120896443012815,0.5625385511616751,0.6462888081694195,0.6532794188198204,0.5808289356452608
EOS-2-36410,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)nc4)n23)nc1,UHFJEVSCIIVAOG-UHFFFAOYSA-N,2,1,0.385,28,318,480.919,5.095,6,0.339,0.69,1.0,0.6365310808032348,0.6733859913645398,0.6604413679665547,0.6330529093276678,0.6508528373654994
EOS-2-36411,Cn1nc(-c2ccc(Cl)cn2)nc1Oc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,OIEHBAODFDARKY-UHFFFAOYSA-N,2,1,0.418,12,285,480.919,5.095,6,0.339,0.69,1.0,0.5211688712219862,0.5822767459392776,0.38343842094441777,0.4812384346514975,0.4920306181892947
EOS-2-36412,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cn(-c6ccccc6)nn5)ccn4)n23)cc1,DVJWCJQDJOMQOJ-UHFFFAOYSA-N,2,1,0.527,77,177,480.919,4.666,6,0.342,0.83,0.998,0.44284147762319237,0.6390497566993352,0.610324857789048,0.6532879857446371,0.5863760194640532
EOS-2-36413,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-n6cccn6)c5)n34)ccn2)cn1,YODKGRSLJQBKQX-UHFFFAOYSA-N,2,1,0.468,28,942,480.919,4.666,6,0.32,0.76,1.0,0.444940374203276,0.46258823932561166,0.7034473305462271,0.6881468028236584,0.5747806867246933
EOS-2-36414,Clc1ccc(COc2ncccc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,TUSONIRYYAPYIJ-UHFFFAOYSA-N,2,1,0.34,30,195,480.919,4.666,6,0.32,0.64,0.99,0.13354979096703448,0.26083715989308476,0.5818569666232609,0.5851980673017614,0.3903604961962854
EOS-2-36415,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nc(Cl)ccc5Oc5ccccc5)n34)cn2)cn1,NOQKWHIUYYKSHY-UHFFFAOYSA-N,2,1,0.333,30,586,480.919,5.095,6,0.317,0.66,1.0,0.24136453978479885,0.33658590912206154,0.5787386059899938,0.5913833870193955,0.43701811047906247
EOS-2-36416,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)cc4)n23)ccn1,XNEAYTBLBRGMID-UHFFFAOYSA-N,2,1,0.511,40,201,480.919,4.466,6,0.322,0.52,1.0,0.942567336029059,0.955203550133644,0.6279041875128504,0.6561664724830375,0.7954603865396477
EOS-2-36417,Clc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)cn1,DLCDNXFICDWWQX-UHFFFAOYSA-N,2,1,0.474,28,414,480.919,4.666,6,0.342,0.7,1.0,0.4957679391405661,0.5162771571516689,0.6873843465149749,0.6940151463230758,0.5983611472825714
EOS-2-36418,Cn1nc(-c2ccc(Cl)cc2)cc1Oc1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,IXCVUOYDKYDBGT-UHFFFAOYSA-N,2,1,0.402,41,177,480.919,5.095,6,0.339,0.79,1.0,0.49093619354396545,0.6247515591803167,0.622241450209033,0.6330614762524844,0.5927476697964499
EOS-2-36419,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(Cl)cc5)n4)n23)nc1,UVCYKUWGUCGBGS-UHFFFAOYSA-N,2,1,0.337,30,118,480.919,4.763,6,0.351,0.72,0.885,0.05043348639572339,0.25089952710575014,0.5491484476732232,0.597354533616613,0.36195899869782744
EOS-2-36420,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)cn2)nn1,XXFGOPPRNKBSRC-UHFFFAOYSA-N,2,1,0.374,30,960,480.919,5.095,6,0.339,0.8,1.0,0.20538345555479406,0.317695839901309,0.6193458296209993,0.667680419436639,0.4525263861284353
EOS-2-36421,Clc1ccc(-n2cnnc2COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,XCOYLNIVIXKPTA-UHFFFAOYSA-N,2,1,0.478,77,177,480.919,4.666,6,0.342,0.73,1.0,0.5444452059488726,0.534584675484888,0.6193543965458159,0.6881553697484751,0.5966349119320129
EOS-2-36422,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5)n34)cc2)cn1,DJGHRKMOQFXPFB-UHFFFAOYSA-N,2,1,0.506,77,933,480.919,4.666,6,0.342,0.79,1.0,0.5740524981152766,0.5210660681241861,0.7008686861764101,0.6765728873963403,0.6181400349530533
EOS-2-36423,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ncc[nH]6)n5)n34)c2)nc1,JVLZAKGLBUUNTQ-UHFFFAOYSA-N,2,1,0.455,28,667,480.919,4.871,6,0.362,0.7,1.0,0.5686467685559592,0.5822853128640944,0.5850952642039613,0.6030429716948804,0.5847675793297238
EOS-2-36424,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cc5ccncc5nn4)nc3)n12,WSHIDPOSOIRHBT-UHFFFAOYSA-N,2,1,0.593,28,56,480.919,4.466,6,0.344,0.66,0.999,0.8215852237680762,0.9230518812966897,0.5758001507778767,0.6418682749640189,0.7405763827016653
EOS-2-36425,Cc1cc(-c2cc3ccncc3nn2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,KVGDGYCUNWCCLG-UHFFFAOYSA-N,2,1,0.408,97,247,480.919,4.732,6,0.326,0.48,1.0,0.7121256253855116,0.7707833596052361,0.6740285107257898,0.6734716606127065,0.707602289082311
EOS-2-36426,Clc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1ccncc1,CQLBWTORTYZTCN-UHFFFAOYSA-N,2,1,0.489,40,78,480.919,4.666,6,0.342,0.72,1.0,0.48343156740456444,0.49842368583373314,0.7540264546638339,0.7375351243917483,0.61835420807347
EOS-2-36427,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(C)nc5-c5ncc(Cl)cn5)n34)cc2)cn1,WLTPDFWKGGWXGO-UHFFFAOYSA-N,2,1,0.31,42,106,480.923,4.068,6,0.371,0.68,1.0,0.14699129600438626,0.26084572681790147,0.2905215543828387,0.3198547049551093,0.2545533205400589
EOS-2-36428,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)n4C)n23)cn1,ONRLPTPLMWCEKU-UHFFFAOYSA-N,2,1,0.315,8,754,480.923,4.068,6,0.347,0.67,0.995,0.12797272291138373,0.2869834144335549,0.16445925570557193,0.2444143650195326,0.2059574395175108
EOS-2-36429,Cc1cncc(-c2cc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)ccc2Cl)n1,NLWMEZFEUBUINT-UHFFFAOYSA-N,2,1,0.303,25,219,480.923,4.068,6,0.371,0.67,1.0,0.16908539510657256,0.3177044068261257,0.35324001096566376,0.44071688026865874,0.3201866732917552
EOS-2-36430,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnnn6C)ccc5Cl)n34)cc2)nn1,UURYHPTUWVYOCT-UHFFFAOYSA-N,2,1,0.325,25,508,480.923,4.068,6,0.371,0.76,1.0,0.21358200260434515,0.3897436776094853,0.36439414707696527,0.44072544719347545,0.3521113186210678
EOS-2-36431,CCn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,UVROPFBGDIUMQR-UHFFFAOYSA-N,2,1,0.361,8,934,480.923,4.242,6,0.36,0.66,1.0,0.05208690288534028,0.21006956342951133,0.14559488725926942,0.27714858474402027,0.17122498457953533
EOS-2-36432,Cc1cccc(-c2nncc(-c3cncc4nnc(-c5cn(C)nc5-c5cccc(Cl)c5)n34)n2)n1,LKZVZRLBLTXPKX-UHFFFAOYSA-N,2,1,0.326,10,77,480.923,4.068,6,0.371,0.63,0.659,0.04722945651428963,0.18276677403879105,0.2179082996367624,0.31381502295935854,0.1904298882873004
EOS-2-36433,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(Cl)nc(-c6cccnn6)n5)n34)cc2)n1C,GKYXPYDWZNVSDH-UHFFFAOYSA-N,2,1,0.31,38,193,480.923,4.068,6,0.347,0.61,1.0,0.22178054965389624,0.21502124597354533,0.2573332876430676,0.28003563840723733,0.24354268041943664
EOS-2-36434,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnn(C)n6)cnc5Cl)n34)cc2)n1,OVOYCIVEJQPSTK-UHFFFAOYSA-N,2,1,0.315,25,532,480.923,4.068,6,0.347,0.71,1.0,0.17443972311698994,0.30222397368240694,0.31614522650949217,0.36488246179151534,0.2894228462751011
EOS-2-36435,Cc1cncc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)cnc2Cl)n1,VAXUITHLRGLDPQ-UHFFFAOYSA-N,2,1,0.312,38,167,480.923,4.068,6,0.371,0.56,1.0,0.15019532588582002,0.2408162565965321,0.28335960523610443,0.3138235898841752,0.24704869440065796
EOS-2-36436,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)n5C)n34)cc2)n1,XYMYHTJKQHBCDY-UHFFFAOYSA-N,2,1,0.322,8,474,480.923,4.068,6,0.347,0.59,0.997,0.12798128983620038,0.2815862517990542,0.22171201425536288,0.30443424028510724,0.23392844904393117
EOS-2-36437,Cc1ccc(-c2nnc3cncc(-c4nnc(-c5cnc(Cl)cn5)n4Cc4ccccc4)n23)cn1,VBJYXNVSLHAREA-UHFFFAOYSA-N,2,1,0.376,8,474,480.923,3.912,6,0.365,0.68,0.999,0.10891131519429785,0.2608542937427181,0.12232711945719964,0.2355989993831814,0.18192293194434928
EOS-2-36438,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ncnn6C)cc5Cl)n34)cc2)n1,XLCDXMWYGKPAJY-UHFFFAOYSA-N,2,1,0.32,42,725,480.923,4.068,6,0.371,0.67,1.0,0.16362826399835514,0.24082482352134876,0.32707662257556025,0.36812932629703243,0.27491475909807417
EOS-2-36439,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5Cl)n34)cc2)cn1,PINOUFKUDGJULH-UHFFFAOYSA-N,2,1,0.317,9,508,480.923,4.068,6,0.371,0.76,1.0,0.15820540058940444,0.30223254060722365,0.3606332670824481,0.4091734630936879,0.307561167843191
EOS-2-36440,Cn1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)c(-c2ccc(F)c(Cl)c2)n1,FCWZJMCMNFTIPV-UHFFFAOYSA-N,2,1,0.341,93,107,480.934,6.318,6,0.296,0.76,1.0,0.19159927352477554,0.3803714618600507,0.9062864094304708,0.939217668425742,0.6043687033102597
EOS-2-36441,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)c(Cl)c2)cn1,NZUCTLKEQPJOJN-UHFFFAOYSA-N,2,1,0.359,93,107,480.934,6.318,6,0.296,0.73,1.0,0.2192104722088959,0.4270098005619903,0.9484185456788431,0.9602494688506613,0.6387220718250977
EOS-2-36442,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)s5)n34)nc2CCO)nc1,XBVVXVPYEQLXRF-UHFFFAOYSA-N,2,1,0.406,46,717,480.941,3.175,5,0.374,0.58,0.957,0.4909447604687821,0.4491381673634432,0.07879000753889384,0.08759680625042834,0.2766174354053869
EOS-2-36443,Fc1ccc(Cl)nc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cscn5)s4)n23)cn1,XBDVZGUFPHWKNV-UHFFFAOYSA-N,2,1,0.273,76,272,480.941,5.017,6,0.329,0.57,0.999,0.004429100130217257,0.06135631553697485,0.4157871290521554,0.5263518607360702,0.25198110136385443
EOS-2-36444,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnc(C)s5)c(Cl)n4)n23)c1,ZTXSPGRBMYSIBL-UHFFFAOYSA-N,2,1,0.427,31,237,480.941,3.692,5,0.322,0.66,1.0,0.46373620725104514,0.5299499691590707,0.13348125556850113,0.12620793639915015,0.31334384209444177
EOS-2-36445,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc(CO)n2)s1,FZXZWYKZTHJZSW-UHFFFAOYSA-N,2,1,0.423,18,578,480.941,3.175,5,0.349,0.56,1.0,0.4498834898224933,0.4491467342882599,0.127552943595367,0.14395860461928586,0.29263544308135153
EOS-2-36446,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)nn2)cc1Cl,DCCXHMQVCMIVSE-UHFFFAOYSA-N,2,1,0.266,86,872,480.941,5.017,6,0.352,0.64,0.922,0.015009252278802001,0.03588684805702145,0.4735196353916798,0.6243060790898499,0.2871804537043383
EOS-2-36447,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)cc5)n34)c2)s1,PCLGUNHEXDTHPE-UHFFFAOYSA-N,2,1,0.338,69,645,480.984,6.606,6,0.266,0.77,1.0,0.1744482900418066,0.312564251936125,0.8298266054417106,0.847328832842163,0.5410419950654513
EOS-2-36448,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4Cl)n23)cc1,RNZWHWIZVZTLSL-UHFFFAOYSA-N,2,1,0.329,69,484,480.984,6.606,6,0.284,0.73,1.0,0.24668460009594956,0.40413611130148724,0.8258001507778767,0.8437564251936125,0.5800943218422314
EOS-2-36449,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2Cl)s1,XLHIWNRZKJESGK-UHFFFAOYSA-N,2,1,0.37,21,107,480.984,6.606,6,0.284,0.77,1.0,0.252116030429717,0.44915530121307656,0.7240593516551299,0.8139520937564252,0.5598206942635872
EOS-2-36450,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccs5)cc4)n23)cc1,IEUIFJGPFJHOTJ-UHFFFAOYSA-N,2,1,0.714,1,951,418.909,5.752,5,0.364,0.84,1.0,0.9701699677883627,0.9714721403604962,0.892664998971969,0.9125145637721883,0.9367054177232541
EOS-2-36451,CCn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)cn1,SNYGGFNALFRKJO-UHFFFAOYSA-N,2,1,0.389,96,46,418.863,5.134,5,0.405,0.74,1.0,0.23290898499074772,0.47111232951819615,0.8571379617572477,0.8904033308203687,0.6128906517716401
EOS-2-36452,Cc1cc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cc4F)n23)ccc1Cl,KBKKBPYEZWABCV-UHFFFAOYSA-N,2,1,0.351,96,46,418.863,4.96,5,0.415,0.78,1.0,0.2246676033171133,0.4755071619491467,0.9318501130834076,0.9349427729422246,0.6417419128229731
EOS-2-36453,Cc1cn(C)nc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,DQLPTWCBRVZSDH-UHFFFAOYSA-N,2,1,0.424,96,46,418.863,4.96,5,0.415,0.73,1.0,0.202599204989377,0.4841597560139812,0.8242324035364266,0.8594767322321979,0.5926170241929957
EOS-2-36454,Cn1cc(-c2cccc(-c3nnc4cncc(Cc5ccc(Cl)c(F)c5)n34)c2)cn1,UQNMTXFHUYFTMF-UHFFFAOYSA-N,2,1,0.396,14,358,418.863,4.575,5,0.428,0.78,1.0,0.3382564594613118,0.39937290110341994,0.9083167706120211,0.9168922623535056,0.6407095983825646
EOS-2-36455,CC(C)n1nnnc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,KDJWRUHOKMNBSX-UHFFFAOYSA-N,2,1,0.329,61,917,418.852,3.136,5,0.437,0.82,0.972,0.1609810842300048,0.22537865807689672,0.08357891851141114,0.12828113220478377,0.1495549482557741
EOS-2-36456,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,FXUJQVWMGQVYSU-UHFFFAOYSA-N,2,1,0.704,43,402,418.848,3.214,5,0.432,0.82,1.0,0.8728754026454664,0.8829501062298677,0.4157956959769721,0.49961448838324996,0.6678089233088891
EOS-2-36457,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)nn1,CVAGUBYQBZYAIK-UHFFFAOYSA-N,2,1,0.561,4,22,418.848,3.214,5,0.432,0.7,1.0,0.42677849359194026,0.5210746350490028,0.4382753066959084,0.4473305462271263,0.4583647453909945
EOS-2-36458,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5cncc(Cl)c5)n34)nc2)n1C,SUAYGOXKZYWIAY-UHFFFAOYSA-N,2,1,0.359,2,412,418.848,3.736,5,0.438,0.73,1.0,0.5497395654855733,0.5210832019738195,0.3981820985539031,0.36173840038379823,0.45768581659927354
EOS-2-36459,COc1ccc(-c2nnc3cncc(-c4cnc(-c5cn(C)nn5)cc4Cl)n23)cc1,BLPCNSHMVSKYGL-UHFFFAOYSA-N,2,1,0.461,50,985,418.848,3.311,5,0.441,0.72,1.0,0.20830477691727778,0.3316513604276609,0.4630936878897951,0.4535587005688438,0.36415213145089437
EOS-2-36460,Cn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,ICUXFAKVTRLSKG-UHFFFAOYSA-N,2,1,0.62,16,256,418.848,3.214,5,0.432,0.67,1.0,0.6910424234116921,0.7402936741827154,0.5118052223973683,0.5466726064012062,0.6224534815982455
EOS-2-36461,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)c1,VOWMYXCXXHAJFL-UHFFFAOYSA-N,2,1,0.566,7,486,418.848,3.214,5,0.432,0.66,1.0,0.44039990405044205,0.5438283873620725,0.41947947364813926,0.4124631622232883,0.45404273182098553
EOS-2-36462,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,XVXSIWPHHPXTTR-UHFFFAOYSA-N,2,1,0.556,16,335,418.848,3.214,5,0.432,0.79,1.0,0.5628897950791584,0.7791189774518539,0.3834469878692345,0.4056610239188541,0.5327791960797753
EOS-2-36463,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccccc4Cl)n23)cc1,ICMUDQDZXVIGNA-UHFFFAOYSA-N,2,1,0.588,43,402,418.848,3.214,5,0.432,0.84,1.0,0.5970546912480296,0.7169573709821122,0.3680607908984991,0.4691762045096292,0.5378122644095675
EOS-2-36464,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1,WDZMSJMKCZUFHI-UHFFFAOYSA-N,2,1,0.543,67,734,418.848,3.214,5,0.404,0.78,1.0,0.6423994243026523,0.5580323487081077,0.36064183400726474,0.38389246795970117,0.48624151874443144
EOS-2-36465,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,VHXCNOVRWGSEOT-UHFFFAOYSA-N,2,1,0.588,36,32,418.848,3.214,5,0.432,0.75,1.0,0.7247275717908299,0.8000908094030567,0.38714789939003497,0.437512850387225,0.5873697827427866
EOS-2-36466,Cn1nccc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,OLZCAAXGMWVWSE-UHFFFAOYSA-N,2,1,0.562,4,335,418.848,3.214,5,0.432,0.76,1.0,0.7185165512987458,0.7956702761976561,0.3124014803646083,0.3548163251319306,0.5453511582482352
EOS-2-36467,Cn1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,ODFHGGMIQRTCQO-UHFFFAOYSA-N,2,1,0.556,4,212,418.848,3.214,5,0.432,0.73,1.0,0.5599427729422246,0.7308186553354807,0.36806935782331573,0.40566959084367077,0.516125094236173
EOS-2-36468,Cn1cnc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)n1,TVXVSZDZOAYMBK-UHFFFAOYSA-N,2,1,0.455,16,55,418.848,3.214,5,0.404,0.75,1.0,0.3889983551504352,0.44482043725584264,0.3417003632376122,0.39353025837845246,0.3922623535055857
EOS-2-36469,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)cn1,OHVBMZPIXMBEPV-UHFFFAOYSA-N,2,1,0.46,55,468,418.848,3.214,5,0.404,0.75,1.0,0.4834401343293811,0.5438369542868892,0.5321688026865876,0.4903108080323487,0.5124391748338016
EOS-2-36470,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1,LIVDRLLBJUXPGB-UHFFFAOYSA-N,2,1,0.537,16,475,418.848,3.214,5,0.404,0.66,1.0,0.6028630662737304,0.5487286683572065,0.5154290315948187,0.5134843396614351,0.5451262764717977
EOS-2-36471,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,OSXWAVOJIYFYMX-UHFFFAOYSA-N,2,1,0.548,4,32,418.848,3.214,5,0.432,0.72,1.0,0.6637910355698718,0.812024535672675,0.2870776506065383,0.3617469673086149,0.531160047289425
EOS-2-36472,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnn1,UYDDJWHSYHELSR-UHFFFAOYSA-N,2,1,0.6,16,659,418.848,3.214,5,0.432,0.71,0.995,0.8457696525255294,0.7877801384415051,0.37206154478788295,0.4220409841683229,0.60691307998081
EOS-2-36473,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)n1,LWDUOWGIKLNBMU-UHFFFAOYSA-N,2,1,0.494,72,208,418.848,3.214,5,0.432,0.72,1.0,0.5059797135220341,0.5769309848536769,0.3944297854842026,0.3871393324652183,0.46611995408128304
EOS-2-36474,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c1,ZHSBSHYDGSEJED-UHFFFAOYSA-N,2,1,0.444,46,211,418.848,3.214,5,0.404,0.7,1.0,0.45230792954561033,0.3466691796312796,0.4975412925776163,0.46918477143444587,0.441425793297238
EOS-2-36475,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)c1,FQGHHGKVBFVVKB-UHFFFAOYSA-N,2,1,0.518,55,823,418.848,3.214,5,0.432,0.68,1.0,0.5184188883558358,0.6439757384689192,0.4119919813583716,0.4026797340826537,0.4942665855664451
EOS-2-36476,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4Cl)n23)cc1,YGIOYGFEECQCEJ-UHFFFAOYSA-N,2,1,0.618,43,402,418.848,3.214,5,0.432,0.82,1.0,0.7063258172846275,0.7403022411075321,0.40158316770612024,0.4903193749571654,0.5846326502638612
EOS-2-36477,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1,OMQSRUGEPQYIEH-UHFFFAOYSA-N,2,1,0.562,16,475,418.848,3.214,5,0.404,0.68,1.0,0.5883164279350285,0.48880302926461516,0.5083013501473511,0.49651326159961623,0.5204835172366528
EOS-2-36478,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,RYUSTVYWUOZQER-UHFFFAOYSA-N,2,1,0.512,16,256,418.848,3.214,5,0.432,0.63,1.0,0.4662548831471455,0.4580306353231444,0.48396271674319785,0.5032982660544171,0.47788662531697623
EOS-2-36479,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)n1,UAXZGBRPGIFCJX-UHFFFAOYSA-N,2,1,0.455,58,954,418.848,3.246,5,0.422,0.65,1.0,0.6606555410869714,0.7956788431224727,0.33081180179562747,0.3681378932218491,0.5388210198067303
EOS-2-36480,Clc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1nn[nH]n1,DUKFKNVHAUPSAB-UHFFFAOYSA-N,2,1,0.747,91,309,418.848,3.246,5,0.451,0.74,1.0,0.8954578164622027,0.9390291960797752,0.44537728736892607,0.530121307655404,0.702496401891577
EOS-2-36481,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cn1,JKBMLCYBWLTDRT-UHFFFAOYSA-N,2,1,0.472,55,786,418.848,3.214,5,0.404,0.74,1.0,0.4933692001918991,0.5116338839010349,0.3981906654787198,0.39067747241450207,0.448467805496539
EOS-2-36482,Cn1cnc(-c2cccnc2-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,FUGUFKAFQCBZEN-UHFFFAOYSA-N,2,1,0.424,55,62,418.848,3.214,5,0.432,0.63,1.0,0.4860273456240148,0.4403142348022754,0.3720701117126996,0.3935388253032691,0.4229876293605648
EOS-2-36483,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,JTLAUVDJCHUCIY-UHFFFAOYSA-N,2,1,0.566,4,32,418.848,3.214,5,0.432,0.75,1.0,0.5084983894181344,0.7308272222602974,0.4453858542937427,0.47526728805428003,0.5399946885066137
EOS-2-36484,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)n1,ISZWHWUKAJVBFM-UHFFFAOYSA-N,2,1,0.506,55,283,418.848,3.214,5,0.404,0.7,1.0,0.5444537728736892,0.5210917688986362,0.4488554588444932,0.4155044205332054,0.482476355287506
EOS-2-36485,Cn1cncc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,CFVVUYSDAPBAFK-UHFFFAOYSA-N,2,1,0.542,4,335,418.848,3.214,5,0.432,0.78,1.0,0.7919179631279556,0.8081951202796245,0.3454355424576794,0.3839010348845179,0.5823624151874444
EOS-2-36486,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnn1,WDHMLFUAQBYFBS-UHFFFAOYSA-N,2,1,0.608,36,659,418.848,3.214,5,0.432,0.73,1.0,0.8161109588102254,0.844904393119046,0.44886402576930984,0.48124700157631417,0.6477815948187238
EOS-2-36487,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1,HHOFLSHOHSCKMK-UHFFFAOYSA-N,2,1,0.556,16,475,418.848,3.214,5,0.432,0.63,1.0,0.5853694057980947,0.5211003358234528,0.5011137002261669,0.5134929065862518,0.5302690871084915
EOS-2-36488,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)c1,RUOGOIVIBLJXQU-UHFFFAOYSA-N,2,1,0.477,55,823,418.848,3.214,5,0.404,0.73,1.0,0.49337776711671577,0.587322664656295,0.3797118086491673,0.37128195462956615,0.45792354876293606
EOS-2-36489,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)n1,PAARKAQJXUISLH-UHFFFAOYSA-N,2,1,0.477,55,283,418.848,3.214,5,0.432,0.7,1.0,0.552249674456857,0.5391337125625385,0.4418477143444589,0.4314474676170242,0.49116964224521964
EOS-2-36490,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)[nH]n4)n23)ccn1,QQKZBOHCQAKVFS-UHFFFAOYSA-N,2,1,0.451,58,578,418.848,3.246,5,0.422,0.64,1.0,0.5292646151737372,0.46259680625042837,0.3680779247481324,0.4186399150161058,0.444644815297101
EOS-2-36492,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)n[nH]1,FXCAUZOLPSBQMC-UHFFFAOYSA-N,2,1,0.451,55,283,418.848,3.512,5,0.465,0.72,0.999,0.6512661914879035,0.6831522856555411,0.46664039476389557,0.45984682338427796,0.5652264238229046
EOS-2-36493,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)c1,MFRGNFUJVCKPOX-UHFFFAOYSA-N,2,1,0.505,65,981,418.848,3.246,5,0.451,0.71,1.0,0.739685422520732,0.8160252895620588,0.4940288534027825,0.519935234048386,0.6424186998834898
EOS-2-36494,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)cn1,HDZNOGJXVRHLGG-UHFFFAOYSA-N,2,1,0.49,65,76,418.848,3.246,5,0.422,0.69,1.0,0.7093156740456446,0.8160338564868754,0.497549859502433,0.5033068329792337,0.6315515557535467
EOS-2-36495,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,WRKCQXIEFKLKRE-UHFFFAOYSA-N,2,1,0.534,47,561,418.848,3.246,5,0.422,0.68,1.0,0.8787951476937839,0.8160424234116921,0.3644027140017819,0.3935473922280858,0.6131969193338359
EOS-2-36496,Cn1nc(-c2ccccc2)nc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,GKKLIZMLPVXHSA-UHFFFAOYSA-N,2,1,0.465,4,700,418.848,3.214,5,0.404,0.75,1.0,0.4834487012541978,0.6542046467000205,0.13662531697621821,0.21257110547597835,0.37171244260160374
EOS-2-36497,Cn1cc(-c2c[nH]c(=N)c(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)cn1,BKHNDUPWGZFNCI-UHFFFAOYSA-N,2,1,0.535,13,374,418.848,3.445,5,0.464,0.68,1.0,0.19996059214584333,0.2765317661572202,0.6044308135151806,0.6030515386196971,0.4209936776094853
EOS-2-36498,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cc[nH]n5)c4)n23)cn1,YBSFFLXARIBGMR-UHFFFAOYSA-N,2,1,0.473,87,35,418.848,3.246,5,0.422,0.6,1.0,0.6728548420259064,0.7124683023781784,0.4839712836680145,0.4996230553080666,0.5922293708450415
EOS-2-36499,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)n1,NZFMOQZTBUEPLJ-UHFFFAOYSA-N,2,1,0.471,2,422,418.848,3.214,5,0.404,0.7,1.0,0.44494894112809263,0.43167020766225755,0.5118137893221849,0.4752758549790967,0.46592719827290796
EOS-2-36500,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4)n23)cc1,JOGYYWWGZQDXMN-UHFFFAOYSA-N,2,1,0.746,43,402,418.848,3.214,5,0.432,0.83,1.0,0.7635271742855184,0.7536152422726338,0.4158042629017888,0.4965218285244329,0.6073671269960935
EOS-2-36501,Cc1cc(Oc2cncc3nnc(-c4cc(-c5ncccn5)n(C)n4)n23)ccc1Cl,YBOQDXZPRRFTQJ-UHFFFAOYSA-N,2,1,0.452,95,956,418.848,3.736,5,0.438,0.78,1.0,0.34539270783359605,0.3416061270646289,0.29410252895620587,0.3421030087039956,0.3308010931396066
EOS-2-36502,Cn1nc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,WREJPRBSEJEDPW-UHFFFAOYSA-N,2,1,0.584,4,32,418.848,3.214,5,0.432,0.79,1.0,0.6307826742512508,0.7920978685491056,0.17063600849838942,0.27116887122198613,0.46617135563018297
EOS-2-36503,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)n1C,XKIZKCYVWHPJLE-UHFFFAOYSA-N,2,1,0.349,55,412,418.848,3.736,5,0.41,0.68,1.0,0.5211774381468028,0.6247601261051333,0.40521554382838737,0.35482489205674733,0.47649450003426774
EOS-2-36504,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)n[nH]1,MDFSNULGRAJLQL-UHFFFAOYSA-N,2,1,0.494,16,256,418.848,3.512,5,0.465,0.72,1.0,0.6280241244602838,0.6059899938318142,0.4120005482831883,0.42204955109313963,0.5170160544171065
EOS-2-36505,Cn1cncc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,QZIXHKXDGCNYRF-UHFFFAOYSA-N,2,1,0.556,7,212,418.848,3.214,5,0.432,0.75,1.0,0.6939380439997258,0.7791275443766705,0.4086937153039545,0.44391234322527584,0.5814179117264067
EOS-2-36506,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4ncn(C)n4)cn3)n12,YETRUTLMVLIAQW-UHFFFAOYSA-N,2,1,0.369,50,985,418.848,3.311,5,0.441,0.68,1.0,0.29243197861695563,0.4316787745870742,0.3680864916729491,0.36175553423343154,0.36348819477760264
EOS-2-36507,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)nc1,XOOFIGQQDUJSLA-UHFFFAOYSA-N,2,1,0.557,15,889,418.848,3.246,5,0.451,0.64,1.0,0.8457782194503461,0.8120331025974916,0.4561202110890275,0.49032794188198203,0.6510648687547118
EOS-2-36508,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)n1,FLAMHUNOPDBDJH-UHFFFAOYSA-N,2,1,0.443,2,422,418.848,3.214,5,0.404,0.67,1.0,0.4404084709752587,0.47551572887396343,0.5220426975532863,0.48729525049688166,0.4813155369748475
EOS-2-36509,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2)n[nH]1,DWCUATAQPRUTLM-UHFFFAOYSA-N,2,1,0.457,4,22,418.848,3.512,5,0.465,0.71,1.0,0.6169299568226989,0.6390583236241518,0.44185628126927556,0.4220581180179563,0.5299756699335206
EOS-2-36510,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,YEJGSVOXNXQEHF-UHFFFAOYSA-N,2,1,0.628,16,32,418.848,3.214,5,0.432,0.76,1.0,0.8004506202453567,0.7921064354739222,0.3606504009320814,0.40918203001850456,0.5905973716674663
EOS-2-36511,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,ANOJIWKOKSHVSX-UHFFFAOYSA-N,2,1,0.494,16,55,418.848,3.214,5,0.404,0.65,1.0,0.5034953053252005,0.48012473442533066,0.4975584264272497,0.49963162223288327,0.495202522102666
EOS-2-36512,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)n1,WYCFNHUDLRMYLR-UHFFFAOYSA-N,2,1,0.46,2,422,418.848,3.214,5,0.432,0.67,1.0,0.44989205674731,0.462605373175245,0.5083099170721678,0.4903365088067987,0.4777859639503803
EOS-2-36513,Cn1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1ccncc1,QASYAQYIEPFSMP-UHFFFAOYSA-N,2,1,0.42,95,565,418.848,3.214,5,0.404,0.76,1.0,0.3591426221643479,0.34161469398944555,0.4194880405729559,0.4375214173120417,0.38944169350969776
EOS-2-36514,Cn1ncnc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)nc4)c3)n12,PXSNWLRUSXDYOG-UHFFFAOYSA-N,2,1,0.455,16,55,418.848,3.214,5,0.404,0.74,1.0,0.4737852100609965,0.4667945994105956,0.32340997875402644,0.3906860393393188,0.41366895689123434
EOS-2-36515,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)c1,AGHBUDMTOFOYOL-UHFFFAOYSA-N,2,1,0.46,55,823,418.848,3.214,5,0.404,0.68,1.0,0.6667980261805222,0.6587451168528545,0.4768264683709136,0.44733911315194297,0.5624271811390583
EOS-2-36516,Cn1c(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cnc1Cl,MHJWHSAUASHOJU-UHFFFAOYSA-N,2,1,0.5,24,786,418.848,3.214,5,0.432,0.66,1.0,0.4909533273935988,0.6012439174833801,0.29788054280035636,0.30444280720992395,0.4236301487218148
EOS-2-36517,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,GYCORQUOABJIQY-UHFFFAOYSA-N,2,1,0.453,2,184,418.848,3.214,5,0.404,0.64,1.0,0.5184274552806525,0.49356623946268247,0.45946987869234457,0.4439209101500925,0.478846120896443
EOS-2-36518,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)n1,FEKAQOOZQJTSRP-UHFFFAOYSA-N,2,1,0.466,46,128,418.848,3.214,5,0.432,0.65,1.0,0.3567610170653142,0.5211089027482695,0.3906689054896854,0.38390960180933453,0.4131121067781509
EOS-2-36519,COc1cc(-c2nnc3cncc(-c4cnc(Cl)nc4)n23)ccc1-c1ccnn1C,BQEYOTCXURCMKF-UHFFFAOYSA-N,2,1,0.375,50,478,418.848,3.311,5,0.413,0.72,1.0,0.2570848468233843,0.2923377424439723,0.5154375985196354,0.42502227400452336,0.37247061544787885
EOS-2-36520,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)n1,AQBLWJKLGJZGBK-UHFFFAOYSA-N,2,1,0.455,87,954,418.848,3.246,5,0.422,0.66,1.0,0.5913062846960455,0.7748440819683367,0.39819923240353644,0.43145603454184084,0.5489514084024398
EOS-2-36521,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)c1,HIPWFKOVBLVPJU-UHFFFAOYSA-N,2,1,0.484,87,304,418.848,3.246,5,0.451,0.7,0.999,0.6483191693509698,0.8000993763278733,0.43828387362072513,0.47528442190391335,0.5904967103008704
EOS-2-36522,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)c1,AVOGPJJHHCVINM-UHFFFAOYSA-N,2,1,0.477,55,823,418.848,3.214,5,0.432,0.68,1.0,0.7063343842094442,0.6439843053937359,0.46310225481461176,0.45028613528887673,0.5659267699266671
EOS-2-36523,Cn1cnc(-c2ccnnc2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,GGCSQYHKUFYIQX-UHFFFAOYSA-N,2,1,0.549,36,32,418.848,3.214,5,0.432,0.64,1.0,0.582319580563361,0.7403108080323487,0.39067747241450207,0.4439294770749092,0.5393093345212803
EOS-2-36524,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)c1,JHKIFKLRJKBHEZ-UHFFFAOYSA-N,2,1,0.506,55,823,418.848,3.214,5,0.404,0.75,1.0,0.6700363237612227,0.620459529847166,0.47018710163799604,0.4347200328969913,0.548850747035844
EOS-2-36525,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nn1,AGNJEKXMNVHFSM-UHFFFAOYSA-N,2,1,0.541,4,32,418.848,3.214,5,0.432,0.71,1.0,0.47379377698581315,0.7214721403604962,0.34544410938249603,0.4026883010074704,0.48584958193406896
EOS-2-36526,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)cn1,OQJXVRIXNYOBOC-UHFFFAOYSA-N,2,1,0.518,92,860,418.848,3.214,5,0.432,0.73,1.0,0.37289253649509974,0.5211174696730861,0.4666489616887122,0.44393804399972586,0.451149252964156
EOS-2-36527,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccccc3Cl)n12,XMAVWTHEMYVMPE-UHFFFAOYSA-N,2,1,0.512,4,446,418.848,3.214,5,0.432,0.72,0.999,0.37988314714550064,0.5670019189911589,0.0978000137070797,0.19217325748749228,0.3092145843328079
EOS-2-36528,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,WXDLWOQCMHLFTR-UHFFFAOYSA-N,2,1,0.556,4,32,418.848,3.214,5,0.432,0.72,0.998,0.6395723391131519,0.8120416695223083,0.1223356863820163,0.2180882050579124,0.4480094750188472
EOS-2-36529,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,RHHZQRFUIXEZCD-UHFFFAOYSA-N,2,1,0.518,72,208,418.848,3.214,5,0.432,0.69,1.0,0.39113151942978547,0.4491638681378932,0.4453944212185594,0.4407340141182921,0.43160595572613253
EOS-2-36530,Cn1cnnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,SKFOQQWWYFKKEQ-UHFFFAOYSA-N,2,1,0.615,16,256,418.848,3.214,5,0.432,0.72,1.0,0.8215937906928928,0.7835823452813379,0.4344972928517579,0.4845195668562813,0.6310482489205674
EOS-2-36531,CCc1nc(Cl)ncc1-c1nnc2cncc(-c3ccc(-c4cnc(C)o4)nc3)n12,KNQBOIXKWWFKJH-UHFFFAOYSA-N,2,1,0.321,82,514,418.848,3.823,5,0.405,0.71,0.987,0.259954766636968,0.4041446782263039,0.14872181481735317,0.1647333972997053,0.24438866424508257
EOS-2-36532,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2)n1,GOGPRLWWWAFZCV-UHFFFAOYSA-N,2,1,0.427,46,62,418.848,3.214,5,0.432,0.78,1.0,0.4612175313549448,0.43626207936399153,0.44540298814337603,0.43472859982180795,0.4444027996710301
EOS-2-36533,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,PBRUFUUPZFCLDB-UHFFFAOYSA-N,2,1,0.58,47,669,418.848,3.246,5,0.422,0.66,1.0,0.9301709958193407,0.8664073744088822,0.4631108217394284,0.4659978754026455,0.6814217668425742
EOS-2-36534,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,LPYAEKXOYDFJPG-UHFFFAOYSA-N,2,1,0.494,51,19,418.848,3.214,5,0.432,0.7,1.0,0.6969364676855596,0.5625471180864917,0.3906860393393188,0.38714789939003497,0.5093293811253512
EOS-2-36535,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,QIBOUAIJCNALEZ-UHFFFAOYSA-N,2,1,0.465,2,36,418.848,3.214,5,0.432,0.79,1.0,0.4404170379000754,0.44032280172709204,0.5818655335480776,0.5566188061133576,0.5048060448221506
EOS-2-36536,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)c(Cl)c2)cn1,FVIWMLKUUSQLKZ-UHFFFAOYSA-N,2,1,0.488,92,815,418.848,3.214,5,0.432,0.77,1.0,0.43824960592145845,0.5920259063806456,0.5220512644781029,0.5064937290110342,0.5147051264478102
EOS-2-36537,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,LXHWPMRBQVEXIT-UHFFFAOYSA-N,2,1,0.513,51,19,418.848,3.214,5,0.432,0.69,1.0,0.7748440819683367,0.6059985607566308,0.3051281611952574,0.31069666232609144,0.49916686656157905
EOS-2-36538,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,IOUKHTALVJRDQH-UHFFFAOYSA-N,2,1,0.542,4,32,418.848,3.214,5,0.432,0.69,1.0,0.7396939894455486,0.8238211911452266,0.4526934411623604,0.46600644232746213,0.6205537660201494
EOS-2-36539,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,BAAAMKSKZJEPGQ-UHFFFAOYSA-N,2,1,0.59,36,734,418.848,3.214,5,0.432,0.76,1.0,0.6307912411760674,0.6012524844081968,0.39069460626413544,0.41551298745802207,0.5095628298266054
EOS-2-36540,Cn1ccnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,PGGLXAUOQGURAL-UHFFFAOYSA-N,2,1,0.556,7,156,418.848,3.214,5,0.432,0.74,1.0,0.7487749297512165,0.8044256733602906,0.2978891097251731,0.354833458981564,0.551480792954561
EOS-2-36541,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2)n1,XXWYHFAYEUBDPL-UHFFFAOYSA-N,2,1,0.544,16,320,418.848,3.214,5,0.404,0.72,1.0,0.6606641080117881,0.62476869302995,0.4488725926941265,0.42503084092934,0.5398340586663011
EOS-2-36542,Cn1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)n1,QEMGOKMKJIDSFS-UHFFFAOYSA-N,2,1,0.407,46,62,418.848,3.214,5,0.432,0.66,1.0,0.3955777534096361,0.35635837159893086,0.4488811596189432,0.44074258104310876,0.41038996641765474
EOS-2-36543,Cn1cncc1-c1ncncc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,MYIKFIKYBLJWGY-UHFFFAOYSA-N,2,1,0.6,16,32,418.848,3.214,5,0.432,0.66,1.0,0.8436364882461792,0.7956874100472894,0.4305479405112741,0.4660150092522788,0.6339717120142554
EOS-2-36544,Cn1ncnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,ZWKVPIHSIHSAGZ-UHFFFAOYSA-N,2,1,0.608,16,256,418.848,3.214,5,0.432,0.78,1.0,0.702984716606127,0.7491947090672332,0.4235144952367898,0.46602357617709544,0.5854293742718113
EOS-2-36545,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccccc4Cl)n23)c1,WPAVMAYQBZPNIO-UHFFFAOYSA-N,2,1,0.549,43,402,418.848,3.214,5,0.432,0.81,1.0,0.5392279487355219,0.6587536837776712,0.34545267630731274,0.45661709272839424,0.500012850387225
EOS-2-36546,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,UHUNSCKTLMBZCU-UHFFFAOYSA-N,2,1,0.556,16,399,418.848,3.214,5,0.432,0.81,1.0,0.5085069563429512,0.7578901377561511,0.44541155506819274,0.4691933383592626,0.5452504968816394
EOS-2-36547,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)cn1,PNLUESWXYOUVCO-UHFFFAOYSA-N,2,1,0.477,92,860,418.848,3.214,5,0.404,0.75,1.0,0.34291686656157905,0.48013330135014737,0.43055650743609075,0.412471729148105,0.41651960112398057
EOS-2-36548,Cn1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,SKZXRECXWPUEQJ-UHFFFAOYSA-N,2,1,0.549,4,32,418.848,3.214,5,0.432,0.68,1.0,0.5766825440339935,0.7877887053663217,0.29789767664998973,0.3389675142210952,0.50033411006785
EOS-2-36549,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)n1,NGCJRQDDADJKNX-UHFFFAOYSA-N,2,1,0.477,4,617,418.848,3.214,5,0.404,0.69,1.0,0.39981838119388663,0.4935748063874991,0.35701802480981426,0.3517579329723802,0.40054228634089506
EOS-2-36550,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ncn2)cn1,VDGMBNPOBIYFRV-UHFFFAOYSA-N,2,1,0.372,44,971,418.848,3.91,5,0.427,0.7,1.0,0.28686347748612157,0.33165992735247757,0.3644112809265986,0.4056781577684874,0.34715321088342127
EOS-2-36551,Clc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cc[nH]c5)c4)n23)n1,MNJZBARCUGZXAG-UHFFFAOYSA-N,2,1,0.424,20,279,418.848,3.246,5,0.451,0.67,1.0,0.5853779727229114,0.6159276266191488,0.37207867863751626,0.4407511479679254,0.5035338564868754
EOS-2-36552,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1,DEKIZMANALEAOX-UHFFFAOYSA-N,2,1,0.518,4,475,418.848,3.214,5,0.404,0.69,1.0,0.4612260982797615,0.4888115961894318,0.41581282982660545,0.43473716674662466,0.45014692276060586
EOS-2-36553,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1,RBWZRBXTILXQQP-UHFFFAOYSA-N,2,1,0.573,4,22,418.848,3.214,5,0.432,0.62,1.0,0.44042560482489207,0.5116424508258516,0.45612877801384416,0.47818004249194707,0.47159421903913373
EOS-2-36554,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccccc5Cl)n34)c2)n1,LELFJJNYCLUHNQ-UHFFFAOYSA-N,2,1,0.542,43,258,418.848,3.214,5,0.432,0.73,1.0,0.5572698923994243,0.6247772599547666,0.3495390994448633,0.43146460146665755,0.49076271331642796
EOS-2-36555,Cn1nccc1-c1cc(COc2cncc3nnc(-c4cncc(Cl)c4)n23)ccn1,IXMNXKUBKBAXRI-UHFFFAOYSA-N,2,1,0.466,55,283,418.848,3.214,5,0.432,0.7,1.0,0.4860359125488315,0.4984322527585498,0.44888972654375986,0.4407597148927421,0.4685294016859708
EOS-2-36556,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nc2)cn1,JZLSCBIXKKQEHW-UHFFFAOYSA-N,2,1,0.438,55,959,418.848,3.214,5,0.404,0.8,1.0,0.44495750805290935,0.4135939962990885,0.5255123021040368,0.4812555685011308,0.46632984373929137
EOS-2-36557,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)ccn1,XZRQQOHQQQVRCQ-UHFFFAOYSA-N,2,1,0.5,58,578,418.848,3.246,5,0.422,0.66,1.0,0.7890737440888219,0.8311030772393941,0.4418648481940923,0.4566256596532109,0.6296668322938798
EOS-2-36558,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,FUDJVXCMYGJIOU-UHFFFAOYSA-N,2,1,0.667,43,258,418.848,3.214,5,0.432,0.78,1.0,0.7947707490919059,0.8545164827633472,0.39443835240901925,0.46603214310191216,0.6274394318415462
EOS-2-36559,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)n1,AOJNTCVVUHCHRF-UHFFFAOYSA-N,2,1,0.46,55,283,418.848,3.214,5,0.404,0.7,1.0,0.5367349736138716,0.5625556850113084,0.4561373449386608,0.42834624083339046,0.4959435610993078
EOS-2-36560,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccncc1,SHZHCHPQIOISJI-UHFFFAOYSA-N,2,1,0.432,95,694,418.848,3.214,5,0.432,0.73,1.0,0.3660304297169488,0.32710232335001027,0.405224110753204,0.43752998423685835,0.38397171201425534
EOS-2-36561,Cc1ccccc1-n1nnnc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,WACCYKXMRPSKEG-UHFFFAOYSA-N,2,1,0.566,43,612,418.848,3.308,5,0.432,0.74,1.0,0.6139229662120486,0.8197776026317593,0.21445582893564527,0.35484202590638064,0.5007496059214585
EOS-2-36562,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cn1,KBUCXHGUDDPZTB-UHFFFAOYSA-N,2,1,0.483,46,711,418.848,3.214,5,0.432,0.62,1.0,0.2494431498869166,0.3316684942772942,0.47352820231649645,0.46920190528407923,0.3809604379411966
EOS-2-36563,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)n1,MSHLUIFCBBCTDX-UHFFFAOYSA-N,2,1,0.477,2,875,418.848,3.214,5,0.404,0.68,1.0,0.3258686861764101,0.41821156877527244,0.42352306216160646,0.41248029607292164,0.39502090329655265
EOS-2-36564,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)n1,AMAXOORWLXXXKN-UHFFFAOYSA-N,2,1,0.518,2,422,418.848,3.214,5,0.432,0.66,1.0,0.3333990130902611,0.4580392022479611,0.45614591186347747,0.4439466109245425,0.4228826845315605
EOS-2-36565,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,RMUVCEONZHGORJ-UHFFFAOYSA-N,2,1,0.6,51,969,418.848,3.214,5,0.432,0.81,1.0,0.6700448906860393,0.8044342402851072,0.45270200808717703,0.45985539030909467,0.5967591323418545
EOS-2-36566,Cn1cc(-c2cnc(COc3cncc4nnc(-c5cccc(Cl)c5)n34)nc2)cn1,BRWJWKJQIKELOB-UHFFFAOYSA-N,2,1,0.549,51,969,418.848,3.214,5,0.432,0.77,1.0,0.44737338085120965,0.582293879788911,0.4305650743609074,0.4439551778493592,0.47604687821259684
EOS-2-36567,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,DCNLYUGDFKIDOH-UHFFFAOYSA-N,2,1,0.416,92,711,418.848,3.214,5,0.432,0.7,1.0,0.4172606401206223,0.3514752244534302,0.5220598314029196,0.4996401891577,0.44760897128366806
EOS-2-36568,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)c1,BYCMBARVEKNHPV-UHFFFAOYSA-N,2,1,0.518,55,99,418.848,3.214,5,0.404,0.71,1.0,0.6307998081008841,0.5162857240764855,0.47683503529573024,0.4439637447741759,0.516971078061819
EOS-2-36569,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cn1,XOJIHYBEEZGVHC-UHFFFAOYSA-N,2,1,0.562,36,534,418.848,3.214,5,0.432,0.78,1.0,0.5469210472208896,0.7791361113014872,0.4382924405455418,0.4629737509423617,0.5568308375025701
EOS-2-36570,Cn1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)nn1,CARHKXKCBZUUHU-UHFFFAOYSA-N,2,1,0.549,36,22,418.848,3.214,5,0.404,0.73,1.0,0.36142142416558154,0.480141868274964,0.41200911520800493,0.4598639572339113,0.4283590912206155
EOS-2-36571,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,XUJXKZPXVRJCJA-UHFFFAOYSA-N,2,1,0.562,4,212,418.848,3.214,5,0.432,0.63,1.0,0.6057072853128641,0.7403193749571654,0.37208724556233297,0.4155215543828387,0.5334088650538003
EOS-2-36572,Clc1c[nH]c(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)n1,RIHHGKPPLJNLEL-UHFFFAOYSA-N,2,1,0.477,18,840,418.848,3.246,5,0.451,0.61,1.0,0.5942276060585292,0.5487372352820231,0.3907031731889521,0.41553012130765543,0.48729953395929
EOS-2-36573,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)n[nH]1,UFGMZQQOWAWKRA-UHFFFAOYSA-N,2,1,0.568,16,320,418.848,3.512,5,0.435,0.76,1.0,0.8110821739428414,0.6587622507024878,0.44187341511890893,0.41864848194092247,0.5825915804262902
EOS-2-36574,Cn1nccc1-c1cncc(-c2nnc3cncc(OCc4cccnc4Cl)n23)c1,MNOKPEBOAMMQTP-UHFFFAOYSA-N,2,1,0.46,2,422,418.848,3.214,5,0.404,0.64,1.0,0.4220409841683229,0.4362706462888082,0.49403742032759923,0.4781886094167638,0.45763441505037356
EOS-2-36575,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)n1,LQWCVKIBAUTQBG-UHFFFAOYSA-N,2,1,0.57,16,320,418.848,3.214,5,0.404,0.74,1.0,0.672863408950723,0.5715766568432595,0.43830100747035844,0.41248886299773835,0.5238074840655198
EOS-2-36576,Cn1nc(-c2cnccn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,NEZHJJKGAZYOJJ-UHFFFAOYSA-N,2,1,0.562,4,32,418.848,3.214,5,0.432,0.75,1.0,0.5913148516208622,0.7619851278185182,0.3532485778904804,0.3996213419231033,0.526542474813241
EOS-2-36577,Cn1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,NEQNAWAMMARCTA-UHFFFAOYSA-N,2,1,0.608,16,256,418.848,3.214,5,0.432,0.76,1.0,0.7975892673565896,0.80010794325269,0.49756699335206633,0.5135014735110685,0.6521914193681035
EOS-2-36578,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,IYXMTQVIJYTUPP-UHFFFAOYSA-N,2,1,0.391,46,565,418.848,3.214,5,0.404,0.65,1.0,0.442850044548009,0.38481769583990133,0.5083184839969844,0.4812641354259475,0.45431258995271057
EOS-2-36579,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccccc5Cl)n34)nc2)n1,CYUCPCMICAZCAN-UHFFFAOYSA-N,2,1,0.524,51,946,418.848,3.214,5,0.432,0.76,1.0,0.4590158316770612,0.6159361935439654,0.3308203687204441,0.36814646014666574,0.44347971352203414
EOS-2-36580,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccccc3Cl)n12,FVBUSAWAPPMFDR-UHFFFAOYSA-N,2,1,0.529,72,820,418.848,3.214,5,0.432,0.68,1.0,0.3911400863546022,0.5715852237680762,0.2941110958810225,0.3681550270714824,0.40624785826879584
EOS-2-36581,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nc2)cn1,WTSMEIOJRHFSTL-UHFFFAOYSA-N,2,1,0.477,92,119,418.848,3.214,5,0.432,0.78,1.0,0.28130354328010415,0.41360256322390515,0.47353676924131316,0.4629823178671784,0.4078562984031252
EOS-2-36582,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2)cn1,BGASQSUFDCEEFQ-UHFFFAOYSA-N,2,1,0.427,92,62,418.848,3.214,5,0.432,0.78,1.0,0.46374477417586185,0.42701836748680694,0.5190271400178192,0.49653039544924954,0.47658016928243435
EOS-2-36583,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)n1,KSVUOIOAFVYYGF-UHFFFAOYSA-N,2,1,0.577,51,946,418.848,3.214,5,0.432,0.74,1.0,0.685037009115208,0.8120502364471249,0.37589952710575014,0.39962990884791993,0.5681541703790007
EOS-2-36584,Cn1cnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)n1,HAUUGXBIDXUPGI-UHFFFAOYSA-N,2,1,0.437,46,503,418.848,3.214,5,0.432,0.79,1.0,0.3258772531012268,0.4448290041806593,0.2979062435748064,0.3871564663148516,0.36394224179288603
EOS-2-36585,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnn(-c4ccccc4)n3)n12,YXCYYUXQDWJZLT-UHFFFAOYSA-N,2,1,0.483,43,288,418.848,3.308,5,0.432,0.71,1.0,0.3454012747584127,0.5670104859159756,0.19023713247892537,0.2918237269549722,0.34861815502707144
EOS-2-36586,COc1cc(-c2nnc3cncc(-c4nnnn4C)n23)ccc1-c1ccc(Cl)cc1,BCXWSTOEHYZMQS-UHFFFAOYSA-N,2,1,0.37,61,917,418.848,3.311,5,0.441,0.79,1.0,0.2329175519155644,0.40415324515112055,0.3606589678568981,0.4660407100267288,0.36594261873757794
EOS-2-36587,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)[nH]n4)n23)n1,ZSWGITPUZPEMRY-UHFFFAOYSA-N,2,1,0.439,58,954,418.848,3.246,5,0.422,0.62,0.879,0.47380234391062986,0.43627921321362484,0.26452093756425193,0.332627989856761,0.3768076211363169
EOS-2-36588,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,MKKJLNCXTHLINB-UHFFFAOYSA-N,2,1,0.667,43,402,418.848,3.214,5,0.432,0.82,1.0,0.7864179973956549,0.8721900486601329,0.39071174011376875,0.4873038174216983,0.6341559008978137
EOS-2-36589,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cn1,DYCRURFAGGOXNO-UHFFFAOYSA-N,2,1,0.554,2,36,418.848,3.214,5,0.432,0.74,1.0,0.28131211020492086,0.4136111301487218,0.535535604139538,0.5230878623809198,0.43838667671852516
EOS-2-36590,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,QDRJWOODZLVAIV-UHFFFAOYSA-N,2,1,0.561,4,22,418.848,3.214,5,0.432,0.6,1.0,0.4684394489753958,0.5299585360838873,0.4488982934685765,0.46604927695154547,0.47833638886985125
EOS-2-36591,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,QSCNLSBPOQSUOS-UHFFFAOYSA-N,2,1,0.542,2,36,418.848,3.214,5,0.432,0.73,1.0,0.33102597491604413,0.4270269344116236,0.5289819066547872,0.5065022959358508,0.4483842779795765
EOS-2-36592,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)nn1,LQAYOJBSNGJILW-UHFFFAOYSA-N,2,1,0.58,4,32,418.848,3.214,5,0.432,0.74,1.0,0.4637533411006785,0.716965937906929,0.4454201219930094,0.472277431293263,0.52460420807347
EOS-2-36593,Cn1ncnc1COc1cncc2nnc(-c3ccc(-c4cccc(Cl)c4)nc3)n12,IWCULBVVJZYUDT-UHFFFAOYSA-N,2,1,0.438,4,936,418.848,3.214,5,0.432,0.75,1.0,0.47875402645466386,0.5487458022068399,0.27603488451785346,0.3681635939962991,0.4179245767939141
EOS-2-36594,COc1nc(-c2cnnn2C)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,PGDYHJMEWHMHKO-UHFFFAOYSA-N,2,1,0.402,61,336,418.848,3.311,5,0.441,0.69,1.0,0.38456925502021794,0.5580409156329244,0.3308289356452608,0.36176410115824825,0.4088008018641628
EOS-2-36595,Cn1nccc1-c1ccnc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,UHGBVJPPRDLDSE-UHFFFAOYSA-N,2,1,0.411,46,565,418.848,3.214,5,0.404,0.67,1.0,0.40824823521348774,0.3563669385237475,0.4805530806661641,0.45663422657802755,0.42545062024535674
EOS-2-36596,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnoc5)cc4)n23)ccn1,MEDOVTFMJJGYKV-UHFFFAOYSA-N,2,1,0.61,35,352,418.844,4.116,5,0.383,0.73,1.0,0.8110907408676582,0.8160509903365089,0.7059574395175108,0.7107377835652114,0.7609592385717222
EOS-2-36597,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)cn1,IRJGMGMRVPNUNL-UHFFFAOYSA-N,2,1,0.588,11,201,418.844,4.116,5,0.383,0.73,1.0,0.9335035295730245,0.8829586731546843,0.6044393804399972,0.5881622232883285,0.7522659516140086
EOS-2-36598,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2)o1,BPBAAZOHSOUYPS-UHFFFAOYSA-N,2,1,0.53,97,91,418.844,4.382,5,0.391,0.77,1.0,0.8662017682132822,0.8044428072099239,0.6983585772051264,0.6418768418888355,0.752719998629292
EOS-2-36599,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)ccn1,IKMFBLIFYPKOKJ-UHFFFAOYSA-N,2,1,0.588,11,201,418.844,4.116,5,0.383,0.7,1.0,0.9182715372489891,0.8803971626345007,0.6576656843259544,0.6561750394078542,0.7781273559043246
EOS-2-36600,Clc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ncco1,YKVNGJAOFQCBCY-UHFFFAOYSA-N,2,1,0.633,35,393,418.844,4.116,5,0.409,0.71,1.0,0.8315999588787609,0.8238297580700432,0.627912754437667,0.630003084092934,0.7283363888698513
EOS-2-36601,Clc1ccccc1CCOc1cncc2nnc(-c3cncc(-c4ncco4)c3)n12,LTVFMXPIUHMZKE-UHFFFAOYSA-N,2,1,0.684,84,73,418.844,4.116,5,0.409,0.74,1.0,0.6820557192790077,0.6159447604687821,0.6012353505585635,0.6330700431773011,0.6330764683709136
EOS-2-36602,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5O)n34)cc2)cn1,NSNRJAYTENRBDX-UHFFFAOYSA-N,2,1,0.519,13,15,418.844,4.343,5,0.466,0.74,1.0,0.4809899938318141,0.6204680967719828,0.792294907819889,0.7780995133986705,0.6679631279555891
EOS-2-36603,Cc1ocnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,NKGYRELIUHYZBJ-UHFFFAOYSA-N,2,1,0.645,97,805,418.844,4.382,5,0.418,0.72,1.0,0.9558289356452607,0.9075029127544376,0.5758087177026935,0.5756459461311767,0.7536966280583921
EOS-2-36604,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)o1,HFVZRNFROVFZHD-UHFFFAOYSA-N,2,1,0.517,15,215,418.844,4.116,5,0.409,0.69,1.0,0.7748526488931533,0.7449112466588993,0.6604499348913714,0.6706702761976561,0.71272102666027
EOS-2-36605,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)o1,MCZGKBIGUKFUDQ-UHFFFAOYSA-N,2,1,0.636,97,91,418.844,4.382,5,0.391,0.74,1.0,0.8639915016105819,0.7355647316839148,0.690117195531492,0.6271417312041669,0.7292037900075389
EOS-2-36606,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5nnco5)c4)n23)cc1,VOHRIYQKNDZNLC-UHFFFAOYSA-N,2,1,0.72,91,660,418.844,4.116,5,0.409,0.79,1.0,0.8807655404016175,0.9054639846480708,0.6401977246247686,0.6676889863614557,0.7735290590089782
EOS-2-36607,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccoc5)n34)c2)nn1,XJXUVXXZAAITPS-UHFFFAOYSA-N,2,1,0.543,72,628,418.844,4.116,5,0.409,0.75,1.0,0.7720855321773696,0.703010417380577,0.5787471729148105,0.5973631005414296,0.6628015557535466
EOS-2-36608,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)o1,RQWMNKANEJXYCA-UHFFFAOYSA-N,2,1,0.649,43,909,418.844,4.382,5,0.418,0.83,1.0,0.9080768967171544,0.9346257967240079,0.594570283051196,0.6156706188746488,0.7632358988417518
EOS-2-36609,Cc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)c1,DVMGTWRQJMIQOT-UHFFFAOYSA-N,2,1,0.58,43,210,418.844,4.382,5,0.418,0.8,1.0,0.7779881433760537,0.8160595572613255,0.4666575286135289,0.5336251799054211,0.6485826022890823
EOS-2-36610,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)no1,QGJHMBJQKPEJOZ-UHFFFAOYSA-N,2,1,0.676,43,521,418.844,4.382,5,0.418,0.83,1.0,0.8788037146186005,0.8750942361729833,0.5726560893701597,0.6002330203550134,0.7316967651291892
EOS-2-36611,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)n1,XHWSHCNHULHCGP-UHFFFAOYSA-N,2,1,0.576,11,848,418.844,4.116,5,0.383,0.73,1.0,0.8970341306284696,0.8545250496881639,0.5491570145980399,0.572596120896443,0.7183280789527791
EOS-2-36612,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnoc5)cc4)n23)c1,BMKMWEUHHSYLHU-UHFFFAOYSA-N,2,1,0.605,11,922,418.844,4.116,5,0.409,0.69,1.0,0.8161195257350421,0.8120588033719416,0.6402062915495854,0.6734802275375231,0.735466212048523
EOS-2-36613,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)nc4)n23)c1,UTFAUGOPPQWZLZ-UHFFFAOYSA-N,2,1,0.646,11,56,418.844,4.116,5,0.409,0.75,1.0,0.7545147693783839,0.819786169556576,0.5491655815228565,0.5789956137344938,0.6756155335480776
EOS-2-36614,CCOc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)cc1,OQUHOILVUFXWDR-UHFFFAOYSA-N,2,1,0.402,96,574,418.844,4.56,5,0.413,0.87,1.0,0.5794924953738606,0.8415461585909122,0.5525666506750737,0.5881707902131451,0.6404440237132479
EOS-2-36615,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,RZOBFNPUVOOCFC-UHFFFAOYSA-N,2,1,0.75,91,660,418.844,4.116,5,0.409,0.79,1.0,0.9414622027277089,0.9361250085669248,0.6462973750942361,0.6734887944623398,0.7993433452128024
EOS-2-36617,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccoc5)c4)n23)cn1,FOOKILSSBQHPBC-UHFFFAOYSA-N,2,1,0.551,2,419,418.844,4.116,5,0.383,0.69,1.0,0.6308083750257008,0.6060071276814475,0.660458501816188,0.6765814543211569,0.6434638647111233
EOS-2-36618,Cc1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)n1,HPJZDEGJYLOHDC-UHFFFAOYSA-N,2,1,0.628,1,992,418.844,4.382,5,0.391,0.77,1.0,0.8269138510040436,0.6782605715852238,0.6337639640874512,0.5726046878212597,0.6778857686244946
EOS-2-36619,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)on1,ZFWSMILXRSOWHU-UHFFFAOYSA-N,2,1,0.544,11,201,418.844,4.116,5,0.409,0.77,1.0,0.7121341923103283,0.7077736275786444,0.4383095743951751,0.5065108628606675,0.5911820642862038
EOS-2-36620,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)on1,RJFALUXCHLTPHE-UHFFFAOYSA-N,2,1,0.494,97,560,418.844,4.382,5,0.418,0.84,1.0,0.5740610650400932,0.5823024467137277,0.5787557398396271,0.6156791857994655,0.5876996093482283
EOS-2-36621,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1F,BSPJNFBGVGEHCR-UHFFFAOYSA-N,2,1,0.476,83,472,418.834,6.057,5,0.358,0.85,1.0,0.5342162977177712,0.9230604482215065,0.9888715646631485,0.9963504900280995,0.8606247001576315
EOS-2-36622,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)cc1,WFZDAQOPOSQKEG-UHFFFAOYSA-N,2,1,0.492,83,533,418.834,6.057,5,0.358,0.88,1.0,0.5085155232677678,0.9156843259543554,0.987980604482215,0.9963590569529162,0.8521348776643136
EOS-2-36623,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccccc5Cl)n34)cc2F)c1,OORJBPVPIUNDRW-UHFFFAOYSA-N,2,1,0.47,83,480,418.834,6.057,5,0.358,0.87,1.0,0.40825680213830445,0.6978616955657597,0.9843996299088479,0.9947741758618326,0.7713230758686862
EOS-2-36624,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cc4)n23)cc1Cl,QJXIBSLMMMTIKJ-UHFFFAOYSA-N,2,1,0.418,83,472,418.834,6.057,5,0.358,0.84,1.0,0.4984493866081831,0.8311116441642108,0.9877749982866151,0.9958107737646494,0.8282867007059146
EOS-2-36625,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)nn1,PMFDQFHNEANOBR-UHFFFAOYSA-N,2,1,0.379,22,844,418.823,3.806,5,0.439,0.78,1.0,0.3890069220752519,0.6247858268795833,0.5726646562949763,0.6561836063326708,0.5606602528956205
EOS-2-36626,Cc1cc(-c2nnc3cncc(-c4cnc(-c5ccc(Cl)nc5)nn4)n23)ccc1F,DUAZKHATOBQNTM-UHFFFAOYSA-N,2,1,0.355,22,844,418.823,3.806,5,0.411,0.79,1.0,0.3359348228359948,0.48882016311424853,0.6251028030978,0.7107463504900281,0.5401510348845179
EOS-2-36627,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5Cl)n34)cn2)nn1,NMWBUPVMHRFRNA-UHFFFAOYSA-N,2,1,0.378,22,844,418.823,3.806,5,0.439,0.8,1.0,0.27068912343225277,0.5073846891919677,0.5882050579124117,0.6795284764580906,0.5114518367486807
EOS-2-36628,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1Cl,MKNUVZPINYETFT-UHFFFAOYSA-N,2,1,0.681,13,15,418.819,4.833,5,0.416,0.84,1.0,0.9236858337331232,0.9402542663285587,0.9062949763552876,0.9159241998492221,0.9215398190665479
EOS-2-36629,Fc1cccc(Cl)c1-c1nnc2cncc(Oc3ccc(-c4ccccc4)nn3)n12,BJHLLWMTKMDTIF-UHFFFAOYSA-N,2,1,0.41,57,616,418.819,4.833,5,0.416,0.84,1.0,0.7366270303611816,0.8514837913782468,0.7818089918442875,0.8437649921184291,0.8034212014255362
EOS-2-36630,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4cccnc4)ccn3)n12,PZDBKTGDRQBVBG-UHFFFAOYSA-N,2,1,0.42,13,110,418.819,4.833,5,0.416,0.83,1.0,0.6512747584127202,0.707782194503461,0.8743917483380166,0.8986789801932699,0.783031920361867
EOS-2-36631,Fc1cncc(-c2ccnc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)c1,TVTXTDCYQKYPAT-UHFFFAOYSA-N,2,1,0.506,13,110,418.819,4.833,5,0.416,0.84,1.0,0.6395809060379686,0.7077907614282777,0.864634020971832,0.9046843944897539,0.779172520731958
EOS-2-36632,Fc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1,JQOWXVGISQZBTA-UHFFFAOYSA-N,2,1,0.5,57,417,418.819,4.833,5,0.416,0.87,1.0,0.9066205194983209,0.9658265369063121,0.8494962648207799,0.8931618806113357,0.9037763004591872
EOS-2-36633,Fc1ccccc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,DPJWVYFVZUVPTF-UHFFFAOYSA-N,2,1,0.507,57,417,418.819,4.833,5,0.416,0.84,1.0,0.9344887259269412,0.964875608251662,0.8444760468782126,0.8904118977451854,0.9085630697005003
EOS-2-36634,Fc1cc(Oc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)ccc1Cl,ZYWGRDVOMZGKOY-UHFFFAOYSA-N,2,1,0.556,13,995,418.819,4.833,5,0.416,0.72,1.0,0.8316085258035776,0.7707919265300528,0.8844407511479679,0.9033479542183538,0.847547289424988
EOS-2-36635,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,YGXODNGCFSOAPW-UHFFFAOYSA-N,2,1,0.519,13,284,418.819,4.833,5,0.389,0.86,1.0,0.882504626139401,0.9599410595572613,0.8833441847714344,0.8986875471180865,0.9061193543965458
EOS-2-36636,Fc1cc(Cl)cc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,WGTUHRMPYCLUKK-UHFFFAOYSA-N,2,1,0.545,13,15,418.819,4.833,5,0.416,0.81,1.0,0.8436450551709959,0.9193424028510726,0.9148961688712219,0.9295284764580906,0.9018530258378453
EOS-2-36637,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccccc5Cl)n34)nn2)cc1,DSVKPDDEMCZRGU-UHFFFAOYSA-N,2,1,0.463,57,417,418.819,4.833,5,0.416,0.86,1.0,0.7277174285518471,0.8778956205880337,0.8315142896305942,0.8835155232677678,0.8301607155095607
EOS-2-36638,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,WIVHQKINWUXTMJ-UHFFFAOYSA-N,2,1,0.538,13,145,418.819,4.833,5,0.416,0.79,1.0,0.8365773421972449,0.9096446439586047,0.8950551709958193,0.9058666301144541,0.8867859468165308
EOS-2-36639,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,XCSKSSJBXKLRKR-UHFFFAOYSA-N,2,1,0.5,13,110,418.819,4.833,5,0.416,0.75,1.0,0.7573675553423344,0.792115002398739,0.8460866287437462,0.8693201288465492,0.8162223288328422
EOS-2-36640,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)ccn2)nc1,UHOLYFLBGILEKZ-UHFFFAOYSA-N,2,1,0.632,13,110,418.819,4.833,5,0.416,0.72,1.0,0.7545233363032006,0.8197947364813927,0.8428311973134124,0.8807741073264341,0.8244808443561099
EOS-2-36641,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)ccn2)cn1,QQSOJFIWSUUQMP-UHFFFAOYSA-N,2,1,0.603,13,284,418.819,4.833,5,0.389,0.81,1.0,0.7779967103008704,0.8380851209649784,0.8821619491467343,0.9011805222397368,0.84985607566308
EOS-2-36642,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)ccn2)cn1,MVTWCKMLGDHBEI-UHFFFAOYSA-N,2,1,0.612,13,284,418.819,4.833,5,0.389,0.78,1.0,0.7063429511342608,0.8449129600438626,0.8756596532108835,0.89988691659242,0.8317006202453567
EOS-2-36643,Fc1ccccc1-c1ccc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)nn1,QKUMJZQSBVSCRB-UHFFFAOYSA-N,2,1,0.544,19,616,418.819,4.833,5,0.416,0.83,1.0,0.6939466109245426,0.8044513741347405,0.804931121924474,0.8850490028099514,0.7970945274484271
EOS-2-36644,Fc1cccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)c1,TWKQEOLRKRXAFT-UHFFFAOYSA-N,2,1,0.524,44,616,418.819,4.833,5,0.416,0.84,1.0,0.6424079912274689,0.7921235693235557,0.8511925159344802,0.9011890891645535,0.7967282914125146
EOS-2-36645,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)cnn2)cc1,JYCYYRCVYSNLLP-UHFFFAOYSA-N,2,1,0.579,34,15,418.819,4.833,5,0.416,0.65,1.0,0.6572716057843876,0.8380936878897951,0.8808683434994174,0.9212185593859228,0.8243630491398808
EOS-2-36646,Fc1ccccc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)nn1,BPTDSVYGGNFSLD-UHFFFAOYSA-N,2,1,0.526,19,616,418.819,4.833,5,0.416,0.86,1.0,0.7487834966760332,0.7666798026180522,0.8151257624563086,0.887713316427935,0.8045755945445823
EOS-2-36647,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,BPNMLPWFEDEGIJ-UHFFFAOYSA-N,2,1,0.532,13,913,418.819,4.833,5,0.416,0.8,1.0,0.8618155027071482,0.9005123021040368,0.9196336782948393,0.9283976423822905,0.9025897813720787
EOS-2-36648,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nn4)n23)cc1Cl,GMODHUANGXTVOJ-UHFFFAOYSA-N,2,1,0.506,57,417,418.819,4.833,5,0.416,0.81,1.0,0.9210643547392228,0.9346343636488246,0.842839764238229,0.8764649441436502,0.8937508566924817
EOS-2-36649,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)cc1Cl,SLAORRHRVUPNON-UHFFFAOYSA-N,2,1,0.613,13,995,418.819,4.833,5,0.416,0.77,1.0,0.8291840860804606,0.8415547255157289,0.9111267219518882,0.927480981426907,0.8773366287437461
EOS-2-36650,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cncc(-c4cccnc4)c3)n12,PNCUXSCSAWPUPD-UHFFFAOYSA-N,2,1,0.481,13,995,418.819,4.833,5,0.416,0.76,1.0,0.6761359742306902,0.8044599410595573,0.9007778767733534,0.9179973956548557,0.8248427969296142
EOS-2-36651,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,JMSOSQHIOZUHCY-UHFFFAOYSA-N,2,1,0.482,13,145,418.819,4.833,5,0.416,0.8,1.0,0.7720940991021863,0.8576005756973477,0.8781354944829004,0.8931704475361524,0.8502501542046468
EOS-2-36652,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,LQRUAWIXYHAOSL-UHFFFAOYSA-N,2,1,0.521,13,417,418.819,4.833,5,0.389,0.85,1.0,0.9080854636419711,0.9615259406483448,0.8913885271742855,0.9011976560893702,0.9155493968884929
EOS-2-36653,Fc1cccc(Oc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1,PXRWNXXVPCRHCL-UHFFFAOYSA-N,2,1,0.608,57,613,418.819,4.833,5,0.416,0.88,1.0,0.6939551778493592,0.8238383249948599,0.8444846138030293,0.882170516071551,0.8111121581796998
EOS-2-36654,Fc1cccc(Cl)c1-c1nnc2cncc(Oc3ccc(-c4cccnn4)cc3)n12,FXZLAXRGBPFZOF-UHFFFAOYSA-N,2,1,0.519,57,15,418.819,4.833,5,0.416,0.8,1.0,0.7153039544924954,0.8545336166129806,0.8585515043519978,0.8917997395654855,0.8300472037557398
EOS-2-36655,Fc1cc(Cl)cc(Oc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)c1,MJLJTDDRWIMFQZ-UHFFFAOYSA-N,2,1,0.43,13,692,418.819,4.833,5,0.416,0.76,1.0,0.6572801727092044,0.6881725035981084,0.8315228565554109,0.8722928517579329,0.7623170961551641
EOS-2-36656,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,ZQXISNYCEVQYGP-UHFFFAOYSA-N,2,1,0.404,13,110,418.819,4.833,5,0.416,0.81,1.0,0.6424165581522857,0.6636368309231718,0.839721403604962,0.8708279076142827,0.7541506750736755
EOS-2-36657,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cnncn5)nc4)n23)nc1,MBBONDMYTYSXQA-UHFFFAOYSA-N,2,1,0.42,51,48,418.808,2.061,5,0.418,0.64,1.0,0.6139315331368652,0.6344664519224179,0.15192584469878692,0.18125042834624083,0.39539356452607777
EOS-2-36658,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)nn1,WJGQUNLPGJCILY-UHFFFAOYSA-N,2,1,0.404,53,587,418.808,2.061,5,0.418,0.63,0.984,0.44285861147282574,0.5073932561167843,0.1027516962511137,0.14660578438763622,0.29990233705709
EOS-2-36659,Clc1cccc(-c2ncc(COc3cncc4nnc(-c5cccnn5)n34)nn2)n1,HCUAMTBEWZZFCE-UHFFFAOYSA-N,2,1,0.391,53,587,418.808,2.061,5,0.391,0.62,1.0,0.3998269481187033,0.4491724350627099,0.05990850524295799,0.11261222671509835,0.2553800287848674
EOS-2-36660,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)n1,VXZIJHXCWNAXRF-UHFFFAOYSA-N,2,1,0.374,7,94,418.808,2.061,5,0.418,0.66,0.995,0.4357052292509081,0.507401823041601,0.10547597834281407,0.14661435131245287,0.29879934548694403
EOS-2-36662,COc1cc(-c2nnc3cncc(CCc4cc(F)c(F)cc4F)n23)ccc1Cl,PUHMATDQFQZQBU-UHFFFAOYSA-N,2,1,0.467,23,627,418.806,4.656,4,0.442,0.75,1.0,0.8987817832910698,0.9314646014666575,0.9781200740182304,0.9785998218079638,0.9467415701459804
EOS-2-36667,OC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1,ZSJHUAIRGYNCKL-UHFFFAOYSA-N,2,1,0.556,90,305,418.791,2.898,4,0.514,0.72,1.0,0.9445634295113426,0.9444863271879926,0.9318586800082242,0.8986961140429032,0.9299011376876156
EOS-2-36668,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5Br)nn4)n23)c(F)c1,WYXBOHCSDGNHII-UHFFFAOYSA-N,2,1,0.419,34,616,481.26,5.081,5,0.356,0.69,1.0,0.666806593105339,0.7578987046809678,0.8688575149064491,0.8998954835172367,0.7983645740524982
EOS-2-36669,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Br)cc5F)n34)nc2)cn1,ZJCGZYPRRIIUOA-UHFFFAOYSA-N,2,1,0.414,13,145,481.26,5.081,5,0.333,0.69,1.0,0.6850455760400247,0.7956959769721061,0.9158556644506888,0.9134911932012885,0.827522102666027
EOS-2-36670,Fc1cc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)ccc1-c1nnco1,DAWKAHGGOLYLPC-UHFFFAOYSA-N,2,1,0.74,91,629,481.285,4.364,5,0.356,0.71,1.0,0.9620313892125283,0.9431413199917758,0.7446542389143993,0.7348451099993146,0.8461680145295045
EOS-2-36671,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)cc1Br,WXOGHBDIMIUFAX-UHFFFAOYSA-N,2,1,0.485,87,307,481.289,3.495,5,0.396,0.66,1.0,0.7029932835309437,0.744919813583716,0.5491741484476732,0.5301298745802207,0.6318042800356384
EOS-2-36672,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Br)c4)n23)nc1F,QOWDHNWKQLHGAM-UHFFFAOYSA-N,2,1,0.415,46,62,481.289,3.462,5,0.355,0.67,1.0,0.6335840586663012,0.49358337331231583,0.5255208690288534,0.4812727023507642,0.5334902508395587
EOS-2-36673,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)c(F)c2)nn1,WFSIKKIGQUNRTP-UHFFFAOYSA-N,2,1,0.542,4,32,481.289,3.462,5,0.38,0.75,1.0,0.5418751285038722,0.6204766636967994,0.5011222671509835,0.5065194297854843,0.5424983722842849
EOS-2-36674,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)c(F)c1,JWAXBEHPDUKLNH-UHFFFAOYSA-N,2,1,0.561,36,712,481.289,3.462,5,0.38,0.7,1.0,0.5572784593242409,0.6685799465423892,0.4768436022205469,0.4692104722088959,0.5429781200740182
EOS-2-36675,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(Br)c(F)cn4)n23)cc1,WSYCWXXIXDCFJY-UHFFFAOYSA-N,2,1,0.543,36,734,481.289,3.462,5,0.38,0.69,1.0,0.6395894729627852,0.5715937906928928,0.5118223562470016,0.48452813378109794,0.5518834384209443
EOS-2-36676,Cn1c(COc2cncc3nnc(-c4ccc(Br)cc4F)n23)nnc1-c1ccccn1,BPJTXYZYBYCASQ-UHFFFAOYSA-N,2,1,0.523,34,446,481.289,3.462,5,0.38,0.67,1.0,0.5035038722500171,0.6587708176273045,0.19024569940374203,0.29183229387978893,0.4110881707902131
EOS-2-36677,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)n4)n23)nc1Br,IIIYOCGEJKONDI-UHFFFAOYSA-N,2,1,0.435,46,122,481.289,3.462,5,0.355,0.65,1.0,0.415127475841272,0.45370433829072715,0.3944469193338359,0.36817216092111577,0.4078627235967377
EOS-2-36678,Cn1cnnc1-c1nc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)ccc1F,SGQOJAKUZBFLOK-UHFFFAOYSA-N,2,1,0.549,34,32,481.289,3.462,5,0.38,0.71,1.0,0.7121427592351449,0.7877972722911384,0.3346840518127613,0.39069460626413544,0.5563296724007951
EOS-2-36679,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(Br)cc3)n12,FDDLDMOZRJWEBN-UHFFFAOYSA-N,2,1,0.556,73,32,481.289,3.462,5,0.38,0.6,1.0,0.62507710232335,0.712476869302995,0.32341854567884315,0.3581574258104311,0.5047824857789048
EOS-2-36680,COc1cc(-c2nnc3cncc(-c4cc(-c5cnc(Cl)nn5)cnc4OC)n23)ccc1Cl,FGROIVAAQSVZEH-UHFFFAOYSA-N,2,1,0.337,50,478,481.303,4.029,5,0.367,0.62,1.0,0.5211860050716195,0.5670190528407922,0.5691008155712426,0.5230964293057364,0.5451005756973477
EOS-2-36681,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(=O)[nH]n5)c(Cl)c4Cl)n23)nn1,USBCSOWRNAPBBG-UHFFFAOYSA-N,2,1,0.441,4,208,481.303,3.526,5,0.405,0.58,1.0,0.5184360222054691,0.5716023576177095,0.5289904735796038,0.5821482420670276,0.5502942738674526
EOS-2-36682,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5nc(Cl)ccc5Cl)n34)cn2)n[nH]1,FQYBXLOQGQMOLU-UHFFFAOYSA-N,2,1,0.451,58,954,481.303,3.26,5,0.367,0.61,0.734,0.670053457610856,0.6782691385100404,0.3944554862586526,0.4932920978685491,0.5590175450620245
EOS-2-36683,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cnc(Cl)cn1,MVXOZOQFJMXRIN-UHFFFAOYSA-N,2,1,0.447,7,94,481.303,3.933,5,0.356,0.66,1.0,0.7397025563703653,0.6831608525803577,0.5491827153724899,0.5199438009732027,0.6229974813241039
EOS-2-36684,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccc(Cl)nn1,AVKCUTKHXYIIIV-UHFFFAOYSA-N,2,1,0.473,72,224,481.303,3.933,5,0.356,0.68,1.0,0.715312521417312,0.7124854362278117,0.5255294359536701,0.5166883695428689,0.6175039407854157
EOS-2-36685,OCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccc(Cl)nc1,RVXFJNHKWQRPBZ-UHFFFAOYSA-N,2,1,0.361,51,196,481.303,3.416,5,0.363,0.59,0.997,0.5970632581728462,0.6060156946062641,0.42701836748680694,0.4965389623740662,0.5316590706599958
EOS-2-36686,Cn1ncc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cc1=O,FFWISKKHDDWFPO-UHFFFAOYSA-N,2,1,0.424,73,605,481.303,3.228,5,0.376,0.65,1.0,0.4404341717497087,0.4537129052155438,0.43831814131999175,0.5199523678980194,0.4631043965458159
EOS-2-36687,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)nn4)n23)ccc1Cl,VOJWJVBXEPOMPD-UHFFFAOYSA-N,2,1,0.489,73,67,481.303,3.933,5,0.356,0.73,1.0,0.7247361387156467,0.8198033034062093,0.46666609553834554,0.49330066479336576,0.6261265506133918
EOS-2-36688,COc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nn2)n1,FABBKAVIPZLMEY-UHFFFAOYSA-N,2,1,0.506,4,391,481.303,3.933,5,0.356,0.66,1.0,0.7517476526626002,0.8694743334932493,0.5255380028784867,0.5466811733260228,0.6733602905900898
EOS-2-36689,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5ncc(Cl)cn5)n4)n23)ccc1Cl,DODGKKRRHFMVLC-UHFFFAOYSA-N,2,1,0.511,73,82,481.303,3.933,5,0.356,0.67,1.0,0.8482797614968131,0.8576091426221644,0.4158213967514221,0.4473476800767596,0.6422644952367897
EOS-2-36690,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(Cl)c2)cc1=O,CPUUELLSXWEQQG-UHFFFAOYSA-N,2,1,0.429,73,196,481.303,3.228,5,0.376,0.68,1.0,0.45680556507436093,0.5255465698033034,0.43832670824480846,0.519960934822836,0.4851599444863272
EOS-2-36691,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cnc(Cl)nc1,QFWFRQFPJFRDHM-UHFFFAOYSA-N,2,1,0.447,2,94,481.303,3.933,5,0.333,0.58,1.0,0.7975978342814063,0.7579072716057844,0.5978599821807964,0.5499623055308067,0.6758318483996985
EOS-2-36692,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)c(Cl)c2)cc1=O,KGGYEKHXJBEHNS-UHFFFAOYSA-N,2,1,0.456,16,605,481.303,3.228,5,0.352,0.62,1.0,0.5342248646425879,0.5716109245425263,0.5457902131450895,0.585206634226578,0.5592081591391953
EOS-2-36693,Fc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccc(Cl)cc5Cl)cc4)n23)cc1,OFKSXAUSTDHLES-UHFFFAOYSA-N,2,1,0.667,57,590,481.314,6.609,5,0.273,0.83,1.0,0.9911160989651154,0.9903193749571654,0.980347474470564,0.9857360701802481,0.9868797546432732
EOS-2-36694,Fc1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1Cl,OYWUMNMJEHVXSM-UHFFFAOYSA-N,2,1,0.722,57,590,481.314,6.609,5,0.273,0.84,1.0,0.9976783633746831,0.9961363169076828,0.9826862449455144,0.9882204783770817,0.9911803509012405
EOS-2-36695,Fc1ccc(-c2nnc3cncc(OCc4cccc(Oc5ccc(Cl)c(Cl)c5)c4)n23)cc1,WJODTMLUTJJFPK-UHFFFAOYSA-N,2,1,0.684,57,590,481.314,6.609,5,0.273,0.87,1.0,0.9961191830580495,0.9926410115824823,0.9811870331025975,0.9870725104516482,0.9892549345486943
EOS-2-36696,Fc1cc(Cl)cc(Oc2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1,LMDWIYULECERGE-UHFFFAOYSA-N,2,1,0.694,57,590,481.314,6.609,5,0.273,0.82,1.0,0.9909533273935988,0.9936433417860325,0.9792166403947639,0.9860016448495648,0.98745373860599
EOS-2-36697,Fc1cc(COc2cncc3nnc(-c4cccc(Oc5ccc(Cl)cc5)c4)n23)ccc1Cl,WHUVICBPUQXYBG-UHFFFAOYSA-N,2,1,0.73,57,590,481.314,6.609,5,0.273,0.82,1.0,0.9837656774724145,0.976946405318347,0.9811956000274141,0.9868412034815982,0.9821872215749434
EOS-2-36698,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cc1Cl,FOTROBXKKJAUCN-UHFFFAOYSA-N,2,1,0.58,84,429,481.318,5.316,5,0.327,0.84,1.0,0.9587930916318278,0.9658351038311288,0.9120690836817216,0.9375042834624083,0.9435503906517716
EOS-2-36699,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cc1Cl,ZNZCWNIQOWFURU-UHFFFAOYSA-N,2,1,0.576,88,429,481.318,5.316,5,0.306,0.8,1.0,0.952599204989377,0.9671715441025289,0.912908642313755,0.933100884106641,0.9414450688780756
EOS-2-36700,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cccc(-c4ccc(Cl)nn4)c3)n12,UOFAGWXATLVYHS-UHFFFAOYSA-N,2,1,0.581,19,613,481.318,5.316,5,0.327,0.76,1.0,0.9519652525529436,0.9671801110273456,0.8844493180727846,0.9201648276334727,0.9309398773216366
EOS-2-36701,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1Cl,CCERPOPBRCOZOS-UHFFFAOYSA-N,2,1,0.737,91,781,481.318,5.316,5,0.327,0.82,1.0,0.9885203207456651,0.990327941881982,0.9149047357960387,0.9322698923994243,0.9565057227057776
EOS-2-36702,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)ccc1Cl,HETMHUREBWSXGM-UHFFFAOYSA-N,2,1,0.58,84,429,481.318,5.316,5,0.327,0.79,1.0,0.960052429579878,0.9708124871496128,0.9120776506065382,0.937512850387225,0.9451138544308134
EOS-2-36703,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)ccc1Cl,JZEPXILHZDWLGX-UHFFFAOYSA-N,2,1,0.484,11,503,481.318,5.316,5,0.327,0.75,1.0,0.8412291823726955,0.8346926187375779,0.885700089096018,0.9224179288602563,0.871009954766637
EOS-2-36704,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)ccc1Cl,VRUUBFBQRQPRAF-UHFFFAOYSA-N,2,1,0.538,11,490,481.318,5.316,5,0.327,0.76,1.0,0.9323983962716743,0.9589044616544445,0.8913970940991022,0.9253221163731067,0.9270055170995819
EOS-2-36705,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)nn1,CJGQGGXDNQYPBJ-UHFFFAOYSA-N,2,1,0.549,19,691,481.318,5.316,5,0.327,0.73,1.0,0.8825131930642177,0.9174576793914057,0.8557244191624974,0.922426495785073,0.8945304468507984
EOS-2-36706,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)c(Cl)n4)n23)cnc1Cl,ZTYIKEIPSCCCDY-UHFFFAOYSA-N,2,1,0.489,11,198,481.318,5.316,5,0.306,0.67,1.0,0.884517853471318,0.8911486532794188,0.8460951956685628,0.8945325885820026,0.8790735727503255
EOS-2-36707,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)cc2)cn1,DFHUTCWFPKFBNW-UHFFFAOYSA-N,2,1,0.641,88,883,481.318,5.316,5,0.306,0.67,1.0,0.977177712288397,0.9801076005756973,0.9269241313138236,0.9383352751696251,0.9556361798368858
EOS-2-36708,Fc1ccc(Cc2nnc3cncc(OCc4ccc(-c5ncccc5Cl)nc4)n23)cc1Cl,AYIKKRFSQDYZAK-UHFFFAOYSA-N,2,1,0.384,59,294,481.318,5.197,5,0.332,0.74,1.0,0.46376190802549516,0.34667774655609623,0.8781440614077171,0.9091648961688712,0.6494371530395449
EOS-2-36709,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)ccc1Cl,GHGJPFLMKYDNBY-UHFFFAOYSA-N,2,1,0.737,91,781,481.318,5.316,5,0.327,0.8,1.0,0.9886916592419985,0.9900538002878487,0.9139195394421219,0.9322784593242409,0.9562358645740525
EOS-2-36710,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nn4)n23)ccc1Cl,CTFLITARIJILJM-UHFFFAOYSA-N,2,1,0.697,19,691,481.318,5.316,5,0.327,0.8,0.999,0.9649869782742787,0.9648841751764786,0.895063737920636,0.9349513398670414,0.9399715578096087
EOS-2-36711,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)ccc1Cl,MOOQQACMKOFPNH-UHFFFAOYSA-N,2,1,0.607,11,595,481.318,5.316,5,0.306,0.72,1.0,0.9644301281611952,0.9579963676238777,0.9216212048523063,0.9392262353505586,0.9458184839969844
EOS-2-36712,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccc(Cl)nc1,YGWUSPZBHBUYCK-UHFFFAOYSA-N,2,1,0.552,88,111,481.318,5.316,5,0.306,0.7,1.0,0.9425759029538757,0.9648927421012953,0.9007864436981701,0.9274895483517237,0.9339361592762662
EOS-2-36713,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nn4)n23)ccc1Cl,ZZSMKRCOHXICNI-UHFFFAOYSA-N,2,1,0.65,19,691,481.318,5.316,5,0.327,0.77,0.999,0.9377270235076417,0.9402628332533753,0.8879874580220684,0.9322870262490577,0.9245660852580357
EOS-2-36714,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)n1,QLVWFDZKOWIJRG-UHFFFAOYSA-N,2,1,0.641,44,13,481.318,5.582,5,0.326,0.79,1.0,0.9453687204441094,0.9028853402782537,0.8985761770954698,0.9264272496744569,0.9183143718730724
EOS-2-36715,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccc(Cl)nc1,YMUNOYMBPUDISJ-UHFFFAOYSA-N,2,1,0.553,88,429,481.318,5.316,5,0.306,0.74,1.0,0.9788054280035638,0.9783942156123638,0.9235059283119731,0.9449575080529093,0.9564157699952025
EOS-2-36716,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)nn1,PEUOIKYJFGWDTQ-UHFFFAOYSA-N,2,1,0.667,19,691,481.318,5.316,5,0.327,0.77,1.0,0.9249708724556234,0.9314731683914742,0.8857086560208347,0.9306678774587074,0.9182051435816598
EOS-2-36717,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)nn3)n12,GGZJMAHHWSXXRZ-UHFFFAOYSA-N,2,1,0.568,19,691,481.318,5.316,5,0.327,0.86,1.0,0.9396717154410252,0.9509629223493935,0.8844578849976013,0.9322955931738743,0.9268470289904736
EOS-2-36718,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cc1Cl,SXFHBHSRZWNBEY-UHFFFAOYSA-N,2,1,0.568,88,141,481.318,5.316,5,0.327,0.79,1.0,0.939680282365842,0.9552121170584607,0.8901377561510521,0.9212271263107394,0.9265643204715235
EOS-2-36719,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cccnc1Cl,RRTGYTKZRPUVBH-UHFFFAOYSA-N,2,1,0.607,11,352,481.318,5.316,5,0.306,0.7,1.0,0.9728771160304297,0.9758412720169968,0.917783222534439,0.934959906791858,0.9503653793434309
EOS-2-36720,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cnc1Cl,HDJJUQQHPQMMGH-UHFFFAOYSA-N,2,1,0.625,59,294,481.318,5.582,5,0.305,0.74,1.0,0.9396888492906587,0.9375214173120416,0.9367675279281749,0.9409653210883421,0.9387357789048043
EOS-2-36721,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)nc1Cl,IQBHKIYTRJOZFP-UHFFFAOYSA-N,2,1,0.512,11,801,481.318,5.316,5,0.306,0.77,1.0,0.92497943938044,0.970058597765746,0.8632204783770817,0.9058751970392708,0.9160334281406346
EOS-2-36722,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cncc(Cl)c1,XXQJETDMOCNLRS-UHFFFAOYSA-N,2,1,0.573,35,429,481.318,5.316,5,0.327,0.71,1.0,0.9812384346514975,0.9787454595298472,0.9205246384757727,0.9465252552943595,0.9567584469878692
EOS-2-36723,Fc1cc(Cl)cc(-c2ncccc2-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,ZWOPCBMATYTXBS-UHFFFAOYSA-N,2,1,0.588,11,595,481.318,5.316,5,0.306,0.65,1.0,0.8747858268795833,0.9193509697758893,0.8716074977725995,0.9114865327941882,0.8943077068055652
EOS-2-36724,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)cnc1Cl,IPVDBGURGPAWQR-UHFFFAOYSA-N,2,1,0.56,88,801,481.318,5.316,5,0.306,0.74,1.0,0.9479045301898431,0.97483037488863,0.897539579192653,0.9253306832979233,0.9364012918922624
EOS-2-36725,Cc1ccccc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)ncc1F,NFUQONQVLRCSTG-UHFFFAOYSA-N,2,1,0.576,34,210,481.318,5.582,5,0.326,0.7,1.0,0.9066290864231376,0.964901309026112,0.8151343293811254,0.8708364745390994,0.8893752998423686
EOS-2-36726,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)ccc2F)nn1,SQQBDZYTYLDIQI-UHFFFAOYSA-N,2,1,0.554,34,146,481.318,5.582,5,0.326,0.7,1.0,0.9066376533479542,0.9608063189637448,0.9216297717771229,0.9375214173120416,0.9316487903502159
EOS-2-36727,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)cc1Cl,IHJMDPGSXJWERA-UHFFFAOYSA-N,2,1,0.688,11,360,481.318,5.316,5,0.306,0.79,1.0,0.9666917963127956,0.9633249948598451,0.9260845726817901,0.9392348022753753,0.9488340415324515
EOS-2-36728,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cccc(-c4ccc(Cl)nn4)c3)n12,AQMYOIAXIHYGMI-UHFFFAOYSA-N,2,1,0.591,91,613,481.318,5.316,5,0.327,0.76,1.0,0.9542012199300939,0.9693732437804126,0.9007950106229867,0.92533925022274,0.9374271811390583
EOS-2-36729,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)ccc1Cl,DWQJBUISETUPQJ-UHFFFAOYSA-N,2,1,0.671,19,570,481.318,5.316,5,0.327,0.75,1.0,0.9526077719141937,0.940271400178192,0.919642245219656,0.9506630799808101,0.9407961243232129
EOS-2-36730,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)ccc1Cl,RFWFMCJZKIHXRY-UHFFFAOYSA-N,2,1,0.494,88,503,481.318,5.316,5,0.327,0.78,1.0,0.8970426975532863,0.8637944623397985,0.9091991638681379,0.9383438420944418,0.9020950414639162
EOS-2-36731,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)nc4)n23)cc1Cl,IHTBWTNCZVRCJK-UHFFFAOYSA-N,2,1,0.687,84,360,481.318,5.316,5,0.306,0.8,1.0,0.9701785347131794,0.9738194777602632,0.8937444314988692,0.9169008292783223,0.9386608183126586
EOS-2-36732,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)cn4)nc3)n12,VISBXNMWAFLHHX-UHFFFAOYSA-N,2,1,0.557,84,672,481.318,5.316,5,0.327,0.68,1.0,0.9495922143787267,0.9758498389418134,0.8926735658967857,0.9232917551915565,0.9353518436022206
EOS-2-36733,Fc1c(-c2cccnc2)ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1Cl,RDIOHORBXBWNRI-UHFFFAOYSA-N,2,1,0.523,35,429,481.318,5.316,5,0.327,0.72,1.0,0.9301795627441574,0.9509714892742102,0.9149133027208554,0.9383524090192584,0.9336041909396203
EOS-2-36734,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)ccc1Cl,GYMNJQJYGXOXTQ-UHFFFAOYSA-N,2,1,0.731,91,613,481.318,5.316,5,0.327,0.77,1.0,0.9649955451990954,0.9721317935713796,0.9083253375368378,0.9295370433829073,0.943747429922555
EOS-2-36735,Fc1cc(Cl)cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)c1,YOOAFWSKVLKQNM-UHFFFAOYSA-N,2,1,0.541,11,490,481.318,5.316,5,0.327,0.68,1.0,0.8683606332670825,0.8884158042629018,0.8794119662805839,0.9201733945582894,0.8890904495922143
EOS-2-36736,Fc1cc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)n1,QUEYBZKZNCFCOG-UHFFFAOYSA-N,2,1,0.462,11,848,481.318,5.316,5,0.306,0.82,1.0,0.8031834692618738,0.8545421835377973,0.8366287437461449,0.8972997052977864,0.8479135254609006
EOS-2-36737,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cc1Cl,DPZDXGKXRUPEQR-UHFFFAOYSA-N,2,1,0.528,11,275,481.318,5.316,5,0.306,0.8,1.0,0.9435096977588925,0.9361335754917415,0.8808769104242341,0.9148276334726887,0.9188369542868892
EOS-2-36738,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)cnc1Cl,IRFMKDPMPTVDIK-UHFFFAOYSA-N,2,1,0.56,88,137,481.318,5.316,5,0.306,0.72,1.0,0.9182801041738058,0.9488297580700432,0.914921869645672,0.9401343293811254,0.9305415153176616
EOS-2-36739,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)cnc1Cl,KSQWHDZDCFSNBO-UHFFFAOYSA-N,2,1,0.639,84,732,481.318,5.316,5,0.306,0.79,1.0,0.9262045096292235,0.9640531834692618,0.9042046467000205,0.9284062093071072,0.9307171372764033
EOS-2-36740,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)nc3)n12,ZSKAFJOEPZIXDR-UHFFFAOYSA-N,2,1,0.535,88,749,481.318,5.316,5,0.306,0.79,1.0,0.9425844698786924,0.9693818107052292,0.9008035775478035,0.9274981152765404,0.9350669933520663
EOS-2-36741,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ccc(F)c(Cl)c5)cn4)n23)ccc1Cl,HUWQNLJDGXGZCU-UHFFFAOYSA-N,2,1,0.512,59,929,481.318,5.582,5,0.326,0.76,1.0,0.8970512644781029,0.9541241176067439,0.9303594681653073,0.9433126584881091,0.9312118771845659
EOS-2-36742,Cc1nc(-c2ccccc2Cl)c(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1F,DORSTHBWBYAXGC-UHFFFAOYSA-N,2,1,0.489,59,992,481.318,5.582,5,0.305,0.7,1.0,0.8390703173188953,0.8804057295593174,0.8646425878966486,0.8987046809677198,0.8707058289356453
EOS-2-36743,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,PACMRKDIMGERSY-UHFFFAOYSA-N,2,1,0.489,11,384,481.318,5.316,5,0.306,0.8,1.0,0.8506270988965801,0.857617709546981,0.8996299088479199,0.930676444383524,0.8846377904187512
EOS-2-36744,CC(Oc1cncc2nnc(-c3ccc(-c4ccc(F)c(Cl)c4)cn3)n12)c1cccc(Cl)n1,LROGWXDFAGZAKE-UHFFFAOYSA-N,2,1,0.396,59,153,481.318,5.834,5,0.294,0.66,0.998,0.8618240696319649,0.8576262764717977,0.9449489411280927,0.9472705777534096,0.9029174662463163
EOS-2-36745,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccnc(Cl)c4)nc3)n12,AQFROCVJLFGNDJ-UHFFFAOYSA-N,2,1,0.54,88,749,481.318,5.316,5,0.306,0.81,1.0,0.9236944006579398,0.9552206839832773,0.9030652456994037,0.929545610307724,0.9278814851620862
EOS-2-36746,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cc1Cl,JWWBNJHKYJIAKZ-UHFFFAOYSA-N,2,1,0.452,11,503,481.318,5.316,5,0.306,0.8,1.0,0.8528373654992804,0.8381022548146118,0.8716160646974163,0.912523130697005,0.8687697039270783
EOS-2-36747,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)c2)nn1,WRQGSFRPBPRYHT-UHFFFAOYSA-N,2,1,0.581,19,613,481.318,5.316,5,0.327,0.65,1.0,0.9526163388390103,0.9671886779521623,0.8857172229456515,0.9212356932355562,0.9316894832430951
EOS-2-36748,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)cc1Cl,XVWLBUJYQVGUAQ-UHFFFAOYSA-N,2,1,0.576,88,429,481.318,5.316,5,0.327,0.78,1.0,0.9725515728873964,0.9509800561990268,0.9158642313755054,0.9392433692001919,0.9446598074155301
EOS-2-36749,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nc(Cl)ccc5Cl)n34)cc2)cn1,HVHMKRZUPAHHKG-UHFFFAOYSA-N,2,1,0.524,11,111,481.318,5.316,5,0.306,0.67,1.0,0.9692019052840792,0.9753272565279967,0.867495373860599,0.9068775272428209,0.929725515728874
EOS-2-36750,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cc1Cl,FSXIMQPRHZPPGT-UHFFFAOYSA-N,2,1,0.607,11,429,481.318,5.316,5,0.306,0.78,1.0,0.9661949146734288,0.9531560551024604,0.9168494277294222,0.9357737646494414,0.9429935405386881
EOS-2-36751,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)cn4)n23)ccc1Cl,JKGIFHVKXVUYSY-UHFFFAOYSA-N,2,1,0.61,84,360,481.318,5.316,5,0.327,0.81,1.0,0.9496007813035433,0.9331094510314577,0.9186056473168391,0.9416763758481256,0.9357480638749914
EOS-2-36752,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cc1Cl,VIBAALSMVXJPCD-UHFFFAOYSA-N,2,1,0.593,91,111,481.318,5.316,5,0.306,0.71,1.0,0.9742306901514632,0.9784027825371805,0.9196508121444726,0.932304160098691,0.9511471112329519
EOS-2-36753,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)ccc1Cl,OGLJMXJADRWWLZ-UHFFFAOYSA-N,2,1,0.522,88,137,481.318,5.316,5,0.327,0.71,1.0,0.8987903502158865,0.9193595367007059,0.9111352888767048,0.9409738880131588,0.917564765951614
EOS-2-36754,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)ccc1Cl,AILQYDDRVYGGBV-UHFFFAOYSA-N,2,1,0.688,11,360,481.318,5.316,5,0.306,0.78,1.0,0.9672315125762456,0.9624340346789116,0.9260931396066068,0.9383609759440751,0.9485299157014597
EOS-2-36755,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)s5)n34)o2)cc1Cl,KPFVOJAUDWCLBY-UHFFFAOYSA-N,2,1,0.293,76,541,481.324,6.137,6,0.299,0.7,0.991,0.2841648961688712,0.3756682201357001,0.6222500171338496,0.7633301350147351,0.511353317113289
EOS-2-36756,COc1cc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)ccc1-c1cn[nH]c1,FFTLWYFYZSTESP-UHFFFAOYSA-N,2,1,0.533,91,313,481.343,5.118,5,0.347,0.6,1.0,0.9080940305667877,0.8857343567952848,0.8781526283325337,0.8723014186827497,0.886070608594339
EOS-2-36757,COc1cc(-c2nnc3cncc(OCc4c(-c5ccc(Cl)cc5)ncn4C)n23)ccc1Cl,SRSOIAMANWVEAV-UHFFFAOYSA-N,2,1,0.5,34,372,481.343,5.086,5,0.336,0.68,1.0,0.7635357412103352,0.8381108217394284,0.7818175587691042,0.7871547529298882,0.7926547186621891
EOS-2-36758,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cc2O)cn1,DPSWFBIQLNOCJE-UHFFFAOYSA-N,2,1,0.578,88,803,481.343,4.826,5,0.374,0.61,1.0,0.7153210883421287,0.7748526488931533,0.8461037625933795,0.8558957576588307,0.798043314371873
EOS-2-36759,COc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5C)cc4Cl)n23)ccc1Cl,IVDUNWNRGHRYIV-UHFFFAOYSA-N,2,1,0.495,16,67,481.343,5.18,5,0.333,0.71,1.0,0.7337571105475978,0.7214807072853129,0.8857257898704681,0.8473373997669796,0.7970752518675895
EOS-2-36760,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(Cl)n1,ZVJLPMCWUCONOG-UHFFFAOYSA-N,2,1,0.469,26,24,481.347,4.393,5,0.318,0.66,0.994,0.562898362003975,0.529967103008704,0.38345555479405113,0.44397231169899254,0.4800733328764306
EOS-2-36761,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)n5)n34)c2)nn1C,BVMCDMIDGVPQOG-UHFFFAOYSA-N,2,1,0.517,15,561,481.347,4.219,5,0.335,0.7,1.0,0.5629069289287917,0.6012610513330136,0.28336817216092114,0.3517664998971969,0.44982566307998084
EOS-2-36762,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)n(C)c1Cl,WSHQZCXSMYJSGV-UHFFFAOYSA-N,2,1,0.538,58,578,481.347,4.219,5,0.335,0.69,1.0,0.6969450346103763,0.7308357891851142,0.33083750257007744,0.39963847577273665,0.5395642005345761
EOS-2-36763,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)c1,LDRHBWCHHJZWMK-UHFFFAOYSA-N,2,1,0.423,31,544,481.347,4.219,5,0.335,0.67,0.74,0.4038448358577205,0.384826262764718,0.4418819820437256,0.46299088479199507,0.4233859913645398
EOS-2-36764,CCn1cncc1-c1cc(Cl)ncc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,IRNKAVRRSGAFDI-UHFFFAOYSA-N,2,1,0.446,26,328,481.347,4.393,5,0.318,0.58,0.92,0.5823281474881776,0.5670276197656089,0.4701956685628127,0.5231049962305531,0.5356641080117881
EOS-2-36765,Cc1c(Cl)cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)nn1C,PYCPCSPHADANOP-UHFFFAOYSA-N,2,1,0.43,95,235,481.347,4.219,5,0.358,0.57,0.824,0.42914296484134057,0.40871084915358785,0.43057364128572406,0.5135100404358851,0.4454843739291344
EOS-2-36766,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)cc1,NZWQMYQKTNQXKN-UHFFFAOYSA-N,2,1,0.58,15,187,481.347,4.393,5,0.318,0.64,1.0,0.8216023576177095,0.6542132136248372,0.44542868891782605,0.5065279967103009,0.6069430642176684
EOS-2-36767,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)ncn1,QDNRHACEUSZBSJ-UHFFFAOYSA-N,2,1,0.424,31,864,481.347,4.393,5,0.34,0.64,0.94,0.4708895894729628,0.444837571105476,0.5190357069426359,0.5913919539442122,0.5065387053663217
EOS-2-36768,NCCn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(Cl)c2)cn1,AXJWVJMDRLDGHO-UHFFFAOYSA-N,2,1,0.457,16,772,481.347,3.894,5,0.376,0.66,1.0,0.48345726817901447,0.4087194160784045,0.6012439174833801,0.6734973613871564,0.541729490781989
EOS-2-36769,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(Cl)n1,UYVJZDWPPWVCAM-UHFFFAOYSA-N,2,1,0.465,58,24,481.347,4.393,5,0.318,0.59,1.0,0.5766911109588102,0.5299756699335206,0.29053012130765543,0.3809711465972175,0.44454201219930095
EOS-2-36770,Cc1c(-c2cc(Cl)nc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)ncn1C,RNYBXTXOSFYJHM-UHFFFAOYSA-N,2,1,0.423,31,578,481.347,4.219,5,0.335,0.63,0.997,0.5392365156603386,0.4755242957987801,0.4270269344116236,0.4566427935028442,0.47460763484339663
EOS-2-36771,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4nc(Cl)ccc4Cl)n23)cc1,LGWSLRAIILYVIR-UHFFFAOYSA-N,2,1,0.494,15,734,481.347,4.393,5,0.318,0.62,1.0,0.7545319032280172,0.7077993283530943,0.3454612432321294,0.4502947022136934,0.5645217942567335
EOS-2-36772,Cc1nn(C)cc1-c1cnc(Cl)c(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,SJXCEWUVZIWDFQ-UHFFFAOYSA-N,2,1,0.5,65,669,481.347,4.219,5,0.335,0.66,1.0,0.49096189431841547,0.5391422794873553,0.5154461654444521,0.5199695017476527,0.516379960249469
EOS-2-36773,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccc2Cl)c(C)n1,OWCRKIWZXJAPCF-UHFFFAOYSA-N,2,1,0.466,51,196,481.347,4.659,5,0.348,0.76,1.0,0.44990062367212663,0.6295319032280172,0.4052326776780207,0.45030326913851004,0.48374211842916864
EOS-2-36774,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c(Cl)n2)n(C)n1,FYSBBFJRCDEGGT-UHFFFAOYSA-N,2,1,0.65,58,442,481.347,4.219,5,0.335,0.61,1.0,0.6452607771914194,0.7124940031526283,0.27189705983140294,0.3871650332396683,0.5042042183537797
EOS-2-36775,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cc(-c6noc(C(F)(F)F)n6)no5)n34)cc2)n1,VBIBCIZUYMSUEJ-UHFFFAOYSA-N,2,1,0.303,42,478,481.354,3.874,6,0.361,0.67,1.0,0.4082653690631211,0.422606401206223,0.4305822082105407,0.2980261805222397,0.38987003975053114
EOS-2-36776,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Br)n34)cs2)n1,SZALZJUXWVXEAV-UHFFFAOYSA-N,2,1,0.662,84,73,481.379,4.637,5,0.354,0.65,1.0,0.40184874237543694,0.35637550544856417,0.46311938866424507,0.44735624700157633,0.41717497087245564
EOS-2-36777,Fc1nc(-c2nnc3cncc(OCCc4cncc(OC(F)F)n4)n23)ccc1-c1cncnc1,KAZKFHBFNXCGQX-UHFFFAOYSA-N,2,1,0.402,65,435,481.398,2.795,5,0.305,0.56,0.985,0.7976064012062231,0.804468507984374,0.572673223219793,0.5033153999040504,0.6695158830786101
EOS-2-36778,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-n5nncc5C(F)(F)F)cc4)n23)cn1,FJLSJWORLSZLRM-UHFFFAOYSA-N,2,1,0.473,27,51,481.398,2.464,5,0.39,0.68,1.0,0.4151360427660887,0.3707165375916661,0.7034558974710438,0.5097148927421012,0.499755842642725
EOS-2-36779,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(OC(F)F)cc5)ccn4)n23)cc1F,XACCZOJDFPWPKM-UHFFFAOYSA-N,2,1,0.712,57,560,481.409,5.312,5,0.293,0.85,1.0,0.9638732780481118,0.9714807072853129,0.9860701802480981,0.9812213008018642,0.9756613665958467
EOS-2-36780,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,YQWLQHPZQMLJFF-UHFFFAOYSA-N,2,1,0.627,1,640,481.409,5.47,5,0.3,0.81,1.0,0.9900366664382153,0.984605236104448,0.9888801315879652,0.9778630662737304,0.9853462751010897
EOS-2-36781,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)(F)F)nc5)cc4)n23)c1,XGCUVOSWPQPBIJ-UHFFFAOYSA-N,2,1,0.612,1,640,481.409,5.47,5,0.3,0.83,1.0,0.97452196559523,0.9640617503940785,0.9913988074840655,0.9814954423959975,0.9778694914673428
EOS-2-36782,COc1cc(-c2nnc3cncc(-c4cccc(OC(F)(F)F)c4)n23)ccc1-c1ccc(F)cn1,MAEACVDMHUQBRC-UHFFFAOYSA-N,2,1,0.391,96,697,481.409,5.567,5,0.306,0.78,1.0,0.7890823110136386,0.8857429237201014,0.9903707765060654,0.9762696182578302,0.9103664073744089
EOS-2-36783,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cc2)cn1,QKWUNVCRNWKKLG-UHFFFAOYSA-N,2,1,0.636,1,640,481.409,5.47,5,0.237,0.77,1.0,0.9894369817010485,0.972637242135563,0.9934720032896991,0.9849050784730313,0.9851128263998354
EOS-2-36784,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)nc2)c1,JJMQXNHBRZOCPK-UHFFFAOYSA-N,2,1,0.634,1,640,481.409,5.47,5,0.3,0.83,1.0,0.965646631485162,0.9726458090603797,0.9904735796038654,0.9815040093208142,0.9775675073675553
EOS-2-36785,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1ccc(F)c(F)c1,LUMZJFSLITVNNP-UHFFFAOYSA-N,2,1,0.517,59,13,481.409,4.997,5,0.318,0.65,1.0,0.9733996984442465,0.9314817353162909,0.9814954423959975,0.9708638886985128,0.9643101912137619
EOS-2-36786,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)cc2)cn1,PRORBPRFWZUHBT-UHFFFAOYSA-N,2,1,0.56,1,640,481.409,5.47,5,0.237,0.66,1.0,0.9857446371050648,0.9658436707559455,0.9915187444314989,0.9806473168391474,0.9809385922829141
EOS-2-36787,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cc1F,OYFKCFGYZZFGLW-UHFFFAOYSA-N,2,1,0.712,1,640,481.409,5.312,5,0.293,0.84,1.0,0.9908076896717154,0.9903365088067987,0.9860787471729148,0.9786083887327804,0.9864578335960523
EOS-2-36788,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc2F)nc1,MPYXWRUCZTXYCP-UHFFFAOYSA-N,2,1,0.731,57,640,481.409,5.312,5,0.293,0.79,1.0,0.9947056404632993,0.9885888561441984,0.9848451099993146,0.9786169556575971,0.9866891405661024
EOS-2-36789,Fc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5ccc(OC(F)F)cc5)c4)n23)c1,NOCKVALPNCIHAT-UHFFFAOYSA-N,2,1,0.6,57,137,481.409,5.312,5,0.293,0.78,1.0,0.9644386950860119,0.9640703173188953,0.9877835652114317,0.9844338976081146,0.9751816188061134
EOS-2-36790,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncc(OC(F)(F)F)c5)c4)n23)cc1,BFLKOJKYCKVQML-UHFFFAOYSA-N,2,1,0.617,1,640,481.409,5.47,5,0.3,0.73,1.0,0.9891799739565486,0.9820180248098143,0.9930522239736824,0.9866098965115482,0.9877150298128984
EOS-2-36791,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2F)cc1,JYFNVYOMYIKALH-UHFFFAOYSA-N,2,1,0.718,57,640,481.409,5.312,5,0.293,0.76,1.0,0.9906877527242821,0.9861301487218148,0.9803560413953807,0.9746162017682133,0.9829475361524228
EOS-2-36792,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(OC(F)(F)F)cc5)n34)c2)nc1,JXJVEBAWQQTEGK-UHFFFAOYSA-N,2,1,0.563,1,713,481.409,5.47,5,0.3,0.81,1.0,0.965004112123912,0.9477760263175931,0.9908676581454321,0.980218970598314,0.9709666917963128
EOS-2-36793,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)cc2)nc1,BGRBQZPFZRAGBY-UHFFFAOYSA-N,2,1,0.54,1,640,481.409,5.47,5,0.3,0.7,1.0,0.9873723528202316,0.9708210540744294,0.9893684463025153,0.9762781851826469,0.9809600095949558
EOS-2-36794,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(OC(F)F)cn5)c4)n23)cc1F,VSEIXVGMZAIHPE-UHFFFAOYSA-N,2,1,0.699,57,11,481.409,5.312,5,0.293,0.78,1.0,0.9866098965115482,0.9809471592077308,0.9860873140977314,0.9789253649509972,0.9831424336920019
EOS-2-36795,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(OC(F)(F)F)c5)n34)cc2)nc1,VQDSLHKQUPNLLB-UHFFFAOYSA-N,2,1,0.565,1,640,481.409,5.47,5,0.3,0.81,1.0,0.9902251387841821,0.9796107189363306,0.9908762250702488,0.9802275375231307,0.985234905078473
EOS-2-36796,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5ccc(OC(F)F)cc5)c4)n23)c1F,NCMAFQRWOMKDGZ-UHFFFAOYSA-N,2,1,0.598,1,137,481.409,5.312,5,0.293,0.8,1.0,0.9626739085737783,0.9658522376807621,0.9879891714070317,0.9839198821191145,0.9751087999451716
EOS-2-36797,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(OC(F)(F)F)c5)n34)c2)cn1,YIAFZPXMCOZGDI-UHFFFAOYSA-N,2,1,0.553,1,640,481.409,5.47,5,0.237,0.79,1.0,0.9638818449729285,0.9608148858885615,0.992392570762799,0.9832259612089644,0.9750788157083133
EOS-2-36798,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cn2)cc1,MWFSLKICJFKEPW-UHFFFAOYSA-N,2,1,0.642,1,640,481.409,5.47,5,0.3,0.84,1.0,0.9912617366869988,0.9787540264546638,0.9911503666643822,0.9815125762456308,0.9856696765129188
EOS-2-36799,Fc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cnc(C(F)(F)F)nc1,JOSUKVBTUZHJDT-UHFFFAOYSA-N,2,1,0.617,35,4,481.413,4.423,5,0.332,0.74,1.0,0.9662034815982455,0.9665118908916456,0.9396460146665753,0.8643256116784319,0.9341717497087246
EOS-2-36800,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(C(F)(F)F)nc5)nc4)n23)c1,RTMLZGUXQVXAJO-UHFFFAOYSA-N,2,1,0.651,27,429,481.413,4.423,5,0.332,0.75,1.0,0.9620399561373449,0.9640788842437119,0.9542269207045438,0.8945411555068192,0.943721729148105
EOS-2-36801,Fc1cccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nn2)n1,BGFQHIVTZCYHDD-UHFFFAOYSA-N,2,1,0.534,72,138,481.413,4.423,5,0.262,0.73,1.0,0.9573452813378109,0.959949626482078,0.9402971009526421,0.8987132478925365,0.9390763141662669
EOS-2-36802,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(C(F)F)n5)n34)c2)cc1F,GFEAIUDLQDFYPM-UHFFFAOYSA-N,2,1,0.516,87,884,481.413,4.481,5,0.317,0.68,1.0,0.8482883284216298,0.8829672400795011,0.9092077307929546,0.890420464670002,0.8827209409910219
EOS-2-36803,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(C(F)(F)F)nc5)cn4)n23)cn1,JVGUXQUUXFKSNX-UHFFFAOYSA-N,2,1,0.538,27,529,481.413,4.423,5,0.262,0.69,1.0,0.9035021588650538,0.8937272976492359,0.9542354876293606,0.8918083064903023,0.9108183126584881
EOS-2-36804,COc1cc(-c2nnc3cncc(OCCc4cncc(OC(F)F)c4)n23)ccc1-c1nnco1,SLZCBRQUBQJXBM-UHFFFAOYSA-N,2,1,0.532,15,925,481.419,3.468,5,0.309,0.65,1.0,0.9155815228565554,0.7449283805085326,0.7109776574600781,0.5399818381193887,0.7278673497361386
EOS-2-36805,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5cnc(-c6cncc(F)c6)cn5)n34)nc2)nc1,UTLGVCJENVSKRH-UHFFFAOYSA-N,2,1,0.323,80,318,481.426,4.171,6,0.358,0.64,1.0,0.6969536015351929,0.6439928723185525,0.6402148584744021,0.6243146460146666,0.6513689945857035
EOS-2-36806,Fc1cc(-c2cncnn2)ncc1-c1cncc2nnc(-c3ncc(Oc4ccccc4)cc3F)n12,JMEDMKDRQLHEDX-UHFFFAOYSA-N,2,1,0.279,10,543,481.426,4.171,6,0.358,0.64,0.984,0.444966074977726,0.4711208964430128,0.6073778356521143,0.6476081145911864,0.5427682304160099
EOS-2-36807,Cn1c(CO)ccc1-c1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)cc1,HBTFEERZCQNOGG-UHFFFAOYSA-N,2,1,0.576,1,528,481.434,4.822,5,0.359,0.67,1.0,0.8881587965184018,0.9054725515728874,0.9701014323898294,0.9425844698786924,0.9265793125899527
EOS-2-36808,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)s2)cc1F,BUYJPGKIZRKUIN-UHFFFAOYSA-N,2,1,0.426,96,140,481.434,5.938,5,0.291,0.63,1.0,0.7153296552669454,0.9212356932355562,0.9915273113563156,0.9924868069357823,0.9051448666986498
EOS-2-36809,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6conn6)n5)n34)cn2)cn1,NFLDPPMKBCTKMZ-UHFFFAOYSA-N,2,1,0.366,80,816,481.436,2.071,6,0.325,0.61,1.0,0.3232386402576931,0.169976355287506,0.08594338976081146,0.047246590363922966,0.1566012439174834
EOS-2-36810,COc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)n2)cn1,FOKVSZLHSHKDLT-UHFFFAOYSA-N,2,1,0.382,80,34,481.436,2.071,6,0.325,0.68,1.0,0.41064697416215473,0.24582790761428278,0.0679699814954424,0.035081557124254675,0.18988160509903365
EOS-2-36811,CCn1nc(-c2ccc(OC)nc2)cc1Oc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,JHWCYMMDUZMRSY-UHFFFAOYSA-N,2,1,0.472,27,51,481.438,4.889,5,0.341,0.73,1.0,0.5766996778836269,0.6247943938043999,0.8996384757727366,0.7348536769241313,0.7089965560962237
EOS-2-36812,COc1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1ccn(C(F)F)n1,GIWOAFCVBHFMDS-UHFFFAOYSA-N,2,1,0.505,49,703,481.438,4.214,5,0.328,0.63,1.0,0.6365396477280515,0.5345932424097046,0.7267236652731136,0.6128178329106984,0.627668597080392
EOS-2-36813,COc1nc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)ccc1-c1nccn1C,RPQATASENREAPX-UHFFFAOYSA-N,2,1,0.433,49,551,481.438,3.634,5,0.328,0.63,0.999,0.6365482146528683,0.52555513672812,0.6369508601192516,0.5499708724556234,0.5872562709889658
EOS-2-36814,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4OC(F)(F)F)n23)cc1,QXVOSVRUWGJQLM-UHFFFAOYSA-N,2,1,0.547,43,431,481.438,4.547,5,0.337,0.64,1.0,0.7664998971969021,0.707807895277911,0.8950723048454526,0.7942310328284559,0.7909027825371804
EOS-2-36815,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(OC(F)(F)F)c4)n23)cc1,LIXVSQZAXCIKGT-UHFFFAOYSA-N,2,1,0.687,91,187,481.438,4.107,5,0.346,0.76,1.0,0.8845264203961346,0.9054811184977041,0.9111438558015215,0.8219621684600096,0.8807783907888425
EOS-2-36816,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cn5)n34)c(F)c2)c1,BWTOHXDKGRTNSH-UHFFFAOYSA-N,2,1,0.333,32,20,481.441,5.395,6,0.314,0.63,1.0,0.3682149955451991,0.596763415804263,0.9355852923034748,0.942593036803509,0.7107891851141115
EOS-2-36817,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(F)c(F)c6)cc5)n34)cc2)cn1,QQPJGQZRLRVPJA-UHFFFAOYSA-N,2,1,0.355,69,645,481.441,5.395,6,0.314,0.74,1.0,0.38215338222191764,0.6108560071276814,0.942541635254609,0.9392519361250086,0.7187007401823041
EOS-2-36818,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)cc5F)n34)cn2)cc1F,MWSXOACPAQSFLN-UHFFFAOYSA-N,2,1,0.305,3,923,481.441,5.395,6,0.336,0.68,1.0,0.3500531149338633,0.5580494825577411,0.9461911452265095,0.952599204989377,0.7017232369268727
EOS-2-36819,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncc(F)c6)nc5)n34)cc2F)nc1,BHMYIPJINGNBGR-UHFFFAOYSA-N,2,1,0.351,32,192,481.441,5.395,6,0.336,0.72,1.0,0.4197107806181893,0.6344750188472346,0.9355938592282914,0.9426016037283257,0.7330953156055102
EOS-2-36820,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)cn5)n34)nc2)ccn1,WRTDJBCPVRBMTL-UHFFFAOYSA-N,2,1,0.296,32,20,481.441,5.395,6,0.314,0.75,1.0,0.36822356247001575,0.5670361866904257,0.9409995887876088,0.9472791446782263,0.7058846206565691
EOS-2-36821,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)cc5)n34)cn2)nc1,QBDGPGNSROYTQA-UHFFFAOYSA-N,2,1,0.351,32,594,481.441,5.395,6,0.336,0.73,1.0,0.39558632033445273,0.6978702624905764,0.9310705229250908,0.9426101706531423,0.7417843191008155
EOS-2-36822,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)cc1F,LWDGCQBURNDXDM-UHFFFAOYSA-N,2,1,0.362,32,20,481.441,5.395,6,0.314,0.63,1.0,0.3429254334863957,0.5530549653896237,0.9083339044616544,0.9233003221163731,0.6819036563635117
EOS-2-36823,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)c(F)c1,ZBOZKBRNAUQFAM-UHFFFAOYSA-N,2,1,0.338,32,20,481.441,5.395,6,0.314,0.66,0.964,0.3544565142896306,0.5299842368583373,0.9083424713864711,0.9224350627098896,0.6788045713110822
EOS-2-36824,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(C(F)(F)F)n4)n23)cc1,NADATIWPSUWDNM-UHFFFAOYSA-N,2,1,0.511,20,734,481.442,3.5,5,0.348,0.65,1.0,0.6223356863820163,0.5873312315811117,0.5945788499760126,0.4314731683914742,0.5589297340826537
EOS-2-36825,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccc(F)n6)nn5)n34)cc2)o1,NVJWTFNXNFICSX-UHFFFAOYSA-N,2,1,0.468,81,609,481.451,3.72,6,0.324,0.65,1.0,0.6850541429648414,0.5920344733054622,0.2833767390857378,0.2532125968062504,0.45341948804057297
EOS-2-36826,Cn1nc(-c2ccccc2F)nc1Oc1cncc2nnc(-c3ccc(-c4ccc(=O)[nH]n4)cc3)n12,DRKTXQVSYHNTQX-UHFFFAOYSA-N,2,1,0.38,77,722,481.451,3.269,6,0.397,0.58,1.0,0.5211945719964362,0.4841683229387979,0.2905386882324721,0.30757830169282435,0.4008699712151326
EOS-2-36827,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)c(F)c5)n34)nn2)no1,SNATWUSEQGFQGJ-UHFFFAOYSA-N,2,1,0.511,40,25,481.451,3.72,6,0.347,0.69,1.0,0.5657254471934754,0.5487543691316565,0.29791481049962304,0.307586868617641,0.429995373860599
EOS-2-36828,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nc1-c1nnco1,ZWHFGZDXWHPHID-UHFFFAOYSA-N,2,1,0.485,40,868,481.451,3.454,6,0.334,0.64,0.992,0.778005277225687,0.6542217805496539,0.34170893016242887,0.3389760811459119,0.5282280172709204
EOS-2-36829,CCOc1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnco6)n5)n34)c(F)c2)cn1,FAIFURZQYIOCOA-UHFFFAOYSA-N,2,1,0.33,42,572,481.451,3.898,6,0.345,0.61,1.0,0.5712853813994928,0.6159533273935988,0.4052412446028374,0.3681807278459324,0.4901651703104653
EOS-2-36830,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)ccc2F)o1,WPPKDCFOWBYBHZ-UHFFFAOYSA-N,2,1,0.464,81,868,481.451,3.72,6,0.347,0.67,1.0,0.585386539647728,0.5967719827290796,0.37972037557398397,0.33263655678157766,0.4736288636830923
EOS-2-36831,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6nnco6)nc5)n34)cc2)nn1,RHTLHWDHFAXSRS-UHFFFAOYSA-N,2,1,0.534,81,49,481.451,3.454,6,0.334,0.66,1.0,0.9357137961757248,0.7449369474333494,0.3759080940305668,0.3421115756288123,0.5996676033171133
EOS-2-36832,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5cccnc5F)n34)cn2)n1,KDLPBVFWTGNTTK-UHFFFAOYSA-N,2,1,0.412,6,297,481.451,3.72,6,0.324,0.65,1.0,0.6910509903365089,0.5716194914673429,0.2760434514426701,0.2386402576930985,0.4443385477349051
EOS-2-36833,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(-c6nnco6)n5)n34)ccn2)cn1,COFSGQYEUPUVCY-UHFFFAOYSA-N,2,1,0.489,81,218,481.451,3.72,6,0.347,0.59,1.0,0.5740696319649099,0.4935919402371325,0.34954766636967993,0.2980347474470564,0.4288109965046947
EOS-2-36834,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nn5)n4)n23)cc1,KFUNVRVCZPRDAQ-UHFFFAOYSA-N,2,1,0.505,81,609,481.455,2.552,6,0.349,0.55,1.0,0.5035124391748338,0.4626139401000617,0.1644678226303886,0.16732917551915563,0.32448084435610997
EOS-2-36835,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nn5)ccn4)n23)c1,ZYKPMIFZIQOHQM-UHFFFAOYSA-N,2,1,0.433,71,826,481.455,2.552,6,0.349,0.53,1.0,0.43329792337742445,0.3563840723733809,0.2078164622027277,0.21541532451511206,0.3032284456171613
EOS-2-36836,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)cn5)n34)cc2F)n1,NYDVBJFRZUJQAZ-UHFFFAOYSA-N,2,1,0.545,56,415,481.455,2.552,6,0.349,0.62,1.0,0.4984579535329998,0.5211260365979028,0.1804108697142074,0.17285484202590637,0.3432124254677541
EOS-2-36837,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)c(F)c2)n1,OSSLUIYHSHYTNI-UHFFFAOYSA-N,2,1,0.479,81,218,481.455,2.552,6,0.349,0.52,0.999,0.4637704749503118,0.5074103899664176,0.17730964293057364,0.17837194160784045,0.3317156123637859
EOS-2-36838,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cc2F)n1,TYXOJRBMSWLQFY-UHFFFAOYSA-N,2,1,0.443,71,614,481.455,2.552,6,0.349,0.62,0.998,0.5212031389212528,0.4888287300390652,0.2431121924473991,0.22985915975601398,0.3707508052909328
EOS-2-36839,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cncc(F)c6)nc5)n34)n2)nn1,JQCXJAHUWCXENQ-UHFFFAOYSA-N,2,1,0.4,80,816,481.455,2.552,6,0.349,0.62,1.0,0.3682321293948324,0.3803800287848674,0.22172058118017957,0.22086388869851278,0.297799157014598
EOS-2-36840,COc1cccnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cn4)n23)c(F)c1,DIXADQDQMWSFIB-UHFFFAOYSA-N,2,1,0.323,98,654,481.455,2.649,6,0.362,0.67,0.997,0.3055479405112741,0.41361969707353846,0.1426992666712357,0.15160030155575355,0.25336680145295043
EOS-2-36841,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)nn2)n1,ZSJDKASCQRYDQA-UHFFFAOYSA-N,2,1,0.458,71,415,481.455,2.552,6,0.349,0.62,1.0,0.5159516140086354,0.44484613803029266,0.14560345418408607,0.17006202453567268,0.31911580768967174
EOS-2-36842,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nc5)n34)c(F)c2)n1,ZRRBSMGRCCQLDL-UHFFFAOYSA-N,2,1,0.462,56,868,481.455,2.552,6,0.349,0.62,1.0,0.5266174354053869,0.5028185182646837,0.29411966280583923,0.262379206360085,0.39648370570899866
EOS-2-36843,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)c1,QHYPADPAHJMXHR-UHFFFAOYSA-N,2,1,0.545,56,415,481.455,2.552,6,0.349,0.64,1.0,0.5883249948598451,0.4491810019875266,0.17731820985539032,0.17286340895072305,0.34692190391337124
EOS-2-36844,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncc(F)cn6)n5)n34)cn2)cn1,CHLXTAVBGSYOLC-UHFFFAOYSA-N,2,1,0.394,80,816,481.455,2.552,6,0.349,0.67,1.0,0.39983551504352,0.43168734151189087,0.1902542663285587,0.1594904393119046,0.29531689054896854
EOS-2-36845,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(F)n5)nn4)n23)cn1,HLVQZHQWABJDBJ-UHFFFAOYSA-N,2,1,0.417,80,34,481.455,2.552,6,0.327,0.61,1.0,0.4590243986018779,0.47553286272359674,0.11070180248098142,0.11262079363991502,0.2894699643615928
EOS-2-36846,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ncc(F)cn6)n5)n34)nc2)n1,GVFMPYKPQWZOFM-UHFFFAOYSA-N,2,1,0.398,80,34,481.455,2.552,6,0.349,0.7,0.999,0.3567695839901309,0.35148379137824687,0.12234425330683298,0.10559591529024741,0.23404838599136452
EOS-2-36847,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nncn6C)cc5F)n34)nc2)nn1,UHHGOYYXXBHSDR-UHFFFAOYSA-N,2,1,0.385,99,765,481.455,3.074,6,0.361,0.65,1.0,0.41971934754300594,0.4755414296484134,0.1869045987252416,0.1728719758755397,0.31375933794805017
EOS-2-36848,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnc(F)nc6)nc5)n34)n2)cn1,HGXIGQCNIPFYMS-UHFFFAOYSA-N,2,1,0.388,80,816,481.455,2.552,6,0.327,0.64,1.0,0.3845778219450346,0.42261496813103966,0.28708621753135494,0.2180967719827291,0.32809394489753957
EOS-2-36849,COc1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(-c5nnn(C)n5)nn4)n23)c(F)c1,FTRHUBOUCXJHSJ-UHFFFAOYSA-N,2,1,0.356,98,63,481.455,2.649,6,0.362,0.61,0.996,0.26534336234665207,0.38038859570968403,0.14561202110890276,0.15949900623672128,0.23771074635049003
EOS-2-36850,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6cncnc6)n5)n34)cc2)n1,PKEHVTXXJGSXCX-UHFFFAOYSA-N,2,1,0.479,56,415,481.455,2.552,6,0.349,0.67,1.0,0.46377904187512853,0.4362877801384415,0.22500171338496333,0.2064371873072442,0.33287643067644435
EOS-2-36851,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)n1,KHHHYVJFJUMRIE-UHFFFAOYSA-N,2,1,0.432,6,843,481.455,2.552,6,0.349,0.67,1.0,0.4637876087999452,0.5162942910013022,0.1456205880337194,0.19745048317455965,0.3307882427523816
EOS-2-36852,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)c(F)c1,XECQWVXUJAXEAF-UHFFFAOYSA-N,2,1,0.458,6,868,481.455,2.552,6,0.349,0.71,1.0,0.597071825097663,0.5255637036529367,0.3161537934343088,0.30759543554245766,0.43659618943184153
EOS-2-36853,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cn1,QYNWENQPELKOIK-UHFFFAOYSA-N,2,1,0.447,6,843,481.455,2.552,6,0.327,0.67,1.0,0.54974813241039,0.47554999657323005,0.2078250291275444,0.2092814063463779,0.36060114111438557
EOS-2-36854,Cc1ncncc1-c1ccc(-c2nnc3cncc(OCc4cnn(-c5ccccn5)n4)n23)nc1F,SNCOMWAYZVDUMX-UHFFFAOYSA-N,2,1,0.364,6,843,481.455,2.646,6,0.327,0.57,0.36,0.18887499143307518,0.27138304434240285,0.12756151052018366,0.11498526488931533,0.17570120279624427
EOS-2-36855,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)nc5)n34)cc2F)n1,SBAMESFEQAZCAD-UHFFFAOYSA-N,2,1,0.479,56,415,481.455,2.552,6,0.349,0.69,1.0,0.6728719758755397,0.529992803783154,0.18691316565005825,0.17544205332054005,0.391304999657323
EOS-2-36856,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cccnn5)n4)n23)cc1,GZCBQTISXKANPO-UHFFFAOYSA-N,2,1,0.426,71,428,481.455,2.552,6,0.349,0.64,1.0,0.6820642862038243,0.5116510177506682,0.13051709958193408,0.13466349119320128,0.36472397368240694
EOS-2-36857,Cn1nc(-c2ncc(F)cn2)nc1COc1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,DEWFILGEDFGNIG-UHFFFAOYSA-N,2,1,0.44,56,197,481.455,2.552,6,0.349,0.69,0.872,0.5522582413816737,0.5255722705777535,0.08108594338976081,0.10365122335686382,0.31564191967651295
EOS-2-36858,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccon6)cc5)n34)cc2)cc1F,PFAALPBBSOEBLE-UHFFFAOYSA-N,2,1,0.608,12,492,481.462,5.971,6,0.292,0.77,1.0,0.9249880063052567,0.8160681241861422,0.9566342265780275,0.9486584195737098,0.911587194160784
EOS-2-36859,Fc1ccc(COc2cccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cc1F,AKUAMMUQKHLEQZ-UHFFFAOYSA-N,2,1,0.448,83,74,481.466,5.101,6,0.356,0.75,1.0,0.6543160167226373,0.7169745048317456,0.8926821328216024,0.8659961620176821,0.7824922040984168
EOS-2-36860,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccccc5-n5cccn5)n34)c2)cc1F,GYVLMTNXPRXMHI-UHFFFAOYSA-N,2,1,0.473,41,177,481.466,4.896,6,0.337,0.7,1.0,0.40619217325748747,0.38039716263450074,0.8833527516962512,0.8738434651497499,0.6359463881844973
EOS-2-36861,Cn1cc(-c2cc(F)c(-c3nnc4cncc(-c5ccc(-c6ccc(O)cc6)cn5)n34)cc2F)cn1,KXLYRJNEOBQPII-UHFFFAOYSA-N,2,1,0.294,3,192,481.466,4.905,6,0.385,0.57,1.0,0.2653519292714687,0.39447262010828593,0.8975481461174697,0.8821790829963676,0.609887944623398
EOS-2-36862,FC(F)Oc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cc1,ASNFSFRVKRQQCH-UHFFFAOYSA-N,2,1,0.41,30,668,481.466,5.307,6,0.321,0.74,0.999,0.09886231238434652,0.32254471934754303,0.8996470426975532,0.8864796792543349,0.5518834384209444
EOS-2-36863,Cn1nc(-c2ccc(F)nc2F)cc1-c1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)n12,HLVFQYCITQGATH-UHFFFAOYSA-N,2,1,0.382,17,960,481.466,5.324,6,0.31,0.74,1.0,0.19422931944349256,0.3365944760468782,0.794333835926256,0.787163319854705,0.5280802378178329
EOS-2-36864,COc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)cc5)n34)c2)nc1,LLAOZKYZVUNOMI-UHFFFAOYSA-N,2,1,0.371,3,550,481.466,4.993,6,0.345,0.78,1.0,0.2544976355287506,0.42262353505585637,0.8914056610239188,0.8611729833458982,0.607424953738606
EOS-2-36865,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5F)n34)cc2)c1,NUXFZOPCSRFGFE-UHFFFAOYSA-N,2,1,0.462,77,326,481.466,5.101,6,0.356,0.71,1.0,0.8436536220958125,0.787805839215955,0.9129172092385717,0.9033565211431704,0.8619332979233774
EOS-2-36866,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccnc5Oc5ccc(F)c(F)c5)n34)cc2)cn1,RSQUGSRPXOIQLZ-UHFFFAOYSA-N,2,1,0.441,3,192,481.466,5.324,6,0.331,0.72,1.0,0.35446508121444725,0.5163028579261189,0.8901463230758687,0.8594852991570145,0.6550998903433624
EOS-2-36867,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)cc4)n23)cc1F,WMUREMZMSQFWMH-UHFFFAOYSA-N,2,1,0.659,91,883,481.466,4.696,6,0.341,0.51,1.0,0.9697673223219793,0.973202659173463,0.8601877869919814,0.8543023096429305,0.9143650195325885
EOS-2-36868,FC(F)Oc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,WUDMOXWQFFUEFQ-UHFFFAOYSA-N,2,1,0.365,30,668,481.466,5.307,6,0.321,0.76,1.0,0.2163405523953122,0.3514923583030635,0.8729867726680831,0.8594938660818313,0.5750783873620725
EOS-2-36869,FC(F)Oc1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1-c1cccnc1,MGEBBVMLRDZPCI-UHFFFAOYSA-N,2,1,0.393,30,668,481.466,5.307,6,0.321,0.56,0.999,0.0430316633541224,0.3177129737509424,0.9092162977177712,0.891816873415119,0.5404444520594888
EOS-2-36870,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)o6)cc5F)n34)cc2F)cn1,QXKDAEXFKATDAY-UHFFFAOYSA-N,2,1,0.329,42,192,481.466,5.465,6,0.33,0.62,1.0,0.41514460969090533,0.5300013707079707,0.860196353916798,0.8139606606812418,0.6548257487492289
EOS-2-36871,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)cc1F,CBHPCWHMCOHZDE-UHFFFAOYSA-N,2,1,0.547,77,492,481.466,4.896,6,0.337,0.65,1.0,0.4834658351038311,0.5391508464121719,0.8857343567952848,0.867521074635049,0.6939680282365841
EOS-2-36872,Cn1nc(-c2ccc(F)cc2)cc1Oc1cncc2nnc(-c3cccc(-c4ccc(F)nc4)c3)n12,MJZYCHMSFDBCGN-UHFFFAOYSA-N,2,1,0.409,12,492,481.466,5.324,6,0.31,0.73,1.0,0.5367435405386882,0.6012696182578302,0.8527174285518471,0.840004112123912,0.7076836748680694
EOS-2-36873,FC(F)n1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccccc6)nc5)n34)cc2)cn1,XSQDHYYAQZKWPB-UHFFFAOYSA-N,2,1,0.482,12,285,481.466,5.904,6,0.294,0.76,1.0,0.5522668083064903,0.5716280583921596,0.8975567130422863,0.8559043245836474,0.7193389760811458
EOS-2-36874,Fc1cccc(-c2nnc3cncc(OCc4cn(-c5ccc(-c6ccccc6)cc5)nn4)n23)c1F,CXSGLIBRJBFECH-UHFFFAOYSA-N,2,1,0.629,12,285,481.466,4.896,6,0.337,0.74,1.0,0.2813206771297375,0.48417688986361457,0.8049396888492907,0.8318655335480776,0.6005756973476801
EOS-2-36875,CCn1c(-c2ccc(F)c(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,GWQHGWCVGRIGOO-UHFFFAOYSA-N,2,1,0.343,8,474,481.47,4.472,6,0.358,0.77,1.0,0.2217891165787129,0.3804057295593174,0.42703550133644025,0.5399904050442054,0.39230518812966897
EOS-2-36876,Cc1ncc(-c2nnc3cncc(-c4cccc(-c5cn(C)nn5)c4)n23)c(-c2ccc(F)cc2F)n1,GWMKTDRDDIUDEA-UHFFFAOYSA-N,2,1,0.311,3,192,481.47,4.297,6,0.37,0.65,1.0,0.14699986292920295,0.2608628606675348,0.5914690562675622,0.6214875608251662,0.4052048351723665
EOS-2-36877,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)n6)cn5)n34)cn2)nn1C,SPHCOKFWSDUQEA-UHFFFAOYSA-N,2,1,0.284,70,179,481.47,4.297,6,0.346,0.68,0.998,0.10891988211911452,0.2509080940305668,0.5691093824960592,0.5263604276608869,0.36382444657665686
EOS-2-36878,Cc1cc(C)c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)c(F)c2)nn1,NGZWRDXIJBULCH-UHFFFAOYSA-N,2,1,0.321,3,7,481.47,4.595,6,0.392,0.64,1.0,0.2841734630936879,0.3658933589198821,0.6630714138852717,0.6532965526694537,0.4916086971420739
EOS-2-36879,Cc1cc(-c2nnc3cncc(-c4ccc(-c5cnn(C)n5)cc4)n23)c(F)c(-c2cncc(F)c2)n1,FGBMVVOZCRYMTK-UHFFFAOYSA-N,2,1,0.276,42,339,481.47,4.297,6,0.37,0.65,1.0,0.23016756904941402,0.3225532862723597,0.6163988074840655,0.6063840723733809,0.44387593379480506
EOS-2-36880,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5F)n34)c(F)c2)n(C)n1,YQNJTNUEQDHFGQ-UHFFFAOYSA-N,2,1,0.359,42,192,481.47,4.297,6,0.37,0.69,1.0,0.22179768350352957,0.3022411075320403,0.5154547323692688,0.5301384415050373,0.39240799122746906
EOS-2-36881,Cn1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5cccnn5)cn4)n23)c1C(F)F,FKVUCCZIQPGMNU-UHFFFAOYSA-N,2,1,0.308,30,541,481.47,4.648,6,0.353,0.55,0.992,0.07385545884449318,0.15829963676238779,0.5045233363032006,0.5199780686724693,0.31416412514563774
EOS-2-36882,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)nc1F,HKYFWDNWHBSIFM-UHFFFAOYSA-N,2,1,0.318,64,714,481.47,4.297,6,0.37,0.71,1.0,0.1363683092317182,0.2662171886779522,0.47020423548762935,0.49964875608251663,0.34310962236995407
EOS-2-36883,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cc(C)[nH]n6)cn5)n34)c2)o1,UPXSPCCGFAWIIP-UHFFFAOYSA-N,2,1,0.379,81,348,481.476,3.522,6,0.36,0.65,0.998,0.43571379617572475,0.26087142759235143,0.21446439586046193,0.12415187444314989,0.258800373517922
EOS-2-36884,COc1ncccc1-c1coc(-c2nnc3cncc(OCc4cc(-c5cccnn5)nn4C)n23)c1,WPAZMFAJZFJCAQ-UHFFFAOYSA-N,2,1,0.359,6,826,481.476,3.224,6,0.335,0.53,0.961,0.14436125008566925,0.06908368172160921,0.17064457542320607,0.09934206017407991,0.12085789185114111
EOS-2-36885,COc1nc(-c2nnc3cncc(OCc4cccc(-c5cocn5)n4)n23)ccc1-c1ccnn1C,CPXUEFAXKNYATJ-UHFFFAOYSA-N,2,1,0.424,6,984,481.476,3.224,6,0.335,0.58,0.999,0.18592796929614144,0.0897642382290453,0.16136659584675486,0.0840158316770612,0.1302686587622507
EOS-2-36886,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccc(C#N)n5)c(OC)n4)n23)n1,MHFHFSGSFHDNAA-UHFFFAOYSA-N,2,1,0.379,49,501,481.476,2.549,5,0.322,0.48,0.998,0.46844801590021246,0.26622575560276884,0.1456291549585361,0.07112260982797615,0.2378563840723734
EOS-2-36887,COc1nc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(-c4cc(C)[nH]n4)cc3)n12,MQQILAHZZXJQMJ-UHFFFAOYSA-N,2,1,0.433,81,49,481.476,3.522,6,0.36,0.55,0.999,0.5795010622986773,0.3416232609142622,0.2288225618531972,0.13265883078610102,0.3206514289630594
EOS-2-36888,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5noc(C6CC6)n5)cc4)n23)on1,WGRVLEOKENFDOU-UHFFFAOYSA-N,2,1,0.489,56,8,481.476,3.686,7,0.332,0.71,1.0,0.44497464190254266,0.2662343225275855,0.01990096634911932,0.033959289973271196,0.19126730518812968
EOS-2-36889,COc1nc(-c2nnc3cncc(OCc4nnn(-c5ccccc5)n4)n23)ccc1-c1nccn1C,SKPINJVDGJAAMP-UHFFFAOYSA-N,2,1,0.345,6,288,481.48,2.15,6,0.334,0.56,0.615,0.11142142416558153,0.11214961277499828,0.02163148516208622,0.011471112329518196,0.06416840860804605
EOS-2-36890,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(-c5nnco5)n4)n23)cc1,LYCWGJFYGMLPJX-UHFFFAOYSA-N,2,1,0.435,71,614,481.48,2.531,6,0.316,0.59,1.0,0.41515317661572204,0.16998492221232267,0.03517579329723802,0.033967856898087866,0.16357043725584264
EOS-2-36891,Cc1cc(-c2nncn2C)ncc1-c1ccc(-c2nnc3cncc(OCc4nnnn4C)n23)cn1,ZOVZPMGJDJZCHX-UHFFFAOYSA-N,2,1,0.373,99,502,481.484,1.455,6,0.34,0.67,1.0,0.25996333356178464,0.20069734768007677,0.0132530326913851,0.009055239531217875,0.12074223836611611
EOS-2-36892,CCn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)cn4)n23)n1,JITWEZGTXKEOAN-UHFFFAOYSA-N,2,1,0.327,31,502,481.484,1.927,6,0.354,0.66,0.942,0.2111147282571448,0.15044376670550338,0.009517853471317936,0.004617572476183949,0.09392348022753752
EOS-2-36893,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)c(F)c2)cn1,ZYKOPJUZVAKXIR-UHFFFAOYSA-N,2,1,0.479,40,933,481.491,4.967,6,0.331,0.66,1.0,0.6637996024946885,0.5346018093345213,0.7609485299157015,0.6330786101021177,0.6481071379617573
EOS-2-36894,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnn(C)c6)cc5F)n34)cc2)o1,XKETYCDPXFFLFP-UHFFFAOYSA-N,2,1,0.506,41,190,481.491,4.873,6,0.335,0.78,1.0,0.7030018504557604,0.6204852306216161,0.790204578164622,0.6765900212459736,0.697570420121993
EOS-2-36895,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4-n4cccn4)n23)cc1F,FGVOZBWFTUFSOK-UHFFFAOYSA-N,2,1,0.567,67,807,481.495,3.533,6,0.344,0.62,1.0,0.657288739634021,0.5487629360564732,0.3982077993283531,0.38717360016448493,0.49785826879583306
EOS-2-36896,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnn(C)c6)n5)n34)c(F)c2)cn1,YFSJBECFYUDCMM-UHFFFAOYSA-N,2,1,0.489,71,549,481.495,3.705,6,0.357,0.7,1.0,0.4684565828250291,0.5346103762593379,0.5726817901446097,0.47228599821807965,0.5120086868617642
EOS-2-36897,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)ccc1F,AZPZVLFFJWTZQS-UHFFFAOYSA-N,2,1,0.5,4,547,481.495,3.799,6,0.357,0.69,0.99,0.24945171681173325,0.4136282639983552,0.5154632992940854,0.4186570488657392,0.39930008224247826
EOS-2-36898,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(-n6ccnc6)n5)n34)ccc2F)cn1,GUHDNLFODUOQBL-UHFFFAOYSA-N,2,1,0.455,15,394,481.495,3.533,6,0.344,0.66,0.999,0.412857240764855,0.4537214721403605,0.5045319032280172,0.437538551161675,0.4521622918237269
EOS-2-36899,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(-c6cncn6C)c5)n34)n2)cn1,KBROGHMCRQQHLM-UHFFFAOYSA-N,2,1,0.469,4,247,481.495,3.705,6,0.357,0.67,1.0,0.41065554108697144,0.47555856349804676,0.5691179494208759,0.4722945651428963,0.48190665478719763
EOS-2-36900,CCOc1cccc(-n2cc(-c3cncc4nnc(-c5cn(C)nc5-c5cccc(F)c5)n34)cn2)n1,ZXCBRTAANZOZOA-UHFFFAOYSA-N,2,1,0.327,10,151,481.495,3.977,6,0.355,0.7,0.993,0.09887087930916318,0.25091666095538345,0.3495562332944966,0.3260571585223768,0.256350233020355
EOS-2-36901,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)nn4C)n23)cc1,UAWKAVFNLWPCKZ-UHFFFAOYSA-N,2,1,0.433,40,415,481.495,3.705,6,0.334,0.61,1.0,0.5133986704132685,0.4801504351997807,0.5220683983277363,0.4283548077582071,0.48599307792474816
EOS-2-36902,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)ccc1F,ZCTWSHLTFRZYCM-UHFFFAOYSA-N,2,1,0.46,26,911,481.495,3.974,6,0.34,0.67,1.0,0.4291515317661572,0.4316959084367076,0.5818741004728942,0.4845367007059146,0.48181456034541836
EOS-2-36903,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnn(-c6cncc(F)c6)c5)n34)cc2)n1,KJVSJBGSCQNDEL-UHFFFAOYSA-N,2,1,0.5,40,889,481.495,3.533,6,0.344,0.66,1.0,0.552275375231307,0.5438455212117058,0.4768521691453636,0.42503940785415667,0.4995031183606332
EOS-2-36904,COc1cccc(-n2cc(-c3cncc4nnc(-c5c(-c6ccc(F)cc6)nn(C)c5C)n34)cn2)n1,RMGDKGFRZGACPG-UHFFFAOYSA-N,2,1,0.31,10,150,481.495,3.896,6,0.368,0.58,0.999,0.04448804057295593,0.2608799945171681,0.25734185456788433,0.2414587759577822,0.20104216640394762
EOS-2-36905,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4n[nH]c(C)n4)cc3F)n12,OAUFBGVENHCVEU-UHFFFAOYSA-N,2,1,0.316,9,7,481.495,4.1,6,0.395,0.59,1.0,0.3520577753409636,0.31772154067575903,0.47686073607018026,0.37129052155438286,0.37948264341032145
EOS-2-36906,Cn1cc(-c2ccc(COc3cncc4nnc(-c5cn(C)nc5-c5ccc(F)cc5)n34)nc2)cn1,ZKACFQDVYRLZFD-UHFFFAOYSA-N,2,1,0.506,71,549,481.495,3.705,6,0.357,0.69,1.0,0.35206634226578026,0.38975224453430196,0.5011308340758002,0.4439808786238092,0.4217325748749229
EOS-2-36907,Cn1cc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)n1,NBQYSQOCJAUEFK-UHFFFAOYSA-N,2,1,0.524,67,755,481.495,3.705,6,0.357,0.65,1.0,0.5212117058460695,0.5300099376327874,0.43059077513535743,0.4091905969433212,0.47275075388938387
EOS-2-36908,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccnn5C)n4)n23)cc1F,QSPWGXBQNMDWCF-UHFFFAOYSA-N,2,1,0.489,81,218,481.495,3.705,6,0.357,0.63,1.0,0.4684651497498458,0.44918956891234324,0.5083270509218011,0.41866561579055583,0.46116184634363644
EOS-2-36909,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cnn(C)c6)c(F)cn5)n34)cc2)n[nH]1,RVWITGLOBAABHS-UHFFFAOYSA-N,2,1,0.454,40,22,481.495,4.003,6,0.383,0.59,1.0,0.5184445891302858,0.49844081968336645,0.6103334247138648,0.4996573230073333,0.5317190391337125
EOS-2-36910,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccc(F)c6)nn5C)n34)cc2)cn1,YFUAWOCWIRLORI-UHFFFAOYSA-N,2,1,0.494,67,755,481.495,3.705,6,0.357,0.67,1.0,0.48852032074566515,0.5823110136385443,0.31986327187992597,0.3260657254471935,0.42919008292783223
EOS-2-36911,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnnn6C)nn5C)n34)cc2)cc1F,IHPDUODYIKRAJQ-UHFFFAOYSA-N,2,1,0.356,25,74,481.495,3.802,6,0.369,0.73,1.0,0.21921903913371257,0.32256185319717634,0.504540470152834,0.4566513604276609,0.37574318072784596
EOS-2-36912,Cn1cc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccc(F)cc6)n(C)n(C)c5=O)n34)nc2)cn1,DGPOLBVTOQXYLH-UHFFFAOYSA-N,2,1,0.337,98,714,481.495,3.097,6,0.384,0.59,1.0,0.1970906723322596,0.27654033308203685,0.257350421492701,0.31986327187992597,0.26271117469673083
EOS-2-36913,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nccnn6)n5)n34)cc2)s1,UFTQFEQTXIDADL-UHFFFAOYSA-N,2,1,0.465,81,609,481.505,2.548,6,0.365,0.6,1.0,0.3955948872592694,0.2869919813583716,0.09518710163799603,0.07312727023507641,0.21272531012267837
EOS-2-36914,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nnc(C)n5C)nc4)n23)c1,ZDIDYLAOPINWSV-UHFFFAOYSA-N,2,1,0.455,92,185,418.486,3.239,5,0.432,0.62,1.0,0.23583887327804812,0.215029812898362,0.04862586525940649,0.036075320402988144,0.1338924679597012
EOS-2-36915,CCn1cc(-c2cc(C)nc(-c3nnc4cncc(OCc5cncs5)n34)c2)cn1,HPMBAHAWZQYHRN-UHFFFAOYSA-N,2,1,0.44,92,711,418.486,3.414,5,0.417,0.69,1.0,0.10649544239599754,0.07981803851689398,0.13052566650675074,0.08056336097594408,0.09935062709889658
EOS-2-36916,CCn1cncc1COc1cncc2nnc(-c3ccnc(-c4cnc(C)s4)c3)n12,ZTZNMAQJRBRXDU-UHFFFAOYSA-N,2,1,0.456,7,43,418.486,3.414,5,0.417,0.65,1.0,0.25212459735453363,0.20070591460489343,0.11071036940579809,0.06420053457610855,0.15693535398533343
EOS-2-36917,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)c2)cs1,YOAHLXYAUJOXAK-UHFFFAOYSA-N,2,1,0.473,65,349,418.486,2.973,5,0.418,0.66,1.0,0.3334075800150778,0.21503837982317867,0.1366338839010349,0.09142622164347886,0.19412651634569256
EOS-2-36918,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5nccn5C)n34)ccn2)s1,WRIGGARVAUCKSJ-UHFFFAOYSA-N,2,1,0.476,75,359,418.486,2.973,5,0.418,0.68,1.0,0.3682406963196491,0.27654890000685356,0.058015214858474405,0.03706051675690494,0.1849663319854705
EOS-2-36919,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)cn2)cs1,QNDYGZCRDZHNJD-UHFFFAOYSA-N,2,1,0.517,65,981,418.486,2.973,5,0.418,0.77,1.0,0.3867538208484682,0.3466863134809129,0.10276026317593037,0.06757590295387568,0.22594407511479678
EOS-2-36920,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cc(C)n(C)n5)nc4)n23)sn1,HFQUCPMZPAFBCG-UHFFFAOYSA-N,2,1,0.556,92,283,418.486,3.239,5,0.432,0.61,1.0,0.29527619765608937,0.20071448152971008,0.07659687478582689,0.04202933315057227,0.15365422178054963
EOS-2-36921,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccs5)n34)c2)nn1C,AXNIUDYYYPUJGV-UHFFFAOYSA-N,2,1,0.593,87,349,418.486,2.973,5,0.418,0.72,1.0,0.4106641080117881,0.24583647453909943,0.0407699952025221,0.03284558974710438,0.1825290418751285
EOS-2-36922,CCn1ccc(-c2ccc(-c3nnc4cncc(OCc5csc(C)n5)n34)cn2)n1,GIPZSMWGDDKAGP-UHFFFAOYSA-N,2,1,0.444,92,464,418.486,3.414,5,0.417,0.78,1.0,0.2521331642793503,0.26624288945240215,0.06598245493797547,0.03608388732780481,0.15511059899938318
EOS-2-36923,CCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5nccs5)n34)c2)cn1,HIXMHVKTQTVMAI-UHFFFAOYSA-N,2,1,0.506,18,711,418.486,3.148,5,0.401,0.71,1.0,0.2135905695291618,0.10913405523953122,0.06395209375642519,0.04997943938044,0.10916403947638956
EOS-2-36924,CCn1cnc(-c2cnc(-c3nnc4cncc(OCCc5cccs5)n34)cn2)c1,YSOBSNHNXAGQHF-UHFFFAOYSA-N,2,1,0.494,31,828,418.486,3.148,5,0.401,0.66,0.999,0.4404427386745254,0.2608885614419848,0.07240764855047632,0.05813515180590775,0.20796852511822359
EOS-2-36925,CCn1cc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccn2)cn1,SYPQIIYMIMJDCF-UHFFFAOYSA-N,2,1,0.494,92,860,418.486,3.414,5,0.417,0.78,1.0,0.1414998971969022,0.1621461860050716,0.07660544171064355,0.045850181618806114,0.10652542663285587
EOS-2-36926,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(C)n5C)s4)n23)cn1,QPDHBWGLYRJSHM-UHFFFAOYSA-N,2,1,0.471,36,185,418.486,3.239,5,0.432,0.7,1.0,0.3080152148584744,0.30224967445685696,0.045404701528339385,0.03285415667192105,0.17213093687889794
EOS-2-36927,Cc1csc(COc2cncc3nnc(-c4cccc(-c5nc(C)nn5C)c4)n23)n1,VXNJQSGMFPQDKL-UHFFFAOYSA-N,2,1,0.512,36,506,418.486,3.239,5,0.432,0.73,1.0,0.20831334384209443,0.16999348913713933,0.03518436022205469,0.02104036734973614,0.10863289013775614
EOS-2-36928,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5nccs5)n34)c2)cn1,NTYPFULPVKBUIC-UHFFFAOYSA-N,2,1,0.558,87,349,418.486,3.148,5,0.401,0.7,1.0,0.2706976903570694,0.1746024946885066,0.08595195668562813,0.06758446987869235,0.14970915290247414
EOS-2-36929,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4nc(C)cs4)n23)c1,CBOSXYOYDUZLHX-UHFFFAOYSA-N,2,1,0.424,92,905,418.486,3.414,5,0.417,0.71,1.0,0.22758035775478033,0.15830820368720444,0.10019018573093003,0.06420910150092522,0.13757196216846002
EOS-2-36930,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cncs4)n23)c1,GHJOFKWLVKAUJD-UHFFFAOYSA-N,2,1,0.455,65,905,418.486,3.148,5,0.401,0.66,0.999,0.32324720718250977,0.170002056061956,0.1334898224933178,0.10365979028168049,0.18259971900486602
EOS-2-36931,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5nccn5C)n34)c2)s1,GXWVUYPLVVUZRY-UHFFFAOYSA-N,2,1,0.446,65,349,418.486,2.973,5,0.418,0.64,1.0,0.3406466314851621,0.19594270440682612,0.07661400863546021,0.05243814680282366,0.16641037283256802
EOS-2-36932,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncs4)n23)cc1,IBCMOZYXJRBQCN-UHFFFAOYSA-N,2,1,0.558,15,187,418.486,3.148,5,0.401,0.59,1.0,0.5469296141457063,0.36590192584469877,0.07662257556027688,0.07313583715989308,0.2656474881776437
EOS-2-36933,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cn2)cn1,INAUBOQSHYHPGS-UHFFFAOYSA-N,2,1,0.444,92,860,418.486,3.414,5,0.417,0.73,1.0,0.18318655335480777,0.22538722500171338,0.07241621547529299,0.04320300185045576,0.13104824892056746
EOS-2-36934,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5nc(C)cs5)n34)c2)cn1,UDAPKFCHQKJZDB-UHFFFAOYSA-N,2,1,0.411,92,711,418.486,3.414,5,0.417,0.77,1.0,0.10408813652251388,0.10567301761359742,0.07450654513055993,0.04585874854362278,0.0825316119525735
EOS-2-36935,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)c2)ccn1,QPJISABNEYMWNT-UHFFFAOYSA-N,2,1,0.483,41,78,481.516,5.09,6,0.306,0.72,1.0,0.8571722294565143,0.7355732986087314,0.7421955314920157,0.6910852580357755,0.7565065793982592
EOS-2-36936,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1-c1ccsc1,HDZMEWUBSPSSPB-UHFFFAOYSA-N,2,1,0.424,28,363,481.516,5.09,6,0.327,0.69,1.0,0.7121513261599616,0.697878829415393,0.48056164759098075,0.5033239668288672,0.5984789424988006
EOS-2-36937,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)s5)n34)cc2)c1,SOGUTZDXTLRDRN-UHFFFAOYSA-N,2,1,0.511,40,25,481.516,5.09,6,0.327,0.71,1.0,0.8506356658213967,0.8415632924405455,0.6193629634706326,0.612826399835515,0.7310970803920225
EOS-2-36938,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cc1-c1ccsc1,SBUUSCANDYYSPR-UHFFFAOYSA-N,2,1,0.511,28,414,481.516,5.09,6,0.327,0.67,1.0,0.7487920636008498,0.7536238091974505,0.6103419916386814,0.60024158727983,0.678249862929203
EOS-2-36939,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cn5)n34)cn2)cn1,GFGWIUDQVRYRDT-UHFFFAOYSA-N,2,1,0.506,41,592,481.516,5.09,6,0.306,0.65,1.0,0.5767082448084435,0.6440014392433692,0.7109862243848948,0.6706788431224727,0.6505936878897951
EOS-2-36940,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)cc2)nc1,TWXYXXSBTRQKSE-UHFFFAOYSA-N,2,1,0.483,40,120,481.516,5.09,6,0.327,0.7,1.0,0.7185251182235625,0.6782777054348571,0.6402234253992187,0.6300116510177507,0.6667594750188472
EOS-2-36941,Fc1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)s1,AKKNKXKKUBWPFL-UHFFFAOYSA-N,2,1,0.583,41,592,481.516,5.09,6,0.327,0.72,1.0,0.6572973065588377,0.6587793845521211,0.6490730587348366,0.5944503461037626,0.6399000239873895
EOS-2-36942,Fc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nc1,ROHUPSCCNVHZCQ-UHFFFAOYSA-N,2,1,0.483,12,285,481.516,5.09,6,0.327,0.69,1.0,0.6250856692481667,0.7214892742101295,0.4194966074977726,0.5166969364676856,0.5706921218559386
EOS-2-36943,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)ccc1-c1csnn1,AEVBJTIPYSJJGN-UHFFFAOYSA-N,2,1,0.565,77,323,481.516,5.09,6,0.327,0.75,1.0,0.715338222191762,0.6012781851826469,0.744662805839216,0.7321036940579809,0.6983457268179014
EOS-2-36944,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)nc5)n34)cc2)nc1,GUGBYCJWEIBKPO-UHFFFAOYSA-N,2,1,0.542,28,120,481.516,5.09,6,0.327,0.69,1.0,0.927480981426907,0.7308443561099308,0.693004249194709,0.6533051195942704,0.7511586765814543
EOS-2-36945,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccs5)cn4)n23)cc1,AJVQTIZCHSFSJZ-UHFFFAOYSA-N,2,1,0.565,41,120,481.516,5.09,6,0.327,0.72,1.0,0.7247447056404633,0.6978873963402097,0.6131433760537317,0.5852152011513947,0.6552476697964498
EOS-2-36946,COc1cc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1nccn1C,TVKHBLWBUYYZJB-UHFFFAOYSA-N,2,1,0.634,4,248,418.482,3.841,5,0.417,0.74,1.0,0.397642382290453,0.29735796038653967,0.3797289424988006,0.24146734288259886,0.329049157014598
EOS-2-36947,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2O)cn1,NXZQMYNKGDESDC-UHFFFAOYSA-N,2,1,0.525,15,545,418.482,3.58,5,0.453,0.61,1.0,0.44990919059694334,0.35639263929819753,0.4735453361661298,0.3745802206839833,0.4136068466863135
EOS-2-36948,COc1cc(-c2ccn(C)n2)ccc1-c1nnc2cncc(OCc3ccsc3)n12,MFUHRRFFGYOZKU-UHFFFAOYSA-N,2,1,0.455,16,375,418.482,3.841,5,0.417,0.71,1.0,0.33341614693989446,0.1827753409636077,0.4768693029949969,0.3107052292509081,0.32594150503735175
EOS-2-36949,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)s6)cn5)n34)c(F)c2)nn1,VYOCOGOBEVXGOG-UHFFFAOYSA-N,2,1,0.346,3,424,481.52,4.585,6,0.36,0.61,1.0,0.19423788636830924,0.3515009252278802,0.312410047289425,0.3198718388047426,0.2945051744225893
EOS-2-36950,c1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(CN6CCOCC6)nc5)nc4)n23)nc1,RVSVMIXCBTULLG-UHFFFAOYSA-N,2,1,0.511,87,282,481.52,2.45,6,0.343,0.82,1.0,0.22467617024192996,0.01172812007401823,0.007795901583167706,0.018281817558769103,0.06562050236447124
EOS-2-36951,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnc6ccccc6c5)cc4)n23)c1,RZQZUBZCTAINFE-UHFFFAOYSA-N,2,1,0.294,93,228,481.523,4.864,7,0.354,0.8,1.0,0.13879274895483518,0.1252655746693167,0.4940459872524159,0.5852237680762113,0.33583201973819476
EOS-2-36952,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc7ccccn67)c5)n34)cc2)cn1,NMMXMUGCBMRNMC-UHFFFAOYSA-N,2,1,0.338,69,220,481.523,4.933,7,0.351,0.67,1.0,0.13355835789185114,0.08336474539099445,0.47355390309094647,0.49654752929888285,0.29675613391816874
EOS-2-36953,CS(=O)(=O)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)c(F)c4)n23)nc1,HMVXSDPVGDNNNF-UHFFFAOYSA-N,2,1,0.585,97,744,481.534,4.036,5,0.361,0.73,1.0,0.5342334315674045,0.6587879514769378,0.6012524844081968,0.5973716674662464,0.5979113837296963
EOS-2-36954,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)n[nH]1,JHQCQVQJFWNGIC-UHFFFAOYSA-N,2,1,0.3,3,668,418.464,4.343,6,0.46,0.74,1.0,0.011856623946268248,0.053680350901240494,0.5457987800699061,0.5367435405386882,0.2870198238640258
EOS-2-36955,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc[nH]5)cc4)n23)cn1,UIMRWALOGRAREZ-UHFFFAOYSA-N,2,1,0.291,38,762,418.464,4.249,6,0.462,0.71,1.0,0.13880131587965183,0.0654941402234254,0.5118309231718182,0.5135186073607018,0.3074112466588993
EOS-2-36956,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,XWBQDOJFCVULNQ-UHFFFAOYSA-N,2,1,0.262,30,195,418.464,4.045,6,0.432,0.73,0.761,0.00029127544376670553,0.004035021588650538,0.29792337742443975,0.38097971352203414,0.17080734699472278
EOS-2-36957,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,VRUJYAJYSLZBMK-UHFFFAOYSA-N,2,1,0.342,3,668,418.464,4.045,6,0.432,0.71,1.0,0.02577787677335344,0.020346446439586045,0.4805702145157974,0.47230313206771296,0.24974941744911244
EOS-2-36958,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,IQDQIAISPAYLQA-UHFFFAOYSA-N,2,1,0.329,9,98,418.464,4.249,6,0.462,0.72,1.0,0.1528682064286204,0.05752690014392434,0.562281543417175,0.5466897402508396,0.32984159756013987
EOS-2-36959,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)cc1,YNDXZXCVNFLDTK-UHFFFAOYSA-N,2,1,0.338,69,898,418.46,5.119,6,0.397,0.73,1.0,0.18593653622095813,0.049902337057089984,0.7008772531012268,0.6795370433829073,0.40406329244054556
EOS-2-36960,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)cc5)n34)cc2)cn1,ZXTBYJNEJJHDAM-UHFFFAOYSA-N,2,1,0.314,69,898,418.46,5.119,6,0.397,0.78,1.0,0.09657494345829622,0.053688917826057156,0.7880371461860051,0.7607086560208347,0.4247524158727983
EOS-2-36961,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnc5)cc4)n23)cc1,KQNKLHYEWVZHJQ-UHFFFAOYSA-N,2,1,0.768,91,883,418.46,4.346,5,0.407,0.82,1.0,0.9828661503666644,0.9658608046055788,0.8512010828592969,0.8258515523267768,0.9064448975395792
EOS-2-36962,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,MBSQHRCFMHGXRQ-UHFFFAOYSA-N,2,1,0.718,91,883,418.46,4.346,5,0.407,0.82,1.0,0.9752672880542801,0.9552292509080941,0.8512096497841135,0.8258601192515934,0.9018915769995203
EOS-2-36963,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c(-c2ccccc2)n1,OWDWTHTVVSCEGJ-UHFFFAOYSA-N,2,1,0.357,69,220,418.46,5.119,6,0.397,0.84,1.0,0.08444417791789459,0.04991090398190665,0.6193715303954492,0.6447638955520526,0.3496226269618258
EOS-2-36964,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc1,MSPIFVNUULPLAC-UHFFFAOYSA-N,2,1,0.61,79,198,418.46,4.346,5,0.407,0.81,1.0,0.8825217599890344,0.77486121581797,0.7796586937153039,0.7731221300801864,0.8025409499006236
EOS-2-36965,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)o1,UQEQFNOYEXSCIT-UHFFFAOYSA-N,2,1,0.385,93,651,418.46,5.119,6,0.397,0.8,1.0,0.12798985676101707,0.08668871221986156,0.6767956274415736,0.6765985881707902,0.39201819614831057
EOS-2-36966,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)c2)cn1,WOJBTHIXXKLMRB-UHFFFAOYSA-N,2,1,0.311,69,98,418.46,5.119,6,0.397,0.71,1.0,0.11447981632513193,0.03276848742375437,0.7771571516688369,0.7554314303337674,0.4199592214378727
EOS-2-36967,COc1cccc(-c2nnc3cncc(-c4c(-c5ccccc5)nn5ccccc45)n23)c1,GSUSHTFEVVGDON-UHFFFAOYSA-N,2,1,0.349,30,220,418.46,4.782,6,0.412,0.74,1.0,0.16634397916523885,0.14657151668836954,0.5758172846275101,0.6063926392981975,0.373781354944829
EOS-2-36968,COc1nc(-c2ccsc2)ccc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,YUOCEJFNLMRODQ-UHFFFAOYSA-N,2,1,0.436,40,763,481.541,4.893,6,0.346,0.57,1.0,0.757376122267151,0.46680316633541225,0.497575560276883,0.3809882804468508,0.5256857823315743
EOS-2-36969,Cc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnoc5C)s4)n23)cn1,XYZLBWQIRVPVJC-UHFFFAOYSA-N,2,1,0.423,81,218,481.541,5.161,6,0.321,0.64,0.993,0.37762147899390036,0.3944811870331026,0.28338530601055445,0.2591066410801179,0.32864865327941883
EOS-2-36970,COc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)ccc1-c1nccs1,AAXUQQNYTMSWNK-UHFFFAOYSA-N,2,1,0.457,77,933,481.541,4.688,6,0.327,0.75,1.0,0.42437118771845656,0.2765574669316702,0.597868549105613,0.4407682818175588,0.4348913713933247
EOS-2-36971,COc1c(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)ccc(F)c1C,PXBKKZPBPPAFDT-UHFFFAOYSA-N,2,1,0.358,96,697,418.457,4.433,5,0.43,0.76,1.0,0.27316496470426976,0.3659104927695154,0.6656586251799054,0.6002501542046467,0.4762460592145843
EOS-2-36972,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccccn5)n34)ccc2F)cs1,WVFJVPJNGQYFGZ-UHFFFAOYSA-N,2,1,0.675,4,92,418.457,4.336,5,0.423,0.69,1.0,0.6335926255911178,0.7169830717565623,0.5590689466109245,0.5135271742855184,0.6057929545610308
EOS-2-36973,Fc1cccnc1CCOc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,LTJFEMXUHSVCQF-UHFFFAOYSA-N,2,1,0.529,75,496,418.457,4.07,5,0.414,0.77,1.0,0.7093242409704612,0.6489873894866699,0.48758652594064833,0.49966588993214994,0.5863910115824823
EOS-2-36974,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ccn2)cc1F,VUPVNDVFAUZSRB-UHFFFAOYSA-N,2,1,0.512,75,496,418.457,4.336,5,0.423,0.78,1.0,0.6939637447741759,0.6204937975464327,0.6604670687410047,0.5881793571379618,0.6407759920498938
EOS-2-36975,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5nccs5)n34)c2)nc1,FIFALIZQSQXCQX-UHFFFAOYSA-N,2,1,0.612,11,275,418.457,4.07,5,0.414,0.8,1.0,0.8004591871701734,0.712502570077445,0.42704406826125696,0.4660578438763621,0.6015159173463094
EOS-2-36976,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccs5)n34)c2)nn1,RTMADEYIWAOONS-UHFFFAOYSA-N,2,1,0.619,72,628,418.457,4.07,5,0.414,0.77,1.0,0.9262130765540402,0.8857514906449181,0.5011394010006168,0.5033325337536838,0.7041091254883147
EOS-2-36977,Fc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1ccnnc1,VGOHMRLSFLFVEO-UHFFFAOYSA-N,2,1,0.593,35,202,418.457,4.07,5,0.414,0.69,1.0,0.8640000685353986,0.8449215269686793,0.7008858200260435,0.6881639366732918,0.7744928380508532
EOS-2-36978,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncs5)n34)c2)nc1,WSLIIAXRXPCVHN-UHFFFAOYSA-N,2,1,0.565,35,201,418.457,4.07,5,0.414,0.8,1.0,0.7806010554451374,0.7214978411349462,0.5190442738674526,0.539998971969022,0.6402855356041396
EOS-2-36979,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)cn3)n12,IKMDXLRBKXVCFQ-UHFFFAOYSA-N,2,1,0.471,18,699,418.457,4.07,5,0.414,0.75,1.0,0.5913234185456788,0.6344835857720512,0.46667466246316225,0.49655609622369956,0.547259440751148
EOS-2-36980,Fc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ccsc1,KCXYXYANHBDGPL-UHFFFAOYSA-N,2,1,0.55,20,846,418.457,4.07,5,0.414,0.73,1.0,0.852845932424097,0.8449300938934959,0.5914776231923788,0.6095195668562813,0.7246933040915632
EOS-2-36981,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)ccn2)s1,DGAYVIXKFLQQSN-UHFFFAOYSA-N,2,1,0.573,97,183,418.457,4.336,5,0.423,0.81,1.0,0.7457765060653828,0.634492152696868,0.5882136248372284,0.5596857651977246,0.632042012199301
EOS-2-36982,Fc1cncc(-c2ncccc2-c2nnc3cncc(OCCc4ccsc4)n23)c1,OBSYRSMBPFHANH-UHFFFAOYSA-N,2,1,0.506,35,619,418.457,4.07,5,0.414,0.61,0.997,0.7665084641217189,0.7536323761222672,0.5045490370776506,0.5231135631553697,0.6369508601192516
EOS-2-36983,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)nn1,GTZMKSYXCVTMMT-UHFFFAOYSA-N,2,1,0.543,72,628,418.457,4.07,5,0.414,0.77,1.0,0.8269224179288602,0.7619936947433349,0.5590775135357412,0.54997943938044,0.6744932663970941
EOS-2-36984,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2)s1,AQGAYGJJQJUHDO-UHFFFAOYSA-N,2,1,0.636,43,909,418.457,4.336,5,0.423,0.79,1.0,0.8640086354602152,0.8120673702967582,0.5458073469947228,0.5436484819409225,0.6913829586731547
EOS-2-36985,Fc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1cncnc1,LOSVGJXGLGNIDJ-UHFFFAOYSA-N,2,1,0.593,35,215,418.457,4.07,5,0.414,0.66,1.0,0.8788122815434172,0.8638030292646152,0.6983671441299432,0.679545610307724,0.7801320163114249
EOS-2-36986,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)nn1,HTINJAYAZKFXDJ-UHFFFAOYSA-N,2,1,0.542,19,691,418.457,4.07,5,0.414,0.81,1.0,0.7216177780823796,0.6489959564114866,0.487595092865465,0.5499880063052567,0.602049208416147
EOS-2-36987,Fc1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1cnccn1,ANIAQUKJAAQUQG-UHFFFAOYSA-N,2,1,0.588,35,426,418.457,4.07,5,0.414,0.69,1.0,0.9182886710986224,0.8664159413336988,0.6369594270440683,0.6243232129394832,0.7614968131039682
EOS-2-36988,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)n1,RGBYKXFNQDOINB-UHFFFAOYSA-N,2,1,0.578,11,922,418.457,4.07,5,0.387,0.69,1.0,0.8899664176547186,0.8608645740524982,0.5458159139195394,0.5301470084298541,0.7066984785141526
EOS-2-36989,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nccs5)n4)n23)cc1,ZOKQHJSULPCUEN-UHFFFAOYSA-N,2,1,0.5,81,609,481.545,4.167,6,0.334,0.62,1.0,0.3705966006442327,0.2870005482831883,0.12757007744500035,0.11006785004454801,0.22380876910424236
EOS-2-36990,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)ns4)n23)cc1,NQXPHNJSJNUYEG-UHFFFAOYSA-N,2,1,0.453,67,857,481.545,4.167,6,0.334,0.6,1.0,0.3429340004112124,0.27656603385648687,0.0745151120553766,0.08564354739222808,0.194914673428826
EOS-2-36991,Cn1cnnc1-c1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)s1,PKCAHEPVIFDCPB-UHFFFAOYSA-N,2,1,0.523,15,201,481.545,3.727,6,0.339,0.68,1.0,0.44991775752176,0.3515094921526969,0.12235282023164964,0.12828969912960045,0.26301744225892676
EOS-2-36992,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6csc(C)n6)nc5)n34)nc2)n1,BAXICKSAAIOCFC-UHFFFAOYSA-N,2,1,0.34,6,318,481.545,4.514,6,0.354,0.72,1.0,0.3729011034199164,0.2509252278802001,0.15799122746898772,0.09523850318689603,0.21926401548900004
EOS-2-36993,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6nccc6C)cn5)n34)cc2)s1,FKZHSRUYPZLZGB-UHFFFAOYSA-N,2,1,0.5,81,932,481.545,4.086,6,0.35,0.64,1.0,0.2246847371667466,0.22005003084092933,0.17065314234802276,0.1194914673428826,0.18371984442464534
EOS-2-36994,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cscn6)n5)n34)cn2)cn1,AMEKMCRUXZZKRR-UHFFFAOYSA-N,2,1,0.448,6,297,481.545,4.167,6,0.334,0.68,1.0,0.21634911932012885,0.24584504146391611,0.19370673702967584,0.14396717154410252,0.19996701733945585
EOS-2-36995,Cc1ccc(-c2nccc(-c3nnc4cncc(Oc5ccc(-c6cnc(C)n6C)cn5)n34)n2)s1,NCCRYRILBLCRDY-UHFFFAOYSA-N,2,1,0.288,6,318,481.545,4.514,6,0.354,0.62,0.997,0.4018573093002536,0.24585360838873277,0.14270783359605235,0.08565211431704475,0.21901771640052087
EOS-2-36996,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnn(C)c6)n5)n34)cc2)cs1,ACBPEDMKVHHBPG-UHFFFAOYSA-N,2,1,0.451,40,350,481.545,3.993,6,0.351,0.69,1.0,0.2979062435748064,0.2973665273113563,0.25735898841751764,0.1838633404153245,0.2591237749297512
EOS-2-36997,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnn(C)c6)nc5)n34)cc2)s1,ALEDDBJVWLGWRK-UHFFFAOYSA-N,2,1,0.547,81,2,481.545,3.993,6,0.351,0.66,1.0,0.3232557741073264,0.22539579192653006,0.2539921869645672,0.1783805085326571,0.24525606538277017
EOS-2-36998,CCn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)s2)nn1,CLAAMSKHTOVQAS-UHFFFAOYSA-N,2,1,0.388,28,363,481.545,4.167,6,0.334,0.57,0.999,0.10409670344733055,0.15454732369268728,0.08596052361044479,0.10560448221506408,0.11255225824138167
EOS-2-36999,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5ncccn5)n4)n23)cc1,QOTOQUAYQJFIET-UHFFFAOYSA-N,2,1,0.473,40,8,481.545,4.167,6,0.334,0.64,1.0,0.3798917140703173,0.3271108902748269,0.0951956685628127,0.07314440408470975,0.2188356692481667
EOS-2-37000,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)cc1,XBZHNWGKMWFKLJ-UHFFFAOYSA-N,2,1,0.457,71,415,481.545,4.167,6,0.334,0.7,1.0,0.3284558974710438,0.23526488931533138,0.139855047632102,0.13266739771091768,0.20906080803234872
EOS-2-37001,COc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3ccc(-c4nc(C)nn4C)cc3)n12,VLJODDKXBGFVJX-UHFFFAOYSA-N,2,1,0.345,9,340,481.545,4.089,6,0.362,0.69,1.0,0.1114299910903982,0.04991947090672332,0.19026283325337537,0.1369765608937016,0.12214721403604961
EOS-2-37002,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6cccnc6)n5)n34)cc2)n1C,MCDLOKDSGUUWCG-UHFFFAOYSA-N,2,1,0.512,40,609,481.545,3.993,6,0.351,0.73,1.0,0.31080803234870813,0.3177301076005757,0.09780858063189637,0.08402439860187787,0.20259277979576448
EOS-2-37003,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnnn6C)cn5)n34)cc2)s1,TVTGJBKWHOYXOB-UHFFFAOYSA-N,2,1,0.534,40,415,481.545,3.993,6,0.351,0.67,1.0,0.3660389966417655,0.3316770612021109,0.20783359605236104,0.18936330614762525,0.2737282400109657
EOS-2-37004,Cc1c(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)s2)cnn1C,VPZRYQXCWJZLGL-UHFFFAOYSA-N,2,1,0.451,40,415,481.545,3.993,6,0.351,0.64,1.0,0.20260777191419369,0.2765746007813035,0.11342608457268179,0.11950003426769927,0.17802712288396957
EOS-2-37005,Cc1nn(C)cc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)n1,WGVAYHPFLABSCZ-UHFFFAOYSA-N,2,1,0.451,6,843,481.545,3.993,6,0.351,0.61,0.872,0.18031663354122404,0.13196490987595094,0.127578644369817,0.10140668905489686,0.13531671921047222
EOS-2-37006,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5ccncc5)n4)n23)cn1,QLEVOZDRBZJPCA-UHFFFAOYSA-N,2,1,0.446,6,843,481.545,3.993,6,0.351,0.72,1.0,0.2135991364539785,0.23527345624014803,0.16758618326365568,0.11950860119251594,0.18399184428757454
EOS-2-37007,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)s1,GRIQJPNDXCSCNX-UHFFFAOYSA-N,2,1,0.448,65,349,418.446,1.529,5,0.422,0.5,1.0,0.4312418614214242,0.3022582413816736,0.06396066068124186,0.04998800630525666,0.2118621924473991
EOS-2-37008,Cn1nc(-c2nnc3cncc(OCCc4cncs4)n23)cc1-c1ncc(C#N)[nH]1,QZSIHEIWVMIACB-UHFFFAOYSA-N,2,1,0.418,31,569,418.446,1.865,5,0.441,0.45,0.995,0.3232643410321431,0.08977280515386198,0.04863443218422315,0.051170241929956825,0.12821045507504625
EOS-2-37009,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncnn5)n34)cn2)s1,KLNIMRNDTMKOOS-UHFFFAOYSA-N,2,1,0.457,53,779,418.446,1.82,5,0.402,0.68,1.0,0.4933863340415324,0.43170447536152423,0.012165033239668289,0.010460215201151394,0.2369290144609691
EOS-2-37010,Oc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3)n12,SFJUDNNKJDNCGD-UHFFFAOYSA-N,2,1,0.469,65,981,418.442,2.427,5,0.442,0.61,0.999,0.31600815571242546,0.29234630936878897,0.1579997943938044,0.13698512781851827,0.22583484682338428
EOS-2-37011,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5sncc5O)n34)cn2)n1,VSXMMFPVMISAGY-UHFFFAOYSA-N,2,1,0.455,7,85,418.442,2.693,5,0.458,0.58,0.999,0.3867623877732849,0.34669488040572954,0.09781714755671304,0.07113117675279282,0.22560139812213006
EOS-2-37012,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)cc1,JFGFRHNUPBLPMB-UHFFFAOYSA-N,2,1,0.529,72,226,418.442,2.171,5,0.442,0.71,1.0,0.4151617435405387,0.38041429648413405,0.20420978685491056,0.19218182441230897,0.29799191282297305
EOS-2-37013,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)cc1=O,GAPQEYXUGSDYJX-UHFFFAOYSA-N,2,1,0.449,55,600,418.442,1.982,5,0.426,0.63,1.0,0.29791481049962304,0.1913165650058255,0.11071893633061476,0.09328524432869577,0.17330888904118977
EOS-2-37014,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)c4)n23)cn1,DAJJUQJUJSQRPZ-UHFFFAOYSA-N,2,1,0.558,26,847,418.436,2.686,5,0.421,0.73,1.0,0.5469381810705229,0.5580580494825578,0.4561544787882941,0.38099684737166745,0.48553688917826054
EOS-2-37015,Cn1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncn5C)c4)n23)n1,UMGNLNFMTGLLMT-UHFFFAOYSA-N,2,1,0.506,26,125,418.436,2.686,5,0.421,0.73,1.0,0.5212202727708861,0.5580666164073744,0.3797375094236173,0.3228616955657597,0.4454715235419094
EOS-2-37016,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2C)cn1,NYICRPVSCVSAFB-UHFFFAOYSA-N,2,1,0.506,65,904,418.436,2.686,5,0.421,0.63,1.0,0.3682492632444658,0.32711945719964364,0.5045576040024673,0.40919916386813787,0.40228137207867865
EOS-2-37017,Cn1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncn5C)c4)n23)cn1,KROOOSIYJJOICJ-UHFFFAOYSA-N,2,1,0.553,26,847,418.436,2.686,5,0.421,0.73,1.0,0.5469467479953396,0.5769395517784935,0.4594784456171613,0.38718216708930164,0.492636728120074
EOS-2-37018,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccnn5C)n34)ccc2F)cn1,DJPHPGPMSWAOKS-UHFFFAOYSA-N,2,1,0.477,36,394,418.436,3.126,5,0.421,0.71,1.0,0.3821619491467343,0.4984493866081831,0.4120176821328216,0.3292440545541772,0.4054682681104791
EOS-2-37019,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c5)c(F)c4)n23)cn1,MWEZVIHHZNTMFM-UHFFFAOYSA-N,2,1,0.608,92,847,418.436,2.686,5,0.421,0.8,1.0,0.622344253306833,0.6881810705229251,0.47687786991981357,0.39653724898910286,0.5459851106846686
EOS-2-37020,Cn1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)c5)c4)n23)cn1,WKGPMLYLLXSJIF-UHFFFAOYSA-N,2,1,0.603,92,847,418.436,2.686,5,0.421,0.75,1.0,0.6606726749366048,0.7125111370022617,0.4839798505928312,0.4092077307929546,0.5665928483311631
EOS-2-37021,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnn5C)n34)c(F)c2)cn1,LJFSACPZNMCYOD-UHFFFAOYSA-N,2,1,0.536,37,460,418.436,2.686,5,0.421,0.75,1.0,0.49339490096634914,0.5580751833321911,0.39821636625316975,0.3292526214789939,0.444734768007676
EOS-2-37022,Cn1cncc1CCOc1cncc2nnc(-c3cc(-c4ccc(F)cc4)n(C)n3)n12,SBFMQJWQLPXCHO-UHFFFAOYSA-N,2,1,0.472,95,835,418.436,2.686,5,0.421,0.77,0.994,0.39984408196833665,0.40872798300322116,0.2683160852580358,0.27117743814680284,0.3370163970940991
EOS-2-37023,CSc1snnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cn1,ZHMHJBRMHYBTLV-UHFFFAOYSA-N,2,1,0.367,42,50,481.57,4.551,6,0.328,0.64,1.0,0.0552737989171407,0.08669727914467823,0.19027140017819202,0.2267922006716469,0.13975866972791445
EOS-2-37024,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)cn1,IDSUOISAABDMAE-UHFFFAOYSA-N,2,1,0.286,42,154,418.424,3.095,6,0.463,0.66,1.0,0.14150846412171886,0.1659841683229388,0.37591666095538345,0.3779298882873004,0.26533479542183536
EOS-2-37025,c1cc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cn4)n23)c1,DBVHJZAOOSQKFT-UHFFFAOYSA-N,2,1,0.236,94,171,418.424,3.095,6,0.463,0.6,1.0,0.07591152080049346,0.11215817969981495,0.34546981015694606,0.3712990884791995,0.2262096497841135
EOS-2-37026,c1cncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6c[nH]nn6)nc5)n34)cc2)c1,SRTGEUPWYWICFY-UHFFFAOYSA-N,2,1,0.289,42,106,418.424,3.095,6,0.463,0.66,1.0,0.06801281611952574,0.10914262216434789,0.3198718388047426,0.3617726680830649,0.2146999862929203
EOS-2-37027,c1ccc(-c2cncc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)c2)nc1,JEWMEQTVCCDPAG-UHFFFAOYSA-N,2,1,0.28,70,392,418.424,3.095,6,0.463,0.65,1.0,0.12236138715646631,0.12527414159413336,0.27605201836748683,0.2918408608046056,0.20388210198067303
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EOS-2-37077,c1cc(-c2cnco2)cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,CHTDOQXJMJTSQX-UHFFFAOYSA-N,2,1,0.306,42,327,418.42,3.965,6,0.423,0.75,1.0,0.1832036872044411,0.08978137207867863,0.49405455417723254,0.48454526763073125,0.31289622027277086
EOS-2-37078,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)cn2)cc1,XWEQIDFFGWSFON-UHFFFAOYSA-N,2,1,0.379,42,106,418.42,3.965,6,0.423,0.75,1.0,0.1803252004660407,0.11216674662463162,0.3759252278802001,0.39071174011376875,0.2647822287711603
EOS-2-37079,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)cn1,QKANMBXWDSLLHJ-UHFFFAOYSA-N,2,1,0.314,9,894,418.42,3.965,6,0.423,0.72,1.0,0.17720683983277363,0.15456445754232062,0.588222191762045,0.5756545130559935,0.3739120005482832
EOS-2-37080,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)cc2)cn1,ZFOHJVPQZPLBKA-UHFFFAOYSA-N,2,1,0.348,42,983,418.42,3.965,6,0.423,0.7,1.0,0.16367966554725516,0.12165033239668288,0.5255465698033034,0.4965646631485162,0.32686030772393937
EOS-2-37081,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cn5)n34)nc2)nc1,FPDARUBIXJDWLW-UHFFFAOYSA-N,2,1,0.349,32,687,418.42,3.965,6,0.423,0.74,1.0,0.10892844904393119,0.10238331848399698,0.3417174970872456,0.345289904735796,0.22457979233774245
EOS-2-37082,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)o2)cc1,SCOGEQGSXAJPEV-UHFFFAOYSA-N,2,1,0.357,93,641,418.42,3.965,6,0.423,0.84,1.0,0.15555822082105408,0.14658865053800288,0.3759337948050168,0.42505654170379,0.2757843019669659
EOS-2-37083,c1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)c2)cn1,KTLXVXXQPWKDNA-UHFFFAOYSA-N,2,1,0.333,42,327,418.42,3.965,6,0.423,0.71,1.0,0.17445685696662325,0.12530840929340004,0.5118394900966349,0.48128126927558085,0.32322150640805974
EOS-2-37084,c1ccc(-c2nnc(-c3ccc(-c4nnc5cncc(-c6ccncc6)n45)cn3)o2)cc1,CVLYSANPMUVAJG-UHFFFAOYSA-N,2,1,0.319,30,945,418.42,3.965,6,0.423,0.79,0.995,0.15022102666027004,0.1355630182989514,0.31241861421424166,0.3452984716606127,0.23587528270851893
EOS-2-37085,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)nc2)nc1,MNBOQWUXTDDMLT-UHFFFAOYSA-N,2,1,0.349,32,687,418.42,3.965,6,0.423,0.77,1.0,0.07386402576930985,0.07641696936467686,0.3871650332396683,0.39655438283873623,0.2335001028030978
EOS-2-37086,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)o2)cc1,ABEKFCHBRHAOKG-UHFFFAOYSA-N,2,1,0.4,30,733,418.42,3.965,6,0.423,0.82,1.0,0.15823110136385443,0.15048660132958674,0.31989753957919265,0.364891028716332,0.24837656774724148
EOS-2-37087,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cc2)nc1,JOPCCEAMVMKLFV-UHFFFAOYSA-N,2,1,0.315,38,57,418.42,3.965,6,0.423,0.73,1.0,0.12799842368583372,0.12871804537043383,0.43060790898499074,0.44077684874237544,0.2820253066959084
EOS-2-37088,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)cn1,QQPXMCRDEAZMTO-UHFFFAOYSA-N,2,1,0.314,9,894,418.42,3.965,6,0.423,0.72,1.0,0.1772154067575903,0.15457302446713728,0.5882307586868618,0.5756630799808101,0.3739205674730999
EOS-2-37089,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)n5)n34)nc2)cc1,PQSYMJOUKZAHOZ-UHFFFAOYSA-N,2,1,0.288,30,301,418.42,3.965,6,0.423,0.73,0.935,0.12508566924816666,0.09285689808786238,0.30864060037009117,0.37130765540401617,0.2244727057775341
EOS-2-37090,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cc2)cn1,UKOQQFNUKCEBTF-UHFFFAOYSA-N,2,1,0.343,42,57,418.42,3.965,6,0.423,0.78,1.0,0.18033376739085738,0.12165889932149955,0.52555513672812,0.49331779864299913,0.33021640052086904
EOS-2-37091,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cc5)n34)cc2)c1,HNVVPPQSJMYREN-UHFFFAOYSA-N,2,1,0.348,9,867,418.42,3.965,6,0.423,0.77,1.0,0.21360770337879514,0.13557158522376808,0.49759269412651636,0.4996744568569666,0.33661160989651157
EOS-2-37092,COc1cc(-c2nnc3cncc(OCCc4cncn4C)n23)ccc1-c1ncon1,KUKWDJIDKNDQSW-UHFFFAOYSA-N,2,1,0.488,20,604,418.417,2.205,5,0.392,0.67,1.0,0.43125042834624083,0.21504694674799535,0.13986361455691865,0.07113974367760949,0.21432518333219108
EOS-2-37093,COCc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5ccoc5)n34)cn2)n1,ZZFXSZAPXWILCC-UHFFFAOYSA-N,2,1,0.446,65,981,418.417,2.332,5,0.403,0.62,1.0,0.377630045918717,0.22540435885134671,0.08596909053526146,0.06421766842574189,0.18830529093276677
EOS-2-37094,COc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cn(C)cn5)n34)c2)o1,XXJOHXLJZCORKI-UHFFFAOYSA-N,2,1,0.482,15,460,418.417,2.205,5,0.392,0.63,1.0,0.4449832088273593,0.23528202316496472,0.06599102186279213,0.03180042491947091,0.19451416969364677
EOS-2-37095,Cc1cc(-c2nc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)n(C)n2)no1,HPQCPZBQVPMJHL-UHFFFAOYSA-N,2,1,0.506,89,250,418.417,1.955,5,0.44,0.71,0.995,0.41517031046535535,0.2923548762936056,0.04542183537797272,0.03822561853197176,0.19779316016722637
EOS-2-37096,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)cc2)cn1,RBGQOCCHARNHPS-UHFFFAOYSA-N,2,1,0.571,43,623,418.407,4.049,5,0.431,0.74,1.0,0.7691642108148858,0.6978959632650263,0.9008121444726201,0.87512850387225,0.8107502056061957
EOS-2-37097,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccccc4F)n23)c(F)c1,VOERKVKPHNOBIH-UHFFFAOYSA-N,2,1,0.5,43,521,418.407,4.049,5,0.431,0.77,1.0,0.8216109245425263,0.7030189843053938,0.8890326228497019,0.8708450414639161,0.8211268932903845
EOS-2-37098,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cn[nH]c4)c(F)c3)n12,AWCWGIMHRDDKBK-UHFFFAOYSA-N,2,1,0.688,91,273,418.407,4.081,5,0.449,0.76,1.0,0.9542097868549105,0.9115722020423549,0.897565279967103,0.8960489342745528,0.9148490507847303
EOS-2-37099,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)cc1,LHNRPJBHQFIJIO-UHFFFAOYSA-N,2,1,0.562,1,138,418.407,4.494,5,0.406,0.8,1.0,0.7806096223699541,0.5028270851895004,0.9490953327393599,0.9134997601261051,0.7865079501062299
EOS-2-37100,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c(F)c2)cn1,JUZBIZNGHMOZLS-UHFFFAOYSA-N,2,1,0.653,43,623,418.407,4.049,5,0.431,0.84,1.0,0.7976149681310397,0.8001165101775067,0.9139281063669386,0.8931790144609691,0.8512096497841136
EOS-2-37101,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1,CDLYUWKWNIXOIV-UHFFFAOYSA-N,2,1,0.592,1,528,418.407,4.922,5,0.405,0.75,1.0,0.8316170927283942,0.693004249194709,0.9149304365704887,0.869328695771366,0.8272201185662396
EOS-2-37102,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)cc2)cn1,HDPYKONZNBBGQC-UHFFFAOYSA-N,2,1,0.592,43,623,418.407,4.049,5,0.431,0.82,1.0,0.7153467891165787,0.7579158385306011,0.9030738126242204,0.8778870536632171,0.8135558734836543
EOS-2-37103,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,RAPBWTHKUWTTQR-UHFFFAOYSA-N,2,1,0.571,91,273,418.407,4.081,5,0.449,0.67,1.0,0.962682475498595,0.9477845932424097,0.8768333219107669,0.8693372626961826,0.9141594133369886
EOS-2-37104,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)n1,XFPJQXZDDSJVQM-UHFFFAOYSA-N,2,1,0.553,43,146,418.407,4.049,5,0.431,0.8,1.0,0.72475327256528,0.7791446782263038,0.8660818312658488,0.8419231032828456,0.8029757213350697
EOS-2-37105,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1F,IZNAZCBILMXQJF-UHFFFAOYSA-N,2,1,0.598,91,273,418.407,4.081,5,0.449,0.68,1.0,0.9697758892467959,0.9455743266397094,0.8808854773490508,0.8660047289424988,0.9155601055445137
EOS-2-37106,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)n1,ZZSAAEHDBYXWAF-UHFFFAOYSA-N,2,1,0.746,43,96,418.407,4.049,5,0.431,0.76,1.0,0.9018059077513536,0.827547803440477,0.8950808717702693,0.8611815502707149,0.8714040333082037
EOS-2-37107,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1,WXGDNBDDJHDCFQ-UHFFFAOYSA-N,2,1,0.568,43,521,418.407,4.049,5,0.431,0.73,1.0,0.8881673634432184,0.7030275512302104,0.903082379549037,0.8778956205880337,0.8430432287026248
EOS-2-37108,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)c1,MGQJQVCMMYQIOW-UHFFFAOYSA-N,2,1,0.549,43,521,418.407,4.049,5,0.431,0.7,1.0,0.7185336851483791,0.5530635323144404,0.8527259954766637,0.8278219450346104,0.7380362894935234
EOS-2-37109,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,YEFDQGUJZRAQLL-UHFFFAOYSA-N,2,1,0.514,9,121,418.407,4.46,5,0.422,0.76,1.0,0.4568141319991776,0.4984579535329998,0.9063035432801042,0.8738520320745665,0.683856915221712
EOS-2-37110,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1,MPGYJMSKVMXOEX-UHFFFAOYSA-N,2,1,0.736,43,96,418.407,4.049,5,0.431,0.73,1.0,0.952624905763827,0.7748697827427866,0.912086217531355,0.8807826742512508,0.8800908950723049
EOS-2-37111,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cc2)n1,OXFQSSLVOHSUON-UHFFFAOYSA-N,2,1,0.653,43,96,418.407,4.049,5,0.431,0.77,1.0,0.872883969570283,0.8311202110890274,0.8937529984236858,0.8611901171955315,0.8647368240696319
EOS-2-37112,Cn1ccnc1COc1cncc2nnc(-c3cccc(-c4ccc(F)c(F)c4)c3)n12,ONZFYLWGBJEDPI-UHFFFAOYSA-N,2,1,0.506,43,80,418.407,4.049,5,0.431,0.74,1.0,0.682072853128641,0.6345007196216846,0.827830511959427,0.8161709272839421,0.7401437529984237
EOS-2-37113,Cn1cc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c(-c2ccccc2)n1,WLYKMICIQTZOGL-UHFFFAOYSA-N,2,1,0.575,43,96,418.407,4.049,5,0.431,0.75,1.0,0.6112586525940649,0.6930128161195257,0.7902131450894387,0.789613460352272,0.7210245185388253
EOS-2-37114,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)cc2)n1,HVAIEBZLFRVVFI-UHFFFAOYSA-N,2,1,0.557,43,178,418.407,4.049,5,0.431,0.68,1.0,0.8340586663011446,0.7308529230347475,0.8716246316222329,0.8419316702076622,0.8196169727914469
EOS-2-37115,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2)cn1,GKQIGAQLSBMCSJ-UHFFFAOYSA-N,2,1,0.59,43,623,418.407,4.049,5,0.431,0.77,1.0,0.7665170310465356,0.7078164622027278,0.9111524227263381,0.8864882461791516,0.8179935405386882
EOS-2-37116,Cn1cc(COc2cncc3nnc(-c4ccc(F)cc4)n23)c(-c2ccccc2F)n1,WRWXDGMFUPKBTH-UHFFFAOYSA-N,2,1,0.623,43,372,418.407,4.049,5,0.431,0.75,1.0,0.7093328078952779,0.7308614899595641,0.7840106915221712,0.802917894592557,0.7567807209923927
EOS-2-37117,COc1cc(F)ccc1-c1nnc2cncc(-c3cn(C)nc3-c3cccc(F)c3)n12,FFPQFVJVMIMTQY-UHFFFAOYSA-N,2,1,0.381,96,46,418.407,4.146,5,0.439,0.73,1.0,0.2246933040915633,0.4448547049551093,0.8068244123089576,0.7942395997532725,0.5676530052772257
EOS-2-37118,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)cc2)cn1,MDZXHGQYEUJFHJ-UHFFFAOYSA-N,2,1,0.59,43,623,418.407,4.049,5,0.431,0.76,1.0,0.7457850729901995,0.7215064080597628,0.9120947844561716,0.885057569734768,0.8161109588102256
EOS-2-37119,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)ccc2F)cn1,BAZZJUJHSWKWRA-UHFFFAOYSA-N,2,1,0.662,43,623,418.407,4.049,5,0.431,0.78,1.0,0.7806181892947708,0.7620022616681515,0.9121033513809883,0.8931875813857858,0.8369778459324242
EOS-2-37120,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nc2)c1,BQYXWGXRJCEJDC-UHFFFAOYSA-N,2,1,0.618,59,294,418.407,4.049,5,0.431,0.68,1.0,0.8269309848536769,0.6636453978479885,0.9063121102049209,0.879309163182784,0.8190494140223425
EOS-2-37121,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1,ZKIUUNFWVIVCIH-UHFFFAOYSA-N,2,1,0.575,43,178,418.407,4.049,5,0.431,0.74,1.0,0.8316256596532109,0.6782862723596738,0.8950894386950861,0.8626636282639983,0.8169162497429923
EOS-2-37122,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)c1,DKBIJGXMQRCPEP-UHFFFAOYSA-N,2,1,0.523,43,521,418.407,4.049,5,0.431,0.74,1.0,0.7185422520731958,0.5391594133369886,0.8950980056199027,0.8738605989993832,0.7566650675073675
EOS-2-37123,Cc1cn[nH]c1COc1cncc2nnc(-c3cccc(-c4ccc(F)c(F)c4)c3)n12,OOTRUAHPJLHAKK-UHFFFAOYSA-N,2,1,0.494,43,80,418.407,4.347,5,0.459,0.7,1.0,0.6668151600301556,0.7355818655335481,0.8808940442738674,0.8693458296209993,0.7881592248646425
EOS-2-37124,Fc1ccc(F)c(-c2nnc3cncc(OCCc4ccc(-n5ccnc5)cc4)n23)c1,KYVKDOQZWPXNRB-UHFFFAOYSA-N,2,1,0.61,88,70,418.407,3.877,5,0.419,0.72,1.0,0.703010417380577,0.5487715029812898,0.8716331985470496,0.8559128915084642,0.7448320026043451
EOS-2-37125,Cn1cnc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,ZKNCJTVJJMSCBA-UHFFFAOYSA-N,2,1,0.573,43,700,418.407,4.049,5,0.431,0.65,1.0,0.8136693852374751,0.7666883695428689,0.7493831814131999,0.7582242478240011,0.7719912960043863
EOS-2-37126,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)n1,MJEVGZCSGYOVLW-UHFFFAOYSA-N,2,1,0.568,43,178,418.407,4.049,5,0.431,0.76,1.0,0.8390788842437119,0.7536409430470838,0.8879960249468851,0.852768830100747,0.833371170584607
EOS-2-37127,Cc1cn(-c2ccc(COc3cncc4nnc(-c5cccc(F)c5F)n34)cc2)cn1,PDDFMJGJKKHHDZ-UHFFFAOYSA-N,2,1,0.518,43,521,418.407,4.143,5,0.429,0.75,1.0,0.5686553354807758,0.5438540881365225,0.8880045918717018,0.845598314029196,0.7115280823795491
EOS-2-37128,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)cc2)n1,PXUJCOILPQFPPX-UHFFFAOYSA-N,2,1,0.575,43,178,418.407,4.049,5,0.431,0.73,1.0,0.8058392159550408,0.7579244054554177,0.8857429237201014,0.8559214584332808,0.8263570008909602
EOS-2-37129,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)n1,JUVXZDITECZYED-UHFFFAOYSA-N,2,1,0.544,43,80,418.407,4.049,5,0.431,0.69,1.0,0.6280326913851004,0.6979045301898431,0.8660903981906655,0.8473459666917963,0.7598433966143513
EOS-2-37130,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cn1,OQWOZBMUJFIQTH-UHFFFAOYSA-N,2,1,0.542,43,623,418.407,4.049,5,0.431,0.79,1.0,0.639598039887602,0.5769481187033103,0.9083510383112878,0.8793177301076006,0.7510537317524502
EOS-2-37131,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2)n1,VPSJXBYVRREHSO-UHFFFAOYSA-N,2,1,0.575,43,178,418.407,4.049,5,0.431,0.74,1.0,0.8216194914673429,0.7355904324583648,0.8844664519224179,0.8559300253580975,0.8244016003015557
EOS-2-37132,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)cc1,RUXHVJZYFSYQHB-UHFFFAOYSA-N,2,1,0.578,1,676,418.407,4.494,5,0.406,0.77,1.0,0.5629154958536083,0.5346189431841546,0.9186142142416558,0.8779041875128504,0.7235132101980672
EOS-2-37133,Cc1cn(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5F)n34)cc2)cn1,SKSJMMKXHCLAFM-UHFFFAOYSA-N,2,1,0.506,34,671,418.407,4.143,5,0.429,0.76,1.0,0.565734014118292,0.48015900212459733,0.8646511548214653,0.8258686861764101,0.6841032143101912
EOS-2-37134,Cc1nn(-c2ccccc2)cc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,KIGBQHPCXKOBJM-UHFFFAOYSA-N,2,1,0.495,96,121,418.407,4.554,5,0.419,0.83,1.0,0.1144883832499486,0.3271280241244603,0.8541823726954972,0.8299808100884106,0.5314448975395791
EOS-2-37135,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2)cn1,ODFDZCNRHGUNOI-UHFFFAOYSA-N,2,1,0.768,43,96,418.407,4.049,5,0.431,0.78,1.0,0.854961962853814,0.7835909122061545,0.9205332054005894,0.8891439928723186,0.8620575183332191
EOS-2-37136,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-n5cccn5)cc4)n23)cc1F,XRYIARMDYNAFPH-UHFFFAOYSA-N,2,1,0.767,91,781,418.407,3.877,5,0.419,0.73,1.0,0.80046775409499,0.7708004934548695,0.8632290453018985,0.8437735590432458,0.8195677129737511
EOS-2-37137,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)nc1,JUABWQULULVZIJ-UHFFFAOYSA-N,2,1,0.484,31,728,418.396,1.532,5,0.404,0.68,1.0,0.5657425810431088,0.4403313686519087,0.0659995887876088,0.08403296552669454,0.2890266260023302
EOS-2-37138,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)nc1,NPWGPBSHUYWICA-UHFFFAOYSA-N,2,1,0.479,31,728,418.396,1.532,5,0.404,0.71,1.0,0.5572870262490577,0.43629634706325815,0.06797854842025906,0.08943869508601192,0.2877501542046467
EOS-2-37139,COc1nccnc1-c1cncc2nnc(-c3c(-c4ncc(F)cn4)nc(C)n3C)n12,JLMDEHLYTGWHCE-UHFFFAOYSA-N,2,1,0.247,50,206,418.396,1.895,5,0.43,0.56,0.924,0.32588582002604344,0.2662514563772188,0.011119868412034816,0.008018641628401069,0.15281894661092452
EOS-2-37140,N=c1ncc(CCOc2cncc3nnc(-c4cc(F)cc(-c5ncn[nH]5)c4)n23)c[nH]1,MOCQTKKXYYLXIS-UHFFFAOYSA-N,2,1,0.5,37,164,418.396,1.54,5,0.379,0.59,1.0,0.6606812418614214,0.5116595846754849,0.29794051127407306,0.2532211637310671,0.43087562538551155
EOS-2-37141,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cn1,ZCHGKEMYUYZKHK-UHFFFAOYSA-N,2,1,0.5,65,728,418.396,1.532,5,0.378,0.69,1.0,0.5572955931738743,0.5391679802618052,0.08597765746007813,0.09935062709889658,0.3204479644986636
EOS-2-37142,CCn1nnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)n1,JGSVVUKNKBYHRV-UHFFFAOYSA-N,2,1,0.413,92,185,418.396,1.973,5,0.381,0.65,1.0,0.3135237475155918,0.4182201357000891,0.036580768967171544,0.05117880885477349,0.20487586525940646
EOS-2-37143,COc1cc(-c2n[nH]c(C)n2)cc(F)c1-c1cncc2nnc(-c3cnc(=N)[nH]c3)n12,TZVVLJOKSQNCAB-UHFFFAOYSA-N,2,1,0.315,50,859,418.396,1.902,5,0.404,0.65,1.0,0.2813292440545542,0.297375094236173,0.23593310945103146,0.15402474127887053,0.2421655472551573
EOS-2-37144,Cn1nnnc1CCOc1cncc2nnc(-c3ccc(-c4ccc(F)cc4)nn3)n12,DQXQVPHVVDCKAQ-UHFFFAOYSA-N,2,1,0.471,53,44,418.396,1.532,5,0.404,0.77,0.983,0.5009509286546501,0.4317130422863409,0.02800527722568707,0.06934068946610925,0.2575024844081968
EOS-2-37145,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)n1,JOFGFUGLGKPDSI-UHFFFAOYSA-N,2,1,0.516,65,779,418.396,1.532,5,0.404,0.68,1.0,0.557304160098691,0.5116681516003015,0.0859862243848948,0.09722602974436297,0.31304614145706255
EOS-2-37146,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2F)no1,HLPLPXARBZHOQU-UHFFFAOYSA-N,2,1,0.565,65,361,418.392,2.7,5,0.41,0.69,1.0,0.7806267562195874,0.7261239805359468,0.2431293262970324,0.22362243848947982,0.4933756253855116
EOS-2-37147,Cc1nnc(-c2ncccc2-c2nnc3cncc(OCCc4cncc(F)c4)n23)o1,XQKOTAZKDHBHGT-UHFFFAOYSA-N,2,1,0.49,65,619,418.392,2.7,5,0.41,0.65,0.84,0.6223528202316496,0.5074189568912343,0.13054280035638408,0.1439757384689192,0.3510725789870468
EOS-2-37148,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)o1,IYIXXQPQIYPRGV-UHFFFAOYSA-N,2,1,0.549,65,981,418.392,2.7,5,0.41,0.7,0.999,0.7277259954766637,0.629540470152834,0.19713350695634296,0.1864762524844082,0.4352190562675622
EOS-2-37149,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)no1,XKYCWWOKQZGVST-UHFFFAOYSA-N,2,1,0.533,65,904,418.392,2.7,5,0.41,0.76,1.0,0.6512833253375369,0.6345092865465013,0.2042269207045439,0.18648481940922487,0.4191260879994517
EOS-2-37150,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)no1,MQFDXSIUCJFPPI-UHFFFAOYSA-N,2,1,0.517,65,131,418.392,2.7,5,0.41,0.74,1.0,0.6169385237475156,0.4984665204578165,0.2467017339455829,0.22363100541429648,0.39643444589130283
EOS-2-37151,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)ccc1F,UYTNVKKOMHRYOC-UHFFFAOYSA-N,2,1,0.423,31,237,418.392,2.7,5,0.41,0.7,0.999,0.6308169419505174,0.49360050716194914,0.20785072990199438,0.17545062024535674,0.37692969981495444
EOS-2-37152,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)nc2)o1,CMNCVQDJUFTDAZ-UHFFFAOYSA-N,2,1,0.457,31,237,418.392,2.7,5,0.41,0.69,0.999,0.5599513398670414,0.4936090740867658,0.16137516277157152,0.14662291823726956,0.3403896237406621
EOS-2-37153,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)no1,DWLFNXONSQFYIX-UHFFFAOYSA-N,2,1,0.484,87,131,418.392,2.7,5,0.41,0.71,1.0,0.554648413405524,0.4668117332602289,0.14873038174216982,0.14891885408813652,0.32977734562401484
EOS-2-37154,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nc2F)o1,HKRNDLQKOJQKHL-UHFFFAOYSA-N,2,1,0.467,31,237,418.392,2.7,5,0.384,0.56,1.0,0.6223613871564663,0.45373003906517717,0.14563772188335275,0.13699369474333492,0.3396807107120828
EOS-2-37155,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5F)n34)c2)no1,RZNJVUIKBIEZRP-UHFFFAOYSA-N,2,1,0.495,65,131,418.392,2.7,5,0.384,0.78,1.0,0.5970803920224796,0.48883729696388184,0.20423548762936056,0.1812589952710575,0.3678530429716949
EOS-2-37156,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)o1,KVRWSKWSWFZWDT-UHFFFAOYSA-N,2,1,0.5,65,142,418.392,2.7,5,0.41,0.68,1.0,0.6057158522376808,0.4841854567884312,0.26832465218285245,0.23865739154273183,0.3992208381879241
EOS-2-37157,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nc2F)o1,ZKKYMILBVLCSIN-UHFFFAOYSA-N,2,1,0.516,58,237,418.392,2.7,5,0.384,0.58,0.991,0.5853951065725447,0.4755671304228634,0.10548454526763074,0.09935919402371325,0.31645149407168804
EOS-2-37158,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)o1,SHJHYKUKJXFARZ-UHFFFAOYSA-N,2,1,0.533,58,981,418.392,2.7,5,0.384,0.66,1.0,0.685062709889658,0.6490045233363032,0.2007658830786101,0.1754591871701734,0.4275730758686862
EOS-2-37159,COc1cc(-c2nnc3cncc(OCc4ccc(F)nn4)n23)ccc1-c1cn[nH]c1,URXGEYRXJBEATA-UHFFFAOYSA-N,2,1,0.464,72,224,418.392,2.698,5,0.447,0.6,1.0,0.6606898087862381,0.6440100061681858,0.5083441847714344,0.3935559591529025,0.5516499897196901
EOS-2-37160,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4cccc(O)c4F)n23)cc1,DXYSFSBOBQZSRZ-UHFFFAOYSA-N,2,1,0.529,43,402,418.392,2.406,5,0.463,0.68,1.0,0.6910595572613255,0.592043040230279,0.3834641217188678,0.37458878760879993,0.5102888767048182
EOS-2-37161,Cc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)n1,MJKJECKNTFTPBV-UHFFFAOYSA-N,2,1,0.511,20,846,418.392,2.7,5,0.41,0.64,1.0,0.7864265643204715,0.6542303474744706,0.23594167637584812,0.21810533890754574,0.47367598176958403
EOS-2-37162,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1nc[nH]n1,PRKQFDYIOXCUIC-UHFFFAOYSA-N,2,1,0.49,47,718,418.392,2.698,5,0.419,0.6,1.0,0.6512918922623535,0.553072099239257,0.4306164759098074,0.31384929065862516,0.4872074395175108
EOS-2-37163,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)n1,XDHGVMPJCJKDJJ-UHFFFAOYSA-N,2,1,0.522,65,981,418.392,2.7,5,0.41,0.72,1.0,0.6969621684600096,0.6159618943184154,0.19373243780412583,0.18126756219587417,0.4219810156946062
EOS-2-37164,COc1cc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)ccc1-c1nc[nH]n1,JYARBLZBUQJBEJ-UHFFFAOYSA-N,2,1,0.457,47,718,418.392,2.698,5,0.419,0.55,1.0,0.7604173805770681,0.634517853471318,0.5255637036529367,0.3871907340141183,0.5769224179288602
EOS-2-37165,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nnc(CF)o5)cc4)n23)nn1,RFFGUALXVROQTR-UHFFFAOYSA-N,2,1,0.518,72,534,418.392,2.988,5,0.41,0.68,1.0,0.5342419984922212,0.48016756904941404,0.12758721129463368,0.10141525597971353,0.31085300870399557
EOS-2-37166,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(O)ccc5F)n34)cc2)n1,STADZWVPHHUWLI-UHFFFAOYSA-N,2,1,0.524,43,258,418.392,2.406,5,0.463,0.65,1.0,0.7691727777397026,0.6159704612432322,0.4195051744225893,0.38719930093893495,0.5479619285861148
EOS-2-37167,CCc1nc(-c2nnc3cncc(OCc4ccc(F)nn4)n23)ccc1-c1ncco1,ZGXUEAVPEODICO-UHFFFAOYSA-N,2,1,0.409,53,122,418.392,2.912,5,0.41,0.55,0.929,0.5342505654170379,0.47112946336782946,0.10813172503598109,0.0952470701117127,0.30218970598314027
EOS-2-37168,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncnc4O)n23)c(F)c1,GOXYEWHNXAGKTJ-UHFFFAOYSA-N,2,1,0.456,26,55,418.392,2.406,5,0.463,0.63,0.999,0.7216263450071962,0.582319580563361,0.48057878144061406,0.3839181687341512,0.5421107189363306
EOS-2-37169,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)no1,DYUJVSZPXMVUCE-UHFFFAOYSA-N,2,1,0.558,75,359,418.392,2.7,5,0.41,0.74,1.0,0.6308255088753341,0.4888458638886985,0.20785929682681104,0.19219039133712562,0.3799302652319923
EOS-2-37170,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1O,KSNRPQQYYDCBAQ-UHFFFAOYSA-N,2,1,0.506,16,256,418.392,2.406,5,0.433,0.52,1.0,0.5497566993352067,0.44486327187992597,0.48058734836543077,0.3996470426975533,0.4687135905695292
EOS-2-37171,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nc2)o1,PIOYEBYUAHHTCX-UHFFFAOYSA-N,2,1,0.423,58,954,418.392,2.7,5,0.384,0.68,0.999,0.5629240627784251,0.4888544308135152,0.14271640052086904,0.1303200603111507,0.33120373860599
EOS-2-37172,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)o1,CGFUBFGKNRYLCM-UHFFFAOYSA-N,2,1,0.484,87,838,418.392,2.7,5,0.41,0.62,1.0,0.5657511479679255,0.4801761359742307,0.20077445000342678,0.1921989582619423,0.35972517305188134
EOS-2-37173,COc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,RZFGFHTYFZFFRQ-UHFFFAOYSA-N,2,1,0.448,47,283,418.392,2.698,5,0.447,0.57,1.0,0.6761445411555068,0.6390668905489686,0.45271914193681034,0.34855390309094647,0.529121119183058
EOS-2-37174,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ncn2)o1,FFXXYEWOSDQSCI-UHFFFAOYSA-N,2,1,0.414,31,194,418.392,2.7,5,0.384,0.65,0.992,0.5522839421561236,0.4087365499280378,0.18692173257487493,0.15686896031800424,0.32620279624426013
EOS-2-37175,Cc1noc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)n1,DUBHDZAFFUKPBH-UHFFFAOYSA-N,2,1,0.5,65,904,418.392,2.7,5,0.41,0.68,1.0,0.6396066068124187,0.48886299773833186,0.26454663833870196,0.2356075663079981,0.40715595229936263
EOS-2-37176,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)no1,UMYZGNAKWUZTAB-UHFFFAOYSA-N,2,1,0.549,65,981,418.392,2.7,5,0.41,0.77,1.0,0.6700620245356727,0.6490130902611199,0.18371770269344118,0.17546775409499007,0.4195651428963059
EOS-2-37177,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)no1,OYRGEIVMCVAUFK-UHFFFAOYSA-N,2,1,0.474,87,954,418.392,2.7,5,0.384,0.68,1.0,0.5469553149201563,0.6012867521074635,0.12759577821945034,0.12180453704338291,0.3494105955726132
EOS-2-37178,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)n1,FFZQSHJGUKFIPI-UHFFFAOYSA-N,2,1,0.5,87,304,418.392,2.7,5,0.41,0.73,1.0,0.6336011925159345,0.5967805496538963,0.15800836131862106,0.1516088684805702,0.3849997429922555
EOS-2-37179,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)o1,YVTSPIRZXRCHLG-UHFFFAOYSA-N,2,1,0.5,87,304,418.392,2.7,5,0.41,0.69,0.887,0.6396151737372353,0.6295490370776506,0.15801692824343774,0.15687752724282092,0.39601466657528617
EOS-2-37180,COc1nnc(-c2cccc(COc3cncc4nnc(-c5cccc(F)c5)n34)c2)o1,XYVYBFZJDMBLOD-UHFFFAOYSA-N,2,1,0.548,43,909,418.388,3.568,5,0.413,0.78,1.0,0.7277345624014804,0.6587965184017545,0.5083527516962512,0.4347457336714413,0.5824073915427319
EOS-2-37181,OCc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnco5)c4)n23)cc1,CWBAUNWCTOQNSU-UHFFFAOYSA-N,2,1,0.59,43,909,418.388,3.052,5,0.448,0.79,1.0,0.942593036803509,0.7355989993831814,0.7657031731889521,0.6910938249605921,0.7837472585840587
EOS-2-37182,COc1cc(-c2nnc3cncc(Oc4cccc(F)c4)n23)ccc1-c1nnc(C)o1,OMOMHZRIZXKWIT-UHFFFAOYSA-N,2,1,0.617,72,209,418.388,4.09,5,0.421,0.81,1.0,0.7030189843053938,0.6490216571859365,0.5458244808443561,0.4535672674936605,0.5878580974573367
EOS-2-37183,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)cc1,VYYCCQVVPUQBEA-UHFFFAOYSA-N,2,1,0.571,43,909,418.388,3.052,5,0.448,0.74,1.0,0.9386436844630252,0.7030361181550271,0.781826125693921,0.7048351723665273,0.7820852751696252
EOS-2-37184,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)o1,MICOKSGOMPYZCI-UHFFFAOYSA-N,2,1,0.641,43,909,418.388,3.568,5,0.413,0.77,1.0,0.9210729216640394,0.8347011856623946,0.5290076074292372,0.45357583441847715,0.6845893872935371
EOS-2-37185,COc1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1cnco1,LUAOXBLIPDQRKC-UHFFFAOYSA-N,2,1,0.566,97,83,418.388,3.568,5,0.413,0.72,1.0,0.7665255979713522,0.6542389143992873,0.6711671578370229,0.5336337468302378,0.656391354259475
EOS-2-37186,OCc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(F)cc5)n4)n23)cc1,ROIRROZDXCVNFI-UHFFFAOYSA-N,2,1,0.561,43,210,418.388,3.052,5,0.448,0.8,1.0,0.7121598930847783,0.6782948392844904,0.5424319786169557,0.5301555753546707,0.6157605715852238
EOS-2-37187,COc1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccon1,BOMVVCBLZPNSAZ-UHFFFAOYSA-N,2,1,0.565,4,61,418.388,3.568,5,0.413,0.74,1.0,0.727743129326297,0.6108645740524982,0.6402319923240354,0.5135443081351518,0.6230960009594957
EOS-2-37188,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1cnco1,SSEQLQHVEHDEOV-UHFFFAOYSA-N,2,1,0.518,97,103,418.388,3.568,5,0.386,0.7,1.0,0.9168151600301556,0.6390754574737852,0.7240679185799466,0.5695120279624426,0.7123676410115825
EOS-2-37189,Cc1cc(-c2nnco2)cc(F)c1Oc1cncc2nnc(-c3ccc(CO)cc3)n12,MUTQELNSSQCUIY-UHFFFAOYSA-N,2,1,0.433,72,909,418.388,3.573,5,0.461,0.76,1.0,0.8917654718662189,0.7921321362483723,0.7319494894112809,0.6214961277499829,0.7593358063189637
EOS-2-37190,Cc1ccc(-c2nnc3cncc(-c4cncc(-c5cc(F)c(F)c(F)c5)c4)n23)cn1,DUAOQUXUUFRPNL-UHFFFAOYSA-N,2,1,0.39,96,859,418.382,4.641,5,0.399,0.8,1.0,0.39340175450620246,0.5716366253169762,0.9597782879857446,0.9538842437118772,0.7196752278802001
EOS-2-37191,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,BPSDHZQAUUODJA-UHFFFAOYSA-N,2,1,0.387,96,46,418.382,4.992,5,0.411,0.78,0.723,0.3567781509149476,0.6248029607292166,0.9396545815913919,0.9366561579055582,0.7144729627852786
EOS-2-37192,FC(F)(F)c1cccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)n1,CHAPDMWBRCDPOA-UHFFFAOYSA-N,2,1,0.338,30,945,418.382,4.934,5,0.415,0.88,1.0,0.25709341374820094,0.3897608114591186,0.9566427935028442,0.9233088890411898,0.6317014769378384
EOS-2-37193,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)cc1,BQNLYOUHRWTFHY-UHFFFAOYSA-N,2,1,0.649,83,163,418.378,5.668,5,0.378,0.83,1.0,0.9504746076348434,0.9541326845315605,0.9851021177438147,0.9894883832499486,0.9697994482900418
EOS-2-37194,Fc1cc(-c2nnc3cncc(-c4c(F)cccc4F)n23)ccc1Oc1ccccc1,ZJNRGKFTGJMMGJ-UHFFFAOYSA-N,2,1,0.386,83,480,418.378,5.668,5,0.378,0.8,1.0,0.6250942361729833,0.8576348433966143,0.977100609965047,0.9820608594338976,0.8604726372421355
EOS-2-37195,Fc1ccc(Oc2ccc(-c3cncc4nnc(-c5ccccc5F)n34)cc2)cc1F,FJLBITZRCKTKKK-UHFFFAOYSA-N,2,1,0.443,83,480,418.378,5.668,5,0.378,0.88,1.0,0.6251028030978,0.8449386608183127,0.9829346857651977,0.9873038174216983,0.8600699917757522
EOS-2-37196,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,OQIYWMLCCCHWMZ-UHFFFAOYSA-N,2,1,0.69,83,163,418.378,5.668,5,0.378,0.8,1.0,0.9357223631005415,0.9732112260982798,0.9854276608868481,0.9894969501747652,0.9709645500651087
EOS-2-37197,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5cccc(F)c5)n34)ccc2F)cc1,ZAFKKJKHPQNAEQ-UHFFFAOYSA-N,2,1,0.658,83,163,418.378,5.668,5,0.378,0.81,1.0,0.9357309300253581,0.9700671646905626,0.9835086697279145,0.9897025563703653,0.9697523302035501
EOS-2-37198,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccc5F)nn4)n23)cn1,KWQMEVBCEFOQBP-UHFFFAOYSA-N,2,1,0.443,54,411,418.367,2.896,5,0.402,0.68,1.0,0.7247618394900966,0.562564251936125,0.6131519429785485,0.6185319717634158,0.6297525015420465
EOS-2-37199,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(F)nn5)ccn4)n23)c1,WLYAZCAULFJQMG-UHFFFAOYSA-N,2,1,0.472,46,88,418.367,2.896,5,0.429,0.62,0.998,0.444991775752176,0.422632101980673,0.5491912822973065,0.5499965732300733,0.4917029333150572
EOS-2-37200,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)c1,WOXCEEABMPIFAL-UHFFFAOYSA-N,2,1,0.462,46,338,418.367,2.896,5,0.402,0.62,0.999,0.5767168117332603,0.5625728188609417,0.6164073744088822,0.6064012062230142,0.5905245528065246
EOS-2-37201,COc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(F)cc5F)n34)n2)cn1,GJTNXBBPKGHVNQ-UHFFFAOYSA-N,2,1,0.411,22,844,418.367,2.992,5,0.439,0.8,1.0,0.5035210060996504,0.6881896374477418,0.5525752175998904,0.5466983071756563,0.5727460420807348
EOS-2-37202,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cc1F,DSLCSBMEIKIFAC-UHFFFAOYSA-N,2,1,0.429,46,435,418.367,2.896,5,0.429,0.7,1.0,0.5767253786580769,0.5670447536152423,0.6821927900760743,0.647616681516003,0.6183949009663492
EOS-2-37203,Fc1ncc(-c2cc(-c3nnc4cncc(OCc5cccnn5)n34)ccc2F)cn1,FGZKRDXBOOCAQC-UHFFFAOYSA-N,2,1,0.512,4,534,418.367,2.896,5,0.402,0.75,1.0,0.7366355972859983,0.7835994791309712,0.6604756356658213,0.6300202179425674,0.7026827325063396
EOS-2-37204,Fc1cccc(F)c1COc1cncc2nnc(-c3cc(-c4ccnnc4)ncn3)n12,GRHSDBLODJHELK-UHFFFAOYSA-N,2,1,0.411,44,488,418.367,2.896,5,0.429,0.6,1.0,0.6308340758001508,0.5211346035227195,0.6901257624563086,0.6855167569049414,0.63190279967103
EOS-2-37205,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)nn5)nc4)n23)cc1,YCKLDDULJYTVMW-UHFFFAOYSA-N,2,1,0.62,16,389,418.367,2.896,5,0.429,0.74,1.0,0.9274895483517237,0.8347097525872113,0.5787643067644438,0.5726132547460764,0.7283942156123637
EOS-2-37206,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)cc1F,VJZJMYTWFQQODT-UHFFFAOYSA-N,2,1,0.584,54,411,418.367,2.896,5,0.429,0.71,1.0,0.7806353231444041,0.6588050853265712,0.6251113700226166,0.6330871770269344,0.6744097388801316
EOS-2-37207,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cc(F)cnn5)ccn4)n23)nc1,JANZUHCHODZZIM-UHFFFAOYSA-N,2,1,0.489,46,267,418.367,2.896,5,0.429,0.54,1.0,0.4546038653964773,0.4226406689054897,0.5726903570694264,0.5790041806593106,0.507234768007676
EOS-2-37208,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)nn5)n4)n23)cc1,BSHSALBYWRQKKT-UHFFFAOYSA-N,2,1,0.554,4,32,418.367,2.896,5,0.429,0.59,1.0,0.7604259475018847,0.792140703173189,0.5154718662189021,0.55000514015489,0.6545109142622164
EOS-2-37209,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)n4)n23)nc1,LMQOXFTWWUNNQO-UHFFFAOYSA-N,2,1,0.456,46,128,418.367,2.896,5,0.429,0.69,1.0,0.6139401000616819,0.576956685628127,0.5491998492221233,0.5531406346377904,0.5733093173874306
EOS-2-37210,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)nn2)cn1,AYSDQAWJHOJVJA-UHFFFAOYSA-N,2,1,0.425,54,565,418.367,2.896,5,0.402,0.63,1.0,0.7366441642108149,0.6060242615310808,0.6131605099033651,0.6002587211294633,0.639021914193681
EOS-2-37211,Fc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)n4)n23)cc1F,FPTKRFFGFZVJAF-UHFFFAOYSA-N,2,1,0.535,4,391,418.367,2.896,5,0.429,0.72,1.0,0.7635443081351518,0.834718319512028,0.5255722705777535,0.5400075388938387,0.6659606092796929
EOS-2-37212,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)nn2)nc1,DGJSCMXJRCYVKY-UHFFFAOYSA-N,2,1,0.471,54,411,418.367,2.896,5,0.429,0.67,0.958,0.5184531560551024,0.5074275238160509,0.4876036597902817,0.5263689945857035,0.5099633335617847
EOS-2-37213,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ncn2)nc1,DJVHGJRQJHFVGD-UHFFFAOYSA-N,2,1,0.418,46,726,418.367,2.896,5,0.402,0.71,0.995,0.6638081694195052,0.48018470289904736,0.5914861901171955,0.5756716469056268,0.5777876773353436
EOS-2-37214,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nn4)n23)c1,GBDCRKUUZICMFS-UHFFFAOYSA-N,2,1,0.427,54,411,418.367,2.896,5,0.402,0.69,0.985,0.7247704064149133,0.5580837502570077,0.5978771160304297,0.6030601055445137,0.6209478445617161
EOS-2-37215,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nn4)n23)cc1F,RJAIKWCHXVFDER-UHFFFAOYSA-N,2,1,0.549,72,820,418.367,2.896,5,0.429,0.68,1.0,0.7976235350558564,0.869482900418066,0.5818826673977109,0.6002672880542801,0.7123140977314782
EOS-2-37216,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)cc1F,IPKKYKOYCIREFR-UHFFFAOYSA-N,2,1,0.488,54,411,418.367,2.896,5,0.429,0.63,0.999,0.5740781988897266,0.5255808375025701,0.4940631211020492,0.5065365636351176,0.5250646802823659
EOS-2-37217,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cnc1F,GXBVFAPCYZTJCS-UHFFFAOYSA-N,2,1,0.418,46,435,418.367,2.896,5,0.402,0.71,1.0,0.7517562195874169,0.6060328284558975,0.7034644643958604,0.6505808375025701,0.6779585874854362
EOS-2-37218,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1F,ULHZERLGWIJWBP-UHFFFAOYSA-N,2,1,0.551,51,969,418.367,2.896,5,0.429,0.76,1.0,0.9066462202727709,0.8751028030978,0.6740370776506065,0.6533136865190871,0.7772749468850662
EOS-2-37219,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccc5F)n34)nn2)nc1,ONIWKZWIEXOQPA-UHFFFAOYSA-N,2,1,0.443,54,411,418.367,2.896,5,0.429,0.61,0.791,0.5823367144129943,0.5391765471866219,0.44189054896854224,0.48731238434651497,0.5126790487286683
EOS-2-37220,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)nn2)cc1F,UFTUMEOROYMLKA-UHFFFAOYSA-N,2,1,0.449,54,691,418.367,2.896,5,0.429,0.7,0.999,0.6638167363443218,0.6588136522513879,0.5658025495168254,0.6002758549790967,0.622177198272908
EOS-2-37221,Fc1nccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)c1F,NDDSHLNZMTULRR-UHFFFAOYSA-N,2,1,0.449,55,242,418.367,2.896,5,0.402,0.69,0.999,0.8528544993489137,0.7748783496676033,0.5787728736892606,0.519986635597286,0.681623089575766
EOS-2-37222,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,KFSWGLMZGRXOFF-UHFFFAOYSA-N,2,1,0.488,55,540,418.367,2.896,5,0.402,0.67,1.0,0.5997704064149133,0.6733945582893565,0.572698923994243,0.5400161058186553,0.5964699986292921
EOS-2-37223,Fc1cncc(COc2cncc3nnc(-c4cnnc(-c5ccc(F)nc5)c4)n23)c1,PYUHIBOIDQGBCT-UHFFFAOYSA-N,2,1,0.456,55,875,418.367,2.896,5,0.402,0.51,0.999,0.6820814200534576,0.6108731409773148,0.6822013570008909,0.6676975532862723,0.6607133678294839
EOS-2-37224,Fc1ccc(F)c(COc2cncc3nnc(-c4cnnc(-c5cnccn5)c4)n23)c1,RROUMXXCVSWZAK-UHFFFAOYSA-N,2,1,0.483,55,540,418.367,2.896,5,0.429,0.62,1.0,0.7001062298677266,0.6542474813241039,0.6794085395106573,0.6881725035981084,0.680483688575149
EOS-2-37225,Fc1cncc(-c2cncc(-c3nnc4cncc(OCc5ncccc5F)n34)n2)c1,UYAXEKJBABYVKW-UHFFFAOYSA-N,2,1,0.451,2,540,418.367,2.896,5,0.429,0.64,0.913,0.5657597148927421,0.5211431704475361,0.504566170927284,0.5436570488657392,0.5337815262833253
EOS-2-37226,Fc1ccc(-c2nnc3cncc(OCc4ncnc(-c5cncc(F)c5)n4)n23)cc1,UCEPWXROSKAKRX-UHFFFAOYSA-N,2,1,0.568,73,335,418.367,2.896,5,0.429,0.7,1.0,0.9289116578712905,0.8638115961894318,0.4768864368446303,0.5231221300801864,0.6981829552463847
EOS-2-37227,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nn4)n23)cn1,UDPGBZUNHLQQRO-UHFFFAOYSA-N,2,1,0.459,54,959,418.367,2.896,5,0.402,0.67,0.987,0.72477897333973,0.5580923171818244,0.607386402576931,0.5914005208690288,0.6204145534918786
EOS-2-37228,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)cc1F,POSCTQULHABFCD-UHFFFAOYSA-N,2,1,0.477,2,817,418.367,2.896,5,0.429,0.6,1.0,0.7030275512302104,0.6930213830443424,0.6901343293811254,0.6447724624768693,0.6827389315331369
EOS-2-37229,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)nc1,JAPBIZSEPKQJFB-UHFFFAOYSA-N,2,1,0.482,55,930,418.367,2.896,5,0.429,0.73,1.0,0.8390874511685286,0.7308700568843808,0.5321773696114043,0.5167055033925022,0.654710095264204
EOS-2-37230,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)cn4)n23)cc1F,YVVRABWJFQGQQP-UHFFFAOYSA-N,2,1,0.518,73,946,418.367,2.896,5,0.429,0.76,1.0,0.8436621890206292,0.8857600575697347,0.5978856829552464,0.6002844219039134,0.731898087862381
EOS-2-37231,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)c1,LIBKLWPRJKXWNN-UHFFFAOYSA-N,2,1,0.422,46,726,418.367,2.896,5,0.429,0.71,0.91,0.6791343979165239,0.5530806661640737,0.6490816256596532,0.6476252484408197,0.6322304845452676
EOS-2-37232,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cc2F)cn1,DTTJANFOWUUDGE-UHFFFAOYSA-N,2,1,0.542,4,716,418.367,2.896,5,0.402,0.71,1.0,0.7665341648961689,0.7536495099719005,0.6518915769995203,0.6215046946747995,0.6983949866355972
EOS-2-37233,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)nc1,MELKXAJGWXTXTB-UHFFFAOYSA-N,2,1,0.416,51,196,418.367,2.896,5,0.402,0.73,1.0,0.6308426427249675,0.6881982043725584,0.522076965252553,0.5065451305599342,0.5869157357275032
EOS-2-37234,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)cn5)n34)cn2)nc1,HMQFOPDQMZEGNG-UHFFFAOYSA-N,2,1,0.455,55,786,418.367,2.896,5,0.429,0.67,1.0,0.6700705914604893,0.6979130971146598,0.5321859365362209,0.509723459666918,0.602473271194572
EOS-2-37235,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nn4)n23)nc1,VMGBBFMCKMQSAH-UHFFFAOYSA-N,2,1,0.494,54,670,418.367,2.896,5,0.429,0.7,0.731,0.5292731820985539,0.5211517373723529,0.5390651771640053,0.5695205948872593,0.5397526728805428
EOS-2-37236,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nn4)n23)nc1,TVENCPNXQVLYBG-UHFFFAOYSA-N,2,1,0.461,54,670,418.367,2.896,5,0.402,0.69,0.996,0.5546569803303406,0.5530892330888905,0.5492084161469399,0.5566273730381742,0.5533955006510863
EOS-2-37237,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cc1,QUASPHROIOQNSG-UHFFFAOYSA-N,2,1,0.562,73,156,418.367,2.896,5,0.429,0.73,1.0,0.8291926530052772,0.8415718593653622,0.4418991158933589,0.48455383455554796,0.6493043657048865
EOS-2-37238,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)n4)n23)cn1,BNTYVQZYHQDTMZ-UHFFFAOYSA-N,2,1,0.438,46,959,418.367,2.896,5,0.402,0.59,1.0,0.7635528750599685,0.5967891165787129,0.5914947570420122,0.553149201562607,0.6262464875608251
EOS-2-37239,Fc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncc(F)cn5)n4)n23)cc1,OMKMFPIZZZAZNU-UHFFFAOYSA-N,2,1,0.57,73,82,418.367,2.896,5,0.429,0.75,1.0,0.8747943938043999,0.8664245082585155,0.38347268864368445,0.43148173531629086,0.6390433315057227
EOS-2-37240,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1F,GPMDWPQBGUOKCS-UHFFFAOYSA-N,2,1,0.517,73,401,418.367,2.896,5,0.429,0.71,1.0,0.7890908779384552,0.819811870331026,0.6740456445754232,0.6620433829072716,0.736247943938044
EOS-2-37241,Fc1cccc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)cn5)n4)n23)c1,ZAYGIZRXLGGPLQ-UHFFFAOYSA-N,2,1,0.523,7,212,418.367,2.896,5,0.429,0.66,1.0,0.5184617229799191,0.6490302241107532,0.5154804331437187,0.5367521074635049,0.5549311219244739
EOS-2-37242,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)c(F)c1,LBIASZRNWRJHDS-UHFFFAOYSA-N,2,1,0.511,73,817,418.367,2.896,5,0.429,0.69,1.0,0.6969707353848262,0.7921492700980056,0.6337725310122678,0.6389897882256186,0.6904705811801796
EOS-2-37243,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)cnn4)n23)c1,WTPKKXLVUSAVPE-UHFFFAOYSA-N,2,1,0.462,46,207,418.367,2.896,5,0.402,0.68,1.0,0.4450003426769927,0.47557569734768007,0.6251199369474334,0.6362912069083682,0.5454967959701186
EOS-2-37244,Fc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)cn1,RUOPZBZATQZIAU-UHFFFAOYSA-N,2,1,0.453,2,419,418.367,2.896,5,0.402,0.75,1.0,0.7691813446645193,0.6831694195051744,0.7319580563360976,0.6766071550956069,0.7152289939003496
EOS-2-37245,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)nn2)nc1,UBBCXSNRGUJVRG-UHFFFAOYSA-N,2,1,0.433,54,670,418.367,2.896,5,0.402,0.63,0.991,0.5913319854704955,0.5255894044273868,0.45616304571311084,0.4812898362003975,0.5135935679528477
EOS-2-37246,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncnc5)n34)nn2)c(F)c1,QGZOYJSYHJGEPR-UHFFFAOYSA-N,2,1,0.465,54,411,418.367,2.896,5,0.429,0.73,0.999,0.7427609485299157,0.6345264203961346,0.6222585840586663,0.6476338153656364,0.6617949420875883
EOS-2-37247,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cn4)n23)nc1,YXSWHLPXHVQDMX-UHFFFAOYSA-N,2,1,0.456,46,162,418.367,2.896,5,0.429,0.6,0.999,0.5546655472551573,0.5530978000137071,0.5424405455417723,0.5263775615105202,0.5441453635802893
EOS-2-37248,Fc1ccc(-c2cnc(-c3nnc4cncc(OCc5ccccn5)n34)nn2)cc1F,UZLPIKDMGREMDT-UHFFFAOYSA-N,2,1,0.6,4,391,418.367,2.896,5,0.429,0.66,1.0,0.5546741141799739,0.5163114248509355,0.4735624700157631,0.5336423137550544,0.5195475807004317
EOS-2-37249,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cn2)nc1,PHIFLAJSBUGECP-UHFFFAOYSA-N,2,1,0.494,55,930,418.367,2.896,5,0.402,0.65,1.0,0.6543245836474539,0.6685885134672058,0.45272770886162705,0.4407854156671921,0.5541065554108697
EOS-2-37250,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nn5)ccn4)n23)nc1,JJCABAGXTDCTKG-UHFFFAOYSA-N,2,1,0.472,46,267,418.367,2.896,5,0.429,0.63,0.999,0.47614111438558016,0.4403399355767254,0.5458330477691727,0.5367606743883215,0.4997686930299499
EOS-2-37251,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)c1,NISBIPPIAFNOGG-UHFFFAOYSA-N,2,1,0.477,55,434,418.367,2.896,5,0.402,0.67,1.0,0.8390960180933452,0.7215149749845795,0.6545987252415872,0.6002929888287301,0.7038756767870605
EOS-2-37252,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnccn5)n34)ncn2)cc1F,KIUVRLYIQYILIP-UHFFFAOYSA-N,2,1,0.413,46,488,418.367,2.896,5,0.429,0.6,0.999,0.5767339455828936,0.5531063669385238,0.630671304228634,0.6271502981289836,0.5969154787197588
EOS-2-37253,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncncn5)cc4)n23)c(F)c1,RQAQTXDYVKGWFD-UHFFFAOYSA-N,2,1,0.524,73,19,418.367,2.896,5,0.429,0.66,1.0,0.8482968953464465,0.6979216640394764,0.6073949695017477,0.572621821670893,0.6815588376396409
EOS-2-37254,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)c(F)c1,ZTEWZZMROLOYIJ-UHFFFAOYSA-N,2,1,0.517,73,817,418.367,2.896,5,0.429,0.61,1.0,0.7277516962511137,0.8044770749091906,0.6463059420190529,0.6362997738331848,0.7037086217531355
EOS-2-37255,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)c(F)c1,KVALMNFASWOCQT-UHFFFAOYSA-N,2,1,0.494,73,446,418.367,2.896,5,0.429,0.65,1.0,0.7457936399150161,0.8347268864368447,0.5758258515523268,0.5821568089918443,0.6846257967240079
EOS-2-37261,COc1ccc(F)c(F)c1CCOc1cncc2nnc(-c3ccc(F)c(F)c3)n12,QFWBBXCOOGHBSS-UHFFFAOYSA-N,2,1,0.703,23,86,418.35,3.978,4,0.444,0.74,1.0,0.9890514700842985,0.9838599136453978,0.9729370845041464,0.9589387293537112,0.9761967993968884
EOS-2-37265,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1,HZCQTBVNWJVDAQ-UHFFFAOYSA-N,2,1,0.484,83,533,418.287,5.827,5,0.37,0.88,1.0,0.32846446439586047,0.6734031252141731,0.9456342951134261,0.9762867521074635,0.7309471592077308
EOS-2-37266,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1,BIVLEMAHOXLIAR-UHFFFAOYSA-N,2,1,0.484,83,472,418.287,5.827,5,0.346,0.86,1.0,0.3636059899938318,0.6685970803920225,0.9542440545541773,0.9786255225824139,0.7412681618806114
EOS-2-37267,Clc1ccc(-c2nnc3cncc(-c4cccnc4-c4cccc(Cl)c4)n23)cc1,RVRFPZMAOOWCBQ-UHFFFAOYSA-N,2,1,0.437,83,533,418.287,5.827,5,0.37,0.87,1.0,0.34065519840997877,0.6686056473168391,0.9216383387019396,0.967402851072579,0.7245755088753341
EOS-2-37268,Clc1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccc5)c4)n23)c(Cl)c1,VGYIXARYOZCCMV-UHFFFAOYSA-N,2,1,0.434,83,558,418.287,5.827,5,0.37,0.87,1.0,0.35678671783976423,0.5920516071550956,0.9277037214721403,0.9663919539442122,0.7107335001028031
EOS-2-37269,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)c(Cl)c1,OMSLTUMSTIEGLC-UHFFFAOYSA-N,2,1,0.41,83,558,418.287,5.827,5,0.37,0.83,1.0,0.28418203001850456,0.5920601740799123,0.9342317181824412,0.9679254334863957,0.6945998389418134
EOS-2-37270,Cc1cc(Cl)cnc1-c1nnc2cncc(OCCc3ccc(Cl)c(F)c3)n12,QLLGESSYNMJRMG-UHFFFAOYSA-N,2,1,0.632,23,281,418.259,4.562,4,0.476,0.77,1.0,0.930188129668974,0.8829758070043178,0.8527345624014804,0.8987218148173531,0.8911550784730313
EOS-2-37271,COc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)c4)n23)cc1Br,JGMWHKNQLNRYIC-UHFFFAOYSA-N,2,1,0.38,45,46,481.741,5.069,5,0.358,0.77,1.0,0.038534027825371804,0.3125728188609417,0.8602049208416147,0.8611986841203482,0.5181276129120691
EOS-2-37272,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Br)cc5Cl)n34)cc2)cn1,NBSZUHSYDRQGGY-UHFFFAOYSA-N,2,1,0.553,13,15,481.741,5.4,5,0.344,0.82,1.0,0.4738109108354465,0.7125197039270783,0.8744003152628332,0.8807912411760674,0.7353805428003564
EOS-2-37273,Brc1cccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)c1,JRHWWAACBRJLPE-UHFFFAOYSA-N,2,1,0.435,83,558,418.254,4.876,5,0.418,0.79,1.0,0.2841905969433212,0.4087451168528545,0.7609570968405182,0.7871718867795217,0.5602661743540539
EOS-2-37274,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5c(Cl)cccc5Cl)n34)cc2)cc1,BKZJZOQEENTGKQ-UHFFFAOYSA-N,2,1,0.671,83,23,481.77,6.998,5,0.271,0.82,1.0,0.9794222465903639,0.9832345281337811,0.9824206702761976,0.9942601603728326,0.9848344013432938
EOS-2-37275,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4ccccc4Cl)cc3Cl)n12,VSLWKGTYQOHAQV-UHFFFAOYSA-N,2,1,0.418,83,405,481.77,7.094,5,0.275,0.81,1.0,0.5009594955794668,0.6440185730930026,0.9805959152902474,0.9922554999657323,0.7794573709821122
EOS-2-37276,Clc1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4OCc4cccc(Cl)c4)n23)cc1,VORDDINLMZTXED-UHFFFAOYSA-N,2,1,0.482,83,533,481.77,6.998,5,0.271,0.85,0.999,0.7063515180590775,0.8721986155849496,0.9824292372010143,0.9938832156808992,0.8887156466314852
EOS-2-37277,Clc1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccc(Cl)c(Cl)c4)n23)cc1,ZIHPNDYAMKOBQW-UHFFFAOYSA-N,2,1,0.699,57,853,481.77,6.998,5,0.271,0.84,1.0,0.9858817079021315,0.9931464601466657,0.9835172366527312,0.9940888218764992,0.9891585566445069
EOS-2-37278,Fc1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1F,HGANGSYHGACXKI-UHFFFAOYSA-N,2,1,0.653,23,708,418.201,3.806,4,0.505,0.8,1.0,0.8683692001918991,0.929879720375574,0.9063206771297375,0.9068860941676375,0.9028639229662121
EOS-2-37279,Fc1ccc(-c2nnc3cncc(OCc4ncc(Br)cc4F)n23)cc1,NMAXOEOAXYRITP-UHFFFAOYSA-N,2,1,0.625,23,708,418.201,3.806,4,0.505,0.81,1.0,0.9386522513878418,0.9193681036255226,0.8646597217462819,0.8835240901925845,0.9015510417380577
EOS-2-37280,Cn1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4F)n23)cc1-c1ccc(C#N)cc1F,OVOMLJZIXRHEGP-UHFFFAOYSA-N,2,1,0.396,13,956,481.825,4.926,5,0.338,0.69,1.0,0.5522925090809403,0.6345349873209513,0.9669231032828456,0.9704526763073127,0.7810508189980124
EOS-2-37281,FC(F)Oc1cccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cn2)c1,GHKMGNWILUBQKQ-UHFFFAOYSA-N,2,1,0.516,27,996,481.85,4.477,5,0.314,0.77,1.0,0.7665427318209855,0.8751113700226166,0.8844750188472346,0.8612072510451648,0.8468340929340005
EOS-2-37282,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2)cc1,WNAWWEFCARKOGY-UHFFFAOYSA-N,2,1,0.581,54,691,481.85,4.477,5,0.335,0.81,0.996,0.645269344116236,0.8044856418340073,0.8541909396203139,0.8509098074155301,0.7887139332465218
EOS-2-37283,FC(F)Oc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)nc1,HYWITOFIRBGEQH-UHFFFAOYSA-N,2,1,0.5,27,173,481.85,4.477,5,0.314,0.67,1.0,0.6728805428003564,0.8044942087588239,0.8794205332054006,0.8527773970255637,0.8023931704475361
EOS-2-37284,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cnc(F)c(F)c1,QUUXMTSMBOQVQX-UHFFFAOYSA-N,2,1,0.447,16,83,481.85,4.163,5,0.333,0.56,1.0,0.8483054622712631,0.8238468919196765,0.8366373106709616,0.7826057158522377,0.8228488451785347
EOS-2-37285,COc1nccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1F,ULJSTNFYJZQMMZ-UHFFFAOYSA-N,2,1,0.484,73,526,481.85,4.163,5,0.356,0.66,0.927,0.8483140291960798,0.8347354533616613,0.7240764855047632,0.6940237132478926,0.7752874203275992
EOS-2-37286,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ncc(F)cc1F,ZCKUUVRDUWJTCS-UHFFFAOYSA-N,2,1,0.392,49,565,481.85,4.163,5,0.333,0.72,1.0,0.7835052429579878,0.7169916386813789,0.7135734356795285,0.6826211363169077,0.7241728634089507
EOS-2-37287,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nncc(-c5ccccc5Cl)n4)n23)cc1,UABFTJUXWIUVOR-UHFFFAOYSA-N,2,1,0.614,1,996,481.85,4.477,5,0.335,0.79,1.0,0.9210814885888562,0.9624426016037283,0.8315314234802276,0.8543108765677473,0.8923415975601399
EOS-2-37288,Cc1[nH]c(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)nc(=O)c1F,ZJPQQNLZIZVUJW-UHFFFAOYSA-N,2,1,0.595,59,294,481.85,3.756,5,0.407,0.66,1.0,0.77486121581797,0.7878144061407717,0.739377013227332,0.7607172229456515,0.7656924645329313
EOS-2-37289,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5Cl)n34)nn2)cc1F,CLSDYECJGXNZSR-UHFFFAOYSA-N,2,1,0.423,54,691,481.85,3.646,5,0.391,0.61,0.95,0.8457867863751628,0.6542560482489206,0.8794291001302172,0.8821876499211843,0.8154148961688712
EOS-2-37290,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1cncc(F)c1,LAIDRCMDEDIOCQ-UHFFFAOYSA-N,2,1,0.411,46,526,481.85,4.163,5,0.356,0.7,0.996,0.6452779110410527,0.6636539647728051,0.7161263792748955,0.6994722774312933,0.6811326331300116
EOS-2-37291,COc1nc(Cl)ncc1-c1cncc2nnc(-c3cccnc3OCc3cccc(F)c3F)n12,GNJIGROBTATCRC-UHFFFAOYSA-N,2,1,0.33,59,910,481.85,4.163,5,0.333,0.69,0.997,0.6196456719895826,0.7078250291275444,0.7267322321979303,0.667706120211089,0.6804772633815366
EOS-2-37292,FC(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)nc1,OCZAACJRBZYBFX-UHFFFAOYSA-N,2,1,0.612,72,431,481.85,4.477,5,0.335,0.78,1.0,0.8058477828798575,0.8911572202042355,0.882170516071551,0.8492392570762799,0.857103694057981
EOS-2-37293,COc1ncc(-c2cc(F)c(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)cn1,CJUTZZQJPLCHMC-UHFFFAOYSA-N,2,1,0.628,59,294,481.85,4.163,5,0.356,0.72,1.0,0.8788208484682338,0.8160766911109588,0.8258087177026935,0.7848331163045713,0.8263848433966143
EOS-2-37294,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nc5)cn4)n23)cc1,KGJSTFWCUYHXJH-UHFFFAOYSA-N,2,1,0.619,27,996,481.85,4.477,5,0.314,0.78,1.0,0.8640172023850319,0.9267099581934068,0.8868480570214515,0.859502433006648,0.8842694126516345
EOS-2-37295,OCc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)cc1F,UPWLTNMIFIHHGS-UHFFFAOYSA-N,2,1,0.424,73,196,481.85,3.646,5,0.391,0.64,1.0,0.8662103351380989,0.8638201631142485,0.7701237063943527,0.784841683229388,0.8212489719690219
EOS-2-37296,COc1cnc(Cl)cc1COc1cncc2nnc(-c3nccnc3-c3ccc(F)cc3F)n12,UEFRJHDMFFZRKV-UHFFFAOYSA-N,2,1,0.426,46,540,481.85,4.163,5,0.333,0.64,1.0,0.8086577342197245,0.7308786238091974,0.7518932903844836,0.7400795010622987,0.7578772873689261
EOS-2-37297,COc1nc(-c2nnc3cncc(OCc4cc(Cl)c(F)cn4)n23)ccc1-c1ccc(F)cn1,LPWSNAHHJVKAIJ-UHFFFAOYSA-N,2,1,0.415,49,469,481.85,4.163,5,0.356,0.66,1.0,0.6483277362757864,0.6831779864299911,0.7240850524295799,0.6911023918854088,0.6866732917551915
EOS-2-37298,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cnc(F)c(F)c1,CHOQEXUKCZFQNP-UHFFFAOYSA-N,2,1,0.478,72,224,481.85,4.163,5,0.333,0.58,1.0,0.7806438900692207,0.8198204372558426,0.8315399904050442,0.7826142827770544,0.8036546501267905
EOS-2-37299,FC(F)Oc1ccc(-c2ccncc2-c2nnc3cncc(OCc4cccc(Cl)n4)n23)nc1,OJWINNVKZBAORV-UHFFFAOYSA-N,2,1,0.516,27,31,481.85,4.477,5,0.314,0.55,1.0,0.7337656774724145,0.8449472277431294,0.8660989651154821,0.8437821259680625,0.822148499074772
EOS-2-37300,O=c1ccc(-c2cc(F)c(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nc2F)n[nH]1,XEYLJOLXYWXGQO-UHFFFAOYSA-N,2,1,0.538,19,442,481.85,3.49,5,0.369,0.56,0.994,0.6513004591871702,0.567053320540059,0.6711757247618395,0.7400880679871154,0.657404393119046
EOS-2-37301,COc1cccc(F)c1COc1cncc2nnc(-c3ccc(F)c(-c4cnc(Cl)nn4)c3)n12,XDYLDUXIUGTRAF-UHFFFAOYSA-N,2,1,0.489,34,521,481.85,4.163,5,0.356,0.62,0.999,0.945377287368926,0.9054896854225207,0.8315485573298609,0.8008189980124735,0.8708086320334453
EOS-2-37302,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1ccc(F)cn1,KCNCCLPDLHZDKL-UHFFFAOYSA-N,2,1,0.43,73,379,481.85,4.163,5,0.333,0.63,1.0,0.94960934822836,0.8664330751833322,0.7370211089027483,0.6966794599410595,0.812435748063875
EOS-2-37303,FC(F)c1ccncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)nn1,IFJCBCIJNPVFCP-UHFFFAOYSA-N,2,1,0.415,54,411,481.854,3.646,5,0.321,0.6,0.893,0.8031920361866904,0.7492032759920499,0.622267150983483,0.6030686724693304,0.6944327839078884
EOS-2-37304,N=c1nc(-c2ccc(C(F)F)nc2)cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)[nH]1,HIYFGGGMHJJWQC-UHFFFAOYSA-N,2,1,0.433,27,430,481.854,3.621,5,0.354,0.57,1.0,0.4662634500719622,0.34163182783907886,0.7747412788705367,0.6911109588102254,0.5684368788979508
EOS-2-37305,CN=c1nc(F)c(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)c[nH]1,WYWROKFBDDGPHJ-UHFFFAOYSA-N,2,1,0.412,2,419,481.854,3.012,5,0.302,0.38,0.655,0.5712939483243095,0.4936176410115825,0.6794171064354739,0.6243317798642999,0.5921651189089164
EOS-2-37306,Cc1cc(Cl)nc(-c2cc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)ncn2)n1,BLCPHHVFZBPXGL-UHFFFAOYSA-N,2,1,0.366,31,194,481.854,3.295,5,0.337,0.51,0.407,0.712168460009595,0.6205023644712494,0.3380594201905284,0.39356452607771913,0.516073692687273
EOS-2-37307,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc(Cl)c(F)cn5)cc4)n23)cc1F,MCEPFFUPJRLJLY-UHFFFAOYSA-N,2,1,0.757,88,485,481.865,5.546,5,0.318,0.76,1.0,0.9911246658899322,0.9835172366527312,0.9774518538825303,0.9799276951545474,0.9830053628949352
EOS-2-37308,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)cc1F,WZJXWUXQJPIFQS-UHFFFAOYSA-N,2,1,0.65,88,485,481.865,5.546,5,0.298,0.74,1.0,0.9921441299431156,0.9907562881228155,0.9783856486875471,0.9826691110958811,0.9859887944623398
EOS-2-37309,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)cc1,IYDMZNODGNRGCO-UHFFFAOYSA-N,2,1,0.582,1,138,481.865,6.105,5,0.303,0.79,1.0,0.932406963196491,0.9418305804948256,0.9959392776368995,0.9951596874785826,0.9663341272016996
EOS-2-37310,FC(F)(F)c1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cn4)c3)n12,WOBFKXANOCOYLI-UHFFFAOYSA-N,2,1,0.506,1,138,481.865,6.105,5,0.303,0.73,1.0,0.9496179151531766,0.9488383249948599,0.992932287026249,0.9885031868960318,0.9699729285175793
EOS-2-37311,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)nc5)c4)n23)c1,NRXBTWHDEOGQCB-UHFFFAOYSA-N,2,1,0.571,88,222,481.865,5.546,5,0.298,0.72,1.0,0.9883232814748818,0.9900623672126654,0.9783942156123638,0.9839284490439312,0.9851770783359605
EOS-2-37312,FC(F)(F)c1ncccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,VVWPVLNPYFCIIE-UHFFFAOYSA-N,2,1,0.658,1,138,481.865,6.105,5,0.303,0.82,1.0,0.9852734562401481,0.9842454252621479,0.9902422726338154,0.9815211431704476,0.9853205743266398
EOS-2-37313,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)cc4)n23)cc1,JDNPHKKRVXEJNY-UHFFFAOYSA-N,2,1,0.582,1,138,481.865,6.105,5,0.284,0.78,1.0,0.9887002261668152,0.9665204578164622,0.9942087588239326,0.9907991227468987,0.9850571413885272
EOS-2-37314,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cn2)ccc1Cl,MRKPPOSTTIEJID-UHFFFAOYSA-N,2,1,0.583,88,732,481.865,5.546,5,0.318,0.75,1.0,0.9728856829552464,0.9846138030292646,0.9760811459118635,0.9802361044479474,0.9784541840860804
EOS-2-37315,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)ccc2F)cn1,ZQSDKUOSZJPAGP-UHFFFAOYSA-N,2,1,0.536,57,13,481.865,5.811,5,0.296,0.71,1.0,0.9797563566582139,0.9687221574943459,0.9835258035775478,0.9826776780206977,0.9786704989377013
EOS-2-37316,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)cc1F,VPGQRCFDJBKTHE-UHFFFAOYSA-N,2,1,0.731,88,485,481.865,5.546,5,0.318,0.77,1.0,0.9855133301350147,0.9873552189705983,0.9778030978000137,0.9818124186142142,0.9831210163799602
EOS-2-37317,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(C(F)F)c5)n34)nc2)c1,JDHNNZRCPLIJRR-UHFFFAOYSA-N,2,1,0.59,57,962,481.865,6.162,5,0.29,0.81,1.0,0.9018144746761703,0.9714892742101295,0.9873209512713317,0.9868497704064149,0.9618686176410116
EOS-2-37318,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccn2)cc1F,CVCVXKZWCQSYHT-UHFFFAOYSA-N,2,1,0.733,88,485,481.865,5.546,5,0.318,0.76,1.0,0.9928037831539991,0.9815725447193475,0.9788482626276471,0.9823521348776643,0.9838941813446644
EOS-2-37319,Cc1cnc(F)cc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1F,YZYCYUIKBKQOPY-UHFFFAOYSA-N,2,1,0.529,57,671,481.865,5.811,5,0.296,0.72,1.0,0.9692104722088959,0.962451168528545,0.9812041669522308,0.982360701802481,0.9738066273730381
EOS-2-37320,Fc1ccc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)cc1F,LKEBCCOZYJFDKU-UHFFFAOYSA-N,2,1,0.518,88,485,481.865,5.546,5,0.318,0.68,1.0,0.9301966965937907,0.9552378178329107,0.961860050716195,0.9736995408128298,0.9552485264889315
EOS-2-37321,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)ccn2)cc1F,AXLGSOQAJTUXBY-UHFFFAOYSA-N,2,1,0.595,88,485,481.865,5.546,5,0.318,0.75,1.0,0.9831317250359811,0.9805616475909807,0.9763981221300801,0.9818209855390309,0.9804781200740182
EOS-2-37322,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cc2F)cn1,UQXHPBSOOIJMJW-UHFFFAOYSA-N,2,1,0.605,88,222,481.865,5.546,5,0.298,0.68,1.0,0.9852820231649647,0.987081077376465,0.9781286409430471,0.9823692687272977,0.9832152525529436
EOS-2-37323,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)c2)cc1F,UXPQWDNOOLZYKP-UHFFFAOYSA-N,2,1,0.511,88,560,481.865,5.546,5,0.318,0.77,1.0,0.9435182646837091,0.9418391474196423,0.9742906586251799,0.9815297100952642,0.960294445205949
EOS-2-37324,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)cc1F,IWTYTPAMPOUKTJ-UHFFFAOYSA-N,2,1,0.633,88,485,481.865,5.546,5,0.318,0.78,1.0,0.9620485230621616,0.9444948941128093,0.9768350352957302,0.9823778356521143,0.9664390720307039
EOS-2-37325,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)c(F)c5)c4)n23)c1,QKTSVBOXVRWRRK-UHFFFAOYSA-N,2,1,0.65,88,485,481.865,5.546,5,0.318,0.76,1.0,0.9809471592077308,0.9763981221300801,0.9750531149338634,0.9806558837639641,0.9782635700089095
EOS-2-37326,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)c(F)c5)c4)n23)c1,LXVPWFJYTBNXFG-UHFFFAOYSA-N,2,1,0.595,88,485,481.865,5.546,5,0.318,0.76,1.0,0.9834230004797478,0.980116167500514,0.9764066890548968,0.9820694263587143,0.9805038208484682
EOS-2-37327,FC(F)(F)c1cccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)c1,IWNXXKFOQHODPG-UHFFFAOYSA-N,2,1,0.554,1,138,481.865,6.105,5,0.303,0.81,1.0,0.9262216434788568,0.9431498869165924,0.995613734493866,0.9947827427866494,0.9649420019189912
EOS-2-37328,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)n5)c4)n23)ccc1Cl,QGBQCCJSSPOOFV-UHFFFAOYSA-N,2,1,0.722,57,485,481.865,5.546,5,0.298,0.76,1.0,0.9843139606606812,0.9796192858611473,0.9714807072853129,0.9737081077376465,0.977280515386197
EOS-2-37329,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)c2)cc1F,CTWUTEHOOPHZLN-UHFFFAOYSA-N,2,1,0.547,57,80,481.865,5.546,5,0.298,0.72,1.0,0.9426016037283257,0.9640874511685286,0.964772805153862,0.972148927421013,0.9609026968679323
EOS-2-37330,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1,DASNQZIGBSOPRR-UHFFFAOYSA-N,2,1,0.577,1,138,481.865,6.105,5,0.284,0.83,1.0,0.9870982112260983,0.9633335617846618,0.9960849153587829,0.9938917826057159,0.9851021177438147
EOS-2-37331,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cccnc5F)c4)n23)ccc1Cl,HBBXRFKQXWQRQI-UHFFFAOYSA-N,2,1,0.718,88,485,481.865,5.546,5,0.298,0.76,1.0,0.9968302378178329,0.9927866493043657,0.9785826879583305,0.9815382770200809,0.9874344630251526
EOS-2-37332,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccc(Cl)cc4)n23)cn1,GSLKIFJWWDOFEP-UHFFFAOYSA-N,2,1,0.583,1,640,481.865,6.105,5,0.303,0.81,1.0,0.9676941265163457,0.9708296209992461,0.9912703036118155,0.984913645397848,0.9786769241313138
EOS-2-37333,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)cc2F)cn1,NONYHGXSMOMTNO-UHFFFAOYSA-N,2,1,0.614,88,222,481.865,5.546,5,0.298,0.72,1.0,0.9858902748269481,0.987903502158865,0.9785912548831471,0.982386402576931,0.9836928586114728
EOS-2-37334,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cc(Cl)c(F)cn5)c4)n23)cc1F,SVQWUWBABBGRMY-UHFFFAOYSA-N,2,1,0.74,88,485,481.865,5.546,5,0.318,0.73,1.0,0.9824035364265643,0.9561373449386609,0.9757384689191968,0.9792423411692139,0.973380422863409
EOS-2-37335,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5oc(CF)nc5Cl)n34)cc2)cn1,JUKULGPJYWPKSL-UHFFFAOYSA-N,2,1,0.511,15,320,481.875,3.989,5,0.324,0.58,1.0,0.7780138441505038,0.712528270851895,0.26111986841203483,0.23866595846754848,0.49758198547049554
EOS-2-37336,N#Cc1ccc(-c2nnc3cncc(OCc4snnc4-c4ccc(F)cc4Cl)n23)c(F)c1,SASNQKMQWHPBHN-UHFFFAOYSA-N,2,1,0.536,34,146,481.875,4.692,5,0.358,0.75,1.0,0.6850712768144747,0.8884243711877184,0.8428483311630457,0.9068946610924542,0.8308096600644232
EOS-2-37337,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1noc(C)n1,XYBYKPMCZFYXJL-UHFFFAOYSA-N,2,1,0.444,49,896,481.875,3.967,5,0.34,0.64,1.0,0.6881553697484751,0.6159790281680488,0.3495648002193133,0.34212014255362894,0.49895483517236655
EOS-2-37338,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1noc(C)n1,FTKVWMWOBIUYPW-UHFFFAOYSA-N,2,1,0.568,49,308,481.875,3.967,5,0.34,0.67,0.999,0.7488006305256665,0.6060413953807141,0.3759423617298335,0.3453070385854294,0.5190228565554109
EOS-2-37339,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)ccc1-c1noc(C)n1,VERGCVMQORUFTD-UHFFFAOYSA-N,2,1,0.474,49,896,481.875,3.967,5,0.34,0.68,1.0,0.6606983757110547,0.6012953190322802,0.3532571448152971,0.3421287094784456,0.48934488725926933
EOS-2-37340,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c(F)cc1-c1nnc(C)o1,IBUKIHJNWLMAJJ-UHFFFAOYSA-N,2,1,0.527,37,669,481.875,3.967,5,0.318,0.58,1.0,0.7517647865122336,0.6345435542457679,0.497601261051333,0.42836337468302377,0.5780682441230895
EOS-2-37341,COc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1-c1ncnn1C,MZGPKICDTMCWCH-UHFFFAOYSA-N,2,1,0.461,36,771,481.879,2.799,5,0.345,0.65,1.0,0.6139486669864985,0.5670618874648756,0.24671030087039955,0.22986772668083064,0.4143971455006511
EOS-2-37342,CCOc1nc(-c2nnc3cncc(OCc4nnnn4C)n23)ccc1-c1ccc(F)c(Cl)c1,ZUJWJYBAEBJALV-UHFFFAOYSA-N,2,1,0.385,36,404,481.879,3.147,5,0.345,0.72,0.984,0.45903296552669454,0.49362620793639916,0.1902799671030087,0.24442293194434925,0.3468405181276129
EOS-2-37343,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnnc(Cl)c6)nc5)n34)nc2)nc1,GHZIREUITSPXLB-UHFFFAOYSA-N,2,1,0.316,32,392,481.882,4.56,6,0.36,0.63,0.997,0.30555650743609075,0.43172160921115754,0.6822099239257077,0.7348622438489479,0.538587571105476
EOS-2-37344,Fc1cc(Cl)cnc1-c1nnc2cncc(-c3cccnc3-c3cnc(-c4cccnc4)nc3)n12,AWUNMUWZXNRESF-UHFFFAOYSA-N,2,1,0.28,42,106,481.882,4.56,6,0.36,0.64,1.0,0.3055650743609074,0.502835652114317,0.5083613186210678,0.6064097731478308,0.48079295456103077
EOS-2-37345,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(Cl)nn5)n4)n23)cc1,ZQFBRKNWWFAUBT-UHFFFAOYSA-N,2,1,0.367,3,186,481.882,4.56,6,0.36,0.71,0.641,0.34294256733602907,0.5769652525529436,0.5882393256116785,0.7321122609827976,0.5600648516208622
EOS-2-37346,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(Cl)nc6)n5)n34)cc2)c1,SUMVBHZEZDUYCT-UHFFFAOYSA-N,2,1,0.321,42,186,481.882,4.56,6,0.337,0.71,1.0,0.33594338976081145,0.5028442190391337,0.6873929134397917,0.7755123021040368,0.5754232060859434
EOS-2-37347,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(Cl)nc6)nc5)n34)nc2)cn1,XCXGEIYMVXVXFP-UHFFFAOYSA-N,2,1,0.325,42,170,481.882,4.56,6,0.266,0.68,1.0,0.29244054554177235,0.46682030018504556,0.7217120142553629,0.7348708107737647,0.5539609176889864
EOS-2-37348,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(Cl)nc(-c6cnccn6)n5)n34)cc2)cn1,LODMHCWMFUBZIU-UHFFFAOYSA-N,2,1,0.333,42,983,481.882,4.56,6,0.266,0.55,1.0,0.2731735316290864,0.44034850250154206,0.6193800973202659,0.6855253238297581,0.5046068638201631
EOS-2-37349,COc1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5C(F)F)cc4)n23)ccc1Cl,HJFJCFMEFDZPJE-UHFFFAOYSA-N,2,1,0.527,1,713,481.89,5.761,5,0.295,0.75,1.0,0.8242152696867933,0.880414296484134,0.9760897128366801,0.9538928106366938,0.9086530224110753
EOS-2-37350,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c(F)c1,ONBLIZPMGNQVHA-UHFFFAOYSA-N,2,1,0.521,26,669,481.894,4.433,5,0.305,0.6,1.0,0.7001147967925434,0.7261325474607635,0.7240936193543965,0.737543691316565,0.7219711637310671
EOS-2-37351,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)c(F)c1,ZOUPJWZXYDNBBV-UHFFFAOYSA-N,2,1,0.58,88,520,481.894,4.623,5,0.337,0.71,1.0,0.8436707559454458,0.8937358645740525,0.7519018573093003,0.7942481666780893,0.820889161126722
EOS-2-37352,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1-c1cncc(CF)c1,VCVRLJUAFCMMGK-UHFFFAOYSA-N,2,1,0.562,95,381,481.894,4.47,5,0.341,0.68,0.991,0.5292817490233706,0.46262250702487834,0.7840192584469878,0.7871804537043383,0.6407759920498938
EOS-2-37353,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c(Cl)c1F,XCUGYVMXJRXACC-UHFFFAOYSA-N,2,1,0.469,26,589,481.894,4.623,5,0.337,0.6,1.0,0.6513090261119868,0.6734116921389898,0.7726081145911864,0.773130697005003,0.7176148824617915
EOS-2-37354,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)nc1F,YPWXFXAMIDXACM-UHFFFAOYSA-N,2,1,0.431,26,442,481.894,4.623,5,0.315,0.67,0.999,0.6424251250771024,0.6440271400178192,0.7584127201699677,0.7684274552806525,0.7033231101363855
EOS-2-37355,CCn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1F,VCHDYSCWMSCGDI-UHFFFAOYSA-N,2,1,0.675,88,70,481.894,4.623,5,0.337,0.7,1.0,0.7835138098828045,0.8722071825097663,0.7818346926187376,0.8199746419025427,0.8143825817284629
EOS-2-37356,FCCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)c1,XIVHHGPWBNFCRJ-UHFFFAOYSA-N,2,1,0.465,26,563,481.894,4.433,5,0.326,0.75,1.0,0.6280412583099171,0.5769738194777603,0.6846943321225413,0.707782194503461,0.6493729011034199
EOS-2-37357,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ccc(Cl)c(C(F)F)c1,BBNNUKXTWGNKQN-UHFFFAOYSA-N,2,1,0.521,95,266,481.894,4.799,5,0.332,0.69,0.978,0.4909704612432321,0.5346275101089712,0.8068329792337743,0.787189020629155,0.6549049928037831
EOS-2-37358,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)cc(F)c4F)n23)ccn1,OOLZMDXXTGXVBK-UHFFFAOYSA-N,2,1,0.516,26,864,481.894,4.623,5,0.315,0.67,1.0,0.6791429648413405,0.6440357069426359,0.8049482557741073,0.7896220272770886,0.7294372387087931
EOS-2-37359,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)c(F)c1,YVFPIKAXDMNZHI-UHFFFAOYSA-N,2,1,0.458,26,563,481.894,4.623,5,0.315,0.63,0.997,0.7806524569940374,0.7536580768967172,0.7540350215886505,0.7479353711191831,0.759070231649647
EOS-2-37360,FC(F)Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cn1,UAXUYUWHARXDRL-UHFFFAOYSA-N,2,1,0.54,15,519,481.894,4.59,5,0.301,0.74,1.0,0.6028716331985471,0.6979302309642931,0.8347868549105613,0.8116133232814748,0.7368005105887191
EOS-2-37361,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5F)n34)ccn2)cn1,JEVDKMYLFVKTNJ-UHFFFAOYSA-N,2,1,0.527,84,329,481.894,4.623,5,0.315,0.68,1.0,0.5316033856486876,0.558100884106641,0.804956822698924,0.7896305942019053,0.6710729216640394
EOS-2-37362,CCn1cnnc1-c1ccc(-c2nnc3cncc(OC(C)c4ccc(Cl)c(F)c4)n23)c(F)c1,KEEGAIFXURLNHG-UHFFFAOYSA-N,2,1,0.616,34,520,481.894,5.141,5,0.334,0.71,1.0,0.8032006031115071,0.9054982523473374,0.8975738468919197,0.8864968131039682,0.8731923788636831
EOS-2-37363,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)c(F)c1,GCAAYZGPXYGQBZ-UHFFFAOYSA-N,2,1,0.527,88,70,481.894,4.623,5,0.337,0.69,1.0,0.8549705297786306,0.9115807689671716,0.7493917483380166,0.7942567336029059,0.8275499451716811
EOS-2-37364,FCCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,RREPJFUYXQJYRQ-UHFFFAOYSA-N,2,1,0.709,91,520,481.894,4.433,5,0.326,0.74,1.0,0.8662189020629155,0.8722157494345829,0.6768041943663903,0.7266294291001302,0.7854670687410047
EOS-2-37365,Cc1cccc(-c2c(-c3nnc4cncc(OCCc5c(F)ccc(Cl)c5F)n34)cnn2C)n1,BAQMPJABBMFFHC-UHFFFAOYSA-N,2,1,0.495,84,70,481.894,4.448,5,0.333,0.64,1.0,0.5942361729833459,0.5967976835035296,0.6930128161195257,0.7077907614282777,0.6479593585086697
EOS-2-37366,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ccno5)cc4)n23)c(Oc2ccc(Cl)cc2)n1,AGHMXLIRLUCMDL-UHFFFAOYSA-N,2,1,0.435,41,30,481.903,5.657,6,0.311,0.66,1.0,0.4787625933794805,0.530018504557604,0.6740542115002399,0.6677146871359056,0.5876374991433075
EOS-2-37367,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)cc1-c1ccccc1,IFQGYQURGWWQTO-UHFFFAOYSA-N,2,1,0.54,12,177,481.903,5.136,6,0.322,0.68,1.0,0.6452864779658694,0.8160852580357755,0.7008943869508601,0.7292080734699472,0.722868549105613
EOS-2-37368,Clc1cnoc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1,ZZGGEMQCFMBLMU-UHFFFAOYSA-N,2,1,0.494,28,297,481.903,5.136,6,0.322,0.76,1.0,0.7093413748200946,0.6783034062093071,0.6768127612912069,0.6706874100472894,0.6837862380919746
EOS-2-37369,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)cc2)nc1,PMIZINOWMBYVJC-UHFFFAOYSA-N,2,1,0.535,77,323,481.903,5.136,6,0.322,0.71,1.0,0.8748029607292166,0.7492118429168666,0.7345966691796313,0.7321208279076142,0.7726830751833321
EOS-2-37370,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2)cn1,JCXYIYVXPYWIFC-UHFFFAOYSA-N,2,1,0.53,77,323,481.903,5.136,6,0.301,0.72,1.0,0.8110993077924749,0.744945514358166,0.7880457131108217,0.7709461311767528,0.7787591666095539
EOS-2-37371,Clc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)c1,KWLLQVWTKCDLSH-UHFFFAOYSA-N,2,1,0.583,41,592,481.903,5.136,6,0.322,0.71,1.0,0.6881639366732918,0.6979387978891097,0.7217205811801796,0.6994808443561099,0.7018260400246727
EOS-2-37372,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccco6)n5)n34)cc2)nc1,NWCANCOWAILAEU-UHFFFAOYSA-N,2,1,0.467,28,120,481.903,5.136,6,0.322,0.72,1.0,0.7748697827427866,0.6882067712973751,0.6306798711534508,0.644781029401686,0.6846343636488247
EOS-2-37373,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cc4)n23)c(-c2ccccc2)n1,DKBICZXTUKAXPG-UHFFFAOYSA-N,2,1,0.518,12,427,481.903,5.136,6,0.301,0.61,1.0,0.7864351312452882,0.7078335960523611,0.6131690768281818,0.6447895963265027,0.6880568501130834
EOS-2-37374,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c(-c2ccccn2)n1,RCXOTPJNWDJMNP-UHFFFAOYSA-N,2,1,0.483,41,427,481.903,5.136,6,0.301,0.66,1.0,0.9237029675827565,0.7579329723802344,0.6431618806113357,0.633095743951751,0.7394733911315194
EOS-2-37375,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cccnc3-c3ccccc3Cl)n12,IEFNGYXVVWYAOO-UHFFFAOYSA-N,2,1,0.337,69,923,481.903,5.232,6,0.329,0.65,0.99,0.4834744020286478,0.5163199917757522,0.6604842025906381,0.6677232540607224,0.5820004626139401
EOS-2-37376,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)cc1,QSTBXGNSDIIQCP-UHFFFAOYSA-N,2,1,0.529,12,937,481.903,5.136,6,0.322,0.8,1.0,0.6791515317661572,0.8238554588444932,0.5492169830717566,0.6128349667603317,0.6662647351106847
EOS-2-37377,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)no2)cc1,AFYAGSHFSKIUNI-UHFFFAOYSA-N,2,1,0.506,12,427,481.903,5.136,6,0.322,0.81,1.0,0.6112672195188815,0.7078421629771777,0.5321945034610376,0.6003015557535467,0.612901360427661
EOS-2-37378,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)o2)cc1,GBMFTTKISRNUPL-UHFFFAOYSA-N,2,1,0.517,12,937,481.903,5.136,6,0.322,0.8,1.0,0.670079158385306,0.8311287780138441,0.6044479473648139,0.6677318209855391,0.6933469261873757
EOS-2-37379,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5conc5-c5ccccc5)n4)n23)cc1,FZEUUKQDNOTCKW-UHFFFAOYSA-N,2,1,0.517,28,797,481.903,5.136,6,0.322,0.69,1.0,0.7093499417449113,0.8238640257693098,0.5851123980535947,0.6533222534439038,0.6929121547529299
EOS-2-37380,Clc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)o2)c1,NTMYTFWDRMAQIW-UHFFFAOYSA-N,2,1,0.547,41,592,481.903,5.136,6,0.322,0.71,1.0,0.6969793023096429,0.77488691659242,0.7135820026043451,0.7292166403947639,0.728666215475293
EOS-2-37381,Clc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)cn1,ULRJGQJUICDDRC-UHFFFAOYSA-N,2,1,0.54,41,592,481.903,5.136,6,0.301,0.77,1.0,0.7308015214858474,0.740327941881982,0.6431704475361524,0.6363083407580015,0.6876520629154957
EOS-2-37382,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)no2)cn1,IKBHSGRWCQCNQH-UHFFFAOYSA-N,2,1,0.483,12,285,481.903,5.136,6,0.301,0.79,1.0,0.6543331505722706,0.6636625316976218,0.5322030703858543,0.6095281337810979,0.6149317216092112
EOS-2-37383,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)c(Oc2ccc(Cl)cc2)n1,NQLOFBFKAZSMMD-UHFFFAOYSA-N,2,1,0.411,69,484,481.903,5.657,6,0.311,0.67,1.0,0.5444623397985059,0.5670704543896923,0.6279213213624837,0.6128435336851484,0.5880744123089576
EOS-2-37384,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)o5)n34)cn2)cc1,BCYHMVHRUBQAHK-UHFFFAOYSA-N,2,1,0.386,3,641,481.903,5.232,6,0.329,0.76,1.0,0.49577650606538276,0.6636710986224384,0.6306884380782675,0.6505894044273868,0.6101813617983689
EOS-2-37385,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)nc2)cc1,DGJXSQQSGCGQCL-UHFFFAOYSA-N,2,1,0.512,77,323,481.903,5.136,6,0.322,0.75,1.0,0.7030361181550271,0.6390840243986019,0.7422040984168323,0.755439997258584,0.7099410595572613
EOS-2-37386,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)no4)n23)cc1-c1ccccc1,MOKSOXRCMQWPOR-UHFFFAOYSA-N,2,1,0.5,41,857,481.903,5.136,6,0.322,0.76,1.0,0.6607069426358714,0.7748954835172367,0.542449112466589,0.630028784867384,0.6520200808717702
EOS-2-37387,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5nc(-c6ccccc6)no5)n34)c2)cc1,RQRMNCGSQMIPRQ-UHFFFAOYSA-N,2,1,0.426,12,857,481.903,5.136,6,0.322,0.82,1.0,0.4684737166746625,0.5823281474881776,0.48761222671509835,0.5881879240627784,0.5316505037351792
EOS-2-37388,Clc1cccc(-c2nnc3cncc(OCc4cccc(-c5cc(-c6ccncc6)no5)n4)n23)c1,BFFSPPWDBSXORW-UHFFFAOYSA-N,2,1,0.551,28,667,481.903,5.136,6,0.322,0.71,1.0,0.40827393598793776,0.5769823864025769,0.6369679939688849,0.6533308203687205,0.56888878418203
EOS-2-37389,Clc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)cc2)c1,GQAIJECSMAHPKI-UHFFFAOYSA-N,2,1,0.541,12,427,481.903,5.136,6,0.322,0.71,1.0,0.8111078747172915,0.7403365088067987,0.6983757110547598,0.732129394832431,0.7454873723528204
EOS-2-37390,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccnc5Oc5ccc(Cl)cc5)n34)cc2)o1,RATIYVYNEWDMEY-UHFFFAOYSA-N,2,1,0.419,3,152,481.903,5.657,6,0.311,0.73,1.0,0.4738194777602632,0.5769909533273936,0.6044565142896305,0.6064183400726475,0.5654213213624837
EOS-2-37391,COc1ncc(-c2cccc(Cl)n2)cc1-c1cncc2nnc(-c3ccc(-c4ncco4)cc3)n12,WBDYECWOBVBLPH-UHFFFAOYSA-N,2,1,0.337,69,484,481.903,5.232,6,0.308,0.73,1.0,0.5184702899047358,0.4537386059899938,0.62512850387225,0.582165375916661,0.5448756939209101
EOS-2-37392,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)cn1,PLRVGXSZCMNSNL-UHFFFAOYSA-N,2,1,0.477,12,285,481.903,5.136,6,0.301,0.8,1.0,0.6791600986909739,0.7878229730655884,0.5492255499965732,0.6215132615996162,0.659430470838188
EOS-2-37393,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(-c6ccccc6)o5)n4)n23)cc1,XAJXMOMUBGGALQ-UHFFFAOYSA-N,2,1,0.517,12,897,481.903,5.136,6,0.322,0.83,0.999,0.672889109725173,0.8829843739291344,0.49080768967171545,0.5566359399629909,0.6508292783222535
EOS-2-37394,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4Cl)cn3)n12,GZMGWPUEGWMONI-UHFFFAOYSA-N,2,1,0.315,30,737,481.903,5.232,6,0.329,0.68,1.0,0.4312589952710575,0.47113803029264617,0.7217291481049962,0.7214207388115962,0.586386728120074
EOS-2-37395,Clc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cc2)nn1,OPZLQFWUVJLDPR-UHFFFAOYSA-N,2,1,0.537,77,323,481.903,5.136,6,0.322,0.69,1.0,0.8506442327462134,0.7308871907340141,0.7609656637653348,0.740096634911932,0.7706484305393735
EOS-2-37396,Clc1cccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)c2)c1,MVEOGKNDIWORJZ-UHFFFAOYSA-N,2,1,0.533,12,994,481.903,5.136,6,0.322,0.69,1.0,0.4267870605167569,0.5670790213145089,0.6306970050030841,0.6826297032417243,0.5767981975190186
EOS-2-37397,Clc1cncc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,YJGYWBRYGYUFEO-UHFFFAOYSA-N,2,1,0.489,77,323,481.903,5.136,6,0.322,0.7,1.0,0.8845349873209513,0.7449540812829827,0.7540435885134672,0.7554485641834007,0.7847453053252005
EOS-2-37398,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)c2)cc1,JPYMDYDNTMRWLL-UHFFFAOYSA-N,2,1,0.512,77,323,481.903,5.136,6,0.322,0.71,1.0,0.6761531080803235,0.6248115276540334,0.742212665341649,0.7607257898704681,0.7009757727366185
EOS-2-37399,Clc1cnc(-c2ccccn2)cc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,GMMNQIMABXTGMY-UHFFFAOYSA-N,2,1,0.467,40,611,481.907,4.266,6,0.374,0.66,1.0,0.8483225961208964,0.7356075663079981,0.552583784524707,0.5467068741004729,0.6708052052635186
EOS-2-37400,COc1ccc(-c2ncccc2-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)cc1,OMSGZDQSGMEOEI-UHFFFAOYSA-N,2,1,0.375,3,158,481.907,4.158,6,0.361,0.67,0.998,0.08445274484271126,0.32713659104927695,0.3532657117401138,0.4375556850113083,0.3006026831608526
EOS-2-37401,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccc(Cl)cn6)cc5)n34)nn2)cn1,NVAIOVOTEJXKQT-UHFFFAOYSA-N,2,1,0.438,67,622,481.907,4.49,6,0.354,0.72,1.0,0.4809985607566308,0.5487800699061065,0.5525923514495237,0.540024672743472,0.5305989137139332
EOS-2-37402,Clc1ccc(-n2nnnc2COc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)cc1,XSRBSJHWYLGQLR-UHFFFAOYSA-N,2,1,0.423,77,807,481.907,4.061,6,0.35,0.7,1.0,0.36825783016928243,0.5438626550613391,0.257376122267151,0.4186741827153725,0.39704269755328625
EOS-2-37403,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccc4)n23)nc1,ULDGSQGXETUOOD-UHFFFAOYSA-N,2,1,0.347,67,622,481.907,4.49,6,0.331,0.66,1.0,0.5629326297032418,0.5769995202522102,0.34957336714412995,0.39965560962236996,0.472290281680488
EOS-2-37404,Clc1nccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)n1,OLLNEXBJRWLOBK-UHFFFAOYSA-N,2,1,0.505,40,932,481.907,4.061,6,0.327,0.65,1.0,0.37519703927078335,0.43173017613597425,0.5118480570214515,0.47529298882873006,0.4485170653142348
EOS-2-37405,Clc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)nn1,UMSSFMZHZIEWFC-UHFFFAOYSA-N,2,1,0.455,81,763,481.907,4.266,6,0.374,0.57,1.0,0.6638253032691385,0.6636796655472551,0.4805959152902474,0.49035364265643205,0.5746136316907683
EOS-2-37406,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nncn5-c5ccccc5)nn4)n23)cc1,XRNRRKLGRNNNOU-UHFFFAOYSA-N,2,1,0.505,81,807,481.907,4.061,6,0.35,0.73,0.828,0.5854036734973613,0.7356161332328147,0.3644369817010486,0.4753015557535467,0.5401895860461929
EOS-2-37407,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)cn1,PPEZQTWQBACPKX-UHFFFAOYSA-N,2,1,0.461,67,870,481.907,4.49,6,0.354,0.75,1.0,0.5184788568295524,0.6108817079021315,0.45948701254197793,0.5097320265917347,0.5246449009663491
EOS-2-37408,Clc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)cn1,MNXDFCCPADGPGE-UHFFFAOYSA-N,2,1,0.434,81,763,481.907,4.266,6,0.35,0.61,1.0,0.6057244191624974,0.6831865533548077,0.5559762867521074,0.5630268658762251,0.6019785312864094
EOS-2-37409,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6noc(C)n6)c(Cl)c5)n34)cc2)cn1,HZAFCMWPNLWPND-UHFFFAOYSA-N,2,1,0.309,42,725,481.907,4.631,6,0.354,0.65,1.0,0.22180625042834623,0.3804228634089507,0.2870947844561716,0.3169076828181756,0.30155789527791105
EOS-2-37410,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(-c6ccccn6)nn5)nc4)n23)cc1,WWSVBNDLMZVRNC-UHFFFAOYSA-N,2,1,0.551,28,177,481.907,4.061,6,0.35,0.71,0.99,0.5266260023302035,0.6440442738674526,0.44890686039339317,0.4933263655678158,0.5282258755397163
EOS-2-37411,Clc1cccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)c1,MLEKBHNTNSYAKZ-UHFFFAOYSA-N,2,1,0.484,77,763,481.907,4.266,6,0.374,0.67,1.0,0.5854122404221781,0.7261411143855802,0.4666832293879789,0.5367692413131382,0.5787514563772189
EOS-2-37412,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ncn(-c6ccccc6)n5)n34)c2)cn1,JNWZXEZUJLTCKJ-UHFFFAOYSA-N,2,1,0.406,28,807,481.907,4.061,6,0.327,0.67,1.0,0.292449112466589,0.36591905969433214,0.4235316290864231,0.47531012267836337,0.3893024809814269
EOS-2-37413,COc1cc(-c2cncc(Cl)n2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,MSONWSMVVDFLHI-UHFFFAOYSA-N,2,1,0.368,9,7,481.907,4.362,6,0.385,0.67,1.0,0.37763861284353367,0.33660304297169485,0.5945959838256459,0.5531577684874237,0.46549885203207453
EOS-2-37414,Clc1ccnc(-c2ccnnc2COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,GLIPFGQLMVZHDX-UHFFFAOYSA-N,2,1,0.439,81,763,481.907,4.266,6,0.374,0.47,1.0,0.6308512096497841,0.6686142142416558,0.5220855321773696,0.5663079980810088,0.5969647385374546
EOS-2-37415,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)nc4)n23)c1,OKJZQZJUHHTDGA-UHFFFAOYSA-N,2,1,0.466,6,981,481.907,3.861,6,0.349,0.58,0.979,0.8506527996710301,0.9174662463162223,0.4383352751696251,0.49333493249263244,0.6749473134123775
EOS-2-37416,Clc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)c1,JETWWFBFJAMZTR-UHFFFAOYSA-N,2,1,0.426,40,518,481.907,4.266,6,0.374,0.69,1.0,0.7247875402645466,0.7261496813103968,0.5590860804605579,0.5756802138304434,0.6464258789664862
EOS-2-37417,COc1nc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)ccc1Cl,FSZCMZMSFNLIMA-UHFFFAOYSA-N,2,1,0.375,30,705,481.907,4.158,6,0.361,0.71,0.943,0.13358405866630113,0.34164039476389557,0.33470118566239465,0.38392673565896784,0.2984630936878898
EOS-2-37418,Clc1cncc(COc2cncc3nnc(-c4ccc(-n5cccn5)cc4)n23)c1-c1cccnn1,VFINXUVMMADJRP-UHFFFAOYSA-N,2,1,0.467,40,932,481.907,4.061,6,0.35,0.62,1.0,0.5059882804468508,0.480193269823864,0.5424576793914057,0.5566445068878075,0.521320934137482
EOS-2-37419,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)nc4)n23)c1,VCHKICIVEXSNKQ-UHFFFAOYSA-N,2,1,0.451,6,304,481.907,3.861,6,0.349,0.5,0.756,0.7427695154547324,0.8961860050716195,0.3907288739634021,0.45665992735247757,0.621586080460558
EOS-2-37420,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)n5)n34)cc2)cc1,FIZQDFBMHPQXBV-UHFFFAOYSA-N,2,1,0.517,12,492,481.907,4.266,6,0.374,0.78,1.0,0.5913405523953121,0.7403450757316153,0.5290161743540539,0.6064269069974642,0.6167821773696114
EOS-2-37421,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6cc[nH]n6)n5)n34)c2)nc1,JLUXLTQBQCZVKC-UHFFFAOYSA-N,2,1,0.44,28,414,481.907,4.266,6,0.374,0.56,0.999,0.5184874237543692,0.5670875882393256,0.5083698855458845,0.5167140703173189,0.5276647419642245
EOS-2-37422,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnn(-c6ccccc6)n5)cn4)n23)cc1,JNSNBMSVWCRZKX-UHFFFAOYSA-N,2,1,0.539,77,177,481.907,4.061,6,0.35,0.71,1.0,0.4612346652045782,0.7078507299019944,0.36809505859776576,0.447364813926393,0.49613631690768284
EOS-2-37423,Clc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)ccn1,WMJWUJCKJQBYSL-UHFFFAOYSA-N,2,1,0.439,81,763,481.907,4.266,6,0.35,0.66,1.0,0.6169470906723322,0.6588222191762045,0.5590946473853745,0.5663165650058255,0.6002951305599342
EOS-2-37424,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6c[nH]nn6)n5)n34)c2)nc1,HJICICNLFHBIEG-UHFFFAOYSA-N,2,1,0.455,81,218,481.907,4.266,6,0.374,0.62,1.0,0.45682269892399424,0.5211603042971695,0.5154890000685354,0.5467154410252896,0.5100468610787472
EOS-2-37425,Clc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)nn1,BSQNXCHRVJQOPN-UHFFFAOYSA-N,2,1,0.512,12,285,481.907,4.061,6,0.35,0.6,1.0,0.3334247138647111,0.5211688712219862,0.36444554862586526,0.4566684942772942,0.4189269069974642
EOS-2-37426,Clc1c[nH]nc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)cc1,JTMKLAHOLUSADW-UHFFFAOYSA-N,2,1,0.505,40,868,481.907,4.266,6,0.374,0.66,1.0,0.6543417174970872,0.6734202590638064,0.6307055719279008,0.6271588650538003,0.6464066033856487
EOS-2-37427,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)n(C)n2)nn1,YLCHUBGLHZXIQY-UHFFFAOYSA-N,2,1,0.31,98,63,481.911,3.463,6,0.372,0.68,0.998,0.09887944623397985,0.20073161537934342,0.14564628880816943,0.2003632376122267,0.16140514700842987
EOS-2-37428,Cc1cnc(-c2nc(Cl)ccc2-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)nc1,MHVTZHDHSZPZTN-UHFFFAOYSA-N,2,1,0.299,25,213,481.911,3.463,6,0.348,0.7,1.0,0.18594510314577478,0.2713916112672195,0.10814029196079775,0.1783890754574738,0.18596652045781648
EOS-2-37429,Fc1ccc2c(COc3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)cc5)n34)ccnc2c1,PAJLNNHRJKWLMV-UHFFFAOYSA-N,2,1,0.566,83,492,481.918,6.378,6,0.286,0.82,1.0,0.9846395038037146,0.9791909396203139,0.9560945103145775,0.9679340004112124,0.9719647385374546
EOS-2-37430,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)c(F)c4)n23)nc1,FYOKLWIIPGJVAV-UHFFFAOYSA-N,2,1,0.368,3,74,481.922,5.713,6,0.322,0.68,1.0,0.21361627030361183,0.4087536837776712,0.8962973750942361,0.9148362003975054,0.6083758823932561
EOS-2-37431,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)cc5)n34)c(F)c2)cn1,ZNZWGNZVSRMGJS-UHFFFAOYSA-N,2,1,0.351,69,30,481.922,5.713,6,0.301,0.7,1.0,0.24946028373654994,0.3897693783839353,0.9287231855253238,0.9323127270235076,0.6250663936673292
EOS-2-37432,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)nc4F)n23)cc1,VPNRYCLJIBGZAM-UHFFFAOYSA-N,2,1,0.377,69,867,481.922,5.713,6,0.301,0.76,1.0,0.295284764580906,0.3993814680282366,0.8397299705297786,0.8660132958673155,0.6001023747515593
EOS-2-37433,Cn1cc(Cl)nc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)cc1,TYTGDNUCIOHEKM-UHFFFAOYSA-N,2,1,0.329,69,484,481.922,5.713,6,0.322,0.68,1.0,0.31353231444040847,0.42264923583030634,0.834795421835378,0.862672195188815,0.6084122918237269
EOS-2-37434,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4c(F)cccc4Cl)cn3)n12,KLJJZZVKAJCRMM-UHFFFAOYSA-N,2,1,0.321,30,737,481.922,5.713,6,0.322,0.73,0.99,0.12509423617298335,0.2765917346309369,0.7471729148104996,0.8400126790487287,0.4972178911657871
EOS-2-37435,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)c(-c6ccccc6)cc5F)n34)nc2)cn1,AMTFGXAIIXYFLW-UHFFFAOYSA-N,2,1,0.342,30,192,481.922,5.713,6,0.322,0.64,1.0,0.16636967993968885,0.37567678706051677,0.892690699746419,0.9091734630936879,0.5859776574600781
EOS-2-37436,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)c(F)c4)n23)nc1,JCOLGNZTMJZWKG-UHFFFAOYSA-N,2,1,0.378,3,74,481.922,5.713,6,0.322,0.7,1.0,0.19425502021794258,0.3564012062230142,0.8890411897745185,0.9091820300185045,0.5872198615584949
EOS-2-37437,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)ccc1-c1sncc1OC,VEHVRYZOXONFRV-UHFFFAOYSA-N,2,1,0.471,16,248,481.925,3.954,5,0.319,0.59,1.0,0.6513175930368035,0.5968062504283462,0.4270526351860736,0.280044205332054,0.4888051709958194
EOS-2-37438,COc1nc(OC)nc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5OC)n34)s2)n1,PVTCJAZYKRLXID-UHFFFAOYSA-N,2,1,0.365,50,985,481.925,4.051,5,0.354,0.65,0.984,0.4473819477760263,0.42703550133644025,0.1580254951682544,0.10366835720649716,0.28402782537180454
EOS-2-37439,COc1csc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(OC)c5)n34)nn2)n1,RCYUDGOVIYWAGR-UHFFFAOYSA-N,2,1,0.484,4,67,481.925,3.954,5,0.341,0.71,1.0,0.5444709067233225,0.740353642656432,0.30143581659927354,0.22363957233911316,0.45247498457953533
EOS-2-37440,COc1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1nccs1,MQYREHFNNASRRA-UHFFFAOYSA-N,2,1,0.57,91,313,481.94,5.337,5,0.312,0.78,1.0,0.9479130971146598,0.9135854293742718,0.7990113768761565,0.7633387019395518,0.85596215132616
EOS-2-37441,CCn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccc(Cl)c5)n34)o2)c(C)n1,YVRPTGKGIYZCRO-UHFFFAOYSA-N,2,1,0.341,32,750,481.947,5.959,6,0.302,0.68,1.0,0.22470187101637995,0.3022668083064903,0.4806044822150641,0.5301641422794874,0.38443432595435545
EOS-2-37442,CCCn1nc(-c2ccc(Cl)nc2)cc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,JACXSGQQJLUZMZ-UHFFFAOYSA-N,2,1,0.284,9,787,481.951,5.17,6,0.329,0.7,1.0,0.12236995408128298,0.23529059008978137,0.35327427866493044,0.43475430059625797,0.2864222808580632
EOS-2-37443,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)c(Cl)c5)n34)nc2)n1C,QLSFFNJMNDUITA-UHFFFAOYSA-N,2,1,0.318,98,314,481.951,4.616,6,0.365,0.65,1.0,0.16637824686450553,0.24083339044616545,0.46669179631279556,0.4535844013432938,0.33187195874169007
EOS-2-37444,Clc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cc2)cc1,VQFYBZHQTKEGOM-UHFFFAOYSA-N,2,1,0.584,21,492,481.968,7.028,6,0.264,0.81,1.0,0.7216349119320129,0.8664416421081489,0.8890497566993352,0.9058837639640874,0.8457525186758961
EOS-2-37445,CC(C)Oc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)n[nH]1,HMRVTSTUMXVTGA-UHFFFAOYSA-N,2,1,0.436,87,227,481.969,4.7,5,0.342,0.49,0.998,0.6700877253101227,0.62482009457885,0.5083784524707011,0.41868274964018914,0.5554922554999657
EOS-2-37446,CCOc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)nn2C)cc1Cl,VYTJFTGTLMXYFQ-UHFFFAOYSA-N,2,1,0.442,95,569,481.969,4.322,5,0.326,0.58,0.997,0.3108165992735248,0.27660030155575355,0.25036837776711673,0.2154238914399287,0.26330229250908094
EOS-2-37447,CCOc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1nccn1C,CLMIYEWKNJTVSS-UHFFFAOYSA-N,2,1,0.414,31,551,481.969,4.322,5,0.326,0.66,1.0,0.5085240901925845,0.4041618120759372,0.15474436296347063,0.1370022616681516,0.301108131725036
EOS-2-37448,Cc1nc(Cl)cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)n1,ZYWRYJUQYYNXMI-UHFFFAOYSA-N,2,1,0.392,93,651,481.972,6.001,6,0.287,0.69,1.0,0.17722397368240697,0.3659276266191488,0.5011479679254335,0.603077239394147,0.41184420190528404
EOS-2-37449,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)c(-c2ccc(Cl)cc2)n1,ORTFMAHHOMWTGI-UHFFFAOYSA-N,2,1,0.333,32,57,481.972,6.001,6,0.307,0.66,0.96,0.22471043794119663,0.4317387430607909,0.6519001439243369,0.7077993283530943,0.5040371633198547
EOS-2-37450,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5Cl)s4)n23)cc1,XJDSMQHLXFAIER-UHFFFAOYSA-N,2,1,0.338,93,641,481.972,6.001,6,0.287,0.69,1.0,0.17161263792748954,0.33661160989651157,0.5355441710643547,0.6533393872935371,0.42427695154547324
EOS-2-37451,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5csc(-c6ccc(Cl)nc6)n5)n34)cc2)n1,SXXYSRNLSKYXAG-UHFFFAOYSA-N,2,1,0.325,69,532,481.972,6.001,6,0.287,0.69,1.0,0.1251028030978,0.35640977314783084,0.6103505585634981,0.6447981632513193,0.434165324515112
EOS-2-37452,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5cccc(Cl)c5)n34)nc2)cs1,OUNFLDHHFMTDPS-UHFFFAOYSA-N,2,1,0.354,32,20,481.972,6.001,6,0.307,0.81,0.957,0.10157802755123022,0.2714001781920362,0.5851209649784114,0.6561921732574875,0.4035728359947913
EOS-2-37453,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cc(-c6cccnn6)ccc5Cl)n34)cc2)s1,XOUOSTNYFLIUAE-UHFFFAOYSA-N,2,1,0.317,69,152,481.972,6.001,6,0.307,0.71,1.0,0.1582396682886711,0.3611044479473648,0.6711842916866562,0.7160150092522788,0.4766358542937427
EOS-2-37454,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5cncc(Cl)c5)cs4)n23)cc1,SURLHUINSSEUAZ-UHFFFAOYSA-N,2,1,0.31,32,479,481.972,6.001,6,0.307,0.71,1.0,0.2301761359742307,0.40417037900075387,0.5882478925364951,0.647642382290453,0.46755919745048313
EOS-2-37455,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(Cl)c6)cn5)n34)cc2)cs1,SJLFWOYHDJQJBI-UHFFFAOYSA-N,2,1,0.314,69,532,481.972,6.001,6,0.287,0.74,1.0,0.20539202247961072,0.3611130148721815,0.7059660064423274,0.7214293057364128,0.49847508738263313
EOS-2-37456,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnc(C6CC6)s5)nc4)n23)s1,LGCAOFUACMNRQF-UHFFFAOYSA-N,2,1,0.469,58,954,481.994,4.919,6,0.326,0.69,0.985,0.6169556575971489,0.7921578370228223,0.02274518538825303,0.10778048111849771,0.3849097902816805
EOS-2-37457,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4C#N)n23)s1,AEBXDDBKRPBSTQ-UHFFFAOYSA-N,2,1,0.325,50,155,417.885,4.445,5,0.433,0.75,0.782,0.23584744020286477,0.4136368309231718,0.6307141388527174,0.707807895277911,0.49700157631416625
EOS-2-37458,CCOc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,ABAWFINHYQBADF-UHFFFAOYSA-N,2,1,0.391,61,697,417.86,4.296,5,0.458,0.68,1.0,0.42679562744157357,0.5346360770337879,0.640240559248852,0.6418854088136523,0.5608894181344665
EOS-2-37459,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,ONXCAPGAXWUGTE-UHFFFAOYSA-N,2,1,0.676,43,250,417.86,3.819,5,0.432,0.75,1.0,0.9035107257898705,0.8884329381125351,0.585129531903228,0.6300373517922007,0.7517776368994586
EOS-2-37460,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1,QTAIFGDTDPVHRC-UHFFFAOYSA-N,2,1,0.58,4,22,417.86,3.819,5,0.432,0.7,1.0,0.642433692001919,0.592068741004729,0.6490901925844699,0.6389983551504352,0.6306477451853882
EOS-2-37461,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4)n23)cc1,CKVCFRQZSTZUEH-UHFFFAOYSA-N,2,1,0.708,43,520,417.86,3.819,5,0.432,0.8,1.0,0.8707165375916661,0.7791532451511205,0.6074035364265643,0.6390069220752519,0.7240700603111507
EOS-2-37462,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccccn2)n1,ZKRHZBHWZOCXRU-UHFFFAOYSA-N,2,1,0.608,43,32,417.86,3.819,5,0.432,0.75,1.0,0.6139572339113152,0.7492204098416833,0.4419076828181756,0.5033411006785005,0.5771066068124187
EOS-2-37463,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)n1,AMDKUHKBUOSTJE-UHFFFAOYSA-N,2,1,0.595,4,32,417.86,3.819,5,0.432,0.72,1.0,0.5342591323418545,0.7836080460557878,0.607412103351381,0.6003101226783634,0.6313973511068467
EOS-2-37464,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(OCc3ccc(Cl)nc3)n12,LWNWSHXMSZAXOM-UHFFFAOYSA-N,2,1,0.466,44,992,417.86,3.819,5,0.404,0.76,0.997,0.47382804468507983,0.38483482968953464,0.40524981152765405,0.4723202659173463,0.4340582379549037
EOS-2-37465,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)cn1,RVQSLHWPQJNVEE-UHFFFAOYSA-N,2,1,0.566,15,669,417.86,3.851,5,0.422,0.66,1.0,0.9237115345075732,0.905506819272154,0.6874014803646084,0.6966880268658763,0.803326965252553
EOS-2-37466,Clc1cc(CCOc2cncc3nnc(-c4cccc(-c5cc[nH]n5)c4)n23)ccn1,LCNZFIAPSFUIOH-UHFFFAOYSA-N,2,1,0.535,15,438,417.86,3.851,5,0.422,0.61,1.0,0.8365859091220615,0.844955794667946,0.6251370707970667,0.644806730176136,0.7378713761908026
EOS-2-37467,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)n1,XNLMDMAJFVPQFE-UHFFFAOYSA-N,2,1,0.568,4,22,417.86,3.819,5,0.432,0.68,1.0,0.5134072373380851,0.5968148173531629,0.6012610513330136,0.5821739428414776,0.5734142622164349
EOS-2-37468,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2)c1,AIBKUIJYZQMNCN-UHFFFAOYSA-N,2,1,0.524,16,55,417.86,3.819,5,0.404,0.73,1.0,0.8161280926598589,0.6930299499691591,0.6794256733602906,0.641893975738469,0.7076194229319444
EOS-2-37469,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,AGMRFWABZVLTGE-UHFFFAOYSA-N,2,1,0.59,4,22,417.86,3.819,5,0.432,0.65,1.0,0.742778082379549,0.6390925913234186,0.5559848536769242,0.5436656157905558,0.6203802857926118
EOS-2-37470,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,FDKLYWKMSJTTAI-UHFFFAOYSA-N,2,1,0.5,16,55,417.86,3.819,5,0.404,0.63,1.0,0.6139658008361318,0.5487886368309232,0.6012696182578302,0.5790127475841272,0.5857592008772531
EOS-2-37471,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2)cn1,QYUAULHQZSTVJG-UHFFFAOYSA-N,2,1,0.595,4,519,417.86,3.819,5,0.432,0.72,1.0,0.45461243232129395,0.5716451922417929,0.6711928586114728,0.6562007401823041,0.588412805839216
EOS-2-37472,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1,MHZUDBHXGYXETL-UHFFFAOYSA-N,2,1,0.524,4,31,417.86,3.819,5,0.404,0.79,1.0,0.6761616750051401,0.5770080871770269,0.6103591254883147,0.5944589130285792,0.6144969501747652
EOS-2-37473,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2)cn1,VKZUXKWCEPJOOD-UHFFFAOYSA-N,2,1,0.538,16,519,417.86,3.819,5,0.404,0.75,1.0,0.6483363032006031,0.6295576040024673,0.7241021862792132,0.6855338907545747,0.6718824960592145
EOS-2-37474,Cn1ccc(-c2cncc(COc3cncc4nnc(-c5cccc(Cl)c5)n34)c2)n1,FDIDPSHDKCOKGK-UHFFFAOYSA-N,2,1,0.547,16,256,417.86,3.819,5,0.432,0.74,1.0,0.44992632444657665,0.5531149338633404,0.6369765608937016,0.6363169076828181,0.5690836817216092
EOS-2-37475,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,SJFVVHJGSQQURP-UHFFFAOYSA-N,2,1,0.74,91,273,417.86,3.851,5,0.451,0.76,1.0,0.9386608183126585,0.8984219724487698,0.6164159413336988,0.6533479542183538,0.7767116715783702
EOS-2-37476,Cn1cc(-c2cncc(COc3cncc4nnc(-c5cccc(Cl)c5)n34)c2)cn1,WLLDVJLSUVGMEM-UHFFFAOYSA-N,2,1,0.535,16,256,417.86,3.819,5,0.432,0.73,1.0,0.4590415324515112,0.5255979713522034,0.7059745733671441,0.6966965937906929,0.5968276677403879
EOS-2-37477,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,AMOPZXWTLKJMRZ-UHFFFAOYSA-N,2,1,0.554,4,32,417.86,3.819,5,0.432,0.81,1.0,0.4957850729901994,0.7492289767664999,0.5882564594613118,0.5944674799533959,0.6069344972928518
EOS-2-37478,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccccc5Cl)n34)c2)nn1,YOZWJNJZZHWWIX-UHFFFAOYSA-N,2,1,0.536,43,909,417.86,3.819,5,0.432,0.75,1.0,0.46379617572476184,0.5873397985059283,0.5915033239668289,0.6363254746076349,0.5697411932012885
EOS-2-37479,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,JXUUIEKFIDYOAA-UHFFFAOYSA-N,2,1,0.649,43,909,417.86,3.819,5,0.432,0.79,1.0,0.7063600849838941,0.8415804262901789,0.6337810979370845,0.6677403879103557,0.7123654992803783
EOS-2-37480,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,PKWFCIBEIJUYQT-UHFFFAOYSA-N,2,1,0.603,4,32,417.86,3.819,5,0.432,0.82,1.0,0.5342676992666713,0.7836166129806045,0.6768213282160236,0.6620519498320883,0.6641893975738469
EOS-2-37481,Cc1nc(-c2nnc3cncc(Oc4cncn4C)n23)ccc1-c1cccc(Cl)c1,VIEJBVNECNYHNX-UHFFFAOYSA-N,2,1,0.358,13,374,417.86,4.341,5,0.432,0.67,1.0,0.47877116030429717,0.4755842642724967,0.5458416146939894,0.5500137070797066,0.5125526865876224
EOS-2-37482,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,MPITYBOUQXWDGY-UHFFFAOYSA-N,2,1,0.645,16,32,417.86,3.819,5,0.432,0.84,1.0,0.6728976766499897,0.7791618120759373,0.6683315057227058,0.6533565211431704,0.6934368788979508
EOS-2-37483,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccncc5)n34)cc2Cl)cn1,CNEOTMYGLZKFTR-UHFFFAOYSA-N,2,1,0.564,16,256,417.86,3.819,5,0.432,0.76,1.0,0.5713025152491261,0.629566170927284,0.7393855801521486,0.7107549174148448,0.6627522959358508
EOS-2-37484,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)n1,ACFHNVHNIMIEJJ-UHFFFAOYSA-N,2,1,0.556,72,992,417.86,3.819,5,0.404,0.76,1.0,0.6820899869782743,0.5670961551641422,0.6546072921664039,0.6156877527242821,0.6298702967582757
EOS-2-37485,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2)n1,NQKQYCCHBCZXHK-UHFFFAOYSA-N,2,1,0.524,72,22,417.86,3.819,5,0.404,0.76,1.0,0.6638338701939552,0.6248286615036667,0.6630799808100885,0.6271674319786169,0.6447274861215818
EOS-2-37486,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1,SSXLZDXEBXEFJH-UHFFFAOYSA-N,2,1,0.518,16,55,417.86,3.819,5,0.404,0.72,1.0,0.7780224110753204,0.6490387910355698,0.7034730313206772,0.6677489548351724,0.6995707970666849
EOS-2-37487,Cn1nc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)cc1-c1cccnc1,CWOVVDNDISSBHQ-UHFFFAOYSA-N,2,1,0.518,95,965,417.86,3.819,5,0.432,0.82,1.0,0.43126756219587414,0.40876225070248784,0.5355527379891714,0.597380234391063,0.4932406963196491
EOS-2-37488,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)cc1,WNIBGLNIBAPBBD-UHFFFAOYSA-N,2,1,0.671,43,520,417.86,3.819,5,0.432,0.8,1.0,0.8683777671167158,0.7791703790007539,0.5915118908916456,0.6300459187170173,0.7172764889315331
EOS-2-37489,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)cn1,MBCVSWXBRFPOPF-UHFFFAOYSA-N,2,1,0.636,16,32,417.86,3.819,5,0.432,0.81,1.0,0.7030446850798437,0.8120759372215749,0.6794342402851072,0.6706959769721061,0.716312709889658
EOS-2-37490,Cn1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)n1,GWZJZRFKKCCUMA-UHFFFAOYSA-N,2,1,0.512,72,992,417.86,3.819,5,0.404,0.75,1.0,0.5184959906791858,0.49847508738263313,0.6369851278185182,0.6064354739222808,0.5650979199506545
EOS-2-37491,Cn1ncc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1-c1ccccc1,RHZYUSLFZCSWMN-UHFFFAOYSA-N,2,1,0.494,16,256,417.86,3.819,5,0.432,0.7,1.0,0.4638047426495785,0.4041789459255706,0.4839884175176479,0.5531663354122405,0.47628461037625935
EOS-2-37492,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)ccn2)cn1,NQTJUQQMHLQOFB-UHFFFAOYSA-N,2,1,0.595,13,374,417.86,4.515,5,0.418,0.79,1.0,0.3544736481392639,0.43630491398807486,0.5658111164416421,0.5881964909875951,0.486196542389144
EOS-2-37493,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)n[nH]2)cc1,AXNYTSJLDMTCSK-UHFFFAOYSA-N,2,1,0.527,11,275,417.86,3.851,5,0.451,0.79,0.992,0.5854208073469948,0.5716537591666095,0.487620793639915,0.5790213145089439,0.5559291686656158
EOS-2-37494,Cn1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c(-c2ccccc2)n1,SBGPXGREJIZNDT-UHFFFAOYSA-N,2,1,0.512,16,992,417.86,3.819,5,0.404,0.74,1.0,0.452316496470427,0.36593619354396545,0.47689500376944693,0.5199952025221026,0.4537857240764855
EOS-2-37495,Cn1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cc5)c4)n23)n1,SKBKUWGLVXACCT-UHFFFAOYSA-N,2,1,0.488,4,137,417.86,3.819,5,0.432,0.72,1.0,0.36604756356658213,0.5163285587005688,0.6103676924131314,0.6363340415324515,0.5322694640531834
EOS-2-37496,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cnn(C)c4)nc3)n12,RMXJXLFKRNBCOU-UHFFFAOYSA-N,2,1,0.369,96,985,417.86,3.916,5,0.44,0.77,1.0,0.2247190048660133,0.3848433966143513,0.6630885477349051,0.6185405386882324,0.4727978719758755
EOS-2-37497,CCn1cc(-c2cc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)ccn2)cn1,XEFOQKQXOSBJHY-UHFFFAOYSA-N,2,1,0.598,13,374,417.86,4.515,5,0.418,0.77,1.0,0.3207799328353094,0.42704406826125696,0.5526009183743403,0.5821825097662943,0.47065185730930026
EOS-2-37498,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)cn1,GBOQOECGNYAHFD-UHFFFAOYSA-N,2,1,0.577,13,374,417.86,4.341,5,0.432,0.77,1.0,0.41286580768967174,0.4888715646631485,0.5390737440888219,0.5467240079501062,0.49688378109793707
EOS-2-37499,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)ccn1,YAPRDPBGDQQADO-UHFFFAOYSA-N,2,1,0.603,13,374,417.86,4.341,5,0.432,0.73,1.0,0.40186587622507025,0.4537471729148105,0.5492341169213899,0.5597114659721746,0.49113965800836135
EOS-2-37500,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1,PDNKCWYSGSMLIK-UHFFFAOYSA-N,2,1,0.55,16,22,417.86,3.819,5,0.432,0.7,1.0,0.6969878692344595,0.5487972037557398,0.6656671921047221,0.6448152971009526,0.6390668905489685
EOS-2-37501,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)n1,OFHUJCMUWWWBBJ-UHFFFAOYSA-N,2,1,0.488,72,22,417.86,3.819,5,0.404,0.78,1.0,0.4382581728462751,0.5256065382770201,0.6131776437529984,0.6030858063189637,0.5450320402988144
EOS-2-37502,Cn1nccc1-c1ncccc1COc1cncc2nnc(-c3cccc(Cl)c3)n12,UKPQDKRQHXEUFV-UHFFFAOYSA-N,2,1,0.547,43,389,417.86,3.819,5,0.432,0.76,1.0,0.46627201699677884,0.5391851141114385,0.49407168802686585,0.530172709204304,0.5074253820848469
EOS-2-37503,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)cn1,WCOUESFPEOELQV-UHFFFAOYSA-N,2,1,0.554,55,109,417.86,3.819,5,0.432,0.78,1.0,0.6881725035981084,0.6440528407922692,0.6307227057775341,0.6363426084572682,0.649822664656295
EOS-2-37504,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1,DDUBIJCQMVCNOJ-UHFFFAOYSA-N,2,1,0.542,16,55,417.86,3.819,5,0.432,0.73,1.0,0.7835223768076212,0.6159875950928655,0.690142896305942,0.6707045438969228,0.6900893530258378
EOS-2-37505,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)cn1,JYYFHLWKNCADQI-UHFFFAOYSA-N,2,1,0.582,4,519,417.86,3.819,5,0.432,0.77,1.0,0.4761496813103968,0.5968233842779795,0.6656757590295388,0.6419025426632856,0.5951378418203002
EOS-2-37506,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2)cn1,UCGXVRJLXVNWFP-UHFFFAOYSA-N,2,1,0.57,16,519,417.86,3.819,5,0.404,0.79,1.0,0.6365567815776849,0.5671047220889589,0.7161349461997122,0.6735059283119731,0.6483255945445823
EOS-2-37507,Cc1ccc(-c2nnc3cncc(OCc4nncn4-c4ccc(Cl)cc4)n23)cc1,KXXQCYFPAVSXOA-UHFFFAOYSA-N,2,1,0.542,43,612,417.86,3.913,5,0.431,0.78,1.0,0.6196542389143993,0.6391011582482352,0.5255808375025701,0.5944760468782126,0.5947030703858543
EOS-2-37508,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,HTHCURHYCXCALP-UHFFFAOYSA-N,2,1,0.518,16,256,417.86,3.819,5,0.432,0.76,1.0,0.4984665204578165,0.4841940237132479,0.695685696662326,0.6795541772325406,0.5894751045164828
EOS-2-37509,COc1ncccc1-n1cc(-c2cncc3nnc(-c4ccc(Cl)c(C)c4)n23)cn1,WCBGLBGVKZYOTK-UHFFFAOYSA-N,2,1,0.337,96,246,417.86,4.009,5,0.439,0.72,1.0,0.17723254060722363,0.3659447604687821,0.5787814406140772,0.5400332396682886,0.41549799533959286
EOS-2-37510,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)n[nH]1,DWMLCPIBFBDKDI-UHFFFAOYSA-N,2,1,0.541,4,22,417.86,4.117,5,0.462,0.67,1.0,0.6729062435748064,0.7261582482352135,0.6222757179082996,0.6095367007059146,0.6577192276060585
EOS-2-37511,COc1cc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4)n23)ccc1Cl,OPXVWDLFOXXPGF-UHFFFAOYSA-N,2,1,0.345,82,478,417.86,3.916,5,0.44,0.8,1.0,0.33826502638612843,0.43174730998560756,0.5915204578164622,0.5500222740045233,0.4778887670481804
EOS-2-37512,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5cc[nH]n5)c4)n23)c1,FECNSZKEVZIQHP-UHFFFAOYSA-N,2,1,0.605,11,159,417.86,3.851,5,0.451,0.61,1.0,0.8136779521622918,0.7791789459255706,0.5946045507504626,0.6363511753820849,0.7059531560551024
EOS-2-37513,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,MJJUROWVWVOGHJ-UHFFFAOYSA-N,2,1,0.541,15,273,417.86,3.851,5,0.451,0.65,1.0,0.9426101706531423,0.9005208690288534,0.6251456377218834,0.6533650880679871,0.7804104413679666
EOS-2-37514,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n1,AKNZKJOUWFXTLJ-UHFFFAOYSA-N,2,1,0.516,72,848,417.86,3.851,5,0.422,0.63,1.0,0.9066547871975875,0.8911657871290521,0.532211637310671,0.5695291618120759,0.7248903433623467
EOS-2-37515,COc1ccc(-c2c(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2C)cn1,IBPRKOXVDBXBQK-UHFFFAOYSA-N,2,1,0.407,96,46,417.86,3.916,5,0.44,0.79,1.0,0.28960489342745527,0.5074360907408677,0.5691265163456926,0.5630354328010417,0.48230073332876433
EOS-2-37516,Cc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)ccc1Cl,SHHPZOPAADMAOY-UHFFFAOYSA-N,2,1,0.548,4,547,417.86,3.913,5,0.431,0.71,1.0,0.38217051607155095,0.5716623260914262,0.6431790144609691,0.6243403467891165,0.5553380508532657
EOS-2-37517,COc1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccc(Cl)cc4)n23)cn1,AAHJYLIIFGBPPV-UHFFFAOYSA-N,2,1,0.369,96,336,417.86,3.916,5,0.44,0.77,1.0,0.25450620245356725,0.4491981358371599,0.5591032143101912,0.5597200328969913,0.45563189637447743
EOS-2-37518,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccncc2)n1,WLAHDBVGIXINKN-UHFFFAOYSA-N,2,1,0.632,16,32,417.86,3.819,5,0.432,0.77,1.0,0.5573127270235076,0.7449626482077993,0.5591117812350079,0.5914090877938455,0.6131990610650401
EOS-2-37519,Cc1c(-n2cccc2)cnnc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,DKJMFZLCCIDKJE-UHFFFAOYSA-N,2,1,0.561,4,32,417.86,3.913,5,0.431,0.73,1.0,0.619662805839216,0.7492375436913166,0.4594955794667946,0.5336508806798711,0.5905117024192995
EOS-2-37520,Cn1nc(-c2ccncc2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,VOHUNTFYZJLTSN-UHFFFAOYSA-N,2,1,0.577,4,32,417.86,3.819,5,0.432,0.74,1.0,0.5823452813378109,0.7921664039476389,0.5492426838462066,0.5756887807552601,0.6248607874717291
EOS-2-37521,Cn1ccnc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,DVGVVBZMVNTBME-UHFFFAOYSA-N,2,1,0.588,4,539,417.86,3.819,5,0.432,0.71,1.0,0.8111164416421082,0.8198290041806593,0.552609485299157,0.5663251319306422,0.6874700157631417
EOS-2-37522,Cn1cncc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,XTYLNFLDJSOEFK-UHFFFAOYSA-N,2,1,0.548,4,268,417.86,3.819,5,0.432,0.76,1.0,0.7488091974504831,0.8120845041463917,0.5526180522239736,0.5695377287368926,0.6707623706394352
EOS-2-37523,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,QTWBFMZVVNWHFN-UHFFFAOYSA-N,2,1,0.636,16,32,417.86,3.819,5,0.432,0.76,1.0,0.9335120964978412,0.857643410321431,0.5390823110136386,0.5531749023370571,0.720853180042492
EOS-2-37524,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)ccn1,JWMYAWZGICVRFV-UHFFFAOYSA-N,2,1,0.56,15,352,417.86,3.851,5,0.422,0.69,1.0,0.9377355904324584,0.9115893358919882,0.6983842779795765,0.7078164622027278,0.8138814166266878
EOS-2-37525,Cc1cc(Cl)ncc1COc1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,MIPDAGHUGNUISP-UHFFFAOYSA-N,2,1,0.518,97,409,417.856,4.987,5,0.375,0.74,1.0,0.9127373038174217,0.7836251799054211,0.8049653896237406,0.7781080803234871,0.8198589884175176
EOS-2-37526,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,JKGLGCLOELAVDQ-UHFFFAOYSA-N,2,1,0.632,1,709,417.856,4.987,5,0.401,0.8,1.0,0.9357394969501748,0.8984305393735864,0.5851380988280447,0.6562093071071208,0.7688793605647316
EOS-2-37527,Clc1ccccc1CCOc1cncc2nnc(-c3cccc(-c4ncco4)c3)n12,OJMKXXJVPFJYBJ-UHFFFAOYSA-N,2,1,0.727,91,660,417.856,4.721,5,0.397,0.8,1.0,0.8662274689877322,0.7957045438969228,0.7267407991227469,0.7504026454663834,0.7847688643684463
EOS-2-37528,Cc1onc(-c2ccccc2Cl)c1COc1cncc2nnc(-c3ccccc3)n12,NNLVOCPYFDSWIK-UHFFFAOYSA-N,2,1,0.564,1,709,417.856,4.987,5,0.401,0.8,1.0,0.754540470152834,0.7030446850798437,0.5458501816188062,0.630054485641834,0.6583724556233295
EOS-2-37529,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cc5)no4)n23)cc1,JXVANYGMRHQUHY-UHFFFAOYSA-N,2,1,0.623,1,230,417.856,4.987,5,0.401,0.86,1.0,0.9289202247961071,0.8638287300390651,0.7701322733191693,0.782622849701871,0.8363760194640532
EOS-2-37530,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccccc3)n12,ZZSPUEGZNMGHGL-UHFFFAOYSA-N,2,1,0.61,1,709,417.856,4.987,5,0.401,0.81,1.0,0.8807741073264341,0.8485282023164965,0.5818912343225275,0.6505979713522034,0.7404478788294153
EOS-2-37531,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(Cl)ccc5F)n34)cc2)nn1,XYYOTRHHWYHOMT-UHFFFAOYSA-N,2,1,0.387,45,46,417.835,4.411,5,0.432,0.85,1.0,0.36361455691864847,0.5716708930162429,0.7771657185936536,0.8318741004728942,0.6360813172503598
EOS-2-37532,Cc1cc(-c2nnc3cncc(-c4cnc(-c5ccc(F)nc5)nc4)n23)ccc1Cl,PRNJUXKGJXNTNS-UHFFFAOYSA-N,2,1,0.355,96,478,417.835,4.411,5,0.404,0.85,1.0,0.3821790829963676,0.5671132890137757,0.8049739565485573,0.8338958947296279,0.6470405558220821
EOS-2-37533,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cn2)cc1,VEAUPZSAMCLDNS-UHFFFAOYSA-N,2,1,0.613,57,480,417.831,5.438,5,0.389,0.89,1.0,0.7458022068398328,0.9156928928791721,0.92521074635049,0.9500376944691933,0.8841858851346721
EOS-2-37534,Fc1cc(-c2ccccc2)cnc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,WVCDMPGQOUMFFP-UHFFFAOYSA-N,2,1,0.521,57,417,417.831,5.438,5,0.389,0.85,1.0,0.942618737577959,0.9658693715303954,0.9042132136248372,0.927506682201357,0.9350520012336372
EOS-2-37535,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,OEWVDTVYUJVUTE-UHFFFAOYSA-N,2,1,0.43,57,616,417.831,5.438,5,0.389,0.84,1.0,0.7216434788568296,0.7620108285929683,0.9129257761633884,0.9392605030498252,0.8339601466657529
EOS-2-37536,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)nc1,IIMIWQVAQFTIPP-UHFFFAOYSA-N,2,1,0.616,57,480,417.831,5.438,5,0.389,0.85,1.0,0.9096703447330546,0.9708381879240627,0.9310790898499075,0.9479473648139264,0.9398837468302378
EOS-2-37537,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)c1,VJDIGKOEGCXPGT-UHFFFAOYSA-N,2,1,0.662,83,913,417.831,5.438,5,0.364,0.88,1.0,0.8188609416763758,0.9212442601603729,0.9410081557124255,0.9545524638475773,0.9089164553491879
EOS-2-37538,Fc1cccc(Cl)c1-c1nnc2cncc(Oc3ccc(-c4ccccc4)nc3)n12,AMCOZJUZFMREEK-UHFFFAOYSA-N,2,1,0.475,57,480,417.831,5.438,5,0.389,0.8,1.0,0.8004763210198067,0.8722243163593997,0.8926992666712357,0.9233174559660065,0.872179340004112
EOS-2-37539,Fc1ccccc1-c1ccnc(-c2nnc3cncc(Oc4ccccc4Cl)n23)c1,AHTFTTODOMKXSE-UHFFFAOYSA-N,2,1,0.414,57,616,417.831,5.438,5,0.389,0.8,1.0,0.6543502844219039,0.7492461106161332,0.9158727983003221,0.9457199643615928,0.816297289424988
EOS-2-37540,Fc1cc(Cl)ccc1-c1nnc2cncc(Oc3ccc(-c4ccccc4)nc3)n12,RNMBETBTLCLZPO-UHFFFAOYSA-N,2,1,0.494,57,480,417.831,5.438,5,0.389,0.84,1.0,0.882530326913851,0.9552463847577274,0.9111609896511548,0.9340603796861079,0.9207495202522102
EOS-2-37541,Fc1cc(Oc2cncc3nnc(-c4ccccc4-c4ccccn4)n23)ccc1Cl,BAXUXSRLORGEIW-UHFFFAOYSA-N,2,1,0.582,57,480,417.831,5.438,5,0.389,0.86,1.0,0.8899749845795353,0.8608731409773148,0.9139366732917552,0.9349684737166747,0.8999383181413201
EOS-2-37542,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,PEQOKNSXFPKHHT-UHFFFAOYSA-N,2,1,0.608,83,913,417.831,5.438,5,0.364,0.84,1.0,0.9081025974916044,0.967197244876979,0.9456428620382428,0.957807895277911,0.9446876499211843
EOS-2-37543,Fc1ccc(-c2cncc3nnc(-c4ccc(Cl)nc4)n23)c(Oc2ccccc2)c1,MSLJNQMJRSNBTL-UHFFFAOYSA-N,2,1,0.37,96,480,417.831,5.438,5,0.364,0.84,0.999,0.48604447947364815,0.7261668151600301,0.9177917894592557,0.940142896305942,0.767536495099719
EOS-2-37544,Fc1cc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)ccc1Cl,CKMSFBBZWKDZJY-UHFFFAOYSA-N,2,1,0.681,57,913,417.831,5.438,5,0.389,0.86,1.0,0.937744157357275,0.9298882873003906,0.9502604345144267,0.9602580357754781,0.9445377287368927
EOS-2-37545,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)cc1,INJPHLRSVLXLPD-UHFFFAOYSA-N,2,1,0.605,57,480,417.831,5.438,5,0.389,0.83,1.0,0.772102666027003,0.8449643615927627,0.9243283530943732,0.9441522171201425,0.8713868994585704
EOS-2-37546,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,LOTPAGBHWRCPRF-UHFFFAOYSA-N,2,1,0.419,57,616,417.831,5.438,5,0.389,0.87,1.0,0.7366527311356316,0.8120930710712083,0.912111918305805,0.9366647248303749,0.8493806113357549
EOS-2-37547,Fc1cc(Cl)cc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)c1,HSGYKTHGCAPJEP-UHFFFAOYSA-N,2,1,0.488,57,480,417.831,5.438,5,0.389,0.84,1.0,0.7063686519087109,0.8576519772462476,0.9101843602220547,0.9323212939483243,0.8516315708313345
EOS-2-37548,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,WFOMMSWWUKFTTE-UHFFFAOYSA-N,2,1,0.488,57,480,417.831,5.438,5,0.389,0.85,1.0,0.8086663011445412,0.8751199369474334,0.9149390034953053,0.9349770406414913,0.8834255705571928
EOS-2-37549,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5cccc(Cl)c5)n34)cn2)cc1,LHHWPVQPBQGFKH-UHFFFAOYSA-N,2,1,0.519,57,480,417.831,5.438,5,0.389,0.89,1.0,0.7573846891919677,0.9028939072030704,0.9269326982386402,0.947955931738743,0.8837918065931053
EOS-2-37550,Fc1cc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ccc1Cl,XARZBGFOCDXFNC-UHFFFAOYSA-N,2,1,0.538,57,480,417.831,5.438,5,0.389,0.89,1.0,0.8269395517784935,0.8238725926941265,0.9216469056267562,0.9441607840449592,0.8791549585360839
EOS-2-37551,Fc1cccc(-c2nnc3cncc(Oc4ccc(-c5cccc(Cl)c5)cn4)n23)c1,AKVHZLRAHQRQNE-UHFFFAOYSA-N,2,1,0.5,57,417,417.831,5.438,5,0.389,0.88,1.0,0.8086748680693578,0.8722328832842163,0.9269412651634569,0.9465338222191763,0.8885957096840519
EOS-2-37552,Fc1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)ccc1-c1ccccn1,QJECMUHYVGUPKN-UHFFFAOYSA-N,2,1,0.471,57,480,417.831,5.438,5,0.389,0.83,1.0,0.8506613665958468,0.8937444314988692,0.9216554725515729,0.9409824549379755,0.9017609313960662
EOS-2-37553,Oc1cccc(-c2cncc3nnc(-c4ccc(-c5cncc(F)c5)cc4)n23)c1Cl,OHEQUDGBGBOHKK-UHFFFAOYSA-N,2,1,0.329,96,558,417.831,5.018,5,0.446,0.72,1.0,0.5035295730244671,0.6060499623055308,0.9456514289630594,0.9607720512644781,0.7540007538893838
EOS-2-37554,Fc1cccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)c1,PNLBIIWDKYELRC-UHFFFAOYSA-N,2,1,0.557,57,480,417.831,5.438,5,0.389,0.9,1.0,0.6573058734836543,0.8001250771023234,0.9226064012062231,0.9513398670413269,0.832844304708382
EOS-2-37555,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)nc1,NZZMRTSNAKTXJS-UHFFFAOYSA-N,2,1,0.623,57,480,417.831,5.438,5,0.389,0.83,1.0,0.7185508189980124,0.8514923583030636,0.9196593790692893,0.9433212254129257,0.8582559454458227
EOS-2-37556,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)cc1,JDOLMYYXTDZHQM-UHFFFAOYSA-N,2,1,0.557,57,480,417.831,5.438,5,0.389,0.92,1.0,0.6700962922349394,0.8311373449386609,0.9226149681310397,0.9520166541018436,0.8439663148516208
EOS-2-37557,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)ccc1Cl,YKFYHPSFFMZFNL-UHFFFAOYSA-N,2,1,0.5,57,480,417.831,5.438,5,0.389,0.89,1.0,0.9396974162154753,0.9640960180933452,0.9269498320882736,0.9416849427729422,0.9431070522925091
EOS-2-37558,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)n1,MJIOZSGOOUQNGH-UHFFFAOYSA-N,2,1,0.391,54,411,417.82,2.666,5,0.397,0.66,1.0,0.4810071276814475,0.5391936810362552,0.16447638955520527,0.22364813926392982,0.3520813343842094
EOS-2-37559,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nn4)n23)cn1,GPIBBMFHCUVBQS-UHFFFAOYSA-N,2,1,0.449,55,875,417.82,2.666,5,0.397,0.56,1.0,0.5212288396957029,0.7356247001576314,0.3308546364197108,0.3548505928311973,0.48563969227606063
EOS-2-37560,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)nc1,CKTVPLDTUBITRQ-UHFFFAOYSA-N,2,1,0.389,51,435,417.82,2.666,5,0.425,0.67,1.0,0.541883695428689,0.5671218559385923,0.25738468919196766,0.29184942772942224,0.41455991707216777
EOS-2-37561,Clc1cncc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)c4)n23)n1,NDDKAXZRDLJAAJ-UHFFFAOYSA-N,2,1,0.396,2,435,417.82,2.666,5,0.425,0.69,1.0,0.5134158042629018,0.4984836543074498,0.36066753478171476,0.3965629497635529,0.44228248577890483
EOS-2-37562,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)n1,WMJVWJLQLZWYCH-UHFFFAOYSA-N,2,1,0.402,51,283,417.82,2.666,5,0.397,0.69,1.0,0.59977897333973,0.6783119731341237,0.22501028030978001,0.2471472140360496,0.4375621102049208
EOS-2-37563,Clc1ccnc(COc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)n1,UOOLAJZFGYYNBN-UHFFFAOYSA-N,2,1,0.429,51,441,417.82,2.666,5,0.397,0.63,1.0,0.5292903159481872,0.587348365430745,0.2719056267562196,0.2948649852648893,0.42085232335001027
EOS-2-37564,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)n1,MEJGWOZQGKXOLQ-UHFFFAOYSA-N,2,1,0.422,54,94,417.82,2.666,5,0.425,0.66,1.0,0.43331505722705776,0.5211774381468028,0.20424405455417724,0.26238777328490165,0.35528108080323484
EOS-2-37565,Cc1ncncc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)ncn1,ANMMAQQAHFHJAN-UHFFFAOYSA-N,2,1,0.327,46,395,417.82,3.187,5,0.406,0.68,1.0,0.5444794736481393,0.5028527859639503,0.3199061065040093,0.32290453018984305,0.42253572407648543
EOS-2-37566,Clc1ccnc(COc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)n1,VUZIIOOGWHDKBC-UHFFFAOYSA-N,2,1,0.358,51,160,417.82,2.666,5,0.397,0.73,1.0,0.41972791446782265,0.44920670276197655,0.2645552052635186,0.3044513741347406,0.3594852991570146
EOS-2-37567,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnn5)n4)n23)cc1,DAPHAELHSRWORN-UHFFFAOYSA-N,2,1,0.536,36,335,417.82,2.666,5,0.425,0.77,1.0,0.8058563498046741,0.9055153861969707,0.2503769446919334,0.3326451237063944,0.5735984510999931
EOS-2-37568,Clc1ccc(-c2nnc3cncc(OCc4ncnc(-c5cccnn5)n4)n23)cc1,GOSFZAUYSAYPIH-UHFFFAOYSA-N,2,1,0.536,36,839,417.82,2.666,5,0.425,0.77,1.0,0.8216280583921596,0.9157014598039888,0.16448495648002193,0.2532297306558838,0.5387610513330136
EOS-2-37569,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cn1,XPMBLOCTMBJRTG-UHFFFAOYSA-N,2,1,0.448,7,535,417.82,2.666,5,0.425,0.64,1.0,0.5212374066205195,0.6490473579603866,0.2683332191076691,0.2800527722568707,0.4296676889863615
EOS-2-37570,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cn1,FJVVTQWHFATVAP-UHFFFAOYSA-N,2,1,0.458,51,855,417.82,2.666,5,0.397,0.61,1.0,0.5970889589472963,0.80013364402714,0.33086320334452746,0.35178363374683025,0.5199673600164485
EOS-2-37571,Clc1cc(COc2cncc3nnc(-c4cc(-c5ccnnc5)ncn4)n23)ccn1,KZUYJKNPCGDZPF-UHFFFAOYSA-N,2,1,0.387,46,395,417.82,2.666,5,0.397,0.64,1.0,0.5185045576040025,0.4711465972174628,0.4052583784524707,0.4186913165650058,0.4534002124597354
EOS-2-37572,Clc1cccc(-c2cnc(-c3nnc4cncc(OCc5ncccn5)n34)nn2)c1,GRZAKYMATGRRBE-UHFFFAOYSA-N,2,1,0.416,51,446,417.82,2.666,5,0.425,0.71,1.0,0.4546209992461106,0.5074446576656844,0.12236995408128298,0.2236567061887465,0.3270230792954561
EOS-2-37573,Clc1ccc(COc2cncc3nnc(-c4ncc(-c5cncnc5)cn4)n23)nc1,YZCNYCFPNHUUSW-UHFFFAOYSA-N,2,1,0.494,7,435,417.82,2.666,5,0.425,0.66,0.998,0.4197364813926393,0.462631073949695,0.27954732369268726,0.3229130971146597,0.3712069940374203
EOS-2-37574,Clc1ccc(COc2cncc3nnc(-c4cnc(-c5ccncn5)nc4)n23)cn1,WHQLTZZDKDTZQF-UHFFFAOYSA-N,2,1,0.466,55,242,417.82,2.666,5,0.397,0.66,1.0,0.6820985539030909,0.5716794599410595,0.3014443835240902,0.31385785758344187,0.4672700637379206
EOS-2-37575,Clc1cncc(COc2cncc3nnc(-c4cc(-c5cncnc5)ncn4)n23)c1,ICTYELYOBOIMQS-UHFFFAOYSA-N,2,1,0.407,46,113,417.82,2.666,5,0.425,0.62,0.977,0.5713110821739429,0.5116767185251182,0.38717360016448493,0.412523130697005,0.47067113289013773
EOS-2-37576,Clc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cn2)cn1,XEVMBVKYIOAMRP-UHFFFAOYSA-N,2,1,0.471,55,434,417.82,2.666,5,0.397,0.66,1.0,0.5159601809334521,0.6734288259886231,0.2871033513809883,0.28897950791583854,0.44136796655472554
EOS-2-37577,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)nn1,GVWVQEPOXIOOHK-UHFFFAOYSA-N,2,1,0.471,2,36,417.82,2.666,5,0.425,0.68,1.0,0.42437975464327327,0.5300270714824207,0.3570265917346309,0.3872078678637516,0.4246603214310191
EOS-2-37578,Clc1ccc(COc2cncc3nnc(-c4cnc(-c5ccnnc5)nc4)n23)cn1,NZBBJQFFJVAJKG-UHFFFAOYSA-N,2,1,0.488,55,875,417.82,2.666,5,0.397,0.66,1.0,0.6223699540812829,0.5488057706805565,0.3454783770817627,0.36178123500788156,0.46960883421287086
EOS-2-37579,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)cnn1,MKZWUEOIVPGYGR-UHFFFAOYSA-N,2,1,0.429,55,283,417.82,2.666,5,0.425,0.67,1.0,0.6850798437392913,0.6686227811664724,0.34172606401206224,0.3517922006716469,0.5118052223973683
EOS-2-37580,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)nn2)cn1,YKEKKTYBARAKAA-UHFFFAOYSA-N,2,1,0.418,53,670,417.82,2.666,5,0.397,0.69,0.998,0.46124323212939483,0.5823367144129943,0.23973682406963195,0.29805188129668975,0.3953421629771777
EOS-2-37581,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,PSGIRHNZPXLOAT-UHFFFAOYSA-N,2,1,0.446,51,48,417.82,2.666,5,0.425,0.65,1.0,0.6139743677609485,0.6783205400589405,0.2113888698512782,0.23561613323281475,0.43482497772599554
EOS-2-37582,Clc1cncc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)c1,YSEDGUDYIYOSME-UHFFFAOYSA-N,2,1,0.444,2,435,417.82,2.666,5,0.425,0.68,1.0,0.4885288876704818,0.5920773079295456,0.3270937564251936,0.3681892947707491,0.44397231169899254
EOS-2-37583,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,IJKGRONELRHNIM-UHFFFAOYSA-N,2,1,0.767,48,305,417.803,4.063,4,0.422,0.79,1.0,0.9918785552737989,0.9885974230690151,0.9349684737166747,0.920181961483106,0.9589066033856487
EOS-2-37584,N#Cc1cc(-c2nnc3cncc(OCc4nnn(-c5ccc(Cl)cc5F)n4)n23)ccc1Cl,YRDJDCBMQFQBCD-UHFFFAOYSA-N,2,1,0.478,34,612,482.266,3.664,5,0.372,0.64,0.998,0.5059968473716675,0.7125368377767116,0.6683400726475225,0.8139692276060585,0.67521074635049
EOS-2-37585,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Br)n34)cn2)no1,NQLAAKDQHMQSGR-UHFFFAOYSA-N,2,1,0.477,59,332,482.273,4.025,5,0.37,0.69,1.0,0.6483448701254197,0.6979473648139264,0.4527362757864437,0.45359296826811046,0.5631553697484751
EOS-2-37586,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Br)o5)n34)nn2)c1,ZTCHAGHPEVILFZ-UHFFFAOYSA-N,2,1,0.421,54,411,482.273,3.759,5,0.361,0.58,0.882,0.7721112329518196,0.5716880268658763,0.4489154273182099,0.47531868960318,0.5670083441847715
EOS-2-37587,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cnc(Br)c(F)c4)n23)ncn1,SYFRFYCWYRNCGZ-UHFFFAOYSA-N,2,1,0.4,46,395,482.277,2.857,5,0.352,0.53,0.754,0.5418922623535056,0.3564183400726475,0.39447262010828593,0.34531560551024604,0.4095247070111713
EOS-2-37588,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Br)cn4)n23)c(F)c1,FYUXCWQLXSQUMS-UHFFFAOYSA-N,2,1,0.464,51,196,482.277,2.857,5,0.376,0.74,1.0,0.645295044890686,0.6345521211705846,0.2431378932218491,0.2591323418545679,0.4455293502844219
EOS-2-37589,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)c(Cl)cc1=O,SMIGLTCLBFQFNM-UHFFFAOYSA-N,2,1,0.418,51,196,482.291,2.623,5,0.372,0.63,0.999,0.5292988828730039,0.47559283119731344,0.16138372969638817,0.25323829758070043,0.3548784353368515
EOS-2-37590,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cnc(Cl)nc1,UKWCSUSAFHATBD-UHFFFAOYSA-N,2,1,0.362,51,924,482.291,3.328,5,0.333,0.58,0.901,0.6543588513467206,0.5770166541018436,0.26456377218833527,0.25914090877938456,0.43877004660407104
EOS-2-37591,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cnc(Cl)nn5)n4)n23)ccc1Cl,QULRGKCEEFXYNT-UHFFFAOYSA-N,2,1,0.442,7,212,482.291,3.328,5,0.356,0.66,1.0,0.7277602631759303,0.8082036872044411,0.38718216708930164,0.40569529161812073,0.5822103522719485
EOS-2-37592,COc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,PTGXCMNKFJYKSR-UHFFFAOYSA-N,2,1,0.446,73,775,482.291,3.328,5,0.356,0.55,1.0,0.5546826811047906,0.5531235007881571,0.1869302994996916,0.21811390583236243,0.3782125968062504
EOS-2-37593,Fc1cc(Oc2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)ccc1Cl,DFXSOLVUFJCWOU-UHFFFAOYSA-N,2,1,0.58,57,461,482.302,6.004,5,0.296,0.84,1.0,0.9550836131862107,0.9805702145157974,0.9588530601055445,0.9664005208690288,0.9652268521691454
EOS-2-37594,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccccc1Cl,JKKWNDCECXCOKY-UHFFFAOYSA-N,2,1,0.422,57,616,482.302,6.1,5,0.301,0.71,1.0,0.8242238366116099,0.7957131108217395,0.9226235350558564,0.935782331574258,0.869585703515866
EOS-2-37595,Fc1cncc(COc2cncc3nnc(-c4ccc(Oc5cc(Cl)cc(Cl)c5)cc4)n23)c1,QGNGRSRFBSEINZ-UHFFFAOYSA-N,2,1,0.566,57,881,482.302,6.004,5,0.296,0.77,1.0,0.9771862792132137,0.9467394284147762,0.9597868549105613,0.9674114179973956,0.9627809951339866
EOS-2-37596,COc1nc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1-c1ccc(Cl)cc1,RGZRUPBUPXETPF-UHFFFAOYSA-N,2,1,0.443,57,236,482.302,6.1,5,0.301,0.81,1.0,0.8391045850181619,0.8160938249605921,0.9287317524501405,0.9392690699746419,0.8807998081008841
EOS-2-37597,Fc1c(Cl)ccnc1COc1cncc2nnc(-c3ccc(Oc4ccc(Cl)cc4)cc3)n12,GOWSQKAEQSTWIY-UHFFFAOYSA-N,2,1,0.542,57,881,482.302,6.004,5,0.296,0.78,1.0,0.9519738194777603,0.944503461037626,0.9467308614899596,0.9596412171886779,0.950712339798506
EOS-2-37598,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1Cl,MIZASONUFMIBIW-UHFFFAOYSA-N,2,1,0.467,84,141,482.306,4.711,5,0.346,0.61,1.0,0.7919265300527722,0.7356332670824481,0.7009029538756768,0.8071756562264409,0.7589096018093346
EOS-2-37599,N=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2Cl)n[nH]1,BMHKYGKRBICLEL-UHFFFAOYSA-N,2,1,0.506,57,146,482.306,4.686,5,0.378,0.67,1.0,0.9141765471866219,0.8694914673428826,0.9252193132753067,0.9383695428688917,0.9118142176684257
EOS-2-37600,Fc1ccc(CCOc2cncc3nnc(-c4cnc(Cl)c(-c5ccnnc5)c4)n23)cc1Cl,NTAFDGPRCZANHN-UHFFFAOYSA-N,2,1,0.667,84,360,482.306,4.711,5,0.324,0.67,1.0,0.9426273045027757,0.9608234528133781,0.8996556096223699,0.9180059625796724,0.930278082379549
EOS-2-37601,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nncc(F)n5)cc4Cl)n23)ccc1Cl,NOFIWDCABHQFMW-UHFFFAOYSA-N,2,1,0.536,43,630,482.306,4.977,5,0.349,0.7,1.0,0.9377527242820917,0.955254951682544,0.8729953395928998,0.8987303817421698,0.9161833493249263
EOS-2-37602,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cc1Cl,KGFPCQPPPLFVNQ-UHFFFAOYSA-N,2,1,0.538,88,132,482.306,4.711,5,0.346,0.8,1.0,0.9066633541224042,0.9402799671030087,0.7657117401137687,0.8419402371324789,0.8636488246179153
EOS-2-37603,Cc1nc(-c2ccc(Cl)cc2F)cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)n1,SQIYJHSFQISKAY-UHFFFAOYSA-N,2,1,0.447,44,500,482.306,4.977,5,0.327,0.71,1.0,0.7063772188335276,0.757941539305051,0.734605236104448,0.8050938934959907,0.7510044719347543
EOS-2-37604,Cc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(-c2ccc(F)c(Cl)c2)n1,QPDIDGJMSVPFRH-UHFFFAOYSA-N,2,1,0.455,73,756,482.306,4.977,5,0.349,0.68,0.999,0.8412377492975122,0.854550750462614,0.7319666232609142,0.791883695428689,0.8049097046124323
EOS-2-37605,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)ncn3)n12,GVORRGKNBUDTCG-UHFFFAOYSA-N,2,1,0.442,44,130,482.306,4.711,5,0.346,0.65,0.993,0.8216366253169762,0.8275563703652937,0.7540521554382839,0.8437906928928792,0.8117589610033583
EOS-2-37606,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cc(Cl)c5)n34)cn2)nc1,KBUOHINBCWKZAI-UHFFFAOYSA-N,2,1,0.593,84,166,482.306,4.711,5,0.346,0.67,1.0,0.9289287917209239,0.9541412514563772,0.7540607223631005,0.817927146871359,0.8637644781029402
EOS-2-37607,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)cc1Cl,DKDMOKWYEQSFIM-UHFFFAOYSA-N,2,1,0.479,11,490,482.306,4.711,5,0.324,0.57,1.0,0.8917740387910356,0.8857686244945514,0.7189620313892126,0.7942653005277226,0.8226924988006304
EOS-2-37608,Fc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccc(Cl)nc1,ITSSIABTBMZVJT-UHFFFAOYSA-N,2,1,0.432,35,773,482.306,4.711,5,0.324,0.7,1.0,0.9127458707422383,0.8911743540538688,0.8029864299910904,0.8527859639503804,0.8649231546843945
EOS-2-37609,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)ccc1Cl,HEZDOOCKBVGNOX-UHFFFAOYSA-N,2,1,0.522,84,279,482.306,4.711,5,0.346,0.74,1.0,0.8707251045164828,0.9375299842368583,0.772616681516003,0.8437992598176959,0.85616775752176
EOS-2-37610,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c(Cl)n2)nc1,KOKSCIONLPKBRK-UHFFFAOYSA-N,2,1,0.468,58,28,482.306,4.711,5,0.324,0.56,1.0,0.8917826057158522,0.9230690151463231,0.6604927695154548,0.752989856761017,0.8070835617846619
EOS-2-37611,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cnc(Cl)nc1,FSIUQECXRNIIPW-UHFFFAOYSA-N,2,1,0.571,35,716,482.306,4.711,5,0.324,0.69,1.0,0.9656551984099787,0.9700757316153793,0.8571465286820643,0.8821962168460009,0.9187684188883558
EOS-2-37612,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)cnc1Cl,MAAHFQPKCUYRKF-UHFFFAOYSA-N,2,1,0.432,18,157,482.306,4.711,5,0.324,0.64,1.0,0.8161366595846755,0.819837571105476,0.8278390788842437,0.8626807621136316,0.8316235179220066
EOS-2-37613,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccc(Cl)nn1,BEXHBQPYUVDFJM-UHFFFAOYSA-N,2,1,0.571,34,639,482.306,4.711,5,0.346,0.72,0.997,0.9734082653690631,0.9842539921869645,0.6740627784250566,0.7871975875539716,0.854730655883764
EOS-2-37614,Fc1c(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)ccnc1Cl,QKKMDMCWEHRHDZ-UHFFFAOYSA-N,2,1,0.506,2,419,482.306,4.711,5,0.324,0.64,1.0,0.8412463162223288,0.9096532108834213,0.8632376122267151,0.8865053800287849,0.8751606298403125
EOS-2-37615,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnc(Cl)nc1,YVCRKOIVNXSGBN-UHFFFAOYSA-N,2,1,0.602,35,919,482.306,4.711,5,0.256,0.7,1.0,0.9650126790487287,0.9732197930230965,0.8602134877664314,0.8751370707970667,0.9183957576588309
EOS-2-37616,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)c(Cl)n4)n23)c1,DMRLLCGHHNHGIF-UHFFFAOYSA-N,2,1,0.463,19,442,482.306,4.711,5,0.324,0.6,1.0,0.8618326365567816,0.8779041875128504,0.8512182167089302,0.8945497224316359,0.8713761908025495
EOS-2-37617,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cc(Cl)cnn5)n4)n23)ccc1Cl,CQAMEPIEPJIKQR-UHFFFAOYSA-N,2,1,0.484,34,712,482.306,4.977,5,0.349,0.67,0.999,0.7721197998766363,0.8937529984236858,0.8011616750051401,0.8509183743403468,0.8294882119114523
EOS-2-37618,Fc1ccc(-c2nnc3cncc(OCCc4ncccc4Cl)n23)cc1-c1ccnc(Cl)n1,VYAJMTSQSMFTSJ-UHFFFAOYSA-N,2,1,0.505,11,490,482.306,4.711,5,0.324,0.68,1.0,0.9542183537797272,0.9541498183811938,0.7494003152628332,0.8179357137961757,0.8689260503049825
EOS-2-37619,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)cc1Cl,IOAVBLMJKWLFGG-UHFFFAOYSA-N,2,1,0.443,44,130,482.306,4.711,5,0.346,0.7,0.901,0.8242324035364266,0.7957216777465561,0.802994996915907,0.8675296415598657,0.8226196799396888
EOS-2-37620,Fc1nccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2Cl)n1,JTUFLBUDAUKVEZ-UHFFFAOYSA-N,2,1,0.568,35,919,482.306,4.711,5,0.256,0.67,1.0,0.9573538482626276,0.9624597354533616,0.8298351723665273,0.854319443492564,0.9009920498937701
EOS-2-37621,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)cc1Cl,FQZGCNMWPCXOCL-UHFFFAOYSA-N,2,1,0.701,84,166,482.306,4.711,5,0.346,0.69,1.0,0.9644472620108286,0.9314903022411075,0.7880542800356384,0.8380165855664451,0.880502107463505
EOS-2-37622,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)c2)ccc1Cl,OPHZHPGUYOPMOB-UHFFFAOYSA-N,2,1,0.446,18,503,482.306,4.711,5,0.346,0.7,0.999,0.7517733534370502,0.7836337468302378,0.7771742855184703,0.847354533616613,0.7899839798505928
EOS-2-37623,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc(Cl)n2)nc1,ZOGROTYTUYCVDW-UHFFFAOYSA-N,2,1,0.528,58,141,482.306,4.711,5,0.324,0.59,0.994,0.8748115276540334,0.8937615653485025,0.731975190185731,0.8029264615173737,0.8258686861764102
EOS-2-37624,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)ccc1-c1ccncn1,HFGNPQMZODYLIP-UHFFFAOYSA-N,2,1,0.511,37,490,482.306,4.711,5,0.324,0.62,1.0,0.9682595435542458,0.9570968405181276,0.820377287368926,0.8559385922829141,0.9004180659310534
EOS-2-37625,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)nc1Cl,IMIFXFTWLUJESL-UHFFFAOYSA-N,2,1,0.429,11,157,482.306,4.711,5,0.324,0.7,1.0,0.7721283668014529,0.8082122541292578,0.777182852443287,0.8299893770132273,0.7968782125968062
EOS-2-37626,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccnc(-c4ncc(Cl)cn4)c3)n12,QOARNGHSHLMXKE-UHFFFAOYSA-N,2,1,0.617,73,166,482.306,4.711,5,0.346,0.67,1.0,0.9488383249948599,0.917474813241039,0.7422212322664656,0.8179442807209923,0.8566196628058392
EOS-2-37627,Fc1ncncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)ccn1,LUXKTZVPYFPANZ-UHFFFAOYSA-N,2,1,0.562,84,672,482.306,4.711,5,0.324,0.65,1.0,0.9141851141114385,0.9005294359536701,0.857155095606881,0.8877218833527517,0.8898978822561854
EOS-2-37628,Fc1nc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)c4)n23)ccc1-c1ccncn1,GVDDGANGTDORDB-UHFFFAOYSA-N,2,1,0.489,44,752,482.306,4.711,5,0.324,0.67,1.0,0.8768418888355836,0.87512850387225,0.8068415461585909,0.8527945308751971,0.8529016174354054
EOS-2-37629,Fc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ccc(Cl)cn1,GCDMBIIKXYDTJL-UHFFFAOYSA-N,2,1,0.443,44,814,482.306,4.711,5,0.324,0.65,1.0,0.8436793228702625,0.8545593173874306,0.7083133438420944,0.7965012679048729,0.8007633130011651
EOS-2-37630,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cnc(Cl)nc4)nc3)n12,SQFCXVAOCVONBI-UHFFFAOYSA-N,2,1,0.538,84,672,482.306,4.711,5,0.324,0.69,1.0,0.9324155301213076,0.9693903776300459,0.8428568980878623,0.8675382084846823,0.9030502535809746
EOS-2-37631,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(Cl)c5)nn4)n23)c1,VBCVUUBLVIYORJ-UHFFFAOYSA-N,2,1,0.462,54,691,482.306,4.711,5,0.346,0.74,0.662,0.8662360359125488,0.872241450209033,0.767999109039819,0.8543280104173806,0.8402011513946953
EOS-2-37632,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nn4)n23)nc1Cl,BOIWOZZSDLKMDU-UHFFFAOYSA-N,2,1,0.466,19,691,482.306,4.711,5,0.324,0.8,0.922,0.8788294153930505,0.9005380028784867,0.7189705983140292,0.8199832088273593,0.8295803063532314
EOS-2-37633,Cc1nc(-c2ccc(Cl)c(F)c2)cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)n1,XQSJCZSYTXTQNY-UHFFFAOYSA-N,2,1,0.462,44,500,482.306,4.977,5,0.349,0.73,1.0,0.6910681241861422,0.762019395517785,0.7862809265985882,0.8359005551367281,0.7688172503598109
EOS-2-37634,Fc1c(-c2cccnn2)ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1Cl,HPIDMQAZNOOKQV-UHFFFAOYSA-N,2,1,0.534,72,386,482.306,4.711,5,0.324,0.6,1.0,0.9155900897813721,0.9402885340278254,0.844493180727846,0.8764735110684668,0.8942113289013777
EOS-2-37635,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2Cl)cn1,ZODCEAGYXVVKER-UHFFFAOYSA-N,2,1,0.448,11,814,482.306,4.711,5,0.324,0.63,1.0,0.8549790967034473,0.8695000342676993,0.7584212870947844,0.8219707353848262,0.8262177883626893
EOS-2-37636,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccnc(Cl)n4)ccc3Cl)n12,XVMIXRNSFJZDCF-UHFFFAOYSA-N,2,1,0.528,35,161,482.306,4.711,5,0.324,0.68,1.0,0.8845435542457679,0.902902474127887,0.829843739291344,0.8626893290384483,0.8699947741758618
EOS-2-37637,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)cnc1Cl,BVYHQARGIYBHRV-UHFFFAOYSA-N,2,1,0.517,84,76,482.306,4.711,5,0.324,0.72,1.0,0.912754437667055,0.9599581934068947,0.8331848399698444,0.8578233157425811,0.8909301966965938
EOS-2-37638,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(Cl)n2)c1,VTQNCEIDCKLYSD-UHFFFAOYSA-N,2,1,0.512,35,429,482.306,4.711,5,0.324,0.57,1.0,0.9302052635186073,0.9390377630045919,0.7796672606401206,0.8456068809540127,0.8736292920293331
EOS-2-37639,Cc1cccc(Cl)c1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1,WYVCXMLSOFATAE-UHFFFAOYSA-N,2,1,0.558,34,607,482.306,4.977,5,0.349,0.61,1.0,0.922246590363923,0.9624683023781784,0.7840278253718045,0.8626978959632651,0.8828601535192928
EOS-2-37640,Fc1cnccc1-c1cc(-c2nnc3cncc(OCCc4ncccc4Cl)n23)c(Cl)cn1,COJCOWUCZATTPJ-UHFFFAOYSA-N,2,1,0.473,73,699,482.306,4.711,5,0.346,0.61,1.0,0.8086834349941745,0.812101637996025,0.7494088821876499,0.8339044616544445,0.8010246042080734
EOS-2-37641,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nn4)n23)cnc1Cl,YLBKGKGDCRUBGT-UHFFFAOYSA-N,2,1,0.512,19,691,482.306,4.711,5,0.324,0.72,0.878,0.9222551572887396,0.9174833801658556,0.7771914193681037,0.8543365773421973,0.867816633541224
EOS-2-37642,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(Cl)c5)nn4)n23)c1,SANGTXQQCVVYNE-UHFFFAOYSA-N,2,1,0.517,54,691,482.306,4.711,5,0.346,0.77,0.998,0.9066719210472209,0.8857771914193681,0.8068501130834076,0.8751456377218834,0.86861121581797
EOS-2-37643,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cnc(Cl)nc1,TZXACMCLJOYZPQ-UHFFFAOYSA-N,2,1,0.523,37,639,482.306,4.711,5,0.256,0.61,1.0,0.9542269207045438,0.9615345075731615,0.8030035638407237,0.8400212459735453,0.8896965595229935
EOS-2-37644,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)cnc1Cl,KNFUFOPHVNEDCL-UHFFFAOYSA-N,2,1,0.511,2,419,482.306,4.711,5,0.324,0.63,1.0,0.8640257693098485,0.9115979028168049,0.8617469673086149,0.8850661366595847,0.8806091940237132
EOS-2-37645,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)nc1Cl,JEONQYPYZWVGOO-UHFFFAOYSA-N,2,1,0.5,35,111,482.306,4.711,5,0.256,0.71,1.0,0.9614317044753615,0.9541583853060106,0.7135905695291618,0.7965098348296895,0.8564226235350558
EOS-2-37646,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5Cl)n34)ncn2)cc1,PKKGAABJOISFTR-UHFFFAOYSA-N,2,1,0.484,44,130,482.306,4.711,5,0.324,0.65,0.999,0.8728925364950997,0.8638372969638819,0.8132581728462751,0.8723099856075663,0.8555744979782057
EOS-2-37647,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cnnc(Cl)c1,QCZWSNYFSMHFOW-UHFFFAOYSA-N,2,1,0.505,37,639,482.306,4.711,5,0.324,0.64,1.0,0.9035192927146871,0.9509886231238435,0.8090946473853745,0.8627064628880817,0.8815772565279968
EOS-2-37648,Cc1nc(-c2ccc(Cl)cc2F)cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)n1,KGDWFPXIGUWMHW-UHFFFAOYSA-N,2,1,0.446,44,531,482.306,4.977,5,0.327,0.71,1.0,0.8111250085669248,0.8275649372901104,0.8068586800082242,0.8509269412651634,0.8241188917826058
EOS-2-37649,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)cnc1Cl,JYZVZWRNUMHONS-UHFFFAOYSA-N,2,1,0.5,58,28,482.306,4.711,5,0.324,0.58,1.0,0.919745048317456,0.9331180179562745,0.7189791652388459,0.7805410869714208,0.8380958296209993
EOS-2-37650,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ncccc4-c4cnc(Cl)nc4)n23)c1,KQORHUXGNIUZEX-UHFFFAOYSA-N,2,1,0.473,84,672,482.306,4.711,5,0.324,0.65,0.996,0.7947793160167227,0.834744020286478,0.7902217120142554,0.8456154478788294,0.8163401240490713
EOS-2-37651,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cnc(Cl)nc1,OHEQWUBHRJEQLG-UHFFFAOYSA-N,2,1,0.56,35,494,482.306,4.711,5,0.324,0.69,1.0,0.9768093345212803,0.9732283599479131,0.8617555342334315,0.8865139469536015,0.9245767939140566
EOS-2-37652,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2)ccc1Cl,KSPLQMSSVJZWNG-UHFFFAOYSA-N,2,1,0.523,19,691,482.306,4.711,5,0.324,0.72,1.0,0.9289373586457406,0.9075114796792544,0.8184582962099924,0.8764820779932835,0.8828473031320677
EOS-2-37653,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)ccc1-c1cocn1,WJZOHBXOWBKURR-UHFFFAOYSA-N,2,1,0.551,91,313,482.327,5.383,5,0.308,0.67,1.0,0.9414707696525255,0.8664502090329655,0.8702453567267494,0.8543451442670139,0.8831278699198135
EOS-2-37654,COc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)c(Cl)c5)n(C)n4)n23)c1,ACERSSMOZALIPO-UHFFFAOYSA-N,2,1,0.473,95,965,482.331,4.481,5,0.352,0.76,0.998,0.35915118908916455,0.5028613528887671,0.6847028990473579,0.6735144952367899,0.5550574840655198
EOS-2-37655,COc1cc(-c2nnc3cncc(OCc4cc(Cl)c(Cl)cn4)n23)ccc1-c1cn(C)cn1,JUWNJBOKRYKGCX-UHFFFAOYSA-N,2,1,0.484,16,248,482.331,4.481,5,0.352,0.71,1.0,0.6251113700226166,0.5920858748543623,0.7584298540196012,0.6994894112809266,0.6687791275443766
EOS-2-37656,COc1cc(-c2nnc3cncc(OCc4cc(Cl)c(Cl)cn4)n23)ccc1-c1ccn(C)n1,XKKARWDXRCBIHY-UHFFFAOYSA-N,2,1,0.484,4,224,482.331,4.481,5,0.352,0.69,1.0,0.5266345692550202,0.5346446439586047,0.7446713727640326,0.6855424576793914,0.6228732609142622
EOS-2-37657,COc1cc(-c2nnc3cncc(-c4cc(Cl)c(-c5nncn5C)cc4OC)n23)ccc1Cl,DNPLVTWESURCFG-UHFFFAOYSA-N,2,1,0.341,61,252,482.331,4.578,5,0.362,0.73,1.0,0.3334332807895278,0.4317558769104242,0.7393941470769653,0.7023250633952437,0.5517270920430403
EOS-2-37658,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ncc(Cl)cc4Cl)n23)cc1OC,OKRIJGITUZKQFT-UHFFFAOYSA-N,2,1,0.384,26,412,482.331,5.177,5,0.329,0.72,1.0,0.5913491193201289,0.5531320677129737,0.6712014255362895,0.6128521006099651,0.6071336782948393
EOS-2-37659,CCc1nnc(C)n1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nn1,SXSKKZNJSUGCOB-UHFFFAOYSA-N,2,1,0.505,36,404,482.335,3.919,5,0.358,0.63,1.0,0.46381330957439515,0.6831951202796245,0.13055136728120073,0.2564423274621342,0.3835005311493386
EOS-2-37660,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2C)cnc1Cl,QVWCNCDITOIFBA-UHFFFAOYSA-N,2,1,0.404,31,569,482.335,3.614,5,0.361,0.49,0.985,0.4062007401823042,0.384851963539168,0.20786786375162772,0.2889880748406552,0.3219771605784388
EOS-2-37661,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5c(Cl)cncc5Cl)n34)ncn2)cn1,NBFFPVHTWIPTRM-UHFFFAOYSA-N,2,1,0.423,31,194,482.335,3.788,5,0.345,0.59,1.0,0.39114865327941883,0.27140874511685287,0.3308717702693441,0.40269686793228704,0.3490315091494757
EOS-2-37662,CCn1cnnc1-c1cnc(Cl)c(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,DTPYWLFXFLOBKP-UHFFFAOYSA-N,2,1,0.426,58,908,482.335,3.788,5,0.323,0.54,1.0,0.4957936399150161,0.5488143376053731,0.19028853402782536,0.2918579946542389,0.3816886265506133
EOS-2-37663,CCn1cnnc1-c1cc(Cl)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,DTUSAKWRPDRDMX-UHFFFAOYSA-N,2,1,0.473,36,482,482.335,3.788,5,0.345,0.66,1.0,0.49847508738263313,0.5392022479610719,0.21449009663491192,0.3292611884038106,0.39535715509560687
EOS-2-37664,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)ncn1,JJBZAOGHHZQXEN-UHFFFAOYSA-N,2,1,0.404,31,194,482.335,3.788,5,0.345,0.58,0.994,0.4787797272291138,0.3366201768213282,0.33088033719416077,0.40570385854293745,0.3879960249468851
EOS-2-37665,CCn1nc(C)nc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nn1,OCMRGOFHCWIIHR-UHFFFAOYSA-N,2,1,0.479,36,404,482.335,4.054,5,0.357,0.65,1.0,0.3660561304913988,0.5770252210266603,0.1054931121924474,0.22987629360564732,0.31961268932903847
EOS-2-37666,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)n(C)c1Cl,VLALRBSTYJWGPZ-UHFFFAOYSA-N,2,1,0.468,31,602,482.335,3.614,5,0.361,0.63,1.0,0.5293074497978206,0.5716965937906929,0.12760434514426702,0.2003718045370434,0.35724504831745596
EOS-2-37667,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)cn1,YQEIEZIWMKRDML-UHFFFAOYSA-N,2,1,0.5,65,908,482.335,3.788,5,0.345,0.64,1.0,0.5573212939483243,0.5625813857857583,0.24671886779521623,0.3617898019326982,0.4321028373654992
EOS-2-37668,Cn1c(Cl)ccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,YLIZRPJXMHMWLD-UHFFFAOYSA-N,2,1,0.747,91,781,482.346,5.864,5,0.304,0.72,1.0,0.9764066890548968,0.9784113494619971,0.9638475772736619,0.9688420944417792,0.9718769275580839
EOS-2-37669,Clc1ccc(COc2cncc3nnc(-c4ccc(Br)cn4)n23)cn1,PIENKEMAHXIULM-UHFFFAOYSA-N,2,1,0.475,46,244,417.654,3.576,4,0.472,0.84,1.0,0.657314440408471,0.6108902748269481,0.6193886642450825,0.6707131108217395,0.6395766225755604
EOS-2-37670,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)c(C#N)s4)n23)cc1Cl,LPPSZADXMXOXFI-UHFFFAOYSA-N,2,1,0.5,4,911,482.356,5.011,5,0.35,0.7,1.0,0.6543674182715372,0.697955931738743,0.8258172846275101,0.840029812898362,0.754542611884038
EOS-2-37671,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Br)s5)n34)cn2)c1,QLMVTEVKZMSNDO-UHFFFAOYSA-N,2,1,0.489,58,510,482.367,4.032,5,0.364,0.75,1.0,0.7030532520046604,0.7170002056061956,0.26834178603248576,0.24443149886916593,0.48320668562812696
EOS-2-37672,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ncc2F)c1,YTYJCUJCHSTFNY-UHFFFAOYSA-N,2,1,0.619,1,679,482.397,4.707,5,0.311,0.73,1.0,0.9771948461380303,0.9838684805702145,0.9277122883969571,0.9169093962031389,0.9514212528270851
EOS-2-37673,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)nn2)cc1,WROSMECXPDJVEH-UHFFFAOYSA-N,2,1,0.565,1,640,482.397,4.865,5,0.319,0.82,1.0,0.9335206634226578,0.9641045850181619,0.9768436022205469,0.957165375916661,0.9579085566445069
EOS-2-37674,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC(F)F)cn5)n34)cc2)nc1F,IMINQIPWOKPSJO-UHFFFAOYSA-N,2,1,0.598,1,679,482.397,4.707,5,0.245,0.73,1.0,0.9479216640394764,0.9773918854088136,0.9613546021520115,0.9366732917551915,0.9558353608388732
EOS-2-37675,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5cccc(OC(F)(F)F)c5)n34)nc2)c1,CTGADLDBMAMRQP-UHFFFAOYSA-N,2,1,0.558,27,676,482.397,4.865,5,0.319,0.81,1.0,0.8862398053594681,0.9298968542252073,0.9829432526900144,0.9618857514906449,0.9402414159413337
EOS-2-37676,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ncc2F)nc1,AFWSDEZZFHDHLH-UHFFFAOYSA-N,2,1,0.643,1,996,482.397,4.707,5,0.311,0.71,1.0,0.9638904118977452,0.979627852785964,0.9613631690768282,0.944966074977726,0.9624618771845659
EOS-2-37677,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)c2)nn1,FTSWOYKGPDPGTR-UHFFFAOYSA-N,2,1,0.61,1,431,482.397,4.865,5,0.319,0.73,1.0,0.9714892742101295,0.962476869302995,0.982437804125831,0.9602666027002947,0.9691676375848126
EOS-2-37678,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cn2)c1,LVFVJFQOZVVDRY-UHFFFAOYSA-N,2,1,0.563,97,676,482.397,4.865,5,0.319,0.79,1.0,0.9852905900897814,0.9658779384552121,0.9844081968336645,0.9626653416489617,0.9745605167569049
EOS-2-37679,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)cc2)nn1,UFVKCMCEAAFYHG-UHFFFAOYSA-N,2,1,0.547,1,431,482.397,4.865,5,0.319,0.7,1.0,0.972560139812213,0.94994345829621,0.9788568295524639,0.9520252210266603,0.9633464121718869
EOS-2-37680,COc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cnc(F)c(F)c1,WMQJXZNSGJVDBK-UHFFFAOYSA-N,2,1,0.412,59,910,482.397,4.392,5,0.262,0.7,0.894,0.8683863340415324,0.7749040504420533,0.9342402851072579,0.8987389486669864,0.8690674045644575
EOS-2-37681,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(OC(F)(F)F)c5)n34)nc2)cn1,VJBVXJHBYBHEDY-UHFFFAOYSA-N,2,1,0.483,1,713,482.397,4.865,5,0.252,0.75,1.0,0.9366989925296415,0.92495373860599,0.9838856144198479,0.9618943184154616,0.9518581659927352
EOS-2-37682,Fc1cccnc1COc1cncc2nnc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n12,JKNRVZJGSFERHO-UHFFFAOYSA-N,2,1,0.538,1,676,482.397,5.111,5,0.311,0.8,1.0,0.9426358714275923,0.9375385511616751,0.9812127338770475,0.95004626139401,0.9528583544650813
EOS-2-37683,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(OC(F)F)c5)nc4)n23)cc1F,ATDMIVAFLKLRIB-UHFFFAOYSA-N,2,1,0.56,59,89,482.397,4.707,5,0.311,0.75,1.0,0.9861558494962648,0.9801247344253307,0.9746847371667466,0.9596497841134947,0.9751537763004592
EOS-2-37684,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(OC(F)F)cn5)n34)c2)cc1F,IABVIOHMTDMVAU-UHFFFAOYSA-N,2,1,0.511,59,153,482.397,4.707,5,0.311,0.81,1.0,0.7806610239188541,0.9135939962990884,0.9665547255157289,0.952033787951477,0.9032108834212871
EOS-2-37685,Fc1cc(OC(F)(F)F)cc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cn4)n23)c1,KZZIOLBBRWFJDM-UHFFFAOYSA-N,2,1,0.638,27,676,482.397,4.865,5,0.319,0.69,1.0,0.8594852991570145,0.9284918785552738,0.982951819614831,0.9613631690768282,0.9330730416009868
EOS-2-37686,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5cncc(OC(F)(F)F)c5)n34)cn2)c1,PSUIFZUHTFDYLS-UHFFFAOYSA-N,2,1,0.458,97,679,482.397,4.865,5,0.319,0.77,1.0,0.9435268316085258,0.9477931601672264,0.9824463710506477,0.9632050579124117,0.9592428551847029
EOS-2-37687,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccc5OC(F)(F)F)n4)n23)cc1,QLZCHPKWISVRGZ-UHFFFAOYSA-N,2,1,0.506,1,679,482.397,4.865,5,0.319,0.78,1.0,0.9573624151874444,0.9665290247412789,0.9718319512027962,0.9479644986635597,0.9609219724487698
EOS-2-37688,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ncc2F)cc1,BHNANRTZKDJUFP-UHFFFAOYSA-N,2,1,0.662,1,679,482.397,4.707,5,0.311,0.77,1.0,0.9764152559797136,0.9842625591117813,0.9326211363169077,0.9212442601603729,0.9536358028921939
EOS-2-37689,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(OC(F)(F)F)c5)n34)nn2)cc1,KQRWQHSPDIGUSZ-UHFFFAOYSA-N,2,1,0.511,19,691,482.397,4.865,5,0.319,0.82,1.0,0.9386693852374751,0.9346429305736413,0.9771091768898637,0.9602751696251114,0.952674165581523
EOS-2-37690,COc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(OC(F)(F)F)c(F)c5)n34)c2)nn1,OXRLLXINEPLPKL-UHFFFAOYSA-N,2,1,0.375,96,574,482.397,4.962,5,0.327,0.77,1.0,0.8436878897950791,0.9230775820711398,0.9792252073195805,0.9493437735590432,0.9238336131862107
EOS-2-37691,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(C(F)(F)F)cc5F)nc4)n23)nn1,SNWYEYANQOHZFJ-UHFFFAOYSA-N,2,1,0.495,27,52,482.401,4.084,5,0.345,0.69,1.0,0.7517819203618669,0.8515009252278802,0.9063292440545542,0.789639161126722,0.8248128126927559
EOS-2-37692,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(C(F)(F)F)nc5)nc4)n23)c1,GMFQFEAHXLTJMW-UHFFFAOYSA-N,2,1,0.543,65,282,482.401,3.818,5,0.337,0.66,1.0,0.9386779521622918,0.9499520252210266,0.8617641011582482,0.7292252073195805,0.8699048214652868
EOS-2-37693,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cn2)c(C(F)(F)F)cn1,CVMFKZCAMNSOOP-UHFFFAOYSA-N,2,1,0.465,27,795,482.401,3.818,5,0.266,0.65,1.0,0.7427866493043657,0.8722500171338496,0.8951065725447194,0.8029350284421904,0.8282695668562813
EOS-2-37694,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(C(F)(F)F)nc5)nn4)n23)c1,KPIWKOANLFKCSR-UHFFFAOYSA-N,2,1,0.543,54,411,482.401,3.818,5,0.337,0.68,0.984,0.8788379823178671,0.8485367692413132,0.8985847440202864,0.8116218902062915,0.8593953464464396
EOS-2-37695,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C(F)(F)F)nc5)n34)nn2)cn1,JESACEGWTBOLCU-UHFFFAOYSA-N,2,1,0.511,54,411,482.401,3.818,5,0.266,0.68,0.989,0.8594938660818313,0.8347525872112946,0.8996641765471867,0.8029435953670071,0.8492135563018299
EOS-2-37696,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccc(C(F)(F)F)nc4)nn3)n12,NNPIGJUZJXLISP-UHFFFAOYSA-N,2,1,0.527,54,411,482.401,3.818,5,0.337,0.67,0.999,0.859502433006648,0.8449729285175793,0.9063378109793708,0.8239325611678432,0.8586864334178603
EOS-2-37697,COc1cc(-c2nnc3cncc(OCc4nnn(COC(F)F)n4)n23)ccc1-c1cncnc1,CZMGGSWSMVNRRI-UHFFFAOYSA-N,2,1,0.413,36,404,482.411,2.019,5,0.305,0.67,0.96,0.3956034541840861,0.4317644438352409,0.25038551161675004,0.20928997327119458,0.3217608457268179
EOS-2-37698,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)cc2)cc1F,QXVBTHRUSCZUHK-UHFFFAOYSA-N,2,1,0.649,57,853,482.412,6.334,5,0.275,0.79,1.0,0.9898310602426154,0.989788225618532,0.9991775752175999,0.9991261736686999,0.9944807586868617
EOS-2-37699,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)c(F)c5)c4)n23)cc1F,PUTNLMBIBVMLAC-UHFFFAOYSA-N,2,1,0.778,88,485,482.412,5.775,5,0.288,0.74,1.0,0.996933040915633,0.9966246316222329,0.9941316565005826,0.9966760331711328,0.9960913405523953
EOS-2-37700,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5C(F)(F)F)n34)c2)cc1F,ZSEPSWXHVLCXLI-UHFFFAOYSA-N,2,1,0.561,57,853,482.412,6.334,5,0.275,0.81,1.0,0.957370982112261,0.9743934617229799,0.9987406620519498,0.9986207251045165,0.9822814577479269
EOS-2-37701,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5C(F)(F)F)cc4)n23)c(F)c1,FNHLLUNFZNJDRM-UHFFFAOYSA-N,2,1,0.585,57,23,482.412,6.334,5,0.275,0.78,1.0,0.9781714755671305,0.9801333013501473,0.9985350558563498,0.9983722842848332,0.9888030292646152
EOS-2-37702,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5C(F)(F)F)n34)cc2)cc1F,HYFIGXLDIVUSLZ-UHFFFAOYSA-N,2,1,0.603,57,853,482.412,6.334,5,0.275,0.81,1.0,0.9868583373312316,0.9883661160989651,0.9988091974504831,0.9986892605030498,0.9931807278459325
EOS-2-37703,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)c(F)c4)n23)cc1-c1ccccc1,UIONTIJPMOPLIY-UHFFFAOYSA-N,2,1,0.568,57,640,482.412,6.334,5,0.275,0.78,1.0,0.9818381193886643,0.9805787814406141,0.9986464258789665,0.9983808512096498,0.9898610444794737
EOS-2-37704,Fc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nn2)c(F)c1,OPLUWVXKZWBCDY-UHFFFAOYSA-N,2,1,0.351,6,277,482.414,3.566,6,0.359,0.67,1.0,0.6969964361592763,0.6686313480912891,0.45274484271126036,0.44737338085120965,0.5664365019532588
EOS-2-37705,N#Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5noc(CF)n5)cc4F)n23)cn1,ORDMWCHFDLRMHS-UHFFFAOYSA-N,2,1,0.319,42,151,482.414,3.569,6,0.361,0.64,1.0,0.12237852100609965,0.3467034473305462,0.3871907340141183,0.4314903022411075,0.32194075114796794
EOS-2-37706,COc1nc(-c2nnc3cncc(OCCc4ccccc4C(F)(F)F)n23)ccc1-c1ncco1,NQYPXIUKJZDQFE-UHFFFAOYSA-N,2,1,0.484,49,703,482.422,4.49,5,0.335,0.7,1.0,0.7835309437324378,0.5581094510314577,0.8756682201357001,0.7107634843396614,0.7320180248098143
EOS-2-37707,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)nc2OC(F)F)cn1,MTMSYUDCYZXMRJ-UHFFFAOYSA-N,2,1,0.474,49,367,482.426,3.344,5,0.332,0.65,0.582,0.6057329860873141,0.5488229045301899,0.6656843259543554,0.5630439997258584,0.5958210540744294
EOS-2-37708,COCCOc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)n1,YXECCVDGFFGKKU-UHFFFAOYSA-N,2,1,0.406,27,243,482.426,3.478,5,0.325,0.79,0.996,0.2218148173531629,0.29738366116098963,0.8068672469330409,0.5944846138030293,0.4801375848125557
EOS-2-37709,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccc(F)n6)cn5)n34)cc2F)c1,GMSKGLQHRZOVQI-UHFFFAOYSA-N,2,1,0.358,32,72,482.429,4.79,6,0.334,0.57,1.0,0.4268041943663902,0.5873569323555616,0.8675039407854157,0.8865225138784182,0.6920468953464465
EOS-2-37710,Fc1cc(-c2cnc(F)c(F)c2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cc3)n12,PEAJGZSGPXSJHE-UHFFFAOYSA-N,2,1,0.333,9,38,482.429,4.79,6,0.334,0.73,1.0,0.3867709546981016,0.5392108148858885,0.9269583990130903,0.9295541772325406,0.6956235864574052
EOS-2-37711,Oc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnco5)n4)n23)ccc1-c1ccccn1,GOZBXIYEAQJURL-UHFFFAOYSA-N,2,1,0.5,81,218,482.435,3.722,6,0.374,0.55,0.995,0.6365653485025016,0.6013038859570968,0.41582996367623876,0.3839353025837845,0.5094086251799054
EOS-2-37712,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cn5)n34)cc2F)n[nH]1,CZHHVYVPFKPWKJ-UHFFFAOYSA-N,2,1,0.475,40,932,482.439,2.235,6,0.378,0.63,0.998,0.3334418477143445,0.322570420121993,0.42706120211089027,0.39072030703858546,0.3684484442464533
EOS-2-37713,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5F)n34)cnn2)cn1,RJJZVHUZTCZBGS-UHFFFAOYSA-N,2,1,0.429,71,49,482.439,3.115,6,0.345,0.55,1.0,0.7216520457816462,0.6391097251730519,0.32710232335001027,0.28006133918168735,0.4919813583715989
EOS-2-37714,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nccnn6)ccc5F)n34)nc2)no1,KHPCEUZUATUURG-UHFFFAOYSA-N,2,1,0.412,6,843,482.439,3.115,6,0.345,0.62,1.0,0.6251199369474334,0.5717051607155096,0.2503940785415667,0.22988486053046397,0.4192760091837434
EOS-2-37715,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6cnccn6)n5)n34)cn2)no1,GEVFSXOAICDFAB-UHFFFAOYSA-N,2,1,0.447,80,277,482.439,3.115,6,0.345,0.61,1.0,0.5240559248852033,0.5392193818107053,0.1547529298882873,0.13933246521828524,0.3393401754506203
EOS-2-37716,FCc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnccn6)nc5)n34)cc2)o1,HQFRIWKFIYKOHB-UHFFFAOYSA-N,2,1,0.467,56,8,482.439,3.137,6,0.331,0.6,1.0,0.5367521074635049,0.4492152696867932,0.1398721814817353,0.1172554999657323,0.31077376464944145
EOS-2-37717,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnn6)ncc5F)n34)cc2)no1,QQNCYDGEJZWNBM-UHFFFAOYSA-N,2,1,0.452,56,8,482.439,3.115,6,0.345,0.7,1.0,0.6365739154273182,0.562589952710575,0.12761291206908368,0.11951716811733261,0.36157348708107734
EOS-2-37718,Cn1cc(-c2ccc(CCOc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2F)cn1,JXSQKHWOZRRIEU-UHFFFAOYSA-N,2,1,0.671,91,322,482.441,4.971,5,0.32,0.74,1.0,0.8707336714412994,0.9157100267288054,0.9894969501747652,0.9716349119320129,0.9368938900692207
EOS-2-37719,Cc1c(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(-c2ccccc2F)nn1C,IYEVCFZSZQOLSP-UHFFFAOYSA-N,2,1,0.523,43,138,482.441,5.237,5,0.321,0.76,1.0,0.670104859159756,0.8001422109519567,0.9583304776917277,0.9233260228908231,0.8379758926735659
EOS-2-37720,FCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccc5C(F)(F)F)n34)cc2)cn1,LMEYBAWZTWJJMZ-UHFFFAOYSA-N,2,1,0.523,1,138,482.441,5.222,5,0.298,0.83,1.0,0.62512850387225,0.6440614077170859,0.972611541361113,0.9383781097937085,0.7950448906860393
EOS-2-37721,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1F,DEBCBTDPWLXEHH-UHFFFAOYSA-N,2,1,0.548,88,70,482.441,4.663,5,0.301,0.66,1.0,0.8825388938386677,0.8001507778767734,0.9111695565759715,0.9022942224659036,0.8740383626893291
EOS-2-37722,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccccc4C(F)(F)F)n23)ccc1F,LUBOHCFFINAILW-UHFFFAOYSA-N,2,1,0.575,91,70,482.441,4.971,5,0.32,0.75,1.0,0.9018230416009869,0.8545678843122473,0.9856675347817148,0.9632136248372284,0.9263180213830443
EOS-2-37723,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)cc1,ABAGPJZIUJYGMK-UHFFFAOYSA-N,2,1,0.534,1,138,482.441,5.222,5,0.298,0.8,1.0,0.8365944760468782,0.6930385168939758,0.9798334589815639,0.9513484339661435,0.8652037214721404
EOS-2-37724,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cnn(CC(F)(F)F)c4)cc3)n12,ZTGFGETZVGJSPN-UHFFFAOYSA-N,2,1,0.687,91,322,482.441,4.978,5,0.306,0.74,1.0,0.7545490370776506,0.7836423137550544,0.9652182852443287,0.9375299842368583,0.860234905078473
EOS-2-37725,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(CC(F)F)c5)cc4)n23)cc1F,IIAUNWBQUIFFSP-UHFFFAOYSA-N,2,1,0.7,91,781,482.441,4.82,5,0.297,0.72,1.0,0.8216451922417929,0.8161023918854088,0.9516140086354602,0.934985607566308,0.8810868000822425
EOS-2-37726,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)nn4)n23)c(F)c1,IYIHFDYSJFQLLR-UHFFFAOYSA-N,2,1,0.421,71,614,482.443,1.947,6,0.343,0.63,1.0,0.552301076005757,0.5256151052018367,0.09782571448152971,0.11262936056473169,0.3220928140634638
EOS-2-37727,Cn1nnc(-c2cc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)ccc2F)n1,ZDTYVSQZHDLTLF-UHFFFAOYSA-N,2,1,0.429,80,816,482.443,1.947,6,0.343,0.62,1.0,0.41974504831745596,0.5346532108834213,0.1519344116236036,0.1489274210129532,0.31381502295935854
EOS-2-37728,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5cnnc(-c6ccc(F)nc6)c5)n34)n2)n1,ZLAFROXGBIRSNL-UHFFFAOYSA-N,2,1,0.423,71,826,482.443,1.947,6,0.321,0.47,0.642,0.2952933315057227,0.3416489616887122,0.10276883010074704,0.10778904804331438,0.21187504283462405
EOS-2-37729,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnc(F)nc6)nc5)n34)n2)n1,SDXWKBPXLJWVTJ-UHFFFAOYSA-N,2,1,0.449,6,843,482.443,1.947,6,0.321,0.59,0.948,0.3382735933109451,0.39939003495305325,0.09073230073332876,0.07892707833596052,0.2268307518333219
EOS-2-37730,Cn1c(COc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)nnc1-c1cncnc1,JFUWEJSHBIOITH-UHFFFAOYSA-N,2,1,0.381,80,855,482.443,1.947,6,0.321,0.66,0.999,0.47089815639777943,0.4626396408745117,0.07452367898019327,0.07893564526077719,0.2717492803783154
EOS-2-37731,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncc(F)cn6)n5)n34)cn2)n1,JZUYDYYIZMRFJK-UHFFFAOYSA-N,2,1,0.453,6,843,482.443,1.947,6,0.343,0.64,1.0,0.3911572202042355,0.40418751285038723,0.056207593722157494,0.053714618600507164,0.22631673634432184
EOS-2-37732,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)c(F)c4)n23)nn1,CYLWFQVTGHYKCU-UHFFFAOYSA-N,2,1,0.452,71,614,482.443,1.947,6,0.343,0.64,1.0,0.5085326571174011,0.48420259063806453,0.07021451579740937,0.11726406689054897,0.295053457610856
EOS-2-37733,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cc5)n34)no2)cc1F,MQUWQELIXSDNNT-UHFFFAOYSA-N,2,1,0.473,77,427,482.45,5.366,6,0.315,0.72,1.0,0.6668237269549723,0.46682886710986227,0.8794376670550339,0.872318552532383,0.7213522034130628
EOS-2-37734,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)no2)cc1F,BFRNQGYDVSYKGH-UHFFFAOYSA-N,2,1,0.512,12,492,482.45,5.366,6,0.315,0.78,1.0,0.8292012199300939,0.7170087725310123,0.7990199438009732,0.8239411280926598,0.7922927660886847
EOS-2-37735,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(F)c(-c4ccccc4F)c3)n12,NAMZNZVKOSVGLE-UHFFFAOYSA-N,2,1,0.356,83,923,482.45,5.462,6,0.322,0.76,1.0,0.6365824823521349,0.7170173394558289,0.9111781235007882,0.8904290315948187,0.7888017442258928
EOS-2-37736,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2)cc1F,KYHBLIVQJIQPAY-UHFFFAOYSA-N,2,1,0.608,12,994,482.45,5.366,6,0.315,0.71,1.0,0.9414793365773422,0.8857857583441848,0.926966965937907,0.9114950997190049,0.9164317901446097
EOS-2-37737,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)cc1,IAGGFPNRDKQZEV-UHFFFAOYSA-N,2,1,0.48,21,538,482.45,5.777,6,0.297,0.68,1.0,0.685088410664108,0.7261753820848468,0.9425502021794256,0.9284147762319238,0.820557192790076
EOS-2-37738,Fc1ccc(COc2ccccc2-c2nnc3cncc(-c4cccc(-c5nnco5)c4)n23)cc1F,RTLWARPTAVTRPA-UHFFFAOYSA-N,2,1,0.41,83,923,482.45,5.366,6,0.315,0.72,1.0,0.6668322938797889,0.6490559248852033,0.9052241107532041,0.8877304502775684,0.7772106949489411
EOS-2-37739,Fc1cccc(-c2ncc(F)cc2COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,IPIHYYNWFAKJRS-UHFFFAOYSA-N,2,1,0.523,41,492,482.45,5.366,6,0.315,0.68,1.0,0.958116304571311,0.8198461380302926,0.8794462339798506,0.867546775409499,0.8812388629977383
EOS-2-37740,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(F)ccc5Oc5ccc(F)cc5)n34)cc2)o1,ZDKRBKBMAGQBNM-UHFFFAOYSA-N,2,1,0.391,83,950,482.45,5.887,6,0.303,0.72,1.0,0.6513261599616201,0.707859296826811,0.8571636625316976,0.8492478240010966,0.7663992358303064
EOS-2-37741,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)cc2)cc1F,IUQLGVFOLPDTCR-UHFFFAOYSA-N,2,1,0.571,12,994,482.45,5.366,6,0.315,0.73,1.0,0.942644438352409,0.8751370707970667,0.9205417723254061,0.906903228017271,0.9113066273730382
EOS-2-37742,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5F)n34)cc2)c1,PBPVBNVVOPWCGB-UHFFFAOYSA-N,2,1,0.541,12,994,482.45,5.366,6,0.315,0.72,1.0,0.9386865190871085,0.8515094921526969,0.9158813652251387,0.9103128640943047,0.9040975601398122
EOS-2-37743,FC(F)n1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cn2)cn1,NJHKBSSMNLVFAQ-UHFFFAOYSA-N,2,1,0.44,41,25,482.454,5.299,6,0.318,0.75,1.0,0.48101569460626414,0.577033787951477,0.860222054691248,0.7965184017545062,0.6786974847508738
EOS-2-37744,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)cc1,SIPXQXYZLALJMC-UHFFFAOYSA-N,2,1,0.457,67,722,482.454,4.719,6,0.351,0.77,1.0,0.5392450825851552,0.5873654992803783,0.7771999862929203,0.7755208690288534,0.6698328592968268
EOS-2-37745,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnn(-c6ccccc6)n5)n34)c2)cc1F,PXQPGLUTLCEKTA-UHFFFAOYSA-N,2,1,0.433,28,177,482.454,4.291,6,0.349,0.69,1.0,0.3258943869508601,0.38486053046398466,0.7009115208004935,0.7214378726612295,0.5332760777191419
EOS-2-37746,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnn(-c6ccccc6)c5)n34)ncn2)c(F)c1,OOHMIAQUKKNZKH-UHFFFAOYSA-N,2,1,0.408,44,177,482.454,4.291,6,0.349,0.58,0.785,0.3406637653347954,0.302275375231307,0.7267493660475636,0.7375522582413817,0.5268101912137619
EOS-2-37747,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)ccc2F)cn1,IBJYWIQJQKGQSD-UHFFFAOYSA-N,2,1,0.449,77,763,482.454,4.496,6,0.349,0.62,1.0,0.7427952162291823,0.7125454047015284,0.7726252484408197,0.7452710575011994,0.7433092317181824
EOS-2-37748,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5F)n34)cn2)c1,ZQXULGYQYKTTFJ-UHFFFAOYSA-N,2,1,0.458,57,763,482.454,4.496,6,0.373,0.61,1.0,0.7308100884106641,0.7356418340072648,0.777208553217737,0.7805496538962374,0.7560525323829758
EOS-2-37749,Fc1ccc(-n2cc(COc3cncc4nnc(-c5cc(-c6cncc(F)c6)ccn5)n34)cn2)cc1,HAUYASVJCHPPHC-UHFFFAOYSA-N,2,1,0.402,6,160,482.454,4.291,6,0.349,0.8,1.0,0.3544822150640806,0.26089712836680146,0.7796758275649373,0.7826314166266877,0.5444216469056268
EOS-2-37750,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)c(F)c5)c4)n23)cn1,GXNQVPIPRLFSJT-UHFFFAOYSA-N,2,1,0.319,10,673,482.454,4.388,6,0.36,0.65,0.931,0.16098965115482147,0.36112158179699816,0.7657203070385854,0.7107720512644781,0.49965089781372074
EOS-2-37751,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ncn(-c6ccccc6)n5)n34)ccc2F)c1,IATZUCHZMPHXMW-UHFFFAOYSA-N,2,1,0.427,57,177,482.454,4.291,6,0.349,0.65,1.0,0.41726920704543896,0.4756013981221301,0.6822184908505243,0.7134791995065451,0.5721420738811596
EOS-2-37752,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnn(-c6ccccc6)n5)c4)n23)c(F)c1,XYLKQTRGFZJONM-UHFFFAOYSA-N,2,1,0.516,77,897,482.454,4.291,6,0.349,0.72,1.0,0.5240644918100199,0.6490644918100199,0.6630971146597218,0.6940322801727092,0.6325645946131178
EOS-2-37753,FC(F)Oc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)cc1,KRPJOFRAUGLUNL-UHFFFAOYSA-N,2,1,0.406,30,301,482.454,4.702,6,0.339,0.78,1.0,0.04157528613528887,0.23529915701459803,0.8011702419299568,0.8093944897539579,0.47185979370845044
EOS-2-37754,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnn(-c6ccnc(F)c6)c5)n34)cn2)cc1,GJUVGSAEAMJJIA-UHFFFAOYSA-N,2,1,0.473,28,801,482.454,4.291,6,0.327,0.71,1.0,0.3752056061956,0.45804776917277773,0.7862894935234048,0.7684360222054691,0.5969947227743129
EOS-2-37755,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cc4)n23)c(F)c1,QMAQGPIUKLWNLE-UHFFFAOYSA-N,2,1,0.467,67,722,482.454,4.719,6,0.351,0.78,1.0,0.6057415530121307,0.6060585292303474,0.770140840243986,0.7607343567952848,0.6856688198204373
EOS-2-37756,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnnn5-c5ccc(F)cc5)c4)n23)cc1,MHEIUAHQOCXZFY-UHFFFAOYSA-N,2,1,0.625,77,461,482.454,4.291,6,0.349,0.71,1.0,0.6573230073332876,0.6345606880954012,0.7446799396888493,0.7918922623535056,0.707113974367761
EOS-2-37757,FC(F)Oc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)c1,XJLXBBRBNVHWCW-UHFFFAOYSA-N,2,1,0.436,30,298,482.454,4.702,6,0.339,0.74,0.968,0.0802121170584607,0.31773867452539234,0.7965783702282229,0.7986858337331232,0.4983037488862998
EOS-2-37758,FC(F)Oc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,ZSZFQYDKPXVMMD-UHFFFAOYSA-N,2,1,0.4,93,689,482.454,4.702,6,0.339,0.75,1.0,0.19426358714275924,0.389777945308752,0.6794428072099239,0.7375608251661984,0.5002612912069083
EOS-2-37759,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccc(F)cc6)nn5)n34)cn2)cc1,BUCGIXFHLBHMFU-UHFFFAOYSA-N,2,1,0.581,57,801,482.454,4.291,6,0.349,0.73,1.0,0.21922760605852923,0.4041960797752039,0.7135991364539784,0.7554571311082174,0.5231199883489822
EOS-2-37760,Cn1nnnc1-c1ccc(F)c(Oc2cncc3nnc(-c4cccc(-c5cccc(F)c5)c4)n23)c1,JXXXPQFEIGJPDO-UHFFFAOYSA-N,2,1,0.494,83,228,482.454,4.719,6,0.351,0.74,1.0,0.5367606743883215,0.6542646151737372,0.7446885066136659,0.7919008292783223,0.6819036563635117
EOS-2-37761,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cncc(-c5cn(C)nn5)c4)n23)nc1F,ZGTZNOLROCWPIP-UHFFFAOYSA-N,2,1,0.31,39,693,482.458,3.692,6,0.374,0.62,0.999,0.06997464190254267,0.20517784935919403,0.3308889041189775,0.39657151668836954,0.25065322801727097
EOS-2-37762,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(Cc6ccc(F)c(F)c6)n5)n34)cc2)cn1,UBPHUOSIDCOLHF-UHFFFAOYSA-N,2,1,0.356,3,973,482.458,3.537,6,0.367,0.72,1.0,0.2413731067096155,0.35151805907751354,0.39073744088821877,0.459872524158728,0.360875282708519
EOS-2-37763,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ncnn6C)cc5F)n34)c(F)c2)n1,PUHNMFYKBUKCCI-UHFFFAOYSA-N,2,1,0.295,42,615,482.458,3.692,6,0.374,0.56,1.0,0.17446542389143993,0.2815948187238709,0.46313652251387843,0.472328832842163,0.34788139949283803
EOS-2-37764,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cc(C)[nH]n6)cn5)n34)co2)nn1,NPZKUSMQLILXEW-UHFFFAOYSA-N,2,1,0.361,6,826,482.464,2.917,6,0.357,0.61,0.619,0.3232729079569598,0.210078130354328,0.09783428140634638,0.047255157288739635,0.16961011925159347
EOS-2-37765,COc1cc(-c2nnc3cncc(OCc4nc(-c5ccccn5)no4)n23)ccc1-c1ncnn1C,AVISQMWRBUVFIW-UHFFFAOYSA-N,2,1,0.49,56,415,482.464,2.619,6,0.331,0.68,1.0,0.31853539853334245,0.2254129257761634,0.05802378178329107,0.03397642382290453,0.15898713247892535
EOS-2-37766,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCc3cccc(-c4nnco4)n3)n12,DHLPQVMPZZPONJ-UHFFFAOYSA-N,2,1,0.413,81,218,482.464,2.619,6,0.331,0.61,0.991,0.1942721540675759,0.09612946336782949,0.15194297854842026,0.08760537317524501,0.13248749228976767
EOS-2-37767,COc1nc(-n2cnc(C)c2)ccc1COc1cncc2nnc(-c3ccc(-c4ncon4)cn3)n12,CEQUIFGZXUZESK-UHFFFAOYSA-N,2,1,0.359,80,34,482.464,2.713,6,0.331,0.51,1.0,0.3520749091905969,0.11217531354944829,0.11072750325543143,0.047263724213556305,0.15556036255225825
EOS-2-37768,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cc[nH]n5)n4)n23)ccc1-c1nc(C)no1,HMAPQINIJLBZEM-UHFFFAOYSA-N,2,1,0.402,80,248,482.464,2.917,6,0.357,0.49,1.0,0.3567952847645809,0.215055513672812,0.13055993420601741,0.06934925639092591,0.19293999725858405
EOS-2-37769,COc1cc(-c2nnc3cncc(OCc4nnnn4-c4ccccc4)n23)ccc1-c1noc(C)n1,FJBKXRPCBNPGQX-UHFFFAOYSA-N,2,1,0.443,56,807,482.464,2.713,6,0.331,0.72,1.0,0.3080237817832911,0.23041600986909738,0.05058769104242341,0.03706908368172161,0.15652414159413336
EOS-2-37770,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)ccc1-c1ncon1,YIYLRWABVWPNAB-UHFFFAOYSA-N,2,1,0.434,80,350,482.464,2.619,6,0.331,0.59,1.0,0.3135408813652251,0.15832533753683778,0.19029710095264205,0.10367692413131382,0.1914600609965047
EOS-2-37771,CCOc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)nn1,PJMDWMPMUPRZQZ-UHFFFAOYSA-N,2,1,0.383,81,763,482.464,2.999,6,0.34,0.61,1.0,0.40620930710712083,0.42265780275512305,0.07453224590500994,0.055222397368240694,0.23965543828387365
EOS-2-37772,COc1cc(-c2nnc3cncc(OCc4cncc(-c5nnnn5C)c4)n23)ccc1-c1nc[nH]n1,GRLMQIXZJNDEDH-UHFFFAOYSA-N,2,1,0.416,56,895,482.468,1.749,6,0.353,0.63,1.0,0.3284730313206771,0.1746110616133233,0.09294256733602906,0.056635939962990885,0.16316565005825506
EOS-2-37773,COc1cc(-c2n[nH]c(C)n2)ccc1-c1nnc2cncc(OCc3nnn(-c4ccncc4)n3)n12,XBNZMVAMKUHOGN-UHFFFAOYSA-N,2,1,0.38,56,375,482.468,1.843,6,0.354,0.58,1.0,0.14438695086011924,0.15458159139195393,0.03394215612363786,0.01657699952025221,0.08737192447399081
EOS-2-37774,CSc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2)o1,XSXHGYXDOIQIRA-UHFFFAOYSA-N,2,1,0.74,1,431,482.472,4.744,5,0.29,0.72,1.0,0.8032091700363237,0.7403622095812488,0.7657288739634021,0.667757521759989,0.7442644438352408
EOS-2-37775,COc1cc(-c2nncn2C)cc(F)c1-c1cncc2nnc(-c3ccc(-c4cnc(C)o4)cc3)n12,VWPLEXHKFCHAAO-UHFFFAOYSA-N,2,1,0.337,67,642,482.479,4.365,6,0.356,0.7,1.0,0.4499348913713933,0.4403570694263587,0.5322202042354877,0.42206668494277294,0.4611447124940032
EOS-2-37776,Cc1onc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,KKYLHEUIJBOAFA-UHFFFAOYSA-N,2,1,0.56,67,755,482.479,4.268,6,0.346,0.65,1.0,0.6821071208279076,0.634569255020218,0.3907460078130354,0.38100541429648416,0.5221069494894113
EOS-2-37777,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5noc(-c6ccc(F)cc6)n5)n34)cc2)cn1,JHZWLOJFJMMHIH-UHFFFAOYSA-N,2,1,0.54,40,190,482.479,4.002,6,0.336,0.73,1.0,0.597097525872113,0.6490730587348366,0.3907545747378521,0.3996641765471866,0.509147333972997
EOS-2-37778,Cc1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5F)n34)n2)no1,XHVUFGUUQQDXSE-UHFFFAOYSA-N,2,1,0.458,28,218,482.479,4.268,6,0.346,0.59,1.0,0.5266431361798369,0.5625985196353916,0.5220940991021863,0.4347628675210746,0.5115246556096225
EOS-2-37779,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)n(C)n2)o1,PEFJTURBHIVQGK-UHFFFAOYSA-N,2,1,0.484,77,937,482.479,4.268,6,0.346,0.69,1.0,0.544488040572956,0.6159961620176821,0.3606761017065314,0.3810139812213008,0.47554357137961756
EOS-2-37780,Cn1cc(-c2cc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)ccc2F)cn1,DBRJYWYESICUAJ-UHFFFAOYSA-N,2,1,0.607,77,755,482.479,4.002,6,0.336,0.62,1.0,0.7864436981701048,0.6734373929134397,0.6490987595092865,0.563052566650675,0.6680081043108765
EOS-2-37781,CC(Oc1cncc2nnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)n12)c1ccccc1,OPTKLZLFIVNECB-UHFFFAOYSA-N,2,1,0.588,43,177,482.479,4.087,6,0.335,0.63,1.0,0.7428037831539991,0.7666969364676856,0.5758344184771435,0.6030943732437805,0.6721073778356521
EOS-2-37782,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3c(-c4ccc(F)cn4)nc(C)n3C)n12,HAFHFHLXLPSPDL-UHFFFAOYSA-N,2,1,0.272,98,154,482.483,3.495,6,0.396,0.58,0.978,0.3029864299910904,0.3467120142553629,0.18372626961825783,0.1728805428003564,0.25157631416626686
EOS-2-37783,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(F)cn5)nn4C)n23)cc1,DEPQFPGPGCNEEK-UHFFFAOYSA-N,2,1,0.446,56,415,482.483,3.1,6,0.356,0.68,1.0,0.5497652662600233,0.534661777808238,0.15476149681310397,0.15950757316153794,0.34967402851072577
EOS-2-37784,Cc1ncn(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(-c6cnnn6C)c5)n34)cc2)n1,FKGHOKBCUARAOC-UHFFFAOYSA-N,2,1,0.505,43,807,482.483,3.194,6,0.356,0.7,1.0,0.3614299910903982,0.44036563635117537,0.41951374134740593,0.35816599273524774,0.39486884038105685
EOS-2-37785,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncn6C)c(F)c5)n34)nn2)n1,MWYGXMZGIUNKSI-UHFFFAOYSA-N,2,1,0.473,71,415,482.483,3.1,6,0.356,0.55,1.0,0.4662805839215955,0.47560996504694675,0.3721043794119663,0.3076040024672744,0.40539973271194574
EOS-2-37786,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nc[nH]n5)c(F)c4)n23)cc1,QMOUCQZVUMPYQO-UHFFFAOYSA-N,2,1,0.539,67,520,482.483,3.573,6,0.366,0.65,1.0,0.7545576040024673,0.5823452813378109,0.37595092865465013,0.3453241724350627,0.5145444966074978
EOS-2-37787,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncc6C)cn5)n34)c(F)c2)n[nH]1,QVIJWWJXVPFIAY-UHFFFAOYSA-N,2,1,0.469,4,677,482.483,3.492,6,0.383,0.61,1.0,0.3429511342608457,0.41822870262490575,0.3681036255225824,0.280069906106504,0.35233834212870946
EOS-2-37788,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-n5cccn5)n4)n23)cc1,VLDGMTOABRCGLJ-UHFFFAOYSA-N,2,1,0.463,67,415,482.483,3.369,6,0.34,0.57,1.0,0.38901548900006855,0.3659533273935988,0.1937410047289425,0.18127612912069083,0.2824964875608252
EOS-2-37789,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)n(C)n1,GGVIGFKULQPCEV-UHFFFAOYSA-N,2,1,0.37,67,622,482.483,3.797,6,0.352,0.62,1.0,0.4291600986909739,0.5300356384072373,0.19374957165375917,0.22088102254814612,0.3434565828250291
EOS-2-37790,CCn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,JDAFUURYMULRML-UHFFFAOYSA-N,2,1,0.41,56,763,482.483,3.573,6,0.366,0.64,1.0,0.4934034678911658,0.507453224590501,0.10277739702556371,0.13934103214310192,0.3107437804125831
EOS-2-37791,CCn1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)ccc2F)cn1,BJBZFJMLOGVTOV-UHFFFAOYSA-N,2,1,0.454,56,425,482.483,3.573,6,0.366,0.65,1.0,0.42681276129120693,0.4711551641422795,0.31617949420875885,0.2623963402097183,0.3691359399629909
EOS-2-37792,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)n1C,VLGUEQYGGHHIKA-UHFFFAOYSA-N,2,1,0.442,67,415,482.483,3.1,6,0.333,0.64,1.0,0.45232506339524364,0.5211860050716195,0.3086491672949078,0.31071379617572475,0.3982185079843739
EOS-2-37793,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nnnn5-c5ccc(F)cc5)n34)cc2)n1,YGKSQNIZXLUZIP-UHFFFAOYSA-N,2,1,0.495,67,807,482.483,2.928,6,0.341,0.71,1.0,0.5085412240422178,0.4936347748612158,0.1837348365430745,0.24444006579398259,0.3575877253101226
EOS-2-37794,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccnn6C)cc5F)n34)cn2)cn1,IHZAYIVRLMEBPE-UHFFFAOYSA-N,2,1,0.447,71,549,482.483,3.1,6,0.356,0.56,1.0,0.4333236241518744,0.5028699198135838,0.4235401960112398,0.32926975532862723,0.4222508738263313
EOS-2-37795,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnnn6C)c5)n34)c(F)c2)n1,WBJWPLUYTJXJBS-UHFFFAOYSA-N,2,1,0.484,67,402,482.483,3.1,6,0.356,0.7,1.0,0.5823538482626276,0.6160047289424988,0.3532828455897471,0.3359947913097115,0.4719090535261462
EOS-2-37796,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)nc4)n23)ccc1F,SAXNMMGDYFOGMP-UHFFFAOYSA-N,2,1,0.465,26,247,482.483,3.369,6,0.34,0.72,1.0,0.3591597560139812,0.38978651223356864,0.4195223082722226,0.354859159756014,0.3808319340689466
EOS-2-37797,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(-n5cncn5)nc4)n23)ccc1F,OQDOFYBUGFXTRM-UHFFFAOYSA-N,2,1,0.455,26,911,482.483,3.369,6,0.34,0.68,0.998,0.42204955109313963,0.39448975395791924,0.44544582276745937,0.36179836885751493,0.4059458741690083
EOS-2-37798,COc1cc(-c2n[nH]c(C)n2)ccc1-c1nnc2cncc(-c3ccc(-c4nncn4C)cc3F)n12,KNBOPYCZSMBVJQ-UHFFFAOYSA-N,2,1,0.326,67,745,482.483,3.495,6,0.396,0.7,1.0,0.3029949969159071,0.30228394215612364,0.3417346309368789,0.277157151668837,0.30604268041943666
EOS-2-37799,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(-c6cncn6C)n5)n34)cc2)cn1,LWNMODUCRLVZHO-UHFFFAOYSA-N,2,1,0.421,56,197,482.483,3.1,6,0.356,0.61,1.0,0.4958022068398328,0.5163371256253855,0.3086577342197245,0.25010280309780003,0.39272496744568575
EOS-2-37800,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4F)n23)c(F)c1,TVGKJIQYOKQNNA-UHFFFAOYSA-N,2,1,0.31,42,192,482.498,4.846,6,0.359,0.59,0.97,0.19428072099239257,0.3022925090809403,0.7680076759646357,0.7214464395860462,0.4965068364060037
EOS-2-37801,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)cn2)c(C)n1,OYMLYBATQYYQCX-UHFFFAOYSA-N,2,1,0.5,92,986,417.498,4.019,5,0.415,0.83,1.0,0.262739017202385,0.2408419573709821,0.18374340346789117,0.1282982660544171,0.20390566102391885
EOS-2-37802,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)cn1,MAVXJWBOXDQQRK-UHFFFAOYSA-N,2,1,0.531,65,329,417.498,3.753,5,0.401,0.73,1.0,0.29792337742443975,0.1504951682544034,0.22501884723459667,0.17288910972517305,0.21158162565965322
EOS-2-37803,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccsc4)n23)c1,DCPCBUGAALNYBC-UHFFFAOYSA-N,2,1,0.455,65,905,417.498,3.753,5,0.401,0.6,0.999,0.35208347611541363,0.17461962853813995,0.2760605852923035,0.22088958947296278,0.25591331985470495
EOS-2-37804,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)cn2)c(C)n1,DBSIYLXUVXRVKM-UHFFFAOYSA-N,2,1,0.536,92,860,417.498,4.019,5,0.415,0.79,1.0,0.23585600712768146,0.28160338564868753,0.1487389486669865,0.10561304913988075,0.19295284764580906
EOS-2-37805,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)c1,VGHONTSVLGKUNU-UHFFFAOYSA-N,2,1,0.471,65,981,417.498,3.753,5,0.401,0.69,1.0,0.44045130559934204,0.3416575286135289,0.21791686656157905,0.1622061544787883,0.29055796381330956
EOS-2-37806,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)nn1C,SGFPSHXZEZLMJN-UHFFFAOYSA-N,2,1,0.494,65,142,417.498,3.578,5,0.42,0.63,1.0,0.3476458090603797,0.2007401823041601,0.232463504900281,0.16474196422452198,0.23639786512233568
EOS-2-37807,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cn(C)cn5)n34)c2)cs1,PSYLATNPXVBNMC-UHFFFAOYSA-N,2,1,0.494,15,684,417.498,3.578,5,0.42,0.76,1.0,0.47090672332259614,0.31774724145020905,0.17733534370502366,0.1303286272359674,0.27407948392844905
EOS-2-37808,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)c2)cn1,PAVJYIWNNITZQC-UHFFFAOYSA-N,2,1,0.512,4,506,417.498,4.019,5,0.415,0.76,1.0,0.14701699677883626,0.18278390788842436,0.16139229662120486,0.11727263381536564,0.15211645877595778
EOS-2-37809,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,NUKUIINFMOFBMX-UHFFFAOYSA-N,2,1,0.564,75,329,417.498,3.578,5,0.42,0.74,1.0,0.29245767939140566,0.2150640805976287,0.16759475018847234,0.13934959906791858,0.20361652731135632
EOS-2-37810,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)nn1C,RZUWGROSCSHPNT-UHFFFAOYSA-N,2,1,0.608,15,931,417.498,3.578,5,0.42,0.71,1.0,0.39561202110890276,0.2609056952916181,0.10550167911726406,0.08761394010006168,0.21240833390446168
EOS-2-37811,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)n(C)n1,WFWJUYHNUVIWKO-UHFFFAOYSA-N,2,1,0.592,15,931,417.498,3.578,5,0.42,0.73,1.0,0.3821876499211843,0.2353077239394147,0.11935439654581591,0.10142382290453018,0.2095683983277363
EOS-2-37812,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)cn1,VOQCMJTUPHTKHT-UHFFFAOYSA-N,2,1,0.476,65,468,417.498,3.753,5,0.401,0.72,1.0,0.31354944829004183,0.2662600233020355,0.2144986635597286,0.16475053114933863,0.23976466657528617
EOS-2-37813,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)c2)s1,NJHDVISVCHRRBN-UHFFFAOYSA-N,2,1,0.55,15,655,417.498,3.578,5,0.42,0.78,1.0,0.379900280995134,0.3271451579740936,0.22883112877801384,0.16733774244397231,0.27580357754780344
EOS-2-37814,Cc1nn(C)cc1-c1cccc(-c2nnc3cncc(OCc4scnc4C)n23)c1,BSLDFNQFKULREL-UHFFFAOYSA-N,2,1,0.5,15,506,417.498,3.844,5,0.432,0.63,1.0,0.2192361729833459,0.17001918991158935,0.18041943663902404,0.12181310396819958,0.1728719758755397
EOS-2-37815,CCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccs5)n34)c2)cn1,KFCGWLRALQOPCW-UHFFFAOYSA-N,2,1,0.506,18,711,417.498,3.753,5,0.401,0.79,1.0,0.26274758412720167,0.1182406963196491,0.1773439106298403,0.1417140703173189,0.17501156534850248
EOS-2-37816,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccsc4)n23)c1,MBQAVDCYOAPQRS-UHFFFAOYSA-N,2,1,0.55,15,931,417.498,3.753,5,0.401,0.7,1.0,0.3382821602357618,0.18714447262010828,0.12237852100609965,0.12182167089301624,0.1924067061887465
EOS-2-37817,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)nn1,BPTKQEJYVHJQRP-UHFFFAOYSA-N,2,1,0.54,81,120,482.504,4.485,6,0.342,0.68,1.0,0.5740867658145432,0.6160132958673155,0.515497566993352,0.4630080186416284,0.5421514118292098
EOS-2-37818,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)cn2)nc1,UBBMBECQZGPJTN-UHFFFAOYSA-N,2,1,0.529,81,2,482.504,4.485,6,0.342,0.68,1.0,0.9127630045918717,0.7078678637516277,0.5559934206017408,0.5167226372421355,0.6733367315468439
EOS-2-37819,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nncs6)nn5)n34)cc2)cc1,IZQKYJREJGUTQT-UHFFFAOYSA-N,2,1,0.53,77,937,482.504,4.485,6,0.342,0.69,1.0,0.7185593859228291,0.8121102049208416,0.48399698444246453,0.5400418065931053,0.6386770954698101
EOS-2-37820,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6ccns6)cn5)n34)c2)c1,QNXMUYLYGNHCHX-UHFFFAOYSA-N,2,1,0.489,80,200,482.504,4.485,6,0.342,0.7,1.0,0.47615824823521347,0.46264820779932836,0.5758429854019601,0.5566530738126242,0.5178256288122816
EOS-2-37821,Cc1ccnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)sn1,PNUUNCOZLOKTCH-UHFFFAOYSA-N,2,1,0.408,28,870,482.504,5.007,6,0.338,0.52,0.994,0.6308597765746008,0.6490816256596532,0.44191624974299226,0.44399801247344256,0.5414639161126722
EOS-2-37822,Fc1ccc(-c2ncsc2COc2cncc3nnc(-c4nccnc4-c4ccccc4)n23)cn1,VKKGBWKZOKHANL-UHFFFAOYSA-N,2,1,0.389,64,365,482.504,4.485,6,0.32,0.59,0.995,0.6424422589267357,0.5581180179562745,0.2905558220821054,0.3453327393598794,0.45911220958124876
EOS-2-37823,Fc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cn1,IEEWWVFZSJBBTI-UHFFFAOYSA-N,2,1,0.479,40,120,482.504,4.485,6,0.32,0.73,1.0,0.5342762661914879,0.6440699746419025,0.3454869440065794,0.3872164347885683,0.4777624049071345
EOS-2-37824,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)ns5)n34)nc2)nc1,KIEKMIPOCMKVHR-UHFFFAOYSA-N,2,1,0.406,28,857,482.504,4.485,6,0.342,0.63,1.0,0.46848228359947913,0.5346703447330546,0.27955589061750397,0.33265369063121103,0.4038405523953122
EOS-2-37825,Fc1ccc(COc2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cc1-c1cscn1,AEWKCRBTJPZTCO-UHFFFAOYSA-N,2,1,0.432,77,177,482.504,4.485,6,0.342,0.59,1.0,0.5942447399081625,0.4756185319717634,0.470212802412446,0.523130697005003,0.5158016928243437
EOS-2-37826,COc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)nc2)s1,IYEMCTUUASELMR-UHFFFAOYSA-N,2,1,0.32,32,572,482.504,4.582,6,0.352,0.67,1.0,0.4220581180179563,0.4936433417860325,0.37211294633678293,0.3713162223288328,0.41478265711740114
EOS-2-37827,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)s5)n34)nc2)ccn1,VAKBGZUUQJZFRG-UHFFFAOYSA-N,2,1,0.402,6,414,482.504,4.485,6,0.32,0.66,1.0,0.6729148104996231,0.6783291069837571,0.452753409636077,0.4347714344458913,0.5596921903913371
EOS-2-37828,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cn2)ccn1,GZCMLZQVJYFYRJ-UHFFFAOYSA-N,2,1,0.511,28,667,482.504,4.485,6,0.32,0.65,1.0,0.5419008292783223,0.6060670961551642,0.5851466657528613,0.5301812761291207,0.5658239668288672
EOS-2-37829,COc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)nc2)s1,LVNCMOPVTBKHSD-UHFFFAOYSA-N,2,1,0.341,38,787,482.504,4.582,6,0.352,0.68,1.0,0.447390514700843,0.47562709889658006,0.3944811870331026,0.3839438695086012,0.42536066753478174
EOS-2-37830,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccs6)n5)n34)nn2)cc1,QXUYUSUSAGJUAV-UHFFFAOYSA-N,2,1,0.406,28,218,482.504,4.485,6,0.342,0.84,0.999,0.5713196490987595,0.6108988417517648,0.4120262490576383,0.45988109108354464,0.5135314577479269
EOS-2-37831,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ccsc5)cn4)n23)ccc1-c1cncnc1,LXCGURXOONIZLS-UHFFFAOYSA-N,2,1,0.489,80,355,482.504,4.485,6,0.342,0.63,1.0,0.7063857857583442,0.6832036872044411,0.6279298882873003,0.60031868960318,0.6544595127133165
EOS-2-37832,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccns6)nn5)n34)cc2)c1,BWEDPNSVSNIPAH-UHFFFAOYSA-N,2,1,0.5,41,25,482.504,4.485,6,0.342,0.67,1.0,0.6483534370502364,0.6686399150161059,0.5322287711603043,0.5467325748749229,0.5989886745253924
EOS-2-37833,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)nn4)n23)ccc1-c1ccncc1,XSNQBWHWNGPZGK-UHFFFAOYSA-N,2,1,0.465,40,518,482.504,4.485,6,0.342,0.7,1.0,0.7063943526831609,0.6930470838187924,0.5118566239462683,0.5436741827153725,0.6137430607908985
EOS-2-37834,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)s2)cn1,SFUNKQCXTKALHF-UHFFFAOYSA-N,2,1,0.398,6,414,482.504,4.485,6,0.32,0.65,1.0,0.4523336303200603,0.4492238366116099,0.5255894044273868,0.4903622095812487,0.4793772702350764
EOS-2-37835,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5sncc5-c5cccnn5)n34)cc2)nc1,KBSWFONFTZMFRL-UHFFFAOYSA-N,2,1,0.494,40,2,482.504,4.485,6,0.342,0.73,1.0,0.8292097868549105,0.7215235419093962,0.48061304913988073,0.5033496676033171,0.6336740113768761
EOS-2-37836,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccc6)s5)n34)nc2)cn1,WMCDYNSTQGFTKJ-UHFFFAOYSA-N,2,1,0.415,77,177,482.504,4.485,6,0.32,0.74,1.0,0.4172777739702556,0.47563566582139677,0.3380679871153451,0.38395243643341787,0.40373346583510383
EOS-2-37837,N#Cc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nc1,NNLDWBLGHYIPIE-UHFFFAOYSA-N,2,1,0.5,41,363,482.507,4.761,6,0.334,0.76,1.0,0.6028802001233637,0.5770423548762936,0.7519104242341169,0.7107806181892947,0.6606533993557672
EOS-2-37838,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cn(C)nc6C)nc5)n34)n2C)no1,IOUKSLQCMAIJFR-UHFFFAOYSA-N,2,1,0.394,92,843,482.508,3.171,6,0.352,0.63,1.0,0.2868720444109383,0.21008669727914467,0.08109451031457748,0.03823418545678843,0.15407185936536222
EOS-2-37839,COCCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5nnc6ccccn56)n34)cn2)c1,POVQEMLETRSGRZ-UHFFFAOYSA-N,2,1,0.39,58,981,482.508,2.36,6,0.306,0.71,1.0,0.3310345418408608,0.1746281954629566,0.04368274964018916,0.045867315468439446,0.1488032006031115
EOS-2-37840,c1ccc(-n2nccc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)cc1,GAAHDOFOIRVOPQ-UHFFFAOYSA-N,2,1,0.286,93,465,482.511,4.491,7,0.384,0.55,1.0,0.04895997532725653,0.08338187924062779,0.40526694537728736,0.4473819477760263,0.24624768693029953
EOS-2-37841,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)n4C)n23)cc1,ZNFREKNMDZJBDN-UHFFFAOYSA-N,2,1,0.429,67,734,482.512,2.178,6,0.336,0.62,1.0,0.2571019806730176,0.1746367623877733,0.03134637790418751,0.022650949215269688,0.121434017545062
EOS-2-37842,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(F)ncc6F)cn5)n34)s2)cc1,JGKSJVICVIFVLU-UHFFFAOYSA-N,2,1,0.278,32,20,482.519,6.23,6,0.279,0.7,1.0,0.2627561510520184,0.39449832088273595,0.8794548009046672,0.8807998081008841,0.6043772702350765
EOS-2-37843,Cc1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2F)s1,AFMYKUKQWCMELL-UHFFFAOYSA-N,2,1,0.38,93,107,482.519,6.23,6,0.298,0.65,1.0,0.28419916386813787,0.4756442327462134,0.8298523062161607,0.8660218627921321,0.6139293914056609
EOS-2-37844,FC(F)c1nccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)c2)n1,MNAZRVDKSITELU-UHFFFAOYSA-N,2,1,0.316,69,484,482.519,6.581,6,0.278,0.77,1.0,0.2653604961962854,0.3993986018778699,0.8571722294565143,0.8380251524912617,0.5899891200054829
EOS-2-37845,N#Cc1ccc(COc2cncc3nnc(-c4cccc(-c5nncs5)c4)n23)s1,ZVTNBYYZEBYZQQ-UHFFFAOYSA-N,2,1,0.489,72,506,417.479,3.822,5,0.428,0.73,1.0,0.5240730587348366,0.5823538482626276,0.405275512302104,0.38102254814611747,0.4731812418614214
EOS-2-37846,Fc1ccc2c(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c(-c3ccccc3)nn2c1,RQLDGMHUAQEJEL-UHFFFAOYSA-N,2,1,0.36,21,810,482.522,6.579,7,0.284,0.67,1.0,0.2896134603522719,0.4363134809128915,0.8381108217394284,0.8987475155918032,0.6156963196490988
EOS-2-37847,CC#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,ZOGVJJNHJHDXJP-UHFFFAOYSA-N,2,1,0.689,12,347,417.472,4.804,5,0.384,0.79,1.0,0.7835395106572545,0.5438712219861559,0.8242409704612432,0.7554656980330341,0.726779350284422
EOS-2-37848,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)cc4)n23)cc1,URTJLNCLCBCVKN-UHFFFAOYSA-N,2,1,0.873,79,650,417.472,4.951,5,0.391,0.8,1.0,0.9934891371393325,0.9883746830237817,0.8937615653485025,0.887739017202385,0.9408411006785005
EOS-2-37849,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5cccc(-c6nnc(C)o6)c5)c4)n23)n1,QMIJUXZTSIFPMH-UHFFFAOYSA-N,2,1,0.484,81,667,482.529,4.556,6,0.337,0.61,1.0,0.2924662463162223,0.30230107600575695,0.15803406209307108,0.12416044136796656,0.2192404564457542
EOS-2-37850,CCc1nc(-c2nnc3cncc(OCc4ccccc4-c4nnco4)n23)ccc1-c1nccs1,JCWWUQNLCZOFBT-UHFFFAOYSA-N,2,1,0.412,81,218,482.529,4.501,6,0.324,0.53,0.288,0.3359519566856281,0.22542149270098005,0.13056850113083407,0.11952573504214926,0.20286692138989787
EOS-2-37851,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Oc6ccccc6)s5)n34)ccn2)c1,DDAGWJDVIUXGBE-UHFFFAOYSA-N,2,1,0.457,28,942,482.529,4.415,6,0.329,0.65,1.0,0.4082825029127544,0.2766088684805702,0.2504026454663834,0.18649338633404153,0.2804468507984374
EOS-2-37852,Fc1ccccc1-c1ccnc(-c2nnc3cncc(OCCc4ccsc4)n23)c1,DDACQEWJAQQFPG-UHFFFAOYSA-N,2,1,0.542,11,503,417.469,4.675,5,0.402,0.79,1.0,0.6939723116989925,0.6345778219450346,0.7009200877253101,0.7321379617572477,0.6904020457816462
EOS-2-37853,Cc1cccc(-c2nnc3cncc(OCc4cc(-c5ccsc5)c(F)cn4)n23)c1,FHRIHKXXQFTFJR-UHFFFAOYSA-N,2,1,0.541,97,744,417.469,4.941,5,0.405,0.72,1.0,0.6112757864436982,0.5920944417791789,0.7840363922966213,0.7504112123912,0.6844544582276746
EOS-2-37854,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)c(F)c2)ccn1,QRCGHMSGRSHCRD-UHFFFAOYSA-N,2,1,0.53,97,91,417.469,4.941,5,0.405,0.77,1.0,0.8292183537797272,0.8161109588102254,0.8242495373860599,0.7755294359536701,0.8112770714824207
EOS-2-37855,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccs5)n34)c2)nc1,ZWDOZZZKVMRDQA-UHFFFAOYSA-N,2,1,0.612,11,275,417.469,4.675,5,0.402,0.83,1.0,0.9386950860119252,0.8608817079021315,0.6605013364402714,0.6707216777465561,0.7826999520252211
EOS-2-37856,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2)nc1,QLCWADKQRPDXRV-UHFFFAOYSA-N,2,1,0.595,35,201,417.469,4.675,5,0.402,0.78,1.0,0.9542354876293606,0.8984391062984032,0.7267579329723802,0.7160235761770954,0.82386402576931
EOS-2-37857,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cn1,SGSBBICOXSFZKP-UHFFFAOYSA-N,2,1,0.61,35,111,417.469,4.675,5,0.376,0.76,1.0,0.9405626756219587,0.9157185936536221,0.7701494071688026,0.7554742649578507,0.8454762353505585
EOS-2-37858,Fc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,VCFWTXHZUWNAEA-UHFFFAOYSA-N,2,1,0.658,11,159,417.469,4.675,5,0.402,0.83,1.0,0.8111335754917415,0.6979644986635597,0.7446970735384826,0.745279624426016,0.7497686930299499
EOS-2-37859,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6csc(C)n6)n5)n34)nc2)n[nH]1,ZYAZNRRFAWZVSA-UHFFFAOYSA-N,2,1,0.408,6,122,482.533,3.686,6,0.377,0.65,0.117,0.28133781097937083,0.29236344321842234,0.08110307723939415,0.05372318552532383,0.1771318792406278
EOS-2-37860,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cscn5)n4)n23)cc1,FYVNQVXSSMWRLZ-UHFFFAOYSA-N,2,1,0.433,56,415,482.533,3.562,6,0.336,0.62,1.0,0.36143855801521485,0.21507264752244534,0.1001987526557467,0.08944726201082859,0.19153930505105887
EOS-2-37861,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6nncn6C)c5)n34)cc2)cs1,FJYWPBZWBFPXRQ-UHFFFAOYSA-N,2,1,0.511,67,415,482.533,3.388,6,0.351,0.64,0.981,0.39116578712905214,0.23042457679391407,0.11659584675484888,0.09723459666917963,0.2088552018367487
EOS-2-37862,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)s1,IYSDCZKDAAZBNL-UHFFFAOYSA-N,2,1,0.478,67,609,482.533,3.388,6,0.351,0.61,1.0,0.3752141731204167,0.2662685902268522,0.06396922760605853,0.053731752450140495,0.18979593585086696
EOS-2-37863,Cc1nn(C)cc1-c1ccnnc1COc1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,SGUADJLVKKCPPN-UHFFFAOYSA-N,2,1,0.457,71,117,482.533,3.388,6,0.351,0.58,1.0,0.20262490576382702,0.21009526420396135,0.1614008635460215,0.1283068329792338,0.17560696662326092
EOS-2-37864,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cnnn6C)n5)n34)ccn2)s1,XTUUSYPXQIQPSF-UHFFFAOYSA-N,2,1,0.463,6,597,482.533,3.388,6,0.351,0.63,0.999,0.15556678774587074,0.20074874922897676,0.10020731958056336,0.07315297100952642,0.13241895689123434
EOS-2-37865,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cn(C)nn6)nc5)n34)cc2)s1,SWPPREINFNLBSU-UHFFFAOYSA-N,2,1,0.534,71,49,482.533,3.388,6,0.351,0.63,1.0,0.30300356384072374,0.1959512713316428,0.11936296347063258,0.08762250702487835,0.17648507641696937
EOS-2-37866,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccsc6)nn5)n34)cc2)n(C)n1,UJLQPSGXRMRMGC-UHFFFAOYSA-N,2,1,0.457,56,415,482.533,3.388,6,0.351,0.61,1.0,0.31854396545815916,0.26627715715166883,0.05621616064697416,0.04727229113837297,0.1720773935987938
EOS-2-37867,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cnn(C)c6)cs5)n34)cn2)nn1,GZBDXXONLHPNQS-UHFFFAOYSA-N,2,1,0.426,92,549,482.533,3.388,6,0.351,0.6,1.0,0.3284815982454938,0.3177558083750257,0.14874751559180316,0.10562161606469742,0.22515163456925502
EOS-2-37868,Cc1cc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ncn2)cnn1,DEYMOSAYJPDJSI-UHFFFAOYSA-N,2,1,0.394,31,238,417.458,2.691,5,0.425,0.62,0.996,0.20832191076691112,0.15833390446165443,0.05059625796724008,0.03180899184428757,0.11226526626002331
EOS-2-37869,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)c(C)n1,MKJJSJYWDJIVER-UHFFFAOYSA-N,2,1,0.424,7,113,417.458,2.691,5,0.425,0.56,0.999,0.2953018984305394,0.13934959906791858,0.05437427181139058,0.03286272359673772,0.13047212322664659
EOS-2-37870,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5nc(C)ns5)n34)c2)cn1,HCXUSRSXPYWQPT-UHFFFAOYSA-N,2,1,0.4,7,720,417.458,2.691,5,0.425,0.64,1.0,0.20540058940442738,0.18279247481324104,0.026797340826536908,0.017819203618669042,0.1082024021657186
EOS-2-37871,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnsc5)n34)ncn2)cn1,JYNOYQXMDHCOLU-UHFFFAOYSA-N,2,1,0.413,31,296,417.458,2.425,5,0.41,0.61,0.999,0.415178877390172,0.215081214447262,0.05803234870810774,0.04863443218422315,0.18423171818244122
EOS-2-37872,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)s1,ZNRVIQFRVWFBHU-UHFFFAOYSA-N,2,1,0.457,65,822,417.458,2.425,5,0.41,0.65,1.0,0.4062178740319375,0.292372010143239,0.03520149407168802,0.03181755876910424,0.1914022342539922
EOS-2-37873,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccn2)s1,PHVWXCKNDMLLSO-UHFFFAOYSA-N,2,1,0.5,75,241,417.458,2.425,5,0.41,0.63,1.0,0.4612517990542115,0.34672058118017957,0.0164998971969022,0.013347268864368446,0.2094548865739154
EOS-2-37874,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)s1,OBELDXNRAMZSOM-UHFFFAOYSA-N,2,1,0.505,65,361,417.458,2.425,5,0.41,0.66,0.996,0.5523096429305736,0.5028784867384004,0.03927935028442191,0.03609245425262148,0.2826399835515044
EOS-2-37875,COc1cncnc1COc1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,JMTWEYCQLGUGTQ-UHFFFAOYSA-N,2,1,0.483,4,22,417.454,3.292,5,0.415,0.7,1.0,0.4357223631005414,0.40420464670002054,0.2359502433006648,0.1540333082036872,0.3074776403262285
EOS-2-37876,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ccn2)cn1,COTQXIVQTGDNND-UHFFFAOYSA-N,2,1,0.477,51,441,417.454,2.776,5,0.449,0.73,1.0,0.4243883215680899,0.3564269069974642,0.29056438900692205,0.22989342745528066,0.3253182612569392
EOS-2-37877,COc1cc(-c2nnc3cncc(OCc4cnccn4)n23)ccc1-c1cncs1,OZUXKBNWFMRWPN-UHFFFAOYSA-N,2,1,0.518,16,815,417.454,3.292,5,0.415,0.71,1.0,0.3890240559248852,0.3611301487218148,0.35329141251456375,0.23562470015763143,0.3347675793297238
EOS-2-37878,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)cc1,XEFZKYAAPKQYFE-UHFFFAOYSA-N,2,1,0.523,89,22,417.454,2.776,5,0.449,0.72,1.0,0.3660646974162155,0.3467291481049962,0.4306250428346241,0.3618069357823316,0.3763064560345418
EOS-2-37879,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncs5)cn4)n23)cc1,UMDXAHFVIFAVOT-UHFFFAOYSA-N,2,1,0.529,89,731,417.454,2.776,5,0.449,0.68,1.0,0.5713282160235762,0.5074617915153177,0.36068466863134807,0.2918665615790556,0.4328353094373244
EOS-2-37880,COc1nc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ccccn1,GQVURHIBKMTPBG-UHFFFAOYSA-N,2,1,0.46,49,501,417.454,3.292,5,0.415,0.57,1.0,0.37990884791995067,0.22005859776574602,0.13988074840655199,0.0972431635939963,0.20927283942156125
EOS-2-37881,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccns5)n34)c2)cn1,OBZQHKWXWDCCPZ-UHFFFAOYSA-N,2,1,0.449,18,160,417.454,2.776,5,0.449,0.64,1.0,0.3310431087656775,0.24586217531354945,0.30145295044890685,0.2532468645055171,0.2829012747584127
EOS-2-37882,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cncnc1,QPMIILONWMFISO-UHFFFAOYSA-N,2,1,0.494,16,256,417.454,3.292,5,0.415,0.61,1.0,0.49581077376464944,0.3271537248989103,0.39448975395791924,0.2831539990405044,0.37515206291549585
EOS-2-37883,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)cn1,VBWOGILWPCJUEW-UHFFFAOYSA-N,2,1,0.471,55,879,417.454,3.292,5,0.415,0.67,1.0,0.4958193406894661,0.3848690973888013,0.27606915221712014,0.17839764238229044,0.33378880816941947
EOS-2-37884,COc1ncncc1-c1cc(-c2nnc3cncc(OCc4ccsc4)n23)ccn1,OGDIFJWQSPDNNO-UHFFFAOYSA-N,2,1,0.466,75,441,417.454,3.292,5,0.415,0.71,1.0,0.4568312658488109,0.29238057706805565,0.2979490781988897,0.19220752518675896,0.30984211157562885
EOS-2-37885,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)nn2C)n(C)n1,UQHDLAMHFQIQJI-UHFFFAOYSA-N,2,1,0.386,31,569,417.437,1.04,5,0.398,0.59,1.0,0.08446131176752793,0.007718799259817696,0.002732849016517031,0.00062538551161675,0.023884586388869852
EOS-2-37886,c1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)cn2)cc1,NWBTWSDPWKSGJK-UHFFFAOYSA-N,2,1,0.323,30,705,417.436,3.496,6,0.433,0.73,1.0,0.005662737303817422,0.014109725173051882,0.34174319786169555,0.4027054348571037,0.19105527379891712
EOS-2-37887,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nn2)cc1,IZYQBOWQJFUFRR-UHFFFAOYSA-N,2,1,0.343,3,115,417.436,3.496,6,0.433,0.75,1.0,0.011034199163868138,0.01697107806181893,0.3014615173737235,0.3421372764032623,0.16790101775066824
EOS-2-37888,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)c1,VPKFOEDYUSXMBB-UHFFFAOYSA-N,2,1,0.289,38,154,417.436,3.7,6,0.466,0.73,1.0,0.15287677335343705,0.15834247138647112,0.4561716126379275,0.47532725652799673,0.3106795284764581
EOS-2-37889,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnn6)cc5)n34)cn2)cc1,GFJWRTATPSZQIE-UHFFFAOYSA-N,2,1,0.316,3,668,417.436,3.496,6,0.433,0.73,1.0,0.016722637242135564,0.0127475841272017,0.4631450894386951,0.4873209512713316,0.24498406551984098
EOS-2-37890,c1ccc(-c2ncccc2-c2nnc3cncc(-c4n[nH]c(-c5ccccn5)n4)n23)cc1,RGPLEMZSCWXEPV-UHFFFAOYSA-N,2,1,0.295,30,371,417.436,3.7,6,0.466,0.69,0.321,0.06593105338907546,0.12531697621821672,0.16760331711328902,0.2501113700226167,0.15224067918579948
EOS-2-37891,c1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)c1,AWWJSJYSOMXELU-UHFFFAOYSA-N,2,1,0.276,42,957,417.436,3.496,6,0.433,0.77,1.0,0.0014049756699335207,0.00907237338085121,0.44892399424302654,0.4566770612021109,0.22901960112398054
EOS-2-37892,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)cc1,BJFGMPPQVSCYSU-UHFFFAOYSA-N,2,1,0.311,30,945,417.436,3.7,6,0.466,0.71,1.0,0.09416763758481256,0.13199061065040094,0.3644541155506819,0.40271400178192035,0.24833159139195393
EOS-2-37893,c1ccc(-c2ccc(-c3nnc4cncc(-c5cncnc5-n5nccn5)n34)cc2)cc1,AJANRPDEKNVLAB-UHFFFAOYSA-N,2,1,0.352,9,774,417.436,3.496,6,0.433,0.79,1.0,0.04450517442258927,0.06910081557124255,0.30513672812007403,0.39967274347200327,0.2046038653964773
EOS-2-37894,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cn2)cc1,PAXUIVXKJBZNMW-UHFFFAOYSA-N,2,1,0.352,93,220,417.436,3.7,6,0.466,0.75,1.0,0.14702556370365294,0.15459015831677062,0.4527619765608937,0.49657323007333287,0.3127377321636625
EOS-2-37895,c1ccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)nn2)cc1,XJUCASQZGYIXKV-UHFFFAOYSA-N,2,1,0.305,30,37,417.436,3.496,6,0.433,0.7,1.0,0.002107463504900281,0.012756151052018367,0.20787643067644437,0.28007847303132066,0.12570462956617093
EOS-2-37896,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)nc1,RFQHRIKDVSVBGR-UHFFFAOYSA-N,2,1,0.31,9,556,417.436,3.7,6,0.466,0.7,1.0,0.15824823521348777,0.12532554314303337,0.4345058597765746,0.4250651086286067,0.2857861866904256
EOS-2-37897,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)cc1,JYMKEYVEYAAZBM-UHFFFAOYSA-N,2,1,0.311,10,195,417.436,3.496,6,0.433,0.72,0.91,0.007187649921184292,0.027045781646220273,0.3759594955794668,0.3935730930025358,0.20094150503735178
EOS-2-37898,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)nc2)cc1,KHKNHLSESOIDLR-UHFFFAOYSA-N,2,1,0.276,30,301,417.436,3.7,6,0.466,0.73,0.999,0.09659207730792954,0.11824926324446576,0.35329997943938046,0.4057124254677541,0.24346343636488246
EOS-2-37899,c1cc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,ODJBLMHCMCUQJN-UHFFFAOYSA-N,2,1,0.299,9,7,417.436,3.7,6,0.466,0.58,1.0,0.1280069906106504,0.11825783016928243,0.5458587485436228,0.55003084092934,0.3355386025632239
EOS-2-37900,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)c5)n34)cc2)nc1,YCPKITWYGIACNL-UHFFFAOYSA-N,2,1,0.316,9,98,417.436,3.7,6,0.466,0.78,1.0,0.12511137002261669,0.13558015214858474,0.45950414639161125,0.4996830237817833,0.304969673086149
EOS-2-37901,c1cncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)cc2)c1,BUXKWIPSYIGVJZ-UHFFFAOYSA-N,2,1,0.303,42,620,417.436,3.496,6,0.433,0.78,1.0,0.004060722363100541,0.02490405044205332,0.43834384209444177,0.47819717634158043,0.23637644781029402
EOS-2-37902,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cn1,PCTPLGMDQNHTCF-UHFFFAOYSA-N,2,1,0.338,9,556,417.436,3.7,6,0.466,0.66,1.0,0.1502295935850867,0.12533411006785006,0.5011565348502501,0.4933434994174491,0.31751593448015897
EOS-2-37903,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)cc2)cc1,GIHDJRMHKJDVEJ-UHFFFAOYSA-N,2,1,0.357,93,774,417.436,3.7,6,0.466,0.78,1.0,0.1528853402782537,0.1828010417380577,0.43063360975944076,0.5065536974847509,0.31821842231512576
EOS-2-37904,c1cncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)c1,NLODBVIQVRLQGA-UHFFFAOYSA-N,2,1,0.289,42,106,417.436,3.7,6,0.466,0.7,1.0,0.17447399081625659,0.15050373517922006,0.4454543896922761,0.447390514700843,0.30445565759714893
EOS-2-37905,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cn2)cc1,MOHNGMIBHIXQQI-UHFFFAOYSA-N,2,1,0.273,70,195,417.436,3.496,6,0.433,0.74,0.957,0.002681447467617024,0.007727366184634364,0.3721215132615996,0.3935816599273525,0.19402799671030085
EOS-2-37906,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,OZUPPYAAMWOFME-UHFFFAOYSA-N,2,1,0.301,9,537,417.436,3.7,6,0.466,0.69,1.0,0.15023816050990335,0.1253426769926667,0.4908162565965321,0.4933520663422658,0.314937290110342
EOS-2-37907,c1ccc(-c2nnccc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,SQRPBPDISAMILS-UHFFFAOYSA-N,2,1,0.333,30,39,417.436,3.496,6,0.433,0.69,1.0,0.005285792611884038,0.015480433143718731,0.23974539099444864,0.34534130628469606,0.15146323075868687
EOS-2-37908,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cn1,RCZZWEHHIBSLEL-UHFFFAOYSA-N,2,1,0.282,42,171,417.436,3.7,6,0.466,0.67,1.0,0.11143855801521486,0.13935816599273526,0.5526266191487903,0.5336594476046879,0.33427069769035705
EOS-2-37909,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)nc5)n34)cc2)cn1,COXFXEQZHCVEMR-UHFFFAOYSA-N,2,1,0.282,42,171,417.436,3.7,6,0.466,0.7,1.0,0.08930162428894524,0.14659721746281953,0.5424662463162223,0.5336680145295045,0.3280082756493729
EOS-2-37910,c1cc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1,BSDPWLPNUUMWEV-UHFFFAOYSA-N,2,1,0.295,9,98,417.436,3.7,6,0.466,0.62,1.0,0.09417620450962923,0.07642553628949353,0.597894249880063,0.6128606675347817,0.3453391645534919
EOS-2-37911,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]cn6)cc5)n34)cn2)cn1,QZEROOBSASVRBY-UHFFFAOYSA-N,2,1,0.319,42,327,417.436,3.7,6,0.466,0.6,1.0,0.12238708793091632,0.09286546501267905,0.49082482352134876,0.4753358234528134,0.2953532999794394
EOS-2-37912,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cn2)cc1,UDVDBVMHOVTXDK-UHFFFAOYSA-N,2,1,0.319,30,945,417.436,3.7,6,0.466,0.71,1.0,0.12801555753546706,0.13558871907340142,0.3606932355561648,0.39968131039682,0.25599470564046334
EOS-2-37913,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cn5)n34)cn2)c1,BFSRXKHXZDHXQV-UHFFFAOYSA-N,2,1,0.305,32,392,417.436,3.7,6,0.466,0.64,0.996,0.16099821807963813,0.14660578438763622,0.44546295661709273,0.44739908162565967,0.3001165101775067
EOS-2-37914,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)n2)cc1,FAHWKPPQBBHFFN-UHFFFAOYSA-N,2,1,0.281,30,871,417.436,3.496,6,0.433,0.74,0.783,0.00777876773353437,0.010862860667534781,0.25041121239120007,0.3199061065040093,0.14723973682406963
EOS-2-37915,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nn2)cc1,GVVNMCUMVQCHOL-UHFFFAOYSA-N,2,1,0.347,30,39,417.436,3.496,6,0.433,0.76,1.0,0.008301350147351106,0.016979644986635598,0.36070180248098144,0.40921629771777124,0.19879977383318484
EOS-2-37916,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)cn2)cc1,HSMFHRSEVJXKHI-UHFFFAOYSA-N,2,1,0.307,30,945,417.436,3.7,6,0.466,0.58,1.0,0.06802138304434241,0.10568158453841409,0.4235487629360565,0.4630165855664451,0.26506707902131454
EOS-2-37917,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cn1,GTQHSYAEFSPSNX-UHFFFAOYSA-N,2,1,0.297,9,834,417.436,3.7,6,0.466,0.71,1.0,0.13097971352203414,0.1319991775752176,0.5622901103419916,0.5566616407374408,0.34548266054417104
EOS-2-37918,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cn1,DKEBMNSGNORIQN-UHFFFAOYSA-N,2,1,0.297,9,834,417.436,3.7,6,0.466,0.71,1.0,0.1309882804468508,0.13200774450003427,0.5622986772668083,0.5566702076622576,0.34549122746898775
EOS-2-37919,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2)cn1,GHEQYKHMPKZPHM-UHFFFAOYSA-N,2,1,0.315,38,983,417.436,3.7,6,0.466,0.66,1.0,0.12511993694743334,0.13201631142485093,0.4840055513672812,0.47534439037763004,0.3041215475292989
EOS-2-37920,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)nc1,ARTXXTMGBBUKRP-UHFFFAOYSA-N,2,1,0.289,32,154,417.436,3.7,6,0.466,0.71,1.0,0.12239565485573299,0.13936673291755192,0.4015917346309369,0.4092248646425879,0.2681447467617024
EOS-2-37921,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1,IZXSQXAJPNXASA-UHFFFAOYSA-N,2,1,0.282,9,7,417.436,3.7,6,0.466,0.73,1.0,0.1470341306284696,0.12166746624631622,0.3234271126036598,0.35817455966006445,0.2375758172846275
EOS-2-37922,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)nc5)n34)cc2)nc1,UOTHNTAEELEAIW-UHFFFAOYSA-N,2,1,0.299,38,57,417.436,3.7,6,0.466,0.59,1.0,0.06256425193612501,0.11218388047426496,0.46315365636351175,0.48129840312521416,0.279800047974779
EOS-2-37923,COc1cncc(-c2cc(-c3nnc4cncc(OCc5ccn(C)n5)n34)nn2C)c1,KXQOOEJDCFVAQL-UHFFFAOYSA-N,2,1,0.388,92,694,417.433,1.908,5,0.412,0.69,1.0,0.07387259269412652,0.057535467068741006,0.11343465149749846,0.05118737577959016,0.07400752175998904
EOS-2-37924,COc1nc(-c2nnc3cncc(OCc4ccn(C)n4)n23)ccc1-c1nccn1C,FVPXMNLULLXYFV-UHFFFAOYSA-N,2,1,0.387,92,551,417.433,1.908,5,0.412,0.66,1.0,0.12802412446028374,0.07285312864094305,0.05060482489205675,0.015934480159002125,0.06685413953807141
EOS-2-37925,COc1cc(-c2nnc3cncc(OCc4ncn(C)n4)n23)ccc1-c1ccn(C)n1,AZJXAWOLYCPKAN-UHFFFAOYSA-N,2,1,0.417,36,638,417.433,1.908,5,0.412,0.63,1.0,0.22758892467959702,0.17874888629977384,0.10021588650538003,0.04203790007538894,0.13714789939003497
EOS-2-37926,COc1cc(-c2nnc3cncc(OCc4ccn(C)n4)n23)ccc1-c1cnnn1C,VFVLBHPZQFUOBR-UHFFFAOYSA-N,2,1,0.462,36,638,417.433,1.908,5,0.412,0.66,1.0,0.16638681378932219,0.13559728599821808,0.15477006373792063,0.06935782331574258,0.13152799671030085
EOS-2-37927,COc1cc(-c2nnc3cncc(OCc4ncnn4C)n23)ccc1-c1ccn(C)n1,SUZCNTNVQUWLBO-UHFFFAOYSA-N,2,1,0.417,36,638,417.433,1.908,5,0.412,0.69,1.0,0.30803234870810775,0.18280960866287438,0.09295113426084572,0.0395192241792886,0.15582807895277911
EOS-2-37928,Cn1nc(-c2ccc(-c3nnc4cncc(-c5cnn(CCO)c5)n34)cc2)c(=O)n1C,ZKDOFFCYQRNCAB-UHFFFAOYSA-N,2,1,0.305,61,336,417.433,0.746,5,0.448,0.63,1.0,0.09182030018504557,0.04254334863957234,0.023661846343636488,0.023464807072853127,0.04537257556027688
EOS-2-37929,COc1cc(-c2nnc3cncc(OCc4ncnn4C)n23)ccc1-c1cncn1C,LHVDHAFVUBAWIL-UHFFFAOYSA-N,2,1,0.417,36,638,417.433,1.908,5,0.412,0.66,1.0,0.31082516619834144,0.15835103831128777,0.1107360701802481,0.05244671372764033,0.1580897471043794
EOS-2-37930,CCc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)cn2)no1,JODRGPRITJYGPX-UHFFFAOYSA-N,2,1,0.495,65,986,417.433,2.154,5,0.392,0.73,1.0,0.2731820985539031,0.2458707422383661,0.01990953327393599,0.012284970187101637,0.1378118360633267
EOS-2-37931,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cn2)c1,WSWHWSGUUMZDAI-UHFFFAOYSA-N,2,1,0.328,69,57,417.432,4.57,6,0.415,0.81,1.0,0.14153416489616888,0.14293057364128572,0.610376259337948,0.5821910766911109,0.3692580186416284
EOS-2-37932,c1ccc(-c2nnc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)o2)cc1,GGAUTHRDBWPWFA-UHFFFAOYSA-N,2,1,0.338,30,220,417.432,4.57,6,0.415,0.75,0.998,0.07197930230964293,0.1182663970940991,0.2941282297306559,0.39359022685216916,0.21949103899664177
EOS-2-37933,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccon5)cc4)n23)nc1,LQUZUTLSQOPLAN-UHFFFAOYSA-N,2,1,0.304,69,484,417.432,4.57,6,0.415,0.68,1.0,0.10651257624563087,0.10239188540881365,0.48762936056473166,0.5200037694469193,0.30413439791652386
EOS-2-37934,c1cc(-c2nnco2)cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1,MXFXHMOBSLGVRS-UHFFFAOYSA-N,2,1,0.333,69,38,417.432,4.57,6,0.415,0.73,1.0,0.18321225412925776,0.15051230210403674,0.6683486395723391,0.6735230621616065,0.41889906449181
EOS-2-37935,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)ccn1,LJWOYPSJBIWLAI-UHFFFAOYSA-N,2,1,0.353,69,894,417.432,4.57,6,0.415,0.75,1.0,0.18595367007059146,0.170027756836406,0.682227057775341,0.682638270166541,0.4302116887122199
EOS-2-37936,c1cc(-c2cnco2)cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,AJQLQMQTOQVQPF-UHFFFAOYSA-N,2,1,0.319,69,645,417.432,4.57,6,0.415,0.79,1.0,0.1691025289562059,0.10240045233363032,0.7291995065451305,0.7187050236447124,0.42985187786991974
EOS-2-37937,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnco6)nc5)n34)cc2)cc1,JKMYDBFTBIGTRI-UHFFFAOYSA-N,2,1,0.391,93,987,417.432,4.57,6,0.415,0.82,1.0,0.25214173120416694,0.1505208690288534,0.5560019875265575,0.5914176547186621,0.38752056061956
EOS-2-37938,c1coc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nn2)c1,MQJYCIGSNSSQNF-UHFFFAOYSA-N,2,1,0.353,38,270,417.432,4.57,6,0.415,0.77,1.0,0.11449695017476527,0.11219244739908163,0.5818998012473443,0.6095452676307312,0.3545336166129806
EOS-2-37939,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cc2)c1,KANGTNLTPCNXDV-UHFFFAOYSA-N,2,1,0.31,42,57,417.432,4.57,6,0.415,0.75,1.0,0.12240422178054966,0.09613803029264616,0.6740713453498732,0.6588821876499212,0.38787394626824756
EOS-2-37940,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)ccn1,LCHNXAFPJSLAKU-UHFFFAOYSA-N,2,1,0.333,69,174,417.432,4.57,6,0.415,0.8,1.0,0.12512850387225002,0.1122010143238983,0.6712099924611061,0.6562178740319375,0.391189346172298
EOS-2-37941,c1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,JKGQDIFOKCLUKV-UHFFFAOYSA-N,2,1,0.382,93,203,417.432,4.57,6,0.415,0.86,1.0,0.15825680213830443,0.15052943595367008,0.38348125556850116,0.4474076485504763,0.284918785552738
EOS-2-37942,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cnco6)cn5)n34)cc2)cc1,OOMOUENZUPEVKK-UHFFFAOYSA-N,2,1,0.391,93,987,417.432,4.57,6,0.415,0.83,1.0,0.21924473990816257,0.15835960523610446,0.5492512507710232,0.5914262216434789,0.3795704543896923
EOS-2-37943,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)nc2)cc1,IDEVLURMVJIJLC-UHFFFAOYSA-N,2,1,0.307,30,737,417.432,4.57,6,0.415,0.8,1.0,0.08237098211226099,0.06910938249605922,0.532237338085121,0.5726303885957097,0.31408702282228773
EOS-2-37944,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)cn2)cc1,BIBUPEVLRCRXMW-UHFFFAOYSA-N,2,1,0.343,32,93,417.432,4.57,6,0.415,0.72,1.0,0.1582653690631211,0.11827496401891577,0.5458673154684395,0.5630611335754917,0.346367195531492
EOS-2-37945,c1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)cc1,XROGUZBXGPHGBQ-UHFFFAOYSA-N,2,1,0.4,93,203,417.432,4.57,6,0.415,0.81,1.0,0.1610067850044548,0.16600130217257214,0.45618017956274415,0.5231392639298198,0.32658188266739774
EOS-2-37946,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)nc2)cc1,RAXMSBOIZVROOY-UHFFFAOYSA-N,2,1,0.296,30,737,417.432,4.57,6,0.415,0.77,0.999,0.10411383729696388,0.10240901925844699,0.3533085463641971,0.4536015351929272,0.2533582345281338
EOS-2-37947,c1ccc(-c2oncc2-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)cc1,HXDHPYIWLYEAKJ-UHFFFAOYSA-N,2,1,0.343,41,818,417.432,4.57,6,0.415,0.74,1.0,0.08022068398327736,0.046364197107806183,0.5355613049139881,0.5882050579124117,0.31258781097937083
EOS-2-37948,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)cc1,AMVZTJIPUGXROY-UHFFFAOYSA-N,2,1,0.337,32,371,417.432,4.57,6,0.415,0.7,0.983,0.13881844972928517,0.10569015146323076,0.41953087519703924,0.45361010211774383,0.27941239462682477
EOS-2-37949,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cn2)cc1,SRMNLTFHXZSNLJ-UHFFFAOYSA-N,2,1,0.338,69,220,417.432,4.57,6,0.415,0.8,1.0,0.16368823247207182,0.13560585292303476,0.5758515523267768,0.5973888013158797,0.36813360975944076
EOS-2-37950,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cc5)n34)cc2)cn1,DBZHFEWDGVQBRD-UHFFFAOYSA-N,2,1,0.314,69,645,417.432,4.57,6,0.415,0.78,1.0,0.10412240422178055,0.12535124391748337,0.7161435131245288,0.7107891851141115,0.41410158659447605
EOS-2-37951,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1,FDZXQWWCMRLREB-UHFFFAOYSA-N,2,1,0.322,69,174,417.432,4.57,6,0.415,0.8,1.0,0.14439551778493592,0.12535981084230005,0.6546158590912207,0.6448238640257693,0.3922987629360565
EOS-2-37952,c1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cn2)c1,WSJPPSINIGTAJD-UHFFFAOYSA-N,2,1,0.319,32,983,417.432,4.57,6,0.415,0.81,1.0,0.13882701665410185,0.09910218627921322,0.585155232677678,0.5973973682406963,0.35512045096292233
EOS-2-37953,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)c1,CYDMLRHCURTJLD-UHFFFAOYSA-N,2,1,0.31,38,170,417.432,4.57,6,0.415,0.78,1.0,0.10652114317044753,0.0867058460694949,0.6683572064971558,0.6620605167569049,0.3809111781235008
EOS-2-37954,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)c1,KWNPKGSSOPAESY-UHFFFAOYSA-N,2,1,0.319,69,894,417.432,4.57,6,0.415,0.75,1.0,0.17162120485230623,0.1583681721609211,0.6683657734219725,0.6707302446713728,0.4172713487766431
EOS-2-37955,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)cn1,DOCSFHZHUKGFRR-UHFFFAOYSA-N,2,1,0.354,69,30,417.432,4.57,6,0.415,0.75,1.0,0.20263347268864368,0.14293914056610238,0.687410047289425,0.6707388115961894,0.4259303680350901
EOS-2-37956,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)nc1,QEGPVWXEQOVSFG-UHFFFAOYSA-N,2,1,0.306,69,174,417.432,4.57,6,0.415,0.79,1.0,0.15024672743472003,0.11828353094373244,0.5946131176752792,0.5882136248372284,0.36283925022274
EOS-2-37957,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)cn2)cc1,AHRTZSMYIYRTKI-UHFFFAOYSA-N,2,1,0.343,32,20,417.432,4.57,6,0.415,0.77,1.0,0.16911109588102255,0.10569871838804742,0.5691350832705092,0.5821996436159276,0.3565361352888767
EOS-2-37958,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)nc1,WKQZEWURKHOLEQ-UHFFFAOYSA-N,2,1,0.314,38,983,417.432,4.57,6,0.415,0.78,1.0,0.17448255774107327,0.09614659721746283,0.5290247412788706,0.5301898430539373,0.332460934822836
EOS-2-37959,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1,UXWFCQIITNBBJY-UHFFFAOYSA-N,2,1,0.333,69,152,417.432,4.57,6,0.415,0.69,1.0,0.1502552943595367,0.11220958124871497,0.5011651017750668,0.5436827496401891,0.3268281817558769
EOS-2-37960,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)cc1,ODUSLUXFXGWKSB-UHFFFAOYSA-N,2,1,0.362,93,641,417.432,4.57,6,0.415,0.86,1.0,0.14704269755328628,0.15053800287848673,0.40160030155575355,0.46302515249126175,0.29055153861969707
EOS-2-37961,c1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)cc1,VKRCQCBVRRQOMK-UHFFFAOYSA-N,2,1,0.382,93,186,417.432,4.57,6,0.415,0.75,1.0,0.14154273182098553,0.08339044616544446,0.4876379274895484,0.5500394078541567,0.31565262833253377
EOS-2-37962,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,ZCCMNIYVNDOCTB-UHFFFAOYSA-N,2,1,0.319,69,885,417.432,4.57,6,0.415,0.8,1.0,0.14705126447810293,0.061373449386608186,0.45951271331642796,0.5231478308546365,0.2977713145089439
EOS-2-37963,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)nc5)n34)cn2)cc1,CJOUYVMMOGLGOG-UHFFFAOYSA-N,2,1,0.348,30,20,417.432,4.57,6,0.415,0.81,0.999,0.14155129874580222,0.1057072853128641,0.5727074909190597,0.5790298814337606,0.34974898910287167
EOS-2-37964,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnoc5)cn4)n23)cc1,PPCNHRLZAJGKQE-UHFFFAOYSA-N,2,1,0.333,32,371,417.432,4.57,6,0.415,0.69,1.0,0.13099684737166747,0.09287403193749572,0.5255979713522034,0.5663336988554588,0.3289506373792064
EOS-2-37965,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)cn2)cc1,MDTQAHCOSUIVHF-UHFFFAOYSA-N,2,1,0.343,32,93,417.432,4.57,6,0.415,0.79,1.0,0.12241278870536632,0.10241758618326366,0.5390908779384552,0.5663422657802755,0.33256587965184015
EOS-2-37966,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cc2)cc1,JHLREOAIILWMCM-UHFFFAOYSA-N,2,1,0.379,93,651,417.432,4.57,6,0.415,0.8,1.0,0.22182338427797957,0.17464532931258994,0.5727160578438764,0.6128692344595984,0.39551350147351105
EOS-2-37967,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cc1,CTGCHPWHPBAWNG-UHFFFAOYSA-N,2,1,0.368,69,220,417.432,4.57,6,0.415,0.79,1.0,0.18596223699540812,0.15054656980330341,0.5915290247412789,0.6003272565279967,0.3820912720169968
EOS-2-37968,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccon6)nc5)n34)nc2)cc1,TZOYQNUWMKUOGE-UHFFFAOYSA-N,2,1,0.359,32,93,417.432,4.57,6,0.415,0.74,1.0,0.1528939072030704,0.10916832293879788,0.5322459050099376,0.5695462956617092,0.34096360770337875
EOS-2-37969,c1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)c1,MLBFFMKWKLHMPS-UHFFFAOYSA-N,2,1,0.31,38,787,417.432,4.57,6,0.415,0.71,1.0,0.10893701596874786,0.08339901309026113,0.6012781851826469,0.6064440408470976,0.3500145637721883
EOS-2-37970,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cn5)n34)cc2)nc1,BWSPDPRPNBRYEC-UHFFFAOYSA-N,2,1,0.348,32,479,417.432,4.57,6,0.415,0.74,1.0,0.13100541429648413,0.13561441984785141,0.5322544719347543,0.5231563977794531,0.3305076759646357
EOS-2-37971,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)cc2)nc1,HWLFHFMXCVIGDW-UHFFFAOYSA-N,2,1,0.343,32,479,417.432,4.57,6,0.415,0.77,1.0,0.0844698786923446,0.1182920978685491,0.5758601192515934,0.5790384483585772,0.3394151360427661
EOS-2-37972,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)cc2)ccn1,UJVFPEALJMFZBV-UHFFFAOYSA-N,2,1,0.348,32,818,417.432,4.57,6,0.415,0.72,1.0,0.1310139812213008,0.1287266122952505,0.6519087108491536,0.6506065382770201,0.3905639606606812
EOS-2-37973,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6nnco6)c5)n34)cc2)cc1,WWIWKSKCGSHPLE-UHFFFAOYSA-N,2,1,0.362,93,651,417.432,4.57,6,0.415,0.71,1.0,0.23854602152011514,0.13937529984236857,0.5758686861764101,0.6215218285244328,0.3938279590158317
EOS-2-37974,c1ccc(-c2ccc(-c3nnc4cncc(-c5noc(-c6ccccc6)n5)n34)nc2)cc1,LWGYEPAESDPHNA-UHFFFAOYSA-N,2,1,0.296,30,737,417.432,4.57,6,0.415,0.75,1.0,0.0941847714344459,0.10917688986361455,0.33089747104379413,0.434780001370708,0.24225978342814064
EOS-2-37975,COc1cc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)ccc1-c1ccon1,ZKAZGRFBESRJTB-UHFFFAOYSA-N,2,1,0.523,15,777,417.429,2.81,5,0.398,0.75,1.0,0.3636231238434651,0.18715303954492496,0.29795764512370637,0.17289767664998973,0.25540787129052156
EOS-2-37976,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nc6ccccc6s5)cc4)n23)cc1,YKQBPEHYKMGADP-UHFFFAOYSA-N,2,1,0.295,21,993,482.572,6.797,7,0.276,0.67,1.0,0.08022925090809403,0.19595983825645946,0.6222842848331163,0.6940408470975259,0.3981285552737989
EOS-2-37977,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc7ccccc7s6)cc5)n34)cn2)c1,ZJSKFRYWIAOHGO-UHFFFAOYSA-N,2,1,0.303,69,695,482.572,6.797,7,0.276,0.75,1.0,0.14705983140291962,0.28700911520800493,0.790230278939072,0.8239496950174765,0.5120622301418682
EOS-2-37978,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(C#N)cs5)n34)cn2)no1,QGLZBIIXWMVXBT-UHFFFAOYSA-N,2,1,0.451,7,464,417.414,2.452,5,0.418,0.72,1.0,0.42206668494277294,0.5074703584401343,0.04705811801795627,0.03952779110410527,0.2540307381262422
EOS-2-37979,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)nn2)cn1,MGGWAWMABYQODG-UHFFFAOYSA-N,2,1,0.457,53,44,417.408,2.137,5,0.413,0.65,0.982,0.44739908162565967,0.3707251045164828,0.20078301692824344,0.1893718730724419,0.3020697690357069
EOS-2-37980,Cn1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)n1,BIAASZVEBLATTF-UHFFFAOYSA-N,2,1,0.457,53,466,417.408,2.137,5,0.413,0.65,1.0,0.45234219724487695,0.32257898704680965,0.2795644575423206,0.25325543143033374,0.3269352683160852
EOS-2-37981,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cn1,CODDJIQZBNBQPI-UHFFFAOYSA-N,2,1,0.506,65,981,417.408,2.137,5,0.387,0.66,1.0,0.6365910492769515,0.587374066205195,0.19375813857857582,0.1838719073401412,0.40039879035021586
EOS-2-37982,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1,XNFONXXPOAKSGG-UHFFFAOYSA-N,2,1,0.583,15,447,417.408,2.137,5,0.387,0.76,1.0,0.7308186553354807,0.6345863888698513,0.14875608251661984,0.16734630936878897,0.42037685902268523
EOS-2-37983,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1cnccn1,PDRVPCKYTQETTB-UHFFFAOYSA-N,2,1,0.417,31,569,417.408,2.137,5,0.387,0.6,1.0,0.4038534027825372,0.2662857240764855,0.12492289767664999,0.12831539990405044,0.23084435610993076
EOS-2-37984,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nn2)nn1C,APJDHIBRRZWCLE-UHFFFAOYSA-N,2,1,0.549,36,404,417.408,2.403,5,0.429,0.63,0.998,0.7153553560413953,0.6391182920978685,0.0835874854362278,0.09936776094852992,0.3843572236310054
EOS-2-37985,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cnccn1,BVPHHDLQAGLAGI-UHFFFAOYSA-N,2,1,0.447,31,569,417.408,2.137,5,0.413,0.57,1.0,0.4357309300253581,0.2923891439928723,0.1427249674456857,0.15404187512850387,0.25622172914810504
EOS-2-37986,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1F,ZRXDCDUYCBSTQF-UHFFFAOYSA-N,2,1,0.602,37,447,417.408,2.137,5,0.413,0.73,1.0,0.7216606127064629,0.6686484819409225,0.19714207388115962,0.2299019943800973,0.45433829072716053
EOS-2-37987,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1,WOQXQFVEFZDVQJ-UHFFFAOYSA-N,2,1,0.602,15,447,417.408,2.137,5,0.413,0.75,1.0,0.6761702419299568,0.634594955794668,0.13988931533136864,0.16735487629360565,0.40450234733739976
EOS-2-37988,Cc1n[nH]c(-c2cccc(-c3nnc4cncc(OCCc5cnncc5F)n34)c2)n1,YCKUAJWVAAMRSV-UHFFFAOYSA-N,2,1,0.544,15,438,417.408,2.435,5,0.447,0.56,1.0,0.7153639229662121,0.6440785415667192,0.2645723391131519,0.2471557809608663,0.4677926461517374
EOS-2-37989,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)[nH]1,BFTPRIAEHSOSSZ-UHFFFAOYSA-N,2,1,0.505,65,981,417.408,2.435,5,0.418,0.57,0.999,0.6573315742581043,0.6109074086765814,0.22172914810499622,0.197467617024193,0.4218589370159687
EOS-2-37990,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)n1,NFTIGBJESRFXKI-UHFFFAOYSA-N,2,1,0.6,36,73,417.408,2.137,5,0.413,0.74,1.0,0.5942533068329793,0.5968319512027962,0.1644935234048386,0.19747618394900968,0.38826374134740593
EOS-2-37991,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)nn2C)cn1,FJZIFLAGUFGOIP-UHFFFAOYSA-N,2,1,0.435,7,62,417.408,2.403,5,0.429,0.57,1.0,0.38903262284970186,0.2662942910013022,0.2042526214789939,0.17840620930710713,0.25949643615927626
EOS-2-37992,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ccn2)nn1,OPRFZMXLVJWUJC-UHFFFAOYSA-N,2,1,0.5,58,819,417.408,2.137,5,0.387,0.66,1.0,0.4172863408950723,0.4226663696799397,0.1706617092728394,0.1647590980741553,0.2938433794805017
EOS-2-37993,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)[nH]n2)cn1,GEGAOKLNEKGILD-UHFFFAOYSA-N,2,1,0.385,7,963,417.408,2.701,5,0.463,0.6,1.0,0.45462956617092726,0.35643547392228087,0.3014700842985402,0.22089815639777946,0.33335832019738193
EOS-2-37994,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nc2F)nn1,XXRZYGQRDSDIMT-UHFFFAOYSA-N,2,1,0.451,31,773,417.408,2.137,5,0.387,0.61,1.0,0.44994345829621,0.37073367144129943,0.18375197039270783,0.17841477623192378,0.29571096909053524
EOS-2-37995,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)cn1,PADXHNOQXDJWDL-UHFFFAOYSA-N,2,1,0.5,65,45,417.408,2.137,5,0.413,0.65,0.999,0.5883335617846618,0.5488314714550065,0.19715064080597627,0.19221609211157564,0.38163294153930505
EOS-2-37996,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cncnc1,LMUNJFRBHKTATM-UHFFFAOYSA-N,2,1,0.453,31,235,417.408,2.137,5,0.413,0.68,0.995,0.3934103214310191,0.2816119525735042,0.20079158385306012,0.20645432115687753,0.2705670447536152
EOS-2-37997,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ncn2)c1,MORWFOYSHJCQSC-UHFFFAOYSA-N,2,1,0.426,31,194,417.408,2.137,5,0.413,0.56,0.394,0.5883421287094784,0.4317730107600576,0.24314646014666574,0.22090672332259612,0.37104208073469946
EOS-2-37998,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1,SWXUCPOETNSZML-UHFFFAOYSA-N,2,1,0.595,15,447,417.408,2.137,5,0.387,0.73,1.0,0.7748783496676033,0.6783376739085738,0.21792543348639573,0.22366527311356316,0.473701682544034
EOS-2-37999,Cn1nc(-c2ccc(F)cn2)cc1-c1nnc2cncc(-c3cnn(C4COC4)c3)n12,KHASFRSGRZVTGW-UHFFFAOYSA-N,2,1,0.255,50,974,417.408,2.161,6,0.442,0.66,1.0,0.10158659447604688,0.13938386676718525,0.11660441367966555,0.17842334315674047,0.13399955451990953
EOS-2-38000,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1,QSUIFQKPEOOMQB-UHFFFAOYSA-N,2,1,0.575,15,447,417.408,2.137,5,0.413,0.71,1.0,0.7604345144267014,0.6060756630799808,0.21139743677609485,0.2327033787951477,0.4526527482694812
EOS-2-38001,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2F)nn1,WFJKTQMEUVCEBC-UHFFFAOYSA-N,2,1,0.565,37,361,417.408,2.137,5,0.413,0.67,1.0,0.657340141182921,0.5581265848810911,0.3014786512233569,0.2859468165307381,0.4507230484545268
EOS-2-38002,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)nn1,OGHXICWKBAFAQM-UHFFFAOYSA-N,2,1,0.469,58,954,417.408,2.137,5,0.387,0.66,1.0,0.45905009937632785,0.48888013158796517,0.16761188403810567,0.1595161400863546,0.3187645637721883
EOS-2-38003,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)n1,ZQTAHFXYBLTFDO-UHFFFAOYSA-N,2,1,0.479,58,954,417.408,2.137,5,0.387,0.68,1.0,0.5419093962031389,0.5717137276403262,0.12762147899390036,0.1218302378178329,0.3407687101637996
EOS-2-38004,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)c(F)c4)n23)nc1,XBPHQXIFKVGUPL-UHFFFAOYSA-N,2,1,0.488,51,79,417.408,2.403,5,0.429,0.63,1.0,0.4810242615310808,0.47116373106709614,0.23595881022548146,0.2064628880816942,0.3486524227263381
EOS-2-38005,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1cncnc1,NWPWQQBIKSJIEV-UHFFFAOYSA-N,2,1,0.473,65,569,417.408,2.137,5,0.413,0.71,1.0,0.39765094921526967,0.2870176821328216,0.2683503529573025,0.25645089438695085,0.30236746967308614
EOS-2-38006,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)nc1F,RZSYIUIVJAFUCS-UHFFFAOYSA-N,2,1,0.451,31,773,417.408,2.137,5,0.387,0.6,1.0,0.45905866630114456,0.3897950791583853,0.1937667055033925,0.1893804399972586,0.30800022274004524
EOS-2-38007,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)n1,GHKVWEJCUYGDKW-UHFFFAOYSA-N,2,1,0.595,15,447,417.408,2.137,5,0.387,0.7,1.0,0.7691899115893359,0.6391268590226852,0.2179340004112124,0.20346446439586047,0.4574288088547735
EOS-2-38008,Cn1nc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1ccc(F)cn1,VNQXTLVYQLXXEM-UHFFFAOYSA-N,2,1,0.4,31,569,417.408,2.137,5,0.413,0.65,1.0,0.40829106983757113,0.292397710917689,0.08359605236104448,0.09525563703652937,0.21988511753820852
EOS-2-38009,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1cnccn1,OOZSOZZJWHZXKZ-UHFFFAOYSA-N,2,1,0.449,31,569,417.408,2.137,5,0.387,0.56,1.0,0.4499520252210267,0.2870262490576383,0.1837605373175245,0.17547632101980673,0.2740537831539991
EOS-2-38010,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccn1,LKSULXVOFUEJJK-UHFFFAOYSA-N,2,1,0.5,75,359,417.408,2.137,5,0.413,0.64,0.999,0.4958279076142828,0.39940716880268656,0.11937153039544925,0.12621650332396683,0.28520577753409637
EOS-2-38011,Cn1ncnc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,FKNZZVOKZPTFHI-UHFFFAOYSA-N,2,1,0.495,65,349,417.408,2.137,5,0.387,0.63,1.0,0.5159687478582689,0.40421321362483725,0.24315502707148243,0.2209152902474128,0.3460630697005003
EOS-2-38012,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)c1,BMFJXTAMSMYGBP-UHFFFAOYSA-N,2,1,0.448,87,227,417.408,2.137,5,0.387,0.64,1.0,0.46126036597902814,0.3804314303337674,0.2217377150298129,0.212579672400795,0.31900229593585083
EOS-2-38013,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)ccc2F)cn1,HCLUBVWQHHKKHH-UHFFFAOYSA-N,2,1,0.523,20,847,417.408,2.137,5,0.413,0.74,1.0,0.6910766911109588,0.5873826331300116,0.3124271811390583,0.3107223631005414,0.4754022171201425
EOS-2-38014,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cn1,DYFDSQYRIYNCNL-UHFFFAOYSA-N,2,1,0.464,58,954,417.408,2.137,5,0.387,0.66,1.0,0.4860530463984648,0.48020183674868067,0.1706702761976561,0.16476766499897197,0.3254232060859434
EOS-2-38016,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cn1,VCYASGINQXUDAW-UHFFFAOYSA-N,2,1,0.495,87,304,417.408,2.137,5,0.413,0.65,0.996,0.5085497909670345,0.5116852854499349,0.19377527242820916,0.1946747995339593,0.3521712870947844
EOS-2-38017,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5cnnn5C)c4)n23)c1F,RYTSMDXLFIOGCV-UHFFFAOYSA-N,2,1,0.43,92,36,417.408,2.403,5,0.429,0.59,1.0,0.41067267493660475,0.36596189431841547,0.3533171132890138,0.2800870399561373,0.35250968062504284
EOS-2-38018,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(F)n5)nn4C)n23)cn1,XNVMGWDDPOWADB-UHFFFAOYSA-N,2,1,0.457,36,185,417.408,2.403,5,0.401,0.7,1.0,0.4474076485504763,0.5256236721266534,0.06600815571242546,0.06759303680350902,0.276658128298266
EOS-2-38019,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1cncnc1,GOQAUPVVADVTHA-UHFFFAOYSA-N,2,1,0.438,31,235,417.408,2.137,5,0.413,0.69,0.996,0.3454098416832294,0.27661743540538686,0.16450209032965527,0.17290624357480638,0.2398589027482695
EOS-2-38020,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1cncnc1,SFQAJEQUTWEHCQ-UHFFFAOYSA-N,2,1,0.423,31,235,417.408,2.137,5,0.387,0.67,1.0,0.3682663970940991,0.2509337948050168,0.17735247755465697,0.17291481049962307,0.242366869988349
EOS-2-38021,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)n1,RSMQUNPZWCMHJW-UHFFFAOYSA-N,2,1,0.5,87,304,417.408,2.137,5,0.413,0.66,0.999,0.5546912480296073,0.5770509218011103,0.1487646494414365,0.14398430539373586,0.35612278116647245
EOS-2-38022,Cn1cc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)nn5)c4)n23)cn1,FIUWNBJQIQNAGX-UHFFFAOYSA-N,2,1,0.458,92,142,417.408,2.137,5,0.413,0.61,1.0,0.44996059214584333,0.42267493660475636,0.26458090603796863,0.229910561304914,0.34178174902337055
EOS-2-38023,Cc1cnc(-c2nnc3cncc(OCc4cccc(-c5nnn(C)n5)c4)n23)cc1F,IJOWGHYNPJLTPB-UHFFFAOYSA-N,2,1,0.446,36,258,417.408,2.403,5,0.429,0.65,1.0,0.4787882941539305,0.3804399972585841,0.23247207182509766,0.2154324583647454,0.3267832054005894
EOS-2-38024,CCn1nc(-c2ncccn2)nc1COc1cncc2nnc(-c3ccc(F)cc3)n12,FPKZAGNWJVXTDX-UHFFFAOYSA-N,2,1,0.556,36,446,417.408,2.578,5,0.415,0.68,1.0,0.5469638818449729,0.5211945719964362,0.023670413268453157,0.047280858063189636,0.28477743129326294
EOS-2-38025,Cn1cncc1CCOc1cncc2nnc(-c3cncc(-c4nccc(F)n4)c3)n12,JBQGNRJJXLZZTG-UHFFFAOYSA-N,2,1,0.433,65,349,417.408,2.137,5,0.387,0.56,1.0,0.557329860873141,0.4270526351860736,0.1903056678774587,0.16221472140360496,0.33422572133506956
EOS-2-38026,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cn2)n(C)n1,MFZBNXFWENOFES-UHFFFAOYSA-N,2,1,0.444,55,45,417.408,2.403,5,0.401,0.71,1.0,0.49583647453909946,0.4756527996710301,0.15195154547323692,0.13033719416078404,0.31344450346103764
EOS-2-38027,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cnccc5F)n34)ncn2)cn1,IVAXVIVXCNGPMA-UHFFFAOYSA-N,2,1,0.371,92,395,417.408,2.578,5,0.415,0.68,1.0,0.3207884997601261,0.23043314371873072,0.29057295593173876,0.24716434788568295,0.2722397368240696
EOS-2-38028,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)nn4C)n23)cn1,QQNVQTJPOBIIKT-UHFFFAOYSA-N,2,1,0.446,92,185,417.408,2.403,5,0.401,0.63,1.0,0.4106812418614214,0.440374203275992,0.20426118840381058,0.14893598793776985,0.3010631553697485
EOS-2-38029,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)nn2)cn1,NXGGHSDJIJSARR-UHFFFAOYSA-N,2,1,0.419,53,44,417.408,2.578,5,0.388,0.67,1.0,0.27856212733877045,0.26630285792611885,0.17067884312247275,0.15161743540538689,0.2167903159481872
EOS-2-38030,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(CF)n5)n34)cn2)nn1,WWVAFEBPOHOHSK-UHFFFAOYSA-N,2,1,0.462,92,617,417.408,2.425,5,0.414,0.63,0.999,0.2979319443492564,0.30230964293057366,0.17068741004728943,0.13467205811801797,0.2264002638612844
EOS-2-38031,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1F,ZVYTYOUCFAOPFW-UHFFFAOYSA-N,2,1,0.617,37,447,417.408,2.137,5,0.413,0.76,1.0,0.7185679528476459,0.6542731820985539,0.22174628195462956,0.24717291481049963,0.46044008292783223
EOS-2-38032,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)nn2)cn1,LCBLJJDJKFZXDN-UHFFFAOYSA-N,2,1,0.467,53,44,417.408,2.578,5,0.415,0.66,1.0,0.2358645740524981,0.2816205194983209,0.19378383935302584,0.18388047426495785,0.22378735179220066
EOS-2-38033,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nncn5C)c(F)c4)n23)nn1,BRGVIOFNZMOUAF-UHFFFAOYSA-N,2,1,0.524,36,208,417.408,2.403,5,0.429,0.65,1.0,0.5342848331163046,0.5770594887259269,0.21450723048454526,0.18938900692207525,0.37881013981221295
EOS-2-38034,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccn1,DXMLHUQLLPJKEV-UHFFFAOYSA-N,2,1,0.536,75,359,417.408,2.137,5,0.387,0.66,1.0,0.5686639024055925,0.422683503529573,0.18693886642450827,0.17292337742443972,0.3378024124460283
EOS-2-38035,Cn1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncnn5)c4)n23)cn1,ZSFYZYCZVULWOI-UHFFFAOYSA-N,2,1,0.547,37,847,417.408,2.137,5,0.413,0.65,1.0,0.6729233774244398,0.5921030087039956,0.3495819340689466,0.3292783222534439,0.4859716606127064
EOS-2-38036,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ncn2)cn1,VZZZPTQSEQHMTE-UHFFFAOYSA-N,2,1,0.435,31,194,417.408,2.137,5,0.387,0.63,1.0,0.447416215475293,0.29739222808580634,0.29413679665547254,0.24147590980741554,0.32010528750599687
EOS-2-38037,Cn1cc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(F)nc5)c4)n23)cn1,NVECGSCSPLJDFR-UHFFFAOYSA-N,2,1,0.469,92,778,417.408,2.137,5,0.387,0.54,1.0,0.4738366116098965,0.49365190871084913,0.2941453635802892,0.26541189774518537,0.38176144541155504
EOS-2-38038,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1F,RGISLXRABCNNCH-UHFFFAOYSA-N,2,1,0.565,37,361,417.408,2.137,5,0.413,0.62,1.0,0.6607155095606881,0.5626070865602083,0.312435748063875,0.3010674388321568,0.45920644575423203
EOS-2-38039,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cnn1,KMYWGHGORRBTJH-UHFFFAOYSA-N,2,1,0.443,87,510,417.408,2.137,5,0.387,0.61,1.0,0.5134243711877184,0.43178157768487424,0.13664245082585155,0.13701082859296826,0.30471480707285314
EOS-2-38040,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)[nH]c1F,BIWCSUAOWRMZSJ-UHFFFAOYSA-N,2,1,0.439,65,349,417.408,2.435,5,0.447,0.62,1.0,0.5469724487697896,0.49849222123226644,0.13989788225618532,0.12183880474264958,0.3268003392502227
EOS-2-38041,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)nn1,QAIPWGITKYZIGP-UHFFFAOYSA-N,2,1,0.5,65,904,417.408,2.137,5,0.413,0.67,1.0,0.4709152902474128,0.42269207045438967,0.3124443149886917,0.28595538345555477,0.37300176478651226
EOS-2-38042,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccncn4)n23)c(F)c1,YLUKETWHLNPIFS-UHFFFAOYSA-N,2,1,0.489,36,908,417.408,2.578,5,0.415,0.7,1.0,0.4958450414639161,0.5488400383798232,0.22883969570283053,0.2125882393256117,0.3715282537180454
EOS-2-38043,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccnn4)n23)c(F)c1,IHGPDBNKMCZBON-UHFFFAOYSA-N,2,1,0.489,37,482,417.408,2.137,5,0.413,0.69,1.0,0.5342934000411212,0.5346789116578713,0.21794256733602907,0.23271194571996437,0.3799067061887465
EOS-2-38044,Cn1cc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(F)cn5)c4)n23)cn1,YSQKDNRVVFUBCE-UHFFFAOYSA-N,2,1,0.489,92,778,417.408,2.137,5,0.413,0.55,1.0,0.5110941676375849,0.462656774724145,0.23596737715029814,0.22991912822973065,0.35990936193543965
EOS-2-38045,Cc1nnc(-c2ncnn2C)cc1COc1cncc2nnc(-c3ccccc3F)n12,ZNDSSAWKAFNYGW-UHFFFAOYSA-N,2,1,0.489,36,404,417.408,2.403,5,0.429,0.6,1.0,0.4787968610787472,0.5438797889109726,0.12238708793091632,0.14172263724213557,0.32169659379069293
EOS-2-38046,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4nnccc4F)n23)nc1,BIGRCUNYIQLNSQ-UHFFFAOYSA-N,2,1,0.356,92,643,417.408,2.578,5,0.415,0.61,0.992,0.36607326434103216,0.33168562812692753,0.21795113426084572,0.18939757384689193,0.27627690014392436
EOS-2-38047,CCn1cc(-c2cnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)nc2)cn1,LALULUSNGHOADM-UHFFFAOYSA-N,2,1,0.438,92,36,417.408,2.578,5,0.388,0.72,1.0,0.27857069426358716,0.18716160646974161,0.22884826262764718,0.1812846960455075,0.21896631485162088
EOS-2-38048,CC(F)n1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnccn4)n23)cc1,INQUQTFVNJOOPP-UHFFFAOYSA-N,2,1,0.506,36,734,417.408,2.907,5,0.415,0.63,1.0,0.5111027345624015,0.4317901446096909,0.379746076348434,0.2859639503803715,0.4021507264752245
EOS-2-38049,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1,FTNYJQFRDDJQSS-UHFFFAOYSA-N,2,1,0.622,15,447,417.408,2.137,5,0.413,0.7,1.0,0.754566170927284,0.6686570488657392,0.1706959769721061,0.19748475087382633,0.4478509869097389
EOS-2-38050,COc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4c[nH]nn4)cc3)n12,UVTHVFDCQVOJGR-UHFFFAOYSA-N,2,1,0.529,43,178,417.404,3.303,5,0.452,0.68,1.0,0.7919350969775889,0.6636882324720719,0.7009286546501268,0.597405935165513,0.6884894798163252
EOS-2-38051,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)no1,FWVKZMBGSJYZIE-UHFFFAOYSA-N,2,1,0.552,15,921,417.404,3.305,5,0.414,0.71,1.0,0.6729319443492564,0.5770680556507436,0.2905815228565554,0.27716571859365363,0.45443681036255223
EOS-2-38052,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)o1,XSORRFZAZXTUHZ-UHFFFAOYSA-N,2,1,0.439,18,840,417.404,3.305,5,0.388,0.59,1.0,0.6939808786238092,0.46266534164896167,0.4383524090192584,0.35180076759646356,0.4866998492221233
EOS-2-38053,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)o1,JXXWEEAGFXLDFH-UHFFFAOYSA-N,2,1,0.593,72,889,417.404,3.305,5,0.388,0.74,1.0,0.8935645260777192,0.8082208210540744,0.3907631416626688,0.3260828592968268,0.6046578370228224
EOS-2-38054,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)cn2)o1,JWYZNCODRLLIOI-UHFFFAOYSA-N,2,1,0.675,19,483,417.404,3.305,5,0.414,0.82,1.0,0.8216537591666095,0.7579501062298677,0.33807655404016174,0.32928688917826054,0.5617418271537249
EOS-2-38055,FCOc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc1,ZDUWXPYMWBFNIU-UHFFFAOYSA-N,2,1,0.557,1,22,417.404,3.461,5,0.432,0.67,1.0,0.5854293742718114,0.5531406346377904,0.6131862106778151,0.5097405935165513,0.5653742032759921
EOS-2-38056,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1cn[nH]c1,MWZFFJQNRUXNNT-UHFFFAOYSA-N,2,1,0.473,16,375,417.404,3.303,5,0.452,0.67,1.0,0.854987663628264,0.6686656157905558,0.7394027140017819,0.6243489137139332,0.7218512267836338
EOS-2-38057,COc1cc(F)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cn3)n12,DWOOGOODDSPTEC-UHFFFAOYSA-N,2,1,0.511,4,547,417.404,3.099,5,0.419,0.67,1.0,0.3259029538756768,0.384877664313618,0.5658196833664588,0.4536186690425605,0.43255474264957855
EOS-2-38058,COc1cccc(-n2ncnc2COc2cncc3nnc(-c4ccc(F)cc4)n23)c1,HTVILQSJETVYKN-UHFFFAOYSA-N,2,1,0.523,43,612,417.404,3.099,5,0.419,0.8,1.0,0.6453036118155027,0.5770766225755602,0.4561887464875608,0.4155386882324721,0.5235269172777739
EOS-2-38059,COc1cccc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1F,DCFOQOSTFJTNRL-UHFFFAOYSA-N,2,1,0.523,43,178,417.404,3.303,5,0.452,0.67,1.0,0.8412548831471455,0.7261839490096635,0.7394112809265986,0.6215303954492495,0.7320951271331642
EOS-2-38060,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)no1,LIQRSDSIUHNPJG-UHFFFAOYSA-N,2,1,0.571,15,921,417.404,3.305,5,0.414,0.73,1.0,0.727768830100747,0.5626156534850251,0.34175176478651226,0.3138664245082585,0.4865006682201357
EOS-2-38061,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2)o1,QKRMSPFRRZOXDH-UHFFFAOYSA-N,2,1,0.57,72,889,417.404,3.305,5,0.414,0.7,1.0,0.8595109999314646,0.7708090603796861,0.3309060379686108,0.2980604482215064,0.564821636625317
EOS-2-38062,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)no1,BUFSTOOWUZDCKQ-UHFFFAOYSA-N,2,1,0.571,35,921,417.404,3.305,5,0.414,0.76,1.0,0.6881810705229251,0.5392279487355219,0.36811219244739907,0.32929545610307726,0.48120416695223084
EOS-2-38063,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)no1,JVBTWOWFZKALHF-UHFFFAOYSA-N,2,1,0.523,15,561,417.404,3.305,5,0.388,0.71,1.0,0.6513347268864369,0.5770851895003769,0.2611284353368515,0.23867452539236517,0.4320557192790076
EOS-2-38064,CCOc1cc(F)ccc1-c1nnc2cncc(-c3ccc(-c4noc(C)n4)cn3)n12,MZWIUKLURODPKP-UHFFFAOYSA-N,2,1,0.386,82,985,417.404,3.75,5,0.426,0.75,1.0,0.5085583578918511,0.5770937564251936,0.3454955109313961,0.30107600575697346,0.43305590775135355
EOS-2-38065,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(O)n5)n34)cc2F)n1,XBRSWDUSTGSYCL-UHFFFAOYSA-N,2,1,0.523,4,554,417.404,3.011,5,0.469,0.64,1.0,0.5883506956342951,0.5116938523747515,0.5526351860736071,0.4503118360633267,0.5257478925364951
EOS-2-38066,Cn1ccc(COc2cncc3nnc(-c4ccc(Oc5ccc(F)cn5)cc4)n23)n1,TWPQJGILGSSGTC-UHFFFAOYSA-N,2,1,0.506,4,22,417.404,3.43,5,0.418,0.73,1.0,0.5009680625042835,0.5117024192995683,0.5458758823932561,0.437564251936125,0.4990276540333083
EOS-2-38067,OCc1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(F)cc5)nn4)n23)cc1,FHTOAQTXEFMVFE-UHFFFAOYSA-N,2,1,0.648,43,612,417.404,2.582,5,0.453,0.74,1.0,0.32328147488177644,0.43632204783770817,0.5946216846000959,0.5822082105407443,0.48410835446508127
EOS-2-38068,Cc1ncc(-c2ncccc2-c2nnc3cncc(OCCc4cnccc4F)n23)o1,RAXHKDYVFAXILG-UHFFFAOYSA-N,2,1,0.479,35,76,417.404,3.305,5,0.414,0.65,0.993,0.6791686656157906,0.5921115756288123,0.3417603317113289,0.3138749914330752,0.48172889109725175
EOS-2-38069,Cn1ccc(Oc2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2)n1,YOVVTRWFTDPEDO-UHFFFAOYSA-N,2,1,0.576,4,22,417.404,3.43,5,0.418,0.7,1.0,0.5035381399492838,0.5212031389212528,0.5758772531012268,0.4660749777259955,0.5166733774244398
EOS-2-38070,OCc1ccc(-c2nnc3cncc(OCc4cc(-c5ccccc5F)no4)n23)cc1,OYQFCPQOKVZSCO-UHFFFAOYSA-N,2,1,0.558,1,709,417.4,3.657,5,0.45,0.76,1.0,0.9426530052772257,0.80015934480159,0.7862980604482215,0.7504197793160168,0.8198825474607636
EOS-2-38071,COc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)on2)cc1,BGTFMRMUMSAWGD-UHFFFAOYSA-N,2,1,0.615,1,798,417.4,4.173,5,0.41,0.83,1.0,0.9588016585566445,0.8485453361661298,0.7657374408882187,0.6826468370913576,0.8139328181755877
EOS-2-38072,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5F)nc4)n23)cc1F,SRBBYVNNLLGFLU-UHFFFAOYSA-N,2,1,0.354,45,533,417.394,5.246,5,0.403,0.81,1.0,0.44742478240010963,0.7030532520046604,0.9739908162565966,0.977023507641697,0.7753730895757659
EOS-2-38073,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,DGTYLAQTHBMOCA-UHFFFAOYSA-N,2,1,0.371,30,3,417.394,5.539,5,0.387,0.87,1.0,0.4128743746144884,0.5717222945651429,0.9916900829278322,0.9860102117743814,0.7405742409704612
EOS-2-38074,Cc1ccc(F)c(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)c1,XRYSUACRMBCSMC-UHFFFAOYSA-N,2,1,0.348,45,46,417.394,5.246,5,0.377,0.8,1.0,0.3911743540538688,0.6295747378521006,0.9746933040915633,0.9778716331985471,0.7433285072990199
EOS-2-38075,COc1nc(-c2nnc3cncc(OCc4cncnc4)n23)ccc1-c1nnn(C)n1,APDFXQHDHVZTJA-UHFFFAOYSA-N,2,1,0.383,92,105,417.393,0.754,5,0.386,0.63,0.971,0.2785792611884038,0.09911075320402989,0.015137756151052019,0.005791241176067439,0.09965475292988829
EOS-2-38076,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4cnc(CO)cn4)nc3)n12,GRKYYOGNKRQZET-UHFFFAOYSA-N,2,1,0.411,92,986,417.393,0.238,5,0.404,0.62,1.0,0.34541840860804607,0.2509423617298335,0.012687615653485026,0.008669727914467823,0.15442952847645808
EOS-2-38077,COc1nc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1-c1nnco1,AFYHNGFPMPDHCI-UHFFFAOYSA-N,2,1,0.421,53,602,417.389,1.656,5,0.382,0.57,0.995,0.38677952162291823,0.11221814817353162,0.02912754437667055,0.015943047083818794,0.1360170653142348
EOS-2-38078,COc1cncc(COc2cncc3nnc(-c4ccc(-c5nnc(C)o5)nc4)n23)n1,FCMDAUIMLBKWFS-UHFFFAOYSA-N,2,1,0.404,7,617,417.389,1.922,5,0.4,0.72,1.0,0.3660818312658488,0.25095092865465013,0.04217497087245562,0.017253786580768968,0.16911537934343088
EOS-2-38079,Cc1noc(COc2cncc3nnc(-c4ccc(-c5ccc(=O)n(C)n5)nc4)n23)n1,AJTHCHFBSAJXAN-UHFFFAOYSA-N,2,1,0.381,7,617,417.389,1.217,5,0.41,0.62,0.997,0.29794051127407306,0.19596840518127612,0.02084332807895278,0.010957096840518127,0.13142733534370502
EOS-2-38080,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)nn1,NPEZALPCAMDLII-UHFFFAOYSA-N,2,1,0.375,50,243,417.383,3.346,5,0.438,0.67,0.989,0.2521502981289836,0.33169419505174425,0.5355698718388048,0.46608354465081214,0.39637447741758625
EOS-2-38081,FC(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccn5)nn4)n23)cc1,QRTAAAJBJHWIKI-UHFFFAOYSA-N,2,1,0.456,1,805,417.379,4.373,5,0.419,0.76,1.0,0.8161452265094922,0.7308957576588307,0.8091032143101912,0.7607429237201014,0.7792217805496539
EOS-2-38082,Cc1ncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cn1,NZOKVWNOJUSLQB-UHFFFAOYSA-N,2,1,0.422,13,110,417.379,4.022,5,0.436,0.75,1.0,0.6513432938112536,0.596840518127613,0.7726338153656364,0.7321465286820643,0.6882410389966418
EOS-2-38083,Fc1ccc(F)c(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)c1,PEAXJZKTMGCOBJ-UHFFFAOYSA-N,2,1,0.561,4,817,417.379,3.501,5,0.432,0.75,1.0,0.6607240764855048,0.7261925159344802,0.815142896305942,0.7986944006579398,0.7501884723459668
EOS-2-38084,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)c1F,ZBVNDTLWHSQRIQ-UHFFFAOYSA-N,2,1,0.537,24,540,417.379,3.501,5,0.432,0.66,1.0,0.7806695908436707,0.7078764306764443,0.804982523473374,0.7781166472483038,0.7679112980604481
EOS-2-38085,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnccn5)n34)c2)cc1F,VWELTIMMKLYLLU-UHFFFAOYSA-N,2,1,0.482,2,419,417.379,3.501,5,0.432,0.69,1.0,0.6483620039750532,0.707884997601261,0.8151514632307587,0.8029521622918238,0.7435876567747242
EOS-2-38086,Fc1cc(F)cc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)c1,QGNHFFRVRBIGCS-UHFFFAOYSA-N,2,1,0.726,4,817,417.379,3.501,5,0.432,0.71,1.0,0.5367692413131382,0.6109159756013981,0.8151600301555754,0.7965269686793228,0.6898430539373586
EOS-2-38087,Cn1nc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4F)n23)ccc1=O,GBRJIGXAXRZIAZ-UHFFFAOYSA-N,2,1,0.321,45,140,417.379,2.892,5,0.448,0.68,0.999,0.29531046535535604,0.3659704612432321,0.6074206702761976,0.6620690836817216,0.4826926701391268
EOS-2-38088,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c2)nc1,XIESBEQRQLGJRB-UHFFFAOYSA-N,2,1,0.517,2,422,417.379,3.501,5,0.432,0.69,1.0,0.5686724693304092,0.6060842300047975,0.7471814817353163,0.7427695154547324,0.6661769241313138
EOS-2-38089,Fc1ccc(F)c(COc2cncc3nnc(-c4cccnc4-c4cccnn4)n23)c1,KDONVDDUEZSBSW-UHFFFAOYSA-N,2,1,0.489,59,389,417.379,3.501,5,0.432,0.66,0.978,0.6791772325406072,0.7030618189294771,0.7059831402919607,0.7292337742443973,0.7043639915016107
EOS-2-38090,Fc1cccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)nc5)n4)n23)c1,LLEPGFZULGPSQN-UHFFFAOYSA-N,2,1,0.517,97,401,417.379,3.501,5,0.404,0.8,1.0,0.5854379411966281,0.6542817490233706,0.7109947913097114,0.7214550065108628,0.6680423720101432
EOS-2-38091,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5F)cn4)n23)nn1,OTMFELSPNHKWDU-UHFFFAOYSA-N,2,1,0.483,19,691,417.379,3.501,5,0.432,0.68,1.0,0.6223785210060997,0.6109245425262148,0.6794513741347405,0.7134877664313618,0.6565605510246042
EOS-2-38092,Fc1ccc(-c2cccnc2-c2nnc3cncc(OCc4cc(F)ccn4)n23)nc1,UPBIXWHCJABMGB-UHFFFAOYSA-N,2,1,0.5,46,267,417.379,3.501,5,0.432,0.75,0.996,0.536777808237955,0.5717308614899596,0.6131947776026317,0.6419111095881023,0.590903639229662
EOS-2-38093,Fc1cc(-c2cnc(COc3cncc4nnc(-c5cccnc5)n34)cc2F)ccn1,QXALFKXHAFLVFT-UHFFFAOYSA-N,2,1,0.536,2,390,417.379,3.501,5,0.404,0.64,1.0,0.6196713727640326,0.6832122541292578,0.7902388458638887,0.7660629840312522,0.7147963641971079
EOS-2-38094,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)cn1,HVURHOXDUJKQOB-UHFFFAOYSA-N,2,1,0.518,72,613,417.379,3.501,5,0.404,0.68,1.0,0.7780309780001371,0.6440871084915358,0.7609742306901515,0.7292423411692139,0.7280836645877595
EOS-2-38095,Fc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnc5)n4)n23)c(F)c1,JVJVZYZHWKXTJA-UHFFFAOYSA-N,2,1,0.554,73,539,417.379,3.501,5,0.432,0.73,1.0,0.7721369337262696,0.844981495442396,0.6605099033650881,0.6677660886848057,0.7363486053046397
EOS-2-38096,Fc1ccc(-c2nnc3cncc(OCc4cnccn4)n23)c(-c2ccccc2F)n1,XLDOELKDOBBOOV-UHFFFAOYSA-N,2,1,0.466,97,401,417.379,3.501,5,0.404,0.7,1.0,0.7458107737646494,0.6979730655883764,0.6463145089438695,0.6648276334726887,0.6887314954423961
EOS-2-38097,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cccnc5)n4)n23)cc1,JFOKSRBJEJERME-UHFFFAOYSA-N,2,1,0.556,97,335,417.379,3.501,5,0.432,0.76,1.0,0.9066804879720376,0.9055239531217874,0.6012867521074635,0.6331043108765677,0.761648876019464
EOS-2-38098,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c(F)c1,KPAGLWCJQARIAN-UHFFFAOYSA-N,2,1,0.517,2,422,417.379,3.501,5,0.432,0.66,1.0,0.6083544650812145,0.6060927969296142,0.6874186142142417,0.685551024604208,0.6468542252073195
EOS-2-38099,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)nc1,KXBHKGZMSZLXRP-UHFFFAOYSA-N,2,1,0.519,55,109,417.379,3.501,5,0.432,0.73,1.0,0.8640343362346652,0.7708176273045028,0.7394198478514152,0.7266379960249468,0.7752274518538824
EOS-2-38100,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc(F)cnn5)cc4)n23)nc1,ARNNYWPYARQPCL-UHFFFAOYSA-N,2,1,0.58,4,22,417.379,3.501,5,0.432,0.58,1.0,0.7247961071893633,0.6979816325131931,0.7494174491124665,0.742778082379549,0.728743317798643
EOS-2-38101,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)cc1F,DDZMUFSSJGLVQH-UHFFFAOYSA-N,2,1,0.588,4,817,417.379,3.501,5,0.432,0.7,1.0,0.8136865190871085,0.827573504214927,0.8445017476526626,0.8161794942087588,0.8254853162908643
EOS-2-38102,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c2)cn1,COYYSHIEJGMRNU-UHFFFAOYSA-N,2,1,0.42,46,157,417.379,3.501,5,0.404,0.65,1.0,0.6939894455486258,0.592120142553629,0.7965869371530395,0.7660715509560688,0.7121920190528408
EOS-2-38103,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)nn5)c4)n23)cc1,RMVMSBMQPXHYQT-UHFFFAOYSA-N,2,1,0.566,59,109,417.379,3.501,5,0.432,0.73,1.0,0.7308272222602974,0.6636967993968885,0.7840449592214379,0.7805582208210541,0.7397818004249195
EOS-2-38104,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)n5)n34)c2)nc1,NSEALDXHAHXMLD-UHFFFAOYSA-N,2,1,0.451,46,267,417.379,3.501,5,0.404,0.72,1.0,0.5392536495099719,0.4668374340346789,0.6656928928791721,0.6620776506065382,0.5834654067575903
EOS-2-38105,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1F,JHDURUYWKSHYNJ-UHFFFAOYSA-N,2,1,0.494,46,119,417.379,3.501,5,0.432,0.74,1.0,0.5997875402645466,0.6061013638544308,0.7562452881913508,0.7401052018367487,0.6755598485367692
EOS-2-38106,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnc5)n4)n23)cc1F,CDLSWNZAQPRVCR-UHFFFAOYSA-N,2,1,0.512,59,756,417.379,3.501,5,0.432,0.76,1.0,0.8970598314029196,0.8984476732232198,0.6983928449043931,0.6967051607155096,0.7976513775615105
EOS-2-38107,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)nc1,ANLPKPGULJLQSW-UHFFFAOYSA-N,2,1,0.5,46,267,417.379,3.501,5,0.432,0.71,1.0,0.5134329381125351,0.4888886985127818,0.6930213830443424,0.6911195257350421,0.5966156363511753
EOS-2-38108,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cc1F,BWFGLFUQSRETNC-UHFFFAOYSA-N,2,1,0.603,54,691,417.379,3.501,5,0.432,0.79,1.0,0.8216623260914262,0.7030703858542937,0.7657460078130355,0.7709546981015695,0.7653583544650813
EOS-2-38109,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(F)c5)nn4)n23)cc1,LSJDUQCIBZJHCP-UHFFFAOYSA-N,2,1,0.584,34,929,417.379,3.501,5,0.432,0.79,1.0,0.7428123500788157,0.8829929408539511,0.6337896648619011,0.7023336303200604,0.7404821465286822
EOS-2-38110,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)c1,GTJRJZLOYBWOMN-UHFFFAOYSA-N,2,1,0.566,72,22,417.379,3.501,5,0.432,0.68,1.0,0.7121770269344116,0.712553971626345,0.7319837571105476,0.7187135905695292,0.7188570865602084
EOS-2-38111,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nc1F,XKJGFQAEWSTUBI-UHFFFAOYSA-N,2,1,0.529,72,22,417.379,3.501,5,0.404,0.75,1.0,0.8188695086011926,0.7791875128503872,0.7494260160372832,0.7160321431019121,0.7658787951476937
EOS-2-38112,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c(F)c1,OLYPCAOSZLCOIM-UHFFFAOYSA-N,2,1,0.46,54,691,417.379,3.501,5,0.432,0.78,1.0,0.7545747378521006,0.6440956754163526,0.7447056404632993,0.7633472688643684,0.7266808306490303
EOS-2-38113,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2)nn1,WWIGKRXVCYEUJH-UHFFFAOYSA-N,2,1,0.524,72,613,417.379,3.501,5,0.404,0.69,1.0,0.7806781577684874,0.7030789527791104,0.7034815982454938,0.6795627441573573,0.7167003632376122
EOS-2-38114,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)ccn2)cn1,SULXETTXWAMHES-UHFFFAOYSA-N,2,1,0.62,13,110,417.379,4.022,5,0.436,0.68,1.0,0.8161537934343088,0.6882153382221917,0.7632187649921184,0.7292509080940306,0.7492097011856623
EOS-2-38115,Fc1cncc(F)c1-c1ccc(-c2nnc3cncc(OCc4ccncc4)n23)cn1,FLDXJURTQYHCNY-UHFFFAOYSA-N,2,1,0.506,2,879,417.379,3.501,5,0.432,0.76,1.0,0.8316342265780275,0.7836508806798711,0.7840535261462546,0.7554828318826674,0.7887053663217052
EOS-2-38116,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)nc1,IRPVWYNOUAMUML-UHFFFAOYSA-N,2,1,0.471,46,959,417.379,3.501,5,0.404,0.73,1.0,0.6083630320060311,0.6160218627921321,0.7422297991912823,0.7239394147076965,0.6726385271742855
EOS-2-38117,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c1,YRHVEXYCEFJGCK-UHFFFAOYSA-N,2,1,0.494,59,109,417.379,3.501,5,0.432,0.62,1.0,0.8729011034199163,0.8045027756836406,0.8049910903981906,0.7848502501542046,0.816811304913988
EOS-2-38118,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)nc1,QYGNFCGSMORIQX-UHFFFAOYSA-N,2,1,0.554,72,22,417.379,3.501,5,0.432,0.66,1.0,0.7835480775820711,0.7536666438215338,0.7267664998971969,0.7078250291275444,0.7429515626070866
EOS-2-38119,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)cn5)n4)n23)cc1,WQFGTYDDKCTMGN-UHFFFAOYSA-N,2,1,0.549,73,401,417.379,3.501,5,0.432,0.76,1.0,0.7780395449249538,0.8347611541361113,0.6768298951408402,0.702342197244877,0.7479931978616956
EOS-2-38120,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cc1F,OZMIRQDZIVEUIQ-UHFFFAOYSA-N,2,1,0.726,43,96,417.379,3.501,5,0.432,0.73,1.0,0.9687478582687958,0.8984562401480365,0.8675125077102324,0.8473631005414296,0.8955199266671235
EOS-2-38121,Fc1cccc(-c2cncc(COc3cncc4nnc(-c5cccnc5)n34)n2)c1F,FHAXBJBOVOXKBP-UHFFFAOYSA-N,2,1,0.489,73,401,417.379,3.501,5,0.432,0.72,1.0,0.6453121787403193,0.6734459598382565,0.7292080734699472,0.732155095606881,0.6950303269138509
EOS-2-38122,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)cn1,SUHVCHQLTJCZIW-UHFFFAOYSA-N,2,1,0.556,72,992,417.379,3.501,5,0.404,0.74,1.0,0.9155986567061888,0.7492546775409499,0.7747498457953533,0.737569392091015,0.7942931430333767
EOS-2-38123,Fc1ccccc1-c1nnc2cncc(OCc3ccc(F)c(-c4cnccn4)n3)n12,PYZBGLAUMABNPR-UHFFFAOYSA-N,2,1,0.524,4,540,417.379,3.501,5,0.432,0.68,1.0,0.6223870879309163,0.7078935645260778,0.6369936947433349,0.6533736549928038,0.6551620005482832
EOS-2-38124,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)c1,KRNRARFKUBBEHL-UHFFFAOYSA-N,2,1,0.477,55,879,417.379,3.501,5,0.404,0.8,1.0,0.8528630662737304,0.7536752107463505,0.7863066273730381,0.7582328147488178,0.7877694297854841
EOS-2-38125,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)nc1,QEMCDAHBVKPJRY-UHFFFAOYSA-N,2,1,0.46,2,422,417.379,3.501,5,0.432,0.72,1.0,0.8004848879446234,0.6979901994380098,0.8049996573230074,0.7872061544787883,0.7726702247961073
EOS-2-38126,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)c1F,SGJJFJDHHMKCPI-UHFFFAOYSA-N,2,1,0.554,43,178,417.379,3.501,5,0.432,0.71,1.0,0.9445719964361593,0.8515180590775135,0.8571807963813309,0.8400383798231786,0.8733273079295455
EOS-2-38127,Fc1ccc(F)c(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)c1,HRJYJTJROJQMPB-UHFFFAOYSA-N,2,1,0.561,24,877,417.379,3.501,5,0.432,0.72,1.0,0.6308683434994174,0.7079021314508944,0.6546244260160373,0.6677746556096223,0.6652923891439928
EOS-2-38128,Fc1cccc(F)c1COc1cncc2nnc(-c3ccnc(-c4cncnc4)c3)n12,DOXGHAOHMLNSCK-UHFFFAOYSA-N,2,1,0.5,59,332,417.379,3.501,5,0.432,0.65,1.0,0.8161623603591255,0.6882239051470084,0.8258258515523268,0.8071842231512576,0.7843490850524295
EOS-2-38129,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)cn1,JLEJSLHSJUDFDQ-UHFFFAOYSA-N,2,1,0.465,55,879,417.379,3.501,5,0.404,0.82,1.0,0.8457953532999795,0.8045113426084572,0.8068758138578576,0.7755380028784867,0.8081801281611953
EOS-2-38130,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)nc5)n4)n23)cc1,PNLHDBRMCUNFIU-UHFFFAOYSA-N,2,1,0.561,97,401,417.379,3.501,5,0.404,0.76,1.0,0.8032177369611404,0.8381193886642451,0.7319923240353643,0.7348793776985814,0.7770522068398327
EOS-2-38131,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncccc5F)n34)c2)cn1,IXCLYBGRRXZSKF-UHFFFAOYSA-N,2,1,0.435,46,157,417.379,3.501,5,0.404,0.67,1.0,0.5523182098553903,0.5438883558357892,0.7059917072167775,0.704843739291344,0.6267605030498252
EOS-2-38132,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)nc5)c4)n23)cn1,ZBDFOKORLMWSQR-UHFFFAOYSA-N,2,1,0.519,2,959,417.379,3.501,5,0.404,0.74,1.0,0.77488691659242,0.6588307861010212,0.8315571242546775,0.7942738674525393,0.7648871736001644
EOS-2-38133,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccncc5)n34)c2)nc1F,SQVXOYJGGCSTDC-UHFFFAOYSA-N,2,1,0.477,2,422,417.379,3.501,5,0.404,0.72,1.0,0.7780481118497704,0.7030875197039271,0.7965955040778562,0.7554913988074841,0.7583056336097594
EOS-2-38134,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)nn2)cc1,LZJUGPOCGDNMIX-UHFFFAOYSA-N,2,1,0.5,34,691,417.379,3.501,5,0.432,0.75,0.997,0.639623740662052,0.6295833047769173,0.6740799122746899,0.7134963333561785,0.6641958227674594
EOS-2-38135,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cnccc5F)ccn4)n23)nc1,YMCKWDFXFOCSGC-UHFFFAOYSA-N,2,1,0.488,46,160,417.379,3.501,5,0.432,0.7,1.0,0.5823624151874444,0.5438969227606059,0.7540692892879172,0.7554999657323007,0.658957148242067
EOS-2-38136,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)c1F,MOKKTCUBJHUSBD-UHFFFAOYSA-N,2,1,0.5,59,817,417.379,3.501,5,0.432,0.73,1.0,0.8549962305530807,0.8082293879788911,0.842865465012679,0.8139777945308752,0.8300172195188815
EOS-2-38137,Cc1cncc2nnc(-c3ccc(Oc4ccc(F)cc4F)c(-c4cnccn4)n3)n12,OCGYCHAOEQNBOD-UHFFFAOYSA-N,2,1,0.372,13,110,417.379,4.022,5,0.436,0.8,1.0,0.4590672332259612,0.5028870536632171,0.6491073264341032,0.6419196765129189,0.5632453224590501
EOS-2-38138,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(F)n5)nc4)n23)cc1,UPGMINRNSPTXIP-UHFFFAOYSA-N,2,1,0.615,97,232,417.379,3.501,5,0.404,0.69,1.0,0.9682681104790625,0.9193766705503392,0.6491158933589198,0.6588907545747379,0.7989128572407648
EOS-2-38139,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cn2)c1,DSRKZPLVDUQQIS-UHFFFAOYSA-N,2,1,0.488,55,879,417.379,3.501,5,0.404,0.76,1.0,0.8618412034815982,0.7579586731546843,0.788062846960455,0.7582413816736344,0.7915260263175931
EOS-2-38140,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)nn2)cc1,WTVIDUPSJIFZCV-UHFFFAOYSA-N,2,1,0.494,54,691,417.379,3.501,5,0.432,0.78,0.998,0.5942618737577959,0.6109331094510314,0.6794599410595573,0.7239479816325132,0.6521507264752244
EOS-2-38141,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)c1,SNENDRFRXVLIBM-UHFFFAOYSA-N,2,1,0.5,19,691,417.379,3.501,5,0.432,0.76,1.0,0.5573384277979576,0.5771023233500103,0.6576742512507711,0.7107977520389281,0.6257281886094168
EOS-2-38142,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)c1,KZXACMPTTVPGOQ-UHFFFAOYSA-N,2,1,0.593,4,817,417.379,3.501,5,0.432,0.68,1.0,0.7277773970255637,0.7215321088342129,0.8258344184771435,0.8139863614556919,0.772282571448153
EOS-2-38143,FC(F)Oc1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cn1,OJVKKZWOWZTFRU-UHFFFAOYSA-N,2,1,0.37,42,478,417.379,3.912,5,0.428,0.84,1.0,0.5316119525735042,0.5921287094784456,0.8927078335960523,0.8543537111918306,0.7177005517099582
EOS-2-38144,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)c(F)c1,AJSSEDAPDRVLRQ-UHFFFAOYSA-N,2,1,0.541,59,770,417.379,3.501,5,0.432,0.79,1.0,0.8917911726406689,0.8664587759577822,0.6956942635871428,0.6826554040161743,0.784149904050442
EOS-2-38145,Cc1ncc(-c2cccc(Oc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)nn1,BAKLOWFYLLIFJZ-UHFFFAOYSA-N,2,1,0.506,13,15,417.379,4.022,5,0.436,0.81,1.0,0.8366030429716949,0.834769721060928,0.7632273319169351,0.7555085326571174,0.7975271571516689
EOS-2-38146,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)nc1,YKVZCYBQAXTVLA-UHFFFAOYSA-N,2,1,0.588,4,817,417.379,3.501,5,0.432,0.72,1.0,0.7573932561167843,0.744971215132616,0.8242581043108765,0.8051024604208074,0.7829312589952712
EOS-2-38147,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4cnccc4F)cn3)n12,MQCYQAIVSXDCNB-UHFFFAOYSA-N,2,1,0.432,2,119,417.379,3.501,5,0.432,0.8,1.0,0.7947878829415393,0.6686741827153725,0.815168597080392,0.805111027345624,0.770935422520732
EOS-2-38148,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)cn2)cn1,FTBCMMSDXLZPDI-UHFFFAOYSA-N,2,1,0.603,13,995,417.379,4.022,5,0.436,0.78,1.0,0.8768504557604002,0.787831539990405,0.7943424028510726,0.7479439380439997,0.8017420841614694
EOS-2-38149,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cc1F,IMFSCJAYVWDYTL-UHFFFAOYSA-N,2,1,0.61,46,294,417.379,3.501,5,0.432,0.75,1.0,0.8528716331985471,0.7449797820574326,0.8068843807826742,0.7805667877458707,0.7963256459461312
EOS-2-38150,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cc1F,LVZZJWPNBSPUBJ-UHFFFAOYSA-N,2,1,0.46,19,691,417.379,3.501,5,0.432,0.72,0.999,0.6112843533685148,0.5873912000548284,0.6519172777739702,0.679571311082174,0.6325410355698718
EOS-2-38151,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(F)c5)nn4)n23)cc1,PKVIOYQIMFSGBL-UHFFFAOYSA-N,2,1,0.549,34,32,417.379,3.501,5,0.432,0.8,1.0,0.8216708930162429,0.8347782879857446,0.7189877321636625,0.7401137687615653,0.7788876704818037
EOS-2-38152,Fc1cc(-c2nnc3cncc(OCc4cccnc4F)n23)ccc1-c1cncnc1,RMRWHWUULZEPQS-UHFFFAOYSA-N,2,1,0.524,97,817,417.379,3.501,5,0.404,0.74,1.0,0.9249965732300733,0.7957302446713728,0.8413062846960455,0.8139949283805086,0.8440070077445001
EOS-2-38153,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)cc1F,QTCDTIKFWCOHSZ-UHFFFAOYSA-N,2,1,0.645,2,884,417.379,3.501,5,0.432,0.72,1.0,0.794796449866356,0.7403707765060654,0.879463367829484,0.8578318826673977,0.8181156192173258
EOS-2-38154,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)nc1,VQGOBSNXLATAIM-UHFFFAOYSA-N,2,1,0.494,19,691,417.379,3.501,5,0.432,0.73,0.996,0.622395654855733,0.5968490850524296,0.6519258446987869,0.6994979782057432,0.6426671407031731
EOS-2-38155,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccnc5F)n34)ccn2)cn1,QLHJVTDWNKMUHA-UHFFFAOYSA-N,2,1,0.494,97,525,417.379,3.501,5,0.404,0.79,1.0,0.8391131519429785,0.7170259063806456,0.7772171201425536,0.7375779590158317,0.7677335343705023
EOS-2-38156,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)cc1F,VYCXLNGNRANKNE-UHFFFAOYSA-N,2,1,0.529,4,22,417.379,3.501,5,0.432,0.67,1.0,0.8436964567198958,0.7403793434308821,0.8068929477074909,0.7684445891302858,0.7898533342471385
EOS-2-38157,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)nc4)n23)cc1,HWPBCSYAGJUKND-UHFFFAOYSA-N,2,1,0.645,73,665,417.379,3.501,5,0.432,0.75,1.0,0.9600609965046947,0.8911829209786855,0.6740884791995065,0.6707473785210061,0.7990199438009732
EOS-2-38158,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncccc5F)n34)c2)nn1,SDQNEBLWNKVUKL-UHFFFAOYSA-N,2,1,0.529,72,613,417.379,3.501,5,0.432,0.66,1.0,0.6365996162017682,0.6248372284284833,0.6768384620656569,0.6735316290864232,0.6529517339455829
EOS-2-38159,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(F)n5)n4)n23)cc1,JUDGMKRKLOHZAK-UHFFFAOYSA-N,2,1,0.548,4,232,417.379,3.501,5,0.404,0.78,1.0,0.7890994448632719,0.8161195257350421,0.654632992940854,0.6766157220204235,0.7341169213898978
EOS-2-38160,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c2)c1,VTXZIVMRLHTYNN-UHFFFAOYSA-N,2,1,0.489,46,160,417.379,3.501,5,0.432,0.7,1.0,0.4684908505242958,0.48421115756288124,0.742238366116099,0.7504283462408334,0.6113421801110274
EOS-2-38161,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccncn5)n34)cc2F)ccn1,GLVJHQASXDNBAG-UHFFFAOYSA-N,2,1,0.523,97,744,417.379,3.501,5,0.404,0.72,1.0,0.7780566787745871,0.7492632444657665,0.8223562470015763,0.7942824343773559,0.7859896511548214
EOS-2-38162,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncncn5)n34)c2)cc1F,PURAEEPZJGAZDG-UHFFFAOYSA-N,2,1,0.512,34,80,417.379,3.501,5,0.432,0.68,1.0,0.8161709272839421,0.7667055033925022,0.7840620930710712,0.7896477280515386,0.7891465629497636
EOS-2-38163,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1F,KMECVZYJSOAXQM-UHFFFAOYSA-N,2,1,0.554,73,401,417.379,3.501,5,0.432,0.73,1.0,0.8242409704612432,0.8449900623672126,0.7584384209444178,0.7452881913508327,0.7932394112809267
EOS-2-38164,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)c1,WZNWNZPEPMUKRC-UHFFFAOYSA-N,2,1,0.433,46,160,417.379,3.501,5,0.432,0.71,1.0,0.6638424371187719,0.5717394284147762,0.833193406894661,0.8239582619422932,0.7231833835926256
EOS-2-38165,COc1nc(-c2nnc3cncc(-c4ccc(F)c(F)c4)n23)ccc1-c1cncnc1,WJIMEKWOYUWKKO-UHFFFAOYSA-N,2,1,0.309,96,575,417.379,3.597,5,0.441,0.8,0.992,0.5060054142964842,0.5028956205880337,0.7632358988417518,0.7292594750188472,0.6253491021862791
EOS-2-38166,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,LNIUTGUWRPIIST-UHFFFAOYSA-N,2,1,0.514,9,121,417.379,3.912,5,0.428,0.79,1.0,0.5085669248166678,0.567130422863409,0.8975824138167363,0.8793262970324173,0.7131515146323075
EOS-2-38167,Fc1cccc(-c2ncc(-c3nnc4cncc(OCc5ccccn5)n34)cn2)c1F,FXZLQYBQOJRQNM-UHFFFAOYSA-N,2,1,0.641,4,71,417.379,3.501,5,0.432,0.7,1.0,0.6939980124734425,0.7079106983757111,0.6712185593859228,0.667783222534439,0.6852276231923788
EOS-2-38168,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cn5)n34)n2)cc1,JPEZAKWJLSWBPQ-UHFFFAOYSA-N,2,1,0.427,46,267,417.379,3.501,5,0.432,0.71,1.0,0.6483705708998698,0.6248457953533,0.6631056815845384,0.69950654513056,0.6589571482420671
EOS-2-38169,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)c1F,AINZBWLNNRZOFA-UHFFFAOYSA-N,2,1,0.429,46,160,417.379,3.501,5,0.432,0.73,0.998,0.7030618189294771,0.5823624151874444,0.8381193886642451,0.819991775752176,0.7358838496333355
EOS-2-38170,Fc1cncc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nn5)c4)n23)c1,KSYZMRNMDHDHKN-UHFFFAOYSA-N,2,1,0.477,43,613,417.379,3.501,5,0.432,0.69,1.0,0.7216691796312795,0.6542903159481872,0.7562538551161675,0.7479525049688164,0.7200414639161127
EOS-2-38171,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)cc1F,HSCSUOLWYXOCDZ-UHFFFAOYSA-N,2,1,0.561,4,391,417.379,3.501,5,0.432,0.71,1.0,0.8136950860119252,0.8275820711397437,0.744714207388116,0.7427866493043657,0.7821945034610376
EOS-2-38172,Fc1cncc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)c1,QDBPRRNPFUQAFY-UHFFFAOYSA-N,2,1,0.5,72,613,417.379,3.501,5,0.432,0.69,1.0,0.7806867246933041,0.6391354259475018,0.7562624220409842,0.740122335686382,0.7290517270920431
EOS-2-38173,Fc1cnc(COc2cncc3nnc(-c4ccccc4F)n23)cc1-c1cncnc1,LPVCBHUEYVLISN-UHFFFAOYSA-N,2,1,0.529,73,817,417.379,3.501,5,0.432,0.66,1.0,0.6396323075868686,0.7079192653005277,0.7923034747447056,0.7872147214036049,0.7317674422589268
EOS-2-38174,Fc1cccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5F)nn4)n23)c1,IZYFUFBQYGOHID-UHFFFAOYSA-N,2,1,0.542,34,210,417.379,3.501,5,0.432,0.76,1.0,0.7517904872866835,0.7878401069152217,0.6012953190322802,0.6940494140223425,0.7087438318141319
EOS-2-38175,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cnc1F,GDIVXBDGBFZNJG-UHFFFAOYSA-N,2,1,0.524,72,22,417.379,3.501,5,0.404,0.75,1.0,0.9156072236310054,0.7620279624426016,0.8030121307655405,0.7607514906449181,0.8103497018710164
EOS-2-38176,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5)nn4)n23)c(F)c1,JSJTUZMZYDOWRU-UHFFFAOYSA-N,2,1,0.568,34,146,417.379,3.501,5,0.432,0.75,1.0,0.7488177643752998,0.8911914879035021,0.581908368172161,0.6588993214995545,0.7202042354876294
EOS-2-38177,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccc(F)cn5)n4)n23)cc1,HHWANJBMOXCKHX-UHFFFAOYSA-N,2,1,0.556,34,335,417.379,3.501,5,0.432,0.74,1.0,0.9324240970461243,0.909661777808238,0.6164245082585155,0.6476509492152697,0.7765403330820368
EOS-2-38178,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nc4)n23)cc1F,PVGOTESYGAGKCW-UHFFFAOYSA-N,2,1,0.58,59,817,417.379,3.501,5,0.432,0.75,1.0,0.9156157905558221,0.8545764512370639,0.8461123295181961,0.8116304571311083,0.8569837571105475
EOS-2-38179,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(F)ncc5F)n34)cn2)cn1,KEXVUZJMTWXXMY-UHFFFAOYSA-N,2,1,0.315,82,478,417.379,3.597,5,0.413,0.81,1.0,0.5293160167226373,0.6441042423411693,0.7701579740936193,0.6940579809471592,0.6594090535261463
EOS-2-38180,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)ncn2)cc1,LLVXUVVUOOYHTL-UHFFFAOYSA-N,2,1,0.472,44,130,417.379,3.501,5,0.432,0.75,1.0,0.5740953327393599,0.5671389897882256,0.7189962990884792,0.7452967582756493,0.6513818449729285
EOS-2-38181,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)cc1F,SMCMIQRYUDPYPC-UHFFFAOYSA-N,2,1,0.653,2,884,417.379,3.501,5,0.432,0.72,1.0,0.7458193406894661,0.7309043245836474,0.8821790829963676,0.8627150298128984,0.8054044445205949
EOS-2-38182,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)nn4)n23)cc1,GMQKYXUCSXLXAW-UHFFFAOYSA-N,2,1,0.568,34,232,417.379,3.501,5,0.404,0.74,1.0,0.8316427935028442,0.8515266260023302,0.7241107532040298,0.7292680419436639,0.7841370536632171
EOS-2-38183,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1F,YSKUEARPYOEJHJ-UHFFFAOYSA-N,2,1,0.494,46,267,417.379,3.501,5,0.432,0.74,1.0,0.6280498252347337,0.6109416763758482,0.7009372215749434,0.6826639709409911,0.6556481735316291
EOS-2-38184,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccccc5)n34)n2)c(F)c1,LFYZIYMFQDNVQI-UHFFFAOYSA-N,2,1,0.494,4,700,417.379,3.501,5,0.432,0.7,1.0,0.7216777465560962,0.6346035227194846,0.5758858200260435,0.6095538345555479,0.6354302309642931
EOS-2-38185,Fc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)c4)n23)cc1F,XOZODSADDCZNJB-UHFFFAOYSA-N,2,1,0.566,59,389,417.379,3.501,5,0.432,0.72,1.0,0.92500514015489,0.8830015077787677,0.7943509697758893,0.7781252141731204,0.8451207079706669
EOS-2-38186,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)cn4)n23)cc1,IHBLAUXWEBRPDJ-UHFFFAOYSA-N,2,1,0.542,97,539,417.379,3.501,5,0.404,0.71,1.0,0.8391217188677952,0.8449986292920293,0.7422469330409156,0.734887944623398,0.7903138064560344
EOS-2-38187,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nc1,DQLOPIFVFHWFGV-UHFFFAOYSA-N,2,1,0.488,46,162,417.379,3.501,5,0.432,0.72,1.0,0.6169642245219656,0.6205109313960661,0.6901514632307587,0.6826725378658077,0.6525747892536495
EOS-2-38188,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c2)cc1,IKPCRUUJGSQFFT-UHFFFAOYSA-N,2,1,0.477,34,207,417.379,3.501,5,0.432,0.67,1.0,0.5111113014872182,0.5392365156603386,0.7394284147762319,0.7805753546706874,0.6425878966486189
EOS-2-38189,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)c(F)c4)n23)cn1,ATEHNKXCPDPQIN-UHFFFAOYSA-N,2,1,0.536,72,992,417.379,3.501,5,0.404,0.73,1.0,0.9018316085258036,0.7536837776711671,0.8113306147625249,0.7848588170790213,0.8129262045096292
EOS-2-38190,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)n1,DXRWQZGKBUTAME-UHFFFAOYSA-N,2,1,0.451,46,267,417.379,3.501,5,0.404,0.77,1.0,0.6761788088547734,0.6441128092659859,0.6222928517579329,0.6185491056130491,0.6402833938729353
EOS-2-38191,Fc1ccnc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)c1,RXPWAUAERRJHRW-UHFFFAOYSA-N,2,1,0.565,72,613,417.379,3.501,5,0.432,0.67,1.0,0.5266517031046536,0.6013124528819135,0.7161520800493455,0.7108063189637448,0.6387306387499143
EOS-2-38192,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)cn4)n23)c(F)c1,UOMOUSDKMOKCTA-UHFFFAOYSA-N,2,1,0.568,73,540,417.379,3.501,5,0.432,0.72,1.0,0.7691984785141526,0.8198547049551093,0.7657545747378521,0.747961071893633,0.7756922075251867
EOS-2-38193,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)c2)nn1,IPHDMKZBGFYGLM-UHFFFAOYSA-N,2,1,0.512,72,613,417.379,3.501,5,0.404,0.71,1.0,0.5767425125077102,0.6013210198067301,0.6874271811390583,0.6707559454458227,0.6340616647248304
EOS-2-38194,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)ccn2)cn1,TXTOUQOXUIDNFO-UHFFFAOYSA-N,2,1,0.466,13,110,417.379,4.022,5,0.436,0.75,1.0,0.7635614419847851,0.7125625385511617,0.7880714138852717,0.7348965115482147,0.7497729764923584
EOS-2-38195,Cc1ncc(-c2nnc3cncc(OCc4ccnc(-c5ncc(F)nn5)n4)n23)cn1,IQRLHZFVSCKKCW-UHFFFAOYSA-N,2,1,0.461,7,48,417.368,1.25,5,0.407,0.55,0.935,0.4834829689534645,0.5029041875128504,0.026805907751353573,0.021048934274552806,0.25856049962305533
EOS-2-38196,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(Cl)c5)cc4)n23)cc1,YPHMOBLULYZEFB-UHFFFAOYSA-N,2,1,0.476,83,472,417.299,6.432,5,0.34,0.86,1.0,0.4082996367623878,0.7957388115961894,0.9736738400383799,0.9918871221986156,0.7923998526488931
EOS-2-38197,Clc1cc(Br)ccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cn3)n12,LKFUWEWKWACVEX-UHFFFAOYSA-N,2,1,0.561,4,10,482.729,4.367,5,0.37,0.62,1.0,0.41288294153930505,0.6160304297169488,0.6822356247001576,0.7160407100267288,0.6067974264957852
EOS-2-38198,Clc1ccc(-n2ncc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)n2)cc1,UMPHZBKVYYUZQV-UHFFFAOYSA-N,2,1,0.584,34,612,482.729,4.367,5,0.37,0.71,1.0,0.5159773147830855,0.7791960797752039,0.5758943869508601,0.6826811047906244,0.6384372215749434
EOS-2-38199,Cn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3cccc(Br)c3)n12,BMMBXLWXRIEWRT-UHFFFAOYSA-N,2,1,0.483,13,706,482.729,4.795,5,0.342,0.81,1.0,0.4738451785347132,0.6783462408333905,0.6463230758686862,0.6735401960112398,0.6180136728120074
EOS-2-38200,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cnc(Br)c5)cn4)n23)cc1,KDGHCVXRCFXADL-UHFFFAOYSA-N,2,1,0.566,4,32,482.729,4.367,5,0.37,0.69,1.0,0.6308769104242341,0.8082379549037078,0.7161606469741622,0.7321636625316976,0.7218597937084503
EOS-2-38201,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1Cl,WILAZOZKDHIFFO-UHFFFAOYSA-N,2,1,0.812,23,721,417.271,5.167,4,0.45,0.83,1.0,0.9938575149064491,0.9933349324926325,0.969750188472346,0.9778802001233637,0.9837057089986978
EOS-2-38202,CCn1cc(-c2ccnc(-c3nnc4cncc(-c5cc(Cl)nc(Br)n5)n34)c2)cn1,CLVCQCMLRNABFT-UHFFFAOYSA-N,2,1,0.262,50,711,482.733,3.943,5,0.282,0.62,1.0,0.05883763964087451,0.12167603317113289,0.2645894729627853,0.30761256939209103,0.18817892879172093
EOS-2-38203,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)c(Cl)c1,FTIWUGCNWUQXTH-UHFFFAOYSA-N,2,1,0.595,57,962,482.758,6.393,5,0.271,0.77,1.0,0.8161794942087588,0.8984648070728531,0.967608457268179,0.9823949695017477,0.9161619320128846
EOS-2-38204,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)c(Cl)c5)n4)n23)cc1,ZLYJEUMRPGGMNB-UHFFFAOYSA-N,2,1,0.588,57,461,482.758,6.393,5,0.29,0.86,1.0,0.9182972380234391,0.9732369268727298,0.9549294085395107,0.9766122952504969,0.955768967171544
EOS-2-38205,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5ccnc(Cl)c5)c4)n23)cc1,LJLRONHBDOZRDV-UHFFFAOYSA-N,2,1,0.68,57,798,482.758,6.393,5,0.271,0.78,1.0,0.9677026934411623,0.980141868274964,0.9736824069631965,0.9868583373312316,0.9770963265026387
EOS-2-38206,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5Cl)cc4)n23)cc1,LFDVWNXSGAWRDF-UHFFFAOYSA-N,2,1,0.68,57,326,482.758,6.393,5,0.271,0.78,1.0,0.9650212459735453,0.9571054074429443,0.9660921115756288,0.980244671372764,0.9671158590912206
EOS-2-38207,Fc1ccc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)cc1F,NEXNYCZTTBTUTN-UHFFFAOYSA-N,2,1,1.0,23,17,417.213,4.411,4,0.494,0.81,1.0,0.9982437804125831,0.9918014529504489,0.9707353848262628,0.972508738263313,0.9833223391131519
EOS-2-38208,COc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)ncc1F,KNSAECJQTOXJIU-UHFFFAOYSA-N,2,1,0.484,73,212,482.838,3.558,5,0.358,0.66,1.0,0.8161880611335754,0.9285004454800905,0.4840141182920979,0.49336063326708246,0.6805158145432115
EOS-2-38209,COc1nc(-c2cnc(F)c(F)c2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,RNTDEGWRDRAKJL-UHFFFAOYSA-N,2,1,0.407,51,196,482.838,3.558,5,0.335,0.67,0.833,0.7366612980604482,0.7492718113905832,0.5290333082036872,0.49037077650606536,0.626334298540196
EOS-2-38210,COc1ncncc1COc1cncc2nnc(-c3cc(F)c(-c4cnc(Cl)nc4)c(F)c3)n12,BPRMUPDFVBCQCP-UHFFFAOYSA-N,2,1,0.483,2,434,482.838,3.558,5,0.335,0.66,1.0,0.9453858542937427,0.8608902748269481,0.7110033582345281,0.644832430950586,0.7905279795764512
EOS-2-38211,Cn1ncc(-c2cc(F)c(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2F)cc1=O,WVDZWARMAHAZFD-UHFFFAOYSA-N,2,1,0.426,73,605,482.838,2.853,5,0.376,0.6,1.0,0.5159858817079022,0.5392450825851552,0.6337982317867178,0.6589078884243712,0.5869842711260366
EOS-2-38212,FC(F)Oc1nc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1cncc(Cl)c1,VYDASNVYQAYVHT-UHFFFAOYSA-N,2,1,0.41,46,52,482.838,3.872,5,0.341,0.73,0.97,0.697005003084093,0.7125711054759784,0.7136077033787952,0.6940665478719759,0.7043125899527105
EOS-2-38213,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)nc2F)ccc1=O,HXJCOXCZQRNSEH-UHFFFAOYSA-N,2,1,0.384,46,223,482.838,2.853,5,0.351,0.64,0.76,0.417294907819889,0.4363306147625248,0.4702213693372627,0.5135528750599685,0.4593499417449113
EOS-2-38214,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncc(Cl)n5)n4)n23)cc1,MQCYJGGTLGGTHH-UHFFFAOYSA-N,2,1,0.609,27,408,482.838,3.872,5,0.341,0.71,1.0,0.7864522650949215,0.877912754437667,0.7540778562127339,0.7349050784730313,0.7883369885545883
EOS-2-38215,FC(F)Oc1ccc(Cl)cc1-c1nnc2cncc(OCc3ncc(-c4ccnnc4)cn3)n12,UOXDMFRXZSCEDB-UHFFFAOYSA-N,2,1,0.484,51,969,482.838,3.872,5,0.341,0.74,1.0,0.6970135700089096,0.7836594476046879,0.8151771640052087,0.7872232883284216,0.770768367486807
EOS-2-38216,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccc(Cl)nc5)n4)n23)cc1,SOLXKIADDIXAAT-UHFFFAOYSA-N,2,1,0.617,27,996,482.838,3.872,5,0.319,0.73,1.0,0.7665512987458022,0.8804228634089507,0.7562709889658008,0.7529984236858337,0.7890608937015968
EOS-2-38217,FC(F)c1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ncn2)cn1,CNBFORGPKSBUJD-UHFFFAOYSA-N,2,1,0.379,31,194,482.842,3.041,5,0.341,0.62,0.856,0.5942704406826126,0.6013295867315468,0.2979662120485231,0.29187512850387226,0.4463603419916387
EOS-2-38218,Fc1cc(-c2ccc(OC(F)F)cc2)ccc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,DHTYDRQFFAQICF-UHFFFAOYSA-N,2,1,0.732,83,163,482.849,6.645,5,0.271,0.77,1.0,0.9806730176135974,0.994739908162566,0.9932663970940991,0.9958193406894661,0.9911246658899321
EOS-2-38219,Cc1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1Oc1cccc(F)c1F,XKYRSVQVNQWQLK-UHFFFAOYSA-N,2,1,0.483,57,236,482.849,6.755,5,0.277,0.71,1.0,0.965029812898362,0.9633421287094784,0.9890771708587486,0.9885117538208484,0.9764902165718593
EOS-2-38220,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccc(F)c(F)c1,RBXWBJHWXSLHDB-UHFFFAOYSA-N,2,1,0.512,57,236,482.849,6.33,5,0.293,0.7,1.0,0.9644558289356453,0.9641131519429785,0.9900623672126654,0.9903193749571654,0.9772376807621137
EOS-2-38221,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nn4)n23)cc1F,DWSSNPDNVMZXSK-UHFFFAOYSA-N,2,1,0.553,19,691,482.853,4.941,5,0.319,0.77,0.999,0.9638989788225618,0.9624854362278117,0.9382496059214585,0.954561030772394,0.9547987629360565
EOS-2-38222,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)n5)c4)n23)ccc1Cl,VCXAHERBCVMRPV-UHFFFAOYSA-N,2,1,0.64,84,360,482.853,4.941,5,0.319,0.59,1.0,0.9588102254814612,0.9599667603317114,0.9528819135083271,0.9545695976972106,0.9565571242546776
EOS-2-38223,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)c(F)c4)n23)c1,FFVLRAYOUOAQLH-UHFFFAOYSA-N,2,1,0.557,88,70,482.853,4.941,5,0.319,0.67,1.0,0.9821208279076142,0.9861387156466315,0.9456599958878761,0.9500548283188267,0.9659935919402372
EOS-2-38224,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)n5)c4)n23)cc1Cl,FYKQMDIBFGUWJD-UHFFFAOYSA-N,2,1,0.64,84,360,482.853,4.941,5,0.319,0.6,1.0,0.9573795490370777,0.959975327256528,0.9528904804331437,0.9545781646220273,0.9562058803371941
EOS-2-38225,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5c(F)cccc5F)nn4)n23)ccc1Cl,FEONGDJVHQIOHD-UHFFFAOYSA-N,2,1,0.641,19,570,482.853,4.941,5,0.341,0.71,1.0,0.9426615722020424,0.9431584538414091,0.9326297032417243,0.9520423548762936,0.9426230210403673
EOS-2-38226,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nc5)n4)n23)cc1,LWSVRDBYENTJMV-UHFFFAOYSA-N,2,1,0.505,1,676,482.853,5.5,5,0.308,0.79,1.0,0.9141936810362552,0.9455828935645261,0.9864813926392982,0.9729285175793297,0.9547966212048523
EOS-2-38227,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ncn2)cc1F,BFDAAKFPUFZBTE-UHFFFAOYSA-N,2,1,0.61,88,570,482.853,4.941,5,0.341,0.75,1.0,0.9542440545541773,0.9267185251182236,0.9561030772393941,0.963222191762045,0.95007196216846
EOS-2-38228,FC(F)(F)c1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1,XBBNQQGYWWWHHN-UHFFFAOYSA-N,2,1,0.554,1,138,482.853,5.5,5,0.329,0.82,1.0,0.9745305325200466,0.9561459118634775,0.9888886985127818,0.9792509080940306,0.9747040127475841
EOS-2-38229,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1-c1ccnc(Cl)c1,UCBGKKAPLQMMDY-UHFFFAOYSA-N,2,1,0.495,59,430,482.853,5.557,5,0.295,0.7,1.0,0.9197536152422726,0.9571139743677609,0.9771177438146803,0.969878692344596,0.9559660064423274
EOS-2-38230,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cc1,YSYYSEJUBRSNLM-UHFFFAOYSA-N,2,1,0.542,43,138,482.853,5.5,5,0.329,0.82,1.0,0.9127715715166884,0.9230861489959564,0.9887173600164485,0.9789339318758139,0.9508772531012268
EOS-2-38231,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cc(F)cc(Cl)n5)c4)n23)c1,MWGPLAZGQXXWHZ-UHFFFAOYSA-N,2,1,0.516,88,490,482.853,4.941,5,0.319,0.6,1.0,0.9620570899869783,0.9693989445548626,0.9235144952367899,0.9383866767185252,0.9483393016242889
EOS-2-38232,Fc1cc(F)c(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1cccc(Cl)c1F,XCEXUBSOYAFXIR-UHFFFAOYSA-N,2,1,0.517,88,222,482.853,4.941,5,0.341,0.67,1.0,0.930213830443424,0.9580049345486944,0.9186227811664724,0.9357908984990748,0.9356581111644164
EOS-2-38233,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4cnc(F)c(Cl)c4)nc3)n12,OAERADNWQIJKCZ-UHFFFAOYSA-N,2,1,0.523,88,749,482.853,4.941,5,0.319,0.65,0.986,0.9496264820779933,0.9738280446850799,0.9417449112466589,0.9479730655883764,0.9532931258995271
EOS-2-38234,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nc2F)cn1,YPPKJXHBKVPMLF-UHFFFAOYSA-N,2,1,0.588,88,384,482.853,4.941,5,0.319,0.67,1.0,0.9749503118360633,0.9589130285792612,0.9456685628126927,0.9500633952436434,0.9573988246179151
EOS-2-38235,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)nc4)n23)cn1,TVXFOPATCDOSJX-UHFFFAOYSA-N,2,1,0.549,1,679,482.853,5.5,5,0.329,0.77,1.0,0.932432663970941,0.9431670207662257,0.9815040093208142,0.9638304434240285,0.9552335343705023
EOS-2-38236,Fc1ccnc(CCOc2cncc3nnc(-c4cnc(-c5ccc(Cl)c(F)c5)cc4F)n23)c1,WVCIWYJAAMKUGD-UHFFFAOYSA-N,2,1,0.5,88,490,482.853,4.941,5,0.341,0.62,1.0,0.9210900555136728,0.947801727092043,0.9295284764580906,0.9465423891439929,0.9362406620519499
EOS-2-38237,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4cncnc4)c(F)c3Cl)n12,KURIREXRYXVYDZ-UHFFFAOYSA-N,2,1,0.566,88,749,482.853,4.941,5,0.341,0.65,1.0,0.9377612912069083,0.9641217188677952,0.9608405866630114,0.9659379069289288,0.957165375916661
EOS-2-38238,FC(F)(F)c1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,MXOIMFZFEURDGY-UHFFFAOYSA-N,2,1,0.649,1,679,482.853,5.5,5,0.329,0.73,1.0,0.9815468439448976,0.9826862449455144,0.972945651428963,0.94935234048386,0.9716327702008087
EOS-2-38239,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)ccn2)cc1F,BNMIQRMNMDPBGR-UHFFFAOYSA-N,2,1,0.563,88,429,482.853,4.941,5,0.319,0.67,1.0,0.9791052703721472,0.9658865053800287,0.9497549859502433,0.9539013775615105,0.9621620348159825
EOS-2-38240,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5C(F)F)nc4)n23)cnc1Cl,QCVNRDOOENCWKG-UHFFFAOYSA-N,2,1,0.457,97,89,482.853,5.557,5,0.295,0.7,1.0,0.9127801384415051,0.9418477143444589,0.9710437941196628,0.9638390103488452,0.947377664313618
EOS-2-38241,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2F)cn1,MGTMMXRTDDHKEY-UHFFFAOYSA-N,2,1,0.565,88,919,482.853,4.941,5,0.319,0.62,1.0,0.972894249880063,0.9791995065451305,0.9534815982454938,0.9565913919539442,0.9655416866561579
EOS-2-38242,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2F)ccn1,QWMJIIGCQFNEAC-UHFFFAOYSA-N,2,1,0.558,88,919,482.853,4.941,5,0.319,0.57,1.0,0.9734168322938798,0.9787625933794805,0.9542526214789939,0.9565999588787609,0.9657580015077788
EOS-2-38243,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)c(Cl)c1,IBHCYWXEKDUPKB-UHFFFAOYSA-N,2,1,0.547,88,161,482.853,4.941,5,0.341,0.62,1.0,0.9721403604961962,0.9708467548488795,0.9396631485162086,0.9493609074086766,0.9580027928174902
EOS-2-38244,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)cc1F,PBWRXJPDRUFTCF-UHFFFAOYSA-N,2,1,0.549,88,884,482.853,4.941,5,0.319,0.7,1.0,0.942670139126859,0.9561544787882942,0.957782194503461,0.9626739085737783,0.9548201802480982
EOS-2-38245,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)nc1,KAVGKQCWIKSENB-UHFFFAOYSA-N,2,1,0.517,1,801,482.853,5.5,5,0.329,0.8,1.0,0.7665598656706188,0.9249623055308067,0.9871239120005483,0.9778887670481804,0.9141337125625386
EOS-2-38246,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)c(F)c1,SLMLOUJEXWRESL-UHFFFAOYSA-N,2,1,0.542,88,28,482.853,4.941,5,0.319,0.6,1.0,0.9405712425467754,0.9624940031526283,0.897590980741553,0.9125316976218216,0.9282969810156946
EOS-2-38247,FC(F)(F)c1ccccc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,HIKKQTLTQTWGPE-UHFFFAOYSA-N,2,1,0.467,97,676,482.853,5.5,5,0.329,0.75,1.0,0.944580563360976,0.9375471180864917,0.9867041326845316,0.9754129257761633,0.9610611849770406
EOS-2-38248,Fc1ccc(F)c(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)c1F,DILRCKSJIZGPPK-UHFFFAOYSA-N,2,1,0.511,88,222,482.853,4.941,5,0.319,0.64,1.0,0.9066890548968543,0.9431755876910424,0.9205503392502228,0.9366818586800082,0.9267742101295319
EOS-2-38249,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(-c2ccc(Cl)nc2)c1,MSFYEZGPWIYVOG-UHFFFAOYSA-N,2,1,0.495,97,430,482.853,5.557,5,0.295,0.69,0.999,0.9357480638749914,0.9615430744979782,0.9742992255499966,0.9674199849222124,0.9597525872112946
EOS-2-38250,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)ccn2)cc1F,XLGQUSFTYMWPES-UHFFFAOYSA-N,2,1,0.517,88,275,482.853,4.941,5,0.319,0.66,1.0,0.9667003632376122,0.9615516414227949,0.9334178603248577,0.9416935096977589,0.9508408436707559
EOS-2-38251,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c(F)c1F,HLOSPHHWSLYNAG-UHFFFAOYSA-N,2,1,0.468,88,153,482.853,4.941,5,0.252,0.75,1.0,0.8768590226852169,0.8912000548283189,0.9542611884038106,0.9552720855321774,0.9193980878623809
EOS-2-38252,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccc2F)cc1F,CTCMUZPPYHDIEV-UHFFFAOYSA-N,2,1,0.547,88,485,482.853,4.941,5,0.341,0.7,1.0,0.9764238229045302,0.9815811116441642,0.932638270166541,0.9506716469056268,0.9603287129052155
EOS-2-38253,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)c4)n23)cc1,QLUXVJHFVVKVRH-UHFFFAOYSA-N,2,1,0.561,1,138,482.853,5.5,5,0.329,0.8,1.0,0.9791138372969639,0.9541669522308273,0.9888972654375985,0.9792594750188472,0.9753593824960591
EOS-2-38254,FC(F)(F)c1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1,DRHPMVMCABZXJA-UHFFFAOYSA-N,2,1,0.523,1,613,482.853,5.5,5,0.329,0.79,1.0,0.9197621821670893,0.9314988691659242,0.9881519429785485,0.9782571448152971,0.9544175347817148
EOS-2-38255,FC(F)(F)c1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,LVFNFNJHDVTPMX-UHFFFAOYSA-N,2,1,0.633,43,138,482.853,5.5,5,0.329,0.82,1.0,0.967711260365979,0.9758584058666301,0.9818638201631142,0.966888835583579,0.9730805804948257
EOS-2-38256,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1noc(=O)n1C,WHLDJSADMPECBV-UHFFFAOYSA-N,2,1,0.65,43,718,482.859,3.525,5,0.361,0.73,1.0,0.7337742443972312,0.6783548077582071,0.5819169350969776,0.5531834692618738,0.6368073641285725
EOS-2-38257,Cc1c(F)c(=O)nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)n1O,NJBXSXXPPNWOIK-UHFFFAOYSA-N,2,1,0.495,36,32,482.863,2.666,5,0.379,0.59,0.2,0.5060139812213008,0.6588393530258378,0.1741827153724899,0.23272051264478102,0.39293914056610246
EOS-2-38258,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)n4)n23)ccc1-c1n[nH]c(=O)n1C,DAABQVMNKLPDAQ-UHFFFAOYSA-N,2,1,0.46,4,718,482.863,2.655,5,0.366,0.56,1.0,0.5240816256596532,0.5488486053046399,0.3681207593722157,0.34214584332807896,0.44579920841614695
EOS-2-38259,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1nc(C)no1,MPUYTWJQHQZOOL-UHFFFAOYSA-N,2,1,0.429,49,773,482.863,3.362,5,0.318,0.65,0.999,0.6251370707970667,0.44923240353642657,0.22175484887944624,0.1922246590363923,0.37208724556233297
EOS-2-38260,COc1nc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)ccc1-c1noc(C)n1,LLKMGTWTVILVEL-UHFFFAOYSA-N,2,1,0.414,49,896,482.863,3.362,5,0.318,0.59,0.999,0.7030703858542937,0.530044205332054,0.18376910424234116,0.17548488794462339,0.398092145843328
EOS-2-38261,CCOc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c(F)cc1-c1nnc(C)o1,ZSCHNJZSWJNACL-UHFFFAOYSA-N,2,1,0.37,53,565,482.863,3.71,5,0.317,0.56,0.999,0.5629411966280584,0.502912754437667,0.19715920773079296,0.19223322596120895,0.3638115961894318
EOS-2-38262,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1cc(=O)[nH]n1C,GDTQSYHQQNKJNW-UHFFFAOYSA-N,2,1,0.398,16,379,482.863,2.655,5,0.366,0.54,0.997,0.5266602700294702,0.4842197244876979,0.4489325611678432,0.3779470221369337,0.4594398944554863
EOS-2-38263,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)cc1Cl,PFSSSSOXLBVSHP-UHFFFAOYSA-N,2,1,0.29,94,165,482.87,3.955,6,0.367,0.63,1.0,0.3030121307655404,0.4802104036734974,0.6044650812144473,0.6911280926598589,0.519703927078336
EOS-2-38264,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5cccc(-c6cncc(Cl)n6)c5)n34)cn2)nc1,PRWLEKSRSATTLE-UHFFFAOYSA-N,2,1,0.342,86,443,482.87,3.955,6,0.367,0.6,1.0,0.2979490781988897,0.38044856418340073,0.42355732986087313,0.509749160441368,0.40292603317113285
EOS-2-38265,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)ccc1-c1cnn(C(F)F)c1,SGGSYCHDJHIFCB-UHFFFAOYSA-N,2,1,0.558,43,623,482.878,5.291,5,0.313,0.61,1.0,0.7692070454389692,0.8515351929271469,0.9461997121513261,0.9069117949420876,0.8684634363648825
EOS-2-38266,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCCOc5ccccc5Cl)n34)cc2)n1,OHITXMHNSJKKHC-UHFFFAOYSA-N,2,1,0.558,91,431,482.878,5.161,5,0.284,0.76,1.0,0.8412634500719621,0.8515437598519635,0.9083596052361045,0.8764906449181002,0.8694143650195326
EOS-2-38267,Cn1cc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(-c2ccc(Cl)cc2)n1,MCGAVABGHVIXRA-UHFFFAOYSA-N,2,1,0.718,43,996,482.878,5.026,5,0.324,0.82,1.0,0.6453207456651361,0.8576605441710644,0.9178003563840724,0.9069203618669043,0.8319255020217943
EOS-2-38268,COc1cc(-c2nnc3cncc(-c4cn(C)nc4-c4cccc(Cl)c4)n23)ccc1OC(F)F,RUYRHSWZJLQCGW-UHFFFAOYSA-N,2,1,0.4,96,697,482.878,5.122,5,0.334,0.76,1.0,0.3135580152148585,0.5626242204098417,0.922632101980673,0.8918254403399356,0.6726599444863272
EOS-2-38269,COc1c(Cl)ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnn(C)c5)c4)n23)c1F,XDOOCXJMGDXUEA-UHFFFAOYSA-N,2,1,0.512,59,623,482.878,4.711,5,0.349,0.67,1.0,0.7458279076142827,0.8347868549105613,0.9349770406414913,0.897308272222603,0.8532250188472346
EOS-2-38270,Cn1cncc1COc1cncc2nnc(-c3cc(Cl)cc(OCc4ccc(F)c(F)c4)c3)n12,GAJNAXXWYOBIAU-UHFFFAOYSA-N,2,1,0.602,59,294,482.878,4.614,5,0.337,0.7,1.0,0.8111421424165581,0.8485539030909465,0.9334264272496745,0.9115036666438215,0.8761565348502502
EOS-2-38271,Cn1nc(-c2ccc(Cl)cc2)cc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,BWRHOZUVQGIJOK-UHFFFAOYSA-N,2,1,0.662,1,372,482.878,5.026,5,0.324,0.79,1.0,0.7001233637173601,0.907520046604071,0.914947570420122,0.9023027893907203,0.8562234425330684
EOS-2-38272,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5c(F)ccc(Cl)c5F)n34)c2)nn1C,GZVYQFRYQVHRDR-UHFFFAOYSA-N,2,1,0.511,84,35,482.882,3.843,5,0.339,0.58,1.0,0.5392622164347886,0.582370982112261,0.5355784387636214,0.5630697005003084,0.5550703344527449
EOS-2-38273,CCn1nnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)ccc(F)c5Cl)n34)cc2)n1,VCJCANQIPDUSCD-UHFFFAOYSA-N,2,1,0.576,91,803,482.882,4.018,5,0.323,0.66,1.0,0.7604430813515181,0.7878486738400384,0.511865190871085,0.594493180727846,0.6636625316976219
EOS-2-38274,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)nn1C(F)F,OWWLLNBBBZNXQF-UHFFFAOYSA-N,2,1,0.593,15,320,482.882,4.423,5,0.338,0.64,1.0,0.8366116098965115,0.8121187718456583,0.5118737577959016,0.4782057432663971,0.6597024707011172
EOS-2-38275,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4Cl)n23)nc1,GEJKPWILDVFBTC-UHFFFAOYSA-N,2,1,0.44,84,908,482.882,4.018,5,0.323,0.58,1.0,0.6112929202933315,0.6248543622781166,0.572724624768693,0.62435748063875,0.6083073469947228
EOS-2-38276,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)c(F)c1,NPICSYZCPFZXCP-UHFFFAOYSA-N,2,1,0.468,37,908,482.882,4.018,5,0.323,0.67,1.0,0.7721455006510863,0.77491261736687,0.5290418751285039,0.5790470152833939,0.6637867521074635
EOS-2-38277,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c(F)c1,GMODWWXQGNJAOT-UHFFFAOYSA-N,2,1,0.511,37,908,482.882,4.018,5,0.323,0.6,1.0,0.7864608320197382,0.8045199095332739,0.6013038859570968,0.6331128778013844,0.7063493763278732
EOS-2-38278,CCn1cc(-c2nc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)ccc2F)cn1,UPEHYHQMJGLQKW-UHFFFAOYSA-N,2,1,0.422,31,773,482.882,4.018,5,0.323,0.68,1.0,0.5009766294291002,0.4227006373792064,0.542474813241039,0.5663508327050922,0.5081257281886095
EOS-2-38279,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)nc1F,AGTUGKVCMWCFDM-UHFFFAOYSA-N,2,1,0.449,19,442,482.882,4.018,5,0.323,0.61,0.997,0.5942790076074292,0.6205194983208827,0.47357103694057984,0.5663593996299089,0.5636822356247002
EOS-2-38280,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1F,PZGIRBAITDXUTF-UHFFFAOYSA-N,2,1,0.455,20,279,482.882,3.828,5,0.331,0.67,1.0,0.7545833047769173,0.6882324720718251,0.5011736686998834,0.5500479747789734,0.6235093550818998
EOS-2-38281,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)nc2F)nn1C,OSFRGPBVQPRRGZ-UHFFFAOYSA-N,2,1,0.468,37,442,482.882,3.843,5,0.339,0.67,0.996,0.552326776780207,0.6295918717017339,0.41583853060105547,0.4813069700500308,0.5197660372832569
EOS-2-38282,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)cc1-c1ccccc1,NFPIKLLPRSRMAD-UHFFFAOYSA-N,2,1,0.473,81,177,482.891,4.531,6,0.337,0.65,1.0,0.6543759851963539,0.8082465218285244,0.5083870193955178,0.5790555822082105,0.6375162771571516
EOS-2-38283,Clc1nnc(-c2ccccn2)cc1COc1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,QIRAOOQGSVSMBT-UHFFFAOYSA-N,2,1,0.473,41,25,482.891,4.531,6,0.337,0.59,1.0,0.8458039202247961,0.7536923445959838,0.5155061339181687,0.5263861284353368,0.6603471317935714
EOS-2-38284,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5nnc(-c6ccccc6)o5)n4)n23)cc1,XVVWIZNMZQSHEN-UHFFFAOYSA-N,2,1,0.511,77,177,482.891,4.531,6,0.337,0.8,1.0,0.6850969775889246,0.8485624700157631,0.3607103694057981,0.447416215475293,0.5854465081214446
EOS-2-38285,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)o2)cc1,FSEQKQSZOSDCOQ-UHFFFAOYSA-N,2,1,0.494,28,177,482.891,4.531,6,0.337,0.79,1.0,0.5629497635528751,0.7749211842916867,0.37975464327325065,0.44079398259200875,0.5396048934274552
EOS-2-38286,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)no4)n23)cc1-c1ccccn1,NTGHXKZZKUDMQI-UHFFFAOYSA-N,2,1,0.505,28,414,482.891,4.531,6,0.337,0.73,1.0,0.6791857994654239,0.7667140703173189,0.4016088684805702,0.47233739976697964,0.5799615345075732
EOS-2-38287,Clc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)no2)nc1,VUPUAFNAFUOQFT-UHFFFAOYSA-N,2,1,0.482,12,285,482.891,4.531,6,0.337,0.74,1.0,0.6638510040435885,0.6686827496401891,0.26113700226166814,0.3745973545336166,0.4920670276197656
EOS-2-38288,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2)nn1,HTHOMHVSFBUQRW-UHFFFAOYSA-N,2,1,0.55,77,323,482.891,4.531,6,0.337,0.67,1.0,0.8316513604276609,0.7749297512165033,0.6223014186827497,0.6064526077719142,0.708833784524707
EOS-2-38289,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(-c6nnco6)c5)cn4)n23)cc1,MSQRGMHBUUTBPJ-UHFFFAOYSA-N,2,1,0.511,77,177,482.891,4.531,6,0.337,0.67,1.0,0.7604516482763347,0.8830100747035844,0.5591203481598246,0.585232335001028,0.6969536015351929
EOS-2-38290,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5nnco5)n4)n23)cc1-c1ccccc1,WWAMOUIBGWABGC-UHFFFAOYSA-N,2,1,0.495,77,177,482.891,4.531,6,0.337,0.71,0.999,0.6366081831265848,0.8238811596189431,0.4306421766842574,0.5167312041669523,0.6019656808991845
EOS-2-38291,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)o2)cc1,VSPARPZIHKECGL-UHFFFAOYSA-N,2,1,0.5,77,937,482.891,4.531,6,0.337,0.73,1.0,0.6543845521211706,0.8238897265437598,0.5256065382770201,0.5790641491330272,0.6457362415187444
EOS-2-38292,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)c2)nn1,ICWIZLISBZULIP-UHFFFAOYSA-N,2,1,0.529,77,323,482.891,4.531,6,0.337,0.69,1.0,0.7806952916181208,0.7579672400795011,0.6074292372010143,0.5974145020903296,0.6858765677472414
EOS-2-38293,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)no2)cc1,FXCZMDKZXQISHW-UHFFFAOYSA-N,2,1,0.438,28,414,482.891,4.531,6,0.337,0.67,0.997,0.3998526488931533,0.3994157357275033,0.39449832088273595,0.44742478240010963,0.4102978719758755
EOS-2-38294,COc1cc(-c2nnco2)c(Cl)cc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,CFOPRRPCYICMMA-UHFFFAOYSA-N,2,1,0.353,9,867,482.891,4.627,6,0.346,0.69,1.0,0.5883592625591118,0.5488571722294565,0.5882650263861284,0.5436913165650058,0.5672931944349257
EOS-2-38295,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1-c1nnco1,UOVGTMXHVUZPPD-UHFFFAOYSA-N,2,1,0.534,40,25,482.891,4.531,6,0.337,0.63,1.0,0.6910852580357755,0.6979987663628264,0.5915375916660955,0.6095624014803646,0.6475460043862654
EOS-2-38296,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5nnc(-c6ccccc6)o5)n4)n23)cc1,UXWZUUWZFLAXKD-UHFFFAOYSA-N,2,1,0.517,77,897,482.891,4.531,6,0.337,0.78,1.0,0.7277859639503804,0.9075286135288877,0.30148721814817353,0.3907288739634021,0.581882667397711
EOS-2-38297,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)no2)cn1,GURMLHRTEHACOU-UHFFFAOYSA-N,2,1,0.415,28,363,482.891,4.531,6,0.315,0.83,1.0,0.5159944486327188,0.577110890274827,0.3644626824754986,0.4314988691659242,0.4722667226372422
EOS-2-38298,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnco6)nc5)n34)nn2)cc1,HCJMVRLJAFNWBS-UHFFFAOYSA-N,2,1,0.477,28,177,482.891,4.531,6,0.337,0.68,0.999,0.6543931190459873,0.587399766979645,0.5526437529984237,0.5790727160578438,0.5933773387704749
EOS-2-38299,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)c2)cc1,OXJSJJBSKBEWOM-UHFFFAOYSA-N,2,1,0.438,81,218,482.891,4.531,6,0.337,0.7,0.977,0.44743334932492634,0.5117109862243849,0.48764649441436503,0.540050373517922,0.4967103008703996
EOS-2-38300,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)nn1,PDCJMJQAUOEONU-UHFFFAOYSA-N,2,1,0.483,12,285,482.891,4.531,6,0.337,0.84,1.0,0.6761873757795902,0.7620365293674183,0.33091460489342744,0.44080254951682546,0.5524852648893154
EOS-2-38301,COc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(Cl)c6)cn5)n34)cc2)o1,NRDHNVGDFDMTKL-UHFFFAOYSA-N,2,1,0.33,38,787,482.891,4.627,6,0.324,0.73,1.0,0.49341203481598245,0.5392536495099719,0.5045747378521006,0.4813155369748475,0.5046389897882256
EOS-2-38302,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccno6)n5)n34)cn2)cn1,NRVLJZJWQSZQSQ-UHFFFAOYSA-N,2,1,0.478,28,667,482.891,4.531,6,0.315,0.65,1.0,0.5009851963539168,0.6013381536563636,0.5355870056884381,0.5231649647042698,0.5402688301007471
EOS-2-38303,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5nc(-c6cncnc6)co5)n34)c2)cc1,KJYASAIDHGYTPQ-UHFFFAOYSA-N,2,1,0.462,41,868,482.891,4.531,6,0.337,0.71,1.0,0.5392707833596052,0.6637053663217052,0.5946302515249127,0.6185576725378658,0.6040410184360222
EOS-2-38304,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)no2)cc1,JVRXCJRAFQVVCN-UHFFFAOYSA-N,2,1,0.423,28,868,482.891,4.531,6,0.337,0.66,0.944,0.3890411897745185,0.39942430265231993,0.5322630388595709,0.5726389555205263,0.4733418717017339
EOS-2-38305,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)cn1,SWJCJODSIVRKRE-UHFFFAOYSA-N,2,1,0.479,77,120,482.891,4.531,6,0.315,0.78,1.0,0.5942875745322459,0.7170344733054622,0.4158470975258721,0.45988965800836135,0.5467647008429855
EOS-2-38306,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5noc(-c6ccccc6)n5)n4)n23)cc1,ZAZPRPOSGGAUTA-UHFFFAOYSA-N,2,1,0.517,28,857,482.891,4.531,6,0.337,0.78,1.0,0.6573487081077376,0.8311459118634775,0.3380851209649784,0.43478856829552465,0.5653420773079295
EOS-2-38307,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)no2)cc1,NSLGMIWLSAJMGI-UHFFFAOYSA-N,2,1,0.543,40,50,482.891,4.531,6,0.337,0.74,1.0,0.6638595709684052,0.717043040230279,0.4527705434857104,0.5033582345281338,0.5842578473031321
EOS-2-38308,Cc1nnc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c(Cl)c2)o1,QRCHEYMIQHIYBK-UHFFFAOYSA-N,2,1,0.366,30,363,482.891,5.052,6,0.332,0.77,1.0,0.5343019669659379,0.553149201562607,0.38719930093893495,0.40923343156740455,0.4709709752587211
EOS-2-38309,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,JNLMKGDFVZFYAI-UHFFFAOYSA-N,2,1,0.373,9,340,482.891,4.627,6,0.346,0.75,1.0,0.6083715989308478,0.5212117058460695,0.6132033445274484,0.572647522445343,0.5788585429374271
EOS-2-38310,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)o5)n34)nc2)cn1,MUHLUSNAPFHBLH-UHFFFAOYSA-N,2,1,0.309,3,641,482.891,4.627,6,0.346,0.78,0.997,0.40386196970735383,0.52563223905147,0.4631622232883284,0.4753529573024467,0.4670023473373997
EOS-2-38311,Clc1cncc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccc6)o5)n34)nc2)c1,INSUNXPDXQTOLG-UHFFFAOYSA-N,2,1,0.406,28,177,482.891,4.531,6,0.337,0.74,1.0,0.45683983277362755,0.5212202727708861,0.3834898224933178,0.45668562812692753,0.4545588890411898
EOS-2-38312,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccnc(Cl)n4)cc3)n12,MUWLYPZOQVPTDY-UHFFFAOYSA-N,2,1,0.349,9,152,482.891,4.627,6,0.324,0.69,1.0,0.6224042217805497,0.507478925364951,0.6132119114522651,0.5467411417997395,0.5724590500993763
EOS-2-38313,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cn2)cn1,OPSNHRGTDTUIIL-UHFFFAOYSA-N,2,1,0.477,77,323,482.891,4.531,6,0.315,0.72,1.0,0.7308357891851142,0.7170516071550956,0.6431875813857858,0.6185662394626825,0.6774103042971695
EOS-2-38314,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cc2)cn1,MDVKEGIDHFVANR-UHFFFAOYSA-N,2,1,0.474,81,609,482.891,4.531,6,0.315,0.68,1.0,0.559959906791858,0.6109502433006648,0.5458844493180728,0.5531920361866904,0.5674966588993215
EOS-2-38315,Clc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nc2)nn1,WECBWNQNWPWBFF-UHFFFAOYSA-N,2,1,0.5,40,868,482.895,3.456,6,0.351,0.63,1.0,0.26536906312110203,0.41823726954972246,0.4419248166678089,0.4347971352203413,0.3900820711397437
EOS-2-38316,Clc1ccc(-n2ncnc2COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cc1,IFNVCSDGNZDDSD-UHFFFAOYSA-N,2,1,0.412,6,414,482.895,3.456,6,0.351,0.67,0.991,0.4197536152422726,0.5029213213624837,0.2179597011856624,0.2771742855184703,0.3544522308272222
EOS-2-38317,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nc5)n34)cc2)nn1,DOCKBBRRJOLPBM-UHFFFAOYSA-N,2,1,0.484,81,2,482.895,3.456,6,0.351,0.7,1.0,0.5343105338907546,0.43633918168734154,0.43065074360907407,0.41554725515728874,0.4542119285861147
EOS-2-38318,Clc1cnc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,BEPHPHWYDAIHNT-UHFFFAOYSA-N,2,1,0.42,81,763,482.895,3.661,6,0.377,0.56,1.0,0.6668408608046056,0.6734545267630732,0.27191419368103625,0.3260914262216435,0.4845752518675896
EOS-2-38319,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nc5)n34)cc2)cn1,FAHDNIVJBZEZBC-UHFFFAOYSA-N,2,1,0.479,40,2,482.895,3.456,6,0.351,0.64,0.998,0.45907580015077787,0.42706120211089027,0.4419333835926256,0.4155558220821054,0.4359065519840998
EOS-2-38320,Clc1nc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)ccc1-c1cncnc1,KTNRNHISCMCZRJ-UHFFFAOYSA-N,2,1,0.4,80,868,482.895,3.456,6,0.328,0.61,0.997,0.36363169076828183,0.3804571311082174,0.4595212802412446,0.4375728188609417,0.41029573024467136
EOS-2-38321,Cn1nnnc1-c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cc1,DSYPRZTWJKMJEK-UHFFFAOYSA-N,2,1,0.471,67,622,482.895,3.885,6,0.36,0.8,1.0,0.6308854773490508,0.7921749708724556,0.3309231718182441,0.40572099239257076,0.5399261531080803
EOS-2-38322,COc1ncc(-c2cccc(-c3nnc4cncc(-c5cnn(-c6nccc(Cl)n6)c5)n34)c2)cn1,ODWAQKACFDVCRE-UHFFFAOYSA-N,2,1,0.289,42,151,482.895,3.553,6,0.339,0.67,1.0,0.053680350901240494,0.1660098690973888,0.2833938729353711,0.27398738948666984,0.19426787060516754
EOS-2-38323,Clc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cc4)n23)cnc1-c1cncnc1,YVYGANNWPPQMPV-UHFFFAOYSA-N,2,1,0.457,6,247,482.895,3.456,6,0.351,0.71,1.0,0.37060516756904943,0.38046569803303404,0.4876550613391817,0.48732951819614834,0.4315138612843534
EOS-2-38324,Clc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)ccn1,NMYREVHPEMHXBT-UHFFFAOYSA-N,2,1,0.43,56,518,482.895,3.661,6,0.353,0.71,1.0,0.7153724898910288,0.6542988828730039,0.41953944212185595,0.41556438900692205,0.5511938009732027
EOS-2-38325,Clc1nccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nc5)n34)cc2)n1,AXBUEPRXTWSWSB-UHFFFAOYSA-N,2,1,0.474,40,2,482.895,3.456,6,0.328,0.71,1.0,0.46628915084641215,0.4042217805496539,0.4270697690357069,0.3935987937769858,0.4227948735521897
EOS-2-38326,Clc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cn1,BWONTDRKWZAFLJ-UHFFFAOYSA-N,2,1,0.406,40,350,482.895,3.661,6,0.353,0.62,1.0,0.5883678294839284,0.6637139332465218,0.4195480090466726,0.40924199849222126,0.520217942567336
EOS-2-38327,Clc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)ccn2)nn1,BEJKMZQMNVCBOP-UHFFFAOYSA-N,2,1,0.462,81,611,482.895,3.661,6,0.377,0.71,1.0,0.7366698649852649,0.6783633746830238,0.41955657597148927,0.4125316976218217,0.5617803783153998
EOS-2-38328,Clc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)nn2)cc1,GXDQAOMCCRJYKN-UHFFFAOYSA-N,2,1,0.51,6,280,482.895,3.456,6,0.351,0.73,1.0,0.14155986567061887,0.32258755397162636,0.38349838941813447,0.4408111164416421,0.3221142313755055
EOS-2-38329,Clc1nc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nnc1-c1ccccc1,POMKGGMPNTVAID-UHFFFAOYSA-N,2,1,0.436,67,611,482.895,3.661,6,0.377,0.54,1.0,0.7001319306421767,0.6588479199506545,0.1971677746556096,0.2683674868069358,0.4561287780138441
EOS-2-38330,Clc1nnccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nn1,HMKQIJUNTIRJPI-UHFFFAOYSA-N,2,1,0.43,81,763,482.895,3.661,6,0.377,0.46,1.0,0.6196799396888493,0.7215406757590296,0.3982420670276198,0.4220752518675896,0.540384483585772
EOS-2-38331,Clc1ccc(-n2ncnc2COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)cc1,JAICJIVDBHDMNX-UHFFFAOYSA-N,2,1,0.417,6,868,482.895,3.456,6,0.351,0.64,0.999,0.3976595161400864,0.5117195531492016,0.3309317387430608,0.387225001713385,0.40688395243643344
EOS-2-38332,Cn1nc(-c2ccc(Cl)nn2)cc1Oc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,BGLPIUPAYYBWSP-UHFFFAOYSA-N,2,1,0.379,67,622,482.895,3.885,6,0.36,0.69,1.0,0.5111198684120348,0.5531577684874237,0.33094030566787747,0.33600335823452815,0.43280532520046605
EOS-2-38333,Clc1ccccc1-n1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)nn1,UWQSABCXYNXVPJ-UHFFFAOYSA-N,2,1,0.485,6,280,482.895,3.456,6,0.351,0.62,1.0,0.18034233431567404,0.30740696319649097,0.34176889863614557,0.4186998834898225,0.31205451990953326
EOS-2-38334,Clc1c[nH]nc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)nc1,HKHCFXXZQCGBBL-UHFFFAOYSA-N,2,1,0.408,80,843,482.895,3.661,6,0.377,0.63,0.98,0.5212459735453362,0.5671475567130423,0.34959050099376326,0.3746059214584333,0.4531474881776437
EOS-2-38335,Clc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cn1,OTIHELXWSRRALB-UHFFFAOYSA-N,2,1,0.418,40,763,482.895,3.661,6,0.353,0.52,1.0,0.6251456377218834,0.7215492426838462,0.3721300801864163,0.41870845041463917,0.5343833527516962
EOS-2-38336,Clc1cccc(-n2nnnc2COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,DNBOUZLBTOWPRC-UHFFFAOYSA-N,2,1,0.442,40,807,482.895,3.456,6,0.351,0.68,1.0,0.48606161332328146,0.5874083339044617,0.3161880611335755,0.43758138578575834,0.4568098485367692
EOS-2-38337,Clc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)nc1,SQUOCAOITOVWLM-UHFFFAOYSA-N,2,1,0.489,40,425,482.895,3.661,6,0.377,0.67,1.0,0.5942961414570626,0.6109588102254815,0.2941539305051059,0.3010845726817901,0.45012336371736
EOS-2-38338,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)nc1,CCBQLJXIIAATDQ-UHFFFAOYSA-N,2,1,0.38,67,622,482.895,3.885,6,0.36,0.76,1.0,0.5573469947227743,0.5439054896854225,0.34550407785621273,0.3518093345212802,0.4496414741964224
EOS-2-38339,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c(Cl)c1,IZTJBTHOBAKOAX-UHFFFAOYSA-N,2,1,0.444,6,870,482.895,3.885,6,0.36,0.65,1.0,0.46849941744911244,0.5300527722568706,0.3872078678637516,0.39968987732163663,0.4463624837228428
EOS-2-38340,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnn(-c6ccccc6)n5)nn4)n23)cc1,SFOHHRZFLMADOY-UHFFFAOYSA-N,2,1,0.506,81,807,482.895,3.456,6,0.351,0.63,1.0,0.5111284353368515,0.7309128915084642,0.18042800356384073,0.2831625659653211,0.4264079740936194
EOS-2-38341,Clc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,FKCDREXLXUSDHD-UHFFFAOYSA-N,2,1,0.429,56,425,482.895,3.661,6,0.353,0.68,1.0,0.5741038996641765,0.6061099307792475,0.42707833596052364,0.4187170173394558,0.5065022959358508
EOS-2-38342,Clc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)nn1,FMHUTXGPHHZNGJ-UHFFFAOYSA-N,2,1,0.404,81,763,482.895,3.661,6,0.377,0.6,1.0,0.5971060927969296,0.6109673771502981,0.36071893633061475,0.39073744088821877,0.4898824617915153
EOS-2-38343,Cc1c(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(Cl)nn6)n5)n34)cn2)cnn1C,HZTXEMYTKRPKES-UHFFFAOYSA-N,2,1,0.311,99,719,482.899,2.858,6,0.368,0.69,0.38,0.11968850661366597,0.210103831128778,0.08599479130971147,0.114993831814132,0.13269524021657186
EOS-2-38344,Fc1cccc(COc2cncc3nnc(-c4cccc5ncc(-c6ccc(Cl)cc6)nc45)n23)c1,JSKRMVWCJJRZFG-UHFFFAOYSA-N,2,1,0.565,57,709,482.906,5.773,6,0.31,0.8,1.0,0.8683949009663491,0.934651497498458,0.8646682886710986,0.9069289287917209,0.8936609039819067
EOS-2-38345,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)cc1Cl,RYEQATJMKZWQDO-UHFFFAOYSA-N,2,1,0.639,77,994,482.906,5.773,6,0.31,0.6,1.0,0.9656637653347955,0.9694075114796793,0.9205589061750394,0.932329860873141,0.9469900109656637
EOS-2-38346,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cc5ccccc5nn4)cc3)n12,KYVGVAQQKLYCDD-UHFFFAOYSA-N,2,1,0.5,77,897,482.906,5.773,6,0.31,0.55,1.0,0.9463110821739429,0.958013501473511,0.9129343430882051,0.9306850113083408,0.9369859845109999
EOS-2-38347,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)cc5)n34)c(F)c2)o1,NAJGVGLDKOLSGA-UHFFFAOYSA-N,2,1,0.351,69,30,482.906,6.276,6,0.275,0.69,1.0,0.40830820368720444,0.5671561236378589,0.9205674730998561,0.9191367966554725,0.703792149270098
EOS-2-38348,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc6ccccc6n5)n34)cn2)c(Cl)c1,RWFGSUKSNIMGGX-UHFFFAOYSA-N,2,1,0.479,57,891,482.906,5.773,6,0.31,0.82,1.0,0.8188780755260092,0.9157271605784387,0.8768418888355836,0.9046929614145707,0.8790350215886507
EOS-2-38349,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(Cl)c(F)c6)cc5)n34)cc2)o1,CBUBOWDCNGOHJB-UHFFFAOYSA-N,2,1,0.338,69,645,482.906,6.276,6,0.275,0.66,1.0,0.3890497566993352,0.5392622164347886,0.9168579946542389,0.9115122335686382,0.6891705503392502
EOS-2-38350,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6n[nH]c(Cl)n6)cc5)n34)cc2)cc1F,NFBOKIDSLAQUSG-UHFFFAOYSA-N,2,1,0.298,9,834,482.91,5.406,6,0.361,0.71,1.0,0.32591152080049346,0.4448718388047426,0.7966040710026728,0.8051195942704407,0.5931267562195874
EOS-2-38351,Cn1c(-c2ccc(Cl)cc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cn3)n12,FKKQSNISYVSJFI-UHFFFAOYSA-N,2,1,0.36,3,950,482.91,5.108,6,0.347,0.83,0.996,0.15827393598793776,0.49850078815708315,0.5979028168048797,0.7660801178808855,0.5051894147076965
EOS-2-38352,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)c(F)c5)cc4)n23)c1,JZOCSMPUYKCRTJ-UHFFFAOYSA-N,2,1,0.347,3,774,482.91,5.108,6,0.347,0.76,1.0,0.2545147693783839,0.4136453978479885,0.8298608731409773,0.8708536083887328,0.5922186621890206
EOS-2-38353,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c(Cl)cc2F)n1,RTMGKLMCCDJQHL-UHFFFAOYSA-N,2,1,0.36,93,228,482.91,5.108,6,0.347,0.7,1.0,0.2842077307929546,0.4985093550818998,0.7292166403947639,0.8258772531012268,0.5844527448427113
EOS-2-38354,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)c(Cl)c1,SRWFZLPCRITYEX-UHFFFAOYSA-N,2,1,0.351,9,642,482.91,5.108,6,0.324,0.7,1.0,0.2466931670207662,0.3945068878075526,0.8184668631348091,0.8528030978000137,0.5781175039407854
EOS-2-38355,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)c(-c2ccc(F)cc2)n1,OJAIIDLQHPYFNP-UHFFFAOYSA-N,2,1,0.346,32,192,482.91,5.108,6,0.324,0.84,1.0,0.14706839832773627,0.38980364608320195,0.7680162428894524,0.8161880611335754,0.5302690871084915
EOS-2-38356,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cc3)n12,PCTAACKNORAFLS-UHFFFAOYSA-N,2,1,0.405,3,550,482.91,5.108,6,0.324,0.69,1.0,0.18035090124049072,0.5256408059762867,0.6370022616681515,0.7781337810979371,0.5302819374957165
EOS-2-38357,Fc1ccc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1Cl,QELNMCJSWMMFEE-UHFFFAOYSA-N,2,1,0.413,93,689,482.91,4.953,6,0.345,0.81,1.0,0.27858782811322047,0.4492409704612432,0.6279384552121171,0.7942910013021726,0.5375145637721883
EOS-2-38358,Cc1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)c(-c2cccc(F)c2)n1,VFGDUWVBXBCOTP-UHFFFAOYSA-N,2,1,0.323,3,317,482.91,5.202,6,0.321,0.71,1.0,0.02052635186073607,0.23531629086423136,0.6768470289904736,0.745305325200466,0.41949874922897673
EOS-2-38359,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ccccc5F)c4)n23)c1,VKRGGEYJOIIVFB-UHFFFAOYSA-N,2,1,0.364,25,228,482.91,5.108,6,0.347,0.76,1.0,0.26276471797683504,0.48889726543759854,0.7632444657665685,0.8559471592077308,0.5927134020971832
EOS-2-38360,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)nc5-c5ccc(F)cc5)n34)nc2)n1,NXHLCCRCZNTDHE-UHFFFAOYSA-N,2,1,0.35,32,572,482.91,5.108,6,0.324,0.72,1.0,0.2521588650538003,0.4363477486121582,0.7241193201288465,0.7731392639298198,0.5464412994311563
EOS-2-38361,Cn1nccc1-c1cc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ncccc5F)cc4)n23)cn1,VIVHRYMNCUGSPN-UHFFFAOYSA-N,2,1,0.338,3,192,482.91,5.108,6,0.347,0.63,1.0,0.2111232951819615,0.3515266260023302,0.768024809814269,0.8008275649372901,0.5328755739839627
EOS-2-38362,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccn(-c6ccc(Cl)nc6)n5)n34)cc2)ccc1F,ZVUGFQUTOKJYRU-UHFFFAOYSA-N,2,1,0.303,3,787,482.91,5.202,6,0.321,0.63,1.0,0.018521691453635802,0.26091426221643477,0.7562795558906175,0.7731478308546365,0.4522158351038311
EOS-2-38363,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)c(F)c6)cc5)n34)nn2)cn1,LENUQEYHLAMCIG-UHFFFAOYSA-N,2,1,0.361,3,74,482.91,5.108,6,0.347,0.71,1.0,0.23018470289904736,0.42270920430402303,0.8445103145774793,0.8708621753135495,0.5920665992735248
EOS-2-38364,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c1-c1ccc(F)cc1Cl,AWQKLCQDGHXVNO-UHFFFAOYSA-N,2,1,0.297,42,957,482.91,5.108,6,0.347,0.64,1.0,0.09660064423274621,0.3023182098553903,0.7796843944897539,0.8339130285792612,0.5031290692892879
EOS-2-38365,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)c1,GNGISCWHLHPXGZ-UHFFFAOYSA-N,2,1,0.38,25,228,482.91,5.108,6,0.347,0.83,1.0,0.2571105475978343,0.5300613391816873,0.772642382290453,0.8675553423343156,0.6068424028510726
EOS-2-38366,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(Cl)c(F)c4)n23)cc1,GCRYWBRZUIKODJ-UHFFFAOYSA-N,2,1,0.329,9,98,482.91,5.108,6,0.347,0.73,1.0,0.2785963950380371,0.39451545473236926,0.7422554999657323,0.7987029675827565,0.5535175793297238
EOS-2-38367,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c(F)n2)cn1,AKWMKVNCGSQWNU-UHFFFAOYSA-N,2,1,0.329,3,787,482.91,5.108,6,0.324,0.68,1.0,0.22472757179082997,0.3366287437461449,0.7657631416626688,0.7848673840038379,0.5279967103008704
EOS-2-38368,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)c1,JBZALPBLULWDJL-UHFFFAOYSA-N,2,1,0.354,93,228,482.91,5.108,6,0.347,0.78,1.0,0.27860496196285384,0.5392707833596052,0.742264066890549,0.8492563909259132,0.6023490507847302
EOS-2-38369,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)c(-c6ccc(F)cc6)c5)n34)c2)n1,CZXCFQWJJRRKEP-UHFFFAOYSA-N,2,1,0.377,83,228,482.91,5.108,6,0.347,0.73,1.0,0.27559797135220343,0.5439140566102392,0.7796929614145707,0.8578404495922144,0.6142613597423069
EOS-2-38370,Cn1nc(-c2cccnc2)nc1-c1cncc2nnc(-c3ccc(Cl)c(-c4ccc(F)cc4)c3)n12,ASSQZUJIVPMCHB-UHFFFAOYSA-N,2,1,0.377,3,192,482.91,5.108,6,0.347,0.73,1.0,0.16639538071413884,0.49366047563566584,0.6431961483106025,0.7731563977794531,0.5191021006099651
EOS-2-38371,Cn1nc(-c2nnnn2C(C)(C)C)cc1COc1cncc2nnc(-c3cccc(Cl)c3F)n12,SZFRMBKHAZMWJC-UHFFFAOYSA-N,2,1,0.432,36,404,482.911,3.305,5,0.375,0.62,1.0,0.3682749640189158,0.5823795490370777,0.09784284833116305,0.09329381125351244,0.2854477931601672
EOS-2-38372,Cc1nc(-c2cncc(F)c2)sc1COc1cncc2nnc(-c3ccc(Cl)c(CO)c3)n12,RZFUHDRLFPCXGJ-UHFFFAOYSA-N,2,1,0.478,16,772,482.928,4.482,5,0.381,0.64,1.0,0.7891080117880885,0.7878572407648551,0.6103848262627647,0.6390154890000685,0.7065913919539442
EOS-2-38373,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1cscn1,BUGBYRFEMIOPMW-UHFFFAOYSA-N,2,1,0.588,49,703,482.928,4.732,5,0.331,0.63,0.999,0.8242495373860599,0.7309214584332808,0.6432047152354191,0.6031029401685971,0.7003696628058392
EOS-2-38374,COc1cc(-c2nnc3cncc(OCc4ccc(-c5nnsc5C)cc4F)n23)ccc1Cl,KMURRBKNUHCBNQ-UHFFFAOYSA-N,2,1,0.529,43,67,482.928,4.998,5,0.336,0.71,1.0,0.7545918717017339,0.8415889932149956,0.7447227743129327,0.7160492769515455,0.7642382290453019
EOS-2-38375,COc1ncc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5F)c(Cl)c4)n23)s1,XNBIQZLEULLFTE-UHFFFAOYSA-N,2,1,0.557,35,919,482.928,4.732,5,0.31,0.67,1.0,0.7780652456994037,0.8311544787882942,0.5658282502912755,0.5566787745870743,0.6829316873415119
EOS-2-38376,COc1cc(-c2nnc3cncc(OCc4sc(C)nc4-c4ccc(F)nc4)n23)ccc1Cl,ZLWPZNFVFSLSEB-UHFFFAOYSA-N,2,1,0.489,97,67,482.928,4.998,5,0.315,0.68,1.0,0.8292269207045438,0.8515523267767802,0.607437804125831,0.5726560893701597,0.7152182852443287
EOS-2-38377,COc1cc(-c2nnc3cncc(OCc4sc(C)nc4-c4cncc(F)c4)n23)ccc1Cl,NMBMQEUBPLOCKK-UHFFFAOYSA-N,2,1,0.484,16,67,482.928,4.998,5,0.336,0.68,1.0,0.8292354876293606,0.8311630457131108,0.5979113837296964,0.582216777465561,0.7101316736344322
EOS-2-38378,COc1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1nncs1,FWCBQWKUHTXCPK-UHFFFAOYSA-N,2,1,0.57,91,803,482.928,4.732,5,0.331,0.69,1.0,0.8684034678911657,0.9005465698033034,0.7110119251593447,0.6881810705229251,0.7920357583441847
EOS-2-38379,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ncccc1F,TZIMBNYLRULJMV-UHFFFAOYSA-N,2,1,0.454,49,501,482.928,4.732,5,0.331,0.61,1.0,0.8528802001233637,0.7356504009320814,0.4561973134123775,0.459898224933178,0.6261565348502502
EOS-2-38380,COc1cc(-c2nnc3cncc(OCCc4c(F)cncc4Cl)n23)ccc1-c1nccs1,HDSHGDCRZOZITQ-UHFFFAOYSA-N,2,1,0.529,35,559,482.928,4.732,5,0.331,0.71,1.0,0.8528887670481804,0.8311716126379275,0.6657014598039888,0.6185748063874992,0.742084161469399
EOS-2-38381,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cncc(F)c1,OKKXYJWJFVCYFK-UHFFFAOYSA-N,2,1,0.41,49,501,482.928,4.732,5,0.331,0.68,0.998,0.8458124871496128,0.7215578096086629,0.5623072441916249,0.55005654170379,0.6699335206634226
EOS-2-38382,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1-c1cscn1,MONKKMVNOKPNAZ-UHFFFAOYSA-N,2,1,0.588,49,703,482.928,4.732,5,0.331,0.65,0.999,0.8242581043108765,0.7356589678568981,0.6432132821602358,0.6064611746967309,0.7023978822561853
EOS-2-38383,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1-c1ncc(F)cn1,URTONPCDLQMIJX-UHFFFAOYSA-N,2,1,0.544,15,467,482.928,4.732,5,0.331,0.74,1.0,0.940579809471592,0.8751456377218834,0.5851637996024946,0.5467497087245562,0.7369097388801316
EOS-2-38384,Cn1c(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)cnc1COc1ccccc1,CCBRRIKNDPCJQF-UHFFFAOYSA-N,2,1,0.383,30,126,482.931,5.684,6,0.303,0.75,1.0,0.48853745459529846,0.5823881159618943,0.6576828181755877,0.6855595915290248,0.6035419950654514
EOS-2-38385,CNCc1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)ccn2)s1,DBUIIRBZXWYJAT-UHFFFAOYSA-N,2,1,0.456,2,980,482.932,3.796,5,0.373,0.66,1.0,0.45684839969844426,0.3994328695771366,0.4158556644506888,0.4283719416078404,0.4251272188335275
EOS-2-38386,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)n6C)o5)n34)c(Cl)c2)n1,IEBWABDKKLVCKL-UHFFFAOYSA-N,2,1,0.329,76,750,482.935,5.179,6,0.341,0.76,0.78,0.1859708039202248,0.2714173120416695,0.32343567952847646,0.37461448838324996,0.2888595709684052
EOS-2-38387,Cn1ncc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)c1-c1ccc(Cl)cc1,GOHKRSHMATUSPN-UHFFFAOYSA-N,2,1,0.547,77,933,482.935,4.61,6,0.344,0.72,1.0,0.3520920430402303,0.4626739085737784,0.6193972311698992,0.6448409978754026,0.5197510451648276
EOS-2-38388,Clc1c(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cnn1-c1ccccc1,XMBWTFRLAUNHGQ-UHFFFAOYSA-N,2,1,0.506,77,763,482.935,4.642,6,0.356,0.57,1.0,0.8216794599410595,0.7620450962922349,0.5118823247207183,0.5726646562949763,0.6670678843122473
EOS-2-38389,CCn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)c1Cl,ZOAOHNMMLNNKHC-UHFFFAOYSA-N,2,1,0.325,98,882,482.939,4.186,6,0.363,0.68,1.0,0.18035946816530737,0.2101123980535947,0.26835891988211913,0.30109313960660683,0.239980981426907
EOS-2-38390,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5Cl)n34)nc2)n1C,ICRQKJGOIKZUIF-UHFFFAOYSA-N,2,1,0.329,98,314,482.939,4.011,6,0.374,0.7,1.0,0.21113186210677815,0.28162908642313755,0.319914673428826,0.3326622575560277,0.2863344698786923
EOS-2-38391,Cc1nc(-c2ccc(Cl)cn2)c(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)n1C,CORHPUAUFOZDHO-UHFFFAOYSA-N,2,1,0.273,70,813,482.939,4.011,6,0.374,0.53,0.999,0.1388355835789185,0.21508978137207868,0.1547786306627373,0.20647145500651087,0.17879386265506134
EOS-2-38392,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5Cl)n34)cn2)n1C,NYODQXFWHMWXCJ-UHFFFAOYSA-N,2,1,0.325,98,42,482.939,4.011,6,0.374,0.77,1.0,0.1772411075320403,0.24085052429579878,0.1937924062778425,0.2471814817353163,0.21476637996024947
EOS-2-38393,CCn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3c(-c4ccccc4)ncn3C)n12,CCTGTLCGIOHLIS-UHFFFAOYSA-N,2,1,0.282,8,474,482.939,4.186,6,0.339,0.67,0.469,0.07388115961894319,0.1583767390857378,0.037908642313755056,0.11953430196696593,0.0974252107463505
EOS-2-38394,Clc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)s1,PEZYTKBDXXHRCA-UHFFFAOYSA-N,2,1,0.426,41,427,482.956,6.423,6,0.282,0.76,1.0,0.7546004386265506,0.7957473785210061,0.7840706599958879,0.7848759509286547,0.7798236070180249
EOS-2-38395,COc1nc(-c2nnc3cncc(OCCc4scnc4Cl)n23)ccc1-c1cnc(C)n1C,NSXZHQIHNWPUBV-UHFFFAOYSA-N,2,1,0.421,31,456,482.957,3.635,5,0.346,0.48,0.997,0.43333219107669113,0.38047426495785075,0.06798711534507573,0.05245528065245699,0.23356221300801866
EOS-2-38396,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(Cl)cn6)cc5)n34)cc2)s1,BLKHNESLKGJATG-UHFFFAOYSA-N,2,1,0.361,9,894,482.96,5.396,6,0.332,0.65,1.0,0.12242135563018298,0.31776437529984236,0.4908333904461654,0.5400589404427387,0.36776951545473235
EOS-2-38397,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6Cl)s5)n34)cn2)n1,MSWSQJYJJSZQJV-UHFFFAOYSA-N,2,1,0.337,30,541,482.96,5.396,6,0.332,0.68,0.488,0.14156843259543556,0.36113871564663147,0.3380936878897951,0.45032040298814335,0.3227803097800014
EOS-2-38398,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)s4)n23)nc1,KFLCMLNJDOFMAH-UHFFFAOYSA-N,2,1,0.293,76,368,482.96,5.396,6,0.31,0.68,0.296,0.1636967993968885,0.302326776780207,0.41586423137550543,0.4440065793982592,0.33147359673771504
EOS-2-38399,Cc1nnsc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)c(Cl)c1,YDHWJZWCGDHSHL-UHFFFAOYSA-N,2,1,0.355,42,553,482.96,5.396,6,0.332,0.66,1.0,0.09660921115756288,0.2714258789664862,0.41587279830032214,0.5263946953601535,0.3275756459461312
EOS-2-38400,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cc2Cl)s1,MCJHMTHEJJFTIQ-UHFFFAOYSA-N,2,1,0.344,32,20,482.96,5.396,6,0.332,0.7,1.0,0.17162977177712288,0.33663731067096153,0.4235658967856898,0.5065622644095675,0.35959881091083545
EOS-2-38401,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccc2F)c(C)n1,KIVFMIPBSJBIAB-UHFFFAOYSA-N,2,1,0.489,37,639,482.972,5.459,5,0.308,0.82,1.0,0.5913576862449456,0.7079278322253444,0.5658368172160921,0.572673223219793,0.6094488897265438
EOS-2-38402,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)n1,OLYQKESFDMAAHV-UHFFFAOYSA-N,2,1,0.704,43,909,416.872,4.424,5,0.424,0.81,1.0,0.8571807963813309,0.9075371804537044,0.7902474127887054,0.7848845178534714,0.8349624768693029
EOS-2-38403,COc1ccccc1-c1nnc2cncc(-c3c(-c4ccc(Cl)cc4)cnn3C)n12,CTMXAGLHEXAACZ-UHFFFAOYSA-N,2,1,0.494,96,697,416.872,4.521,5,0.43,0.74,0.999,0.22473613871564663,0.4087708176273045,0.6605184702899047,0.6911366595846755,0.49629052155438286
EOS-2-38404,Cn1ccnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,OMNGTKXDCGBMHE-UHFFFAOYSA-N,2,1,0.676,43,521,416.872,4.424,5,0.424,0.75,1.0,0.9222637242135563,0.8779213213624837,0.7394369817010485,0.7453138921252828,0.8212339798505929
EOS-2-38405,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,TXUVDXSNXHZGGL-UHFFFAOYSA-N,2,1,0.676,43,623,416.872,4.424,5,0.424,0.79,1.0,0.7692156123637859,0.8804314303337674,0.8278476458090603,0.8258858200260435,0.8258451271331643
EOS-2-38406,Cn1cc(-c2ccccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,QQXILSYKMSRLQO-UHFFFAOYSA-N,2,1,0.653,43,623,416.872,4.424,5,0.424,0.84,1.0,0.852897333972997,0.8937701322733191,0.805008224247824,0.8094030566787745,0.8402696867932288
EOS-2-38407,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,LVOKPJZZBPKLEQ-UHFFFAOYSA-N,2,1,0.714,43,230,416.872,4.424,5,0.424,0.78,1.0,0.9542526214789939,0.9029110410527037,0.7562881228154342,0.7582499485984511,0.8429254334863957
EOS-2-38408,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)cc2)cn1,ZDKSSHJQQHEFIM-UHFFFAOYSA-N,2,1,0.699,43,322,416.872,4.424,5,0.424,0.84,1.0,0.7216863134809129,0.7708261942293194,0.8366458775957782,0.8258943869508601,0.7887631930642177
EOS-2-38409,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,IJSJISZCYXBXLM-UHFFFAOYSA-N,2,1,0.658,43,230,416.872,4.518,5,0.421,0.81,1.0,0.8707422383661161,0.8045284764580906,0.8091117812350079,0.7896562949763553,0.8185096977588925
EOS-2-38410,Cn1cc(-c2ccc(COc3cncc4nnc(-c5cccc(Cl)c5)n34)cc2)cn1,QSXWHZASHCXXJD-UHFFFAOYSA-N,2,1,0.597,43,322,416.872,4.424,5,0.424,0.79,1.0,0.5316205194983209,0.712579672400795,0.8242666712356932,0.8161966280583921,0.7211658727983002
EOS-2-38411,Cc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)ccc1Cl,GRYDFRPVBROOPY-UHFFFAOYSA-N,2,1,0.59,43,230,416.872,4.518,5,0.421,0.77,1.0,0.5629583304776917,0.6832208210540744,0.8203858542937427,0.8029607292166404,0.7173814337605373
EOS-2-38412,Cc1cccn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,KCSVGNVQUWJYPD-UHFFFAOYSA-N,2,1,0.608,4,850,416.872,4.518,5,0.421,0.74,1.0,0.7153810568158454,0.8275906380645603,0.7562966897402509,0.7427952162291823,0.7605159002124597
EOS-2-38413,COc1cc(-c2cc(C)[nH]n2)ccc1-c1cncc2nnc(-c3ccccc3Cl)n12,KTMUEQDIQUBYPB-UHFFFAOYSA-N,2,1,0.387,96,697,416.872,4.819,5,0.454,0.8,0.999,0.3591683229387979,0.4492495373860599,0.7657717085874854,0.7504369131656501,0.5811566205194982
EOS-2-38414,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,WRZDOIDZKWQGFG-UHFFFAOYSA-N,2,1,0.712,91,273,416.872,4.456,5,0.442,0.73,1.0,0.9593842094441779,0.9541755191556439,0.7657802755123021,0.7987115345075732,0.8695128846549243
EOS-2-38415,COc1cc(-c2nnc3cncc(-c4cnn(C)c4-c4ccccc4)n23)ccc1Cl,VLUUUAUJSVJMHL-UHFFFAOYSA-N,2,1,0.357,96,697,416.872,4.521,5,0.43,0.72,1.0,0.2731906654787198,0.4227177712288397,0.7060002741415942,0.7187221574943459,0.5301577170858749
EOS-2-38416,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)cn1,YCMSMKUIDFRTSF-UHFFFAOYSA-N,2,1,0.662,43,322,416.872,4.424,5,0.424,0.82,1.0,0.7153896237406621,0.77493831814132,0.827856212733877,0.8200003426769926,0.7845461243232128
EOS-2-38417,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)cc2)n1,AJDDGDNDCXNKTI-UHFFFAOYSA-N,2,1,0.57,43,178,416.872,4.424,5,0.424,0.79,1.0,0.772154067575903,0.7878658076896717,0.7797015283393873,0.780583921595504,0.7800763313001164
EOS-2-38418,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,CYZIBHBTKREMKS-UHFFFAOYSA-N,2,1,0.662,91,273,416.872,4.456,5,0.442,0.76,1.0,0.9639075457473785,0.9589215955040779,0.7680333767390858,0.7965355356041396,0.8718495133986705
EOS-2-38419,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-n5cccn5)cc4)n23)cc1,NFXQSEYJYXNIBZ-UHFFFAOYSA-N,2,1,0.786,91,660,416.872,4.252,5,0.414,0.81,1.0,0.9096789116578713,0.9509971900486601,0.737029675827565,0.7607600575697347,0.8396164587759577
EOS-2-38420,COc1cc(Cl)ccc1-c1nnc2cncc(-c3cc(-c4ccccc4)nn3C)n12,BLAYEFPZQHCEHE-UHFFFAOYSA-N,2,1,0.402,96,574,416.872,4.521,5,0.43,0.77,1.0,0.25997190048660135,0.42272633815365634,0.6402491261736687,0.662086217531355,0.49625839558632034
EOS-2-38421,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,ZMFWFBMFSLKGMN-UHFFFAOYSA-N,2,1,0.714,43,322,416.872,4.424,5,0.424,0.84,1.0,0.7864693989445548,0.8884415050373518,0.8381279555890617,0.827830511959427,0.8352173428825987
EOS-2-38422,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccccc2)n1,ZYFQBLRUDKMGHT-UHFFFAOYSA-N,2,1,0.632,43,372,416.872,4.424,5,0.424,0.79,1.0,0.6910938249605921,0.8415975601398122,0.6279470221369338,0.6881896374477418,0.7122070111712699
EOS-2-38423,Cn1cnc(-c2cccc(Cl)c2)c1COc1cncc2nnc(-c3ccccc3)n12,LQEVNWDTKPKUBC-UHFFFAOYSA-N,2,1,0.542,1,700,416.872,4.424,5,0.424,0.74,1.0,0.6224127887053663,0.6543074497978206,0.5591289150846412,0.6331214447262011,0.6172426495785074
EOS-2-38424,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,QJCXKBMJRKEXSM-UHFFFAOYSA-N,2,1,0.658,43,909,416.872,4.424,5,0.424,0.8,1.0,0.8216880268658763,0.8984733739976698,0.7772256870673703,0.7781423480227537,0.8188823589884174
EOS-2-38425,Cn1cnc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,BAUVNXFQKQPXSY-UHFFFAOYSA-N,2,1,0.57,1,372,416.872,4.424,5,0.424,0.74,1.0,0.8188866424508259,0.8576691110958811,0.5787900075388939,0.6476595161400863,0.7257513193064218
EOS-2-38426,Cn1nc(-c2ccccc2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,DNKYZIRCAVSQGP-UHFFFAOYSA-N,2,1,0.582,1,372,416.872,4.424,5,0.424,0.71,1.0,0.7121855938592283,0.8751542046467,0.6164330751833322,0.6735487629360565,0.7193304091563292
EOS-2-38427,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)n1,NGBUKNICFGFXRU-UHFFFAOYSA-N,2,1,0.645,43,909,416.872,4.424,5,0.424,0.8,1.0,0.80049345486944,0.7878743746144884,0.7772342539921869,0.7755465698033034,0.7852871633198547
EOS-2-38428,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5c(F)cccc5Cl)n34)cc2)n1,AGOSKQPJYNQOFG-UHFFFAOYSA-N,2,1,0.361,96,46,416.847,5.016,5,0.413,0.8,1.0,0.35006168185868003,0.5671646905626756,0.867521074635049,0.8960575011993694,0.6702012370639435
EOS-2-38429,Cc1c(-c2nnc3cncc(-c4ccc(-c5cccnc5)cn4)n23)ccc(Cl)c1F,JYNCFSDPJJVBRY-UHFFFAOYSA-N,2,1,0.341,96,680,416.847,5.016,5,0.413,0.76,1.0,0.3568038516893976,0.534687478582688,0.8901548900006854,0.9091905969433213,0.672709204304023
EOS-2-38430,Cc1nc(-c2ccc(F)cc2)cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,WRWRNSSDNCGMDH-UHFFFAOYSA-N,2,1,0.448,83,533,416.847,5.016,5,0.413,0.82,1.0,0.3956205880337194,0.7215663765334795,0.8348039887601947,0.8891525597971353,0.7102858782811323
EOS-2-38431,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c1,GXINWQLLRIDQNV-UHFFFAOYSA-N,2,1,0.731,83,163,416.843,6.043,5,0.358,0.87,1.0,0.90014392433692,0.9708553217736962,0.9672572133506956,0.9806644506887807,0.9547302275375231
EOS-2-38432,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)cc1,GQSDNFOJULWPIM-UHFFFAOYSA-N,2,1,0.526,83,163,416.843,6.043,5,0.358,0.86,1.0,0.8825474607634843,0.9361421424165581,0.9647813720786786,0.9786340895072305,0.9405262661914879
EOS-2-38433,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)cc1,YAVXREABTWVMPX-UHFFFAOYSA-N,2,1,0.657,83,163,416.843,6.043,5,0.358,0.87,1.0,0.8935730930025358,0.9402971009526421,0.9669316702076622,0.9802532382975807,0.9452637756151051
EOS-2-38434,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)cc4)n23)ccc1Cl,WOENPSNVYUHLBN-UHFFFAOYSA-N,2,1,0.581,83,163,416.843,6.043,5,0.358,0.87,1.0,0.9593927763689946,0.9792080734699472,0.9669402371324789,0.9782657117401138,0.9709516996778836
EOS-2-38435,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)ccn1,HAWZGXDXMHIFEB-UHFFFAOYSA-N,2,1,0.477,75,441,416.832,3.271,5,0.402,0.65,1.0,0.6280583921595504,0.6441213761908026,0.5851723665273113,0.5726817901446097,0.6075084812555684
EOS-2-38436,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,USDZLEFAUBVSGQ-UHFFFAOYSA-N,2,1,0.471,55,94,416.832,3.271,5,0.43,0.75,1.0,0.5469810156946062,0.6980073332876431,0.39825063395243643,0.42838050853265713,0.5179048728668357
EOS-2-38437,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cn1,SFUXCXYFAOBUQJ-UHFFFAOYSA-N,2,1,0.483,4,268,416.832,3.271,5,0.402,0.67,0.981,0.5111370022616681,0.7537009115208005,0.3835069563429511,0.41557295593173876,0.5159794565142897
EOS-2-38438,Clc1cccc(-c2ncc(COc3cncc4nnc(-c5ccccn5)n34)nn2)c1,GFKJCVYHMWRLFR-UHFFFAOYSA-N,2,1,0.512,4,122,416.832,3.271,5,0.43,0.81,1.0,0.3776471797683503,0.5671732574874923,0.2540093208142005,0.3581831265848811,0.38925322116373107
EOS-2-38439,Clc1ccc(COc2cncc3nnc(-c4cnnc(-c5cccnc5)c4)n23)cn1,WIZMHAHHDHBGTE-UHFFFAOYSA-N,2,1,0.472,55,875,416.832,3.271,5,0.402,0.55,1.0,0.5971146597217463,0.5921372764032623,0.5256151052018367,0.5436998834898225,0.5646417312041669
EOS-2-38440,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)nn1,FSZWOZGJFHQKCG-UHFFFAOYSA-N,2,1,0.556,24,912,416.832,3.271,5,0.43,0.69,1.0,0.4984836543074498,0.5256493729011035,0.3347097525872113,0.37132478925364953,0.4325418922623535
EOS-2-38441,Clc1cnc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)nc1,MMMXHTWNNNVLNP-UHFFFAOYSA-N,2,1,0.404,51,196,416.832,3.271,5,0.43,0.75,1.0,0.49849222123226644,0.5163456925502021,0.33810225481461176,0.39360736070180247,0.4366368823247207
EOS-2-38442,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)cn1,LUPFTAYVGNVYKN-UHFFFAOYSA-N,2,1,0.448,55,85,416.832,3.271,5,0.402,0.75,1.0,0.554699814954424,0.7215749434582962,0.4667003632376122,0.4723459666917963,0.5538302720855321
EOS-2-38443,Clc1ccccc1-c1nnc2cncc(OCc3ccnc(-c4cccnn4)n3)n12,JLDJVSYJQLZFQJ-UHFFFAOYSA-N,2,1,0.506,4,29,416.832,3.271,5,0.43,0.72,1.0,0.4934206017407991,0.6832293879788911,0.28711191830580496,0.3746230553080666,0.45959624083339046
EOS-2-38444,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnc5)n4)n23)cn1,LFOMGAJTKNYSMV-UHFFFAOYSA-N,2,1,0.512,2,390,416.832,3.271,5,0.402,0.67,1.0,0.5883763964087451,0.8045370433829073,0.3644712494003153,0.3936159276266191,0.5377501542046468
EOS-2-38445,Clc1cccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nn4)n23)c1,FDXSMDUDAPYZRN-UHFFFAOYSA-N,2,1,0.56,4,817,416.832,3.271,5,0.43,0.69,1.0,0.4590843670755945,0.6832379549037078,0.45952984716606127,0.5135614419847851,0.5288534027825371
EOS-2-38446,Clc1cncc(COc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)n1,XAVUTYPGIGIVBV-UHFFFAOYSA-N,2,1,0.5,75,496,416.832,3.271,5,0.43,0.75,1.0,0.4885460215201151,0.6109759440751148,0.40871084915358785,0.437589952710575,0.48645569186484816
EOS-2-38447,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)n4)n23)cc1,GHRQSUIJTPARBL-UHFFFAOYSA-N,2,1,0.548,4,32,416.832,3.271,5,0.43,0.78,1.0,0.7635700089096018,0.9249708724556234,0.3309488725926941,0.4057295593173874,0.6063048283188267
EOS-2-38448,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cn1,QOCHAXCGVLRFCW-UHFFFAOYSA-N,2,1,0.471,46,94,416.832,3.271,5,0.43,0.72,1.0,0.4885545884449318,0.5671818244123089,0.3417774655609622,0.3713333561784662,0.4422118086491673
EOS-2-38449,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,CLQDUGXWSGSPOG-UHFFFAOYSA-N,2,1,0.537,55,540,416.832,3.271,5,0.43,0.7,1.0,0.5657682818175588,0.7125882393256117,0.43836097594407514,0.45362723596737714,0.5425861832636557
EOS-2-38450,Clc1nccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,OUOPKFDKNFMINT-UHFFFAOYSA-N,2,1,0.506,55,390,416.832,3.271,5,0.402,0.73,1.0,0.5741124665889932,0.7030960866287438,0.40161743540538686,0.4057381262422041,0.5211410287163319
EOS-2-38451,Clc1cc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)ccn1,WEFZRDQHTFHZPD-UHFFFAOYSA-N,2,1,0.409,18,181,416.832,3.271,5,0.402,0.72,1.0,0.54977383318484,0.5581351518059078,0.5011822356247002,0.5065708313343842,0.5289155129874581
EOS-2-38452,Clc1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)nn1,FYFXXKKGLCSTQI-UHFFFAOYSA-N,2,1,0.438,46,160,416.832,3.271,5,0.43,0.79,1.0,0.44500890960180933,0.48021897059831403,0.3835155232677678,0.4375985196353917,0.4365854807758207
EOS-2-38453,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cn1,KQMBXNVLSUXYGZ-UHFFFAOYSA-N,2,1,0.542,72,992,416.832,3.271,5,0.402,0.72,1.0,0.8216965937906929,0.6832465218285244,0.5946388184497293,0.5914347885682956,0.6727541806593105
EOS-2-38454,Clc1nccc(COc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)n1,LKFZCKMEMKNZJZ-UHFFFAOYSA-N,2,1,0.536,75,496,416.832,3.271,5,0.402,0.67,1.0,0.5085754917414845,0.6109845109999315,0.41203481598245495,0.4155815228565554,0.48679408539510655
EOS-2-38455,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)nc1,GLTBJTQGDZEIAU-UHFFFAOYSA-N,2,1,0.529,4,617,416.832,3.271,5,0.43,0.7,0.993,0.5795096292234939,0.6930556507436091,0.4195651428963059,0.45032896991296006,0.5356148481940922
EOS-2-38456,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)c4)n23)cn1,SUHKVORFOLWAKJ-UHFFFAOYSA-N,2,1,0.449,55,283,416.832,3.271,5,0.402,0.65,1.0,0.7093585086697279,0.827599204989377,0.4769035706942636,0.4933692001918991,0.6268076211363168
EOS-2-38457,Clc1ccccc1-c1nnc2cncc(OCc3ccc(-c4cncnc4)nn3)n12,PIKOIZNYCRGKHF-UHFFFAOYSA-N,2,1,0.518,4,820,416.832,3.271,5,0.43,0.7,1.0,0.5085840586663012,0.6783719416078404,0.4383695428688918,0.49969159070659996,0.5312542834624083
EOS-2-38458,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccncn5)n4)n23)cc1,VTMXCLQXENPGRA-UHFFFAOYSA-N,2,1,0.536,4,539,416.832,3.271,5,0.43,0.75,1.0,0.8662446028373655,0.9361507093413748,0.37596806250428344,0.4283890754574738,0.6516881125351244
EOS-2-38459,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cn1,DPCSRQDKBSSVQI-UHFFFAOYSA-N,2,1,0.488,7,815,416.832,3.271,5,0.43,0.72,1.0,0.654401685970804,0.7492803783154,0.45620588033719417,0.45990679185799466,0.5799486841203482
EOS-2-38460,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccnc5)n34)cn2)nc1,RKXNBZYJNMPXLV-UHFFFAOYSA-N,2,1,0.506,55,930,416.832,3.271,5,0.43,0.74,1.0,0.7807038585429374,0.7492889452402166,0.36812932629703243,0.38723356863820163,0.571338924679597
EOS-2-38461,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)nn1,OBGQKENHULZACG-UHFFFAOYSA-N,2,1,0.512,4,208,416.832,3.271,5,0.43,0.67,1.0,0.5085926255911178,0.5874169008292783,0.47691213761908025,0.5097577273661846,0.5206698478514152
EOS-2-38462,Clc1cccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)c1,DXTUDBZJMCQLTG-UHFFFAOYSA-N,2,1,0.542,51,969,416.832,3.271,5,0.43,0.73,1.0,0.546989582619423,0.7620536632170516,0.39077170858748544,0.44743334932492634,0.5368120759372217
EOS-2-38463,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)cn1,FWZNEAUUCQTQFX-UHFFFAOYSA-N,2,1,0.477,2,419,416.832,3.271,5,0.402,0.69,1.0,0.5971232266465629,0.592145843328079,0.6164416421081489,0.6095709684051813,0.603820420121993
EOS-2-38464,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)ccn1,MXRYFAMUULSTTF-UHFFFAOYSA-N,2,1,0.411,46,565,416.832,3.271,5,0.402,0.75,1.0,0.6336097594407512,0.6391439928723186,0.5658453841409088,0.5663679665547255,0.6012417757521761
EOS-2-38465,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccn5)n34)cn2)cn1,HFEVRXHOCPANHV-UHFFFAOYSA-N,2,1,0.437,55,879,416.832,3.271,5,0.402,0.75,1.0,0.6251542046467,0.7708347611541361,0.3835240901925845,0.4057466931670208,0.5463149372901104
EOS-2-38466,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)nc1,ORPMJLCVYMOTGZ-UHFFFAOYSA-N,2,1,0.506,56,19,416.832,3.271,5,0.43,0.7,1.0,0.6881896374477418,0.7620622301418682,0.45277911041052704,0.487338085120965,0.5975922657802755
EOS-2-38467,Clc1ccccc1-c1nnc2cncc(OCc3cncc(-c4cnccn4)n3)n12,VCRHVBXNEPNWRE-UHFFFAOYSA-N,2,1,0.537,7,540,416.832,3.271,5,0.43,0.75,1.0,0.48103282845589745,0.6882410389966418,0.37213864711123296,0.447441916249743,0.49721360770337875
EOS-2-38468,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)cn4)n23)nc1,GSKGCECSHLZBHZ-UHFFFAOYSA-N,2,1,0.477,46,128,416.832,3.271,5,0.43,0.72,1.0,0.5444966074977726,0.7170601740799123,0.4270869028853403,0.4503375368377767,0.5347453053252005
EOS-2-38469,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cn1,YZFCEFFAOWFXAC-UHFFFAOYSA-N,2,1,0.464,55,786,416.832,3.271,5,0.402,0.73,1.0,0.7835566445068878,0.7215835103831129,0.3945068878075526,0.3872421355630183,0.5717222945651429
EOS-2-38470,Clc1ccc(COc2cncc3nnc(-c4nccnc4-c4ccccn4)n23)nc1,OJKBKOFJEGPVAO-UHFFFAOYSA-N,2,1,0.524,24,128,416.832,3.271,5,0.43,0.68,0.878,0.44045987252415875,0.4889058323624152,0.23248063874991434,0.3107309300253581,0.3681443184154616
EOS-2-38471,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)cn1,YQRVRECZXNAJHV-UHFFFAOYSA-N,2,1,0.477,55,283,416.832,3.271,5,0.402,0.72,1.0,0.7458364745390994,0.6980159002124597,0.5155147008429855,0.4997001576314166,0.6147668083064903
EOS-2-38472,Clc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3ncccn3)n12,LMPQQTHXBDDEAP-UHFFFAOYSA-N,2,1,0.481,73,242,416.832,3.271,5,0.43,0.78,1.0,0.7308443561099308,0.8416061270646289,0.3309574395175108,0.3681978616955658,0.5679014460969091
EOS-2-38473,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cn1,FEOMTZYRKPXAMG-UHFFFAOYSA-N,2,1,0.438,55,959,416.832,3.271,5,0.402,0.78,1.0,0.6396408745116853,0.5921544102528956,0.5560105544513742,0.5532006031115071,0.5852516105818655
EOS-2-38474,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)cn1,QBTKBFUDKTYJEH-UHFFFAOYSA-N,2,1,0.483,55,283,416.832,3.271,5,0.402,0.73,1.0,0.712194160784045,0.6882496059214585,0.4769207045438969,0.4845624014803646,0.5904817181824412
EOS-2-38475,Clc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cn2)cn1,QVLOJAHUHHLUQP-UHFFFAOYSA-N,2,1,0.62,55,434,416.832,3.271,5,0.402,0.74,1.0,0.5266688369542869,0.7215920773079295,0.4158813652251388,0.402722568706737,0.516716212048523
EOS-2-38476,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)nn2)cc1,LOXSMFBCLUTWSJ-UHFFFAOYSA-N,2,1,0.452,54,411,416.832,3.271,5,0.43,0.8,1.0,0.5343191008155712,0.6588564868754712,0.38353265711740114,0.46921903913371255,0.511481820985539
EOS-2-38477,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cnccn5)n4)n23)cc1,JTTFXKGZMNFWKT-UHFFFAOYSA-N,2,1,0.562,73,335,416.832,3.271,5,0.43,0.78,1.0,0.8292440545541773,0.9403056678774587,0.3495990679185799,0.4155900897813721,0.633684720032897
EOS-2-38478,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5ncccn5)n4)n23)cc1,ZDDWXBIBOUNZMJ-UHFFFAOYSA-N,2,1,0.562,73,335,416.832,3.271,5,0.43,0.8,1.0,0.8881759303680351,0.9499605921458433,0.2611455691864848,0.33898464807072853,0.609566684942773
EOS-2-38479,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)n1,GWCZGIDUOCXPLY-UHFFFAOYSA-N,2,1,0.5,24,786,416.832,3.271,5,0.43,0.77,1.0,0.5343276677403879,0.6734630936878898,0.3309660064423275,0.36489959564114866,0.47591409087793846
EOS-2-38480,COc1ccc(Cl)cc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cn3)n12,YRQZYFLZZRKOSH-UHFFFAOYSA-N,2,1,0.376,50,216,416.832,3.367,5,0.439,0.74,0.998,0.3185525323829758,0.32716229182372697,0.5290504420533205,0.530198409978754,0.4262409190596943
EOS-2-38481,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1,FZDOJTCPESDOBZ-UHFFFAOYSA-N,2,1,0.608,51,969,416.832,3.271,5,0.43,0.78,1.0,0.8707508052909327,0.9403142348022754,0.48766362826399834,0.5302069769035707,0.7072339113151943
EOS-2-38482,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccncc5)n34)c2)nc1,JZGFVEAKQNIULH-UHFFFAOYSA-N,2,1,0.444,54,511,416.832,3.271,5,0.43,0.64,1.0,0.5943047083818792,0.5300699061065041,0.4769292714687136,0.5231735316290864,0.5311193543965458
EOS-2-38483,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)nc1,NWUDRVHIGKMHMU-UHFFFAOYSA-N,2,1,0.466,46,435,416.832,3.271,5,0.43,0.76,1.0,0.4761668151600302,0.587425467754095,0.49760982797614967,0.520012336371736,0.5203036118155027
EOS-2-38484,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cc2)nn1,VTTYVSCSSLTRCE-UHFFFAOYSA-N,2,1,0.512,72,208,416.832,3.271,5,0.43,0.77,1.0,0.6761959427044069,0.7708433280789527,0.4235744637105065,0.4536358028921938,0.5810623843465149
EOS-2-38485,COc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(Cl)nc5)n34)cn2)cn1,PWFXQEOFQSTKQZ-UHFFFAOYSA-N,2,1,0.333,82,478,416.832,3.367,5,0.411,0.78,1.0,0.4083167706120211,0.5074874922897676,0.4345144267013913,0.4027311356315537,0.43826245630868343
EOS-2-38486,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)cc1,MZXSCWIINWYFPM-UHFFFAOYSA-N,2,1,0.549,51,335,416.832,3.271,5,0.43,0.76,1.0,0.8269481187033103,0.9361592762661914,0.42358303063532315,0.47536152422726335,0.665512987458022
EOS-2-38487,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cn1,VRGFBKNFTXKCHA-UHFFFAOYSA-N,2,1,0.472,55,390,416.832,3.271,5,0.402,0.62,1.0,0.5185131245288191,0.7708518950037695,0.4735796038653965,0.4813241038996642,0.5610671818244123
EOS-2-38488,Clc1nccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2)n1,WLYRLGRCSMTDPC-UHFFFAOYSA-N,2,1,0.5,56,815,416.832,3.271,5,0.402,0.73,1.0,0.6821156877527242,0.7309300253580975,0.4419419505174423,0.42839764238229044,0.5708463265026387
EOS-2-38489,Clc1cccc(COc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)n1,PEIXKDWCDXXACT-UHFFFAOYSA-N,2,1,0.5,2,419,416.832,3.271,5,0.402,0.72,1.0,0.4568569666232609,0.5626327873346584,0.5290590089781372,0.5437084504146391,0.5230643033376738
EOS-2-38490,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)nn2)cc1,XIIHKOFLTHRNNU-UHFFFAOYSA-N,2,1,0.46,54,691,416.832,3.271,5,0.43,0.8,0.981,0.5657768487423754,0.717068741004729,0.36447981632513193,0.4660921115756288,0.5283543794119663
EOS-2-38491,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ncc(Cl)cn3)n12,RKECXRHULFAXBN-UHFFFAOYSA-N,2,1,0.383,50,261,416.832,3.367,5,0.439,0.68,1.0,0.4220752518675896,0.40423034747447056,0.30866630114454113,0.3107394969501748,0.36142784935919403
EOS-2-38492,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nn1,FWBLCXRECACIFP-UHFFFAOYSA-N,2,1,0.5,56,208,416.832,3.271,5,0.43,0.74,1.0,0.628066959084367,0.7125968062504283,0.49408025495168256,0.5200209032965527,0.5886912308957576
EOS-2-38493,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nn1,LUUDAQULHXOQEL-UHFFFAOYSA-N,2,1,0.506,72,22,416.832,3.271,5,0.43,0.71,1.0,0.6424508258515523,0.7262010828592969,0.4306593105338908,0.4536443698170105,0.5632388972654376
EOS-2-38494,Clc1ncc(-c2cc(-c3nnc4cncc(OCc5ccncc5)n34)ccn2)cn1,KSHGUJIARQZTNF-UHFFFAOYSA-N,2,1,0.506,75,441,416.832,3.271,5,0.402,0.72,1.0,0.6196885066136659,0.6588650538002878,0.5290675759029538,0.49337776711671577,0.5752497258584058
EOS-2-38495,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nn4)n23)cc1,SPXDNEYMHBJUEO-UHFFFAOYSA-N,2,1,0.556,4,32,416.832,3.271,5,0.43,0.75,1.0,0.7721626345007196,0.907545747378521,0.48402268521691455,0.5336765814543212,0.6743519121376191
EOS-2-38496,Clc1cc(COc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)ccn1,QIQUKLOYQKUIJI-UHFFFAOYSA-N,2,1,0.444,46,481,416.832,3.271,5,0.402,0.74,1.0,0.5854465081214447,0.5117281200740182,0.41957370982112263,0.44745048317455965,0.4910497052977863
EOS-2-38497,Cc1cc(-c2nnc3cncc(Oc4ccc(-c5cncnc5)nn4)n23)ccc1Cl,NNFHXIOBAYOVMO-UHFFFAOYSA-N,2,1,0.405,13,706,416.832,3.792,5,0.435,0.75,1.0,0.6881982043725584,0.7836680145295045,0.5691436501953259,0.5663765334795422,0.6518466006442328
EOS-2-38498,Clc1cc(COc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)ccn1,YXNDVPGSRHEYTJ-UHFFFAOYSA-N,2,1,0.448,2,419,416.832,3.271,5,0.402,0.65,1.0,0.6028887670481804,0.6490901925844699,0.6251542046467,0.6243660475635666,0.6253748029607292
EOS-2-38499,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)cn1,HCRPTYAWAXCYNI-UHFFFAOYSA-N,2,1,0.5,55,441,416.832,3.271,5,0.402,0.68,1.0,0.6791943663902406,0.5921629771777123,0.5759029538756768,0.559728599821808,0.6017472243163594
EOS-2-38500,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nn4)n23)cc1,NZTDLRSUKLBJCD-UHFFFAOYSA-N,2,1,0.57,4,32,416.832,3.271,5,0.43,0.77,1.0,0.7748954835172367,0.9157357275032554,0.40162600233020357,0.46922760605852926,0.6403712048523061
EOS-2-38501,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)nn2)cn1,WCRQYBSJTGLFNW-UHFFFAOYSA-N,2,1,0.554,54,670,416.832,3.271,5,0.402,0.73,1.0,0.46382187649921186,0.5874340346789116,0.3607275032554314,0.41254026454663834,0.45613091974504827
EOS-2-38502,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)nc1,TZFWYOLCLSMTFY-UHFFFAOYSA-N,2,1,0.554,4,22,416.832,3.271,5,0.43,0.71,1.0,0.7030789527791104,0.6980244671372764,0.5355955726132547,0.5597371667466247,0.6241090398190665
EOS-2-38503,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cn1,FCGBOTQUXSMVGP-UHFFFAOYSA-N,2,1,0.448,7,119,416.832,3.271,5,0.43,0.69,1.0,0.46629771777122886,0.5671903913371257,0.4052840792269207,0.43760708656020836,0.46909481872387093
EOS-2-38504,Clc1cccnc1-c1nnc2cncc(OCc3ccc(-c4ccnnc4)cn3)n12,DURMCHWQXYDXNH-UHFFFAOYSA-N,2,1,0.5,4,119,416.832,3.271,5,0.43,0.65,1.0,0.42208381879240625,0.5346960455075046,0.42709546981015695,0.472354533616613,0.4640574669316702
EOS-2-38505,Clc1ccccc1-c1nnc2cncc(OCc3cncc(-c4cncnc4)n3)n12,MDAUXYRUTMLETI-UHFFFAOYSA-N,2,1,0.512,7,817,416.832,3.271,5,0.43,0.67,1.0,0.4909790281680488,0.698033034062093,0.44195051744225894,0.5033668014529504,0.5335823452813377
EOS-2-38506,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cn1,YYQUHHQWKHQKHF-UHFFFAOYSA-N,2,1,0.512,55,540,416.832,3.271,5,0.402,0.75,1.0,0.7185765197724625,0.712605373175245,0.4940888218764992,0.48457096840518127,0.602460420807347
EOS-2-38507,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,AOICAPPTPJYYNV-UHFFFAOYSA-N,2,1,0.549,7,817,416.832,3.271,5,0.43,0.77,1.0,0.7030875197039271,0.9174919470906723,0.48767219518881505,0.5400675073675554,0.6620797923377424
EOS-2-38508,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc1,WAQRDAFJYXURJY-UHFFFAOYSA-N,2,1,0.506,51,19,416.832,3.271,5,0.43,0.72,1.0,0.739711123295182,0.7792046467000205,0.3835412240422178,0.412548831471455,0.5787514563772188
EOS-2-38509,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncn5)nn4)n23)cc1,HFNFZEBUTFYFRP-UHFFFAOYSA-N,2,1,0.549,4,32,416.832,3.271,5,0.43,0.73,1.0,0.8137036529367419,0.9193852374751559,0.4235915975601398,0.48133267082448083,0.6595032896991296
EOS-2-38510,Clc1cncc(COc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)c1,UEGADZJEGUTFQW-UHFFFAOYSA-N,2,1,0.411,18,435,416.832,3.271,5,0.43,0.71,1.0,0.5943132753066959,0.5256579398259201,0.5526523199232404,0.5756973476800767,0.5620802206839832
EOS-2-38511,Clc1cc(COc2cncc3nnc(-c4cncc(-c5ccncn5)c4)n23)ccn1,CAMGCGHOFWIXEK-UHFFFAOYSA-N,2,1,0.433,2,422,416.832,3.271,5,0.402,0.68,1.0,0.6513518607360702,0.6391525597971353,0.5819255020217943,0.5726903570694264,0.6112800699061065
EOS-2-38512,Clc1cc(COc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)ccn1,KVQWEWTXDKPSTH-UHFFFAOYSA-N,2,1,0.396,18,565,416.832,3.271,5,0.402,0.67,1.0,0.5629668974025084,0.5531663354122405,0.5658539510657254,0.572698923994243,0.5636715269686794
EOS-2-38513,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccncn5)n34)c2)nc1,RVIYZHOLXORUHX-UHFFFAOYSA-N,2,1,0.467,2,422,416.832,3.271,5,0.43,0.68,1.0,0.5111455691864848,0.6013467205811802,0.4940973888013159,0.5135700089096018,0.5300399218696457
EOS-2-38514,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)n1,WDJQXYHJKGSUIO-UHFFFAOYSA-N,2,1,0.471,56,19,416.832,3.271,5,0.402,0.7,1.0,0.7919436639024056,0.7792132136248372,0.44894112809265985,0.47537009115208007,0.6238670241929957
EOS-2-38515,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,UXGHBRJQHSFAHT-UHFFFAOYSA-N,2,1,0.494,55,540,416.832,3.271,5,0.43,0.75,1.0,0.7458450414639161,0.7449883489822493,0.49084195737098213,0.4997087245562333,0.6203460180933452
EOS-2-38516,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cnccn5)n34)c2)cc1,HJUQBXHVWIBQRC-UHFFFAOYSA-N,2,1,0.442,4,207,416.832,3.271,5,0.43,0.71,1.0,0.4357394969501748,0.5717479953395929,0.4562144472620108,0.540076074292372,0.5009445034610376
EOS-2-38517,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c1,AMGJEZXEONMIQS-UHFFFAOYSA-N,2,1,0.427,46,242,416.832,3.271,5,0.43,0.76,1.0,0.7428209170036324,0.6490987595092865,0.3982592008772531,0.42208381879240625,0.5530656740456446
EOS-2-38518,Clc1ccccc1-c1nnc2cncc(OCc3cnc(-c4ccnnc4)cn3)n12,OEKZMAMFDXWLLW-UHFFFAOYSA-N,2,1,0.524,4,212,416.832,3.271,5,0.43,0.63,1.0,0.49585360838873277,0.6686913165650058,0.4595384140908779,0.5097662942910013,0.5334624083339045
EOS-2-38519,Oc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1,SGXSOAOYPMVKCZ-UHFFFAOYSA-N,2,1,0.5,1,15,416.828,4.4,5,0.463,0.84,1.0,0.7337828113220478,0.7579758070043178,0.7394455486258653,0.7428037831539991,0.7435019875265574
EOS-2-38521,COc1ccc(COc2cncc3nnc(-c4ccc(C)c(F)c4)n23)c(Cl)c1F,YLYYIUAFESHMNH-UHFFFAOYSA-N,2,1,0.542,23,17,416.815,4.619,4,0.475,0.77,1.0,0.9812470015763142,0.9519823864025769,0.9736909738880132,0.9558889041189774,0.9657023164964704
EOS-2-38524,N#Cc1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(Cl)c(F)c4)n23)cc1,PVNTWSWDEJKEGI-UHFFFAOYSA-N,2,1,0.471,96,46,416.803,4.777,5,0.42,0.79,1.0,0.46850798437392915,0.6783805085326571,0.9342488520320745,0.9539099444863272,0.758761822356247
EOS-2-38525,Fc1ccc(Br)c(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,VJHFXWGMLRQUED-UHFFFAOYSA-N,2,1,0.658,48,444,483.219,5.171,4,0.367,0.81,1.0,0.9942173257487492,0.9911846343636488,0.9970015763141663,0.9949883489822493,0.9943479713522034
EOS-2-38526,COc1nc(-c2cnc(Cl)nn2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,WSJHKPHBUGEHKL-UHFFFAOYSA-N,2,1,0.412,51,924,483.279,2.723,5,0.352,0.49,0.997,0.6483791378246865,0.5581437187307244,0.10551024604208073,0.12416900829278323,0.35905052772256874
EOS-2-38527,COc1nc(Cl)nc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)n1,WITAXBDRWVDMTF-UHFFFAOYSA-N,2,1,0.38,51,48,483.279,2.723,5,0.329,0.59,1.0,0.6453293125899527,0.6061184977040641,0.07879857446371051,0.08763107394969502,0.35446936467685564
EOS-2-38528,Fc1cc(COc2cncc3nnc(-c4ccc(Oc5cnc(Cl)cn5)cc4)n23)ccc1Cl,BAJXULTYQUGOFY-UHFFFAOYSA-N,2,1,0.709,59,96,483.29,5.399,5,0.32,0.79,1.0,0.9837742443972312,0.9748389418134467,0.9318672469330409,0.9284233431567405,0.9547259440751147
EOS-2-38529,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnc(Cl)nc1,HTQFZUWPMLHNQP-UHFFFAOYSA-N,2,1,0.506,13,209,483.29,5.495,5,0.305,0.61,1.0,0.909687478582688,0.9075543143033377,0.9342574189568912,0.9201905284079227,0.9179224350627099
EOS-2-38530,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccnc(Cl)n1,IYMVIXQEVCOADK-UHFFFAOYSA-N,2,1,0.478,13,209,483.29,5.495,5,0.305,0.64,1.0,0.9302223973682407,0.9055325200466041,0.9139452402165719,0.8999040504420533,0.9124010520183675
EOS-2-38531,Cc1nc(Cl)ccc1-c1cncc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c1,HPMNEZJMILUMQR-UHFFFAOYSA-N,2,1,0.404,2,379,483.294,4.372,5,0.268,0.67,1.0,0.7093670755945446,0.7403879103556987,0.6402576930984853,0.6766242889452402,0.6916592419984922
EOS-2-38532,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cc1Cl,WTYCBEWAURPANC-UHFFFAOYSA-N,2,1,0.464,20,279,483.294,4.106,5,0.333,0.64,0.844,0.8366201768213282,0.9075628812281543,0.6251627715715167,0.7023507641696937,0.7679241484476733
EOS-2-38533,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cc(Cl)nc(Cl)n4)nc3)n12,JYPJIEAPYNYZRW-UHFFFAOYSA-N,2,1,0.49,58,904,483.294,4.106,5,0.263,0.72,1.0,0.9035278596395038,0.9390463299294085,0.6463316427935029,0.6911452265094922,0.7950127647179769
EOS-2-38534,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cn2)cc1Cl,TWNISJLREDAGNU-UHFFFAOYSA-N,2,1,0.449,87,76,483.294,4.106,5,0.263,0.65,0.999,0.8032263038859571,0.907571448152971,0.5759115208004935,0.6620947844561716,0.7372010143238983
EOS-2-38535,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(Cl)n2)nc1,GTPQRGIJJOJPGV-UHFFFAOYSA-N,2,1,0.529,58,262,483.294,4.106,5,0.333,0.57,1.0,0.9127887053663217,0.9331265848810911,0.552660886848057,0.6419282434377356,0.7601261051333015
EOS-2-38536,Fc1nc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)n1,ZZUCGANVDMATRT-UHFFFAOYSA-N,2,1,0.449,18,814,483.294,4.106,5,0.263,0.59,0.988,0.7337913782468645,0.7492975121650333,0.5787985744637105,0.6735573298608731,0.6838611986841203
EOS-2-38537,Cc1nc(-c2cnc(Cl)c(F)c2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,NGEFNELPNCKRJK-UHFFFAOYSA-N,2,1,0.388,46,62,483.294,4.372,5,0.34,0.65,1.0,0.7665684325954355,0.6832550887533411,0.6847114659721746,0.734913645397848,0.7173621581796998
EOS-2-38538,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1cnc(Cl)nn1,HHCIIFZAYOVKKI-UHFFFAOYSA-N,2,1,0.57,37,669,483.294,4.106,5,0.333,0.63,1.0,0.9581248714961278,0.9561630457131108,0.7034901651703105,0.7633558357891851,0.8452834795421835
EOS-2-38539,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)cnc1Cl,SYHRGWMIQMAKAG-UHFFFAOYSA-N,2,1,0.516,65,434,483.294,4.106,5,0.263,0.63,1.0,0.9018401754506202,0.9531646220272771,0.7136162703036119,0.7375865259406483,0.8265518984305393
EOS-2-38540,Fc1cc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)ccc1-c1ncncn1,OLMFPSKJXBZUOF-UHFFFAOYSA-N,2,1,0.61,37,626,483.294,4.106,5,0.333,0.64,1.0,0.9764323898293469,0.9589301624288945,0.7346138030292646,0.77555513672812,0.8613828730039066
EOS-2-38541,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)cn2)cnc1Cl,RVHPJTLQJOXCOQ-UHFFFAOYSA-N,2,1,0.459,87,307,483.294,4.106,5,0.333,0.65,0.994,0.7919522308272222,0.917500514015489,0.6432218490850524,0.7321722294565143,0.7712117058460695
EOS-2-38542,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)nc(Cl)n5)n34)cn2)cn1,FFIDYQDDLVPOHV-UHFFFAOYSA-N,2,1,0.458,87,76,483.294,4.106,5,0.202,0.64,1.0,0.8437050236447124,0.9193938043999725,0.5882735933109451,0.6506151052018367,0.7504968816393667
EOS-2-38543,Fc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncc(Cl)cn1,FBFGUVOORLCVER-UHFFFAOYSA-N,2,1,0.462,18,262,483.294,4.106,5,0.333,0.64,1.0,0.889983551504352,0.8751627715715167,0.5560191213761908,0.6390240559248852,0.7400473750942362
EOS-2-38544,Fc1cc(Cl)cnc1CCOc1cncc2nnc(-c3cnccc3-c3ncc(Cl)cn3)n12,VNMVCERJDZXVQB-UHFFFAOYSA-N,2,1,0.472,73,263,483.294,4.106,5,0.356,0.56,1.0,0.7948050167911727,0.8001679117264067,0.5290761428277705,0.6419368103625522,0.6914964704269755
EOS-2-38545,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)ncn4)n23)ccc1Cl,OHOUZYIITHQNHW-UHFFFAOYSA-N,2,1,0.57,44,308,483.294,4.106,5,0.333,0.65,0.996,0.8845521211705846,0.8161280926598589,0.7494345829621,0.784893084778288,0.8087519703927077
EOS-2-38546,Fc1cc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)c1,WTTHOUCAOTVOKV-UHFFFAOYSA-N,2,1,0.61,57,798,483.305,6.622,5,0.282,0.76,1.0,0.9749588787608799,0.9812555685011308,0.9910047289424988,0.9973528202316496,0.9861429991090397
EOS-2-38547,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(Cl)c5)cc4)n23)cc1F,IRCILTSTFLMIHX-UHFFFAOYSA-N,2,1,0.803,57,853,483.305,6.622,5,0.282,0.82,1.0,0.995074018230416,0.9937889795079159,0.9932749640189158,0.9976098279761497,0.9949369474333494
EOS-2-38548,Fc1ccc(COc2ccc(Cl)cc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,AAJMJQBYPIIDIR-UHFFFAOYSA-N,2,1,0.562,83,533,483.305,6.622,5,0.282,0.79,1.0,0.8707593722157494,0.9541840860804606,0.9920241929956822,0.997087245562333,0.9535137242135563
EOS-2-38549,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5F)cc4)n23)c(Cl)c1,JJQIOXLMPBIIPA-UHFFFAOYSA-N,2,1,0.597,57,853,483.305,6.622,5,0.282,0.78,1.0,0.9752758549790967,0.9820265917346309,0.9910132958673155,0.9966846000959496,0.9862500856692481
EOS-2-38550,Fc1ccc(Cl)c(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,MFCFAAVIIKWQDN-UHFFFAOYSA-N,2,1,0.64,57,798,483.305,6.622,5,0.282,0.75,1.0,0.9896254540470153,0.9946199712151326,0.9918785552737989,0.9976183949009664,0.9934355938592282
EOS-2-38551,Fc1cccc(-c2c(F)ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2Cl)c1,QASOKISHIZWOJU-UHFFFAOYSA-N,2,1,0.653,57,461,483.305,6.622,5,0.282,0.8,1.0,0.9894455486258653,0.9950568843807827,0.9898053594681653,0.9965646631485162,0.9927181139058324
EOS-2-38552,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5Cl)n34)cc2)cc1F,MYRRIEHZBNSRKW-UHFFFAOYSA-N,2,1,0.64,57,853,483.305,6.622,5,0.282,0.76,1.0,0.982874717291481,0.9915787129052156,0.9925810431087657,0.997549859502433,0.9911460832019738
EOS-2-38553,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)ccc1-c1cocn1,HDZQYEKBTJOQKZ-UHFFFAOYSA-N,2,1,0.473,49,703,483.315,4.778,5,0.326,0.62,0.998,0.7093756425193612,0.6296004386265506,0.6370108285929683,0.6448495648002193,0.6552091186347748
EOS-2-38554,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)ccc1-c1ncon1,ZIGOPXRKCZYJTG-UHFFFAOYSA-N,2,1,0.553,88,313,483.315,4.778,5,0.326,0.66,1.0,0.870767939140566,0.7792217805496539,0.7519189911589336,0.7453224590500994,0.7868077924748133
EOS-2-38555,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)ccc1-c1ncco1,BYEOYVHQBUFPNC-UHFFFAOYSA-N,2,1,0.505,49,703,483.315,4.778,5,0.326,0.69,1.0,0.6911023918854088,0.5488657391542732,0.5788071413885272,0.5852409019258447,0.6010040435885134
EOS-2-38556,COc1cc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)ccc1-c1ncon1,LQLGNKXAGXLEMT-UHFFFAOYSA-N,2,1,0.571,88,313,483.315,4.778,5,0.326,0.61,1.0,0.8862483722842849,0.744996915907066,0.7241278870536633,0.7266465629497636,0.7705049345486945
EOS-2-38557,COc1cc(-c2nnc3cncc(OCc4ncc(-c5cc(Cl)n(C)n5)cn4)n23)ccc1Cl,ATIOUODOOSPNRV-UHFFFAOYSA-N,2,1,0.456,51,946,483.319,3.876,5,0.359,0.65,1.0,0.5971317935713796,0.7262096497841135,0.5155232677678021,0.4933863340415324,0.5830627612912069
EOS-2-38558,COc1cc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ccc4Cl)n23)ccc1Cl,NRSIUOQMRQRLJU-UHFFFAOYSA-N,2,1,0.523,36,258,483.319,3.876,5,0.359,0.73,0.999,0.6882067712973751,0.7921835377972722,0.6132204783770817,0.647668083064903,0.685319717634158
EOS-2-38559,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(Cl)c2)n[nH]c1=O,JPZIAIYIBMQKEP-UHFFFAOYSA-N,2,1,0.544,37,626,483.319,3.203,5,0.369,0.62,1.0,0.5854550750462614,0.562641354259475,0.3872164347885683,0.49971729148105,0.5087575388938387
EOS-2-38560,COCc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cn1,RHBSHKAYBWSPJA-UHFFFAOYSA-N,2,1,0.495,16,10,483.319,3.799,5,0.344,0.58,1.0,0.28688061133575493,0.5256665067507368,0.48062161606469744,0.5630782674251251,0.4640617503940786
EOS-2-38561,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc2Cl)n(C)n1,LWZBURQKRXSHFD-UHFFFAOYSA-N,2,1,0.39,31,602,483.323,3.009,5,0.336,0.61,0.984,0.45235076416969366,0.44038277020080874,0.04706668494277294,0.09526420396134604,0.25876610581865533
EOS-2-38562,N#Cc1cccc(-c2cccc(-c3nnc4cncc(OCc5cnccc5Br)n34)c2)c1,ULWCDOWJZRMWNF-UHFFFAOYSA-N,2,1,0.5,1,962,483.329,5.066,5,0.347,0.6,1.0,0.7891165787129052,0.8001764786512233,0.9063463779041875,0.9012062230141868,0.8492114145706258
EOS-2-38563,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cc4Cl)n23)cc1,NVMFBZKRHAUMRC-UHFFFAOYSA-N,2,1,0.583,91,781,483.334,5.259,5,0.308,0.74,1.0,0.9542611884038106,0.9175090809403057,0.9334349941744912,0.9357994654238915,0.9352511822356246
EOS-2-38564,Cn1ncc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)c1-c1ccc(Cl)cc1,JLBKYQZKFDPCMI-UHFFFAOYSA-N,2,1,0.605,88,803,483.334,5.259,5,0.33,0.77,1.0,0.6851055445137414,0.8121273387704749,0.8541995065451305,0.9103214310191213,0.8154384552121171
EOS-2-38565,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5Cl)n34)c(F)c2)cn1,BYWNISJVZFOTGC-UHFFFAOYSA-N,2,1,0.583,88,70,483.334,5.259,5,0.33,0.81,1.0,0.8242666712356932,0.9055410869714208,0.930368035090124,0.942618737577959,0.9006986327187994
EOS-2-38566,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cc2F)n1,HIYLIRLBHMSXIW-UHFFFAOYSA-N,2,1,0.598,88,803,483.334,5.259,5,0.33,0.69,1.0,0.8987989171407031,0.9315074360907408,0.9008207113974368,0.9224436296347063,0.9133926735658968
EOS-2-38567,Cn1ncc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)c1-c1ccc(Cl)cc1,YPKVKCHHZFTVIJ-UHFFFAOYSA-N,2,1,0.641,88,752,483.334,5.259,5,0.33,0.72,1.0,0.6762045096292235,0.7957559454458227,0.8646768555959153,0.9135083270509218,0.8125364094304708
EOS-2-38568,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1F,YJRBECYODUASKT-UHFFFAOYSA-N,2,1,0.747,88,781,483.334,5.259,5,0.33,0.77,1.0,0.9445891302857926,0.929905421150024,0.9295370433829073,0.9375385511616751,0.9353925364950997
EOS-2-38569,Cn1c(Cl)ccc1-c1ccncc1-c1nnc2cncc(OCCc3c(F)cccc3Cl)n12,KTKXLZBFMALTBD-UHFFFAOYSA-N,2,1,0.583,84,749,483.334,5.259,5,0.33,0.61,1.0,0.7807124254677541,0.7450054828318826,0.9063549448290041,0.9284319100815571,0.8401261908025495
EOS-2-38570,Clc1ccc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)cn1,YOHNHRIGMFCIKV-UHFFFAOYSA-N,2,1,0.758,90,17,416.666,4.181,4,0.467,0.85,1.0,0.9650383798231786,0.9230947159207731,0.8413148516208622,0.8675639092591323,0.8992529641559865
EOS-2-38571,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1Cl,DQHITVMQELYBQC-UHFFFAOYSA-N,2,1,0.563,88,70,483.334,5.259,5,0.33,0.71,1.0,0.9168237269549723,0.9116064697416215,0.9277208553217737,0.9409910218627922,0.9242855184702898
EOS-2-38572,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cc2F)cn1,TZWPURPXCLEWQQ-UHFFFAOYSA-N,2,1,0.612,88,803,483.334,5.259,5,0.33,0.7,1.0,0.8618497704064149,0.9075800150777876,0.9243369200191899,0.9392776368994585,0.9082610856007127
EOS-2-38573,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)ccc1F,KXNZGFQQPCBWFN-UHFFFAOYSA-N,2,1,0.602,88,70,483.334,5.259,5,0.33,0.74,1.0,0.9112295250496881,0.9116150366664382,0.929545610307724,0.9417020766225755,0.9235230621616065
EOS-2-38574,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1-c1ccc(Cl)c(F)c1,BQUOWIMECFIDDT-UHFFFAOYSA-N,2,1,0.633,19,570,483.334,5.259,5,0.33,0.74,1.0,0.6821242546775409,0.7126139401000616,0.8809026111986841,0.918014529504489,0.7984138338701939
EOS-2-38575,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1-c1ccc(Cl)cc1,CBNMVCTYUVFXPK-UHFFFAOYSA-N,2,1,0.529,19,266,483.334,5.259,5,0.33,0.77,1.0,0.6573572750325544,0.7309385922829141,0.8661075320402988,0.9159327667740388,0.7925840415324515
EOS-2-38576,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1-c1cccc(Cl)c1,IQYWUVCFGCVCKU-UHFFFAOYSA-N,2,1,0.522,19,266,483.334,5.259,5,0.33,0.82,1.0,0.5741210335138098,0.6441299431156192,0.8585600712768144,0.9125402645466384,0.7473378281132205
EOS-2-38577,Cn1nc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1-c1ccc(Cl)cc1,LZMQAZVWGNYENU-UHFFFAOYSA-N,2,1,0.548,19,266,483.334,5.259,5,0.33,0.81,0.999,0.6396494414365019,0.7170773079295456,0.8495048317455967,0.9069374957165376,0.7782922692070454
EOS-2-38578,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4Cl)n23)cc1-c1ccc(F)cc1,PZTJVXJPMWFPKQ-UHFFFAOYSA-N,2,1,0.529,19,266,483.334,5.259,5,0.33,0.75,1.0,0.6513604276608869,0.6980416009869097,0.8661160989651154,0.9159413336988554,0.7828648653279419
EOS-2-38579,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)cc1F,CWEOWTCHFCQUMN-UHFFFAOYSA-N,2,1,0.59,88,803,483.334,5.259,5,0.33,0.74,1.0,0.939705983140292,0.9157442944280721,0.9168665615790556,0.9340689466109245,0.926596446439586
EOS-2-38580,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1-c1ccc(Cl)cc1,WXZLEBFZLOSIRM-UHFFFAOYSA-N,2,1,0.529,19,266,483.334,5.259,5,0.33,0.74,1.0,0.657365841957371,0.7262182167089302,0.8661246658899322,0.914844767322322,0.7911383729696388
EOS-2-38581,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1Cl,BDAZGMXUABTGNZ-UHFFFAOYSA-N,2,1,0.576,88,876,483.334,5.259,5,0.33,0.72,1.0,0.9183058049482558,0.9346600644232747,0.8937701322733191,0.9159499006236721,0.9156714755671305
EOS-2-38582,Clc1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1,POESZEMHYHVGKU-UHFFFAOYSA-N,2,1,0.671,90,708,416.666,4.181,4,0.499,0.87,1.0,0.8458210540744294,0.9589387293537112,0.7863151942978548,0.8419488040572956,0.8582559454458227
EOS-2-38583,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1Cl,KLRCGSQCVZDWIK-UHFFFAOYSA-N,2,1,0.705,88,781,483.334,5.259,5,0.33,0.75,1.0,0.9667089301624289,0.92497943938044,0.9356024261531081,0.9426273045027757,0.9424795250496882
EOS-2-38584,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Br)s5)n34)cn2)o1,KEIQYHKMIINSBD-UHFFFAOYSA-N,2,1,0.506,87,579,483.351,4.595,5,0.349,0.68,1.0,0.7216948804057296,0.7667226372421355,0.28340243986018776,0.24444863271879927,0.504067147556713
EOS-2-38585,Cn1cnnc1-c1cc(-c2nnc3cncc(OCCc4cnccc4Br)n23)cs1,LRZVQSHOHHIKJI-UHFFFAOYSA-N,2,1,0.489,65,779,483.355,3.427,5,0.365,0.64,1.0,0.39766808306490303,0.3467377150298129,0.1456548557329861,0.16477623192378862,0.2637092214378726
EOS-2-38586,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)nn2C)cn1,ILAXBGISCGHIKS-UHFFFAOYSA-N,2,1,0.593,95,381,483.363,4.337,5,0.342,0.72,1.0,0.34765437598519633,0.22006716469056267,0.4631707902131451,0.5135785758344185,0.3861177266808306
EOS-2-38587,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cccc(Cl)c1,GHNQEKFTFYFOOU-UHFFFAOYSA-N,2,1,0.547,1,31,483.38,6.414,5,0.279,0.69,1.0,0.8595195668562813,0.8912086217531355,0.9186313480912891,0.922452196559523,0.8979529333150573
EOS-2-38588,Cc1ncc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)s1,ZTFJSEOKEMHHPF-UHFFFAOYSA-N,2,1,0.57,35,669,483.384,5.547,5,0.295,0.75,1.0,0.8188952093756425,0.8984819409224865,0.7083219107669111,0.7479696388184497,0.7934171749708724
EOS-2-38589,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2Cl)cs1,DBJKRGZSGJGMGL-UHFFFAOYSA-N,2,1,0.588,11,669,483.384,5.547,5,0.295,0.77,1.0,0.8618583373312316,0.8912171886779522,0.7083304776917277,0.7453310259749161,0.8016842574189569
EOS-2-38590,Cc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c(-c2ccc(Cl)cc2)n1,IGENXABEPXZXRG-UHFFFAOYSA-N,2,1,0.5,11,639,483.384,5.547,5,0.315,0.74,1.0,0.9049157014598039,0.8884500719621684,0.5623158111164417,0.6735658967856898,0.7573118703310259
EOS-2-38591,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cc2)s1,STIVRIMPEBQTIP-UHFFFAOYSA-N,2,1,0.757,91,781,483.384,5.547,5,0.315,0.76,1.0,0.908111164416421,0.9418562812692756,0.687435748063875,0.7428123500788157,0.8200538859570969
EOS-2-38592,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccc2Cl)n1,LFRRLOJJTBMQNN-UHFFFAOYSA-N,2,1,0.495,37,639,483.384,5.547,5,0.315,0.59,1.0,0.8862569392091015,0.9390548968542252,0.6740970461243232,0.7401309026111987,0.8098849461997122
EOS-2-38593,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)ccn2)s1,RKHUIAZTMRUURC-UHFFFAOYSA-N,2,1,0.619,84,73,483.384,5.547,5,0.315,0.74,1.0,0.6940065793982592,0.7792303474744706,0.6984014118292098,0.7504454800904667,0.7305209546981015
EOS-2-38594,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)c2)s1,MNZDVLDGFBKOJG-UHFFFAOYSA-N,2,1,0.511,84,503,483.384,5.547,5,0.315,0.7,1.0,0.5741296004386266,0.6588736207251045,0.6984099787540264,0.7479782057432663,0.6698478514152559
EOS-2-38595,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)n1,WFGBCAHITWEKQS-UHFFFAOYSA-N,2,1,0.451,44,531,483.384,5.547,5,0.315,0.79,1.0,0.8412720169967788,0.792192104722089,0.5591374820094579,0.6735744637105064,0.716544016859708
EOS-2-38596,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5nc(Cl)ccc5Cl)n34)c2)cs1,BWDUVDYLTDBLMT-UHFFFAOYSA-N,2,1,0.484,11,684,483.384,5.547,5,0.295,0.77,1.0,0.7635785758344185,0.8161366595846755,0.5658625179905421,0.6419453772873689,0.6968807826742514
EOS-2-38597,Cc1csc(-c2ncccc2-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)n1,UXDZOMRIDZXWQV-UHFFFAOYSA-N,2,1,0.551,11,684,483.384,5.547,5,0.315,0.71,1.0,0.6911109588102254,0.834795421835378,0.5356041395380714,0.6419539442121855,0.6758661160989652
EOS-2-38598,Cc1csc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)n1,VBQLMTYDJKVZDX-UHFFFAOYSA-N,2,1,0.511,11,684,483.384,5.547,5,0.315,0.76,1.0,0.7635871427592351,0.8664673428825989,0.5915461585909122,0.6648362003975054,0.7216092111575629
EOS-2-38599,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cncnc5F)n34)cn2)ccc1OC(F)F,CDUWKTMETXMJDZ-UHFFFAOYSA-N,2,1,0.484,27,430,483.385,4.102,5,0.252,0.7,1.0,0.9367075594544583,0.9375556850113084,0.9431327530669591,0.9115208004934549,0.9322291995065453
EOS-2-38600,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)(F)F)cc5)nn4)n23)c1,CEOHQOZJZCFPPV-UHFFFAOYSA-N,2,1,0.489,54,691,483.385,4.26,5,0.331,0.76,1.0,0.757401823041601,0.8381279555890617,0.9509115208004935,0.9159584675484888,0.8655999417449112
EOS-2-38601,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(OC(F)F)nc5)n4)n23)cc1F,YURQFFWMSLHNAQ-UHFFFAOYSA-N,2,1,0.511,59,71,483.385,4.102,5,0.319,0.71,1.0,0.9066976218216709,0.9418648481940922,0.9052326776780207,0.8595109999314646,0.903326536906312
EOS-2-38602,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)n2)cn1,RDCJJMWUAOITFG-UHFFFAOYSA-N,2,1,0.517,27,679,483.385,4.26,5,0.261,0.71,1.0,0.9565228565554109,0.9571225412925776,0.9502690014392434,0.89991261736687,0.9409567541635255
EOS-2-38603,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)cc1F,NAYMCWFCYIOXDC-UHFFFAOYSA-N,2,1,0.58,57,138,483.4,5.729,5,0.299,0.79,1.0,0.9873809197450483,0.9738366116098965,0.9973528202316496,0.9958279076142827,0.9885995648002193
EOS-2-38604,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(C(F)(F)F)c(F)c4)n23)cc1,AATWTZXWKDBSMU-UHFFFAOYSA-N,2,1,0.56,57,138,483.4,5.729,5,0.299,0.73,1.0,0.9718747858268796,0.969416078404496,0.9954937975464327,0.9926153108080323,0.9823499931464602
EOS-2-38605,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)ccc2F)cn1,DDHBJKVJDYQLRI-UHFFFAOYSA-N,2,1,0.588,1,138,483.4,5.729,5,0.236,0.73,1.0,0.989454115550682,0.9748475087382633,0.9980467411417997,0.996933040915633,0.9898203515865944
EOS-2-38606,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(C(F)(F)F)c5)n34)c2)nc1,YIFUWYDUKAJMMZ-UHFFFAOYSA-N,2,1,0.529,57,138,483.4,5.729,5,0.299,0.74,1.0,0.9594013432938112,0.9467479953395929,0.9966246316222329,0.9937290110341992,0.974125745322459
EOS-2-38607,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)ccc2F)cc1,QRCDXVBAMWYFEZ-UHFFFAOYSA-N,2,1,0.554,57,461,483.4,5.729,5,0.299,0.77,1.0,0.9711123295181961,0.9726543759851963,0.9949540812829827,0.992623877732849,0.9828361661298061
EOS-2-38608,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4F)n23)cc1-c1ccccn1,ROALGOJIKNEODO-UHFFFAOYSA-N,2,1,0.541,57,138,483.4,5.729,5,0.299,0.72,1.0,0.9738109108354465,0.9678997327119457,0.9968131039681996,0.994662805839216,0.9832966383387018
EOS-2-38609,Cc1nccc(COc2cncc3nnc(-c4c(F)cc(-c5ccc(F)cc5F)cc4F)n23)c1F,VJWXFHYDMTUHGB-UHFFFAOYSA-N,2,1,0.506,34,146,483.4,5.436,5,0.312,0.67,1.0,0.9445976972106093,0.940322801727092,0.9856761017065314,0.9835600712768144,0.9635391679802618
EOS-2-38610,COc1nc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)ccc1-c1noc(C)n1,UPZQQJIDBPEQSL-UHFFFAOYSA-N,2,1,0.433,49,896,483.41,3.592,5,0.321,0.59,0.999,0.6638681378932219,0.5531749023370571,0.4876807621136317,0.4187255842642725,0.5308623466520458
EOS-2-38611,COc1nc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)cc4)n23)ccc1-c1ncon1,BQCLOIGFUSYCAJ-UHFFFAOYSA-N,2,1,0.5,49,896,483.41,3.885,5,0.34,0.58,0.997,0.7665769995202522,0.5256750736755534,0.8413234185456788,0.664844767322322,0.6996050647659516
EOS-2-38612,COc1cccnc1COc1cncc2nnc(-c3ccc(-c4nncn4CC(F)(F)F)nc3)n12,AFPMXKGXCWWWTF-UHFFFAOYSA-N,2,1,0.455,27,185,483.414,2.99,5,0.344,0.65,1.0,0.4958621753135494,0.5347046124323213,0.5458930162428894,0.37463162223288327,0.4877728565554108
EOS-2-38613,COCn1c(COc2cncc3nnc(-c4ccc(C(F)F)c(F)c4)n23)nnc1-c1cccnn1,GIVHKKIVZONSIE-UHFFFAOYSA-N,2,1,0.418,36,404,483.414,3.099,5,0.328,0.63,0.994,0.4018744431498869,0.5074960592145843,0.387225001713385,0.4187341511890892,0.4288324138167363
EOS-2-38614,COc1nnc(-c2ccc(-c3nnc4cncc(Oc5cnc(-c6cnccc6F)cn5)n34)cc2)o1,GYEFWEWFDRPGEU-UHFFFAOYSA-N,2,1,0.406,40,622,483.423,3.633,6,0.343,0.72,1.0,0.7277945308751971,0.5968576519772463,0.35332568021383043,0.2711860050716195,0.48729096703447333
EOS-2-38615,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cn(CC(F)(F)F)nn5)cc4)n23)c1,PJNSZTBREVGRQI-UHFFFAOYSA-N,2,1,0.616,91,781,483.429,4.373,5,0.32,0.69,1.0,0.5883849633335618,0.6832636556781577,0.9158899321499554,0.8764992118429169,0.766009440751148
EOS-2-38616,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(C(F)(F)F)c4)n23)cc1F,ZFDRBPGXCBPMFJ-UHFFFAOYSA-N,2,1,0.552,35,353,483.429,4.366,5,0.334,0.67,1.0,0.8684120348159825,0.8722585840586663,0.9642673565896785,0.9169179631279556,0.9054639846480708
EOS-2-38617,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)c(F)c1,PUGWNEMMMAVDGI-UHFFFAOYSA-N,2,1,0.533,88,70,483.429,4.248,5,0.254,0.59,1.0,0.8292526214789939,0.845007196216846,0.8602306216160647,0.8473716674662464,0.8454655266945377
EOS-2-38618,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(F)cc(F)c(F)c4F)n23)ccn1,FQSWTXINRMQZHV-UHFFFAOYSA-N,2,1,0.5,26,864,483.429,4.248,5,0.196,0.68,1.0,0.6940151463230758,0.5392793502844219,0.8716417654718662,0.8278390788842437,0.7331938352409019
EOS-2-38619,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)n4)n23)ccc1F,VMSRBAVDIOHVAZ-UHFFFAOYSA-N,2,1,0.511,27,911,483.429,4.632,5,0.339,0.79,0.994,0.5240901925844699,0.7126225070248784,0.9478959632650263,0.8612158179699815,0.7614561202110891
EOS-2-38620,FCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cn5)n34)cc2)cn1,LKRPEGZGNXSFJH-UHFFFAOYSA-N,2,1,0.528,27,519,483.429,4.617,5,0.314,0.7,1.0,0.40622644095675414,0.5488743060790898,0.9484271126036597,0.8877475841272017,0.6978188609416763
EOS-2-38621,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)no2)cc1,MFCKVCCUELMJMX-UHFFFAOYSA-N,2,1,0.511,12,427,483.438,4.761,6,0.312,0.61,1.0,0.742829483928449,0.6980501679117264,0.6605270372147214,0.682689671715441,0.6960240901925844
EOS-2-38622,COc1cc(-c2nnco2)cc(F)c1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3F)n12,UJKWQECPACGLHX-UHFFFAOYSA-N,2,1,0.326,3,923,483.438,4.857,6,0.343,0.61,1.0,0.5795181961483106,0.6061270646288808,0.8069015146323076,0.7660886848057021,0.6896588650538004
EOS-2-38623,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cnco6)c5)n34)cc2)c(F)cn1,SGPSDBPFLORIHS-UHFFFAOYSA-N,2,1,0.484,41,78,483.438,4.761,6,0.312,0.65,1.0,0.9210986224384895,0.787882941539305,0.8617726680830649,0.8179528476458091,0.8471767699266671
EOS-2-38624,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccc(F)c6)o5)n34)cn2)cc1,YVIPJMHNXLRUAE-UHFFFAOYSA-N,2,1,0.467,77,937,483.438,4.761,6,0.334,0.83,1.0,0.6280755260091837,0.7216006442327462,0.6768555959152902,0.7187307244191625,0.6863156226440956
EOS-2-38625,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6nnco6)c5)n34)cc2)n1,UKWIHUZVZIXYAA-UHFFFAOYSA-N,2,1,0.54,77,323,483.438,4.761,6,0.312,0.54,1.0,0.9250137070797066,0.7667312041669523,0.829869440065794,0.8008361318621068,0.83061262079364
EOS-2-38626,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6nnco6)c5)n34)cc2)nc1,OGXZIWRIZKFLQD-UHFFFAOYSA-N,2,1,0.56,77,323,483.438,4.761,6,0.334,0.68,1.0,0.9405883763964088,0.7708604619285861,0.8397385374545953,0.8162051949832089,0.8418481426906997
EOS-2-38627,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cc2)cc1F,WDUKUMFSCJCUIJ-UHFFFAOYSA-N,2,1,0.511,12,492,483.438,4.761,6,0.334,0.69,1.0,0.7749040504420533,0.7170858748543623,0.7966126379274896,0.7849016517031047,0.7683760537317526
EOS-2-38628,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(-c6nnco6)nc5)c4)n23)cc1F,CDUQYBCBXBGSCC-UHFFFAOYSA-N,2,1,0.545,77,177,483.438,4.761,6,0.334,0.73,1.0,0.8881844972928518,0.7749468850661366,0.8495133986704133,0.8318826673977109,0.8361318621067781
EOS-2-38629,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cccc(-c6ccccn6)c5)n4)n23)c(F)c1,SRFCGVQPSQOUCT-UHFFFAOYSA-N,2,1,0.479,28,177,483.438,4.761,6,0.334,0.73,1.0,0.585463641971078,0.6391611267219519,0.6432304160098691,0.6735830306353231,0.6353595538345556
EOS-2-38630,FC(F)Oc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,PTCCTTBZQKRLDK-UHFFFAOYSA-N,2,1,0.367,69,152,483.438,5.172,6,0.32,0.73,1.0,0.602897333972997,0.5921715441025289,0.8730039065177164,0.8359091220615448,0.7259954766636969
EOS-2-38631,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)no2)c(F)c1,RYHFMRKYGXLCIH-UHFFFAOYSA-N,2,1,0.438,77,177,483.438,4.761,6,0.334,0.71,1.0,0.5445051744225893,0.4668460009594956,0.8030206976903571,0.8071927900760743,0.655391165787129
EOS-2-38632,Fc1ccc(F)c(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)c2)c1,DPWKPRRHBWZSQA-UHFFFAOYSA-N,2,1,0.432,77,177,483.438,4.761,6,0.334,0.69,1.0,0.7185850866972792,0.5717565622644095,0.8298780069906107,0.8219793023096429,0.7355497395654855
EOS-2-38633,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5F)n34)cc2)n1,RXKLDTYGRVWJIA-UHFFFAOYSA-N,2,1,0.494,77,323,483.438,4.761,6,0.312,0.55,1.0,0.9112380919745048,0.7493060790898499,0.8397471043794119,0.8094116236035912,0.8274257247618395
EOS-2-38634,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5nnc(-c6cccnc6)n5)cc4)n23)cc1F,WWQUINKLPIMHBK-UHFFFAOYSA-N,2,1,0.545,77,177,483.442,3.686,6,0.353,0.75,1.0,0.6057501199369474,0.5531834692618738,0.6338067987115346,0.6390326228497019,0.6079432526900144
EOS-2-38635,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)c(F)c1,ZUJSRTLNBKCERS-UHFFFAOYSA-N,2,1,0.457,40,425,483.442,3.891,6,0.379,0.64,1.0,0.8189037763004592,0.6346120896443013,0.7009457884997601,0.6621033513809883,0.7041412514563772
EOS-2-38636,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6nn[nH]n6)n5)n34)c2)cc1F,BRUROLKRFAVWST-UHFFFAOYSA-N,2,1,0.5,57,80,483.442,3.891,6,0.379,0.74,1.0,0.5523353437050237,0.5581522856555411,0.6768641628401069,0.6995151120553766,0.6217167260640121
EOS-2-38637,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5-c5nn[nH]n5)n34)c2)nc1F,RXDKFKOTWOBGCY-UHFFFAOYSA-N,2,1,0.449,77,177,483.442,3.891,6,0.355,0.63,1.0,0.7835652114317044,0.6686998834898225,0.6768727297649236,0.6766328558700568,0.7014426701391268
EOS-2-38638,FC(F)Oc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1,SXAJKSUADWNDKN-UHFFFAOYSA-N,2,1,0.394,3,158,483.442,4.097,6,0.348,0.74,1.0,0.14707696525255295,0.40877938455212115,0.6132290453018985,0.6390411897745185,0.4520316462202728
EOS-2-38639,FC(F)Oc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nn2)cc1,BVNVCBQHFSWAAG-UHFFFAOYSA-N,2,1,0.448,38,50,483.442,4.097,6,0.348,0.66,1.0,0.06802994996915906,0.27662600233020357,0.77475841272017,0.7479867726680831,0.46685028442190396
EOS-2-38640,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)n2)cc1,OZQZJBZPIUUMHX-UHFFFAOYSA-N,2,1,0.489,77,288,483.442,3.686,6,0.33,0.59,1.0,0.41730347474470564,0.46685456788431223,0.5256236721266534,0.5945017476526626,0.5010708656020835
EOS-2-38641,COc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cc5F)n34)cn2)n1,ZWSSIKTYWLSFTJ-UHFFFAOYSA-N,2,1,0.337,42,151,483.442,3.783,6,0.341,0.65,0.784,0.11144712494003152,0.3611472825714482,0.6132376122267151,0.5727074909190597,0.4146348776643136
EOS-2-38642,Fc1ccc(-n2cc(COc3cncc4nnc(-c5cccc(-c6ccc(F)nn6)c5)n34)nn2)cc1,NUUNUFQXPBSSAP-UHFFFAOYSA-N,2,1,0.588,77,104,483.442,3.686,6,0.353,0.7,1.0,0.2247447056404633,0.39944143650195324,0.5788157083133438,0.6031115070934138,0.45152833938729353
EOS-2-38643,FC(F)Oc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,BWHFDFPBWMKWAM-UHFFFAOYSA-N,2,1,0.41,3,158,483.442,4.097,6,0.348,0.8,1.0,0.11145569186484819,0.3659790281680488,0.6279555890617504,0.6476766499897197,0.4382667397710918
EOS-2-38644,Fc1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncccc6F)cn5)n34)nc2)c1,FUYVZWSCICZEGW-UHFFFAOYSA-N,2,1,0.443,6,547,483.442,3.686,6,0.353,0.59,0.995,0.3207970666849428,0.33664587759577824,0.5658710849153588,0.5500651086286067,0.44334478445617165
EOS-2-38645,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nc5)n34)cn2)cc1F,KDZHBQQTFITXOB-UHFFFAOYSA-N,2,1,0.468,59,801,483.442,3.686,6,0.353,0.7,1.0,0.47385374545952985,0.41365396477280514,0.7241364539784799,0.6881982043725584,0.5749605921458433
EOS-2-38646,Fc1ccc(-n2nnnc2COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1F,FVMWJKUCMFGRGD-UHFFFAOYSA-N,2,1,0.417,77,807,483.442,3.686,6,0.353,0.69,1.0,0.4173120416695223,0.4936690425604825,0.48768932903844836,0.5852494688506613,0.4959799705297786
EOS-2-38647,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(Cc6cc(F)c(F)cn6)n5)n34)cc2)cn1,GCXWHSXIYBLENL-UHFFFAOYSA-N,2,1,0.284,98,635,483.446,2.932,6,0.364,0.65,0.99,0.2467017339455829,0.2609228291412515,0.22502741415941332,0.2918836954286889,0.25613391816873415
EOS-2-38648,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nn2)nc1C(F)F,JFJJKQYJZRWPHZ-UHFFFAOYSA-N,2,1,0.293,98,63,483.446,3.438,6,0.362,0.69,0.479,0.17724967445685696,0.20075731615379344,0.2760777191419368,0.28597251730518813,0.23501430676444385
EOS-2-38649,COc1nc(-c2nnc3cncc(OCc4cccc(-c5noc(C)n5)n4)n23)ccc1-c1ccon1,VLKUPRFIQSFKBC-UHFFFAOYSA-N,2,1,0.412,49,984,483.448,3.182,6,0.328,0.49,0.995,0.2413816736344322,0.1393924336920019,0.05991707216777466,0.029847166061270646,0.11763458638886985
EOS-2-38650,COc1nc(-c2nnc3cncc(OCc4nc(-c5ccccc5)no4)n23)ccc1-c1noc(C)n1,PLEPMJWEIBJOKO-UHFFFAOYSA-N,2,1,0.394,28,857,483.448,3.182,6,0.328,0.62,1.0,0.2868891782605716,0.2051864162840107,0.028013844150503734,0.015429031594818723,0.13387961757247618
EOS-2-38651,COc1ncc(-c2nnco2)cc1COc1cncc2nnc(-c3c(-c4ccccn4)noc3C)n12,HPNLTDRWOAPDQG-UHFFFAOYSA-N,2,1,0.373,6,843,483.448,3.182,6,0.328,0.55,1.0,0.24671030087039955,0.11222671509834829,0.06601672263724213,0.037077650606538275,0.11550784730313206
EOS-2-38652,COc1nc(-c2nnc3cncc(OCCc4noc(-c5cccnc5)n4)n23)ccc1-c1ncco1,WKPIGWZFZNUQHL-UHFFFAOYSA-N,2,1,0.394,49,501,483.448,2.916,6,0.313,0.61,0.998,0.34766294291001304,0.1320248783496676,0.03395072304845453,0.019464053183469263,0.1332756493729011
EOS-2-38653,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nnnn6C)on5)n34)cc2)cn1,ISWNMEXRHIOLDL-UHFFFAOYSA-N,2,1,0.511,56,415,483.452,2.014,6,0.326,0.57,1.0,0.3160167226372421,0.21012096497841135,0.04543040230278939,0.026960112398053595,0.14963205057912413
EOS-2-38654,COc1nc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)ccc1-c1nnco1,MGMZWWSVFQNVCM-UHFFFAOYSA-N,2,1,0.34,6,549,483.452,2.014,6,0.326,0.52,0.886,0.2163576862449455,0.07286169556575972,0.059925639092591326,0.026968679322870264,0.09402842505654171
EOS-2-38655,COc1cc(-c2nnc3cncc(OCc4noc(-c5ncccn5)n4)n23)ccc1-c1nncn1C,MNPMPZLKUBLQGD-UHFFFAOYSA-N,2,1,0.412,56,428,483.452,2.014,6,0.326,0.67,1.0,0.30302069769035705,0.1787574532245905,0.02577787677335344,0.012730450277568365,0.13007161949146734
EOS-2-38656,COc1nc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)ccc1-c1ncon1,WFBPEJZIDGCULI-UHFFFAOYSA-N,2,1,0.35,80,816,483.452,2.014,6,0.326,0.55,0.99,0.259980467411418,0.0897899390034953,0.05438283873620725,0.02427866493043657,0.10710797752038928
EOS-2-38657,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(C(F)F)cn5)c4)n23)cc1,JFVRWJNWNXYVJP-UHFFFAOYSA-N,2,1,0.356,93,774,483.457,5.783,6,0.311,0.77,1.0,0.011865190871084915,0.3467462819546296,0.955511959427044,0.9539185114111438,0.5670104859159756
EOS-2-38658,Cc1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5F)c4)n23)c(-c2ccc(F)cc2)n1,LVJYDCGHBOUHNI-UHFFFAOYSA-N,2,1,0.315,3,673,483.457,5.432,6,0.334,0.72,0.991,0.057175656226440955,0.322596120896443,0.9042217805496539,0.9159670344733054,0.5499901480364608
EOS-2-38659,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5c(-c6ccc(F)cc6)noc5C)n34)cc2)o1,LGHWGVBFXNJWDK-UHFFFAOYSA-N,2,1,0.553,77,937,483.463,4.831,6,0.328,0.7,1.0,0.8161966280583921,0.7708690288534028,0.4016345692550202,0.3649081625659653,0.5884020971831951
EOS-2-38660,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(-c6nccn6CCO)c5)n34)nc2)no1,BHXICRLRHAIIRF-UHFFFAOYSA-N,2,1,0.293,42,977,483.467,3.207,6,0.379,0.69,1.0,0.30033925022274005,0.297400795010623,0.2397539579192653,0.2414844767322322,0.2697446199712151
EOS-2-38661,Cc1nc(-c2cccc(COc3cncc4nnc(-c5cc(-c6cccc(F)c6)n(C)n5)n34)n2)no1,REWDOJSPBJPSHP-UHFFFAOYSA-N,2,1,0.43,81,218,483.467,3.663,6,0.349,0.69,0.995,0.3359605236104448,0.38488623123843463,0.18377767116715785,0.19224179288602564,0.27421655472551576
EOS-2-38662,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnn(C)c6)cn5)n34)c(F)c2)o1,CEXFFKNCLWMTOK-UHFFFAOYSA-N,2,1,0.489,71,117,483.467,3.663,6,0.349,0.62,1.0,0.45909293400041123,0.49851792200671646,0.4271040367349736,0.32609999314646015,0.42770372147214036
EOS-2-38663,COc1cc(-c2nncn2C)ccc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)c(F)c3)n12,FZYXXOVWLDELGS-UHFFFAOYSA-N,2,1,0.429,67,722,483.467,3.917,6,0.378,0.7,1.0,0.6308940442738674,0.5771194571996436,0.5560276883010075,0.44401514632307587,0.5520140840243986
EOS-2-38664,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnc(C)n6C)cc5)n34)cc2F)o1,KNJXBQCLTSHJDN-UHFFFAOYSA-N,2,1,0.517,67,722,483.467,4.185,6,0.355,0.68,1.0,0.5741381673634433,0.582396682886711,0.232489205674731,0.21259680625042834,0.4004052155438284
EOS-2-38665,Cn1nc(-c2ccc(F)cc2)nc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,QAOGVQBOVUSQOE-UHFFFAOYSA-N,2,1,0.558,67,755,483.467,3.397,6,0.336,0.62,1.0,0.7807209923925708,0.6543160167226373,0.15478719758755397,0.19468336645877596,0.44612689329038446
EOS-2-38666,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)n(C)n2)o1,BCTSFVLRBQUBRE-UHFFFAOYSA-N,2,1,0.43,81,755,483.467,3.663,6,0.327,0.62,1.0,0.5212545404701528,0.5163542594750189,0.2719227606058529,0.25326399835515045,0.39069888972654376
EOS-2-38667,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ncc(F)cn6)nn5C)n34)cc2)o1,RJKKVEQUTOEXIU-UHFFFAOYSA-N,2,1,0.447,56,415,483.467,3.663,6,0.349,0.64,1.0,0.5997961071893633,0.6013552875059969,0.2540178877390172,0.20038037146186005,0.41388741347405933
EOS-2-38668,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(-c6cnn(C)c6)cn5)n34)cc2)o1,JCQHKKPFWHIZKL-UHFFFAOYSA-N,2,1,0.478,71,117,483.467,3.663,6,0.349,0.67,1.0,0.5367863751627716,0.5029298882873003,0.43452299362620794,0.33267082448084434,0.451727520389281
EOS-2-38669,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)n(C)n2)o1,OORKLLRDNDDDME-UHFFFAOYSA-N,2,1,0.441,81,218,483.467,3.663,6,0.349,0.69,1.0,0.4909875950928655,0.5439226235350558,0.23249777259954765,0.23563326708244808,0.37576031457747927
EOS-2-38670,Cc1onc(-c2ccc(F)cn2)c1COc1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,MKYSCLKMUUUVDS-UHFFFAOYSA-N,2,1,0.5,67,415,483.467,3.663,6,0.349,0.59,1.0,0.7397196902199986,0.5626499211842917,0.2217634158042629,0.21812247275717908,0.4355638749914331
EOS-2-38671,Cc1coc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ncc(F)n(C)c6=O)nn5C)n34)cc2)n1,LHSXEACUFFVSPJ-UHFFFAOYSA-N,2,1,0.308,38,193,483.467,3.055,6,0.375,0.55,0.977,0.2385545884449318,0.2766345692550202,0.14877321636625318,0.14894455486258654,0.20322673223219792
EOS-2-38672,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncon5)n4)n23)c(F)c1,USMPSZMPESKHPL-UHFFFAOYSA-N,2,1,0.44,6,414,483.467,3.838,6,0.333,0.61,0.999,0.49587074223836614,0.46268247549859504,0.3381108217394284,0.29189226235350557,0.3971390754574738
EOS-2-38673,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnco5)c4)n23)cc1,FXTVLBSDQMQANS-UHFFFAOYSA-N,2,1,0.534,67,755,483.467,3.838,6,0.333,0.64,1.0,0.7517990542115003,0.5717651291892263,0.3982677678020698,0.36181550270714824,0.5209118634774862
EOS-2-38674,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccnc6)o5)n34)cc2F)n(C)n1,YAGCKLFRIKTLMT-UHFFFAOYSA-N,2,1,0.5,71,415,483.467,3.663,6,0.349,0.64,1.0,0.5111541361113014,0.507504626139401,0.2795730244671373,0.24445719964361592,0.3856722465903639
EOS-2-38675,Cc1c(F)cccc1-n1cnc(COc2cncc3nnc(-c4ccc(-c5nnn(C)n5)cc4)n23)n1,KLHRNHGNPHEZMG-UHFFFAOYSA-N,2,1,0.433,67,807,483.471,2.589,6,0.351,0.61,1.0,0.3911829209786855,0.3945240216571859,0.1366510177506682,0.13468062504283462,0.26425964635734356
EOS-2-38676,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nnn(-c6ccccc6)n5)n34)cc2F)n(C)n1,QOTGUHDAMZWOIF-UHFFFAOYSA-N,2,1,0.429,67,288,483.471,2.589,6,0.351,0.54,0.928,0.33596909053526147,0.44488040572955934,0.05251524912617367,0.06422623535055856,0.22439774518538827
EOS-2-38677,Cn1nc(-c2cccc(F)c2)nc1COc1cncc2nnc(-c3ccc(-c4nnnn4C)cc3)n12,DIBCNUQLXXCUQQ-UHFFFAOYSA-N,2,1,0.494,67,402,483.471,2.495,6,0.351,0.71,1.0,0.49099616201768215,0.6013638544308135,0.07022308272222604,0.09725173051881297,0.3149587074223837
EOS-2-38678,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)nn4C)n23)c(F)c1,YDAQNUNZTNRBNC-UHFFFAOYSA-N,2,1,0.448,71,765,483.471,2.495,6,0.351,0.68,1.0,0.4738623123843465,0.5439311904598725,0.05993420601740799,0.07114831060242616,0.28721900486601326
EOS-2-38679,Cc1ncn(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)n4)n23)n1,JUQLQLPHHTYVPT-UHFFFAOYSA-N,2,1,0.364,46,62,483.471,2.589,6,0.329,0.58,0.779,0.26537763004591874,0.22543005962579674,0.13057706805565075,0.10563018298951408,0.18175373517922008
EOS-2-38680,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ncc(F)cn6)nn5C)n34)cc2)n[nH]1,ILJAAATVWRFAEN-UHFFFAOYSA-N,2,1,0.423,56,425,483.471,2.793,6,0.379,0.67,1.0,0.48349153587828114,0.4626910424234117,0.11661298060448222,0.0933023781783291,0.28902448427112604
EOS-2-38681,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)n(C)n1,XSQREZWRCPUQNF-UHFFFAOYSA-N,2,1,0.35,67,789,483.471,3.192,6,0.351,0.58,0.999,0.47617538208484683,0.5300784730313207,0.11662154752929889,0.11500239873894867,0.30946945034610374
EOS-2-38682,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnnn4-c4ccc(F)cc4)n23)cc1,MDDRISGQNKLNBK-UHFFFAOYSA-N,2,1,0.457,67,807,483.471,2.764,6,0.337,0.64,1.0,0.4591015009252279,0.4668631348091289,0.1055188129668974,0.1466314851620862,0.2945287334658351
EOS-2-38683,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5nccn5)nn4)n23)c(F)c1,AGIVBWDKORYLML-UHFFFAOYSA-N,2,1,0.412,71,208,483.471,2.764,6,0.337,0.58,0.997,0.3232900418065931,0.36115584949626484,0.18043657048865738,0.16222328832842162,0.25677643752998425
EOS-2-38684,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)cc4)n23)cc1F,QIVIRTLIZGEZKD-UHFFFAOYSA-N,2,1,0.545,67,402,483.471,2.495,6,0.351,0.67,1.0,0.6668494277294222,0.6109930779247481,0.22177198272907958,0.22682646837091358,0.43161023918854086
EOS-2-38685,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nncn6C)c(F)c5)n34)cn2)cn1,OSHNMJFRVFTPQO-UHFFFAOYSA-N,2,1,0.453,71,614,483.471,2.495,6,0.351,0.65,1.0,0.4428671783976424,0.5075131930642177,0.2504197793160167,0.20347303132067712,0.35106829552463853
EOS-2-38686,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cnc(-n6cccn6)nn5)n34)ccc2F)cn1,VPHCSFMZZODXCZ-UHFFFAOYSA-N,2,1,0.484,71,394,483.471,2.323,6,0.336,0.62,1.0,0.43127612912069085,0.42273490507847306,0.14878178329106984,0.15952470701117127,0.2905793811253512
EOS-2-38687,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(C(F)(F)F)c5)n34)c2)s1,IZQLWSALGSKQGD-UHFFFAOYSA-N,2,1,0.469,18,840,483.479,4.654,5,0.347,0.59,1.0,0.685114111438558,0.5968662189020629,0.8461208964430128,0.6648533342471387,0.6982386402576931
EOS-2-38688,CCn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4F)n23)c(F)c1,HCJVZIDRWGZDFT-UHFFFAOYSA-N,2,1,0.325,67,745,483.486,4.415,6,0.361,0.67,1.0,0.24671886779521623,0.3226046878212597,0.5819340689466109,0.5822253443903777,0.43337074223836614
EOS-2-38689,CCc1c(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(-c2cccc(F)c2F)nn1C,NWURMBIFIPPXDL-UHFFFAOYSA-N,2,1,0.298,9,7,483.486,4.485,6,0.388,0.6,1.0,0.16370536632170515,0.29740936193543965,0.46317935713796177,0.5033753683777671,0.35691736344321845
EOS-2-38690,Cc1cc(-c2cnnn2C)ccc1-c1cncc2nnc(-c3cnn(C)c3-c3ccc(F)c(F)c3)n12,IUHOVACLOWOOMR-UHFFFAOYSA-N,2,1,0.32,98,314,483.486,4.241,6,0.373,0.63,1.0,0.17725824138167365,0.2458793091631828,0.6712271263107394,0.6677917894592557,0.4405391165787129
EOS-2-38691,COc1cc(-c2nnc3cncc(OCCc4cnc5ccccn45)n23)ccc1-c1coc(=O)n1C,QREVNDHOJIYAFW-UHFFFAOYSA-N,2,1,0.43,15,777,483.488,3.028,6,0.34,0.57,1.0,0.3845863888698513,0.1621547529298883,0.2504283462408334,0.18129326297032416,0.2446156877527243
EOS-2-38692,Cc1nn(C)cc1-c1cccc(-c2nnc3cncc(OCCc4ccsc4)n23)c1,DSCGDGXEGVQQGL-UHFFFAOYSA-N,2,1,0.564,15,545,416.51,4.183,5,0.415,0.69,1.0,0.33105167569049415,0.2254386265506134,0.38723356863820163,0.30445994105955726,0.3120459529847166
EOS-2-38693,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1,FDQOVIPPULLDGH-UHFFFAOYSA-N,2,1,0.531,15,619,416.51,4.358,5,0.394,0.75,1.0,0.6638767048180385,0.4182458364745391,0.4120433829072716,0.3421544102528956,0.4590800836131862
EOS-2-38694,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccsc4)n23)c1,YRVVHJBAHZAADD-UHFFFAOYSA-N,2,1,0.524,26,438,416.51,4.358,5,0.394,0.71,1.0,0.4404684394489754,0.26093139606606813,0.39451545473236926,0.33267939140566105,0.3571486704132685
EOS-2-38695,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncs6)cn5)n34)cn2)cn1,ZVLLMDPTVSEFIF-UHFFFAOYSA-N,2,1,0.418,80,518,483.492,3.88,6,0.325,0.69,1.0,0.6309026111986841,0.6543245836474539,0.4016431361798369,0.37134192310328284,0.5145530635323144
EOS-2-38696,COc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)nc2)s1,JXKJHCIGYHYYSY-UHFFFAOYSA-N,2,1,0.33,32,392,483.492,3.977,6,0.336,0.71,0.997,0.40623500788157085,0.4537557398396272,0.28341100678500447,0.2654204646700021,0.35220555479405113
EOS-2-38697,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)nn4)n23)ccc1-c1cncnc1,VNHQOTITUADXHU-UHFFFAOYSA-N,2,1,0.444,80,621,483.492,3.88,6,0.348,0.69,1.0,0.7278030978000137,0.6687084504146391,0.4195822767459393,0.44081968336645877,0.5642283770817628
EOS-2-38698,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)sn2)ccn1,YKQMEZQHBYTEIM-UHFFFAOYSA-N,2,1,0.421,80,277,483.492,3.88,6,0.325,0.5,1.0,0.5367949420875883,0.5824052498115276,0.38354979096703445,0.35819169350969776,0.46523541909396204
EOS-2-38699,Fc1cnc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,PGWFLQYIFLELAM-UHFFFAOYSA-N,2,1,0.462,81,120,483.492,3.88,6,0.348,0.7,1.0,0.6701134260845727,0.6491073264341032,0.2760862860667535,0.2859810842300048,0.47032203070385853
EOS-2-38700,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)cnn1,LSMUTADHPPJONF-UHFFFAOYSA-N,2,1,0.439,40,355,483.492,3.88,6,0.348,0.7,1.0,0.5212631073949695,0.6110016448495648,0.3797632101980673,0.3582002604345144,0.467557055719279
EOS-2-38701,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)cn4)n23)nc1-c1cncnc1,XCIQNOATFJTRHI-UHFFFAOYSA-N,2,1,0.427,6,280,483.492,3.88,6,0.348,0.68,0.992,0.5035467068741005,0.5256836406003701,0.33811938866424507,0.31691624974299226,0.421066496470427
EOS-2-38702,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cscn6)n5)n34)cn2)cn1,UFVGUJQZUKRESA-UHFFFAOYSA-N,2,1,0.421,6,297,483.492,3.88,6,0.325,0.67,1.0,0.5160030155575355,0.5771280241244603,0.3872421355630183,0.36491672949078197,0.461322476183949
EOS-2-38703,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)nn5)n34)nc2)cc1,ALFNQFBLUVRZMR-UHFFFAOYSA-N,2,1,0.415,81,218,483.492,3.88,6,0.348,0.68,0.919,0.39119148790350217,0.47117229799191285,0.3607360701802481,0.41874271811390584,0.41046064354739226
EOS-2-38704,CC(CCO)n1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnc5ccccn45)n23)cn1,OANWUOUPLGZGGO-UHFFFAOYSA-N,2,1,0.342,36,502,483.496,2.01,6,0.341,0.6,0.999,0.2707062572818861,0.15838530601055445,0.04369131656500583,0.04446233979850593,0.12931130491398807
EOS-2-38705,CSc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)nc5)n34)nc2)n[nH]1,FKZUGRSITZJKLT-UHFFFAOYSA-N,2,1,0.318,86,812,483.496,3.351,6,0.363,0.67,0.989,0.22475327256527997,0.2816376533479542,0.1366595846754849,0.14399287231855254,0.1967608457268179
EOS-2-38706,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)n(CC)n1,NXDSBRCZMHRJEP-UHFFFAOYSA-N,2,1,0.372,67,789,483.5,2.269,6,0.331,0.63,1.0,0.27319923240353644,0.19132513193064218,0.007050579124117606,0.003957919265300528,0.1188832156808992
EOS-2-38707,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5nnn(CCn6cccn6)n5)n34)nc2)cn1,BINHTPDQXZOTFZ-UHFFFAOYSA-N,2,1,0.375,92,549,483.5,1.091,6,0.293,0.6,1.0,0.1772668083064903,0.08340758001507778,0.004266328558700569,0.003092659858817079,0.06700834418477143
EOS-2-38708,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(C(F)F)cs4)n23)cc1OC,NQRMQLMNQKTGTL-UHFFFAOYSA-N,2,1,0.464,27,248,483.504,4.656,5,0.317,0.68,0.994,0.3976766499897197,0.4802275375231307,0.5623243780412583,0.3649252964155987,0.45128846549242685
EOS-2-38709,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3cccc(-c4nc5ccccc5o4)c3)n12,PLOGLKBVNMBCHM-UHFFFAOYSA-N,2,1,0.341,21,993,483.506,7.073,7,0.268,0.79,1.0,0.44996915907066,0.5968747858268796,0.8890583236241518,0.912548831471455,0.7121127749982866
EOS-2-38710,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc7ccccc7n6)o5)n34)cc2)c1,NKPUGOISDCZOHA-UHFFFAOYSA-N,2,1,0.357,21,993,483.506,7.073,7,0.268,0.79,1.0,0.39341888835583577,0.5347131793571379,0.9073744088821877,0.9284404770063738,0.6909867384003837
EOS-2-38711,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)cc1F,GPQXNMCUQQWXRH-UHFFFAOYSA-N,2,1,0.329,32,192,483.507,5.625,6,0.323,0.65,0.986,0.2467274347200329,0.4668717017339456,0.7422726338153657,0.7684531560551024,0.5560812315811117
EOS-2-38712,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5F)n34)nc2)n1,XPZQUNOJXMMHRD-UHFFFAOYSA-N,2,1,0.321,32,20,483.507,5.625,6,0.323,0.63,1.0,0.23292611884038106,0.4270697690357069,0.7292252073195805,0.737595092865465,0.5317040470152834
EOS-2-38713,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cn4)n23)s1,QFBCCILKRIXXOV-UHFFFAOYSA-N,2,1,0.341,32,20,483.507,5.625,6,0.323,0.66,1.0,0.16101535192927147,0.3564440408470975,0.5979199506545131,0.6826982386402577,0.44951939551778497
EOS-2-38714,CC(=O)Nc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)c(C)c4)n23)c1,LMPFOAPNLIGFCX-UHFFFAOYSA-N,2,1,0.525,35,201,483.507,4.276,5,0.344,0.75,1.0,0.4312846960455075,0.016988211911452264,0.5759200877253101,0.40273970255637037,0.3567331745596601
EOS-2-38715,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5F)n34)c(F)c2)s1,POLZIRRZEDODHT-UHFFFAOYSA-N,2,1,0.333,3,923,483.507,5.625,6,0.323,0.63,1.0,0.2329346857651977,0.38489479816325134,0.7772428209170036,0.809420190528408,0.5511231238434652
EOS-2-38716,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc7ccccn67)c5)n34)cc2)cc1,GAPKXKAQKCZTJV-UHFFFAOYSA-N,2,1,0.377,21,810,483.51,5.974,7,0.308,0.72,1.0,0.3406723322596121,0.4042389143992872,0.8332019738194778,0.8835326571174011,0.6154114693989445
EOS-2-38717,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4c(-c5ccccc5)nn5ccccc45)n23)nc1,CFRQUIRIJIYBOC-UHFFFAOYSA-N,2,1,0.314,93,737,483.51,5.974,7,0.308,0.68,1.0,0.1280326913851004,0.30233534370502363,0.732000890960181,0.8239668288671098,0.4965839387293537
EOS-2-38718,CSc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccccn6)o5)n34)cc2)n[nH]1,GPBVYNFGWPZSMO-UHFFFAOYSA-N,2,1,0.467,40,2,483.517,3.927,6,0.333,0.57,1.0,0.6083801658556645,0.4042474813241039,0.13990644918100198,0.10563874991433075,0.3145432115687753
EOS-2-38719,CCOc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc(C)no6)cn5)n34)nc2)cs1,YSXUXAXEEVHMLQ-UHFFFAOYSA-N,2,1,0.296,70,687,483.517,4.129,6,0.341,0.65,0.996,0.3284901651703105,0.2509594955794668,0.07880714138852718,0.047289424988006305,0.17638655678157766
EOS-2-38720,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cn5)n34)cc2O)cs1,RFGMLOJCAKWUKO-UHFFFAOYSA-N,2,1,0.458,40,932,483.517,3.484,6,0.378,0.58,0.813,0.1415769995202522,0.20519498320882737,0.26459803988760194,0.1865019532588582,0.19946799396888495
EOS-2-38721,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)s1,AKBYHGQQMIMLLL-UHFFFAOYSA-N,2,1,0.489,81,932,483.517,3.478,6,0.336,0.66,1.0,0.25216743197861696,0.21509834829689534,0.16451065725447195,0.1036854910561305,0.18386548214652867
EOS-2-38722,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6nccn6)nc5)n34)cn2)s1,QDMLZUFUMMNCOC-UHFFFAOYSA-N,2,1,0.484,6,502,483.521,2.61,6,0.333,0.58,1.0,0.3912000548283188,0.30234391062984034,0.030172709204304024,0.023473373997669796,0.18679751216503326
EOS-2-38723,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccnn6)s5)n34)cc2)n1C,XREGJYBRFCRZMN-UHFFFAOYSA-N,2,1,0.457,71,415,483.521,2.783,6,0.348,0.63,1.0,0.3185610993077925,0.2766431361798369,0.015146323075868686,0.012739017202385032,0.15577239394147077
EOS-2-38724,Cc1nnc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)s2)n1C,IXSOJABRHPRHCX-UHFFFAOYSA-N,2,1,0.436,71,614,483.521,2.783,6,0.348,0.63,1.0,0.28421629771777124,0.2663114248509355,0.011128435336851483,0.010965663765334796,0.14315545541772326
EOS-2-38725,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccn2)s1,QXOOIITWBORIEY-UHFFFAOYSA-N,2,1,0.602,75,241,416.47,3.03,5,0.416,0.68,0.995,0.5060225481461175,0.39945000342676995,0.05061339181687342,0.04864299910903982,0.25118223562470016
EOS-2-38726,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)n1,DSEDKUVRGJEHOP-UHFFFAOYSA-N,2,1,0.489,65,981,416.47,3.03,5,0.416,0.71,1.0,0.6113014872181481,0.5256922075251867,0.0978514152559797,0.08945582893564526,0.33107523473373995
EOS-2-38727,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)nn2)cn1,BGYBTWCGUDJLJZ-UHFFFAOYSA-N,2,1,0.554,54,796,416.47,3.03,5,0.416,0.73,0.998,0.4885631553697485,0.3804828318826674,0.0702316496470427,0.06423480227537523,0.25087810979370845
EOS-2-38728,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)ns1,WCGPRRZBXYSXAV-UHFFFAOYSA-N,2,1,0.558,65,131,416.47,3.03,5,0.416,0.68,1.0,0.4523593310945103,0.34166609553834554,0.10278596395038037,0.0952727708861627,0.24802104036734973
EOS-2-38729,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cn2)cn1,TZTPCOPNMNINJT-UHFFFAOYSA-N,2,1,0.482,7,464,416.47,3.296,5,0.43,0.74,1.0,0.3500702487834967,0.3659875950928655,0.08600335823452813,0.053740319374957164,0.21395038037146186
EOS-2-38730,N=c1[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cs1,RDCQUGJPQGLVLB-UHFFFAOYSA-N,2,1,0.506,35,234,416.47,2.739,5,0.439,0.63,0.997,0.5343362346652045,0.4492581043108766,0.22885682955246384,0.17293194434925638,0.3463457782194503
EOS-2-38731,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccn2)cn1,HKZKUOMDFIJUAX-UHFFFAOYSA-N,2,1,0.531,7,99,416.47,3.296,5,0.43,0.72,1.0,0.28134637790418754,0.27143444589130283,0.08838496333356179,0.056644506887807554,0.17445257350421492
EOS-2-38732,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)s1,VZRNCZYZIDWHKA-UHFFFAOYSA-N,2,1,0.562,15,361,416.47,3.03,5,0.416,0.67,1.0,0.6251627715715167,0.46688026865876225,0.10279453087519703,0.09528133781097937,0.3225297272291138
EOS-2-38733,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)c(C)n1,SFYGKHGXWMIJGC-UHFFFAOYSA-N,2,1,0.506,75,441,416.47,3.296,5,0.43,0.59,1.0,0.35210060996504694,0.24085909122061544,0.12493146460146666,0.08225104516482763,0.20003555273798918
EOS-2-38734,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ncn2)cn1,CTTFXGCTTZGNSE-UHFFFAOYSA-N,2,1,0.438,44,238,416.47,3.296,5,0.43,0.72,1.0,0.2653861969707354,0.21012953190322803,0.1002244534301967,0.06582825029127544,0.1603921081488589
EOS-2-38735,Cc1ccncc1CCOc1cncc2nnc(-c3cc(-c4cscn4)ncn3)n12,YZOAOUROIGHOGC-UHFFFAOYSA-N,2,1,0.455,18,481,416.47,3.03,5,0.416,0.64,1.0,0.39768521691453634,0.21510691522171202,0.14879035021588652,0.1241775752175999,0.2214400143924337
EOS-2-38736,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)s1,HJERKSWRKCDXHL-UHFFFAOYSA-N,2,1,0.558,87,838,416.47,3.03,5,0.416,0.69,1.0,0.4685165512987458,0.3366544445205949,0.0679956822698924,0.06259851963539168,0.23394129943115619
EOS-2-38737,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5cnccn5)n34)c2)c(C)s1,YBNNMRMDTXGIGZ-UHFFFAOYSA-N,2,1,0.442,7,535,416.47,3.296,5,0.43,0.64,1.0,0.2732077993283531,0.22544719347543005,0.10023302035501336,0.06760160372832567,0.16662240422178054
EOS-2-38738,Cc1ncnc(-c2cncc(-c3nnc4cncc(OCCc5cccs5)n34)c2)n1,SRPICLYEUIMGTC-UHFFFAOYSA-N,2,1,0.558,87,349,416.47,3.03,5,0.416,0.68,1.0,0.7397282571448153,0.47566136659584674,0.1028030978000137,0.0822596120896443,0.35011308340758
EOS-2-38739,N=c1[nH]c(-c2cccc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)cs1,QTJJGRXRQDHPSU-UHFFFAOYSA-N,2,1,0.53,15,361,416.47,2.739,5,0.439,0.64,1.0,0.6251713384963333,0.43635631553697485,0.27193132753066956,0.22683503529573024,0.39007350421492704
EOS-2-38740,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4csnc4-c4ccccc4)n23)ccc1F,AEQAZNYREMBJIA-UHFFFAOYSA-N,2,1,0.478,77,177,483.532,5.033,6,0.33,0.59,0.999,0.62517990542115,0.6061356315536974,0.637019395517785,0.6243746144883833,0.6231773867452539
EOS-2-38741,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccc(F)cc6)cs5)n34)cc2)c1,GDLUUBRALFTQGS-UHFFFAOYSA-N,2,1,0.517,77,937,483.532,5.033,6,0.33,0.68,1.0,0.6083887327804811,0.7170944417791789,0.6013124528819135,0.5790812829826606,0.6264692276060586
EOS-2-38742,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6ccc(F)cc6)n5)n34)cc2)n1,JDCXNQOEUYEQRM-UHFFFAOYSA-N,2,1,0.511,77,937,483.532,5.033,6,0.33,0.77,1.0,0.5086011925159345,0.6543331505722706,0.5915547255157289,0.5566873415118909,0.5777941025289562
EOS-2-38743,Cn1ccc(-c2cccc(-c3nnc4cncc(OCc5nc(-c6ccsc6)ccc5F)n34)c2)n1,USXJKICBFYKOTN-UHFFFAOYSA-N,2,1,0.448,40,667,483.532,5.033,6,0.33,0.65,1.0,0.4835001028030978,0.5581608525803577,0.604473648139264,0.5597457336714413,0.5514700842985402
EOS-2-38744,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6ccccc6)n5)n34)cc2F)cn1,IONAFGVKPHBWIU-UHFFFAOYSA-N,2,1,0.517,12,177,483.532,5.033,6,0.33,0.76,1.0,0.4860701802480981,0.5717736961140429,0.6044822150640806,0.5727160578438764,0.5587605373175246
EOS-2-38745,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cn5)n34)ccc2F)s1,HRBTVROJHQCFIL-UHFFFAOYSA-N,2,1,0.522,40,932,483.532,5.127,6,0.327,0.65,1.0,0.48857172229456514,0.5488828730039065,0.6631142485093551,0.6031200740182304,0.5759222294565143
EOS-2-38746,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnsc5)n4)n23)cc1,USMFOGLKUXZJPJ-UHFFFAOYSA-N,2,1,0.517,1,436,416.466,3.381,5,0.453,0.6,1.0,0.4761839490096635,0.44926667123569325,0.52563223905147,0.4503461037625934,0.475357240764855
EOS-2-38747,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5cccs5)n34)c2)cc1=O,VBXHGKCMFKHACT-UHFFFAOYSA-N,2,1,0.605,4,470,416.466,3.193,5,0.437,0.74,1.0,0.31602528956205883,0.20520355013364402,0.3644883832499486,0.3326879583304777,0.3046012953190323
EOS-2-38748,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)cn4)n23)cc1,CHKGUJHQYIHFEO-UHFFFAOYSA-N,2,1,0.556,51,943,416.466,3.381,5,0.453,0.72,1.0,0.6882153382221917,0.5257007744500034,0.4976183949009664,0.4315074360907409,0.5357604859159756
EOS-2-38749,COc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1ccsc1,VGVLRVFKDQDZDO-UHFFFAOYSA-N,2,1,0.517,72,83,416.466,3.897,5,0.415,0.7,1.0,0.39986121581796996,0.35153519292714686,0.4806301829895141,0.3779555890617504,0.40249554519909536
EOS-2-38750,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ccn2)cn1,KDHYABNNYHNUHI-UHFFFAOYSA-N,2,1,0.536,75,939,416.466,3.381,5,0.453,0.73,1.0,0.42209238571722296,0.38981221300801866,0.5155318346926188,0.42507367555342335,0.4381275272428209
EOS-2-38751,OCc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccsc5)n4)n23)cc1,XIGVWKPCRPXFDL-UHFFFAOYSA-N,2,1,0.523,89,335,416.466,3.381,5,0.453,0.8,1.0,0.7030960866287438,0.5347217462819547,0.4345315605510246,0.3779641559865671,0.5125783873620725
EOS-2-38752,COc1cc(-c2nnc3cncc(OCc4ccsc4)n23)ccc1-c1cnccn1,LOXIVDBHXXLQFX-UHFFFAOYSA-N,2,1,0.5,16,248,416.466,3.897,5,0.415,0.73,1.0,0.5767510794325269,0.384903365088068,0.5290847097525873,0.38725070248783494,0.4694974641902543
EOS-2-38753,COc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccsc4)n23)cn1,DTMBYLKSVHYWJR-UHFFFAOYSA-N,2,1,0.442,55,879,416.466,3.897,5,0.415,0.78,1.0,0.48104139538071417,0.3707422383661161,0.40165170310465353,0.28317113289013773,0.3841516174354054
EOS-2-38754,c1ccc(Oc2ccc(-c3nnc4cncc(OCCc5nccs5)n34)cn2)cc1,MMMCTTPLUQHNIG-UHFFFAOYSA-N,2,1,0.622,11,881,416.466,4.057,5,0.395,0.75,1.0,0.47092385717222945,0.45376430676444385,0.22886539647728052,0.21813103968199576,0.3429211500239874
EOS-2-38755,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4)n23)cc1,ZMPSEGKOTLCFTM-UHFFFAOYSA-N,2,1,0.645,43,909,416.466,3.381,5,0.453,0.83,1.0,0.5883935302583785,0.41366253169762185,0.6370279624426016,0.569554862586526,0.552159721746282
EOS-2-38756,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccsc5)n34)c2)cn1,IMRXZJLWMFRFPB-UHFFFAOYSA-N,2,1,0.449,18,160,416.466,3.381,5,0.453,0.81,1.0,0.3912086217531355,0.3074155301213077,0.5011908025495169,0.42508224247824,0.40622429922555003
EOS-2-38757,COc1cc(-c2nnc3cncc(OCc4cncs4)n23)ccc1-c1ccncc1,IEWFKQGSNHOQRN-UHFFFAOYSA-N,2,1,0.519,97,103,416.466,3.897,5,0.415,0.69,1.0,0.46852511822356246,0.3317027619765609,0.5256408059762867,0.40575526009183743,0.4329059865670619
EOS-2-38758,c1ccn2cc(-c3ccc(-c4nnc5cncc(OCc6ccc(-n7cccc7)cc6)n45)cc3)nc2c1,FNYGMZWRJXHLBS-UHFFFAOYSA-N,2,1,0.494,77,603,483.535,5.476,7,0.313,0.68,1.0,0.6453378795147694,0.43179871153450755,0.7632530326913851,0.7428209170036324,0.6458026351860736
EOS-2-38759,Cc1nc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)cn2)n(C)n1,OIEGRUGFNMPUMD-UHFFFAOYSA-N,2,1,0.308,98,532,483.536,4.528,6,0.363,0.63,1.0,0.23019326982386404,0.2974179288602563,0.21796826811047906,0.2236738400383798,0.2423133267082448
EOS-2-38760,CCNCCn1nc(C)nc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cn3)n12,ZERYWMGMXQZBSH-UHFFFAOYSA-N,2,1,0.22,50,974,416.453,1.148,5,0.374,0.67,0.996,0.04158385306010554,0.003658076896717154,0.0015163456925502022,0.00045404701528339387,0.011803080666164072
EOS-2-38761,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cn(C)cn5)n34)n(C)n2)cn1,HHAZNBDYPJOEKS-UHFFFAOYSA-N,2,1,0.392,31,828,416.449,1.645,5,0.41,0.58,1.0,0.19160784044959223,0.042551915564389,0.024689877321636626,0.012293537111918306,0.06778579261188404
EOS-2-38762,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccn(C)n4)n23)nc1,DSVDGDNKNAVKIB-UHFFFAOYSA-N,2,1,0.429,31,105,416.449,1.82,5,0.395,0.65,1.0,0.22759749160441367,0.10918545678843122,0.013809882804468508,0.008309917072167775,0.08972568706737029
EOS-2-38763,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnnc4)n23)nn1C,WLQVSFLZXRJYFV-UHFFFAOYSA-N,2,1,0.387,31,569,416.449,1.82,5,0.395,0.58,1.0,0.11719553149201563,0.007059146048934275,0.03928791720923857,0.028030978000137072,0.04789339318758139
EOS-2-38764,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCCc4cnnn4C)n23)c1,VUDSNITZGNLHFM-UHFFFAOYSA-N,2,1,0.426,92,349,416.449,1.645,5,0.41,0.61,1.0,0.21636625316976218,0.1253683777671167,0.03929648413405524,0.02428723185525324,0.10132958673154684
EOS-2-38765,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccn(C)n5)n34)cn2)n(C)n1,KCLGKHDGTDUJBM-UHFFFAOYSA-N,2,1,0.442,31,986,416.449,1.645,5,0.41,0.69,1.0,0.28689774518538824,0.21511548214652867,0.013261599616201767,0.006056815845384141,0.1303329106983757
EOS-2-38766,CCn1ncnc1-c1cncc(-c2nnc3cncc(OCCc4ccn(C)n4)n23)c1,TWEIKTISBBDBCS-UHFFFAOYSA-N,2,1,0.417,92,349,416.449,1.82,5,0.395,0.73,1.0,0.17163833870193956,0.08671441299431157,0.018170447536152424,0.011899458570351587,0.07210566445068879
EOS-2-38767,CCn1cc(COc2cncc3nnc(-c4ccnc(-c5cncn5CC)c4)n23)nn1,MOEBHWCUTGMPQH-UHFFFAOYSA-N,2,1,0.471,92,624,416.449,2.26,5,0.397,0.65,1.0,0.04579021314508944,0.09288259886231238,0.026814474676170243,0.01595161400863546,0.04535972517305188
EOS-2-38768,CCn1nncc1-c1cncc(-c2nnc3cncc(OCCc4cn(C)cn4)n23)c1,VEWPKBZJMBBDRO-UHFFFAOYSA-N,2,1,0.392,92,349,416.449,1.82,5,0.395,0.57,1.0,0.18036803509012406,0.07982660544171065,0.032562881228154344,0.024295798780069905,0.07926333013501474
EOS-2-38769,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cc2)cc1,YYNGRMCBAMQDEP-UHFFFAOYSA-N,2,1,0.373,93,689,416.448,4.101,6,0.43,0.76,1.0,0.02474127887053663,0.10242615310808033,0.31619662805839216,0.45669419505174425,0.22501456377218834
EOS-2-38770,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6c[nH]nn6)c5)n34)cc2)cc1,NALRDVFHSCUVHD-UHFFFAOYSA-N,2,1,0.342,93,651,416.448,4.305,6,0.46,0.73,1.0,0.1065297100952642,0.1253769446919334,0.6074463710506477,0.6589164553491879,0.37456737029675824
EOS-2-38771,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cn5)n34)cc2)nc1,QGBPIGZJCDDHJL-UHFFFAOYSA-N,2,1,0.303,38,479,416.448,4.305,6,0.46,0.68,1.0,0.11969707353848262,0.14661435131245287,0.5691522171201425,0.5757059146048934,0.35279238914399286
EOS-2-38772,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccn6)c5)n34)cc2)cc1,BTNSPLVUKJXNCQ-UHFFFAOYSA-N,2,1,0.357,93,774,416.448,4.101,6,0.43,0.81,1.0,0.014152559797135221,0.057544033993557675,0.4527876773353437,0.5065793982592008,0.2577659173463094
EOS-2-38773,c1ccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,MPEMJIQBADHAIB-UHFFFAOYSA-N,2,1,0.34,30,298,416.448,4.101,6,0.43,0.69,1.0,0.004437667055033925,0.01411829209786855,0.33471831951202796,0.437615653485025,0.19772248303748885
EOS-2-38774,c1ccc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5c[nH]nn5)c4)n23)cc1,WVAJMCROBJSPQJ-UHFFFAOYSA-N,2,1,0.307,30,220,416.448,4.305,6,0.46,0.69,1.0,0.03854259475018847,0.0798351723665273,0.5118908916455349,0.5822339113151943,0.30312564251936125
EOS-2-38775,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cn5)n34)cc2)cc1,ZFQOXSBZSWLBMA-UHFFFAOYSA-N,2,1,0.357,93,651,416.448,4.305,6,0.46,0.76,1.0,0.11970564046329929,0.15055513672812007,0.6103933931875813,0.6562264409567542,0.38422015283393873
EOS-2-38776,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cc1,KJZRTPPVKRPACZ-UHFFFAOYSA-N,2,1,0.352,93,834,416.448,4.305,6,0.46,0.7,1.0,0.1172040984168323,0.13203344527448427,0.562332944966075,0.582242478240011,0.34845324172435066
EOS-2-38777,c1ccc(-c2ccc(-c3nnc4cncc(-c5n[nH]c(-c6ccccc6)n5)n34)nc2)cc1,XISWATHQFSYBHE-UHFFFAOYSA-N,2,1,0.276,30,737,416.448,4.305,6,0.46,0.76,0.993,0.06593962031389212,0.14294770749091906,0.3455126447810294,0.4599153587828113,0.253578832842163
EOS-2-38778,c1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cc2)cc1,NTTISCKPPCTIIM-UHFFFAOYSA-N,2,1,0.347,93,991,416.448,4.101,6,0.43,0.79,1.0,0.0077873346583510385,0.03589541498183812,0.5083955863203344,0.5852580357754781,0.2843340929340004
EOS-2-38779,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc6ccccc6c5)n34)cn2)cn1,REFCQHHTHPMMGS-UHFFFAOYSA-N,2,1,0.286,42,321,416.448,4.167,6,0.427,0.82,1.0,0.13359262559111781,0.1959769721060928,0.47693783839353027,0.4845795353299979,0.32277174285518473
EOS-2-38780,c1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)cc2)cc1,FUOIAOTUXHORTA-UHFFFAOYSA-N,2,1,0.357,93,991,416.448,4.101,6,0.43,0.79,1.0,0.005671304228634089,0.0327856212733877,0.5256493729011035,0.5945103145774793,0.28965415324515115
EOS-2-38781,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccnc6)c5)n34)nc2)cc1,YIOFBQRGXORYDD-UHFFFAOYSA-N,2,1,0.289,30,195,416.448,4.101,6,0.43,0.73,1.0,0.0014135425947501884,0.01087142759235145,0.5155404016174354,0.559754300596258,0.2718949181001987
EOS-2-38782,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)cn2)cc1,AXODFDCWVOXIQR-UHFFFAOYSA-N,2,1,0.347,69,220,416.448,4.305,6,0.46,0.7,1.0,0.10413097114659722,0.10919402371324789,0.6132461791515318,0.6419625111370023,0.3671334212870948
EOS-2-38783,c1ccc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cc1,AOVHKQZHHIQFST-UHFFFAOYSA-N,2,1,0.352,30,195,416.448,4.101,6,0.43,0.8,1.0,0.005294359536700706,0.024912617366869987,0.41205194983208826,0.4630337194160784,0.22632316153793436
EOS-2-38784,c1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cc1,ICSXMZSDFLVLQC-UHFFFAOYSA-N,2,1,0.357,93,594,416.448,4.305,6,0.46,0.72,1.0,0.13102254814611747,0.15459872524158727,0.5390994448632719,0.57571448152971,0.35010879994517163
EOS-2-38785,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)cc1,COYKAPCKYARNQT-UHFFFAOYSA-N,2,1,0.357,93,651,416.448,4.305,6,0.46,0.76,1.0,0.1970992392570763,0.19133369885545884,0.5424833801658556,0.5914433554931122,0.3805899184428757
EOS-2-38786,c1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cc1,UBQYMHARDUSPEI-UHFFFAOYSA-N,2,1,0.371,9,553,416.448,4.305,6,0.46,0.75,1.0,0.16371393324652184,0.1394010006168186,0.5391080117880885,0.5566959084367076,0.34972971352203414
EOS-2-38787,c1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)cc1,SHMAUWUIJCCAIT-UHFFFAOYSA-N,2,1,0.33,30,298,416.448,4.101,6,0.43,0.78,1.0,0.010357412103351381,0.024921184291686656,0.4052926461517374,0.4903793434308821,0.23273764649441436
EOS-2-38788,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cc1,IEIKZABEGLMUHR-UHFFFAOYSA-N,2,1,0.309,30,195,416.448,4.101,6,0.43,0.73,0.975,0.009646357343567953,0.03590398190665479,0.522102666027003,0.5467582756493728,0.2786028202316496
EOS-2-38789,c1ccc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5cc[nH]n5)n4)n23)cc1,FOCNWYBLYCDZCV-UHFFFAOYSA-N,2,1,0.299,30,371,416.448,4.305,6,0.46,0.67,0.944,0.07592008772531013,0.11830066479336578,0.37977177712288396,0.4408282502912754,0.2537051949832088
EOS-2-38790,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)nc5)n34)cc2)cc1,KBKPGEWJHCXYGT-UHFFFAOYSA-N,2,1,0.352,93,651,416.448,4.305,6,0.46,0.67,1.0,0.09182886710986224,0.15056370365293675,0.6044907819888973,0.6533822219176204,0.3750663936673292
EOS-2-38791,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cc5)n34)cc2)cn1,IRMSNOFYEQASGO-UHFFFAOYSA-N,2,1,0.289,9,645,416.448,4.305,6,0.46,0.81,1.0,0.10653827702008087,0.09615516414227948,0.6847200328969913,0.6795798780069906,0.3917483380165856
EOS-2-38792,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)cc1,DZSMLBUSMFSUFQ-UHFFFAOYSA-N,2,1,0.352,30,668,416.448,4.101,6,0.43,0.75,1.0,0.015017819203618669,0.03279418819820437,0.5591460489342746,0.572724624768693,0.2949206702761976
EOS-2-38793,c1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccncc6)c5)n34)cc2)ccn1,DGVYFZWXTNAMGZ-UHFFFAOYSA-N,2,1,0.329,42,150,416.448,4.101,6,0.43,0.78,1.0,0.013535741210335139,0.05755260091837434,0.6491244602837366,0.6476852169145364,0.34197450483174563
EOS-2-38794,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cc1,DZPPFYRLWBLFQM-UHFFFAOYSA-N,2,1,0.333,30,668,416.448,4.101,6,0.43,0.74,1.0,0.01853025837845247,0.03280275512302104,0.4908505242957988,0.49972585840586664,0.26047734905078473
EOS-2-38795,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cn5)n34)nc2)cc1,NDSXWEASDKVXMK-UHFFFAOYSA-N,2,1,0.28,30,301,416.448,4.305,6,0.46,0.78,0.929,0.045798780069906106,0.07287026249057638,0.487697895963265,0.5302155438283873,0.2841456205880337
EOS-2-38796,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)cc1,SDPIIDZKSYCGAB-UHFFFAOYSA-N,2,1,0.333,30,991,416.448,4.101,6,0.43,0.79,1.0,0.007795901583167706,0.01857309300253581,0.4454715235419094,0.5065879651840175,0.2446071208279076
EOS-2-38797,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)c5)n34)cc2)cc1,ZNMKFQKBFGYJRO-UHFFFAOYSA-N,2,1,0.388,93,774,416.448,4.101,6,0.43,0.8,1.0,0.011042766088684805,0.053706051675690494,0.5459015831677061,0.5914519224179289,0.3005255808375026
EOS-2-38798,c1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)c1,KQVSJKWSRRJARM-UHFFFAOYSA-N,2,1,0.301,9,894,416.448,4.305,6,0.46,0.73,1.0,0.15290247412788704,0.15460729216640395,0.6432389829346857,0.6533907888424371,0.40103488451785346
EOS-2-38799,c1cncc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5cc[nH]n5)c4)n23)c1,PEEUHINTXBHYFT-UHFFFAOYSA-N,2,1,0.267,69,299,416.448,4.305,6,0.46,0.72,1.0,0.0802378178329107,0.102434720032897,0.5290932766774039,0.5695634295113426,0.32033231101363857
EOS-2-38800,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cnco5)n34)ccn2)c(C)n1,WRBGIHBLTGJINQ-UHFFFAOYSA-N,2,1,0.524,65,329,416.445,2.988,5,0.398,0.69,1.0,0.2329432526900144,0.08341614693989445,0.07663114248509355,0.047297991912822974,0.11007213350695634
EOS-2-38801,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)c2)no1,DHOIPDYIPTYXNZ-UHFFFAOYSA-N,2,1,0.571,15,460,416.445,2.813,5,0.416,0.77,1.0,0.26784490439311903,0.2007658830786101,0.058040915632924406,0.035090124049071345,0.14043545678843122
EOS-2-38802,COc1cc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)ccc1-c1cn[nH]c1,CJNPNEMNIOVODT-UHFFFAOYSA-N,2,1,0.506,15,847,416.445,2.545,5,0.434,0.7,1.0,0.397693783839353,0.29742649578507296,0.3533342471386471,0.22092385717222945,0.31734459598382564
EOS-2-38803,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)cc2)c1,UFYIDJDEZRBTKJ-UHFFFAOYSA-N,2,1,0.318,69,174,416.444,5.175,6,0.394,0.83,1.0,0.11450551709958193,0.09911932012884656,0.7320094578849976,0.742829483928449,0.42211594476046876
EOS-2-38804,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cc5)n34)cc2)ccn1,KKIRRAZDVJVVHO-UHFFFAOYSA-N,2,1,0.358,69,958,416.444,5.175,6,0.394,0.79,1.0,0.17449112466588992,0.1505722705777534,0.8011788088547734,0.7987201014323898,0.4812405763827017
EOS-2-38805,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)nc1,PEHPLFSNVWCSCZ-UHFFFAOYSA-N,2,1,0.293,69,299,416.444,5.175,6,0.394,0.74,1.0,0.1388441505037352,0.10571585223768076,0.6370365293674183,0.6766414227948736,0.38955948872592694
EOS-2-38806,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)cc1,KLIZPGPJTAIEIQ-UHFFFAOYSA-N,2,1,0.338,69,958,416.444,5.175,6,0.394,0.84,1.0,0.15291104105270373,0.11223528202316496,0.7292337742443973,0.7428380508532657,0.4343045370433829
EOS-2-38807,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)nc1,KBHQUTIIQVFVMS-UHFFFAOYSA-N,2,1,0.348,32,479,416.444,5.175,6,0.394,0.78,1.0,0.10413953807141388,0.09289116578712905,0.6901600301555754,0.6967137276403262,0.3959761154136111
EOS-2-38808,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cc2)cc1,NLWCWPFGPNZHCP-UHFFFAOYSA-N,2,1,0.403,21,810,416.444,5.175,6,0.394,0.87,1.0,0.20540915632924406,0.22007573161537936,0.5459101500925228,0.6390497566993352,0.4026111986841203
EOS-2-38809,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccno6)cc5)n34)cn2)cc1,KBRXTMXWGOLAFB-UHFFFAOYSA-N,2,1,0.338,69,958,416.444,5.175,6,0.394,0.82,1.0,0.09419333835926257,0.09616373106709615,0.7217377150298129,0.7428466177780824,0.4137353505585635
EOS-2-38810,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cc2)cc1,PNCZAICTUBJBST-UHFFFAOYSA-N,2,1,0.391,93,987,416.444,5.175,6,0.394,0.88,1.0,0.21362483722842848,0.14662291823726956,0.739454115550682,0.7530069906106504,0.4631772154067576
EOS-2-38811,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cn5)n34)nc2)cc1,NACOJKFRFFNFST-UHFFFAOYSA-N,2,1,0.318,30,737,416.444,5.175,6,0.394,0.75,1.0,0.08931019121376191,0.057561167843191006,0.679468507984374,0.7214635734356796,0.3869508601192516
EOS-2-38812,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,NIDNXJBEPJPAQX-UHFFFAOYSA-N,2,1,0.333,69,958,416.444,5.175,6,0.394,0.76,1.0,0.13638544308135153,0.09617229799191282,0.6657100267288054,0.6967222945651429,0.39874751559180316
EOS-2-38813,c1ccc(-c2ccc(-c3nnc4cncc(-c5noc(-c6ccccc6)n5)n34)cc2)cc1,UGJMBIVYQUDTMH-UHFFFAOYSA-N,2,1,0.403,21,810,416.444,5.175,6,0.394,0.88,1.0,0.1470855321773696,0.19598553903090946,0.5221112329518196,0.6215389623740663,0.37168031663354123
EOS-2-38814,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)cc1,JUMNREHZHGPTBL-UHFFFAOYSA-N,2,1,0.333,32,371,416.444,5.175,6,0.394,0.72,1.0,0.13885271742855185,0.08672297991912822,0.619405798094716,0.6678003563840724,0.3781954629566171
EOS-2-38815,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)ccn1,KBKHXSPTSTWAAW-UHFFFAOYSA-N,2,1,0.375,69,958,416.444,5.175,6,0.394,0.76,1.0,0.17727537523130696,0.1466314851620862,0.8169248166678089,0.8116390240559249,0.48811767527928174
EOS-2-38816,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)cc2)cc1,AAYXJBGIRNBCPV-UHFFFAOYSA-N,2,1,0.391,93,651,416.444,5.175,6,0.394,0.85,1.0,0.16640394763895552,0.13940956754163525,0.7110204920841615,0.7401394695360154,0.4392433692001919
EOS-2-38817,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)nc1,DMEKSSMQXGIFFC-UHFFFAOYSA-N,2,1,0.338,69,958,416.444,5.175,6,0.394,0.81,1.0,0.1803766020149407,0.12873517922006716,0.7609827976149681,0.755517099581934,0.4564029196079775
EOS-2-38818,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)cc2)cc1,UFFKDVFLHYDTBG-UHFFFAOYSA-N,2,1,0.397,93,651,416.444,5.175,6,0.394,0.83,1.0,0.22183195120279625,0.1466400520869029,0.7394626824754986,0.7555256665067507,0.4658650880679871
EOS-2-38819,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cn5)n34)cn2)cc1,UZPRHKQQXBIHFN-UHFFFAOYSA-N,2,1,0.343,32,20,416.444,5.175,6,0.394,0.75,1.0,0.14158556644506887,0.09618086491672949,0.684728599821808,0.7160578438763622,0.4096382187649922
EOS-2-38820,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccno6)cn5)n34)cc2)cc1,AMXHENMGCRBYRL-UHFFFAOYSA-N,2,1,0.397,93,651,416.444,5.175,6,0.394,0.85,1.0,0.15828250291275445,0.11515660338564869,0.7320180248098143,0.7555342334315674,0.4402478411349462
EOS-2-38821,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccon5)cc4)n23)cc1,IJWCCYWGAXOOFX-UHFFFAOYSA-N,2,1,0.348,69,695,416.444,5.175,6,0.394,0.74,1.0,0.09888801315879651,0.09289973271194572,0.640266260023302,0.6827068055650743,0.3786902028647796
EOS-2-38822,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)cc1,QPVSAKJIYGCGPH-UHFFFAOYSA-N,2,1,0.403,21,538,416.444,5.175,6,0.394,0.78,1.0,0.2678534713179357,0.220084298540196,0.7447313412377493,0.7684617229799191,0.5002827085189501
EOS-2-38823,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)nc5)n34)cc2)c1,VXRMJRZWMDFPEW-UHFFFAOYSA-N,2,1,0.328,69,57,416.444,5.175,6,0.394,0.86,1.0,0.09889658008361318,0.11224384894798163,0.744739908162566,0.7453395928997327,0.4253049825234734
EOS-2-38824,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)cc1,JNZHSVUAQRRXSJ-UHFFFAOYSA-N,2,1,0.403,21,538,416.444,5.175,6,0.394,0.78,1.0,0.2678620382427524,0.22009286546501267,0.7447484750873826,0.7684702899047358,0.5002934171749709
EOS-2-38825,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cc5)n34)cc2)nc1,UZVDOXWOECTIMT-UHFFFAOYSA-N,2,1,0.383,69,695,416.444,5.175,6,0.394,0.82,1.0,0.10894558289356453,0.11830923171818244,0.7394712494003153,0.742855184702899,0.4273953121787403
EOS-2-38826,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)cn2)c1,TYSWPVQOBJSIIX-UHFFFAOYSA-N,2,1,0.322,69,174,416.444,5.175,6,0.394,0.81,1.0,0.1145140840243986,0.11516517031046536,0.7609913645397848,0.7731649647042698,0.44095889589472964
EOS-2-38827,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)nc2)ccn1,WWDBCPLJGQUKOF-UHFFFAOYSA-N,2,1,0.3,41,174,416.444,5.175,6,0.394,0.82,1.0,0.06803851689397573,0.057569734768007676,0.7701665410184361,0.7872318552532382,0.4207516619834144
EOS-2-38828,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)c5)n34)cc2)cc1,SMVLLFRZWXUPKA-UHFFFAOYSA-N,2,1,0.385,21,810,416.444,5.175,6,0.394,0.82,1.0,0.2494688506613666,0.20077445000342678,0.7292423411692139,0.7633644027140017,0.4857125111370023
EOS-2-38829,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnoc6)cc5)n34)cn2)cc1,ZAFUDPQPISIHPL-UHFFFAOYSA-N,2,1,0.338,69,958,416.444,5.175,6,0.394,0.85,1.0,0.11971420738811596,0.10572441916249743,0.7519275580837502,0.7755637036529367,0.4382324720718251
EOS-2-38830,c1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)no5)n34)cc2)cc1,DTMZEWSPYGDMMD-UHFFFAOYSA-N,2,1,0.433,21,810,416.444,5.175,6,0.394,0.9,1.0,0.20264203961346036,0.2052121170584607,0.5256579398259201,0.6243831814131999,0.3894738194777603
EOS-2-38831,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)cc2)cc1,OJEBFWTZHDRKSB-UHFFFAOYSA-N,2,1,0.391,93,651,416.444,5.175,6,0.394,0.75,1.0,0.20833047769172777,0.16601843602220548,0.7161692138989788,0.740148036460832,0.45766654101843607
EOS-2-38832,OCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccoc5)n34)cc2)cn1,PTLABCZKWJUIRS-UHFFFAOYSA-N,2,1,0.55,15,519,416.441,2.862,5,0.415,0.75,1.0,0.4221009526420396,0.26631999177575216,0.38355835789185116,0.3169248166678089,0.34722602974436295
EOS-2-38833,COc1cc(-c2nnc3cncc(OCCc4ccoc4)n23)ccc1-c1cnn(C)c1,BDNDRXHOCRXYQX-UHFFFAOYSA-N,2,1,0.542,15,604,416.441,3.415,5,0.401,0.72,1.0,0.39562915495853607,0.17876602014940718,0.5155489685422521,0.3360119251593448,0.356489017202385
EOS-2-38834,COc1cc(-c2nnc3cncc(OCCc4ccco4)n23)ccc1-c1cncn1C,BIWOCBPJADXTIZ-UHFFFAOYSA-N,2,1,0.619,15,771,416.441,3.415,5,0.401,0.79,1.0,0.5599684737166747,0.20522068398327736,0.44548009046672604,0.28009560688095403,0.37269121376190806
EOS-2-38835,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cn(Cc6ccsc6)nn5)n34)cc2)cn1,QYBPCJVOAALXRU-UHFFFAOYSA-N,2,1,0.456,56,519,483.561,3.515,6,0.326,0.62,1.0,0.23856315536974848,0.22545576040024673,0.1645192241792886,0.15405044205332055,0.19564714550065107
EOS-2-38836,N#Cc1ccc(-c2nnc3cncc(C4CCC(F)(c5ccc(F)c(N)c5)C4)n23)cc1,ZQPCXORJKXZETJ-UHFFFAOYSA-N,2,1,0.467,0,646,416.435,4.517,5,0.496,0.43,0.999,0.3359776574600781,0.4985264889315331,0.9367760948529916,0.9558974710437941,0.6817944280720992
EOS-2-38837,Cn1nnnc1-c1cc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)cs1,SVDGJTAOPXTRSZ-UHFFFAOYSA-N,2,1,0.523,92,728,416.43,1.889,5,0.421,0.65,1.0,0.28962202727708863,0.17465389623740663,0.09074086765814543,0.09331094510314578,0.1620819340689466
EOS-2-38838,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nc2)cn1,XKBAGFYJLNADCY-UHFFFAOYSA-N,2,1,0.427,87,954,416.42,2.742,5,0.393,0.71,1.0,0.445017476526626,0.4042560482489206,0.36074463710506477,0.3076211363169077,0.37940982454937977
EOS-2-38839,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)cn1,NUAXVHVLDYGZNH-UHFFFAOYSA-N,2,1,0.522,65,468,416.42,2.742,5,0.393,0.77,1.0,0.5657854156671921,0.5874426016037283,0.46670893016242887,0.38725926941265165,0.5017990542115002
EOS-2-38840,Cc1nc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cnn(C)c1,ZNSWNZUWIBDBPT-UHFFFAOYSA-N,2,1,0.419,4,122,416.42,3.008,5,0.406,0.65,1.0,0.37290967034473305,0.35154375985196357,0.37597662942910015,0.2919008292783222,0.34808272222602976
EOS-2-38841,Cc1ncc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnn(C)c5)c4)n23)cn1,YXTAWZISHZKEAZ-UHFFFAOYSA-N,2,1,0.518,92,36,416.42,3.008,5,0.435,0.72,1.0,0.5212716743197862,0.4492752381605099,0.5658796518401754,0.45992392570762797,0.4990876225070249
EOS-2-38842,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)n1,HWIPEDZKXIUNJV-UHFFFAOYSA-N,2,1,0.479,58,954,416.42,2.742,5,0.393,0.6,1.0,0.5392793502844219,0.5626584881091083,0.2905900897813721,0.25011993694743334,0.4106619662805839
EOS-2-38843,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2)n1,RFDZFCIDXFWJNK-UHFFFAOYSA-N,2,1,0.59,15,320,416.42,2.742,5,0.42,0.66,1.0,0.7217034473305463,0.6734716606127065,0.31245288191350834,0.28598965115482144,0.4984044102528956
EOS-2-38844,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cn1,UXBPURXIXNALNK-UHFFFAOYSA-N,2,1,0.511,65,904,416.42,2.742,5,0.42,0.72,1.0,0.5884020971831951,0.562667055033925,0.47358817079021315,0.402748269481187,0.5068513981221301
EOS-2-38845,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cn1,KNCFWCYZBAVAFL-UHFFFAOYSA-N,2,1,0.495,87,349,416.42,2.742,5,0.42,0.8,1.0,0.4638304434240285,0.40878795147693786,0.45279624426016035,0.4057638270166541,0.43279461654444523
EOS-2-38846,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1,ONXBVLDXDGTRIZ-UHFFFAOYSA-N,2,1,0.582,15,187,416.42,2.742,5,0.42,0.73,1.0,0.8618669042560483,0.6637225001713385,0.3759851963539168,0.3582088273593311,0.5649458570351586
EOS-2-38847,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)n1,LPBRXHOOJZAUTN-UHFFFAOYSA-N,2,1,0.505,87,304,416.42,2.742,5,0.42,0.64,1.0,0.5713367829483929,0.5921801110273456,0.31992324035364267,0.28899664176547185,0.44310919402371324
EOS-2-38848,Cc1cccc(COc2cncc3nnc(-c4cn(C)nc4-c4ccc(F)cn4)n23)n1,VDDXZHYCINURFM-UHFFFAOYSA-N,2,1,0.483,4,464,416.42,3.008,5,0.435,0.68,1.0,0.3185696662326091,0.28703481598245495,0.2573932561167843,0.22684360222054692,0.27246033513809886
EOS-2-38849,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cc2)n1,QCIRDZFBAKNUBF-UHFFFAOYSA-N,2,1,0.565,15,320,416.42,2.742,5,0.393,0.68,1.0,0.7308529230347475,0.6543417174970872,0.2834195737098211,0.25012850387225,0.47968567952847646
EOS-2-38850,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)cn1,YRPSSVNLADOUPE-UHFFFAOYSA-N,2,1,0.419,46,711,416.42,3.183,5,0.392,0.7,1.0,0.2786135288876705,0.19134226578027552,0.43454012747584125,0.3518179014460969,0.3140784558974711
EOS-2-38851,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)c1,IJXJPVLYQHGDMW-UHFFFAOYSA-N,2,1,0.505,87,304,416.42,2.742,5,0.42,0.65,1.0,0.6638852717428552,0.707936399150161,0.3417860324857789,0.3044685079843739,0.5045190528407922
EOS-2-38852,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2)cn1,WVIQBRXKJUJJBU-UHFFFAOYSA-N,2,1,0.457,87,367,416.42,2.742,5,0.42,0.79,1.0,0.4810499623055308,0.41825440339935577,0.3945240216571859,0.3485624700157631,0.4105977143444589
EOS-2-38853,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cc2)n1,XDOQUUGZSOAGHJ-UHFFFAOYSA-N,2,1,0.61,15,320,416.42,2.742,5,0.42,0.73,1.0,0.7428380508532657,0.6832722226029745,0.30867486806935784,0.27399595641148655,0.5021952744842711
EOS-2-38854,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nc2F)n1,PMRRABOLLLEKNL-UHFFFAOYSA-N,2,1,0.516,58,237,416.42,2.742,5,0.393,0.59,1.0,0.5185216914536358,0.4403913371256254,0.25043691316565003,0.22093242409704614,0.3575705914604893
EOS-2-38855,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)c1,VUHZQETUCGETTF-UHFFFAOYSA-N,2,1,0.474,58,954,416.42,2.742,5,0.393,0.68,1.0,0.6513689945857035,0.6687170173394559,0.3086834349941745,0.26837605373175244,0.4742863751627716
EOS-2-38856,Cc1nc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1cnn(C)c1,IASSMGIZGBZFJJ-UHFFFAOYSA-N,2,1,0.467,92,690,416.42,3.008,5,0.435,0.68,0.999,0.34068089918442873,0.3611644164210815,0.4087194160784045,0.33269652525529436,0.3608153142348023
EOS-2-38857,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)nc1,HTGOZPKOQMHFSG-UHFFFAOYSA-N,2,1,0.439,65,773,416.42,2.742,5,0.42,0.7,1.0,0.6638938386676718,0.49367760948529915,0.41959084367075594,0.3713504900280995,0.4871281954629566
EOS-2-38858,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cn1,YSMWZZDDYZUOAQ-UHFFFAOYSA-N,2,1,0.447,55,823,416.42,3.183,5,0.419,0.7,1.0,0.6280840929340004,0.47566993352066345,0.42360016448495647,0.3618240696319649,0.47229456514289625
EOS-2-38859,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)c1,QHRWNDHQHYPMNQ-UHFFFAOYSA-N,2,1,0.527,65,981,416.42,2.742,5,0.42,0.65,1.0,0.7604602152011514,0.7216092111575629,0.39453258858200263,0.3453498732095127,0.5554879720375574
EOS-2-38860,Cn1nc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1ccc(F)cc1,HQRYYFASLVKUNW-UHFFFAOYSA-N,2,1,0.483,95,835,416.42,2.742,5,0.42,0.76,1.0,0.447441916249743,0.38049139880748406,0.20080015077787677,0.23868309231718182,0.3168541395380714
EOS-2-38861,Cc1cc(F)ccc1-c1nnc2cncc(OCc3nccc(-c4cnn(C)c4)n3)n12,IBNKQVKZCGGPOX-UHFFFAOYSA-N,2,1,0.472,92,446,416.42,3.008,5,0.435,0.73,1.0,0.43826673977109176,0.5075217599890344,0.37599376327873346,0.319914673428826,0.4104242341169214
EOS-2-38862,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1F,IJGCCVXXOBAFRF-UHFFFAOYSA-N,2,1,0.595,37,619,416.42,2.742,5,0.42,0.64,1.0,0.6396580083613186,0.5717822630388596,0.43066787745870744,0.4125573983962717,0.5136663868137893
EOS-2-38863,Cn1ccnc1CCOc1cncc2nnc(-c3cc(-c4cncc(F)c4)ccn3)n12,SVOBGABKAPNCGZ-UHFFFAOYSA-N,2,1,0.389,18,840,416.42,2.742,5,0.42,0.74,1.0,0.4810585292303475,0.3271708587485436,0.2719398944554863,0.27718285244328694,0.33933803371941607
EOS-2-38864,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cn2)cn1,KSUSHKZLLBRMIJ-UHFFFAOYSA-N,2,1,0.457,92,860,416.42,3.183,5,0.392,0.69,1.0,0.3359862243848948,0.39453258858200263,0.34552121170584604,0.28317969981495444,0.33980493112192445
EOS-2-38865,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,PKHYECVBDLGYHF-UHFFFAOYSA-N,2,1,0.523,65,184,416.42,2.742,5,0.42,0.68,1.0,0.6251884723459666,0.49853505585634983,0.40530121307655403,0.3582173942841478,0.4718105338907546
EOS-2-38866,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nc2F)n1,HXXJIUKOVAZPJO-UHFFFAOYSA-N,2,1,0.456,18,773,416.42,2.742,5,0.393,0.61,1.0,0.5599770406414913,0.4363648824617915,0.3199318072784593,0.27719141936810365,0.3983662874374615
EOS-2-38867,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,QRZXSUKGBCROHO-UHFFFAOYSA-N,2,1,0.707,91,402,416.42,2.742,5,0.42,0.79,1.0,0.8217051607155096,0.7620707970666849,0.3417945994105956,0.3810311150709341,0.5766504180659311
EOS-2-38868,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)c1,BBCJSEKRPQOCGS-UHFFFAOYSA-N,2,1,0.512,65,981,416.42,2.742,5,0.393,0.67,1.0,0.7185936536220958,0.7262267836337468,0.40166027002947025,0.332705092180111,0.544796449866356
EOS-2-38869,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1,UZOARGDBMVUXPD-UHFFFAOYSA-N,2,1,0.563,15,475,416.42,2.742,5,0.42,0.62,1.0,0.7031046535535604,0.6110102117743814,0.3760023302035501,0.36493386334041533,0.5137627647179768
EOS-2-38870,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cn1,WYOMEVJIPGMIBS-UHFFFAOYSA-N,2,1,0.469,58,954,416.42,2.742,5,0.393,0.72,1.0,0.6366167500514015,0.5717908299636763,0.3271108902748269,0.2831882667397711,0.454676684257419
EOS-2-38871,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1F,VCMLTYLRLYXINQ-UHFFFAOYSA-N,2,1,0.747,91,309,416.42,2.742,5,0.42,0.79,1.0,0.8684206017407992,0.8450157631416627,0.29059865670618873,0.34535844013432937,0.587348365430745
EOS-2-38872,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2F)cn1,RMXXRPCPGPUMNE-UHFFFAOYSA-N,2,1,0.536,20,658,416.42,2.742,5,0.42,0.76,1.0,0.6251970392707834,0.5824138167363443,0.44548865739154275,0.3996984442464533,0.5131994894112809
EOS-2-38873,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)n1,FDRVEWOOYOQMQZ-UHFFFAOYSA-N,2,1,0.505,58,981,416.42,2.742,5,0.393,0.64,1.0,0.6701219930093893,0.6110187786991982,0.34552977863066275,0.29190939620313894,0.4796449866355973
EOS-2-38874,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)ncn2)cn1,PNCGVPBKESSNQC-UHFFFAOYSA-N,2,1,0.462,44,488,416.42,3.183,5,0.419,0.74,1.0,0.3429597011856624,0.2609399629908848,0.39827633472688645,0.37135905695291616,0.34338376396408743
EOS-2-38875,Cn1nc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1-c1ncc(F)cn1,BGUSKOBKQGGFDE-UHFFFAOYSA-N,2,1,0.573,95,54,416.42,2.742,5,0.42,0.72,1.0,0.5266774038791036,0.27665170310465353,0.16452779110410526,0.1894061407717086,0.28931575971489276
EOS-2-38876,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)n1,GTQMNBDNHCWYBE-UHFFFAOYSA-N,2,1,0.512,58,981,416.42,2.742,5,0.393,0.61,1.0,0.6336183263655678,0.6013724213556302,0.3797803440477006,0.31388355835789183,0.4821636625316976
EOS-2-38877,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cc1,OYDAUBBCGLCHSY-UHFFFAOYSA-N,2,1,0.57,15,475,416.42,2.742,5,0.42,0.7,1.0,0.7217120142553629,0.6160389966417654,0.3721472140360496,0.3518264683709136,0.5154311733260228
EOS-2-38878,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1,LCOYSSPHESNLOI-UHFFFAOYSA-N,2,1,0.59,15,734,416.42,2.742,5,0.42,0.71,1.0,0.8412805839215955,0.7079449660749777,0.319940374203276,0.3169333835926256,0.5465248269481187
EOS-2-38879,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1-c1cncnc1,VJIIAFLKXNBHKE-UHFFFAOYSA-N,2,1,0.552,95,493,416.42,2.742,5,0.42,0.72,1.0,0.44502604345144264,0.28164622027277086,0.3835669248166678,0.3907460078130354,0.3752462990884792
EOS-2-38880,Cn1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)n1,BQCGZAZBCUJSOZ-UHFFFAOYSA-N,2,1,0.454,87,349,416.42,2.742,5,0.42,0.7,1.0,0.47619251593448014,0.42707833596052364,0.29797477897333974,0.2890052086902885,0.372562709889658
EOS-2-38881,CCn1cc(-c2cc(-c3nnc4cncc(COc5cccc(F)n5)n34)ccn2)cn1,MZRACDDMSTVGRA-UHFFFAOYSA-N,2,1,0.34,85,329,416.42,3.183,5,0.392,0.7,1.0,0.2896305942019053,0.27144301281611954,0.3347268864368446,0.2683846206565691,0.2910462785278597
EOS-2-38882,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccc2F)cn1,KAGVHCDTGSSLIF-UHFFFAOYSA-N,2,1,0.524,37,394,416.42,2.742,5,0.42,0.68,1.0,0.6940237132478926,0.6346206565691179,0.3681378932218491,0.34216297717771227,0.509736310054143
EOS-2-38883,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1,RMLUQQOLPXYDBG-UHFFFAOYSA-N,2,1,0.603,15,187,416.42,2.742,5,0.393,0.74,1.0,0.8862655061339182,0.7309471592077308,0.3797889109725173,0.345367007059146,0.5855921458433281
EOS-2-38884,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ccn2)n1,ZNQSKRQUSADPAI-UHFFFAOYSA-N,2,1,0.627,75,359,416.42,2.742,5,0.42,0.69,1.0,0.5971403604961962,0.4936861764101158,0.312461448838325,0.31389212528270855,0.4292950277568364
EOS-2-38885,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ccc(F)nc1,MVUQGTJWAPMGIF-UHFFFAOYSA-N,2,1,0.527,95,235,416.42,2.742,5,0.393,0.7,0.999,0.42916866561579053,0.34675484887944624,0.2611541361113015,0.2564594613117675,0.3233842779795764
EOS-2-38886,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)cn1,JXZYKKJTTUITRG-UHFFFAOYSA-N,2,1,0.427,18,367,416.42,2.742,5,0.393,0.69,1.0,0.3912171886779522,0.2870433829072716,0.3607532040298814,0.31074806387499143,0.33744045987252413
EOS-2-38887,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c1,UUUYUPBOWFDCON-UHFFFAOYSA-N,2,1,0.484,87,227,416.42,2.742,5,0.42,0.67,1.0,0.6113100541429648,0.4711808649167295,0.4236087314097731,0.3839610033582345,0.4725151634569255
EOS-2-38888,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1cccnc1,HPVOWFPGZKDPRF-UHFFFAOYSA-N,2,1,0.452,95,493,416.42,2.742,5,0.42,0.75,1.0,0.4268213282160236,0.34167466246316225,0.31994894112809263,0.32292166403947636,0.3528416489616887
EOS-2-38889,CCOc1cc(F)ccc1-c1nnc2cncc(-c3ccnc(-c4cn(C)nn4)c3)n12,UPTLHMDMQSDXOW-UHFFFAOYSA-N,2,1,0.378,50,985,416.42,3.187,5,0.434,0.69,1.0,0.19998629292029332,0.317772942224659,0.40872798300322116,0.37136762387773287,0.3244637105064766
EOS-2-38890,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cn4)n23)ccc1F,RNCBIVRQTDPEEV-UHFFFAOYSA-N,2,1,0.419,46,128,416.42,3.008,5,0.435,0.68,0.999,0.45911006785004455,0.40426461517373724,0.4087365499280378,0.3139006922075252,0.3965029812898362
EOS-2-38891,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)n1,BMZFHHFBIGXMCA-UHFFFAOYSA-N,2,1,0.575,15,438,416.42,2.742,5,0.393,0.68,1.0,0.6139829346857651,0.5531920361866904,0.3607617709546981,0.31390925913234186,0.4604615002398738
EOS-2-38892,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cc1,HXMMZZCFFIMTFC-UHFFFAOYSA-N,2,1,0.598,15,734,416.42,2.742,5,0.42,0.77,1.0,0.8707765060653828,0.712631073949695,0.3162051949832088,0.30447707490919057,0.5510224624768694
EOS-2-38893,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCc4cccc(F)c4)n23)c1,BSWRAMBAMJUFGR-UHFFFAOYSA-N,2,1,0.452,53,643,416.42,3.183,5,0.419,0.67,0.995,0.42682989514084024,0.3416832293879789,0.43837810979370845,0.42509080940305666,0.4079955109313961
EOS-2-38894,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1cncc(F)c1,AOQXMBDMTMDAEB-UHFFFAOYSA-N,2,1,0.511,95,235,416.42,2.742,5,0.42,0.73,0.997,0.452367898019327,0.30742409704612433,0.2540264546638339,0.26542903159481873,0.3198118703310259
EOS-2-38895,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cccnc1,UMWXXENNRUUAIM-UHFFFAOYSA-N,2,1,0.484,95,235,416.42,2.742,5,0.42,0.72,1.0,0.42917723254060725,0.33171132890137756,0.27194846138030293,0.28319683366458775,0.3290084641217189
EOS-2-38896,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cn1,IDJCRVKLEFGHFV-UHFFFAOYSA-N,2,1,0.5,87,304,416.42,2.742,5,0.42,0.72,1.0,0.6792029333150572,0.6013809882804468,0.3607703378795148,0.3229302309642931,0.491071122609828
EOS-2-38897,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)c4)n23)nn1,SLMMUNZKBVNQDS-UHFFFAOYSA-N,2,1,0.518,4,677,416.42,3.008,5,0.435,0.63,1.0,0.5111627030361181,0.4985436227811665,0.4489496950174765,0.3713761908025495,0.45750805290932767
EOS-2-38898,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ccn2)n1,LZFMKHIYMWHWJM-UHFFFAOYSA-N,2,1,0.511,58,819,416.42,2.742,5,0.393,0.65,1.0,0.4910047289424988,0.4537728736892605,0.2979833458981564,0.2591494757042012,0.37547760605852926
EOS-2-38899,Cn1cnnc1CCOc1cncc2nnc(-c3cc(-c4ccccc4F)ccn3)n12,KPSVMWKEDFAHPP-UHFFFAOYSA-N,2,1,0.472,19,503,416.42,2.742,5,0.42,0.76,1.0,0.40188301007470356,0.34169179631279556,0.1971763415804263,0.2801041738057707,0.30521383044342404
EOS-2-38900,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cn1,YGQAQHNPSCVMGU-UHFFFAOYSA-N,2,1,0.522,65,981,416.42,2.742,5,0.393,0.66,1.0,0.7308614899595641,0.6543502844219039,0.32711945719964364,0.2771999862929203,0.497382804468508
EOS-2-38901,Cc1cncnc1COc1cncc2nnc(-c3ccc(-c4cncn4C)c(F)c3)n12,WDVHHAVKQIRZNV-UHFFFAOYSA-N,2,1,0.467,26,911,416.42,3.008,5,0.435,0.63,1.0,0.582370982112261,0.5392879172092385,0.45954698101569463,0.3839695702830512,0.49129386265506136
EOS-2-38902,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCc4cccc(F)n4)n23)c1,QPXDCPZABSAOSW-UHFFFAOYSA-N,2,1,0.444,46,544,416.42,3.008,5,0.406,0.69,1.0,0.27862209581248715,0.23532485778904805,0.34960763484339663,0.2740045233363032,0.28438977794530873
EOS-2-38903,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)n1,VREDYTZHCZEQIL-UHFFFAOYSA-N,2,1,0.478,4,677,416.42,3.008,5,0.435,0.61,1.0,0.559985607566308,0.507530326913851,0.4419590843670756,0.34857103694057984,0.4645115139469536
EOS-2-38904,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cn1,VCBHTDNJZOXNMU-UHFFFAOYSA-N,2,1,0.516,65,981,416.42,2.742,5,0.393,0.68,1.0,0.7001404975669934,0.6160475635665822,0.4195994105955726,0.35183503529573024,0.5219056267562195
EOS-2-38905,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1ccccn1,DMFZWMFSVIDSCH-UHFFFAOYSA-N,2,1,0.438,95,477,416.42,2.742,5,0.393,0.63,1.0,0.4382753066959084,0.32261325474607633,0.17736104447947365,0.18941470769652524,0.2819160784044959
EOS-2-38906,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCc4ncccc4F)n23)c1,ULSWWXUTXSKZLR-UHFFFAOYSA-N,2,1,0.449,46,544,416.42,3.008,5,0.435,0.66,0.996,0.2786306627373038,0.25585120964978414,0.3381279555890617,0.28011274073058734,0.28818064217668427
EOS-2-38907,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)cn1,UWVRPBWCXUJXIL-UHFFFAOYSA-N,2,1,0.545,65,981,416.42,2.742,5,0.42,0.74,1.0,0.5943218422315126,0.5968833527516962,0.3533428140634638,0.31992324035364267,0.4661178123500788
EOS-2-38908,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c1,BFZHGRSZKRJYPM-UHFFFAOYSA-N,2,1,0.581,84,73,416.42,2.742,5,0.42,0.66,1.0,0.5134415050373518,0.44928380508532656,0.4454972243163594,0.44083681721609214,0.4622648379137825
EOS-2-38909,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)cn1,YKPWXYDVBCARKV-UHFFFAOYSA-N,2,1,0.527,65,468,416.42,2.742,5,0.42,0.78,1.0,0.5854722088958947,0.5717993968884929,0.44550579124117606,0.3872678363374683,0.49751130834075796
EOS-2-38910,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1-c1cnccn1,FMJFGXRLPOMUQA-UHFFFAOYSA-N,2,1,0.608,95,493,416.42,2.742,5,0.42,0.73,1.0,0.5009937632787335,0.3177815091494757,0.31621376190802547,0.3293040230278939,0.3660732643410321
EOS-2-38911,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)n1,QLNDBMKSFPKMDT-UHFFFAOYSA-N,2,1,0.511,65,904,416.42,2.742,5,0.42,0.68,1.0,0.5185302583784525,0.4668888355835789,0.4667174970872456,0.4027568364060037,0.46372335686382016
EOS-2-38912,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)nn1,GBGINWMIZMCVHX-UHFFFAOYSA-N,2,1,0.548,15,438,416.42,2.742,5,0.393,0.77,1.0,0.5266859708039202,0.5075388938386677,0.4196079775203893,0.3810396819957508,0.45871813103968195
EOS-2-38913,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cc2)nn1,DLJMRQOVODGNBD-UHFFFAOYSA-N,2,1,0.57,15,475,416.42,2.742,5,0.42,0.8,1.0,0.6544102528956206,0.6160561304913988,0.36077890480433145,0.33602049208416146,0.49181644506887806
EOS-2-38914,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cn(C)cn5)nc4)n23)c1F,MOHRURHSYVDQHZ-UHFFFAOYSA-N,2,1,0.446,55,823,416.42,3.008,5,0.435,0.61,1.0,0.6762130765540402,0.5921886779521623,0.4562230141868275,0.3389932149955452,0.5159044959221438
EOS-2-38915,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)cn1,LFJPTGCQODYKOX-UHFFFAOYSA-N,2,1,0.456,55,468,416.42,3.183,5,0.419,0.71,1.0,0.4197621821670893,0.4042731820985539,0.42361729833458983,0.35822596120896444,0.4014696559522994
EOS-2-38916,Cn1nc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1ccc(F)cc1,FXHIDODWTXVGMT-UHFFFAOYSA-N,2,1,0.536,95,835,416.42,2.742,5,0.42,0.73,1.0,0.5497824001096566,0.4087965184017545,0.34180316633541225,0.364942430265232,0.4163311287780138
EOS-2-38917,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,ISPYONLWAGGUPN-UHFFFAOYSA-N,2,1,0.568,15,931,416.42,2.742,5,0.393,0.77,1.0,0.6336268932903845,0.5029384552121171,0.3607874717291481,0.3261085600712768,0.4558653450757316
EOS-2-38918,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)nc1,DDNVHDGRIKEQSC-UHFFFAOYSA-N,2,1,0.489,18,773,416.42,2.742,5,0.393,0.71,1.0,0.5884106641080118,0.46689740250839556,0.3982849016517031,0.3327136591049277,0.44657665684325953
EOS-2-38919,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cn1,OSIKZZMZHWDLQY-UHFFFAOYSA-N,2,1,0.646,84,73,416.42,2.742,5,0.42,0.75,1.0,0.6483877047495031,0.6061441984785142,0.3014957850729902,0.3107566307998081,0.4666960797752039
EOS-2-38920,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)n1,YPNRCEIBAVXGQY-UHFFFAOYSA-N,2,1,0.522,58,578,416.42,2.742,5,0.393,0.67,1.0,0.6366253169762183,0.6110273456240148,0.3907802755123021,0.32611712699609346,0.4911375162771571
EOS-2-38921,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,JOTLXLWQXRXQAP-UHFFFAOYSA-N,2,1,0.517,65,349,416.42,2.742,5,0.42,0.74,1.0,0.5060311150709341,0.4270869028853403,0.5391165787129052,0.46610067850044545,0.4845838187924063
EOS-2-38922,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1cccnc1,XJKNPQQLDDPGTG-UHFFFAOYSA-N,2,1,0.478,95,493,416.42,2.742,5,0.42,0.7,1.0,0.41732060859433895,0.3417003632376122,0.3496162017682133,0.33900178192036184,0.36190973888013156
EOS-2-38923,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1F,ISJXPIJFFBNIPT-UHFFFAOYSA-N,2,1,0.571,26,361,416.42,2.742,5,0.42,0.69,1.0,0.8529059008978137,0.7079535329997944,0.5045833047769173,0.45035467068741003,0.6289493523404838
EOS-2-38924,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncnc4)n23)c(F)c1,XSVYJAZDTDRGRP-UHFFFAOYSA-N,2,1,0.56,26,361,416.42,2.742,5,0.42,0.7,1.0,0.7721712014255363,0.6930642176684257,0.49085909122061544,0.4408453841409088,0.5992349736138716
EOS-2-38925,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccccn1,ZHXUUHIXJZCAJP-UHFFFAOYSA-N,2,1,0.457,95,493,416.42,2.742,5,0.393,0.65,1.0,0.4934291686656158,0.3271794256733603,0.25044548009046674,0.24719004866013297,0.32956103077239396
EOS-2-38926,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccn1,IORCFAVVEKSRGX-UHFFFAOYSA-N,2,1,0.522,75,624,416.42,2.742,5,0.42,0.65,1.0,0.6057586868617642,0.4580563360975944,0.36814646014666574,0.32931258995271057,0.4403185182646837
EOS-2-38927,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cn1,YWFXASNJBSLISG-UHFFFAOYSA-N,2,1,0.527,65,578,416.42,2.742,5,0.393,0.73,1.0,0.7278116647248304,0.6248629292029333,0.43454869440065796,0.36495099719004864,0.5380435713796177
EOS-2-38928,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)n1,AMYSEMXDSUFWNH-UHFFFAOYSA-N,2,1,0.511,65,904,416.42,2.742,5,0.42,0.63,1.0,0.6280926598588171,0.592197244876979,0.4016688369542869,0.34537557398396274,0.4918335789185115
EOS-2-38929,Cn1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c1,FKQNPSYMJNSGBC-UHFFFAOYSA-N,2,1,0.506,65,904,416.42,2.742,5,0.42,0.65,1.0,0.6396665752861352,0.5488914399287231,0.4840312521417312,0.4187512850387225,0.522835138098828
EOS-2-38930,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)cn1,LUPQGRRURIGUDQ-UHFFFAOYSA-N,2,1,0.444,18,840,416.42,2.742,5,0.393,0.68,1.0,0.45237646494414363,0.31258138578575834,0.4702299362620794,0.3965800836131862,0.40794196765129187
EOS-2-38931,Cn1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)cn1,PMEDOACNONZAGZ-UHFFFAOYSA-N,2,1,0.573,65,847,416.42,2.742,5,0.42,0.73,1.0,0.6668579946542389,0.6637310670961551,0.5221197998766363,0.47821431019121374,0.582730792954561
EOS-2-38932,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccncc1,RVWDYGAXAFFOHV-UHFFFAOYSA-N,2,1,0.467,95,235,416.42,2.742,5,0.42,0.72,0.998,0.4062435748063875,0.27666027002947025,0.29060722363100544,0.29487355218970596,0.3170961551641423
EOS-2-38933,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)cn1,IKBSLXUABAFIIG-UHFFFAOYSA-N,2,1,0.474,87,954,416.42,2.742,5,0.393,0.73,1.0,0.4958793091631828,0.5347303132067713,0.3570351586594476,0.3044856418340073,0.4230326057158522
EOS-2-38934,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)nn1C,RVSRKRWNVKUBKQ-UHFFFAOYSA-N,2,1,0.467,55,283,416.42,3.008,5,0.435,0.72,1.0,0.5316290864231376,0.4756785004454801,0.37601089712836683,0.3011017065314235,0.421105047632102
EOS-2-38935,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)c(F)c4)n23)nn1,RDVKWQSPBJQYBN-UHFFFAOYSA-N,2,1,0.518,36,534,416.42,3.008,5,0.435,0.67,1.0,0.5134500719621684,0.5671989582619423,0.40167740387910356,0.3293211568775272,0.45291189774518537
EOS-2-38936,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)n1,HQXIVKPLWRIYEE-UHFFFAOYSA-N,2,1,0.489,87,838,416.42,2.742,5,0.42,0.7,1.0,0.47880542800356385,0.4492923720101432,0.379797477897334,0.342171544102529,0.41251670550339253
EOS-2-38937,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ncn1,VSZIDFCXUZTKQQ-UHFFFAOYSA-N,2,1,0.511,44,481,416.42,2.742,5,0.42,0.7,1.0,0.5854807758207115,0.36599616201768215,0.39829346857651976,0.3810482489205675,0.43270466383387024
EOS-2-38938,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)cn1,XBSORYVEQSUQAP-UHFFFAOYSA-N,2,1,0.505,87,304,416.42,2.742,5,0.42,0.81,1.0,0.5240987595092865,0.5581694195051744,0.39078884243711876,0.3453841409087794,0.45461029059008984
EOS-2-38939,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)n1,GBPRCKRWZCFSBY-UHFFFAOYSA-N,2,1,0.571,75,904,416.42,2.742,5,0.42,0.61,1.0,0.5445137413474059,0.4493009389349599,0.4087451168528545,0.3518436022205469,0.4386008498389418
EOS-2-38940,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cn2)cn1,RVHVOAKRRZDAGO-UHFFFAOYSA-N,2,1,0.527,87,468,416.42,2.742,5,0.42,0.75,1.0,0.5497909670344733,0.5718079638133096,0.38725070248783494,0.3327222260297444,0.46039296484134057
EOS-2-38941,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c1,MOCXEWGONXSDGA-UHFFFAOYSA-N,2,1,0.539,15,931,416.42,2.742,5,0.42,0.67,1.0,0.5547083818792407,0.48422829141251456,0.2906157905558221,0.2890137756151052,0.40464155986567063
EOS-2-38942,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)c1,AYZJVAGOEAVIMF-UHFFFAOYSA-N,2,1,0.506,65,184,416.42,2.742,5,0.393,0.68,1.0,0.5998046741141799,0.48023610444794734,0.3835754917414845,0.32932972380234393,0.44823649852648895
EOS-2-38943,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)c1,NRELECNSAWRYAE-UHFFFAOYSA-N,2,1,0.511,15,561,416.42,2.742,5,0.393,0.66,1.0,0.5998132410389967,0.47118943184154616,0.26116270303611816,0.2501370707970667,0.3955756116784319
EOS-2-38944,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)nn4C)n23)cc1,ZDQPMBMHGBOJGU-UHFFFAOYSA-N,2,1,0.512,89,731,416.42,3.008,5,0.435,0.7,1.0,0.5523439106298403,0.5392964841340553,0.2504540470152834,0.22685216914536357,0.39223665273113567
EOS-2-38945,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)nn1,FBFWFXPOUIHXQJ-UHFFFAOYSA-N,2,1,0.545,15,438,416.42,2.742,5,0.42,0.77,1.0,0.49101329586731546,0.4711979987663628,0.4306764443835241,0.39970701117126994,0.44814868754711806
EOS-2-38946,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2)nn1,DPALFRKAEXHYHE-UHFFFAOYSA-N,2,1,0.563,15,475,416.42,2.742,5,0.42,0.72,1.0,0.6366338839010349,0.6160646974162155,0.36449695017476524,0.3485796038653965,0.49144378383935305
EOS-2-38947,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)n2)cn1,IXBYQBQGIXXAEO-UHFFFAOYSA-N,2,1,0.542,65,271,416.42,2.742,5,0.393,0.78,1.0,0.5795267630731272,0.5439397573846891,0.3760194640531835,0.3199318072784593,0.45485444794736485
EOS-2-38948,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cn2)cn1,CTERSCXVULUEMX-UHFFFAOYSA-N,2,1,0.483,55,468,416.42,3.183,5,0.392,0.76,1.0,0.3977023507641697,0.3945411555068193,0.43068501130834075,0.34539270783359605,0.39208030635323143
EOS-2-38949,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)cn1,BEVXUQOIIYPXJC-UHFFFAOYSA-N,2,1,0.585,65,215,416.42,2.742,5,0.42,0.73,1.0,0.622421355630183,0.6205280652456994,0.5155575354670687,0.46610924542526216,0.5561540504420533
EOS-2-38950,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)nn1,YMLYVYHTXAEVGE-UHFFFAOYSA-N,2,1,0.573,15,669,416.42,2.742,5,0.393,0.71,1.0,0.6792115002398739,0.62487149612775,0.4236258652594065,0.37797272291138373,0.5264203961346035
EOS-2-38951,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2)n1,VWBXPDZBUUOUNZ-UHFFFAOYSA-N,2,1,0.707,91,309,416.42,2.742,5,0.42,0.77,1.0,0.8217137276403262,0.7309557261325474,0.3455383455554794,0.36183263655678155,0.5650101089712837
EOS-2-38952,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)n1,WXVSCGYRCIVVRB-UHFFFAOYSA-N,2,1,0.595,15,320,416.42,2.742,5,0.393,0.69,1.0,0.8005020217942568,0.7031046535535604,0.37215578096086627,0.3139178260571585,0.5474200705914605
EOS-2-38953,Cn1ncnc1-c1cc(F)c(-c2nnc3cncc(OCCc4ccccc4)n23)cn1,YLDCSERWKSACSS-UHFFFAOYSA-N,2,1,0.63,84,73,416.42,2.742,5,0.42,0.69,0.999,0.6309111781235008,0.48891439928723185,0.23976252484408198,0.2654375985196354,0.4062564251936125
EOS-2-38954,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)cn1,YSQPTLBRGWPLMP-UHFFFAOYSA-N,2,1,0.512,65,468,416.42,2.742,5,0.393,0.71,1.0,0.562975464327325,0.577136591049277,0.45280481118497706,0.3746401891577,0.4918892639298198
EOS-2-38955,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1,NHIZGNRAKBAOAM-UHFFFAOYSA-N,2,1,0.561,36,734,416.42,3.183,5,0.392,0.69,1.0,0.7064029196079775,0.47568706737029676,0.38358405866630113,0.34218011102734563,0.47696353916798023
EOS-2-38956,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)cn1,UQADGQHONNANFX-UHFFFAOYSA-N,2,1,0.444,92,468,416.42,3.183,5,0.419,0.77,1.0,0.44745048317455965,0.43180727845932426,0.4528133781097937,0.38105681584538414,0.42828198889726543
EOS-2-38957,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cn2)cn1,AHECMELJNMMXIL-UHFFFAOYSA-N,2,1,0.444,55,468,416.42,3.183,5,0.392,0.7,1.0,0.39122575560276884,0.4182629703241724,0.4383866767185251,0.3582345281337811,0.40152748269481187
EOS-2-38958,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccn2)cn1,NKTHYCHNSVYNOI-UHFFFAOYSA-N,2,1,0.549,75,329,416.42,2.742,5,0.393,0.71,1.0,0.5266945377287369,0.45378144061407716,0.4769464053183469,0.39658865053800285,0.46350275854979095
EOS-2-38959,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)cn1,MTZVKDYXLMQQJQ-UHFFFAOYSA-N,2,1,0.424,18,840,416.42,2.742,5,0.393,0.67,1.0,0.43574806387499143,0.39454972243163594,0.4087536837776712,0.36820642862038244,0.40181447467617026
EOS-2-38960,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nc2)cn1,NBDJPZPXBIGBKC-UHFFFAOYSA-N,2,1,0.461,18,773,416.42,2.742,5,0.393,0.76,1.0,0.5267031046535535,0.44039990405044205,0.4562315811116442,0.3779812898362004,0.45032896991296
EOS-2-38961,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,MQPFMKMRWNIGMK-UHFFFAOYSA-N,2,1,0.552,15,438,416.42,2.742,5,0.42,0.6,1.0,0.5316376533479542,0.4669059694332123,0.44196765129189225,0.41559865670618873,0.46402748269481187
EOS-2-38962,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ccc2F)cn1,KWKIHTXRFKHCPC-UHFFFAOYSA-N,2,1,0.58,65,847,416.42,2.742,5,0.42,0.68,1.0,0.7635957096840518,0.6637396340209718,0.5322716057843876,0.4813412377492975,0.6102370468096772
EOS-2-38963,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ccn2)cn1,NXMNQVJBXOFIDJ-UHFFFAOYSA-N,2,1,0.466,92,329,416.42,3.183,5,0.419,0.77,1.0,0.40387053663217054,0.33666301144541155,0.4631879240627784,0.3907545747378521,0.3986190117195531
EOS-2-38964,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5cncc(F)c5)ccn4)n23)cn1,MDZLSAFFQDWNAI-UHFFFAOYSA-N,2,1,0.43,18,840,416.42,2.742,5,0.42,0.7,1.0,0.44997772599547664,0.3515523267767802,0.4016859708039202,0.3810653827702008,0.3960703515865945
EOS-2-38965,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccn1,MQJZNUNUQHQWIA-UHFFFAOYSA-N,2,1,0.542,75,359,416.42,2.742,5,0.393,0.62,1.0,0.6792200671646905,0.49855218970598314,0.33097457336714414,0.2832054005894044,0.44798805770680555
EOS-2-38966,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)nc4)n23)ccc1F,HWKHBVRFQTWOIX-UHFFFAOYSA-N,2,1,0.472,4,617,416.42,3.008,5,0.435,0.64,1.0,0.4568655335480776,0.4936947433349325,0.36450551709958195,0.27119457199643615,0.39656509149475705
EOS-2-38967,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)cc2)cc1,QITHFRYUICGHEN-UHFFFAOYSA-N,2,1,0.478,83,472,416.419,5.008,5,0.412,0.8,1.0,0.47620108285929685,0.7537094784456172,0.9803646083201973,0.9835686382016311,0.7984609519566856
EOS-2-38968,Cc1sc(-c2ccns2)nc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,TXEBWIFLTHEJPP-UHFFFAOYSA-N,2,1,0.506,40,120,483.582,5.321,6,0.317,0.67,1.0,0.37522274004523337,0.3515608937015969,0.16762045096292236,0.1838890411897745,0.2695732814748818
EOS-2-38969,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncs6)cn5)n34)cc2)cs1,SVYGANXSUQQSJL-UHFFFAOYSA-N,2,1,0.554,41,592,483.582,5.321,6,0.317,0.66,1.0,0.46126893290384485,0.4580649030224111,0.4306935782331574,0.34858817079021315,0.4246538962374066
EOS-2-38970,Cc1csc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cncs6)cn5)n34)n2)c1,BVQPOYUVHHCMMU-UHFFFAOYSA-N,2,1,0.424,28,414,483.582,5.321,6,0.317,0.61,0.999,0.34296826811047904,0.3660047289424988,0.3418117332602289,0.2919179631279556,0.3356756733602906
EOS-2-38971,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nccs6)n5)n34)cc2)cs1,NJNAJAADEGRFGZ-UHFFFAOYSA-N,2,1,0.535,28,120,483.582,5.321,6,0.317,0.65,1.0,0.45463813309574397,0.4889229662120485,0.2834281406346378,0.22992769515454733,0.3642292337742444
EOS-2-38972,c1csc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cnsc6)nc5)n34)nc2)c1,JXSOVSOHNRLQKU-UHFFFAOYSA-N,2,1,0.5,6,687,483.582,5.055,6,0.314,0.56,1.0,0.5267116715783702,0.42709546981015695,0.37602803097800014,0.35486772668083066,0.4211757247618395
EOS-2-38973,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)cc2O)cn1,MBJXIUKSFRHTCU-UHFFFAOYSA-N,2,1,0.633,43,623,416.416,3.616,5,0.471,0.69,1.0,0.7835737783565211,0.7126396408745117,0.8132667397710918,0.7453481598245494,0.7637070797066685
EOS-2-38974,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)o1,CSGZXLPPHZDJEC-UHFFFAOYSA-N,2,1,0.552,35,655,416.416,3.91,5,0.414,0.73,1.0,0.826956685628127,0.6296090055513672,0.6223099856075663,0.5437170173394559,0.6556481735316291
EOS-2-38975,Cc1ccc(-c2nnc3cncc(OCc4oc(C)nc4-c4ccc(F)cc4)n23)cn1,BUCRZBREKRUXKC-UHFFFAOYSA-N,2,1,0.543,1,92,416.416,4.176,5,0.424,0.7,1.0,0.8807826742512508,0.8381365225138784,0.48403981906654786,0.4284062093071071,0.6578413062846961
EOS-2-38976,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)on1,VOIQQRBVOGPNIP-UHFFFAOYSA-N,2,1,0.617,35,393,416.416,3.91,5,0.414,0.78,1.0,0.6252056061956001,0.582422383661161,0.6338153656363512,0.5695719964361593,0.6027538379823179
EOS-2-38977,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cc2)o1,XKZFMNLOXCPDIM-UHFFFAOYSA-N,2,1,0.731,91,660,416.416,3.91,5,0.414,0.78,1.0,0.922272291138373,0.872267150983483,0.535612706462888,0.4965817969981495,0.7066834863957234
EOS-2-38978,Cn1cc(COc2cncc3nnc(-c4ccc(O)cc4)n23)c(-c2ccc(F)cc2)n1,FKTWAJGIXFQBRS-UHFFFAOYSA-N,2,1,0.58,43,372,416.416,3.616,5,0.471,0.72,1.0,0.6544188198204373,0.6687255842642725,0.6576913851004044,0.6271759989034337,0.6520029470221369
EOS-2-38979,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2)o1,VRCXLTNUXSQVBF-UHFFFAOYSA-N,2,1,0.688,91,660,416.416,3.91,5,0.414,0.8,1.0,0.9367161263792749,0.8722757179082996,0.5356212733877047,0.4997344253306833,0.7110868857514906
EOS-2-38980,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(CO)c(F)c5)n34)cc2)cn1,RMIGEIFIESKEJN-UHFFFAOYSA-N,2,1,0.506,13,15,416.416,3.616,5,0.471,0.76,1.0,0.6911195257350421,0.6160732643410322,0.8617812350078816,0.7965441025289562,0.741379531903228
EOS-2-38981,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)o1,HEXZWSHCCOVJOO-UHFFFAOYSA-N,2,1,0.528,11,159,416.416,3.91,5,0.414,0.71,1.0,0.6639024055924885,0.46269960934822835,0.5727331916935097,0.5135871427592351,0.5532305873483654
EOS-2-38982,COc1cc(-c2nnnn2C)ccc1-c1nnc2cncc(OCc3cccnn3)n12,SIKMCELMIKSYNF-UHFFFAOYSA-N,2,1,0.489,36,447,416.405,1.359,5,0.4,0.79,1.0,0.2521759989034336,0.14295627441573572,0.05439140566102392,0.03287129052155438,0.12059874237543691
EOS-2-38983,OCc1n[nH]c(-c2ccnc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)n1,YRQVITVRZIWYQY-UHFFFAOYSA-N,2,1,0.412,31,361,416.405,0.875,5,0.391,0.56,0.959,0.36609039819066547,0.2714515797409362,0.04707525186758961,0.039536358028921935,0.1810383969570283
EOS-2-38984,COc1cc(-c2nnc3cncc(OCc4ccncn4)n23)ccc1-c1nnnn1C,WVABXCGIKOUVEN-UHFFFAOYSA-N,2,1,0.516,36,728,416.405,1.359,5,0.4,0.76,1.0,0.27863922966212046,0.15839387293537113,0.06800424919470907,0.0382427523816051,0.13582002604345145
EOS-2-38985,COc1nncnc1COc1cncc2nnc(-c3ccc(-c4n[nH]c(C)n4)cc3)n12,CXQJDJORHRYOPX-UHFFFAOYSA-N,2,1,0.449,36,320,416.405,1.657,5,0.434,0.6,1.0,0.4106898087862381,0.22010143238982935,0.03257144815297101,0.01482077993283531,0.16954586731546842
EOS-2-38986,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5nnnn5C)n34)cn2)cn1,NKMWTPDBMNJYIN-UHFFFAOYSA-N,2,1,0.393,92,728,416.405,1.359,5,0.4,0.73,1.0,0.3310602426153108,0.2304417106435474,0.03135494482900418,0.017262353505585634,0.15252981289836198
EOS-2-38987,COc1ncc(-c2nnc3cncc(OCc4ccc(-c5cn(C)nn5)cn4)n23)cn1,HFNSATFDYHSDLC-UHFFFAOYSA-N,2,1,0.472,92,903,416.405,1.359,5,0.4,0.63,1.0,0.17728394215612364,0.12874374614488382,0.05994277294222466,0.022659516140086353,0.09715749434582963
EOS-2-38988,Cn1ncnc1COc1cncc2nnc(-c3cncc(-c4cnn(C)c(=O)c4)c3)n12,JFOHGMKLRFRMGI-UHFFFAOYSA-N,2,1,0.366,92,36,416.405,0.654,5,0.405,0.63,1.0,0.2302018367486807,0.13204201219930095,0.03658933589198821,0.025195325885820026,0.10600712768144747
EOS-2-38989,COc1cc(-c2nnc3cncc(OCc4nnnn4C)n23)ccc1-c1ccnnc1,BJIVZKQXESASIG-UHFFFAOYSA-N,2,1,0.422,36,638,416.405,1.359,5,0.4,0.69,1.0,0.2869063121102049,0.23045027756836406,0.058049482557741075,0.044470906723322594,0.15496924473990817
EOS-2-38990,COc1cc(-c2nnc3cncc(OCCc4ccno4)n23)ccc1-c1cnncn1,BDTOBBJHIVZNDC-UHFFFAOYSA-N,2,1,0.517,15,771,416.401,2.261,5,0.39,0.66,1.0,0.4591186347748612,0.20522925090809402,0.22503598108423,0.1440014392433692,0.2583463265026386
EOS-2-38991,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5nnc(C)o5)nc4)n23)c1,JQEIIDYDVARWMZ-UHFFFAOYSA-N,2,1,0.473,4,617,416.401,2.527,5,0.407,0.8,1.0,0.34297683503529575,0.25096806250428344,0.12494003152628333,0.06260708656020834,0.19537300390651768
EOS-2-38992,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)cn2)no1,LEJKMPSIOVUWGY-UHFFFAOYSA-N,2,1,0.58,89,863,416.401,2.011,5,0.437,0.7,1.0,0.6113186210677816,0.36601329586731546,0.11074463710506477,0.08566068124186142,0.2934343088205058
EOS-2-38993,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)o1,AXQMFUCEPLQMTQ-UHFFFAOYSA-N,2,1,0.563,58,579,416.401,2.261,5,0.39,0.66,0.943,0.5657939825920087,0.3707508052909328,0.05252381605099034,0.029855732986087315,0.2547310842300048
EOS-2-38994,COc1nc(-c2nnc3cncc(OCc4ccnc(C)c4)n23)ccc1-c1nnco1,BIBSXVUTFSUBPC-UHFFFAOYSA-N,2,1,0.413,49,501,416.401,2.527,5,0.407,0.59,0.999,0.3660989651154821,0.10244328695771365,0.1305856349804674,0.06117641011582482,0.165076074292372
EOS-2-38995,COc1cc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1-c1ncon1,CNDOLWWMPJEWCG-UHFFFAOYSA-N,2,1,0.506,15,604,416.401,2.261,5,0.39,0.7,1.0,0.5293245836474539,0.2663285587005688,0.1305942019052841,0.0840415324515112,0.2525722191762045
EOS-2-38996,COc1cc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)ccc1-c1ncon1,UHVWZWCTBZCDJS-UHFFFAOYSA-N,2,1,0.517,4,248,416.401,2.527,5,0.407,0.68,1.0,0.3706137344938661,0.1871701733945583,0.15804262901788774,0.08226817901446097,0.19952367898019327
EOS-2-38997,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)o1,HXIDLKKPZBHADX-UHFFFAOYSA-N,2,1,0.531,65,981,416.401,2.261,5,0.39,0.71,1.0,0.552352477554657,0.3317198958261942,0.0907494345829621,0.05374888629977383,0.2571426735658968
EOS-2-38998,COc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cn3)n12,DIPICFPYWOMPHS-UHFFFAOYSA-N,2,1,0.462,49,773,416.401,2.261,5,0.39,0.64,1.0,0.44998629292029335,0.17877458707422383,0.09520423548762937,0.05246384757727366,0.19410724076485505
EOS-2-38999,COc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncon1,XPPRGRASWFIVJH-UHFFFAOYSA-N,2,1,0.466,49,896,416.401,2.261,5,0.39,0.59,1.0,0.47387087930916316,0.13562298677266807,0.07663970940991022,0.04865156603385649,0.18369628538139948
EOS-2-39000,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)nn2)no1,ALUVYTADOCNFMP-UHFFFAOYSA-N,2,1,0.511,89,926,416.401,2.011,5,0.437,0.75,1.0,0.4738794462339799,0.3366715783702282,0.11663011445411554,0.09331951202796245,0.2551251627715715
EOS-2-39001,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccccc5F)n34)nc2)cn1,PNCSXDHSTUUNCV-UHFFFAOYSA-N,2,1,0.562,1,744,416.391,4.106,5,0.402,0.75,1.0,0.6851226783633747,0.7749554519909533,0.8571893633061476,0.8492649578507299,0.7916331128778014
EOS-2-39002,Fc1ccc(-c2nnc3cncc(OCc4nnccc4-c4ccccc4)n23)c(F)c1,KDSPAXQUOOHYQR-UHFFFAOYSA-N,2,1,0.573,57,146,416.391,4.106,5,0.429,0.66,1.0,0.7518076211363169,0.8857943252690015,0.8030292646151738,0.8339215955040779,0.8186382016311425
EOS-2-39003,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cc1,CAVBCGJBOJQBGP-UHFFFAOYSA-N,2,1,0.6,97,801,416.391,4.106,5,0.402,0.83,1.0,0.9112466588993215,0.8608988417517648,0.8821876499211843,0.8708707422383661,0.8813009732026591
EOS-2-39004,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)cc1F,NEZWRNWCGUCZHM-UHFFFAOYSA-N,2,1,0.571,1,666,416.391,4.106,5,0.429,0.69,1.0,0.6639109725173052,0.6543588513467206,0.8397556713042287,0.8259029538756768,0.7459821122609828
EOS-2-39005,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccccc5F)n34)nc2)c1,RKYRLHVIXNPEOM-UHFFFAOYSA-N,2,1,0.575,97,71,416.391,4.106,5,0.429,0.76,1.0,0.727820231649647,0.77496401891577,0.8542080734699472,0.8559557261325474,0.8032370125419779
EOS-2-39006,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5cccc(F)c5)n34)c2)nc1,AJKLONQIMQHFNN-UHFFFAOYSA-N,2,1,0.597,43,293,416.391,4.106,5,0.429,0.78,1.0,0.8707850729901995,0.80018504557604,0.8169333835926256,0.8140034953053252,0.8254767493660475
EOS-2-39007,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)c1,UZYNZBZWSKRARS-UHFFFAOYSA-N,2,1,0.557,97,91,416.391,4.106,5,0.402,0.77,1.0,0.9446062641354259,0.8450243300664794,0.8963059420190529,0.8822047837708177,0.892035329997944
EOS-2-39008,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4)n23)cc1F,AUFJFQRJCSIIBX-UHFFFAOYSA-N,2,1,0.658,43,293,416.391,4.106,5,0.429,0.78,1.0,0.9667174970872455,0.9315160030155575,0.8781611952573504,0.857849016517031,0.9085609279692961
EOS-2-39009,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cn2)cc1,FSOMPNZJYALWMA-UHFFFAOYSA-N,2,1,0.542,97,801,416.391,4.106,5,0.429,0.83,1.0,0.6483962716743198,0.7792389143992873,0.8445188815022959,0.8528116647248304,0.7812414330751833
EOS-2-39010,FC(F)Oc1ccc(-c2nnc3cncc(-c4cccc(-c5cnccn5)c4)n23)cc1,DUPDQTDEZJPLAB-UHFFFAOYSA-N,2,1,0.514,96,121,416.391,4.517,5,0.419,0.85,1.0,0.49588787608799945,0.629617572476184,0.9277294222465904,0.9115293674182715,0.7411910595572614
EOS-2-39011,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)cn1,BEDRKNFTQGIWDK-UHFFFAOYSA-N,2,1,0.592,97,992,416.391,4.106,5,0.402,0.81,1.0,0.934497292851758,0.8238982934685766,0.8996727434720033,0.8751542046467,0.8833056336097596
EOS-2-39012,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5F)cn4)n23)cc1,YHUXZCUBOVONFX-UHFFFAOYSA-N,2,1,0.641,1,850,416.391,4.106,5,0.402,0.79,1.0,0.8988074840655198,0.8961945719964362,0.8661332328147489,0.8543622781166472,0.8788743917483379
EOS-2-39013,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4)n23)c(F)c1,DFGMEKGUSRKFQV-UHFFFAOYSA-N,2,1,0.605,97,293,416.391,4.106,5,0.429,0.8,1.0,0.9397145500651086,0.9285090124049071,0.8557329860873141,0.8419573709821122,0.8914784798848605
EOS-2-39014,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)nc1,RPYBLYUGVZDYDR-UHFFFAOYSA-N,2,1,0.529,97,992,416.391,4.106,5,0.402,0.77,1.0,0.8640429031594818,0.6980587348365431,0.8661417997395655,0.847380234391063,0.8189059180316633
EOS-2-39015,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)c1,OQXGCVIUXRSDTE-UHFFFAOYSA-N,2,1,0.636,43,613,416.391,4.106,5,0.429,0.77,1.0,0.9594099102186279,0.9157528613528888,0.8632461791515318,0.8595195668562813,0.8994821293948324
EOS-2-39016,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccncc5)n34)ccn2)cc1F,DLQNCNGWKQASEU-UHFFFAOYSA-N,2,1,0.59,97,183,416.391,4.106,5,0.429,0.77,1.0,0.8571893633061476,0.7957645123706394,0.9030909464738538,0.8877561510520183,0.8609502433006648
EOS-2-39017,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)cc1,COJFMIGNTSGTTP-UHFFFAOYSA-N,2,1,0.625,43,613,416.391,4.106,5,0.429,0.78,1.0,0.8807912411760674,0.8485710369405798,0.8632547460763484,0.8595281337810979,0.8630362894935234
EOS-2-39018,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnc5)n34)cc2F)cn1,CMAGIDDCMHDPFY-UHFFFAOYSA-N,2,1,0.543,97,91,416.391,4.106,5,0.402,0.75,1.0,0.9067061887464876,0.8161452265094922,0.89968131039682,0.8835412240422178,0.8765184874237544
EOS-2-39019,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1F,QSINJPXAPGVPAQ-UHFFFAOYSA-N,2,1,0.757,97,96,416.391,4.106,5,0.429,0.73,1.0,0.9697844561716127,0.9212528270851895,0.9310876567747242,0.9159756013981222,0.9345251353574122
EOS-2-39020,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccncc5)n34)c2)c(F)c1,JWULDZQBDLWKSG-UHFFFAOYSA-N,2,1,0.512,97,666,416.391,4.106,5,0.429,0.72,1.0,0.797632101980673,0.7126482077993284,0.8571979302309642,0.841965937906929,0.8023610444794738
EOS-2-39021,Fc1cc(-c2nnc3cncc(OCc4cccnc4)n23)ccc1-c1cccnc1F,BFBNZVDZKOWUMY-UHFFFAOYSA-N,2,1,0.537,97,91,416.391,4.106,5,0.402,0.73,1.0,0.9274981152765404,0.819863271879926,0.8890668905489686,0.8693543965458159,0.8764456685628128
EOS-2-39022,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2F)cn1,LCOUNEFHGRBZAC-UHFFFAOYSA-N,2,1,0.697,97,744,416.391,4.106,5,0.402,0.73,1.0,0.7458536083887328,0.7667397710917689,0.8688660818312659,0.852820231649647,0.8085699232403537
EOS-2-39023,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)c1F,ISOUPSRUILSRTN-UHFFFAOYSA-N,2,1,0.536,59,962,416.391,4.106,5,0.429,0.73,1.0,0.8458296209992461,0.7878915084641217,0.919667945994106,0.9079997943938044,0.8653472174628195
EOS-2-39024,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)c(F)c1,CKGITGLTGLLXJA-UHFFFAOYSA-N,2,1,0.541,97,232,416.391,4.106,5,0.429,0.81,1.0,0.882556027688301,0.8695086011925159,0.8688746487560826,0.8559642930573641,0.8692258926735659
EOS-2-39025,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnnc5)cc4)n23)cc1F,NREFEAHZPKJGOY-UHFFFAOYSA-N,2,1,0.649,43,96,416.391,4.106,5,0.429,0.74,1.0,0.9222808580631896,0.9285175793297238,0.9310962236995408,0.9191453635802892,0.9252600061681858
EOS-2-39026,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)cn5)c4)n23)cc1,BTDHNWAZEQMEBG-UHFFFAOYSA-N,2,1,0.608,97,232,416.391,4.106,5,0.429,0.74,1.0,0.9607377835652114,0.9116236035912549,0.8756767870605168,0.8723271194571997,0.9050913234185457
EOS-2-39027,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccccn5)n34)c2)cc1F,PMWABDRNVPBDNF-UHFFFAOYSA-N,2,1,0.646,59,137,416.391,4.106,5,0.429,0.69,1.0,0.6607326434103215,0.7171030087039956,0.8794719347543006,0.8723356863820163,0.7824108183126585
EOS-2-39028,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)n5)n34)c2)cc1,JDJAIKTYJWCCIM-UHFFFAOYSA-N,2,1,0.477,1,560,416.391,4.106,5,0.402,0.81,1.0,0.597148927421013,0.6160818312658488,0.8184754300596258,0.829997943938044,0.7154260331711328
EOS-2-39029,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c(F)c1,NXVCAMBVWGSIBY-UHFFFAOYSA-N,2,1,0.568,43,433,416.391,4.106,5,0.429,0.76,1.0,0.9488468919196765,0.9116321705160716,0.8963145089438695,0.887764717976835,0.9111395723391131
EOS-2-39030,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccc(F)c5)n4)n23)cc1,VDOVIDKEVQTSQG-UHFFFAOYSA-N,2,1,0.562,57,210,416.391,4.106,5,0.429,0.84,1.0,0.9262302104036735,0.9346686313480913,0.7772513878418204,0.8116475909807416,0.8624494551435817
EOS-2-39031,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2)nn1,JSEJPDCFDJQYFJ-UHFFFAOYSA-N,2,1,0.518,13,145,416.391,4.627,5,0.425,0.76,1.0,0.7217205811801796,0.8198718388047427,0.8617898019326983,0.8400469467479953,0.8108572921664039
EOS-2-39032,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2)nc1,ZKBJMRJPXYQIBA-UHFFFAOYSA-N,2,1,0.529,1,31,416.391,4.106,5,0.402,0.77,1.0,0.8550047974778974,0.7792474813241039,0.8258429854019601,0.8116561579055582,0.8179378555273799
EOS-2-39033,Fc1ccc(F)c(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cn4)n23)c1,QQELGXCFXAEMJX-UHFFFAOYSA-N,2,1,0.617,34,850,416.391,4.106,5,0.429,0.81,1.0,0.7064114865327942,0.7667483380165856,0.8278647796586938,0.8239753957919266,0.7812500000000001
EOS-2-39034,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2)cn1,KLFDWLOZTGLEBD-UHFFFAOYSA-N,2,1,0.544,13,913,416.391,4.627,5,0.425,0.77,1.0,0.8640514700842985,0.8664759098074155,0.890163456925502,0.8595367007059146,0.8700568843807827
EOS-2-39035,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccnc5)n34)c2)cc1F,KIKIMJRVLPBMLS-UHFFFAOYSA-N,2,1,0.482,59,153,416.391,4.106,5,0.429,0.77,1.0,0.7186022205469125,0.6160903981906655,0.8833613186210678,0.8765077787677336,0.7736404290315949
EOS-2-39036,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ccccc5)ncn4)n23)c1,OABSQXXSGCPHPE-UHFFFAOYSA-N,2,1,0.449,44,130,416.391,4.106,5,0.429,0.74,0.987,0.7692241792886025,0.6783890754574737,0.8413319854704955,0.8543708450414639,0.7858290213145089
EOS-2-39037,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ccn5)cn4)n23)cc1,LWSCAMIRGSIMOU-UHFFFAOYSA-N,2,1,0.6,97,850,416.391,4.106,5,0.429,0.77,1.0,0.8242752381605098,0.8664844767322322,0.8512267836337468,0.8528287985744637,0.8487038242752382
EOS-2-39038,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)nc4)n23)cc1,OVTZJUGXTVZRMH-UHFFFAOYSA-N,2,1,0.636,97,232,416.391,4.106,5,0.402,0.82,1.0,0.9687564251936125,0.9029196079775204,0.8781697621821671,0.862723596737715,0.9031423480227538
EOS-2-39039,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)cc1,KGJIEVNXEOBOND-UHFFFAOYSA-N,2,1,0.507,96,121,416.391,4.517,5,0.419,0.87,1.0,0.5086097594407512,0.6588821876499212,0.9252278802001234,0.9058923308889041,0.7496530395449249
EOS-2-39040,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)nc4)n23)c(F)c1,IAEVUVPTNHTWNP-UHFFFAOYSA-N,2,1,0.573,24,805,416.391,4.106,5,0.429,0.79,1.0,0.9035364265643204,0.8912257556027688,0.8298865739154273,0.8200089096018094,0.8611644164210815
EOS-2-39041,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)c(F)c1,UGLWPTTYPCNQTR-UHFFFAOYSA-N,2,1,0.56,97,146,416.391,4.106,5,0.429,0.76,1.0,0.8571979302309642,0.8937786991981358,0.9092248646425879,0.9047015283393873,0.8912257556027687
EOS-2-39042,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cc1,ZPLXNRXISDHKSZ-UHFFFAOYSA-N,2,1,0.5,96,121,416.391,4.517,5,0.419,0.83,1.0,0.5185388253032691,0.6543674182715372,0.8996898773216366,0.8808083750257008,0.7383511239805359
EOS-2-39043,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccnn5)n34)c2)cc1F,OJCKCXGNFUHZSH-UHFFFAOYSA-N,2,1,0.573,57,80,416.391,4.106,5,0.429,0.74,1.0,0.7278287985744637,0.7667569049414023,0.8716503323966829,0.8751627715715167,0.8103497018710164
EOS-2-39044,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1F,JDPFJGNPQLBKDO-UHFFFAOYSA-N,2,1,0.595,97,22,416.391,4.106,5,0.429,0.74,1.0,0.8217222945651429,0.8001936125008567,0.8821962168460009,0.8693629634706326,0.8433687718456584
EOS-2-39045,Fc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccc(F)cn4)n23)cc1,VAJYVICSXKHNPZ-UHFFFAOYSA-N,2,1,0.628,59,232,416.391,4.106,5,0.429,0.77,1.0,0.9775460900555136,0.9418734151189089,0.7966212048523063,0.8072013570008909,0.8808105167569049
EOS-2-39046,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccccc5)n34)ncc2F)cn1,GCUHFDIXIJLOLV-UHFFFAOYSA-N,2,1,0.536,1,700,416.391,4.106,5,0.402,0.75,1.0,0.7976406689054897,0.7403964772805154,0.84952196559523,0.8359176889863614,0.8058692001918992
EOS-2-39047,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5F)cn4)n23)cc1,PAEZEFRKUUYGEQ-UHFFFAOYSA-N,2,1,0.57,34,929,416.391,4.106,5,0.429,0.81,1.0,0.9001524912617367,0.9116407374408882,0.8223648139263929,0.8438078267425125,0.8694914673428826
EOS-2-39048,FC(F)Oc1cccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c1,ZWNOFLRCHBPVFZ-UHFFFAOYSA-N,2,1,0.404,96,121,416.391,4.517,5,0.419,0.82,1.0,0.4860787471729148,0.620536632170516,0.9149561373449386,0.8999211842916867,0.730373175245014
EOS-2-39049,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)cc1F,XEURZSPSZROELJ-UHFFFAOYSA-N,2,1,0.595,59,153,416.391,4.106,5,0.429,0.78,1.0,0.8032348708107737,0.6980673017613598,0.8914142279487355,0.8835497909670345,0.8190665478719759
EOS-2-39050,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)c1,HGWMQQUNEYFWTR-UHFFFAOYSA-N,2,1,0.455,97,153,416.391,4.106,5,0.429,0.81,1.0,0.7153981906654787,0.6346292234939346,0.8809111781235008,0.8808169419505174,0.7779388835583579
EOS-2-39051,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)cc1F,OYTMPIRBGNAVRK-UHFFFAOYSA-N,2,1,0.58,1,700,416.391,4.106,5,0.429,0.72,1.0,0.9049242683846207,0.8962031389212528,0.8223733808512097,0.8278476458090603,0.8628371084915359
EOS-2-39052,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)cc1,PAAQPSFJWMZZPW-UHFFFAOYSA-N,2,1,0.671,43,613,416.391,4.106,5,0.429,0.77,1.0,0.9607463504900281,0.9249880063052567,0.8716588993214995,0.8643341786032486,0.9054318586800082
EOS-2-39053,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c2)cc1,DVEKMAVULCSGAN-UHFFFAOYSA-N,2,1,0.5,97,560,416.391,4.106,5,0.402,0.79,1.0,0.7636042766088684,0.6980758686861764,0.8744088821876499,0.8738691659241998,0.8024895483517236
EOS-2-39054,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)c(F)c1,UZWAELLKMDQWAJ-UHFFFAOYSA-N,2,1,0.573,1,700,416.391,4.106,5,0.429,0.74,1.0,0.8242838050853266,0.8858028921938181,0.790255979713522,0.8094287574532246,0.8274428586114728
EOS-2-39055,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cc4)n23)cc1F,BJEXWWMDCKITTR-UHFFFAOYSA-N,2,1,0.64,59,326,416.391,4.106,5,0.429,0.74,1.0,0.95048317455966,0.9175176478651224,0.9295541772325406,0.9159841683229388,0.9283847919950654
EOS-2-39056,Fc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,AESKQFLHUIGEFG-UHFFFAOYSA-N,2,1,0.564,97,332,416.391,4.106,5,0.429,0.69,1.0,0.9504917414844767,0.8779298882873003,0.9129429100130217,0.9033650880679871,0.9111824069631965
EOS-2-39057,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc(F)n1,AXFALZSXJSTYPA-UHFFFAOYSA-N,2,1,0.5,1,700,416.391,4.106,5,0.402,0.72,1.0,0.8768675896100336,0.7836765814543212,0.829895140840244,0.8116647248303749,0.8255260091837434
EOS-2-39058,FC(F)Oc1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)nc4)n23)cc1,MMHRRBPYGJERPE-UHFFFAOYSA-N,2,1,0.521,96,553,416.391,4.517,5,0.419,0.85,1.0,0.5523610444794737,0.6346377904187512,0.8890754574737852,0.872344253306833,0.7371046364197107
EOS-2-39059,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5F)n4)n23)cc1,PKPJDJQXVXXVKC-UHFFFAOYSA-N,2,1,0.59,1,436,416.391,4.106,5,0.402,0.79,1.0,0.8529144678226304,0.8858114591186348,0.8113391816873415,0.8051281611952573,0.838798317455966
EOS-2-39060,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nc5)n4)n23)cc1,YUQUGJFOPSVESC-UHFFFAOYSA-N,2,1,0.554,1,436,416.391,4.106,5,0.402,0.78,1.0,0.87482009457885,0.883018641628401,0.8348125556850113,0.8259115208004935,0.854640703173189
EOS-2-39061,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1F,XRLNNXHEFHRJMR-UHFFFAOYSA-N,2,1,0.595,59,294,416.391,4.106,5,0.429,0.8,1.0,0.8881930642176684,0.7792560482489206,0.8602391885408813,0.8473888013158797,0.8437692755808375
EOS-2-39062,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,ZQKFOCOKBFAJJX-UHFFFAOYSA-N,2,1,0.568,43,433,416.391,4.106,5,0.429,0.76,1.0,0.9446148310602426,0.902928174902337,0.895115139469536,0.8877732849016517,0.9076078575834419
EOS-2-39063,FC(F)Oc1ccccc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,UUYUKCSLSMBYEB-UHFFFAOYSA-N,2,1,0.39,96,121,416.391,4.517,5,0.419,0.78,1.0,0.5134586388869852,0.5581779864299911,0.8996984442464533,0.8822133506956343,0.713387105064766
EOS-2-39064,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cccc(F)c5)ccn4)n23)nc1,GNTIYSIPCBNTEC-UHFFFAOYSA-N,2,1,0.529,97,560,416.391,4.106,5,0.429,0.77,1.0,0.5267202385031869,0.5532006031115071,0.8278733465835104,0.8456240148036461,0.6883545507504626
EOS-2-39065,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccccc5)n4)n23)cc1,ZKIXMFBKVAKSCA-UHFFFAOYSA-N,2,1,0.577,57,210,416.391,4.106,5,0.429,0.76,1.0,0.9512627647179769,0.9403313686519087,0.6874443149886916,0.7376036597902816,0.8291605270372147
EOS-2-39066,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncccc5F)n34)c2)cc1,XHFLOWHMGZNZQZ-UHFFFAOYSA-N,2,1,0.477,97,560,416.391,4.106,5,0.429,0.83,1.0,0.6309197450483175,0.6391696936467686,0.8113477486121582,0.8339301624288945,0.7288418374340346
EOS-2-39067,Fc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(F)nc5)c4)n23)cc1,ZHOJRHLHENULNA-UHFFFAOYSA-N,2,1,0.628,97,232,416.391,4.106,5,0.402,0.82,1.0,0.9626910424234117,0.9267270920430403,0.8833698855458845,0.8708793091631828,0.9109168322938799
EOS-2-39068,Fc1ccc(-c2ccc(F)c(-c3nnc4cncc(OCc5ccccn5)n34)c2)nc1,WUJWUDIJAFZGKZ-UHFFFAOYSA-N,2,1,0.617,34,850,416.391,4.106,5,0.429,0.78,1.0,0.7031132204783771,0.7216177780823796,0.8242752381605098,0.820017476526626,0.7672559283119731
EOS-2-39069,Fc1cccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c2)c1,BFKMQXKZCSKPHL-UHFFFAOYSA-N,2,1,0.56,97,137,416.391,4.106,5,0.429,0.74,1.0,0.5823795490370777,0.6441385100404359,0.864685422520732,0.8765163456925502,0.7419299568226989
EOS-2-39070,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)c4)n23)cc1F,CDUKIDJMXCAQSA-UHFFFAOYSA-N,2,1,0.554,97,89,416.391,4.106,5,0.429,0.73,1.0,0.9197707490919059,0.8884586388869852,0.8833784524707011,0.8693715303954492,0.8902448427112604
EOS-2-39071,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5)n34)n2)cc1,MPWRDIADXBXBRI-UHFFFAOYSA-N,2,1,0.592,34,929,416.391,4.106,5,0.429,0.81,1.0,0.8595281337810979,0.9075885820026044,0.8332105407442945,0.8543794119662805,0.8636766671235693
EOS-2-39072,Fc1cccc(-c2nnc3cncc(OCc4nccc(-c5ccccc5F)n4)n23)c1,VHBWIFDGJHQMBJ-UHFFFAOYSA-N,2,1,0.536,57,210,416.391,4.106,5,0.429,0.76,1.0,0.8162051949832089,0.8311801795627441,0.7540864231375506,0.7942995682269892,0.7989428414776232
EOS-2-39073,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)nc4)n23)cc1,YJIYMTOMVSDCCQ-UHFFFAOYSA-N,2,1,0.62,97,232,416.391,4.106,5,0.402,0.81,1.0,0.9662120485230622,0.8912343225275855,0.8809197450483175,0.8643427455280652,0.9006772154067576
EOS-2-39074,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)c1,OWEBDPVHAXDLKB-UHFFFAOYSA-N,2,1,0.6,43,613,416.391,4.106,5,0.429,0.76,1.0,0.8707936399150161,0.8416146939894456,0.8542166403947639,0.8543879788910973,0.8552532382975808
EOS-2-39075,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1F,AYEKTDGMMQVCHA-UHFFFAOYSA-N,2,1,0.561,43,178,416.391,4.106,5,0.429,0.75,1.0,0.9533702282228771,0.9157614282777055,0.8985933109451032,0.8850747035844013,0.9131999177575217
EOS-2-39076,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ccccn5)n34)cc2)cn1,YGVDPNLLIWJZSD-UHFFFAOYSA-N,2,1,0.383,38,680,416.391,4.517,5,0.419,0.86,1.0,0.5086183263655678,0.634646357343568,0.9008292783222535,0.8751713384963333,0.7298163251319307
EOS-2-39077,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)c1,JVGXMJKKVJWEDW-UHFFFAOYSA-N,2,1,0.638,97,850,416.391,4.106,5,0.429,0.75,1.0,0.791960797752039,0.7667654718662189,0.8413405523953121,0.8380337194160784,0.8095251353574121
EOS-2-39078,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)cc1,CQGUIKJEVYFXAU-UHFFFAOYSA-N,2,1,0.556,97,959,416.391,4.106,5,0.402,0.81,1.0,0.8618754711808649,0.740405044205332,0.8794805016791173,0.8738777328490165,0.8389096874785826
EOS-2-39079,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1,HINIAZURIATZOI-UHFFFAOYSA-N,2,1,0.507,9,558,416.391,4.517,5,0.419,0.81,1.0,0.5060396819957508,0.6296261394010007,0.947313412377493,0.9349941744911247,0.7544933520663423
EOS-2-39080,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccccc5F)n4)n23)cc1,VYJYDDDZLDODFL-UHFFFAOYSA-N,2,1,0.57,57,210,416.391,4.106,5,0.429,0.8,1.0,0.9512713316427935,0.9418819820437255,0.7726509492152697,0.8072099239257077,0.8682535467068742
EOS-2-39081,COc1nc(-c2nnc3cncc(-c4cccc(F)c4)n23)ccc1-c1ccc(F)cn1,XJORPRSAUQFMOD-UHFFFAOYSA-N,2,1,0.321,96,46,416.391,4.202,5,0.437,0.73,1.0,0.5160115824823521,0.5968919196765129,0.7394798163251319,0.745356726749366,0.6494350113083407
EOS-2-39082,COc1cc(-c2nnc3cncc(-c4ccc(F)cc4F)n23)ccc1-c1cncnc1,GTPDITXIZQPPNU-UHFFFAOYSA-N,2,1,0.354,96,46,416.391,4.202,5,0.437,0.7,1.0,0.5212802412446028,0.5922058118017957,0.9178089233088891,0.8960660681241861,0.7318402611198683
EOS-2-39083,FC(F)Oc1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,SRWSYRULTUOGBG-UHFFFAOYSA-N,2,1,0.453,96,50,416.391,4.517,5,0.419,0.81,1.0,0.4910218627921321,0.6346549242683847,0.927737989171407,0.9103299979439381,0.7409361935439654
EOS-2-39084,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1F,FSLXQCGKUUARJT-UHFFFAOYSA-N,2,1,0.575,97,178,416.391,4.106,5,0.429,0.76,1.0,0.9496350490028099,0.8912428894524022,0.92523644712494,0.9103385648687548,0.9191132376122267
EOS-2-39085,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)nc1,UPLKYRLPJJDASH-UHFFFAOYSA-N,2,1,0.59,1,22,416.391,4.106,5,0.429,0.78,1.0,0.7891251456377218,0.804545610307724,0.8428740319374958,0.8318912343225275,0.8171090055513672
EOS-2-39086,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1F,FJFDYWJLZGSKSE-UHFFFAOYSA-N,2,1,0.736,43,433,416.391,4.106,5,0.429,0.75,1.0,0.9687649921184291,0.9445120279624426,0.9063635117538208,0.8918340072647523,0.9278686347748611
EOS-2-39087,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)cc1F,QSHRSVZKGSIBOP-UHFFFAOYSA-N,2,1,0.675,43,433,416.391,4.106,5,0.429,0.79,1.0,0.9096960455075046,0.8722842848331163,0.8986018778699199,0.8877818518264684,0.8920910150092523
EOS-2-39088,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)cc1,JSSWJCOLIQVVQW-UHFFFAOYSA-N,2,1,0.556,97,801,416.391,4.106,5,0.429,0.8,1.0,0.8618840381056816,0.8276077719141937,0.8702539236515661,0.8708878760879994,0.8576584024398601
EOS-2-39089,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)c1,QLADXCMDAJXHCG-UHFFFAOYSA-N,2,1,0.494,97,89,416.391,4.106,5,0.429,0.81,1.0,0.8845606880954012,0.8002021794256734,0.8585686382016311,0.8627321636625317,0.8515159173463094
EOS-2-39090,Fc1cccc(F)c1COc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,JZEJXYWONXJNNV-UHFFFAOYSA-N,2,1,0.524,97,332,416.391,4.106,5,0.429,0.74,1.0,0.8595367007059146,0.7708775957782195,0.8756853539853334,0.8675724761839491,0.8434180316633542
EOS-2-39091,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1F,OHXLHXDQADRVFY-UHFFFAOYSA-N,2,1,0.618,59,529,416.391,4.106,5,0.429,0.76,1.0,0.884569255020218,0.7792646151737372,0.8914227948735521,0.8808255088753341,0.8590205434857103
EOS-2-39092,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)nc2)cc1,JDVOCSYOCIYQFB-UHFFFAOYSA-N,2,1,0.461,1,31,416.391,4.106,5,0.402,0.83,1.0,0.6573744088821877,0.6783976423822905,0.8169419505174422,0.8259200877253101,0.7446585223768076
EOS-2-39093,Fc1cccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nn5)c4)n23)c1,LDYZGCPYBXPGLR-UHFFFAOYSA-N,2,1,0.554,43,613,416.391,4.106,5,0.429,0.75,1.0,0.8412891508464122,0.8198804057295593,0.8512353505585635,0.8528373654992804,0.8413105681584538
EOS-2-39094,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)c1F,NFABZWASPDMMRT-UHFFFAOYSA-N,2,1,0.461,44,692,416.391,4.106,5,0.429,0.69,1.0,0.70014906449181,0.5922143787266123,0.852743129326297,0.8456325817284628,0.7476847885682956
EOS-2-39095,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)cn4)n23)nc1,QFXUSDVISDIAHZ-UHFFFAOYSA-N,2,1,0.494,34,162,416.391,4.106,5,0.429,0.79,1.0,0.6607412103351381,0.6734802275375231,0.8258515523267768,0.8380422863408951,0.7495288191350833
EOS-2-39096,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nn5)c4)n23)cc1,JHNGZVBXQWRYAM-UHFFFAOYSA-N,2,1,0.649,43,613,416.391,4.106,5,0.429,0.76,1.0,0.9650469467479953,0.9403399355767253,0.8632633130011651,0.8612243848947981,0.907468645055171
EOS-2-39097,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)cc1,GUHMOECZABMUCA-UHFFFAOYSA-N,2,1,0.625,97,183,416.391,4.106,5,0.402,0.83,1.0,0.9001610581865533,0.8161537934343088,0.8868566239462683,0.87517990542115,0.86958784524707
EOS-2-39098,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)c(F)c4)n23)nc1,GOLYWYQBGWEEJI-UHFFFAOYSA-N,2,1,0.658,97,71,416.391,4.106,5,0.429,0.79,1.0,0.7546090055513672,0.7836851483791378,0.8730124734425331,0.8675810431087657,0.819721917620451
EOS-2-39099,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)n23)cc1F,HANYTKNCXMFTRW-UHFFFAOYSA-N,2,1,0.598,97,436,416.391,4.106,5,0.429,0.73,1.0,0.855013364402714,0.8695171681173326,0.8476543759851963,0.8359262559111781,0.8520277911041053
EOS-2-39100,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)nc1,BVCZCFWDVZFVGY-UHFFFAOYSA-N,2,1,0.58,1,666,416.391,4.106,5,0.429,0.77,1.0,0.6336354602152011,0.6543759851963539,0.8332191076691111,0.8259286546501268,0.7367898019326983
EOS-2-39101,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cc1F,DEVACMLSGFJHAH-UHFFFAOYSA-N,2,1,0.618,19,691,416.391,4.106,5,0.429,0.82,0.998,0.9067147556713042,0.8045541772325406,0.8278819135083271,0.8456411486532794,0.8461979987663628
EOS-2-39102,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccn5)n34)c2)nc1F,TWWRUIASDOJBRY-UHFFFAOYSA-N,2,1,0.642,1,666,416.391,4.106,5,0.402,0.75,1.0,0.6224299225549996,0.6882581728462751,0.8151857309300253,0.7896648619011719,0.728884672058118
EOS-2-39103,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccnnc5)c4)n23)c(F)c1,SUIKVUCQZBSKQS-UHFFFAOYSA-N,2,1,0.566,43,146,416.391,4.106,5,0.429,0.8,1.0,0.8506699335206634,0.9116493043657049,0.9121204852306216,0.9080083613186211,0.8956120211089027
EOS-2-39104,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)cc1F,KBOWUXBNUOZPMY-UHFFFAOYSA-N,2,1,0.593,43,433,416.391,4.106,5,0.429,0.77,1.0,0.9426787060516757,0.9331351518059078,0.8975995476663697,0.8891611267219519,0.9156436330614763
EOS-2-39105,COc1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5F)cc4F)n23)cn1,JGUQFLDQADMUKC-UHFFFAOYSA-N,2,1,0.359,96,46,416.391,4.202,5,0.437,0.8,1.0,0.5343448015900213,0.6491158933589198,0.8495305325200466,0.8259372215749434,0.7147321122609828
EOS-2-39106,Fc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(F)c5)c4)n23)cc1,DKFICHCIZBPPLB-UHFFFAOYSA-N,2,1,0.62,97,232,416.391,4.106,5,0.402,0.75,1.0,0.9656723322596121,0.9212613940100062,0.8857514906449181,0.8738862997738331,0.9116428791720923
EOS-2-39107,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1F,RRWZKWHUFBNWJL-UHFFFAOYSA-N,2,1,0.667,59,294,416.391,4.106,5,0.429,0.77,1.0,0.9262387773284901,0.8912514563772188,0.8951237063943527,0.8793348639572339,0.8979872010143238
EOS-2-39108,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)nc1,BMMKMMNXBBEITD-UHFFFAOYSA-N,2,1,0.646,97,850,416.391,4.106,5,0.429,0.79,1.0,0.8189123432252758,0.7879000753889384,0.8381365225138784,0.8300065108628607,0.8187388629977383
EOS-2-39109,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)c1,KQSIVVCPZHZZLH-UHFFFAOYSA-N,2,1,0.548,97,801,416.391,4.106,5,0.429,0.81,1.0,0.7122027277088616,0.7749725858405867,0.8332276745939278,0.8438163936673292,0.7910548454526763
EOS-2-39110,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c2)nc1,SOSHAOZRHYHMRJ-UHFFFAOYSA-N,2,1,0.506,97,666,416.391,4.106,5,0.402,0.71,1.0,0.8825645946131176,0.7356675347817148,0.8702624905763827,0.854396545815914,0.8357227914467822
EOS-2-39111,N=c1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ncn2)c[nH]1,JXEXJNHGLPXSJM-UHFFFAOYSA-N,2,1,0.394,46,395,416.38,1.564,5,0.411,0.64,0.811,0.5419179631279556,0.3177900760742924,0.3162223288328422,0.2386916592419985,0.35365550681927216
EOS-2-39112,Fc1cnc(-c2cnc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)nc1,AYIWWOUWBRHNRU-UHFFFAOYSA-N,2,1,0.407,65,116,416.38,1.589,5,0.402,0.57,0.998,0.6281012267836338,0.5489000068535399,0.05995133986704133,0.06936639024055925,0.3265797409361936
EOS-2-39113,Cc1ncc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cn1,AMFOTIVHWXILKJ-UHFFFAOYSA-N,2,1,0.418,51,48,416.38,1.855,5,0.418,0.6,1.0,0.5971574943458297,0.534738880131588,0.08839353025837846,0.0770423548762936,0.32433306490302244
EOS-2-39114,Cn1nc(-c2cncc(F)c2)cc1-c1cncc2nnc(-c3ccc([N+](=O)[O-])cc3)n12,KVAPYLDOVRFADY-UHFFFAOYSA-N,2,1,0.462,96,216,416.376,3.301,5,0.326,0.83,0.997,0.13360119251593447,0.11831779864299911,0.4120605167569049,0.25915804262901787,0.2307843876362141
EOS-2-39115,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)cn1,JXOJDKWULRJISN-UHFFFAOYSA-N,2,1,0.432,55,434,416.376,2.978,5,0.399,0.72,1.0,0.7488263313001166,0.7171115756288123,0.46672606401206224,0.31392639298197517,0.5616475909807416
EOS-2-39116,Oc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nn4)n23)n1,PENGODZZNXAWRL-UHFFFAOYSA-N,2,1,0.415,54,670,416.376,2.462,5,0.43,0.62,0.746,0.5160201494071688,0.462708176273045,0.34554691248029606,0.30449420875882394,0.4071923617298334
EOS-2-39117,COc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F,LPDJOAJRUXNRTA-UHFFFAOYSA-N,2,1,0.803,48,444,416.359,4.119,4,0.451,0.83,1.0,0.9943715303954492,0.9842711260365979,0.9781372078678637,0.9449746419025427,0.9754386265506134
EOS-2-39118,O=[N+]([O-])c1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)o1,BVONBWZHHWFCRN-UHFFFAOYSA-N,2,1,0.456,46,122,416.357,2.724,5,0.299,0.69,1.0,0.3614471249400315,0.06550270714824206,0.0660252895620588,0.021871359056952915,0.12871162017682133
EOS-2-39119,Clc1cccc(-c2nnc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)o2)c1,LRQATEUSFDWGOR-UHFFFAOYSA-N,2,1,0.562,34,372,483.713,4.836,5,0.353,0.82,1.0,0.7807295593173874,0.9194023713247893,0.5759286546501268,0.6911537934343088,0.7418035946816531
EOS-2-39120,COc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,HCPCCVXWIKEEQO-UHFFFAOYSA-N,2,1,0.6,90,281,416.268,4.123,4,0.44,0.76,1.0,0.8845778219450346,0.8609074086765814,0.7966297717771229,0.8008446987869234,0.8357399252964156
EOS-2-39121,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1Cl,PKDPRSRBEZAELD-UHFFFAOYSA-N,2,1,0.628,90,636,416.268,3.607,4,0.484,0.76,1.0,0.9049328353094374,0.9315245699403742,0.8646939894455486,0.882221917620451,0.8958433280789528
EOS-2-39122,Clc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1,BPGRLBRDRSXGKU-UHFFFAOYSA-N,2,1,0.575,97,992,483.746,5.788,5,0.295,0.73,1.0,0.8807998081008841,0.9299139880748406,0.8997070111712699,0.9433297923377424,0.9134376499211843
EOS-2-39123,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cc(Cl)cc(Cl)c5)cn4)n23)cc1,BXAPHHVELQMNJX-UHFFFAOYSA-N,2,1,0.595,34,929,483.746,5.788,5,0.315,0.75,1.0,0.8269652525529436,0.9608320197381948,0.9092334315674045,0.9520509218011103,0.9122704064149133
EOS-2-39124,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5Cl)n34)c2)nn1,CBWPXFBRWAWTLI-UHFFFAOYSA-N,2,1,0.529,43,613,483.746,5.788,5,0.315,0.76,1.0,0.7780738126242204,0.9116578712905216,0.9287403193749572,0.9571739428414776,0.8939114865327942
EOS-2-39125,COc1cc(-c2ncc(Cl)cn2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,DCQCIEHHIJFFKH-UHFFFAOYSA-N,2,1,0.411,45,46,483.746,5.884,5,0.317,0.74,1.0,0.5035552737989172,0.592222945651429,0.9020029470221369,0.9323384277979576,0.7325298985676101
EOS-2-39126,Clc1cccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)c(Cl)c5)c4)n23)n1,HQFRROGMDWPVFL-UHFFFAOYSA-N,2,1,0.5,59,137,483.746,5.788,5,0.295,0.8,1.0,0.639675142210952,0.787908642313755,0.9303766020149408,0.9589472962785278,0.8292269207045438
EOS-2-39127,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)c(Cl)cn5)n34)c2)cc1,KEBVXVCFZQXDFJ-UHFFFAOYSA-N,2,1,0.5,59,137,483.746,5.788,5,0.315,0.73,1.0,0.6792286340895072,0.8121359056952916,0.9361250085669248,0.9653639229662121,0.8482133678294839
EOS-2-39128,Clc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)n1,VBTYAANLCDIBCM-UHFFFAOYSA-N,2,1,0.58,59,89,483.746,5.788,5,0.295,0.82,1.0,0.9324412308957577,0.962502570077445,0.9178174902337057,0.9465509560688096,0.9398280618189295
EOS-2-39129,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)cn4)n23)c(Cl)c1,PTRVIEXGVUYZGS-UHFFFAOYSA-N,2,1,0.553,34,436,483.746,5.788,5,0.295,0.7,1.0,0.7428466177780824,0.9331437187307244,0.9008378452470701,0.9417106435473922,0.8796347063258173
EOS-2-39130,Clc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5Cl)n34)cn2)c1,SFBHADATQUYRLS-UHFFFAOYSA-N,2,1,0.494,97,992,483.746,5.788,5,0.295,0.71,1.0,0.8242923720101433,0.8984905078473031,0.8937786991981358,0.9383952436433418,0.888739205674731
EOS-2-39131,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5Cl)nn4)n23)cc1,IQUUQUHCTDZWOR-UHFFFAOYSA-N,2,1,0.575,34,372,483.746,5.788,5,0.315,0.8,1.0,0.8954663833870194,0.9658950723048455,0.9083681721609211,0.9545867315468439,0.9310790898499075
EOS-2-39132,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(Cl)c5Cl)n4)n23)cc1,AUZDUDHQYFQQRU-UHFFFAOYSA-N,2,1,0.568,34,929,483.746,5.788,5,0.315,0.77,1.0,0.8708022068398328,0.9615602083476116,0.9121290521554383,0.955280652456994,0.9249430299499691
EOS-2-39133,COc1cncc(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)c(OC(F)F)c5)n34)n2)n1,QCEQOKQCDGHOEA-UHFFFAOYSA-N,2,1,0.385,50,243,483.826,3.364,5,0.354,0.66,0.998,0.754617572476184,0.8515608937015968,0.6164502090329655,0.6031286409430471,0.7064393290384483
EOS-2-39134,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nn5)nn4)n23)cc1,IUZMNYBQBDXWEF-UHFFFAOYSA-N,2,1,0.617,36,996,483.826,3.267,5,0.34,0.76,1.0,0.7636128435336852,0.90055513672812,0.5391251456377218,0.569580563360976,0.6932184223151258
EOS-2-39135,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(Cl)cn5)nn4)n23)cc1,MUACIUVYSUHXIC-UHFFFAOYSA-N,2,1,0.63,27,82,483.826,3.267,5,0.34,0.72,1.0,0.7122112946336783,0.8884672058118018,0.48063874991433075,0.5200294702213694,0.650336680145295
EOS-2-39136,FC(F)Oc1ccnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cn1,YCNZGFKLLBQHAG-UHFFFAOYSA-N,2,1,0.442,51,196,483.826,3.267,5,0.34,0.65,0.978,0.8269738194777603,0.838145089438695,0.5526694537728737,0.5400846412171887,0.6894682509766294
EOS-2-39137,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cccc(OC(F)F)c5)nc4)n23)cc1Cl,VBVGBYYZQKMREW-UHFFFAOYSA-N,2,1,0.684,57,15,483.837,6.04,5,0.293,0.81,1.0,0.9764409567541635,0.9801504351997807,0.9858560071276814,0.985453361661298,0.981975190185731
EOS-2-39138,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)cc5)nc4)n23)cc1Cl,OKMMHRJBWYBRJB-UHFFFAOYSA-N,2,1,0.767,57,15,483.837,6.04,5,0.293,0.82,1.0,0.9800476321019806,0.9842796929614146,0.9867126996093483,0.9863100541429648,0.9843375197039271
EOS-2-39139,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1cnc(F)c(F)c1,WKQRLACOMYCYDO-UHFFFAOYSA-N,2,1,0.602,13,209,483.837,5.725,5,0.297,0.67,1.0,0.9752844219039134,0.934677198272908,0.982155095606881,0.9770320745665136,0.967287197587554
EOS-2-39140,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)cc1Cl,GJOKFLMYYWEXKT-UHFFFAOYSA-N,2,1,0.654,57,417,483.837,6.04,5,0.293,0.83,1.0,0.9804160098690974,0.9915872798300323,0.9877921321362484,0.9860187786991982,0.986453550133644
EOS-2-39141,O=c1[nH]cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1ccc(Cl)c(F)c1,KBWRMRCFLKFOHX-UHFFFAOYSA-N,2,1,0.617,57,13,483.837,4.796,5,0.388,0.72,1.0,0.8340672332259612,0.8121444726201082,0.9818723870879309,0.9857446371050648,0.9034571825097663
EOS-2-39142,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c(F)c2)c(F)n1,IZQJFXZVSUPMER-UHFFFAOYSA-N,2,1,0.489,37,919,483.841,4.336,5,0.332,0.62,1.0,0.9335292303474745,0.9531731889520938,0.8495390994448633,0.8723528202316496,0.9021485847440203
EOS-2-39143,Fc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc1,BSQODIKKGQFHIU-UHFFFAOYSA-N,2,1,0.483,27,343,483.841,4.952,5,0.315,0.64,1.0,0.8506785004454801,0.940348502501542,0.886865190871085,0.885083270509218,0.8907438660818313
EOS-2-39144,Fc1ncc(-c2cc(F)c(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)cn1,PWBYBBWZUXBGNI-UHFFFAOYSA-N,2,1,0.553,37,919,483.841,4.336,5,0.262,0.58,1.0,0.9345058597765746,0.9561716126379275,0.9149647042697553,0.9125573983962717,0.9295498937701322
EOS-2-39145,Fc1ccc(-c2ncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)cc1F,CUVVXCXOSBHWCU-UHFFFAOYSA-N,2,1,0.533,88,132,483.841,4.336,5,0.355,0.67,1.0,0.9156243574806388,0.9467565622644095,0.8332362415187444,0.8765249126173669,0.89303551847029
EOS-2-39146,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)c5)nn4)n23)cc1,SGACBWZZKDLICQ-UHFFFAOYSA-N,2,1,0.571,43,138,483.841,4.895,5,0.351,0.84,1.0,0.8458381879240627,0.937564251936125,0.9608491535878281,0.9465595229936262,0.9227027791104105
EOS-2-39147,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)c(F)c5)n34)cn2)cn1,DQYROTSXFKJWFT-UHFFFAOYSA-N,2,1,0.605,84,360,483.841,4.336,5,0.332,0.65,1.0,0.9687735590432458,0.9721403604961962,0.9030995133986705,0.8999297512165033,0.935985796038654
EOS-2-39148,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(Cl)c5)c4)n23)cn1,YLXFFSSQOMRRND-UHFFFAOYSA-N,2,1,0.528,27,430,483.841,4.895,5,0.328,0.73,1.0,0.9156329244054554,0.9285261462545404,0.9757470358440135,0.9457285312864094,0.9414086594476048
EOS-2-39149,FC(F)(F)c1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)cn1,INENLUINTCAAPH-UHFFFAOYSA-N,2,1,0.472,27,183,483.841,4.895,5,0.328,0.72,1.0,0.8899921184291687,0.9055496538962374,0.9722003289699129,0.9358080323487081,0.9258875334110068
EOS-2-39150,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)cn1,LQFXGZLIQNFBPQ-UHFFFAOYSA-N,2,1,0.478,27,207,483.841,4.895,5,0.351,0.72,1.0,0.7948135837159893,0.7922006716469057,0.9685079843739292,0.9449832088273593,0.8751263621410459
EOS-2-39151,Fc1cc(CCOc2cncc3nnc(-c4cnnc(-c5cncc(F)c5F)c4)n23)ccc1Cl,SOFCJYKGCBZMBM-UHFFFAOYSA-N,2,1,0.632,84,360,483.841,4.336,5,0.355,0.6,1.0,0.9405969433212255,0.9315331368651909,0.9295627441573573,0.9384038105681585,0.9350241587279831
EOS-2-39152,Fc1ccc(-c2cc(F)c(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)nc2F)cc1,QQNMGNCZKIOIKS-UHFFFAOYSA-N,2,1,0.446,88,141,483.841,4.336,5,0.332,0.57,0.995,0.8708107737646494,0.8751713384963333,0.7632615996162018,0.8339387293537112,0.8357956103077239
EOS-2-39153,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)ccn2)cc1F,NFSKHXODYAUCBR-UHFFFAOYSA-N,2,1,0.511,88,795,483.841,4.336,5,0.332,0.65,1.0,0.9505003084092934,0.9375728188609417,0.8184839969844425,0.8595452676307312,0.8915255979713522
EOS-2-39154,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2F)cnc1F,ORPJQIIYUMKQJP-UHFFFAOYSA-N,2,1,0.423,18,429,483.841,4.336,5,0.332,0.66,1.0,0.9168322938797889,0.9136025632239051,0.8809283119731341,0.8904375985196354,0.900450191899116
EOS-2-39155,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)nc1,ORFMIHXJQGSIPH-UHFFFAOYSA-N,2,1,0.545,27,676,483.841,4.895,5,0.328,0.77,1.0,0.7976492358303063,0.8912600233020355,0.9736995408128298,0.9433383592625592,0.9014867898019326
EOS-2-39156,FCc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)ccc1F,FEFXSLFSTLENLG-UHFFFAOYSA-N,2,1,0.427,59,379,483.841,4.623,5,0.325,0.69,1.0,0.9035449934891372,0.9157699952025221,0.8512439174833801,0.8578575834418477,0.8821041224042219
EOS-2-39157,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)cn5)nn4)n23)cc1,IADZNFCCJNAUOA-UHFFFAOYSA-N,2,1,0.494,1,676,483.841,4.895,5,0.351,0.78,1.0,0.9387036529367419,0.9418905489685423,0.9661006785004455,0.944991775752176,0.9479216640394763
EOS-2-39158,FC(F)(F)c1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)ccc1Cl,ZRGIVPJWNCVBMP-UHFFFAOYSA-N,2,1,0.511,27,343,483.841,4.895,5,0.351,0.8,1.0,0.90016962511137,0.9571311082173943,0.9733225961208964,0.9479816325131931,0.9446512404907135
EOS-2-39159,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ncncn5)c(Cl)c4)n23)cc1,LFVCBWSUIQOOPO-UHFFFAOYSA-N,2,1,0.566,43,138,483.841,4.895,5,0.351,0.74,1.0,0.9818466863134809,0.9687307244191625,0.9848536769241313,0.9683880474264958,0.9759547837708176
EOS-2-39160,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)nc2F)nc1,ZSPRZPFDSYNYLH-UHFFFAOYSA-N,2,1,0.463,88,665,483.841,4.336,5,0.332,0.64,1.0,0.9127972722911384,0.9267356589678569,0.8113563155369748,0.8492735247755465,0.8750406928928791
EOS-2-39161,Fc1ccc(Cl)nc1-c1ncccc1-c1nnc2cncc(OCc3ccc(C(F)F)nc3)n12,VHGNPYDFKRKJNA-UHFFFAOYSA-N,2,1,0.495,27,430,483.841,4.952,5,0.315,0.59,0.703,0.8137122198615585,0.8858200260434514,0.8822047837708177,0.8627407305873483,0.861119440065794
EOS-2-39162,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4nccc(-c5ccc(Cl)nc5)n4)n23)cc1,OHUJDLDXAFZOQH-UHFFFAOYSA-N,2,1,0.483,27,679,483.841,4.895,5,0.328,0.78,1.0,0.9512798985676102,0.9488468919196765,0.9676170241929957,0.9409995887876088,0.9521858508669727
EOS-2-39163,FCc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2F)cn1,JRPJQKQOIKLQFC-UHFFFAOYSA-N,2,1,0.506,73,716,483.841,4.623,5,0.348,0.67,1.0,0.9222894249880063,0.917526214789939,0.8413491193201289,0.8544051127407306,0.8838924679597011
EOS-2-39164,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1F,NJSWTCYYVFORTR-UHFFFAOYSA-N,2,1,0.543,84,360,483.841,4.336,5,0.332,0.62,0.999,0.9565314234802276,0.9732454937975464,0.8914313617983689,0.89993831814132,0.9302866493043658
EOS-2-39165,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5Cl)nn4)n23)cn1,FRDZPYLBXVOXGS-UHFFFAOYSA-N,2,1,0.54,27,679,483.841,4.895,5,0.351,0.77,1.0,0.8618926050304982,0.9136111301487219,0.9502775683640601,0.9201990953327394,0.9114950997190049
EOS-2-39166,Fc1cnc(-c2ncc(F)cc2-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)nc1,LMBSRGXCBOJDJU-UHFFFAOYSA-N,2,1,0.642,73,166,483.841,4.336,5,0.355,0.61,1.0,0.9581334384209444,0.941899115893359,0.8091203481598246,0.8578661503666644,0.8917547632101981
EOS-2-39167,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)cn4)n23)cn1,VFUPMZKRAHSYAR-UHFFFAOYSA-N,2,1,0.561,27,69,483.841,4.895,5,0.328,0.78,1.0,0.8111507093413748,0.919410938249606,0.9697587553971626,0.9316016722637243,0.9079805188129669
EOS-2-39168,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)cn1,ZXLZZNZWOBOMHY-UHFFFAOYSA-N,2,1,0.523,27,430,483.841,4.895,5,0.328,0.79,1.0,0.9168408608046056,0.9249965732300733,0.9697673223219793,0.9295627441573573,0.9352918751285039
EOS-2-39169,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2F)cnc1F,GVDZKWBOMVFONJ-UHFFFAOYSA-N,2,1,0.439,37,814,483.841,4.336,5,0.332,0.66,0.995,0.8900006853539854,0.8884757727366185,0.8542252073195805,0.8675896100335824,0.8750728188609417
EOS-2-39170,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(Cl)ccn5)cn4)n23)cn1,QKXIOJCSGKGJOY-UHFFFAOYSA-N,2,1,0.548,27,69,483.841,4.895,5,0.351,0.74,1.0,0.8640600370091152,0.9175347817147557,0.9629823178671784,0.92436262079364,0.9172349393461723
EOS-2-39171,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)c5)cn4)n23)ccc1C(F)F,QZIORTKWUWXOPX-UHFFFAOYSA-N,2,1,0.467,27,343,483.841,4.952,5,0.337,0.67,1.0,0.8640686039339319,0.9231032828455897,0.9467394284147762,0.9375471180864917,0.9178646083201973
EOS-2-39172,COc1nc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)ccc1-c1noc(C)n1,CFBQYSHICFVZNP-UHFFFAOYSA-N,2,1,0.386,31,896,483.851,2.757,5,0.315,0.52,0.999,0.5767596463573436,0.48024467137276405,0.050621958741690086,0.04999657323007333,0.28940571242546775
EOS-2-39173,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,NSMOIXIRKLJCSK-UHFFFAOYSA-N,2,1,0.718,1,640,483.862,5.589,5,0.298,0.77,1.0,0.9470564046329929,0.92500514015489,0.9042303474744706,0.8945582893564527,0.9177125454047015
EOS-2-39174,Cn1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)c1Cl,ALEWQKJRDSUKPT-UHFFFAOYSA-N,2,1,0.63,16,996,483.866,4.421,5,0.338,0.7,1.0,0.6882239051470084,0.8239068603933932,0.9111866904256049,0.8765334795421835,0.8249627338770475
EOS-2-39175,COc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)cc2F)n[nH]1,WIFLFIDZOWRTBB-UHFFFAOYSA-N,2,1,0.544,88,70,483.866,4.138,5,0.371,0.52,1.0,0.9018487423754369,0.8485796038653964,0.7657888424371188,0.7582585155232677,0.818618926050305
EOS-2-39176,Cn1nc(-c2cccc(Cl)c2)nc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,VRHKRVJASVHDLO-UHFFFAOYSA-N,2,1,0.634,43,996,483.866,4.421,5,0.338,0.77,1.0,0.6639195394421219,0.8638458638886986,0.6930299499691591,0.7321807963813309,0.7382440374203276
EOS-2-39177,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ccc(OC(F)F)cc1,SEAARLDPNSCOBA-UHFFFAOYSA-N,2,1,0.58,95,965,483.866,4.421,5,0.338,0.74,0.991,0.45912720169967786,0.6441470769652525,0.834821122609828,0.8179614145706258,0.689014203961346
EOS-2-39178,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3cc(Cl)ccc3OC(F)F)n12,YFAYEPFEDIILHH-UHFFFAOYSA-N,2,1,0.375,61,697,483.866,4.517,5,0.35,0.8,1.0,0.4106983757110548,0.5626756219587417,0.8675296415598657,0.8259457884997601,0.6667123569323555
EOS-2-39179,Oc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cncn1C(F)F,MPQXUVKSVWROMC-UHFFFAOYSA-N,2,1,0.484,26,626,483.866,4.425,5,0.342,0.52,1.0,0.8412977177712289,0.7792731820985539,0.8937872661229525,0.8544136796655473,0.8421929614145707
EOS-2-39180,Cn1ncn(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c(Cl)c2)c1=O,ZYFCIBHJAWLPCD-UHFFFAOYSA-N,2,1,0.494,43,51,483.866,3.846,5,0.364,0.67,1.0,0.6762216434788568,0.587451168528545,0.8428825988623124,0.8400555136728121,0.7366527311356317
EOS-2-39181,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3OC(F)F)n12,XCHYMCJIMMFNAW-UHFFFAOYSA-N,2,1,0.371,61,697,483.866,4.517,5,0.35,0.72,1.0,0.4474590500993763,0.6346634911932013,0.8702710575011994,0.827856212733877,0.6950624528819135
EOS-2-39182,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cnn(C(F)F)c1,AKINJHBGPMNJAP-UHFFFAOYSA-N,2,1,0.468,16,83,483.866,4.686,5,0.31,0.56,1.0,0.6762302104036735,0.7450140497566994,0.9111952573504215,0.8339472962785278,0.7915967034473306
EOS-2-39183,CN=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cc2F)o1,RWJUIIGVURVWMS-UHFFFAOYSA-N,2,1,0.551,88,803,483.866,3.858,5,0.393,0.42,0.835,0.8217308614899596,0.7262353505585635,0.7241450209032966,0.7239565485573298,0.7490169453772872
EOS-2-39184,FC(F)Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cnn2)cn1,HDPMXRLCRYYPHD-UHFFFAOYSA-N,2,1,0.46,92,778,483.87,3.38,5,0.33,0.55,1.0,0.4357566307998081,0.4889315331368652,0.5391337125625385,0.5597628675210746,0.5058961860050716
EOS-2-39185,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nc1C(F)F,KEEYBJVYVKMLKK-UHFFFAOYSA-N,2,1,0.521,58,578,483.87,3.589,5,0.323,0.66,1.0,0.6396837091357687,0.707962099924611,0.36079603865396476,0.3548762936056473,0.515829535329998
EOS-2-39186,FCCn1nncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccn1,ZYLKIKWNJRVEML-UHFFFAOYSA-N,2,1,0.469,65,265,483.87,3.223,5,0.331,0.63,1.0,0.44287574532245905,0.4627167431978617,0.31623089575765884,0.41560722363100544,0.4093576519772463
EOS-2-39187,CC(F)(F)n1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,IYIUDTWKGKPZNH-UHFFFAOYSA-N,2,1,0.553,15,447,483.87,3.684,5,0.322,0.65,1.0,0.7122198615584949,0.8082550887533411,0.5979285175793297,0.520038037146186,0.6596103762593379
EOS-2-39188,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cc1F,CVDICOWSNLVZOG-UHFFFAOYSA-N,2,1,0.474,37,908,483.87,3.413,5,0.324,0.62,1.0,0.7278373654992804,0.7537180453704339,0.2871204852306216,0.3682149955451991,0.5342227229113837
EOS-2-39189,Clc1cccc(-c2ncc(-c3nnc4cncc(OCc5ncc(-c6cccnn6)o5)n34)cn2)c1,RJWYQMHSONVIMO-UHFFFAOYSA-N,2,1,0.527,6,247,483.879,3.926,6,0.343,0.63,1.0,0.4663062846960455,0.5969004866013295,0.30150435199780684,0.3518521691453636,0.42914082311013635
EOS-2-39190,Clc1cnc(-c2nnco2)nc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,BKIXWGHCDFMODV-UHFFFAOYSA-N,2,1,0.484,81,120,483.879,3.926,6,0.343,0.71,1.0,0.6544273867452539,0.6980844356109931,0.22887396340209717,0.29192653005277225,0.46832807895277906
EOS-2-39191,Clc1ccc(-c2ccnnc2COc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)cn1,KEPKUTWGVCXZFU-UHFFFAOYSA-N,2,1,0.423,6,280,483.879,3.926,6,0.321,0.58,1.0,0.5547169488040573,0.6061527654033309,0.4455143581659927,0.4440237132478925,0.5126019464053183
EOS-2-39192,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)cc1-c1ccccn1,IGOOQSFMKCTRJB-UHFFFAOYSA-N,2,1,0.505,6,218,483.879,3.926,6,0.343,0.63,1.0,0.5943304091563293,0.7493146460146666,0.372164347885683,0.41875985196353915,0.5336423137550546
EOS-2-39193,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cc2)nn1,NUYBHVYWWXPLGF-UHFFFAOYSA-N,2,1,0.479,81,609,483.879,3.926,6,0.343,0.65,1.0,0.5854893427455281,0.5824309505859776,0.3570437255842643,0.36822356247001575,0.4732968953464465
EOS-2-39194,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)nc2)nn1,BXXNWPCDNHBLTQ-UHFFFAOYSA-N,2,1,0.433,81,323,483.879,3.926,6,0.343,0.7,0.993,0.6196970735384826,0.5439483243095059,0.4489582619422932,0.44085395106572545,0.5133644027140019
EOS-2-39195,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)o2)cc1,POXDYKBLIICTMU-UHFFFAOYSA-N,2,1,0.456,6,355,483.879,3.926,6,0.343,0.68,1.0,0.5497995339592899,0.7537266122952505,0.3051452950448907,0.35824309505859775,0.49172863408950723
EOS-2-39196,Clc1cncnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cn1,UNARJMFROIXSQQ-UHFFFAOYSA-N,2,1,0.489,40,2,483.879,3.926,6,0.343,0.65,1.0,0.8845863888698513,0.6637482009457885,0.44552292509080943,0.43480570214515796,0.6071658042629018
EOS-2-39197,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nnco6)n5)n34)cn2)cc1,SFTXXCXZPXJHKB-UHFFFAOYSA-N,2,1,0.446,6,218,483.879,3.926,6,0.343,0.65,1.0,0.5469981495442396,0.6391782605715852,0.3645140840243986,0.4284147762319238,0.49477631759303686
EOS-2-39198,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)o2)cn1,ZQCJLCYJBYWHAK-UHFFFAOYSA-N,2,1,0.438,40,868,483.879,3.926,6,0.321,0.69,1.0,0.5741467342882599,0.712656774724145,0.3945411555068193,0.42509937632787337,0.5266110102117744
EOS-2-39199,Clc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)no2)n1,MIOCDPXQJGISRK-UHFFFAOYSA-N,2,1,0.446,40,147,483.879,3.926,6,0.321,0.65,1.0,0.5884192310328284,0.5626841888835583,0.25046261394010005,0.30111027345624014,0.4256690768281817
EOS-2-39200,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)no2)nc1,FEKVSKCAKPMCTA-UHFFFAOYSA-N,2,1,0.461,40,147,483.879,3.926,6,0.343,0.71,1.0,0.6336440271400178,0.6391868274964019,0.27609485299157016,0.3293382907271606,0.46956599958878764
EOS-2-39201,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5nnc(-c6ccccn6)o5)n4)n23)cc1,LDDXCKGYYZQETK-UHFFFAOYSA-N,2,1,0.511,81,218,483.879,3.926,6,0.343,0.7,1.0,0.6513775615105202,0.8276163388390103,0.22888253032691386,0.3045027756836406,0.5030948015900213
EOS-2-39202,Clc1nnc(-c2ccccn2)nc1COc1cncc2nnc(-c3conc3-c3ccccc3)n12,AEHWOVJCKGRWKB-UHFFFAOYSA-N,2,1,0.457,28,797,483.879,3.926,6,0.343,0.67,0.918,0.3799174148447673,0.4271040367349736,0.10814885888561442,0.1922503598108423,0.27685516756904943
EOS-2-39203,Clc1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)nn1,YZUOSBGALHPGTE-UHFFFAOYSA-N,2,1,0.473,40,25,483.879,3.926,6,0.343,0.64,1.0,0.6197056404632993,0.6687341511890892,0.3309831402919608,0.3485967377150298,0.49200491741484476
EOS-2-39204,Clc1ccc(-c2oncc2-c2ccnc(-c3nnc4cncc(OCc5ccncc5)n34)c2)nn1,IIGZKXNAKDAFTI-UHFFFAOYSA-N,2,1,0.389,6,160,483.879,3.926,6,0.343,0.6,1.0,0.5470067164690563,0.48894010006168187,0.41588993214995545,0.42842334315674047,0.4700650229593585
EOS-2-39205,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cnccn6)no5)n34)cc2)nn1,TUJVXZGXUAOZMZ-UHFFFAOYSA-N,2,1,0.478,40,2,483.879,3.926,6,0.343,0.67,1.0,0.6970221369337263,0.6588907545747379,0.39454972243163594,0.4027654033308204,0.5383070043177302
EOS-2-39206,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5noc(-c6cccnc6)n5)n4)n23)cc1,BPKUXQDRFBKXGP-UHFFFAOYSA-N,2,1,0.506,80,355,483.879,3.926,6,0.343,0.77,1.0,0.6396922760605853,0.8121530395449249,0.2646066068124186,0.3421886779521623,0.5146601500925228
EOS-2-39207,Clc1nccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)c2)n1,ZFEGGJJXYKVYFI-UHFFFAOYSA-N,2,1,0.511,81,117,483.879,3.926,6,0.321,0.58,1.0,0.5419265300527722,0.5532091700363237,0.4158984990747721,0.39659721746281956,0.4769078541566719
EOS-2-39208,Clc1cnc(-c2cncnc2)cc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,BVLJKBKMYLMCRZ-UHFFFAOYSA-N,2,1,0.489,40,868,483.879,3.926,6,0.343,0.64,1.0,0.8058649167294908,0.7031132204783771,0.5623415118908917,0.5336851483791378,0.6512511993694743
EOS-2-39209,COc1ccnc(-c2nc(Cl)ccc2-c2nnc3cncc(-c4ccc(-c5ccon5)nc4)n23)n1,NETZGVKIZWQBKI-UHFFFAOYSA-N,2,1,0.301,32,191,483.879,4.022,6,0.331,0.6,1.0,0.534353368514838,0.4985607566307998,0.25403502158865054,0.26544616544445204,0.38809882804468504
EOS-2-39210,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)o2)cn1,XYNZUPQCHXDCDS-UHFFFAOYSA-N,2,1,0.442,40,355,483.879,3.926,6,0.321,0.7,1.0,0.5943389760811459,0.7126653416489617,0.33813652251387843,0.3713847577273662,0.504131399492838
EOS-2-39211,Clc1cnc(-c2ccncc2)nc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,OYNXYBWEEADYGE-UHFFFAOYSA-N,2,1,0.462,40,117,483.879,3.926,6,0.343,0.67,1.0,0.7248046741141799,0.6391953944212185,0.3381450894386951,0.35186073607018026,0.5135014735110685
EOS-2-39212,Clc1cccc(-c2ccnnc2COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)n1,ZTEBCBFIWCFFSW-UHFFFAOYSA-N,2,1,0.438,81,893,483.883,3.056,6,0.35,0.55,1.0,0.6083972997052978,0.6491244602837366,0.2611712699609348,0.31076519772462474,0.4573645569186485
EOS-2-39213,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cncc(-c6nn[nH]n6)c5)nc4)n23)c1,CMPRUUMIGNMGAL-UHFFFAOYSA-N,2,1,0.423,2,422,483.883,3.056,6,0.375,0.71,1.0,0.6281097937084504,0.6543845521211706,0.3760365979028168,0.40577239394147074,0.5160758344184772
EOS-2-39214,Clc1cccc(-c2nnc3cncc(OCc4ccc(-n5cc(-c6cnccn6)nn5)nn4)n23)c1,IJBDPIMCWHARJO-UHFFFAOYSA-N,2,1,0.522,71,843,483.883,2.851,6,0.348,0.59,1.0,0.19161640737440888,0.42711260365979026,0.18044513741347407,0.2564680282365842,0.2639105441710644
EOS-2-39215,Clc1cccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)c1,IOVDUCPUZVXKBG-UHFFFAOYSA-N,2,1,0.506,67,893,483.883,3.056,6,0.375,0.71,1.0,0.5316462202727709,0.6784062093071072,0.24316359399629908,0.3169419505174423,0.4425394935234048
EOS-2-39216,COc1nc(-c2nn[nH]n2)ncc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)cc3)n12,FQZXNXDYMGAITJ-UHFFFAOYSA-N,2,1,0.319,42,725,483.883,3.152,6,0.363,0.68,1.0,0.47388801315879653,0.5117366869988349,0.20426975532862723,0.2532725652799671,0.3607917551915565
EOS-2-39217,Clc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)n2)cn1,AZBYNZZQQHDINW-UHFFFAOYSA-N,2,1,0.421,56,893,483.883,3.056,6,0.35,0.69,1.0,0.5368035090124049,0.5969090535261462,0.3234442464532931,0.34860530463984646,0.4514405284079227
EOS-2-39218,Fc1cccc(Oc2ccc(Cl)cc2-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,RHNBMCWNTGBOTP-UHFFFAOYSA-N,2,1,0.418,83,30,483.89,6.698,6,0.271,0.75,1.0,0.6484048385991364,0.7216263450071962,0.9467479953395929,0.9552892193818107,0.818017099581934
EOS-2-39219,Cc1nc(-c2cc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)ccc2Cl)ccc1F,QAVZLHVXLXTXLZ-UHFFFAOYSA-N,2,1,0.321,32,20,483.894,5.671,6,0.318,0.71,1.0,0.3476715098348297,0.5117452539236516,0.8184925639092592,0.8318998012473443,0.6274522822287713
EOS-2-39220,Fc1cccc(COc2cncc3nnc(-c4ccc5ccc(-c6ccc(Cl)nc6)cc5n4)n23)n1,ASXLIWKJYLDAPH-UHFFFAOYSA-N,2,1,0.388,28,891,483.894,5.168,6,0.312,0.77,1.0,0.5823881159618943,0.6734887944623398,0.7943595367007059,0.8278647796586938,0.7195253066959084
EOS-2-39221,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5c(F)cc(-c6ccccc6)cc5Cl)n34)nc2)o1,MDRGSANNUCUAHT-UHFFFAOYSA-N,2,1,0.329,30,74,483.894,5.671,6,0.318,0.74,0.998,0.3359947913097115,0.5257093413748201,0.7083390446165444,0.7781509149475704,0.5870485230621616
EOS-2-39222,Fc1cc(-c2nnc3cncc(-c4cnn(-c5cc(Cl)ccn5)c4)n23)ccc1Oc1ccccc1,OOBWONRJEKLYLV-UHFFFAOYSA-N,2,1,0.352,30,668,483.894,5.624,6,0.316,0.72,1.0,0.037043382907271605,0.3467634158042629,0.8495476663696799,0.877912754437667,0.5278168048797204
EOS-2-39223,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccc(F)c(Cl)c6)n5)n34)cc2)o1,CJUOEQXNWGKMQM-UHFFFAOYSA-N,2,1,0.317,3,192,483.894,5.671,6,0.318,0.69,1.0,0.41732917551915566,0.5824395175107944,0.838145089438695,0.8473973682406963,0.6713277876773354
EOS-2-39224,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)c(F)c6)cc5)n34)nc2)no1,YDTPTPRPHMFIMX-UHFFFAOYSA-N,2,1,0.337,69,550,483.894,5.671,6,0.318,0.8,1.0,0.35917688986361457,0.5489085737783566,0.7880799808100885,0.8259543554245768,0.6305299499691591
EOS-2-39225,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(-c6ccc(F)cc6)c5)n34)cn2)no1,QADNNXMVFQQORI-UHFFFAOYSA-N,2,1,0.367,3,192,483.894,5.671,6,0.318,0.77,1.0,0.35681241861421426,0.634672058118018,0.7701751079432527,0.8339558632033446,0.6489038619697074
EOS-2-39226,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)c(F)c6)cc5)n34)c2)nn1,JLGAGWVJQKHBND-UHFFFAOYSA-N,2,1,0.337,3,74,483.898,4.503,6,0.364,0.7,1.0,0.1582910698375711,0.34170893016242887,0.7494431498869166,0.8116732917551915,0.515279110410527
EOS-2-39227,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)c1,XTIOFBJYEQRLCW-UHFFFAOYSA-N,2,1,0.333,25,228,483.898,4.503,6,0.364,0.76,1.0,0.2813549448290042,0.4802532382975807,0.6402748269481187,0.7453652936741827,0.5368120759372216
EOS-2-39228,Cn1c(-c2ccc(F)c(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,UJZSHLAMRGNJOK-UHFFFAOYSA-N,2,1,0.355,8,474,483.898,4.503,6,0.364,0.73,1.0,0.1803851689397574,0.40428174902337055,0.6013210198067301,0.7187392913439792,0.4761818072784593
EOS-2-39229,Cn1nnc(-c2cc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cc5)n34)ccc2Cl)n1,PNJJUUKVONGULW-UHFFFAOYSA-N,2,1,0.329,9,38,483.898,4.503,6,0.34,0.68,1.0,0.24673600164484957,0.4842368583373312,0.6631228154341717,0.7530155575354671,0.5367778082379548
EOS-2-39230,Cc1ncc(-c2nnc3cncc(-c4cn(-c5ccccc5Cl)nn4)n23)c(-c2ccc(F)cc2)n1,BQTITYVVVDDSAH-UHFFFAOYSA-N,2,1,0.303,10,783,483.898,4.597,6,0.361,0.66,0.977,0.033111164416421084,0.2353334247138647,0.5256665067507368,0.6678089233088891,0.3654800047974779
EOS-2-39231,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccc6Cl)c5)n34)cc2)cc1F,HTTKXSPJKGIXIL-UHFFFAOYSA-N,2,1,0.324,3,150,483.898,4.597,6,0.361,0.61,1.0,0.015026386128435336,0.2052378178329107,0.5658882187649921,0.6271845658282503,0.35333424713864714
EOS-2-39232,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncc(F)cn6)c5)n34)cn2)ccc1Cl,RZRPIGULAQLACO-UHFFFAOYSA-N,2,1,0.293,42,151,483.898,4.597,6,0.361,0.8,1.0,0.014161126721951888,0.21013809882804468,0.6279641559865671,0.682715372489891,0.3837446885066137
EOS-2-39233,Cc1ncc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cn5)c4)n23)c(-c2ccc(F)cc2)n1,XCWOJPQWSZIXFR-UHFFFAOYSA-N,2,1,0.307,42,673,483.898,4.597,6,0.361,0.72,0.892,0.0247498457953533,0.25097662942910015,0.5623500788157083,0.6506236721266534,0.3721750565417038
EOS-2-39234,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cn3)n12,SZIBJGQNQGGKQB-UHFFFAOYSA-N,2,1,0.317,8,934,483.898,4.503,6,0.34,0.77,0.977,0.12242992255499965,0.3994585703515866,0.4631964909875951,0.6300630525666506,0.403787009115208
EOS-2-39235,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(Cl)c5)n34)nc2)c1F,VMBJGHGTRFXIIA-UHFFFAOYSA-N,2,1,0.329,64,449,483.898,4.503,6,0.364,0.65,1.0,0.16641251456377218,0.23534199163868139,0.5492598176958399,0.6390583236241518,0.3975181618806113
EOS-2-39236,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cc5)n34)nc2)nc1Cl,YWDBGAHRSLUMBC-UHFFFAOYSA-N,2,1,0.325,38,787,483.898,4.503,6,0.364,0.7,1.0,0.22760605852923035,0.39946713727640326,0.49762696182578303,0.5757230484545267,0.4251058015214858
EOS-2-39237,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)cc6Cl)n5)n34)cc2)n1,LBHPPVMBQZWWIO-UHFFFAOYSA-N,2,1,0.312,3,158,483.898,4.597,6,0.361,0.71,0.999,0.0719878692344596,0.302352477554657,0.4976355287505997,0.6243917483380166,0.3740919059694332
EOS-2-39238,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(-c2ncc(Cl)cc2F)n1,YKCLALVTJIXXKT-UHFFFAOYSA-N,2,1,0.266,9,7,483.898,4.801,6,0.383,0.59,1.0,0.28963916112672194,0.3945582893564526,0.5691607840449592,0.6300716194914674,0.4708574635049003
EOS-2-39239,Fc1cc(Cl)ccc1Cn1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1,USUVDLUJJFNEQL-UHFFFAOYSA-N,2,1,0.28,30,301,483.898,4.348,6,0.359,0.69,0.472,0.21637482009457884,0.32262182167089304,0.42711260365979026,0.6363597423069015,0.4006172469330409
EOS-2-39240,Cn1ccc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5F)n34)cn2)n1,UGUZXSZICSLCGG-UHFFFAOYSA-N,2,1,0.317,94,287,483.898,4.503,6,0.364,0.58,1.0,0.1691196628058392,0.35156946062641353,0.7447570420121993,0.7755722705777535,0.5102546090055513
EOS-2-39241,Cn1cc(-c2ccc(F)cc2)nc1-c1nncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,ZOTJLQMIXLVEQC-UHFFFAOYSA-N,2,1,0.405,3,186,483.898,4.503,6,0.364,0.72,0.994,0.23295181961483105,0.5489171407031732,0.4840483859913645,0.65063223905147,0.4791373963402097
EOS-2-39242,Fc1cc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)ccc1Cl,ADBSMWKLSDLFKV-UHFFFAOYSA-N,2,1,0.364,30,298,483.898,4.348,6,0.359,0.76,0.999,0.2437461448838325,0.37075937221574945,0.4595555479405113,0.641971078061819,0.4290080357754781
EOS-2-39243,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)s1,WICDPAOZIHYCSM-UHFFFAOYSA-N,2,1,0.521,84,672,483.916,4.127,5,0.34,0.72,0.996,0.7692327462134192,0.845032896991296,0.3945582893564526,0.42209238571722296,0.6077290795695978
EOS-2-39244,Cc1cc(=O)n(C)nc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)nc1F,GOFOJNBIOCJGAR-UHFFFAOYSA-N,2,1,0.388,46,237,483.916,3.688,5,0.351,0.58,0.67,0.40832533753683775,0.444888972654376,0.29799191282297305,0.3360290590089781,0.3718088205057912
EOS-2-39245,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1cscn1,AAWZREFHIRAWTB-UHFFFAOYSA-N,2,1,0.427,49,501,483.916,4.127,5,0.318,0.58,0.999,0.7308700568843808,0.6296347063258173,0.4455314920156261,0.40578096086628745,0.5529543040230279
EOS-2-39246,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1-c1cscn1,SVZDUPADTHKNAG-UHFFFAOYSA-N,2,1,0.454,49,501,483.916,4.127,5,0.318,0.53,0.871,0.7031217874031938,0.6543931190459873,0.37604516482763345,0.3518693029949969,0.5213573435679529
EOS-2-39247,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cc2)s1,XEEGSHFRVWGDRU-UHFFFAOYSA-N,2,1,0.535,72,889,483.916,4.127,5,0.318,0.6,1.0,0.8768761565348503,0.8450414639161127,0.42363443218422314,0.39971557809608665,0.6363169076828182
EOS-2-39248,Cn1c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1-c1cccc(-c2nnco2)c1,YJZOLUCXKZDSJW-UHFFFAOYSA-N,2,1,0.506,77,323,483.919,5.079,6,0.326,0.59,1.0,0.7546261394010007,0.8381536563635118,0.7217462819546295,0.7108148858885615,0.7563352409019259
EOS-2-39249,Cc1ncc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)c(-c2nnc(C)s2)n1,NVBTXOJDEUNJSH-UHFFFAOYSA-N,2,1,0.444,31,779,483.92,3.526,5,0.357,0.61,0.997,0.6169727914467823,0.6392039613460352,0.08360461928586115,0.13267596463573436,0.3681143341786032
EOS-2-39250,COc1ccc(-c2ncn(C)c2-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cc5)[nH]4)n23)cc1,UTRMDGCURDKRTA-UHFFFAOYSA-N,2,1,0.326,3,407,483.923,4.306,6,0.389,0.62,0.083,0.20833904461654446,0.3417174970872456,0.37980604482215063,0.4474590500993763,0.34433040915632923
EOS-2-39251,Cc1nc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cc5)n34)cc2Cl)n(C)n1,CERXVWFDPZUPES-UHFFFAOYSA-N,2,1,0.301,42,303,483.923,4.574,6,0.358,0.68,1.0,0.26787060516756905,0.32718799259817694,0.21140600370091153,0.24149304365704888,0.2619894112809266
EOS-2-39252,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)nc2ccccc21,AYYHGRAKIYQSCV-UHFFFAOYSA-N,2,1,0.441,87,279,483.923,3.805,6,0.352,0.68,1.0,0.5854979096703448,0.5922315125762456,0.1837862380919745,0.24150161058186553,0.4007543177301076
EOS-2-39253,CCn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,DQTZWZXYFHOSDH-UHFFFAOYSA-N,2,1,0.353,67,763,483.923,4.906,6,0.335,0.61,1.0,0.4762096497841135,0.6061613323281475,0.43839524364334176,0.4408625179905421,0.4904071859365362
EOS-2-39254,Cn1nc(-c2nnc3cncc(OCc4cn(-c5ccccc5)nn4)n23)cc1-c1ccc(Cl)cc1,GUQVVXVFOPSVHV-UHFFFAOYSA-N,2,1,0.596,81,104,483.923,4.005,6,0.353,0.8,1.0,0.15557535467068742,0.3898207799328353,0.32345281337810977,0.41256596532108836,0.3203537283256802
EOS-2-39255,Cn1cncc1-c1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1,MSAUFTVGAISNGE-UHFFFAOYSA-N,2,1,0.489,71,247,483.923,4.005,6,0.353,0.65,1.0,0.5111712699609349,0.6346806250428346,0.5190528407922692,0.5231820985539031,0.5470217085874854
EOS-2-39256,Cc1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cc5)n34)cn2)o1,HLYDRDIFSUFYTA-UHFFFAOYSA-N,2,1,0.317,98,424,483.923,4.574,6,0.358,0.65,1.0,0.24375471180864916,0.26094852991570144,0.31247001576314165,0.3139349599067919,0.28277705434857103
EOS-2-39257,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)n(-c5ccccc5)n4)n23)ccn1,XLIKWESVDPPSLZ-UHFFFAOYSA-N,2,1,0.456,28,597,483.923,4.005,6,0.353,0.71,1.0,0.2842248646425879,0.34677198272907955,0.3681550270714824,0.3839781372078679,0.3457825029127544
EOS-2-39258,CCn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4Cl)n23)n1,ZRIAVAYYCVAJPA-UHFFFAOYSA-N,2,1,0.318,98,259,483.927,3.581,6,0.365,0.59,1.0,0.2054177232540607,0.26095709684051815,0.11075320402988144,0.17549345486944007,0.18815536974847508
EOS-2-39259,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)n5C)n34)cc2)n1C,GKBXLVQNNAIGKQ-UHFFFAOYSA-N,2,1,0.342,8,890,483.927,3.406,6,0.35,0.66,1.0,0.13103111507093415,0.2558597765746008,0.059959906791857996,0.10779761496813103,0.138662103351381
EOS-2-39260,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cn(C)nn6)cc5Cl)n34)nc2)nn1C,BSLBYDUIMFHBEZ-UHFFFAOYSA-N,2,1,0.284,99,968,483.927,3.406,6,0.374,0.66,0.992,0.05528236584195737,0.18281817558769103,0.18694743334932493,0.197493317798643,0.1556353231444041
EOS-2-39261,CCn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cnn(C)c4)nc3)n12,VXIKHLQYUFTHCA-UHFFFAOYSA-N,2,1,0.302,8,754,483.927,3.581,6,0.341,0.63,1.0,0.09890514700842985,0.19599410595572614,0.10281166472483037,0.1647847988486053,0.14062392913439792
EOS-2-39262,Cc1cn(C)c(-c2ccc(-c3nnc4cncc(-c5ccc(Cl)c(-c6nnnn6C)c5)n34)cn2)n1,HFBNFKTVTRMJIU-UHFFFAOYSA-N,2,1,0.304,98,866,483.927,3.406,6,0.374,0.66,1.0,0.1637225001713385,0.307432663970941,0.13666815160030155,0.1946919333835926,0.2006288122815434
EOS-2-39263,CCn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,UNCJTVQOQRAZSJ-UHFFFAOYSA-N,2,1,0.322,8,754,483.927,3.581,6,0.341,0.61,0.973,0.15291960797752038,0.16602700294702213,0.03659790281680488,0.08057192790076075,0.10902911041052703
EOS-2-39264,Cc1nc(-c2ccccc2)sc1COc1cncc2nnc(-c3ccc(Cl)c(C(F)F)c3)n12,OZSMFCORUVPVAK-UHFFFAOYSA-N,2,1,0.512,1,709,483.931,6.393,5,0.28,0.68,1.0,0.904941402234254,0.8884843396614351,0.860247755465698,0.857874717291481,0.8778870536632171
EOS-2-39265,COc1cc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)ccc1-c1c(C)oc(=O)n1C,DCTMFYMWDPSBKH-UHFFFAOYSA-N,2,1,0.467,16,458,483.937,4.361,5,0.354,0.51,1.0,0.5316547871975875,0.4842454252621479,0.41590706599958877,0.32934685765197724,0.4402885340278253
EOS-2-39266,COc1cc(-c2nnc3cncc(OCc4cc(Cl)cs4)n23)ccc1-c1c(C)oc(=O)n1C,VDTUUZPZSZVUFF-UHFFFAOYSA-N,2,1,0.478,4,458,483.937,4.361,5,0.354,0.53,1.0,0.5086268932903845,0.5300870399561374,0.37217291481049963,0.30451134260845725,0.42884954766636973
EOS-2-39267,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1n[nH]c(=O)n1C,LXGWLHZSTIIUKX-UHFFFAOYSA-N,2,1,0.49,15,771,483.941,3.225,5,0.378,0.6,1.0,0.579535329997944,0.5212288396957029,0.19031423480227538,0.18942327462134192,0.37012541977931607
EOS-2-39268,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c(-c2ncc(Cl)cn2)n1,CQQFSFZCTSQRAQ-UHFFFAOYSA-N,2,1,0.297,32,902,483.948,4.791,6,0.352,0.67,1.0,0.21114042903159483,0.3226303885957097,0.2504711808649167,0.31394352683160853,0.27454638133095743
EOS-2-39269,Cc1snnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)cc4)n23)nc1,PZWJZIHUUHWZSW-UHFFFAOYSA-N,2,1,0.309,64,449,483.948,4.791,6,0.352,0.68,0.79,0.09891371393324652,0.2509851963539168,0.21797683503529572,0.354884860530464,0.23069015146323077
EOS-2-39270,Fc1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)cc1-c1ccc(Cl)cc1,VQCLJRMQHSBRRM-UHFFFAOYSA-N,2,1,0.34,32,93,483.959,7.041,6,0.27,0.77,1.0,0.2627732849016517,0.48026180522239736,0.9216640394763895,0.9526077719141937,0.654326725378658
EOS-2-39271,Fc1cc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)ccc1Cl,IANKIPSLXAPNCO-UHFFFAOYSA-N,2,1,0.352,21,107,483.959,7.041,6,0.27,0.78,1.0,0.32329860873140975,0.5075474607634843,0.9073829758070043,0.95007196216846,0.6720752518675895
EOS-2-39272,Fc1cc(-c2nccs2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4Cl)cc3)n12,DMVHJRABGBSVIM-UHFFFAOYSA-N,2,1,0.373,69,107,483.959,7.041,6,0.27,0.82,1.0,0.3030292646151737,0.5532177369611404,0.9417534781714756,0.9619028853402782,0.6899758412720169
EOS-2-39273,Fc1ccc(Cl)c(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cs2)c1,LICLGALXMNHOOT-UHFFFAOYSA-N,2,1,0.405,93,107,483.959,7.041,6,0.27,0.75,1.0,0.2869148790350216,0.567207525186759,0.9063720786786376,0.9465680899184429,0.6767656432047152
EOS-2-39274,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)cc2)cnc1Cl,AIWCQHYJIAQHDV-UHFFFAOYSA-N,2,1,0.366,69,30,483.959,7.041,6,0.252,0.73,1.0,0.3185782331574258,0.4842539921869646,0.9583390446165444,0.9688506613665958,0.6825054828318826
EOS-2-39275,Fc1cc(Cl)sc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,JSOZOVYAUYFYHD-UHFFFAOYSA-N,2,1,0.4,93,651,483.959,7.041,6,0.27,0.77,1.0,0.33106880954012746,0.5163628263998356,0.9178260571585224,0.9426358714275923,0.6769733911315194
EOS-2-39276,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)nc2)c(Cl)c1,GIKHFJZRTPRQBE-UHFFFAOYSA-N,2,1,0.378,69,479,483.959,7.041,6,0.27,0.73,1.0,0.3108337331231581,0.5626927558083751,0.9425587691042423,0.9619114522650949,0.6944991775752176
EOS-2-39277,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4sc(CF)nc4Cl)n23)c1,PCECNTCTZKPERS-UHFFFAOYSA-N,2,1,0.473,26,448,483.96,4.876,5,0.313,0.62,1.0,0.4546467000205606,0.4756956342951134,0.18695600027414158,0.24719861558494963,0.3411242375436913
EOS-2-39278,Cc1nn(C)c(-c2ccccc2Cl)c1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,FQIOTNCELSTZEF-UHFFFAOYSA-N,2,1,0.346,69,625,483.988,5.944,6,0.31,0.67,1.0,0.06998320882735933,0.23045884449318071,0.5356298403125214,0.630080186416284,0.3665380200123364
EOS-2-39279,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(Cl)c(-c6ccccc6)s5)n34)cc2)n1C,VYDZZYQGHABRCE-UHFFFAOYSA-N,2,1,0.37,93,74,483.988,5.944,6,0.31,0.72,1.0,0.19999485984511,0.2974350627098897,0.41961654444520596,0.5302241107532041,0.3618176444383524
EOS-2-39280,CNCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)s1,ABTVOGHIDKICCU-UHFFFAOYSA-N,2,1,0.495,75,43,484.01,4.366,5,0.35,0.72,1.0,0.4018915769995203,0.30744123089575764,0.18379480501679119,0.2034815982454938,0.27415230278939073
EOS-2-39281,Cc1cc(-c2nnc3cncc(-c4ccc(-c5nnc(C)n5C)cc4)n23)ccc1Cl,HNSFMMKXVCYRFH-UHFFFAOYSA-N,2,1,0.351,61,269,415.888,4.524,5,0.433,0.79,1.0,0.26278185182646835,0.34678054965389626,0.4908676581454321,0.5567044753615242,0.41428363374683025
EOS-2-39282,Cc1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)ccc1Cl,LOOVMEOPBGYRKR-UHFFFAOYSA-N,2,1,0.582,43,230,415.884,5.123,5,0.399,0.79,1.0,0.760468782125968,0.80021074635049,0.9020115139469536,0.8945668562812693,0.8393144746761703
EOS-2-39283,Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)nc4)n23)ccc1Cl,KWVPIDPTNYHYAO-UHFFFAOYSA-N,2,1,0.373,96,533,415.859,5.621,5,0.383,0.85,1.0,0.379925981769584,0.6205451990953328,0.9456771297375094,0.9619200191899115,0.7270170824480844
EOS-2-39284,Cc1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(Cl)cc1F,HDONPEBZQKDKJJ-UHFFFAOYSA-N,2,1,0.346,96,558,415.859,5.621,5,0.383,0.83,1.0,0.37993454869440063,0.5117538208484682,0.9449575080529093,0.9539270783359606,0.6976432389829347
EOS-2-39285,Cc1cc(-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)cc4)n23)ccc1Cl,BTORVECVQZKWHW-UHFFFAOYSA-N,2,1,0.342,96,558,415.859,5.621,5,0.383,0.85,1.0,0.41070694263587143,0.6110359125488315,0.9583476115413612,0.9708724556233295,0.7377407305873485
EOS-2-39286,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cn1,KEAIQUUCLZNANG-UHFFFAOYSA-N,2,1,0.471,19,691,415.844,3.876,5,0.402,0.81,1.0,0.6607497772599548,0.5874597354533616,0.5221283668014529,0.588222191762045,0.5896400178192036
EOS-2-39287,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc1,UWHKTOBUTVWBPJ-UHFFFAOYSA-N,2,1,0.582,40,22,415.844,3.876,5,0.43,0.74,1.0,0.7397368240696319,0.7749811527654034,0.6338239325611679,0.644858131725036,0.6983500102803097
EOS-2-39288,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cccnc5)n34)ncn2)cc1,YVXLDDGTXVEMGD-UHFFFAOYSA-N,2,1,0.488,44,488,415.844,3.876,5,0.43,0.83,0.999,0.616981358371599,0.6061698992529642,0.6194143650195326,0.6707645123706394,0.6283325337536838
EOS-2-39289,Clc1ccnc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)c1,AKYRWSYBPACPNV-UHFFFAOYSA-N,2,1,0.598,4,817,415.844,3.876,5,0.43,0.64,1.0,0.4546552669453773,0.6205537660201494,0.6822441916249743,0.7108234528133781,0.6170691693509698
EOS-2-39290,Clc1cccnc1COc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,NCZGKBZZIUNIIE-UHFFFAOYSA-N,2,1,0.556,40,22,415.844,3.876,5,0.43,0.76,1.0,0.7308786238091974,0.7792817490233706,0.594647385374546,0.627193132753067,0.6830002227400452
EOS-2-39291,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)nn1,NEQILCUDXUCWJI-UHFFFAOYSA-N,2,1,0.529,72,418,415.844,3.876,5,0.43,0.75,1.0,0.5060482489205674,0.5922400795010623,0.5011993694743335,0.5532091700363237,0.5381742169830717
EOS-2-39292,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cc2)cn1,JPZMIFDJNNRDMQ-UHFFFAOYSA-N,2,1,0.518,72,22,415.844,3.876,5,0.402,0.78,1.0,0.6484134055239531,0.7356761017065314,0.6402833938729354,0.6678174902337057,0.6730475978342814
EOS-2-39293,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cn1,IXKZRQQUVSCTAV-UHFFFAOYSA-N,2,1,0.453,97,959,415.844,3.876,5,0.402,0.81,1.0,0.6851312452881914,0.6205623329449661,0.6432475498595024,0.6562350078815709,0.6512940339935578
EOS-2-39294,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)ccn1,FIYZFWNPGYVGQE-UHFFFAOYSA-N,2,1,0.538,72,202,415.844,3.876,5,0.402,0.72,1.0,0.8086920019189912,0.8045627441573573,0.7563052566650675,0.7555428003563841,0.78127570077445
EOS-2-39295,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)cc1,SHVOUFQZCWQJND-UHFFFAOYSA-N,2,1,0.636,43,389,415.844,3.876,5,0.43,0.83,1.0,0.9211071893633062,0.9331522856555411,0.6279727229113837,0.6589250222740045,0.7852893050510589
EOS-2-39296,Clc1ccnc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1,FZCAGEOXNUEZLZ-UHFFFAOYSA-N,2,1,0.649,24,912,415.844,3.876,5,0.43,0.65,1.0,0.48350866972791445,0.582448084435611,0.5424919470906723,0.5790898499074772,0.5468846377904188
EOS-2-39297,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnccn5)n34)c2)cc1,KSZMJSBCHTZYIO-UHFFFAOYSA-N,2,1,0.506,2,419,415.844,3.876,5,0.43,0.74,1.0,0.5267288054280036,0.717120142553629,0.657699952025221,0.7023593310945103,0.650977057775341
EOS-2-39298,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)n1,SMDCWBMCKRLVFM-UHFFFAOYSA-N,2,1,0.53,97,31,415.844,3.876,5,0.402,0.76,1.0,0.670130559934206,0.7262439174833801,0.6657185936536221,0.6766499897196903,0.6846857651977247
EOS-2-39299,Cc1ncc(-c2cncc3nnc(-c4cccnc4)n23)c(Oc2ccc(Cl)cc2)n1,LOFCFVJOBWRLKH-UHFFFAOYSA-N,2,1,0.411,82,478,415.844,4.397,5,0.429,0.71,1.0,0.4243968884929066,0.4889486669864985,0.5322801727092044,0.5630868343499418,0.5021781406346378
EOS-2-39300,Clc1ccc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)nc1,QCUWMIMJSRUWOM-UHFFFAOYSA-N,2,1,0.536,24,267,415.844,3.876,5,0.43,0.76,1.0,0.4612774998286615,0.5029470221369338,0.5256750736755534,0.5663851004043589,0.5140711740113769
EOS-2-39301,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cn2)nc1,SGDQPIPLDXYQQG-UHFFFAOYSA-N,2,1,0.649,24,786,415.844,3.876,5,0.43,0.74,1.0,0.5971660612706463,0.7667740387910356,0.5256836406003701,0.5532177369611404,0.610710369405798
EOS-2-39302,Clc1cccc(-c2ccc(COc3cncc4nnc(-c5ccccn5)n34)nc2)n1,WKUPYJPGZHJRED-UHFFFAOYSA-N,2,1,0.512,24,122,415.844,3.876,5,0.402,0.83,1.0,0.4685336851483791,0.5581865533548077,0.4908762250702488,0.5231906654787197,0.5101967822630389
EOS-2-39303,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2)cn1,KXMRWRUEMSCFSP-UHFFFAOYSA-N,2,1,0.662,40,22,415.844,3.876,5,0.43,0.71,1.0,0.619714207388116,0.7309642930573641,0.5727417586183263,0.5757316153793435,0.6247879686107874
EOS-2-39304,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cn1,ZFLGMUMPDJSONR-UHFFFAOYSA-N,2,1,0.488,46,959,415.844,3.876,5,0.402,0.8,1.0,0.7031303543280104,0.629643273250634,0.5788242752381605,0.5914604893427455,0.6257645980398876
EOS-2-39305,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccncn5)n34)c2)cc1,MLZALOVKFZRZJJ-UHFFFAOYSA-N,2,1,0.455,97,560,415.844,3.876,5,0.43,0.81,1.0,0.5035638407237338,0.6248800630525666,0.6279812898362004,0.6766585566445069,0.6082709375642519
EOS-2-39306,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncnc5)n34)c2)cc1,ZPNBQSPWLDNQMN-UHFFFAOYSA-N,2,1,0.488,97,160,415.844,3.876,5,0.43,0.82,1.0,0.6544359536700706,0.6687427181139058,0.6657271605784387,0.7160664108011788,0.6762430607908985
EOS-2-39307,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncccn5)n34)c2)cc1,ZMYHWLBYGNSYAQ-UHFFFAOYSA-N,2,1,0.452,97,560,415.844,3.876,5,0.43,0.81,1.0,0.5343619354396546,0.6392125282708518,0.5118994585703516,0.5914690562675622,0.569235744637105
EOS-2-39308,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)n1,RWQGLZRAAOGHJM-UHFFFAOYSA-N,2,1,0.549,24,786,415.844,3.876,5,0.402,0.79,1.0,0.5599941744911247,0.6882667397710918,0.49410595572613253,0.5200466040710027,0.5656033685148378
EOS-2-39309,Clc1cnc(COc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)cn1,KXSYPPSGAOIJSH-UHFFFAOYSA-N,2,1,0.506,97,700,415.844,3.876,5,0.43,0.64,0.999,0.5134672058118018,0.6061784661777808,0.4236429991090398,0.49038791035569873,0.5084191453635802
EOS-2-39310,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,PDMVSAIHFSKOLJ-UHFFFAOYSA-N,2,1,0.443,97,700,415.844,3.876,5,0.43,0.8,1.0,0.557355561647591,0.6832807895277911,0.48770646288808167,0.5467668425741896,0.5687774141594133
EOS-2-39311,Clc1ccc(COc2cncc3nnc(-c4cccnc4-c4ccncc4)n23)nc1,IPNAMPKYOGJJTP-UHFFFAOYSA-N,2,1,0.588,97,183,415.844,3.876,5,0.43,0.66,0.925,0.5160287163319854,0.6296518401754506,0.5356384072373381,0.5757401823041601,0.5642647865122337
EOS-2-39312,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc1,IAMXHNORPZOACE-UHFFFAOYSA-N,2,1,0.548,4,436,415.844,3.876,5,0.43,0.75,1.0,0.7458621753135495,0.9175433486395723,0.627989856761017,0.6589335891988212,0.73758224247824
EOS-2-39313,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)ccn1,YTEPILCTMHBRSF-UHFFFAOYSA-N,2,1,0.538,97,91,415.844,3.876,5,0.402,0.76,1.0,0.8684291686656158,0.8348039887601947,0.6957028305119595,0.6882067712973751,0.7717856898087863
EOS-2-39314,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnc5)n34)cc2)nn1,QEWJHQIJHNLNMC-UHFFFAOYSA-N,2,1,0.556,72,613,415.844,3.876,5,0.43,0.82,1.0,0.8640771708587486,0.7216349119320129,0.6307312727023507,0.6390668905489686,0.7138775615105202
EOS-2-39315,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnc5)c4)n23)cc1,VTMSRUACWSBFNN-UHFFFAOYSA-N,2,1,0.628,97,817,415.844,3.876,5,0.43,0.74,1.0,0.9237201014323898,0.9467651291892263,0.7161777808237955,0.7321893633061476,0.8297130936878898
EOS-2-39316,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnc5)n4)n23)cc1,ZAADIXUBFWBQLG-UHFFFAOYSA-N,2,1,0.562,97,335,415.844,3.876,5,0.43,0.85,1.0,0.8437135905695292,0.9419076828181756,0.5155661023918854,0.5790984168322939,0.7200714481529711
EOS-2-39317,Clc1nccc(-c2ccc(COc3cncc4nnc(-c5ccccc5)n34)nc2)n1,HRIVAZRWAQOGMW-UHFFFAOYSA-N,2,1,0.58,1,700,415.844,3.876,5,0.402,0.8,1.0,0.5943475430059626,0.6882753066959084,0.5256922075251867,0.5264032622849701,0.583679579878007
EOS-2-39318,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)nc1,XRZAQHRIINSYLC-UHFFFAOYSA-N,2,1,0.595,75,183,415.844,3.876,5,0.43,0.73,1.0,0.5185473922280858,0.5874683023781784,0.6279984236858337,0.6419796449866356,0.5939984408196834
EOS-2-39319,Clc1cccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)c1,HJOYOKAOQHIQJN-UHFFFAOYSA-N,2,1,0.638,4,850,415.844,3.876,5,0.43,0.75,1.0,0.48106709615516413,0.6832893564526078,0.6074549379754643,0.647693783839353,0.6048762936056473
EOS-2-39320,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccncc5)n4)n23)cc1,RPLRJEIBKIIPOV-UHFFFAOYSA-N,2,1,0.584,97,539,415.844,3.876,5,0.43,0.81,1.0,0.8217394284147762,0.9315417037900076,0.5492683846206565,0.5914776231923788,0.7235067850044548
EOS-2-39321,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)ccn1,PMBQFBBPTCVLSH-UHFFFAOYSA-N,2,1,0.437,97,529,415.844,3.876,5,0.402,0.84,1.0,0.6821328216023577,0.6784147762319238,0.6519344116236035,0.6678260571585224,0.6700770166541019
EOS-2-39322,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1,IMICACFCLQBQJU-UHFFFAOYSA-N,2,1,0.566,81,268,415.844,3.876,5,0.43,0.81,0.999,0.7001576314166267,0.9136196970735385,0.542500514015489,0.5974230690151463,0.6884252278802001
EOS-2-39323,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,NOBAUSMFHRMCNU-UHFFFAOYSA-N,2,1,0.557,16,540,415.844,3.876,5,0.43,0.74,1.0,0.8640857377835652,0.804571311082174,0.6847371667466247,0.6911623603591255,0.7611391439928723
EOS-2-39324,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)n1,RNQWJFZDASDCMN-UHFFFAOYSA-N,2,1,0.566,97,183,415.844,3.876,5,0.402,0.76,1.0,0.5060568158453841,0.6110444794736481,0.5759372215749434,0.597431635939963,0.5726175382084846
EOS-2-39325,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nc4)n23)cc1,VVTRNFWDXISSHD-UHFFFAOYSA-N,2,1,0.636,97,817,415.844,3.876,5,0.43,0.78,1.0,0.9289459255705572,0.9331608525803577,0.7083476115413612,0.7160749777259955,0.821632341854568
EOS-2-39326,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)cc1,BMHRMZCCBCTRGV-UHFFFAOYSA-N,2,1,0.595,24,850,415.844,3.876,5,0.43,0.83,1.0,0.7488348982249332,0.9267442258926736,0.515574669316702,0.5757487492289768,0.6917256356658215
EOS-2-39327,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)n1,MTHPDZMJGVPCTD-UHFFFAOYSA-N,2,1,0.494,97,529,415.844,3.876,5,0.402,0.83,1.0,0.4910304297169488,0.5922486464258789,0.5560362552258241,0.5945188815022959,0.558458553217737
EOS-2-39328,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnc5)n4)n23)cc1,ZTYVQYBMEGINEF-UHFFFAOYSA-N,2,1,0.588,97,539,415.844,3.876,5,0.43,0.81,1.0,0.7835823452813379,0.9346857651977246,0.5190614077170859,0.5727331916935097,0.7025156774724144
EOS-2-39329,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cncc(Cl)c5)n34)ccn2)cn1,LDGJVFSNUSQISR-UHFFFAOYSA-N,2,1,0.444,13,110,415.844,4.397,5,0.429,0.8,1.0,0.6701391268590227,0.7126739085737783,0.660535604139538,0.6477023507641697,0.6727627475841271
EOS-2-39330,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)ccn2)cn1,VGDRADDQBOFNPR-UHFFFAOYSA-N,2,1,0.62,24,110,415.844,4.397,5,0.429,0.74,1.0,0.5368120759372216,0.6392210951956686,0.5759457884997601,0.6064697416215475,0.5896121753135495
EOS-2-39331,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,LKYKVJZKGBJCOJ-UHFFFAOYSA-N,2,1,0.55,13,374,415.844,4.397,5,0.429,0.83,1.0,0.7518161880611336,0.8884929065862518,0.5979370845041464,0.6064783085463642,0.7111811219244739
EOS-2-39332,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)cc1,WMNARLYAWOIKFM-UHFFFAOYSA-N,2,1,0.6,4,850,415.844,3.876,5,0.43,0.78,1.0,0.7186107874717291,0.9136282639983552,0.6307398396271674,0.6648619011719553,0.7319601980673018
EOS-2-39333,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)ccn1,PEDPQRPUADWSGW-UHFFFAOYSA-N,2,1,0.476,97,565,415.844,3.876,5,0.402,0.77,1.0,0.6792372010143239,0.7579843739291344,0.6768812966897403,0.6735915975601399,0.6969236172983346
EOS-2-39334,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cn1,OPBNYJWNPQVXGM-UHFFFAOYSA-N,2,1,0.57,97,992,415.844,3.876,5,0.402,0.76,1.0,0.8748286615036667,0.7708861627030361,0.6874528819135083,0.6766671235693236,0.7524587074223836
EOS-2-39335,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccn5)n34)cc2)nc1,LDMKQHNLVGEABG-UHFFFAOYSA-N,2,1,0.5,97,19,415.844,3.876,5,0.43,0.77,1.0,0.8189209101500925,0.819888972654376,0.5257007744500034,0.5630954012747584,0.6819015146323075
EOS-2-39336,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccccn5)n4)n23)cc1,AGSHTSXPHZTHGB-UHFFFAOYSA-N,2,1,0.556,24,335,415.844,3.876,5,0.43,0.84,1.0,0.876884723459667,0.9445205948872593,0.43840381056815847,0.5135957096840518,0.693351209649784
EOS-2-39337,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cccnc5)n34)c2)cc1,YRURGRNSRDBXJT-UHFFFAOYSA-N,2,1,0.494,97,207,415.844,3.876,5,0.43,0.75,1.0,0.5523696114042903,0.587476869302995,0.6432561167843192,0.7108320197381948,0.6234836543074498
EOS-2-39338,Clc1ccc(-c2nnc3cncc(OCc4cccnc4-c4cncnc4)n23)cc1,QBQCKUGUXXOUCU-UHFFFAOYSA-N,2,1,0.62,97,817,415.844,3.876,5,0.43,0.8,1.0,0.9237286683572065,0.9455914604893427,0.6432646837091358,0.6766756904941402,0.7973151257624562
EOS-2-39339,Clc1cncc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)c1,MMBFYHZYKATJIA-UHFFFAOYSA-N,2,1,0.512,16,817,415.844,3.876,5,0.43,0.69,1.0,0.6821413885271743,0.6784233431567405,0.7241535878281132,0.7401566033856487,0.7062187307244192
EOS-2-39340,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5cccc(Cl)c5)n34)cc2)nn1,RREOHHSKALXDPV-UHFFFAOYSA-N,2,1,0.542,13,15,415.844,4.397,5,0.429,0.82,1.0,0.5686810362552258,0.7309728599821808,0.5882821602357617,0.6331300116510178,0.6302665170310465
EOS-2-39341,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)cn1,IXYNMMXSSKMFLM-UHFFFAOYSA-N,2,1,0.524,97,91,415.844,3.876,5,0.402,0.7,1.0,0.7031389212528271,0.6588993214995545,0.7292509080940306,0.7266551298745803,0.7044860701802482
EOS-2-39342,Clc1cccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)c1,JAFJCSPCHDWPTI-UHFFFAOYSA-N,2,1,0.506,97,401,415.844,3.876,5,0.43,0.81,1.0,0.5943561099307793,0.7216434788568296,0.5915632924405455,0.6390754574737852,0.6366595846754849
EOS-2-39343,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c1,XYXLNSUYZVTKJB-UHFFFAOYSA-N,2,1,0.442,46,160,415.844,3.876,5,0.43,0.82,1.0,0.6513861284353368,0.6248886299773834,0.6546415598656706,0.6795884449318073,0.6526261908025495
EOS-2-39344,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)ncn1,IOKPJEPHAFWGKW-UHFFFAOYSA-N,2,1,0.562,40,22,415.844,3.876,5,0.402,0.83,1.0,0.6639281063669386,0.7404136111301487,0.6519429785484202,0.667834624083339,0.6810298300322115
EOS-2-39345,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncn5)n34)cc2)cn1,BFOSVGZPNZRLGZ-UHFFFAOYSA-N,2,1,0.518,40,22,415.844,3.876,5,0.402,0.74,1.0,0.6729405112740731,0.7537351792200672,0.6874614488383249,0.6911709272839421,0.7013270166541018
EOS-2-39346,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cc1,YYQDRFXOORLGLK-UHFFFAOYSA-N,2,1,0.645,97,770,415.844,3.876,5,0.43,0.83,1.0,0.9387122198615585,0.9478102940168597,0.5591546158590912,0.5914861901171955,0.7592908299636763
EOS-2-39347,Clc1cc(-c2ccccc2)nc(COc2cncc3nnc(-c4ccccn4)n23)n1,WDNJGJUFQKMFCA-UHFFFAOYSA-N,2,1,0.488,44,700,415.844,3.876,5,0.402,0.75,1.0,0.46128606675347816,0.5771451579740936,0.3234613803029265,0.4057895277911041,0.4419205332054006
EOS-2-39348,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nc1,BIOARKKBCVNSIE-UHFFFAOYSA-N,2,1,0.536,46,162,415.844,3.876,5,0.43,0.77,1.0,0.5419350969775889,0.6160989651154821,0.5221369337262696,0.5597714344458913,0.5599856075663079
EOS-2-39349,Clc1cc(-c2ncccc2COc2cncc3nnc(-c4cccnc4)n23)ccn1,UWLVVXZCXOCEIW-UHFFFAOYSA-N,2,1,0.46,97,183,415.844,3.876,5,0.402,0.75,1.0,0.6366424508258516,0.6832979233774245,0.5915718593653622,0.612877801384415,0.6310975087382633
EOS-2-39350,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccn5)n34)cn2)cc1,QMEMAQOPUMJRME-UHFFFAOYSA-N,2,1,0.5,97,801,415.844,3.876,5,0.43,0.82,1.0,0.6639366732917552,0.827624905763827,0.5221455006510863,0.5852666027002947,0.6497434206017408
EOS-2-39351,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)nc4)n23)cc1,VMVHYIYRAVWEIY-UHFFFAOYSA-N,2,1,0.623,97,232,415.844,3.876,5,0.43,0.79,1.0,0.9414879035021588,0.9552635186073607,0.5012079363991502,0.5567130422863409,0.7386681001987526
EOS-2-39352,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)ccn1,RWSMWZXACLRGEC-UHFFFAOYSA-N,2,1,0.476,24,786,415.844,3.876,5,0.402,0.79,1.0,0.7546347063258173,0.7792903159481872,0.5946559522993626,0.6031372078678637,0.6829295456103077
EOS-2-39353,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccncc5)n34)ccn2)cn1,KPJWHFUKRCRATM-UHFFFAOYSA-N,2,1,0.519,97,183,415.844,3.876,5,0.402,0.77,1.0,0.639700842985402,0.7309814269069974,0.6874700157631417,0.6795970118566239,0.6844373243780413
EOS-2-39354,Cc1cnc(-c2ccnc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)cn1,LWIWEXJTBFPAHL-UHFFFAOYSA-N,2,1,0.518,13,110,415.844,4.397,5,0.429,0.75,1.0,0.4958964430128161,0.5672160921115756,0.569169350969776,0.6003358234528133,0.5581544273867453
EOS-2-39355,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cc1,SJYZKXWAEOQJES-UHFFFAOYSA-N,2,1,0.623,4,539,415.844,3.876,5,0.43,0.82,1.0,0.794822150640806,0.9331694195051744,0.5560448221506408,0.5914947570420122,0.7188827873346584
EOS-2-39356,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)ccn2)cn1,ZAEHWFMQKIENPB-UHFFFAOYSA-N,2,1,0.62,13,110,415.844,4.397,5,0.429,0.77,1.0,0.5998218079638133,0.6734973613871564,0.6251713384963333,0.6363683092317182,0.6337147042697553
EOS-2-39357,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)nn4)n23)cc1,DGAXLKKGHZOZRU-UHFFFAOYSA-N,2,1,0.588,81,268,415.844,3.876,5,0.43,0.8,1.0,0.7488434651497499,0.9212699609348228,0.49088479199506546,0.5695891302857926,0.6826468370913576
EOS-2-39358,Clc1cc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)ccn1,LCZXETUVLHTWHY-UHFFFAOYSA-N,2,1,0.416,18,160,415.844,3.876,5,0.402,0.81,1.0,0.6029059008978137,0.6013895552052635,0.6546501267904873,0.6736001644849565,0.6331364368446302
EOS-2-39359,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)ccn1,GECJTYOKZBDNTG-UHFFFAOYSA-N,2,1,0.437,19,691,415.844,3.876,5,0.402,0.83,0.998,0.6639452402165719,0.6346891919676513,0.5291018436022206,0.6003443903776301,0.6070201665410184
EOS-2-39360,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccncc5)n34)c2)nc1,GEJHKSOIDNGXEH-UHFFFAOYSA-N,2,1,0.447,46,181,415.844,3.876,5,0.43,0.79,1.0,0.6197227743129327,0.5627013227331917,0.6194229319443493,0.6419882119114523,0.6109588102254815
EOS-2-39361,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cn1,STAIMSAQLMAOPE-UHFFFAOYSA-N,2,1,0.494,55,879,415.844,3.876,5,0.402,0.78,1.0,0.7948307175656226,0.7356846686313481,0.651951545473237,0.6506408059762867,0.7082769344116235
EOS-2-39362,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cc1,RNULZXSNFOWYEU-UHFFFAOYSA-N,2,1,0.549,54,691,415.844,3.876,5,0.43,0.86,1.0,0.6911280926598589,0.6441556438900692,0.5915804262901789,0.662111918305805,0.647244020286478
EOS-2-39363,COc1ccc(-c2cccnc2-c2nnc3cncc(-c4cncc(Cl)c4)n23)cn1,JTOOSBSDWVPQJI-UHFFFAOYSA-N,2,1,0.299,82,478,415.844,3.972,5,0.438,0.75,1.0,0.3934274552806525,0.4404084709752587,0.5526780206976903,0.5631039681995751,0.4874044787882942
EOS-2-39364,Clc1ccnc(COc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)n1,BUNFUILOEUESKW-UHFFFAOYSA-N,2,1,0.455,97,700,415.844,3.876,5,0.402,0.74,0.996,0.5741553012130766,0.6441642108148858,0.35335138098828045,0.44087108491535876,0.5031354944829004
EOS-2-39365,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)c4)n23)cc1,XFPQTPREFYLESK-UHFFFAOYSA-N,2,1,0.623,97,817,415.844,3.876,5,0.43,0.75,1.0,0.9142022479610719,0.9299225549996574,0.7519361250085669,0.7709632650263861,0.8417560482489206
EOS-2-39366,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)cn2)cn1,HNQROEZXQCKTDL-UHFFFAOYSA-N,2,1,0.46,13,110,415.844,4.397,5,0.429,0.76,1.0,0.582396682886711,0.6784319100815571,0.562358645740525,0.5822510451648276,0.6013595709684052
EOS-2-39367,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5)ncn4)n23)cc1,OGFHKOPHVIZTBU-UHFFFAOYSA-N,2,1,0.566,4,675,415.844,3.876,5,0.43,0.82,1.0,0.7665855664450689,0.9212785278596395,0.62517990542115,0.6589421561236378,0.7429965389623739
EOS-2-39368,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccnc5)n34)c2)cn1,BCUTZBPGOCKRTD-UHFFFAOYSA-N,2,1,0.438,97,160,415.844,3.876,5,0.402,0.82,1.0,0.5855064765951614,0.5393050510588719,0.6491330272085533,0.6621204852306216,0.6090162600233021
EOS-2-39369,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccn5)n34)cc2)cn1,LSZNZTUBKADNFP-UHFFFAOYSA-N,2,1,0.506,97,19,415.844,3.876,5,0.402,0.8,1.0,0.8137207867863752,0.8198975395791926,0.5819426358714276,0.6064868754711809,0.705511959427044
EOS-2-39370,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nn4)n23)cc1,CVLXCCVROAHTFS-UHFFFAOYSA-N,2,1,0.575,72,534,415.844,3.876,5,0.43,0.79,1.0,0.7458707422383661,0.9116664382153382,0.572750325543143,0.6300887533411007,0.7150940648344871
EOS-2-39371,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccccn5)n34)c2)nc1,WSZLJZNZTZLPKV-UHFFFAOYSA-N,2,1,0.573,46,267,415.844,3.876,5,0.43,0.75,1.0,0.45466383387019393,0.5029555890617504,0.522154067575903,0.5597800013707079,0.5098883729696388
EOS-2-39372,Clc1ccnc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c1,AAKXLPOGJQRIDH-UHFFFAOYSA-N,2,1,0.595,75,183,415.844,3.876,5,0.43,0.71,1.0,0.45687410047289423,0.5672246590363923,0.630748406551984,0.6562435748063875,0.5777726852169145
EOS-2-39373,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,OVCKBNQEMOEVPB-UHFFFAOYSA-N,2,1,0.618,40,300,415.844,3.876,5,0.43,0.74,1.0,0.6762387773284901,0.7537437461448838,0.5727588924679597,0.5882307586868618,0.6477430436570488
EOS-2-39374,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccccn5)n4)n23)cc1,QZWIMZGFEAGURP-UHFFFAOYSA-N,2,1,0.605,4,850,415.844,3.876,5,0.43,0.81,1.0,0.7891337125625385,0.9346943321225413,0.44896682886710987,0.5097748612158179,0.6706424336920019
EOS-2-39375,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,DIGKEVXVUYHXBY-UHFFFAOYSA-N,2,1,0.458,97,700,415.844,3.876,5,0.43,0.8,1.0,0.6701476937838393,0.7171287094784456,0.4307021451579741,0.49974299225549995,0.5794303851689397
EOS-2-39376,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,ZRRWJNYZHQEZSH-UHFFFAOYSA-N,2,1,0.557,16,817,415.844,3.876,5,0.43,0.73,1.0,0.8768932903844836,0.7922092385717223,0.7394883832499486,0.7479953395928998,0.7891465629497636
EOS-2-39377,COc1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)ccc1Cl,WXBVARLEQNFRDA-UHFFFAOYSA-N,2,1,0.362,96,697,415.844,3.972,5,0.438,0.78,1.0,0.4860873140977315,0.5489257076279899,0.7563138235898842,0.7504540470152834,0.6354452230827223
EOS-2-39378,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)cn1,REMNRXYOYRSPOQ-UHFFFAOYSA-N,2,1,0.524,97,183,415.844,3.876,5,0.402,0.76,1.0,0.7308871907340141,0.6491330272085533,0.6631313823589884,0.6589507230484545,0.6755255808375026
EOS-2-39379,Clc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cnccn4)n23)cc1,YIBLFXHIWWSOOF-UHFFFAOYSA-N,2,1,0.543,40,815,415.844,3.876,5,0.43,0.69,1.0,0.7488520320745665,0.77498971969022,0.5788328421629771,0.6128863683092317,0.6788902405592487
EOS-2-39380,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cc3)n12,CVCWVZVMVMRBKZ-UHFFFAOYSA-N,2,1,0.383,96,697,415.844,3.972,5,0.438,0.77,1.0,0.43576519772462474,0.480270372147214,0.7110290590089782,0.7187478582687958,0.5864531217874032
EOS-2-39381,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnc5)n4)n23)cc1,PXIIRLXLLTZSBZ-UHFFFAOYSA-N,2,1,0.556,97,401,415.844,3.876,5,0.43,0.82,1.0,0.7397453909944486,0.9212870947844561,0.5788414090877938,0.6363768761565348,0.7190626927558083
EOS-2-39382,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cn1,JROWJZXPTKRQGZ-UHFFFAOYSA-N,2,1,0.5,24,786,415.844,3.876,5,0.402,0.8,1.0,0.772179768350353,0.7309899938318142,0.5851809334521281,0.5882393256116785,0.6691475053114935
EOS-2-39383,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)n4)n23)cc1,UPIXKKZHJUOJHO-UHFFFAOYSA-N,2,1,0.554,24,401,415.844,3.876,5,0.43,0.8,1.0,0.7031474881776437,0.9055582208210541,0.5045918717017339,0.5757573161537934,0.6722637242135563
EOS-2-39384,Clc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cnccn4)n23)cn1,RCDCAVRQAYQEKE-UHFFFAOYSA-N,2,1,0.482,97,401,415.844,3.876,5,0.43,0.81,1.0,0.6484219724487698,0.745022616681516,0.5851895003769447,0.6390840243986019,0.6544295284764581
EOS-2-39385,Clc1cccnc1-c1ccc(COc2cncc3nnc(-c4cccnc4)n23)nc1,DSNRKNHQEFFMMH-UHFFFAOYSA-N,2,1,0.588,97,850,415.844,3.876,5,0.43,0.73,1.0,0.5884277979576451,0.6980930025358097,0.5560533890754574,0.5945274484271126,0.6092754094990063
EOS-2-39386,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc(CF)n1,ADTMTXXFDSHKIL-UHFFFAOYSA-N,2,1,0.72,90,948,415.831,4.378,4,0.467,0.72,1.0,0.9387207867863752,0.8779384552121171,0.8602563223905147,0.8509355081899801,0.8819627681447468
EOS-2-39387,COc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nc1OC,RMJSJXBQTQXNIC-UHFFFAOYSA-N,2,1,0.556,90,708,415.812,3.575,4,0.476,0.78,1.0,0.9049499691590707,0.9445291618120759,0.7190048660132958,0.5791069837571106,0.7868977451853882
EOS-2-39388,Cn1cnnc1-c1ncc(-c2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)nn1,QXBRHVPEEINNTL-UHFFFAOYSA-N,2,1,0.35,50,216,415.808,1.964,5,0.433,0.71,0.977,0.2707148242067028,0.4182715372489891,0.1519601123980536,0.2890223425399219,0.28249220409841685
EOS-2-39389,Cn1cc(-c2cnc(Cl)c(-c3cncc4nnc(-c5cnc(C#N)nc5)n34)c2)nn1,KSJPQAHHRJMSCN-UHFFFAOYSA-N,2,1,0.321,50,489,415.808,1.964,5,0.405,0.73,0.999,0.09892228085806319,0.1960026728805428,0.22504454800904666,0.2712031389212528,0.19779316016722637
EOS-2-39390,Cc1nnc(-c2cnncc2-c2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)o1,XRPITCSCKBBFRR-UHFFFAOYSA-N,2,1,0.35,50,216,415.804,3.132,5,0.435,0.64,0.991,0.32849873209512714,0.5117623877732849,0.4877150298128984,0.5631125351243917,0.47277217120142556
EOS-2-39391,N#Cc1cc(-c2nnc3cncc(Oc4ccc(-c5cnco5)cn4)n23)ccc1Cl,KPEYJUJNISQXDW-UHFFFAOYSA-N,2,1,0.459,97,412,415.8,4.159,5,0.429,0.83,1.0,0.890009252278802,0.8695257350421493,0.8315656911794942,0.8094373243780413,0.8501345007196216
EOS-2-39392,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)nc1Cl,JMFWSEJXKVQRAX-UHFFFAOYSA-N,2,1,0.463,75,132,484.282,3.501,5,0.334,0.65,1.0,0.8340758001507779,0.8161623603591255,0.34182030018504556,0.45036323761222674,0.6106054245767939
EOS-2-39393,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)n4)n23)nc1Cl,PQKJQYQVHCBUQS-UHFFFAOYSA-N,2,1,0.392,18,262,484.282,3.501,5,0.264,0.63,1.0,0.7864779658693716,0.7708947296278528,0.24317216092111577,0.3682321293948324,0.5421942464532931
EOS-2-39394,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cn2)ccc1Cl,WAIZZPPNPUBJQZ-UHFFFAOYSA-N,2,1,0.524,57,13,484.293,6.017,5,0.306,0.84,1.0,0.9526334726886437,0.9641302857926118,0.9841940237132479,0.9905421150023987,0.9728749742992255
EOS-2-39395,Cc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccc(Cl)c(F)c1,WIJGIBOGHPMPFB-UHFFFAOYSA-N,2,1,0.407,57,236,484.293,6.539,5,0.29,0.71,1.0,0.7665941333698856,0.8515694606264136,0.97506168185868,0.9832345281337811,0.8941149509971901
EOS-2-39396,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)c(F)c1Cl,PWGRVFCCWANQJC-UHFFFAOYSA-N,2,1,0.575,57,13,484.293,6.017,5,0.286,0.78,1.0,0.9533787951476937,0.9672058118017957,0.9829603865396477,0.9895055170995819,0.9732626276471799
EOS-2-39397,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c(Cl)c1F,ZDKKZUUXRWCUHY-UHFFFAOYSA-N,2,1,0.529,57,962,484.293,6.017,5,0.226,0.76,1.0,0.927506682201357,0.9403570694263587,0.9858645740524982,0.990327941881982,0.9610140668905489
EOS-2-39398,Fc1ccc(Cl)c(-c2ccc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)nc2)c1,OSORAOCAACFNDY-UHFFFAOYSA-N,2,1,0.595,34,671,484.293,6.017,5,0.306,0.7,1.0,0.8162137619080255,0.907597148927421,0.9737081077376465,0.9857532040298814,0.9208180556507436
EOS-2-39399,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1ccc(Cl)cc1,ZGVBOEKKLJMFEL-UHFFFAOYSA-N,2,1,0.549,57,929,484.293,6.017,5,0.306,0.74,1.0,0.9488554588444932,0.9467736961140429,0.9737166746624631,0.9857617709546981,0.9637769001439244
EOS-2-39400,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)ccc1Cl,DCNKWUQCVILGHM-UHFFFAOYSA-N,2,1,0.676,59,13,484.293,6.017,5,0.306,0.79,1.0,0.964464395860462,0.9687392913439792,0.9856846686313481,0.9910475635665822,0.9774839798505929
EOS-2-39401,FC(F)Oc1cc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)ccc1Cl,WJWQPOOJFCBIBD-UHFFFAOYSA-N,2,1,0.381,83,558,484.293,6.429,5,0.269,0.81,1.0,0.7001661983414433,0.9096703447330546,0.990070934137482,0.9944743334932493,0.8985954526763074
EOS-2-39402,Fc1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4OCc4ccc(Cl)c(F)c4)n23)cn1,JAMWKRMALIBIMY-UHFFFAOYSA-N,2,1,0.477,45,13,484.293,6.017,5,0.286,0.76,1.0,0.6940322801727092,0.8912685902268521,0.9854362278116647,0.9908076896717154,0.8903861969707354
EOS-2-39403,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)ccc2Cl)cc1,RQJGKMCNHWFSLV-UHFFFAOYSA-N,2,1,0.537,57,929,484.293,6.017,5,0.306,0.73,1.0,0.9446233979850592,0.972148927421013,0.9743077924748133,0.9866184634363648,0.9694246453293126
EOS-2-39404,Fc1ccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)cc1-c1ccnc(Cl)c1,YVTGMJZQDHBXMX-UHFFFAOYSA-N,2,1,0.524,57,671,484.293,6.017,5,0.286,0.76,1.0,0.9001781920361867,0.9212956617092728,0.9806044822150641,0.9892570762798986,0.9478338530601055
EOS-2-39405,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5Cl)c(F)c4)n23)c1,RSEAMOUSTSHZBB-UHFFFAOYSA-N,2,1,0.636,57,146,484.293,6.017,5,0.306,0.7,1.0,0.9067233225961209,0.9519909533273936,0.9792337742443973,0.9885203207456651,0.9566170927283941
EOS-2-39406,Fc1ccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)nc1-c1ccccc1Cl,BWMXGDCFSBBJEP-UHFFFAOYSA-N,2,1,0.524,57,671,484.293,6.017,5,0.306,0.75,1.0,0.8366287437461449,0.8912771571516689,0.9528990473579604,0.9754214927009801,0.9140566102391887
EOS-2-39407,Cc1nc(Oc2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1F,JLIYPMKSNRJHCZ-UHFFFAOYSA-N,2,1,0.427,45,533,484.293,6.539,5,0.29,0.68,1.0,0.7919693646768556,0.9029367418271538,0.9694075114796793,0.9789424988006306,0.9108140291960798
EOS-2-39408,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)c(Cl)c5)c4)n23)c1F,KHXPJWQRGUQPAI-UHFFFAOYSA-N,2,1,0.524,59,13,484.293,6.017,5,0.306,0.84,1.0,0.9183143718730724,0.9315502707148242,0.9873295181961483,0.9931293262970324,0.9575808717702694
EOS-2-39409,Fc1cc(-c2cncc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)c2)ccc1Cl,FXNYKTSSVRJOFZ-UHFFFAOYSA-N,2,1,0.55,57,671,484.293,6.017,5,0.306,0.79,1.0,0.9156414913302721,0.9315588376396409,0.9812213008018642,0.9898738948666986,0.954573881159619
EOS-2-39410,Fc1cccc(F)c1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)c(Cl)c4)c3)n12,KCRUBSXSFSFYQI-UHFFFAOYSA-N,2,1,0.524,59,13,484.293,6.017,5,0.306,0.74,1.0,0.9237372352820231,0.9285347131793571,0.9854447947364814,0.992264066890549,0.9574952025221026
EOS-2-39411,Fc1ccc(-c2nnc3cncc(OCc4cccnc4-c4cccc(Cl)c4Cl)n23)c(F)c1,YBOBQKUQLMAOIP-UHFFFAOYSA-N,2,1,0.54,57,146,484.293,6.017,5,0.306,0.75,1.0,0.9496436159276266,0.9625111370022617,0.9722088958947296,0.9835772051264479,0.9669852134877664
EOS-2-39412,Fc1cc(Cl)cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ccn4)n23)c1,MUOMBSURLGXPDZ-UHFFFAOYSA-N,2,1,0.531,59,153,484.293,6.017,5,0.306,0.76,1.0,0.8619011719553149,0.880439997258584,0.9812298677266809,0.9901052018367487,0.9284190596943322
EOS-2-39413,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)c(Cl)c5F)c4)n23)cn1,DAEZTYNULMFHMJ-UHFFFAOYSA-N,2,1,0.554,57,962,484.293,6.017,5,0.226,0.73,1.0,0.9312761291206908,0.9285432801041738,0.9846309368788979,0.9885288876704817,0.9582448084435611
EOS-2-39414,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ccn4)n23)ccc1Cl,KEJUJZBXOUCKQM-UHFFFAOYSA-N,2,1,0.61,59,13,484.293,6.017,5,0.306,0.79,1.0,0.9067318895209375,0.9029453087519704,0.9848622438489479,0.9915358782811322,0.946518830100747
EOS-2-39415,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4ccccc4Cl)c(F)n3)n12,GKEGUTVZLSPNOZ-UHFFFAOYSA-N,2,1,0.455,57,146,484.293,6.017,5,0.286,0.78,0.999,0.8808083750257008,0.9116750051401549,0.9737252415872798,0.9854619285861147,0.9379176375848125
EOS-2-39416,Fc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)ccc1Cl,MYXNWNOHWHSHPI-UHFFFAOYSA-N,2,1,0.676,59,13,484.293,6.017,5,0.306,0.77,1.0,0.9406055102460421,0.9478188609416763,0.9881605099033651,0.9937375779590158,0.9675806147625248
EOS-2-39417,Fc1ccccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)ncc1Cl,SKDXXCIQKGQODE-UHFFFAOYSA-N,2,1,0.566,57,146,484.293,6.017,5,0.306,0.63,1.0,0.922297991912823,0.9708638886985128,0.9754129257761633,0.9866270303611816,0.9638004591871702
EOS-2-39418,COc1cc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)ccc1-c1ncno1,NBCJENDQOJNTLQ-UHFFFAOYSA-N,2,1,0.523,35,559,484.303,4.173,5,0.336,0.71,1.0,0.6940408470975259,0.6013981221300801,0.6013295867315468,0.5915033239668289,0.6220679699814954
EOS-2-39419,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ncc4Cl)n23)ccc1-c1cocn1,JJTZJNINZMQXQN-UHFFFAOYSA-N,2,1,0.433,49,501,484.303,4.173,5,0.314,0.54,1.0,0.682149955451991,0.5439568912343226,0.4735967377150298,0.4661178123500788,0.5414553491878555
EOS-2-39420,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1nn(C)cc1Cl,GFDKVIKEDQTSJP-UHFFFAOYSA-N,2,1,0.396,7,94,484.307,3.271,5,0.358,0.62,0.986,0.3591854567884312,0.3707679391405661,0.19718490850524295,0.21260537317524503,0.28493591940237134
EOS-2-39421,Fc1cnc(-c2csc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)n2)nc1,NILYMSVUDGMBLO-UHFFFAOYSA-N,2,1,0.57,73,82,484.314,4.185,5,0.37,0.76,1.0,0.7488605989993832,0.8664930436570488,0.3124785826879583,0.38398670413268454,0.5779547323692686
EOS-2-39422,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(Cl)cc1F,NMERROSMTORDNA-UHFFFAOYSA-N,2,1,0.505,37,141,484.322,4.654,5,0.349,0.58,1.0,0.685139812213008,0.7079706668494278,0.7966383387019396,0.831908368172161,0.755414296484134
EOS-2-39423,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5nc(Cl)ccc5Cl)n34)cc2F)cn1,ULJAMEUOBVEOFQ-UHFFFAOYSA-N,2,1,0.506,37,563,484.322,4.654,5,0.326,0.59,1.0,0.7835909122061545,0.8239154273182099,0.7923120416695223,0.8359348228359947,0.8089383010074704
EOS-2-39424,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccc(F)cc1Cl,ORQXFOSSLHQWEV-UHFFFAOYSA-N,2,1,0.463,95,562,484.322,4.654,5,0.349,0.68,0.969,0.5392879172092385,0.5489342745528065,0.7110376259337948,0.8140120622301419,0.6533179699814954
EOS-2-39425,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4Cl)n23)c1,ROFGXYIVXVYYFL-UHFFFAOYSA-N,2,1,0.57,88,70,484.322,4.654,5,0.326,0.68,1.0,0.7093842094441779,0.7309985607566308,0.7990285107257898,0.8380508532657117,0.7693655335480776
EOS-2-39426,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cncc5Cl)n34)cc2F)n1,OBZOGOSYQBPBOZ-UHFFFAOYSA-N,2,1,0.585,37,559,484.322,4.654,5,0.349,0.67,1.0,0.8032434377355905,0.8381622232883285,0.8185011308340758,0.852845932424097,0.8281881810705229
EOS-2-39427,Cn1ncc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)c1-c1cncc(Cl)c1,AXVAWXJQSDWINY-UHFFFAOYSA-N,2,1,0.522,84,672,484.322,4.654,5,0.349,0.69,1.0,0.5943646768555959,0.596917620450963,0.7840792269207045,0.8559728599821808,0.707833596052361
EOS-2-39428,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccc(Cl)c(Cl)c1,RXFDRMPUQPTIPG-UHFFFAOYSA-N,2,1,0.528,95,998,484.322,4.654,5,0.326,0.69,1.0,0.59983037488863,0.6110530463984648,0.7863237612226716,0.8359433897608115,0.7082876430676445
EOS-2-39429,Cn1ncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1-c1ccc(Cl)c(F)c1,GLLICUKKXGUGEL-UHFFFAOYSA-N,2,1,0.552,37,429,484.322,4.654,5,0.349,0.73,1.0,0.6544445205948872,0.654401685970804,0.7863323281474882,0.8509440751147967,0.736530652456994
EOS-2-39430,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1ccc(Cl)c(Cl)c1,QPOWNZXYQYHMAT-UHFFFAOYSA-N,2,1,0.5,95,998,484.322,4.654,5,0.349,0.71,0.999,0.5913662531697622,0.5627098896580084,0.7818432595435543,0.8438249605921458,0.6949360907408677
EOS-2-39431,Clc1ccc(-c2nnc3cncc(OCc4cccc(Br)c4)n23)cc1,PXZFPBFNFZXHBM-UHFFFAOYSA-N,2,1,0.839,48,17,415.678,4.786,4,0.481,0.88,1.0,0.9891885408813652,0.9919470906723322,0.9196765129189226,0.9465766568432595,0.9618472003289699
EOS-2-39432,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccc(Cl)c(F)c1,VXKNRBSTJQIBBN-UHFFFAOYSA-N,2,1,0.5,95,998,484.322,4.654,5,0.349,0.68,0.999,0.5913748200945789,0.5532263038859571,0.7818518264683709,0.8456497155780961,0.6930256665067507
EOS-2-39433,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1ccc(Cl)c(F)c1,NORGWCDXCPOORX-UHFFFAOYSA-N,2,1,0.528,95,998,484.322,4.654,5,0.326,0.7,1.0,0.5998389418134467,0.6014066890548968,0.7840877938455212,0.8380594201905284,0.7058482112260983
EOS-2-39434,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccc(F)c(Cl)c1,XNOOWPZMNBSBSM-UHFFFAOYSA-N,2,1,0.5,95,998,484.322,4.654,5,0.349,0.76,0.999,0.5824052498115276,0.530095606880954,0.7818603933931876,0.8456582825029128,0.6850048831471455
EOS-2-39435,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1ccc(Cl)nc1,JEAQLSORPYSYKL-UHFFFAOYSA-N,2,1,0.6,95,381,484.322,4.654,5,0.326,0.76,1.0,0.6668665615790556,0.6392296621204853,0.8030378315399904,0.847405935165513,0.7391349976012611
EOS-2-39436,Cn1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(Cl)c4)n23)cc1-c1cccc(F)c1,KIALQIMHLMZBOX-UHFFFAOYSA-N,2,1,0.505,95,998,484.322,4.654,5,0.326,0.74,0.997,0.5241073264341032,0.5347474470564046,0.7370382427523816,0.8162137619080255,0.6530266945377288
EOS-2-39437,Cn1nc(-c2nnc3cncc(OCCc4cnc(F)c(Cl)c4)n23)cc1-c1ccc(Cl)cc1,BJZKXHRCAWUKLW-UHFFFAOYSA-N,2,1,0.511,95,266,484.322,4.654,5,0.326,0.68,0.997,0.5998475087382633,0.6346977588924679,0.7519446919333836,0.8219878692344595,0.7021194571996436
EOS-2-39438,Cn1nc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1-c1cncc(Cl)c1,FUSAACQYKJXONU-UHFFFAOYSA-N,2,1,0.489,95,998,484.322,4.654,5,0.349,0.72,0.997,0.5392964841340553,0.4889572339113152,0.7540949900623672,0.8359519566856282,0.6545751661983414
EOS-2-39439,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc(Cl)n1,POXOQUSVFGFCTH-UHFFFAOYSA-N,2,1,0.6,59,294,484.322,5.095,5,0.312,0.74,0.996,0.7366784319100815,0.712682475498595,0.8381536563635118,0.8559814269069974,0.7858739976697964
EOS-2-39440,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccc(Cl)cc1F,XKDLXCMHGDEOHK-UHFFFAOYSA-N,2,1,0.505,95,998,484.322,4.654,5,0.349,0.71,0.999,0.5855150435199781,0.5874854362278117,0.7563223905147008,0.8359605236104448,0.6913208484682338
EOS-2-39441,CCn1cncc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4ccnc(Cl)c4F)n23)c1,QOGCXPMBDKFLKR-UHFFFAOYSA-N,2,1,0.423,26,772,484.322,5.095,5,0.312,0.59,0.981,0.6729490781988897,0.7310071276814475,0.8585772051264479,0.8660304297169488,0.7821409601809335
EOS-2-39442,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1-c1ccc(Cl)nc1,ZWFUFNSBQBWHOY-UHFFFAOYSA-N,2,1,0.469,95,998,484.322,4.654,5,0.326,0.65,1.0,0.5767682132821602,0.6061870331025975,0.7840963607703378,0.8438335275169625,0.7027212836680146
EOS-2-39443,Cn1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1-c1ccc(Cl)cc1,AEOZYQQABRWEBN-UHFFFAOYSA-N,2,1,0.511,95,266,484.322,4.654,5,0.326,0.66,0.997,0.6029144678226304,0.6347063258172846,0.7494517168117333,0.8200260434514427,0.7017746384757727
EOS-2-39444,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccc(F)c(Cl)c1,JBEYCLLQYGVKGH-UHFFFAOYSA-N,2,1,0.522,95,998,484.322,4.654,5,0.326,0.73,1.0,0.6224384894798163,0.5718165307381262,0.792320608594339,0.8456668494277294,0.7080606195600028
EOS-2-39445,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5Cl)n(C)n4)n23)c1Cl,BTYWPZRFLDWORN-UHFFFAOYSA-N,2,1,0.441,95,965,484.322,4.92,5,0.352,0.66,1.0,0.44503461037625935,0.507556027688301,0.7966469056267562,0.8419745048317456,0.6478030121307655
EOS-2-39446,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)cc1F,AARKUKJLMWEXKL-UHFFFAOYSA-N,2,1,0.598,88,803,484.322,4.654,5,0.349,0.74,1.0,0.8483311630457131,0.8912857240764855,0.779710095264204,0.8456754163525461,0.8412505996847373
EOS-2-39447,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1ccc(Cl)c(Cl)c1,RWVKDABNRNRMES-UHFFFAOYSA-N,2,1,0.457,95,266,484.322,4.654,5,0.326,0.68,1.0,0.5343705023644713,0.5532348708107737,0.7110461928586115,0.7896734288259887,0.6470812487149612
EOS-2-39448,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)cnc1Cl,GKBNZGKTBZUEDP-UHFFFAOYSA-N,2,1,0.687,84,360,484.322,4.654,5,0.349,0.67,1.0,0.9112552258241382,0.8937872661229525,0.8030463984648071,0.8278733465835104,0.858990559248852
EOS-2-39449,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c(Cl)c2)n1,VKZRHEOOJNSCDM-UHFFFAOYSA-N,2,1,0.692,88,781,484.322,4.654,5,0.349,0.71,1.0,0.8862740730587348,0.9096789116578713,0.8203944212185594,0.8528544993489137,0.8673004763210198
EOS-2-39450,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4c(Cl)ccc(F)c4Cl)n23)ccn1,OLMWSFXEZWSXTB-UHFFFAOYSA-N,2,1,0.467,59,624,484.322,5.095,5,0.312,0.72,1.0,0.6513946953601535,0.6296604071002673,0.8413576862449456,0.8578832842162977,0.7450740182304161
EOS-2-39451,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1cncc(Cl)c1,SDPJJLKZLWAXMV-UHFFFAOYSA-N,2,1,0.588,95,381,484.322,4.654,5,0.349,0.71,1.0,0.6309283119731341,0.5257179082996367,0.7990370776506065,0.8528630662737304,0.702136591049277
EOS-2-39452,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c(Cl)c2)n1,DTUOEBOXRCWDJC-UHFFFAOYSA-N,2,1,0.565,88,70,484.322,4.654,5,0.349,0.72,1.0,0.8137293537111918,0.8937958330477692,0.8011873757795902,0.8492820917003633,0.8394986635597287
EOS-2-39453,Clc1ccc(-c2nnc3cncc(OCc4ccc(Br)cc4)n23)cc1,PPJMMOCAJLRXJX-UHFFFAOYSA-N,2,1,0.864,48,17,415.678,4.786,4,0.481,0.9,1.0,0.9916815160030156,0.9922812007401823,0.9269755328627236,0.9493694743334933,0.9650769309848537
EOS-2-39454,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ccc(Cl)c(F)c1,PGYVPCIOXZHWCK-UHFFFAOYSA-N,2,1,0.457,95,266,484.322,4.654,5,0.326,0.63,1.0,0.5343790692892879,0.5439654581591392,0.7083561784661778,0.7919093962031389,0.644652525529436
EOS-2-39455,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)c(Cl)c1,RHVHNUSAVQFMGL-UHFFFAOYSA-N,2,1,0.558,88,70,484.322,4.654,5,0.349,0.74,1.0,0.8769018573093003,0.9213042286340896,0.8091289150846412,0.8643513124528819,0.8679215783702282
EOS-2-39456,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1Cl,BZIHHXNYQMCHMX-UHFFFAOYSA-N,2,1,0.622,88,752,484.322,4.654,5,0.349,0.74,1.0,0.8087005688438078,0.8609159756013981,0.7943681036255226,0.8509526420396134,0.8287343225275855
EOS-2-39457,Clc1ccc(-c2nnc3cncc(OCc4ccccc4Br)n23)cc1,YNYWYHLFHOYNLI-UHFFFAOYSA-N,2,1,0.754,48,17,415.678,4.786,4,0.481,0.88,1.0,0.9887087930916318,0.9926495785072991,0.9158984990747722,0.944169350969776,0.9603565554108697
EOS-2-39458,Cn1ncc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)c1-c1cccc(Cl)c1Cl,AGCLVOIFRPUBCZ-UHFFFAOYSA-N,2,1,0.544,37,669,484.322,4.654,5,0.326,0.66,1.0,0.6197313412377493,0.5874940031526283,0.7701836748680694,0.8319169350969776,0.7023314885888562
EOS-2-39459,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cc1-c1ccc(Cl)cc1,XZHWFAOQVBPMTE-UHFFFAOYSA-N,2,1,0.467,95,266,484.322,4.654,5,0.326,0.7,0.98,0.5713453498732095,0.6205708998697828,0.6874785826879584,0.7805924885203207,0.6649968302378179
EOS-2-39460,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ccc(F)c(Cl)c1,NZSRFSOTCBNUKF-UHFFFAOYSA-N,2,1,0.457,95,266,484.322,4.654,5,0.326,0.72,1.0,0.5267373723528203,0.5212374066205195,0.7083647453909945,0.7943081351518059,0.637661914879035
EOS-2-39461,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccc(Cl)cc1F,YHUDPEIMAGEDEF-UHFFFAOYSA-N,2,1,0.468,95,562,484.322,4.654,5,0.349,0.71,0.96,0.5884363648824618,0.5969261873757796,0.7083733123158111,0.8008532657117401,0.6736472825714481
EOS-2-39462,Clc1ccccc1COc1cncc2nnc(-c3ccc(Br)cc3)n12,QMZVTUJNEKSBDU-UHFFFAOYSA-N,2,1,0.754,48,17,415.678,4.786,4,0.481,0.87,1.0,0.9858988417517648,0.987363785895415,0.9205760400246727,0.9479901994380098,0.9604572167774656
EOS-2-39463,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)nc2F)n1,UTRXULYBXOIOHD-UHFFFAOYSA-N,2,1,0.588,19,442,484.322,4.654,5,0.326,0.71,1.0,0.8087091357686245,0.7262524844081968,0.7943766705503392,0.8219964361592763,0.7878336817216092
EOS-2-39464,Cn1ncc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)c1-c1cncc(Cl)c1,HEZUFLBFSKVWMY-UHFFFAOYSA-N,2,1,0.557,84,672,484.322,4.654,5,0.349,0.71,1.0,0.5741638681378932,0.5718250976629429,0.7841049276951545,0.8544222465903639,0.6961290350215887
EOS-2-39465,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)cc1F,HKODKBTXMUZJPP-UHFFFAOYSA-N,2,1,0.595,37,626,484.322,4.654,5,0.326,0.7,1.0,0.9223065588376397,0.8545850181618806,0.8461294633678295,0.8578918511411144,0.870228222877116
EOS-2-39466,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)nc2F)n1,VEOIMTXJIKRCRN-UHFFFAOYSA-N,2,1,0.489,19,442,484.322,4.654,5,0.326,0.69,1.0,0.6607583441847714,0.6882838736207251,0.7747669796449866,0.8179699814954424,0.7354447947364814
EOS-2-39467,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccc(Cl)c(F)c1,VVPVKBDRAWUFQI-UHFFFAOYSA-N,2,1,0.522,95,998,484.322,4.654,5,0.326,0.66,1.0,0.6309368788979508,0.5969347543005963,0.7923291755191556,0.8456839832773627,0.7164711979987664
EOS-2-39468,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c(Cl)c2F)c1,BLCKQDHTKNSIAB-UHFFFAOYSA-N,2,1,0.54,37,669,484.322,4.654,5,0.326,0.63,1.0,0.8058734836543074,0.8545935850866972,0.8397642382290453,0.8509612089644302,0.8377981289836199
EOS-2-39469,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccc(Cl)cc1F,VUVIYPRKEGDXPD-UHFFFAOYSA-N,2,1,0.463,95,562,484.322,4.654,5,0.349,0.68,0.969,0.5573641285724077,0.587502570077445,0.7110547597834281,0.8094458913028579,0.6663418374340346
EOS-2-39470,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)c(Br)n4)n23)n1,PHPGTWFEZSPLKM-UHFFFAOYSA-N,2,1,0.413,31,237,484.343,3.088,5,0.35,0.54,1.0,0.18322082105407442,0.34172606401206224,0.03930505105887191,0.036101021177438145,0.1500882393256117
EOS-2-39471,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)c(Cl)c5)n34)cc2)c1,WOQSEVVPYAMZCV-UHFFFAOYSA-N,2,1,0.4,69,30,484.346,7.087,6,0.267,0.79,1.0,0.3890583236241519,0.5439740250839559,0.9618686176410116,0.9792680419436639,0.7185422520731959
EOS-2-39472,Clc1ccc(Cl)c(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)cn2)c1,CQLNMQNKOCVKDZ-UHFFFAOYSA-N,2,1,0.303,30,317,484.35,6.013,6,0.306,0.67,0.996,0.023704680967719827,0.18717874031937495,0.8223819477760264,0.9033736549928038,0.4841597560139812
EOS-2-39473,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c(Cl)c1,GCUVWENAUQXFAH-UHFFFAOYSA-N,2,1,0.346,93,991,484.35,6.013,6,0.306,0.8,1.0,0.04159241998492221,0.29744362963470633,0.8542337742443973,0.9306935782331575,0.5309908505242958
EOS-2-39474,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)c6)nn5)n34)cc2)c1,OXMTVAKFWJSENX-UHFFFAOYSA-N,2,1,0.37,93,991,484.35,6.013,6,0.306,0.76,1.0,0.025786443698170104,0.27146014666575286,0.8716674662463162,0.9410081557124255,0.5274805530806661
EOS-2-39475,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)cc1Cl,FPTKRSBITLKSBL-UHFFFAOYSA-N,2,1,0.351,93,991,484.35,6.013,6,0.306,0.79,1.0,0.05529093276677404,0.3074497978205743,0.8781783291069838,0.9375556850113084,0.5446186861764101
EOS-2-39476,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)cc1,WNPYVLZPJLJCQF-UHFFFAOYSA-N,2,1,0.364,93,834,484.35,6.217,6,0.321,0.78,1.0,0.28692344595983826,0.45807346994722775,0.9139538071413885,0.9520594887259269,0.6527525529435954
EOS-2-39477,Clc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)cn2)c1,GCYAPRIWDTZOJK-UHFFFAOYSA-N,2,1,0.346,3,668,484.35,6.013,6,0.306,0.71,1.0,0.022668083064903023,0.2714687135905695,0.9020200808717703,0.9450003426769926,0.5352893050510589
EOS-2-39478,Clc1cccc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)c1,QZWCEGQHUXSJAK-UHFFFAOYSA-N,2,1,0.349,3,317,484.35,6.013,6,0.306,0.67,1.0,0.00965492426838462,0.16603556987183882,0.8428911657871291,0.9180230964293057,0.48415118908916455
EOS-2-39479,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(Cl)c6)n5)n34)cc2)c1,PBXNBVGDIFAMPE-UHFFFAOYSA-N,2,1,0.375,93,550,484.35,6.013,6,0.306,0.75,1.0,0.03855116167500514,0.29240627784250567,0.8332448084435611,0.9212528270851895,0.5213637687615653
EOS-2-39481,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4cccc(OC(F)(F)F)c4)n23)cc1,BSTODNRRABRSDE-UHFFFAOYSA-N,2,1,0.808,48,40,484.356,5.21,4,0.336,0.84,1.0,0.9970615447878829,0.9947484750873826,0.9992889452402166,0.9966931670207663,0.9969480330340621
EOS-2-39482,Clc1cccc(Cl)c1COc1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1,YUCJMUHMOILBLH-UHFFFAOYSA-N,2,1,0.603,97,521,484.368,5.713,5,0.295,0.71,1.0,0.8391302857926118,0.8546021520115139,0.8688832156808992,0.8865310808032348,0.862286683572065
EOS-2-39483,COc1cc(-c2nnc3cncc(OCc4ccc(-c5sccc5Cl)cn4)n23)ccc1Cl,WXGVJYWWJVZBHW-UHFFFAOYSA-N,2,1,0.565,4,67,484.368,5.809,5,0.303,0.68,1.0,0.7636214104585018,0.8609245425262148,0.8617983688575149,0.8579004180659311,0.8360611849770406
EOS-2-39484,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ncc5Cl)n34)ccn2)s1,FSZJGMSSUUQNOW-UHFFFAOYSA-N,2,1,0.533,75,496,484.372,4.942,5,0.315,0.67,1.0,0.7122284284833116,0.7537523130697005,0.5356469741621548,0.5852751696251114,0.6467257213350696
EOS-2-39485,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2Cl)c[nH]1,CYGLQRVGMHBFTN-UHFFFAOYSA-N,2,1,0.49,37,639,484.372,4.651,5,0.365,0.78,1.0,0.8970683983277363,0.8239239942430265,0.6657357275032554,0.7187564251936125,0.7763711363169077
EOS-2-39486,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c(Cl)c2)s1,NRKJSEHDBGCASI-UHFFFAOYSA-N,2,1,0.534,72,639,484.372,4.942,5,0.315,0.7,1.0,0.7031560551024604,0.7836937153039545,0.39079740936193547,0.4997515591803166,0.5943496847371668
EOS-2-39487,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)nc2Cl)s1,HXDGWKBRLGZGPU-UHFFFAOYSA-N,2,1,0.598,19,442,484.372,4.942,5,0.315,0.76,1.0,0.6911366595846755,0.7450311836063327,0.36452265094921527,0.4997601261051333,0.5751126550613392
EOS-2-39488,Cc1nc(-c2ncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2Cl)cs1,ZQISMTZYMKADGZ-UHFFFAOYSA-N,2,1,0.495,87,304,484.372,4.942,5,0.337,0.7,1.0,0.6970307038585429,0.7356932355561647,0.3908059762867521,0.49659036392296624,0.5800300699061065
EOS-2-39489,Fc1cccc(-c2nnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)c1F,AUDQWQTZEZNJMY-UHFFFAOYSA-N,2,1,0.65,34,996,484.373,3.497,5,0.32,0.68,1.0,0.9677198272907956,0.9815896785689808,0.7841134946199713,0.805136728120074,0.8846399321499555
EOS-2-39490,Fc1ccccc1-c1nnc2cncc(OCc3cncc(-c4ncc(OC(F)(F)F)cn4)n3)n12,IMLLGIUYPPEVKM-UHFFFAOYSA-N,2,1,0.484,27,343,484.373,3.655,5,0.333,0.63,1.0,0.8825731615379343,0.9375813857857583,0.8730210403673497,0.8051452950448907,0.8745802206839833
EOS-2-39491,Fc1cncc(COc2cncc3nnc(-c4cc(-c5ccc(OC(F)F)nc5)ncn4)n23)c1F,LHTRUIQSJPWQGS-UHFFFAOYSA-N,2,1,0.396,46,564,484.373,3.497,5,0.32,0.58,0.907,0.8269823864025769,0.7749982866150367,0.892716400520869,0.8400640805976287,0.8336902885340278
EOS-2-39492,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C(F)(F)F)ccc5F)nn4)n23)cc1,JMEIDZYKQFAIDV-UHFFFAOYSA-N,2,1,0.585,34,372,484.388,5.124,5,0.322,0.74,0.999,0.972148927421013,0.9708724556233295,0.9916986498526489,0.9857703378795147,0.9801225926941265
EOS-2-39493,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)cnc1F,XNHHKNDDVXLFPH-UHFFFAOYSA-N,2,1,0.517,97,676,484.388,5.124,5,0.255,0.73,1.0,0.9800561990267973,0.9510057569734768,0.9955023644712494,0.9901137687615653,0.9791695223082721
EOS-2-39494,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)nn2)c1F,XRTALQXKOPDJRL-UHFFFAOYSA-N,2,1,0.506,1,138,484.388,5.124,5,0.322,0.77,1.0,0.9672400795010623,0.9561801795627441,0.9921612637927489,0.9851877869919814,0.9751923274621341
EOS-2-39495,Fc1cnnc(-c2cccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)c(F)c5)n34)c2)c1,CZUZJCNTCNWONF-UHFFFAOYSA-N,2,1,0.529,43,138,484.388,5.124,5,0.322,0.6,1.0,0.9168494277294222,0.9231118497704064,0.9937461448838325,0.9868669042560483,0.9551435816599273
EOS-2-39496,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccc(C(F)(F)F)nn5)cc4)n23)c1,AMJMHTKFDAVFSD-UHFFFAOYSA-N,2,1,0.548,43,178,484.388,5.124,5,0.322,0.73,1.0,0.9512884654924268,0.94996915907066,0.9903793434308821,0.9789510657254472,0.967647008429854
EOS-2-39497,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(C(F)(F)F)nc5)n4)n23)cc1F,JSZFEZRZFVKPRC-UHFFFAOYSA-N,2,1,0.547,1,679,484.388,5.124,5,0.322,0.74,1.0,0.9397231169899253,0.9659036392296622,0.9884175176478651,0.9713008018641628,0.9663362689329038
EOS-2-39498,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cc(F)c(F)c5F)n34)cc2)nn1,QKHFKLIUYUDBHS-UHFFFAOYSA-N,2,1,0.541,88,803,484.388,4.565,5,0.2,0.61,1.0,0.9791224042217805,0.9812641354259475,0.9665632924405455,0.9589558632033446,0.9714764238229046
EOS-2-39499,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C(F)(F)F)c5)n34)cc2)nn1,HTGOZUQDBSBMFG-UHFFFAOYSA-N,2,1,0.566,43,138,484.388,5.124,5,0.322,0.75,1.0,0.9794308135151806,0.9700842985401961,0.9935234048385991,0.9846309368788979,0.9819173634432183
EOS-2-39500,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccc(C(F)(F)F)cc5)n4)n23)cc1,GJEVEQFFSSNALZ-UHFFFAOYSA-N,2,1,0.58,57,679,484.388,5.124,5,0.322,0.75,1.0,0.9849564800219314,0.9809557261325474,0.9864899595641149,0.9762953190322802,0.9821743711877184
EOS-2-39501,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(OC(F)(F)F)c5)n34)cc2)o1,YRSWENRAMHNKOS-UHFFFAOYSA-N,2,1,0.571,1,431,484.394,4.328,5,0.333,0.75,1.0,0.9367246933040916,0.8830272085532177,0.9139623740662052,0.778159481872387,0.8779684394489754
EOS-2-39502,COc1cc(-c2nnc3cncc(OCc4c(F)ccc(F)c4F)n23)ccc1-c1noc(=O)n1C,KMEQYRDPNDKPKO-UHFFFAOYSA-N,2,1,0.489,59,718,484.394,3.15,5,0.338,0.66,1.0,0.642459392776369,0.6248971969022,0.6847457336714413,0.6215475292988829,0.6434124631622233
EOS-2-39503,OCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)cc2)o1,ZHTHQZSUSGGUAJ-UHFFFAOYSA-N,2,1,0.528,1,431,484.394,3.811,5,0.368,0.67,1.0,0.8729096703447331,0.7792988828730039,0.9008464121718868,0.7943167020766225,0.8368429168665615
EOS-2-39504,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)c(OCC(F)F)n4)n23)c1,WGXZHVGXTSYNHG-UHFFFAOYSA-N,2,1,0.431,49,814,484.398,3.036,5,0.308,0.61,0.989,0.602923034747447,0.44489753957919265,0.4667346309368789,0.3966057843876362,0.47779024741278875
EOS-2-39505,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)OC(F)F)cc5)n34)nn2)no1,UYATUUFZDKVCME-UHFFFAOYSA-N,2,1,0.479,27,51,484.398,3.726,5,0.322,0.61,0.558,0.6970392707833596,0.6544102528956206,0.7394969501747652,0.6562521417312042,0.6867996538962373
EOS-2-39506,Cn1cc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c(-c2ccc(F)cc2)n1,ZITULNFEMOKOJN-UHFFFAOYSA-N,2,1,0.614,43,431,484.413,4.809,5,0.322,0.82,1.0,0.7217291481049962,0.8576776780206977,0.9739993831814132,0.9472877116030429,0.8751734802275375
EOS-2-39507,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(OC(F)(F)F)c5)n34)cc2)cn1,BFNZVEPQIWLGKZ-UHFFFAOYSA-N,2,1,0.576,43,322,484.413,4.809,5,0.322,0.75,1.0,0.857206497155781,0.9136368309231718,0.9885545884449318,0.9653724898910288,0.9311926016037284
EOS-2-39508,Cn1nc(-c2ccc(F)cc2)cc1COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,KAXCVLXLPKGHSY-UHFFFAOYSA-N,2,1,0.565,1,431,484.413,4.809,5,0.322,0.78,1.0,0.8162223288328422,0.9116835720649715,0.9726201082859297,0.9441779178945926,0.911175981769584
EOS-2-39509,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cc4)n23)ccc1F,QCGRHCOISYQOGD-UHFFFAOYSA-N,2,1,0.563,43,713,484.413,4.809,5,0.322,0.72,1.0,0.9312846960455075,0.9029538756767871,0.9879977383318485,0.967428551847029,0.947416215475293
EOS-2-39510,Cn1nc(C(F)(F)F)cc1-c1ccc(-c2nnc3cncc(OCc4cccc(O)c4)n23)c(F)c1,ZHZRZTBURGKPRX-UHFFFAOYSA-N,2,1,0.484,43,138,484.413,4.634,5,0.366,0.62,1.0,0.8005105887190734,0.8485881707902131,0.9737338085120965,0.9264358165992735,0.8873170961551642
EOS-2-39511,Cc1nc(-c2cnc(COc3cncc4nnc(-c5cnc(-c6cnc(F)cn6)nc5)n34)nc2)no1,ZOMZZAZXPBQYJJ-UHFFFAOYSA-N,2,1,0.379,80,855,484.415,1.905,6,0.336,0.71,1.0,0.46854225207319583,0.48896580083613184,0.033959289973271196,0.02697724624768693,0.25461114728257145
EOS-2-39512,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1ccc(C(F)F)nc1F,LGGCVNMVSSRUFM-UHFFFAOYSA-N,2,1,0.45,95,235,484.417,3.819,5,0.256,0.63,0.964,0.4612946336782948,0.46691453635802893,0.6930385168939758,0.6419967788362689,0.5658111164416422
EOS-2-39513,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)nn2)c(C(F)F)n1,XIQHALVIHZOSQR-UHFFFAOYSA-N,2,1,0.505,54,44,484.417,3.819,5,0.324,0.61,0.648,0.6281183606332671,0.5257264752244535,0.7747755465698033,0.7239651154821465,0.6631463744774175
EOS-2-39514,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)n1C(F)F,WNNBDIWQCZZXNV-UHFFFAOYSA-N,2,1,0.495,27,51,484.417,4.665,5,0.31,0.71,0.999,0.5498081008841066,0.5718336645877595,0.7990456445754232,0.7349222123226646,0.6639024055924885
EOS-2-39515,CCn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(F)cn1,RBZZPFVFJZCJJP-UHFFFAOYSA-N,2,1,0.484,27,51,484.417,4.202,5,0.333,0.61,1.0,0.797657802755123,0.7493232129394832,0.9159070659995888,0.8509697758892468,0.8284644643958604
EOS-2-39516,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnco6)c(F)c5)n34)ccn2)nc1,PSBTZSVNHRWRJM-UHFFFAOYSA-N,2,1,0.506,41,78,484.426,4.156,6,0.343,0.59,1.0,0.9237458022068399,0.7262610513330136,0.682252758549791,0.6420053457610856,0.7435662394626825
EOS-2-39517,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nc5)n34)cc2F)cn1,URPHLRAVXJDGDG-UHFFFAOYSA-N,2,1,0.484,77,177,484.426,4.156,6,0.321,0.65,1.0,0.8269909533273936,0.6347148927421012,0.7494602837365499,0.7135049002809951,0.7311677575217599
EOS-2-39518,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)cc(F)c1-c1cnco1,UJWGQILTJSAACW-UHFFFAOYSA-N,2,1,0.593,28,414,484.426,4.156,6,0.343,0.61,1.0,0.7397539579192653,0.634723459666918,0.6519601123980536,0.6185833733123158,0.6612552258241382
EOS-2-39519,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)o2)cc1F,NDEPKLXPYDWSDX-UHFFFAOYSA-N,2,1,0.5,77,937,484.426,4.156,6,0.343,0.79,1.0,0.8748372284284833,0.7450397505311493,0.5819512027962442,0.5727417586183263,0.6936424850935508
EOS-2-39520,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5F)n34)nc2)n1,YMYQJXJUNUZQDW-UHFFFAOYSA-N,2,1,0.398,28,177,484.426,4.156,6,0.321,0.6,1.0,0.7891422794873553,0.5718422315125763,0.7083818792406278,0.6736087314097732,0.6857437804125832
EOS-2-39521,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6ncon6)nc5)n34)c2)cc1F,LQNSVAZXMHYLST-UHFFFAOYSA-N,2,1,0.451,28,414,484.426,4.156,6,0.343,0.6,1.0,0.6851483791378247,0.5117709546981015,0.7060088410664108,0.6911794942087588,0.648526917277774
EOS-2-39522,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)no2)nc1,SBTBWHVLYCFRKA-UHFFFAOYSA-N,2,1,0.447,28,59,484.426,4.156,6,0.321,0.6,1.0,0.727845932424097,0.6249057638270167,0.4806473168391474,0.5097834281406346,0.585795610307724
EOS-2-39523,Fc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5F)n34)n2)nc1,ASKHUNDLKXFBEW-UHFFFAOYSA-N,2,1,0.452,28,414,484.426,4.156,6,0.343,0.7,1.0,0.6113271879925982,0.6981015694606264,0.5425090809403057,0.5882478925364951,0.6100464327325064
EOS-2-39524,Fc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)ncc2F)cn1,DUUOSAQDFWCXPS-UHFFFAOYSA-N,2,1,0.427,6,280,484.426,4.156,6,0.321,0.68,0.816,0.6911452265094922,0.6161075320402988,0.690168597080392,0.6331385785758344,0.6576399835515044
EOS-2-39525,Fc1ccc(-c2nocc2COc2cncc3nnc(-c4ccc(-c5ccncn5)c(F)n4)n23)cc1,OCUZAJTWIVQIKG-UHFFFAOYSA-N,2,1,0.423,28,414,484.426,4.156,6,0.321,0.61,1.0,0.6336525940648345,0.5163713933246522,0.6307569734768008,0.6272016996778836,0.6019956651360427
EOS-2-39526,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)no2)c(F)c1,PWRWPZUCBQIVAQ-UHFFFAOYSA-N,2,1,0.5,40,147,484.426,4.156,6,0.343,0.72,1.0,0.7458793091631828,0.6589078884243712,0.5851980673017614,0.6003529573024468,0.6475845555479406
EOS-2-39527,Fc1cc(F)c(-c2nnc3cncc(OCc4cccnn4)n23)cc1-c1nnc(-c2ccccc2)o1,GWEJYBFASJDFRU-UHFFFAOYSA-N,2,1,0.478,81,897,484.426,4.156,6,0.343,0.64,1.0,0.70017476526626,0.6735059283119731,0.552686587622507,0.5631211020492084,0.6223720958124871
EOS-2-39528,COc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2F)cn1,OESDMRIUNSBIIK-UHFFFAOYSA-N,2,1,0.314,3,192,484.426,4.252,6,0.354,0.65,1.0,0.5943732437804126,0.5163799602494689,0.7370468096771983,0.6766842574189569,0.6311210677815091
EOS-2-39529,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)c2)cc1F,QRKKGAZPCSXASZ-UHFFFAOYSA-N,2,1,0.429,28,218,484.426,4.156,6,0.343,0.73,0.963,0.5573726954972243,0.4580820368720444,0.6546586937153039,0.6477109176889864,0.5794560859433897
EOS-2-39530,Fc1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cc2F)c1,JSDCYTFZHIPXOP-UHFFFAOYSA-N,2,1,0.516,40,120,484.426,4.156,6,0.343,0.64,1.0,0.6940494140223425,0.6110616133232815,0.684754300596258,0.647719484613803,0.6593962031389213
EOS-2-39531,COc1c(F)ccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)nn1,VMJQHXZAUOTQTI-UHFFFAOYSA-N,2,1,0.33,10,872,484.43,3.178,6,0.363,0.54,0.976,0.12243848947981632,0.307458364745391,0.3455554794051127,0.36184120348159826,0.2843233842779796
EOS-2-39532,COc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)cn5)n34)n2)cn1,PGZFWRJXZIXUKB-UHFFFAOYSA-N,2,1,0.298,10,952,484.43,3.178,6,0.363,0.65,0.998,0.1363940100061682,0.30746693167020767,0.4120690836817216,0.43481426906997467,0.32268607360701806
EOS-2-39533,FC(F)Oc1ccc(-c2nnc3cncc(-c4cncnc4-n4ccc(-c5cccnn5)n4)n23)cc1,PMWRKRSRDLYTAF-UHFFFAOYSA-N,2,1,0.402,98,887,484.43,3.492,6,0.35,0.64,0.919,0.11972277431293263,0.28705194983208826,0.5727674593927764,0.563129668974025,0.3856679631279556
EOS-2-39534,Cn1cc(-c2cnc(-c3nnc4cncc(-c5nccnc5Oc5ccc(F)c(F)c5)n34)cn2)cn1,JEELRRGWHVCFFN-UHFFFAOYSA-N,2,1,0.385,86,72,484.43,3.509,6,0.362,0.63,0.997,0.35007881570831334,0.37077650606538276,0.47023850318689603,0.4567027619765609,0.4119491467342883
EOS-2-39535,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)cc1F,IBROPWXZBDKJCD-UHFFFAOYSA-N,2,1,0.505,40,893,484.43,3.286,6,0.378,0.69,1.0,0.622447056404633,0.5581951202796245,0.6280069906106504,0.5945360153519292,0.6007962956617093
EOS-2-39536,FC(F)Oc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,LYSDUPUZBKQFKX-UHFFFAOYSA-N,2,1,0.333,38,167,484.43,3.697,6,0.376,0.63,1.0,0.45913576862449457,0.47570420121993007,0.6657442944280721,0.5945445822767459,0.5487822116373107
EOS-2-39537,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)c(F)c1,BYPSQONXTCAASJ-UHFFFAOYSA-N,2,1,0.452,40,288,484.43,3.081,6,0.351,0.57,1.0,0.4221095195668563,0.4318158453841409,0.36080460557878147,0.4348228359947913,0.41238820163114254
EOS-2-39538,FC(F)Oc1ccccc1-n1nnc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)n1,MBWKOEZISADLEK-UHFFFAOYSA-N,2,1,0.385,30,158,484.43,3.492,6,0.35,0.63,0.909,0.19428928791720923,0.2924148447673223,0.3721814817353163,0.4440322801727092,0.32572947364813926
EOS-2-39539,Fc1ccc(-n2nnnc2COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1F,MKOYKAXQYCUQDX-UHFFFAOYSA-N,2,1,0.462,56,807,484.43,3.081,6,0.351,0.67,1.0,0.4810756630799808,0.5257350421492701,0.5012165033239668,0.5663936673291755,0.5186052189705983
EOS-2-39540,Fc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)ncc2F)n1,UOSGTQISMLNNGD-UHFFFAOYSA-N,2,1,0.429,56,611,484.43,3.286,6,0.354,0.65,1.0,0.8217479953395929,0.6392382290453019,0.3645312178740319,0.36495956411486535,0.547619251593448
EOS-2-39541,Fc1cccc(F)c1-c1cc(-c2nnc3cncc(OCc4ccc(-n5cnnn5)nc4)n23)ccn1,UPGPYBYKOYZINR-UHFFFAOYSA-N,2,1,0.457,59,247,484.43,3.081,6,0.351,0.68,1.0,0.42211808649167293,0.3564526077719142,0.5788499760126106,0.5822596120896443,0.4849200705914605
EOS-2-39542,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cnc1F,JMVXRLPKLHYTRD-UHFFFAOYSA-N,2,1,0.443,56,425,484.43,3.286,6,0.354,0.75,1.0,0.6940579809471592,0.567233225961209,0.5658967856898088,0.5065965321088343,0.5834461311767528
EOS-2-39543,Cn1nc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nn2)nc1C(F)F,OLBCKAZWIIBZPY-UHFFFAOYSA-N,2,1,0.3,98,882,484.434,2.833,6,0.359,0.71,0.911,0.12244705640463299,0.19601123980535948,0.13667671852511823,0.1673634432184223,0.15562461448838324
EOS-2-39544,CC(O)(c1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1)c1nnco1,YQRTYHPAIWDNHL-UHFFFAOYSA-N,2,1,0.409,71,117,484.436,1.849,6,0.347,0.53,1.0,0.37994311561921734,0.3804999657323007,0.15196867932287025,0.06583681721609211,0.24456214447262012
EOS-2-39545,COc1cc(-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)ccc1-c1nnn(C)n1,XXXGPLSRWBFRER-UHFFFAOYSA-N,2,1,0.417,71,614,484.44,1.409,6,0.319,0.61,1.0,0.26539476389555205,0.1320505791241176,0.03136351175382085,0.015437598519635392,0.11106161332328147
EOS-2-39546,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(F)c(F)c6)cc5F)n34)cc2)o1,PWHACGXIZUJGFM-UHFFFAOYSA-N,2,1,0.342,69,30,484.441,5.901,6,0.29,0.64,1.0,0.4291857994654239,0.6161160989651154,0.9521708587485436,0.9410167226372421,0.7346223699540813
EOS-2-39547,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)c(F)c1F,OHADZMBKFACDLB-UHFFFAOYSA-N,2,1,0.495,57,994,484.441,5.398,6,0.305,0.56,1.0,0.9463196490987595,0.9552720855321774,0.9534901651703105,0.9500805290932767,0.9512906072236309
EOS-2-39548,Cn1cc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4F)n23)c(-c2ccnc(F)c2)n1,UQRLSFVJLCVUEO-UHFFFAOYSA-N,2,1,0.293,3,192,484.445,4.733,6,0.336,0.65,0.932,0.11721266534164897,0.292423411692139,0.8242838050853266,0.8419830717565623,0.5189757384689192
EOS-2-39549,Fc1cc(-c2nnc3cncc(-c4cnn(-c5nccc(C(F)F)n5)c4)n23)ccc1-c1ccccc1,GJRHXYOTEGHFTO-UHFFFAOYSA-N,2,1,0.304,3,668,484.445,5.178,6,0.335,0.71,0.999,0.014169693646768556,0.25586834349941745,0.857206497155781,0.8544308135151806,0.4954188369542869
EOS-2-39550,Fc1cn(C(F)F)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,PJDMHIDUAOWETA-UHFFFAOYSA-N,2,1,0.305,38,787,484.445,5.313,6,0.33,0.71,1.0,0.1744996915907066,0.40429031594818726,0.8527516962511137,0.8278819135083271,0.5648559043245837
EOS-2-39551,FC(F)(F)c1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c2)c[nH]1,OVOTYNJDBIVFMX-UHFFFAOYSA-N,2,1,0.308,9,171,484.445,5.324,6,0.364,0.66,1.0,0.25711911452265096,0.32263895552052635,0.9549379754643273,0.9125659653210884,0.6118155027071482
EOS-2-39552,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)cc1F,WTSFBOZLAUSMFT-UHFFFAOYSA-N,2,1,0.343,3,783,484.445,4.827,6,0.356,0.62,0.995,0.020534918785552737,0.297452196559523,0.7902645466383387,0.8456925502021794,0.48848605304639847
EOS-2-39553,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5c(F)cccc5F)c(F)c4)n23)nc1,CUTLBDOOZVGXRR-UHFFFAOYSA-N,2,1,0.325,32,572,484.445,4.733,6,0.36,0.65,1.0,0.2218405181276129,0.3994757042012199,0.839772805153862,0.8474145020903296,0.5771258823932561
EOS-2-39554,Cn1c(-c2ccc(F)c(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cn4)cc3)n12,GZSVQVXMIFFZSX-UHFFFAOYSA-N,2,1,0.355,3,474,484.445,4.733,6,0.36,0.77,1.0,0.23857172229456514,0.48027893907203073,0.7541035569871839,0.8278904804331437,0.5752111746967309
EOS-2-39555,Cn1nc(-c2ccc(F)c(F)c2)nc1-c1cncc2nnc(-c3ccc(-c4cccc(F)n4)cc3)n12,UXRKZWPZBOEQDT-UHFFFAOYSA-N,2,1,0.337,3,192,484.445,4.733,6,0.336,0.53,1.0,0.27072339113151944,0.47120656569117947,0.7346223699540813,0.7943252690014393,0.5677193989445548
EOS-2-39556,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3cncc(-c4cnn(C(F)F)c4)n3)n12,ICNWCYLSGDHABI-UHFFFAOYSA-N,2,1,0.341,30,594,484.445,5.313,6,0.33,0.64,1.0,0.1832293879788911,0.39948427112603657,0.8901720238503187,0.8891696936467686,0.5905138441505038
EOS-2-39557,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccc5F)c(F)c4)n23)c1,AKXQVOUSUTWCAL-UHFFFAOYSA-N,2,1,0.392,83,228,484.445,4.733,6,0.36,0.7,1.0,0.2358731409773148,0.4227434720032897,0.8618069357823316,0.8999468850661366,0.6050926084572682
EOS-2-39558,FC(F)(F)n1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,IJKMHJMPIKGNFD-UHFFFAOYSA-N,2,1,0.355,93,774,484.445,5.255,6,0.34,0.78,0.998,0.23588170790213145,0.32719655952299365,0.9311047906243575,0.9059008978137207,0.6000209889658008
EOS-2-39559,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(F)cc(F)c6F)nn5)n34)cc2)n1,ISAWUUGAHOTFRI-UHFFFAOYSA-N,2,1,0.3,3,783,484.445,4.827,6,0.333,0.67,1.0,0.0659481872387088,0.26633712562538553,0.8512524844081968,0.8595538345555479,0.5107729079569597
EOS-2-39560,Cn1ccnc1-c1cnc(F)c(-c2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccc4F)n23)c1,GXPFPABQCDAEJO-UHFFFAOYSA-N,2,1,0.307,42,287,484.445,4.733,6,0.336,0.68,1.0,0.292474813241039,0.3994928380508533,0.8445274484271126,0.8492906586251799,0.5964464395860463
EOS-2-39561,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(C(F)(F)F)nn5C)n34)cn2)c(C)n1,LAAKIWIITYHULO-UHFFFAOYSA-N,2,1,0.406,92,986,484.446,3.104,5,0.361,0.64,1.0,0.4268384620656569,0.4757127681447468,0.19032280172709204,0.08566924816667809,0.2946358200260435
EOS-2-39562,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(-c6cnnn6C)c5)n34)n2)no1,TWXLZMDRYCOUPI-UHFFFAOYSA-N,2,1,0.459,4,247,484.455,3.058,6,0.347,0.65,1.0,0.42440545541772323,0.5029641559865671,0.1773696114042903,0.16479336577342196,0.31738314714550064
EOS-2-39563,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6noc(C)n6)cn5)n34)cc2F)n[nH]1,XKTKVAVMUAINDK-UHFFFAOYSA-N,2,1,0.439,7,212,484.455,3.356,6,0.373,0.59,1.0,0.5767767802069769,0.562718456582825,0.19719347543005963,0.17007059146048933,0.37668982592008776
EOS-2-39564,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncnn6C)cc5F)n34)cn2)o1,VMWQDSBOMOXJLI-UHFFFAOYSA-N,2,1,0.429,6,843,484.455,3.058,6,0.347,0.64,0.999,0.5241158933589198,0.4802875059968474,0.21451579740936194,0.16480193269823865,0.34593028236584195
EOS-2-39565,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cncc(F)c6)nc5)n34)n(C)n2)o1,MLTPBIGNGPCBPS-UHFFFAOYSA-N,2,1,0.408,6,843,484.455,3.058,6,0.347,0.6,0.997,0.4810842300047975,0.4669231032828456,0.14879891714070317,0.13701939551778494,0.3084564114865328
EOS-2-39566,Cc1onnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)nn1,AYNMWVDJUIVCTR-UHFFFAOYSA-N,2,1,0.433,71,820,484.455,3.058,6,0.347,0.57,1.0,0.45688266739771094,0.5393136179836886,0.20427832225344392,0.1947005003084093,0.34879377698581315
EOS-2-39567,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(-c6nnco6)n5)n34)cn2)cn1,DTHYTAJRCPYYBH-UHFFFAOYSA-N,2,1,0.461,6,549,484.455,2.792,6,0.333,0.63,0.999,0.5160372832568021,0.4449061065040093,0.18045370433829072,0.15953327393598793,0.3252325920087725
EOS-2-39568,CCn1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6nnc(C)o6)cc5F)n34)cn2)cn1,HFLUAOJHFWWPIK-UHFFFAOYSA-N,2,1,0.356,71,549,484.455,3.755,6,0.344,0.64,1.0,0.4128915084641217,0.4404170379000754,0.2145243643341786,0.15688609416763757,0.3061797512165033
EOS-2-39569,Cn1cnnc1-c1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)o1,WNEHSVFFCWJNRD-UHFFFAOYSA-N,2,1,0.396,18,840,484.455,2.792,6,0.333,0.56,1.0,0.5445223082722226,0.3660218627921321,0.14880748406551983,0.1489531217874032,0.3020761942293194
EOS-2-39570,Cn1cnnc1-c1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccn2)no1,FIJAENCGUMCOEO-UHFFFAOYSA-N,2,1,0.506,75,583,484.455,2.792,6,0.311,0.66,1.0,0.5658025495168254,0.48426255911178123,0.19380097320265918,0.18651052018367487,0.3575941505037351
EOS-2-39571,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(-c6ccc(F)nn6)o5)n34)cc2)n1,NKVTXFJUNIFSDA-UHFFFAOYSA-N,2,1,0.489,67,415,484.455,2.792,6,0.333,0.62,1.0,0.6821585223768076,0.5922572133506956,0.12763004591871702,0.11501096566376534,0.3792641868274964
EOS-2-39572,Cn1cnnc1-c1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)o1,BMYPQOCBXSREJF-UHFFFAOYSA-N,2,1,0.527,75,904,484.455,2.792,6,0.333,0.7,1.0,0.6169899252964156,0.444914673428826,0.17419128229730657,0.167372010143239,0.3508669727914468
EOS-2-39573,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnnn6C)nc5)n34)c(F)c2)cn1,XLZKASOWNTWVKT-UHFFFAOYSA-N,2,1,0.423,92,549,484.459,1.89,6,0.344,0.71,1.0,0.39771091768898637,0.4182801041738058,0.11938009732026592,0.1078061818929477,0.2607943252690014
EOS-2-39574,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnn(C)n6)n5)n34)c(F)c2)n1,CUBOCNPQZIYOII-UHFFFAOYSA-N,2,1,0.474,71,415,484.459,1.89,6,0.344,0.54,1.0,0.41290007538893836,0.5117795216229183,0.06801281611952574,0.06118497704064149,0.26346934754300594
EOS-2-39575,COCc1cncc2nnc(-c3ccnc(-c4nc(-c5ccc(OC(F)(F)F)cc5)cs4)c3)n12,KGZGWSQLUPRIPC-UHFFFAOYSA-N,2,1,0.453,14,121,484.463,5.022,5,0.334,0.72,1.0,0.6252141731204167,0.7357018024809814,0.9121376190802549,0.8319255020217943,0.7762447741758619
EOS-2-39576,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)cc5)nc4)n23)c1,CBDCEHBCESSHRL-UHFFFAOYSA-N,2,1,0.647,79,640,484.466,4.948,5,0.307,0.83,1.0,0.9644729627852786,0.9649098759509287,0.9502861352888767,0.9264443835240902,0.9515283393872936
EOS-2-39577,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(C(F)(F)F)n5)n34)ccn2)s1,BCOUKSMDVASLQW-UHFFFAOYSA-N,2,1,0.505,75,661,484.467,4.049,5,0.356,0.64,1.0,0.5913833870193955,0.6784404770063738,0.6519686793228703,0.4661263792748955,0.5969797306558837
EOS-2-39578,FC(F)(CCn1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cn1)c1ccccc1,QPXFGZQJEZSOQH-UHFFFAOYSA-N,2,1,0.298,3,340,484.47,4.887,6,0.318,0.65,1.0,0.16102391885408815,0.19601980673017613,0.8495562332944966,0.7987286683572065,0.5013321568089918
EOS-2-39579,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnn(C(F)F)c6)cc5)n34)cc2)cn1,DQCDUJKUUNJZQD-UHFFFAOYSA-N,2,1,0.568,41,722,484.47,5.243,6,0.321,0.71,1.0,0.4910389966417655,0.5771537248989103,0.8868737577959016,0.8094544582276746,0.691130234391063
EOS-2-39580,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6ccc(F)c(F)c6)nn5C)n34)cc2)cn1,ZUCMDUMPEHGCOE-UHFFFAOYSA-N,2,1,0.444,67,622,484.47,4.663,6,0.354,0.67,1.0,0.5600027414159413,0.6441727777397026,0.8113648824617915,0.7504626139401,0.6915007538893838
EOS-2-39581,Cn1cc(-c2nnc3cncc(Oc4ccc(-c5nncn5C)cc4F)n23)cc1-c1ccc(F)cc1,AAPFUVZVPNAPRI-UHFFFAOYSA-N,2,1,0.462,67,722,484.47,4.663,6,0.354,0.69,1.0,0.44999485984511,0.6544188198204373,0.7818689603180042,0.7660972517305188,0.6630949729285176
EOS-2-39582,Cn1cc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6cc(F)cc(F)c6)cc5)n34)n(C)n2)cn1,YLIAXNPXILJEGK-UHFFFAOYSA-N,2,1,0.448,67,622,484.47,4.663,6,0.354,0.7,1.0,0.419770749091906,0.5672417928860256,0.7797186621890206,0.7401651703104654,0.6267240936193544
EOS-2-39583,CCn1nc(-c2ccc(F)cc2)cc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3F)n12,CDPHHCHIMVOIFK-UHFFFAOYSA-N,2,1,0.37,83,417,484.47,5.135,6,0.352,0.63,1.0,0.5134757727366185,0.6784490439311904,0.6794770749091906,0.6855681584538414,0.6392425125077102
EOS-2-39584,CCn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5F)n34)cn2)cn1,VMCPHVLREIAZIU-UHFFFAOYSA-N,2,1,0.275,86,151,484.474,3.81,6,0.343,0.59,0.999,0.19162497429922554,0.21512404907134536,0.37605373175245016,0.35489342745528063,0.2844240456445754
EOS-2-39585,Cc1nc(-c2nnc3cncc(-c4ccc(-c5ccccc5)s4)n23)n(C(C)(C)C)n1,VJABJLRQXCLXOM-UHFFFAOYSA-N,2,1,0.284,52,423,415.526,4.842,5,0.421,0.66,1.0,0.020543485710369406,0.029778630662737303,0.04077856212733877,0.0289819066547872,0.03002064628880817
EOS-2-39586,Cn1nncc1-c1cc(-c2cncc3nnc(-c4c(-c5ccccc5)nn(C)c4C(F)F)n23)ccn1,UEYAPWQWUNITCD-UHFFFAOYSA-N,2,1,0.33,98,342,484.474,3.987,6,0.364,0.58,0.995,0.09661777808237955,0.14664861901171955,0.35705229250908094,0.37139332465218283,0.2429280035638407
EOS-2-39587,Cc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5)n34)cn2)n(C(F)F)n1,AIUILOCOZJZJBU-UHFFFAOYSA-N,2,1,0.301,98,167,484.474,4.216,6,0.361,0.57,1.0,0.16642108148858886,0.23535055856349804,0.5560619560002742,0.4599324926324447,0.35444152217120145
EOS-2-39588,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6csnn6)nc5)n34)nc2)nn1,BMSJVNUXGWOGRF-UHFFFAOYSA-N,2,1,0.467,6,826,484.48,3.275,6,0.347,0.63,1.0,0.40833390446165446,0.48029607292166404,0.28712905215543827,0.2712117058460695,0.36174268384620656
EOS-2-39589,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCc4ncc(-c5csnn5)cn4)n23)cc1,AYKQDQGSSMYWCJ-UHFFFAOYSA-N,2,1,0.446,94,518,484.48,3.275,6,0.347,0.65,1.0,0.445043177301076,0.5075645946131176,0.24318072784593242,0.28599821807963816,0.37044667945994103
EOS-2-39590,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3cncc(-c4cscn4)n3)n12,NZZAFYCRFPDXKY-UHFFFAOYSA-N,2,1,0.412,80,34,484.48,3.275,6,0.325,0.56,1.0,0.5267459392776369,0.571850798437393,0.15479576451237065,0.1540590089781372,0.3518628778013844
EOS-2-39591,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnn6)s5)n34)cn2)nc1,YXXJDKYVHABNKH-UHFFFAOYSA-N,2,1,0.442,6,843,484.48,3.275,6,0.347,0.64,1.0,0.5419436639024056,0.5771622918237269,0.2114145706257282,0.2327290795695977,0.3908124014803646
EOS-2-39592,c1ccc(-n2nccc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nn2)nc1,ANSMQORYPCODCP-UHFFFAOYSA-N,2,1,0.288,30,270,484.483,4.151,7,0.354,0.63,1.0,0.028279418819820438,0.03879960249468851,0.26117983688575147,0.27401309026111986,0.15056798711534508
EOS-2-39593,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6nnn(-c7ccccc7)n6)o5)n34)cc2)cc1,AFKZGPFLHXTWFF-UHFFFAOYSA-N,2,1,0.325,93,689,484.483,4.151,7,0.354,0.66,0.903,0.0552994996915907,0.1057329860873141,0.11663868137893221,0.2209409910218628,0.12465303954492496
EOS-2-39594,C=CCOc1cncc2nnc(-c3ccc(-c4nc(-c5ccc(F)cc5)cc(=O)n4C)c(OC)c3)n12,CJCQMWOVXVTSOM-UHFFFAOYSA-N,2,1,0.468,91,955,484.491,3.932,5,0.323,0.67,1.0,0.8058820505791241,0.6882924405455417,0.48772359673771504,0.39362449455143583,0.5938806456034542
EOS-2-39595,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ncc(F)cc5F)s4)n23)cc1,NMRAGYGLCMFALU-UHFFFAOYSA-N,2,1,0.326,3,641,484.495,5.02,6,0.347,0.69,1.0,0.2678791720923857,0.4136710986224385,0.42712117058460697,0.5136042766088684,0.4055689294770749
EOS-2-39596,Cc1nnc(-c2ccc(F)c(-c3cncc4nnc(-c5cccc(-c6cncc(F)c6)n5)n34)c2)s1,PKOXBYIQEDZRQZ-UHFFFAOYSA-N,2,1,0.271,32,693,484.495,5.02,6,0.347,0.65,1.0,0.19163354122404222,0.322647522445343,0.5691779178945926,0.6272102666027003,0.4276673120416695
EOS-2-39597,Cc1snnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)nc4)n23)cc1F,AOJZRRCYKXKTBT-UHFFFAOYSA-N,2,1,0.324,42,693,484.495,5.02,6,0.324,0.69,0.755,0.1610324857789048,0.29746076348433964,0.6194314988691659,0.6589592899732712,0.4342210095264204
EOS-2-39598,FC(F)c1ccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cn1,QHZZTYOKOHLETR-UHFFFAOYSA-N,2,1,0.325,38,983,484.495,5.371,6,0.325,0.64,1.0,0.15829963676238779,0.3564611746967309,0.6741056130491399,0.6185919402371325,0.45186459118634775
EOS-2-39599,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)s4)n23)cc1,NXQZKQOJNZEWKH-UHFFFAOYSA-N,2,1,0.538,89,731,415.503,5.032,5,0.402,0.78,1.0,0.8005191556438901,0.7957730792954562,0.7632701665410184,0.7428637516277157,0.7756065382770201
EOS-2-39600,Fc1ccc(-c2nnc3cc(-c4cncc5nnc(-c6ccc(-c7ccccc7)nc6)n45)ccn23)cc1,PFZUKQINTHYGRC-UHFFFAOYSA-N,2,1,0.385,93,220,484.498,5.369,7,0.334,0.78,1.0,0.36610753204029883,0.43637344938660816,0.7110633267082448,0.7919179631279556,0.5763655678157769
EOS-2-39601,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc7ccccn67)n5)n34)cc2)c1,IUZOCYPDYXBSCD-UHFFFAOYSA-N,2,1,0.353,93,651,484.498,5.369,7,0.334,0.72,1.0,0.26279041875128506,0.3417346309368789,0.6519772462476869,0.7555513672812008,0.503013415804263
EOS-2-39602,Fc1ccc(-c2nc3ccccc3nc2-c2nnc3cncc(-c4ccc(-n5cccn5)cc4)n23)cc1,IMKJRMQNADLVQH-UHFFFAOYSA-N,2,1,0.311,30,93,484.498,5.393,7,0.333,0.81,1.0,0.021468713590569528,0.1546158590912206,0.607463504900281,0.7048523062161607,0.37210009594955795
EOS-2-39603,Fc1ccc(-c2nc3nc(-c4cncc5nnc(-c6ccc(-c7ccccc7)cn6)n45)ccc3[nH]2)cc1,HZLDTCZHUQNOJW-UHFFFAOYSA-N,2,1,0.275,93,737,484.498,5.598,7,0.349,0.8,0.984,0.14440408470975258,0.312589952710575,0.6712356932355562,0.7582670824480844,0.471624203275992
EOS-2-39604,CCc1nc(-c2nnc3cncc(OCc4csc(-c5cnccn5)n4)n23)ccc1-c1nnco1,BASXAVOFCXCDPN-UHFFFAOYSA-N,2,1,0.37,6,843,484.505,3.291,6,0.329,0.52,0.777,0.23858028921938182,0.2304674114179974,0.025786443698170104,0.01947262010828593,0.12857669111095882
EOS-2-39605,Cc1nc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6csc(C)n6)cn5)n34)n2)no1,VROKXEMMWMJKGP-UHFFFAOYSA-N,2,1,0.36,6,34,484.505,3.346,6,0.343,0.63,0.998,0.3160338564868755,0.25099376327873346,0.028022411075320403,0.016585566445068877,0.1529088993214996
EOS-2-39606,COc1cccnc1-c1nnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)s1,ANPVVRNOHILYJV-UHFFFAOYSA-N,2,1,0.454,56,425,484.505,3.078,6,0.359,0.67,1.0,0.33829072716057845,0.35646974162154754,0.05622472757179083,0.0420464670002056,0.19825791583853064
EOS-2-39607,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)nn2)no1,SESDKXHOQVURHF-UHFFFAOYSA-N,2,1,0.466,56,415,484.505,3.346,6,0.343,0.66,1.0,0.37062230141868274,0.3707850729901994,0.02682304160098691,0.020226509492152697,0.19711423137550543
EOS-2-39608,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6csnn6)nn5)n34)cc2)n(C)n1,VEMRKHQDLCQHOK-UHFFFAOYSA-N,2,1,0.427,71,614,484.509,2.178,6,0.342,0.57,1.0,0.25998903433623466,0.220109999314646,0.014486669864985265,0.010974230690151464,0.12638998355150435
EOS-2-39609,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)cs1,HFMRCPKZKZAPGK-UHFFFAOYSA-N,2,1,0.565,58,393,415.482,3.635,5,0.418,0.81,1.0,0.6057672537865808,0.5489428414776232,0.23250633952436434,0.1838976081145912,0.39277851072578984
EOS-2-39610,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)s1,YIGNMPGMUUKHDJ-UHFFFAOYSA-N,2,1,0.55,15,361,415.482,3.635,5,0.418,0.73,1.0,0.6514032622849701,0.48897436776094855,0.2683674868069358,0.22686073607018026,0.4089014632307587
EOS-2-39611,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)n1,QRQGRGMHSZZAQJ-UHFFFAOYSA-N,2,1,0.531,75,530,415.482,3.635,5,0.418,0.65,1.0,0.6084058666301144,0.39950140497566994,0.2359759440751148,0.19750188472345967,0.36034627510108974
EOS-2-39612,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)cn2)cn1,FGWPDPDWBRZGGS-UHFFFAOYSA-N,2,1,0.605,87,579,415.482,3.635,5,0.418,0.81,1.0,0.754643273250634,0.6589164553491879,0.19380954012747584,0.1595418408608046,0.44172777739702557
EOS-2-39613,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ccn2)c(C)n1,UOIHBBBIDCBUPZ-UHFFFAOYSA-N,2,1,0.58,7,567,415.482,3.901,5,0.43,0.71,1.0,0.379951682544034,0.3660304297169488,0.22505311493386335,0.15689466109245426,0.28198247207182514
EOS-2-39614,Cc1ccnc(COc2cncc3nnc(-c4cccc(-c5nnc(C)s5)c4)n23)c1,ZAQMOSZJNUMTCL-UHFFFAOYSA-N,2,1,0.518,72,506,415.482,3.901,5,0.43,0.73,1.0,0.28136351175382085,0.32265608937015966,0.20080871770269343,0.1569032280172709,0.24043288671098617
EOS-2-39615,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5sncc5C)n34)ccn2)cn1,DVHBLGKRYMONFB-UHFFFAOYSA-N,2,1,0.57,75,939,415.482,3.901,5,0.43,0.7,1.0,0.32080563360975944,0.3125985196353917,0.23598451099993145,0.18130182989514085,0.2626726235350558
EOS-2-39616,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)n1,HHHFJHGJQDLBJQ-UHFFFAOYSA-N,2,1,0.495,65,981,415.482,3.635,5,0.418,0.64,1.0,0.6729576451237064,0.5439825920087725,0.232514906449181,0.18943184154615858,0.4097217462819546
EOS-2-39617,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)cs1,JNRKIHGEWBKNPP-UHFFFAOYSA-N,2,1,0.613,75,583,415.482,3.635,5,0.418,0.78,1.0,0.5767853471317935,0.3805085326571174,0.23977109176889863,0.18944040847097526,0.34662634500719625
EOS-2-39618,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)s1,NDGGUSBNPMFKGM-UHFFFAOYSA-N,2,1,0.605,72,628,415.482,3.635,5,0.418,0.76,1.0,0.5658111164416421,0.42712117058460697,0.1972020423548763,0.17550202179425672,0.3414090877938455
EOS-2-39619,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cccs5)n34)c2)n1,QIWOOMDSOGNQKA-UHFFFAOYSA-N,2,1,0.565,87,858,415.482,3.635,5,0.418,0.7,1.0,0.7186193543965458,0.4842711260365979,0.23252347337399767,0.2003889383866767,0.4089507230484545
EOS-2-39620,Cc1nc(-c2cnc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)cs1,JMEMQYRKDBFCKN-UHFFFAOYSA-N,2,1,0.566,58,54,415.482,3.635,5,0.418,0.75,1.0,0.5267545062024536,0.30236104447947365,0.14566342265780274,0.14401000616818588,0.27969724487697895
EOS-2-39621,Cc1cncc(-c2cccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)c2)n1,WARDHCKRDKZKJL-UHFFFAOYSA-N,2,1,0.5,4,506,415.482,3.901,5,0.43,0.7,1.0,0.3030378315399904,0.3074754985950243,0.17419984922212323,0.13268453156055102,0.22934942772942227
EOS-2-39622,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)s1,XLXHFWNHVFGPLB-UHFFFAOYSA-N,2,1,0.603,72,628,415.482,3.635,5,0.418,0.74,1.0,0.597174628195463,0.47572133506956343,0.17420841614693988,0.1622318552532383,0.35233405866630113
EOS-2-39623,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)ccn2)cn1,RFVLEUWGWHYRNH-UHFFFAOYSA-N,2,1,0.625,75,819,415.482,3.635,5,0.418,0.78,1.0,0.6940665478719759,0.5212459735453362,0.2008172846275101,0.1648104996230553,0.3952350764169693
EOS-2-39624,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)cn1,XBDGTOQTSAUPAI-UHFFFAOYSA-N,2,1,0.544,75,530,415.482,3.635,5,0.418,0.71,1.0,0.5855236104447947,0.40880508532657117,0.2467274347200329,0.19470906723322595,0.3589412994311562
EOS-2-39625,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(F)cc5)n4)n23)cc1,ZHMXUNFDTVIKED-UHFFFAOYSA-N,2,1,0.523,67,755,484.52,4.428,6,0.345,0.76,1.0,0.5855321773696114,0.6687512850387225,0.4120776506065383,0.412574532245905,0.5197339113151943
EOS-2-39626,CCn1nc(-c2ccc(F)cc2)cc1Oc1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,FGKVRGHDUILUSG-UHFFFAOYSA-N,2,1,0.457,77,937,484.52,5.125,6,0.324,0.7,1.0,0.4333407580015078,0.5532434377355905,0.4419762182167089,0.45365293674182716,0.47055333767390856
EOS-2-39627,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)ccc2F)cn1,VHFCHJVNMDCFHV-UHFFFAOYSA-N,2,1,0.56,77,245,484.52,4.428,6,0.345,0.69,1.0,0.6851569460626413,0.6491415941333699,0.6741141799739565,0.609579535329998,0.6544980638749915
EOS-2-39628,Cn1nc(-c2ccsc2)nc1COc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)cc3)n12,XZCXFLSNUIYABB-UHFFFAOYSA-N,2,1,0.466,40,25,484.52,4.428,6,0.323,0.63,1.0,0.59985607566308,0.5824566513604277,0.31995750805290935,0.35187786991981357,0.4635370262490576
EOS-2-39629,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6ccccc6)n5)n34)cc2F)n1,UYHTUXUYFIWZOU-UHFFFAOYSA-N,2,1,0.511,77,177,484.52,4.428,6,0.345,0.75,1.0,0.5293331505722706,0.5824652182852443,0.3983020355013364,0.3907631416626688,0.47521588650538005
EOS-2-39630,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccc(F)cc6)ns5)n34)cc2)cn1,QBSXKGUMXOAWPU-UHFFFAOYSA-N,2,1,0.536,40,857,484.52,4.428,6,0.345,0.67,1.0,0.5212888081694195,0.6637567678706051,0.4271297375094236,0.4440408470975259,0.5140540401617435
EOS-2-39631,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(F)cc5)ns4)n23)cc1,VJRWXMSAPUEMAN-UHFFFAOYSA-N,2,1,0.523,40,857,484.52,4.428,6,0.345,0.72,1.0,0.6573829758070043,0.6637653347954219,0.4053097800013707,0.42510794325269,0.5378915084641217
EOS-2-39632,Cn1cc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)c2)nn1,WZVCVJQSDZPHSS-UHFFFAOYSA-N,2,1,0.5,77,120,484.52,4.428,6,0.345,0.73,1.0,0.5767939140566103,0.5347560139812213,0.5819597697210609,0.5302326776780207,0.5559355938592283
EOS-2-39633,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cc1,YWAMUVRXFJZNDZ-UHFFFAOYSA-N,2,1,0.645,1,230,415.478,3.986,5,0.451,0.82,1.0,0.8391388527174286,0.5489514084024398,0.7541121239120006,0.6736172983345898,0.7039549208416147
EOS-2-39634,COc1cc(-c2nnc3cncc(OCc4ccsc4)n23)ccc1-c1ccncc1,DVXLSILAVVXJFZ-UHFFFAOYSA-N,2,1,0.519,97,103,415.478,4.502,5,0.406,0.75,1.0,0.5343876362141046,0.38491193201288465,0.7009543554245768,0.5757658830786101,0.549004951682544
EOS-2-39635,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cc1,JLTUSHIAANYRNN-UHFFFAOYSA-N,2,1,0.575,97,744,415.478,3.986,5,0.451,0.76,1.0,0.5393050510588719,0.4757299019943801,0.7136248372284285,0.6390925913234186,0.5919380954012747
EOS-2-39636,COc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cc1,VRADIFALMKMKBI-UHFFFAOYSA-N,2,1,0.685,97,744,415.478,4.502,5,0.406,0.79,1.0,0.554725515728874,0.44492324035364267,0.6657528613528888,0.5400932081420053,0.5513737063943527
EOS-2-39637,CN1CCC(n2ncnc2-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)ccn2)CC1,MLJQJLOBJPWEBS-UHFFFAOYSA-N,2,1,0.402,31,986,484.528,1.518,6,0.332,0.73,1.0,0.06595675416352546,0.007735933109451031,0.0007453224590500993,0.0016020149407168802,0.019010006168185867
EOS-2-39638,Cc1c(-c2nnc3cncc(-c4ccc(-c5ccsc5)cc4F)n23)c(-c2ccc(F)cc2)nn1C,LQBJWUCBNUBBHH-UHFFFAOYSA-N,2,1,0.329,3,192,484.535,6.174,6,0.3,0.73,1.0,0.09662634500719622,0.32266465629497637,0.7680419436639024,0.8278990473579604,0.5038079980810088
EOS-2-39639,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4ccnn4C)n23)cn1,YFXUOYMAZNBCOF-UHFFFAOYSA-N,2,1,0.462,92,986,415.461,2.25,5,0.419,0.71,1.0,0.3030463984648071,0.18718730724419164,0.07454081282982661,0.03825131930642177,0.15075645946131178
EOS-2-39640,Cc1cc(COc2cncc3nnc(-c4cc(-c5cc(C)nn5C)n(C)n4)n23)ccn1,DPADUEOWPASLOG-UHFFFAOYSA-N,2,1,0.447,31,569,415.461,2.516,5,0.435,0.61,1.0,0.09893084778287986,0.0077445000342676994,0.08840209718319512,0.04321156877527243,0.05957225344390378
EOS-2-39641,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccn(C)n4)n23)c1,DEYDYJPOFFFWQL-UHFFFAOYSA-N,2,1,0.494,15,931,415.461,2.425,5,0.402,0.71,1.0,0.2545233363032006,0.15058083750257006,0.036606469741621545,0.028039544924953738,0.11743754711808649
EOS-2-39642,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2C)cn1,GKNHOZXDNBVJSQ-UHFFFAOYSA-N,2,1,0.505,31,569,415.461,2.425,5,0.402,0.71,0.984,0.11722123226646564,0.008421287094784456,0.04865156603385649,0.03182612569392091,0.05153005277225687
EOS-2-39643,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cn(C)nc4C)n23)c1,AQMTXVVDJPUZKP-UHFFFAOYSA-N,2,1,0.426,92,905,415.461,2.691,5,0.42,0.63,1.0,0.12804125830991708,0.09618943184154616,0.13060276883010075,0.06937495716537592,0.10605210403673498
EOS-2-39644,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccn4C)n23)nc1,IWNDRGFCGWEHEB-UHFFFAOYSA-N,2,1,0.4,31,905,415.461,2.425,5,0.402,0.68,0.99,0.24139024055924885,0.07984373929134397,0.059968473716674665,0.036109588102254814,0.10432801041738057
EOS-2-39645,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCCc4cncn4C)n23)c1,FPQPIWFCZVWESF-UHFFFAOYSA-N,2,1,0.402,31,544,415.461,2.25,5,0.419,0.69,0.692,0.16373106709615518,0.04256048248920567,0.09785998218079638,0.05247241450209033,0.08915598656706189
EOS-2-39646,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cn(C)cn4)n23)c1,PGWCESOXSFYLAS-UHFFFAOYSA-N,2,1,0.488,15,931,415.461,2.425,5,0.402,0.69,1.0,0.2924833801658557,0.13563155369748475,0.04218353779727229,0.03183469261873758,0.12553329106983757
EOS-2-39647,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ncn(C)n4)cc3)n12,IUTPTAXHNCLITH-UHFFFAOYSA-N,2,1,0.566,15,460,415.461,2.25,5,0.419,0.64,1.0,0.34768007675964635,0.2816547871975876,0.06603385648687547,0.037086217531354944,0.1831137344938661
EOS-2-39648,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)c1,WBEMAWVLKPGZSJ-UHFFFAOYSA-N,2,1,0.476,92,349,415.461,2.25,5,0.419,0.71,1.0,0.2545319032280173,0.10920259063806456,0.14567198958261943,0.08058049482557741,0.14749674456856965
EOS-2-39649,CCn1nccc1CCOc1cncc2nnc(-c3cc(-c4cnn(C)c4)ccn3)n12,YTOIWXLJSYCLGX-UHFFFAOYSA-N,2,1,0.413,92,711,415.461,2.425,5,0.402,0.68,1.0,0.08024638475772737,0.010879994517168118,0.06802138304434241,0.045875882393256115,0.0512559111781235
EOS-2-39650,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)ccn1,XNWZOELUPATAPL-UHFFFAOYSA-N,2,1,0.564,92,847,415.461,2.25,5,0.419,0.65,1.0,0.3080409156329244,0.12538551161675004,0.10815742581043108,0.059608662874374614,0.15029812898362005
EOS-2-39651,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)nc4)n23)n(C)n1,WPAWRFAKZIHNSC-UHFFFAOYSA-N,2,1,0.447,31,986,415.461,2.25,5,0.419,0.71,1.0,0.2953190322801727,0.16216331985470495,0.07242478240010966,0.04205503392502227,0.1429905421150024
EOS-2-39652,Cc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cncn5C)n(C)n4)n23)c1,DLXPPHHQWDRQHN-UHFFFAOYSA-N,2,1,0.427,31,569,415.461,2.25,5,0.419,0.68,0.997,0.14709409910218627,0.014126859022685217,0.07454937975464328,0.047306558837639644,0.07076922417928859
EOS-2-39653,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)c2)nn1C,MVGMRJSZKHTNBC-UHFFFAOYSA-N,2,1,0.592,15,460,415.461,2.25,5,0.419,0.71,1.0,0.3285072990199438,0.17466246316222328,0.048660132958673157,0.028048111849770407,0.14496950174765266
EOS-2-39654,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)cn2)cn1,KSMGSSDJHGOYCF-UHFFFAOYSA-N,2,1,0.482,92,468,415.461,2.425,5,0.402,0.76,1.0,0.2654033308203687,0.17467103008703996,0.10816599273524775,0.0642433692001919,0.1531209307107121
EOS-2-39655,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cc1,AFVLOZBASSLTHC-UHFFFAOYSA-N,2,1,0.347,69,220,415.46,4.91,6,0.442,0.74,1.0,0.12245562332944966,0.15058940442738675,0.7083904461654444,0.7292766088684806,0.42767802069769034
EOS-2-39656,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)cc1,LMWRLNUDQOQNPE-UHFFFAOYSA-N,2,1,0.276,30,737,415.46,4.706,6,0.417,0.82,0.995,0.002690014392433692,0.014135425947501884,0.597945651428963,0.6621290521554383,0.3192250359810842
EOS-2-39657,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)nc1,OBMRVGCSJWCCKF-UHFFFAOYSA-N,2,1,0.319,69,898,415.46,4.91,6,0.442,0.77,1.0,0.14159413336988555,0.14665718593653623,0.7292594750188472,0.740173737235282,0.43942113289013773
EOS-2-39658,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccccc5-n5ccnc5)n34)cn2)cc1,UONATFRWCGFKBU-UHFFFAOYSA-N,2,1,0.32,30,220,415.46,4.706,6,0.417,0.8,0.999,0.05209546981015695,0.04256904941402234,0.6463402097183195,0.6796055787814406,0.35515257693098484
EOS-2-39659,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]cn6)cc5)n34)nc2)cc1,AFZKSKUCYSZJSU-UHFFFAOYSA-N,2,1,0.357,93,651,415.46,4.91,6,0.442,0.73,1.0,0.14710266602700295,0.10574155301213077,0.7060174079912275,0.7349307792474813,0.4234481015694606
EOS-2-39660,c1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)cc1,WLPYIWYOBHDSKX-UHFFFAOYSA-N,2,1,0.368,93,991,415.46,4.706,6,0.417,0.79,1.0,0.008309917072167775,0.06551127407305873,0.5882907271605784,0.6796141457062573,0.3354315160030156
EOS-2-39661,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)cc2)cc1,WMOARAZVXQFKEW-UHFFFAOYSA-N,2,1,0.31,93,987,415.456,5.78,6,0.365,0.81,1.0,0.08025495168254404,0.07287882941539305,0.7966554725515729,0.8300150777876774,0.44495108285929685
EOS-2-39662,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)nc5)n34)cc2)cc1,GXIGCRXAMSGWHA-UHFFFAOYSA-N,2,1,0.397,93,651,415.456,5.78,6,0.365,0.89,1.0,0.15292817490233707,0.13205914604893426,0.8113734493866082,0.827907614282777,0.48106709615516413
EOS-2-39663,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cc5)n34)cc2)cc1,BKKZQMOOYOQESI-UHFFFAOYSA-N,2,1,0.403,21,810,415.456,5.78,6,0.365,0.78,1.0,0.2521845658282503,0.18282674251250772,0.8445360153519292,0.862749297512165,0.5355741553012131
EOS-2-39664,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cc2)cc1,JLPPJYUVJXBTKC-UHFFFAOYSA-N,2,1,0.41,21,810,415.456,5.78,6,0.365,0.83,1.0,0.26788773901720236,0.1546244260160373,0.8572150640805977,0.8708964430128161,0.5376559180316633
EOS-2-39665,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)cc1,GTWBMRRMYZIWSA-UHFFFAOYSA-N,2,1,0.333,69,958,415.456,5.78,6,0.365,0.75,1.0,0.12246419025426633,0.09619799876636283,0.770192241792886,0.8140206291549585,0.45071876499211844
EOS-2-39666,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)cc2)c1,ZASSBNLBLHFSNG-UHFFFAOYSA-N,2,1,0.354,69,958,415.456,5.78,6,0.365,0.8,1.0,0.13640257693098484,0.12168460009594956,0.8768504557604002,0.8865396477280515,0.5053693201288465
EOS-2-39667,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)cc1,VUADEFSTLLRYLR-UHFFFAOYSA-N,2,1,0.41,21,810,415.456,5.78,6,0.365,0.83,1.0,0.2678963059420191,0.15463299294085395,0.8572236310054143,0.8709050099376328,0.53766448495648
EOS-2-39668,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)cc5)n34)cc2)c1,KQUVIJYSEBYRGO-UHFFFAOYSA-N,2,1,0.328,69,958,415.456,5.78,6,0.365,0.8,1.0,0.1197313412377493,0.10575011993694744,0.8602648893153314,0.8693800973202659,0.4887816119525735
EOS-2-39669,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)nc2)cc1,HEOVIQOWFYOXNN-UHFFFAOYSA-N,2,1,0.314,69,958,415.456,5.78,6,0.365,0.75,1.0,0.0802635186073607,0.057578301692824345,0.8204029881433761,0.8528716331985471,0.45277911041052704
EOS-2-39670,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cc5)n34)cc2)cc1,MEJZWPSKCNTEKD-UHFFFAOYSA-N,2,1,0.403,21,810,415.456,5.78,6,0.365,0.81,1.0,0.25454047015283393,0.1871958741690083,0.822390514700843,0.8319340689466109,0.524015231992324
EOS-2-39671,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)cc1,STLXZVBGBHOYSJ-UHFFFAOYSA-N,2,1,0.379,93,651,415.456,5.78,6,0.365,0.84,1.0,0.15293674182715372,0.08342471386471112,0.8091374820094579,0.830023644712494,0.46888064560345416
EOS-2-39672,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cn2)cc1,ZJVNQNOHEVYELM-UHFFFAOYSA-N,2,1,0.397,69,695,415.456,5.78,6,0.365,0.84,1.0,0.12804982523473374,0.0962065656911795,0.8113820163114248,0.8259629223493935,0.4654003323966829
EOS-2-39673,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccco5)cc4)n23)cc1,TVOLJYCAGWQBGB-UHFFFAOYSA-N,2,1,0.348,69,695,415.456,5.78,6,0.365,0.73,1.0,0.11452265094921527,0.0655198409978754,0.7447656089370159,0.787240422178055,0.4280121307655404
EOS-2-39674,CCCOc1cccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6nccn6C)s5)n34)n2)c1,OYADFAORJDBIAQ-UHFFFAOYSA-N,2,1,0.28,76,652,484.545,4.759,6,0.319,0.79,0.998,0.15558392159550408,0.1122524158727983,0.0884106641080118,0.07316153793434309,0.10735213487766432
EOS-2-39675,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cn(Cc6ccsc6)nn5)n34)c2)cn1,ZRMAYDCEWIHJIV-UHFFFAOYSA-N,2,1,0.373,18,711,484.549,2.91,6,0.324,0.63,1.0,0.0780018504557604,0.04992803783153999,0.07881570831334384,0.07115687752724283,0.06947561853197176
EOS-2-39676,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nc(-c5cccs5)nn4C)n23)cn1,MPMIGFVIQATLGF-UHFFFAOYSA-N,2,1,0.412,65,502,484.549,3.065,6,0.34,0.72,0.999,0.32330717565622646,0.29746933040915635,0.0227537523130697,0.020235076416969363,0.16594133369885547
EOS-2-39677,CCn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)n(C)n1,LUBKDDQOZPARAL-UHFFFAOYSA-N,2,1,0.433,71,415,484.549,3.506,6,0.338,0.72,1.0,0.24139880748406553,0.23535912548831472,0.03521006099650469,0.028990473579603864,0.1352396168871222
EOS-2-39678,c1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)cc5)n34)cc2)cc1,XWSWEKSICSKNFK-UHFFFAOYSA-N,2,1,0.725,17,403,484.559,6.872,6,0.236,0.83,1.0,0.9168579946542389,0.8515780275512302,0.8809368788979508,0.8660389966417654,0.8788529744362963
EOS-2-39679,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cc1,XROMBZTUWALGDJ-UHFFFAOYSA-N,2,1,0.725,17,403,484.559,6.872,6,0.236,0.86,1.0,0.9001867589610033,0.8450500308409293,0.8794890686039339,0.8643598793776985,0.8722714344458913
EOS-2-39680,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc([N+](=O)[O-])cc5)n34)s2)nn1,MUEDXSIWFGQIJQ-UHFFFAOYSA-N,2,1,0.466,76,653,415.438,4.193,5,0.319,0.75,1.0,0.13360975944075115,0.029787197587553972,0.2540435885134672,0.1172812007401823,0.13368043657048867
EOS-2-39681,Cc1c(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)csc1C#N,DIZLTAJOAOQYNL-UHFFFAOYSA-N,2,1,0.477,55,879,415.438,3.662,5,0.427,0.8,1.0,0.5658196833664588,0.5672503598108423,0.41208621753135494,0.31077376464944145,0.46398250633952437
EOS-2-39682,Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cccnc6)cc5)n34)cc2)n1,SLOKLPZGJCKYDZ-UHFFFAOYSA-N,2,1,0.585,12,427,484.563,5.845,6,0.283,0.71,1.0,0.8808169419505174,0.7171372764032623,0.7657974093619354,0.702367898019327,0.7665298814337606
EOS-2-39683,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)nc5)n34)cc2)cn1,SZVIERDBWKZMOL-UHFFFAOYSA-N,2,1,0.6,12,47,484.563,5.845,6,0.283,0.77,1.0,0.9168665615790556,0.6981101363854431,0.7320265917346309,0.6766928243437735,0.7559240285107258
EOS-2-39684,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)cn1,XFJFJYGEDHVLTR-UHFFFAOYSA-N,2,1,0.625,35,234,415.432,3.347,5,0.423,0.77,1.0,0.7186279213213624,0.6637739017202385,0.6463487766431362,0.5882564594613118,0.6542517647865123
EOS-2-39685,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)c(F)c1,DEWGHEKUGAIWIH-UHFFFAOYSA-N,2,1,0.605,35,393,415.432,3.347,5,0.423,0.71,1.0,0.7031646220272771,0.6249143307518333,0.6164587759577822,0.5532263038859571,0.6244410081557124
EOS-2-39686,Cn1cc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)cn1,WCDHQAOCQFESRB-UHFFFAOYSA-N,2,1,0.537,15,438,415.432,3.347,5,0.396,0.74,1.0,0.5060653827702009,0.5257436090740868,0.585206634226578,0.5467754094990063,0.540947758892468
EOS-2-39687,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)n1,YIXCJNWQYZMNEP-UHFFFAOYSA-N,2,1,0.554,15,438,415.432,3.347,5,0.396,0.76,1.0,0.6252227400452334,0.5875111370022617,0.5788585429374272,0.5066050990336509,0.5745493797546434
EOS-2-39688,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2)c1,MCBDUAXNDFSVEP-UHFFFAOYSA-N,2,1,0.561,15,619,415.432,3.347,5,0.423,0.7,1.0,0.8954749503118361,0.7793074497978206,0.5946645192241793,0.5336937153039545,0.7007851586594476
EOS-2-39689,Cn1ccnc1CCOc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)cc3)n12,GHXJAFFGZMSCCN-UHFFFAOYSA-N,2,1,0.512,15,922,415.432,3.347,5,0.396,0.76,1.0,0.8162308957576588,0.6441813446645193,0.4632050579124118,0.44087965184017547,0.5911242375436914
EOS-2-39690,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)cn1,IUKFWGKOTGGJCA-UHFFFAOYSA-N,2,1,0.614,84,73,415.432,3.347,5,0.423,0.79,1.0,0.6057758207113975,0.6347320265917347,0.5979542183537797,0.5532348708107737,0.5979242341169213
EOS-2-39691,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)c1,FDKZCXAYFAUAGT-UHFFFAOYSA-N,2,1,0.612,35,393,415.432,3.347,5,0.423,0.7,1.0,0.8243009389349599,0.7620793639915016,0.6307655404016175,0.572750325543143,0.6974740422178054
EOS-2-39692,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccccc1,SGUWIULUBSNOEM-UHFFFAOYSA-N,2,1,0.518,19,54,415.432,3.347,5,0.396,0.75,1.0,0.5241244602837366,0.38982934685765197,0.4120947844561716,0.4221009526420396,0.43703738605989995
EOS-2-39693,Cc1nc(-c2ccncc2)c(COc2cncc3nnc(-c4ccc(F)cc4)n23)n1C,SCNSLKBXOMJNCG-UHFFFAOYSA-N,2,1,0.57,4,32,415.432,3.613,5,0.436,0.71,1.0,0.672966212048523,0.7079792337742444,0.36453978479884863,0.364968131039682,0.5276133404153245
EOS-2-39694,Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4)n23)n1,ICJPQGMCBFGQQY-UHFFFAOYSA-N,2,1,0.524,4,22,415.432,3.613,5,0.436,0.74,1.0,0.645346446439586,0.5301041738057707,0.610401960112398,0.5136128435336852,0.57486635597286
EOS-2-39695,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)n1,ICDAXUGIRVDPJR-UHFFFAOYSA-N,2,1,0.561,15,669,415.432,3.347,5,0.396,0.74,1.0,0.6224556233294497,0.5922657802755124,0.5659053526146255,0.49339490096634914,0.5685054142964842
EOS-2-39696,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2F)n1,IALALRLUYJEVST-UHFFFAOYSA-N,2,1,0.612,15,563,415.432,3.347,5,0.423,0.71,1.0,0.7546518401754506,0.6735144952367899,0.5012250702487835,0.45671132890137756,0.5965256836406003
EOS-2-39697,COc1ncc(-c2cnn(C)c2)cc1-c1cncc2nnc(-c3cc(F)ccc3C)n12,ZCGQSPQAIIGSBO-UHFFFAOYSA-N,2,1,0.333,82,859,415.432,3.71,5,0.445,0.78,1.0,0.2571276814474676,0.3272051264478103,0.622318552532383,0.49976869302995,0.4266050133644027
EOS-2-39698,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1F,HBRZTBJYLJBYQG-UHFFFAOYSA-N,2,1,0.612,15,796,415.432,3.347,5,0.423,0.66,1.0,0.8619097388801316,0.6687598519635392,0.5492769515454733,0.4965989308477829,0.6441363683092317
EOS-2-39699,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1,KDNWCKCCSWNBBM-UHFFFAOYSA-N,2,1,0.534,15,848,415.432,3.347,5,0.396,0.76,1.0,0.8619183058049482,0.717145843328079,0.5291104105270372,0.47236310054142966,0.6451344150503734
EOS-2-39700,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ccccc1F,XKLSOXNTKWFECY-UHFFFAOYSA-N,2,1,0.539,19,266,415.432,3.347,5,0.423,0.71,0.984,0.46130320060311153,0.3995099719004866,0.3570608594338976,0.3936330614762525,0.402876773353437
EOS-2-39701,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2)n1,YDVSYFXQVCIAIU-UHFFFAOYSA-N,2,1,0.57,15,889,415.432,3.347,5,0.423,0.7,1.0,0.742855184702899,0.7079878006990611,0.5190699746419025,0.4723716674662463,0.6105711568775273
EOS-2-39702,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)n1,AEAUNLMJYWSSBP-UHFFFAOYSA-N,2,1,0.58,72,889,415.432,3.347,5,0.396,0.72,1.0,0.8005277225687067,0.7357103694057981,0.5819683366458775,0.5033839353025837,0.6553975909807416
EOS-2-39703,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ccc(F)cc1,HNNXCMBGXZDHKE-UHFFFAOYSA-N,2,1,0.539,95,266,415.432,3.347,5,0.423,0.76,1.0,0.4959050099376328,0.44042560482489207,0.3835926255911178,0.4092505654170379,0.4322934514426702
EOS-2-39704,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)c1,CRCAURSZYFHOMR-UHFFFAOYSA-N,2,1,0.614,84,276,415.432,3.347,5,0.423,0.73,1.0,0.7835994791309712,0.792217805496539,0.5459187170173394,0.5066136659584676,0.6570874169008294
EOS-2-39705,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cc1-c1ccccc1,MVPUIUOHDHQWTI-UHFFFAOYSA-N,2,1,0.478,95,54,415.432,3.347,5,0.423,0.79,1.0,0.46383901034884517,0.3898379137824686,0.34556404632992943,0.37798985676101704,0.39430770680556504
EOS-2-39706,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2)n1,IXMZZAKIKFTJML-UHFFFAOYSA-N,2,1,0.561,15,889,415.432,3.347,5,0.423,0.68,1.0,0.77491261736687,0.7079963676238777,0.5759543554245768,0.5167397710917689,0.6439007778767734
EOS-2-39707,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)cc1,RAPMQYFOWBGTOO-UHFFFAOYSA-N,2,1,0.662,43,520,415.432,3.788,5,0.42,0.72,1.0,0.8550219313275307,0.6930727845932424,0.532288739634021,0.5264118292097869,0.6516988211911453
EOS-2-39708,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)n1,WEOJHWIXJWTDHI-UHFFFAOYSA-N,2,1,0.552,15,619,415.432,3.347,5,0.423,0.74,1.0,0.5998646425878966,0.5672589267356589,0.5591631827839079,0.5066222328832842,0.5582272462476869
EOS-2-39709,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)n1,PLDHGAKLFBDCRG-UHFFFAOYSA-N,2,1,0.614,84,73,415.432,3.347,5,0.423,0.69,1.0,0.657391542731821,0.6589250222740045,0.5257093413748201,0.48734665204578165,0.5823431396066068
EOS-2-39710,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cn2)n1,CPLSHRMTUDZHTC-UHFFFAOYSA-N,2,1,0.662,84,73,415.432,3.347,5,0.423,0.7,1.0,0.6424679597011856,0.6347405935165513,0.5257179082996367,0.48458810225481463,0.571878640943047
EOS-2-39711,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)c1,YNMNZRJIPOLOCD-UHFFFAOYSA-N,2,1,0.552,15,619,415.432,3.347,5,0.423,0.76,1.0,0.7308957576588307,0.6161246658899322,0.5759629223493935,0.5264203961346036,0.61235093550819
EOS-2-39712,CCOc1cc(F)ccc1-c1nnc2cncc(-c3cccc(-c4cn(C)nn4)c3)n12,DIYJZHISUZQGBY-UHFFFAOYSA-N,2,1,0.402,61,697,415.432,3.792,5,0.434,0.75,1.0,0.2627989856761017,0.3515780275512302,0.5788671098622439,0.540101775066822,0.43333647453909946
EOS-2-39713,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)cn2)c1,ZGBGKNBRKBXORG-UHFFFAOYSA-N,2,1,0.684,84,276,415.432,3.347,5,0.423,0.76,1.0,0.8366373106709616,0.8311887464875608,0.5623672126653416,0.5167483380165856,0.6867354019601124
EOS-2-39714,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1,LCOBRTJYYGZYKE-UHFFFAOYSA-N,2,1,0.573,15,669,415.432,3.347,5,0.396,0.71,1.0,0.9097046124323213,0.7537608799945171,0.6251884723459666,0.5500736755534233,0.709681910081557
EOS-2-39715,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1F,OQSQYCSFEJNIMA-UHFFFAOYSA-N,2,1,0.595,35,619,415.432,3.347,5,0.423,0.69,1.0,0.8595452676307312,0.6833064903022411,0.6280155575354671,0.5695976972106093,0.6851162531697621
EOS-2-39716,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)c(F)c1,YIIPBYIJNLHRRI-UHFFFAOYSA-N,2,1,0.583,26,619,415.432,3.347,5,0.423,0.72,1.0,0.8005362894935234,0.6784576108560071,0.6132547460763484,0.5567216092111575,0.6622425639092591
EOS-2-39717,Cc1nc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(CO)cc5)n34)c2)n(C)n1,DSCQISRCRBYJQQ-UHFFFAOYSA-N,2,1,0.364,61,124,415.432,3.194,5,0.485,0.84,1.0,0.2896477280515386,0.3467891165787129,0.5356555410869714,0.5167569049414023,0.4222123226646563
EOS-2-39718,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)nn2C)cn1,XSEZPLYYGCAZGY-UHFFFAOYSA-N,2,1,0.535,95,965,415.432,3.613,5,0.436,0.8,1.0,0.4083424713864711,0.3805170995819341,0.5623757795901583,0.5136214104585018,0.46621419025426636
EOS-2-39719,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)cc2)n1,RITAKVYBCLKBDS-UHFFFAOYSA-N,2,1,0.797,91,309,415.432,3.347,5,0.423,0.79,1.0,0.8189294770749092,0.8002193132753067,0.5356641080117881,0.4934034678911658,0.6620540915632924
EOS-2-39720,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1F,SCKQCUGMUOTKNV-UHFFFAOYSA-N,2,1,0.61,35,393,415.432,3.347,5,0.423,0.72,1.0,0.8340843670755945,0.6589335891988212,0.6577085189500377,0.5915118908916456,0.6855595915290247
EOS-2-39721,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)ccn2)c1,JAUUQYFMMYYUBD-UHFFFAOYSA-N,2,1,0.74,75,276,415.432,3.347,5,0.423,0.73,1.0,0.7248132410389967,0.634749160441368,0.5560705229250908,0.5136299773833185,0.6073157254471935
EOS-2-39722,CCn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,UIWBXSVPKIASAD-UHFFFAOYSA-N,2,1,0.667,43,520,415.432,3.788,5,0.42,0.74,1.0,0.9035535604139538,0.7750068535398533,0.5322973065588377,0.5302412446028374,0.6852747412788706
EOS-2-39723,Cc1ncccc1COc1cncc2nnc(-c3ccc(-c4cn(C)cn4)c(F)c3)n12,DBBIRNHSGDYWIQ-UHFFFAOYSA-N,2,1,0.506,16,214,415.432,3.613,5,0.436,0.78,1.0,0.7604773490507847,0.6061956000274141,0.6223271194571997,0.5167654718662189,0.6264413851004044
EOS-2-39724,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cc2)cn1,GTUCHTXOELIWRN-UHFFFAOYSA-N,2,1,0.547,15,519,415.432,3.347,5,0.396,0.74,1.0,0.6544530875197039,0.6544273867452539,0.5526951545473237,0.4903964772805154,0.5879930265231992
EOS-2-39725,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)cn1,RYWNTFCOXUPONJ-UHFFFAOYSA-N,2,1,0.541,16,860,415.432,3.788,5,0.42,0.73,1.0,0.4709324240970461,0.47573846891919674,0.5659139195394421,0.5200551709958193,0.5081599958878761
EOS-2-39726,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)cn1,WSNMSNPEQKPTFM-UHFFFAOYSA-N,2,1,0.62,35,545,415.432,3.347,5,0.423,0.71,1.0,0.7604859159756014,0.693081351518059,0.6546672606401206,0.5974402028647796,0.6764186827496401
EOS-2-39727,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)cn2)cn1,HXCJFFMIKDXVCD-UHFFFAOYSA-N,2,1,0.571,16,860,415.432,3.788,5,0.42,0.77,1.0,0.45467240079501064,0.48427969296141454,0.5819769035706943,0.530249811527654,0.5127947022136934
EOS-2-39728,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(F)cc1,SSKCMJADHROQRU-UHFFFAOYSA-N,2,1,0.58,95,835,415.432,3.347,5,0.423,0.81,1.0,0.5111798368857515,0.42275203892810637,0.49411452265094924,0.49977725995476663,0.4819559146048934
EOS-2-39729,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1F,DECTZNJOOMYXJR-UHFFFAOYSA-N,2,1,0.737,91,309,415.432,3.347,5,0.423,0.73,1.0,0.8058906175039408,0.7537694469193338,0.54928551847029,0.5467839764238229,0.6639323898293468
EOS-2-39730,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,VDCADQGQRDCNNV-UHFFFAOYSA-N,2,1,0.679,91,309,415.432,3.347,5,0.423,0.7,1.0,0.7692413131382358,0.7310156946062641,0.5852152011513947,0.5727588924679597,0.6645577753409636
EOS-2-39731,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)c2)cn1,FQBUPPNNWINPNC-UHFFFAOYSA-N,2,1,0.56,2,884,415.432,3.788,5,0.42,0.79,1.0,0.35008738263313,0.36117298334589815,0.6402919607977521,0.5915204578164622,0.48576819614831057
EOS-2-39732,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ccn2)c1,GVDXZKBSOKTJRU-UHFFFAOYSA-N,2,1,0.627,75,276,415.432,3.347,5,0.423,0.73,1.0,0.7604944829004181,0.62492289767665,0.5560790898499075,0.5167740387910356,0.6145676273045028
EOS-2-39733,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)cn1,QKMFALIHNNBIKP-UHFFFAOYSA-N,2,1,0.58,15,889,415.432,3.347,5,0.423,0.75,1.0,0.685165512987458,0.6637824686450552,0.5459272839421562,0.5066307998081009,0.6003765163456926
EOS-2-39734,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1F,JKLFOHWYSWLWJB-UHFFFAOYSA-N,2,1,0.62,35,619,415.432,3.347,5,0.423,0.73,1.0,0.7864865327941882,0.5969433212254129,0.6013381536563636,0.5437255842642725,0.6321233979850593
EOS-2-39735,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2)cn1,MSCLHRWXZKXTSV-UHFFFAOYSA-N,2,1,0.583,15,519,415.432,3.347,5,0.423,0.77,1.0,0.7093927763689946,0.6784661777808237,0.588299294085395,0.536777808237955,0.628234014118292
EOS-2-39736,Cc1nn(C)c(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1F,LQHHZZLBIQOVIN-UHFFFAOYSA-N,2,1,0.556,4,22,415.432,3.613,5,0.436,0.75,1.0,0.4885802892193818,0.5075731615379343,0.3455726132547461,0.3293554245767939,0.417770372147214
EOS-2-39737,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)cn1,MZRZGGUAUTUVGD-UHFFFAOYSA-N,2,1,0.54,18,159,415.432,3.347,5,0.423,0.78,1.0,0.45238503186896034,0.322673223219793,0.6013467205811802,0.5597885682955246,0.48404838599136457
EOS-2-39738,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)c5)c4)n23)ccn1,KUQPLUJDEIREHF-UHFFFAOYSA-N,2,1,0.542,16,394,415.432,3.613,5,0.436,0.68,1.0,0.576802480981427,0.5718593653622096,0.7267750668220135,0.6186005071619491,0.6235093550818999
EOS-2-39739,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)nc2)cn1,OCGRMDCQCFPCAD-UHFFFAOYSA-N,2,1,0.602,84,73,415.432,3.347,5,0.423,0.83,1.0,0.5185559591529024,0.46693167020766224,0.6013552875059969,0.5532434377355905,0.5350215886505381
EOS-2-39740,Cc1ccc(-c2nnc3cncc(OCc4cn(C)nc4-c4ccnc(F)c4)n23)cc1,PAECJHPQVRHLOE-UHFFFAOYSA-N,2,1,0.5,89,250,415.432,3.613,5,0.408,0.74,1.0,0.4835172366527311,0.46694023713247895,0.5623843465149749,0.49040504420533204,0.5008117161263792
EOS-2-39741,Cn1cc(CCOc2cncc3nnc(-c4cccc(-c5cc(F)ccn5)c4)n23)cn1,BBMMRAUUZBJULN-UHFFFAOYSA-N,2,1,0.539,15,438,415.432,3.347,5,0.423,0.82,1.0,0.5060739496950175,0.49856932355561645,0.5356726749366048,0.5167826057158522,0.5142746384757727
EOS-2-39742,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)cn1,KXKMPQMZCWSECO-UHFFFAOYSA-N,2,1,0.628,35,545,415.432,3.347,5,0.423,0.73,1.0,0.7186364882461792,0.6735230621616065,0.6822613254746076,0.6186090740867658,0.6732574874922898
EOS-2-39743,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cc2)n1,WOBNDYMUAPKGPQ-UHFFFAOYSA-N,2,1,0.576,15,889,415.432,3.347,5,0.423,0.72,1.0,0.7518247549859502,0.7126910424234117,0.5155832362415187,0.45994105955726133,0.6100100233020356
EOS-2-39744,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,KWZZCDWRKMQTFJ-UHFFFAOYSA-N,2,1,0.716,91,520,415.432,3.347,5,0.423,0.78,1.0,0.897076965252553,0.8121616064697417,0.5291189774518539,0.520063737920636,0.6896053217736962
EOS-2-39745,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,AXXTWJAXAUDPCX-UHFFFAOYSA-N,2,1,0.565,35,545,415.432,3.347,5,0.423,0.75,1.0,0.552378178329107,0.4889829346857652,0.6519858131725036,0.5915290247412789,0.5712189877321636
EOS-2-39746,Cc1ccsc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnn5)s4)n23)cc1,MAGGPFBJIKCVCP-UHFFFAOYSA-N,2,1,0.452,81,117,484.57,4.716,6,0.335,0.7,1.0,0.39343602220546914,0.43638201631142487,0.12239565485573299,0.14173120416695223,0.27348622438489484
EOS-2-39747,COc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3ccc(-c4csc(C)n4)nc3)n12,CVLCDSTXHQNNGN-UHFFFAOYSA-N,2,1,0.303,32,727,484.57,4.812,6,0.343,0.66,0.606,0.16104105270372146,0.10921115756288123,0.2646151737372353,0.2003975053114934,0.18381622232883285
EOS-2-39748,COc1cc(-c2nnsn2)ccc1-c1cncc2nnc(-c3ccc(-c4nc(C)cs4)cc3)n12,ZAKDBJUFQAGWEF-UHFFFAOYSA-N,2,1,0.341,9,98,484.57,4.812,6,0.343,0.66,1.0,0.1691282297306559,0.08343328078952779,0.2761034199163868,0.2236824069631965,0.18808683434994175
EOS-2-39749,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cn5)n34)cc2)s1,CZHLOAHXCFZPDG-UHFFFAOYSA-N,2,1,0.54,81,25,484.57,4.716,6,0.335,0.68,1.0,0.40625214173120416,0.4404341717497087,0.23253204029881433,0.19225892673565897,0.3178693201288465
EOS-2-39750,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)cc2)s1,PWRHAIIJVSBCFH-UHFFFAOYSA-N,2,1,0.483,81,117,484.57,4.716,6,0.335,0.71,1.0,0.4428843122472757,0.4318244123089576,0.18696456719895826,0.17294051127407306,0.3086534507573161
EOS-2-39751,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cn5)n34)cc2)cs1,JPLPTWUEUAIWON-UHFFFAOYSA-N,2,1,0.517,81,117,484.57,4.716,6,0.335,0.66,1.0,0.3003478171475567,0.3467976835035296,0.30869200191899115,0.25647659516140087,0.30307852443286953
EOS-2-39752,OCc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4F)n23)cc1,YUDHMZLQVQBYMW-UHFFFAOYSA-N,2,1,0.565,1,230,415.428,3.792,5,0.457,0.81,1.0,0.8935816599273525,0.6205794667945994,0.9112038242752382,0.8765420464670002,0.8254767493660475
EOS-2-39753,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,BOFAKLPPDVWGAQ-UHFFFAOYSA-N,2,1,0.694,1,326,415.428,4.781,5,0.411,0.86,1.0,0.9357566307998081,0.8311973134123775,0.7346309368788979,0.6707730792954562,0.7930894900966349
EOS-2-39754,OCc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)c(F)c1,GREXMHDJAMUGOE-UHFFFAOYSA-N,2,1,0.535,43,230,415.428,3.792,5,0.457,0.76,1.0,0.6762473442533068,0.6161332328147489,0.902028647796587,0.8643684463025153,0.7646944177917895
EOS-2-39755,Cn1nc(-c2nnc3cncc(OCCc4cnc(=N)[nH]c4)n23)cc1-c1ccnnc1,FZYQYTDHRLPRGB-UHFFFAOYSA-N,2,1,0.409,31,569,415.421,0.806,5,0.414,0.53,1.0,0.24674456856966623,0.057586868617641014,0.056233294496607494,0.03287985744637105,0.09836114728257146
EOS-2-39756,Fc1ccc(-c2sccc2COc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cc1,JWCYWHDQEIKXND-UHFFFAOYSA-N,2,1,0.58,41,427,484.581,6.966,6,0.256,0.62,1.0,0.9345144267013913,0.8938043999725859,0.8963230758686862,0.8987560825166199,0.9058494962648208
EOS-2-39757,COc1cc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)ccn1,FUQKILURUFVUIJ-UHFFFAOYSA-N,2,1,0.418,92,45,415.417,1.964,5,0.41,0.64,1.0,0.3382992940853951,0.20078301692824344,0.11938866424508258,0.05665307381262422,0.17878101226783633
EOS-2-39758,COc1cc(-c2nnc3cncc(OCc4ccnnc4)n23)ccc1-c1nncn1C,QLMOKWIEBXFVDD-UHFFFAOYSA-N,2,1,0.466,36,375,415.417,1.964,5,0.41,0.71,1.0,0.37996024946885065,0.11832636556781578,0.19033136865190872,0.11263792748954835,0.2003139777945309
EOS-2-39759,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1O,KJESLAOHMXLDRC-UHFFFAOYSA-N,2,1,0.465,15,795,415.417,1.704,5,0.44,0.59,1.0,0.3636402576930985,0.20524638475772736,0.08111164416421081,0.06261565348502501,0.17815348502501543
EOS-2-39760,COc1cc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)ccc1-c1nc[nH]n1,JDHIZBSTIPLRTF-UHFFFAOYSA-N,2,1,0.484,36,224,415.417,2.262,5,0.444,0.62,1.0,0.3233157425810431,0.2201185662394627,0.1548043314371873,0.07894421218559386,0.19429571311082175
EOS-2-39761,COc1cc(-c2nnc3cncc(OCc4ccncn4)n23)ccc1-c1cn(C)nn1,YVRQKFWLAHMQOF-UHFFFAOYSA-N,2,1,0.495,36,638,415.417,1.964,5,0.41,0.7,1.0,0.24140737440888219,0.17003632376122269,0.19721060927969297,0.10564731683914742,0.17857540607223632
EOS-2-39762,COc1cc(-c2nnc3cncc(OCc4ncn(C)n4)n23)ccc1-c1cnccn1,OREZESYOSXSEQY-UHFFFAOYSA-N,2,1,0.422,92,248,415.417,1.964,5,0.41,0.66,1.0,0.2756065382770201,0.15464155986567063,0.11664724830374888,0.06262422040984168,0.15237989171407032
EOS-2-39763,COc1cc(-c2nnc3cncc(OCc4ncnn4C)n23)ccc1-c1cncnc1,OIKAXBMVJUGDRG-UHFFFAOYSA-N,2,1,0.427,92,248,415.417,1.964,5,0.41,0.68,1.0,0.3614556918648482,0.23536769241313138,0.14568055650743608,0.08763964087451169,0.20753589541498182
EOS-2-39764,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5nnc(C)o5)n34)cn2)cn1,QFMZNGMHMFONJS-UHFFFAOYSA-N,2,1,0.463,65,986,415.417,2.265,5,0.407,0.66,1.0,0.4083510383112878,0.32721369337262696,0.03018127612912069,0.01889006922075252,0.19615901925844698
EOS-2-39765,COc1ccc(-c2nnc3cncc(OCc4cncc(-c5nccn5C)n4)n23)cn1,PQQDFPKPJAYYFY-UHFFFAOYSA-N,2,1,0.388,7,535,415.417,1.964,5,0.41,0.69,1.0,0.3521091768898636,0.22012713316427934,0.0860119251593448,0.039544924953738604,0.1744482900418066
EOS-2-39766,COc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1nnn(C)n1,VBVLBDXXNZCFLJ-UHFFFAOYSA-N,2,1,0.651,36,638,415.417,1.964,5,0.41,0.67,1.0,0.24141594133369887,0.18720444109382495,0.10024158727983003,0.056661640737440885,0.14638090261119868
EOS-2-39767,COc1ncnc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)n1,FJVDWEOILSDCEF-UHFFFAOYSA-N,2,1,0.427,36,320,415.417,1.964,5,0.41,0.65,1.0,0.47094099102186276,0.28166335412240423,0.08361318621067781,0.03825988623123844,0.2186193543965458
EOS-2-39768,COc1ccc(-c2nnc3cncc(OCc4nc(-c5ccncc5)nn4C)n23)cn1,RQKSICDSDIQRKN-UHFFFAOYSA-N,2,1,0.43,92,986,415.417,1.964,5,0.41,0.76,1.0,0.3108423000479748,0.2510023302035501,0.04543896922760606,0.021879925981769584,0.15729088136522515
EOS-2-39769,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(CO)cn5)n34)nc2)nn1,HGFGSGNFBVLCJE-UHFFFAOYSA-N,2,1,0.43,92,760,415.417,1.448,5,0.438,0.63,1.0,0.21925330683297922,0.13941813446645193,0.1804622712631074,0.1195428688917826,0.1646691453635803
EOS-2-39770,COc1ccnc(COc2cncc3nnc(-c4cnnc(-c5cncn5C)c4)n23)c1,TXTNZOZQXAQZBV-UHFFFAOYSA-N,2,1,0.452,92,185,415.417,1.964,5,0.41,0.67,0.999,0.24376327873346584,0.1429648413405524,0.19381810705229252,0.10781474881776437,0.1720902439860188
EOS-2-39771,COc1ncccc1COc1cncc2nnc(-c3ccc(-c4ncn(C)n4)nc3)n12,WISTWENTVSITHT-UHFFFAOYSA-N,2,1,0.418,92,45,415.417,1.964,5,0.41,0.66,0.999,0.36146425878966487,0.20079158385306012,0.0788242752381605,0.03288842437118772,0.16849213556301829
EOS-2-39772,OCCn1cc(-c2ccnc(-c3nnc4cncc(OCc5cnccn5)n34)c2)cn1,CPIYAHKGKADXNQ-UHFFFAOYSA-N,2,1,0.409,7,711,415.417,1.411,5,0.419,0.73,1.0,0.12513707079706668,0.04993660475635666,0.11939723116989925,0.08764820779932836,0.09552977863066274
EOS-2-39773,COc1cnc(COc2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)cc4)n23)nc1,BLCWCBCEBUZBAW-UHFFFAOYSA-N,2,1,0.462,16,19,415.417,2.262,5,0.444,0.72,1.0,0.49343773559043247,0.34174319786169555,0.10552737989171407,0.05000514015489,0.24767836337468302
EOS-2-39774,COc1cc(-c2nnc3cncc(OCc4cnccn4)n23)ccc1-c1nncn1C,XYYRGUBSIVEFDU-UHFFFAOYSA-N,2,1,0.478,92,375,415.417,1.964,5,0.41,0.7,1.0,0.29249194709067233,0.12169316702076623,0.13991501610581866,0.07705092180111027,0.15778776300459188
EOS-2-39775,COc1cccnc1COc1cncc2nnc(-c3ccc(-c4nnnn4C)cc3)n12,CHJLTZFRVGFZHU-UHFFFAOYSA-N,2,1,0.585,36,447,415.417,1.964,5,0.41,0.75,1.0,0.3500959495579467,0.2816719210472209,0.09075800150777877,0.055230964293057364,0.19443920910150095
EOS-2-39776,COc1nc(-c2nnc3cncc(OCc4ncn(C)n4)n23)ccc1-c1ccccn1,QBTMVKJNDMZCFU-UHFFFAOYSA-N,2,1,0.424,49,501,415.417,1.964,5,0.41,0.6,1.0,0.2054262901788774,0.1057586868617641,0.037917209238571725,0.01782777054348571,0.09173248920567474
EOS-2-39777,COc1ncncc1COc1cncc2nnc(-c3ccc(-c4cnn(C)c4)nc3)n12,JZJCFPABHUJHLO-UHFFFAOYSA-N,2,1,0.409,92,468,415.417,1.964,5,0.41,0.66,1.0,0.33345041463916114,0.17467959701185662,0.1614094304708382,0.07317010485915976,0.18567738674525394
EOS-2-39778,Cc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5noc(C)n5)c4)n23)n1,CFMAALAGZPKFOL-UHFFFAOYSA-N,2,1,0.43,65,131,415.417,2.265,5,0.407,0.73,1.0,0.3706308683434994,0.20080015077787677,0.024698444246453292,0.01422966212048523,0.15258978137207868
EOS-2-39779,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCc3cccnn3)n12,MKQCOYZUMUYHQB-UHFFFAOYSA-N,2,1,0.447,36,638,415.417,1.964,5,0.41,0.74,1.0,0.20265060653827702,0.11517373723528203,0.16453635802892194,0.09528990473579604,0.14441265163456926
EOS-2-39780,COc1ncncc1COc1cncc2nnc(-c3ccc(-c4cn(C)cn4)nc3)n12,PBTFOVFTAKADBA-UHFFFAOYSA-N,2,1,0.429,7,823,415.417,1.964,5,0.41,0.66,1.0,0.4885888561441985,0.3023696114042903,0.1306113357549174,0.05961722979919128,0.2452967582756494
EOS-2-39781,COc1nc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1nccn1C,JJOWRKKIQBOQFG-UHFFFAOYSA-N,2,1,0.396,92,551,415.417,1.964,5,0.41,0.64,1.0,0.252193132753067,0.09912788705366321,0.058058049482557744,0.026103419916386813,0.10887062230141868
EOS-2-39782,Cc1noc(C)c1COc1cncc2nnc(-c3ccc(-c4ccncn4)c(O)c3)n12,CCXNCLCNWXIKCM-UHFFFAOYSA-N,2,1,0.483,16,256,415.413,3.138,5,0.461,0.62,1.0,0.36828353094373245,0.23537625933794806,0.21142313755054484,0.13935816599273526,0.23861027345624014
EOS-2-39783,COc1cc(-c2nnc3cncc(OCc4cccnc4)n23)ccc1-c1nc(C)no1,XWZTXKJHHRWINK-UHFFFAOYSA-N,2,1,0.523,16,591,415.413,3.132,5,0.412,0.75,1.0,0.45000342676992666,0.16604413679665547,0.27611198684120347,0.15406757590295386,0.26155678157768486
EOS-2-39784,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ncon1,SVJAPVXSZHXMCI-UHFFFAOYSA-N,2,1,0.595,35,604,415.413,2.866,5,0.396,0.75,1.0,0.5498166678089234,0.22546432732506339,0.319966074977726,0.20648002193132753,0.3254317730107601
EOS-2-39785,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1nnco1,RSCIRBGTKWNNPZ-UHFFFAOYSA-N,2,1,0.612,72,925,415.413,2.866,5,0.396,0.74,1.0,0.547015283393873,0.2663456925502022,0.2431892947707491,0.15407614282777055,0.3026566033856487
EOS-2-39786,COc1cc(-c2nnc3cncc(OCc4cnoc4C)n23)ccc1-c1cnccn1,QGBKZPZFHXRPML-UHFFFAOYSA-N,2,1,0.488,16,248,415.413,3.132,5,0.412,0.7,1.0,0.41977931601672264,0.23047597834281405,0.3347354533616613,0.19471763415804264,0.2949270954698101
EOS-2-39787,CCOc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4OC)n23)nc1,IVBFQUXTSCBEOX-UHFFFAOYSA-N,2,1,0.304,72,697,415.413,3.311,5,0.412,0.66,0.979,0.23296038653964773,0.09290829963676239,0.33815365636351175,0.20349016517031046,0.2168781269275581
EOS-2-39788,COc1cc(-c2nnc3cncc(OCc4ccc(C)nc4)n23)ccc1-c1ncon1,XBNABKLFSPXQSA-UHFFFAOYSA-N,2,1,0.662,16,248,415.413,3.132,5,0.412,0.81,1.0,0.49591357686244947,0.16217188677952163,0.3681635939962991,0.20349873209512714,0.3074369474333493
EOS-2-39789,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nnco1,ZXKSVBOXNVIDNX-UHFFFAOYSA-N,2,1,0.56,15,925,415.413,2.866,5,0.396,0.69,1.0,0.557381262422041,0.22013570008909603,0.312487149612775,0.2035072990199438,0.3233778527859639
EOS-2-39790,OCCCOc1cncc2nnc(-c3ccc(-c4ccc(-c5ncco5)nc4)cn3)n12,MKQWDJIUOILOSH-UHFFFAOYSA-N,2,1,0.538,24,529,415.413,2.665,5,0.399,0.61,1.0,0.4591443355493112,0.33668014529504486,0.17421698307175656,0.15955040778562127,0.2823979679254335
EOS-2-39791,COc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,FUINLZFJVHSPSE-UHFFFAOYSA-N,2,1,0.55,72,889,415.413,2.866,5,0.396,0.72,1.0,0.6366510177506682,0.4042988828730039,0.22178054965389624,0.13034576108560073,0.3482690528407923
EOS-2-39792,COc1cc(-c2nnc3cncc(OCCc4cnoc4)n23)ccc1-c1cccnn1,DKVSMTZTPHJMSO-UHFFFAOYSA-N,2,1,0.523,72,925,415.413,2.866,5,0.396,0.69,1.0,0.49850078815708315,0.23538482626276472,0.32346994722774314,0.22369097388801315,0.320261633883901
EOS-2-39793,COc1cc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)ccc1-c1cnco1,ZNGWTSCKBMOMHO-UHFFFAOYSA-N,2,1,0.506,4,224,415.413,3.132,5,0.412,0.68,1.0,0.3208142005345761,0.16605270372147213,0.3234785141525598,0.18651908710849155,0.2492161263792749
EOS-2-39794,COc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1cocn1,RIONNYUDDDEMSL-UHFFFAOYSA-N,2,1,0.483,15,777,415.413,2.866,5,0.396,0.64,1.0,0.5523867452539236,0.28168048797203754,0.20788499760126106,0.1326930984853677,0.2936613323281475
EOS-2-39795,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncon1,ISBYUCBHYFYHJE-UHFFFAOYSA-N,2,1,0.58,35,604,415.413,2.866,5,0.396,0.71,1.0,0.5768110479062436,0.2609656637653348,0.29062435748063875,0.18944897539579192,0.32946251113700226
EOS-2-39796,COc1cc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1-c1cnco1,CWVBKPPNCMDZFS-UHFFFAOYSA-N,2,1,0.542,35,103,415.413,2.866,5,0.396,0.65,1.0,0.5241330272085533,0.23048454526763074,0.3908145432115688,0.2591666095538346,0.3511496813103968
EOS-2-39797,COc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1noc(C)n1,HKWBAIALCJCWLJ-UHFFFAOYSA-N,2,1,0.659,4,248,415.413,3.132,5,0.412,0.71,1.0,0.32082276745939275,0.2304931121924474,0.20428688917826057,0.11264649441436501,0.21706231581111643
EOS-2-39798,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)c2)o1,APSSJNSXBUUQTE-UHFFFAOYSA-N,2,1,0.56,89,214,415.413,2.616,5,0.445,0.76,1.0,0.5913919539442122,0.30237817832910696,0.3645483517236653,0.26545473236926875,0.3809433040915633
EOS-2-39799,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cocn1,UQHYZUDLTHSPFZ-UHFFFAOYSA-N,2,1,0.529,15,361,415.413,2.866,5,0.396,0.67,1.0,0.5741724350627099,0.26635425947501884,0.34962476869302994,0.229936262079364,0.3550219313275307
EOS-2-39800,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(=O)oc5)n34)cn2)n1,LLQCXWKYBGDPHC-UHFFFAOYSA-N,2,1,0.506,65,981,415.413,2.162,5,0.415,0.61,1.0,0.42919436639024056,0.18283530943732437,0.2217891165787129,0.1540847097525872,0.24697587553971628
EOS-2-39801,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ncon1,CBFHVAQUNJYAAA-UHFFFAOYSA-N,2,1,0.634,15,604,415.413,2.866,5,0.396,0.7,1.0,0.585540744294428,0.3366887122198616,0.22506168185868,0.14401857309300253,0.32282742786649304
EOS-2-39802,COc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cocn1,AEEYTMHWMXLORG-UHFFFAOYSA-N,2,1,0.471,49,501,415.413,2.866,5,0.396,0.57,1.0,0.4613117675279282,0.1466657528613529,0.18047083818792406,0.115019532588582,0.2258669727914468
EOS-2-39803,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cc2)cc1,KQEAPKHCIRLUAV-UHFFFAOYSA-N,2,1,0.69,57,23,415.403,4.711,5,0.389,0.87,1.0,0.9721574943458297,0.923120416695223,0.9410167226372421,0.937564251936125,0.9434647214036049
EOS-2-39804,Fc1cccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccc5)n4)n23)c1,JZJBZQBTPPROLC-UHFFFAOYSA-N,2,1,0.6,57,58,415.403,4.711,5,0.416,0.78,1.0,0.7248218079638133,0.7709032965526694,0.857232197930231,0.8751884723459666,0.8070364436981701
EOS-2-39805,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(F)c1,KHSDLXLEMUVERO-UHFFFAOYSA-N,2,1,0.564,12,650,415.403,4.711,5,0.416,0.79,1.0,0.8662531697621821,0.8276334726886437,0.8880131587965184,0.8987646494414365,0.8701661126721952
EOS-2-39806,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)nc1,ZLSATRHOIBBYGS-UHFFFAOYSA-N,2,1,0.6,57,709,415.403,4.711,5,0.416,0.78,1.0,0.8769104242341169,0.8045798780069906,0.9216726064012062,0.9233345898156398,0.8816243746144883
EOS-2-39807,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(F)c5)nc4)n23)cc1,IXDUARPKQGEGDG-UHFFFAOYSA-N,2,1,0.645,57,798,415.403,4.711,5,0.416,0.89,1.0,0.9692190391337125,0.9250137070797066,0.9243454869440065,0.9275152491261737,0.9365233705708998
EOS-2-39808,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(F)c5)cn4)n23)cc1,LNUKLHMCHBLZTB-UHFFFAOYSA-N,2,1,0.645,57,461,415.403,4.711,5,0.416,0.84,1.0,0.8882016311424851,0.9136453978479885,0.9235230621616065,0.9307021451579741,0.9140180590775135
EOS-2-39809,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccc5F)cc4)n23)cc1,PVHUXSZBOXVDNJ-UHFFFAOYSA-N,2,1,0.694,57,798,415.403,4.711,5,0.416,0.82,1.0,0.9809557261325474,0.9519995202522102,0.9235316290864232,0.9243711877184566,0.9452145157974093
EOS-2-39810,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccc5F)n34)cc2)cc1,BLLAFBJJTJJFPF-UHFFFAOYSA-N,2,1,0.605,57,23,415.403,4.711,5,0.416,0.85,1.0,0.9067404564457542,0.8962117058460695,0.9112123912000548,0.9191539305051059,0.9083296209992461
EOS-2-39811,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,NZHBPJDDXXTEQZ-UHFFFAOYSA-N,2,1,0.524,30,366,415.403,5.122,5,0.399,0.87,1.0,0.5160458501816189,0.6441899115893359,0.9479045301898431,0.9417192104722089,0.7624648756082517
EOS-2-39812,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(F)c5)n4)n23)cc1,QOKCQSUOKZXRGE-UHFFFAOYSA-N,2,1,0.58,57,461,415.403,4.711,5,0.416,0.83,1.0,0.8900178192036187,0.9116921389897882,0.8951322733191693,0.9069460626413542,0.9009470735384827
EOS-2-39813,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)n4)n23)cc1F,IAZVLLJOTWJSCS-UHFFFAOYSA-N,2,1,0.573,57,347,415.403,4.711,5,0.416,0.77,1.0,0.8862826399835515,0.8984990747721198,0.8914399287231856,0.894575423206086,0.8926992666712357
EOS-2-39814,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc1F,YUBMIQVJRSCLCH-UHFFFAOYSA-N,2,1,0.61,57,198,415.403,4.711,5,0.416,0.77,1.0,0.9142108148858885,0.8199061065040093,0.9243540538688233,0.9253478171475568,0.8959546981015695
EOS-2-39815,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)cc1F,HDICECDRPHEUSI-UHFFFAOYSA-N,2,1,0.623,57,80,415.403,4.711,5,0.416,0.77,1.0,0.8882101980673017,0.8962202727708861,0.9226406689054897,0.9212613940100062,0.907083133438421
EOS-2-39816,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5F)n34)cc2)nc1,FPRGGFOBRCJLEK-UHFFFAOYSA-N,2,1,0.57,57,709,415.403,4.711,5,0.416,0.86,1.0,0.9692276060585292,0.9136539647728051,0.9277465560962237,0.9264529504489069,0.9342702693441163
EOS-2-39817,Fc1cccc(F)c1-c1nnc2cncc(OCc3ccc(-c4ccccn4)cc3)n12,UMXQZGCBPWCWEV-UHFFFAOYSA-N,2,1,0.564,57,671,415.403,4.711,5,0.416,0.89,1.0,0.9335377972722911,0.8638544308135152,0.9092419984922212,0.9080169282434377,0.9036627887053663
EOS-2-39818,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5ccccc5)c4)n23)c1F,AWRHPIZPPCAWGZ-UHFFFAOYSA-N,2,1,0.518,57,962,415.403,4.711,5,0.416,0.79,1.0,0.8292611884038106,0.7957816462202728,0.9367846617778083,0.9375728188609417,0.8748500788157083
EOS-2-39819,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)c(F)c4)n23)cc1,GBPYZTQJXVTQJR-UHFFFAOYSA-N,2,1,0.653,57,709,415.403,4.711,5,0.416,0.81,1.0,0.9788139949283805,0.9267527928174902,0.8976081145911864,0.904710095264204,0.9269712494003153
EOS-2-39820,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)cc1F,CAWJVCSVXBSTMQ-UHFFFAOYSA-N,2,1,0.645,57,951,415.403,4.711,5,0.416,0.82,1.0,0.9742392570762799,0.9403656363511754,0.9367932287026249,0.929571311082174,0.9452423583030636
EOS-2-39821,COc1cc(F)ccc1-c1nnc2cncc(-c3cccc(-c4ccc(F)cn4)c3)n12,PBGPJMPNSKONLN-UHFFFAOYSA-N,2,1,0.386,96,558,415.403,4.807,5,0.422,0.8,1.0,0.5185645260777192,0.5489599753272565,0.917834624083339,0.9080254951682544,0.7233461551641422
EOS-2-39822,Fc1ccc(-c2nnc3cncc(OCc4ccccc4-c4cccnc4)n23)cc1F,DFARIEUSXSQCKH-UHFFFAOYSA-N,2,1,0.595,57,962,415.403,4.711,5,0.416,0.79,1.0,0.9614402714001782,0.9267613597423069,0.9410252895620588,0.9392862038242752,0.9421282811322048
EOS-2-39823,Fc1ccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccccc5)n34)n2)cc1,YZHWHSLPISVZMV-UHFFFAOYSA-N,2,1,0.55,57,461,415.403,4.711,5,0.416,0.84,1.0,0.8708193406894661,0.8485967377150299,0.8618155027071482,0.8779213213624837,0.864788225618532
EOS-2-39824,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2)cc1,MEBVQQDJLKCQMP-UHFFFAOYSA-N,2,1,0.59,83,23,415.403,4.711,5,0.389,0.84,1.0,0.8900263861284353,0.8912942910013022,0.914973271194572,0.9169265300527722,0.9033051195942705
EOS-2-39825,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(F)c5)cc4)n23)cc1,FUEAQCIPRJJXGV-UHFFFAOYSA-N,2,1,0.694,57,326,415.403,4.711,5,0.416,0.83,1.0,0.980424576793914,0.9390634637790419,0.944966074977726,0.9457370982112261,0.9525478034404771
EOS-2-39826,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5F)n34)c2)nc1,NEUJJPOLJVPSOU-UHFFFAOYSA-N,2,1,0.53,57,709,415.403,4.711,5,0.416,0.84,1.0,0.9112637927489549,0.819914673428826,0.9226492358303063,0.9233431567404564,0.8942927146871358
EOS-2-39827,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,DVOPJDAFFQJIAS-UHFFFAOYSA-N,2,1,0.671,57,798,415.403,4.711,5,0.416,0.8,1.0,0.9791309711465972,0.9488554588444932,0.9092505654170379,0.9180316633541225,0.9388171646905626
EOS-2-39828,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)c(F)c1,LOGLBLNUEQYGBP-UHFFFAOYSA-N,2,1,0.603,57,461,415.403,4.711,5,0.416,0.78,1.0,0.852923034747447,0.8913028579261189,0.9063806456034542,0.9115379343430882,0.8905361181550271
EOS-2-39829,Cc1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1ccccc1,GDRLQOMPEXUKSB-UHFFFAOYSA-N,2,1,0.53,57,480,415.403,5.232,5,0.402,0.73,1.0,0.7864950997190049,0.7080049345486944,0.8937958330477692,0.8945839901309026,0.8207199643615928
EOS-2-39830,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ccn5)cc4)n23)cc1,OCNNKLFRENVWKW-UHFFFAOYSA-N,2,1,0.694,57,951,415.403,4.711,5,0.416,0.85,1.0,0.980064765951614,0.9361678431910082,0.934985607566308,0.9358165992735248,0.9467587039956138
EOS-2-39831,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)cc1,LIZQOXHOWYUNLE-UHFFFAOYSA-N,2,1,0.625,57,709,415.403,4.711,5,0.416,0.83,1.0,0.9142193818107053,0.8199232403536426,0.9269840997875403,0.9264615173737235,0.8968970598314029
EOS-2-39832,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2)nc1,KPZLXLQAXMJELZ-UHFFFAOYSA-N,2,1,0.645,57,709,415.403,4.711,5,0.416,0.8,1.0,0.9656808991844288,0.9076057158522377,0.9277551230210404,0.9264700842985402,0.9318779555890618
EOS-2-39833,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1F,JOLWGSRJRGJAGP-UHFFFAOYSA-N,2,1,0.568,57,951,415.403,4.711,5,0.416,0.86,1.0,0.9672486464258789,0.909687478582688,0.9334435610993078,0.9243797546432733,0.933689860187787
EOS-2-39834,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)c1,OMHXYZUDBJCZRR-UHFFFAOYSA-N,2,1,0.529,57,709,415.403,4.711,5,0.416,0.82,1.0,0.882581728462751,0.7837022822287711,0.9252450140497567,0.9233517236652731,0.8787201871016379
EOS-2-39835,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,RWPXKNCTZIATDR-UHFFFAOYSA-N,2,1,0.568,57,709,415.403,4.711,5,0.416,0.82,1.0,0.9588187924062779,0.8938129668974025,0.9311133575491741,0.9264786512233568,0.9275559420190529
EOS-2-39836,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c1F,DVNCYKIXILHWFE-UHFFFAOYSA-N,2,1,0.582,57,326,415.403,4.711,5,0.416,0.8,1.0,0.9650555136728121,0.9096960455075046,0.9479130971146598,0.9433469261873758,0.941502895620588
EOS-2-39837,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1F,YGYHQYNGWJDWHB-UHFFFAOYSA-N,2,1,0.736,57,951,415.403,4.711,5,0.416,0.8,1.0,0.9729028168048797,0.9331779864299911,0.9375728188609417,0.9284490439311904,0.9430256665067507
EOS-2-39838,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)cc4)n23)cc1F,JGQYYTDMDGGXMG-UHFFFAOYSA-N,2,1,0.676,57,326,415.403,4.711,5,0.416,0.79,1.0,0.9470649715578096,0.9285518470289905,0.954946542389144,0.9493780412583099,0.9449853505585635
EOS-2-39839,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,ZHCQQCVEWLDGGJ-UHFFFAOYSA-N,2,1,0.518,57,709,415.403,4.711,5,0.416,0.8,1.0,0.9081197313412378,0.8546107189363306,0.9178431910081557,0.9212699609348228,0.9004609005551367
EOS-2-39840,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1F,HQUJQGDDENVZIG-UHFFFAOYSA-N,2,1,0.768,57,326,415.403,4.711,5,0.416,0.79,1.0,0.9768179014460969,0.9403742032759921,0.9521794256733603,0.9465852237680762,0.9539891885408814
EOS-2-39841,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1F,TXXFJMHTLICAKX-UHFFFAOYSA-N,2,1,0.518,57,709,415.403,4.711,5,0.416,0.81,1.0,0.9081282982660545,0.8722928517579329,0.9205846069494894,0.9191624974299225,0.9050420636008499
EOS-2-39842,Fc1cccc(F)c1COc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,CBXHIAZVJWMFJO-UHFFFAOYSA-N,2,1,0.452,57,198,415.403,4.711,5,0.416,0.79,1.0,0.8005448564183401,0.6833150572270578,0.9063892125282709,0.9169350969775889,0.8267960557878145
EOS-2-39843,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1,AIECMIBGSSYYHI-UHFFFAOYSA-N,2,1,0.613,57,326,415.403,4.711,5,0.416,0.76,1.0,0.9470735384826263,0.9055667877458707,0.94976355287506,0.9472962785278597,0.9374250394078542
EOS-2-39844,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nc5)c4)n23)cc1,YUPAZOZERBSJBH-UHFFFAOYSA-N,2,1,0.667,57,326,415.403,4.711,5,0.389,0.79,1.0,0.9721660612706463,0.9403827702008087,0.9431413199917758,0.9410252895620588,0.9491788602563223
EOS-2-39845,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)cc1,FCHXAMXTAHMUEJ-UHFFFAOYSA-N,2,1,0.689,57,326,415.403,4.711,5,0.389,0.86,1.0,0.9749674456856967,0.929931121924474,0.9462082790761428,0.9417277773970255,0.9482086560208348
EOS-2-39846,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)cc1F,HFTYWVKMVZLRFF-UHFFFAOYSA-N,2,1,0.703,57,962,415.403,4.711,5,0.416,0.79,1.0,0.9289544924953739,0.845058597765746,0.9479216640394764,0.9441864848194093,0.9165303097800014
EOS-2-39847,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)c1F,YXWNDCYLBZSCPN-UHFFFAOYSA-N,2,1,0.465,57,198,415.403,4.711,5,0.416,0.81,1.0,0.8316599273524775,0.708013501473511,0.9186399150161059,0.9233602905900897,0.8454184086080461
EOS-2-39848,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)cc1,DNHQKCOMNSTIHV-UHFFFAOYSA-N,2,1,0.635,57,461,415.403,4.711,5,0.416,0.84,1.0,0.890034953053252,0.9213127955589062,0.929571311082174,0.9340775135357412,0.9187491433075183
EOS-2-39849,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5)n34)cc2)cc1F,LCXMWDJKZSUCEI-UHFFFAOYSA-N,2,1,0.653,57,80,415.403,4.711,5,0.416,0.78,1.0,0.9505088753341101,0.9250222740045233,0.9534987320951271,0.9473048454526763,0.9440836817216093
EOS-2-39850,FC(F)Oc1cccc(-c2ccc(-c3cncc4nnc(-c5ccccc5)n34)nc2)c1,FCRHBLFGRDOFGO-UHFFFAOYSA-N,2,1,0.437,30,366,415.403,5.122,5,0.399,0.88,1.0,0.5035724076485505,0.5969518881502296,0.942567336029059,0.939294770749092,0.7455966006442328
EOS-2-39851,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnccc5F)c4)n23)cc1,KPXUKDUPWNIQKF-UHFFFAOYSA-N,2,1,0.667,57,326,415.403,4.711,5,0.416,0.83,1.0,0.9760297443629635,0.9403913371256254,0.9467565622644095,0.9486669864985265,0.9529611575628812
EOS-2-39852,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)cc4)n23)cc1,RCLRPSMJWILWLT-UHFFFAOYSA-N,2,1,0.694,57,326,415.403,4.711,5,0.389,0.85,1.0,0.9815554108697142,0.9520080871770269,0.9467651291892263,0.9433554931121925,0.95592103008704
EOS-2-39853,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c1,PIIIWONFGKQOOQ-UHFFFAOYSA-N,2,1,0.59,57,326,415.403,4.711,5,0.416,0.79,1.0,0.9626996093482284,0.9029624426016037,0.9462168460009595,0.9450089096018094,0.9392219518881503
EOS-2-39854,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccn5)c4)n23)cc1F,OTTLUSNEPXEJGC-UHFFFAOYSA-N,2,1,0.608,57,951,415.403,4.711,5,0.416,0.72,1.0,0.9667260640120622,0.9331865533548077,0.9326468370913576,0.9264872181481736,0.9397616681516002
EOS-2-39855,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)cc2)cn1,FXJOMWLCNXWBSE-UHFFFAOYSA-N,2,1,0.676,57,913,415.403,5.232,5,0.402,0.82,1.0,0.9377698581317251,0.8913114248509355,0.9484356795284764,0.9350027414159413,0.9281299259817696
EOS-2-39856,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)cc4)n23)cc1,ASTISLSEMXVDLV-UHFFFAOYSA-N,2,1,0.704,57,326,415.403,4.711,5,0.389,0.85,1.0,0.9831402919607978,0.9488640257693098,0.9462254129257761,0.942644438352409,0.9552185422520731
EOS-2-39857,c1cc(-c2nnco2)nc(-c2cncc3nnc(-c4ocnc4-c4cncs4)n23)c1,VANVUPPNBCMPGU-UHFFFAOYSA-N,2,1,0.293,76,368,415.398,3.015,6,0.423,0.58,0.991,0.0867572476183949,0.10576725378658076,0.045447536152422724,0.06263278733465835,0.07515120622301419
EOS-2-39858,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ncn2)nc1,WAIZMMILSUOVPT-UHFFFAOYSA-N,2,1,0.394,18,726,415.392,2.194,5,0.411,0.69,0.949,0.5629840312521417,0.4493095058597766,0.18697313412377492,0.20040607223631005,0.3499181858680008
EOS-2-39859,Cc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)n1,KAGMMHNJVNAYCY-UHFFFAOYSA-N,2,1,0.411,7,85,415.392,2.46,5,0.427,0.68,1.0,0.5998732095127133,0.6110701802480981,0.19033993557672538,0.15955897471043795,0.39021057501199374
EOS-2-39860,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)cn1,CPCYLRBUGGYOJJ-UHFFFAOYSA-N,2,1,0.424,92,182,415.392,2.46,5,0.399,0.69,1.0,0.5573898293468577,0.4537900075388938,0.36817216092111577,0.3011188403810568,0.42011770954698097
EOS-2-39861,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ccn2)nc1,UBJYNGFMRIWJAH-UHFFFAOYSA-N,2,1,0.537,65,359,415.392,2.194,5,0.411,0.59,1.0,0.8708279076142827,0.6883010074703585,0.21143170447536153,0.2064885888561442,0.49426230210403677
EOS-2-39862,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cn1,RDJLNVGSRWMADQ-UHFFFAOYSA-N,2,1,0.461,7,535,415.392,2.46,5,0.427,0.68,1.0,0.62523130697005,0.6392467959701186,0.18047940511274074,0.1595675416352546,0.401131262422041
EOS-2-39863,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)ncc1F,OVBQQHVRKIRLBQ-UHFFFAOYSA-N,2,1,0.402,51,435,415.392,2.46,5,0.427,0.61,1.0,0.6762559111781234,0.6441984785141526,0.22507024878349668,0.1894575423206086,0.4337455451990953
EOS-2-39864,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nn4)n23)nn1,CIQGLKJMXVPDAN-UHFFFAOYSA-N,2,1,0.407,53,670,415.392,2.46,5,0.399,0.68,1.0,0.4738965800836132,0.5029727229113837,0.2179854019601124,0.20351586594476048,0.34959264272496743
EOS-2-39865,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)c1,VPXZDRYISWESIV-UHFFFAOYSA-N,2,1,0.433,65,324,415.392,2.194,5,0.411,0.68,0.957,0.6940751147967925,0.6161417997395655,0.21799396888492906,0.2415101775066822,0.4424302652319923
EOS-2-39866,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nn1,GBHIAIDTWLRCEL-UHFFFAOYSA-N,2,1,0.436,53,602,415.392,2.194,5,0.411,0.71,0.99,0.6113357549174149,0.592274347200329,0.14568912343225277,0.1755105887190734,0.3812024535672675
EOS-2-39867,Fc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)n1,UWEWVEPEQBNLQQ-UHFFFAOYSA-N,2,1,0.438,2,822,415.392,2.194,5,0.411,0.68,1.0,0.5914005208690288,0.6014152559797136,0.28343670755945444,0.2832139675142211,0.4398666129806045
EOS-2-39868,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnncn5)cn4)n23)c1,YMSKGVLAHBDGAC-UHFFFAOYSA-N,2,1,0.443,31,367,415.392,2.194,5,0.411,0.7,0.98,0.6514118292097869,0.6392553628949352,0.28344527448427115,0.2860067850044548,0.465029812898362
EOS-2-39869,N=c1ncc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)n5)n34)c2)c[nH]1,PRTMEOURPVKHIJ-UHFFFAOYSA-N,2,1,0.447,2,419,415.392,2.169,5,0.421,0.71,1.0,0.4685508189980125,0.39456685628126925,0.4489753957919265,0.36497669796449866,0.4192674422589267
EOS-2-39870,N=c1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)c[nH]1,VWXGMBCGSBELSE-UHFFFAOYSA-N,2,1,0.441,55,879,415.392,2.169,5,0.45,0.73,1.0,0.6514203961346036,0.5257521759989034,0.4702470701117127,0.3839952710575012,0.5078537283256802
EOS-2-39871,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)n1,LVOMIKIRXPTOMC-UHFFFAOYSA-N,2,1,0.468,65,262,415.392,2.194,5,0.385,0.68,1.0,0.7217377150298129,0.7793160167226373,0.10817455966006442,0.11265506133918168,0.4304708381879241
EOS-2-39872,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)nn4)n23)c1,SPIAXVAZFNDESA-UHFFFAOYSA-N,2,1,0.447,53,466,415.392,2.194,5,0.411,0.64,1.0,0.6940836817216092,0.6161503666643822,0.2834538414090878,0.29806901514632306,0.4729392262353505
EOS-2-39873,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cn2)n1,ZSLNZPYBMAKRPC-UHFFFAOYSA-N,2,1,0.489,7,85,415.392,2.46,5,0.427,0.67,0.999,0.5824138167363443,0.6544359536700706,0.21800253580974574,0.1865276540333082,0.41034499006236724
EOS-2-39874,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)cnn2)cn1,WBIHYJHWIIRNPZ-UHFFFAOYSA-N,2,1,0.424,7,85,415.392,2.46,5,0.427,0.65,1.0,0.6309454458227675,0.5582036872044411,0.3496333356178466,0.30762970324172434,0.46160304297169485
EOS-2-39875,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)cn4)n23)nn1,KPKVAZZIUJNZEY-UHFFFAOYSA-N,2,1,0.402,53,587,415.392,2.46,5,0.427,0.61,0.994,0.47621821670893016,0.4712151326159962,0.22507881570831334,0.18390617503940784,0.3391045850181619
EOS-2-39876,Cc1cncc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4)n23)n1,RPSOLICIRJFPGB-UHFFFAOYSA-N,2,1,0.449,7,930,415.392,2.46,5,0.427,0.66,1.0,0.6281269275580837,0.5875197039270783,0.177378178329107,0.14896168871221988,0.3854966246316222
EOS-2-39877,Fc1ccnc(CCOc2cncc3nnc(-c4cnnc(-c5cncnc5)c4)n23)c1,ILMLXNHSNFOODE-UHFFFAOYSA-N,2,1,0.474,87,778,415.392,2.194,5,0.411,0.55,1.0,0.6139915016105819,0.6296689740250839,0.3087005688438078,0.31695051744225894,0.4673278904804331
EOS-2-39878,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)cn1,OXGDTYISAGNPEP-UHFFFAOYSA-N,2,1,0.448,54,411,415.392,2.194,5,0.385,0.67,0.999,0.7122369954081283,0.6161589335891988,0.22508738263313002,0.23273764649441436,0.4465552395312179
EOS-2-39879,Cc1ccc(F)c(-c2nnc3cncc(OCc4ncnc(-c5cccnn5)n4)n23)c1,BAZDYXPKFYVEIY-UHFFFAOYSA-N,2,1,0.417,36,839,415.392,2.46,5,0.427,0.73,1.0,0.6281354944829004,0.587528270851895,0.17738674525392364,0.18946610924542526,0.39562915495853607
EOS-2-39880,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)ncn4)n23)ccn1,YPZLSHYOCQSMAE-UHFFFAOYSA-N,2,1,0.435,18,194,415.392,2.194,5,0.385,0.58,1.0,0.6639538071413885,0.5532520046604071,0.34182886710986227,0.3107823315742581,0.46745425262147905
EOS-2-39881,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ncn2)cn1,GDVPCRROICFVFN-UHFFFAOYSA-N,2,1,0.375,7,296,415.392,2.46,5,0.427,0.67,0.746,0.6424765266260023,0.47574703584401346,0.3162394626824755,0.2712202727708862,0.42642082448084434
EOS-2-39882,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nn4)n23)nn1,PLVSBMDBELAMTL-UHFFFAOYSA-N,2,1,0.438,53,670,415.392,2.46,5,0.427,0.73,0.981,0.48859742306901516,0.47122369954081283,0.21144027140017818,0.21261394010006168,0.345968833527517
EOS-2-39883,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ncn2)cn1,RTGUEVDTCMUDTJ-UHFFFAOYSA-N,2,1,0.381,18,194,415.392,2.194,5,0.385,0.65,0.999,0.5419522308272222,0.5163885271742855,0.167629017887739,0.17551915564389006,0.3503722328832842
EOS-2-39884,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ncn2)c1,RHOXOWHLMWGULV-UHFFFAOYSA-N,2,1,0.43,18,194,415.392,2.194,5,0.411,0.68,0.777,0.7064200534576108,0.5627270235076417,0.29416249742992256,0.29807758207113977,0.4653467891165788
EOS-2-39885,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)nc5)n34)cc2)nn1,AQEAGHQARPFRTJ-UHFFFAOYSA-N,2,1,0.531,56,320,415.392,2.46,5,0.399,0.62,1.0,0.8458467548488795,0.6735316290864232,0.2611884038105682,0.20352443286957714,0.49602280515386205
EOS-2-39886,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5cccnc5)nc4)n23)nc1,DTNBFDUZIDXTHW-UHFFFAOYSA-N,2,1,0.535,4,390,415.388,3.487,5,0.416,0.8,1.0,0.7094013432938112,0.7126996093482284,0.581985470495511,0.49341203481598245,0.6243746144883833
EOS-2-39887,Oc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1ccncn1,YRYXVZXGEGHZMT-UHFFFAOYSA-N,2,1,0.495,4,31,415.388,3.067,5,0.436,0.58,1.0,0.7574103899664176,0.6491501610581866,0.5979627852785964,0.5231992324035364,0.6319306421766843
EOS-2-39888,Oc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)n1,CPGJWCPDISZKDZ-UHFFFAOYSA-N,2,1,0.462,97,390,415.388,3.067,5,0.436,0.66,1.0,0.6057843876362141,0.6249314646014666,0.5527037214721403,0.47238023439106297,0.563949952025221
EOS-2-39889,COc1ncncc1-c1cncc2nnc(-c3ccc(Oc4ccc(F)cc4)nc3)n12,QBEZTFQMHLVLPA-UHFFFAOYSA-N,2,1,0.422,96,478,415.388,3.583,5,0.429,0.82,1.0,0.5293417174970872,0.5875368377767116,0.5759714892742102,0.4904136111301487,0.5458159139195393
EOS-2-39890,COc1cc(-c2nnc3cncc(Oc4ccc(F)nc4)n23)ccc1-c1cnccn1,WXHASQLFCOQGRR-UHFFFAOYSA-N,2,1,0.449,13,284,415.388,3.583,5,0.402,0.8,1.0,0.8808255088753341,0.7171544102528956,0.6712442601603729,0.5401103419916387,0.7023336303200602
EOS-2-39891,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)cn1,FBQIKCNJUHTDQZ-UHFFFAOYSA-N,2,1,0.407,19,691,415.388,3.583,5,0.429,0.78,1.0,0.6882324720718251,0.6249400315262833,0.5190785415667192,0.459949626482078,0.5730501679117264
EOS-2-39892,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)cc4F)n23)cn1,KVBSIOLPPQJRGE-UHFFFAOYSA-N,2,1,0.443,13,412,415.388,3.583,5,0.429,0.73,1.0,0.8032520046604071,0.7879172092385717,0.6984185456788431,0.5791155506819272,0.7171758275649374
EOS-2-39893,COc1cncc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)cc5)n34)nc2)n1,OYKVZMBBCSNDMH-UHFFFAOYSA-N,2,1,0.487,13,412,415.388,3.583,5,0.429,0.75,1.0,0.8595538345555479,0.8276420396134604,0.5819940374203276,0.47822287711603045,0.6868531971763416
EOS-2-39894,Oc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccc(F)nc5)c4)n23)cc1,LCKNXDWORKRNIW-UHFFFAOYSA-N,2,1,0.483,72,992,415.388,3.067,5,0.436,0.53,1.0,0.8729182372695498,0.7080220683983277,0.6463573435679528,0.5915375916660955,0.7047088102254815
EOS-2-39895,NC(=O)c1ccc(-c2nnc3cncc(OCc4noc(-c5cccnn5)n4)n23)cc1,QSTDEEKFGORKMI-UHFFFAOYSA-N,2,1,0.5,89,731,415.373,1.309,5,0.428,0.83,1.0,0.447467617024193,0.18721300801864163,0.03931361798368858,0.021057501199369475,0.17376293605647317
EOS-2-39896,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4nnn(-c5ccccc5)n4)n23)cc1,YKWYJJKFNPFPFE-UHFFFAOYSA-N,2,1,0.547,43,288,415.373,2.254,5,0.302,0.69,1.0,0.4835258035775478,0.20525495168254404,0.05439997258584059,0.018290384483585772,0.19036777808237956
EOS-2-39897,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnco5)cn4)n23)cc1,QHIHNCYDHGZBCF-UHFFFAOYSA-N,2,1,0.568,97,744,415.369,3.329,5,0.302,0.72,1.0,0.5795438969227606,0.20080871770269343,0.3798146117469673,0.15409327667740388,0.3285651257624563
EOS-2-39898,N#Cc1ccc(-c2nnc3cncc(OCc4nnc(-c5cnccn5)o4)n23)c(F)c1,XTQHYLQCVOIAQJ-UHFFFAOYSA-N,2,1,0.467,92,540,415.348,2.221,5,0.419,0.73,1.0,0.6453550133644027,0.7357189363306148,0.30515386196970734,0.34219724487697895,0.5071062641354259
EOS-2-39899,N#Cc1ccc(-c2nc(COc3cncc4nnc(-c5cncc(F)c5)n34)no2)cn1,NRXSIBZJPLOFPQ-UHFFFAOYSA-N,2,1,0.43,51,85,415.348,2.221,5,0.419,0.71,1.0,0.6029316016722637,0.5627355904324584,0.28346240833390446,0.2919350969775889,0.43526617435405385
EOS-2-39900,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(Br)c4)n23)c1,JLOOVGDXPMAOCF-UHFFFAOYSA-N,2,1,0.53,16,772,484.701,4.231,5,0.365,0.63,1.0,0.8189380439997258,0.7709118634774861,0.6432732506339525,0.6707816462202728,0.7259762010828592
EOS-2-39901,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)c(Br)c1,VSTBHBGVUVRPQH-UHFFFAOYSA-N,2,1,0.541,34,389,484.701,4.231,5,0.365,0.69,1.0,0.7154067575902954,0.8515865944760469,0.5820026043451443,0.627218833527517,0.6940536974847509
EOS-2-39902,CN(C)c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1Cl,QXMMMAAYFNMTAT-UHFFFAOYSA-N,2,1,0.554,90,555,415.284,4.138,4,0.488,0.76,1.0,0.5445308751970392,0.4937033102597492,0.8113905832362415,0.734939346172298,0.646141028716332
EOS-2-39903,NCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,MQRYWBBBFPNGDC-UHFFFAOYSA-N,2,1,0.571,90,400,415.284,3.573,4,0.518,0.78,1.0,0.8058991844287574,0.6205880337194161,0.7241621547529299,0.794333835926256,0.7362458022068399
EOS-2-39904,OCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)cc1,MYMQAGFSQSQKHR-UHFFFAOYSA-N,2,1,0.697,48,231,415.28,4.212,4,0.511,0.84,1.0,0.982129394832431,0.9738451785347132,0.934265985881708,0.945017476526626,0.9588145089438695
EOS-2-39905,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5Br)n34)c(Cl)c2)nn1,VVPXKWSMADREEN-UHFFFAOYSA-N,2,1,0.391,45,46,484.72,4.809,5,0.367,0.8,1.0,0.2026591734630937,0.45809060379686106,0.8495648002193132,0.9012147899390035,0.6028823418545679
EOS-2-39906,Clc1ccc(-c2nnc3cncc(-c4cnc(-c5c[nH]nn5)s4)n23)c(Cl)c1,HYQFDZCMZNSMFS-UHFFFAOYSA-N,2,1,0.359,22,844,415.269,4.007,5,0.478,0.64,1.0,0.09893941470769653,0.3849204989377013,0.4345572613254746,0.6707902131450895,0.3973018470289905
EOS-2-39907,Clc1ccc(-c2nncnc2COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1,YTWBNFOLGLKVPD-UHFFFAOYSA-N,2,1,0.529,34,146,484.734,5.183,5,0.339,0.68,1.0,0.8005534233431567,0.9157785621273388,0.7943852374751559,0.908034062093071,0.8546878212596806
EOS-2-39908,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cncc(Cl)n5)c(Cl)c4)n23)c1,DSNFZZUJMGTMBY-UHFFFAOYSA-N,2,1,0.512,16,89,484.734,5.183,5,0.339,0.65,1.0,0.884594955794668,0.8665016105818656,0.8716760331711328,0.9180402302789391,0.8852032074566514
EOS-2-39909,Clc1ncc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cccc5Cl)n34)ccn2)cn1,WAIQEYAAWKCEFB-UHFFFAOYSA-N,2,1,0.5,59,332,484.734,5.183,5,0.317,0.7,1.0,0.7749211842916867,0.8312058803371941,0.8744174491124665,0.9135168939757384,0.8485153519292714
EOS-2-39910,Clc1cc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)cc(-c2ccccn2)n1,AVKDRTOOAMYBPD-UHFFFAOYSA-N,2,1,0.477,24,980,484.734,5.183,5,0.317,0.67,1.0,0.7428637516277157,0.7493317798642999,0.8113991501610582,0.8822304845452676,0.7964562915495854
EOS-2-39911,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncc4Cl)n23)cc1,UIQPKUQDBVKDEV-UHFFFAOYSA-N,2,1,0.608,34,389,484.734,5.183,5,0.339,0.76,1.0,0.9250222740045233,0.9625197039270783,0.8413662531697622,0.9080426290178878,0.909237715029813
EOS-2-39912,Clc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c2)nc1,YCOKOEQBVCITGD-UHFFFAOYSA-N,2,1,0.523,73,665,484.734,5.183,5,0.339,0.7,1.0,0.8483397299705298,0.9194195051744226,0.8258601192515934,0.8931961483106025,0.8717038756767871
EOS-2-39913,Clc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,JWSBAXJOSQAETR-UHFFFAOYSA-N,2,1,0.506,73,210,484.734,5.183,5,0.317,0.71,1.0,0.8032605715852238,0.8913199917757522,0.7060259749160441,0.8419916386813789,0.8106495442395998
EOS-2-39914,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)n5)cn4)n23)c(Cl)c1,YZYKJGBFIPDCDT-UHFFFAOYSA-N,2,1,0.517,59,210,484.734,5.183,5,0.317,0.72,1.0,0.72483037488863,0.9231289836200397,0.777259954766637,0.8723613871564663,0.8243951751079431
EOS-2-39915,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(Cl)c5)nc4)n23)n1,FANVFOAXTLPPEA-UHFFFAOYSA-N,2,1,0.453,59,401,484.734,5.183,5,0.339,0.81,1.0,0.6851740799122746,0.8486053046398465,0.8413748200945789,0.9023113563155369,0.8193663902405592
EOS-2-39916,N#Cc1ncc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1Cl,USQRDVGCTFAXOJ-UHFFFAOYSA-N,2,1,0.618,90,255,415.215,4.083,4,0.499,0.78,1.0,0.9662206154478789,0.9774004523336303,0.952907614282777,0.9643958604619286,0.9652311356315536
EOS-2-39917,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4nnccc4-c4ccc(Cl)cn4)n23)nc1,DARWRQUMMRCWLV-UHFFFAOYSA-N,2,1,0.415,27,128,484.829,4.29,5,0.364,0.57,1.0,0.6484305393735864,0.7262696182578302,0.9252535809745733,0.8918425741895689,0.7979490781988897
EOS-2-39918,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)cnc1C(F)F,JTEVSNDBGDDICY-UHFFFAOYSA-N,2,1,0.447,46,238,484.829,4.347,5,0.35,0.65,0.911,0.642485093550819,0.7357275032554315,0.8445445822767459,0.8162223288328422,0.7597448769789595
EOS-2-39919,FC(F)(F)c1cc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)ccc1Cl,KIMRIWFAOLESRW-UHFFFAOYSA-N,2,1,0.506,51,969,484.829,4.29,5,0.364,0.68,1.0,0.9367332602289082,0.9608405866630114,0.959795421835378,0.9212785278596395,0.9446619491467343
EOS-2-39920,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)c(F)nc1F,DGXRVFUZADTJNB-UHFFFAOYSA-N,2,1,0.421,54,411,484.829,3.731,5,0.336,0.6,0.771,0.8640943047083819,0.8546192858611473,0.7422812007401823,0.7826399835515043,0.8109086937153039
EOS-2-39921,FC(F)(F)c1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nn1,IZPLAPAQLIEMJW-UHFFFAOYSA-N,2,1,0.529,27,52,484.829,4.29,5,0.364,0.64,1.0,0.8189466109245426,0.9267699266671235,0.9020372147214036,0.8559899938318142,0.875935936536221
EOS-2-39922,FC(F)(F)c1cnc(-c2ncccc2-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)nc1,CZSNPLFLAPQQMB-UHFFFAOYSA-N,2,1,0.467,27,343,484.829,4.29,5,0.34,0.68,0.986,0.8391474196422453,0.8348125556850113,0.9149818381193887,0.8709135768624494,0.8649638475772736
EOS-2-39923,COc1ncc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nc1-c1ncc(Cl)cn1,JTHBZLUTJDBICF-UHFFFAOYSA-N,2,1,0.376,50,243,484.829,4.386,5,0.37,0.75,1.0,0.8111592762661914,0.8416232609142622,0.8618240696319649,0.8029692961414571,0.829393975738469
EOS-2-39924,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)ccn2)nc1F,BFDNMGIRMAWNQY-UHFFFAOYSA-N,2,1,0.478,58,583,484.829,3.731,5,0.336,0.61,1.0,0.8572150640805977,0.8830357754780344,0.6901771640052087,0.7349479130971147,0.7913439791652389
EOS-2-39925,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)nn2)c(F)c1,ADQOMEJTQDIGHN-UHFFFAOYSA-N,2,1,0.462,54,691,484.829,3.731,5,0.336,0.62,0.998,0.8529316016722637,0.8609331094510314,0.6194400657939826,0.7292851757932972,0.7656474881776437
EOS-2-39926,FC(F)(F)c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)cn1,DTWGHEPNZFPVEE-UHFFFAOYSA-N,2,1,0.472,55,282,484.829,4.29,5,0.34,0.66,1.0,0.8862912069083682,0.9005637036529367,0.8997155780960866,0.8008618326365567,0.8718580803234871
EOS-2-39927,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)cn1,DHGVDDJJALDXNU-UHFFFAOYSA-N,2,1,0.511,27,69,484.829,4.29,5,0.34,0.74,1.0,0.8111678431910082,0.911700705914605,0.9269926667123569,0.8612329518196148,0.8777735419093963
EOS-2-39928,FC(F)(F)c1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,BEEIVCUBYKZPSA-UHFFFAOYSA-N,2,1,0.542,27,335,484.829,4.29,5,0.364,0.74,1.0,0.9558375025700775,0.9738537454595299,0.8397813720786786,0.7530241244602838,0.8806241861421424
EOS-2-39929,Fc1cnc(-c2nc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)ccc2F)cn1,YVZSHXDJEYJEKK-UHFFFAOYSA-N,2,1,0.424,18,773,484.829,3.731,5,0.336,0.61,0.997,0.8595624014803646,0.8609416763758482,0.6984271126036597,0.7453738605989993,0.791076262764718
EOS-2-39930,FC(F)(F)c1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,FCLTYQPITVJKNJ-UHFFFAOYSA-N,2,1,0.435,46,181,484.829,4.29,5,0.34,0.72,1.0,0.6729747789733397,0.6637910355698718,0.9311219244739908,0.8627578644369817,0.782661400863546
EOS-2-39931,OCCOc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)no1,MHHQCVDMSCFEJX-UHFFFAOYSA-N,2,1,0.441,51,196,484.835,2.374,5,0.346,0.69,1.0,0.8292697553286272,0.6062041669522308,0.22509594955794668,0.22994482900418067,0.47262867521074636
EOS-2-39932,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)c(Cl)c4)n23)cc1F,WTTNVNSAESGHRO-UHFFFAOYSA-N,2,1,0.754,57,853,484.84,6.247,5,0.277,0.75,1.0,0.9951939551778494,0.9929494208758823,0.9962305530806662,0.9987920636008498,0.995791498183812
EOS-2-39933,Fc1ccc(OCc2ccc(F)c(F)c2)c(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,JJIXKBWTGSWPJU-UHFFFAOYSA-N,2,1,0.512,45,13,484.84,6.247,5,0.277,0.73,1.0,0.8619268727297649,0.947827427866493,0.9957336714412994,0.9985179220067165,0.9510014735110685
EOS-2-39934,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccc2F)cc1F,OYZTYNBDMRHIEQ-UHFFFAOYSA-N,2,1,0.757,57,853,484.84,6.247,5,0.277,0.76,1.0,0.994714207388116,0.9933434994174491,0.9963162223288329,0.9989120005482832,0.9958214824206704
EOS-2-39935,Fc1ccc(-c2ccc(F)c(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cc1F,ADCLSOWOYWJFPQ-UHFFFAOYSA-N,2,1,0.704,57,853,484.84,6.247,5,0.277,0.75,1.0,0.9804331437187307,0.9832430950585977,0.9957422383661161,0.9986978274278665,0.9895290761428278
EOS-2-39936,FC(F)c1ccc(-c2nnc3cncc(C(F)(F)c4cncc(-c5cncc(Cl)c5)c4)n23)cc1,UPUZYIWEJYKLEG-UHFFFAOYSA-N,2,1,0.379,14,676,484.844,5.979,5,0.287,0.76,1.0,0.40190014392433693,0.6249485984511,0.9984493866081832,0.9984750873826331,0.7559433040915633
EOS-2-39937,Cn1cc(-c2cncc(COc3cncc4nnc(-c5cc(Cl)ccc5OC(F)F)n34)n2)cn1,ZDGMXJXCYWEPDE-UHFFFAOYSA-N,2,1,0.468,92,399,484.854,3.816,5,0.343,0.64,1.0,0.46855938592282914,0.6110787471729148,0.7841220615447879,0.7401823041600987,0.6509856247001576
EOS-2-39938,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2OC(F)F)cn1,WVDAOEIWGZHERF-UHFFFAOYSA-N,2,1,0.516,36,208,484.854,3.816,5,0.343,0.6,1.0,0.5795524638475773,0.7310242615310808,0.8091460489342746,0.7428723185525323,0.7156487732163663
EOS-2-39939,Cn1nc(-c2cccc(Cl)n2)nc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,LRABXOUSHWUCAO-UHFFFAOYSA-N,2,1,0.588,36,996,484.854,3.816,5,0.321,0.73,1.0,0.6514289630594202,0.827650606538277,0.4908933589198821,0.5401189089164553,0.6275229593585087
EOS-2-39940,Cn1cc(-c2nnc3cncc(OCc4cnccn4)n23)c(-c2ccc(OC(F)F)c(Cl)c2)n1,WOBRVSBYQIFBJP-UHFFFAOYSA-N,2,1,0.489,27,815,484.854,3.816,5,0.343,0.65,1.0,0.38219621684600097,0.5117880885477349,0.7494688506613666,0.7108405866630114,0.5885734356795285
EOS-2-39941,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ncc1Cl,ZQNCVGQEXRNUGH-UHFFFAOYSA-N,2,1,0.651,36,996,484.854,3.816,5,0.343,0.76,1.0,0.7574189568912343,0.8416318278390789,0.7519532588582003,0.7292937427181139,0.7700744465766569
EOS-2-39942,CC(F)(F)n1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1,NXWJRJFMDSNFIU-UHFFFAOYSA-N,2,1,0.426,31,773,484.858,3.079,5,0.321,0.62,1.0,0.541960797752039,0.5718679322870263,0.40876225070248784,0.35825166198341446,0.47021066068124184
EOS-2-39943,Clc1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)nn1,AYWRHQBOQCDLJL-UHFFFAOYSA-N,2,1,0.467,40,355,484.867,3.321,6,0.343,0.6,1.0,0.6544616544445206,0.6883095743951751,0.26837605373175244,0.27720855321773696,0.4720889589472963
EOS-2-39944,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5nnc(-c6cnccn6)o5)n4)n23)cc1,OZTZPFFWEXZBFY-UHFFFAOYSA-N,2,1,0.536,80,277,484.867,3.321,6,0.343,0.57,1.0,0.6424936604756357,0.8416403947638955,0.17070454389692277,0.23870022616681516,0.4733847063258173
EOS-2-39945,Clc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nc5)n34)cn2)cn1,WULBMOALVBHKFB-UHFFFAOYSA-N,2,1,0.457,6,843,484.867,3.321,6,0.321,0.63,0.998,0.6762644781029402,0.6062127338770475,0.31624802960729215,0.28903090946473853,0.4719390377630046
EOS-2-39946,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)ccc1Cl,UHRBMXJAOFREFI-UHFFFAOYSA-N,2,1,0.737,91,781,484.869,5.464,5,0.306,0.73,1.0,0.8970855321773696,0.9419162497429923,0.9714892742101295,0.9619285861147283,0.9431049105613049
EOS-2-39947,Cc1ccc(-c2nnc3cncc(-c4c(Oc5ccc(Cl)c(F)c5)nc(C)n4C(F)F)n23)cc1,QUZKOBGYJGZYMD-UHFFFAOYSA-N,2,1,0.457,96,316,484.869,6.252,5,0.295,0.7,0.998,0.6140000685353986,0.7493403467891165,0.9261017065314234,0.9148533342471387,0.8010738640257694
EOS-2-39948,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1ccc(F)c(F)c1,ZDRHZNAEUWOLLQ-UHFFFAOYSA-N,2,1,0.638,88,570,484.869,4.884,5,0.343,0.8,1.0,0.712245562332945,0.7127081762730451,0.9382581728462751,0.9479987663628264,0.827802669453773
EOS-2-39949,Fc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cnn(C(F)F)c1,WAQJVEHTGDYGOE-UHFFFAOYSA-N,2,1,0.688,88,222,484.869,5.464,5,0.306,0.67,1.0,0.8162394626824755,0.9117092728394216,0.9656123637858954,0.9613717360016448,0.9137332088273593
EOS-2-39950,Cn1nc(-c2ccc(Cl)cc2)cc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,AKOXTBYHUNAUCV-UHFFFAOYSA-N,2,1,0.561,43,138,484.869,5.443,5,0.332,0.78,1.0,0.8506870673702968,0.9267784935919402,0.982694811870331,0.9698872592694127,0.9325119080254951
EOS-2-39951,Cc1nc(-c2c(F)ccc(F)c2F)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C,GTCYBCDYTIONHE-UHFFFAOYSA-N,2,1,0.568,34,929,484.869,5.15,5,0.323,0.55,1.0,0.9097131793571379,0.9267870605167569,0.8527602631759303,0.8835583578918511,0.893204715235419
EOS-2-39952,Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,RIIYUCAFGBZKAC-UHFFFAOYSA-N,2,1,0.588,43,138,484.869,5.443,5,0.332,0.76,1.0,0.8641028716331985,0.9445377287368926,0.9829689534644644,0.9698958261942293,0.9403763450071961
EOS-2-39953,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)cc1-c1ccc(F)c(Cl)c1,MWMQETXHPWQBKB-UHFFFAOYSA-N,2,1,0.517,88,570,484.869,4.884,5,0.343,0.72,1.0,0.6574001096566376,0.6833236241518744,0.9311304913988074,0.9457456651360427,0.8043999725858406
EOS-2-39954,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1-c1ccc(F)c(F)c1,YOHWDWTZWBNJIO-UHFFFAOYSA-N,2,1,0.517,88,570,484.869,4.884,5,0.343,0.68,1.0,0.6574086765814543,0.6784747447056405,0.9318758138578576,0.9457542320608594,0.8033783668014529
EOS-2-39955,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)cc4)n23)ccc1Cl,ZBHJZGITKKYXRE-UHFFFAOYSA-N,2,1,0.7,91,781,484.869,5.464,5,0.306,0.75,1.0,0.9729113837296964,0.9541926530052772,0.9760982797614968,0.969904393119046,0.968276677403879
EOS-2-39956,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cc2F)cc1F,XYGORAHFHTZMOO-UHFFFAOYSA-N,2,1,0.705,88,781,484.869,4.884,5,0.343,0.71,1.0,0.9607549174148448,0.9488725926941265,0.9437495716537592,0.9441950517442259,0.9493930333767391
EOS-2-39957,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5c(F)ccc(Cl)c5F)n34)ccc2F)cn1,ZFGYUBXRZARLHB-UHFFFAOYSA-N,2,1,0.566,88,70,484.869,4.884,5,0.321,0.48,1.0,0.8900435199780686,0.9136625316976218,0.960309437324378,0.9589644301281612,0.9307449797820575
EOS-2-39958,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5C(F)(F)F)n34)cc2)cn1,JQYAKHAFVHOJRH-UHFFFAOYSA-N,2,1,0.58,43,322,484.869,5.443,5,0.332,0.79,1.0,0.8366458775957782,0.8962288396957029,0.9915358782811322,0.9806730176135974,0.9262709032965526
EOS-2-39959,Cn1nc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)cc1-c1ccc(Cl)cc1F,KNPOMEOFGHXMRC-UHFFFAOYSA-N,2,1,0.54,88,266,484.869,4.884,5,0.343,0.68,0.982,0.6821670893016243,0.7310328284558975,0.9112209581248715,0.9340860804605579,0.8146267390857378
EOS-2-39960,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(Cl)c(F)c6)n5)n34)cc2)o1,GZSUVUJPIIKALL-UHFFFAOYSA-N,2,1,0.333,3,186,484.882,5.066,6,0.341,0.71,1.0,0.4038791035569872,0.6205966006442327,0.7136334041532452,0.745382427523816,0.6208728839695703
EOS-2-39961,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnc6ccccc6n5)nc4)n23)c(Cl)cn1,RFTIKFUORSRKGT-UHFFFAOYSA-N,2,1,0.417,28,109,484.882,4.563,6,0.328,0.6,1.0,0.8808340758001508,0.8695343019669659,0.6847628675210746,0.7187649921184291,0.788474059351655
EOS-2-39962,Cc1ncc(-c2nnc3cncc(-c4cnc(-c5cnco5)cc4Cl)n23)c(-c2ccc(F)cc2)n1,VBPVUONEAFUVGZ-UHFFFAOYSA-N,2,1,0.329,42,693,484.882,5.066,6,0.341,0.66,0.998,0.3521177438146803,0.46272531012267837,0.6546758275649373,0.7160835446508121,0.546400606538277
EOS-2-39963,Fc1ccc(Cl)cc1-n1cc(-c2cncc3nnc(-c4cccnc4Oc4ccccc4)n23)nn1,QYDOARJUUDPXGK-UHFFFAOYSA-N,2,1,0.324,10,783,484.882,5.019,6,0.339,0.64,1.0,0.10414810499623055,0.3707936399150161,0.6463659104927695,0.7321979302309642,0.4633763964087451
EOS-2-39964,Cc1nc(-c2cccc(Cl)c2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1F,YRWKFSVCKFCORM-UHFFFAOYSA-N,2,1,0.333,32,572,484.882,5.066,6,0.341,0.6,1.0,0.32083133438420947,0.44931807278459324,0.6074720718250977,0.6767013912685902,0.5135807175656226
EOS-2-39965,Fc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4ccc5ncccc5n4)n23)nc1,SOKGVKDDZUTOGS-UHFFFAOYSA-N,2,1,0.449,28,891,484.882,4.563,6,0.328,0.66,0.826,0.8005619902679734,0.8830443424028511,0.5560876567747242,0.6272274004523336,0.7167303474744705
EOS-2-39966,Cc1ncccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cc(Cl)ccn5)o4)n23)c(F)c1,BKDAZZWRPOTHBB-UHFFFAOYSA-N,2,1,0.327,3,572,484.882,5.066,6,0.341,0.61,0.991,0.2869320128846549,0.462733877047495,0.5915889932149956,0.6678431910081557,0.5022745185388253
EOS-2-39967,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5c(F)cc(-c6cncnn6)cc5Cl)n34)cc2)o1,RESCPEXTMUMTMP-UHFFFAOYSA-N,2,1,0.325,3,192,484.882,5.066,6,0.341,0.71,1.0,0.35212631073949696,0.5301127407305873,0.7923377424439723,0.7943424028510726,0.6172297991912823
EOS-2-39968,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4cc5cnccc5nn4)cc3)n12,MFECQESADOYQES-UHFFFAOYSA-N,2,1,0.458,40,22,484.882,4.563,6,0.35,0.55,1.0,0.7366869988348982,0.8576862449455144,0.7241707216777465,0.7607686244945514,0.7698281474881776
EOS-2-39969,Cn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nc4)cn3)n12,DFPBNPJURNMFFX-UHFFFAOYSA-N,2,1,0.296,8,934,484.886,3.898,6,0.346,0.68,0.863,0.16913679665547254,0.26097423069015147,0.3570694263587143,0.4845966691796313,0.3179442807209924
EOS-2-39970,Cn1cnnc1-c1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)cn1,UAFKOHONCOUGFS-UHFFFAOYSA-N,2,1,0.34,70,314,484.886,3.898,6,0.37,0.67,1.0,0.30305496538962373,0.48899150161058186,0.49090192584469877,0.5791241176067439,0.46551812761291206
EOS-2-39971,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)nc5-c5cnccc5F)n34)nc2)n1,ZDBRXRJNMCRKOO-UHFFFAOYSA-N,2,1,0.287,70,968,484.886,3.898,6,0.346,0.62,0.919,0.26280755260091837,0.38052566650675074,0.48065588376396406,0.5437341511890892,0.4169308135151806
EOS-2-39972,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6ccc(F)nn6)cc5)n34)cn2)nn1,KIZQRIRMDMEFBQ-UHFFFAOYSA-N,2,1,0.321,98,424,484.886,3.898,6,0.37,0.65,0.93,0.20543485710369405,0.29243197861695563,0.5257264752244535,0.5915461585909122,0.4037848673840039
EOS-2-39973,Cn1c(-c2nnc(-c3cccnc3F)nn2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,SLGLCHMCTMYMFG-UHFFFAOYSA-N,2,1,0.413,3,474,484.886,3.898,6,0.346,0.63,1.0,0.2218490850524296,0.5212545404701528,0.35707799328353096,0.5097919950654513,0.4024934034678912
EOS-2-39974,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nc4)nc3)n12,CPNISWQAOHQTLZ-UHFFFAOYSA-N,2,1,0.35,8,474,484.886,3.898,6,0.346,0.65,0.952,0.16373963402097183,0.3756853539853334,0.3570865602083476,0.4782314440408471,0.343685748063875
EOS-2-39975,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(Cl)c(-c5cccc(F)c5)c4)n23)cnn1,UNOCTESRSXBZLN-UHFFFAOYSA-N,2,1,0.345,3,219,484.886,3.898,6,0.37,0.66,1.0,0.2083476115413611,0.48428825988623125,0.4909104927695154,0.6707987800699061,0.46358628606675345
EOS-2-39976,Fc1ccc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cc1Cl,WETYJDPOQKAVKK-UHFFFAOYSA-N,2,1,0.371,3,50,484.886,3.743,6,0.363,0.69,1.0,0.24142450825851552,0.3805342334315674,0.4159156329244055,0.5696062641354259,0.4018701596874785
EOS-2-39977,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cc(Cl)cnc4-c4cccc(F)n4)n23)c1,CABIDQWJOIOPAK-UHFFFAOYSA-N,2,1,0.308,25,219,484.886,3.898,6,0.346,0.68,1.0,0.21114899595641148,0.3317284627510109,0.34558118017956274,0.48460523610444795,0.3432659687478583
EOS-2-39978,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncc(Cl)n5)cc4F)n23)c1,LJCVXBCFPUBYME-UHFFFAOYSA-N,2,1,0.353,25,219,484.886,3.898,6,0.37,0.69,1.0,0.20266774038791036,0.3272222602974436,0.4769549722431636,0.5915547255157289,0.39959992461106164
EOS-2-39979,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5F)n34)nn2)n1,SYXFDWVLGFBHSF-UHFFFAOYSA-N,2,1,0.33,10,783,484.886,3.992,6,0.369,0.71,0.731,0.030515386196970737,0.22547289424988007,0.4419847851415256,0.5167911726406689,0.30369105955726133
EOS-2-39980,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccn(-c6ccc(F)c(Cl)c6)n5)n34)cc2)cc1,KRVDBRIPXQOTSO-UHFFFAOYSA-N,2,1,0.387,83,950,484.897,6.243,6,0.297,0.8,1.0,0.10159516140086354,0.4627424439723117,0.9647899390034953,0.9786426564320472,0.6269425502021795
EOS-2-39981,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)c(F)c6)cc5)n34)cn2)c1,BMTLFECHRLXPMH-UHFFFAOYSA-N,2,1,0.394,83,68,484.897,6.243,6,0.297,0.75,1.0,0.06257281886094168,0.4363905832362415,0.9710523610444795,0.982077993283531,0.6130234391062984
EOS-2-39982,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3cc(-c4ncco4)ccc3Cl)n12,IHQXAJWZJUGVSI-UHFFFAOYSA-N,2,1,0.452,77,177,484.903,5.642,6,0.299,0.69,1.0,0.6851826468370914,0.6735401960112398,0.5221626345007196,0.5467925433486396,0.6069195051744227
EOS-2-39983,OCc1cc(F)c(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)ncn2)cn1,LVVBBNCALYVCEV-UHFFFAOYSA-N,2,1,0.394,31,194,484.904,3.006,5,0.371,0.53,0.982,0.5086354602152011,0.4580991707216778,0.2871376190802549,0.3422058118017956,0.3990195154547324
EOS-2-39984,COc1cc(-c2nnc3cncc(OCc4ccc(-n5ccc6ccncc65)nn4)n23)ccc1Cl,WVCKOGCQFRHLQZ-UHFFFAOYSA-N,2,1,0.44,4,67,484.907,4.161,6,0.347,0.62,1.0,0.5547340826536906,0.7216520457816462,0.5820111712699609,0.5631382358988417,0.6053838839010348
EOS-2-39985,Cn1cnnc1-c1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,MGDCFBDMBPYZNJ-UHFFFAOYSA-N,2,1,0.536,67,755,484.907,4.474,6,0.34,0.67,1.0,0.8292783222534439,0.7667826057158522,0.6251970392707834,0.6186176410115825,0.7099689020629155
EOS-2-39986,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5nnco5)nn4Cc4ccccc4)n23)cc1,KOYDFHUZMATSOI-UHFFFAOYSA-N,2,1,0.545,77,897,484.907,4.319,6,0.329,0.65,1.0,0.5768196148310603,0.7357360701802481,0.3381622232883284,0.44404941402234255,0.5236918305804947
EOS-2-39987,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nc5)no4)n23)cc1,MARHTALFYHALPD-UHFFFAOYSA-N,2,1,0.478,40,2,484.907,4.474,6,0.318,0.78,1.0,0.7186450551709959,0.6347577273661846,0.5257350421492701,0.4904221780549654,0.592390000685354
EOS-2-39988,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)c5)o4)n23)cc1,TVDANRSPWNWRPX-UHFFFAOYSA-N,2,1,0.523,40,25,484.907,4.474,6,0.34,0.61,1.0,0.7749297512165033,0.6296775409499006,0.4877321636625317,0.46613494619971213,0.589618600507162
EOS-2-39989,Cn1cc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)c(-c2ccc(-c3nnco3)cc2)n1,WMEPKIRTZNNFIS-UHFFFAOYSA-N,2,1,0.505,77,323,484.907,4.474,6,0.34,0.67,1.0,0.42212665341648964,0.5439911589335892,0.5119080254951682,0.523207799328353,0.5003084092934
EOS-2-39990,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccc(-c3nnco3)cc2)n1,OSYOZLGAOVFNHO-UHFFFAOYSA-N,2,1,0.585,77,323,484.907,4.474,6,0.34,0.65,1.0,0.6169984922212323,0.7493489137139332,0.5323058734836543,0.540127475841272,0.6096951888150229
EOS-2-39991,CCn1nc(-c2ccc(Cl)cc2)cc1Oc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,JHJRLWQNBVKKJK-UHFFFAOYSA-N,2,1,0.457,77,937,484.907,5.17,6,0.318,0.68,1.0,0.6170070591460489,0.6883181413199918,0.4384123774929751,0.45995819340689464,0.5509239428414776
EOS-2-39992,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)o1,QMKOZOLJNNLZML-UHFFFAOYSA-N,2,1,0.408,81,414,484.907,4.568,6,0.338,0.64,1.0,0.347688643684463,0.4088136522513878,0.4489839627167432,0.4846138030292646,0.42252501542046467
EOS-2-39993,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5Cl)n34)cc2)cn1,PXHUGZVSRUWPDV-UHFFFAOYSA-N,2,1,0.506,77,245,484.907,4.474,6,0.34,0.65,1.0,0.6425022274004524,0.6392639298197519,0.7034987320951271,0.6621376190802549,0.6618506270988965
EOS-2-39994,Oc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ncnc2[nH]ccc12,SSJJUHXYLNZCTF-UHFFFAOYSA-N,2,1,0.453,11,490,484.907,4.105,6,0.361,0.53,0.972,0.8458553217736962,0.8723014186827497,0.5084041532451511,0.5401360427660887,0.6916742341169215
EOS-2-39995,Cn1nc(-c2nnc(-c3ccccc3)o2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,SKPUNZSVTCHHHM-UHFFFAOYSA-N,2,1,0.523,77,897,484.907,4.474,6,0.34,0.69,0.993,0.6453635802892194,0.8161709272839421,0.305162428894524,0.38400383798231785,0.5376751936125008
EOS-2-39996,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cn(C)nc3-c3cccc(Cl)c3)n12,KIVTYLXAZONVOE-UHFFFAOYSA-N,2,1,0.322,3,340,484.907,4.571,6,0.35,0.63,0.999,0.3429854019601124,0.39457542320608596,0.5155918031663355,0.509800561990268,0.4407382975807005
EOS-2-39997,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cc2ccncc2nn1,AHRVMQTXQYJNSW-UHFFFAOYSA-N,2,1,0.416,95,466,484.911,3.2,6,0.35,0.57,0.874,0.4638475772736618,0.4669488040572956,0.21144883832499486,0.28601535192927147,0.3570651428963059
EOS-2-39998,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cccc(-n5ccnc5)c4)n23)cnc1Cl,BQICMARTQIXPFV-UHFFFAOYSA-N,2,1,0.42,6,247,484.911,3.4,6,0.33,0.63,1.0,0.35010451648276336,0.4271297375094236,0.4489925296415599,0.4440579809471592,0.4175711911452265
EOS-2-39999,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)nn4)n23)cc1,QUYKEWOBPLWRBD-UHFFFAOYSA-N,2,1,0.478,56,415,484.911,3.4,6,0.353,0.67,1.0,0.4428928791720924,0.4842968268110479,0.257401823041601,0.27122883969570283,0.363955092180111
EOS-2-40000,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cc(Cl)[nH]n6)cc5)n34)n2)cn1,WTVWOSHSNGLIIP-UHFFFAOYSA-N,2,1,0.423,56,350,484.911,3.604,6,0.38,0.63,1.0,0.3934445891302858,0.5163970940991022,0.41592419984922213,0.3997241450209033,0.43137250702487834
EOS-2-40001,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)n(C)n1,LSAXARJABJFZTI-UHFFFAOYSA-N,2,1,0.365,67,789,484.911,3.828,6,0.339,0.76,1.0,0.42684702899047355,0.5532605715852238,0.27958159139195393,0.3139520937564252,0.39341032143101917
EOS-2-40002,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cc(-c5ccc(Cl)nc5)nn4C)n23)cc1,MWMIVRVFHGWMCP-UHFFFAOYSA-N,2,1,0.38,67,789,484.911,3.828,6,0.339,0.71,1.0,0.4591529024741279,0.5532691385100404,0.33099170721677745,0.3169590843670756,0.41509320814200534
EOS-2-40003,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,WVRGFOJTRYEGSX-UHFFFAOYSA-N,2,1,0.64,67,104,484.911,3.4,6,0.353,0.69,1.0,0.30804948255774106,0.4890000685353985,0.29800047974778976,0.35490199438009734,0.3624880063052567
EOS-2-40004,Cn1cnc(-c2ccnc(Cl)c2)c1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,IROPMOZGWMVONX-UHFFFAOYSA-N,2,1,0.429,56,425,484.911,3.604,6,0.355,0.65,1.0,0.5547426495785073,0.5257607429237201,0.3381707902131451,0.3360376259337948,0.4386779521622918
EOS-2-40005,Cc1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nnc(C)n6C)cc5)n34)cc2Cl)o1,XNEXSMYJJJQIGZ-UHFFFAOYSA-N,2,1,0.325,98,424,484.911,3.969,6,0.365,0.69,1.0,0.1637482009457885,0.2766688369542869,0.11665581522856555,0.14897025563703653,0.1765107771914194
EOS-2-40006,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ncc(-c6nncn6C)cc5Cl)n34)cc2)n[nH]1,GZRLOKSYNLQXPG-UHFFFAOYSA-N,2,1,0.367,67,622,484.911,4.126,6,0.387,0.68,1.0,0.4985093550818998,0.5582122541292578,0.32348708107737645,0.31696765129189225,0.42429408539510655
EOS-2-40007,Cc1ncn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)c(Cl)n2)n1,XROMZZVEJLWETB-UHFFFAOYSA-N,2,1,0.439,40,763,484.911,3.698,6,0.355,0.64,0.999,0.5855493112192447,0.5212631073949695,0.33817935713796177,0.3360461928586115,0.4452594921526968
EOS-2-40008,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5Cl)nn4)n23)cc1,HBLHMNGAYOIVQD-UHFFFAOYSA-N,2,1,0.609,67,104,484.911,3.4,6,0.353,0.69,1.0,0.31356658213967514,0.4493266397094099,0.26119697073538484,0.3293639915016106,0.33836354602152013
EOS-2-40009,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-n5nccn5)n4)n23)cc1Cl,DWOGPAVPDZEAEG-UHFFFAOYSA-N,2,1,0.489,71,247,484.911,3.4,6,0.353,0.59,0.999,0.3956377218833528,0.41828867109862244,0.334744020286478,0.33605475978342814,0.37118129326297034
EOS-2-40010,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nncn6C)cn5)n34)c(Cl)c2)n1C,UQOWGQUXAGOOLO-UHFFFAOYSA-N,2,1,0.333,99,765,484.915,2.801,6,0.37,0.73,1.0,0.17164690562675622,0.2714772805153862,0.05063052566650675,0.08405009937632787,0.14445120279624427
EOS-2-40011,FCc1nc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4F)n23)s1,DZGLDTLAEPMULD-UHFFFAOYSA-N,2,1,0.533,11,0,484.919,5.193,5,0.316,0.65,1.0,0.7574275238160509,0.8161794942087588,0.4528219450346104,0.5822681790144609,0.6521742855184702
EOS-2-40012,Cc1nc(-c2cc(F)c(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)cs1,INDXWRRBGYBNNS-UHFFFAOYSA-N,2,1,0.54,88,669,484.919,5.171,5,0.309,0.66,1.0,0.8729268041943664,0.8913285587005688,0.8132753066959084,0.8094630251524912,0.8467484236858337
EOS-2-40013,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1noc(=O)n1C,VMSUINFQQFPTLV-UHFFFAOYSA-N,2,1,0.505,15,771,484.925,3.49,5,0.345,0.66,1.0,0.5658282502912755,0.5117966554725516,0.17422554999657322,0.17007915838530602,0.3554824035364266
EOS-2-40014,COc1cc(-c2nnc3cncc(OCc4csc(Cl)n4)n23)ccc1-c1c(C)oc(=O)n1C,VVYSKOGAJDBPEE-UHFFFAOYSA-N,2,1,0.464,4,458,484.925,3.756,5,0.358,0.55,1.0,0.45916146939894453,0.4890086354602152,0.19721917620450963,0.13936673291755192,0.3211890034953053
EOS-2-40015,CCn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6F)cc5)n34)cn2)cn1,LAHKACCNTBLYTM-UHFFFAOYSA-N,2,1,0.306,3,150,484.926,5.32,6,0.331,0.74,1.0,0.05884620656569118,0.27667740387910356,0.7990542115002399,0.8259714892742102,0.49013732780481123
EOS-2-40016,Clc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nc2)s1,HWMRWIAOHYGBPR-UHFFFAOYSA-N,2,1,0.393,28,318,484.932,5.213,6,0.328,0.72,1.0,0.5241415941333699,0.5672674936604757,0.4121033513809883,0.4251165101775067,0.4821572373380852
EOS-2-40017,COCCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccc2F)cn1,IKOMJDNBCBTTHL-UHFFFAOYSA-N,2,1,0.463,4,394,484.944,4.734,5,0.316,0.64,1.0,0.40835960523610443,0.5118052223973683,0.6657614282777055,0.6621461860050716,0.5620181104790625
EOS-2-40018,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)nc2)cc1Cl,MRUKTEWXALQWTI-UHFFFAOYSA-N,2,1,0.319,32,20,484.947,6.436,6,0.288,0.81,1.0,0.2896562949763553,0.4712322664656295,0.8914484956480022,0.9212870947844561,0.6434060379686108
EOS-2-40019,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccc(Cl)cc6)cs5)n34)cc2)nc1,AFRVFZWQCUAYGK-UHFFFAOYSA-N,2,1,0.414,69,479,484.947,6.436,6,0.288,0.75,1.0,0.23021040367349735,0.5771708587485436,0.8397899390034953,0.8960746350490028,0.6358114591186348
EOS-2-40020,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)c(Cl)c1,PBFFFLQSFHOXGT-UHFFFAOYSA-N,2,1,0.384,93,107,484.947,6.436,6,0.288,0.73,1.0,0.262816119525735,0.5922829141251457,0.7943938043999725,0.8945925570557193,0.6360213487766431
EOS-2-40021,Fc1ccc(-c2ncc(Cl)cc2-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cc1,GHRSLAYSWWKLCP-UHFFFAOYSA-N,2,1,0.392,69,484,484.947,6.436,6,0.288,0.78,1.0,0.26541189774518537,0.5164056610239188,0.8602734562401481,0.8999554519909533,0.6355116167500514
EOS-2-40022,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)cc1Cl,BIJPCUNRRZDMDD-UHFFFAOYSA-N,2,1,0.38,93,107,484.947,6.436,6,0.288,0.74,1.0,0.28423343156740455,0.5489685422520731,0.8242923720101433,0.9023199232403536,0.6399535672674936
EOS-2-40023,Clc1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)c4)n23)c(OC2CCOCC2)c1,IZEOXAWTNFZSEB-UHFFFAOYSA-N,2,1,0.333,96,697,484.947,5.127,6,0.342,0.58,1.0,0.3030635323144404,0.4182972380234391,0.5221712014255363,0.6882153382221917,0.4829368274964019
EOS-2-40024,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cc2)c1Cl,HEDGHMSYNWAOCB-UHFFFAOYSA-N,2,1,0.333,69,987,484.947,6.436,6,0.288,0.69,1.0,0.3334589815639778,0.5257693098485368,0.9205931738743061,0.9393033376739086,0.6797812007401823
EOS-2-40025,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)s1,HFSGQPSJCGNVDK-UHFFFAOYSA-N,2,1,0.485,77,848,484.972,5.738,6,0.3,0.6,1.0,0.9414964704269755,0.9431841546158591,0.6491415941333699,0.7135134672058118,0.811833921595504
EOS-2-40026,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5csc6ccccc56)c4)n23)cn1,UJVNGVGDAOZTAO-UHFFFAOYSA-N,2,1,0.522,11,891,484.972,5.738,6,0.28,0.79,1.0,0.8641114385580152,0.8723099856075663,0.6901857309300253,0.7401908710849153,0.7916995065451305
EOS-2-40027,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccc(Cl)cc5)n34)nc2)cs1,ZLOZITWEGHODFC-UHFFFAOYSA-N,2,1,0.31,32,179,484.976,5.339,6,0.335,0.71,0.998,0.05530806661640737,0.2558769104242341,0.45956411486532794,0.5167997395654855,0.32188720786786373
EOS-2-40028,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5Cl)n34)s2)n1,QMXPHBYOVTXDLO-UHFFFAOYSA-N,2,1,0.325,76,865,484.976,5.339,6,0.335,0.73,1.0,0.1942978548420259,0.3611815502707148,0.4384209444177918,0.48462236995408126,0.36963067987115344
EOS-2-40029,Cc1c(-c2nnc3cncc(-c4nnc(-c5ccccc5Cl)s4)n23)c(-c2ccccc2)nn1C,OUXIIQINIKLGLI-UHFFFAOYSA-N,2,1,0.346,30,641,484.976,5.339,6,0.335,0.64,0.999,0.03431910081557124,0.22548146117469672,0.14569769035706942,0.30451990953327396,0.17750454047015285
EOS-2-40030,Cc1nc(-c2ccc(Cl)cc2)c(-c2nnc3cncc(-c4ccc(-c5ccn(C)n5)cn4)n23)s1,KLGBFZZDTSVTBL-UHFFFAOYSA-N,2,1,0.337,32,572,484.976,5.339,6,0.335,0.69,1.0,0.07592865465012678,0.307484065519841,0.3455897471043794,0.43151600301555754,0.2901296175724762
EOS-2-40031,COc1cc(-c2nnc3cncc(OCCc4sc(C)nc4Cl)n23)ccc1-c1cncs1,VYZYMZMULBNWGR-UHFFFAOYSA-N,2,1,0.517,15,103,484.994,4.963,5,0.322,0.65,1.0,0.6397094099102186,0.745048317455966,0.23599307792474813,0.2268693029949969,0.4619050270714824
EOS-2-40032,Cn1nccc1CCc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,OGOUFNDAYOGADX-UHFFFAOYSA-N,2,1,0.402,14,886,414.9,4.63,5,0.42,0.77,1.0,0.23858885614419847,0.3708022068398328,0.6044993489137139,0.7108491535878281,0.4811848913713933
EOS-2-40033,N#Cc1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)cs4)n23)cc1,JNZBCVBVQBKNPY-UHFFFAOYSA-N,2,1,0.486,62,3,414.881,5.107,5,0.41,0.77,1.0,0.2329689534644644,0.6014238229045302,0.8204115550681927,0.8904461654444521,0.6363126242204099
EOS-2-40034,Cc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1,KLFCGEUNWJLKLN-UHFFFAOYSA-N,2,1,0.463,83,472,414.871,6.226,5,0.351,0.85,1.0,0.54982523473374,0.7310413953807141,0.9750702487834967,0.9835857720512645,0.8098806627373037
EOS-2-40035,Cc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(=N)[nH]c5)nc4)n23)ccc1Cl,NTSMQGJEXGKEQI-UHFFFAOYSA-N,2,1,0.31,96,478,414.86,3.685,5,0.468,0.76,1.0,0.16375676787060517,0.3272308272222603,0.6822698923994243,0.6708073469947228,0.4610162086217531
EOS-2-40036,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cn4)n23)cc1,FZHCDTWJGORADF-UHFFFAOYSA-N,2,1,0.662,1,850,414.856,4.481,5,0.422,0.83,1.0,0.77493831814132,0.937589952710575,0.7241792886025632,0.7555599342060174,0.7980668734151188
EOS-2-40037,COc1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cn1,OEUSYVUSJCZMJK-UHFFFAOYSA-N,2,1,0.377,9,558,414.856,4.577,5,0.4,0.89,1.0,0.46132033445274484,0.5439997258584058,0.8114077170858749,0.7781680487972038,0.6487239565485574
EOS-2-40038,Cn1cccc(-c2cccc(-c3cncc4nnc(-c5cncc(Cl)c5)n34)c2)c1=O,IMBFPMPKEUAVME-UHFFFAOYSA-N,2,1,0.297,96,558,414.856,3.872,5,0.447,0.7,1.0,0.2654204646700021,0.24588787608799945,0.687487149612775,0.7582756493729012,0.4892677849359194
EOS-2-40039,Clc1ccc(COc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)nc1,JFHRDBYBOXAXGI-UHFFFAOYSA-N,2,1,0.593,1,700,414.856,4.481,5,0.422,0.76,0.97,0.5573983962716743,0.6735487629360565,0.6074806387499143,0.6736258652594065,0.628013415804263
EOS-2-40040,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)cc1,QDZJJFPWFVNILK-UHFFFAOYSA-N,2,1,0.617,43,433,414.856,4.481,5,0.422,0.81,1.0,0.7749468850661366,0.8515951614008636,0.7944023713247893,0.8239839627167432,0.8112320951271332
EOS-2-40041,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5)n34)c2)nn1,GVQCMOAKNPMOFV-UHFFFAOYSA-N,2,1,0.61,1,613,414.856,4.481,5,0.422,0.84,1.0,0.7518333219107669,0.8121701733945583,0.7136419710780618,0.7480039065177164,0.7564123432252758
EOS-2-40042,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4)n23)cc1,ZUXSYPRFHSXEET-UHFFFAOYSA-N,2,1,0.725,1,326,414.856,4.481,5,0.422,0.84,1.0,0.9644815297100953,0.9687478582687958,0.7632787334658351,0.7806010554451374,0.8692772942224658
EOS-2-40043,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccncc5)n34)c2)cn1,GWELJMVOTBCTIO-UHFFFAOYSA-N,2,1,0.531,97,91,414.856,4.481,5,0.394,0.79,1.0,0.6729833458981564,0.7171629771777123,0.8223990816256597,0.8239925296415599,0.7591344835857722
EOS-2-40044,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,WRWRPKBIXAZUMZ-UHFFFAOYSA-N,2,1,0.641,1,850,414.856,4.481,5,0.422,0.82,1.0,0.739762524844082,0.7879257761633884,0.7190134329381125,0.7428808854773491,0.747395654855733
EOS-2-40045,COc1nc(Cl)cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,SYCYBFBMHOZYKS-UHFFFAOYSA-N,2,1,0.394,93,366,414.856,4.577,5,0.4,0.79,1.0,0.46385614419847854,0.47124083339044615,0.5915975601398122,0.6331471455006511,0.539960420807347
EOS-2-40046,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)cn1,PZOQSSHURBBJOL-UHFFFAOYSA-N,2,1,0.512,1,992,414.856,4.481,5,0.394,0.82,1.0,0.7518418888355836,0.6833321910766911,0.751961825783017,0.7607771914193681,0.7369782742786649
EOS-2-40047,Clc1cccc(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)c1,QGEWFLKFEDGFRW-UHFFFAOYSA-N,2,1,0.593,43,433,414.856,4.481,5,0.422,0.81,1.0,0.7248389418134467,0.8516037283256802,0.7841306284696046,0.8179785484202591,0.7946379617572477
EOS-2-40048,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cc1,XVDJJYDIJIHSDV-UHFFFAOYSA-N,2,1,0.667,1,326,414.856,4.481,5,0.422,0.74,1.0,0.9183229387978891,0.9580220683983277,0.847662942910013,0.8660475635665822,0.897513878418203
EOS-2-40049,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1,XNDCVAQKBBMUNY-UHFFFAOYSA-N,2,1,0.587,97,91,414.856,4.481,5,0.422,0.76,1.0,0.8788465492426838,0.8516122952504969,0.8224076485504763,0.8339644301281612,0.8467077307929547
EOS-2-40050,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)nn1,FJHFKWCZOSQNJT-UHFFFAOYSA-N,2,1,0.597,83,15,414.856,5.002,5,0.411,0.84,1.0,0.7518504557604002,0.9097046124323213,0.7563309574395175,0.7781766157220205,0.799015660338565
EOS-2-40051,Clc1ccccc1COc1cncc2nnc(-c3cccc(-c4cccnn4)c3)n12,QLQSDRAZQUNSAM-UHFFFAOYSA-N,2,1,0.524,43,433,414.856,4.481,5,0.422,0.77,1.0,0.7488691659241998,0.8638629977383319,0.7841391953944212,0.822005003084093,0.8047190905352615
EOS-2-40052,Clc1ccccc1COc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,VTPUVMFRDZZHQA-UHFFFAOYSA-N,2,1,0.562,43,433,414.856,4.481,5,0.422,0.84,1.0,0.9197793160167227,0.9231375505448565,0.7990627784250566,0.8279161812075937,0.8674739565485574
EOS-2-40053,Clc1ccccc1COc1cncc2nnc(-c3cncc(-c4cccnc4)c3)n12,MIASWAMUNFQCMY-UHFFFAOYSA-N,2,1,0.519,97,884,414.856,4.481,5,0.422,0.79,1.0,0.6882410389966418,0.7793245836474539,0.8169505174422589,0.8474230690151463,0.7829848022753754
EOS-2-40054,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)cn1,WAQSIWGYZQSZGP-UHFFFAOYSA-N,2,1,0.53,97,992,414.856,4.481,5,0.394,0.72,1.0,0.715415324515112,0.6833407580015077,0.8030549653896237,0.8116818586800082,0.7533732266465629
EOS-2-40055,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cc4)n23)cc1,XPBXNQYKHPYWNO-UHFFFAOYSA-N,2,1,0.704,1,326,414.856,4.481,5,0.422,0.82,1.0,0.9488640257693098,0.962528270851895,0.8572407648550476,0.8693886642450825,0.9095054314303337
EOS-2-40056,Clc1ccc(-c2nnc3cncc(OCc4cccnc4-c4cccnc4)n23)cc1,NKFAGSMSTVEACS-UHFFFAOYSA-N,2,1,0.645,97,232,414.856,4.481,5,0.422,0.79,1.0,0.9312932629703242,0.957139675142211,0.7292680419436639,0.7684788568295524,0.8465449592214378
EOS-2-40057,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccnc5)n34)c2)cc1,RDRMLQLWLRDGSO-UHFFFAOYSA-N,2,1,0.562,97,137,414.856,4.481,5,0.422,0.82,1.0,0.7186536220958125,0.7667911726406689,0.8132838736207251,0.8400726475224454,0.784700328969913
EOS-2-40058,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,GNOOLBGYHDCOCV-UHFFFAOYSA-N,2,1,0.549,1,992,414.856,4.481,5,0.394,0.83,1.0,0.8970940991021863,0.7957902131450895,0.7680505105887191,0.7684874237543692,0.807355561647591
EOS-2-40059,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,WVWPRFATPZAYET-UHFFFAOYSA-N,2,1,0.636,43,433,414.856,4.481,5,0.422,0.82,1.0,0.9237543691316565,0.9157871290521554,0.7966640394763895,0.8240010965663765,0.8650516585566446
EOS-2-40060,Clc1cncc(COc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)c1,ROOHXRSYUQZZJZ-UHFFFAOYSA-N,2,1,0.477,97,700,414.856,4.481,5,0.422,0.8,1.0,0.7636299773833185,0.6883267082448085,0.6577170858748543,0.7187735590432458,0.7071118326365569
EOS-2-40061,Clc1ccccc1-c1nnc2cncc(OCc3cccc(-c4cccnn4)c3)n12,DOVPSIWZYKXUHW-UHFFFAOYSA-N,2,1,0.536,43,433,414.856,4.481,5,0.422,0.78,1.0,0.6607669111095881,0.8276591734630937,0.7609999314646014,0.8051538619697074,0.7636449695017477
EOS-2-40062,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)cc1,UXBHPCZNDDLRFT-UHFFFAOYSA-N,2,1,0.577,1,700,414.856,4.481,5,0.422,0.77,1.0,0.8437221574943459,0.9531817558769105,0.6741227468987732,0.7376122267150983,0.8021597217462819
EOS-2-40063,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)cn4)n23)cc1,BSNWPJZDBZKTRL-UHFFFAOYSA-N,2,1,0.64,97,744,414.856,4.481,5,0.422,0.8,1.0,0.7488777328490165,0.9375985196353916,0.794410938249606,0.8140291960797752,0.8237290967034473
EOS-2-40064,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,MUQQKQWCQDUXOK-UHFFFAOYSA-N,2,1,0.494,1,700,414.856,4.481,5,0.394,0.83,1.0,0.5855578781440615,0.7171715441025289,0.6519943800973202,0.6995236789801933,0.663561870331026
EOS-2-40065,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)cc4)n23)cc1,IJECBJGAGMJUQQ-UHFFFAOYSA-N,2,1,0.725,1,326,414.856,4.481,5,0.422,0.83,1.0,0.9526420396134604,0.9708810225481461,0.8185096977588925,0.8319426358714276,0.8934938489479817
EOS-2-40066,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccccc5)c4)n23)cc1,LEVRLRJLZHKDSO-UHFFFAOYSA-N,2,1,0.623,43,709,414.856,4.481,5,0.422,0.64,1.0,0.9588273593310945,0.9649184428757454,0.7395055170995819,0.7965526694537729,0.8649509971900488
EOS-2-40067,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)cc1,DXUKEFCZUWBBMY-UHFFFAOYSA-N,2,1,0.649,43,433,414.856,4.481,5,0.422,0.83,1.0,0.9377784250565417,0.9679082996367624,0.7966726064012062,0.8259800561990268,0.8820848468233843
EOS-2-40068,Clc1cccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)c1,IDOCWNABZJTPNK-UHFFFAOYSA-N,2,1,0.56,97,91,414.856,4.481,5,0.422,0.84,1.0,0.7154238914399287,0.7667997395654855,0.7658059762867521,0.7849102186279213,0.7582349564800219
EOS-2-40069,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccccn5)n34)c2)cc1,LNISMIIICKNKSN-UHFFFAOYSA-N,2,1,0.662,97,137,414.856,4.481,5,0.422,0.79,1.0,0.5445394421218559,0.7357446371050648,0.7584469878692345,0.7987372352820231,0.7093670755945446
EOS-2-40070,COc1ccc(-c2cncc(-c3nnc4cncc(-c5ccc(Cl)cc5)n34)c2)cn1,QFUJETGNVKQQTC-UHFFFAOYSA-N,2,1,0.366,96,680,414.856,4.577,5,0.428,0.85,1.0,0.4197878829415393,0.6161675005140155,0.8069100815571243,0.8008703995613734,0.6609339661435132
EOS-2-40071,COc1cccc(-c2nnc3cncc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)c1,CQSFJRJPAFAQBN-UHFFFAOYSA-N,2,1,0.39,96,680,414.856,4.577,5,0.4,0.84,1.0,0.3568209855390309,0.422760605852923,0.8030635323144404,0.7806096223699541,0.5908136865190872
EOS-2-40072,Clc1ccc(COc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)cn1,CVOWNGOVPFFQRO-UHFFFAOYSA-N,2,1,0.506,1,992,414.856,4.481,5,0.394,0.77,1.0,0.7428723185525323,0.6735573298608731,0.663139949283805,0.7048608731409773,0.696107617709547
EOS-2-40073,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(O)c(Cl)c5)cn4)n23)cn1,QROMFRSBCKNPLR-UHFFFAOYSA-N,2,1,0.38,96,680,414.856,4.583,5,0.464,0.82,1.0,0.3799688163936673,0.4404427386745254,0.7966811733260228,0.8072184908505243,0.606077804811185
EOS-2-40074,Clc1cccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2)c1,KOCBVPFYRPLMAO-UHFFFAOYSA-N,2,1,0.577,1,22,414.856,4.481,5,0.422,0.79,1.0,0.7666027002947022,0.8665101775066822,0.7658145432115687,0.8094715920773079,0.8020997532725653
EOS-2-40075,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnccn5)c4)n23)cc1,SMSUXQJXKZJCRC-UHFFFAOYSA-N,2,1,0.676,97,232,414.856,4.481,5,0.422,0.82,1.0,0.9479302309642931,0.9665375916660955,0.8050167911726407,0.8259886231238435,0.8863683092317182
EOS-2-40076,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)nc1,MWJVTUANXOCNGE-UHFFFAOYSA-N,2,1,0.645,40,22,414.856,4.481,5,0.422,0.8,1.0,0.7546604071002673,0.812178740319375,0.7726595161400863,0.7943509697758893,0.7834624083339043
EOS-2-40077,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)cc1,SDSGBNZGWRUCNA-UHFFFAOYSA-N,2,1,0.645,97,232,414.856,4.481,5,0.422,0.86,1.0,0.944631964909876,0.9467822630388596,0.7841477623192379,0.7987458022068399,0.8685769481187033
EOS-2-40078,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cn4)n23)cc1,FOEVJPFKLBZUJZ-UHFFFAOYSA-N,2,1,0.694,97,850,414.856,4.481,5,0.422,0.82,1.0,0.8059077513535742,0.9419248166678089,0.7818775272428209,0.805162428894524,0.8337181310396821
EOS-2-40079,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccccc5)n4)n23)cc1,DXVUCEHXKOFEPL-UHFFFAOYSA-N,2,1,0.584,1,709,414.856,4.481,5,0.422,0.85,1.0,0.9001953258858201,0.9633506956342951,0.6045079158385306,0.6882239051470084,0.7890694606264135
EOS-2-40080,Clc1ccccc1-c1nnc2cncc(OCc3cccc(-c4cncnc4)c3)n12,VVCYCZFHZJKCHB-UHFFFAOYSA-N,2,1,0.549,1,988,414.856,4.481,5,0.422,0.79,1.0,0.645372147214036,0.8161880611335754,0.8204201219930094,0.847431635939963,0.7823529915701459
EOS-2-40081,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncn5)cc4)n23)cc1,RODBJGBZDHMXMU-UHFFFAOYSA-N,2,1,0.685,1,326,414.856,4.481,5,0.422,0.85,1.0,0.9692361729833459,0.9694246453293126,0.8315742581043108,0.840081214447262,0.9025790727160579
EOS-2-40082,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)nc4)n23)cc1,CRCSUUFUEAHXCZ-UHFFFAOYSA-N,2,1,0.662,1,805,414.856,4.481,5,0.422,0.86,1.0,0.952650606538277,0.955280652456994,0.7241878555273799,0.7504711808649167,0.8456475738468918
EOS-2-40083,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccn5)n34)cc2)cc1,IPHUUYNEPUDAIC-UHFFFAOYSA-N,2,1,0.603,1,326,414.856,4.481,5,0.422,0.86,1.0,0.8788551161675006,0.92503084092934,0.7083990130902611,0.7633729696388184,0.81891448495648
EOS-2-40084,COc1nc(Cl)cc(-c2ccc(-c3cncc4nnc(-c5ccccc5)n34)cc2)n1,PEWQYFRXLWVTED-UHFFFAOYSA-N,2,1,0.435,9,558,414.856,4.577,5,0.4,0.83,1.0,0.4474761839490097,0.4363991501610582,0.6045164827633472,0.6095881022548146,0.5244949797820575
EOS-2-40085,Clc1ccc(-c2cccc(COc3cncc4nnc(-c5ccccc5)n34)c2)nn1,GPZIKNBBOHRXQP-UHFFFAOYSA-N,2,1,0.582,77,613,414.856,4.481,5,0.422,0.84,1.0,0.8413062846960455,0.8239325611678432,0.7110718936330614,0.7428894524021658,0.779800047974779
EOS-2-40086,N#CCc1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)no4)n23)cc1,UINDCBVIGIYXQA-UHFFFAOYSA-N,2,1,0.387,74,837,414.816,3.623,5,0.409,0.76,1.0,0.26542903159481873,0.43183297923377423,0.522179768350353,0.6003615242272634,0.45495082585155233
EOS-2-40087,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(C#N)c(Cl)c5)n34)cn2)n1,NPNDHFGTNGRJIV-UHFFFAOYSA-N,2,1,0.375,74,155,414.816,3.737,5,0.438,0.72,1.0,0.3614728257144815,0.45810773764649443,0.5659224864642588,0.6095966691796313,0.4987749297512165
EOS-2-40088,N#Cc1ccc(Oc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)c(Cl)c1,DANJTOYWERFBRP-UHFFFAOYSA-N,2,1,0.482,1,15,414.812,4.764,5,0.417,0.8,1.0,0.8391559865670619,0.857694811870331,0.8844835857720512,0.8765506133918168,0.8644712494003153
EOS-2-40089,Fc1cc(-c2nnc3cncc(OCc4sc(F)c(F)c4F)n23)ccc1Cl,CSDOWVGUTMLLDI-UHFFFAOYSA-N,2,1,0.608,23,255,414.771,4.642,4,0.456,0.69,1.0,0.9627081762730451,0.967916866561579,0.9812384346514975,0.9854704955109314,0.9743334932492632
EOS-2-40090,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(Br)cc4F)n23)nc1F,NHXWSJMJLVQSLR-UHFFFAOYSA-N,2,1,0.407,13,251,485.252,3.815,5,0.357,0.72,1.0,0.4762267836337468,0.5969604550750462,0.5623929134397917,0.6003700911520801,0.5589875608251662
EOS-2-40091,Fc1ccc(-c2c(-c3nnc4cncc(Cl)n34)cnn2CC(F)(F)F)cc1F,ZCCDWHLIDPIOHR-UHFFFAOYSA-N,2,1,0.486,68,861,414.725,4.149,4,0.473,0.7,1.0,0.292500514015489,0.3611901171955315,0.9818809540127476,0.985196353916798,0.6551919847851415
EOS-2-40092,Oc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4F)n23)ccc1-c1ccccc1Cl,CYFCNEAYGXHRAT-UHFFFAOYSA-N,2,1,0.477,57,236,485.277,6.541,5,0.293,0.72,1.0,0.9594184771434446,0.9552892193818107,0.9895055170995819,0.9945942704406826,0.97470187101638
EOS-2-40093,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)cc1F,PWXPTSWQYCOZOF-UHFFFAOYSA-N,2,1,0.535,34,929,485.281,5.412,5,0.331,0.72,1.0,0.8572236310054143,0.9679254334863957,0.9509200877253101,0.9708810225481461,0.9367375436913166
EOS-2-40094,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)ccc1Cl,BQNQPAZJSFKJKA-UHFFFAOYSA-N,2,1,0.461,59,153,485.281,5.412,5,0.31,0.74,1.0,0.8437307244191625,0.8082636556781577,0.9642759235144952,0.9737166746624631,0.8974967445685696
EOS-2-40095,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cncc(Cl)c5)cn4)n23)c(F)cc1Cl,ZZCDZVOHNBUWAR-UHFFFAOYSA-N,2,1,0.561,59,469,485.281,5.412,5,0.31,0.65,1.0,0.8391645534918786,0.9520166541018436,0.9642844904393119,0.9737252415872798,0.9322977349050785
EOS-2-40096,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)n5)cc4F)n23)c(Cl)c1,HWTOUZZUMOIPLK-UHFFFAOYSA-N,2,1,0.523,59,146,485.281,5.412,5,0.31,0.7,1.0,0.9573881159618943,0.964927009800562,0.9603180042491947,0.9704612432321293,0.9632735933109451
EOS-2-40097,Fc1cc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(Cl)c1F,UFFBRVYDBTWZOV-UHFFFAOYSA-N,2,1,0.575,34,929,485.281,5.412,5,0.31,0.65,1.0,0.9479387978891097,0.9778802001233637,0.9410338564868754,0.9607806181892947,0.956908368172161
EOS-2-40098,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ccc5Cl)n34)cn2)cc1F,YTKPHQIMQRLZEB-UHFFFAOYSA-N,2,1,0.461,59,13,485.281,5.412,5,0.31,0.77,1.0,0.8340929340004112,0.940399904050442,0.9443406894661093,0.962682475498595,0.9203790007538895
EOS-2-40099,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cn2)ccc1Cl,UNJKVUFZQGMYKK-UHFFFAOYSA-N,2,1,0.472,59,526,485.281,5.412,5,0.331,0.77,1.0,0.8506956342951134,0.9194280720992393,0.9479302309642931,0.9649184428757454,0.9207430950585977
EOS-2-40100,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1-c1cnnc(Cl)c1,LDXRRWJDHCMRCV-UHFFFAOYSA-N,2,1,0.554,34,146,485.281,5.412,5,0.331,0.7,1.0,0.9505174422589268,0.9778887670481804,0.970109999314646,0.9806815845384141,0.9697994482900418
EOS-2-40101,Fc1cc(-c2ccncn2)cc(-c2nnc3cncc(OCc4c(Cl)ccc(F)c4Cl)n23)c1,COXURTQMCFPTHK-UHFFFAOYSA-N,2,1,0.5,59,607,485.281,5.412,5,0.31,0.67,1.0,0.92503084092934,0.9136710986224384,0.9703841409087793,0.9786512233568638,0.9469343259543554
EOS-2-40102,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(Cl)ccc5Cl)n4)n23)cc1F,MYEPKAGQVVAEOM-UHFFFAOYSA-N,2,1,0.524,34,929,485.281,5.412,5,0.331,0.69,1.0,0.8862997738331848,0.9589472962785278,0.9542697553286272,0.9725173051881296,0.9430085326571174
EOS-2-40103,Fc1ccc(COc2nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cnc2Cl)cc1F,YRYCLMTYOJDATE-UHFFFAOYSA-N,2,1,0.588,45,102,485.281,5.412,5,0.331,0.79,1.0,0.9262473442533068,0.9679340004112124,0.9375813857857583,0.9571825097662943,0.947236310054143
EOS-2-40104,Fc1ccc(-c2cc(F)c(Cl)cc2COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1,PJZZFMLVVMICQD-UHFFFAOYSA-N,2,1,0.512,59,89,485.281,5.412,5,0.31,0.68,1.0,0.9463282160235762,0.9700928654650127,0.9634106641080118,0.9725258721129464,0.9630894044273868
EOS-2-40105,Fc1ccc(F)c(-c2ccnnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1Cl,XMCGQUTWYFIRQI-UHFFFAOYSA-N,2,1,0.582,34,929,485.281,5.412,5,0.31,0.61,1.0,0.9262559111781234,0.977897333972997,0.9509286546501268,0.9716434788568296,0.9566813446645192
EOS-2-40106,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)ccc2F)cn1,BXWZZNDJTXOXPX-UHFFFAOYSA-N,2,1,0.523,34,146,485.281,5.412,5,0.31,0.74,1.0,0.8391731204166952,0.9615687752724282,0.9382667397710918,0.9583476115413612,0.9243390617503942
EOS-2-40107,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(Cl)c5)nc4)n23)ccc1Cl,UPSSWQWNLBFCNO-UHFFFAOYSA-N,2,1,0.633,59,294,485.281,5.412,5,0.31,0.73,0.999,0.947082105407443,0.9571482420670276,0.9680796381330957,0.9746247686930299,0.9617336885751491
EOS-2-40108,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(Cl)c5)nc4)n23)cc1Cl,FWTMMJIZFDVAOY-UHFFFAOYSA-N,2,1,0.633,59,294,485.281,5.412,5,0.31,0.75,0.999,0.9453944212185594,0.9561887464875608,0.9680882050579124,0.9746333356178466,0.9610761770954698
EOS-2-40109,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(F)c(-c4cccc(Cl)c4)n3)n12,OIURCVRKDKOAPS-UHFFFAOYSA-N,2,1,0.535,34,146,485.281,5.412,5,0.331,0.71,1.0,0.9156500582550887,0.9732540607223631,0.9008549790967034,0.9457627989856761,0.9338804742649578
EOS-2-40110,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cn2)cc1Cl,UWAGRDLPQLPFKA-UHFFFAOYSA-N,2,1,0.494,59,469,485.281,5.412,5,0.331,0.79,1.0,0.8032691385100404,0.9136796655472551,0.9618771845658283,0.972534439037763,0.9128401069152217
EOS-2-40111,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cc5Cl)n34)cn2)cn1,CLGGINFLCCOMFH-UHFFFAOYSA-N,2,1,0.506,59,445,485.281,5.412,5,0.245,0.75,1.0,0.8988160509903365,0.9456000274141594,0.969416078404496,0.9749503118360633,0.9471956171612638
EOS-2-40112,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2Cl)nc1F,XGQCULBYPCXXHN-UHFFFAOYSA-N,2,1,0.536,59,89,485.281,5.412,5,0.31,0.73,1.0,0.9627167431978617,0.9542012199300939,0.9603265711740113,0.967942567336029,0.961296775409499
EOS-2-40113,Fc1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)ncc1Cl,DKYQUHGMQUKPMV-UHFFFAOYSA-N,2,1,0.554,34,929,485.281,5.412,5,0.331,0.71,1.0,0.9435353985333425,0.9708895894729628,0.9326554040161743,0.9559060379686107,0.9507466074977725
EOS-2-40114,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1ccc(Cl)cc1,KHYDLLGLAZZQMT-UHFFFAOYSA-N,2,1,0.531,34,210,485.281,5.412,5,0.31,0.69,1.0,0.9594270440682613,0.9649355767253787,0.9311390583236242,0.9583561784661778,0.9534644643958605
EOS-2-40115,Fc1cc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccc2F)ccn1,ZXICSMYPUCXNHF-UHFFFAOYSA-N,2,1,0.53,59,980,485.281,5.412,5,0.31,0.64,1.0,0.9446405318346927,0.9542097868549105,0.9685165512987458,0.9789596326502639,0.9615816256596532
EOS-2-40116,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncccc5Cl)n4)n23)ccc1Cl,AMEPSDHQXMGEPI-UHFFFAOYSA-N,2,1,0.573,34,13,485.281,5.412,5,0.331,0.68,1.0,0.9156586251799054,0.9694332122541293,0.9186484819409225,0.9480073332876431,0.9379369131656501
EOS-2-40117,Fc1cc(Cl)cnc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,DSYFKIVMMGKFQA-UHFFFAOYSA-N,2,1,0.554,34,929,485.281,5.412,5,0.331,0.75,1.0,0.9435439654581591,0.9758669727914467,0.9063977794530875,0.9417363443218423,0.9418862655061339
EOS-2-40118,Cc1nc(-c2ccc(F)c(Cl)c2)cc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)n1,QHBDSDNCECLQOR-UHFFFAOYSA-N,2,1,0.524,13,573,485.281,5.934,5,0.314,0.77,1.0,0.8269995202522102,0.8082722226029745,0.9473219793023097,0.9653810568158454,0.886993694743335
EOS-2-40119,COc1nc(-c2nnc3cncc(OCc4nccc(Cl)c4Cl)n23)ccc1-c1noc(C)n1,UBCZGVMZTHKWEZ-UHFFFAOYSA-N,2,1,0.388,46,896,485.291,3.834,5,0.35,0.57,0.81,0.4709495579466795,0.48430539373586456,0.20429545610307723,0.23564183400726474,0.34879806044822154
EOS-2-40120,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)ccc1-c1nc(Cl)cn1O,MQWDRNTUHLCQRR-UHFFFAOYSA-N,2,1,0.454,4,248,485.291,3.577,5,0.284,0.65,1.0,0.5713539167980262,0.5718764992118429,0.49091905969433214,0.4408882187649921,0.5187594236172983
EOS-2-40121,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)c(Cl)c4)n23)ccc1-c1nnco1,MQERQYWIPKNATE-UHFFFAOYSA-N,2,1,0.43,49,773,485.291,3.568,5,0.316,0.59,0.976,0.657417243506271,0.4627510108971284,0.3051709958193407,0.319940374203276,0.436319906106504
EOS-2-40122,Fc1cc(-c2nnc3cncc(OCc4nc(C(F)(F)F)no4)n23)ccc1Cl,DMRMCZCDWWOMPE-UHFFFAOYSA-N,2,1,0.57,68,255,414.706,3.565,4,0.471,0.75,1.0,0.8900520869028853,0.9136882324720719,0.9129514769378384,0.8709221437872661,0.8969034850250153
EOS-2-40123,Fc1ccc(Br)cc1-c1nnc2cncc(OCc3nnc(-c4cccnn4)s3)n12,KSDFGXFSCPZZQI-UHFFFAOYSA-N,2,1,0.5,34,820,485.302,3.58,5,0.372,0.7,1.0,0.5498338016585567,0.6687684188883558,0.1869817010485916,0.29488211911452267,0.42511651017750673
EOS-2-40124,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)ncn2)c1,FJLUBSVGMZGKKF-UHFFFAOYSA-N,2,1,0.438,44,238,485.305,3.856,5,0.369,0.71,0.995,0.5523953121787403,0.5771794256733603,0.6307741073264341,0.6215560962236996,0.5954762353505586
EOS-2-40125,OCc1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c(F)c2)c1,VUAAGPNDFGGAHU-UHFFFAOYSA-N,2,1,0.505,34,146,485.306,4.494,5,0.381,0.7,1.0,0.5998817764375299,0.7668083064903023,0.9356109930779247,0.9442036186690426,0.8116261736686999
EOS-2-40126,Cn1c(Cl)ccc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)c(O)c4)n23)ccc1F,YQVKGOPGBSVPCH-UHFFFAOYSA-N,2,1,0.478,34,268,485.306,4.922,5,0.38,0.54,0.9,0.7891508464121719,0.8885014735110685,0.8822133506956343,0.8960832019738195,0.8639872181481736
EOS-2-40127,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)c(F)c2)o1,BTIUYWZGDMZFIV-UHFFFAOYSA-N,2,1,0.692,88,781,485.306,5.217,5,0.326,0.74,1.0,0.9620656569117949,0.9467908299636763,0.8332533753683777,0.8579089849907477,0.9000047118086492
EOS-2-40128,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2Cl)n1,AGZMAGLSYKLKFN-UHFFFAOYSA-N,2,1,0.727,88,781,485.306,5.217,5,0.326,0.72,1.0,0.9656894661092454,0.9213213624837229,0.8299037077650606,0.8579175519155644,0.8937080220683984
EOS-2-40129,COc1cc(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)c(F)c5)c4)n23)ccc1Cl,XRGYSMSCVNAYIB-UHFFFAOYSA-N,2,1,0.529,59,67,485.306,5.011,5,0.337,0.77,1.0,0.6057929545610308,0.7879343430882051,0.9334521280241245,0.9275238160509903,0.8136758104310876
EOS-2-40130,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)cc2Cl)n1,QNYHXUXMPLDRMP-UHFFFAOYSA-N,2,1,0.539,37,125,485.31,4.049,5,0.335,0.71,1.0,0.8391816873415119,0.834821122609828,0.6794856418340073,0.7428980193269824,0.7740966177780825
EOS-2-40131,Cn1nc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cc1-c1ccc(Cl)cc1,UYDAZWMVELDLOS-UHFFFAOYSA-N,2,1,0.462,95,835,485.31,4.049,5,0.335,0.66,1.0,0.5445480090466726,0.5489771091768899,0.4345658282502913,0.5822767459392776,0.5275919231032828
EOS-2-40132,Cn1c(Cl)cnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc(F)n1,VZABKVOZJRCRSF-UHFFFAOYSA-N,2,1,0.512,58,578,485.31,4.049,5,0.335,0.6,1.0,0.7666112672195189,0.7404221780549654,0.5560962236995408,0.6331557124254678,0.6740713453498732
EOS-2-40133,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)ccc1F,DAKCFDPWPUTTAU-UHFFFAOYSA-N,2,1,0.59,37,125,485.31,4.049,5,0.335,0.65,1.0,0.7666198341443355,0.7957987800699061,0.7110804605578781,0.7684959906791858,0.7604987663628264
EOS-2-40134,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5Cl)n34)cn2)[nH]c1F,JHEIPRWIXKUWAS-UHFFFAOYSA-N,2,1,0.495,58,698,485.31,4.347,5,0.357,0.56,0.996,0.6882496059214585,0.8121873072441916,0.6132633130011651,0.6589678568980879,0.6931670207662257
EOS-2-40135,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nc(Cl)ccc4Cl)n23)nc1F,IDWXDUJRIGTRCP-UHFFFAOYSA-N,2,1,0.392,31,814,485.31,4.049,5,0.335,0.62,0.85,0.6882581728462751,0.6637996024946885,0.5492940853951066,0.6272359673771503,0.6321469570283051
EOS-2-40136,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(Cl)c2F)n(C)n1,KXZMYKNHPYUUAS-UHFFFAOYSA-N,2,1,0.482,16,772,485.31,4.315,5,0.366,0.73,1.0,0.5971831951202796,0.6589421561236378,0.5883078610102118,0.6589764238229046,0.6258524090192585
EOS-2-40137,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cnc1Cl,KVPQEFGLLDTCED-UHFFFAOYSA-N,2,1,0.511,84,749,485.31,4.049,5,0.335,0.65,1.0,0.6224641902542664,0.7579929408539511,0.6822784593242409,0.7709718319512028,0.7084268555959153
EOS-2-40138,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cnc(Cl)c(F)c1,UGNRVHLKTHLFOH-UHFFFAOYSA-N,2,1,0.457,95,493,485.31,4.049,5,0.335,0.63,0.99,0.4934463025152491,0.4757556027688301,0.6491501610581866,0.7078335960523611,0.5815464155986567
EOS-2-40139,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)nc(Cl)c5)n34)nc2F)n1,UQFBXAFFRGWYKS-UHFFFAOYSA-N,2,1,0.461,58,442,485.31,4.049,5,0.335,0.61,1.0,0.7001833321910766,0.577187992598177,0.607489205674731,0.6448666986498527,0.6324318072784594
EOS-2-40140,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)c(Cl)cn4)n23)cc1-c1cncc(F)c1,MUPPFBJPKDNXCP-UHFFFAOYSA-N,2,1,0.418,95,235,485.31,4.049,5,0.358,0.69,0.996,0.4934548694400658,0.4271383044342403,0.6045250496881639,0.6967308614899596,0.5554622712631073
EOS-2-40141,FCCn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ccc5Cl)n34)cn2)cn1,AQJDPARAGHODNV-UHFFFAOYSA-N,2,1,0.394,55,468,485.31,4.3,5,0.317,0.74,1.0,0.5010023302035501,0.5771965595229936,0.5046004386265506,0.585283736549928,0.5420207662257556
EOS-2-40142,CCc1c(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(-c2ccc(F)c(Cl)c2)nn1C,CVJMZKQVVVRULT-UHFFFAOYSA-N,2,1,0.396,45,102,485.325,6.006,5,0.313,0.65,1.0,0.29250908094030564,0.534764580906038,0.8716846000959496,0.9358251661983414,0.6586958570351586
EOS-2-40143,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4nc(C)oc4Cl)n23)cc1Cl,HAHDLZKOYIWZBU-UHFFFAOYSA-N,2,1,0.489,37,908,485.335,4.294,5,0.336,0.72,1.0,0.49104756356658213,0.5440082927832225,0.15805119594270442,0.24720718250976628,0.3600785587005689
EOS-2-40144,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(Cl)c5)n34)n2)cc1,URAIGORXQUITNS-UHFFFAOYSA-N,2,1,0.358,3,158,485.338,5.408,6,0.332,0.74,1.0,0.06258138578575835,0.327239394147077,0.6712528270851895,0.8528802001233637,0.47848845178534716
EOS-2-40145,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1Cl,GXOPXFOUHGSBBC-UHFFFAOYSA-N,2,1,0.302,3,289,485.338,5.408,6,0.332,0.78,0.999,0.05044205332054006,0.28168905489685425,0.7395140840243986,0.8420002056061956,0.47841134946199715
EOS-2-40146,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1Cl,RNNTWQSTNBTMFJ-UHFFFAOYSA-N,2,1,0.355,93,689,485.338,5.408,6,0.332,0.79,1.0,0.07199643615927627,0.34680625042834623,0.690194297854842,0.8528887670481804,0.49047143787266123
EOS-2-40147,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(Cl)ccn6)nn5)n34)cc2)c1,DVBMKLUWVGONOM-UHFFFAOYSA-N,2,1,0.373,3,550,485.338,5.408,6,0.332,0.74,1.0,0.005679871153450758,0.2008172846275101,0.7584555547940511,0.8808340758001508,0.4614466965937907
EOS-2-40148,Clc1cnc(-c2ccccc2)c(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)c1,VVYUSCHDCJAHAH-UHFFFAOYSA-N,2,1,0.307,30,317,485.338,5.408,6,0.311,0.73,0.997,0.021477280515386197,0.16218045370433828,0.6491587279830032,0.782648550476321,0.40386625316976216
EOS-2-40149,Clc1ccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5cccc(Cl)c5)n34)nn2)cc1,BZFYPPHBTFDWHV-UHFFFAOYSA-N,2,1,0.357,3,783,485.338,5.408,6,0.332,0.67,1.0,0.014178260571585223,0.21014666575286134,0.7136505380028785,0.8559985607566308,0.44849350627098894
EOS-2-40150,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c(Cl)c1,XUGIDEFTXVUQNO-UHFFFAOYSA-N,2,1,0.351,93,689,485.338,5.408,6,0.332,0.77,1.0,0.09183743403467891,0.3660389966417655,0.6338324994859845,0.8319512027962442,0.48091503323966833
EOS-2-40151,Clc1ccc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cc1,PHHGEKRBUKSLDN-UHFFFAOYSA-N,2,1,0.322,3,317,485.338,5.408,6,0.311,0.62,0.988,0.01673120416695223,0.23539339318758137,0.7035072990199438,0.8240096634911932,0.44491038996641763
EOS-2-40152,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cc1Cl,ZQEHHISGKOCOKE-UHFFFAOYSA-N,2,1,0.363,42,150,485.338,5.408,6,0.332,0.76,1.0,0.029350284421903912,0.2663628263998355,0.8890840243986019,0.9224607634843397,0.5268144746761703
EOS-2-40153,Clc1cccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)c1,OQZAQAZGOPYDLE-UHFFFAOYSA-N,2,1,0.349,3,783,485.338,5.408,6,0.332,0.65,1.0,0.009020971831951203,0.16218902062915497,0.7009629223493935,0.852897333972997,0.43126756219587414
EOS-2-40154,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)nc1Cl,MKLFBEGUUXADKX-UHFFFAOYSA-N,2,1,0.366,42,150,485.338,5.408,6,0.311,0.71,0.986,0.018538825303269137,0.2609827976149681,0.8132924405455417,0.8709307107120828,0.49093619354396545
EOS-2-40155,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)cc1-c1ccccn1,OMGMBTKDKCEZEF-UHFFFAOYSA-N,2,1,0.314,3,192,485.338,5.612,6,0.349,0.68,1.0,0.28966486190117197,0.47576416969364677,0.8381622232883285,0.8987732163662532,0.6255911178123501
EOS-2-40156,COc1cc(-c2nnc3cncc(OCc4cncc(-c5csc(Cl)n5)c4)n23)ccc1Cl,KFHMSEKZWZKDRN-UHFFFAOYSA-N,2,1,0.494,97,67,485.356,5.204,5,0.327,0.77,1.0,0.8529401685970804,0.8381707902131451,0.7902731135631553,0.7607857583441848,0.8105424576793914
EOS-2-40157,COc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nc5)ns4)n23)ccc1Cl,MXARGJOVEWFDLJ-UHFFFAOYSA-N,2,1,0.494,97,67,485.356,5.204,5,0.306,0.63,1.0,0.7574360907408677,0.8082807895277911,0.7447741758618326,0.7504797477897334,0.7652427009800562
EOS-2-40158,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)s5)n34)cc2Cl)cc1=O,PSJFKAAPSYQXIO-UHFFFAOYSA-N,2,1,0.512,97,91,485.356,4.499,5,0.365,0.63,1.0,0.7064286203824275,0.582473785210061,0.6984356795284764,0.7376207936399151,0.68123971969022
EOS-2-40159,COc1cc(-c2nnc3cncc(OCc4ncc(-c5cc(Cl)ccn5)s4)n23)ccc1Cl,LHPUTTNMRTXXGL-UHFFFAOYSA-N,2,1,0.528,4,67,485.356,5.204,5,0.327,0.71,1.0,0.6544702213693373,0.7837108491535878,0.657725652799671,0.6967394284147762,0.698161537934343
EOS-2-40160,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c(Cl)c2)cc1=O,KVSZLPZCRYXFRK-UHFFFAOYSA-N,2,1,0.478,4,470,485.356,4.499,5,0.365,0.74,1.0,0.4500119936947433,0.5875454047015284,0.6794942087588239,0.7429065862517991,0.6149895483517237
EOS-2-40161,Clc1ccc(COc2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)cc1Cl,JXTXQOFQCSYEKE-UHFFFAOYSA-N,2,1,0.658,59,294,485.356,5.108,5,0.317,0.75,1.0,0.7094099102186279,0.7620879309163183,0.7818860941676375,0.784918785552738,0.7595756802138305
EOS-2-40162,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2Cl)ns1,CTGNDYXJZKUVCV-UHFFFAOYSA-N,2,1,0.452,18,773,485.36,4.337,5,0.327,0.6,1.0,0.5316633541224042,0.6014323898293469,0.2078935645260777,0.31079089849907476,0.4129450517442259
EOS-2-40163,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccc2Cl)s1,IMZIJJGTZTZCEF-UHFFFAOYSA-N,2,1,0.511,20,279,485.36,4.337,5,0.35,0.71,1.0,0.670156260708656,0.8665187444314989,0.232540607223631,0.3618497704064149,0.5327663456925502
EOS-2-40164,N=c1ncc(-c2ccnc(-c3nnc4cncc(OCCc5c(Cl)csc5Cl)n34)c2)c[nH]1,DGULEOZBIVPZSI-UHFFFAOYSA-N,2,1,0.414,18,840,485.36,4.046,5,0.375,0.63,1.0,0.5914090877938455,0.5257778767733534,0.49764409567541634,0.55008224247824,0.5412283256802137
EOS-2-40165,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)cc1Cl,CJRLFCJPKDBYNT-UHFFFAOYSA-N,2,1,0.568,57,80,485.371,6.587,5,0.272,0.75,1.0,0.9839798505928312,0.9820351586594476,0.9529161812075937,0.9713093687889796,0.972560139812213
EOS-2-40166,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5cc(F)cc(C(F)(F)F)c5)n34)c2)nc1,DYUVWRNRERYGCJ-UHFFFAOYSA-N,2,1,0.489,73,665,485.376,4.519,5,0.338,0.62,1.0,0.8935902268521692,0.872318552532383,0.9835343705023645,0.9644044273867453,0.9284618943184154
EOS-2-40167,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cnc(C(F)(F)F)nc5)c(F)c4)n23)c1,FBVZURBIJKJWGT-UHFFFAOYSA-N,2,1,0.524,27,716,485.376,4.519,5,0.338,0.65,1.0,0.9711208964430128,0.9431927215406758,0.9722174628195462,0.9358337331231581,0.9555912034815983
EOS-2-40168,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(C(F)(F)F)nc5)c(F)c4)n23)nc1,GVRKPJFZIUSXJH-UHFFFAOYSA-N,2,1,0.573,27,716,485.376,4.519,5,0.338,0.63,1.0,0.9018573093002535,0.9361764101158249,0.9661092454252621,0.9233688575149065,0.9318779555890618
EOS-2-40169,Fc1ccc(C(F)(F)F)cc1-c1nnc2cncc(OCc3ccc(F)c(-c4cnccn4)n3)n12,YNCQVCCBGYLQRH-UHFFFAOYSA-N,2,1,0.457,27,877,485.376,4.519,5,0.338,0.65,1.0,0.7948392844904393,0.87517990542115,0.9796021520115139,0.9583647453909945,0.9019965218285244
EOS-2-40170,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccnc(-c5cnc(C(F)(F)F)nc5)c4)n23)cc1,GTECPKYYDREWAX-UHFFFAOYSA-N,2,1,0.468,27,121,485.376,4.931,5,0.326,0.85,1.0,0.6397179768350353,0.8312144472620109,0.9801333013501473,0.947313412377493,0.8495947844561716
EOS-2-40171,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(C(F)(F)F)n4)n23)c(F)c1,JCCDIZMACVTOEY-UHFFFAOYSA-N,2,1,0.457,27,267,485.376,4.519,5,0.338,0.61,1.0,0.7666284010691522,0.7879429100130217,0.9410424234116921,0.8891782605715852,0.8461979987663628
EOS-2-40172,Fc1cnc(COc2cncc3nnc(-c4ccc(C(F)(F)F)c(F)c4)n23)cc1-c1cccnn1,JBPAMQJPEFLTAW-UHFFFAOYSA-N,2,1,0.5,27,51,485.376,4.519,5,0.338,0.64,1.0,0.8769189911589336,0.9029710095264204,0.9867212665341649,0.9688592282914125,0.9338676238777328
EOS-2-40173,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nc2)cc1F,YGRZAUNUUWDKRJ-UHFFFAOYSA-N,2,1,0.557,27,69,485.376,4.519,5,0.338,0.72,1.0,0.9168751285038722,0.9390720307038586,0.9798420259063807,0.9486755534233432,0.9461161846343638
EOS-2-40174,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5csc(Br)n5)n34)c2)cs1,LVVJMRJWOJETRI-UHFFFAOYSA-N,2,1,0.524,4,31,485.392,5.021,5,0.348,0.81,1.0,0.5498423685833733,0.5582208210540744,0.26462374066205196,0.23870879309163182,0.4028489308477829
EOS-2-40175,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)sc5Cl)n34)c2)nn1C,LQKMQPFAIBVERO-UHFFFAOYSA-N,2,1,0.542,15,438,485.4,5.49,5,0.318,0.71,1.0,0.5419693646768556,0.6491587279830032,0.6074977725995476,0.6300973202659174,0.6071807963813309
EOS-2-40176,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)sc5Cl)n34)c2)cn1,WUCJREUCXJPTNN-UHFFFAOYSA-N,2,1,0.524,15,438,485.4,5.665,5,0.297,0.73,1.0,0.43828387362072513,0.4581163045713111,0.6463744774175861,0.6882324720718251,0.5577517819203619
EOS-2-40177,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nn2C)ccc1Cl,ZCUBYGMXUGCTNB-UHFFFAOYSA-N,2,1,0.424,95,266,485.4,5.49,5,0.318,0.72,1.0,0.452393598793777,0.4843139606606812,0.6223356863820163,0.69953224590501,0.5646438729353711
EOS-2-40178,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4OC(F)(F)F)n23)cc1,GCPVCBNKKOTHIS-UHFFFAOYSA-N,2,1,0.576,43,520,485.401,4.204,5,0.333,0.71,1.0,0.912805839215955,0.8962374066205195,0.9603351380988281,0.9115465012679048,0.9202312213008019
EOS-2-40179,FC(F)Oc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)c1,JRKPWNNYHQNHEZ-UHFFFAOYSA-N,2,1,0.627,27,519,485.401,4.625,5,0.296,0.66,1.0,0.5060825166198342,0.7127167431978617,0.9583561784661778,0.912574532245905,0.7724324926324447
EOS-2-40180,FCn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)nc2)cn1,BRYKOYCDCUEXMN-UHFFFAOYSA-N,2,1,0.614,27,996,485.401,4.454,5,0.315,0.72,1.0,0.5185730930025358,0.6735658967856898,0.9598039887601947,0.9012233568638202,0.7632915838530601
EOS-2-40181,Cn1nc(-c2cncc(F)c2)cc1COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,PFVXOJWBRHVXAT-UHFFFAOYSA-N,2,1,0.523,27,996,485.401,4.204,5,0.333,0.65,1.0,0.7518590226852169,0.8416489616887122,0.9509372215749434,0.89996401891577,0.8611023062161607
EOS-2-40182,CC(F)(F)n1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)nc1F,HCBVFIXDNCSTEB-UHFFFAOYSA-N,2,1,0.431,31,814,485.405,3.309,5,0.255,0.57,0.697,0.5713624837228428,0.5440168597080393,0.5883164279350285,0.4873552189705983,0.5477627475841271
EOS-2-40183,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6conn6)cn5)n34)c(F)c2)n1,UHLVYMUPCQXILS-UHFFFAOYSA-N,2,1,0.429,81,218,485.414,3.551,6,0.323,0.53,1.0,0.5241501610581866,0.5489856761017066,0.5391422794873553,0.5401446096909054,0.5381056815845384
EOS-2-40184,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)ncc2F)cn1,AZPNZQCVLUVNBT-UHFFFAOYSA-N,2,1,0.436,40,59,485.414,3.551,6,0.323,0.69,1.0,0.7807381262422041,0.6833493249263245,0.46674319786169555,0.4408967856898088,0.5929318586800082
EOS-2-40185,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5cc(F)cc(-c6cncnc6)c5)n34)o2)nc1,FFZGNJFUJPTATG-UHFFFAOYSA-N,2,1,0.484,6,868,485.414,3.551,6,0.345,0.67,1.0,0.557406963196491,0.5532777054348571,0.47360530463984646,0.5066393667329175,0.522732335001028
EOS-2-40186,Fc1ccc(-n2nnnc2COc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)cc1,QKSQJBALGDYBLL-UHFFFAOYSA-N,2,1,0.412,6,434,485.418,2.476,6,0.324,0.61,1.0,0.3476972106092797,0.42714687135905693,0.2683846206565691,0.32293879788910973,0.34154187512850387
EOS-2-40187,COc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncc(F)cn6)nn5)n34)cn2)cc1F,SZGYCENQNBWOMH-UHFFFAOYSA-N,2,1,0.272,86,872,485.418,2.573,6,0.358,0.68,0.93,0.11722979919128229,0.2609913645397848,0.2288910972517305,0.22369954081282983,0.20770295044890685
EOS-2-40188,Fc1cc(-c2cncnc2)c(F)nc1-c1nnc2cncc(OCc3cccc(-c4nc[nH]n4)n3)n12,VSALPVBUEPMUGD-UHFFFAOYSA-N,2,1,0.394,46,584,485.418,2.681,6,0.349,0.63,0.798,0.5547512165033239,0.5164142279487355,0.3124957165375917,0.307638270166541,0.422824857789048
EOS-2-40189,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)c(F)cn2)nc1,YRWMPNQWIYWOHV-UHFFFAOYSA-N,2,1,0.478,56,893,485.418,2.681,6,0.374,0.66,1.0,0.8270080871770269,0.6249571653759166,0.4087708176273045,0.39973271194571997,0.565117195531492
EOS-2-40190,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)ncc2F)cn1,PJPGKWNFBCQBBH-UHFFFAOYSA-N,2,1,0.432,56,893,485.418,2.681,6,0.349,0.64,1.0,0.6970478377081762,0.6161760674388321,0.3496419025426633,0.3518864368446303,0.5036880611335754
EOS-2-40191,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cc(-c6nn[nH]n6)ccn5)n4)n23)cc1,CWWVCXPRZLCJQV-UHFFFAOYSA-N,2,1,0.484,73,335,485.418,2.681,6,0.374,0.68,1.0,0.8087177026934411,0.7171801110273456,0.2980090466726064,0.3454012747584127,0.5423270337879514
EOS-2-40192,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(-c6cnc(F)nc6)nc5)n34)n2)cc1,VFOMACOPZALVCK-UHFFFAOYSA-N,2,1,0.417,6,288,485.418,2.476,6,0.324,0.54,0.977,0.2707319580563361,0.36119868412034817,0.24673600164484957,0.2832225344390378,0.2904722945651429
EOS-2-40193,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5c(F)cc(-c6nc[nH]n6)cc5F)n34)cc2)cc1F,ILCHKHYNLRNHPW-UHFFFAOYSA-N,2,1,0.313,83,834,485.429,5.033,6,0.363,0.61,1.0,0.43577376464944145,0.587553971626345,0.9443492563909259,0.9457713659104928,0.7283620896443013
EOS-2-40194,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)nn1,VGXIOUKGAHOYAZ-UHFFFAOYSA-N,2,1,0.35,69,958,485.429,5.589,6,0.321,0.74,1.0,0.3591940237132479,0.44045130559934204,0.9608577205126447,0.9191710643547393,0.6699185285449935
EOS-2-40195,Fc1cc(F)c(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc1F,NUMARKVWRKQPJQ-UHFFFAOYSA-N,2,1,0.271,3,301,485.433,3.972,6,0.341,0.72,0.756,0.22476183949009665,0.32724796107189363,0.5946730861489959,0.7293023096429305,0.4689962990884792
EOS-2-40196,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)c(F)c2)cc1F,IIHICBAFRLQUDL-UHFFFAOYSA-N,2,1,0.329,3,192,485.433,4.426,6,0.393,0.48,1.0,0.3080580494825577,0.41367966554725516,0.7990713453498732,0.8094801590021246,0.5825723048454526
EOS-2-40197,Fc1cc(-c2cn(C(F)F)nn2)ncc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,BWWVTELCQYDJBN-UHFFFAOYSA-N,2,1,0.305,30,945,485.433,4.708,6,0.349,0.67,1.0,0.1416027002947022,0.3272565279967103,0.7680590775135357,0.7731735316290864,0.5025229593585087
EOS-2-40198,FC(F)(F)c1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)n1,YUFHGROUFUGSJC-UHFFFAOYSA-N,2,1,0.356,32,664,485.433,4.515,6,0.362,0.76,0.996,0.0167397710917689,0.21015523267767802,0.8585857720512645,0.7555685011308341,0.4602623192378864
EOS-2-40199,Fc1cc(-c2cncc3nnc(-c4ccc(-c5n[nH]c(C(F)F)n5)cc4)n23)ccc1-c1cncnc1,PUQWJDORQFVWBL-UHFFFAOYSA-N,2,1,0.306,9,171,485.433,4.777,6,0.374,0.64,1.0,0.31085086697279146,0.4136882324720718,0.8572493317798643,0.8300322116373107,0.6029551607155095
EOS-2-40200,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C(F)F)nn6)nc5)n34)cc2)nc1,ZJNPBNZGJXMQNC-UHFFFAOYSA-N,2,1,0.307,32,727,485.433,4.708,6,0.349,0.68,1.0,0.1471112329518196,0.31779864299910904,0.8011959427044069,0.7919265300527722,0.5145080871770269
EOS-2-40201,Fc1ccnc(-c2nc(C(F)F)ncc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1,ORIVVGSYEIMDOJ-UHFFFAOYSA-N,2,1,0.277,10,195,485.433,4.573,6,0.353,0.66,0.935,0.021485847440202866,0.17004489068603934,0.6252056061956001,0.6448752655746693,0.3654029024741279
EOS-2-40202,FC(F)(F)c1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)n1,VKLPKTJIFXDAQA-UHFFFAOYSA-N,2,1,0.333,30,945,485.433,4.515,6,0.362,0.77,1.0,0.030523953121787403,0.170053457610856,0.8332619422931944,0.7453909944486328,0.44480758686861765
EOS-2-40203,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4F)n23)no1,QOQDSXFASMXYAM-UHFFFAOYSA-N,2,1,0.495,1,881,485.439,3.48,6,0.331,0.7,1.0,0.4638647111232952,0.49857789048043316,0.23254917414844767,0.2712374066205195,0.3665572955931739
EOS-2-40204,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(Oc3ccc(-c4nnco4)cc3F)n12,VAFNCDNQNYRYAD-UHFFFAOYSA-N,2,1,0.402,67,622,485.439,3.577,6,0.345,0.72,1.0,0.5629925981769583,0.46275957782194505,0.4271383044342403,0.3229473648139264,0.44395946131176756
EOS-2-40205,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnn(C)n6)cn5)n34)c(F)c2)n1,UFXJEIDFHZIHDA-UHFFFAOYSA-N,2,1,0.474,71,415,485.443,2.453,6,0.342,0.56,1.0,0.45002056061956003,0.4803046398464807,0.10553594681653074,0.08946439586046193,0.28133138578575834
EOS-2-40206,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)ncc2F)o1,MLZSDLRAIOVECE-UHFFFAOYSA-N,2,1,0.426,71,428,485.443,2.453,6,0.342,0.71,1.0,0.579561030772394,0.44045987252415875,0.04369988348982249,0.04206360084983894,0.2764460969090536
EOS-2-40207,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnn(C)n6)c(F)c5)n34)n2)no1,DLFFWHCENVOJAW-UHFFFAOYSA-N,2,1,0.479,71,415,485.443,2.453,6,0.342,0.61,1.0,0.4613289013775615,0.507581728462751,0.06604242341169214,0.06425193612500857,0.27480124734425326
EOS-2-40208,CCOc1cncc2nnc(-c3ccc(OCc4ccc(-c5c(F)ccc(F)c5C#N)cc4)nn3)n12,FJGJRWLGRYZVAP-UHFFFAOYSA-N,2,1,0.408,19,691,485.454,4.376,5,0.334,0.67,0.985,0.8189551778493592,0.8416575286135289,0.8445531492015627,0.7896819957508053,0.823711962853814
EOS-2-40209,Cn1c(-c2ccoc2)nnc1-c1cncc2nnc(-c3ccc(OC(F)F)c(-c4ccccc4)c3)n12,MXWLDGUNTACVTF-UHFFFAOYSA-N,2,1,0.366,8,474,485.454,5.115,6,0.323,0.66,1.0,0.33346754848879445,0.38984648070728534,0.6902028647796586,0.7266636967993969,0.5350451476937839
EOS-2-40210,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C(F)(F)F)n5)n34)cn2)s1,QXPRLVIDOVTXCF-UHFFFAOYSA-N,2,1,0.474,58,579,485.455,3.444,5,0.356,0.66,1.0,0.6574258104310876,0.77501542046467,0.31625659653210886,0.18947467617024194,0.4845431258995271
EOS-2-40211,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(-c6nncn6C)cc5F)n34)cc2)n[nH]1,XGFJDEBLFVKFJI-UHFFFAOYSA-N,2,1,0.419,67,722,485.458,4.356,6,0.386,0.62,1.0,0.5855664450688781,0.6110873140977314,0.6520029470221369,0.5915632924405455,0.610054999657323
EOS-2-40212,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)cc1,UKUBLILRIXNBIM-UHFFFAOYSA-N,2,1,0.531,67,722,485.458,4.638,6,0.339,0.7,1.0,0.4959221437872661,0.5582293879788911,0.7395226509492153,0.6506493729011035,0.6110808889041189
EOS-2-40213,Cn1nc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cc4)n23)cc1-c1ccc(F)c(F)c1,QVANWFVLEFZIHO-UHFFFAOYSA-N,2,1,0.478,43,965,485.458,3.63,6,0.355,0.67,1.0,0.2869405798094716,0.2816976218216709,0.6795027756836406,0.6562607086560208,0.476100421492701
EOS-2-40214,Cn1nc(-c2nnc3cncc(OCc4cccc(-n5cccn5)n4)n23)cc1-c1ccc(F)c(F)c1,ZGNOZVXNSQNGLV-UHFFFAOYSA-N,2,1,0.42,95,965,485.458,3.63,6,0.355,0.62,0.999,0.23021897059831403,0.24589644301281613,0.5221883352751696,0.5066479336577342,0.37623792063600847
EOS-2-40215,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnn(C(F)F)c5)cc4)n23)cc1,YMGMHWQTHKMPOV-UHFFFAOYSA-N,2,1,0.519,67,722,485.458,4.638,6,0.339,0.71,1.0,0.48109279692961415,0.5212716743197862,0.739531217874032,0.6506579398259201,0.5981384072373381
EOS-2-40216,Cc1n[nH]c(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5F)n34)n(C)n2)n1,UJVSYCSHHHHGMU-UHFFFAOYSA-N,2,1,0.36,67,622,485.458,4.356,6,0.386,0.56,1.0,0.43334932492632444,0.530121307655404,0.5221969021999863,0.5200723048454526,0.5014349599067919
EOS-2-40217,FC(F)n1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc5ccccc5n4)n23)nc1,NOQMDXMSNSJQJC-UHFFFAOYSA-N,2,1,0.4,11,891,485.458,4.01,6,0.334,0.64,1.0,0.41979644986635595,0.4449318072784593,0.46675176478651226,0.4536615036666438,0.4462853813994928
EOS-2-40218,COc1ccc2ncc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)c(OC)c5)n34)n2n1,ILRMMOGSANNARL-UHFFFAOYSA-N,2,1,0.42,72,925,485.464,2.523,6,0.314,0.61,1.0,0.3334761154136111,0.16219758755397162,0.09786854910561305,0.05523953121787403,0.16219544582276746
EOS-2-40219,Cn1c(COc2cncc3nnc(-c4ccc(-c5cnn(CCO)c5)nn4)n23)ccc1-c1nnco1,ZCLGKKTYSMFMEI-UHFFFAOYSA-N,2,1,0.324,53,44,485.468,1.405,6,0.332,0.54,0.042,0.24143307518333218,0.053714618600507164,0.05063909259132342,0.0339849907477212,0.09494294428072099
EOS-2-40220,c1ccc(-c2nnc(-c3cncc(-c4cncc5nnc(-c6ccc(-c7nc[nH]n7)cc6)n45)n3)o2)cc1,JJBJNWMXQUDFFX-UHFFFAOYSA-N,2,1,0.321,93,594,485.471,3.75,7,0.382,0.51,1.0,0.15830820368720444,0.14667431978616954,0.17739531217874033,0.20929854019601124,0.17291909396203137
EOS-2-40221,COc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c2c1OCO2,ZXXRPORLBGVFHP-UHFFFAOYSA-N,2,1,0.583,91,955,485.475,4.351,6,0.336,0.58,1.0,0.9183315057227058,0.5718850661366596,0.7110890274826948,0.5882650263861284,0.6973926564320472
EOS-2-40222,Fc1ccc(-c2nsc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cc1F,MNDNONAJHUTCDZ-UHFFFAOYSA-N,2,1,0.433,41,363,485.479,5.442,6,0.321,0.76,1.0,0.6639623740662052,0.7080306353231444,0.6741313138235899,0.7078421629771777,0.6884916215475293
EOS-2-40223,Fc1ccc(-c2cncc(-c3nnc4cncc(OC5COCCC5Oc5ccncc5)n34)c2)nc1,AMELDBJDOHRVOZ-UHFFFAOYSA-N,2,1,0.365,2,307,485.479,3.398,6,0.357,0.45,0.998,0.5574155301213076,0.43640771708587484,0.6463830443424029,0.6186262079363991,0.5647081248714961
EOS-2-40224,Fc1cc(-c2cccnc2F)cnc1Oc1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,XBHQETOIYZEKQZ-UHFFFAOYSA-N,2,1,0.376,41,484,485.479,5.442,6,0.3,0.78,1.0,0.7721883352751696,0.762096497841135,0.7702008087177027,0.7266722637242136,0.7577894763895552
EOS-2-40225,Fc1ccc(-c2nnc3cncc(-c4scnc4-c4ccc(Oc5ncccn5)c(F)c4)n23)cc1,NNSIKQUOXIPAMN-UHFFFAOYSA-N,2,1,0.37,3,192,485.479,5.442,6,0.321,0.74,1.0,0.44505174422589266,0.6442070454389692,0.7292766088684806,0.7293108765677473,0.6369615687752724
EOS-2-40226,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cc7ccncc7nn6)cc5)n34)cn2)cc1,ORXKVWUHTYHHPU-UHFFFAOYSA-N,2,1,0.308,3,668,485.486,4.788,7,0.353,0.59,0.998,0.05045062024535673,0.2766859708039202,0.7292851757932972,0.7685045576040025,0.4562315811116442
EOS-2-40227,COc1cc(-c2nnc3cncc(OCc4cncc(-c5ncon5)n4)n23)ccc1-c1cscn1,CEGZQOYZWJSTQK-UHFFFAOYSA-N,2,1,0.459,80,355,485.489,3.342,6,0.329,0.69,1.0,0.379977383318484,0.2870605167569049,0.15805976286752108,0.11007641696936468,0.2337935199780687
EOS-2-40228,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6csc(C)n6)nc5)n34)nn2)no1,OOMIWSUZXPUORB-UHFFFAOYSA-N,2,1,0.413,80,843,485.493,2.741,6,0.34,0.71,1.0,0.3521348776643136,0.34175176478651226,0.011137002261668152,0.006356658213967514,0.17784507573161537
EOS-2-40229,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6nnc(C)s6)cc5)n34)nn2)no1,JVQRGTAHDCVCFS-UHFFFAOYSA-N,2,1,0.44,71,415,485.493,2.741,6,0.34,0.67,1.0,0.35920259063806453,0.3515865944760469,0.009997601261051333,0.0063652251387841825,0.18178800287848676
EOS-2-40230,Cn1c(-c2ccc3occc(=O)c3c2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,KYHVIIDDDDSBDM-UHFFFAOYSA-N,2,1,0.268,69,479,485.503,5.83,7,0.312,0.62,1.0,0.19164210814885888,0.12539407854156673,0.806918648481941,0.8029778630662737,0.48173317455966
EOS-2-40231,COc1nc(C)nc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3ccc(-c4cnco4)s3)n12,PEAPQFMDXQFFEW-UHFFFAOYSA-N,2,1,0.337,32,750,485.504,5.088,6,0.333,0.65,1.0,0.6397265437598519,0.6062213008018642,0.32349564800219316,0.31994894112809263,0.4723481084230005
EOS-2-40232,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)s1,AWSUESIJLUCJLJ-UHFFFAOYSA-N,2,1,0.761,91,309,414.494,4.24,5,0.414,0.78,1.0,0.9002038928106367,0.7621050647659516,0.28714618600507164,0.2772171201425536,0.5566680659310534
EOS-2-40233,Cc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)ccn1,QXQFAKHKWKRSPD-UHFFFAOYSA-N,2,1,0.558,2,419,414.494,4.24,5,0.414,0.74,1.0,0.5713710506476595,0.39951853882530325,0.4941230895757659,0.4315245699403742,0.4741343122472757
EOS-2-40234,Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)n1,RMVVNOIBTUGNQA-UHFFFAOYSA-N,2,1,0.511,58,56,414.494,4.24,5,0.414,0.74,1.0,0.6851912137619081,0.5672760605852923,0.3533599479130971,0.2919436639024056,0.47444272154067574
EOS-2-40235,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cs1,BYUGCRFNMNCHQJ-UHFFFAOYSA-N,2,1,0.582,11,684,414.494,4.24,5,0.414,0.83,1.0,0.6309540127475841,0.49371187718456583,0.37219004866013294,0.31995750805290935,0.4542033616612981
EOS-2-40236,Cc1cncc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)n1,GKYYNPGVNIZTIT-UHFFFAOYSA-N,2,1,0.543,35,426,414.494,4.24,5,0.414,0.68,1.0,0.6574343773559044,0.5118137893221849,0.39456685628126925,0.34861387156466317,0.4781072236310054
EOS-2-40237,COc1cc(-c2cnsc2)ccc1-c1cncc2nnc(-c3cc(C)nc(C)c3)n12,AMMYWOSSXWNOQD-UHFFFAOYSA-N,2,1,0.355,82,697,414.494,4.602,5,0.428,0.57,1.0,0.23859742306901516,0.06138201631142485,0.5493026523199233,0.40925913234185457,0.31463530601055445
EOS-2-40238,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)cc2)nn1,VMMZFGMTHAVXAU-UHFFFAOYSA-N,2,1,0.667,72,889,414.494,4.24,5,0.414,0.78,1.0,0.9128144061407717,0.8161966280583921,0.35336851483791376,0.31396066068124184,0.5990850524295799
EOS-2-40239,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cncn6)nc5)n34)cc2F)cs1,VJHCALLTJKHTGP-UHFFFAOYSA-N,2,1,0.516,97,214,485.508,3.917,6,0.349,0.69,0.997,0.42685559591529026,0.389855047632102,0.43071071208279077,0.36185833733123157,0.4023199232403537
EOS-2-40240,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(-c4ccc(F)cn4)s3)n12,TZFMMKJJMLFZMG-UHFFFAOYSA-N,2,1,0.44,76,272,485.508,3.823,6,0.35,0.67,0.838,0.4151874443149887,0.41369679939688847,0.08841923103282845,0.12184737166746624,0.259787711603043
EOS-2-40241,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cc6)s5)n34)nc2)nn1,FSLFIPLTSPPLAA-UHFFFAOYSA-N,2,1,0.4,6,946,485.508,3.823,6,0.35,0.67,1.0,0.3030720992392571,0.38986361455691865,0.2906329244054554,0.31396922760605855,0.3243844664519224
EOS-2-40242,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(F)cn5)ns4)n23)cc1,DVPZVNPANPJCMH-UHFFFAOYSA-N,2,1,0.442,40,8,485.508,3.823,6,0.35,0.65,1.0,0.5943818107052292,0.5718936330614762,0.23255774107326435,0.2564851620862175,0.4138295867315468
EOS-2-40243,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5F)n34)c2)nn1,ZLLJBAWXTMKHFT-UHFFFAOYSA-N,2,1,0.5,40,247,485.508,3.823,6,0.35,0.62,1.0,0.37765574669316704,0.46695737098211226,0.4307192790076074,0.39364162840106914,0.41724350627098894
EOS-2-40244,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(F)cn5)n4)n23)cc1,LGLFQYYBGXRNQA-UHFFFAOYSA-N,2,1,0.494,67,609,485.508,3.823,6,0.35,0.76,1.0,0.6366595846754849,0.5719021999862929,0.24319786169556576,0.24151874443149887,0.42331959769721056
EOS-2-40245,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncs6)cn5)n34)cc2F)n[nH]1,OFYLCZLAQLSQFG-UHFFFAOYSA-N,2,1,0.463,40,355,485.508,4.121,6,0.374,0.59,1.0,0.6084144335549311,0.6296861078747172,0.42714687135905693,0.38107394969501746,0.5115803406209307
EOS-2-40246,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)cc1,ACRWRCCTZGMUIY-UHFFFAOYSA-N,2,1,0.662,1,230,414.49,4.591,5,0.44,0.82,1.0,0.8292868891782605,0.5347731478308546,0.8632718799259818,0.8162308957576588,0.760890703173189
EOS-2-40247,N#CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccncc5)c4)n23)cc1,RKPZXQZUCUUPAT-UHFFFAOYSA-N,2,1,0.5,77,755,485.511,4.214,6,0.33,0.63,1.0,0.46631485162086217,0.27669453772873687,0.6013638544308135,0.5791326845315605,0.4808764820779933
EOS-2-40248,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccccc4-c4cccc(C#N)c4)n23)nn1,QCUILJMITGBXKV-UHFFFAOYSA-N,2,1,0.404,77,363,485.511,4.193,6,0.344,0.68,1.0,0.37523130697005,0.3317370296758276,0.5046090055513672,0.4813498046741142,0.4232317867178398
EOS-2-40249,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnc7ncccn67)n5C)n34)cc2)cn1,IBSHHUKGHFDJQB-UHFFFAOYSA-N,2,1,0.267,42,167,485.515,3.667,7,0.371,0.57,1.0,0.08237954903707766,0.06139058323624152,0.15806832979233773,0.17552772256870675,0.11934154615859091
EOS-2-40250,CN(C)C(=O)Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2)cn1,QOXBZWFRUDIZNP-UHFFFAOYSA-N,2,1,0.609,91,322,485.523,3.504,5,0.334,0.72,1.0,0.3729182372695497,0.33669727914467823,0.3125042834624083,0.25328113220478377,0.318850233020355
EOS-2-40251,CN(C=O)CCCn1cc(-c2ccc(COc3cncc4nnc(-c5cccc(F)c5)n34)cc2)cn1,WNZURUQOSDVSJH-UHFFFAOYSA-N,2,1,0.5,43,322,485.523,3.851,5,0.279,0.68,1.0,0.27321636625316975,0.2714858474402029,0.3162651634569255,0.29195223082722227,0.2882299019943801
EOS-2-40252,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(N6CCCC6)n5)n34)cc2F)cn1,JXVPFSYUANKDNH-UHFFFAOYSA-N,2,1,0.475,15,460,485.527,3.343,6,0.346,0.7,1.0,0.42441402234253994,0.2609999314646015,0.007436090740867658,0.03184325954355425,0.18117332602289085
EOS-2-40253,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6cccc6)cc5)n34)cc2)nc1,YFRQUYHMPNZPGV-UHFFFAOYSA-N,2,1,0.324,69,695,414.472,5.311,6,0.392,0.81,1.0,0.0317747241450209,0.029795764512370638,0.8050253580974573,0.8140377630045919,0.4201584024398602
EOS-2-40254,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cc1,KHLRSRCQBUNJBQ-UHFFFAOYSA-N,2,1,0.373,21,68,414.472,5.311,6,0.392,0.85,1.0,0.015891645534918786,0.08673154684394489,0.7680676444383524,0.8116904256048249,0.4205953156055102
EOS-2-40255,Fc1sccc1-c1ccc(-c2cncc3nnc(-c4ccc(C5CC5)nc4)n23)nc1,GLJNMEVAJXVJNQ-UHFFFAOYSA-N,2,1,0.397,82,478,414.469,4.993,6,0.414,0.63,0.991,0.29251764786512235,0.4043074497978206,0.4840569529161812,0.6186347748612158,0.44987920636008494
EOS-2-40256,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cc2)cc1,MRMKKFMQZNXWKN-UHFFFAOYSA-N,2,1,0.403,21,810,414.468,6.385,6,0.336,0.87,1.0,0.22185765197724625,0.13206771297375094,0.8997241450209033,0.9148619011719553,0.542127852785964
EOS-2-40257,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)cc2)cc1,WMMRACPYPLNODO-UHFFFAOYSA-N,2,1,0.41,21,810,414.468,6.385,6,0.336,0.84,1.0,0.2192618737577959,0.1356401206223014,0.9112295250496881,0.927532382975807,0.5484159756013981
EOS-2-40258,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)n(C)n2)no1,CXUSHJKNYZKIGB-UHFFFAOYSA-N,2,1,0.446,56,415,485.533,3.894,6,0.346,0.64,1.0,0.3208399013090261,0.31260708656020836,0.0639777945308752,0.04207216777465561,0.1848742375436913
EOS-2-40259,Cc1cc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)s2)nn1C,BJYXJKGDZFPJSI-UHFFFAOYSA-N,2,1,0.396,92,502,485.537,2.726,6,0.35,0.62,1.0,0.21115756288122817,0.19135083270509218,0.014495236789801932,0.007504626139401001,0.10612706462888082
EOS-2-40260,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)sn2)n1C,YGOLUWCDVLFNPW-UHFFFAOYSA-N,2,1,0.462,92,502,485.537,2.726,6,0.35,0.62,0.98,0.31604242341169214,0.20082585155232677,0.013270166541018437,0.008318483996984443,0.13461423137550543
EOS-2-40261,CN(C)Cc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,IGYNCZWKODHERN-UHFFFAOYSA-N,2,1,0.744,79,650,485.538,5.42,5,0.294,0.78,1.0,0.8391902542663285,0.8751884723459666,0.9216811733260228,0.8738948666986499,0.8774886916592419
EOS-2-40262,Cn1nc(-c2ccsc2)nc1COc1cncc2nnc(-c3ccc(C#N)cc3)n12,TUPRQUOXZPYYTC-UHFFFAOYSA-N,2,1,0.525,36,926,414.454,3.099,5,0.435,0.67,1.0,0.5768281817558769,0.5257864436981701,0.1742341169213899,0.2035329997943938,0.37009543554245766
EOS-2-40263,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)s4)n23)cn1,AEQLPPNOUPXWTI-UHFFFAOYSA-N,2,1,0.44,7,464,414.454,3.099,5,0.435,0.73,1.0,0.552403879103557,0.42715543828387365,0.38725926941265165,0.3107994654238914,0.4194045130559934
EOS-2-40264,C#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)nn2C)cn1,WXOYFTMFRIVTQD-UHFFFAOYSA-N,2,1,0.422,92,462,414.454,2.604,5,0.408,0.68,0.986,0.23297752038928107,0.09913645397847988,0.17424268384620656,0.13270166541018436,0.15976458090603798
EOS-2-40265,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cc2)cc1,WDWPNUKXELCYJB-UHFFFAOYSA-N,2,1,0.547,17,403,485.547,6.267,6,0.253,0.84,1.0,0.582422383661161,0.4088222191762045,0.7772685216914537,0.7582842162977178,0.6316993352066342
EOS-2-40266,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cc2)cc1,SCMWXBZMUFKOLU-UHFFFAOYSA-N,2,1,0.646,17,403,485.547,6.267,6,0.253,0.78,1.0,0.8550304982523473,0.6735744637105064,0.8413833870193955,0.8051709958193407,0.7937898362003976
EOS-2-40267,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5cccc(-c6ccccn6)c5)n34)cc2)cc1,OIWBGTNJSSBOPA-UHFFFAOYSA-N,2,1,0.612,17,403,485.547,6.267,6,0.253,0.85,1.0,0.7605030498252348,0.5164227948735521,0.7966897402508396,0.7582927832225345,0.7079770920430402
EOS-2-40268,c1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccncc6)cc5)n34)cc2)cc1,DXPZMKHPXNBTQI-UHFFFAOYSA-N,2,1,0.693,17,403,485.547,6.267,6,0.253,0.77,1.0,0.8111764101158249,0.6392724967445685,0.8495733671441299,0.8116989925296415,0.7779303166335412
EOS-2-40269,c1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)nc5)n34)cc2)cc1,OCVFPJHHZTYNHA-UHFFFAOYSA-N,2,1,0.625,17,403,485.547,6.267,6,0.253,0.79,1.0,0.9049585360838873,0.6544445205948872,0.7702093756425193,0.740199438009732,0.7674529675827565
EOS-2-40270,CCC#Cc1c(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)c(-c2ccccc2)nn1C,LFFQYBFCAUVDJY-UHFFFAOYSA-N,2,1,0.309,67,642,485.555,4.416,6,0.344,0.67,1.0,0.08447844561716127,0.08674011376876156,0.2360016448495648,0.22995339592899733,0.15929340004112125
EOS-2-40271,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2F)n1,KDKZYGJXPZSWBS-UHFFFAOYSA-N,2,1,0.747,91,309,414.444,3.952,5,0.421,0.77,1.0,0.9035621273387705,0.8577033787951477,0.6902114317044754,0.6562692755808375,0.7769365533548078
EOS-2-40272,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)ccc1F,CIBYVORWBUECHM-UHFFFAOYSA-N,2,1,0.622,91,273,414.444,4.25,5,0.449,0.67,1.0,0.9682766774038791,0.9097131793571379,0.805033925022274,0.75048831471455,0.8583780241244603
EOS-2-40273,Cn1nc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1-c1ccccc1,HWRCEJDDUFZZEE-UHFFFAOYSA-N,2,1,0.63,19,54,414.444,3.952,5,0.421,0.8,1.0,0.5293502844219039,0.4404684394489754,0.5591717497087245,0.5974487697895964,0.5316098108423001
EOS-2-40274,CCn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cc2)cn1,VCARATDYDLLZLZ-UHFFFAOYSA-N,2,1,0.676,43,322,414.444,4.393,5,0.412,0.79,1.0,0.6366681516003015,0.6491672949078199,0.7610084983894181,0.7135220341306284,0.690091494757042
EOS-2-40275,Cn1cccc1CCOc1cncc2nnc(-c3cc(-c4ccc(F)cc4)ccn3)n12,DHTHRGWYOILWNX-UHFFFAOYSA-N,2,1,0.471,11,503,414.444,3.952,5,0.421,0.86,1.0,0.6366767185251182,0.5164313617983689,0.6847714344458913,0.6678517579329724,0.6264328181755876
EOS-2-40276,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1-c1ccccc1,WQCCSNRIIQAESV-UHFFFAOYSA-N,2,1,0.602,19,54,414.444,3.952,5,0.421,0.83,1.0,0.560011308340758,0.43641628401069155,0.5591803166335412,0.6003786580768967,0.5389966417654718
EOS-2-40277,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2)cn1,YGQXBUOFXOIADQ-UHFFFAOYSA-N,2,1,0.707,91,322,414.444,3.952,5,0.421,0.8,1.0,0.7948478514152559,0.8082893564526078,0.77478411349462,0.732206497155781,0.7775319546295661
EOS-2-40278,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cscn6)cn5)n34)cn2)cs1,RTIIGMTZFWLSAF-UHFFFAOYSA-N,2,1,0.418,6,297,485.558,4.111,6,0.343,0.68,1.0,0.4268641628401069,0.4364248509355082,0.11344321842231513,0.08765677472414501,0.2660972517305188
EOS-2-40279,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5csc(-c6ncccn6)n5)n34)c2)s1,QPUMLOHJSKRTGR-UHFFFAOYSA-N,2,1,0.464,81,218,485.558,4.111,6,0.343,0.58,1.0,0.3310773764649441,0.3756939209101501,0.04370845041463916,0.03955349187855527,0.19750830991707213
EOS-2-40280,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6csnn6)cn5)n34)cc2)cs1,KBJZUWQREPSQEI-UHFFFAOYSA-N,2,1,0.472,81,117,485.558,4.111,6,0.343,0.61,1.0,0.34770577753409637,0.3564783085463642,0.154812898362004,0.13468919196765128,0.24842154410252895
EOS-2-40281,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnsc6)cn5)n34)nc2)s1,FBAAXHDNFRIXGX-UHFFFAOYSA-N,2,1,0.436,6,280,485.558,4.111,6,0.343,0.58,1.0,0.23589027482694813,0.27149441436501953,0.13668528544993488,0.11955143581659927,0.19090535261462543
EOS-2-40282,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5nncn5C)n34)cn2)cn1,WOOYVDCSZZHIBO-UHFFFAOYSA-N,2,1,0.447,65,986,414.433,1.702,5,0.408,0.68,1.0,0.33600335823452815,0.22014426701391268,0.028030978000137072,0.018898636145569185,0.1507693098485368
EOS-2-40283,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cnccn4)n23)nc(C)n1,QKIWEVMITLMHNU-UHFFFAOYSA-N,2,1,0.361,7,330,414.433,2.142,5,0.411,0.61,1.0,0.1583167706120211,0.04994517168117332,0.039322184908505246,0.021888492906586253,0.06736815502707148
EOS-2-40284,CCc1cncc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)n1,OEURCHIQOOPTRP-UHFFFAOYSA-N,2,1,0.381,7,45,414.433,1.913,5,0.41,0.65,1.0,0.2358988417517648,0.2052635186073607,0.028039544924953738,0.01596018093345213,0.12129052155438284
EOS-2-40285,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cncnn5)n34)cn2)c(C)n1,FQCSCRRWEGPCHH-UHFFFAOYSA-N,2,1,0.389,92,986,414.433,2.142,5,0.411,0.78,1.0,0.2545490370776506,0.17006202453567268,0.04545610307723939,0.0269858131725036,0.12426324446576657
EOS-2-40286,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ncn2)cn1,FHNRDBZAHAAPGD-UHFFFAOYSA-N,2,1,0.371,31,113,414.433,1.876,5,0.393,0.65,1.0,0.16376533479542182,0.03591254883147146,0.026831608525803578,0.016594133369885546,0.0607759063806456
EOS-2-40287,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)ncn2)cn1,QFFNDCWEKXRYEA-UHFFFAOYSA-N,2,1,0.389,31,296,414.433,1.702,5,0.408,0.64,0.987,0.32851586594476045,0.07288739634020971,0.058066616407374406,0.033993557672537866,0.12336585909122061
EOS-2-40288,CC(C)n1cc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)nn2)cn1,OMDBQRRRRLYDHY-UHFFFAOYSA-N,2,1,0.391,53,44,414.433,2.395,5,0.412,0.69,0.995,0.1529453087519704,0.10245185388253032,0.08362175313549448,0.03956205880337194,0.09464524364334179
EOS-2-40289,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cc(C#N)cc(C#N)c5)n34)cc2)cn1,YTISOOIFKMZBEQ-UHFFFAOYSA-N,2,1,0.365,96,124,414.432,3.967,5,0.438,0.74,1.0,0.2467531354944829,0.23540196011239806,0.8495819340689467,0.8220135700089096,0.5384376499211843
EOS-2-40290,Cc1ccc(-n2nnnc2COc2cncc3nnc(-c4ccc(CO)cc4)n23)cc1,KZIRRMXTMZSHBN-UHFFFAOYSA-N,2,1,0.506,89,250,414.429,2.147,5,0.449,0.76,1.0,0.5134843396614351,0.33174559660064423,0.2180111027345624,0.21262250702487834,0.31896588650538005
EOS-2-40291,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5c(C)noc5C)nn4)n23)cn1,YVJFLUZYDHDIAD-UHFFFAOYSA-N,2,1,0.488,92,205,414.429,3.136,5,0.427,0.79,1.0,0.38459495579466796,0.2870690836817216,0.08842779795764512,0.052480981426907,0.20314320471523542
EOS-2-40292,Cc1nc(-c2cncc3nnc(-c4ccc(-c5cnc(C)o5)cc4)n23)n(C2COC2)n1,YRXXYDKWNPMLSW-UHFFFAOYSA-N,2,1,0.291,61,336,414.429,2.893,6,0.442,0.72,1.0,0.1388612843533685,0.1356486875471181,0.021640052086902884,0.03289699129600439,0.08226175382084847
EOS-2-40293,COc1cc(-c2nnc3cncc(OCc4cnccn4)n23)ccc1-c1cncn1C,NUKXNQIPVMSJSG-UHFFFAOYSA-N,2,1,0.473,7,815,414.429,2.569,5,0.417,0.68,1.0,0.38906689054896854,0.14297340826536906,0.3418374340346789,0.1947262010828593,0.26715098348296895
EOS-2-40294,Cc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5nnc(C)o5)c4)n23)n1,JWNGPWLLDKKWBX-UHFFFAOYSA-N,2,1,0.512,58,241,414.429,2.87,5,0.413,0.75,0.973,0.44047700637379206,0.22015283393872936,0.06802994996915906,0.04447947364813926,0.19328481598245495
EOS-2-40295,COc1cc(-c2nnc3cncc(OCc4cccnc4)n23)ccc1-c1nncn1C,VXBQSNNIAAPTAO-UHFFFAOYSA-N,2,1,0.518,16,375,414.429,2.569,5,0.417,0.69,1.0,0.3846035227194846,0.10246042080734699,0.2683931875813858,0.16738057706805565,0.23070942704406827
EOS-2-40296,COc1ccc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)nc4)n23)cn1,SAMLKNPIOVZQHU-UHFFFAOYSA-N,2,1,0.506,55,283,414.429,2.569,5,0.417,0.72,1.0,0.4151960112398054,0.22016140086354602,0.26840175450620246,0.13035432801041738,0.2585283736549928
EOS-2-40297,Cn1nc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(CO)cc3)n12,KHWVRILWSPOUQY-UHFFFAOYSA-N,2,1,0.529,89,731,414.429,2.053,5,0.449,0.75,1.0,0.4546809677198273,0.3367058460694949,0.12763861284353367,0.11728976766499898,0.2590787985744637
EOS-2-40298,COc1cc(COc2cncc3nnc(-c4ccc(-c5cn(C)cn5)nc4)n23)ccn1,WPQBDNAKDJSXBX-UHFFFAOYSA-N,2,1,0.433,55,823,414.429,2.569,5,0.417,0.66,1.0,0.5035809745733671,0.35648687547118085,0.2941710643547392,0.15162600233020354,0.3264662291823727
EOS-2-40299,COc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccn(C)n5)n4)n23)cn1,MXWHBTBEQDYYJJ-UHFFFAOYSA-N,2,1,0.446,4,617,414.429,2.569,5,0.417,0.69,1.0,0.29532759920498936,0.19135939962990886,0.2043040230278939,0.09726029744362963,0.19706282982660545
EOS-2-40300,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nc[nH]n1,JMDFKIUVGUCYQG-UHFFFAOYSA-N,2,1,0.54,15,604,414.429,2.602,5,0.432,0.61,1.0,0.5343962031389212,0.3074926324446577,0.2871547529298883,0.18391474196422453,0.328239582619423
EOS-2-40301,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCc3ccncc3)n12,DJEOFJFCDISVKY-UHFFFAOYSA-N,2,1,0.465,16,638,414.429,2.569,5,0.417,0.79,1.0,0.22186621890206293,0.10246898773216366,0.34965046946747996,0.22094955794667945,0.2237338085120965
EOS-2-40302,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)nc1,YHRQXXFWLZUYOY-UHFFFAOYSA-N,2,1,0.518,89,677,414.429,2.147,5,0.449,0.69,0.976,0.22187478582687958,0.19136796655472552,0.29801761359742307,0.22095812487149613,0.23305462271263108
EOS-2-40303,Cc1cnc(-c2nnc3cncc(OCc4ccc(-c5c(C)noc5C)cn4)n23)cn1,BVGBTFIGNUPTIP-UHFFFAOYSA-N,2,1,0.435,7,535,414.429,3.136,5,0.427,0.73,1.0,0.2545576040024673,0.1622061544787883,0.10818312658488109,0.05814371873072442,0.14577265094921527
EOS-2-40304,COCn1cc(-c2cncc(COc3cncc4nnc(-c5ccncc5)n34)c2)cn1,AAUMKTXRMVELJG-UHFFFAOYSA-N,2,1,0.461,92,36,414.429,2.628,5,0.4,0.8,1.0,0.18888355835789186,0.0764341032143102,0.3836011925159345,0.27124597354533614,0.23004120690836816
EOS-2-40305,COc1cc(-c2nnc3cncc(OCc4cnccn4)n23)ccc1-c1cnn(C)c1,DURNTFWHEXJZAE-UHFFFAOYSA-N,2,1,0.483,92,815,414.429,2.569,5,0.417,0.71,1.0,0.3208484682338428,0.19602837365499282,0.3681807278459324,0.21263107394969502,0.27442216092111577
EOS-2-40306,Cn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(CO)cc3)n12,NGIFHIVIBYWRIK-UHFFFAOYSA-N,2,1,0.506,89,250,414.429,2.053,5,0.449,0.67,0.998,0.4685679528476458,0.35159516140086355,0.08843636488246179,0.08567781509149476,0.24856932355561645
EOS-2-40307,Cc1cc(C)nc(COc2cncc3nnc(-c4ccc(-c5nnc(C)o5)cc4)n23)n1,KXTLFHOVHTYBLN-UHFFFAOYSA-N,2,1,0.482,36,506,414.429,3.136,5,0.427,0.8,1.0,0.49346343636488244,0.36604756356658213,0.07664827633472689,0.0382684531560551,0.24360693235556163
EOS-2-40308,Cc1cc(COc2cncc3nnc(-c4cccc(Oc5cccnn5)c4)n23)n(C)n1,AEBJSGSNZNVHSJ-UHFFFAOYSA-N,2,1,0.479,36,506,414.429,2.995,5,0.418,0.68,1.0,0.2869491467342883,0.21016379960249468,0.20431258995271057,0.1262250702487835,0.20691265163456923
EOS-2-40309,COc1nc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1ccn(C)n1,GJKMHPKQUNINPE-UHFFFAOYSA-N,2,1,0.512,49,122,414.429,2.569,5,0.417,0.63,1.0,0.21638338701939552,0.1151823041600987,0.14273353437050237,0.0711654444520595,0.13636616750051403
EOS-2-40310,COc1ccccc1COc1cncc2nnc(-c3ccc(-c4nnnn4C)cc3)n12,VVHBXLLKBMYIDD-UHFFFAOYSA-N,2,1,0.603,43,402,414.429,2.569,5,0.417,0.82,1.0,0.4173377424439723,0.25101089712836683,0.23977965869371531,0.16738914399287233,0.2688793605647317
EOS-2-40311,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)c2)n1,QIEUNZVYADLNLG-UHFFFAOYSA-N,2,1,0.605,43,258,414.429,2.053,5,0.449,0.78,1.0,0.657442944280721,0.29244054554177235,0.312512850387225,0.25917517647865124,0.3803928791720924
EOS-2-40312,COc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1cnn(C)c1,OIKXMSGQSKOXDN-UHFFFAOYSA-N,2,1,0.5,36,224,414.429,2.569,5,0.417,0.77,1.0,0.3160509903365088,0.2201699677883627,0.3496590363922966,0.2093071071208279,0.273796775409499
EOS-2-40313,COc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1cnnn1C,YKINOUNDPPRDTG-UHFFFAOYSA-N,2,1,0.624,4,638,414.429,2.569,5,0.417,0.67,1.0,0.16642964841340552,0.14298197519018574,0.2684103214310191,0.16481906654787198,0.1856602528956206
EOS-2-40314,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc[nH]c(=O)c5)n34)ccn2)c1,DMAQIDYZJIZMRV-UHFFFAOYSA-N,2,1,0.542,75,276,414.429,1.897,5,0.451,0.58,1.0,0.47390514700842984,0.215132615996162,0.24320642862038241,0.1894832430950586,0.2804318586800082
EOS-2-40315,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)n1,RGTIIYMZDPNBEK-UHFFFAOYSA-N,2,1,0.5,89,250,414.429,2.053,5,0.449,0.77,1.0,0.5060910835446508,0.24590500993763278,0.22179768350352957,0.17843191008155712,0.28805642176684254
EOS-2-40316,CCc1ccc(COc2cncc3nnc(-c4ccnc(-c5noc(C)n5)c4)n23)nc1,PPAQARORICJHSL-UHFFFAOYSA-N,2,1,0.506,7,420,414.429,3.081,5,0.413,0.75,1.0,0.26790487286683573,0.2254900280995134,0.1055445137413474,0.06119354396545816,0.16503323966828867
EOS-2-40317,COc1cc(-c2nnc3cncc(OCc4ccnnc4)n23)ccc1-c1cnn(C)c1,SIHJRWJQECQKNO-UHFFFAOYSA-N,2,1,0.471,92,375,414.429,2.569,5,0.417,0.73,1.0,0.40388767048180385,0.19137653347954217,0.44900109656637655,0.2740216571859365,0.3295717394284148
EOS-2-40318,COc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1ncon1,LHKZIYHRZGVFMM-UHFFFAOYSA-N,2,1,0.726,91,309,414.425,3.471,5,0.399,0.71,1.0,0.6639709409910218,0.28170618874648756,0.40169453772873687,0.2980861489959564,0.41136445411555067
EOS-2-40319,COc1nc(-c2nnc3cncc(OCCc4ccoc4)n23)ccc1-c1ccccn1,RMSXZSKHDVXLBB-UHFFFAOYSA-N,2,1,0.5,49,501,414.425,3.471,5,0.399,0.59,1.0,0.48609588102254814,0.1429905421150024,0.25741038996641763,0.1755362894935234,0.2655082756493729
EOS-2-40320,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cocn1,SXNIGWFYGMWBFP-UHFFFAOYSA-N,2,1,0.58,35,777,414.425,3.471,5,0.399,0.74,1.0,0.5344047700637379,0.24086765814543212,0.5012336371736001,0.35189500376944693,0.40710026728805426
EOS-2-40321,COc1cc(-c2nnc3cncc(OCc4cccc(C)n4)n23)ccc1-c1cocn1,CKMGQNFIPTWRCM-UHFFFAOYSA-N,2,1,0.539,1,61,414.425,3.737,5,0.414,0.77,1.0,0.4268727297649236,0.20527208553217738,0.4595726817901446,0.280121307655404,0.34295970118566244
EOS-2-40322,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccc5)c4)n23)cc1,CXUAHSIOKXNBCK-UHFFFAOYSA-N,2,1,0.729,83,23,414.415,5.316,5,0.391,0.84,1.0,0.987389486669865,0.9769549722431636,0.964798505928312,0.9694246453293126,0.9746419025426634
EOS-2-40323,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5)n34)c2)cc1F,WPLSROAIFVCSAX-UHFFFAOYSA-N,2,1,0.627,79,650,414.415,5.316,5,0.391,0.78,1.0,0.9345229936262079,0.9299396888492907,0.9652268521691454,0.9668974025083956,0.94914673428826
EOS-2-40324,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)c(F)c4)n23)cc1,JGSVAYBOKVXRNX-UHFFFAOYSA-N,2,1,0.765,83,23,414.415,5.316,5,0.391,0.86,1.0,0.9916900829278322,0.9801590021245974,0.9648070728531286,0.9688677952162292,0.9763809882804468
EOS-2-40325,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccccc5)n34)ccc2F)cc1,SWIZVTGCXZGJMZ-UHFFFAOYSA-N,2,1,0.704,83,23,414.415,5.316,5,0.391,0.86,1.0,0.9775546569803304,0.9552977863066274,0.9642930573641286,0.9674371187718457,0.966145654855733
EOS-2-40326,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5F)n34)c2)cc1,NEJVBKDQAINISE-UHFFFAOYSA-N,2,1,0.627,57,23,414.415,5.316,5,0.391,0.86,1.0,0.9600695634295113,0.9478359947913098,0.9656209307107121,0.9708895894729628,0.961104019601124
EOS-2-40327,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,BSRIIHXLCMNMDL-UHFFFAOYSA-N,2,1,0.622,12,23,414.415,5.316,5,0.391,0.8,1.0,0.9806815845384141,0.9633592625591118,0.9643016242889453,0.9679511342608458,0.9690734014118293
EOS-2-40328,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5F)n34)cc2)cc1,XYMOXBOCVTZHFD-UHFFFAOYSA-N,2,1,0.686,83,23,414.415,5.316,5,0.391,0.86,1.0,0.9873980535946817,0.9787711603042971,0.968096771982729,0.9721574943458297,0.9766058700568844
EOS-2-40329,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1F,AIQWBQHSTGVYJC-UHFFFAOYSA-N,2,1,0.622,12,650,414.415,5.316,5,0.391,0.83,1.0,0.9828832842162977,0.9665461585909122,0.965235419093962,0.9669059694332123,0.9703927078335961
EOS-2-40330,Fc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,HGYYUZFXDUDWNB-UHFFFAOYSA-N,2,1,0.611,12,650,414.415,5.316,5,0.391,0.81,1.0,0.9784456171612638,0.9615773421972449,0.9592642724967446,0.9638475772736619,0.9657837022822289
EOS-2-40331,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2)cc1,VPXRPZQDZMIAOJ-UHFFFAOYSA-N,2,1,0.761,83,23,414.415,5.316,5,0.391,0.86,1.0,0.9885288876704817,0.9769635391679803,0.9676255911178123,0.9721660612706463,0.9763210198067303
EOS-2-40332,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1F,BZQNNNPRZXRZAW-UHFFFAOYSA-N,2,1,0.815,12,650,414.415,5.316,5,0.391,0.83,1.0,0.9905421150023987,0.97485607566308,0.9681053389075458,0.9688763621410459,0.9755949729285176
EOS-2-40333,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)cc5)c4)n23)cc1,DYNIARRETJGKCX-UHFFFAOYSA-N,2,1,0.7,57,23,414.415,5.316,5,0.391,0.89,1.0,0.9662291823726955,0.9404084709752587,0.967634158042629,0.972174628195463,0.9616116098965116
EOS-2-40335,c1nnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccsc6)o5)n34)cc2)o1,YBBYRRBTSUGDTQ-UHFFFAOYSA-N,2,1,0.315,98,63,414.41,3.62,6,0.426,0.7,1.0,0.15832533753683778,0.1505979713522034,0.15197724624768694,0.1784404770063738,0.15983525803577547
EOS-2-40336,Cc1ncncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cn1,BVWCSESLGFQYQZ-UHFFFAOYSA-N,2,1,0.494,55,879,414.404,3.065,5,0.404,0.77,1.0,0.7721969021999863,0.6735830306353231,0.5012422040984168,0.4092676992666712,0.5890724590500993
EOS-2-40337,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nc2)nn1,FEZVKTLJENTUAV-UHFFFAOYSA-N,2,1,0.522,54,88,414.404,2.799,5,0.418,0.72,0.996,0.6792457679391406,0.6544530875197039,0.29064149133027206,0.28323110136385443,0.47689286203824277
EOS-2-40338,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cn4)n23)cn1,XWZRLMQXBIZJQC-UHFFFAOYSA-N,2,1,0.451,18,773,414.404,2.799,5,0.391,0.67,1.0,0.7891594133369886,0.7216606127064629,0.43842951134260844,0.3936501953258858,0.5857249331779865
EOS-2-40339,Cc1ncc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)c(-c2ccccn2)n1,GOJNHLCAYKJMGV-UHFFFAOYSA-N,2,1,0.558,24,786,414.404,3.065,5,0.432,0.66,0.997,0.619739908162566,0.6206051675690494,0.2612055376602015,0.2564937290110342,0.4395110856007127
EOS-2-40340,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)nc2)cn1,MPXQBTFHCFYPNZ-UHFFFAOYSA-N,2,1,0.429,87,529,414.404,2.799,5,0.391,0.67,1.0,0.6084230004797478,0.6589507230484545,0.35337708176273047,0.3618669042560482,0.49565442738674526
EOS-2-40341,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cn2)cn1,WLJONAVVZUZORH-UHFFFAOYSA-N,2,1,0.512,51,282,414.404,3.065,5,0.432,0.74,1.0,0.6252398738948667,0.6883352751696251,0.44554005894044274,0.3682406963196491,0.5318389760811459
EOS-2-40342,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)cn1,PTCQRYNDYFOHPS-UHFFFAOYSA-N,2,1,0.424,18,840,414.404,2.799,5,0.391,0.7,1.0,0.6762730450277569,0.5969690219998629,0.47361387156466317,0.4567198958261942,0.5508939586046193
EOS-2-40343,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cn2)n1,OVAXTVNXFNDTOA-UHFFFAOYSA-N,2,1,0.444,55,283,414.404,3.065,5,0.404,0.61,1.0,0.7518675896100336,0.6981187033102597,0.45624014803646085,0.3840124049071345,0.5725597114659722
EOS-2-40344,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)c1,GKAFOZPJVOXDTD-UHFFFAOYSA-N,2,1,0.457,54,411,414.404,2.799,5,0.418,0.76,0.79,0.6729919128229731,0.6110958810225482,0.2432149955451991,0.2801298745802207,0.4518581659927353
EOS-2-40345,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)nn1,UJQDHAGBMWNYAS-UHFFFAOYSA-N,2,1,0.506,24,583,414.404,2.799,5,0.418,0.6,1.0,0.6821756562264409,0.6161846343636488,0.26121410458501815,0.2683931875813858,0.4569918956891234
EOS-2-40346,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2)cn1,SDGZDTJSLUNREZ-UHFFFAOYSA-N,2,1,0.466,54,411,414.404,2.799,5,0.391,0.71,0.999,0.80057055719279,0.6833578918511412,0.3681892947707491,0.37464875608251663,0.5566916249742991
EOS-2-40347,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)nn1,GYGRVZXYEZBPOR-UHFFFAOYSA-N,2,1,0.494,72,418,414.404,3.065,5,0.432,0.66,1.0,0.5824309505859776,0.6014409567541635,0.3681978616955658,0.32937255842642726,0.4703605818655336
EOS-2-40348,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)nn1,HWBVRWZRDMDQMX-UHFFFAOYSA-N,2,1,0.488,54,411,414.404,2.799,5,0.418,0.81,1.0,0.6252484408196833,0.629694674799534,0.2795901583167706,0.33901034884517856,0.4683859056952916
EOS-2-40349,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnccc5F)n34)ccn2)cn1,CKYOYWGJTPECQS-UHFFFAOYSA-N,2,1,0.471,51,441,414.404,3.065,5,0.432,0.66,1.0,0.8087262696182578,0.6249657323007334,0.532314440408471,0.447467617024193,0.6033685148379138
EOS-2-40350,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cn1,NZUXPRMMODCFRB-UHFFFAOYSA-N,2,1,0.566,72,889,414.404,2.799,5,0.391,0.68,1.0,0.9505260091837434,0.8985076416969364,0.5190871084915358,0.48135837159893086,0.7123697827427867
EOS-2-40351,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)nn1,SACVQRANQQWKIG-UHFFFAOYSA-N,2,1,0.53,72,628,414.404,2.799,5,0.418,0.61,1.0,0.8437392913439792,0.8450671646905626,0.43843807826742515,0.4221095195668563,0.6373385134672058
EOS-2-40352,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(F)cn5)nn4)n23)cc1,WITYYVRCZUHESM-UHFFFAOYSA-N,2,1,0.506,4,32,414.404,3.065,5,0.432,0.74,1.0,0.7919779316016723,0.7357532040298814,0.30517956274415736,0.32295593173874304,0.5389666575286135
EOS-2-40353,Cc1ccncc1COc1cncc2nnc(-c3ccnc(-c4cnc(F)cn4)c3)n12,SLMFFVKOWIICBO-UHFFFAOYSA-N,2,1,0.455,75,99,414.404,3.065,5,0.432,0.61,1.0,0.6970564046329929,0.5969775889246796,0.4769635391679803,0.3936587622507025,0.5411640737440888
EOS-2-40354,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c1,XNMBMKGOSXXMKD-UHFFFAOYSA-N,2,1,0.484,54,411,414.404,2.799,5,0.418,0.79,0.988,0.6639795079158385,0.6491758618326365,0.305188129668974,0.3390189157699952,0.48934060379686106
EOS-2-40355,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)nc1,ZMSRBNCNDDDDPA-UHFFFAOYSA-N,2,1,0.537,2,491,414.404,2.799,5,0.418,0.74,1.0,0.8270166541018436,0.6883438420944418,0.3533856486875471,0.33902748269481187,0.551943406894661
EOS-2-40356,Cc1cccnc1COc1cncc2nnc(-c3ccc(-c4cnccc4F)nn3)n12,OFXUAGSMIGFDSP-UHFFFAOYSA-N,2,1,0.444,54,411,414.404,3.065,5,0.432,0.64,1.0,0.5212973750942361,0.5029812898362004,0.3418460009594956,0.3390360496196285,0.4262901788773902
EOS-2-40357,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2)cn1,FEJDXDOKPWOKNY-UHFFFAOYSA-N,2,1,0.528,54,411,414.404,2.799,5,0.391,0.7,0.985,0.6574515112055377,0.6442156123637859,0.2941796312795559,0.3076468370913577,0.4758733979850593
EOS-2-40358,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nc2)cn1,OTZLXBGQTNFTTB-UHFFFAOYSA-N,2,1,0.534,87,367,414.404,2.799,5,0.391,0.75,1.0,0.6792543348639573,0.6784833116304572,0.3496676033171133,0.31080803234870813,0.504553320540059
EOS-2-40359,Fc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cncnc1,CURBMRRPFTVIMV-UHFFFAOYSA-N,2,1,0.516,87,814,414.404,2.799,5,0.391,0.62,1.0,0.6940922486464258,0.6491844287574532,0.3533942156123638,0.3422143787266123,0.5097213179357138
EOS-2-40360,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)nc1,NSFHWOICNAIQRV-UHFFFAOYSA-N,2,1,0.462,87,367,414.404,2.799,5,0.418,0.71,1.0,0.6397351106846686,0.6638081694195052,0.4159327667740388,0.40277397025563705,0.5305625042834624
EOS-2-40361,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cn1,NTFLVOCKJYUVFT-UHFFFAOYSA-N,2,1,0.466,54,411,414.404,2.799,5,0.391,0.71,1.0,0.8005791241176068,0.6883524090192584,0.36455691864848194,0.3682492632444658,0.5554344287574533
EOS-2-40362,Cc1ccc(-c2nc(COc3cncc4nnc(-c5ccccc5)n34)ncc2F)nn1,ROJREXQSFVKFRI-UHFFFAOYSA-N,2,1,0.483,4,700,414.404,3.065,5,0.432,0.76,0.967,0.7217462819546295,0.6735915975601399,0.17740387910355698,0.19473476800767597,0.44186913165650066
EOS-2-40363,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nc1,XBNMIXOYOMXFRV-UHFFFAOYSA-N,2,1,0.5,54,411,414.404,2.799,5,0.418,0.75,0.992,0.6607754780344047,0.6491929956822698,0.30151291892262355,0.3261256939209102,0.48440177164005205
EOS-2-40364,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2)c1,NDZNYKTURVYAFC-UHFFFAOYSA-N,2,1,0.511,54,411,414.404,2.799,5,0.418,0.73,0.79,0.6701648276334727,0.6062298677266809,0.28716331985470495,0.3169762182167089,0.4701335583578919
EOS-2-40365,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)nn3)n12,YZBXYYPRTHVWIH-UHFFFAOYSA-N,2,1,0.457,54,411,414.404,2.799,5,0.418,0.74,1.0,0.6170156260708656,0.6392810636693852,0.2612226715098348,0.2980947159207731,0.45390351929271466
EOS-2-40366,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)cn1,LXZORLFZKPCNPN-UHFFFAOYSA-N,2,1,0.59,75,530,414.404,2.799,5,0.418,0.68,1.0,0.7518761565348503,0.6833664587759578,0.41594133369885544,0.37799842368583375,0.5572955931738743
EOS-2-40367,Fc1ccc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1cncnc1,HUBNBTCKLFWAOO-UHFFFAOYSA-N,2,1,0.595,65,361,414.404,2.799,5,0.418,0.65,1.0,0.9454029881433761,0.9390805976286752,0.5691864848194093,0.5532520046604071,0.7517305188129669
EOS-2-40368,Cc1ncc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccn5)n4)n23)cn1,GDHQOLMPYVAAQS-UHFFFAOYSA-N,2,1,0.529,24,786,414.404,3.065,5,0.432,0.72,0.979,0.6140086354602152,0.5875625385511617,0.3051966965937907,0.2654632992940854,0.44305779247481325
EOS-2-40369,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnncn5)n34)cn2)ccc1F,OPERZHIPIPWUFK-UHFFFAOYSA-N,2,1,0.424,4,677,414.404,3.065,5,0.432,0.69,1.0,0.6197484750873826,0.6492015626070866,0.5561047906243575,0.5098091289150847,0.5837159893084778
EOS-2-40370,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nn4)n23)n1,UKERORYWQXXZGG-UHFFFAOYSA-N,2,1,0.461,54,670,414.404,3.065,5,0.432,0.78,0.993,0.5160544171064355,0.4890172023850319,0.35340278253718044,0.3293811253512439,0.42196388184497297
EOS-2-40371,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)nc2)c1,ZCXKDGGSGPZWBD-UHFFFAOYSA-N,2,1,0.419,87,529,414.404,2.799,5,0.418,0.76,1.0,0.6336611609896512,0.6347662942910013,0.34967617024193,0.3780069906106504,0.49902765403330823
EOS-2-40372,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnn5)n4)n23)ccn1,XNZKSGSQTRJBKO-UHFFFAOYSA-N,2,1,0.547,4,677,414.404,3.065,5,0.432,0.69,0.987,0.5547597834281406,0.5393221849085053,0.3645654855732986,0.32296449866355975,0.44540298814337603
EOS-2-40373,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnn5)n34)ncn2)cc1,XJPJATVIYJOUFI-UHFFFAOYSA-N,2,1,0.451,44,130,414.404,2.799,5,0.418,0.79,1.0,0.6252570077445,0.5922914810499623,0.3235042149270098,0.3746573230073333,0.47892750668220135
EOS-2-40374,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)cn1,IHBPWYNBUCNVGX-UHFFFAOYSA-N,2,1,0.542,75,496,414.404,2.799,5,0.391,0.69,1.0,0.8137379206360085,0.7262781851826469,0.504617572476184,0.4503718045370434,0.6237513707079706
EOS-2-40375,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnc(F)nc5)c4)n23)n1,LFBCCLFZBLKAMW-UHFFFAOYSA-N,2,1,0.529,75,43,414.404,3.065,5,0.404,0.76,1.0,0.5630011651017751,0.5075902953875677,0.42715543828387365,0.32613426084572683,0.45597028990473587
EOS-2-40376,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)cn1,RVRMONHHLOZXDD-UHFFFAOYSA-N,2,1,0.446,18,88,414.404,2.799,5,0.391,0.67,1.0,0.6851997806867247,0.5347817147556713,0.40877938455212115,0.39077170858748544,0.5048831471455006
EOS-2-40377,Fc1cnc(-c2ncccc2-c2nnc3cncc(OCCc4cccnc4)n23)nc1,ONWVBYRHGVIPFH-UHFFFAOYSA-N,2,1,0.536,65,262,414.404,2.799,5,0.418,0.66,1.0,0.8243095058597766,0.7310499623055308,0.22510451648276333,0.2444657665684326,0.5062324378041259
EOS-2-40378,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ccn2)cn1,WGIRTGVWKXFTCU-UHFFFAOYSA-N,2,1,0.477,51,441,414.404,3.065,5,0.432,0.75,1.0,0.8162480296072921,0.6392896305942019,0.5356812418614214,0.44406654787197586,0.6088213624837229
EOS-2-40379,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)nc1,MBHLXOFLJFZLKB-UHFFFAOYSA-N,2,1,0.424,18,181,414.404,2.799,5,0.418,0.66,1.0,0.5547683503529574,0.4985864574052498,0.24674456856966623,0.26840175450620246,0.392125282708519
EOS-2-40380,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)cn1,IWJOZUGRQYWEOI-UHFFFAOYSA-N,2,1,0.424,18,840,414.404,2.799,5,0.391,0.69,1.0,0.7031731889520938,0.6161932012884654,0.4562487149612775,0.44090535261462543,0.5541301144541155
EOS-2-40381,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)c1,LJWYQOINFNEYHP-UHFFFAOYSA-N,2,1,0.43,18,840,414.404,2.799,5,0.418,0.67,1.0,0.7186621890206292,0.562744157357275,0.4490096634911932,0.4536700705914605,0.5460215201151395
EOS-2-40382,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cn1,JEIBUPOMVJKZQV-UHFFFAOYSA-N,2,1,0.461,18,215,414.404,2.799,5,0.391,0.72,1.0,0.7636385443081352,0.7171886779521623,0.4840655198409979,0.44407511479679257,0.602241964224522
EOS-2-40383,Cc1ccc(-c2cnc(COc3cncc4nnc(-c5ccccc5F)n34)cn2)nn1,SYLNXAVSNUDDJS-UHFFFAOYSA-N,2,1,0.512,4,820,414.404,3.065,5,0.432,0.67,1.0,0.5470238503186896,0.6492101295319033,0.3271280241244603,0.3229730655883764,0.46158376739085744
EOS-2-40384,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)c(F)cn4)n23)cn1,ZDBMHHFSMMFQRE-UHFFFAOYSA-N,2,1,0.5,2,817,414.404,3.065,5,0.432,0.67,1.0,0.6514375299842369,0.7031217874031938,0.5591888835583579,0.4723888013158796,0.596534250565417
EOS-2-40385,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccncn4)ccn3)n12,UUJKWLBZSHMCSD-UHFFFAOYSA-N,2,1,0.478,18,181,414.404,2.799,5,0.418,0.63,1.0,0.6607840449592214,0.5257950106229867,0.46321362483722844,0.43153313686519085,0.5203314543211569
EOS-2-40386,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)cn1,AYPCMKFSYIWOKA-UHFFFAOYSA-N,2,1,0.506,58,981,414.404,2.799,5,0.391,0.67,1.0,0.8366544445205949,0.854627852785964,0.44199335206634227,0.39366732917551917,0.631735744637105
EOS-2-40387,Fc1nccnc1-c1cncc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,MNHWOJKWPSWPPZ-UHFFFAOYSA-N,2,1,0.524,65,858,414.404,2.799,5,0.418,0.71,1.0,0.7186707559454458,0.6883609759440751,0.41594990062367215,0.3840209718319512,0.5517506510862861
EOS-2-40388,Fc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)n1,NZXVDLIHIUKOLC-UHFFFAOYSA-N,2,1,0.511,75,420,414.404,2.799,5,0.391,0.64,1.0,0.7722054691248029,0.6736001644849565,0.2646323075868686,0.2532896991296004,0.4909319100815571
EOS-2-40389,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)nc2)cn1,PYEODAAFVYZJQV-UHFFFAOYSA-N,2,1,0.432,18,529,414.404,2.799,5,0.391,0.8,1.0,0.6336697279144679,0.6687769858131725,0.3760622986772668,0.3649852648893153,0.5108735693235557
EOS-2-40390,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cn2)n1,QSIFAAKVELLCNK-UHFFFAOYSA-N,2,1,0.506,7,85,414.404,3.065,5,0.432,0.67,1.0,0.6170241929956822,0.6442241792886025,0.39082311013638543,0.33904461654444523,0.4977790247412789
EOS-2-40391,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cn2)cn1,VMXNHYXYWPFTFG-UHFFFAOYSA-N,2,1,0.455,55,283,414.404,3.065,5,0.404,0.68,1.0,0.7366955657597148,0.717197244876979,0.4667603317113289,0.38108251661983417,0.5754339147419643
EOS-2-40392,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)n1,MRLDONDWDKPMON-UHFFFAOYSA-N,2,1,0.466,72,22,414.404,3.065,5,0.432,0.72,1.0,0.8137464875608251,0.7262867521074635,0.3381879240627784,0.2948906860393393,0.5432779624426015
EOS-2-40393,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)nc1,ALDVPCKWGBPGIY-UHFFFAOYSA-N,2,1,0.551,65,263,414.404,2.799,5,0.418,0.73,1.0,0.8788636830923172,0.8546364197107806,0.3087091357686245,0.2919607977520389,0.5835425090809404
EOS-2-40394,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnn5)n34)cnn2)cc1,XOPYINABIIPSBR-UHFFFAOYSA-N,2,1,0.506,72,482,414.404,2.799,5,0.418,0.63,1.0,0.654478788294154,0.7793331505722706,0.36457405249811525,0.42211808649167293,0.5551260194640533
EOS-2-40395,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)c1,TXNIIOZQNKODQC-UHFFFAOYSA-N,2,1,0.505,65,822,414.404,2.799,5,0.418,0.75,1.0,0.7278544993489137,0.8045884449318073,0.37607086560208347,0.37140189157699954,0.569978925364951
EOS-2-40396,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c1,NMJIUPDVLTXFCA-UHFFFAOYSA-N,2,1,0.505,87,304,414.404,2.799,5,0.418,0.71,1.0,0.7636471112329518,0.8199318072784594,0.38360975944075115,0.364993831814132,0.5830456274415735
EOS-2-40397,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cn1,MITMFGQNWYPXID-UHFFFAOYSA-N,2,1,0.537,65,324,414.404,2.799,5,0.391,0.73,1.0,0.8270252210266603,0.8665273113563156,0.4271640052086903,0.3810910835446508,0.6254519052840792
EOS-2-40398,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ccn2)cn1,NQBFUBFDQLBUAU-UHFFFAOYSA-N,2,1,0.506,75,361,414.404,2.799,5,0.391,0.72,1.0,0.8684377355904325,0.7922263724213556,0.4702556370365294,0.44091391953944215,0.6429584161469399
EOS-2-40399,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnccn5)n4)n23)c(F)c1,HLHBPRGEEOCYSJ-UHFFFAOYSA-N,2,1,0.471,7,540,414.404,3.065,5,0.432,0.71,1.0,0.6397436776094853,0.74935748063875,0.42717257213350696,0.3966143513124529,0.5532220204235487
EOS-2-40400,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4F)n23)nn1,LHBJKDYMRDAZIT-UHFFFAOYSA-N,2,1,0.494,4,534,414.404,3.065,5,0.432,0.76,1.0,0.6514460969090535,0.6883695428688917,0.4236515660338565,0.3840295387567679,0.5368741861421424
EOS-2-40401,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccncn5)n4)n23)cn1,AAIQALHYCYZJSE-UHFFFAOYSA-N,2,1,0.494,4,390,414.404,3.065,5,0.432,0.73,1.0,0.6514546638338702,0.6833750257007745,0.4017031046535536,0.3360633267082448,0.5181490302241107
EOS-2-40402,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)cn1,TXZAXIPWZPQKDE-UHFFFAOYSA-N,2,1,0.477,54,207,414.404,3.065,5,0.432,0.74,1.0,0.6170327599204989,0.5393307518333219,0.497652662600233,0.4692361729833459,0.5308130868343499
EOS-2-40403,Fc1cnccc1-c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ncn1,WQFKLLKTVTYEJV-UHFFFAOYSA-N,2,1,0.457,18,194,414.404,2.799,5,0.418,0.71,0.973,0.7064371873072441,0.502989856761017,0.4196251113700226,0.4156157905558221,0.5111669864985265
EOS-2-40404,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cn2)cn1,OQHXCXQNTOPVHA-UHFFFAOYSA-N,2,1,0.457,87,795,414.404,2.799,5,0.391,0.75,1.0,0.7367041326845316,0.8045970118566239,0.2980261805222397,0.294899252964156,0.5335566445068878
EOS-2-40405,Oc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(F)c5)n34)c2)cc1,FIABIOBMQVDADR-UHFFFAOYSA-N,2,1,0.422,97,160,414.4,3.672,5,0.468,0.71,1.0,0.7217548488794462,0.5347902816804879,0.7471900486601329,0.7214721403604962,0.6813018298951408
EOS-2-40406,Oc1cccnc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3F)n12,MAASBFVOSHLCLG-UHFFFAOYSA-N,2,1,0.529,97,666,414.4,3.672,5,0.468,0.75,1.0,0.7154324583647453,0.7172058118017957,0.6370450962922349,0.597457336714413,0.6667851757932972
EOS-2-40407,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)cc2)n[nH]1,XWQYJKAQMVEORL-UHFFFAOYSA-N,2,1,0.63,43,709,414.4,3.26,5,0.474,0.85,1.0,0.9367418271537249,0.7357617709546981,0.7658231101363855,0.7480124734425331,0.7965847954218355
EOS-2-40408,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cc2)nc1,UDECTJLLHCFTTC-UHFFFAOYSA-N,2,1,0.541,1,22,414.4,3.672,5,0.468,0.7,1.0,0.7488862997738331,0.6833835926255911,0.7161863477486121,0.6621547529298882,0.7026527482694812
EOS-2-40409,Oc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)c1,WSGMYPVSVLIPEE-UHFFFAOYSA-N,2,1,0.506,43,613,414.4,3.672,5,0.468,0.67,1.0,0.8483482968953464,0.7450568843807827,0.7267836337468302,0.6855767253786581,0.7514413851004044
EOS-2-40410,Oc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(F)c5)c4)n23)cc1,CVDYHBBXALTXCS-UHFFFAOYSA-N,2,1,0.506,97,91,414.4,3.672,5,0.438,0.7,1.0,0.9435525323829758,0.7709204304023027,0.8091546158590912,0.7530326913851004,0.8191650675073675
EOS-2-40411,Oc1cc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1ccccn1,VLXJQRYKDFDWAT-UHFFFAOYSA-N,2,1,0.595,97,850,414.4,3.672,5,0.468,0.6,1.0,0.7367126996093483,0.6930899184428757,0.6930470838187924,0.6533993557672538,0.6940622644095675
EOS-2-40412,OCc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(F)cc5)nn4)n23)cc1,MRUIJQUQEYQHOP-UHFFFAOYSA-N,2,1,0.468,43,417,414.4,3.672,5,0.468,0.89,1.0,0.9081368651908711,0.8609502433006648,0.792346309368789,0.7607943252690015,0.8305569357823317
EOS-2-40413,COc1cc(-c2nnc3cncc(Oc4cccc(F)c4)n23)ccc1-c1ccnnc1,QKPPGGUTTPWFGW-UHFFFAOYSA-N,2,1,0.633,13,209,414.4,4.188,5,0.426,0.72,1.0,0.7248475087382633,0.7493660475635666,0.8258686861764101,0.7608028921938181,0.7652212836680146
EOS-2-40414,Oc1cc(-c2nnc3cncc(OCc4cncc(F)n4)n23)ccc1-c1ccccc1,ISHQLNZFPRDOEF-UHFFFAOYSA-N,2,1,0.466,1,700,414.4,3.672,5,0.468,0.69,1.0,0.7605116167500514,0.7310585292303474,0.6605441710643547,0.644883832499486,0.6992495373860598
EOS-2-40415,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4cnc(C#N)n4C)nc3)n12,FGOHHFZYWGOOSN-UHFFFAOYSA-N,2,1,0.372,92,105,414.393,0.561,5,0.399,0.67,1.0,0.30557364128572406,0.32726509492152694,0.012173600164484957,0.009063806456034542,0.16351903570694262
EOS-2-40416,Cn1nc(-c2nnc3cncc(OCc4ncnn4C)n23)cc1-c1cnc(C#N)nc1,RKOKXIZUBKKWLL-UHFFFAOYSA-N,2,1,0.337,92,105,414.393,0.561,5,0.399,0.65,1.0,0.20544342402851073,0.14299910903981908,0.016508464121718868,0.009337948050167912,0.09357223631005415
EOS-2-40417,COc1nc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1cnncn1,FPDNQEDRKWKFED-UHFFFAOYSA-N,2,1,0.406,53,587,414.389,1.416,5,0.398,0.61,1.0,0.34068946610924544,0.14668288671098623,0.06803851689397573,0.03827702008087177,0.14842197244876978
EOS-2-40418,COc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncccn5)n4)n23)cn1,GQWNUWWNTAGPMW-UHFFFAOYSA-N,2,1,0.415,7,185,414.389,1.416,5,0.398,0.6,1.0,0.41290864231375507,0.2817147556713042,0.03137207867863752,0.015968747858268795,0.18549105613049144
EOS-2-40419,COc1cccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,RGKMOJLAZXIRBK-UHFFFAOYSA-N,2,1,0.822,48,40,414.387,4.44,4,0.467,0.82,1.0,0.9955023644712494,0.9893427455280652,0.9891799739565486,0.9583733123158111,0.9830995990679186
EOS-2-40420,Cn1nc(-c2cccnc2)cc1Oc1cncc2nnc(-c3ccc([N+](=O)[O-])cc3)n12,QLLTZUYAHDIZKO-UHFFFAOYSA-N,2,1,0.488,72,412,414.385,3.287,5,0.317,0.78,1.0,0.44748475087382633,0.19603694057980947,0.25741895689123434,0.09143478856829552,0.2480938592282914
EOS-2-40421,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C#N)o5)n34)cn2)no1,HBLZVAKYTIBRSK-UHFFFAOYSA-N,2,1,0.478,87,510,414.385,2.631,5,0.407,0.73,1.0,0.6084315674045645,0.5393393187581386,0.15482146528682064,0.12418614214241656,0.35669462339798513
EOS-2-40422,N#Cc1ccc(-c2nnc3cncc(-c4cnn(Cc5ccc(F)c(F)c5)n4)n23)cc1,PPEHZXMSJNRMNU-UHFFFAOYSA-N,2,1,0.477,22,331,414.379,3.248,5,0.448,0.77,1.0,0.36364882461791515,0.5212802412446028,0.8069272154067576,0.8509783428140635,0.6357086560208347
EOS-2-40423,CCn1cnnc1-c1ccc(-c2nnc3cncc(OC4COCC4(F)F)n23)nc1,NXCCOUYFUIAMPN-UHFFFAOYSA-N,2,1,0.394,68,457,414.376,1.878,5,0.487,0.52,0.997,0.46387327804811185,0.4088307861010212,0.4271811390583236,0.3714104585018162,0.4178239154273182
EOS-2-40424,FCc1nnc(-c2ccc(-c3nnc4cncc(-c5csc(F)c5)n34)cc2F)o1,NKFZKJTUTKKXEG-UHFFFAOYSA-N,2,1,0.359,22,844,414.372,4.318,5,0.436,0.67,1.0,0.3544907819888973,0.5029984236858337,0.6432818175587691,0.7023764649441436,0.5507868720444109
EOS-2-40425,N#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c(F)c1,QJOINUMPVNXFNO-UHFFFAOYSA-N,2,1,0.417,7,185,414.364,1.956,5,0.456,0.6,1.0,0.6029401685970804,0.6347748612158179,0.379823178671784,0.3582602289082311,0.4939496093482284
EOS-2-40426,N#Cc1ncccc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3F)n12,YWSHYTQHGVEAOZ-UHFFFAOYSA-N,2,1,0.473,36,6,414.364,1.956,5,0.456,0.75,1.0,0.8217565622644095,0.7922349393461723,0.4420019189911589,0.4187684188883558,0.6186904598725242
EOS-2-40427,Fc1cnc(COc2cncc3nnc(-c4cnc(-c5nn[nH]n5)s4)n23)cc1F,OCSHBUYXLWDSBM-UHFFFAOYSA-N,2,1,0.467,92,185,414.361,1.68,5,0.456,0.55,1.0,0.4221352203413063,0.3898721814817353,0.10555308066616408,0.1569117949420876,0.26861806935782334
EOS-2-40428,COc1nc(-c2nnc3cncc(-c4ccc(C#N)cc4F)n23)ccc1-c1ncon1,ZHWYGMMLWHULJO-UHFFFAOYSA-N,2,1,0.337,50,896,414.36,2.923,5,0.436,0.6,0.987,0.5630097320265918,0.48432252758549793,0.4909276266191488,0.46614351312452884,0.5011008498389419
EOS-2-40429,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nn5)no4)n23)cc1,YMPZVSHXIUQYAY-UHFFFAOYSA-N,2,1,0.529,89,389,414.36,2.826,5,0.426,0.66,1.0,0.9275152491261737,0.8450757316153793,0.5459358508669728,0.5337022822287711,0.7130572784593243
EOS-2-40430,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)cn1,IGNYVXGJRGPTFH-UHFFFAOYSA-N,2,1,0.535,72,214,414.36,2.826,5,0.426,0.73,1.0,0.8189637447741759,0.766816873415119,0.6546843944897539,0.5882735933109451,0.7071846514974984
EOS-2-40431,Clc1ccc(-c2nnc3cncc(Oc4cc(Oc5ccc(Cl)c(Cl)c5)ncn4)n23)cc1,ANMZIYYOYQNUQD-UHFFFAOYSA-N,2,1,0.623,13,417,485.718,6.126,5,0.296,0.76,1.0,0.9367503940785415,0.9531903228017271,0.9349941744911247,0.9532160235761771,0.9445377287368926
EOS-2-40432,Clc1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)n1,NXDRXONDMHVGPQ-UHFFFAOYSA-N,2,1,0.429,55,434,485.722,4.578,5,0.263,0.73,0.995,0.6453807141388527,0.8609588102254815,0.6874957165375917,0.7709803988760194,0.7412039099444864
EOS-2-40433,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)n5)cn4)n23)c(Cl)c1,AGNZMCJJDLHYLV-UHFFFAOYSA-N,2,1,0.523,73,212,485.722,4.578,5,0.356,0.59,1.0,0.642510794325269,0.8962459735453362,0.6712613940100062,0.7965612363785896,0.7516448495648003
EOS-2-40434,COc1nc(-c2cnc(Cl)cn2)ncc1-c1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,STWYDPQWGKTILK-UHFFFAOYSA-N,2,1,0.394,73,575,485.722,4.674,5,0.361,0.66,1.0,0.5293588513467206,0.6736087314097732,0.5691950517442259,0.704869440065794,0.6192580186416284
EOS-2-40435,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(Cl)nc(Cl)n5)cn4)n23)cc1,GXMVLMXAMUYPRN-UHFFFAOYSA-N,2,1,0.549,73,335,485.722,4.578,5,0.263,0.77,1.0,0.904967103008704,0.9561973134123775,0.6307826742512508,0.7453995613734494,0.8093366630114455
EOS-2-40436,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cnc2Cl)cn1,LDLFEEFLPYPEEH-UHFFFAOYSA-N,2,1,0.449,4,208,485.722,4.578,5,0.333,0.65,1.0,0.6336782948392845,0.8162051949832089,0.7292937427181139,0.8200346103762594,0.7498029607292167
EOS-2-40437,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)c(Cl)c5)nc4)n23)cn1,XMEQGVYQMOTFAF-UHFFFAOYSA-N,2,1,0.456,55,94,485.722,4.578,5,0.333,0.72,1.0,0.622472757179083,0.8002278802001234,0.7241964224521965,0.8008789664861902,0.7369440065793983
EOS-2-40438,Cn1nc(-c2nnc3cncc(C(O)c4ccc(Cl)cc4Cl)n23)cc1-c1ccc(Cl)cc1,WQIDPRZXDPXMRQ-UHFFFAOYSA-N,2,1,0.333,45,266,485.762,5.234,5,0.377,0.62,0.943,0.202676307312727,0.40883935302583785,0.9583647453909945,0.9770406414913303,0.6367302618052224
EOS-2-40439,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)c(Cl)c5)c[nH]4)n23)cn1,CMXOTRLPCWSSOG-UHFFFAOYSA-N,2,1,0.505,88,919,485.762,5.763,5,0.309,0.7,1.0,0.7122541292577617,0.6347834281406346,0.9356195600027414,0.9607891851141115,0.8108615756288122
EOS-2-40440,C#Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)cc4Cl)n23)cn1,HEHYSIGLEATRQC-UHFFFAOYSA-N,2,1,0.544,90,555,414.227,4.193,4,0.37,0.73,1.0,0.9324497978205744,0.9361849770406415,0.9648156397779453,0.9688849290658625,0.950583835926256
EOS-2-40441,FC(F)(F)c1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)cn1,OIHPYTSGKZVOSF-UHFFFAOYSA-N,2,1,0.435,7,726,485.817,3.685,5,0.367,0.65,0.467,0.5344133369885546,0.6347919950654513,0.8461380302926461,0.7504968816393668,0.6914600609965047
EOS-2-40442,FC(F)(F)c1ncc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cn1,GTKAIFGZOWEVNN-UHFFFAOYSA-N,2,1,0.38,51,48,485.817,3.685,5,0.367,0.66,1.0,0.6639880748406553,0.6883781097937085,0.7293023096429305,0.6031457747926804,0.6712035672674936
EOS-2-40443,FC(F)(F)c1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)cn1,AIEVCFJDHUWBSB-UHFFFAOYSA-N,2,1,0.436,46,113,485.817,3.685,5,0.367,0.67,0.777,0.6058015214858474,0.6930984853676924,0.7880885477349051,0.664870468096772,0.6879647556713042
EOS-2-40444,Fc1cc(F)c(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c(F)c1F,DAVLLFKSVKEABQ-UHFFFAOYSA-N,2,1,0.5,59,13,485.828,5.642,5,0.183,0.69,1.0,0.9415050373517923,0.9432012884654924,0.987800699061065,0.989711123295182,0.9655545370433829
EOS-2-40445,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)c(F)c1F,BIGHPPBFGVCXMF-UHFFFAOYSA-N,2,1,0.511,59,13,485.828,5.642,5,0.301,0.62,1.0,0.9488725926941265,0.9488811596189431,0.9878092659858817,0.9903365088067987,0.9689748817764374
EOS-2-40446,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)ccc2F)cc1F,JCJJXXSSWADEMT-UHFFFAOYSA-N,2,1,0.512,88,13,485.828,5.642,5,0.301,0.72,1.0,0.9496521828524432,0.9649441436501953,0.9874837228428484,0.9922726338153657,0.9735881707902132
EOS-2-40447,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2C(F)F)cc1,ATCDAAZPYLJWEH-UHFFFAOYSA-N,2,1,0.438,57,236,485.828,6.515,5,0.265,0.77,1.0,0.7976663696799396,0.9231461174696731,0.9864985264889315,0.9885374545952985,0.9239621170584607
EOS-2-40448,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)ccn2)cc1F,IIOAQXOUACTQJG-UHFFFAOYSA-N,2,1,0.542,59,13,485.828,5.642,5,0.238,0.73,1.0,0.9697930230964293,0.9625368377767116,0.9903879103556987,0.9937461448838325,0.979115979028168
EOS-2-40449,Fc1c(F)c(F)c(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(Cl)c1F,INJDZWQUEKAFJH-UHFFFAOYSA-N,2,1,0.538,57,13,485.828,5.642,5,0.183,0.75,1.0,0.9718833527516962,0.9659122061544788,0.987492289767665,0.9860273456240148,0.9778287985744637
EOS-2-40450,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)cc1F,OHSPRTOGXQARSH-UHFFFAOYSA-N,2,1,0.542,59,13,485.828,5.642,5,0.238,0.76,1.0,0.9387293537111918,0.9694417791789459,0.9914073744088822,0.994482900418066,0.9735153519292715
EOS-2-40451,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccc(F)c5Cl)n4)n23)c(F)c1,PYLSZGKEIFHUCT-UHFFFAOYSA-N,2,1,0.535,34,146,485.828,5.642,5,0.301,0.73,1.0,0.932458364745391,0.9562058803371941,0.9806130491398808,0.987312384346515,0.9641474196422453
EOS-2-40452,COc1cc(-c2nnc3cncc(OCc4nc(-c5ccc(C(F)F)nc5)no4)n23)ccc1Cl,KGHRNSXOBPPARD-UHFFFAOYSA-N,2,1,0.478,27,67,485.838,4.415,5,0.33,0.72,1.0,0.7722140360496196,0.8486138715646632,0.7190219998629293,0.6363854430813515,0.7440588376396408
EOS-2-40453,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(OC(F)F)c5)n34)nc2)no1,SKIYOMCJDQTQSS-UHFFFAOYSA-N,2,1,0.568,27,67,485.838,4.379,5,0.331,0.7,1.0,0.7488948666986499,0.8546449866355973,0.7658316770612021,0.7108577205126447,0.7700573127270236
EOS-2-40454,COc1cc(-c2nnc3cncc(OCc4cncc(-c5ncnn5C(F)F)n4)n23)ccc1Cl,LEPNYVYCZVFGMD-UHFFFAOYSA-N,2,1,0.429,7,212,485.842,3.476,5,0.341,0.64,1.0,0.5884449318072784,0.7668254403399356,0.4976612295250497,0.4474761839490097,0.5751019464053183
EOS-2-40455,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,SGKMGTNYDOWNCK-UHFFFAOYSA-N,2,1,0.6,1,138,485.853,6.006,5,0.303,0.78,1.0,0.966734630936879,0.945608594338976,0.9798505928311974,0.9669145363580289,0.9647770886162703
EOS-2-40456,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nn5)n34)nc2)nn1,VJHAVTWWRRULAL-UHFFFAOYSA-N,2,1,0.381,71,826,485.855,2.716,6,0.34,0.64,0.866,0.45468953464464396,0.4493352066342266,0.12240422178054966,0.14897882256185319,0.29385194640531836
EOS-2-40457,FC(F)(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)cn1,KEJOWQBRVQWUJU-UHFFFAOYSA-N,2,1,0.581,37,519,485.857,4.801,5,0.343,0.71,1.0,0.7666369679939689,0.8577119457199643,0.952187992598177,0.9091991638681379,0.871434017545062
EOS-2-40458,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccnc5Cl)n34)ccc2F)c(C(F)F)n1,DXDPTIYYOATARC-UHFFFAOYSA-N,2,1,0.5,16,394,485.857,4.896,5,0.318,0.69,0.714,0.6762816119525735,0.7537780138441506,0.92436262079364,0.8987817832910698,0.8133010074703585
EOS-2-40459,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)nc1Cl,CMSFMPOJGNWXJI-UHFFFAOYSA-N,2,1,0.533,37,519,485.857,4.859,5,0.306,0.68,1.0,0.7865036666438215,0.8609673771502981,0.9112380919745048,0.8891868274964019,0.8619739908162567
EOS-2-40460,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4nncn4C(F)F)cc3)n12,LDNAFJLPDOYKKN-UHFFFAOYSA-N,2,1,0.578,91,520,485.857,4.859,5,0.327,0.69,1.0,0.9250394078541567,0.9404170379000754,0.9287488862997738,0.9253563840723734,0.9298904290315948
EOS-2-40461,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cn(C(F)F)cn5)nc4)n23)ccc1Cl,UIGABHDORIYQPA-UHFFFAOYSA-N,2,1,0.682,84,360,485.857,4.859,5,0.327,0.71,1.0,0.9275238160509903,0.9194366390240559,0.9437581385785758,0.9307107120827908,0.9303573264341033
EOS-2-40462,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cc5F)n34)nc2F)n1,DAXKFGPWVKRGOT-UHFFFAOYSA-N,2,1,0.457,84,442,485.857,4.279,5,0.264,0.63,1.0,0.7309043245836474,0.6931070522925091,0.8756939209101501,0.8723699540812829,0.7930188129668974
EOS-2-40463,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnn(C(F)F)c5)n34)c2)cc1Cl,GXAACUVDIGMPSX-UHFFFAOYSA-N,2,1,0.484,84,503,485.857,4.859,5,0.327,0.63,1.0,0.6029487355218971,0.62497429922555,0.9168751285038722,0.9115550681927216,0.7640883078610102
EOS-2-40464,Fc1cc(-c2ccn(C(F)F)n2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,LSWCHMLNMVBFGM-UHFFFAOYSA-N,2,1,0.495,37,639,485.857,4.859,5,0.306,0.67,1.0,0.7865122335686382,0.857720512644781,0.8794976355287506,0.867598176958399,0.8478321396751423
EOS-2-40465,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)c4)nc3)n12,KXIXPMAPQBNDSU-UHFFFAOYSA-N,2,1,0.538,84,749,485.857,4.859,5,0.327,0.68,1.0,0.7154410252895621,0.8162137619080255,0.9196850798437393,0.9080511959427044,0.8398477657460077
EOS-2-40466,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)nn1C(F)F,ZLOCNNAKYZJTIS-UHFFFAOYSA-N,2,1,0.435,59,332,485.857,5.125,5,0.332,0.63,1.0,0.5658368172160921,0.6544616544445206,0.9101929271468714,0.8904547323692688,0.7552365327941882
EOS-2-40467,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccnc(-c5cncn5C(F)F)c4)n23)c1,RRBCFJLFTQRTPW-UHFFFAOYSA-N,2,1,0.557,75,524,485.857,4.859,5,0.327,0.63,1.0,0.6762901788773902,0.708039202247961,0.937589952710575,0.9275409499006236,0.8123650709341375
EOS-2-40468,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cn(C(F)F)cn4)nc3)n12,FODIPFOWRGQOPY-UHFFFAOYSA-N,2,1,0.527,84,749,485.857,4.859,5,0.327,0.65,0.997,0.8595709684051813,0.8751970392707834,0.9295798780069906,0.920207662257556,0.8961388869851278
EOS-2-40469,Cc1c(-c2cncc3nnc(-c4ccc(Cl)c(OCc5ccccn5)c4F)n23)cnn1C(F)F,HZGXWJCIWZWYMB-UHFFFAOYSA-N,2,1,0.412,22,315,485.857,5.125,5,0.332,0.66,0.978,0.35449934891371393,0.567284627510109,0.8757024878349667,0.8359690905352615,0.6583638886985128
EOS-2-40470,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)cn4)n23)c1,DAPYKROUSVTSDP-UHFFFAOYSA-N,2,1,0.44,84,1,485.857,4.859,5,0.327,0.68,0.998,0.7309128915084642,0.7668340072647523,0.9390206291549585,0.9323469947227743,0.8422786306627373
EOS-2-40471,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccn(C(F)F)n1,OURVMGIHYHPJLK-UHFFFAOYSA-N,2,1,0.538,37,563,485.857,4.859,5,0.327,0.66,1.0,0.855039065177164,0.8804485641834007,0.897616681516003,0.8850918374340346,0.8795490370776505
EOS-2-40472,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)cnc1Cl,JOELVWSCGIUJII-UHFFFAOYSA-N,2,1,0.535,37,519,485.857,4.859,5,0.306,0.64,1.0,0.7807466931670207,0.854653553560414,0.9334606949489411,0.9103471317935714,0.8698020183674868
EOS-2-40473,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cc(F)c(F)c(F)c1,OJJOJAMXUBQDRX-UHFFFAOYSA-N,2,1,0.478,95,998,485.857,4.279,5,0.264,0.72,1.0,0.6252655746693166,0.5075988623123844,0.8809454458227675,0.8865482146528683,0.7250895243643343
EOS-2-40474,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cc2)n(C(F)F)n1,ZVTFPKGXCRXZJF-UHFFFAOYSA-N,2,1,0.6,43,96,485.857,5.125,5,0.332,0.8,1.0,0.8413148516208622,0.8546621204852306,0.8757110547597834,0.8595624014803646,0.8578126070865602
EOS-2-40475,Fc1ccc(Oc2cccc(-c3nnco3)n2)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,LNEVMAQKMHDQSW-UHFFFAOYSA-N,2,1,0.357,3,533,485.866,5.488,6,0.316,0.74,0.998,0.6639966417654719,0.8416660955383456,0.7797272291138373,0.8117075594544583,0.7742743814680282
EOS-2-40476,Fc1cc(-c2nnco2)cc(Cl)c1Oc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,GZGIWPNOFRNDQF-UHFFFAOYSA-N,2,1,0.452,77,923,485.866,5.488,6,0.316,0.75,1.0,0.7891679802618052,0.7958073469947228,0.8169590843670756,0.8117161263792749,0.8034126345007198
EOS-2-40477,Fc1cc(Oc2ccccc2)ccc1-c1nnc2cncc(-c3nnc(-c4ccc(Cl)nc4)o3)n12,XEGIGKPHCGLYFA-UHFFFAOYSA-N,2,1,0.333,30,960,485.866,5.488,6,0.295,0.72,0.994,0.5855750119936948,0.7580015077787677,0.7084075800150778,0.7755808375025701,0.7068912343225275
EOS-2-40478,Fc1cc(-c2ccc(Cl)cn2)ccc1Oc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,DQYPHCFYRIOMLB-UHFFFAOYSA-N,2,1,0.396,13,870,485.87,4.618,6,0.375,0.72,1.0,0.7122626961825783,0.7450654513055993,0.6875042834624083,0.7135306010554452,0.7145907580015078
EOS-2-40479,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(Cl)n6)cn5)n34)c(F)c2)o1,FWIBVPMBYKRICC-UHFFFAOYSA-N,2,1,0.314,32,572,485.87,4.461,6,0.333,0.62,1.0,0.3334846823384278,0.4537985744637105,0.49766979644986636,0.5136385443081352,0.449647899390035
EOS-2-40480,Oc1cccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)nc5)nn4)n23)cc1F,ADDLIKMCNKLWQO-UHFFFAOYSA-N,2,1,0.295,10,620,485.87,3.994,6,0.372,0.59,1.0,0.04896854225207319,0.312615653485025,0.6280241244602838,0.6827239394147077,0.4180830649030224
EOS-2-40481,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)nc2)cc1Cl,OXCHDRNADRXODC-UHFFFAOYSA-N,2,1,0.297,3,424,485.87,4.461,6,0.356,0.5,0.985,0.28695771365910494,0.3417603317113289,0.5659310533890755,0.609605236104448,0.4510635837159893
EOS-2-40482,Cn1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6cncnc6)c(F)c5)n34)cn2)n1,YJUDNLMLJKEXKO-UHFFFAOYSA-N,2,1,0.318,94,219,485.874,3.293,6,0.369,0.57,1.0,0.24676170241929957,0.32727366184634366,0.4159584675484888,0.5200808717702693,0.37751867589610033
EOS-2-40483,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ncc(Cl)cc5F)n4)n23)cc1,YXLXOLNPFILDHE-UHFFFAOYSA-N,2,1,0.312,98,882,485.874,3.293,6,0.369,0.64,1.0,0.21639195394421218,0.3226817901446097,0.2504797477897334,0.354910561304914,0.2861160132958673
EOS-2-40484,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(Cl)ccc6F)c5)n34)nc2)c1,QEUPOQRZYWTPBP-UHFFFAOYSA-N,2,1,0.303,3,673,485.885,5.638,6,0.323,0.73,1.0,0.018547392228085807,0.2715029812898362,0.9270012336371736,0.9559146048934275,0.5432415530121308
EOS-2-40485,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccc(Cl)c6)o5)n34)cc2)o1,TZEBVCBYNZOHOB-UHFFFAOYSA-N,2,1,0.505,77,937,485.891,5.037,6,0.319,0.76,1.0,0.6911537934343088,0.7709289973271195,0.45625728188609416,0.46304228634089506,0.5953455897471044
EOS-2-40486,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,VTPWCZYEKJLRLN-UHFFFAOYSA-N,2,1,0.56,77,323,485.891,5.037,6,0.319,0.66,1.0,0.7807552600918375,0.7879514769378384,0.49093619354396545,0.5066565005825509,0.6415748577890481
EOS-2-40487,Cc1ccnn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)c(Cl)c1,WSQKXKPBOQZEGP-UHFFFAOYSA-N,2,1,0.384,6,826,485.895,3.963,6,0.345,0.63,1.0,0.3729268041943664,0.34176889863614557,0.42366013295867316,0.4027825371804537,0.3852845932424097
EOS-2-40488,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(Oc4ccc(-c5nnco5)n4C)n23)n1,VWCUFEKKDBRPPJ-UHFFFAOYSA-N,2,1,0.34,81,870,485.895,4.391,6,0.349,0.59,1.0,0.4357823315742581,0.4757727366184634,0.3052052635186074,0.319966074977726,0.38418160167226373
EOS-2-40489,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)cc1,GWRWJLXPATYBMG-UHFFFAOYSA-N,2,1,0.518,67,893,485.895,3.869,6,0.346,0.76,1.0,0.5884534987320952,0.5969861558494962,0.2504883147145501,0.29490781988897263,0.4327089472962785
EOS-2-40490,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cc5)o4)n23)cc1,MEOZVLVYFWBHJH-UHFFFAOYSA-N,2,1,0.512,67,937,485.895,3.869,6,0.346,0.69,1.0,0.6514632307586868,0.7493746144883833,0.26841888835583577,0.32298163251319306,0.4980595915290248
EOS-2-40491,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncc(Cl)c6)o5)n34)cc2)n[nH]1,WUYXEYFSWXEAEW-UHFFFAOYSA-N,2,1,0.5,40,425,485.895,4.167,6,0.369,0.61,1.0,0.6701733945582894,0.6589592899732712,0.34559831402919605,0.3360718936330615,0.5027007230484546
EOS-2-40492,Cn1c(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)ccc1-c1nnco1,QGPXAPRMQMEXQL-UHFFFAOYSA-N,2,1,0.441,81,117,485.895,3.869,6,0.346,0.63,0.918,0.5630182989514084,0.5772051264478103,0.3908316770612021,0.37801555753546706,0.477267664998972
EOS-2-40493,Cc1cc(-c2nncn2C)cc(Cl)c1Oc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,YDFVTFKNZMFNTN-UHFFFAOYSA-N,2,1,0.419,67,622,485.895,4.391,6,0.349,0.68,1.0,0.5795695976972106,0.5672931944349257,0.4196336782948393,0.3907802755123021,0.4893191864848194
EOS-2-40494,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3Cl)n12,CVABRCOOGLAAEP-UHFFFAOYSA-N,2,1,0.319,67,642,485.895,3.966,6,0.357,0.73,1.0,0.4546981015694606,0.4843310945103146,0.4420104859159756,0.41562435748063875,0.4491660098690974
EOS-2-40495,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nncn5-c5cc(Cl)ccn5)n34)cc2)o1,LKCOZEQITBVVAM-UHFFFAOYSA-N,2,1,0.443,40,415,485.895,3.963,6,0.345,0.63,1.0,0.4638818449729285,0.5258035775478035,0.3015214858474402,0.3261428277705435,0.4043374340346789
EOS-2-40496,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)cc5)no4)n23)cc1,SXLLOHGLUNFJHV-UHFFFAOYSA-N,2,1,0.542,67,755,485.895,3.869,6,0.346,0.76,1.0,0.7154495922143788,0.7262953190322802,0.257427523816051,0.3139777945308752,0.5032875573983963
EOS-2-40497,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ncc(-c4cc(C)[nH]n4)cc3Cl)n12,MNXLTLWJFXLGCD-UHFFFAOYSA-N,2,1,0.267,96,693,485.895,4.264,6,0.38,0.63,0.076,0.46389041189774516,0.4538071413885272,0.40878795147693786,0.37466588993214994,0.42528784867384006
EOS-2-40498,Cn1cncc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)c1,OPGKJAGMWMUEEW-UHFFFAOYSA-N,2,1,0.439,81,218,485.895,3.869,6,0.346,0.68,0.999,0.45240216571859365,0.5347988486053047,0.3983106024261531,0.3936758961003358,0.44479687821259684
EOS-2-40499,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)cc1,QLLBMNDRHRHQJF-UHFFFAOYSA-N,2,1,0.518,67,893,485.895,3.869,6,0.346,0.73,1.0,0.6140172023850319,0.620613734493866,0.25405215543828386,0.3108165992735248,0.44987492289767667
EOS-2-40500,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6cccc(Cl)c6)n5)n34)nc2)n[nH]1,PLVMODISFZZRLK-UHFFFAOYSA-N,2,1,0.333,46,975,485.899,3.093,6,0.377,0.64,0.811,0.29795764512370637,0.37081077376464944,0.11666438215338222,0.15163456925502022,0.23426684257418956
EOS-2-40501,Cc1cc(-c2nnc3cncc(Oc4cc(-c5ccc(-c6nn[nH]n6)cn5)nn4C)n23)ccc1Cl,AHCKIZLKTFSCIU-UHFFFAOYSA-N,2,1,0.368,67,706,485.899,3.521,6,0.388,0.68,1.0,0.4547066684942773,0.5824823521348776,0.2906500582550888,0.29810328284558973,0.40648559043245835
EOS-2-40502,Cn1ccc(-c2cn(-c3ccc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)nn3)nn2)n1,JUUDNZXSPGYOIJ-UHFFFAOYSA-N,2,1,0.505,71,534,485.899,2.795,6,0.35,0.61,0.967,0.397719484613803,0.6206223014186828,0.1645449249537386,0.21813960660681242,0.35025657939825916
EOS-2-40503,Cn1nc(-c2cccc(-c3nn[nH]n3)c2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ZEEHQBZYLPXKLM-UHFFFAOYSA-N,2,1,0.506,67,893,485.899,2.999,6,0.377,0.68,1.0,0.6084401343293812,0.7310670961551642,0.12241278870536632,0.19226749366047563,0.41354687821259684
EOS-2-40504,COc1nc(-c2cnnn2C)ccc1-c1cncc2nnc(-c3ccc(-c4cc(Cl)[nH]n4)cn3)n12,GWRWSQIHLYASQZ-UHFFFAOYSA-N,2,1,0.25,70,813,485.899,3.096,6,0.39,0.56,0.964,0.24947741758618328,0.32269035706942634,0.1804879720375574,0.17844904393119046,0.23277619765608937
EOS-2-40505,Cn1cnnc1-c1nc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)ncc1Cl,NBJDVHNMNUNUPJ-UHFFFAOYSA-N,2,1,0.408,56,428,485.899,2.999,6,0.377,0.57,1.0,0.6484391062984032,0.5875711054759784,0.10556164759098075,0.14898738948666987,0.37263981221300796
EOS-2-40506,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ncc(-c5nncn5C)cc4Cl)n23)nc1,NRIFDBJOSSXYKM-UHFFFAOYSA-N,2,1,0.313,99,502,485.899,3.223,6,0.361,0.63,1.0,0.3867880885477349,0.444940374203276,0.12764717976835036,0.1370279624426016,0.2741009012404907
EOS-2-40507,Cn1cnnc1-c1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,UKFDLQQXSAMVAE-UHFFFAOYSA-N,2,1,0.443,36,584,485.899,2.999,6,0.377,0.62,1.0,0.6058100884106641,0.7080477691727778,0.2761205537660201,0.29491638681378934,0.47122369954081283
EOS-2-40508,COc1ncc(-c2nncn2C)cc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)c(Cl)c3)n12,HZIMEZXGFMVZSX-UHFFFAOYSA-N,2,1,0.295,98,765,485.899,3.096,6,0.39,0.63,1.0,0.3360119251593448,0.4137053663217052,0.21801966965937908,0.2268778699198136,0.2986537077650606
EOS-2-40509,Cn1nc(-c2c[nH]nn2)cc1COc1cncc2nnc(-c3ccc(-c4ccnc(Cl)n4)cc3)n12,WAOARUPMIBHKKU-UHFFFAOYSA-N,2,1,0.408,71,415,485.899,2.999,6,0.353,0.52,1.0,0.39345315605510245,0.47578130354328013,0.2288996641765472,0.23274621341923105,0.3327200842985402
EOS-2-40510,Fc1ccc(Oc2cc(F)c(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cc1,BFSHDFVPXCGILJ-UHFFFAOYSA-N,2,1,0.484,88,639,485.903,5.593,5,0.299,0.7,1.0,0.8769275580837502,0.8913371256253855,0.8542423411692139,0.8709392776368995,0.8733615756288123
EOS-2-40511,FC(F)Oc1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(Cl)cc5)n4)n23)cc1,UNWIKSDTWAFWCP-UHFFFAOYSA-N,2,1,0.675,1,640,485.903,5.749,5,0.292,0.8,1.0,0.9035706942635872,0.9488897265437598,0.9178517579329724,0.9159927352477555,0.9215762284970186
EOS-2-40512,COc1cc(Cl)ccc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4)n23)c1,NAYHZZTZRBQORZ-UHFFFAOYSA-N,2,1,0.552,57,709,485.906,5.71,5,0.306,0.69,1.0,0.9607634843396614,0.9562144472620109,0.9750788157083133,0.9659464738537454,0.9645008052909327
EOS-2-40513,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2C(F)F)s1,GNWKCCVOCBTHPQ-UHFFFAOYSA-N,2,1,0.517,16,51,485.907,5.183,5,0.327,0.65,1.0,0.7397710917688987,0.7580100747035844,0.7923548762936057,0.7709889658008361,0.7652812521417313
EOS-2-40514,FC(F)c1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)cn1,RFXXXRYQTKGORL-UHFFFAOYSA-N,2,1,0.516,75,454,485.907,4.917,5,0.323,0.74,1.0,0.8846035227194846,0.8885100404358851,0.6520115139469536,0.6186433417860325,0.7609421047220889
EOS-2-40515,N=c1[nH]nc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ccc2F)s1,FLBBPPNKNCUZNU-UHFFFAOYSA-N,2,1,0.558,88,803,485.907,4.275,5,0.373,0.58,1.0,0.927532382975807,0.8779470221369338,0.7563395243643342,0.7987543691316565,0.8401433246521829
EOS-2-40516,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)cc2F)s1,RAZBCOBGVITNSE-UHFFFAOYSA-N,2,1,0.528,37,490,485.907,4.566,5,0.348,0.68,1.0,0.8458638886985128,0.8858285929682681,0.5527122883969571,0.6244003152628332,0.7272012713316428
EOS-2-40517,Cc1nscc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(Cl)nn1,GIMDOBOVHZAYIA-UHFFFAOYSA-N,2,1,0.511,72,51,485.907,5.183,5,0.327,0.71,1.0,0.7976749366047563,0.7879600438626551,0.790281680487972,0.7781851826468371,0.7885254609005552
EOS-2-40518,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4nnc5ccccn45)cc3)n12,BMVNXKSQUGFWOV-UHFFFAOYSA-N,2,1,0.639,91,660,485.91,4.915,6,0.333,0.74,1.0,0.9620742238366116,0.9488982934685766,0.7680762113631691,0.8220221369337263,0.8752677164005208
EOS-2-40519,Cc1c(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)c(-c2ccc(F)cc2)nn1C,PCYUUQGVKZZCNR-UHFFFAOYSA-N,2,1,0.308,10,783,485.914,4.54,6,0.364,0.63,1.0,0.005688438078267425,0.2354105270372147,0.4087965184017545,0.5757744500034268,0.30641748338016583
EOS-2-40520,Cn1cc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c(-c2ccc(-c3nncn3C)cc2)n1,DKJRLMRPWSQORD-UHFFFAOYSA-N,2,1,0.351,67,642,485.914,4.447,6,0.366,0.74,1.0,0.21927044068261256,0.4627681447467617,0.6338410664108012,0.6855852923034748,0.5003662360359126
EOS-2-40521,Cc1nc(-c2ccc(F)c(Cl)c2)c(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1C,OBNAOFIQENTSSA-UHFFFAOYSA-N,2,1,0.307,3,7,485.914,4.745,6,0.386,0.67,1.0,0.2654375985196354,0.384929065862518,0.5527208553217737,0.6156963196490988,0.45469595983825645
EOS-2-40522,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(Cl)n(C)n6)cc5F)n34)cc2)n[nH]1,WWNZQRWXCVGPQK-UHFFFAOYSA-N,2,1,0.31,9,98,485.914,4.745,6,0.386,0.58,1.0,0.21927900760742924,0.37570248783496674,0.5659396203138921,0.5945531492015627,0.4388685662394627
EOS-2-40523,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(Cl)c6F)n5C)n34)cc2)n[nH]1,XASPBKDZZQSSDC-UHFFFAOYSA-N,2,1,0.299,3,474,485.914,4.745,6,0.386,0.69,1.0,0.1772925090809403,0.4271640052086903,0.5012507710232335,0.6128949352340484,0.4296505551367281
EOS-2-40524,Cn1cc(-c2cc(F)c(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5Cl)n34)cn2)cn1,DKHPQDVOXMAGKB-UHFFFAOYSA-N,2,1,0.306,42,151,485.914,4.447,6,0.366,0.67,1.0,0.16914536358028923,0.31262422040984167,0.6795113426084572,0.6911880611335754,0.4631172469330409
EOS-2-40525,CCOc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccc2F)n[nH]1,FYPBHPOVDBNSGC-UHFFFAOYSA-N,2,1,0.465,37,639,485.932,4.451,5,0.346,0.57,0.997,0.8005876910424234,0.7263038859570968,0.3872678363374683,0.40579809471592077,0.5799893770132273
EOS-2-40526,Fc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)ccc2Cl)nc1,ADJAQAGIFWJRPQ-UHFFFAOYSA-N,2,1,0.351,69,484,485.935,5.831,6,0.312,0.81,1.0,0.35011308340758,0.5348074155301213,0.7658402439860188,0.8140463299294085,0.6162017682132821
EOS-2-40527,CC(=O)NCc1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,DZHQAPFBDVBLFP-UHFFFAOYSA-N,2,1,0.479,1,436,485.935,4.117,5,0.369,0.79,1.0,0.7749554519909533,0.592300047974779,0.48407408676581454,0.41258309917072167,0.5659781714755671
EOS-2-40528,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(OCC6CC6)nc5)c4)n23)cn1,NMCGDXYIFPDUPB-UHFFFAOYSA-N,2,1,0.458,75,525,485.935,4.665,6,0.292,0.69,1.0,0.6058186553354807,0.5440254266328559,0.40171167157837023,0.4997858268795833,0.5128353951065725
EOS-2-40529,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cs2)cc1Cl,NGBANJIKZBZJPR-UHFFFAOYSA-N,2,1,0.355,38,479,485.935,5.831,6,0.312,0.74,1.0,0.2813720786786375,0.48902576930984853,0.7658488109108355,0.8140548968542252,0.5875753889383867
EOS-2-40530,Fc1nc(Cl)ccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)nc1,XDQJDWFQGKUZCP-UHFFFAOYSA-N,2,1,0.333,69,479,485.935,5.831,6,0.292,0.69,1.0,0.27074052498115275,0.43184154615859094,0.8012045096292235,0.8220307038585429,0.5814543211568776
EOS-2-40531,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)ns2)cc1Cl,CFWOYKQASCFPPR-UHFFFAOYSA-N,2,1,0.305,30,737,485.935,5.831,6,0.312,0.74,1.0,0.20000342676992666,0.37571105475978345,0.6657699952025221,0.8008875334110068,0.5105930025358097
EOS-2-40532,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)nc5)n34)s2)cn1,IRDHLXBBTZDLIZ-UHFFFAOYSA-N,2,1,0.397,32,126,485.935,5.831,6,0.312,0.73,1.0,0.2247704064149133,0.5164399287231856,0.7680847782879857,0.8319597697210609,0.5853137207867863
EOS-2-40533,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)nc2)ccc1Cl,IAEHTAHBQLVWPY-UHFFFAOYSA-N,2,1,0.319,32,20,485.935,5.831,6,0.312,0.76,1.0,0.2302275375231307,0.42717257213350696,0.8381707902131451,0.8765591803166335,0.593032520046604
EOS-2-40534,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(Cl)c6)s5)n34)cn2)cc1,PJBYMXLTGSANHF-UHFFFAOYSA-N,2,1,0.367,3,950,485.935,5.831,6,0.312,0.71,1.0,0.11723836611609896,0.45812487149612774,0.687512850387225,0.8220392707833596,0.5212288396957028
EOS-2-40535,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(Cl)n(C)n6)cn5)n34)cc2)cs1,VTODEQOFICAQGY-UHFFFAOYSA-N,2,1,0.321,38,193,485.964,4.734,6,0.355,0.75,1.0,0.15833390446165443,0.3317541635254609,0.22180625042834623,0.24721574943458297,0.23977751696251115
EOS-2-40536,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cccc(Cl)c6)nn5C)n34)cc2)s1,KXCNRQWUTBJYAN-UHFFFAOYSA-N,2,1,0.4,3,598,485.964,4.734,6,0.355,0.69,1.0,0.035569871838804744,0.2817233225961209,0.1457062572818861,0.24722431635939962,0.17755594201905284
EOS-2-40537,Clc1ccccc1COc1cncc2nnc(-c3ccc(-c4cnn(C5CCNCC5)c4)cc3)n12,AQYBMPLSELKYEZ-UHFFFAOYSA-N,2,1,0.495,43,322,485.979,4.812,6,0.371,0.68,1.0,0.3799859502433007,0.30750119936947434,0.2871718867795216,0.4997943938044,0.3686133575491742
EOS-2-40538,N#Cc1ccc(-c2cscc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,PDMOKNGYFJUWNI-UHFFFAOYSA-N,2,1,0.465,96,3,413.893,5.712,5,0.38,0.84,1.0,0.3521434445891303,0.587579672400795,0.945685696662326,0.9688934959906792,0.7135755774107326
EOS-2-40539,Cc1ccc(-c2nnc3cncc(-c4cc(-c5ccc(Cl)nc5)nc(C)n4)n23)cc1,MDVBFKAAUWROSK-UHFFFAOYSA-N,2,1,0.367,96,139,413.872,4.581,5,0.402,0.75,1.0,0.2386059899938318,0.3757196216846001,0.5946816530738126,0.6096138030292646,0.4546552669453773
EOS-2-40540,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,MTMBSNHIBZOUAN-UHFFFAOYSA-N,2,1,0.571,12,650,413.868,5.086,5,0.376,0.83,1.0,0.8087348365430745,0.8348296895346446,0.8169676512918923,0.8509869097388801,0.8278797717771229
EOS-2-40541,Clc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,NPBYEVCFZHIDKR-UHFFFAOYSA-N,2,1,0.57,1,709,413.868,5.086,5,0.401,0.86,1.0,0.94966074977726,0.9157956959769721,0.8632804468507984,0.8835669248166678,0.9030759543554245
EOS-2-40542,Clc1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccncc4)n23)cc1,AXFKVZQGHDAMQN-UHFFFAOYSA-N,2,1,0.671,1,326,413.868,5.086,5,0.401,0.83,1.0,0.9488811596189431,0.9659207730792955,0.8880217257213351,0.9080597628675211,0.9277208553217737
EOS-2-40543,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccn5)c4)n23)cc1,UZQKKKJBLHXZDN-UHFFFAOYSA-N,2,1,0.667,1,709,413.868,5.086,5,0.401,0.84,1.0,0.9639161126721952,0.9694503461037626,0.8632890137756151,0.8835754917414845,0.9200577410732643
EOS-2-40544,Clc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,QZNQSLSBQSDECJ-UHFFFAOYSA-N,2,1,0.608,1,326,413.868,5.086,5,0.401,0.83,1.0,0.9002124597354534,0.9097217462819547,0.9008635460215201,0.914870468096772,0.9064170550339251
EOS-2-40545,Clc1ccc(-c2nnc3cncc(OCc4ccccc4-c4cccnc4)n23)cc1,ABKYGYBMGSUISI-UHFFFAOYSA-N,2,1,0.653,1,326,413.868,5.086,5,0.401,0.84,1.0,0.9607720512644781,0.9672143787266123,0.8809540127475841,0.9023284901651704,0.9278172332259613
EOS-2-40546,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)c4)n23)cc1,MZENJXAPXLNKFC-UHFFFAOYSA-N,2,1,0.676,1,326,413.868,5.086,5,0.401,0.8,1.0,0.959435610993078,0.9625454047015284,0.8927249674456857,0.9115636351175382,0.9315674045644575
EOS-2-40547,Clc1cccc(COc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)c1,QZQCTMCZYLLXPQ-UHFFFAOYSA-N,2,1,0.615,1,326,413.868,5.086,5,0.401,0.8,1.0,0.778082379549037,0.8046055787814406,0.884492152696868,0.9059094647385375,0.8432723939414708
EOS-2-40548,Clc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccccc4)n23)cc1,NTNZWTCNLFVGMY-UHFFFAOYSA-N,2,1,0.623,1,709,413.868,5.086,5,0.401,0.78,1.0,0.9112723596737715,0.8985162086217532,0.803072099239257,0.8457011171269961,0.8646404461654444
EOS-2-40549,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)nc1,LQTMRYVSXRGGCZ-UHFFFAOYSA-N,2,1,0.597,57,528,413.868,5.607,5,0.383,0.85,1.0,0.8863083407580015,0.9315674045644575,0.8716931670207663,0.8779298882873003,0.8918747001576315
EOS-2-40550,Clc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)cc1,WZCRBKGUXCADEV-UHFFFAOYSA-N,2,1,0.645,1,709,413.868,5.086,5,0.401,0.76,1.0,0.9682852443286958,0.967222945651429,0.8050424919470907,0.8492992255499966,0.897462476869303
EOS-2-40551,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,ULHHURQHFRPTBO-UHFFFAOYSA-N,2,1,0.671,1,951,413.868,5.086,5,0.401,0.88,1.0,0.9435610993077925,0.9097303132067713,0.870279624426016,0.8865567815776849,0.9025319546295663
EOS-2-40552,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)cc1,OVQRWOZFONSFSI-UHFFFAOYSA-N,2,1,0.694,1,709,413.868,5.086,5,0.401,0.88,1.0,0.9662377492975122,0.9694589130285792,0.8717017339455829,0.8877904187512851,0.9237972037557398
EOS-2-40553,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cc4)n23)cc1,RXPJSYRDBFBVMK-UHFFFAOYSA-N,2,1,0.714,1,326,413.868,5.086,5,0.401,0.87,1.0,0.9644900966349119,0.9665547255157289,0.8997327119457199,0.9135254609005551,0.9360757487492289
EOS-2-40554,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5)n34)c2)nc1,YFHCVXPWSWROBD-UHFFFAOYSA-N,2,1,0.595,79,709,413.868,5.086,5,0.401,0.8,1.0,0.8413234185456788,0.80023644712494,0.839798505928312,0.864377013227332,0.8364338462065656
EOS-2-40555,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)nc4)n23)cc1,HLJHHKQGIONYHT-UHFFFAOYSA-N,2,1,0.662,1,709,413.868,5.086,5,0.401,0.86,1.0,0.9738194777602632,0.9580306353231444,0.8445617161263793,0.8709478445617161,0.9118399184428758
EOS-2-40556,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)n4)n23)cc1,CTVYAQVUTFIYOG-UHFFFAOYSA-N,2,1,0.575,12,347,413.868,5.086,5,0.401,0.81,1.0,0.8729353711191831,0.9542183537797272,0.7880971146597218,0.8359776574600781,0.8628071242546775
EOS-2-40557,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)cc1,NIQNXMSEARHFDA-UHFFFAOYSA-N,2,1,0.64,12,347,413.868,5.086,5,0.401,0.84,1.0,0.859579535329998,0.9510143238982934,0.8428997327119457,0.8765677472414503,0.8825153347954219
EOS-2-40558,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccccc5)ccn4)n23)cc1,HHNDHKOTHSSBGE-UHFFFAOYSA-N,2,1,0.632,12,347,413.868,5.086,5,0.401,0.83,1.0,0.8458724556233295,0.9531988897265438,0.8461465972174628,0.8793434308820506,0.8811403433623466
EOS-2-40559,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cn1,XUXWOQRKLQZEGV-UHFFFAOYSA-N,2,1,0.341,22,216,413.832,3.174,5,0.446,0.82,1.0,0.26282468645055174,0.4271811390583236,0.5591974504831746,0.6331642793502844,0.47059188883558356
EOS-2-40560,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,JEFIPBLVOTZQQR-UHFFFAOYSA-N,2,1,1.0,48,948,413.796,4.114,4,0.348,0.79,1.0,0.9975412925776164,0.9432098553903091,0.816976218216709,0.6767099581934068,0.8586093310945104
EOS-2-40561,N#Cc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,WHPJKFYXWOFTRO-UHFFFAOYSA-N,2,1,0.489,68,127,413.775,3.623,4,0.492,0.71,0.997,0.8788722500171339,0.9231546843944898,0.9303851689397574,0.9033822219176204,0.9089485813172504
EOS-2-40562,Fc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(Br)cc5F)n34)n2)nc1,GSWXLRLIFZBAQC-UHFFFAOYSA-N,2,1,0.517,73,877,486.236,3.856,5,0.369,0.7,1.0,0.7278630662737304,0.7922435062709889,0.5046261394010007,0.5915718593653622,0.6540761428277705
EOS-2-40563,Cn1nnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)no1,VGCYFTXHGARBIZ-UHFFFAOYSA-N,2,1,0.465,36,728,413.76,2.555,5,0.437,0.66,1.0,0.4762353505585635,0.6638167363443218,0.18699026797340826,0.31398636145569186,0.41025717908299636
EOS-2-40564,Cn1nnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)no1,FOIRWMQGVQUSKV-UHFFFAOYSA-N,2,1,0.471,36,728,413.76,2.555,5,0.437,0.77,1.0,0.5524124460283737,0.7031303543280104,0.2218148173531629,0.3390531834692619,0.4541027002947022
EOS-2-40565,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cc(-c4nnco4)on3)n12,DYUVFTWFVYZTNE-UHFFFAOYSA-N,2,1,0.523,4,10,413.756,3.201,5,0.428,0.66,1.0,0.6336868617641012,0.7709375642519362,0.44901823041600986,0.5264289630594202,0.5950179048728669
EOS-2-40566,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3noc(-c4cnco4)n3)n12,NJJXTVOSJRVPPK-UHFFFAOYSA-N,2,1,0.524,73,446,413.756,3.201,5,0.428,0.69,1.0,0.6792629017887739,0.7793417174970872,0.3381964909875951,0.4440836817216092,0.5602211979987664
EOS-2-40567,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3noc(-c4ccno4)n3)n12,MQBBFTODDYAQJF-UHFFFAOYSA-N,2,1,0.524,73,446,413.756,3.201,5,0.428,0.7,1.0,0.6852083476115414,0.7958159139195394,0.32351278185182647,0.43762422040984167,0.5605403159481872
EOS-2-40568,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1cnc(Cl)nc1,FNHAHMDWUWVAIA-UHFFFAOYSA-N,2,1,0.518,73,526,486.269,4.807,5,0.33,0.61,1.0,0.9197878829415393,0.9117178397642383,0.9129600438626551,0.9307192790076074,0.91879626139401
EOS-2-40569,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2F)cc1Cl,QWXVYYZMSVLIDT-UHFFFAOYSA-N,2,1,0.456,73,756,486.269,4.807,5,0.33,0.66,1.0,0.9142279487355219,0.902979576451237,0.8880302926461517,0.9180487972037558,0.9058216537591666
EOS-2-40570,Fc1cc(Cl)ccc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)nn1,ORFHYCXFHHHHEO-UHFFFAOYSA-N,2,1,0.433,34,691,486.269,4.807,5,0.352,0.7,0.821,0.7489034336234666,0.7750239873894866,0.8661503666643822,0.9202162291823727,0.827573504214927
EOS-2-40571,Fc1cc(-c2ccnc(Cl)n2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cc3F)n12,WYEMLTOXUDUWEB-UHFFFAOYSA-N,2,1,0.473,73,526,486.269,4.807,5,0.33,0.63,1.0,0.8788808169419505,0.8962545404701528,0.8845007196216846,0.9092077307929546,0.8922109519566856
EOS-2-40572,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(F)c(-c4cnc(Cl)nc4)c3)n12,SQMOXVYDAHKBJK-UHFFFAOYSA-N,2,1,0.506,73,89,486.269,4.807,5,0.26,0.58,1.0,0.9496693167020767,0.962553971626345,0.9326639709409911,0.9417449112466589,0.9466580426290179
EOS-2-40573,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nc2)cnc1F,DVGWPGIASFCRLO-UHFFFAOYSA-N,2,1,0.524,73,756,486.269,4.807,5,0.33,0.73,1.0,0.9387379206360085,0.9701014323898294,0.9196936467685559,0.9366904256048249,0.9413058563498047
EOS-2-40574,FC(F)Oc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)cn1,WYCKATNRCTUFKF-UHFFFAOYSA-N,2,1,0.407,96,575,486.269,5.219,5,0.337,0.83,1.0,0.7948564183400727,0.9376070865602083,0.9479387978891097,0.9545952984716606,0.9087494003152629
EOS-2-40575,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)ccc1Cl,UNZOISRNZXYMNO-UHFFFAOYSA-N,2,1,0.402,59,153,486.269,4.807,5,0.33,0.69,1.0,0.721763415804263,0.7668425741895689,0.8688917826057159,0.9115722020423549,0.8172674936604757
EOS-2-40576,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nn2)cc1F,CBLUJRWDXPFGTF-UHFFFAOYSA-N,2,1,0.554,34,146,486.269,4.807,5,0.352,0.68,1.0,0.8550476321019806,0.9738623123843465,0.882221917620451,0.9331094510314577,0.9110603282845591
EOS-2-40577,Fc1cc(-c2cnc(Cl)c(F)n2)cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,RXMXPNMHVLNOMA-UHFFFAOYSA-N,2,1,0.494,59,439,486.269,4.807,5,0.33,0.64,1.0,0.8366630114454116,0.8638715646631485,0.9083767390857378,0.9253649509971901,0.883569066547872
EOS-2-40578,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(F)c(-c4cnnc(Cl)c4)n3)n12,XFVAWOCUNMMGOR-UHFFFAOYSA-N,2,1,0.495,34,10,486.269,4.807,5,0.352,0.7,1.0,0.7666455349187855,0.940425604824892,0.8857600575697347,0.9243883215680899,0.8793048797203755
EOS-2-40579,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)cc1Cl,CFOSDGXGJGBKMT-UHFFFAOYSA-N,2,1,0.449,59,756,486.269,4.807,5,0.33,0.75,1.0,0.8684463025152491,0.9117264066890549,0.8730296072921664,0.9103556987183881,0.8908895038037146
EOS-2-40580,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(Cl)c5)nn4)n23)nc1F,RUZQQIKAMXJMGT-UHFFFAOYSA-N,2,1,0.444,34,691,486.269,4.807,5,0.33,0.75,0.535,0.7397796586937153,0.8348382564594613,0.8927335343705024,0.9264957850729902,0.8484618086491673
EOS-2-40581,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c(Cl)cn2)nn1,YBEKIHDJQDVDFI-UHFFFAOYSA-N,2,1,0.554,59,607,486.269,4.807,5,0.352,0.66,1.0,0.9519823864025769,0.9738708793091632,0.9186570488657392,0.9417534781714756,0.9465659481872387
EOS-2-40582,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5F)n34)cc2Cl)cn1,VDSOVCCEUCPDQH-UHFFFAOYSA-N,2,1,0.489,73,89,486.269,4.807,5,0.33,0.6,0.989,0.9183400726475225,0.9315759714892742,0.9303937358645741,0.9417620450962922,0.9305179562744158
EOS-2-40583,Fc1cc(-c2nccc(COc3cncc4nnc(-c5cc(F)c(Cl)cc5Cl)n34)n2)ccn1,GIGQSYSVTNUFNO-UHFFFAOYSA-N,2,1,0.511,73,577,486.269,4.807,5,0.26,0.69,1.0,0.77496401891577,0.9331951202796245,0.8938043999725859,0.9169436639024056,0.8797268007675965
EOS-2-40584,FC(F)(F)c1cc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)ccc1Cl,TYHQBPXQUNKJPM-UHFFFAOYSA-N,2,1,0.362,83,558,486.284,6.846,5,0.262,0.83,1.0,0.5213059420190529,0.819940374203276,0.9985436227811665,0.9993403467891165,0.834782571448153
EOS-2-40585,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)c(Cl)c5)cc4)n23)cc1,JCZKWJMKDJOXNR-UHFFFAOYSA-N,2,1,0.372,83,558,486.284,6.846,5,0.262,0.77,1.0,0.5267630731272702,0.7621136316907683,0.9986978274278665,0.9994431498869166,0.8217544205332054
EOS-2-40586,Fc1cc(-c2nnc3cncc(OCc4ncnc(-c5csnn5)n4)n23)ccc1Br,AKHZYJXPJBLOMQ-UHFFFAOYSA-N,2,1,0.5,73,839,486.29,2.975,5,0.37,0.66,1.0,0.554776917277774,0.6981272702350764,0.1676375848125557,0.2387173600164485,0.41481478308546366
EOS-2-40587,Brc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)n1,YJHBIOAXXRFMSG-UHFFFAOYSA-N,2,1,0.317,3,158,486.293,3.852,6,0.369,0.65,1.0,0.11724693304091563,0.26100849838941814,0.22511308340758002,0.3293896922760606,0.2331895517784936
EOS-2-40588,COc1ncc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)c(Cl)c5)n(C)n4)n23)cc1F,AKCWSAMVRSMNJY-UHFFFAOYSA-N,2,1,0.415,95,956,486.294,4.834,5,0.351,0.69,0.999,0.45917003632376124,0.5393478856829552,0.770217942567336,0.7685131245288191,0.6343122472757179
EOS-2-40589,Cc1cc(-c2nnc3cncc(OCc4cncc(F)c4-c4ncc(Cl)n4O)n23)ccc1Cl,ZOFCOBDISKLCQQ-UHFFFAOYSA-N,2,1,0.494,16,772,486.294,4.62,5,0.362,0.62,0.604,0.7780909464738538,0.7958244808443561,0.7680933452128024,0.807227057775341,0.7873089575765884
EOS-2-40590,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c(Cl)c2Cl)o1,KTDAACPXEYJPIC-UHFFFAOYSA-N,2,1,0.552,37,669,486.294,4.612,5,0.321,0.67,1.0,0.8137550544856418,0.8577290795695977,0.6683743403467891,0.7135391679802618,0.7633494105955725
EOS-2-40591,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2Cl)n1,CCJRAOVTRYHOAL-UHFFFAOYSA-N,2,1,0.43,73,379,486.298,3.885,5,0.333,0.7,1.0,0.5741810019875265,0.6883866767185252,0.3235213487766431,0.42512507710232333,0.5028035261462545
EOS-2-40592,Cn1nc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)cc1-c1nccc(CF)n1,RTIGQFQUYADZJR-UHFFFAOYSA-N,2,1,0.379,46,980,486.298,3.732,5,0.357,0.68,1.0,0.3822047837708176,0.4088479199506545,0.31627373038174217,0.42513364402714005,0.3831150195325886
EOS-2-40593,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)nc1F,VTBUIDKBBSXRRD-UHFFFAOYSA-N,2,1,0.466,31,773,486.298,3.444,5,0.336,0.59,1.0,0.6453892810636694,0.5923086148995956,0.37983174559660066,0.4661520800493455,0.5209204304023028
EOS-2-40594,CCn1nnc(-c2nc(Cl)ccc2COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1,MEZXCLNDKSGRLB-UHFFFAOYSA-N,2,1,0.534,36,391,486.298,3.885,5,0.333,0.67,1.0,0.6058272222602974,0.7793502844219039,0.2684274552806525,0.4536786375162772,0.5268208998697828
EOS-2-40595,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)cc1Cl,MCGBZPXXVOOBJY-UHFFFAOYSA-N,2,1,0.333,3,641,486.322,5.877,6,0.307,0.75,1.0,0.29533616612980607,0.4890343362346652,0.7632873003906517,0.8544393804399972,0.60052429579878
EOS-2-40596,Clc1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5Cl)o4)n23)cc1-c1ccccc1,LXKHWDFXTNGQAI-UHFFFAOYSA-N,2,1,0.346,93,641,486.322,5.877,6,0.287,0.65,1.0,0.2707490919059694,0.5258121444726201,0.7060345418408608,0.8438420944417792,0.5866094681653073
EOS-2-40597,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)o5)n34)cn2)cc1,XZZJVAHYPQAHEW-UHFFFAOYSA-N,2,1,0.375,3,950,486.322,5.877,6,0.307,0.77,1.0,0.21116612980604482,0.5164484956480022,0.7494774175861832,0.8676067438832157,0.5861746967308615
EOS-2-40598,Clc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(-c4ccc(-c5cnco5)cn4)n23)cc1,JRNZIYKSMQYSCW-UHFFFAOYSA-N,2,1,0.364,32,20,486.322,5.877,6,0.287,0.69,1.0,0.3977280515386197,0.5164570625728189,0.7966983071756563,0.8693972311698992,0.6450701631142486
EOS-2-40599,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)cc2)c1,ZQKDIOQIMJITNG-UHFFFAOYSA-N,2,1,0.392,93,641,486.322,5.877,6,0.287,0.79,1.0,0.2599976012610513,0.5164656294976355,0.768101912137619,0.8723785210060997,0.6042359159756014
EOS-2-40600,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)c(Cl)c1,JKHWVSAOWIUZDR-UHFFFAOYSA-N,2,1,0.354,3,641,486.322,5.877,6,0.307,0.73,1.0,0.2707576588307861,0.5489942430265232,0.7293108765677473,0.8438506613665958,0.5982283599479131
EOS-2-40601,Clc1ccc(-c2cc(-c3nnc4cncc(-c5nc(-c6ccccc6)co5)n34)ccc2Cl)nn1,UKBFLZXMYFDUFQ-UHFFFAOYSA-N,2,1,0.346,30,93,486.322,5.877,6,0.307,0.69,1.0,0.34299396888492906,0.49859502433006647,0.726792200671647,0.8319683366458775,0.60008738263313
EOS-2-40602,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)c1Cl,JULNCPOHGNSWKV-UHFFFAOYSA-N,2,1,0.321,3,158,486.326,4.803,6,0.353,0.75,1.0,0.069991775752176,0.2663713933246522,0.5759800561990268,0.7633815365636352,0.41893119045987254
EOS-2-40603,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)c(-c6ncccn6)c5)n34)cn2)n1,PJNMTVDHIFAJJQ-UHFFFAOYSA-N,2,1,0.349,10,664,486.326,4.803,6,0.33,0.62,0.999,0.04304023027893907,0.292449112466589,0.6132718799259818,0.7214807072853129,0.4175604824892057
EOS-2-40604,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)nc1,AUBPIBYMNQEKKR-UHFFFAOYSA-N,2,1,0.329,30,158,486.326,4.803,6,0.353,0.69,0.999,0.030532520046604072,0.22017853471317936,0.4632221917620451,0.7135477349050785,0.35687024535672673
EOS-2-40605,Clc1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nn2)cc1Cl,WZLKSJCZKOVXRM-UHFFFAOYSA-N,2,1,0.321,10,783,486.326,4.803,6,0.353,0.72,0.979,0.04160098690973888,0.19138510040435885,0.622344253306833,0.7806181892947708,0.4089871324789254
EOS-2-40606,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)n2)cc1,MBCSAVUVHVMDLR-UHFFFAOYSA-N,2,1,0.354,3,289,486.326,4.803,6,0.353,0.77,0.98,0.06596532108834213,0.26637996024946886,0.5883249948598451,0.7322150640805977,0.4132213350695635
EOS-2-40607,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccc6Cl)nc5)n34)nn2)cc1,VLNKMIQCSQBKKM-UHFFFAOYSA-N,2,1,0.308,10,37,486.326,4.803,6,0.353,0.66,1.0,0.02475841272016997,0.20528065245699403,0.5946902199986293,0.7530412583099171,0.3944426358714276
EOS-2-40608,Clc1cc(Cl)cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)c1,JXQRQKVPZQDIEX-UHFFFAOYSA-N,2,1,0.287,30,158,486.326,4.803,6,0.353,0.7,0.859,0.02267664998971969,0.1660612706462888,0.47026420396134605,0.7023850318689603,0.3403467891165787
EOS-2-40609,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)c(Cl)c1,ROOKMVQBTFKKRW-UHFFFAOYSA-N,2,1,0.304,30,158,486.326,4.803,6,0.353,0.78,0.759,0.04304879720375574,0.23050167911726407,0.45283051195942703,0.6967479953395929,0.35578224590500995
EOS-2-40610,Clc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cc(Cl)[nH]n6)cc5)n34)cn2)cn1,XWFMYVNUGHSVNY-UHFFFAOYSA-N,2,1,0.321,42,106,486.326,5.007,6,0.349,0.69,1.0,0.2869662805839216,0.38988074840655196,0.7035158659447605,0.7806267562195874,0.5402474127887054
EOS-2-40611,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5csc(Br)n5)n34)cc2F)cn1,WZLNCBXIBXCBNG-UHFFFAOYSA-N,2,1,0.549,4,554,486.33,4.129,5,0.372,0.75,1.0,0.4788139949283805,0.6111044479473648,0.5425176478651224,0.49980296072921665,0.5330597628675211
EOS-2-40612,Fc1ccc(-c2nnc3cncc(OCc4cn(Cc5cc(Br)cs5)nn4)n23)cc1,QSMRDAXUKRVGQJ-UHFFFAOYSA-N,2,1,0.587,36,32,486.33,3.973,5,0.361,0.76,1.0,0.3661160989651155,0.577213693372627,0.35709512713316427,0.45368720444109384,0.4385280309780001
EOS-2-40613,COc1cc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)n5)ns4)n23)ccc1Cl,HCENLDDCKRNQPY-UHFFFAOYSA-N,2,1,0.457,4,67,486.344,4.599,5,0.321,0.73,1.0,0.6140257693098485,0.7668511411143856,0.3608131725035981,0.4536957713659105,0.5488464635734357
EOS-2-40614,COc1cc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)ns4)n23)ccc1Cl,OADUPXAGAKQMEB-UHFFFAOYSA-N,2,1,0.467,16,67,486.344,4.599,5,0.321,0.75,1.0,0.5686896031800425,0.745074018230416,0.4490267973408265,0.5168083064903023,0.5698996813103968
EOS-2-40615,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1C(F)(F)F,YTXWYNRPCGCHIY-UHFFFAOYSA-N,2,1,0.691,48,64,486.347,5.469,4,0.339,0.81,1.0,0.9943800973202659,0.9949026797340826,0.9998286615036667,0.9994859845109999,0.9971493557672537
EOS-2-40616,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1OC(F)(F)F,CDYBPCYHKJMHLR-UHFFFAOYSA-N,2,1,0.684,48,240,486.347,5.469,4,0.339,0.79,1.0,0.9905506819272154,0.9946285381399493,0.9998372284284833,0.9995630868343499,0.9961448838324996
EOS-2-40617,O=c1nnc(-c2ccc(-c3nnc4cncc(OCc5ncnc(C(F)(F)F)n5)n34)cc2F)c[nH]1,NPVWUUULOKWEOO-UHFFFAOYSA-N,2,1,0.433,27,610,486.349,1.858,5,0.365,0.68,0.995,0.7722226029744363,0.6883952436433418,0.5820197381947776,0.4440922486464259,0.6216824583647454
EOS-2-40618,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cc1Cl,RZDGQWPSDBMCJR-UHFFFAOYSA-N,2,1,0.551,11,275,486.359,5.982,5,0.295,0.81,1.0,0.9565399904050442,0.9532074566513604,0.8997412788705367,0.932355561647591,0.935461071893633
EOS-2-40619,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2Cl)cn1,QYBBTMKOZHNFPX-UHFFFAOYSA-N,2,1,0.536,11,111,486.359,5.982,5,0.276,0.74,1.0,0.9512970324172435,0.9625625385511617,0.9112466588993215,0.9393119045987253,0.941104533616613
EOS-2-40620,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2Cl)ccn1,QZKQEZBZZIJPJJ-UHFFFAOYSA-N,2,1,0.54,11,639,486.359,5.982,5,0.276,0.7,1.0,0.9644986635597286,0.9608491535878281,0.9121461860050716,0.9393204715235419,0.9442036186690426
EOS-2-40621,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(C(F)(F)F)n4)n23)c1,AOMWYMGVBNDVRT-UHFFFAOYSA-N,2,1,0.402,27,223,486.364,3.914,5,0.272,0.62,0.998,0.7001918991158934,0.758018641628401,0.9417620450962922,0.8808426427249675,0.8202038071413885
EOS-2-40622,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccc5C(F)(F)F)nn4)n23)cc1F,HDQWSRANKKWRHW-UHFFFAOYSA-N,2,1,0.421,54,411,486.364,3.914,5,0.345,0.58,0.998,0.6730004797477898,0.7263124528819135,0.9665718593653622,0.9331180179562745,0.824750702487835
EOS-2-40623,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)cc2F)o1,ZRAIBZAMGMWGFS-UHFFFAOYSA-N,2,1,0.505,43,431,486.385,4.766,5,0.317,0.69,1.0,0.9415136042766089,0.9299482557741073,0.9555205263518607,0.8999725858405867,0.9317387430607909
EOS-2-40624,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1Cl,COLWCYJUPZKMEA-UHFFFAOYSA-N,2,1,0.489,37,908,486.388,5.06,5,0.32,0.7,1.0,0.7031817558769105,0.7216691796312795,0.4053183469261874,0.5232163662531698,0.5883464121718868
EOS-2-40625,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5c(Cl)nsc5Cl)n34)c2)cn1,DGLPCAXJBMIJGK-UHFFFAOYSA-N,2,1,0.528,15,545,486.388,5.06,5,0.32,0.61,1.0,0.41734630936878897,0.47124940031526286,0.33475258721129464,0.45038037146186005,0.41843216708930164
EOS-2-40626,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)ccn1,MSIRVLJGMGFTEV-UHFFFAOYSA-N,2,1,0.537,75,329,486.388,4.885,5,0.34,0.71,1.0,0.46857651977246245,0.48031320677129735,0.46323075868686175,0.49660749777259955,0.4771819957508053
EOS-2-40627,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)c1,PMYCILOKMPFATP-UHFFFAOYSA-N,2,1,0.396,18,211,486.388,5.06,5,0.32,0.66,0.995,0.4038962374066205,0.3417774655609622,0.4840826536906312,0.5337108491535878,0.44086680145295043
EOS-2-40628,Fc1ccccc1-c1nnc2cncc(OCc3cnn(Cc4ccc(OC(F)(F)F)cn4)n3)n12,DCCDOHMIRFIDRH-UHFFFAOYSA-N,2,1,0.464,27,51,486.389,3.443,5,0.322,0.6,1.0,0.4762439174833802,0.7216777465560962,0.8278904804331437,0.7633901034884518,0.6973005619902679
EOS-2-40629,Fc1cc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)ccc1-c1nn[nH]n1,YPTLNAOHFMIHSQ-UHFFFAOYSA-N,2,1,0.612,48,40,486.389,3.631,5,0.347,0.75,1.0,0.9302309642930574,0.9332036872044411,0.9467736961140429,0.9012319237886368,0.9278600678500446
EOS-2-40630,Cn1nc(-c2ccc(F)cn2)nc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3F)n12,RYYXWWLJOSGCRP-UHFFFAOYSA-N,2,1,0.5,73,446,486.389,3.44,5,0.322,0.68,0.998,0.6224813241038997,0.834846823384278,0.6463916112672196,0.6589849907477212,0.6906761873757796
EOS-2-40631,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(OC(F)(F)F)c4)n23)cc1,HHAXBYNCFKDINX-UHFFFAOYSA-N,2,1,0.614,43,402,486.389,3.599,5,0.336,0.74,1.0,0.8111849770406415,0.8962631073949695,0.927763689945857,0.8643855801521486,0.8748993386334042
EOS-2-40632,COc1nc(-c2cccnc2F)c(F)c(-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)n1,NNSJQTRPEGMHRC-UHFFFAOYSA-N,2,1,0.261,70,887,486.402,3.042,6,0.332,0.48,0.839,0.46389897882256187,0.39952710575011996,0.17741244602837367,0.18392330888904118,0.30619045987252413
EOS-2-40633,FC(F)n1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)cn1,GNQGAKVELBWJOG-UHFFFAOYSA-N,2,1,0.57,1,138,486.404,5.648,5,0.29,0.79,1.0,0.772231169899253,0.7580272085532177,0.9966931670207663,0.9898824617915153,0.879208501816188
EOS-2-40634,Cn1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(-c2ccc(F)c(F)c2)n1,XXQYSQLFSJZSEE-UHFFFAOYSA-N,2,1,0.566,43,138,486.404,5.068,5,0.325,0.79,1.0,0.7428808854773491,0.8450842985401961,0.9917072167774655,0.9820865602083476,0.8904397402508396
EOS-2-40635,Cc1ncc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c(F)c2)n1C,QQSQSUFCXVEHBR-UHFFFAOYSA-N,2,1,0.524,13,679,486.404,5.59,5,0.31,0.7,1.0,0.9415221712014256,0.9136967993968885,0.9917157837022822,0.9754300596257968,0.9555912034815983
EOS-2-40636,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnc(C(F)F)o6)n5)n34)cc2)c1,SHMLUGKULOENIT-UHFFFAOYSA-N,2,1,0.37,3,594,486.417,5.042,6,0.333,0.72,1.0,0.3233243095058598,0.5118223562470016,0.7190305667877459,0.7480210403673497,0.5755495682269893
EOS-2-40637,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)cc(F)c6)nn5)n34)c(F)c2)o1,PHDTZBLUTKXKPJ-UHFFFAOYSA-N,2,1,0.316,3,923,486.417,4.691,6,0.353,0.68,1.0,0.26544616544445204,0.4669659379069289,0.742289767664999,0.7849273524775546,0.5649073058734837
EOS-2-40638,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5noc(-c6ccccc6)n5)nn4)n23)cc1,VWWULGHNVLKHGS-UHFFFAOYSA-N,2,1,0.338,30,641,486.417,4.984,6,0.343,0.72,1.0,0.3285244328695771,0.4227691727777397,0.873038174216983,0.8339729970529779,0.6145761942293194
EOS-2-40639,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nnn(COC(F)F)n4)n23)ccc1F,UOKZZADKZSSSPZ-UHFFFAOYSA-N,2,1,0.444,36,404,486.418,2.136,5,0.308,0.63,0.897,0.4333578918511411,0.5118309231718182,0.25406072236310057,0.3011274073058735,0.3750942361729833
EOS-2-40640,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6nccc(C(F)F)n6)c5)n34)nc2)nc1,HLBJCYUTRSUPPR-UHFFFAOYSA-N,2,1,0.282,70,151,486.421,3.968,6,0.36,0.72,0.933,0.025795010622986773,0.14669145363580288,0.6338496333356178,0.603154341717497,0.35237260982797614
EOS-2-40641,Cn1cc(-c2cnc(-c3nnc4cncc(-c5ccc(F)c(-c6cnc(F)c(F)c6)n5)n34)cn2)cn1,QKSCEQPXCVBKLX-UHFFFAOYSA-N,2,1,0.261,86,72,486.421,3.523,6,0.348,0.68,0.411,0.15559248852032073,0.24591357686244947,0.6252141731204167,0.6272445343019669,0.41349119320128846
EOS-2-40642,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)no2)c(F)c1,FLKKINROCPQLHM-UHFFFAOYSA-N,2,1,0.458,56,893,486.427,2.748,6,0.354,0.74,1.0,0.6514717976835035,0.5772222602974436,0.2540692892879172,0.20931567404564458,0.42301975532862723
EOS-2-40643,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5cncnc5)n4)n23)nc1F,JXOHFRMQFHZNFG-UHFFFAOYSA-N,2,1,0.315,51,435,486.431,2.023,6,0.302,0.6,0.997,0.36612466588993214,0.3564954423959975,0.02470701117126996,0.024304365704886574,0.19290787129052153
EOS-2-40644,Cn1cnc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)c(F)n5)n34)nn2)n1,XSDBGMOWKZJSSM-UHFFFAOYSA-N,2,1,0.381,53,602,486.431,1.582,6,0.3,0.55,0.061,0.447493317798643,0.32269892399424305,0.025795010622986773,0.025203892810636695,0.20529778630662737
EOS-2-40645,Cn1nnnc1-c1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)c(F)n4)n23)nn1,SYEYFKUYGIKDIO-UHFFFAOYSA-N,2,1,0.398,53,602,486.431,1.582,6,0.3,0.54,0.836,0.44290144609690907,0.33671441299431154,0.028048111849770407,0.035098690973888014,0.21069066547871973
EOS-2-40646,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccc6)o5)n34)cc2)cn1,LESAJOHQNWYMCQ-UHFFFAOYSA-N,2,1,0.489,77,937,486.442,4.679,6,0.32,0.67,1.0,0.4959307107120828,0.5301298745802207,0.6280326913851004,0.5696148310602426,0.5559270269344116
EOS-2-40647,Cn1nc(-c2nnc(-c3ccccc3)o2)cc1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,FYGGNLRCQAUGMR-UHFFFAOYSA-N,2,1,0.539,81,897,486.442,4.099,6,0.346,0.59,0.996,0.6730090466726064,0.7031389212528271,0.4736224384894798,0.4934206017407991,0.5857977520389281
EOS-2-40648,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1,QQVVBTYKBRMZGO-UHFFFAOYSA-N,2,1,0.478,67,807,486.446,3.025,6,0.353,0.69,1.0,0.46858508669727916,0.48032177369611406,0.41964224521965593,0.4284319100815571,0.44924525392365156
EOS-2-40649,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6OC(F)F)n5)n34)cc2)n[nH]1,CGDMPVLNHOKKIR-UHFFFAOYSA-N,2,1,0.358,3,973,486.446,3.734,6,0.378,0.6,1.0,0.19430642176684257,0.3612072510451648,0.4736310054142965,0.47239736824069634,0.37538551161675004
EOS-2-40650,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6ccc(F)c(F)c6)n5)n34)cc2)n1,FLJJCAANNNOJRM-UHFFFAOYSA-N,2,1,0.473,67,807,486.446,3.025,6,0.353,0.66,1.0,0.4333664587759578,0.4937204441093825,0.41211191830580496,0.3997412788705366,0.4347350250154205
EOS-2-40651,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)cn2)cn1,HSJWXMDQZCTYKX-UHFFFAOYSA-N,2,1,0.634,6,104,486.446,3.605,6,0.336,0.68,1.0,0.1089541498183812,0.2767031046535536,0.49413165650058255,0.434831402919608,0.3286550784730313
EOS-2-40652,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nnnn4-c4cc(F)ccc4F)n23)cc1,IDYJYYMCQPQVAJ-UHFFFAOYSA-N,2,1,0.438,34,807,486.446,3.025,6,0.353,0.73,1.0,0.4639075457473785,0.49372901103419914,0.4017202385031869,0.4630508532657117,0.455601912137619
EOS-2-40653,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nnnn4-c4ccc(F)cc4)n23)cc1F,AMMXPSXHWBNKBR-UHFFFAOYSA-N,2,1,0.447,34,807,486.446,3.025,6,0.353,0.7,1.0,0.4861044479473648,0.5301384415050373,0.34560688095401276,0.4125916660955383,0.4436103591254883
EOS-2-40654,Cn1nc(-c2nnc3cncc(OCc4ccc5ccccc5n4)n23)cc1-c1cnc(C(F)F)nn1,COECUXVVBAJESP-UHFFFAOYSA-N,2,1,0.381,53,826,486.446,3.442,6,0.348,0.69,1.0,0.32085703515865943,0.3565040093208142,0.23601021177438147,0.24152731135631553,0.28872464190254266
EOS-2-40655,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2)n1,VOEWANQANQPVFR-UHFFFAOYSA-N,2,1,0.458,71,117,486.446,3.605,6,0.336,0.66,1.0,0.3545079158385306,0.38988931533136867,0.5046347063258173,0.42212665341648964,0.41778964772805155
EOS-2-40656,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)c(OC(F)F)c1,ITPYIIQAOBQDOG-UHFFFAOYSA-N,2,1,0.337,67,642,486.446,3.64,6,0.378,0.69,1.0,0.3080666164073744,0.297477897333973,0.6902199986292921,0.6363940100061681,0.48303963059420185
EOS-2-40657,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)cc4F)n23)c(F)c1,WBSZPNHRVXHUOR-UHFFFAOYSA-N,2,1,0.494,67,745,486.446,3.453,6,0.364,0.68,1.0,0.5241587279830032,0.6392981975190186,0.4806644506887808,0.46616064697416215,0.5275705057912412
EOS-2-40658,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccc(F)c(F)c6)nn5)n34)cn2)cn1,VMJRBIRGWHBUOZ-UHFFFAOYSA-N,2,1,0.53,6,549,486.446,3.025,6,0.353,0.72,1.0,0.22477897333972996,0.3708193406894661,0.5291275443766705,0.4966160646974162,0.4053354807758207
EOS-2-40659,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(F)c(F)c5)nn4)n23)cc1,LGQLCGIXKVZPPI-UHFFFAOYSA-N,2,1,0.609,67,104,486.446,3.025,6,0.353,0.69,1.0,0.2979662120485231,0.43643341786032486,0.46676889863614557,0.472405935165513,0.41839361592762664
EOS-2-40660,c1ccc(-c2nnc(-c3nncc(-c4cncc5nnc(-c6ccc(-c7cnco7)cc6)n45)n3)o2)cc1,XWWRMBDFPUKADR-UHFFFAOYSA-N,2,1,0.321,93,465,486.455,4.015,7,0.347,0.57,0.794,0.19710780618189294,0.1320762798985676,0.16455349187855528,0.21544102528956205,0.17729465081214446
EOS-2-40661,CCOc1cc(-c2nncn2C)ccc1-c1nnc2cncc(Oc3cc(-c4nnnn4C)on3)n12,CZVMXJLEBNYAMQ-UHFFFAOYSA-N,2,1,0.365,36,789,486.456,1.956,6,0.323,0.62,1.0,0.19711637310670962,0.15060653827702009,0.021648619011719553,0.010468782125968062,0.09496007813035433
EOS-2-40662,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cc6ccccc6n5)cc4)n23)cc1,XFHCZCGAFURZIB-UHFFFAOYSA-N,2,1,0.523,79,138,486.457,5.728,6,0.311,0.8,1.0,0.6197570420121993,0.6111130148721815,0.9842025906380646,0.9664090877938455,0.7953704338290727
EOS-2-40663,c1cnc(-c2ccc(-c3nnc4cncc(Oc5ccnc(-c6nnc7cnccn67)n5)n34)cc2)cn1,MGOBFURSMSILLC-UHFFFAOYSA-N,2,1,0.392,80,355,486.459,2.935,7,0.354,0.66,1.0,0.49593927763689943,0.3516037283256802,0.127655746693167,0.14899595641148652,0.2810486772668083
EOS-2-40664,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cc7ccncc7nn6)cc5)n34)on2)cc1,PIVILZQUNMYIOY-UHFFFAOYSA-N,2,1,0.337,69,152,486.47,5.258,7,0.332,0.56,1.0,0.30035638407237336,0.46277671167157836,0.7370553766020149,0.7781937495716538,0.5695955554794051
EOS-2-40665,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(F)nn6)cn5)n34)cc2F)s1,DECPALRGPQBNGE-UHFFFAOYSA-N,2,1,0.341,98,424,486.471,3.81,6,0.366,0.65,1.0,0.23298608731409773,0.3898978822561853,0.2980347474470564,0.3519035706942636,0.3182055719279008
EOS-2-40666,Cc1nc(-c2ncc(F)cn2)c(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)s1,TYELYHQIVOVJMY-UHFFFAOYSA-N,2,1,0.28,86,902,486.471,3.81,6,0.366,0.6,1.0,0.16915393050510588,0.29245767939140566,0.07665684325954356,0.13271023233500104,0.16774467137276403
EOS-2-40667,FC(F)c1cc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc(-c2nncs2)n1,IEIPYMAGZRLIKI-UHFFFAOYSA-N,2,1,0.286,70,977,486.471,4.161,6,0.354,0.63,1.0,0.17450825851552326,0.3126327873346583,0.40532691385100406,0.3810996504694675,0.31839190254266325
EOS-2-40668,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nncn5CF)cc4)n23)n(C)n1,DRTVIQPHLGAECQ-UHFFFAOYSA-N,2,1,0.372,67,789,486.475,2.781,6,0.334,0.56,1.0,0.3912343225275855,0.38493763278733467,0.03792577616338839,0.03611815502707148,0.21255397162634504
EOS-2-40669,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)cc4F)n23)n(C)n1,AKFWJJJTZWAIRA-UHFFFAOYSA-N,2,1,0.364,36,292,486.475,2.53,6,0.348,0.56,1.0,0.42214378726612295,0.534815982454938,0.05253238297580701,0.05001370707970667,0.2648764649441437
EOS-2-40670,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)cc4F)n23)n(C)n1,VWEVUCIVLRTTPK-UHFFFAOYSA-N,2,1,0.333,36,292,486.475,2.828,6,0.376,0.6,1.0,0.4129172092385717,0.4986035912548831,0.05064765951614009,0.0432201357000891,0.25134714892742105
EOS-2-40671,Cn1nc(-c2ccc(OC(F)(F)F)cc2)cc1-c1nnc2cncc(OCCc3cccs3)n12,VRGFOBGMOSCIPZ-UHFFFAOYSA-N,2,1,0.616,15,305,486.479,4.773,5,0.33,0.77,1.0,0.5713796175724762,0.6249828661503667,0.8730467411417997,0.7849359194023713,0.7135862860667535
EOS-2-40672,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4F)n23)c(F)c1,KOHOQLXANSLKNL-UHFFFAOYSA-N,2,1,0.411,83,923,486.482,6.061,6,0.303,0.73,1.0,0.19165067507367556,0.44934377355904326,0.9535072990199438,0.9683966143513124,0.6407245905009937
EOS-2-40673,CCOC(=O)Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(OC)c5)n34)cn2)cn1,CRRZSDQYSDZDPD-UHFFFAOYSA-N,2,1,0.375,92,860,486.492,2.596,5,0.286,0.67,1.0,0.21363340415324514,0.11519087108491535,0.11940579809471592,0.04208073469947228,0.12257770200808717
EOS-2-40674,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)cc2F)s1,ABCZDGQIDXXICG-UHFFFAOYSA-N,2,1,0.541,77,245,486.492,4.386,6,0.338,0.7,1.0,0.8366715783702282,0.7357703378795147,0.4121204852306216,0.3780241244602837,0.590646631485162
EOS-2-40675,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccc(F)cn6)no5)n34)cc2)cs1,MTTHHKFKGNPMKE-UHFFFAOYSA-N,2,1,0.452,40,120,486.492,4.386,6,0.338,0.68,1.0,0.6792714687135906,0.6736172983345898,0.232566307998081,0.23565040093208142,0.45527636899458573
EOS-2-40676,COc1ncc(-c2csc(-c3cncc4nnc(-c5c(-c6ccc(F)cc6)noc5C)n34)n2)cn1,HAYZPGCCNLYRGW-UHFFFAOYSA-N,2,1,0.31,32,750,486.492,4.483,6,0.347,0.7,0.999,0.4173548762936056,0.4227777397025564,0.17425125077102324,0.1813103968199575,0.29892356589678565
EOS-2-40677,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cs1,HISVOVCQHADDNX-UHFFFAOYSA-N,2,1,0.718,79,824,413.506,4.845,5,0.398,0.89,1.0,0.8413319854704955,0.6297032417243507,0.4909447604687821,0.4567284627510109,0.6046771126036597
EOS-2-40678,N#Cc1ccc(Oc2cccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cn5)n34)c2)cc1,KGWHWWQTEYHPAV-UHFFFAOYSA-N,2,1,0.49,17,933,486.495,4.615,6,0.321,0.73,1.0,0.46133746830237815,0.4581334384209444,0.7902902474127887,0.7078507299019944,0.6044029710095264
EOS-2-40679,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6C#N)cn5)n34)cc2)o1,ZSDAFXDPNCKYJA-UHFFFAOYSA-N,2,1,0.553,41,592,486.495,4.662,6,0.33,0.61,1.0,0.5547854842025907,0.5532862723596738,0.6403005277225687,0.516816873415119,0.566297289424988
EOS-2-40680,c1cncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)c3cccn3n2)c1,DGWKCZZPYBQPBO-UHFFFAOYSA-N,2,1,0.429,41,120,486.495,4.735,7,0.332,0.66,1.0,0.3636573915427318,0.389906449181002,0.39457542320608596,0.41260023302035503,0.3901848742375437
EOS-2-40681,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cc(F)nn6)cn5)n34)cc2)s1,OTQPWRVBRNGBQT-UHFFFAOYSA-N,2,1,0.495,71,932,486.496,3.312,6,0.349,0.62,1.0,0.21640052086902886,0.3178072099239257,0.18380337194160784,0.1595761085600713,0.21939680282365842
EOS-2-40682,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5ncccc5F)s4)n23)cn1,HKHDODNZBTUDNP-UHFFFAOYSA-N,2,1,0.438,6,843,486.496,3.218,6,0.349,0.63,1.0,0.4450603111507093,0.5258207113974368,0.06398636145569186,0.08058906175039408,0.27886411143855805
EOS-2-40683,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6cnccn6)cc5F)n34)n(C)n2)s1,CAKBGWQBTKKXNQ-UHFFFAOYSA-N,2,1,0.361,71,622,486.496,3.74,6,0.359,0.62,1.0,0.4404855732986087,0.49373757795901585,0.14571482420670276,0.1490045233363032,0.30723562470015764
EOS-2-40684,Cn1nc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,DRNRXIIWZJVMHA-UHFFFAOYSA-N,2,1,0.436,71,117,486.496,3.218,6,0.349,0.64,1.0,0.3934617229799191,0.4493523404838599,0.17071311082173943,0.17294907819888972,0.2966190631211021
EOS-2-40685,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnc(F)s6)cc5)n34)nn2)cn1,RSHDEBRLYVGFFQ-UHFFFAOYSA-N,2,1,0.443,71,117,486.496,3.312,6,0.349,0.68,1.0,0.3682920978685491,0.3708279076142828,0.18049653896237405,0.1417397710917689,0.26533907888424374
EOS-2-40686,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)nc1,JGOSGULMNXJFKE-UHFFFAOYSA-N,2,1,0.557,56,415,486.496,3.218,6,0.349,0.66,1.0,0.49594784456171614,0.5030069906106504,0.1972277431293263,0.20932424097046123,0.3513767048180385
EOS-2-40687,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccns6)ncc5F)n34)cc2)n[nH]1,QCURWZXTPLZOTG-UHFFFAOYSA-N,2,1,0.447,56,425,486.496,3.516,6,0.375,0.56,1.0,0.6224898910287163,0.5875882393256117,0.1276643136179837,0.12185593859228291,0.36489959564114866
EOS-2-40688,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccc(C#N)nc6)cc5)n34)nc2)cn1,OILWPEJXXPTKEZ-UHFFFAOYSA-N,2,1,0.456,40,518,486.499,3.494,6,0.347,0.7,1.0,0.4861130148721815,0.44936090740867657,0.5323230073332876,0.4376327873346583,0.47635742923720104
EOS-2-40689,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ncnc7[nH]ccc67)nc5)n34)cc2)n1C,AGNZXTDFASQEJM-UHFFFAOYSA-N,2,1,0.264,98,42,486.503,3.291,7,0.397,0.68,1.0,0.13641114385580153,0.15465012679048729,0.08602049208416147,0.09937632787334659,0.11911452265094923
EOS-2-40690,Fc1cncc(CCOc2cncc3nnc(-c4cccc(-c5nc6ccc(F)cc6s5)c4)n23)c1,XRNDWTSLIIPLAG-UHFFFAOYSA-N,2,1,0.521,57,732,486.507,5.363,6,0.315,0.73,1.0,0.8087434034678912,0.8199489411280927,0.7471986155849496,0.7731820985539031,0.7872682646837091
EOS-2-40691,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnn(C5CCOCC5)c4)nc3)n12,VVLHWEGOXKSCDI-UHFFFAOYSA-N,2,1,0.465,65,904,486.511,3.557,6,0.344,0.68,1.0,0.28697484750873825,0.16221472140360496,0.12242135563018298,0.20933280789527792,0.19523593310945103
EOS-2-40692,CC1(O)CC(n2cnnc2-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cc2)C1,XZFQMAYVMYCFNT-UHFFFAOYSA-N,2,1,0.521,15,734,486.511,3.291,6,0.373,0.51,0.993,0.7807638270166541,0.5440339935576726,0.38727640326228496,0.4187769858131725,0.5327128024124461
EOS-2-40693,Cn1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)c1C(F)F,WDCQZCYJUYHZJN-UHFFFAOYSA-N,2,1,0.327,9,598,486.511,5.315,6,0.328,0.59,1.0,0.03432766774038791,0.16222328832842162,0.5727760263175931,0.6064954423959975,0.34395560619560006
EOS-2-40694,Cn1nc(-c2ccc(-c3cccs3)nc2)cc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,LXVIJFFREGXCTP-UHFFFAOYSA-N,2,1,0.357,70,191,486.511,5.315,6,0.328,0.68,0.847,0.11146425878966486,0.31264135425947503,0.6902285655541087,0.6331728462751011,0.43687675621958744
EOS-2-40695,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4cnn(CC5CCOCC5)c4)nc3)n12,KQDYSAQYPJDALC-UHFFFAOYSA-N,2,1,0.391,92,468,486.511,3.59,6,0.344,0.69,1.0,0.27561510520183674,0.11833493249263244,0.11667294907819889,0.23872592694126515,0.1873372284284833
EOS-2-40696,CN1CCCC1c1nccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)n4)n23)n1,WWCMWMYBAQKNQX-UHFFFAOYSA-N,2,1,0.352,31,690,486.515,2.862,6,0.334,0.66,0.998,0.2192875745322459,0.17007059146048933,0.012696182578301693,0.024312932629703243,0.10659182030018503
EOS-2-40697,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc6ccccc56)n34)cc2)ccn1,AVHAUWIZEGCAJT-UHFFFAOYSA-N,2,1,0.354,93,107,413.484,5.982,6,0.358,0.82,1.0,0.25713624837228427,0.2151411829209787,0.8689003495305325,0.8865653485025016,0.5569357823315743
EOS-2-40698,COc1ccc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nncn6C)nn5C)n34)s2)cn1,RFWNYXQICSVGNQ-UHFFFAOYSA-N,2,1,0.305,99,502,486.521,3.245,6,0.349,0.56,0.998,0.2329946542389144,0.1622318552532383,0.06399492838050853,0.03290555822082106,0.12303174902337058
EOS-2-40699,Oc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1,SQKRKVSXIDOAHF-UHFFFAOYSA-N,2,1,0.593,17,403,486.531,6.535,6,0.276,0.75,1.0,0.791986498526489,0.45381570831334384,0.9008721129463367,0.8709564114865328,0.7544076828181756
EOS-2-40700,c1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)cc2)cc1,KIZDPWPUXBXVMR-UHFFFAOYSA-N,2,1,0.706,17,403,486.531,6.955,6,0.232,0.81,1.0,0.8458810225481461,0.634800561990268,0.8927421012953191,0.8579261188403811,0.8078374511685286
EOS-2-40701,COc1cc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)ccc1-c1ccccn1,HDAQHCOFNPIXDG-UHFFFAOYSA-N,2,1,0.473,12,427,486.535,5.503,6,0.294,0.7,1.0,0.6366852854499349,0.3227074909190597,0.6822870262490577,0.5915804262901789,0.5583150572270579
EOS-2-40702,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)cc2)nn1,RPKWNMMYXCMMLA-UHFFFAOYSA-N,2,1,0.56,17,593,486.535,5.928,6,0.276,0.81,1.0,0.6792800356384072,0.4669745048317456,0.7541206908368172,0.6767185251182236,0.6442734391062984
EOS-2-40703,COc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,YCLNTSQHDGMCHH-UHFFFAOYSA-N,2,1,0.511,12,363,486.535,5.503,6,0.294,0.79,1.0,0.4591786032485779,0.3272822287711603,0.7161949146734288,0.630105887190734,0.5331904084709752
EOS-2-40704,COc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,RWNHNZFVFJDSJX-UHFFFAOYSA-N,2,1,0.529,12,427,486.535,5.503,6,0.294,0.78,1.0,0.6941008155712426,0.40431601672263723,0.7422983345898156,0.6391011582482352,0.6199540812829827
EOS-2-40705,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5cccc(-c6cncnc6)c5)n34)cc2)cc1,RBOCBJMZQNNKHH-UHFFFAOYSA-N,2,1,0.62,17,960,486.535,5.662,6,0.274,0.75,1.0,0.6640052086902886,0.507607429237201,0.779735796038654,0.7322236310054143,0.6708930162428894
EOS-2-40706,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cn5)n34)cc2)n1,MRWZMJNFIITLHM-UHFFFAOYSA-N,2,1,0.539,17,960,486.535,5.928,6,0.276,0.8,1.0,0.5060996504694675,0.40885648687547116,0.7084161469398944,0.6186519087108492,0.5605060482489206
EOS-2-40707,c1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(-c6cccnc6)nc5)n34)cc2)cc1,IUXFGPPYRHTMLH-UHFFFAOYSA-N,2,1,0.595,17,960,486.535,5.662,6,0.274,0.78,1.0,0.8507042012199301,0.6249914330751833,0.7084247138647112,0.6562778425056541,0.7100995476663696
EOS-2-40708,c1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccn6)nc5)n34)cc2)cc1,ABHSDRVQYITAON-UHFFFAOYSA-N,2,1,0.617,17,960,486.535,5.662,6,0.274,0.79,1.0,0.8917997395654855,0.6492186964567199,0.6577342197244876,0.6096223699540813,0.7020937564251937
EOS-2-40709,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cc2)cc1,RMRRQLNLBPQBDB-UHFFFAOYSA-N,2,1,0.622,17,593,486.535,5.662,6,0.274,0.77,1.0,0.8483568638201631,0.7172143787266123,0.7423069015146323,0.6911966280583921,0.74976869302995
EOS-2-40710,Cc1cncc(-c2cnccc2COc2cncc3nnc(-c4ccc(-c5ncccc5C)cc4)n23)n1,ZQRGCBRNWZNMMN-UHFFFAOYSA-N,2,1,0.453,40,78,486.539,4.901,6,0.327,0.57,1.0,0.5658453841409088,0.35161229525049686,0.5156003700911521,0.4156329244054554,0.4621727434720033
EOS-2-40711,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)nn5)n34)cn2)s1,GZAZFWPSGGVRPX-UHFFFAOYSA-N,2,1,0.426,6,826,486.546,3.506,6,0.345,0.6,1.0,0.2953447330546227,0.3516208621753136,0.0680470838187924,0.05962579672400795,0.19365961894318415
EOS-2-40712,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cc1,XCSPYEMYKMSNKA-UHFFFAOYSA-N,2,1,0.824,21,47,486.55,6.886,6,0.247,0.84,1.0,0.9912703036118155,0.9931550270714824,0.9456942635871428,0.9493866081831266,0.9698765506133918
EOS-2-40713,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(-c6ccccc6)c5)c4)n23)cc1F,GATMQMCCBDRHQB-UHFFFAOYSA-N,2,1,0.549,21,47,486.55,7.152,6,0.251,0.81,1.0,0.9533873620725104,0.917551915564389,0.9592728394215613,0.9559231718182442,0.9465338222191761
EOS-2-40714,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)cc5)n34)cc2)cc1,ZQHKVVGOCCFSJE-UHFFFAOYSA-N,2,1,0.824,21,47,486.55,6.886,6,0.247,0.84,1.0,0.9912788705366322,0.993163593996299,0.9457028305119595,0.9493951751079432,0.9698851175382085
EOS-2-40715,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)cn1,NJDOFPQYIJGBOG-UHFFFAOYSA-N,2,1,0.471,65,361,413.445,2.481,5,0.4,0.68,1.0,0.3430025358097457,0.24087622507024878,0.13349838941813447,0.09529847166061271,0.20316890548968541
EOS-2-40716,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2C)cn1,REOSTPAJDJAXMW-UHFFFAOYSA-N,2,1,0.448,31,569,413.445,2.307,5,0.417,0.67,1.0,0.292526214789939,0.057595435542457676,0.07666541018436022,0.056670207662257555,0.12086431704475362
EOS-2-40717,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)c2)cn1,ZMQPUNDXTKDXEF-UHFFFAOYSA-N,2,1,0.435,92,36,413.445,2.747,5,0.418,0.65,1.0,0.16104961962853814,0.11519943800973202,0.14572339113151944,0.08059762867521075,0.1256425193612501
EOS-2-40718,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C)cn1,KVURIQWBNQKAPZ-UHFFFAOYSA-N,2,1,0.476,31,569,413.445,2.307,5,0.417,0.75,1.0,0.26545473236926875,0.057604002467274346,0.08844493180727846,0.06426050304982524,0.1189410424234117
EOS-2-40719,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cn2)cn1,ROYIIXAEOPYVLA-UHFFFAOYSA-N,2,1,0.443,92,468,413.445,2.481,5,0.4,0.72,1.0,0.28138064560345416,0.220187101637996,0.08602905900897814,0.06426906997464191,0.16296646905626755
EOS-2-40720,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)n(C)n1,CZILRNSXXOLDLG-UHFFFAOYSA-N,2,1,0.538,65,981,413.445,2.307,5,0.417,0.79,1.0,0.4062607086560208,0.25588547734905076,0.05440853951065725,0.04208930162428894,0.18966100678500444
EOS-2-40721,Cc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)c1,NZXIDAHEJXIMDN-UHFFFAOYSA-N,2,1,0.61,15,447,413.445,2.307,5,0.417,0.76,1.0,0.5160629840312522,0.3995356726749366,0.09076656843259544,0.07895277911041053,0.2713295010622987
EOS-2-40722,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ncn2)cn1,GALSINVCWVANQS-UHFFFAOYSA-N,2,1,0.438,31,194,413.445,2.481,5,0.4,0.69,1.0,0.22478754026454664,0.035921115756288126,0.11076177095469811,0.08227674593927764,0.11343679322870263
EOS-2-40723,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnnc4)n23)cn1,JXQXOSLZASMXAJ-UHFFFAOYSA-N,2,1,0.449,65,981,413.445,2.481,5,0.4,0.63,1.0,0.42688129668974023,0.24088479199506546,0.1457319580563361,0.10565588376396409,0.22978848262627646
EOS-2-40724,Cc1cc(CCOc2cncc3nnc(-c4cc(-c5cncn5C)ncn4)n23)ccn1,YBBUEDJZAPRHGX-UHFFFAOYSA-N,2,1,0.422,31,296,413.445,2.307,5,0.417,0.58,0.941,0.35682955246384757,0.06139915016105819,0.1548300322116373,0.0972688643684463,0.16758189980124732
EOS-2-40725,Cc1ncc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)n5C)c4)n23)cn1,JUJKIBPNJHGQOO-UHFFFAOYSA-N,2,1,0.506,92,250,413.445,2.573,5,0.432,0.74,1.0,0.32333287643067643,0.16606983757110547,0.07883284216297717,0.051195942704406826,0.15485787471729148
EOS-2-40726,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)cn1C,RKPIFTNXGOGAEH-UHFFFAOYSA-N,2,1,0.494,65,361,413.445,2.307,5,0.417,0.64,1.0,0.5630268658762251,0.42718970598314027,0.10819169350969776,0.06761017065314234,0.2915046090055514
EOS-2-40727,Cc1cc(-c2cn(C)cn2)cc(-c2nnc3cncc(OCCc4ccnnc4)n23)n1,NITGVMJHCUTACN-UHFFFAOYSA-N,2,1,0.409,31,466,413.445,2.307,5,0.417,0.59,1.0,0.40390480433143716,0.14300767596463573,0.1519858131725036,0.10369405798094716,0.20064808786238092
EOS-2-40728,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nc(C)nn5C)nc4)n23)ccn1,DWZJXJTXPYRIDG-UHFFFAOYSA-N,2,1,0.466,92,45,413.445,2.573,5,0.432,0.72,1.0,0.30036495099719007,0.1746881639366733,0.07455794667945995,0.04322870262490577,0.14820994105955726
EOS-2-40729,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c5)nn4)n23)cn1,FKYYSMRFKPHGRD-UHFFFAOYSA-N,2,1,0.453,53,44,413.445,2.307,5,0.417,0.67,0.999,0.4221523541909396,0.12540264546638338,0.13992358303063532,0.09332807895277911,0.19520166541018436
EOS-2-40730,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)n(C)n1,FOZDRXWCOCVNBI-UHFFFAOYSA-N,2,1,0.512,65,361,413.445,2.307,5,0.417,0.72,1.0,0.4404941402234254,0.2924662463162223,0.1134517853471318,0.0789613460352272,0.23134337948050165
EOS-2-40731,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cncnc4)n23)c1,DQIQHDLAPUQASO-UHFFFAOYSA-N,2,1,0.557,15,931,413.445,2.481,5,0.4,0.67,1.0,0.3822133506956343,0.17469673086148996,0.07024021657185936,0.06584538414090878,0.1732489205674731
EOS-2-40732,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)nn1C,OLZUPNQCQUQQON-UHFFFAOYSA-N,2,1,0.592,15,361,413.445,2.307,5,0.417,0.69,1.0,0.4663234185456788,0.22549859502433006,0.06209307107120828,0.045884449318072784,0.19994988348982248
EOS-2-40733,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)cn1,KEPNCXWSMKHPLO-UHFFFAOYSA-N,2,1,0.466,65,349,413.445,2.481,5,0.4,0.71,1.0,0.2756236721266534,0.11834349941744911,0.17072167774655608,0.12623363717360017,0.17273062161606467
EOS-2-40734,Cc1cccc(COc2cncc3nnc(-c4cc(-c5cn(C)nc5C)cnn4)n23)n1,YDGBVHWDNUSZQE-UHFFFAOYSA-N,2,1,0.411,53,182,413.445,2.573,5,0.432,0.7,1.0,0.10415667192104722,0.04257761633883901,0.1249485984511,0.07117401137687615,0.08571422452196559
EOS-2-40735,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)c(C)n1,IBIVZOIBCNTINA-UHFFFAOYSA-N,2,1,0.422,92,535,413.445,2.747,5,0.418,0.71,1.0,0.2247961071893633,0.18722157494345829,0.08603762593379481,0.051204509629223495,0.13731495442395997
EOS-2-40736,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5nc(C)nn5C)cc4)n23)cn1,PCDOBDHXDGHXHV-UHFFFAOYSA-N,2,1,0.494,36,320,413.445,2.573,5,0.432,0.75,1.0,0.3233414433554931,0.15061510520183674,0.07024878349667603,0.03828558700568844,0.14562272976492358
EOS-2-40737,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5cncn5C)ncn4)n23)n1,KQWYFYVYBQQZNO-UHFFFAOYSA-N,2,1,0.392,31,194,413.445,2.307,5,0.417,0.67,0.938,0.3614813926392982,0.07644267013912685,0.09521280241244603,0.06264135425947502,0.14894455486258654
EOS-2-40738,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5c(C)noc5C)cn4)n23)cn1,WZEKGKVRXCTUIG-UHFFFAOYSA-N,2,1,0.512,4,205,413.441,3.741,5,0.429,0.81,1.0,0.347714344458913,0.2663885271742855,0.2540778562127339,0.14402714001781922,0.2530519669659379
EOS-2-40739,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(O)cc1,OBQIZFIYCGXHOH-UHFFFAOYSA-N,2,1,0.465,95,493,413.441,2.914,5,0.456,0.75,1.0,0.30308066616407375,0.08674868069357823,0.2906586251799054,0.2591837434034679,0.2349179288602563
EOS-2-40740,CCc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)nc1,QYKXUKYJANDZTJ-UHFFFAOYSA-N,2,1,0.553,58,579,413.441,3.42,5,0.4,0.71,0.994,0.5213145089438695,0.4493694743334932,0.23978822561853197,0.16224042217805495,0.3431781577684874
EOS-2-40741,Cc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5nc(C)no5)c4)n23)c1,CXXVGGZXFYYUJX-UHFFFAOYSA-N,2,1,0.516,15,796,413.441,3.475,5,0.417,0.71,1.0,0.5368206428620382,0.32729079569597697,0.18050510588719074,0.13036289493523404,0.29374485984511
EOS-2-40742,Cc1cncc(CCOc2cncc3nnc(-c4cc(-c5cnc(C)o5)ccn4)n23)c1,ZDBUELDDXLZALC-UHFFFAOYSA-N,2,1,0.425,18,840,413.441,3.475,5,0.417,0.63,1.0,0.4429100130217257,0.1217017339455829,0.27612912069083684,0.18393187581385786,0.25616818586800083
EOS-2-40743,COc1ccc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)cn1,VZJRJUMGBPVZTO-UHFFFAOYSA-N,2,1,0.556,89,22,413.441,3.174,5,0.422,0.79,1.0,0.46633198547049554,0.26639709409910217,0.45958124871496125,0.27125454047015285,0.365891217188678
EOS-2-40744,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)nc2)cn1,KTCPHIPFMXLXEI-UHFFFAOYSA-N,2,1,0.529,89,731,413.441,2.658,5,0.456,0.75,1.0,0.4019087108491536,0.2817318895209376,0.5883335617846618,0.44410081557124254,0.42901874443149884
EOS-2-40745,COc1cccc(COc2cncc3nnc(-c4cccc(-c5ccn(C)n5)c4)n23)n1,KJPGMLVBIFBKAI-UHFFFAOYSA-N,2,1,0.473,4,506,413.441,3.174,5,0.422,0.73,1.0,0.3185868000822425,0.2610170653142348,0.3571036940579809,0.21263964087451168,0.28733680008224244
EOS-2-40746,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(O)cc5)n34)cc2)n1,CAUHYMAJJCXMMY-UHFFFAOYSA-N,2,1,0.644,91,309,413.441,2.914,5,0.456,0.69,1.0,0.6514803646083202,0.4581420053457611,0.35711226098279764,0.27403022411075323,0.43519121376190806
EOS-2-40747,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)c2)cn1,CTYCZRNDVVNKIE-UHFFFAOYSA-N,2,1,0.56,16,256,413.441,2.658,5,0.456,0.77,1.0,0.5267716400520869,0.23051024604208073,0.6403090946473854,0.4998115276540333,0.4743506270988966
EOS-2-40748,COc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccn5C)cn4)n23)cc1,UGYISCLCAVEYOQ-UHFFFAOYSA-N,2,1,0.62,4,248,413.441,3.174,5,0.422,0.74,1.0,0.454715235419094,0.307509766294291,0.40172880542800354,0.25329826605441713,0.3543130182989514
EOS-2-40749,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5)n34)cc2OC)cn1,HSJSXAPOSIMEGM-UHFFFAOYSA-N,2,1,0.345,82,697,413.441,3.271,5,0.437,0.8,1.0,0.13641971078061818,0.04637276403262285,0.5391508464121719,0.3229901994380097,0.2612333801658557
EOS-2-40750,COc1cc(-c2ccncc2)ccc1-c1cncc2nnc(-c3cc(CO)n(C)n3)n12,BZXGYCKRCZIKQC-UHFFFAOYSA-N,2,1,0.294,82,697,413.441,2.755,5,0.472,0.82,0.998,0.10160372832568021,0.06552840792269207,0.3872849701871016,0.3139949283805085,0.21710300870399563
EOS-2-40751,OCCn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccccc4)n23)cc1,HKLNWVQYGDRHEI-UHFFFAOYSA-N,2,1,0.58,43,909,413.441,2.621,5,0.437,0.75,1.0,0.3867966554725516,0.1913936673291755,0.2795987252415873,0.2981118497704064,0.28897522445343016
EOS-2-40752,Cc1cc(CCOc2cncc3nnc(-c4cccc(-c5nc(C)no5)c4)n23)ccn1,JZJWZNBLMDUUCB-UHFFFAOYSA-N,2,1,0.58,15,438,413.441,3.475,5,0.417,0.7,1.0,0.5686981701048591,0.31781577684874235,0.2325748749228977,0.15410184360222054,0.31829766636967993
EOS-2-40753,Cn1ccnc1CCOc1cncc2nnc(-c3ccc(Oc4ccccc4)nc3)n12,DKWCFDYOCJQWRV-UHFFFAOYSA-N,2,1,0.5,15,73,413.441,3.334,5,0.404,0.82,1.0,0.3752398738948667,0.20083441847714345,0.20432115687752725,0.16224898910287164,0.23566110958810227
EOS-2-40754,CCc1nc(-c2nnc3cncc(Oc4ccccc4OC)n23)ccc1-c1cn[nH]c1,OXNMUNWWPYYJAQ-UHFFFAOYSA-N,2,1,0.358,13,374,413.441,3.94,5,0.45,0.63,0.965,0.35921115756288124,0.21514974984579535,0.34185456788431223,0.22688643684463025,0.2857754780344048
EOS-2-40755,C(#Cc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1)c1ccsc1,FMUXIZQNNSBINA-UHFFFAOYSA-N,2,1,0.477,12,285,486.56,5.289,6,0.308,0.63,1.0,0.5445565759714893,0.5824909190596943,0.742315468439449,0.7108662874374615,0.6450573127270236
EOS-2-40756,FC(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)nc1,NRBCXFHACCMISV-UHFFFAOYSA-N,2,1,0.303,76,272,413.438,4.371,5,0.435,0.64,0.659,0.06070522925090809,0.17878315399904052,0.6132804468507984,0.6364025769309849,0.372292851757933
EOS-2-40757,COc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1cocn1,BSEAXRIBOCWCTN-UHFFFAOYSA-N,2,1,0.697,79,955,413.437,4.076,5,0.397,0.74,1.0,0.7428894524021658,0.3417860324857789,0.5883421287094784,0.4630594201905284,0.5340192584469879
EOS-2-40758,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(CO)cc3)n12,VFSXWBWMFDZAGB-UHFFFAOYSA-N,2,1,0.566,1,347,413.437,3.826,5,0.452,0.76,1.0,0.622498457953533,0.42278630662737304,0.4909533273935988,0.43764135425947503,0.493469861558495
EOS-2-40759,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc7ccccc67)cc5)n34)s2)n1,KBLWOYQPORHOGO-UHFFFAOYSA-N,2,1,0.291,93,270,486.564,5.531,7,0.325,0.67,1.0,0.1471197998766363,0.15465869371530394,0.497678363374683,0.5500908094030567,0.3373869165924199
EOS-2-40760,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2)c1,MCDUPUAOCISGAD-UHFFFAOYSA-N,2,1,0.385,9,472,413.431,5.766,5,0.376,0.83,1.0,0.2756322390514701,0.41371393324652184,0.9583733123158111,0.9450260434514427,0.6481863820163114
EOS-2-40761,N#Cc1csc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)n1,TWXGOHCSSOHXQT-UHFFFAOYSA-N,2,1,0.456,4,617,413.426,2.55,5,0.427,0.68,0.998,0.44750188472345964,0.5393564526077719,0.15483859913645398,0.14901309026111986,0.3226775066822013
EOS-2-40762,COc1nc(-c2nccs2)ncc1-c1nnc2cncc(-c3cncc(C#N)c3)n12,XIGOOJDNWFXZLE-UHFFFAOYSA-N,2,1,0.283,82,489,413.426,2.647,5,0.437,0.75,1.0,0.33602049208416146,0.2354190939620314,0.11668151600301556,0.11502809951339867,0.20078730039065176
EOS-2-40763,c1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nccs6)no5)n34)cc2)on1,UYIPSGLKOUTWFS-UHFFFAOYSA-N,2,1,0.319,42,174,413.422,4.225,6,0.423,0.67,1.0,0.14712836680145294,0.20528921938181072,0.29418819820437253,0.3169847851415256,0.24089764238229047
EOS-2-40764,c1ccc(-c2occc2-c2nnc3cncc(-c4nnc(-c5cncs5)o4)n23)cc1,MAUDXVRSKLAFIX-UHFFFAOYSA-N,2,1,0.329,30,371,413.422,4.225,6,0.423,0.58,0.996,0.08676581454321157,0.04995373860598999,0.14574052498115275,0.2237081077376465,0.1265420464670002
EOS-2-40765,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)s2)n1,VVKPGEVGKYJIES-UHFFFAOYSA-N,2,1,0.264,76,126,413.422,4.225,6,0.423,0.61,1.0,0.2054519909533274,0.16607840449592215,0.2646408745116853,0.28013844150503736,0.22907742786649304
EOS-2-40766,CC(c1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cc1)n1ccnc1,MXRLRCVYSLWERM-UHFFFAOYSA-N,2,1,0.646,79,650,486.579,5.886,6,0.268,0.71,1.0,0.6970649715578096,0.4227948735521897,0.8768590226852169,0.8179871153450757,0.703676495785073
EOS-2-40767,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nn5)n4)n23)cc1,HMSOPWXVEQXHKN-UHFFFAOYSA-N,2,1,0.5,1,268,413.416,3.67,5,0.434,0.67,1.0,0.7605201836748681,0.7127253101226784,0.5119165924199849,0.4661692138989788,0.6128328250291275
EOS-2-40768,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)ccn1,TYPXVNLYNBIMGG-UHFFFAOYSA-N,2,1,0.556,75,496,413.416,3.404,5,0.394,0.73,1.0,0.8391988211911452,0.7216863134809129,0.597971352203413,0.5631468028236584,0.6805008224247824
EOS-2-40769,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)nn2)cc1,SCBJKPRUMVEZPG-UHFFFAOYSA-N,2,1,0.477,54,691,413.416,3.67,5,0.434,0.77,0.978,0.5470324172435063,0.5532948392844904,0.542526214789939,0.5367863751627716,0.5449099616201768
EOS-2-40770,Fc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cccnc1,NHAMINKHNBGGMX-UHFFFAOYSA-N,2,1,0.534,11,796,413.416,3.404,5,0.394,0.73,1.0,0.7636556781577685,0.7080563360975944,0.4420190528407923,0.4409224864642588,0.5886633883901035
EOS-2-40771,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nc2)cn1,GWYOPCRVTMPMLW-UHFFFAOYSA-N,2,1,0.54,11,529,413.416,3.404,5,0.394,0.78,1.0,0.7154581591391954,0.7310756630799808,0.4976869302994997,0.4813669385237475,0.6063969227606059
EOS-2-40772,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c1,NKOGESFLPWDCLD-UHFFFAOYSA-N,2,1,0.523,87,304,413.416,3.404,5,0.421,0.77,1.0,0.6882667397710918,0.8348553903090946,0.5356898087862381,0.5232249331779865,0.6455092180111027
EOS-2-40773,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)ccn1,YZXNAHZNECQHJR-UHFFFAOYSA-N,2,1,0.575,11,278,413.416,3.404,5,0.394,0.79,0.999,0.7489120005482832,0.8276677403879104,0.5084127201699677,0.48137550544856417,0.6415919916386813
EOS-2-40774,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,FKHLXRPSXTXRMP-UHFFFAOYSA-N,2,1,0.494,87,529,413.416,3.404,5,0.421,0.8,1.0,0.7217719827290796,0.7263210198067301,0.5084212870947844,0.5168254403399356,0.6183349324926325
EOS-2-40775,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)cn2)cn1,FUNVRXNDGYDISQ-UHFFFAOYSA-N,2,1,0.593,97,282,413.416,3.67,5,0.434,0.79,1.0,0.8641200054828319,0.8002450140497567,0.6520200808717703,0.5852923034747447,0.725419350969776
EOS-2-40776,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)c1,PQQDJOGIURBPLZ-UHFFFAOYSA-N,2,1,0.529,35,76,413.416,3.404,5,0.421,0.78,1.0,0.8988246179151532,0.8885186073607018,0.5759886231238435,0.5597971352203414,0.73078224590501
EOS-2-40777,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)nn3)n12,NVAVLWFKWLCIED-UHFFFAOYSA-N,2,1,0.63,19,691,413.416,3.404,5,0.421,0.79,1.0,0.7154667260640121,0.7263295867315468,0.5084298540196012,0.540153176615722,0.6225948358577206
EOS-2-40778,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)cc4)n23)nn1,SFMXBBWPBBFOCP-UHFFFAOYSA-N,2,1,0.53,72,22,413.416,3.67,5,0.434,0.76,1.0,0.712271263107395,0.6931156192173258,0.5084384209444178,0.47824001096566376,0.5980163285587007
EOS-2-40779,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)cn1,PKPBYGBEQPQJLF-UHFFFAOYSA-N,2,1,0.581,11,796,413.416,3.404,5,0.394,0.77,1.0,0.8366801452950449,0.8665358782811322,0.5012593379480502,0.4753786580768967,0.669963504900281
EOS-2-40780,Fc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)c1,YKPOKHACFAIOGS-UHFFFAOYSA-N,2,1,0.536,2,419,413.416,3.404,5,0.421,0.75,1.0,0.8087519703927079,0.740430744979782,0.6307912411760674,0.6215646631485162,0.7003846549242684
EOS-2-40781,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c1,MKFIBAMKLUFOCO-UHFFFAOYSA-N,2,1,0.583,19,691,413.416,3.404,5,0.421,0.86,1.0,0.7546689740250839,0.7263381536563636,0.5119251593448015,0.5437427181139058,0.6341687512850387
EOS-2-40782,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)nn1,VOWKHCRWMOYOHJ-UHFFFAOYSA-N,2,1,0.512,72,22,413.416,3.67,5,0.434,0.73,1.0,0.7337999451716811,0.6784918785552738,0.5356983757110547,0.49662463162223286,0.6111537077650606
EOS-2-40783,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nn1,HQRBDPNGKVHHMH-UHFFFAOYSA-N,2,1,0.612,72,848,413.416,3.404,5,0.421,0.73,1.0,0.8316684942772942,0.7958330477691727,0.4632393256116784,0.45370433829072715,0.6361113014872181
EOS-2-40784,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nc1,DAIFMCHHXYHTHW-UHFFFAOYSA-N,2,1,0.495,11,162,413.416,3.404,5,0.421,0.75,1.0,0.7489205674730999,0.7263467205811802,0.4384466451922418,0.4376499211842917,0.5878409636077033
EOS-2-40785,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,LKGSZHHGGCBWGG-UHFFFAOYSA-N,2,1,0.511,35,846,413.416,3.404,5,0.421,0.77,1.0,0.7278716331985471,0.712733877047495,0.4976954972243164,0.49982009457884996,0.6095302755123021
EOS-2-40786,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)cn1,XMDJFWXRXFXUFQ-UHFFFAOYSA-N,2,1,0.53,2,419,413.416,3.404,5,0.394,0.79,1.0,0.7836080460557878,0.7922520731958056,0.6307998081008841,0.6031629086423137,0.7024557089986978
EOS-2-40787,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)cn1,JPAYZBOKVJJOJV-UHFFFAOYSA-N,2,1,0.582,24,583,413.416,3.404,5,0.394,0.7,1.0,0.8748457953533,0.7450825851552326,0.5222054691248029,0.48736378589541496,0.6573744088821876
EOS-2-40788,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cn1,XATOWFBOELLRRG-UHFFFAOYSA-N,2,1,0.518,35,76,413.416,3.404,5,0.394,0.79,1.0,0.906749023370571,0.8938215338222192,0.5788756767870605,0.5437512850387225,0.7307993797546433
EOS-2-40789,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cncnc3)n12,TXVGIFKHCUGKLU-UHFFFAOYSA-N,2,1,0.573,35,361,413.416,3.404,5,0.421,0.74,1.0,0.8954835172366528,0.8913456925502021,0.6308083750257008,0.6301144541155507,0.7619380097320266
EOS-2-40790,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c1,BWGMOPLIMPMNNJ-UHFFFAOYSA-N,2,1,0.533,35,76,413.416,3.404,5,0.421,0.79,1.0,0.8935987937769858,0.8913542594750189,0.5727845932424097,0.5567301761359742,0.7286169556575972
EOS-2-40791,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)n1,QRHXDCLOPXXAEQ-UHFFFAOYSA-N,2,1,0.603,75,583,413.416,3.404,5,0.394,0.75,1.0,0.8162565965321088,0.6884038105681585,0.5459444177917895,0.5066650675073675,0.6393174730998561
EOS-2-40792,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(F)c5)nc4)n23)cc1,VOBRRJCFBKCJHG-UHFFFAOYSA-N,2,1,0.55,16,770,413.416,3.67,5,0.434,0.69,1.0,0.9479473648139264,0.827676307312727,0.5820283051195942,0.5337194160784045,0.7228428483311631
EOS-2-40793,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,QMDUTMLDSZTRQA-UHFFFAOYSA-N,2,1,0.54,24,56,413.416,3.404,5,0.421,0.75,1.0,0.8111935439654582,0.8609759440751148,0.4490353642656432,0.4503889383866767,0.6428984476732232
EOS-2-40794,Cc1cncc(COc2cncc3nnc(-c4cncc(-c5ccc(F)cn5)c4)n23)c1,JOFHVIYMFDQGIY-UHFFFAOYSA-N,2,1,0.455,2,422,413.416,3.67,5,0.434,0.71,1.0,0.751884723459667,0.6014495236789802,0.6546929614145707,0.5974659036392297,0.6513732780481118
EOS-2-40795,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cn2)cn1,ULEIPYHMDVQPJG-UHFFFAOYSA-N,2,1,0.573,97,879,413.416,3.67,5,0.406,0.81,1.0,0.8059163182783908,0.6931241861421424,0.6577427866493044,0.559805702145158,0.6791472483037488
EOS-2-40796,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cncnc1,FBUUUMJYZWYAMO-UHFFFAOYSA-N,2,1,0.605,35,494,413.416,3.404,5,0.421,0.69,1.0,0.9397316839147419,0.9213299294085395,0.6875214173120416,0.6648790350215886,0.8033655164142279
EOS-2-40797,Fc1cncc(CCOc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)c1,YBVBTSBGZOLQOF-UHFFFAOYSA-N,2,1,0.558,35,215,413.416,3.404,5,0.421,0.68,1.0,0.8162651634569255,0.7709461311767528,0.6547015283393873,0.6391097251730519,0.7202556370365294
EOS-2-40798,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nc1,OSPBXMCLPFAHOD-UHFFFAOYSA-N,2,1,0.588,72,889,413.416,3.404,5,0.421,0.79,1.0,0.9397402508395586,0.9076142827770544,0.5425347817147557,0.5302583784524707,0.7300369234459597
EOS-2-40799,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)cc1,XGUFLLWJKQFJNV-UHFFFAOYSA-N,2,1,0.598,72,386,413.416,3.404,5,0.421,0.66,1.0,0.8243180727845932,0.8381793571379618,0.5916061270646289,0.612903502158865,0.7167517647865123
EOS-2-40800,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)ccn1,MHIROKOJVHBESM-UHFFFAOYSA-N,2,1,0.5,35,76,413.416,3.404,5,0.394,0.71,1.0,0.8162737303817422,0.7263552875059969,0.5788842437118772,0.5500993763278733,0.6679031594818724
EOS-2-40801,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,YACPZUYKQWAYEW-UHFFFAOYSA-N,2,1,0.536,35,393,413.416,3.404,5,0.421,0.75,1.0,0.739788225618532,0.7357789048043314,0.5759971900486601,0.5598142690699747,0.6528446473853745
EOS-2-40802,CC(O)(c1cc(F)ccn1)c1cncc2nnc(-c3ccccc3-c3cnccn3)n12,QPRJJPCDNTZFMF-UHFFFAOYSA-N,2,1,0.33,14,81,413.416,3.038,5,0.483,0.55,1.0,0.3233500102803098,0.4318501130834076,0.7702265094921527,0.6648876019464053,0.5475785587005688
EOS-2-40803,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cn1,YTRHJKVHPKUDOS-UHFFFAOYSA-N,2,1,0.518,35,76,413.416,3.404,5,0.394,0.78,1.0,0.9067575902953876,0.8885271742855184,0.5820368720444109,0.5468011102734562,0.7310306867246934
EOS-2-40804,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,PVUGNPXUCWBVMC-UHFFFAOYSA-N,2,1,0.471,18,840,413.416,3.404,5,0.394,0.8,1.0,0.7122798300322116,0.6492272633815366,0.6104105270372148,0.5791412514563772,0.6377647179768351
EOS-2-40805,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cn1,ULAQBJYYJDVABP-UHFFFAOYSA-N,2,1,0.483,35,529,413.416,3.404,5,0.394,0.77,1.0,0.8413405523953121,0.7750325543143033,0.5727931601672264,0.55010794325269,0.6848185525323829
EOS-2-40806,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)n1,FPABKUDZGCTBMI-UHFFFAOYSA-N,2,1,0.548,55,109,413.416,3.67,5,0.434,0.71,1.0,0.8217651291892263,0.7537865807689672,0.5820454389692276,0.5468096771982729,0.6761017065314234
EOS-2-40807,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)nc1,RXLHYVGHZHJOGO-UHFFFAOYSA-N,2,1,0.654,84,166,413.416,3.404,5,0.421,0.77,1.0,0.9035792611884038,0.8858371598930848,0.41596703447330546,0.4187855527379892,0.6560422520731958
EOS-2-40808,Fc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cncnc1,JUSCWSGSMKJBCD-UHFFFAOYSA-N,2,1,0.627,87,215,413.416,3.404,5,0.421,0.68,1.0,0.916883695428689,0.8858457268179014,0.6075063395243643,0.5882821602357617,0.7496294805016792
EOS-2-40809,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2)nn1,WTMMLIQTLMXBOK-UHFFFAOYSA-N,2,1,0.585,72,22,413.416,3.67,5,0.434,0.75,1.0,0.6197656089370159,0.6638253032691385,0.5820540058940443,0.5337279830032212,0.599843225275855
EOS-2-40810,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,NWNAOJZBKPAOPY-UHFFFAOYSA-N,2,1,0.576,15,922,413.416,3.404,5,0.421,0.68,1.0,0.9377869919813584,0.907622849701871,0.6194486327187992,0.6065040093208142,0.7678406209307107
EOS-2-40811,Fc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1cncnc1,OJLYKOMDORSFMF-UHFFFAOYSA-N,2,1,0.612,11,494,413.416,3.404,5,0.421,0.69,1.0,0.8936073607018025,0.9005722705777535,0.6132890137756151,0.6003872250017134,0.751963967514221
EOS-2-40812,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)c1,LRKHXHSJOPJZLZ-UHFFFAOYSA-N,2,1,0.473,19,691,413.416,3.404,5,0.421,0.8,0.769,0.7338085120964979,0.6833921595504078,0.38729353711191833,0.44748475087382633,0.5629947399081626
EOS-2-40813,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)ccn1,NNLLHPOXLYUSGV-UHFFFAOYSA-N,2,1,0.539,35,393,413.416,3.404,5,0.394,0.83,1.0,0.8005962579672401,0.8665444452059489,0.6194571996436159,0.5757830169282434,0.715595229936262
EOS-2-40814,Cc1ncc(COc2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)cn1,ILVHBPMWORCERZ-UHFFFAOYSA-N,2,1,0.524,97,232,413.416,3.67,5,0.434,0.71,1.0,0.8087605373175245,0.7357874717291482,0.5257436090740868,0.49982866150366667,0.6425300699061065
EOS-2-40815,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)c1,LDPCKLWRRQZPPD-UHFFFAOYSA-N,2,1,0.551,87,307,413.416,3.404,5,0.421,0.69,1.0,0.7666541018436023,0.6785004454800905,0.5084469878692345,0.5098176958399013,0.6158548077582071
EOS-2-40816,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cncnc1,UNNBXJCEPTXFOS-UHFFFAOYSA-N,2,1,0.617,35,234,413.416,3.404,5,0.421,0.7,1.0,0.9183486395723391,0.9029881433760537,0.6822955931738743,0.6534079226920705,0.7892600747035844
EOS-2-40817,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,WKZLNLUBWFRSCM-UHFFFAOYSA-N,2,1,0.568,35,215,413.416,3.404,5,0.421,0.7,1.0,0.9470906723322596,0.9158042629017887,0.6712699609348228,0.6448923994243027,0.7947643238982934
EOS-2-40818,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)nc1,YMIRSNHDVTZZLM-UHFFFAOYSA-N,2,1,0.565,87,419,413.416,3.404,5,0.421,0.8,1.0,0.7428980193269824,0.7750411212391201,0.5659481872387088,0.5631553697484751,0.6617606743883215
EOS-2-40819,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cn1,HVKNZVDIVZCQAR-UHFFFAOYSA-N,2,1,0.531,24,56,413.416,3.404,5,0.394,0.75,1.0,0.8808426427249675,0.8913628263998356,0.5119337262696183,0.4782485778904804,0.6905969433212255
EOS-2-40820,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)nc4)n23)cc1,MXMDZUZOTUPMBX-UHFFFAOYSA-N,2,1,0.608,89,770,413.416,3.67,5,0.434,0.77,1.0,0.9488897265437598,0.7537951476937839,0.5357069426358714,0.4753872250017134,0.6784447604687821
EOS-2-40821,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)c1,JVZBWEXQZNJYPN-UHFFFAOYSA-N,2,1,0.54,19,159,413.416,3.404,5,0.421,0.78,1.0,0.6484476732232198,0.5533034062093071,0.6370536632170516,0.6364111438558016,0.618803971626345
EOS-2-40822,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2)c1,MRCDTUIUNABBRH-UHFFFAOYSA-N,2,1,0.528,19,691,413.416,3.404,5,0.421,0.82,0.992,0.6730176135974231,0.6834007264752244,0.4053354807758207,0.45996676033171136,0.5554301452950449
EOS-2-40823,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ncn2)cc1,OJSXNXKLGGTRDH-UHFFFAOYSA-N,2,1,0.516,44,130,413.416,3.404,5,0.421,0.8,0.998,0.7122883969570283,0.6589678568980879,0.4667774655609622,0.4934291686656158,0.5828657220204236
EOS-2-40824,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)cc1,PGMVWNNCGKDWJS-UHFFFAOYSA-N,2,1,0.53,35,795,413.416,3.404,5,0.421,0.76,1.0,0.7186793228702625,0.7879686107874717,0.47697210609279694,0.5200894386950861,0.6259273696114043
EOS-2-40825,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,DQPMQMCADXZCJG-UHFFFAOYSA-N,2,1,0.539,24,56,413.416,3.404,5,0.421,0.74,1.0,0.8954920841614694,0.8858542937427181,0.504643273250634,0.49043074497978206,0.6941050990336509
EOS-2-40826,Fc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cncnc1,HNUXPVLASDNVOY-UHFFFAOYSA-N,2,1,0.62,35,494,413.416,3.404,5,0.421,0.72,1.0,0.9035878281132205,0.9175604824892056,0.7136591049276951,0.6827325063395243,0.8043849804674114
EOS-2-40827,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccn2)nc1,CPXHNNQEIGXBRW-UHFFFAOYSA-N,2,1,0.607,24,583,413.416,3.404,5,0.421,0.72,1.0,0.8189723116989925,0.7127424439723117,0.4562658488109108,0.447493317798643,0.6088684805702145
EOS-2-40828,Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)n1,MPLFTDIWHMDTKX-UHFFFAOYSA-N,2,1,0.456,46,267,413.416,3.67,5,0.434,0.75,1.0,0.5111884038105682,0.43185868000822425,0.5084555547940511,0.4567370296758276,0.47705991707216777
EOS-2-40829,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cn1,IOBDHAYFUYBKES-UHFFFAOYSA-N,2,1,0.517,11,384,413.416,3.404,5,0.394,0.75,1.0,0.8483654307449798,0.7793588513467206,0.5046518401754506,0.4813840723733809,0.6534400486601329
EOS-2-40830,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4F)n23)cn1,PQKIFJWCKXVWNY-UHFFFAOYSA-N,2,1,0.605,97,817,413.416,3.67,5,0.434,0.74,1.0,0.8292954561030772,0.7450911520800494,0.7320351586594476,0.6534164896168871,0.7399595641148653
EOS-2-40831,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cn1,CVCROVQVRCPPNR-UHFFFAOYSA-N,2,1,0.588,35,215,413.416,3.404,5,0.394,0.73,1.0,0.9496778836268933,0.9285604139538072,0.6768898636145569,0.6331814131999177,0.7970773935987938
EOS-2-40832,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)n1,IPZJXQSUZBWPML-UHFFFAOYSA-N,2,1,0.446,19,848,413.416,3.404,5,0.394,0.81,0.984,0.7094184771434446,0.6589764238229046,0.35341134946199715,0.4058066616407374,0.531903228017271
EOS-2-40833,Fc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccccn1,YKAYTCUPSTYHGH-UHFFFAOYSA-N,2,1,0.54,11,769,413.416,3.404,5,0.394,0.7,0.999,0.7309214584332808,0.6981358371598931,0.36458261942293196,0.36825783016928243,0.5404744362963471
EOS-2-40834,Fc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1ccncc1,YOBVOEAAURBVRD-UHFFFAOYSA-N,2,1,0.593,35,234,413.416,3.404,5,0.421,0.74,1.0,0.9081454321156878,0.8779555890617504,0.6631485162086218,0.6534250565417038,0.775668648481941
EOS-2-40835,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)cn1,ISLCUUBIJOKPLL-UHFFFAOYSA-N,2,1,0.649,84,56,413.416,3.404,5,0.394,0.77,1.0,0.8550561990267973,0.8779641559865671,0.5425433486395723,0.4998372284284833,0.6938502330203551
EOS-2-40836,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5F)cn4)n23)nc1,SJNRYMXSSCMLPZ-UHFFFAOYSA-N,2,1,0.483,46,119,413.416,3.67,5,0.434,0.66,1.0,0.6084487012541978,0.6062384346514975,0.6104190939620314,0.5532605715852238,0.5945917003632376
EOS-2-40837,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)ccn1,WFXCAIQDVNYWIC-UHFFFAOYSA-N,2,1,0.533,35,76,413.416,3.404,5,0.394,0.77,1.0,0.9035963950380371,0.8962716743197862,0.5946987869234459,0.5567387430607909,0.737826399835515
EOS-2-40838,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2)cc1,GSWQWBDJVGNSOC-UHFFFAOYSA-N,2,1,0.54,19,691,413.416,3.404,5,0.421,0.82,0.993,0.7546775409499006,0.745099719004866,0.41965081214447264,0.47241450209032965,0.5979606435473922
EOS-2-40839,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,NKPIGZXJDMFGFE-UHFFFAOYSA-N,2,1,0.461,18,840,413.416,3.404,5,0.394,0.78,1.0,0.7458878760879994,0.6348091289150847,0.5788928106366938,0.5567473099856076,0.6290842814063464
EOS-2-40840,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4F)n23)cn1,BLFPUQNKCSKGBP-UHFFFAOYSA-N,2,1,0.536,97,770,413.416,3.67,5,0.434,0.77,1.0,0.8437478582687958,0.8082979233774245,0.6370622301418682,0.5567558769104243,0.7114659721746281
EOS-2-40841,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6cnn(C)c6)n5)n34)cc2)cs1,JNEHCVAXXICUQY-UHFFFAOYSA-N,2,1,0.489,81,609,486.586,4.659,6,0.338,0.68,1.0,0.2707662257556028,0.31782434377355906,0.19034850250154203,0.13703652936741828,0.22899390034953052
EOS-2-40842,COc1cc(-c2nnsc2C)ccc1-c1cncc2nnc(-c3ccc(-c4cc(C)[nH]n4)s3)n12,FTAWRSMCFLQIDH-UHFFFAOYSA-N,2,1,0.255,76,272,486.586,5.054,6,0.363,0.55,0.192,0.08677438146802824,0.09291686656157906,0.19035706942635872,0.15164313617983688,0.1304228634089507
EOS-2-40843,Oc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)c1,OIYRHXLFLPWDAA-UHFFFAOYSA-N,2,1,0.554,1,709,413.412,4.277,5,0.463,0.76,1.0,0.9692447399081625,0.8577376464944144,0.852768830100747,0.8220478377081762,0.8754497635528751
EOS-2-40844,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)nc1,AUPZCQNOSNQDOV-UHFFFAOYSA-N,2,1,0.633,79,881,413.412,4.697,5,0.402,0.81,1.0,0.8507127681447467,0.8002535809745733,0.8133010074703585,0.7849444863271879,0.8123029607292167
EOS-2-40845,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccnc(C#N)c4)n23)n(C)n1,XDRRMBZBGUDLDQ-UHFFFAOYSA-N,2,1,0.344,36,292,413.405,1.862,5,0.422,0.55,1.0,0.2732249331779864,0.23542766088684805,0.04546467000205606,0.03709478445617161,0.14780301213076555
EOS-2-40846,COc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cnncn4)n23)cn1,DCSJHDKPGVRCRG-UHFFFAOYSA-N,2,1,0.436,7,617,413.401,2.021,5,0.408,0.68,0.996,0.3568381193886642,0.25589404427386747,0.15199438009732028,0.09333664587759578,0.21451579740936194
EOS-2-40847,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)ccc1=O,SNAHQLKYXQPXOE-UHFFFAOYSA-N,2,1,0.409,7,85,413.401,1.316,5,0.419,0.63,1.0,0.32086560208347614,0.17007915838530602,0.08604619285861147,0.06427763689945858,0.16031714755671303
EOS-2-40848,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cn2)cn1,IRSGNNUKPJLNFX-UHFFFAOYSA-N,2,1,0.44,92,903,413.401,2.021,5,0.408,0.69,1.0,0.41736344321842234,0.3178329106983757,0.12767288054280035,0.06585395106572545,0.23218079638133096
EOS-2-40849,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(=O)[nH]n5)nc4)n23)nc1,MEQOCZIJFGPUCA-UHFFFAOYSA-N,2,1,0.389,55,283,413.401,1.614,5,0.455,0.67,0.998,0.47882256185319716,0.33176273045027754,0.09522136933726269,0.06938352409019258,0.24379754643273246
EOS-2-40850,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cncnc5)n34)cn2)ccc1=O,QBLPPEVWOVZPQM-UHFFFAOYSA-N,2,1,0.418,55,283,413.401,1.316,5,0.419,0.66,0.962,0.4107155095606881,0.21017236652731136,0.11669008292783223,0.08766534164896168,0.20631082516619834
EOS-2-40851,COc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)cn1,CLAGXDAYDBOAFT-UHFFFAOYSA-N,2,1,0.416,92,119,413.401,2.021,5,0.408,0.65,1.0,0.3890754574737852,0.22550716194914674,0.1838119388664245,0.10782331574258104,0.22655446850798436
EOS-2-40852,Cn1nc(-c2ccc(C#N)cc2)cc1-c1cncc2nnc(-c3ccc(F)cc3F)n12,UHUJZVWJEWNQPQ-UHFFFAOYSA-N,2,1,0.434,96,730,413.391,4.009,5,0.446,0.78,1.0,0.23023610444794737,0.49861215817969984,0.8997498457953533,0.9148790350215886,0.6358692858611473
EOS-2-40853,Fc1ccc(-c2nnc3cncc(OCc4nnc(C5CCCNC5)o4)n23)cc1F,JWQTWGUYWKFFRJ-UHFFFAOYSA-N,2,1,0.5,90,636,413.388,2.498,5,0.532,0.65,0.991,0.3636659584675485,0.15466726064012062,0.026840175450620247,0.13704509629223494,0.17055462271263108
EOS-2-40854,N#Cc1cncc(COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)c(F)n4)n23)c1,JMWTVCMOVCDWOK-UHFFFAOYSA-N,2,1,0.381,46,62,413.376,2.561,5,0.435,0.67,1.0,0.7338170790213145,0.5923171818244123,0.652028647796587,0.6129120690836817,0.6477687444314989
EOS-2-40855,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cn4)n23)c(F)c1,OXGHUXQGPVTCGI-UHFFFAOYSA-N,2,1,0.489,4,677,413.376,2.357,5,0.431,0.75,1.0,0.3454269755328627,0.5030155575354671,0.6223528202316496,0.5882907271605784,0.5147715201151395
EOS-2-40856,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(F)nn5)cn4)n23)cc1,KGQCXCYLOIJYHN-UHFFFAOYSA-N,2,1,0.529,4,731,413.376,2.357,5,0.431,0.67,1.0,0.40626927558083753,0.5076159961620177,0.5493112192447399,0.5136471112329518,0.4942109005551367
EOS-2-40857,N#Cc1ccc(-c2nnc3cncc(OCc4ncnn4-c4ccc(F)cc4)n23)cn1,CQPMPWQBIJEHOQ-UHFFFAOYSA-N,2,1,0.458,4,975,413.376,2.357,5,0.431,0.71,1.0,0.417372010143239,0.48904290315948185,0.41212905215543827,0.43765848810910835,0.4390506133918169
EOS-2-40858,N#Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccnc(F)c5)n4)n23)cc1,DSTMTRVYDSJKNZ-UHFFFAOYSA-N,2,1,0.495,36,975,413.376,2.357,5,0.403,0.66,1.0,0.544565142896306,0.5393650195325885,0.4840912206154479,0.4782571448152971,0.5115696319649099
EOS-2-40859,N#Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)nc5)n4)n23)cc1,UOBHOQWFLGCGSU-UHFFFAOYSA-N,2,1,0.495,36,975,413.376,2.357,5,0.403,0.62,1.0,0.5824395175107944,0.5490028099513399,0.48409978754026456,0.48139263929819753,0.5242336885751491
EOS-2-40860,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnco5)ccc4F)n23)cc1,WDRNOJJNQCXHOZ-UHFFFAOYSA-N,2,1,0.549,43,909,413.372,3.431,5,0.43,0.75,1.0,0.94968645055171,0.9076314166266877,0.8332705092180112,0.8008961003358235,0.872871119183058
EOS-2-40861,N#Cc1cc(F)cc(-c2nnc3cncc(OCc4ccc(-c5cnoc5)cn4)n23)c1,LJZIQVOHIHUFSV-UHFFFAOYSA-N,2,1,0.633,97,744,413.372,3.431,5,0.43,0.7,1.0,0.6140343362346652,0.625,0.820428688917826,0.7826571174011376,0.7105300356384072
EOS-2-40862,N#Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ccco5)ncc4F)n23)cc1,YXHQQVNBTRDSNN-UHFFFAOYSA-N,2,1,0.511,89,731,413.372,3.431,5,0.43,0.72,1.0,0.9426872729764924,0.8609845109999315,0.5760057569734768,0.5664022342539922,0.7365199438009732
EOS-2-40863,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnco5)c4)n23)cc1,DGTWPNFKNXZHQR-UHFFFAOYSA-N,2,1,0.603,43,909,413.372,3.431,5,0.43,0.77,1.0,0.9711294633678295,0.9117349736138716,0.822416215475293,0.789690562675622,0.873742803783154
EOS-2-40864,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cncs5)n4)n23)cc1F,IIBUBISTNHDOMC-UHFFFAOYSA-N,2,1,0.531,73,756,413.369,3.155,5,0.433,0.68,1.0,0.7546861078747172,0.7310842300047975,0.34968473716674664,0.4126087999451717,0.5620159687478582
EOS-2-40865,N#Cc1ccc(F)cc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,MIPTWEHMIOITEI-UHFFFAOYSA-N,2,1,0.627,48,240,413.334,4.4,4,0.464,0.78,1.0,0.9958793091631828,0.9870896443012817,0.9984579535329998,0.997010143238983,0.9946092625591118
EOS-2-40866,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)no1,SDAPNXOFWLWDDG-UHFFFAOYSA-N,2,1,0.386,50,542,413.323,2.656,5,0.444,0.81,1.0,0.2654632992940854,0.31784147762319237,0.7084332807895278,0.6589935576725379,0.48768290384483587
EOS-2-40867,FC(F)OCc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c(Cl)n1,LVSZJTONWMUDOR-UHFFFAOYSA-N,2,1,0.535,23,255,486.693,5.465,4,0.323,0.69,0.999,0.9324669316702077,0.9571568089918443,0.980373175245014,0.9873209512713317,0.9643294667945994
EOS-2-40868,Fc1ccc(-c2cc(Cl)cc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,FOICPEMXSRGVRP-UHFFFAOYSA-N,2,1,0.5,57,417,486.721,6.745,5,0.281,0.82,1.0,0.9705811801795627,0.980167569049414,0.9785998218079638,0.9918956891234323,0.9803110650400932
EOS-2-40869,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)c(Cl)c5)ccn4)n23)cc1Cl,UUXAEHNYQBMHPY-UHFFFAOYSA-N,2,1,0.55,57,236,486.721,6.745,5,0.281,0.8,1.0,0.8087691042423412,0.8577462134192311,0.9848708107737647,0.9946713727640326,0.9115143752998422
EOS-2-40872,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1cc(Cl)ccc1Cl,OHNBGLRZMSCGMC-UHFFFAOYSA-N,2,1,0.444,95,965,486.75,5.126,5,0.343,0.72,1.0,0.40836817216092114,0.4318672469330409,0.8169847851415256,0.8960917688986362,0.638327993283531
EOS-2-40873,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1Br,GXUYHOAARBMYAQ-UHFFFAOYSA-N,2,1,1.0,48,101,413.25,4.314,4,0.489,0.85,1.0,0.9988091974504831,0.9903450757316153,0.8768675896100336,0.8851004043588514,0.9377805667877458
EOS-2-40877,Fc1cc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)sc1Cl,CTONXTRNYLZKAN-UHFFFAOYSA-N,2,1,0.568,23,708,413.236,5.017,4,0.472,0.69,0.999,0.8059248852032075,0.8695428688917826,0.9542783222534439,0.9766208621753135,0.9015917346309369
EOS-2-40878,FC(F)(F)c1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(C(F)(F)F)c1,GTSJTVDHJYGSSM-UHFFFAOYSA-N,2,1,0.831,48,64,486.803,6.104,4,0.32,0.83,1.0,0.99961448838325,0.9988263313001166,0.9998800630525666,0.9998286615036667,0.9995373860599
EOS-2-40879,Fc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cc2)cc1Cl,HVARMYJXVRMVTD-UHFFFAOYSA-N,2,1,0.482,13,15,486.816,5.852,5,0.234,0.83,1.0,0.9250479747789734,0.9542269207045438,0.9929408539510657,0.985479062435748,0.9644237029675827
EOS-2-40880,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ccc2F)cc1F,HXKNUEODWNFRFY-UHFFFAOYSA-N,2,1,0.506,88,13,486.816,5.037,5,0.256,0.67,1.0,0.9650640805976287,0.970109999314646,0.9665804262901789,0.9749588787608799,0.9691783462408334
EOS-2-40881,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1cnc(F)c(F)c1,WDANUGLBIGQKDX-UHFFFAOYSA-N,2,1,0.506,59,526,486.816,5.037,5,0.256,0.65,1.0,0.9097217462819547,0.9231632513193064,0.9733311630457131,0.977049208416147,0.9458163422657803
EOS-2-40882,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c(F)c1F,VTHHGVXHQISFBA-UHFFFAOYSA-N,2,1,0.524,34,607,486.816,5.037,5,0.197,0.67,1.0,0.9718919196765129,0.967942567336029,0.977126310739497,0.9770577753409636,0.9735046432732507
EOS-2-40883,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(F)c(-c4cnncc4F)c3F)n12,KNMOPJAKQJNUKK-UHFFFAOYSA-N,2,1,0.5,34,607,486.816,5.037,5,0.324,0.62,1.0,0.897102666027003,0.9489068603933932,0.9842111575628812,0.9879549037077651,0.9545438969227606
EOS-2-40884,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)nc1OC(F)F,WJYPDDSJJGRQSP-UHFFFAOYSA-N,2,1,0.41,31,105,486.83,2.606,5,0.316,0.63,0.403,0.36148995956411484,0.4669830717565623,0.3760794325269001,0.33273079295456104,0.3843208142005346
EOS-2-40885,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnn(C(F)F)c1,CVGLFYGFQRDXEU-UHFFFAOYSA-N,2,1,0.506,13,209,486.841,5.643,5,0.309,0.59,1.0,0.6668751285038722,0.8121958741690083,0.971840518127613,0.9500890960180933,0.8502501542046467
EOS-2-40886,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCCc3cc(Cl)cc(-c4cnco4)n3)n12,PAHBGELRTAFXMC-UHFFFAOYSA-N,2,1,0.516,11,490,486.841,5.193,5,0.312,0.66,1.0,0.9168922623535056,0.8962802412446028,0.9295884449318073,0.9224693304091564,0.916307569734768
EOS-2-40887,FCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cc2F)o1,OKGLEFNCEFQMCV-UHFFFAOYSA-N,2,1,0.588,88,629,486.841,4.864,5,0.324,0.61,1.0,0.92505654170379,0.9158128298266054,0.815194297854842,0.8457096840518128,0.8754433383592626
EOS-2-40888,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cnnn1C(F)F,PQVGVUXYQYAKFK-UHFFFAOYSA-N,2,1,0.48,37,639,486.845,4.254,5,0.317,0.67,1.0,0.7064457542320609,0.80026214789939,0.7881056815845384,0.7943595367007059,0.7722932801041738
EOS-2-40889,CC(F)(F)n1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1,IQNQIZNROBZMHE-UHFFFAOYSA-N,2,1,0.707,43,402,486.845,4.386,5,0.351,0.66,1.0,0.8483739976697965,0.9117435405386882,0.8845092865465013,0.8474402028647796,0.8730167569049414
EOS-2-40890,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5Cl)n34)nn2)n1,IYNVCDQGRLISND-UHFFFAOYSA-N,2,1,0.472,36,51,486.845,4.233,5,0.367,0.66,1.0,0.6762987458022068,0.8199575080529093,0.9326725378658077,0.8835840586663012,0.8281282125968062
EOS-2-40891,Fc1cc(-c2cnn(C(F)F)c2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)n3)n12,YJTSNCSDZNOKSX-UHFFFAOYSA-N,2,1,0.484,20,279,486.845,4.254,5,0.339,0.63,1.0,0.7031903228017271,0.7837194160784045,0.8258772531012268,0.8140634637790419,0.7817126139401
EOS-2-40892,Cn1nc(-c2nn(C)c(=O)cc2Cl)cc1-c1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,KOAIFTKKEYBILO-UHFFFAOYSA-N,2,1,0.347,61,542,486.845,3.625,5,0.386,0.67,0.924,0.4886059899938318,0.5772308272222603,0.8527773970255637,0.8300407785621273,0.6871637482009458
EOS-2-40893,Cc1n[nH]c(-c2cc(-c3nnc4cncc(OCCc5c(F)cc(F)cc5F)n34)c(Cl)cn2)n1,IVEAWDYBQSETMD-UHFFFAOYSA-N,2,1,0.495,37,281,486.845,3.972,5,0.387,0.56,0.999,0.855064765951614,0.8348639572339113,0.7494859845109999,0.7849530532520047,0.8060919402371325
EOS-2-40894,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cncn1C(F)F,JFVKBCFWTSNFTQ-UHFFFAOYSA-N,2,1,0.423,18,773,486.845,4.254,5,0.317,0.55,0.999,0.7309300253580975,0.6931327530669591,0.8585943389760812,0.8339815639777945,0.779159670344733
EOS-2-40895,Cn1nc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cc1-c1ccc(F)c(F)c1,LYKDYAFCJPLMFU-UHFFFAOYSA-N,2,1,0.442,95,998,486.845,3.674,5,0.338,0.7,0.999,0.6225070248783496,0.5212888081694195,0.6164673428825989,0.6940751147967925,0.6135845726817901
EOS-2-40896,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncnn4C(F)F)c(Cl)c3)n12,CUJZLLZOJGKDED-UHFFFAOYSA-N,2,1,0.538,37,161,486.845,4.254,5,0.339,0.65,1.0,0.685216914536358,0.8083064903022411,0.8152028647796586,0.8072356247001576,0.7789904735796039
EOS-2-40897,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1-c1ccn(C(F)F)n1,SIJCQCPMVXNHOL-UHFFFAOYSA-N,2,1,0.539,37,619,486.845,4.254,5,0.317,0.68,1.0,0.8293040230278939,0.8638801315879652,0.8366544445205949,0.8029864299910904,0.8332062572818861
EOS-2-40898,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)nc4)n23)cnc1Cl,TURWAVBXKPWHDA-UHFFFAOYSA-N,2,1,0.495,65,981,486.845,4.254,5,0.317,0.63,1.0,0.8217736961140429,0.7922606401206223,0.8795062024535673,0.8509954766636968,0.8361340038379823
EOS-2-40899,Fc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cncn1C(F)F,JVHSMZZRARHCAB-UHFFFAOYSA-N,2,1,0.408,58,814,486.845,4.254,5,0.317,0.55,0.952,0.7064543211568776,0.6834092934000411,0.8050510588719073,0.7896991296004386,0.7461534507573162
EOS-2-40900,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(Oc3ccc(-c4ccc(Cl)nc4)cn3)n12,CPNWPNTWFQNDQP-UHFFFAOYSA-N,2,1,0.358,41,622,486.854,4.883,6,0.314,0.69,1.0,0.7692498800630526,0.7538037146186005,0.7610170653142349,0.7505054485641834,0.7586440271400179
EOS-2-40901,Fc1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)c2)cc1Cl,VGKYXOVYFMCYLT-UHFFFAOYSA-N,2,1,0.411,13,870,486.854,4.883,6,0.336,0.73,1.0,0.7749725858405867,0.7538122815434172,0.7702350764169693,0.7849616201768214,0.7709953909944487
EOS-2-40902,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ncc(-c6cncnc6)cc5Cl)n34)cn2)n1,ZIGIFTJIRCBQIG-UHFFFAOYSA-N,2,1,0.257,86,165,486.862,2.688,6,0.365,0.61,1.0,0.15560105544513742,0.24592214378726612,0.20082585155232677,0.3140034953053252,0.22908813652251386
EOS-2-40903,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cc(F)cc(Cl)c6)o5)n34)cc2)cc1,DYHRDNGLDNKOTO-UHFFFAOYSA-N,2,1,0.408,83,950,486.869,6.107,6,0.299,0.69,1.0,0.3360290590089781,0.6589849907477212,0.9159156329244055,0.9520680556507436,0.7157494345829621
EOS-2-40904,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnoc6)cn5)n34)cc2F)ccc1Cl,KXYIBDCOTMDZJK-UHFFFAOYSA-N,2,1,0.351,41,192,486.869,6.107,6,0.299,0.67,1.0,0.40191727777397024,0.5164741964224522,0.9669488040572956,0.9746419025426633,0.7149955451990954
EOS-2-40905,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)nc5)n34)nc2)c(Cl)c1F,XWGDZVTYDJBSOQ-UHFFFAOYSA-N,2,1,0.302,32,20,486.869,6.107,6,0.28,0.75,1.0,0.2953532999794394,0.427198272907957,0.9449746419025427,0.9532245905009937,0.6551877013227332
EOS-2-40906,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5F)n34)cn2)ccc1Cl,UITWCFUFXCDGAV-UHFFFAOYSA-N,2,1,0.317,69,192,486.869,6.107,6,0.299,0.73,0.999,0.38461208964430127,0.6111215817969982,0.9618857514906449,0.9699129600438626,0.7318830957439517
EOS-2-40907,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)c(Cl)c6)o5)n34)cc2)c1,PKVCOZRZSPEMDG-UHFFFAOYSA-N,2,1,0.39,83,950,486.869,6.107,6,0.299,0.79,1.0,0.3752484408196834,0.6589935576725379,0.92526214789939,0.9559317387430608,0.728858971283668
EOS-2-40908,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)nc5)n34)nn2)c1F,NBQORCFBPHISFA-UHFFFAOYSA-N,2,1,0.326,10,783,486.873,5.033,6,0.347,0.73,0.998,0.06071379617572476,0.317850044548009,0.8527859639503804,0.9125830991707217,0.535983225961209
EOS-2-40909,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)c(F)c6)c5)n34)nc2)nc1,CDNPSWKZLFULGP-UHFFFAOYSA-N,2,1,0.275,10,673,486.873,5.033,6,0.347,0.72,0.99,0.045807346994722775,0.28174045644575424,0.8857686244945514,0.9125916660955383,0.5314770235076417
EOS-2-40910,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(Cl)cc6F)nn5)n34)cn2)c1,VURTUBIDKLOHTL-UHFFFAOYSA-N,2,1,0.33,3,783,486.873,5.033,6,0.347,0.67,0.999,0.04011034199163868,0.3126499211842917,0.8512610513330136,0.9135340278253719,0.529388835583579
EOS-2-40911,Fc1cccc(-c2cc(-c3nnc4cncc(-c5cn(-c6cccc(F)n6)nn5)n34)ccc2Cl)c1,INJNAOSAKFCKII-UHFFFAOYSA-N,2,1,0.372,3,783,486.873,5.033,6,0.325,0.72,1.0,0.0659738880131588,0.41830580494825575,0.8429082996367624,0.9092162977177712,0.559101072578987
EOS-2-40912,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cc(F)c(-c6cnccn6)cc5Cl)n34)cn2)cc1,VLFQIIAVPCMTKZ-UHFFFAOYSA-N,2,1,0.347,10,673,486.873,5.033,6,0.347,0.68,0.999,0.04897710917688986,0.26102563223905145,0.9031080803234871,0.9284576108560071,0.5353921081488588
EOS-2-40913,Fc1cc(F)cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6nccc(Cl)n6)c5)n34)cc2)c1,IBJOUJRKTCBXLI-UHFFFAOYSA-N,2,1,0.358,3,150,486.873,5.033,6,0.325,0.71,1.0,0.03557843876362141,0.27671167157837023,0.8413919539442122,0.8904632992940854,0.5110363408950723
EOS-2-40914,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)cc5)n34)n2)c1F,KIHMFLJKRPXDEH-UHFFFAOYSA-N,2,1,0.372,83,689,486.873,5.033,6,0.347,0.76,1.0,0.15834247138647112,0.48905147008429856,0.7990799122746899,0.8987903502158865,0.5863160509903365
EOS-2-40915,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(Cl)cc6F)n5)n34)cc2)cc1,OEPHYNZYJMIYLA-UHFFFAOYSA-N,2,1,0.382,83,689,486.873,5.033,6,0.347,0.75,0.997,0.14441265163456926,0.5118394900966349,0.7944195051744226,0.8999811527654034,0.5876631999177575
EOS-2-40916,Fc1ccc(-c2c(-c3cncc4nnc(-c5ncc(F)cn5)n34)cnn2-c2ccccc2Cl)cc1,KPWUMRRXFYFUEF-UHFFFAOYSA-N,2,1,0.301,3,673,486.873,5.033,6,0.347,0.69,0.999,0.045815913919539444,0.2008429854019601,0.7084418477143445,0.8474487697895964,0.4506373792063601
EOS-2-40917,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(F)cc(Cl)n6)c5)n34)cc2)nc1,XQSHRMMZZKRMRZ-UHFFFAOYSA-N,2,1,0.329,3,150,486.873,5.033,6,0.325,0.74,1.0,0.04305736412857241,0.30238674525392367,0.8512696182578302,0.8877989856761017,0.5211281783291071
EOS-2-40918,Fc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c(F)cc1Cl,ZYLFZXJOXLALQU-UHFFFAOYSA-N,2,1,0.355,93,689,486.873,5.033,6,0.325,0.66,0.997,0.16916249742992256,0.41831437187307247,0.7772770886162703,0.8835926255911178,0.5620866458775958
EOS-2-40919,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)c(F)cc1Cl,NGYGBQNDQMRIHS-UHFFFAOYSA-N,2,1,0.311,3,783,486.873,5.033,6,0.325,0.64,1.0,0.07200500308409294,0.292474813241039,0.8661589335891988,0.9059180316633542,0.5341391953944212
EOS-2-40920,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(Cl)ccn6)c5)n34)nc2)c(F)c1,AWVYKGJAZIQWFJ-UHFFFAOYSA-N,2,1,0.278,10,673,486.873,5.033,6,0.347,0.75,1.0,0.015034953053252005,0.24593071071208278,0.8702881913508327,0.912600233020355,0.5109635220341306
EOS-2-40921,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccnc6Cl)c5)n34)nc2)cc1F,QHXIECPATGVVNQ-UHFFFAOYSA-N,2,1,0.309,10,673,486.873,5.033,6,0.325,0.73,0.998,0.021494414365019532,0.2305188129668974,0.8795147693783839,0.9115807689671716,0.5107771914193682
EOS-2-40922,Fc1c(Cl)ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)c1F,RWYOKAQMTGNOCN-UHFFFAOYSA-N,2,1,0.299,30,298,486.873,5.033,6,0.325,0.68,1.0,0.10416523884586389,0.37572818860941676,0.8091631827839079,0.8709649784113495,0.5400053971626345
EOS-2-40923,Fc1cc(-c2cccc(Cl)c2)ccc1-c1nnc2cncc(-c3cn(-c4ncccc4F)nn3)n12,WTNMQHARLKZQPY-UHFFFAOYSA-N,2,1,0.361,3,783,486.873,5.033,6,0.347,0.69,1.0,0.022685216914536357,0.31785861147282574,0.7990884791995065,0.8918511411143856,0.5078708621753135
EOS-2-40924,Fc1cccc(F)c1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cn1,QSVVIEREURUFIV-UHFFFAOYSA-N,2,1,0.329,3,668,486.873,5.033,6,0.347,0.75,1.0,0.04898567610170653,0.3660561304913988,0.8572578987046809,0.8946011239805359,0.5417252073195805
EOS-2-40925,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1onc2cncnc12,IPHNDZQXMZDFNX-UHFFFAOYSA-N,2,1,0.433,97,83,486.879,4.026,6,0.318,0.45,1.0,0.5971917620450963,0.6062470015763142,0.5156089370159688,0.4724230690151463,0.5478676924131314
EOS-2-40926,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccc(Cl)cc6)o5)n34)cc2)o1,QFMLRSKSWYZVSS-UHFFFAOYSA-N,2,1,0.543,77,937,486.879,4.432,6,0.333,0.75,1.0,0.7154752929888287,0.8609930779247481,0.27960729216640395,0.31082516619834144,0.5417252073195806
EOS-2-40927,Cc1nnc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)o1,NEILOXOUWQZAKE-UHFFFAOYSA-N,2,1,0.452,81,25,486.879,4.432,6,0.333,0.65,0.999,0.6453978479884861,0.7310927969296142,0.31997464190254266,0.33608046055787816,0.5081364368446303
EOS-2-40928,Cn1cnnc1-c1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)o1,VNGTWDWOYPEJAG-UHFFFAOYSA-N,2,1,0.516,6,597,486.883,3.264,6,0.345,0.59,1.0,0.47883112877801387,0.5301470084298541,0.1580768967171544,0.18394044273867452,0.3377488691659242
EOS-2-40929,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cc5)n4)n23)cc1,BSLTWEJNVQTYPR-UHFFFAOYSA-N,2,1,0.512,25,893,486.883,3.264,6,0.345,0.76,1.0,0.5574240970461243,0.6250085669248167,0.139932149955452,0.20934137482009457,0.38292654718662184
EOS-2-40930,Cn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3ccc(-c4n[nH]c(=N)o4)cc3)n12,SSJJLKMUBGLNKP-UHFFFAOYSA-N,2,1,0.354,67,622,486.883,3.495,6,0.352,0.57,1.0,0.47095812487149613,0.462785278596395,0.3456154478788294,0.2919693646768556,0.392832054005894
EOS-2-40931,Cn1c(-c2nnco2)cnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,JKSHWSHVXNUMSE-UHFFFAOYSA-N,2,1,0.506,71,156,486.883,3.264,6,0.345,0.64,1.0,0.6882753066959084,0.7404393119045988,0.14274210129531903,0.20354156671921048,0.4437495716537591
EOS-2-40932,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccc(Cl)nc6)n5)n34)cc2)n1,JKAUFANPGKRWRD-UHFFFAOYSA-N,2,1,0.441,56,428,486.883,3.264,6,0.323,0.67,1.0,0.5547940511274073,0.5212973750942361,0.18382050579124118,0.19751045164827633,0.36435559591529026
EOS-2-40933,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5cc(Cl)ccn5)n4)n23)cc1,SOJHGTJKIIKCQP-UHFFFAOYSA-N,2,1,0.451,56,428,486.883,3.264,6,0.345,0.73,1.0,0.5160715509560688,0.44937804125830993,0.12768144746761703,0.1729576451237064,0.31652217120142556
EOS-2-40934,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cn5)n4)n23)cc1,HLBPOOJIHSYVSP-UHFFFAOYSA-N,2,1,0.451,56,428,486.883,3.264,6,0.345,0.72,1.0,0.5741895689123432,0.5164827633472688,0.12242992255499965,0.15411041052703722,0.3418031663354122
EOS-2-40935,Cn1nnnc1-c1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)nc1,MBMYZYJCNQENMO-UHFFFAOYSA-N,2,1,0.5,56,415,486.883,3.264,6,0.345,0.69,1.0,0.5972003289699129,0.6884123774929751,0.18699883489822494,0.2533068329792338,0.43147959358508675
EOS-2-40936,Cn1cc(-c2cc(-c3ccc(-c4nnc5cncc(OCc6cncc(Cl)c6)n45)nc3)no2)nn1,AVKSOGPHWLNIPV-UHFFFAOYSA-N,2,1,0.388,6,62,486.883,3.264,6,0.345,0.6,0.902,0.36149852648893155,0.3757367555342334,0.26843602220546914,0.2860239188540881,0.3229238057706805
EOS-2-40937,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)o5)n4)n23)cc1,ZOYAGXLCJVFYSC-UHFFFAOYSA-N,2,1,0.457,56,415,486.883,3.264,6,0.345,0.69,1.0,0.5393136179836886,0.5164913302720855,0.20083441847714345,0.23873449386608184,0.37384346514974987
EOS-2-40938,Cn1cnnc1-c1cc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)no1,DCTIELNWCLDZDH-UHFFFAOYSA-N,2,1,0.417,2,422,486.883,3.264,6,0.345,0.67,1.0,0.49347200328969915,0.5030241244602838,0.2612312384346515,0.2919779316016723,0.38742632444657665
EOS-2-40939,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)nc5)n4)n23)cc1,CQAYODJLJGXBSS-UHFFFAOYSA-N,2,1,0.451,56,428,486.883,3.264,6,0.323,0.63,1.0,0.5768367486806936,0.5076245630868343,0.15808546364197107,0.18653622095812486,0.357270749091906
EOS-2-40940,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)nc5)o4)n23)cc1,ZQWQNICKYATVGI-UHFFFAOYSA-N,2,1,0.442,67,415,486.883,3.264,6,0.323,0.62,1.0,0.5445737098211226,0.582499485984511,0.17073024467137277,0.197519018573093,0.3738306147625249
EOS-2-40941,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)nn5)n4)n23)cn1,OCOMYKDZGBRSTL-UHFFFAOYSA-N,2,1,0.39,71,502,486.887,2.19,6,0.344,0.62,0.999,0.31605955726132545,0.4137225001713385,0.06605099033650881,0.07705948872592694,0.21822313412377492
EOS-2-40942,Cn1nc(-c2ccc(Cl)cn2)nc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,JIWPYRSLXDIMFH-UHFFFAOYSA-N,2,1,0.436,56,893,486.887,2.394,6,0.371,0.72,1.0,0.5267802069769035,0.6111301487218148,0.056241861421424164,0.0914433554931122,0.32139889315331366
EOS-2-40943,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cnnn5)cn4)n23)c(Cl)c1,KYLSVAHGBWNXHE-UHFFFAOYSA-N,2,1,0.464,71,79,486.887,2.19,6,0.344,0.58,1.0,0.23300322116373107,0.42280344047700635,0.22890823110136385,0.25014563772188336,0.2837151326159961
EOS-2-40944,COc1nnc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)ccc5OC(F)F)n34)cc2)s1,RQAMJXHQMFKDQC-UHFFFAOYSA-N,2,1,0.396,96,697,486.891,5.24,5,0.324,0.66,1.0,0.5600198752655746,0.6834178603248577,0.8185182646837091,0.8051795627441574,0.7167838907545747
EOS-2-40945,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cc5)s4)n23)cc1,JYIZYXPXQIVORL-UHFFFAOYSA-N,2,1,0.662,1,372,486.891,5.144,5,0.314,0.81,1.0,0.7489291343979165,0.9315845384140908,0.8091717497087245,0.8400897813720787,0.8324438009732027
EOS-2-40946,N#Cc1ccc(COc2cncc3nnc(-c4ccc(COc5ccccc5Cl)cc4F)n23)cn1,YVPNIUZICNROSY-UHFFFAOYSA-N,2,1,0.517,1,709,486.894,5.008,5,0.319,0.73,1.0,0.9435696662326092,0.9404341717497087,0.9449832088273593,0.9284661777808237,0.9393633061476252
EOS-2-40947,COc1cc(Cl)ccc1-c1nnc2cncc(Oc3ccc4cc(-c5ccc(F)cc5)nn4c3)n12,WCEPYXDPMMSDGC-UHFFFAOYSA-N,2,1,0.442,83,480,486.894,5.699,6,0.311,0.69,1.0,0.72485607566308,0.8276848742375437,0.8938129668974025,0.8946096909053526,0.8352409019258447
EOS-2-40948,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5F)n34)c2)s1,CDYZCRVLBFMQID-UHFFFAOYSA-N,2,1,0.51,84,35,486.895,3.67,5,0.354,0.53,1.0,0.6113443218422315,0.6111387156466315,0.6930556507436091,0.6967565622644095,0.6530738126242204
EOS-2-40949,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)cc2F)s1,PNRYUKGYSFQAPA-UHFFFAOYSA-N,2,1,0.484,37,639,486.895,3.67,5,0.354,0.58,1.0,0.8293125899527106,0.7404478788294154,0.5692036186690426,0.60039579192653,0.6848399698444246
EOS-2-40950,Cc1nc(-c2ccc(Cl)cc2F)c(-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4)n23)o1,KLBWCAMEILUGDE-UHFFFAOYSA-N,2,1,0.314,42,693,486.898,5.01,6,0.345,0.62,0.937,0.26547186621890206,0.3945839901309026,0.48774073058734835,0.5501165101775067,0.42447827427866497
EOS-2-40951,Cc1nc(-c2ccc(Cl)cc2F)cc(-c2nnc3cncc(OCCc4ccc(C#N)nc4)n23)n1,UUXJYCDANOXLES-UHFFFAOYSA-N,2,1,0.511,44,531,486.898,4.237,5,0.35,0.7,1.0,0.9169008292783223,0.8913713933246522,0.6902371324789254,0.7023935987937769,0.8002257384689192
EOS-2-40952,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccnc(-c4nnc5ccccn45)c3)n12,SCPXOFKJBFZOLI-UHFFFAOYSA-N,2,1,0.56,11,159,486.898,4.31,6,0.346,0.64,1.0,0.8137636214104585,0.7750496881639367,0.6104276608868481,0.7024021657185937,0.7254107840449593
EOS-2-40953,CCn1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)c(-c2cccc(Cl)c2)n1,RASAOUTXXFDNKS-UHFFFAOYSA-N,2,1,0.341,3,923,486.898,5.184,6,0.331,0.67,1.0,0.18323795490370776,0.38991501610581863,0.5979799191282297,0.6767270920430403,0.4619649955451991
EOS-2-40954,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4Cl)n23)ccc1-c1nc[nH]n1,ADDQKTOYSFXLMS-UHFFFAOYSA-N,2,1,0.463,97,611,486.898,4.739,6,0.365,0.57,1.0,0.6607926118840382,0.6687855527379891,0.842916866561579,0.8510040435885134,0.7558747686930299
EOS-2-40955,Fc1cc(Cl)c(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1nnc2ccccn12,QEVNHFPAKSOPNZ-UHFFFAOYSA-N,2,1,0.57,35,509,486.898,4.31,6,0.346,0.68,1.0,0.8507213350695634,0.8779727229113837,0.5979884860530464,0.6882410389966418,0.753730895757659
EOS-2-40956,Fc1cc(-c2nnc3ccccn23)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,DBZRZEYXPZKRCF-UHFFFAOYSA-N,2,1,0.539,35,429,486.898,4.31,6,0.346,0.69,1.0,0.9488982934685766,0.9137053663217052,0.6164759098074155,0.7048780069906107,0.795989394147077
EOS-2-40957,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)cc5Cl)n34)cc2F)n[nH]1,XVHWADDEOQHRTF-UHFFFAOYSA-N,2,1,0.3,96,314,486.902,4.14,6,0.398,0.58,0.933,0.13886985127818519,0.2870776506065383,0.5624014803646084,0.6096309368788979,0.39949497978205745
EOS-2-40958,Fc1cc(Cl)c(C(F)F)cc1-c1nnc2cncc(OCc3ccc(-c4ccsc4)cc3)n12,GIPVFYXDPCJNQV-UHFFFAOYSA-N,2,1,0.529,97,326,486.906,6.829,5,0.264,0.71,1.0,0.9324754985950243,0.9520252210266603,0.9915444452059489,0.9917500514015489,0.9669488040572956
EOS-2-40959,Fc1cc(Cl)nc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)n2)c1,LSPFMLIFGJASDZ-UHFFFAOYSA-N,2,1,0.333,3,186,486.923,5.226,6,0.315,0.54,0.997,0.23861455691864847,0.42720683983277363,0.582062572818861,0.7108748543622782,0.4896897059831403
EOS-2-40960,Fc1cc(-c2csc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cnc1Cl,UBPLZLLPECMCGA-UHFFFAOYSA-N,2,1,0.333,32,983,486.923,5.226,6,0.315,0.64,1.0,0.2437718456582825,0.4538242752381605,0.6631570831334385,0.7187821259680625,0.5198838324994859
EOS-2-40961,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3nnc(-c4cccc(Cl)n4)s3)n12,AXDBCRHFFBJOFN-UHFFFAOYSA-N,2,1,0.341,30,541,486.923,5.226,6,0.315,0.65,0.979,0.2026848742375437,0.4183229387978891,0.4702727708861627,0.6272531012267837,0.4296334212870948
EOS-2-40962,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ncc(-c4ncc(Cl)s4)cn3)n12,OPFGNWUOLXYSOU-UHFFFAOYSA-N,2,1,0.338,32,693,486.923,5.226,6,0.337,0.66,1.0,0.24677026934411625,0.39954423959975327,0.5291361113014872,0.6331899801247344,0.45216015009252275
EOS-2-40963,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)cs4)n23)cc1,FWICRCCPURRXNG-UHFFFAOYSA-N,2,1,0.325,64,449,486.923,5.226,6,0.315,0.75,0.963,0.22480467411417998,0.38992358303063535,0.49770406414913304,0.6449009663491193,0.4393333219107669
EOS-2-40964,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)nc3)n12,FSXQGFZCPWEKRS-UHFFFAOYSA-N,2,1,0.313,42,923,486.923,5.226,6,0.315,0.72,1.0,0.16917106435473922,0.3660646974162155,0.777285655541087,0.830049345486944,0.5356426906997465
EOS-2-40965,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)s5)n34)cn2)cc1,MQCSPUFMIXZJQU-UHFFFAOYSA-N,2,1,0.354,3,572,486.923,5.226,6,0.315,0.78,0.987,0.1310396819957508,0.4493866081831266,0.572801727092043,0.7108834212870948,0.46602785963950377
EOS-2-40966,Fc1cc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)c(Cl)cc1-c1cccnn1,RNFYBLHQVIWTIU-UHFFFAOYSA-N,2,1,0.325,3,340,486.923,5.226,6,0.337,0.72,1.0,0.13887841820300184,0.3565125762456309,0.7797443629634706,0.8400983482968953,0.5288084264272497
EOS-2-40967,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cccc(Cl)n6)s5)n34)cn2)cn1,SGDFHQBWUVVVCT-UHFFFAOYSA-N,2,1,0.31,32,20,486.923,5.226,6,0.315,0.49,0.993,0.20269344116236035,0.3995528065245699,0.5760143238982934,0.662163319854705,0.46010597285998217
EOS-2-40968,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)nnc4Cl)n23)cc1,HQNULEVFJIVZAM-UHFFFAOYSA-N,2,1,0.484,1,637,486.923,3.625,5,0.37,0.79,1.0,0.5998903433623467,0.43187581385785756,0.14574909190596944,0.13469775889246796,0.3280532520046604
EOS-2-40969,Fc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,CHXJWGUFSHKUKX-UHFFFAOYSA-N,2,1,0.355,9,340,486.923,5.226,6,0.337,0.69,1.0,0.32335857720512645,0.4986207251045165,0.729319443492564,0.7872489891028717,0.5846369337262696
EOS-2-40970,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cnc(Cl)cn6)s5)n34)cc2)cc1,PJVUFZGXPBHHGE-UHFFFAOYSA-N,2,1,0.443,3,641,486.923,5.226,6,0.337,0.73,0.923,0.21117469673086148,0.5348245493797547,0.5391594133369886,0.7048865739154273,0.497511308340758
EOS-2-40971,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c(F)c1,FMOCZJYPTUVLKE-UHFFFAOYSA-N,2,1,0.454,26,563,486.935,5.1,5,0.305,0.65,1.0,0.7891765471866219,0.7538208484682338,0.6847800013707079,0.7266808306490302,0.7386145569186484
EOS-2-40972,CC(=Nc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1)c1ccccc1F,IMYZDDYCSMKLIY-UHFFFAOYSA-N,2,1,0.589,79,660,486.938,5.741,5,0.216,0.65,1.0,0.9387464875608251,0.819966074977726,0.8012130765540402,0.729319443492564,0.8223112706462887
EOS-2-40973,Clc1ncn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)cc2)n1,ZGBIIHBWFRGABF-UHFFFAOYSA-N,2,1,0.524,77,190,486.948,4.728,6,0.336,0.69,1.0,0.5160801178808855,0.4890600370091152,0.5883506956342951,0.5664108011788088,0.5399754129257762
EOS-2-40974,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cc6ccncc6nn5)c4)n23)s1,CRNCQJNSCGZGIC-UHFFFAOYSA-N,2,1,0.465,75,819,486.948,4.528,6,0.338,0.62,0.994,0.7666626687684189,0.8046141457062573,0.3983191693509698,0.4661777808237955,0.6089434411623604
EOS-2-40975,Clc1cccc(-c2n[nH]c(COc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)n2)n1,BGALOPJNMZVGPZ-UHFFFAOYSA-N,2,1,0.426,40,25,486.948,4.932,6,0.332,0.59,1.0,0.6113528887670482,0.6348176958399013,0.3945839901309026,0.4814012062230142,0.5305389452402166
EOS-2-40976,Clc1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)n1,NJLKIDIVORQRCR-UHFFFAOYSA-N,2,1,0.534,40,932,486.948,4.728,6,0.336,0.68,1.0,0.33108594338976083,0.4627938455212117,0.4841083544650812,0.472431635939963,0.4376049448290042
EOS-2-40977,Clc1ccc(-c2csc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1,GJSKOGPTKAUBTN-UHFFFAOYSA-N,2,1,0.5,77,611,486.948,4.932,6,0.355,0.72,1.0,0.6281440614077171,0.7750582550887534,0.48411692138989787,0.5337365499280379,0.6052639469536015
EOS-2-40978,Clc1cc(COc2cncc3nnc(-c4cccc(-c5cnn(-c6ccsc6)n5)c4)n23)ccn1,OQBSARRCYNPDEQ-UHFFFAOYSA-N,2,1,0.438,40,247,486.948,4.728,6,0.314,0.61,1.0,0.48861455691864847,0.507633130011651,0.5190956754163526,0.5337451168528545,0.5122721197998766
EOS-2-40979,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)s6)nc5)n34)c(Cl)c2)no1,CTKVSSWISHBIMP-UHFFFAOYSA-N,2,1,0.333,42,693,486.948,5.297,6,0.33,0.57,1.0,0.3108594338976081,0.44939517510794325,0.3382050579124118,0.3650023987389487,0.36586551641422793
EOS-2-40980,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)cc5Cl)n34)cc2)s1,IKSYFQCCFVYQMV-UHFFFAOYSA-N,2,1,0.321,98,424,486.952,4.129,6,0.365,0.65,1.0,0.10161229525049688,0.23052737989171407,0.2043297238023439,0.25919231032828455,0.19891542731820983
EOS-2-40981,COCCOc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1,ILPZPJWVTWMHED-UHFFFAOYSA-N,2,1,0.61,79,23,486.959,5.716,5,0.248,0.8,1.0,0.9672572133506956,0.9679511342608458,0.907391542731821,0.8808512096497841,0.9308627749982866
EOS-2-40982,CC1(n2cc(-c3ccc(-c4nnc5cncc(OCCc6ccc(Cl)cc6)n45)cc3)cn2)COC1,VLOLYKGJGCRTOC-UHFFFAOYSA-N,2,1,0.705,91,322,486.963,4.675,6,0.332,0.62,0.999,0.5010108971283668,0.6111472825714481,0.5947073538482627,0.6272616681516003,0.5835318004249195
EOS-2-40983,Cn1ccnc1-c1cc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cc1F,BLFZCDSEDCQKRP-UHFFFAOYSA-N,2,1,0.329,42,192,486.963,6.38,6,0.29,0.68,1.0,0.3030892330888904,0.4364419847851415,0.8976252484408197,0.9148876019464053,0.6380110170653143
EOS-2-40984,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C6CCOCC6)c5)cc4)n23)cc1,SGKMQPTVSJLBER-UHFFFAOYSA-N,2,1,0.602,43,322,486.963,5.239,6,0.326,0.73,1.0,0.4886231238434651,0.5301555753546707,0.40534404770063737,0.5853008703995614,0.5023559043245837
EOS-2-40985,Cn1c(-c2nc(-c3ccccc3)cs2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,UPKKDPWLYKYJST-UHFFFAOYSA-N,2,1,0.404,30,93,486.963,6.38,6,0.29,0.61,1.0,0.2628332533753684,0.4937461448838325,0.7818946610924542,0.8510126105133301,0.5973716674662463
EOS-2-40986,CN(C)Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)ccn2)cn1,VUOBFBALHGSITB-UHFFFAOYSA-N,2,1,0.495,75,496,486.967,3.98,5,0.325,0.63,1.0,0.45918717017339455,0.4494037420327599,0.47028133781097936,0.3936844630251525,0.4431391782605716
EOS-2-40987,Cc1nc(-c2cccc(Cl)c2)c(-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)s1,PBCRHUPQXFVKIG-UHFFFAOYSA-N,2,1,0.349,32,20,487.013,6.667,6,0.278,0.7,1.0,0.1691796312795559,0.3023953121787403,0.5084641217188678,0.6534336234665205,0.40836817216092114
EOS-2-40988,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)nc5-c5ccccc5)n34)s2)cs1,HETCZTYYVAFMBV-UHFFFAOYSA-N,2,1,0.338,30,126,487.013,6.667,6,0.26,0.74,0.764,0.227614625454047,0.36607326434103216,0.4841254883147145,0.5822853128640944,0.415024672743472
EOS-2-40989,Clc1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)cc1,KBFKUVXWBAUOOB-UHFFFAOYSA-N,2,1,0.69,79,650,412.88,5.691,5,0.372,0.86,1.0,0.9800733328764307,0.9876379274895484,0.916883695428689,0.9417706120211089,0.9565913919539443
EOS-2-40990,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5)n34)cc2)cc1,OQOZGDYZOGJHDN-UHFFFAOYSA-N,2,1,0.731,12,23,412.88,5.691,5,0.372,0.87,1.0,0.9768264683709136,0.9779059008978137,0.9304023027893907,0.9473219793023097,0.9581141628401069
EOS-2-40991,Clc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccccc4)n23)cc1,MWBLNMKATXUGTO-UHFFFAOYSA-N,2,1,0.676,79,650,412.88,5.691,5,0.372,0.88,1.0,0.9594441779178946,0.9665632924405455,0.9252707148242068,0.9450346103762594,0.9490781988897266
EOS-2-40992,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1,BTMNTXDSBCETAX-UHFFFAOYSA-N,2,1,0.648,83,528,412.88,6.212,5,0.352,0.87,1.0,0.919796449866356,0.9714978411349462,0.9425759029538757,0.9520766225755602,0.9464867041326845
EOS-2-40993,Clc1ccc(-c2ccccc2COc2cncc3nnc(-c4ccccc4)n23)cc1,GPDYGMWTXWKFCS-UHFFFAOYSA-N,2,1,0.667,79,650,412.88,5.691,5,0.372,0.86,1.0,0.9620827907614283,0.958039202247961,0.9149904050442054,0.9375813857857583,0.9431734459598382
EOS-2-40994,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)c4)n23)cc1,GKYRCJNVFJPELA-UHFFFAOYSA-N,2,1,0.725,12,650,412.88,5.691,5,0.372,0.85,1.0,0.9729199506545131,0.9867469673086149,0.9270098005619902,0.9473305462271263,0.9585018161880611
EOS-2-40995,COc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccccc4Cl)n23)cc1,DBLNDGABXGLSAU-UHFFFAOYSA-N,2,1,0.453,83,472,412.88,5.787,5,0.375,0.82,1.0,0.3890840243986019,0.5164998971969021,0.922657802755123,0.9323641285724077,0.6901514632307587
EOS-2-40996,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cc4)n23)cc1,VIPQAPXEQAJNHA-UHFFFAOYSA-N,2,1,0.758,12,650,412.88,5.691,5,0.372,0.87,1.0,0.9818552532382976,0.9886059899938319,0.9311476252484409,0.9486841203481599,0.9625732472071825
EOS-2-40997,Clc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,RAMIOVQLXMCWIS-UHFFFAOYSA-N,2,1,0.639,12,650,412.88,5.691,5,0.372,0.86,1.0,0.9627253101226784,0.9694674799533959,0.9270183674868069,0.947339113151943,0.951637567678706
EOS-2-40998,CN(C)CCOc1cncc2nnc(-c3ccc(-c4ccc(F)cn4)c(Cl)c3)n12,FTMHMXAKKAVONZ-UHFFFAOYSA-N,2,1,0.512,90,636,412.856,3.586,4,0.482,0.78,1.0,0.5344219039133713,0.5923257487492289,0.6223613871564663,0.6186604756356658,0.5919423788636831
EOS-2-40999,N#Cc1ccc(Cn2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,NUUHJIBIPZNRSN-UHFFFAOYSA-N,2,1,0.41,61,331,412.844,3.623,5,0.447,0.82,1.0,0.260006168185868,0.5165084641217189,0.6491672949078199,0.7685216914536358,0.5485509046672606
EOS-2-41000,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(C#N)cc3)n12,PAQVDAKUXZBMDT-UHFFFAOYSA-N,2,1,0.466,61,311,412.844,3.779,5,0.447,0.84,1.0,0.2083561784661778,0.43645055170995817,0.511942293194435,0.6912051949832089,0.4619885545884449
EOS-2-41001,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)c1,HHYNKRDLXAVDJU-UHFFFAOYSA-N,2,1,0.341,61,216,412.844,3.779,5,0.447,0.76,1.0,0.2654804331437187,0.42281200740182306,0.7346395038037146,0.7919350969775889,0.5537167603317112
EOS-2-41002,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nc2)cn1,GYHLPKBJSYIPDP-UHFFFAOYSA-N,2,1,0.35,74,216,412.844,3.779,5,0.447,0.78,1.0,0.18889212528270852,0.3995613734493866,0.8204372558426427,0.8240182304160099,0.5582272462476869
EOS-2-41003,Cn1nc(-c2ccc(C#N)nc2)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,FLIVIEPDSILDNH-UHFFFAOYSA-N,2,1,0.4,96,140,412.844,3.779,5,0.447,0.82,1.0,0.19431498869165925,0.44047700637379206,0.690245699403742,0.7454081282982661,0.5176114556918648
EOS-2-41004,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(C#N)c(Cl)c3)n12,IPWBBFGDGHPCMA-UHFFFAOYSA-N,2,1,0.385,61,316,412.844,3.779,5,0.447,0.79,1.0,0.17451682544033995,0.35652114317044753,0.47363957233911314,0.6129206360084984,0.40439954423959973
EOS-2-41005,Clc1cc(-c2nnc3cncc(OCc4nncs4)n23)ncc1-c1cnco1,DMXMEFVGNHIZEV-UHFFFAOYSA-N,2,1,0.425,92,119,412.822,2.925,5,0.429,0.67,1.0,0.44751045164827635,0.4803303406209307,0.1488160509903365,0.2209666917963128,0.32440588376396406
EOS-2-41006,Clc1nnc(COc2cncc3nnc(-c4ccc(-c5ncco5)nc4)n23)s1,JYWVIHAHNJHZLQ-UHFFFAOYSA-N,2,1,0.488,24,617,412.822,2.925,5,0.429,0.67,1.0,0.41980501679117266,0.5258292783222535,0.05625042834624083,0.08060619560002741,0.2706227297649236
EOS-2-41007,Clc1cc(-c2nnc3cncc(OCc4nncs4)n23)ccc1-c1nnco1,WHXWYPACRPVTLX-UHFFFAOYSA-N,2,1,0.524,36,208,412.822,2.925,5,0.429,0.71,1.0,0.5368292097868549,0.6981444040847098,0.16764615173737235,0.2415358782811322,0.4110389109725173
EOS-2-41008,Fc1ccc(-c2nnc3cncc(OCc4ncc(Br)cn4)n23)c(C(F)(F)F)c1F,OGRWPPUKRMVBLB-UHFFFAOYSA-N,2,1,0.5,68,255,487.186,4.22,4,0.402,0.7,1.0,0.9018658762250702,0.9158213967514222,0.9835429374271811,0.9632307586868618,0.9411152422726339
EOS-2-41009,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnc(-c4ccoc4)o3)n12,FTTYWDSIZLQWLN-UHFFFAOYSA-N,2,1,0.561,4,10,412.768,3.806,5,0.429,0.72,1.0,0.670181961483106,0.7958416146939894,0.5191042423411693,0.6096395038037146,0.6486918305804947
EOS-2-41010,Fc1ccc(Cn2nnc(-c3cncc4nnc(-c5ccc(Br)cc5)n34)n2)c(F)c1F,PDIQVVRVJLGMOL-UHFFFAOYSA-N,2,1,0.385,22,221,487.243,3.673,5,0.36,0.77,0.978,0.3661332328147488,0.5673017613597423,0.6902542663285587,0.8162394626824755,0.6099821807963813
EOS-2-41011,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2F)cnc1Cl,BRLQFTRUMCIBLS-UHFFFAOYSA-N,2,1,0.381,46,94,487.257,4.202,5,0.34,0.6,0.999,0.7122969638818449,0.7538294153930505,0.7902988143376054,0.838067987115345,0.7736232951819615
EOS-2-41012,Fc1ccc(F)c(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nn2)c1,VVSBOXLBCYWTGW-UHFFFAOYSA-N,2,1,0.55,34,252,487.257,4.202,5,0.364,0.63,1.0,0.8392073881159618,0.964952710575012,0.6957113974367761,0.8612415187444314,0.8402782537180454
EOS-2-41013,Fc1cc(Cl)ccc1-c1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cnn1,RZDDDZWDGSFVNO-UHFFFAOYSA-N,2,1,0.435,73,379,487.257,4.202,5,0.34,0.65,1.0,0.7094270440682613,0.8665530121307655,0.7772942224659036,0.8579346857651977,0.802802241107532
EOS-2-41014,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(Cl)c5)nc4)n23)nc1Cl,FOXFZISQRGGIBE-UHFFFAOYSA-N,2,1,0.402,73,379,487.257,4.202,5,0.269,0.66,1.0,0.8112021108902748,0.8858628606675348,0.7658573778356521,0.8162480296072921,0.8197925947501884
EOS-2-41015,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)n2)cnc1Cl,SWFSABUYYSJZJE-UHFFFAOYSA-N,2,1,0.411,73,196,487.257,4.202,5,0.34,0.64,0.999,0.7865208004934549,0.8858714275923515,0.7320437255842642,0.7965698033034062,0.8002514392433692
EOS-2-41016,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnnc(Cl)n5)n4)n23)ccc1Cl,BVPLFNKAMGPRLV-UHFFFAOYSA-N,2,1,0.517,34,391,487.257,4.202,5,0.364,0.69,1.0,0.8918083064903023,0.9580477691727778,0.7681104790624358,0.840106915221712,0.8645183674868071
EOS-2-41017,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncc(Cl)n5)c4)n23)cc1Cl,POQPYPBCXGEKNR-UHFFFAOYSA-N,2,1,0.362,96,315,487.272,6.241,5,0.301,0.79,1.0,0.5010194640531834,0.6981529710095264,0.994662805839216,0.9956308683434995,0.7973665273113564
EOS-2-41018,Fc1cc(Cl)c(C(F)F)cc1-c1nnc2cncc(-c3ccc(-c4cccc(Cl)n4)cn3)n12,LTVQGFMMJBIGMM-UHFFFAOYSA-N,2,1,0.325,45,140,487.272,6.299,5,0.279,0.73,0.997,0.43337502570077446,0.7538379823178671,0.9867298334589816,0.9908162565965322,0.7911897745185388
EOS-2-41019,Fc1cc(-c2nnc3cncc(OCCOc4ccc(Cl)c(Cl)c4)n23)ccc1-c1ncon1,JCWNRGZQWBMPNS-UHFFFAOYSA-N,2,1,0.549,88,325,487.278,4.745,5,0.304,0.68,1.0,0.9742478240010966,0.909738880131588,0.8717103008703996,0.8865739154273182,0.9105677301076006
EOS-2-41020,OCc1nnnn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(Cl)c1,CNKFDNAKYCJRLD-UHFFFAOYSA-N,2,1,0.484,34,612,487.282,3.284,5,0.388,0.74,0.999,0.5185816599273525,0.7793674182715372,0.6432903844835858,0.7782023164964704,0.6798604447947365
EOS-2-41021,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c(Cl)c2F)n1,BUIHCTSVUPBZCZ-UHFFFAOYSA-N,2,1,0.472,20,279,487.286,2.839,5,0.356,0.55,1.0,0.5713881844972929,0.6590021245973545,0.24322356247001575,0.37803269138510043,0.46291164073744095
EOS-2-41022,Cn1ncnc1-c1cc(Cl)c(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cn1,YTIKHLPQTCOKQI-UHFFFAOYSA-N,2,1,0.427,51,779,487.286,2.839,5,0.333,0.59,0.998,0.5855835789185114,0.5348331163045713,0.15200294702213693,0.26547186621890206,0.3844728771160304
EOS-2-41023,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3c(F)cc(F)c(F)c3F)n12,JSYADVBUDHJPPP-UHFFFAOYSA-N,2,1,0.494,23,627,412.705,4.933,4,0.272,0.75,1.0,0.9049756699335206,0.9542354876293606,0.9964447262010828,0.9988691659241998,0.9636312624220409
EOS-2-41024,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1ccc(Cl)c(Cl)c1,LBJNUCCBDWTPLI-UHFFFAOYSA-N,2,1,0.615,59,570,487.297,5.356,5,0.334,0.79,1.0,0.6336954286889178,0.717222945651429,0.9561116441642108,0.9694332122541293,0.8191158076896717
EOS-2-41025,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)cc4Cl)n23)cc1,AKYPOGFIAZHIPK-UHFFFAOYSA-N,2,1,0.524,43,138,487.297,5.8,5,0.303,0.77,1.0,0.7948649852648894,0.8162223288328422,0.9792423411692139,0.9818295524638476,0.8930398019326982
EOS-2-41026,Cn1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1-c1ccc(Cl)c(Cl)c1,DLJKNKJAWDPYKZ-UHFFFAOYSA-N,2,1,0.477,34,570,487.297,5.356,5,0.334,0.76,0.994,0.5768453156055102,0.6736258652594065,0.9521965595229936,0.9674456856966623,0.7925283565211432
EOS-2-41027,FC(F)n1c(Cl)ccc1-c1cccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,CZGYRFJCOWKBGR-UHFFFAOYSA-N,2,1,0.478,1,666,487.297,5.936,5,0.278,0.65,1.0,0.7636642450825851,0.7709546981015695,0.9754214927009801,0.9742221232266466,0.8710656397779453
EOS-2-41028,Cn1nc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)cc1-c1ccc(Cl)cc1F,ZJBHDTKXLVLQAI-UHFFFAOYSA-N,2,1,0.483,34,146,487.297,5.356,5,0.334,0.73,0.999,0.5658539510657254,0.6785090124049071,0.9437667055033925,0.9664176547186621,0.7886368309231718
EOS-2-41029,Cn1c(Cl)nc(-c2ccc(F)c(F)c2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,UHRSHKDHIHAQCG-UHFFFAOYSA-N,2,1,0.588,34,929,487.297,5.356,5,0.334,0.65,1.0,0.9302395312178741,0.9510228908231101,0.8986104447947365,0.937589952710575,0.9293657048865739
EOS-2-41030,Cn1cc(-c2cncc3nnc(-c4ccc(Cl)c(OCc5cc(F)ccc5Cl)c4F)n23)cn1,HLBUKPHEEOOVBC-UHFFFAOYSA-N,2,1,0.344,45,607,487.297,5.356,5,0.334,0.77,1.0,0.3706394352683161,0.5772393941470769,0.9685251182235625,0.9721831951202796,0.7221467856898088
EOS-2-41031,Clc1ccc(Cl)c(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)o2)c1,IVKCFLVBAKPFOS-UHFFFAOYSA-N,2,1,0.354,32,572,487.31,5.272,6,0.331,0.69,0.685,0.21929614145706258,0.4183315057227058,0.6252227400452334,0.7608114591186348,0.5059154615859092
EOS-2-41032,Clc1cnc(-c2nc(Cl)ccc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,FOXTYUFBIBECRN-UHFFFAOYSA-N,2,1,0.316,42,174,487.31,5.272,6,0.31,0.63,1.0,0.3998697827427867,0.4494123089575766,0.5820711397436776,0.704895140840244,0.5340620930710712
EOS-2-41033,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)cc2Cl)o1,PEZNQUUJGPEYPZ-UHFFFAOYSA-N,2,1,0.306,42,693,487.31,5.272,6,0.331,0.7,1.0,0.3003735179220067,0.4272154067575903,0.6308169419505174,0.707859296826811,0.5165662908642313
EOS-2-41034,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cn5)n34)n2)nn1,CNZAPDYJMHTLJG-UHFFFAOYSA-N,2,1,0.326,10,871,487.314,4.198,6,0.364,0.68,0.812,0.014186827496401891,0.18723014186827497,0.3645911863477486,0.5727674593927764,0.28469390377630044
EOS-2-41035,Clc1nccc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)c(-c6ccccn6)c5)n34)nn2)n1,JLVLMVONCPEYRY-UHFFFAOYSA-N,2,1,0.3,10,872,487.314,4.198,6,0.34,0.68,0.986,0.018555959152902476,0.2201956685628127,0.4528390788842437,0.6065125762456308,0.32452582071139746
EOS-2-41036,COc1cc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1n[nH]c(=O)s1,XMXRPYSHVGUDQC-UHFFFAOYSA-N,2,1,0.478,13,209,487.328,4.711,5,0.383,0.63,0.998,0.6281526283325337,0.7080649030224111,0.6712785278596395,0.6995408128298266,0.6767592180111028
EOS-2-41037,COc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4nnc(Cl)s4)nn3)n12,QFFOEHPNEAPFIN-UHFFFAOYSA-N,2,1,0.462,53,226,487.332,3.994,5,0.351,0.67,1.0,0.6113614556918648,0.7451082859296827,0.23979679254334865,0.30765540401617436,0.4759804845452676
EOS-2-41038,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(O)cc5Cl)n34)cn2)s1,VFALHRJWULDFMT-UHFFFAOYSA-N,2,1,0.432,59,109,487.332,3.709,5,0.344,0.53,0.999,0.582448084435611,0.6162017682132822,0.5391679802618052,0.5791498183811938,0.5792419128229731
EOS-2-41039,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc(Cl)n2)cn1,KZCBMSFMEVUJNI-UHFFFAOYSA-N,2,1,0.517,58,525,487.347,5.377,5,0.3,0.66,1.0,0.9262644781029402,0.9404427386745254,0.7923634432184223,0.847457336714413,0.8766319991775753
EOS-2-41040,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cncnc1Cl,HLTKDAFYMRCFMX-UHFFFAOYSA-N,2,1,0.522,37,639,487.347,5.377,5,0.3,0.7,1.0,0.960078130354328,0.9532160235761771,0.8512781851826469,0.8891953944212185,0.9134419333835926
EOS-2-41041,Cc1nc(-c2ccc(F)cc2Cl)cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)n1,HBTXEIUQRDPNHE-UHFFFAOYSA-N,2,1,0.446,44,500,487.347,5.643,5,0.319,0.69,1.0,0.794873552189706,0.7879771777122884,0.772668083064903,0.8438592282914125,0.7998445103145775
EOS-2-41042,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)c(Cl)n4)n23)c1,PVYYHKUFEZLNDL-UHFFFAOYSA-N,2,1,0.506,84,442,487.347,5.377,5,0.3,0.56,1.0,0.7338256459461312,0.77506682201357,0.8476715098348296,0.89998971969022,0.8141384243711877
EOS-2-41043,Fc1cc(-c2ncncc2Cl)ccc1-c1nnc2cncc(OCCc3ccc(Cl)s3)n12,QRHQLYOEYCXTMT-UHFFFAOYSA-N,2,1,0.5,37,563,487.347,5.377,5,0.32,0.73,1.0,0.9581420053457611,0.9478445617161264,0.7967068741004729,0.8612500856692482,0.8909858817079022
EOS-2-41044,Fc1c(-c2nccs2)ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1Cl,XZDCIHPUDWTCSB-UHFFFAOYSA-N,2,1,0.545,11,141,487.347,5.377,5,0.32,0.6,1.0,0.8708364745390994,0.9055753546706874,0.7773027893907203,0.8359862243848948,0.8474252107463505
EOS-2-41045,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cnc(Cl)nc1,BWNGUBDNPZTBLG-UHFFFAOYSA-N,2,1,0.523,37,716,487.347,5.377,5,0.3,0.75,1.0,0.9672657802755124,0.9608577205126447,0.8366630114454116,0.8723870879309163,0.9092934000411212
EOS-2-41046,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cn2)cc1,GWJYLKWJOSBRPR-UHFFFAOYSA-N,2,1,0.787,91,660,487.35,5.653,5,0.307,0.82,1.0,0.985299157014598,0.982694811870331,0.9479473648139264,0.9583818792406278,0.9685808032348708
EOS-2-41047,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cnc(C(F)(F)F)cn5)nn4)n23)c1F,HOAIVFJZRXKTMB-UHFFFAOYSA-N,2,1,0.372,54,564,487.352,3.309,5,0.344,0.55,0.993,0.7309385922829141,0.6687941196628059,0.9129686107874717,0.8380765540401618,0.7876944691933384
EOS-2-41049,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(C(F)(F)F)c5)n34)cn2)c(F)c1,MDDCIKQWIIAONT-UHFFFAOYSA-N,2,1,0.639,57,236,487.363,6.082,5,0.288,0.77,1.0,0.957396682886711,0.972662942910013,0.9987063943526832,0.9983894181344665,0.9817888595709684
EOS-2-41050,Fc1ccc(Oc2ncccc2-c2nnc3cncc(-c4ccc(F)c(C(F)(F)F)c4)n23)cc1F,OPROYMSGEYURSS-UHFFFAOYSA-N,2,1,0.435,45,236,487.363,6.082,5,0.288,0.74,1.0,0.7458964430128161,0.8486224384894798,0.9981838119388664,0.9973613871564663,0.8975160201494071
EOS-2-41051,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5F)n34)n2)o1,SGMUNKDJJCHHHX-UHFFFAOYSA-N,2,1,0.454,27,268,487.373,3.982,5,0.328,0.62,0.985,0.7666712356932356,0.8199746419025427,0.8880388595709684,0.7608200260434514,0.8088761908025495
EOS-2-41052,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)c(F)c5)n34)cn2)no1,YWFZGDDZFSGILV-UHFFFAOYSA-N,2,1,0.516,27,343,487.373,4.161,5,0.326,0.69,1.0,0.8162822973065589,0.8416746624631622,0.9112552258241382,0.8140720307038586,0.8458210540744294
EOS-2-41053,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4nc(Cl)sc4Cl)n23)cc1,MGYWLARHKBPHTE-UHFFFAOYSA-N,2,1,0.5,15,734,487.376,4.455,5,0.335,0.55,1.0,0.6252741415941334,0.5825080529093277,0.13061990267973408,0.2268950037694469,0.39132427523816055
EOS-2-41054,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(Cl)nsc4Cl)n23)ccn1,UNARHAMNDBKMDV-UHFFFAOYSA-N,2,1,0.495,75,624,487.376,4.455,5,0.335,0.6,1.0,0.4500291275443767,0.4757898704680968,0.19382667397710918,0.29198649852648895,0.35290804262901787
EOS-2-41055,Cn1ncnc1-c1nnc(Oc2cncc3nnc(-c4ccc(OCC(F)(F)F)cc4)n23)cc1F,USTAWKNCYSCCHM-UHFFFAOYSA-N,2,1,0.483,36,706,487.377,3.249,5,0.333,0.74,1.0,0.7605287505996847,0.7668597080392022,0.7190391337125626,0.588299294085395,0.7086817216092112
EOS-2-41056,Cc1onc(-c2ccc(F)c(F)c2)c1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,UFSNXKUYWYKBNI-UHFFFAOYSA-N,2,1,0.566,43,138,487.388,5.631,5,0.299,0.75,1.0,0.9574052498115276,0.9432184223151258,0.9899595641148653,0.9796107189363306,0.9675484887944623
EOS-2-41057,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4ccn(C(F)F)n4)c(F)n3)n12,DSDUHTUDYOPTDX-UHFFFAOYSA-N,2,1,0.454,19,442,487.392,4.484,5,0.249,0.59,1.0,0.6640137756151052,0.6590106915221712,0.9235401960112398,0.9033907888424371,0.7874888629977383
EOS-2-41058,Cn1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4F)n23)c(-c2ccc(F)cn2)n1,ZMVKUPQQEXAXHW-UHFFFAOYSA-N,2,1,0.511,27,51,487.392,4.463,5,0.341,0.61,1.0,0.6113700226166815,0.7750753889383867,0.9737423754369131,0.9494037420327599,0.8273978822561853
EOS-2-41059,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)c(F)c(F)c(F)c4F)n23)cc1,UPWZPVSZDMQCRX-UHFFFAOYSA-N,2,1,0.575,88,607,487.392,3.904,5,0.205,0.64,0.999,0.7948821191145227,0.7958501816188062,0.9417706120211089,0.9180573641285724,0.8626400692207525
EOS-2-41060,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nncn5CC(F)(F)F)cc4)n23)cc1F,GLYSTVZLKWCHFP-UHFFFAOYSA-N,2,1,0.697,43,520,487.392,4.469,5,0.329,0.7,1.0,0.9594527448427113,0.905583921595504,0.9701185662394627,0.9494123089575766,0.9461418854088136
EOS-2-41061,Cn1nc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cc1-c1ccc(F)c(F)c1,GUGHYYKHQXMHTO-UHFFFAOYSA-N,2,1,0.5,95,998,487.392,4.463,5,0.341,0.72,0.999,0.5393221849085053,0.5772479610718936,0.97508738263313,0.9417791789459256,0.7583591768898635
EOS-2-41062,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)c(F)c(F)c(F)c4F)n23)cc1,ORYSVRGEFHSVFQ-UHFFFAOYSA-N,2,1,0.605,88,520,487.392,3.904,5,0.205,0.64,1.0,0.9237629360564732,0.8779812898362004,0.9287574532245905,0.902337057089987,0.9082096840518128
EOS-2-41063,FC(F)(F)c1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)nn1,WRYKPZYXVUFBOG-UHFFFAOYSA-N,2,1,0.316,9,537,487.409,3.509,6,0.396,0.66,1.0,0.27864779658693717,0.32271605784387636,0.6013724213556302,0.5033925022274005,0.426532194503461
EOS-2-41064,COc1nc(-c2nnc3cncc(OCc4ncc(F)c(-c5nc[nH]n5)n4)n23)ccc1-c1ccno1,MARLHQFWIFBEAK-UHFFFAOYSA-N,2,1,0.321,51,584,487.415,2.143,6,0.349,0.43,1.0,0.5213230758686862,0.45815057227057776,0.0562589952710575,0.03957062572818861,0.26882581728462757
EOS-2-41065,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)c(F)c(F)c1F,IAJJGBVUQBMQSZ-UHFFFAOYSA-N,2,1,0.273,30,673,487.42,5.262,6,0.193,0.73,0.984,0.020552052635186075,0.20529778630662737,0.9561202110890274,0.9596583510383113,0.5354071002672881
EOS-2-41066,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)cc5OC(F)F)n34)cn2)no1,WWMHSLJZIXFIHA-UHFFFAOYSA-N,2,1,0.336,42,693,487.426,5.073,6,0.317,0.7,0.999,0.6225155918031663,0.5301641422794874,0.7035244328695771,0.6506665067507368,0.626717668425742
EOS-2-41067,Cc1onc(-c2cccc(F)c2F)c1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,XMWTXVBTJFOJGH-UHFFFAOYSA-N,2,1,0.506,77,323,487.426,4.662,6,0.33,0.62,1.0,0.8293211568775273,0.7493831814131999,0.6308255088753341,0.5974744705640463,0.7017510794325269
EOS-2-41068,N#Cc1ccc(-c2cncc(COc3cncc4nnc(-c5c[nH]c(=O)c(OC(F)F)c5)n34)c2)cc1,GSZMANYIJQTQJQ-UHFFFAOYSA-N,2,1,0.489,97,91,487.426,3.594,5,0.369,0.75,1.0,0.6454064149133028,0.5533119731341237,0.9277722568706737,0.8918597080392022,0.7545875882393256
EOS-2-41069,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ncc(F)c(C#N)n1,PTQPEDHPAWJVGV-UHFFFAOYSA-N,2,1,0.431,49,896,487.43,2.818,5,0.337,0.59,0.991,0.8341015009252278,0.7031474881776437,0.3235299157014598,0.2654804331437187,0.5315648344870125
EOS-2-41070,Cn1nc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)cc1-c1ccc(F)c(F)c1,ISCPRRIIUZWQAY-UHFFFAOYSA-N,2,1,0.42,81,218,487.43,3.494,6,0.347,0.63,0.254,0.4244225892673566,0.35162942910013023,0.4490439311904599,0.4441093824960592,0.4173013330135015
EOS-2-41071,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5nnnc5-c5ccccc5)o4)n23)cn1,FOCRNXGIKFEYML-UHFFFAOYSA-N,2,1,0.484,81,700,487.43,3.939,6,0.329,0.56,0.992,0.4129257761633884,0.41373106709615515,0.48774929751216506,0.4537129052155438,0.4420297614968131
EOS-2-41072,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc6cnccn56)n4)n23)cc1,BGVRBABTRUQGIS-UHFFFAOYSA-N,2,1,0.671,27,996,487.43,3.471,6,0.334,0.64,1.0,0.6113785895414982,0.6492358303063532,0.5883592625591118,0.5727760263175931,0.6054374271811391
EOS-2-41073,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccno6)c(F)c5)n34)ncc2F)cn1,RKNNITDPGRVOJO-UHFFFAOYSA-N,2,1,0.435,51,518,487.43,3.494,6,0.347,0.66,1.0,0.5943903776300459,0.5490113768761565,0.48413405523953124,0.4537214721403605,0.5203143204715235
EOS-2-41074,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4cccnc4-c4cccc(OC(F)F)c4)n23)no1,ADXXDFQUESRIMK-UHFFFAOYSA-N,2,1,0.355,98,314,487.43,3.905,6,0.344,0.63,0.991,0.3661417997395655,0.4043245836474539,0.4977126310739497,0.5066736344321843,0.4437131622232883
EOS-2-41075,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nnnn5-c5ccc(F)cc5F)n34)cn2)cn1,QARGIALFFZVLNI-UHFFFAOYSA-N,2,1,0.386,71,468,487.434,2.42,6,0.348,0.63,1.0,0.28138921252827087,0.40886505380028787,0.26464944143650193,0.31699335206634227,0.31797426495785075
EOS-2-41076,FC(F)n1ccc(-c2ncnc(COc3cncc4nnc(-c5ccc(-c6c[nH]cn6)cc5)n34)n2)n1,VPORXKSLJKGAQR-UHFFFAOYSA-N,2,1,0.396,56,428,487.434,3.204,6,0.36,0.55,1.0,0.48863169076828183,0.41834007264752243,0.3456240148036461,0.2919950654513056,0.38614771091768896
EOS-2-41077,FC(F)n1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)n1,FFXNEDYXBCQARX-UHFFFAOYSA-N,2,1,0.511,56,893,487.434,3.204,6,0.36,0.62,1.0,0.41520457816462203,0.4364591186347749,0.5291446782263038,0.4251422109519567,0.45148764649441436
EOS-2-41078,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnnn4-c4ccc(F)c(F)c4)n23)cc1,GYTCMYAEPCEZKW-UHFFFAOYSA-N,2,1,0.473,67,807,487.434,2.42,6,0.348,0.62,1.0,0.4639161126721952,0.5258378452470701,0.25743609074086765,0.31997464190254266,0.3917911726406689
EOS-2-41079,Fc1cc(-c2nnc3cncc(OCc4csnc4-c4ccccc4F)n23)ccc1OC(F)F,HJJOWBLIIZMDSU-UHFFFAOYSA-N,2,1,0.568,1,679,487.438,5.373,5,0.287,0.68,1.0,0.8708450414639161,0.929956822698924,0.9577907614282777,0.95009766294291,0.9271725721335069
EOS-2-41080,N#Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)c2)cc1,UCQBHWWWLSEOBL-UHFFFAOYSA-N,2,1,0.658,79,640,487.441,5.808,5,0.301,0.8,1.0,0.9874066205194983,0.9764066890548968,0.9947484750873826,0.9906877527242821,0.987312384346515
EOS-2-41081,N#Cc1cccc(Oc2ccc(-c3nnc4cncc(OCc5ccccc5C(F)(F)F)n34)cc2)c1,JOODAFHBCGLGAF-UHFFFAOYSA-N,2,1,0.578,79,590,487.441,6.053,5,0.29,0.82,1.0,0.992495373860599,0.977409019258447,0.9945428688917826,0.9875779590158317,0.9880063052566651
EOS-2-41082,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnc(C(F)(F)F)nc5)c(F)c4)n23)n1,UECXYUHIGQAEOT-UHFFFAOYSA-N,2,1,0.542,27,716,487.442,4.75,5,0.331,0.64,1.0,0.7459050099376328,0.8312230141868275,0.8476800767596464,0.7049037077650606,0.7824279521622919
EOS-2-41083,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccn(Cc6cc(F)c(F)cc6F)n5)n34)cn2)cn1,MUIUMBMZJXHJLC-UHFFFAOYSA-N,2,1,0.283,10,151,487.449,3.916,6,0.343,0.61,1.0,0.22481324103899664,0.3612158179699815,0.7990970461243232,0.7826656843259544,0.5419479473648139
EOS-2-41084,Cn1c(CF)nc(-c2ccc(F)c(F)c2)c1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,AXUAWMJRYTYTSO-UHFFFAOYSA-N,2,1,0.262,9,7,487.449,4.392,6,0.387,0.63,1.0,0.2654890000685354,0.322724624768693,0.5156175039407854,0.6065211431704476,0.42758806798711535
EOS-2-41085,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)nc1C(F)(F)F,CFRWUYBXRCKJCH-UHFFFAOYSA-N,2,1,0.396,93,774,487.449,4.458,6,0.365,0.69,1.0,0.024766979644986635,0.17008772531012267,0.7541292577616339,0.6995493797546433,0.4121333356178466
EOS-2-41086,Cn1nnnc1CCOc1cncc2nnc(-c3ccc(-n4c(O)c5ccccc5c4O)c(F)c3)n12,LQWSYZGWHINOGT-UHFFFAOYSA-N,2,1,0.489,72,54,487.455,2.43,6,0.362,0.29,0.014,0.4685936536220958,0.5076416969364677,0.1276900143924337,0.17845761085600712,0.3205957439517511
EOS-2-41087,COc1cc(-c2nnc3cncc(OCc4cncc(-c5nnsn5)n4)n23)ccc1-c1nnco1,JOFHLHSNVQNFTK-UHFFFAOYSA-N,2,1,0.408,71,614,487.465,2.132,6,0.322,0.58,1.0,0.27077479268041943,0.2008515523267768,0.04547323692687273,0.03185182646837091,0.13723785210060999
EOS-2-41088,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc5c(c4)OCCN5c4ccccc4)n23)cc1,DIMIQCAUXVGYMO-UHFFFAOYSA-N,2,1,0.688,79,590,487.466,5.716,6,0.303,0.75,1.0,0.7865293674182715,0.5719107669111095,0.888047426495785,0.8259971900486601,0.7681211877184565
EOS-2-41089,FC(F)Cn1cc(-c2cc(-c3nnc4cncc(OCCc5c[nH]c6cccnc56)n34)ccn2)cn1,HUXAUPNUCOAADA-UHFFFAOYSA-N,2,1,0.434,75,329,487.474,3.813,6,0.347,0.62,1.0,0.4152131450894387,0.3516379960249469,0.5257521759989034,0.48737235282023167,0.4449939174833802
EOS-2-41090,O=[N+]([O-])c1cc(Oc2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4ccncc4)cn3)n12,XZHLBGOPZIUWOV-UHFFFAOYSA-N,2,1,0.344,17,960,487.479,5.616,6,0.219,0.76,0.999,0.23590740867658144,0.020355013364402715,0.5916146939894456,0.45674559660064423,0.32615567815776847
EOS-2-41091,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)ncc2F)s1,FMRTVMSGNPABON-UHFFFAOYSA-N,2,1,0.484,81,117,487.48,3.781,6,0.342,0.71,1.0,0.6730261805222397,0.6206308683434995,0.22512165033239667,0.20934994174491126,0.43203216023576174
EOS-2-41092,Cc1nnncc1-c1cc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4F)n23)on1,LZPJRUKCKRJRCX-UHFFFAOYSA-N,2,1,0.433,6,247,487.48,3.781,6,0.342,0.61,1.0,0.6252827085189501,0.6981615379343431,0.2684445891302858,0.2565022959358509,0.4620977828798575
EOS-2-41093,N#Cc1cc(COc2cncc3nnc(-c4ccnc(-c5noc(Cc6ccccc6)n5)c4)n23)ccn1,LSXQABQIMWQUDL-UHFFFAOYSA-N,2,1,0.443,28,942,487.483,3.673,6,0.327,0.67,1.0,0.447519018573093,0.389932149955452,0.3496933040915633,0.3229987663628264,0.3775358097457337
EOS-2-41094,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)s4)n23)c(F)c1,SFESSTNNQXOXHY-UHFFFAOYSA-N,2,1,0.449,71,49,487.484,2.613,6,0.345,0.64,0.983,0.5086440271400178,0.534841683229388,0.07884140908779384,0.09938489479816325,0.3054280035638407
EOS-2-41095,c1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(-c6nc7ccccn7n6)cc5)n34)n2)cc1,KLYREXHDMBHOTJ-UHFFFAOYSA-N,2,1,0.415,77,288,487.487,3.056,7,0.348,0.55,1.0,0.3233671441299431,0.26103419916386816,0.08112021108902748,0.10783188266739771,0.19333835926255913
EOS-2-41096,COc1cnc(F)c(COc2cncc3nnc(-c4ccnc(-c5cnc(CN(C)C)nc5)c4)n23)c1,FOIOGJSCDRPJOA-UHFFFAOYSA-N,2,1,0.4,75,441,487.499,2.827,5,0.303,0.65,1.0,0.4959564114865328,0.49375471180864916,0.30153005277225686,0.14174833801658557,0.3582473785210061
EOS-2-41097,Cn1c(COc2cncc3nnc(-c4ccc(-c5nc(CO)co5)cc4)n23)nnc1-c1nccs1,CKACYFZSHZAUCN-UHFFFAOYSA-N,2,1,0.427,81,415,487.505,2.77,6,0.357,0.69,1.0,0.39987834966760333,0.37083647453909946,0.026848742375436913,0.023481940922486465,0.20526137687615653
EOS-2-41098,Oc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Oc6ccccn6)cc5)cc4)n23)c1,PXXNQXRQLCGYNN-UHFFFAOYSA-N,2,1,0.523,17,47,487.519,5.93,6,0.298,0.74,1.0,0.6701905284079227,0.5076502638612843,0.8542509080940306,0.7897076965252553,0.7054498492221232
EOS-2-41099,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(-c6ccccc6)nn5)n4)n23)cc1,HDZAJOOWPRMJCP-UHFFFAOYSA-N,2,1,0.484,12,897,487.523,4.382,6,0.353,0.74,0.998,0.5241672949078199,0.41373963402097186,0.5883678294839284,0.5401617435405387,0.5166091254883147
EOS-2-41100,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)cc2)cn1,FONHEIYUJYPJEY-UHFFFAOYSA-N,2,1,0.535,12,427,487.523,4.898,6,0.314,0.81,1.0,0.7749811527654034,0.3945925570557193,0.6045336166129806,0.4873809197450483,0.5653720615447879
EOS-2-41101,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)cc2)nn1,MYTWCOYFMXOGEM-UHFFFAOYSA-N,2,1,0.56,17,593,487.523,5.323,6,0.298,0.79,1.0,0.754694674799534,0.46699163868137894,0.6338582002604345,0.5664193681036255,0.6054909704612432
EOS-2-41102,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccn6)cc5)n34)cc2)nn1,IJKRZHVBJNNKJL-UHFFFAOYSA-N,2,1,0.511,77,593,487.523,5.323,6,0.298,0.77,1.0,0.5972088958947296,0.42722397368240694,0.6520372147214036,0.5302669453772874,0.5516842574189569
EOS-2-41103,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nnc(C)s6)cc5F)n34)n(C)n2)n(C)n1,SZKKBATYSFCFNG-UHFFFAOYSA-N,2,1,0.318,98,424,487.528,3.262,6,0.372,0.6,1.0,0.1172554999657323,0.23543622781166473,0.03138064560345418,0.03510725789870468,0.10479490781988897
EOS-2-41104,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)nc5)n34)cc2)cc1,XKCHXGUJVXQASM-UHFFFAOYSA-N,2,1,0.692,21,47,487.538,6.281,6,0.265,0.81,1.0,0.9797649235830307,0.9701185662394627,0.8880559934206017,0.8904718662189021,0.9321028373654994
EOS-2-41105,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)cc5)n34)c2)nc1,JSOQCKIWIPQPHQ-UHFFFAOYSA-N,2,1,0.639,21,47,487.538,6.281,6,0.265,0.77,1.0,0.932484065519841,0.8830529093276678,0.8914570625728189,0.8892039613460352,0.8990494996915908
EOS-2-41106,Fc1ccccc1-c1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,VVIAQSURCBKUIK-UHFFFAOYSA-N,2,1,0.634,21,47,487.538,6.281,6,0.265,0.77,1.0,0.9745390994448633,0.9659293400041121,0.9042389143992873,0.8987989171407031,0.9358765677472415
EOS-2-41107,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)cc1,BAXCGYARUPFJLK-UHFFFAOYSA-N,2,1,0.705,21,47,487.538,6.281,6,0.265,0.83,1.0,0.9834315674045645,0.9787797272291139,0.9092591323418545,0.9033993557672538,0.9437174456856966
EOS-2-41108,CC(C)(O)Cn1cc(-c2cc(-c3nnc4cncc(OCCCc5ccccn5)n34)ccc2F)cn1,NBIPWSKDWRPBJN-UHFFFAOYSA-N,2,1,0.447,15,545,487.539,3.971,5,0.314,0.63,1.0,0.5600284421903914,0.5490199438009732,0.4667860324857789,0.35826879583304777,0.4835258035775478
EOS-2-41109,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,QBUZDJJJZBRAET-UHFFFAOYSA-N,2,1,0.59,15,931,412.457,3.086,5,0.405,0.76,1.0,0.3208741690082928,0.1394267013912686,0.1427506682201357,0.1283239668288671,0.18284387636214106
EOS-2-41110,CCn1cnc(-c2cncc(-c3nnc4cncc(OCc5cccc(C)n5)n34)c2)c1,QFAIRYMMQISCKD-UHFFFAOYSA-N,2,1,0.432,92,464,412.457,3.352,5,0.422,0.67,1.0,0.2600147351106847,0.16224042217805495,0.26123980535946817,0.15411897745185388,0.20940348502501543
EOS-2-41111,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(C)c5)n34)c2)cn1,QQGGQYLIHVIXRG-UHFFFAOYSA-N,2,1,0.413,92,711,412.457,3.352,5,0.422,0.71,1.0,0.15560962236995407,0.07289596326502638,0.2906671921047221,0.1813189637447742,0.1751229353711192
EOS-2-41112,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)ccn2)cn1,LNXJZBLYIRIKOD-UHFFFAOYSA-N,2,1,0.518,75,329,412.457,2.912,5,0.423,0.76,1.0,0.4292029333150572,0.2767202385031869,0.2761376876156535,0.18949181001987528,0.29288816736344325
EOS-2-41113,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cn(C)cn5)nc4)n23)ccn1,OXTQGRAFZXBWHB-UHFFFAOYSA-N,2,1,0.533,65,981,412.457,2.912,5,0.423,0.69,1.0,0.5855921458433281,0.43188438078267427,0.26465800836131864,0.17008772531012267,0.36305556507436093
EOS-2-41114,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cn(C)nc5C)nc4)n23)cn1,GWUXYLMNMJFCKT-UHFFFAOYSA-N,2,1,0.628,92,205,412.457,3.178,5,0.437,0.81,1.0,0.32088273593310945,0.12541121239120007,0.26845315605510245,0.15412754437667056,0.21721866218902064
EOS-2-41115,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2C)cn1,SDUXJZMOHHRTDF-UHFFFAOYSA-N,2,1,0.54,95,235,412.457,2.912,5,0.423,0.78,1.0,0.2707833596052361,0.12171030087039957,0.14882461791515317,0.10784044959221438,0.1622896819957508
EOS-2-41116,Cc1ncc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)n(C)n4)n23)cn1,RBSNBGQNNUIWTD-UHFFFAOYSA-N,2,1,0.506,95,54,412.457,2.912,5,0.423,0.74,0.998,0.33830786101021176,0.10247755465698033,0.12495716537591667,0.10784901651703105,0.16839789939003494
EOS-2-41117,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)nn1,XLXBUYXHKUJYFU-UHFFFAOYSA-N,2,1,0.531,19,54,412.457,3.086,5,0.405,0.78,0.979,0.37064800219313276,0.11835206634226578,0.13994071688026866,0.13705366321705162,0.1914986121581797
EOS-2-41118,CCn1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1,OUTJEJNXWPIIAB-UHFFFAOYSA-N,2,1,0.512,65,349,412.457,3.086,5,0.405,0.65,1.0,0.382221917620451,0.1914022342539922,0.29419676512918924,0.21264820779932836,0.2701172812007402
EOS-2-41119,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)cn1,QHEXPALQIKTDCG-UHFFFAOYSA-N,2,1,0.59,75,329,412.457,3.086,5,0.405,0.82,1.0,0.2813977794530875,0.102486121581797,0.2467531354944829,0.18132753066959084,0.20299114179973957
EOS-2-41120,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1,RMRRCARUHFRNFT-UHFFFAOYSA-N,2,1,0.584,15,187,412.457,3.086,5,0.405,0.68,1.0,0.5943989445548626,0.3708450414639161,0.1805136728120074,0.15692036186690425,0.32566950517442256
EOS-2-41121,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cc2)cn1,DYTOPPLHMQXARM-UHFFFAOYSA-N,2,1,0.511,15,519,412.457,3.086,5,0.405,0.75,1.0,0.4221609211157563,0.3565297100952642,0.19383524090192583,0.15958467548488794,0.28302763689945853
EOS-2-41122,Cc1cncc(CCOc2cncc3nnc(-c4cccc(-c5ccn(C)n5)c4)n23)n1,CSBXRVWMWWLRID-UHFFFAOYSA-N,2,1,0.488,15,846,412.457,2.912,5,0.423,0.74,1.0,0.41738057706805565,0.302403879103557,0.1742598176958399,0.12833253375368378,0.2555942019052841
EOS-2-41123,CCn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cc2)n1,VYDQLQXWDZYZOC-UHFFFAOYSA-N,2,1,0.5,72,889,412.457,3.086,5,0.405,0.75,1.0,0.45003769446919334,0.3849461997121513,0.14883318483996985,0.12419470906723322,0.27700294702213696
EOS-2-41124,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,ZHYSWIZTCDNCIO-UHFFFAOYSA-N,2,1,0.433,18,211,412.457,3.086,5,0.405,0.65,1.0,0.2896734288259886,0.05372318552532383,0.22513021725721336,0.17296621204852305,0.1853732609142622
EOS-2-41125,Cc1cccnc1CCOc1cncc2nnc(-c3cncc(-c4nccn4C)c3)n12,SBTVBKSSRHCWFU-UHFFFAOYSA-N,2,1,0.511,65,184,412.457,2.912,5,0.423,0.69,1.0,0.39124288945240215,0.2559026111986841,0.1488417517647865,0.10566445068878076,0.22541292577616337
EOS-2-41126,Cn1nncc1-c1ccnc(-c2nnc3cncc(CCCOc4ccccc4)n23)c1,DNLDOHKERCZBKB-UHFFFAOYSA-N,2,1,0.364,85,54,412.457,2.993,5,0.379,0.7,0.986,0.08678294839284491,0.024929751216503326,0.10820026043451443,0.13037146186005072,0.08757110547597835
EOS-2-41127,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccccn4)n23)c1,LUAIGWRURQDFTA-UHFFFAOYSA-N,2,1,0.6,15,931,412.457,3.086,5,0.405,0.73,1.0,0.3776643136179837,0.24089335891988212,0.08605475978342814,0.08228531286409431,0.1967244362963471
EOS-2-41128,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,ZENFRDCEDWFMLV-UHFFFAOYSA-N,2,1,0.618,15,73,412.457,3.086,5,0.405,0.68,1.0,0.3454355424576794,0.1287523130697005,0.1488503186896032,0.15413611130148722,0.19429357137961756
EOS-2-41129,CC(C)n1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nn1,AIIVLVODPBVSEW-UHFFFAOYSA-N,2,1,0.505,4,700,412.457,3.605,5,0.42,0.74,1.0,0.1745253923651566,0.21018093345212802,0.1870074018230416,0.13470632581728462,0.17660501336440268
EOS-2-41130,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cn1,LHPKGZJSPBPCIU-UHFFFAOYSA-N,2,1,0.506,65,468,412.457,3.086,5,0.405,0.74,1.0,0.31606812418614216,0.2255157288739634,0.21453293125899528,0.1595932424097046,0.22892750668220138
EOS-2-41131,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cn(C)cn5)nc4)n23)cn1,FXALFLSTFOLLSO-UHFFFAOYSA-N,2,1,0.539,65,981,412.457,2.912,5,0.423,0.74,1.0,0.6197741758618326,0.42723254060722365,0.25408642313755053,0.16482763347268864,0.36648019326982384
EOS-2-41132,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cn(C)cn5)n34)cn2)nc1,LHGCMIHHGYHQFW-UHFFFAOYSA-N,2,1,0.484,65,579,412.457,2.912,5,0.423,0.65,1.0,0.4835343705023645,0.2817490233705709,0.18382907271605783,0.13038002878486737,0.2698731238434651
EOS-2-41133,CCn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2)n1,BVYQNBKDLLNKKT-UHFFFAOYSA-N,2,1,0.5,20,846,412.457,3.086,5,0.405,0.72,1.0,0.4173891439928723,0.33177129737509425,0.16141799739565485,0.12420327599204989,0.2586954286889178
EOS-2-41134,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncn(C)n5)cc4)n23)n1,OHSVPUYPQNJLFJ-UHFFFAOYSA-N,2,1,0.566,15,320,412.457,2.912,5,0.423,0.7,1.0,0.5944075114796793,0.4272411075320403,0.15809403056678775,0.10567301761359742,0.32135391679802616
EOS-2-41135,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c5)nc4)n23)n1,ZCIBZIISKXQVBS-UHFFFAOYSA-N,2,1,0.473,87,579,412.457,2.912,5,0.423,0.75,1.0,0.40192584469878695,0.2924833801658557,0.21454149818381194,0.13937529984236857,0.2620815057227058
EOS-2-41136,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnsc5)cn4)n23)nc1,FQRLSJMZFFBJGG-UHFFFAOYSA-N,2,1,0.456,46,119,412.438,3.155,5,0.432,0.72,1.0,0.37293537111918307,0.3995699403742033,0.4769806730176136,0.437667055033925,0.42178825988623125
EOS-2-41137,N#Cc1cncc(COc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)c1,JSYAMTAHRVWEMU-UHFFFAOYSA-N,2,1,0.476,2,419,412.438,3.155,5,0.432,0.66,1.0,0.5010280309780001,0.4538328421629772,0.5561133575491741,0.5034010691522172,0.5035938249605921
EOS-2-41138,N#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ccn2)cn1,NKCUGEPZKJAXBB-UHFFFAOYSA-N,2,1,0.482,51,441,412.438,3.155,5,0.432,0.79,1.0,0.5687067370296758,0.5030326913851004,0.4121376190802549,0.34222294565142897,0.456524998286615
EOS-2-41139,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)s5)n34)cc2)c1,HMXMEEUTZUDUOA-UHFFFAOYSA-N,2,1,0.314,38,653,412.434,4.83,6,0.409,0.63,1.0,0.2276231923788637,0.2610427660886848,0.43457439517510793,0.4661863477486122,0.34735667534781717
EOS-2-41140,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4c(-c5ccccc5)nn(C)c4C4CCC4)n23)c1,RTZABJHYEHZEFM-UHFFFAOYSA-N,2,1,0.309,25,642,487.571,4.922,7,0.343,0.67,1.0,0.0680470838187924,0.07290453018984305,0.03138921252827085,0.12624220409841683,0.07464575765883077
EOS-2-41141,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2)ccn1,ISHREHFMNTYERM-UHFFFAOYSA-N,2,1,0.61,35,201,412.428,4.009,5,0.392,0.78,1.0,0.9454115550681927,0.9432269892399424,0.7584641217188678,0.7349564800219314,0.8455147865122337
EOS-2-41142,Fc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1-c1cncnc1,STGUPHNYHLXYLM-UHFFFAOYSA-N,2,1,0.733,91,660,412.428,4.009,5,0.419,0.75,1.0,0.962091357686245,0.9625711054759784,0.7863408950723049,0.7782108834212871,0.8723035604139537
EOS-2-41143,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)n1,PLILMCGORPMDAJ-UHFFFAOYSA-N,2,1,0.518,1,92,412.428,4.275,5,0.429,0.86,1.0,0.6425193612500857,0.7493917483380166,0.6957199643615928,0.6590021245973545,0.6866582996367625
EOS-2-41144,CCOc1cncc2nnc(-c3cc(-c4ccc(-c5ccccc5F)cc4)ncn3)n12,ULUAKRDEBVYSBW-UHFFFAOYSA-N,2,1,0.448,44,130,412.428,4.453,5,0.424,0.79,0.881,0.7123055308066616,0.7172315125762456,0.7084504146391611,0.7214892742101295,0.7148691830580496
EOS-2-41145,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)c1,GPCDXNILRMMCAM-UHFFFAOYSA-N,2,1,0.662,11,393,412.428,4.009,5,0.419,0.87,1.0,0.8112106778150915,0.8312315811116442,0.732052292509081,0.7266893975738469,0.7752959872524159
EOS-2-41146,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nn1,FKLNFIOXSDIOAL-UHFFFAOYSA-N,2,1,0.699,79,824,412.428,4.009,5,0.419,0.81,1.0,0.947955931738743,0.9267956274415736,0.6577513535741211,0.6534421903913371,0.7964862757864436
EOS-2-41147,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)nn1,KSNSLMUIYSXNOR-UHFFFAOYSA-N,2,1,0.587,1,23,412.428,4.275,5,0.429,0.78,1.0,0.7605373175245014,0.8546706874100473,0.7110975944075115,0.7049122746898773,0.7578044685079843
EOS-2-41148,Cc1nc(COc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)ccc1F,AMRLKKWUCUWRKA-UHFFFAOYSA-N,2,1,0.541,1,700,412.428,4.275,5,0.429,0.75,0.997,0.6029573024467137,0.634826262764718,0.5692121855938592,0.5501250771023234,0.5892802069769036
EOS-2-41149,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,VOGWFLLPRYAAOH-UHFFFAOYSA-N,2,1,0.628,35,234,412.428,4.009,5,0.419,0.79,1.0,0.9081539990405044,0.9315931053389076,0.7423240353642656,0.734965046946748,0.8292590466726064
EOS-2-41150,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,OCAIDHLWUCOLMT-UHFFFAOYSA-N,2,1,0.731,91,660,412.428,4.009,5,0.419,0.79,1.0,0.9650726475224454,0.9672315125762456,0.7395397847988486,0.7349736138715647,0.8517043896922761
EOS-2-41152,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cc1,CDUIWDCYRARAGL-UHFFFAOYSA-N,2,1,0.645,19,691,412.428,4.009,5,0.419,0.87,0.997,0.9067661572202043,0.8577547803440477,0.6132975807004317,0.6621718867795217,0.7599976012610514
EOS-2-41153,Fc1cc(CCOc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)ccn1,XZYUORXVZTWHMD-UHFFFAOYSA-N,2,1,0.556,11,201,412.428,4.009,5,0.392,0.71,0.999,0.8437564251936125,0.8002707148242068,0.6045421835377973,0.6129292029333151,0.7153746316222329
EOS-2-41154,Cc1cccc(COc2cncc3nnc(-c4cc(F)cc(-c5ccccn5)c4)n23)n1,CODQKLNGSZKXBI-UHFFFAOYSA-N,2,1,0.63,1,92,412.428,4.275,5,0.429,0.81,1.0,0.5445822767459393,0.5348502501542046,0.6795199095332739,0.6331985470495511,0.5980377458707422
EOS-2-41155,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)cn5)cc4)n23)nc1,LJBJOPXHBXKANH-UHFFFAOYSA-N,2,1,0.494,1,348,412.428,4.275,5,0.429,0.79,1.0,0.8846120896443013,0.6931413199917758,0.7320608594338976,0.6882496059214585,0.7495159687478583
EOS-2-41156,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1,ZLOMLRACSNJIJI-UHFFFAOYSA-N,2,1,0.467,11,198,412.428,4.009,5,0.419,0.8,1.0,0.7309471592077308,0.7263638544308135,0.5979970529778631,0.6332071139743678,0.6721287951476939
EOS-2-41157,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nn5)c4)n23)cc1,JYVVAZGDKNNDCH-UHFFFAOYSA-N,2,1,0.549,43,613,412.428,4.275,5,0.429,0.78,1.0,0.9454201219930094,0.8610016448495648,0.7681190459872524,0.7214978411349462,0.8240096634911931
EOS-2-41158,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)c(F)c1,PHQOXMNOHIGYTL-UHFFFAOYSA-N,2,1,0.512,43,433,412.428,4.275,5,0.429,0.81,1.0,0.8483825645946131,0.8577633472688644,0.792372010143239,0.7583013501473511,0.8142048180385169
EOS-2-41159,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)nc1,AFFDKVMQXYFNSD-UHFFFAOYSA-N,2,1,0.581,11,201,412.428,4.009,5,0.419,0.77,1.0,0.90022102666027,0.8239411280926598,0.6957285312864094,0.6827410732643411,0.77565793982592
EOS-2-41160,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)c1,QXQPWAMMAWVENX-UHFFFAOYSA-N,2,1,0.658,11,56,412.428,4.009,5,0.419,0.81,1.0,0.9142365156603386,0.9117521074635049,0.6875299842368583,0.6855938592282914,0.7997781166472483
EOS-2-41161,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)c(F)c4)n23)cc1,BVMZMSNGLRWFAH-UHFFFAOYSA-N,2,1,0.64,97,230,412.428,4.275,5,0.429,0.8,1.0,0.965081214447262,0.8858799945171681,0.8258858200260435,0.7755894044273868,0.8631091083544651
EOS-2-41162,Fc1cncc(CCOc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)c1,JGKUQYGIJAFLER-UHFFFAOYSA-N,2,1,0.552,11,201,412.428,4.009,5,0.419,0.81,1.0,0.8882187649921184,0.8199832088273593,0.6768984305393736,0.6736344321842231,0.7646837091357686
EOS-2-41163,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)nc1,LVXYUMGTFXHGTI-UHFFFAOYSA-N,2,1,0.54,11,198,412.428,4.009,5,0.419,0.79,1.0,0.7154838599136454,0.762122198615585,0.6104362278116647,0.6364197107806182,0.6811154992803783
EOS-2-41164,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(C)c5)n34)cn2)cn1,PWSBEOZLODYJIQ-UHFFFAOYSA-N,2,1,0.529,13,374,412.428,4.797,5,0.422,0.81,1.0,0.7666798026180522,0.7538465492426838,0.805059625796724,0.7266979644986635,0.763070985539031
EOS-2-41165,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)nc1,DCBNVOOHBMENFL-UHFFFAOYSA-N,2,1,0.582,24,805,412.428,4.275,5,0.429,0.78,1.0,0.8684548694400658,0.7958587485436228,0.7320694263587143,0.6940836817216092,0.7726166815160029
EOS-2-41166,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,KVUOMNGXAJUZLM-UHFFFAOYSA-N,2,1,0.711,11,56,412.428,4.009,5,0.419,0.84,1.0,0.857232197930231,0.9117606743883215,0.6577599204989377,0.6506750736755534,0.7693569666232609
EOS-2-41167,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nc2)cc1,CYKFEYPIILTOFX-UHFFFAOYSA-N,2,1,0.534,11,275,412.428,4.009,5,0.419,0.82,1.0,0.7722397368240697,0.8002792817490234,0.62523130697005,0.6477280515386197,0.7113695942704408
EOS-2-41168,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1ccnnc1,SOSTXONVEBAODB-UHFFFAOYSA-N,2,1,0.767,91,660,412.428,4.009,5,0.419,0.74,1.0,0.9542697553286272,0.9615859091220615,0.7841563292440545,0.7755979713522034,0.8689024912617367
EOS-2-41169,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1,UUUJBZXNQIUXDX-UHFFFAOYSA-N,2,1,0.444,11,198,412.428,4.009,5,0.392,0.81,1.0,0.7064628880816942,0.7216948804057296,0.562410047289425,0.5915889932149956,0.6455392022479611
EOS-2-41170,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,WRRLBCNJMBXMJE-UHFFFAOYSA-N,2,1,0.56,11,201,412.428,4.009,5,0.419,0.78,1.0,0.9237715029812898,0.8938301007470358,0.6577684874237544,0.667860324857789,0.7858076040024673
EOS-2-41171,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnccn5)ccc4F)n23)cc1,ZTJFPUGOYMFFMK-UHFFFAOYSA-N,2,1,0.562,97,230,412.428,4.275,5,0.429,0.79,1.0,0.9463367829483929,0.877989856761017,0.8299122746898773,0.7826742512507711,0.8592282914125146
EOS-2-41172,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)nc1,VMBXHCBMXMNHIR-UHFFFAOYSA-N,2,1,0.58,11,384,412.428,4.009,5,0.419,0.81,1.0,0.7429065862517991,0.8002878486738401,0.7111061613323282,0.7187906928928792,0.7432728222877116
EOS-2-41173,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cccnc5)c4)n23)ccn1,DPGQNURTRMXCGY-UHFFFAOYSA-N,2,1,0.549,97,253,412.428,4.275,5,0.429,0.79,1.0,0.8955006510862861,0.8276934411623603,0.8224247824001096,0.7709975327256527,0.8291541018436023
EOS-2-41174,CCOc1ncc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)cc1F,JGXLCVDURPZQML-UHFFFAOYSA-N,2,1,0.333,96,558,412.428,4.453,5,0.424,0.77,1.0,0.5035895414981838,0.6250171338496333,0.6464001781920362,0.6004043588513467,0.5938528030978
EOS-2-41175,Cc1cccnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)cc3)n12,NDXYLMNQGXVZCM-UHFFFAOYSA-N,2,1,0.541,1,744,412.428,4.275,5,0.401,0.81,1.0,0.8112192447399081,0.7494003152628332,0.7268007675964636,0.6736429991090398,0.7402658316770612
EOS-2-41176,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnc5)nc4)n23)cc1,CZGCYQWDAPGFMV-UHFFFAOYSA-N,2,1,0.707,11,201,412.428,4.009,5,0.419,0.82,1.0,0.9764495236789802,0.9726715098348296,0.7136676718525118,0.704920841614694,0.8419273867452539
EOS-2-41177,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,NPSYWGNOVTWMMS-UHFFFAOYSA-N,2,1,0.59,35,352,412.428,4.009,5,0.392,0.79,1.0,0.8112278116647248,0.819991775752176,0.7681276129120691,0.7402080049345487,0.7848888013158797
EOS-2-41178,Fc1cncc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1,SSHSXBOGGJREHN-UHFFFAOYSA-N,2,1,0.602,35,393,412.428,4.009,5,0.419,0.79,1.0,0.8483911315194298,0.8200003426769926,0.7632958673154684,0.7530498252347337,0.7961842916866562
EOS-2-41179,Cc1cc(COc2cncc3nnc(-c4cc(-c5cccc(F)c5)ccn4)n23)ccn1,SHDWVUONVBUTRJ-UHFFFAOYSA-N,2,1,0.449,97,560,412.428,4.275,5,0.429,0.8,1.0,0.7002004660407101,0.5719193338359263,0.7584726886436844,0.7267065314234802,0.6893247549859502
EOS-2-41180,Cc1ccncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)n4)n23)cc1,GTJMPBOZRRHITH-UHFFFAOYSA-N,2,1,0.529,1,31,412.428,4.275,5,0.401,0.74,1.0,0.8392159550407786,0.7451168528544994,0.7633044342402852,0.7078678637516277,0.7638762764717978
EOS-2-41181,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(F)c5)nc4)n23)cc1,AHQQCSCPOHQSLQ-UHFFFAOYSA-N,2,1,0.573,97,230,412.428,4.275,5,0.429,0.84,1.0,0.9496950174765266,0.7958673154684395,0.7881142485093551,0.732232197930231,0.816477194846138
EOS-2-41182,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1cncnc1,FDVUFKMORPDERO-UHFFFAOYSA-N,2,1,0.767,91,215,412.428,4.009,5,0.419,0.71,1.0,0.9588359262559112,0.9499777259954767,0.781903228017271,0.7685302583784525,0.8648117846617779
EOS-2-41183,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nc2)cc1,YSUPQOLJCCDRKY-UHFFFAOYSA-N,2,1,0.561,11,384,412.428,4.009,5,0.419,0.83,1.0,0.8684634363648824,0.857771914193681,0.6984442464532932,0.7108919882119115,0.783892896305942
EOS-2-41185,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,MNJIFICCDISKRQ-UHFFFAOYSA-N,2,1,0.539,11,275,412.428,4.009,5,0.419,0.81,1.0,0.8550733328764307,0.8695514358165993,0.6013809882804468,0.6157048865739154,0.7354276608868482
EOS-2-41186,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)cc1,IZIOVKAVNNNISU-UHFFFAOYSA-N,2,1,0.588,11,275,412.428,4.009,5,0.419,0.83,1.0,0.8243266397094099,0.9055924885203207,0.6338667671852511,0.6477366184634363,0.7528806284696046
EOS-2-41187,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,LOHBFLNMAMHUBO-UHFFFAOYSA-N,2,1,0.517,11,275,412.428,4.009,5,0.419,0.81,1.0,0.8550818998012474,0.8723271194571997,0.604550750462614,0.627270235076417,0.7398075011993694
EOS-2-41188,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cccnc1,UQDDATQQPXXAFO-UHFFFAOYSA-N,2,1,0.662,35,234,412.428,4.009,5,0.419,0.79,1.0,0.9313018298951409,0.9316016722637243,0.7563480912891508,0.7454166952230827,0.8411670721677746
EOS-2-41189,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2)cn1,HLGRYHLZTVOKPT-UHFFFAOYSA-N,2,1,0.595,35,111,412.428,4.009,5,0.392,0.8,1.0,0.9639246795970119,0.952033787951477,0.7584812555685011,0.7293280104173806,0.8509419333835926
EOS-2-41190,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)nc1,BLNFJTPHPRUZKS-UHFFFAOYSA-N,2,1,0.646,11,275,412.428,4.009,5,0.419,0.8,1.0,0.9519909533273936,0.9250394078541567,0.6370707970666849,0.6272788020012336,0.7853449900623672
EOS-2-41191,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,BNQUBNOCBUEBPN-UHFFFAOYSA-N,2,1,0.598,11,529,412.428,4.009,5,0.419,0.82,1.0,0.8032777054348571,0.8083150572270578,0.7084589815639778,0.7160921115756288,0.7590359639503804
EOS-2-41192,Fc1ccccc1-c1nnc2cncc(OCCc3cccc(-c4cncnc4)c3)n12,KMMQYOFBKVBMER-UHFFFAOYSA-N,2,1,0.747,91,660,412.428,4.009,5,0.419,0.73,1.0,0.760545884449318,0.8665615790555822,0.7681361798368858,0.7661058186553354,0.7903373654992804
EOS-2-41193,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)nc2)cn1,PJCIPTNYUCQXLT-UHFFFAOYSA-N,2,1,0.592,11,198,412.428,4.009,5,0.392,0.84,1.0,0.8483996984442465,0.7958758823932561,0.6875385511616751,0.679622712631074,0.7528592111575628
EOS-2-41194,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cc2)n1,VFRIDOKMPCIVHC-UHFFFAOYSA-N,2,1,0.56,1,22,412.428,4.275,5,0.429,0.79,1.0,0.8971112329518196,0.745125419779316,0.7541378246864505,0.6940922486464258,0.7726166815160029
EOS-2-41195,Cc1ncccc1COc1cncc2nnc(-c3cc(-c4ccc(F)cc4)ccn3)n12,NNCGRRFCEFUXIE-UHFFFAOYSA-N,2,1,0.488,97,560,412.428,4.275,5,0.429,0.85,1.0,0.7518932903844836,0.6590192584469878,0.7190477006373792,0.6941008155712426,0.7060152662600233
EOS-2-41196,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nc1,NLSBYYGXDKLTCU-UHFFFAOYSA-N,2,1,0.605,11,275,412.428,4.009,5,0.419,0.82,1.0,0.8708536083887328,0.787985744637105,0.6223699540812829,0.6186690425604825,0.7249695874169008
EOS-2-41197,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)nc1,QCADVEOJBJRTTE-UHFFFAOYSA-N,2,1,0.63,11,922,412.428,4.009,5,0.419,0.8,1.0,0.9497035844013433,0.9361935439654582,0.6957370982112261,0.6912137619080255,0.8182119971215133
EOS-2-41198,Fc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)cc1,WLTQSJVDLLBEEK-UHFFFAOYSA-N,2,1,0.704,79,590,412.424,5.302,5,0.379,0.86,1.0,0.9887173600164485,0.9715064080597628,0.9168922623535056,0.9047186621890206,0.9454586731546843
EOS-2-41199,OCc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)cc5)n34)cc2)cc1,AKCRCHIVVCITLK-UHFFFAOYSA-N,2,1,0.622,83,528,412.424,4.882,5,0.445,0.88,1.0,0.9581505722705778,0.9456171612637927,0.9497721197998766,0.9433640600370091,0.949225978342814
EOS-2-41200,Fc1cccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,OPCCASZEYNYWSG-UHFFFAOYSA-N,2,1,0.662,17,590,412.424,5.302,5,0.379,0.82,1.0,0.9768350352957302,0.9467993968884929,0.9112637927489549,0.9012404907134535,0.9340346789116578
EOS-2-41201,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ncn2)cn1,TXRRLRVUIAULCG-UHFFFAOYSA-N,2,1,0.425,65,113,412.417,1.758,5,0.406,0.62,0.675,0.5658625179905421,0.30751833321910765,0.0907751353574121,0.06264992118429169,0.2567014769378384
EOS-2-41202,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ncn2)cn1,XQSGMOSIUMTYQO-UHFFFAOYSA-N,2,1,0.398,31,296,412.417,1.758,5,0.406,0.63,0.928,0.5445908436707559,0.2610513330135015,0.07243334932492633,0.0552480981426907,0.2333309060379686
EOS-2-41203,Cc1nccc(COc2cncc3nnc(-c4cccc(-c5ncc(=N)[nH]n5)c4)n23)n1,IEZXLDYESLWEJB-UHFFFAOYSA-N,2,1,0.505,4,921,412.417,1.733,5,0.444,0.59,1.0,0.44506887807552603,0.29249194709067233,0.1082088273593311,0.059634363648824615,0.22635100404358852
EOS-2-41204,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccn(C)n5)cnn4)n23)cn1,CLTWWCAHGMKLOX-UHFFFAOYSA-N,2,1,0.318,50,974,412.417,1.403,5,0.469,0.7,0.939,0.057184223151257624,0.046381330957439515,0.0702573504214927,0.03511582482352135,0.0522346823384278
EOS-2-41205,N=c1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)c[nH]1,UGHNBDYGJBGSLH-UHFFFAOYSA-N,2,1,0.443,65,658,412.417,1.467,5,0.427,0.7,1.0,0.45472380234391063,0.43646768555959153,0.11941436501953259,0.08061476252484408,0.2728051538619697
EOS-2-41206,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)nn2C)cn1,LGMAOMXVSOCWSW-UHFFFAOYSA-N,2,1,0.524,92,694,412.417,1.771,5,0.428,0.69,0.58,0.20836474539099445,0.03281132204783771,0.23258344184771435,0.15960180933452128,0.15834032965526695
EOS-2-41207,COc1cncc(COc2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)n1,ASKOSADFMIXGOJ-UHFFFAOYSA-N,2,1,0.456,56,815,412.413,2.626,5,0.415,0.73,1.0,0.6170413268453157,0.4670002056061956,0.2834709752587211,0.1839490096634912,0.38786537934343096
EOS-2-41208,OCc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnccn5)n4)n23)cc1,DJKPLUAZBNUKDW-UHFFFAOYSA-N,2,1,0.511,7,731,412.413,2.11,5,0.446,0.75,1.0,0.5768538825303269,0.44494894112809263,0.2719570283051196,0.21814817353162907,0.37797700637379206
EOS-2-41209,COc1ccc(Oc2cncc3nnc(-c4cc(-c5cnnc(C)c5)ccn4)n23)cn1,VQZNRMVZPLSNKO-UHFFFAOYSA-N,2,1,0.33,18,160,412.413,3.148,5,0.429,0.7,1.0,0.38680522239736825,0.1430162428894524,0.3235384826262765,0.19474333493249263,0.26202582071139746
EOS-2-41210,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnnc5)n34)c2)cn1,WWGPSARYUIPHIM-UHFFFAOYSA-N,2,1,0.419,46,160,412.413,2.11,5,0.446,0.72,1.0,0.3592197244876979,0.18723870879309162,0.3908402439860188,0.307663970940991,0.31124066205194983
EOS-2-41211,COc1cccnc1COc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,DAWQIMTZWBSWKQ-UHFFFAOYSA-N,2,1,0.489,7,540,412.413,2.626,5,0.415,0.68,1.0,0.41522171201425534,0.33672297991912825,0.232592008772531,0.13938386676718525,0.28098014186827497
EOS-2-41212,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)nn4)n23)cc1,NKKTUMVAAPONTA-UHFFFAOYSA-N,2,1,0.506,89,731,412.413,2.11,5,0.446,0.71,1.0,0.5795781646220273,0.45384140908779386,0.2079021314508944,0.19752758549790966,0.3597123226646563
EOS-2-41213,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1,OYOKXHKZYCJYIO-UHFFFAOYSA-N,2,1,0.549,51,943,412.413,2.11,5,0.446,0.73,1.0,0.709435610993078,0.48433966143513124,0.40173737235282025,0.3170019189911589,0.4781286409430471
EOS-2-41214,COc1ncc(-c2cnc(OC)c(-c3cncc4nnc(-c5cccnc5)n34)c2)cn1,QZXCQHXHDNIKNS-UHFFFAOYSA-N,2,1,0.312,82,514,412.413,2.722,5,0.43,0.69,1.0,0.23024467137276403,0.061407717085874856,0.23601877869919813,0.12186450551709958,0.16238391816873415
EOS-2-41215,COc1nncnc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,WNEHDRPVHURESF-UHFFFAOYSA-N,2,1,0.494,72,22,412.413,2.626,5,0.415,0.76,1.0,0.47625248440819684,0.28175759029538755,0.14885888561441984,0.12187307244191625,0.2571855081899801
EOS-2-41216,OCc1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)cc1,SCGBXBHHDREGPH-UHFFFAOYSA-N,2,1,0.5,51,943,412.413,2.11,5,0.446,0.75,1.0,0.6970735384826263,0.4803389075457474,0.3418631348091289,0.2712631073949695,0.447634672058118
EOS-2-41217,COc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnccn5)n34)c2)cn1,HBMBYJWQFYQARO-UHFFFAOYSA-N,2,1,0.416,7,160,412.413,2.626,5,0.415,0.78,1.0,0.3259200877253101,0.20530635323144403,0.2871804537043383,0.17554485641834008,0.24848793776985814
EOS-2-41218,COc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1ccnnc1,YZOTTZZTFRPWAA-UHFFFAOYSA-N,2,1,0.511,72,224,412.413,2.626,5,0.415,0.68,1.0,0.39988691659242,0.30241244602837364,0.387302104036735,0.2740387910355699,0.34091006442327465
EOS-2-41219,COc1cc(-c2nnc3cncc(OCc4ccncn4)n23)ccc1-c1cncnc1,PDFRFZHTAPRSHF-UHFFFAOYSA-N,2,1,0.523,16,83,412.413,2.626,5,0.415,0.68,1.0,0.4524107326434103,0.30242101295319035,0.4345829620999246,0.2890394763895552,0.36961354602152013
EOS-2-41220,COc1ncc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c(OC)n1,BMFKDISCUKRZCR-UHFFFAOYSA-N,2,1,0.351,82,478,412.413,2.722,5,0.43,0.75,1.0,0.2814063463779042,0.07291309711465972,0.19036563635117537,0.10370262490576383,0.16209692618737578
EOS-2-41221,COc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)ccn1,OFOFQSVGCVVJEZ-UHFFFAOYSA-N,2,1,0.393,54,411,412.413,2.626,5,0.415,0.76,1.0,0.5160886848057021,0.30752690014392436,0.2612483722842848,0.17555342334315674,0.31510434514426705
EOS-2-41222,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccncn5)n34)c2)cn1,UMAVRZLLCYDSOW-UHFFFAOYSA-N,2,1,0.419,18,160,412.413,2.11,5,0.446,0.73,1.0,0.3521520115139469,0.26105989993831813,0.33821362483722844,0.2592008772531012,0.30265660338564865
EOS-2-41223,COc1cc(-c2nnc3cncc(OCc4ccncc4)n23)ccc1-c1cnncn1,RIPHQUCXKZDNBB-UHFFFAOYSA-N,2,1,0.477,16,248,412.413,2.626,5,0.415,0.69,1.0,0.5010365979028168,0.22552429579878008,0.45958981563977797,0.3170104859159756,0.3757902988143377
EOS-2-41224,OCc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)cn1,KTLTXZGWOCYTKV-UHFFFAOYSA-N,2,1,0.566,75,420,412.413,2.11,5,0.446,0.77,1.0,0.46134603522719486,0.2354447947364814,0.27196559522993624,0.1922760605852923,0.2902581214447262
EOS-2-41225,COc1nccnc1-c1ccc(-c2nnc3cncc(OCc4ncccn4)n23)cc1,BTLWXFZBOFBCPE-UHFFFAOYSA-N,2,1,0.456,56,19,412.413,2.626,5,0.415,0.73,1.0,0.48354293742718113,0.4043331505722706,0.16142656432047153,0.09530703858542937,0.2861524227263382
EOS-2-41226,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)cn1,IOVKPQDJPOHJIO-UHFFFAOYSA-N,2,1,0.461,7,815,412.413,2.11,5,0.446,0.7,1.0,0.4934805702145158,0.39957850729901995,0.3125214173120417,0.23565896785689808,0.3603098656706189
EOS-2-41227,OCc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)n4)n23)cc1,KBPMHFZEMNQGJN-UHFFFAOYSA-N,2,1,0.5,89,731,412.413,2.11,5,0.446,0.76,1.0,0.5630354328010417,0.4088736207251045,0.2574446576656843,0.21544959221437873,0.36120082585155233
EOS-2-41228,COc1ncc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c(OC)n1,NLFYHOOJNKMMJF-UHFFFAOYSA-N,2,1,0.333,82,478,412.413,2.722,5,0.43,0.77,1.0,0.2896819957508053,0.07645123706394352,0.2398053594681653,0.1393924336920019,0.18633275649372902
EOS-2-41229,COc1cccnc1COc1cncc2nnc(-c3ccc(-c4cccnc4)nn3)n12,UMMQZXJFGRUSES-UHFFFAOYSA-N,2,1,0.44,54,670,412.413,2.626,5,0.415,0.71,1.0,0.3383164279350284,0.22020423548762935,0.18383763964087452,0.12834110067850044,0.2176748509355082
EOS-2-41230,Oc1ccc(Oc2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2)cc1,ZWUJEXORGSDPEA-UHFFFAOYSA-N,2,1,0.53,1,881,412.409,3.658,5,0.45,0.75,1.0,0.5185902268521692,0.4318929477074909,0.5947159207730793,0.49663319854704957,0.5104580734699472
EOS-2-41231,Oc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(O)cc5)n34)cn2)cc1,RWORQUVZAZBTAH-UHFFFAOYSA-N,2,1,0.488,1,22,412.409,3.239,5,0.452,0.59,1.0,0.6366938523747515,0.48034747447056403,0.5357155095606881,0.45373003906517717,0.5266217188677952
EOS-2-41232,CSc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(C)nc6)cc5)n34)cc2)cn1,UHAWNONHHVQPSO-UHFFFAOYSA-N,2,1,0.329,69,645,487.592,6.008,6,0.218,0.78,1.0,0.122472757179083,0.12876087999451716,0.6957456651360427,0.6332156808991845,0.39504874580220684
EOS-2-41233,Cn1c(C#N)ccc1-c1cccc(-c2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1,SGVPAWMDAJQMMR-UHFFFAOYSA-N,2,1,0.385,96,558,412.403,4.614,5,0.434,0.79,1.0,0.4019344116236036,0.5258464121718868,0.9656294976355287,0.9644129943115619,0.7144558289356452
EOS-2-41234,Cn1cnnc1-c1cccc(Oc2cncc3nnc(-c4cc(F)cc(C#N)c4)n23)c1,IFCFPSJVTLXUDI-UHFFFAOYSA-N,2,1,0.5,67,374,412.388,3.39,5,0.445,0.79,1.0,0.5824566513604277,0.5923343156740456,0.6930642176684257,0.6882581728462751,0.6390283393872935
EOS-2-41235,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)cn1,SXYOXNMSJLVFRP-UHFFFAOYSA-N,2,1,0.545,16,214,412.388,3.166,5,0.471,0.65,1.0,0.8971197998766363,0.7837279830032212,0.7841648961688712,0.7322407648550476,0.7993133609759441
EOS-2-41236,Cn1nc(-c2nnc3cncc(Oc4ccccc4F)n23)cc1-c1ccc(C#N)nc1,DPWFQRGCJWLKNP-UHFFFAOYSA-N,2,1,0.385,95,956,412.388,3.39,5,0.445,0.65,0.997,0.3406980330340621,0.42724967445685696,0.6194657665684326,0.6096480707285313,0.4992653861969708
EOS-2-41237,Oc1csc(-c2ccc(-c3nnc4cncc(-c5cnn(C(F)F)c5)n34)nc2)n1,XSXRWYFZOHCXGM-UHFFFAOYSA-N,2,1,0.271,50,243,412.385,3.274,5,0.483,0.65,0.851,0.09420190528407922,0.23053594681653075,0.47698923994243025,0.3997498457953533,0.30036923445959834
EOS-2-41238,Fc1cc(-c2nnc3cncc(OCc4cccs4)n23)c(F)cc1-c1nn[nH]n1,YCDDZVWRSCIEFQ-UHFFFAOYSA-N,2,1,0.636,36,6,412.385,2.89,5,0.473,0.66,1.0,0.6309625796724008,0.6736344321842231,0.5119508601192516,0.5437598519635392,0.5900769309848537
EOS-2-41239,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)cc4F)n23)cc1,RVGPXUMDWSRHNM-UHFFFAOYSA-N,2,1,0.543,1,230,412.384,4.036,5,0.429,0.72,1.0,0.9738280446850799,0.9029967103008704,0.9083853060105544,0.8836011925159345,0.9172028133781098
EOS-2-41240,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc6c(c5)OCO6)n34)cc2)nc1,BAWYQBOPXDMKBA-UHFFFAOYSA-N,2,1,0.5,96,856,412.384,3.783,6,0.446,0.86,1.0,0.5213316427935029,0.49862929202933315,0.7395483517236653,0.6882667397710918,0.6119440065793982
EOS-2-41241,Fc1cnc(-c2nnc3cncc(OCc4ncc(-c5cccs5)o4)n23)c(F)c1,YSGREEKJSJUJLW-UHFFFAOYSA-N,2,1,0.483,46,128,412.381,3.76,5,0.434,0.68,1.0,0.6852254814611747,0.6638338701939552,0.41214618600507164,0.45039750531149336,0.5529007607429237
EOS-2-41242,FC(F)Oc1ccc(-c2nnc3cncc(-c4nnc(-c5ccsc5)o4)n23)cc1,FIQGGUZIRREBJK-UHFFFAOYSA-N,2,1,0.507,50,121,412.381,4.171,5,0.428,0.76,1.0,0.6701990953327394,0.6544702213693373,0.6902628332533753,0.6912223288328422,0.6765386196970735
EOS-2-41243,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccccc5F)n34)no2)s1,SFSKUGZCRSPSPA-UHFFFAOYSA-N,2,1,0.512,59,446,412.381,3.76,5,0.434,0.67,1.0,0.6484562401480365,0.7080734699472278,0.3721986155849496,0.459975327256528,0.5471759132341855
EOS-2-41244,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5ccsc5)n4)n23)cc1F,VLJCPZPNEDEKQC-UHFFFAOYSA-N,2,1,0.531,73,756,412.381,3.76,5,0.434,0.76,1.0,0.8243352066342265,0.7217034473305463,0.5222140360496196,0.5696233979850592,0.6594690219998629
EOS-2-41245,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)no1,VZRYCVCRUBUQTE-UHFFFAOYSA-N,2,1,0.278,98,890,412.377,1.422,6,0.449,0.63,1.0,0.10896271674319787,0.09621513261599617,0.03793434308820506,0.04589301624288945,0.07225130217257214
EOS-2-41246,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)ncn1,YPEWSIDAZWPXNO-UHFFFAOYSA-N,2,1,0.439,87,579,412.373,1.519,5,0.398,0.68,1.0,0.6140429031594818,0.5165170310465356,0.11346035227194846,0.09727743129326297,0.33532442944280716
EOS-2-41247,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)co1,YPOZMDRRSQHSKW-UHFFFAOYSA-N,2,1,0.289,98,866,412.373,2.292,6,0.424,0.67,1.0,0.09421047220889589,0.07292166403947639,0.08112877801384415,0.09728599821807964,0.08638672812007402
EOS-2-41248,N#Cc1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(F)cc5F)n4)n23)cc1,LGIQCEDACZZOMT-UHFFFAOYSA-N,2,1,0.459,22,316,412.363,3.46,5,0.447,0.76,1.0,0.41523027893907205,0.6688026865876225,0.8348296895346446,0.8793519978068672,0.6995536632170516
EOS-2-41249,Fc1cc(F)c(F)c(-c2nnc3cncc(-c4ccc(-c5nnsn5)nc4)n23)c1,FMPKDUOVIOVCIA-UHFFFAOYSA-N,2,1,0.342,22,844,412.36,3.184,5,0.42,0.7,0.999,0.2707919265300528,0.4228205743266397,0.654710095264204,0.7454252621478994,0.523436964567199
EOS-2-41250,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)nn1Br,UNRNNICDFCBIFE-UHFFFAOYSA-N,2,1,0.478,87,779,487.705,3.471,5,0.358,0.66,1.0,0.5213402097183195,0.7031560551024604,0.2540949900623672,0.3045284764580906,0.4457799328353094
EOS-2-41251,Cn1nc(-c2cnco2)nc1COc1cncc2nnc(-c3ccc(Cl)c(Br)c3)n12,IHLACQGJBWKEAG-UHFFFAOYSA-N,2,1,0.538,73,391,487.705,3.57,5,0.37,0.71,1.0,0.6281611952573504,0.7580357754780344,0.17426838462065658,0.2772256870673703,0.45942276060585285
EOS-2-41252,Cn1nc(-c2cccc(Cl)n2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,SKRXQLCYCNKZEQ-UHFFFAOYSA-N,2,1,0.5,34,446,487.738,4.521,5,0.336,0.67,0.999,0.5111969707353848,0.7709632650263861,0.3645997532725653,0.6065297100952642,0.5633224247824001
EOS-2-41253,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ccc(Cl)c(Cl)c1,VSXUFSLMIFIJOJ-UHFFFAOYSA-N,2,1,0.432,95,998,487.738,4.521,5,0.359,0.68,0.998,0.42216948804057297,0.4538499760126105,0.594724487697896,0.7349821807963813,0.5514315331368652
EOS-2-41254,OCc1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1,XKCULGMOPXENHH-UHFFFAOYSA-N,2,1,0.597,90,708,412.247,3.02,4,0.543,0.86,1.0,0.7547032417243507,0.6931498869165924,0.6875471180864917,0.6244088821876499,0.6899522822287711
EOS-2-41255,Cn1cc(-c2cn(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nn2)cn1,OXXSRMHILWLHPI-UHFFFAOYSA-N,2,1,0.529,22,649,412.244,3.079,5,0.452,0.82,1.0,0.012679048728668357,0.2610684668631348,0.4941402234253992,0.647745185388253,0.3539082311013638
EOS-2-41256,Clc1cc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)ccc1-c1ccsc1,ALQSUWPYLBYNMM-UHFFFAOYSA-N,2,1,0.558,59,332,487.799,7.059,5,0.266,0.73,1.0,0.9183572064971558,0.9056010554451374,0.9737509423617299,0.9895140840243986,0.9468058220821054
EOS-2-41257,Fc1cc(-c2cnc(F)c(F)c2)ncc1-c1nnc2cncc(OCc3ccc(F)c(Cl)n3)n12,MMKHRYWNBHDMRS-UHFFFAOYSA-N,2,1,0.489,73,877,487.804,4.432,5,0.267,0.65,0.914,0.7367212665341649,0.8546792543348639,0.9390291960797752,0.9433726269618258,0.8684505859776575
EOS-2-41258,Fc1cnc(COc2cncc3nnc(-c4c(F)ccc(F)c4F)n23)nc1-c1cccc(Cl)n1,SJYNWWZNBQTYLK-UHFFFAOYSA-N,2,1,0.424,59,877,487.804,4.432,5,0.206,0.57,1.0,0.8293297238023439,0.8985247755465698,0.8586029059008978,0.8946182578301692,0.8702689157699952
EOS-2-41259,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cc5)no4)n23)cc1,SJWIBPHBFDCMNB-UHFFFAOYSA-N,2,1,0.622,1,640,487.825,5.577,5,0.309,0.8,1.0,0.9760383112877802,0.9520423548762936,0.9844167637584813,0.9733054622712631,0.9714507230484546
EOS-2-41260,Cn1nc(-c2ccc(F)c(OC(F)F)c2)cc1Oc1cncc2nnc(-c3ccc(Cl)nc3)n12,JHNLXSWSZKGVIE-UHFFFAOYSA-N,2,1,0.426,13,706,487.829,4.773,5,0.318,0.74,1.0,0.6225241587279831,0.8416832293879789,0.9295970118566239,0.9059265985881708,0.8249327496401893
EOS-2-41261,Cc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)c(C(F)(F)F)c5)n34)o2)nc1,MEVRDMSJKOPLLG-UHFFFAOYSA-N,2,1,0.473,27,51,487.829,4.796,5,0.348,0.76,1.0,0.8769361250085669,0.8962888081694195,0.910201494071688,0.8544479473648139,0.8844685936536221
EOS-2-41262,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)cc1Cl,KWBLCWYXVGQYLG-UHFFFAOYSA-N,2,1,0.815,34,996,487.829,4.345,5,0.337,0.75,1.0,0.3706565691179494,0.8162308957576588,0.9304108697142074,0.9295798780069906,0.7617195531492016
EOS-2-41263,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccccc5Cl)n4)n23)cc1,QQZOUIQWYLRFHT-UHFFFAOYSA-N,2,1,0.559,43,431,487.829,4.503,5,0.348,0.76,1.0,0.5824652182852443,0.8200089096018094,0.9311561921732575,0.9092248646425879,0.8107137961757247
EOS-2-41264,FC(F)(F)Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ccn2)cn1,CQLYEEWZNDRWKQ-UHFFFAOYSA-N,2,1,0.457,27,329,487.833,3.635,5,0.334,0.67,1.0,0.37767288054280035,0.48906860393393187,0.7967154410252896,0.6967651291892263,0.5900555136728121
EOS-2-41265,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(F)(F)F)c(Cl)c4)n23)n1,UWNUOCIRISMELY-UHFFFAOYSA-N,2,1,0.441,36,51,487.833,3.628,5,0.37,0.68,1.0,0.6911623603591255,0.7958844493180728,0.8185268316085258,0.745433829072716,0.76275186758961
EOS-2-41266,Fc1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)cc1-c1cnnn1C(F)F,NZJIRUHFGUVOST-UHFFFAOYSA-N,2,1,0.463,37,125,487.833,3.649,5,0.342,0.65,1.0,0.6337039956137345,0.792269207045439,0.6712870947844561,0.7049294085395107,0.700547426495785
EOS-2-41267,CC(F)(F)n1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1,LIEJKYNJNBCXKP-UHFFFAOYSA-N,2,1,0.506,36,447,487.833,3.781,5,0.333,0.6,1.0,0.666883695428689,0.7263724213556302,0.7773113563155369,0.7024107326434104,0.7182445514358167
EOS-2-41268,FC(F)(F)Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,TXISMEWYDSDDRN-UHFFFAOYSA-N,2,1,0.5,36,51,487.833,3.635,5,0.357,0.71,1.0,0.8507299019943801,0.8858885614419848,0.6605527379891714,0.6648961688712219,0.7655168425741895
EOS-2-41269,Cc1nc(C(F)(F)F)[nH]c1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ncn1,YRQFEKNXPDIBSA-UHFFFAOYSA-N,2,1,0.39,46,395,487.833,3.926,5,0.396,0.53,0.575,0.6911709272839421,0.6162103351380989,0.8091803166335412,0.6882753066959084,0.7012092214378727
EOS-2-41270,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)cc1Cl,JBMFEDAAQJBPHY-UHFFFAOYSA-N,2,1,0.5,36,610,487.833,3.628,5,0.37,0.7,1.0,0.6425279281749023,0.8162394626824755,0.7370639435268316,0.6129377698581318,0.7021922760605852
EOS-2-41271,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4Cl)n23)n(C)n1,LIVMNJZARRUEIG-UHFFFAOYSA-N,2,1,0.489,36,292,487.858,3.85,5,0.34,0.54,0.997,0.54985093550819,0.7357960386539648,0.4632478925364951,0.47539579192653003,0.556072664656295
EOS-2-41272,Fc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)n6)cc5)n34)nn2)c1F,ODJHSLUWQSILGG-UHFFFAOYSA-N,2,1,0.343,3,783,487.861,4.428,6,0.339,0.57,1.0,0.05045918717017339,0.28708621753135494,0.6795284764580906,0.7826828181755877,0.44993917483380164
EOS-2-41273,Fc1cc(F)cc(-c2cnn(-c3ncncc3-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,CBWBVFGATDZRLQ-UHFFFAOYSA-N,2,1,0.366,45,192,487.861,4.428,6,0.362,0.78,1.0,0.10162086217531355,0.4581591391953944,0.7060431087656774,0.8300579124117606,0.5239702556370365
EOS-2-41274,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)c(Cl)c6)n5)n34)cn2)cc1,JOTSSIIHCKGWGX-UHFFFAOYSA-N,2,1,0.329,3,158,487.861,4.428,6,0.362,0.78,1.0,0.07388972654375985,0.384954766636968,0.7035329997943938,0.8319769035706943,0.498588599136454
EOS-2-41275,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nn2)c(F)cc1Cl,JSMWBHGUEGUBIX-UHFFFAOYSA-N,2,1,0.306,3,115,487.861,4.428,6,0.339,0.65,1.0,0.08931875813857858,0.29748646425878966,0.7773199232403536,0.8300664793365773,0.49854790624357476
EOS-2-41276,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)nc5)n34)n2)c(Cl)c1,ZDTLPFGYMHEPBD-UHFFFAOYSA-N,2,1,0.29,10,118,487.861,4.428,6,0.339,0.61,0.677,0.062589952710575,0.2974950311836063,0.6605613049139881,0.7756065382770201,0.4490632067712974
EOS-2-41277,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cn6)nc5)n34)nn2)c1F,UJSLWMIKGCHMCB-UHFFFAOYSA-N,2,1,0.284,10,872,487.861,4.428,6,0.362,0.68,0.98,0.06420053457610855,0.3367315468439449,0.7472071825097663,0.8279247481324103,0.49401600301555754
EOS-2-41278,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)nn2)c1F,LBVLRZMQIRGXGN-UHFFFAOYSA-N,2,1,0.307,3,783,487.861,4.428,6,0.362,0.7,0.995,0.07801041738057707,0.3468148173531629,0.7702436433417861,0.8401154821465286,0.5087960900555137
EOS-2-41279,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)c(F)c1,DGDGMSJGVGOZSE-UHFFFAOYSA-N,2,1,0.276,39,144,487.861,4.428,6,0.362,0.66,0.917,0.037051949832088274,0.19141080117880885,0.6631656500582551,0.8094887259269412,0.42527928174902335
EOS-2-41280,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncon6)n5)n34)c(Cl)c2)no1,NCIDOTDCOTUOSB-UHFFFAOYSA-N,2,1,0.489,80,414,487.867,3.827,6,0.338,0.7,1.0,0.5445994105955726,0.6062555685011308,0.18701596874785828,0.20041463916112673,0.38457139675142216
EOS-2-41281,Cn1cc(-c2nc(-c3ccc(-c4nnc5cncc(OCc6cnc(Cl)cn6)n45)cn3)no2)cn1,NQPPITYQCFCROG-UHFFFAOYSA-N,2,1,0.404,80,816,487.871,2.659,6,0.341,0.65,1.0,0.3285329997943938,0.45816770612021107,0.10557021451579741,0.10568158453841409,0.24948812624220412
EOS-2-41282,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5nnco5)ccc4Cl)n23)cc1,XBMNAVKEVUGNNM-UHFFFAOYSA-N,2,1,0.453,71,415,487.871,2.659,6,0.341,0.63,1.0,0.4709666917963128,0.567310328284559,0.1002501542046467,0.1394010006168186,0.3194820437255843
EOS-2-41283,Cc1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)cc2F)o1,HKNOKAQONYCBAH-UHFFFAOYSA-N,2,1,0.326,10,287,487.886,4.405,6,0.359,0.65,0.978,0.22482180796381332,0.33674011376876156,0.4528476458090604,0.4782657117401138,0.37316881982043726
EOS-2-41284,Fc1ccc2nnc(-c3cc(-c4nnc5cncc(OCCc6ccc(Cl)nc6)n45)ccn3)n2c1,TULJDMGZQJPMDO-UHFFFAOYSA-N,2,1,0.511,75,669,487.886,3.705,6,0.327,0.65,1.0,0.8243437735590432,0.7580443424028511,0.4632564594613118,0.5598228359947913,0.6513668528544994
EOS-2-41285,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c(Cl)c1,DGADRFZJXVMGLN-UHFFFAOYSA-N,2,1,0.424,67,722,487.886,4.562,6,0.379,0.65,1.0,0.6225327256527997,0.7172400795010623,0.6741398807484066,0.6796312795558906,0.6733859913645398
EOS-2-41286,Cn1nc(-c2ccc(F)cc2Cl)cc1Oc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,PVBQDHYOHYQGDO-UHFFFAOYSA-N,2,1,0.419,67,611,487.886,4.562,6,0.379,0.67,1.0,0.5795867315468439,0.7172486464258789,0.6605698718388048,0.6708159139195394,0.6570552909327667
EOS-2-41287,Cc1cc(Cl)cnc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4F)n23)o1,ZJKCPBOBHMHKPN-UHFFFAOYSA-N,2,1,0.314,98,314,487.886,4.405,6,0.359,0.63,0.996,0.3285415667192105,0.45385854293742717,0.3347611541361113,0.41261736686998834,0.3824446576656843
EOS-2-41288,Fc1cc(CCOc2cncc3nnc(-c4cncc5nnc(-c6ccc(Cl)cc6)n45)n23)ccn1,XKVUPEJXWWBVPO-UHFFFAOYSA-N,2,1,0.622,35,626,487.886,3.705,6,0.327,0.67,1.0,0.9067747241450209,0.9649612774998286,0.4841426221643479,0.6332242478240011,0.7472757179082996
EOS-2-41289,Cn1cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2nnc(-c3ncnn3C)cc2F)n1,ZJZRSLFQXZSQQF-UHFFFAOYSA-N,2,1,0.387,98,882,487.89,3.237,6,0.372,0.67,1.0,0.21640908779384552,0.4538671098622438,0.17073881159618942,0.2981204166952231,0.2847838564868755
EOS-2-41290,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cscc4-c4ccc(Cl)cc4)n23)cn1,MAMZRZVOUQVAEI-UHFFFAOYSA-N,2,1,0.57,27,679,487.894,6.166,5,0.297,0.74,1.0,0.9324926324446576,0.9468079638133096,0.9875008566924817,0.9758584058666301,0.9606649647042698
EOS-2-41291,FC(F)(Cc1cc2nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2o1)c1ccccc1,GWEZYBZRTBDAPO-UHFFFAOYSA-N,2,1,0.381,83,298,487.897,6.587,6,0.274,0.76,1.0,0.5086525940648345,0.8002964155986567,0.9818895209375642,0.9826862449455144,0.8183811938866424
EOS-2-41292,Fc1ncc(-c2nncs2)cc1-c1cncc2nnc(-c3nccnc3-c3cccc(Cl)c3)n12,NCSJOQCJZQZTGE-UHFFFAOYSA-N,2,1,0.333,64,972,487.911,4.621,6,0.331,0.65,0.997,0.20546055787814407,0.3367486806935782,0.4345915290247413,0.5883078610102118,0.3912771571516689
EOS-2-41293,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cnc(Cl)cn4)nc3)n12,DWOWDTPFQMFGOZ-UHFFFAOYSA-N,2,1,0.333,42,693,487.911,4.621,6,0.354,0.64,0.998,0.17165547255157287,0.35164656294976354,0.6133061476252485,0.6856024261531081,0.45555265231992326
EOS-2-41294,Fc1cc(Cl)cnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccsc5)nc4)n23)nn1,IDUCSCHQJDDTMG-UHFFFAOYSA-N,2,1,0.312,86,780,487.911,4.621,6,0.354,0.68,0.993,0.29797477897333974,0.4088821876499212,0.4159756013981221,0.5337536837776712,0.4141465629497636
EOS-2-41296,Cn1nc(-c2nnc3cncc(OCCc4nccs4)n23)cc1-c1ccc(Cl)c(C(F)F)c1,LRNRWHXKBVRXHS-UHFFFAOYSA-N,2,1,0.533,95,266,487.923,4.861,5,0.326,0.68,0.961,0.4811013638544308,0.5348588170790213,0.6683829072716058,0.6767356589678569,0.5902696867932287
EOS-2-41297,FCCn1cc(-c2ncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)cn1,WWDFZMXDUGEFAE-UHFFFAOYSA-N,2,1,0.441,87,468,487.923,4.495,5,0.32,0.71,1.0,0.6140514700842985,0.5825166198341444,0.43845521211705846,0.509826262764718,0.5362123912000548
EOS-2-41298,O=c1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)n5)n34)c(Cl)c2)ss1,WGOMGMWLCUCLDD-UHFFFAOYSA-N,2,1,0.484,20,279,487.929,3.541,5,0.335,0.71,1.0,0.6225412925776164,0.6442327462134192,0.19723631005414297,0.294924953738606,0.43973382564594615
EOS-2-41299,Clc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)o2)c1,FTYKKKSYHIDSJU-UHFFFAOYSA-N,2,1,0.547,41,592,487.932,5.197,6,0.316,0.67,1.0,0.6574600781303543,0.7358046055787815,0.5191128092659859,0.5200980056199027,0.6081188746487561
EOS-2-41300,Clc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCc3ccc(-c4ccsc4)cn3)n12,WIMNJICGNHXDGN-UHFFFAOYSA-N,2,1,0.535,40,25,487.932,5.197,6,0.316,0.63,1.0,0.554802618052224,0.6162189020629155,0.6308340758001508,0.6391182920978685,0.6102434720032897
EOS-2-41301,COc1ncc(-c2ncco2)c(Cl)c1-c1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,XAALERHSASUCMA-UHFFFAOYSA-N,2,1,0.357,32,484,487.932,5.294,6,0.323,0.63,1.0,0.49348913713933246,0.4843482283599479,0.4236686998834898,0.412625933794805,0.4535329997943938
EOS-2-41302,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(-c6ccsc6)nn5)nn4)n23)cc1,WYFJVUABBBIRDQ-UHFFFAOYSA-N,2,1,0.523,71,534,487.936,4.123,6,0.345,0.65,0.991,0.4450774450003427,0.6348348296895346,0.3162822973065588,0.4092762661914879,0.451367709546981
EOS-2-41303,COc1cc(-c2nnc3cncc(-c4nnn(-c5nc(-c6ccccc6)cs5)n4)n23)ccc1Cl,XBEUHCDZZUDCSW-UHFFFAOYSA-N,2,1,0.336,3,158,487.936,4.22,6,0.355,0.68,1.0,0.15295387567678706,0.38054280035638405,0.1457576588307861,0.2472328832842163,0.23162180453704337
EOS-2-41304,Clc1ccc(-n2nc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)s2)cc1,IBCNJLDOMVQOIY-UHFFFAOYSA-N,2,1,0.433,6,596,487.936,4.123,6,0.345,0.62,1.0,0.28969056267562193,0.3565382770200809,0.21145740524981152,0.29200363237612226,0.28742246933040916
EOS-2-41305,Clc1cnc(-c2csc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)nc1,FHFCERKMUXORKH-UHFFFAOYSA-N,2,1,0.473,40,763,487.936,4.327,6,0.368,0.62,1.0,0.582473785210061,0.6884209444177918,0.23981392639298196,0.29493352066342265,0.45141054417106435
EOS-2-41306,Clc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccsc6)nn5)n34)cc2)n[nH]1,HWVRJPBVDJGMQC-UHFFFAOYSA-N,2,1,0.435,56,428,487.936,4.327,6,0.368,0.68,1.0,0.6281697621821671,0.6638424371187719,0.33476972106092795,0.40279110410527036,0.5073932561167843
EOS-2-41307,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cs2)nn1,QEBHVWUBCGPEQU-UHFFFAOYSA-N,2,1,0.449,81,763,487.936,4.327,6,0.368,0.66,1.0,0.6140600370091152,0.654478788294154,0.2834795421835378,0.32939825920087723,0.4703541566719211
EOS-2-41308,Clc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1,MLRXQUQWCPIKRV-UHFFFAOYSA-N,2,1,0.523,40,611,487.936,4.327,6,0.368,0.65,1.0,0.6337125625385511,0.7668682749640189,0.27197416215475295,0.3582773627578644,0.5077080906037968
EOS-2-41309,COc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5Cl)n34)cc2)s1,LQOADEZKWVTSFV-UHFFFAOYSA-N,2,1,0.315,9,7,487.936,4.424,6,0.379,0.64,1.0,0.4429185799465424,0.47579843739291344,0.3382221917620451,0.36187547118086494,0.4047036700705915
EOS-2-41310,Clc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ccc(-n4cncn4)cn3)n12,VJPGYEZAQUSUGW-UHFFFAOYSA-N,2,1,0.505,40,932,487.936,4.123,6,0.345,0.71,1.0,0.3430111027345624,0.4404855732986087,0.42718970598314027,0.4284404770063738,0.40978171475567127
EOS-2-41311,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)c(Cl)c4)n23)cc1F,OEVZSJBFYVOMHE-UHFFFAOYSA-N,2,1,0.338,42,192,487.951,5.775,6,0.315,0.65,1.0,0.28141491330272084,0.4364762524844082,0.8366715783702282,0.8627664313617983,0.6043322938797889
EOS-2-41312,CN(C)C(=O)Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)cc2)cn1,ZAPNWXYUCHXGHL-UHFFFAOYSA-N,2,1,0.57,43,322,487.951,3.975,5,0.345,0.74,1.0,0.47097525872112944,0.5118480570214515,0.3571208279076143,0.3327393598793777,0.41817087588239327
EOS-2-41313,Cn1cc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(-c2cc(Cl)ccc2F)n1,QVKIFIXHHMBTQL-UHFFFAOYSA-N,2,1,0.37,3,192,487.951,5.775,6,0.315,0.66,1.0,0.1637739017202385,0.38496333356178464,0.8012216434788568,0.8457182509766294,0.5489192824343774
EOS-2-41314,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c1-c1ccc(Cl)c(F)c1,OVGZAZWPTGXTJO-UHFFFAOYSA-N,2,1,0.325,3,625,487.951,5.775,6,0.315,0.81,1.0,0.15835103831128777,0.3417945994105956,0.7967240079501062,0.8339901309026112,0.5327149441436503
EOS-2-41315,CN(C)Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)cn1,FWNVFRCYNKYUOT-UHFFFAOYSA-N,2,1,0.46,20,279,487.955,3.375,5,0.325,0.69,1.0,0.4613546021520115,0.4890771708587485,0.22513878418203,0.17297477897333974,0.3371363340415325
EOS-2-41316,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)nc2ccccc21,NQLVVRVABZDIQO-UHFFFAOYSA-N,2,1,0.455,11,848,487.976,5.076,6,0.326,0.78,1.0,0.7094441779178946,0.6981701048591598,0.33823075868686175,0.40581522856555413,0.5379150675073676
EOS-2-41317,CCn1ccnc1-c1cc(-c2nnc3cncc(OCCc4c(Cl)sn(C)c4=O)n23)cs1,XRMJAFJHGWGHEC-UHFFFAOYSA-N,2,1,0.45,65,986,487.998,3.771,5,0.347,0.48,1.0,0.3108680008224248,0.297503598108423,0.021657185936536223,0.04209786854910561,0.1680316633541224
EOS-2-41318,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)s5)n34)s2)nn1,QVESPCKOFDSFHF-UHFFFAOYSA-N,2,1,0.329,76,653,488.001,6.062,6,0.3,0.68,1.0,0.08679151531766158,0.21515831677061203,0.4236772668083065,0.5532691385100404,0.31972405935165515
EOS-2-41319,Cc1nc(-c2cccc(Cl)c2)c(-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)s1,YMNYAGPYRYZMKF-UHFFFAOYSA-N,2,1,0.347,32,20,488.001,6.062,6,0.3,0.71,0.979,0.13642827770543486,0.302429579878007,0.3608217394284148,0.49343773559043247,0.3232793331505723
EOS-2-41320,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)s1,RBSYQZWKKNSZFC-UHFFFAOYSA-N,2,1,0.477,2,875,411.834,3.53,5,0.432,0.75,1.0,0.5134929065862518,0.582525186758961,0.3534199163868138,0.39078884243711876,0.46005671304228635
EOS-2-41321,Clc1cnc(-c2nnco2)cc1COc1cncc2nnc(-c3ccsc3)n12,AKIOVCJWKSEARS-UHFFFAOYSA-N,2,1,0.464,55,875,411.834,3.53,5,0.432,0.68,1.0,0.5470409841683229,0.4843567952847646,0.34563258172846273,0.39662291823726953,0.44341331985470495
EOS-2-41322,N#Cc1cc(-c2nnc3cncc(-c4cnc(-c5cnccn5)nc4)n23)ccc1Cl,JJGJHFMMRDIBIK-UHFFFAOYSA-N,2,1,0.36,86,261,411.816,3.23,5,0.444,0.8,1.0,0.3545164827633473,0.5490285107257898,0.6133147145500651,0.6736515660338565,0.5476278185182646
EOS-2-41323,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4Cl)n23)cc1,ZWKQJITYBRFTJB-UHFFFAOYSA-N,2,1,0.722,23,101,411.799,4.216,4,0.46,0.79,1.0,0.9914587759577822,0.992135563018299,0.9765865944760469,0.9792766088684806,0.9848643855801521
EOS-2-41324,N#Cc1c(F)ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,IOIKWUBPNAUZDD-UHFFFAOYSA-N,2,1,0.743,23,231,411.799,4.216,4,0.491,0.76,1.0,0.9989634020971832,0.9996744568569667,0.972226029744363,0.9754386265506134,0.9865756288122816
EOS-2-41325,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccoc5)on4)n23)c(Cl)c1,HIJBXGHNHCMQDW-UHFFFAOYSA-N,2,1,0.577,4,10,411.78,4.411,5,0.423,0.78,1.0,0.5998989102871634,0.6931584538414091,0.7903073812624221,0.820043177301076,0.7258519806730176
EOS-2-41326,Fc1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)o4)n23)c(F)c1,AJVDFPNHJUKHNT-UHFFFAOYSA-N,2,1,0.386,45,730,411.759,3.835,5,0.416,0.79,0.995,0.35684668631348093,0.6688112535124392,0.7136762387773284,0.8260057569734768,0.6413349838941813
EOS-2-41327,Fc1cccc(-c2nnc3cncc(-c4cncc(-c5nnco5)c4Cl)n23)c1F,UHBBYPXJPNECBA-UHFFFAOYSA-N,2,1,0.347,45,575,411.759,3.835,5,0.445,0.63,1.0,0.34544410938249603,0.4628024124460284,0.8332790761428278,0.8892125282708518,0.6326845315605509
EOS-2-41328,Fc1ccc(Cl)cc1-c1cnc(Oc2cncc3nnc(-c4c(F)cccc4Cl)n23)c(F)c1,FNMQUDVDJPDJOW-UHFFFAOYSA-N,2,1,0.41,45,671,488.256,6.37,5,0.294,0.77,1.0,0.8032862723596738,0.8913799602494689,0.9846395038037146,0.992932287026249,0.9180595058597766
EOS-2-41329,Fc1ccc(Oc2ccc(Cl)cc2-c2cncc3nnc(-c4ncc(Cl)cc4F)n23)cc1F,IGYDKZGGWTZEIE-UHFFFAOYSA-N,2,1,0.337,45,236,488.256,6.37,5,0.294,0.76,1.0,0.5548111849770406,0.7358131725035981,0.9838941813446646,0.9939003495305325,0.8171047220889589
EOS-2-41330,OCc1cc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)cn5)n4)n23)c(Cl)cc1F,GAGDRHCNKWGFLD-UHFFFAOYSA-N,2,1,0.396,73,446,488.266,3.754,5,0.381,0.63,1.0,0.639752244534302,0.6162274689877322,0.6338753341100678,0.7239736824069632,0.6534571825097664
EOS-2-41331,Cn1c(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nnc1-c1ccc(Cl)c(F)c1,ZCCXSHHDIAIQIY-UHFFFAOYSA-N,2,1,0.573,34,391,488.285,4.751,5,0.355,0.73,1.0,0.8032948392844904,0.9158299636762388,0.8069357823315743,0.8973168391474197,0.8558443561099308
EOS-2-41332,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)cc4Cl)n23)cn1,ULRYCUAALCFFRL-UHFFFAOYSA-N,2,1,0.469,27,69,488.285,5.195,5,0.327,0.77,1.0,0.5470495510931396,0.6931670207662257,0.9462339798505929,0.9442121855938592,0.7826656843259544
EOS-2-41333,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5cccc(Cl)n5)o4)n23)cc1,FEKHXZPUDNXBRN-UHFFFAOYSA-N,2,1,0.321,64,176,488.298,4.667,6,0.326,0.69,0.061,0.18597937084504146,0.31265848810910835,0.28718902062915497,0.5034096360770338,0.3223091289150847
EOS-2-41334,Clc1nccc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)n1,ZAOMKSWRJNRYOS-UHFFFAOYSA-N,2,1,0.321,38,693,488.298,4.667,6,0.326,0.68,1.0,0.28142348022753755,0.38497190048660135,0.5947330546227126,0.6621804537043383,0.4808272222602975
EOS-2-41335,Clc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cn5)n34)nn2)o1,LFALNXOZOJHBQY-UHFFFAOYSA-N,2,1,0.378,30,541,488.298,4.667,6,0.349,0.65,0.971,0.1916592419984922,0.3612243848947982,0.40880508532657117,0.5915975601398122,0.38832156808991847
EOS-2-41336,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cn5)n34)nn2)cn1,YUDRACBJYVPWCC-UHFFFAOYSA-N,2,1,0.239,10,37,488.302,3.593,6,0.342,0.6,0.999,0.006211020492084162,0.1092197244876979,0.36083030635323143,0.4904393119045987,0.24167509080940305
EOS-2-41337,Clc1nc(Cl)nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)n1,HKGXGNYRKXOVKK-UHFFFAOYSA-N,2,1,0.304,38,154,488.302,3.797,6,0.393,0.69,1.0,0.23301178808854772,0.3178671783976424,0.3087177026934412,0.3780412583099171,0.3094094818723871
EOS-2-41338,Fc1cnc(-c2cnc(Cl)c(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)nc1,NOHKYMJKNFVNST-UHFFFAOYSA-N,2,1,0.463,87,775,488.335,4.772,5,0.318,0.74,1.0,0.8748543622781166,0.8610102117743814,0.5493197861695566,0.6590106915221712,0.7360487629360564
EOS-2-41339,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2Cl)s1,KXTLSAHQMKMUMK-UHFFFAOYSA-N,2,1,0.517,34,146,488.335,4.747,5,0.372,0.59,1.0,0.7976835035295731,0.7793759851963539,0.8348382564594613,0.8765763141662669,0.8221185148379138
EOS-2-41340,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)ncn2)c1Cl,RWLSUJBWSFWRPD-UHFFFAOYSA-N,2,1,0.412,44,130,488.335,4.772,5,0.34,0.51,0.998,0.6397608114591187,0.6492443972311699,0.5789013775615105,0.7293365773421973,0.6493107908984991
EOS-2-41341,Fc1cc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)ccc1-c1ncncn1,YJZQGQQVJXMCBF-UHFFFAOYSA-N,2,1,0.571,37,626,488.335,4.772,5,0.34,0.68,1.0,0.9588444931807278,0.9404513055993421,0.7242049893770133,0.784970187101638,0.8521177438146804
EOS-2-41342,N#Cc1ccc(Cl)cc1-c1ccnc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,UDPTWDHSPICKJR-UHFFFAOYSA-N,2,1,0.5,11,384,488.338,5.048,5,0.308,0.63,1.0,0.890060653827702,0.8381879240627784,0.8868823247207183,0.9103642656432047,0.8813737920636009
EOS-2-41343,Cn1c(-c2ccc(Cl)c(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,HFPARKAMEGQPFS-UHFFFAOYSA-N,2,1,0.359,3,474,488.338,5.821,6,0.311,0.76,1.0,0.1889006922075252,0.39460112398053593,0.6741484476732232,0.8179956822698924,0.5189114865327942
EOS-2-41344,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)c1-c1ccccc1Cl,PFNATJPJVOWRJJ-UHFFFAOYSA-N,2,1,0.337,3,7,488.342,4.951,6,0.377,0.61,1.0,0.1416112672195189,0.28176615722020426,0.6432989514084024,0.7806353231444041,0.46182792474813245
EOS-2-41345,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)c(Cl)c5)n4)n23)cc1,ZRUSEXLHIRXTOE-UHFFFAOYSA-N,2,1,0.313,3,115,488.342,4.746,6,0.356,0.74,1.0,0.05719279007607429,0.23545336166129807,0.6164844767322322,0.7135563018298952,0.40567173257487493
EOS-2-41346,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3cn(-c4cc(Cl)cc(Cl)c4)nn3)n12,SPXMTANTNZMCIO-UHFFFAOYSA-N,2,1,0.299,10,39,488.342,4.746,6,0.356,0.61,0.813,0.013544308135151806,0.10249468850661367,0.4562744157357275,0.6590192584469878,0.30783316770612024
EOS-2-41347,Brc1ccccc1COc1cncc2nnc(-c3ccc(-c4nnc5n4CCC5)cc3)n12,OLAGEFGZYZOBAM-UHFFFAOYSA-N,2,1,0.517,43,520,488.349,4.338,6,0.366,0.78,1.0,0.5010451648276335,0.4986378589541498,0.04219210472208896,0.20649715578096087,0.3120930710712083
EOS-2-41348,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cc(F)ncc5C(F)(F)F)nc4)n23)c(F)c1,MZEMBACZHNTNBL-UHFFFAOYSA-N,2,1,0.457,13,145,488.351,5.477,5,0.246,0.7,0.999,0.827033787951477,0.9250479747789734,0.9964532931258995,0.9934120348159825,0.9354867726680831
EOS-2-41349,Fc1nc(-c2nnc3cncc(OCCc4cc(OC(F)(F)F)ccn4)n23)ccc1-c1nnco1,OBKGEBMGGKVQBN-UHFFFAOYSA-N,2,1,0.465,58,237,488.361,3.291,5,0.249,0.57,0.902,0.8112363785895415,0.7837365499280379,0.8152114317044754,0.6967736961140429,0.7767395140840245
EOS-2-41350,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nnn(CC(F)(F)F)n5)n34)cc2F)cc1,DSJHTPQVQPPWGW-UHFFFAOYSA-N,2,1,0.494,34,679,488.38,3.864,5,0.335,0.71,1.0,0.594416078404496,0.7621307655404016,0.8461551641422795,0.8579432526900144,0.7651613151942979
EOS-2-41351,Cn1c(-c2cccc(COc3cncc4nnc(-c5cccc(F)c5F)n34)n2)nnc1C(F)(F)F,QDIYSSWMXGTPLY-UHFFFAOYSA-N,2,1,0.467,27,51,488.38,3.858,5,0.347,0.67,0.999,0.5446079775203893,0.7127510108971283,0.8091888835583579,0.734990747721198,0.7003846549242684
EOS-2-41352,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(C(F)(F)F)c5)n34)c(F)c2)nn1,IAFZTBRTVZKOBJ-UHFFFAOYSA-N,2,1,0.462,27,51,488.38,3.858,5,0.347,0.62,1.0,0.557432663970941,0.6638510040435885,0.9661178123500788,0.9265043519978069,0.7784764580906038
EOS-2-41353,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)c(F)c1,OASBARQYLBFNPT-UHFFFAOYSA-N,2,1,0.3,45,118,488.408,4.657,6,0.336,0.64,0.425,0.07801898430539374,0.3468233842779796,0.8795233363032006,0.9169522308272222,0.555329483928449
EOS-2-41354,Cc1nc(-c2cccc(COc3cncc4nnc(-c5cc(-c6ccc(F)c(F)c6)on5)n34)n2)no1,PMWNJXOWZNTHKO-UHFFFAOYSA-N,2,1,0.41,28,414,488.414,4.057,6,0.338,0.6,1.0,0.5470581180179562,0.4758070043177301,0.405352614625454,0.4092848331163046,0.45937564251936125
EOS-2-41355,Cn1nc(-c2ccc(F)cn2)cc1Oc1cncc2nnc(-c3ccc(-c4n[nH]c(=N)o4)c(F)c3)n12,AZFRSKDZZWBJIB-UHFFFAOYSA-N,2,1,0.363,13,622,488.418,3.12,6,0.376,0.62,1.0,0.44292714687135903,0.44495750805290935,0.4196593790692893,0.3682663970940991,0.41895260777191423
EOS-2-41356,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(F)cc5F)no4)n23)cc1,NNJIVFGNXLTUFV-UHFFFAOYSA-N,2,1,0.483,56,893,488.418,2.889,6,0.344,0.73,1.0,0.6058357891851142,0.6544873552189706,0.2360273456240148,0.2949420875882393,0.4478231444040847
EOS-2-41357,FC(F)n1nnc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccc6)o5)n34)cc2)n1,VAELRLAANCIKIH-UHFFFAOYSA-N,2,1,0.489,67,755,488.418,3.469,6,0.329,0.6,1.0,0.5267887739017202,0.48908573778356523,0.17427695154547324,0.17009629223493936,0.3400619388664245
EOS-2-41358,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnc(OC(F)F)o6)cc5)n34)cn2)nn1,DKHPHYYCNORGQV-UHFFFAOYSA-N,2,1,0.327,98,725,488.418,3.3,6,0.344,0.67,0.856,0.38223048454526765,0.40889075457473784,0.4236858337331232,0.3618840381056816,0.3941727777397026
EOS-2-41359,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6OC(F)F)n5)n34)cc2)o1,JBUUUCUGNNDOEX-UHFFFAOYSA-N,2,1,0.371,3,973,488.418,3.394,6,0.343,0.6,1.0,0.37999451716811733,0.4404941402234254,0.2980433143718731,0.30767253786580767,0.3565511274073059
EOS-2-41360,FC(F)n1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)cn1,IYYLGGIBMIUACE-UHFFFAOYSA-N,2,1,0.489,71,117,488.418,3.469,6,0.329,0.65,1.0,0.43579089849907476,0.46281097937084503,0.5119594270440683,0.402799671030087,0.4533402439860188
EOS-2-41361,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(-c6nnco6)n5)n34)c(F)c2)cn1,QNMOUNJSESSDPY-UHFFFAOYSA-N,2,1,0.402,71,428,488.418,2.889,6,0.344,0.63,0.774,0.5316719210472209,0.507658830786101,0.29805188129668975,0.30113597423069016,0.4096296518401754
EOS-2-41362,FC(F)n1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)cc1,KGYWKZYGOIVJNH-UHFFFAOYSA-N,2,1,0.469,81,609,488.418,3.469,6,0.329,0.61,0.996,0.42443115619217325,0.3660818312658488,0.4088136522513878,0.33906175039407854,0.3845970975258721
EOS-2-41363,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(F)cn5)n4)n23)cc1F,CPPHKVHIHVCRJT-UHFFFAOYSA-N,2,1,0.421,73,428,488.418,2.889,6,0.344,0.71,1.0,0.5741981358371598,0.5627527242820917,0.21802823658419573,0.25651086286066754,0.4028724898910287
EOS-2-41364,FC(F)n1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6nccn6)nn5)n34)cn2)c1,QZIIAOUMJVJKRM-UHFFFAOYSA-N,2,1,0.406,71,502,488.422,2.395,6,0.329,0.59,0.833,0.2869834144335549,0.33675724761839493,0.2796158590912206,0.2327547803440477,0.28402782537180454
EOS-2-41365,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c(Cl)c2)cs1,OXMZIJCUXHUSNE-UHFFFAOYSA-N,2,1,0.553,11,684,488.425,6.213,5,0.284,0.67,1.0,0.7865379343430882,0.8723356863820163,0.6984528133781098,0.7583099170721678,0.7789090877938455
EOS-2-41366,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)sc5Cl)n34)c2)cs1,LAZNMVOIEVHGBU-UHFFFAOYSA-N,2,1,0.53,11,684,488.425,6.213,5,0.284,0.79,1.0,0.7865465012679048,0.812204441093825,0.6520457816462203,0.7049379754643273,0.7389336748680694
EOS-2-41367,Fc1ccc(-c2cc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c3cccn3n2)cc1,UWAOHFMXWUPXCM-UHFFFAOYSA-N,2,1,0.646,83,528,488.429,5.639,6,0.302,0.75,1.0,0.8863169076828181,0.9332122541292578,0.9549551093139607,0.9494208758823932,0.9309762867521074
EOS-2-41368,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(OC(F)(F)F)c5)nc4)n23)cc1,FQJQCAXCJKEPHS-UHFFFAOYSA-N,2,1,0.529,1,640,488.429,5.203,5,0.324,0.85,1.0,0.9768436022205469,0.9478531286409431,0.9887259269412652,0.9729370845041464,0.9715899355767253
EOS-2-41369,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5cccc(C(F)(F)F)n5)n34)cc2F)s1,AFBFRYWMKZGSII-UHFFFAOYSA-N,2,1,0.511,27,92,488.43,3.854,5,0.363,0.62,1.0,0.7094527448427113,0.6206394352683161,0.8868908916455349,0.7661143855801521,0.7457743643341787
EOS-2-41370,Fc1cc(-c2cnn(C(F)F)c2)ccc1-c1nnc2cncc(OCc3cc4ccccc4nn3)n12,IWJVHHHFVRLNRR-UHFFFAOYSA-N,2,1,0.434,1,820,488.433,4.711,6,0.335,0.64,0.967,0.547066684942773,0.7172572133506956,0.8542594750188472,0.827933315057227,0.7366291720923857
EOS-2-41371,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nncn5-c5ccc(C(F)(F)F)cn5)n34)cc2)cn1,KBVTWAMWSRYECF-UHFFFAOYSA-N,2,1,0.297,8,882,488.437,3.853,6,0.371,0.75,1.0,0.030541086971420738,0.19141936810362553,0.8717188677952162,0.7965783702282229,0.47256442327462134
EOS-2-41372,COC(=O)COc1ccccc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1,OOOYXMLJARZFLW-UHFFFAOYSA-N,2,1,0.489,79,163,488.45,5.081,5,0.295,0.79,1.0,0.9198050167911727,0.8381964909875951,0.8702967582756493,0.7943681036255226,0.8556665924199849
EOS-2-41373,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)N6CC(F)(F)C6)cc5)n34)cn2)cn1,QCMMDFCJZVBSKO-UHFFFAOYSA-N,2,1,0.462,52,310,488.458,3.47,6,0.373,0.72,1.0,0.45004626139401,0.47581557124254675,0.33477828798574466,0.3360890274826948,0.3991822870262491
EOS-2-41374,N#Cc1ccccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5F)cn4)n23)cn1,CFXYNASMZHOPEN-UHFFFAOYSA-N,2,1,0.33,32,20,488.461,5.127,6,0.339,0.69,1.0,0.34545267630731274,0.5393735864574053,0.8986190117195532,0.9148961688712219,0.6745853608388733
EOS-2-41375,Cn1nnc2cc(CCOc3cncc4nnc(-c5ccc(-c6cn(C(F)F)nn6)cc5)n34)ccc21,CILFCQHBJUPZTE-UHFFFAOYSA-N,2,1,0.527,15,475,488.462,3.348,6,0.336,0.67,1.0,0.642536495099719,0.6785175793297238,0.4667945994105956,0.39975841272017,0.546901771640052
EOS-2-41376,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5csnn5)c(F)c4)n23)n1,AVLLSSKTAQVWLT-UHFFFAOYSA-N,2,1,0.429,71,614,488.472,2.008,6,0.339,0.62,1.0,0.3454612432321294,0.4405027071482421,0.058075183332191076,0.08568638201631143,0.2324313789322185
EOS-2-41377,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nnc(C)o6)cc5)n34)c3nccn3n2)nn1,RZUBEBPYTRVSMP-UHFFFAOYSA-N,2,1,0.292,98,424,488.475,3.02,7,0.359,0.51,1.0,0.20001199369474335,0.12171886779521623,0.04371701733945583,0.051213076554040164,0.10416523884586389
EOS-2-41378,FC(F)Oc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,IPLBTFVDNKTTPE-UHFFFAOYSA-N,2,1,0.356,69,152,488.479,5.838,6,0.291,0.64,1.0,0.3729439380439997,0.4890943047083819,0.8868994585703516,0.8612586525940649,0.6525490884791996
EOS-2-41379,Cn1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6C#N)cc5F)n34)cc2)n[nH]c1=O,WUTSRYKHNUNPIP-UHFFFAOYSA-N,2,1,0.337,93,107,488.486,4.225,6,0.397,0.69,1.0,0.4083767390857378,0.444966074977726,0.7541463916112672,0.7919436639024056,0.5998582173942841
EOS-2-41380,COc1nn(-c2ncccc2C#N)cc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cc3)n12,XBMUVGHQAVXCOL-UHFFFAOYSA-N,2,1,0.357,69,550,488.486,4.725,6,0.345,0.66,0.999,0.27564080597628676,0.4937632787334658,0.6957542320608594,0.6995579466794599,0.541179065862518
EOS-2-41381,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncccc6C#N)nc5C)n34)c(F)c2)cn1,LNWUOWCRFSIGJT-UHFFFAOYSA-N,2,1,0.304,42,151,488.49,4.124,6,0.363,0.53,0.998,0.01771640052086903,0.2053149201562607,0.470289904735796,0.4537386059899938,0.28676495785072986
EOS-2-41382,COc1nc(-c2nnc3cncc(OCc4sncc4-n4cccn4)n23)ccc1-c1nc(C)no1,MVBVKRWNFKTCBA-UHFFFAOYSA-N,2,1,0.363,7,62,488.493,2.775,6,0.327,0.58,1.0,0.20270200808717703,0.10250325543143034,0.019918100198752654,0.00907237338085121,0.08354893427455282
EOS-2-41383,c1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(-c6ncccn6)nc5)n34)cn2)cc1,ZSZRVZYPNPMPLN-UHFFFAOYSA-N,2,1,0.517,28,942,488.511,4.452,6,0.306,0.73,1.0,0.5768624494551435,0.4581762730450278,0.36460832019738193,0.3011445411555068,0.42519789596326507
EOS-2-41384,c1ccc(Oc2ccc(-c3nnc4cncc(OCCc5cnc(-c6cccnc6)cn5)n34)cc2)nc1,PKRHZYXIGJEYMZ-UHFFFAOYSA-N,2,1,0.521,41,25,488.511,4.452,6,0.306,0.73,1.0,0.622549859502433,0.5533205400589405,0.4088222191762045,0.3422315125762456,0.4817310328284559
EOS-2-41385,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5ccccc5)n34)cn2)cn1,ZOKNCBRIGUCOHE-UHFFFAOYSA-N,2,1,0.426,28,363,488.511,4.293,6,0.325,0.71,1.0,0.5524210129531903,0.35654684394489755,0.3945925570557193,0.294950654513056,0.3996277671167158
EOS-2-41386,COc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cn1,CKULEFQTLHLBHA-UHFFFAOYSA-N,2,1,0.436,77,323,488.511,4.293,6,0.325,0.69,1.0,0.552429579878007,0.384980467411418,0.5119679939688849,0.38403810568158453,0.4583540367349736
EOS-2-41387,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)nn2)cc1,FCTSVLIYYLVFKE-UHFFFAOYSA-N,2,1,0.442,28,177,488.511,4.452,6,0.306,0.72,1.0,0.5035981084230005,0.3317798642999109,0.3418717017339456,0.32615139469536014,0.37585026728805426
EOS-2-41388,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5ccccc5)n4)n23)ccc1-c1cncnc1,NIKAIVLTSVIXIS-UHFFFAOYSA-N,2,1,0.505,41,857,488.511,4.293,6,0.325,0.62,1.0,0.49851792200671646,0.30243814680282366,0.49772119799876635,0.38727640326228496,0.4214884175176479
EOS-2-41389,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nc5)n34)nc2)cn1,NMVCWRVZHLLANO-UHFFFAOYSA-N,2,1,0.44,28,280,488.511,4.293,6,0.325,0.79,1.0,0.5498595024330066,0.2817747241450209,0.5391765471866219,0.39663148516208624,0.4418605647316839
EOS-2-41390,COc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c(OC)n1,MHZLKOBJXXKHMC-UHFFFAOYSA-N,2,1,0.303,32,945,488.511,4.39,6,0.337,0.71,1.0,0.3160766911109588,0.10922829141251457,0.34564114865327944,0.24724145020903296,0.2545468953464464
EOS-2-41391,COc1cc(-c2nnc3cncc(OCc4cncc(-c5ncccn5)c4)n23)ccc1-c1ccccn1,XUTUXIOCQKDLMH-UHFFFAOYSA-N,2,1,0.431,28,78,488.511,4.293,6,0.325,0.62,1.0,0.6170498937701323,0.27672880542800354,0.5012679048728669,0.3746744568569666,0.44243026523199236
EOS-2-41392,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cn5)n34)ccn2)cn1,ZZWPZOQLOZWNED-UHFFFAOYSA-N,2,1,0.505,28,667,488.511,4.718,6,0.315,0.72,1.0,0.4039133712562539,0.3024467137276403,0.49414879035021586,0.3872849701871016,0.39694846138030293
EOS-2-41393,Cn1nc(-c2cccs2)nc1COc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3F)n12,SBVHQKGNGFHWMG-UHFFFAOYSA-N,2,1,0.432,36,610,488.512,3.162,6,0.351,0.68,0.99,0.49596497841134946,0.5923428825988624,0.058083750257007745,0.06939209101500925,0.3039459255705572
EOS-2-41394,CCn1nc(-c2ccc(C#N)cc2)cc1Oc1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,GSNIYHUYCWOMMO-UHFFFAOYSA-N,2,1,0.411,67,789,488.515,4.134,6,0.343,0.7,1.0,0.4910561304913988,0.44497464190254266,0.3382393256116784,0.30453704338290727,0.3947017853471318
EOS-2-41395,Cc1nc(-c2ccc(-c3cnccn3)nc2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,PIBXEIFTCZGQGX-UHFFFAOYSA-N,2,1,0.44,80,277,488.515,3.425,6,0.329,0.69,1.0,0.5713967514221096,0.30245528065245697,0.20791069837571105,0.1622575560276883,0.3110050716194914
EOS-2-41396,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)c2)cc1,HOHXBJJVFKRMOT-UHFFFAOYSA-N,2,1,0.602,17,403,488.522,6.969,6,0.243,0.85,1.0,0.9415307381262422,0.9137139332465218,0.9484442464532932,0.9442207525186759,0.9369774175861832
EOS-2-41397,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)cc2)cc1,GBTKXMMNNMHEDT-UHFFFAOYSA-N,2,1,0.654,17,403,488.522,6.969,6,0.243,0.87,1.0,0.984965046946748,0.9608662874374615,0.9516225755602769,0.9457799328353095,0.960808460694949
EOS-2-41398,Fc1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)cc1,JTQUZCOWSCNTJE-UHFFFAOYSA-N,2,1,0.654,17,403,488.522,6.969,6,0.243,0.87,1.0,0.9791395380714139,0.9532245905009937,0.9509457884997601,0.9465937906928928,0.9574759269412652
EOS-2-41399,Fc1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1,ZZIYBBISBHZLMW-UHFFFAOYSA-N,2,1,0.595,17,403,488.522,6.969,6,0.243,0.77,1.0,0.9849736138715647,0.9542440545541773,0.9437752724282091,0.9401514632307587,0.9557861010211774
EOS-2-41400,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1-c1ccccc1,QMVUJBLSMRKBDW-UHFFFAOYSA-N,2,1,0.61,17,403,488.522,6.969,6,0.243,0.82,1.0,0.9749760126105134,0.9347028990473579,0.944991775752176,0.9393290384483586,0.9484999314646015
EOS-2-41401,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Oc6ccccc6)c5)n34)cc2)cc1,QIBVFDBRFUVNQD-UHFFFAOYSA-N,2,1,0.62,17,403,488.522,6.969,6,0.243,0.87,1.0,0.9876293605647317,0.9672400795010623,0.9484528133781098,0.9442293194434925,0.9618878932218491
EOS-2-41402,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)cc5)n34)c2)nn1,IXSZKVXJZMIMTL-UHFFFAOYSA-N,2,1,0.641,21,808,488.526,5.676,6,0.288,0.8,1.0,0.9406140771708588,0.9076399835515043,0.8204458227674594,0.8162565965321088,0.8712391200054828
EOS-2-41403,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)nc5)n34)c2)nc1,VTXWJKACXUYNFF-UHFFFAOYSA-N,2,1,0.607,12,808,488.526,5.676,6,0.288,0.72,1.0,0.9198135837159893,0.8162480296072921,0.7881228154341717,0.7826913851004044,0.8267189534644643
EOS-2-41404,Cc1ccccc1-c1nc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)ccc1F,YWDRQVBFNQNSQB-UHFFFAOYSA-N,2,1,0.457,12,897,488.526,5.942,6,0.289,0.8,1.0,0.697082105407443,0.7538551161675006,0.7633130011651018,0.7429151531766157,0.7392913439791653
EOS-2-41405,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1-c1ccccc1,IZHUUVNWUWMLDB-UHFFFAOYSA-N,2,1,0.643,12,47,488.526,5.676,6,0.288,0.72,1.0,0.9687821259680625,0.9633678294839284,0.8557415530121307,0.8493077924748133,0.9092998252347337
EOS-2-41406,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(-c6cccnc6)c5)n34)c2)nc1,MMSQORLHLZUWSI-UHFFFAOYSA-N,2,1,0.582,12,427,488.526,5.676,6,0.288,0.77,1.0,0.8748629292029333,0.804622712631074,0.8476886436844631,0.8359947913097114,0.8407922692070455
EOS-2-41407,CCc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(C)nc5-c5ccc(F)cc5)n34)nc2)n1,KFZMYJYKMQGDIP-UHFFFAOYSA-N,2,1,0.297,32,532,488.53,5.382,6,0.321,0.71,0.942,0.3334932492632445,0.4449832088273593,0.46326502638612843,0.4630679871153451,0.42620236789801935
EOS-2-41408,CCn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cn1,XVUJZYUOTBKHNY-UHFFFAOYSA-N,2,1,0.562,18,159,411.469,3.691,5,0.406,0.79,1.0,0.2083733123158111,0.029804331437187307,0.3162908642313755,0.27127167431978616,0.20643504557604
EOS-2-41409,CCc1cc(-c2cccc(-c3nnc4cncc(OCCn5ccnc5)n34)c2)ccn1,LPSNYGQHFGKGHU-UHFFFAOYSA-N,2,1,0.443,15,655,411.469,3.691,5,0.406,0.78,1.0,0.380003084092934,0.16224898910287164,0.37608799945171684,0.29812898362003976,0.30411726406689055
EOS-2-41410,CN(C)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnn(C)c5)cc4)n23)cc1,UBVTTXPFTMWBLJ-UHFFFAOYSA-N,2,1,0.569,1,722,411.469,4.05,5,0.434,0.79,1.0,0.3135751490644918,0.10577582071139743,0.6547186621890206,0.39079740936193547,0.36621676033171136
EOS-2-41411,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nn1C,IXHIIFFMSGPFPX-UHFFFAOYSA-N,2,1,0.597,15,628,411.469,3.517,5,0.425,0.81,1.0,0.40194297854842026,0.23546192858611473,0.36461688712219864,0.27404735796038654,0.3190172880542801
EOS-2-41412,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,XWHNEGKYQREECC-UHFFFAOYSA-N,2,1,0.59,15,545,411.469,3.691,5,0.406,0.79,1.0,0.2979833458981564,0.1584024398601878,0.40536118155027073,0.33274792680419435,0.2986237235282023
EOS-2-41413,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cn1,ZCKIWUDWPODTQW-UHFFFAOYSA-N,2,1,0.618,84,73,411.469,3.691,5,0.406,0.8,1.0,0.24948598451099993,0.09914502090329655,0.3722071825097663,0.3199832088273593,0.26020534918785554
EOS-2-41414,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2)cn1,GADWLUBZPUJNHL-UHFFFAOYSA-N,2,1,0.592,15,519,411.469,3.691,5,0.406,0.78,1.0,0.4405027071482421,0.3516551298745802,0.39084881091083545,0.3170190528407923,0.3750064251936125
EOS-2-41415,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)cn1,FTSCSFBHGDZKMH-UHFFFAOYSA-N,2,1,0.632,84,73,411.469,3.691,5,0.406,0.8,1.0,0.3310945103145775,0.23547049551093138,0.31252998423685835,0.2654890000685354,0.2861459975327256
EOS-2-41416,Cc1cccc(CCOc2cncc3nnc(-c4cccc(-c5cn(C)cn5)c4)n23)n1,PETKEVFNPXBRAQ-UHFFFAOYSA-N,2,1,0.506,15,561,411.469,3.517,5,0.425,0.79,1.0,0.5768710163799603,0.36123295181961484,0.32713659104927695,0.24154444520594887,0.3766962511137002
EOS-2-41417,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ccn2)cn1,AWKLYJXFDYRMIO-UHFFFAOYSA-N,2,1,0.689,15,329,411.469,3.691,5,0.406,0.8,1.0,0.32337571105475976,0.11836063326708245,0.3199832088273593,0.2740559248852032,0.2589438695086012
EOS-2-41418,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)n1,VMIDNKJNMRSBQR-UHFFFAOYSA-N,2,1,0.535,15,889,411.469,3.517,5,0.425,0.71,1.0,0.6197827427866494,0.45818483996984444,0.3271451579740936,0.23566753478171476,0.41019506887807555
EOS-2-41419,Fc1cnc(-c2ncccc2-c2nnc3cncc(OCc4ncc(-c5ccsc5)s4)n23)nc1,XSBTYYGOSSAHCI-UHFFFAOYSA-N,2,1,0.511,80,200,488.533,4.546,6,0.336,0.62,1.0,0.534430470838188,0.6162360359125488,0.18384620656569117,0.2154581591391954,0.3874927181139058
EOS-2-41420,Cn1cccc1-c1cccc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)c1,RCJLWHTVZXFNON-UHFFFAOYSA-N,2,1,0.578,1,230,411.465,3.868,5,0.459,0.78,1.0,0.8059334521280241,0.43648481940922484,0.8381793571379618,0.7505140154890001,0.7077779110410527
EOS-2-41421,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4F)n23)s1,UGMLPOYLKZUMPL-UHFFFAOYSA-N,2,1,0.338,69,484,488.548,6.292,6,0.292,0.74,1.0,0.18039373586457405,0.44051127407305873,0.6957627989856761,0.7731906654787197,0.5224646186005071
EOS-2-41422,Cc1nc(-c2cc(F)ccc2F)c(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)s1,GMFHLTXJDPKBMH-UHFFFAOYSA-N,2,1,0.354,69,192,488.548,6.292,6,0.292,0.69,0.999,0.17730107600575698,0.38498903433623466,0.6930727845932424,0.7710060996504695,0.5065922486464258
EOS-2-41423,N#Cc1ccccc1COc1cncc2nnc(-c3ccc(-c4nncs4)cc3)n12,XNKOPQMVSUQJAL-UHFFFAOYSA-N,2,1,0.538,43,909,411.45,3.76,5,0.434,0.7,1.0,0.7338342128709479,0.7172657802755124,0.6280412583099171,0.5945617161263793,0.6684257418956892
EOS-2-41424,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)cn1,NSAHBSOGYZYSFS-UHFFFAOYSA-N,2,1,0.662,97,91,411.45,3.76,5,0.434,0.68,1.0,0.7094613117675279,0.5673188952093756,0.6875556850113084,0.6215732300733329,0.6464772805153862
EOS-2-41425,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccsc5)n4)n23)cc1,MRNILRNVNWHHGR-UHFFFAOYSA-N,2,1,0.531,89,408,411.45,3.76,5,0.434,0.68,1.0,0.7217805496538963,0.6981786717839764,0.5820797066684943,0.5631639366732918,0.6413007161949147
EOS-2-41426,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Oc6ccccc6)cc5)n34)cc2)cn1,FPWHHFKWEUFSTI-UHFFFAOYSA-N,2,1,0.654,17,960,488.551,5.606,6,0.277,0.79,1.0,0.5795952984716606,0.4228291412514564,0.7702522102666027,0.6882838736207251,0.6152401309026112
EOS-2-41427,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Oc6ccccc6)cc5)n34)cc2)n1,FZAOICNMUAUMIA-UHFFFAOYSA-N,2,1,0.63,17,593,488.551,5.606,6,0.277,0.78,1.0,0.617058460694949,0.4405198409978754,0.7242135563018299,0.6420139126859022,0.6059514426701391
EOS-2-41428,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)nc4)n23)cc1,PCUBCYLSMAKUBN-UHFFFAOYSA-N,2,1,0.585,12,755,488.555,4.753,6,0.305,0.66,1.0,0.6514889315331369,0.37085360838873277,0.34970187101637995,0.33275649372901106,0.4262002261668152
EOS-2-41429,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)n5C)c4)n23)cc1,WMGQJPDJKMFGMH-UHFFFAOYSA-N,2,1,0.494,77,755,488.555,4.845,6,0.331,0.66,1.0,0.44508601192515934,0.20532348708107737,0.3497104379411966,0.2890480433143719,0.32229199506545125
EOS-2-41430,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnc5)cc4)n23)cc1,AWJPSLPMBPMOOU-UHFFFAOYSA-N,2,1,0.58,77,755,488.555,4.753,6,0.305,0.68,1.0,0.6140686039339319,0.4137482009457885,0.45285621273387705,0.41879411966280583,0.47486678431910084
EOS-2-41431,Cc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cc2)n1,PMANCBQFYNCXLH-UHFFFAOYSA-N,2,1,0.667,1,709,411.44,4.88,5,0.412,0.88,1.0,0.9687906928928792,0.9175690494140224,0.8618326365567816,0.8300750462613941,0.8945668562812693
EOS-2-41432,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccc5)n4)n23)cc1,KZMNRVIBSMKBLE-UHFFFAOYSA-N,2,1,0.537,1,58,411.44,4.88,5,0.412,0.81,1.0,0.8769446919333836,0.8516208621753135,0.7747926804194366,0.7583184839969844,0.8154191796312795
EOS-2-41433,Cc1ccc(-c2nnc3cncc(OCc4cccnc4-c4cccc(F)c4)n23)cc1,HCZOBHLOPAYKME-UHFFFAOYSA-N,2,1,0.554,1,709,411.44,4.88,5,0.412,0.82,1.0,0.9513055993420602,0.8804571311082174,0.8332876430676445,0.8140805976286752,0.8697827427866492
EOS-2-41434,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncc(F)c5)c4)n23)cc1,AIHMAUMRYJRMQB-UHFFFAOYSA-N,2,1,0.556,1,230,411.44,4.88,5,0.412,0.78,1.0,0.9620999246110616,0.8516294291001302,0.8938215338222192,0.8739034336234666,0.8953635802892195
EOS-2-41435,Fc1cc(CCOc2cncc3nnc(-c4ccccc4)n23)cnc1-c1ccccc1,BGFZFEGQSBZFQQ-UHFFFAOYSA-N,2,1,0.68,79,650,411.44,4.614,5,0.408,0.79,1.0,0.9677283942156124,0.9117692413131382,0.7060516756904941,0.7322493317798643,0.8294496607497773
EOS-2-41436,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)cn5)c4)n23)cc1,PGOXWUCYBURMAW-UHFFFAOYSA-N,2,1,0.575,1,230,411.44,4.88,5,0.412,0.79,1.0,0.9687992598176959,0.8779984236858337,0.870305325200466,0.8420087725310123,0.889777945308752
EOS-2-41437,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,HDVFELDPNLKIQN-UHFFFAOYSA-N,2,1,0.686,12,650,411.44,4.614,5,0.382,0.79,1.0,0.9784541840860804,0.9641388527174286,0.820454389692276,0.818004249194709,0.8952629189226236
EOS-2-41438,Fc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ccccc1,IMJHQEXXZMSDOM-UHFFFAOYSA-N,2,1,0.693,91,660,411.44,4.614,5,0.408,0.81,1.0,0.9470992392570763,0.9376156534850251,0.8414005208690288,0.8438677952162292,0.8924958022068399
EOS-2-41440,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,PFPDDMFKEXNCBM-UHFFFAOYSA-N,2,1,0.62,12,650,411.44,4.614,5,0.408,0.82,1.0,0.9645072304845452,0.9489154273182099,0.7702607771914194,0.7872575560276883,0.8677352477554656
EOS-2-41441,Fc1cccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)nc4)n23)c1,USDBJMKVAAXQDC-UHFFFAOYSA-N,2,1,0.76,79,824,411.44,4.614,5,0.408,0.83,1.0,0.8846206565691179,0.8885357412103352,0.770269344116236,0.7849787540264547,0.8321011239805359
EOS-2-41442,Cc1cccnc1COc1cncc2nnc(-c3cc(F)cc(-c4ccccc4)c3)n12,MWNZGUQPEHDVSB-UHFFFAOYSA-N,2,1,0.633,1,347,411.44,4.88,5,0.412,0.8,1.0,0.7064714550065109,0.7031646220272771,0.7863494619971215,0.782699952025221,0.7446713727640326
EOS-2-41443,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)c1,GTIWMQZRDCWLEK-UHFFFAOYSA-N,2,1,0.671,12,650,411.44,4.614,5,0.408,0.8,1.0,0.9397488177643754,0.9520509218011103,0.7863580289219382,0.802994996915907,0.8702881913508327
EOS-2-41444,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c1,YPZJWMFEFIQHBW-UHFFFAOYSA-N,2,1,0.711,91,883,411.44,4.614,5,0.408,0.8,1.0,0.9738366116098965,0.9608748543622782,0.8557501199369474,0.8544565142896305,0.9112295250496882
EOS-2-41445,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1,ALWXHVZDZMGZEP-UHFFFAOYSA-N,2,1,0.598,79,198,411.44,4.614,5,0.408,0.83,1.0,0.8293382907271606,0.8382050579124117,0.7841734630936879,0.8072441916249743,0.8147402508395587
EOS-2-41447,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)nc4)n23)cc1F,JTCVOQWTDZLMPE-UHFFFAOYSA-N,2,1,0.58,1,347,411.44,4.88,5,0.412,0.84,1.0,0.937795558906175,0.8003049825234734,0.8618412034815982,0.8300836131862107,0.8575063395243644
EOS-2-41448,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)cc1,SABRKDIPFZLBPW-UHFFFAOYSA-N,2,1,0.697,83,23,411.44,4.614,5,0.408,0.81,1.0,0.962733877047495,0.9672486464258789,0.7967325748749229,0.807252758549791,0.8834919642245219
EOS-2-41449,CCOc1ccccc1-c1nnc2cncc(-c3ccc(-c4cccnc4)cc3F)n12,ZBMJXWCQNWYPMS-UHFFFAOYSA-N,2,1,0.519,96,3,411.44,5.058,5,0.405,0.85,1.0,0.41072407648550474,0.47582413816736346,0.8542680419436639,0.8339986978274279,0.6437037386059901
EOS-2-41450,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nc1,JUJGUWZGAOBGAL-UHFFFAOYSA-N,2,1,0.705,79,824,411.44,4.614,5,0.408,0.81,1.0,0.9479644986635597,0.9005808375025701,0.7923805770680556,0.7919522308272222,0.858219536015352
EOS-2-41451,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)cc5)nc4)n23)cc1,DSXIPCHBBDECSF-UHFFFAOYSA-N,2,1,0.632,1,709,411.44,4.88,5,0.412,0.87,1.0,0.9692533068329793,0.869560002741416,0.8730553080666164,0.8474659036392297,0.8898336303200604
EOS-2-41452,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)nc1,ZXKZRINIFACSQT-UHFFFAOYSA-N,2,1,0.61,1,23,411.44,4.88,5,0.412,0.82,1.0,0.8458895894729628,0.8486310054142965,0.8602820231649647,0.8401240490713453,0.8487316667808924
EOS-2-41454,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cn(C)nn6)cn5)n34)s2)cs1,YDHCOUTYVJWPHR-UHFFFAOYSA-N,2,1,0.347,6,843,488.562,3.449,6,0.347,0.76,0.995,0.16918819820437256,0.11226098279761497,0.03933075183332191,0.02521245973545336,0.0864980981426907
EOS-2-41455,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1C(C)C,MOXQVKKPVDPRIG-UHFFFAOYSA-N,2,1,0.377,93,107,488.57,7.017,6,0.262,0.74,0.998,0.25220169967788364,0.3995870742238366,0.7541549585360839,0.7505225824138168,0.5391165787129053
EOS-2-41456,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccn2)cn1,QWBFWABCINHQCA-UHFFFAOYSA-N,2,1,0.482,75,530,411.429,2.363,5,0.415,0.63,1.0,0.5419779316016723,0.3565554108697142,0.0766739771091769,0.056678774587074224,0.2579715235419094
EOS-2-41457,Cc1cncc(COc2cncc3nnc(-c4ccnc(-c5cncc(C)n5)c4)n23)n1,SBKSLDBFOWOBEK-UHFFFAOYSA-N,2,1,0.453,7,99,411.429,2.629,5,0.43,0.69,1.0,0.3800116510177507,0.20533205400589405,0.12496573230073332,0.08229387978891098,0.19815082927832228
EOS-2-41458,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ccn2)cn1,SWEBSTAXVDFOFB-UHFFFAOYSA-N,2,1,0.524,65,454,411.429,2.363,5,0.415,0.69,1.0,0.6882838736207251,0.44942087588239327,0.18702453567267494,0.1327187992598177,0.36436202110890276
EOS-2-41459,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ncn2)cn1,NMZIPJXEHITJLL-UHFFFAOYSA-N,2,1,0.435,18,296,411.429,2.363,5,0.415,0.67,0.998,0.5446165444452059,0.2101895003769447,0.12497429922554999,0.0972945651428963,0.24426872729764926
EOS-2-41460,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)cn2)cn1,BNONTPBMMHIWKY-UHFFFAOYSA-N,2,1,0.46,7,617,411.429,2.629,5,0.43,0.67,1.0,0.3822390514700843,0.3024638475772737,0.12243848947981632,0.07706805565074361,0.22105236104447948
EOS-2-41461,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ncccc5C)n34)ncn2)cn1,LTRYKVRMTMPPQZ-UHFFFAOYSA-N,2,1,0.413,7,296,411.429,2.629,5,0.43,0.59,0.984,0.31358371598930845,0.14302480981426907,0.11077033787951476,0.07118257830169282,0.1596403604961963
EOS-2-41462,N=c1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)c[nH]1,LFVRJNJUNYHLDH-UHFFFAOYSA-N,2,1,0.538,87,796,411.429,2.072,5,0.437,0.68,1.0,0.5548197519018573,0.49864642587896646,0.19384380782674251,0.13706223014186827,0.3460930539373586
EOS-2-41463,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)n1,PBZMGIRNBHJPBV-UHFFFAOYSA-N,2,1,0.425,65,858,411.429,2.363,5,0.415,0.61,1.0,0.5393307518333219,0.33178843122472756,0.08845349873209513,0.07317867178397643,0.25818783839353027
EOS-2-41464,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)n1,XKOOCSKQXFYUCP-UHFFFAOYSA-N,2,1,0.473,65,658,411.429,2.363,5,0.415,0.63,1.0,0.5884620656569118,0.48436536220958126,0.10282023164964704,0.08062332944966075,0.3140677472414502
EOS-2-41465,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)nn2)cn1,SJWBVNSVCKJDJQ-UHFFFAOYSA-N,2,1,0.432,53,361,411.429,2.363,5,0.415,0.71,0.998,0.6281783291069838,0.38994071688026866,0.14576622575560277,0.12188163936673292,0.32144172777739705
EOS-2-41466,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2)n1,UQODBHYRZREFBQ-UHFFFAOYSA-N,2,1,0.529,20,846,411.429,2.363,5,0.415,0.73,1.0,0.7948906860393393,0.6014580906037968,0.11077890480433143,0.07896991296004387,0.3965243986018779
EOS-2-41467,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5)n34)ncn2)cn1,LSXQTEPMGHUGPX-UHFFFAOYSA-N,2,1,0.407,7,296,411.429,2.629,5,0.43,0.59,0.988,0.4198135837159893,0.15841100678500444,0.17742101295319032,0.11008498389418135,0.21643264683709135
EOS-2-41468,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ccn2)nn1,XRFFIYAHXWDLKV-UHFFFAOYSA-N,2,1,0.512,75,241,411.429,2.363,5,0.415,0.65,0.972,0.5972174628195462,0.3899492838050853,0.14275923514495237,0.11503666643821533,0.31124066205194983
EOS-2-41469,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)n1,OZAHERSDFHHHRU-UHFFFAOYSA-N,2,1,0.455,65,858,411.429,2.363,5,0.415,0.58,1.0,0.6029658693715304,0.3516636967993969,0.19037420327599205,0.1541446782263039,0.3247871119183058
EOS-2-41470,Cc1cc(COc2cncc3nnc(-c4cc(-c5cnc(=N)[nH]c5)ccn4)n23)ccn1,BWJHGWMIKYCIEY-UHFFFAOYSA-N,2,1,0.385,18,160,411.429,2.338,5,0.454,0.7,1.0,0.4382924405455418,0.21019806730176135,0.3271537248989103,0.20650572270577752,0.29553748886299774
EOS-2-41471,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ncn2)cn1,JOYMNNGOBMYSGN-UHFFFAOYSA-N,2,1,0.448,18,113,411.429,2.363,5,0.415,0.65,0.997,0.576879583304777,0.24593927763689946,0.1520115139469536,0.110093550818998,0.271230981426907
EOS-2-41472,Cc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)ncn1,GSRKNSNPQVUCKC-UHFFFAOYSA-N,2,1,0.494,75,324,411.429,2.363,5,0.415,0.61,1.0,0.5185987937769858,0.34683195120279625,0.13350695634295112,0.09730313206771297,0.2740602083476115
EOS-2-41473,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncn5)nc4)n23)cc1,ADFCPXSMQSZXCC-UHFFFAOYSA-N,2,1,0.554,89,805,411.425,2.715,5,0.454,0.72,1.0,0.8112449455143582,0.4183486395723391,0.5728102940168597,0.4567541635254609,0.5647895106572545
EOS-2-41474,Oc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c1,GXDJJQAFLGLTOB-UHFFFAOYSA-N,2,1,0.542,58,56,411.425,2.97,5,0.454,0.64,1.0,0.5856007127681447,0.48035604139538074,0.4121547529298883,0.3486224384894798,0.4566834863957234
EOS-2-41475,N#Cc1cncc(-c2ccc(-c3nnc4cncc(OC5CC6CC5CO6)n34)nc2)c1,PXUQGTKJFFLVCL-UHFFFAOYSA-N,2,1,0.394,63,548,411.425,2.676,6,0.504,0.59,0.98,0.4062778425056542,0.4494294428072099,0.640317661572202,0.6796398464807073,0.5439161983414433
EOS-2-41476,Cc1nn(C)c(-c2ccccc2)c1-c1cncc2nnc(-c3cccc([N+](=O)[O-])c3)n12,ZXWZATKQUNKGFQ-UHFFFAOYSA-N,2,1,0.4,62,124,411.425,4.075,5,0.326,0.72,1.0,0.02580357754780344,0.004043588513467206,0.2114659721746282,0.11956000274141594,0.09021828524432869
EOS-2-41477,c1cncc(CCOc2cncc3nnc(-c4ccc(Oc5cccnc5)nc4)n23)c1,MMZADBJXVJQHCL-UHFFFAOYSA-N,2,1,0.557,35,234,411.425,3.39,5,0.402,0.8,1.0,0.6367024192995683,0.5118566239462683,0.4017459392776369,0.31702761976560895,0.4668331505722706
EOS-2-41478,COc1ccc(-c2nnc3cncc(OCc4nnccc4-c4ccncc4)n23)cc1,NLYQNKHFUSWBQZ-UHFFFAOYSA-N,2,1,0.588,72,996,411.425,3.231,5,0.42,0.71,1.0,0.4357994654238914,0.31787574532245905,0.47364813926392985,0.36501096566376534,0.3980835789185114
EOS-2-41479,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnc5)n4)n23)cc1,BEULPOJILAKZNH-UHFFFAOYSA-N,2,1,0.511,89,731,411.425,2.715,5,0.454,0.79,1.0,0.5470752518675897,0.4183572064971558,0.4877578644369817,0.4188026865876225,0.4679982523473374
EOS-2-41480,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(O)cc5)n34)cn2)cn1,HNYYHYIEPPPHHS-UHFFFAOYSA-N,2,1,0.465,55,282,411.425,3.236,5,0.469,0.76,1.0,0.5884706325817285,0.40434171749708725,0.4769978068672469,0.3582859296826811,0.4570240216571859
EOS-2-41481,COc1ncccc1-c1cncc2nnc(-c3ccc(-c4ccc(=O)n(C)n4)cc3)n12,GLZXYANFRYIMBC-UHFFFAOYSA-N,2,1,0.322,9,697,411.425,2.623,5,0.448,0.72,1.0,0.21118326365567816,0.11226954972243164,0.2684617229799191,0.20042320608594338,0.1980844356109931
EOS-2-41482,COc1cnccc1COc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,DGLWOJLHEKLDCJ-UHFFFAOYSA-N,2,1,0.488,97,355,411.425,3.231,5,0.42,0.69,1.0,0.5796038653964772,0.3612415187444315,0.5257607429237201,0.37141902542663285,0.45950628812281546
EOS-2-41483,COc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1cnccn1,OYRGFLLVWHKNLB-UHFFFAOYSA-N,2,1,0.646,97,248,411.425,3.231,5,0.42,0.74,1.0,0.4221780549653896,0.2559111781235008,0.4455486258652594,0.3108337331231581,0.358617898019327
EOS-2-41484,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,CWLBPSOCNCUJGF-UHFFFAOYSA-N,2,1,0.517,89,731,411.425,2.715,5,0.454,0.79,1.0,0.5768881502295936,0.4319015146323076,0.497729764923583,0.41564149133027206,0.4805402302789391
EOS-2-41485,Cn1nc(-c2cccc(-c3nnc4cncc(OCc5ccncc5)n34)c2)ccc1=O,PJCSHXORMQIVGJ-UHFFFAOYSA-N,2,1,0.488,72,506,411.425,2.526,5,0.438,0.79,1.0,0.37525700774450005,0.18284387636214106,0.35712939483243095,0.3045456103077239,0.304943972311699
EOS-2-41486,O=c1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n[nH]1,SGGCRCQAGKUZDE-UHFFFAOYSA-N,2,1,0.548,11,201,411.425,2.558,5,0.457,0.75,1.0,0.5914176547186621,0.3708621753135494,0.3836183263655678,0.35191213761908025,0.42445257350421484
EOS-2-41487,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cc1,SKTWKSHBARZGHI-UHFFFAOYSA-N,2,1,0.588,89,770,411.425,2.715,5,0.454,0.8,1.0,0.8162908642313755,0.4272582413816736,0.4702984716606127,0.3714275923514495,0.5213187924062779
EOS-2-41488,COc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccccn4)n23)cn1,HYPSBMUOTPLWMH-UHFFFAOYSA-N,2,1,0.602,24,786,411.425,3.231,5,0.42,0.76,0.994,0.3729525049688164,0.307535467068741,0.312538551161675,0.21265677472414501,0.30142082448084434
EOS-2-41489,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5c(-c6cccs6)nc(CF)n5C)n34)c2)s1,QNEGICLMNMUNQK-UHFFFAOYSA-N,2,1,0.252,76,424,488.577,5.217,6,0.331,0.6,1.0,0.07389829346857651,0.12876944691933384,0.05441710643547392,0.09531560551024604,0.08810011308340758
EOS-2-41490,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1,XBOKYYLMDIHWCW-UHFFFAOYSA-N,2,1,0.545,1,603,411.421,3.859,5,0.456,0.8,1.0,0.5393393187581386,0.06911794942087589,0.7009714892742102,0.5468182441230895,0.46406175039407854
EOS-2-41491,CC1COCCN1c1cncc2nnc(-c3ccc(-c4cncn4C(F)F)cc3)n12,YUBMJVHPKWFXPX-UHFFFAOYSA-N,2,1,0.398,78,548,411.416,3.275,5,0.513,0.73,1.0,0.1664382153382222,0.10923685833733124,0.41216331985470495,0.4441179494208759,0.2829890857377836
EOS-2-41492,N#Cc1cccn1-c1ccc(COc2cncc3nnc(-c4ccc(F)cn4)n23)cc1,ZLRKAFXXNLLMLS-UHFFFAOYSA-N,2,1,0.413,44,348,411.4,3.567,5,0.439,0.67,1.0,0.5914262216434789,0.4272668083064903,0.8224333493249263,0.7987629360564732,0.6599723288328422
EOS-2-41493,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)c(F)c1,KCHLMBBLPXMFQI-UHFFFAOYSA-N,2,1,0.517,4,850,411.4,3.567,5,0.439,0.7,1.0,0.6058443561099308,0.6785261462545404,0.8381879240627784,0.809497292851758,0.7330139298197519
EOS-2-41494,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(C#N)cc4)n23)c(F)c1,BGZGIGPZMNDLJL-UHFFFAOYSA-N,2,1,0.488,43,451,411.4,3.995,5,0.444,0.76,1.0,0.6763073127270235,0.7263809882804468,0.8768761565348503,0.8401326159961621,0.7799242683846207
EOS-2-41495,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)cc2)cn1,HXSAVODZOHUZGZ-UHFFFAOYSA-N,2,1,0.519,13,15,411.4,3.995,5,0.444,0.84,1.0,0.6544873552189706,0.6785347131793571,0.8963316427935029,0.857951819614831,0.7718263827016654
EOS-2-41496,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)c(F)c1,SKGIRHORAOTWTB-UHFFFAOYSA-N,2,1,0.524,43,230,411.4,3.567,5,0.439,0.76,1.0,0.6337211294633678,0.6297118086491673,0.8938301007470358,0.8627749982866151,0.7550095092865465
EOS-2-41497,Fc1ccc(-c2nnc3cncc(OCc4ccnn4-c4nccs4)n23)c(F)c1,XENCHXABCMPLBM-UHFFFAOYSA-N,2,1,0.523,34,10,411.397,3.291,5,0.441,0.64,1.0,0.3934702899047358,0.5076673977109177,0.4121718867795216,0.47244020286477967,0.4464374443149887
EOS-2-41498,C#Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ccno5)cc4)n23)ccc1F,QPQUUDUUKHQIHC-UHFFFAOYSA-N,2,1,0.59,1,326,411.396,4.146,5,0.405,0.74,1.0,0.8619354396545816,0.7451339867041327,0.9092676992666713,0.8751970392707834,0.8478835412240423
EOS-2-41499,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)cn2)no1,IXZMPCCBQQMOAS-UHFFFAOYSA-N,2,1,0.573,7,85,411.385,2.39,5,0.423,0.7,0.999,0.5186073607018025,0.4628195462956617,0.2008429854019601,0.15165170310465356,0.3334803988760195
EOS-2-41500,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C#N)c5)n34)c2)no1,HHCNGFRBGWIJDE-UHFFFAOYSA-N,2,1,0.438,2,131,411.385,2.39,5,0.423,0.74,1.0,0.5186159276266191,0.3849976012610513,0.25049688163936673,0.19228462751010897,0.3365987595092865
EOS-2-41501,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)cn2)o1,KWCPJNVYTLIBAH-UHFFFAOYSA-N,2,1,0.566,55,617,411.385,2.39,5,0.423,0.73,0.999,0.5446251113700226,0.44052840792269204,0.21803680350901242,0.16226612295250498,0.34136411143855794
EOS-2-41502,CC#Cc1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)ncn1,ZBJICJWOJYKTMF-UHFFFAOYSA-N,2,1,0.381,31,587,411.385,1.977,5,0.396,0.57,0.789,0.33110307723939414,0.2510194640531835,0.16456205880337194,0.10569015146323076,0.2130936878897951
EOS-2-41503,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nncs5)n34)nc2F)o1,XDUIHMMFIXBGOF-UHFFFAOYSA-N,2,1,0.391,53,237,411.382,2.114,5,0.396,0.53,1.0,0.43580803234870813,0.44053697484750876,0.026857309300253582,0.026994380097320265,0.23254917414844767
EOS-2-41504,N#Cc1cncc(COc2cncc3nnc(-c4ccc(Oc5ccon5)cc4)n23)c1,NDGRUARBSCQFEZ-UHFFFAOYSA-N,2,1,0.512,89,214,411.381,3.417,5,0.413,0.78,1.0,0.6544959221437873,0.48910287163319854,0.6683914741964224,0.5532777054348571,0.5913169933520663
EOS-2-41505,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cc(F)c1F,VQXAXLDLJNNGCJ-UHFFFAOYSA-N,2,1,0.346,96,140,411.375,4.065,5,0.444,0.8,1.0,0.3752655746693167,0.5490370776506065,0.9197022136933726,0.9149047357960387,0.6897274004523336
EOS-2-41506,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c(F)c1F,AUQVAMGSFICUQI-UHFFFAOYSA-N,2,1,0.35,96,558,411.375,4.065,5,0.444,0.76,1.0,0.36367452539236517,0.5627612912069083,0.9549636762387773,0.9520851895003769,0.708371170584607
EOS-2-41507,N#Cc1ccc(-c2nnc3cncc(-c4cnn(C5(C(F)F)COC5)c4)n23)c(F)c1,TUILBSCICVGNAZ-UHFFFAOYSA-N,2,1,0.389,68,861,411.347,2.656,5,0.513,0.54,0.921,0.32855013364402713,0.4843739291343979,0.876884723459667,0.9047272291138373,0.6486340038379823
EOS-2-41508,N#Cc1cccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,LPQKFQIXXAQXSF-UHFFFAOYSA-N,2,1,0.704,48,444,411.343,4.141,4,0.491,0.84,1.0,0.9849821807963813,0.9679597011856624,0.9936347748612158,0.9844424645329313,0.9827547803440477
EOS-2-41509,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)no1,CMVUEPHHBICBIL-UHFFFAOYSA-N,2,1,0.523,36,728,411.332,1.827,5,0.426,0.74,1.0,0.46392467959701184,0.539382153382222,0.16457062572818862,0.24447433349324926,0.35308794805016797
EOS-2-41510,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)no1,QXAMRZRYYNMEKU-UHFFFAOYSA-N,2,1,0.536,36,728,411.332,1.827,5,0.426,0.62,1.0,0.5344390377630046,0.5673274621341923,0.19724487697895962,0.2684103214310191,0.39185542457679395
EOS-2-41511,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4c(F)cccc4F)n23)no1,NMLBPAACKSZXNP-UHFFFAOYSA-N,2,1,0.518,36,728,411.332,1.827,5,0.426,0.69,1.0,0.4333835926255911,0.4803646083201974,0.13669385237475157,0.21546672606401207,0.316477194846138
EOS-2-41512,Fc1c(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)nn5)nc4)n23)ccc(Cl)c1Cl,CAQNOWWXCLNBSH-UHFFFAOYSA-N,2,1,0.418,13,573,488.697,5.535,5,0.307,0.66,0.989,0.77498971969022,0.9213384963333562,0.9159241998492221,0.9473476800767596,0.8899000239873894
EOS-2-41513,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5Cl)n34)cn2)no1,CSRWGDVYCXGKAU-UHFFFAOYSA-N,2,1,0.511,73,772,488.722,5.084,5,0.315,0.7,1.0,0.6608011788088548,0.7709718319512028,0.693081351518059,0.7731992324035364,0.7245133986704132
EOS-2-41514,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4nc(Cl)ccc4Cl)n23)c(Cl)c1,RLOKNKYVHDUAKL-UHFFFAOYSA-N,2,1,0.457,36,728,488.726,3.916,5,0.343,0.75,1.0,0.46393324652182855,0.6981872387087931,0.4562829826605442,0.6477537523130698,0.5665393050510589
EOS-2-41515,Cn1nc(-c2ncc(Cl)cn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,JAAHTOPEDUCTMT-UHFFFAOYSA-N,2,1,0.512,73,446,488.726,3.916,5,0.366,0.62,0.969,0.5112055376602015,0.717274347200329,0.18052223973682407,0.4221352203413063,0.4577843362346652
EOS-2-41516,Cn1nc(-c2cncc(Cl)n2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,FEATUALCGINXRL-UHFFFAOYSA-N,2,1,0.494,73,446,488.726,3.916,5,0.366,0.61,0.976,0.48110993077924746,0.712759577821945,0.23260057569734768,0.46924473990816257,0.4739287060516757
EOS-2-41517,Cc1c(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c(-c2ncc(Cl)cc2F)nn1C,TUPCROMNRNOQCJ-UHFFFAOYSA-N,2,1,0.37,45,844,488.741,5.662,5,0.327,0.64,1.0,0.11973990816256597,0.42283770817627303,0.7447827427866494,0.8904804331437187,0.5444601980673017
EOS-2-41518,OCc1ccc(-c2nnc3cncc(OCc4ccc(Br)cc4)n23)cc1,QOSOBAXNNKVDCU-UHFFFAOYSA-N,2,1,0.739,48,17,411.259,3.625,4,0.543,0.89,1.0,0.9745476663696799,0.8962973750942361,0.8757196216846,0.8420173394558289,0.8971455006510862
EOS-2-41519,COc1ccccc1COc1cncc2nnc(-c3ccc(Br)cc3)n12,HKGLALGIIJFNOM-UHFFFAOYSA-N,2,1,0.69,48,17,411.259,4.141,4,0.494,0.86,1.0,0.9781800424919471,0.9362021108902748,0.7967411417997395,0.7078764306764443,0.8547499314646014
EOS-2-41520,OCc1ccc(-c2nnc3cncc(OCc4ccccc4Br)n23)cc1,HXWSZGFVYLQWAO-UHFFFAOYSA-N,2,1,0.64,48,135,411.259,3.625,4,0.543,0.87,1.0,0.9806901514632308,0.907648550476321,0.8602905900897814,0.8260143238982934,0.8936609039819067
EOS-2-41521,N#Cc1ccc(Cl)c(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,AQGXKTKWNJSVSZ-UHFFFAOYSA-N,2,1,0.556,90,400,411.252,3.986,4,0.494,0.74,1.0,0.8971283668014529,0.8963059420190529,0.8542766088684806,0.9034079226920705,0.8877797100952641
EOS-2-41522,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc(Cl)n2)cc1,NRMOCKJHVVTGAY-UHFFFAOYSA-N,2,1,0.536,34,31,488.787,6.454,5,0.266,0.72,1.0,0.7692584469878693,0.8985333424713865,0.9129771777122884,0.9546038653964772,0.8838432081420053
EOS-2-41523,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)sc2Cl)cc1,GDDIJNGPQBZARV-UHFFFAOYSA-N,2,1,0.6,57,461,488.787,6.454,5,0.284,0.77,1.0,0.8572407648550476,0.9404598725241587,0.834846823384278,0.9295884449318073,0.8905339764238229
EOS-2-41524,Clc1cc(-c2ccc(COc3cncc4nnc(-c5ccccc5Cl)n34)cn2)c(Cl)s1,QGWPFCXABFNNNG-UHFFFAOYSA-N,2,1,0.536,59,89,488.787,6.454,5,0.284,0.8,1.0,0.7692670139126859,0.8516379960249468,0.912985744637105,0.9486926872729765,0.8706458604619286
EOS-2-41525,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccc(C(F)(F)F)nn5)cc4F)n23)ccc1Cl,KIWPJDZYGXGZCB-UHFFFAOYSA-N,2,1,0.382,45,102,488.807,5.866,5,0.297,0.78,1.0,0.5036066753478171,0.8122130080186416,0.9964875608251662,0.9967017339455829,0.8272522445343019
EOS-2-41526,FC(F)(F)Oc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)cc1,ZYKKUMKJEAFJHV-UHFFFAOYSA-N,2,1,0.553,1,431,488.813,4.972,5,0.33,0.76,1.0,0.9463453498732095,0.9715149749845795,0.9484613803029265,0.9284747447056405,0.9486991124665891
EOS-2-41527,FC(F)(F)Oc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,CAJDHDZULCSBLA-UHFFFAOYSA-N,2,1,0.563,43,431,488.813,4.972,5,0.33,0.63,1.0,0.9764580906037968,0.9608834212870948,0.9778116647248304,0.9532331574258104,0.9670965835103831
EOS-2-41528,Cn1nnnc1-c1cc(Cl)cc(Oc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c1,ZWVMVJQIKPDUPY-UHFFFAOYSA-N,2,1,0.625,61,941,488.817,4.326,5,0.36,0.78,1.0,0.794899252964156,0.903005277225687,0.9252792817490234,0.8999982866150367,0.8807955246384758
EOS-2-41529,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)cc1Cl,FQCXOLGVIXXDAQ-UHFFFAOYSA-N,2,1,0.631,34,612,488.817,3.74,5,0.341,0.59,1.0,0.6029744362963471,0.8577804811184977,0.8012302104036735,0.8360033582345281,0.7744971215132616
EOS-2-41530,Cn1nc(-c2ncc(Cl)cn2)nc1COc1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12,IDSPKBHDZDKTNF-UHFFFAOYSA-N,2,1,0.516,51,775,488.821,3.023,5,0.367,0.68,0.96,0.6425450620245357,0.7958930162428894,0.42369440065793984,0.3746830237817833,0.5592038756767871
EOS-2-41531,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3c(F)cccc3Cl)n12,BGKVBLQHNMZCMU-UHFFFAOYSA-N,2,1,0.521,23,627,411.17,5.308,4,0.459,0.77,1.0,0.891816873415119,0.9299653896237406,0.990482146528682,0.9971986155849496,0.9523657562881228
EOS-2-41532,Fc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)ccc1-c1cnn(C(F)(F)F)c1,VXIUGSRXIVKZQJ-UHFFFAOYSA-N,2,1,0.593,43,623,488.832,5.503,5,0.305,0.59,1.0,0.8189808786238092,0.9005894044273868,0.9928209170036324,0.9875865259406483,0.9249944314988691
EOS-2-41533,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4cc(C(F)(F)F)c(Cl)cc4F)n23)cc1,HVWFAAUVKHFKDN-UHFFFAOYSA-N,2,1,0.558,13,145,488.832,5.795,5,0.299,0.79,1.0,0.9067832910698376,0.9285689808786238,0.9924011376876156,0.9839370159687478,0.9529226064012062
EOS-2-41534,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)(F)F)c5)cc4)n23)ccc1Cl,JJQFMAPXWWFLFS-UHFFFAOYSA-N,2,1,0.726,43,96,488.832,5.503,5,0.305,0.72,1.0,0.8729439380439997,0.9316102391885409,0.9939174833801658,0.9882290453018985,0.9466751764786512
EOS-2-41535,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1-c1ccc(Cl)c(F)c1,ASJDPNDWJFEDFM-UHFFFAOYSA-N,2,1,0.477,59,570,488.832,4.981,5,0.258,0.68,0.997,0.5687153039544925,0.6590278253718045,0.9750959495579467,0.9782742786649304,0.7952783393872935
EOS-2-41536,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C(F)F)c5)cc4F)n23)cc1Cl,WAMNENQOTNPBSG-UHFFFAOYSA-N,2,1,0.573,59,623,488.832,5.561,5,0.293,0.68,1.0,0.7865550681927216,0.9137225001713385,0.9895140840243986,0.9882376122267151,0.9195073161537934
EOS-2-41537,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ncc(Cl)cn6)n5)n34)c(F)c2)nc1,VHAWHCLTKJHXSX-UHFFFAOYSA-N,2,1,0.302,10,635,488.849,3.823,6,0.368,0.57,1.0,0.06805565074360907,0.3075440339935577,0.4595983825645946,0.6004129257761633,0.3589027482694812
EOS-2-41538,Fc1cc(F)nc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncc(Cl)cn6)cc5)n34)n2)c1,ZREBKJXZFXWYHE-UHFFFAOYSA-N,2,1,0.333,8,635,488.849,3.823,6,0.344,0.66,1.0,0.06259851963539168,0.24594784456171612,0.48067301761359743,0.585309437324378,0.34363220478377077
EOS-2-41539,Cc1nc(-c2cc(Cl)c(Oc3cncc4nnc(-c5ccc(-c6nnc(C)o6)cc5)n34)nn2)no1,QZUICWGWXUPJEH-UHFFFAOYSA-N,2,1,0.387,67,622,488.855,3.744,6,0.346,0.66,1.0,0.5768967171544103,0.5440425604824892,0.06605955726132548,0.06940065793982592,0.3140998732095127
EOS-2-41540,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)c(Cl)c2)o1,GJRGOOWZZAFCRG-UHFFFAOYSA-N,2,1,0.432,71,117,488.855,3.222,6,0.337,0.61,1.0,0.5112141045850181,0.5825337536837777,0.13670241929956822,0.14902165718593655,0.3448679836885752
EOS-2-41541,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(-c6nnco6)nn5)n34)ccc2Cl)o1,CPVMNRBCLFCCBT-UHFFFAOYSA-N,2,1,0.467,71,226,488.855,3.222,6,0.337,0.56,0.999,0.597226029744363,0.7494088821876499,0.12498286615036666,0.1490302241107532,0.4051620005482832
EOS-2-41542,Cn1nnc(-c2cc(-c3nnc4cncc(OCc5cnc(-c6nnco6)cn5)n34)ccc2Cl)n1,IMYIMPQTYUGLBB-UHFFFAOYSA-N,2,1,0.433,71,614,488.859,2.054,6,0.336,0.55,1.0,0.417397710917689,0.6062641354259475,0.05997704064149133,0.0856949489411281,0.29233345898156393
EOS-2-41543,Cc1ccc(-c2nnc3cncc(Oc4cc(-c5cnn(C)c5)nn4CC(F)(F)F)n23)cc1Cl,VHUABKQLRLTIDW-UHFFFAOYSA-N,2,1,0.409,36,706,488.861,4.705,5,0.356,0.73,1.0,0.445094578849976,0.6393067644438353,0.8809625796724008,0.8072613254746076,0.6931563121102049
EOS-2-41544,Cn1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nn2)nc1Cl,YBHLVOJIRYICHW-UHFFFAOYSA-N,2,1,0.426,71,614,488.863,1.184,6,0.354,0.61,1.0,0.4663405523953122,0.5348673840038379,0.011710986224384894,0.0142382290453019,0.25678928791720923
EOS-2-41545,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4cc(F)c(-c5cnco5)c(Cl)c4)n23)nc1,ZJDAAIDJXJRLCL-UHFFFAOYSA-N,2,1,0.42,41,318,488.87,4.827,6,0.339,0.68,1.0,0.7123140977314784,0.6544959221437873,0.690271400178192,0.6590278253718045,0.6790273113563154
EOS-2-41546,Fc1c(Cl)cccc1-n1ncnc1COc1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,HRKSKHQJPBESJE-UHFFFAOYSA-N,2,1,0.452,40,177,488.87,4.399,6,0.339,0.65,1.0,0.6281868960318004,0.6014666575286135,0.6133232814748818,0.6590363922966213,0.6255033068329793
EOS-2-41547,Cc1nnc(-c2cc(Cl)c(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2F)o1,YQLDDBHXKFKGMK-UHFFFAOYSA-N,2,1,0.318,25,219,488.874,3.8,6,0.364,0.66,1.0,0.16644678226303886,0.38995785072990197,0.30872626961825783,0.4058237954903708,0.31773867452539234
EOS-2-41548,Fc1ccc(-n2ncnc2COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1Cl,KZDRVKOSMVHCKM-UHFFFAOYSA-N,2,1,0.457,47,611,488.874,3.529,6,0.377,0.57,1.0,0.6140771708587486,0.6014752244534302,0.4770063737920636,0.530275512302104,0.5557085703515866
EOS-2-41549,Fc1c(-c2cn[nH]c2)ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nn4)n23)c1Cl,LYFGKYSVXJWBKK-UHFFFAOYSA-N,2,1,0.414,4,820,488.874,3.529,6,0.377,0.61,0.997,0.41073264341032145,0.5030412583099171,0.5459529847166061,0.5791583853060106,0.5097213179357138
EOS-2-41550,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(Cl)c(-c6cncc(F)c6)n5)n34)o2)n1C,GQICOAWGULIONM-UHFFFAOYSA-N,2,1,0.258,99,794,488.874,3.8,6,0.364,0.66,0.723,0.15561818929477075,0.23547906243574807,0.14886745253923653,0.2387430607908985,0.19467694126516344
EOS-2-41551,CCn1cnc(-c2cc(Cl)c(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cn2)n1,RYYNHMPJUUYZGW-UHFFFAOYSA-N,2,1,0.289,98,314,488.874,3.974,6,0.354,0.68,0.997,0.2869919813583716,0.34180316633541225,0.29067575902953874,0.37804982523473374,0.3243801829895141
EOS-2-41552,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)s5)cn4)n23)ccc1C(F)F,DBJBALNLQGJNBR-UHFFFAOYSA-N,2,1,0.56,27,744,488.882,5.619,5,0.309,0.66,1.0,0.7780995133986705,0.8752056061956001,0.9535158659447605,0.9358423000479748,0.8856658213967514
EOS-2-41553,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2F)cnc1F,FVZLIOGMOIYPKP-UHFFFAOYSA-N,2,1,0.418,58,814,488.882,5.002,5,0.313,0.65,0.999,0.9081625659653211,0.8858971283668015,0.8647025563703653,0.8822390514700843,0.8852503255431431
EOS-2-41554,Fc1cc(F)c(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cc1F,PIDZJKPOBWFQBI-UHFFFAOYSA-N,2,1,0.406,37,207,488.882,5.002,5,0.313,0.61,1.0,0.8293468576519772,0.7879943115619217,0.89975841272017,0.9265129189226236,0.8609031252141731
EOS-2-41555,FC(F)(F)c1cc(-c2nnc3cncc(OCc4ccc(-c5cscn5)nc4)n23)ccc1Cl,BESXOCFYBCBJIO-UHFFFAOYSA-N,2,1,0.556,24,805,488.882,5.561,5,0.322,0.69,1.0,0.9357651977246247,0.9456257281886095,0.9815125762456308,0.9607977520389281,0.9559253135494483
EOS-2-41556,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)c(F)n4)n23)cc(F)c1Cl,GBKLFMJERKZNQK-UHFFFAOYSA-N,2,1,0.517,84,442,488.882,5.002,5,0.247,0.61,1.0,0.919822150640806,0.8804656980330341,0.8703138921252828,0.8808597765746008,0.8878653793434309
EOS-2-41557,Fc1cc(-c2nnsc2C(F)F)ccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ISZZSLUCTFEOBJ-UHFFFAOYSA-N,2,1,0.612,43,372,488.882,5.619,5,0.309,0.74,0.997,0.9156671921047221,0.9316188061133576,0.930419436639024,0.9358508669727914,0.9283890754574737
EOS-2-41558,Fc1ccc(Cn2ncc3ccc(Oc4cncc5nnc(-c6ccc(Cl)cc6)n45)cc32)cc1F,GBCPZSYYPBHKDJ-UHFFFAOYSA-N,2,1,0.604,57,480,488.885,5.913,6,0.301,0.73,1.0,0.7547118086491673,0.9316273730381742,0.9491038996641765,0.9626910424234117,0.8995335309437325
EOS-2-41559,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)cc1F,FJBKRKNSJGZYQN-UHFFFAOYSA-N,2,1,0.593,88,732,488.885,5.278,5,0.323,0.78,1.0,0.967274347200329,0.9838770474950311,0.9643101912137619,0.9679597011856624,0.9708553217736962
EOS-2-41560,Fc1ccc(-c2c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc3ccccn23)cc1F,OPYKGNHCSMUHDK-UHFFFAOYSA-N,2,1,0.553,57,461,488.885,5.617,6,0.315,0.74,1.0,0.9367589610033582,0.9489239942430265,0.9008806798711535,0.9375985196353916,0.9310405386882324
EOS-2-41561,Cc1nc(-c2cncc(Cl)c2)cc(-c2nnc3cncc(OCCc4ccccc4[N+](=O)[O-])n23)n1,KRTPVRCJLSLTOX-UHFFFAOYSA-N,2,1,0.49,44,531,488.895,4.135,5,0.244,0.6,1.0,0.6730347474470564,0.2870947844561716,0.24676170241929957,0.16227468987732163,0.3422914810499623
EOS-2-41562,OCc1cc(Cl)ccc1-c1cccc(-c2nnc3cncc(OC4Cc5c(F)cccc5O4)n23)c1,HVLYTHSOPHTZCU-UHFFFAOYSA-N,2,1,0.438,57,23,488.906,5.083,6,0.371,0.41,0.999,0.9367675279281749,0.92505654170379,0.9733397299705298,0.9708981563977794,0.9515154890000685
EOS-2-41563,CC(=O)N(C)Cc1cccc(-c2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)c1,PVNCPRGUNAFAAU-UHFFFAOYSA-N,2,1,0.436,61,331,488.914,4.081,5,0.367,0.71,1.0,0.30309780001370706,0.48037317524501405,0.3646254540470153,0.38729353711191833,0.3838474916044137
EOS-2-41564,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)cc1-c1nnco1,XDKXGYVOOWZSRR-UHFFFAOYSA-N,2,1,0.478,81,117,488.92,4.592,6,0.331,0.61,1.0,0.6170670276197656,0.7404564457542321,0.4307278459324241,0.4692533068329792,0.5643761565348503
EOS-2-41565,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccon6)ns5)n34)cc2)nc1,AEHMHKYHGAQUTF-UHFFFAOYSA-N,2,1,0.506,40,2,488.92,4.592,6,0.331,0.62,1.0,0.7397967925433486,0.6545044890686039,0.31254711808649166,0.3486310054142965,0.5138698512781852
EOS-2-41566,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)o2)cn1,XBSWOOHLTMHZDA-UHFFFAOYSA-N,2,1,0.457,81,120,488.92,4.592,6,0.31,0.73,1.0,0.5241758618326365,0.6981958056336097,0.2980604482215064,0.3327650606538277,0.46329929408539505
EOS-2-41567,COc1cc(-c2cnn(C)c(=O)c2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,QBFXJPGZKCQHCT-UHFFFAOYSA-N,2,1,0.612,91,309,488.935,3.836,5,0.343,0.69,1.0,0.5160972517305188,0.5258549790967034,0.6370793639915016,0.5757915838530601,0.563705794667946
EOS-2-41568,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2OC)cn1,GWKQQJPXJCEKQG-UHFFFAOYSA-N,2,1,0.533,35,103,488.935,4.54,5,0.294,0.7,1.0,0.8316770612021109,0.7709803988760194,0.7111147282571448,0.55013364402714,0.7159764580906038
EOS-2-41569,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccc(CO)nc1,AZHLHYMDFZNHRE-UHFFFAOYSA-N,2,1,0.51,15,103,488.935,4.024,5,0.326,0.62,1.0,0.8366887122198615,0.7451425536289493,0.7346480707285313,0.6244174491124665,0.7352241964224522
EOS-2-41570,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4F)n23)c1,OUTXNMHKEMKTEO-UHFFFAOYSA-N,2,1,0.31,25,219,488.939,5.17,6,0.34,0.73,1.0,0.23862312384346515,0.5076759646357344,0.652054348571037,0.773207799328353,0.5428903090946474
EOS-2-41571,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)c(Cl)c1,JRHGWXJGMYXVCA-UHFFFAOYSA-N,2,1,0.346,3,642,488.939,5.17,6,0.34,0.71,1.0,0.2027105750119937,0.3757453224590501,0.6684000411212391,0.7349993146460146,0.49546381330957445
EOS-2-41572,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)s1,ZMCQJSLIJBWALE-UHFFFAOYSA-N,2,1,0.326,10,664,488.939,5.263,6,0.314,0.66,1.0,0.005697005003084093,0.11836920019189912,0.427198272907957,0.5727845932424097,0.2810122678363375
EOS-2-41573,CCOc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccn1,NISJMHVVNBTKJP-UHFFFAOYSA-N,2,1,0.479,75,454,488.939,4.02,5,0.319,0.71,1.0,0.6113871564663148,0.5490456445754232,0.2871975875539716,0.22996196285381398,0.41939808786238086
EOS-2-41574,Fc1cc(-c2nc[nH]n2)ccc1-c1cc(-c2nnc3cncc(Cc4ccc(Cl)s4)n23)ccn1,OZXUJNKGBVOVNA-UHFFFAOYSA-N,2,1,0.327,14,81,488.939,5.083,6,0.363,0.61,1.0,0.34546981015694606,0.35656397779453086,0.687564251936125,0.7480296072921664,0.5344069117949422
EOS-2-41575,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)s1,QIXCIQPJOTUCCY-UHFFFAOYSA-N,2,1,0.321,3,783,488.939,5.263,6,0.336,0.71,0.994,0.0071962168460009595,0.17009629223493936,0.4528647796586937,0.6391268590226852,0.3173210369405798
EOS-2-41576,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)cc5)n34)c2)cc1,FHNLLNNZFMGRQT-UHFFFAOYSA-N,2,1,0.658,21,47,488.978,7.358,6,0.246,0.85,1.0,0.9211157562881228,0.9390891645534919,0.957242478240011,0.9679682681104791,0.9463539167980262
EOS-2-41577,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)c5)n34)cc2)cc1,NJLLLSYWZQIXDL-UHFFFAOYSA-N,2,1,0.681,21,47,488.978,7.358,6,0.246,0.83,1.0,0.9672829141251457,0.9687564251936125,0.9577993283530943,0.9679768350352957,0.9654538756767871
EOS-2-41578,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(-c6ccccc6)c5)c4)n23)cc1,VVKAPVAVWQMQDS-UHFFFAOYSA-N,2,1,0.685,21,47,488.978,7.358,6,0.246,0.82,1.0,0.9711380302926461,0.984965046946748,0.9555290932766775,0.9679854019601124,0.969904393119046
EOS-2-41579,Cc1nc(Cl)nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)s2)n1,IMHVNMPXCIARDA-UHFFFAOYSA-N,2,1,0.287,76,387,488.989,5.457,6,0.325,0.66,0.998,0.15835960523610446,0.2975121650332397,0.1972534439037763,0.262404907134535,0.22888253032691386
EOS-2-41580,CCOc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1C,HPPDKHLYEZYCOJ-UHFFFAOYSA-N,2,1,0.537,90,636,410.865,3.563,4,0.43,0.74,1.0,0.5714053183469262,0.6162446028373655,0.3456497155780961,0.2592094441779179,0.44812727023507637
EOS-2-41581,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cs2)cn1,PQWIHIXAFDGXBY-UHFFFAOYSA-N,2,1,0.375,22,844,410.865,4.713,5,0.432,0.74,1.0,0.23591597560139813,0.41375676787060517,0.864711123295182,0.8878075526009184,0.6005478548420259
EOS-2-41582,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)s1,CULQTBGFIXGMBH-UHFFFAOYSA-N,2,1,0.379,22,844,410.865,4.713,5,0.432,0.79,1.0,0.3208913028579261,0.4758327050921801,0.7136848057021452,0.791960797752039,0.5755924028510726
EOS-2-41583,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)s2)n[nH]1,OZMCBGFCQHIFMG-UHFFFAOYSA-N,2,1,0.382,22,140,410.865,5.011,5,0.453,0.74,0.746,0.2870005482831883,0.5393907203070386,0.7541635254609006,0.8279418819820438,0.6021241690082928
EOS-2-41584,COc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(OC)c1,YTCGYGMDNPCHRQ-UHFFFAOYSA-N,2,1,0.803,48,396,410.861,4.083,4,0.457,0.83,1.0,0.9778630662737304,0.9849736138715647,0.8224419162497429,0.707884997601261,0.8732908984990748
EOS-2-41585,Cn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)cs2)nn1,ARGAZMJRAIMOOS-UHFFFAOYSA-N,2,1,0.4,92,134,410.85,3.489,5,0.418,0.7,1.0,0.29799191282297305,0.3418117332602289,0.2834881091083545,0.32940682612569394,0.3131746453293126
EOS-2-41586,Clc1cccc(-c2nnc3cncc(OCc4nc(-c5cccs5)no4)n23)c1,GTIZHXTYORHIRZ-UHFFFAOYSA-N,2,1,0.585,4,539,410.846,4.135,5,0.43,0.82,1.0,0.48612158179699816,0.6931755876910424,0.23260914262216434,0.3582944966074978,0.44255020217942564
EOS-2-41587,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)s1,HVHYIOOBNGYFFJ-UHFFFAOYSA-N,2,1,0.531,72,22,410.846,4.135,5,0.43,0.74,1.0,0.7605544513741347,0.7750839558632033,0.5222226029744363,0.5367949420875883,0.6486639880748407
EOS-2-41588,Clc1ccccc1-c1nnc2cncc(OCc3cc(-c4ccsn4)on3)n12,PRKVSDQNDMFAOP-UHFFFAOYSA-N,2,1,0.542,4,850,410.846,4.135,5,0.43,0.71,1.0,0.4886402576930985,0.6162531697621821,0.38362689329038446,0.48140977314783084,0.49248252347337396
EOS-2-41589,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5cccs5)n4)n23)cc1,IHNYHUSFQJVVBQ-UHFFFAOYSA-N,2,1,0.57,24,335,410.846,4.135,5,0.43,0.82,1.0,0.7398053594681653,0.8239496950174765,0.2541035569871839,0.3780583921595504,0.548979250908094
EOS-2-41590,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cocn5)s4)n23)cc1,UKBHIAWNAHHFBG-UHFFFAOYSA-N,2,1,0.588,4,850,410.846,4.135,5,0.43,0.74,1.0,0.7338427797957645,0.8695685696662326,0.3760965663765335,0.46619491467342883,0.6114257076279899
EOS-2-41591,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)s1,DTODWNMQUCREPU-UHFFFAOYSA-N,2,1,0.512,55,390,410.846,4.135,5,0.43,0.74,1.0,0.6029830032211637,0.7217120142553629,0.4977383318483997,0.5098348296895346,0.5830670447536153
EOS-2-41592,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccsc5)o4)n23)cc1,HDDQTVHNOQTVKZ-UHFFFAOYSA-N,2,1,0.584,4,32,410.846,4.135,5,0.43,0.86,1.0,0.7459135768624494,0.872344253306833,0.3347868549105613,0.44412651634569256,0.5992928003563841
EOS-2-41593,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccccc5)n34)no2)s1,ZLMBGFKIGSBDBP-UHFFFAOYSA-N,2,1,0.512,24,700,410.846,4.135,5,0.43,0.81,1.0,0.6941093824960592,0.7031731889520938,0.19726201082859296,0.30455417723254063,0.47477468987732163
EOS-2-41594,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)no4)n23)cc1,YBQJWEHAARPHFN-UHFFFAOYSA-N,2,1,0.64,24,805,410.846,4.135,5,0.43,0.74,1.0,0.8788893838667672,0.8780069906106504,0.45629154958536083,0.5302840792269207,0.6858680008224247
EOS-2-41595,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)on4)n23)cc1,ZEJIHPZCQLBLQE-UHFFFAOYSA-N,2,1,0.588,4,850,410.846,4.135,5,0.43,0.75,1.0,0.7367298334589816,0.827702008087177,0.4563001165101775,0.5232335001028031,0.6359913645397848
EOS-2-41596,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5ccsc5)n4)n23)cc1,RVPYZZWOBJSMDP-UHFFFAOYSA-N,2,1,0.584,16,335,410.846,4.135,5,0.43,0.79,1.0,0.7749982866150367,0.8083236241518744,0.3162994311561922,0.4284490439311905,0.5820175964635734
EOS-2-41597,Clc1cc(COc2cncc3nnc(-c4cccc(-c5ncno5)c4)n23)cs1,AWBXPRSKOFTUND-UHFFFAOYSA-N,2,1,0.494,16,55,410.846,4.135,5,0.43,0.67,1.0,0.6425536289493523,0.5772565279967103,0.5561219244739908,0.5664279350284422,0.5855900041121239
EOS-2-41598,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)nc4)n23)cc1,HTYVZDICFJVADD-UHFFFAOYSA-N,2,1,0.459,96,139,410.828,3.835,5,0.416,0.81,1.0,0.3454783770817627,0.4758412720169968,0.7395569186484819,0.7710146665752862,0.5829728085806319
EOS-2-41599,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1F,MCOFMRWKLIBHKO-UHFFFAOYSA-N,2,1,0.411,22,990,410.775,3.366,5,0.453,0.82,1.0,0.1943235556164759,0.5627698581317251,0.6104447947364814,0.805188129668974,0.5431815845384141
EOS-2-41600,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1F,YJIYGSIVVNUFBC-UHFFFAOYSA-N,2,1,0.423,22,990,410.775,3.366,5,0.453,0.77,1.0,0.1943321225412926,0.5673360290590089,0.6684086080460558,0.8360119251593447,0.5665221712014256
EOS-2-41601,Fc1ccc(F)c(-n2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,IHCHRHKGSXGRRJ-UHFFFAOYSA-N,2,1,0.423,22,990,410.775,3.366,5,0.453,0.79,0.977,0.1916678089233089,0.5825423206085943,0.6045593173874306,0.8095058597765746,0.5470688266739772
EOS-2-41602,Fc1cc(-c2nnc3cncc(-c4cn(-c5ncccc5F)nn4)n23)ccc1Cl,FWBXTAJNWHAULA-UHFFFAOYSA-N,2,1,0.354,22,844,410.775,3.366,5,0.453,0.77,1.0,0.053688917826057156,0.39959564114865326,0.6657785621273388,0.8051966965937907,0.48106495442395997
EOS-2-41603,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)cc1,VDKTVXQDMKMQRL-UHFFFAOYSA-N,2,1,0.384,22,990,410.775,3.366,5,0.453,0.76,1.0,0.15026386128435337,0.507684531560551,0.6657871290521554,0.8300921801110274,0.5384569255020218
EOS-2-41604,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4F)n23)ccc1Cl,HYULXWXUNOLVNC-UHFFFAOYSA-N,2,1,0.379,45,102,410.775,3.57,5,0.488,0.77,1.0,0.39564628880816943,0.6393153313686519,0.8768932903844836,0.9233774244397231,0.7088080837502571
EOS-2-41605,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cc1Cl,AXMIDNRGTGZCGT-UHFFFAOYSA-N,2,1,0.376,45,102,410.771,4.44,5,0.437,0.74,1.0,0.4358165992735248,0.6785432801041738,0.9342745528065246,0.9532417243506272,0.7504690391337127
EOS-2-41606,Fc1cc(-c2ncco2)ccc1-c1nnc2cncc(-c3cnc(F)c(Cl)c3)n12,QBZXIEYQFHNDCA-UHFFFAOYSA-N,2,1,0.36,96,575,410.771,4.44,5,0.409,0.75,1.0,0.3477229113837297,0.511865190871085,0.9064063463779042,0.9233859913645398,0.6723451099993146
EOS-2-41607,Fc1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)no4)n23)cc1F,JBPVRXOHSCOWJF-UHFFFAOYSA-N,2,1,0.448,45,102,410.771,4.44,5,0.437,0.87,1.0,0.43830100747035844,0.6931841546158591,0.8512867521074635,0.9191796312795559,0.7254878863683093
EOS-2-41608,Fc1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)c(F)c5)o4)n23)cc1,KYQHYUCLBQRBEJ-UHFFFAOYSA-N,2,1,0.448,45,730,410.771,4.44,5,0.437,0.84,1.0,0.4788396957028305,0.8122215749434583,0.8632975807004317,0.9233945582893565,0.7694383524090193
EOS-2-41609,Fc1ccc(F)c(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)c1,ZYBRTQLDSKGJQQ-UHFFFAOYSA-N,2,1,0.47,45,730,410.771,4.44,5,0.437,0.84,0.999,0.40838530601055445,0.7880028784867384,0.8381964909875951,0.916960797752039,0.7378863683092317
EOS-2-41610,Fc1cc(F)cc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)c1,CGMOFXLQUFJISC-UHFFFAOYSA-N,2,1,0.455,45,730,410.771,4.44,5,0.437,0.84,1.0,0.4019515454732369,0.77509252278802,0.8382050579124117,0.9149133027208554,0.732540607223631
EOS-2-41611,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)ccc1Cl,GDLFQMMLIUTZFD-UHFFFAOYSA-N,2,1,0.376,45,102,410.771,4.44,5,0.437,0.74,1.0,0.4591957370982112,0.7538636830923172,0.9342831197313413,0.9532502912754438,0.7751482077993285
EOS-2-41612,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)cc1F,UABFDSSYABBHNN-UHFFFAOYSA-N,2,1,0.448,45,102,410.771,4.44,5,0.437,0.87,1.0,0.4221866218902063,0.7172829141251457,0.8495905009937633,0.9180659310533891,0.726781492015626
EOS-2-41613,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccccc5F)n34)o2)ccc1Cl,PEQQFMIMWSWBLC-UHFFFAOYSA-N,2,1,0.463,45,730,410.771,4.44,5,0.437,0.81,1.0,0.38909259132341856,0.7080820368720444,0.8382136248372284,0.9115893358919882,0.7117443972311699
EOS-2-41614,Fc1cc(Oc2cncc3nnc(-c4ncc(-c5cc(F)c(Cl)c(F)c5)cn4)n23)ccc1Cl,ITDJREHUHMWLJS-UHFFFAOYSA-N,2,1,0.538,13,573,489.244,5.765,5,0.299,0.75,1.0,0.8006048248920568,0.7621393324652183,0.977820231649647,0.9879634706325817,0.882131964909876
EOS-2-41615,COc1nc(-c2nnc3cncc(OCc4cnnc(F)c4Cl)n23)ccc1-c1nc(Cl)co1,OZTPCNDSTYSGAE-UHFFFAOYSA-N,2,1,0.394,46,223,489.254,3.665,5,0.349,0.62,1.0,0.6608097457336715,0.592351449523679,0.4053697484750874,0.4126345007196217,0.5177913611130149
EOS-2-41616,Fc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4Cl)n23)ccc1-c1nnco1,HRIJWYBYHWGFQT-UHFFFAOYSA-N,2,1,0.595,88,629,489.269,5.048,5,0.309,0.64,1.0,0.9627424439723117,0.9542526214789939,0.9390377630045919,0.9506802138304434,0.9516782605715852
EOS-2-41617,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5c(F)ccc(F)c5Cl)n34)ccc2Cl)o1,FUVLOUJCRKPAMX-UHFFFAOYSA-N,2,1,0.529,34,607,489.269,5.314,5,0.309,0.57,1.0,0.9142450825851552,0.9432355561647591,0.914998971969022,0.9340946473853745,0.9266435645260778
EOS-2-41618,FCn1c(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c(F)c2)cnc1Cl,LIXPCKAOOPTZIT-UHFFFAOYSA-N,2,1,0.398,73,379,489.273,4.397,5,0.327,0.6,0.999,0.8217822630388596,0.80031354944829,0.682304160098691,0.7555770680556507,0.7649942601603728
EOS-2-41619,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1c(F)cc(F)cc1Cl,PPBDGYBWVBZIAC-UHFFFAOYSA-N,2,1,0.409,73,196,489.273,4.146,5,0.366,0.55,0.662,0.43582516619834144,0.47584983894181343,0.6795370433829073,0.7756151052018367,0.5917067884312247
EOS-2-41620,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)cc(Cl)n5)n34)cn2)cn1,WBCTXEYFISJDBD-UHFFFAOYSA-N,2,1,0.457,27,468,489.273,4.726,5,0.319,0.7,1.0,0.42688986361455694,0.6590363922966213,0.8675382084846823,0.8627835652114317,0.7040620074018231
EOS-2-41621,Cn1nc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1-c1ccc(F)c(Cl)c1,VPQDTVQDYQJUNJ-UHFFFAOYSA-N,2,1,0.409,95,998,489.273,4.146,5,0.343,0.65,1.0,0.4985264889315331,0.530172709204304,0.7035415667192104,0.7919693646768556,0.6310525323829758
EOS-2-41622,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ccc(Cl)c(F)c1F,BIIQKHSQUJQCRW-UHFFFAOYSA-N,2,1,0.407,73,196,489.273,4.146,5,0.343,0.58,0.999,0.45005482831882665,0.5030498252347337,0.732077993283531,0.7965869371530395,0.6204423959975327
EOS-2-41623,Cn1cnnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(Cl)n1,ZYZAFGNWWFVOOI-UHFFFAOYSA-N,2,1,0.449,36,51,489.273,5.019,5,0.32,0.77,0.999,0.7094698786923446,0.7580529093276678,0.829920841614694,0.8529059008978137,0.7875873826331301
EOS-2-41624,Cn1nc(-c2cc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)nc1F,XKAOANKSBJKXHN-UHFFFAOYSA-N,2,1,0.512,73,446,489.273,4.146,5,0.366,0.61,1.0,0.6668922623535056,0.820017476526626,0.6741570145980399,0.7782194503461037,0.7348215509560687
EOS-2-41625,Fc1ccc(OC(F)(F)F)c(-c2nnc3cncc(-c4cnc(Cl)nc4)n23)c1,YPDHRELDASIAPH-UHFFFAOYSA-N,2,1,0.375,68,861,410.718,3.939,4,0.376,0.85,1.0,0.5446336782948393,0.7751010897128366,0.990250839558632,0.9854876293605648,0.8238683092317183
EOS-2-41626,Fc1c(-c2nnc3cncc(-c4cncnc4)n23)ccc(Cl)c1OC(F)(F)F,VMGOVGRZELEVDH-UHFFFAOYSA-N,2,1,0.397,68,861,410.718,3.939,4,0.476,0.75,1.0,0.6852340483859913,0.8804742649578507,0.992700980056199,0.9882461791515318,0.8866638681378933
EOS-2-41627,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5Cl)n34)c(Cl)c2)cn1,GRDSNMKXXHWUCB-UHFFFAOYSA-N,2,1,0.359,45,315,489.288,6.184,5,0.304,0.8,1.0,0.29536186690425603,0.5582379549037078,0.997010143238983,0.9976783633746831,0.7120720821054074
EOS-2-41628,Cc1cc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)c(C(F)(F)F)c5)c4)n23)ccc1Cl,JXHAYGFCHKBOOX-UHFFFAOYSA-N,2,1,0.337,45,315,489.288,6.278,5,0.3,0.8,1.0,0.08027208553217736,0.40889932149955455,0.9965817969981495,0.9970187101637996,0.6206929785484202
EOS-2-41629,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5nc(Cl)sc5Cl)n34)c2)nc1,WYBSKGGFMTXMCP-UHFFFAOYSA-N,2,1,0.467,2,491,489.323,4.167,5,0.35,0.62,1.0,0.7309557261325474,0.6982043725584264,0.27962442601603726,0.4188112535124392,0.5318989445548625
EOS-2-41630,N#Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)ccc1Cl,PNRJNEHZRQXIHB-UHFFFAOYSA-N,2,1,0.465,87,279,489.326,4.443,5,0.344,0.66,1.0,0.8507384689191968,0.8695771365910493,0.7797529298882873,0.8340072647522445,0.8335189500376945
EOS-2-41631,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(Cl)c4)n23)c(Cl)c1,BYBKMXRIJFMNBC-UHFFFAOYSA-N,2,1,0.321,67,745,489.33,4.346,6,0.392,0.66,1.0,0.19434068946610925,0.3178843122472757,0.5760228908231101,0.6912308957576588,0.4448696970735384
EOS-2-41632,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n(-c2cccc(Cl)c2)n1,XPMXEQPWFUZHMT-UHFFFAOYSA-N,2,1,0.366,3,783,489.33,4.141,6,0.367,0.76,0.988,0.04160955383455555,0.4137653347954218,0.3087348365430745,0.5727931601672264,0.33422572133506956
EOS-2-41633,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(-c3nnn(-c4ccc(Cl)cc4Cl)n3)n12,SCTSSEZKKRYMIL-UHFFFAOYSA-N,2,1,0.275,10,158,489.33,4.141,6,0.367,0.64,0.269,0.024775546569803304,0.1622575560276883,0.19385237475155917,0.4376756219587417,0.20464027482694813
EOS-2-41634,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(Cl)cc5Cl)n4)n23)cn1,MULKTXQHDQOQHE-UHFFFAOYSA-N,2,1,0.284,10,871,489.33,4.141,6,0.367,0.68,0.26,0.05885477349050785,0.2053406209307107,0.3608388732780481,0.5066822013570009,0.2829291172640669
EOS-2-41635,Cn1cc(-c2cc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)c6)nn5)n34)ccc2Cl)nn1,CVODSRNHORZFSF-UHFFFAOYSA-N,2,1,0.311,10,783,489.33,4.141,6,0.367,0.68,1.0,0.0489942430265232,0.29752073195805634,0.522231169899253,0.6882924405455417,0.38925964635734356
EOS-2-41636,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Br)c5)n34)ccn2)nc1,PRLFILKZSWQGPE-UHFFFAOYSA-N,2,1,0.549,75,359,489.337,3.731,5,0.333,0.63,1.0,0.8033034062093071,0.6638595709684052,0.279632992940854,0.23875162771571518,0.4963868994585703
EOS-2-41637,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Br)c5)n34)ccn2)cn1,UELXBMQVQHVWRP-UHFFFAOYSA-N,2,1,0.517,65,454,489.337,3.731,5,0.356,0.66,1.0,0.7722483037488863,0.6736429991090398,0.37221574943458297,0.3108423000479748,0.532237338085121
EOS-2-41638,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Br)c5)n34)cc2)cc1,UTEDJCUKXDDJDX-UHFFFAOYSA-N,2,1,0.809,83,497,489.348,5.981,5,0.295,0.83,1.0,0.9902337057089987,0.9931721609211157,0.9410509903365089,0.9480159002124597,0.9681181892947708
EOS-2-41639,Fc1ccc(-c2nnc3cncc(OCc4coc(-c5ccc(OC(F)(F)F)cc5)n4)n23)cc1F,YUQTYOLQHZCGNL-UHFFFAOYSA-N,2,1,0.528,1,640,489.36,5.202,5,0.303,0.75,1.0,0.9745562332944966,0.9732626276471797,0.9896254540470153,0.9774775546569804,0.978730467411418
EOS-2-41640,Cn1ncc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)c1-c1cccc(F)c1,JFEWQPQGIAZGRQ-UHFFFAOYSA-N,2,1,0.575,37,626,489.363,5.321,5,0.323,0.74,1.0,0.5769052840792269,0.6206480021931328,0.7190562675621959,0.8180128161195257,0.6836555924885204
EOS-2-41641,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)sc5Cl)n34)cc2F)n1,LLSGPYAIHYAUEC-UHFFFAOYSA-N,2,1,0.565,37,626,489.363,5.321,5,0.323,0.71,1.0,0.7891851141114385,0.834872524158728,0.8152199986292921,0.8457268179014461,0.8212511137002262
EOS-2-41642,Cn1ncc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c1-c1ccc(Cl)c(F)c1,OYUTWRCUQXPWTI-UHFFFAOYSA-N,2,1,0.506,37,639,489.363,5.321,5,0.323,0.75,1.0,0.6792886025632239,0.6982129394832431,0.7563566582139675,0.8380851209649784,0.7429858303063532
EOS-2-41643,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1ccc(Cl)s1,UAGVCMZYZIHXAL-UHFFFAOYSA-N,2,1,0.583,95,381,489.363,5.321,5,0.323,0.72,1.0,0.5213487766431362,0.4937718456582825,0.7658659447604688,0.8340158316770612,0.6537505996847371
EOS-2-41644,FC(F)Oc1ccc(OC(F)(F)F)c(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)nc4)n23)c1,SMMGMUWEYWVOSS-UHFFFAOYSA-N,2,1,0.367,96,121,489.364,4.743,5,0.344,0.66,0.994,0.526797340826537,0.6062727023507641,0.989377013227332,0.9733140291960798,0.7739402714001782
EOS-2-41645,Cc1nc(-c2cc(F)cc(Oc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)c2F)n[nH]1,MGOGVUJBAFLHFM-UHFFFAOYSA-N,2,1,0.552,13,444,489.364,4.854,5,0.352,0.69,1.0,0.9357737646494414,0.9419333835926256,0.9764152559797136,0.94942944280721,0.9508879617572477
EOS-2-41646,Clc1cc(-c2ccc(-c3nnc4cncc(-c5cc(Cl)c(-c6ccccc6)s5)n34)cc2)n[nH]1,COSIBUWMPWAVDH-UHFFFAOYSA-N,2,1,0.36,93,220,489.391,6.884,6,0.293,0.65,1.0,0.27080049345486945,0.4137739017202385,0.8572664656294976,0.9191881982043726,0.6152572647522445
EOS-2-41647,Fc1cc(-c2cc(F)c(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2F)ccn1,UNOXIUBCXQRONM-UHFFFAOYSA-N,2,1,0.325,45,923,489.392,5.127,6,0.25,0.64,1.0,0.38224761839490096,0.577265094921527,0.9588616270303612,0.960283736549928,0.7196645192241793
EOS-2-41648,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)nn1C,OEUOXSRHAZMXCV-UHFFFAOYSA-N,2,1,0.392,31,569,489.392,4.398,5,0.337,0.51,0.993,0.3055822082105407,0.22553286272359674,0.2251473511068467,0.3011531080803235,0.2643538825303269
EOS-2-41649,Fc1cccc(-c2cccc(-c3nnc4cncc(-c5cn(-c6nccc(F)c6F)nn5)n34)c2F)n1,FZJQBULABRKAFC-UHFFFAOYSA-N,2,1,0.295,10,783,489.396,4.052,6,0.272,0.58,1.0,0.035587005688438075,0.23548762936056472,0.7681447467617024,0.830100747035844,0.46733003221163727
EOS-2-41650,Fc1cc(-c2noc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)c(F)c5)n34)n2)ccn1,CKPDCKZLJDCEJB-UHFFFAOYSA-N,2,1,0.459,35,325,489.402,3.186,6,0.305,0.62,1.0,0.7309642930573641,0.5627784250565417,0.27614625454047015,0.3076811047906244,0.46939251936125004
EOS-2-41651,FC(F)n1cncc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5nnco5)n4)n23)cn1,ZBRIBYPKMBULTI-UHFFFAOYSA-N,2,1,0.356,6,843,489.406,2.864,6,0.326,0.61,1.0,0.5498680693578233,0.3899664176547187,0.30874340346789114,0.25331539990405044,0.3754733225961209
EOS-2-41652,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)no5)n34)nn2)cn1,YTMVNBVGNOQRSG-UHFFFAOYSA-N,2,1,0.382,6,843,489.406,2.864,6,0.326,0.67,1.0,0.3568552532382976,0.3757538893838668,0.21455006510862862,0.18654478788294154,0.2834259989034336
EOS-2-41653,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ncccn6)no5)n34)cn2)cn1,XGXCRKGZFOWNRJ-UHFFFAOYSA-N,2,1,0.414,80,34,489.406,2.864,6,0.326,0.66,1.0,0.37296107189363303,0.444991775752176,0.177429579878007,0.1466400520869029,0.28550561990267975
EOS-2-41654,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)csc5Cl)n34)cn2)cs1,IARAWLXTXSWAIJ-UHFFFAOYSA-N,2,1,0.551,58,981,489.413,5.608,5,0.309,0.64,1.0,0.7398139263929819,0.8382136248372284,0.45287334658351036,0.5337622507024878,0.6411657871290521
EOS-2-41655,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5nc(Cl)sc5Cl)n34)c2)cs1,WPKLPRMPXRCOAZ-UHFFFAOYSA-N,2,1,0.489,11,684,489.413,5.608,5,0.309,0.61,1.0,0.7429151531766157,0.7668768418888355,0.2942053320540059,0.4028082379549037,0.5517013912685902
EOS-2-41656,N#Cc1cccc(Oc2cc(-c3nnc4cncc(OCc5cnccn5)n34)ccc2C(F)(F)F)c1,NVBMZENTGYRCPK-UHFFFAOYSA-N,2,1,0.473,27,676,489.417,4.843,5,0.333,0.69,1.0,0.9237800699061065,0.911777808237955,0.9806216160646974,0.9466023576177095,0.9406954629566172
EOS-2-41657,Fc1cncc2nnc(COc3cncc4nnc(-c5ccc(-c6cnn(C(F)F)c6)cc5)n34)cc12,YEMYJJRLPHZCPH-UHFFFAOYSA-N,2,1,0.449,56,519,489.421,4.106,6,0.344,0.61,1.0,0.5036152422726338,0.6638681378932219,0.8050681927215406,0.7633986704132685,0.6839875608251662
EOS-2-41658,Fc1cc(F)c(-n2ncnc2COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cc1F,YPKAREREYROJGC-UHFFFAOYSA-N,2,1,0.41,34,178,489.421,3.758,6,0.355,0.62,1.0,0.6309711465972174,0.571927900760743,0.7190648344870125,0.7350078815708313,0.6642429408539511
EOS-2-41659,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4oc(C(F)F)nc4-c4ccc(F)cc4)n23)nc1,GFMOJFXWEYJGFD-UHFFFAOYSA-N,2,1,0.329,98,314,489.421,4.381,6,0.351,0.68,0.957,0.2386316907682818,0.45387567678706053,0.49415735727503257,0.5034182030018505,0.4225207319580564
EOS-2-41660,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6n[nH]c(=N)o6)c(F)c5)n34)n2C)no1,HOUANESSHRBHSM-UHFFFAOYSA-N,2,1,0.42,4,677,489.431,2.064,6,0.352,0.56,1.0,0.3912514563772188,0.34182030018504556,0.04708381879240628,0.035124391748338014,0.2038199917757522
EOS-2-41661,Fc1cccc(C#Cc2cc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)ccc2F)n1,YQDSNZXFKVFCSZ-UHFFFAOYSA-N,2,1,0.304,94,106,489.449,3.778,6,0.273,0.71,1.0,0.3822561853197176,0.5076930984853677,0.8152285655541087,0.7806438900692207,0.6214554348571038
EOS-2-41662,Cc1nccc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)c3cccn3n2)n1,DDKMXIVIJHOMGH-UHFFFAOYSA-N,2,1,0.3,6,870,489.459,3.442,7,0.35,0.64,0.262,0.4152388458638887,0.28178329106983757,0.14887601946405318,0.13272736618463438,0.24465638064560347
EOS-2-41663,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(CC(F)(F)F)c5)cc4)n23)cc1,VAQHDZYRTOEXIT-UHFFFAOYSA-N,2,1,0.638,91,322,489.461,4.71,5,0.329,0.74,1.0,0.6882924405455417,0.7580614762524844,0.9624083339044617,0.9243968884929066,0.8332897847988486
EOS-2-41664,COc1ccnc(-n2cc(-c3cncc4nnc(-c5cc(F)c(-c6nccs6)cc5F)n34)cn2)n1,OEAOBGLYNBGEPI-UHFFFAOYSA-N,2,1,0.305,10,151,489.471,3.844,6,0.359,0.62,0.742,0.17730964293057364,0.2871033513809883,0.41966794599410595,0.387302104036735,0.3178457610856007
EOS-2-41665,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-n6ccnc6)n5)n34)s2)nc1,PSGXVJKWJGNPHM-UHFFFAOYSA-N,2,1,0.392,46,775,489.471,3.748,6,0.348,0.66,1.0,0.2756493729011034,0.20086011925159344,0.31630799808100885,0.319991775752176,0.2782023164964704
EOS-2-41666,N#Cc1cc(F)cc(-c2nnc3cncc(OCc4cncc(-n5ccc(-c6ccccc6)n5)n4)n23)c1,SCFKYFKMPWEFIR-UHFFFAOYSA-N,2,1,0.455,77,177,489.474,4.024,6,0.344,0.64,1.0,0.37296963881844974,0.4538842437118772,0.6252398738948667,0.6364282777054349,0.5221305085326571
EOS-2-41667,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C6CCOC6)n5)cc4)n23)cc1F,QXCFYXTWDARNAB-UHFFFAOYSA-N,2,1,0.644,91,781,489.486,3.911,6,0.342,0.64,0.968,0.4861301487218148,0.4405455417723254,0.34188026865876225,0.45998389418134467,0.43213496333356183
EOS-2-41668,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(N6CCCCC6)o5)cc4F)n23)cn1,SYKWNUNNTULKPV-UHFFFAOYSA-N,2,1,0.457,16,91,489.486,4.689,6,0.317,0.63,1.0,0.3912600233020355,0.312667055033925,0.03933931875813858,0.1755619902679734,0.22970709684051813
EOS-2-41669,CNCc1cc(C(F)F)c(-c2cc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)ccn2)cn1,HHMVPVJNBOVSRX-UHFFFAOYSA-N,2,1,0.44,7,567,489.49,3.583,5,0.349,0.6,0.995,0.3868137893221849,0.2610770337879515,0.5883763964087451,0.39976697964498664,0.409008549790967
EOS-2-41670,Cc1nncc(-c2ccc(COc3cncc4nnc(-c5ccc(CN(C)C)c(F)c5F)n34)nc2)n1,ORJFRPQUQPGAHY-UHFFFAOYSA-N,2,1,0.474,4,677,489.49,3.266,5,0.34,0.65,1.0,0.4762610513330135,0.4891114385580152,0.5257693098485368,0.37469159070659996,0.46645834761154137
EOS-2-41671,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5C(=O)O)cc4)n23)cc1,BRRKNDJOTUWCJS-UHFFFAOYSA-N,2,1,0.471,12,285,489.495,4.744,6,0.356,0.83,1.0,0.39347885682955247,0.07985230621616064,0.5357240764855048,0.42515077787677336,0.35855150435199784
EOS-2-41672,OCc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)nn1,KVLQNYQBKMZRJE-UHFFFAOYSA-N,2,1,0.506,28,297,489.499,3.172,6,0.356,0.65,1.0,0.4383095743951751,0.385006168185868,0.32716229182372697,0.26241347405935167,0.3532228771160304
EOS-2-41673,Cc1cnccc1-c1cc(=O)[nH]c(-c2ccc(-c3nnc4cncc(OCc5cccnc5)n34)cn2)n1,OKWVBYLJLXLQFI-UHFFFAOYSA-N,2,1,0.434,6,78,489.499,3.281,6,0.374,0.46,0.997,0.41524741278870536,0.27673737235282025,0.3571379617572476,0.2860324857789048,0.33378880816941947
EOS-2-41674,Oc1cccc(-c2ccc(-c3nnc4cncc(OCCc5nccc(-c6cccnn6)n5)n34)nc2)c1,VNEWENJGTQESCO-UHFFFAOYSA-N,2,1,0.408,28,218,489.499,3.427,6,0.355,0.56,0.649,0.4910646974162155,0.35167226372421356,0.20791926530052773,0.21547529298882873,0.3165328798574464
EOS-2-41675,COc1cc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)ccc1-c1cnccn1,IKPRKMXONBHMMA-UHFFFAOYSA-N,2,1,0.475,81,218,489.499,3.688,6,0.328,0.58,1.0,0.39989548351723664,0.2305445137413474,0.37610513330135015,0.2654975669933521,0.3180106743883216
EOS-2-41676,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nn2)nc1,ZRKDYSRBJYSCKC-UHFFFAOYSA-N,2,1,0.451,28,942,489.499,3.847,6,0.311,0.64,1.0,0.4613631690768282,0.4494380097320266,0.257453224590501,0.2065142896305942,0.3436921732574875
EOS-2-41677,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)cc5)n34)nc2)nn1,AMPRSVVNWKFANL-UHFFFAOYSA-N,2,1,0.427,6,2,489.499,3.172,6,0.356,0.69,0.913,0.43831814131999175,0.28711191830580496,0.4159841683229388,0.3422400795010623,0.37091357686244947
EOS-2-41678,COc1nccnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,CBGAHDUCWPYTPT-UHFFFAOYSA-N,2,1,0.41,28,59,489.499,3.688,6,0.328,0.65,1.0,0.47098382564594615,0.36125008566924816,0.1870331025974916,0.13707079706668493,0.2890844527448427
EOS-2-41679,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)nc2)cn1,OWORSPMOFPHARM-UHFFFAOYSA-N,2,1,0.417,28,280,489.499,3.688,6,0.328,0.65,1.0,0.4244397231169899,0.26108560071276815,0.30521383044342404,0.20652285655541086,0.29931550270714824
EOS-2-41680,c1ccc(COc2nccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)cc1,XGUARMYXURXTOX-UHFFFAOYSA-N,2,1,0.442,28,414,489.499,3.591,6,0.313,0.65,1.0,0.41293434308820504,0.27151154821465284,0.27964155986567063,0.20355013364402713,0.29190939620313894
EOS-2-41681,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cn2)cn1,GMILXLNTYYSYNB-UHFFFAOYSA-N,2,1,0.43,28,414,489.499,3.688,6,0.328,0.72,1.0,0.4739137139332465,0.37087074223836614,0.28349667603317114,0.17557055719279008,0.3259629223493935
EOS-2-41682,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nn(C)cc6C#N)nn5C)n34)cn2)cn1,FYWXXTBWDSVVQZ-UHFFFAOYSA-N,2,1,0.356,6,502,489.503,3.355,6,0.357,0.67,1.0,0.35922829141251456,0.297529298882873,0.22891679802618053,0.16483620039750532,0.26262764717976833
EOS-2-41683,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)c2)nc1,ULXNPPOHRLASPU-UHFFFAOYSA-N,2,1,0.583,17,403,489.51,6.364,6,0.26,0.81,1.0,0.9607806181892947,0.8486395723391131,0.9042474813241039,0.8836097594407512,0.8993193578233157
EOS-2-41684,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)ccn2)cc1,RTWMPMDZVZKDAV-UHFFFAOYSA-N,2,1,0.575,17,403,489.51,6.364,6,0.26,0.83,1.0,0.9742563909259132,0.8804828318826674,0.9102100609965047,0.8932047152354191,0.9145384997601261
EOS-2-41685,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)nc2)cc1,XEUXJLSOIVBAPT-UHFFFAOYSA-N,2,1,0.5,17,410,489.51,6.364,6,0.26,0.85,1.0,0.8882273319169351,0.7494174491124665,0.9052412446028374,0.894626824754986,0.8593782125968064
EOS-2-41686,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)c2)nc1,QDPAACGATXWGAO-UHFFFAOYSA-N,2,1,0.54,17,403,489.51,6.364,6,0.26,0.85,1.0,0.8846292234939346,0.7494260160372832,0.9031166472483038,0.882247618394901,0.8548548762936057
EOS-2-41687,Fc1cc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)ccc1-c1cccnc1,AEUMTYZCIPPMSS-UHFFFAOYSA-N,2,1,0.56,17,410,489.51,6.364,6,0.26,0.8,1.0,0.9387550544856418,0.8416917963127956,0.9243711877184566,0.9069546295661709,0.9029431670207663
EOS-2-41688,Fc1cncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)c2)c1,IEDZDBMXRDGKMG-UHFFFAOYSA-N,2,1,0.54,17,410,489.51,6.364,6,0.26,0.78,1.0,0.8882358988417518,0.7263895552052635,0.917860324857789,0.9034164896168871,0.8589755671304228
EOS-2-41689,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(Oc6ccccc6)c5)n34)c2)nc1,VTYAVBSAUGFRPV-UHFFFAOYSA-N,2,1,0.522,17,403,489.51,6.364,6,0.26,0.79,1.0,0.9211243232129395,0.7751096566376533,0.8986275786443698,0.8793605647316839,0.8685555308066616
EOS-2-41690,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)cc2)cn1,DNGCZMHVUAKOOF-UHFFFAOYSA-N,2,1,0.593,17,403,489.51,6.364,6,0.243,0.78,1.0,0.9639332465218285,0.8450928654650127,0.9243797546432733,0.9023456240148037,0.9089378726612296
EOS-2-41691,Cc1ccncc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)n1,NKODLNJSCDHIDM-UHFFFAOYSA-N,2,1,0.506,41,492,489.514,5.337,6,0.312,0.67,1.0,0.855090466726064,0.838222191762045,0.7748012473442533,0.7530583921595504,0.8052930744979782
EOS-2-41692,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc1-c1cncnc1,NKZWKZLSPVADLQ-UHFFFAOYSA-N,2,1,0.533,41,737,489.514,5.071,6,0.309,0.75,1.0,0.754720375573984,0.7494345829621,0.7903159481872387,0.7827085189500377,0.7692948564183401
EOS-2-41693,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(-c6cccnc6)cc5)n34)c2)nn1,CEPOQWMLMRQGIZ-UHFFFAOYSA-N,2,1,0.567,12,808,489.514,5.071,6,0.309,0.78,1.0,0.8918254403399356,0.8162565965321088,0.7658745116852854,0.7402165718593654,0.8035432801041738
EOS-2-41694,COc1nc(-c2nnc3cncc(-c4ccc(F)c(-c5ccccc5)n4)n23)ccc1-c1cccc(C)n1,JCUZOJDOVHLMDS-UHFFFAOYSA-N,2,1,0.276,30,93,489.514,5.433,6,0.319,0.58,0.995,0.4568912343225276,0.4937804125830992,0.5291532451511205,0.487389486669865,0.4918035946816531
EOS-2-41695,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)ccc1-c1cccnn1,LUHFKDMYCFBUSR-UHFFFAOYSA-N,2,1,0.598,77,492,489.514,5.071,6,0.309,0.72,1.0,0.9526591734630937,0.9299739565485573,0.8069443492563909,0.7849873209512713,0.8686412000548284
EOS-2-41696,COc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(S(C)(=O)=O)cc5)n34)c2)cn1,TWSUIISCZJPCSB-UHFFFAOYSA-N,2,1,0.465,2,879,489.517,2.634,5,0.336,0.73,1.0,0.35686382016311424,0.2053491878555274,0.34565828250291275,0.2154838599136454,0.28083878760879993
EOS-2-41697,CCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C)c5)cc4)n23)cc1,HUTSDDVKLVDZFA-UHFFFAOYSA-N,2,1,0.558,89,230,410.481,4.333,5,0.417,0.81,1.0,0.5630439997258584,0.4043502844219039,0.7217548488794462,0.5791669522308273,0.5670790213145089
EOS-2-41698,N#Cc1cnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)n2)nc1,ZGWVJJLQFKTEFL-UHFFFAOYSA-N,2,1,0.495,40,8,489.524,4.217,6,0.338,0.65,1.0,0.5914347885682956,0.6492529641559865,0.3761137002261668,0.37806695908436705,0.498717103008704
EOS-2-41699,N#Cc1csc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)n1,AKERQKGLFDCTKZ-UHFFFAOYSA-N,2,1,0.443,28,120,489.524,4.217,6,0.338,0.67,1.0,0.657468645055171,0.6590449592214379,0.2835052429579878,0.277234253992187,0.4693132753066959
EOS-2-41700,Fc1ccc(OCCC2CCCO2)c(-c2nnc3cncc(-c4ccsc4)n23)c1,BEDJYWGFXZYMRM-UHFFFAOYSA-N,2,1,0.337,63,548,410.474,4.607,5,0.465,0.74,1.0,0.34773147830854634,0.3178928791720924,0.319991775752176,0.5302926461517373,0.378977194846138
EOS-2-41701,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)s4)n23)cn1,QESPLYKMVBVFMX-UHFFFAOYSA-N,2,1,0.53,1,348,410.462,4.365,5,0.428,0.78,1.0,0.560037009115208,0.4089078884243712,0.6403262284970187,0.6215817969981495,0.5577132307586868
EOS-2-41702,COc1cc(C#N)ccc1-c1nnc2cncc(-c3ccc(-c4nccs4)cc3)n12,SGMFZRJEPWBLLC-UHFFFAOYSA-N,2,1,0.359,62,697,410.462,4.462,5,0.434,0.83,1.0,0.2571448152971009,0.17470529778630664,0.744791309711466,0.6736601329586731,0.4625753889383867
EOS-2-41703,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cc1,ZQKXYDBXBOSMKY-UHFFFAOYSA-N,2,1,0.59,89,744,410.462,4.365,5,0.428,0.75,1.0,0.6941179494208759,0.7080906037968611,0.7819117949420876,0.748038174216983,0.733039630594202
EOS-2-41704,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)cc4)n23)cc1,NUTIMXUFAGEXOF-UHFFFAOYSA-N,2,1,0.654,17,960,489.539,5.001,6,0.297,0.76,1.0,0.6252912754437667,0.40891645534918786,0.5659567541635254,0.5066907682818176,0.5267138133095743
EOS-2-41705,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Oc6ccccc6)cc5)n34)nc2)cn1,OUKOCBHGKSMFHJ-UHFFFAOYSA-N,2,1,0.511,17,410,489.539,5.001,6,0.297,0.81,1.0,0.4333921595504078,0.13943526831608527,0.6252484408196833,0.5368035090124049,0.4337198444246454
EOS-2-41706,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnn(C)c6)cn5)n34)cc2)cc1,MRNVXABRWRLLRA-UHFFFAOYSA-N,2,1,0.578,12,190,489.539,4.841,6,0.317,0.75,1.0,0.3706651360427661,0.2817918579946542,0.7395654855732986,0.594570283051196,0.4966481906654787
EOS-2-41707,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)cc1,ZFVXHVGOQPCTHE-UHFFFAOYSA-N,2,1,0.566,17,593,489.539,5.441,6,0.281,0.7,1.0,0.5213573435679528,0.292500514015489,0.5561304913988074,0.4998457953533,0.4674585360838873
EOS-2-41708,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Oc6ccccc6)cc5)n34)cn2)c1,TWUGFZDQERGQLJ-UHFFFAOYSA-N,2,1,0.558,17,960,489.539,5.001,6,0.297,0.8,1.0,0.6140857377835652,0.39960420807346997,0.582088273593311,0.4966417654718662,0.5231049962305531
EOS-2-41709,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Oc6ccccc6)cn5)n34)cc2)cn1,GPXPANQMNPZYQR-UHFFFAOYSA-N,2,1,0.575,17,960,489.539,5.001,6,0.297,0.79,1.0,0.5742067027619766,0.37576245630868343,0.6013895552052635,0.5098433966143513,0.5153005277225687
EOS-2-41710,COc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccn(C)n6)cc5)n34)c2)nc1,FLDRTCMRVAIVJI-UHFFFAOYSA-N,2,1,0.523,77,323,489.539,4.841,6,0.317,0.72,1.0,0.44293571379617575,0.30755260091837433,0.6875728188609417,0.5337708176273045,0.4929579878006991
EOS-2-41711,COc1nc(C)n(C)c1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,SEJYWEXUQLLUEP-UHFFFAOYSA-N,2,1,0.409,12,285,489.539,5.363,6,0.311,0.66,1.0,0.4451031457747927,0.3272993626207936,0.4196765129189226,0.3261599616201768,0.37955974573367146
EOS-2-41712,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5)nn4)n23)cc1,VKSMVUQEFTZJMN-UHFFFAOYSA-N,2,1,0.494,67,755,489.543,4.148,6,0.314,0.7,1.0,0.5470838187924063,0.39460969090535264,0.17743814680282366,0.18395757658830786,0.32577230827222264
EOS-2-41713,Cc1ccccc1-c1ccc(CCOc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)nn1,ZKHKPKYGWLYEBK-UHFFFAOYSA-N,2,1,0.536,67,755,489.543,3.974,6,0.331,0.7,1.0,0.5769138510040436,0.427275375231307,0.24323212939483244,0.22097525872112947,0.3670991535878282
EOS-2-41715,Cc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,AVBAQHPXTUFGIW-UHFFFAOYSA-N,2,1,0.704,79,23,410.452,5.485,5,0.385,0.89,1.0,0.9894626824754986,0.9708981563977794,0.9368017956274416,0.9284833116304572,0.9564114865327942
EOS-2-41717,Fc1cccc(-c2ccc(CCOc3cncc4nnc(-c5ccccc5)n34)cc2)c1,DSUOUJTURFNGSN-UHFFFAOYSA-N,2,1,0.814,79,650,410.452,5.219,5,0.385,0.85,1.0,0.939757384689192,0.9796364197107806,0.8963402097183195,0.904735796038654,0.9301174525392366
EOS-2-41718,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)c(F)c4)n23)cc1,PNXNBUSDNDXVBO-UHFFFAOYSA-N,2,1,0.658,79,650,410.452,5.485,5,0.385,0.85,1.0,0.9831488588856144,0.9580563360975944,0.9334692618737578,0.9234031252141731,0.949519395517785
EOS-2-41719,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,GEJZCPDNLJHDAV-UHFFFAOYSA-N,2,1,0.783,79,650,410.452,5.219,5,0.385,0.82,1.0,0.987106778150915,0.9867555342334315,0.8976338153656364,0.9069631964909876,0.9446148310602426
EOS-2-41720,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,VVEHCIOSZBZDAJ-UHFFFAOYSA-N,2,1,0.506,20,846,410.441,2.968,5,0.421,0.78,1.0,0.5742152696867933,0.4843824960592146,0.21804537043382907,0.1729833458981564,0.3624066205194983
EOS-2-41721,Cc1cccnc1CCOc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,SWLXJHGOIZOLIQ-UHFFFAOYSA-N,2,1,0.541,75,530,410.441,2.968,5,0.421,0.73,1.0,0.49853505585634983,0.3946182578301693,0.18053080666164073,0.14403570694263587,0.3044299568226989
EOS-2-41722,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccncn5)n34)c2)cn1,MUPRKFZNBLNQBV-UHFFFAOYSA-N,2,1,0.505,15,846,410.441,2.968,5,0.421,0.72,1.0,0.6281954629566171,0.47585840586663014,0.24677026934411625,0.19229319443492565,0.38577933315057233
EOS-2-41723,Cn1c(C#N)ccc1CCOc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,VZEVFLMDRHFHSH-UHFFFAOYSA-N,2,1,0.494,15,889,410.441,3.013,5,0.461,0.64,1.0,0.7976920704543897,0.6931927215406758,0.5357326434103215,0.4537471729148105,0.6200911520800493
EOS-2-41724,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cn1,LCIXNIBCQRTBSB-UHFFFAOYSA-N,2,1,0.528,65,981,410.441,2.968,5,0.421,0.69,1.0,0.712322664656295,0.5582465218285244,0.23603591254883147,0.18133609759440752,0.4219852991570146
EOS-2-41725,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4ccccn4)n23)cn1,BACGZIHJOZIWRQ-UHFFFAOYSA-N,2,1,0.576,87,796,410.441,2.968,5,0.421,0.74,1.0,0.49107326434103216,0.39462682475498595,0.1903827702008087,0.15692892879172093,0.3082529470221369
EOS-2-41726,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)n1,QADREIPNTKSQHL-UHFFFAOYSA-N,2,1,0.531,65,858,410.441,2.968,5,0.421,0.68,1.0,0.6084572681790145,0.38055136728120076,0.3015386196970735,0.24155301213076555,0.3830250668220136
EOS-2-41727,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n1,YHJKHKGZKKPCKT-UHFFFAOYSA-N,2,1,0.5,65,858,410.441,2.968,5,0.421,0.67,1.0,0.6484648070728531,0.3805599342060174,0.2761548214652868,0.22371667466246317,0.38222405935165515
EOS-2-41728,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccncc5)n34)c2)c(C)n1,GTPSNIHCDVWNOU-UHFFFAOYSA-N,2,1,0.385,18,840,410.441,3.234,5,0.435,0.77,1.0,0.38002021794256735,0.15467582756493728,0.29068432595435545,0.1947519018573093,0.25503306832979233
EOS-2-41729,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccnn5)n34)c2)cn1,BOIUEIRDVVTBTO-UHFFFAOYSA-N,2,1,0.489,15,506,410.441,2.968,5,0.421,0.74,1.0,0.5687238708793092,0.4581934068946611,0.2008515523267768,0.170104859159756,0.3494684223151258
EOS-2-41730,Cc1cnc(COc2cncc3nnc(-c4cccc(-c5ccc(C)nn5)c4)n23)cn1,TUDXRSQPDNWODQ-UHFFFAOYSA-N,2,1,0.472,4,506,410.441,3.234,5,0.435,0.79,1.0,0.33832499485984513,0.2610941676375848,0.2432406963196491,0.1701134260845727,0.25319332122541294
EOS-2-41731,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)n1,HVEZFMPQLHNFGG-UHFFFAOYSA-N,2,1,0.613,15,393,410.441,2.968,5,0.421,0.76,1.0,0.670207662257556,0.44944657665684323,0.23604447947364815,0.20043177301076007,0.3890326228497019
EOS-2-41732,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)n1,CCXAIQOYJFNASF-UHFFFAOYSA-N,2,1,0.484,58,579,410.441,2.968,5,0.421,0.73,1.0,0.642562195874169,0.5118737577959016,0.2079278322253444,0.1569374957165376,0.3798253204029881
EOS-2-41733,CCc1nc(-c2nnc3cncc(OCc4ccncc4)n23)ccc1-c1cncnc1,VGQHCKCNNQEMLZ-UHFFFAOYSA-N,2,1,0.391,18,717,410.441,3.18,5,0.42,0.73,0.575,0.36615036666438217,0.20086868617641013,0.2684702899047358,0.21549242683846206,0.26274544239599756
EOS-2-41734,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,UMCPHSYAYHODRU-UHFFFAOYSA-N,2,1,0.551,65,4,410.441,2.968,5,0.421,0.8,1.0,0.6113957233911316,0.43649338633404156,0.3571465286820643,0.26841888835583577,0.4183636316907683
EOS-2-41735,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)cc2)nn1,WWQKFDRXNYIZHW-UHFFFAOYSA-N,2,1,0.538,72,889,410.441,2.968,5,0.421,0.67,1.0,0.8112535124391749,0.7127681447467618,0.30154718662189023,0.24725001713384964,0.5182047152354191
EOS-2-41736,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)n1,AUYYCGBQPCAOPF-UHFFFAOYSA-N,2,1,0.59,75,530,410.441,2.968,5,0.421,0.66,1.0,0.6225584264272497,0.3612586525940648,0.2612569392091015,0.20355870056884381,0.36215817969981495
EOS-2-41737,c1ccc(Oc2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2)cc1,PHQZYWFXFUUJDZ-UHFFFAOYSA-N,2,1,0.653,79,881,410.437,3.995,5,0.401,0.79,1.0,0.901874443149887,0.6884295113426084,0.5459615516414228,0.509851963539168,0.6615293674182715
EOS-2-41738,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cc1,QWOSTDGSRCQQPW-UHFFFAOYSA-N,2,1,0.585,1,230,410.437,3.32,5,0.458,0.74,1.0,0.7605630182989515,0.4803817421698307,0.7797614968131039,0.702419299568227,0.6807813892125283
EOS-2-41739,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)cc1,OHJGTTQHUHRBPP-UHFFFAOYSA-N,2,1,0.529,1,347,410.437,3.32,5,0.458,0.75,1.0,0.6454149818381194,0.48039030909464736,0.5852237680762113,0.5264375299842369,0.5593666472483038
EOS-2-41740,OCc1ccc(-c2nnc3cncc(OCc4cnccc4-c4cccnc4)n23)cc1,QRHYKKOUIASKNB-UHFFFAOYSA-N,2,1,0.58,97,91,410.437,3.32,5,0.458,0.65,1.0,0.6821842231512576,0.42728394215612364,0.7370725104516482,0.6562864094304708,0.6257067712973751
EOS-2-41741,c1cncc(Oc2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2)c1,XJTXLILBGXJPTK-UHFFFAOYSA-N,2,1,0.623,35,393,410.437,3.995,5,0.401,0.82,1.0,0.8729525049688164,0.7080991707216777,0.6133318483996985,0.5337793845521211,0.6820407271605785
EOS-2-41742,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cn4)n23)cc1,POSVSWCNJWIOBS-UHFFFAOYSA-N,2,1,0.59,1,744,410.437,3.32,5,0.458,0.78,1.0,0.5769224179288602,0.45389281063669384,0.6984613803029265,0.6157134534987321,0.5862475155918032
EOS-2-41743,COc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,MKHFCJBYBBZPRV-UHFFFAOYSA-N,2,1,0.482,97,529,410.437,3.836,5,0.42,0.82,1.0,0.5824823521348776,0.44945514358165994,0.6370879309163183,0.5232420670276198,0.548066873415119
EOS-2-41744,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4)n23)cc1,ASBCOBHBQMBIFG-UHFFFAOYSA-N,2,1,0.662,1,230,410.437,3.32,5,0.458,0.83,1.0,0.8529487355218971,0.5118823247207183,0.679545610307724,0.582293879788911,0.6566676375848126
EOS-2-41745,OCc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccccn4)n23)nc1,BHRPKWXRCLAALB-UHFFFAOYSA-N,2,1,0.506,1,700,410.437,3.32,5,0.458,0.77,0.999,0.380028784867384,0.3317969981495442,0.5789099444863272,0.5232506339524364,0.453496590363923
EOS-2-41746,COc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2)n1,KMALETGWJQONOX-UHFFFAOYSA-N,2,1,0.638,1,347,410.437,3.836,5,0.42,0.79,1.0,0.5135014735110685,0.44055410869714207,0.5084726886436844,0.37807552600918376,0.46015094921526967
EOS-2-41747,COc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1ccccn1,KQEDLXXCGTXFNZ-UHFFFAOYSA-N,2,1,0.654,1,61,410.437,3.836,5,0.42,0.77,1.0,0.42219518881502294,0.2818004249194709,0.5323315742581043,0.40583236241518744,0.4105398876019464
EOS-2-41748,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2)cn1,DEUDMEPDCDYSCK-UHFFFAOYSA-N,2,1,0.662,1,744,410.437,3.836,5,0.42,0.83,1.0,0.4959735453361661,0.4405626756219587,0.5820968405181276,0.44093105338907546,0.48989102871633194
EOS-2-41749,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)nc4)n23)cc1,UVLBAXDODBCBDB-UHFFFAOYSA-N,2,1,0.603,1,347,410.437,3.32,5,0.458,0.79,1.0,0.8684720032896991,0.5213059420190529,0.5821054074429443,0.5066993352066342,0.6196456719895826
EOS-2-41750,COc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cnccn4)n23)cc1,ALVSFILLHHZKOK-UHFFFAOYSA-N,2,1,0.53,1,700,410.437,3.836,5,0.42,0.8,1.0,0.4811184977040642,0.3612672195188815,0.6013981221300801,0.48739805359468164,0.48279547323692684
EOS-2-41751,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)cc1,NETRVOIKNJGBNC-UHFFFAOYSA-N,2,1,0.568,97,230,410.437,3.32,5,0.458,0.8,1.0,0.7836166129806045,0.44057124254677543,0.7009800561990268,0.6065382770200809,0.6329265471866219
EOS-2-41752,c1ccc(Oc2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cc1,SNDQMUJBSQMYNE-UHFFFAOYSA-N,2,1,0.582,11,881,410.437,3.995,5,0.401,0.82,1.0,0.5972345966691797,0.48039887601946407,0.49096189431841547,0.42845761085600714,0.49926324446576664
EOS-2-41753,Fc1cccc(-c2cc(-c3cncc4nnc(-c5cnc(C6CC6)nc5)n34)ccn2)n1,XXVORLCTYBQHNC-UHFFFAOYSA-N,2,1,0.3,82,478,410.416,3.722,6,0.417,0.76,1.0,0.31359228291412516,0.33180556507436093,0.1367109862243849,0.280147008429854,0.2655639606606813
EOS-2-41754,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4F)n23)cc1,BNAXCLXIUOPCJN-UHFFFAOYSA-N,2,1,0.537,1,230,410.412,4.172,5,0.434,0.77,1.0,0.9262730450277569,0.8348810910835447,0.9350027414159413,0.922477897333973,0.904658693715304
EOS-2-41755,Fc1cccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)s4)n23)c1F,IVGKZDNSBAAHDA-UHFFFAOYSA-N,2,1,0.5,4,10,410.409,3.896,5,0.44,0.65,1.0,0.4429442807209924,0.5490542115002399,0.6957713659104928,0.6995665136042766,0.5968340929340004
EOS-2-41756,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)cn4)n23)cc1,KNOROIKAQLGBSD-UHFFFAOYSA-N,2,1,0.58,36,447,410.401,1.827,5,0.425,0.76,1.0,0.40392193818107053,0.38997498457953533,0.21805393735864573,0.2093585086697279,0.30532734219724483
EOS-2-41757,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)ncn2)c1,QCBDPXGNSDYBLP-UHFFFAOYSA-N,2,1,0.512,31,395,410.401,1.827,5,0.425,0.62,0.319,0.4985436227811665,0.2409019258446988,0.2612655061339182,0.1923017613597423,0.2982532040298814
EOS-2-41758,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(C#N)nc4)n23)cnn1,PAOOKBAUBJIMTQ-UHFFFAOYSA-N,2,1,0.494,92,185,410.401,1.827,5,0.425,0.68,0.984,0.5112226715098348,0.3612757864436982,0.29421389897882255,0.23276334726886436,0.349868926050305
EOS-2-41759,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)nc2)nn1,VTYLAKXUGDUHKF-UHFFFAOYSA-N,2,1,0.506,51,946,410.401,1.827,5,0.425,0.74,1.0,0.5036238091974505,0.5030583921595504,0.23261770954698102,0.2093670755945446,0.36216674662463166
EOS-2-41760,Cc1ncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1C#N,XIBFOYLHOFKZFP-UHFFFAOYSA-N,2,1,0.446,47,320,410.401,2.126,5,0.46,0.67,1.0,0.59990747721198,0.4804074429442807,0.15484716606127064,0.11956856966623261,0.338682663970941
EOS-2-41761,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(C#N)n4)n23)cn1,SYRRKCNSEJPSRT-UHFFFAOYSA-N,2,1,0.436,92,45,410.401,1.827,5,0.425,0.62,1.0,0.38682235624700156,0.3318141319991776,0.14276780206976902,0.11729833458981564,0.24467565622644094
EOS-2-41762,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)cnn1,VKGOGYNFHGGIFS-UHFFFAOYSA-N,2,1,0.512,36,571,410.401,1.827,5,0.425,0.69,1.0,0.6367109862243849,0.4494637105064766,0.21455863203344527,0.21550099376327872,0.37905858063189646
EOS-2-41763,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)cn1,WKMADNFRHKEKHM-UHFFFAOYSA-N,2,1,0.541,92,45,410.401,1.827,5,0.425,0.67,0.99,0.44051127407305873,0.307561167843191,0.20086011925159344,0.15415324515112055,0.2757714515797409
EOS-2-41764,COc1cc(C#N)cc(-c2nnc3cncc(-c4cncc(-c5nnn(C)n5)c4)n23)c1,VMDWLBSYPRAWLS-UHFFFAOYSA-N,2,1,0.333,50,859,410.401,1.924,5,0.436,0.71,1.0,0.1556267562195874,0.13208484682338428,0.2872061544787883,0.2501542046467,0.206267990542115
EOS-2-41765,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(C#N)nc5)n34)cn2)c1,KGEOKHWWRIENFJ-UHFFFAOYSA-N,2,1,0.438,7,823,410.401,1.827,5,0.425,0.68,1.0,0.6397693783839353,0.46700877253101225,0.20793639915016107,0.13940956754163525,0.3635310294016859
EOS-2-41766,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C#N)nc4)n23)c1,NYYAJTHITKAOKQ-UHFFFAOYSA-N,2,1,0.512,36,895,410.401,1.827,5,0.425,0.78,1.0,0.4910818312658488,0.4137824686450552,0.2180625042834624,0.2126653416489617,0.333898036460832
EOS-2-41767,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)cn2)no1,NJTSGSSGQKLKIG-UHFFFAOYSA-N,2,1,0.628,89,731,410.397,2.995,5,0.429,0.7,1.0,0.7031988897265438,0.582550887533411,0.35715509560688097,0.3140120622301419,0.4892292337742444
EOS-2-41768,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cn1,KRJYTBOHMFOOGB-UHFFFAOYSA-N,2,1,0.588,72,889,410.397,2.729,5,0.415,0.67,1.0,0.8788979507915838,0.7709889658008361,0.4384637790418751,0.36189260503049825,0.6125608251661984
EOS-2-41769,c1cnc2c(c1)C(Oc1cncc3nnc(-c4cncc(-c5cncnc5)c4)n13)CO2,BCXJQLNVUHEETB-UHFFFAOYSA-N,2,1,0.396,2,419,410.397,2.551,6,0.441,0.6,1.0,0.46634911932012885,0.4712579672400795,0.4977468987732164,0.4058409293400041,0.4602987286683572
EOS-2-41770,N#Cc1cc(-c2cnco2)ccc1-c1nnc2cncc(OCCc3cccnn3)n12,XVSQVKKBXMZJCB-UHFFFAOYSA-N,2,1,0.478,15,202,410.397,2.729,5,0.415,0.72,1.0,0.5524381468028237,0.503066959084367,0.39460112398053593,0.3682749640189158,0.4545952984716606
EOS-2-41771,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)o1,JZECINCQZHREJW-UHFFFAOYSA-N,2,1,0.5,16,256,410.394,2.428,5,0.455,0.58,1.0,0.5884791995065451,0.43191008155712424,0.2646665752861353,0.23277191419368104,0.37945694263587143
EOS-2-41772,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)cc4)n23)c(F)c1,DDQIAHKVUBXBHH-UHFFFAOYSA-N,2,1,0.403,83,558,410.387,4.67,5,0.404,0.89,1.0,0.3999040504420533,0.6590535261462546,0.9697758892467959,0.9737338085120965,0.7506168185868001
EOS-2-41773,N#Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5F)n34)nc2)c1,DDMZVUNIGSOLDS-UHFFFAOYSA-N,2,1,0.427,96,46,410.387,4.67,5,0.432,0.86,1.0,0.377681447467617,0.6688198204372559,0.9598125556850113,0.9694417791789459,0.7439389006922076
EOS-2-41774,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5F)n34)nc2)cc1,HYPBGCKSRNBUBT-UHFFFAOYSA-N,2,1,0.43,96,680,410.387,4.67,5,0.432,0.84,1.0,0.3776900143924337,0.6932012884654924,0.9624169008292783,0.9709067233225961,0.7510537317524502
EOS-2-41775,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4sccc4F)n23)cc1F,XBUNMOALZCFBHN-UHFFFAOYSA-N,2,1,0.303,39,961,410.384,4.394,5,0.441,0.76,0.999,0.3003820848468234,0.3850147351106847,0.7944280720992393,0.8709735453361661,0.5876996093482284
EOS-2-41776,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5sc(C)nc5-c5ccc(F)cc5)n34)s2)s1,AKLPCZBHAPJVSC-UHFFFAOYSA-N,2,1,0.355,76,126,489.626,7.128,6,0.264,0.71,0.997,0.10162942910013022,0.29250908094030564,0.44905249811527653,0.5264460969090535,0.34240927626619144
EOS-2-41777,N#Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cncnc5)nc4)n23)c(F)c1,KHWGPKBYOVIXDD-UHFFFAOYSA-N,2,1,0.418,13,374,410.372,3.446,5,0.442,0.81,1.0,0.7919950654513056,0.8665701459803988,0.8069529161812076,0.7732163662531698,0.8096836234665205
EOS-2-41778,Cn1cnc(COc2cncc3nnc(-c4cc(F)c(-c5cnco5)cc4F)n23)n1,MKIYTRULWKMWJT-UHFFFAOYSA-N,2,1,0.442,73,446,410.344,2.432,5,0.435,0.61,1.0,0.4639418134466452,0.45820197381947775,0.40537831539990404,0.3997755465698033,0.4318244123089575
EOS-2-41779,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)on1,XRSXJBCOHOWEFF-UHFFFAOYSA-N,2,1,0.487,61,121,410.344,2.843,5,0.435,0.72,1.0,0.3568723870879309,0.3757710232335001,0.5084812555685011,0.5067079021314509,0.4369581420053458
EOS-2-41780,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)o1,NMGGWVVIKMKPFE-UHFFFAOYSA-N,2,1,0.326,50,259,410.344,2.843,5,0.435,0.66,0.774,0.45241929956822696,0.4450003426769927,0.4941659241998492,0.4409396203138921,0.4581312966897403
EOS-2-41781,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(F)cc5F)n34)n(C)n2)o1,LGBKUFWQKDXBER-UHFFFAOYSA-N,2,1,0.477,22,706,410.344,2.954,5,0.445,0.72,1.0,0.4709923925707628,0.5582550887533411,0.2719827290795696,0.2949592214378727,0.39904735796038654
EOS-2-41782,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)no2)nn1,IDQMJALJKYPMNZ-UHFFFAOYSA-N,2,1,0.474,50,121,410.344,2.843,5,0.435,0.73,1.0,0.2732335001028031,0.38502330203550134,0.5789185114111438,0.5532862723596738,0.44761539647728055
EOS-2-41783,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)c(F)c1,PWNAEHSSYPLFCT-UHFFFAOYSA-N,2,1,0.494,13,145,410.319,3.181,5,0.485,0.81,1.0,0.7489377013227332,0.8277105750119937,0.8315828250291275,0.8529144678226304,0.8152863922966211
EOS-2-41784,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)n4)n23)cc1F,CWEAFDZZKYATAI-UHFFFAOYSA-N,2,1,0.489,13,573,410.319,3.181,5,0.454,0.59,1.0,0.7519018573093003,0.6736515660338565,0.7268093345212803,0.7505311493386334,0.7257234768007677
EOS-2-41785,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3c(F)cccc3F)n12,ZXBVEKKZRCFOJD-UHFFFAOYSA-N,2,1,0.463,13,145,410.315,4.051,5,0.441,0.64,1.0,0.8137721883352752,0.8312401480364608,0.8880645603454184,0.887816119525735,0.8552232540607224
EOS-2-41786,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5ncon5)c4)n23)cc1F,RCZSSHKDESZCGD-UHFFFAOYSA-N,2,1,0.649,13,573,410.315,4.051,5,0.441,0.74,1.0,0.9325011993694743,0.8382307586868618,0.9074001096566376,0.9115979028168049,0.8974324926324446
EOS-2-41787,Fc1cc(F)c(Oc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1F,JPYCGZCHDRCKLG-UHFFFAOYSA-N,2,1,0.595,23,240,410.277,5.02,4,0.352,0.77,1.0,0.9909618943184154,0.9873723528202316,0.9997172914810499,0.9997772599547666,0.9944571996436159
EOS-2-41788,Fc1cc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)cc4Cl)n23)ccc1Cl,QCSOHDZRQDMYGV-UHFFFAOYSA-N,2,1,0.58,59,607,489.725,5.655,5,0.319,0.75,1.0,0.6883010074703585,0.8913885271742855,0.9690648344870125,0.9835943389760812,0.8830871770269344
EOS-2-41789,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cnc(Cl)c5)cc4Cl)n23)c(Cl)c1,JBJWCJCOGVQPRL-UHFFFAOYSA-N,2,1,0.517,34,146,489.725,5.655,5,0.319,0.72,1.0,0.7186878897950791,0.7959015831677061,0.9703927078335961,0.9842111575628812,0.8672983345898156
EOS-2-41790,Cn1nc(-c2cccc(Cl)c2)cc1Oc1cncc2nnc(-c3c(Cl)ccc(Cl)c3F)n12,VOYFSMOBVPWMSV-UHFFFAOYSA-N,2,1,0.416,34,146,489.725,6.083,5,0.286,0.67,1.0,0.544642245219656,0.7217205811801796,0.935628126927558,0.964927009800562,0.791729490781989
EOS-2-41791,Cn1nc(-c2ccc(F)c(Cl)c2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,JLROMVAJRSISAF-UHFFFAOYSA-N,2,1,0.5,34,146,489.725,6.083,5,0.306,0.74,1.0,0.6114042903159482,0.8516465629497636,0.9516311424850935,0.9737423754369131,0.8471060927969296
EOS-2-41792,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cc(Cl)cn4)cc3Cl)n12,QVKYRWKVTQOPIF-UHFFFAOYSA-N,2,1,0.535,34,146,489.725,5.655,5,0.319,0.73,1.0,0.5914433554931122,0.8382393256116785,0.962425467754095,0.9812298677266809,0.8433345041463916
EOS-2-41793,N#Cc1ccc(CCOc2cncc3nnc(-c4ccccc4Cl)n23)cc1Cl,BKMBQQIREGXCOU-UHFFFAOYSA-N,2,1,0.809,48,906,410.264,4.591,4,0.481,0.79,1.0,0.9581591391953944,0.9758755397162634,0.9443578233157426,0.9644215612363786,0.9607035158659447
EOS-2-41794,Clc1cc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)cc(-c2cnsc2)n1,XUKWSBHRRROOMQ-UHFFFAOYSA-N,2,1,0.5,59,332,489.775,5.849,5,0.288,0.68,1.0,0.6792971694880405,0.7217291481049962,0.8890925913234186,0.9384123774929751,0.8071328216023576
EOS-2-41795,COc1cc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)c(Cl)c5)s4)n23)ccc1Cl,GQTLNWQCQCFMHO-UHFFFAOYSA-N,2,1,0.351,45,730,489.775,5.946,5,0.311,0.74,1.0,0.3934874237543691,0.5673445959838257,0.8348553903090946,0.9080683297923378,0.6759389349599068
EOS-2-41796,Clc1ccc(-c2nnc3cncc(-c4cncc(-c5nnco5)c4)n23)c(Cl)c1,OMSAVOASQLSEIB-UHFFFAOYSA-N,2,1,0.384,45,859,410.224,4.21,5,0.44,0.74,1.0,0.26002330203550134,0.5118908916455349,0.737081077376465,0.8493163593996299,0.5895779076142829
EOS-2-41797,Clc1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)o4)n23)cc1,DHIDUGWFAXTWFW-UHFFFAOYSA-N,2,1,0.456,22,730,410.224,4.21,5,0.411,0.83,1.0,0.29253478171475567,0.5875968062504283,0.5692207525186759,0.753066959084367,0.5506048248920568
EOS-2-41798,Clc1ccc(-c2noc(-c3cncc4nnc(-c5ccccc5Cl)n34)n2)cn1,LJRWNGBDZRMIJV-UHFFFAOYSA-N,2,1,0.464,96,575,410.224,4.21,5,0.411,0.85,1.0,0.24949455143581659,0.4582105407442944,0.4909704612432321,0.7078935645260778,0.4766422794873552
EOS-2-41799,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccccc5Cl)n34)o2)cn1,OFDVDVKVPQDZNA-UHFFFAOYSA-N,2,1,0.464,22,730,410.224,4.21,5,0.411,0.79,0.998,0.2467788362689329,0.49378897950791584,0.5191213761908026,0.7239822493317799,0.49591786032485785
EOS-2-41800,COc1nnc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)ccc5OC(F)(F)F)n34)nc2)o1,WSXIOBHONSTGOF-UHFFFAOYSA-N,2,1,0.348,22,121,489.801,4.464,5,0.353,0.81,0.971,0.6821927900760743,0.7709975327256527,0.897642382290453,0.8301093139606607,0.7952355047632101
EOS-2-41801,COc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1nnn(C(F)F)n1,LXUTZBUGQGJXMH-UHFFFAOYSA-N,2,1,0.432,13,251,489.805,3.828,5,0.35,0.6,0.998,0.5268059077513536,0.6442413131382358,0.4490610650400932,0.4504060722363101,0.5176285895414982
EOS-2-41802,Fc1ccc(-c2noc(C(F)(F)F)c2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,XGGFYWDFTIZPME-UHFFFAOYSA-N,2,1,0.64,57,798,489.816,5.837,5,0.289,0.76,1.0,0.9621084915358783,0.9542611884038106,0.9842197244876979,0.9770663422657803,0.9694139366732918
EOS-2-41803,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4nncn4C(F)(F)F)cc3)n12,OIRBMBDEQXEPLU-UHFFFAOYSA-N,2,1,0.561,43,520,489.82,4.898,5,0.327,0.68,1.0,0.8484082653690631,0.8985419093962032,0.9856932355561647,0.9763038859570968,0.9272368240696319
EOS-2-41804,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1-c1cnn(C(F)F)c1,VGNKDSCIQHBQKC-UHFFFAOYSA-N,2,1,0.517,73,10,489.82,4.956,5,0.314,0.56,1.0,0.6425707627989857,0.8577890480433144,0.9672657802755124,0.9613803029264615,0.8572514735110685
EOS-2-41805,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cc(OC(F)(F)F)ccc5Cl)n34)c(F)c2)n1,SKAAXLINYVAEIM-UHFFFAOYSA-N,2,1,0.4,45,252,489.82,4.945,5,0.332,0.71,1.0,0.47626961825783015,0.7621478993900349,0.9824549379754643,0.9742306901514632,0.7987757864436982
EOS-2-41806,Fc1cc(Cl)c(C(F)F)c(F)c1-c1nnc2cncc(OCc3ccc(-n4cncn4)cc3)n12,WXOULGNXOJKLHF-UHFFFAOYSA-N,2,1,0.484,59,607,489.82,4.82,5,0.318,0.6,1.0,0.6545044890686039,0.6982215064080598,0.9751045164827633,0.9632393256116785,0.8227674593927763
EOS-2-41807,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5nnco5)n4)n23)ccc1-c1cc[nH]n1,BFEPMCABZOHCNQ-UHFFFAOYSA-N,2,1,0.464,81,712,489.858,3.998,6,0.368,0.59,0.999,0.6822013570008909,0.6834264272496745,0.5119765608937016,0.5567644438352409,0.6085921972448769
EOS-2-41808,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c(Cl)c1,RVHZCZCLYLUYOQ-UHFFFAOYSA-N,2,1,0.443,67,622,489.858,4.222,6,0.35,0.72,1.0,0.6309797135220341,0.6884380782674251,0.5624186142142417,0.5567730107600576,0.6096523541909395
EOS-2-41809,Fc1cc(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)cc5)n4)n23)ccc1-c1nnco1,SWSLUXXWTSMXPM-UHFFFAOYSA-N,2,1,0.457,34,712,489.858,3.794,6,0.343,0.62,1.0,0.4292115002398739,0.5582636556781577,0.4806815845384141,0.5437684188883558,0.5029812898362004
EOS-2-41810,FC(F)(F)c1csc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,JCUGEUFOZQOGQV-UHFFFAOYSA-N,2,1,0.535,27,679,489.87,4.956,5,0.345,0.72,1.0,0.87487149612775,0.9478616955657597,0.8429254334863957,0.789716263450072,0.8638437221574943
EOS-2-41811,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3nnc(-c4cc(Cl)ccn4)s3)n12,SKAKXMGRTBDFNI-UHFFFAOYSA-N,2,1,0.462,34,820,489.87,5.014,5,0.331,0.67,1.0,0.7398224933177986,0.8486481392639298,0.7903245151120554,0.8438763621410459,0.8056678774587074
EOS-2-41812,FC(F)(F)c1ccncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)nn1,BGZJOMQFEPKFCX-UHFFFAOYSA-N,2,1,0.419,54,670,489.87,4.956,5,0.345,0.57,0.947,0.6702162291823727,0.7494431498869166,0.9417791789459256,0.9092334315674045,0.8176679973956549
EOS-2-41813,Fc1cc(F)cc(-c2cc(-c3nnc4cncc(OCc5nnc6ccccn56)n34)ccc2Cl)c1,XEOKSXRGSFKPKL-UHFFFAOYSA-N,2,1,0.506,57,146,489.873,5.012,6,0.338,0.73,1.0,0.7094784456171612,0.9030138441505038,0.84959906791858,0.9069717634158042,0.8422657802755124
EOS-2-41814,Cn1cc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4F)n23)c(-c2ccc(F)c(Cl)c2)n1,QEOBUCIORYZLJI-UHFFFAOYSA-N,2,1,0.326,45,192,489.873,5.445,6,0.327,0.69,1.0,0.2756579398259201,0.4758669727914468,0.9064149133027208,0.9212956617092728,0.6448088719073402
EOS-2-41815,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)c(Cl)c6)nn5)n34)cc2F)n[nH]1,WOTIMTGOTRMXTN-UHFFFAOYSA-N,2,1,0.287,45,783,489.877,4.669,6,0.386,0.63,0.781,0.053697484750873825,0.32730792954561033,0.8258943869508601,0.8676153108080323,0.5186287780138442
EOS-2-41816,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)c1-c1ccc(F)cc1Cl,FGIOFHOQQQWHTL-UHFFFAOYSA-N,2,1,0.318,45,46,489.877,4.576,6,0.389,0.54,1.0,0.2083818792406278,0.40435885134672056,0.7841820300185045,0.8474744705640463,0.5610993077924749
EOS-2-41817,Cc1nnc(-c2cc(-c3nnc4cncc(Oc5cc(-c6nncn6C)nn5C)n34)ccc2Cl)o1,LOIUTOPFCQHZNB-UHFFFAOYSA-N,2,1,0.37,36,292,489.887,3.124,6,0.354,0.63,1.0,0.43340072647522443,0.5923600164484957,0.06805565074360907,0.07897847988486054,0.2931987183880474
EOS-2-41818,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4coc(-c5nnnn5C)c4)n23)c(Cl)c1,WYNRLGUIZRXHFB-UHFFFAOYSA-N,2,1,0.442,36,728,489.887,2.603,6,0.343,0.66,1.0,0.43129326297032416,0.4582191076691111,0.13671955314920156,0.17012199300938935,0.29908847919950654
EOS-2-41819,Cn1cnnc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5nncn5C)c4)n23)o1,ZGOZDNRWKFYSGO-UHFFFAOYSA-N,2,1,0.506,36,765,489.887,2.603,6,0.343,0.63,1.0,0.49855218970598314,0.6688283873620725,0.07456651360427662,0.10143238982934685,0.33584487012541975
EOS-2-41820,O=[N+]([O-])c1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccc(Cl)cc5)c4)n23)cc1,GQYBIQOSMKIGQB-UHFFFAOYSA-N,2,1,0.692,57,497,489.894,5.781,5,0.212,0.8,1.0,0.995767939140566,0.9672572133506956,0.8986361455691865,0.8420259063806456,0.9259218011102734
EOS-2-41821,Clc1cc(-c2nnco2)ncc1COc1cncc2nnc(-c3ccc(-c4nncs4)cc3)n12,BZUBYDOIACPEAD-UHFFFAOYSA-N,2,1,0.506,81,49,489.908,3.987,6,0.338,0.66,1.0,0.6883095743951751,0.629720375573984,0.3382478925364951,0.365019532588582,0.5053243437735591
EOS-2-41822,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cncc(=O)n1C,CNQBLDIYVRJCBM-UHFFFAOYSA-N,2,1,0.47,15,771,489.923,3.231,5,0.32,0.64,1.0,0.5999160441367967,0.49865499280378317,0.4053868823247207,0.3519207045438969,0.46396965595229933
EOS-2-41823,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2OC)cn1,FMDYWNMEVNEQNO-UHFFFAOYSA-N,2,1,0.528,35,103,489.923,3.935,5,0.299,0.62,1.0,0.8316856281269276,0.6834349941744912,0.5357412103351381,0.3780840929340004,0.6072364813926393
EOS-2-41824,COc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c(=O)c5)cc4Cl)n23)ccn1,NSULKSCKLYEZRV-UHFFFAOYSA-N,2,1,0.533,35,470,489.923,3.231,5,0.343,0.72,0.999,0.46395038037146186,0.5118994585703516,0.48415118908916455,0.40584949626482075,0.4664626310739497
EOS-2-41825,COc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cnc(CO)c(C)n4)nc3)n12,MKWLOOWISCYGMM-UHFFFAOYSA-N,2,1,0.434,55,786,489.923,3.685,5,0.365,0.61,0.999,0.6514974984579536,0.7031817558769105,0.4237029675827565,0.3519292714687136,0.5325778733465835
EOS-2-41826,Fc1cncc(Cl)c1COc1cncc2nnc(-c3csc(-c4cc5ccccc5nn4)c3)n12,BLXDPZDMKIYXRJ-UHFFFAOYSA-N,2,1,0.398,59,980,489.923,5.23,6,0.327,0.6,1.0,0.6941265163456926,0.6162617366869988,0.7136933726269619,0.7782280172709204,0.7005774107326435
EOS-2-41827,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccc(=O)n(C)n1,KSIZXTZVKSQNFK-UHFFFAOYSA-N,2,1,0.5,15,777,489.923,3.231,5,0.32,0.7,1.0,0.5824909190596943,0.5301812761291207,0.43460009594955795,0.35491912822973065,0.4755478548420259
EOS-2-41828,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)nc2OC)cn1,VIOMBBYARANKPJ-UHFFFAOYSA-N,2,1,0.576,49,501,489.923,3.935,5,0.32,0.73,1.0,0.715492426838462,0.4937975464327325,0.4053954492495374,0.29496778836268933,0.4774133027208553
EOS-2-41829,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncc(Cl)c6)on5)n34)cc2)sc1F,HOTPQJBOCVPEAM-UHFFFAOYSA-N,2,1,0.301,42,818,489.923,5.733,6,0.312,0.72,1.0,0.2679134397916524,0.3946353916798026,0.610453361661298,0.6477623192378864,0.48019112809265985
EOS-2-41830,Cc1nc(-c2cccc(Cl)c2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)s1,WZDNXHAAPFLTIK-UHFFFAOYSA-N,2,1,0.349,3,923,489.923,5.733,6,0.312,0.67,1.0,0.22188335275169624,0.4228462751010897,0.5692293194434925,0.6883010074703585,0.4755649886916592
EOS-2-41831,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2OC)cn1,AHJLXEOQBMADOB-UHFFFAOYSA-N,2,1,0.434,49,501,489.923,3.935,5,0.32,0.7,0.999,0.6669008292783223,0.5301898430539373,0.4384723459666918,0.31085086697279146,0.48660347131793574
EOS-2-41832,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C6CCCOC6)c5)nc4)n23)cnn1,HBYCRRCIGIPHQK-UHFFFAOYSA-N,2,1,0.371,92,468,489.927,3.424,6,0.353,0.57,1.0,0.260031868960318,0.2151668836954287,0.072441916249743,0.15961037625933794,0.1768127612912069
EOS-2-41833,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4nnnn4-c4ccc(Cl)cc4)n23)s1,GKGMIPGFMFZWRN-UHFFFAOYSA-N,2,1,0.35,3,118,489.927,4.658,6,0.355,0.59,0.991,0.019524021657185937,0.1914279350284422,0.24324926324446577,0.47827427866493044,0.23311887464875608
EOS-2-41834,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ccccc5C#N)c4)n23)c1,RMULDOYDBNKRSU-UHFFFAOYSA-N,2,1,0.326,25,228,489.93,4.841,6,0.348,0.78,1.0,0.2732420670276198,0.45822767459392777,0.7293280104173806,0.8140891645534919,0.568721729148105
EOS-2-41835,CCOc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1ccccc1,ZGCYCYXQOMKWIQ-UHFFFAOYSA-N,2,1,0.646,91,198,489.938,5.666,5,0.28,0.79,0.989,0.8748800630525666,0.8003221163731067,0.8012387773284901,0.784995887876088,0.8153592111575628
EOS-2-41836,Cn1nc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1-c1nc(=O)ss1,YQMKGXGHWHRMLI-UHFFFAOYSA-N,2,1,0.5,95,752,489.945,3.484,5,0.336,0.55,1.0,0.415255979713522,0.3075697347680077,0.14577479268041943,0.25921801110273457,0.2819546295661709
EOS-2-41837,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccncc6)cc5)n34)cc2)cc1,IZNOAEPAEMTGCK-UHFFFAOYSA-N,2,1,0.7,21,492,489.966,6.753,6,0.259,0.81,1.0,0.935782331574258,0.9194452059488726,0.9473305462271263,0.9526163388390103,0.9387936056473167
EOS-2-41838,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)cc5)n34)cc2)nc1,GFZNJMZIDAGPGI-UHFFFAOYSA-N,2,1,0.575,21,47,489.966,6.753,6,0.259,0.84,1.0,0.9581677061202111,0.8885443081351518,0.9216897402508396,0.9295970118566239,0.9244996915907066
EOS-2-41839,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)cc2)nc1,CJVOPPFXRBXPGM-UHFFFAOYSA-N,2,1,0.529,21,47,489.966,6.753,6,0.259,0.77,1.0,0.9533959289973272,0.8804913988074841,0.9083938729353711,0.9213042286340896,0.9158963573435679
EOS-2-41840,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cc5)n34)c2)cc1,VZFYPFVELQQOHE-UHFFFAOYSA-N,2,1,0.6,21,492,489.966,6.753,6,0.259,0.8,1.0,0.8217908299636763,0.8451014323898294,0.9403056678774587,0.9494380097320266,0.8891589849907477
EOS-2-41841,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)c5)n34)c2)nc1,CMZQNMRBEQFVHH-UHFFFAOYSA-N,2,1,0.523,12,47,489.966,6.753,6,0.259,0.76,1.0,0.8341100678500446,0.7837451168528545,0.9121547529298882,0.9253735179220067,0.8638458638886986
EOS-2-41842,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccncc6)c5)n34)cc2)cc1,VRSCNWKSZSYRBW-UHFFFAOYSA-N,2,1,0.653,21,492,489.966,6.753,6,0.259,0.76,1.0,0.9275409499006236,0.9076571174011376,0.9443663902405592,0.9513570008909602,0.93273036460832
EOS-2-41843,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)cn5)n34)cc2)cc1,QZSDZOCLUCUILX-UHFFFAOYSA-N,2,1,0.615,21,47,489.966,6.753,6,0.259,0.8,1.0,0.8162994311561922,0.8913970940991022,0.9169008292783223,0.9316102391885409,0.8890518984305393
EOS-2-41844,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)cc2)cc1,MKUFMPVCVUPRSZ-UHFFFAOYSA-N,2,1,0.608,21,47,489.966,6.753,6,0.259,0.86,1.0,0.9627510108971283,0.9030224110753204,0.9169093962031389,0.9284918785552738,0.9277936741827155
EOS-2-41845,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(Cl)cn6)cc5C)n34)cc2)cn1,VOBSBISUIWATBU-UHFFFAOYSA-N,2,1,0.337,69,645,489.97,6.248,6,0.291,0.75,1.0,0.24950311836063327,0.33182269892399424,0.8366801452950449,0.8140977314783086,0.5580259235144952
EOS-2-41846,CN(C)CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)c1,CTFWLJQVECPLRU-UHFFFAOYSA-N,2,1,0.442,87,304,489.971,3.281,5,0.311,0.63,1.0,0.40628640943047084,0.44500890960180933,0.1614351312452882,0.13941813446645193,0.2880371461860051
EOS-2-41847,Cn1ccnc1-c1ccnc(-c2nnc3cncc(OCCc4cnn(C5CCCC5)c4Cl)n23)c1,MGOHZOCJWRDBEG-UHFFFAOYSA-N,2,1,0.402,31,359,489.971,4.173,6,0.338,0.63,0.996,0.3311116441642108,0.31790144609690907,0.008241381673634432,0.048660132958673157,0.17647865122335685
EOS-2-41848,Clc1cc(-c2cscn2)cnc1Oc1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,HSBYPMYVTBBOIZ-UHFFFAOYSA-N,2,1,0.412,41,120,489.973,5.879,6,0.298,0.77,1.0,0.619791309711466,0.7172914810499623,0.5291618120759373,0.5337879514769378,0.6000081385785759
EOS-2-41849,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)s2)ccc1Cl,RXYJWTGZFHHSLS-UHFFFAOYSA-N,2,1,0.305,30,93,489.988,7.103,6,0.265,0.73,0.991,0.17166403947638956,0.3126756219587417,0.8169933520663423,0.8932132821602358,0.5486365739154273
EOS-2-41850,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1nc(=O)ss1,AXPWIBJSKXWTMI-UHFFFAOYSA-N,2,1,0.484,4,61,489.991,4.639,5,0.321,0.59,1.0,0.6608183126584881,0.6638767048180385,0.287214721403605,0.28015557535467067,0.47301632855870057
EOS-2-41851,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)n(C)n2)s1,BDFOBOVCFJGEIY-UHFFFAOYSA-N,2,1,0.367,50,844,409.866,3.067,5,0.422,0.63,0.882,0.06806421766842574,0.2459564114865328,0.05626756219587417,0.11010211774381468,0.12009757727366184
EOS-2-41852,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)s1,PTBGRMYTSQBNQL-UHFFFAOYSA-N,2,1,0.524,16,55,409.862,3.87,5,0.473,0.65,1.0,0.7217891165787129,0.6638852717428552,0.5119851278185182,0.5401703104653554,0.6094574566513604
EOS-2-41853,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)s1,WTJBPGCRWJQCIW-UHFFFAOYSA-N,2,1,0.524,47,554,409.862,3.87,5,0.473,0.65,1.0,0.7781080803234871,0.7263981221300801,0.48776643136179837,0.5098605304639846,0.6255332910698376
EOS-2-41854,Clc1cc(-c2ncc[nH]2)ccc1-c1nnc2cncc(OCc3ccns3)n12,KCRVDLYKDIRWDM-UHFFFAOYSA-N,2,1,0.494,16,256,409.862,3.87,5,0.473,0.65,1.0,0.6058529230347475,0.6982300733328765,0.4596069494894113,0.5232592008772531,0.571737286683572
EOS-2-41855,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5nc[nH]n5)c4)n23)s1,UEYQLWHTHFUEKZ-UHFFFAOYSA-N,2,1,0.518,47,506,409.862,3.87,5,0.473,0.64,1.0,0.6252998423685834,0.6785518470289905,0.4632735933109451,0.4966503323966829,0.5659439037763005
EOS-2-41856,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)s1,JVIMRWSXTGVSIN-UHFFFAOYSA-N,2,1,0.571,97,22,409.858,4.74,5,0.417,0.75,1.0,0.7949078198889726,0.8200260434514427,0.7035501336440272,0.7109005551367281,0.7573461380302927
EOS-2-41857,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)o4)n23)cn1,KBCANEDXODMNGV-UHFFFAOYSA-N,2,1,0.5,55,390,409.858,4.74,5,0.39,0.69,1.0,0.6608268795833048,0.8239582619422932,0.6847885682955246,0.6941093824960592,0.7159207730792955
EOS-2-41858,Clc1ccccc1-c1nnc2cncc(OCc3ccc(-c4cscn4)o3)n12,IEZXUVDNPSYPCB-UHFFFAOYSA-N,2,1,0.556,24,268,409.858,4.74,5,0.417,0.76,1.0,0.6883181413199918,0.8277191419368104,0.6280498252347337,0.6708244808443561,0.703727897333973
EOS-2-41859,Clc1ccc(-c2nnc3cncc(OCc4csc(-c5ccco5)n4)n23)cc1,AQIKUSAYYABYPK-UHFFFAOYSA-N,2,1,0.603,24,268,409.858,4.74,5,0.417,0.79,1.0,0.7636728120074018,0.8859056952916181,0.4941744911246659,0.569631964909876,0.6783462408333905
EOS-2-41860,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5ccoc5)cs4)n23)cc1,TUTABBHZHRLKQB-UHFFFAOYSA-N,2,1,0.582,4,436,409.858,4.74,5,0.417,0.84,1.0,0.7032074566513604,0.8665787129052156,0.5493283530943732,0.6301230210403673,0.6873093859228292
EOS-2-41861,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5ncco5)c4)n23)s1,ABQCTIPEBGGQLT-UHFFFAOYSA-N,2,1,0.561,1,31,409.858,4.74,5,0.417,0.75,1.0,0.6337296963881845,0.6688369542868892,0.6164930436570488,0.6272873689260503,0.6365867658145432
EOS-2-41862,N#Cc1cc(Cl)cc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)c1,IIXTUFRBBQVXMC-UHFFFAOYSA-N,2,1,0.387,96,50,409.84,4.44,5,0.437,0.77,1.0,0.27325063395243643,0.4365019532588582,0.8880731272702351,0.9135425947501885,0.6278420773079296
EOS-2-41863,N#Cc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,NKLIRMKGWQTRHY-UHFFFAOYSA-N,2,1,0.411,96,680,409.84,4.44,5,0.437,0.82,1.0,0.37067370296758273,0.6297289424988006,0.8914656294976355,0.9160013021725721,0.7019673942841478
EOS-2-41864,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)cc1,GCVJZTLALKCWBS-UHFFFAOYSA-N,2,1,0.382,96,680,409.84,4.44,5,0.437,0.75,1.0,0.2925433486395723,0.4891200054828319,0.844570283051196,0.8932218490850524,0.6298638715646632
EOS-2-41865,N#Cc1cncc(-c2cc(-c3cncc4nnc(-c5cccc(Cl)c5)n34)ccn2)c1,GGMIDFGJYWECRM-UHFFFAOYSA-N,2,1,0.412,96,478,409.84,4.44,5,0.437,0.78,1.0,0.2330203550133644,0.4089250222740045,0.8769018573093003,0.9103728325680214,0.6073050167911727
EOS-2-41866,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccccc5Cl)n34)cn2)cn1,VHHIVELMYMHHTK-UHFFFAOYSA-N,2,1,0.425,96,46,409.84,4.44,5,0.437,0.86,1.0,0.28700911520800493,0.47126653416489617,0.8429340004112124,0.8793691316565005,0.6201446953601535
EOS-2-41867,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3csc(-c4cnccn4)n3)n12,WGIMBOLQOHZEIW-UHFFFAOYSA-N,2,1,0.42,22,140,409.837,4.164,5,0.445,0.65,1.0,0.20839044616544444,0.5393992872318553,0.5459701185662394,0.6883095743951751,0.49551735658967855
EOS-2-41868,CC(=O)OCc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,HQKQBDZXKFCCHC-UHFFFAOYSA-N,2,1,0.568,90,636,409.833,3.482,4,0.45,0.78,1.0,0.7367384003837982,0.6442498800630526,0.5459786854910561,0.43154170379000756,0.5896271674319786
EOS-2-41869,Fc1ccn2c(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)nnc2c1,XIHACBZTUWFEOG-UHFFFAOYSA-N,2,1,0.632,37,400,409.812,3.248,5,0.443,0.76,1.0,0.9378041258309917,0.9553063532314441,0.42371153450757315,0.6364368446302515,0.738314714550065
EOS-2-41870,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)no1,GUERPLSFVGOPFJ-UHFFFAOYSA-N,2,1,0.566,36,728,409.797,2.202,5,0.429,0.81,1.0,0.5524467137276403,0.6688455212117058,0.07668254403399356,0.1541618120759372,0.36303414776231924
EOS-2-41871,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)o1,HBWQSLGRAMUUPR-UHFFFAOYSA-N,2,1,0.556,4,32,409.793,3.37,5,0.43,0.78,1.0,0.7155009937632787,0.8003306832979233,0.19727057775340964,0.2592265780275512,0.4930822082105407
EOS-2-41872,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccccc5Cl)n34)n2)cc1F,QQMAGVDXBXXDQR-UHFFFAOYSA-N,2,1,0.431,45,730,409.787,3.971,5,0.451,0.64,1.0,0.11453121787403193,0.445017476526626,0.8299294085395107,0.910381399492838,0.5749648756082517
EOS-2-41873,Fc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)c(F)c1,GJMMOEKYSRFDGT-UHFFFAOYSA-N,2,1,0.375,45,730,409.787,3.971,5,0.451,0.69,1.0,0.10654684394489754,0.47587553971626345,0.8278990473579604,0.9103899664176547,0.580177849359194
EOS-2-41874,Fc1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)c(F)c5)nn4)n23)cc1,JZTQFRXJGXDXQG-UHFFFAOYSA-N,2,1,0.417,45,730,409.787,3.971,5,0.451,0.8,1.0,0.13888698512781852,0.4804160098690974,0.8869080254951682,0.9401600301555754,0.6115927626619149
EOS-2-41875,Fc1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1Cl,NWDDVLGACAVAMK-UHFFFAOYSA-N,2,1,0.363,45,730,409.787,3.971,5,0.451,0.77,1.0,0.08028065245699403,0.41836577342197245,0.8618497704064149,0.9275495168254403,0.5720114282777053
EOS-2-41876,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1F,LWCAYZCFZCQSSN-UHFFFAOYSA-N,2,1,0.423,45,730,409.787,3.971,5,0.451,0.7,1.0,0.20271914193681037,0.6062812692755808,0.8557586868617642,0.9213127955589062,0.6465179734082653
EOS-2-41877,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)c1,UFUZATYAKNBSPH-UHFFFAOYSA-N,2,1,0.374,45,730,409.787,3.971,5,0.451,0.74,1.0,0.0989479816325132,0.44502604345144264,0.8527945308751971,0.9265214858474402,0.5808225104516482
EOS-2-41878,Fc1cc(F)cc(-n2ncc(-c3cncc4nnc(-c5cccc(Cl)c5)n34)n2)c1,JKVPGFYCXXQIIE-UHFFFAOYSA-N,2,1,0.458,45,730,409.787,3.971,5,0.451,0.73,1.0,0.06260708656020834,0.37577959015831675,0.8114162840106915,0.9034250565417038,0.5383070043177302
EOS-2-41879,Fc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)c1,PPFAPNBHHIEXLQ-UHFFFAOYSA-N,2,1,0.374,45,575,409.787,3.971,5,0.451,0.69,1.0,0.04451374134740593,0.3996127749982866,0.8927506682201357,0.9331265848810911,0.5675009423617299
EOS-2-41880,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1F,JQKUSFHYUSWUMR-UHFFFAOYSA-N,2,1,0.417,45,681,409.787,3.971,5,0.451,0.78,1.0,0.16378246864505516,0.5440511274073059,0.8461637310670962,0.9169693646768556,0.6177416729490782
EOS-2-41881,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)ccc1Cl,RQZKHWUJNQLNOJ-UHFFFAOYSA-N,2,1,0.364,45,102,409.787,4.175,5,0.483,0.68,1.0,0.4039305051058872,0.6111558494962648,0.9243883215680899,0.9487012541977932,0.7220439825920087
EOS-2-41882,Fc1cncc(-c2cn(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cn2)c1,HGLMLHZUSUWUEW-UHFFFAOYSA-N,2,1,0.363,73,575,409.787,3.971,5,0.451,0.75,1.0,0.0780275512302104,0.385031868960318,0.9031252141731204,0.9358594338976081,0.5755110170653142
EOS-2-41883,Fc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)c1,NQPFTZAZWBJLEG-UHFFFAOYSA-N,2,1,0.378,45,730,409.787,3.971,5,0.451,0.68,1.0,0.11147282571448153,0.5213145089438695,0.8152371324789254,0.9034336234665205,0.5878645226509492
EOS-2-41884,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c(F)c1,SZOVTEDOBOYWLX-UHFFFAOYSA-N,2,1,0.429,45,730,409.787,3.971,5,0.451,0.83,1.0,0.19167637584812555,0.5825594544582277,0.8185353985333425,0.9080768967171544,0.6252120313892124
EOS-2-41885,Fc1c(Cl)ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)c1F,MHWQRIHAGLFLLJ-UHFFFAOYSA-N,2,1,0.342,45,680,409.783,5.045,5,0.39,0.8,1.0,0.3615070934137482,0.5582722226029745,0.9588701939551778,0.9694503461037626,0.7120249640189158
EOS-2-41886,Fc1c(Cl)ccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)c1F,XZDGBECHVWXVKN-UHFFFAOYSA-N,2,1,0.37,96,558,409.783,5.045,5,0.39,0.78,1.0,0.4268984305393736,0.6688540881365225,0.959821122609828,0.9649355767253787,0.7551273045027757
EOS-2-41887,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)c(F)c4)n23)cc1Cl,YMIMXVIWUKHYSP-UHFFFAOYSA-N,2,1,0.402,45,102,409.783,5.045,5,0.417,0.83,1.0,0.5316804879720376,0.6932098553903091,0.9710609279692961,0.9809642930573641,0.7942288910972517
EOS-2-41888,Fc1cc(-c2nnco2)cnc1Oc1cncc2nnc(-c3ccccc3Cl)n12,CQRXQWVDYGLNRK-UHFFFAOYSA-N,2,1,0.452,13,706,409.768,3.821,5,0.441,0.84,1.0,0.6640223425399219,0.7217377150298129,0.5789270783359606,0.6391354259475018,0.6509556404632992
EOS-2-41889,Fc1nc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1nnco1,VNFWSGUOOATGTB-UHFFFAOYSA-N,2,1,0.512,13,251,409.768,3.821,5,0.412,0.72,1.0,0.6970906723322596,0.7031903228017271,0.5592060174079913,0.6477708861627031,0.6518144746761703
EOS-2-41890,Fc1cccc(Cl)c1-c1nnc2cncc(Oc3ccc(-c4nnco4)nc3)n12,LVHARFVNHPKKNO-UHFFFAOYSA-N,2,1,0.451,13,251,409.768,3.821,5,0.441,0.66,0.999,0.7519104242341169,0.7538722500171339,0.607514906449181,0.6708330477691727,0.6960326571174011
EOS-2-41891,Fc1cc(Cl)ccc1-c1cc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)no1,BPSRLRDQWPYAHB-UHFFFAOYSA-N,2,1,0.453,73,795,490.257,4.443,5,0.322,0.62,1.0,0.582499485984511,0.5213230758686862,0.6657956959769721,0.7919779316016723,0.6403990473579604
EOS-2-41892,Cn1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(Cl)c(OC(F)F)c5)n34)cn2)n1,HWCKVAQZJKYWLJ-UHFFFAOYSA-N,2,1,0.364,22,649,490.261,3.952,5,0.365,0.69,1.0,0.3977366184634364,0.6638938386676718,0.7633215680899185,0.831985470495511,0.6642343739291344
EOS-2-41893,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4c(Cl)ccc(Cl)c4F)n23)c(F)c1,IUGWAWJSGPLEPJ-UHFFFAOYSA-N,2,1,0.466,73,877,490.261,3.541,5,0.345,0.68,1.0,0.5293674182715372,0.6688626550613391,0.5883849633335618,0.726715098348297,0.6283325337536838
EOS-2-41894,Fc1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)c(F)cc1Cl,WEJSPDAONIYCKG-UHFFFAOYSA-N,2,1,0.532,23,627,409.73,3.975,4,0.29,0.73,1.0,0.9357908984990748,0.9562230141868275,0.9867384003837982,0.9887773284901652,0.9668824103899664
EOS-2-41895,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(F)c(F)c3F)n12,YVTWXJIBMOXEKU-UHFFFAOYSA-N,2,1,0.5,23,627,409.73,3.975,4,0.377,0.69,1.0,0.8641285724076485,0.929982523473374,0.9771348776643136,0.982694811870331,0.9384851963539168
EOS-2-41896,Fc1ccccc1-c1nnc2cncc(-c3cc(Cl)cnc3OC(F)(F)F)n12,YBYOSDDMLWNSQA-UHFFFAOYSA-N,2,1,0.431,23,861,409.73,4.544,4,0.465,0.77,1.0,0.7309728599821808,0.8516551298745803,0.9915530121307655,0.9908248235213488,0.8912514563772188
EOS-2-41897,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(F)c4Cl)n23)nc1F,DBWWTGZPERNXRN-UHFFFAOYSA-N,2,1,0.519,23,627,409.73,3.975,4,0.29,0.7,1.0,0.8217993968884929,0.9316359399629909,0.980141868274964,0.9832430950585977,0.9292050750462614
EOS-2-41898,Cn1nc(-c2cccc(Cl)n2)c(-c2cncc3nnc(-c4ccccc4Cl)n23)c1C(F)(F)F,NPMSTOVYZILMNS-UHFFFAOYSA-N,2,1,0.416,22,315,490.276,5.579,5,0.309,0.61,1.0,0.1556353231444041,0.4183743403467891,0.9356366938523748,0.9466109245425263,0.6140643204715236
EOS-2-41899,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)c(Cl)c6)o5)n34)cc2)o1,KKYPUEIUXFYMRP-UHFFFAOYSA-N,2,1,0.32,3,641,490.31,5.779,6,0.306,0.68,1.0,0.3822647522445343,0.5394078541566719,0.6957799328353095,0.7583270509218011,0.5939448975395791
EOS-2-41900,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)c(Cl)c4)n23)nn1,DFACNGBPEFLVKA-UHFFFAOYSA-N,2,1,0.517,72,208,490.314,4.177,6,0.354,0.72,1.0,0.6425793297238024,0.7751182235624701,0.45961551641422793,0.6065468439448976,0.6209649784113495
EOS-2-41901,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncc(Cl)cc6Cl)c5)n34)cc2)o1,BQVMMUIAIAGAAX-UHFFFAOYSA-N,2,1,0.318,3,150,490.314,4.704,6,0.349,0.76,1.0,0.052104036734973616,0.2255414296484134,0.4307364128572408,0.5337965184017545,0.31054459941059553
EOS-2-41902,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc6ncnn6cc5Cl)n34)cc2)nc1,SHBDCLPHGUMNTI-UHFFFAOYSA-N,2,1,0.436,40,22,490.314,4.177,6,0.354,0.62,1.0,0.6574772119799877,0.6393238982934686,0.44202761976560895,0.6004214927009801,0.5848125556850113
EOS-2-41903,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)c(Cl)c4)n23)c(Cl)c1,MOLQOSOSQIBXRF-UHFFFAOYSA-N,2,1,0.317,3,745,490.314,4.611,6,0.352,0.7,1.0,0.22483037488862997,0.38504043588513465,0.5916232609142622,0.6995750805290932,0.47526728805428003
EOS-2-41904,Clc1ccc(-c2nnc3cncc(OCc4nnc5cncc(-c6ccc(Cl)nc6)n45)n23)cc1,MCDQPIHYMOYSGP-UHFFFAOYSA-N,2,1,0.561,97,232,490.314,4.177,6,0.331,0.64,1.0,0.6484733739976698,0.8486567061887464,0.4909790281680488,0.6883181413199918,0.6691068124186142
EOS-2-41905,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)c(Cl)c6)n5)n34)cc2)o1,AUMUAZWJARBDRV-UHFFFAOYSA-N,2,1,0.314,3,424,490.314,4.704,6,0.349,0.71,1.0,0.11726406689054897,0.3468405181276129,0.48069015146323074,0.5916061270646289,0.3841002158865054
EOS-2-41906,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)cn2)cn1,NLRRRKCCGROZCJ-UHFFFAOYSA-N,2,1,0.506,4,390,490.321,3.993,5,0.352,0.78,1.0,0.6114128572407649,0.6348433966143513,0.5046604071002673,0.3747001576314166,0.5314042046467
EOS-2-41907,COc1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)ccc1-c1cccnn1,QITLEPXKONASQG-UHFFFAOYSA-N,2,1,0.534,72,224,490.321,3.993,5,0.352,0.69,1.0,0.6545130559934206,0.6014837913782468,0.5459872524158728,0.4315502707148242,0.5583835926255911
EOS-2-41908,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)c2)cc1=O,NZFYXHPYDXRAAM-UHFFFAOYSA-N,2,1,0.552,4,470,490.321,3.289,5,0.373,0.7,1.0,0.382273319169351,0.3516808306490302,0.4490696319649099,0.41881982043725585,0.4004609005551367
EOS-2-41909,COc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5Br)nc4)n23)n1,HWKKXELMVJOQES-UHFFFAOYSA-N,2,1,0.444,4,700,490.321,3.993,5,0.352,0.75,1.0,0.6793057364128572,0.6884466451922417,0.4346086628743746,0.37143615927626616,0.543449300938935
EOS-2-41910,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Br)cc5)n34)cn2)cc1,QMGIGRSEWBJKGH-UHFFFAOYSA-N,2,1,0.757,57,461,490.336,5.376,5,0.32,0.83,1.0,0.9871153450757316,0.9849821807963813,0.8757281886094168,0.8822561853197176,0.9325204749503119
EOS-2-41911,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)o2)cc1F,REBBLPVKONOSFP-UHFFFAOYSA-N,2,1,0.527,34,146,490.348,4.439,5,0.309,0.72,1.0,0.9081711328901377,0.9665718593653622,0.9491124665889932,0.9426530052772257,0.9416271160304297
EOS-2-41912,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4c(Cl)csc4Cl)n23)ccc1F,OCBXEUOAUYUTIU-UHFFFAOYSA-N,2,1,0.553,37,125,490.351,4.716,5,0.343,0.69,1.0,0.7278802001233637,0.80033925022274,0.6875813857857583,0.778236584195737,0.7485093550818998
EOS-2-41913,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5nc(Cl)sc5Cl)n34)ccc2F)cn1,CEVKYBMPGQQCQD-UHFFFAOYSA-N,2,1,0.518,37,394,490.351,4.716,5,0.343,0.6,1.0,0.642587896648619,0.7127767116715784,0.5692378863683092,0.6649047357960387,0.6473768076211364
EOS-2-41914,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)ccc1F,RCJXGNFYINUWHN-UHFFFAOYSA-N,2,1,0.553,37,125,490.351,4.716,5,0.343,0.68,0.999,0.7032160235761771,0.8003478171475568,0.7009886231238435,0.7782451511205538,0.7456994037420328
EOS-2-41915,Fc1ccc(-n2nnc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)n2)cc1F,KRGNEBQESFGZJN-UHFFFAOYSA-N,2,1,0.539,34,612,490.352,3.523,5,0.333,0.61,1.0,0.6941350832705092,0.845109999314646,0.9296055787814406,0.9023541909396203,0.8428012130765541
EOS-2-41916,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Br)nc5)n34)cc2)nn1C,LZNIMOVAEBTGTQ-UHFFFAOYSA-N,2,1,0.585,15,889,490.365,4.279,5,0.331,0.7,1.0,0.7002090329655267,0.6932184223151258,0.44907819888972655,0.3549276951545473,0.5493583373312316
EOS-2-41917,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)s5)n34)cc2)c1Cl,ZPGKFXYEYSNJKR-UHFFFAOYSA-N,2,1,0.329,69,479,490.375,7.149,6,0.263,0.71,1.0,0.41294291001302175,0.5348759509286547,0.9252878486738401,0.952624905763827,0.7064329038448358
EOS-2-41918,Clc1ccc(Cl)c(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)n2)c1,HOHSQIYSNBICJZ-UHFFFAOYSA-N,2,1,0.284,30,298,490.379,6.074,6,0.3,0.73,0.949,0.013552875059968474,0.1287780138441505,0.6308426427249675,0.8162651634569255,0.39735967377150294
EOS-2-41919,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)c(F)c6F)o5)n34)nc2)cn1,HAJFDJOOXQZXAI-UHFFFAOYSA-N,2,1,0.279,3,572,490.38,4.522,6,0.202,0.62,1.0,0.34774004523336305,0.46701733945582896,0.8586114728257145,0.8752056061956001,0.6371436159276267
EOS-2-41920,COc1cc(-c2nnc3cncc(OCc4csc(-c5cc(Cl)cs5)n4)n23)ccc1Cl,FJTPZDUTPNCNSH-UHFFFAOYSA-N,2,1,0.511,4,67,490.397,5.871,5,0.296,0.6,1.0,0.7367469673086149,0.7959101500925228,0.6433075183332191,0.679648413405524,0.7139032622849701
EOS-2-41921,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5c(Cl)nsc5Cl)n34)c2)s1,VYQLDFQIPCRCEK-UHFFFAOYSA-N,2,1,0.552,37,628,490.401,5.003,5,0.331,0.59,1.0,0.6484819409224865,0.7793845521211706,0.15202008087177027,0.2860410527037215,0.46648190665478717
EOS-2-41922,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5c(Cl)csc5Cl)n34)ccn2)s1,DYBVJEPQILHLCB-UHFFFAOYSA-N,2,1,0.524,75,241,490.401,5.003,5,0.331,0.63,0.991,0.6763158796518401,0.7311013638544308,0.23262627647179768,0.36502809951339865,0.5012679048728668
EOS-2-41923,N#Cc1cc(-c2ncc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)ccc1F,OIJDAWCMHUDNRR-UHFFFAOYSA-N,2,1,0.619,1,996,490.405,3.834,5,0.335,0.71,1.0,0.9169093962031389,0.9641474196422453,0.8976509492152697,0.872395654855733,0.9127758549790967
EOS-2-41924,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nnn(C(F)F)n5)cc4F)n23)c1,ZILWYQMQAOJQCX-UHFFFAOYSA-N,2,1,0.318,25,866,490.413,2.836,6,0.358,0.63,1.0,0.19168494277294224,0.37578815708313346,0.2467788362689329,0.30116167500514013,0.27885340278253723
EOS-2-41925,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(F)c(C(F)(F)F)c5)n34)s2)cc1,IXCYCNLYESVFFU-UHFFFAOYSA-N,2,1,0.536,34,372,490.417,5.186,5,0.316,0.75,1.0,0.8684805702145157,0.9231718182441231,0.9729542183537797,0.9589729970529779,0.9308949009663492
EOS-2-41926,N#Cc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)ccc2F)n1,XCMALAMADQLBSX-UHFFFAOYSA-N,2,1,0.54,1,138,490.42,5.462,5,0.304,0.76,1.0,0.9883318483996985,0.9753358234528133,0.9950654513055993,0.9898910287163319,0.9871560379686108
EOS-2-41927,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nncn6C)nn5C(F)F)n34)cc2)o1,WSFOIAQLZWICDQ-UHFFFAOYSA-N,2,1,0.368,67,789,490.434,3.934,6,0.341,0.65,1.0,0.5186244945514358,0.5772736618463437,0.3125556850113083,0.23567610170653142,0.4110324857789048
EOS-2-41928,Cc1nc(-c2ncoc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)nc2)no1,JGEWXCKCMYZYCD-UHFFFAOYSA-N,2,1,0.266,70,392,490.447,3.047,7,0.374,0.43,0.998,0.18890925913234186,0.13565725447193475,0.0640034953053252,0.06586251799054212,0.11360813172503598
EOS-2-41929,FC(F)Oc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)o1,YUWDTTGILCXLPF-UHFFFAOYSA-N,2,1,0.375,9,894,490.455,4.628,6,0.329,0.74,1.0,0.4663576862449455,0.5030755260091837,0.6464087451168529,0.6065554108697142,0.5555993420601741
EOS-2-41930,N#Cc1cc(F)cc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)c2)c1,XFBIMEFVWVLYDI-UHFFFAOYSA-N,2,1,0.418,77,177,490.458,4.493,6,0.332,0.66,1.0,0.6484905078473031,0.5348845178534714,0.815245699403742,0.787266122952505,0.6964717120142554
EOS-2-41931,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncc6cccnc6n5)n34)cn2)cnc1F,QXJIVDOOQXAXGH-UHFFFAOYSA-N,2,1,0.396,6,76,490.462,3.219,6,0.32,0.69,1.0,0.8189894455486258,0.8938386676718525,0.36820642862038244,0.3747087245562333,0.6139358165992735
EOS-2-41932,Fc1cncc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c3cccn3n2)c1,ZNEVBUVVQFXWHA-UHFFFAOYSA-N,2,1,0.373,41,722,490.462,4.218,7,0.38,0.59,1.0,0.7547289424988006,0.6736601329586731,0.5561390583236242,0.5532948392844904,0.6344557432663971
EOS-2-41933,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C(F)F)n6)cn5)n34)nc2)cs1,HUNGWFJLKHHKMA-UHFFFAOYSA-N,2,1,0.264,99,652,490.463,3.124,6,0.354,0.63,0.269,0.08932732506339525,0.16226612295250498,0.06806421766842574,0.06761873757795901,0.09681910081557124
EOS-2-41934,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cnn(C2COC2)c1,GUFDHRJAJOIMNM-UHFFFAOYSA-N,2,1,0.605,43,96,490.47,4.092,6,0.34,0.61,1.0,0.7094870125419779,0.62502570077445,0.8185439654581591,0.7454423959975327,0.7246247686930299
EOS-2-41935,CC(OC(F)F)c1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cn1,BOMAHWQGOPVMBI-UHFFFAOYSA-N,2,1,0.5,18,367,490.474,3.96,5,0.303,0.66,0.308,0.7064800219313275,0.6014923583030636,0.6223785210060997,0.4782828455897471,0.6021584367075594
EOS-2-41936,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6nnc(C)s6)cc5F)n34)n(C)n2)o1,MUTRGRURXJWODL-UHFFFAOYSA-N,2,1,0.391,71,424,490.484,3.642,6,0.352,0.6,1.0,0.4613717360016448,0.4758841066410801,0.062101637996024944,0.05248954835172367,0.2629617572476184
EOS-2-41937,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cn1,VXWVCTZERBTHTK-UHFFFAOYSA-N,2,1,0.381,80,621,490.487,3.083,6,0.326,0.68,1.0,0.44295284764580906,0.30757830169282435,0.2360530463984648,0.14404427386745253,0.2826571174011377
EOS-2-41938,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nnc7ccccn67)no5)n34)cc2)nn1C,KVJPPGVQGUWKQL-UHFFFAOYSA-N,2,1,0.389,67,622,490.487,3.99,7,0.352,0.61,1.0,0.4083938729353711,0.24091049276951546,0.1707473785210061,0.15694606264135427,0.24424945171681173
EOS-2-41939,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)c2)cc1=O,ATLFHLDVOQOYPC-UHFFFAOYSA-N,2,1,0.373,6,414,490.487,2.378,6,0.342,0.58,0.872,0.19712494003152628,0.06553697484750874,0.13994928380508534,0.11011068466863135,0.12818047083818793
EOS-2-41940,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)cn2)ccc1=O,NYYPKBHZUMCWHT-UHFFFAOYSA-N,2,1,0.41,6,868,490.487,2.378,6,0.342,0.64,0.688,0.3233842779795765,0.1872472757179083,0.17428551847028992,0.1370793639915016,0.2054991090398191
EOS-2-41941,c1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Oc6ncccn6)cn5)n34)ncn2)nc1,FJPCUXLTDNTQRJ-UHFFFAOYSA-N,2,1,0.436,28,297,490.487,3.242,6,0.311,0.53,0.982,0.4835515043519978,0.17879172092385717,0.14888458638886984,0.10144095675416352,0.22816719210472208
EOS-2-41942,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cn2)cn1,DTILIBILRVCIID-UHFFFAOYSA-N,2,1,0.429,6,984,490.487,3.083,6,0.326,0.69,0.998,0.4429614145706257,0.31268418888355837,0.1903913371256254,0.115045233363032,0.2652705434857104
EOS-2-41943,COc1ncncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnc5)n4)n23)cn1,SFUHVNZLDUEMBY-UHFFFAOYSA-N,2,1,0.386,80,355,490.487,3.083,6,0.326,0.64,1.0,0.40840243986018776,0.2818089918442876,0.2289253649509972,0.14903879103556988,0.26704389692276065
EOS-2-41944,COc1cncc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)nn5)n34)c2)n1,JLDSWIPLEAGWDR-UHFFFAOYSA-N,2,1,0.438,6,277,490.487,3.083,6,0.326,0.62,1.0,0.4292200671646906,0.307586868617641,0.21807107120827907,0.1541703790007539,0.2772620964978411
EOS-2-41945,Cn1nc(-c2ncnn2C)nc1COc1cncc2nnc(-c3ccnc(-c4csc(F)n4)c3)n12,IUSPLIVMIAGLQA-UHFFFAOYSA-N,2,1,0.412,7,486,490.488,1.952,6,0.34,0.63,0.79,0.4358337331231581,0.4628281132204784,0.008669727914467823,0.006956342951134261,0.22857197930230963
EOS-2-41946,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4C)n23)ccc1-c1c(C)oc(=O)n1C,JYQGVDRXEQPOMU-UHFFFAOYSA-N,2,1,0.484,15,458,490.495,3.531,5,0.319,0.51,1.0,0.639777945308752,0.44503461037625935,0.2942224659036392,0.17557912411760673,0.3886535364265643
EOS-2-41947,Fc1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cc2)cc1,DUVYBYZWFZGWKE-UHFFFAOYSA-N,2,1,0.6,17,593,490.498,5.759,6,0.281,0.79,1.0,0.942695839901309,0.8859142622164348,0.8869165924199849,0.8595709684051813,0.8937744157357275
EOS-2-41948,O=c1ccccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)cc4)n23)cc1,FWSFUNBJDQFSLI-UHFFFAOYSA-N,2,1,0.489,12,603,490.498,4.722,6,0.336,0.76,1.0,0.7278887670481804,0.4582362415187444,0.8572750325543143,0.8360204920841615,0.7198551333013501
EOS-2-41949,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)cn2)c1,TZLHFNPFQJODIU-UHFFFAOYSA-N,2,1,0.528,17,410,490.498,5.759,6,0.281,0.79,1.0,0.9588530601055445,0.7793931190459873,0.8512953190322802,0.8141062984031252,0.8509119491467343
EOS-2-41950,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)ccn2)cn1,DAERTXSHGWZTHN-UHFFFAOYSA-N,2,1,0.534,17,410,490.498,5.759,6,0.263,0.77,1.0,0.932509766294291,0.7959187170173394,0.860299157014598,0.8180213830443424,0.8516872558426427
EOS-2-41951,Oc1cc(-c2nnc3cncc(OCc4ccc(F)cc4-c4ccccc4)n23)ccc1-c1ccncn1,PWBLTCQDESEMLP-UHFFFAOYSA-N,2,1,0.474,12,994,490.498,5.339,6,0.337,0.57,0.997,0.9387636214104585,0.8046312795558906,0.8730638749914331,0.8510211774381468,0.8668699883489822
EOS-2-41952,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)nc2)cn1,KPSFFQXWCQGCLA-UHFFFAOYSA-N,2,1,0.477,17,410,490.498,5.759,6,0.263,0.8,1.0,0.8270423548762936,0.6545130559934206,0.8557672537865808,0.8200517442258927,0.7893436022205469
EOS-2-41953,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)cc2)nn1,JDWVQMBJNBFJAY-UHFFFAOYSA-N,2,1,0.578,17,593,490.498,5.759,6,0.281,0.77,1.0,0.9325183332191077,0.8162651634569255,0.8476972106092797,0.8095144267013913,0.851498783496676
EOS-2-41954,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)nc1-c1ccncc1,PCYBBBWVOJBVFY-UHFFFAOYSA-N,2,1,0.551,17,960,490.498,5.759,6,0.281,0.77,1.0,0.8006133918168734,0.7538808169419505,0.8069614831060242,0.7732249331779865,0.7836701562607087
EOS-2-41955,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)c2)nn1,JCUXSPFKRSSMDA-UHFFFAOYSA-N,2,1,0.547,17,593,490.498,5.759,6,0.281,0.79,1.0,0.8189980124734425,0.7264066890548968,0.8398070728531286,0.8052052635186073,0.7976042594750189
EOS-2-41956,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Oc6ccccc6)c5)n34)nc2)cn1,HISBZXZWOFSQJH-UHFFFAOYSA-N,2,1,0.462,17,410,490.498,5.759,6,0.263,0.76,1.0,0.8662617366869988,0.7081077376464944,0.8477057775340964,0.8162737303817422,0.809587245562333
EOS-2-41957,COc1nc(-c2ccccc2)ccc1-c1nnc2cncc(-c3cccnc3Oc3ccc(F)cc3)n12,MATPMJQDYFXVAI-UHFFFAOYSA-N,2,1,0.402,12,93,490.498,5.855,6,0.289,0.71,1.0,0.5548283188266739,0.6015009252278802,0.7035587005688438,0.6562949763552876,0.6290457302446715
EOS-2-41958,Fc1cncc(-c2cncc(-c3nnc4cncc(OCc5cccc(Oc6ccccc6)c5)n34)c2)c1,OBWIGUQVVFCCOE-UHFFFAOYSA-N,2,1,0.489,17,410,490.498,5.759,6,0.281,0.73,1.0,0.8341186347748613,0.7264152559797136,0.8730724419162498,0.8510297443629635,0.821159019258447
EOS-2-41959,Fc1ccncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnc5)nc4)n23)nc1,XLTLWJWPDWRGNL-UHFFFAOYSA-N,2,1,0.467,28,280,490.502,4.466,6,0.323,0.74,1.0,0.8006219587416901,0.7538893838667672,0.6491758618326365,0.6244260160372832,0.7070283051195942
EOS-2-41960,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(-c2ncc(F)cn2)n1,WHZFSVSGFIDRHG-UHFFFAOYSA-N,2,1,0.474,28,120,490.502,4.732,6,0.33,0.78,1.0,0.9142536495099719,0.6932269892399424,0.46680316633541225,0.43768418888355837,0.6279919984922213
EOS-2-41961,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cccnc6)nn5)n34)nc2)cc1,QSTMLULEWSPTCH-UHFFFAOYSA-N,2,1,0.436,41,177,490.502,4.466,6,0.323,0.79,0.998,0.7064885888561442,0.7217462819546295,0.5391851141114385,0.5696405318346927,0.6342651291892263
EOS-2-41962,Fc1c(-c2cccnc2)cncc1-c1nnc2cncc(OCCc3cccnc3-c3ccncc3)n12,BKIWKLBMKCWQHX-UHFFFAOYSA-N,2,1,0.5,41,78,490.502,4.466,6,0.323,0.62,1.0,0.7032245905009937,0.708116304571311,0.6165016105818656,0.6031714755671305,0.6577534953053252
EOS-2-41963,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(-c6cccnc6)nc5)n34)c2)nn1,BBEDDUZGCQKJNV-UHFFFAOYSA-N,2,1,0.521,77,177,490.502,4.466,6,0.323,0.71,1.0,0.8550990336508807,0.7710060996504695,0.6104619285861147,0.572801727092043,0.702342197244877
EOS-2-41964,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(-c6cccnc6)cn5)n34)c2)nn1,MBESLYUUAYDKIL-UHFFFAOYSA-N,2,1,0.543,41,177,490.502,4.466,6,0.323,0.7,1.0,0.8006305256665067,0.7358217394284148,0.6014066890548968,0.5758001507778767,0.6784147762319237
EOS-2-41965,CCOc1cccc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)c1,ISZLKOKSTRDDDW-UHFFFAOYSA-N,2,1,0.327,32,371,490.502,4.91,6,0.324,0.68,1.0,0.42922863408950723,0.5030840929340004,0.4563086834349942,0.43155883763964087,0.4550450620245357
EOS-2-41966,c1ccc(-c2nnc(-n3nnc(-c4cncc5nnc(-c6ccc(-c7ccco7)cc6)n45)n3)s2)cc1,UYTYJSZVEGVLRG-UHFFFAOYSA-N,2,1,0.309,93,465,490.512,4.213,7,0.349,0.53,0.996,0.03433623466520458,0.046389897882256184,0.05442567336029059,0.12189020629154959,0.06426050304982524
EOS-2-41967,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)c5)n34)c2)cc1F,CUJUZRWTLLCTKZ-UHFFFAOYSA-N,2,1,0.588,21,47,490.513,6.983,6,0.253,0.77,1.0,0.9250651086286067,0.9117863751627716,0.9761068466863135,0.9789681995750805,0.9479816325131931
EOS-2-41968,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6ccccc6)c5)n34)cc2)cc1,XKBVKMYWMKSZBT-UHFFFAOYSA-N,2,1,0.676,21,47,490.513,6.983,6,0.253,0.79,1.0,0.9864128572407649,0.9709067233225961,0.9768521691453635,0.9802618052223974,0.9786083887327804
EOS-2-41969,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(-c6ccccc6)c5)c4)n23)cc1F,RMQHTZYTZVGASJ-UHFFFAOYSA-N,2,1,0.623,21,47,490.513,6.983,6,0.253,0.79,1.0,0.9725687067370297,0.9649698444246453,0.9761154136111302,0.9792851757932972,0.9732347851415256
EOS-2-41970,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(S(C)(=O)=O)nc5)n34)cc2F)cn1,YXSUZAKKFCAFAY-UHFFFAOYSA-N,2,1,0.638,1,214,490.52,3.678,5,0.354,0.71,1.0,0.5574412308957577,0.6111644164210814,0.4841597560139812,0.4315674045644575,0.5210832019738194
EOS-2-41971,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(C#N)cc5)n34)nc2)cs1,HHSCZCBHIHEPSW-UHFFFAOYSA-N,2,1,0.452,14,357,409.478,4.081,5,0.444,0.77,1.0,0.24678740319374956,0.2871204852306216,0.5357497772599548,0.5098690973888013,0.39488169076828183
EOS-2-41972,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Oc6ccccc6)cc5)n34)cc2)o1,YPRLKVQNKDTFPK-UHFFFAOYSA-N,2,1,0.63,17,593,490.523,5.564,6,0.273,0.77,1.0,0.727897333972997,0.4986635597285998,0.5728188609416763,0.4904478788294154,0.5724569083681722
EOS-2-41973,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cn1,ZHEMZOYUKSCBBR-UHFFFAOYSA-N,2,1,0.583,17,960,490.523,5.829,6,0.276,0.76,0.993,0.5036323761222672,0.25591974504831744,0.5357583441847714,0.44094818723870877,0.4340646631485162
EOS-2-41974,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)c(F)c5)n34)s2)s1,DKHQZGZOKRPMJX-UHFFFAOYSA-N,2,1,0.283,39,176,490.524,5.082,6,0.34,0.68,0.611,0.27566650675073673,0.34684908505242956,0.3163165650058255,0.4284661777808238,0.3418245836474539
EOS-2-41975,CCn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)c(OC)c4)n23)nc1,XBJAMHNHKGYSRE-UHFFFAOYSA-N,2,1,0.375,12,285,490.527,4.933,6,0.31,0.63,1.0,0.3430196696593791,0.18725584264272496,0.40175450620245357,0.3230073332876431,0.31375933794805017
EOS-2-41976,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Oc6ccccc6)n5)n34)cn2)n1,JHYZGLDAZWWJQX-UHFFFAOYSA-N,2,1,0.455,28,363,490.527,4.396,6,0.309,0.71,0.992,0.4524278664930437,0.30759543554245766,0.3200003426769927,0.2501627715715167,0.33254660407100267
EOS-2-41977,OCCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)cc1,LPJJRSBRADXBKG-UHFFFAOYSA-N,2,1,0.505,12,285,490.527,3.683,6,0.343,0.69,1.0,0.39774518538825304,0.15841957370982113,0.3682149955451991,0.3714447262010829,0.32395612021108905
EOS-2-41978,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Oc5ccccc5)c4)n23)cc1,OZRVZXWWMJAWNI-UHFFFAOYSA-N,2,1,0.642,17,960,490.527,4.396,6,0.309,0.8,1.0,0.5600455760400247,0.43651052018367487,0.39460969090535264,0.3840466726064012,0.4438031149338633
EOS-2-41979,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)nn5C)n34)cc2)cn1,HVXCRWORDPWSMX-UHFFFAOYSA-N,2,1,0.448,12,285,490.527,4.236,6,0.327,0.74,1.0,0.42220375573983965,0.3565725447193475,0.25411212391200055,0.20356726749366047,0.30911392296621204
EOS-2-41980,Fc1ccc2nc(-n3cc(-c4cncc5nnc(-c6ccc(-c7ccccc7)cc6)n45)nn3)sc2c1,PFGXDPCJQUDERP-UHFFFAOYSA-N,2,1,0.343,93,991,490.527,5.455,7,0.326,0.69,0.97,0.028287985744637104,0.2664056610239188,0.5012764717976835,0.6506836406003701,0.3616634397916524
EOS-2-41981,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(OCc5ccccc5)cc4)n23)cc1,BJCGGPYBQCIWKB-UHFFFAOYSA-N,2,1,0.689,77,960,490.527,4.14,6,0.314,0.83,1.0,0.4959821122609828,0.3179100130217257,0.49775546569803303,0.4441350832705092,0.4389456685628127
EOS-2-41982,COc1cc(-c2nnc3cncc(OCc4ccccc4-c4cccnn4)n23)ccc1-c1cnn(C)c1,XMVWGLQWUWSFSU-UHFFFAOYSA-N,2,1,0.448,77,755,490.527,4.236,6,0.327,0.68,1.0,0.44511171269960936,0.25592831197313415,0.5980056199026798,0.45041463916112673,0.4373650709341375
EOS-2-41983,OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cn5)n34)cc2)cn1,WGIRKBQMWRLWQO-UHFFFAOYSA-N,2,1,0.523,41,25,490.527,3.683,6,0.343,0.61,1.0,0.29255191556438903,0.19604550750462613,0.5046689740250839,0.43483996984442463,0.3570265917346309
EOS-2-41984,COc1ccc(-c2c(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c(=O)n(C)n2C)cn1,CSJAPHYQMJTGIZ-UHFFFAOYSA-N,2,1,0.284,30,301,490.527,3.628,6,0.363,0.65,0.967,0.08680008224247825,0.061416284010691526,0.2043382907271606,0.20937564251936125,0.1404825748749229
EOS-2-41985,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)ccc1-c1nncn1C,XWQKONHFFFCUIY-UHFFFAOYSA-N,2,1,0.516,12,285,490.527,4.236,6,0.327,0.68,1.0,0.3311202110890275,0.14303337673908573,0.44555719279007605,0.35193783839353027,0.3179121547529299
EOS-2-41986,COc1ncccc1-c1ncccc1COc1cncc2nnc(-c3ccc(-c4cc(C)[nH]n4)cc3)n12,WUWAATRPVGWJDR-UHFFFAOYSA-N,2,1,0.424,77,427,490.527,4.534,6,0.347,0.59,1.0,0.445120279624426,0.3318312658488109,0.43461722979919126,0.2920121993009389,0.3758952436433418
EOS-2-41987,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc6ccccc6n5)n34)ccn2)cn1,ISCBLZKTEAQEPL-UHFFFAOYSA-N,2,1,0.437,28,891,490.527,3.959,6,0.313,0.71,0.997,0.541986498526489,0.3179185799465424,0.28722328832842164,0.2533239668288671,0.35011308340758
EOS-2-41988,COc1cc(-c2c(COc3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cnn2C)ccn1,BXPHNMXWMOMKCI-UHFFFAOYSA-N,2,1,0.398,28,177,490.527,4.236,6,0.327,0.65,1.0,0.21364197107806182,0.11837776711671578,0.4017630731272702,0.3108594338976081,0.261160561304914
EOS-2-41989,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)s4)n23)cn1,HHFJHLUVLXTAAN-UHFFFAOYSA-N,2,1,0.5,55,390,409.471,4.694,5,0.394,0.76,1.0,0.6367195531492016,0.7127852785963951,0.6338839010348846,0.627295935850867,0.6526711671578371
EOS-2-41990,Fc1ccccc1-c1nnc2cncc(OCc3nc(-c4cccs4)cs3)n12,JORSGGGNRRPYPP-UHFFFAOYSA-N,2,1,0.556,24,268,409.471,4.694,5,0.421,0.72,1.0,0.6140943047083819,0.7494517168117333,0.4159927352477555,0.4814183400726475,0.5652392742101295
EOS-2-41991,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5cnn(C6(C)COC6)c5-c5ccccc5)n34)c2)n1,WMNIAQNETCNWBS-UHFFFAOYSA-N,2,1,0.308,25,791,490.531,3.258,7,0.362,0.54,1.0,0.09421903913371256,0.1217274347200329,0.04078712905215544,0.08767390857377835,0.08610187786991982
EOS-2-41992,CCc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)cn1,ZTJAQEMVSQQTAZ-UHFFFAOYSA-N,2,1,0.479,6,843,490.531,3.674,6,0.33,0.72,1.0,0.2302532382975807,0.15062367212665342,0.14889315331368652,0.09334521280241245,0.15577881913508326
EOS-2-41993,COc1cc(-c2nnc(C)n2C)ncc1-c1cncc2nnc(-c3ccc(-c4cnc(C)cn4)cc3)n12,SMSOHRHHYAHVNR-UHFFFAOYSA-N,2,1,0.326,98,725,490.531,3.731,6,0.356,0.55,0.997,0.1336183263655678,0.04996230553080666,0.13672812007401822,0.09145192241792886,0.10294016859708038
EOS-2-41994,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)ccn2)c(C)n1,VRIHUKJZWYXOQT-UHFFFAOYSA-N,2,1,0.443,6,597,490.531,3.809,6,0.329,0.66,1.0,0.20002056061956,0.13944383524090193,0.18385477349050786,0.12421184291686656,0.1618827530669591
EOS-2-41995,CC(C)n1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnccn5)n4)n23)cn1,QSEMXHGPUAXOBL-UHFFFAOYSA-N,2,1,0.414,80,277,490.531,4.062,6,0.326,0.66,1.0,0.2925604824892057,0.1747138647111233,0.31632513193064216,0.1865533548077582,0.24253820848468233
EOS-2-41996,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)s1,ZTGBVDKCDHWYBE-UHFFFAOYSA-N,2,1,0.432,31,395,409.46,2.444,5,0.431,0.57,0.682,0.3285587005688438,0.17880028784867383,0.012182167089301624,0.009663491193201288,0.13230116167500514
EOS-2-41997,CCn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(OCc6ccccc6F)c5)n34)cc2)cn1,KFORJPCVFPWBPQ-UHFFFAOYSA-N,2,1,0.355,12,107,490.542,6.06,6,0.272,0.69,1.0,0.40196011239805357,0.48439106298403123,0.8730810088410664,0.8401411829209787,0.6498933417860325
EOS-2-41998,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccc(F)cc6)cc5)n34)cc2)cn1,RFVMPOFQMQVJKE-UHFFFAOYSA-N,2,1,0.74,12,492,490.542,5.619,6,0.291,0.79,1.0,0.8900692207525187,0.8859228291412514,0.8891011582482352,0.8627921321362484,0.8819713350695634
EOS-2-41999,c1ccc(NCCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1,QXRGVJQYRVRSGP-UHFFFAOYSA-N,2,1,0.531,11,529,409.453,3.739,5,0.41,0.82,1.0,0.3934959906791858,0.04639846480707285,0.38731067096155164,0.3390703173188952,0.29156886094167633
EOS-2-42000,Cn1ccc(-c2ccc(-c3nnc4cncc(OC5Cc6ccccc6C5)n34)cn2)n1,HQKPLKLMIHVOAF-UHFFFAOYSA-N,2,1,0.455,89,440,409.453,3.133,6,0.454,0.71,1.0,0.41982215064080597,0.3076040024672744,0.45962408333904464,0.4348485367692413,0.4054746933040916
EOS-2-42001,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cn1,FKFBYTFTEVSLPX-UHFFFAOYSA-N,2,1,0.532,19,54,409.453,3.573,5,0.423,0.83,0.995,0.7338513467205812,0.4365190871084915,0.2942310328284559,0.2801641422794874,0.436191402234254
EOS-2-42002,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,XWESZGINMSDZIR-UHFFFAOYSA-N,2,1,0.582,35,393,409.453,3.573,5,0.423,0.79,1.0,0.6608354465081214,0.48439962990884794,0.42720683983277363,0.34863957233911314,0.4802703721472141
EOS-2-42003,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cn1,UKAGYOGGHMCOTB-UHFFFAOYSA-N,2,1,0.535,11,796,409.453,3.573,5,0.423,0.85,1.0,0.5368377767116715,0.38056850113083407,0.3456668494277294,0.28604961962853814,0.3872806867246933
EOS-2-42004,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)ncn1,CABFIPLODKTSRE-UHFFFAOYSA-N,2,1,0.575,15,393,409.453,3.573,5,0.423,0.82,1.0,0.679314303337674,0.4272925090809403,0.4632821602357618,0.37809265985881707,0.4869954081282983
EOS-2-42005,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)n1,RNIGDYDKADLXMD-UHFFFAOYSA-N,2,1,0.64,84,56,409.453,3.573,5,0.423,0.72,1.0,0.7489462682475498,0.5533291069837571,0.3271708587485436,0.28905661023918855,0.47962571105475976
EOS-2-42006,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2)nn1,TUMFCQPTSXLAMR-UHFFFAOYSA-N,2,1,0.577,72,889,409.453,3.573,5,0.423,0.77,1.0,0.8190065793982592,0.6590620930710712,0.4017716400520869,0.33907888424371185,0.5547297991912823
EOS-2-42007,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(C)n5)n34)cn2)cn1,CVHKQHPCHJWACK-UHFFFAOYSA-N,2,1,0.494,4,464,409.453,3.839,5,0.435,0.8,1.0,0.46636625316976216,0.389983551504352,0.41600130217257214,0.2920207662257556,0.39109296826811046
EOS-2-42008,c1ccc(CCCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)nc1,WYOINGYBKSVIGD-UHFFFAOYSA-N,2,1,0.506,75,796,409.453,3.655,5,0.379,0.83,1.0,0.5944246453293126,0.5030926598588171,0.2574617915153177,0.2624220409841683,0.4043502844219039
EOS-2-42009,Cc1ccc(CCOc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)cn1,VJLDYKDCTQEHQX-UHFFFAOYSA-N,2,1,0.531,11,747,409.453,3.573,5,0.423,0.74,1.0,0.6253084092934,0.4539013775615105,0.2796501267904873,0.2356846686313481,0.3986361455691865
EOS-2-42010,CC1(n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)cn2)COC1,PHNVFNMBOLXGKZ-UHFFFAOYSA-N,2,1,0.293,82,336,409.453,3.462,6,0.452,0.59,1.0,0.09663491193201289,0.12541977931601672,0.3456754163525461,0.39978411349461995,0.24187855527379892
EOS-2-42011,CCc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccccn5)n4)n23)cc1,NWJKKVCFFFZXTN-UHFFFAOYSA-N,2,1,0.54,89,770,409.453,3.785,5,0.421,0.72,1.0,0.5769309848536769,0.4986721266534165,0.312564251936125,0.23876019464053183,0.40673188952093753
EOS-2-42012,Cc1ccc(-c2ccncc2-c2nnc3cncc(OCCc4cccnc4)n23)nc1,ZNRVQJHNVNBVQS-UHFFFAOYSA-N,2,1,0.557,35,234,409.453,3.573,5,0.423,0.72,1.0,0.547092385717223,0.327316496470427,0.39832773627578644,0.342248646425879,0.4037463162223288
EOS-2-42013,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)nc1,KFKJUEMAJNDOOR-UHFFFAOYSA-N,2,1,0.718,79,824,409.449,4.18,5,0.453,0.77,1.0,0.8748886299773834,0.6688712219861559,0.6631742169830718,0.6157220204235487,0.7056640223425399
EOS-2-42014,OCc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5)n34)cc2)n1,SKPRRLBHZADJBF-UHFFFAOYSA-N,2,1,0.603,79,347,409.449,3.925,5,0.457,0.79,1.0,0.7279059008978137,0.4844081968336646,0.7035672674936605,0.6477794530875197,0.6409152045781646
EOS-2-42015,Oc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1ccncc1,XDGBGWCOXOJVKS-UHFFFAOYSA-N,2,1,0.754,79,824,409.449,4.18,5,0.453,0.75,1.0,0.6608440134329381,0.48441676375848125,0.7111232951819615,0.6708416146939894,0.6318064217668425
EOS-2-42016,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)c4)n23)cc1,ABUDPSKGZQEOCJ-UHFFFAOYSA-N,2,1,0.593,1,230,409.449,3.925,5,0.457,0.75,1.0,0.8341272016996779,0.48912857240764857,0.8398156397779453,0.7872746898773216,0.7375865259406483
EOS-2-42017,Cc1cccc(COc2cncc3nnc(-c4cccc(Oc5ccccc5)c4)n23)n1,SLLSDDOJAUQMNB-UHFFFAOYSA-N,2,1,0.553,79,881,409.449,4.866,5,0.398,0.83,1.0,0.46138030292646154,0.3468576519772463,0.6403347954218354,0.5631725035981084,0.5029363134809128
EOS-2-42018,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)cc1,OQDGQXLSFHTSRY-UHFFFAOYSA-N,2,1,0.628,1,230,409.449,3.925,5,0.457,0.85,1.0,0.8551076005756973,0.5165255979713522,0.8114248509355082,0.7429237201014324,0.7314954423959975
EOS-2-42019,Cn1nc(-c2ccc(C#N)cc2)cc1-c1nnc2cncc(OCc3ccccc3-c3cscn3)n12,RYHCCYQAQFFIOZ-UHFFFAOYSA-N,2,1,0.411,77,177,490.552,4.766,6,0.331,0.71,0.999,0.4152645466383387,0.312692755808375,0.5821139743677609,0.5631810705229251,0.4683130868343499
EOS-2-42020,FC(F)Cn1cc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cn1,DTZNNWFNVYHQEI-UHFFFAOYSA-N,2,1,0.311,96,121,409.425,4.043,5,0.438,0.71,1.0,0.14442121855938592,0.1960540744294428,0.6930899184428757,0.6767442258926736,0.42757735933109453
EOS-2-42021,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(C#N)c5)n34)cn2)cn1,NWDHCBBCVZZYRX-UHFFFAOYSA-N,2,1,0.46,92,468,409.413,2.432,5,0.434,0.7,1.0,0.47100095949557946,0.36128435336851483,0.5012850387225002,0.40585806318963746,0.43485710369405794
EOS-2-42022,CCn1cnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(C#N)cc4)n23)n1,ODWHIVSWBORFKS-UHFFFAOYSA-N,2,1,0.443,89,250,409.413,3.129,5,0.434,0.71,1.0,0.6253169762182167,0.49380611335754915,0.23982249331779865,0.2415615790555822,0.40012679048728667
EOS-2-42023,CCn1cncc1-c1ccnc(-c2nnc3cncc(Oc4ccc(C#N)cn4)n23)c1,QJIAQJSFXNXDSJ-UHFFFAOYSA-N,2,1,0.337,18,211,409.413,3.129,5,0.434,0.71,1.0,0.35452504968816395,0.16227468987732163,0.3836354602152012,0.30117024192995684,0.3004013604276609
EOS-2-42024,Cn1cnnc1-c1cncc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)c1,NWLLOQBQQDIZSS-UHFFFAOYSA-N,2,1,0.549,89,895,409.413,2.432,5,0.434,0.72,1.0,0.6970992392570763,0.43191864848194095,0.4272154067575903,0.3908059762867521,0.48675981769583987
EOS-2-42025,N#Cc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,HASKIKCZPLYHNU-UHFFFAOYSA-N,2,1,0.623,91,499,409.413,2.465,5,0.452,0.74,1.0,0.8918340072647523,0.7922777739702557,0.45631725035981086,0.43157597148927423,0.6430012507710233
EOS-2-42026,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(C#N)nc4)n23)cn1,XLWRSZWNAHPGTI-UHFFFAOYSA-N,2,1,0.536,55,879,409.413,2.432,5,0.434,0.65,1.0,0.6029915701459804,0.41379103556987185,0.3418888355835789,0.2592351449523679,0.4044766465629498
EOS-2-42027,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)cn4)n23)cc1,KAHNRKVMQQTMTO-UHFFFAOYSA-N,2,1,0.549,36,734,409.413,2.432,5,0.434,0.76,1.0,0.4934977040641491,0.3996213419231033,0.3798403125214173,0.3294153930505106,0.4005936878897951
EOS-2-42028,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)n2)cn1,QEONLJBOMVTWIG-UHFFFAOYSA-N,2,1,0.518,92,399,409.413,2.432,5,0.434,0.72,1.0,0.48613871564663147,0.4844253306832979,0.4384809128915085,0.37471729148105,0.445940562675622
EOS-2-42029,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5cccc(C#N)n5)n34)c2)cn1,UOBRTQHZMVQQRS-UHFFFAOYSA-N,2,1,0.413,92,544,409.413,2.432,5,0.434,0.68,1.0,0.2870176821328216,0.17472243163593995,0.3873192378863683,0.294976355287506,0.286008926735659
EOS-2-42030,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4C#N)n23)cc1,TWHNXHUPWBZWSU-UHFFFAOYSA-N,2,1,0.584,43,402,409.413,2.432,5,0.434,0.76,1.0,0.6282040298814338,0.47589267356589676,0.3608474402028648,0.3619011719553149,0.45671132890137756
EOS-2-42031,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(C#N)n5)n34)cn2)cn1,NCOXSHFVRCHKCV-UHFFFAOYSA-N,2,1,0.446,92,860,409.413,2.432,5,0.434,0.69,1.0,0.38003735179220066,0.3757967240079501,0.38364402714001783,0.2890651771640052,0.35713582002604344
EOS-2-42032,COc1cc(C#N)cc(-c2nnc3cncc(-c4ncc(-c5cnn(C)c5)cn4)n23)c1,MXHFXOAYCXLKSB-UHFFFAOYSA-N,2,1,0.338,50,918,409.413,2.529,5,0.444,0.71,1.0,0.15564389006922075,0.11227811664724831,0.4770149407168803,0.37145329312589953,0.27909756013981224
EOS-2-42033,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)n2)nn1,ZYHMXXXKXCYJEL-UHFFFAOYSA-N,2,1,0.518,89,926,409.413,2.432,5,0.434,0.71,1.0,0.44752758549790966,0.4670259063806456,0.34189740250839556,0.31402062915495854,0.39261788088547733
EOS-2-42034,Cn1cncc1-c1cncc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)n1,NYALAHXHWIXTQH-UHFFFAOYSA-N,2,1,0.518,7,408,409.413,2.432,5,0.434,0.74,1.0,0.6253255431430333,0.46703447330546227,0.4017802069769036,0.3519464053183469,0.4615216571859366
EOS-2-42035,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)cn2)n1,DNPKSVRPIFGGBX-UHFFFAOYSA-N,2,1,0.573,55,283,409.413,2.432,5,0.434,0.65,1.0,0.5241844287574532,0.38504900280995136,0.3946182578301693,0.29498492221232264,0.3997091529024741
EOS-2-42036,Cn1cc(-c2nccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)n2)cn1,ZGMFPBVZOBFLSK-UHFFFAOYSA-N,2,1,0.518,89,731,409.413,2.432,5,0.434,0.73,1.0,0.5186330614762524,0.5165341648961689,0.36085600712768146,0.30768967171544104,0.42592822630388594
EOS-2-42037,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C#N)nc5)n34)c2)cn1,KIVUJCAEUUENDI-UHFFFAOYSA-N,2,1,0.506,92,36,409.413,2.432,5,0.434,0.74,1.0,0.47627818518264686,0.3708793091631828,0.5291703790007539,0.4156500582550888,0.4479944829004181
EOS-2-42038,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncs4)n23)c(F)c1,HHKQWPCEHOWFIH-UHFFFAOYSA-N,2,1,0.518,36,728,409.41,2.156,5,0.434,0.71,1.0,0.5241929956822698,0.5258635460215201,0.12499143307518333,0.15166027002947022,0.3316770612021109
EOS-2-42039,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,YEKHOLJIYCSVBO-UHFFFAOYSA-N,2,1,0.708,91,309,409.409,3.334,5,0.419,0.76,1.0,0.9534044959221438,0.9137310670961551,0.6464173120416695,0.5853180042491947,0.7747177198272908
EOS-2-42040,Cc1ncoc1-c1ccc(COc2cncc3nnc(-c4ccc(C#N)nc4)n23)cc1,AMSUTFRBVFBWOZ-UHFFFAOYSA-N,2,1,0.531,89,205,409.409,3.6,5,0.432,0.75,1.0,0.5944332122541293,0.4759012404907135,0.6133404153245151,0.4904564457542321,0.5435328284558976
EOS-2-42041,COc1cc(C#N)ccc1-c1nnc2cncc(-c3ccc(-c4noc(C)n4)cc3)n12,XJLSHCPOPPGXIM-UHFFFAOYSA-N,2,1,0.358,61,697,409.409,3.697,5,0.441,0.8,1.0,0.40393907203070384,0.26110273456240146,0.5527294222465904,0.4537557398396272,0.4178817421698307
EOS-2-42042,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,GIRCKTIEGJJSMG-UHFFFAOYSA-N,2,1,0.671,91,309,409.409,3.334,5,0.419,0.79,1.0,0.9588616270303612,0.8859313960660681,0.6280583921595504,0.5758087177026935,0.7621650332396683
EOS-2-42043,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)cc5)n34)cc2)s1,DHZBJBYMPKQKAK-UHFFFAOYSA-N,2,1,0.694,21,47,490.592,5.907,6,0.277,0.74,1.0,0.82435234048386,0.7404650126790487,0.5493369200191899,0.540178877390172,0.6635832876430677
EOS-2-42044,Fc1cc(-c2nnc3cncc(OCCc4cncs4)n23)ccc1-c1nnco1,HBGQIHGSSBRUNT-UHFFFAOYSA-N,2,1,0.585,37,619,409.406,3.058,5,0.421,0.66,1.0,0.8218079638133096,0.7127938455212117,0.2942395997532726,0.3011788088547735,0.5325050544856418
EOS-2-42045,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ncccc5F)n34)c(F)c2)s1,LLXZZDPDPNTLNC-UHFFFAOYSA-N,2,1,0.308,45,46,409.396,4.999,5,0.421,0.78,1.0,0.31087656774724143,0.49381468028236586,0.912163319854705,0.940168597080392,0.6642557912411761
EOS-2-42046,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccns5)cc4F)n23)cc1F,QBDHYQSWZLNMIO-UHFFFAOYSA-N,2,1,0.398,45,102,409.396,4.999,5,0.421,0.73,1.0,0.4129514769378384,0.634851963539168,0.9638561441984785,0.972945651428963,0.7461513090261119
EOS-2-42047,c1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6nn[nH]n6)nc5)n34)cc2)o1,BSEUSDBTMVCABB-UHFFFAOYSA-N,2,1,0.282,42,106,409.373,2.083,6,0.458,0.69,1.0,0.1916935096977589,0.15063223905147008,0.09522993626207936,0.12834966760331712,0.14147633815365634
EOS-2-42048,c1cc(-c2nnon2)cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,QMKIEVMGVAZTNS-UHFFFAOYSA-N,2,1,0.338,9,340,409.369,2.953,6,0.428,0.71,1.0,0.18324652182852444,0.07986087314097731,0.26847885682955247,0.2920293331505723,0.20590389623740663
EOS-2-42049,c1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6conn6)nc5)n34)cc2)o1,ZRYRYCYUDWZICG-UHFFFAOYSA-N,2,1,0.299,9,340,409.369,2.953,6,0.428,0.67,1.0,0.19170207662257557,0.11838633404153245,0.25747035844013433,0.2712802412446028,0.20970975258721128
EOS-2-42050,c1ccc(-c2nc(-c3nnc4cncc(-c5nnc(-c6cccnc6)o5)n34)no2)cc1,YZAWXRWCKQJSFV-UHFFFAOYSA-N,2,1,0.28,30,342,409.369,2.953,6,0.428,0.76,0.901,0.08933589198821192,0.016996778836268933,0.03934788568295525,0.06940922486464259,0.05377244534301967
EOS-2-42051,c1cncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)o2)c1,YHYNRVUXAPFGFY-UHFFFAOYSA-N,2,1,0.306,38,63,409.369,2.953,6,0.428,0.76,1.0,0.1610581865533548,0.12173600164484956,0.15202864779658692,0.17299191282297308,0.15195368720444108
EOS-2-42052,Cn1nc(-c2nc[nH]n2)cc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,GNIQBOFKOXABBB-UHFFFAOYSA-N,2,1,0.523,36,29,409.36,2.167,5,0.473,0.59,1.0,0.4686022205469125,0.587605373175245,0.32000890960180933,0.354936262079364,0.4327881913508327
EOS-2-42053,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(F)cc4F)n23)n(C)n1,NTMKIJKKUOEAJO-UHFFFAOYSA-N,2,1,0.488,36,292,409.36,2.391,5,0.449,0.74,1.0,0.42690699746419025,0.5772822287711603,0.26127407305873485,0.3045627441573573,0.3925065108628607
EOS-2-42054,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nnc5ccccn45)n23)cc1,HZPJOCJCJSXBFU-UHFFFAOYSA-N,2,1,0.636,36,996,409.356,3.014,5,0.426,0.79,1.0,0.6883267082448085,0.717300047974779,0.637096497841135,0.6391439928723186,0.6704668117332602
EOS-2-42055,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2C)o1,DHGCQRHQHOWIFM-UHFFFAOYSA-N,2,1,0.407,95,956,409.356,3.559,5,0.448,0.79,1.0,0.3661589335891988,0.35658111164416423,0.5156260708656021,0.49046501267904874,0.4322077821945035
EOS-2-42056,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5conn5)nc4)n23)cc1,UBDGMMQQOMJUKW-UHFFFAOYSA-N,2,1,0.352,96,121,409.331,3.922,5,0.446,0.75,1.0,0.3477486121581797,0.38999211842916864,0.9634192310328284,0.9307278459324241,0.6579719518881503
EOS-2-42057,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)cc1F,JVYLWQQGJCLYAC-UHFFFAOYSA-N,2,1,0.608,13,573,409.331,3.786,5,0.486,0.67,1.0,0.9262816119525735,0.8451185662394627,0.9064234802275375,0.9080854636419711,0.8964772805153862
EOS-2-42058,Fc1cnc(-c2nnc3cncc(OCc4cnc5cc(F)ccc5n4)n23)c(F)c1,CFRAVBRUXFOYMJ-UHFFFAOYSA-N,2,1,0.429,73,128,409.331,3.126,5,0.45,0.69,1.0,0.6640309094647385,0.6834435610993078,0.640343362346652,0.7187992598176959,0.6766542731820986
EOS-2-42059,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5occc5F)n34)cc2)c(F)n1,JVSZDPPTENIADV-UHFFFAOYSA-N,2,1,0.419,13,284,409.327,4.656,5,0.402,0.79,1.0,0.6337382633130012,0.5077016654101844,0.9235487629360565,0.9169779316016723,0.7454916558152286
EOS-2-42060,COc1nc(-c2nnc3cncc(OCc4noc(O)n4)n23)ccc1-c1ncon1,UIGJIWLKPCLYKW-UHFFFAOYSA-N,2,1,0.358,7,896,409.322,0.912,5,0.419,0.52,0.65,0.31088513467205814,0.11228668357206498,0.009526420396134603,0.0022274004523336302,0.10873140977314782
EOS-2-42061,Cc1nnc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(F)cn5)n34)nn2)o1,UNUFSHYRBISVHJ-UHFFFAOYSA-N,2,1,0.333,53,706,409.316,2.405,5,0.436,0.63,0.999,0.6114214241655815,0.46283668014529505,0.12244705640463299,0.14904735796038654,0.336438129668974
EOS-2-42062,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5nnco5)nn4)n23)cc1F,YHTPLITXSOHECG-UHFFFAOYSA-N,2,1,0.524,36,391,409.316,1.883,5,0.424,0.63,1.0,0.7636813789322184,0.7358303063532314,0.22893393187581385,0.30118737577959015,0.5074082482352135
EOS-2-42063,Cn1nnc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)nc5Cl)n34)cc2Cl)n1,DBQDFIPXJRVTLZ-UHFFFAOYSA-N,2,1,0.43,36,404,490.702,2.706,5,0.338,0.56,0.999,0.3868309231718182,0.5673531629086424,0.07457508052909327,0.22997052977863067,0.31468242409704617
EOS-2-42064,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4Cl)on3)n12,ROOFTIIYAZXHRN-UHFFFAOYSA-N,2,1,0.465,34,146,490.709,6.125,5,0.295,0.75,1.0,0.7338599136453978,0.6442584469878693,0.9598296895346446,0.9829432526900144,0.8302228257144815
EOS-2-42066,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)c(Cl)c5)n4)n23)c(Cl)c1,YSWRIMFENNGORF-UHFFFAOYSA-N,2,1,0.494,34,612,490.713,5.05,5,0.343,0.7,1.0,0.4710095264203961,0.6884552121170585,0.8795319032280172,0.9433811938866424,0.7455944589130286
EOS-2-42067,Clc1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)cc1,GADDRVLCHIORLJ-UHFFFAOYSA-N,2,1,0.423,22,990,409.24,3.741,5,0.451,0.81,1.0,0.13889555205263518,0.4891371393324652,0.39462682475498595,0.6967822630388596,0.4298604447947365
EOS-2-42068,Clc1cccc(-n2ncc(-c3cncc4nnc(-c5ccccc5Cl)n34)n2)n1,RZXHJCISBZNYRM-UHFFFAOYSA-N,2,1,0.438,22,730,409.24,3.741,5,0.422,0.64,1.0,0.02581214447262011,0.23055308066616406,0.40178877390172024,0.6477880200123364,0.3264855047632102
EOS-2-42069,Clc1ccc(-c2nnc3cncc(-c4cc(Cl)cc(-c5nn[nH]n5)c4)n23)cc1,JDVPOTFKWPJVBX-UHFFFAOYSA-N,2,1,0.423,22,46,409.24,3.945,5,0.485,0.86,1.0,0.3031063669385238,0.530198409978754,0.7395740524981153,0.8752141731204167,0.6120232506339525
EOS-2-42070,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)c(Cl)c5)ns4)n23)cn1,HDEINEUIMBHHSC-UHFFFAOYSA-N,2,1,0.506,73,401,490.763,5.244,5,0.311,0.71,1.0,0.6141028716331985,0.8610187786991982,0.6165101775066822,0.7965955040778562,0.7220568329792338
EOS-2-42071,Clc1ccc(-c2nnc3cncc(OCc4nncc(-c5ccc(Cl)s5)n4)n23)c(Cl)c1,WNQSQGUVSGRUOC-UHFFFAOYSA-N,2,1,0.5,34,446,490.763,5.244,5,0.332,0.69,1.0,0.6669093962031389,0.9030309780001371,0.6194743334932493,0.8095229936262079,0.7497344253306834
EOS-2-42072,Clc1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)o4)n23)cc1,MHDPJPMENCUXDO-UHFFFAOYSA-N,2,1,0.448,45,574,409.236,4.815,5,0.425,0.89,1.0,0.2732592008772531,0.6348605304639846,0.7060602426153109,0.869405798094716,0.6208964430128161
EOS-2-42073,Clc1ccc(-c2nnc3cncc(-c4cccc(-c5nnco5)c4)n23)c(Cl)c1,HFUIXGCMVWANMJ-UHFFFAOYSA-N,2,1,0.4,45,46,409.236,4.815,5,0.425,0.77,1.0,0.30039065177164004,0.5923685833733123,0.8348639572339113,0.9092419984922212,0.6592162977177712
EOS-2-42074,Clc1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5Cl)o4)n23)cc1,MBROVYOBEZNFQR-UHFFFAOYSA-N,2,1,0.455,45,730,409.236,4.815,5,0.425,0.89,1.0,0.3383335617846618,0.6736686998834899,0.6847971352203414,0.862800699061065,0.6399000239873895
EOS-2-42075,Clc1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)c5)no4)n23)cc1,AJSKLQPKXCQCGV-UHFFFAOYSA-N,2,1,0.478,45,837,409.236,4.815,5,0.425,0.87,1.0,0.3003992186964567,0.567361729833459,0.684805702145158,0.859579535329998,0.6030365465012679
EOS-2-42076,Clc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,FRHBLTDYZYRCMU-UHFFFAOYSA-N,2,1,0.508,45,533,409.236,4.815,5,0.425,0.85,1.0,0.34302823658419573,0.6062898362003976,0.7060688095401275,0.8694143650195326,0.6312003118360634
EOS-2-42077,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c(Cl)c1,ZKGZTZWBUNZPIO-UHFFFAOYSA-N,2,1,0.402,96,558,409.236,4.815,5,0.425,0.8,1.0,0.3160852580357755,0.6162703036118155,0.8445788499760126,0.9126087999451716,0.6723858028921937
EOS-2-42078,Fc1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5C(F)(F)F)n34)n2)o1,MVKGGFJDGNRCQE-UHFFFAOYSA-N,2,1,0.468,27,679,490.804,5.232,5,0.311,0.67,1.0,0.9313103968199575,0.9542697553286272,0.981898087862381,0.9626996093482284,0.9575444623397986
EOS-2-42079,Fc1cc(-c2nnc3cncc(OCc4noc(-c5cccc(Cl)c5)n4)n23)ccc1C(F)(F)F,PEPLRIWKUPABHY-UHFFFAOYSA-N,2,1,0.495,34,679,490.804,5.232,5,0.311,0.73,1.0,0.8769532588582003,0.8451271331642793,0.9757556027688301,0.9653896237406621,0.915806404632993
EOS-2-42080,Fc1cc(-c2cnn(OC(F)F)c2)ccc1Oc1cncc2nnc(-c3c(F)cccc3Cl)n12,FOGQIYVFHJLWPH-UHFFFAOYSA-N,2,1,0.461,13,145,490.804,5.03,5,0.311,0.72,1.0,0.7309814269069974,0.8804999657323007,0.9806301829895141,0.979936262079364,0.893011959427044
EOS-2-42081,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(-c4noc(C(F)(F)F)n4)cc3)n12,WGVGRPWVAIUZIK-UHFFFAOYSA-N,2,1,0.568,34,671,490.804,5.232,5,0.311,0.77,1.0,0.8684891371393325,0.9005979713522034,0.9598382564594613,0.9296055787814406,0.9146327359331095
EOS-2-42082,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C(F)(F)F)n2)nc1,MEGALNNNFNTKAF-UHFFFAOYSA-N,2,1,0.542,34,679,490.808,4.293,5,0.339,0.76,1.0,0.8059420190528408,0.9117949420875883,0.8170019189911589,0.8117246933040916,0.8366158933589198
EOS-2-42083,Fc1c(C(F)(F)F)ncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1Cl,YPFUYBJLNSIKPH-UHFFFAOYSA-N,2,1,0.494,47,164,490.808,4.362,5,0.365,0.64,1.0,0.9313189637447742,0.8830614762524844,0.9613717360016448,0.9180744979782057,0.9234566684942772
EOS-2-42084,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(F)cc1Cl,WCJATTZPECDGEJ-UHFFFAOYSA-N,2,1,0.494,73,255,409.183,3.745,4,0.478,0.7,1.0,0.8595881022548146,0.9390977314783086,0.8822304845452676,0.9265300527722569,0.901861592762662
EOS-2-42085,Cn1nnnc1-c1ccc(-c2ccc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)nn2)o1,JSPXKPIDECSMHV-UHFFFAOYSA-N,2,1,0.394,22,706,490.846,3.617,6,0.352,0.55,0.843,0.5061082173942841,0.6062984031252142,0.2505054485641834,0.3454098416832294,0.4270804776917278
EOS-2-42086,N#CCn1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc(-c2cncc(F)c2)c1=O,OONDMYQRNZKBRK-UHFFFAOYSA-N,2,1,0.382,53,208,490.846,2.095,5,0.346,0.62,1.0,0.3430368035090124,0.2559368788979508,0.21147453909944486,0.32942395997532725,0.2849680453704338
EOS-2-42087,Fc1ccc2c(c1)OC(c1cc(Cl)ccc1-c1nnc3cncc(OCc4ncccn4)n13)CO2,PNRHTYPYICQPHF-UHFFFAOYSA-N,2,1,0.442,97,210,490.882,4.465,6,0.356,0.54,0.995,0.8936159276266191,0.9250651086286067,0.8689089164553492,0.8401497498457954,0.8819349256390926
EOS-2-42088,Fc1nc(-c2nnc3cncc(OCCc4ccc5c(c4)OCO5)n23)ccc1-c1ccc(Cl)nc1,RVSLCKNBDBGYIV-UHFFFAOYSA-N,2,1,0.5,11,384,490.882,4.391,6,0.323,0.74,1.0,0.9550921801110274,0.779401685970804,0.8030806661640737,0.7608285929682681,0.8246007813035432
EOS-2-42089,Clc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCc3ccc(-c4nncs4)nn3)n12,YINRLBNWVNFEJY-UHFFFAOYSA-N,2,1,0.477,71,117,490.896,3.382,6,0.339,0.61,1.0,0.5769395517784935,0.6545216229182372,0.1520372147214036,0.20357583441847715,0.39676855595915284
EOS-2-42090,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnc(Cl)s6)nn5)n34)cc2)no1,LQLVEFBTNNRJBG-UHFFFAOYSA-N,2,1,0.391,67,622,490.896,3.904,6,0.347,0.64,1.0,0.6367281200740182,0.6162788705366322,0.06807278459324241,0.08063189637447742,0.3504279178945926
EOS-2-42091,Clc1nc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)cs1,FMBAAGQPKIUCGM-UHFFFAOYSA-N,2,1,0.376,6,584,490.9,2.512,6,0.365,0.54,0.998,0.4613888698512782,0.5258721129463367,0.039356452607771916,0.055256665067507364,0.2704685251182235
EOS-2-42092,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5OC)c(O)c4)n23)c1,SUFFBZAPLLPMHR-UHFFFAOYSA-N,2,1,0.479,1,61,490.907,4.204,5,0.335,0.58,1.0,0.6397865122335686,0.6639024055924885,0.6520629154958536,0.4692618737577959,0.6062534267699267
EOS-2-42093,COc1nc(OC)nc(-c2cccc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)c2)n1,VNNGUAUMWIGSAP-UHFFFAOYSA-N,2,1,0.547,15,921,490.911,3.33,5,0.32,0.64,1.0,0.6515060653827702,0.4938232472071825,0.19039990405044205,0.1347148927421013,0.36761102734562406
EOS-2-42094,O=c1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)cnn1CCO,RUHBFTPZRAVPSA-UHFFFAOYSA-N,2,1,0.47,75,304,490.911,2.072,5,0.347,0.61,0.999,0.4358423000479748,0.3367658145432116,0.17429408539510657,0.2269035706942636,0.2934514426701391
EOS-2-42095,Clc1cncc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)nn2C2CCOC2)n1,RXHKHTVPQXFCAB-UHFFFAOYSA-N,2,1,0.333,31,569,490.915,2.471,6,0.335,0.54,0.953,0.21119183058049482,0.07986944006579398,0.007804468507984374,0.02522102666027003,0.0810216914536358
EOS-2-42096,CCOc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccc(Cl)cc1,VVZUDPSLRAYZGD-UHFFFAOYSA-N,2,1,0.517,11,384,490.926,5.061,5,0.281,0.74,1.0,0.8918425741895689,0.8486652731135631,0.6957884997601261,0.6736686998834899,0.777491261736687
EOS-2-42097,COCc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)n1,LNJOGEGCZUHIEZ-UHFFFAOYSA-N,2,1,0.568,91,660,490.926,4.809,5,0.308,0.65,1.0,0.7186964567198958,0.7621564663148516,0.7519703927078336,0.7293451442670139,0.7405421150023987
EOS-2-42098,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1cccc(C)n1,MJGYPNUEMCEYQW-UHFFFAOYSA-N,2,1,0.573,49,703,490.926,4.979,5,0.318,0.6,0.999,0.8437649921184291,0.7494602837365499,0.6984699472277431,0.6273045027756836,0.7297499314646014
EOS-2-42099,CCc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2OC)cc1F,MKNAVIOBWRYYLA-UHFFFAOYSA-N,2,1,0.478,16,591,490.926,5.191,5,0.31,0.67,1.0,0.9036049619628538,0.7959272839421562,0.842942567336029,0.7608371598930848,0.8258279932835308
EOS-2-42100,Cc1cc(N(C)C)nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cn2)n1,YXMQPXBWJBDPND-UHFFFAOYSA-N,2,1,0.595,59,294,490.93,4.389,5,0.346,0.66,1.0,0.5213659104927695,0.6063069700500309,0.5119936947433349,0.3966400520869029,0.5090766568432595
EOS-2-42101,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4sncc4-c4cnco4)n23)ccc1Cl,FMKWGRJITGPTCG-UHFFFAOYSA-N,2,1,0.489,2,247,490.936,4.536,6,0.335,0.59,1.0,0.563052566650675,0.6206565691179494,0.4668117332602289,0.47829141251456375,0.5322030703858542
EOS-2-42102,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1-c1ocnc1-c1ccccn1,HXXGRGCDLNAQPC-UHFFFAOYSA-N,2,1,0.462,6,826,490.936,4.536,6,0.335,0.54,0.97,0.36151566033856486,0.40436741827153727,0.20086868617641013,0.2472585840586663,0.30350258721129464
EOS-2-42103,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(-c6ccccc6)cn5)n4)n23)cc1,DAZARPSVYHYNOF-UHFFFAOYSA-N,2,1,0.529,12,47,490.954,6.148,6,0.279,0.83,1.0,0.7429237201014324,0.9332208210540744,0.8050767596463574,0.8340243986018778,0.8288114248509355
EOS-2-42104,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cc4)n23)c(OCc2ccccc2)c1,HRJBIGSWZUXMNP-UHFFFAOYSA-N,2,1,0.396,12,220,490.954,6.148,6,0.279,0.72,1.0,0.5393478856829552,0.6442670139126859,0.8461722979919128,0.852923034747447,0.7206775580837503
EOS-2-42105,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)cc2)nc1,JGUOLDYVUZJVOX-UHFFFAOYSA-N,2,1,0.523,12,47,490.954,6.148,6,0.279,0.77,1.0,0.7574446576656844,0.8083321910766911,0.8012473442533068,0.8200603111507093,0.7967711260365979
EOS-2-42106,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)c2)nn1,DGCLKAJUJZGRJM-UHFFFAOYSA-N,2,1,0.5,12,808,490.954,6.148,6,0.279,0.82,1.0,0.7459221437872661,0.7922863408950723,0.834872524158728,0.8579603865396477,0.8077603488451786
EOS-2-42107,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cc5)n34)cc2)nc1,LRYALSWCNXGXIY-UHFFFAOYSA-N,2,1,0.582,12,427,490.954,6.148,6,0.279,0.79,1.0,0.9367760948529916,0.8638886985127818,0.8689174833801658,0.8694229319443493,0.8847513021725721
EOS-2-42108,Clc1ccc(-c2ccccc2-c2nnc3cncc(OCc4ccnc(-c5ccccc5)n4)n23)cc1,FTLPSKYKJXEVDT-UHFFFAOYSA-N,2,1,0.523,12,47,490.954,6.148,6,0.279,0.75,1.0,0.6367366869988349,0.8083407580015077,0.7584898224933178,0.8072698923994243,0.7527092899732712
EOS-2-42109,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)c2)cc1,FVDLNXVMGVLFKA-UHFFFAOYSA-N,2,1,0.552,12,994,490.954,6.148,6,0.279,0.77,1.0,0.772256870673703,0.8486738400383799,0.8891097251730519,0.9034421903913371,0.8533706565691179
EOS-2-42110,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)cc2)cc1,YXQBOHMBWVDVGD-UHFFFAOYSA-N,2,1,0.583,12,492,490.954,6.148,6,0.279,0.74,1.0,0.7248646425878966,0.869585703515866,0.8542851757932972,0.8694314988691659,0.8295417551915565
EOS-2-42111,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cc2)cc1,NOEHKGXXYDRPBQ-UHFFFAOYSA-N,2,1,0.598,12,492,490.954,6.148,6,0.279,0.8,1.0,0.9156757590295388,0.9268041943663903,0.895140840243986,0.906980330340621,0.9111502809951341
EOS-2-42112,Clc1ccccc1-c1nnc2cncc(OCc3ccc(-c4ccc(-c5ccccc5)nc4)cn3)n12,FJEXXZNFBPNANI-UHFFFAOYSA-N,2,1,0.536,12,47,490.954,6.148,6,0.279,0.73,1.0,0.5344476046878213,0.7358388732780481,0.8299379754643273,0.8510383112877802,0.7378156911794942
EOS-2-42113,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cc5)n34)cc2)cn1,SMXXIIKWIPJFFA-UHFFFAOYSA-N,2,1,0.564,12,492,490.954,6.148,6,0.261,0.84,1.0,0.9002295935850867,0.8546878212596807,0.9112723596737715,0.9080940305667877,0.8935709512713317
EOS-2-42114,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5ccccc5)n34)cn2)cc1,STWIXTXWANEZJX-UHFFFAOYSA-N,2,1,0.517,12,427,490.954,6.148,6,0.279,0.76,1.0,0.8059505859776575,0.8610273456240148,0.8133095743951751,0.8420344733054622,0.8305804948255775
EOS-2-42115,Clc1ccc(-c2cncnc2)cc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,UWDOINOFDGHYIQ-UHFFFAOYSA-N,2,1,0.53,12,492,490.954,6.148,6,0.279,0.78,1.0,0.9237886368309232,0.8963145089438695,0.9139709409910218,0.9213213624837229,0.9138488623123844
EOS-2-42116,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)c5)n34)cc2)nn1,ASOQYIXJLRVIHB-UHFFFAOYSA-N,2,1,0.554,21,47,490.954,6.148,6,0.279,0.8,1.0,0.8900777876773354,0.8723528202316496,0.857283599479131,0.8724042217805497,0.8730296072921664
EOS-2-42117,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cn4)n23)cc1-c1ccccc1,ZHTMJCJWOOZXHC-UHFFFAOYSA-N,2,1,0.588,12,285,490.954,6.148,6,0.279,0.74,1.0,0.7064971557809608,0.9030395449249538,0.8429511342608458,0.8612672195188815,0.8284387636214104
EOS-2-42118,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)cc2)cn1,HPBNENLBWIHACN-UHFFFAOYSA-N,2,1,0.489,12,47,490.954,6.148,6,0.261,0.79,1.0,0.7094955794667946,0.8003563840723734,0.8315913919539442,0.8438849290658625,0.7963320711397437
EOS-2-42119,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)cc2)cn1,LNUSVPSZSPSGLJ-UHFFFAOYSA-N,2,1,0.535,12,47,490.954,6.148,6,0.261,0.84,1.0,0.8971369337262696,0.8046398464807073,0.8703224590500994,0.8724127887053663,0.8611280069906107
EOS-2-42120,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cn5)n34)cc2)cc1,ADVKAAPBPSAGQC-UHFFFAOYSA-N,2,1,0.658,12,492,490.954,6.148,6,0.279,0.78,1.0,0.7636899458570352,0.8723613871564663,0.8880816941950518,0.8973254060722363,0.8553646083201973
EOS-2-42121,COc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c1Cl,XQUXSVBAMHAWIM-UHFFFAOYSA-N,2,1,0.326,30,93,490.954,6.244,6,0.284,0.82,1.0,0.33834212870947844,0.3565896785689809,0.8572921664039477,0.8560071276814475,0.6020577753409636
EOS-2-42122,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccnc5-c5ccccc5)n34)c2)cn1,ZNZKKMPSFXZQHN-UHFFFAOYSA-N,2,1,0.462,12,808,490.954,6.148,6,0.261,0.73,1.0,0.7489548351723665,0.7264238229045302,0.8348810910835447,0.8493249263244466,0.789896168871222
EOS-2-42123,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccnn1C(C)C,VPECHJQFSYKPDN-UHFFFAOYSA-N,2,1,0.422,49,501,490.955,4.309,5,0.317,0.59,0.397,0.4107412103351381,0.34686621890206293,0.22515591803166335,0.1394267013912686,0.28054751216503326
EOS-2-42124,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nccn1C(C)C,RWFRUMWUHDIPSX-UHFFFAOYSA-N,2,1,0.417,49,551,490.955,4.309,5,0.296,0.67,1.0,0.48112706462888083,0.32732506339524364,0.30875197039270785,0.18656192173257488,0.3259415050373518
EOS-2-42125,CC(C)(C)N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)o1,WTOPTKFGZMTCOV-UHFFFAOYSA-N,2,1,0.576,84,73,490.955,4.144,5,0.379,0.46,0.982,0.5036409430470838,0.4405798094715921,0.29424816667808923,0.19231032828455896,0.35769481187033103
EOS-2-42126,O=S(=O)(c1ccccc1)c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,LOOHCLMODVBBPC-UHFFFAOYSA-N,2,1,0.853,79,824,490.972,4.899,5,0.322,0.79,1.0,0.955100747035844,0.9852306216160647,0.7991056130491399,0.8560156946062641,0.8988631690768282
EOS-2-42127,O=S(=O)(c1ccccc1)c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,ZWARCCQOFWVRFF-UHFFFAOYSA-N,2,1,0.806,79,824,490.972,4.899,5,0.322,0.81,1.0,0.9211328901377561,0.9376242204098417,0.7881313823589884,0.8510468782125968,0.8744838427797959
EOS-2-42128,Fc1cnc(-c2ccc(Cl)cn2)c(-c2nnc3cncc(-c4ccc(-c5cccs5)s4)n23)c1,YNULDSQPBBHWSJ-UHFFFAOYSA-N,2,1,0.312,76,368,490.976,6.498,6,0.282,0.57,1.0,0.29800047974778976,0.49383181413199917,0.6712956617092728,0.7850044548009046,0.5620331025974916
EOS-2-42129,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cc2)ccc1Cl,DHFSNKFBDCKGFP-UHFFFAOYSA-N,2,1,0.347,3,74,490.976,6.498,6,0.282,0.73,1.0,0.23592454252621478,0.4628452470701117,0.8586200397505311,0.9092505654170379,0.6166600986909738
EOS-2-42130,Cc1snnc1-c1ccc(-c2cncc3nnc(-c4ccn(C)n4)n23)c(Cl)c1,QNKHAPSCGSQZJI-UHFFFAOYSA-N,2,1,0.288,50,844,408.878,3.672,5,0.452,0.73,1.0,0.02478411349461997,0.13945240216571858,0.1972791446782263,0.2981375505448564,0.1649133027208553
EOS-2-42131,Cc1nn(C)cc1-c1cnc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)s1,SBBWRRWXJSAFGA-UHFFFAOYSA-N,2,1,0.309,50,844,408.878,3.672,5,0.452,0.61,1.0,0.05211260365979028,0.16228325680213831,0.1335155232677678,0.20044033993557672,0.1370879309163183
EOS-2-42132,Cc1noc(-c2ccc(-c3cncc4nnc(-c5c(C)cccc5Cl)n34)s2)n1,CZDDYPZMDSXGTA-UHFFFAOYSA-N,2,1,0.356,50,140,408.874,4.84,5,0.424,0.7,1.0,0.25715338222191764,0.40893358919882117,0.28351380988280445,0.3840552395312179,0.33341400520869025
EOS-2-42133,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cc1,GXRXIHVLZWRCIX-UHFFFAOYSA-N,2,1,0.465,83,3,408.852,5.045,5,0.417,0.85,1.0,0.33112877801384416,0.6932355561647591,0.9342916866561579,0.9571910766911109,0.728961774381468
EOS-2-42134,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)cc1,NQZWRTNPGVUJBZ-UHFFFAOYSA-N,2,1,0.486,83,3,408.852,5.045,5,0.417,0.85,1.0,0.3360376259337948,0.596994722774313,0.9343002535809746,0.9566085258035776,0.705985282023165
EOS-2-42135,Fc1cccc(-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)c1Cl,HOCFWHZCYKESLU-UHFFFAOYSA-N,2,1,0.356,96,140,408.849,4.769,5,0.43,0.78,1.0,0.24679597011856624,0.4539099444863272,0.7541720923857173,0.8319940374203276,0.5717180111027346
EOS-2-42136,Fc1cc(-c2nnc3cncc(-c4nc(-c5cccnc5)cs4)n23)ccc1Cl,LHMMRPJKGXBFET-UHFFFAOYSA-N,2,1,0.384,45,140,408.849,4.769,5,0.43,0.74,1.0,0.3108937015968748,0.5490627784250566,0.7472157494345829,0.8380936878897951,0.6113164793365773
EOS-2-42137,Fc1ccccc1-c1nnc2cncc(-c3csc(-c4ccnc(Cl)c4)n3)n12,KQCWWJREBJIPLB-UHFFFAOYSA-N,2,1,0.457,96,140,408.849,4.769,5,0.402,0.77,1.0,0.15296244260160372,0.445043177301076,0.6984785141525598,0.8117332602289082,0.527054348571037
EOS-2-42138,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cnc(-c4ccccn4)s3)n12,ZOLJCCGPGSQUHV-UHFFFAOYSA-N,2,1,0.391,45,140,408.849,4.769,5,0.43,0.7,1.0,0.18040230278939073,0.5302069769035707,0.6631827839078884,0.7872832568021383,0.540268830100747
EOS-2-42139,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccccc3Cl)n12,YEVFDIIWLDKXHW-UHFFFAOYSA-N,2,1,0.47,45,46,408.849,4.769,5,0.43,0.8,1.0,0.1583681721609211,0.4319272154067576,0.8348896580083613,0.9092591323418545,0.5836110444794737
EOS-2-42140,Fc1cccc(Cl)c1-c1nnc2cncc(-c3csc(-c4cccnc4)n3)n12,WAQLYLLLSMGGLF-UHFFFAOYSA-N,2,1,0.366,45,140,408.849,4.769,5,0.43,0.79,1.0,0.1889178260571585,0.41838290727160576,0.6741655815228565,0.7987715029812898,0.5200594544582277
EOS-2-42141,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1,GISSBGBKRJMPDL-UHFFFAOYSA-N,2,1,0.771,90,305,408.817,4.687,4,0.463,0.82,1.0,0.9435782331574258,0.9532331574258104,0.9522051264478103,0.9457884997601261,0.9487012541977932
EOS-2-42142,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n[nH]1,NZBZWFWSIMIEOT-UHFFFAOYSA-N,2,1,0.404,92,62,408.813,1.937,5,0.467,0.59,0.242,0.32592865465012677,0.25102803097800014,0.17075594544582276,0.2155095606880954,0.2408055479405113
EOS-2-42143,Cn1nc(-c2cnc(Cl)cn2)cc1COc1cncc2nnc(-c3ccoc3)n12,JCJGXRZTNJQQPR-UHFFFAOYSA-N,2,1,0.438,92,85,408.809,2.807,5,0.436,0.6,1.0,0.34775717908299636,0.3468747858268796,0.20087725310122678,0.21815674045644576,0.27841648961688714
EOS-2-42144,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)no1,BLXINICQOYGQHY-UHFFFAOYSA-N,2,1,0.487,36,706,408.809,3.503,5,0.434,0.73,1.0,0.5419950654513056,0.6982386402576931,0.16144369817010487,0.24448290041806592,0.4115400760742924
EOS-2-42145,Cn1nc(-c2ccon2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,DEQPNMAFAKZGLY-UHFFFAOYSA-N,2,1,0.57,36,32,408.809,2.807,5,0.436,0.74,0.999,0.673043314371873,0.7494688506613666,0.07458364745390994,0.1516688369542869,0.41219116236035913
EOS-2-42146,Cn1cc(Cl)c(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,LANYQHLIVRKEMY-UHFFFAOYSA-N,2,1,0.488,36,22,408.809,2.807,5,0.436,0.73,1.0,0.45243643341786033,0.4844338976081146,0.24325783016928243,0.26550613391816874,0.36140857377835656
EOS-2-42147,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)nn1,SRMPFGBIJSFCOY-UHFFFAOYSA-N,2,1,0.608,36,134,408.809,2.807,5,0.436,0.73,1.0,0.579612432321294,0.7217548488794462,0.2432663970940991,0.3140291960797752,0.46466571859365363
EOS-2-42148,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)cc1,RNUNMWRMESZZLB-UHFFFAOYSA-N,2,1,0.391,45,730,408.799,4.576,5,0.438,0.77,1.0,0.06598245493797547,0.44505174422589266,0.9431498869165924,0.9689020629154959,0.6057715372489891
EOS-2-42149,Fc1ccc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1,BBMYKODHBQDVOU-UHFFFAOYSA-N,2,1,0.423,45,730,408.799,4.576,5,0.438,0.81,1.0,0.14161983414433554,0.5440596943321225,0.9437838393530258,0.9699215269686793,0.6498462236995408
EOS-2-42150,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)cn2)cc1,NSOBSLXVXGUYGI-UHFFFAOYSA-N,2,1,0.374,45,730,408.799,4.576,5,0.438,0.77,0.998,0.038559728599821805,0.31792714687135903,0.9425844698786924,0.9689106298403125,0.5669954937975464
EOS-2-42151,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1F,UNFFFOQPMHCPID-UHFFFAOYSA-N,2,1,0.423,45,102,408.799,4.576,5,0.438,0.78,1.0,0.1114813926392982,0.5394164210814886,0.954972243163594,0.9742392570762799,0.6450273284901651
EOS-2-42152,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)c1,GUNASHMWRSKSRN-UHFFFAOYSA-N,2,1,0.39,45,102,408.799,4.576,5,0.438,0.8,1.0,0.07593722157494345,0.48444246453293127,0.9497806867246933,0.9713179357137962,0.620369577136591
EOS-2-42153,Cn1nc(-c2ccc(F)nc2)nc1-c1cncc2nnc(-c3ncc(Cl)cn3)n12,IJUXRAKGKJDSDV-UHFFFAOYSA-N,2,1,0.301,50,489,408.788,2.231,5,0.418,0.62,0.638,0.14713693372626963,0.28181755876910425,0.058092317181824414,0.14175690494140222,0.15720092865465013
EOS-2-42154,Cc1nnncc1-c1cc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)no1,MTUXJZMNQQWFTM-UHFFFAOYSA-N,2,1,0.362,22,844,408.784,3.399,5,0.447,0.67,0.995,0.29537043382907274,0.4712751010897128,0.5120022616681515,0.6273130697005003,0.47649021657185936
EOS-2-42155,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,HIONOAQGGHVBCC-UHFFFAOYSA-N,2,1,0.538,13,15,408.78,4.426,5,0.434,0.71,1.0,0.876961825783017,0.9510314577479269,0.8398242067027619,0.8643941470769653,0.8830529093276677
EOS-2-42156,Cn1nc(-c2nnc3cncc(OCC(F)(F)F)n23)cc1-c1ccc(Cl)cc1,YVHIGCMZZDPFQL-UHFFFAOYSA-N,2,1,0.506,68,861,408.771,3.786,4,0.514,0.86,1.0,0.5344561716126379,0.6063155369748475,0.9437924062778426,0.9244054554177232,0.7522423925707629
EOS-2-42157,Clc1ncnc(COc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)n1,QOPAYKKSPYVZNN-UHFFFAOYSA-N,2,1,0.411,51,48,408.769,1.654,5,0.418,0.67,1.0,0.5344647385374546,0.5302155438283873,0.04709238571722295,0.058152285655541085,0.29248123843465146
EOS-2-42158,Oc1cc(F)c(Cl)cc1-c1nnc2cncc(OCc3nnn(-c4ccc(F)cc4Cl)n3)n12,SLGCFXNHAFODFM-UHFFFAOYSA-N,2,1,0.411,34,612,491.245,3.637,5,0.396,0.58,0.999,0.40394763895552055,0.5213316427935029,0.6605784387636214,0.805213830443424,0.5977678877390172
EOS-2-42159,FC(F)n1nnc(-c2ncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2Cl)n1,HQQUMPXTVMQELG-UHFFFAOYSA-N,2,1,0.438,55,62,491.249,3.516,5,0.351,0.67,1.0,0.5135100404358851,0.6063241038996642,0.36463402097183195,0.48463093687889797,0.4922747755465698
EOS-2-42160,Fc1cc(-c2nnc3cncc(Oc4cccc(C(F)(F)F)c4)n23)ccc1Cl,ORGXDORIRKWDPK-UHFFFAOYSA-N,2,1,0.6,23,254,408.742,5.395,4,0.426,0.88,1.0,0.984990747721198,0.9907648550476321,0.9994003152628332,0.9996487560825166,0.993701168528545
EOS-2-42162,Fc1ccc(Oc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(Cl)c1,RDDQPDUESKNUAY-UHFFFAOYSA-N,2,1,0.608,48,254,408.742,5.395,4,0.426,0.83,1.0,0.9839884175176479,0.9835258035775478,0.9993489137139332,0.9995716537591666,0.9916086971420739
EOS-2-42163,Fc1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(OC(F)(F)F)c1,VXDRAFOYUITPKQ-UHFFFAOYSA-N,2,1,0.452,45,444,408.742,5.149,4,0.44,0.84,1.0,0.8619440065793983,0.9589558632033446,0.9986549928037831,0.9993831814131999,0.9547345109999315
EOS-2-42164,Fc1cc(-c2nnc3cncc(-c4ccccc4OC(F)(F)F)n23)ccc1Cl,YNRLOLJKEALXJT-UHFFFAOYSA-N,2,1,0.424,23,444,408.742,5.149,4,0.44,0.84,1.0,0.8366972791446782,0.9478702624905764,0.9987149612774998,0.9992375436913166,0.9456300116510177
EOS-2-42165,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1F,ONCPVRZCMJVITF-UHFFFAOYSA-N,2,1,0.639,23,627,408.742,4.58,4,0.366,0.77,1.0,0.9818638201631142,0.9893513124528819,0.9941402234253992,0.9978497018710164,0.9908012644781029
EOS-2-42166,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cc(Cl)cn5)cc4Cl)n23)c(F)c1F,KVOJGRVXIMPTRX-UHFFFAOYSA-N,2,1,0.494,59,607,491.26,5.28,5,0.313,0.77,1.0,0.5548368857514906,0.7580700431773011,0.9808957576588307,0.9873295181961483,0.8202830511959427
EOS-2-42167,Cn1cnnc1-c1ccc(Cl)c(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)o4)n23)c1,YIBPJZJLFFFONO-UHFFFAOYSA-N,2,1,0.318,98,314,491.302,4.006,6,0.336,0.68,0.964,0.2164176547186622,0.43193578233157426,0.3052223973682407,0.45676273045027754,0.35258464121718863
EOS-2-42168,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)cn2)cn1,RYLJSHOZRGDXAQ-UHFFFAOYSA-N,2,1,0.506,55,903,491.309,3.388,5,0.353,0.76,1.0,0.5658710849153588,0.577290795695977,0.3087605373175245,0.2093842094441779,0.41532665684325953
EOS-2-42169,Fc1cnc(-c2cncs2)cc1COc1cncc2nnc(-c3c(Cl)ccc(Cl)c3F)n12,MOUZVCINDVMZNF-UHFFFAOYSA-N,2,1,0.512,59,577,491.31,5.474,5,0.304,0.64,1.0,0.8137807552600919,0.8723699540812829,0.9304280035638407,0.9480244671372764,0.891150795010623
EOS-2-42170,N#Cc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)ccc1Cl,OWLCSEKKRUMQMZ-UHFFFAOYSA-N,2,1,0.633,59,13,491.313,5.75,5,0.311,0.73,1.0,0.9345315605510246,0.9432441230895757,0.984425330683298,0.9890172023850319,0.9628045541772325
EOS-2-42171,N#Cc1ccc(Cl)cc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,DKLXYTSAIFKLFB-UHFFFAOYSA-N,2,1,0.566,59,153,491.313,5.75,5,0.311,0.73,1.0,0.872961071893633,0.8665872798300323,0.9771434445891303,0.9842197244876979,0.9252278802001234
EOS-2-42172,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Br)c5)n34)cn2)c1,JZDJJIFTNHTUGN-UHFFFAOYSA-N,2,1,0.563,11,429,491.324,4.771,5,0.341,0.84,1.0,0.9002381605099034,0.9118035090124049,0.7658830786101021,0.7827170858748543,0.8401604585018162
EOS-2-42173,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Br)nc5)n34)nc2)cc1,MUPVYDICDFFZSO-UHFFFAOYSA-N,2,1,0.548,11,384,491.324,4.771,5,0.319,0.86,1.0,0.8955092180111027,0.8914056610239188,0.7702779110410527,0.7782537180453705,0.8338616270303613
EOS-2-42174,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Br)cc5)n34)nc2)cn1,UHDRIWFBRWBUTJ-UHFFFAOYSA-N,2,1,0.628,11,384,491.324,4.771,5,0.319,0.82,1.0,0.8882444657665685,0.8752141731204167,0.8069700500308409,0.7987800699061065,0.8423021897059831
EOS-2-42175,Fc1cccc(Br)c1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,WHKGMBHHVXCUKI-UHFFFAOYSA-N,2,1,0.58,11,749,491.324,4.771,5,0.341,0.77,1.0,0.8988331848399699,0.9347114659721746,0.7190734014118292,0.7267236652731136,0.8198354293742718
EOS-2-42176,Cc1ncc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)c(-c2cccc(F)c2)n1,FJBXQJCKVVMCQP-UHFFFAOYSA-N,2,1,0.593,57,798,491.324,5.037,5,0.343,0.76,1.0,0.9588701939551778,0.9347200328969913,0.7395826194229319,0.7454509629223494,0.8446559522993626
EOS-2-42177,Cc1ccc(-c2nnc3cncc(OCc4ncc(Br)c(-c5ccc(F)cc5)n4)n23)cc1,VTLCQMPEJCUMQX-UHFFFAOYSA-N,2,1,0.568,43,210,491.324,5.037,5,0.343,0.81,1.0,0.9497121513261599,0.9332293879788911,0.6741741484476732,0.6883267082448085,0.8113605989993832
EOS-2-42178,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Br)nc4)n23)cc1,QCVGNPVVNBNEKG-UHFFFAOYSA-N,2,1,0.566,15,187,491.353,3.849,5,0.319,0.64,1.0,0.7605715852237681,0.6590706599958879,0.257478925364951,0.23569323555616475,0.4782036015351929
EOS-2-42179,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)nn2C)ccc1Br,SHDJDVAIDDZXLC-UHFFFAOYSA-N,2,1,0.427,95,835,491.353,3.674,5,0.358,0.73,1.0,0.33350181618806113,0.26641422794873554,0.19728771160304298,0.18950037694469193,0.2466760331711329
EOS-2-42180,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Br)cn4)n23)cc1,YBWXSTCEWWDGLC-UHFFFAOYSA-N,2,1,0.563,15,734,491.353,3.849,5,0.341,0.71,1.0,0.7750068535398533,0.6297375094236173,0.21148310602426154,0.2035844013432938,0.4549529675827565
EOS-2-42181,Clc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5Cl)n34)cc2)cs1,AKVWTYQCIFYSBF-UHFFFAOYSA-N,2,1,0.351,69,30,491.363,6.544,6,0.278,0.71,1.0,0.36830066479336576,0.4712836680145295,0.8717274347200329,0.9034507573161538,0.6536906312110204
EOS-2-42182,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnc(Cl)s6)cc5)n34)cn2)c1,BZXVACFYRCVXLX-UHFFFAOYSA-N,2,1,0.345,3,668,491.367,5.469,6,0.325,0.74,1.0,0.010365979028168049,0.21020663422657804,0.628066959084367,0.7480467411417997,0.3991715783702282
EOS-2-42183,Cn1nc(OC(F)F)nc1COc1cncc2nnc(-c3ccc(-c4cnn(C(F)F)c4)nn3)n12,LFSOWWXSOVTUQH-UHFFFAOYSA-N,2,1,0.35,53,44,491.369,2.149,5,0.297,0.59,0.914,0.347765746007813,0.385057569734768,0.2906928928791721,0.23570180248098144,0.3148045027756836
EOS-2-42184,Clc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccc(Cl)cc5)cc4)n23)cc1,GMAIBJGLWAQYLK-UHFFFAOYSA-N,2,1,0.809,79,397,491.378,6.299,5,0.255,0.86,1.0,0.9760468782125968,0.9861472825714481,0.9549808100884106,0.9589815639777945,0.9690391337125626
EOS-2-42185,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6nnco6)c(F)c5)n34)n2)cc1F,LXOKRWAGUOVLGN-UHFFFAOYSA-N,2,1,0.442,34,612,491.393,3.418,6,0.345,0.69,1.0,0.5498766362826399,0.534893084778288,0.6464258789664862,0.6563035432801042,0.5968747858268796
EOS-2-42186,N#Cc1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1cncc(OC(F)F)n1,BDHKBNBBGHJKRP-UHFFFAOYSA-N,2,1,0.408,46,62,491.393,3.229,5,0.312,0.58,0.998,0.8846377904187512,0.8486824069631965,0.7841905969433213,0.69958364745391,0.8042736104447947
EOS-2-42187,Cc1ncc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6nccc(C(F)(F)F)n6)c5)n34)cn2)o1,JSWCOYLUXYHEHY-UHFFFAOYSA-N,2,1,0.322,86,780,491.397,3.206,6,0.361,0.69,1.0,0.06261565348502501,0.13946096909053526,0.487774998286615,0.3261685285449935,0.2540050373517922
EOS-2-42188,O=[N+]([O-])c1cc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4)n23)ccc1OC(F)F,HCSTWXFOWRUDNI-UHFFFAOYSA-N,2,1,0.595,1,230,491.414,4.337,5,0.23,0.77,1.0,0.9211414570625728,0.5394249880063052,0.7494945514358166,0.509877664313618,0.6799846652045782
EOS-2-42189,CC(O)(O)c1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cc2F)cn1,OXULCDPZMQIMLB-UHFFFAOYSA-N,2,1,0.533,37,716,491.458,2.7,5,0.33,0.53,1.0,0.8918511411143856,0.8752227400452334,0.7060773764649442,0.5631896374477418,0.7590852237680762
EOS-2-42190,CCOc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)nc5)nc4)n23)nc1,UREVMHUEWCXIGM-UHFFFAOYSA-N,2,1,0.516,27,205,491.458,4.222,5,0.299,0.78,1.0,0.6114299910903982,0.7128024124460284,0.7610256322390515,0.5883164279350285,0.6683936159276267
EOS-2-42191,FC(F)(F)c1nc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)cs1,RVFBBTWKIGUWFH-UHFFFAOYSA-N,2,1,0.337,30,301,491.462,4.576,6,0.356,0.66,0.996,0.0215029812898362,0.13566582139675143,0.6308512096497841,0.5823024467137277,0.3425806147625249
EOS-2-42192,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(C#N)cc(F)c5F)c4)n23)nc1,JIZHSSOYDZWUNK-UHFFFAOYSA-N,2,1,0.282,10,673,491.465,4.559,6,0.355,0.59,0.956,0.023713247892536496,0.1660869714207388,0.834898224933178,0.8180299499691591,0.4606820985539031
EOS-2-42193,Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5OC(F)(F)F)nc4)n23)cc1,FMZDUDJRSJFRJF-UHFFFAOYSA-N,2,1,0.622,79,640,491.473,5.682,5,0.292,0.82,1.0,0.962117058460695,0.9404684394489754,0.9697844561716127,0.9265386196970735,0.9497271434445892
EOS-2-42194,Cc1cn(C)c(=O)cc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(CF)c4)n23)ccc1F,PRRNECSCGDJZEU-UHFFFAOYSA-N,2,1,0.522,43,521,491.473,4.792,5,0.341,0.59,0.952,0.8316941950517442,0.7668854088136523,0.9443749571653759,0.9126173668699884,0.8638929819751902
EOS-2-42195,Cn1nc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)c2)ncc1=O,XTPFISYXFOTDDE-UHFFFAOYSA-N,2,1,0.423,80,34,491.475,1.773,6,0.335,0.61,0.999,0.2953790007538894,0.13946953601535192,0.05443424028510726,0.04077856212733877,0.13251533479542182
EOS-2-42196,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncccn6)n5)n34)cn2)cn1,PSTCXGOBNJQYAP-UHFFFAOYSA-N,2,1,0.375,80,34,491.475,2.478,6,0.322,0.65,1.0,0.4592043040230279,0.3127013227331917,0.09078370228222878,0.048668699883489826,0.22783950723048457
EOS-2-42197,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ncccn6)n5)n34)cn2)cc1=O,MFNWYVGMRBQKQT-UHFFFAOYSA-N,2,1,0.412,80,34,491.475,1.773,6,0.335,0.65,0.99,0.2786563635117538,0.19143650195325887,0.06606812418614215,0.04867726680830649,0.14620956411486535
EOS-2-42198,Fc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(Oc6cccnn6)cc5)n34)c2)c1,AHLWXEYFICXMAX-UHFFFAOYSA-N,2,1,0.505,77,177,491.486,5.154,6,0.302,0.74,1.0,0.9223151257624563,0.7621650332396683,0.8170104859159756,0.7710232335001028,0.8181284696045508
EOS-2-42199,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5cccc(Oc6ccccc6)c5)n34)n2)nc1,LVZMSHVWPIHAEL-UHFFFAOYSA-N,2,1,0.5,17,960,491.486,5.154,6,0.302,0.74,1.0,0.603000137070797,0.6063326708244808,0.5916318278390789,0.5664365019532589,0.5918502844219039
EOS-2-42200,Fc1cccc(Oc2cccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)c2)c1,AOUABRWAZHXPFZ-UHFFFAOYSA-N,2,1,0.495,17,960,491.486,5.154,6,0.302,0.69,1.0,0.5742238366116099,0.6348690973888013,0.6520714824206703,0.6215903639229662,0.620688695086012
EOS-2-42201,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cc5)n34)c(F)c2)n[nH]1,RVGXGPQGQPBURH-UHFFFAOYSA-N,2,1,0.468,77,427,491.486,4.322,6,0.369,0.75,1.0,0.7692755808375026,0.6111729833458982,0.7681533136865191,0.7402251387841821,0.7222067541635255
EOS-2-42202,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Oc6ccccc6)c5)n34)cn2)nc1,OLCQPWFQYGBCKW-UHFFFAOYSA-N,2,1,0.495,17,410,491.486,5.154,6,0.302,0.71,1.0,0.8955177849359194,0.8003649509971901,0.6684171749708725,0.6332328147488178,0.7493831814131999
EOS-2-42203,Fc1cc(-c2nnc3cncc(OCc4cccc(Oc5ccccc5)n4)n23)ccc1-c1cncnc1,ZTNMMRLINIIICU-UHFFFAOYSA-N,2,1,0.489,17,960,491.486,5.154,6,0.302,0.68,1.0,0.8137893221849085,0.7311099307792475,0.7633301350147351,0.7079021314508944,0.7540328798574464
EOS-2-42204,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)c2)cn1,CWIFHALSPXQYKM-UHFFFAOYSA-N,2,1,0.457,17,410,491.486,5.154,6,0.283,0.71,1.0,0.6484990747721198,0.5258806798711535,0.7819203618669043,0.7530755260091837,0.6773439106298403
EOS-2-42205,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4sc(CF)nc4-c4ccc(F)cn4)n23)o1,IQPLAEMURKGRQX-UHFFFAOYSA-N,2,1,0.259,76,272,491.487,4.457,6,0.336,0.59,0.677,0.1889263929819752,0.25594544582276746,0.04710095264203961,0.0953241724350627,0.14682424097046126
EOS-2-42206,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccc(F)nn6)cn5)n34)cc2)cn1,MYSQCPHKXCMMPV-UHFFFAOYSA-N,2,1,0.467,40,25,491.49,4.127,6,0.339,0.63,1.0,0.6883352751696251,0.634877664313618,0.5084898224933178,0.44750188472345964,0.5698011616750052
EOS-2-42207,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cn5)n34)cc2F)cn1,FDKWHRXHUXPXGB-UHFFFAOYSA-N,2,1,0.547,41,621,491.49,4.127,6,0.339,0.61,1.0,0.7338684805702145,0.6932441230895757,0.6605870056884381,0.5696490987595093,0.6643371770269344
EOS-2-42208,Cn1nc(-c2nnc3cncc(OCCc4ccc5ccccc5n4)n23)cc1-c1cnc(C#N)c(F)c1,KQNYPCJZQVTNOQ-UHFFFAOYSA-N,2,1,0.378,95,54,491.49,3.767,6,0.345,0.65,1.0,0.5316890548968543,0.45391851141114387,0.4490867658145432,0.45677129737509425,0.4728664073744089
EOS-2-42209,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccc(-c5cncnc5)cc4)nn3)n12,LXJMDHURYHPPAP-UHFFFAOYSA-N,2,1,0.416,40,868,491.49,3.861,6,0.328,0.64,0.996,0.6114385580152149,0.6206651360427661,0.44556575971489276,0.46307655404016174,0.5351865019532588
EOS-2-42210,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncc(F)c6)cn5)n34)cc2)cn1,RDKQYQQSTBCPHW-UHFFFAOYSA-N,2,1,0.432,40,518,491.49,4.127,6,0.339,0.65,1.0,0.7217976835035296,0.6982472071825098,0.5156346377904187,0.45376430676444385,0.5973609588102254
EOS-2-42211,Cc1nccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ccc(F)nc6)n5)n34)cc2)n1,ZHNLQVVQVSOFOI-UHFFFAOYSA-N,2,1,0.456,40,59,491.49,4.127,6,0.317,0.67,1.0,0.8087776711671578,0.7494774175861832,0.4563258172846275,0.38406380645603455,0.5996611781235008
EOS-2-42212,Cc1cc(-c2ccc(-c3nnc4cncc(-c5c(F)c(-c6nnc7ccccn67)nn5C)n34)cc2)n[nH]1,BELLAWLGQJQHCL-UHFFFAOYSA-N,2,1,0.272,98,63,491.494,3.739,7,0.398,0.67,0.998,0.15027242820917003,0.2611113014872182,0.1581025974916044,0.23876876156534851,0.2020637721883353
EOS-2-42213,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)cc2)cc1F,MIDMIBWUEIWQKO-UHFFFAOYSA-N,2,1,0.529,21,47,491.501,6.378,6,0.271,0.78,1.0,0.890086354602152,0.8963230758686862,0.9410595572613255,0.9410338564868754,0.9171257110547597
EOS-2-42214,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)c5)n34)cc2)cc1F,UARILRQTZPPGFO-UHFFFAOYSA-N,2,1,0.585,12,492,491.501,6.378,6,0.271,0.74,1.0,0.9594613117675279,0.9158385306010555,0.9694246453293126,0.9669231032828456,0.9529118977451854
EOS-2-42215,FC(F)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c(Oc2ccccc2)c1,HIFLDSKOYXDZID-UHFFFAOYSA-N,2,1,0.351,17,403,491.501,7.25,6,0.246,0.71,0.999,0.4244482900418066,0.49868069357823314,0.9603437050236447,0.9520937564251936,0.7088916112672196
EOS-2-42216,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cc5F)n34)cc2)cc1,UKGBDGWKYRZUHU-UHFFFAOYSA-N,2,1,0.585,21,492,491.501,6.378,6,0.271,0.79,1.0,0.9745648002193132,0.9316445068878075,0.9608662874374615,0.959666917963128,0.9566856281269276
EOS-2-42217,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)cc2)nc1F,VRCAADKNRBUART-UHFFFAOYSA-N,2,1,0.517,21,47,491.501,6.378,6,0.253,0.76,1.0,0.9738451785347132,0.9006065382770201,0.942593036803509,0.9384209444177918,0.9388664245082585
EOS-2-42218,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)cc2)cc1F,OZHGRIWJDNJPRY-UHFFFAOYSA-N,2,1,0.566,21,47,491.501,6.378,6,0.271,0.8,1.0,0.9645157974093619,0.9056096223699541,0.9561287780138441,0.9526334726886437,0.944721917620451
EOS-2-42219,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)c(F)c5)n34)nc2)cc1,GWSFJTYSOUQQJU-UHFFFAOYSA-N,2,1,0.411,93,107,491.501,6.474,6,0.276,0.78,1.0,0.48864882461791515,0.6492615310808032,0.9624340346789116,0.9571996436159276,0.7643860084983893
EOS-2-42220,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5)n34)c2)cc1F,LWXDSUGWJRXZEA-UHFFFAOYSA-N,2,1,0.456,12,47,491.501,6.378,6,0.271,0.77,1.0,0.7891936810362552,0.721763415804263,0.9484699472277431,0.9532588582002605,0.8531714755671305
EOS-2-42221,c1csc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cncc(-n7cccn7)n6)n5)n34)cn2)c1,ZHMOOFBRFSCIST-UHFFFAOYSA-N,2,1,0.254,86,952,491.504,2.533,7,0.352,0.55,0.999,0.007204783770817627,0.06142485093550819,0.02276231923788637,0.034002124597354536,0.031348519635391675
EOS-2-42222,FC(F)Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,LBSBEGDFNOQPRI-UHFFFAOYSA-N,2,1,0.32,69,696,491.505,5.785,6,0.294,0.69,1.0,0.27567507367555344,0.4043759851963539,0.9206017407991227,0.9069888972654376,0.6269104242341169
EOS-2-42223,COc1cc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)ccc1-c1cnco1,KVSBCPFYTXFCTB-UHFFFAOYSA-N,2,1,0.548,17,410,491.507,5.826,6,0.263,0.73,1.0,0.6309882804468508,0.23056164759098075,0.8170190528407922,0.6883352751696251,0.5917260640120623
EOS-2-42224,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccc(C)nc6)cc5)n34)c2)o1,WBKQLJSITMWXOV-UHFFFAOYSA-N,2,1,0.511,77,323,491.511,4.799,6,0.311,0.74,1.0,0.5658796518401754,0.34182886710986227,0.5120108285929683,0.36828353094373245,0.44700071962168464
EOS-2-42225,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cnc(C)[n+](C)n5)cn4)n23)c(-c2ccc(F)cc2)n1,BMGKAWJFSBAUAB-UHFFFAOYSA-N,2,1,0.303,32,321,491.514,3.348,6,0.345,0.56,0.833,0.23302892193818106,0.27152011513946955,0.26467514221095195,0.23877732849016517,0.2520003769446919
EOS-2-42226,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Oc6cccnc6)nn5)n34)cc2)c1,MEIARMODFRQKBV-UHFFFAOYSA-N,2,1,0.505,40,2,491.515,3.791,6,0.313,0.67,1.0,0.6197998766362827,0.44058837639640874,0.29806901514632306,0.22372524158727983,0.39554562744157357
EOS-2-42227,COc1cc(-c2nnc3cncc(OCc4cccc(-c5ccccn5)n4)n23)ccc1-c1ncn(C)n1,OIIMTOZZWIYPFE-UHFFFAOYSA-N,2,1,0.505,28,609,491.515,3.631,6,0.33,0.6,1.0,0.26284182030018505,0.20087725310122678,0.2541206908368172,0.15695462956617093,0.21869859845109998
EOS-2-42228,COCn1nnc(-c2ccccn2)c1COc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,MCGRFSPCBJUUDF-UHFFFAOYSA-N,2,1,0.42,28,363,491.515,3.69,6,0.314,0.58,0.999,0.14714550065108628,0.1430419436639024,0.09079226920704545,0.12422040984168323,0.12630003084092933
EOS-2-42229,COc1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5)n34)nc2)cn1,XIRRICDMLUEDPH-UHFFFAOYSA-N,2,1,0.511,40,25,491.515,3.631,6,0.33,0.65,1.0,0.34070659995887875,0.2664227948735522,0.43074497978205745,0.2655147008429854,0.3258472688643685
EOS-2-42230,COc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)ccc1-c1nccn1C,SLXJGIODCVDAPU-UHFFFAOYSA-N,2,1,0.465,40,868,491.515,3.631,6,0.33,0.6,1.0,0.3360461928586115,0.15842814063463778,0.36822356247001575,0.22997909670344732,0.2731692481666781
EOS-2-42231,Cn1cc(-c2ccc(-c3nnc4cncc(OCCOc5ncc(-c6ccccc6)nn5)n34)cc2)cn1,ZKEGUJWIDGLTAU-UHFFFAOYSA-N,2,1,0.467,77,755,491.515,3.502,6,0.295,0.63,1.0,0.6397950791583853,0.29753786580768965,0.2761633883901035,0.229987663628264,0.36087099924611066
EOS-2-42232,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Oc6ccccn6)nc5)n34)cn2)cn1,OYFOZHDVCHQLPA-UHFFFAOYSA-N,2,1,0.511,6,318,491.515,3.791,6,0.313,0.65,1.0,0.47101809334521283,0.2767459392776369,0.3419059694332123,0.2181653073812624,0.3269588273593311
EOS-2-42233,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)c4)n23)nc1,WLMHINMMRXUOJZ-UHFFFAOYSA-N,2,1,0.4,77,755,491.515,3.631,6,0.33,0.71,1.0,0.35216057843876364,0.15064080597628676,0.30876910424234116,0.2093927763689946,0.25524081625659656
EOS-2-42234,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)cc4)n23)nc1,QOLVKYVQDHUKFV-UHFFFAOYSA-N,2,1,0.511,17,960,491.515,3.791,6,0.313,0.86,1.0,0.4019686793228703,0.16229182372695497,0.24327496401891577,0.2444914673428826,0.2630067336029059
EOS-2-42235,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccn5)cn4)n23)c1,ALUOJWIFMWEFMN-UHFFFAOYSA-N,2,1,0.543,40,848,491.515,3.791,6,0.313,0.71,1.0,0.3311373449386608,0.1788088547734905,0.24678740319374956,0.1784661777808238,0.23379994517168118
EOS-2-42236,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Oc6ccccc6)nn5)n34)cn2)n1,LVGHOEOMBPPBTC-UHFFFAOYSA-N,2,1,0.426,81,218,491.515,3.791,6,0.313,0.61,1.0,0.40197724624768694,0.24596497841134946,0.20434685765197724,0.16484476732232198,0.2542834624083339
EOS-2-42237,Fc1cccc(-c2nnc3cncc(-c4ccc5nc6nc-6cnc(-c6ccccc6)sn5n4)n23)c1,ISJOTHDGBDKLPN-UHFFFAOYSA-N,2,1,0.37,0,576,491.515,4.267,7,0.399,0.47,0.0,0.0802892193818107,0.29754643273250636,0.03139777945308752,0.015977314783085464,0.10630268658762251
EOS-2-42238,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnn(C)c(=O)c6)cc5)n34)n2)cn1,YJYPKCRGAWRFLA-UHFFFAOYSA-N,2,1,0.468,40,609,491.515,2.927,6,0.349,0.59,1.0,0.2708090603796861,0.19606264135425946,0.33479542183537797,0.2565194297854842,0.26454663833870196
EOS-2-42239,COc1cc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCc3cccc(-c4ncccn4)n3)n12,XBXYVFAHNZOUBS-UHFFFAOYSA-N,2,1,0.446,40,414,491.515,3.631,6,0.33,0.66,1.0,0.25456617092728395,0.14305051058871907,0.3348039887601946,0.2004489068603934,0.23321739428414778
EOS-2-42240,Fc1ccccc1-c1nnc2cncc(OCc3ccc(-c4ccsc4)s3)n12,XMHRHMUGIBWFAD-UHFFFAOYSA-N,2,1,0.537,4,436,408.483,5.299,5,0.396,0.77,1.0,0.7636985127818519,0.8122301418682749,0.7395911863477486,0.7608457268179014,0.7690913919539442
EOS-2-42241,CC(C)n1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)nn4)n23)cc1,UOOCQJUFHPNDCU-UHFFFAOYSA-N,2,1,0.48,67,755,491.519,3.457,6,0.327,0.62,1.0,0.2786649304365705,0.21517545062024535,0.0660766911109588,0.0537574532245905,0.15341863134809128
EOS-2-42242,CC(C)n1cncc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)cn1,GWYIDVSKIULMFB-UHFFFAOYSA-N,2,1,0.343,80,855,491.519,3.457,6,0.327,0.7,1.0,0.3568809540127476,0.2102152011513947,0.22516448495648003,0.12189877321636625,0.22853985333424712
EOS-2-42243,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cc2)nc1C1CC1,JUGGLJQKWGYFNW-UHFFFAOYSA-N,2,1,0.433,71,415,491.519,3.019,7,0.331,0.53,0.998,0.2980090466726064,0.17473099856075663,0.01270474950311836,0.02106606812418614,0.12662771571516687
EOS-2-42244,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nncn6C(C)C)nn5)n34)cc2)nn1,OKDDJXCPWOXBHP-UHFFFAOYSA-N,2,1,0.354,67,622,491.519,3.978,6,0.337,0.74,0.989,0.3683092317181824,0.22021280241244603,0.1581111644164211,0.09533273935987938,0.21049148447673224
EOS-2-42245,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)s1,JAKFKXXKBUOXQH-UHFFFAOYSA-N,2,1,0.477,7,395,408.472,3.049,5,0.437,0.57,0.942,0.3136008498389418,0.22554999657323008,0.05254094990062367,0.04323726954972243,0.1587322664656295
EOS-2-42246,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)s1,MYHBTQUCBAPCGF-UHFFFAOYSA-N,2,1,0.531,75,241,408.472,3.049,5,0.437,0.65,1.0,0.3800459187170173,0.3127098896580084,0.033967856898087866,0.03186039339318758,0.1896460146665753
EOS-2-42247,Cc1nc(-c2cncs2)cc(-c2nnc3cncc(OCc4ccns4)n23)n1,SEBMBHSZLIGWKK-UHFFFAOYSA-N,2,1,0.447,7,113,408.472,3.049,5,0.437,0.59,1.0,0.3477743129326297,0.2409190596943321,0.0437255842642725,0.039579192653005274,0.1679995373860599
EOS-2-42248,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(Cc6ccccc6)c5)cc4)n23)nc1,DHWHVWMLAWBHJA-UHFFFAOYSA-N,2,1,0.533,12,285,491.53,4.859,6,0.302,0.75,1.0,0.6515146323075869,0.5582807895277911,0.6795541772325406,0.6590449592214379,0.6370986395723391
EOS-2-42249,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccccc6)c(F)c5)n34)cc2)cn1,VGKRRNDWVAOFPR-UHFFFAOYSA-N,2,1,0.489,12,285,491.53,5.455,6,0.295,0.66,1.0,0.5471009526420396,0.47590980741553013,0.7084675484887945,0.6590535261462546,0.5976329586731547
EOS-2-42250,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(F)c5)c4)n23)cc1,HJEKQLYIZGYDSN-UHFFFAOYSA-N,2,1,0.54,12,994,491.53,5.455,6,0.295,0.68,1.0,0.7309899938318142,0.6348862312384347,0.7190819683366458,0.7188078267425125,0.7009415050373518
EOS-2-42251,Cn1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)nc2)n1,OMZTYRNZLGPJEW-UHFFFAOYSA-N,2,1,0.56,12,492,491.53,5.014,6,0.312,0.69,1.0,0.7248732095127133,0.7710146665752862,0.7293365773421973,0.6967908299636763,0.7305038208484682
EOS-2-42252,CCc1ccccc1CCc1cncc2nnc(-c3ncc(-c4ccnnc4)cn3)n12,VLJOTCLKBNUODK-UHFFFAOYSA-N,2,1,0.33,85,580,408.469,3.386,5,0.425,0.78,1.0,0.10417380577068056,0.02493831814131999,0.20435542457679393,0.20045747378521006,0.13348125556850113
EOS-2-42253,Cc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cn1,RHURYBIUODMLRY-UHFFFAOYSA-N,2,1,0.613,11,393,408.465,4.178,5,0.419,0.83,1.0,0.6485076416969364,0.5627869919813584,0.569246453293126,0.5067164690562675,0.571814389006922
EOS-2-42254,Cn1nc(-c2nnc3cncc(OCc4nc(-c5cccs5)cs4)n23)cc1-c1ncc(F)cn1,VMBMQKJCGNRUHL-UHFFFAOYSA-N,2,1,0.441,6,843,491.537,3.885,6,0.345,0.6,1.0,0.32339284490439313,0.35659824549379754,0.062110204920841613,0.07516619834144335,0.20431687341511892
EOS-2-42255,Cc1ccc(-c2nnc3cncc(OCc4cccc(Oc5ccccc5)c4)n23)cc1,VZLYZTLONAQYBO-UHFFFAOYSA-N,2,1,0.627,79,590,408.461,5.471,5,0.373,0.82,1.0,0.9156843259543554,0.7751267904872867,0.8445874169008293,0.791986498526489,0.8318462579672401
EOS-2-42256,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)c4)n23)cc1,TUWXXGVUOOMAOO-UHFFFAOYSA-N,2,1,0.632,79,650,408.461,4.53,5,0.447,0.81,1.0,0.9169179631279556,0.6545301898430539,0.8857771914193681,0.8628092659858817,0.8300086525940648
EOS-2-42257,c1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccccc5)n34)cc2)cc1,SIFWDBIYWNTARZ-UHFFFAOYSA-N,2,1,0.797,17,590,408.461,5.205,5,0.37,0.87,1.0,0.8918597080392022,0.792294907819889,0.7633387019395518,0.735016448495648,0.7956274415735728
EOS-2-42259,CC(Oc1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)n12)c1ccccc1,HGLRMFFELDYRCJ-UHFFFAOYSA-N,2,1,0.649,17,590,408.461,5.724,5,0.359,0.78,1.0,0.8033119731341237,0.6492700980056199,0.9042560482489206,0.8628178329106984,0.8049139880748406
EOS-2-42260,c1ccc(COc2ccccc2COc2cncc3nnc(-c4ccccc4)n23)cc1,UVXNDOGBMSUVHB-UHFFFAOYSA-N,2,1,0.676,79,824,408.461,4.949,5,0.381,0.83,1.0,0.7248817764375299,0.5213402097183195,0.8030892330888905,0.7480553080666164,0.6993416318278391
EOS-2-42261,Oc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,XMJIEPYZNNUJGB-UHFFFAOYSA-N,2,1,0.735,12,650,408.461,4.785,5,0.438,0.78,1.0,0.9415393050510589,0.827727708861627,0.7991141799739565,0.7850130217257213,0.8383485539030909
EOS-2-42262,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)n(C)n2)n(C)n1,LLQCUJWVQOZELJ-UHFFFAOYSA-N,2,1,0.437,92,105,408.451,1.664,5,0.431,0.62,1.0,0.03434480159002125,0.011745253923651566,0.0047803440477006374,0.0017819203618669043,0.01316307998081009
EOS-2-42263,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nccn5C5CCOCC5)cc4F)n23)sn1,XXXFUTPGIICGOA-UHFFFAOYSA-N,2,1,0.484,16,548,491.552,4.489,6,0.346,0.52,1.0,0.29538756767870605,0.19144506887807552,0.09787711603042971,0.17847474470564045,0.1907961243232129
EOS-2-42264,Cn1nc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)c1C(F)F,FKTUXSOBLWDPNJ-UHFFFAOYSA-N,2,1,0.327,30,945,491.552,5.981,6,0.297,0.52,0.998,0.06599102186279213,0.14670002056061957,0.5046775409499006,0.5368120759372216,0.3135451648276335
EOS-2-42265,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cccnc5-c5ccccc5)n34)nn2C)c(C)n1,NKTCNGBEALEYKW-UHFFFAOYSA-N,2,1,0.414,81,54,491.559,4.358,6,0.327,0.65,0.981,0.10897128366801453,0.012764717976835035,0.139957850729902,0.11730690151463231,0.09475018847234597
EOS-2-42266,Cc1cc(-c2nnc3cncc(-c4cccc(-c5nnc6ccccn56)n4)n23)nn1C,AOBYJIAMOBTLLP-UHFFFAOYSA-N,2,1,0.263,76,272,408.429,2.605,6,0.443,0.65,1.0,0.030549653896237407,0.009886231238434651,0.04373415118908917,0.06265848810910836,0.0367071311082174
EOS-2-42267,CCn1cncc1-c1cccc(-c2nnc3cncc(Oc4ccc(C#N)cn4)n23)c1,RSCSIQILWOTIRO-UHFFFAOYSA-N,2,1,0.361,26,448,408.425,3.734,5,0.436,0.73,1.0,0.46139743677609485,0.3227331916935097,0.5592145843328079,0.4692704406826126,0.4531539133712562
EOS-2-42268,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)c2)nn1,CFTMQCOSLFBVKZ-UHFFFAOYSA-N,2,1,0.537,89,250,408.425,3.037,5,0.44,0.74,1.0,0.6608525803577547,0.5440682612569392,0.619482900418066,0.5728102940168597,0.5993035090124049
EOS-2-42269,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)cc1,ZORANWUPUGCAEY-UHFFFAOYSA-N,2,1,0.543,89,230,408.425,3.131,5,0.44,0.73,1.0,0.5498852032074566,0.4450603111507093,0.5821225412925776,0.5201065725447194,0.5242936570488657
EOS-2-42270,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)c2)cn1,AVQMOBFZRUELHP-UHFFFAOYSA-N,2,1,0.556,89,256,408.425,3.037,5,0.44,0.74,1.0,0.62533411006785,0.4712922349393462,0.7084761154136111,0.6186776094852992,0.6059450174765266
EOS-2-42271,Cn1ccnc1-c1cncc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)c1,OHIVTOPFHITYCX-UHFFFAOYSA-N,2,1,0.549,89,656,408.425,3.037,5,0.44,0.73,1.0,0.8006390925913234,0.49868926050304985,0.585232335001028,0.5067250359810842,0.5978214310191214
EOS-2-42272,c1ccn2cc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nc2c1,XSWKVMMDIOCDKD-UHFFFAOYSA-N,2,1,0.452,40,763,408.425,3.408,6,0.469,0.67,1.0,0.5368463436364882,0.4089421561236379,0.4196850798437393,0.42214378726612295,0.44690434171749704
EOS-2-42273,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4csc(F)c4)n23)cn1,QIPWCJIUZQKVNJ-UHFFFAOYSA-N,2,1,0.46,55,45,408.422,2.761,5,0.441,0.61,1.0,0.5242015626070866,0.4938403810568158,0.23263484339661436,0.21551812761291206,0.3665487286683572
EOS-2-42274,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5sncc5F)n34)cn2)c1,GVSFVBBDWXFNTD-UHFFFAOYSA-N,2,1,0.476,55,823,408.422,2.761,5,0.441,0.71,1.0,0.6030087039956137,0.5825680213830443,0.20794496607497773,0.19753615242272635,0.3977644609690905
EOS-2-42275,Cn1nc(-c2cncs2)nc1COc1cncc2nnc(-c3ccc(F)cc3)n12,GNQVGEXBJYFVCG-UHFFFAOYSA-N,2,1,0.592,36,32,408.422,2.761,5,0.441,0.67,1.0,0.6084658351038311,0.6884637790418752,0.07669111095881022,0.1262507710232335,0.3749678740319375
EOS-2-42276,Cc1ncsc1COc1cncc2nnc(-c3ccc(-c4c[nH]nn4)c(F)c3)n12,FBIFWZWCSLNFQT-UHFFFAOYSA-N,2,1,0.506,16,256,408.422,3.059,5,0.476,0.62,0.996,0.5944417791789459,0.5970032896991296,0.29070145980398876,0.29203790007538893,0.4435461071893633
EOS-2-42277,Cn1nc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1ccc(F)nc1,IZPZWLAHYWMYJL-UHFFFAOYSA-N,2,1,0.438,95,694,408.422,2.761,5,0.413,0.64,1.0,0.3477828798574464,0.33183983277362755,0.21456719895826193,0.22098382564594612,0.2787934343088205
EOS-2-42278,Cn1nc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1ccc(F)cn1,HZIFBZGKQAVQCX-UHFFFAOYSA-N,2,1,0.416,95,694,408.422,2.761,5,0.441,0.55,1.0,0.39991261736687,0.34688335275169624,0.15811973134123775,0.17848331163045714,0.2708497532725653
EOS-2-42279,Cn1nc(-c2nnc3cncc(OCc4cncs4)n23)cc1-c1ccc(F)nc1,CAVIIQZJINIMTM-UHFFFAOYSA-N,2,1,0.438,95,694,408.422,2.761,5,0.413,0.65,1.0,0.34779144678226304,0.31271845658282504,0.2398310602426153,0.2327804811184977,0.28328036118155026
EOS-2-42280,Cn1nc(-c2nnc3cncc(OCc4cccs4)n23)cc1-c1cnc(F)cn1,ZGSDPTGPEPCAME-UHFFFAOYSA-N,2,1,0.518,7,694,408.422,2.761,5,0.441,0.54,0.908,0.36831779864299913,0.3516893975738469,0.16145226509492153,0.16485333424713866,0.26157819888972655
EOS-2-42281,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cncs4)n23)ccc1F,SQIHZXAIMSKGCJ-UHFFFAOYSA-N,2,1,0.549,16,256,408.422,2.761,5,0.441,0.7,1.0,0.5161058186553354,0.5302241107532041,0.3348125556850113,0.3294325269001439,0.42764375299842367
EOS-2-42282,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCCc3ccsc3)n12,GBSIAIHFGPALNC-UHFFFAOYSA-N,2,1,0.593,37,386,408.418,3.663,5,0.423,0.69,1.0,0.8190151463230758,0.7404735796038654,0.4877835652114317,0.4724487697895963,0.6299302652319924
EOS-2-42283,Fc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1nnco1,PJWLBDAQUYIOPH-UHFFFAOYSA-N,2,1,0.585,37,619,408.418,3.663,5,0.423,0.7,1.0,0.8769703927078336,0.740482146528682,0.49418305804948254,0.47829997943938046,0.6474838941813447
EOS-2-42284,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)c(F)c4)n23)c(F)c1,RUXQXVIXOBHFKV-UHFFFAOYSA-N,2,1,0.405,45,46,408.408,5.604,5,0.39,0.83,1.0,0.4019858131725036,0.6442755808375026,0.9792509080940306,0.987595092865465,0.7532768487423754
EOS-2-42285,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4n[nH]c(=S)o4)cc3)n12,SWFOQGCYRJPIIH-UHFFFAOYSA-N,2,1,0.432,36,447,408.407,1.606,5,0.427,0.61,1.0,0.4198307175656226,0.36609039819066547,0.010006168185868,0.007513193064217668,0.20086011925159344
EOS-2-42286,Fc1ccc2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cnc2c1,XLNLRNXYAIVPFH-UHFFFAOYSA-N,2,1,0.321,9,7,408.4,3.931,6,0.477,0.7,1.0,0.3545336166129806,0.4539270783359605,0.6957970666849428,0.745459529847166,0.5624293228702625
EOS-2-42287,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(F)c(F)c5)n34)nc2)s1,SHYPTMXNWIPYMF-UHFFFAOYSA-N,2,1,0.292,50,844,408.397,3.353,5,0.423,0.67,0.824,0.1691967651291892,0.2559540127475841,0.3682321293948324,0.40929340004112125,0.3006690768281818
EOS-2-42288,COC1(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ncn4)n23)CNC1,TVNMCXJKQVFFNI-UHFFFAOYSA-N,2,1,0.389,31,194,408.397,1.15,5,0.47,0.56,0.997,0.4547323692687273,0.33184839969844426,0.16765471866218903,0.22691213761908025,0.2952869063121102
EOS-2-42289,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccn5)n34)nn2)cn1,LEVZJQVYUUEAOV-UHFFFAOYSA-N,2,1,0.376,53,411,408.385,1.884,5,0.423,0.65,1.0,0.4592128709478446,0.4539356452607772,0.1676632855870057,0.15417894592557055,0.30874768693029947
EOS-2-42290,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nn5)n34)cn2)c1,UHMNLOCFWNGBQH-UHFFFAOYSA-N,2,1,0.284,76,14,408.385,2.688,6,0.467,0.66,0.986,0.12248132410389967,0.12174456856966623,0.12769858131725037,0.15696319649098758,0.13222191762045096
EOS-2-42291,c1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnoc6)cn5)n34)cn2)n[nH]1,SKQZWSGEZNJBAW-UHFFFAOYSA-N,2,1,0.282,86,780,408.385,2.688,6,0.467,0.59,1.0,0.1444297854842026,0.12542834624083338,0.19040847097525873,0.20653142348022754,0.16669950654513058
EOS-2-42292,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)cc2)o1,CTHHAEIGZBPHAB-UHFFFAOYSA-N,2,1,0.299,42,725,408.385,2.688,6,0.467,0.74,1.0,0.1832550887533411,0.14670858748543622,0.25748749228976764,0.27724282091700364,0.21617349736138713
EOS-2-42293,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)n[nH]1,RBXDQXWWSZACBL-UHFFFAOYSA-N,2,1,0.286,9,7,408.385,2.688,6,0.467,0.54,1.0,0.1692053320540059,0.15843670755945446,0.21807963813309575,0.2181738743060791,0.1909738880131588
EOS-2-42294,c1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)cc2)o1,BGXSXSKETWLHCR-UHFFFAOYSA-N,2,1,0.267,9,727,408.385,2.688,6,0.467,0.51,1.0,0.1336268932903845,0.12878658076896718,0.25412925776163386,0.26552326776780205,0.19551649989719688
EOS-2-42295,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccncn5)n34)cn2)cn1,NHWBZNBRTQOVJM-UHFFFAOYSA-N,2,1,0.432,7,282,408.385,1.884,5,0.423,0.71,1.0,0.4959906791857995,0.5394335549311219,0.2541378246864506,0.19231889520937565,0.3704702385031869
EOS-2-42296,c1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)no2)cn1,TUYRZISLXOJCFB-UHFFFAOYSA-N,2,1,0.303,42,154,408.385,2.688,6,0.467,0.56,1.0,0.08934445891302858,0.11839490096634912,0.2612826399835515,0.2592437118771846,0.18206642793502845
EOS-2-42297,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nn4)n23)cn1,QJBQIUWVXMJDPW-UHFFFAOYSA-N,2,1,0.44,92,617,408.385,1.884,5,0.423,0.65,1.0,0.4985607566307998,0.5302326776780207,0.2942567336029059,0.24726715098348298,0.39257932972380233
EOS-2-42298,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cc2)o1,GRHBMHCJHUJVAI-UHFFFAOYSA-N,2,1,0.315,38,818,408.381,3.558,6,0.431,0.71,1.0,0.23026180522239736,0.14305907751353575,0.3908573778356521,0.3781012267836337,0.2855698718388047
EOS-2-42299,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)o2)c1,FXIXNGBARBTVBP-UHFFFAOYSA-N,2,1,0.255,76,272,408.381,3.558,6,0.431,0.7,1.0,0.05720135700089096,0.02705434857103694,0.3310002741415941,0.34225721335069564,0.1893782982660544
EOS-2-42300,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cn2)c1,DLCWAYPGOUKSDR-UHFFFAOYSA-N,2,1,0.295,70,191,408.381,3.558,6,0.431,0.7,1.0,0.19713350695634296,0.11520800493454869,0.29807758207113977,0.30457131108217395,0.22874760126105134
EOS-2-42301,c1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)o1,PEBHOLONSMZTQV-UHFFFAOYSA-N,2,1,0.379,9,894,408.381,3.558,6,0.431,0.73,1.0,0.21365053800287848,0.19607120827907615,0.4088307861010212,0.3936930299499692,0.3030613905832363
EOS-2-42302,Cn1cc(-c2cc(Oc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n(C)n2)cn1,ZGOSCDIKWKEBMF-UHFFFAOYSA-N,2,1,0.494,36,706,408.372,2.996,5,0.454,0.71,1.0,0.4639589472962785,0.5876139401000616,0.6223870879309163,0.5567815776848742,0.5576853882530327
EOS-2-42303,Cn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)nn1C,KHZHVHCAXKKFEM-UHFFFAOYSA-N,2,1,0.407,95,956,408.372,2.996,5,0.454,0.69,0.998,0.30559077513535743,0.3468919196765129,0.5156432047152354,0.5136556781577685,0.42044539442121853
EOS-2-42304,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)o1,RDAUXWIDAITDMV-UHFFFAOYSA-N,2,1,0.493,74,121,408.368,4.053,5,0.436,0.76,1.0,0.5061167843191008,0.4759183743403468,0.8133181413199918,0.7530840929340004,0.63710934822836
EOS-2-42305,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccoc5)n34)cc2)cn1,XWLQXTJZAILWHW-UHFFFAOYSA-N,2,1,0.531,16,519,408.368,4.222,5,0.418,0.68,1.0,0.5769481187033103,0.4670430402302789,0.8809711465972174,0.8009046672606401,0.6814667431978617
EOS-2-42306,Cn1nnc(COc2cncc3nnc(-c4ccc(-c5nnn(C)n5)c(F)c4)n23)n1,YAFSKAXWMALLCK-UHFFFAOYSA-N,2,1,0.488,36,404,408.361,0.223,5,0.397,0.67,1.0,0.45006339524364336,0.507710232335001,0.00953498732095127,0.009080940305667877,0.24409738880131587
EOS-2-42307,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ncnn5C)n34)nc2F)n1,DRDZQKOMUIJBBC-UHFFFAOYSA-N,2,1,0.358,31,105,408.357,1.391,5,0.393,0.68,1.0,0.38228188609416763,0.3418374340346789,0.016517031046535537,0.011908025495168255,0.18813609416763757
EOS-2-42308,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncnn5C)n34)nc2F)o1,WBQWCLSGFHNOHY-UHFFFAOYSA-N,2,1,0.354,53,105,408.357,1.391,5,0.393,0.62,0.998,0.3521691453635803,0.33677438146802824,0.017279487355218972,0.012302104036734974,0.17963127955589062
EOS-2-42309,Cn1cc(-c2cnc(-c3cncc4nnc(-c5cc(F)c(F)cc5F)n34)cn2)cn1,MYUGJFFKRYXQAK-UHFFFAOYSA-N,2,1,0.338,50,845,408.347,3.066,5,0.427,0.68,1.0,0.23027037214721405,0.3660989651154821,0.8133267082448085,0.8141148653279419,0.5559527277088616
EOS-2-42310,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)nc1,UAJSWKAJPVRWOJ-UHFFFAOYSA-N,2,1,0.39,50,243,408.347,3.511,5,0.452,0.77,0.82,0.019532588582002606,0.26643136179836885,0.8170276197656089,0.7872918237269549,0.47257084846823383
EOS-2-42311,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)c1,PFFTYYNAENFCIL-UHFFFAOYSA-N,2,1,0.36,22,243,408.347,3.511,5,0.452,0.71,0.89,0.01954115550681927,0.26111986841203483,0.8069786169556576,0.8141234322527585,0.4754407682818176
EOS-2-42312,Cn1nc(-c2ccc(-c3cncc4nnc(-c5cc(F)cc(F)c5)n34)nn2)cc1F,VICATYHJYGDVCL-UHFFFAOYSA-N,2,1,0.484,22,844,408.347,3.066,5,0.456,0.63,1.0,0.20002912754437668,0.3805770680556507,0.657777054348571,0.7239908162565966,0.4905935165512988
EOS-2-42313,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(C(F)F)cc3)n12,HIFPVZVVUXTXLZ-UHFFFAOYSA-N,2,1,0.359,96,558,408.343,4.585,5,0.433,0.76,1.0,0.4313018298951408,0.6250342676992666,0.9583818792406278,0.9501062298677266,0.7412060516756904
EOS-2-42314,O=c1[nH]n(-c2ccccc2)cc1-c1cncc2nnc(-c3c(F)ccc(F)c3F)n12,KZZFJKNDDTWQFC-UHFFFAOYSA-N,2,1,0.305,45,46,408.343,3.355,5,0.464,0.61,1.0,0.24378041258309918,0.36610753204029883,0.8822390514700843,0.9160098690973888,0.6020342162977177
EOS-2-42315,Fc1cnc(COc2cncc3nnc(-c4noc(-c5ccccn5)n4)n23)c(F)c1,NAIWZXXKIDCUMY-UHFFFAOYSA-N,2,1,0.461,46,128,408.328,2.488,5,0.432,0.7,0.985,0.41296004386265506,0.29251764786512235,0.18704166952230827,0.24727571790829964,0.2849487697895963
EOS-2-42316,Fc1ccc(F)c(-c2nnc3cncc(OCc4nccc(-c5conn5)n4)n23)c1,CFRHWXZNSUWAJG-UHFFFAOYSA-N,2,1,0.433,73,446,408.328,2.488,5,0.432,0.59,0.983,0.5213744774175861,0.5119080254951682,0.3983363032006031,0.44751045164827635,0.46978231444040847
EOS-2-42317,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)cc1F,MFMOGGSJBDJAOB-UHFFFAOYSA-N,2,1,0.433,46,469,408.328,2.488,5,0.432,0.7,1.0,0.5658882187649921,0.48042457679391404,0.4909875950928655,0.4630851209649784,0.5000963779041875
EOS-2-42318,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5nnno5)cn4)n23)c1,GMPZRQZBEKXBJQ-UHFFFAOYSA-N,2,1,0.466,46,915,408.328,2.488,5,0.432,0.73,0.971,0.6198084435610993,0.5258892467959702,0.5624271811390583,0.5853265711740113,0.5733628606675348
EOS-2-42319,Fc1cncc(-c2nnc3cncc(OCc4cc(-c5nnco5)c(F)cn4)n23)c1,KPWIFTVLVZMUGY-UHFFFAOYSA-N,2,1,0.494,2,875,408.328,2.488,5,0.432,0.67,1.0,0.5714138852717429,0.5119165924199849,0.47702350764169693,0.47540435885134674,0.5089395860461928
EOS-2-42320,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncon5)cn4)n23)c(F)c1,WSRLCKRKXDQUAV-UHFFFAOYSA-N,2,1,0.536,73,212,408.328,2.488,5,0.432,0.65,1.0,0.6309968473716675,0.6545387567678707,0.4017973408265369,0.4409567541635255,0.5320724247824001
EOS-2-42321,Fc1ccccc1-c1nnc2cncc(OCc3ncc(F)c(-c4nnco4)n3)n12,HUIBEOPVYZLDCQ-UHFFFAOYSA-N,2,1,0.512,73,446,408.328,2.488,5,0.432,0.69,1.0,0.5972431635939963,0.6063412377492975,0.2251730518812967,0.3011959427044068,0.43248834898224936
EOS-2-42322,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cccnn5)n4)n23)c(F)c1,AMOCRGNCLQPKDD-UHFFFAOYSA-N,2,1,0.5,73,446,408.328,2.488,5,0.432,0.77,1.0,0.5393564526077719,0.6063498046741141,0.27617195531492017,0.35830306353231445,0.4450453190322802
EOS-2-42323,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)c1F,UWSKBWFQJQLHTQ-UHFFFAOYSA-N,2,1,0.411,46,564,408.328,2.488,5,0.432,0.64,1.0,0.7248903433623467,0.4986978274278665,0.5357669111095881,0.5034267699266671,0.5656954629566171
EOS-2-42324,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)c1,WOJXYNCFQIYNCC-UHFFFAOYSA-N,2,1,0.418,46,62,408.328,2.488,5,0.404,0.58,0.998,0.7002175998903434,0.4844510314577479,0.434625796724008,0.4315845384140909,0.5127197416215475
EOS-2-42325,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)c(F)c1,IZLLNVDZIZFPSF-UHFFFAOYSA-N,2,1,0.529,73,212,408.328,2.488,5,0.432,0.61,1.0,0.6669179631279556,0.6736772668083065,0.42722397368240694,0.4567798642999109,0.5561497669796449
EOS-2-42326,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnn5)no4)n23)c(F)c1,ZYCNNBUDQMMVCU-UHFFFAOYSA-N,2,1,0.511,73,29,408.328,2.488,5,0.432,0.72,1.0,0.5856092796929614,0.6785604139538072,0.27199129600438626,0.3583116304571311,0.4736181550270715
EOS-2-42327,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)n1,SARTZUPLOPEEIK-UHFFFAOYSA-N,2,1,0.424,46,237,408.328,2.488,5,0.404,0.58,1.0,0.5825080529093277,0.47130080186416284,0.35342848331163046,0.3549448290041807,0.4405455417723254
EOS-2-42328,Fc1ccc(-c2noc(COc3cncc4nnc(-c5ccccc5F)n34)n2)nn1,OQJFALRNTKJUNS-UHFFFAOYSA-N,2,1,0.506,4,29,408.328,2.488,5,0.432,0.71,1.0,0.5742324035364266,0.6492786649304366,0.20795353299979438,0.29499348913713935,0.4316145226509492
EOS-2-42329,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nn4)n23)cc1F,XTRDDNWJXPVYSL-UHFFFAOYSA-N,2,1,0.542,53,391,408.328,2.488,5,0.432,0.64,1.0,0.7781166472483038,0.7494859845109999,0.44909533273935986,0.4754129257761634,0.6130277225687067
EOS-2-42330,CCn1cnnc1-c1cnc(-c2nnc3cncc(OCC(F)(F)F)n23)c(F)c1,SHXQIIDSMJATII-UHFFFAOYSA-N,2,1,0.435,68,127,408.319,2.545,4,0.468,0.62,1.0,0.49599924611061613,0.562795558906175,0.6547272291138373,0.5567901446096909,0.5675780446850799
EOS-2-42331,Fc1c(Cl)ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)c5)o4)n23)c1Cl,IRPLQHKWMMAKJR-UHFFFAOYSA-N,2,1,0.5,73,469,491.697,5.52,5,0.299,0.67,1.0,0.7949163868137893,0.8985504763210198,0.9226663696799396,0.9506887807552601,0.8917055033925022
EOS-2-42332,Cn1cnnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c(F)n1,SJCAKHUUUWRGOT-UHFFFAOYSA-N,2,1,0.466,13,252,491.701,4.873,5,0.331,0.74,1.0,0.6911794942087588,0.8239668288671098,0.7563652251387842,0.8544650812144473,0.781494157357275
EOS-2-42333,Fc1cnc(COc2cncc3nnc(-c4cccnc4C(F)(F)F)n23)cc1F,YLFZZBDGEPJKOV-UHFFFAOYSA-N,2,1,0.59,68,255,408.29,3.457,4,0.482,0.69,1.0,0.7309985607566308,0.8122387087930917,0.9757641696936468,0.9401771640052087,0.8647946508121445
EOS-2-42334,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccccc5Cl)n34)nn2)cc1,XMGFQPDYQKWAPA-UHFFFAOYSA-N,2,1,0.437,45,730,408.252,4.346,5,0.444,0.85,1.0,0.022693783839353027,0.27675450620245357,0.7242221232266466,0.8836183263655678,0.47682218490850525
EOS-2-42335,Clc1ccc(-c2nnc3cncc(-c4cccc(-c5c[nH]nn5)c4)n23)c(Cl)c1,PLYAQLNWUXERAG-UHFFFAOYSA-N,2,1,0.382,45,46,408.252,4.55,5,0.474,0.7,1.0,0.24951168528544992,0.4670516071550956,0.8513038859570968,0.9265471866218902,0.6236035912548832
EOS-2-42336,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cc4)n23)cc1Cl,ABZOBKMIDYRLMR-UHFFFAOYSA-N,2,1,0.372,96,558,408.252,4.55,5,0.474,0.72,1.0,0.3407151668836954,0.49384894798163254,0.884517853471318,0.9358680008224248,0.6637374922897677
EOS-2-42337,Clc1ccc(-c2cnn(-c3ccc(-c4nnc5cncc(Cl)n45)nc3)c2)cc1,XTWUDSFBLJGZNZ-UHFFFAOYSA-N,2,1,0.471,22,575,408.252,4.346,5,0.444,0.77,1.0,0.027088616270303612,0.170104859159756,0.7633472688643684,0.8660561304913988,0.4566492186964567
EOS-2-42338,Clc1ccc(-c2ncoc2-c2cncc3nnc(-c4ccccc4Cl)n23)cc1,BMCDNLYZYCTMIT-UHFFFAOYSA-N,2,1,0.47,83,533,408.248,5.42,5,0.399,0.82,1.0,0.2814320471523542,0.5533376739085738,0.8513124528819135,0.9358765677472415,0.6554896854225207
EOS-2-42339,Clc1cc(-c2cncc3nnc(-c4ccccc4Cl)n23)ccc1-c1ccno1,CIEHVRSTAZEJBC-UHFFFAOYSA-N,2,1,0.47,96,46,408.248,5.42,5,0.399,0.8,1.0,0.2756836406003701,0.4137996024946885,0.9186656157905558,0.9613888698512781,0.6423844321842231
EOS-2-42340,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(Br)c5)c4)n23)cc1,IXQHJWXAICEVQZ-UHFFFAOYSA-N,2,1,0.704,57,23,491.776,6.453,5,0.283,0.81,1.0,0.9621256253855116,0.9882119114522651,0.9572510451648276,0.9704698101569461,0.9695145980398876
EOS-2-42341,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5Br)n34)c2)cc1,VSQQZHZRNAIHFG-UHFFFAOYSA-N,2,1,0.627,57,23,491.776,6.453,5,0.283,0.81,1.0,0.9345401274758413,0.962579672400795,0.9542868891782605,0.9679939688849291,0.9548501644849564
EOS-2-42342,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Br)cc5)n34)c2)cc1,ZOQAESSGVVQIQC-UHFFFAOYSA-N,2,1,0.7,57,23,491.776,6.453,5,0.283,0.88,1.0,0.9463539167980262,0.9580649030224111,0.9592814063463779,0.9709152902474127,0.958653879103557
EOS-2-42343,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5noc(C(F)(F)F)n5)nc4)n23)c(Cl)c1,BRYOOFSMGFGBQL-UHFFFAOYSA-N,2,1,0.517,27,679,491.792,4.627,5,0.328,0.64,1.0,0.77501542046467,0.8516636967993969,0.9169179631279556,0.8709821122609828,0.8536447981632513
EOS-2-42344,Fc1cc(-c2nnco2)cnc1COc1cncc2nnc(-c3ccc(Cl)cc3C(F)(F)F)n12,UWTZHGTYKANOSF-UHFFFAOYSA-N,2,1,0.457,27,712,491.792,4.627,5,0.328,0.69,1.0,0.8317027619765609,0.8723785210060997,0.9710694948941128,0.9513655678157769,0.9066290864231374
EOS-2-42345,FC(F)Oc1cc(Cl)ccc1-c1nnc2cncc(-c3cncc(-c4nnnn4C(F)F)c3)n12,SIAOHWHADLCPSN-UHFFFAOYSA-N,2,1,0.37,50,542,491.796,4.157,5,0.326,0.67,0.783,0.3407237338085121,0.6297460763484339,0.8757367555342335,0.8878246864505517,0.6835078130354328
EOS-2-42346,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(Cl)c(F)c3)n12,NHMPIUIDXCLZAN-UHFFFAOYSA-N,2,1,0.579,23,255,408.195,4.35,4,0.47,0.77,1.0,0.9479730655883764,0.9679682681104791,0.9685336851483791,0.9806901514632308,0.9662912925776164
EOS-2-42347,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1F,SCDPKVHIVAKLMH-UHFFFAOYSA-N,2,1,0.597,23,708,408.195,4.35,4,0.503,0.73,1.0,0.861952573504215,0.9562315811116442,0.9643187581385786,0.980270372147214,0.9406933212254129
EOS-2-42348,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1Cl,SAXYNZSCDMBOGZ-UHFFFAOYSA-N,2,1,0.644,23,255,408.195,4.35,4,0.47,0.78,1.0,0.9742649578507299,0.9769721060927969,0.97470187101638,0.9836029059008978,0.9773854602152011
EOS-2-42349,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1Cl,QXYDRBVMCZAJCY-UHFFFAOYSA-N,2,1,0.584,23,708,408.195,4.35,4,0.503,0.77,1.0,0.9489068603933932,0.9672657802755124,0.9588787608799945,0.9766294291001302,0.9629202076622575
EOS-2-42350,Cn1cnnc1-c1cnc(-c2nnc3cncc(Oc4ncc(-c5nnco5)cc4Cl)n23)c(F)c1,KMZDLIHRSWHDTC-UHFFFAOYSA-N,2,1,0.307,99,502,491.834,3.012,6,0.35,0.63,1.0,0.49109039819066547,0.5213487766431362,0.15812829826605443,0.2035929682681105,0.34354011034199167
EOS-2-42351,Fc1cc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)no4)n23)ccc1-c1nn[nH]n1,XAAALDMYMAJTQZ-UHFFFAOYSA-N,2,1,0.433,56,6,491.834,2.788,6,0.341,0.67,1.0,0.6574857789048043,0.6834521280241245,0.23264341032143102,0.3076982386402577,0.4703198889726543
EOS-2-42352,FC(F)Oc1cc2occc2cc1-c1cncc2nnc(-c3ccc(-c4ccnc(Cl)n4)nc3)n12,USQLPSZZAZTNNF-UHFFFAOYSA-N,2,1,0.404,96,693,491.845,5.311,6,0.299,0.64,0.989,0.6545216229182372,0.7264323898293469,0.8914741964224522,0.8836268932903845,0.7890137756151052
EOS-2-42353,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)c(F)c5F)n34)c(Cl)c2)no1,OSVUBIJUBHILKV-UHFFFAOYSA-N,2,1,0.346,42,192,491.845,5.403,6,0.322,0.72,1.0,0.43585086697279146,0.5349016517031047,0.8414090877938455,0.8529316016722637,0.6662733020355014
EOS-2-42354,FC(F)(F)c1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1cnns1,VBSYSMDQQAOPCZ-UHFFFAOYSA-N,2,1,0.357,51,52,491.846,3.746,5,0.339,0.54,1.0,0.4710266602700295,0.592377150298129,0.6577856212733877,0.5728188609416763,0.5735020731958056
EOS-2-42355,Fc1ccc(-c2noc(Cn3ncc(-c4cncc5nnc(-c6c(F)cccc6Cl)n45)n3)n2)cc1,VKGDKVREQXLMGJ-UHFFFAOYSA-N,2,1,0.357,45,730,491.849,4.08,6,0.354,0.72,1.0,0.31859536700705915,0.5628041258309917,0.39086594476046876,0.6031800424919471,0.4688613700226167
EOS-2-42356,FC(F)n1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)o5)n34)cc2)cn1,QMLVULQIUVZORD-UHFFFAOYSA-N,2,1,0.307,98,63,491.849,4.815,6,0.315,0.63,0.976,0.20272770886162703,0.42730107600575695,0.7320865602083476,0.7376293605647317,0.5249361764101159
EOS-2-42357,COCCOc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)cn1,WRSZJHKTKBCBNS-UHFFFAOYSA-N,2,1,0.39,7,903,491.899,2.691,5,0.281,0.67,1.0,0.4910989651154821,0.4713093687889795,0.18705023644712493,0.13038859570968406,0.3199617915153176
EOS-2-42358,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1cnc(OC)c(C)n1,AMTTVCAURBZPRH-UHFFFAOYSA-N,2,1,0.36,7,94,491.899,2.991,5,0.332,0.59,0.999,0.4475361524227263,0.38506613665958467,0.0860633267082448,0.04448804057295593,0.24078841409087795
EOS-2-42359,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(Cl)c(F)s6)cn5)n34)cn2)no1,OMXQZOASSDFJDJ-UHFFFAOYSA-N,2,1,0.349,70,392,491.899,4.523,6,0.35,0.69,0.994,0.3055993420601741,0.4319443492563909,0.2145757658830786,0.2684274552806525,0.305136728120074
EOS-2-42360,O=C(c1ccc(-c2nnc3cncc(OCc4sc(F)cc4Cl)n23)cc1F)N1CCOCC1,NLKBIZAFKYKYOU-UHFFFAOYSA-N,2,1,0.551,90,548,491.907,3.836,5,0.422,0.77,1.0,0.3592368583373312,0.25596257967240077,0.11346891919676513,0.32301590021245974,0.2629210643547392
EOS-2-42361,FC(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc6cc(Cl)ccc6s5)cn4)n23)cn1,NFCBFXJHDQGNGX-UHFFFAOYSA-N,2,1,0.348,32,572,491.914,6.116,6,0.295,0.71,0.857,0.3186039339318758,0.5440768281817558,0.8445959838256459,0.8660646974162155,0.6433353608388733
EOS-2-42362,Cc1cc(=O)n(C)nc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,WHDGSRJDRJGWSG-UHFFFAOYSA-N,2,1,0.655,84,360,491.914,3.669,5,0.357,0.69,0.993,0.6545301898430539,0.6884723459666918,0.5084983894181344,0.5264546638338702,0.5944888972654376
EOS-2-42363,COCc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)cn2)cn1,VCGOVZIZLCGXPL-UHFFFAOYSA-N,2,1,0.505,35,76,491.914,4.204,5,0.298,0.58,1.0,0.7310071276814475,0.7923034747447056,0.6984870810773764,0.6391525597971353,0.7152375608251662
EOS-2-42364,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nn2C)n(C(F)F)n1,MMTUOXIAYKMRHO-UHFFFAOYSA-N,2,1,0.414,31,569,491.915,3.823,5,0.341,0.61,0.997,0.3977537523130697,0.3566068124186142,0.11942293194434926,0.15418751285038723,0.2569927523816051
EOS-2-42365,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1c(C)oc(=O)n1C,XVLANNZGPXEORI-UHFFFAOYSA-N,2,1,0.64,91,458,491.935,4.342,5,0.334,0.64,1.0,0.6608611472825714,0.6063583715989308,0.4841683229387979,0.42515934480159,0.5441367966554724
EOS-2-42366,Fc1cc(-c2nnc3cncc(OCCc4cnsc4Cl)n23)ccc1-c1cccc2nccn12,BDQUAAAQKZVHAE-UHFFFAOYSA-N,2,1,0.538,35,429,491.939,4.977,6,0.327,0.58,1.0,0.8033205400589405,0.8083493249263245,0.6403519292714687,0.7350250154204647,0.7467617024192996
EOS-2-42367,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1nc2ccccn2n1,ZJIYDBHVPAZXCR-UHFFFAOYSA-N,2,1,0.49,11,639,491.939,4.977,6,0.327,0.66,1.0,0.9378126927558084,0.9432526900143924,0.5459958193406894,0.6364454115550682,0.7658766534164896
EOS-2-42368,Clc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)nc1,BYQXKAQNIKXLKH-UHFFFAOYSA-N,2,1,0.43,28,177,491.942,5.543,6,0.302,0.83,1.0,0.6793228702624906,0.6834606949489411,0.7797700637379207,0.7966040710026728,0.7347894249880064
EOS-2-42369,Clc1cccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)cc2)n1,IUQTVIBXKFFRPA-UHFFFAOYSA-N,2,1,0.534,12,427,491.942,5.543,6,0.282,0.69,1.0,0.6822099239257077,0.762173600164485,0.7242306901514632,0.7293537111918306,0.7244919813583717
EOS-2-42370,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)c5)n34)c2)nc1,OUQOIKZNYIFZDS-UHFFFAOYSA-N,2,1,0.511,77,427,491.942,5.543,6,0.302,0.66,1.0,0.8059591529024741,0.7217719827290796,0.7563737920636009,0.7555856349804674,0.7599226406689055
EOS-2-42371,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nc4)n23)cc1-c1ccccc1,DQUBDJUMZHBDBD-UHFFFAOYSA-N,2,1,0.506,41,177,491.942,5.543,6,0.302,0.76,0.999,0.8662703036118155,0.9076656843259544,0.8332962099924611,0.8381022548146118,0.8613336131862107
EOS-2-42372,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)c2)nc1,ZYAPEWQVBMYUMZ-UHFFFAOYSA-N,2,1,0.506,77,323,491.942,5.543,6,0.302,0.68,1.0,0.7187050236447124,0.6982557741073264,0.7967497087245562,0.8072784593242409,0.755247241450209
EOS-2-42373,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnccn6)c5)n34)cc2)cn1,XOBGMIHAQBNTJZ-UHFFFAOYSA-N,2,1,0.517,41,190,491.942,5.543,6,0.282,0.74,1.0,0.8662788705366322,0.8312487149612775,0.8429597011856624,0.8360290590089782,0.8441290864231376
EOS-2-42374,Clc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nn1,JCNYVPLCSKUTTI-UHFFFAOYSA-N,2,1,0.419,12,897,491.942,5.543,6,0.302,0.78,1.0,0.49856932355561645,0.6063669385237476,0.6713042286340896,0.7480638749914331,0.6310760914262217
EOS-2-42375,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)cc2)cn1,DPCJATSSQSOJHV-UHFFFAOYSA-N,2,1,0.528,12,427,491.942,5.543,6,0.282,0.78,1.0,0.6425964635734357,0.7580786101021177,0.7293451442670139,0.7322578987046809,0.715569529161812
EOS-2-42376,Clc1cccc(-c2cnnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,DKYTWTRTTOJQCE-UHFFFAOYSA-N,2,1,0.483,12,285,491.942,5.543,6,0.302,0.74,1.0,0.7338770474950311,0.8695942704406826,0.6713127955589062,0.7685388253032691,0.7608307346994723
EOS-2-42377,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)c2)cn1,NPGAJBMWKNBBCV-UHFFFAOYSA-N,2,1,0.468,77,808,491.942,5.543,6,0.282,0.77,1.0,0.6515231992324035,0.6590792269207045,0.829946542389144,0.8320026043451443,0.7431378932218491
EOS-2-42378,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)cc2)nn1,OXVFGXVOYLGTIH-UHFFFAOYSA-N,2,1,0.541,12,808,491.942,5.543,6,0.302,0.84,1.0,0.8458981563977794,0.7358474402028647,0.7472243163593997,0.7530926598588171,0.7705156432047152
EOS-2-42379,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)cn2)cc1,KTRPOFKFPULVSO-UHFFFAOYSA-N,2,1,0.534,28,667,491.942,5.543,6,0.302,0.73,1.0,0.6030172709204304,0.8083578918511412,0.7395997532725653,0.7608542937427181,0.7279573024467139
EOS-2-42380,Clc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cc5)n34)nc2)c1,YPDWXUKMYVYZAM-UHFFFAOYSA-N,2,1,0.438,41,78,491.942,5.543,6,0.302,0.85,1.0,0.6971078061818929,0.6785689808786238,0.8259029538756768,0.8360376259337948,0.759404341717497
EOS-2-42381,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccncc6)n5)n34)cn2)cc1,FLMWJOJWBQEAAY-UHFFFAOYSA-N,2,1,0.511,28,667,491.942,5.543,6,0.302,0.74,1.0,0.5471095195668563,0.7923120416695223,0.7541806593105339,0.7710318004249195,0.716158505242958
EOS-2-42382,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccnc5-c5ccccc5)n34)c2)nn1,DYBNFMOUPVOAHF-UHFFFAOYSA-N,2,1,0.473,12,808,491.942,5.543,6,0.302,0.73,1.0,0.7248989102871634,0.7081248714961278,0.6902799671030087,0.7161006785004455,0.7098511068466863
EOS-2-42383,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)c2)cc1,WPDOLAJOOGGMGU-UHFFFAOYSA-N,2,1,0.473,28,667,491.942,5.543,6,0.302,0.73,1.0,0.5010537317524502,0.6348947981632513,0.7320951271331643,0.7661229525049689,0.6585416523884586
EOS-2-42384,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nc5)n34)nc2)cn1,KPVKELOEKHMJDS-UHFFFAOYSA-N,2,1,0.444,28,363,491.942,5.543,6,0.282,0.83,1.0,0.6640394763895552,0.6545473236926873,0.7584983894181344,0.7661315194297855,0.7108041772325406
EOS-2-42385,Clc1cnc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,JKQMKNXQHDQVIA-UHFFFAOYSA-N,2,1,0.529,12,285,491.942,5.543,6,0.302,0.72,1.0,0.7338856144198479,0.8417003632376122,0.5692550202179426,0.6420224796107189,0.6967158693715304
EOS-2-42386,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nc(-c2ccccc2)c1,JADQJMAUHYDGHZ-UHFFFAOYSA-N,2,1,0.517,12,897,491.942,5.543,6,0.302,0.74,1.0,0.6515317661572202,0.7217805496538963,0.7242392570762799,0.7531012267836338,0.7126631999177575
EOS-2-42387,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)c2)nn1,AJSFYMMAPAPCTM-UHFFFAOYSA-N,2,1,0.489,12,808,491.942,5.543,6,0.302,0.76,1.0,0.5471180864916729,0.6393324652182852,0.6713213624837229,0.7024278664930437,0.6400499451716812
EOS-2-42388,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)nc5)n34)cc2)cc1,XPUXUCVLCBRVJK-UHFFFAOYSA-N,2,1,0.593,12,492,491.942,5.543,6,0.302,0.79,1.0,0.9081796998149544,0.8885528750599685,0.7610341991638682,0.7756236721266534,0.833347611541361
EOS-2-42389,Clc1cccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)n2)c1,ZCWFXZYBDWCCHF-UHFFFAOYSA-N,2,1,0.495,28,667,491.942,5.543,6,0.302,0.75,1.0,0.5010622986772668,0.6250428346240834,0.721763415804263,0.7583356178466177,0.6515510417380578
EOS-2-42390,COc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c(Cl)c1,XUYDPSSMIPIYCL-UHFFFAOYSA-N,2,1,0.398,69,867,491.942,5.639,6,0.308,0.65,1.0,0.45007196216846,0.46285381399492836,0.7585069563429512,0.7402337057089987,0.6029166095538345
EOS-2-42391,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccncc6)n5)n34)cc2)cc1,XCSCYTCWDAZBMW-UHFFFAOYSA-N,2,1,0.53,41,492,491.942,5.543,6,0.302,0.77,1.0,0.7367555342334315,0.8486909738880132,0.788139949283805,0.8117418271537249,0.7963320711397437
EOS-2-42392,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)c5)n34)cc2)nn1,MYNJMHRILMZIMQ-UHFFFAOYSA-N,2,1,0.506,12,323,491.942,5.543,6,0.302,0.77,1.0,0.8459067233225961,0.7621821670893016,0.8114334178603249,0.8141319991775752,0.8084135768624494
EOS-2-42393,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncc(Cl)c6)c5)n34)cn2)cn1,YVYDGYBOMHZWKM-UHFFFAOYSA-N,2,1,0.309,41,174,491.942,5.639,6,0.308,0.65,1.0,0.4358594338976081,0.5119251593448015,0.805085326571174,0.7873003906517716,0.6350425776163388
EOS-2-42394,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)nn2)cc1,IQPZRVGWYMYQAN-UHFFFAOYSA-N,2,1,0.451,12,897,491.942,5.543,6,0.302,0.82,1.0,0.5446508121444726,0.6736858337331232,0.6433160852580357,0.7161092454252621,0.6444404941402234
EOS-2-42395,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cc5)n34)nc2)cc1,CSIDHPQUDDWLFL-UHFFFAOYSA-N,2,1,0.506,41,190,491.942,5.543,6,0.302,0.84,1.0,0.7095041463916113,0.7404907134534987,0.8513210198067301,0.8612757864436982,0.7906479165238846
EOS-2-42396,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1-c1ccccc1,OZOAQCYAHBLIFX-UHFFFAOYSA-N,2,1,0.505,12,897,491.942,5.543,6,0.302,0.7,0.829,0.597251730518813,0.8723870879309163,0.7217719827290796,0.7634072373380851,0.7387045096292235
EOS-2-42397,COc1cccc(-c2ncc(Cl)cc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,POXKBVGWSGFROD-UHFFFAOYSA-N,2,1,0.311,69,479,491.942,5.639,6,0.308,0.67,1.0,0.5316976218216709,0.5772993626207936,0.6631913508327051,0.6534507573161538,0.6064097731478308
EOS-2-42398,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)cn2)cc1,HUNOFBUTZWDOHT-UHFFFAOYSA-N,2,1,0.534,28,120,491.942,5.543,6,0.302,0.81,1.0,0.5600541429648414,0.792320608594339,0.687589952710575,0.7161178123500788,0.6890206291549585
EOS-2-42399,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cc2)nc1,FNDWTSUBVLRWPU-UHFFFAOYSA-N,2,1,0.529,77,323,491.942,5.543,6,0.302,0.76,1.0,0.8936244945514358,0.8162737303817422,0.8091974504831746,0.8117503940785415,0.8327115173737236
EOS-2-42400,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)cc2)nn1,SRMOKEUKRWCPOW-UHFFFAOYSA-N,2,1,0.495,12,808,491.942,5.543,6,0.302,0.8,1.0,0.6911880611335754,0.7358560071276814,0.6875985196353916,0.7079106983757111,0.7056383215680899
EOS-2-42401,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nc(C)nn1C(C)C,SPRPXANEOPPMOH-UHFFFAOYSA-N,2,1,0.39,31,456,491.943,3.97,5,0.333,0.62,0.333,0.37527414159413336,0.3418460009594956,0.0884620656569118,0.051221643478856826,0.21420096292234939
EOS-2-42402,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5nccs5)cn4)n23)cc1OCC1CC1,KAEIXQXBSUNPBH-UHFFFAOYSA-N,2,1,0.448,51,946,491.964,4.726,6,0.307,0.67,0.999,0.585617846617778,0.7880114454115551,0.1838633404153245,0.3230244671372764,0.4701292748954835
EOS-2-42403,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccccc5Cl)n34)cc2)cc1,QMSCGEXARZJQLQ-UHFFFAOYSA-N,2,1,0.463,83,472,407.864,5.65,5,0.387,0.9,1.0,0.31861250085669246,0.6063755054485642,0.9638647111232952,0.9802789390720307,0.7172829141251457
EOS-2-42404,N#Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1,GKHPTLXNKMCVOF-UHFFFAOYSA-N,2,1,0.423,83,472,407.864,5.65,5,0.387,0.85,1.0,0.4152731135631554,0.8003735179220067,0.9681139058323625,0.9824035364265643,0.7915410184360222
EOS-2-42405,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1,QMDJSMRFAXUCHR-UHFFFAOYSA-N,2,1,0.493,83,472,407.864,5.65,5,0.387,0.86,1.0,0.40841100678500447,0.8277362757864437,0.9701271331642793,0.9832516619834144,0.7973815194297854
EOS-2-42406,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)cc4)n23)cc1Cl,BFZVHHOVPKHKQI-UHFFFAOYSA-N,2,1,0.39,96,558,407.861,5.374,5,0.403,0.87,1.0,0.3478000137070797,0.6063840723733809,0.9064320471523541,0.935011308340758,0.6989068603933932
EOS-2-42407,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)s2)c1,NGWZPFOPBIDIHL-UHFFFAOYSA-N,2,1,0.405,96,140,407.861,5.374,5,0.377,0.76,1.0,0.23303748886299774,0.5302412446028374,0.8757453224590501,0.9275580837502571,0.6416455349187855
EOS-2-42408,Fc1ccc(-c2nnc3cncc(-c4csc(-c5ccc(Cl)cc5)n4)n23)cc1,PFZBJQXDJNIZLT-UHFFFAOYSA-N,2,1,0.492,83,533,407.861,5.374,5,0.403,0.83,1.0,0.28424199849222126,0.6639109725173052,0.8513295867315468,0.9213299294085395,0.6802031217874032
EOS-2-42409,Cn1ccc(-n2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,JWQAOQRMQFBELJ-UHFFFAOYSA-N,2,1,0.549,36,404,407.825,2.338,5,0.44,0.65,1.0,0.3891011582482352,0.6015094921526969,0.125,0.18396614351312454,0.32489419847851414
EOS-2-42410,Clc1cccc(-c2cc(-c3nnc4cncc(OCCc5cnco5)n34)[nH]n2)c1,ALANGOMRZQISJC-UHFFFAOYSA-N,2,1,0.528,35,963,407.821,3.444,5,0.459,0.67,1.0,0.44754471934754303,0.44947227743129325,0.4121804537043383,0.4904735796038654,0.44991775752176
EOS-2-42411,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)on1,FYVAVGNGOWPTNC-UHFFFAOYSA-N,2,1,0.615,16,32,407.821,3.412,5,0.44,0.74,1.0,0.8825902953875677,0.7923291755191556,0.3271794256733603,0.3840723733808512,0.5965428174902337
EOS-2-42412,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cn2)nn1,SVCOXNIXRFHMLO-UHFFFAOYSA-N,2,1,0.405,50,845,407.8,2.836,5,0.453,0.72,1.0,0.21365910492769516,0.38058563498046744,0.4596326502638613,0.572827427866493,0.40667620450962927
EOS-2-42413,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1,MLZLTDXLUIQUPB-UHFFFAOYSA-N,2,1,0.367,22,649,407.8,2.836,5,0.453,0.79,1.0,0.26004043588513465,0.39464395860461926,0.46329072716057845,0.6157305873483654,0.43342642724967445
EOS-2-42414,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)n1,JPMRYWXZLOOSPB-UHFFFAOYSA-N,2,1,0.423,22,649,407.8,2.836,5,0.453,0.76,1.0,0.31090226852169145,0.5258978137207868,0.3497190048660133,0.520115139469536,0.4266585566445069
EOS-2-42415,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cn2)n1,RWZZVZOTQNYOSX-UHFFFAOYSA-N,2,1,0.371,22,649,407.8,2.836,5,0.453,0.78,1.0,0.2870262490576383,0.4183914741964225,0.3983448701254198,0.5303012130765541,0.40851595161400867
EOS-2-42416,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)n1,FKCSCFANGMYWCL-UHFFFAOYSA-N,2,1,0.382,22,649,407.8,2.836,5,0.453,0.82,1.0,0.21642622164347886,0.47131793571379615,0.3534370502364471,0.5034353368514838,0.38615413611130145
EOS-2-42417,Cc1ncc(-c2nnc3cncc(-c4cn(-c5c(F)cccc5Cl)nn4)n23)cn1,WIJRSDWWXPBEKJ-UHFFFAOYSA-N,2,1,0.313,50,844,407.8,2.93,5,0.453,0.73,1.0,0.01856452607771914,0.16230039065177165,0.3571636625316976,0.49048214652868205,0.2571276814474676
EOS-2-42418,Cn1cc(-c2ncc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cn2)nn1,VXYHBBXVZUXANV-UHFFFAOYSA-N,2,1,0.375,50,649,407.8,2.836,5,0.453,0.8,1.0,0.2027362757864437,0.3661160989651155,0.419693646768556,0.5368206428620382,0.3813416660955383
EOS-2-42419,Fc1ccc(Cn2nnc(-c3cncc4nnc(-c5cccnc5)n34)n2)cc1Cl,DDKBHBXISRQZQN-UHFFFAOYSA-N,2,1,0.367,22,221,407.8,2.681,5,0.451,0.74,1.0,0.2164347885682955,0.3127270235076417,0.2719998629292029,0.4783085463641971,0.3198675553423343
EOS-2-42420,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5c(F)cccc5Cl)n34)c2)n1,JHDKGLNDJORKAT-UHFFFAOYSA-N,2,1,0.329,22,649,407.8,2.836,5,0.453,0.79,1.0,0.18893495990679185,0.30247241450209034,0.3722243163593996,0.5303097800013707,0.3484853676924131
EOS-2-42421,Cc1ncc(-c2nnc3cncc(-c4cnn(-c5ncc(Cl)cc5F)c4)n23)cn1,LMZHXHLURCOBFC-UHFFFAOYSA-N,2,1,0.311,51,489,407.8,2.93,5,0.453,0.74,1.0,0.02479268041943664,0.1747395654855733,0.3571722294565143,0.434857103694058,0.24789039476389557
EOS-2-42422,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)c2)nn1,YZEFQDLWMPDOFE-UHFFFAOYSA-N,2,1,0.359,22,844,407.8,2.836,5,0.453,0.69,1.0,0.16106675347817148,0.3318569666232609,0.532340141182921,0.6391611267219519,0.41610624700157633
EOS-2-42423,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccccc5F)n34)c(Cl)cn2)no1,MRLIMGIWGQXFNB-UHFFFAOYSA-N,2,1,0.425,22,575,407.796,4.004,5,0.446,0.76,1.0,0.3259372215749435,0.4670601740799123,0.4877921321362484,0.6215989308477828,0.47559711465972176
EOS-2-42424,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)n1,SETAFTRIFXQCMF-UHFFFAOYSA-N,2,1,0.402,96,575,407.796,4.004,5,0.446,0.83,1.0,0.3592454252621479,0.5533462408333905,0.5592231512576246,0.6506922075251867,0.5306267562195874
EOS-2-42425,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,IEXOTRRUMCQAFF-UHFFFAOYSA-N,2,1,0.525,13,145,407.796,4.161,5,0.48,0.74,1.0,0.7750239873894866,0.7923377424439723,0.8185525323829758,0.8381108217394284,0.8060062709889658
EOS-2-42426,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1Cl,DDXDDJJNMOXFLH-UHFFFAOYSA-N,2,1,0.662,13,15,407.796,4.161,5,0.48,0.76,1.0,0.9049842368583373,0.8382478925364951,0.8366887122198615,0.8560242615310808,0.8589862757864437
EOS-2-42427,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nc2)no1,HWSJHAKQOBUCSJ-UHFFFAOYSA-N,2,1,0.375,22,575,407.796,4.004,5,0.446,0.84,1.0,0.37068226989239944,0.5490713453498732,0.5883935302583785,0.6649133027208554,0.5432651120553766
EOS-2-42428,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4)n23)n1,GGQPYNRPYWCWFV-UHFFFAOYSA-N,2,1,0.413,7,94,407.785,1.389,5,0.453,0.67,1.0,0.41074977725995476,0.5490799122746899,0.07459221437872661,0.1037111918305805,0.28453327393598793
EOS-2-42429,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5cccnn5)n4)n23)cn1,WHULGYHTXPSMOX-UHFFFAOYSA-N,2,1,0.422,55,875,407.781,2.259,5,0.4,0.67,0.999,0.4451288465492427,0.5582893564526078,0.07460078130354328,0.12625933794805017,0.3010695805633609
EOS-2-42430,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)cn1,YMUFKWRIFGIDEW-UHFFFAOYSA-N,2,1,0.453,55,434,407.781,2.259,5,0.4,0.66,1.0,0.6084744020286478,0.5673702967582757,0.1904170379000754,0.1895089438695086,0.38894267013912687
EOS-2-42431,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)n1,CZGGXWVCIPBUDY-UHFFFAOYSA-N,2,1,0.422,7,94,407.781,2.259,5,0.427,0.69,1.0,0.4886573915427318,0.5533548077582071,0.1427763689945857,0.17300047974778973,0.33944726201082864
EOS-2-42432,Clc1cncc(COc2cncc3nnc(-c4cc(-c5ncno5)ncn4)n23)c1,ORROXNJPDDVKMH-UHFFFAOYSA-N,2,1,0.4,46,395,407.781,2.259,5,0.427,0.63,0.511,0.5061253512439174,0.3850747035844013,0.19386094167637585,0.2415701459803989,0.3316577856212734
EOS-2-42433,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncon5)n34)cn2)nc1,BIGGDKGJOIWFSD-UHFFFAOYSA-N,2,1,0.435,51,48,407.781,2.259,5,0.427,0.66,1.0,0.5268144746761703,0.5490884791995065,0.08847063258172846,0.11957713659104928,0.3209876807621136
EOS-2-42434,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)nc1,IQXBBNFRNRRLBG-UHFFFAOYSA-N,2,1,0.43,51,196,407.781,2.259,5,0.427,0.71,1.0,0.5914519224179289,0.5582979233774245,0.1134774861215818,0.13943526831608527,0.35066565005825506
EOS-2-42435,Cn1ncnc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3Cl)n12,VFVHBTYBDCVHAO-UHFFFAOYSA-N,2,1,0.568,68,255,407.768,2.754,4,0.485,0.69,1.0,0.552455280652457,0.7173086148995956,0.6491844287574532,0.662189020629155,0.6452843362346652
EOS-2-42436,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)nc1,AQVCZMIOVLAXAY-UHFFFAOYSA-N,2,1,0.544,68,127,407.743,3.228,4,0.479,0.76,1.0,0.536854910561305,0.7837536837776712,0.9592899732711946,0.914921869645672,0.7987051093139607
EOS-2-42437,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(C#Cc4ccc(Cl)nc4)n3)n12,AIKMBPOJMWEIQY-UHFFFAOYSA-N,2,1,0.527,73,401,492.301,4.401,5,0.271,0.67,1.0,0.8392245219655953,0.9520594887259269,0.8927592351449524,0.9069974641902543,0.8977601775066822
EOS-2-42438,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Br)c5)n34)cn2)cn1,GMIBQTXFARDWFC-UHFFFAOYSA-N,2,1,0.522,35,76,492.312,4.166,5,0.329,0.67,1.0,0.9018830100747036,0.8914142279487355,0.6658042629017887,0.647796586937153,0.7767245219655953
EOS-2-42439,COc1cc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)ccc1-c1ncco1,PXEHQDSGPRFNOF-UHFFFAOYSA-N,2,1,0.692,91,955,492.333,4.839,5,0.321,0.7,1.0,0.9275495168254403,0.745151120553766,0.6795627441573573,0.5567987115345076,0.7272655232677677
EOS-2-42440,COc1cccc(Br)c1COc1cncc2nnc(-c3ccnc(-c4cncn4C)c3)n12,UQRYCQXDHARECX-UHFFFAOYSA-N,2,1,0.473,24,624,492.337,3.937,5,0.355,0.72,1.0,0.5268230416009869,0.4228548420259064,0.542551915564389,0.4028168048797204,0.4737616510177507
EOS-2-42441,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Br)nc4)n23)nc1,JBOQFZKBZFXLSE-UHFFFAOYSA-N,2,1,0.434,31,908,492.341,3.244,5,0.319,0.66,1.0,0.4835600712768145,0.43195291618120757,0.1166986498526489,0.11266362826399835,0.28621881639366736
EOS-2-42442,Clc1ccc(-c2nnc3cncc(OCc4cnc(Cl)cc4Cl)n23)cn1,QCTCWVSDGCWPNR-UHFFFAOYSA-N,2,1,0.539,90,555,407.648,4.121,4,0.474,0.66,1.0,0.7489634020971832,0.8938472345966691,0.8781868960318004,0.9316188061133576,0.8631540847097525
EOS-2-42443,Clc1ccc(COc2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cc1,KXFMAOSDJHGKOP-UHFFFAOYSA-N,2,1,0.667,79,397,492.366,5.694,5,0.259,0.85,1.0,0.9705897471043794,0.9615944760468782,0.9139795079158385,0.9135511616750052,0.9399287231855253
EOS-2-42444,Clc1ccc(CCOc2ccncc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,GKHRQHLVXIGBSA-UHFFFAOYSA-N,2,1,0.679,57,397,492.366,5.694,5,0.277,0.79,1.0,0.9600866972791446,0.9499862929202934,0.9121718867795217,0.9149304365704887,0.9342938283873621
EOS-2-42445,Cn1cc(-c2cc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n(C(F)(F)F)n2)cn1,CJYPXNXFGBECTD-UHFFFAOYSA-N,2,1,0.61,27,996,492.368,4.258,5,0.327,0.72,1.0,0.5825166198341444,0.7494945514358166,0.9603522719484614,0.8822647522445343,0.7936570488657392
EOS-2-42446,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cncc(Cl)c1,UZEANGQSWDBOSV-UHFFFAOYSA-N,2,1,0.44,18,717,492.37,5.134,5,0.291,0.67,1.0,0.6971163731067096,0.712810979370845,0.5760314577479269,0.6332413816736344,0.654800047974779
EOS-2-42447,Cc1nc(-c2ccc(Cl)c(F)c2)c(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)s1,YNEUVIGQTIVLSB-UHFFFAOYSA-N,2,1,0.489,4,554,492.388,6.31,5,0.288,0.69,0.991,0.6971249400315263,0.7959358508669728,0.7217805496538963,0.8260228908231101,0.7602160578438762
EOS-2-42448,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5sc(Cl)cc5F)n34)c(Cl)c2)cs1,SRCUUBMYAHYOSC-UHFFFAOYSA-N,2,1,0.466,4,712,492.388,6.31,5,0.288,0.76,1.0,0.742932287026249,0.8638972654375985,0.8152542663285587,0.8560328284558975,0.8195291618120759
EOS-2-42449,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(-c5nncs5)n4)n23)ccc1C(F)(F)F,KRHUTLJNBJQXJD-UHFFFAOYSA-N,2,1,0.462,27,51,492.393,3.976,5,0.34,0.59,0.999,0.8317113289013776,0.8914227948735521,0.8833870193955178,0.8340329655266946,0.8601385271742856
EOS-2-42450,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cnn(C(F)F)c6)n5)n34)cc2)n1,KMZNCTLOJHYURX-UHFFFAOYSA-N,2,1,0.436,56,614,492.41,2.202,6,0.322,0.68,1.0,0.41740627784250567,0.4043845521211706,0.11670721677746557,0.09146048934274553,0.2574896340209718
EOS-2-42451,Cn1nc(-c2nnn(C(F)F)n2)cc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,XGWIVOXGNLNRDD-UHFFFAOYSA-N,2,1,0.434,71,614,492.41,2.202,6,0.322,0.6,0.979,0.41983928449043934,0.41840004112123913,0.07026591734630937,0.05668734151189089,0.2412981461174697
EOS-2-42452,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc5nc(C(F)(F)F)cn5n4)n23)cc1,REJFKKVYNTXMKC-UHFFFAOYSA-N,2,1,0.489,67,734,492.425,3.227,6,0.361,0.71,1.0,0.4811356315536975,0.49870639435268316,0.6631999177575217,0.5098862312384347,0.5382320437255843
EOS-2-42453,COc1cc(-c2nnc3cncc(OC4COc5ccccc5O4)n23)ccc1-c1cnn(C(F)F)c1,RCVOWXNJHIPYLB-UHFFFAOYSA-N,2,1,0.442,1,955,492.442,4.235,6,0.347,0.48,1.0,0.6702247961071893,0.5719364676855596,0.9178688917826057,0.7897248303748886,0.7374387464875607
EOS-2-42454,COc1nc(CCOc2cncc3nnc(-c4ccc(-c5nn(C)c(=O)cc5F)nc4)n23)ccc1F,OAUXNARWQAJIOX-UHFFFAOYSA-N,2,1,0.461,58,579,492.446,2.25,5,0.337,0.6,0.994,0.5524638475772736,0.46706874100472895,0.22182338427797957,0.17558769104242342,0.3542359159756014
EOS-2-42455,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)cc4)n23)cc1,CGCPICIDJCBLBW-UHFFFAOYSA-N,2,1,0.724,79,590,492.457,6.104,5,0.261,0.82,1.0,0.9834401343293812,0.9805873483654307,0.985453361661298,0.9632478925364951,0.9781821842231513
EOS-2-42456,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)n23)cc1,NPTIYOWNQSFUSG-UHFFFAOYSA-N,2,1,0.73,79,640,492.457,5.428,5,0.326,0.8,1.0,0.9784627510108971,0.917577616338839,0.9935319717634158,0.9832602289082311,0.9682081420053458
EOS-2-42457,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccc1Oc1ccccc1,CBODYAMZJJGJPF-UHFFFAOYSA-N,2,1,0.756,79,590,492.457,5.946,5,0.253,0.79,1.0,0.9918871221986156,0.9954680967719828,0.9729627852785964,0.9552977863066274,0.9789039476389556
EOS-2-42458,Fc1ccc(OCc2ccccc2)c(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,OREINUWHJCPBCT-UHFFFAOYSA-N,2,1,0.76,79,640,492.457,5.69,5,0.263,0.84,1.0,0.9809642930573641,0.9809642930573641,0.9792594750188472,0.9627081762730451,0.9759740593516552
EOS-2-42459,Oc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cc2)cc1,OOPGECJBKSHQEZ-UHFFFAOYSA-N,2,1,0.671,79,640,492.457,5.684,5,0.315,0.76,1.0,0.9797734905078473,0.9787882941539305,0.9882547460763484,0.9716520457816462,0.9796171441299432
EOS-2-42460,FC(F)(F)c1cnc(COc2cncc3nnc(-c4ccc(COCc5ccccc5)cc4)n23)nc1,LZWNCXAVWOPEEL-UHFFFAOYSA-N,2,1,0.57,1,138,492.461,4.896,5,0.305,0.78,1.0,0.8900949215269687,0.8277448427112604,0.9648242067027619,0.9135597285998218,0.8990559248852033
EOS-2-42461,Cc1cccc(CCOc2cncc3nnc(-c4ccc(Oc5ccc(C(F)F)cn5)c(F)c4)n23)n1,BBFYQLOVGYGMOL-UHFFFAOYSA-N,2,1,0.515,11,275,492.461,5.38,5,0.287,0.61,1.0,0.8729696388184497,0.9118120759372216,0.9008892467959702,0.8180385168939758,0.8759273696114043
EOS-2-42462,Cc1nc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)ccc1-c1cccnc1,LCGBKJAUFSLYCL-UHFFFAOYSA-N,2,1,0.516,11,676,492.461,5.077,5,0.313,0.75,1.0,0.8507470358440135,0.8200346103762594,0.9457113974367761,0.8793776985813172,0.8739676855595915
EOS-2-42463,COc1cc(-c2nnc3cncc(OCCc4c(F)cc(F)cc4F)n23)ccc1-c1cnc(C)nc1,WJNHYARHOOKXLT-UHFFFAOYSA-N,2,1,0.535,88,313,492.461,4.604,5,0.328,0.5,1.0,0.9574138167363443,0.9137396340209718,0.8951494071688026,0.8162822973065589,0.8956462888081693
EOS-2-42464,Cn1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nn2)ccc1=O,ZODPICNXOJXDQF-UHFFFAOYSA-N,2,1,0.357,80,277,492.463,1.168,6,0.326,0.54,1.0,0.35454218353779726,0.17474813241038997,0.032580015077787676,0.027002947022136934,0.14721831951202793
EOS-2-42465,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)c(C(F)(F)F)nc1C,CFMWYBCISZHGGX-UHFFFAOYSA-N,2,1,0.49,65,858,492.465,4.295,5,0.346,0.68,1.0,0.6669265300527722,0.6393410321431019,0.6605955726132547,0.4662034815982455,0.6082666541018436
EOS-2-42466,Oc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ncnnc4-c4ccccc4F)n23)cc1,BBKMIEGLLXTLBG-UHFFFAOYSA-N,2,1,0.444,77,937,492.474,4.129,6,0.365,0.58,1.0,0.7949249537386059,0.6932526900143924,0.512019395517785,0.5232677678020697,0.6308662017682132
EOS-2-42467,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)ccc1Oc1ccncc1,HRWWZAMQSBVWAC-UHFFFAOYSA-N,2,1,0.5,28,942,492.474,4.549,6,0.317,0.72,1.0,0.7750325543143033,0.7311184977040641,0.734656637653348,0.644909533273936,0.7214293057364128
EOS-2-42468,COc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)nn2)cn1,XWQRHMAXIUBNFW-UHFFFAOYSA-N,2,1,0.409,41,323,492.474,4.645,6,0.328,0.75,1.0,0.7807723939414708,0.7264409567541635,0.6403604961962854,0.5232763347268864,0.6677125454047015
EOS-2-42469,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnnc5)cn4)n23)c(-c2ccc(F)cn2)n1,AQUPEORHZOEESS-UHFFFAOYSA-N,2,1,0.41,6,843,492.478,3.522,6,0.34,0.59,1.0,0.6141114385580152,0.6297546432732506,0.3310088410664108,0.295002056061956,0.4674692447399082
EOS-2-42470,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)c(-c2cc(F)ccn2)n1,XAVIMLUXMQIRNZ-UHFFFAOYSA-N,2,1,0.408,80,621,492.478,3.522,6,0.34,0.65,0.999,0.576956685628127,0.654555890617504,0.32354704955109315,0.29501062298677266,0.4625175621958742
EOS-2-42471,Cc1nc(F)ccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)nc4)n23)cn1,SGKHYGYJICIQND-UHFFFAOYSA-N,2,1,0.441,80,34,492.478,3.522,6,0.318,0.65,1.0,0.7781252141731204,0.7081334384209444,0.3235556164759098,0.26553183469261876,0.5188365259406483
EOS-2-42472,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(-c6cnccn6)nc5)n34)nc2)cn1,JWOBSBMAOJITND-UHFFFAOYSA-N,2,1,0.435,80,34,492.478,3.256,6,0.306,0.56,1.0,0.8317198958261942,0.7311270646288808,0.3087776711671578,0.2950191899115893,0.5416609553834556
EOS-2-42473,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ncc(C)nn6)c5)n34)nc2)c(F)c1,LCBXGLNLCXYYTG-UHFFFAOYSA-N,2,1,0.324,70,179,492.478,3.618,6,0.352,0.48,0.814,0.3615242272633815,0.4184086080460558,0.37612226715098346,0.35495339592899733,0.3777521245973545
EOS-2-42474,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)cc1F,CWVHXLJESUXZAA-UHFFFAOYSA-N,2,1,0.44,56,621,492.478,3.522,6,0.34,0.58,1.0,0.72490747721198,0.6250514015489,0.39835343705023646,0.3422657802755123,0.5226445240216572
EOS-2-42475,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2F)cn1,LLCCBYLHYUZURE-UHFFFAOYSA-N,2,1,0.476,80,621,492.478,3.522,6,0.34,0.68,1.0,0.8529573024467137,0.7710232335001028,0.48069871838804745,0.40282537180453704,0.6268761565348503
EOS-2-42476,Cc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnc(F)nc6)nc5)n34)n2)n1,XPIULSACOGXCMQ-UHFFFAOYSA-N,2,1,0.408,80,843,492.478,3.522,6,0.318,0.6,1.0,0.5856264135425947,0.5673788636830923,0.3310174079912275,0.262430607908985,0.43661332328147495
EOS-2-42477,Fc1cc(-c2nnc3cncc(OCCc4nccc(-c5cnccn5)n4)n23)ccc1-c1cncnc1,OTFOJCQCMXLCPS-UHFFFAOYSA-N,2,1,0.469,80,147,492.478,3.256,6,0.327,0.58,1.0,0.8112620793639915,0.8312572818860942,0.3382564594613118,0.33908745116852856,0.5799658179699815
EOS-2-42478,COC(C)n1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,RPJWADODCINYAN-UHFFFAOYSA-N,2,1,0.684,1,996,492.486,5.0,5,0.286,0.58,1.0,0.8641371393324652,0.6250599684737167,0.9334778287985744,0.8438934959906792,0.8166421081488588
EOS-2-42479,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cn5)n34)cc2)cc1F,BMZAHRHUSTTZEP-UHFFFAOYSA-N,2,1,0.633,41,492,492.489,5.773,6,0.294,0.71,1.0,0.8595966691796313,0.872395654855733,0.9390463299294085,0.9307364128572407,0.9004437667055034
EOS-2-42480,Fc1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5cccc(F)n5)cc4)n23)cn1,LZISNNBLWYNCSO-UHFFFAOYSA-N,2,1,0.494,12,808,492.489,5.773,6,0.275,0.52,1.0,0.9397659516140087,0.8780155575354671,0.9206103077239394,0.9081025974916044,0.9116236035912548
EOS-2-42481,Fc1ccc(F)c(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cc2)c1,AHKBCJRVDUHGAC-UHFFFAOYSA-N,2,1,0.56,12,994,492.489,5.773,6,0.294,0.75,1.0,0.9112809265985882,0.9213470632581728,0.9417877458707422,0.9366989925296415,0.9277786820642862
EOS-2-42482,Fc1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)cc1,REJZUCFXXSVWDW-UHFFFAOYSA-N,2,1,0.477,12,897,492.489,5.773,6,0.294,0.8,1.0,0.8218165307381262,0.7794102528956206,0.892767802069769,0.9149390034953053,0.8522333972997053
EOS-2-42483,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)c5)n34)cc2)c(F)c1,TYOIZXKNAZASQJ-UHFFFAOYSA-N,2,1,0.593,12,492,492.489,5.773,6,0.294,0.76,1.0,0.9489154273182099,0.9175861832636557,0.9235573298608731,0.912625933794805,0.9256712185593858
EOS-2-42484,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)cc2)cc1F,GTTUZWYZQZKYFK-UHFFFAOYSA-N,2,1,0.57,12,492,492.489,5.773,6,0.294,0.72,1.0,0.8341357686244946,0.8639058323624151,0.8986447124940031,0.8892210951956686,0.8714768521691454
EOS-2-42485,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccc(F)cn6)c5)n34)cc2)cc1,JJQHHERBQACHAY-UHFFFAOYSA-N,2,1,0.566,12,492,492.489,5.773,6,0.294,0.75,1.0,0.9526677403879104,0.8985590432458365,0.9326811047906244,0.9285004454800905,0.9281020834761153
EOS-2-42486,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)ccc2F)c1,JVFWYHLCYWZRPX-UHFFFAOYSA-N,2,1,0.558,12,994,492.489,5.773,6,0.294,0.76,1.0,0.9250736755534233,0.9056181892947708,0.9396717154410252,0.9367075594544583,0.9267677849359195
EOS-2-42487,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)c5)n34)cc2)cc1F,OXSXKXIFHHCWMO-UHFFFAOYSA-N,2,1,0.578,12,492,492.489,5.773,6,0.294,0.71,1.0,0.9471078061818929,0.8963316427935029,0.9572596120896443,0.9506973476800767,0.9378491021862791
EOS-2-42488,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5-c5ccccc5)n34)nc2)cn1,VITQBYVHVXOGGC-UHFFFAOYSA-N,2,1,0.429,12,737,492.489,5.773,6,0.275,0.74,1.0,0.7605801521485848,0.7311356315536974,0.9092762661914879,0.908111164416421,0.8272758035775478
EOS-2-42489,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccc(F)c6)n5)n34)nc2)cc1,PXOAAQZYPJRETF-UHFFFAOYSA-N,2,1,0.447,12,492,492.489,5.773,6,0.294,0.82,1.0,0.639803646083202,0.6932612569392091,0.8845264203961346,0.8946353916798027,0.7780566787745871
EOS-2-42490,Fc1cccc(-c2ccccc2COc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)c1,VTMCHLGDTCOWIA-UHFFFAOYSA-N,2,1,0.489,12,808,492.489,5.773,6,0.294,0.73,1.0,0.8413491193201289,0.8348896580083613,0.9092848331163046,0.9103985333424713,0.8739805359468165
EOS-2-42491,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6cccnc6)c5)n34)cc2)cn1,MNMYLFDINFWVMB-UHFFFAOYSA-N,2,1,0.566,41,492,492.489,5.773,6,0.275,0.75,1.0,0.9489239942430265,0.8885614419847851,0.9484785141525598,0.9401857309300253,0.9315374203275992
EOS-2-42492,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccc6C(F)F)cc5)n34)cn2)n1,PUCCFKLMDAXPLF-UHFFFAOYSA-N,2,1,0.301,32,57,492.493,5.618,6,0.308,0.61,1.0,0.3285672674936605,0.37088787608799945,0.8315999588787609,0.7782622849701871,0.577329346857652
EOS-2-42493,CS(=O)(=O)c1cncc(-c2nnc3cncc(OCCc4ccc(-c5ccc(F)nn5)cn4)n23)c1,WVJYHQDODFACNH-UHFFFAOYSA-N,2,1,0.49,87,838,492.496,2.202,5,0.332,0.63,1.0,0.4084195737098211,0.5165427318209855,0.22894249880063053,0.21267390857377835,0.3416446782263039
EOS-2-42494,COc1cc(-c2cnc(C)nc2)ccc1-c1nnc2cncc(OCc3cccc(-c4cocn4)n3)n12,JXFROEYBTZZZGT-UHFFFAOYSA-N,2,1,0.446,28,667,492.499,4.194,6,0.32,0.57,1.0,0.3454869440065794,0.15844527448427112,0.40540401617435406,0.2472842848331163,0.28915512987458025
EOS-2-42495,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccc(C)nn6)cc5)n34)c2)o1,RKUCTJSFYQVOTL-UHFFFAOYSA-N,2,1,0.489,77,323,492.499,4.194,6,0.32,0.74,1.0,0.5393650195325885,0.3516979644986636,0.33102597491604413,0.21818244123089575,0.36006785004454794
EOS-2-42496,COc1nc(-c2nnc3cncc(OCCc4nc(-c5ccccc5)no4)n23)ccc1-c1cccnc1,GEZXRCIZMQOITG-UHFFFAOYSA-N,2,1,0.419,28,857,492.499,3.928,6,0.308,0.75,1.0,0.3956548557329861,0.1701134260845727,0.12245562332944966,0.10785758344184772,0.19902037214721405
EOS-2-42497,COc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnc(C)o6)cc5)n34)cn2)cn1,DBPDWOCTZLHSLU-UHFFFAOYSA-N,2,1,0.528,77,2,492.499,4.194,6,0.32,0.7,1.0,0.49110753204029883,0.2305702145157974,0.38732780481118495,0.22999623055308066,0.3347504454800905
EOS-2-42498,CCOc1nc(-c2nnc3cncc(OCc4cccc(-c5nnco5)c4)n23)ccc1-c1cccnc1,FHNLKXVAYYUUOX-UHFFFAOYSA-N,2,1,0.396,77,177,492.499,4.276,6,0.304,0.65,1.0,0.41528168048797204,0.1584538414090878,0.34972757179082997,0.25333253375368375,0.2941989068603934
EOS-2-42499,COc1nc(-c2nnc3cncc(OCCc4cccc(-c5cnco5)n4)n23)ccc1-c1ccccn1,FTANMHJGSZYSGV-UHFFFAOYSA-N,2,1,0.438,28,769,492.499,3.928,6,0.308,0.54,0.997,0.4062949763552875,0.12543691316565006,0.19729627852785964,0.13273593310945103,0.21544102528956205
EOS-2-42500,COc1nc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)ccc1-c1ccnn1C,GDRDYPHBXVKDDD-UHFFFAOYSA-N,2,1,0.417,6,843,492.503,3.026,6,0.328,0.6,1.0,0.2654975669933521,0.09915358782811322,0.13352409019258446,0.07119114522650949,0.1423415975601398
EOS-2-42501,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)ccc1-c1cncn1C,KIIPULWPYNRAIT-UHFFFAOYSA-N,2,1,0.417,71,350,492.503,3.026,6,0.328,0.64,1.0,0.32089986978274276,0.12879514769378383,0.27200842985401963,0.17300904667260641,0.22367812350078817
EOS-2-42502,COc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)cn4)n23)cn1,IFTISGZABOYNPR-UHFFFAOYSA-N,2,1,0.429,80,843,492.503,3.026,6,0.328,0.61,1.0,0.30560790898499074,0.1960797752038928,0.2180882050579124,0.12190734014118292,0.2104208073469947
EOS-2-42503,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnnn6C)c5)n34)cc2)cn1,KDSSKFNHZUCNQF-UHFFFAOYSA-N,2,1,0.535,40,190,492.503,3.026,6,0.328,0.69,1.0,0.4358680008224248,0.2354961962853814,0.2180967719827291,0.1541960797752039,0.26091426221643477
EOS-2-42504,COc1cc(-c2nnc3cncc(OCCc4cncc(-c5ccncc5)n4)n23)ccc1-c1nc[nH]n1,CDVUNWTXAOIIOL-UHFFFAOYSA-N,2,1,0.423,35,604,492.503,3.059,6,0.337,0.61,1.0,0.39992118429168666,0.20535775478034404,0.22518161880611337,0.15420464670002057,0.24616630114454116
EOS-2-42505,COc1nc(-c2ccccn2)cnc1COc1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,XXTJZOOALJGGSW-UHFFFAOYSA-N,2,1,0.484,56,415,492.503,3.026,6,0.328,0.51,1.0,0.39566342265780274,0.17881742169830717,0.09523850318689603,0.06266705503392503,0.18309660064423272
EOS-2-42506,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccn5)nn4)n23)nc1,CWFDDQOQWMXIBA-UHFFFAOYSA-N,2,1,0.42,6,826,492.503,3.186,6,0.312,0.63,1.0,0.38005448564183403,0.15064937290110342,0.15485573298608732,0.10371975875539716,0.1973198375711055
EOS-2-42507,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cc2)nc1CO,ZJCLNVQZMPSCFO-UHFFFAOYSA-N,2,1,0.474,40,415,492.503,2.51,6,0.353,0.64,1.0,0.38683949009663493,0.2715286820642862,0.07027448427112604,0.05376602014940717,0.19560216914536357
EOS-2-42508,COc1ccc(-c2cn(C)nn2)cc1COc1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,ZDEUHFPDLRQILG-UHFFFAOYSA-N,2,1,0.356,6,843,492.503,3.026,6,0.328,0.63,1.0,0.16107532040298814,0.08344184771434446,0.30523096429305735,0.18657048865739154,0.18407965526694536
EOS-2-42509,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cccnc5)n4)n23)ccc1-c1cnnn1C,ZAUJDKJEXJHQGP-UHFFFAOYSA-N,2,1,0.427,56,350,492.503,3.026,6,0.328,0.58,1.0,0.18894352683160853,0.13567438832156808,0.26129120690836816,0.17301761359742307,0.18973168391474196
EOS-2-42510,COc1nc(-c2ccc(C)nc2)ccc1-c1nnc2cncc(OCc3ccc(-n4cncn4)nc3)n12,BERLJJMFLOFLFW-UHFFFAOYSA-N,2,1,0.511,6,710,492.503,3.12,6,0.327,0.67,0.999,0.23593310945103146,0.09622369954081283,0.22519018573093003,0.11731546843944897,0.1686656157905558
EOS-2-42511,COc1nc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)ccc1-c1ccccn1,FXNZZQXBHRGVNG-UHFFFAOYSA-N,2,1,0.408,6,350,492.503,3.026,6,0.328,0.55,0.999,0.22189191967651292,0.09916215475292989,0.15486429991090397,0.0894729627852786,0.14134783428140635
EOS-2-42513,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)ccc1F,XUQMTFBJOZEEBV-UHFFFAOYSA-N,2,1,0.528,17,410,492.514,5.702,6,0.284,0.77,1.0,0.8317284627510109,0.6884809128915085,0.8781954629566171,0.8340415324515112,0.8081115927626619
EOS-2-42514,Fc1ccc(-n2cc(COc3cncc4nnc(-c5cccc(OCc6ccccc6)c5)n34)cn2)cc1,RFKXMRGTQWKWNC-UHFFFAOYSA-N,2,1,0.533,79,410,492.514,5.274,6,0.288,0.81,1.0,0.43587656774724143,0.5165512987458022,0.8461808649167295,0.8095315605510246,0.6520350729901995
EOS-2-42515,Cn1cc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c(-c2ccc(F)cc2)n1,UAAPXKGNCAYPAZ-UHFFFAOYSA-N,2,1,0.557,17,960,492.514,5.702,6,0.284,0.83,1.0,0.5999246110616133,0.6393495990679186,0.7863665958467548,0.7634158042629018,0.6972641525597971
EOS-2-42516,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Oc6cccc(F)c6)cc5)n34)cc2)cn1,KROGZBZMGFMGCS-UHFFFAOYSA-N,2,1,0.607,17,960,492.514,5.702,6,0.284,0.8,1.0,0.7032331574258104,0.6736944006579398,0.8976595161400863,0.854473648139264,0.7822651805907751
EOS-2-42517,Cc1csc(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)n1,QAOCUTXDERMZKO-UHFFFAOYSA-N,2,1,0.531,72,22,407.484,3.654,5,0.439,0.83,1.0,0.35688952093756426,0.34185456788431223,0.12500856692481666,0.11732403536426564,0.2352691727777397
EOS-2-42518,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)cs1,CSUBXMYKJHYLAA-UHFFFAOYSA-N,2,1,0.557,55,283,407.484,3.654,5,0.439,0.7,1.0,0.38910972517305187,0.41380816941950516,0.11671578370228222,0.09731169899252964,0.2542363443218422
EOS-2-42519,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2)s1,GNRJBQYJYOPETD-UHFFFAOYSA-N,2,1,0.584,72,256,407.484,3.654,5,0.439,0.71,1.0,0.5498937701322734,0.4494808443561099,0.11943149886916593,0.10569871838804742,0.30612620793639916
EOS-2-42520,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ccsc5)ns4)n23)cn1,GIRMYPDRDNSFSU-UHFFFAOYSA-N,2,1,0.482,51,441,407.484,3.654,5,0.439,0.69,1.0,0.4269155643890069,0.3469004866013296,0.13062846960455074,0.11267219518881502,0.25427917894592555
EOS-2-42521,Cc1nc(COc2cncc3nnc(-c4cc(-c5nccs5)ccn4)n23)cs1,SJLBIVAZQBDNFX-UHFFFAOYSA-N,2,1,0.452,46,122,407.484,3.654,5,0.439,0.76,1.0,0.28703481598245495,0.22555856349804673,0.08113734493866082,0.06428620382427523,0.16450423206085943
EOS-2-42522,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)ns1,QBUHVPIOZOUGEK-UHFFFAOYSA-N,2,1,0.564,16,921,407.484,3.654,5,0.439,0.7,1.0,0.3868480570214516,0.34690905352614626,0.08607189363306147,0.08405866630114454,0.22597191762045096
EOS-2-42523,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)cc5)nc4)n23)cc1,XRCYMIFMUVIIPH-UHFFFAOYSA-N,2,1,0.552,77,755,492.518,4.85,6,0.314,0.69,1.0,0.7750411212391201,0.5628126927558084,0.5884020971831951,0.5664450688780756,0.6231752450140498
EOS-2-42524,COc1cc(-c2nccn2C)c(F)cc1-c1cncc2nnc(-c3ccc(-c4cnc(C)cn4)cc3)n12,SVDIDSYXNHKDJY-UHFFFAOYSA-N,2,1,0.333,42,762,492.518,4.772,6,0.342,0.68,1.0,0.3912685902268522,0.3805942019052841,0.6464344458913028,0.5168340072647523,0.4837828113220478
EOS-2-42525,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnn(C)c6)cn5)n34)cc2F)cn1,PJWBKCIVXBOHTH-UHFFFAOYSA-N,2,1,0.566,41,25,492.518,4.675,6,0.333,0.71,1.0,0.4788482626276472,0.4938575149064492,0.7541892262353506,0.6478051538619697,0.5936750394078542
EOS-2-42526,Cc1c(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ncccc6F)nc5)n34)c2)cnn1C,MQDPEIJPGRFHPD-UHFFFAOYSA-N,2,1,0.443,28,177,492.518,4.675,6,0.333,0.72,1.0,0.5161143855801521,0.4891457062572819,0.5916403947638955,0.5136642450825851,0.5276411829209786
EOS-2-42527,Cc1cnc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)c1,JLBZSZMQAMXSBU-UHFFFAOYSA-N,2,1,0.553,67,755,492.518,4.675,6,0.333,0.72,1.0,0.7750496881639367,0.6015180590775135,0.5947416215475293,0.5568072784593242,0.6320291618120759
EOS-2-42528,COc1cc(-c2ncnn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccc(F)c(C)c4)nc3)n12,MGBYOOUANNCFJH-UHFFFAOYSA-N,2,1,0.333,9,522,492.518,4.772,6,0.342,0.66,1.0,0.2842505654170379,0.3566153793434309,0.6741827153724899,0.5823110136385443,0.4743399184428757
EOS-2-42529,CCn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)ncc2F)cn1,CDZWDAJOALIDPT-UHFFFAOYSA-N,2,1,0.511,40,25,492.518,4.85,6,0.314,0.66,1.0,0.4639675142210952,0.49386608183126585,0.6165187444314989,0.5468268110479062,0.5302947878829416
EOS-2-42530,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(-c5ccccc5)c(F)c4)n23)cc1,HHGZPLDJVOQUAO-UHFFFAOYSA-N,2,1,0.581,77,755,492.518,4.409,6,0.326,0.68,1.0,0.8971455006510863,0.6785775478034405,0.5085069563429512,0.49985436227811664,0.6460210917688987
EOS-2-42531,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccc5F)c4)n23)cc1,ATRALFSAIPZFNW-UHFFFAOYSA-N,2,1,0.478,77,755,492.518,4.85,6,0.314,0.65,1.0,0.7123312315811117,0.5077187992598177,0.6165273113563156,0.6031886094167638,0.6099414879035021
EOS-2-42532,Cn1nc(-c2ccc(F)cc2)cc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1,YZLPEGLAKAEEHO-UHFFFAOYSA-N,2,1,0.553,40,937,492.518,4.409,6,0.326,0.69,1.0,0.7367641011582482,0.6737029675827565,0.572827427866493,0.5468353779727229,0.6325324686450551
EOS-2-42533,Cc1ncc(COc2cncc3nnc(-c4ccc(F)c(-c5ccn(C)n5)c4)n23)c(-c2ccccc2)n1,HSIRDOKLOKYIQS-UHFFFAOYSA-N,2,1,0.468,77,177,492.518,4.675,6,0.333,0.59,1.0,0.685242615310808,0.6015266260023302,0.5561476252484409,0.4998629292029333,0.5856949489411281
EOS-2-42534,COc1nc(-c2nnc3cncc(OCc4cc(=O)n(C)s4)n23)ccc1-c1nc(C)cc(=O)n1C,YZFJYVPVOQYBIE-UHFFFAOYSA-N,2,1,0.402,49,551,492.521,1.603,5,0.347,0.51,0.995,0.24378897950791584,0.1057843876362141,0.016525597971352203,0.005534233431567405,0.09290829963676239
EOS-2-42535,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)nc1C(C)(C)F,PCRLABAWXQMPIM-UHFFFAOYSA-N,2,1,0.305,38,193,492.522,4.31,6,0.35,0.72,0.858,0.1065554108697142,0.17475669933520663,0.17744671372764032,0.13472345966691796,0.14837057089986977
EOS-2-42536,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)ccn1,DNHIOTNYDUHZON-UHFFFAOYSA-N,2,1,0.686,12,650,407.477,4.783,5,0.405,0.79,1.0,0.9558460694948941,0.7837622507024878,0.7009971900486601,0.6621975875539716,0.7757007744500034
EOS-2-42537,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(C)c5)nc4)n23)cc1,ZFOHTTOVIYHQMR-UHFFFAOYSA-N,2,1,0.618,1,230,407.477,5.049,5,0.408,0.92,1.0,0.80064765951614,0.4494894112809266,0.7726766499897197,0.6883438420944418,0.6777893907203071
EOS-2-42538,Cn1cc(-c2nsc(COc3cncc4nnc(-c5cc(-c6ccccc6C#N)ccn5)n34)n2)cn1,DRWPRGXUAFUOJZ-UHFFFAOYSA-N,2,1,0.39,6,414,492.528,3.556,6,0.342,0.6,1.0,0.31609382496059213,0.2767630731272702,0.20436399150161058,0.22692070454389693,0.25603539853334245
EOS-2-42539,N#Cc1nc(-c2ccc(-c3cc[nH]n3)s2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,GNZFHJOSDBQGCA-UHFFFAOYSA-N,2,1,0.411,18,481,492.528,3.588,6,0.353,0.58,0.987,0.6058614899595641,0.47592694126516344,0.21458433280789527,0.197544719347543,0.37347937084504146
EOS-2-42540,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccns4)n23)nn1C,TZSMVTVUYLWOCF-UHFFFAOYSA-N,2,1,0.429,31,569,407.463,2.444,5,0.426,0.61,1.0,0.07201357000890961,0.029812898362003976,0.03018984305393736,0.019481187033102598,0.03787437461448838
EOS-2-42541,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5cncs5)n(C)n4)n23)cn1,WSRPCDZVMDGZDI-UHFFFAOYSA-N,2,1,0.476,31,569,407.463,2.003,5,0.424,0.62,1.0,0.14443835240901925,0.03281988897265438,0.03521862792132136,0.025229593585086696,0.05942661572202042
EOS-2-42542,Fc1cnsc1COc1cncc2nnc(-c3cccc(-c4ncn(CCC5CCCO5)n4)c3)n12,BFENIRKDMNERMT-UHFFFAOYSA-N,2,1,0.416,15,931,492.54,3.794,6,0.322,0.57,0.999,0.3800630525666507,0.31273559043245835,0.022770886162703036,0.08768247549859502,0.20081300116510178
EOS-2-42543,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cc7ccncc7nn6)c5)n34)cc2)cn1,OTPRNVMZJOBSGD-UHFFFAOYSA-N,2,1,0.268,69,958,492.546,5.834,7,0.305,0.65,1.0,0.18598793776985814,0.1828524432869577,0.7423326022890823,0.7376379274895484,0.4622027277088616
EOS-2-42544,Cc1ncncc1-c1cccc2c(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nnc2c1,DPYUUYVINMIOFZ-UHFFFAOYSA-N,2,1,0.321,21,810,492.546,5.786,7,0.307,0.73,0.995,0.16108388732780482,0.15468439448975396,0.6280755260091837,0.6678688917826057,0.402928174902337
EOS-2-42545,CC(C)n1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)n1C,SXEYPBGNOSANBB-UHFFFAOYSA-N,2,1,0.38,6,843,492.547,4.005,6,0.328,0.65,0.269,0.19171064354739223,0.13209341374820094,0.17076451237063944,0.10372832568021383,0.1495742238366116
EOS-2-42546,Cc1ccc(-c2ccc(-c3nnc4cncc(C=Cc5ccccc5)n34)c(F)c2)cn1,CVGOURCKXFBZKG-UHFFFAOYSA-N,2,1,0.363,79,347,407.452,5.471,5,0.396,0.81,1.0,0.4107583441847714,0.5259063806456035,0.8703310259749161,0.8381193886642451,0.661278784867384
EOS-2-42547,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)cc5)n34)cc2)n1,KJTUXHLGIHVXJJ-UHFFFAOYSA-N,2,1,0.551,43,230,407.437,3.642,5,0.441,0.76,1.0,0.7519189911589336,0.5719450346103763,0.7726852169145364,0.6941179494208759,0.6976667980261805
EOS-2-42548,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)cc5)n34)cc2)cn1,HZGVBKDFSJZZRV-UHFFFAOYSA-N,2,1,0.566,89,230,407.437,3.642,5,0.441,0.8,1.0,0.6793314371873073,0.5583064903022411,0.8204629566170927,0.7480724419162498,0.7015433315057227
EOS-2-42549,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)c2)cn1,SEZNMKAETNMRKA-UHFFFAOYSA-N,2,1,0.557,89,230,407.437,3.642,5,0.441,0.77,1.0,0.709512713316428,0.5923857172229456,0.8133352751696251,0.7454680967719828,0.7151754506202453
EOS-2-42550,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(C#N)c5)n34)c2)cn1,DYAWLDJPLMUJTI-UHFFFAOYSA-N,2,1,0.524,43,230,407.437,3.642,5,0.441,0.81,1.0,0.5446593790692893,0.4405969433212254,0.7967582756493728,0.7322664656294976,0.6285702659173463
EOS-2-42551,COc1ncncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)cc1,VVCBJYRABOEYMT-UHFFFAOYSA-N,2,1,0.512,41,190,492.564,5.564,6,0.288,0.66,1.0,0.7249160441367967,0.4670773079295456,0.7321036940579809,0.6244345829621,0.6371329072716058
EOS-2-42552,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)s1,FVWKTCVRDMSWDN-UHFFFAOYSA-N,2,1,0.542,12,47,492.564,5.564,6,0.288,0.77,1.0,0.6030258378452471,0.4582448084435611,0.5257778767733534,0.4814269069974642,0.5171188575149065
EOS-2-42553,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)ccn2)s1,NIPBUVNYMAINNG-UHFFFAOYSA-N,2,1,0.517,17,410,492.564,5.99,6,0.27,0.71,1.0,0.5086611609896512,0.38508327050921803,0.6165358782811322,0.5401874443149887,0.5126169385237476
EOS-2-42554,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccs4)n23)cc1F,AERYMJBMOZMKDS-UHFFFAOYSA-N,2,1,0.654,36,79,407.434,3.366,5,0.444,0.65,1.0,0.45689980124734425,0.5490970461243232,0.45964121718867795,0.4504232060859434,0.4790153176615722
EOS-2-42555,Cn1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1-c1cncs1,KMWZFRHXZBMOTA-UHFFFAOYSA-N,2,1,0.518,95,998,407.434,3.366,5,0.444,0.66,1.0,0.38007161949146734,0.2767716400520869,0.3722328832842163,0.4028339387293537,0.3579775203892811
EOS-2-42556,FCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1,NHYQXPPFRYEEEM-UHFFFAOYSA-N,2,1,0.542,16,256,407.434,3.617,5,0.428,0.64,1.0,0.582525186758961,0.41381673634432187,0.4307535467068741,0.39979268041943666,0.45672203755739843
EOS-2-42557,Cc1c[nH]c(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)n1,GHBXQUSMISEZJW-UHFFFAOYSA-N,2,1,0.524,16,256,407.434,3.664,5,0.478,0.61,1.0,0.6730518812966897,0.6545644575423206,0.4420361866904256,0.4093019669659379,0.5447386231238435
EOS-2-42558,Fc1cc(-c2nnc3cncc(OCCc4cncs4)n23)ccc1-c1cc[nH]n1,HRKMAVLAINIHPR-UHFFFAOYSA-N,2,1,0.558,35,619,407.434,3.399,5,0.464,0.63,1.0,0.8270509218011103,0.7794188198204373,0.44204475361524226,0.45678843122472756,0.6263257316153793
EOS-2-42559,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncs4)n23)c(F)c1,KQCDIJUZHVEPMD-UHFFFAOYSA-N,2,1,0.488,16,256,407.434,3.366,5,0.444,0.72,1.0,0.6225669933520663,0.5876225070248784,0.5191299431156192,0.46927900760742924,0.5496496127749982
EOS-2-42560,Cn1nc(COc2cncc3nnc(-c4ccccc4F)n23)cc1-c1cncs1,ZCWUKVSKIWMNLG-UHFFFAOYSA-N,2,1,0.556,4,534,407.434,3.366,5,0.444,0.66,1.0,0.3891182920978685,0.5165598656706188,0.32718799259817694,0.34864813926392985,0.3953785724076485
EOS-2-42561,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccc2F)cn1,FTSYQJXNSNDMBZ-UHFFFAOYSA-N,2,1,0.55,16,394,407.434,3.366,5,0.444,0.69,1.0,0.5574497978205744,0.587631073949695,0.5357754780344047,0.49987149612775,0.545181961483106
EOS-2-42562,Cc1cccc(-c2nc(C)ncc2-c2cccc(-c3nnc4cncc(OCc5cncs5)n34)c2)n1,WBUIFHUBCXRAOT-UHFFFAOYSA-N,2,1,0.484,28,667,492.568,4.963,6,0.321,0.68,0.999,0.3615327941881982,0.2818261256939209,0.3125728188609417,0.24157871290521554,0.2993776129120691
EOS-2-42563,Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)n2)nn1,MXNWWADITCHXEE-UHFFFAOYSA-N,2,1,0.489,81,609,492.568,4.963,6,0.321,0.66,0.999,0.3661675005140155,0.39465252552943597,0.2980861489959564,0.2237338085120965,0.3206599958878761
EOS-2-42564,COc1cc(-c2nnc(C)s2)ccc1-c1nnc2cncc(-c3ccc(-c4cnc(C)nc4)cc3)n12,JPDROPDYMNWNTK-UHFFFAOYSA-N,2,1,0.349,9,98,492.568,5.059,6,0.329,0.66,1.0,0.14444691933383594,0.057612569392091015,0.37613083407580017,0.2772513878418203,0.21386042766088686
EOS-2-42565,CCCOc1cc(-c2cscn2)ccc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cn3)n12,NDEKIISXIDPVIQ-UHFFFAOYSA-N,2,1,0.291,42,170,492.568,5.223,6,0.299,0.62,0.995,0.13890411897745186,0.09292543348639572,0.43848947981632513,0.3714618600507162,0.2604452230827222
EOS-2-42566,CCn1nc(C2CC2)nc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnsn5)cc4)n23)cc1,ZGLIIUQWOYPHDH-UHFFFAOYSA-N,2,1,0.295,9,508,492.572,4.528,7,0.333,0.6,1.0,0.05886334041532452,0.04997087245562333,0.012713316427935028,0.0444966074977726,0.04151103419916387
EOS-2-42567,Cn1c(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)n[nH]c1=O,VQUMEXPILSPKKY-UHFFFAOYSA-N,2,1,0.449,55,45,407.419,1.311,5,0.462,0.6,1.0,0.34780858063189635,0.20536632170516073,0.019926667123569324,0.017270920430402303,0.1475931224727572
EOS-2-42568,OCc1nc(-c2cncc(-c3nnc4cncc(OCc5ccsc5)n34)c2)no1,DHYZAQOVCLEYPG-UHFFFAOYSA-N,2,1,0.471,2,131,407.415,2.369,5,0.451,0.74,1.0,0.3636830923171818,0.297554999657323,0.11672435062709889,0.1037368926050305,0.22042483380165856
EOS-2-42569,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(C#N)c5)n34)cc2F)cn1,FGBLDATZVPWBLL-UHFFFAOYSA-N,2,1,0.375,96,478,407.412,4.235,5,0.444,0.84,1.0,0.38912685902268523,0.5259149475704201,0.8857857583441848,0.8752227400452334,0.6690125762456309
EOS-2-42570,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn6ccccc56)n34)cc2)nc1,WNMFXMLIDZTLBT-UHFFFAOYSA-N,2,1,0.325,3,787,407.412,4.307,6,0.437,0.76,1.0,0.2571619491467343,0.3227417586183264,0.739608320197382,0.7987886368309232,0.5295751661983414
EOS-2-42571,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5C#N)n34)cc2)cn1,RVDYNYPLPXFBQG-UHFFFAOYSA-N,2,1,0.338,96,558,407.412,4.235,5,0.444,0.79,1.0,0.37528270851895,0.5349102186279213,0.847714344458913,0.842043040230279,0.6499875779590158
EOS-2-42572,Cc1ncc(-c2nnc3cncc(-c4ccc(C#N)cc4)n23)c(-c2ccc(F)cc2)n1,NNJZEKGOTJDGHS-UHFFFAOYSA-N,2,1,0.421,96,3,407.412,4.235,5,0.444,0.81,1.0,0.3568980878623809,0.5583150572270578,0.7944366390240559,0.8279504489068604,0.6344000582550888
EOS-2-42573,N#Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5ccccc5)cc4)n23)c(F)c1,JUYNPFSSHZDIFK-UHFFFAOYSA-N,2,1,0.39,79,590,407.408,5.261,5,0.406,0.9,1.0,0.5714224521965595,0.792346309368789,0.9509543554245768,0.954612432321294,0.8173338873278048
EOS-2-42574,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)cc1F,DJLJWTMDPJGZKQ-UHFFFAOYSA-N,2,1,0.714,13,15,407.405,4.985,5,0.42,0.7,1.0,0.8808512096497841,0.8122472757179083,0.9311647590980742,0.9307449797820574,0.8887520560619561
EOS-2-42575,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)n[nH]1,ZEXXGGOJTYKOEI-UHFFFAOYSA-N,2,1,0.301,9,537,407.401,2.423,6,0.454,0.71,1.0,0.20274484271126036,0.1506579398259201,0.25749605921458435,0.27406449181001985,0.2212408333904462
EOS-2-42576,c1coc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)cn2)c1,XSNLVKMWBCTXMV-UHFFFAOYSA-N,2,1,0.28,70,37,407.397,3.089,6,0.438,0.72,1.0,0.011873757795901583,0.011753820848468233,0.257504626139401,0.28017270920430404,0.1403262284970187
EOS-2-42577,c1cc(-c2nnco2)nc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,LMXJHAAXGPLPBO-UHFFFAOYSA-N,2,1,0.303,38,865,407.397,3.293,6,0.472,0.6,1.0,0.1716726064012062,0.1660955383455555,0.27965869371530394,0.29814611746967307,0.22889323898293468
EOS-2-42578,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cn5)n34)cc2)c1,TUBFQUVVKIBGPG-UHFFFAOYSA-N,2,1,0.293,38,193,407.397,3.293,6,0.472,0.72,1.0,0.1943492563909259,0.1430676444383524,0.34191453635802893,0.38110821739428413,0.2651099136453978
EOS-2-42579,N#Cc1cccc(-c2nccnc2-c2nnc3cncc(OCc4cccnn4)n23)c1,BMVATYPAJYXBNI-UHFFFAOYSA-N,2,1,0.392,6,587,407.397,2.489,5,0.431,0.72,1.0,0.3956719895826194,0.312744157357275,0.2720169967788363,0.2981546843944898,0.31964695702830515
EOS-2-42580,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)n[nH]1,DJZNODKEVQJPCT-UHFFFAOYSA-N,2,1,0.299,38,154,407.397,3.293,6,0.472,0.64,1.0,0.20839901309026113,0.17012199300938935,0.35718079638133093,0.3519549722431636,0.27191419368103625
EOS-2-42581,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)cn1,DKGFQGYXGVWCHP-UHFFFAOYSA-N,2,1,0.438,7,815,407.397,2.489,5,0.431,0.7,1.0,0.5471266534164896,0.567387430607909,0.4160098690973888,0.3486567061887465,0.46979516482763345
EOS-2-42582,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nc1,CMWBBMYPEUJIEZ-UHFFFAOYSA-N,2,1,0.489,7,242,407.397,2.489,5,0.431,0.81,1.0,0.5112312384346515,0.562821259680625,0.3497361387156466,0.29816325131930643,0.4304879720375574
EOS-2-42583,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnon6)cc5)n34)cn2)n[nH]1,SXJAKCDVQLCYMU-UHFFFAOYSA-N,2,1,0.267,38,339,407.397,3.293,6,0.472,0.64,1.0,0.16645534918785554,0.1430762113631691,0.38733637173600166,0.39664861901171955,0.2733791378246865
EOS-2-42584,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)cn1,QKVCWWUXGRPGHF-UHFFFAOYSA-N,2,1,0.494,4,205,407.397,2.489,5,0.431,0.68,1.0,0.5524724145020903,0.5628298266054417,0.42723254060722365,0.36503666643821536,0.47689286203824277
EOS-2-42585,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nn4)n23)cc1,QHFOFUGWUGZSQW-UHFFFAOYSA-N,2,1,0.518,89,731,407.397,2.489,5,0.431,0.67,1.0,0.7279144678226304,0.6834692618737578,0.4736567061887465,0.43486567061887466,0.5799765266260023
EOS-2-42586,c1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cn5)n34)n2)cc1,HTHLPOBBQZENSP-UHFFFAOYSA-N,2,1,0.299,30,301,407.397,3.293,6,0.472,0.7,0.995,0.16109245425262148,0.170130559934206,0.15487286683572066,0.20046604071002672,0.17164048043314373
EOS-2-42587,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnnc5)cn4)n23)cc1,YWEQNLGBQBMQSI-UHFFFAOYSA-N,2,1,0.525,51,943,407.397,2.489,5,0.431,0.71,1.0,0.7123397985059283,0.7451596874785826,0.48417688986361457,0.44096532108834213,0.5956604242341169
EOS-2-42588,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)o2)cc1,AYWHMWXEHLPETG-UHFFFAOYSA-N,2,1,0.352,9,641,407.397,3.293,6,0.472,0.66,1.0,0.1716811733260229,0.16610410527037214,0.1938695086011925,0.23278904804331438,0.1911109588102255
EOS-2-42589,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5nncs5)n34)nn2)cn1,HWIHTXGDKCKOOO-UHFFFAOYSA-N,2,1,0.396,53,670,407.394,2.213,5,0.404,0.68,0.999,0.40630354328010415,0.47593550818998015,0.1107874717291481,0.1440528407922692,0.2842698409978754
EOS-2-42590,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)co1,XRKKHTMMHXYXTK-UHFFFAOYSA-N,2,1,0.314,32,174,407.393,4.163,6,0.429,0.76,1.0,0.19714207388115962,0.15066650675073676,0.5357840449592214,0.5136728120074018,0.3493163593996299
EOS-2-42591,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cc2)c1,DGSFVWHSEIIKMS-UHFFFAOYSA-N,2,1,0.314,38,787,407.393,4.163,6,0.429,0.77,1.0,0.19435782331574258,0.12880371461860052,0.4807072853128641,0.4846395038037146,0.32212708176273047
EOS-2-42592,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)n1,HLJHLAFLUXYSDO-UHFFFAOYSA-N,2,1,0.328,69,894,407.393,4.163,6,0.429,0.72,1.0,0.20546912480296073,0.1506750736755534,0.515651771640052,0.48143547392228087,0.33830786101021176
EOS-2-42593,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)o1,OFYWOPVSHPIVHF-UHFFFAOYSA-N,2,1,0.329,69,894,407.393,4.163,6,0.429,0.75,1.0,0.2386402576930985,0.1701391268590227,0.5789356452607772,0.5533034062093071,0.38525460900555136
EOS-2-42594,c1cc(-c2nnco2)cc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)c1,MTAGMYZZCASBJI-UHFFFAOYSA-N,2,1,0.324,69,152,407.393,4.163,6,0.429,0.68,1.0,0.20547769172777738,0.12544548009046672,0.4977640326228497,0.47542149270098005,0.3260271742855185
EOS-2-42595,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)co1,YGEPKDBMOJUZRD-UHFFFAOYSA-N,2,1,0.328,69,894,407.393,4.163,6,0.429,0.7,1.0,0.21930470838187924,0.1623089575765883,0.5561561921732575,0.5368292097868549,0.368649766979645
EOS-2-42596,c1ccc(-c2nocc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1,FTJQZUZFZTZORM-UHFFFAOYSA-N,2,1,0.343,69,220,407.393,4.163,6,0.429,0.69,1.0,0.14162840106915223,0.08979850592831197,0.40180590775135355,0.45043177301076004,0.27091614693989446
EOS-2-42597,c1coc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)c1,UNNAZRXZOHTDBO-UHFFFAOYSA-N,2,1,0.314,38,57,407.393,4.163,6,0.429,0.82,1.0,0.19171921047220888,0.1467171544102529,0.4977725995476664,0.4754300596257967,0.3279097560139812
EOS-2-42598,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)nc2)c1,FJSHWJLTPILKHA-UHFFFAOYSA-N,2,1,0.313,32,687,407.393,4.163,6,0.429,0.72,1.0,0.09184600095949558,0.07987800699061065,0.4420533205400589,0.44414365019532587,0.26448024467137277
EOS-2-42599,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)o1,WQDVYAYAERNSHZ-UHFFFAOYSA-N,2,1,0.329,69,894,407.393,4.163,6,0.429,0.75,1.0,0.23864882461791515,0.17014769378383934,0.5789442121855939,0.5533119731341237,0.385263175930368
EOS-2-42600,c1cc(-c2cnco2)cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,NAFKANDVJJDNHM-UHFFFAOYSA-N,2,1,0.319,69,38,407.393,4.163,6,0.429,0.77,1.0,0.2468045370433829,0.1254540470152834,0.5659653210883421,0.5468439448975396,0.371266962511137
EOS-2-42601,c1coc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cc2)n1,FMOAREXJMINRAR-UHFFFAOYSA-N,2,1,0.328,69,894,407.393,4.163,6,0.429,0.72,1.0,0.20548625865259407,0.1506836406003701,0.5156603385648687,0.4814440408470975,0.3383185696662326
EOS-2-42602,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)o2)cc1,WHNPPSPRPMXUNU-UHFFFAOYSA-N,2,1,0.368,93,641,407.393,4.163,6,0.429,0.84,1.0,0.1859965046946748,0.13210198067301762,0.3015557535467069,0.33277362757864437,0.23810696662326092
EOS-2-42603,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cn2)c1,SKSJHYFJOIGGGF-UHFFFAOYSA-N,2,1,0.319,32,191,407.393,4.163,6,0.429,0.8,1.0,0.20003769446919334,0.11229525049688165,0.4770320745665136,0.4537728736892605,0.31078447330546227
EOS-2-42604,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cn2)c1,SNAVIJTWKCSZQU-UHFFFAOYSA-N,2,1,0.295,32,339,407.393,4.163,6,0.429,0.81,1.0,0.19715064080597627,0.13211054759783428,0.48071585223768076,0.472457336714413,0.3206085943389761
EOS-2-42606,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)cn1,IUJSIIMWQQVXAR-UHFFFAOYSA-N,2,1,0.429,53,466,407.369,1.73,5,0.387,0.58,1.0,0.45008052909327667,0.3127527242820917,0.10821739428414776,0.09534130628469605,0.24159798848605304
EOS-2-42607,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccn(C)n5)n34)nc2F)no1,XKFGZYMXPSORMV-UHFFFAOYSA-N,2,1,0.387,31,662,407.369,1.996,5,0.403,0.66,1.0,0.32594578849976014,0.35662394626824756,0.06211877184565828,0.04450517442258927,0.19729842025906383
EOS-2-42608,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncno5)c(F)n4)n23)nn1C,BAXFNYDXURAOGR-UHFFFAOYSA-N,2,1,0.387,31,662,407.369,1.996,5,0.403,0.59,0.844,0.32857583441847715,0.3273336303200603,0.08363032006031115,0.058160852580357754,0.1994251593448016
EOS-2-42609,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)nn2C)o1,AJMUJEQMHTXFNU-UHFFFAOYSA-N,2,1,0.391,53,105,407.369,1.996,5,0.43,0.72,0.978,0.3234014118292098,0.20088582002604344,0.08114591186347749,0.08064046329929409,0.1715184017545062
EOS-2-42610,Cc1c(F)cc(F)cc1-c1nnc2cncc(-c3cnn(-c4ccc(F)cn4)c3)n12,DRLJZQQMHAPBON-UHFFFAOYSA-N,2,1,0.314,45,575,407.359,3.765,5,0.455,0.71,1.0,0.027097183195120278,0.23550476321019806,0.8496076348433966,0.8644027140017819,0.4941530738126242
EOS-2-42611,Cn1cnc(-c2ccc(F)nc2)c1-c1cncc2nnc(-c3ccc(F)cc3F)n12,UVKYFQGMTLFBRJ-UHFFFAOYSA-N,2,1,0.385,45,575,407.359,3.671,5,0.427,0.74,0.851,0.2112003975053115,0.44060551024604205,0.8092060174079913,0.8529401685970804,0.5784880234391063
EOS-2-42612,Cn1c(-c2cccc(F)c2F)nnc1-c1cncc2nnc(-c3ccc(F)cc3)n12,ZSPRBWIQOPGULL-UHFFFAOYSA-N,2,1,0.429,22,311,407.359,3.671,5,0.456,0.81,1.0,0.28425913234185457,0.5970118566239463,0.6984956480021931,0.8240267973408265,0.6009483585772051
EOS-2-42613,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cc1,GQNMLIKTBVBPDO-UHFFFAOYSA-N,2,1,0.395,22,243,407.359,4.116,5,0.448,0.69,0.682,0.016748338016585568,0.28183469261873756,0.9178774587074224,0.9070060311150709,0.5308666301144541
EOS-2-42614,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,LVEUXZODQBRNAD-UHFFFAOYSA-N,2,1,0.352,61,537,407.359,4.262,5,0.483,0.74,1.0,0.39776231923788635,0.4365276540333082,0.9792680419436639,0.9583904461654444,0.6929871153450757
EOS-2-42615,Cc1cc(-c2nnc3cncc(-c4cnn(-c5ccc(F)c(F)c5)c4)n23)ncc1F,IXXPNJUZULDYDL-UHFFFAOYSA-N,2,1,0.308,45,575,407.359,3.765,5,0.455,0.73,1.0,0.04582448084435611,0.16231752450140496,0.8880902611198684,0.897333972997053,0.49839155986567063
EOS-2-42616,Fc1ccc(-c2nnc3cncc(-c4ccc5ccccc5n4)n23)c(OC(F)F)c1,JZJWMRRNSBIECV-UHFFFAOYSA-N,2,1,0.371,96,140,407.355,4.747,5,0.43,0.76,0.998,0.6640480433143718,0.8312658488109108,0.9549893770132273,0.9608063189637448,0.8527773970255637
EOS-2-42617,Fc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4ccoc4)cn3)n12,OWTRPOOWKHTXDK-UHFFFAOYSA-N,2,1,0.348,96,680,407.355,5.19,5,0.41,0.76,1.0,0.35217771228839695,0.5165684325954355,0.9740079501062299,0.9709238571722295,0.703419488040573
EOS-2-42618,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(F)c(F)c5F)n34)cc2)o1,JEDYQOXVUROIAZ-UHFFFAOYSA-N,2,1,0.355,96,558,407.355,4.839,5,0.401,0.82,1.0,0.452445000342677,0.6737115345075732,0.9583904461654444,0.9466194914673429,0.7577916181207595
EOS-2-42619,Fc1ccc(-c2occc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,URWSZZVPTTUWJY-UHFFFAOYSA-N,2,1,0.397,96,46,407.355,5.19,5,0.41,0.67,0.844,0.33605475978342814,0.5031012267836338,0.9592985401960112,0.9532674251250771,0.6879304879720376
EOS-2-42620,COc1nc(-c2nnc3cncc(OCc4nnn(C)n4)n23)ccc1-c1ncon1,KNNMIQJHADECSU-UHFFFAOYSA-N,2,1,0.365,92,105,407.354,0.347,5,0.381,0.54,0.999,0.20004626139401,0.09293400041121239,0.003589541498183812,0.0005568501130834076,0.07428166335412241
EOS-2-42621,Fc1ccn(-c2cccc(COc3cncc4nnc(-c5nccnc5F)n34)n2)n1,HGNGDDJAIIGLCA-UHFFFAOYSA-N,2,1,0.413,46,128,407.344,2.019,5,0.435,0.55,0.999,0.2495202522102666,0.23057878144061408,0.1870588033719416,0.20940134329381124,0.21913979507915837
EOS-2-42622,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)cn1,VOOMNLKKOHNNDZ-UHFFFAOYSA-N,2,1,0.542,47,6,407.344,2.224,5,0.441,0.75,1.0,0.8392330888904119,0.7031988897265438,0.5760400246727435,0.5664536358028922,0.6712314097731478
EOS-2-42623,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)n4)n23)c(F)c1,RPFBLHXTGSSFBI-UHFFFAOYSA-N,2,1,0.517,4,10,407.344,2.224,5,0.471,0.65,1.0,0.6114471249400315,0.6737201014323898,0.40883935302583785,0.4599924611061613,0.5384997601261051
EOS-2-42624,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c(F)c1,STOOLHQHQKHTBR-UHFFFAOYSA-N,2,1,0.446,55,526,407.344,2.224,5,0.471,0.6,1.0,0.6310054142964842,0.5876396408745117,0.3908745116852855,0.3908145432115688,0.5000835275169625
EOS-2-42625,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)nc1,NQWPPZLPIPBFAG-UHFFFAOYSA-N,2,1,0.573,47,6,407.344,2.224,5,0.471,0.75,1.0,0.6515403330820368,0.6834778287985744,0.5156689054896855,0.5303183469261874,0.5952513535741211
EOS-2-42626,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)nc1F,MVUFURLRAWESQF-UHFFFAOYSA-N,2,1,0.452,4,617,407.344,2.224,5,0.441,0.59,0.999,0.5344733054622712,0.582576588307861,0.4841854567884312,0.4567969981495442,0.5145080871770269
EOS-2-42627,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1F,JBXYJIBYSJAUKC-UHFFFAOYSA-N,2,1,0.53,47,499,407.344,2.224,5,0.471,0.7,1.0,0.6941436501953259,0.597020423548763,0.562435748063875,0.5437769858131725,0.5993442019052841
EOS-2-42628,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4F)n23)c1,OMPUMEQPTICKQL-UHFFFAOYSA-N,2,1,0.5,16,6,407.344,2.224,5,0.471,0.75,1.0,0.8033291069837571,0.6737286683572065,0.5692635871427593,0.5791755191556439,0.6563742204098417
EOS-2-42629,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4)n23)cn1,DACLANWGOMJWAT-UHFFFAOYSA-N,2,1,0.357,61,499,407.344,2.635,5,0.472,0.82,1.0,0.4886659584675485,0.530249811527654,0.6606041395380714,0.6216074977725995,0.5752818518264684
EOS-2-42630,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5nncn5F)n34)cn2)ccn1,PORLSSFPAUYQRT-UHFFFAOYSA-N,2,1,0.429,55,875,407.344,2.29,5,0.408,0.65,1.0,0.4762867521074635,0.5583236241518744,0.35344561716126377,0.38111678431910084,0.44229319443492565
EOS-2-42631,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)c(F)n4)n23)c1,MOYSPTCUBXEWIF-UHFFFAOYSA-N,2,1,0.447,46,223,407.344,2.224,5,0.441,0.55,0.8,0.44513741347405933,0.4759440751147968,0.43463436364882463,0.45378144061407716,0.45237432321293947
EOS-2-42632,Fc1cc(F)c(-c2cncc(-c3nnc4cncc(OCc5ncco5)n34)c2)cn1,COJUCZVEHPATTO-UHFFFAOYSA-N,2,1,0.593,2,419,407.34,3.094,5,0.41,0.69,1.0,0.5944503461037626,0.5773079295456103,0.6684257418956892,0.6332499485984511,0.6183584915358782
EOS-2-42633,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)nc1,QAHPLNHCMWRXBH-UHFFFAOYSA-N,2,1,0.58,4,712,407.34,3.094,5,0.438,0.74,1.0,0.7310156946062641,0.6639195394421219,0.6632084846823384,0.6449181001987526,0.6757654547323693
EOS-2-42634,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)c(F)c1,KRXZZQQTAGQCPE-UHFFFAOYSA-N,2,1,0.554,73,665,407.34,3.094,5,0.438,0.71,1.0,0.7807809608662875,0.7081420053457611,0.6308597765746008,0.630131587965184,0.6874785826879584
EOS-2-42635,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)n1,LJYZGVODBNRUBL-UHFFFAOYSA-N,2,1,0.541,4,554,407.34,3.094,5,0.41,0.7,1.0,0.7637070797066685,0.634903365088068,0.6371050647659516,0.6129463367829484,0.6621654615859092
EOS-2-42636,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)c(F)c1,IZSWPINGFGWZBE-UHFFFAOYSA-N,2,1,0.529,34,10,407.34,3.094,5,0.438,0.6,1.0,0.6763244465766568,0.6982643410321431,0.5624443149886916,0.5758172846275101,0.6282125968062504
EOS-2-42637,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccccc5F)n34)no2)nc1,HDLNUYDXVVVVOJ-UHFFFAOYSA-N,2,1,0.512,73,446,407.34,3.094,5,0.438,0.73,1.0,0.5972602974436296,0.6250685353985334,0.372241450209033,0.45680556507436093,0.5128439620313892
EOS-2-42638,Fc1cc(-c2nnco2)ccc1COc1cncc2nnc(-c3ncccc3F)n12,WYIVCTKUBDSDIK-UHFFFAOYSA-N,2,1,0.449,54,389,407.34,3.094,5,0.438,0.73,1.0,0.7807895277911041,0.5673959975327256,0.6165444452059489,0.6186861764101158,0.6458540367349735
EOS-2-42639,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1F,KWRLHGJJIMNLJS-UHFFFAOYSA-N,2,1,0.537,72,22,407.34,3.094,5,0.438,0.7,1.0,0.8006562264409568,0.6590877938455212,0.6958056336097594,0.6507007744500034,0.7015626070865602
EOS-2-42640,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)no4)n23)cc1F,ILKUSVVFJRVOOQ-UHFFFAOYSA-N,2,1,0.542,73,401,407.34,3.094,5,0.438,0.77,1.0,0.7547375094236173,0.7538979507915838,0.5085155232677678,0.5437855527379891,0.6402341340552395
EOS-2-42641,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cccnc5)n4)n23)cc1F,SKTNNGJRZVDEML-UHFFFAOYSA-N,2,1,0.518,73,756,407.34,3.094,5,0.438,0.78,1.0,0.7547460763484339,0.6785861147282571,0.5120279624426016,0.5437941196628059,0.6222885682955246
EOS-2-42642,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5cnoc5)nc4)n23)c1,LXWBNCATQYMUGN-UHFFFAOYSA-N,2,1,0.482,55,879,407.34,3.094,5,0.41,0.65,1.0,0.712348365430745,0.6063926392981975,0.7010057569734768,0.6563121102049209,0.6690147179768351
EOS-2-42643,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)cc1F,GFYMCHUCYDQXOE-UHFFFAOYSA-N,2,1,0.595,54,294,407.34,3.094,5,0.438,0.74,1.0,0.8137978891097252,0.6206737029675827,0.7035758344184772,0.6796569803303406,0.7044261017065314
EOS-2-42644,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)nc4)n23)nc1,ZIDQNGXWTICNEG-UHFFFAOYSA-N,2,1,0.346,70,776,407.34,3.505,5,0.436,0.74,1.0,0.44514598039887604,0.46708587485436226,0.742341169213899,0.6995922143787267,0.588541309711466
EOS-2-42645,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cccnc5)n4)n23)c(F)c1,UGUBZEWFNRTFCN-UHFFFAOYSA-N,2,1,0.512,73,446,407.34,3.094,5,0.438,0.74,1.0,0.6084829689534644,0.6393581659927352,0.46682030018504556,0.5168425741895689,0.5578760023302035
EOS-2-42646,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)cc1,NBOSTTDGUNDSOR-UHFFFAOYSA-N,2,1,0.493,96,121,407.34,3.505,5,0.436,0.8,1.0,0.6669350969775889,0.6393667329175519,0.7797786306627373,0.7402422726338154,0.7065806832979233
EOS-2-42647,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(F)n4)n23)cc1,KDUWAWYJKDINDE-UHFFFAOYSA-N,2,1,0.542,46,223,407.34,3.094,5,0.41,0.74,1.0,0.7519275580837502,0.5719536015351929,0.5692721540675759,0.5883249948598451,0.620369577136591
EOS-2-42648,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4cnco4)c(F)n3)n12,BXKZCWADAABLAO-UHFFFAOYSA-N,2,1,0.42,46,119,407.34,3.094,5,0.41,0.69,1.0,0.8190237132478926,0.5825851552326777,0.6713299294085395,0.6332585155232677,0.6765493283530944
EOS-2-42649,Fc1cc(F)cc(-c2nnc3cncc(OCc4cnc(-c5cnco5)nc4)n23)c1,BDNMGPKHKWRIHE-UHFFFAOYSA-N,2,1,0.605,73,772,407.34,3.094,5,0.438,0.74,1.0,0.8437735590432458,0.6737372352820231,0.6045678843122473,0.597483037488863,0.6798904290315948
EOS-2-42650,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)o4)n23)c(F)c1,VMPKYSBDKHGBEP-UHFFFAOYSA-N,2,1,0.536,55,540,407.34,3.094,5,0.438,0.66,1.0,0.8684977040641492,0.827753409636077,0.5592317181824412,0.5631982043725584,0.7046702590638064
EOS-2-42651,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnoc5)cn4)n23)cc1F,DHPFGKQEWGJCQE-UHFFFAOYSA-N,2,1,0.558,51,969,407.34,3.094,5,0.438,0.73,1.0,0.8317370296758275,0.7264495236789802,0.6958142005345761,0.6767527928174902,0.7326883866767185
EOS-2-42652,FC(F)Oc1ccc(-c2nnc3cncc(-c4ncc(-c5ncccn5)o4)n23)cc1,RMPRUMWYLBEKIT-UHFFFAOYSA-N,2,1,0.487,96,121,407.34,3.505,5,0.436,0.71,1.0,0.8190322801727092,0.6932698238640258,0.6338924679597012,0.6031971763415804,0.6873479370845041
EOS-2-42653,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4nnco4)c(F)c3)n12,PLNSOIOMHHWSRO-UHFFFAOYSA-N,2,1,0.518,16,772,407.34,3.094,5,0.438,0.73,1.0,0.8936330614762524,0.6982729079569597,0.7370896443012817,0.7079192653005277,0.7592287197587554
EOS-2-42654,Fc1ccc(-c2nc(COc3cncc4nnc(-c5cncc(F)c5)n34)no2)cc1,SCQFFHDJZNZOPB-UHFFFAOYSA-N,2,1,0.482,73,335,407.34,3.094,5,0.438,0.73,1.0,0.5856349804674115,0.5825937221574944,0.4703070385854294,0.5338050853265712,0.5430852066342267
EOS-2-42655,Fc1ccccc1-c1nnc2cncc(OCc3ncc(-c4nnco4)cc3F)n12,XVRNABDERAQBME-UHFFFAOYSA-N,2,1,0.518,4,820,407.34,3.094,5,0.438,0.72,1.0,0.6398122130080186,0.6206822698923994,0.5692807209923926,0.5945788499760126,0.6060885134672057
EOS-2-42656,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5conn5)cn4)n23)c(F)c1,WVHVGZNPZVZFKX-UHFFFAOYSA-N,2,1,0.561,4,10,407.34,3.094,5,0.438,0.66,1.0,0.5687324378041259,0.6162874374614489,0.6985042149270098,0.6912394626824755,0.643690888218765
EOS-2-42657,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncno5)cn4)n23)c1F,JXSIANKJQYLTMP-UHFFFAOYSA-N,2,1,0.444,46,910,407.34,3.094,5,0.438,0.68,0.993,0.6669436639024056,0.5302583784524707,0.6902885340278254,0.6678774587074224,0.6388420087725311
EOS-2-42658,Fc1cnc(COc2cncc3nnc(-c4ccccc4F)n23)cc1-c1nnco1,CXYMCAHYYRNCQF-UHFFFAOYSA-N,2,1,0.529,4,712,407.34,3.094,5,0.438,0.66,1.0,0.6084915358782811,0.6064012062230142,0.5980141868274964,0.609656637653348,0.6056408916455349
EOS-2-42659,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cn1,YPTLYNNGCWCLTH-UHFFFAOYSA-N,2,1,0.346,96,340,407.34,3.505,5,0.436,0.79,1.0,0.6058700568843808,0.5583321910766911,0.7819289287917209,0.7215064080597628,0.6669093962031389
EOS-2-42660,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5nnco5)c(F)cn4)n23)cc1,KWRUHCOJYZYUAC-UHFFFAOYSA-N,2,1,0.549,34,712,407.34,3.094,5,0.438,0.72,1.0,0.8619611404290316,0.7923548762936057,0.6403690631211021,0.6449266671235693,0.734902936741827
EOS-2-42661,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)c(F)c1,LIEUPDVMMATRIT-UHFFFAOYSA-N,2,1,0.561,4,10,407.34,3.094,5,0.438,0.67,1.0,0.7123569323555616,0.7264580906037968,0.6520800493454869,0.6420310465355356,0.6832315297100953
EOS-2-42662,Fc1cc(F)cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)c1,SPIPSCYHDFWNGE-UHFFFAOYSA-N,2,1,0.716,4,712,407.34,3.094,5,0.438,0.68,1.0,0.5420036323761223,0.5773164964704269,0.6520886162703036,0.6391696936467686,0.6026446096909053
EOS-2-42663,Fc1cccc(-c2nnc3cncc(OCc4ncc(-c5nnco5)cc4F)n23)c1,FYMJJBCSMLGKIB-UHFFFAOYSA-N,2,1,0.548,4,712,407.34,3.094,5,0.438,0.76,1.0,0.6608697142073882,0.582602289082311,0.5884106641080118,0.6096652045781646,0.610386967993969
EOS-2-42664,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)cc1F,WDQPPEKOUUPBBO-UHFFFAOYSA-N,2,1,0.58,4,391,407.34,3.094,5,0.438,0.69,1.0,0.7807980947159208,0.7495031183606332,0.6930984853676924,0.6678860256322391,0.7228214310191213
EOS-2-42665,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cocn5)n4)n23)c(F)c1,OSKCITPMKQMHJL-UHFFFAOYSA-N,2,1,0.517,24,401,407.34,3.094,5,0.438,0.67,1.0,0.6640566102391885,0.6982814748817764,0.594750188472346,0.6065639777945309,0.6409130628469604
EOS-2-42666,Oc1ccnnc1COc1cncc2nnc(-c3ccc(-c4nnco4)c(F)n3)n12,RFOLLOKYHXTFLU-UHFFFAOYSA-N,2,1,0.361,53,237,407.325,1.45,5,0.422,0.52,0.999,0.4960078130354328,0.44506887807552603,0.10025872112946337,0.09335377972722911,0.2836722979919128
EOS-2-42667,Fc1cc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)nc5)n4)n23)c(Cl)cc1Cl,DNBSYQGQSRXYCR-UHFFFAOYSA-N,2,1,0.444,73,756,492.685,4.915,5,0.252,0.68,1.0,0.670233363032006,0.7539065177164005,0.7863751627715715,0.879386265506134,0.7724753272565279
EOS-2-42668,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4noc(-c5nnco5)n4)n23)cc1,PEHDNLBCPGSBIO-UHFFFAOYSA-N,2,1,0.511,36,946,407.306,1.711,5,0.295,0.65,1.0,0.5186416284010692,0.17882598862312385,0.017288054280035638,0.002921321362483723,0.1794192481666781
EOS-2-42669,Fc1cnc(COc2cncc3nnc(-c4ccc(C(F)F)c(F)c4)n23)c(F)c1,VWDGBLVOIVYWQG-UHFFFAOYSA-N,2,1,0.537,90,255,407.302,4.12,4,0.466,0.63,1.0,0.922323692687273,0.9097474470564046,0.987338085120965,0.982951819614831,0.9505902611198684
EOS-2-42670,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nc1F,RRRIHWUMVSJFOX-UHFFFAOYSA-N,2,1,0.55,48,255,407.302,4.062,4,0.377,0.78,1.0,0.9672914810499623,0.9659379069289288,0.9958450414639161,0.9903450757316153,0.9798548762936056
EOS-2-42671,Fc1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)c(F)c1,VTIULQJFFJSBPO-UHFFFAOYSA-N,2,1,0.597,90,255,407.302,4.062,4,0.478,0.8,1.0,0.9565485573298609,0.9599838941813447,0.9940374203275992,0.9849222123226646,0.9738730210403672
EOS-2-42672,Fc1ccc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)n4)n23)cc1F,LNYXHWZZMFYUOA-UHFFFAOYSA-N,2,1,0.597,23,255,407.302,4.062,4,0.478,0.78,1.0,0.9662463162223288,0.9687649921184291,0.9930607908984991,0.9818381193886643,0.9774775546569803
EOS-2-42673,FC(F)c1ccc(-c2nnc3cncc(-c4ccccc4OC(F)(F)F)n23)cn1,IGPOXJRXWNPGNL-UHFFFAOYSA-N,2,1,0.392,66,444,407.302,4.69,4,0.459,0.84,0.97,0.6485162086217532,0.7358645740524982,0.9963247892536495,0.9906963196490988,0.8428504728942499
EOS-2-42674,Fc1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cc1F,GANDRHBUADLZQY-UHFFFAOYSA-N,2,1,0.61,90,255,407.302,4.062,4,0.478,0.79,1.0,0.9142622164347886,0.9553149201562607,0.9967617024192996,0.9935919402371325,0.9649826948118704
EOS-2-42675,Clc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)c4)n23)cc1,CCFXZQPAYUOUGN-UHFFFAOYSA-N,2,1,0.448,45,46,407.264,4.951,5,0.425,0.81,1.0,0.05531663354122404,0.40895072304845453,0.8986532794188198,0.9539356452607772,0.5792140703173189
EOS-2-42676,Clc1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(Cl)c1,QGKCRVHMJKFUNE-UHFFFAOYSA-N,2,1,0.419,45,46,407.264,4.951,5,0.425,0.74,1.0,0.03706051675690494,0.38060276883010075,0.8647196902199986,0.9341032143101912,0.5541215475292989
EOS-2-42677,Clc1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)cc1,NVYMFFYSLQNDEN-UHFFFAOYSA-N,2,1,0.423,45,46,407.264,4.951,5,0.425,0.83,1.0,0.05046775409499006,0.4138253032691385,0.8914827633472688,0.9513741347405935,0.5767874888629978
EOS-2-42678,Clc1cc(-c2ccc(-c3nnc4cncc(-c5ccccc5Cl)n34)cc2)n[nH]1,IBUHIVAYKFWPIE-UHFFFAOYSA-N,2,1,0.394,83,558,407.264,5.155,5,0.449,0.82,1.0,0.29801761359742307,0.48915427318209853,0.8938386676718525,0.9494465766568433,0.6576142827770544
EOS-2-42679,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccccc5Br)n34)c2)cc1,DQLDCHXXDGPDMW-UHFFFAOYSA-N,2,1,0.57,57,137,492.764,5.848,5,0.308,0.81,1.0,0.7892022479610719,0.8938558015214858,0.9235658967856898,0.9433897608114591,0.8875034267699266
EOS-2-42680,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)c2)cc1,AOWQYCRQNHUZJM-UHFFFAOYSA-N,2,1,0.636,57,23,492.764,5.848,5,0.308,0.81,1.0,0.6454235487629361,0.857797614968131,0.8963487766431362,0.9191967651291892,0.8296916763758481
EOS-2-42681,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1,AXXHBOSGMQCUPV-UHFFFAOYSA-N,2,1,0.613,90,708,407.231,3.399,4,0.515,0.83,1.0,0.8641457062572819,0.8914313617983689,0.7658916455349187,0.7505397162634501,0.8180021074635049
EOS-2-42682,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)c(Cl)c4Cl)n23)s1,MJLAWQZEJTUTBA-UHFFFAOYSA-N,2,1,0.517,11,639,492.775,6.09,5,0.285,0.68,1.0,0.8243609074086766,0.8417089301624289,0.8185610993077925,0.8851089712836681,0.8424349770406415
EOS-2-42683,FC(F)Oc1cc(Cl)ccc1-c1nnc2cncc(-c3ccccc3Cl)n12,QMSSLZFGZCMUFC-UHFFFAOYSA-N,2,1,0.429,45,254,407.207,5.367,4,0.457,0.84,0.999,0.6640651771640053,0.8830700431773011,0.9900795010622987,0.9970958124871496,0.8835776334726886
EOS-2-42684,Fc1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1Cl,GFRUFKOLJOTSOF-UHFFFAOYSA-N,2,1,0.662,23,627,407.207,4.955,4,0.48,0.83,1.0,0.9911332328147489,0.9891457062572819,0.9900880679871154,0.9963676238777328,0.9916836577342197
EOS-2-42685,Fc1cc(Cl)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,ZQBPSJMQNIPVQG-UHFFFAOYSA-N,2,1,0.773,23,17,407.207,4.955,4,0.449,0.81,1.0,0.9945771365910493,0.9959992461106162,0.9898139263929819,0.9962219861558494,0.9941530738126243
EOS-2-42686,FC(F)Oc1ccccc1-c1cncc2nnc(-c3ccc(Cl)c(Cl)c3)n12,ZBUMXHQXHOPEKS-UHFFFAOYSA-N,2,1,0.434,23,254,407.207,5.367,4,0.457,0.82,1.0,0.7977006373792064,0.9299910903981906,0.9920327599204989,0.9972071825097663,0.9292329175519156
EOS-2-42687,Cn1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cc1-c1cnn(CC(F)F)c1,LEWNCCHWNFTCFN-UHFFFAOYSA-N,2,1,0.387,95,956,492.824,4.377,5,0.327,0.57,0.978,0.40631211020492086,0.4628623809197451,0.8603077239394147,0.8595881022548146,0.6472675793297238
EOS-2-42688,O=C(Oc1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1F)c1ccccc1,LYTOTOUFCGHXRV-UHFFFAOYSA-N,2,1,0.593,79,590,492.869,5.521,5,0.229,0.82,1.0,0.9335463641971078,0.9056267562195874,0.9491210335138098,0.9376070865602083,0.9314753101226784
EOS-2-42689,Cn1nc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)ccn2)cc1C(F)(F)F,LNLOLTOHTYUURK-UHFFFAOYSA-N,2,1,0.506,27,486,492.874,4.295,5,0.361,0.64,1.0,0.42692413131382356,0.62507710232335,0.8224504831745597,0.704946542389144,0.6448495648002193
EOS-2-42690,Cn1nc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cc1-c1ccc(Cl)c(C#N)c1,JNJKEMRVGRVLJP-UHFFFAOYSA-N,2,1,0.43,95,998,492.877,4.012,5,0.352,0.57,0.998,0.5769652525529436,0.5533633746830238,0.827907614282777,0.8420516071550956,0.70007196216846
EOS-2-42691,COc1cc(-c2cnn(C)c(=O)c2)ccc1-c1nnc2cncc(OCc3ccc(F)c(Cl)c3)n12,UTGHVFMNYMHORU-UHFFFAOYSA-N,2,1,0.588,43,96,492.898,3.932,5,0.354,0.72,1.0,0.6822184908505243,0.6688797889109726,0.8243009389349599,0.7661400863546022,0.7353848262627648
EOS-2-42692,FC1(Cn2cc(-c3ccnc(-c4nnc5cncc(OCc6cncc(Cl)c6)n45)c3)cn2)COC1,ANTPMCYTXYAFHJ-UHFFFAOYSA-N,2,1,0.376,92,711,492.902,3.416,6,0.34,0.55,0.985,0.3569066547871976,0.32275032554314304,0.4807244191624974,0.5368377767116715,0.4243047940511274
EOS-2-42693,Cc1cc(=O)n(C)nc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cn1,GRWOSSCRICVCRU-UHFFFAOYSA-N,2,1,0.485,58,981,492.902,3.064,5,0.332,0.62,0.853,0.5036495099719005,0.5394421218559385,0.32719655952299365,0.3390960180933452,0.4273460523610444
EOS-2-42694,CCOc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cncc(F)c1,MJLJVSPADSIEPD-UHFFFAOYSA-N,2,1,0.385,20,279,492.902,3.851,5,0.318,0.65,0.858,0.6852511822356246,0.6442841477623192,0.33826502638612843,0.34227434720032895,0.5025186758961003
EOS-2-42695,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncc(F)c(C)n1,DJRGGSGSRAELMC-UHFFFAOYSA-N,2,1,0.444,49,896,492.902,3.769,5,0.335,0.62,0.999,0.7750582550887534,0.6492872318552533,0.25051401548900004,0.22374237543691317,0.47465046946747996
EOS-2-42696,CN(C)Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)c(F)n1,MKAMMHWWVNQROD-UHFFFAOYSA-N,2,1,0.389,51,196,492.906,2.866,5,0.313,0.64,1.0,0.560062709889658,0.5583407580015077,0.15813686519087108,0.1303971626345007,0.3517343739291343
EOS-2-42697,Cn1cc(-c2cc(-c3cc(-c4nnc5cncc(OCc6ccc(Cl)s6)n45)ncn3)no2)nn1,POCVFELCPGOJJG-UHFFFAOYSA-N,2,1,0.373,46,395,492.912,3.326,6,0.34,0.52,0.717,0.3136094167637585,0.37580529093276677,0.13063703652936742,0.15697176341580427,0.24425587691042422
EOS-2-42698,FC(F)Oc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)cc1,DAFIVTVQQHQVFH-UHFFFAOYSA-N,2,1,0.728,79,497,492.913,6.335,5,0.253,0.81,1.0,0.9859074086765814,0.9888287300390651,0.9801504351997807,0.9799448290041807,0.983707850729902
EOS-2-42699,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1,MPKAWEMOWFFWIC-UHFFFAOYSA-N,2,1,0.8,79,497,492.913,6.335,5,0.253,0.81,1.0,0.9988177643752998,0.9980296072921664,0.9815211431704476,0.9806987183880475,0.9897668083064903
EOS-2-42700,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccccc5Cl)cc4)n23)cc1,JKRMWSUNBNQMCL-UHFFFAOYSA-N,2,1,0.787,79,650,492.913,6.335,5,0.253,0.82,1.0,0.9964447262010828,0.9975412925776164,0.9801590021245974,0.9799533959289973,0.9885246042080734
EOS-2-42701,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1c(C)oc(=O)n1C,HQUMROLPRVMCBK-UHFFFAOYSA-N,2,1,0.511,15,458,492.923,3.737,5,0.316,0.56,1.0,0.5856435473922281,0.5031097937084504,0.3534541840860805,0.27407305873483656,0.4290701459803989
EOS-2-42702,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1c(C)oc(=O)n1C,ZKKDVZQJDSHMFL-UHFFFAOYSA-N,2,1,0.5,15,458,492.923,3.737,5,0.338,0.6,1.0,0.5687410047289425,0.4582533753683778,0.3497447056404633,0.2832396682886711,0.41499468850661364
EOS-2-42703,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1c(C)oc(=O)n1C,LIAUCSXEUYTYRV-UHFFFAOYSA-N,2,1,0.51,15,458,492.923,3.737,5,0.338,0.56,0.999,0.5714310191213762,0.5491056130491399,0.30156432047152354,0.24158727983003223,0.4159220581180179
EOS-2-42704,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccnn1CCO,MPLMHGLPEMLMDB-UHFFFAOYSA-N,2,1,0.412,49,578,492.927,2.721,5,0.309,0.66,1.0,0.41076691110958813,0.28184325954355427,0.18706737029675827,0.15698033034062092,0.2591644678226304
EOS-2-42705,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cnccn6)n5)n34)c2)nc1,KDTHZWCAJPFNAO-UHFFFAOYSA-N,2,1,0.484,28,667,492.93,4.938,6,0.322,0.67,1.0,0.5242101295319033,0.620690836817216,0.6045764512370639,0.615739154273182,0.5913041429648414
EOS-2-42706,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cc2)nn1,LIYRPZZYFUYDEF-UHFFFAOYSA-N,2,1,0.523,77,323,492.93,4.938,6,0.322,0.77,1.0,0.8392416558152286,0.8417174970872455,0.6958227674593928,0.6967993968884929,0.76839532931259
EOS-2-42707,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nn5)n34)cc2)nn1,LVJYTSMPSIHBPP-UHFFFAOYSA-N,2,1,0.506,12,897,492.93,4.938,6,0.322,0.79,1.0,0.7065057227057775,0.7837708176273045,0.5659738880131588,0.6032057432663971,0.6648640429031594
EOS-2-42708,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cn2)cc1,CHHCONSTCLBVBS-UHFFFAOYSA-N,2,1,0.489,28,667,492.93,4.938,6,0.322,0.72,1.0,0.59993317798643,0.7880200123363718,0.5425604824892056,0.5758258515523268,0.6265848810910836
EOS-2-42709,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cn2)cc1,WJRXUUHRVWYFDI-UHFFFAOYSA-N,2,1,0.484,28,218,492.93,4.938,6,0.322,0.73,1.0,0.5368634774861216,0.7580871770269344,0.6045850181618806,0.6364539784798848,0.6339974127887054
EOS-2-42710,Clc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)nn4)n23)cn1,WXEDFZFGUIRKCP-UHFFFAOYSA-N,2,1,0.489,28,363,492.93,4.938,6,0.322,0.77,1.0,0.6337468302378179,0.7217891165787129,0.5425690494140224,0.6032143101912137,0.6253298266054417
EOS-2-42711,COc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(Cl)cn6)cc5)n34)cc2)cn1,XHGKSOSMHNFYRD-UHFFFAOYSA-N,2,1,0.37,69,645,492.93,5.034,6,0.33,0.74,1.0,0.4269326982386403,0.46709444177917897,0.6658128298266054,0.6244431498869166,0.5460707799328353
EOS-2-42712,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccncn6)n5)n34)cc2)nc1,OZHHDOODFGAKPD-UHFFFAOYSA-N,2,1,0.495,28,120,492.93,4.938,6,0.322,0.72,1.0,0.7692841477623192,0.7264666575286135,0.6371136316907683,0.6332670824480844,0.6915328798574464
EOS-2-42713,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)c2)cc1,ZOBYFSHYZLTLNC-UHFFFAOYSA-N,2,1,0.463,28,218,492.93,4.938,6,0.322,0.71,0.998,0.4174148447673223,0.5628383935302583,0.5692892879172092,0.6273216366253169,0.5442160407100267
EOS-2-42714,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncccn6)n5)n34)cc2)cc1,HZLRXCXEAAUVOH-UHFFFAOYSA-N,2,1,0.518,41,25,492.93,4.938,6,0.322,0.71,1.0,0.7605887190734014,0.8665958467548489,0.5760485915975602,0.6332756493729012,0.7091272016996778
EOS-2-42715,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnccn6)n5)n34)cc2)nc1,FSSBEHFMIQQJTJ-UHFFFAOYSA-N,2,1,0.5,28,120,492.93,4.938,6,0.322,0.68,1.0,0.6971335069563429,0.7311441984785142,0.6194914673428826,0.6216160646974163,0.667346309368789
EOS-2-42716,COc1ncc(-c2ccc(Cl)nc2)cc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,CZLYXXXYNNQQER-UHFFFAOYSA-N,2,1,0.349,41,171,492.93,5.034,6,0.308,0.71,1.0,0.4614060037009115,0.4938746487560825,0.7447998766362827,0.7079278322253444,0.6020020903296552
EOS-2-42717,Clc1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nn1,CXFZRHQUKQSKRA-UHFFFAOYSA-N,2,1,0.494,77,323,492.93,4.938,6,0.322,0.75,1.0,0.8808597765746008,0.8724042217805497,0.663217051607155,0.6767613597423069,0.7733106024261531
EOS-2-42718,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nn5)n34)cc2)cn1,MEGFPANJRNFKNJ-UHFFFAOYSA-N,2,1,0.494,41,25,492.93,4.938,6,0.301,0.73,1.0,0.6515489000068535,0.7173171818244123,0.6713384963333562,0.6827496401891577,0.680738554588445
EOS-2-42719,Clc1nccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)n1,OSAGJVXLWSSGSX-UHFFFAOYSA-N,2,1,0.457,12,285,492.93,4.938,6,0.301,0.73,1.0,0.7155095606880953,0.7451682544033994,0.5624528819135083,0.5974916044136797,0.6551555753546707
EOS-2-42720,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnn6)cc5)n34)nc2)cn1,GCRARNMXUGIQJK-UHFFFAOYSA-N,2,1,0.433,77,177,492.93,4.938,6,0.301,0.84,1.0,0.6669522308272222,0.6492957987800699,0.7217891165787129,0.7215149749845795,0.689888030292646
EOS-2-42721,Clc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)nc1,ZCZIMTUBEOGEDZ-UHFFFAOYSA-N,2,1,0.511,28,363,492.93,4.938,6,0.322,0.75,1.0,0.5796209992461107,0.7032074566513604,0.5391936810362552,0.5664622027277089,0.5971210849153588
EOS-2-42722,Clc1cnc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,JYOVDKPRTGZLKU-UHFFFAOYSA-N,2,1,0.529,28,120,492.93,4.938,6,0.322,0.7,1.0,0.7310242615310808,0.7959444177917895,0.4384980467411418,0.4846480707285313,0.6125286991981359
EOS-2-42723,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(-c5ccccn5)n4)n23)ccn1,QOGQCFZRRRYOGW-UHFFFAOYSA-N,2,1,0.451,28,942,492.93,4.938,6,0.301,0.67,1.0,0.7095212802412446,0.6982900418065932,0.5156774724145021,0.5468525118223563,0.617585326571174
EOS-2-42724,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)c2)nn1,IBHOMYASRIKIHN-UHFFFAOYSA-N,2,1,0.516,28,808,492.93,4.938,6,0.322,0.73,1.0,0.47885682955246384,0.6015351929271469,0.542577616338839,0.5568158453841409,0.5449463710506476
EOS-2-42725,Clc1cccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)c5)n34)cc2)n1,RRVMAOKKKYITQQ-UHFFFAOYSA-N,2,1,0.457,41,78,492.93,4.938,6,0.301,0.66,1.0,0.8789065177164005,0.7539150846412171,0.7563823589884175,0.7454766636967994,0.7836701562607086
EOS-2-42726,Cn1nc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(Cl)cc5)n34)nc2)ccc1=O,WETWMLBTQJTTSH-UHFFFAOYSA-N,2,1,0.327,32,572,492.93,4.329,6,0.36,0.64,0.248,0.2302789390720307,0.3469176204509629,0.4841940237132479,0.5664707696525255,0.4069653382221918
EOS-2-42727,Clc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)nn1,ZESRXKATICWUQJ-UHFFFAOYSA-N,2,1,0.563,77,120,492.93,4.938,6,0.322,0.74,1.0,0.5914604893427455,0.7032160235761771,0.6280840929340004,0.6244517168117333,0.6368030806661641
EOS-2-42728,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cccnn6)n5)n34)cc2)cc1,WQTMERXUOBQHPD-UHFFFAOYSA-N,2,1,0.523,12,492,492.93,4.938,6,0.322,0.75,1.0,0.666960797752039,0.8486995408128298,0.5852409019258447,0.644935234048386,0.6864591186347748
EOS-2-42729,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)c2)nc1,QQLUZDCRGULNEV-UHFFFAOYSA-N,2,1,0.484,81,218,492.93,4.938,6,0.322,0.66,1.0,0.4935062709889658,0.5923942841477623,0.5916489616887122,0.6129549037077651,0.5726261051333014
EOS-2-42730,Clc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)nn1,OWZTXYYDSFXMOK-UHFFFAOYSA-N,2,1,0.489,77,363,492.93,4.938,6,0.322,0.8,1.0,0.552480981426907,0.6639281063669386,0.5947587553971626,0.6129634706325817,0.6060328284558976
EOS-2-42731,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nc5)n34)c2)nn1,GVQHILMIAUQGRY-UHFFFAOYSA-N,2,1,0.473,77,177,492.93,4.938,6,0.322,0.76,1.0,0.6454321156877527,0.6297632101980672,0.6684343088205058,0.6590620930710712,0.6506729319443493
EOS-2-42732,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)cn2)cc1,TWAIYBCPPOLNKW-UHFFFAOYSA-N,2,1,0.478,28,667,492.93,4.938,6,0.322,0.7,1.0,0.5742409704612432,0.7837793845521211,0.6741912822973065,0.6883524090192584,0.6801410115824823
EOS-2-42733,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cc2)nc1,YEZZBWSQNAAKFO-UHFFFAOYSA-N,2,1,0.505,28,120,492.93,4.938,6,0.322,0.68,1.0,0.7338941813446646,0.74951168528545,0.5460043862655062,0.5568244123089576,0.6465586663011447
EOS-2-42734,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5cncc(-c6ccccc6)n5)n34)c2)cn1,WMLODIBFZCVGHR-UHFFFAOYSA-N,2,1,0.406,41,797,492.93,4.938,6,0.301,0.76,1.0,0.5086697279144679,0.6250856692481667,0.6403776300459187,0.6678945925570557,0.6105069049414023
EOS-2-42735,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)cn5)n34)cc2)cn1,FEHHZGTWJBFDPM-UHFFFAOYSA-N,2,1,0.517,41,25,492.93,4.938,6,0.301,0.67,1.0,0.6515574669316702,0.7539236515660338,0.7242478240010966,0.707936399150161,0.7094163354122405
EOS-2-42736,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c(Oc2ccc(Cl)cc2)n1,OKGJWHLYMVQCQH-UHFFFAOYSA-N,2,1,0.411,41,171,492.93,5.459,6,0.312,0.73,1.0,0.49601637996024944,0.5674045644575423,0.6848142690699747,0.6856109930779247,0.6084615516414228
EOS-2-42737,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cc2)cn1,SEXIITAIQOUAIF-UHFFFAOYSA-N,2,1,0.484,81,609,492.93,4.938,6,0.301,0.72,1.0,0.5825337536837777,0.7032245905009937,0.6491929956822698,0.6534593242409704,0.6471026660270028
EOS-2-42738,COc1ccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(Cl)c5)n34)nc2)cn1,PZNPNOACDHVCCC-UHFFFAOYSA-N,2,1,0.31,64,449,492.93,5.034,6,0.33,0.77,1.0,0.417423411692139,0.46287094784456173,0.5493454869440065,0.5758344184771435,0.5013685662394627
EOS-2-42739,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)nn5)n34)n2)cc1,IUIDYDINQJZOLR-UHFFFAOYSA-N,2,1,0.43,30,177,492.93,4.938,6,0.322,0.8,0.993,0.4861472825714482,0.5826108560071277,0.5257864436981701,0.6157477211979988,0.5525730758686862
EOS-2-42740,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cn5)n34)cc2)nn1,XHIGMBJLGDNMEP-UHFFFAOYSA-N,2,1,0.571,41,592,492.93,4.938,6,0.322,0.76,1.0,0.6426050304982523,0.6884894798163251,0.679571311082174,0.6736772668083065,0.6710857720512645
EOS-2-42741,COc1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1nc(C)nn1C(C)C,VYRBWKJXAKRRSC-UHFFFAOYSA-N,2,1,0.34,31,456,492.931,3.365,5,0.311,0.59,0.781,0.27867349736138713,0.3318655335480776,0.023678980193269823,0.00934651497498458,0.1608911315194298
EOS-2-42742,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1-c1cnc(C)n1C,CRASWOMBYFIIAV-UHFFFAOYSA-N,2,1,0.528,91,313,492.942,4.923,5,0.321,0.72,1.0,0.797709204304023,0.7217976835035296,0.7841991638681379,0.6941265163456926,0.7494581420053458
EOS-2-42743,CS(=O)(=O)c1c(Cl)cncc1COc1cncc2nnc(-c3cccnc3-c3ccccc3)n12,QUOKOMARIHUVIX-UHFFFAOYSA-N,2,1,0.446,97,700,492.948,3.884,5,0.351,0.58,0.767,0.5293759851963539,0.534918785552738,0.31633369885545887,0.43159310533890755,0.45305539373586456
EOS-2-42744,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)cc1Cl,RPRNMFNYDBITNF-UHFFFAOYSA-N,2,1,0.291,76,653,492.952,5.288,6,0.33,0.61,0.346,0.23028750599684736,0.3367829483928449,0.5821311082173943,0.7049551093139607,0.46353916798026185
EOS-2-42745,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)cc5)n34)cc2)cn1,QDFBVMSSSOTQEC-UHFFFAOYSA-N,2,1,0.662,12,492,492.97,6.091,6,0.281,0.79,1.0,0.7489719690219999,0.804648413405524,0.9150075388938387,0.9081197313412378,0.8441869131656501
EOS-2-42746,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6cccn6)cc5)n34)cc2)cc1,RQXOGAXPKWGFKS-UHFFFAOYSA-N,2,1,0.72,12,492,492.97,5.919,6,0.277,0.79,1.0,0.8163079980810088,0.8724127887053663,0.8661675005140155,0.87523130697005,0.8575298985676102
EOS-2-42747,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccccc5Cl)n34)cc2)cn1,WTZFRFDIYAUKBB-UHFFFAOYSA-N,2,1,0.536,12,994,492.97,6.091,6,0.281,0.75,1.0,0.7249246110616133,0.7539322184908506,0.8951579740936193,0.8932304160098691,0.8168113049139881
EOS-2-42748,Cn1nc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)cc1-c1ccc(Cl)cc1,LXWYJKGYRIXHAY-UHFFFAOYSA-N,2,1,0.483,12,897,492.97,6.091,6,0.281,0.76,0.999,0.48867452539236517,0.5259235144952368,0.790333082036872,0.8381279555890617,0.6607647693783839
EOS-2-42749,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c(Cl)c2)cn1,JOGJTULOUKNLFJ-UHFFFAOYSA-N,2,1,0.494,12,285,492.97,6.185,6,0.277,0.78,1.0,0.7398310602426154,0.6393752998423686,0.8891182920978685,0.8808683434994174,0.7872982489205674
EOS-2-42750,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)s4)s3)n12,YKHQFGZSDVVNPQ-UHFFFAOYSA-N,2,1,0.308,76,653,492.973,5.96,6,0.293,0.67,0.309,0.5471352203413062,0.4628795147693784,0.5561647590980742,0.5501422109519567,0.5290804262901789
EOS-2-42751,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cc4)n23)cc1Cl,JUIYVBIAHMJNEX-UHFFFAOYSA-N,2,1,0.402,96,558,406.873,5.979,5,0.37,0.85,1.0,0.4244568569666233,0.6064097731478308,0.9652439860187787,0.9807072853128641,0.7442044753615242
EOS-2-42752,Fc1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cc1Cl,WEWYUWDVZKCMPZ-UHFFFAOYSA-N,2,1,0.382,96,558,406.873,5.979,5,0.37,0.84,1.0,0.40199438009732025,0.5719621684600096,0.9661263792748955,0.9802875059968473,0.7300926084572682
EOS-2-42753,Fc1cc(-c2nnc3cncc(-c4cscc4-c4ccccc4)n23)ccc1Cl,WDOTVTKXYIMZSM-UHFFFAOYSA-N,2,1,0.42,96,558,406.873,5.979,5,0.37,0.78,1.0,0.3891354259475019,0.5826194229319444,0.9484870810773764,0.9737509423617299,0.7234982180796381
EOS-2-42754,Cc1cncc(-c2nnc3cncc(-c4cc(-c5nncs5)ccc4Cl)n23)n1,DZBMWPHEYTVLCX-UHFFFAOYSA-N,2,1,0.288,50,844,406.862,3.729,5,0.45,0.68,0.947,0.13643684463025152,0.31793571379617575,0.2907100267288054,0.4058666301144541,0.2877373038174217
EOS-2-42755,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)s1,ALRYJYFLGYQDTP-UHFFFAOYSA-N,2,1,0.382,50,859,406.862,3.729,5,0.421,0.69,1.0,0.12248989102871634,0.32734219724487695,0.25751319306421766,0.354961962853814,0.2655768110479062
EOS-2-42756,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5cncc(Cl)c5)n34)cc2)s1,MFUGWTCCFPHUKJ-UHFFFAOYSA-N,2,1,0.325,96,558,406.862,3.438,5,0.477,0.67,1.0,0.16110102117743816,0.20089438695086012,0.41601843602220545,0.48740662051949835,0.31635511616750056
EOS-2-42757,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4nccn4C)o3)n12,XOKLJCFIMLDPRU-UHFFFAOYSA-N,2,1,0.386,50,985,406.833,4.114,5,0.446,0.71,0.999,0.35691522171201423,0.39962990884791993,0.5460129531903228,0.5136813789322184,0.45405986567061885
EOS-2-42758,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)o4)n23)cc1,SQWDAFCGZXGZKD-UHFFFAOYSA-N,2,1,0.524,4,22,406.833,4.017,5,0.438,0.79,1.0,0.7781337810979371,0.6688883558357892,0.7010143238982934,0.6622061544787883,0.7025606538277019
EOS-2-42759,Cc1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5Cl)n4)n23)cc1,IKHFPCWTTIWFAR-UHFFFAOYSA-N,2,1,0.358,22,990,406.812,3.535,5,0.455,0.78,1.0,0.11727263381536564,0.3566325131930642,0.4455743266397094,0.6301401548900006,0.387404907134535
EOS-2-42760,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,ZSHOFRBVNHFRPN-UHFFFAOYSA-N,2,1,0.391,22,844,406.812,3.441,5,0.456,0.75,1.0,0.25717051607155095,0.5165769995202522,0.5561733260228908,0.6708501816188062,0.500192755808375
EOS-2-42761,Cn1cc(-c2cnc(F)c(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,GPABSBGRUSBTHI-UHFFFAOYSA-N,2,1,0.444,22,844,406.812,3.441,5,0.426,0.77,1.0,0.19715920773079296,0.4494979782057433,0.6492015626070866,0.7322750325543143,0.5070334452744842
EOS-2-42762,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)n1,MSOGDGSOSYEKKO-UHFFFAOYSA-N,2,1,0.391,22,844,406.812,3.441,5,0.456,0.69,0.995,0.24144164210814886,0.48916284010691524,0.6195000342676993,0.6941350832705092,0.5110598999383181
EOS-2-42763,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1,GVIHTNJBDZAECS-UHFFFAOYSA-N,2,1,0.386,61,917,406.812,3.441,5,0.456,0.84,1.0,0.28144061407717086,0.42730964293057366,0.5916575286135289,0.7293622781166472,0.5074425159344802
EOS-2-42764,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,XKANSCRWIXTQJW-UHFFFAOYSA-N,2,1,0.382,22,844,406.812,3.441,5,0.456,0.7,1.0,0.1664639161126722,0.4365362209581249,0.6133489822493318,0.7135648687547118,0.4824784970187102
EOS-2-42765,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,PNYISKPSLQGWHL-UHFFFAOYSA-N,2,1,0.395,61,917,406.812,3.441,5,0.456,0.81,1.0,0.26792200671646904,0.5628469604550751,0.5659824549379755,0.7161263792748955,0.5282194503461037
EOS-2-42766,Cn1nnnc1-c1cc(F)cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,JOCWYVQLJCSFGI-UHFFFAOYSA-N,2,1,0.429,61,917,406.812,3.441,5,0.456,0.81,1.0,0.26550613391816874,0.5349273524775546,0.5728359947913098,0.737646494414365,0.5277289939003496
EOS-2-42767,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(Cl)cc5F)n34)cc2)n1,HXUXPWONZHOKFM-UHFFFAOYSA-N,2,1,0.4,96,558,406.808,4.609,5,0.435,0.82,1.0,0.3846206565691179,0.5970289904735796,0.7659002124597355,0.8141405661023919,0.6404226064012062
EOS-2-42768,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4cn[nH]c4)cc3)n12,SVIUONRQNAOICO-UHFFFAOYSA-N,2,1,0.512,13,913,406.808,4.766,5,0.465,0.76,1.0,0.8413576862449456,0.8666044136796656,0.9287660201494071,0.9384295113426084,0.8937894078541566
EOS-2-42769,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)no1,CGAOCAROFKGGMS-UHFFFAOYSA-N,2,1,0.407,96,140,406.808,4.609,5,0.435,0.78,1.0,0.3056164759098074,0.5349359194023713,0.7819374957165376,0.8240353642656432,0.6116313138235899
EOS-2-42770,Cc1cccc(-c2noc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)c1,OOLGKILHFKHJFJ-UHFFFAOYSA-N,2,1,0.419,45,316,406.808,4.609,5,0.435,0.84,1.0,0.3729782057432664,0.6015437598519635,0.7190905352614625,0.8030035638407237,0.6241540161743541
EOS-2-42771,Cc1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)c(F)c5)o4)n23)cc1,NVGAHHWYGZEQOO-UHFFFAOYSA-N,2,1,0.375,45,574,406.808,4.609,5,0.435,0.85,1.0,0.4152902474127887,0.6785946816530738,0.7610427660886848,0.8260314577479269,0.6702397882256186
EOS-2-42772,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(Cl)ccc5F)n34)cc2)no1,LWDZMZBKSTVBMP-UHFFFAOYSA-N,2,1,0.403,96,46,406.808,4.609,5,0.435,0.83,1.0,0.3683263655678158,0.5349444863271879,0.7541977931601672,0.8117589610033582,0.6173069015146322
EOS-2-42773,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)c2)o1,KHESDPUEROXQBN-UHFFFAOYSA-N,2,1,0.412,45,558,406.808,4.609,5,0.435,0.81,1.0,0.419847851415256,0.6111815502707149,0.7773284901651704,0.8279590158316771,0.6590792269207046
EOS-2-42774,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cc2)o1,MWJNQPARRSFRMI-UHFFFAOYSA-N,2,1,0.415,96,558,406.808,4.609,5,0.435,0.83,1.0,0.43832670824480846,0.6393838667671853,0.7923891439928723,0.8320111712699609,0.6755277225687067
EOS-2-42775,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(Cl)nc5)n34)c(F)c2)o1,XCUASFSISFANGR-UHFFFAOYSA-N,2,1,0.355,96,478,406.808,4.609,5,0.407,0.8,1.0,0.380080186416284,0.6111901171955315,0.8349067918579947,0.8439020629154959,0.6675197895963265
EOS-2-42776,Cc1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(Cl)c(F)c4)n23)cn1,TZIRPPKDZXRZNE-UHFFFAOYSA-N,2,1,0.391,96,46,406.808,4.609,5,0.435,0.81,0.999,0.4039562058803372,0.5394506887807553,0.792397710917689,0.8279675827564937,0.6409430470838188
EOS-2-42777,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)nc1,GLQOKJCDHYSQLK-UHFFFAOYSA-N,2,1,0.5,51,19,406.797,1.994,5,0.465,0.77,1.0,0.6398207799328353,0.6111986841203482,0.15204578164622026,0.1923274621341923,0.39884817695839897
EOS-2-42778,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)n1,HHYXKXNCNFYPHO-UHFFFAOYSA-N,2,1,0.479,36,499,406.797,1.994,5,0.465,0.75,1.0,0.544667945994106,0.5970375573983963,0.19042560482489207,0.23000479747789734,0.3905339764238229
EOS-2-42779,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)nn1,NURXOJBTRDSLCB-UHFFFAOYSA-N,2,1,0.43,53,617,406.797,1.994,5,0.465,0.58,1.0,0.40396477280515386,0.5440853951065725,0.16457919265300527,0.2004746076348434,0.32827599204989377
EOS-2-42780,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cn4)n23)cn1,JQILLAYEGLFUOB-UHFFFAOYSA-N,2,1,0.424,55,62,406.797,1.994,5,0.435,0.79,1.0,0.5856521143170448,0.5440939620313893,0.21810533890754574,0.25652799671030085,0.4010948529915702
EOS-2-42781,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)ccn1,OKBCKYXWOBJZBN-UHFFFAOYSA-N,2,1,0.46,55,565,406.793,2.864,5,0.406,0.69,1.0,0.5630611335754917,0.6015523267767802,0.3646425878966486,0.37472585840586664,0.4759954766636968
EOS-2-42782,Clc1cccc(COc2cncc3nnc(-c4cc(-c5cnco5)cnn4)n23)n1,FYISVFOZHKKRFJ-UHFFFAOYSA-N,2,1,0.455,53,182,406.793,2.864,5,0.406,0.64,1.0,0.38914399287231854,0.3758138578575834,0.30878623809197453,0.35497052977863064,0.35717865465012677
EOS-2-42783,Clc1ccc(-c2nc(COc3cncc4nnc(-c5ccccn5)n34)no2)cn1,VUXLARWXDDSRFS-UHFFFAOYSA-N,2,1,0.456,46,959,406.793,2.864,5,0.406,0.77,1.0,0.4383352751696251,0.47132650263861287,0.13064560345418408,0.18657905558220822,0.30672160921115754
EOS-2-42784,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)cc1,KFKLSBKHQALASV-UHFFFAOYSA-N,2,1,0.562,4,212,406.793,2.864,5,0.434,0.7,1.0,0.6669693646768556,0.8382564594613118,0.26129977383318487,0.34541840860804607,0.5279860016448495
EOS-2-42785,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ncc(Cl)cn3)n12,BRVBXQVXHSUGTQ-UHFFFAOYSA-N,2,1,0.314,50,856,406.793,2.96,5,0.443,0.69,0.984,0.5213830443424029,0.44950654513055993,0.24679597011856624,0.2655404016174354,0.3708064903022411
EOS-2-42786,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnn5)no4)n23)cc1,XTRCYTVBJPTHDL-UHFFFAOYSA-N,2,1,0.549,4,32,406.793,2.864,5,0.434,0.8,1.0,0.6515660338564869,0.8046569803303406,0.14890172023850318,0.25653656363511756,0.4654153245151121
EOS-2-42787,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ncc(-c4nnco4)cn3)n12,BBSQLIZOVRGTRY-UHFFFAOYSA-N,2,1,0.378,50,261,406.793,2.96,5,0.443,0.7,1.0,0.5600712768144747,0.5719707353848262,0.2684874237543691,0.3012045096292235,0.42543348639572337
EOS-2-42788,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5cnccn5)n4)n23)cc1,RIAALPJURDCIGM-UHFFFAOYSA-N,2,1,0.592,51,540,406.793,2.864,5,0.434,0.82,1.0,0.642613597423069,0.7495202522102666,0.16458775957782196,0.25925227880200125,0.4539934720032897
EOS-2-42789,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)cn1,JHEISZLZSGKWCV-UHFFFAOYSA-N,2,1,0.465,7,85,406.793,2.864,5,0.434,0.73,1.0,0.5446765129189226,0.5876482077993284,0.3087948050167912,0.3108680008224248,0.43799688163936673
EOS-2-42790,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnco5)cn4)n23)nn1,NRCNWZXTIKXENV-UHFFFAOYSA-N,2,1,0.425,46,119,406.793,2.864,5,0.434,0.7,1.0,0.47103522719484614,0.4713350695634295,0.28352237680762116,0.3045798780069906,0.38261813789322185
EOS-2-42791,Clc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnco5)n34)cn2)cn1,VEDZHRUTZNGQLY-UHFFFAOYSA-N,2,1,0.471,55,434,406.793,2.864,5,0.406,0.76,1.0,0.739839627167432,0.7128195462956617,0.3608645740524981,0.332782194503461,0.5365764855047632
EOS-2-42792,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ncno5)cc4)n23)nn1,SDBZHEYTTNCTDF-UHFFFAOYSA-N,2,1,0.494,72,208,406.793,2.864,5,0.434,0.7,1.0,0.5944589130285792,0.6112072510451648,0.305239531217874,0.32617709546981016,0.45927069769035705
EOS-2-42793,Clc1cccc(-c2nnc3cncc(OCc4ncc(-c5conn5)cn4)n23)c1,ASGPWJBYIZFFSC-UHFFFAOYSA-N,2,1,0.536,51,946,406.793,2.864,5,0.434,0.73,1.0,0.4739222808580632,0.587656774724145,0.2980947159207731,0.3747344253306833,0.43360204920841616
EOS-2-42794,Clc1ccnc(COc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)c1,OJJPLAFHCBIWAJ-UHFFFAOYSA-N,2,1,0.529,2,875,406.793,2.864,5,0.434,0.71,1.0,0.4129686107874717,0.4987149612774998,0.35346275101089714,0.39370159687478584,0.4147119799876636
EOS-2-42795,Clc1cc(COc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)ccn1,LLBIBOWSXUAXAO-UHFFFAOYSA-N,2,1,0.443,2,875,406.793,2.864,5,0.406,0.69,1.0,0.54990233705709,0.5491141799739565,0.41602700294702216,0.42516791172640667,0.48505285792611885
EOS-2-42796,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5conn5)cc4)n23)nc1,ZWYRRMMPHQCMBM-UHFFFAOYSA-N,2,1,0.5,51,19,406.793,2.864,5,0.434,0.67,1.0,0.6282125968062504,0.5441025289562059,0.29071859365362207,0.3294410938249606,0.4481187033102597
EOS-2-42797,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)n1,OVGOYFSJJKGUFW-UHFFFAOYSA-N,2,1,0.429,46,670,406.793,2.864,5,0.406,0.72,1.0,0.4614145706257282,0.4844595983825646,0.2646837091357686,0.29502775683640603,0.3763964087451168
EOS-2-42798,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5nnco5)n34)cc2)nc1,VDEPAMYHYXEXFU-UHFFFAOYSA-N,2,1,0.532,56,19,406.793,2.864,5,0.434,0.7,1.0,0.6852597491604414,0.6349119320128846,0.2326519772462477,0.26843602220546914,0.4553149201562607
EOS-2-42799,Clc1cncc(-c2ncc(COc3cncc4nnc(-c5ccoc5)n34)nn2)c1,CIDWEEDDJPCCON-UHFFFAOYSA-N,2,1,0.506,2,36,406.793,2.864,5,0.434,0.69,1.0,0.3521862792132136,0.33187410047289423,0.21811390583236243,0.2920464670002056,0.29855518812966897
EOS-2-42800,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nn1,VRBVPFWDBAMSOX-UHFFFAOYSA-N,2,1,0.5,72,208,406.793,2.864,5,0.434,0.73,1.0,0.6367452539236516,0.6884980467411418,0.3015728873963402,0.32303303406209305,0.48746230553080666
EOS-2-42801,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cn1,OWWQJLBGDBTIBP-UHFFFAOYSA-N,2,1,0.518,55,283,406.793,2.864,5,0.406,0.71,1.0,0.6282211637310671,0.5876653416489617,0.3310345418408608,0.3454269755328627,0.4730870056884381
EOS-2-42802,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)nc1,QDONAFPIESIKHM-UHFFFAOYSA-N,2,1,0.466,46,128,406.793,2.864,5,0.434,0.67,1.0,0.4639760811459119,0.5077273661846343,0.2942653005277226,0.3261856623946268,0.3980386025632239
EOS-2-42803,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)cn1,DLYSRXONGQKAGQ-UHFFFAOYSA-N,2,1,0.488,55,283,406.793,2.864,5,0.406,0.64,1.0,0.5825423206085943,0.5583493249263245,0.35718936330614764,0.3619097388801316,0.46499768693029947
EOS-2-42804,Fc1cc(-c2nnc3cncc(OCc4nnc(-c5ccc(F)c(F)c5Cl)o4)n23)ccc1Cl,DOXOHZKZFIMSSO-UHFFFAOYSA-N,2,1,0.548,34,607,493.232,5.144,5,0.313,0.68,1.0,0.897154067575903,0.957165375916661,0.9426016037283257,0.9644301281611952,0.9403377938455212
EOS-2-42805,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3ccc(Cl)nc3)n12,BBOZKNKPTQGRMM-UHFFFAOYSA-N,2,1,0.55,68,555,406.755,3.89,4,0.468,0.57,1.0,0.9097303132067713,0.9076742512507711,0.932689671715441,0.9104071002672881,0.9151253341100678
EOS-2-42806,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,MTBJOTLSAOURLF-UHFFFAOYSA-N,2,1,0.605,68,127,406.755,3.833,4,0.512,0.84,1.0,0.9367846617778083,0.9299996573230074,0.9768607360701802,0.948033034062093,0.9479195223082721
EOS-2-42807,Fc1cncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1Cl,IOJBOPOYAKDBLQ-UHFFFAOYSA-N,2,1,0.5,68,127,406.755,3.89,4,0.5,0.71,1.0,0.909738880131588,0.9285775478034405,0.9566513604276609,0.945043177301076,0.9350027414159414
EOS-2-42808,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,HYBIBPHQYQELAR-UHFFFAOYSA-N,2,1,0.568,68,900,406.755,3.833,4,0.512,0.82,1.0,0.957422383661161,0.9419419505174422,0.972971352203413,0.9513827016654102,0.9559295970118566
EOS-2-42809,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cn1,KPDSWBDAVNRIQI-UHFFFAOYSA-N,2,1,0.608,68,127,406.755,3.833,4,0.512,0.8,1.0,0.7949335206634227,0.9268127612912069,0.970135700089096,0.9350198752655746,0.9067254643273251
EOS-2-42811,Fc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1Cl,OHVWYNBDVRVAMT-UHFFFAOYSA-N,2,1,1.0,48,254,406.751,4.978,4,0.468,0.8,1.0,0.9994345829621,0.9960078130354328,0.9921698307175656,0.9940973888013159,0.9954274038791036
EOS-2-42812,N#Cc1cc(-c2nnc3cncc(OCc4cnc(Cl)nc4-c4ccc(F)nc4)n23)ccc1Cl,JKGRJGYWETUEDY-UHFFFAOYSA-N,2,1,0.489,16,772,493.289,4.54,5,0.259,0.63,1.0,0.9345486944006579,0.9608919882119115,0.882247618394901,0.8973425399218696,0.918757710232335
EOS-2-42813,N#Cc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(F)c1,WLCDVLFGQHEUNW-UHFFFAOYSA-N,2,1,0.472,73,196,493.289,4.54,5,0.328,0.66,0.999,0.8971626345007196,0.9316530738126242,0.8069871838804743,0.8644112809265986,0.8750535432801042
EOS-2-42814,Fc1ccc(Cl)c(Cl)c1-n1cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nn1,RIGKGQJQFBGWHX-UHFFFAOYSA-N,2,1,0.299,45,783,493.293,4.27,6,0.365,0.64,1.0,0.05887190734014118,0.30761256939209103,0.6713470632581728,0.7919950654513056,0.4574566513604277
EOS-2-42815,Fc1cc(Br)cnc1COc1cncc2nnc(-c3cccc(Oc4ccncc4)c3)n12,MKPVUIUPCVSVQH-UHFFFAOYSA-N,2,1,0.511,97,881,493.296,4.854,5,0.334,0.73,1.0,0.6971420738811597,0.7358731409773148,0.777337057089987,0.742932287026249,0.7383211397436776
EOS-2-42816,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Br)c5)n34)cnn2)c1,MABWKFGXEUYLAA-UHFFFAOYSA-N,2,1,0.489,65,778,493.3,3.561,5,0.354,0.55,1.0,0.8006647933657735,0.7311527654033309,0.5392022479610719,0.5632067712973751,0.6585566445068878
EOS-2-42817,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cc5)n34)cc2)cc1F,FLMGGSYMGBKFAX-UHFFFAOYSA-N,2,1,0.75,57,853,493.311,6.078,5,0.298,0.81,1.0,0.9866184634363648,0.9842882598862313,0.982463504900281,0.9836114728257145,0.9842454252621479
EOS-2-42818,COc1cc(-c2nnc3cncc(OCc4ccnc(Br)c4)n23)ccc1-c1cnnn1C,ACTVVPRSGIEJMY-UHFFFAOYSA-N,2,1,0.478,16,940,493.325,3.332,5,0.332,0.61,1.0,0.4475532862723597,0.4495151120553766,0.4346429305736413,0.30458844493180726,0.4090749434582962
EOS-2-42819,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Br)cc5F)n34)cc2)c1,CLLNMJPFCLFWSE-UHFFFAOYSA-N,2,1,0.633,91,660,493.34,4.715,5,0.343,0.69,1.0,0.8863254746076349,0.87523130697005,0.8243095058597766,0.785021588650538,0.8427219690219999
EOS-2-42820,Clc1ccc(Cl)c(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,KTRYCVGTKPVJAX-UHFFFAOYSA-N,2,1,0.584,23,708,406.66,4.726,4,0.459,0.75,1.0,0.6170755945445823,0.758095743951751,0.9031337810979371,0.9559403056678775,0.8085613563155369
EOS-2-42821,Clc1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4Cl)n23)cc1,HUKIMJNSOUMJGI-UHFFFAOYSA-N,2,1,0.676,90,17,406.66,4.726,4,0.459,0.82,1.0,0.9594698786923446,0.9715235419093962,0.9410681241861422,0.9729542183537797,0.9612539407854156
EOS-2-42822,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cc2)nc1,LCCNHHOAVZXYEY-UHFFFAOYSA-N,2,1,0.617,91,803,493.354,5.185,5,0.309,0.71,1.0,0.9565571242546775,0.94999485984511,0.7863837296963881,0.782725652799671,0.8689153416489617
EOS-2-42823,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)ccc1-c1ccncn1,WHEXDOJJTCRHPQ-UHFFFAOYSA-N,2,1,0.58,91,313,493.354,5.185,5,0.309,0.67,1.0,0.9289630594201905,0.8780241244602838,0.8603162908642313,0.840158316770612,0.8768654478788295
EOS-2-42824,COCc1ncc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)c2)c(C)n1,ZGVHQCGDDCOWEE-UHFFFAOYSA-N,2,1,0.447,13,145,493.354,5.802,5,0.295,0.7,1.0,0.619817010485916,0.6590963607703378,0.7659087793845522,0.77563223905147,0.705113597423069
EOS-2-42825,COc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1Cl,NTFFIJIVEXOOMG-UHFFFAOYSA-N,2,1,0.586,35,352,493.354,5.185,5,0.289,0.73,1.0,0.884646357343568,0.8914399287231856,0.8030978000137071,0.7806524569940374,0.8399591357686245
EOS-2-42826,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1-c1ccccn1,BBLMTZNLTNJFQO-UHFFFAOYSA-N,2,1,0.593,49,703,493.354,5.185,5,0.309,0.77,0.998,0.8572493317798643,0.7311613323281475,0.7084846823384278,0.7079449660749777,0.7512100781303543
EOS-2-42827,CCOc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ccc(Cl)cc1,OPPNPORSCCAXER-UHFFFAOYSA-N,2,1,0.427,1,31,493.354,5.533,5,0.276,0.8,1.0,0.6058786238091974,0.6786032485778904,0.6876070865602083,0.7109091220615448,0.6707495202522102
EOS-2-42828,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)nc2)ccc1=O,GJMRZXIKMGCZPS-UHFFFAOYSA-N,2,1,0.6,84,308,493.354,4.48,5,0.347,0.77,1.0,0.7032417243506272,0.5302669453772874,0.8114419847851415,0.8279761496813104,0.7182317010485917
EOS-2-42829,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccc(Cl)nc1,ATGRHYHSMVAOHY-UHFFFAOYSA-N,2,1,0.563,35,111,493.354,5.185,5,0.289,0.68,1.0,0.9223322596120896,0.8780326913851004,0.8461894318415462,0.820068878075526,0.8666558152285655
EOS-2-42830,Clc1cc(Cl)nc(CCOc2cncc3nnc(-c4ccc(-c5nnc6n5CCC6)cc4)n23)c1,PJPXPDNPOVEHRU-UHFFFAOYSA-N,2,1,0.474,15,320,493.358,4.319,6,0.325,0.7,1.0,0.6085001028030979,0.592402851072579,0.03397642382290453,0.23878589541498182,0.3684163182783908
EOS-2-42831,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6n[nH]c(C(F)(F)F)n6)cc5)n34)o2)cc1,YOLJWTSYCMLDQI-UHFFFAOYSA-N,2,1,0.358,3,641,493.384,4.451,6,0.357,0.71,1.0,0.3383506956342951,0.5213573435679528,0.8259115208004935,0.7583441847714344,0.6109909361935439
EOS-2-42832,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Br)c5)n34)c2)cs1,MJADWOWSOGRDQT-UHFFFAOYSA-N,2,1,0.545,11,684,493.39,5.002,5,0.331,0.77,1.0,0.70022616681516,0.6834863957233911,0.46682886710986227,0.4348742375436913,0.5713539167980262
EOS-2-42833,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnco5)c(F)n4)n23)nc1N1CCOCC1,AYQAUNMHXLANPN-UHFFFAOYSA-N,2,1,0.339,51,773,493.434,2.325,6,0.323,0.7,1.0,0.3706908368172161,0.07293023096429306,0.0082499485984511,0.025238160509903365,0.1192772942224659
EOS-2-42834,OCC(CO)N=c1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)nn2)c[nH]1,WVXXKSAOVQQQKC-UHFFFAOYSA-N,2,1,0.453,54,573,493.434,1.296,5,0.304,0.34,0.003,0.5714395860461928,0.39963847577273665,0.5156860393393188,0.4754386265506134,0.4905506819272154
EOS-2-42835,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccc1Oc1ccccn1,TUQDNMQYPPOQQG-UHFFFAOYSA-N,2,1,0.706,79,640,493.445,5.341,5,0.274,0.76,1.0,0.9791481049962305,0.9907734219724488,0.9535244328695771,0.9126345007196217,0.9590201151394695
EOS-2-42836,COc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,WTJWQPJTMOOVNB-UHFFFAOYSA-N,2,1,0.573,1,640,493.445,5.34,5,0.303,0.77,1.0,0.9784713179357138,0.9362106778150915,0.9771520115139469,0.9285090124049071,0.9550857549174148
EOS-2-42837,Oc1cc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cn4)n23)ccc1-c1ccccc1,PGBPPOWUOZAANE-UHFFFAOYSA-N,2,1,0.605,1,640,493.445,5.079,5,0.338,0.72,0.998,0.9112894935234048,0.930008224247824,0.9624426016037283,0.9213384963333562,0.9312697039270783
EOS-2-42838,COc1cc(COc2cncc3nnc(-c4ccc(OCc5ccc(F)cc5F)cc4)n23)ncc1F,ROZUULXZAZNCOQ-UHFFFAOYSA-N,2,1,0.556,1,397,493.445,4.77,5,0.308,0.73,0.985,0.9357994654238915,0.934728599821808,0.9502947022136934,0.9012490576382701,0.9305179562744157
EOS-2-42839,COc1cc(-c2nnc3cncc(OCCc4ccnc(C(F)(F)F)c4)n23)ccc1-c1ccnnc1,AYALMRDXAMZOCE-UHFFFAOYSA-N,2,1,0.527,15,202,493.449,4.292,5,0.331,0.53,1.0,0.9097474470564046,0.8487081077376465,0.9417963127955589,0.8162908642313755,0.8791356829552464
EOS-2-42840,COc1nc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)cc4)n23)ccc1-c1cnccn1,QQQPYNQFPLXMDZ-UHFFFAOYSA-N,2,1,0.489,49,501,493.449,4.292,5,0.331,0.67,1.0,0.8163165650058255,0.6639366732917552,0.9074086765814543,0.7710403673497361,0.7896755705571927
EOS-2-42841,FC(F)n1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cscn5)no4)n23)cc1,DSJWDCHTXUQYJI-UHFFFAOYSA-N,2,1,0.464,40,8,493.459,4.135,6,0.323,0.67,1.0,0.5420121993009389,0.507735933109451,0.4160355698718388,0.38408094030566786,0.4624661606469741
EOS-2-42842,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ncccn6)nc5)n34)nc2)cn1,HXJAUYHKSAHFPP-UHFFFAOYSA-N,2,1,0.394,6,414,493.462,3.944,6,0.302,0.67,1.0,0.6852683160852581,0.47595264203961346,0.5156946062641354,0.39082311013638543,0.5169346686313481
EOS-2-42843,Cn1cc(-c2cc(F)c(-c3nnc4cncc(-c5ccc(-c6cn(C)c(=O)n6C#N)cn5)n34)cn2)cn1,MIMRUELIUIGLCH-UHFFFAOYSA-N,2,1,0.278,86,968,493.466,2.284,6,0.365,0.54,0.27,0.21120896443012815,0.3127612912069084,0.3310431087656775,0.3261942293194435,0.2953018984305394
EOS-2-42844,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(-c6cncnc6)n5)n34)cc2)n1,NYYUVPVFISISIY-UHFFFAOYSA-N,2,1,0.433,56,621,493.466,2.917,6,0.338,0.73,1.0,0.8507556027688301,0.7358817079021315,0.1938780755260092,0.15421321362483723,0.483682149955452
EOS-2-42845,Fc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1F,UNRNXUPEZVXALF-UHFFFAOYSA-N,2,1,0.456,17,960,493.473,6.716,6,0.257,0.8,1.0,0.5884877664313618,0.7173257487492289,0.9390548968542252,0.9285175793297238,0.7933464978411349
EOS-2-42846,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cc5)n34)nc2)nc1,DJUCNPAMMZRBGV-UHFFFAOYSA-N,2,1,0.545,41,120,493.477,5.168,6,0.316,0.73,1.0,0.7722654375985196,0.7581043108765677,0.8528030978000137,0.8360461928586115,0.8048047597834281
EOS-2-42847,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)cn2)ccn1,ZZNDLZYZHIGMAI-UHFFFAOYSA-N,2,1,0.506,77,427,493.477,5.168,6,0.296,0.56,1.0,0.9142707833596052,0.7581128778013844,0.8689260503049825,0.8360547597834281,0.84434111781235
EOS-2-42848,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)nc5)n34)cc2)cc1F,BUSKHXMRADSTHT-UHFFFAOYSA-N,2,1,0.553,41,492,493.477,5.168,6,0.316,0.74,1.0,0.9358080323487081,0.8859399629908848,0.8647282571448153,0.8457353848262628,0.8830529093276678
EOS-2-42849,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nn5)n34)cc2)c(F)c1,ZWFVTIWDVRNEHP-UHFFFAOYSA-N,2,1,0.54,12,492,493.477,5.168,6,0.316,0.74,1.0,0.7605972859982181,0.8162822973065589,0.8586286066753478,0.8579689534644644,0.8233692858611472
EOS-2-42850,COc1ncc(-c2ncc(F)c(F)n2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,UUMVOYVZUVYNIP-UHFFFAOYSA-N,2,1,0.358,93,987,493.477,5.264,6,0.303,0.67,1.0,0.5856606812418614,0.6442927146871359,0.7563909259132342,0.7293708450414639,0.6789287917209238
EOS-2-42851,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)c(F)c3)n12,YRRXMUWBPTTWPT-UHFFFAOYSA-N,2,1,0.352,69,192,493.477,5.264,6,0.323,0.7,1.0,0.5010708656020835,0.5165855664450689,0.9129943115619217,0.9000068535398533,0.7076643992872318
EOS-2-42852,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)c2)nn1,XEALPRVVCBLUOQ-UHFFFAOYSA-N,2,1,0.511,12,808,493.477,5.168,6,0.296,0.53,1.0,0.9183657734219725,0.812255842642725,0.8528116647248304,0.8320197381947776,0.8538632547460764
EOS-2-42853,Fc1ccc(-c2ncc(F)cc2COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1,XODCOEYRZUXFQF-UHFFFAOYSA-N,2,1,0.511,28,177,493.477,5.168,6,0.316,0.75,1.0,0.8882530326913851,0.8487166746624631,0.8031063669385238,0.8009132341854568,0.8352473271194572
EOS-2-42854,Fc1cc(F)cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)c1,XYFSVKCZGSBQLN-UHFFFAOYSA-N,2,1,0.63,41,592,493.477,5.168,6,0.316,0.66,1.0,0.7123654992803783,0.745176821328216,0.8845349873209513,0.867623877732849,0.8024252964155987
EOS-2-42855,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)cc2)cc1F,AQDHCMLDNDDXPC-UHFFFAOYSA-N,2,1,0.528,12,492,493.477,5.168,6,0.316,0.74,1.0,0.8033376739085738,0.8487252415872798,0.8224590500993764,0.8095401274758413,0.8210155232677678
EOS-2-42856,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5cccc(-c6ccc(F)nn6)c5)n34)c2)nc1,RSWRPSNXYWHVDE-UHFFFAOYSA-N,2,1,0.506,77,808,493.477,5.168,6,0.316,0.67,1.0,0.8163251319306422,0.7218062504283462,0.8542937427181139,0.8401668836954287,0.8081480021931328
EOS-2-42857,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cn5)n34)cc2)cn1,IYYWTCLGVFAZFW-UHFFFAOYSA-N,2,1,0.458,41,190,493.477,5.168,6,0.296,0.76,1.0,0.7892108148858885,0.6688969227606059,0.897668083064903,0.8752398738948667,0.8077539236515661
EOS-2-42858,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)cc5)n34)nc2)cc1F,VHBXPIUQHYTEBR-UHFFFAOYSA-N,2,1,0.483,41,177,493.477,5.168,6,0.316,0.77,1.0,0.8936416284010692,0.7794273867452539,0.8730895757658831,0.8529487355218971,0.8497768316085259
EOS-2-42859,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cc2)cc1F,SCJPQARIDLWMQZ-UHFFFAOYSA-N,2,1,0.522,12,492,493.477,5.168,6,0.316,0.67,0.999,0.7781423480227537,0.8277619765608937,0.8573007333287643,0.8493334932492632,0.8281346377904187
EOS-2-42860,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)n2)nc1,SSHHEJVPMVLISH-UHFFFAOYSA-N,2,1,0.517,12,285,493.477,5.168,6,0.316,0.75,1.0,0.727923034747447,0.7621907340141183,0.7495031183606332,0.7608628606675348,0.7501199369474334
EOS-2-42861,Cn1cc(-c2nnc3cncc(-c4cnn(-c5nc(C(F)F)cs5)c4)n23)c(-c2cccc(F)c2)n1,GKRJPNYBOQZGQA-UHFFFAOYSA-N,2,1,0.312,10,151,493.478,4.578,6,0.349,0.65,0.601,0.009663491193201288,0.14672572133506956,0.5624614488383249,0.5728359947913098,0.3229216640394764
EOS-2-42862,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cc(F)c(C)nc5-c5ccc(F)cn5)n34)nc2)cn1,NSPWLHCRIWQKFA-UHFFFAOYSA-N,2,1,0.289,70,72,493.481,4.662,6,0.349,0.6,0.982,0.3285844013432938,0.4319614831060243,0.5291789459255706,0.5098947981632513,0.44990490713453496
EOS-2-42863,COc1cc(-c2nnc3cncc(OCc4cccc(-c5noc(C)n5)n4)n23)ccc1-c1cncnc1,BSULFRKTVAUVIJ-UHFFFAOYSA-N,2,1,0.465,40,868,493.487,3.589,6,0.322,0.61,1.0,0.2842676992666712,0.23551333013501474,0.23266054417106435,0.14664861901171955,0.22477254814611747
EOS-2-42864,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nnn(C)n6)n5)n34)cc2)cn1,JPAUBVSXGXMFCC-UHFFFAOYSA-N,2,1,0.416,56,415,493.491,2.421,6,0.323,0.7,1.0,0.2980261805222397,0.21022376807621138,0.09788568295524638,0.06587108491535879,0.16800167911726405
EOS-2-42865,COc1nc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)ccc1-c1ccnn1C,OBILTXGPWLRXSG-UHFFFAOYSA-N,2,1,0.336,80,350,493.491,2.421,6,0.323,0.59,0.998,0.19172777739702557,0.08345041463916113,0.12246419025426633,0.06267562195874168,0.11507950106229867
EOS-2-42866,COCn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6noc(C7CC7)n6)cc5)n34)nc2)n1,RSQSVZXUUVCUFO-UHFFFAOYSA-N,2,1,0.287,98,882,493.491,3.038,7,0.323,0.68,1.0,0.18326365567815778,0.0962322664656295,0.007059146048934275,0.014246795970118567,0.07520046604071003
EOS-2-42867,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccn5)nn4)n23)cc1,PNNRALZIHUBFJB-UHFFFAOYSA-N,2,1,0.516,67,415,493.491,2.581,6,0.308,0.65,1.0,0.43340929340004114,0.33188266739771094,0.06608525803577547,0.051230210403673496,0.22065185730930026
EOS-2-42868,COc1nc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1ccc(-c2nncn2C)cn1,BODGPMCRACBLNV-UHFFFAOYSA-N,2,1,0.365,71,826,493.491,2.421,6,0.323,0.64,1.0,0.27569220752518675,0.12881228154341717,0.07669967788362689,0.04451374134740593,0.13142947707490918
EOS-2-42869,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)c(F)c1,GVYSGGCMVVKHPO-UHFFFAOYSA-N,2,1,0.529,17,960,493.502,5.097,6,0.306,0.75,1.0,0.72493317798643,0.6932783907888425,0.7268179014460969,0.6883609759440751,0.7083476115413612
EOS-2-42870,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Oc6ccccc6)n5)n34)cc2F)cn1,NLVZEXXQIWQORD-UHFFFAOYSA-N,2,1,0.495,17,960,493.502,5.097,6,0.306,0.69,1.0,0.5972688643684463,0.5491227468987732,0.7370982112260983,0.6534678911657871,0.6342394284147762
EOS-2-42871,c1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cn4)n23)cs1,HFTINJKTOMJSEC-UHFFFAOYSA-N,2,1,0.494,18,529,406.496,3.993,5,0.424,0.66,1.0,0.49602494688506615,0.43654478788294154,0.2761805222397368,0.2655489685422521,0.3685748063874992
EOS-2-42872,c1cc(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)cs1,MAYYYACZRRHWBL-UHFFFAOYSA-N,2,1,0.562,2,419,406.496,3.993,5,0.424,0.67,1.0,0.5036580768967172,0.40439311904598724,0.334821122609828,0.3200003426769927,0.3907181653073813
EOS-2-42873,Cc1cnsc1COc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,RWHWWVAEHCRAIH-UHFFFAOYSA-N,2,1,0.506,75,496,406.496,4.259,5,0.434,0.72,1.0,0.4084281406346378,0.35170653142348024,0.21812247275717908,0.21552669453772874,0.29844595983825645
EOS-2-42874,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)cs1,SJDQUZWMTPYLOO-UHFFFAOYSA-N,2,1,0.575,97,506,406.496,4.259,5,0.434,0.75,1.0,0.3800887533411007,0.3418631348091289,0.2468045370433829,0.2209923925707628,0.29743720444109384
EOS-2-42875,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ccccc5)nn4)n23)cc1,NGQXUMAGLXGEAM-UHFFFAOYSA-N,2,1,0.473,67,755,493.506,4.245,6,0.325,0.69,1.0,0.5714481529710095,0.5031183606332671,0.31258138578575834,0.3294496607497773,0.42914939003495306
EOS-2-42876,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nncn5Cc5ccccn5)cc4)n23)cn1,AZEZEDMQMABGAA-UHFFFAOYSA-N,2,1,0.505,67,755,493.506,3.649,6,0.296,0.68,1.0,0.7606058529230347,0.5674131313823589,0.39088307861010213,0.37474299225549995,0.5234112637927489
EOS-2-42877,CCn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccc(C)n5)cn4)n23)c(F)c1,BPWZTNGZEHQDAC-UHFFFAOYSA-N,2,1,0.343,67,622,493.506,4.767,6,0.327,0.69,1.0,0.4107754780344048,0.48043314371873075,0.3571979302309643,0.31087656774724143,0.3898207799328353
EOS-2-42878,COc1nc(-c2cnn(C)c2)ccc1-c1cncc2nnc(-c3ccc(-c4cnc(C)nc4)c(F)c3)n12,AOJCNYVKERXXRU-UHFFFAOYSA-N,2,1,0.32,42,725,493.506,4.167,6,0.352,0.58,1.0,0.3752912754437667,0.37582242478240013,0.5460215201151395,0.40931053389075456,0.42661143855801525
EOS-2-42879,FCCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)cc1,AUUZEEPRRLRHMZ-UHFFFAOYSA-N,2,1,0.479,40,755,493.506,4.055,6,0.312,0.68,1.0,0.5112398053594681,0.2409276266191488,0.36087314097731477,0.34228291412514567,0.3638308717702693
EOS-2-42880,CCn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nn4)n23)c1,RLYYXZFWCIQNGF-UHFFFAOYSA-N,2,1,0.463,77,755,493.506,4.245,6,0.325,0.68,1.0,0.6367538208484682,0.5077445000342677,0.3983620039750531,0.4221523541909396,0.49125316976218214
EOS-2-42881,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(F)nn5)cc4)n23)cc1,XPJNKPIXYNHWNR-UHFFFAOYSA-N,2,1,0.59,67,755,493.506,3.804,6,0.33,0.67,1.0,0.9302480981426907,0.7923634432184223,0.47366527311356316,0.4316016722637242,0.6569696216846002
EOS-2-42882,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)ccc1F,RUJTYAAATGRYJX-UHFFFAOYSA-N,2,1,0.451,81,218,493.506,4.245,6,0.325,0.67,0.986,0.4405198409978754,0.4804417106435474,0.4770406414913303,0.4221609211157563,0.4550407785621273
EOS-2-42883,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)cc1F,FMEWLVJUPCVSMV-UHFFFAOYSA-N,2,1,0.454,40,755,493.506,4.245,6,0.325,0.61,1.0,0.5630697005003084,0.5491313138235899,0.35720649715578096,0.36191830580494827,0.45783145432115685
EOS-2-42884,Cn1cc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cn5)n34)nc2)cn1,WTLAPPJMNWQVHS-UHFFFAOYSA-N,2,1,0.448,6,529,493.506,3.804,6,0.309,0.61,1.0,0.4762953190322802,0.43197005003084094,0.5323487081077376,0.4537900075388938,0.47360102117743813
EOS-2-42885,CCn1cnc(-c2cc(F)c(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)cn2)c1,MWJGSXLBCXGRBZ-UHFFFAOYSA-N,2,1,0.474,28,297,493.506,4.245,6,0.325,0.58,0.999,0.4886830923171818,0.4671030087039956,0.36465115482146526,0.30770680556507435,0.40703601535192924
EOS-2-42886,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6C)cn5)n34)cc2F)n1,XWIVKFUFJFKBKB-UHFFFAOYSA-N,2,1,0.495,80,355,493.506,4.164,6,0.34,0.56,1.0,0.4451545473236927,0.3946610924542526,0.5222397368240697,0.4058751970392708,0.44198264341032145
EOS-2-42887,CCOc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cn(C)nn6)ccc5F)n34)cc2)cn1,HTOWPELTVVTSIF-UHFFFAOYSA-N,2,1,0.306,9,725,493.506,4.249,6,0.339,0.67,1.0,0.3056250428346241,0.33679151531766155,0.5157031731889521,0.4441522171201426,0.4005679871153451
EOS-2-42888,Cn1c(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)nnc1-c1ccc(F)cc1,NWTBPDCUYLEZBQ-UHFFFAOYSA-N,2,1,0.473,40,529,493.506,3.804,6,0.33,0.74,1.0,0.5186501953258859,0.5119337262696183,0.2114916729490782,0.2981718182441231,0.38506185319717634
EOS-2-42889,Cn1cc(CCOc2cncc3nnc(-c4csc(-c5ccn(C)n5)c4)n23)cn1,SNBLQEXJVNIWIW-UHFFFAOYSA-N,2,1,0.481,92,847,406.475,2.608,5,0.431,0.66,1.0,0.2814491810019875,0.08980707285312864,0.11079603865396477,0.07517476526626002,0.13930676444383525
EOS-2-42890,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc6ccccc6n5)n34)nc2)c1,JJFSEAJOSXOHNT-UHFFFAOYSA-N,2,1,0.271,32,687,406.474,5.13,6,0.407,0.81,1.0,0.10656397779453088,0.23058734836543074,0.5191385100404359,0.6186947433349325,0.3687461448838325
EOS-2-42891,OCCCOc1cccc(COc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cc4)n23)c1,NBTQZSPAFUAMQE-UHFFFAOYSA-N,2,1,0.517,77,755,493.527,3.841,6,0.302,0.64,1.0,0.7808066616407374,0.530275512302104,0.4455828935645261,0.4156586251799054,0.5430809231718182
EOS-2-42892,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cn(C)c(-c5cccnc5)n4)n23)cc1O,HJWCDYZOYUDHOS-UHFFFAOYSA-N,2,1,0.44,56,846,493.531,3.314,6,0.36,0.54,1.0,0.3956805565074361,0.2559711465972175,0.24328353094373245,0.18134466451922418,0.2690699746419026
EOS-2-42893,Cc1ccccc1Oc1nc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)nn1C,HZJYDFBQYKATEG-UHFFFAOYSA-N,2,1,0.448,77,755,493.531,4.0,6,0.328,0.69,1.0,0.38685662394626824,0.24597354533616614,0.15205434857103695,0.09534987320951271,0.22005859776574602
EOS-2-42894,COc1ccc(-c2cn(C)nn2)cc1COc1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,VGWKCYMTQPQGCZ-UHFFFAOYSA-N,2,1,0.452,56,755,493.531,3.575,6,0.332,0.73,1.0,0.29256904941402234,0.15846240833390446,0.40181447467617026,0.24159584675484888,0.2736104447947365
EOS-2-42895,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(OC)ccc4-n4cccc4)n23)nc1,PKVYWXOEEPDXOD-UHFFFAOYSA-N,2,1,0.346,6,843,493.531,3.843,6,0.315,0.58,0.985,0.26004900280995136,0.1394781029401686,0.24681310396819958,0.13944383524090193,0.19644601123980537
EOS-2-42896,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6nncc(-c7ccccc7)n6)c5)n34)cc2)cc1,ARANAAQZKRXODG-UHFFFAOYSA-N,2,1,0.325,21,810,493.534,5.163,7,0.326,0.69,1.0,0.006579398259200877,0.06554554177232541,0.48420259063806453,0.5728445617161264,0.28229302309642934
EOS-2-42897,CC(C)(C)c1nn(Cc2ccccc2)c2nccc(Oc3cncc4nnc(-c5ccc(F)cc5)n34)c12,PVOIDVWERNDWAO-UHFFFAOYSA-N,2,1,0.462,79,347,493.546,5.813,6,0.301,0.69,1.0,0.5293845521211706,0.6834949626482077,0.4237201014323898,0.3747515591803166,0.5028377938455212
EOS-2-42898,CS(=O)(=O)c1cccc(Oc2cncc3nnc(-c4cccc(-c5cnc6ccccc6c5)c4)n23)c1,MBQYCCCLOQALEY-UHFFFAOYSA-N,2,1,0.433,17,960,493.548,5.202,6,0.325,0.8,1.0,0.6030344047700638,0.4891714070317319,0.7010228908231101,0.7188163936673292,0.6280112740730588
EOS-2-42899,C=Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5)n34)cc2)nn1,SMIPLXSLEIKYPH-UHFFFAOYSA-N,2,1,0.61,77,347,406.449,4.47,5,0.414,0.79,1.0,0.7865636351175382,0.6250942361729833,0.5291875128503872,0.46621204852306214,0.6017643581659927
EOS-2-42900,COc1ncc(-c2cscn2)cc1COc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,KXSNRIVBBCPPCL-UHFFFAOYSA-N,2,1,0.429,28,363,493.552,4.959,6,0.308,0.68,1.0,0.48356863820163115,0.3418717017339456,0.4491038996641765,0.3519635391679803,0.4066269446919334
EOS-2-42901,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cn5)n34)nc2)s1,JFUNGLUXBNTBDR-UHFFFAOYSA-N,2,1,0.448,28,410,493.552,5.385,6,0.292,0.78,1.0,0.3259543554245768,0.302480981426907,0.4420618874648756,0.35832019738194776,0.35720435542457674
EOS-2-42902,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncccc6O)cc5)n34)cc2)s1,JPDPJEKLBSDAMZ-UHFFFAOYSA-N,2,1,0.494,77,323,493.552,4.965,6,0.346,0.65,1.0,0.4334178603248578,0.3758309917072168,0.43850661366595844,0.37147042697553284,0.4048064731683915
EOS-2-42903,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)cc2F)n1,FRIVGLWQWJHXED-UHFFFAOYSA-N,2,1,0.524,16,256,406.446,3.971,5,0.442,0.67,1.0,0.6763330135014735,0.6112158179699815,0.6684428757453225,0.6129720375573984,0.6422409361935439
EOS-2-42904,Fc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1cc[nH]n1,YUQWYCOLPFYXBF-UHFFFAOYSA-N,2,1,0.558,35,619,406.446,4.004,5,0.461,0.6,1.0,0.8789150846412171,0.7959529847166061,0.6492101295319033,0.6391782605715852,0.740814114865328
EOS-2-42905,Cc1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nnc(C)s6)cc5)n34)nc2)cn1,GLBHOIFMNJEWDH-UHFFFAOYSA-N,2,1,0.506,40,25,493.556,4.358,6,0.333,0.67,1.0,0.38009732026591736,0.3806113357549174,0.25052258241381675,0.170130559934206,0.2953404495922144
EOS-2-42906,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncnn5C)n34)cn2)s1,KQGYHPIMWQHABT-UHFFFAOYSA-N,2,1,0.396,92,105,406.435,1.721,5,0.429,0.66,1.0,0.2980347474470564,0.2767802069769036,0.007444657665684326,0.0035381399492838052,0.14644943800973204
EOS-2-42907,CCc1ncc(COc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)s1,KUVKWWMFEMXHAK-UHFFFAOYSA-N,2,1,0.506,92,36,406.431,2.834,5,0.419,0.69,1.0,0.24681310396819958,0.2355218970598314,0.04220067164690563,0.03291412514563772,0.1393624494551436
EOS-2-42908,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5csc(C)n5)n34)cn2)no1,RGYTWJSUTFRRLM-UHFFFAOYSA-N,2,1,0.466,7,464,406.431,2.889,5,0.434,0.76,1.0,0.3407323007333288,0.3612929202933315,0.030198409978754028,0.016602700294702212,0.1872065828250291
EOS-2-42909,Cn1nc(-c2nnc3cncc(OCc4sccc4O)n23)cc1-c1cnccn1,ZAFLHVWJDPQPGX-UHFFFAOYSA-N,2,1,0.385,7,828,406.431,2.328,5,0.473,0.58,0.748,0.20840758001507778,0.13948666986498526,0.07460934822835995,0.05669590843670756,0.11979987663628264
EOS-2-42910,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5nnc(C)s5)c4)n23)co1,WVYKOWLWJJIHMQ-UHFFFAOYSA-N,2,1,0.512,4,241,406.431,2.889,5,0.434,0.72,1.0,0.2757007744500034,0.23553046398464808,0.032588582002604345,0.01829895140840244,0.14052969296141457
EOS-2-42911,OCc1ccc(-c2nnc3cncc(OCc4noc(-c5ccsc5)n4)n23)cc1,XRLKIRGUCVEUQJ-UHFFFAOYSA-N,2,1,0.529,89,335,406.427,2.974,5,0.458,0.76,1.0,0.6141200054828319,0.4365533548077582,0.23983962716743198,0.21819100815571243,0.37717599890343356
EOS-2-42912,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cocn1,OMPFCTKQFLVITO-UHFFFAOYSA-N,2,1,0.5,97,383,406.427,3.49,5,0.422,0.7,1.0,0.46637482009457887,0.30248954835172365,0.3419231032828456,0.23279761496813103,0.3358962716743198
EOS-2-42913,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cnco1,NCNIJWUMSXBEIH-UHFFFAOYSA-N,2,1,0.519,97,103,406.427,3.49,5,0.422,0.68,1.0,0.47393084778287986,0.3076211363169077,0.37225001713384964,0.25334110067850046,0.3517857754780344
EOS-2-42914,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)s4)n23)cc1,OPXSKTLXCOGJGL-UHFFFAOYSA-N,2,1,0.529,89,770,406.427,2.974,5,0.458,0.76,1.0,0.6058871907340141,0.5031269275580837,0.33482968953464465,0.28324823521348774,0.4317730107600576
EOS-2-42915,OCc1ccc(-c2nnc3cncc(OCc4noc(-c5cccs5)n4)n23)cc1,MIGXUPHJGFDRLN-UHFFFAOYSA-N,2,1,0.517,89,731,406.427,2.974,5,0.458,0.78,1.0,0.6310139812213008,0.48917997395654855,0.19043417174970872,0.1784918785552738,0.37228000137070794
EOS-2-42916,CS(=O)(=O)Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)cn1,BPDRRSWOLYTQSY-UHFFFAOYSA-N,2,1,0.512,65,454,493.574,2.871,5,0.321,0.7,1.0,0.32596292234939345,0.21023233500102803,0.048668699883489826,0.04590158316770612,0.15769138510040437
EOS-2-42917,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5F)n34)s2)nn1,NGCOFJHZNPRPQZ-UHFFFAOYSA-N,2,1,0.395,22,140,406.421,4.563,5,0.439,0.79,1.0,0.2953961346035227,0.5491398807484066,0.7084932492632444,0.755594201905284,0.5771558666301144
EOS-2-42918,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccsc5)cc4)n23)cc1F,LOXPHSOFWQJLMS-UHFFFAOYSA-N,2,1,0.579,13,15,406.417,5.59,5,0.39,0.82,1.0,0.9211500239873894,0.8830786101021177,0.9572681790144609,0.9602923034747447,0.9304472791446783
EOS-2-42919,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)n[nH]1,NPRRGWJYPTYBFW-UHFFFAOYSA-N,2,1,0.355,9,537,406.413,3.028,6,0.461,0.59,1.0,0.20549482557741072,0.15069220752518675,0.3534713179357138,0.35197210609279694,0.26540761428277704
EOS-2-42920,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n[nH]1,FPCLWXZQMBZWBC-UHFFFAOYSA-N,2,1,0.286,38,7,406.413,3.029,6,0.461,0.6,1.0,0.12514563772188336,0.15469296141457062,0.3382735933109451,0.32945822767459393,0.23689260503049825
EOS-2-42921,FC(F)c1ccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)n2)cc1,CIABFPDGRUDCSN-UHFFFAOYSA-N,2,1,0.287,32,126,493.589,7.309,6,0.253,0.7,1.0,0.09185456788431225,0.14308477828798574,0.8333047769172778,0.847483037488863,0.47893179014460974
EOS-2-42922,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)c1,ONJILKMEWWFQHR-UHFFFAOYSA-N,2,1,0.28,38,154,406.409,3.898,6,0.473,0.72,1.0,0.20005482831882668,0.13568295524638477,0.45288191350832707,0.4537985744637105,0.31060456788431223
EOS-2-42923,N#Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,MAGKHCZREJTUIO-UHFFFAOYSA-N,2,1,0.524,89,731,406.409,3.094,5,0.437,0.8,1.0,0.7249417449112466,0.7081505722705778,0.5789527791104105,0.5368463436364882,0.6372228599821809
EOS-2-42924,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)n[nH]1,VSASLQRDFZIVNV-UHFFFAOYSA-N,2,1,0.311,9,834,406.409,3.898,6,0.473,0.69,1.0,0.20006339524364333,0.14309334521280243,0.5493540538688233,0.5338136522513879,0.35658111164416423
EOS-2-42925,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cn5)n34)cn2)c1,GWMVYDJJLICFAO-UHFFFAOYSA-N,2,1,0.284,32,191,406.409,3.898,6,0.473,0.68,0.999,0.19436639024055924,0.13211911452265096,0.43465149749845794,0.43161023918854086,0.29818681036255223
EOS-2-42926,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)n[nH]1,DGHZLPYCFPYGMQ-UHFFFAOYSA-N,2,1,0.31,9,894,406.409,3.898,6,0.473,0.67,1.0,0.19437495716537592,0.20090295387567678,0.5392108148858885,0.5338222191762045,0.36707773627578644
EOS-2-42927,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cc1,BAORVUUNCWEBBH-UHFFFAOYSA-N,2,1,0.603,89,770,406.409,3.094,5,0.437,0.78,1.0,0.90024672743472,0.7404992803783154,0.54936262079364,0.4904907134534987,0.6701498355150436
EOS-2-42928,N#Cc1cnccc1COc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,YYLQQWNPXDQRFE-UHFFFAOYSA-N,2,1,0.488,40,355,406.409,3.094,5,0.437,0.74,1.0,0.7865722020423549,0.6443012816119525,0.6632256185319718,0.5945874169008293,0.672171629771777
EOS-2-42929,c1c[nH]c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)nc5)n34)cn2)n1,BXACQQFKRGHJKO-UHFFFAOYSA-N,2,1,0.299,42,723,406.409,3.898,6,0.473,0.65,0.72,0.10657254471934755,0.1092454252621479,0.44559146048934273,0.437692755808375,0.2747755465698033
EOS-2-42930,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cc1,YVHVRBMEOUBQRM-UHFFFAOYSA-N,2,1,0.561,89,770,406.409,3.094,5,0.437,0.75,1.0,0.7339027482694812,0.7311698992529642,0.5425861832636557,0.487415187444315,0.623768504557604
EOS-2-42931,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)o2)cc1,KUVFFGDNEJVYIU-UHFFFAOYSA-N,2,1,0.347,93,641,406.409,3.898,6,0.473,0.76,1.0,0.16379103556987185,0.20091152080049346,0.32356418340072646,0.37810979370845044,0.2665941333698856
EOS-2-42932,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)nn4)n23)cc1,KODUNEPNZVAHJX-UHFFFAOYSA-N,2,1,0.543,81,268,406.409,3.094,5,0.437,0.76,1.0,0.7032502912754438,0.7173343156740456,0.48421115756288124,0.4692875745322459,0.5935208347611541
EOS-2-42933,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(CO)nc5)n34)cn2)cn1,OMSCLFDOWFLIDI-UHFFFAOYSA-N,2,1,0.35,82,514,406.409,2.674,5,0.483,0.81,1.0,0.2980433143718731,0.29756356658213967,0.6165530121307655,0.5568329792337743,0.44224821807963816
EOS-2-42934,N#Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnc5)n4)n23)cc1,MHBDMZKZTGDCEV-UHFFFAOYSA-N,2,1,0.524,89,731,406.409,3.094,5,0.437,0.76,1.0,0.7218062504283462,0.7264752244534302,0.5085240901925845,0.4724659036392297,0.6073178671783976
EOS-2-42935,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccn6)c5)n34)o2)cc1,YYZYNWGQUVSEHL-UHFFFAOYSA-N,2,1,0.266,30,195,406.409,3.694,6,0.44,0.84,1.0,0.00269858131725036,0.0010365979028168048,0.27202556370365294,0.32000890960180933,0.14894241313138235
EOS-2-42936,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2)cn1,DHGTWJTUCXWLPD-UHFFFAOYSA-N,2,1,0.512,40,815,406.409,3.094,5,0.437,0.71,1.0,0.6198255774107326,0.629771777122884,0.6075234733739977,0.5438026865876225,0.6002308786238093
EOS-2-42937,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cc1,NOHLWSCGMLMETK-UHFFFAOYSA-N,2,1,0.324,3,668,406.409,3.694,6,0.44,0.74,1.0,0.04161812075937221,0.04997943938044,0.43851518059077516,0.447519018573093,0.24440793982592007
EOS-2-42938,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)n[nH]1,WBPQKFCIIHPQMT-UHFFFAOYSA-N,2,1,0.295,38,57,406.409,3.898,6,0.473,0.68,1.0,0.1804108697142074,0.15847097525872114,0.5323572750325544,0.509903365088068,0.3452856212733877
EOS-2-42939,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)nn2)cc1,XZMMXAMCNGRNOB-UHFFFAOYSA-N,2,1,0.283,10,37,406.409,3.694,6,0.44,0.77,0.998,0.0033068329792337744,0.007753066959084367,0.30880337194160784,0.37147899390034955,0.17283556644506887
EOS-2-42940,N#Cc1ccc(-c2nnc3cncc(OCc4cccnc4-c4cncnc4)n23)cc1,IYYZMTSBQRYHTQ-UHFFFAOYSA-N,2,1,0.5,89,731,406.409,3.094,5,0.437,0.8,1.0,0.8572578987046809,0.7173428825988624,0.6280926598588171,0.582319580563361,0.6962532554314304
EOS-2-42941,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cc2)n[nH]1,IJCGNIPNSMALEJ-UHFFFAOYSA-N,2,1,0.311,9,834,406.409,3.898,6,0.473,0.69,1.0,0.20007196216846002,0.14310191213761908,0.5493711877184566,0.5338307861010212,0.3565939620313892
EOS-2-42942,c1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)on2)c1,XZZJKCHDQRDZER-UHFFFAOYSA-N,2,1,0.286,9,57,406.409,3.898,6,0.473,0.59,1.0,0.122498457953533,0.14673428825988624,0.49419162497429925,0.49665889932149954,0.3150208176273045
EOS-2-42943,Fc1cc(-c2nnc3cncc(OCc4nncs4)n23)ccc1-c1cncnc1,MKWXQIZENHDOBS-UHFFFAOYSA-N,2,1,0.518,4,817,406.406,2.818,5,0.439,0.64,1.0,0.5742495373860599,0.6545730244671373,0.35347988486053045,0.3908316770612021,0.49328353094373245
EOS-2-42944,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)cc1,HJPWKVHLZJAUOW-UHFFFAOYSA-N,2,1,0.577,72,226,406.406,2.818,5,0.439,0.71,1.0,0.5769738194777603,0.6885066136659584,0.2684959906791858,0.3327907614282777,0.46669179631279556
EOS-2-42945,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ncn2)c1,ZUOOWTPFUJZMPE-UHFFFAOYSA-N,2,1,0.398,46,395,406.406,2.818,5,0.439,0.73,0.816,0.547143787266123,0.45826194229319445,0.3088119388664245,0.3170361866904256,0.40781346377904193
EOS-2-42946,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ncn2)cn1,QBJDMYWQSPXKOS-UHFFFAOYSA-N,2,1,0.387,7,296,406.406,2.818,5,0.439,0.61,0.891,0.5884963333561785,0.4713436364882462,0.2872318552532383,0.27725995476663695,0.40608294496607494
EOS-2-42947,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ncn2)cn1,RFNFHQBNXWZIQG-UHFFFAOYSA-N,2,1,0.418,46,395,406.406,2.818,5,0.411,0.66,0.984,0.5293931190459873,0.4671115756288123,0.3163422657802755,0.30459701185662397,0.4043609930779247
EOS-2-42948,Fc1cccnc1-c1nnc2cncc(OCc3cncc(-c4cncs4)n3)n12,LOPYTPHJJLEEEN-UHFFFAOYSA-N,2,1,0.427,7,94,406.406,2.818,5,0.439,0.66,1.0,0.4911160989651155,0.5259320814200534,0.177455280652457,0.20940991021862793,0.3509783428140635
EOS-2-42949,Fc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cnsc5)c4)n23)cn1,MLHZCEAJKSTCCQ-UHFFFAOYSA-N,2,1,0.453,55,875,406.406,2.818,5,0.411,0.51,1.0,0.5885049002809951,0.582627989856761,0.4018230416009869,0.3937101637996025,0.49166652388458637
EOS-2-42950,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)ccn1,PNMHOQFOPNFZAO-UHFFFAOYSA-N,2,1,0.402,46,395,406.406,2.818,5,0.411,0.58,0.997,0.4710437941196628,0.40440168597080395,0.29427386745253925,0.29818038516893974,0.36697493317798646
EOS-2-42951,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cc5)n34)cc2)c1,GSWDMUIYEAOIOI-UHFFFAOYSA-N,2,1,0.359,69,867,406.405,4.768,6,0.416,0.79,1.0,0.23594167637584812,0.1467428551847029,0.6520971831951203,0.6507093413748201,0.4213727640326228
EOS-2-42952,c1coc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cc2)n1,CAGYNANXCGIJEE-UHFFFAOYSA-N,2,1,0.379,69,898,406.405,4.768,6,0.416,0.77,1.0,0.20275340963607702,0.17015626070865603,0.622395654855733,0.5791840860804606,0.3936223528202316
EOS-2-42953,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)c1,OUVCDCSOMOFALB-UHFFFAOYSA-N,2,1,0.328,69,894,406.405,4.768,6,0.416,0.77,1.0,0.22483894181344666,0.15070077445000343,0.6684514426701391,0.6622147214036049,0.4265514700842985
EOS-2-42954,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cc2)co1,HQFOVZCYNHYDST-UHFFFAOYSA-N,2,1,0.379,69,898,406.405,4.768,6,0.416,0.75,1.0,0.2027619765608937,0.16232609142622165,0.6958313343842094,0.6767699266671235,0.43442233225961213
EOS-2-42955,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cc2)o1,VETTZVGAXBLMML-UHFFFAOYSA-N,2,1,0.377,69,958,406.405,4.768,6,0.416,0.77,1.0,0.23029607292166404,0.1584795421835378,0.737106778150915,0.7109176889863614,0.4592000205606196
EOS-2-42956,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)co1,PSVDOQPTUCWERG-UHFFFAOYSA-N,2,1,0.338,42,174,406.405,4.768,6,0.416,0.8,1.0,0.2248475087382633,0.15848810910835445,0.6985127818518264,0.6736858337331232,0.43888355835789183
EOS-2-42957,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)o2)cc1,OVHOJAZLNJXJFJ-UHFFFAOYSA-N,2,1,0.368,93,641,406.405,4.768,6,0.416,0.88,1.0,0.20277054348571036,0.13949523678980194,0.4528904804331437,0.5099119320128846,0.32626704818038516
EOS-2-42958,c1cc(-c2cnco2)cc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1,GGGVWMKHCMNUQI-UHFFFAOYSA-N,2,1,0.381,69,30,406.405,4.768,6,0.416,0.78,1.0,0.2303046398464807,0.11840346789116579,0.7217976835035296,0.7024364334178603,0.44323555616475907
EOS-2-42959,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cc5)n34)cc2)n1,BTBZYVKWYSEYAS-UHFFFAOYSA-N,2,1,0.379,69,898,406.405,4.768,6,0.416,0.74,1.0,0.2055033925022274,0.1788345555479405,0.660612706462888,0.6301487218148174,0.41877484408196836
EOS-2-42960,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccccc3F)n12,BWXLUSOKERJOSA-UHFFFAOYSA-N,2,1,0.529,36,404,406.385,1.433,5,0.431,0.64,1.0,0.35692378863683094,0.5349530532520047,0.039365019532588585,0.059642930573641284,0.24772119799876635
EOS-2-42961,Cn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,WMLYLIPOQYDDPI-UHFFFAOYSA-N,2,1,0.549,36,404,406.385,1.433,5,0.431,0.74,1.0,0.5658967856898088,0.6493043657048866,0.04867726680830649,0.07518333219107669,0.3347654375985196
EOS-2-42962,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cnn(C)n5)n34)cc2F)n1,SOLPRYKZGVFUQW-UHFFFAOYSA-N,2,1,0.5,36,404,406.385,1.433,5,0.431,0.68,1.0,0.41078404495922144,0.5031354944829004,0.0929597011856624,0.07898704680967719,0.27146657185936535
EOS-2-42963,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5ncn(C)n5)c(F)c4)n23)n1,MNEHGZYNONLXNH-UHFFFAOYSA-N,2,1,0.482,36,610,406.385,1.433,5,0.431,0.66,1.0,0.49857789048043316,0.5302840792269207,0.07245048317455965,0.06268418888355835,0.2909991604413679
EOS-2-42964,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnn(C)n5)n34)nc2F)cn1,KQJMQFNGEVIROS-UHFFFAOYSA-N,2,1,0.372,92,105,406.385,1.433,5,0.403,0.66,0.99,0.27868206428620385,0.31276985813172503,0.11348605304639846,0.08570351586594475,0.19766037283256802
EOS-2-42965,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)cn1,OKLTUPMLHFUZHO-UHFFFAOYSA-N,2,1,0.565,36,6,406.385,1.465,5,0.449,0.71,1.0,0.6030429716948804,0.6162960043862655,0.18707593722157495,0.18135323144404084,0.39694203618669044
EOS-2-42966,Cn1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)n1,DCODKTHTDCZJGU-UHFFFAOYSA-N,2,1,0.536,20,353,406.381,2.335,5,0.423,0.75,1.0,0.6114556918648482,0.5773250633952437,0.21813103968199576,0.20360153519292715,0.4026283325337537
EOS-2-42967,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)n(C)n2)o1,XFXCWXBCGWXTDW-UHFFFAOYSA-N,2,1,0.562,36,226,406.381,2.601,5,0.438,0.73,1.0,0.6911966280583921,0.6932869577136591,0.1367366869988349,0.14406140771708587,0.416320420121993
EOS-2-42968,Cc1nn(C)cc1-c1nc(COc2cncc3nnc(-c4ccc(F)cc4)n23)no1,VGIBLPAUCYQYMW-UHFFFAOYSA-N,2,1,0.556,36,446,406.381,2.601,5,0.438,0.77,1.0,0.6114642587896648,0.5441110958810226,0.11349461997121513,0.12626790487286685,0.34883446987869227
EOS-2-42969,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cc(F)c(F)cc5F)n34)cc2)n[nH]1,VWVJVOHCQXXCRN-UHFFFAOYSA-N,2,1,0.333,45,558,406.371,4.574,5,0.446,0.73,1.0,0.41985641834007265,0.539459255705572,0.9535329997943938,0.9521023233500103,0.7162377492975122
EOS-2-42970,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cccc(F)c4F)n23)c(F)c1,DRURTOJHHLCIQM-UHFFFAOYSA-N,2,1,0.346,45,46,406.371,4.276,5,0.449,0.76,1.0,0.3259714892742101,0.4987235282023165,0.9304365704886574,0.9341117812350079,0.672310842300048
EOS-2-42971,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncnn5C)n34)cn2)o1,RDIQPUOLUHKMLC-UHFFFAOYSA-N,2,1,0.393,92,105,406.366,0.952,5,0.397,0.65,1.0,0.34074086765814543,0.1828610102117744,0.008258515523267769,0.00215029812898362,0.1335026728805428
EOS-2-42972,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nn4)n23)c(F)c1,QRTUYMCXNAQHAU-UHFFFAOYSA-N,2,1,0.529,34,10,406.356,2.624,5,0.443,0.67,1.0,0.4039733397299705,0.5165941333698856,0.4942001918991159,0.5264632307586868,0.4853077239394147
EOS-2-42973,Fc1ccc(F)c(-c2nnc3cncc(OCc4cn(-c5ccccn5)nn4)n23)c1,HFSMDAJNIOXACU-UHFFFAOYSA-N,2,1,0.535,34,10,406.356,2.624,5,0.443,0.69,1.0,0.21931327530669592,0.35664108011788087,0.4385237475155918,0.49988006305256666,0.3785895414981838
EOS-2-42974,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(F)cc4F)n23)nn1,AXKKFGBLMBNIDG-UHFFFAOYSA-N,2,1,0.46,13,706,406.356,3.052,5,0.453,0.75,1.0,0.5135186073607018,0.6163045713110822,0.47704920841614695,0.48742375436913166,0.5235740353642657
EOS-2-42975,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)c1,HBDDRNZBWIFNAU-UHFFFAOYSA-N,2,1,0.518,59,16,406.356,2.829,5,0.478,0.62,1.0,0.657494345829621,0.6297803440477007,0.6985213487766432,0.6996007813035433,0.671349204989377
EOS-2-42976,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cnc1F,DEEUDLRFXKILAK-UHFFFAOYSA-N,2,1,0.53,47,164,406.356,2.829,5,0.447,0.67,1.0,0.8846549242683847,0.6297889109725173,0.6931070522925091,0.6332842162977178,0.7102087759577822
EOS-2-42977,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)nn2)cc1,HLEIIKJFWRKQCZ-UHFFFAOYSA-N,2,1,0.533,46,128,406.356,2.624,5,0.443,0.68,1.0,0.1637996024946885,0.20537488862997738,0.47031560551024604,0.5401960112398053,0.3449215269686793
EOS-2-42978,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5cc(F)ccn5)[nH]n4)n23)c1,NPZLFNSXSBJHRU-UHFFFAOYSA-N,2,1,0.489,46,338,406.356,2.829,5,0.478,0.66,0.996,0.380105887190734,0.3227588924679597,0.5692978548420259,0.6032228771160304,0.46884637790418754
EOS-2-42979,Cn1nc(-c2cncnc2)cc1Oc1cncc2nnc(-c3ccc(F)c(F)c3)n12,WFUTYMYULPLYAK-UHFFFAOYSA-N,2,1,0.488,13,706,406.356,3.052,5,0.453,0.68,1.0,0.5714567198958262,0.6163131382358988,0.6632341854567885,0.6244602837365499,0.6188660818312659
EOS-2-42980,Fc1ccc(-c2nnc3cncc(OCc4nccc(-n5cccn5)n4)n23)c(F)c1,IZHKFUFDORWDSP-UHFFFAOYSA-N,2,1,0.523,73,446,406.356,2.624,5,0.443,0.7,1.0,0.40200294702213696,0.49388321568089916,0.4420704543896923,0.47247447056404634,0.45260777191419366
EOS-2-42981,Fc1cccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)nc4)n23)c1F,RKWLFXJKMRUVAJ-UHFFFAOYSA-N,2,1,0.518,16,772,406.356,2.624,5,0.443,0.75,1.0,0.32859296826811046,0.4089592899732712,0.6281012267836338,0.6157562881228155,0.4953524432869577
EOS-2-42982,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)cc1F,MKYNOMDWXPGRDF-UHFFFAOYSA-N,2,1,0.457,73,469,406.356,2.829,5,0.478,0.66,1.0,0.6337553971626345,0.6393924336920019,0.7010314577479269,0.6622232883284216,0.6591006442327463
EOS-2-42983,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)cc1F,CYZSKTGKRSGSJR-UHFFFAOYSA-N,2,1,0.506,4,22,406.356,2.829,5,0.478,0.66,1.0,0.622575560276883,0.5628555273798918,0.7190991021862793,0.6941436501953259,0.649668460009595
EOS-2-42984,Oc1cc(C(F)F)ccc1-c1nnc2cncc(-c3cn(-c4cccnc4)nn3)n12,PIGANVNXCRLRGO-UHFFFAOYSA-N,2,1,0.295,50,997,406.356,3.077,5,0.489,0.64,0.978,0.0472380234391063,0.1788431224727572,0.7293537111918306,0.69960934822836,0.4137610513330135
EOS-2-42985,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5cccc(F)c5F)n34)nn2)cn1,GNOPSSGDPQKUNH-UHFFFAOYSA-N,2,1,0.404,13,706,406.356,3.052,5,0.453,0.77,1.0,0.4886916592419985,0.5441196628058392,0.6339010348845179,0.5975001713384963,0.566053132067713
EOS-2-42986,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)cn1,ZTKGCFUZMDRGLV-UHFFFAOYSA-N,2,1,0.476,13,374,406.356,3.052,5,0.453,0.77,1.0,0.5344818723870879,0.5349616201768214,0.5085326571174011,0.5338393530258378,0.5279538756767871
EOS-2-42987,Cn1cc(-c2cnnc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cn1,WBUFWXVRPKDYJU-UHFFFAOYSA-N,2,1,0.42,13,251,406.356,3.052,5,0.453,0.68,1.0,0.3868651908710849,0.37583955863203344,0.6848228359947913,0.6708587485436228,0.5295965835103831
EOS-2-42988,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5cc(F)ccc5F)n34)cc2)n1,PCSYSDPWGLEESX-UHFFFAOYSA-N,2,1,0.577,13,941,406.356,3.052,5,0.453,0.8,1.0,0.4960335138098828,0.6251028030978,0.5693064217668425,0.5883335617846618,0.5696940751147967
EOS-2-42989,Fc1ccc(F)c(-c2nnc3cncc(OCc4cccc(-c5c[nH]nn5)n4)n23)c1,LIODQJQVFDKZGS-UHFFFAOYSA-N,2,1,0.5,34,10,406.356,2.829,5,0.478,0.63,0.983,0.529401685970804,0.5583578918511412,0.6014152559797136,0.6216246316222329,0.5776998663559729
EOS-2-42990,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1F,HSDXUDJNHQWMOZ-UHFFFAOYSA-N,2,1,0.757,43,499,406.356,2.829,5,0.478,0.81,1.0,0.9358165992735248,0.834898224933178,0.7659173463093688,0.7505482831882667,0.8217951134260846
EOS-2-42991,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cn4)n23)c(F)c1,QPQMFYWDNIWHHQ-UHFFFAOYSA-N,2,1,0.548,4,10,406.356,2.624,5,0.443,0.75,1.0,0.3454955109313961,0.46712014255362894,0.637122198615585,0.6301572887396341,0.519973785210061
EOS-2-42992,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)cn1,BRPNZIRRIQALTJ-UHFFFAOYSA-N,2,1,0.473,4,212,406.356,2.829,5,0.478,0.66,1.0,0.7249503118360633,0.6639452402165719,0.6371307655404016,0.6187033102597491,0.6611824069631964
EOS-2-42993,Fc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,FIJZKKLZPWQOAD-UHFFFAOYSA-N,2,1,0.564,43,499,406.356,2.829,5,0.478,0.66,1.0,0.9097560139812213,0.7581214447262011,0.7162034815982455,0.7239993831814132,0.7770200808717703
EOS-2-42994,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(F)c(F)c4)n23)nc1,LWJUSLYENLDZMB-UHFFFAOYSA-N,2,1,0.476,13,706,406.356,3.052,5,0.453,0.75,1.0,0.6640737440888219,0.6786118155027071,0.5916660955383456,0.5791926530052772,0.628386077033788
EOS-2-42995,Cn1nnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)cc1,IZQPVVVUEPFPAE-UHFFFAOYSA-N,2,1,0.743,61,941,406.356,3.052,5,0.453,0.75,1.0,0.6337639640874512,0.6394010006168186,0.5916746624631622,0.6301658556644507,0.6237513707079707
EOS-2-42996,Cn1nnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1,CDOYCIQEXVAPHY-UHFFFAOYSA-N,2,1,0.592,13,941,406.356,3.052,5,0.453,0.78,1.0,0.5186587622507025,0.6015608937015968,0.5659910218627922,0.6065725447193475,0.5731958056336097
EOS-2-42997,Cn1nnnc1-c1ccc(-c2nnc3cncc(Oc4cccc(F)c4F)n23)cc1,XEFBNRLXSFLCPC-UHFFFAOYSA-N,2,1,0.55,61,941,406.356,3.052,5,0.453,0.77,1.0,0.5135271742855184,0.6206994037420328,0.5760571585223768,0.603231444040847,0.5783787951476937
EOS-2-42998,Fc1ccc(-c2nnc3cncc(OCc4nnn(-c5ccccc5)n4)n23)cc1F,WTODNDBKSUWZGW-UHFFFAOYSA-N,2,1,0.554,34,612,406.356,2.624,5,0.443,0.65,1.0,0.5061339181687341,0.5674216983071757,0.3682406963196491,0.46622061544787885,0.4770042320608594
EOS-2-42999,Cn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ncn1,ATVVLHGVNXDUME-UHFFFAOYSA-N,2,1,0.391,44,971,406.356,3.052,5,0.453,0.72,0.999,0.5036666438215338,0.43656192173257485,0.6195086011925159,0.6032400109656638,0.5407442944280721
EOS-2-43000,Fc1ccc(COc2cncc3nnc(-c4cc(-c5c[nH]cn5)ncn4)n23)c(F)c1,ABQRSKBMDDZYDX-UHFFFAOYSA-N,2,1,0.419,44,488,406.356,2.829,5,0.478,0.62,0.586,0.6337725310122678,0.4987320951271332,0.6658213967514222,0.664921869645672,0.6158119731341238
EOS-2-43001,FC(F)Oc1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ccncc5)n4)n23)cc1,NPNDQLOZBCBJMS-UHFFFAOYSA-N,2,1,0.474,96,121,406.356,3.24,5,0.477,0.78,0.996,0.31610239188540884,0.47135220341306283,0.6902971009526421,0.6827582071139744,0.540127475841272
EOS-2-43002,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(Oc5ccncc5)n34)cn2)n1,KSGWKKNZBKPHND-UHFFFAOYSA-N,2,1,0.451,55,283,406.356,3.632,5,0.44,0.75,1.0,0.46861078747172913,0.5394678226303886,0.6684600095949558,0.5758429854019601,0.5630954012747584
EOS-2-43003,Cn1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1-c1cnccn1,MRMWODJNDBEJIW-UHFFFAOYSA-N,2,1,0.437,95,956,406.356,3.052,5,0.453,0.69,1.0,0.38462922349393464,0.3613014872181482,0.5157117401137687,0.540204578164622,0.4504617572476184
EOS-2-43004,Fc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(F)nc5)n4)n23)cc1,LFEWFFNQUBVUFO-UHFFFAOYSA-N,2,1,0.554,4,32,406.356,2.624,5,0.414,0.68,1.0,0.45922143787266123,0.5491484476732232,0.4736738400383798,0.5168511411143856,0.4997237166746624
EOS-2-43005,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1F,HVAZYTZQZCRTLX-UHFFFAOYSA-N,2,1,0.524,47,164,406.356,2.829,5,0.478,0.66,1.0,0.7459307107120828,0.6064183400726475,0.6713556301829895,0.6301744225892674,0.6634697758892468
EOS-2-43006,Fc1cc(F)cc(-c2nnc3cncc(OCc4noc(-c5ccccc5)n4)n23)c1,ZZZPIPQQBFYGTB-UHFFFAOYSA-N,2,1,0.59,34,210,406.352,3.699,5,0.439,0.8,1.0,0.5659053526146255,0.5583664587759578,0.5624700157631417,0.6244688506613666,0.5778026694537729
EOS-2-43007,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)cc1,KHMPBZXWIYCBHO-UHFFFAOYSA-N,2,1,0.649,43,909,406.352,3.699,5,0.439,0.78,1.0,0.9415478719758755,0.8610359125488315,0.8366972791446782,0.827984716606127,0.8668164450688781
EOS-2-43008,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)cnc1F,SVDUPWXEMRTSLU-UHFFFAOYSA-N,2,1,0.537,97,409,406.352,3.699,5,0.411,0.77,1.0,0.9142793502844219,0.6982986087314098,0.8092145843328079,0.740250839558632,0.7905108457268178
EOS-2-43009,Fc1cccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnco5)c4)n23)c1,DIEOAKXIMWIVER-UHFFFAOYSA-N,2,1,0.595,43,909,406.352,3.699,5,0.439,0.81,1.0,0.8243694743334933,0.7581300116510178,0.822467617024193,0.8180470838187924,0.8057535467068742
EOS-2-43010,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cn4)n23)cc1,WLPZEJRALDZJKA-UHFFFAOYSA-N,2,1,0.529,96,680,406.352,4.11,5,0.434,0.78,1.0,0.6485247755465698,0.6639538071413885,0.8914913302720855,0.8579775203892811,0.7654868583373312
EOS-2-43011,Fc1cccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cn4)n23)c1F,UEIOWGVXJKKWIA-UHFFFAOYSA-N,2,1,0.573,4,850,406.352,3.699,5,0.439,0.68,1.0,0.6426221643478857,0.6349204989377013,0.7944452059488726,0.7685473922280858,0.7101338153656364
EOS-2-43012,Fc1cccc(-c2nnc3cncc(OCc4ccc(-c5cnco5)nc4)n23)c1F,DYMKMEDUMRAPPL-UHFFFAOYSA-N,2,1,0.518,97,89,406.352,3.699,5,0.439,0.76,1.0,0.8769789596326503,0.740507847303132,0.8185696662326092,0.7806610239188541,0.8041793742718113
EOS-2-43013,Cc1ncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)o1,MMBHGVOIYPJTAT-UHFFFAOYSA-N,2,1,0.518,13,573,406.352,4.22,5,0.441,0.7,1.0,0.7519361250085669,0.534970187101638,0.7991227468987732,0.7531097937084504,0.7097847131793571
EOS-2-43014,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,PVOGBAPVKZIBLX-UHFFFAOYSA-N,2,1,0.582,43,178,406.352,3.699,5,0.439,0.74,1.0,0.9345572613254746,0.845135700089096,0.8461979987663628,0.8260400246727435,0.8629827462134192
EOS-2-43015,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2)o1,FVULSWMLULRBEX-UHFFFAOYSA-N,2,1,0.531,13,145,406.352,4.22,5,0.441,0.76,1.0,0.7310328284558975,0.766893975738469,0.74951168528545,0.7188249605921458,0.7415658625179906
EOS-2-43016,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4F)n23)cc1,KZIQDHMLUGLJAB-UHFFFAOYSA-N,2,1,0.653,43,909,406.352,3.699,5,0.439,0.75,1.0,0.9662548831471455,0.9097560139812213,0.8477229113837297,0.8381365225138784,0.8904675827564937
EOS-2-43017,FC(F)Oc1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)cc1,CZIKKHREOZKHRQ-UHFFFAOYSA-N,2,1,0.524,96,574,406.352,4.11,5,0.434,0.83,1.0,0.7155181276129121,0.6786203824275238,0.7563994928380509,0.7634243711877184,0.7284905935165513
EOS-2-43018,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnco5)c4)n23)cc1,YFEFJTGZHMYICR-UHFFFAOYSA-N,2,1,0.708,43,372,406.352,3.699,5,0.439,0.79,1.0,0.9662634500719621,0.9137482009457885,0.8367058460694949,0.8301178808854773,0.8867088444931807
EOS-2-43019,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cocn5)ccn4)n23)cc1F,NPRVJLVGTVOZLQ-UHFFFAOYSA-N,2,1,0.59,59,692,406.352,3.699,5,0.439,0.61,1.0,0.7187135905695292,0.49389178260571587,0.8333133438420944,0.8095486944006579,0.7138668528544994
EOS-2-43020,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cc4)n23)c(F)c1,RXHIWAPJMWSZDU-UHFFFAOYSA-N,2,1,0.622,43,293,406.352,3.699,5,0.439,0.79,1.0,0.8662874374614489,0.792372010143239,0.8185782331574258,0.8052223973682407,0.8206150195325886
EOS-2-43021,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)nc4)n23)cc1F,USFFQYCMPJCHQM-UHFFFAOYSA-N,2,1,0.618,24,805,406.352,3.699,5,0.439,0.75,1.0,0.8729782057432663,0.7451853882530327,0.8185868000822425,0.7920036323761223,0.8071885066136659
EOS-2-43022,FC(F)Oc1ccccc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3)n12,KDCHHWXXMIAIHB-UHFFFAOYSA-N,2,1,0.447,9,697,406.352,4.11,5,0.434,0.73,1.0,0.6763415804262902,0.5719793023096429,0.860324857789048,0.8320283051195942,0.7351685114111438
EOS-2-43023,Fc1cc(F)cc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nc4)n23)c1,VGCNAMHIKKTNGZ-UHFFFAOYSA-N,2,1,0.618,24,805,406.352,3.699,5,0.439,0.73,1.0,0.7310413953807141,0.634929065862518,0.7944537728736892,0.7685559591529024,0.732245048317456
EOS-2-43024,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cnoc5)c4)n23)cc1F,NYHFWDVYSPMTAS-UHFFFAOYSA-N,2,1,0.708,59,183,406.352,3.699,5,0.439,0.66,1.0,0.8413662531697622,0.6112243848947981,0.8744260160372832,0.8493420601740799,0.7940896785689808
EOS-2-43025,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cc1F,SONRWXWPBMUERT-UHFFFAOYSA-N,2,1,0.662,43,909,406.352,3.699,5,0.439,0.77,1.0,0.9581762730450277,0.9030481118497704,0.8586371736001644,0.8340500993763279,0.8884779144678226
EOS-2-43026,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnco5)nc4)n23)c(F)c1,BCHFXFORFROIAO-UHFFFAOYSA-N,2,1,0.554,97,109,406.352,3.699,5,0.439,0.78,1.0,0.8825988623123844,0.7880285792611884,0.8133438420944418,0.7850301555753547,0.8172503598108424
EOS-2-43027,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1F,VOAVHABNJBSCDS-UHFFFAOYSA-N,2,1,0.757,43,96,406.352,3.699,5,0.439,0.77,1.0,0.9656980330340621,0.9030566787745871,0.8618583373312316,0.8320368720444109,0.8906624802960729
EOS-2-43029,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)c4)n23)cc1F,YUEDVAYTPKJALI-UHFFFAOYSA-N,2,1,0.608,43,909,406.352,3.699,5,0.439,0.76,1.0,0.945428688917826,0.8859485299157015,0.8477314783085463,0.8260485915975602,0.8762893221849086
EOS-2-43030,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)no4)n23)cc1,SIJBDQJEUXYWFZ-UHFFFAOYSA-N,2,1,0.6,97,232,406.352,3.699,5,0.411,0.77,1.0,0.9302566650675074,0.8417260640120622,0.779787197587554,0.7732335001028031,0.8312508566924817
EOS-2-43031,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4cnc(F)nc4)nn3)n12,IROHWHXJSSXKOI-UHFFFAOYSA-N,2,1,0.359,53,105,406.345,0.28,5,0.371,0.7,0.997,0.3286015351929272,0.34188026865876225,0.01114556918648482,0.010982797614968131,0.17315254266328559
EOS-2-43032,N=c1ncc(-c2nnc3cncc(OCc4cc(-c5nnco5)c(F)cn4)n23)c[nH]1,DKBOUSQIRYYKEU-UHFFFAOYSA-N,2,1,0.442,92,875,406.341,1.157,5,0.437,0.65,0.984,0.4107926118840381,0.3127784250565417,0.17430265231992323,0.1327445000342677,0.2576545473236927
EOS-2-43033,Fc1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)nn5)cnc4F)n23)cc1,QFNKVYQJOJQAFM-UHFFFAOYSA-N,2,1,0.437,22,140,406.331,3.123,5,0.454,0.6,0.849,0.42446542389143993,0.6737458022068399,0.6075320402988144,0.7079535329997944,0.6034241998492221
EOS-2-43034,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1F,KXKYNIGCERJURO-UHFFFAOYSA-N,2,1,0.828,48,240,406.314,4.667,4,0.463,0.78,1.0,0.9986549928037831,0.9924268384620657,0.9993831814131999,0.9989634020971832,0.9973571036940581
EOS-2-43035,Fc1cccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1F,OFAQBWIWNPOWDI-UHFFFAOYSA-N,2,1,0.622,48,240,406.314,4.667,4,0.463,0.8,1.0,0.9961277499828661,0.9879120690836817,0.9992461106161332,0.9988006305256665,0.9955216400520869
EOS-2-43036,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cc5)n34)cc2)nn1,QXQDRRAIJKIKSA-UHFFFAOYSA-N,2,1,0.671,43,613,493.752,5.243,5,0.333,0.87,1.0,0.937821259680625,0.9404770063737921,0.8414176547186621,0.8579860873140978,0.8944255020217943
EOS-2-43037,Clc1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)c(-c2ccccc2)n1,IXOGYGSVQIHLAS-UHFFFAOYSA-N,2,1,0.529,1,700,493.752,5.243,5,0.311,0.71,1.0,0.712374066205195,0.8639143992872319,0.6769069974641903,0.7429408539510657,0.7490340792269207
EOS-2-43038,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccnc5Br)n34)c2)nc1,MWZZCMHFOPMGNX-UHFFFAOYSA-N,2,1,0.5,97,666,493.752,5.243,5,0.311,0.73,1.0,0.8270594887259269,0.8046655472551573,0.7924062778425056,0.8162994311561922,0.8101076862449454
EOS-2-43039,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Br)nc5)n34)c2)cc1,NFDZUBLPXJEJSU-UHFFFAOYSA-N,2,1,0.575,97,137,493.752,5.243,5,0.311,0.77,1.0,0.7429408539510657,0.820043177301076,0.8661760674388321,0.8822733191693509,0.8278583544650813
EOS-2-43040,Clc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)cc2)ccn1,PUVMUZTYUNEMPL-UHFFFAOYSA-N,2,1,0.588,1,744,493.752,5.243,5,0.311,0.81,1.0,0.7547546432732506,0.8639229662120486,0.838222191762045,0.8529573024467137,0.8274642759235145
EOS-2-43041,Fc1cc(-c2ccnn2C(F)F)cnc1Oc1cncc2nnc(-c3ccc(F)c(Cl)c3F)n12,JOVBQNSNXDKPRK-UHFFFAOYSA-N,2,1,0.385,13,607,493.783,5.308,5,0.244,0.6,1.0,0.582550887533411,0.7669025426632856,0.9747104379411966,0.9689191967651292,0.8232707662257556
EOS-2-43042,Cc1nnc(-c2cc(F)c(-c3nnc4cncc(Br)n34)c(F)c2)n1C,ZTLQTOCAFMZXQE-UHFFFAOYSA-N,2,1,0.569,68,861,406.194,2.936,4,0.512,0.75,1.0,0.21366767185251181,0.3566496470426975,0.3382821602357618,0.4409738880131588,0.3373933417860325
EOS-2-43043,Cn1nc(-c2cocn2)cc1COc1cncc2nnc(-c3cc(C(F)(F)F)c(Cl)cc3F)n12,UPXFJNLDNNZKMQ-UHFFFAOYSA-N,2,1,0.452,27,51,493.808,4.57,5,0.331,0.54,1.0,0.6225841272016996,0.7794359536700706,0.9648327736275787,0.930753546706874,0.8244016003015557
EOS-2-43044,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cc(F)n5)n34)nc2F)cnc1C#N,IJDLOXNFSOIHPV-UHFFFAOYSA-N,2,1,0.388,31,814,493.865,3.407,5,0.33,0.54,0.363,0.6912051949832089,0.6885151805907751,0.5460300870399561,0.5728531286409431,0.6246508978137209
EOS-2-43045,FC1(n2cc(-c3ccc(-c4nnc5cncc(OCCc6ccc(Cl)cn6)n45)nn3)cn2)COC1,AGVWGXVQUAJTCX-UHFFFAOYSA-N,2,1,0.444,53,44,493.89,2.767,6,0.337,0.42,0.329,0.4198649852648893,0.3318912343225276,0.2646922760605853,0.320017476526626,0.33411649304365704
EOS-2-43046,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ncc(F)c(OC)n1,IYAPIBCTFXGKFG-UHFFFAOYSA-N,2,1,0.343,7,94,493.89,3.376,5,0.333,0.63,0.974,0.6114728257144816,0.6015694606264136,0.11673291755191556,0.10144952367898019,0.35780618189294777
EOS-2-43047,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1ccccc1F,RYAQCIQROKVKGX-UHFFFAOYSA-N,2,1,0.5,88,732,493.901,5.415,5,0.301,0.83,0.999,0.9128229730655884,0.8666129806044822,0.8986618463436364,0.8973511068466863,0.8938622267150983
EOS-2-43048,CCOc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2F)cn1,VGVRLHNIPVFBBU-UHFFFAOYSA-N,2,1,0.675,57,13,493.901,5.763,5,0.287,0.76,1.0,0.967300047974779,0.967274347200329,0.9588873278048112,0.9417877458707422,0.9588123672126654
EOS-2-43049,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(CF)n4)n23)ccc1-c1ccc(Cl)cc1,QSFZQBKAQNWADT-UHFFFAOYSA-N,2,1,0.5,57,461,493.901,5.703,5,0.289,0.67,1.0,0.912831539990405,0.9268213282160236,0.905249811527654,0.8851175382084847,0.9075050544856418
EOS-2-43050,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)cc1,XXHCBPJGRTWICJ-UHFFFAOYSA-N,2,1,0.705,1,640,493.901,5.73,5,0.257,0.83,1.0,0.989839627167432,0.9891542731820986,0.9638732780481118,0.9566170927283942,0.9748710677815091
EOS-2-43051,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1-c1ccc(F)cn1,TWEZSTCFWNORDC-UHFFFAOYSA-N,2,1,0.528,88,313,493.901,5.415,5,0.301,0.65,1.0,0.9843225275854979,0.9665804262901789,0.9390634637790419,0.9234116921389898,0.9533445274484271
EOS-2-43052,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(Cl)cc5)nc4)n23)cc1,LSTWBQDJEKBVFA-UHFFFAOYSA-N,2,1,0.699,1,640,493.901,5.73,5,0.275,0.82,1.0,0.9908162565965322,0.9907819888972654,0.9572767459392776,0.9513912685902268,0.9725665650058255
EOS-2-43053,FC(F)Oc1cccc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,UKAZDBSLFGFRDN-UHFFFAOYSA-N,2,1,0.607,79,640,493.901,5.73,5,0.275,0.7,1.0,0.9846480707285313,0.990070934137482,0.9361335754917415,0.9350284421903914,0.9614702556370366
EOS-2-43054,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1ccc(F)cc1,VLSNTHADGMEMHB-UHFFFAOYSA-N,2,1,0.654,57,485,493.901,5.415,5,0.301,0.84,0.999,0.9650897813720787,0.9076828181755877,0.9150161058186553,0.9047443629634706,0.9231332670824481
EOS-2-43055,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1c(C)oc(=O)n1C,ZVCLDHVYSFLKBC-UHFFFAOYSA-N,2,1,0.45,15,458,493.911,3.132,5,0.336,0.59,1.0,0.48615584949626484,0.5077530669590844,0.1548814337605373,0.1242289767664999,0.3182548317455966
EOS-2-43056,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccnnc6)cn5)n34)cn2)cc1,KCJLGEXPXPPUOJ-UHFFFAOYSA-N,2,1,0.461,41,518,493.918,4.333,6,0.334,0.69,1.0,0.6058957576588307,0.762199300938935,0.5624785826879584,0.5916146939894456,0.6305470838187923
EOS-2-43057,Clc1nccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nc5)n34)cc2)n1,VOBGUCUSLDQCKM-UHFFFAOYSA-N,2,1,0.489,40,868,493.918,4.333,6,0.312,0.66,1.0,0.8270680556507436,0.6983071756562265,0.6133575491741484,0.559831402919608,0.6746410458501816
EOS-2-43058,Clc1cncc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)c1,FUXLJARZUHCIKY-UHFFFAOYSA-N,2,1,0.432,28,297,493.918,4.333,6,0.334,0.68,1.0,0.6763501473511069,0.7358902748269481,0.4018316085258036,0.43161880611335757,0.561422709204304
EOS-2-43059,Clc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nnc1-c1noc(C2CC2)n1,AGIVIIRYZATLPQ-UHFFFAOYSA-N,2,1,0.308,30,945,493.918,4.891,7,0.33,0.72,1.0,0.1583767390857378,0.32735076416969366,0.0454818038516894,0.2065399904050442,0.18443732437804128
EOS-2-43060,Clc1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnc6)n5)n34)nc2)c1,CKLSHJDIWXLZFM-UHFFFAOYSA-N,2,1,0.412,80,280,493.918,4.333,6,0.334,0.64,1.0,0.5010794325269001,0.5876739085737783,0.5085412240422178,0.5402131450894387,0.5343769275580837
EOS-2-43061,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)cc1-c1ccncc1,IJOFWQNJEJTBPN-UHFFFAOYSA-N,2,1,0.5,80,277,493.918,4.333,6,0.334,0.64,1.0,0.5914690562675622,0.8546963881844973,0.5789613460352272,0.597508738263313,0.6556588821876499
EOS-2-43062,Clc1cnc(-c2cncnc2)cc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,CFVVEQLQKBAIAC-UHFFFAOYSA-N,2,1,0.447,6,280,493.918,4.333,6,0.334,0.67,0.997,0.6941522171201425,0.6639623740662052,0.5693149886916592,0.5664793365773422,0.6234772291138373
EOS-2-43063,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)c2)cc1,NIIJKQBWJHEJAI-UHFFFAOYSA-N,2,1,0.433,81,218,493.918,4.333,6,0.334,0.62,0.31,0.41080117880885475,0.5674302652319924,0.4770577753409636,0.5438112535124392,0.49977511822356246
EOS-2-43064,Clc1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)ccn1,YCFMONYJZPDBJI-UHFFFAOYSA-N,2,1,0.438,40,120,493.918,4.333,6,0.312,0.59,1.0,0.6640823110136386,0.717351449523679,0.44560002741415944,0.4934463025152491,0.5801200226166815
EOS-2-43065,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cc2)nc1,UNMPVNICNHUGLM-UHFFFAOYSA-N,2,1,0.442,81,120,493.918,4.333,6,0.334,0.65,1.0,0.6883438420944418,0.6885237475155918,0.4842197244876979,0.5201237063943527,0.595302755123021
EOS-2-43066,Clc1cccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnccn6)n5)n34)cc2)n1,SYRXVVHBIFFYNX-UHFFFAOYSA-N,2,1,0.441,40,147,493.918,4.333,6,0.312,0.6,1.0,0.6545387567678707,0.6835035295730245,0.4807329860873141,0.4998886299773833,0.5796659756013982
EOS-2-43067,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)cn2)cn1,BOZLHFJEUDRTQV-UHFFFAOYSA-N,2,1,0.442,28,868,493.918,4.333,6,0.312,0.64,1.0,0.5548454526763074,0.7128281132204783,0.5592402851072579,0.5438198204372559,0.5926834178603249
EOS-2-43068,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5nccc(-c6cncnc6)n5)n4)n23)cc1,YKODSTCPXRWNHA-UHFFFAOYSA-N,2,1,0.495,28,414,493.918,4.333,6,0.334,0.72,0.99,0.6852768830100747,0.909764580906038,0.4632992940853951,0.4874323212939483,0.6364432698238641
EOS-2-43069,Clc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)ccc1-c1cncnc1,WHFFGCYABOXWKP-UHFFFAOYSA-N,2,1,0.523,94,868,493.918,4.333,6,0.334,0.67,1.0,0.6575029127544376,0.7581385785758344,0.6492186964567199,0.6420396134603523,0.676724950311836
EOS-2-43070,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6cnccn6)n5)n34)c2)cn1,GHMCZJGWLBZAFQ-UHFFFAOYSA-N,2,1,0.442,80,200,493.918,4.333,6,0.312,0.6,1.0,0.46398464807072853,0.6112329518196148,0.5493797546432733,0.5438283873620725,0.5421064354739222
EOS-2-43071,Clc1cnc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,LUBGGJFXICPESH-UHFFFAOYSA-N,2,1,0.467,80,355,493.918,4.333,6,0.334,0.75,1.0,0.6793400041121239,0.7405164142279488,0.3908916455349188,0.4251764786512234,0.5589811356315537
EOS-2-43072,COc1nc(-c2cnc(Cl)cn2)ncc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,QVUNJDBXLHULQY-UHFFFAOYSA-N,2,1,0.315,42,301,493.918,4.429,6,0.343,0.64,1.0,0.41987355218970596,0.4319786169556576,0.312589952710575,0.35832876430676447,0.38069272154067574
EOS-2-43073,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)c2)cc1,HTSVDBNILFWZCB-UHFFFAOYSA-N,2,1,0.429,28,414,493.918,4.333,6,0.334,0.68,0.983,0.4244739908162566,0.5719878692344595,0.4160441367966555,0.4783171132890138,0.47270577753409637
EOS-2-43074,Clc1nccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nn2)n1,QEINPRCXTGJYTR-UHFFFAOYSA-N,2,1,0.484,40,25,493.918,4.333,6,0.312,0.71,0.997,0.6141285724076485,0.6983157425810431,0.47368240696319647,0.4904992803783154,0.5691565005825509
EOS-2-43075,COc1cc(-c2nnc3cncc(OCCCc4ccc(Cl)c(F)c4)n23)ccc1-c1cnnn1C,KVOVYQNDHKUHJA-UHFFFAOYSA-N,2,1,0.562,91,781,493.93,4.4,5,0.296,0.67,1.0,0.7429494208758823,0.6786289493523405,0.6632427523816051,0.6244774175861832,0.6773246350490028
EOS-2-43076,CCOc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1-c1cnn(C)c1,IDHHTHUJPSTRFQ-UHFFFAOYSA-N,2,1,0.454,84,672,493.93,4.4,5,0.316,0.73,0.997,0.5268316085258036,0.48446816530738124,0.6165615790555822,0.5533205400589405,0.5452954732369268
EOS-2-43077,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1cnc(C)n1C,SVIMZGWYSFJMQH-UHFFFAOYSA-N,2,1,0.58,49,308,493.93,4.318,5,0.333,0.58,0.996,0.6454406826125694,0.5166027002947022,0.5425947501884724,0.4538071413885272,0.5396113186210678
EOS-2-43078,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cn(C)c1=O,TUYITBGEAMJYNL-UHFFFAOYSA-N,2,1,0.479,26,749,493.93,3.787,5,0.342,0.71,1.0,0.3360633267082448,0.24093619354396545,0.5357926118840382,0.5598399698444246,0.41815802549516823
EOS-2-43079,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(Cl)cn6)cc5)n34)cc2)cc1F,ZJOVPFICQIHKLG-UHFFFAOYSA-N,2,1,0.338,69,645,493.933,6.078,6,0.296,0.75,1.0,0.3615413611130149,0.49874066205194983,0.8938472345966691,0.8946439586046193,0.6621933040915633
EOS-2-43080,Cc1cc(F)cc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cnc2Cl)c1,INJNUUCLURSYLD-UHFFFAOYSA-N,2,1,0.318,69,479,493.933,6.078,6,0.296,0.72,1.0,0.3004077856212734,0.5349787540264547,0.8152628332533753,0.8510554451374135,0.6254262045096293
EOS-2-43081,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5ccc(F)cc5Cl)n34)cc2)nn1,YOTHLPWGCNENEU-UHFFFAOYSA-N,2,1,0.341,69,152,493.933,6.078,6,0.296,0.63,0.999,0.30311493386334043,0.5302926461517373,0.8496162017682133,0.8765848810910836,0.6399021657185936
EOS-2-43082,CN(C)c1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cn2)nn1C,XRLVMVKBEWKRDC-UHFFFAOYSA-N,2,1,0.655,84,360,493.934,3.462,5,0.34,0.68,1.0,0.4639932149955452,0.4891885408813652,0.1645963265026386,0.15961894318415462,0.31934925639092593
EOS-2-43083,Clc1ccc(-c2cc(-c3ccc(-c4nnc5cncc(OCCc6ccccc6)n45)cc3)no2)cc1,KHLAHEQYWXXGTP-UHFFFAOYSA-N,2,1,0.753,12,47,493.954,6.388,6,0.256,0.82,1.0,0.9551093139606607,0.9609005551367281,0.852820231649647,0.8644198478514152,0.9083124871496128
EOS-2-43084,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccc(Cl)cc4)n23)cc1,OVQDIJLJMQNQPF-UHFFFAOYSA-N,2,1,0.593,12,994,493.958,5.486,6,0.305,0.72,1.0,0.8662960043862655,0.7959615516414228,0.7659259132341855,0.7920121993009389,0.8050489171407031
EOS-2-43085,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6cccn6)cc5)n34)cc2)cn1,ROAMJHWGUVGOOO-UHFFFAOYSA-N,2,1,0.583,77,190,493.958,5.314,6,0.28,0.79,1.0,0.7637156466314852,0.6983243095058598,0.7967668425741896,0.7850387225001714,0.7609613803029265
EOS-2-43086,Cc1cc(-c2cn(C)nc2-c2cncc3nnc(-c4ccc(-c5ncccc5O)cc4)n23)ccc1Cl,IRLISTNBSNWWFQ-UHFFFAOYSA-N,2,1,0.297,3,787,493.958,5.588,6,0.344,0.68,1.0,0.17453395928997328,0.3708964430128161,0.7396168871221986,0.7402594064834487,0.5063266739771092
EOS-2-43087,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5ccc(Cl)cc5)n34)cc2)n1,NSTAZTGZCRLBCU-UHFFFAOYSA-N,2,1,0.565,77,427,493.958,5.486,6,0.305,0.66,1.0,0.7429579878006991,0.7451939551778494,0.7585155232677678,0.7505568501130834,0.7493060790898499
EOS-2-43088,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c1,XVDSANIZPSGKRZ-UHFFFAOYSA-N,2,1,0.62,12,492,493.958,5.486,6,0.305,0.73,1.0,0.8641542731820986,0.7880371461860051,0.7797957645123706,0.8030121307655405,0.8087498286615037
EOS-2-43089,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6ccnc6)cc5)n34)cc2)nc1,WCMMEKHMJICICE-UHFFFAOYSA-N,2,1,0.586,77,933,493.958,5.314,6,0.299,0.7,1.0,0.909764580906038,0.7405249811527654,0.8012559111781234,0.7873089575765883,0.8097136077033787
EOS-2-43090,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)c1,WLPFITRXBGTZSM-UHFFFAOYSA-N,2,1,0.578,12,994,493.958,5.486,6,0.305,0.72,1.0,0.6912137619080255,0.6835120964978412,0.7681618806113357,0.7966126379274896,0.7348750942361729
EOS-2-43091,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nc(C)nn6C)c(Cl)c5)n34)cc2)n1,KBEVPAJSPRDUMD-UHFFFAOYSA-N,2,1,0.302,38,532,493.962,4.981,6,0.341,0.7,1.0,0.18600507161949148,0.2611284353368515,0.2796672606401206,0.3262027962442602,0.26325089096018095
EOS-2-43092,COc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,HVAUKZSWKZNXOV-UHFFFAOYSA-N,2,1,0.542,91,777,493.976,5.207,5,0.293,0.75,1.0,0.7977177712288397,0.7581471455006511,0.6741998492221233,0.5303269138510041,0.6900979199506545
EOS-2-43093,COc1cc(-c2nnc3cncc(-c4ccsc4-c4nc5ccc(F)cc5s4)n23)ccc1Cl,QWQRTBYZZZXAPP-UHFFFAOYSA-N,2,1,0.333,96,46,493.976,6.598,6,0.277,0.7,1.0,0.45245356726749364,0.629797477897334,0.7842077307929546,0.830126447810294,0.6741463059420191
EOS-2-43094,CC(C)N=c1[nH]nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)s1,BBXPMKGMBCYJQT-UHFFFAOYSA-N,2,1,0.484,75,578,493.984,3.617,5,0.344,0.38,0.917,0.554854019601124,0.3709050099376328,0.16146083201973818,0.12423754369131657,0.3028643513124529
EOS-2-43095,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3cccc(-c4nncs4)n3)n12,TTXMAFAFDWHWHP-UHFFFAOYSA-N,2,1,0.342,76,140,405.874,4.334,5,0.444,0.71,0.999,0.18041943663902404,0.44061407717085876,0.37984887944623397,0.49989719690219997,0.3751948975395792
EOS-2-43096,Clc1cccc(Oc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1,ZAJQCNPLKODJHJ-UHFFFAOYSA-N,2,1,0.714,1,15,405.87,5.361,5,0.402,0.75,1.0,0.6640908779384552,0.8487338085120965,0.8185953670070591,0.8595966691796313,0.7977541806593105
EOS-2-43097,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3cc(-c4cnnn4C)nn3C)n12,MWNPYFKPTHBDHU-UHFFFAOYSA-N,2,1,0.342,50,844,405.853,2.949,5,0.458,0.64,1.0,0.13363546021520115,0.30249811527654036,0.20796209992461107,0.28325680213830445,0.23183811938866422
EOS-2-43098,O=C1CC(Oc2ccccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)CN1,SGSCDDJFDCRKRX-UHFFFAOYSA-N,2,1,0.384,61,999,405.845,3.379,5,0.563,0.64,1.0,0.5036752107463505,0.567438832156809,0.5012936056473168,0.6449438009732027,0.5543378623809196
EOS-2-43099,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4c(F)cccc4Cl)n23)nc1,UGDRNMNXNSEXOK-UHFFFAOYSA-N,2,1,0.356,22,575,405.824,4.046,5,0.453,0.73,1.0,0.28145774792680417,0.4138338701939552,0.6713641971078061,0.7505654170379,0.5293053080666164
EOS-2-43100,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,ZSEQELIFKFDZOO-UHFFFAOYSA-N,2,1,0.391,22,575,405.824,4.046,5,0.453,0.71,1.0,0.2814663148516209,0.507761633883901,0.7137019395517785,0.7782708518950038,0.5703001850455761
EOS-2-43101,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nc2)cn1,DYSIBMQSKUSERW-UHFFFAOYSA-N,2,1,0.384,45,844,405.824,4.046,5,0.453,0.77,1.0,0.22763175930368035,0.40896785689808784,0.847740045233363,0.8660732643410322,0.5876032314440408
EOS-2-43102,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccccc5Cl)n34)c(F)c2)n1,TZGCLQGPXWORPY-UHFFFAOYSA-N,2,1,0.456,45,46,405.824,4.046,5,0.453,0.76,1.0,0.27081762730450276,0.4273182098553903,0.7681704475361524,0.8401754506202453,0.5766204338290727
EOS-2-43103,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(Cl)c(F)c5)n34)cc2)nn1,YRMAZBSUEGDMAF-UHFFFAOYSA-N,2,1,0.366,61,558,405.824,4.046,5,0.453,0.82,1.0,0.2571790829963676,0.4406226440956754,0.8204715235419094,0.862826399835515,0.5952749126173669
EOS-2-43104,Cn1cc(-c2cncc(-c3cncc4nnc(-c5c(F)cccc5Cl)n34)c2)cn1,PXLMJIYAMGVVIO-UHFFFAOYSA-N,2,1,0.338,45,859,405.824,4.046,5,0.453,0.79,1.0,0.1502809951339867,0.28712905215543827,0.8279161812075937,0.8660818312658488,0.5328520149407169
EOS-2-43105,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(F)cc(Cl)c4)n23)cc1,IEILDIVUECHQSN-UHFFFAOYSA-N,2,1,0.418,61,642,405.824,4.046,5,0.453,0.78,1.0,0.2522102666027003,0.42286340895072305,0.7542063600849839,0.8260571585223768,0.5638342985401961
EOS-2-43106,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)n1,LEYAEIQSZPNNMJ-UHFFFAOYSA-N,2,1,0.395,61,558,405.824,4.046,5,0.453,0.73,1.0,0.2757093413748201,0.5394763895552053,0.7396254540470153,0.8052309642930574,0.5900105373175245
EOS-2-43107,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cn2)cn1,RWBORFXAPNETSX-UHFFFAOYSA-N,2,1,0.379,45,575,405.824,4.046,5,0.453,0.85,1.0,0.23031320677129738,0.41384243711877183,0.8462065656911795,0.8644284147762319,0.5886976560893701
EOS-2-43108,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5Cl)n34)cn2)cn1,OVPVHXZZZNQIPG-UHFFFAOYSA-N,2,1,0.391,45,575,405.824,4.046,5,0.453,0.86,1.0,0.15838530601055445,0.3996470426975533,0.8170361866904257,0.8510640120622301,0.5565331368651909
EOS-2-43109,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)cn1,ITWGZRKPNZHABI-UHFFFAOYSA-N,2,1,0.379,45,575,405.824,4.046,5,0.453,0.86,1.0,0.25221883352751695,0.48045027756836406,0.8462151326159961,0.8644369817010485,0.6108303063532314
EOS-2-43110,Cn1nc(-c2cccc(F)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,LRCNZFGEBHICKB-UHFFFAOYSA-N,2,1,0.457,22,316,405.824,4.046,5,0.453,0.85,1.0,0.1889520937564252,0.5303012130765541,0.5157203070385854,0.7109262559111781,0.48647496744568575
EOS-2-43111,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,FUXLRFNCQFZPAE-UHFFFAOYSA-N,2,1,0.435,45,46,405.824,4.046,5,0.453,0.81,1.0,0.2870433829072716,0.5349873209512713,0.8133524090192584,0.8752484408196833,0.6276578884243712
EOS-2-43112,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cn1,HCEAQEIUVBYPLV-UHFFFAOYSA-N,2,1,0.375,96,575,405.824,4.046,5,0.453,0.77,1.0,0.30041635254609006,0.43657048865739156,0.7495202522102666,0.7966212048523063,0.5707820745665136
EOS-2-43113,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1,ZOLSADDXKWSLPX-UHFFFAOYSA-N,2,1,0.398,61,558,405.824,4.046,5,0.453,0.86,1.0,0.3080751833321911,0.4365790555822082,0.7773456240148037,0.8320454389692276,0.5885113254746076
EOS-2-43114,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cc(F)cc(Cl)c5)n34)nc2)cn1,KRYAQIHTPUHVOG-UHFFFAOYSA-N,2,1,0.441,22,844,405.824,4.046,5,0.453,0.73,1.0,0.1364454115550682,0.3179442807209924,0.8186039339318758,0.8493506270988965,0.5305860633267082
EOS-2-43115,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,IOPNLOVCLAYUPO-UHFFFAOYSA-N,2,1,0.456,61,252,405.824,4.046,5,0.453,0.85,1.0,0.3335103831128778,0.6251113700226166,0.7633558357891851,0.8457439517510794,0.6419303851689397
EOS-2-43116,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,LXXVZSOEFJSKKB-UHFFFAOYSA-N,2,1,0.398,61,252,405.824,4.046,5,0.453,0.8,1.0,0.23032177369611403,0.5213659104927695,0.7321122609827976,0.8220564046329929,0.5764640874511685
EOS-2-43117,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1,AXCVGPXJZIQFFP-UHFFFAOYSA-N,2,1,0.391,61,316,405.824,4.046,5,0.453,0.77,1.0,0.3031235007881571,0.4406312110204921,0.7702864779658694,0.840184017545062,0.5885563018298952
EOS-2-43118,Cc1ccc(-c2nnc3cncc(-c4ccnn4-c4ccc(F)c(Cl)c4)n23)cn1,RBZYYPMFJUOAPE-UHFFFAOYSA-N,2,1,0.383,22,140,405.824,4.14,5,0.451,0.64,0.991,0.05888047426495785,0.2871376190802549,0.770295044890686,0.8180556507436091,0.483592197244877
EOS-2-43119,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)cn1,LBZWPCTZLNDPOD-UHFFFAOYSA-N,2,1,0.395,22,844,405.824,4.046,5,0.453,0.74,1.0,0.20841614693989446,0.47136077033787954,0.8204800904667261,0.8529658693715304,0.5883057192790077
EOS-2-43120,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4c(F)cccc4Cl)n23)nc1,IKLRGWNYIASEJJ-UHFFFAOYSA-N,2,1,0.356,22,140,405.824,4.046,5,0.453,0.77,1.0,0.20842471386471112,0.3946696593790693,0.739634020971832,0.7987972037557398,0.535381399492838
EOS-2-43121,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)nn1,JOCYWHKSDUUJJA-UHFFFAOYSA-N,2,1,0.402,45,46,405.824,4.046,5,0.453,0.76,1.0,0.17731820985539032,0.45394421218559383,0.772693783839353,0.8457525186758961,0.5624271811390583
EOS-2-43122,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)nn1,IOJHPNIFQZBVTO-UHFFFAOYSA-N,2,1,0.391,45,102,405.824,4.046,5,0.453,0.79,1.0,0.2628503872250017,0.4582705092180111,0.806995750805291,0.8612843533685148,0.5973502501542046
EOS-2-43123,Cn1ncc(-c2nnc3cncc(-c4ccnc(Cl)c4)n23)c1-c1ccc(F)cc1,BMYVEJIOTHALFC-UHFFFAOYSA-N,2,1,0.397,96,46,405.824,4.046,5,0.423,0.74,1.0,0.18327222260297443,0.2975721335069563,0.7268264683709136,0.8200774450003426,0.5069370673702968
EOS-2-43124,Fc1ccc2c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccnc2c1,HFHLZKFDBWBFKH-UHFFFAOYSA-N,2,1,0.615,34,798,405.82,4.711,5,0.433,0.86,1.0,0.9906963196490988,0.9886145569186485,0.9206188746487561,0.9457970666849428,0.9614317044753615
EOS-2-43125,Cc1nc(-c2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccccc4F)n23)o1,HLYJZKVOHRGXSS-UHFFFAOYSA-N,2,1,0.443,83,533,405.82,5.214,5,0.412,0.74,1.0,0.3383592625591118,0.6493129326297032,0.7881485162086218,0.8676324446576656,0.6608632890137757
EOS-2-43126,Clc1cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)ccn1,GDTCVPSADPNXMT-UHFFFAOYSA-N,2,1,0.531,36,499,405.809,2.599,5,0.443,0.79,1.0,0.7949420875882394,0.7218148173531629,0.43076211363169076,0.45044033993557675,0.5994898396271675
EOS-2-43127,Cn1nncc1-c1ccc(-c2nnc3cncc(Oc4cncc(Cl)c4)n23)cn1,AKGYFHHILBBIKK-UHFFFAOYSA-N,2,1,0.422,55,283,405.809,2.823,5,0.449,0.7,1.0,0.44052840792269204,0.5077702008087177,0.2761890891645535,0.3294667945994106,0.38848862312384347
EOS-2-43128,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)n1,IFMJLDZHJXTZLY-UHFFFAOYSA-N,2,1,0.53,4,499,405.809,2.599,5,0.443,0.73,1.0,0.6640994448632719,0.6394095675416352,0.33105167569049415,0.3714875608251662,0.5015120622301419
EOS-2-43129,Clc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1nn[nH]n1,NTOGBTDAPSXVIO-UHFFFAOYSA-N,2,1,0.688,4,6,405.809,2.599,5,0.473,0.72,1.0,0.5420207662257556,0.6983328764306764,0.32357275032554317,0.38731067096155164,0.4878092659858817
EOS-2-43130,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1,QTNCQLZOZWIBIH-UHFFFAOYSA-N,2,1,0.494,47,19,405.809,2.599,5,0.473,0.72,1.0,0.7279316016722637,0.6298060448221506,0.2360616133232815,0.26243917483380164,0.4640596086628743
EOS-2-43131,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cn1,DGHJRQHUKNQLRS-UHFFFAOYSA-N,2,1,0.562,16,499,405.809,2.599,5,0.443,0.8,1.0,0.8006733602905901,0.6689054896854225,0.4197022136933726,0.4377013227331917,0.5817455966006442
EOS-2-43132,Cn1nncc1-c1cncc(-c2nnc3cncc(Oc4ncccc4Cl)n23)c1,JYLALTXJCIAGCK-UHFFFAOYSA-N,2,1,0.37,2,36,405.809,2.823,5,0.449,0.59,1.0,0.3636916592419985,0.40897642382290456,0.2685045576040025,0.2981889520937564,0.33484039819066547
EOS-2-43133,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)n1,OINROZXRVKTLHY-UHFFFAOYSA-N,2,1,0.46,36,19,405.809,2.599,5,0.473,0.65,1.0,0.4861644164210815,0.5719964361592763,0.3348382564594613,0.37149612774998286,0.4411238091974505
EOS-2-43134,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1,IKICXDBVPMMEHS-UHFFFAOYSA-N,2,1,0.588,36,499,405.809,2.599,5,0.473,0.72,1.0,0.5999417449112466,0.6443098485367692,0.3682492632444658,0.4188283873620725,0.5078323110136386
EOS-2-43135,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,MOVXGTRZTSOKNI-UHFFFAOYSA-N,2,1,0.474,47,19,405.809,2.599,5,0.473,0.7,1.0,0.5742581043108765,0.6251199369474334,0.2835309437324378,0.3046055787814406,0.4468786409430471
EOS-2-43136,Cn1cc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)nn5)n34)c2)cn1,WVVUEAZXMWLQKA-UHFFFAOYSA-N,2,1,0.36,92,36,405.809,2.823,5,0.449,0.7,1.0,0.34550407785621273,0.36612466588993214,0.3572150640805976,0.3422914810499623,0.35278382221917615
EOS-2-43137,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)nc1,JIGFDIAEPYSUPX-UHFFFAOYSA-N,2,1,0.411,51,196,405.809,2.599,5,0.473,0.69,1.0,0.5769823864025769,0.6394181344664519,0.264700842985402,0.2950363237612227,0.4440344219039134
EOS-2-43138,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,KKFCZSGDSUAPQV-UHFFFAOYSA-N,2,1,0.467,55,283,405.809,2.599,5,0.443,0.66,1.0,0.6198341443355493,0.6349376327873346,0.3272051264478103,0.3391045850181619,0.480270372147214
EOS-2-43139,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1,PJWSNYFUZSPLMO-UHFFFAOYSA-N,2,1,0.519,36,941,405.809,2.823,5,0.42,0.72,1.0,0.43588513467205814,0.6064269069974642,0.22895106572544718,0.31088513467205814,0.39553706051675697
EOS-2-43140,Clc1cncc(COc2cncc3nnc(-c4cc(-c5ccncn5)[nH]n4)n23)c1,SEWZAVOTJXLENC-UHFFFAOYSA-N,2,1,0.4,46,62,405.809,2.599,5,0.473,0.62,0.975,0.5268401754506202,0.37091357686244947,0.35348845178534716,0.3908402439860188,0.4105206120211089
EOS-2-43141,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)c1,FIMDNVDLPWTICE-UHFFFAOYSA-N,2,1,0.472,55,283,405.809,2.599,5,0.473,0.59,1.0,0.6141371393324652,0.6207079706668495,0.3798574463710506,0.41883695428688916,0.5083848776643136
EOS-2-43142,Cn1nnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)cc1,QESUYXYIYZRBSE-UHFFFAOYSA-N,2,1,0.519,36,941,405.809,2.823,5,0.42,0.79,1.0,0.48870022616681513,0.587682475498595,0.25414639161126723,0.32002604345144264,0.41263878418203
EOS-2-43143,Clc1ccccc1-c1nnc2cncc(OCc3ncc(-c4cnoc4)cn3)n12,DZMPISLLTMEGOT-UHFFFAOYSA-N,2,1,0.558,51,969,405.805,3.469,5,0.437,0.75,1.0,0.5714652868206429,0.6545815913919539,0.45633438420944417,0.5136899458570352,0.549017802069769
EOS-2-43144,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5cccnc5)n4)n23)cc1,BREFYFHKMAZIPS-UHFFFAOYSA-N,2,1,0.57,97,335,405.805,3.469,5,0.437,0.8,1.0,0.6912223288328422,0.7751353574121034,0.3125985196353917,0.40931910081557127,0.5470688266739772
EOS-2-43145,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cnccn5)no4)n23)cc1,UHOQIVLTUKSHBH-UHFFFAOYSA-N,2,1,0.64,55,540,405.805,3.469,5,0.437,0.8,1.0,0.8190408470975259,0.8578061818929477,0.4528990473579604,0.5099204989377013,0.6599166438215338
EOS-2-43146,Clc1cccc(-c2nnc3cncc(OCc4noc(-c5cccnc5)n4)n23)c1,IAECXHINNMETIC-UHFFFAOYSA-N,2,1,0.529,97,335,405.805,3.469,5,0.437,0.78,1.0,0.48617298334589815,0.5674473990816257,0.2907271605784388,0.39084881091083545,0.4337990884791995
EOS-2-43147,Clc1ccccc1-c1nnc2cncc(OCc3cccc(-c4nnco4)n3)n12,HLYMAGHRLKZIJN-UHFFFAOYSA-N,2,1,0.518,4,268,405.805,3.469,5,0.437,0.74,1.0,0.5112483722842849,0.5970461243232129,0.3608817079021315,0.43488280446850797,0.4760147522445343
EOS-2-43148,Clc1cccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)c1,KLFHRWPOPGABNS-UHFFFAOYSA-N,2,1,0.578,4,268,405.805,3.469,5,0.437,0.71,1.0,0.43834384209444177,0.6015780275512302,0.3836525940648345,0.4504489068603934,0.468505842642725
EOS-2-43149,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1,DFOIEEQOVSJMJJ-UHFFFAOYSA-N,2,1,0.575,72,22,405.805,3.469,5,0.437,0.77,1.0,0.6730604482215065,0.6835206634226578,0.5120365293674183,0.5168597080392022,0.5963693372626963
EOS-2-43150,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cocn5)n4)n23)cc1,UOVWQRZSKAWWMI-UHFFFAOYSA-N,2,1,0.556,24,401,405.805,3.469,5,0.437,0.69,1.0,0.7032588582002605,0.8639315331368652,0.44207902131450894,0.4999057638270167,0.6272937941196628
EOS-2-43151,Clc1ncc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cc4)n23)cn1,MYLFIVHFKIAVNH-UHFFFAOYSA-N,2,1,0.525,97,91,405.805,3.469,5,0.409,0.76,1.0,0.7123826331300116,0.6443184154615859,0.542603317113289,0.5338479199506545,0.6082880714138853
EOS-2-43152,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(Cl)nc3)n12,AQRGZFGXYQSVOK-UHFFFAOYSA-N,2,1,0.357,96,697,405.805,3.565,5,0.418,0.72,0.984,0.5471523541909397,0.5491570145980399,0.5592488520320745,0.5264717976835035,0.5455075046261394
EOS-2-43153,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)cc1,OJINLGLXRMYKPX-UHFFFAOYSA-N,2,1,0.645,43,389,405.805,3.469,5,0.437,0.79,1.0,0.9036135288876704,0.8805085326571174,0.5013021725721335,0.5402217120142554,0.7064114865327942
EOS-2-43154,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cn1,WMBHJDRCRCRWQF-UHFFFAOYSA-N,2,1,0.562,72,992,405.805,3.469,5,0.409,0.76,1.0,0.8270766225755602,0.6737543691316565,0.569323555616476,0.5533291069837571,0.6558709135768624
EOS-2-43155,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cn4)n23)cc1,MJRYVVPDZSDSSJ-UHFFFAOYSA-N,2,1,0.618,4,539,405.805,3.469,5,0.437,0.8,1.0,0.7310499623055308,0.8349067918579947,0.47706634226578026,0.523284901651703,0.6415769995202522
EOS-2-43156,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5conn5)c4)n23)cc1,FUKPQPQZUZLCAZ-UHFFFAOYSA-N,2,1,0.636,43,389,405.805,3.469,5,0.437,0.78,1.0,0.794950654513056,0.8162908642313755,0.5561818929477075,0.6065811116441642,0.6935011308340757
EOS-2-43157,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,IUTAMIJXHCFFLZ-UHFFFAOYSA-N,2,1,0.55,72,22,405.805,3.469,5,0.437,0.75,1.0,0.8529658693715304,0.6885323144404085,0.5659995887876088,0.569657665684326,0.6692888595709683
EOS-2-43158,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5cnco5)c4)n23)nn1,MULCUVLTAAZNCN-UHFFFAOYSA-N,2,1,0.537,72,418,405.805,3.469,5,0.437,0.71,1.0,0.5344904393119047,0.5031440614077171,0.46330786101021176,0.48465663765334793,0.4963997498457953
EOS-2-43159,Clc1ccccc1-c1nnc2cncc(OCc3cncc(-c4nnco4)c3)n12,KRFAMMNDQBNTLM-UHFFFAOYSA-N,2,1,0.542,16,389,405.805,3.469,5,0.437,0.74,1.0,0.6030515386196971,0.6349461997121513,0.5120450962922349,0.5632153382221917,0.5783145432115687
EOS-2-43160,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)o1,QVEWCRMVJSOMEA-UHFFFAOYSA-N,2,1,0.494,55,540,405.805,3.469,5,0.437,0.78,1.0,0.6575114796792544,0.7405335480775821,0.49420875882393256,0.48744088821876497,0.5949236686998836
EOS-2-43161,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cnno5)cc4)n23)c1,NKRICXOFVHQXRQ-UHFFFAOYSA-N,2,1,0.579,16,256,405.805,3.469,5,0.437,0.75,1.0,0.6641080117880885,0.6163217051607155,0.6224042217805497,0.6364625454047015,0.6348241210335138
EOS-2-43162,Cc1ccc(Cl)c(Oc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)c1,ABDAFDVCXQAVKE-UHFFFAOYSA-N,2,1,0.396,13,995,405.805,3.99,5,0.442,0.73,1.0,0.5630782674251251,0.572005003084093,0.5760657254471935,0.5823281474881776,0.5733692858611472
EOS-2-43163,Clc1cccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)no4)n23)c1,DOEMCMSOXISYJD-UHFFFAOYSA-N,2,1,0.58,4,539,405.805,3.469,5,0.437,0.79,1.0,0.47630388595709683,0.6298146117469673,0.28353951065725447,0.3908573778356521,0.4451288465492427
EOS-2-43164,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4Cl)n23)c1,GTDBCXQEDYFJMW-UHFFFAOYSA-N,2,1,0.554,23,281,405.767,3.879,4,0.471,0.74,1.0,0.9313275306695908,0.9589644301281612,0.9418048797203755,0.9553063532314441,0.9468507984373928
EOS-2-43165,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1,SRMIEQSCLAPOKM-UHFFFAOYSA-N,2,1,0.63,48,51,405.767,4.438,4,0.47,0.85,1.0,0.9826862449455144,0.9432612569392091,0.9943715303954492,0.9892656432047152,0.9773961688712219
EOS-2-43166,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)nc1,WBLYBUSJVALJJA-UHFFFAOYSA-N,2,1,0.667,48,255,405.767,4.438,4,0.502,0.84,1.0,0.645449249537386,0.8885700089096018,0.9915615790555822,0.9857789048043314,0.8778399355767253
EOS-2-43167,Cc1c(Cl)cncc1COc1cncc2nnc(-c3c(F)ccc(F)c3F)n12,QZAJSENSYZBCRU-UHFFFAOYSA-N,2,1,0.526,90,255,405.767,4.144,4,0.477,0.64,1.0,0.8918682749640189,0.8963402097183195,0.960360838873278,0.9632564594613118,0.927956445754232
EOS-2-43168,Fc1ccc(F)c(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1F,ZSDGSJGNTDMUPP-UHFFFAOYSA-N,2,1,0.59,23,281,405.767,3.879,4,0.372,0.7,1.0,0.9454372558426427,0.9562401480364608,0.9450003426769926,0.9546209992461107,0.9503246864505517
EOS-2-43169,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(F)c1F,BSOBDFSMLLBECP-UHFFFAOYSA-N,2,1,0.542,23,281,405.767,3.879,4,0.372,0.75,1.0,0.9387721883352752,0.9687735590432458,0.9318843807826742,0.9442378863683092,0.9459170036323762
EOS-2-43170,Fc1cc(F)nc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,NTHNJHJPVINMBN-UHFFFAOYSA-N,2,1,0.658,23,370,405.767,3.879,4,0.471,0.75,1.0,0.970187101637996,0.9815982454937976,0.9216983071756563,0.9466280583921596,0.9550279281749023
EOS-2-43171,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c(F)c1F,MLXYNIPQCXQAKC-UHFFFAOYSA-N,2,1,0.628,23,281,405.767,3.879,4,0.372,0.76,1.0,0.9639418134466452,0.9801761359742307,0.9572853128640944,0.9608148858885615,0.9655545370433829
EOS-2-43172,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cncc(OCC(F)F)c3)n12,MVXXZCCCWZABQQ-UHFFFAOYSA-N,2,1,0.432,90,861,405.767,4.29,4,0.495,0.74,1.0,0.682227057775341,0.8938643684463026,0.976869302994997,0.9792937427181139,0.8830636179836886
EOS-2-43173,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,UTNPBXQRTXUTFU-UHFFFAOYSA-N,2,1,0.605,48,255,405.767,4.438,4,0.502,0.84,1.0,0.9367932287026249,0.9542783222534439,0.9927095469810157,0.9863186210677816,0.9675249297512165
EOS-2-43174,O=[N+]([O-])c1cc(F)c(F)c(-c2cncc3nnc(-c4c(F)cccc4Cl)n23)c1,CPZOJOWVNAZGLG-UHFFFAOYSA-N,2,1,0.392,23,627,405.723,4.437,4,0.371,0.73,0.999,0.38011445411555067,0.39467822630388594,0.9516397094099103,0.940194297854842,0.6666566719210473
EOS-2-43175,Fc1cc(-c2nc(Cl)c[nH]2)ncc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3Cl)n12,UDIYBQMFLINBFN-UHFFFAOYSA-N,2,1,0.295,45,693,494.277,4.739,6,0.373,0.52,0.669,0.28705194983208826,0.46288808169419504,0.7035844013432938,0.8030206976903571,0.5641362826399836
EOS-2-43176,Fc1cc(Cl)c(Cl)cc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)n1,HCXGGIIBXQSSDY-UHFFFAOYSA-N,2,1,0.298,3,158,494.277,4.535,6,0.329,0.73,0.996,0.20277911041052704,0.3273593310945103,0.5789699129600439,0.7293794119662805,0.4596219416078404
EOS-2-43177,O=[N+]([O-])c1ccncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1Cl,VCZBCAHKXXPJBG-UHFFFAOYSA-N,2,1,0.489,97,89,494.298,5.042,5,0.238,0.65,1.0,0.8341443355493112,0.5491655815228565,0.7519789596326503,0.682766774038791,0.7045139126859024
EOS-2-43178,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)c2)cc1F,KOBWNKPIYRGYMG-UHFFFAOYSA-N,2,1,0.62,57,80,494.299,5.473,5,0.324,0.76,1.0,0.757453224590501,0.8639401000616819,0.9491296004386266,0.9501147967925434,0.8801594304708382
EOS-2-43179,COc1nc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)ccc1-c1ncon1,KQYONGSXOFAQKJ-UHFFFAOYSA-N,2,1,0.605,49,896,494.309,3.629,5,0.335,0.64,1.0,0.7095298471660613,0.4628966486190117,0.2432920978685491,0.20048317455966005,0.4040504420533205
EOS-2-43180,COc1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)ccc1-c1nnnn1C,XLQVECJEADPZAX-UHFFFAOYSA-N,2,1,0.539,36,728,494.313,2.727,5,0.351,0.73,1.0,0.41743197861695563,0.4804588444931807,0.16767185251182234,0.1304057295593174,0.29899210129531906
EOS-2-43181,COc1nc(-c2nnc3cncc(OCCc4cncc(Br)c4)n23)ccc1-c1nc[nH]n1,HCXCZBGIDXDZPW-UHFFFAOYSA-N,2,1,0.41,49,551,494.313,2.759,5,0.363,0.54,0.797,0.5885134672058118,0.4713693372626962,0.122472757179083,0.0914690562675622,0.3184561544787883
EOS-2-43182,Clc1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4Cl)n23)cc1,YNFOGAGJNWZBFR-UHFFFAOYSA-N,2,1,0.742,23,17,405.672,5.331,4,0.46,0.87,1.0,0.9883404153245151,0.9915958467548489,0.9761239805359468,0.9926324446576656,0.9871731718182442
EOS-2-43183,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Br)cn5)n34)cc2F)n1,KPMBLIZFEAKIOW-UHFFFAOYSA-N,2,1,0.545,37,563,494.328,4.11,5,0.354,0.68,1.0,0.7429665547255158,0.7622078678637516,0.6104704955109314,0.5758515523267768,0.6728741176067439
EOS-2-43184,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccc(Br)cc1,IEVZOFCQEZTGPW-UHFFFAOYSA-N,2,1,0.473,95,266,494.328,4.11,5,0.354,0.72,0.998,0.4935148379137825,0.48447673223219795,0.5120536632170516,0.5533376739085738,0.5108457268179014
EOS-2-43185,COc1ccc(Cl)cc1-c1nnc2cncc(-c3ccc(Cl)c(Cl)c3)n12,DYOPGSRIMOEXCO-UHFFFAOYSA-N,2,1,0.438,23,102,405.672,5.427,4,0.456,0.86,1.0,0.4835772051264478,0.5533719416078404,0.9743163593996299,0.9876036597902816,0.7497172914810499
EOS-2-43186,Clc1ccc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)n23)cc1,ZIQHCOHSIJPKTF-UHFFFAOYSA-N,2,1,0.738,23,17,405.672,5.331,4,0.46,0.84,1.0,0.987415187444315,0.9919556575971489,0.9714978411349462,0.9910561304913988,0.9854812041669522
EOS-2-43187,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4Br)n23)cc1,HBOHUUSKJIZNCO-UHFFFAOYSA-N,2,1,0.561,43,520,494.328,4.55,5,0.345,0.68,1.0,0.8218250976629429,0.7405421150023987,0.6339096018093345,0.6273302035501337,0.7059017545062025
EOS-2-43188,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Br)n34)cn2)c1,OBQJLEVDINGPOM-UHFFFAOYSA-N,2,1,0.538,84,672,494.328,4.11,5,0.354,0.69,1.0,0.7977263381536563,0.8239753957919266,0.652105750119937,0.6216331985470496,0.7238601706531423
EOS-2-43189,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1Br,GXXLEXORGMGOKE-UHFFFAOYSA-N,2,1,0.552,26,619,494.328,4.11,5,0.354,0.65,1.0,0.8641628401069152,0.7358988417517648,0.7010400246727435,0.6649304365704887,0.7415080357754781
EOS-2-43190,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Br)c(F)c4)n23)cn1,RPNWNPANUDGQFZ-UHFFFAOYSA-N,2,1,0.707,84,360,494.328,4.11,5,0.354,0.74,1.0,0.882607429237201,0.745202522102666,0.7035929682681105,0.6507179082996367,0.7455302069769035
EOS-2-43191,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4Cl)n23)cc1,CRSVODNHJUMFOQ-UHFFFAOYSA-N,2,1,0.742,23,17,405.672,5.331,4,0.46,0.86,1.0,0.9868669042560483,0.9924354053868824,0.9761325474607635,0.992495373860599,0.9869825577410734
EOS-2-43192,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccc(Cl)cn1,IPICZHQODKXLLL-UHFFFAOYSA-N,2,1,0.462,49,501,494.342,4.58,5,0.324,0.63,0.996,0.7032674251250771,0.6545901583167706,0.49099616201768215,0.5136985127818519,0.5906380645603455
EOS-2-43193,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cn2)ccc1=O,LVZDZGKJJHFEBY-UHFFFAOYSA-N,2,1,0.663,84,360,494.342,3.875,5,0.353,0.75,0.989,0.7155266945377288,0.6443269823864026,0.5852494688506613,0.642048180385169,0.6467878315399904
EOS-2-43194,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccc(Cl)cn1,LTMXZLPUPLMFIS-UHFFFAOYSA-N,2,1,0.469,49,501,494.342,4.58,5,0.303,0.63,1.0,0.8087862380919745,0.6932955246384758,0.5493883215680899,0.5533462408333905,0.6512040812829827
EOS-2-43195,COCCOc1cnc(Cl)c(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)cn2)c1,JVUHADOSXCUYBB-UHFFFAOYSA-N,2,1,0.304,82,478,494.342,4.642,5,0.238,0.68,1.0,0.46861935439654584,0.5491741484476732,0.7218062504283462,0.7240079501062299,0.6159019258446988
EOS-2-43196,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cn2)cn1,GBCTYUMFAQOWAQ-UHFFFAOYSA-N,2,1,0.535,84,749,494.342,4.58,5,0.324,0.7,1.0,0.7781509149475704,0.8046741141799739,0.6339181687341512,0.630182989514084,0.7117315468439449
EOS-2-43197,COc1nc(Cl)cc(-c2cc(COc3cncc4nnc(-c5ccc(C)cc5)n34)cnc2Cl)n1,GMJGZMSEPQNXJX-UHFFFAOYSA-N,2,1,0.511,97,91,494.342,4.846,5,0.244,0.69,1.0,0.8663045713110822,0.6786375162771572,0.6281097937084504,0.5792012199300939,0.688063275306696
EOS-2-43198,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cccc(Cl)n1,BADXJGJLSRHIIH-UHFFFAOYSA-N,2,1,0.433,49,769,494.342,4.58,5,0.303,0.53,1.0,0.6763587142759235,0.62512850387225,0.43853231444040847,0.4662291823726955,0.5515621787403194
EOS-2-43199,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)cn2)cc1=O,USNAQYIMNKWUFO-UHFFFAOYSA-N,2,1,0.522,84,73,494.342,3.875,5,0.353,0.75,1.0,0.5420293331505722,0.5773336303200604,0.6371393324652183,0.6941522171201425,0.6126636282639983
EOS-2-43200,COc1cc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)ccc1-c1cnncn1,BTXXASFQXICMJZ-UHFFFAOYSA-N,2,1,0.533,91,313,494.342,4.58,5,0.324,0.59,1.0,0.9018915769995203,0.854704955109314,0.7773541909396203,0.7732420670276198,0.8267981975190186
EOS-2-43201,COc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)cn2)n1,KGIXPRSSNOUNPY-UHFFFAOYSA-N,2,1,0.707,84,360,494.342,4.58,5,0.324,0.64,1.0,0.8936501953258859,0.8639486669864985,0.6903056678774587,0.6736944006579398,0.7803997327119457
EOS-2-43202,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)ccc1-c1ccncn1,SUYWDFFSDSDDSZ-UHFFFAOYSA-N,2,1,0.54,35,729,494.342,4.58,5,0.303,0.64,1.0,0.92508224247824,0.77514392433692,0.7293622781166472,0.6827753409636077,0.7780909464738537
EOS-2-43203,CCOc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cnc(Cl)nc1,ODCRMKYBBWTNMM-UHFFFAOYSA-N,2,1,0.457,16,83,494.342,4.928,5,0.232,0.65,1.0,0.8459152902474127,0.8382650263861284,0.7842162977177712,0.7267322321979303,0.7987822116373107
EOS-2-43204,Cc1nc(C)c(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nn2)c(C)n1,AXESVEZTRVECSQ-UHFFFAOYSA-N,2,1,0.523,36,29,494.346,4.244,5,0.354,0.59,1.0,0.5471609211157563,0.8239839627167432,0.1520629154958536,0.24160441367966554,0.44120305325200465
EOS-2-43205,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)nn5cccc45)n23)c(Cl)c1,SRBSAZYTYVIONL-UHFFFAOYSA-N,2,1,0.489,34,146,494.367,5.448,6,0.317,0.62,1.0,0.6059043245836474,0.8003820848468234,0.7060859433897608,0.8117675279281749,0.7310349701871015
EOS-2-43206,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5Br)n34)ccn2)s1,YLNORLDSNJXTKD-UHFFFAOYSA-N,2,1,0.472,75,606,494.378,4.663,5,0.351,0.65,1.0,0.5061424850935509,0.5441282297306559,0.3310602426153108,0.2592608457268179,0.4101479507915839
EOS-2-43207,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(F)c(F)c5)cc4)n23)ccc1OC(F)(F)F,NINKWSDNFJXSBW-UHFFFAOYSA-N,2,1,0.386,96,558,494.383,5.569,5,0.24,0.79,1.0,0.7574617915153177,0.8938729353711192,0.9975241587279831,0.9968216708930162,0.911420139126859
EOS-2-43208,FC(F)(F)Oc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)cc1,OQPZIWBJCSUXFV-UHFFFAOYSA-N,2,1,0.609,1,881,494.433,4.894,5,0.301,0.85,1.0,0.8619697073538483,0.8963487766431362,0.9343088205057912,0.8474916044136797,0.8850297272291139
EOS-2-43209,Fc1ccc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1cnc(COC(F)F)nc1,YUOYILLBKVEMDV-UHFFFAOYSA-N,2,1,0.511,65,494,494.437,3.538,5,0.304,0.65,0.978,0.9378298266054417,0.9489325611678432,0.7863922966212048,0.7240165170310465,0.8492928003563841
EOS-2-43210,Cc1nc(-c2ccc(F)cc2OC(F)F)cc(-c2nnc3cncc(OCCc4ncccn4)n23)n1,JBPCFEOJLCHSNJ-UHFFFAOYSA-N,2,1,0.406,18,531,494.437,3.709,5,0.319,0.63,1.0,0.7339113151942979,0.8122644095675416,0.5660081557124255,0.5137070797066685,0.6564727400452334
EOS-2-43211,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(C(F)(F)F)cn5)nc4)n23)c1,NFTBRYAKFIULGX-UHFFFAOYSA-N,2,1,0.527,65,981,494.437,3.687,5,0.334,0.61,1.0,0.855116167500514,0.8639572339113152,0.8349153587828113,0.6157648550476321,0.7924384038105682
EOS-2-43212,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc([N+](=O)[O-])n5C(C)C)n34)cc2F)o1,ZDXUCHZPYRIQKF-UHFFFAOYSA-N,2,1,0.421,16,946,494.443,3.859,5,0.23,0.58,1.0,0.5010879994517168,0.33680008224247826,0.15207148242067028,0.034010691522171205,0.2559925639092591
EOS-2-43213,Cn1nc(-c2nnc(F)s2)cc1COc1cncc2nnc(-c3ccc(-c4nnco4)c(F)c3)n12,XOLRNPQDHZGZAV-UHFFFAOYSA-N,2,1,0.442,71,226,494.447,2.951,6,0.34,0.56,1.0,0.5368720444109383,0.5970546912480296,0.14891028716331986,0.16486190117195532,0.3619247309985607
EOS-2-43214,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(OC(F)F)cc5)c4)n23)cc1F,LRRVOURJUPSVIR-UHFFFAOYSA-N,2,1,0.831,79,485,494.448,5.959,5,0.249,0.78,1.0,0.9909704612432322,0.9942258926735659,0.9898224933177986,0.9879720375573984,0.9907477211979987
EOS-2-43215,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(OC(F)(F)F)c5)n34)c2)cc1,FXPJHLSFZRWQQR-UHFFFAOYSA-N,2,1,0.667,79,650,494.448,6.118,5,0.255,0.82,1.0,0.9834487012541978,0.9897967925433486,0.9933949009663491,0.9892742101295319,0.9889786512233568
EOS-2-43216,COc1ccc(-c2cccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)c2)c(C)c1,CAPWKSQTCNXMDK-UHFFFAOYSA-N,2,1,0.567,79,528,494.448,6.726,5,0.254,0.76,1.0,0.9888715646631485,0.9792166403947639,0.9966331985470496,0.9885460215201152,0.9883168562812692
EOS-2-43217,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccc(F)c(F)c5)cc4)n23)cc1F,NUCYZNPFNVDSDZ-UHFFFAOYSA-N,2,1,0.811,57,485,494.448,5.548,5,0.265,0.73,1.0,0.9907048865739154,0.9931807278459325,0.9882633130011651,0.9839455828935645,0.9890236275786443
EOS-2-43218,COc1cc(F)ccc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,XAJHASSEDBHMDM-UHFFFAOYSA-N,2,1,0.61,79,138,494.448,6.204,5,0.263,0.76,1.0,0.9923583030635323,0.9854619285861147,0.9968902062915496,0.9917586183263656,0.9916172640668905
EOS-2-43219,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3cccc(OC(F)(F)F)c3)n12,QOFQTNBJBCTHSI-UHFFFAOYSA-N,2,1,0.684,79,650,494.448,6.118,5,0.255,0.79,1.0,0.9778716331985471,0.992289767664999,0.9920413268453157,0.9863271879925982,0.9871324789253649
EOS-2-43220,Fc1cc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)ccc1Oc1ccccc1,XJXIDSABBNFVSS-UHFFFAOYSA-N,2,1,0.65,79,590,494.448,6.363,5,0.246,0.8,1.0,0.9839969844424645,0.9909618943184154,0.9943800973202659,0.9876122267150983,0.9892378006990611
EOS-2-43221,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ccc2OC(F)F)cc1F,LVSOKJQDNXMLAA-UHFFFAOYSA-N,2,1,0.716,79,485,494.448,5.959,5,0.249,0.8,1.0,0.9947227743129327,0.9944571996436159,0.9878178329106984,0.9839541498183811,0.9902379891714069
EOS-2-43222,Cn1c(-c2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)cc2nn(Cc3ncccc3F)nc21,MFPGMKBITKSRMB-UHFFFAOYSA-N,2,1,0.27,70,813,494.454,2.569,7,0.35,0.57,0.414,0.15565245699403743,0.2818518264683709,0.04868583373312316,0.08230244671372763,0.1421231409773148
EOS-2-43223,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)c(F)cc1-c1c(C)oc(=O)n1C,BYDYTRSBRLRGHH-UHFFFAOYSA-N,2,1,0.465,37,458,494.458,3.362,5,0.339,0.5,1.0,0.5213916112672196,0.4138510040435885,0.41605270372147213,0.32947536152422724,0.4201926701391268
EOS-2-43224,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)o2)nc1C(F)(F)F,PXMLIXCCDLYRGH-UHFFFAOYSA-N,2,1,0.304,38,193,494.462,4.989,6,0.34,0.63,1.0,0.17168974025083955,0.3418888355835789,0.6045935850866972,0.4874494551435817,0.40140540401617436
EOS-2-43225,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cc5)n34)c2)nc1,NFWVVHBNKXOQDW-UHFFFAOYSA-N,2,1,0.478,41,78,494.465,4.563,6,0.332,0.65,1.0,0.9325269001439244,0.7622164347885683,0.7519875265574669,0.7293879788910973,0.7940297100952642
EOS-2-43226,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cccnc6)cn5)n34)cc2)nc1F,GMEUAAJIDJACFH-UHFFFAOYSA-N,2,1,0.484,40,25,494.465,4.563,6,0.311,0.73,1.0,0.8033462408333905,0.7837879514769378,0.7519960934822836,0.7135734356795285,0.763175930368035
EOS-2-43227,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncc(F)cn6)n5)n34)cn2)cc1,QDGHKIMTXAFUTI-UHFFFAOYSA-N,2,1,0.478,28,414,494.465,4.563,6,0.332,0.77,1.0,0.6608782811322048,0.7539407854156672,0.6403861969707354,0.6478137207867863,0.6757547460763486
EOS-2-43228,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cn1,LJKWFRAEAVGXIY-UHFFFAOYSA-N,2,1,0.453,28,868,494.465,4.563,6,0.332,0.67,1.0,0.7032759920498938,0.7264837913782468,0.7495288191350833,0.7429494208758823,0.7305595058597766
EOS-2-43229,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)cn5)n34)cn2)cc1F,JYGGWBFWPNOUBS-UHFFFAOYSA-N,2,1,0.511,28,355,494.465,4.563,6,0.332,0.68,1.0,0.7637242135563018,0.7710318004249195,0.8133609759440751,0.7806695908436707,0.7821966451922417
EOS-2-43230,Cc1nc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)nc2)ncc1F,QMBHHIKLJTTYMU-UHFFFAOYSA-N,2,1,0.398,41,318,494.465,5.084,6,0.327,0.78,1.0,0.8059677198272908,0.7751524912617367,0.684831402919608,0.6332927832225345,0.7248110993077924
EOS-2-43231,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)n5)n34)c2)cc1F,XDBQSTLUOOJVNY-UHFFFAOYSA-N,2,1,0.438,28,414,494.465,4.563,6,0.332,0.64,0.998,0.5825594544582277,0.5876910424234117,0.6931156192173258,0.6827839078884244,0.6365375059968474
EOS-2-43232,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5cnccn5)ncc4F)n23)cc1-c1ccccc1,JTFWFWYDUWIRHC-UHFFFAOYSA-N,2,1,0.457,28,177,494.465,4.563,6,0.332,0.63,1.0,0.8190494140223425,0.8200517442258927,0.6308683434994174,0.6679031594818724,0.7344681653073812
EOS-2-43233,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6cccnn6)c5)n34)nn2)cc1,PPLCEBQCIQPKTL-UHFFFAOYSA-N,2,1,0.512,77,691,494.465,4.563,6,0.332,0.76,1.0,0.8163336988554588,0.7359074086765814,0.7819460626413542,0.7988057706805565,0.7832482352134877
EOS-2-43234,Fc1ccccc1-c1nnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1F,POQSUSIAKCLEBI-UHFFFAOYSA-N,2,1,0.489,77,177,494.465,4.563,6,0.332,0.62,1.0,0.8087948050167911,0.7452110890274827,0.7111318621067781,0.7215235419093962,0.746665324515112
EOS-2-43235,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cc2)c(F)c1F,XELVUPQNJRCMQX-UHFFFAOYSA-N,2,1,0.348,9,38,494.465,4.659,6,0.341,0.65,1.0,0.4569083681721609,0.5166112672195189,0.8661846343636488,0.8200860119251594,0.664947570420122
EOS-2-43236,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnc6)n5)n34)cn2)cc1F,VDQLPQMLVYIENQ-UHFFFAOYSA-N,2,1,0.453,28,355,494.465,4.563,6,0.332,0.72,1.0,0.7429751216503324,0.7622250017133849,0.77480981426907,0.7608714275923515,0.7602203413062847
EOS-2-43237,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cccc(F)n6)n5)n34)c2)nn1,IWMMNPBBZIOYEV-UHFFFAOYSA-N,2,1,0.473,81,808,494.465,4.563,6,0.311,0.63,0.999,0.5630868343499418,0.5876996093482284,0.6684685765197724,0.6449523678980194,0.6160518470289905
EOS-2-43238,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6F)nn5)n34)cc2)nn1,IWRMDMDOQKEDRR-UHFFFAOYSA-N,2,1,0.489,77,897,494.465,4.563,6,0.332,0.71,1.0,0.8459238571722295,0.8200603111507093,0.7162120485230622,0.7240250839558632,0.7765553252004661
EOS-2-43239,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(-c6ccccc6)n5)n34)cc2)nc1,RBMHCOJOORKWQU-UHFFFAOYSA-N,2,1,0.488,41,857,494.465,4.563,6,0.332,0.68,1.0,0.9128401069152217,0.8239925296415599,0.5561904598725241,0.5664879035021588,0.7148777499828661
EOS-2-43240,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cn2)nc1,MTIAGWORFZDADT-UHFFFAOYSA-N,2,1,0.549,28,120,494.465,4.563,6,0.332,0.71,1.0,0.9558546364197108,0.80039065177164,0.7191076691110959,0.6796655472551573,0.788754626139401
EOS-2-43241,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nn6)cc5)n34)nn2)c1,BGCFZDQEQRGWFP-UHFFFAOYSA-N,2,1,0.523,77,897,494.465,4.563,6,0.332,0.68,1.0,0.7808152285655541,0.8162994311561922,0.7218148173531629,0.7267407991227469,0.761417569049414
EOS-2-43242,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(-c6ccccc6)nn5)n34)cc2)nn1,MGZHGNFPKHWBKR-UHFFFAOYSA-N,2,1,0.489,12,897,494.465,4.563,6,0.332,0.65,1.0,0.8112706462888082,0.8083664587759578,0.654735796038654,0.667911726406689,0.7355711568775273
EOS-2-43243,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(C(F)F)nn6)cn5)n34)cc2)n1,HVBLFGOIZZOHOO-UHFFFAOYSA-N,2,1,0.323,38,193,494.469,4.408,6,0.343,0.67,1.0,0.2571876499211843,0.3127869919813584,0.5358011788088548,0.460001028030978,0.3914442121855939
EOS-2-43244,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)ccc1-c1nc(C)no1,CPLWCMHSAPPUSD-UHFFFAOYSA-N,2,1,0.413,6,350,494.475,2.984,6,0.321,0.61,1.0,0.32340997875402644,0.1747652662600233,0.12770714824206703,0.0731872387087931,0.17476740799122747
EOS-2-43245,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6noc(C)n6)n5)n34)cn2)cn1,PPNWBUSLLOXVOB-UHFFFAOYSA-N,2,1,0.412,80,903,494.475,2.984,6,0.321,0.63,1.0,0.35012165033239667,0.2510365979028168,0.07670824480844356,0.035132958673154684,0.17824986292920292
EOS-2-43246,COc1nc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)ccc1-c1nc(C)co1,PAPYVUWNXGVLAT-UHFFFAOYSA-N,2,1,0.35,80,350,494.475,2.984,6,0.321,0.53,0.944,0.260057569734768,0.102511822356247,0.09789424988006305,0.047315125762456306,0.1269446919333836
EOS-2-43247,COc1nc(-c2nnc3cncc(OCc4cnc(-c5noc(C)n5)nc4)n23)ccc1-c1ccccn1,ZVUGDTYBURUZNP-UHFFFAOYSA-N,2,1,0.412,80,34,494.475,2.984,6,0.321,0.55,0.966,0.33836782948392846,0.1507093413748201,0.0422092385717223,0.02189705983140292,0.13829586731546845
EOS-2-43248,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6conn6)nc5)n34)cn2)cn1,KZYHUYFYNOVMHI-UHFFFAOYSA-N,2,1,0.472,6,843,494.475,2.718,6,0.306,0.6,1.0,0.47105236104447945,0.2664399287231855,0.15208004934548694,0.08769104242341169,0.24431584538414092
EOS-2-43249,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnnn6C)n5)n34)nn2)cn1,PETBHVMYTGMZPH-UHFFFAOYSA-N,2,1,0.379,71,826,494.479,1.816,6,0.317,0.6,0.771,0.20008052909327667,0.11521657185936536,0.03522719484613803,0.020243643341786032,0.09269198478514151
EOS-2-43250,Fc1cccc(COc2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)cc2)c1,MWOJZSAAOFYLBQ-UHFFFAOYSA-N,2,1,0.584,77,994,494.486,5.138,6,0.287,0.72,1.0,0.9112980604482215,0.8163079980810088,0.8462236995408128,0.785047289424988,0.8397192618737578
EOS-2-43251,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)ccc2F)o1,KLQWDIULXFVYQV-UHFFFAOYSA-N,2,1,0.568,17,960,494.486,5.66,6,0.28,0.77,1.0,0.9406226440956754,0.7959701185662394,0.7346652045781646,0.6796741141799739,0.7877330203550134
EOS-2-43252,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)cc5)n34)cc2F)o1,CKZFUTFZJPAXGP-UHFFFAOYSA-N,2,1,0.534,17,960,494.486,5.66,6,0.28,0.77,1.0,0.8641714070317319,0.7880457131108217,0.7346737715029813,0.6767784935919402,0.7659173463093688
EOS-2-43253,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Oc6ccccc6)cc5F)n34)cn2)no1,ARVGMFPKKAWKMS-UHFFFAOYSA-N,2,1,0.473,17,410,494.486,5.66,6,0.28,0.57,1.0,0.7949592214378727,0.7032331574258104,0.7321208279076142,0.6679202933315057,0.7245583750257008
EOS-2-43254,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccc(F)cc6)cc5)n34)cc2)o1,HGHLPYHKUZXCLS-UHFFFAOYSA-N,2,1,0.6,17,593,494.486,5.66,6,0.28,0.76,1.0,0.8901034884517853,0.8122729764923583,0.777362757864437,0.7109348228359947,0.7976685114111439
EOS-2-43255,Fc1cc(-c2nnc3cncc(OCCc4cccc(Oc5ccccc5)c4)n23)ccc1-c1nnco1,GSGDHHLLXXCGBT-UHFFFAOYSA-N,2,1,0.614,17,960,494.486,5.394,6,0.278,0.72,1.0,0.9479816325131931,0.880517099581934,0.7585240901925845,0.7188335275169625,0.8264640874511686
EOS-2-43256,COc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(-c6ccc(F)cc6)o5)c4)n23)cc1,ZEMYUUZQSHNJHU-UHFFFAOYSA-N,2,1,0.627,77,897,494.486,5.235,6,0.297,0.81,1.0,0.9505345761085601,0.8578147488177644,0.7748183811938867,0.6856195600027414,0.8171968165307382
EOS-2-43257,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5F)nn4)n23)cc1,YSUIDHUFXKXAAA-UHFFFAOYSA-N,2,1,0.469,77,937,494.49,4.492,6,0.32,0.71,1.0,0.639829346857652,0.5720135700089096,0.6252570077445,0.5438369542868892,0.5952342197244878
EOS-2-43258,Fc1ccccc1Oc1ccc(-c2nnc3cncc(OCCc4nnnn4-c4ccccc4)n23)cc1,UNJWGZHTRXOMMF-UHFFFAOYSA-N,2,1,0.485,17,960,494.49,4.32,6,0.308,0.76,1.0,0.46142313755054487,0.45827907614282776,0.3572236310054143,0.44752758549790966,0.4311133575491741
EOS-2-43259,COc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncccc6OC)cc5)n34)n2)cc1F,SYWXBKBDZWGPCR-UHFFFAOYSA-N,2,1,0.33,3,289,494.49,4.257,6,0.338,0.72,0.52,0.17732677678020697,0.27153724898910286,0.5728445617161264,0.45381570831334384,0.368881073949695
EOS-2-43260,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4-n4nccn4)n23)ccc1-c1ccccn1,UGHURERIDNIZLU-UHFFFAOYSA-N,2,1,0.459,77,177,494.49,4.161,6,0.326,0.63,1.0,0.49352340483859913,0.41841717497087244,0.6046021520115139,0.5137156466314852,0.5075645946131176
EOS-2-43261,Cn1cc(-c2cncc(COc3cncc4nnc(-c5cccc(Oc6cccc(F)c6)c5)n34)n2)cn1,SVQPPECSHWMBGE-UHFFFAOYSA-N,2,1,0.469,28,881,494.49,4.492,6,0.32,0.72,1.0,0.3999297512165033,0.45395277911041054,0.6308769104242341,0.5823367144129943,0.5167740387910356
EOS-2-43262,COc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6ncccc6F)cc5)n34)nn2)cc1,HJNCZKFUNBWVFG-UHFFFAOYSA-N,2,1,0.628,77,104,494.49,4.161,6,0.326,0.73,1.0,0.29805188129668975,0.3758481255568501,0.582139675142211,0.5067336029059009,0.44069332122541294
EOS-2-43263,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(-c6cccnn6)c5)n34)cc2)o1,GAMDIEAUCHQNFU-UHFFFAOYSA-N,2,1,0.593,77,323,494.49,4.367,6,0.319,0.63,1.0,0.8863340415324515,0.7794445205948872,0.5222483037488863,0.46623774929751216,0.6635661537934343
EOS-2-43264,c1ccc(-c2ccsc2-c2nnc3cncc(OCCc4cccs4)n23)nc1,VBZUGCPHJDXCSC-UHFFFAOYSA-N,2,1,0.549,18,796,405.508,4.598,5,0.413,0.74,0.994,0.4429699814954424,0.24094476046878213,0.232669111095881,0.26555753546706873,0.2955353471317936
EOS-2-43265,c1csc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,SIZDNZFSNZACPX-UHFFFAOYSA-N,2,1,0.649,75,496,405.508,4.598,5,0.413,0.83,1.0,0.6763672812007402,0.5303097800013707,0.38366116098965114,0.3873192378863683,0.4944143650195326
EOS-2-43266,FCCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccnc(-c5cccnc5)n4)n23)c1,DOGQPYVFQAREGE-UHFFFAOYSA-N,2,1,0.367,80,34,494.494,3.45,6,0.313,0.65,0.996,0.30563360975944076,0.1395038037146186,0.21150023987389488,0.1839747104379412,0.21015309094647386
EOS-2-43267,Cn1cc(-c2ccc(-c3ccc(-c4nnc5cncc(OCCc6ccc(F)nc6)n45)nn3)cn2)cn1,HBKOUQQBSPBBPT-UHFFFAOYSA-N,2,1,0.427,6,549,494.494,3.199,6,0.308,0.63,1.0,0.5112569392091015,0.4365876225070249,0.36089027482694813,0.307715372489891,0.4041125522582414
EOS-2-43268,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(F)cn5)nc4)n23)cc1,ZCEHOTMSFWURJF-UHFFFAOYSA-N,2,1,0.583,67,415,494.494,3.199,6,0.329,0.68,1.0,0.7808237954903707,0.6394267013912686,0.2796758275649373,0.2832653690631211,0.4957979233774244
EOS-2-43269,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ncc(F)cn6)c5)n34)cc2)n(C)n1,CNSBPQSKBBZNJI-UHFFFAOYSA-N,2,1,0.5,56,8,494.494,3.465,6,0.342,0.69,1.0,0.6310225481461175,0.47137790418751285,0.21150880679871154,0.17559625796724007,0.37237637927489553
EOS-2-43270,CCn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncccc6F)cn5)n34)n2)cn1,KVLIZAMJOFAVFN-UHFFFAOYSA-N,2,1,0.375,80,350,494.494,3.64,6,0.327,0.64,1.0,0.33114591186347747,0.33189980124734425,0.2613083407580015,0.2357103694057981,0.29001610581865533
EOS-2-43271,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)nc1F,FMIGSVNXPRTOMG-UHFFFAOYSA-N,2,1,0.374,6,984,494.494,3.64,6,0.306,0.53,0.683,0.3822904530189843,0.3368086491672949,0.26470940991021863,0.22375094236172982,0.3018898636145569
EOS-2-43272,CCn1nnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)ncc2F)n1,HRPAHAPWQUKYQR-UHFFFAOYSA-N,2,1,0.457,67,755,494.494,3.64,6,0.327,0.56,1.0,0.5825680213830443,0.5533805085326571,0.06808135151805908,0.12424611061613323,0.33206899801247347
EOS-2-43273,Cc1nn(C)cc1-c1nc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)ncc1F,LHFARXOIHYLNHI-UHFFFAOYSA-N,2,1,0.412,71,428,494.494,3.465,6,0.342,0.71,1.0,0.5317061887464876,0.4844852991570146,0.22183195120279625,0.19476046878212597,0.3581959769721061
EOS-2-43274,Cc1nccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnnn6C)c5)n34)c(F)c2)n1,KEACVGFEYGBXJE-UHFFFAOYSA-N,2,1,0.465,77,402,494.494,3.465,6,0.342,0.61,1.0,0.582576588307861,0.5533890754574737,0.34568398327736277,0.31704475361524226,0.449673600164485
EOS-2-43275,CCn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)n2)cn1,SFFALEMDDCGEFF-UHFFFAOYSA-N,2,1,0.427,56,350,494.494,3.64,6,0.327,0.65,1.0,0.40843670755945444,0.427326776780207,0.27968439448975396,0.230013364402714,0.33636531080803234
EOS-2-43276,Cn1cnc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cc3)n12,INKZEJOGYDCDBI-UHFFFAOYSA-N,2,1,0.537,83,492,494.505,5.716,6,0.296,0.67,1.0,0.8138064560345418,0.7923805770680556,0.879540470152834,0.8878332533753683,0.8433901891576999
EOS-2-43277,Cn1ncnc1-c1ccc(-c2nnc3cncc(-n4cc(-c5cn(-c6nccs6)nn5)nn4)n23)cc1,ILTNXTQCPBVWDS-UHFFFAOYSA-N,2,1,0.467,98,882,494.508,1.872,7,0.347,0.63,1.0,0.0006168185868000823,0.029821465286820642,0.015154890000685354,0.015985881707902133,0.015394763895552053
EOS-2-43278,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C(F)F)nc6C)cc5)n34)cc2)n1,YJUQIGMVCBJIOC-UHFFFAOYSA-N,2,1,0.299,9,98,494.509,5.791,6,0.302,0.67,1.0,0.1611095881022548,0.23553903090946474,0.815271400178192,0.729396545815914,0.4853291412514564
EOS-2-43279,COCn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cncn6C)cc5)n34)n2)cn1,AYUXEJSJVFLJPU-UHFFFAOYSA-N,2,1,0.388,56,350,494.519,3.028,6,0.314,0.7,1.0,0.25719621684600097,0.16611267219518883,0.26851312452881915,0.17850044548009047,0.21758061476252485
EOS-2-43280,COCc1nc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc(C)[nH]n6)cc5)n34)nc2)n(C)n1,GQCGLPNLXKCPBO-UHFFFAOYSA-N,2,1,0.327,67,622,494.519,3.619,6,0.353,0.56,1.0,0.32341854567884315,0.327367898019327,0.12248132410389967,0.08064903022411075,0.21347919950654512
EOS-2-43281,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)ccc1-c1cncn1C,YMRLHHCIYONNSE-UHFFFAOYSA-N,2,1,0.408,80,350,494.519,2.97,6,0.329,0.65,1.0,0.23865739154273183,0.11841203481598246,0.30882050579124115,0.16739771091768899,0.2083219107669111
EOS-2-43282,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc5cncc(-c6ccsc6)n45)n23)c(F)c1,UAPNKTFDRGWYRE-UHFFFAOYSA-N,2,1,0.342,42,967,494.519,4.164,7,0.362,0.64,1.0,0.17169830717565623,0.29758070043177304,0.3163508327050922,0.4316273730381742,0.30431430333767395
EOS-2-43283,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(-c7ccccn7)n6)n5)n34)cc2)cc1,XFNKVZIXJRYYKQ-UHFFFAOYSA-N,2,1,0.312,93,993,494.522,4.558,7,0.342,0.66,1.0,0.03435336851483791,0.0867572476183949,0.22519875265574668,0.3327993283530944,0.16977717428551847
EOS-2-43284,c1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnnn6-c6ccccc6)n5)n34)cc2)cc1,GNCVPQABFZWQSD-UHFFFAOYSA-N,2,1,0.327,93,651,494.522,4.558,7,0.342,0.64,0.999,0.04900280995133987,0.053731752450140495,0.30158145432115685,0.4348913713933247,0.20980184702899046
EOS-2-43285,CCn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nncn6CC)nc5)n34)n2)cn1,SUSVGKRMYRZWOM-UHFFFAOYSA-N,2,1,0.339,92,816,494.523,2.717,6,0.31,0.63,1.0,0.18896066068124187,0.15071790829963677,0.0339849907477212,0.021905626756219588,0.09889229662120487
EOS-2-43286,c1cc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)nn2)ccn1,BKGAOFSUOQHMPY-UHFFFAOYSA-N,2,1,0.505,41,25,494.54,4.514,6,0.301,0.65,1.0,0.5368806113357549,0.5877081762730451,0.33829072716057845,0.28907374408882186,0.4379883147145501
EOS-2-43287,COc1cc(-c2nnc3cncc(OCc4csc(-c5cnccn5)n4)n23)ccc1-c1cccnc1,MOHNLMXGEWGTMN-UHFFFAOYSA-N,2,1,0.49,40,355,494.54,4.354,6,0.319,0.69,1.0,0.3430453704338291,0.38061990267973406,0.33106880954012746,0.2533496676033171,0.32702093756425193
EOS-2-43288,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cscc5-c5cccnc5)n34)cn2)cn1,GNPPYLABPXPVHI-UHFFFAOYSA-N,2,1,0.4,80,200,494.54,4.354,6,0.319,0.65,1.0,0.5112655061339182,0.39965560962236996,0.39837057089986977,0.2801812761291207,0.39736824069631965
EOS-2-43289,Cc1nnc(-c2nccc(COc3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)n2)s1,GEMCURLWROYULV-UHFFFAOYSA-N,2,1,0.522,17,960,494.54,4.78,6,0.309,0.75,1.0,0.44053697484750876,0.4539613460352272,0.15814543211568774,0.16487046809677197,0.30437855527379887
EOS-2-43290,COc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)n2)n1,KNKOYVCUWWYGEA-UHFFFAOYSA-N,2,1,0.412,28,297,494.54,4.354,6,0.319,0.63,1.0,0.4763124528819135,0.4582876430676444,0.2685216914536358,0.18951751079432527,0.3481598245493797
EOS-2-43291,COc1nc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)ccc1-c1csnn1,APYQLYGWDMWMRA-UHFFFAOYSA-N,2,1,0.423,77,177,494.54,4.354,6,0.319,0.63,1.0,0.2980604482215064,0.17885168939757384,0.24330066479336576,0.20654855732986088,0.23169033993557672
EOS-2-43292,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6noc(C7CC7)n6)cc5)n34)s2)nc1,ZKDOAXAZUHMXLQ-UHFFFAOYSA-N,2,1,0.468,40,8,494.54,4.816,7,0.308,0.6,1.0,0.4063206771297375,0.4138595709684052,0.04374271811390583,0.0823110136385443,0.23655849496264822
EOS-2-43293,Cc1nnc(COc2cncc3nnc(-c4cccnc4-c4cncs4)n23)n1C,XNTUMUWXKNGDSJ-UHFFFAOYSA-N,2,1,0.435,92,986,405.447,2.326,5,0.438,0.62,0.999,0.2164433554931122,0.2202213693372627,0.01056301829895141,0.008027208553217736,0.11381373792063601
EOS-2-43294,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccs4)n23)cnn1,KTPRZMAFSVLUIL-UHFFFAOYSA-N,2,1,0.558,31,779,405.447,2.06,5,0.422,0.65,0.921,0.3752998423685834,0.20092008772531011,0.037942910013021726,0.03514152559797135,0.16232609142622165
EOS-2-43295,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)n1,HOHONKMWWOKAND-UHFFFAOYSA-N,2,1,0.449,92,45,405.447,2.326,5,0.438,0.69,1.0,0.24952881913508326,0.23059591529024742,0.022779453087519705,0.0127475841272017,0.128912942910013
EOS-2-43296,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)nn2C)cn1,ZZZUQPLNYXTQSK-UHFFFAOYSA-N,2,1,0.465,7,828,405.447,2.326,5,0.438,0.61,1.0,0.1717068741004729,0.06912651634569256,0.04079569597697211,0.027011513946953603,0.07716015009252279
EOS-2-43297,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)cn2)nn1,CCYGYMSXRGRELO-UHFFFAOYSA-N,2,1,0.583,87,579,405.447,2.06,5,0.422,0.69,1.0,0.4129771777122884,0.3319083681721609,0.026865876225070248,0.02349050784730313,0.19881048248920566
EOS-2-43298,Cc1nnsc1COc1cncc2nnc(-c3ccc(-c4cnn(C)c4)nc3)n12,XWMNTJJVBLTBBR-UHFFFAOYSA-N,2,1,0.448,92,468,405.447,2.326,5,0.438,0.68,1.0,0.1529710095264204,0.2102409019258447,0.036615036666438214,0.028999040504420533,0.10720649715578096
EOS-2-43299,Cc1csc(COc2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)cn4)n23)n1,QIEWVUPSAUEKLK-UHFFFAOYSA-N,2,1,0.415,7,464,405.447,2.624,5,0.474,0.7,1.0,0.3004249194709067,0.31279555890617505,0.023687547118086492,0.012310670961551641,0.16230467411418
EOS-2-43300,Cn1nc(-c2nnc3cncc(OCCc4cncs4)n23)cc1-c1cncnc1,IHOKQGMXVRZNRL-UHFFFAOYSA-N,2,1,0.452,31,569,405.447,2.06,5,0.422,0.68,0.998,0.24682167089301624,0.0834589815639778,0.04710951956685628,0.0445223082722226,0.10547812007401822
EOS-2-43301,CCn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)nn2)n1,GLSWXXQPKDESNV-UHFFFAOYSA-N,2,1,0.414,53,44,405.447,2.5,5,0.424,0.66,1.0,0.15839387293537113,0.11842060174079912,0.026874443149886917,0.02107463504900281,0.081190888218765
EOS-2-43302,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)cn2)n1,BJAVCPYOHDSOMF-UHFFFAOYSA-N,2,1,0.59,87,510,405.447,2.06,5,0.422,0.73,1.0,0.45246213419231035,0.38062846960455077,0.018992872318552532,0.014255362894935234,0.2165847097525872
EOS-2-43303,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C#N)nc5)n34)s2)cc1,SMUSWGXGLDWLIT-UHFFFAOYSA-N,2,1,0.4,62,139,405.446,4.325,5,0.443,0.71,1.0,0.22190048660132958,0.3517150983482969,0.8316085258035776,0.838145089438695,0.5608423000479748
EOS-2-43304,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cc(-c5ccccc5)ncn4)s3)n12,LCSQDCDRZMUDLN-UHFFFAOYSA-N,2,1,0.556,30,93,494.555,5.737,6,0.282,0.7,0.999,0.6793485710369406,0.6251370707970667,0.6658299636762388,0.685628126927558,0.6639859331094511
EOS-2-43305,Fc1ccc(-c2ccc(-c3ccc(-c4nnc5cncc(OCCc6cccs6)n45)cn3)cc2)nc1,IAIGDCHYKXNYQT-UHFFFAOYSA-N,2,1,0.588,28,120,494.555,5.737,6,0.282,0.76,1.0,0.9313360975944075,0.9175947501884724,0.7111404290315948,0.7049636762387773,0.816258738263313
EOS-2-43306,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)no1,ZQASWRGPHHJJJJ-UHFFFAOYSA-N,2,1,0.517,65,981,405.443,3.228,5,0.424,0.75,1.0,0.48358577205126446,0.42733534370502363,0.08363888698512782,0.07519189911589336,0.2674379754643273
EOS-2-43307,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2O)n1,WJSFTAKSIKXFRR-UHFFFAOYSA-N,2,1,0.494,16,256,405.443,2.933,5,0.479,0.52,1.0,0.3935045576040025,0.2975892673565897,0.26853025837845246,0.20049174148447674,0.2900289562058804
EOS-2-43308,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)o1,NMOFOEZYLRSWQV-UHFFFAOYSA-N,2,1,0.517,65,981,405.443,3.228,5,0.424,0.73,1.0,0.4835943389760812,0.4044102528956206,0.09296826811047906,0.08065759714892742,0.2654076142827771
EOS-2-43309,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)n1,KSUMFBDFBGSPFH-UHFFFAOYSA-N,2,1,0.532,65,981,405.443,3.228,5,0.424,0.76,1.0,0.5242186964567199,0.4089849907477212,0.0908008361318621,0.07899561373449386,0.2757500342676993
EOS-2-43310,Clc1ccc(-c2nnc3cncc(OCc4c(Br)cccc4Br)n23)cc1,BKZNNHJRWICPME-UHFFFAOYSA-N,2,1,0.738,23,17,494.574,5.549,4,0.373,0.8,1.0,0.9894712494003153,0.9921441299431156,0.9403142348022754,0.961937153039545,0.9709666917963128
EOS-2-43311,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cc1,JPFWMIGVPRSAJP-UHFFFAOYSA-N,2,1,0.316,3,668,405.425,3.429,6,0.482,0.69,1.0,0.012687615653485026,0.03282845589747104,0.4088479199506545,0.42847474470564045,0.22070968405181274
EOS-2-43312,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)cn2)cc1,REAZAMUODLUEDQ-UHFFFAOYSA-N,2,1,0.265,10,195,405.425,3.429,6,0.482,0.75,0.306,0.002964155986567062,0.02036358028921938,0.34975327256528,0.3747601261051333,0.18696028373654994
EOS-2-43313,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2)cc1,XSBMLBJZCDWPDY-UHFFFAOYSA-N,2,1,0.324,3,39,405.425,3.429,6,0.482,0.69,1.0,0.009672058118017956,0.03592968268110479,0.36825783016928243,0.42518504557604003,0.2097611541361113
EOS-2-43314,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)cn2)cc1,KPNSRESRQJQZGQ-UHFFFAOYSA-N,2,1,0.265,10,195,405.425,3.429,6,0.482,0.72,0.389,0.00902953875676787,0.053740319374957164,0.3761394010006168,0.4028425056541704,0.21043794119662806
EOS-2-43315,c1cnc(-n2cccc2)c(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,NSGYUYGFIUQQKJ-UHFFFAOYSA-N,2,1,0.262,9,7,405.425,3.429,6,0.482,0.68,1.0,0.07202213693372626,0.07293879788910973,0.320017476526626,0.3519806730176136,0.20423977109176888
EOS-2-43316,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OC4COCC4C#N)n23)nn1C,LZETWZKKVANYPV-UHFFFAOYSA-N,2,1,0.344,78,792,405.422,1.151,5,0.496,0.5,0.003,0.12805839215955042,0.02983003221163731,0.13996641765471865,0.11505380028784867,0.10322716057843877
EOS-2-43317,N#Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cc1,FNFLGVYVECAGKR-UHFFFAOYSA-N,2,1,0.55,1,230,405.421,3.699,5,0.439,0.71,1.0,0.890112055376602,0.7923891439928723,0.8333219107669111,0.7988143376053731,0.8286593619354397
EOS-2-43318,N#Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)n23)cc1,BAWIVZSSVQBJIC-UHFFFAOYSA-N,2,1,0.536,1,436,405.421,3.699,5,0.439,0.74,1.0,0.7279401685970804,0.7405506819272154,0.6958399013090261,0.6590706599958879,0.7058503529573025
EOS-2-43319,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1,UCFQDDYJTVIJMU-UHFFFAOYSA-N,2,1,0.476,89,529,405.421,3.699,5,0.439,0.81,1.0,0.6641165787129052,0.5674559660064423,0.7633644027140017,0.732283599479131,0.68180513672812
EOS-2-43320,c1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n[nH]2)cc1,GZXGZHALNQNKLO-UHFFFAOYSA-N,2,1,0.338,93,220,405.421,4.503,6,0.464,0.75,1.0,0.13645397847988486,0.1547015283393873,0.4420875882393256,0.5168682749640189,0.31252784250565413
EOS-2-43321,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cn5)n34)cc2)c1,CEXOCTOGUUSOCM-UHFFFAOYSA-N,2,1,0.293,38,787,405.421,4.503,6,0.464,0.65,1.0,0.15566102391885409,0.13569152217120142,0.6224127887053663,0.6244859845109999,0.3845628298266054
EOS-2-43322,N#Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccccc5)n4)n23)cc1,BMWYUKQWPFOJNN-UHFFFAOYSA-N,2,1,0.577,1,347,405.421,3.699,5,0.439,0.77,1.0,0.8317455966006443,0.7880542800356384,0.610479062435748,0.5883421287094784,0.7046552669453773
EOS-2-43323,Oc1cccc2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn12,ZKHPEUIPWROUOG-UHFFFAOYSA-N,2,1,0.295,30,787,405.421,3.874,6,0.48,0.64,0.972,0.18328078952779112,0.22022993626207937,0.5046861078747172,0.540230278939072,0.36210677815091497
EOS-2-43324,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,IGHMBWFSPNKUND-UHFFFAOYSA-N,2,1,0.588,1,700,405.421,3.699,5,0.439,0.82,1.0,0.7310585292303474,0.6251456377218834,0.6769155643890069,0.6333013501473511,0.6666052703721471
EOS-2-43325,C#Cc1ncc(-c2cccc(COc3cncc4nnc(-c5ccccc5)n34)n2)cn1,CQGDEKQWVVKVJK-UHFFFAOYSA-N,2,1,0.512,1,700,405.421,3.204,5,0.415,0.72,1.0,0.44516311424850935,0.4671287094784456,0.40184017545062023,0.33911315194297853,0.41331128778013837
EOS-2-43326,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cc4)n23)cc1,OPWNYOPXYOBDEE-UHFFFAOYSA-N,2,1,0.558,89,230,405.421,3.699,5,0.439,0.79,1.0,0.9113066273730381,0.812281543417175,0.8429682681104791,0.8030292646151738,0.8423964258789665
EOS-2-43327,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)c1,YUHHNUADYHVCED-UHFFFAOYSA-N,2,1,0.31,9,556,405.421,4.503,6,0.464,0.72,1.0,0.15297957645123705,0.12546261394010005,0.640394763895552,0.644960934822836,0.39094947227743126
EOS-2-43328,c1ccc(-c2nocc2-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)cc4)n23)cc1,GPMHBTALNHKJSL-UHFFFAOYSA-N,2,1,0.315,69,220,405.421,4.503,6,0.464,0.65,1.0,0.1089798505928312,0.10252038928106368,0.5916832293879789,0.6507264752244535,0.3634774861215818
EOS-2-43329,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)cc1,MFLNHEXDVYNZFL-UHFFFAOYSA-N,2,1,0.329,30,668,405.421,4.299,6,0.435,0.7,1.0,0.038568295524638474,0.057621136316907684,0.6104876293605648,0.612980604482215,0.3299144164210815
EOS-2-43330,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5cncc(F)c5)n34)cn2)s1,HTEKHPRBHDDGGW-UHFFFAOYSA-N,2,1,0.432,2,995,405.418,3.945,5,0.447,0.74,1.0,0.7095384140908779,0.7081591391953944,0.4237286683572065,0.3966571859365362,0.5595208518950038
EOS-2-43331,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5nccs5)n34)c2)c1,ZJCBBGDDJLOPQY-UHFFFAOYSA-N,2,1,0.561,46,160,405.418,3.423,5,0.442,0.69,1.0,0.43131039681995753,0.44063977794530873,0.39090021245973544,0.41264306764443837,0.41887336371736
EOS-2-43332,Fc1ccccc1-c1nnc2cncc(OCc3nnc(-c4ccccn4)s3)n12,LONWLQGCZLFCAL-UHFFFAOYSA-N,2,1,0.542,4,820,405.418,3.423,5,0.442,0.72,1.0,0.5061510520183675,0.6443355493112193,0.16768041943663903,0.2533582345281338,0.39288131382358993
EOS-2-43333,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5cncs5)n4)n23)cc1,VNFLALKUOZKOJO-UHFFFAOYSA-N,2,1,0.577,97,335,405.418,3.423,5,0.442,0.74,1.0,0.8551247344253307,0.8696028373654993,0.3682663970940991,0.39371873072441915,0.621678174902337
EOS-2-43334,Fc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cncnc1,SWAFRSMIMUMEIY-UHFFFAOYSA-N,2,1,0.538,16,817,405.418,3.423,5,0.442,0.64,1.0,0.7666883695428689,0.6835292303474745,0.5693321225412926,0.5664964704269755,0.6465115482146528
EOS-2-43335,Fc1ccccc1-c1nnc2cncc(OCc3ccc(-c4csnn4)nc3)n12,VTZQEELGCGFUSL-UHFFFAOYSA-N,2,1,0.542,72,389,405.418,3.423,5,0.442,0.76,1.0,0.5161229525049689,0.567464532931259,0.4633164279350284,0.48745802206839833,0.5085904838599136
EOS-2-43336,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,IXUULSBXJJLYFN-UHFFFAOYSA-N,2,1,0.538,72,22,405.418,3.423,5,0.442,0.82,1.0,0.7155352614625454,0.5533976423822905,0.5980227537523131,0.5823452813378109,0.61232523473374
EOS-2-43337,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4)n23)nc1,OSDDYQJUCLSWKS-UHFFFAOYSA-N,2,1,0.494,72,909,405.418,3.423,5,0.442,0.8,1.0,0.5796295661709273,0.4495236789801933,0.5120622301418682,0.5232934685765198,0.5161272359673772
EOS-2-43338,Fc1cc(-c2nnc3cncc(OCc4cncs4)n23)ccc1-c1cncnc1,FASXOZVDLGYPAW-UHFFFAOYSA-N,2,1,0.538,16,817,405.418,3.423,5,0.442,0.68,1.0,0.8190579809471592,0.7264923583030636,0.5980313206771297,0.5792097868549105,0.6806978616955658
EOS-2-43339,Fc1ccccc1-c1nnc2cncc(OCc3ncc(-c4cccnn4)s3)n12,SUAFFOKAQFZQMR-UHFFFAOYSA-N,2,1,0.512,4,820,405.418,3.423,5,0.442,0.84,1.0,0.5010965663765334,0.6591049276951545,0.2942824343773559,0.3583373312315811,0.4532053149201562
EOS-2-43340,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nc4)n23)cc1,ZOCKAKWMZWVSOK-UHFFFAOYSA-N,2,1,0.645,43,389,405.418,3.423,5,0.442,0.76,1.0,0.7489805359468166,0.6885408813652252,0.5085497909670345,0.5264803646083202,0.6181378932218491
EOS-2-43341,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cscn5)n34)ncn2)cc1,SSJUYVFFQLVOLN-UHFFFAOYSA-N,2,1,0.554,44,238,405.418,3.423,5,0.442,0.74,0.999,0.49112466588993214,0.5441367966554725,0.4307706805565074,0.4568141319991776,0.48071156877527244
EOS-2-43342,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCc4cncs4)n23)nc1,HABZAPQLBHTEKY-UHFFFAOYSA-N,2,1,0.488,55,283,405.418,3.423,5,0.442,0.63,1.0,0.6641251456377218,0.6493214995545199,0.3382992940853951,0.3619268727297649,0.5034182030018505
EOS-2-43343,Fc1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1cncnc1,PYLBPPNJAPZHIR-UHFFFAOYSA-N,2,1,0.543,16,817,405.418,3.423,5,0.442,0.69,1.0,0.7429836885751491,0.7218233842779795,0.5760742923720101,0.5758601192515934,0.6541853711191831
EOS-2-43344,Fc1ccccc1-c1nnc2cncc(OCc3ccnc(-c4nccs4)n3)n12,CDFFEWTVPKXUPY-UHFFFAOYSA-N,2,1,0.536,4,850,405.418,3.423,5,0.442,0.71,1.0,0.5999503118360633,0.7218319512027962,0.23607018024809814,0.27726852169145366,0.4587802412446028
EOS-2-43345,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccsc5)n34)nn2)c1,IEXXNYJWHMQXTP-UHFFFAOYSA-N,2,1,0.506,2,875,405.418,3.423,5,0.442,0.79,1.0,0.40844527448427115,0.34189740250839556,0.4237372352820232,0.4377098896580084,0.4029474504831746
EOS-2-43346,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cscn5)cn4)n23)cc1,JWHVZNCEAWXTMN-UHFFFAOYSA-N,2,1,0.584,97,335,405.418,3.423,5,0.442,0.79,1.0,0.8413748200945789,0.8547135220341306,0.4160612706462888,0.4316359399629909,0.6359463881844973
EOS-2-43347,c1cc(-c2cnco2)cc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c1,LKTQQSRLSKTZKN-UHFFFAOYSA-N,2,1,0.324,69,484,405.417,5.373,6,0.392,0.81,1.0,0.21645192241792885,0.10252895620588033,0.7991313138235899,0.7943766705503392,0.4781222157494346
EOS-2-43348,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cc5)n34)cc2)c1,IKDHQDSFSHFYPD-UHFFFAOYSA-N,2,1,0.379,69,898,405.417,5.373,6,0.392,0.79,1.0,0.22190905352614626,0.16612123912000548,0.7610513330135015,0.7454852306216161,0.4736417140703173
EOS-2-43349,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cc2)co1,WDOHCJOIFJUBSX-UHFFFAOYSA-N,2,1,0.377,69,958,405.417,5.373,6,0.392,0.77,1.0,0.22191762045096292,0.15072647522445343,0.8316170927283942,0.8260657254471935,0.5075817284627511
EOS-2-43350,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4)n23)n(C)n1,JONQVSVZRGYSKW-UHFFFAOYSA-N,2,1,0.549,36,404,405.397,2.038,5,0.441,0.71,1.0,0.5825851552326777,0.6591134946199713,0.1277157151668837,0.1490559248852032,0.379617572476184
EOS-2-43351,Cn1cnc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)n(C)n4)n23)n1,ANXRLEXMPFLBAM-UHFFFAOYSA-N,2,1,0.448,95,965,405.397,2.038,5,0.441,0.71,1.0,0.3383763964087451,0.39468679322870265,0.11944006579398259,0.13708793091631827,0.24739779658693717
EOS-2-43352,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccoc4)n23)ccc1F,KWOQMJYNMNDMMG-UHFFFAOYSA-N,2,1,0.566,37,847,405.393,2.94,5,0.428,0.71,1.0,0.6282297306558837,0.5166198341443355,0.4703241724350627,0.44416078404495923,0.5148336303200602
EOS-2-43353,Cc1noc(C)c1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)c(F)c3)n12,WRDQPJWSRNLROO-UHFFFAOYSA-N,2,1,0.489,16,214,405.393,3.504,5,0.477,0.59,1.0,0.6367623877732849,0.6207165375916661,0.364659721746282,0.32621136316907684,0.48708750257007744
EOS-2-43354,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnco5)n34)cc2F)cn1,SQEBYZSUGOVKBV-UHFFFAOYSA-N,2,1,0.593,35,545,405.393,2.94,5,0.428,0.71,1.0,0.6398379137824687,0.5491827153724899,0.5085583578918511,0.4441693509697759,0.5354370845041464
EOS-2-43355,Cc1ccc(-c2nc(C3CC3)ccc2-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)cn1,GYAOSVCDWFQETN-UHFFFAOYSA-N,2,1,0.275,76,653,494.609,5.681,7,0.304,0.58,0.978,0.05532520046604071,0.102537523130697,0.12248989102871634,0.20655712425467754,0.12172743472003289
EOS-2-43356,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5nnnn5C)n34)cn2)o1,NVPIQZMBPIZZFF-UHFFFAOYSA-N,2,1,0.453,53,105,405.382,0.69,5,0.393,0.77,1.0,0.23033034062093072,0.2009286546501268,0.002450140497566993,0.0008309917072167774,0.10863503186896031
EOS-2-43357,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)no1,BUMVNXDUQMTPCR-UHFFFAOYSA-N,2,1,0.571,36,728,405.378,1.041,5,0.435,0.83,1.0,0.382299019943801,0.22023850318689603,0.05444280720992393,0.053774587074223834,0.17768872935371122
EOS-2-43358,COc1cc(-c2nnc3cncc(OCc4ncn(C)n4)n23)ccc1-c1ncon1,MUDSHKSFBYTWAI-UHFFFAOYSA-N,2,1,0.45,36,375,405.378,1.557,5,0.41,0.62,1.0,0.3592539921869646,0.16612980604482214,0.050656226440956756,0.022668083064903023,0.14967702693441162
EOS-2-43359,COc1nc(-c2nnc3cncc(OCc4ncnn4C)n23)ccc1-c1cocn1,AOQGPNDTFVKNMM-UHFFFAOYSA-N,2,1,0.387,49,105,405.378,1.557,5,0.41,0.61,1.0,0.2437975464327325,0.10925399218696456,0.02278802001233637,0.00867829483928449,0.09612946336782949
EOS-2-43360,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccc(C(F)F)n4)n23)cn1,IQGYUSHKIGUSGJ-UHFFFAOYSA-N,2,1,0.281,50,542,405.372,2.981,5,0.453,0.69,0.796,0.15298814337605374,0.1960883421287095,0.40885648687547116,0.3840895072304846,0.28550561990267975
EOS-2-43361,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(C(F)F)n5)n34)cc2)cn1,XZULOXWUQVHDNH-UHFFFAOYSA-N,2,1,0.338,61,917,405.372,3.21,5,0.453,0.76,1.0,0.12806695908436708,0.21518401754506203,0.3235813172503598,0.33609759440751147,0.2507324720718251
EOS-2-43362,Cn1nc(-c2ccc(F)cn2)cc1Oc1cncc2nnc(-c3cccc(F)c3)n12,SVTBLRVHDZVAIN-UHFFFAOYSA-N,2,1,0.488,13,706,405.368,3.657,5,0.454,0.74,1.0,0.48360290590089783,0.5720221369337263,0.6339267356589678,0.647822287711603,0.5843435165512988
EOS-2-43363,Cn1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)n1,IPPLLDCTKJXOBW-UHFFFAOYSA-N,2,1,0.459,13,995,405.368,3.657,5,0.454,0.75,1.0,0.4313189637447742,0.48449386608183126,0.7903416489616887,0.7608799945171681,0.6167586183263656
EOS-2-43364,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1,UAQUYXIFLJPRAO-UHFFFAOYSA-N,2,1,0.558,67,520,405.368,3.657,5,0.454,0.77,1.0,0.5742666712356932,0.6443441162360359,0.7396425878966486,0.7350335823452814,0.6733217394284148
EOS-2-43365,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nc2)cn1,ZEYQQGXVHNAVMK-UHFFFAOYSA-N,2,1,0.437,13,251,405.368,3.657,5,0.454,0.82,1.0,0.4383524090192584,0.4450774450003427,0.7991398807484066,0.7661486532794188,0.6121795970118566
EOS-2-43366,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)cc1,KWCYSQZEGLVKHK-UHFFFAOYSA-N,2,1,0.573,67,15,405.368,3.657,5,0.454,0.82,1.0,0.6114813926392982,0.6689140566102392,0.7293708450414639,0.7376550613391817,0.6868553389075458
EOS-2-43367,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nc2)n1,DLOKOIBMSWZDKH-UHFFFAOYSA-N,2,1,0.42,13,251,405.368,3.657,5,0.454,0.81,1.0,0.42448255774107324,0.4671372764032623,0.7423497361387157,0.7109433897608115,0.5862282400109657
EOS-2-43368,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)c1,DNCOQJBBLGDUOP-UHFFFAOYSA-N,2,1,0.565,4,71,405.368,3.434,5,0.482,0.67,1.0,0.7032845589747104,0.6933040915632924,0.7944623397985059,0.7897333972997053,0.7451960969090535
EOS-2-43369,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)c(F)c1,KRCNMMVJRHWFMY-UHFFFAOYSA-N,2,1,0.489,4,22,405.368,3.434,5,0.482,0.66,1.0,0.7865807689671716,0.6786460832019738,0.7472328832842163,0.7376636282639983,0.73753084092934
EOS-2-43370,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4F)n23)c1,QYYHLWSNKKYCPN-UHFFFAOYSA-N,2,1,0.535,4,712,405.368,3.434,5,0.482,0.69,1.0,0.6971506408059763,0.7311784661777808,0.7842248646425879,0.7806781577684874,0.7483080323487081
EOS-2-43371,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)cc2)n1,QHYALNFTAUZFSW-UHFFFAOYSA-N,2,1,0.694,13,15,405.368,3.657,5,0.454,0.71,1.0,0.6641337125625385,0.634954766636968,0.7564080597628675,0.7294051127407306,0.6962254129257761
EOS-2-43372,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cc4)n23)cc1,GHSZJFAHWKZMOF-UHFFFAOYSA-N,2,1,0.5,61,697,405.368,3.845,5,0.477,0.72,1.0,0.43342642724967445,0.42734391062984034,0.9052583784524707,0.887841820300185,0.6634676341580427
EOS-2-43373,OCc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5F)n4)n23)cc1,LBHKHQHKUMITIF-UHFFFAOYSA-N,2,1,0.349,22,331,405.368,2.81,5,0.494,0.76,1.0,0.16111815502707147,0.35665821396751424,0.7396511548214653,0.7756408059762867,0.5082670824480844
EOS-2-43374,COc1ccc(F)c(F)c1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)cc3)n12,QYQIWPVJBSTECM-UHFFFAOYSA-N,2,1,0.357,96,697,405.368,3.53,5,0.492,0.72,1.0,0.4569169350969776,0.4629052155438284,0.7819546295661709,0.7322921664039477,0.6085172366527312
EOS-2-43375,Cn1cc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)nn1,UGQIJWMTUBQLMN-UHFFFAOYSA-N,2,1,0.612,13,15,405.368,3.657,5,0.454,0.78,1.0,0.5161315194297855,0.5303183469261874,0.7842334315674045,0.7782794188198204,0.6522406791857995
EOS-2-43376,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5c(F)cccc5F)n34)cn2)cn1,HEZZMKUPENTSMM-UHFFFAOYSA-N,2,1,0.481,13,374,405.368,3.657,5,0.454,0.69,1.0,0.5086782948392845,0.5534062093071072,0.7542149270098005,0.7267493660475636,0.635762199300939
EOS-2-43377,Cn1ccnc1-c1cncc(-c2nnc3cncc(Oc4cc(F)ccc4F)n23)c1,MRVCXYSKHAVBOF-UHFFFAOYSA-N,2,1,0.476,2,995,405.368,3.657,5,0.454,0.71,1.0,0.5344990062367213,0.5394849564800219,0.7423583030635323,0.7267579329723802,0.635775049688164
EOS-2-43378,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)n1,DQZVAEVEPNCAMV-UHFFFAOYSA-N,2,1,0.488,13,251,405.368,3.657,5,0.454,0.73,1.0,0.4861815502707148,0.5583750257007745,0.7371153450757316,0.707962099924611,0.622408505242958
EOS-2-43379,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5cccc(F)c5)n34)cc2F)n1,BVYQXGIUDQYUMI-UHFFFAOYSA-N,2,1,0.636,13,15,405.368,3.657,5,0.454,0.74,1.0,0.5317147556713042,0.6591220615447879,0.6985299157014598,0.7135820026043451,0.6507371838804743
EOS-2-43380,FC(F)Oc1ccc(-c2nnc3cncc(-c4cccc(-n5ccnc5)n4)n23)cc1,UYKSGXAMMMYYNJ-UHFFFAOYSA-N,2,1,0.475,96,121,405.368,3.64,5,0.444,0.77,1.0,0.1529967103008704,0.33681721609211157,0.8316256596532109,0.7920207662257556,0.5283650880679871
EOS-2-43381,Cn1cc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)cn1,YXLHCWOJGXEYAE-UHFFFAOYSA-N,2,1,0.597,13,995,405.368,3.657,5,0.454,0.71,1.0,0.5086868617641012,0.44953224590500995,0.8557758207113975,0.8260742923720101,0.6600173051881297
EOS-2-43382,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cc(F)ccc5F)n34)cn2)cn1,VKGXTEKXXSWKRJ-UHFFFAOYSA-N,2,1,0.5,13,995,405.368,3.657,5,0.454,0.79,1.0,0.4739394147076965,0.5583835926255911,0.7991484476732232,0.7661572202042355,0.6494071688026866
EOS-2-43383,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)cn1,FPEAOFVWQAUNGU-UHFFFAOYSA-N,2,1,0.512,13,251,405.368,3.657,5,0.454,0.77,1.0,0.4592300047974779,0.5441453635802892,0.7967754094990063,0.7608885614419848,0.6402598348296895
EOS-2-43384,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1F,RGZGKEMJQRCFBU-UHFFFAOYSA-N,2,1,0.746,43,96,405.368,3.434,5,0.482,0.7,1.0,0.9574309505859776,0.8240010965663765,0.8446045507504626,0.8180642176684257,0.8610252038928106
EOS-2-43385,Fc1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5)nn4)n23)cc1F,BJZKCPXBGHVDGR-UHFFFAOYSA-N,2,1,0.741,34,104,405.368,3.229,5,0.447,0.69,1.0,0.3801230210403673,0.5491912822973065,0.6606212733877047,0.6996179151531766,0.5723883729696388
EOS-2-43386,Fc1ccc(-c2nnc3cncc(OCc4ncnn4-c4ccc(F)cc4)n23)cc1,GDAFOISERMSKMX-UHFFFAOYSA-N,2,1,0.577,34,612,405.368,3.229,5,0.447,0.8,1.0,0.6337810979370845,0.6251542046467,0.6133661160989651,0.6883695428688917,0.6401677403879104
EOS-2-43387,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)c(F)c1,WUVWFNWFBRGNGN-UHFFFAOYSA-N,2,1,0.548,16,10,405.368,3.229,5,0.447,0.72,1.0,0.45474093619354394,0.5166284010691522,0.7242563909259132,0.7135905695291618,0.6023040744294428
EOS-2-43388,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1F,SJJWVTQCDVHMLN-UHFFFAOYSA-N,2,1,0.566,43,178,405.368,3.434,5,0.482,0.64,1.0,0.8729867726680831,0.7669111095881023,0.8661932012884654,0.8510725789870468,0.8392909156329245
EOS-2-43389,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccccc5)n4)n23)c(F)c1,GTJRTZVHGFCTEK-UHFFFAOYSA-N,2,1,0.541,34,612,405.368,3.229,5,0.447,0.73,1.0,0.39993831814131997,0.5303269138510041,0.562487149612775,0.6244945514358166,0.5293117332602288
EOS-2-43390,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cncc(F)c5)n34)c(F)c2)cn1,AXPLZFXHJIABOM-UHFFFAOYSA-N,2,1,0.453,13,374,405.368,3.657,5,0.454,0.77,1.0,0.5769909533273936,0.6163302720855321,0.8279247481324103,0.7988229045301899,0.7050172195188815
EOS-2-43391,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)cc1F,WAWAARAMLHSWBD-UHFFFAOYSA-N,2,1,0.726,43,96,405.368,3.434,5,0.482,0.73,1.0,0.9128486738400384,0.8240096634911932,0.8744345829621,0.8579946542389144,0.8673218936330614
EOS-2-43392,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)n1,DEQSHTKBOCKZEP-UHFFFAOYSA-N,2,1,0.351,96,121,405.368,4.149,5,0.443,0.75,1.0,0.36370022616681513,0.37585669248166675,0.7162206154478789,0.6767870605167569,0.5331411486532794
EOS-2-43393,Fc1cc(F)cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)c1,MFOBKZSMKHHKLZ-UHFFFAOYSA-N,2,1,0.726,4,439,405.368,3.229,5,0.447,0.66,1.0,0.292577616338839,0.37586525940648347,0.732129394832431,0.7188420944417792,0.5298535912548832
EOS-2-43394,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)cn1,HKBNMCWRRMKOHF-UHFFFAOYSA-N,2,1,0.523,97,992,405.368,3.434,5,0.45,0.64,1.0,0.8918768418888355,0.7405592488520321,0.8316342265780275,0.8052395312178741,0.8173274621341923
EOS-2-43395,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5cc(F)ccc5F)n34)cc2)n1,SRNICEDGIIOWBW-UHFFFAOYSA-N,2,1,0.557,13,15,405.368,3.657,5,0.454,0.76,1.0,0.542037900075389,0.6493300664793366,0.734682338427798,0.7109519566856282,0.659250565417038
EOS-2-43396,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccoc5)n34)c2)cc1F,QCOYYDJWRYSNFZ-UHFFFAOYSA-N,2,1,0.476,59,153,405.364,4.304,5,0.434,0.76,1.0,0.6852854499348914,0.5213744774175861,0.9052669453772874,0.8961003358234528,0.7520068021383044
EOS-2-43397,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4)n23)cc1,YRQIKUNUEYJBCP-UHFFFAOYSA-N,2,1,0.529,9,558,405.364,4.715,5,0.421,0.79,1.0,0.6941607840449592,0.7359159756013981,0.9438009732026592,0.9285261462545404,0.8256009697758893
EOS-2-43398,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccoc5)cn4)n23)c1,BAADMRPMJATYFL-UHFFFAOYSA-N,2,1,0.476,59,109,405.364,4.304,5,0.434,0.73,1.0,0.7459392776368995,0.5970632581728462,0.8986704132684532,0.8961089027482695,0.7844454629566171
EOS-2-43399,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)cc1F,VQNYAKKGMBHIRH-UHFFFAOYSA-N,2,1,0.757,57,951,405.364,4.304,5,0.434,0.78,1.0,0.972174628195463,0.8885785758344185,0.9112809265985882,0.8836354602152011,0.9139173977109176
EOS-2-43400,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cc4)n23)c(F)c1,PHNWYKFQOCSEKT-UHFFFAOYSA-N,2,1,0.597,57,951,405.364,4.304,5,0.434,0.79,1.0,0.9113151942978548,0.8122901103419916,0.9064406140771709,0.8973596737715029,0.88185139812213
EOS-2-43401,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4cncnc4)c(F)n3)n12,MOLAKEFTTJBCSD-UHFFFAOYSA-N,2,1,0.362,92,105,405.357,0.885,5,0.388,0.61,1.0,0.38230758686861765,0.36131005414296485,0.033993557672537866,0.047323692687272975,0.20623372284284833
EOS-2-43402,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncnn4)n23)cc1F,GZIMBYNDHPABGD-UHFFFAOYSA-N,2,1,0.475,36,728,405.357,0.885,5,0.415,0.71,1.0,0.4911332328147488,0.5031526283325337,0.06609382496059214,0.08769960934822836,0.28701982386402575
EOS-2-43403,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnncn4)n23)cc1F,PSSYYWUDVGDXCW-UHFFFAOYSA-N,2,1,0.472,36,728,405.357,0.885,5,0.415,0.71,1.0,0.5548625865259407,0.5213830443424029,0.07671681173326023,0.09535844013432938,0.3120802206839833
EOS-2-43404,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)nn3)n12,RGDGSTJKBPPVMA-UHFFFAOYSA-N,2,1,0.38,53,105,405.357,0.885,5,0.388,0.67,1.0,0.3501302172572133,0.3806370365293674,0.02471557809608663,0.03710335138098828,0.19814654581591393
EOS-2-43405,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)nc1,OVOKOHFSEIPUAG-UHFFFAOYSA-N,2,1,0.418,51,924,405.353,1.787,5,0.412,0.71,1.0,0.5499109039819067,0.46291378246864506,0.0767253786580769,0.08231958056336097,0.29296741141799737
EOS-2-43406,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccon5)n34)cnn2)n1,BLSYKHZUWBILLJ-UHFFFAOYSA-N,2,1,0.551,65,778,405.353,1.787,5,0.412,0.52,0.998,0.5011051333013501,0.4228719758755397,0.1135031868960318,0.13275306695908437,0.2925583407580015
EOS-2-43407,Cc1onnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)cn4)nn3)n12,HSPZGUIRQQHGDR-UHFFFAOYSA-N,2,1,0.38,53,411,405.353,2.053,5,0.428,0.63,0.782,0.43836097594407514,0.4184257418956891,0.05810088410664108,0.08066616407374409,0.24888844150503733
EOS-2-43408,Oc1cocc1COc1cncc2nnc(-c3ccc(-c4ccnc(F)n4)nc3)n12,SLBDFKSSZRIWNY-UHFFFAOYSA-N,2,1,0.455,55,283,405.349,2.66,5,0.439,0.58,0.997,0.797734905078473,0.7173600164484957,0.4420961551641423,0.3361061613323281,0.5733243095058598
EOS-2-43409,Fc1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)nn5)cc4F)n23)cc1,MPMVBYXPTPPCNT-UHFFFAOYSA-N,2,1,0.449,45,46,405.343,3.728,5,0.455,0.73,0.997,0.43132753066959084,0.7081677061202111,0.8557843876362141,0.8918682749640189,0.7217869748475088
EOS-2-43410,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)o4)n23)cc(C(F)F)c1,HAUARGUEJAEUME-UHFFFAOYSA-N,2,1,0.338,50,216,405.324,3.911,5,0.441,0.68,0.986,0.38013158796518404,0.42288054280035636,0.8914998971969021,0.8612929202933315,0.6389512370639435
EOS-2-43411,Fc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(F)c1,RAIHECLUZRLBCL-UHFFFAOYSA-N,2,1,0.693,90,305,405.311,3.645,4,0.456,0.78,1.0,0.962759577821945,0.9679768350352957,0.9643273250633952,0.9513998355150435,0.9616158933589198
EOS-2-43412,Clc1ccc(Br)cc1-c1nnc2cncc(OCc3cncc(-c4cncnc4)c3)n12,VOPAAFOYBYOJDL-UHFFFAOYSA-N,2,1,0.477,2,817,494.74,4.638,5,0.351,0.76,1.0,0.6641422794873553,0.7405678157768487,0.8133695428688917,0.8301350147351106,0.7620536632170516
EOS-2-43413,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)c2)cn1,ZZUKCKDHSRKSRW-UHFFFAOYSA-N,2,1,0.467,46,157,494.74,4.638,5,0.329,0.8,1.0,0.4663833870193955,0.597071825097663,0.6848399698444246,0.7135991364539784,0.6154735796038653
EOS-2-43414,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Br)c5)n34)cc2)cn1,DZQCUXSAAWFDRI-UHFFFAOYSA-N,2,1,0.53,16,19,494.74,4.638,5,0.351,0.72,1.0,0.8863426084572682,0.8122986772668083,0.7242649578507299,0.7323007333287643,0.7888017442258927
EOS-2-43415,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnccc5Br)n4)n23)cc1,WPOFFOUSWMMTNW-UHFFFAOYSA-N,2,1,0.556,73,401,494.74,4.638,5,0.351,0.61,1.0,0.7666969364676856,0.9456342951134261,0.6769241313138236,0.7429579878006991,0.7830533376739086
EOS-2-43416,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Br)c5)n34)cn2)cn1,AUAHNDHOHLHECF-UHFFFAOYSA-N,2,1,0.477,55,879,494.74,4.638,5,0.329,0.78,1.0,0.77506682201357,0.8123072441916249,0.7321379617572477,0.7454937975464327,0.7662514563772188
EOS-2-43417,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)cc2)nn1,MOAJFJAYLKGMLQ-UHFFFAOYSA-N,2,1,0.554,72,22,494.74,4.638,5,0.351,0.77,1.0,0.7065142896305942,0.8003992186964567,0.6684771434445891,0.6912480296072921,0.716659670344733
EOS-2-43418,Fc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)c(Cl)cc1Cl,LHYLHQSZRDWGMI-UHFFFAOYSA-N,2,1,0.538,90,281,405.22,3.649,4,0.472,0.75,1.0,0.8459324240970462,0.9362192447399081,0.7881570831334385,0.859605236104448,0.8574784970187102
EOS-2-43419,N#Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(OC(F)(F)F)ccc5Cl)n34)cc2)nn1,PLAFSGXWCGUIBQ-UHFFFAOYSA-N,2,1,0.412,96,121,494.824,4.734,5,0.352,0.71,1.0,0.6608868480570215,0.9006151052018367,0.9740165170310465,0.9638561441984785,0.8748436536220958
EOS-2-43421,N#Cc1cncc(-n2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)n6)cc5F)n34)n2)c1,MNLPLWNAZROKCH-UHFFFAOYSA-N,2,1,0.276,10,151,494.881,4.16,6,0.335,0.59,0.909,0.03178329106983757,0.25597971352203414,0.7495373860599,0.7782879857446371,0.45389709409910217
EOS-2-43422,COc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2OC)ccc1F,HBUUORFUZMOIQT-UHFFFAOYSA-N,2,1,0.518,57,209,494.885,6.199,5,0.28,0.65,1.0,0.9097731478308546,0.8885871427592351,0.9781457747926804,0.9603008703995614,0.9342017339455829
EOS-2-43423,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1ncc(F)cn1,DAMFGRROZRLGDS-UHFFFAOYSA-N,2,1,0.54,88,313,494.889,4.81,5,0.321,0.65,1.0,0.977203413062847,0.9532417243506272,0.8618669042560483,0.8340586663011446,0.9065926769926668
EOS-2-43424,FC(F)Oc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,CWYIOGQMPZMENK-UHFFFAOYSA-N,2,1,0.535,1,111,494.889,5.125,5,0.276,0.76,1.0,0.9067918579946542,0.9404855732986087,0.9243968884929066,0.90001542046467,0.9179224350627099
EOS-2-43425,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c(F)c2)cc1=O,CWKNGDFFAIYZLU-UHFFFAOYSA-N,2,1,0.527,88,70,494.889,4.105,5,0.353,0.76,1.0,0.685294016859708,0.788062846960455,0.867546775409499,0.8822818860941677,0.8057963813309574
EOS-2-43426,FC(F)Oc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ccc(Cl)cc1,HBMIXSJYCQHNOT-UHFFFAOYSA-N,2,1,0.535,11,384,494.889,5.125,5,0.295,0.77,1.0,0.9068004249194709,0.9097731478308546,0.8880988280446851,0.8765934480159002,0.8953164622027276
EOS-2-43427,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1-c1ccc(F)nc1,SHSJQVXSXHPLLS-UHFFFAOYSA-N,2,1,0.444,88,384,494.889,4.81,5,0.3,0.67,1.0,0.8936587622507025,0.8610444794736481,0.8513381536563636,0.8260828592968268,0.8580310636693853
EOS-2-43428,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)cc1,VJLYASQHYLXGOH-UHFFFAOYSA-N,2,1,0.647,11,275,494.889,5.125,5,0.295,0.8,1.0,0.9454458227674594,0.9665889932149956,0.905275512302104,0.8918768418888355,0.9272967925433486
EOS-2-43429,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)nn2)cc1,VZGIBVBRAAKBBI-UHFFFAOYSA-N,2,1,0.64,19,691,494.889,5.125,5,0.295,0.81,0.916,0.9223408265369063,0.9489411280926598,0.9102186279213214,0.9104156671921048,0.9229790624357481
EOS-2-43430,FC(F)Oc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cc1,FXNMHPUVJUHNOT-UHFFFAOYSA-N,2,1,0.578,11,848,494.889,5.125,5,0.276,0.8,0.999,0.8059762867521074,0.9137567678706051,0.8891268590226852,0.8851261051333014,0.8734965046946748
EOS-2-43431,COc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ccn4)n23)ncc1F,XGSOGYGYLPGHJP-UHFFFAOYSA-N,2,1,0.439,11,503,494.889,4.81,5,0.321,0.66,0.528,0.7920036323761223,0.712836680145295,0.8730981426906997,0.8510811459118635,0.8072549002809952
EOS-2-43432,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccc(F)c(F)n1,PPAKJFGESGBKFP-UHFFFAOYSA-N,2,1,0.48,11,848,494.889,4.81,5,0.3,0.63,1.0,0.9600952642039613,0.9316616407374408,0.8367144129943116,0.7920293331505722,0.8801251627715716
EOS-2-43433,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)c(F)c2)ccc1=O,PXPIXGBBIRGGRV-UHFFFAOYSA-N,2,1,0.533,88,70,494.889,4.105,5,0.353,0.75,1.0,0.7519446919333836,0.8083750257007745,0.8316427935028442,0.8510897128366801,0.8107630559934207
EOS-2-43434,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc2F)ccc1=O,PLUFSCYLNHGZNO-UHFFFAOYSA-N,2,1,0.671,91,781,494.889,4.105,5,0.353,0.68,1.0,0.9036220958124872,0.8639658008361318,0.8513467205811802,0.8596138030292646,0.869637105064766
EOS-2-43435,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cc2F)ccc1=O,ZIEMXLAXJLQJNT-UHFFFAOYSA-N,2,1,0.538,88,70,494.889,4.105,5,0.353,0.71,1.0,0.8163422657802755,0.8516722637242136,0.8367229799191283,0.8580032211637311,0.8406851826468371
EOS-2-43436,Cc1nc(-c2ccc(C(F)F)nc2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,LOEGOGJBKJDFRQ-UHFFFAOYSA-N,2,1,0.447,18,531,494.893,4.559,5,0.303,0.66,1.0,0.7865893358919882,0.7959786854910561,0.7010485915975602,0.6391868274964019,0.7307008601192515
EOS-2-43437,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)cc(C(F)F)n1,VSZNDMVTNIFSMH-UHFFFAOYSA-N,2,1,0.521,75,819,494.893,4.559,5,0.324,0.64,0.957,0.8685062709889658,0.8516808306490302,0.6521143170447536,0.5853351380988281,0.7394091391953944
EOS-2-43438,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cc2)cc1,USKVUPKBCXWKPE-UHFFFAOYSA-N,2,1,0.821,79,497,494.904,6.752,5,0.262,0.83,1.0,0.9928123500788157,0.9960163799602495,0.9966417654718662,0.9963761908025495,0.9954616715783702
EOS-2-43439,FC(F)(F)c1ccccc1-c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,QUAICWCTZFWNTL-UHFFFAOYSA-N,2,1,0.781,79,497,494.904,6.752,5,0.262,0.81,1.0,0.9990662051949832,0.9984836543074498,0.9953224590500994,0.994791309711466,0.9969159070659996
EOS-2-43440,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cn2)nc1,FCAKHYWCDMGVLY-UHFFFAOYSA-N,2,1,0.426,80,165,494.906,3.728,6,0.337,0.65,1.0,0.5885220341306284,0.721840518127613,0.4054125830991707,0.4093276677403879,0.5312757007744501
EOS-2-43441,Clc1nccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cn2)n1,IEKFBYXMCWTEJH-UHFFFAOYSA-N,2,1,0.421,80,277,494.906,3.728,6,0.315,0.69,1.0,0.6669779316016723,0.577342197244877,0.37986601329586733,0.34866527311356316,0.49321285381399493
EOS-2-43442,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cn2)cn1,DFGVWNQDTDJNDO-UHFFFAOYSA-N,2,1,0.402,80,165,494.906,3.728,6,0.315,0.63,1.0,0.5446850798437393,0.6983414433554931,0.45290761428277704,0.43771845658282504,0.5334131485162086
EOS-2-43443,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cncc(-c6cccnn6)n5)nc4)n23)cn1,GSEXNDQMDKDLJO-UHFFFAOYSA-N,2,1,0.457,6,297,494.906,3.728,6,0.315,0.61,1.0,0.6912308957576588,0.6639709409910218,0.40184874237543694,0.40588376396408743,0.5407335857720512
EOS-2-43444,Clc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cn2)cn1,CFTINLURRIRIES-UHFFFAOYSA-N,2,1,0.457,6,218,494.906,3.728,6,0.315,0.61,0.978,0.5446936467685559,0.6591306284696046,0.34976183949009665,0.33611472825714483,0.4724252107463505
EOS-2-43445,Clc1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)nn1,PGKVXHCVUMXITO-UHFFFAOYSA-N,2,1,0.457,6,414,494.906,3.728,6,0.337,0.61,1.0,0.547169488040573,0.6737629360564732,0.2685388253032691,0.2981975190185731,0.44691719210472214
EOS-2-43446,Clc1cncc(-c2ncnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)c1,KGYJAOFJTALMDC-UHFFFAOYSA-N,2,1,0.432,6,297,494.906,3.728,6,0.337,0.68,1.0,0.697159207730793,0.7032417243506272,0.24682167089301624,0.2860581865533548,0.48332019738194776
EOS-2-43447,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)cc1-c1ncccn1,OWHZYEBPTQFDES-UHFFFAOYSA-N,2,1,0.483,80,277,494.906,3.728,6,0.337,0.59,1.0,0.6702419299568227,0.8780412583099171,0.3497704064149133,0.3682920978685491,0.5665864231375506
EOS-2-43448,Clc1nccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)n1,NQOBUXWHVCVWLE-UHFFFAOYSA-N,2,1,0.44,80,621,494.906,3.728,6,0.315,0.65,1.0,0.7750753889383867,0.7452196559522993,0.4197107806181893,0.3998012473442533,0.5849517682132821
EOS-2-43449,Clc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccnnc6)cn5)n34)nn2)cc1,QZVKWJZAVJEFAZ-UHFFFAOYSA-N,2,1,0.435,71,826,494.906,3.728,6,0.337,0.64,1.0,0.49604208073469946,0.7265009252278802,0.3682749640189158,0.43164450688780753,0.5056156192173258
EOS-2-43450,Clc1nccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cccnc6)nn5)n34)cc2)n1,OYZHFDYFORIVBC-UHFFFAOYSA-N,2,1,0.432,40,59,494.906,3.728,6,0.315,0.62,1.0,0.6398464807072853,0.6933126584881091,0.30882907271605786,0.3361232951819615,0.49452787677335347
EOS-2-43451,Fc1cc(Oc2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)ccc1Cl,FOWGRVRZMDERRT-UHFFFAOYSA-N,2,1,0.416,93,107,494.917,6.5,6,0.272,0.82,1.0,0.5742752381605098,0.7710403673497361,0.9084024398601878,0.9307621136316908,0.7961200397505311
EOS-2-43452,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5-c5ccc(F)cc5)n34)cn2)nn1,CORXZOJAHODYPO-UHFFFAOYSA-N,2,1,0.329,3,192,494.921,5.473,6,0.32,0.77,1.0,0.3056421766842574,0.5773507641696937,0.7681790144609691,0.8320540058940443,0.6208064903022411
EOS-2-43453,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnccn6)c5)n34)c(Cl)c2)cc1F,YDYFJZSWGFLGEV-UHFFFAOYSA-N,2,1,0.35,3,50,494.921,5.473,6,0.32,0.62,1.0,0.34305393735864576,0.43198718388047425,0.7864008635460216,0.8180727845932424,0.594878692344596
EOS-2-43454,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cn6)c(F)c5)n34)cn2)nn1,MMHIXVMFFSHQCS-UHFFFAOYSA-N,2,1,0.321,32,572,494.921,5.473,6,0.32,0.68,1.0,0.3259800561990268,0.4939003495305325,0.7727023507641697,0.8030378315399904,0.5989051470084299
EOS-2-43455,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,OTAJWXRGOKXWGI-UHFFFAOYSA-N,2,1,0.553,12,427,494.942,6.049,6,0.278,0.74,1.0,0.8033548077582071,0.7959872524158728,0.6713727640326228,0.6996264820779933,0.742585326571174
EOS-2-43456,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5cccc(-c6nnco6)c5)c4)n23)ccc1Cl,WNHFWBYNGNKLBM-UHFFFAOYSA-N,2,1,0.517,12,994,494.942,6.049,6,0.278,0.72,1.0,0.8190665478719759,0.8830871770269344,0.8662017682132822,0.8560413953807141,0.8560992221232266
EOS-2-43457,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(-n6cccn6)cc5)n34)c2)nn1,TZCTZBXFFFUGKN-UHFFFAOYSA-N,2,1,0.558,77,613,494.946,4.709,6,0.317,0.8,1.0,0.6485333424713865,0.6591391953944212,0.622421355630183,0.6216417654718662,0.6379339147419643
EOS-2-43458,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cn(-c6ccccc6)nn5)n34)c2)cc1,LMVWAZVVSNHTFW-UHFFFAOYSA-N,2,1,0.439,77,177,494.946,4.709,6,0.317,0.8,0.981,0.3209084367075595,0.3661332328147488,0.44911246658899323,0.5665050373517923,0.42566479336577345
EOS-2-43459,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)cc5)nc4)n23)cc1,RFOMKXGWUVADMA-UHFFFAOYSA-N,2,1,0.585,77,755,494.946,4.881,6,0.325,0.76,1.0,0.8059848536769242,0.6983500102803097,0.6521228839695703,0.6590792269207045,0.7038842437118772
EOS-2-43460,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(-c6ccccc6)c5)n34)nn2)n1,HWHISIPNWUTCNA-UHFFFAOYSA-N,2,1,0.489,77,177,494.946,4.881,6,0.325,0.66,0.984,0.4861901171955315,0.7265094921526969,0.5760828592968268,0.6187118771845658,0.6018735864574053
EOS-2-43461,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5ccc(Cl)nn5)n34)cc2)n1,SNGXVSQZHHPUTQ-UHFFFAOYSA-N,2,1,0.489,77,323,494.946,4.881,6,0.325,0.66,1.0,0.7367726680830649,0.6885494482900418,0.6433246521828524,0.6216503323966829,0.6725742752381605
EOS-2-43462,COc1cc(-c2ncccn2)ccc1-c1cncc2nnc(-c3ccc(-c4cnn(C)c4)cc3Cl)n12,VFGCENBRWNYFOI-UHFFFAOYSA-N,2,1,0.324,42,867,494.946,4.978,6,0.333,0.71,1.0,0.2359502433006648,0.35172366527311355,0.7137105064765952,0.6507350421492701,0.4880298642999109
EOS-2-43463,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)c1,XDXVYGABPRRVLW-UHFFFAOYSA-N,2,1,0.62,12,492,494.946,4.881,6,0.325,0.75,1.0,0.7606144198478514,0.7751610581865533,0.6404033308203687,0.7079706668494278,0.7210373689260503
EOS-2-43464,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnccc5-c5ccncc5Cl)n34)cc2)cn1,SXTNQUASGKSXSL-UHFFFAOYSA-N,2,1,0.5,40,78,494.946,4.881,6,0.325,0.58,1.0,0.6454578164622027,0.5924114179973956,0.7881656500582551,0.7556027688301008,0.6954094133369886
EOS-2-43465,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)n5C)n34)nc2)cc1,XRFCJBRTFMSCNY-UHFFFAOYSA-N,2,1,0.365,3,474,494.946,4.978,6,0.333,0.84,1.0,0.16380816941950518,0.4629223493934617,0.4770749091905969,0.5568415461585909,0.4151617435405387
EOS-2-43466,Cc1ncc(-c2cnc(Oc3cncc4nnc(-c5cccnc5-c5ccccc5)n34)c(Cl)c2)n1C,OMEJPSAVXJDFKS-UHFFFAOYSA-N,2,1,0.354,41,797,494.946,5.403,6,0.316,0.65,0.999,0.4960506476595161,0.4891971078061819,0.4563429511342608,0.45045747378521006,0.4730120450962922
EOS-2-43467,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5-c5ccccc5)n34)nc2)cn1,AVMSPKKDBIIYQX-UHFFFAOYSA-N,2,1,0.478,77,363,494.946,4.881,6,0.304,0.69,1.0,0.47106092796929616,0.5773593310945103,0.5916917963127956,0.5853437050236447,0.5563639401000617
EOS-2-43468,CC(O)(c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)c4)n23)cc1)c1cccc(Cl)c1,RZEMRPFKESJEBP-UHFFFAOYSA-N,2,1,0.319,83,3,494.946,4.548,6,0.361,0.68,1.0,0.32598862312384347,0.44508601192515934,0.935011308340758,0.9192053320540059,0.6563228188609417
EOS-2-43469,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(-c6ccncn6)cc5)n34)ccc2Cl)n1,RTMNNISEHXNOOA-UHFFFAOYSA-N,2,1,0.534,77,177,494.946,4.881,6,0.325,0.68,1.0,0.7750839558632033,0.7880714138852717,0.7495459529847166,0.7188506613665958,0.7578879960249469
EOS-2-43470,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)cc2)cn1,MEXUNYDATKPQIM-UHFFFAOYSA-N,2,1,0.518,77,190,494.946,4.881,6,0.325,0.72,1.0,0.6426307312727023,0.6251627715715167,0.7396597217462819,0.6996350490028099,0.6767720683983277
EOS-2-43471,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nc(C)nn6C)c(Cl)c5)n34)cc2)cn1,MTTGLXMTSLQWSJ-UHFFFAOYSA-N,2,1,0.301,42,725,494.95,4.376,6,0.355,0.62,1.0,0.15028956205880337,0.23060448221506408,0.19388664245082585,0.23002193132753068,0.201200654513056
EOS-2-43472,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cn(C)c(=O)cn1,NQOOHDDCHFXDRV-UHFFFAOYSA-N,2,1,0.49,15,771,494.964,3.897,5,0.338,0.69,1.0,0.6030601055445137,0.5826365567815777,0.4385408813652251,0.3715046946747995,0.498935559591529
EOS-2-43473,COCCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)s1,AZROBBBGMTYRLQ-UHFFFAOYSA-N,2,1,0.455,58,954,494.968,3.564,5,0.284,0.67,1.0,0.4710694948941128,0.5924199849222124,0.050664793365773425,0.08232814748817764,0.29912060516756905
EOS-2-43474,Cn1cc(C#N)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc(Cl)cs6)cc5)n34)cc2)n1,ZNKLHJPPVLXGGL-UHFFFAOYSA-N,2,1,0.38,9,98,494.971,5.507,6,0.32,0.71,1.0,0.18042800356384073,0.3517322321979302,0.6848485367692413,0.7109605236104448,0.4819923240353643
EOS-2-43475,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)cc5)n34)cc2)cc1,ALWLXJPTXYKTRK-UHFFFAOYSA-N,2,1,0.681,12,492,495.007,7.419,6,0.242,0.81,1.0,0.9505431430333767,0.9194537728736892,0.95030326913851,0.9589901309026112,0.9448225789870468
EOS-2-43476,Cc1cc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)ccc1Cl,HJLTXFJLCCXOQY-UHFFFAOYSA-N,2,1,0.361,9,340,404.886,4.939,5,0.426,0.82,1.0,0.15566959084367077,0.3806456034541841,0.7703036118155027,0.8279932835309437,0.5336530224110753
EOS-2-43477,Cc1cc(-c2nnc3cncc(-c4csc(-c5ccc(Cl)cc5)n4)n23)ccn1,HEIKOFGEHUFZRQ-UHFFFAOYSA-N,2,1,0.378,96,140,404.886,4.939,5,0.426,0.79,1.0,0.18896922760605853,0.40899355767253787,0.5760914262216434,0.6622318552532382,0.45907151668836954
EOS-2-43478,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(Cl)c(F)c5)n34)cc2)n[nH]1,GGUDYUPDDGBDHU-UHFFFAOYSA-N,2,1,0.351,96,558,404.836,4.949,5,0.462,0.75,1.0,0.36833493249263244,0.5720307038585429,0.9139880748406553,0.9296141457062573,0.695991964224522
EOS-2-43479,Cn1nc(-c2nnc3cncc(-c4ccc(F)cc4)n23)cc1-c1ccc(Cl)cc1,ALNYJDZYSZPATN-UHFFFAOYSA-N,2,1,0.388,45,533,404.836,4.651,5,0.439,0.85,1.0,0.13891268590226852,0.3850918374340347,0.8299551093139607,0.9047529298882873,0.5646781406346377
EOS-2-43480,Cn1ncc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c1-c1ccccc1,ZRJIXMFMRDDCEW-UHFFFAOYSA-N,2,1,0.417,45,558,404.836,4.651,5,0.439,0.73,1.0,0.24683023781783292,0.43659618943184153,0.8429768350352957,0.8988074840655198,0.6063026865876224
EOS-2-43481,Cn1ncc(-c2cncc3nnc(-c4ccccc4Cl)n23)c1-c1ccc(F)cc1,SPMSMIIYMGGGOZ-UHFFFAOYSA-N,2,1,0.449,45,46,404.836,4.651,5,0.439,0.78,1.0,0.13364402714001783,0.4495408128298266,0.8316513604276609,0.9034593242409704,0.5795738811596189
EOS-2-43482,Cn1ncc(-c2nnc3cncc(-c4cccc(F)c4)n23)c1-c1ccc(Cl)cc1,MHPPZAGLMSBZNE-UHFFFAOYSA-N,2,1,0.423,45,46,404.836,4.651,5,0.439,0.75,1.0,0.1971677746556096,0.41386813789322185,0.8224761839490097,0.9047614968131039,0.5845683983277363
EOS-2-43483,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5nnnn5C)n34)c(Cl)c2)n1,YFSVMGXJOLFZEC-UHFFFAOYSA-N,2,1,0.321,50,728,404.825,2.401,5,0.45,0.78,1.0,0.16381673634432184,0.2715458159139195,0.07245905009937632,0.13945240216571858,0.16181850113083407
EOS-2-43484,Cc1nc(Cl)ncc1-c1cncc2nnc(-c3ccc(-c4nnn(C)n4)cc3)n12,MOMVNLQJKQNNDJ-UHFFFAOYSA-N,2,1,0.325,61,447,404.825,2.401,5,0.421,0.73,1.0,0.18043657048865738,0.2664484956480022,0.10282879857446371,0.12835823452813377,0.16951802480981426
EOS-2-43485,Clc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccccn5)n4)n23)cc1,RNPKMPKFJKREPQ-UHFFFAOYSA-N,2,1,0.548,4,32,404.821,2.999,5,0.444,0.8,1.0,0.4836114728257145,0.6545987252415872,0.2360787471729148,0.33912171886779524,0.42835266602700295
EOS-2-43486,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cn1,CCIPVAFPTXFGPG-UHFFFAOYSA-N,2,1,0.514,72,706,404.821,3.428,5,0.452,0.8,1.0,0.5548711534507573,0.7539493523404839,0.47708347611541363,0.49666746624631625,0.5706428620382428
EOS-2-43487,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,FPOIMFQOUWQELC-UHFFFAOYSA-N,2,1,0.556,47,992,404.821,3.204,5,0.448,0.71,1.0,0.8459409910218628,0.6639795079158385,0.5392193818107053,0.5303354807758207,0.6448688403810567
EOS-2-43488,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5cccc(Cl)c5)n34)nn2)cn1,VSXZBNWYEOUSLL-UHFFFAOYSA-N,2,1,0.477,72,706,404.821,3.428,5,0.452,0.78,1.0,0.41080974573367146,0.5534147762319238,0.45291618120759375,0.47832568021383043,0.4738665958467549
EOS-2-43489,Cn1ncc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)c(Cl)c4)n23)n1,HZPOFVDMDSPYRZ-UHFFFAOYSA-N,2,1,0.429,13,412,404.821,3.428,5,0.452,0.73,1.0,0.4686279213213625,0.4939089164553492,0.4770920430402303,0.509929065862518,0.487389486669865
EOS-2-43490,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)nc1,VZBRRMKRMMWRTC-UHFFFAOYSA-N,2,1,0.548,4,22,404.821,3.204,5,0.479,0.7,1.0,0.5630954012747584,0.629823178671784,0.5392279487355219,0.5665136042766089,0.5746650332396683
EOS-2-43491,Clc1ccc(-c2nnc3cncc(OCc4nnn(-c5ccccc5)n4)n23)cc1,TXHQUYCUXJNKQB-UHFFFAOYSA-N,2,1,0.57,43,288,404.821,2.999,5,0.444,0.78,1.0,0.5036837776711671,0.7218490850524296,0.1870845041463916,0.33280789527791105,0.43635631553697485
EOS-2-43492,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)c4)n23)cc1,FAYVZFSNJLQUQN-UHFFFAOYSA-N,2,1,0.658,43,499,404.821,3.204,5,0.479,0.83,1.0,0.9113237612226716,0.9118206428620382,0.5592574189568912,0.6273387704749503,0.7524351483791378
EOS-2-43493,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,GHBMUMGQPTVJJX-UHFFFAOYSA-N,2,1,0.514,72,706,404.821,3.428,5,0.452,0.77,1.0,0.642639298197519,0.77516962511137,0.3983791378246864,0.44098245493797544,0.5642926290178877
EOS-2-43494,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)nn4)n23)cc1,PERIKXXMOSWGDX-UHFFFAOYSA-N,2,1,0.562,4,32,404.821,2.999,5,0.444,0.74,1.0,0.5524895483517237,0.7173685833733123,0.41971934754300594,0.472483037488863,0.5405151291892262
EOS-2-43495,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)nc1,ODXHMPPTUIPLEP-UHFFFAOYSA-N,2,1,0.494,4,786,404.821,3.204,5,0.479,0.68,1.0,0.5447022136933726,0.6737715029812898,0.4456085943389761,0.4662463162223288,0.5325821568089918
EOS-2-43496,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cc2)n1,YMLFRXZPVDEAQI-UHFFFAOYSA-N,2,1,0.718,67,941,404.821,3.428,5,0.452,0.8,1.0,0.40398190665478717,0.6015865944760469,0.3722585840586663,0.4630936878897951,0.46023019326982384
EOS-2-43497,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)cn1,KLPDITDRCSFQNJ-UHFFFAOYSA-N,2,1,0.549,72,992,404.821,3.204,5,0.448,0.66,1.0,0.7459478445617161,0.6207251045164828,0.5980398876019464,0.6004300596257968,0.6412857240764855
EOS-2-43498,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc1,HNXRKLTXYYIAFH-UHFFFAOYSA-N,2,1,0.476,16,19,404.821,3.204,5,0.479,0.71,1.0,0.7637327804811185,0.7032502912754438,0.3909087793845521,0.4284833116304571,0.5715937906928928
EOS-2-43499,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nn1,QPSYDIBLRGBGHU-UHFFFAOYSA-N,2,1,0.478,72,208,404.821,3.204,5,0.479,0.65,1.0,0.6763758481255568,0.7265180590775135,0.43854944829004183,0.47249160441367966,0.578483739976698
EOS-2-43500,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)nn2)cn1,NMOJSZNOXZPPAZ-UHFFFAOYSA-N,2,1,0.538,54,251,404.821,3.428,5,0.452,0.76,1.0,0.30808375025700774,0.43199575080529096,0.41218902062915497,0.48466520457816464,0.40923343156740455
EOS-2-43501,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,VROZGGLETBYRDS-UHFFFAOYSA-N,2,1,0.541,47,109,404.821,3.204,5,0.479,0.72,1.0,0.694169350969776,0.7581557124254678,0.4703327393598794,0.5233020355013365,0.611489959564115
EOS-2-43502,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1,GSKGLQMNRNUAQE-UHFFFAOYSA-N,2,1,0.568,47,22,404.821,3.204,5,0.479,0.72,1.0,0.6730690151463231,0.6689226235350558,0.4807415530121308,0.4934548694400658,0.579047015283394
EOS-2-43503,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,DGKVAKCJEXJPIN-UHFFFAOYSA-N,2,1,0.543,47,19,404.821,3.204,5,0.479,0.71,1.0,0.8293554245767939,0.6835377972722911,0.532365841957371,0.5468610787471729,0.6480300356384072
EOS-2-43504,Clc1ccccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)nn3)n12,XNEJEWYTZGJIKW-UHFFFAOYSA-N,2,1,0.53,4,820,404.821,2.999,5,0.444,0.78,1.0,0.3360718936330615,0.5166369679939689,0.29429100130217256,0.38732780481118495,0.38358191693509697
EOS-2-43505,Clc1ccc(COc2cncc3nnc(-c4cc(-c5cn[nH]c5)ccn4)n23)cn1,QTQTZPXCQFYABR-UHFFFAOYSA-N,2,1,0.404,46,160,404.821,3.204,5,0.448,0.69,1.0,0.5447107806181893,0.4892056747309986,0.5693406894661093,0.5758686861764101,0.5447814577479269
EOS-2-43506,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnco5)n4)n23)cc1,KZQIPGSYCCXCSS-UHFFFAOYSA-N,2,1,0.588,97,436,404.817,4.074,5,0.436,0.77,1.0,0.7949677883626893,0.8963573435679528,0.6165701459803988,0.6420567473099856,0.7374880063052567
EOS-2-43507,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)o2)cc1,BYPSUWCZJUJBBG-UHFFFAOYSA-N,2,1,0.447,46,401,404.817,4.074,5,0.436,0.78,1.0,0.5011137002261669,0.4629309163182784,0.6104961962853814,0.6563206771297375,0.557715372489891
EOS-2-43508,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cocn5)c4)n23)cc1,QLCTYLLGCOJFOI-UHFFFAOYSA-N,2,1,0.671,24,805,404.817,4.074,5,0.436,0.79,1.0,0.9262901788773902,0.9250736755534233,0.6823127270235076,0.6996436159276266,0.8083300493454869
EOS-2-43509,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cc1,LYJAGSMZVCCJIR-UHFFFAOYSA-N,2,1,0.714,43,909,404.817,4.074,5,0.436,0.83,1.0,0.945454389692276,0.9532502912754438,0.7242735247755465,0.7429665547255158,0.8414861901171956
EOS-2-43510,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccoc5)n4)n23)cc1,UBDBPPVXCYTUBE-UHFFFAOYSA-N,2,1,0.57,4,401,404.817,4.074,5,0.436,0.79,1.0,0.7692927146871359,0.883095743951751,0.6133746830237817,0.6649390034953053,0.7326755362894936
EOS-2-43511,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccccc3Cl)n12,XYBSZMFZSURMDY-UHFFFAOYSA-N,2,1,0.413,96,697,404.817,4.17,5,0.444,0.8,1.0,0.5242272633815366,0.5877167431978617,0.6713813309574396,0.6767956274415736,0.6150302412446028
EOS-2-43512,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccoc5)nc4)n23)cc1,UGOLUBSCAULAET-UHFFFAOYSA-N,2,1,0.667,16,539,404.817,4.074,5,0.436,0.74,1.0,0.9534130628469605,0.9213556301829895,0.6105047632101981,0.6420653142348023,0.7818346926187376
EOS-2-43513,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccoc5)cc4)n23)cn1,ALHGKSIFSBOIEE-UHFFFAOYSA-N,2,1,0.519,97,815,404.817,4.074,5,0.436,0.74,1.0,0.657520046604071,0.6737800699061065,0.6404118977451854,0.662240422178055,0.6584881091083545
EOS-2-43514,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cn1,CTMUJFUXZWCYEH-UHFFFAOYSA-N,2,1,0.584,97,91,404.817,4.074,5,0.407,0.77,1.0,0.895526351860736,0.7218576519772463,0.742366869988349,0.7215321088342129,0.7703207456651361
EOS-2-43515,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)o1,BVTAIQGJWVTVRH-UHFFFAOYSA-N,2,1,0.507,34,706,404.817,4.595,5,0.432,0.75,1.0,0.8529744362963471,0.8831043108765677,0.6165787129052156,0.6245031183606332,0.7442901446096908
EOS-2-43516,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnco5)nc4)n23)cc1,AJILUGRMYVMWPG-UHFFFAOYSA-N,2,1,0.662,97,232,404.817,4.074,5,0.436,0.82,1.0,0.9479901994380098,0.9030652456994037,0.6985384826262765,0.704972243163594,0.813641542731821
EOS-2-43517,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)ccn1,XAVJWCZBJCOMHF-UHFFFAOYSA-N,2,1,0.538,97,666,404.817,4.074,5,0.407,0.75,1.0,0.8484168322938798,0.7710489342745528,0.7268350352957302,0.7161349461997122,0.7656089370159688
EOS-2-43518,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,QDCGNCCRILEVLU-UHFFFAOYSA-N,2,1,0.653,43,909,404.817,4.074,5,0.436,0.83,1.0,0.9183743403467891,0.8752398738948667,0.7085018161880612,0.7294136796655473,0.8078824275238161
EOS-2-43519,Clc1ccccc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,QSKJJCTYHXBNDV-UHFFFAOYSA-N,2,1,0.577,43,909,404.817,4.074,5,0.436,0.85,1.0,0.8955349187855527,0.8780498252347337,0.7111489959564115,0.735042149270098,0.804943972311699
EOS-2-43520,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)c4)n23)cc1,IJRPJJDQGZHWNV-UHFFFAOYSA-N,2,1,0.667,43,909,404.817,4.074,5,0.436,0.77,1.0,0.930265231992324,0.9489496950174765,0.7036015351929271,0.732309300253581,0.8287814406140772
EOS-2-43521,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccon5)c4)n23)cc1,KJGQJZUOBIHKFT-UHFFFAOYSA-N,2,1,0.615,97,232,404.817,4.074,5,0.436,0.82,1.0,0.8846634911932013,0.8516893975738469,0.7191162360359126,0.7429751216503324,0.7996110616133233
EOS-2-43522,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)nc1,FFEJRFVFQDDWKM-UHFFFAOYSA-N,2,1,0.5,97,19,404.817,4.074,5,0.436,0.81,1.0,0.8317541635254609,0.7405763827016654,0.5323744088821877,0.5728616955657597,0.6693916626687684
EOS-2-43523,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)o4)n23)cc1,IPMHFNBTSKHGRO-UHFFFAOYSA-N,2,1,0.612,97,850,404.817,4.074,5,0.436,0.84,1.0,0.8367058460694949,0.9006236721266534,0.5085669248166678,0.5696662326091426,0.7038906689054896
EOS-2-43524,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccccc5)o4)n23)cc1,HASQYDNXZNTBOU-UHFFFAOYSA-N,2,1,0.582,1,372,404.817,4.074,5,0.436,0.85,1.0,0.8006819272154068,0.9300167911726407,0.4272411075320403,0.5402388458638887,0.6745446679459941
EOS-2-43525,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)o4)n23)cc1,NROFLOIHOMBLDZ-UHFFFAOYSA-N,2,1,0.568,4,539,404.817,4.074,5,0.436,0.83,1.0,0.9142879172092385,0.9404941402234254,0.5693492563909259,0.6004386265506134,0.7561424850935508
EOS-2-43526,Fc1cc(-c2nnc3cncc(-c4cnc(-c5cncnc5)nc4)n23)ccc1Cl,FBRAPOLVUPNEMO-UHFFFAOYSA-N,2,1,0.372,82,575,404.796,3.498,5,0.454,0.77,1.0,0.4334349941744911,0.6786546501267905,0.7111575628812281,0.7782965526694537,0.6503859399629909
EOS-2-43527,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nn1,NPLLQTIXIVZIET-UHFFFAOYSA-N,2,1,0.478,22,844,404.796,3.498,5,0.454,0.81,0.999,0.37530840929340004,0.6349633335617847,0.5323829758070043,0.664947570420122,0.5519005722705778
EOS-2-43528,Fc1cc(-c2nnc3cncc(-c4cnc(-c5ncccn5)nc4)n23)ccc1Cl,NSUVPGAYBCSPIQ-UHFFFAOYSA-N,2,1,0.39,73,261,404.796,3.498,5,0.454,0.79,1.0,0.4084538414090878,0.6737886368309232,0.5693578233157426,0.6679288602563224,0.579882290453019
EOS-2-43529,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(Cl)nc5)n34)cc2)cn1,RNFBTFZVNFGQRC-UHFFFAOYSA-N,2,1,0.348,82,478,404.796,3.498,5,0.425,0.79,1.0,0.3080923171818244,0.48921424165581523,0.640420464670002,0.6968079638133096,0.5336337468302378
EOS-2-43530,Fc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)ccn2)nc1,MNCSXGZMOURTRY-UHFFFAOYSA-N,2,1,0.333,50,261,404.796,3.498,5,0.425,0.68,1.0,0.34781714755671306,0.49391748338016583,0.5561990267973408,0.6449695017476527,0.510725789870468
EOS-2-43531,Fc1ccc(Cl)cc1-c1nnc2cncc(-c3cnc(-c4cnccn4)nc3)n12,DZEGKTSAGMLMPY-UHFFFAOYSA-N,2,1,0.356,50,575,404.796,3.498,5,0.454,0.8,1.0,0.3161109588102255,0.4892228085806319,0.6046107189363306,0.7079792337742444,0.5294809300253581
EOS-2-43532,Fc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(Cl)nc5)n34)nc2)ccn1,HWDFSWRAHUASNI-UHFFFAOYSA-N,2,1,0.329,50,434,404.796,3.498,5,0.335,0.77,1.0,0.2679305736412857,0.48046741141799737,0.6632513193064218,0.7188592282914125,0.5326271331642793
EOS-2-43533,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1Cl,VJOLQMXQDOHXHX-UHFFFAOYSA-N,2,1,0.364,22,844,404.796,3.498,5,0.454,0.77,1.0,0.3868737577959016,0.511942293194435,0.747241450209033,0.8163079980810088,0.6155913748200945
EOS-2-43534,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nn1,KWMAKSQVTDOKOP-UHFFFAOYSA-N,2,1,0.477,22,844,404.796,3.498,5,0.454,0.79,1.0,0.3753169762182167,0.6639880748406553,0.5821482420670276,0.7049808100884106,0.5816085258035776
EOS-2-43535,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cncnc5)n34)cn2)nc1Cl,ABUYPNCYEHJDQF-UHFFFAOYSA-N,2,1,0.333,50,478,404.796,3.498,5,0.425,0.71,0.996,0.33608046055787816,0.4713864711123295,0.6769326982386402,0.7323178671783976,0.5541793742718114
EOS-2-43536,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cnc(-c4cccnc4)nn3)n12,WIUMMQFJNFJEPS-UHFFFAOYSA-N,2,1,0.388,22,844,404.796,3.498,5,0.454,0.69,1.0,0.31611952573504215,0.6064354739222808,0.5693663902405592,0.7136077033787952,0.5513822733191693
EOS-2-43538,Cc1ccc(-c2nnc3cncc(-c4cc(OC(F)(F)F)ccc4Cl)n23)cc1,QVXSWIARDQLPFF-UHFFFAOYSA-N,2,1,0.467,48,444,404.779,5.319,4,0.464,0.88,1.0,0.7218148173531629,0.9391062984031252,0.9968987732163662,0.9966246316222329,0.9136111301487219
EOS-2-43539,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,FGPYHHURZLGJMV-UHFFFAOYSA-N,2,1,0.769,48,17,404.779,5.043,4,0.478,0.91,1.0,0.9958878760879994,0.9934805702145157,0.9979439380439997,0.9976869302994997,0.9962498286615036
EOS-2-43543,Fc1ccc(F)c(CCOc2cncc3nnc(-c4c(F)cccc4Cl)n23)c1,SUVLXZRSWHICQT-UHFFFAOYSA-N,2,1,0.635,23,370,404.779,4.484,4,0.492,0.79,1.0,0.9607891851141115,0.9744020286477966,0.9733482968953464,0.9844510314577479,0.9732476355287506
EOS-2-43544,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cccc(OCC(F)F)c3)n12,IZMVSGGPVPXCDT-UHFFFAOYSA-N,2,1,0.448,23,254,404.779,4.895,4,0.475,0.83,1.0,0.760622986772668,0.947878829415393,0.987826399835515,0.9908333904461655,0.9217904016174354
EOS-2-43545,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccccc4Cl)n23)cc1,WVFWLSNGFGZOFO-UHFFFAOYSA-N,2,1,0.639,48,17,404.779,5.043,4,0.478,0.87,1.0,0.9965732300733329,0.9898053594681653,0.9975327256527997,0.9975584264272497,0.9953674354053869
EOS-2-43549,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1,APWCIKAQPOOQLP-UHFFFAOYSA-N,2,1,0.806,23,86,404.779,4.484,4,0.492,0.76,1.0,0.9965817969981495,0.9976697964498663,0.9821636625316976,0.9887858954149819,0.9913002878486737
EOS-2-43551,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4)n23)cc1,XNUCSFGEMYVHRA-UHFFFAOYSA-N,2,1,0.776,48,240,404.779,5.043,4,0.478,0.9,1.0,0.9969416078404496,0.9870982112260983,0.9979525049688164,0.9976954972243164,0.9949219553149202
EOS-2-43554,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,XELIWNCNKMLYEW-UHFFFAOYSA-N,2,1,0.797,23,370,404.779,4.484,4,0.492,0.78,1.0,0.9991518744431499,0.9993146460146666,0.9765951614008636,0.9849307792474813,0.9899981152765402
EOS-2-43555,Fc1cccc(CCOc2cncc3nnc(-c4c(F)cccc4Cl)n23)c1F,LZZYWZWQDJUEME-UHFFFAOYSA-N,2,1,0.658,23,906,404.779,4.484,4,0.492,0.78,1.0,0.9633164279350285,0.9758841066410802,0.9743249263244466,0.9839627167431979,0.9743720444109383
EOS-2-43557,Fc1cccc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)c1F,CSCSWBBXZHWGJB-UHFFFAOYSA-N,2,1,0.64,23,86,404.779,4.484,4,0.492,0.81,1.0,0.9794393804399972,0.9861558494962648,0.980167569049414,0.9866355972859983,0.9830995990679186
EOS-2-43559,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1,KFCYQXBWUXWMHP-UHFFFAOYSA-N,2,1,0.726,36,305,404.764,3.415,4,0.486,0.79,1.0,0.8317627304502776,0.9030738126242204,0.8633061476252485,0.8510982797614968,0.8623102426153109
EOS-2-43560,COc1cnc(COc2cncc3nnc(-c4cc(F)c(Cl)c(F)c4)n23)cn1,OJTRRYSYLHFWIV-UHFFFAOYSA-N,2,1,0.608,90,255,404.764,3.101,4,0.472,0.73,1.0,0.8163508327050922,0.9118292097868549,0.8092231512576246,0.7583527516962512,0.8239389863614557
EOS-2-43561,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Br)cc5F)n34)c2)nn1,NSRLUSYWHIFCRN-UHFFFAOYSA-N,2,1,0.529,43,613,495.287,4.868,5,0.347,0.7,1.0,0.8748971969022,0.90063223905147,0.9084110067850044,0.9047700637379207,0.8971776266191489
EOS-2-43562,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cc5F)n34)cn2)cn1,AIHRRMGUUJUNIA-UHFFFAOYSA-N,2,1,0.512,59,109,495.287,4.868,5,0.324,0.77,1.0,0.8749057638270167,0.9118377767116715,0.9217068741004729,0.9116064697416215,0.9050142210951957
EOS-2-43563,Fc1cc(F)cc(-c2cncc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)n2)c1,WJCYCNLSDFZMDF-UHFFFAOYSA-N,2,1,0.568,34,929,495.287,4.868,5,0.347,0.77,1.0,0.8572664656294976,0.9158470975258721,0.8795490370776506,0.894652525529436,0.8868287814406142
EOS-2-43564,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Br)nc5)n34)nc2F)cn1,WOGKFRDNVYYEKS-UHFFFAOYSA-N,2,1,0.456,18,773,495.316,3.505,5,0.333,0.67,1.0,0.5659139195394421,0.5031611952573504,0.4910047289424988,0.43489993831814133,0.49874494551435816
EOS-2-43565,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Br)c4)n23)cc1F,ZUZXMFWYEZMOLO-UHFFFAOYSA-N,2,1,0.588,37,626,495.316,3.505,5,0.333,0.66,1.0,0.8749143307518333,0.8312744157357275,0.4736909738880132,0.4600095949557947,0.6599723288328422
EOS-2-43566,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)c(Cl)cc1=O,JXSZCIFZGYBDRU-UHFFFAOYSA-N,2,1,0.455,58,954,495.33,3.27,5,0.33,0.63,0.995,0.544719347543006,0.534995887876088,0.2575217599890343,0.365045233363032,0.4255705571927901
EOS-2-43567,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cnc(Cl)nc1,HNUVPVUMZGBLAQ-UHFFFAOYSA-N,2,1,0.439,49,501,495.33,3.975,5,0.31,0.63,0.417,0.7249588787608799,0.6443526831608526,0.4121975875539716,0.39980981426907,0.5453297409361935
EOS-2-43568,Cn1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc(-c2cnc(Cl)nc2)c1=O,HKQLQKYLFKKJJF-UHFFFAOYSA-N,2,1,0.469,65,349,495.33,3.27,5,0.33,0.66,1.0,0.48114419847851414,0.32737646494414363,0.48075011993694744,0.5338564868754712,0.4557818175587691
EOS-2-43569,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccnc(Cl)n1,PLPGUNZWFHRGOC-UHFFFAOYSA-N,2,1,0.414,49,501,495.33,3.975,5,0.31,0.59,0.764,0.7519532588582003,0.6251713384963333,0.3946353916798026,0.3937272976492358,0.541371821670893
EOS-2-43570,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)n4)n23)ccc1-c1ccccn1,WSJXXIJQWIROIV-UHFFFAOYSA-N,2,1,0.433,49,501,495.33,3.975,5,0.244,0.58,0.996,0.7032931258995271,0.6207336714412994,0.2541549585360839,0.2740816256596532,0.4630658453841409
EOS-2-43571,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccc(Cl)nn1,SEQPMENGHMVCLR-UHFFFAOYSA-N,2,1,0.423,49,501,495.33,3.975,5,0.331,0.64,0.964,0.7429922554999657,0.6112415187444314,0.39464395860461926,0.4188455212117059,0.5419308135151806
EOS-2-43572,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)nc(Cl)c5)n34)cn(C)c2=O)cn1,ACCUKEYLYWLYLZ-UHFFFAOYSA-N,2,1,0.433,55,565,495.33,3.536,5,0.341,0.69,1.0,0.44756185319717634,0.3128041258309917,0.5257950106229867,0.5264889315331369,0.4531624802960729
EOS-2-43573,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)ccc1Oc1ccccc1,LRJHXRNQNVHFFJ-UHFFFAOYSA-N,2,1,0.75,79,590,495.341,6.651,5,0.253,0.82,1.0,0.9859159756013981,0.9947570420121993,0.9701442670139127,0.9754471934754301,0.981566119525735
EOS-2-43574,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Oc1cccc(Cl)c1,FCRVUZCJNYJLQM-UHFFFAOYSA-N,2,1,0.714,79,590,495.341,6.651,5,0.253,0.78,1.0,0.9925039407854157,0.9989462682475498,0.9707439517510794,0.9796192858611473,0.985453361661298
EOS-2-43575,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5Cl)n34)cc2)cc1,UTWMNNZIEJDMTO-UHFFFAOYSA-N,2,1,0.628,79,590,495.341,6.651,5,0.253,0.8,1.0,0.9874237543691317,0.9931892947707491,0.9718490850524296,0.980296072921664,0.9831895517784935
EOS-2-43576,Fc1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cc1Cl,OOBKYBQKGFPZOC-UHFFFAOYSA-N,2,1,0.753,79,590,495.341,6.651,5,0.253,0.81,1.0,0.9977983003221164,0.9991518744431499,0.97511308340758,0.9815468439448976,0.988402525529436
EOS-2-43577,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)ccc2F)cn1,NHRZMTGLQJWHKK-UHFFFAOYSA-N,2,1,0.578,88,749,495.345,5.624,5,0.304,0.72,1.0,0.9752929888287301,0.9820437255842642,0.9139966417654719,0.9285347131793571,0.9499670173394559
EOS-2-43578,COc1cc(-c2nnc3cncc(OCc4cc(Br)cs4)n23)ccc1-c1cccnn1,YOPOZKUOOKWQCG-UHFFFAOYSA-N,2,1,0.511,72,224,495.362,4.66,5,0.339,0.69,1.0,0.7547632101980672,0.7265266260023302,0.559265985881708,0.45682269892399424,0.6243446302515249
EOS-2-43579,COc1cc(-c2nnc3cncc(OCc4csc(Br)c4)n23)ccc1-c1cnccn1,HBUSBLYHEICDBV-UHFFFAOYSA-N,2,1,0.488,16,591,495.362,4.66,5,0.339,0.67,1.0,0.7920121993009389,0.6835463641971078,0.6105133301350147,0.4783342471386471,0.6411015351929271
EOS-2-43580,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1-c1cn(C)cn1,WEYNHJJEURJUTQ-UHFFFAOYSA-N,2,1,0.678,91,313,495.37,5.129,5,0.312,0.74,1.0,0.8413833870193955,0.7218662189020629,0.8543023096429305,0.8095572613254746,0.8067772942224659
EOS-2-43581,Clc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,JIOBDLILVQPBFZ-UHFFFAOYSA-N,2,1,0.359,69,695,495.373,6.889,6,0.249,0.75,1.0,0.3569323555616476,0.5166455349187855,0.8891354259475018,0.9402028647796586,0.6757290453018984
EOS-2-43582,Clc1cccc(Cl)c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,HXTBCUOTKRACFX-UHFFFAOYSA-N,2,1,0.347,69,479,495.373,6.889,6,0.266,0.73,1.0,0.27571790829963677,0.4582962099924611,0.9261102734562402,0.9553149201562607,0.6538598279761496
EOS-2-43583,Clc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)ccn2)c(Cl)cn1,DXNQCNKLTRXXLK-UHFFFAOYSA-N,2,1,0.364,93,107,495.373,6.889,6,0.249,0.77,1.0,0.37769858131725037,0.44954937975464326,0.9334863957233911,0.9589986978274279,0.6799332636556781
EOS-2-43584,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c(Cl)n2)c(C)n1,IJLHKBVKNIZROV-UHFFFAOYSA-N,2,1,0.5,58,271,495.374,4.701,5,0.302,0.6,1.0,0.45692550202179427,0.4583047769172778,0.33830786101021176,0.3781183606332671,0.40791412514563774
EOS-2-43585,CCc1ccc(COc2cncc3nnc(-c4ccc(-c5nncn5CC)c(Cl)c4)n23)c(Cl)n1,WSGITVOKLVEMLJ-UHFFFAOYSA-N,2,1,0.473,36,908,495.374,4.913,5,0.296,0.68,1.0,0.5714738537454596,0.5826451237063943,0.4160698375711055,0.46310225481461176,0.5083227674593928
EOS-2-43586,COc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)nc2OC)ccc1F,IIBRIDGYFAKINV-UHFFFAOYSA-N,2,1,0.396,49,501,495.421,3.657,5,0.334,0.48,0.981,0.7808323624151875,0.6298317455966006,0.6795798780069906,0.5168768418888355,0.6517802069769035
EOS-2-43587,COc1nc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)ccc1-c1cnc(C)cn1,GICFOXZJFZASHO-UHFFFAOYSA-N,2,1,0.392,7,720,495.425,3.348,5,0.346,0.56,1.0,0.6337896648619011,0.5441539305051059,0.5013107394969502,0.24161298060448222,0.48021682886710987
EOS-2-43588,O=c1c(-c2cncnc2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)nn1CC(F)(F)F,DCYZQBVCQNIROY-UHFFFAOYSA-N,2,1,0.43,65,466,495.425,2.384,5,0.334,0.63,0.998,0.24380611335754918,0.1507350421492701,0.49778116647248305,0.44417791789459254,0.33412505996847375
EOS-2-43589,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cc2)cn1,RVMWYECFQJMPTL-UHFFFAOYSA-N,2,1,0.646,1,640,495.436,5.513,5,0.219,0.75,1.0,0.9857532040298814,0.987106778150915,0.9902594064834487,0.977897333972997,0.9852541806593105
EOS-2-43590,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(OC(F)F)cn5)c4)n23)cc1F,DEJGYNDAURARRV-UHFFFAOYSA-N,2,1,0.709,91,485,495.436,5.354,5,0.27,0.74,1.0,0.9784798848605305,0.9823435679528476,0.9788653964772805,0.9689277636899458,0.9771541532451511
EOS-2-43591,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(F)cc5OC(F)F)n34)cn2)cc1,RBCQVHVLZXQSNG-UHFFFAOYSA-N,2,1,0.576,57,732,495.436,5.354,5,0.27,0.72,1.0,0.9513141662668768,0.9687821259680625,0.9704012747584128,0.9619457199643616,0.9631108217394284
EOS-2-43592,Fc1ccccc1-c1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cn1,OLMFUFVDSREDAD-UHFFFAOYSA-N,2,1,0.605,79,640,495.436,5.513,5,0.277,0.81,1.0,0.9828918511411144,0.9879206360084984,0.9857018024809814,0.9713265026386129,0.9819601980673018
EOS-2-43593,Fc1cccc(-c2nc(CCOc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc2F)c1,JHGVZDDQXFXLTM-UHFFFAOYSA-N,2,1,0.671,57,640,495.436,5.354,5,0.27,0.74,1.0,0.9834572681790145,0.9913731067096155,0.9583990130902611,0.9507059146048934,0.9709838256459461
EOS-2-43594,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cn2)cc1,VBLWNAAHBKNHFK-UHFFFAOYSA-N,2,1,0.65,1,640,495.436,5.513,5,0.277,0.82,1.0,0.9840055513672812,0.9895826194229319,0.9868240696319649,0.9729627852785964,0.9833437564251936
EOS-2-43595,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cnc1-c1ccccc1,USFJJIKLPRQPEQ-UHFFFAOYSA-N,2,1,0.598,79,640,495.436,5.513,5,0.277,0.75,1.0,0.9880919745048318,0.9873809197450483,0.9801761359742307,0.9627167431978617,0.9795914433554931
EOS-2-43596,COc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2F)nc1,IZFFVQNVMMSBAU-UHFFFAOYSA-N,2,1,0.593,1,138,495.436,5.599,5,0.286,0.79,1.0,0.9909790281680488,0.9784199163868138,0.9936433417860325,0.9793023096429305,0.9855861489959564
EOS-2-43597,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC(F)(F)F)cc5)n34)cc2F)cn1,WAMUYDBGYCEZFW-UHFFFAOYSA-N,2,1,0.583,1,713,495.436,5.778,5,0.278,0.77,1.0,0.9794479473648139,0.9726800767596464,0.992829483928449,0.9807158522376808,0.9814183400726476
EOS-2-43598,Cc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccc(F)nc4C(F)(F)F)nc3)n12,GMOVORWNTVXKMS-UHFFFAOYSA-N,2,1,0.505,27,676,495.44,4.731,5,0.248,0.7,1.0,0.9183829072716058,0.9316702076622576,0.8845435542457679,0.7583613186210678,0.8732394969501747
EOS-2-43599,Cc1cc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cn4)n23)c(OCC(F)F)cc1C(F)F,BDRARAJPEZEXAU-UHFFFAOYSA-N,2,1,0.312,96,121,495.44,5.2,5,0.287,0.69,0.994,0.4129857446371051,0.5031697621821671,0.9542954561030772,0.9104242341169214,0.6952187992598177
EOS-2-43600,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)c(C5CCC5)n4)n23)c(F)c1,GGKWEBTWZHHORV-UHFFFAOYSA-N,2,1,0.394,13,251,495.44,5.783,6,0.278,0.59,0.999,0.4811527654033308,0.5720392707833596,0.6958484682338428,0.7897419642245219,0.6346956171612638
EOS-2-43601,FC(F)Oc1ccc(-c2nnc3cncc(-c4cncc(-c5ncc(-c6ccccc6)nn5)n4)n23)cc1,AXFASDOBCRQRNE-UHFFFAOYSA-N,2,1,0.511,30,594,495.453,4.369,6,0.332,0.64,1.0,0.46863648824617915,0.5534233431567405,0.6371478993900349,0.6622489891028717,0.5803641799739565
EOS-2-43602,COc1cc(-c2cncnn2)ncc1-c1cncc2nnc(-c3cccnc3-c3cccc(F)c3F)n12,RKHXNXSDJCOPCX-UHFFFAOYSA-N,2,1,0.301,10,693,495.453,4.054,6,0.349,0.58,0.681,0.4358937015968748,0.4184343088205058,0.6713898978822562,0.6449780686724693,0.5426739942430265
EOS-2-43603,Fc1cccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)c1F,RLGJGNDONPUMCA-UHFFFAOYSA-N,2,1,0.477,77,755,495.453,3.958,6,0.338,0.66,1.0,0.8413919539442122,0.8516979644986635,0.4807586868617641,0.5598485367692413,0.6834242855184702
EOS-2-43604,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cncc(F)c6)cn5)n34)n2)nc1,VLKVTIAVHRZHDE-UHFFFAOYSA-N,2,1,0.436,80,414,495.453,3.958,6,0.338,0.68,1.0,0.5856692481666781,0.5720478377081762,0.522256870673703,0.5201322733191693,0.5500265574669316
EOS-2-43605,Fc1cccc(-c2ncnc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)c1F,UNGOJKHGSGTYHT-UHFFFAOYSA-N,2,1,0.438,77,177,495.453,3.958,6,0.338,0.66,1.0,0.8789236515660338,0.8312829826605441,0.5821568089918443,0.5883506956342951,0.7201785347131793
EOS-2-43606,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)ncc2F)cn1,CYWUIGMZMHOHJT-UHFFFAOYSA-N,2,1,0.412,28,297,495.453,3.958,6,0.317,0.7,1.0,0.7367812350078816,0.7751781920361867,0.48076725378658075,0.4725001713384963,0.6163067130422863
EOS-2-43607,Cc1c(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncccc6C#N)nn5)n34)cc2)cnn1C(F)F,JMXSSNGTLDODTB-UHFFFAOYSA-N,2,1,0.324,98,620,495.457,3.873,6,0.353,0.6,0.994,0.009680625042834625,0.17477383318483997,0.5191470769652525,0.49050784730313207,0.2985273456240148
EOS-2-43608,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccc(=O)[nH]n6)cc5)n34)n2)o1,KVSGFSFJUZGISM-UHFFFAOYSA-N,2,1,0.436,81,609,495.459,2.574,6,0.347,0.53,0.906,0.4569340689466109,0.26645706257281887,0.14891885408813652,0.09536700705914605,0.2419192481666781
EOS-2-43609,COc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)cn1,JQNHOYPCSPORIV-UHFFFAOYSA-N,2,1,0.352,80,816,495.463,2.379,6,0.317,0.64,1.0,0.3521948461380303,0.12547118086491674,0.05627612912069083,0.025246727434720034,0.13979722088958946
EOS-2-43610,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4OC(F)(F)F)n23)nc1,KHQCWMZWFYDWJK-UHFFFAOYSA-N,2,1,0.481,26,1,495.465,4.59,5,0.311,0.64,0.999,0.5631039681995751,0.5491998492221233,0.8869251593448015,0.7583698855458845,0.6893997155780961
EOS-2-43611,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)no2)cc1,WYAVQRHAMYESFG-UHFFFAOYSA-N,2,1,0.478,12,427,495.474,4.63,6,0.293,0.56,1.0,0.7459564114865328,0.6163388390103488,0.5460386539647728,0.4631108217394284,0.5928611815502707
EOS-2-43612,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)cn4)n23)ccc1Oc1ccncc1,KFIGVRABABPICK-UHFFFAOYSA-N,2,1,0.474,28,529,495.474,4.789,6,0.294,0.66,1.0,0.6822356247001576,0.5583921595504078,0.7162291823726955,0.627347337399767,0.646051076005757
EOS-2-43613,COc1nc(-c2nnc3cncc(OCc4cccnc4-c4ccc(F)cc4)n23)ccc1-c1cocn1,BTNGGHFUPFOWAZ-UHFFFAOYSA-N,2,1,0.447,28,427,495.474,4.63,6,0.313,0.58,1.0,0.754771777122884,0.5628640943047084,0.5426118840381057,0.4662548831471455,0.5816256596532109
EOS-2-43614,COc1nc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(-c4ccccc4F)cc3)n12,VPIRWTNMOYWJCT-UHFFFAOYSA-N,2,1,0.5,77,994,495.474,4.63,6,0.313,0.66,1.0,0.9169265300527722,0.7218747858268796,0.5917003632376122,0.5233106024261531,0.6884530703858542
EOS-2-43615,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)nn4)n23)nc1F,KBNLSDUFKZURMH-UHFFFAOYSA-N,2,1,0.381,81,218,495.478,3.887,6,0.304,0.61,0.899,0.45474950311836065,0.43660475635665824,0.379874580220684,0.32003461037625935,0.3978158625179906
EOS-2-43616,Cc1nnc(-c2ccc(F)nc2)c(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1C,CZNOCQSWITWNRQ-UHFFFAOYSA-N,2,1,0.457,81,117,495.478,4.028,6,0.312,0.65,1.0,0.7430008224247824,0.6112500856692482,0.3088376396408745,0.2655661023918854,0.4821636625316976
EOS-2-43617,CCc1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1ccc(-c2nnco2)nc1,CSXLTHNTWYDVFT-UHFFFAOYSA-N,2,1,0.406,6,826,495.478,3.974,6,0.3,0.6,0.85,0.5914776231923788,0.41844287574532246,0.3310773764649441,0.27409019258446987,0.40377201699677884
EOS-2-43618,COc1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncccc6F)cc5)n34)nc2)n1,DAJPBYWHASVFDH-UHFFFAOYSA-N,2,1,0.511,40,932,495.478,3.556,6,0.328,0.58,1.0,0.3801401548900007,0.4320043177301076,0.3873449386608183,0.31403776300459185,0.37838179357137963
EOS-2-43619,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)nn5)n34)c(F)c2)cn1,LGOOLGMHSUNSTN-UHFFFAOYSA-N,2,1,0.439,40,932,495.478,3.039,6,0.355,0.56,0.959,0.41988211911452267,0.43201288465492427,0.5460472208895895,0.4783428140634638,0.469071259680625
EOS-2-43620,Cc1cnc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(-c5nnnn5C)nc4)n23)n1,BMQHLQGCJKGJGQ-UHFFFAOYSA-N,2,1,0.432,71,843,495.482,2.86,6,0.339,0.66,1.0,0.40846240833390446,0.5077787677335344,0.10283736549928038,0.1262764717976835,0.28633875334110065
EOS-2-43621,Cc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnn(C)c6)nn5)n34)n2)ncc1F,ZUCXYFUUKVNFNH-UHFFFAOYSA-N,2,1,0.343,6,549,495.482,2.86,6,0.339,0.6,1.0,0.39127715715166883,0.31795284764580906,0.2326776780206977,0.18952607771914193,0.28285844013432937
EOS-2-43622,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncc(-c6nnnn6C)c5)cc4F)n23)nn1,KUVBPLUIDQTWMS-UHFFFAOYSA-N,2,1,0.433,71,534,495.482,2.86,6,0.339,0.6,1.0,0.42449112466588995,0.4629394832430951,0.21813960660681242,0.22100095949557946,0.33164279350284426
EOS-2-43623,Cc1c(-c2nnc3cncc(OCc4cnc(-c5cccnn5)nn4)n23)c(-c2ccc(F)cc2)nn1C,GVYOORKMRACMLU-UHFFFAOYSA-N,2,1,0.427,71,826,495.482,2.86,6,0.339,0.63,0.999,0.32091700363237613,0.40441881982043726,0.0702830511959427,0.09537557398396272,0.22274861215817968
EOS-2-43624,Cc1ncc(-c2ncc(F)cn2)nc1COc1cncc2nnc(-c3ccc(-c4ncn(C)n4)cc3)n12,QIMXKIUXUGXHKW-UHFFFAOYSA-N,2,1,0.458,56,8,495.482,2.86,6,0.339,0.65,1.0,0.48362003975053114,0.4845024330066479,0.09080940305667877,0.07707662257556028,0.2840021245973546
EOS-2-43625,CCn1cc(-c2cnc(COc3cncc4nnc(-c5nccnc5-c5ccccc5F)n34)nc2)nn1,UVCXQAKJMRZEHN-UHFFFAOYSA-N,2,1,0.363,80,855,495.482,3.035,6,0.325,0.66,0.999,0.31862106778150917,0.302506682201357,0.08608046055787814,0.10786615036666439,0.20376859022685218
EOS-2-43626,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnnc(-c5cccnn5)n4)n23)c(F)c1,ICVLZBQNOPVZIB-UHFFFAOYSA-N,2,1,0.444,71,502,495.482,2.594,6,0.325,0.59,1.0,0.5659224864642588,0.5259406483448701,0.16768898636145568,0.18658762250702488,0.36153493591940233
EOS-2-43627,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)nn5)n34)cc2F)n(C)n1,NQLUBSYCUCQQMP-UHFFFAOYSA-N,2,1,0.468,71,843,495.482,2.86,6,0.339,0.53,1.0,0.4614317044753615,0.48923137550544854,0.13674525392365156,0.12836680145295046,0.303943783839353
EOS-2-43628,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(-c6cccnn6)n5)n34)cc2)n(C)n1,DENKKSVQHQKGOK-UHFFFAOYSA-N,2,1,0.426,71,428,495.482,2.86,6,0.339,0.61,0.999,0.5499194709067233,0.4804759783428141,0.08115447878829415,0.07708518950037695,0.29715877938455215
EOS-2-43629,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnc7scnn67)cc5)n34)cn2)no1,LACWLHOEBJUJAK-UHFFFAOYSA-N,2,1,0.462,6,2,495.488,2.982,7,0.335,0.64,1.0,0.4836286066753478,0.38510040435885134,0.07029161812075937,0.09538414090877939,0.2586011925159345
EOS-2-43630,Cc1onc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccc(-c4ccc(F)cc4)cc3)n12,QMXRXZNTZINGLY-UHFFFAOYSA-N,2,1,0.603,12,492,495.489,6.279,6,0.271,0.7,1.0,0.9289716263450072,0.8938815022959359,0.8822561853197176,0.8904890000685354,0.8988995785072991
EOS-2-43631,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(-n6cccc6)cc5)n34)cc2)c(F)c1,JTUVBQXPBQPSRQ-UHFFFAOYSA-N,2,1,0.58,17,603,495.489,6.232,6,0.263,0.75,1.0,0.8243780412583099,0.7359245425262148,0.959846823384278,0.9458056336097594,0.8664887601946405
EOS-2-43632,Fc1ccc(Cn2cc(-c3ccc(-c4nnc5cncc(OCc6ccncc6)n45)cc3)cn2)cc1F,FEJGNJPKMAJTLW-UHFFFAOYSA-N,2,1,0.595,77,190,495.493,4.955,6,0.312,0.72,1.0,0.5999588787608799,0.582653690631211,0.9052840792269207,0.8779384552121171,0.7414587759577822
EOS-2-43633,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4F)n23)cc1F,CTYQUOVCMOLEDI-UHFFFAOYSA-N,2,1,0.473,77,177,495.493,5.111,6,0.319,0.68,1.0,0.8006904941402234,0.6207422383661161,0.857309300253581,0.8340672332259612,0.7782023164964704
EOS-2-43634,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)cc5)c(F)c4)n23)cc1,LGBHUDSQDLJAKD-UHFFFAOYSA-N,2,1,0.671,12,492,495.493,5.111,6,0.319,0.7,1.0,0.9250908094030567,0.8046826811047906,0.8757538893838668,0.8676410115824823,0.8682920978685491
EOS-2-43635,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)c1,SUZCBZNAWNFBHP-UHFFFAOYSA-N,2,1,0.547,77,994,495.493,5.111,6,0.319,0.72,1.0,0.6763844150503735,0.592428551847029,0.8689346172297991,0.8596223699540813,0.7493424885203208
EOS-2-43636,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cc5)n34)cc2)cn1,QCOBJECZCDJKPJ-UHFFFAOYSA-N,2,1,0.536,41,190,495.493,5.691,6,0.283,0.73,1.0,0.5999674456856967,0.5303354807758207,0.9277808237954903,0.8865824823521349,0.7361665581522856
EOS-2-43637,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5Cc5ccccc5)cn4)n23)cc1F,JEHMMCKFUKILFE-UHFFFAOYSA-N,2,1,0.511,28,177,495.493,4.955,6,0.312,0.74,1.0,0.77509252278802,0.5350044548009046,0.8618754711808649,0.8457610856007127,0.7544333835926256
EOS-2-43638,CCn1nc(-c2ccc(-c3cccc(F)n3)cc2)cc1Oc1cncc2nnc(-c3ccc(F)cc3)n12,CVNPBZHPPXZGQD-UHFFFAOYSA-N,2,1,0.447,12,937,495.493,5.807,6,0.271,0.5,1.0,0.6702504968816394,0.6983585772051264,0.7371239120005483,0.737672195188815,0.7108512953190322
EOS-2-43639,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)cc5)n34)cc2)cn1,DRZMVJCCJVSAFQ-UHFFFAOYSA-N,2,1,0.535,77,427,495.493,5.691,6,0.283,0.68,1.0,0.6114899595641149,0.5350130217257213,0.910227194846138,0.8613014872181481,0.7295079158385306
EOS-2-43640,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)c(F)c5)n34)c2)n1,BCFYUDMIHAQKOR-UHFFFAOYSA-N,2,1,0.495,77,190,495.493,5.111,6,0.299,0.69,1.0,0.7187221574943459,0.6015951614008636,0.8938558015214858,0.8613100541429648,0.7688707936399151
EOS-2-43641,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)c(F)c2)ccc1F,UJXXTZWPGNCDQB-UHFFFAOYSA-N,2,1,0.479,77,763,495.493,5.409,6,0.332,0.63,1.0,0.8882615996162018,0.7880799808100885,0.8915084641217189,0.8560499623055308,0.855975001713385
EOS-2-43642,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cc6)c(F)c5)n34)nc2)cn1,JAZSMNPSKHWJLN-UHFFFAOYSA-N,2,1,0.571,41,492,495.493,5.111,6,0.319,0.78,1.0,0.5914861901171955,0.6394352683160852,0.8997669796449866,0.8752570077445,0.7514863614556918
EOS-2-43643,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6cccn6)cc5)n34)cc2F)cn1,BNMWSKHFBPDOAE-UHFFFAOYSA-N,2,1,0.598,77,111,495.493,4.939,6,0.292,0.73,1.0,0.6337982317867178,0.5674730998560756,0.8757624563086834,0.8511068466863135,0.7320351586594476
EOS-2-43644,COCc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5)n34)n2)o1,WXIPSFOSGXMSGA-UHFFFAOYSA-N,2,1,0.464,81,609,495.503,3.362,6,0.31,0.65,1.0,0.2757264752244534,0.2202470701117127,0.1743112192447399,0.11958570351586595,0.197467617024193
EOS-2-43645,COCCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cocn6)n5)n34)cn2)cn1,BBLOZRVZNCJLTA-UHFFFAOYSA-N,2,1,0.417,6,297,495.503,3.325,6,0.294,0.66,1.0,0.2572047837708176,0.09624083339044616,0.17431978616955657,0.11959427044068262,0.16183991844287574
EOS-2-43646,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5ccc(-c6nnco6)cn5)n34)nc2)cc1,KXTUCMNNHUGETR-UHFFFAOYSA-N,2,1,0.293,30,737,495.506,5.027,7,0.324,0.62,1.0,0.12250702487834966,0.09294256733602906,0.41972791446782265,0.4568312658488109,0.2730021931327531
EOS-2-43647,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccccn6)nn6cc(C#N)cc56)n34)cc2)o1,CCMDRDLYLUZRJR-UHFFFAOYSA-N,2,1,0.276,69,57,495.506,5.003,7,0.334,0.59,0.999,0.15029812898362005,0.23554759783428142,0.6133832499485985,0.6004471934754301,0.3999190425604825
EOS-2-43648,COc1nc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)ccc1-c1ccnn1C,ISDUPEQKLQOXOI-UHFFFAOYSA-N,2,1,0.346,92,549,495.507,2.365,6,0.325,0.6,0.997,0.19438352409019258,0.06913508327050921,0.10557878144061408,0.04453087519703927,0.10340706599958877
EOS-2-43649,COc1ccccc1-n1cc(CCOc2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)nn1,RYCHMZQMADEIGV-UHFFFAOYSA-N,2,1,0.489,67,447,495.507,2.193,6,0.309,0.73,1.0,0.21932184223151258,0.19609690905352614,0.05445137413474059,0.04453944212185594,0.1286023918854088
EOS-2-43650,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)ccc1-c1ncnn1C,UORQLXJMAJUPDB-UHFFFAOYSA-N,2,1,0.408,56,350,495.507,2.365,6,0.325,0.6,1.0,0.23866595846754848,0.1217531354944829,0.13997498457953533,0.06762730450277568,0.1420053457610856
EOS-2-43651,COc1cc(-c2nnc3cncc(OCCc4ccc(-n5nccn5)nn4)n23)ccc1-c1nccn1C,ZASUSOZCEQSRRT-UHFFFAOYSA-N,2,1,0.436,71,771,495.507,2.193,6,0.309,0.6,1.0,0.30043348639572337,0.15074360907408677,0.06401206223014187,0.03515009252278802,0.137584812555685
EOS-2-43652,c1ccc(-n2nccc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nn2)cc1,COEBADBHIIRFBV-UHFFFAOYSA-N,2,1,0.291,32,944,495.51,3.953,7,0.349,0.58,0.753,0.01857309300253581,0.04640703173188952,0.2613169076828182,0.2920550339250223,0.15458801658556645
EOS-2-43653,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ocnc5-c5ccccc5)n34)ccc2F)n1C,HHQYXSJPSSOPIW-UHFFFAOYSA-N,2,1,0.533,77,177,495.518,4.916,6,0.31,0.6,1.0,0.7722740045233363,0.6298403125214174,0.4668374340346789,0.43165307381262424,0.5751512062230142
EOS-2-43654,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5c(-c6ccc(F)cc6)noc5C)n34)cc2)cn1,ZCBPTEWALCBXGE-UHFFFAOYSA-N,2,1,0.528,77,190,495.518,5.356,6,0.294,0.69,1.0,0.5011222671509835,0.6112586525940649,0.5426204509629223,0.49346343636488244,0.5371162017682134
EOS-2-43655,Cn1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(-c6ccn(C)n6)c(F)c5)n34)nc2)n1,BICFFIZQVLZPNP-UHFFFAOYSA-N,2,1,0.552,71,889,495.522,3.748,6,0.332,0.64,1.0,0.6454663833870194,0.639443835240902,0.47369954081282983,0.3811253512439175,0.5349337776711672
EOS-2-43656,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnn(-c5cccnc5)c4)n23)ccc1F,VPZDWNWASVNVKF-UHFFFAOYSA-N,2,1,0.47,26,125,495.522,4.016,6,0.314,0.68,1.0,0.5086954286889178,0.46714584332807896,0.47710060996504694,0.41885408813652253,0.46794899252964156
EOS-2-43657,Cn1nc(-c2nnc3cncc(OCCc4nc(-c5ccccc5)nn4C)n23)cc1-c1ccc(F)cc1,XBFYVHOUJGPYDD-UHFFFAOYSA-N,2,1,0.473,19,266,495.522,3.748,6,0.332,0.7,1.0,0.4039904735796039,0.4366133232814749,0.11944863271879926,0.18136179836885752,0.2853535569871839
EOS-2-43658,CCn1c(C)nc(-c2ncc(F)c(C)n2)c1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,SINPTLJFAHJNGT-UHFFFAOYSA-N,2,1,0.289,98,882,495.526,3.683,6,0.355,0.58,1.0,0.22764032622849703,0.22025563703652937,0.037951476937838395,0.0432458364745391,0.13227331916935098
EOS-2-43659,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccncc6)ns5)n34)cc2)cc1=O,HPSTWTJIVNZTNG-UHFFFAOYSA-N,2,1,0.432,40,25,495.528,3.044,6,0.343,0.6,1.0,0.2732677678020698,0.2459821122609828,0.13675382084846824,0.13276163388390103,0.19719133369885547
EOS-2-43660,COc1cc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)ccc1-c1csnn1,SHYLETRQPUOVEM-UHFFFAOYSA-N,2,1,0.49,81,218,495.528,3.749,6,0.323,0.61,1.0,0.24683880474264958,0.23555616475909807,0.22520731958056336,0.1569888972654376,0.21614779658693717
EOS-2-43661,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5nccs5)n4)n23)ccc1-c1ccncn1,JDLFPKSFGAEWCO-UHFFFAOYSA-N,2,1,0.505,28,414,495.528,3.749,6,0.323,0.63,1.0,0.4429785484202591,0.3946953601535193,0.19389520937564253,0.12628503872250016,0.28946353916798023
EOS-2-43662,COc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)nc4)n23)s1,BKYPKHMTCBGZIH-UHFFFAOYSA-N,2,1,0.396,80,34,495.528,3.749,6,0.323,0.64,0.998,0.4063292440545542,0.18726440956754165,0.1489274210129532,0.10145809060379686,0.21099479130971147
EOS-2-43663,Oc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1nnc(-c2cnccn2)s1,HSJDDOOEIWXJCC-UHFFFAOYSA-N,2,1,0.517,6,393,495.528,3.489,6,0.35,0.47,0.999,0.4547580700431773,0.4044273867452539,0.1805393735864574,0.15962751010897128,0.29983808512096494
EOS-2-43664,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)n1,GYIASMMMSMIURC-UHFFFAOYSA-N,2,1,0.482,65,981,404.459,2.963,5,0.464,0.73,1.0,0.5714824206702762,0.48048454526763074,0.10558734836543074,0.08948152971009526,0.31175896100335826
EOS-2-43665,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cscn5)n34)c2)cn1,GBTOCNCRJYCEOF-UHFFFAOYSA-N,2,1,0.585,87,349,404.459,2.665,5,0.429,0.69,1.0,0.3912857240764855,0.20538345555479406,0.16769755328627237,0.1327702008087177,0.2242842334315674
EOS-2-43666,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)n1C,ULXSFEFSPWRVDI-UHFFFAOYSA-N,2,1,0.482,55,283,404.459,2.931,5,0.444,0.6,1.0,0.39777088616270306,0.27678877390172024,0.10026728805428003,0.06587965184017545,0.2101766499897197
EOS-2-43667,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4ccsc4)n23)c1,IAVLWYBFKPOPRT-UHFFFAOYSA-N,2,1,0.506,65,349,404.459,2.665,5,0.429,0.69,1.0,0.39351312452881915,0.19145363580289218,0.11674148447673223,0.11268076211363169,0.20359725173051882
EOS-2-43668,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncn(C)n5)cc4)n23)cs1,AMZIYKDZZGYTLS-UHFFFAOYSA-N,2,1,0.557,36,320,404.459,2.931,5,0.444,0.76,1.0,0.3683434994174491,0.3319169350969776,0.09297683503529573,0.056704475361524224,0.21248543622781169
EOS-2-43669,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)nn2C)cn1,YWXPMPPFOCJWCG-UHFFFAOYSA-N,2,1,0.53,95,694,404.459,2.931,5,0.444,0.68,1.0,0.1503066959084367,0.10254609005551367,0.11351175382084847,0.08406723322596121,0.11260794325269002
EOS-2-43670,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)nc4)n23)n1,JYQVEVJHEZHEDR-UHFFFAOYSA-N,2,1,0.465,92,464,404.459,2.931,5,0.444,0.7,1.0,0.28147488177643754,0.28714618600507164,0.07461791515317662,0.047332259612089644,0.17264281063669384
EOS-2-43671,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cn2)nn1C,MKJOGEJOOXMPSX-UHFFFAOYSA-N,2,1,0.5,55,283,404.459,2.931,5,0.444,0.72,1.0,0.3004420533205401,0.2409533273935988,0.11080460557878144,0.06941779178945925,0.1804044445205949
EOS-2-43672,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccns5)n34)c2)cn1,ARAMPLGEZCUEAN-UHFFFAOYSA-N,2,1,0.416,92,711,404.459,3.105,5,0.429,0.69,1.0,0.11974847508738264,0.07645980398876019,0.12501713384963334,0.09336234665204578,0.10364693989445549
EOS-2-43673,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)cn1,ZNIGVVWXQZZLOD-UHFFFAOYSA-N,2,1,0.488,65,981,404.459,2.665,5,0.429,0.69,1.0,0.3935216914536358,0.2767973408265369,0.1167500514015489,0.10787471729148106,0.22373595024330065
EOS-2-43674,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncs4)n23)cc1,QQGALXCFNCPDJM-UHFFFAOYSA-N,2,1,0.597,15,187,404.459,2.665,5,0.429,0.73,1.0,0.6141457062572819,0.3996641765471866,0.09790281680487972,0.09337091357686245,0.3012709032965527
EOS-2-43675,N#Cc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)cc2)c1,QXHQDQQQIRYKEP-UHFFFAOYSA-N,2,1,0.6,17,403,495.542,6.701,6,0.245,0.82,1.0,0.9454629566170927,0.8610530463984648,0.9431584538414091,0.929622712631074,0.91982429237201
EOS-2-43676,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccn4)n23)cc1F,GFZYBGHTKJWUCZ-UHFFFAOYSA-N,2,1,0.484,28,942,495.543,5.398,6,0.306,0.66,1.0,0.8367144129943116,0.7311870331025975,0.48780069906106505,0.4754471934754301,0.632787334658351
EOS-2-43677,Cc1ccccc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnc5)s4)n23)cc1F,IFXUCKHRDRUXJQ-UHFFFAOYSA-N,2,1,0.505,77,937,495.543,5.398,6,0.306,0.68,1.0,0.557458364745391,0.6443612500856692,0.5358097457336715,0.5632239051470084,0.575213316427935
EOS-2-43678,COCc1snnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c(F)c1,DVUGAPWOHASPEI-UHFFFAOYSA-N,2,1,0.278,30,737,495.543,5.324,6,0.309,0.68,0.93,0.18601363854430814,0.30762970324172434,0.532391542731821,0.6065896785689808,0.4081561407717086
EOS-2-43679,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccoc5)n34)ccn2)cs1,XUESZFDFHYFKFL-UHFFFAOYSA-N,2,1,0.551,75,583,404.455,3.833,5,0.425,0.73,1.0,0.47394798163251317,0.307638270166541,0.23608731409773148,0.18659618943184156,0.3010674388321568
EOS-2-43680,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)o1,HWKVOCJXEZLJQL-UHFFFAOYSA-N,2,1,0.435,18,840,404.455,3.833,5,0.425,0.66,1.0,0.4405455417723254,0.21519258446987868,0.2647179768350353,0.2036101021177438,0.2810165512987458
EOS-2-43681,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)no1,TXTUSZZJFULEMB-UHFFFAOYSA-N,2,1,0.587,15,921,404.455,3.833,5,0.425,0.71,1.0,0.5471780549653896,0.39000068535398535,0.19730484545267632,0.1701391268590227,0.32615567815776847
EOS-2-43682,COc1cc(-c2nnc3cncc(OCc4cscn4)n23)ccc1-c1ccc[nH]1,ZHGQFGJFKNXGOG-UHFFFAOYSA-N,2,1,0.593,4,61,404.455,3.831,5,0.463,0.67,0.993,0.3891525597971352,0.40443595367007057,0.48077582071139746,0.3650538002878487,0.409854533616613
EOS-2-43683,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5nccs5)n34)c2)co1,OOSMXNNEAPWXED-UHFFFAOYSA-N,2,1,0.63,15,684,404.455,3.833,5,0.425,0.77,1.0,0.5600798437392913,0.4759612089644301,0.16460489342745527,0.13709649784113495,0.3344356109930779
EOS-2-43684,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)o1,QKTUYQDVTXNGNN-UHFFFAOYSA-N,2,1,0.5,65,349,404.455,3.833,5,0.425,0.67,1.0,0.4788653964772805,0.29759783428140635,0.32002604345144264,0.24729285175793297,0.3359455314920156
EOS-2-43685,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cccs5)n34)c2)no1,ASPBZQMOXWWZCT-UHFFFAOYSA-N,2,1,0.654,15,921,404.455,3.833,5,0.425,0.79,1.0,0.6338067987115346,0.507787334658351,0.15815399904050442,0.1417654718662189,0.3603784010691522
EOS-2-43686,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5cncn5C)n(C)n4)n23)cn1,RVYCPDKKQLWAIF-UHFFFAOYSA-N,2,1,0.414,31,569,404.438,1.28,5,0.42,0.6,1.0,0.1172812007401823,0.009894798163251319,0.0352357617709547,0.019489753957919267,0.045475378658076895
EOS-2-43687,c1ccc(-n2nccc2-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)cc1,KFJLOJSPOHMNCH-UHFFFAOYSA-N,2,1,0.324,30,298,404.433,4.904,6,0.418,0.68,1.0,0.05720992392570763,0.04641559865670619,0.6252655746693166,0.667937427181139,0.3492071311082174
EOS-2-43688,Cc1cnc(-c2cncc3nnc(-c4ccc(C#N)cc4)n23)c(Oc2ccccc2)c1,CUARYTVDDKRLMW-UHFFFAOYSA-N,2,1,0.416,62,586,404.433,4.826,5,0.426,0.85,1.0,0.377707148242067,0.3368257830169282,0.7659344801590021,0.7505739839627168,0.5577603488451786
EOS-2-43689,N#Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)c4)n23)cc1,DVBRIHXQHOZIND-UHFFFAOYSA-N,2,1,0.557,1,230,404.433,4.304,5,0.434,0.75,1.0,0.908188266739771,0.8046912480296073,0.8795576040024673,0.8628349667603317,0.8638180213830443
EOS-2-43690,N#Cc1cccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)c1,QGOUDIHDFIRZLZ-UHFFFAOYSA-N,2,1,0.494,1,347,404.433,4.304,5,0.434,0.76,1.0,0.7002347337399767,0.5970803920224796,0.7727109176889864,0.7634329381125351,0.7083647453909945
EOS-2-43691,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)cc1,CFYXDXRRDBEEOC-UHFFFAOYSA-N,2,1,0.571,77,230,404.433,4.304,5,0.434,0.87,1.0,0.932535467068741,0.8349153587828113,0.8573178671783976,0.8280018504557604,0.8631926358714276
EOS-2-43692,Fc1ccccc1-c1nnc2cncc(OCc3ccc(-c4ccsc4)nn3)n12,XQMLILSKSSKFRE-UHFFFAOYSA-N,2,1,0.543,4,820,404.43,4.028,5,0.44,0.74,1.0,0.6454749503118361,0.7032588582002605,0.5392365156603386,0.5728702624905764,0.6152101466657529
EOS-2-43693,Fc1ccc(COc2cncc3nnc(-c4ccsc4)n23)cc1-c1cncnc1,FYCBWZLKPUAAKM-UHFFFAOYSA-N,2,1,0.544,2,817,404.43,4.028,5,0.44,0.71,1.0,0.6225926941265163,0.45396991296004385,0.7773713247892536,0.7531183606332671,0.6517630731272702
EOS-2-43694,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cn1,XRIVWIJOJDZIMO-UHFFFAOYSA-N,2,1,0.562,97,992,404.43,4.028,5,0.412,0.8,1.0,0.8641799739565486,0.7265351929271469,0.6492272633815366,0.5945959838256459,0.7086346035227195
EOS-2-43695,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4ccns4)n23)ccn1,IKWFWWDFSSCONL-UHFFFAOYSA-N,2,1,0.531,97,183,404.43,4.028,5,0.44,0.69,1.0,0.7249674456856967,0.6112672195188815,0.5917089301624289,0.6216588993214995,0.6374006236721267
EOS-2-43696,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cn1,FHPXZOJBKOAOEO-UHFFFAOYSA-N,2,1,0.584,97,91,404.43,4.028,5,0.412,0.77,1.0,0.884672058118018,0.7311956000274141,0.7162377492975122,0.6679459941059557,0.750012850387225
EOS-2-43697,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)cn2)ccn1,MHZIDACXCMWXIR-UHFFFAOYSA-N,2,1,0.46,55,879,404.43,4.028,5,0.412,0.74,1.0,0.7155438283873621,0.717377150298129,0.6742084161469399,0.6391953944212185,0.6865811973134124
EOS-2-43698,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccs5)cn4)n23)ccn1,LTAREULXRGWBPO-UHFFFAOYSA-N,2,1,0.432,46,565,404.43,4.028,5,0.412,0.76,1.0,0.778159481872387,0.6786632170516071,0.6252741415941334,0.6032485778904805,0.671336354602152
EOS-2-43699,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccsc5)n34)ccn2)nc1,ZHFJCQAPBAWGGO-UHFFFAOYSA-N,2,1,0.519,24,199,404.43,4.028,5,0.44,0.77,1.0,0.8341529024741279,0.6493386334041532,0.6224299225549996,0.6032571448152971,0.6772946508121446
EOS-2-43700,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccsc5)n4)n23)cc1,WJKHPBSKMYPGQX-UHFFFAOYSA-N,2,1,0.577,97,335,404.43,4.028,5,0.44,0.78,1.0,0.9019001439243369,0.8666215475292989,0.5258035775478035,0.5533548077582071,0.7119200191899117
EOS-2-43701,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ccn2)cn1,GJPBPIIVOIFLST-UHFFFAOYSA-N,2,1,0.62,24,525,404.43,4.028,5,0.412,0.83,1.0,0.6608954149818381,0.7218833527516962,0.6339353025837845,0.6065982454937976,0.6558280789527792
EOS-2-43702,Fc1ccccc1-c1nnc2cncc(OCc3csc(-c4ccccn4)n3)n12,CHACKLSLPSXRHI-UHFFFAOYSA-N,2,1,0.568,24,268,404.43,4.028,5,0.44,0.77,1.0,0.5471866218902063,0.6983671441299432,0.3836697279144678,0.4284918785552738,0.5144288431224728
EOS-2-43703,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCc4cccs4)n23)c1,MGSDFJBKNPIULB-UHFFFAOYSA-N,2,1,0.549,46,160,404.43,4.028,5,0.412,0.7,0.997,0.6367709546981015,0.6207508052909327,0.5917174970872455,0.5823538482626276,0.6078982763347268
EOS-2-43704,Fc1cc(-c2csnn2)ccc1COc1cncc2nnc(-c3ccccc3)n12,LTGTWSVVGVRIHA-UHFFFAOYSA-N,2,1,0.564,43,909,404.43,4.028,5,0.44,0.83,1.0,0.6883524090192584,0.6443698170104859,0.6876156534850251,0.6996521828524432,0.6799975155918031
EOS-2-43705,Fc1csc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c1,SARLVOYNRGBJDC-UHFFFAOYSA-N,2,1,0.471,46,119,404.43,4.028,5,0.44,0.74,1.0,0.6085086697279145,0.6349719004866013,0.6224384894798163,0.6157734219724488,0.6204231204166952
EOS-2-43706,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cc1,KFNFFTXQWBOAQF-UHFFFAOYSA-N,2,1,0.636,1,850,404.43,4.028,5,0.44,0.74,1.0,0.7398481940922487,0.8123158111164417,0.6492358303063532,0.6392039613460352,0.7101509492152696
EOS-2-43707,Fc1ccccc1-c1nnc2cncc(OCc3cccc(-c4cncs4)n3)n12,UPFGUDWPKIRMEL-UHFFFAOYSA-N,2,1,0.53,97,436,404.43,4.028,5,0.44,0.75,1.0,0.5914947570420122,0.6983757110547598,0.5358183126584881,0.5468696456719896,0.5931396066068124
EOS-2-43708,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)s4)n23)cc1,KOJJKJYRZNSEPV-UHFFFAOYSA-N,2,1,0.623,24,805,404.43,4.028,5,0.44,0.78,1.0,0.9113323281474882,0.8547220889589473,0.4385580152148585,0.47835138098828045,0.6707409533273937
EOS-2-43709,Fc1ccccc1-c1nnc2cncc(OCc3ccc(-c4cccnn4)s3)n12,PCMKSIHXANXXNZ-UHFFFAOYSA-N,2,1,0.518,4,268,404.43,4.028,5,0.44,0.79,0.999,0.7187307244191625,0.7880885477349051,0.542629017887739,0.5696747995339593,0.6547807723939414
EOS-2-43710,CC(C)n1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cc1,LXMUBRYWDGNPDW-UHFFFAOYSA-N,2,1,0.518,77,755,495.572,4.728,6,0.313,0.66,1.0,0.3977794530875197,0.2871547529298883,0.257530326913851,0.2005003084092934,0.2857412103351381
EOS-2-43711,CCc1nc(-c2nnc3cncc(OCc4nc(-c5ccccc5)ns4)n23)ccc1-c1cn(C)cn1,AZLPTOSYRFHZED-UHFFFAOYSA-N,2,1,0.375,6,857,495.572,4.247,6,0.323,0.6,1.0,0.2522274004523336,0.24096189431841547,0.05445994105955726,0.05002227400452334,0.1494178774587074
EOS-2-43712,COc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1cc(=NC(C)C)nc(C)[nH]1,DXSDERYELZNPFE-UHFFFAOYSA-N,2,1,0.589,91,309,495.587,4.429,5,0.342,0.54,0.973,0.5135357412103352,0.14311047906243574,0.4491210335138099,0.23003049825234734,0.33394943800973204
EOS-2-43713,Cn1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cncn5C)c4)n23)n1,IDVBJNLMTHBGPG-UHFFFAOYSA-N,2,1,0.477,36,911,404.409,2.643,5,0.448,0.69,1.0,0.4084709752587211,0.5166541018436023,0.4668460009594956,0.38409807415530123,0.4440172880542801
EOS-2-43714,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccn(C)n5)n34)ccc2F)cn1,NLMGYQZHGBVUAX-UHFFFAOYSA-N,2,1,0.5,36,394,404.409,2.643,5,0.448,0.76,1.0,0.4334435610993078,0.5441624974299225,0.4942173257487492,0.40589233088890414,0.46942892879172093
EOS-2-43715,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4)n23)n(C)n1,KMEKLIOHNXAWKA-UHFFFAOYSA-N,2,1,0.549,36,32,404.409,2.643,5,0.448,0.72,1.0,0.5856778150914947,0.6591477623192379,0.34977897333972996,0.320043177301076,0.47866193201288465
EOS-2-43716,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccn(C)n5)n34)cc2F)cn1,JJZKZHGVBUTDGS-UHFFFAOYSA-N,2,1,0.524,36,394,404.409,2.643,5,0.448,0.78,1.0,0.44055410869714207,0.5213916112672196,0.4878092659858817,0.3966657528613529,0.461605184702899
EOS-2-43717,Cn1cncc1CCOc1cncc2nnc(-c3ccc(-n4cccn4)c(F)c3)n12,DLZYNUZYSLWZQH-UHFFFAOYSA-N,2,1,0.5,37,563,404.409,2.471,5,0.432,0.74,1.0,0.447570420121993,0.3661417997395655,0.3497875402645466,0.3170533205400589,0.370138270166541
EOS-2-43718,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)c4)n23)n1,MOOPPRMIHPIPLV-UHFFFAOYSA-N,2,1,0.5,36,677,404.409,2.643,5,0.448,0.64,1.0,0.4198906860393393,0.47596977588924677,0.46685456788431223,0.37812692755808375,0.43521048934274553
EOS-2-43719,Cn1nc(-c2nnc3cncc(OCCc4ccoc4)n23)cc1-c1ccc(F)cc1,WRGGMOQFKYWNPD-UHFFFAOYSA-N,2,1,0.542,95,835,404.405,3.545,5,0.43,0.79,1.0,0.5036923445959838,0.3517407991227469,0.4977897333972997,0.5034439037763004,0.46416669522308274
EOS-2-43720,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccco5)n34)cc2F)cn1,PRADXRDXYNJGSJ-UHFFFAOYSA-N,2,1,0.642,15,563,404.405,3.545,5,0.43,0.79,1.0,0.7693012816119525,0.634980467411418,0.6464430128161195,0.5823624151874444,0.6582717942567335
EOS-2-43721,CCn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncnn4C)n23)nn1,GTTYZYSNTCQFCV-UHFFFAOYSA-N,2,1,0.34,53,105,404.398,0.567,5,0.394,0.63,1.0,0.06807278459324241,0.08981563977794531,0.002741415941333699,0.0008395586320334452,0.040367349736138716
EOS-2-43722,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)c(O)c4)n23)n1,CUJNUZFGZYWMPW-UHFFFAOYSA-N,2,1,0.422,36,404,404.394,1.0,5,0.455,0.57,1.0,0.21933040915632923,0.19610547597834282,0.040804262901788776,0.0252552943595367,0.12037386059899939
EOS-2-43723,Cc1nnc(CCOc2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)o1,HDRDLVHKSNATMN-UHFFFAOYSA-N,2,1,0.556,36,447,404.394,1.295,5,0.407,0.72,1.0,0.4222123226646563,0.30251524912617367,0.007813035432801041,0.005542800356384072,0.18452085189500375
EOS-2-43724,Cc1cc(COc2cncc3nnc(-c4cc(-c5nnco5)n(C)n4)n23)nc(C)n1,HDSYAYILOKIHJS-UHFFFAOYSA-N,2,1,0.376,53,105,404.394,1.561,5,0.424,0.72,0.987,0.09422760605852923,0.015489000068535399,0.012190734014118292,0.004317730107600576,0.03155626756219588
EOS-2-43725,COc1ccc(-c2nnc3cncc(OCc4cc(-c5nnco5)nn4C)n23)cc1,CEGRAGRZMOKUEG-UHFFFAOYSA-N,2,1,0.524,36,226,404.39,2.162,5,0.419,0.73,1.0,0.3455126447810294,0.23556473168391473,0.122498457953533,0.06942635871427592,0.19325054828318827
EOS-2-43726,COc1cc(-c2nnc3cncc(OCc4cn(C)nn4)n23)ccc1-c1cnco1,JGUDJVFWPRAGNG-UHFFFAOYSA-N,2,1,0.527,92,638,404.39,2.162,5,0.419,0.68,1.0,0.13646254540470154,0.14675142210951958,0.17432835309437325,0.09732026591734631,0.13871564663148517
EOS-2-43727,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)no1,ZNOUJNYROJDJDJ-UHFFFAOYSA-N,2,1,0.517,36,926,404.39,1.646,5,0.449,0.75,1.0,0.44298711534507573,0.2355732986087314,0.1367623877732849,0.11506236721266534,0.23259629223493936
EOS-2-43728,COc1cc(-c2nnc3cncc(OCc4nncn4C)n23)ccc1-c1cnco1,JFWCYJNSQYWKSQ-UHFFFAOYSA-N,2,1,0.432,36,375,404.39,2.162,5,0.419,0.71,1.0,0.3407494345829621,0.19611404290315948,0.13677095469810158,0.07900418065931053,0.1881596532108834
EOS-2-43729,COc1cc(-c2nnc3cncc(OCc4ncn(C)n4)n23)ccc1-c1cocn1,YKZBXVMQAAIHPR-UHFFFAOYSA-N,2,1,0.432,36,248,404.39,2.162,5,0.419,0.73,1.0,0.3234271126036598,0.19146220272770886,0.12250702487834966,0.0642947707490919,0.17542277773970255
EOS-2-43730,COc1cc(-c2nnc3cncc(OCc4ncnn4C)n23)ccc1-c1cocn1,VVLYELYOATZIND-UHFFFAOYSA-N,2,1,0.432,36,248,404.39,2.162,5,0.419,0.74,1.0,0.3846377904187513,0.21520115139469537,0.11352032074566513,0.06269275580837502,0.1940130045918717
EOS-2-43731,Cn1nc(-c2nnco2)cc1COc1cncc2nnc(-c3ccc(CO)cc3)n12,YXTFXPHQAYDOHQ-UHFFFAOYSA-N,2,1,0.517,36,226,404.39,1.646,5,0.449,0.7,0.999,0.4763210198067302,0.28716331985470495,0.15208861627030362,0.11733260228908231,0.25822638955520527
EOS-2-43732,COc1cc(-c2nnc3cncc(OCc4ccoc4)n23)ccc1-c1noc(C)n1,BEWOTHOADKPQSI-UHFFFAOYSA-N,2,1,0.524,16,248,404.386,3.33,5,0.42,0.78,1.0,0.41299431156192173,0.17478240010965665,0.2796929614145706,0.15699746419025426,0.25611678431910084
EOS-2-43733,COc1cc(-c2nnc3cncc(OCCc4ccco4)n23)ccc1-c1ncon1,FAHYSPTZWXSRRU-UHFFFAOYSA-N,2,1,0.65,15,604,404.386,3.064,5,0.404,0.75,1.0,0.6367795216229183,0.33192550202179427,0.2797015283393873,0.17850901240490713,0.35672889109725175
EOS-2-43734,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)n1,IIMVEBNBEZAORP-UHFFFAOYSA-N,2,1,0.395,50,243,404.384,3.586,5,0.455,0.72,0.998,0.12807552600918373,0.23061304913988076,0.7085103831128778,0.6157819888972654,0.4207452367898019
EOS-2-43735,CCn1cncc1-c1cc(-c2nnc3cncc(-c4cc(F)cc(F)c4)n23)cnn1,ZLPROISSLKFDDN-UHFFFAOYSA-N,2,1,0.338,50,844,404.384,3.41,5,0.456,0.74,1.0,0.1584024398601878,0.21520971831951202,0.6014238229045302,0.6478308546364198,0.40571670893016243
EOS-2-43736,FC(F)Cn1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cn1,ZMSAQSGALLHSFX-UHFFFAOYSA-N,2,1,0.338,50,478,404.384,3.377,5,0.446,0.76,1.0,0.1389212528270852,0.1747909670344733,0.6823212939483243,0.6534764580906038,0.41237749297512166
EOS-2-43737,Cc1ccc(-c2nnc3cncc(-c4nnn(Cc5ccc(F)cc5F)n4)n23)cc1,AQJAMGCHWFUAEO-UHFFFAOYSA-N,2,1,0.349,22,221,404.384,3.08,5,0.458,0.83,1.0,0.34075800150777874,0.4184514426701391,0.41607840449592215,0.5568501130834076,0.4330344904393119
EOS-2-43738,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)nn1,JADTWYXXBHPCKW-UHFFFAOYSA-N,2,1,0.38,61,336,404.384,3.586,5,0.455,0.73,1.0,0.0868086491672949,0.17016482763347268,0.7162463162223288,0.6649561373449386,0.40954398259200875
EOS-2-43739,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)cc1F,ZNPUPSJNLLWOTC-UHFFFAOYSA-N,2,1,0.615,59,96,404.38,3.834,5,0.445,0.77,1.0,0.7920207662257556,0.6546072921664039,0.9217154410252896,0.9012576245630869,0.817400280995134
EOS-2-43740,COc1cc(-c2cn[nH]c2)ccc1-c1cncc2nnc(-c3ccc(F)c(F)c3)n12,UPVQVGJDKRZEAE-UHFFFAOYSA-N,2,1,0.372,96,46,404.38,4.135,5,0.487,0.77,1.0,0.5294102528956206,0.5877253101226784,0.9343173874306079,0.9126430676444384,0.7410240045233363
EOS-2-43741,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5cc(F)cc(F)c5)n34)cc2)n1,KGWFNANZWNBCGF-UHFFFAOYSA-N,2,1,0.551,13,15,404.38,4.262,5,0.448,0.81,1.0,0.534507573161538,0.6546158590912207,0.8717360016448495,0.8544822150640806,0.7288354122404223
EOS-2-43742,Fc1cccc(F)c1-c1nnc2cncc(OCc3ccc(-n4cccn4)cc3)n12,WHTNHBGHPSWHRX-UHFFFAOYSA-N,2,1,0.538,34,671,404.38,3.834,5,0.445,0.81,1.0,0.5186673291755192,0.49392605030498254,0.8543108765677473,0.8457696525255294,0.6781684771434446
EOS-2-43743,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5cccc(F)c5)n34)cc2F)cn1,XUSZVQNNAOROIO-UHFFFAOYSA-N,2,1,0.61,13,15,404.38,4.262,5,0.448,0.77,1.0,0.5214001781920362,0.62517990542115,0.8997755465698033,0.8892296621204853,0.7338963230758687
EOS-2-43744,Fc1cccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)c1F,ACMIURQCFLQKPO-UHFFFAOYSA-N,2,1,0.55,43,96,404.38,3.834,5,0.445,0.81,1.0,0.5186758961003358,0.5492084161469399,0.8809797135220341,0.8628435336851484,0.7029268898636146
EOS-2-43745,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)c1,FTMSPNNDGDDTAK-UHFFFAOYSA-N,2,1,0.561,43,178,404.38,4.039,5,0.478,0.68,1.0,0.9446490987595093,0.8610616133232815,0.9311733260228908,0.9244140223425399,0.9153245151120554
EOS-2-43746,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)cc2)n1,DRXSFXMGARTSGR-UHFFFAOYSA-N,2,1,0.676,13,15,404.38,4.262,5,0.448,0.8,1.0,0.6853025837845247,0.6983842779795765,0.8901805907751353,0.8676495785072991,0.7853792577616339
EOS-2-43747,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5cc(F)ccc5F)n34)cc2)n1,OTKLSCJQYCMIGV-UHFFFAOYSA-N,2,1,0.543,13,15,404.38,4.262,5,0.448,0.76,1.0,0.5393735864574053,0.7081762730450277,0.8782040298814338,0.8560585292303474,0.7454531046535535
EOS-2-43748,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)c(F)c1,DUIKMXDTSXHIAI-UHFFFAOYSA-N,2,1,0.577,43,146,404.38,3.834,5,0.445,0.79,1.0,0.5214087451168529,0.6112757864436982,0.8782125968062504,0.8676581454321157,0.7196388184497293
EOS-2-43749,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)cc1,LCDMHZNWQLHZFM-UHFFFAOYSA-N,2,1,0.544,13,15,404.38,4.262,5,0.448,0.81,1.0,0.7339198821191145,0.6933212254129257,0.8915170310465356,0.8766020149407169,0.7988400383798231
EOS-2-43750,Cn1nc(-c2ccc(O)c(F)c2)cc1-c1cncc2nnc(-c3cccc(F)c3)n12,KOWUNKGGDXXJPG-UHFFFAOYSA-N,2,1,0.434,45,730,404.38,3.843,5,0.494,0.76,1.0,0.21121753135494484,0.4044445205948873,0.8333304776917277,0.8493591940237133,0.5745879309163183
EOS-2-43751,Fc1ccc(-c2nnc3cncc(OCc4cnn(-c5ccccc5)c4)n23)c(F)c1,SFUQGOUYWKACKN-UHFFFAOYSA-N,2,1,0.566,34,146,404.38,3.834,5,0.445,0.75,1.0,0.4663919539442122,0.5924371187718457,0.8204886573915428,0.8301435816599273,0.677365327941882
EOS-2-43752,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cc2)cn1,RTCLABNKSUEZQQ-UHFFFAOYSA-N,2,1,0.571,13,15,404.38,4.262,5,0.448,0.79,1.0,0.5687495716537592,0.6835549311219244,0.9159327667740388,0.8961174696730861,0.7660886848057021
EOS-2-43753,Fc1ccc(F)c(-c2nnc3cncc(OCc4ccnn4-c4ccccc4)n23)c1,KIVUOUXYRGVADP-UHFFFAOYSA-N,2,1,0.488,34,612,404.38,3.834,5,0.445,0.79,1.0,0.4244996915907066,0.47139503803714616,0.7703121787403193,0.792037900075389,0.6145612021108903
EOS-2-43754,Cn1nc(-c2ccc(F)cc2)cc1Oc1cncc2nnc(-c3cccc(F)c3)n12,CINFUBLJZPTTPZ-UHFFFAOYSA-N,2,1,0.512,34,417,404.38,4.262,5,0.448,0.82,1.0,0.5714909875950929,0.6885580152148585,0.8114505517099582,0.8220649715578096,0.7233911315194297
EOS-2-43755,OCc1cc(F)ccc1-c1nnc2cncc(-c3cnn(-c4ccc(F)cc4)c3)n12,HPYDIKDSSXHPCQ-UHFFFAOYSA-N,2,1,0.357,45,46,404.38,3.415,5,0.497,0.7,0.887,0.05888904118977452,0.3076468370913577,0.8938643684463026,0.9070145980398876,0.5418537111918306
EOS-2-43756,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cc(F)cc(F)c5)n34)cc2)cn1,YWCLBVMFEUUBQK-UHFFFAOYSA-N,2,1,0.573,13,15,404.38,4.262,5,0.448,0.76,1.0,0.5135443081351518,0.6349890343362347,0.9020457816462203,0.885134672058118,0.7339284490439312
EOS-2-43757,Fc1ccc(-c2nnc3cncc(OCc4ccnn4-c4ccccc4)n23)cc1F,XDNVIHAVGCOXBE-UHFFFAOYSA-N,2,1,0.593,43,612,404.38,3.834,5,0.445,0.71,1.0,0.5186844630251525,0.629848879446234,0.8070043177301076,0.8117760948529916,0.6918284387636214
EOS-2-43758,Cn1nc(-c2ccc(F)c(F)c2)cc1Oc1cncc2nnc(-c3ccccc3)n12,HFOORTBUOAXYKX-UHFFFAOYSA-N,2,1,0.525,43,417,404.38,4.262,5,0.448,0.79,1.0,0.6485419093962032,0.6591563292440545,0.8133781097937085,0.8052480981426907,0.7315811116441642
EOS-2-43759,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)cc2)cn1,BLEKVSAPARPOGT-UHFFFAOYSA-N,2,1,0.704,13,15,404.38,4.262,5,0.448,0.78,1.0,0.6114985264889315,0.6689311904598725,0.9169265300527722,0.8961260365979028,0.7733705708998698
EOS-2-43760,COc1cc(F)ccc1-c1nnc2cncc(-c3cnn(-c4ccc(F)cc4)c3)n12,ATLMQBBPLZSNGX-UHFFFAOYSA-N,2,1,0.371,45,46,404.38,3.931,5,0.454,0.77,1.0,0.07594578849976012,0.3319340689466109,0.8703395928997327,0.8596309368788979,0.5344625968062504
EOS-2-43761,OCc1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5F)c4)n23)cc1,IMPXATRJJYYLOJ-UHFFFAOYSA-N,2,1,0.34,96,46,404.38,3.415,5,0.497,0.82,1.0,0.10658111164416421,0.3419059694332123,0.9121804537043383,0.9081282982660545,0.5671989582619423
EOS-2-43762,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c1,LPXQONVKFIEPQV-UHFFFAOYSA-N,2,1,0.582,57,951,404.376,4.909,5,0.417,0.83,1.0,0.9701956685628127,0.8805256665067507,0.94978925364951,0.9458142005345761,0.9365811973134123
EOS-2-43763,Cn1ncnc1COc1cncc2nnc(-c3ccc(-c4cnc(F)nc4)nc3)n12,BHQVDCLJSURTDW-UHFFFAOYSA-N,2,1,0.416,51,434,404.369,1.49,5,0.401,0.64,1.0,0.46640052086902883,0.46294805016791174,0.0952470701117127,0.08067473099856076,0.2763175930368035
EOS-2-43764,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)cn5)n34)nn2)cn1,RDXXNZXITHMMJY-UHFFFAOYSA-N,2,1,0.396,53,44,404.369,1.49,5,0.429,0.67,0.888,0.3186296347063258,0.297606401206223,0.13677952162291823,0.11734116921389898,0.21758918168734154
EOS-2-43765,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5cnc(F)nc5)n34)cn2)n1,FRIYRWGBXLUGSU-UHFFFAOYSA-N,2,1,0.44,55,434,404.369,1.788,5,0.435,0.73,1.0,0.6170841614693989,0.5492169830717566,0.14278493591940236,0.1057072853128641,0.3536983414433555
EOS-2-43766,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccnc(F)c5)n34)n2)nn1,OHJVESSRAXMHLX-UHFFFAOYSA-N,2,1,0.451,7,94,404.369,1.49,5,0.401,0.58,1.0,0.30045062024535674,0.27680590775135355,0.12772428209170036,0.12629360564731684,0.2078186039339319
EOS-2-43767,COc1cc(F)ccc1-c1nnc2cncc(-c3cnc(-c4nnn(C)n4)cn3)n12,GMXCUNHMULQHTD-UHFFFAOYSA-N,2,1,0.369,50,985,404.369,1.586,5,0.439,0.63,1.0,0.26006613665958467,0.3179614145706257,0.08847919950654513,0.09939346172297991,0.19147505311493387
EOS-2-43768,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)nc1,BILUPZZDZVQHFO-UHFFFAOYSA-N,2,1,0.457,92,728,404.369,1.49,5,0.429,0.69,1.0,0.3977880200123364,0.39470392707833596,0.0929854019601124,0.11011925159344801,0.2488991501610582
EOS-2-43769,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nn2)n1,XKOQKCYWXYPSFX-UHFFFAOYSA-N,2,1,0.549,36,404,404.369,1.49,5,0.429,0.71,1.0,0.5944674799533959,0.5674816667808923,0.07030018504557604,0.10146665752861353,0.33342899732711945
EOS-2-43770,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)cn4)n23)cc1,XTPPDUZOOLJSGN-UHFFFAOYSA-N,2,1,0.524,36,447,404.369,1.49,5,0.429,0.68,1.0,0.4911417997395655,0.44064834487012544,0.11081317250359811,0.11507093413748201,0.2894185628126928
EOS-2-43771,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnccn4)n23)c(F)c1,FUUMFIXJWONSIU-UHFFFAOYSA-N,2,1,0.494,36,728,404.369,1.49,5,0.429,0.74,1.0,0.46640908779384554,0.4987492289767665,0.12251559180316633,0.13946096909053526,0.3067837194160784
EOS-2-43772,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)nn1,WWQMUYKTNJTKLV-UHFFFAOYSA-N,2,1,0.518,36,6,404.369,1.788,5,0.465,0.73,1.0,0.5999760126105134,0.6394524021657186,0.1838719073401412,0.1785175793297238,0.40045447536152423
EOS-2-43773,Cn1nnnc1COc1cncc2nnc(-c3ccc(-c4cncnc4)cc3F)n12,FAYIBYYQUYNRFH-UHFFFAOYSA-N,2,1,0.443,36,728,404.369,1.49,5,0.429,0.7,1.0,0.47107806181892947,0.5214001781920362,0.10822596120896442,0.1542217805496539,0.31373149544239604
EOS-2-43774,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nn5)n34)cc2)n1,IERKMWGDZHOYTK-UHFFFAOYSA-N,2,1,0.524,36,447,404.369,1.49,5,0.429,0.64,1.0,0.5161400863546022,0.4495579466794599,0.10284593242409705,0.09940202864779658,0.29198649852648895
EOS-2-43775,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nn4)n23)cn1,LPTSUUGRZRTZFW-UHFFFAOYSA-N,2,1,0.44,92,617,404.369,1.49,5,0.429,0.54,1.0,0.3753255431430334,0.4090021245973545,0.11675861832636557,0.11012781851826468,0.2528035261462545
EOS-2-43776,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)n4)n23)nc1,IDIJVAJHGFJLEO-UHFFFAOYSA-N,2,1,0.436,36,728,404.369,1.49,5,0.401,0.68,1.0,0.39779658693715303,0.385108971283668,0.08116304571311082,0.09337948050167912,0.23936202110890276
EOS-2-43777,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cc2)o1,XQLFFXHBFNCLNA-UHFFFAOYSA-N,2,1,0.529,43,992,404.365,2.367,5,0.43,0.63,1.0,0.7002433006647933,0.427352477554657,0.4668631348091289,0.36506236721266533,0.4898803200603112
EOS-2-43778,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)o1,NYCHGVCKQPPDEO-UHFFFAOYSA-N,2,1,0.472,55,283,404.365,2.658,5,0.436,0.75,1.0,0.6575286135288877,0.5441710643547393,0.24683023781783292,0.22692927146871358,0.4188647967925434
EOS-2-43779,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)no1,AUKPETPZPJELMG-UHFFFAOYSA-N,2,1,0.404,46,238,404.365,2.658,5,0.407,0.64,0.742,0.41529881433760535,0.3758738263313001,0.2720341306284696,0.23280618189294772,0.32400323829758065
EOS-2-43780,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)ccn1,NIZAOAKGEOSDTD-UHFFFAOYSA-N,2,1,0.522,65,578,404.365,2.392,5,0.393,0.72,1.0,0.6609039819066548,0.6443783839353026,0.3052480981426907,0.2772770886162703,0.47195188815022954
EOS-2-43781,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccccc5F)n34)nn2)no1,IJEXGDIEQSXCIR-UHFFFAOYSA-N,2,1,0.524,4,820,404.365,2.658,5,0.436,0.67,1.0,0.5345161400863546,0.5924456856966623,0.13065417037900076,0.15963607703378796,0.3543130182989514
EOS-2-43782,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)o1,PNXXHHFNCGUYPN-UHFFFAOYSA-N,2,1,0.438,2,142,404.365,2.658,5,0.436,0.77,1.0,0.5885306010554452,0.48923994243026525,0.32721369337262696,0.28908231101363857,0.4235166369679939
EOS-2-43783,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)c1,BQOJRKHQBCOFGJ-UHFFFAOYSA-N,2,1,0.527,65,981,404.365,2.392,5,0.42,0.72,1.0,0.7977434720032897,0.6546244260160373,0.2835480775820711,0.277285655541087,0.5033004077856214
EOS-2-43784,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCc4cnco4)n23)n1,INLCAVVWDCZFLA-UHFFFAOYSA-N,2,1,0.429,46,62,404.365,2.658,5,0.407,0.69,1.0,0.6575371804537044,0.4939346172297992,0.2685473922280858,0.22693783839353027,0.41173925707627995
EOS-2-43785,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)cn1,PZMVCDFJPYAXRP-UHFFFAOYSA-N,2,1,0.461,18,773,404.365,2.392,5,0.393,0.69,1.0,0.7367898019326983,0.5492255499965732,0.28724042217805495,0.26244774175861835,0.4589258789664862
EOS-2-43786,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)c1,SXYUZJWYGPECFU-UHFFFAOYSA-N,2,1,0.446,18,773,404.365,2.392,5,0.42,0.74,1.0,0.6971677746556096,0.5303440477006374,0.279710095264204,0.2740987595092865,0.44533016928243435
EOS-2-43787,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cn3)n12,SBRZVVDEUNIPAH-UHFFFAOYSA-N,2,1,0.446,54,699,404.365,2.392,5,0.42,0.68,1.0,0.5825937221574944,0.49394318415461586,0.19044273867452538,0.20050887533411008,0.3668721300801864
EOS-2-43788,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)n1,GKYZZADXPIPJIS-UHFFFAOYSA-N,2,1,0.427,58,954,404.365,2.392,5,0.393,0.71,1.0,0.5856863820163114,0.5031783291069838,0.20437255842642724,0.20361866904256049,0.37421398464807076
EOS-2-43789,Fc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1ncno1,OTBIHNBUMZPLFA-UHFFFAOYSA-N,2,1,0.585,65,361,404.365,2.392,5,0.42,0.66,1.0,0.8507641696936468,0.7218919196765129,0.3608988417517648,0.342300047974779,0.5689637447741759
EOS-2-43790,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)n1,NRMPNFJKKYGPRM-UHFFFAOYSA-N,2,1,0.474,58,954,404.365,2.392,5,0.393,0.7,0.999,0.54992803783154,0.577367898019327,0.2115173737235282,0.20656569117949422,0.3863447501884723
EOS-2-43791,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)c1,ALYGPYAYSYOIPD-UHFFFAOYSA-N,2,1,0.505,87,304,404.365,2.392,5,0.42,0.75,0.989,0.582602289082311,0.6016037283256802,0.23984819409224864,0.24162154752929887,0.41641893975738464
EOS-2-43792,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cocn5)n34)ncn2)c1,SOIDCHGLNBJDMN-UHFFFAOYSA-N,2,1,0.5,18,194,404.365,2.392,5,0.42,0.64,0.758,0.5574669316702077,0.38511753820848466,0.24330923171818244,0.25017133849633333,0.359016260023302
EOS-2-43793,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cn2)o1,JWPFUPPNOGTPAD-UHFFFAOYSA-N,2,1,0.449,55,617,404.365,2.658,5,0.407,0.73,1.0,0.6253426769926667,0.5773764649441436,0.26132547460763483,0.2237595092865465,0.4219510314577479
EOS-2-43794,Fc1nc(-c2nnc3cncc(OCCc4cnco4)n23)ccc1-c1cncnc1,MLDQNEGAEKANMK-UHFFFAOYSA-N,2,1,0.433,18,773,404.365,2.392,5,0.393,0.67,1.0,0.6730775820711398,0.49875779590158315,0.2942995682269892,0.27410732643410324,0.43506056815845384
EOS-2-43795,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)c1,IEHLATQWUYFISJ-UHFFFAOYSA-N,2,1,0.457,87,367,404.365,2.392,5,0.42,0.72,1.0,0.6059128915084642,0.5119508601192516,0.23268624494551435,0.2387944623397985,0.39733611472825714
EOS-2-43796,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)nn5)ccn4)n23)no1,GRHYVIBOAVFLMQ-UHFFFAOYSA-N,2,1,0.433,46,88,404.365,2.658,5,0.436,0.61,1.0,0.37069940374203275,0.33683434994174494,0.23269481187033103,0.19755328627235968,0.2844454629566171
EOS-2-43797,Cc1ccnc(COc2cncc3nnc(-c4ccc(F)c(-c5cnno5)c4)n23)n1,CGHQGHVQJLFKPO-UHFFFAOYSA-N,2,1,0.477,16,394,404.365,2.658,5,0.436,0.68,1.0,0.6310311150709341,0.6064440408470976,0.3235898841751765,0.29504489068603934,0.46402748269481187
EOS-2-43798,Cc1nc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)n2)no1,AURGEVFDSKZBNH-UHFFFAOYSA-N,2,1,0.542,73,335,404.365,2.658,5,0.436,0.72,1.0,0.7187392913439792,0.7265437598519635,0.12502570077445,0.14906449181001988,0.42984331094510314
EOS-2-43799,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cn2)no1,DBANDJKNPLVBGG-UHFFFAOYSA-N,2,1,0.57,7,156,404.365,2.658,5,0.436,0.71,1.0,0.6853111507093413,0.7081848399698444,0.1707730792954561,0.19233602905900898,0.4391512747584127
EOS-2-43800,COc1cc(F)ccc1-c1nnc2cncc(-c3cnc(-c4nc(C)no4)cn3)n12,IBVBGKJYBBILPU-UHFFFAOYSA-N,2,1,0.405,50,845,404.365,2.754,5,0.445,0.72,1.0,0.579638133095744,0.5119594270440683,0.20797066684942772,0.1895346446439586,0.3722757179082996
EOS-2-43801,Cc1nc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1nnco1,ZKXGWKNCCRNYRD-UHFFFAOYSA-N,2,1,0.477,53,122,404.365,2.658,5,0.436,0.63,0.999,0.4811613323281475,0.445094578849976,0.22521588650538002,0.21268247549859504,0.3410385682955246
EOS-2-43802,Fc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1nnco1,RQZGXQFWEHKDTN-UHFFFAOYSA-N,2,1,0.529,20,846,404.365,2.392,5,0.42,0.69,1.0,0.7547803440477007,0.6689397573846891,0.27971866218902064,0.2741158933589199,0.4943886642450826
EOS-2-43803,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)nc1,BBQKYIOTBWOLSI-UHFFFAOYSA-N,2,1,0.462,87,367,404.365,2.392,5,0.42,0.63,1.0,0.6115070934137482,0.5214087451168529,0.22895963265026387,0.22694640531834692,0.397205469124803
EOS-2-43804,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)n5)nc4)n23)c(F)c1,REACUECABHVNMX-UHFFFAOYSA-N,2,1,0.386,45,140,404.355,4.333,5,0.419,0.78,0.999,0.36154992803783154,0.6983928449043931,0.9197107806181893,0.935037009115208,0.7286726406689055
EOS-2-43805,Fc1ccc(F)c(-c2ccc(-c3nnc4cncc(-c5ccncn5)n34)c(F)c2)c1,UJKWRESSLONIBH-UHFFFAOYSA-N,2,1,0.355,45,730,404.355,4.333,5,0.448,0.76,1.0,0.40633781097937083,0.6493472003289699,0.9535415667192104,0.9644386950860119,0.7434163182783907
EOS-2-43806,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)cn2)ccn1,LQLAESHSAZKESF-UHFFFAOYSA-N,2,1,0.367,45,46,404.355,4.333,5,0.419,0.79,1.0,0.4500890960180933,0.6933297923377424,0.9535501336440272,0.9583990130902611,0.7638420087725311
EOS-2-43807,Fc1ccc(-c2cncc3nnc(-c4ccc(-c5cnnc(F)c5)c(F)c4)n23)cc1,PZBUFPRMJSBOKO-UHFFFAOYSA-N,2,1,0.408,45,558,404.355,4.333,5,0.448,0.76,1.0,0.4084795421835378,0.7032674251250771,0.9543040230278939,0.9664262216434789,0.7581193029949969
EOS-2-43808,O=C(O)Cn1cc(Oc2cncc3nnc(-c4ccc(-c5ccoc5)nc4)n23)nn1,CODRAWZAJPCHLI-UHFFFAOYSA-N,2,1,0.348,92,36,404.346,1.915,5,0.445,0.66,1.0,0.1503152628332534,0.10579295456103077,0.05067336029059009,0.03186896031800425,0.08466263450071962
EOS-2-43809,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)c(F)c1,NCMFIJICCVIPHL-UHFFFAOYSA-N,2,1,0.404,46,971,404.34,3.109,5,0.45,0.78,1.0,0.657545747378521,0.5584007264752244,0.6252827085189501,0.6364711123295183,0.6194250736755534
EOS-2-43810,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5cncnc5)nn4)n23)cc1F,RMRSUGINIZKBNH-UHFFFAOYSA-N,2,1,0.453,13,706,404.34,3.109,5,0.45,0.76,1.0,0.8163593996299089,0.8004077856212733,0.7085189500376945,0.6941607840449592,0.754861729833459
EOS-2-43811,Cc1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)c(F)c4)n23)nn1,NXDXWUZWUYGCCM-UHFFFAOYSA-N,2,1,0.55,66,12,404.327,3.627,4,0.484,0.74,1.0,0.8367229799191283,0.8914484956480022,0.9726286752107464,0.9265557535467068,0.9068389760811459
EOS-2-43812,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,NBRRXESALWAYGC-UHFFFAOYSA-N,2,1,0.775,48,17,404.323,4.25,4,0.45,0.82,1.0,0.9979696388184497,0.9929579878006991,0.990662051949832,0.9887944623397985,0.9925960352271948
EOS-2-43813,Fc1cccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1F,SXDPXYMZZKMEHT-UHFFFAOYSA-N,2,1,0.767,48,17,404.323,4.25,4,0.45,0.81,1.0,0.9986978274278665,0.9947656089370159,0.9910218627921321,0.9882547460763484,0.9931850113083407
EOS-2-43817,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F,DLFRKNGDBFKJNG-UHFFFAOYSA-N,2,1,1.0,48,17,404.323,4.25,4,0.45,0.81,1.0,0.9999914330751833,0.9982951819614831,0.9918871221986156,0.9895226509492153,0.9949240970461244
EOS-2-43819,Fc1ccccc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3F)n12,NOFGDAMMRIRZMC-UHFFFAOYSA-N,2,1,0.685,48,17,404.323,4.25,4,0.45,0.82,1.0,0.9891971078061819,0.987646494414365,0.9887344938660818,0.9866441642108149,0.9880555650743609
EOS-2-43820,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(F)c1,YFPIDYAPTFIHAC-UHFFFAOYSA-N,2,1,0.826,48,17,404.323,4.25,4,0.45,0.85,1.0,0.9994431498869166,0.9929665547255158,0.9906706188746488,0.9885545884449318,0.9929087279830031
EOS-2-43821,Clc1nccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)nc2)n1,SVZRNTGSCKBFRK-UHFFFAOYSA-N,2,1,0.462,46,162,495.728,4.033,5,0.337,0.76,0.997,0.5242358303063532,0.6443869508601192,0.47034130628469606,0.4783599479130971,0.5293310088410664
EOS-2-43822,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nn4)n23)c(Br)c1,MWMIQQYEEPDUAM-UHFFFAOYSA-N,2,1,0.529,4,10,495.728,4.033,5,0.36,0.69,1.0,0.6226012610513331,0.8780583921595504,0.48422829141251456,0.559857103694058,0.6361862620793639
EOS-2-43823,COC(F)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cn1,WSAPALITBXTSEY-UHFFFAOYSA-N,2,1,0.391,22,861,404.232,4.775,4,0.49,0.7,1.0,0.539382153382222,0.740584949626482,0.9778287985744637,0.9803046398464808,0.809525135357412
EOS-2-43824,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,SZGGAYLQWWQLOQ-UHFFFAOYSA-N,2,1,0.764,23,281,404.232,4.254,4,0.466,0.83,1.0,0.9772119799876636,0.987389486669865,0.9092934000411212,0.944246453293126,0.9545353299979439
EOS-2-43825,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)n1,NNYGDVPAEUAPIK-UHFFFAOYSA-N,2,1,0.671,23,400,404.232,4.254,4,0.466,0.74,1.0,0.9427044068261257,0.9769806730176136,0.8513552875059969,0.9135682955246385,0.9211521657185937
EOS-2-43826,Cn1nc(-c2ccc(Br)cc2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,NQHVNTIQKKRWGQ-UHFFFAOYSA-N,2,1,0.6,34,372,495.768,5.187,5,0.336,0.79,1.0,0.7367983688575149,0.917603317113289,0.7585326571174011,0.8030463984648071,0.803995185388253
EOS-2-43827,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,JDJMFWWBAPLFBV-UHFFFAOYSA-N,2,1,0.775,23,281,404.232,4.254,4,0.466,0.84,1.0,0.9745733671441299,0.9864471249400315,0.9042646151737372,0.9393376053731752,0.9511556781577685
EOS-2-43828,Fc1cc(CCOc2cncc3nnc(-c4cncc(Cl)c4)n23)ccc1Cl,BQWKMXYKNGHIQW-UHFFFAOYSA-N,2,1,0.743,23,281,404.232,4.254,4,0.498,0.81,1.0,0.9378383935302583,0.9300253580974573,0.9252964155986567,0.9526420396134604,0.9364505517099583
EOS-2-43830,Fc1cccc(Cl)c1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,RMOGRWGEPKTXMK-UHFFFAOYSA-N,2,1,0.635,23,281,404.232,4.254,4,0.466,0.78,1.0,0.9081968336645878,0.9268298951408402,0.8809882804468508,0.9285432801041738,0.9111395723391131
EOS-2-43831,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5Cl)n34)c2)cc1,PNDAJHCIXHHRRU-UHFFFAOYSA-N,2,1,0.633,57,23,495.797,7.04,5,0.253,0.76,1.0,0.9633249948598451,0.9838856144198479,0.9754300596257968,0.9905506819272154,0.9782978377081762
EOS-2-43832,COc1ncc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)c(F)c5F)n34)n2)cn1,DZBBSYJRLKPSRS-UHFFFAOYSA-N,2,1,0.484,84,141,495.877,4.205,5,0.31,0.54,1.0,0.7781680487972038,0.9006408059762867,0.7060945103145775,0.6478394215612364,0.758185696662326
EOS-2-43833,CCOc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)n4)n23)ccc1-c1cncc(F)c1,CFSITQWHBBQMJD-UHFFFAOYSA-N,2,1,0.4,46,71,495.877,4.553,5,0.303,0.65,0.413,0.6454835172366528,0.6885665821396751,0.7061030772393941,0.6768041943663903,0.6792393427455281
EOS-2-43834,Cn1nc(-c2cc(F)c(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)cn2)ccc1=O,IAILSNRLPKGKAD-UHFFFAOYSA-N,2,1,0.489,88,672,495.877,3.5,5,0.355,0.6,0.969,0.6030686724693304,0.5628726612295251,0.6684857103694058,0.7215406757590296,0.6389919299568227
EOS-2-43835,FC(F)Oc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)c1,IYWCOSXOQYNHIN-UHFFFAOYSA-N,2,1,0.5,11,846,495.877,4.52,5,0.31,0.69,1.0,0.8708621753135495,0.9376327873346584,0.8012644781029402,0.7943852374751559,0.851036169556576
EOS-2-43836,CCOc1nc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1-c1cncc(Cl)c1,HTZZGOVLFUOMPQ-UHFFFAOYSA-N,2,1,0.38,46,89,495.877,4.553,5,0.303,0.7,0.832,0.7751010897128366,0.7265523267767802,0.7610598999383181,0.7161435131245288,0.7447142073881159
EOS-2-43837,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nc2F)ccc1=O,OJBDCPXIQNMMAA-UHFFFAOYSA-N,2,1,0.562,19,442,495.877,3.5,5,0.332,0.7,0.994,0.6545473236926873,0.5492341169213899,0.6684942772942225,0.694169350969776,0.6416112672195189
EOS-2-43838,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1-c1ncc(F)cn1,ZLDSLCUKJFSBLM-UHFFFAOYSA-N,2,1,0.581,49,308,495.877,4.205,5,0.331,0.71,1.0,0.9262987458022068,0.8240182304160099,0.6547443629634706,0.6301915564389007,0.7588132239051469
EOS-2-43839,COc1nc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)ccc1-c1ncc(F)cn1,XETYAAMGOZMOCY-UHFFFAOYSA-N,2,1,0.468,49,896,495.877,4.205,5,0.331,0.71,0.998,0.8918854088136523,0.804699814954424,0.6014323898293469,0.6032657117401138,0.7253208313343843
EOS-2-43840,COc1nccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)nc2F)n1,BBSRAPUXWJVNJE-UHFFFAOYSA-N,2,1,0.444,44,442,495.877,4.205,5,0.31,0.61,1.0,0.7781766157220205,0.7710575011993694,0.6876242204098417,0.6622575560276883,0.72477897333973
EOS-2-43841,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1ncc(F)cn1,ISCRVMPTIPUDFL-UHFFFAOYSA-N,2,1,0.581,49,308,495.877,4.205,5,0.331,0.69,1.0,0.9275580837502571,0.8240267973408265,0.6547529298882873,0.6302001233637173,0.759134483585772
EOS-2-43842,FC(F)(F)c1cc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)ccc1Cl,GQLNGWKCNFOMSG-UHFFFAOYSA-N,2,1,0.624,57,640,495.892,6.147,5,0.283,0.78,1.0,0.9427129737509423,0.9580734699472278,0.9887430607908985,0.9803132067712974,0.9674606778150916
EOS-2-43843,Clc1nccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)nn5)n34)cc2)n1,AFNPVASFCRYXAV-UHFFFAOYSA-N,2,1,0.417,56,197,495.894,3.123,6,0.314,0.65,1.0,0.6367880885477349,0.6933383592625592,0.2433177986429991,0.2655746693167021,0.4597547289424988
EOS-2-43844,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cn2)cn1,OGBYWXTZZUPFEU-UHFFFAOYSA-N,2,1,0.384,80,277,495.894,3.123,6,0.336,0.63,1.0,0.4985864574052498,0.6737972037557398,0.27619765608937014,0.28018984305393735,0.4321927900760743
EOS-2-43845,FC(F)(F)c1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)s1,HOXQKFSVNDZJAC-UHFFFAOYSA-N,2,1,0.462,27,52,495.899,5.018,5,0.338,0.67,0.999,0.6575543143033377,0.8382735933109451,0.7085275169625112,0.6273559043245837,0.7079278322253444
EOS-2-43846,Fc1cccc(-c2ncc(Cl)cc2Oc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,RUJXYMCKDQUKIR-UHFFFAOYSA-N,2,1,0.473,41,696,495.905,5.895,6,0.294,0.68,1.0,0.8708707422383661,0.9076913851004044,0.8822647522445343,0.8961346035227195,0.8892403707765061
EOS-2-43847,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccc(F)c(Cl)c6)n5)n34)cc2)nn1,DZEUUTNJVYGBAM-UHFFFAOYSA-N,2,1,0.33,3,186,495.909,4.868,6,0.341,0.69,1.0,0.35220341306284697,0.5584092934000411,0.6685028442190392,0.7240336508806798,0.5757873003906517
EOS-2-43848,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nc6)cc5)n34)cc2)cc1F,WDWYTPNUUKLDLZ-UHFFFAOYSA-N,2,1,0.37,21,958,495.92,7.119,6,0.244,0.79,1.0,0.45009766294291004,0.7265608937015968,0.9860958810225482,0.991904256048249,0.7886646734288261
EOS-2-43849,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)n1CCF,YKPFMMPOKJQWGA-UHFFFAOYSA-N,2,1,0.5,37,619,495.921,4.742,5,0.309,0.6,1.0,0.7489891028716332,0.6639966417654719,0.6133918168734152,0.6420738811596189,0.6671128606675348
EOS-2-43850,O=C(O)Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccc2F)cn1,AOTCKFWLHTYYGE-UHFFFAOYSA-N,2,1,0.495,4,31,495.923,4.913,5,0.342,0.7,1.0,0.6253512439174834,0.5628812281543417,0.7293794119662805,0.6941779178945926,0.6529474504831746
EOS-2-43851,Cc1nnc(-c2ccccc2COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)o1,ZBNFGAZGKVHYMR-UHFFFAOYSA-N,2,1,0.495,77,323,495.93,5.444,6,0.3,0.73,1.0,0.8572750325543143,0.7581642793502844,0.6014409567541635,0.6066068124186142,0.7058717702693441
EOS-2-43852,Cc1ocnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccccn5)c4)n23)cn1,SKBNJYUXIBPAKV-UHFFFAOYSA-N,2,1,0.5,28,942,495.93,5.444,6,0.3,0.59,1.0,0.8863511753820849,0.8382821602357617,0.6252912754437667,0.6096737715029813,0.7398995956411487
EOS-2-43853,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cccc(C)n4)cc3Cl)n12,HKDSYPVEBQJEFW-UHFFFAOYSA-N,2,1,0.318,3,923,495.93,5.541,6,0.307,0.71,1.0,0.4935319717634158,0.530352614625454,0.7162548831471455,0.6590877938455212,0.5998068158453841
EOS-2-43854,Clc1ccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c(-n2cccn2)n1,JUTOSZZDLIWWHF-UHFFFAOYSA-N,2,1,0.547,17,960,495.93,5.397,6,0.274,0.73,1.0,0.5524981152765404,0.5031868960318004,0.6281183606332671,0.6364796792543349,0.5800707627989857
EOS-2-43855,Clc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnc6)cc5)n34)cn2)cc1,GCONDMWGZQMMKL-UHFFFAOYSA-N,2,1,0.511,77,933,495.93,5.397,6,0.293,0.73,1.0,0.5447279144678226,0.5534319100815571,0.8259200877253101,0.7897505311493387,0.6784576108560072
EOS-2-43856,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccncc4-c4cccc(Cl)n4)n23)nc1,DQKOJBXZRYDVDS-UHFFFAOYSA-N,2,1,0.376,6,414,495.934,4.276,6,0.315,0.61,0.999,0.560088410664108,0.4804931121924474,0.5358268795833048,0.5099376327873346,0.5215865088067987
EOS-2-43857,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)cn5)cn4)n23)cc1,IBSNFXUQQSCBCR-UHFFFAOYSA-N,2,1,0.523,67,755,495.934,4.276,6,0.337,0.68,1.0,0.6367966554725516,0.587733877047495,0.4842368583373312,0.4814526077719142,0.547554999657323
EOS-2-43858,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnc6Cl)cc5)n34)nc2)n1,LFTHTWFPELXUGD-UHFFFAOYSA-N,2,1,0.436,40,518,495.934,4.276,6,0.315,0.67,1.0,0.5944760468782126,0.6251884723459666,0.49101329586731546,0.47836851483791376,0.5472615824823521
EOS-2-43859,Cc1cccc(-c2cn(-c3ccc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)cn3)nn2)n1,BWPGXJCETCIJBI-UHFFFAOYSA-N,2,1,0.533,81,177,495.934,4.37,6,0.335,0.73,0.798,0.44757898704680965,0.5970889589472963,0.44561716126379275,0.45683983277362755,0.48678123500788156
EOS-2-43860,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)c1,GSONXWKOKQWPTR-UHFFFAOYSA-N,2,1,0.484,77,177,495.934,4.276,6,0.337,0.75,1.0,0.48870879309163184,0.5441796312795559,0.4703498732095127,0.5568586800082242,0.5150242443972313
EOS-2-43861,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)nc2)cn1,QIDDRFJBMNSSGR-UHFFFAOYSA-N,2,1,0.467,6,868,495.934,4.276,6,0.315,0.66,1.0,0.3912942910013022,0.5259492152696867,0.6046192858611473,0.5468782125968062,0.5171852511822357
EOS-2-43862,Cn1cncc2nc-2cccc1COc1cncc2nnc(-c3ccc(-c4cncnc4)cc3Cl)n12,IANHKIORJXBYEW-UHFFFAOYSA-N,2,1,0.383,78,548,495.934,3.99,6,0.412,0.53,0.001,0.4788739634020972,0.5877424439723117,0.27204269755328625,0.15423034747447056,0.37322236310054147
EOS-2-43863,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)c5)nn4)n23)cc1,LIBJWIBVGVDRCV-UHFFFAOYSA-N,2,1,0.453,81,117,495.934,4.276,6,0.315,0.72,1.0,0.5769995202522102,0.5119679939688849,0.552737989171407,0.5264974984579536,0.542050750462614
EOS-2-43864,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)c(Cl)c2)cn1,ZRWYWZBRZPJTLV-UHFFFAOYSA-N,2,1,0.423,80,277,495.934,4.37,6,0.335,0.65,1.0,0.5061596189431842,0.4939517510794325,0.6165872798300323,0.5632324720718251,0.5449827804811185
EOS-2-43865,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(-c6c[nH]nn6)n5)n34)cn2)cc1,GQQNZBKPFJZCLP-UHFFFAOYSA-N,2,1,0.455,28,801,495.934,4.308,6,0.348,0.54,1.0,0.5826108560071277,0.7710660681241861,0.45635151805907753,0.5168854088136523,0.5817284627510109
EOS-2-43866,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)nc4)n23)cc1,IKIXUXVYNISWAT-UHFFFAOYSA-N,2,1,0.511,67,755,495.934,4.276,6,0.315,0.73,1.0,0.7459649784113495,0.5584178603248577,0.4668717017339456,0.45684839969844426,0.5570257350421493
EOS-2-43867,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)cc1,IQALRHRKSQVFRJ-UHFFFAOYSA-N,2,1,0.57,77,755,495.934,4.276,6,0.337,0.78,1.0,0.7339284490439312,0.6207593722157494,0.49779830032211636,0.5438455212117058,0.5990829106983757
EOS-2-43868,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5nc(-c6ccccc6)c[nH]5)ncn4)n23)ccn1,SLTNMWQCQNBEEC-UHFFFAOYSA-N,2,1,0.451,44,130,495.934,4.308,6,0.325,0.62,0.782,0.6941779178945926,0.5628897950791584,0.40886505380028787,0.4568569666232609,0.5306974333493248
EOS-2-43869,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)cc5)nn4)n23)cc1,RGWNUTNBDIYPOF-UHFFFAOYSA-N,2,1,0.512,67,937,495.934,4.276,6,0.337,0.72,1.0,0.6253598108423001,0.7219004866013295,0.4563600849838942,0.49347200328969915,0.5742730964293058
EOS-2-43870,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)c(Cl)c2)n1,BIPVOHULQMJOEL-UHFFFAOYSA-N,2,1,0.458,40,868,495.934,4.276,6,0.337,0.64,1.0,0.4405626756219587,0.5584264272496745,0.5493968884929066,0.520140840243986,0.5171317079021315
EOS-2-43871,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccc(Cl)cc6)nn5)n34)cc2)n1,BZJLTSDTYOQHBB-UHFFFAOYSA-N,2,1,0.529,67,937,495.934,4.276,6,0.337,0.67,1.0,0.5770080871770269,0.7265694606264136,0.44912960043862654,0.47545576040024673,0.5570407271605784
EOS-2-43872,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(Oc4ccc(-c5cncn5C)cn4)n23)nc1Cl,NONPCQUPUQNRDR-UHFFFAOYSA-N,2,1,0.297,28,318,495.934,4.798,6,0.335,0.5,1.0,0.4429956822698924,0.390009252278802,0.2575388938386677,0.28606675347817145,0.34415264546638336
EOS-2-43873,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)cn4)n23)cc1,PELDDPQKFJSUGX-UHFFFAOYSA-N,2,1,0.536,67,755,495.934,4.276,6,0.315,0.73,1.0,0.5856949489411281,0.5441881982043726,0.5358354465081214,0.5201494071688026,0.5464670002056062
EOS-2-43874,Cn1nnnc1-c1ccccc1COc1cncc2nnc(-c3ccc(Cl)nc3-c3ccccc3)n12,DSBZRWDKXYCTKW-UHFFFAOYSA-N,2,1,0.484,77,897,495.934,4.276,6,0.315,0.61,1.0,0.5574754985950243,0.620767939140566,0.30159002124597356,0.4059008978137208,0.4714335891988212
EOS-2-43875,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccc4)n23)n1,BLQQJJSFHWAQFQ-UHFFFAOYSA-N,2,1,0.412,81,363,495.934,4.276,6,0.315,0.55,0.999,0.5368891782605716,0.5534404770063738,0.33484682338427796,0.37476869302995,0.44998629292029324
EOS-2-43876,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5ccncn5)n4)n23)ccc1Cl,AKAUFDCKIRVZIU-UHFFFAOYSA-N,2,1,0.474,28,247,495.934,4.276,6,0.337,0.6,1.0,0.5972774312932629,0.6885751490644918,0.47035844013432937,0.4538242752381605,0.5525088239325611
EOS-2-43877,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)nc2)cc1Cl,WRPWTQZIMRDSIF-UHFFFAOYSA-N,2,1,0.301,70,314,495.934,4.373,6,0.347,0.73,1.0,0.2276488931533137,0.2664656294976355,0.504694674799534,0.4966760331711329,0.37387130765540405
EOS-2-43878,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5-n5nccn5)n34)cc2)n1,JJAPHMDRNGAYCQ-UHFFFAOYSA-N,2,1,0.5,40,2,495.934,4.37,6,0.335,0.65,1.0,0.5471951888150229,0.5214173120416695,0.497806867246933,0.4905164142279487,0.5142339455828936
EOS-2-43879,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cc(Cl)ccn5)c4)n23)cn1,DOURZEFGKBCFGQ-UHFFFAOYSA-N,2,1,0.457,6,297,495.934,4.276,6,0.337,0.63,1.0,0.654555890617504,0.5773850318689603,0.4529247481324104,0.44099102186279215,0.5314641731204167
EOS-2-43880,Cn1nc(-c2nnc3cncc(OCc4ccncc4-c4cccnc4)n23)cc1-c1cncc(Cl)c1,AJNXNLHVPLCTTK-UHFFFAOYSA-N,2,1,0.388,6,280,495.934,4.276,6,0.337,0.67,0.997,0.3978051538619697,0.38065417037900073,0.5258121444726201,0.5468867795216229,0.4627895620588034
EOS-2-43881,Cn1nc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1-c1ccc(Cl)cc1,BUZNAOYVDGIRGF-UHFFFAOYSA-N,2,1,0.439,81,218,495.934,4.276,6,0.337,0.56,0.411,0.3186382016311425,0.4320214515797409,0.38735350558563497,0.434908505242958,0.3932304160098691
EOS-2-43882,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccc(Cl)c6)nc5)n34)cc2)n1,AOHNWYWQZGNFQJ-UHFFFAOYSA-N,2,1,0.523,77,755,495.934,4.276,6,0.337,0.71,1.0,0.6198427112603659,0.5584349941744912,0.4807843876362141,0.5137242135563018,0.5431965766568433
EOS-2-43883,CC(c1ccccc1)n1nc(-c2cccc(Cl)n2)cc1-c1cncc2nnc(-c3ccc(F)cc3)n12,UPEQPQWVQOFFDR-UHFFFAOYSA-N,2,1,0.373,30,298,495.949,6.119,6,0.269,0.68,0.978,0.1971763415804263,0.4451031457747927,0.8316599273524775,0.8628521006099651,0.5841978788294154
EOS-2-43884,CCNCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)s1,ARJJPAYVPJBGSX-UHFFFAOYSA-N,2,1,0.458,59,183,495.971,4.791,5,0.331,0.77,1.0,0.44057124254677543,0.44511171269960936,0.5120707970666849,0.5338650538002878,0.48290470152833936
EOS-2-43885,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cc1-c1ccccc1,BSQUMKKGJAHAIE-UHFFFAOYSA-N,2,1,0.573,12,47,495.995,6.814,6,0.254,0.77,1.0,0.9302737989171407,0.9316787745870743,0.9008978137207868,0.912651634569255,0.9188755054485642
EOS-2-43886,COc1cc(-c2cncs2)ccc1-c1cncc2nnc(-c3ccc(-c4cccc(Cl)c4)cc3)n12,DDSBRWXUAXSBIA-UHFFFAOYSA-N,2,1,0.375,21,958,495.995,6.911,6,0.26,0.69,1.0,0.419899252964156,0.45831334384209443,0.9093019669659379,0.9092676992666713,0.674195565759715
EOS-2-43887,Clc1cc(-c2nnc3cncc(OCc4cc(Cl)n(Cl)c4Cl)n23)ccc1-c1ncco1,LCONAGARHALTTP-UHFFFAOYSA-N,2,1,0.506,59,89,496.141,5.789,5,0.307,0.61,1.0,0.7459735453361661,0.80041635254609,0.947955931738743,0.9699300938934959,0.8660689808786237
EOS-2-43888,OCc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,MQCNZNSWFSHCRE-UHFFFAOYSA-N,2,1,0.359,22,331,403.833,3.185,5,0.495,0.72,1.0,0.07803611815502708,0.3179699814954424,0.6165958467548489,0.6968165307381262,0.42735461928586116
EOS-2-43889,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,YKJNNQTYMAJFIG-UHFFFAOYSA-N,2,1,0.521,13,412,403.833,4.033,5,0.45,0.77,1.0,0.5368977451853882,0.7265780275512302,0.6371564663148516,0.6333099170721678,0.6334855390309094
EOS-2-43890,Cn1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)c2)n1,IYNUWDUVTULPTK-UHFFFAOYSA-N,2,1,0.512,13,110,403.833,4.033,5,0.45,0.76,1.0,0.3335189500376945,0.3758823932561168,0.5884192310328284,0.6187204441093825,0.4791352546090056
EOS-2-43891,OCc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)nc5)c4)n23)cc1,XLDXLPSUIQBYBX-UHFFFAOYSA-N,2,1,0.354,96,246,403.833,3.185,5,0.463,0.77,1.0,0.02935885134672058,0.2152182852443287,0.7321465286820643,0.7480810088410664,0.431201168528545
EOS-2-43892,Clc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccccc5)n4)n23)cc1,JOPTYXRSLAPRJK-UHFFFAOYSA-N,2,1,0.562,43,612,403.833,3.604,5,0.446,0.8,1.0,0.554879720375574,0.7173857172229456,0.4054211500239874,0.5201579740936193,0.5494611404290316
EOS-2-43893,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,IIITWTSHJVOYQS-UHFFFAOYSA-N,2,1,0.645,43,611,403.833,3.809,5,0.479,0.79,1.0,0.9097817147556713,0.8312915495853609,0.682329860873141,0.7109690905352615,0.7835930539373587
EOS-2-43894,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n1,QWKPZGNYHLAVFJ-UHFFFAOYSA-N,2,1,0.506,1,31,403.833,3.809,5,0.448,0.65,1.0,0.7368069357823316,0.7032759920498938,0.6166044136796656,0.6392125282708518,0.6739749674456856
EOS-2-43895,Clc1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5)nn4)n23)cc1,KWMNNQHBAOFSHT-UHFFFAOYSA-N,2,1,0.782,43,104,403.833,3.604,5,0.446,0.83,1.0,0.39568912343225277,0.6933469261873758,0.46332499485984513,0.5792183537797272,0.5328948495648003
EOS-2-43896,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,WAYZPLWSUYIRCX-UHFFFAOYSA-N,2,1,0.662,67,15,403.833,4.033,5,0.45,0.83,1.0,0.6575628812281543,0.8240353642656432,0.5852580357754781,0.644986635597286,0.6779607292166403
EOS-2-43897,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)n1,MAFJAPUILCVSCZ-UHFFFAOYSA-N,2,1,0.512,1,31,403.833,3.809,5,0.448,0.66,1.0,0.6545644575423206,0.7032845589747104,0.6769412651634569,0.6968250976629429,0.6829038448358578
EOS-2-43898,OCc1ccc(-c2nnc3cncc(-n4cc(-c5ccc(Cl)cc5)nn4)n23)cc1,CEMHFDQMTJFAJA-UHFFFAOYSA-N,2,1,0.59,61,46,403.833,3.185,5,0.495,0.81,1.0,0.05889760811459119,0.32276745939277635,0.6547614968131039,0.7429836885751491,0.4448525632239051
EOS-2-43899,Clc1cc(-c2cc[nH]n2)ccc1-c1nnc2cncc(OCc3cccnc3)n12,VNGFTGHCSRBJAE-UHFFFAOYSA-N,2,1,0.477,97,214,403.833,3.809,5,0.479,0.73,1.0,0.7249760126105134,0.7495288191350833,0.6903142348022754,0.7109776574600781,0.7189491810019876
EOS-2-43900,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)nc2)n1,RRAIHDBHAPWODR-UHFFFAOYSA-N,2,1,0.525,13,374,403.833,4.033,5,0.45,0.81,1.0,0.39353025837845246,0.445120279624426,0.5852666027002947,0.6129891714070317,0.5092265780275512
EOS-2-43901,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5c[nH]nn5)c4)n23)cc1,NQKSJPQZLUCULF-UHFFFAOYSA-N,2,1,0.641,43,909,403.833,3.809,5,0.479,0.72,1.0,0.8826159961620177,0.903082379549037,0.732155095606881,0.7732506339524364,0.822776026317593
EOS-2-43902,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)cc1,NFBCVAALPIMYPA-UHFFFAOYSA-N,2,1,0.704,67,15,403.833,4.033,5,0.45,0.81,1.0,0.48619868412034817,0.6689483243095059,0.5660167226372421,0.6333184839969844,0.5886205537660202
EOS-2-43903,COc1ccc(-c2nnc3cncc(-c4ccnn4-c4ccccc4Cl)n23)cn1,QXVDZPVOTOZNQN-UHFFFAOYSA-N,2,1,0.323,96,140,403.833,3.701,5,0.455,0.73,1.0,0.16382530326913852,0.3319426358714276,0.5013193064217668,0.5338736207251045,0.38274021657185936
EOS-2-43904,OCc1c(Cl)cccc1-c1nnc2cncc(-c3ccc(-n4ccnc4)cn3)n12,YNZZCAQBSRDWQG-UHFFFAOYSA-N,2,1,0.291,50,155,403.833,3.185,5,0.495,0.76,1.0,0.05890617503940786,0.1872729764923583,0.6769498320882736,0.7188677952162292,0.41049919470906726
EOS-2-43905,Clc1ccccc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cn3)n12,PAXQBRDDRJDCFH-UHFFFAOYSA-N,2,1,0.549,4,547,403.833,3.604,5,0.446,0.74,1.0,0.3615584949626482,0.5166626687684189,0.5527465560962237,0.5975173051881296,0.5071212562538551
EOS-2-43906,Clc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)ccn1,VVHFKYPEJRHPPY-UHFFFAOYSA-N,2,1,0.506,97,55,403.833,3.604,5,0.417,0.83,1.0,0.5915033239668289,0.4671544102528956,0.7218233842779795,0.7049893770132273,0.6213676238777328
EOS-2-43907,Cn1ccnc1-c1cncc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)c1,WWSSCOSMHVKDMM-UHFFFAOYSA-N,2,1,0.597,2,995,403.833,4.033,5,0.45,0.73,1.0,0.42694126516345693,0.5214258789664862,0.5693749571653759,0.6187290110341992,0.5341177780823796
EOS-2-43908,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cc4)n23)cc1,DCGQNFVENWIHJJ-UHFFFAOYSA-N,2,1,0.708,43,909,403.833,3.604,5,0.446,0.86,1.0,0.639855047632102,0.7837965184017545,0.6985470495510931,0.7267664998971969,0.7122412788705367
EOS-2-43909,Clc1ccccc1-c1nnc2cncc(OCc3ccc(-c4cc[nH]n4)cn3)n12,KRZIBFBAWKCRSB-UHFFFAOYSA-N,2,1,0.523,4,850,403.833,3.809,5,0.479,0.68,1.0,0.6085172366527312,0.7581728462751011,0.6105218970598314,0.6534850250154205,0.6576742512507711
EOS-2-43910,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cn2)cn1,CNIDJGIAXPFGDT-UHFFFAOYSA-N,2,1,0.61,13,374,403.833,4.033,5,0.45,0.85,1.0,0.3683520663422658,0.5259577821945035,0.6404290315948187,0.6649647042697553,0.5499258961003358
EOS-2-43911,Clc1ccc(-c2nnc3cncc(OCc4conc4-c4ccccc4)n23)cc1,QMEYQIUHMYXXND-UHFFFAOYSA-N,2,1,0.64,1,709,403.829,4.679,5,0.424,0.84,1.0,0.9128572407648551,0.8831128778013844,0.7085360838873278,0.7756493729011035,0.8200388938386677
EOS-2-43912,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccco5)cn4)n23)cc1,QLFXKDPWIZQMMU-UHFFFAOYSA-N,2,1,0.636,1,850,403.829,4.679,5,0.424,0.87,1.0,0.8484253992186964,0.9097817147556713,0.7842419984922212,0.8030549653896237,0.8363760194640532
EOS-2-43913,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)cc4)n23)cc1,GTBFUGWUPQEAOJ-UHFFFAOYSA-N,2,1,0.714,1,951,403.829,4.679,5,0.424,0.82,1.0,0.9621341923103283,0.9520680556507436,0.8429854019601124,0.8529744362963471,0.9025405215543829
EOS-2-43914,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1Cl,VQKMIPKKKIPBMX-UHFFFAOYSA-N,2,1,0.386,96,575,403.808,4.103,5,0.451,0.79,1.0,0.36617606743883213,0.567490233705709,0.8259286546501268,0.8676667123569324,0.6568154170379
EOS-2-43915,Fc1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)nc4)n23)cc1Cl,WGTCQDXKTFQAGV-UHFFFAOYSA-N,2,1,0.389,96,575,403.808,4.103,5,0.451,0.79,1.0,0.3978137207867864,0.592454252621479,0.7991570145980399,0.8511154136111302,0.6601351004043589
EOS-2-43916,Fc1ccccc1-c1nncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,HAYXQZCJJCHKNS-UHFFFAOYSA-N,2,1,0.448,45,730,403.808,4.103,5,0.451,0.8,1.0,0.37533411006785006,0.7581814131999177,0.7085446508121445,0.8457782194503461,0.6719595983825646
EOS-2-43917,Fc1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)cc5)n4)n23)cc1,XTLPYUFQXWSZFJ-UHFFFAOYSA-N,2,1,0.469,45,730,403.808,4.103,5,0.451,0.8,1.0,0.32343567952847646,0.6835634980467411,0.7191248029607292,0.8580117880885477,0.6460339421561236
EOS-2-43918,Fc1cc(-c2cncnc2)ccc1-c1nnc2cncc(-c3ccc(Cl)nc3)n12,BRUXMPRXTCTUDU-UHFFFAOYSA-N,2,1,0.365,96,478,403.808,4.103,5,0.422,0.78,0.991,0.3430625042834624,0.5720564046329929,0.8703481598245494,0.902362757864437,0.6719574566513604
EOS-2-43919,Fc1cccc(-c2nncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,KLICAHRAOXTJMM-UHFFFAOYSA-N,2,1,0.471,45,730,403.808,4.103,5,0.451,0.88,1.0,0.3311544787882941,0.7219090535261462,0.7268436022205469,0.8544907819888973,0.6585994791309712
EOS-2-43920,Fc1cc(-c2nnc3cncc(-c4cnnc(-c5cccnc5)c4)n23)ccc1Cl,ZHHTWRCHBUMXDK-UHFFFAOYSA-N,2,1,0.368,45,575,403.808,4.103,5,0.451,0.62,1.0,0.36836063326708246,0.6251970392707834,0.8528287985744637,0.8961431704475361,0.6856324103899664
EOS-2-43921,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1Cl,GLOGLAHSIKXFNY-UHFFFAOYSA-N,2,1,0.372,96,575,403.808,4.103,5,0.451,0.84,1.0,0.4020115139469536,0.5924628195462956,0.7610684668631348,0.820094578849976,0.64390934480159
EOS-2-43922,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccccc5Cl)n34)cn2)nc1,AHMHMDPNEHZFQJ-UHFFFAOYSA-N,2,1,0.484,45,140,403.808,4.103,5,0.451,0.73,1.0,0.31361798368857513,0.5031954629566171,0.7010571585223768,0.8141491330272086,0.5830049345486944
EOS-2-43923,Fc1cc(-c2ccc(-c3cncc4nnc(-c5cncc(Cl)c5)n34)nc2)ccn1,SAOLSOFBBAHEFG-UHFFFAOYSA-N,2,1,0.316,82,680,403.808,4.103,5,0.422,0.8,1.0,0.2522359673771503,0.4320300185045576,0.8070128846549243,0.8628606675347817,0.5885348845178535
EOS-2-43924,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,OFHAWRLUJVMQAT-UHFFFAOYSA-N,2,1,0.449,45,46,403.808,4.103,5,0.451,0.8,1.0,0.40399904050442054,0.7173942841477623,0.8647368240696319,0.9135768624494551,0.7249267527928174
EOS-2-43925,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1Cl,POLBPVMIEWGSDI-UHFFFAOYSA-N,2,1,0.381,96,558,403.808,4.103,5,0.451,0.79,1.0,0.4405798094715921,0.6016122952504969,0.8757710232335001,0.9116150366664382,0.7073945411555068
EOS-2-43926,Fc1ccc(-c2nnc3cncc(Cl)n23)cc1-c1ccnc(-c2cccnn2)c1,QKFUPOWHWPYPRZ-UHFFFAOYSA-N,2,1,0.529,96,140,403.808,4.103,5,0.451,0.74,1.0,0.3478257144815297,0.49876636282639986,0.8092317181824412,0.8613186210677816,0.629285604139538
EOS-2-43927,N#Cc1ccc(-c2nnc3cncc(OCc4sc(Cl)c(F)c4F)n23)cc1,XIKGHALHMKPVJK-UHFFFAOYSA-N,2,1,0.597,90,255,403.801,4.235,4,0.509,0.71,1.0,0.9702042354876294,0.9589729970529779,0.9450089096018094,0.9501233637173601,0.9560773764649442
EOS-2-43928,Clc1ccc(Oc2cncc3nnc(-c4cc(-c5cncnc5)ncn4)n23)cn1,VYSIGZHQADZLKU-UHFFFAOYSA-N,2,1,0.333,46,395,403.793,2.879,5,0.417,0.74,1.0,0.5186930299499691,0.5259663491193202,0.3836782948392845,0.4093362346652046,0.4594184771434446
EOS-2-43929,FC(F)Oc1ccc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)nc1,QRJRMWIKKYEVHU-UHFFFAOYSA-N,2,1,0.667,90,305,403.776,4.02,4,0.484,0.81,1.0,0.7637413474059351,0.907699952025221,0.940322801727092,0.9331351518059078,0.886224813241039
EOS-2-43930,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1,NLUIWMTWBMUVLF-UHFFFAOYSA-N,2,1,0.764,48,305,403.776,4.02,4,0.453,0.84,1.0,0.9097902816804879,0.9285861147282571,0.9361421424165581,0.9244225892673565,0.9247352820231649
EOS-2-43931,COc1cnc(COc2cncc3nnc(-c4cccc(F)c4)n23)c(Cl)c1F,YKKNOYXXBZRQGH-UHFFFAOYSA-N,2,1,0.575,90,708,403.776,3.706,4,0.506,0.79,1.0,0.8088033719416079,0.8639743677609485,0.8731067096155164,0.8628692344595984,0.8521884209444178
EOS-2-43932,FC(F)Oc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,SGTZVLBCHGTVTI-UHFFFAOYSA-N,2,1,0.693,48,305,403.776,4.02,4,0.484,0.83,1.0,0.9345658282502913,0.9726886436844631,0.9462425467754095,0.9384380782674251,0.9479837742443973
EOS-2-43933,N#Cc1cc(-c2ccc(Oc3cncc4nnc(-c5cc(F)c(Cl)cc5F)n34)cn2)cnc1Cl,RRIIGBSFOQRAAU-UHFFFAOYSA-N,2,1,0.392,13,573,496.264,5.497,5,0.239,0.7,0.994,0.8971712014255363,0.9500034267699267,0.9740250839558632,0.9789767664998972,0.9500441196628059
EOS-2-43934,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Br)nc5)n34)cn2)cc1F,QUSGDRFGYCJLLN-UHFFFAOYSA-N,2,1,0.484,59,401,496.275,4.263,5,0.336,0.67,1.0,0.7489976697964499,0.8578233157425811,0.8186125008566925,0.8117846617778083,0.809304537043383
EOS-2-43935,Fc1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)nc5Br)n34)c2)cnn1,TZONUOUZLFXOMS-UHFFFAOYSA-N,2,1,0.477,43,418,496.275,4.263,5,0.336,0.65,1.0,0.7637499143307518,0.7581899801247344,0.8204972243163594,0.8052566650675074,0.7869234459598382
EOS-2-43936,Fc1cc(Br)cnc1COc1cncc2nnc(-c3ccc(-c4nnccc4F)cc3)n12,FWHZGNMOHQSQPX-UHFFFAOYSA-N,2,1,0.494,34,526,496.275,4.263,5,0.359,0.62,1.0,0.8033633746830238,0.7751867589610033,0.7703207456651361,0.7783051195942704,0.7817939997258584
EOS-2-43937,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)c(Br)n5)n34)ccn2)c1,WIBDQISMLFNRQP-UHFFFAOYSA-N,2,1,0.462,75,359,496.304,2.9,5,0.33,0.6,1.0,0.666986498526489,0.5773935987937769,0.16770612021108902,0.16487903502158865,0.3942413131382359
EOS-2-43938,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Br)n4)n23)cn1,WDSHXZMQBSDEFN-UHFFFAOYSA-N,2,1,0.404,51,379,496.304,3.166,5,0.342,0.69,1.0,0.46400178192036184,0.5119765608937016,0.19390377630045919,0.15964464395860462,0.3323816907682818
EOS-2-43939,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1ccc(Cl)nn1,PZHSUPVILDYWAM-UHFFFAOYSA-N,2,1,0.382,49,88,496.318,3.37,5,0.331,0.55,0.79,0.5944846138030293,0.535021588650538,0.1870930710712083,0.22100952642039615,0.38440219998629294
EOS-2-43940,Brc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)ccc1-c1ccccc1,HPZJAJHMFAKFEF-UHFFFAOYSA-N,2,1,0.359,93,651,496.328,5.333,6,0.326,0.74,1.0,0.29540470152833936,0.38066273730381744,0.6632598862312384,0.704997943938044,0.5110813172503599
EOS-2-43941,COc1cc(-c2nnc3cncc(-c4cc(-c5cccc(F)c5Cl)cnc4OC)n23)ccc1Cl,ZAAZASFDYUDJMZ-UHFFFAOYSA-N,2,1,0.344,96,46,496.329,5.983,5,0.298,0.73,1.0,0.6793571379617572,0.8047083818792407,0.954997943938044,0.9473562470015763,0.8466049276951545
EOS-2-43942,COc1cc(-c2nnc3cncc(-c4cc(F)ccc4OCc4ccc(Cl)nc4)n23)ccc1Cl,YHNSMXQJSGZPON-UHFFFAOYSA-N,2,1,0.378,96,533,496.329,5.887,5,0.273,0.77,1.0,0.6454920841614694,0.792397710917689,0.9652525529435954,0.9590072647522445,0.8405374031937496
EOS-2-43943,CCOc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccc(Cl)cc1,QNVIKTRUMXASIJ-UHFFFAOYSA-N,2,1,0.429,57,236,496.329,6.49,5,0.268,0.76,0.996,0.8243866081831266,0.8696114042903159,0.9130028784867384,0.9253820848468234,0.883095743951751
EOS-2-43944,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ccc(Cl)cn1,APHPGRKEFWNSTB-UHFFFAOYSA-N,2,1,0.658,57,13,496.329,5.887,5,0.292,0.7,1.0,0.9888801315879652,0.964978411349462,0.9608748543622782,0.9553234870810774,0.9675142210951957
EOS-2-43945,Brc1cc(-c2nnc3cncc(-n4cnc(-c5ccc(-c6ccccc6)nc5)n4)n23)ccn1,UNKDPCQEEBGYIL-UHFFFAOYSA-N,2,1,0.398,30,945,496.332,4.259,6,0.336,0.76,1.0,0.004788910972517305,0.12176170241929957,0.34193167020766224,0.4156671921047221,0.2210373689260503
EOS-2-43946,CCc1nc(-c2nnc3cncc(OCCc4cc(Cl)cnc4Cl)n23)ccc1-c1cnc(C)o1,ISJBZVISRZYZTP-UHFFFAOYSA-N,2,1,0.423,18,690,496.358,5.035,5,0.289,0.54,1.0,0.5499366047563566,0.5826622575560277,0.37226715098348295,0.39981838119388663,0.4761710986224385
EOS-2-43947,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)cc(-c5nccn5C)n4)n23)ccc1Cl,PFIILUPLYDZHJM-UHFFFAOYSA-N,2,1,0.484,37,67,496.358,4.524,5,0.327,0.62,0.991,0.7606315536974847,0.717402851072579,0.5494054554177232,0.5533633746830238,0.6452008087177027
EOS-2-43948,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCOc4ccc(Cl)c(Cl)c4)n23)cc1,ICCCNESLWRADHU-UHFFFAOYSA-N,2,1,0.548,91,520,496.358,4.834,5,0.284,0.75,1.0,0.7892193818107053,0.7405935165512988,0.6433332191076692,0.6708673154684395,0.7110033582345281
EOS-2-43949,COc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cncn4C)c(Cl)n3)n12,WTZAUVMOYPHFET-UHFFFAOYSA-N,2,1,0.441,26,442,496.358,4.524,5,0.306,0.7,0.999,0.6170927283942156,0.5259749160441368,0.6547700637379207,0.62451168528545,0.6055873483654308
EOS-2-43950,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)ccc1-c1ccnn1C,OYPVCMSPUMZLBG-UHFFFAOYSA-N,2,1,0.511,49,442,496.358,4.524,5,0.327,0.67,1.0,0.5061681858680008,0.46716297717771227,0.5884277979576451,0.5758772531012268,0.5344090535261463
EOS-2-43951,Clc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)nc1,GRGLMCLZRLQSLR-UHFFFAOYSA-N,2,1,0.329,30,93,496.361,6.284,6,0.267,0.61,1.0,0.31362655061339184,0.4845109999314646,0.7842505654170379,0.872421355630183,0.6137023678980194
EOS-2-43952,Fc1ccc(Oc2cccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)c2)cc1,WQLCGPFVOGBLON-UHFFFAOYSA-N,2,1,0.551,79,590,496.42,6.2,5,0.25,0.82,1.0,0.9692618737577959,0.9679854019601124,0.9934034678911657,0.9854961962853814,0.9790367349736138
EOS-2-43953,Fc1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cc2)cc1,WBCGODFZEBSYJH-UHFFFAOYSA-N,2,1,0.72,79,590,496.42,6.2,5,0.25,0.84,1.0,0.9914673428825989,0.9883832499485985,0.9948512781851826,0.9897196902199986,0.9911053903090946
EOS-2-43954,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)cc2)cc1,KCXODJFBZRJNLI-UHFFFAOYSA-N,2,1,0.614,79,590,496.42,6.2,5,0.25,0.76,1.0,0.9881005414296484,0.9842968268110479,0.9936519087108492,0.9860359125488315,0.9880212973750943
EOS-2-43955,Cn1c(F)ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5F)c4)n23)c1=O,LEVNKPHIMKTIDC-UHFFFAOYSA-N,2,1,0.537,88,884,496.424,3.73,5,0.202,0.63,1.0,0.5714995545199095,0.5166712356932356,0.8976766499897197,0.8961517373723529,0.7204997943938044
EOS-2-43956,Fc1ccc(COc2ccccc2-c2ccc(-c3nnc4cncc(OCC(F)(F)F)n34)nn2)cc1,GCGNSWKKCLAJRE-UHFFFAOYSA-N,2,1,0.473,19,691,496.424,4.908,5,0.296,0.75,0.999,0.8882701665410184,0.841734630936879,0.962451168528545,0.9285518470289905,0.9052519532588582
EOS-2-43957,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(OC(F)(F)F)cc5)nc4)n23)cn1,VPXUZUHJTNXOKQ-UHFFFAOYSA-N,2,1,0.511,11,713,496.424,4.908,5,0.234,0.76,1.0,0.9594784456171612,0.9659464738537454,0.9757727366184634,0.9466366253169762,0.9619585703515866
EOS-2-43958,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cn5)n34)c(F)c2)cn1,YBBOPPQDNSONRB-UHFFFAOYSA-N,2,1,0.5,1,676,496.424,4.994,5,0.306,0.69,1.0,0.8006990610650401,0.9158556644506888,0.9844338976081146,0.9473648139263929,0.912088359262559
EOS-2-43959,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(COC(F)(F)F)cc5)n34)nc2)c1,FNVKOHYVEONODL-UHFFFAOYSA-N,2,1,0.547,1,676,496.424,5.003,5,0.293,0.74,1.0,0.9237972037557398,0.9391148653279419,0.9857103694057981,0.9649441436501953,0.9533916455349187
EOS-2-43960,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1-c1cccnn1,ZWZUZGNGXLPOBL-UHFFFAOYSA-N,2,1,0.636,91,640,496.424,4.908,5,0.296,0.68,1.0,0.9738537454595299,0.9835343705023645,0.9803817421698308,0.9584075800150778,0.9740443595367008
EOS-2-43961,COc1cc(-c2cnc(OC)c(F)c2)ccc1-c1nnc2cncc(-c3ccc(C(F)(F)F)nc3)n12,WLJZJPJQLSKKNC-UHFFFAOYSA-N,2,1,0.388,96,697,496.424,5.09,5,0.313,0.71,1.0,0.6730861489959564,0.7838050853265712,0.9757813035432801,0.9023713247892536,0.8337609656637655
EOS-2-43962,Cc1nc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1-c1cccc(OC(F)F)c1,NJFDVXGFYQMHNW-UHFFFAOYSA-N,2,1,0.455,1,679,496.424,5.015,5,0.293,0.66,1.0,0.859605236104448,0.9006493729011035,0.9326982386402577,0.9059351655129875,0.8997220032896991
EOS-2-43963,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)n23)cc1F,YQJIVIWPRAEIBC-UHFFFAOYSA-N,2,1,0.789,79,497,496.439,6.377,5,0.256,0.76,1.0,0.9929494208758823,0.9961448838324994,0.9984665204578165,0.9981409773147831,0.9964254506202453
EOS-2-43964,Fc1ccc(-c2cc(F)cc(CCOc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)cc1,DPRFBVABWNWEJL-UHFFFAOYSA-N,2,1,0.72,57,497,496.439,6.377,5,0.256,0.78,1.0,0.992623877732849,0.9956994037420328,0.9981923788636831,0.9980638749914331,0.9961448838324996
EOS-2-43965,Fc1cnc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)n2)nc1,KVCKAQCLEAETFI-UHFFFAOYSA-N,2,1,0.438,80,34,496.441,3.353,6,0.317,0.64,0.989,0.6253683777671167,0.6835720649715578,0.36090740867658144,0.3583458981563978,0.5070484373929134
EOS-2-43966,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncc(F)cn6)n5)n34)nn2)cc1,RONRUVXTMURIJP-UHFFFAOYSA-N,2,1,0.4,6,414,496.441,3.353,6,0.338,0.65,1.0,0.6515746007813036,0.562898362003975,0.34194023713247895,0.3998269481187033,0.4890600370091152
EOS-2-43967,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cnccc6F)cn5)n34)nn2)cc1,BOXJOFLVQHAUDK-UHFFFAOYSA-N,2,1,0.449,6,177,496.441,3.353,6,0.338,0.63,1.0,0.7095469810156946,0.7406020834761154,0.39838770474950314,0.4934805702145158,0.5855043348639573
EOS-2-43968,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(-c6cncnc6)n5)n34)cnn2)cc1F,GXMYSBCCIBIPBG-UHFFFAOYSA-N,2,1,0.396,80,350,496.441,3.353,6,0.338,0.54,1.0,0.5915118908916456,0.6064526077719142,0.6166129806044822,0.609682338427798,0.60606495442396
EOS-2-43969,COc1nc(-c2nnc3cncc(OCCc4cc(F)c(F)c(F)n4)n23)ccc1-c1cc(C)nn1C,ISWXPZSMEXXUPQ-UHFFFAOYSA-N,2,1,0.42,49,814,496.453,3.338,5,0.316,0.57,0.865,0.5135528750599685,0.42736104447947365,0.44210472208895896,0.32304160098690976,0.4265150606538277
EOS-2-43970,COc1nc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4F)n23)ccc1-c1nnc(C)n1C,CPTBUFGGBXNXTI-UHFFFAOYSA-N,2,1,0.439,49,442,496.453,3.338,5,0.316,0.67,0.997,0.5037009115208005,0.4406569117949421,0.3761479679254335,0.3391302857926119,0.414909019258447
EOS-2-43971,COc1nc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)ccc1-c1ccc(F)nc1,BHHNXCZIRWELAC-UHFFFAOYSA-N,2,1,0.406,77,323,496.462,4.025,6,0.299,0.59,1.0,0.72498457953533,0.4892485093550819,0.5392450825851552,0.41567575902953874,0.5422884826262765
EOS-2-43972,COc1nnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)cn5)n34)c2)o1,MWPXRBQHKRSDCB-UHFFFAOYSA-N,2,1,0.6,40,25,496.462,4.025,6,0.32,0.7,1.0,0.5268487423754369,0.48925707627989856,0.4737081077376465,0.3841066410801179,0.468480141868275
EOS-2-43973,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2F)cn1,IIMWHPXYOYXEHX-UHFFFAOYSA-N,2,1,0.522,40,25,496.462,4.025,6,0.32,0.61,1.0,0.6485504763210198,0.5877510108971283,0.6014495236789802,0.46929614145706255,0.5767617880885477
EOS-2-43974,COc1nc(-c2nnc3cncc(OCc4cccc(-c5cnco5)n4)n23)ccc1-c1cncc(F)c1,HUPRQHSHLVWEQB-UHFFFAOYSA-N,2,1,0.424,28,414,496.462,4.025,6,0.32,0.57,0.956,0.6398636145569186,0.4939603180042492,0.4421132890137756,0.34230861489959563,0.4795614591186348
EOS-2-43975,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(-c6nncn6C)cc5F)nn4)n23)cn1,TURPOBPENKIIGY-UHFFFAOYSA-N,2,1,0.374,67,622,496.466,3.379,6,0.338,0.72,1.0,0.5214173120416695,0.4845195668562813,0.3272222602974436,0.262456308683435,0.3989038619697074
EOS-2-43976,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(-n6cccn6)n5)n34)c2)cc1=O,NIBWRCAVBPAKJA-UHFFFAOYSA-N,2,1,0.381,6,547,496.466,2.246,6,0.341,0.54,1.0,0.15032382975807004,0.13951237063943528,0.21152594064834487,0.1866047563566582,0.1719917243506271
EOS-2-43977,CCc1c(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(-c2ccc(F)cc2)nn1C,MXBKTCQPMLQVOA-UHFFFAOYSA-N,2,1,0.571,43,138,496.468,5.491,5,0.291,0.65,1.0,0.5915204578164622,0.7495373860599,0.939680282365842,0.9034678911657871,0.7960515043519978
EOS-2-43978,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cn(Cc6ncccn6)nn5)n34)cn2)nc1,JPGARESZHVQIBO-UHFFFAOYSA-N,2,1,0.43,80,34,496.47,1.834,6,0.304,0.67,1.0,0.33352751696251115,0.27681447467617026,0.030206976903570694,0.03711191830580495,0.16941522171201426
EOS-2-43979,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cnc(-c5cnc(CN)nc5)nc4)n23)c(F)c1,BBPWMCMKIDQAHL-UHFFFAOYSA-N,2,1,0.396,56,197,496.47,2.224,6,0.36,0.67,1.0,0.5161486532794188,0.5394935234048386,0.11945719964361592,0.11507950106229868,0.32254471934754303
EOS-2-43980,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(CO)n(C)n6)nn5)n34)c(F)c2)nn1,NCHKEIPRTQEAHJ-UHFFFAOYSA-N,2,1,0.3,99,63,496.47,1.836,6,0.371,0.55,0.793,0.30313206771297374,0.3613186210677815,0.03524432869577136,0.047340826536906314,0.18675896100335823
EOS-2-43981,Cc1onc(-c2ccc(F)c(F)c2)c1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,XVOXINBBKCEYKP-UHFFFAOYSA-N,2,1,0.523,77,427,496.477,5.674,6,0.293,0.73,1.0,0.8138150229593585,0.7669196765129189,0.8031149338633404,0.7850558563498047,0.7922263724213556
EOS-2-43982,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Oc6ccccc6)c5)n34)n[nH]2)cc1F,RABYJVWPCXCNLX-UHFFFAOYSA-N,2,1,0.446,17,410,496.477,5.831,6,0.299,0.72,0.999,0.70025186758961,0.587759577821945,0.9186741827153725,0.9116236035912549,0.7795773079295456
EOS-2-43983,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4csnc4C#CC(F)(F)F)n23)c1,ATIWWOKUFNEVEA-UHFFFAOYSA-N,2,1,0.352,31,211,496.478,4.019,5,0.328,0.66,0.998,0.34076656843259545,0.36615036666438217,0.7991655815228565,0.6273644712494003,0.5333617469673086
EOS-2-43984,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)n1,ZNHKKXGODCWYBB-UHFFFAOYSA-N,2,1,0.505,77,80,496.481,4.506,6,0.335,0.71,1.0,0.6338153656363512,0.6443955177849359,0.7010657254471935,0.7050065108628607,0.6710707799328353
EOS-2-43985,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)cc2)cn1,QUSRNKYGCLOWBA-UHFFFAOYSA-N,2,1,0.522,40,25,496.481,5.086,6,0.304,0.59,1.0,0.4686450551709958,0.5077959015831677,0.8205057912411761,0.7376807621136316,0.6336568775272429
EOS-2-43986,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccnc6)nc5)n34)cc2)cn1,KOKSUYOWFXXYQB-UHFFFAOYSA-N,2,1,0.495,40,78,496.481,5.086,6,0.304,0.69,1.0,0.5796467000205606,0.4939688849290659,0.8603334247138648,0.7783136865190871,0.6780656740456446
EOS-2-43987,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c(OC(F)F)c2)n[nH]1,GUYNXVSUHDMYPC-UHFFFAOYSA-N,2,1,0.34,69,834,496.481,5.215,6,0.337,0.74,1.0,0.36618463436364884,0.40445308751970394,0.8050938934959907,0.7531269275580837,0.5822146357343568
EOS-2-43988,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccccc6)cn5)n34)cc2)cn1,NIPNSSCFMMWNHB-UHFFFAOYSA-N,2,1,0.489,40,285,496.481,5.086,6,0.304,0.61,1.0,0.47632958673154685,0.4892656432047152,0.7944709067233225,0.7267750668220135,0.6217103008703996
EOS-2-43989,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnc6)n5)n34)cc2)n1,LPVORXSRRLLECO-UHFFFAOYSA-N,2,1,0.511,40,25,496.481,5.086,6,0.304,0.62,1.0,0.4739565485573299,0.5119851278185182,0.7819631964909876,0.6941864848194093,0.6155228394215613
EOS-2-43990,COc1c(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)c(-c2cccc(F)n2)nn1C,OJQHEDHBNFMCJM-UHFFFAOYSA-N,2,1,0.327,32,693,496.481,4.603,6,0.322,0.64,1.0,0.3407751353574121,0.49397745185388253,0.5191556438900692,0.5438540881365225,0.47444057980947163
EOS-2-43991,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)c4)n23)cc1F,FLRWWAABVDRTOW-UHFFFAOYSA-N,2,1,0.529,40,868,496.481,4.506,6,0.335,0.64,1.0,0.8367315468439449,0.654632992940854,0.8857943252690015,0.84936776094853,0.8066316565005827
EOS-2-43992,Fc1cc(-c2nnc3cncc(OCCc4c(F)cccc4-n4ccnc4)n23)ccc1-c1cncnc1,LTRQZKKZCVZMFJ-UHFFFAOYSA-N,2,1,0.527,35,215,496.481,4.334,6,0.325,0.59,1.0,0.7279487355218971,0.6016208621753135,0.8243180727845932,0.805265231992324,0.739788225618532
EOS-2-43993,Cn1ccnc1-c1cncc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)n1,MIFXOFRJMUBTCZ-UHFFFAOYSA-N,2,1,0.458,40,247,496.481,4.506,6,0.335,0.68,1.0,0.557484065519841,0.5720649715578096,0.6985556164759098,0.6941950517442259,0.6305749263244466
EOS-2-43994,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)c5)n34)cc2)cn1,DPFUKAVNQDVYCM-UHFFFAOYSA-N,2,1,0.505,77,323,496.481,5.086,6,0.304,0.61,1.0,0.5631125351243917,0.5492426838462066,0.8675553423343156,0.8030635323144404,0.6957435234048386
EOS-2-43995,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(OC(F)F)c1,NXEMMEQGYNAXQY-UHFFFAOYSA-N,2,1,0.353,9,642,496.481,4.917,6,0.323,0.74,1.0,0.3360890274826948,0.39001781920361867,0.8092402851072579,0.7710489342745528,0.576599016517031
EOS-2-43996,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c1,ABZIAGXPMAXZFY-UHFFFAOYSA-N,2,1,0.578,12,492,496.481,4.506,6,0.335,0.74,1.0,0.751961825783017,0.6885837159893085,0.7798043314371873,0.7920464670002056,0.7530990850524296
EOS-2-43997,COc1nc(-c2nnc3cncc(OCc4ccc(-c5noc(C)n5)nc4)n23)ccc1-c1ccn(C)n1,DOUJLEBAMRIGOC-UHFFFAOYSA-N,2,1,0.448,49,843,496.491,2.928,6,0.322,0.52,0.962,0.2842762661914879,0.10255465698033034,0.07462648207799329,0.02986429991090398,0.12283042629017887
EOS-2-43998,COc1cc(-c2nnc3cncc(OCCc4nc(-c5cccnc5)nn4C)n23)ccc1-c1ncon1,WHDJIMFDLGQYQW-UHFFFAOYSA-N,2,1,0.448,56,604,496.491,2.662,6,0.307,0.64,1.0,0.35926255911178123,0.21024946885066137,0.03937358645740525,0.02702008087177027,0.15897642382290456
EOS-2-43999,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCc3ncc(-c4cnn(C)c4)nn3)n12,WBSBAEYIUWNFJU-UHFFFAOYSA-N,2,1,0.382,71,614,496.495,1.76,6,0.318,0.63,1.0,0.2219261873757796,0.11842916866561579,0.059985607566308,0.02987286683572065,0.10755345761085601
EOS-2-44000,COc1cc(-c2nnc3cncc(OCc4ccnc(-n5cnc(C)n5)n4)n23)ccc1-c1ncnn1C,GQKNSBLFTDUWLE-UHFFFAOYSA-N,2,1,0.438,56,614,496.495,1.854,6,0.319,0.64,1.0,0.22485607566307997,0.1357000890960181,0.03140634637790419,0.011479679254334864,0.10086054759783428
EOS-2-44001,c1ccc(-c2ccc(-c3nnc4cncc(-n5nnc(-c6cncc(-c7cccnn7)n6)n5)n34)cc2)cc1,DAGIHBACQHTCLY-UHFFFAOYSA-N,2,1,0.34,93,465,496.498,3.348,7,0.349,0.56,0.094,0.01188232472071825,0.017005345761085602,0.10285449934891372,0.18954321156877527,0.0803213453498732
EOS-2-44002,CCn1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)ccc2F)cn1,RDDCLRMOVWUQFW-UHFFFAOYSA-N,2,1,0.416,80,843,496.51,3.583,6,0.33,0.67,1.0,0.35013878418203004,0.43662189020629155,0.2218405181276129,0.16740627784250564,0.29400186758961
EOS-2-44003,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(-c6cnn(C)c6)n5)n34)nc2)n[nH]1,SQKUQSZVGUBTFD-UHFFFAOYSA-N,2,1,0.373,87,549,496.51,3.441,6,0.356,0.56,0.68,0.4334521280241245,0.4090106915221712,0.2872489891028716,0.2269549722431636,0.33916669522308274
EOS-2-44004,CCn1cc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c2)nn1,JZMJKSYBVHLRDR-UHFFFAOYSA-N,2,1,0.406,6,843,496.51,3.583,6,0.33,0.61,1.0,0.3522119799876636,0.38512610513330137,0.29073572750325544,0.25017990542115004,0.3195634295113426
EOS-2-44005,CS(=O)(=O)c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)cn2)cn1,LGYVGVYTQYGHMR-UHFFFAOYSA-N,2,1,0.295,9,725,496.516,2.499,6,0.376,0.68,1.0,0.08448701254197793,0.13212768144746762,0.14279350284421904,0.14665718593653623,0.12651634569255021
EOS-2-44006,c1cncc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nnc(C7CC7)o6)nc5)n34)s2)c1,OZEGIRJELSKYBV-UHFFFAOYSA-N,2,1,0.402,6,826,496.516,3.606,7,0.32,0.68,1.0,0.28969912960043864,0.2559882804468508,0.006442327462134192,0.013792748954835172,0.14148062161606473
EOS-2-44007,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)n1,FTEOPWJEQDPJRE-UHFFFAOYSA-N,2,1,0.524,4,22,403.471,3.536,5,0.446,0.77,1.0,0.3522205469124803,0.33195120279624424,0.18710163799602494,0.13277876773353436,0.25101303885957094
EOS-2-44008,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccsc5)n34)c2)cn1,IGNPCPVYFCEADI-UHFFFAOYSA-N,2,1,0.465,92,36,403.471,3.71,5,0.43,0.75,1.0,0.17733534370502366,0.15849667603317114,0.3272308272222603,0.25926941265163456,0.23058306490302244
EOS-2-44009,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)cn1,MEAMIIAGYSHZDK-UHFFFAOYSA-N,2,1,0.5,65,468,403.471,3.27,5,0.433,0.78,1.0,0.48116989925296416,0.3566667808923309,0.2907442944280721,0.23281474881776437,0.34034893084778284
EOS-2-44010,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2)n1,OKCFVKODBGJKMJ-UHFFFAOYSA-N,2,1,0.597,15,320,403.471,3.27,5,0.433,0.71,1.0,0.6115156603385649,0.4273696114042903,0.21814817353162907,0.17852614625454047,0.35888989788225617
EOS-2-44011,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)n1,IKQUUDUZGSENNL-UHFFFAOYSA-N,2,1,0.5,65,981,403.471,3.27,5,0.433,0.69,1.0,0.5061767527928175,0.3661589335891988,0.2252244534301967,0.18137036529367417,0.3197326262764718
EOS-2-44012,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)nn2C)ccn1,ZPWALQMVPHMFNM-UHFFFAOYSA-N,2,1,0.518,95,694,403.471,3.536,5,0.446,0.74,0.997,0.2112260982797615,0.1623346583510383,0.21153450757316153,0.1648876019464053,0.18749571653759164
EOS-2-44013,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cccs5)n34)c2)cn1,QCPJRMAHIZEQAT-UHFFFAOYSA-N,2,1,0.585,87,349,403.471,3.27,5,0.433,0.81,1.0,0.5135614419847851,0.3025238160509903,0.29810328284558973,0.2501884723459667,0.34109425330683296
EOS-2-44014,Cc1ncsc1COc1cncc2nnc(-c3cccc(-c4cnn(C)c4)c3)n12,AJCFTDKGEMTQSW-UHFFFAOYSA-N,2,1,0.5,16,256,403.471,3.536,5,0.446,0.7,1.0,0.2786906312110205,0.23558186553354807,0.24332636556781578,0.18955177849359195,0.23678766020149408
EOS-2-44015,CCn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)c1,VEPMTLJNEIKADN-UHFFFAOYSA-N,2,1,0.512,16,256,403.471,3.71,5,0.43,0.69,1.0,0.3081008841066411,0.22556713042286342,0.25416352546090054,0.20051744225892673,0.24708724556233294
EOS-2-44016,Cn1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)c1,JWCWFQHFNVXFTH-UHFFFAOYSA-N,2,1,0.488,65,349,403.471,3.27,5,0.433,0.63,1.0,0.5214258789664862,0.292526214789939,0.2981118497704064,0.24450003426769926,0.3391409944486327
EOS-2-44017,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)c1,LNNGJNOWBRXALX-UHFFFAOYSA-N,2,1,0.5,65,981,403.471,3.27,5,0.433,0.72,1.0,0.6115242272633815,0.4539784798848605,0.24333493249263244,0.19756185319717634,0.3765998732095127
EOS-2-44018,Cn1cnc(-c2ncccc2-c2nnc3cncc(OCCc4cccs4)n23)c1,HEDKHZSGWKXBQE-UHFFFAOYSA-N,2,1,0.59,87,579,403.471,3.27,5,0.433,0.71,0.974,0.5061853197176341,0.385134672058118,0.13678808854773492,0.1283753683777671,0.2891208621753135
EOS-2-44019,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cncc(F)c6)cn5)n34)c2)s1,BLHYOYAIDBVMHE-UHFFFAOYSA-N,2,1,0.398,28,177,496.531,4.793,6,0.324,0.78,1.0,0.5742838050853266,0.4987749297512165,0.4771091768898636,0.46311938866424507,0.503321825097663
EOS-2-44020,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccccc5-c5cccc(F)n5)n34)nc2)s1,VAOYXRRZZKJWGA-UHFFFAOYSA-N,2,1,0.39,28,177,496.531,4.793,6,0.303,0.66,1.0,0.5659310533890755,0.5492512507710232,0.37615653485025013,0.37477725995476663,0.4665290247412789
EOS-2-44021,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5csc(C)n5)c4)n23)o1,BNECOJVOWRUEID-UHFFFAOYSA-N,2,1,0.525,4,92,403.467,4.704,5,0.423,0.84,1.0,0.43590226852169145,0.39967274347200327,0.45293331505722706,0.3328164622027277,0.40533119731341233
EOS-2-44022,Cn1c(-c2cc3ccncc3nn2)ccc1-c1nnc2cncc(Oc3ccc(-c4ccccc4)cc3)n12,ZAVICICATSFIKI-UHFFFAOYSA-N,2,1,0.375,12,651,496.534,5.594,7,0.306,0.63,0.688,0.3501473511068467,0.21522685216914536,0.604627852785964,0.6333270509218011,0.4508322767459393
EOS-2-44023,COc1cc(-c2nnc3ccccn23)ncc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,MJQZCXQRVBBQCD-UHFFFAOYSA-N,2,1,0.337,93,651,496.534,5.239,7,0.322,0.73,1.0,0.23867452539236517,0.10580152148584744,0.5392536495099719,0.572878829415393,0.36415213145089437
EOS-2-44024,c1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnc7ccccn67)cc5)n34)c2)c1,WTIUOEQVNKYVRR-UHFFFAOYSA-N,2,1,0.512,12,492,496.534,5.142,7,0.314,0.69,1.0,0.6912394626824755,0.4451288465492427,0.6339438695086012,0.6478479884860531,0.604540041806593
EOS-2-44025,c1ccc(-n2nccc2COc2cncc3nnc(-c4ccc(-c5cnc6ccccc6n5)cc4)n23)cc1,SUDCUIZWQDRHAZ-UHFFFAOYSA-N,2,1,0.471,12,897,496.534,5.166,7,0.314,0.75,1.0,0.34783428140634637,0.24599067918579948,0.5085754917414845,0.5137327804811185,0.4040333082036872
EOS-2-44026,CC(C)c1c(-c2nnc3cncc(OCc4cc(-c5nnco5)nn4C)n23)c(-c2ccccc2)nn1C,VSAZPXVTHSIOGH-UHFFFAOYSA-N,2,1,0.4,71,226,496.535,3.678,6,0.325,0.47,1.0,0.20551195942704406,0.15075217599890342,0.04221780549653896,0.02267664998971969,0.10528964772805154
EOS-2-44027,Cc1ccc(-c2nnc3cncc(-c4cncc(-c5cccc(CC#N)c5)n4)n23)cc1,SWHZUEFWUSIYMV-UHFFFAOYSA-N,2,1,0.402,62,139,403.449,4.29,5,0.444,0.78,1.0,0.2897076965252553,0.2664741964224522,0.7371324789253649,0.7188763621410459,0.5030476835035296
EOS-2-44028,COc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5OC)n34)cc2)n(C)n1,FMBSFXUUXRIMLR-UHFFFAOYSA-N,2,1,0.337,9,98,496.556,4.395,6,0.334,0.66,1.0,0.22765746007813034,0.07988657391542732,0.25754746076348434,0.16228325680213831,0.18184368788979507
EOS-2-44029,COc1cc(-c2nnsc2C)ccc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,RWVYXROXNVICAR-UHFFFAOYSA-N,2,1,0.462,77,763,496.556,4.596,6,0.341,0.68,1.0,0.4269498320882736,0.36132718799259816,0.40542971694880403,0.29820608594338976,0.37297820574326634
EOS-2-44030,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccs5)cn4)n23)cc1O,VWSWHLAJPGHGKA-UHFFFAOYSA-N,2,1,0.465,40,25,496.556,4.478,6,0.344,0.61,1.0,0.3136351175382085,0.2818603933931876,0.3419488040572956,0.24730141868274963,0.29618643341786033
EOS-2-44031,OCc1sccc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)cn3)n12,SKJUPBHKKBQMRD-UHFFFAOYSA-N,2,1,0.34,96,680,403.442,4.213,5,0.486,0.85,1.0,0.23868309231718182,0.35174936604756357,0.7396682886710986,0.7897590980741553,0.5299649612774998
EOS-2-44032,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccns5)cc4)n23)cc1,QMLCXIYQIBFBTE-UHFFFAOYSA-N,2,1,0.735,1,326,403.442,4.633,5,0.428,0.8,1.0,0.9534216297717771,0.878066959084367,0.827933315057227,0.8260914262216434,0.8713783325337536
EOS-2-44033,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nc4)n23)cc1,QVTASWAJGFROPS-UHFFFAOYSA-N,2,1,0.662,97,232,403.442,4.633,5,0.428,0.86,1.0,0.9633335617846618,0.8666301144541155,0.7967839764238229,0.787317524501405,0.8535162942910013
EOS-2-44034,Fc1ccccc1-c1nnc2cncc(OCc3ccc(-c4ccsc4)cn3)n12,UNXXNOGTJQCOOY-UHFFFAOYSA-N,2,1,0.605,97,744,403.442,4.633,5,0.428,0.76,1.0,0.6912480296072921,0.7581985470495511,0.7610770337879514,0.7661657871290521,0.7441723493934617
EOS-2-44035,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cn1,NKXAQDKUFNWJRI-UHFFFAOYSA-N,2,1,0.584,97,91,403.442,4.633,5,0.4,0.84,1.0,0.9183914741964224,0.7495459529847166,0.8316684942772942,0.8072870262490577,0.8267232369268728
EOS-2-44036,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)cc1,LNBMEQJCSKGWJQ-UHFFFAOYSA-N,2,1,0.605,57,326,403.442,4.633,5,0.428,0.79,1.0,0.7519703927078336,0.7539579192653005,0.7633729696388184,0.7966297717771229,0.7664827633472688
EOS-2-44037,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6nnc(C)n6C)c5)n34)cc2)cs1,MHITVQNOYFSMRP-UHFFFAOYSA-N,2,1,0.511,71,415,496.56,3.696,6,0.34,0.63,0.371,0.34078370228222876,0.20093722157494345,0.06610239188540881,0.051238777328490165,0.16476552326776778
EOS-2-44038,Cc1cncc(-c2nnc3cncc(OCc4ccnc(-c5nccs5)n4)n23)n1,ZOSDNRJMCLZXMA-UHFFFAOYSA-N,2,1,0.415,7,828,403.431,2.382,5,0.436,0.65,0.995,0.31364368446302515,0.22557569734768007,0.021665752861352888,0.01544616544445206,0.14408282502912753
EOS-2-44039,c1cnc(-c2ccc(-c3nnc4cncc(OCCc5cscn5)n34)nn2)cn1,NYUKRXXKHRNORZ-UHFFFAOYSA-N,2,1,0.53,53,411,403.431,2.116,5,0.42,0.71,0.968,0.42695839901309024,0.32277602631759306,0.03662360359125488,0.04078712905215544,0.20678628949352337
EOS-2-44040,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)n1,RRFVAUHSFXWCFN-UHFFFAOYSA-N,2,1,0.483,7,45,403.431,2.382,5,0.436,0.62,1.0,0.4501062298677267,0.39968131039682,0.05254951682544034,0.037120485230621614,0.23486438558015216
EOS-2-44041,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)nn1,JWEKLAMEPLDMBZ-UHFFFAOYSA-N,2,1,0.524,7,99,403.431,2.382,5,0.436,0.6,1.0,0.42696696593790695,0.302532382975807,0.0437512850387225,0.03829415393050511,0.20288619697073537
EOS-2-44042,Cc1nnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)s1,DPQYSGDRMHAJEU-UHFFFAOYSA-N,2,1,0.442,7,85,403.431,2.382,5,0.436,0.7,1.0,0.3407922692070454,0.3517579329723802,0.030215543828387363,0.027028647796586938,0.18744859845109998
EOS-2-44043,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncccn5)n34)cn2)s1,YVIFVBRCLCEUPO-UHFFFAOYSA-N,2,1,0.4,51,617,403.431,2.382,5,0.436,0.73,1.0,0.3753426769926667,0.4090192584469879,0.024724145020903296,0.017836337468302377,0.20673060448221506
EOS-2-44044,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccccc4-c4ccsc4)n23)ccc1F,OGRXUKHJRWVSFX-UHFFFAOYSA-N,2,1,0.469,41,177,496.571,6.121,6,0.266,0.7,1.0,0.7892279487355219,0.6163474059351655,0.8070214515797409,0.7732592008772531,0.7464640017819203
EOS-2-44045,Cn1ncc(-c2cncc(-c3nnc4cncc(Oc5ccsc5)n34)c2)cc1=O,NRXBUCJUSDDDMG-UHFFFAOYSA-N,2,1,0.372,2,36,403.427,2.801,5,0.455,0.63,1.0,0.3335360838873278,0.22558426427249675,0.28355664450688783,0.2592779795764512,0.2754887430607909
EOS-2-44046,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nnnn4C)n23)cn1,HMIAQMACVJBDNL-UHFFFAOYSA-N,2,1,0.438,31,105,403.41,0.732,5,0.403,0.77,1.0,0.26285895414981836,0.20539202247961072,0.007067712973750942,0.00508018641628401,0.12009971900486599
EOS-2-44047,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)nn2)cn1,CUELXCATRPSKPX-UHFFFAOYSA-N,2,1,0.33,53,44,403.41,1.172,5,0.41,0.69,1.0,0.07000034267699266,0.08676581454321157,0.010014735110684668,0.004326297032417243,0.04277679734082654
EOS-2-44048,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5nnnn5C)n34)cn2)c1,HRJINAIPHQXVFG-UHFFFAOYSA-N,2,1,0.447,92,986,403.41,0.732,5,0.403,0.76,1.0,0.3109108354465081,0.28186896031800424,0.00645089438695086,0.004514769378383935,0.1509363648824618
EOS-2-44049,CCCn1ncnc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,XSMJRWJMIGAUIA-UHFFFAOYSA-N,2,1,0.418,36,404,403.406,2.422,5,0.403,0.71,1.0,0.2757350421492701,0.09624940031526283,0.013818449729285176,0.012756151052018367,0.09963976081145912
EOS-2-44050,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2C)no1,KWSWATRQBLPFDO-UHFFFAOYSA-N,2,1,0.459,31,569,403.406,1.9,5,0.418,0.74,1.0,0.1444554862586526,0.006399492838050853,0.017296621204852307,0.012764717976835035,0.0452290795695977
EOS-2-44051,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)no1,KVROERMBSYHKKG-UHFFFAOYSA-N,2,1,0.517,89,731,403.402,2.251,5,0.459,0.74,1.0,0.46865362209581246,0.26113700226166814,0.2541720923857172,0.18661332328147487,0.29264401000616813
EOS-2-44052,COc1cc(-c2nnc3cncc(OCCc4ccoc4)n23)ccc1-c1cocn1,VILJINUOKFMODE-UHFFFAOYSA-N,2,1,0.542,35,777,403.398,3.669,5,0.406,0.71,1.0,0.5574926324446576,0.25104516482763345,0.5085840586663012,0.35198923994243025,0.4172777739702556
EOS-2-44053,Fc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1F,CMUVXIFSTQNKOS-UHFFFAOYSA-N,2,1,0.64,43,951,403.392,4.439,5,0.435,0.74,1.0,0.8619782742786649,0.8004249194709068,0.9467822630388596,0.9402114317044754,0.8873492221232266
EOS-2-44054,Fc1cc(F)cc(-c2nnc3cncc(OCCc4ccc5ccccc5n4)n23)c1,XTYOEMJWDJNEDH-UHFFFAOYSA-N,2,1,0.617,11,275,403.392,4.239,5,0.439,0.79,1.0,0.8936673291755192,0.9030909464738538,0.8114591186347748,0.8493763278733466,0.8643984305393736
EOS-2-44055,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1,PYWANFHKOPUZMX-UHFFFAOYSA-N,2,1,0.525,57,15,403.392,4.867,5,0.43,0.8,1.0,0.8112792132136248,0.8451442670139127,0.9390720307038586,0.9323726954972243,0.881967051607155
EOS-2-44056,Cn1nc(-c2nnc3cncc(OCc4cccnn4)n23)cc1-c1cc(F)ccn1,KPNJHPMEWDEBTL-UHFFFAOYSA-N,2,1,0.444,53,587,403.381,2.095,5,0.439,0.66,1.0,0.3259971900486601,0.2818775272428209,0.16146939894455486,0.17853471317935715,0.23696970735384826
EOS-2-44057,Cc1nc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)ncc1F,FKXZUUKLNPCFNP-UHFFFAOYSA-N,2,1,0.461,36,19,403.381,2.393,5,0.475,0.61,1.0,0.6338239325611679,0.5441967651291892,0.24334349941744912,0.2155352614625454,0.4092248646425879
EOS-2-44058,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cn4)n23)c1,VMOAGWHKIIEJDS-UHFFFAOYSA-N,2,1,0.439,87,304,403.381,2.127,5,0.458,0.71,1.0,0.603077239394147,0.5774021657185937,0.2079792337742444,0.21554382838736208,0.4010006168185868
EOS-2-44059,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cn2)n1,GDXSQNALJFYFBY-UHFFFAOYSA-N,2,1,0.488,55,283,403.381,2.095,5,0.411,0.71,0.96,0.5575011993694743,0.4714036049619629,0.2943081351518059,0.24163011445411556,0.3912107634843397
EOS-2-44060,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)nn2)cn1,ZRMOKOVDRGMUTK-UHFFFAOYSA-N,2,1,0.438,53,670,403.381,2.095,5,0.411,0.66,1.0,0.3209255705571928,0.30765540401617436,0.2327033787951477,0.2126910424234117,0.2684938489479816
EOS-2-44061,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cc1,QZXJRUDCBQGIOV-UHFFFAOYSA-N,2,1,0.595,36,447,403.381,2.095,5,0.439,0.76,1.0,0.5420464670002056,0.4939860187786992,0.22523302035501336,0.2473099856075663,0.3771438729353711
EOS-2-44062,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)cc1,IVLUSOSFAGUUJK-UHFFFAOYSA-N,2,1,0.6,36,447,403.381,2.095,5,0.439,0.73,1.0,0.5499451716811733,0.5078044685079843,0.2218490850524296,0.23880302926461516,0.3796004386265506
EOS-2-44063,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncccc5F)n34)cc2)n1,RPYMVCNDABVHNY-UHFFFAOYSA-N,2,1,0.556,36,447,403.381,2.095,5,0.439,0.73,1.0,0.5687581385785758,0.467171544102529,0.19045130559934206,0.19476903570694262,0.3552875059968474
EOS-2-44064,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1,OPHKPSAYHATAGW-UHFFFAOYSA-N,2,1,0.57,36,447,403.381,2.095,5,0.411,0.77,1.0,0.7033016928243437,0.49399458570351584,0.27205126447810296,0.2684445891302858,0.4344480330340621
EOS-2-44065,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(F)cc4)n23)n1,MXIMRCLNHCXZAP-UHFFFAOYSA-N,2,1,0.549,36,404,403.381,2.095,5,0.439,0.79,1.0,0.743009389349599,0.6689568912343226,0.13066273730381742,0.164896168871222,0.42688129668974023
EOS-2-44066,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)cn1,YTDAWEOWSMJKOD-UHFFFAOYSA-N,2,1,0.506,92,617,403.381,2.095,5,0.439,0.66,1.0,0.39782228771160305,0.4583219107669111,0.24683880474264958,0.23571893633061478,0.3346754848879446
EOS-2-44067,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)nc2)n1,UABFSWMNHREUEA-UHFFFAOYSA-N,2,1,0.44,46,122,403.381,2.095,5,0.411,0.66,1.0,0.39130285792611885,0.3851432389829347,0.1743369200191899,0.15167740387910356,0.27561510520183674
EOS-2-44068,Cn1nc(-c2nnc3cncc(OCc4cccnn4)n23)cc1-c1ccc(F)nc1,HRSQVUVJNCIZRL-UHFFFAOYSA-N,2,1,0.419,53,694,403.381,2.095,5,0.411,0.72,1.0,0.30565074360907407,0.2818860941676376,0.21459289973271195,0.20657425810431088,0.2521759989034336
EOS-2-44069,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)nc1,CVKUIWYIQKRANM-UHFFFAOYSA-N,2,1,0.438,46,62,403.381,2.095,5,0.411,0.62,1.0,0.4292372010143239,0.34692618737577957,0.31260708656020836,0.2712888081694195,0.34001482077993284
EOS-2-44070,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)n4)n23)cn1,YNKPGIADQRQYKC-UHFFFAOYSA-N,2,1,0.467,55,617,403.381,2.095,5,0.411,0.6,1.0,0.37535124391748337,0.4184600095949558,0.22185765197724625,0.20941847714344458,0.30627184565828247
EOS-2-44071,Cn1cnnc1COc1cncc2nnc(-c3ccc(-c4ccccn4)c(F)n3)n12,IMNCOPOHPIWZDE-UHFFFAOYSA-N,2,1,0.424,53,223,403.381,2.095,5,0.411,0.61,0.968,0.4108183126584881,0.38515180590775133,0.1082345281337811,0.12191590706599958,0.256530138441505
EOS-2-44072,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)c(F)n1,ZQBAKQAGTXTTQB-UHFFFAOYSA-N,2,1,0.447,55,283,403.381,2.393,5,0.444,0.53,1.0,0.5826194229319444,0.5720735384826263,0.3456925502021794,0.280198409978754,0.44514598039887604
EOS-2-44073,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)n4)n23)cc1,MUALFYZKYBBBRI-UHFFFAOYSA-N,2,1,0.573,36,447,403.381,2.095,5,0.411,0.74,1.0,0.552506682201357,0.48452813378109794,0.20088582002604344,0.21269960934822835,0.3626550613391817
EOS-2-44074,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5c[nH]cn5)n34)ncn2)nc1,PGUMSIPNGNPQPC-UHFFFAOYSA-N,2,1,0.378,31,481,403.381,2.127,5,0.458,0.71,0.89,0.5011308340758002,0.35667534781714755,0.20089438695086012,0.20942704406826126,0.3170319032280173
EOS-2-44075,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4ccncc4F)n23)c1,UFSBDECMXICHTJ-UHFFFAOYSA-N,2,1,0.455,2,36,403.381,2.095,5,0.439,0.65,1.0,0.45923857172229454,0.3900263861284353,0.3909173463093688,0.35497909670344735,0.39879035021588655
EOS-2-44076,Cn1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)c4)n23)nn1,WEUANEWKNXLPAM-UHFFFAOYSA-N,2,1,0.521,92,815,403.381,2.095,5,0.439,0.65,1.0,0.38014872181481735,0.4044616544445206,0.2685559591529025,0.26845315605510245,0.33040487286683573
EOS-2-44077,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cn1,VABWKNOQCXIZJH-UHFFFAOYSA-N,2,1,0.466,55,45,403.381,2.095,5,0.439,0.67,1.0,0.5659396203138921,0.47141217188677953,0.22896819957508052,0.2181995750805291,0.3711298917140703
EOS-2-44078,COc1ccc(F)c(-c2nnc3cncc(-c4ncc(-c5ccn(C)n5)nn4)n23)c1,SATPKYVEGXZMRY-UHFFFAOYSA-N,2,1,0.362,50,844,403.381,2.191,5,0.449,0.65,0.999,0.19173634432184222,0.3517664998971969,0.2146014666575286,0.20658282502912753,0.2411717839764238
EOS-2-44079,Cn1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nn4)n23)cn1,TVLMRFJNWSCLPM-UHFFFAOYSA-N,2,1,0.404,53,44,403.381,2.095,5,0.411,0.68,0.999,0.3891611267219519,0.3613357549174148,0.2835652114317045,0.25019703927078335,0.3210647830854636
EOS-2-44080,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)n1,HIVYFINLOBARCM-UHFFFAOYSA-N,2,1,0.427,55,283,403.381,2.095,5,0.411,0.7,1.0,0.3999468850661367,0.44066547871975875,0.19391234322527587,0.18398327736275785,0.3046269960934823
EOS-2-44081,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccnn4)n23)cc1F,BCMQFAHGJAFSFY-UHFFFAOYSA-N,2,1,0.529,36,610,403.381,2.095,5,0.439,0.69,1.0,0.49859502433006647,0.5303611815502707,0.23271194571996437,0.22696353916798026,0.3721579226920705
EOS-2-44082,Cn1cncc1COc1cncc2nnc(-c3ccc(-c4cncc(F)c4)nn3)n12,BKBANCLJXUSOOC-UHFFFAOYSA-N,2,1,0.402,53,411,403.381,2.095,5,0.439,0.67,0.991,0.4084881091083545,0.37589096018093343,0.2541806593105339,0.2416386813789322,0.3200496024946885
EOS-2-44083,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cn1,DZSLPCIFKFSCEP-UHFFFAOYSA-N,2,1,0.488,55,283,403.381,2.095,5,0.411,0.67,1.0,0.49115036666438217,0.42737817832910696,0.2981204166952231,0.26246487560825166,0.36977845932424097
EOS-2-44084,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cc1-c1cnccn1,SXIDTJHUTKWZGS-UHFFFAOYSA-N,2,1,0.416,7,62,403.381,2.095,5,0.439,0.53,1.0,0.4130028784867384,0.29253478171475567,0.22524158727983004,0.22376807621136316,0.28863683092317177
EOS-2-44085,Cn1ncnc1COc1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,LIJZODQNWCIALP-UHFFFAOYSA-N,2,1,0.402,55,45,403.381,2.095,5,0.411,0.69,1.0,0.4359108354465081,0.44956651360427663,0.18388047426495785,0.18399184428757454,0.3133374169008293
EOS-2-44086,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccncn5)n34)c(F)c2)cn1,AIMLUUFTHJGMKH-UHFFFAOYSA-N,2,1,0.424,92,435,403.381,2.095,5,0.439,0.7,1.0,0.38916969364676857,0.31281269275580836,0.33485539030909467,0.27729422246590363,0.3285329997943938
EOS-2-44087,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cn5)n34)n2)cn1,MOEYTTJVHIPHPQ-UHFFFAOYSA-N,2,1,0.398,7,399,403.381,2.095,5,0.439,0.69,1.0,0.36370879309163184,0.3227845932424097,0.24684737166746626,0.22377664313617984,0.2892793502844219
EOS-2-44088,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)n1,QXBRFFVIEGHXGN-UHFFFAOYSA-N,2,1,0.54,15,499,403.381,2.127,5,0.428,0.69,1.0,0.8619868412034816,0.7359331094510314,0.2613340415324515,0.26558323624151875,0.5312093071071208
EOS-2-44089,Cn1nncc1-c1cnc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cn1,KJXLLRMAPSCESA-UHFFFAOYSA-N,2,1,0.575,36,212,403.381,2.095,5,0.439,0.64,1.0,0.5600969775889246,0.5924713864711123,0.23609588102254814,0.2565451305599342,0.4113023439106298
EOS-2-44090,Cn1cc(COc2cncc3nnc(-c4cncc(-c5ccc(F)cn5)c4)n23)nn1,XSFJEJGSSAFHMW-UHFFFAOYSA-N,2,1,0.46,92,422,403.381,2.095,5,0.439,0.68,1.0,0.3109194023713248,0.3566839147419642,0.23610444794736482,0.2416472483037489,0.2863387533411007
EOS-2-44091,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cc2F)n1,UQAQWKKLAYTSOO-UHFFFAOYSA-N,2,1,0.536,36,610,403.381,2.095,5,0.439,0.68,1.0,0.54995373860599,0.572082105407443,0.23272051264478102,0.21555239531217874,0.39257718799259816
EOS-2-44092,Cc1cncc(Oc2cncc3nnc(-c4cc(-c5cncn5C)ncn4)n23)c1F,ZIOXGMWTGLJALS-UHFFFAOYSA-N,2,1,0.337,31,296,403.381,2.617,5,0.45,0.53,0.826,0.4911589335891988,0.39003495305325203,0.33108594338976083,0.2592865465012679,0.3678915941333699
EOS-2-44093,Cn1nccc1COc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)nn3)n12,IKOOKVOUSCBMMK-UHFFFAOYSA-N,2,1,0.385,53,670,403.381,2.095,5,0.411,0.65,1.0,0.37298677266808306,0.3517750668220136,0.2327290795695977,0.20659139195394421,0.2910205777534096
EOS-2-44094,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1,KRCFAEQXNRBJLR-UHFFFAOYSA-N,2,1,0.568,15,499,403.381,2.127,5,0.458,0.73,1.0,0.8936758961003358,0.7359416763758482,0.3457011171269961,0.3454355424576794,0.5801885580152149
EOS-2-44095,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3cncnc3)n12,OETGRCOTFRPSJJ-UHFFFAOYSA-N,2,1,0.54,47,361,403.381,2.127,5,0.458,0.67,1.0,0.8641885408813652,0.7794530875197039,0.32359845109999313,0.31404632992940856,0.5703216023576178
EOS-2-44096,Fc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1nc[nH]n1,BPBJDDHNLITYPZ-UHFFFAOYSA-N,2,1,0.552,47,361,403.381,2.127,5,0.458,0.59,1.0,0.8988417517647865,0.7838136522513879,0.327239394147077,0.32005174422589266,0.582486635597286
EOS-2-44097,Cn1ncnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)cn4)nc3)n12,JHURSRLCCSJQAA-UHFFFAOYSA-N,2,1,0.442,55,283,403.381,2.095,5,0.439,0.66,1.0,0.5369063121102049,0.49400315262833255,0.1457833596052361,0.15423891439928722,0.3327329346857652
EOS-2-44098,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ncccc4F)n23)c1,QZKUNIMMHUKXMZ-UHFFFAOYSA-N,2,1,0.467,36,728,403.381,2.095,5,0.439,0.81,1.0,0.4986035912548831,0.42738674525392367,0.154890000685354,0.1947776026317593,0.31891448495648006
EOS-2-44099,Fc1cc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1-c1c[nH]nn1,YUCNXFWTPPBELA-UHFFFAOYSA-N,2,1,0.489,37,482,403.381,2.127,5,0.458,0.63,1.0,0.7095555479405112,0.6885922829141251,0.2943167020766226,0.3200603111507093,0.5031312110204921
EOS-2-44100,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cn1,DENATVNLTYXEMZ-UHFFFAOYSA-N,2,1,0.483,55,283,403.381,2.095,5,0.439,0.66,0.999,0.5087039956137345,0.4406740456445754,0.29075286135288875,0.27412446028373655,0.3785638407237338
EOS-2-44101,Cn1cc(-c2cnnc(-c3nnc4cncc(OCc5cccc(F)n5)n34)c2)cn1,JQKYQSYEPKTNJG-UHFFFAOYSA-N,2,1,0.429,53,182,403.381,2.095,5,0.411,0.64,1.0,0.2954132684531561,0.24097046124323213,0.30525666506750737,0.2684617229799191,0.27752552943595366
EOS-2-44102,COc1cc(-c2nc(C)cs2)ccc1-c1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3)n12,WENLTTPLGJHPTD-UHFFFAOYSA-N,2,1,0.378,69,532,496.621,6.331,6,0.277,0.74,1.0,0.1889777945308752,0.10256322390514701,0.48781783291069836,0.3619354396545816,0.28532357275032555
EOS-2-44103,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1,UCVIQCCHPCXNLO-UHFFFAOYSA-N,2,1,0.583,72,889,403.377,2.997,5,0.426,0.74,1.0,0.904992803783154,0.7838222191762045,0.42724967445685696,0.39667431978616957,0.6281847543005963
EOS-2-44104,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,VVTPGYHKBCDPDZ-UHFFFAOYSA-N,2,1,0.576,72,889,403.377,2.997,5,0.426,0.75,1.0,0.9002552943595367,0.7794616544445206,0.4307792474813241,0.40934480159002123,0.6299602494688507
EOS-2-44105,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ncno4)nc3)n12,NJZGHTFBXLYLCV-UHFFFAOYSA-N,2,1,0.662,84,73,403.377,2.997,5,0.426,0.72,1.0,0.6426478651223357,0.6444040847097526,0.4346600644232746,0.4316616407374409,0.5383434137482009
EOS-2-44106,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nnco1,NTGZYNJXBFARFE-UHFFFAOYSA-N,2,1,0.61,72,386,403.377,2.997,5,0.426,0.69,1.0,0.9128658076896717,0.7582071139743678,0.48079295456103077,0.4568655335480776,0.6521828524432869
EOS-2-44107,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cocn5)n34)cc2)nn1,XYUJDUDYHIZVEG-UHFFFAOYSA-N,2,1,0.662,72,889,403.377,2.997,5,0.426,0.69,1.0,0.9169350969775889,0.7924062778425056,0.3873620725104516,0.36830066479336576,0.616251028030978
EOS-2-44108,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cn1,SFLOZPFKZQBYBC-UHFFFAOYSA-N,2,1,0.588,72,889,403.377,2.997,5,0.399,0.68,1.0,0.9378469604550751,0.8240439311904598,0.49422589267356587,0.4409995887876088,0.6742790932766773
EOS-2-44109,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)c(F)c1,XFRPUXKKWSZPFT-UHFFFAOYSA-N,2,1,0.524,16,770,403.377,3.263,5,0.44,0.73,1.0,0.7637584812555686,0.6444126516345693,0.48782639983551507,0.4377270235076417,0.5834311390583237
EOS-2-44110,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)ccn2)o1,FLMCDCMCFCUDFV-UHFFFAOYSA-N,2,1,0.573,75,43,403.377,3.263,5,0.44,0.7,1.0,0.5472037557398396,0.5032040298814338,0.4456257281886094,0.3747858268795833,0.4677048351723665
EOS-2-44111,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccncc5)n34)ccc2F)o1,CMNDGLZDYVJBHA-UHFFFAOYSA-N,2,1,0.57,4,534,403.377,3.263,5,0.44,0.79,1.0,0.6669950654513056,0.5119936947433349,0.47371667466246314,0.4188626550613392,0.5178920224796107
EOS-2-44112,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,MTSUKVOFHRRBQX-UHFFFAOYSA-N,2,1,0.568,72,889,403.377,2.997,5,0.426,0.71,1.0,0.9406312110204921,0.7924148447673223,0.4878349667603317,0.45687410047289423,0.66943878075526
EOS-2-44113,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccncc5)n34)cc2F)o1,ULIRLSLUANNMRC-UHFFFAOYSA-N,2,1,0.543,72,214,403.377,3.263,5,0.44,0.74,1.0,0.7249931464601467,0.6444212185593859,0.46688026865876225,0.412651634569255,0.5622365670618875
EOS-2-44114,Fc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)c1,WNPYRDKRFASNPB-UHFFFAOYSA-N,2,1,0.495,2,76,403.377,2.997,5,0.426,0.75,1.0,0.7187478582687958,0.5120022616681515,0.43856658213967514,0.4126602014940717,0.5204942258926736
EOS-2-44115,COc1cc(F)ccc1-c1nnc2cncc(-c3cncc(-c4nnc(C)o4)c3)n12,QYPIMYLIMWNRHW-UHFFFAOYSA-N,2,1,0.383,82,859,403.377,3.359,5,0.45,0.7,1.0,0.5268573093002535,0.5120108285929683,0.44563429511342606,0.38733637173600166,0.4679597011856624
EOS-2-44116,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2)o1,SMLYAQJMBYQCBE-UHFFFAOYSA-N,2,1,0.524,72,22,403.377,3.263,5,0.412,0.75,1.0,0.7033102597491604,0.597097525872113,0.37227571790829966,0.3170618874648756,0.4974363477486121
EOS-2-44117,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cc2)o1,XZYHERJRWJTAGW-UHFFFAOYSA-N,2,1,0.568,4,22,403.377,3.263,5,0.44,0.79,1.0,0.6793657048865739,0.6252056061956001,0.4018573093002536,0.34544410938249603,0.5129681824412309
EOS-2-44118,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cc2)o1,VUGACASRAVNBIV-UHFFFAOYSA-N,2,1,0.588,72,22,403.377,3.263,5,0.412,0.79,1.0,0.8218336645877595,0.6016294291001302,0.4596497841134946,0.38113391816873415,0.5660616989925297
EOS-2-44119,Fc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ncon1,BKFARWPDAFIPMB-UHFFFAOYSA-N,2,1,0.642,15,325,403.377,2.997,5,0.426,0.71,1.0,0.8529830032211637,0.7359502433006648,0.37616510177506685,0.37151326159961623,0.584152902474128
EOS-2-44120,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)c1,NZGUEERBFWXJTF-UHFFFAOYSA-N,2,1,0.558,19,159,403.377,2.997,5,0.426,0.74,1.0,0.7187564251936125,0.5826708244808444,0.4307878144061408,0.43167020766225755,0.5409713179357138
EOS-2-44121,Cn1cc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)c(O)c4)n23)cn1,IFMWCCUDYRBIGJ-UHFFFAOYSA-N,2,1,0.443,13,374,403.377,3.224,5,0.491,0.68,1.0,0.5087125625385511,0.5442053320540059,0.622447056404633,0.5438626550613391,0.5548069015146323
EOS-2-44122,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2F)o1,XJROQZIUMCDHJR-UHFFFAOYSA-N,2,1,0.544,16,815,403.377,3.263,5,0.44,0.68,1.0,0.7339370159687478,0.6786717839764238,0.5047032417243507,0.41887122198615584,0.5840458159139195
EOS-2-44123,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)cn1,VQXACLVIRMICAL-UHFFFAOYSA-N,2,1,0.531,35,76,403.377,2.997,5,0.399,0.71,1.0,0.7977520389281064,0.6984014118292098,0.47372524158727985,0.4188797889109725,0.5971896203138921
EOS-2-44124,Fc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1nnco1,SEIFCKPAFVHSEE-UHFFFAOYSA-N,2,1,0.625,35,393,403.377,2.997,5,0.426,0.69,1.0,0.8846806250428346,0.7406106504009321,0.5157288739634021,0.47837708176273047,0.6548493077924747
EOS-2-44125,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)n1,FZUCPHLJWKOILL-UHFFFAOYSA-N,2,1,0.489,87,173,403.377,2.997,5,0.399,0.7,1.0,0.6368052223973683,0.48050167911726405,0.3497961071893633,0.3230501679117264,0.44753829415393054
EOS-2-44126,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ncco5)c4)n23)ccn1,VFMCZRCBEUZPBQ-UHFFFAOYSA-N,2,1,0.577,75,583,403.377,2.997,5,0.399,0.63,1.0,0.8190751147967925,0.5350301555753547,0.4160869714207388,0.365070934137482,0.5338157939825919
EOS-2-44127,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)no1,PPBWQNHDLFLRCJ-UHFFFAOYSA-N,2,1,0.494,97,19,403.377,3.263,5,0.412,0.71,1.0,0.6763929819751902,0.582679391405661,0.3534970187101638,0.3486738400383798,0.4903108080323487
EOS-2-44128,FCc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccnc5)n34)cc2)o1,IBLXRWUQFVPJLS-UHFFFAOYSA-N,2,1,0.561,72,22,403.377,3.285,5,0.425,0.79,1.0,0.5601055445137414,0.40902782537180454,0.3015985881707902,0.2712973750942362,0.3855073332876431
EOS-2-44129,Fc1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c(F)c1F,OOZSIFYCPSANLF-UHFFFAOYSA-N,2,1,0.37,83,558,403.367,4.938,5,0.401,0.83,1.0,0.41530738126242206,0.6738057706805565,0.9786083887327804,0.9818466863134809,0.7623920567473099
EOS-2-44130,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccncc5F)n34)cc2)cc1F,FRJCLOUBCNSGRV-UHFFFAOYSA-N,2,1,0.4,83,558,403.367,4.938,5,0.428,0.83,1.0,0.5242443972311699,0.721917620450963,0.9796107189363306,0.9852049208416147,0.8027444143650195
EOS-2-44131,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)cc2)cn1,QQXKKKGBWXCVEP-UHFFFAOYSA-N,2,1,0.389,83,558,403.367,4.938,5,0.401,0.82,1.0,0.4710866287437461,0.7669282434377356,0.9788739634020972,0.9839712836680146,0.8002150298128983
EOS-2-44132,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5F)nc4)n23)cc1,SMHSKLGIQWEDPF-UHFFFAOYSA-N,2,1,0.462,83,533,403.367,4.938,5,0.428,0.86,1.0,0.47109519566856284,0.7959958193406894,0.9715064080597628,0.9809728599821808,0.804892570762799
EOS-2-44133,Fc1ccc(-c2nnc3cncc(-c4cccc(-c5ccccc5F)n4)n23)cc1F,IWMFINUTLZRBIJ-UHFFFAOYSA-N,2,1,0.394,45,533,403.367,4.938,5,0.428,0.84,1.0,0.42924576793914054,0.7174114179973956,0.9598553903090946,0.972971352203413,0.7698709821122609
EOS-2-44134,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5nnco5)nn4)n23)cc1,WRSIQYBSHJXTEY-UHFFFAOYSA-N,2,1,0.523,36,226,403.362,1.098,5,0.434,0.75,1.0,0.5345247070111713,0.3368429168665616,0.06808991844287575,0.06763587142759235,0.2517733534370502
EOS-2-44135,N=c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(F)nc5)n34)nc2F)c[nH]1,KCIBCZQPEIEVTF-UHFFFAOYSA-N,2,1,0.256,50,478,403.356,2.396,5,0.446,0.67,0.999,0.19718490850524295,0.22026420396134602,0.607540607223631,0.5853522719484614,0.40258549790967035
EOS-2-44136,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5cccc(F)n5)nn4)n23)c1,FWVHCTHSICCXFU-UHFFFAOYSA-N,2,1,0.506,19,691,403.352,3.714,5,0.423,0.7,0.996,0.6641508464121719,0.6207765060653828,0.6308854773490508,0.6942036186690426,0.652504112123912
EOS-2-44137,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)c(F)c1,MDJUOIXOLWBLBW-UHFFFAOYSA-N,2,1,0.519,13,110,403.352,3.714,5,0.452,0.78,1.0,0.7065228565554109,0.6933554931121925,0.7842591323418545,0.7756579398259201,0.7399488554588445
EOS-2-44138,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c(F)c1,ZTKZXZRFRCRDQI-UHFFFAOYSA-N,2,1,0.419,13,110,403.352,3.714,5,0.452,0.81,1.0,0.7033188266739772,0.6786803509012405,0.772719484613803,0.7685645260777192,0.730820797066685
EOS-2-44139,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)c1,IGYVXZBAGKAXBK-UHFFFAOYSA-N,2,1,0.59,13,995,403.352,3.714,5,0.423,0.82,1.0,0.7279573024467137,0.7622335686382017,0.7633815365636352,0.7531354944829004,0.7516769755328627
EOS-2-44140,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)c(F)c1,CKKOSVTWQXRDDE-UHFFFAOYSA-N,2,1,0.512,13,145,403.352,3.714,5,0.452,0.82,1.0,0.8293639915016106,0.7838307861010212,0.8446131176752792,0.8401925844698787,0.8245001199369474
EOS-2-44141,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)cc1F,UGFSSEJXJSFTMS-UHFFFAOYSA-N,2,1,0.543,13,573,403.352,3.714,5,0.452,0.72,1.0,0.7693098485367692,0.6591648961688712,0.8429939688849291,0.8381536563635118,0.7774055924885203
EOS-2-44142,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)c(F)c1,MHIHKOZZCXIKBO-UHFFFAOYSA-N,2,1,0.47,13,995,403.352,3.714,5,0.452,0.76,1.0,0.6253769446919334,0.6546415598656706,0.8618840381056816,0.8560670961551642,0.7494924097046125
EOS-2-44143,Fc1ccc(-c2cnc(Oc3cncc4nnc(-c5cccnc5)n34)c(F)c2)nc1,PRPJXQIJSVXQHU-UHFFFAOYSA-N,2,1,0.389,2,995,403.352,3.714,5,0.452,0.77,1.0,0.7065314234802276,0.6886008498389418,0.7085532177369611,0.6912565965321088,0.6987355218970598
EOS-2-44144,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5cccc(F)n5)n34)cn2)cn1,MOKCJOYSQYVYGE-UHFFFAOYSA-N,2,1,0.364,13,284,403.352,3.714,5,0.423,0.74,1.0,0.6883609759440751,0.6349976012610513,0.7137190734014118,0.702445000342677,0.6848806627373039
EOS-2-44145,Cc1cccc(-c2nc(Cl)ncc2-c2cncc3nnc(-c4ccc(F)c(Br)c4)n23)n1,HTQRNDKSFSINQV-UHFFFAOYSA-N,2,1,0.358,45,575,496.731,5.174,5,0.32,0.66,1.0,0.3891782605715852,0.6786889178260571,0.7564166266876842,0.8009218011102734,0.6563014015488999
EOS-2-44146,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(Br)cc3)n12,VCABHCYGKYBBGP-UHFFFAOYSA-N,2,1,0.658,57,798,496.752,5.75,5,0.308,0.78,1.0,0.9397745185388253,0.9213641971078061,0.7293879788910973,0.789767664998972,0.8450735898841752
EOS-2-44154,Cn1nc(-c2ccc(Br)cc2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,HSUQZFHHVHOLPD-UHFFFAOYSA-N,2,1,0.625,34,372,496.756,4.582,5,0.354,0.73,1.0,0.7519789596326503,0.8885957096840518,0.40543828387362074,0.5468953464464396,0.6482270749091906
EOS-2-44165,Fc1ccccc1-c1nnc2cncc(OCCc3cc(Cl)cc(Cl)c3)n12,FFOUBDCREKCYPC-UHFFFAOYSA-N,2,1,0.818,23,370,403.244,4.859,4,0.478,0.8,1.0,0.9614488383249948,0.9809728599821808,0.9479644986635597,0.9737595092865465,0.9660364265643204
EOS-2-44168,COc1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c(OC)n1,YNVQOWVUWPFAED-UHFFFAOYSA-N,2,1,0.447,90,861,403.229,3.572,4,0.515,0.77,1.0,0.4359194023713248,0.4845367007059146,0.4910218627921321,0.5067421698307175,0.47955503392502224
EOS-2-44169,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)c2)nc1,NMZDLFFFMDLGKO-UHFFFAOYSA-N,2,1,0.74,57,485,496.785,6.435,5,0.271,0.77,1.0,0.9714978411349462,0.9500119936947433,0.952213693372627,0.9721917620450963,0.9614788225618532
EOS-2-44170,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cn2)cc1,ZPOKKBSRNFKBGS-UHFFFAOYSA-N,2,1,0.6,57,732,496.785,6.435,5,0.271,0.79,1.0,0.9211585909122062,0.9738794462339798,0.9426101706531423,0.9722003289699129,0.9524621341923104
EOS-2-44171,Clc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc(-c2nnsc2Cl)n1,RYHMAXBFKQVGGT-UHFFFAOYSA-N,2,1,0.524,4,964,496.792,5.306,5,0.305,0.6,0.683,0.4269755328627236,0.6394609690905353,0.4346686313480913,0.6420824480844356,0.5357968953464465
EOS-2-44172,Clc1ccc(-c2nnc3cncc(OCc4sncc4-c4nnc(Cl)s4)n23)c(Cl)c1,WTJZMMXHFVXGIQ-UHFFFAOYSA-N,2,1,0.529,34,10,496.792,5.306,5,0.326,0.59,1.0,0.6085258035775478,0.7669368103625522,0.3761736686998835,0.6392210951956686,0.597714344458913
EOS-2-44173,OCCOc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cncc(Cl)c1,ZRUFBIDYGCARFO-UHFFFAOYSA-N,2,1,0.38,13,145,496.861,4.343,5,0.354,0.72,1.0,0.8507727366184634,0.745228222877116,0.8462322664656295,0.8402011513946953,0.8206085943389761
EOS-2-44174,Cc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(-c2ccc(OC(F)F)cn2)n1,UCGCVPSAFIDKPO-UHFFFAOYSA-N,2,1,0.448,51,196,496.865,4.181,5,0.327,0.59,0.938,0.8936844630251525,0.8914570625728189,0.6308940442738674,0.5883592625591118,0.7510987081077376
EOS-2-44175,Cc1nc(-c2ccc(OC(F)F)cc2)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)n1,FTVRDFYUCWHQQD-UHFFFAOYSA-N,2,1,0.5,44,996,496.865,4.181,5,0.327,0.72,1.0,0.6398721814817353,0.7406192173257488,0.6795884449318073,0.6534935919402372,0.6783933589198821
EOS-2-44176,FC(F)Oc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nn4)n23)nc1,AATZEPTZBHYBDH-UHFFFAOYSA-N,2,1,0.511,54,411,496.865,3.915,5,0.315,0.62,0.835,0.7398567610170653,0.8277705434857103,0.7061116441642108,0.7024535672674936,0.74404812898362
EOS-2-44177,Cn1nc(-c2cc(F)c(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2F)ccc1=O,YGLZJJDKIBPACQ-UHFFFAOYSA-N,2,1,0.408,95,814,496.865,2.895,5,0.33,0.63,0.737,0.5420550339250223,0.4228891097251731,0.3722842848331163,0.43491707216777464,0.44303637516277156
EOS-2-44178,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nc2F)ccc1=O,AQGKFBVIQYLRCH-UHFFFAOYSA-N,2,1,0.41,58,773,496.865,2.895,5,0.33,0.63,0.716,0.5393907203070386,0.4495750805290933,0.4878435336851484,0.5137413474059351,0.49763767048180385
EOS-2-44179,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)cc1OC(F)F,RSPIVWDWSZYCEO-UHFFFAOYSA-N,2,1,0.646,57,23,496.876,6.431,5,0.26,0.79,1.0,0.9871239120005483,0.9886231238434652,0.9922554999657323,0.9936005071619491,0.9904007607429237
EOS-2-44180,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)c(Cl)c1,MQWMUBYYDYSGLL-UHFFFAOYSA-N,2,1,0.568,79,590,496.876,6.835,5,0.258,0.78,1.0,0.9738623123843465,0.982052292509081,0.9960934822835995,0.9941059557261326,0.98652851072579
EOS-2-44181,FC(F)(F)Oc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,UJWAHFGGBFGSQF-UHFFFAOYSA-N,2,1,0.576,79,23,496.876,6.589,5,0.265,0.76,1.0,0.9794565142896305,0.9801847028990474,0.9946713727640326,0.9939089164553492,0.9870553766020149
EOS-2-44182,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)cc1,SXUVHAZNVZLLLL-UHFFFAOYSA-N,2,1,0.646,79,640,496.876,6.589,5,0.265,0.85,1.0,0.9784884517853472,0.9812727023507641,0.9959478445617161,0.9956394352683161,0.9878371084915359
EOS-2-44183,FC(F)(F)Oc1ccc(-c2ccccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,KKBDFVLFPBWKNF-UHFFFAOYSA-N,2,1,0.63,79,640,496.876,6.589,5,0.265,0.82,1.0,0.997549859502433,0.9957079706668495,0.9953310259749161,0.9952539236515661,0.9959606949489412
EOS-2-44184,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1,KUWDZMUBGUVRHT-UHFFFAOYSA-N,2,1,0.703,79,23,496.876,6.589,5,0.265,0.86,1.0,0.9955109313960661,0.9909704612432322,0.9964018915769995,0.9958964430128161,0.9946949318072784
EOS-2-44185,Fc1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)c(F)c1,NWVSXDGFJTUNON-UHFFFAOYSA-N,2,1,0.74,57,485,496.876,6.276,5,0.265,0.77,1.0,0.9968388047426496,0.9990319374957165,0.9848793776985814,0.9863357549174149,0.9917714687135906
EOS-2-44186,FC(F)(F)Oc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1,GNJUXFCLFXBENK-UHFFFAOYSA-N,2,1,0.667,79,640,496.876,6.589,5,0.265,0.81,1.0,0.994585703515866,0.9947741758618326,0.9961020492084162,0.9959050099376328,0.9953417346309368
EOS-2-44187,FC(F)(F)Oc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)cc3)n12,SKXVDDSVBRGWDS-UHFFFAOYSA-N,2,1,0.617,79,23,496.876,6.589,5,0.265,0.79,1.0,0.9942258926735659,0.9888372969638819,0.995074018230416,0.9942687272976493,0.9931014837913782
EOS-2-44188,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Oc1c(F)cccc1F,XVNLTFQACQCIMN-UHFFFAOYSA-N,2,1,0.724,57,485,496.876,6.276,5,0.265,0.68,1.0,0.9969501747652663,0.9991604413679666,0.9827033787951477,0.9832687958330477,0.990520697690357
EOS-2-44189,FC(F)(F)Oc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)c1,JPSSLMHCBBJZIF-UHFFFAOYSA-N,2,1,0.602,79,640,496.876,6.589,5,0.265,0.86,1.0,0.9837828113220478,0.984990747721198,0.9956223014186828,0.9952624905763827,0.9899145877595779
EOS-2-44190,Cn1nnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)c(-c5cccc(C#N)c5)c4)n23)no1,BGFDGBRXYMNMCR-UHFFFAOYSA-N,2,1,0.398,67,622,496.878,3.954,6,0.343,0.71,1.0,0.49861215817969984,0.6493557672537866,0.4529418819820437,0.5438712219861559,0.5361952573504215
EOS-2-44191,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)cn1,OWPKECQOSWMGBO-UHFFFAOYSA-N,2,1,0.602,1,922,496.88,5.542,5,0.307,0.78,1.0,0.9721831951202796,0.9764152559797136,0.9737595092865465,0.9480416009869097,0.9675998903433625
EOS-2-44192,N#CCn1cnnc1-c1ccc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,RARPIBGLPPERMH-UHFFFAOYSA-N,2,1,0.365,67,789,496.882,3.199,6,0.362,0.64,1.0,0.6085343705023645,0.6207850729901995,0.2115430744979782,0.25336680145295043,0.42355732986087313
EOS-2-44193,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(F)cc1-c1c(C)oc(=O)n1C,CKXWPAFXICCSNM-UHFFFAOYSA-N,2,1,0.432,16,458,496.886,3.834,5,0.349,0.55,1.0,0.5742923720101433,0.4940117195531492,0.5324001096566376,0.4631279555890617,0.5159580392022479
EOS-2-44194,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1c(C)oc(=O)n1C,CPYJTOGYTBXCNW-UHFFFAOYSA-N,2,1,0.448,16,458,496.886,3.834,5,0.349,0.57,1.0,0.5214344458913028,0.5214344458913028,0.4668888355835789,0.39983551504352,0.47739831060242616
EOS-2-44195,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4Cl)n23)ccc1-c1c(C)oc(=O)n1C,VPRNOZAKOWVLPR-UHFFFAOYSA-N,2,1,0.447,16,458,496.886,3.834,5,0.349,0.64,1.0,0.6030858063189637,0.5078130354328011,0.5728531286409431,0.487466588993215,0.5428046398464808
EOS-2-44196,O=c1[nH]cncc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)c(F)n1,CMXNNANGCAFSGI-UHFFFAOYSA-N,2,1,0.345,69,192,496.893,4.458,6,0.358,0.67,1.0,0.41744054554177235,0.5442138989788226,0.6985641834007265,0.7920550339250223,0.613068415461586
EOS-2-44197,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)c(-c6cncc(F)c6)c5)n34)cn2)nn1,DPJFUUXMDQIVAE-UHFFFAOYSA-N,2,1,0.313,86,443,496.897,4.263,6,0.352,0.61,1.0,0.3545507504626139,0.5584435610993078,0.5527551230210404,0.6364882461791516,0.5255594201905284
EOS-2-44198,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5Cl)cn4)n23)nc1,SPFRWYKUVWVNAM-UHFFFAOYSA-N,2,1,0.386,30,737,496.908,6.514,6,0.278,0.79,1.0,0.28971626345007195,0.5214430128161195,0.9535587005688438,0.9729799191282297,0.6844244739908162
EOS-2-44199,Fc1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)ccc4-c4cccc(Cl)c4)n23)cc1,CUNFXCMVJBSQBL-UHFFFAOYSA-N,2,1,0.405,83,192,496.908,6.514,6,0.278,0.79,1.0,0.4313360975944075,0.6835806318963745,0.9479730655883764,0.9689363306147625,0.7579565314234802
EOS-2-44200,FC(F)CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,AQDLFBCILUIXBK-UHFFFAOYSA-N,2,1,0.456,65,349,496.909,4.375,5,0.279,0.7,1.0,0.4153159481872387,0.4714207388115962,0.6876327873346584,0.682792474813241,0.5642904872866836
EOS-2-44201,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cc1Oc1ccccc1,PFUUYDTXLVPSNR-UHFFFAOYSA-N,2,1,0.539,17,593,496.914,5.866,6,0.27,0.68,1.0,0.9097988486053047,0.9194623397985059,0.8259372215749434,0.8052737989171407,0.8651180522239736
EOS-2-44202,Oc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4Cl)n23)cc1,XFLZJZLWVYRJAV-UHFFFAOYSA-N,2,1,0.489,12,994,496.914,5.446,6,0.324,0.69,1.0,0.8507813035432801,0.8382907271605784,0.8398327736275787,0.828010417380577,0.8392288054280036
EOS-2-44203,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccc(Cl)cc6)nn5)n34)cc2)no1,IUTWGSGHGWXAPV-UHFFFAOYSA-N,2,1,0.512,77,937,496.918,4.839,6,0.319,0.77,1.0,0.7218233842779795,0.7452367898019328,0.4491381673634432,0.4662634500719622,0.5956154478788294
EOS-2-44204,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,KKAQTTIYZKMESJ-UHFFFAOYSA-N,2,1,0.506,28,147,496.918,4.839,6,0.319,0.69,1.0,0.6641594133369886,0.7219261873757796,0.43079638133095743,0.4538328421629772,0.5676787060516757
EOS-2-44205,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)c(Cl)c2)o1,OILXHHJUZCUZQH-UHFFFAOYSA-N,2,1,0.489,77,190,496.918,4.839,6,0.319,0.69,1.0,0.7781851826468371,0.7312041669522308,0.6433417860324858,0.6187375779590158,0.6928671783976423
EOS-2-44206,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccc(Cl)cn6)cn5)n34)cc2)o1,IAVJTGIGMOVGRS-UHFFFAOYSA-N,2,1,0.511,81,937,496.918,4.839,6,0.319,0.7,1.0,0.6545730244671373,0.6738143376053731,0.4942344595983826,0.46627201699677884,0.5722234596669179
EOS-2-44207,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccc(Cl)nc6)n5)n34)cc2)n1,FDNBMYNHFNKDSL-UHFFFAOYSA-N,2,1,0.429,40,59,496.918,4.839,6,0.298,0.7,1.0,0.5743009389349599,0.6064611746967309,0.40186587622507025,0.4093533685148379,0.4979953395928997
EOS-2-44208,Cc1nc(-c2cccc(COc3cncc4nnc(-c5cc(-c6ccc(Cl)cc6)ccn5)n34)n2)no1,MHGQFWYNJSDHMG-UHFFFAOYSA-N,2,1,0.438,28,414,496.918,4.839,6,0.319,0.77,1.0,0.41990781988897263,0.5303697484750873,0.36828353094373245,0.4251936125008567,0.4359386779521623
EOS-2-44209,COc1nc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccc5nccnc5n4)cc3)n12,XIHBYNGPKBKETP-UHFFFAOYSA-N,2,1,0.438,40,933,496.918,4.433,6,0.309,0.64,1.0,0.7892365156603386,0.7359588102254815,0.4633335617846618,0.4316787745870742,0.6050519155643891
EOS-2-44210,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccc(Cl)cc6)n5)n34)cc2)nn1,CWSWXNUCOXURBE-UHFFFAOYSA-N,2,1,0.494,77,937,496.918,4.839,6,0.319,0.75,1.0,0.6115327941881982,0.7032931258995271,0.4088736207251045,0.44100815571242546,0.5411769241313138
EOS-2-44211,Cn1cnc(-c2ccccc2)c1-c1nnc2cncc(OCc3ncc(Cl)c(-c4ccnnc4)n3)n12,COHUAJNWANBDTK-UHFFFAOYSA-N,2,1,0.356,6,428,496.922,3.671,6,0.34,0.61,1.0,0.34307107120827907,0.32738503186896034,0.15816256596532108,0.2210180933452128,0.2624091905969433
EOS-2-44212,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnc(Cl)cn6)cn5)n34)cc2)nn1,LEXDWZNVIOMKBP-UHFFFAOYSA-N,2,1,0.489,40,355,496.922,3.671,6,0.34,0.64,1.0,0.3592711260365979,0.4629566170927284,0.4018744431498869,0.3715218285244329,0.3989060037009115
EOS-2-44213,CCn1cnnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cn1,VWRLHVFCNWNDFU-UHFFFAOYSA-N,2,1,0.38,6,297,496.922,4.367,6,0.33,0.64,0.994,0.45476663696799396,0.49878349667603317,0.2252501542046467,0.2655918031663354,0.3610980227537523
EOS-2-44214,COc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnnn6C)ccc5Cl)n34)cc2)cn1,VSJYRDWFLWMSSX-UHFFFAOYSA-N,2,1,0.333,25,219,496.922,3.768,6,0.351,0.74,1.0,0.35222911383729694,0.46296518401754505,0.34980467411418,0.3683092317181824,0.3833270509218011
EOS-2-44215,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)nc1Cl,CZFKENPDWXYAQE-UHFFFAOYSA-N,2,1,0.404,6,414,496.922,3.671,6,0.318,0.61,0.988,0.41301144541155504,0.4273953121787403,0.24685593859228291,0.24450860119251594,0.33294282434377354
EOS-2-44216,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccnc(Cl)n6)cc5)n34)nc2)cn1,WGQWDRCNPUEUCH-UHFFFAOYSA-N,2,1,0.435,56,518,496.922,3.671,6,0.318,0.67,1.0,0.5214430128161195,0.5303783153999041,0.39465252552943597,0.3423171818244123,0.44719775889246793
EOS-2-44217,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccccc5)c4)n23)n1,KRBZFEWNQIRXGG-UHFFFAOYSA-N,2,1,0.436,81,807,496.922,3.671,6,0.34,0.76,1.0,0.5317233225961209,0.7406277842505654,0.19392091015009252,0.3140548968542252,0.44508172846275096
EOS-2-44218,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)c5)cn4)n23)cc1,YABWJNOTCXNSLN-UHFFFAOYSA-N,2,1,0.455,56,197,496.922,3.671,6,0.34,0.72,1.0,0.6485590432458365,0.5720906723322596,0.34570968405181274,0.3650795010622987,0.4828597251730519
EOS-2-44219,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)c5)cn4)n23)cc1,OCBSUOVJBJJRKZ-UHFFFAOYSA-N,2,1,0.467,56,415,496.922,3.671,6,0.34,0.67,1.0,0.5885391679802618,0.5442224659036392,0.35350558563498047,0.36508806798711535,0.4628388218764992
EOS-2-44220,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)nc5-c5cccc(Cl)c5)n34)nc2)cn1,KCQICRXVTLFGQG-UHFFFAOYSA-N,2,1,0.337,32,714,496.937,5.591,6,0.289,0.71,1.0,0.2655147008429854,0.33195976972106095,0.690322801727092,0.7429922554999657,0.507697381947776
EOS-2-44221,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cc5Cl)n34)c(F)c2)cn1,DYUARRGZHRPJJD-UHFFFAOYSA-N,2,1,0.313,42,192,496.937,5.417,6,0.324,0.65,1.0,0.20008909601809335,0.3947124940031526,0.8477486121581796,0.8420601740799123,0.5711525940648345
EOS-2-44222,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccc2F)cn1,JQMQRUMQOUPFPH-UHFFFAOYSA-N,2,1,0.479,37,494,496.955,4.87,5,0.303,0.72,1.0,0.8138235898841751,0.8517065314234802,0.6433503529573025,0.6392296621204853,0.7370275340963608
EOS-2-44223,O=C(c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1)N1Cc2ccccc2C1,JFUHWSLFTMOJJQ-UHFFFAOYSA-N,2,1,0.596,79,824,496.958,4.617,6,0.341,0.72,1.0,0.5242529641559865,0.4583304776917278,0.3609159756013981,0.4504660407100267,0.44849136453978483
EOS-2-44224,Cn1ccc(-c2ccc(-c3ccc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)n3C)cn2)n1,LWUFGNFVRDTMFU-UHFFFAOYSA-N,2,1,0.506,81,218,496.962,4.825,6,0.328,0.57,1.0,0.594493180727846,0.7880971146597218,0.6464515797409361,0.6032742786649304,0.6580790384483586
EOS-2-44225,Cn1cncc2nc-2cccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)n4C)c3)n12,QFSNPCQXFHNLOR-UHFFFAOYSA-N,2,1,0.373,5,548,496.962,4.539,6,0.405,0.53,0.003,0.5187015968747858,0.5584521280241245,0.3348639572339113,0.18662189020629155,0.3996598930847783
EOS-2-44226,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cnn(-c6ccccc6)c5Cl)n34)c2)cn1,VWLFRTZIHGGFCA-UHFFFAOYSA-N,2,1,0.517,77,807,496.962,4.652,6,0.319,0.69,1.0,0.5011394010006168,0.5826879583304777,0.5157374408882187,0.5438797889109726,0.5358611472825714
EOS-2-44227,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnn(-c6ccccc6)c5Cl)n34)cc2)n1,VZLLMOXVMHPMCA-UHFFFAOYSA-N,2,1,0.523,77,755,496.962,4.652,6,0.319,0.63,1.0,0.7065399904050442,0.7128452470701118,0.470367007059146,0.49668460009594956,0.5966092111575629
EOS-2-44228,Clc1ccccc1-c1cnsc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,CZNXHESUYPHRKA-UHFFFAOYSA-N,2,1,0.506,12,427,496.983,6.209,6,0.273,0.73,1.0,0.7781937495716538,0.7582156808991845,0.7321636625316976,0.7897762319237887,0.7645873312315812
EOS-2-44229,COc1cc(-c2csc(Cl)n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,AIBIXAPWYYYOFV-UHFFFAOYSA-N,2,1,0.337,30,737,496.983,6.306,6,0.278,0.75,1.0,0.3161280926598588,0.327393598793777,0.7472500171338496,0.7430008224247824,0.533443132753067
EOS-2-44230,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(-c6ccccc6)s5)c4)n23)cc1,AHJKKTVMKVDVCE-UHFFFAOYSA-N,2,1,0.658,12,897,496.983,6.209,6,0.273,0.79,1.0,0.897179768350353,0.9532588582002605,0.6931241861421424,0.7480895757658831,0.8229130971146598
EOS-2-44231,CCOCc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)nn1C,GDADAWOXZFWVKM-UHFFFAOYSA-N,2,1,0.465,31,359,496.984,3.855,5,0.303,0.61,0.703,0.34552121170584604,0.3900435199780687,0.04549037077650606,0.06270132273319169,0.21093910629840312
EOS-2-44232,CC(C)(C)n1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccc2F)cn1,XXGZSQNRMSWKFV-UHFFFAOYSA-N,2,1,0.5,37,394,496.999,5.885,5,0.293,0.62,0.998,0.6702590638064561,0.7219347543005963,0.7321722294565143,0.6096909053526146,0.6835142382290453
EOS-2-44233,Cc1ccc(-c2cncnc2Cl)cc1-c1cncc2nnc(-c3nccn3C)n12,FXIGRGUSDLCDAP-UHFFFAOYSA-N,2,1,0.273,50,489,402.849,3.611,5,0.428,0.68,1.0,0.05891474196422452,0.08346754848879447,0.4272582413816736,0.472508738263313,0.26053731752450143
EOS-2-44234,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3)n12,MLQIVRCKSRMALA-UHFFFAOYSA-N,2,1,0.36,61,917,402.849,3.611,5,0.458,0.82,1.0,0.26286752107463507,0.4320385854293743,0.3983962716743198,0.5201665410184361,0.40336722979919126
EOS-2-44235,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,YDBPZXPGCCKOHE-UHFFFAOYSA-N,2,1,0.662,13,15,402.845,4.638,5,0.438,0.78,1.0,0.7892450825851552,0.8417431978616956,0.7423754369131657,0.7634415050373518,0.7842013055993421
EOS-2-44236,Cn1nc(-c2nnc3cncc(Oc4ccccc4)n23)cc1-c1ccc(Cl)cc1,PUYFLIZGDXGHQP-UHFFFAOYSA-N,2,1,0.506,19,616,402.845,4.638,5,0.438,0.88,1.0,0.3615670618874649,0.4539870468096772,0.6224556233294497,0.7161520800493455,0.5385404530189843
EOS-2-44237,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)cc1,PIAAIJXETLSFRH-UHFFFAOYSA-N,2,1,0.615,4,850,402.845,4.209,5,0.44,0.79,1.0,0.7123912000548284,0.8417517647865123,0.7520046604071002,0.7783222534439038,0.7711174696730861
EOS-2-44238,Clc1ccc(-c2nnc3cncc(OCc4cncn4-c4ccccc4)n23)cc1,YOFOZFPISZJGNI-UHFFFAOYSA-N,2,1,0.562,1,700,402.845,4.209,5,0.44,0.79,1.0,0.7065485573298609,0.8240524981152766,0.7162634500719621,0.7710575011993694,0.7544805016791173
EOS-2-44239,Clc1ccccc1-c1nnc2cncc(OCc3ccc(-n4cccc4)cn3)n12,DVGXOEPJVKVODX-UHFFFAOYSA-N,2,1,0.568,4,850,402.845,4.209,5,0.44,0.79,1.0,0.4836371736001645,0.6112843533685148,0.7111661298060448,0.7531440614077171,0.6398079295456103
EOS-2-44240,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)cn1,GVBOAIBUAAQTMY-UHFFFAOYSA-N,2,1,0.648,13,15,402.845,4.638,5,0.438,0.83,1.0,0.5061938866424508,0.7751953258858201,0.8279418819820438,0.8360633267082448,0.7363486053046399
EOS-2-44241,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5C)n34)cc2)n1,QOGHRZMCTXHGQQ-UHFFFAOYSA-N,2,1,0.361,96,558,402.845,4.779,5,0.432,0.79,1.0,0.26552326776780205,0.44513741347405933,0.6014580906037968,0.6392382290453019,0.4878392502227401
EOS-2-44242,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)cc1,ALIYMVLQGGZCKV-UHFFFAOYSA-N,2,1,0.662,43,326,402.845,4.414,5,0.47,0.79,1.0,0.9368017956274416,0.9006579398259201,0.8675639092591323,0.8808769104242341,0.896475138784182
EOS-2-44243,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)cc2)n1,IOVZAHVRDCZRTQ-UHFFFAOYSA-N,2,1,0.667,43,15,402.845,4.638,5,0.438,0.81,1.0,0.5161572202042355,0.6546501267904873,0.7748269481187033,0.7873260914262217,0.6832400966349119
EOS-2-44244,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cc2)n1,QHFQNJCQDZEWOT-UHFFFAOYSA-N,2,1,0.676,43,15,402.845,4.638,5,0.438,0.82,1.0,0.43134466451922415,0.6493643341786033,0.7633901034884518,0.7827342197244876,0.6567083304776917
EOS-2-44245,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)cc2)cn1,VJQWCNHXVBUEEF-UHFFFAOYSA-N,2,1,0.696,13,15,402.845,4.638,5,0.438,0.83,1.0,0.4711037625933795,0.6493729011034199,0.8259457884997601,0.832062572818861,0.6946212562538551
EOS-2-44246,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cn[nH]c5)cc4)n23)cc1,PTVMUZSQUPPRMR-UHFFFAOYSA-N,2,1,0.676,43,326,402.845,4.414,5,0.47,0.78,1.0,0.9601038311287781,0.9478873963402097,0.8689431841546159,0.8822904530189843,0.914806216160647
EOS-2-44247,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cc[nH]n5)c4)n23)cc1,GELXLVRFXZMMQL-UHFFFAOYSA-N,2,1,0.633,43,709,402.845,4.414,5,0.47,0.8,1.0,0.9565656911794942,0.9489582619422932,0.8205143581659927,0.8457867863751628,0.8929562744157357
EOS-2-44248,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cc4)n23)cc1,DDYXNFUCPJJKHN-UHFFFAOYSA-N,2,1,0.704,43,909,402.845,4.209,5,0.44,0.84,1.0,0.6912565965321088,0.8451528339387293,0.7944794736481393,0.8117932287026249,0.7856705332054006
EOS-2-44249,Clc1ccc(-c2nnc3cncc(OCc4ccccc4-n4cccn4)n23)cc1,XRSSWNHGNZTESG-UHFFFAOYSA-N,2,1,0.645,43,709,402.845,4.209,5,0.44,0.76,1.0,0.6912651634569255,0.8313001165101775,0.7268521691453635,0.7710660681241861,0.7551208793091632
EOS-2-44250,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)cc1,RDVRYBPGFQARCI-UHFFFAOYSA-N,2,1,0.667,13,15,402.845,4.638,5,0.438,0.8,1.0,0.5972859982180796,0.6933640600370091,0.7991741484476732,0.8163165650058255,0.7265351929271469
EOS-2-44251,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cc2)cn1,STAJHMZLQXWYRL-UHFFFAOYSA-N,2,1,0.704,13,15,402.845,4.638,5,0.438,0.84,1.0,0.42222088958947296,0.6546586937153039,0.8170447536152423,0.8280189843053938,0.6804858303063532
EOS-2-44252,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)cc1,RFOBKGIMCCQVAC-UHFFFAOYSA-N,2,1,0.676,43,230,402.845,4.209,5,0.44,0.84,1.0,0.9036306627373039,0.8639829346857651,0.8382307586868618,0.8439106298403125,0.8624387464875609
EOS-2-44253,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccco5)cc4)n23)cc1,LTUNYDHOJQEGPT-UHFFFAOYSA-N,2,1,0.714,1,951,402.841,5.284,5,0.4,0.9,1.0,0.9711465972174628,0.9571739428414776,0.9042731820985539,0.914947570420122,0.9368853231444041
EOS-2-44254,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cc2)cc1,SMLNYKKGCAOIAK-UHFFFAOYSA-N,2,1,0.46,3,550,402.82,4.708,5,0.437,0.86,1.0,0.35455931738743063,0.6591734630936879,0.8333390446165444,0.9047786306627373,0.6879626139401
EOS-2-44255,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cnc(-c4ccccc4)cn3)n12,UJEAMKWFFSXKPX-UHFFFAOYSA-N,2,1,0.432,96,837,402.82,4.708,5,0.437,0.76,1.0,0.3777157151668837,0.708193406894661,0.8382393256116785,0.904787197587554,0.7072339113151943
EOS-2-44256,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)cc1Cl,WXUHNPDKQPDEHG-UHFFFAOYSA-N,2,1,0.393,96,680,402.82,4.708,5,0.437,0.82,1.0,0.3683692001918991,0.5826965252552944,0.9140052086902886,0.9384466451922417,0.700879394832431
EOS-2-44257,Fc1cccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)c1,WISBRRUUIOARTE-UHFFFAOYSA-N,2,1,0.493,96,46,402.82,4.708,5,0.409,0.89,1.0,0.27327633472688645,0.512019395517785,0.8891439928723186,0.9234202590638064,0.6494649955451991
EOS-2-44258,Fc1ccccc1-c1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,XWSXQEPJQMAGOF-UHFFFAOYSA-N,2,1,0.484,45,46,402.82,4.708,5,0.437,0.87,1.0,0.4334606949489411,0.7710746350490028,0.8573264341032143,0.9149561373449386,0.7442044753615242
EOS-2-44259,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)cn4)n23)c(Cl)c1,ALQNGFBYWDSBDW-UHFFFAOYSA-N,2,1,0.398,96,680,402.82,4.708,5,0.437,0.83,1.0,0.3234442464532931,0.5629069289287917,0.8881073949695018,0.9285604139538072,0.6757547460763484
EOS-2-44260,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(-c3cccc(Cl)c3)n12,XYXOGOKCLOVQSA-UHFFFAOYSA-N,2,1,0.42,96,46,402.82,4.708,5,0.437,0.89,1.0,0.36837776711671577,0.592479953395929,0.8963573435679528,0.9350455760400247,0.6980651600301555
EOS-2-44261,Fc1cccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)c1Cl,YIABJVOZISFWKZ-UHFFFAOYSA-N,2,1,0.36,96,46,402.82,4.708,5,0.437,0.81,1.0,0.3136522513878418,0.48454526763073125,0.8938729353711192,0.9244311561921733,0.6541254026454664
EOS-2-44262,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,ULIZEJBRCRTULP-UHFFFAOYSA-N,2,1,0.492,96,680,402.82,4.708,5,0.409,0.89,1.0,0.3729953395928997,0.6886094167637585,0.89978411349462,0.9316273730381742,0.7232540607223631
EOS-2-44263,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)cn1,ANJKZKVDFUVSJM-UHFFFAOYSA-N,2,1,0.4,96,46,402.82,4.708,5,0.409,0.89,1.0,0.3031406346377904,0.5492598176958399,0.8938815022959359,0.9296312795558906,0.6689783085463642
EOS-2-44264,Fc1c(Cl)cccc1-c1nnc2cncc(-c3ccc(-c4ccncc4)cn3)n12,YJQZHDBZJVPIHM-UHFFFAOYSA-N,2,1,0.351,96,680,402.82,4.708,5,0.437,0.84,1.0,0.29258618326365565,0.48927421012953193,0.8986789801932699,0.9285689808786238,0.6522770886162703
EOS-2-44265,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,QFXMHGYZFAJTKY-UHFFFAOYSA-N,2,1,0.47,96,46,402.82,4.708,5,0.409,0.91,1.0,0.38688232472071826,0.6984099787540264,0.8997926804194366,0.9296398464807073,0.7286812075937221
EOS-2-44266,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4cccc(Cl)c4)n23)cn1,UKAFSFCKYMKIHZ-UHFFFAOYSA-N,2,1,0.472,96,46,402.82,4.708,5,0.409,0.82,1.0,0.29806901514632306,0.4759783428140635,0.8513638544308135,0.9059437324378041,0.6328387362072511
EOS-2-44267,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)cn2)cc1,YIKMCLCNSIMFFH-UHFFFAOYSA-N,2,1,0.4,96,46,402.82,4.708,5,0.409,0.84,1.0,0.31366081831265846,0.6064697416215475,0.8915255979713522,0.929648413405524,0.6853261428277705
EOS-2-44268,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)ccc1Cl,FSIUTOXULUDLAY-UHFFFAOYSA-N,2,1,0.389,96,46,402.82,4.708,5,0.437,0.88,1.0,0.41302001233637176,0.6835891988211912,0.9102357617709547,0.9341203481598246,0.7352413302720855
EOS-2-44269,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4cccc(Cl)c4)n23)cn1,JSEKGDVSXRPUIC-UHFFFAOYSA-N,2,1,0.463,96,46,402.82,4.708,5,0.437,0.83,1.0,0.34552977863066275,0.5395020903296552,0.8259543554245768,0.9059522993626208,0.654234630936879
EOS-2-44270,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)c(Cl)c1,SRIFWRAGVMKICS-UHFFFAOYSA-N,2,1,0.388,96,46,402.82,4.708,5,0.437,0.86,1.0,0.32093413748200944,0.582705092180111,0.890189157699952,0.9265643204715236,0.680098176958399
EOS-2-44271,Fc1ccc(-c2nnc3cncc(-c4cccc(-c5ccncn5)c4)n23)cc1Cl,VTRVBGRGLBIYPP-UHFFFAOYSA-N,2,1,0.379,96,558,402.82,4.708,5,0.437,0.81,1.0,0.452470701117127,0.6064783085463642,0.919719347543006,0.9426615722020424,0.7303324823521349
EOS-2-44272,Fc1c(Cl)cccc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,ISILTIGYARTNHM-UHFFFAOYSA-N,2,1,0.361,96,558,402.82,4.708,5,0.437,0.81,1.0,0.3753598108423,0.5584606949489411,0.9334949626482077,0.952110890274827,0.704856589678569
EOS-2-44273,Fc1cc(-c2ccc(-c3cncc4nnc(-c5cccc(Cl)c5)n34)cn2)ccn1,RKXVCNBIAPKJNB-UHFFFAOYSA-N,2,1,0.466,96,46,402.82,4.708,5,0.409,0.85,1.0,0.24381468028236583,0.45833904461654446,0.8915341648961689,0.92539065177164,0.6297696353916797
EOS-2-44274,Fc1cc(-c2cncc(Cl)c2)cc(-c2nnc3cncc(-c4ccccn4)n23)c1,GFJXJYKECFKWJD-UHFFFAOYSA-N,2,1,0.365,96,680,402.82,4.708,5,0.437,0.81,1.0,0.27869919813583716,0.39968987732163663,0.879566170927284,0.92443972311699,0.6205987423754369
EOS-2-44275,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)ccn1,SJUFJYHVINAECF-UHFFFAOYSA-N,2,1,0.443,96,46,402.82,4.708,5,0.409,0.87,1.0,0.3935388253032691,0.6786974847508739,0.902054348571037,0.9316359399629909,0.7264816496470428
EOS-2-44276,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccncc5)nc4)n23)ccc1Cl,UHOXLSMNSZJXEA-UHFFFAOYSA-N,2,1,0.388,96,46,402.82,4.708,5,0.437,0.87,1.0,0.3978308546364197,0.6640052086902886,0.9159413336988554,0.9376156534850251,0.7288482626276471
EOS-2-44277,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cnnc(-c4ccccc4)c3)n12,FOXJMGYUSWXMCN-UHFFFAOYSA-N,2,1,0.407,3,46,402.82,4.708,5,0.437,0.65,1.0,0.33609759440751147,0.6984185456788431,0.8769104242341169,0.9285775478034405,0.710001028030978
EOS-2-44278,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cnc1Cl,QIRGDOOSPXTDSL-UHFFFAOYSA-N,2,1,0.365,96,558,402.82,4.708,5,0.409,0.85,1.0,0.3430796381330957,0.5827136591049277,0.9112894935234048,0.9341289150846412,0.6928029264615174
EOS-2-44279,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)nn1,BFXCSXSHEJTHNM-UHFFFAOYSA-N,2,1,0.484,83,558,402.82,4.708,5,0.437,0.79,1.0,0.41991638681378934,0.7495545199095333,0.8833955863203344,0.9244482900418066,0.744328695771366
EOS-2-44280,Fc1cc(-c2nnc3cncc(-c4cccc(-c5cncnc5)c4)n23)ccc1Cl,LCKPUHYEMJEQEN-UHFFFAOYSA-N,2,1,0.375,96,558,402.82,4.708,5,0.437,0.78,1.0,0.4130285792611884,0.6787060516756905,0.9343259543554245,0.9546295661709273,0.7451725378658077
EOS-2-44281,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cccc(-c4cncnc4)c3)n12,QSTZUDYSARBGFX-UHFFFAOYSA-N,2,1,0.386,96,46,402.82,4.708,5,0.437,0.8,1.0,0.35694092248646425,0.6640137756151052,0.9206274415735728,0.9494551435816599,0.7227593208142006
EOS-2-44282,Clc1ccc(Oc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)cn1,NDGJVVWONWTDQP-UHFFFAOYSA-N,2,1,0.344,18,435,402.805,3.484,5,0.421,0.75,1.0,0.5242615310808032,0.5442310328284559,0.552763689945857,0.5758858200260435,0.5492855184702898
EOS-2-44283,Clc1cccc(Oc2cncc3nnc(-c4ccc(-c5cncnn5)cn4)n23)c1,LGNFWEFOZZYUPZ-UHFFFAOYSA-N,2,1,0.506,13,251,402.805,3.484,5,0.45,0.81,1.0,0.5112740730587348,0.5877681447467618,0.5013278733465835,0.5883678294839284,0.5471844801590021
EOS-2-44284,Clc1ccccc1Oc1cncc2nnc(-c3cnnc(-c4cncnc4)c3)n12,KWPBFAFGSUUVEC-UHFFFAOYSA-N,2,1,0.407,13,995,402.805,3.484,5,0.45,0.66,1.0,0.4763381536563635,0.5877767116715784,0.5494140223425399,0.6187461448838325,0.5580687581385786
EOS-2-44285,Clc1ccc(Oc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)cc1,BBSKDKCPCZIHON-UHFFFAOYSA-N,2,1,0.494,44,971,402.805,3.484,5,0.45,0.84,0.999,0.5369148790350216,0.5166798026180522,0.4491467342882599,0.5233191693509698,0.5065151463230759
EOS-2-44286,Clc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)cn1,JIECJSJCLYUWKU-UHFFFAOYSA-N,2,1,0.407,2,419,402.805,3.484,5,0.421,0.75,1.0,0.4986207251045165,0.5827222260297443,0.6195171681173326,0.6364968131039682,0.5843392330888905
EOS-2-44287,FC(F)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cn1,OUYOJGNUQDKKGH-UHFFFAOYSA-N,2,1,0.565,90,127,402.792,3.794,4,0.456,0.74,1.0,0.8293725584264272,0.940502707148242,0.7991827153724899,0.7756665067507368,0.8361811219244739
EOS-2-44288,Cc1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc1Cl,ROCNBWUAFCGQMK-UHFFFAOYSA-N,2,1,0.538,68,127,402.792,4.06,4,0.501,0.66,1.0,0.7459821122609828,0.8938900692207525,0.8845521211705846,0.8475001713384963,0.8429811184977041
EOS-2-44290,OCc1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4Cl)n23)cc1,YJQHODXCXZOQDA-UHFFFAOYSA-N,2,1,0.635,23,17,402.788,3.794,4,0.514,0.82,1.0,0.9864214241655815,0.9738880131587965,0.9806387499143308,0.9789853334247138,0.9799833801658556
EOS-2-44291,FC(F)Oc1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,WHQRAFHUAJNDMV-UHFFFAOYSA-N,2,1,0.775,48,17,402.788,4.625,4,0.47,0.87,1.0,0.9988691659241998,0.994637105064766,0.9792766088684806,0.9786597902816805,0.9878606675347817
EOS-2-44292,FC(F)Oc1ccccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,YPUBBGISSWXAIY-UHFFFAOYSA-N,2,1,0.716,48,17,402.788,4.625,4,0.47,0.84,1.0,0.997344253306833,0.9911932012884654,0.9751216503323967,0.9729884860530464,0.9841618977451854
EOS-2-44294,Fc1cc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)ccc1OC(F)(F)F,ULMIYEMQVKZKPZ-UHFFFAOYSA-N,2,1,0.75,48,240,497.246,5.213,4,0.343,0.8,1.0,0.9738708793091632,0.9895911863477486,0.9945514358165993,0.989531217874032,0.9868861798368858
EOS-2-44295,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5Br)n34)cn2)nc1,JFYIAYCFGCCNRZ-UHFFFAOYSA-N,2,1,0.455,73,930,497.263,3.658,5,0.339,0.67,1.0,0.8529915701459804,0.8451614008635461,0.6224641902542664,0.6032828455897471,0.730975001713385
EOS-2-44296,COc1cc(-c2nnc3cncc(Oc4ccc(Br)cc4F)n23)ccc1-c1nnnn1C,DVWWSRWZMVITDF-UHFFFAOYSA-N,2,1,0.529,13,941,497.288,3.684,5,0.362,0.8,1.0,0.4911675005140155,0.5774107326434104,0.4771177438146803,0.4441864848194092,0.49747061544787885
EOS-2-44297,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Br)c5)n34)cc2)n1,XPYPDEYVXGMSFY-UHFFFAOYSA-N,2,1,0.612,43,178,497.303,5.391,5,0.315,0.75,1.0,0.8243951751079432,0.8240610650400932,0.9261188403810569,0.8932389829346857,0.8669535158659448
EOS-2-44298,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)c(Br)c5)n34)cn2)nn1C,CTXPEOYODJMKKU-UHFFFAOYSA-N,2,1,0.318,50,542,497.307,4.657,5,0.359,0.72,1.0,0.22486464258789665,0.36134432184223153,0.6433589198821191,0.6096994722774313,0.45981683914741966
EOS-2-44299,Fc1cc(CCOc2cncc3nnc(-c4ccc(Oc5ccc(Cl)cc5)nc4)n23)cnc1Cl,HMMYMMHSZXAIGT-UHFFFAOYSA-N,2,1,0.517,88,919,497.317,5.441,5,0.277,0.76,1.0,0.9113408950723049,0.9419505174422589,0.8845606880954012,0.8946610924542526,0.9081282982660543
EOS-2-44300,COc1cc(-c2nnc3cncc(OCc4cc(-c5cccc(F)n5)ncc4Cl)n23)ccc1Cl,IJYXOHUTFQDNIC-UHFFFAOYSA-N,2,1,0.484,59,67,497.317,5.282,5,0.295,0.75,0.999,0.9627681447467618,0.9562487149612775,0.907417243506271,0.9000239873894866,0.9316145226509492
EOS-2-44301,COc1ncc(OCc2ncc(Cl)cc2F)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,GAPHHFXALWUVEK-UHFFFAOYSA-N,2,1,0.364,45,46,497.317,5.282,5,0.315,0.71,1.0,0.7667055033925022,0.8578318826673977,0.8633147145500651,0.867675279281749,0.8388818449729285
EOS-2-44302,CCOc1nc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)ccc1Cl,UKFDVZFWSZTIRG-UHFFFAOYSA-N,2,1,0.462,13,110,497.317,5.885,5,0.289,0.73,1.0,0.8059934206017408,0.8666386813789322,0.8496247686930299,0.8493848947981633,0.8429104413679666
EOS-2-44303,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncc(F)cc1Cl,WLXRIGBSLNLNNS-UHFFFAOYSA-N,2,1,0.522,88,141,497.317,5.021,5,0.352,0.53,1.0,0.934574395175108,0.9030995133986705,0.834923925707628,0.8676838462065657,0.885070420121993
EOS-2-44304,Fc1cc(Cl)cnc1Oc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,FAUPDNRQILFVHC-UHFFFAOYSA-N,2,1,0.548,11,595,497.317,5.441,5,0.277,0.77,1.0,0.9667431978616956,0.9672829141251457,0.8769189911589336,0.8766105818655335,0.9218889212528271
EOS-2-44305,Fc1ccc(COc2cncc3nnc(-c4ccc(OCc5ccc(Cl)cc5Cl)cn4)n23)nc1,NODXGGMCTNLNDN-UHFFFAOYSA-N,2,1,0.447,59,267,497.317,5.185,5,0.306,0.78,1.0,0.739865327941882,0.792423411692139,0.9064491810019876,0.9135854293742718,0.8380808375025701
EOS-2-44306,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1ccc(Cl)nc1,XPMAPZHMHCSIJE-UHFFFAOYSA-N,2,1,0.467,97,83,497.317,5.282,5,0.295,0.69,1.0,0.8596138030292646,0.8696199712151326,0.9031423480227537,0.8932475498595024,0.8814059180316633
EOS-2-44307,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cc(Cl)ccc1F,FNVUTDQVCKIFGY-UHFFFAOYSA-N,2,1,0.471,34,210,497.317,5.282,5,0.315,0.7,1.0,0.9581848399698444,0.9231803851689397,0.8795747378521006,0.882299019943801,0.9108097457336715
EOS-2-44308,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1Oc1cncc(Cl)c1,CHHFDAOVMMVLMU-UHFFFAOYSA-N,2,1,0.544,35,595,497.317,5.441,5,0.277,0.69,1.0,0.9692704406826126,0.9732711945719964,0.912189020629155,0.9202247961071893,0.9437388629977383
EOS-2-44309,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)nc2F)n1,GCXBGSKIYLRUQE-UHFFFAOYSA-N,2,1,0.573,44,308,497.321,4.414,5,0.318,0.67,1.0,0.9534301966965938,0.8752484408196833,0.610530463984648,0.6590963607703378,0.7745763655678157
EOS-2-44310,Cc1nc(-c2cc(F)cc(Cl)c2)cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)n1,PLFKODSGYGDISG-UHFFFAOYSA-N,2,1,0.432,18,531,497.321,4.414,5,0.34,0.63,0.999,0.6702676307312727,0.6689654581591392,0.5047118086491673,0.6216674662463162,0.6164030909464739
EOS-2-44311,Cc1nc(-c2cc(F)c(Cl)cn2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)n1,WGJWYGWVSDCRDA-UHFFFAOYSA-N,2,1,0.379,44,531,497.321,4.414,5,0.318,0.58,0.933,0.7519875265574669,0.6640223425399219,0.5085926255911178,0.6004557604002467,0.6312645637721883
EOS-2-44312,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)n1,UNFPEIGIQQFWOY-UHFFFAOYSA-N,2,1,0.441,44,531,497.321,4.414,5,0.318,0.67,1.0,0.8112877801384415,0.8123243780412583,0.42374580220683983,0.5568672469330409,0.6510563018298952
EOS-2-44313,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cc(Cl)ccc5F)cc4)n23)cc1Cl,QDJPXRACWDIQSP-UHFFFAOYSA-N,2,1,0.778,57,485,497.332,6.665,5,0.263,0.77,1.0,0.9934977040641492,0.9977640326228497,0.9887516277157151,0.994996915907066,0.993752570077445
EOS-2-44314,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)cc1Br,PFPACDJTVWXCLJ-UHFFFAOYSA-N,2,1,0.494,53,226,497.338,2.934,5,0.377,0.68,0.999,0.4614402714001782,0.5674988006305257,0.29432526900143924,0.295053457610856,0.40457944966074977
EOS-2-44315,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)ccc1-c1nc(C)no1,OJRKVTQYTFWNTP-UHFFFAOYSA-N,2,1,0.557,91,313,497.342,5.087,5,0.307,0.68,1.0,0.7667140703173189,0.6738229045301899,0.6742169830717566,0.6449952025221026,0.689937290110342
EOS-2-44316,COc1cc(-c2nnc3cncc(OCc4cc(-c5nnc(C)n5C)cnc4Cl)n23)ccc1Cl,YVYMLIMVLVWGAP-UHFFFAOYSA-N,2,1,0.484,36,67,497.346,4.185,5,0.322,0.68,1.0,0.5369234459598382,0.6444297854842026,0.43467719827290796,0.4441950517442259,0.5150563703652937
EOS-2-44317,Clc1cccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)ccc2Cl)c1,DHWJHSBZRVQBME-UHFFFAOYSA-N,2,1,0.361,3,192,497.349,5.679,6,0.309,0.71,1.0,0.2842848331163046,0.5032125968062504,0.8603419916386814,0.916986498526489,0.6412064800219314
EOS-2-44318,Clc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c2)nc1Cl,MQWJGUZTFRIWBY-UHFFFAOYSA-N,2,1,0.321,32,191,497.349,5.679,6,0.289,0.63,1.0,0.26553183469261876,0.3996984442464533,0.77483551504352,0.8360718936330614,0.5690344219039134
EOS-2-44319,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(Cl)cn6)cc5)n34)nc2)cn1,FHNLFIAXGAPEKE-UHFFFAOYSA-N,2,1,0.299,69,174,497.349,5.679,6,0.289,0.76,1.0,0.19719347543005963,0.32279316016722637,0.8133866767185252,0.8644455486258653,0.5494547152354191
EOS-2-44320,CCn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)cc2F)n1,KUDMUUSDBRDWTE-UHFFFAOYSA-N,2,1,0.57,88,629,497.361,5.742,5,0.287,0.71,1.0,0.7693184154615859,0.8451699677883627,0.870356726749366,0.8918854088136523,0.8441826297032418
EOS-2-44321,CSc1ncc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)cn1,XDRYJZDJPQIOKG-UHFFFAOYSA-N,2,1,0.477,2,980,497.371,4.646,5,0.245,0.68,1.0,0.6764015489000068,0.6493814680282366,0.5592745528065246,0.5975258721129464,0.6206458604619286
EOS-2-44322,CSc1nc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,BEIVZSCCGSHJQK-UHFFFAOYSA-N,2,1,0.4,46,62,497.371,4.646,5,0.188,0.64,1.0,0.5472123226646562,0.5166883695428689,0.45965835103831126,0.5338821876499212,0.5143603077239394
EOS-2-44323,Cn1nc(-c2nnnn2C(F)F)cc1-c1cncc2nnc(-c3cc(F)c(-c4cnco4)cc3F)n12,DCEUIBQDGNGPTM-UHFFFAOYSA-N,2,1,0.287,22,844,497.376,3.174,6,0.33,0.6,0.708,0.22193475430059625,0.39005208690288534,0.459666917963128,0.5067507367555343,0.39460112398053593
EOS-2-44324,Clc1ccc(COc2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cc1,UYBMVFDHFYOWNA-UHFFFAOYSA-N,2,1,0.558,79,397,497.407,6.36,5,0.25,0.84,1.0,0.9289801932698238,0.9056353231444041,0.8927763689945857,0.9092762661914879,0.9091670379000754
EOS-2-44325,Oc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(OC(F)(F)F)nc5)c4)n23)cc1,FVQPKIJAUQRXTQ-UHFFFAOYSA-N,2,1,0.547,1,138,497.408,5.176,5,0.323,0.66,1.0,0.9760554451374135,0.9679939688849291,0.9904907134534987,0.9754557604002467,0.9774989719690219
EOS-2-44326,COc1nc(-c2nnc3cncc(OCCc4ncc(F)cc4F)n23)ccc1-c1ncc(F)cc1F,BKTPFVAZEOMICG-UHFFFAOYSA-N,2,1,0.392,49,501,497.412,3.83,5,0.313,0.59,0.998,0.7667226372421355,0.6591820300185045,0.6742255499965732,0.6450037694469193,0.6862834966760332
EOS-2-44327,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)c(F)c5F)n34)cn2)cn1,CEOZCCKTCIAADL-UHFFFAOYSA-N,2,1,0.527,84,360,497.412,3.83,5,0.19,0.61,1.0,0.8459495579466795,0.8780755260091837,0.8757795901583167,0.7873346583510383,0.8467848331163046
EOS-2-44328,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)cn2)cc1,AXHNDQCOVONWPI-UHFFFAOYSA-N,2,1,0.63,57,732,497.427,5.772,5,0.279,0.77,1.0,0.9861644164210814,0.9843053937358646,0.9942772942224659,0.990122335686382,0.9887173600164485
EOS-2-44329,Fc1nccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)c1F,DZLQHUSVKJABKY-UHFFFAOYSA-N,2,1,0.633,91,138,497.427,5.772,5,0.22,0.75,1.0,0.9834658351038311,0.9871153450757316,0.9964618600507162,0.9929408539510657,0.9899959735453362
EOS-2-44330,Fc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6ccc(F)nn6)cc5)n34)c(F)c2)cc1,FADPCMPKZBEPRT-UHFFFAOYSA-N,2,1,0.429,83,492,497.44,5.52,6,0.31,0.72,1.0,0.8808683434994174,0.9031080803234871,0.9093105338907546,0.9023798917140703,0.8989167123569324
EOS-2-44331,COCCn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(C(F)(F)F)cn5)n34)cn2)c1,PWKCHWMXFXJYEG-UHFFFAOYSA-N,2,1,0.387,51,823,497.441,3.084,5,0.319,0.71,0.969,0.42698409978754026,0.42289767664998973,0.6903313686519087,0.4966931670207662,0.5092265780275512
EOS-2-44332,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cc(F)c(F)c(F)c5)n34)nc2)nn1,FEYUPSCCZLZFKB-UHFFFAOYSA-N,2,1,0.294,32,572,497.444,4.493,6,0.328,0.69,0.977,0.34080083613186213,0.4229062435748064,0.7495545199095333,0.7505825508875335,0.5659610376259339
EOS-2-44333,COc1cc(-c2nnc3cncc(OCc4cncc(-c5ccnc(F)c5)n4)n23)ccc1-c1nnco1,SUPUZLOJUZTKGF-UHFFFAOYSA-N,2,1,0.402,40,350,497.45,3.42,6,0.3,0.61,1.0,0.6670036323761223,0.5350387225001714,0.4346857651977246,0.32305873483654307,0.48994671372764037
EOS-2-44334,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cn5)n34)cc2F)cn1,KJGSYEKHPBCBHX-UHFFFAOYSA-N,2,1,0.522,40,868,497.45,3.42,6,0.32,0.6,1.0,0.6730947159207731,0.535047289424988,0.4272668083064903,0.3140634637790419,0.48736806935782334
EOS-2-44335,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5ccc(F)cc5F)n34)cc2)o1,WDUOSNVSMQYKDU-UHFFFAOYSA-N,2,1,0.522,77,937,497.465,5.069,6,0.314,0.72,1.0,0.8060019875265575,0.7359673771502981,0.729396545815914,0.6942121855938592,0.7413945240216572
EOS-2-44336,Fc1ccc(F)c(-n2cnnc2COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,DNKZAFIMOBHFAX-UHFFFAOYSA-N,2,1,0.474,17,960,497.465,5.022,6,0.306,0.6,1.0,0.6030943732437805,0.5629154958536083,0.7727280515386197,0.7897847988486053,0.6821306798711535
EOS-2-44337,FCc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)nc5)n34)cn2)ccc1F,KTDSCZOYVVAWGS-UHFFFAOYSA-N,2,1,0.455,6,247,497.469,4.017,6,0.325,0.64,1.0,0.39995545199095334,0.3661675005140155,0.6795970118566239,0.6245202522102666,0.5175600541429648
EOS-2-44338,Cn1nc(-c2ccc(F)cc2)nc1COc1cncc2nnc(-c3ccc(-c4cncnc4)c(F)c3)n12,SXFJXHLZGZHXSM-UHFFFAOYSA-N,2,1,0.512,40,868,497.469,3.901,6,0.341,0.62,1.0,0.6670121993009389,0.6984271126036597,0.5086011925159345,0.5533719416078404,0.6068531115070934
EOS-2-44339,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(F)ccn5)n4)n23)cc1F,HTRPCHYMWHSFLU-UHFFFAOYSA-N,2,1,0.458,80,355,497.469,3.901,6,0.341,0.62,1.0,0.5885477349050785,0.5078216023576178,0.6492443972311699,0.6187547118086492,0.5910921115756288
EOS-2-44340,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cncnc4-c4ccc(F)cc4F)n23)ccn1,VAABBCHRVMBRNJ-UHFFFAOYSA-N,2,1,0.479,24,247,497.469,3.901,6,0.341,0.69,1.0,0.6941864848194093,0.5032211637310671,0.6685114111438558,0.6333356178466177,0.6248136693852374
EOS-2-44341,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cc4)n23)c(F)c1F,NXSGNMNGYSVFEX-UHFFFAOYSA-N,2,1,0.489,67,755,497.469,3.901,6,0.341,0.7,1.0,0.7459906791857994,0.639469536015352,0.6685199780686725,0.6365053800287849,0.6726213933246522
EOS-2-44342,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(F)c5)cn4)n23)cc1F,BGGVAXSZYKCRHM-UHFFFAOYSA-N,2,1,0.457,80,355,497.469,3.901,6,0.341,0.6,1.0,0.5659481872387088,0.49402028647796586,0.6713984648070729,0.6245288191350833,0.5889739394147078
EOS-2-44343,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)c(F)c5F)n34)nc2)cn1,XNJFWOHEELUHRQ-UHFFFAOYSA-N,2,1,0.494,40,868,497.469,3.901,6,0.341,0.67,1.0,0.46866218902062917,0.4987920636008498,0.7881742169830718,0.7079878006990611,0.615904067575903
EOS-2-44344,COc1ccc(-c2nnn(C)n2)cc1-c1cncc2nnc(-c3ccc(-c4ncccc4F)cc3F)n12,SFHHOICHKLFKNY-UHFFFAOYSA-N,2,1,0.352,3,192,497.469,3.998,6,0.352,0.65,1.0,0.2814834487012542,0.40447022136933725,0.5947673223219793,0.5696833664587759,0.4626010897128367
EOS-2-44345,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cn5)n34)ccc2F)cn1,CXVLKWIHYKMOCA-UHFFFAOYSA-N,2,1,0.394,6,414,497.469,3.901,6,0.319,0.64,1.0,0.4222294565142896,0.427403879103557,0.6252998423685834,0.5758943869508601,0.5127068912343226
EOS-2-44346,Cc1ncc(-c2ncc(Oc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)n1C(F)F,WILFREZKXVYECX-UHFFFAOYSA-N,2,1,0.438,41,355,497.469,5.003,6,0.316,0.64,0.996,0.7430179562744157,0.635006168185868,0.6742341169213899,0.5946045507504626,0.6617156980330341
EOS-2-44347,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnccn5)n4)n23)cc1-c1ccc(F)cc1,BUMZMLULPXYYIQ-UHFFFAOYSA-N,2,1,0.423,6,965,497.469,3.901,6,0.341,0.62,0.999,0.3868908916455349,0.3709221437872661,0.5086097594407512,0.516893975738469,0.4458291926530053
EOS-2-44348,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(F)c5)cn4)n23)c(F)c1,XBVMTCAMXWULTC-UHFFFAOYSA-N,2,1,0.424,80,518,497.469,3.901,6,0.341,0.68,1.0,0.7187649921184291,0.6738314714550065,0.6046364197107806,0.5728873963402097,0.6425300699061065
EOS-2-44349,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)nc5)n34)cc2)cn1,NEKJUOXZFJTHCU-UHFFFAOYSA-N,2,1,0.506,40,2,497.469,4.481,6,0.318,0.61,1.0,0.5687667055033925,0.47598690973888014,0.7748440819683367,0.662266122952505,0.6204659550407786
EOS-2-44350,COCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cc5F)n34)nc2)nn1,BYYYCWQTGZJFNK-UHFFFAOYSA-N,2,1,0.279,32,572,497.469,4.056,6,0.339,0.6,1.0,0.22766602700294702,0.34191453635802893,0.6105390309094647,0.6245373860599,0.4511642450825852
EOS-2-44351,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nc4)n23)n1,AWJKRTCXEYWOLZ-UHFFFAOYSA-N,2,1,0.436,6,247,497.469,3.901,6,0.341,0.64,1.0,0.560114111438558,0.5166969364676856,0.6281269275580837,0.597534439037763,0.5756181036255226
EOS-2-44352,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)cn2)cn1,CAIZTEYEYRRAPE-UHFFFAOYSA-N,2,1,0.489,28,297,497.469,4.481,6,0.318,0.67,1.0,0.40202008087177027,0.44958364745390994,0.6404375985196354,0.536854910561305,0.5072240593516552
EOS-2-44353,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cn(-c6ccccc6F)nn5)n34)c2)nn1,ZGQUCPMLXTYVOD-UHFFFAOYSA-N,2,1,0.442,77,613,497.469,3.729,6,0.328,0.57,1.0,0.45247926804194366,0.43204715235419094,0.45636865190871084,0.5169025426632856,0.46444940374203275
EOS-2-44354,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cnn(-c6ccc(F)c(F)c6)c5)n34)c2)cn1,OTDCJUAREDRRHC-UHFFFAOYSA-N,2,1,0.39,6,181,497.469,3.995,6,0.34,0.64,1.0,0.33354465081214446,0.24599924611061613,0.6632684531560551,0.6066153793434309,0.46235693235556163
EOS-2-44355,COc1nc(-n2cc(-c3cncc4nnc(-c5cnc(C)nc5-c5ccc(F)cc5)n34)cn2)ccc1F,SGGQLOQYVNNSHU-UHFFFAOYSA-N,2,1,0.313,10,673,497.469,4.091,6,0.35,0.68,0.913,0.10418237269549722,0.3419231032828456,0.47712631073949696,0.44420361866904257,0.34185885134672056
EOS-2-44356,Cn1nnnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cn4)n23)c1,CZNQJONAWDTJQI-UHFFFAOYSA-N,2,1,0.473,77,177,497.469,3.901,6,0.341,0.77,0.996,0.5885563018298952,0.5877852785963951,0.6309026111986841,0.6708758823932561,0.6195300185045576
EOS-2-44357,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(-c6nnco6)n5C)n34)nn2)cn1,SCBXVDMEWFVLIX-UHFFFAOYSA-N,2,1,0.352,53,826,497.479,2.057,6,0.302,0.58,0.3,0.2708261942293194,0.09917072167774656,0.02580357754780344,0.014263929819751902,0.10251610581865532
EOS-2-44358,FC(F)(F)Cn1cc(-c2cccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)c2)cn1,KAFLJDCONFUYJM-UHFFFAOYSA-N,2,1,0.293,69,152,497.484,5.946,6,0.295,0.74,1.0,0.16647248303748885,0.21523541909396204,0.9497978205743266,0.9253992186964567,0.5642262353505585
EOS-2-44359,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)cc1C(F)(F)F,QDTHENGZZFITPL-UHFFFAOYSA-N,2,1,0.342,93,651,497.484,5.94,6,0.301,0.78,1.0,0.17171544102528957,0.35178363374683025,0.9588958947296279,0.9265728873963403,0.6022419642245219
EOS-2-44360,CCn1cnnc1-c1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)o1,NIDGLLXIPIHVEH-UHFFFAOYSA-N,2,1,0.495,75,583,497.494,3.88,6,0.308,0.66,1.0,0.5548882873003906,0.390060653827702,0.27620622301418685,0.2565536974847509,0.3694272154067576
EOS-2-44361,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6nnc(CF)o6)nc5)n34)cc2)n1,PNXDCIGERYBYFU-UHFFFAOYSA-N,2,1,0.522,81,889,497.494,3.728,6,0.309,0.62,1.0,0.5011479679254335,0.4539956137344939,0.19731341237749297,0.16229182372695497,0.32868720444109384
EOS-2-44362,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5noc(C)n5)n4)n23)ccc1F,RXDASSXDEWKXSQ-UHFFFAOYSA-N,2,1,0.441,26,911,497.494,4.146,6,0.32,0.66,1.0,0.445171681173326,0.4759954766636968,0.26856452607771913,0.2237852100609965,0.35337922349393464
EOS-2-44363,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cc7ccncc7nn6)n5)n34)cn2)cc1,QDXCPGNSQXNRNN-UHFFFAOYSA-N,2,1,0.303,32,20,497.497,5.06,7,0.332,0.64,0.824,0.2897248303748886,0.48455383455554796,0.6339524364334178,0.6968336645877595,0.5262661914879034
EOS-2-44364,CCc1nc(-c2nnc3cncc(OCc4nnnn4-c4ccc(F)cc4)n23)ccc1-c1cncn1C,WTTXUFZDQVLGIA-UHFFFAOYSA-N,2,1,0.376,31,807,497.498,2.843,6,0.327,0.62,0.238,0.1972020423548763,0.32740216571859365,0.0884877664313618,0.10571585223768076,0.17970195668562813
EOS-2-44365,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ncccc6F)nn5C)n34)cc2)n(C)n1,SKEBQNFJROKJCF-UHFFFAOYSA-N,2,1,0.461,56,415,497.498,2.804,6,0.341,0.62,1.0,0.5087211294633678,0.5395106572544719,0.02913611130148722,0.030798094715920772,0.2770414981838119
EOS-2-44366,Cn1nc(-c2ccc(F)cc2)nc1CCOc1cncc2nnc(-c3ccc(-c4nnnn4C)cc3)n12,ZKUZQIXAZQBMMR-UHFFFAOYSA-N,2,1,0.571,67,447,497.498,2.538,6,0.327,0.61,1.0,0.6912737303817422,0.7082019738194778,0.05068192721540676,0.08068329792337743,0.382710232335001
EOS-2-44367,CC(C)n1nnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)n(C)n1,DTFZGDKCLBTVSG-UHFFFAOYSA-N,2,1,0.353,67,622,497.498,3.753,6,0.338,0.61,0.865,0.3913114248509355,0.46718011102734563,0.13353265711740114,0.13041429648413405,0.2806096223699541
EOS-2-44368,Fc1cc(-c2nnc(COc3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)s2)ccn1,GSLONDGJWULQCO-UHFFFAOYSA-N,2,1,0.495,17,960,497.515,5.215,6,0.277,0.68,1.0,0.62538551161675,0.6207936399150161,0.4808015214858474,0.49670173394558287,0.5559206017407992
EOS-2-44369,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)c1,YRNHHYNPFGGQPC-UHFFFAOYSA-N,2,1,0.564,15,438,402.483,3.875,5,0.431,0.78,1.0,0.5857035158659447,0.39006922075251865,0.4237543691316565,0.36831779864299913,0.44196122609827976
EOS-2-44370,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2)cn1,DQUXGDSTBSDLQR-UHFFFAOYSA-N,2,1,0.589,15,519,402.483,3.875,5,0.431,0.78,1.0,0.6282382975807004,0.4671886779521623,0.49424302652319924,0.42520217942567334,0.5037180453704339
EOS-2-44371,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cn1,OTNLIPUOTZMLQY-UHFFFAOYSA-N,2,1,0.579,15,545,402.483,3.875,5,0.431,0.75,1.0,0.4569426358714276,0.3274107326434103,0.4771348776643136,0.41568432595435545,0.4192931430333767
EOS-2-44372,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4ccsc4)n23)c1,MQCKHRRIKMIBST-UHFFFAOYSA-N,2,1,0.587,15,921,402.483,3.875,5,0.431,0.62,1.0,0.5214515797409361,0.33685148379137825,0.3535141525597971,0.3077239394147077,0.3798852888767048
EOS-2-44373,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccs4)n23)cc1,OQLHYFZLUKLEDD-UHFFFAOYSA-N,2,1,0.675,15,320,402.483,3.875,5,0.431,0.78,1.0,0.87492289767665,0.5971060927969296,0.4122061544787883,0.36194400657939824,0.5615447878829415
EOS-2-44374,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncccc6F)cn5)n34)cc2)s1,YKXFCBIFYKLSLO-UHFFFAOYSA-N,2,1,0.484,40,117,497.519,4.188,6,0.334,0.66,1.0,0.5885648687547118,0.5971146597217463,0.24686450551709957,0.23881159618943185,0.4178389075457474
EOS-2-44375,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)nc2-c2ccccn2)s1,YHZPPLDNWWKPSA-UHFFFAOYSA-N,2,1,0.41,6,297,497.519,4.188,6,0.334,0.72,0.991,0.5796552669453773,0.4892827770543486,0.19732197930230963,0.21820814200534577,0.3711170413268453
EOS-2-44376,COc1cc(-c2nnsn2)ccc1-c1cncc2nnc(-c3ccc(-c4cncc(C)n4)c(F)c3)n12,OSUYCABIRAGQHM-UHFFFAOYSA-N,2,1,0.324,42,725,497.519,4.285,6,0.344,0.59,1.0,0.3260057569734768,0.36617606743883213,0.46689740250839556,0.4156928928791721,0.39369302994996913
EOS-2-44377,FCc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cn2)s1,QJHSXMZJYVQIND-UHFFFAOYSA-N,2,1,0.459,6,218,497.519,4.21,6,0.32,0.59,0.998,0.43592796929614147,0.48051024604208076,0.20438112535124392,0.1895603454184086,0.3275949215269687
EOS-2-44378,Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nccs6)c(F)c5)n34)n2)nn1,CKLBDXXJFYGHSJ-UHFFFAOYSA-N,2,1,0.538,81,218,497.519,4.188,6,0.334,0.64,1.0,0.582627989856761,0.6444383524090193,0.2505311493386334,0.2445171681173326,0.4305286649304366
EOS-2-44379,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6noc(-c7ccccc7)n6)n5)n34)cc2)n[nH]1,VKNUZNZLXSXLHZ-UHFFFAOYSA-N,2,1,0.305,93,93,497.522,5.269,7,0.341,0.54,1.0,0.19439209101500926,0.20094578849976014,0.3383164279350284,0.34868240696319647,0.27058417860324857
EOS-2-44380,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnc7ccccn67)n5)n34)cn2)cc1,QLSIAYQNRHMNAG-UHFFFAOYSA-N,2,1,0.42,12,363,497.522,4.537,7,0.33,0.66,1.0,0.40634637790418754,0.37589952710575014,0.32003461037625935,0.3683263655678158,0.36765172023850323
EOS-2-44381,c1ccc2nnc(-c3ccc(-c4nnc5cncc(OCc6ccc(-n7ccnc7)nc6)n45)cc3)cc2c1,XLQLEHRRRAWOGM-UHFFFAOYSA-N,2,1,0.446,77,323,497.522,4.561,7,0.329,0.53,1.0,0.39131999177575216,0.28189466109245426,0.5592831197313413,0.5169111095881023,0.4373522205469125
EOS-2-44382,c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc7ccccn7n6)cc5)n34)nn2)cc1,RFEXHMJZVUISPU-UHFFFAOYSA-N,2,1,0.463,12,897,497.522,4.537,7,0.33,0.7,1.0,0.5087296963881845,0.4495922143787266,0.3535227194846138,0.37153039544924954,0.4208437564251936
EOS-2-44383,c1ccc(-c2cncc3nnc(COc4cncc5nnc(-c6ccc(-c7ccccn7)cc6)n45)n23)cc1,OITMJDLTTQXECH-UHFFFAOYSA-N,2,1,0.446,12,285,497.522,4.537,7,0.33,0.69,1.0,0.40849667603317114,0.3759080940305668,0.34571825097662945,0.4442121855938592,0.39358380165855666
EOS-2-44384,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnnc5)n34)ncn2)nc1N1CCOCC1,GZBKRXGNCGYQPH-UHFFFAOYSA-N,2,1,0.368,31,296,497.523,1.595,6,0.322,0.62,0.997,0.09664347885682956,0.0001970392707833596,0.00152491261736687,0.001790487286683572,0.02503897950791584
EOS-2-44385,Cc1cncc(-c2cc3c(cnn3Cc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)n1,RSZZKXDUIVTJQD-UHFFFAOYSA-N,2,1,0.297,30,945,497.526,3.807,7,0.349,0.59,1.0,0.09895654855732985,0.10257179082996368,0.13679665547255157,0.20052600918374341,0.13471275101089714
EOS-2-44386,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cc5)n34)cc2)cc1F,WETJUZCYXADHOF-UHFFFAOYSA-N,2,1,0.608,12,492,497.53,6.439,6,0.265,0.75,1.0,0.9435868000822425,0.9077085189500377,0.9543125899527106,0.9480501679117264,0.9384145192241793
EOS-2-44387,Fc1ccc(COc2cncc3nnc(-c4ccc(CN5CCOCC5)cc4)n23)nc1-c1cccnc1,BXTLZWDUYXILLZ-UHFFFAOYSA-N,2,1,0.49,89,230,497.534,3.799,6,0.335,0.73,1.0,0.4887173600164485,0.2152439860187787,0.1428020697690357,0.25656226440956753,0.2758314200534576
EOS-2-44388,CCOc1nsc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)n1,OWHRNOUPLMCIPP-UHFFFAOYSA-N,2,1,0.464,40,932,497.544,3.868,6,0.309,0.68,1.0,0.2027876773353437,0.16234322527585499,0.14281063669385238,0.08949009663491193,0.14935790898499074
EOS-2-44389,COc1cc(-c2nnc3cncc(OCc4csc(-c5cnccn5)n4)n23)ccc1-c1ccnn1C,ROWJXXOPYSVHFL-UHFFFAOYSA-N,2,1,0.459,6,355,497.544,3.693,6,0.325,0.71,1.0,0.24382324720718251,0.2202727708861627,0.20438969227606057,0.11960283736549929,0.19702213693372625
EOS-2-44390,COc1cc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)ccc1-c1cscn1,QLBBWXXSJPOBRQ-UHFFFAOYSA-N,2,1,0.436,6,350,497.544,3.693,6,0.325,0.61,1.0,0.2572133506956343,0.2255928311973134,0.30160715509560687,0.1866304571311082,0.2427609485299157
EOS-2-44391,Cn1nc(-c2nc(CO)cs2)nc1COc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,KBJUYJKYKYGAON-UHFFFAOYSA-N,2,1,0.414,28,363,497.544,3.177,6,0.353,0.61,0.991,0.35223768076211365,0.34193167020766224,0.032597148927421014,0.04210643547392228,0.1922182338427798
EOS-2-44392,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccs5)cc4)n23)cc1,BQEQQFYBMPOWKK-UHFFFAOYSA-N,2,1,0.714,1,951,402.454,5.238,5,0.404,0.85,1.0,0.9772205469124803,0.9468165307381262,0.8915427318209855,0.8932561167843192,0.9272089815639778
EOS-2-44393,OCc1ccc(-c2nnc3cncc(-c4cscc4-c4ccc(F)cc4)n23)cc1,JWEPRRFKBLTGNL-UHFFFAOYSA-N,2,1,0.403,96,3,402.454,4.818,5,0.468,0.84,1.0,0.3823161537934343,0.5167055033925022,0.9235744637105064,0.9307706805565075,0.6883417003632376
EOS-2-44394,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)cc1,CALSYPQAMMBYRT-UHFFFAOYSA-N,2,1,0.735,1,326,402.454,5.238,5,0.404,0.87,1.0,0.9729285175793297,0.9194709067233225,0.9102443286957713,0.9104328010417381,0.9282691385100403
EOS-2-44395,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnn(C)c6C)cn5)n34)cc2)s1,VJZKSDLGZSZBFN-UHFFFAOYSA-N,2,1,0.432,71,614,497.548,3.091,6,0.338,0.71,1.0,0.22194332122541294,0.18286957713659105,0.02279658693715304,0.014829346857651977,0.11060970803920224
EOS-2-44396,c1ncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ncn2)cn1,XKWZLMWDSDNPAS-UHFFFAOYSA-N,2,1,0.435,65,194,402.443,2.721,5,0.427,0.62,0.998,0.4686707559454458,0.307663970940991,0.1838890411897745,0.17014769378383934,0.28259286546501267
EOS-2-44397,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccns5)n34)c2)cn1,OUHNNSKCJSQIKZ-UHFFFAOYSA-N,2,1,0.425,18,113,402.443,2.987,5,0.442,0.65,1.0,0.3913285587005688,0.2409790281680488,0.1677146871359057,0.1283839353025838,0.23210155232677676
EOS-2-44398,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)n1,RREORKKKPUDQDK-UHFFFAOYSA-N,2,1,0.46,7,464,402.443,2.987,5,0.442,0.69,1.0,0.3260143238982935,0.39007778767733536,0.12773284901651702,0.1014752244534302,0.23632504626139403
EOS-2-44399,c1ncc(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)cn1,CMDHAGMJNSBJFU-UHFFFAOYSA-N,2,1,0.539,65,419,402.443,2.721,5,0.427,0.62,1.0,0.5011565348502501,0.38516037283256804,0.21815674045644576,0.20362723596737714,0.32702522102666026
EOS-2-44400,c1cncc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)nn2)c1,PZKOJJJNZRHZFK-UHFFFAOYSA-N,2,1,0.561,54,411,402.443,2.721,5,0.427,0.78,0.998,0.44300424919470904,0.3709307107120828,0.059994174491124666,0.07319580563360976,0.23678123500788154
EOS-2-44401,c1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)nn2)c1,CDZRGAJDRDMOEI-UHFFFAOYSA-N,2,1,0.457,54,411,402.443,2.721,5,0.427,0.71,1.0,0.47888253032691386,0.37093927763689943,0.09299396888492907,0.10788328421629771,0.26267476526626005
EOS-2-44402,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)s4)n23)cn1,NVLCGLVFOMRING-UHFFFAOYSA-N,2,1,0.483,4,205,402.443,2.987,5,0.442,0.75,1.0,0.37536837776711673,0.4406826125693921,0.10559591529024741,0.09147762319237886,0.25328113220478377
EOS-2-44403,Cc1ncc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)cn1,FRDWUDRZJHTICG-UHFFFAOYSA-N,2,1,0.452,92,36,402.443,2.987,5,0.442,0.68,0.991,0.3707079706668494,0.3179785484202591,0.139983551504352,0.11268932903844836,0.2353398499074772
EOS-2-44404,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)c1,NTCLRAUWZTWJRS-UHFFFAOYSA-N,2,1,0.42,46,395,402.443,2.987,5,0.442,0.59,0.998,0.36157562881228156,0.18728154341717498,0.13680522239736825,0.11961140429031594,0.20131844972928517
EOS-2-44405,c1ccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)nc1,BCYNJXPRRRMIDS-UHFFFAOYSA-N,2,1,0.583,87,579,402.443,2.721,5,0.427,0.73,1.0,0.44058837639640874,0.4406911794942088,0.10824309505859776,0.11508806798711535,0.27615267973408264
EOS-2-44406,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5cncs5)n34)c2)cn1,UOOCVAWJXSLMTO-UHFFFAOYSA-N,2,1,0.482,2,419,402.443,2.987,5,0.442,0.73,1.0,0.42450825851552326,0.34194023713247895,0.23273764649441436,0.17015626070865603,0.29233560071276815
EOS-2-44407,c1ncc(CCOc2cncc3nnc(-c4cncc(-c5cnsc5)c4)n23)cn1,JSZKEEZYUUQTRV-UHFFFAOYSA-N,2,1,0.539,65,419,402.443,2.721,5,0.427,0.63,1.0,0.48364574052498116,0.3613528887670482,0.24687307244191625,0.23572750325543143,0.3318998012473442
EOS-2-44408,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nc4)n23)cn1,XWBXQDZWVWGGBV-UHFFFAOYSA-N,2,1,0.588,55,283,402.443,2.987,5,0.442,0.75,1.0,0.3753769446919334,0.32741929956822696,0.2146100335823453,0.16741484476732232,0.27120528065245697
EOS-2-44409,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccncc5)n34)ccn2)s1,FGTGXRILMCMXIL-UHFFFAOYSA-N,2,1,0.488,75,241,402.443,2.987,5,0.442,0.79,1.0,0.39133712562538553,0.3025409499006237,0.1135288876704818,0.10148379137824687,0.2272226886436845
EOS-2-44410,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2)nc1,XKPVXNOICHATLI-UHFFFAOYSA-N,2,1,0.59,97,881,402.439,4.014,5,0.424,0.81,1.0,0.5826365567815777,0.5120279624426016,0.43469433212254127,0.3519978068672469,0.47033916455349184
EOS-2-44411,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4c(-c5ccc(F)cc5)nn(C)c4C4CC4)n23)s1,BPLKMVFWQGIHGF-UHFFFAOYSA-N,2,1,0.315,98,259,497.563,4.732,7,0.342,0.6,0.815,0.11728976766499898,0.2871718867795216,0.05446850798437393,0.1785432801041738,0.1593683606332671
EOS-2-44412,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)nn1C,CGNFIAOTUMZFAU-UHFFFAOYSA-N,2,1,0.413,92,45,402.422,1.603,5,0.436,0.66,1.0,0.18328935645260777,0.17017339455828936,0.026883010074703586,0.010991364539784798,0.09783428140634637
EOS-2-44413,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nnnn5C)n34)cc2)cn1C,FSZDHAOPOKKTOQ-UHFFFAOYSA-N,2,1,0.453,36,447,402.422,1.603,5,0.436,0.71,1.0,0.37538551161675004,0.36618463436364884,0.021674319786169557,0.013355835789185115,0.1941500753889384
EOS-2-44414,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nncn5C)cn4)n23)n(C)n1,GLESHMVWXJBEFH-UHFFFAOYSA-N,2,1,0.4,92,662,402.422,1.603,5,0.436,0.74,1.0,0.1773439106298403,0.1254797477897334,0.03022411075320403,0.014837913782468645,0.08697142073881159
EOS-2-44415,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nnn(C)n5)cc4)n23)n(C)n1,QVSRAXHEKLWVPU-UHFFFAOYSA-N,2,1,0.488,36,447,402.422,1.603,5,0.436,0.72,1.0,0.32602289082311015,0.2009543554245768,0.03525289562058803,0.017844904393119046,0.1450187615653485
EOS-2-44416,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)n(C)n4)n23)cn1,WSDMGNOGITXXHP-UHFFFAOYSA-N,2,1,0.435,31,569,402.422,1.337,5,0.418,0.68,1.0,0.2330460557878144,0.05762970324172435,0.019935234048385993,0.011916592419984922,0.08063189637447742
EOS-2-44417,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccn(C)n5)n34)ncn2)cn1,DYEOFXQJOGFEIE-UHFFFAOYSA-N,2,1,0.372,92,105,402.422,1.777,5,0.422,0.71,1.0,0.0659995887876088,0.04258618326365568,0.048694400657939826,0.022685216914536357,0.04499134740593516
EOS-2-44418,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nnnn5C)n34)cc2)n1,UZGVTRXZCWXMFY-UHFFFAOYSA-N,2,1,0.519,36,447,402.422,1.337,5,0.418,0.78,1.0,0.4524878349667603,0.39970701117126994,0.015780275512302103,0.0159944486327188,0.22099239257076278
EOS-2-44419,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnnn5C)cn4)n23)o1,VYAJNKJONWFGRH-UHFFFAOYSA-N,2,1,0.43,31,779,402.418,2.505,5,0.426,0.64,1.0,0.2545747378521006,0.10926255911178123,0.1277414159413337,0.08770817627304503,0.14482172229456514
EOS-2-44420,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nocc4C)n23)cc1,VYDLWKZBQQTLKT-UHFFFAOYSA-N,2,1,0.5,36,734,402.418,2.945,5,0.426,0.66,1.0,0.3455383455554794,0.19612260982797616,0.07884997601261051,0.056713042286340894,0.16930599342060176
EOS-2-44421,Cc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncon5)c4)n23)n1C,QKRLLLMEPQGZNT-UHFFFAOYSA-N,2,1,0.461,65,349,402.418,2.505,5,0.426,0.75,1.0,0.34308820505791243,0.17886025632239053,0.15209718319512028,0.09338804742649578,0.19185842300047976
EOS-2-44422,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cnco5)n34)ccn2)c(C)n1,SAGZKQXJLQAINS-UHFFFAOYSA-N,2,1,0.524,92,329,402.418,2.945,5,0.426,0.72,1.0,0.22767459392776368,0.11522513878418203,0.10825166198341443,0.06270988965800836,0.12846532108834213
EOS-2-44423,Cc1cc(COc2cncc3nnc(-c4cccc(-c5noc(C)n5)c4)n23)n(C)n1,FAQDLUVNSYIBDB-UHFFFAOYSA-N,2,1,0.466,36,506,402.418,2.771,5,0.441,0.73,1.0,0.28149201562607085,0.19613117675279282,0.07673394558289356,0.03958775957782194,0.14848622438489478
EOS-2-44424,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5cc(C)no5)n34)c2)cn1,MCHPMGSZOLTKAF-UHFFFAOYSA-N,2,1,0.483,92,711,402.418,2.945,5,0.426,0.76,1.0,0.14715406757590296,0.07646837091357686,0.12503426769926668,0.07320437255842643,0.10546526968679323
EOS-2-44425,Cn1cc(-c2c[nH]c(COc3cncc4nnc(-c5ccc(CO)cc5)n34)n2)cn1,DUELHZKRFDCBLM-UHFFFAOYSA-N,2,1,0.529,36,256,402.418,1.986,5,0.446,0.66,1.0,0.32094270440682615,0.2611455691864848,0.3535312864094305,0.24731855253238297,0.2957345281337811
EOS-2-44426,Cc1c(-c2cncc3nnc(-c4ccc(F)cc4)n23)c(-c2cccc(F)c2)nn1C,SNCJGZZXVQDOGR-UHFFFAOYSA-N,2,1,0.423,45,46,402.408,4.445,5,0.448,0.81,1.0,0.12808409293400042,0.44514598039887604,0.7085617846617778,0.7850644232746213,0.5167140703173189
EOS-2-44427,Cc1nn(C)c(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccccc3F)n12,RUFDHWZDKTZENZ-UHFFFAOYSA-N,2,1,0.437,45,46,402.408,4.445,5,0.448,0.73,1.0,0.0942361729833459,0.40447878829415396,0.7036101021177438,0.785072990199438,0.4968495133986704
EOS-2-44428,Cn1cnnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)cn4)cc3)n12,UZOMXIHHFFAGFZ-UHFFFAOYSA-N,2,1,0.488,36,22,402.393,2.7,5,0.446,0.74,1.0,0.7279658693715304,0.5629240627784251,0.305265231992324,0.3262199300938935,0.4805937735590432
EOS-2-44429,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(CO)cc5)n34)cn2)nn1,BXQBRNAGGLYZFY-UHFFFAOYSA-N,2,1,0.341,74,844,402.393,2.28,5,0.491,0.76,1.0,0.21933897608114591,0.2819032280172709,0.5191642108148858,0.5034524707011171,0.38096472140360493
EOS-2-44430,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cn1,VXEAIACSKZJQJG-UHFFFAOYSA-N,2,1,0.554,55,45,402.393,2.7,5,0.446,0.76,1.0,0.6171012953190322,0.5584692618737578,0.357232197930231,0.365096634911932,0.4744748475087383
EOS-2-44431,Cc1ccc(-c2nnc3cncc(OCc4ccnn4-c4ccc(F)nc4)n23)cn1,VEEIUWXPHANVQL-UHFFFAOYSA-N,2,1,0.467,4,390,402.393,2.794,5,0.417,0.7,1.0,0.31613665958467546,0.390086354602152,0.39840483859913645,0.33282502912754436,0.35936322047837704
EOS-2-44432,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncn5)n34)c(F)c2)n1,LZHQGLZUOQEZOC-UHFFFAOYSA-N,2,1,0.489,4,677,402.393,2.7,5,0.446,0.73,1.0,0.5161657871290521,0.5442395997532725,0.4842454252621479,0.41266876841888833,0.48932989514084024
EOS-2-44433,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)c1,BZMQXICUPLDUCG-UHFFFAOYSA-N,2,1,0.667,43,402,402.393,2.7,5,0.446,0.83,1.0,0.8088119388664246,0.7174199849222124,0.39092591323418546,0.43773559043245835,0.5887233568638202
EOS-2-44434,COc1ncc(F)cc1-c1nnc2cncc(-c3cccc(-c4nncn4C)c3)n12,OOPMELUBOINUKM-UHFFFAOYSA-N,2,1,0.314,61,336,402.393,2.796,5,0.456,0.8,1.0,0.30810945103145776,0.3274278664930437,0.2872575560276883,0.2684702899047358,0.2978162908642314
EOS-2-44435,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)n1,XWJBJILXIITBHT-UHFFFAOYSA-N,2,1,0.667,43,258,402.393,2.7,5,0.446,0.78,1.0,0.8060105544513742,0.6933726269618258,0.3909344801590021,0.41570145980398876,0.5765047803440477
EOS-2-44436,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)c1,ZYMQDGZBGZCXCJ-UHFFFAOYSA-N,2,1,0.477,55,823,402.393,2.7,5,0.446,0.68,1.0,0.7459992461106162,0.6016379960249468,0.46334212870947844,0.39984408196833665,0.5527058632033446
EOS-2-44437,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nn2)n1,HAUBNZUGZFKMNN-UHFFFAOYSA-N,2,1,0.57,36,32,402.393,2.7,5,0.446,0.68,1.0,0.639880748406552,0.6640309094647385,0.35353985333424714,0.3520063737920636,0.5023644712494003
EOS-2-44438,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1,VGOCSVXNZDROID-UHFFFAOYSA-N,2,1,0.577,36,734,402.393,2.7,5,0.417,0.79,1.0,0.8033719416078404,0.5167140703173189,0.45295044890686037,0.3998526488931533,0.5432222774312933
EOS-2-44439,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)cn4)n23)n1,FWIKSWXIIUYOBK-UHFFFAOYSA-N,2,1,0.427,46,119,402.393,2.7,5,0.446,0.71,1.0,0.3335532177369611,0.3419488040572956,0.4088821876499212,0.3747943938044,0.36479465081214446
EOS-2-44440,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)nc2)cn1,SCYBFTDHWXZUEI-UHFFFAOYSA-N,2,1,0.466,92,128,402.393,2.7,5,0.446,0.79,1.0,0.3569494894112809,0.3661932012884655,0.4669059694332123,0.39986121581796996,0.3974774689877322
EOS-2-44441,Cn1ccc(-c2cncc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)n1,QDMKAWGZCNMRLL-UHFFFAOYSA-N,2,1,0.448,2,422,402.393,2.7,5,0.446,0.71,1.0,0.49605921458433283,0.4366304571311082,0.5392622164347886,0.46313652251387843,0.483772102666027
EOS-2-44442,COc1nc(-c2ccc(F)cn2)ccc1-c1nnc2cncc(-c3cnn(C)c3)n12,WYDWXKAIIRCWIP-UHFFFAOYSA-N,2,1,0.352,50,985,402.393,2.797,5,0.456,0.76,1.0,0.3056593105338908,0.37094784456171614,0.33832499485984513,0.2741330272085532,0.3222662942910013
EOS-2-44443,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)nc2)cn1,AVQHXZARBCEKPV-UHFFFAOYSA-N,2,1,0.477,92,119,402.393,2.7,5,0.446,0.79,1.0,0.3260314577479268,0.3469347543005963,0.47037557398396274,0.41267733534370504,0.38900478034404773
EOS-2-44444,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1c[nH]nn1,VBQHVGYBLMHWSS-UHFFFAOYSA-N,2,1,0.581,37,619,402.393,2.732,5,0.465,0.63,1.0,0.8270851895003769,0.6835977657460078,0.5191727777397026,0.5099461997121513,0.6349504831745596
EOS-2-44445,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)n1,WEUZKODRLALZTG-UHFFFAOYSA-N,2,1,0.477,55,283,402.393,2.7,5,0.446,0.69,1.0,0.5885734356795285,0.48929134397916524,0.44212185593859227,0.3811424850935508,0.4752822801727092
EOS-2-44446,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4c[nH]nn4)cc3)n12,QKDJOHNVXCANDI-UHFFFAOYSA-N,2,1,0.533,15,889,402.393,2.732,5,0.465,0.59,1.0,0.8138321568089918,0.7082105407442945,0.4054468507984374,0.4126859022685217,0.5850438626550614
EOS-2-44447,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccncc4F)n23)c1,OGHXOFFZTZNDOY-UHFFFAOYSA-N,2,1,0.438,2,422,402.393,2.7,5,0.446,0.73,1.0,0.5770166541018436,0.4496007813035433,0.582165375916661,0.5067593036803509,0.5288855287505997
EOS-2-44448,Cn1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)c(-c2ccccn2)n1,HVWFQDDAYXMALH-UHFFFAOYSA-N,2,1,0.449,55,62,402.393,2.7,5,0.446,0.71,1.0,0.4245168254403399,0.2871804537043383,0.3052737989171407,0.30773250633952437,0.3311758961003359
EOS-2-44449,Cn1cnnc1COc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)cc3)n12,BYHZTWUXLXPOMA-UHFFFAOYSA-N,2,1,0.494,36,320,402.393,2.7,5,0.417,0.74,1.0,0.6485676101706531,0.5629326297032418,0.3609245425262148,0.3715389623740662,0.485990936193544
EOS-2-44450,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccccc4F)n23)cc1,NIJWVHGPPYFISK-UHFFFAOYSA-N,2,1,0.588,43,402,402.393,2.7,5,0.446,0.85,1.0,0.6764101158248236,0.6640394763895552,0.372292851757933,0.4157100267288054,0.5321131176752794
EOS-2-44451,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4cccc(F)c4)n23)cc1,RPNZVSIHCFWTAZ-UHFFFAOYSA-N,2,1,0.62,43,402,402.393,2.7,5,0.446,0.83,1.0,0.6941950517442259,0.6064868754711809,0.3909430470838188,0.4349256390925913,0.5316376533479541
EOS-2-44452,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,LRKJQNXZRIRVQS-UHFFFAOYSA-N,2,1,0.704,43,402,402.393,2.7,5,0.446,0.84,1.0,0.8863597423069015,0.7406363511753821,0.412214721403605,0.45047460763484337,0.622421355630183
EOS-2-44453,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1,UNJFWDLKKWIYON-UHFFFAOYSA-N,2,1,0.576,47,320,402.393,2.732,5,0.465,0.67,1.0,0.9082054005894045,0.7669453772873689,0.3984134055239531,0.37480296072921665,0.6120917860324857
EOS-2-44454,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cc2)n1,XEMYZBZYHWBYAF-UHFFFAOYSA-N,2,1,0.531,16,256,402.393,2.7,5,0.446,0.78,1.0,0.8060191213761908,0.5395192241792885,0.5191813446645193,0.45384140908779386,0.5796402748269481
EOS-2-44455,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1,HRACQOBARSGICC-UHFFFAOYSA-N,2,1,0.551,15,589,402.393,2.732,5,0.465,0.61,1.0,0.8367401137687616,0.7359759440751148,0.45967548488794463,0.45688266739771094,0.622318552532383
EOS-2-44456,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cn1,CVBUIGYMFMTVLM-UHFFFAOYSA-N,2,1,0.636,36,32,402.393,2.7,5,0.446,0.8,1.0,0.8808769104242341,0.7082191076691111,0.37230141868274963,0.3781354944829004,0.5848832328147487
EOS-2-44457,Cn1cc(-c2cncc(COc3cncc4nnc(-c5cccc(F)c5)n34)n2)cn1,STCKFZDHBOZFQP-UHFFFAOYSA-N,2,1,0.529,92,399,402.393,2.7,5,0.446,0.78,1.0,0.347842848331163,0.43663902405592486,0.4197364813926393,0.3998697827427867,0.4010220341306285
EOS-2-44458,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nc[nH]n1,FYTNEBRYADYGHO-UHFFFAOYSA-N,2,1,0.588,47,164,402.393,2.732,5,0.465,0.59,1.0,0.8769875265574669,0.7752038928106367,0.4529590158316771,0.434934206017408,0.6350211603042972
EOS-2-44459,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(F)nn5)n34)c2)cn1,ZQAXGKDBNGYRMP-UHFFFAOYSA-N,2,1,0.438,53,250,402.393,2.7,5,0.446,0.7,1.0,0.5037094784456172,0.39971557809608665,0.46691453635802893,0.4285004454800905,0.44971000959495583
EOS-2-44460,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)cn1,RXPMDMUSSUERNN-UHFFFAOYSA-N,2,1,0.477,55,468,402.393,2.7,5,0.446,0.76,1.0,0.5393992872318553,0.47142930573641284,0.5191899115893359,0.4442207525186759,0.49355981426907
EOS-2-44461,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5)n34)n2)cn1,HECJCEFLWHUVCI-UHFFFAOYSA-N,2,1,0.556,16,399,402.393,2.7,5,0.446,0.78,1.0,0.5317318895209375,0.6016465629497636,0.44564286203824277,0.4188883558357892,0.49947741758618325
EOS-2-44462,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)n1,NBSJTBYBIGWDHP-UHFFFAOYSA-N,2,1,0.465,55,283,402.393,2.7,5,0.446,0.75,1.0,0.6141542731820986,0.5214515797409361,0.4703841409087794,0.40285107257898706,0.5022102666027003
EOS-2-44463,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cn2)n1,LHLUZZKRGNOOSJ-UHFFFAOYSA-N,2,1,0.518,4,617,402.393,2.7,5,0.446,0.65,1.0,0.452496401891577,0.5078301692824344,0.3909516140086355,0.33613186210677815,0.4218525118223563
EOS-2-44464,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cn4)n23)c1,ZTPNJZDZOQSZST-UHFFFAOYSA-N,2,1,0.443,87,304,402.393,2.732,5,0.465,0.68,1.0,0.6310396819957508,0.6208022068398328,0.36466828867109863,0.36510520183674866,0.4954038448358577
EOS-2-44465,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)nc1,DXQAUIAWIDOLHH-UHFFFAOYSA-N,2,1,0.536,46,348,402.393,2.7,5,0.446,0.82,0.998,0.5659567541635254,0.46719724487697895,0.37988314714550064,0.3781440614077171,0.44779530189843053
EOS-2-44466,Cn1ccnc1-c1ccnc(COc2cncc3nnc(-c4ccc(F)cc4)n23)n1,NSBRCSDWIGMPGW-UHFFFAOYSA-N,2,1,0.549,73,335,402.393,2.7,5,0.446,0.75,1.0,0.8663131382358988,0.7359845109999315,0.2468816393667329,0.2592951134260846,0.527118600507162
EOS-2-44467,Cn1cnc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccn4)n23)n1,YCHBNSHKIOMQNT-UHFFFAOYSA-N,2,1,0.437,46,503,402.393,2.7,5,0.446,0.8,1.0,0.3522462476869303,0.3900949215269687,0.29812898362003976,0.33913885271742855,0.34490225138784186
EOS-2-44468,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(F)nc4)n23)ccn1,SJRWPYWVOASQIZ-UHFFFAOYSA-N,2,1,0.449,55,283,402.393,2.7,5,0.417,0.69,1.0,0.6545815913919539,0.5214601466657529,0.4942515934480159,0.41889692276060586,0.5222975635665821
EOS-2-44469,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cn2)cn1,GGTVFGOBAYYKFF-UHFFFAOYSA-N,2,1,0.529,92,860,402.393,2.7,5,0.446,0.8,1.0,0.35927969296141454,0.45400418065931053,0.47039270783359605,0.4093619354396546,0.4232596292234939
EOS-2-44470,Fc1cc(-c2nnc3cncc(OCCc4ccncn4)n23)ccc1-c1cc[nH]n1,NDSWJTKHOHRPLK-UHFFFAOYSA-N,2,1,0.489,37,563,402.393,2.732,5,0.465,0.62,1.0,0.8619954081282982,0.7539664861901172,0.4633506956342951,0.4475361524227263,0.6317121855938592
EOS-2-44471,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)n1,VERMSJZVPPRAMN-UHFFFAOYSA-N,2,1,0.432,54,691,402.393,2.7,5,0.446,0.69,1.0,0.35928825988623125,0.39472106092796927,0.31635939962990883,0.3361404290315948,0.351627287368926
EOS-2-44472,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncnc5)n34)c(F)c2)cn1,SWMMBPRNVBCREX-UHFFFAOYSA-N,2,1,0.494,16,256,402.393,2.7,5,0.446,0.78,1.0,0.657571448152971,0.582730792954561,0.598048454526763,0.5201751079432527,0.589631450894387
EOS-2-44473,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)nn1,RGFRPQQNPPPYOU-UHFFFAOYSA-N,2,1,0.5,4,534,402.393,2.998,5,0.482,0.65,1.0,0.6426564320471524,0.6787146186005072,0.44915530121307656,0.40937050236447126,0.5449742135563018
EOS-2-44474,Fc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cc[nH]n1,ZMPAEFADBKIIQN-UHFFFAOYSA-N,2,1,0.545,37,361,402.393,2.732,5,0.465,0.62,1.0,0.9142964841340553,0.7881056815845384,0.504720375573984,0.49348913713933246,0.6751529196079776
EOS-2-44475,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccncc4)n23)nc1F,BWNGWWYUHDRUDJ-UHFFFAOYSA-N,2,1,0.416,46,565,402.393,2.7,5,0.417,0.73,0.999,0.5857120827907615,0.4540127475841272,0.4563772188335275,0.3873449386608183,0.47086174696730865
EOS-2-44476,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1,FRRGDQNJHVSOLV-UHFFFAOYSA-N,2,1,0.662,43,402,402.393,2.7,5,0.446,0.8,1.0,0.8060276883010075,0.6738400383798232,0.3984219724487698,0.437744157357275,0.5790084641217189
EOS-2-44477,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c2)cn1,JBWOTUPHJZLRER-UHFFFAOYSA-N,2,1,0.4,18,565,402.393,2.7,5,0.417,0.72,1.0,0.42925433486395725,0.30767253786580767,0.5392707833596052,0.4504831745596601,0.43167020766225755
EOS-2-44478,Cn1cncc1-c1cncc(COc2cncc3nnc(-c4ccc(F)cc4)n23)n1,PXPKFMMIKGBGBE-UHFFFAOYSA-N,2,1,0.556,7,212,402.393,2.7,5,0.446,0.73,1.0,0.7250017133849633,0.6689740250839559,0.40889075457473784,0.3937358645740525,0.5491505894044273
EOS-2-44479,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ncn2)cn1,FNPCSHWJZWDSRJ-UHFFFAOYSA-N,2,1,0.542,4,32,402.393,2.7,5,0.446,0.76,1.0,0.5161743540538688,0.5827393598793777,0.4910304297169488,0.4410167226372421,0.5077402165718594
EOS-2-44480,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2)n1,NAGIFCLSVZAWMQ-UHFFFAOYSA-N,2,1,0.556,4,320,402.393,2.7,5,0.417,0.73,1.0,0.5687752724282091,0.49880063052566653,0.3535484202590638,0.30121307655404017,0.4305843499417449
EOS-2-44481,Cn1cc(-c2cnc(COc3cncc4nnc(-c5cccc(F)c5)n34)nc2)cn1,HZVXKBKDPZXCNI-UHFFFAOYSA-N,2,1,0.549,51,969,402.393,2.7,5,0.446,0.83,1.0,0.4960677815091495,0.5120365293674183,0.4308049482557741,0.3937444314988692,0.45816342265780274
EOS-2-44482,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nc4)n23)n1,LUOVGOUHBVSGJB-UHFFFAOYSA-N,2,1,0.466,55,422,402.393,2.7,5,0.446,0.75,1.0,0.4020286477965869,0.44960934822835996,0.41222328832842164,0.36833493249263244,0.40804905421150023
EOS-2-44483,Cc1ccoc1-c1ccc(-c2nnc3cncc(OCc4cccnn4)n23)cc1F,XXZGRFMYIZJMRG-UHFFFAOYSA-N,2,1,0.529,4,534,402.389,3.868,5,0.441,0.72,1.0,0.7920293331505722,0.6493900349530533,0.6309111781235008,0.5696919333835926,0.6605056199026798
EOS-2-44484,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccccc5F)n34)cc2)o1,FNMNNGSAFPQTLW-UHFFFAOYSA-N,2,1,0.562,43,178,402.389,3.868,5,0.441,0.86,1.0,0.8882787334658351,0.812332944966075,0.6014666575286135,0.5632410389966418,0.7163298437392913
EOS-2-44485,Cc1nc(-c2ccc(COc3cncc4nnc(-c5cccc(F)c5)n34)cc2)no1,BLUPNGPWZOIHSY-UHFFFAOYSA-N,2,1,0.59,43,230,402.389,3.868,5,0.441,0.83,1.0,0.7187735590432458,0.6689825920087725,0.5728616955657597,0.5438883558357892,0.6261265506133918
EOS-2-44486,Cc1ccccc1-c1nnc2cncc(OCc3nc(-c4cccc(F)c4)no3)n12,UKKCQJHQMUWWEX-UHFFFAOYSA-N,2,1,0.553,1,700,402.389,3.868,5,0.441,0.81,1.0,0.5317404564457542,0.6394781029401686,0.40188301007470356,0.43494277294222466,0.5020110856007127
EOS-2-44487,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)cc2)o1,YNVIOUIEDMZAOS-UHFFFAOYSA-N,2,1,0.671,43,909,402.389,3.868,5,0.441,0.85,1.0,0.9068089918442875,0.8163165650058255,0.6166215475292989,0.5728959632650263,0.7281607669111095
EOS-2-44488,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)o1,LVTUZQBEJODKMK-UHFFFAOYSA-N,2,1,0.593,43,613,402.389,3.868,5,0.441,0.82,1.0,0.7519960934822836,0.6886179836885752,0.5789784798848605,0.5501507778767734,0.6424358337331231
EOS-2-44489,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)c1,YTNJHUQOFQYQOF-UHFFFAOYSA-N,2,1,0.552,58,981,402.389,3.602,5,0.428,0.8,1.0,0.8551333013501473,0.7406449181001987,0.5660252895620588,0.5438969227606059,0.6764251079432526
EOS-2-44490,Oc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)c(F)c1,ZBMWVAZENHMZMF-UHFFFAOYSA-N,2,1,0.535,4,850,402.389,3.401,5,0.485,0.56,0.997,0.5345332739359879,0.5629411966280584,0.7191333698855459,0.6768127612912069,0.6233551504351998
EOS-2-44491,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)c1,LNPPSTLCJJRFQZ-UHFFFAOYSA-N,2,1,0.646,11,56,402.389,3.602,5,0.428,0.71,1.0,0.7977606058529231,0.7669539442121855,0.6014752244534302,0.585360838873278,0.6878876533479542
EOS-2-44492,Cc1oncc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccn1,BUEROCIXNFSTGJ-UHFFFAOYSA-N,2,1,0.588,97,183,402.389,3.868,5,0.441,0.77,1.0,0.8112963470632581,0.6064954423959975,0.6492529641559865,0.6097080392022479,0.6691881982043726
EOS-2-44493,Cc1cc(-c2cocn2)ccc1COc1cncc2nnc(-c3ccc(F)cn3)n12,BMQSCAZJPVFSDU-UHFFFAOYSA-N,2,1,0.465,44,348,402.389,3.868,5,0.441,0.64,1.0,0.8367486806935782,0.5924885203207456,0.6769583990130903,0.6129977383318485,0.6797983345898156
EOS-2-44494,COc1cc(-c2nnc3cncc(Oc4cccc(F)c4)n23)ccc1-c1cn[nH]c1,JOFYRBRRJFOARG-UHFFFAOYSA-N,2,1,0.602,13,209,402.389,4.121,5,0.476,0.71,1.0,0.7667312041669523,0.7312127338770475,0.8349324926324446,0.7732677678020697,0.7765360496196285
EOS-2-44495,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)no2)cc1,UMXJKHLDGKCGQX-UHFFFAOYSA-N,2,1,0.545,11,275,402.389,3.602,5,0.428,0.82,1.0,0.49607634843396614,0.4366475909807416,0.4669231032828456,0.49991433075183334,0.4748903433623467
EOS-2-44496,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)o1,DFSHYCIVRJBAKW-UHFFFAOYSA-N,2,1,0.649,43,909,402.389,3.868,5,0.441,0.82,1.0,0.9211671578370229,0.851715098348297,0.5947758892467959,0.5665221712014256,0.7335450791583853
EOS-2-44497,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4)n23)ccc1-c1cc[nH]n1,KGAQQUFDFJUSTC-UHFFFAOYSA-N,2,1,0.585,13,209,402.389,4.121,5,0.476,0.75,1.0,0.8769960934822836,0.7406534850250154,0.7967925433486396,0.7215492426838462,0.7839978411349463
EOS-2-44498,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5cccc(F)c5)n34)c2)o1,KUHWHFLYTCASSX-UHFFFAOYSA-N,2,1,0.565,43,909,402.389,3.868,5,0.441,0.86,1.0,0.7065571242546775,0.6738486053046399,0.5728702624905764,0.5469039133712562,0.6250449763552876
EOS-2-44499,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,JZXCNDLZWPPHHU-UHFFFAOYSA-N,2,1,0.697,91,660,402.389,3.602,5,0.428,0.78,1.0,0.9650983482968953,0.9158642313755054,0.6464601466657529,0.6245459529847166,0.7879921698307175
EOS-2-44500,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccc(F)cn3)n12,NKHCTJXMLQOOJA-UHFFFAOYSA-N,2,1,0.432,44,348,402.389,3.868,5,0.441,0.78,1.0,0.6942036186690426,0.5877938455212117,0.3646768555959153,0.39086594476046876,0.5093850661366596
EOS-2-44501,Fc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5cocn5)c4)n23)c1,WPTBKNWXAAIQIP-UHFFFAOYSA-N,2,1,0.557,11,275,402.389,3.602,5,0.428,0.68,1.0,0.7637670481803852,0.5924970872455624,0.5660338564868754,0.5568758138578576,0.6197934514426702
EOS-2-44502,Cc1cnc(-c2nnc3cncc(OCc4cnnc(-c5nnn(C)n5)c4)n23)cn1,XZAMRSVFIFBZIE-UHFFFAOYSA-N,2,1,0.424,92,828,402.382,0.449,5,0.403,0.61,1.0,0.2757436090740868,0.0962579672400795,0.007453224590500994,0.0035467068741004727,0.09575037694469195
EOS-2-44503,OCc1ccc(-c2nnc3cncc(OCc4noc(-c5cccnn5)n4)n23)cc1,BLTRWTJSALDXFG-UHFFFAOYSA-N,2,1,0.506,89,731,402.374,1.703,5,0.446,0.75,1.0,0.531749023370571,0.3517922006716469,0.11082173942841478,0.10572441916249743,0.2750218456582825
EOS-2-44504,COc1ncncc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,KONPGTWJBQSEFC-UHFFFAOYSA-N,2,1,0.471,72,22,402.374,2.219,5,0.417,0.75,1.0,0.6059214584332808,0.30254951682544035,0.18054794051127407,0.10149235830306354,0.2976278185182647
EOS-2-44505,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncon5)cn4)n23)cc1,FELXBCGPZDRKFH-UHFFFAOYSA-N,2,1,0.529,7,408,402.374,1.703,5,0.446,0.7,1.0,0.5135700089096018,0.3319683366458776,0.19045987252415872,0.15700603111507094,0.29825106229867726
EOS-2-44506,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccncc5)n34)cn2)o1,OLNVBUFCFLTFNT-UHFFFAOYSA-N,2,1,0.459,55,283,402.374,2.219,5,0.417,0.73,1.0,0.4811784661777808,0.28718902062915497,0.11676718525118224,0.06764443835240902,0.23819477760263175
EOS-2-44507,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cc2)o1,CZJJPISAWGZMGB-UHFFFAOYSA-N,2,1,0.506,72,534,402.374,2.219,5,0.417,0.75,1.0,0.47634672058118016,0.36136145569186484,0.1082602289082311,0.06120211089027483,0.2517926290178877
EOS-2-44508,O=c1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccon5)n34)c2)n[nH]1,KPCAHIBVIOOQQU-UHFFFAOYSA-N,2,1,0.539,87,838,402.374,1.546,5,0.448,0.65,0.986,0.419924953738606,0.20540058940442738,0.1306713042286341,0.11961997121513261,0.2189042046467
EOS-2-44509,COc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1ncon1,OLZKTXVOTFIEIQ-UHFFFAOYSA-N,2,1,0.529,4,248,402.374,2.219,5,0.417,0.72,1.0,0.4405969433212254,0.22028133781097936,0.18055650743609075,0.11013638544308135,0.2378927935028442
EOS-2-44510,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5nnc(C)o5)nc4)n23)cn1,JIHJLDOQTTXLDI-UHFFFAOYSA-N,2,1,0.414,53,617,402.374,2.741,5,0.433,0.79,1.0,0.3935473922280858,0.21525255294359535,0.1194657665684326,0.05816941950517442,0.19660878281132205
EOS-2-44511,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccccn5)n34)n2)o1,AAYBDPWKHLKRLO-UHFFFAOYSA-N,2,1,0.488,53,122,402.374,2.219,5,0.417,0.63,0.979,0.32861010211774383,0.13570865602083476,0.04549893770132273,0.02526386128435337,0.13377038928106366
EOS-2-44512,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccnnc5F)n34)cc2F)cn1,SDWLIWJCPQAVTN-UHFFFAOYSA-N,2,1,0.359,82,478,402.368,3.292,5,0.457,0.66,1.0,0.3913456925502022,0.4845624014803646,0.7036186690425604,0.6912651634569255,0.5676979816325132
EOS-2-44513,FC(F)c1cccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)c1,QBXFYKNROMRKOE-UHFFFAOYSA-N,2,1,0.304,50,216,402.368,3.643,5,0.453,0.74,1.0,0.1917449112466589,0.23062161606469742,0.8224847508738263,0.803072099239257,0.5119808443561099
EOS-2-44514,Fc1ccc(Oc2cncc3nnc(-c4cnnc(-c5ccc(F)cc5)c4)n23)cc1,WDOQGXNOSOJPPJ-UHFFFAOYSA-N,2,1,0.579,34,15,402.364,4.319,5,0.446,0.66,1.0,0.6822441916249743,0.7622421355630183,0.8795833047769173,0.9047957645123706,0.8072163491193202
EOS-2-44515,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)cc1F,RFJWVRJNAJOGKQ-UHFFFAOYSA-N,2,1,0.537,13,573,402.364,4.319,5,0.446,0.8,1.0,0.7547889109725173,0.6546672606401206,0.8869337262696183,0.890497566993352,0.7967218662189021
EOS-2-44516,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nn4)n23)c(F)c1,QOVKWALBPONZBU-UHFFFAOYSA-N,2,1,0.5,57,417,402.364,4.319,5,0.446,0.87,1.0,0.8190836817216092,0.872421355630183,0.8152799671030087,0.8360804605578781,0.8357163662531697
EOS-2-44517,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)c(F)c1,LTQSKAXDVCGGLY-UHFFFAOYSA-N,2,1,0.424,19,616,402.364,4.319,5,0.446,0.84,1.0,0.6670207662257556,0.7082276745939278,0.7991912822973065,0.8381622232883285,0.7531504866013295
EOS-2-44518,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c(F)c1,CDLPADRNNRAKRA-UHFFFAOYSA-N,2,1,0.532,13,913,402.364,4.319,5,0.446,0.77,1.0,0.855141868274964,0.8451785347131794,0.9186827496401891,0.9126602014940717,0.8829158385306011
EOS-2-44519,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c(F)c1,SPCBQGMEPZWSED-UHFFFAOYSA-N,2,1,0.538,13,145,402.364,4.319,5,0.446,0.82,1.0,0.8293811253512439,0.854730655883764,0.8938900692207525,0.8865910492769515,0.866148224933178
EOS-2-44520,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1F,KBYBWXURAMKHOA-UHFFFAOYSA-N,2,1,0.597,13,573,402.364,4.319,5,0.446,0.77,1.0,0.8936930299499691,0.8163251319306422,0.8891525597971353,0.8851432389829347,0.8710784901651704
EOS-2-44521,Fc1cccc(Oc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)c1,IVMCXLJICJXAQI-UHFFFAOYSA-N,2,1,0.608,57,613,402.364,4.319,5,0.446,0.81,1.0,0.7095641148653279,0.7495630868343499,0.8462408333904462,0.8613271879925982,0.7916738057706806
EOS-2-44522,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccc(F)nc5)c4)n23)cc1,BROYQNPBXFHDFE-UHFFFAOYSA-N,2,1,0.579,13,995,402.364,4.319,5,0.417,0.75,1.0,0.7310670961551642,0.7312213008018642,0.9009063806456035,0.902388458638887,0.8163958090603798
EOS-2-44523,Fc1ccc(F)c(-c2nnc3cncc(Oc4cccc(-c5cccnc5)n4)n23)c1,WUPYVQSKQMHEIN-UHFFFAOYSA-N,2,1,0.385,13,417,402.364,4.319,5,0.446,0.79,1.0,0.7490062367212665,0.7838393530258378,0.8382478925364951,0.8381707902131451,0.8023160681241862
EOS-2-44524,Fc1ccc(-c2nnc3cncc(Oc4ccnc(-c5cccc(F)c5)n4)n23)cc1,VKDBTYCQCSRGDU-UHFFFAOYSA-N,2,1,0.507,57,417,402.364,4.319,5,0.446,0.84,1.0,0.891893975738469,0.9176118840381057,0.817053320540059,0.8340758001507779,0.8651587451168529
EOS-2-44525,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1F,SNKLAVUFUAKZKX-UHFFFAOYSA-N,2,1,0.681,13,15,402.364,4.319,5,0.446,0.8,1.0,0.9128743746144884,0.8831214447262011,0.9064577479268042,0.8973682406963196,0.8999554519909533
EOS-2-44526,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nn4)n23)cn1,GLFMIFJSERCKKK-UHFFFAOYSA-N,2,1,0.393,53,435,402.353,1.546,5,0.399,0.66,0.979,0.6368137893221849,0.47600404358851345,0.19392947707490918,0.17302618052223973,0.3699433726269618
EOS-2-44527,Fc1nc(-c2nnc3cncc(OCc4ncncn4)n23)ccc1-c1cncnc1,WGFRMGPXIZLMAF-UHFFFAOYSA-N,2,1,0.37,51,435,402.353,1.546,5,0.399,0.61,1.0,0.6368223562470016,0.5534490439311904,0.1838976081145912,0.17560482489205675,0.38744345829620996
EOS-2-44532,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(F)c1,NJOKDRXXONKOES-UHFFFAOYSA-N,2,1,0.381,10,39,402.349,3.086,5,0.335,0.8,0.999,0.06600815571242546,0.13952093756425193,0.36093310945103146,0.26847885682955247,0.20873526488931532
EOS-2-44533,CCOc1ccnc(COc2cncc3nnc(-c4c(F)ccc(F)c4F)n23)n1,XGAKXEOXFAIXKB-UHFFFAOYSA-N,2,1,0.452,90,255,402.336,2.976,4,0.458,0.59,1.0,0.7339455828935645,0.8004334863957234,0.6492615310808032,0.5853694057980947,0.6922525015420464
EOS-2-44534,O=[N+]([O-])c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)nc4)n23)cc1,LOKJEZKXQPCWNK-UHFFFAOYSA-N,2,1,0.455,72,374,402.33,2.937,5,0.317,0.67,0.979,0.6455006510862861,0.2460078130354328,0.20798780069906106,0.07520046604071003,0.29367418271537243
EOS-2-44535,COc1nncnc1COc1cncc2nnc(-c3ccc(OC(F)F)cn3)n12,OMDDPJOUMWCSSP-UHFFFAOYSA-N,2,1,0.422,68,457,402.321,1.56,4,0.45,0.64,1.0,0.5659653210883421,0.47601261051333016,0.2720598314029196,0.20053457610856007,0.378643084778288
EOS-2-44536,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4ccc(Br)cc4)ncn3)n12,XFJIMCXDWXDFCL-UHFFFAOYSA-N,2,1,0.425,13,145,497.715,5.596,5,0.322,0.71,1.0,0.7637756151052019,0.820068878075526,0.9064663148516209,0.9316445068878075,0.8554888287300391
EOS-2-44537,Cn1nc(-c2cnc(Br)cn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,IQUMYJIVGGLBTN-UHFFFAOYSA-N,2,1,0.536,4,32,497.744,3.977,5,0.362,0.66,1.0,0.6115413611130148,0.8200774450003426,0.4018915769995203,0.46001816188061134,0.5733821362483723
EOS-2-44538,OCc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1Cl,WCCXBZOJPRSACG-UHFFFAOYSA-N,2,1,0.542,90,708,402.241,3.564,4,0.514,0.75,1.0,0.7892536495099719,0.8639915016105819,0.8618926050304982,0.8878503872250018,0.8507470358440135
EOS-2-44539,Clc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccc(Cl)c(Cl)c5)cc4)n23)cc1,XGFIBFSCNIPBOC-UHFFFAOYSA-N,2,1,0.722,57,590,497.769,7.123,5,0.25,0.89,1.0,0.9912874374614489,0.9927952162291823,0.9827119457199643,0.9908419573709821,0.9894091391953944
EOS-2-44540,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(Cl)n2)cc1,AWWKLZBWSYRNOB-UHFFFAOYSA-N,2,1,0.585,88,429,497.773,5.83,5,0.275,0.72,1.0,0.9263073127270235,0.9553234870810774,0.8662103351380989,0.9285861147282571,0.9191068124186142
EOS-2-44541,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2Cl)cc1,RAEAECVBFXXTRP-UHFFFAOYSA-N,2,1,0.561,57,372,497.773,5.83,5,0.294,0.74,1.0,0.9313446645192242,0.9687906928928792,0.8675724761839491,0.9358851346720581,0.9258982420670276
EOS-2-44542,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)c(Cl)c5)ccn4)n23)c1,QPFAJJQMLZEZSE-UHFFFAOYSA-N,2,1,0.494,88,503,497.773,5.83,5,0.294,0.79,1.0,0.8341614693989445,0.8083835926255911,0.9102528956205881,0.9487098211226098,0.8753769446919334
EOS-2-44543,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(Cl)n2)cc1,MFCJAMHWANGQKU-UHFFFAOYSA-N,2,1,0.536,11,275,497.773,5.83,5,0.275,0.7,1.0,0.9019087108491536,0.95002056061956,0.8349410595572613,0.9104413679665547,0.8993279247481323
EOS-2-44544,Clc1ccc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c1,AXSHCBGIEXPDGR-UHFFFAOYSA-N,2,1,0.573,91,613,497.773,5.83,5,0.294,0.78,1.0,0.9068175587691042,0.955332054005894,0.8986875471180865,0.9410424234116921,0.9254698958261942
EOS-2-44545,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)c2)nn1,UKTOTJHJHXLFGS-UHFFFAOYSA-N,2,1,0.731,91,613,497.773,5.83,5,0.294,0.81,1.0,0.9387807552600919,0.9589815639777945,0.9093191008155712,0.9417963127955589,0.9372194332122542
EOS-2-44546,Clc1ccc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c1,GFWDKUIFVQYIGI-UHFFFAOYSA-N,2,1,0.473,88,384,497.773,5.83,5,0.275,0.79,1.0,0.7693269823864026,0.834923925707628,0.9130114454115551,0.9487183880474265,0.8664951853882531
EOS-2-44547,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(Cl)c5)nc4)n23)c1,UNJOKEPZZRZJGW-UHFFFAOYSA-N,2,1,0.58,84,429,497.773,5.83,5,0.294,0.86,1.0,0.9313532314440408,0.9500291275443766,0.9130200123363718,0.9480587348365431,0.9356152765403332
EOS-2-44548,Clc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)c(Cl)c5)ccn4)n23)c1,KQMZRQKYVBBHLO-UHFFFAOYSA-N,2,1,0.462,11,503,497.773,5.83,5,0.294,0.78,0.998,0.7574703584401343,0.7794702213693373,0.8891611267219519,0.9393461722979919,0.8413619697073539
EOS-2-44550,FC(F)(F)Oc1ccccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccn1,ZGIAOIUHPJPQNO-UHFFFAOYSA-N,2,1,0.576,1,640,497.864,5.984,5,0.287,0.81,1.0,0.9929579878006991,0.9858388732780481,0.9895226509492153,0.982412103351381,0.9876829038448358
EOS-2-44551,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)cc4)n23)cc1Cl,JSSZBODLMFNAQM-UHFFFAOYSA-N,2,1,0.583,1,640,497.864,5.984,5,0.287,0.82,1.0,0.9692790076074292,0.9694760468782126,0.9931293262970324,0.9876207936399151,0.9798762936056473
EOS-2-44552,Fc1cc(Cl)cnc1Oc1ccc(-c2nnc3cncc(OCC(F)(F)c4ccccc4)n23)cc1,KOSKKRPHBNTHBU-UHFFFAOYSA-N,2,1,0.534,79,881,497.864,5.942,5,0.277,0.71,1.0,0.9745819340689467,0.9827033787951477,0.9891885408813652,0.9812384346514975,0.9819280720992392
EOS-2-44553,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)nc4)n23)cc1,HDBVJNIWRFWTDD-UHFFFAOYSA-N,2,1,0.6,1,640,497.864,5.984,5,0.287,0.78,1.0,0.9908248235213488,0.9769892399424303,0.9906791857994655,0.9846395038037146,0.9857831882667398
EOS-2-44554,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cc1Cl,QMLYQLNFYBTPBV-UHFFFAOYSA-N,2,1,0.712,1,640,497.864,5.826,5,0.282,0.85,1.0,0.9921526968679323,0.9921526968679323,0.9862672195188815,0.9827033787951477,0.9883189980124735
EOS-2-44555,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)ccc1Cl,YFXVPMLANYYEQE-UHFFFAOYSA-N,2,1,0.712,1,640,497.864,5.826,5,0.282,0.83,1.0,0.9926324446576656,0.9926581454321157,0.9862757864436982,0.9827119457199643,0.988569580563361
EOS-2-44556,FC(F)(F)Oc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c1,JPAYKJWRGUAPPI-UHFFFAOYSA-N,2,1,0.588,1,640,497.864,5.984,5,0.287,0.83,1.0,0.9742735247755465,0.9832516619834144,0.9906877527242821,0.9852134877664314,0.9833566068124187
EOS-2-44557,FC(F)(F)Oc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cn4)c3)n12,VQYAWVJSGIONJX-UHFFFAOYSA-N,2,1,0.505,1,640,497.864,5.984,5,0.287,0.66,1.0,0.9677369611404291,0.9520766225755602,0.9887601946405319,0.979961962853814,0.9721339353025837
EOS-2-44558,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(Oc5cccc(Cl)c5)cn4)n23)cc1,BEHYVIJSVADSBA-UHFFFAOYSA-N,2,1,0.575,1,881,497.864,6.23,5,0.277,0.78,1.0,0.9607977520389281,0.9641559865670619,0.9924097046124323,0.9855047632101981,0.9757170516071552
EOS-2-44559,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccc2F)cc(F)c1=O,WGFUWWDXHFHOHA-UHFFFAOYSA-N,2,1,0.697,59,13,497.864,4.807,5,0.348,0.69,1.0,0.9551178808854773,0.9137653347954219,0.9704098416832294,0.9742478240010966,0.9533852203413062
EOS-2-44560,Oc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4ccc(C(F)(F)F)nc4)c3)n12,PGTRIOMTVVJLID-UHFFFAOYSA-N,2,1,0.511,1,138,497.864,5.81,5,0.33,0.72,1.0,0.9657065999588788,0.9726972106092797,0.9902679734082653,0.9793108765677473,0.9769956651360427
EOS-2-44561,Fc1ccc(-c2ccc(Cl)cc2)nc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,OPKZPXLGWOYKFY-UHFFFAOYSA-N,2,1,0.654,57,640,497.864,5.826,5,0.282,0.82,1.0,0.9760640120622301,0.9861644164210814,0.9737680762113632,0.9733225961208964,0.9773297752038927
EOS-2-44562,Fc1ccc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)cc1,WIDFZZLFOWCIRE-UHFFFAOYSA-N,2,1,0.654,57,640,497.864,5.826,5,0.282,0.77,1.0,0.9729370845041464,0.9852391885408813,0.9733568638201631,0.9742563909259132,0.9764473819477761
EOS-2-44563,FC(F)(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)cn1,OLHDXKBVGNPWSG-UHFFFAOYSA-N,2,1,0.568,27,490,497.868,4.937,5,0.328,0.68,1.0,0.8955434857103695,0.9419590843670756,0.9462511137002262,0.9012661914879035,0.9212549688163937
EOS-2-44564,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ncccc5C(F)F)nc4Cl)n23)c1F,GSGQCAXROFDUTQ-UHFFFAOYSA-N,2,1,0.434,27,606,497.868,5.261,5,0.295,0.63,0.99,0.8729953395928998,0.8859570968405182,0.8986961140429032,0.8676924131313823,0.8813352409019258
EOS-2-44565,Fc1ccc(C(F)F)nc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccn1,YYKOQPZIHDNSJS-UHFFFAOYSA-N,2,1,0.516,75,583,497.868,4.995,5,0.292,0.68,0.999,0.9302823658419573,0.9347371667466247,0.8927849359194023,0.8694400657939826,0.9068111335754917
EOS-2-44566,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)n1,RYSOAEKKAQEIBL-UHFFFAOYSA-N,2,1,0.479,44,531,497.868,4.644,5,0.315,0.64,1.0,0.9113494619971215,0.8666472483037488,0.8528373654992804,0.864454115550682,0.8738220478377081
EOS-2-44567,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)n1,HUDHCQGFLSEJHT-UHFFFAOYSA-N,2,1,0.484,44,531,497.868,4.644,5,0.315,0.58,1.0,0.906826125693921,0.8780840929340004,0.834949626482078,0.8544993489137139,0.8685897985059283
EOS-2-44568,COc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1c(C)oc(=O)n1C,AVDYFHFYMXFECJ-UHFFFAOYSA-N,2,1,0.412,16,458,497.874,3.229,5,0.325,0.62,1.0,0.5499623055308067,0.5214687135905696,0.27206839832773627,0.22379377698581318,0.39182329860873144
EOS-2-44569,Cn1cnnc1-c1cc(Cl)c(-c2nnc3cncc(-c4c(F)cc(-c5nnco5)cc4F)n23)s1,QNMPEEBZDCBEEX-UHFFFAOYSA-N,2,1,0.255,22,844,497.878,4.297,6,0.354,0.57,1.0,0.18898636145569186,0.37591666095538345,0.40545541772325405,0.5402474127887054,0.3776514632307587
EOS-2-44570,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(-c6cncc(Cl)n6)nc5)nn4)n23)cc1,NICBNLLXZWDAPP-UHFFFAOYSA-N,2,1,0.461,32,870,497.881,4.685,6,0.334,0.74,0.993,0.6883695428688917,0.6738571722294565,0.5917260640120622,0.6535021588650538,0.651863734493866
EOS-2-44571,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)c(F)c6)nc5)n34)nc2)c1,FZSAKAWYTIOTRF-UHFFFAOYSA-N,2,1,0.323,32,20,497.896,5.909,6,0.301,0.69,1.0,0.38464635734356795,0.6065040093208142,0.9327068055650743,0.9501319306421767,0.7184972757179082
EOS-2-44572,CS(=O)(=O)c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nn2)cn1,KBALYKDKDNNJOH-UHFFFAOYSA-N,2,1,0.402,13,251,497.899,3.632,5,0.357,0.67,0.924,0.48872592694126515,0.6252141731204167,0.38368686176410116,0.46930470838187927,0.4917329175519156
EOS-2-44573,Clc1cnc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)cc1-c1nnco1,SEFUHPKDROJDQD-UHFFFAOYSA-N,2,1,0.522,17,960,497.902,5.261,6,0.291,0.65,1.0,0.7808409293400042,0.6984356795284764,0.6464687135905696,0.6420910150092523,0.6919590843670755
EOS-2-44574,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cn5)n34)ccc2Cl)o1,BQYPBJXIZBQBEK-UHFFFAOYSA-N,2,1,0.5,40,868,497.906,4.234,6,0.329,0.64,1.0,0.5631211020492084,0.7582242478240011,0.4491638681378932,0.43168734151189087,0.5505491398807484
EOS-2-44575,Clc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1noc(-c2cnccn2)n1,GJHQHHBLFOKYTO-UHFFFAOYSA-N,2,1,0.57,80,277,497.906,3.968,6,0.319,0.73,1.0,0.6883781097937085,0.8240696319649099,0.32724796107189363,0.36511376876156537,0.5512023678980194
EOS-2-44576,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnc(Cl)cn6)cn5)n34)cc2)o1,YULWNCBAEQOSLN-UHFFFAOYSA-N,2,1,0.495,40,117,497.906,4.234,6,0.329,0.65,1.0,0.542063600849839,0.6065125762456308,0.3723099856075663,0.32948392844904395,0.46259252278802
EOS-2-44577,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccc(Cl)cn6)n5)n34)cc2)n1,QMNSGILFIZTCEB-UHFFFAOYSA-N,2,1,0.432,40,147,497.906,4.234,6,0.329,0.67,1.0,0.6545901583167706,0.6298574463710507,0.2468902062915496,0.2773027893907203,0.4521601500925228
EOS-2-44578,COc1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)ccc1-c1ccc(-c2nn[nH]n2)nc1,GBCKUNVNLGORMF-UHFFFAOYSA-N,2,1,0.443,77,209,497.906,4.488,6,0.353,0.71,1.0,0.5796638338701939,0.6252227400452334,0.591734630936879,0.5729045301898431,0.5923814337605373
EOS-2-44579,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)nc4)n23)c1,CHYZGAKLLHWZQF-UHFFFAOYSA-N,2,1,0.489,6,843,497.91,3.066,6,0.316,0.65,1.0,0.5394078541566719,0.5827479268041944,0.23985676101706532,0.2565708313343842,0.404645843328079
EOS-2-44580,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)cc1,NMVCERKYFIMNLE-UHFFFAOYSA-N,2,1,0.452,56,415,497.91,3.066,6,0.316,0.69,1.0,0.4547752038928106,0.5259834829689535,0.21155164142279487,0.2502056061956,0.36062898362003976
EOS-2-44581,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(Cl)n5)n4)n23)cc1,XAAWGCPDRQLHGT-UHFFFAOYSA-N,2,1,0.457,56,415,497.91,3.066,6,0.316,0.7,1.0,0.47635528750599687,0.47143787266122955,0.16147796586937152,0.20659995887876087,0.3289677712288397
EOS-2-44582,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccnc(Cl)n6)nc5)n34)nc2)n[nH]1,IPZBQIOGJIBDEG-UHFFFAOYSA-N,2,1,0.363,80,34,497.91,3.364,6,0.34,0.65,0.527,0.5915290247412789,0.5584778287985744,0.19393804399972586,0.1756133918168734,0.37988957233911314
EOS-2-44583,Cn1nnc(-c2cc(-c3nnc4cncc(OCc5cnc(-c6ccccn6)cn5)n34)ccc2Cl)n1,IXMRJDVJNMOPBU-UHFFFAOYSA-N,2,1,0.495,6,843,497.91,3.066,6,0.337,0.62,1.0,0.41993352066342265,0.6787231855253238,0.15817113289013776,0.197570420121993,0.3635995648002193
EOS-2-44584,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)nc1Cl,IJKFQNRZOIOVHJ-UHFFFAOYSA-N,2,1,0.471,56,621,497.91,3.066,6,0.337,0.67,1.0,0.5826451237063943,0.6016551298745803,0.1743454869440066,0.16742341169213898,0.38151728805428003
EOS-2-44585,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnccn5)n4)n23)c(Cl)c1,FVWVOTFPRDDVHW-UHFFFAOYSA-N,2,1,0.443,80,34,497.91,3.066,6,0.337,0.66,1.0,0.3545678843122473,0.4805188129668974,0.21156020834761155,0.23282331574258106,0.3198675553423343
EOS-2-44586,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)nn5)n34)c(Cl)c2)n1,DRKHTKQFJTZDHE-UHFFFAOYSA-N,2,1,0.402,71,197,497.91,3.066,6,0.337,0.6,1.0,0.4269926667123569,0.5629497635528751,0.25053971626345006,0.27414159413336986,0.378655935165513
EOS-2-44587,Cn1cnc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cc2Cl)n1,ODDUJNRGBJXBMR-UHFFFAOYSA-N,2,1,0.462,6,297,497.91,3.066,6,0.337,0.69,0.956,0.42452539236515663,0.5303868823247208,0.09081796998149544,0.1242546775409499,0.29249623055308066
EOS-2-44588,Cn1c(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nnc1-c1ccc(Cl)nc1,NGUZCDWKXABMNF-UHFFFAOYSA-N,2,1,0.396,80,34,497.91,3.066,6,0.316,0.66,1.0,0.46401034884517856,0.6016636967993969,0.07885854293742718,0.11269789596326503,0.3143076211363169
EOS-2-44589,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5nnn(Cc6ccccc6)n5)nc4)n23)nc1,BOZVEXNKHJZZCA-UHFFFAOYSA-N,2,1,0.433,6,843,497.91,2.91,6,0.324,0.67,1.0,0.4222380234391063,0.43665615790555823,0.06809848536769242,0.11014495236789802,0.25928440477006376
EOS-2-44590,Fc1ccc(-c2cccc(-c3ccc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)o3)n2)cc1,SQGPYCVOVWFBTA-UHFFFAOYSA-N,2,1,0.548,83,461,497.917,6.485,6,0.262,0.69,1.0,0.958193406894661,0.9665975601398122,0.9112980604482215,0.9224864642587897,0.9396438729353711
EOS-2-44591,Fc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3cccc(OCc4cccc(Cl)c4)c3)n12,CYMHCKVMHXHNBA-UHFFFAOYSA-N,2,1,0.387,83,30,497.917,6.485,6,0.262,0.78,1.0,0.7751096566376533,0.8047169488040573,0.9555376602014941,0.9566256596532109,0.8729974813241039
EOS-2-44592,Fc1cccc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1-c1ccnn1-c1ccccc1,ACTHWHXNEKOHPC-UHFFFAOYSA-N,2,1,0.394,57,177,497.921,5.411,6,0.306,0.63,1.0,0.4640189157699952,0.5167226372421355,0.7773798917140703,0.8220735384826263,0.6450487458022068
EOS-2-44593,Fc1ccc(-n2ccc(-c3ccc(-c4nnc5cncc(OCc6cncc(Cl)c6)n45)cc3)n2)cc1,FOHQZEUFLLBBBS-UHFFFAOYSA-N,2,1,0.54,77,177,497.921,5.411,6,0.306,0.73,1.0,0.6141628401069152,0.6112929202933315,0.8675810431087657,0.8766191487903502,0.7424139880748406
EOS-2-44594,Fc1cc(-c2cncc(-c3nnc4cncc(OCc5ccccc5-n5ccnc5)n34)c2)ccc1Cl,VPYUCRMXANPBJL-UHFFFAOYSA-N,2,1,0.458,41,137,497.921,5.411,6,0.306,0.69,1.0,0.547220889589473,0.5350558563498047,0.9102614625454047,0.9104499348913714,0.7257470358440135
EOS-2-44595,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)ccc1Cl,CZHAAFCDMMVDBK-UHFFFAOYSA-N,2,1,0.54,57,177,497.921,5.411,6,0.306,0.67,1.0,0.4525049688163937,0.7128538139949284,0.8703652936741827,0.8808854773490508,0.7291523884586388
EOS-2-44596,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cc2ccccc2nn1,AEGLYLDTWJIBSV-UHFFFAOYSA-N,2,1,0.49,57,660,497.921,5.211,6,0.312,0.67,1.0,0.9645243643341787,0.9580820368720444,0.8012730450277569,0.8457953532999795,0.8924186998834898
EOS-2-44597,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cc5Cl)n34)cc2F)nn1,XQKFLPRZEVEVDN-UHFFFAOYSA-N,2,1,0.333,3,642,497.925,4.812,6,0.344,0.72,1.0,0.2084332807895278,0.39010348845178533,0.6632770200808717,0.7024621341923103,0.49106898087862383
EOS-2-44598,Cc1ccc(F)cc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5cc(Cl)c(C)nn5)cc4)n23)n1,QSWAATREVIXEPA-UHFFFAOYSA-N,2,1,0.306,3,289,497.925,4.905,6,0.341,0.54,0.999,0.06601672263724213,0.27155438283873623,0.5460557878144061,0.6066239462682476,0.372562709889658
EOS-2-44599,Cc1c(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)c2)nnn1C,AHMODRFTGDQEGC-UHFFFAOYSA-N,2,1,0.318,3,598,497.925,4.812,6,0.344,0.78,0.999,0.16648104996230553,0.31798711534507573,0.5527722568706737,0.6187632787334658,0.4140009252278802
EOS-2-44600,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)ccc4Cl)n23)cc1,XVOJOLZUYFYERI-UHFFFAOYSA-N,2,1,0.536,67,755,497.95,4.22,6,0.339,0.68,1.0,0.757478925364951,0.7359930779247481,0.5120793639915016,0.4905249811527654,0.6240190871084915
EOS-2-44601,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnn(-c6ccc(Cl)cc6)n5)n34)cc2)n1,SDIJLIBSXYOTEZ-UHFFFAOYSA-N,2,1,0.505,67,889,497.95,4.047,6,0.328,0.57,1.0,0.5345418408608046,0.6394866698649853,0.3383335617846618,0.38411520800493454,0.4741193201288466
EOS-2-44602,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)c(-c5ccccc5)c4)n23)n(C)n1,XQVHTCRQQFAAQK-UHFFFAOYSA-N,2,1,0.384,67,622,497.95,4.916,6,0.322,0.58,0.983,0.4451802480981427,0.6738657391542732,0.2981375505448564,0.38735350558563497,0.45113426084572683
EOS-2-44603,Cn1ccc(-c2cccc(-c3nc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)n(C)n3)c2)n1,FEDLKVAYENITJQ-UHFFFAOYSA-N,2,1,0.506,67,755,497.95,4.22,6,0.339,0.68,1.0,0.6031029401685971,0.7838479199506545,0.2720769652525529,0.3230673017613597,0.49552378178329104
EOS-2-44604,Cn1nccc1-c1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c1,BIVXDKDCOUYEKN-UHFFFAOYSA-N,2,1,0.512,67,755,497.95,4.22,6,0.339,0.59,1.0,0.5447364813926393,0.6065211431704476,0.5624957165375917,0.5201836748680694,0.5584842539921869
EOS-2-44605,CCn1cnc(-c2cccnc2)c1COc1cncc2nnc(-c3cn[nH]c3-c3ccc(Cl)cc3)n12,HYRMTHTXAWRWOJ-UHFFFAOYSA-N,2,1,0.431,40,247,497.95,4.692,6,0.34,0.62,1.0,0.380157288739634,0.42741244602837364,0.3836954286889178,0.4442293194434926,0.40887362072510447
EOS-2-44606,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnn(C)c6)n5)n34)c(Cl)c2)cn1,ZVQNKWWNOGZHKW-UHFFFAOYSA-N,2,1,0.489,71,549,497.95,4.22,6,0.339,0.72,1.0,0.422246590363923,0.5629583304776917,0.572878829415393,0.5137499143307518,0.5179584161469399
EOS-2-44607,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1c(C)oc(=O)n1C,OIKJGJCPFLPANN-UHFFFAOYSA-N,2,1,0.49,15,458,497.964,4.403,5,0.328,0.6,1.0,0.5915375916660955,0.5442481666780893,0.3016157220204235,0.2502141731204167,0.4219039133712563
EOS-2-44608,Clc1cc(-c2cscn2)ncc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,KNGDJEADQOKMFU-UHFFFAOYSA-N,2,1,0.5,28,120,497.971,5.604,6,0.295,0.75,1.0,0.8007076279898567,0.762250702487835,0.684857103694058,0.6968422315125763,0.7361644164210815
EOS-2-44609,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cc5)n34)c2)cc1,MQISKOXAEVEEEW-UHFFFAOYSA-N,2,1,0.512,77,323,497.971,5.604,6,0.295,0.85,1.0,0.4935405386882325,0.5395277911041053,0.7472585840586663,0.787343225275855,0.6419175347817148
EOS-2-44610,Clc1ccsc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,FGPNUCDMEDCHQC-UHFFFAOYSA-N,2,1,0.566,40,25,497.971,5.604,6,0.295,0.66,1.0,0.712399766979645,0.7539750531149338,0.6371650332396683,0.6392467959701186,0.6856966623260915
EOS-2-44611,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cc5)n34)cc2)nn1,AYMQGXOTKUTJBD-UHFFFAOYSA-N,2,1,0.537,77,323,497.971,5.604,6,0.295,0.77,1.0,0.7637841820300185,0.7752124597354534,0.7268607360701802,0.7240422178054965,0.7474748989102872
EOS-2-44612,COc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)nn5)n34)cc2)cc1Cl,AYWHFSPLSZBMRF-UHFFFAOYSA-N,2,1,0.33,38,270,497.971,5.701,6,0.301,0.72,0.999,0.44301281611952575,0.5534576108560071,0.6134003837982318,0.6157905558220821,0.5564153416489617
EOS-2-44613,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(-c6ncccn6)s5)cn4)n23)cc1,PGBAYPYQBNVCQR-UHFFFAOYSA-N,2,1,0.552,28,414,497.971,5.604,6,0.295,0.74,1.0,0.7836251799054211,0.9231889520937564,0.5980570214515798,0.6245545199095333,0.7323564183400726
EOS-2-44614,Clc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cn1,IKLNAEWLKNKREJ-UHFFFAOYSA-N,2,1,0.494,41,78,497.971,5.604,6,0.276,0.66,1.0,0.7751182235624701,0.8163336988554588,0.6985727503255431,0.69966074977726,0.747421355630183
EOS-2-44615,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)nc1,KCEDKVNSXHDGHX-UHFFFAOYSA-N,2,1,0.483,12,285,497.971,5.604,6,0.295,0.8,1.0,0.6515831677061202,0.77522102666027,0.4308135151805908,0.5729130971146598,0.6076327016654102
EOS-2-44616,Clc1sc(-c2ccccn2)nc1COc1cncc2nnc(-c3cccc(-c4ccccn4)c3)n12,FFCOEJWNUWKAJH-UHFFFAOYSA-N,2,1,0.517,28,120,497.971,5.604,6,0.295,0.7,1.0,0.5214601466657529,0.577419299568227,0.372318552532383,0.44754471934754303,0.4796856795284765
EOS-2-44617,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccccc6)s5)n34)cc2)cn1,WXUFMLUPNBWFIE-UHFFFAOYSA-N,2,1,0.467,12,285,497.971,5.604,6,0.276,0.74,1.0,0.5857206497155781,0.7033016928243437,0.5047289424988006,0.5946131176752792,0.5970911006785005
EOS-2-44618,Clc1cnnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)cs5)n34)cc2)c1,NXRBBOBUBPBMJQ-UHFFFAOYSA-N,2,1,0.529,12,897,497.971,5.604,6,0.295,0.55,1.0,0.5420721677746556,0.7033102597491604,0.5494225892673565,0.6130063052566651,0.6019528305119595
EOS-2-44619,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(C)nc5-c5ccc(Cl)cc5)n34)s2)nn1,WEWCZZWLXDUVFS-UHFFFAOYSA-N,2,1,0.338,76,653,497.975,5.099,6,0.331,0.67,0.988,0.19175347817147556,0.3613700226166815,0.26472654375985194,0.34545267630731274,0.29082568021383043
EOS-2-44620,CN(C)Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cs1,OFHOXQPMWRJPSY-UHFFFAOYSA-N,2,1,0.464,58,954,498.037,4.708,5,0.307,0.65,1.0,0.417449112466589,0.5078387362072511,0.15210575011993696,0.13946953601535192,0.30421578370228225
EOS-2-44621,CCc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,NROKBOFVVTWIPH-UHFFFAOYSA-N,2,1,0.4,22,331,401.861,4.255,5,0.45,0.75,1.0,0.0660252895620588,0.34694332122541294,0.5592916866561579,0.630208690288534,0.4006172469330409
EOS-2-44622,Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)cn4)n23)nn1C,KLIUTCIWVIXJJP-UHFFFAOYSA-N,2,1,0.365,22,140,401.861,4.216,5,0.452,0.8,1.0,0.0445223082722226,0.17479953395928996,0.4737338085120965,0.582370982112261,0.3188566582139675
EOS-2-44623,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1,YRABPFHBEQRKPB-UHFFFAOYSA-N,2,1,0.704,1,603,401.857,4.814,5,0.424,0.82,1.0,0.9378555273798918,0.9268384620656569,0.8891696936467686,0.9023970255637036,0.9140651771640051
EOS-2-44624,Clc1ccccc1-c1nnc2cncc(OCc3ccc(-n4cccc4)cc3)n12,JGMZEHJQACHEFU-UHFFFAOYSA-N,2,1,0.57,1,603,401.857,4.814,5,0.424,0.84,1.0,0.5743095058597766,0.7265865944760469,0.8675896100335824,0.8878589541498184,0.7640861661298061
EOS-2-44625,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1,LISSGAWZGKKQQJ-UHFFFAOYSA-N,2,1,0.448,83,533,401.832,5.313,5,0.411,0.91,1.0,0.35015591803166335,0.7495716537591666,0.9403313686519087,0.967454252621479,0.7518782982660543
EOS-2-44626,Fc1cc(Cl)cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,ZKCRTXONMCOVPN-UHFFFAOYSA-N,2,1,0.397,30,558,401.832,5.313,5,0.411,0.82,1.0,0.2897333972997053,0.5032297306558837,0.9235830306353231,0.955332054005894,0.6679695531492016
EOS-2-44627,Fc1ccc(-c2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cc1,DCIVZNHCFGZXGH-UHFFFAOYSA-N,2,1,0.368,83,533,401.832,5.313,5,0.411,0.87,1.0,0.2732849016517031,0.4714464395860462,0.9390805976286752,0.9699386608183127,0.6634376499211843
EOS-2-44628,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccccc4Cl)n23)nc1,PUDJKJYQKYVSFR-UHFFFAOYSA-N,2,1,0.508,83,616,401.832,5.313,5,0.411,0.83,1.0,0.3004591871701734,0.539536358028922,0.9261274073058735,0.9619542868891783,0.6820193098485368
EOS-2-44629,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cccnc5)cc4)n23)ccc1Cl,XETVDKMCHYWADX-UHFFFAOYSA-N,2,1,0.394,83,558,401.832,5.313,5,0.411,0.84,1.0,0.4270012336371736,0.7219433212254129,0.9589044616544445,0.9742649578507299,0.7705284935919403
EOS-2-44630,Fc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,AKFANFSMXVVRGW-UHFFFAOYSA-N,2,1,0.429,83,558,401.832,5.313,5,0.411,0.79,1.0,0.41745767939140566,0.7033188266739772,0.9498063874991433,0.9733311630457131,0.7609785141525598
EOS-2-44631,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1Cl,MUKRJKOPFHJLBE-UHFFFAOYSA-N,2,1,0.41,83,558,401.832,5.313,5,0.411,0.91,1.0,0.3956976903570694,0.6394952367898019,0.9382753066959084,0.9613974367760949,0.7337164176547186
EOS-2-44632,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1,WDHBLXRZZMUSJR-UHFFFAOYSA-N,2,1,0.455,83,558,401.832,5.313,5,0.411,0.82,1.0,0.4245339592899733,0.740662051949832,0.9529247481324103,0.9742735247755465,0.7730985710369407
EOS-2-44633,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1,SHJZYGVTJDZEEP-UHFFFAOYSA-N,2,1,0.484,83,533,401.832,5.313,5,0.411,0.9,1.0,0.3801658556644507,0.7669625111370023,0.9443835240901925,0.9694589130285792,0.7652427009800562
EOS-2-44634,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4ccccc4)nc3)n12,LZBQBORUFKIAOK-UHFFFAOYSA-N,2,1,0.422,83,558,401.832,5.313,5,0.411,0.87,1.0,0.34785141525597973,0.6984442464532932,0.9261359742306902,0.9566342265780275,0.7322664656294977
EOS-2-44635,Fc1cc(Cl)cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,ARYYVGBNMJODQM-UHFFFAOYSA-N,2,1,0.412,83,558,401.832,5.313,5,0.411,0.81,1.0,0.32345281337810977,0.5350644232746213,0.9356452607771915,0.9590158316770612,0.6882945822767459
EOS-2-44636,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(Cl)cc4)n23)cc1,KHZKZAHHWTVARO-UHFFFAOYSA-N,2,1,0.415,83,533,401.832,5.313,5,0.411,0.83,1.0,0.3286186690425605,0.6065297100952642,0.9169350969775889,0.9578164622027278,0.7024749845795354
EOS-2-44637,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cccc(-c4cccnc4)c3)n12,HCGJOABSEMJENR-UHFFFAOYSA-N,2,1,0.391,83,558,401.832,5.313,5,0.411,0.82,1.0,0.3891868274964019,0.6689911589335892,0.9457199643615928,0.9694674799533959,0.743341357686245
EOS-2-44638,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccnc5Cl)n34)cc2)c1,DZNIITMSXCGPHA-UHFFFAOYSA-N,2,1,0.457,83,472,401.832,5.313,5,0.384,0.84,1.0,0.3615841957370982,0.5878024124460284,0.9403399355767253,0.9664347885682956,0.7140403330820368
EOS-2-44639,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnc5)nn4)n23)cc1,FOYAQDQKGZBDOP-UHFFFAOYSA-N,2,1,0.5,13,417,401.817,4.089,5,0.448,0.81,1.0,0.7836337468302378,0.9031166472483038,0.6134089507230485,0.6679545610307724,0.7420284764580906
EOS-2-44640,Clc1cncc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,FWSZVGWLWNXFTH-UHFFFAOYSA-N,2,1,0.371,2,529,401.817,4.089,5,0.448,0.82,1.0,0.6398893153313686,0.6984528133781098,0.637173600164485,0.6883781097937085,0.665973459666918
EOS-2-44641,Clc1cccc(Oc2cncc3nnc(-c4cncc(-c5ccncn5)c4)n23)c1,RVDLFHGTMQWFNA-UHFFFAOYSA-N,2,1,0.549,13,995,401.817,4.089,5,0.448,0.74,1.0,0.5770252210266603,0.6591905969433213,0.687641354259475,0.7350507161949147,0.6647269721060929
EOS-2-44642,Cc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4Cl)n23)cn1,HAIRBSAVLAELNU-UHFFFAOYSA-N,2,1,0.653,90,12,401.804,4.665,4,0.486,0.84,1.0,0.8988503186896032,0.8938986361455692,0.9643358919882119,0.9458227674593928,0.9257269035706942
EOS-2-44643,CC(F)(F)c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccn1,RATVNERSPKXIMG-UHFFFAOYSA-N,2,1,0.681,90,17,401.804,4.53,4,0.491,0.84,1.0,0.9831574258104311,0.9727057775340964,0.9743334932492632,0.9458313343842094,0.9690070077445
EOS-2-44644,FCc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1Cl,CFTAIVMCVACCOE-UHFFFAOYSA-N,2,1,0.636,90,281,401.804,4.07,4,0.456,0.79,1.0,0.952676307312727,0.9792252073195805,0.9031509149475704,0.9034764580906038,0.9346322219176204
EOS-2-44645,COc1nc(-c2nnc3cncc(OCc4cc(Br)c(F)cn4)n23)ccc1-c1cocn1,APQIHKPKMZRTII-UHFFFAOYSA-N,2,1,0.451,49,501,498.272,3.726,5,0.346,0.59,1.0,0.5294188198204373,0.5078473031320677,0.4491724350627099,0.3520149407168803,0.4596133746830237
EOS-2-44646,Cn1ncc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)c1-c1ccc(F)c(F)c1,JOZUDHAISFOHPB-UHFFFAOYSA-N,2,1,0.541,34,391,498.291,4.207,5,0.361,0.7,1.0,0.4430213830443424,0.5167312041669523,0.7564251936125008,0.7634500719621684,0.619906963196491
EOS-2-44647,FC(F)n1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Br)c4)n23)cc1,RBCTWCVTYXQHQN-UHFFFAOYSA-N,2,1,0.628,43,520,498.291,4.786,5,0.335,0.72,1.0,0.8846891919676513,0.8083921595504078,0.8744431498869166,0.8458039202247961,0.8533321054074429
EOS-2-44648,COc1nc(-c2nnc3cncc(OCc4nc(F)ccc4Cl)n23)ccc1-c1cncc(Cl)c1,GONGQZLLPAYLHE-UHFFFAOYSA-N,2,1,0.366,46,223,498.305,4.677,5,0.311,0.64,0.989,0.685319717634158,0.7082362415187444,0.7085703515865944,0.7294222465903639,0.7078871393324653
EOS-2-44649,COc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1F,SGWICNCKFPAXOG-UHFFFAOYSA-N,2,1,0.421,73,196,498.305,4.677,5,0.311,0.65,0.985,0.8808854773490508,0.8859656637653348,0.7191419368103625,0.7294308135151806,0.8038559728599821
EOS-2-44650,COc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4F)n23)c(Cl)c1,XCWHUHLXSRRNIH-UHFFFAOYSA-N,2,1,0.432,34,820,498.305,4.677,5,0.333,0.7,1.0,0.7836423137550544,0.8696285381399493,0.7991998492221233,0.8030806661640737,0.8138878418203002
EOS-2-44651,Fc1cc(COc2nncnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,IMHXBWYVVACFEM-UHFFFAOYSA-N,2,1,0.747,34,96,498.305,4.58,5,0.322,0.69,1.0,0.955126447810294,0.9694846138030293,0.7748526488931533,0.8360890274826948,0.8838881844972928
EOS-2-44652,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1ccc(Cl)cn1,OSZNNTYUWQBVNI-UHFFFAOYSA-N,2,1,0.404,49,162,498.305,4.677,5,0.333,0.67,0.905,0.6575800150777876,0.6640480433143718,0.6658385306010555,0.6856366938523748,0.6682758207113975
EOS-2-44653,COc1cc(-c2nnc3cncc(OCc4ccc(-c5c(F)cncc5Cl)nn4)n23)ccc1Cl,BJSFJEXPIJXWPO-UHFFFAOYSA-N,2,1,0.5,4,67,498.305,4.677,5,0.333,0.72,1.0,0.8113049139880748,0.8939072030703858,0.8170618874648756,0.8260999931464601,0.837093499417449
EOS-2-44654,O=c1ccc(-c2cc(F)c(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2Cl)n[nH]1,VHAUZYPALHZZNV-UHFFFAOYSA-N,2,1,0.505,88,669,498.305,4.004,5,0.352,0.6,1.0,0.7693355493112193,0.7452453567267494,0.8070300185045576,0.8493934617229799,0.7927510965663765
EOS-2-44655,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)ccc1Cl,BATGYTHEXLAQHS-UHFFFAOYSA-N,2,1,0.731,88,485,498.32,6.06,5,0.285,0.77,1.0,0.9843310945103145,0.9832602289082311,0.978154341717497,0.985222054691248,0.9827419299568227
EOS-2-44656,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)cn2)cc1Cl,SNFHDWWVILFYIW-UHFFFAOYSA-N,2,1,0.583,88,732,498.32,6.06,5,0.285,0.83,1.0,0.970212802412446,0.9784284833116305,0.9761411143855802,0.9844595983825646,0.9773104996230553
EOS-2-44657,Fc1ccc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cc1F,CLVSGOPHZPGRNM-UHFFFAOYSA-N,2,1,0.535,88,80,498.32,6.06,5,0.285,0.68,1.0,0.9558632033445275,0.9542868891782605,0.9690734014118292,0.9815554108697142,0.9651947262010829
EOS-2-44658,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2Cl)cc1F,GNQFQUXVYVQZJT-UHFFFAOYSA-N,2,1,0.634,88,485,498.32,6.06,5,0.267,0.75,1.0,0.9929665547255158,0.9947827427866494,0.9792851757932972,0.987081077376465,0.9885288876704819
EOS-2-44659,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)ccc1-c1noc(C)n1,CPIDDVLJBVZRSQ-UHFFFAOYSA-N,2,1,0.474,49,896,498.33,4.482,5,0.32,0.68,1.0,0.5915461585909122,0.5675073675553424,0.35355698718388046,0.38115105201836746,0.4734403913371256
EOS-2-44660,OCCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5nc(Cl)ccc5Cl)n34)cn2)n1,NPKRUJUKZBPSBC-UHFFFAOYSA-N,2,1,0.434,58,510,498.334,2.76,5,0.321,0.66,0.999,0.563129668974025,0.5720992392570763,0.12774998286615036,0.22697210609279692,0.37248774929751216
EOS-2-44661,CCn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(OC)c4)n23)c(Cl)nn1,JRDWXHPDLONXAU-UHFFFAOYSA-N,2,1,0.454,36,908,498.334,3.754,5,0.331,0.67,0.999,0.5972945651428964,0.6886265506133918,0.2685730930025358,0.32622849701871015,0.47018067644438355
EOS-2-44662,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccc(Cl)nc6)n5)n34)cc2)cn1,WVVAXIYCJNKQCH-UHFFFAOYSA-N,2,1,0.338,9,186,498.337,5.074,6,0.31,0.72,0.999,0.20279624426016038,0.394729627852786,0.6876499211842917,0.7966383387019396,0.5204535329997944
EOS-2-44663,Fc1ccc(Br)c(CCOc2cncc3nnc(-c4nccc(-c5cncs5)n4)n23)c1,MYFMXWSOYHLKFV-UHFFFAOYSA-N,2,1,0.511,84,672,498.341,4.228,5,0.346,0.59,1.0,0.6226098279761497,0.587810979370845,0.41609553834555546,0.4631450894386951,0.5224153587828113
EOS-2-44664,CCn1cc(-c2ncc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2Cl)c(C)n1,HFURHDDKEZRROB-UHFFFAOYSA-N,2,1,0.583,59,294,498.349,5.403,5,0.312,0.81,1.0,0.4836543074497978,0.5878195462956617,0.726869302994997,0.7685730930025358,0.6417290624357481
EOS-2-44665,FCCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c(Cl)c1,WVKYXHOCOYUJFL-UHFFFAOYSA-N,2,1,0.628,91,520,498.349,4.948,5,0.301,0.76,1.0,0.7606401206223015,0.8200860119251594,0.6195257350421493,0.7531526283325337,0.7383511239805359
EOS-2-44666,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nn2C)ccc1Cl,MSJNLOMPZSQATR-UHFFFAOYSA-N,2,1,0.443,95,998,498.349,4.963,5,0.308,0.69,1.0,0.45695120279624424,0.5032382975807004,0.7819717634158042,0.8141576999520252,0.6390797409361935
EOS-2-44667,COc1cc(-c2nnc3cncc(OCc4nc(Br)cs4)n23)ccc1-c1cnn(C)c1,RTDJCNCMZHZEQA-UHFFFAOYSA-N,2,1,0.495,4,83,498.366,3.998,5,0.35,0.66,1.0,0.37772428209170034,0.5395449249537386,0.3272565279967103,0.21821670893016243,0.36568561099307795
EOS-2-44668,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccnc6ccccc56)c4)n23)cc1Cl,YGGCVWCYKAECQK-UHFFFAOYSA-N,2,1,0.539,79,994,498.373,6.892,6,0.259,0.8,1.0,0.9454715235419094,0.9633763964087451,0.9550065108628607,0.9713350695634295,0.9587973750942362
EOS-2-44669,Cn1cncc1-c1cc(Cl)cc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)c1,LDUMICLXWIGARM-UHFFFAOYSA-N,2,1,0.338,69,38,498.377,6.228,6,0.27,0.78,1.0,0.21646048934274553,0.29761496813103966,0.9206360084983894,0.9384552121170585,0.5932916695223083
EOS-2-44670,O=[N+]([O-])c1cc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)cc5)n4)n23)ccc1OC(F)F,KZTJWZXKXYMHRR-UHFFFAOYSA-N,2,1,0.505,34,612,498.381,3.6,5,0.232,0.69,1.0,0.5687838393530258,0.5584863957233911,0.6433674868069358,0.4693132753066959,0.559987749297512
EOS-2-44671,O=c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cc2F)n[nH]1,DZNOSMPKKCUQLW-UHFFFAOYSA-N,2,1,0.596,1,640,498.396,4.158,5,0.351,0.76,1.0,0.9764666575286135,0.9445462956617092,0.9815297100952642,0.9590243986018778,0.9653917654718662
EOS-2-44672,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnc(C(F)(F)F)cc5F)nn4)n23)c1,JQGIOPVKXQIUKT-UHFFFAOYSA-N,2,1,0.452,27,52,498.4,3.784,5,0.323,0.64,1.0,0.6912822973065589,0.827779110410527,0.9020629154958536,0.7556113357549175,0.7941839147419643
EOS-2-44673,Fc1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5F)n34)cc2)cc1,OOSFEPBVEVLLQC-UHFFFAOYSA-N,2,1,0.605,79,590,498.411,6.46,5,0.252,0.84,1.0,0.9843396614351313,0.9867641011582482,0.9983722842848332,0.9975669933520663,0.9917607600575697
EOS-2-44674,Fc1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccc(OC(F)(F)F)cc4)n23)cc1F,WCSJWWRVSPPMQR-UHFFFAOYSA-N,2,1,0.581,79,640,498.411,6.214,5,0.261,0.78,1.0,0.9958964430128161,0.9933520663422658,0.9978582687958331,0.997575560276883,0.9961705846069495
EOS-2-44675,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)cc2)cc1F,OWNBSVQYJYQSKZ-UHFFFAOYSA-N,2,1,0.581,57,853,498.411,6.214,5,0.261,0.69,1.0,0.9928209170036324,0.9891628401069152,0.9975412925776164,0.9969416078404496,0.9941166643821534
EOS-2-44676,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCc5cccc(F)c5C(F)(F)F)n34)cc2)cc1,PSBKVVBFGYUKGC-UHFFFAOYSA-N,2,1,0.63,79,590,498.411,6.46,5,0.252,0.82,1.0,0.9947313412377493,0.9898139263929819,0.997267150983483,0.9956480021931328,0.9943651052018367
EOS-2-44677,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)ccc2F)cc1,NQAVLMLPDBMJIS-UHFFFAOYSA-N,2,1,0.701,57,640,498.411,6.214,5,0.261,0.77,1.0,0.9968473716674663,0.9936519087108492,0.9982009457884997,0.9979525049688164,0.9966631827839079
EOS-2-44678,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)c2)c(F)c1,SLXIIYNLULIWGS-UHFFFAOYSA-N,2,1,0.65,57,640,498.411,6.214,5,0.261,0.8,1.0,0.9925125077102324,0.992443972311699,0.9979096703447331,0.9975841272016996,0.995112569392091
EOS-2-44679,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(OC(F)(F)F)cc5)ccc4F)n23)cc1,UUARWZGLCWANLY-UHFFFAOYSA-N,2,1,0.625,57,640,498.411,6.214,5,0.261,0.77,1.0,0.9961363169076828,0.9940374203275992,0.9982095127133165,0.9980724419162498,0.9966139229662121
EOS-2-44680,Fc1ccc(F)c(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)c2)c1,YZSTVZGDTNUGNM-UHFFFAOYSA-N,2,1,0.634,57,640,498.411,6.214,5,0.261,0.74,1.0,0.9926410115824823,0.9919642245219656,0.997961071893633,0.997626961825783,0.995048317455966
EOS-2-44681,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5cccc(F)c5F)c(F)c4)n23)cc1F,BYLOCMFPOWCIDB-UHFFFAOYSA-N,2,1,0.718,88,485,498.411,5.901,5,0.262,0.73,1.0,0.9921612637927489,0.9921612637927489,0.9920498937701323,0.9919128229730656,0.992071311082174
EOS-2-44682,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(C(F)(F)F)c(F)c5)nc4)n23)c1,YXIMXKJYMDXKBD-UHFFFAOYSA-N,2,1,0.548,84,429,498.415,5.167,5,0.301,0.73,1.0,0.9738794462339798,0.9738965800836132,0.989968131039682,0.9786683572064971,0.9791031286409431
EOS-2-44683,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(C(F)(F)F)nc5)nc4)n23)c1F,FMNPCZSFSOIYQZ-UHFFFAOYSA-N,2,1,0.674,84,732,498.415,5.167,5,0.301,0.79,1.0,0.9760725789870468,0.9787968610787472,0.9875094236172983,0.9684051812761291,0.9776960112398053
EOS-2-44684,Cn1cncc1-c1cc(-c2nnc3cncc(OCCCOc4c(F)ccc(F)c4F)n23)ccc1F,DMUNASJDGBCLPB-UHFFFAOYSA-N,2,1,0.442,88,125,498.44,4.596,5,0.177,0.68,1.0,0.7606486875471181,0.7495802206839832,0.9206445754232061,0.8946696593790693,0.8313857857583442
EOS-2-44685,Fc1cccc(F)c1Oc1cccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,UAOQVZFDFUISGU-UHFFFAOYSA-N,2,1,0.522,77,994,498.449,5.491,6,0.285,0.65,1.0,0.9211757247618395,0.8752570077445,0.892793502844219,0.8494020286477966,0.8846570659995887
EOS-2-44686,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccc(Oc6ccccn6)cc5)n34)n2)c(F)c1,VXOVJYYEQOUTSE-UHFFFAOYSA-N,2,1,0.505,57,881,498.453,4.417,6,0.319,0.69,1.0,0.43135323144404086,0.4940288534027825,0.6404461654444521,0.6187718456582825,0.5461500239873895
EOS-2-44687,O=c1[nH]nc(-c2ccn(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1OC(F)F,MIRHHHUGOVVYSZ-UHFFFAOYSA-N,2,1,0.455,93,689,498.453,3.996,6,0.369,0.6,0.246,0.3637173600164485,0.42742101295319035,0.7137276403262285,0.7323264341032143,0.5592981118497704
EOS-2-44688,Cn1nncc1-c1cccc(Oc2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)c1,AFBKFQHHQJUVBW-UHFFFAOYSA-N,2,1,0.438,13,145,498.453,4.845,6,0.321,0.72,1.0,0.42225515728873964,0.48052737989171407,0.77486121581797,0.7267836337468302,0.6011068466863134
EOS-2-44689,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(-c6nnco6)c5)n34)nc2)cn1,QZZBPZGADFDUJX-UHFFFAOYSA-N,2,1,0.484,19,384,498.453,4.198,6,0.299,0.67,1.0,0.7574874922897676,0.5878281132204783,0.7010742923720101,0.6708844493180728,0.6793185868000822
EOS-2-44690,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccn6)nc5)n34)nn2)cn1,MGXSORFGFDFOOV-UHFFFAOYSA-N,2,1,0.426,6,826,498.457,3.876,6,0.323,0.69,0.999,0.4174662463162223,0.3368600507161949,0.5324086765814543,0.4475532862723597,0.43357206497155776
EOS-2-44691,Cn1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccc(OC(F)F)cc6)cc5)n34)n2)nn1,LLYAHODKFBNIII-UHFFFAOYSA-N,2,1,0.434,98,186,498.457,3.707,6,0.338,0.75,0.935,0.18329792337742443,0.3851689397573847,0.5693835240901925,0.5975430059625797,0.43384834829689534
EOS-2-44692,FC(F)n1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)cc5)n34)cc2)n1,ZAGLIECQPBXXPU-UHFFFAOYSA-N,2,1,0.548,56,190,498.457,3.876,6,0.323,0.69,1.0,0.577033787951477,0.4366647248303749,0.5358440134329381,0.4693218422315126,0.5047160921115756
EOS-2-44693,Fc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)c(F)cc1-c1ccc(-c2nn[nH]n2)nc1,XQXRQOZUAUPTGE-UHFFFAOYSA-N,2,1,0.515,11,275,498.457,3.328,6,0.352,0.65,1.0,0.6942121855938592,0.6493986018778699,0.4978154341717497,0.5067678706051676,0.5870485230621616
EOS-2-44694,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5-c5nn[nH]n5)cn4)n23)cn1,UBRVCYXBUUYOOE-UHFFFAOYSA-N,2,1,0.479,40,25,498.457,3.945,6,0.347,0.72,1.0,0.582653690631211,0.5442567336029059,0.6464772805153862,0.5759029538756768,0.587322664656295
EOS-2-44695,Cc1ncc(-c2ncc(Oc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)n1C(F)F,BHRAPPRXECEVDG-UHFFFAOYSA-N,2,1,0.375,80,34,498.457,4.398,6,0.329,0.67,1.0,0.7065656911794942,0.5774278664930437,0.5120879309163183,0.42216948804057297,0.5545627441573573
EOS-2-44696,FC(F)c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cn1,AEJGMLQMHMRKNB-UHFFFAOYSA-N,2,1,0.458,56,425,498.457,3.945,6,0.347,0.71,1.0,0.5915547255157289,0.5167397710917689,0.6339610033582346,0.509954766636968,0.563052566650675
EOS-2-44697,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)nc5)n34)n2)n1,WFYNNNXZRHUVEG-UHFFFAOYSA-N,2,1,0.454,81,218,498.457,3.296,6,0.34,0.64,1.0,0.5242700980056199,0.5120450962922349,0.39843053937358647,0.4221780549653896,0.46423094715920776
EOS-2-44698,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)c(F)c5F)n34)nn2)cn1,ZRTDSFPCFZAGRN-UHFFFAOYSA-N,2,1,0.408,71,549,498.457,3.296,6,0.34,0.7,1.0,0.44518881502295937,0.5167483380165856,0.4491810019875266,0.4377527242820917,0.4622177198272908
EOS-2-44699,FC(F)n1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cnccn6)c5)n34)cc2)n1,QYBBDUWOXTUDPN-UHFFFAOYSA-N,2,1,0.467,40,2,498.457,3.876,6,0.323,0.56,1.0,0.5796724007950106,0.4805359468165307,0.5191984785141526,0.41571859365362207,0.498781354944829
EOS-2-44700,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccc(F)cn6)c(F)c5)n34)cc2)n1,WPKMUSNRPBMGCW-UHFFFAOYSA-N,2,1,0.506,56,415,498.457,3.296,6,0.34,0.66,1.0,0.7124083339044617,0.5214772805153862,0.43082208210540746,0.4221866218902063,0.5217235796038654
EOS-2-44701,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnn(-c6cccnc6)n5)cn4)n23)cc1,GNAMENMSGDRMPS-UHFFFAOYSA-N,2,1,0.433,6,518,498.457,3.741,6,0.324,0.65,1.0,0.5062024535672675,0.47145500651086286,0.5562075937221574,0.4905335480775821,0.5060996504694675
EOS-2-44702,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncc4F)n23)cc1,VBORYRMKEAXJDZ-UHFFFAOYSA-N,2,1,0.489,56,415,498.457,3.296,6,0.34,0.64,1.0,0.7606572544719348,0.5534661777808237,0.434702899047358,0.4093790692892879,0.5395513501473511
EOS-2-44703,Fc1ccc(-c2cc(-c3ccc(-c4nnc5cncc(OCc6ccc(F)c(F)c6)n45)cc3)[nH]n2)cc1,LQDSVXJKNCHTEE-UHFFFAOYSA-N,2,1,0.727,83,23,498.468,5.845,6,0.312,0.76,1.0,0.9778802001233637,0.9599924611061613,0.9704184086080461,0.9694760468782126,0.9694417791789459
EOS-2-44704,FC(F)(F)c1ccccc1COc1cncc2nnc(-c3ccc(-c4cc5ccccc5nn4)cc3)n12,WQEBKOQBJBJICB-UHFFFAOYSA-N,2,1,0.489,12,897,498.468,5.999,6,0.29,0.57,1.0,0.9211842916866562,0.8963659104927695,0.9801847028990474,0.9619628538139949,0.9399244397231169
EOS-2-44705,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nnc(-c7ccon7)nn6)n5)n34)cc2)cc1,XMNJVTKUKJENAO-UHFFFAOYSA-N,2,1,0.338,93,465,498.47,3.212,7,0.341,0.52,0.997,0.15841100678500444,0.1092711260365979,0.058109451031457746,0.13042286340895073,0.11405361181550272
EOS-2-44706,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5C(F)(F)F)cn4)n23)cn1,LPEFSQYSOBCAKV-UHFFFAOYSA-N,2,1,0.309,32,179,498.472,5.335,6,0.326,0.71,0.995,0.23305462271263108,0.28191179494208757,0.9343345212802412,0.8836440271400178,0.5832362415187444
EOS-2-44707,COc1cc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCc3nnnn3-c3ccc(F)cc3)n12,LJHWBVSWCVKEIE-UHFFFAOYSA-N,2,1,0.404,71,807,498.482,2.894,6,0.327,0.76,1.0,0.31614522650949217,0.4138767048180385,0.30162428894524024,0.2684874237543691,0.325033411006785
EOS-2-44708,FCCCn1nc(-c2ccccn2)nc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,NELGMUKYYGBLTK-UHFFFAOYSA-N,2,1,0.417,56,415,498.486,2.563,6,0.315,0.64,1.0,0.3335617846617778,0.2871975875539716,0.011154136111301487,0.017853471317935715,0.16244174491124663
EOS-2-44709,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc([N+](=O)[O-])c6)n5)n34)s2)cn1,MIPIKHVSCUBPQA-UHFFFAOYSA-N,2,1,0.27,10,952,498.488,3.474,6,0.246,0.6,0.991,0.16921389897882255,0.014143992872318552,0.07463504900280996,0.02432149955451991,0.07057861010211774
EOS-2-44710,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnn(C(F)F)c6)cc5)n34)cc2)cn1,LIELYSZWMKRHFW-UHFFFAOYSA-N,2,1,0.577,77,190,498.497,5.029,6,0.307,0.66,1.0,0.6115499280378316,0.567515934480159,0.8915512987458022,0.8030892330888905,0.7184265985881708
EOS-2-44711,CCn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6nc(C)nn6C)cc5F)n34)cn2)cn1,NIFILXNUONSXGR-UHFFFAOYSA-N,2,1,0.326,98,314,498.501,4.119,6,0.352,0.59,1.0,0.21123466520457818,0.2611541361113015,0.3609416763758481,0.35202350764169693,0.2963384963333562
EOS-2-44712,O=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccccn6)n5)n34)c(F)c2)s1,BUFHNRHFHSBDPM-UHFFFAOYSA-N,2,1,0.5,28,218,498.503,3.778,6,0.368,0.45,0.999,0.5294273867452539,0.5120536632170516,0.3609502433006648,0.3520320745665136,0.43861584195737097
EOS-2-44713,Oc1cc(-c2nnc3cncc(OCc4nc(-c5ccccn5)ns4)n23)ccc1-c1ccc(F)nc1,OQKSCRMQHWLFBH-UHFFFAOYSA-N,2,1,0.469,40,25,498.503,4.191,6,0.337,0.54,1.0,0.49354910561304915,0.6395038037146186,0.3310945103145775,0.3486909738880132,0.4532095983825646
EOS-2-44714,Cc1nnc(-c2ccccc2-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cc2)o1,HISQVGYWXLQWHO-UHFFFAOYSA-N,2,1,0.333,21,810,498.506,5.534,7,0.301,0.7,1.0,0.15567815776848742,0.13952950448906862,0.33110307723939414,0.37154752929888285,0.24946456719895826
EOS-2-44715,c1cc(COc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4)n23)cc(-c2nnco2)c1,SCWPOUIKCPVBFD-UHFFFAOYSA-N,2,1,0.463,12,897,498.506,5.031,7,0.311,0.52,1.0,0.6171098622438489,0.5395534918785553,0.5980655883763965,0.5759115208004935,0.5826601158248236
EOS-2-44716,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnc(F)cn6)cn5)n34)cc2)s1,YYJWQLDGCFWQDP-UHFFFAOYSA-N,2,1,0.452,71,355,498.507,3.583,6,0.336,0.71,1.0,0.5601226783633747,0.5675245014049757,0.18390617503940784,0.16230039065177165,0.3684634363648825
EOS-2-44717,Cn1cc(-c2cccc(-c3oncc3-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)nn1,MCNMCZIJAYWGBY-UHFFFAOYSA-N,2,1,0.284,32,479,498.51,4.366,7,0.34,0.59,1.0,0.045833047769172776,0.057638270166541015,0.29076142827770546,0.307741073264341,0.17549345486944007
EOS-2-44718,COc1cccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc6ccccn56)n4)n23)cn1,MNFBPYYQDQGIGZ-UHFFFAOYSA-N,2,1,0.304,32,368,498.51,4.029,7,0.346,0.63,1.0,0.23033890754574737,0.10581008841066411,0.2115687752724282,0.22102666027002946,0.1921861078747173
EOS-2-44719,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(Cc6cccc(-c7ccco7)n6)n5)n34)nc2)cc1,CNVBKZSJKWVMDW-UHFFFAOYSA-N,2,1,0.259,30,301,498.51,4.21,7,0.331,0.69,0.625,0.047246590363922966,0.02037214721403605,0.1167757521759989,0.19757898704680968,0.0954933692001919
EOS-2-44720,Cn1cc(-c2nnc3cncc(-c4ccnc(-c5nnon5)c4)n23)c(-c2cccc(-c3ccccc3)c2)n1,NTRRFNBXJXJVIL-UHFFFAOYSA-N,2,1,0.277,30,220,498.51,4.366,7,0.34,0.59,1.0,0.09896511548214652,0.015497566993352066,0.29814611746967307,0.3683434994174491,0.1952380748406552
EOS-2-44721,CCn1nc(C)nc1-c1nc(COc2cncc3nnc(-c4ccc(-c5nnn(C)n5)cc4)n23)n(C)n1,LBHAYMHVUDGPCH-UHFFFAOYSA-N,2,1,0.402,36,614,498.515,1.276,6,0.312,0.57,1.0,0.27575217599890345,0.17018196148310602,0.0011651017750668221,0.00011993694743334933,0.11180479405112742
EOS-2-44722,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(-c6ccccc6)s5)n4)n23)cc1F,JBNWCNLWDAZDQE-UHFFFAOYSA-N,2,1,0.516,12,897,498.518,5.834,6,0.287,0.69,1.0,0.7574960592145843,0.8666558152285656,0.779812898362004,0.7806867246933041,0.7961628743746145
EOS-2-44723,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cs2)cc1F,XTSCNPIEMJKSQM-UHFFFAOYSA-N,2,1,0.576,12,427,498.518,5.834,6,0.287,0.81,1.0,0.7606658213967514,0.8163422657802755,0.822493317798643,0.8163251319306422,0.803956634226578
EOS-2-44724,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)cs2)cc1,SDDFPLLPCPMSSP-UHFFFAOYSA-N,2,1,0.529,12,427,498.518,5.834,6,0.269,0.64,1.0,0.754797477897334,0.8417603317113289,0.7992084161469399,0.8030978000137071,0.7997160064423274
EOS-2-44725,FC(F)Oc1cc(-c2ccsc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,IVDDJHAZVIXULT-UHFFFAOYSA-N,2,1,0.337,41,174,498.518,6.245,6,0.27,0.72,0.998,0.4222637242135563,0.5214858474402029,0.9318929477074909,0.9135939962990884,0.6973091289150846
EOS-2-44726,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5ncc(F)c(C)n5)cn4)n23)s1,CMRMMWBZQHQFFW-UHFFFAOYSA-N,2,1,0.326,32,693,498.522,5.329,6,0.324,0.7,1.0,0.19440065793982592,0.33686861764101156,0.3682920978685491,0.42850901240490713,0.33201759646357343
EOS-2-44727,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cc(C)cc(C#N)c5)n34)cc2)cc1,WIPMVTQREAISHN-UHFFFAOYSA-N,2,1,0.384,62,472,401.473,5.614,5,0.394,0.79,1.0,0.28150058255088756,0.2925433486395723,0.9390891645534919,0.9307792474813241,0.610978085806319
EOS-2-44728,CS(=O)(=O)c1ccc(COc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cc4)n23)nc1,WMOSWVGKKYNMKF-UHFFFAOYSA-N,2,1,0.565,77,755,498.528,2.879,6,0.34,0.76,1.0,0.417474813241039,0.3566924816667809,0.2289767664998972,0.2328318826673977,0.3089939860187787
EOS-2-44729,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccc(C)c(F)c5)cc4)n23)s1,SKRHGHYUXQYFEA-UHFFFAOYSA-N,2,1,0.342,96,558,401.47,5.338,5,0.41,0.82,1.0,0.17172400795010623,0.35670104859159757,0.781980330340621,0.7988314714550065,0.5273092145843328
EOS-2-44730,COc1cccnc1-c1ccc(-c2nnc3cncc(OCc4scnc4-c4ncnn4C)n23)cn1,FQTSZMKMVQGGDY-UHFFFAOYSA-N,2,1,0.39,6,843,498.532,3.088,6,0.323,0.6,1.0,0.289741964224522,0.23559043245836475,0.04081282982660544,0.027037214721403604,0.14829561030772392
EOS-2-44731,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cs1,VAKVFPKDMIJUST-UHFFFAOYSA-N,2,1,0.476,4,119,401.455,3.592,5,0.444,0.74,1.0,0.3234613803029265,0.322801727092043,0.21461860050716194,0.1895689123432253,0.2626126550613392
EOS-2-44732,Cc1ncc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)cn1,KUKHBXCKYQKUGG-UHFFFAOYSA-N,2,1,0.477,4,700,401.455,3.592,5,0.444,0.73,1.0,0.3868994585703516,0.38517750668220135,0.15211431704475362,0.13278733465835105,0.2642446542389144
EOS-2-44733,c1cc(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)ccn1,FJWMAEOEROMMQC-UHFFFAOYSA-N,2,1,0.558,35,393,401.455,3.326,5,0.431,0.85,1.0,0.4935576725378658,0.3997241450209033,0.27208553217736964,0.24732711945719965,0.35317361729833463
EOS-2-44734,c1csc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)c1,JBILRHVQTRMCLQ-UHFFFAOYSA-N,2,1,0.641,75,324,401.455,3.326,5,0.431,0.89,1.0,0.6171184291686657,0.535072990199438,0.22898533342471386,0.21556096223699542,0.3991844287574532
EOS-2-44735,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cn2)ccn1,SURZAZKGNNRVPJ-UHFFFAOYSA-N,2,1,0.537,55,879,401.455,3.592,5,0.444,0.78,1.0,0.49356623946268247,0.4320557192790076,0.32726509492152694,0.2565793982592009,0.3773666129806045
EOS-2-44736,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccsc5)n4)n23)cn1,JPOXLKKJKOIMLM-UHFFFAOYSA-N,2,1,0.46,7,85,401.455,3.592,5,0.444,0.74,1.0,0.45011479679254335,0.427429579878007,0.2797272291138373,0.23284044959221437,0.3475280138441505
EOS-2-44737,c1cncc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)nc2)c1,UVAMDHJCKIUDBB-UHFFFAOYSA-N,2,1,0.575,87,529,401.455,3.326,5,0.431,0.77,1.0,0.4811870331025975,0.42743814680282366,0.15817969981495442,0.17855184702899046,0.3113391816873415
EOS-2-44738,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)cn2)ncn1,FANAOERUSRVSEJ-UHFFFAOYSA-N,2,1,0.506,55,283,401.455,3.592,5,0.444,0.71,1.0,0.5214687135905696,0.4496179151531766,0.32727366184634366,0.25337536837776714,0.38793391474196426
EOS-2-44739,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccsc5)n34)c2)cn1,SKUOBXKFJLVERC-UHFFFAOYSA-N,2,1,0.494,2,858,401.455,3.592,5,0.444,0.74,1.0,0.4664176547186622,0.3806713042286341,0.34981324103899664,0.2802069769035707,0.3692772942224659
EOS-2-44740,Cc1cncc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)n1,NWFOHMAPAUXLQY-UHFFFAOYSA-N,2,1,0.524,16,256,401.455,3.592,5,0.444,0.65,1.0,0.4359365362209581,0.36620176821328215,0.26473511068466865,0.23284901651703105,0.324930607908985
EOS-2-44741,c1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)nn2)c1,PAOKOIJORPQDRB-UHFFFAOYSA-N,2,1,0.457,54,411,401.455,3.326,5,0.431,0.76,1.0,0.5472294565142897,0.41388527174285517,0.2115773421972449,0.2269806730176136,0.34991818586800083
EOS-2-44742,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cn2)cn1,KQDDYQBCELKIIJ-UHFFFAOYSA-N,2,1,0.57,55,879,401.455,3.592,5,0.444,0.84,1.0,0.5011651017750668,0.44069974641902543,0.3236070180248098,0.2533839353025838,0.3797139503803714
EOS-2-44743,c1csc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)c1,LDJCBXFMDKFYMY-UHFFFAOYSA-N,2,1,0.617,75,454,401.455,3.326,5,0.431,0.8,0.999,0.6515917346309369,0.5350815571242546,0.287266122952505,0.26560037009115206,0.4348849461997121
EOS-2-44744,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-n6nccc6C)n5)n34)cc2)cs1,YDSICKZGWPEQIH-UHFFFAOYSA-N,2,1,0.473,81,932,498.547,4.83,6,0.325,0.65,1.0,0.3383849633335618,0.4540213145089439,0.320043177301076,0.2624734425330683,0.3437307244191625
EOS-2-44745,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nc(C)c(F)s4)cc3)n12,FPHQSPAUXTUKNM-UHFFFAOYSA-N,2,1,0.345,9,642,498.547,4.833,6,0.336,0.7,1.0,0.3161537934343088,0.29255191556438903,0.4054639846480707,0.31407203070385853,0.33206043108765676
EOS-2-44746,Cc1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)ccc2F)n(C)n1,TUKSSIXIHALPPQ-UHFFFAOYSA-N,2,1,0.505,81,120,498.547,4.737,6,0.327,0.66,1.0,0.4763638544308135,0.5120622301418682,0.4054725515728874,0.3520406414913303,0.4364848194092249
EOS-2-44747,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(F)c5)cs4)n23)cc1,BZHPIGHYTHTCFL-UHFFFAOYSA-N,2,1,0.505,67,755,498.547,4.911,6,0.309,0.69,1.0,0.5011736686998834,0.5395620588033719,0.33834212870947844,0.36195257350421495,0.43525760742923714
EOS-2-44748,Cc1c(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)cc2F)cnn1C,SNXQYBYAYMIYSR-UHFFFAOYSA-N,2,1,0.484,71,534,498.547,4.737,6,0.327,0.62,1.0,0.47396511548214654,0.5214944143650195,0.49426016037283255,0.4285175793297238,0.4795593173874306
EOS-2-44749,OCc1ccc(-c2nnc3cncc(Oc4ccc(-c5cscn5)cc4)n23)cc1,WGEYULZRSHHHAV-UHFFFAOYSA-N,2,1,0.525,1,528,401.451,4.199,5,0.475,0.83,1.0,0.7368155027071482,0.592505654170379,0.7371410458501816,0.6737029675827565,0.6850412925776164
EOS-2-44750,CCn1c(-c2csc(C)n2)nnc1-c1cncc2nnc(-c3cc(F)c(C)nc3-c3ccccn3)n12,BYGAGNXLWQAKTN-UHFFFAOYSA-N,2,1,0.294,8,754,498.551,4.406,6,0.344,0.63,0.035,0.1145397847988486,0.23063018298951407,0.024732711945719965,0.04325440339935577,0.1032892707833596
EOS-2-44751,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncn5C)n34)cn2)c1,YEZOZJVWEAGYEZ-UHFFFAOYSA-N,2,1,0.462,65,823,401.434,1.942,5,0.428,0.71,1.0,0.4270098005619903,0.3567096155164142,0.10826879583304777,0.06765300527722569,0.23991030429716947
EOS-2-44752,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccccn5)n34)nn2C)cn1,YGIQRTRHRVNLDT-UHFFFAOYSA-N,2,1,0.529,92,694,401.434,2.382,5,0.43,0.73,0.994,0.027105750119936947,0.009903365088067988,0.06810705229250909,0.04326297032417244,0.03709478445617162
EOS-2-44753,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnn5C)n34)cn2)cn1,SFEPXEUKPBJBAT-UHFFFAOYSA-N,2,1,0.413,92,860,401.434,2.382,5,0.43,0.76,1.0,0.1860222054691248,0.16613837296963882,0.11353745459529847,0.05965149749845795,0.13133738263313
EOS-2-44754,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c5)nc4)n23)cn1,UBMGBTQDWGZLHD-UHFFFAOYSA-N,2,1,0.513,92,847,401.434,1.942,5,0.428,0.81,1.0,0.4020372147214036,0.2925604824892057,0.15489856761017065,0.09539270783359605,0.23622224316359397
EOS-2-44755,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnn5C)n34)cn2)cn1,FQQVBLBXJQVAAN-UHFFFAOYSA-N,2,1,0.467,92,468,401.434,1.942,5,0.428,0.75,1.0,0.3081180179562744,0.24601637996024947,0.11354602152011514,0.06943492563909259,0.1842788362689329
EOS-2-44756,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)cc2)cn1,WANCMWHCEZHRKG-UHFFFAOYSA-N,2,1,0.447,36,519,401.434,2.382,5,0.43,0.7,1.0,0.2655404016174354,0.2256013981221301,0.08364745390994449,0.05526523199232403,0.15751362141045852
EOS-2-44757,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccn4C)n23)cn1,WUQIETUSMBMNOU-UHFFFAOYSA-N,2,1,0.452,65,823,401.434,1.942,5,0.428,0.74,1.0,0.37773284901651705,0.20540915632924406,0.07030875197039271,0.045910150092522785,0.17484022685216916
EOS-2-44758,CCn1cc(-c2cncc3nnc(-c4cnn(C)c4-c4ccccn4)n23)c(OC)n1,UUCQAIIITTXLBC-UHFFFAOYSA-N,2,1,0.296,50,974,401.434,2.479,5,0.446,0.69,1.0,0.10658967856898088,0.06143341786032486,0.029144678226303886,0.016003015557535468,0.05329269755328628
EOS-2-44759,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5cnn(C)c5)ccn4)n23)cn1,BCOANPFPOVBQBV-UHFFFAOYSA-N,2,1,0.451,92,711,401.434,1.942,5,0.428,0.68,1.0,0.3408094030566788,0.10581865533548078,0.1581882667397711,0.1015009252278802,0.17657931258995274
EOS-2-44760,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccn(C)n5)n34)cn2)cn1,NEJHOAJRBBVADC-UHFFFAOYSA-N,2,1,0.409,92,860,401.434,2.382,5,0.43,0.78,1.0,0.14446405318346925,0.16235179220067164,0.10827736275786444,0.05817798642999109,0.1183177986429991
EOS-2-44761,Cn1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncn(C)n5)cc4)n23)c1,FGRPBZSUQNELJT-UHFFFAOYSA-N,2,1,0.53,15,320,401.434,1.942,5,0.428,0.63,1.0,0.5317575902953876,0.33687718456582827,0.08365602083476116,0.0537831539990405,0.2515184874237544
EOS-2-44762,Cc1nnc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4)n23)n1C,AZPLOQRQJWINHO-UHFFFAOYSA-N,2,1,0.5,36,404,401.434,2.208,5,0.445,0.69,1.0,0.3478599821807964,0.19147076965252552,0.048702967582756496,0.03830272085532178,0.15658411006785006
EOS-2-44763,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccn(C)n4)n23)c1,NOXGYUAGTQQTBO-UHFFFAOYSA-N,2,1,0.389,92,905,401.434,2.382,5,0.43,0.61,1.0,0.12251559180316633,0.1152337057089987,0.14893598793776985,0.08571208279076142,0.11809934206017407
EOS-2-44764,Cc1nn(C)cc1-c1cnc(COc2cncc3nnc(-c4ccn(C)c4)n23)nc1,IQCYJTFTKMJNJH-UHFFFAOYSA-N,2,1,0.419,92,36,401.434,2.208,5,0.445,0.66,1.0,0.1833064903022411,0.08982420670276198,0.13067987115345076,0.06766157220204236,0.11786803509012406
EOS-2-44765,Cn1cc(CCOc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)cn1,HWLGZANZBCSYMM-UHFFFAOYSA-N,2,1,0.5,92,349,401.434,1.942,5,0.428,0.71,1.0,0.3661932012884655,0.16236035912548832,0.1973305462271263,0.1304314303337674,0.21407888424371188
EOS-2-44766,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4)n23)cn1,DKVPRUBJVIBKDB-UHFFFAOYSA-N,2,1,0.558,15,475,401.434,1.942,5,0.428,0.65,1.0,0.3957062572818861,0.29256904941402234,0.14579192653005277,0.1057329860873141,0.23495005482831882
EOS-2-44767,c1cnc2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)ccc2c1,AOPANRHLYKFUPF-UHFFFAOYSA-N,2,1,0.333,69,50,401.433,4.464,6,0.435,0.79,1.0,0.23034747447056406,0.25105373175245016,0.6823384277979576,0.7161606469741622,0.4699750702487835
EOS-2-44768,N#Cc1cc(-c2nnc3cncc(OCc4cnn(-c5ccsc5)n4)n23)ccn1,GYBHHDZHJWWVSP-UHFFFAOYSA-N,2,1,0.466,92,185,401.415,2.279,5,0.44,0.69,1.0,0.2655489685422521,0.24602494688506613,0.15819683366458775,0.1516859708039202,0.20536417997395656
EOS-2-44769,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)cc1,BYAWABSIPZSZCQ-UHFFFAOYSA-N,2,1,0.486,38,139,401.411,3.885,5,0.332,0.81,1.0,0.11148995956411487,0.022590980741553014,0.2762147899390035,0.1371050647659516,0.13685019875265575
EOS-2-44770,N#Cc1ncoc1-c1ccc(-c2nnc3cncc(OCc4cncs4)n23)cc1,FYQKBGTUSBEBAR-UHFFFAOYSA-N,2,1,0.577,97,256,401.411,3.353,5,0.44,0.73,1.0,0.6085429374271811,0.5629668974025084,0.41610410527037217,0.35204920841614695,0.48491578712905214
EOS-2-44771,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cc1,BFXGUASUYWKKNS-UHFFFAOYSA-N,2,1,0.5,9,340,401.411,3.885,5,0.332,0.8,1.0,0.05533376739085738,0.009080940305667877,0.39096018093345214,0.2473356863820163,0.17567764375299844
EOS-2-44772,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncccc5F)n34)cc2)cn1,ZJTYJHGLVGJGMX-UHFFFAOYSA-N,2,1,0.556,4,519,401.405,3.305,5,0.449,0.74,1.0,0.5915632924405455,0.5215029812898362,0.6253084092934,0.5665307381262422,0.576226355287506
EOS-2-44773,Cn1cccc1-c1cncc(COc2cncc3nnc(-c4ccc(F)cc4)n23)n1,BFJYCKAZMRCEDP-UHFFFAOYSA-N,2,1,0.556,4,32,401.405,3.305,5,0.449,0.75,1.0,0.8060362552258241,0.7582328147488178,0.5527808237954903,0.5303440477006374,0.6618484853676925
EOS-2-44774,CCn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cccc(F)c4)n23)cc1,YKFZAXCTQCHQHA-UHFFFAOYSA-N,2,1,0.658,67,520,401.405,4.001,5,0.443,0.74,1.0,0.5548968542252073,0.6494071688026866,0.4910389966417655,0.5137584812555686,0.552275375231307
EOS-2-44775,Cn1nc(-c2ccc(F)cn2)cc1COc1cncc2nnc(-c3ccccc3)n12,SBPVGLKKQAHFRY-UHFFFAOYSA-N,2,1,0.494,4,700,401.405,3.305,5,0.449,0.71,1.0,0.6368309231718182,0.6016722637242136,0.40190014392433693,0.40590946473853745,0.5115781988897264
EOS-2-44776,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4cccc(F)c4)n23)cn1,KCTWVWZSUURSFS-UHFFFAOYSA-N,2,1,0.547,16,214,401.405,3.305,5,0.449,0.77,1.0,0.7218319512027962,0.6113014872181481,0.5157460078130355,0.4814611746967309,0.5825851552326776
EOS-2-44777,Cn1nc(-c2nnc3cncc(OCc4ccccn4)n23)cc1-c1ccc(F)cc1,UEPIVBSCMSHCID-UHFFFAOYSA-N,2,1,0.605,95,965,401.405,3.305,5,0.449,0.74,1.0,0.3730039065177164,0.385186073607018,0.4596840518127613,0.4725173051881297,0.4225978342814064
EOS-2-44778,Cn1nc(-c2ccccn2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,AOGXKTPQNFWAGF-UHFFFAOYSA-N,2,1,0.548,4,32,401.405,3.305,5,0.449,0.73,1.0,0.6702761976560894,0.717428551847029,0.4385751490644918,0.44423788636830924,0.5676294462339799
EOS-2-44779,Cn1cnc(-c2ccc(F)nc2)c1COc1cncc2nnc(-c3ccccc3)n12,VQIFPVSDAGXCCV-UHFFFAOYSA-N,2,1,0.494,4,700,401.405,3.305,5,0.42,0.74,1.0,0.6641679802618052,0.5675330683297923,0.427275375231307,0.4189054896854225,0.5194704783770818
EOS-2-44780,COc1ncccc1-c1cncc2nnc(-c3cn(C)nc3-c3ccc(F)cc3)n12,STKKLGUPFUDILF-UHFFFAOYSA-N,2,1,0.355,96,46,401.405,3.402,5,0.459,0.74,1.0,0.24684737166746626,0.3759252278802001,0.43858371598930845,0.4157271605784388,0.36927086902885337
EOS-2-44781,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2)n1,LNDWRGMOZGAZQU-UHFFFAOYSA-N,2,1,0.58,4,22,401.405,3.305,5,0.449,0.71,1.0,0.5135785758344185,0.5078558700568844,0.6046449866355973,0.5439054896854225,0.5424962305530806
EOS-2-44782,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cc2)n1,JDQSNIAQXMKANB-UHFFFAOYSA-N,2,1,0.543,16,22,401.405,3.305,5,0.449,0.69,1.0,0.7095726817901447,0.5350901240490713,0.6492700980056199,0.5792269207045438,0.6182899561373449
EOS-2-44783,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)cc2)n1,NQEGRHBABIJYDV-UHFFFAOYSA-N,2,1,0.699,43,909,401.405,3.305,5,0.449,0.8,1.0,0.7977691727777397,0.6640566102391885,0.5980741553012131,0.5568843807826742,0.654196079775204
EOS-2-44784,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cn1,LBQBIDGXVHVZEQ-UHFFFAOYSA-N,2,1,0.58,43,109,401.405,3.305,5,0.449,0.73,1.0,0.670284764580906,0.5827564937290111,0.5980827222260298,0.5598656706188746,0.6027474127887054
EOS-2-44785,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)c2)cn1,ZSAFYEQGPDWVHL-UHFFFAOYSA-N,2,1,0.524,46,160,401.405,3.305,5,0.449,0.84,1.0,0.4788910972517305,0.3469518881502296,0.676966965937907,0.6302172572133506,0.5332568021383044
EOS-2-44786,COc1ncc(F)cc1-c1cncc2nnc(-c3ccc(-c4cnn(C)c4)cc3)n12,UVNJPGHZBXXIGP-UHFFFAOYSA-N,2,1,0.345,61,519,401.405,3.402,5,0.459,0.77,1.0,0.36372592694126515,0.4184685765197725,0.6166301144541155,0.5099633335617847,0.4771969878692345
EOS-2-44787,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cc[nH]n5)c4)n23)cc1,YIDNVWXDOKFQMW-UHFFFAOYSA-N,2,1,0.63,84,73,401.405,3.337,5,0.469,0.73,1.0,0.7808494962648208,0.7312298677266809,0.6547786306627373,0.6420995819340689,0.702239394147077
EOS-2-44788,Cn1nc(-c2cccc(F)c2)nc1COc1cncc2nnc(-c3ccccc3)n12,ZXKDQHYKWCHURK-UHFFFAOYSA-N,2,1,0.562,43,700,401.405,3.305,5,0.449,0.74,1.0,0.5743180727845932,0.5774364334178603,0.22899390034953054,0.3108937015968748,0.42291052703721477
EOS-2-44789,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccccc5)n34)ncc2F)cn1,OAIASOUQRFCLDI-UHFFFAOYSA-N,2,1,0.549,4,700,401.405,3.305,5,0.449,0.7,1.0,0.5885820026043451,0.4760211774381468,0.6105475978342814,0.5568929477074909,0.5580109313960661
EOS-2-44790,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)cn1,RNGZCHWYIABQIQ-UHFFFAOYSA-N,2,1,0.568,16,109,401.405,3.305,5,0.449,0.81,1.0,0.5885905695291618,0.5584949626482077,0.6606298403125214,0.6130148721814818,0.6051825611678432
EOS-2-44791,Cc1ccc(Oc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)cn1,LPLNHOVBNNYQTE-UHFFFAOYSA-N,2,1,0.471,13,374,401.405,3.827,5,0.455,0.79,1.0,0.7490148036460832,0.6738743060790898,0.604653553560414,0.5067764375299842,0.6335797752038927
EOS-2-44792,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cnn(C)c5)cn4)n23)cc1F,TXQCMHLAVQYGLO-UHFFFAOYSA-N,2,1,0.409,13,412,401.405,3.827,5,0.455,0.77,1.0,0.536932012884655,0.5120707970666849,0.7268778699198136,0.6157991227468987,0.5979199506545131
EOS-2-44793,Cn1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)c2)n1,OJGIBHVQYDCKIX-UHFFFAOYSA-N,2,1,0.518,44,348,401.405,3.305,5,0.449,0.78,1.0,0.44758755397162636,0.35180076759646356,0.6134175176478651,0.5697005003084092,0.49562658488109107
EOS-2-44794,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)c1,SYKMZFGVHKEUCU-UHFFFAOYSA-N,2,1,0.557,15,922,401.405,3.337,5,0.469,0.65,1.0,0.922349393461723,0.8487423754369131,0.6281354944829004,0.6216760331711328,0.7552258241381673
EOS-2-44795,COc1ccccc1-c1cncc2nnc(-c3cnc(-c4cnn(C)c4)cc3F)n12,PXQYQAGQGACKNX-UHFFFAOYSA-N,2,1,0.415,82,478,401.405,3.402,5,0.459,0.75,0.996,0.20844184771434446,0.302558083750257,0.6075491741484477,0.5265060653827702,0.41126379274895486
EOS-2-44796,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cc4)n23)c(F)n1,ZRDKSMSLMCDZGL-UHFFFAOYSA-N,2,1,0.494,13,374,401.405,3.827,5,0.426,0.77,1.0,0.6368394900966349,0.5971232266465629,0.5157545747378521,0.4349513398670413,0.5461671578370229
EOS-2-44797,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccc5F)n34)cc2)n1,RBULQHWWSKLPGX-UHFFFAOYSA-N,2,1,0.542,72,22,401.405,3.305,5,0.449,0.71,1.0,0.6031115070934138,0.5259920498937701,0.5562161606469742,0.49992289767665,0.546310653827702
EOS-2-44798,Cn1nc(-c2ccncc2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,HLBXRBWEBQAFGF-UHFFFAOYSA-N,2,1,0.577,4,32,401.405,3.305,5,0.449,0.72,1.0,0.6059300253580975,0.6689997258584058,0.5460643547392228,0.5233277362757864,0.5860804605578782
EOS-2-44799,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)nc5)n34)cc2)n1,OCSSCNRAZROWJG-UHFFFAOYSA-N,2,1,0.519,43,909,401.405,3.305,5,0.42,0.77,1.0,0.6141714070317319,0.5215115482146528,0.6577941881982043,0.5853779727229114,0.5947137790418751
EOS-2-44800,OCCn1cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)cn1,FTQLACWDVLYWBE-UHFFFAOYSA-N,2,1,0.342,96,478,401.405,2.848,5,0.487,0.83,1.0,0.14447262010828593,0.23063874991433075,0.5358525803577547,0.5823795490370777,0.37333587485436226
EOS-2-44801,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1,UMVUPUWOSYYTCA-UHFFFAOYSA-N,2,1,0.671,43,520,401.405,3.305,5,0.449,0.79,1.0,0.8955520526351861,0.7174371187718457,0.5917431978616956,0.5823881159618943,0.6967801213076554
EOS-2-44802,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccccc5F)n34)nc2)cn1,XXDYNDWLTFZIGN-UHFFFAOYSA-N,2,1,0.556,4,10,401.405,3.305,5,0.449,0.77,1.0,0.4763724213556302,0.5534747447056405,0.6339695702830512,0.5792354876293606,0.5607630559934207
EOS-2-44803,Fc1ccccc1CCOc1cncc2nnc(-c3cncc(-c4cn[nH]c4)c3)n12,HRGDCYWRXCTGIK-UHFFFAOYSA-N,2,1,0.639,84,73,401.405,3.337,5,0.469,0.73,1.0,0.6942207525186759,0.6350147351106846,0.6985813172503598,0.6912737303817422,0.6797726338153656
EOS-2-44804,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2)n1,RBKSOKQSSYMJTG-UHFFFAOYSA-N,2,1,0.524,72,22,401.405,3.305,5,0.42,0.74,1.0,0.5715081214447262,0.5032468645055171,0.5693920910150092,0.4934977040641491,0.5344111952573504
EOS-2-44805,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)c1,YBJQKGRKVMCERV-UHFFFAOYSA-N,2,1,0.676,43,250,401.405,3.305,5,0.449,0.78,1.0,0.912882941539305,0.7539836200397505,0.5852751696251114,0.582396682886711,0.7086346035227195
EOS-2-44806,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nc2)cn1,CTSSPRZAVMHPOL-UHFFFAOYSA-N,2,1,0.566,4,32,401.405,3.399,5,0.449,0.78,1.0,0.5601312452881914,0.5585035295730245,0.6309197450483175,0.5598742375436914,0.5773571893633062
EOS-2-44807,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nc2)cn1,QXXFYXLEKRZJNE-UHFFFAOYSA-N,2,1,0.603,4,32,401.405,3.305,5,0.449,0.79,1.0,0.554905421150024,0.6163559728599822,0.6742426838462066,0.6158076896717154,0.615327941881982
EOS-2-44808,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cc2)n1,NKRYGWYSLARLBW-UHFFFAOYSA-N,2,1,0.568,4,22,401.405,3.305,5,0.449,0.72,1.0,0.5472380234391063,0.5442653005277226,0.5980912891508464,0.530352614625454,0.5549868069357824
EOS-2-44809,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)n1,HHWNFCBQOCXYAK-UHFFFAOYSA-N,2,1,0.522,15,848,401.405,3.337,5,0.439,0.64,1.0,0.8826245630868343,0.8417688986361456,0.5947844561716127,0.5792440545541773,0.7246054931121925
EOS-2-44810,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccc5F)n34)cc2)nn1,LVZHKIKIZNNKRH-UHFFFAOYSA-N,2,1,0.562,43,178,401.405,3.305,5,0.449,0.8,1.0,0.6912908642313755,0.62523130697005,0.6371821670893016,0.6158162565965322,0.6423801487218148
EOS-2-44811,Cc1ccsc1-c1ccc(-c2nnc3cncc(OCc4sc(-c5cncnn5)nc4C)n23)cc1,LLXQVJOHCTUGPE-UHFFFAOYSA-N,2,1,0.457,40,2,498.597,5.024,6,0.315,0.68,1.0,0.45924713864711125,0.39973271194571997,0.12775854979096704,0.1263021725721335,0.27826014323898296
EOS-2-44812,Cc1onc(-c2ccc(F)cc2)c1COc1cncc2nnc(-c3ccccc3)n12,JDWCJGUBCHHPCW-UHFFFAOYSA-N,2,1,0.61,1,709,401.401,4.473,5,0.432,0.81,1.0,0.9082139675142211,0.8313086834349942,0.5789870468096772,0.6032914125145638,0.7304502775683641
EOS-2-44813,Fc1cc(-c2nnc3cncc(OCCc4ccoc4)n23)ccc1-c1ccccn1,JJUOMVOMXACJRE-UHFFFAOYSA-N,2,1,0.598,35,201,401.401,4.207,5,0.424,0.76,1.0,0.9128915084641217,0.7265951614008636,0.7396768555959153,0.7188849290658625,0.7745121136316908
EOS-2-44814,Cc1onc(-c2ccccc2)c1COc1cncc2nnc(-c3ccccc3F)n12,LUDQFHHUMUAGPJ-UHFFFAOYSA-N,2,1,0.562,1,709,401.401,4.473,5,0.432,0.79,1.0,0.7155523953121787,0.7174456856966623,0.5358611472825714,0.5729216640394764,0.6354452230827222
EOS-2-44815,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnnc4)n23)cn1,DQRDJFLOEVMFRZ-UHFFFAOYSA-N,2,1,0.476,92,728,401.394,0.788,5,0.402,0.71,1.0,0.42454252621478994,0.2715629497635529,0.0190014392433692,0.018307518333219107,0.18335360838873277
EOS-2-44816,Cc1cncc(-c2nnc3cncc(OCc4ccc(-c5nnn(C)n5)cn4)n23)n1,NSBWTFSUPMDLNR-UHFFFAOYSA-N,2,1,0.435,92,828,401.394,1.054,5,0.42,0.6,0.971,0.18331505722705776,0.12548831471455008,0.015788842437118773,0.009355081899801247,0.08348682406963195
EOS-2-44817,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nnnn5C)n34)cn2)cn1,LVNJKSSEBHBREI-UHFFFAOYSA-N,2,1,0.393,92,986,401.394,1.054,5,0.42,0.69,1.0,0.2870605167569049,0.2460335138098828,0.013827016654101843,0.008686861764101158,0.13890197724624767
EOS-2-44818,COc1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1,JUEKJFIFZAEIDN-UHFFFAOYSA-N,2,1,0.484,7,185,401.39,1.954,5,0.454,0.59,1.0,0.39783942156123636,0.3518093345212802,0.16772325406072236,0.09148619011719553,0.2522145500651086
EOS-2-44819,Cc1ncoc1COc1cncc2nnc(-c3cc(-c4c[nH]c(=N)cn4)ccn3)n12,GIAHUWPWOLPENK-UHFFFAOYSA-N,2,1,0.389,7,181,401.39,1.931,5,0.455,0.61,1.0,0.3846549242683846,0.1828781440614077,0.11355458844493181,0.06271845658282503,0.1859515283393873
EOS-2-44820,Cn1cnc(COc2cncc3nnc(-c4ccc(Oc5ncccn5)cc4)n23)n1,RHSXVOHUVBTQBF-UHFFFAOYSA-N,2,1,0.468,36,975,401.39,2.081,5,0.421,0.73,1.0,0.3957148242067028,0.24604208073469946,0.07886710986224385,0.043271537248989106,0.19097388801315882
EOS-2-44821,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(O)c4)n23)n1,MQIZKHKMISLCMH-UHFFFAOYSA-N,2,1,0.416,92,815,401.39,1.661,5,0.467,0.62,1.0,0.30812658488109107,0.1914793365773422,0.10286306627373039,0.07709375642519362,0.16989068603933932
EOS-2-44822,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)o1,JILNJFSQMHKUMO-UHFFFAOYSA-N,2,1,0.505,65,361,401.39,1.956,5,0.416,0.62,0.996,0.5062110204920841,0.3662103351380988,0.05255808375025701,0.04079569597697211,0.24144378383935303
EOS-2-44823,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)nn1,SQAHAGVQGSUXKM-UHFFFAOYSA-N,2,1,0.422,53,602,401.39,1.956,5,0.416,0.69,0.998,0.4040076074292372,0.24098759509286546,0.04375985196353917,0.03401925844698787,0.1806935782331574
EOS-2-44824,OCc1nc(-c2ccc(-c3nnc4cncc(OCc5ccncn5)n34)cc2)n[nH]1,LIGDMPHOGBZWFH-UHFFFAOYSA-N,2,1,0.484,47,320,401.39,1.438,5,0.432,0.56,1.0,0.5268658762250702,0.42291481049962304,0.1368137893221849,0.09941059557261325,0.29650126790487286
EOS-2-44825,COc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1cnco1,BRBQTAAZOSBJEI-UHFFFAOYSA-N,2,1,0.517,72,83,401.386,2.824,5,0.424,0.71,1.0,0.3753940785415667,0.2054177232540607,0.3609588102254815,0.2388201631142485,0.29514769378383937
EOS-2-44826,COc1cc(-c2nnc3cncc(OCc4ccnnc4)n23)ccc1-c1ccon1,YYSDDUVOUBTNAG-UHFFFAOYSA-N,2,1,0.466,72,591,401.386,2.824,5,0.424,0.72,1.0,0.5187101637996024,0.20096292234939347,0.4308306490302241,0.2890908779384552,0.35989865327941883
EOS-2-44827,OCc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)no4)n23)cc1,GTJTXEXKYYDTOF-UHFFFAOYSA-N,2,1,0.523,89,731,401.386,2.308,5,0.456,0.81,1.0,0.46144883832499484,0.4044873552189706,0.23611301487218148,0.20943561099307792,0.3278712048523062
EOS-2-44828,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccon5)cn4)n23)cc1,AAAFHGOXUFMDMZ-UHFFFAOYSA-N,2,1,0.529,24,731,401.386,2.308,5,0.456,0.73,1.0,0.5161829209786855,0.34195737098211226,0.35356555410869717,0.28327393598793776,0.3737449455143581
EOS-2-44829,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)cc1,DSZLPDJZDRONOK-UHFFFAOYSA-N,2,1,0.568,89,805,401.386,2.308,5,0.456,0.75,1.0,0.6912994311561922,0.2819203618669043,0.4122318552532383,0.32006887807552603,0.4263801315879652
EOS-2-44830,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccccc5)n34)n2)o1,HYFJOLOKXWNEKY-UHFFFAOYSA-N,2,1,0.512,81,268,401.386,2.824,5,0.424,0.69,0.999,0.4592557055719279,0.2872061544787883,0.10287163319854704,0.07321293948324309,0.2306366081831266
EOS-2-44831,COc1cc(-c2nnc3cncc(OCc4cccnc4)n23)ccc1-c1nnco1,VHBSXKBOVZZVOS-UHFFFAOYSA-N,2,1,0.518,72,591,401.386,2.824,5,0.424,0.76,1.0,0.526874443149887,0.1701905284079227,0.37618223562470016,0.24452573504214928,0.3294432355561648
EOS-2-44832,COc1ccncc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,APNYORGOVOUWGC-UHFFFAOYSA-N,2,1,0.482,72,22,401.386,2.824,5,0.424,0.72,1.0,0.5885991364539784,0.27157151668836954,0.3984391062984031,0.247344253306833,0.37648850318689603
EOS-2-44833,COc1nc(-c2nnc3cncc(OCc4cnco4)n23)ccc1-c1ccccn1,UHQVXWGQTLNCGT-UHFFFAOYSA-N,2,1,0.46,49,501,401.386,2.824,5,0.424,0.62,1.0,0.42701836748680694,0.15471009526420396,0.18391474196422453,0.11015351929271469,0.21894918100198751
EOS-2-44834,c1cc(CCOc2cncc3nnc(-c4ccnc(-c5cnc(CN6CCCCC6)s5)c4)n23)ccn1,VBOBFZHQGKENOR-UHFFFAOYSA-N,2,1,0.5,75,393,498.616,4.312,6,0.312,0.64,1.0,0.07595435542457679,0.04259475018847234,0.0025872112946336784,0.014272496744568569,0.033852203413062845
EOS-2-44835,Fc1cc(F)cc(Nc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,VSYRKUZQUBYBQD-UHFFFAOYSA-N,2,1,0.524,96,558,401.38,4.27,5,0.484,0.82,1.0,0.008318483996984443,0.08983277362757865,0.8757881570831334,0.8709906791857994,0.46123252347337396
EOS-2-44836,FC(F)c1nncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,OWJCYNFZDITFIL-UHFFFAOYSA-N,2,1,0.382,93,774,401.38,4.248,5,0.448,0.8,1.0,0.2870690836817216,0.40449592214378727,0.6848656706188746,0.7215578096086629,0.5244971215132617
EOS-2-44837,CCn1cnc(-c2ccc(-c3nnc4cncc(OCC(F)F)n34)nc2OC)c1,DBPXGLCPRRHVFC-UHFFFAOYSA-N,2,1,0.402,68,457,401.377,2.722,4,0.47,0.6,0.999,0.44302994996915906,0.39011205537660204,0.3909687478582688,0.22698923994243025,0.362774998286615
EOS-2-44838,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccncc5)c4)n23)cc1F,YUKUBPJMZIRLFT-UHFFFAOYSA-N,2,1,0.662,57,15,401.376,4.924,5,0.428,0.78,1.0,0.8484339661435131,0.7881142485093551,0.9503118360633267,0.9514084024398601,0.8845671132890138
EOS-2-44839,Fc1ccc(-c2cncc3nnc(-c4ncccc4F)n23)c(Oc2ccccc2)c1,NKUYEDZNAOWLTE-UHFFFAOYSA-N,2,1,0.344,96,586,401.376,4.924,5,0.428,0.83,1.0,0.4270269344116236,0.5120793639915016,0.8619011719553149,0.8932646837091358,0.673568038516894
EOS-2-44840,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5cccc(F)c5)n34)cc2)nc1,AWACAQAFBGFLNU-UHFFFAOYSA-N,2,1,0.671,57,480,401.376,4.924,5,0.428,0.83,1.0,0.8270937564251936,0.8666643821533823,0.9253049825234734,0.9316530738126242,0.8876790487286683
EOS-2-44841,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)cc1F,HCIXZZZGHIGDDS-UHFFFAOYSA-N,2,1,0.5,57,480,401.376,4.924,5,0.428,0.85,1.0,0.9313617983688575,0.9158727983003221,0.9261445411555068,0.9285946816530738,0.9254934548694401
EOS-2-44842,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)cc1,VHDVGHVGLVAUQA-UHFFFAOYSA-N,2,1,0.605,57,480,401.376,4.924,5,0.428,0.83,1.0,0.792037900075389,0.7752295935850867,0.9235915975601399,0.9316616407374408,0.8556301829895141
EOS-2-44843,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)c(F)c1,RPGRWERVDKVKBV-UHFFFAOYSA-N,2,1,0.494,57,480,401.376,4.924,5,0.428,0.87,1.0,0.8708793091631828,0.9031252141731204,0.9102700294702214,0.9192138989788226,0.9008721129463368
EOS-2-44844,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)cc1F,LSPQQBMTUNQENF-UHFFFAOYSA-N,2,1,0.623,57,15,401.376,4.924,5,0.428,0.81,1.0,0.8708878760879994,0.7881228154341717,0.9462596806250428,0.9494637105064766,0.8886835206634226
EOS-2-44845,Fc1cccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)c1F,SYXYNDGZQZPZHH-UHFFFAOYSA-N,2,1,0.442,57,480,401.376,4.924,5,0.428,0.83,1.0,0.8163679665547255,0.8277876773353438,0.9130285792611884,0.9169950654513056,0.8685448221506409
EOS-2-44846,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccn5)cc4)n23)cc1F,KHRHTBQZVQIBSC-UHFFFAOYSA-N,2,1,0.531,57,480,401.376,4.924,5,0.428,0.84,1.0,0.9184000411212391,0.9077170858748543,0.9350198752655746,0.9341374820094579,0.9238186210677815
EOS-2-44847,Fc1ccc(-c2ccccc2-c2nnc3cncc(Oc4cccc(F)c4)n23)nc1,LPQRAHGICVTXSA-UHFFFAOYSA-N,2,1,0.597,57,480,401.376,4.924,5,0.428,0.84,1.0,0.7722825714481529,0.8123415118908917,0.8987046809677198,0.9170036323761223,0.8500830991707217
EOS-2-44848,Fc1ccc(COc2cncc3nnc(-c4cnnc(-c5cncnc5)c4)n23)cn1,KPRYHOAXNGJAKP-UHFFFAOYSA-N,2,1,0.456,55,875,401.365,2.151,5,0.408,0.54,1.0,0.6115584949626482,0.5260006168185868,0.43859228291412516,0.39987834966760333,0.4940074360907408
EOS-2-44849,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)nn2)cn1,GLAYUAWPTSYGGE-UHFFFAOYSA-N,2,1,0.4,54,411,401.365,2.151,5,0.408,0.69,1.0,0.47889966417654717,0.4805445137413474,0.2613426084572682,0.262482009457885,0.37081719895826193
EOS-2-44850,Fc1cccnc1-c1nnc2cncc(OCc3cnc(-c4cncnc4)cn3)n12,HPYHAUMFRLLYHD-UHFFFAOYSA-N,2,1,0.433,7,435,401.365,2.151,5,0.436,0.6,1.0,0.5037180453704339,0.5120879309163183,0.23274621341923105,0.2357360701802481,0.3710720649715578
EOS-2-44851,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5cccnc5)n34)n2)nc1,XXWXUXAHSUPDSG-UHFFFAOYSA-N,2,1,0.483,7,535,401.365,2.151,5,0.436,0.61,1.0,0.5345504077856212,0.562975464327325,0.16773182098553904,0.17856041395380715,0.3609545267630731
EOS-2-44852,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cn2)cn1,NFMUNJREZNOLGW-UHFFFAOYSA-N,2,1,0.471,55,434,401.365,2.151,5,0.408,0.68,1.0,0.5525152491261737,0.5925142210951957,0.2943338359262559,0.25658796518401755,0.42398781783291073
EOS-2-44853,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cn1,CESTVEZIYPYZKY-UHFFFAOYSA-N,2,1,0.458,51,855,401.365,2.151,5,0.408,0.71,1.0,0.6282468645055171,0.6690082927832225,0.334872524158728,0.3077496401891577,0.48496933040915635
EOS-2-44854,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)cn1,LNWYOUBQOYGOJC-UHFFFAOYSA-N,2,1,0.453,7,434,401.365,2.151,5,0.408,0.65,1.0,0.5857292166403948,0.6113100541429648,0.312615653485025,0.25930368035090123,0.44223965115482144
EOS-2-44855,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cccnn5)n34)c2)cn1,PNVTVVCEWFJKDG-UHFFFAOYSA-N,2,1,0.413,53,182,401.365,2.151,5,0.408,0.73,1.0,0.4245510931396066,0.4407083133438421,0.3088462065656912,0.3200774450003427,0.37354576451237065
EOS-2-44856,Fc1cc(COc2cncc3nnc(-c4cc(-c5cncnc5)cnn4)n23)ccn1,VWZDXZBOIZTFKW-UHFFFAOYSA-N,2,1,0.387,92,182,401.365,2.151,5,0.408,0.66,1.0,0.5549139880748406,0.4714635734356795,0.42728394215612364,0.4059180316633541,0.4648948838324995
EOS-2-44857,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nn4)n23)n1,VKKPEVJJEBAHCL-UHFFFAOYSA-N,2,1,0.433,53,670,401.365,2.151,5,0.408,0.7,1.0,0.48366287437461447,0.44071688026865874,0.2685816599273525,0.2684959906791858,0.3653643513124529
EOS-2-44858,Fc1cc(COc2cncc3nnc(-c4cc(-c5cncnc5)ncn4)n23)ccn1,SEYQTQLJLVDCBS-UHFFFAOYSA-N,2,1,0.391,46,395,401.365,2.151,5,0.408,0.6,0.999,0.6059385922829141,0.5032554314303338,0.4054811184977041,0.3619611404290316,0.46915907065999585
EOS-2-44859,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4cc(F)c(-c5ccccc5)o4)n23)cc1,XPMWFVOVDCZTCE-UHFFFAOYSA-N,2,1,0.5,96,366,401.357,4.766,5,0.318,0.82,1.0,0.3569580563360976,0.2054262901788774,0.7137362072510451,0.5665393050510589,0.46066496470426976
EOS-2-44860,OCc1ccc(-c2nnc3cncc(OCc4cccnc4C(F)(F)F)n23)cc1,PBNDUJFHAGYEQZ-UHFFFAOYSA-N,2,1,0.636,48,12,401.348,3.276,4,0.553,0.82,1.0,0.9479987663628264,0.7881313823589884,0.9690819683366458,0.8988160509903365,0.9010070420121993
EOS-2-44861,COc1ccc(COc2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)nc1,ORPNRGGJYLKIST-UHFFFAOYSA-N,2,1,0.612,48,305,401.348,3.793,4,0.507,0.79,1.0,0.6609125488314714,0.7960043862655062,0.9792937427181139,0.920233363032006,0.8391110102117744
EOS-2-44862,N#Cc1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(F)c5)no4)n23)cc1,YCZDKZNBCYDZCC-UHFFFAOYSA-N,2,1,0.472,96,316,401.336,3.658,5,0.454,0.79,1.0,0.42455966006442325,0.6065382770200809,0.8349581934068947,0.8724299225549996,0.6846215132615996
EOS-2-44863,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(Br)c5)n34)nn2)cn1,BYDKYZSPGNQMSS-UHFFFAOYSA-N,2,1,0.518,36,391,498.732,3.372,5,0.363,0.7,1.0,0.5631382358988417,0.7960129531903228,0.3498218079638133,0.40938763621410457,0.5295901583167706
EOS-2-44864,N=c1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)[nH]1,JZWAZLBWGDMAQY-UHFFFAOYSA-N,2,1,0.632,23,400,401.257,3.527,4,0.535,0.65,1.0,0.9513227331916935,0.9268470289904736,0.7610856007127681,0.8381793571379618,0.8693586800082241
EOS-2-44865,Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,KLCAODGQOYPDKM-UHFFFAOYSA-N,2,1,0.824,48,948,401.253,4.425,4,0.536,0.77,1.0,0.9859245425262148,0.9812812692755808,0.9178860256322391,0.9341460489342746,0.9548094715920773
EOS-2-44866,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5cnc(Cl)c(Cl)c5)ccn4)n23)n1,KPQGTZWGDPXDMU-UHFFFAOYSA-N,2,1,0.41,18,157,498.761,5.225,5,0.296,0.67,1.0,0.6575885820026044,0.6738828730039065,0.7703293125899527,0.8511239805359468,0.7382311870331026
EOS-2-44867,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4Cl)n23)cn1,SFCDBWLPDFUADK-UHFFFAOYSA-N,2,1,0.549,58,669,498.761,5.225,5,0.296,0.69,1.0,0.8971883352751696,0.937641354259475,0.7864094304708382,0.8560756630799808,0.869328695771366
EOS-2-44868,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)c(Cl)c5)nc4)n23)cn1,ZVZAWCBUMNCUBR-UHFFFAOYSA-N,2,1,0.517,84,76,498.761,5.225,5,0.296,0.7,1.0,0.853000137070797,0.9391234322527585,0.8349667603317114,0.8793948324309506,0.8766212905215545
EOS-2-44869,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(Cl)c5)nc4)n23)n1,FPCRTEZVIVSRSR-UHFFFAOYSA-N,2,1,0.522,84,279,498.761,5.225,5,0.317,0.76,1.0,0.8033805085326571,0.8985676101706531,0.7748697827427866,0.8660903981906655,0.8357270749091906
EOS-2-44870,Clc1ccc(-c2cnc(Cl)c(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cc1,BFMHEXZOVFHEAC-UHFFFAOYSA-N,2,1,0.517,20,279,498.761,5.225,5,0.296,0.6,1.0,0.7430265231992325,0.8487509423617299,0.7346909053526146,0.8560842300047975,0.7956381502295936
EOS-2-44871,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5nc(Cl)ccc5Cl)n34)ncn2)cc1,FBTWMUZFWUEAMR-UHFFFAOYSA-N,2,1,0.441,44,130,498.761,5.225,5,0.296,0.7,0.978,0.7892622164347886,0.8123500788157083,0.7162720169967788,0.8494105955726132,0.7918237269549722
EOS-2-44872,Clc1cncc(CCOc2cncc3nnc(-c4cccc(-c5cnc(Cl)c(Cl)c5)c4)n23)n1,MJYQTIDADVWBIA-UHFFFAOYSA-N,2,1,0.484,20,919,498.761,5.225,5,0.296,0.66,1.0,0.7637927489548352,0.8313172503598109,0.7727366184634363,0.8613357549174149,0.8072955931738742
EOS-2-44873,Clc1ccc(CCOc2cncc3nnc(-c4cnc(-c5ccncc5Cl)c(Cl)c4)n23)nc1,WBEJCBWORZLEJT-UHFFFAOYSA-N,2,1,0.505,87,141,498.761,5.225,5,0.317,0.62,1.0,0.8218422315125763,0.845187101637996,0.7659430470838188,0.8613443218422315,0.8235791755191556
EOS-2-44874,Clc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)nn2)c1,TXKRKLUOAWSRSH-UHFFFAOYSA-N,2,1,0.59,54,381,498.761,5.225,5,0.317,0.7,0.994,0.8789322184908506,0.7960215201151395,0.8259629223493935,0.9000325543143033,0.8502373038174217
EOS-2-44875,Clc1ccc(-c2nnc3cncc(OCc4csnc4-c4ccccc4)n23)cc1Br,ZQLDZMWWSBLLFR-UHFFFAOYSA-N,2,1,0.582,57,709,498.793,5.91,5,0.301,0.74,1.0,0.8708964430128161,0.9097902816804879,0.7819888972654376,0.842068741004729,0.8511860907408677
EOS-2-44876,FC(F)(F)Oc1ccccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,SLTXMHANMIRZKI-UHFFFAOYSA-N,2,1,0.547,1,431,498.852,5.379,5,0.31,0.72,1.0,0.9745905009937633,0.9542954561030772,0.9788825303269139,0.9596754848879446,0.9668609930779248
EOS-2-44877,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cc1,BMLLYZWAOGKJKO-UHFFFAOYSA-N,2,1,0.56,1,713,498.852,5.379,5,0.31,0.81,1.0,0.9387893221849085,0.9362278116647248,0.9821722294565143,0.9664433554931122,0.955908179699815
EOS-2-44878,FC(F)(F)Oc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1,JMFMGMXJQPQUQF-UHFFFAOYSA-N,2,1,0.571,1,431,498.852,5.379,5,0.31,0.81,1.0,0.9778887670481804,0.9732797614968131,0.9821807963813309,0.9664519224179289,0.9749503118360634
EOS-2-44879,FC(F)(F)Oc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cc1,FMZBTYGSXRNJMH-UHFFFAOYSA-N,2,1,0.489,1,560,498.852,5.379,5,0.31,0.73,1.0,0.7667397710917689,0.8780926598588171,0.9793023096429305,0.9674628195462956,0.897899390034953
EOS-2-44880,FC(F)(F)Oc1ccccc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cn4)ccn3)n12,HCAHLRNNBFSAEH-UHFFFAOYSA-N,2,1,0.418,44,692,498.852,5.379,5,0.31,0.65,1.0,0.9036392296621205,0.838299294085395,0.9757898704680967,0.9572082105407443,0.9187341511890892
EOS-2-44881,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1-c1ccc(Cl)nn1,DWLGPULZFYJGBP-UHFFFAOYSA-N,2,1,0.731,43,431,498.852,5.221,5,0.304,0.75,1.0,0.9834744020286478,0.9854704955109314,0.9701528339387293,0.9638647111232952,0.975740610650401
EOS-2-44882,O=c1ccccn1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)c(Cl)c1,WUSMCSMDIRTNEE-UHFFFAOYSA-N,2,1,0.511,1,676,498.852,4.588,5,0.352,0.74,1.0,0.7808580631896375,0.7539921869645672,0.9761496813103968,0.9514169693646769,0.8656042252073196
EOS-2-44883,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)nc5)nc4)n23)cc1Cl,VITRTILDBPPNFM-UHFFFAOYSA-N,2,1,0.631,59,294,498.852,5.221,5,0.304,0.78,1.0,0.9657151668836954,0.9792337742443973,0.9710780618189295,0.960309437324378,0.9690841100678501
EOS-2-44884,FC(F)(F)Oc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)c1,LNTFZXMPVCHKOM-UHFFFAOYSA-N,2,1,0.516,1,431,498.852,5.379,5,0.31,0.84,1.0,0.9574395175107944,0.9774175861832637,0.9761582482352135,0.9638732780481118,0.9687221574943459
EOS-2-44885,FC(F)(F)Oc1ccccc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,JNBWLMXGEWNIOX-UHFFFAOYSA-N,2,1,0.506,1,679,498.852,5.379,5,0.31,0.79,1.0,0.9639503803714619,0.9774261531080803,0.9722345966691797,0.957216777465561,0.9677069769035708
EOS-2-44886,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)cc5)nn4)n23)cc1,QGOHHFVVNYRSNE-UHFFFAOYSA-N,2,1,0.565,1,640,498.852,5.379,5,0.31,0.83,1.0,0.9387978891097252,0.9701271331642793,0.9771605784387636,0.964952710575012,0.962759577821945
EOS-2-44887,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccnc(-c4cncc(COC(F)F)c4)c3)n12,VZCGXBBXQJCYTN-UHFFFAOYSA-N,2,1,0.463,13,110,498.852,5.572,5,0.29,0.64,1.0,0.9169436639024056,0.9510400246727435,0.9751302172572134,0.9694846138030293,0.953149629908848
EOS-2-44888,FC(F)(F)c1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cn1,WZVKVHASUBYBMK-UHFFFAOYSA-N,2,1,0.523,75,454,498.856,4.332,5,0.319,0.68,1.0,0.9113580289219382,0.923197519018573,0.8689517510794326,0.7608971283668015,0.8661011068466863
EOS-2-44889,FC(F)(F)c1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cn1,JADRQEXEAUTFDP-UHFFFAOYSA-N,2,1,0.527,75,819,498.856,4.332,5,0.319,0.65,1.0,0.7187821259680625,0.8451956685628127,0.8703738605989993,0.7850815571242546,0.8048583030635323
EOS-2-44890,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ccc2F)cc1F,XDIIRPHNMXTIOH-UHFFFAOYSA-N,2,1,0.778,88,485,498.867,6.29,5,0.258,0.75,1.0,0.997883969570283,0.9985436227811665,0.9941487903502159,0.997704064149133,0.9970701117126997
EOS-2-44891,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5C(F)(F)F)cc4)n23)cc1Cl,IJNMRZNOWIXVJZ-UHFFFAOYSA-N,2,1,0.726,57,853,498.867,6.849,5,0.249,0.83,1.0,0.9935062709889658,0.9912017682132822,0.9988177643752998,0.9990405044205332,0.9956415769995203
EOS-2-44892,Fc1cccc(-c2cc(Cl)ccc2COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,KNNOJZQNCOEQPW-UHFFFAOYSA-N,2,1,0.585,57,138,498.867,6.849,5,0.249,0.83,1.0,0.9909875950928655,0.9905249811527654,0.9988263313001166,0.9992975121650333,0.9949091049276952
EOS-2-44893,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)cc1C(F)(F)F,UPFURMZMJKTOEJ-UHFFFAOYSA-N,2,1,0.628,57,23,498.867,6.849,5,0.249,0.81,1.0,0.9829004180659311,0.9838941813446646,0.9987577959015832,0.9990490713453499,0.9911503666643822
EOS-2-44894,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cc2)cc1Cl,ZCZLWXOYONRIRS-UHFFFAOYSA-N,2,1,0.649,57,853,498.867,6.849,5,0.249,0.79,1.0,0.9961448838324994,0.9924525392365157,0.9991861421424165,0.9994945514358166,0.996819529161812
EOS-2-44895,Fc1cc(-c2ccc(Cl)nn2)cnc1Oc1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,VCXBTSGYDGLWSO-UHFFFAOYSA-N,2,1,0.31,6,596,498.869,4.08,6,0.342,0.71,1.0,0.6942293194434925,0.6886351175382085,0.4842539921869646,0.48747515591803164,0.5886483962716743
EOS-2-44896,Fc1ccc(-c2ncc(-c3ccc(Oc4cncc5nnc(-c6ccc(Cl)cn6)n45)nn3)cn2)nc1,VGPNNPNATIGNEU-UHFFFAOYSA-N,2,1,0.326,6,318,498.869,4.08,6,0.342,0.65,1.0,0.7065742581043108,0.7752381605099034,0.4161126721951888,0.4662805839215955,0.5910514186827496
EOS-2-44897,CCOc1ccc(OC(F)F)cc1-c1nnc2cncc(-c3ccc(-c4noc(C)n4)c(Cl)c3)n12,NOMNURFCKWMJOR-UHFFFAOYSA-N,2,1,0.38,96,697,498.877,5.47,5,0.291,0.76,1.0,0.6641765471866219,0.7406706188746488,0.8513724213556302,0.8031063669385238,0.7648314885888561
EOS-2-44898,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncnn1C(F)F,WRJBCYXFHYRFJU-UHFFFAOYSA-N,2,1,0.505,15,669,498.881,4.123,5,0.294,0.61,1.0,0.7033273935987938,0.6591991638681379,0.6606384072373381,0.5569015146323076,0.6450166198341444
EOS-2-44899,FC(F)OCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)cn1,NMZIWVYEGUCQNF-UHFFFAOYSA-N,2,1,0.42,55,468,498.881,3.916,5,0.282,0.72,1.0,0.5011822356247002,0.5032639983551505,0.7520132273319169,0.7079963676238777,0.6161139572339114
EOS-2-44900,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccc(Cl)cc6)nn5)n34)nc2)o1,BQCTWQRJOYAVOQ-UHFFFAOYSA-N,2,1,0.43,71,826,498.894,3.629,6,0.332,0.69,1.0,0.49862929202933315,0.6444469193338359,0.15490713453498733,0.19478616955657596,0.37319237886368306
EOS-2-44901,Cc1nc(-c2ccc(-c3ccc(-c4nnc5cncc(OCc6ncc(Cl)cn6)n45)nn3)cc2)no1,NYXXCVZELNTLJX-UHFFFAOYSA-N,2,1,0.368,56,428,498.894,3.629,6,0.332,0.61,1.0,0.5011908025495169,0.5032725652799671,0.13999211842916867,0.1570145980398876,0.32536752107463507
EOS-2-44902,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccc(Cl)nc6)nn5)n34)cc2)n1,BFIMVMYYJORVLI-UHFFFAOYSA-N,2,1,0.43,56,415,498.894,3.629,6,0.31,0.67,1.0,0.5345589747104379,0.6113186210677816,0.18392330888904118,0.19479473648139264,0.38114891028716336
EOS-2-44903,Clc1ccc(-c2noc(CCOc3cncc4nnc(-c5ccc(-c6cncnn6)cc5)n34)n2)cn1,GDRAWDBFIUPDLF-UHFFFAOYSA-N,2,1,0.436,56,415,498.894,3.363,6,0.299,0.69,1.0,0.6853282845589748,0.6787317524501405,0.1805650743609074,0.23882873003906518,0.4458634603522719
EOS-2-44904,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccc(Cl)nc6)o5)n34)cn2)nn1,LWIZKOJTHJWZOJ-UHFFFAOYSA-N,2,1,0.412,6,826,498.894,3.629,6,0.31,0.66,0.997,0.5112826399835515,0.6546758275649373,0.1677403879103557,0.1840004112123912,0.37942481666780886
EOS-2-44905,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cnnc(-c6nnco6)c5)c4)n23)ccn1,NLFHCKNEOMAKHT-UHFFFAOYSA-N,2,1,0.506,6,778,498.894,3.363,6,0.299,0.54,0.991,0.6398978822561853,0.6065468439448976,0.3052823658419574,0.3262370639435268,0.46949103899664174
EOS-2-44906,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(F)ccc(Cl)c4F)n23)ccc1F,YHKXLIBXSNZKLH-UHFFFAOYSA-N,2,1,0.516,88,70,498.896,5.367,5,0.282,0.56,1.0,0.9238057706805565,0.8805342334315674,0.940348502501542,0.9367161263792749,0.9203511582482351
EOS-2-44907,FCCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1F,NGUIZFLMMLJOQI-UHFFFAOYSA-N,2,1,0.516,88,70,498.896,5.177,5,0.295,0.69,1.0,0.8846977588924679,0.8666729490781989,0.910278596395038,0.9224950311836063,0.8960360838873278
EOS-2-44908,FC(F)(F)Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)cn1,JAOAARBANYHKQM-UHFFFAOYSA-N,2,1,0.687,91,322,498.896,5.492,5,0.297,0.72,1.0,0.7808666301144541,0.8313258172846275,0.9661349461997122,0.9501404975669934,0.8821169727914469
EOS-2-44909,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nc5)nn4)n23)cc1,PZOLWDZWCJHJNV-UHFFFAOYSA-N,2,1,0.48,56,415,498.898,2.461,6,0.312,0.7,1.0,0.41303714618600507,0.5395706257281886,0.09300253580974574,0.13043999725858405,0.2940125762456309
EOS-2-44910,Cn1nnc(-c2cnc(-c3nccc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)n3)cn2)n1,ZHWOZBRVHBTVDN-UHFFFAOYSA-N,2,1,0.523,71,156,498.898,2.461,6,0.333,0.68,1.0,0.5242786649304366,0.7033273935987938,0.060002741415941335,0.09732883284216298,0.3462344081968337
EOS-2-44911,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc(-c2cnccn2)n1,IOXAKFOPEPEHCW-UHFFFAOYSA-N,2,1,0.411,80,584,498.898,2.493,6,0.322,0.56,0.999,0.5796809677198272,0.6836063326708245,0.07031731889520938,0.0877167431978617,0.35533034062093066
EOS-2-44912,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nc(Cl)ccc5Oc5ccc(F)cc5)n34)cc2)o1,NRPOLVIHOYSZOZ-UHFFFAOYSA-N,2,1,0.375,83,950,498.905,6.402,6,0.254,0.69,1.0,0.6670293331505722,0.7540007538893838,0.8462494003152629,0.8439191967651292,0.7777996710300871
EOS-2-44913,COc1ncc(-c2ccc(-c3nnc4cncc(-c5coc(-c6ccc(Cl)cc6)n5)n34)cc2)cc1F,ZHZZBXFFWCJWNQ-UHFFFAOYSA-N,2,1,0.364,69,479,498.905,5.976,6,0.289,0.74,1.0,0.59998457953533,0.766971078061819,0.8477571790829964,0.8381879240627784,0.763225190185731
EOS-2-44914,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)c(F)c3)n12,QIRGTBQLEAJYCI-UHFFFAOYSA-N,2,1,0.344,83,923,498.905,5.976,6,0.289,0.72,1.0,0.7155609622369954,0.7622592694126517,0.9159499006236721,0.9116321705160716,0.8263505756973476
EOS-2-44915,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)cc1-c1nnco1,HPDZADOVLAMCHN-UHFFFAOYSA-N,2,1,0.649,12,492,498.905,5.88,6,0.283,0.73,1.0,0.9601123980535947,0.9391319991775752,0.915024672743472,0.922503598108423,0.9341931670207663
EOS-2-44916,Fc1ccc(-c2nnc3cncc(OCc4ccccc4-c4nnc(-c5ccc(Cl)cc5)o4)n23)cc1,JZIDEPQBQWHIEY-UHFFFAOYSA-N,2,1,0.628,83,897,498.905,5.88,6,0.283,0.82,1.0,0.9719004866013295,0.9739051470084299,0.8333476115413612,0.8644626824754986,0.9109039819066549
EOS-2-44917,Fc1cc(-c2nnco2)ccc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)cc4)cc3)n12,WWGGHXFUOHQMSY-UHFFFAOYSA-N,2,1,0.6,12,492,498.905,5.88,6,0.283,0.72,1.0,0.9608063189637448,0.9405112740730588,0.9206531423480228,0.9265814543211569,0.9371380474264958
EOS-2-44918,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(OCc2ccc(Cl)cn2)c1,DMUSKPKZLDHLEX-UHFFFAOYSA-N,2,1,0.354,69,30,498.905,5.88,6,0.283,0.64,1.0,0.6731032828455897,0.6787403193749572,0.8987132478925365,0.8961603042971695,0.7866792886025633
EOS-2-44919,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)c5)n34)c2)cc1Cl,NUAIBRBADYHJFN-UHFFFAOYSA-N,2,1,0.534,12,994,498.905,5.88,6,0.283,0.68,1.0,0.8392502227400452,0.8349324926324446,0.9169436639024056,0.9180830649030224,0.8773023610444793
EOS-2-44920,CS(=O)(=O)Oc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)cc1,CTOIXKOKWLHSNN-UHFFFAOYSA-N,2,1,0.542,1,210,498.908,3.412,5,0.307,0.81,1.0,0.6338324994859845,0.7622678363374683,0.2720940991021863,0.2890994448632719,0.48932346994722775
EOS-2-44921,Fc1cc(-c2nnc3cncc(OCc4cccnc4-c4ccc(Cl)nc4)n23)ccc1-c1cn[nH]c1,PSCSPUUFNQZIIK-UHFFFAOYSA-N,2,1,0.454,41,91,498.909,5.01,6,0.322,0.61,1.0,0.8730039065177164,0.8084007264752244,0.8382564594613118,0.8420773079295456,0.8404346000959495
EOS-2-44922,Fc1cc(-n2ccnc2)ccc1COc1cncc2nnc(-c3ccc(Cl)c(-c4cnccn4)c3)n12,MCMUSJYJILWEET-UHFFFAOYSA-N,2,1,0.484,97,247,498.909,4.806,6,0.325,0.64,1.0,0.7693441162360359,0.779478788294154,0.8744517168117333,0.867700980056199,0.8227439003495305
EOS-2-44923,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)cc4Cl)n23)n1,PVJAFVMTTKKUOA-UHFFFAOYSA-N,2,1,0.465,11,848,498.909,4.606,6,0.307,0.51,1.0,0.8596223699540813,0.9213727640326228,0.6606469741621548,0.7161692138989788,0.7894528305119594
EOS-2-44924,Fc1cc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)cc5)nn4)n23)ccc1-c1ccccn1,KZRYSFGCPQYIJW-UHFFFAOYSA-N,2,1,0.6,77,104,498.909,4.806,6,0.325,0.72,1.0,0.32604002467274346,0.512096497841135,0.7111746967308615,0.7732763347268864,0.5806468884929066
EOS-2-44925,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)cc2)cnc1Cl,HNWSGZXABVFDQY-UHFFFAOYSA-N,2,1,0.685,77,104,498.909,4.806,6,0.304,0.78,1.0,0.33116304571311084,0.45402988143376055,0.7162805839215955,0.7531611952573504,0.5636586765814543
EOS-2-44926,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)cc4)n23)nc1Cl,LEVVGFSOEKXTCC-UHFFFAOYSA-N,2,1,0.485,40,275,498.909,4.606,6,0.307,0.48,0.998,0.9526848742375437,0.9580906037968611,0.6742512507710232,0.7109862243848948,0.8240032382975806
EOS-2-44927,Fc1ccc(-n2cc(-c3ccnc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)n3)cn2)cc1,DWEDOBJZYCLNSK-UHFFFAOYSA-N,2,1,0.506,57,210,498.909,4.806,6,0.325,0.75,1.0,0.5242872318552533,0.812358645740525,0.7085789185114112,0.7609056952916181,0.7015326228497019
EOS-2-44928,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccc(Cl)cc6)nn5)n34)cc2)cn1,BSOFRACBMCQAAH-UHFFFAOYSA-N,2,1,0.62,77,104,498.909,4.806,6,0.304,0.69,1.0,0.3161623603591255,0.5395791926530052,0.7585412240422178,0.8031149338633404,0.6043494277294222
EOS-2-44929,Fc1ccc(-n2nnc(-c3cccc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)c3)n2)cc1,PCYQJYQOUSKSDH-UHFFFAOYSA-N,2,1,0.602,77,461,498.909,4.806,6,0.325,0.77,1.0,0.7310756630799808,0.8640000685353986,0.7137447741758618,0.7827427866493044,0.7728908231101363
EOS-2-44930,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)c2)cc1Cl,BHKHHPIOVMZMAD-UHFFFAOYSA-N,2,1,0.573,28,104,498.909,4.806,6,0.325,0.8,1.0,0.1944092248646426,0.3419659379069289,0.6958570351586595,0.7609142622164348,0.4982866150366665
EOS-2-44931,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)nc5)n34)nn2)cc1,XELFMPZNEWYIBL-UHFFFAOYSA-N,2,1,0.581,57,801,498.909,4.806,6,0.325,0.79,1.0,0.24685593859228291,0.5121050647659516,0.7162891508464122,0.7873517922006716,0.5656504866013297
EOS-2-44932,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cc6ccncc6nn5)ccc4Cl)n23)cn1,ICQMYSRITCNNMP-UHFFFAOYSA-N,2,1,0.505,35,386,498.909,4.606,6,0.307,0.53,1.0,0.8596309368788979,0.9332379549037078,0.7321807963813309,0.7710746350490028,0.8240310808032348
EOS-2-44933,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)ccc1-c1nn[nH]n1,KYJKYOMVSLHCLX-UHFFFAOYSA-N,2,1,0.671,83,23,498.909,5.01,6,0.344,0.82,1.0,0.9471163731067096,0.9432698238640258,0.8603505585634981,0.8865996162017682,0.9093340929340004
EOS-2-44934,Fc1ccc(-n2cc(-c3ccc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)cn3)nn2)cc1,AYEZRCYNSXUBDG-UHFFFAOYSA-N,2,1,0.576,57,798,498.909,4.806,6,0.325,0.78,0.968,0.5268830100747036,0.7128623809197451,0.7659516140086354,0.8052823658419573,0.7027448427112604
EOS-2-44935,Fc1cccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6ccc(Cl)cn6)cc5)n34)n2)c1,XDCAUICLWZOAKX-UHFFFAOYSA-N,2,1,0.438,77,177,498.909,4.806,6,0.325,0.71,1.0,0.4789082311013639,0.5585120964978412,0.6632855870056884,0.726792200671647,0.6068745288191351
EOS-2-44936,Cn1cc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(Oc6cccc(F)c6)cc5)n34)cn2)nn1,UOFGOKGBHMSHGK-UHFFFAOYSA-N,2,1,0.415,3,586,498.909,5.234,6,0.321,0.75,1.0,0.21124323212939483,0.4451545473236927,0.7659601809334521,0.8118017956274416,0.5585399390034953
EOS-2-44937,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccnc(-c4cc5ccncc5nn4)c3)n12,TUTLLSZMXLSLAC-UHFFFAOYSA-N,2,1,0.559,11,583,498.909,4.606,6,0.328,0.51,0.999,0.8367572476183949,0.8939157699952025,0.7294051127407306,0.7710832019738195,0.8077903330820368
EOS-2-44938,Cc1ccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cc5F)n34)ccc2Cl)nn1,QMBVBZQNABQPHG-UHFFFAOYSA-N,2,1,0.31,3,745,498.913,4.207,6,0.355,0.66,1.0,0.257221917620451,0.4629737509423617,0.5086183263655678,0.5824052498115276,0.45280481118497706
EOS-2-44939,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5nnn(Cc6c(F)cccc6Cl)n5)n34)cc2)n1,ORJANUQRTSQKNT-UHFFFAOYSA-N,2,1,0.349,3,973,498.913,4.051,6,0.35,0.71,0.974,0.20009766294291,0.3759337948050168,0.3383506956342951,0.48146974162154754,0.3489629737509424
EOS-2-44940,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)cc5Cl)n34)cc2F)nn1,XLBIQBHNJSBRSX-UHFFFAOYSA-N,2,1,0.307,98,424,498.913,4.207,6,0.355,0.69,0.995,0.12809265985881707,0.2768230416009869,0.5291960797752039,0.5759200877253101,0.3775079672400795
EOS-2-44941,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCOCc5ccc(F)c(Cl)n5)n34)cn2)s1,DTJFSUFMDAYENR-UHFFFAOYSA-N,2,1,0.446,58,617,498.931,3.796,5,0.233,0.72,0.814,0.5743266397094099,0.6252398738948667,0.24689877321636625,0.27415016105818657,0.4301538619697074
EOS-2-44942,Cc1cc(COc2cncc3nnc(-c4ccc(Cl)c(C)c4)n23)n(-c2cccc(-c3nnco3)c2)n1,XFVQZFJNPCWFTI-UHFFFAOYSA-N,2,1,0.424,81,177,498.934,4.876,6,0.32,0.56,0.989,0.34786854910561305,0.5121136316907683,0.5047375094236173,0.4783856486875471,0.4607763347268864
EOS-2-44943,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncnn6C)cc5Cl)n34)cc2)o1,JVVWSJILFPIGLL-UHFFFAOYSA-N,2,1,0.517,40,755,498.934,4.783,6,0.322,0.72,1.0,0.6764186827496402,0.6208107737646494,0.5760999931464601,0.5169196765129189,0.5975622815434172
EOS-2-44944,COc1cc(-c2nnc3cncc(OCCc4cnc5ccc(Cl)cc5n4)n23)ccc1-c1cn[nH]c1,YFQUBMJQPBERDR-UHFFFAOYSA-N,2,1,0.431,15,103,498.934,4.408,6,0.344,0.5,1.0,0.8088205057912412,0.7582413816736344,0.5527893907203071,0.540255979713522,0.6650268144746762
EOS-2-44945,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,BQBWYDRDIMIDCO-UHFFFAOYSA-N,2,1,0.56,77,755,498.934,4.783,6,0.322,0.72,1.0,0.6115670618874649,0.6592077307929546,0.38370399561373447,0.4059265985881708,0.5151013467205812
EOS-2-44946,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,HXNKOERRORDPKU-UHFFFAOYSA-N,2,1,0.56,67,755,498.934,4.783,6,0.322,0.67,1.0,0.6516003015557535,0.6640651771640053,0.39097731478308545,0.42219518881502294,0.5322094955794668
EOS-2-44947,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ncc(-c4cnc(C)n4C)cc3Cl)n12,HQABOUCPMQZAHQ-UHFFFAOYSA-N,2,1,0.277,82,478,498.938,4.009,6,0.378,0.66,0.989,0.27329346857651976,0.32281029401685973,0.3236155849496265,0.277311356315537,0.29925767596463576
EOS-2-44948,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnn(Cc6ccc(Cl)cc6)n5)n34)cc2)n1,UCXYFPDSLTWCGV-UHFFFAOYSA-N,2,1,0.489,67,807,498.938,3.459,6,0.329,0.64,1.0,0.41532451511205537,0.5721078061818929,0.18711020492084163,0.2624905763827017,0.3592582756493729
EOS-2-44949,CC(C)N=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5Cl)n34)cc2)o1,NAACBFPGPFQMHV-UHFFFAOYSA-N,2,1,0.289,9,7,498.938,4.189,6,0.363,0.4,1.0,0.2248732095127133,0.2355989993831814,0.3946610924542526,0.342325748749229,0.29936476252484406
EOS-2-44950,Cn1nc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)cc1-c1ccc(Cl)cc1,MFESLOIYFGQVEY-UHFFFAOYSA-N,2,1,0.484,43,402,498.938,3.615,6,0.342,0.7,1.0,0.45251353574121034,0.567541635254609,0.27210266602700295,0.34869954081282983,0.410214344458913
EOS-2-44951,CCn1nc(-c2nncn2C)cc1Oc1cncc2nnc(-c3ccc(Cl)c(-c4ccccn4)c3)n12,LBIVCEHCHJIGDQ-UHFFFAOYSA-N,2,1,0.356,67,622,498.938,4.311,6,0.333,0.64,0.991,0.38232472071825097,0.6016808306490302,0.1614865327941882,0.22103522719484614,0.34163182783907886
EOS-2-44952,Cn1cc(-c2ccc(COc3cncc4nnc(-c5cc(-c6ncnn6C)ccc5Cl)n34)nc2)cn1,VEKNLCWKCIIICJ-UHFFFAOYSA-N,2,1,0.489,71,549,498.938,3.615,6,0.342,0.68,1.0,0.3430967719827291,0.5827650606538277,0.40548968542252073,0.3683520663422658,0.4249258961003358
EOS-2-44953,Cn1ccc(-c2[nH]ncc2-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2)n1,RZOXBMKZFTZOPV-UHFFFAOYSA-N,2,1,0.431,20,846,498.938,3.647,6,0.353,0.64,1.0,0.6368480570214515,0.6065554108697142,0.31262422040984167,0.3262456308683435,0.4705683297923377
EOS-2-44954,CCn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cc2ccncc2nn1,TYUSLISDYGVZEG-UHFFFAOYSA-N,2,1,0.393,53,466,498.938,3.683,6,0.324,0.59,0.6,0.32346994722774314,0.2715800836131862,0.14580049345486945,0.2210437941196628,0.2404735796038654
EOS-2-44955,CCn1nc(-c2ccc(Cl)nc2)cc1Oc1cncc2nnc(-c3ccc(-c4n[nH]c(C)n4)cc3)n12,DBJGMVRSGBDJII-UHFFFAOYSA-N,2,1,0.356,67,622,498.938,4.609,6,0.33,0.67,1.0,0.3935559591529025,0.5395877595778219,0.23986532794188198,0.22699780686724694,0.3500017133849633
EOS-2-44956,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccc(Cl)cc6)nn5)n34)cn2)cn1,QCAQYYARCCFILS-UHFFFAOYSA-N,2,1,0.535,6,860,498.938,3.883,6,0.326,0.69,1.0,0.16112672195188815,0.3709564114865328,0.28357377835652114,0.31090226852169145,0.2816397950791584
EOS-2-44957,Clc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)nc2)c1,MVMCMJBAHQLELR-UHFFFAOYSA-N,2,1,0.476,41,518,498.959,4.999,6,0.316,0.72,1.0,0.7368240696319649,0.7794873552189706,0.569400657939826,0.5916232609142622,0.669333835926256
EOS-2-44958,Clc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)s2)cc1,QWYKQQQPYNMMHP-UHFFFAOYSA-N,2,1,0.5,77,937,498.959,4.999,6,0.316,0.72,1.0,0.560139812213008,0.7960300870399561,0.4704012747584127,0.559882804468508,0.5966134946199713
EOS-2-44959,Clc1nccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)ns5)n34)cc2)n1,KBVITBYFHVEVAI-UHFFFAOYSA-N,2,1,0.457,12,857,498.959,4.999,6,0.295,0.68,1.0,0.547246590363923,0.6298660132958673,0.30529093276677405,0.37155609622369956,0.46348990816256597
EOS-2-44960,Cn1nc(-c2ccc(-c3cncc4nnc(-c5scnc5-c5cccc(Cl)c5)n34)nc2)ccc1=O,GSCCRUMDUZGYPF-UHFFFAOYSA-N,2,1,0.333,32,572,498.959,4.391,6,0.355,0.74,0.348,0.2084504146391611,0.2664827633472689,0.3016328558700569,0.41891405661023917,0.2988700226166815
EOS-2-44961,Clc1ccc(-c2nn3ccccc3c2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,ZBWDWWNXSQEQGJ-UHFFFAOYSA-N,2,1,0.367,21,452,498.977,7.093,7,0.26,0.81,1.0,0.2679391405661024,0.4988091974504832,0.8603591254883147,0.9244568569666233,0.6378910801178809
EOS-2-44962,Cc1nn(C)c(-c2ccccc2)c1-c1cncc2nnc(-c3ccccc3Cl)n12,ZBGLHYADJNHJLC-UHFFFAOYSA-N,2,1,0.449,96,616,400.873,4.821,5,0.435,0.73,1.0,0.053706051675690494,0.26649133027208555,0.48785210060996503,0.6421081488588856,0.36253940785415667
EOS-2-44963,Fc1ccccc1-c1cncc2nnc(-c3ccc(-c4cccc(Cl)c4)cc3)n12,PYQDKBGEWPVWSF-UHFFFAOYSA-N,2,1,0.448,83,472,400.844,5.918,5,0.377,0.89,1.0,0.44060551024604205,0.7406791857994655,0.9704269755328627,0.9870896443012817,0.784700328969913
EOS-2-44964,Cc1cc(-c2nnc3cncc(-c4cnc(-c5cncnc5)nc4)n23)ccc1Cl,LFFNCBVAPHJNQS-UHFFFAOYSA-N,2,1,0.342,82,761,400.833,3.667,5,0.456,0.79,1.0,0.31092796929614147,0.4540384483585772,0.5694092248646426,0.6130234391062984,0.486849770406415
EOS-2-44965,Cc1ncc(-c2nnc3cncc(-c4ccnc(Cl)c4)n23)c(-c2cccnc2)n1,VJUDYTLOJYVWQN-UHFFFAOYSA-N,2,1,0.308,82,478,400.833,3.667,5,0.426,0.71,1.0,0.2303560413953807,0.287214721403605,0.3946696593790693,0.46933040915632923,0.34539270783359605
EOS-2-44966,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nn1,QEBZPSPIWXPNDW-UHFFFAOYSA-N,2,1,0.423,22,844,400.833,3.667,5,0.456,0.85,1.0,0.2787077650606538,0.49881776437529984,0.43471146597217464,0.5303611815502707,0.43564954423959973
EOS-2-44967,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccn5)nc4)n23)cc1,KUFKOIPBTGLOKZ-UHFFFAOYSA-N,2,1,0.545,13,284,400.829,4.694,5,0.435,0.86,1.0,0.8088290727160579,0.9347457336714413,0.7294136796655473,0.7710917688986362,0.8110200637379207
EOS-2-44968,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5cncnc5)cc4)n23)cc1,SIOGKXPCCWWAJR-UHFFFAOYSA-N,2,1,0.616,13,15,400.829,4.694,5,0.435,0.84,1.0,0.7808751970392708,0.92508224247824,0.8496333356178466,0.8752655746693166,0.8577140874511685
EOS-2-44969,Clc1cccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,BZFQJPMIZMVBHY-UHFFFAOYSA-N,2,1,0.544,13,529,400.829,4.694,5,0.435,0.87,1.0,0.5369405798094716,0.7082448084435611,0.7542234939346172,0.8163336988554588,0.7039356452607772
EOS-2-44970,Clc1ccccc1Oc1cncc2nnc(-c3cc(-c4cccnc4)ccn3)n12,NGTMVTFPUMBIRE-UHFFFAOYSA-N,2,1,0.4,13,110,400.829,4.694,5,0.435,0.85,1.0,0.5161914879035021,0.587836680145295,0.754232060859434,0.8095658282502913,0.6669565142896305
EOS-2-44971,Clc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccccc5)n34)cc2)nn1,XAKFGNDZMMNUBN-UHFFFAOYSA-N,2,1,0.568,79,613,400.829,4.694,5,0.435,0.9,1.0,0.72501028030978,0.7312384346514975,0.7085874854362278,0.7556199026797341,0.73011402576931
EOS-2-44972,Clc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccccc5)n34)c2)nn1,BOAHTXYTDVKMGB-UHFFFAOYSA-N,2,1,0.573,79,613,400.829,4.694,5,0.435,0.89,1.0,0.6226183949009664,0.6546843944897539,0.6958656020834761,0.7505911178123501,0.6809398773216366
EOS-2-44973,Clc1ccccc1Oc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,BXRZFLMQQQGWQU-UHFFFAOYSA-N,2,1,0.393,13,616,400.829,4.694,5,0.435,0.82,1.0,0.5187187307244192,0.535098690973888,0.6958741690082928,0.7609228291412514,0.6276536049619629
EOS-2-44974,Fc1cccc(CCOc2cncc3nnc(Cc4ccc(Cl)cc4)n23)c1F,ULILZHQRDUEHEE-UHFFFAOYSA-N,2,1,0.477,23,906,400.816,4.268,4,0.485,0.84,1.0,0.4334692618737578,0.20543485710369405,0.9390977314783086,0.954638133095744,0.6331599958878761
EOS-2-44975,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1F,VRYTUOLNTQSNQA-UHFFFAOYSA-N,2,1,0.812,23,721,400.816,4.653,4,0.489,0.82,1.0,0.995202522102666,0.9942344595983825,0.9694332122541293,0.9699472277431294,0.9822043554245767
EOS-2-44976,Fc1ccc(CCOc2cncc3nnc(Cc4ccc(Cl)cc4)n23)cc1F,KBXDZUWNZZNOAK-UHFFFAOYSA-N,2,1,0.632,23,86,400.816,4.268,4,0.485,0.85,0.999,0.4811956000274142,0.20544342402851073,0.9443920910150092,0.9578250291275444,0.6472140360496197
EOS-2-44977,Fc1ccc(CCCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,GSPLVBSGAHKHHU-UHFFFAOYSA-N,2,1,0.809,23,86,400.816,4.735,4,0.439,0.8,1.0,0.99976869302995,0.9997172914810499,0.9396888492906587,0.9603180042491947,0.9748732095127133
EOS-2-44978,Cc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12,OTIDXAJFIILAFT-UHFFFAOYSA-N,2,1,0.821,23,86,400.816,4.653,4,0.489,0.83,1.0,0.9861729833458982,0.9912103351380989,0.9598639572339113,0.9644472620108286,0.9754236344321843
EOS-2-44979,COCCOc1ncc(-c2cncc3nnc(-c4ccc(F)cc4Cl)n23)cn1,ZSYGHUMQOQUMMN-UHFFFAOYSA-N,2,1,0.42,90,861,400.801,3.066,4,0.459,0.75,1.0,0.5112912069083682,0.5629840312521417,0.5694177917894593,0.585386539647728,0.5572698923994243
EOS-2-44980,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Br)cn5)n34)cc2)cn1,WYUDEEGZKNDYQN-UHFFFAOYSA-N,2,1,0.482,51,19,499.279,4.181,5,0.346,0.67,1.0,0.579689534644644,0.629874580220684,0.7036272359673772,0.627373038174217,0.6351410972517305
EOS-2-44981,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)ccc1Br,FBZMRMZRYXFZMB-UHFFFAOYSA-N,2,1,0.714,88,6,499.279,3.634,5,0.38,0.72,1.0,0.9633421287094784,0.9468250976629429,0.7681875813857858,0.7806952916181208,0.864762524844082
EOS-2-44982,Cc1cc(Br)ccc1-c1nnc2cncc(OCc3nnnn3-c3cccc(F)c3F)n12,PHGZIDHQHCVXLE-UHFFFAOYSA-N,2,1,0.473,34,612,499.279,3.695,5,0.364,0.73,1.0,0.445197381947776,0.6113271879925982,0.4978240010965664,0.6032999794393804,0.5394121376190802
EOS-2-44983,Cc1nc(-c2ccc(Cl)c(F)c2)cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)n1,XFJSTBNKXZGHTO-UHFFFAOYSA-N,2,1,0.58,59,13,499.308,5.721,5,0.308,0.77,1.0,0.9082225344390378,0.8939243369200192,0.9484956480021931,0.9619714207388116,0.9281534850250154
EOS-2-44984,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cc2F)cn1,NRHXMRDXOVFGJO-UHFFFAOYSA-N,2,1,0.612,88,222,499.308,5.455,5,0.289,0.67,1.0,0.982412103351381,0.982951819614831,0.952933315057227,0.9653981906654787,0.9709238571722294
EOS-2-44985,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)c(Cl)c5)nc4)n23)cc1F,RLIUXGKQUKXYHR-UHFFFAOYSA-N,2,1,0.679,84,360,499.308,5.455,5,0.289,0.72,0.999,0.9768521691453635,0.9827119457199643,0.9543211568775273,0.9632650263861284,0.9692875745322458
EOS-2-44986,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnc(Cl)c(F)c1,NAXLZJUUZHPVDM-UHFFFAOYSA-N,2,1,0.602,88,919,499.308,5.455,5,0.289,0.67,1.0,0.9662720169967788,0.977434720032897,0.9550150777876774,0.9638818449729285,0.9656509149475705
EOS-2-44987,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)c(F)c4)n23)ccc1Cl,UQSTVFPAUXNHIE-UHFFFAOYSA-N,2,1,0.733,88,222,499.308,5.455,5,0.289,0.68,1.0,0.9935148379137825,0.9888458638886986,0.962990884791995,0.9689448975395792,0.9785741210335137
EOS-2-44988,Fc1ncccc1-c1cc(-c2nnc3cncc(OCCc4c(Cl)ccc(Cl)c4F)n23)ccn1,HFMXVISFUWJVGU-UHFFFAOYSA-N,2,1,0.539,88,577,499.308,5.455,5,0.228,0.58,1.0,0.9368103625522582,0.9478959632650263,0.942618737577959,0.9546467000205606,0.9454929408539511
EOS-2-44989,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)c(Cl)c1,VUMMPRWNBYQQKV-UHFFFAOYSA-N,2,1,0.545,88,141,499.308,5.455,5,0.309,0.58,1.0,0.9677455280652457,0.9616030429716949,0.9169522308272222,0.942670139126859,0.9472427352477555
EOS-2-44990,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)c(Cl)c5)nn4)n23)cc1F,SDOATNPSUQZPKS-UHFFFAOYSA-N,2,1,0.662,19,570,499.308,5.455,5,0.309,0.78,0.999,0.9565742581043108,0.9571825097662943,0.9467908299636763,0.9664604893427455,0.9567520217942567
EOS-2-44991,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cnc(Cl)c(-c5ccc(Cl)nc5)c4)n23)c1,KGPJXNIQPBVIOO-UHFFFAOYSA-N,2,1,0.527,88,919,499.308,5.455,5,0.289,0.67,1.0,0.9582019738194778,0.9792423411692139,0.955023644712494,0.9674713864711123,0.9649848365430745
EOS-2-44992,COc1cc(-c2nnc3cncc(OCCOc4ccc(Cl)c(Cl)c4)n23)ccc1-c1nnco1,VKOPIMPJFYDQIF-UHFFFAOYSA-N,2,1,0.506,91,925,499.314,4.615,5,0.283,0.76,1.0,0.9184086080460558,0.762276403262285,0.772745185388253,0.7188934959906792,0.7930809231718183
EOS-2-44993,COc1cc(-c2nnc3cncc(OCc4cc(Cl)nc(Cl)c4)n23)ccc1-c1n[nH]c(=O)n1C,YJQDJMVPHRYCPG-UHFFFAOYSA-N,2,1,0.462,16,718,499.318,3.17,5,0.353,0.55,1.0,0.5112997738331848,0.507864436981701,0.4054982523473374,0.4093962031389213,0.45851466657528617
EOS-2-44994,Clc1nc(Cl)nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)n1,PZSPIXPLKMHSDM-UHFFFAOYSA-N,2,1,0.312,30,301,499.325,4.469,6,0.346,0.69,0.649,0.1664896168871222,0.24099616201768212,0.28727468987732163,0.44102528956205883,0.2839464395860462
EOS-2-44995,Cc1cnc(-c2cc(Br)cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)o1,QEDOSNSLSLJGRF-UHFFFAOYSA-N,2,1,0.313,9,7,499.332,4.969,6,0.365,0.7,1.0,0.26794770749091906,0.3613785895414982,0.5460729216640394,0.5099719004866013,0.4213427797957645
EOS-2-44996,COc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(F)cc5Cl)nn4C)n23)ccc1Cl,TUMVQKFGSBWGIY-UHFFFAOYSA-N,2,1,0.494,34,372,499.333,5.225,5,0.319,0.71,1.0,0.6942378863683092,0.907725652799671,0.8858028921938181,0.8836525940648345,0.8428547563566582
EOS-2-44997,Cn1nccc1-c1cc(Br)c(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,IBQNBNSVOVNHQR-UHFFFAOYSA-N,2,1,0.321,98,7,499.336,3.801,6,0.392,0.64,1.0,0.15841957370982113,0.2306473168391474,0.3761908025495168,0.365122335686382,0.28259500719621683
EOS-2-44998,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)s5)n34)cc2)cc1F,KMAARWQSEGHURY-UHFFFAOYSA-N,2,1,0.57,57,80,499.34,6.14,5,0.292,0.75,1.0,0.9406397779453087,0.9625882393256117,0.957807895277911,0.9590329655266946,0.9550172195188815
EOS-2-44999,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Br)s4)n23)cc1F,OBBKTARLAUCEOM-UHFFFAOYSA-N,2,1,0.511,26,563,499.369,4.776,5,0.337,0.75,1.0,0.882633130011651,0.8084092934000411,0.657802755123021,0.6333441847714344,0.7455473408265368
EOS-2-45000,O=[N+]([O-])c1cc(-c2nnc3cncc(OCc4nnnn4-c4ccc(F)cc4)n23)ccc1OC(F)F,QHOFTXBRAJFXHM-UHFFFAOYSA-N,2,1,0.505,34,612,499.369,2.995,5,0.23,0.72,1.0,0.6282554314303338,0.6252484408196833,0.4808100884106641,0.3651309026111987,0.52486121581797
EOS-2-45001,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)ccc1-c1ccccn1,OIPKIHWXPAPRCC-UHFFFAOYSA-N,2,1,0.473,49,501,499.383,5.247,5,0.302,0.63,0.999,0.7095812487149613,0.6546929614145707,0.4878606675347817,0.5067850044548009,0.5897299705297786
EOS-2-45002,COc1cc(-c2nnc3cncc(OCc4ccc(-c5nnsc5C)cc4Cl)n23)ccc1Cl,YVKCFLBBKLKUCJ-UHFFFAOYSA-N,2,1,0.529,43,67,499.383,5.513,5,0.304,0.68,1.0,0.6793742718113905,0.7960386539647728,0.747267150983483,0.7556284696045508,0.7445771365910492
EOS-2-45003,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1-c1nccs1,SLPUVECOLFLTRI-UHFFFAOYSA-N,2,1,0.588,49,703,499.383,5.247,5,0.302,0.74,0.999,0.7460078130354328,0.6886436844630252,0.5728873963402097,0.5853951065725447,0.6482335001028031
EOS-2-45004,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c(Cl)c2)ccc1=O,OZZCJOKWSVBMBE-UHFFFAOYSA-N,2,1,0.489,37,639,499.383,4.542,5,0.341,0.78,1.0,0.5826622575560277,0.6016893975738469,0.532417243506271,0.6245630868343499,0.5853329963676239
EOS-2-45005,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)c(F)c5)n34)n2)cc1,UWJWBPNGJSJWHU-UHFFFAOYSA-N,2,1,0.539,57,640,499.399,5.609,5,0.283,0.79,1.0,0.9667517647865123,0.9753443903776301,0.9928380508532657,0.9860444794736481,0.9802446713727639
EOS-2-45006,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(OC(F)(F)F)ccc5F)n34)cc2F)cn1,UPMZQJFBFAQOHJ-UHFFFAOYSA-N,2,1,0.395,96,46,499.399,5.706,5,0.289,0.68,1.0,0.8882873003906517,0.9510485915975602,0.9957508052909327,0.9905592488520321,0.9564114865327942
EOS-2-45007,Fc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccc(OC(F)(F)F)cc4)n23)c(F)c1,IBUIRGZEKVSXJZ-UHFFFAOYSA-N,2,1,0.522,57,640,499.399,5.609,5,0.283,0.73,1.0,0.9821379617572477,0.985479062435748,0.9931378932218491,0.987980604482215,0.987183880474265
EOS-2-45008,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)(F)F)cn5)cc4)n23)c1,FSQBKTRTRXGFGA-UHFFFAOYSA-N,2,1,0.539,57,640,499.399,5.609,5,0.283,0.69,1.0,0.9892056747309985,0.982720512644781,0.9952453567267494,0.9919213898978823,0.9897732335001028
EOS-2-45009,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)ccc2F)cn1,JAJSVXCVHIUCCW-UHFFFAOYSA-N,2,1,0.634,1,640,499.399,5.609,5,0.223,0.73,1.0,0.9938660818312659,0.9871239120005483,0.9964961277499829,0.9937547118086492,0.9928102083476116
EOS-2-45010,Fc1ccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)n2)cc1,INQBTZVYNZZNJE-UHFFFAOYSA-N,2,1,0.558,57,640,499.399,5.609,5,0.283,0.78,1.0,0.9806987183880475,0.9829603865396477,0.9917243506270988,0.9860530463984648,0.9853591254883147
EOS-2-45011,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccc5C(F)(F)F)nn4)n23)c(F)c1,GGASUSDAKPXVIL-UHFFFAOYSA-N,2,1,0.516,54,691,499.403,4.562,5,0.316,0.65,0.999,0.8033890754574737,0.8452042354876294,0.9778373654992804,0.9590415324515112,0.8963680522239736
EOS-2-45012,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(OC(F)(F)F)cc5)n34)nc2F)n1,YGTAOZKUVGMPAE-UHFFFAOYSA-N,2,1,0.511,19,442,499.428,4.246,5,0.244,0.74,1.0,0.6253940785415667,0.6640737440888219,0.9382838736207251,0.8660989651154821,0.773462665341649
EOS-2-45013,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Oc6ccccc6)c(F)c5)n34)no2)nc1,SHWKBZPTSYMCHB-UHFFFAOYSA-N,2,1,0.448,28,881,499.437,4.886,6,0.303,0.76,1.0,0.6485761770954698,0.6298831471455006,0.6014837913782468,0.6130320060311151,0.6232437804125831
EOS-2-45014,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(-c6cccnn6)o5)n4)n23)cc1,YMCJLBCBHFBWBG-UHFFFAOYSA-N,2,1,0.429,6,218,499.441,4.21,6,0.315,0.64,0.989,0.7398738948666986,0.5675502021794256,0.5980998560756631,0.5303697484750873,0.6089734253992187
EOS-2-45015,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)nn5)n34)cn2)cn1,QZWDSQHVFWXMAL-UHFFFAOYSA-N,2,1,0.438,80,843,499.445,3.271,6,0.322,0.66,1.0,0.36159276266191487,0.42292337742443975,0.44918956891234324,0.354987663628264,0.39717334315674047
EOS-2-45016,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cncnc6)nn5)n34)cn2)cn1,FXRBELRGABQIHX-UHFFFAOYSA-N,2,1,0.433,6,843,499.445,3.271,6,0.322,0.63,1.0,0.36620176821328215,0.4138938386676719,0.5086268932903845,0.4028596395038037,0.42289553491878557
EOS-2-45017,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cncnc6)n5)n34)cn2)cn1,ALVOLPJPYKKXMU-UHFFFAOYSA-N,2,1,0.37,80,855,499.445,3.271,6,0.322,0.59,1.0,0.39135425947501884,0.43667329175519154,0.4633592625591118,0.35835446508121443,0.4124353197176342
EOS-2-45018,FC(F)n1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cn1,CRBMITSMWXLDAC-UHFFFAOYSA-N,2,1,0.436,6,984,499.445,3.271,6,0.322,0.62,0.818,0.43347782879857444,0.39473819477760264,0.2907699952025221,0.24165581522856555,0.34016045850181614
EOS-2-45019,Cc1ncc(-c2cc(OC(F)F)c(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)nn1,XGCDQXSPICNEIL-UHFFFAOYSA-N,2,1,0.323,98,7,499.445,3.4,6,0.362,0.68,1.0,0.39356452607771913,0.3901206223014187,0.5086354602152011,0.4442464532931259,0.4341417654718662
EOS-2-45020,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nccnn6)c5)n34)nc2)n1,YQNUZRSRNHFREA-UHFFFAOYSA-N,2,1,0.366,6,843,499.445,3.271,6,0.322,0.56,1.0,0.46145740524981155,0.3662189020629155,0.46693167020766224,0.3748115276540333,0.4173548762936057
EOS-2-45021,Cc1nc(C(F)(F)F)ccc1-c1ncn(C)c1-c1cncc2nnc(-c3ccc(C(C)(F)F)cc3)n12,GQBRHENBIRMYOV-UHFFFAOYSA-N,2,1,0.337,66,121,499.447,5.693,5,0.297,0.64,0.207,0.35016448495648,0.39012918922623535,0.9876807621136316,0.95071448152971,0.6696722294565143
EOS-2-45022,COc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)cn5)n34)cn2)c(F)c1,CHEHCIBGPJXFQB-UHFFFAOYSA-N,2,1,0.367,3,673,499.456,5.132,6,0.327,0.78,1.0,0.0844955794667946,0.3518179014460969,0.9356538277020081,0.9234288259886231,0.5738490336508807
EOS-2-45023,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccc6C(F)(F)F)cc5)n34)cc2)o1,JSLVDNZXFAPZOU-UHFFFAOYSA-N,2,1,0.313,69,152,499.456,5.898,6,0.298,0.7,1.0,0.34081796998149544,0.45404701528339386,0.9438095401274759,0.8932732506339525,0.6579869440065794
EOS-2-45024,FC(F)(F)Oc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,MUKUEYCHKMFEQS-UHFFFAOYSA-N,2,1,0.327,30,668,499.456,5.605,6,0.307,0.79,0.993,0.24686450551709957,0.41847714344458914,0.9543297238023439,0.9275666506750737,0.6368095058597766
EOS-2-45025,COc1nc(-c2nnc3cncc(OCCc4cn(C)nc4C(F)(F)F)n23)ccc1-c1ccnn1C,YRLSLWCWXMRNBV-UHFFFAOYSA-N,2,1,0.426,31,460,499.457,2.969,5,0.336,0.61,1.0,0.4383695428688918,0.32743643341786033,0.49783256802138304,0.2593122472757179,0.3807376978959633
EOS-2-45026,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4-c4ccccc4)n23)nc1,WXGKTWKERYZVHG-UHFFFAOYSA-N,2,1,0.349,30,945,499.46,4.73,6,0.346,0.72,1.0,0.23306318963744774,0.3419745048317456,0.7968011102734562,0.7080049345486944,0.519960934822836
EOS-2-45027,Cn1nc(C(F)(F)F)nc1-c1cccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c1,VUDCGNYTPDFYPU-UHFFFAOYSA-N,2,1,0.329,9,171,499.46,4.73,6,0.346,0.79,1.0,0.12515420464670002,0.22028990473579604,0.7881827839078884,0.6828010417380577,0.4541069837571105
EOS-2-45028,FC(F)(F)Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)nn1,YNDWDKCHQKBDEP-UHFFFAOYSA-N,2,1,0.292,30,541,499.46,4.736,6,0.338,0.64,0.344,0.22488177643753,0.2510622986772668,0.6985898841751764,0.6796826811047906,0.463554160098691
EOS-2-45029,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)nn2)nc1C(F)F,FLHRCIYFQBHLKI-UHFFFAOYSA-N,2,1,0.341,3,74,499.46,4.788,6,0.336,0.67,0.426,0.25224453430196697,0.4184857103694058,0.5426375848125556,0.6066325131930642,0.4550000856692482
EOS-2-45030,COc1nc(-c2nnc3cncc(OCc4nnnn4-c4ccc(F)cc4)n23)ccc1-c1ccn(C)n1,DIUGGLXNSUSYBB-UHFFFAOYSA-N,2,1,0.364,49,807,499.47,2.289,6,0.322,0.68,1.0,0.2386916592419985,0.30256665067507366,0.09082653690631211,0.08233671441299431,0.17860539030909464
EOS-2-45031,COc1cc(-c2nncn2C)cc(F)c1-c1cncc2nnc(-c3cnn(C)c3-c3ccc(F)cc3)n12,JZCJNYBNQSKWMP-UHFFFAOYSA-N,2,1,0.33,61,314,499.485,3.941,6,0.354,0.7,1.0,0.30046775409499005,0.4090363922966212,0.5460814885888562,0.5338907545747379,0.44736909738880126
EOS-2-45032,Oc1cc(-c2nnc3cncc(OCc4nc(-c5cncnc5)cs4)n23)ccc1-c1ncc(F)cn1,QHPUVCPTPYYYPI-UHFFFAOYSA-N,2,1,0.454,80,868,499.491,3.586,6,0.362,0.52,0.999,0.6641851141114385,0.6640823110136386,0.3052994996915907,0.2685045576040025,0.4755178706051676
EOS-2-45033,Oc1cc(-c2nnc3cncc(OCc4cncc(-c5csc(F)n5)n4)n23)ccc1-c1cncnc1,XGIBMGVWIMHCJM-UHFFFAOYSA-N,2,1,0.406,80,868,499.491,3.586,6,0.362,0.5,1.0,0.715569529161812,0.6886522513878418,0.39467822630388594,0.3454612432321294,0.5360903125214174
EOS-2-45034,c1cc(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc(-c2ccc(-c3nnco3)cc2)c1,KRBUVDSMZOTOGX-UHFFFAOYSA-N,2,1,0.359,69,152,499.494,5.086,7,0.332,0.59,1.0,0.622626961825783,0.4714721403604962,0.5460900555136728,0.4814783085463642,0.530416866561579
EOS-2-45035,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnn(Cc7ncon7)c6)c5)n34)cn2)nc1,HSBAQJZIXXZGBE-UHFFFAOYSA-N,2,1,0.256,42,106,499.498,3.605,7,0.333,0.46,1.0,0.10163799602494689,0.06555410869714208,0.18711877184565828,0.20363580289219382,0.13948666986498526
EOS-2-45036,c1ccc(Oc2ccc(-c3cn(-c4cncc5nnc(-c6ccc(-c7nc[nH]n7)cc6)n45)nn3)cn2)cc1,PANKLINQYUWCIK-UHFFFAOYSA-N,2,1,0.505,93,465,499.498,4.011,7,0.36,0.64,1.0,0.047255157288739635,0.10582722226029745,0.32005174422589266,0.3109108354465081,0.19601123980535945
EOS-2-45037,CCn1nc(-c2nncn2CCO)cc1Oc1cncc2nnc(-c3ccc(-c4nnn(C)n4)cc3)n12,ZBYGVMOVVFMWOJ-UHFFFAOYSA-N,2,1,0.34,67,789,499.499,1.241,6,0.32,0.6,1.0,0.2708347611541361,0.15471866218902064,0.006459461311767528,0.003683777671167158,0.10892416558152286
EOS-2-45038,Cn1nc(-c2ccccn2)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,JUFSDWXBVDWLKN-UHFFFAOYSA-N,2,1,0.277,70,687,499.502,2.891,7,0.374,0.64,0.972,0.11729833458981564,0.09295113426084572,0.0562846960455075,0.05966006442327462,0.08154855732986088
EOS-2-45039,COc1nccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)c(F)c4)n23)c(F)c1,PWGWQZRFJJZLJL-UHFFFAOYSA-N,2,1,0.314,32,192,499.506,5.326,6,0.317,0.61,1.0,0.5857377835652114,0.6065639777945309,0.7748783496676033,0.7376893290384483,0.6762173600164485
EOS-2-45040,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(F)cc3OCC3CCOC3)n12,IBVZVBMLLXVRAP-UHFFFAOYSA-N,2,1,0.309,61,697,499.506,3.873,6,0.33,0.63,1.0,0.3978479884860531,0.3368857514906449,0.4456514289630594,0.47252587211294633,0.413227760263176
EOS-2-45041,Fc1ccc(-c2csc(COc3cncc4nnc(-c5ccc(-c6ccc(F)cn6)nc5)n34)n2)cc1,GIXAKZWDVBBLTQ-UHFFFAOYSA-N,2,1,0.483,28,177,499.506,5.229,6,0.31,0.78,1.0,0.6310482489205674,0.7960472208895895,0.6714070317318895,0.6942207525186759,0.6981808135151806
EOS-2-45042,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cn5)n34)cs2)cc1,QDYVOCBDLRDXNJ-UHFFFAOYSA-N,2,1,0.426,28,177,499.506,5.229,6,0.29,0.74,1.0,0.5525238160509903,0.6395123706394352,0.7162977177712289,0.7215663765334795,0.6574750702487835
EOS-2-45043,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)nc5)n34)c2)cc1F,VBFPNGKWKBNPDQ-UHFFFAOYSA-N,2,1,0.511,77,177,499.506,5.229,6,0.31,0.74,1.0,0.5715166883695428,0.5971317935713796,0.8414262216434789,0.8402097183195121,0.7125711054759784
EOS-2-45044,Fc1cccc(-c2nnc3cncc(OCc4ncc(F)c(-c5nc(-c6ccccc6)cs5)n4)n23)c1,OVPUIFUXTAALGV-UHFFFAOYSA-N,2,1,0.505,12,177,499.506,5.229,6,0.31,0.71,1.0,0.7155780960866287,0.8163508327050922,0.46336782948392846,0.55015934480159,0.63636402576931
EOS-2-45045,N#Cc1ccccc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)cc1,MIAVAXUKHFCUTQ-UHFFFAOYSA-N,2,1,0.529,12,808,499.509,5.505,6,0.298,0.71,1.0,0.9534387636214104,0.9176204509629223,0.9113066273730381,0.8946782263038859,0.9192610170653142
EOS-2-45046,Fc1ccc(-c2nn(-c3ccccc3)cc2-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1,ABHIYUMLWPMQAC-UHFFFAOYSA-N,2,1,0.354,21,68,499.509,6.105,7,0.284,0.68,1.0,0.08238811596189431,0.28192892879172093,0.7992169830717566,0.8201031457747927,0.49590929340004114
EOS-2-45047,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5-c5ccc6ccccc6n5)n34)nc2)o1,LPUVCMGROSFYCO-UHFFFAOYSA-N,2,1,0.298,30,93,499.509,6.171,7,0.286,0.67,1.0,0.3501730518812967,0.5167569049414023,0.7495630868343499,0.7556370365293674,0.593032520046604
EOS-2-45048,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(N6CCOCC6)nc5)nn4)n23)c1,OWXYCAMTZNYPCE-UHFFFAOYSA-N,2,1,0.413,54,477,499.51,2.636,6,0.331,0.63,0.962,0.25723048454526765,0.03880816941950518,0.016534164896168872,0.04454800904667261,0.08928020697690357
EOS-2-45049,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc7ccnc7cc6)cc5F)n34)nc2)cn1,NWGPKZOAEOPRAK-UHFFFAOYSA-N,2,1,0.302,42,106,499.513,4.955,7,0.338,0.63,1.0,0.18603077239394147,0.312821259680625,0.7061202110890274,0.7109947913097114,0.4789917586183263
EOS-2-45050,COc1cnc(-c2nnc3cncc(OCc4nc(-c5cccnc5)ns4)n23)cc1-c1cnnn1C,AEYBOJWYIVSQSH-UHFFFAOYSA-N,2,1,0.356,80,816,499.52,2.483,6,0.319,0.55,0.987,0.11454835172366527,0.1547272291138373,0.0352614625454047,0.021914193681036254,0.08161280926598588
EOS-2-45051,c1csc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1,FVHHDJBHYMQJKN-UHFFFAOYSA-N,2,1,0.558,35,393,400.467,3.931,5,0.43,0.82,1.0,0.5826708244808444,0.47602974436296347,0.45969261873757794,0.4410338564868755,0.48985676101706527
EOS-2-45052,c1cc(-c2cnccn2)cc(-c2nnc3cncc(OCCc4ccsc4)n23)c1,QIEZGNAFBPFUNB-UHFFFAOYSA-N,2,1,0.579,35,846,400.467,3.931,5,0.43,0.8,1.0,0.6516088684805702,0.5534833116304572,0.442130422863409,0.4189226235350559,0.516536306627373
EOS-2-45053,Cc1cc(COc2cncc3nnc(-c4cccc(-c5ccncn5)c4)n23)cs1,VQCXRDTXMNXPTM-UHFFFAOYSA-N,2,1,0.573,16,506,400.467,4.197,5,0.44,0.73,1.0,0.5601483791378247,0.3947467617024193,0.5358697142073882,0.44756185319717634,0.48458167706120214
EOS-2-45054,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cn1,RDNJPLJBSMSABK-UHFFFAOYSA-N,2,1,0.557,1,230,400.467,4.197,5,0.44,0.81,1.0,0.5796981015694607,0.48457096840518127,0.5460986224384895,0.460026728805428,0.5175986053046399
EOS-2-45055,Cc1ccc(-c2nnc3cncc(OCc4ccsc4)n23)c(-c2ccccn2)n1,ATXPYJITXMJDDZ-UHFFFAOYSA-N,2,1,0.524,24,786,400.467,4.197,5,0.44,0.66,0.999,0.49117606743883213,0.43668185868000825,0.32362415187444316,0.28607532040298816,0.38438934959906795
EOS-2-45056,COc1nc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nc(C)c(F)s4)cc3)n12,SLNFQCZERHBYEH-UHFFFAOYSA-N,2,1,0.312,9,642,499.535,4.228,6,0.347,0.61,1.0,0.3823332876430676,0.3419830717565623,0.17078164622027278,0.12631073949695018,0.25535218627921324
EOS-2-45057,COCCN(C)c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC)nc5)n34)nn2)cn1,NZIZUHONUMELIS-UHFFFAOYSA-N,2,1,0.402,49,348,499.535,2.709,5,0.281,0.65,0.998,0.24383181413199917,0.012773284901651702,0.10288020012336371,0.028056678774587073,0.0968854944829004
EOS-2-45058,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4nc(-c5cccnc5)ns4)n23)ccc1F,FYUULMDHMSPXJQ-UHFFFAOYSA-N,2,1,0.44,80,355,499.535,4.306,6,0.32,0.68,1.0,0.42227229113837295,0.5167654718662189,0.24690734014118293,0.25339250222740045,0.3598344013432938
EOS-2-45059,Cn1c(-c2cnn(Cc3ccccc3)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,IGMVFEZUAFRKAT-UHFFFAOYSA-N,2,1,0.286,3,474,499.542,3.889,7,0.369,0.63,1.0,0.03436193543965458,0.057646837091357685,0.16774895483517235,0.2328575834418477,0.12315382770200808
EOS-2-45060,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(C6CC6)nc5-c5ccc(F)cc5)n34)nc2)n1,HMXDXHJHGYYEAS-UHFFFAOYSA-N,2,1,0.307,32,532,499.553,6.302,7,0.277,0.63,0.949,0.28429340004112125,0.49403742032759923,0.5324258104310876,0.6365139469536015,0.4868176444383524
EOS-2-45061,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)cn1,NJORXRPBAPJNFA-UHFFFAOYSA-N,2,1,0.573,15,460,400.446,2.547,5,0.435,0.72,1.0,0.5601569460626413,0.4540555822082105,0.2505482831882667,0.1730347474470564,0.3594488897265437
EOS-2-45062,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4)n23)n(C)n1,CKLHHMMZVZXBEE-UHFFFAOYSA-N,2,1,0.476,36,662,400.446,2.813,5,0.451,0.72,1.0,0.3616013295867315,0.20097148927421013,0.23987389486669866,0.1516945377287369,0.2385353128640943
EOS-2-45063,Cn1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccn(C)n5)c4)n23)n1,HABBVNPZZQOHPM-UHFFFAOYSA-N,2,1,0.512,15,460,400.446,2.547,5,0.435,0.75,1.0,0.40401617435405385,0.3759423617298335,0.17435405386882324,0.12631930642176684,0.27015797409361936
EOS-2-45064,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccc(CN2CCCC2)nc1,XKVXFZWVAIFIGX-UHFFFAOYSA-N,2,1,0.421,95,235,499.554,3.338,6,0.321,0.62,0.982,0.1717325748749229,0.09917928860256323,0.009175176478651223,0.04328010417380577,0.08084178603248579
EOS-2-45065,Cn1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)n1,XVTAMPOBMQFXEU-UHFFFAOYSA-N,2,1,0.519,15,889,400.446,2.547,5,0.435,0.73,1.0,0.5369491467342883,0.4583476115413611,0.18712733877047494,0.13044856418340073,0.32821816530738124
EOS-2-45066,c1cncc(-c2cccc(-c3ccc(-c4nnc5cncc(-c6ccc(-c7cccs7)nc6)n45)o3)n2)c1,FTYHSEOBBBLIIJ-UHFFFAOYSA-N,2,1,0.28,32,368,499.559,6.299,7,0.274,0.64,1.0,0.07000890960180933,0.13953807141388527,0.5625042834624083,0.5632496059214585,0.33382521759989037
EOS-2-45067,c1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(OCc6ccccc6)cn5)c4)n23)cc1,QWGOTNRSUQDPGC-UHFFFAOYSA-N,2,1,0.654,17,403,499.574,6.054,6,0.241,0.74,1.0,0.6793828387362073,0.4805530806661641,0.7992255499965732,0.7480981426906997,0.6768149030224111
EOS-2-45068,COc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)nc5)n34)cc2)c1,XXDRMBAROAVNIN-UHFFFAOYSA-N,2,1,0.614,21,47,499.574,6.15,6,0.25,0.78,1.0,0.8847063258172846,0.6350233020355014,0.8133952436433418,0.7481067096155164,0.7703078952779111
EOS-2-45069,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)s4)n23)cc1,XCSMMHOHAHSOOB-UHFFFAOYSA-N,2,1,0.486,76,126,400.423,4.49,5,0.325,0.78,1.0,0.10659824549379755,0.03593824960592146,0.38737063943526834,0.23574463710506477,0.191412942910013
EOS-2-45070,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)n1,JPEZOOXTJRDPIT-UHFFFAOYSA-N,2,1,0.658,43,909,400.417,3.91,5,0.447,0.82,1.0,0.8317712973750943,0.788139949283805,0.77488691659242,0.7376978959632651,0.7831240148036461
EOS-2-45071,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,KXNSRVHAZXCBNY-UHFFFAOYSA-N,2,1,0.712,91,273,400.417,3.942,5,0.467,0.71,1.0,0.9614574052498115,0.9332465218285244,0.7633986704132685,0.7556456034541841,0.853437050236447
EOS-2-45072,COc1c(-c2cncc3nnc(-c4ccc(F)cc4)n23)c(-c2ccccc2)nn1C,WJNCNGFQSCIYAI-UHFFFAOYSA-N,2,1,0.435,96,574,400.417,4.007,5,0.456,0.8,1.0,0.447596120896443,0.5675587691042423,0.45970118566239465,0.4967103008703996,0.4928915941333699
EOS-2-45073,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)[nH]4)n23)c1,IWFSINOQXDKRIA-UHFFFAOYSA-N,2,1,0.462,11,275,400.417,3.942,5,0.467,0.66,0.991,0.642664998971969,0.45406414913302723,0.6371907340141183,0.6737115345075732,0.6019078541566719
EOS-2-45074,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cc2)cn1,SCUDSBNICFMEIF-UHFFFAOYSA-N,2,1,0.714,43,322,400.417,3.91,5,0.447,0.82,1.0,0.8007161949146734,0.7582499485984511,0.8367315468439449,0.7943938043999725,0.7975228736892606
EOS-2-45075,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5F)n34)cc2)n1,DKEJJVXDKOJYPP-UHFFFAOYSA-N,2,1,0.57,43,178,400.417,3.91,5,0.447,0.8,1.0,0.8244037420327599,0.7312470015763142,0.777388458638887,0.7350592831197313,0.7670246213419231
EOS-2-45076,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cc2)n1,NGRPZFDPOWJQQR-UHFFFAOYSA-N,2,1,0.704,43,909,400.417,3.91,5,0.447,0.83,1.0,0.8663217051607155,0.804725515728874,0.7881913508327051,0.7455023644712494,0.8011852340483859
EOS-2-45077,Cn1nc(-c2ccccc2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,GEPVYPCQYYXVKB-UHFFFAOYSA-N,2,1,0.582,1,372,400.417,3.91,5,0.447,0.69,1.0,0.7398824617915153,0.7794959221437873,0.6166386813789322,0.6273816050990336,0.6908496676033171
EOS-2-45078,COc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cc4)n23)c(F)c1,VZTNCMPFZBVFJM-UHFFFAOYSA-N,2,1,0.427,96,697,400.417,4.007,5,0.456,0.77,1.0,0.35018161880611337,0.4714807072853129,0.8051024604208074,0.7294393804399972,0.5890510417380577
EOS-2-45079,CCOc1ccc(F)cc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,YPLOZZHPBQZOTF-UHFFFAOYSA-N,2,1,0.367,96,697,400.417,4.386,5,0.473,0.78,1.0,0.4686793228702625,0.5827736275786444,0.794488040572956,0.7505996847371668,0.6491351689397574
EOS-2-45080,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2)cn1,LJMCEOQRXODHSD-UHFFFAOYSA-N,2,1,0.662,43,322,400.417,3.91,5,0.447,0.81,1.0,0.757504626139401,0.7033359605236105,0.8259714892742102,0.7850901240490713,0.7679755499965732
EOS-2-45081,Cn1cc(COc2cncc3nnc(-c4ccccc4)n23)c(-c2cccc(F)c2)n1,NMXMCOXBMBRJMG-UHFFFAOYSA-N,2,1,0.556,43,709,400.417,3.91,5,0.447,0.83,1.0,0.5187272976492359,0.5492683846206565,0.6075577410732643,0.6245716537591666,0.5750312692755808
EOS-2-45082,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)nc1,MGHULVITMAHYJO-UHFFFAOYSA-N,2,1,0.477,31,728,400.406,1.393,5,0.416,0.78,1.0,0.45926427249674456,0.17886882324720718,0.03527002947022137,0.03712905215543828,0.17763304434240285
EOS-2-45083,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4cccnn4)n23)c1,OMBHILNAEZUAGO-UHFFFAOYSA-N,2,1,0.436,92,838,400.406,1.393,5,0.416,0.59,1.0,0.31617092728394214,0.14675998903433624,0.058118017956274415,0.05379172092385717,0.1437101637996025
EOS-2-45084,Cn1nncc1CCOc1cncc2nnc(-c3cncc(-c4ccnnc4)c3)n12,PMFKAUDVCAXDFC-UHFFFAOYSA-N,2,1,0.426,92,349,400.406,1.393,5,0.416,0.69,1.0,0.3109365362209581,0.1467685559591529,0.06611095881022548,0.06944349256390926,0.14831488588856143
EOS-2-45085,Cc1ncc(-c2nnc3cncc(OCc4ccnc(-c5cnn(C)c5)n4)n23)cn1,YSGNAHQDMYKLCC-UHFFFAOYSA-N,2,1,0.451,92,36,400.406,1.659,5,0.433,0.65,1.0,0.24953738605989995,0.13954663833870193,0.05629326297032417,0.027045781646220273,0.11810576725378659
EOS-2-45086,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncncn5)n34)cc2)n(C)n1,KTMIOADJPMZOEZ-UHFFFAOYSA-N,2,1,0.469,36,320,400.406,1.659,5,0.433,0.66,1.0,0.4130457131108217,0.18729011034199164,0.034002124597354536,0.019498320882735933,0.16345906723322595
EOS-2-45087,Cn1nc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1-c1cncnc1,UZIYCTSGRYMTOD-UHFFFAOYSA-N,2,1,0.411,31,569,400.406,1.393,5,0.416,0.65,1.0,0.22489034336234665,0.061441984785141526,0.04222637242135563,0.03831128778013844,0.09171749708724555
EOS-2-45088,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5nccn5C)n34)ncn2)cn1,WACYPDZGOZDZFK-UHFFFAOYSA-N,2,1,0.344,7,296,400.406,1.659,5,0.433,0.66,0.999,0.28975053114933863,0.10583578918511412,0.0422349393461723,0.021922760605852923,0.11493600507161948
EOS-2-45089,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)cn1,SPRBIXRAYAYBSC-UHFFFAOYSA-N,2,1,0.422,53,466,400.406,1.393,5,0.416,0.69,0.985,0.39996401891577,0.12177026934411624,0.048711534507573165,0.040804262901788776,0.15281252141731202
EOS-2-45090,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)nn1,KYRREVYZXSISDP-UHFFFAOYSA-N,2,1,0.477,36,460,400.406,1.393,5,0.416,0.71,1.0,0.38234185456788433,0.2054519909533274,0.0544770749091906,0.05672160921115756,0.17474813241038997
EOS-2-45091,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncnn5C)n34)cn2)cn1,GSTDJWQRFANMFS-UHFFFAOYSA-N,2,1,0.393,51,986,400.406,1.659,5,0.433,0.66,1.0,0.32862723596737714,0.22560996504694675,0.04224350627098897,0.0234990747721198,0.15499494551435816
EOS-2-45092,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cccnn5)n34)nn2C)nn1,CYKVRYNDGWXGIA-UHFFFAOYSA-N,2,1,0.396,53,587,400.406,1.659,5,0.433,0.66,1.0,0.10898841751764786,0.0729473648139264,0.034010691522171205,0.022693783839353027,0.05966006442327462
EOS-2-45093,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)nn2)cn1,GRGWUGHVNFLACC-UHFFFAOYSA-N,2,1,0.374,92,44,400.406,1.834,5,0.42,0.74,1.0,0.15568672469330408,0.0991878555273799,0.04872010143238983,0.03292269207045439,0.08412934343088205
EOS-2-45094,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)nc1,AFADTPCHKBEHBR-UHFFFAOYSA-N,2,1,0.552,31,728,400.406,1.393,5,0.416,0.74,1.0,0.45012336371736,0.21526111986841204,0.02369611404290316,0.022702350764169692,0.17794573709821124
EOS-2-45095,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nn1,JLHPWODLGXACDX-UHFFFAOYSA-N,2,1,0.462,65,324,400.406,1.393,5,0.416,0.73,1.0,0.3361061613323281,0.19148790350215886,0.03527859639503804,0.03080666164073744,0.14841983071756562
EOS-2-45096,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5nnnn5C)n34)cn2)cn1,CBHZTAANWXCQMN-UHFFFAOYSA-N,2,1,0.443,92,728,400.406,1.659,5,0.433,0.8,1.0,0.34310533890754574,0.25599684737166745,0.032605715852237684,0.02705434857103694,0.16469056267562196
EOS-2-45097,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)cc2)nn1,CCRTUNAANFDFQL-UHFFFAOYSA-N,2,1,0.442,36,404,400.406,1.659,5,0.433,0.71,1.0,0.35457645123706394,0.2202984716606127,0.04082139675142211,0.028065245699403742,0.16094039133712562
EOS-2-45098,Cn1nc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccccc3O)n12,IPEJQVNDADMYNM-UHFFFAOYSA-N,2,1,0.448,4,256,400.402,2.266,5,0.478,0.76,0.957,0.3234785141525598,0.22030703858542938,0.060011308340758004,0.05966863134809129,0.1658663731067096
EOS-2-45099,COc1ccncc1-c1nnc2cncc(OCc3ccc(-n4cccn4)cn3)n12,OEWFFKSJBWAKQA-UHFFFAOYSA-N,2,1,0.483,92,547,400.402,2.355,5,0.428,0.73,1.0,0.18044513741347407,0.08677438146802824,0.2721112329518196,0.16490473579603865,0.17605887190734015
EOS-2-45100,N#Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4F)n23)cn1,ATZQRBBVHYXWID-UHFFFAOYSA-N,2,1,0.317,82,478,400.402,3.383,5,0.457,0.72,1.0,0.2733020355013364,0.390137756151052,0.5947930230964293,0.6187804125830991,0.4692533068329792
EOS-2-45101,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5c[nH]nn5)n4)n23)cc1,ZNLOEVACMKHZAS-UHFFFAOYSA-N,2,1,0.5,89,268,400.402,2.043,5,0.443,0.68,0.982,0.5135871427592351,0.3997412788705366,0.36468542252073194,0.2982146528682064,0.3940571242546775
EOS-2-45102,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(O)cc5)n34)cn2)cn1,XSRXINFRKFJBFL-UHFFFAOYSA-N,2,1,0.461,92,399,400.402,2.266,5,0.478,0.63,1.0,0.4063549448290042,0.25107086560208347,0.2835823452813378,0.20364436981701048,0.286163131382359
EOS-2-45103,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(O)n5)n34)cn2)cn1,IMWJNBOYTPEJJI-UHFFFAOYSA-N,2,1,0.446,92,860,400.402,2.266,5,0.478,0.64,0.999,0.3081351518059077,0.20546055787814407,0.2647436776094853,0.16743197861695566,0.2364428414776232
EOS-2-45104,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)n1,IGXKVZRYXOVKAJ-UHFFFAOYSA-N,2,1,0.571,65,981,400.402,2.561,5,0.424,0.79,1.0,0.4862072510451648,0.3567181824412309,0.10828592968268111,0.08572064971557809,0.2592330032211637
EOS-2-45105,Cc1nnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)o1,ZNPZASFGDQEVHV-UHFFFAOYSA-N,2,1,0.482,87,529,400.402,2.561,5,0.424,0.73,1.0,0.38690802549516823,0.2410047289424988,0.05448564183400727,0.0627270235076417,0.186281354944829
EOS-2-45106,OCc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccncc5)n4)n23)cc1,ZHSATOSMPHMQAS-UHFFFAOYSA-N,2,1,0.517,89,975,400.402,1.838,5,0.459,0.74,1.0,0.3408265369063121,0.21025803577547802,0.26135117538208485,0.21556952916181207,0.2570013193064218
EOS-2-45107,Cn1cnc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)nc4)n23)n1,SHCSLIUSSRUWCR-UHFFFAOYSA-N,2,1,0.459,4,700,400.402,2.686,5,0.428,0.81,1.0,0.2628760879994517,0.1828867109862244,0.1335412240422178,0.10574155301213077,0.17126139401000615
EOS-2-45108,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cnco5)n34)c2)cn1,VJOGCYSXGIGRLC-UHFFFAOYSA-N,2,1,0.44,18,840,400.402,2.561,5,0.424,0.68,1.0,0.42456822698923996,0.14677712288396957,0.16149509971900486,0.1127064628880817,0.21138672812007403
EOS-2-45109,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)o1,FHWQNVVYCJTEHL-UHFFFAOYSA-N,2,1,0.558,87,838,400.402,2.561,5,0.424,0.72,1.0,0.4292629017887739,0.24605064765951615,0.08849633335617847,0.07119971215132616,0.20875239873894866
EOS-2-45110,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(O)c5)n34)cc2)n1,MREVOIIVUXJFAO-UHFFFAOYSA-N,2,1,0.57,43,258,400.402,2.266,5,0.478,0.76,1.0,0.5886077033787952,0.3179956822698924,0.23612158179699816,0.20365293674182716,0.3365944760468782
EOS-2-45111,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(O)cn5)n34)cn2)c1,QFRUUQBAYFNBDJ-UHFFFAOYSA-N,2,1,0.483,7,823,400.402,2.266,5,0.478,0.56,1.0,0.3913628263998355,0.31800424919470904,0.25055685011308343,0.16744054554177232,0.28184111781235005
EOS-2-45112,COc1cc(-c2nnc3cncc(OCc4cnccn4)n23)ccc1-c1cn[nH]c1,UUOUWXPMCVBGFU-UHFFFAOYSA-N,2,1,0.478,16,815,400.402,2.559,5,0.462,0.63,1.0,0.44061407717085876,0.31282982660544173,0.40889932149955455,0.27731992324035365,0.3599157871290522
EOS-2-45113,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(O)cc4)n23)cn1,FOJPYPHGJFQWNA-UHFFFAOYSA-N,2,1,0.561,36,250,400.402,2.266,5,0.478,0.66,1.0,0.5797066684942773,0.2256185319717634,0.21462716743197863,0.1756219587416901,0.29889358165992735
EOS-2-45114,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(O)cc4)n23)cc1,OUJULPVAKQMSQE-UHFFFAOYSA-N,2,1,0.592,43,402,400.402,2.266,5,0.478,0.74,1.0,0.5037266122952505,0.2768316085258036,0.24691590706599958,0.2270063737920636,0.3136201254197793
EOS-2-45115,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4cnccn4)n23)nc1,GWLGYVFTZMIRFJ-UHFFFAOYSA-N,2,1,0.444,7,535,400.402,2.827,5,0.439,0.72,1.0,0.2495459529847166,0.16236892605030498,0.122524158727983,0.0790127475841272,0.15336294633678296
EOS-2-45116,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)no1,KHSILPOMGVLERZ-UHFFFAOYSA-N,2,1,0.583,87,579,400.402,2.561,5,0.424,0.77,1.0,0.4406226440956754,0.41390240559248853,0.058126584881091084,0.04868583373312316,0.24033436707559458
EOS-2-45117,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccn2)on1,UQTIIUNSZSECFE-UHFFFAOYSA-N,2,1,0.482,75,454,400.402,2.561,5,0.424,0.67,1.0,0.415333082036872,0.2460592145843328,0.07887567678706052,0.059677198272907954,0.19998629292029332
EOS-2-45118,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)no1,ISYFFQXBCRCJPG-UHFFFAOYSA-N,2,1,0.552,65,981,400.402,2.561,5,0.424,0.77,1.0,0.4592728394215612,0.3997498457953533,0.1002758549790967,0.08234528133781098,0.26041095538345554
EOS-2-45119,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)o1,OZKKVLJQQOYKAP-UHFFFAOYSA-N,2,1,0.531,65,981,400.402,2.561,5,0.424,0.76,1.0,0.5294359536700706,0.37096497841134946,0.09525563703652937,0.07902131450894387,0.26866947090672333
EOS-2-45120,Cc1noc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n1,HDDSLHRQUHKSPC-UHFFFAOYSA-N,2,1,0.512,65,858,400.402,2.561,5,0.424,0.7,1.0,0.5011993694743335,0.2510794325269001,0.12253272565279967,0.09941916249742992,0.2435576725378658
EOS-2-45121,Cc1noc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n1,NDUZEDIPDBOXIF-UHFFFAOYSA-N,2,1,0.519,20,846,400.402,2.561,5,0.424,0.73,1.0,0.45013193064217666,0.3076811047906244,0.09083510383112878,0.07120827907614283,0.22996410458501815
EOS-2-45122,Cc1cnc(-c2nnc3cncc(OCc4ccc(-c5ncoc5C)cn4)n23)nc1,LVLZPAMSWSYXNO-UHFFFAOYSA-N,2,1,0.467,7,85,400.402,2.827,5,0.439,0.65,1.0,0.3136693852374752,0.15473579603865398,0.08366458775957782,0.051247344253306834,0.15082927832225346
EOS-2-45123,N#Cc1ccc(-c2nnc3cncc(-c4nnc(-c5cncc(F)c5)s4)n23)cc1,XRDOCEUQILLZBT-UHFFFAOYSA-N,2,1,0.459,74,216,400.402,3.383,5,0.457,0.76,1.0,0.25458330477691726,0.44072544719347545,0.4808186553354808,0.5946216846000959,0.44268727297649235
EOS-2-45124,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(O)c4)n23)n1,FNEVAHVKSSVDMD-UHFFFAOYSA-N,2,1,0.44,36,506,400.402,2.266,5,0.478,0.6,1.0,0.3335703515865945,0.2306558837639641,0.14894455486258654,0.12426324446576657,0.2093585086697279
EOS-2-45125,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(CO)cc3)n12,UQMFIABAFKXENZ-UHFFFAOYSA-N,2,1,0.362,62,697,400.398,3.009,5,0.479,0.77,1.0,0.4245767939140566,0.20546912480296073,0.622472757179083,0.4846737715029813,0.4342981118497704
EOS-2-45126,COc1ccc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)nc1,DQCKEMQKWBRUKI-UHFFFAOYSA-N,2,1,0.612,1,61,400.398,3.429,5,0.427,0.76,1.0,0.4739736824069632,0.36138715646631486,0.4704098416832294,0.3046141457062573,0.4025962065656912
EOS-2-45127,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5conn5)cc4)n23)cc1,YKFVTLYYUDYGLF-UHFFFAOYSA-N,2,1,0.645,43,909,400.398,2.913,5,0.463,0.77,1.0,0.6485847440202864,0.3518264683709136,0.6685285449934891,0.5792526214789939,0.5620480947159208
EOS-2-45128,COc1cc(-c2nnc3cncc(OCc4ccncc4)n23)ccc1-c1ccno1,OQNVBEILUDLZOB-UHFFFAOYSA-N,2,1,0.519,97,103,400.398,3.429,5,0.427,0.73,1.0,0.43348639572339115,0.25600541429648416,0.5884363648824618,0.42521074635049005,0.42578473031320674
EOS-2-45129,Oc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cocn1,WFZRAADXQIBLBS-UHFFFAOYSA-N,2,1,0.614,11,796,400.398,3.168,5,0.463,0.52,1.0,0.5999931464601467,0.4274467137276403,0.37232711945719965,0.3077582071139744,0.42688129668974023
EOS-2-45130,COc1cc(-c2nnc3cncc(OCc4ccncc4)n23)ccc1-c1ncco1,HUJKXEDZUNBJCT-UHFFFAOYSA-N,2,1,0.5,97,383,400.398,3.429,5,0.427,0.72,1.0,0.5087382633130012,0.2356075663079981,0.5157631416626688,0.34546981015694606,0.4013946953601535
EOS-2-45131,O=c1[nH]cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)o1,DTPOSICLZUEXEH-UHFFFAOYSA-N,2,1,0.634,1,922,400.398,2.756,5,0.466,0.7,1.0,0.7002604345144267,0.4940459872524159,0.3535741210335138,0.3012216434788568,0.4622755465698033
EOS-2-45132,COc1cccc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)n1,IQJGVWBHAZGNQF-UHFFFAOYSA-N,2,1,0.549,1,744,400.398,3.429,5,0.427,0.77,1.0,0.5087468302378179,0.3709735453361661,0.4597097525872113,0.30462271263107393,0.4110132101980673
EOS-2-45133,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cc4)n23)cc1,WCGUIASAUKOFPW-UHFFFAOYSA-N,2,1,0.645,43,909,400.398,2.913,5,0.463,0.75,1.0,0.7782023164964704,0.4366904256048249,0.6339781372078679,0.5265146323075869,0.5938463779041876
EOS-2-45134,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccoc5)n34)c2)cn1,VZADENKRASGDFQ-UHFFFAOYSA-N,2,1,0.449,18,160,400.398,2.913,5,0.463,0.74,1.0,0.3913713933246522,0.17887739017202384,0.5222654375985196,0.4285261462545405,0.38026009183743403
EOS-2-45135,COc1cc(-c2nnc3cncc(OCc4ccncc4)n23)ccc1-c1ccon1,NZYCAFCBTMJSAW-UHFFFAOYSA-N,2,1,0.5,97,383,400.398,3.429,5,0.427,0.77,1.0,0.47111232951819615,0.23561613323281475,0.562512850387225,0.4059351655129875,0.41879411966280583
EOS-2-45136,OCc1ccc(-c2nnc3cncc(Oc4ccc(-c5cnn(O)c5)cc4)n23)cc1,HAJFYWAZTBLIEG-UHFFFAOYSA-N,2,1,0.519,1,528,400.398,3.177,5,0.436,0.7,1.0,0.5715252552943595,0.43669899252964156,0.7448084435610993,0.6392553628949352,0.5980720135700089
EOS-2-45137,FC(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)cc1,CJFRWDIZIVRIQS-UHFFFAOYSA-N,2,1,0.365,96,57,400.392,4.853,5,0.431,0.84,1.0,0.32348708107737645,0.4229319443492564,0.9418134466451923,0.9296569803303406,0.6544723631005415
EOS-2-45138,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cc(F)cc(F)c5)n34)cc2)n1,ISIWWKCBPSNDHZ-UHFFFAOYSA-N,2,1,0.4,96,558,400.392,4.502,5,0.446,0.8,1.0,0.3478771160304297,0.4845795353299979,0.8757967240079501,0.8823075868686177,0.6476402405592488
EOS-2-45139,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(F)nc5F)n34)cn2)c1,LLVDSAMGGPXZAR-UHFFFAOYSA-N,2,1,0.317,96,46,400.392,4.502,5,0.417,0.92,1.0,0.31367795216229183,0.47148927421012954,0.8477657460078131,0.8494191624974299,0.6205880337194161
EOS-2-45140,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)n5)nc4)n23)cc1F,LDLYHRSTORLOFM-UHFFFAOYSA-N,2,1,0.35,96,140,400.392,4.502,5,0.417,0.76,1.0,0.3683863340415324,0.512122198615585,0.8769275580837502,0.8724384894798163,0.657468645055171
EOS-2-45141,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5cccc(F)c5)n34)c2)cc1,XGCGMXUOAGEMDN-UHFFFAOYSA-N,2,1,0.667,83,163,400.388,5.529,5,0.398,0.89,1.0,0.8641971078061819,0.8914656294976355,0.9643444589130286,0.9737680762113632,0.9234438181070523
EOS-2-45142,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(F)cc5)c4)n23)cc1,VVKTZYINHGBQCK-UHFFFAOYSA-N,2,1,0.657,83,163,400.388,5.529,5,0.398,0.88,1.0,0.9050013707079707,0.8985761770954698,0.9665889932149956,0.9746504694674799,0.936204252621479
EOS-2-45143,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,MGFOIXLKMSTWJA-UHFFFAOYSA-N,2,1,0.482,55,540,400.377,2.756,5,0.444,0.81,1.0,0.8163765334795422,0.7540093208142006,0.5222740045233363,0.472534439037763,0.6412985744637105
EOS-2-45144,Fc1ccccc1-c1nnc2cncc(OCc3cnnc(-c4cnccn4)c3)n12,ZDMKOZYTGSQCPV-UHFFFAOYSA-N,2,1,0.518,55,540,400.377,2.756,5,0.444,0.62,1.0,0.7250188472345966,0.7219518881502296,0.4491981358371599,0.46003529573024465,0.5890510417380577
EOS-2-45145,Fc1ccc(-c2ncnc(COc3cncc4nnc(-c5ccncc5)n34)n2)cc1,NRICRGZFZWDHMW-UHFFFAOYSA-N,2,1,0.557,97,335,400.377,2.756,5,0.444,0.74,1.0,0.7187906928928792,0.7266037283256802,0.3457268179014461,0.36513946953601534,0.5390651771640053
EOS-2-45146,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccncn5)n34)cn2)ccn1,KPTKWXKESKXWRE-UHFFFAOYSA-N,2,1,0.456,55,390,400.377,2.756,5,0.415,0.79,1.0,0.5294445205948872,0.6163645397847989,0.5047460763484339,0.4538499760126105,0.5261012781851826
EOS-2-45147,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccncc5)n34)cn2)c1,CKDKWGQTBGSKAL-UHFFFAOYSA-N,2,1,0.53,7,85,400.377,2.756,5,0.444,0.7,1.0,0.552532382975807,0.5442738674525393,0.45971831951202796,0.434959906791858,0.49787111918305804
EOS-2-45148,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)ccn1,DAEMUXZMLKZPQA-UHFFFAOYSA-N,2,1,0.518,7,85,400.377,2.756,5,0.415,0.74,1.0,0.5369577136591049,0.5629925981769583,0.44213898978822563,0.40940477006373793,0.4878735179220067
EOS-2-45149,Fc1ccccc1-c1nnc2cncc(OCc3cnc(-c4ccncn4)nc3)n12,SHVCFNCOECDPMM-UHFFFAOYSA-N,2,1,0.536,16,242,400.377,2.756,5,0.444,0.7,1.0,0.857283599479131,0.7669796449866356,0.3837125625385512,0.3873620725104516,0.5988344698786925
EOS-2-45150,Fc1ccc(COc2cncc3nnc(-c4cnnc(-c5ccccc5)n4)n23)nc1,KGFRMSGBHQGIQA-UHFFFAOYSA-N,2,1,0.5,4,700,400.377,2.756,5,0.444,0.73,1.0,0.47398224933177985,0.4988263313001165,0.28359091220615446,0.3361489959564115,0.3981371221986156
EOS-2-45151,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5cccnc5)n34)nn2)c1,ISXMANTWBCXXEV-UHFFFAOYSA-N,2,1,0.524,2,875,400.377,2.756,5,0.444,0.75,1.0,0.5499708724556234,0.582782194503461,0.4161212391200055,0.41573572750325544,0.49115250839558633
EOS-2-45152,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)nc1,HXLPZQFNGIQGBQ-UHFFFAOYSA-N,2,1,0.523,24,786,400.377,2.756,5,0.444,0.73,1.0,0.6254026454663834,0.6690168597080393,0.4563857857583442,0.4157442944280721,0.5416373963402098
EOS-2-45153,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)c1,ONBXBSRHGRZEOK-UHFFFAOYSA-N,2,1,0.523,24,786,400.377,2.756,5,0.444,0.7,1.0,0.5687924062778426,0.6494157357275032,0.4597268864368446,0.4316959084367076,0.5274077342197245
EOS-2-45154,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cn1,DLCJWVUDDKFQLX-UHFFFAOYSA-N,2,1,0.488,7,815,400.377,2.756,5,0.444,0.73,1.0,0.7065828250291275,0.7082533753683777,0.4597354533616613,0.41575286135288875,0.5725811287780138
EOS-2-45155,Fc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1cncnc1,JUVXPHSVCHHUJL-UHFFFAOYSA-N,2,1,0.542,4,817,400.377,2.756,5,0.444,0.69,1.0,0.7065913919539442,0.6933811938866424,0.5527979576451237,0.5368634774861216,0.622408505242958
EOS-2-45156,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)nc1,AZDFZIVYJYFVTR-UHFFFAOYSA-N,2,1,0.466,46,435,400.377,2.756,5,0.444,0.74,1.0,0.5135957096840518,0.5303954492495374,0.4978411349461997,0.4693389760811459,0.5027928174902336
EOS-2-45157,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)nc1,CVTZPVCUVSVTGY-UHFFFAOYSA-N,2,1,0.518,55,817,400.377,2.756,5,0.444,0.71,1.0,0.5659738880131588,0.6640908779384552,0.5086440271400178,0.46628915084641215,0.551249485984511
EOS-2-45158,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncn5)cn4)n23)nc1,ZNZRKULEPSTGGJ-UHFFFAOYSA-N,2,1,0.467,46,162,400.377,2.756,5,0.444,0.75,1.0,0.544745048317456,0.5351072578987047,0.45296758275649374,0.41576142827770546,0.48714532931259
EOS-2-45159,COc1ccc(-c2cnc(-c3nnc4cncc(-c5ccncc5)n34)nn2)cc1F,DIHREHSTGVQPQD-UHFFFAOYSA-N,2,1,0.342,50,478,400.377,2.853,5,0.454,0.73,1.0,0.3637344938660818,0.35183503529573024,0.41224042217805495,0.4157699952025221,0.3858949866355973
EOS-2-45160,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncnc5)n34)nc2)cn1,QRLIGHRJFBALHL-UHFFFAOYSA-N,2,1,0.414,46,959,400.377,2.756,5,0.415,0.77,1.0,0.7310842300047975,0.5878452470701118,0.5358782811322048,0.4935062709889658,0.58707850729902
EOS-2-45161,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c1,CDWMEGFUKYLMCP-UHFFFAOYSA-N,2,1,0.524,54,670,400.377,2.756,5,0.444,0.75,1.0,0.47891679802618053,0.5032811322047838,0.3798917140703173,0.40286820642862037,0.4412394626824755
EOS-2-45162,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5cccnc5)n34)n2)cn1,OYDSRZXGODUBLX-UHFFFAOYSA-N,2,1,0.433,55,879,400.377,2.756,5,0.415,0.77,1.0,0.5886162703036119,0.635031868960318,0.36830066479336576,0.3520577753409636,0.4860016448495649
EOS-2-45163,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)nc1,POCCVWBOJIZRSF-UHFFFAOYSA-N,2,1,0.488,46,242,400.377,2.756,5,0.444,0.74,1.0,0.6171269960934823,0.6016979644986635,0.3383592625591118,0.32625419779316017,0.4708596052361045
EOS-2-45164,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4ccnnc4)n23)nn1,FXTDQXPKYUFKMU-UHFFFAOYSA-N,2,1,0.442,54,691,400.377,2.756,5,0.444,0.76,1.0,0.6883866767185252,0.6065725447193475,0.4421475567130423,0.4783942156123638,0.5538752484408197
EOS-2-45165,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)nc2)c1,PZIZSCXVRTYJHB-UHFFFAOYSA-N,2,1,0.437,2,119,400.377,2.756,5,0.444,0.79,1.0,0.5369662805839216,0.5395963265026387,0.45639435268316086,0.447570420121993,0.4951318449729285
EOS-2-45166,Cc1ncc(Oc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)cc1F,GZTVUXDXTAXJSJ-UHFFFAOYSA-N,2,1,0.424,75,441,400.377,3.278,5,0.453,0.65,1.0,0.6702933315057227,0.6494243026523199,0.5528065245699404,0.4725430059625797,0.5862667911726407
EOS-2-45167,Fc1ccccc1-c1nnc2cncc(OCc3ncc(-c4cncnc4)cn3)n12,HVIAOYFQUXTSGX-UHFFFAOYSA-N,2,1,0.551,51,969,400.377,2.756,5,0.444,0.71,1.0,0.657597148927421,0.7266122952504969,0.44215612363785894,0.44425502021794255,0.5676551470084298
EOS-2-45168,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnc5)n34)nn2)cn1,WLAPCZSJJPUCMM-UHFFFAOYSA-N,2,1,0.443,54,411,400.377,2.756,5,0.415,0.77,0.998,0.6545987252415872,0.5215201151394695,0.4347200328969913,0.42853471317935715,0.5098433966143513
EOS-2-45169,Fc1cnccc1-c1ccc(-c2nnc3cncc(OCc4cnccn4)n23)nc1,LSJLOFKKRFEXKR-UHFFFAOYSA-N,2,1,0.448,2,119,400.377,2.756,5,0.444,0.7,1.0,0.5659824549379755,0.567567336029059,0.47041840860804607,0.45385854293742717,0.514456685628127
EOS-2-45170,Fc1cccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nn4)n23)c1,ZSEXAKNGXNLLCT-UHFFFAOYSA-N,2,1,0.56,4,817,400.377,2.756,5,0.444,0.72,1.0,0.5087553971626345,0.5971403604961962,0.459744020286478,0.46315365636351175,0.5071983585772051
EOS-2-45171,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cn1,OLNKCKMEXUUNMX-UHFFFAOYSA-N,2,1,0.506,55,242,400.377,2.756,5,0.415,0.77,1.0,0.7865979028168049,0.6933897608114591,0.40550681927215404,0.365148036460832,0.5626606298403125
EOS-2-45172,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)c1,ZIDLGPYBPXGLCL-UHFFFAOYSA-N,2,1,0.566,4,22,400.377,2.756,5,0.444,0.7,1.0,0.682252758549791,0.6163731067096155,0.5392793502844219,0.520192241792886,0.5895243643341785
EOS-2-45173,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)nc1,HDWBYCMCUVPMCF-UHFFFAOYSA-N,2,1,0.554,4,22,400.377,2.756,5,0.444,0.78,1.0,0.7520046604071002,0.639520937564252,0.5358868480570215,0.5067935713796176,0.6085515043519978
EOS-2-45174,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)cc1,VFUANHXAPGWLQN-UHFFFAOYSA-N,2,1,0.549,51,335,400.377,2.756,5,0.444,0.73,1.0,0.8530087039956137,0.8610701802480981,0.4237629360564732,0.4252193132753067,0.640765283393873
EOS-2-45175,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)n1,SZZWOMVLLWVCGC-UHFFFAOYSA-N,2,1,0.483,54,670,400.377,2.756,5,0.415,0.74,1.0,0.5136042766088684,0.48056164759098075,0.34573538482626276,0.3583630320060311,0.4245660852580358
EOS-2-45176,Fc1ccccc1-c1nnc2cncc(OCc3ccc(-c4ncccn4)nn3)n12,CSUFZZRVELJJMO-UHFFFAOYSA-N,2,1,0.53,4,820,400.377,2.756,5,0.444,0.76,1.0,0.5886248372284285,0.6494328695771366,0.27211979987663626,0.30776677403879105,0.4544860701802481
EOS-2-45177,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2)nc1,ZSYRYDRIFKPKIG-UHFFFAOYSA-N,2,1,0.538,56,8,400.377,2.756,5,0.444,0.7,1.0,0.7977777397025564,0.6886608183126585,0.39468679322870265,0.35499623055308066,0.5590303954492495
EOS-2-45178,Fc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1cnccn1,YRUAYZQTIFNWBE-UHFFFAOYSA-N,2,1,0.542,4,815,400.377,2.756,5,0.444,0.72,1.0,0.7250274141594133,0.6984613803029265,0.48426255911178123,0.4693475430059626,0.5942747241450209
EOS-2-45179,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccccn5)n34)nn2)cn1,DQHWLPNCCOQENE-UHFFFAOYSA-N,2,1,0.483,54,826,400.377,2.756,5,0.415,0.75,1.0,0.5037351792200672,0.4672058118017956,0.34983037488863,0.34233431567404565,0.4157764203961346
EOS-2-45180,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)ccn1,GNYBRCIWOZFXOV-UHFFFAOYSA-N,2,1,0.416,46,565,400.377,2.756,5,0.415,0.67,1.0,0.667037900075389,0.577445000342677,0.5761085600712769,0.5233363032006031,0.5859819409224865
EOS-2-45181,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5cccnc5)n34)n2)nc1,KJRBFRZIONTPOE-UHFFFAOYSA-N,2,1,0.433,24,335,400.377,2.756,5,0.444,0.75,1.0,0.6426735658967857,0.6494414365019533,0.30530806661640736,0.3140805976286752,0.47787591666095536
EOS-2-45182,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)nn2)c1,LBJVHEBIISTKRG-UHFFFAOYSA-N,2,1,0.593,54,670,400.377,2.756,5,0.444,0.72,0.928,0.5037437461448838,0.4892999109039819,0.35724076485504763,0.37815262833253377,0.4321092625591118
EOS-2-45183,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cn2)cn1,CJSOLYLNGDASBP-UHFFFAOYSA-N,2,1,0.62,55,434,400.377,2.756,5,0.415,0.73,1.0,0.557509766294291,0.6395295044890686,0.42377150298128985,0.36196970735384826,0.4956951202796245
EOS-2-45184,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)c1,DRUGFUUFGNVDSW-UHFFFAOYSA-N,2,1,0.53,54,670,400.377,2.756,5,0.444,0.73,0.998,0.4960849153587828,0.48458810225481463,0.30885477349050783,0.3391474196422452,0.4071688026865876
EOS-2-45185,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnccn5)n34)c2)nc1,AJXAVKAJTZVRDC-UHFFFAOYSA-N,2,1,0.427,7,181,400.377,2.756,5,0.444,0.65,1.0,0.49118463436364884,0.43206428620382425,0.40551538619697075,0.39375299842368583,0.43062932629703243
EOS-2-45186,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnncn5)n34)nc2)cc1,SECXDZKAOAYSGX-UHFFFAOYSA-N,2,1,0.427,4,32,400.377,2.756,5,0.444,0.75,1.0,0.5770423548762936,0.5585206634226578,0.4878692344595984,0.5169282434377356,0.5350901240490713
EOS-2-45187,Fc1cc(-c2cncnc2)ccc1-c1nnc2cncc(OCc3cnccn3)n12,FAGCQZPHXLIRSQ-UHFFFAOYSA-N,2,1,0.482,2,815,400.377,2.756,5,0.444,0.67,1.0,0.6641936810362552,0.7406877527242821,0.5562247275717909,0.5265231992324035,0.621907340141183
EOS-2-45188,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc([N+](=O)[O-])cc5)n34)c2)n1,PTRJWOIXGLCYFU-UHFFFAOYSA-N,2,1,0.442,50,859,400.362,1.952,5,0.326,0.79,1.0,0.11455691864848194,0.009089507230484545,0.07888424371187719,0.027062915495853608,0.05739839627167432
EOS-2-45189,OCc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4F)n23)cc1F,YSEJVMWZURXAEQ-UHFFFAOYSA-N,2,1,0.658,23,721,400.36,3.322,4,0.538,0.73,1.0,0.9834829689534644,0.9715321088342129,0.9669573709821122,0.9596840518127613,0.9704141251456377
EOS-2-45190,OCc1ccc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)c4)n23)cc1,IZKVARKUSHFCJG-UHFFFAOYSA-N,2,1,0.667,48,138,400.36,3.881,4,0.55,0.86,1.0,0.9888886985127818,0.9250908094030567,0.9947570420121993,0.9839798505928312,0.9731791001302172
EOS-2-45195,O=C(O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4)n23)cc1,WSNSHTGUSVTBGX-UHFFFAOYSA-N,2,1,0.488,72,15,400.354,3.332,5,0.472,0.83,1.0,0.4836714412994312,0.09919642245219656,0.45975258721129464,0.30463127955589064,0.33681293262970324
EOS-2-45196,Clc1nc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)ccc1Br,FUUMPGFHLDOGNH-UHFFFAOYSA-N,2,1,0.423,54,237,499.716,3.669,5,0.322,0.69,0.996,0.6254112123912,0.6395380714138853,0.28359947913097117,0.33615756288122817,0.4711765814543211
EOS-2-45197,Cc1cc(Cl)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,NXLLGMYBSYLZRS-UHFFFAOYSA-N,2,1,0.549,90,400,400.269,4.423,4,0.464,0.79,1.0,0.8937015968747858,0.9285946816530738,0.7163062846960455,0.8009303680350901,0.8348832328147487
EOS-2-45198,CCOc1ncccc1-c1cncc2nnc(-c3ccc(Cl)c(Cl)c3C)n12,DWKPECWQRWZPQA-UHFFFAOYSA-N,2,1,0.359,90,861,400.269,4.867,4,0.489,0.77,1.0,0.46642622164347886,0.6208193406894661,0.7703378795147694,0.7944023713247893,0.662996453293126
EOS-2-45199,Cc1cc(Cl)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,ZRUKIENCSJEENR-UHFFFAOYSA-N,2,1,0.613,90,281,400.269,4.423,4,0.496,0.78,1.0,0.8988588856144198,0.9316873415118909,0.8031235007881571,0.8613528887670482,0.8737556541703789
EOS-2-45200,Clc1cnc(-c2ncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2Cl)cn1,ORPCEECGKBHKHK-UHFFFAOYSA-N,2,1,0.506,65,578,499.749,4.62,5,0.312,0.67,1.0,0.8271023233500103,0.9056438900692207,0.637199300938935,0.7531697621821671,0.7807788191350833
EOS-2-45201,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)nc(Cl)n5)n34)c2)cn1,UXIKESWEPCKLBI-UHFFFAOYSA-N,2,1,0.462,87,419,499.749,4.62,5,0.189,0.68,1.0,0.6971763415804263,0.820094578849976,0.6404547323692688,0.7402679734082653,0.7244984065519842
EOS-2-45202,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5Cl)nc4Cl)n23)n1,UCXNHIWWKXDVAM-UHFFFAOYSA-N,2,1,0.457,58,279,499.749,4.62,5,0.312,0.66,0.998,0.7693526831608526,0.8201031457747927,0.4597611541361113,0.6392639298197519,0.6721202282228772
EOS-2-45203,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cnc(Cl)cn5)ncn4)n23)c(Cl)c1,CNUSXHOYTQJQSL-UHFFFAOYSA-N,2,1,0.468,44,481,499.749,4.62,5,0.333,0.62,0.998,0.6516174354053869,0.6933983277362757,0.6876584881091083,0.7988400383798232,0.7078785724076485
EOS-2-45204,Fc1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1,ODKKDONKXPNWGY-UHFFFAOYSA-N,2,1,0.671,90,708,400.211,3.667,4,0.523,0.83,1.0,0.8663302720855321,0.9137739017202385,0.7842676992666713,0.8009389349599068,0.8413277020080873
EOS-2-45205,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)c(OC(F)F)cn1,JONSSLQOGCGYHH-UHFFFAOYSA-N,2,1,0.505,27,390,499.84,4.616,5,0.299,0.74,0.995,0.8663388390103488,0.9419676512918923,0.9277893907203071,0.9092848331163046,0.9113451785347131
EOS-2-45206,FCOc1cc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5cnc(F)c(F)c5)nc4)n23)n1,CYQDSLWPIZCZCW-UHFFFAOYSA-N,2,1,0.453,59,390,499.84,4.46,5,0.303,0.72,0.808,0.7920464670002056,0.9137824686450552,0.854319443492564,0.8280275512302104,0.8470439825920087
EOS-2-45207,FC(F)(F)c1cccc(Oc2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)n1,VDGBLELRHGVJHS-UHFFFAOYSA-N,2,1,0.5,27,679,499.84,5.02,5,0.321,0.77,1.0,0.9378640943047084,0.941976218216709,0.9277979576451237,0.8458124871496128,0.9133626893290384
EOS-2-45208,FC(F)(F)Oc1cccc(-c2nnc3cncc(OCc4cnc(-c5cnccc5Cl)cn4)n23)c1,CZJSFSPEDJRGST-UHFFFAOYSA-N,2,1,0.484,27,343,499.84,4.774,5,0.329,0.71,1.0,0.8937101637996024,0.934754300596258,0.9618943184154616,0.9367246933040916,0.9317708690288533
EOS-2-45209,COc1ncc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1-c1ccc(F)c(F)n1,YQNMUPUYCZJGJR-UHFFFAOYSA-N,2,1,0.423,73,526,499.84,4.302,5,0.319,0.63,0.994,0.7667483380165856,0.8123672126653416,0.8225018847234596,0.7873603591254883,0.7972444486327188
EOS-2-45210,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)n5)cn4)n23)ccc1OC(F)F,ALJCEECZTQPAJS-UHFFFAOYSA-N,2,1,0.528,27,679,499.84,4.616,5,0.299,0.72,1.0,0.9289887601946405,0.970135700089096,0.9052926461517373,0.8892382290453019,0.9234138338701939
EOS-2-45211,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)c(Cl)cn2)c(F)c1,WDPVORHOVIPVIJ-UHFFFAOYSA-N,2,1,0.593,88,146,499.855,5.685,5,0.281,0.69,1.0,0.9608148858885615,0.9748646425878966,0.9819066547871976,0.9885631553697485,0.976537334658351
EOS-2-45212,Cc1nc(Oc2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1F,SGYLYQWPUOCUOR-UHFFFAOYSA-N,2,1,0.44,96,533,499.855,6.765,5,0.255,0.79,1.0,0.8882958673154684,0.9232060859433897,0.994560002741416,0.9922812007401823,0.9495857891851142
EOS-2-45213,Fc1cc(F)cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5F)n34)nc2Cl)c1,HBIZHRUGNAWLEV-UHFFFAOYSA-N,2,1,0.517,88,732,499.855,5.685,5,0.222,0.72,1.0,0.9238143376053731,0.9500376944691933,0.9757984373929134,0.9839884175176479,0.9584097217462819
EOS-2-45214,Fc1cccc(Cl)c1-c1cnccc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,MYMHCTLKGAWABE-UHFFFAOYSA-N,2,1,0.556,57,671,499.855,6.244,5,0.268,0.75,1.0,0.9834915358782811,0.9748732095127133,0.9972328832842163,0.9972157494345829,0.9882033445274484
EOS-2-45215,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C(F)(F)F)ccc5Cl)cc4)n23)cn1,VVJGCQDOKSHKER-UHFFFAOYSA-N,2,1,0.523,57,138,499.855,6.244,5,0.211,0.72,1.0,0.9582105407442945,0.9732883284216298,0.997729764923583,0.9975926941265163,0.9817053320540059
EOS-2-45216,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)cc1C(F)(F)F,WCRBDCZMCDGFMW-UHFFFAOYSA-N,2,1,0.518,57,560,499.855,6.244,5,0.268,0.82,1.0,0.9513313001165101,0.9376499211842917,0.9967702693441163,0.9963847577273662,0.9705340620930711
EOS-2-45217,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccc(C(F)(F)F)nc1,JDLXTMIHEUCBDT-UHFFFAOYSA-N,2,1,0.671,57,798,499.855,6.244,5,0.268,0.79,1.0,0.9916986498526489,0.9900795010622987,0.9965046946747995,0.9950054828318826,0.9933220821054074
EOS-2-45218,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)ccc(F)c5F)n34)cn2)cc1Cl,LPOCBFKQWNKSJQ-UHFFFAOYSA-N,2,1,0.568,88,13,499.855,5.685,5,0.222,0.76,1.0,0.9756442327462134,0.9835429374271811,0.9851106846686314,0.9885717222945651,0.9832173942841478
EOS-2-45219,Fc1ccccc1-c1c(Cl)cccc1COc1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12,JPPNDTZJEDLKLJ-UHFFFAOYSA-N,2,1,0.588,57,671,499.855,6.244,5,0.268,0.71,1.0,0.9558717702693441,0.9748817764375299,0.9942858611472826,0.9920841614693989,0.9792808923308889
EOS-2-45220,O=c1nc(-c2ccc(-c3cncc(-c4nnc5cncc(OCc6cncc(Cl)c6)n45)c3)cn2)[nH]o1,VSMFVRORCIMNLF-UHFFFAOYSA-N,2,1,0.424,2,419,499.878,3.219,6,0.361,0.65,1.0,0.4711208964430128,0.44516311424850935,0.4122489891028716,0.41893119045987254,0.43686604756356656
EOS-2-45221,Cc1nc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cncnc6)c(Cl)n5)n34)n2)no1,LPQADEPFKDPTIZ-UHFFFAOYSA-N,2,1,0.38,80,34,499.882,3.024,6,0.309,0.55,0.688,0.4174833801658557,0.4760383112877801,0.07464361592762662,0.09339661435131245,0.2653904804331437
EOS-2-45222,FCCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,KQKWGAFPWMZDDR-UHFFFAOYSA-N,2,1,0.655,88,781,499.884,4.572,5,0.311,0.77,1.0,0.9463624837228428,0.9347628675210746,0.7842762661914879,0.8340843670755945,0.87487149612775
EOS-2-45223,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccc(Cl)c(C(F)F)c1,LHNFXWCDWOLTSU-UHFFFAOYSA-N,2,1,0.455,95,562,499.884,4.938,5,0.315,0.65,0.803,0.5447536152422726,0.5774535672674936,0.8915598656706188,0.8851518059077513,0.7247297135220341
EOS-2-45224,FC(F)(F)Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)n1,URMOCPKHPFSAGO-UHFFFAOYSA-N,2,1,0.528,72,889,499.884,4.887,5,0.297,0.71,1.0,0.6609211157562881,0.7540178877390172,0.9206617092728394,0.8779470221369338,0.8033869337262697
EOS-2-45225,FC(F)(F)Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,HTYAZBKTPBVBNL-UHFFFAOYSA-N,2,1,0.724,91,520,499.884,4.887,5,0.317,0.75,1.0,0.9388064560345418,0.9316959084367076,0.9206702761976561,0.8973768076211364,0.9221373620725104
EOS-2-45226,Fc1ccc(-c2ncc(Cl)cc2COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,WDJZCCUXGMHPKL-UHFFFAOYSA-N,2,1,0.571,77,323,499.893,5.275,6,0.305,0.69,1.0,0.9489325611678432,0.869637105064766,0.8012816119525735,0.8141662668768419,0.8585043862655062
EOS-2-45227,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccc(F)c(Cl)c4)nc3)n12,LDMQYUFLXSYPSV-UHFFFAOYSA-N,2,1,0.314,3,923,499.893,5.371,6,0.312,0.7,1.0,0.6546072921664039,0.6592162977177712,0.8557929545610308,0.8340929340004112,0.7509273696114043
EOS-2-45228,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)ccc1-c1nnco1,WJJPWRQHROCCDB-UHFFFAOYSA-N,2,1,0.517,77,177,499.893,5.275,6,0.305,0.7,1.0,0.8007247618394902,0.7266208621753135,0.8382650263861284,0.8560927969296142,0.8054258618326366
EOS-2-45229,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6nnco6)cc5)n34)c2)ccc1Cl,VTJHEWRLXKDBRE-UHFFFAOYSA-N,2,1,0.483,77,177,499.893,5.275,6,0.305,0.68,1.0,0.821850798437393,0.6738914399287231,0.857335001028031,0.8580203550133644,0.8027743986018778
EOS-2-45230,COc1nc(-c2cccnc2)cc(Cl)c1-c1nnc2cncc(-c3ccc(-c4cnco4)c(F)c3)n12,URSMAPXNSBVQNI-UHFFFAOYSA-N,2,1,0.317,41,192,499.893,5.371,6,0.312,0.69,1.0,0.6516260023302035,0.6113357549174149,0.739685422520732,0.740276540333082,0.6857309300253581
EOS-2-45231,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cccc(Cl)n6)cc5)n34)no2)cc1,BYHCDQIHHRUIEW-UHFFFAOYSA-N,2,1,0.511,12,427,499.893,5.275,6,0.285,0.75,1.0,0.7693612500856692,0.7495887876088,0.6606555410869714,0.7189020629154959,0.7246269104242341
EOS-2-45232,Fc1cc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)cc5)n4)n23)ccc1-c1cncnc1,SPADEBSXRHEQQI-UHFFFAOYSA-N,2,1,0.462,34,807,499.897,4.201,6,0.335,0.64,1.0,0.4476046878212597,0.597148927421013,0.652131450894387,0.7050150777876774,0.6004750359810842
EOS-2-45233,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cc(-c5ccccc5)nn4)nn3)n12,MMQOVAOBBPVUFR-UHFFFAOYSA-N,2,1,0.5,77,177,499.897,4.201,6,0.335,0.61,1.0,0.41082687958330477,0.6592248646425879,0.512096497841135,0.6158248235213488,0.5494932663970942
EOS-2-45234,Cn1c(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(-c6cncc(F)c6)cc5)n34)cn2)n[nH]c1=O,RBHMJENKMJCHPZ-UHFFFAOYSA-N,2,1,0.3,42,7,499.897,3.797,6,0.391,0.68,1.0,0.382350421492701,0.39975841272017,0.5121050647659516,0.6392724967445685,0.4833715989308478
EOS-2-45235,Fc1cc(Cl)cc(-n2cccc2)c1COc1cncc2nnc(-c3ccc(-c4ncncn4)cn3)n12,KMAMNYNPSPSWHS-UHFFFAOYSA-N,2,1,0.38,6,414,499.897,4.201,6,0.335,0.54,0.999,0.5420807346994723,0.4805702145157974,0.654787197587554,0.664973271194572,0.5856028544993489
EOS-2-45236,Fc1ccc(-n2ncnc2COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1Cl,MGQMPBZZDUWESM-UHFFFAOYSA-N,2,1,0.412,28,297,499.897,4.201,6,0.335,0.69,0.998,0.47112946336782946,0.5351158248235214,0.5157717085874854,0.5792611884038106,0.5253195462956617
EOS-2-45237,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(Cl)cn6)cc5F)n34)nn2)nn1C,LHFYFCLIKGWYIS-UHFFFAOYSA-N,2,1,0.345,98,507,499.901,3.602,6,0.357,0.68,0.224,0.21934754300596257,0.30768967171544104,0.1904684394489754,0.27130594201905284,0.24720289904735798
EOS-2-45238,FC(F)n1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,DIDFVPQVTFNMSO-UHFFFAOYSA-N,2,1,0.427,93,689,499.912,6.432,6,0.273,0.79,1.0,0.19176204509629224,0.48930847782879855,0.8586457405249811,0.9170121993009389,0.6141821156877527
EOS-2-45239,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ncc(-c5ccc(F)c(Cl)c5)cc4F)n23)cc1,VEQUUTJNBWPEOX-UHFFFAOYSA-N,2,1,0.292,3,192,499.912,5.852,6,0.304,0.73,1.0,0.30814371873072444,0.42294051127407306,0.9074258104310876,0.9286032485778904,0.6417783222534439
EOS-2-45240,Fc1cncc(-c2cc(-c3cncc4nnc(-c5cccc(F)c5Cl)n34)n(Cc3ccccc3)n2)c1,FVWBTVQAYJDYKQ-UHFFFAOYSA-N,2,1,0.32,30,298,499.912,5.697,6,0.304,0.65,1.0,0.2136762387773285,0.3613957233911315,0.8647453909944486,0.9149647042697553,0.588695514358166
EOS-2-45241,Cn1[nH]cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5Cl)n34)cn2)c1=O,FCOCDYGPPFWUJK-UHFFFAOYSA-N,2,1,0.41,6,109,499.922,3.298,6,0.373,0.54,1.0,0.3754026454663834,0.3851946405318347,0.47374237543691317,0.4754643273250634,0.4274509971900487
EOS-2-45242,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4conc4-c4cccnc4Cl)n23)ccn1,BBMYUDKCDZFUPV-UHFFFAOYSA-N,2,1,0.416,75,597,499.922,4.352,6,0.295,0.66,1.0,0.39997258584058665,0.39014632307586866,0.3200603111507093,0.3109194023713248,0.35527465560962235
EOS-2-45243,Cn1nc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)cc1-c1ccc(Cl)cn1,JRXDWFBZHUMMRY-UHFFFAOYSA-N,2,1,0.43,95,402,499.926,3.01,6,0.339,0.6,1.0,0.4334949626482078,0.4845966691796313,0.14000068535398533,0.1866390240559249,0.3111828353094373
EOS-2-45244,Cn1nc(-c2cnnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)nc3-c3ccccn3)n12,FINUXGIAEHAYJJ-UHFFFAOYSA-N,2,1,0.416,71,826,499.926,3.01,6,0.318,0.6,0.983,0.3081522856555411,0.5078730039065177,0.10028442190391337,0.12192447399081625,0.2595585463641971
EOS-2-45245,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)nn4C)n23)cc1,HIKVIEOMEJDGFQ-UHFFFAOYSA-N,2,1,0.461,67,789,499.926,3.01,6,0.318,0.66,1.0,0.47113803029264617,0.6113443218422315,0.08608902748269481,0.11271502981289837,0.3203216023576177
EOS-2-45246,Cn1nc(-c2ccc(=O)n(C)n2)cc1-c1cncc2nnc(-c3cnn(C)c3-c3ccc(Cl)cn3)n12,BIYSJPVYZDJTAW-UHFFFAOYSA-N,2,1,0.269,99,14,499.926,2.401,6,0.362,0.52,0.658,0.2600747035844013,0.24101329586731546,0.07674251250771023,0.11016208621753136,0.1719981495442396
EOS-2-45247,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-n5cncn5)nc4)n23)c(Cl)c1,ORZUOAQYBZKNNY-UHFFFAOYSA-N,2,1,0.543,37,610,499.926,2.837,6,0.325,0.71,1.0,0.4935748063874991,0.5675759029538757,0.21463573435679528,0.22380234391062984,0.37489719690219997
EOS-2-45248,Cn1nc(-c2ccc(-c3nnnn3C)nc2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,MPDRLPRGTTYTPU-UHFFFAOYSA-N,2,1,0.5,71,415,499.926,3.01,6,0.339,0.65,1.0,0.5268915769995203,0.7710832019738195,0.140009252278802,0.18400897813720787,0.40549825234733744
EOS-2-45249,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ncc(Cl)cn6)nn5C)n34)cc2)n[nH]1,NPCNZXBXILEWLX-UHFFFAOYSA-N,2,1,0.412,56,19,499.926,3.308,6,0.365,0.61,0.684,0.5136128435336852,0.5721163731067096,0.05813515180590775,0.08069186484819409,0.3061390583236241
EOS-2-45250,Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(-c6nnn(C)n6)c5)n34)nc2)cn1,JSJCQEGHDYHRDO-UHFFFAOYSA-N,2,1,0.479,4,677,499.926,3.103,6,0.339,0.57,0.999,0.30816085258035775,0.535124391748338,0.2290024672743472,0.22105236104447948,0.3233350181618806
EOS-2-45251,Cc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)c(-c2ccc(C(F)F)nc2)n1,ABLVFXMJMZRFLJ-UHFFFAOYSA-N,2,1,0.495,87,954,499.934,5.226,5,0.303,0.65,0.972,0.8642056747309985,0.8696456719895826,0.6492786649304366,0.6130405729559317,0.7490426461517374
EOS-2-45252,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)ccc5F)n34)c(Cl)c2)n1C,OZXQSSYEQWVNIL-UHFFFAOYSA-N,2,1,0.321,3,314,499.941,4.755,6,0.347,0.72,1.0,0.23870022616681516,0.39475532862723595,0.6253169762182167,0.645012336371736,0.475946216846001
EOS-2-45253,Clc1cc(-c2ccncn2)ccc1-c1nnc2cncc(OCc3nc(-c4ccccn4)ns3)n12,LAHBHQJXGLEPNP-UHFFFAOYSA-N,2,1,0.479,28,414,499.947,4.394,6,0.328,0.64,1.0,0.4862158179699815,0.6444554862586526,0.22186621890206293,0.3046398464807073,0.414294342402851
EOS-2-45254,Clc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6ccnnc6)cc5)n34)n2)cn1,WDPKNSVMXNTLFV-UHFFFAOYSA-N,2,1,0.435,40,25,499.947,4.394,6,0.307,0.66,1.0,0.45928140634637793,0.6787488862997738,0.3272822287711603,0.39988691659242,0.466299859502433
EOS-2-45255,Clc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nn2)s1,FAOPNASKHVTJRH-UHFFFAOYSA-N,2,1,0.444,40,355,499.947,4.394,6,0.328,0.64,1.0,0.6546158590912207,0.77524672743472,0.2943424028510726,0.3550047974778973,0.5198024467137277
EOS-2-45256,Clc1cnc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)cn1,OWSXWTPSFNTXTD-UHFFFAOYSA-N,2,1,0.479,81,120,499.947,4.394,6,0.328,0.73,1.0,0.5062195874169009,0.6739000068535399,0.18713590569529162,0.2713145089438695,0.4096425022274005
EOS-2-45257,Clc1cc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)s2)ccn1,NEFQIZAOPRHDOT-UHFFFAOYSA-N,2,1,0.433,40,868,499.947,4.394,6,0.307,0.64,1.0,0.4887344938660818,0.6113528887670482,0.34195737098211226,0.40594373243780413,0.46199712151326155
EOS-2-45258,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccc(F)c(Cl)c6)n5)n34)cc2)cs1,OOIUCDGVSRSATN-UHFFFAOYSA-N,2,1,0.321,3,532,499.962,6.14,6,0.29,0.71,1.0,0.3081694195051744,0.45835617846617777,0.8031320677129737,0.8320711397436776,0.6004322013570008
EOS-2-45259,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5ccc(Cl)c(F)c5)n34)cc2)s1,CTNPGFLHBZHGCE-UHFFFAOYSA-N,2,1,0.329,69,152,499.962,6.14,6,0.29,0.74,1.0,0.26008327050921803,0.4714978411349462,0.7346994722774313,0.794410938249606,0.5651728805428003
EOS-2-45260,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccc(F)c(Cl)c6)cs5)n34)cc2)cn1,ZHBTWGNGPFFGTK-UHFFFAOYSA-N,2,1,0.329,32,479,499.962,6.14,6,0.29,0.69,1.0,0.3031492015626071,0.5351329586731547,0.7659687478582689,0.8009475018847234,0.6012996024946885
EOS-2-45261,Clc1cncc(COc2cncc3nnc(-c4cncc(-c5cnc(CN6CCCC6)nc5)c4)n23)c1,CJNCSRGOBITGPW-UHFFFAOYSA-N,2,1,0.404,2,419,499.966,3.867,6,0.329,0.74,1.0,0.30566787745870744,0.1585052429579878,0.01994380097320266,0.11962853813994928,0.1509363648824618
EOS-2-45262,CCn1cncc1-c1ccncc1-c1nnc2cncc(OCCc3cc4nc(Cl)ccc4n3C)n12,RSZHKNALFQLLIC-UHFFFAOYSA-N,2,1,0.38,26,328,499.966,4.231,6,0.303,0.44,0.995,0.43837810979370845,0.47150640805976285,0.32729079569597697,0.3262627647179768,0.3908595195668563
EOS-2-45263,Clc1cncc(COc2cncc3nnc(-c4ccnc(-c5cnc(CN6CCCC6)nc5)c4)n23)c1,MJFYFMVQEVWHSS-UHFFFAOYSA-N,2,1,0.424,51,441,499.966,3.867,6,0.329,0.74,1.0,0.2733106024261531,0.1395552052635186,0.01579740936193544,0.09733739976697965,0.1315001542046467
EOS-2-45264,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cc5Cl)n34)cc2)cs1,ZURSOTIPHYXNOX-UHFFFAOYSA-N,2,1,0.495,77,933,499.987,5.641,6,0.295,0.72,1.0,0.49358337331231583,0.5032896991296004,0.7010828592968268,0.6768213282160236,0.5936943149886916
EOS-2-45265,CCn1cc(-c2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4)n23)c(-c2ncc(Cl)cn2)n1,IDNIUFXEZCFLBD-UHFFFAOYSA-N,2,1,0.292,42,856,499.991,5.217,6,0.32,0.71,1.0,0.1444811870331026,0.25108799945171684,0.17746384757727365,0.22381091083544652,0.19921098622438488
EOS-2-45266,Cc1nc(-c2ccc(-c3nnc4cncc(-c5c(-c6cccc(Cl)n6)nn(C)c5C)n34)nc2)cs1,FTEBRLGTDZJNBJ-UHFFFAOYSA-N,2,1,0.272,76,387,499.991,5.043,6,0.313,0.66,0.896,0.04453087519703927,0.13571722294565142,0.15820540058940444,0.1948033034062093,0.1333142005345761
EOS-2-45267,C=Cc1cc(Oc2ccc(C(F)(F)F)cc2-c2cn(C)c(=O)cc2OCC)ccc1Cl,WVGOBEHILNEMEQ-UHFFFAOYSA-N,2,0,0.248,48,40,449.856,6.559,3,0.428,0.65,0.996,0.34554691248029606,0.12882084846823386,0.9989377013227332,0.9941145226509492,0.6168549962305531
EOS-2-45268,Fc1cc(-n2cc(Oc3ccc(-c4nnco4)cc3)nn2)ccc1Oc1ccc(Cl)cc1,HHIHUVXAFFYJKQ-UHFFFAOYSA-N,2,0,0.237,83,590,449.829,5.694,5,0.329,0.85,1.0,0.17454252621478994,0.029838599136453977,0.9375985196353916,0.9059608662874374,0.5119851278185182
EOS-2-45269,Fc1ccc(Oc2cc(Cl)ccc2-c2cccc(-c3nnc4ccc(Cl)cn34)c2)cc1,TZAHWCAWQHHMHR-UHFFFAOYSA-N,2,0,0.309,83,148,450.3,7.302,5,0.288,0.82,1.0,0.3846634911932013,0.4367075594544582,0.9898310602426154,0.9967103008703996,0.7019781029401686
EOS-2-45270,FC(F)(F)Oc1ccc(-c2ccc(-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)cc2)cc1,BXFOCCYCIMSNAB-UHFFFAOYSA-N,2,0,0.304,83,148,450.338,6.988,4,0.315,0.89,1.0,0.5242957987800699,0.19149647042697554,0.9999400315262833,0.9999057638270167,0.6789095161400864
EOS-2-45271,FC(F)(F)Oc1ccc(N(Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1,SBIWPVLNCSDMCG-UHFFFAOYSA-N,2,0,0.286,79,403,449.472,7.503,4,0.278,0.92,1.0,0.1251627715715167,0.0006168185868000823,0.9988691659241998,0.9952710575011994,0.5299799533959291
EOS-2-45272,Cc1nnc(-c2nnc(-c3ccc(Oc4ccn5c(CC6CC6)nnc5c4)c(F)c3)o2)s1,HSEXLTHLKAFLKL-UHFFFAOYSA-N,2,0,0.202,61,226,449.471,4.49,6,0.373,0.79,1.0,0.29807758207113977,0.17888595709684052,0.030232677678020698,0.10374545952984716,0.15273541909396204
EOS-2-45273,Cn1nnc(-c2ccc(-c3ccc(-c4ccc(Cl)cc4-c4ccc(Cl)cn4)o3)cn2)n1,IVWYTGSWWSANCL-UHFFFAOYSA-N,2,0,0.21,96,140,449.301,5.568,5,0.357,0.77,1.0,0.07804468507984375,0.012781851826468371,0.805111027345624,0.8420858748543623,0.43450585977657463
EOS-2-45274,COc1cncc2nnc(-c3ccc(-n4cc(-c5ccc(Cl)c(F)c5)cn4)cc3F)nc12,KANRSFOMAOBTIB-UHFFFAOYSA-N,2,0,0.34,45,102,450.836,4.88,5,0.388,0.76,1.0,0.08681721609211157,0.1288294153930505,0.930445137413474,0.9234373929134397,0.517382290453019
EOS-2-45275,O=C(c1ccc(F)cc1-n1ccnc1)N1CCCc2cc(-c3cc(F)cc(Cl)c3)cnc21,CDNRRUDPYRWZGC-UHFFFAOYSA-N,2,0,0.202,23,358,450.876,5.459,5,0.416,0.81,1.0,0.05047632101980673,0.009911932012884655,0.6464858474402029,0.818081351518059,0.38123886299773835
EOS-2-45276,Fc1ccc(-c2ccc3nc(-c4ccccn4)n4nc(-c5ccc(Cl)cc5)cc4c3c2)cc1,DFHGZAMONOHLQU-UHFFFAOYSA-N,2,0,0.22,83,148,450.904,7.071,6,0.289,0.86,0.996,0.2001062298677267,0.15851380988280447,0.959872524158728,0.9779059008978137,0.5740996162017682
EOS-2-45277,FC(F)Oc1ccc(-c2cn3nc(-c4ccc(-c5cccnc5)cc4)cc(Cl)c3n2)cc1,NLWBLCAFPJKLBD-UHFFFAOYSA-N,2,0,0.298,83,472,448.86,6.38,5,0.313,0.83,1.0,0.32604859159756017,0.3567267493660476,0.985119251593448,0.9846480707285313,0.6631356658213968
EOS-2-45278,Cc1ccc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)nc34)n(C)n2)nn1,UTSDXSMOICPLDI-UHFFFAOYSA-N,2,0,0.267,22,706,448.849,4.171,5,0.403,0.76,0.999,0.3311716126379275,0.30257521759989037,0.5013364402714002,0.48468233842779795,0.404941402234254
EOS-2-45279,Fc1cccc(Cl)c1-c1noc(-c2ccc(-c3cc(-c4ccc(Cl)cc4)co3)cc2)n1,LDOSIMPPSSQHLQ-UHFFFAOYSA-N,2,0,0.203,83,148,451.284,7.777,5,0.28,0.89,1.0,0.2600918374340347,0.07989514084024399,0.9889058323624151,0.9947998766362827,0.5809231718182442
EOS-2-45280,Cn1c(-c2cccc(Cl)c2F)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3)cc12,RDCKYVVABWQLTO-UHFFFAOYSA-N,2,0,0.232,45,46,451.292,5.6,5,0.357,0.64,1.0,0.19721060927969297,0.2819374957165376,0.8915684325954355,0.9442550202179426,0.5787428894524022
EOS-2-45281,CN(Cc1ccc(F)c(F)c1)c1ccc2nnc(-c3ccc(-c4nnn(C)n4)c(F)c3)n2n1,ZXSHGUGPBCPCSP-UHFFFAOYSA-N,2,0,0.294,61,258,451.416,3.036,5,0.406,0.78,1.0,0.10660681241861421,0.1321362483722843,0.45976972106092795,0.4568912343225276,0.2888510040435885
EOS-2-45282,COCCCOc1cncc2nnc(-c3cc(-c4ccc(-c5ccccn5)cc4)ncn3)nc12,SKSOAZSPNPXAFO-UHFFFAOYSA-N,2,0,0.226,44,130,451.49,4.021,5,0.323,0.85,0.981,0.0780532520046604,4.283462408333905e-05,0.25418922623535056,0.230039065177164,0.14058109451031459
EOS-2-45283,Cc1nnc(-c2ccc(-c3nc(-c4ccc(Cl)cc4)nn3-c3ccc(Cl)cc3)cc2)o1,UKZVQYOSPCYNOQ-UHFFFAOYSA-N,2,0,0.237,83,148,448.313,6.267,5,0.324,0.86,1.0,0.03857686244945514,0.02038071413885272,0.8170704543896923,0.8561013638544308,0.43303234870810775
EOS-2-45284,Fc1cc(-c2cc3c(-c4ccc(-c5ccc(Cl)nc5)cn4)cncc3nn2)ccc1Cl,YHXNUMRZRQNKLX-UHFFFAOYSA-N,2,0,0.184,96,680,448.288,6.262,5,0.305,0.67,1.0,0.13104824892056746,0.057655404016174354,0.9846480707285313,0.9901309026111987,0.5408706565691179
EOS-2-45285,Clc1ccc(-c2cc3c(-c4ccc(Cl)cc4)nn(-c4ccccc4Cl)c3nn2)cc1,FDSGNGJYHICXTN-UHFFFAOYSA-N,2,0,0.203,83,148,451.744,7.11,5,0.293,0.72,1.0,0.018581659927352476,0.05374888629977383,0.965261119868412,0.9915444452059489,0.5072840278253717
EOS-2-45286,O=C1c2ccc(F)cc2CN1c1cc(-c2ncc(Cl)cn2)ccc1-c1ccc(F)c(F)c1,KJLMIXWJPDBSPM-UHFFFAOYSA-N,2,0,0.252,57,853,451.835,6.042,5,0.381,0.78,1.0,0.26010040435885134,0.14678568980878623,0.9796192858611473,0.9839969844424645,0.5926255911178124
EOS-2-45287,Fc1ccc(-c2nc(-c3cncc(-c4cncnc4)c3-c3ccc(Cl)cc3)no2)cc1F,HCVYLKSXLNJDIL-UHFFFAOYSA-N,2,0,0.204,41,696,447.832,5.854,5,0.343,0.86,1.0,0.23595881022548146,0.07647693783839353,0.9690905352614625,0.9722088958947296,0.5634337948050168
EOS-2-45288,FC(F)(F)Oc1cc(Cl)ccc1-c1noc(-c2ccc(-c3ccc(Cl)cc3)nc2)n1,VVNTWZWGGQDNPQ-UHFFFAOYSA-N,2,0,0.226,83,148,452.219,6.671,4,0.346,0.94,1.0,0.5659910218627922,0.28194606264135424,0.9983123158111165,0.9986292920293331,0.7112196730861491
EOS-2-45289,CCn1cc(-c2ccc(-c3cnncc3-c3nc(C4(F)CCOCC4)n(C)n3)cc2F)nn1,RBLOJVMKNPDSRA-UHFFFAOYSA-N,2,0,0.185,78,792,452.469,3.332,5,0.458,0.55,0.629,0.010374545952984716,0.003666643821533822,0.02280515386196971,0.09540127475841272,0.03306190459872524
EOS-2-45290,COc1cc(OC)nc(N2CCC(Oc3ccc(C(C)NC(=O)c4cnn(C)c4)cc3)C2)n1,NDCYTWUQQUOYHM-UHFFFAOYSA-N,2,0,0.241,63,792,452.515,2.376,4,0.556,0.85,1.0,0.015900212459735455,8.566924816667809e-06,0.04376841888835584,0.00832705092180111,0.017001062298677268
EOS-2-45291,Fc1ccc(-c2nc(-c3ccc(-c4c[nH]nn4)cc3)[nH]c2-c2ccc(OC(F)F)cc2)cc1,RWTWNOZJOWBLSB-UHFFFAOYSA-N,2,0,0.284,83,148,447.42,5.936,5,0.338,0.93,1.0,0.24955451990953328,0.1357257898704681,0.987517990542115,0.9815639777945309,0.5885905695291618
EOS-2-45292,Cc1cc(-c2nnn(Cc3ccc(F)cc3F)n2)ccc1-c1cnc(F)c(OC(F)F)c1,QFWDMKDSRNVSQR-UHFFFAOYSA-N,2,0,0.266,23,240,447.367,4.778,4,0.315,0.79,0.987,0.2980861489959564,0.2510965663765335,0.9844424645329313,0.9737766431361798,0.6268504557604002
EOS-2-45293,CCCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4)cc23)n(C)n1,NCHSWDQEZDYZGG-UHFFFAOYSA-N,2,0,0.223,61,292,446.902,4.54,5,0.377,0.66,0.785,0.2164690562675622,0.1507607429237201,0.21464430128161197,0.26560893701596877,0.21187075937221575
EOS-2-45294,Cn1c(-c2ccc(OC(F)(F)F)cc2)nc(-c2ccc(F)cc2)c1-c1ccc(Cl)cc1,RVFGIQPSBKYPQM-UHFFFAOYSA-N,2,0,0.357,83,148,446.831,7.112,4,0.312,0.85,1.0,0.3569666232609143,0.4229490781988897,0.9994431498869166,0.9996915907066,0.6947626105133301
EOS-2-45295,Fc1ccc(-c2ccc3n[nH]c(-c4cc(N5CCCC5c5ccc(F)cc5)ncn4)c3c2)cc1,XWILPNHJSAEDKD-UHFFFAOYSA-N,2,0,0.206,83,148,453.496,6.307,6,0.347,0.61,0.453,0.07596292234939346,0.020389281063669384,0.867598176958399,0.9170207662257556,0.47024278664930436
EOS-2-45296,CC(C)(O)c1ncc(-c2cc3c(cc2F)Oc2cnc(-c4cncnc4)cc2CC3)cc1F,UBKAQKXOIGDTIZ-UHFFFAOYSA-N,2,0,0.154,82,817,446.457,4.997,5,0.477,0.56,1.0,0.2815091494757042,0.04998800630525666,0.9566599273524775,0.8694486327187992,0.5394014289630594
EOS-2-45297,Fc1ccc(-c2nc(-c3c(F)cccc3F)nn2-c2ccc(-c3cccnc3)cc2F)cc1,GQXSJUKMLXXXEO-UHFFFAOYSA-N,2,0,0.247,83,148,446.407,6.22,5,0.308,0.78,1.0,0.047263724213556305,0.04260331711328901,0.9824720718250977,0.987338085120965,0.514919299568227
EOS-2-45298,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)nc34)n2)cn1,ISUOZSGQFGRTLV-UHFFFAOYSA-N,2,0,0.262,57,436,446.392,4.54,5,0.366,0.83,0.999,0.46402748269481187,0.22562709889658009,0.9020714824206703,0.8808940442738674,0.6181550270714824
EOS-2-45299,Fc1ccc(-c2nnc(-c3cc(OC(F)(F)F)cc(-c4ccc(Cl)nc4)c3)o2)cc1F,QWXNPAUUGUKDAR-UHFFFAOYSA-N,2,0,0.253,57,574,453.754,6.296,4,0.268,0.75,1.0,0.5659995887876088,0.37595092865465013,0.9996744568569667,0.9997601261051333,0.7353462751010897
EOS-2-45300,FC(F)(F)c1cccc(-n2ccc(-c3cncc4nnc(-c5ccc(Cl)nc5)cc34)n2)n1,QHGPULNGJPUGPB-UHFFFAOYSA-N,2,0,0.226,27,315,453.815,5.007,5,0.357,0.62,0.213,0.00062538551161675,0.006408059762867521,0.9737766431361798,0.9418048797203755,0.4806537420327599
EOS-2-45301,Clc1ccc(-c2nnc(-c3ncc4nnc(-c5ccc(-c6ccccn6)cc5)n4n3)o2)cn1,QTSMIZDEJLWITN-UHFFFAOYSA-N,2,0,0.209,3,787,453.853,4.014,6,0.364,0.79,0.986,0.14448975395791927,0.1467942567336029,0.19394661092454252,0.31092796929614147,0.19903964772805155
EOS-2-45302,N#Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)n2Cc2cc(-c3ccc(F)cc3)no2)cc1,OTFXBBJSYKLAQU-UHFFFAOYSA-N,2,0,0.27,83,148,453.904,7.19,5,0.283,0.89,1.0,0.2303646083201974,0.1217788362689329,0.9908847919950654,0.9948084435610993,0.5844591700363237
EOS-2-45303,Fc1ccc(Oc2ccc(-c3cc(-c4cccnc4)nc(-c4ccccc4Cl)n3)cc2)cc1,WFTRLCVVLYUOCB-UHFFFAOYSA-N,2,0,0.25,17,148,453.904,7.457,5,0.277,0.92,1.0,0.24145020903296552,0.046424165581522854,0.9786169556575971,0.979627852785964,0.5615297957645123
EOS-2-45304,CCn1cc(-c2cncc(C(=O)N3CCCc4cc(-c5cnc(Cl)nc5)cnc43)c2)cn1,NWHKMGUHYOZQCQ-UHFFFAOYSA-N,2,0,0.195,82,36,445.914,4.063,5,0.44,0.86,1.0,0.007213350695634295,0.00367521074635049,0.05449420875882393,0.08572921664039476,0.03777799671030087
EOS-2-45305,Cn1c(-c2ccc(Cl)cc2)cc(-c2ccn(-c3ccc(F)cc3)n2)c1-c1ccc(F)cc1,DFRIMDWOCXOZCC-UHFFFAOYSA-N,2,0,0.222,83,148,445.9,7.143,5,0.288,0.82,1.0,0.0065879651840175454,0.02259954766636968,0.9918956891234323,0.9959135768624494,0.5042491947090673
EOS-2-45306,Fc1ccc(Cn2cc(-c3cc4c(OCc5ccc(Cl)cc5)cncc4nn3)cn2)cc1,RXCIBFGLDAUAMR-UHFFFAOYSA-N,2,0,0.267,57,397,445.885,5.308,5,0.354,0.64,1.0,0.2757607429237201,0.1123038174216983,0.9550322116373107,0.95014906449181,0.5733114591186348
EOS-2-45307,Cc1cccc(-c2nn(C(F)F)cc2-c2ccc(F)c(C(=O)Nc3ccc(F)cc3C)c2)n1,GPNRFCYNDSZKPB-UHFFFAOYSA-N,2,0,0.279,48,358,454.427,6.155,4,0.368,0.85,0.912,0.010383112877801384,0.0011565348502501542,0.97513878418203,0.9286118155027071,0.47882256185319716
EOS-2-45308,Cn1cnc(-c2ccc(-c3c4c(nn3C)CCc3cnc(=Nc5ccc(F)nn5)[nH]c3-4)cc2)n1,CXFPCPCGWLRJKF-UHFFFAOYSA-N,2,0,0.168,61,320,454.473,2.533,6,0.448,0.17,0.043,0.027114317044753616,0.006416626687684189,0.04225207319580564,0.04328867109862244,0.02976792200671647
EOS-2-45309,CCOc1cc(=O)n(C)cc1-c1cc(N(C)c2ccccn2)ccc1Oc1ccc(F)cc1,KHGULKDMFIVGTC-UHFFFAOYSA-N,2,0,0.22,79,590,445.494,5.545,4,0.374,0.75,0.995,0.053714618600507164,0.0010451648276334727,0.9102871633198547,0.6996693167020767,0.41617906586251796
EOS-2-45310,N=c1ncc(-c2ccc(C3(c4ccc(C(O)(F)c5ccc(F)cc5)cn4)CCC3)cn2)c[nH]1,DLDINZCBGCFLTA-UHFFFAOYSA-N,2,0,0.188,0,646,445.473,4.118,5,0.43,0.57,1.0,0.05372318552532383,0.007067712973750942,0.9737852100609965,0.9596926187375779,0.4985671818244123
EOS-2-45311,Cc1cc(-c2nnco2)ccc1OCc1onc(-c2ccc(F)cc2)c1-c1ccc(F)cc1,MYTVPHNCAIBAEI-UHFFFAOYSA-N,2,0,0.222,83,148,445.425,6.224,5,0.309,0.81,1.0,0.5162000548283189,0.13214481529710095,0.9543382907271606,0.9202419299568227,0.6307312727023509
EOS-2-45312,CC(N=c1nc(-c2cc(F)cc(F)c2)cc[nH]1)c1ccc(-c2cnn(C(F)F)c2)cc1F,FMVQIIWMOUWNSN-UHFFFAOYSA-N,2,0,0.187,23,240,445.395,5.415,4,0.418,0.47,0.943,0.015043519978068673,0.001430676444383524,0.9959564114865328,0.9897282571448153,0.5005397162634501
EOS-2-45313,O=C(Cn1nc(-c2ccc(F)c(F)c2)nc1-c1ccncc1F)Nc1ccc(F)c(F)c1,WVAZDHOREHIDKV-UHFFFAOYSA-N,2,0,0.3,23,102,445.351,4.341,4,0.464,0.87,1.0,0.18045370433829072,0.04261188403810568,0.9244054554177232,0.9275752175998904,0.5187615653485025
EOS-2-45314,OC(c1cc(Cl)on1)(c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1)c1ncco1,QTPQCLGUHFWSJB-UHFFFAOYSA-N,2,0,0.222,83,148,454.82,4.731,5,0.413,0.55,1.0,0.14716263450071962,0.04643273250633952,0.9555462271263108,0.9358937015968748,0.5212588239325612
EOS-2-45315,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(Oc4ccccc4)cc3)nc12,HISGCSYBJGLQKC-UHFFFAOYSA-N,2,0,0.375,17,590,454.917,6.154,5,0.293,0.85,1.0,0.36839490096634914,0.13956377218833527,0.8647539579192653,0.8644712494003153,0.5592959701185662
EOS-2-45316,O=S(=O)(c1ccc(-n2cc(-c3ccc(Cl)cc3)nn2)cc1)N(CCO)c1ccccc1,LDSMMIHBHOOCAU-UHFFFAOYSA-N,2,0,0.255,79,824,454.939,3.775,4,0.459,0.9,0.954,0.009689191967651292,0.002638612843533685,0.5047546432732506,0.5729302309642931,0.27250316976218214
EOS-2-45317,COc1cc(-c2cnc(C)n2C)ccc1N=c1cc2ccc(-c3ccc(Cl)cc3)cc2c[nH]1,OYDUXXYCEFJNGK-UHFFFAOYSA-N,2,0,0.195,83,148,454.961,6.438,5,0.34,0.35,0.014,0.10164656294976356,0.08347611541361113,0.947339113151943,0.8961688712219862,0.507157665684326
EOS-2-45318,O=C1CCC(N2CCc3cc(-c4ccc(-c5ccc(Cl)cc5)cc4)ccc3C2=O)C(=O)N1,RXDWTAZWFUBGON-UHFFFAOYSA-N,2,0,0.192,0,21,444.918,4.478,5,0.606,0.84,0.996,0.07597148927421013,0.005894044273867452,0.30886334041532454,0.5824138167363443,0.24328567267493661
EOS-2-45319,CC(c1ccc(F)cc1)n1c(-c2ccc(F)cc2)nc2ccc(-c3ccc(Cl)cc3)cc21,CUPWRVOMNSODSM-UHFFFAOYSA-N,2,0,0.233,83,148,444.912,7.911,5,0.275,0.8,1.0,0.17174114179973957,0.17889452402165718,0.9970187101637996,0.9992461106161332,0.5867251216503324
EOS-2-45320,Fc1ccc(CCOc2ccc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n3n2)cc1,LKZUIVKWBFIBNR-UHFFFAOYSA-N,2,0,0.407,83,497,444.897,5.872,5,0.328,0.9,1.0,0.5660081557124255,0.5032982660544171,0.9304537043382908,0.9473733808512097,0.7367833767390857
EOS-2-45321,Cc1nsc(-c2c(Oc3ccc(-c4cc(=O)[nH]c(=O)n4C)cc3)ccc(Cl)c2F)n1,GSDNOEKOQKVPRR-UHFFFAOYSA-N,2,0,0.192,96,254,444.875,4.152,4,0.51,0.68,1.0,0.1917706120211089,0.0764855047632102,0.7137533411006785,0.6768298951408402,0.41470983825645946
EOS-2-45322,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5cccc(Cl)c5)nc34)nn2)cc1,WRWKEBJIOYVPBU-UHFFFAOYSA-N,2,0,0.275,83,574,444.857,4.915,5,0.38,0.83,0.991,0.31617949420875885,0.16237749297512166,0.7903502158865053,0.8320797066684943,0.52524672743472
EOS-2-45323,Fc1ccc(COc2ccc(-c3ccc(COc4ncccc4Cl)cc3)nc2)cc1Cl,NANLMJPIAFTJLN-UHFFFAOYSA-N,2,0,0.356,57,397,455.316,6.748,4,0.309,0.91,1.0,0.44761325474607633,0.16614693989445548,0.9940459872524159,0.9928209170036324,0.650156774724145
EOS-2-45324,OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1nnc(-c2ccc(F)cc2F)o1,PBJWXAUDSQUJKT-UHFFFAOYSA-N,2,0,0.198,23,370,455.318,3.564,4,0.448,0.67,0.926,0.3209512713316428,0.15852237680762113,0.9969587416900829,0.9925039407854157,0.6172340826536906
EOS-2-45325,Cn1nc(-c2nnc(C3(c4ccc(Cl)cc4)CCOCC3)o2)cc1-c1ccc(Cl)cc1,QGCLJFBUTLDRHE-UHFFFAOYSA-N,2,0,0.25,0,574,455.345,5.54,5,0.404,0.76,0.998,0.1364711123295182,0.03283702282228771,0.4386008498389418,0.7161777808237955,0.3310216914536358
EOS-2-45326,Cn1c2cncc(OC3OCc4ccccc43)nc1c(-c1ccc(-c3cc[nH]n3)c(F)c1)nn2,LMYPSNAFZXRFTO-UHFFFAOYSA-N,2,0,0.146,0,378,455.453,4.767,6,0.615,0.49,0.0,0.33118017956274415,0.13573435679528476,0.3419659379069289,0.12193304091563292,0.2327033787951477
EOS-2-45327,Cn1cnnc1-c1ccc2c(c1)CCCN2c1cc(F)c(-c2nnc3cnccn23)cc1F,JAHIVGZYWWZYKS-UHFFFAOYSA-N,2,0,0.386,61,252,444.449,3.949,6,0.419,0.72,1.0,0.12810122678363375,0.13957233911315195,0.3723356863820163,0.44104242341169214,0.27026291892262355
EOS-2-45328,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5)cc34)ccn2)cc1,ZVJOEGOQTPOFQI-UHFFFAOYSA-N,2,0,0.255,83,148,444.416,5.75,5,0.345,0.7,1.0,0.4313617983688575,0.16238605989993832,0.9889143992872319,0.9863443218422315,0.6422516448495648
EOS-2-45329,Fc1cccc(-c2cc3c(OCc4ccc(F)c(-c5cccc(F)c5)n4)cncc3nn2)c1,NBBXCPGUFYUPDO-UHFFFAOYSA-N,2,0,0.238,83,148,444.416,5.75,5,0.345,0.64,1.0,0.38691659241998494,0.12883798231786717,0.9761668151600301,0.9737852100609965,0.6164266499897197
EOS-2-45330,Clc1ccc(-c2nnc3nnc(-c4cc(-c5ccnc(Br)c5)no4)n3n2)cc1,SOQOXBSSFPFEPR-UHFFFAOYSA-N,2,0,0.256,22,252,455.663,3.714,5,0.379,0.69,1.0,0.07203070385854293,0.11843773559043246,0.20090295387567678,0.4059522993626208,0.19933092317181825
EOS-2-45331,Fc1cc(F)c(F)c(-n2cc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)cc34)cn2)c1,HYZXUJCSFOJJKB-UHFFFAOYSA-N,2,0,0.209,45,102,455.802,5.754,5,0.256,0.67,1.0,0.01419539442121856,0.04644129943115619,0.9951596874785826,0.9981666780892331,0.5134907648550476
EOS-2-45332,Fc1ccc(-c2nn(CCN=c3cc[nH]cc3)c3ncc(-c4ccc(Cl)cc4)cc23)cc1,UJRABVNDZASYQV-UHFFFAOYSA-N,2,0,0.193,83,148,443.913,5.487,5,0.39,0.52,0.824,0.08935302583784524,0.0070762798985676105,0.8243266397094099,0.8809026111986841,0.4504146391611267
EOS-2-45333,CC(C)n1cnnc1-c1ccc(Oc2nc3ccc(Cl)cc3nc2-c2cccnc2)cn1,QGJYNTZNKQSKER-UHFFFAOYSA-N,2,0,0.225,14,374,443.898,5.372,5,0.36,0.76,0.171,0.2708433280789528,0.16615550681927216,0.5292046467000205,0.43170447536152423,0.3494769892399424
EOS-2-45334,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)nc34)n2)cc1,MUUYBDGJJRMURL-UHFFFAOYSA-N,2,0,0.265,83,461,443.869,5.52,5,0.356,0.86,0.999,0.4085052429579878,0.24102186279213214,0.886942293194435,0.9034850250154205,0.6099886059899939
EOS-2-45335,O=C(O)CC1Oc2ccc(-c3ccc(F)c(F)c3F)cc2C(=O)N(Cc2ccccn2)C1=O,HEDOAIDEMRZKIM-UHFFFAOYSA-N,2,0,0.212,48,378,456.376,3.571,4,0.466,0.66,1.0,0.23307175656226442,0.03284558974710438,0.7881999177575217,0.7110033582345281,0.44128015557535466
EOS-2-45336,FC(F)Oc1ccc(-c2cc3c(OCc4cccc(-c5ccccn5)c4)cncc3nn2)cc1,PXBYSDTUAIXZLL-UHFFFAOYSA-N,2,0,0.303,79,640,456.452,5.934,5,0.302,0.63,1.0,0.3978565554108697,0.13574292372010144,0.979627852785964,0.9590500993763279,0.6180693578233157
EOS-2-45337,CN(C)CC(F)(F)Cn1nc(-c2ccc(S(N)(=O)=O)cc2)cc1-c1ccc(F)c(F)c1,RJYYUJFNSYKLLC-UHFFFAOYSA-N,2,0,0.268,0,999,456.465,3.34,3,0.553,0.91,0.997,0.08239668288671098,0.02260811459118635,0.9304622712631074,0.8739120005482832,0.477344767322322
EOS-2-45338,FC(F)(F)Oc1ccc(-c2cnn3c(Cl)c(-c4ccc(-c5cncnc5)cc4)oc23)cc1,ZJRKWXUUKFDKTO-UHFFFAOYSA-N,2,0,0.304,83,472,456.811,6.27,5,0.319,0.64,1.0,0.579715235419094,0.4583647453909944,0.9957593722157494,0.9932406963196491,0.7567700123363718
EOS-2-45339,Cn1nc(-c2cc(-c3cnc(Cl)c(F)c3)cnc2-c2ccc(F)cc2)cc1C1(F)COC1,DEMXYNPTLKYRDC-UHFFFAOYSA-N,2,0,0.217,96,46,456.855,5.338,5,0.389,0.59,1.0,0.16649818381193887,0.09626653416489617,0.9829775203892811,0.9799705297786306,0.5564281920361867
EOS-2-45340,Cc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(F)c(Cl)c4)c3)nc12,MJUGDDQLWPQFFR-UHFFFAOYSA-N,2,0,0.277,79,853,456.908,6.434,5,0.305,0.81,0.992,0.452522102666027,0.26116270303611816,0.9608834212870948,0.9572253443903777,0.6579483928449045
EOS-2-45341,Cc1nnc(-c2ccc(-c3nnc4c(-c5cc(F)c(F)cc5F)cc(Cl)cn34)nc2)o1,SKCUULSVFHWFRQ-UHFFFAOYSA-N,2,0,0.238,45,102,442.788,4.887,5,0.37,0.81,0.993,0.24956308683434994,0.2664998971969022,0.8951665410184361,0.9136025632239051,0.5812080220683984
EOS-2-45342,COc1nc(-c2nc(CO)ccc2-c2ccnc(-c3ccc(Cl)c(Cl)c3)n2)ccc1F,SWFGCXJDAHGYSE-UHFFFAOYSA-N,2,0,0.242,57,102,457.292,5.214,4,0.443,0.74,1.0,0.3383935302583784,0.1357514906449181,0.9270269344116236,0.8932818175587691,0.5736134432184223
EOS-2-45343,Clc1ccc(-c2nnn(Cc3ccc(-c4ccccn4)cc3)c2-c2ccc(Cl)cc2)cc1,BQOJZPJQNVJFEE-UHFFFAOYSA-N,2,0,0.228,83,148,457.364,7.029,5,0.285,0.89,0.993,0.06808135151805908,0.018581659927352476,0.945017476526626,0.9689534644643959,0.5001584881091083
EOS-2-45344,Cc1cc(C#N)c(F)cc1-c1cc2c(-c3nnc(-c4ccc(F)cc4F)n3C)cncc2nn1,KZZLGEJVUWJYSB-UHFFFAOYSA-N,2,0,0.262,45,252,457.419,4.752,5,0.388,0.63,1.0,0.21647762319237887,0.2611712699609348,0.9270355013364403,0.9244654238914399,0.5822874545952985
EOS-2-45345,O=c1cc(-c2ccc(OCc3ccc(F)cc3F)cc2)[nH]c2cc(-c3cccc(F)c3)ccc12,QXBFPTFHGMGXHU-UHFFFAOYSA-N,2,0,0.196,83,148,457.451,6.858,5,0.313,0.93,1.0,0.3081779864299911,0.12884654924268385,0.997549859502433,0.9993489137139332,0.6084808272222603
EOS-2-45346,Cn1cc(-c2cc(-c3ccc(C#N)cc3)nn2Cc2ccc(-c3ccccc3)cc2)ccc1=O,DPXREQHEILASDA-UHFFFAOYSA-N,2,0,0.229,21,47,442.522,5.503,5,0.361,0.83,1.0,0.03706908368172161,0.00012850387225001714,0.9382924405455417,0.9136111301487219,0.4722752895620588
EOS-2-45347,O=[N+]([O-])c1cc(-c2ccc(COc3ccc(-c4nnco4)cc3)c(F)c2)c2ncccc2c1,ONCYADNYWUYRAI-UHFFFAOYSA-N,2,0,0.224,79,148,442.406,5.578,5,0.25,0.85,1.0,0.42228085806318966,0.0537574532245905,0.9217240079501062,0.773284901651703,0.5427618052223974
EOS-2-45348,Fc1cc(Oc2ccc(-c3nnco3)cc2)ncc1-c1cn2ccc(C(F)(F)F)nc2n1,KFEYXGHDMQGVHN-UHFFFAOYSA-N,2,0,0.238,96,315,442.332,4.792,5,0.37,0.67,1.0,0.560165512987458,0.4407340141182921,0.9764238229045302,0.9136196970735385,0.7227357617709548
EOS-2-45349,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(Cl)c5)n34)nc2)nn1,WUTFDMLMLYQRPW-UHFFFAOYSA-N,2,1,0.344,96,140,399.845,4.272,5,0.45,0.81,1.0,0.122524158727983,0.28722328832842164,0.5728959632650263,0.6591049276951545,0.4104370845041464
EOS-2-45350,Cc1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)ccc1Cl,WJNGDTXSXCLNCI-UHFFFAOYSA-N,2,1,0.338,82,478,399.845,4.272,5,0.45,0.79,1.0,0.27085189500376944,0.43671612637927487,0.770346446439586,0.792063600849839,0.5674945171681174
EOS-2-45351,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cncnc5Cl)n34)cc2)cn1,LZCOZORVXFIWRR-UHFFFAOYSA-N,2,1,0.359,96,303,399.845,4.272,5,0.421,0.84,1.0,0.2572390514700843,0.35673531629086425,0.7191505037351792,0.7402851072578988,0.5183524946885066
EOS-2-45352,Cc1cc(Cl)cnc1-c1nnc2cncc(-c3ccc(-c4ccccn4)nc3)n12,MTXWMLIPRLMRFM-UHFFFAOYSA-N,2,1,0.323,70,191,399.845,4.272,5,0.45,0.88,1.0,0.26555753546706873,0.3662274689877322,0.4529761496813104,0.5402645466383387,0.4062564251936125
EOS-2-45353,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)cc1,KHTMERFMJYQLEJ-UHFFFAOYSA-N,2,1,0.346,96,856,399.845,4.272,5,0.45,0.83,1.0,0.3056764443835241,0.41849427729422245,0.48082722226029745,0.5501679117264067,0.4387914639161127
EOS-2-45354,COc1cc(-c2nnc3cnc4ccccc4c2n3)ccc1-c1nc(Cl)ncc1NC(C)=O,XAHFYQPDAZQQSM-UHFFFAOYSA-N,2,0,0.206,62,697,457.881,4.347,5,0.399,0.65,0.055,0.20011479679254335,0.005902611198684121,0.26475224453430196,0.13473202659173464,0.151375419779316
EOS-2-45355,N#Cc1ccc(-n2ccc(F)c2)c(C(=O)N2CCCc3cc(-c4cncc(Cl)c4)cnc32)c1,FSRKCEPKWKAIJO-UHFFFAOYSA-N,2,0,0.197,0,999,457.896,5.191,5,0.424,0.72,1.0,0.07806181892947707,0.011762387773284902,0.610556164759098,0.7756750736755534,0.3690138612843533
EOS-2-45356,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)cc1,SNHRFSUTGXXDNX-UHFFFAOYSA-N,2,1,0.545,83,480,399.841,5.299,5,0.41,0.88,1.0,0.8901206223014186,0.9419847851415256,0.8477743129326297,0.8836611609896512,0.8908852203413062
EOS-2-45357,Oc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1,KDKAAPPEZAMKHG-UHFFFAOYSA-N,2,1,0.435,83,558,399.841,4.879,5,0.468,0.83,1.0,0.4222894249880063,0.6836148995956411,0.8795918717017339,0.9092934000411212,0.7236973990816257
EOS-2-45358,Clc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccccc5)n34)c2)nc1,VDRBVMSLAXVIPP-UHFFFAOYSA-N,2,1,0.573,79,480,399.841,5.299,5,0.41,0.85,1.0,0.6703018984305393,0.6836234665204578,0.8316770612021109,0.8694571996436159,0.763764906449181
EOS-2-45359,Clc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccncc5)n34)cc2)cc1,LSFDIGAJPHSJKK-UHFFFAOYSA-N,2,1,0.614,83,913,399.841,5.299,5,0.41,0.86,1.0,0.7638013158796518,0.9031337810979371,0.9020800493454869,0.9213470632581728,0.8725905523953121
EOS-2-45360,Clc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,IYZNDSNAJWXECE-UHFFFAOYSA-N,2,1,0.595,57,480,399.841,5.299,5,0.41,0.86,1.0,0.709589815639778,0.7622849701871016,0.8382735933109451,0.8823161537934343,0.7981161332328148
EOS-2-45361,Oc1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)ccc1Cl,UJYPWOYTHVOTOE-UHFFFAOYSA-N,2,1,0.347,69,558,399.841,4.879,5,0.468,0.78,1.0,0.42927146871359056,0.5675844698786924,0.8822733191693509,0.9048043314371873,0.6959833972997053
EOS-2-45362,O=C1c2cc(-c3ccc(Cl)cc3)ccc2OCCN1Cc1ccc(-c2cnccn2)cc1,NSOLGBLDCDTTKO-UHFFFAOYSA-N,2,0,0.258,79,148,441.918,5.499,5,0.419,0.9,1.0,0.14163696799396888,0.007084846823384278,0.7681961483106025,0.8118103625522582,0.43218208142005343
EOS-2-45363,Fc1cc(-c2ccc3[nH]cnc(=Nc4ccc(Oc5ccccc5)cc4)c3c2)ccc1Cl,FVVAFYXDYBJGHO-UHFFFAOYSA-N,2,0,0.204,17,590,441.893,7.047,5,0.325,0.84,1.0,0.05212117058460695,0.015506133918168734,0.9862843533685148,0.9855133301350147,0.5098562470015764
EOS-2-45364,NC1=NC2(CO1)c1cc(-c3ccc(Cl)cc3)ccc1Oc1cnc(-c3cncnc3)cc12,DTUOJJVANJQREZ-UHFFFAOYSA-N,2,0,0.182,57,3,441.878,4.553,6,0.49,0.46,0.116,0.16922246590363924,0.022616681516003014,0.9217325748749229,0.8766277157151668,0.497549859502433
EOS-2-45365,Fc1cccc(-c2ncc(-c3cc4c(-c5nncc(-c6ccccc6)n5)cncc4nn3)cn2)c1,XYZMTTZNXJAIDL-UHFFFAOYSA-N,2,0,0.264,30,553,458.46,4.807,6,0.371,0.58,1.0,0.070017476526626,0.005911178123500788,0.6464944143650195,0.6708930162428894,0.34832902131450894
EOS-2-45366,N#Cc1ccccc1-c1ccc(-c2nc3nccc(-c4ccc(-c5nnco5)cc4)c3s2)cn1,RUVCPORBNKYPTK-UHFFFAOYSA-N,2,0,0.182,69,695,458.506,6.009,6,0.319,0.73,1.0,0.1281097937084504,0.008429854019601123,0.7682047152354191,0.732335001028031,0.4092698409978754
EOS-2-45367,O=C(Oc1coc(CSc2nnc(-c3ccc(F)cc3)o2)cc1=O)c1ccc(Cl)cc1,CFDDIDXNTSOGIY-UHFFFAOYSA-N,2,0,0.252,57,372,458.854,4.994,4,0.294,0.92,1.0,0.3684034678911658,0.12178740319374957,0.8186210677815091,0.7556541703790007,0.5161165273113564
EOS-2-45368,Fc1cc(-c2nc(-c3nc(-c4ccc(Cl)cc4)cs3)cs2)ccc1C(F)(F)F,YWNIHQXBUMUSFK-UHFFFAOYSA-N,2,0,0.215,83,148,440.874,7.412,4,0.31,0.92,1.0,0.15300527722568708,0.08984134055239532,0.9990833390446165,0.9990919059694332,0.560255465698033
EOS-2-45369,Clc1ccc(CN=c2cccc(-c3cncc4nnc(-c5ccccc5Cl)cc34)[nH]2)nc1,ZZYDUMPJINGUOC-UHFFFAOYSA-N,2,0,0.193,57,616,459.34,5.49,5,0.386,0.43,0.549,0.007221917620450963,0.0002484408196833665,0.9009149475704201,0.9170293331505722,0.45635365979028164
EOS-2-45370,Fc1cc(C2CN(c3ccc4nnc(-c5ccc(OC(F)F)cc5)nc4n3)C2)cc(F)c1F,ZUZVLPOOGXIBIU-UHFFFAOYSA-N,2,0,0.409,48,444,459.378,4.709,5,0.318,0.75,1.0,0.2655661023918854,0.38067987115345076,0.9629994517168118,0.9597011856623946,0.6422366527311356
EOS-2-45371,OCc1nnc(-c2cnc(-c3ccc(Oc4ncc(F)cn4)cc3)c(-c3ccc(F)cc3)c2)o1,FUIVJNKQGWVJRG-UHFFFAOYSA-N,2,0,0.206,83,148,459.412,4.818,5,0.385,0.8,0.811,0.3935730930025358,0.09627510108971284,0.8225104516482763,0.748115276540333,0.5151184805702145
EOS-2-45372,COc1ccccc1-c1ccc(-n2c(=O)ccc3nnc(-c4ccc(F)cc4F)cc32)c(F)c1,RYQULHNRFQBNDV-UHFFFAOYSA-N,2,0,0.206,83,148,459.427,5.541,5,0.354,0.75,0.879,0.15301384415050373,0.061450551709958195,0.982720512644781,0.9799790967034473,0.5442910013021726
EOS-2-45373,CC(O)Cc1cnn(-c2ncc(-c3ccc(OC(F)F)cc3)cn2)c1-c1ccc(F)cc1,MJLIMCVDMWYHBX-UHFFFAOYSA-N,2,0,0.319,96,574,440.425,4.66,4,0.453,0.77,1.0,0.16650675073675553,0.0834846823384278,0.9707525186758961,0.9473819477760264,0.5420314748817765
EOS-2-45374,Fc1ccc(-c2cccc(C(Nc3ccc(C(F)(F)F)cc3)c3cccc(F)n3)c2)cc1,PNJGPVPJXWAKQJ-UHFFFAOYSA-N,2,0,0.206,79,148,440.415,7.247,4,0.261,0.92,1.0,0.04162668768418888,2.5700774450003426e-05,0.9999057638270167,0.9999314646014666,0.5103724042217805
EOS-2-45375,Cn1cnnc1-c1ccc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1,JWJFPBVYFKDQJM-UHFFFAOYSA-N,2,0,0.416,79,590,459.855,6.526,4,0.329,0.91,1.0,0.41749194709067233,0.33197690357069426,0.9988777328490165,0.9959221437872661,0.6860671818244123
EOS-2-45376,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)cc23)cc1F,PXIYTXFIYHMPRL-UHFFFAOYSA-N,2,0,0.33,83,148,459.883,6.869,5,0.288,0.78,0.999,0.46868788979507914,0.2560139812213008,0.9940545541772325,0.9969501747652663,0.6789266499897197
EOS-2-45377,Clc1ccc(-c2cn(-c3ccc4c(-c5ccc(-c6nc[nH]n6)cn5)ncn4n3)cn2)cc1,YUBPNOFIWJDYFW-UHFFFAOYSA-N,2,0,0.186,96,154,439.87,4.083,6,0.444,0.6,0.342,0.010391679802618053,0.014152559797135221,0.552815091494757,0.582422383661161,0.2899454286889178
EOS-2-45378,Fc1cccc(F)c1-c1cc(-c2[nH]ncc2Cl)nn1Cc1ccc(Cl)c(Cl)c1,BXHBVCIJIWTQAM-UHFFFAOYSA-N,2,0,0.226,23,627,439.68,6.227,4,0.41,0.88,1.0,0.17735247755465697,0.11231238434651497,0.9940631211020492,0.9991947090672332,0.5707306730176136
EOS-2-45379,N#Cc1cccc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)c1,BTASDSHDZUMJNY-UHFFFAOYSA-N,2,1,0.361,22,888,399.805,2.959,5,0.458,0.71,1.0,0.05212973750942362,0.29762353505585637,0.36469398944554865,0.5792697553286272,0.32342925433486397
EOS-2-45380,N#Cc1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)nc5)nn4)n23)cc1,BYCISHWOVLIBOQ-UHFFFAOYSA-N,2,1,0.455,74,997,399.805,2.959,5,0.429,0.73,1.0,0.035595572613254745,0.24606778150914949,0.6134260845726818,0.705023644712494,0.400028270851895
EOS-2-45381,O=C(c1ccc(Cl)cc1)N1CCC(C(c2ccc(Cl)cc2)c2ccc(F)c(F)c2)CC1,ZQVHLGZJUFSXOY-UHFFFAOYSA-N,2,0,0.264,0,378,460.351,6.956,4,0.412,0.89,0.997,0.04727229113837297,0.0032896991296004385,0.9661435131245288,0.9937632787334658,0.502617195531492
EOS-2-45382,Fc1ccc(-c2ccc(-c3cccc(-c4nnc5ccc(-c6ccc(F)cc6)nn45)c3)cc2)cc1,MEPKFWWBEJHVKM-UHFFFAOYSA-N,2,0,0.247,21,452,460.487,7.071,6,0.283,0.87,1.0,0.17736104447947365,0.14311904598725242,0.9737937769858132,0.9840055513672812,0.569569854704955
EOS-2-45383,Fc1cc(F)cc(-c2ccc(Cn3cc(-c4ccc(Oc5ccccc5)cc4)nn3)cc2)c1,RBSFMFTYKGWVJA-UHFFFAOYSA-N,2,0,0.236,17,403,439.465,6.731,5,0.294,0.89,1.0,0.035604139538071414,0.0020817627304502775,0.9819152217120143,0.979319443492564,0.499730141868275
EOS-2-45384,Fc1ccc(COc2ccc(-c3ccc4ncccc4c3)c(Oc3ccc(F)cc3)c2)cc1,WKFHKBJKAKHDPW-UHFFFAOYSA-N,2,0,0.28,79,148,439.461,7.551,5,0.274,0.84,1.0,0.3545850181618806,0.08984990747721198,0.9953395928997327,0.9967188677952162,0.6091233465835104
EOS-2-45385,N#Cc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)cc1,ISYLFNBJZNFSSK-UHFFFAOYSA-N,2,1,0.465,3,574,399.801,4.033,5,0.45,0.84,1.0,0.30568501130834075,0.7033445274484271,0.7036358028921939,0.8072955931738743,0.6299902337057091
EOS-2-45386,N#Cc1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)c(Cl)c1,DQEUJUKDVUQEQJ-UHFFFAOYSA-N,2,1,0.39,96,574,399.801,4.033,5,0.45,0.86,0.999,0.2679562744157357,0.5351415255979713,0.6372078678637516,0.7556627373038174,0.548992101295319
EOS-2-45387,Cc1ncc(-c2ccc(-c3nn(C)c(C4CC(F)(F)C4)c3-c3cc[nH]c(=N)c3)cc2F)o1,NILKPYYKUDCFIO-UHFFFAOYSA-N,2,0,0.173,0,999,439.441,5.177,5,0.46,0.56,1.0,0.05534233431567404,0.015514700842985401,0.9278065245699404,0.8739205674730999,0.4681460318004249
EOS-2-45388,Cn1cnnc1-c1ccc(-c2ncnc3c2CCN(c2cnc(Cl)c(Cl)c2)C3)nc1,LDWONDFENZMWJV-UHFFFAOYSA-N,2,0,0.205,68,244,439.31,3.599,5,0.451,0.77,1.0,0.053731752450140495,0.009098074155301212,0.06402062915495854,0.20660852580357755,0.08336474539099445
EOS-2-45389,O=C1NCc2ncc(-c3ccc(Cl)cc3Cl)cc2N1c1c(Cl)cccc1Cl,VSVCJTZVMDQZNM-UHFFFAOYSA-N,2,0,0.212,23,370,439.129,6.724,4,0.482,0.66,0.989,0.057218490850524294,0.004480501679117264,0.9584075800150778,0.9873466520457816,0.5018633061476252
EOS-2-45390,Fc1ccc(-c2c(-c3ccc(Cl)cc3)ncn2Cc2ccc(-c3ccccc3)cc2)cc1,IMCUDONZFLSUAB-UHFFFAOYSA-N,2,0,0.22,21,148,438.933,7.725,5,0.274,0.93,1.0,0.2219518881502296,0.12179597011856624,0.989634020971832,0.9951682544033994,0.5821375334110068
EOS-2-45391,NC1=NC2(CO1)c1cc(-c3ccc(Cl)cc3F)ccc1Oc1c(F)cc(C3CC3)cc12,KPEGYELXSPSWJU-UHFFFAOYSA-N,2,0,0.173,48,378,438.861,5.857,6,0.545,0.37,0.372,0.22196045507504625,0.08678294839284491,0.9861044479473648,0.9857874717291482,0.570158830786101
EOS-2-45392,Fc1cc(-c2cc3c(-c4nnc(-c5cccc(F)c5F)[nH]4)cncc3nn2)ccc1Cl,WLTRSOZARHHODE-UHFFFAOYSA-N,2,0,0.19,45,102,438.8,5.215,5,0.418,0.55,1.0,0.15842814063463778,0.1321533822219176,0.979859159756014,0.9873552189705983,0.564448975395792
EOS-2-45393,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)cc23)c1,GXSKPUASGSYBIE-UHFFFAOYSA-N,2,0,0.225,83,853,461.418,6.494,5,0.281,0.69,1.0,0.39572339113151944,0.19613974367760947,0.9968216708930162,0.9984236858337331,0.6467771228839696
EOS-2-45394,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)cc23)cc1F,WBFUKBQWTUYPAZ-UHFFFAOYSA-N,2,0,0.289,83,853,461.418,6.494,5,0.281,0.72,1.0,0.4406312110204921,0.22563566582139674,0.9970444109382496,0.9985264889315332,0.6654594441779179
EOS-2-45395,c1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6cncnc6)nc5)cc34)n2)nc1,MLBMRANBKLTZIV-UHFFFAOYSA-N,2,0,0.204,94,165,461.445,3.568,6,0.36,0.58,1.0,0.053740319374957164,0.004489068603933932,0.26859022685216916,0.2094441779178946,0.13406594818723871
EOS-2-45396,O=C(c1cncc(-c2cccnc2)n1)N1CCCc2cc(-c3ccc(-c4nnco4)cc3)cnc21,HNOLIFPJLLCRPL-UHFFFAOYSA-N,2,0,0.187,41,376,461.485,4.244,6,0.391,0.82,1.0,0.013561441984785141,8.56692481666781e-05,0.0422606401206223,0.08235384826262765,0.03456539990405044
EOS-2-45397,Cn1cnnc1-c1ccc(-c2nnc3cncc4n2c(cccc(-c2cccnn2)c3)CO4)cc1,FPCNUCYWFHEHOV-UHFFFAOYSA-N,2,0,0.222,67,734,461.489,3.394,6,0.457,0.58,1.0,0.2522531012267836,0.04999657323007333,0.20799636762387774,0.11963710506476595,0.15747078678637516
EOS-2-45398,COC(C)(C)NC(=O)c1ccc(OCc2onc(-c3ccc(F)cc3)c2-c2ccccc2)nc1,KGHOMOFMVJTFCR-UHFFFAOYSA-N,2,0,0.24,79,366,461.493,5.234,4,0.362,0.87,1.0,0.3431139058323624,0.012790418751285039,0.8398413405523953,0.5854036734973613,0.445287334658351
EOS-2-45399,COC(C)(C)c1ccc(-c2nc(-c3cnc(C)cn3)cc(-c3nnc4ccccn34)n2)cn1,FTERYIBJFABHLA-UHFFFAOYSA-N,2,0,0.213,82,974,438.495,3.895,5,0.407,0.65,0.995,0.06420910150092522,0.0011651017750668221,0.3311116441642108,0.1371136316907683,0.13339986978274276
EOS-2-45400,Cn1cc(-c2ccc(-c3nnc4cncc(OC5CCOc6ccccc65)n4C3)cc2)cn1,UAOXQOZTAJQDBN-UHFFFAOYSA-N,2,0,0.197,0,576,438.491,3.929,6,0.619,0.53,0.001,0.19177917894592558,0.0023045027756836405,0.18393187581385786,0.06767013912685903,0.11142142416558154
EOS-2-45401,COc1cccc(C(=O)Oc2ccc(-c3nncn3Cc3ccc(-c4ccccc4)cc3)cc2)c1,HDSSDZLPWMTIBE-UHFFFAOYSA-N,2,0,0.27,17,403,461.521,5.888,5,0.223,0.92,1.0,0.07807038585429374,0.0011736686998834898,0.8881159618943184,0.7609313960660681,0.43207285312864097
EOS-2-45402,C[S+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)cnc2-c2ccc(Cl)cc2)cc1,LOMBVFOHZCFOMO-UHFFFAOYSA-N,2,0,0.212,83,148,438.379,7.127,4,0.318,0.71,0.974,0.04011890891645535,0.0016020149407168802,0.9977383318483997,0.9991347405935166,0.5096484990747722
EOS-2-45403,Cc1nnc(-c2ccc(-n3cnc(-c4ccc(C(F)(F)F)cc4)c3-c3nn[nH]n3)cc2)o1,JJZCXCUGECWETP-UHFFFAOYSA-N,2,0,0.186,61,574,438.373,4.097,5,0.45,0.77,0.999,0.047280858063189636,0.001610581865533548,0.8963659104927695,0.787368926050305,0.4331565691179494
EOS-2-45404,Cc1nc(-c2ccnc(F)c2)c(-c2c(F)cc3c(C(F)(F)F)cc(=O)[nH]c3c2F)n1C,OCFKCEVNFCBTGW-UHFFFAOYSA-N,2,0,0.167,23,861,438.331,4.735,4,0.364,0.63,0.711,0.30818655335480777,0.18289527791104104,0.9971986155849496,0.9926410115824823,0.6202303646083202
EOS-2-45405,Cc1cccc(N=c2[nH]c(COc3cncc4nnc(-c5ccc(Cl)nc5)cc34)cs2)n1,STAMDOFPKVTAOO-UHFFFAOYSA-N,2,0,0.156,14,284,461.938,4.645,5,0.382,0.43,0.762,0.1041909396203139,0.003683777671167158,0.5292132136248372,0.402876773353437,0.2599911760674388
EOS-2-45406,O=c1c(Br)c(-c2ccc(C(F)(F)F)cc2)oc2c(Cl)cc(Cl)cc12,CSLYFXKAODLKIJ-UHFFFAOYSA-N,2,0,0.213,23,240,438.026,6.548,3,0.432,0.88,0.999,0.3286358028921938,0.15076930984853676,0.99992289767665,0.9999914330751833,0.619829860873141
EOS-2-45407,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1,YBOWUKARTZANKA-UHFFFAOYSA-N,2,1,0.625,48,17,399.769,4.071,4,0.371,0.83,1.0,0.9768607360701802,0.8666815160030156,0.8299636762387773,0.7110119251593447,0.8461294633678295
EOS-2-45408,Cn1cnc(-c2ccc(Cl)c(F)c2)c1-c1nn2cc(-c3ccc(F)c(Cl)c3)nc2s1,HPMVJMVKTRVREZ-UHFFFAOYSA-N,2,0,0.204,45,102,462.312,6.11,5,0.325,0.77,0.981,0.08936159276266191,0.16239462682475497,0.9244140223425399,0.9627253101226784,0.5347238880131588
EOS-2-45409,COc1ccc(-c2nnc(Oc3cncc4nnc(-c5ccc(F)c(F)c5)cc34)cc2F)cn1,MTOQUGPDESQHPI-UHFFFAOYSA-N,2,0,0.224,45,573,462.391,4.762,5,0.369,0.59,0.968,0.39137996024946886,0.1585309437324378,0.927044068261257,0.8677095469810157,0.5861661298060448
EOS-2-45410,Cn1nnc(-c2nc(-c3ccc(F)cc3F)nnc2-c2ccc(-c3c[nH]c(=N)cn3)c(F)c2)n1,PIQDJZRYUWTQDC-UHFFFAOYSA-N,2,0,0.236,45,730,462.399,2.683,5,0.419,0.65,1.0,0.03437050236447125,0.008438420944417793,0.44920670276197655,0.49671886779521623,0.24718362346652045
EOS-2-45411,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)nc23)cc1F,NURZYSIXCRDDLO-UHFFFAOYSA-N,2,0,0.33,57,853,462.406,5.889,5,0.305,0.83,0.995,0.5575183332191077,0.297632101980673,0.9904992803783154,0.9915530121307655,0.7093006819272154
EOS-2-45412,FC(F)n1nnc(-c2ccc(-c3nnc4n3CCC(c3ccc(-c5ncco5)cc3)O4)cc2)n1,KXDFTMSXFQUPCS-UHFFFAOYSA-N,2,0,0.209,61,574,462.42,4.173,6,0.383,0.49,1.0,0.1611352888767048,0.10258035775478035,0.23613014872181481,0.23883729696388184,0.18467077307929547
EOS-2-45413,Cn1nnc(-c2ccc(-c3c(-c4ccc(F)cc4)ncn3CCc3ccc(F)c(F)c3)nn2)n1,BFARUWKGMWDEIG-UHFFFAOYSA-N,2,0,0.27,19,574,462.439,3.858,5,0.381,0.78,0.371,0.20552052635186074,0.05000514015489,0.5821739428414776,0.6421167157837023,0.3699540812829827
EOS-2-45414,Cc1nnc(-c2ccc(-c3c(-c4ccccn4)nnc4cc(OCC(C)C)ccc34)cc2)o1,UOXZPJLUBMXECI-UHFFFAOYSA-N,2,0,0.191,62,574,437.503,5.752,5,0.334,0.75,0.979,0.1471712014255363,0.001439243369200192,0.585283736549928,0.4094133369885546,0.28582687958330477
EOS-2-45415,Fc1ccc(-c2cc3c(-c4ccc(-c5nc(-c6ccccc6)cs5)nn4)cncc3nn2)cc1,UIDRGYVRFVCIHH-UHFFFAOYSA-N,2,0,0.242,93,93,462.513,6.078,6,0.316,0.63,0.999,0.03561270646288808,0.010888561441984785,0.7542406277842506,0.7827513535741211,0.39587331231581113
EOS-2-45416,Cn1c(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1-c1nnc(OC(F)F)o1,RGEPRVQHEHNIPU-UHFFFAOYSA-N,2,0,0.276,34,574,437.233,5.712,4,0.4,0.8,0.307,0.5162086217531355,0.44074258104310876,0.9186913165650058,0.9426787060516757,0.7045803063532314
EOS-2-45417,Fc1cc(C(F)(F)F)ccc1-c1cc2cnn(-c3ccccc3Br)c2nn1,ASFHVEDPLYPUGM-UHFFFAOYSA-N,2,0,0.221,48,240,437.194,5.403,4,0.395,0.79,0.999,0.06421766842574189,0.10584435610993077,0.9985521897059831,0.9983380165855664,0.5417380577068056
EOS-2-45418,CC(Oc1ccc(-c2nnco2)cc1)c1n[nH]c(-c2ccc(-c3ccc(Cl)c(F)c3)cn2)n1,SIVBZLUYGSIBKR-UHFFFAOYSA-N,2,0,0.232,83,574,462.872,5.516,5,0.354,0.63,0.995,0.4664347885682955,0.16240319374957166,0.8869508601192516,0.8240439311904598,0.5849581934068947
EOS-2-45419,CCn1cnnc1-c1nc(C)nc(Oc2cncc3nnc(-c4ccccc4Cl)cc23)c1F,XMVHQQNWOQFNCD-UHFFFAOYSA-N,2,0,0.205,22,252,462.876,4.653,5,0.371,0.62,0.047,0.2897590980741553,0.31801281611952575,0.29077856212733877,0.33915598656706186,0.3094266157220204
EOS-2-45420,CCn1cnnc1-c1cc(-n2cnc3c(F)cccc32)cc(-c2ccc(Cl)c(F)c2)n1,RBCZDRPGSOZVDZ-UHFFFAOYSA-N,2,0,0.174,45,102,436.853,5.298,5,0.383,0.77,0.979,0.03437906928928792,0.08349324926324446,0.8769361250085669,0.9012747584127202,0.47402080049345485
EOS-2-45421,Cc1onc(-c2ccc(Cl)cc2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)cc12,UAPOJQHSGNWEIV-UHFFFAOYSA-N,2,0,0.233,83,148,463.324,6.541,5,0.295,0.63,1.0,0.3978651223356864,0.20098005619902679,0.9186998834898225,0.9307878144061408,0.612083219107669
EOS-2-45422,Cn1nnnc1-c1ncc(-c2ccc(-c3nnc4c(C(=O)OC(C)(C)C)ccnn34)cc2F)o1,SOMWHEWMEINIKV-UHFFFAOYSA-N,2,0,0.237,61,917,463.433,2.731,5,0.366,0.63,1.0,0.28151771640052087,0.13576005756973478,0.06001987526557467,0.027071482420670277,0.12609228291412516
EOS-2-45423,COc1cnc(-c2cc3ncc(OCc4nccs4)nc3cc2-c2ccc(F)c(F)c2)cn1,XKUREHSZZBONBS-UHFFFAOYSA-N,2,0,0.295,97,560,463.469,5.076,5,0.347,0.77,1.0,0.33611472825714483,0.08679151531766158,0.8382821602357617,0.7161863477486121,0.4943436878897951
EOS-2-45424,Cc1onc(-c2ccccc2)c1C(=O)N1CCCc2cc(-c3ccc(-c4nnco4)cc3)cnc21,SYGHEDJUYMZTMR-UHFFFAOYSA-N,2,0,0.196,12,366,463.497,5.355,6,0.354,0.81,1.0,0.06072236310054143,0.0005225824138167364,0.04226920704543897,0.0894986635597286,0.04825320402988144
EOS-2-45425,Cc1nnc(-c2cccc(COCc3onc(-c4ccc(F)cc4)c3-c3nnn(C)n3)c2)s1,VXEKKRFZLNZUIN-UHFFFAOYSA-N,2,0,0.248,61,574,463.498,4.215,5,0.353,0.79,1.0,0.11149852648893153,0.03881673634432184,0.1805736412857241,0.19481187033102598,0.13142519361250085
EOS-2-45426,Cn1ccc(-c2cn(-c3cccc4c(-c5cc(-c6cncn6C)n(C)n5)nncc34)cn2)n1,QJYWBKDKEPQUNP-UHFFFAOYSA-N,2,0,0.142,99,813,436.483,3.017,6,0.421,0.48,0.787,0.00015420464670002056,5.9968473716674664e-05,0.23988246179151532,0.167449112466589,0.10188643684463025
EOS-2-45427,Fc1ccc(-c2cc(-c3ccc(C4CC4)cc3)nn2Cc2ccc(-c3ccncc3)cc2)cc1F,OVESCXVSLODDIO-UHFFFAOYSA-N,2,0,0.229,83,148,463.531,7.483,6,0.261,0.76,1.0,0.1611438558015215,0.03882530326913851,0.9806473168391474,0.9824206702761976,0.5407592865465013
EOS-2-45428,Cn1c(-c2ccc(C(F)(F)F)cc2)cnc1-c1c(-c2ccc(F)cc2)nn2ccccc12,GELRCJNVXJIENI-UHFFFAOYSA-N,2,0,0.232,83,148,436.412,6.227,5,0.315,0.91,1.0,0.13105681584538414,0.1624117606743883,0.9951682544033994,0.9929494208758823,0.5703965629497636
EOS-2-45429,Fc1ccc(-c2cc(F)c3c(c2)OC(c2ccc(Cl)nn2)c2c(C(F)(F)F)ccn2-3)cc1,CHPAQBVWPUGIRU-UHFFFAOYSA-N,2,0,0.212,57,148,463.793,6.367,5,0.324,0.6,0.994,0.2679648413405524,0.2410304297169488,0.9998543622781166,0.9998372284284833,0.6271717154410252
EOS-2-45430,N#Cc1ccccc1-c1c(-c2cncc3cc2c(-c2ccccc2Cl)nn3)cc2n1CCOC2,MOGOJNMHYYCSRG-UHFFFAOYSA-N,2,0,0.177,79,824,463.928,5.489,6,0.402,0.45,0.727,0.13892981975190186,0.11232095127133164,0.7495716537591666,0.7873774929751216,0.4470499794393804
EOS-2-45431,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)nc34)n(C)n2)n1C,HTLYRRHWCHHQDZ-UHFFFAOYSA-N,2,0,0.238,22,844,435.854,3.384,5,0.428,0.77,0.354,0.11456548557329861,0.1661640737440888,0.19047700637379206,0.28021554382838737,0.1878555273798917
EOS-2-45432,Fc1ccc(-n2cc(-c3ccc(C(F)(F)F)c(-c4ccc(Cl)cc4)c3)nn2)cc1F,DRRFZLWEVLZLLQ-UHFFFAOYSA-N,2,0,0.228,83,148,435.783,6.552,4,0.341,0.89,1.0,0.05535090124049071,0.03594681653073813,0.9998886299773834,0.9999485984511,0.522783736549928
EOS-2-45433,O=C(c1c(Cl)cc(F)cc1Cl)N1CCCc2cc(-c3ccc(Cl)cc3)cnc21,JFVIYXHXIFKYBW-UHFFFAOYSA-N,2,0,0.219,23,370,435.713,6.441,4,0.464,0.9,0.999,0.0607309300253581,0.020397847988486054,0.8205229250908094,0.9614060037009116,0.4657644267013913
EOS-2-45434,COc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)cc34)n(C)n2)nn1,KSMMQTWJPXXDGL-UHFFFAOYSA-N,2,0,0.22,19,574,464.316,4.865,5,0.375,0.66,0.103,0.23308032348708108,0.18290384483585773,0.7727537523130698,0.7609399629908848,0.48741947090672333
EOS-2-45435,COCn1c(-c2[nH]c(-c3ccc(OC(F)(F)F)c(F)c3)nc2-c2ccc(F)cc2)cnc1C,GKCSDCPLZVQDID-UHFFFAOYSA-N,2,0,0.187,48,444,464.394,5.696,4,0.372,0.82,0.806,0.3361232951819615,0.20547769172777738,0.9932835309437325,0.9807244191624974,0.6289022342539922
EOS-2-45436,Cn1c(-c2ccc(OC(F)(F)F)cc2)nnc1-c1ccc(-c2nnc(-c3ccccn3)o2)cc1,KPCFPQOCAXDPCI-UHFFFAOYSA-N,2,0,0.342,83,574,464.407,5.16,5,0.355,0.84,1.0,0.36160989651154823,0.22031560551024604,0.9042817490233706,0.8031235007881571,0.5723326879583305
EOS-2-45437,Cn1c(-c2ccc(OC(F)(F)F)cc2)nnc1-c1ccc2cc(-c3ccc(F)cc3)cnc2c1,SPBORVRCGSNAPH-UHFFFAOYSA-N,2,0,0.337,83,148,464.422,6.402,5,0.289,0.82,1.0,0.3707165375916661,0.5033068329792337,0.9943886642450825,0.9919299568226989,0.7150854979096704
EOS-2-45438,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)c(Cl)c5)nc4)n23)nc1Cl,NUWAWJHZOOZNDU-UHFFFAOYSA-N,2,1,0.5,84,141,500.296,4.85,5,0.308,0.69,0.762,0.9050099376327874,0.9479045301898431,0.8676067438832157,0.8905061339181687,0.9027568364060038
EOS-2-45439,Fc1cc(Cl)cnc1CCOc1cncc2nnc(-c3cnnc(-c4cccc(Cl)c4F)c3)n12,ILPGNCMVLPNYAS-UHFFFAOYSA-N,2,1,0.46,88,141,500.296,4.85,5,0.329,0.64,1.0,0.8572921664039477,0.8640086354602152,0.864762524844082,0.9136282639983552,0.87492289767665
EOS-2-45440,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncc4Cl)n23)cc1,YNHIZHHLRJRXGJ-UHFFFAOYSA-N,2,1,0.512,43,51,500.296,5.467,5,0.306,0.71,1.0,0.9588787608799945,0.9510571585223768,0.944400657939826,0.9487269549722431,0.9507658830786101
EOS-2-45441,Fc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1-c1ccc(Cl)nn1,TVTASORPWCLNEB-UHFFFAOYSA-N,2,1,0.495,88,639,500.296,4.85,5,0.308,0.65,1.0,0.9565828250291275,0.9589901309026112,0.8586543074497979,0.8961774381468028,0.917601175382085
EOS-2-45442,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)c(F)c5F)cn4)n23)ccc1Cl,XVICMRLTZLRZJA-UHFFFAOYSA-N,2,1,0.452,73,401,500.296,5.116,5,0.31,0.68,1.0,0.8414005208690288,0.930033925022274,0.9150332396682886,0.9213556301829895,0.9019558289356452
EOS-2-45443,Cc1ncc(-c2nccc(-c3nnc4cncc(OCc5c(Cl)ccc(F)c5Cl)n34)c2F)cn1,QWPBJXRXKLQLGB-UHFFFAOYSA-N,2,1,0.461,73,577,500.296,5.116,5,0.31,0.54,1.0,0.8459581248714961,0.8640172023850319,0.9020886162703036,0.9136368309231718,0.8814251936125009
EOS-2-45444,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nn2)ccc1Cl,BAKBGMXECPTYAG-UHFFFAOYSA-N,2,1,0.506,19,691,500.296,4.85,5,0.308,0.63,0.734,0.9358251661983414,0.9077342197244876,0.8834041532451511,0.9202504968816394,0.9118035090124048
EOS-2-45445,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cc5F)n34)nn2)ccc1Cl,TYOXXSGDOIIETC-UHFFFAOYSA-N,2,1,0.446,54,691,500.296,4.85,5,0.329,0.66,0.969,0.8789407854156672,0.8610787471729148,0.829972243163594,0.897385374545953,0.8668442875745321
EOS-2-45446,Fc1ccc(-c2nc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cnc2Cl)cc1F,HAVZDGWDMBPSAJ-UHFFFAOYSA-N,2,1,0.453,88,141,500.296,4.85,5,0.329,0.77,0.999,0.8573007333287643,0.8939329038448358,0.8051195942704407,0.8779555890617504,0.8585772051264479
EOS-2-45447,Fc1cc(-c2cnc(F)c(Cl)c2)ncc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,UNTWKJJQCHVBRU-UHFFFAOYSA-N,2,1,0.473,73,429,500.296,4.85,5,0.308,0.55,0.994,0.9098074155301213,0.917629017887739,0.8891782605715852,0.918091631827839,0.9086765814543211
EOS-2-45448,FC(F)c1nc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1-c1ccc(Cl)cc1,UVEJQIFEVGGFQS-UHFFFAOYSA-N,2,1,0.404,27,71,500.296,5.467,5,0.306,0.66,1.0,0.7279744362963471,0.8240781988897266,0.8769446919333836,0.8946867932287026,0.83092103008704
EOS-2-45449,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5Cl)n34)nc2F)nc1,HRRNUSRGKCDBDE-UHFFFAOYSA-N,2,1,0.495,73,665,500.296,4.85,5,0.308,0.67,1.0,0.8971969021999863,0.9077427866493044,0.8134038105681585,0.8709992461106162,0.8723356863820163
EOS-2-45450,N=c1cnc(-c2ccc(-c3ccc(F)cc3-c3ccc(-c4ccccc4)cc3)cc2F)c[nH]1,AIHNGZGGKVCLLA-UHFFFAOYSA-N,2,0,0.192,21,452,435.477,6.835,5,0.319,0.94,1.0,0.05374888629977383,0.0004797477897333973,0.992264066890549,0.9942772942224659,0.5101924988006306
EOS-2-45451,Fc1cc(-c2nnc3ccc(-c4ccnc(-c5ccccc5)n4)nn23)ccc1-c1cnco1,FOJMZNRHOPRGAJ-UHFFFAOYSA-N,2,0,0.244,93,737,435.422,4.709,6,0.396,0.8,1.0,0.289767664998972,0.17480810088410664,0.5852923034747447,0.6130491398807484,0.4157293023096429
EOS-2-45452,FC(F)(F)Cn1ncc(-c2nnc3cnccc3n2)c1-c1ccc(-c2cccnn2)nc1,JWBYNUJIINKHFJ-UHFFFAOYSA-N,2,0,0.167,50,243,435.373,3.365,5,0.423,0.67,0.994,0.14717976835035296,0.029847166061270646,0.6372164347885683,0.5501764786512233,0.3411049619628538
EOS-2-45453,Cn1nc(-c2ccc(OC(F)F)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)nc21,LUGWZVVBWBLTLU-UHFFFAOYSA-N,2,0,0.309,48,444,435.352,5.802,4,0.372,0.92,1.0,0.2628846549242684,0.20548625865259407,0.9987834966760332,0.9967274347200329,0.6159704612432321
EOS-2-45454,Fc1ccc(-c2ccc(-c3nnn(C(F)(F)c4ccc(Cl)cc4)n3)cc2)c(Cl)c1,UURIUVTZUFIBKD-UHFFFAOYSA-N,2,0,0.236,83,148,435.236,6.051,4,0.392,0.86,1.0,0.1389383866767185,0.1321619491467343,0.9981238434651497,0.9990576382701666,0.5670704543896923
EOS-2-45455,Cc1cc(Cl)nc2ccc(Cn3nc(-c4cc(F)ncc4F)cc3-c3ccc(F)cc3)cc12,GIOPFURUBWTJBE-UHFFFAOYSA-N,2,0,0.174,83,148,464.878,6.588,5,0.282,0.86,1.0,0.24957165375916662,0.1288551161675005,0.9875265574669316,0.9885802892193818,0.588633404153245
EOS-2-45456,Cc1cc(-c2cccnn2)nn2nnc(-c3ccc(-c4cncn4CCF)cc3Cl)c12,WIBSPPQVTLQOSE-UHFFFAOYSA-N,2,0,0.157,22,844,434.866,4.043,5,0.415,0.63,0.927,0.0759800561990268,0.05766397094099102,0.3683092317181824,0.45689980124734425,0.23971326502638612
EOS-2-45457,COc1cc(-c2nncn2C)ccc1-c1nccc2c(-c3ccc(Cl)cc3F)cnn12,NXHSHWNUJRGQOG-UHFFFAOYSA-N,2,0,0.233,61,697,434.862,4.66,5,0.411,0.84,1.0,0.2112517990542115,0.27158865053800285,0.8333561784661778,0.807304160098691,0.5308751970392708
EOS-2-45458,Cc1nnc(-c2cc(-c3cc(-c4cnc(Cl)nc4)n(C)n3)nc(-c3nncn3C)c2)o1,LENKCNFPMWQKEN-UHFFFAOYSA-N,2,0,0.167,99,259,434.851,2.746,5,0.392,0.6,0.898,0.05722705777534096,0.01552326776780207,0.0767510794325269,0.05003084092934,0.04988306147625249
EOS-2-45459,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)nc12,HKZZATIJMXIFKC-UHFFFAOYSA-N,2,0,0.265,48,240,434.78,5.477,4,0.398,0.9,1.0,0.5113083407580015,0.3319854704955109,0.9983208827359331,0.997961071893633,0.7098939414707697
EOS-2-45460,N#Cc1ccccc1OS(=O)(=O)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)c(F)c1,PSVHGVQXRRKHRT-UHFFFAOYSA-N,2,0,0.255,48,254,465.289,4.725,3,0.588,0.95,0.998,0.27576930984853676,0.00844698786923446,0.9643530258378452,0.9659550407785621,0.5536310910835446
EOS-2-45461,Cc1nnc(-c2ccc(-c3c(-c4ccc(F)cc4)nc(-c4nnc(C)o4)n3C)c(F)c2)o1,OARYBHJFERCWGO-UHFFFAOYSA-N,2,0,0.221,83,574,434.406,4.749,5,0.403,0.79,1.0,0.10661537934343088,0.03285415667192105,0.4019087108491536,0.3966828867109862,0.23451528339387295
EOS-2-45462,Cn1ncc(-c2ccc(-c3nnc4nc(-c5c(F)cccc5F)ccn34)c(F)c2)cc1=O,GXAGBXHYAOIBAZ-UHFFFAOYSA-N,2,0,0.235,45,405,434.381,3.636,5,0.433,0.64,1.0,0.2815262833253375,0.23562470015763143,0.852845932424097,0.8752741415941334,0.5613177643752998
EOS-2-45463,Cc1nnc(C(CC(F)(F)F)c2cc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)o1,OTZAQLMDZSSMJW-UHFFFAOYSA-N,2,0,0.247,48,574,434.368,5.593,4,0.384,0.7,0.996,0.027122883969570282,0.010897128366801453,0.9884260845726818,0.9782828455897471,0.5011822356247001
EOS-2-45464,Clc1ccc(-c2cc(-c3ccc(-c4nnc(-c5ccc(Cl)cc5)o4)cc3)on2)cc1,LYXNEAUDEMMLPF-UHFFFAOYSA-N,2,0,0.231,83,148,434.282,7.032,5,0.304,0.9,1.0,0.12517133849633336,0.017013912685902268,0.9681224727571791,0.9746590363922967,0.5212416900829279
EOS-2-45465,Fc1ccc(-c2noc(COc3ccc(-c4nnco4)cc3Cl)c2-c2ccc(F)cc2)cc1,RATHEVMRLIDRFZ-UHFFFAOYSA-N,2,0,0.228,83,148,465.843,6.569,5,0.282,0.81,1.0,0.5345675416352547,0.2102666027002947,0.9771691453635802,0.9737937769858132,0.6739492666712357
EOS-2-45466,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc6cnc(Cl)cc6n5)n34)cc2)cc1,DJOAOTFHYIESAF-UHFFFAOYSA-N,2,1,0.5,41,492,500.349,5.682,6,0.281,0.81,1.0,0.8060448221506408,0.9232146528682065,0.8114676855595915,0.8766362826399835,0.8543408608046056
EOS-2-45467,Clc1ccc(-c2nnc3cncc(-c4ccc(Cl)cc4Oc4cccc(-n5nccn5)c4)n23)cc1,RFUPRKWQIYNHBN-UHFFFAOYSA-N,2,1,0.371,83,533,500.349,6.138,6,0.283,0.64,1.0,0.21368480570214515,0.5304040161743541,0.8717445685696662,0.9093019669659379,0.6312838393530258
EOS-2-45468,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cc6ccccc6nn5)cc4Cl)n23)c1,GSSVVMRZASNNQZ-UHFFFAOYSA-N,2,1,0.438,77,177,500.349,5.682,6,0.301,0.55,1.0,0.7460163799602495,0.8277962442601604,0.839849907477212,0.8905147008429855,0.8260443081351518
EOS-2-45469,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)c(-c5cccc(Cl)n5)c4)n23)c1,JGEXMHDRMGKUJG-UHFFFAOYSA-N,2,1,0.322,25,791,500.353,5.018,6,0.314,0.75,1.0,0.2084589815639778,0.39476389555205266,0.607566307998081,0.755671304228634,0.4916151223356863
EOS-2-45470,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4Cl)nc3)n12,RLCKIUGSVWARTC-UHFFFAOYSA-N,2,1,0.362,8,474,500.353,5.018,6,0.314,0.66,0.998,0.12253272565279967,0.34696045507504625,0.45298471660612705,0.6591134946199713,0.39539784798848604
EOS-2-45471,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6c(Cl)cccc6Cl)n5)n34)cc2)n1,BFTBQQUOQLOVOE-UHFFFAOYSA-N,2,1,0.302,3,289,500.353,5.111,6,0.332,0.65,1.0,0.028296552669453773,0.21027516962511136,0.5324343773559044,0.6679631279555891,0.35974230690151465
EOS-2-45472,Clc1ccc(Cn2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c(Cl)n1,FAXZHXRUWGHUHC-UHFFFAOYSA-N,2,1,0.304,3,787,500.353,4.862,6,0.312,0.72,0.999,0.16383387019395518,0.2976406689054897,0.4771434445891303,0.6302258241381674,0.39221095195668565
EOS-2-45473,Cc1noc(-c2cc(-c3cn(-c4c(C)cccc4Cl)nn3)cc(-c3nnc(C)o3)c2)n1,PTMAXKIEASACGY-UHFFFAOYSA-N,2,0,0.21,96,574,433.859,4.613,5,0.404,0.76,1.0,0.012696182578301693,0.00016277157151668836,0.3236327187992598,0.26851312452881915,0.15125119936947434
EOS-2-45474,Cc1nnc(-c2ccc(-c3nnc(-c4ccc(Cl)cc4Cl)o3)cc2)n1-c1ccc(F)cc1,SLKHXWAQZOABCO-UHFFFAOYSA-N,2,0,0.205,83,148,466.303,6.406,5,0.306,0.88,1.0,0.0504848879446234,0.08680008224247825,0.9074343773559044,0.932381262422041,0.49427515249126175
EOS-2-45475,Fc1cncc2nnc(-c3cnn(CCc4ccc(Cl)cc4)c3-c3cncc(Cl)c3)nc12,OEOZXHNIYNFSCE-UHFFFAOYSA-N,2,0,0.223,45,575,466.307,5.034,5,0.361,0.8,0.876,0.1389469536015352,0.05767253786580769,0.6578113220478377,0.809574395175108,0.41600130217257214
EOS-2-45476,COc1ccc(-c2ccc(-c3cc(F)ccc3-c3ccc(-c4c[nH]c(=N)cn4)c(F)c3)cc2)nc1,BLBILYCPEJOYII-UHFFFAOYSA-N,2,0,0.208,83,148,466.491,6.239,5,0.322,0.85,1.0,0.2055290932766774,0.007761633883901035,0.9858731409773148,0.9716606127064629,0.542706120211089
EOS-2-45477,COc1ccc(-c2ccc(-c3nnn(C(C)C(=O)Nc4ccc(-c5ccco5)cc4)n3)cc2)nc1,LPEKPWMOBBFIFN-UHFFFAOYSA-N,2,0,0.226,62,366,466.501,4.87,5,0.364,0.79,1.0,0.08450414639161127,3.4267699266671235e-05,0.387379206360085,0.20945274484271126,0.17034259132341856
EOS-2-45478,Clc1ccc(-c2nc(-c3cccc(Cl)c3)nnc2-c2nnc3cncc(Cl)c3n2)cc1,LWNKNTLWMSEMHH-UHFFFAOYSA-N,2,0,0.288,45,730,466.719,5.566,5,0.343,0.87,0.764,0.15569529161812076,0.06556267562195874,0.6281440614077171,0.8644798163251319,0.4284704612432321
EOS-2-45479,O=C(c1ccc(O)cc1OC(F)(F)F)N1CCCc2cc(-c3ccc(Cl)c(F)c3)cnc21,GCRZLYVDNNYDHR-UHFFFAOYSA-N,2,0,0.228,48,240,466.818,5.738,4,0.5,0.82,0.998,0.260108971283668,0.162420327599205,0.9603694057980947,0.9632735933109451,0.5865430744979783
EOS-2-45480,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)c(F)c5)n34)cn2)c1,VOYNZVNMAGKPEN-UHFFFAOYSA-N,2,1,0.511,59,679,500.387,5.004,5,0.303,0.74,1.0,0.965106915221712,0.9641645534918786,0.990507847303132,0.9782914125145638,0.9745176821328216
EOS-2-45481,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(OC(F)(F)F)nc5)ccn4)n23)c1F,RTJCPSWZSMDUAE-UHFFFAOYSA-N,2,1,0.417,59,153,500.387,5.004,5,0.303,0.76,1.0,0.8642142416558152,0.845212802412446,0.9899766979644986,0.9779144678226304,0.9193295524638476
EOS-2-45482,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)ccc2F)nn1,FTXYMVWPEOMZEP-UHFFFAOYSA-N,2,1,0.627,43,713,500.387,5.004,5,0.303,0.67,1.0,0.9857617709546981,0.9809814269069974,0.9906963196490988,0.9807329860873141,0.9845431258995271
EOS-2-45483,Fc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)nn2)c1F,ILNJCGKOMFSCLH-UHFFFAOYSA-N,2,1,0.557,1,431,500.387,5.004,5,0.303,0.72,1.0,0.9627767116715784,0.9732968953464465,0.9876893290384483,0.9763124528819135,0.9750188472345966
EOS-2-45484,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cnc(C(F)(F)F)nc1,JIHZDPICLOENKV-UHFFFAOYSA-N,2,1,0.506,13,209,500.387,5.346,5,0.301,0.64,1.0,0.9519995202522102,0.9489668288671098,0.9821893633061476,0.9426872729764924,0.9564607463504899
EOS-2-45485,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)(F)F)nc5)c(F)c4)n23)nc1,XISCDOVUOKIROW-UHFFFAOYSA-N,2,1,0.566,1,679,500.387,5.004,5,0.303,0.66,1.0,0.8826416969364677,0.9376584881091083,0.9890857377835652,0.9758669727914467,0.946313223905147
EOS-2-45486,Cn1cc(-c2cncc(C(=O)N3CCCc4cc(-c5cnc(Cl)nc5)cnc43)c2)nn1,QOIRVKUCRJVCOZ-UHFFFAOYSA-N,2,0,0.193,82,974,432.875,2.976,5,0.458,0.85,1.0,0.0009080940305667877,0.001619148790350216,0.022813720786786375,0.045918717017339454,0.017814920156260707
EOS-2-45487,COc1ccc(Cl)cc1Cn1nc(-c2ccc(Cl)o2)cc1-c1ccc(C(F)(F)F)cc1,QVMBUHKHROWWQW-UHFFFAOYSA-N,2,0,0.234,48,574,467.274,7.193,4,0.312,0.89,0.936,0.33840209718319514,0.15474436296347063,0.9994517168117333,0.9991604413679666,0.6229396545815914
EOS-2-45488,Cn1c([N+](=O)[O-])cnc1COc1cncc2nnc(-c3ccc(-c4nncn4CC(F)(F)F)cc3)n12,YFEMUQJLKMQPIV-UHFFFAOYSA-N,2,1,0.415,36,734,500.401,2.833,5,0.243,0.65,1.0,0.5187358645740525,0.3614042903159482,0.27973579603865395,0.1347405935165513,0.3236541361113015
EOS-2-45489,FC(F)(F)Oc1ccc(-c2ccc(-c3n[nH]c(-c4ccc(OC(F)(F)F)cc4)n3)nn2)cc1,VOXMKTZYIYKNFM-UHFFFAOYSA-N,2,0,0.286,48,444,467.329,5.393,4,0.396,0.85,1.0,0.3056935782331574,0.08350181618806113,0.99935748063875,0.9964618600507162,0.5962536837776712
EOS-2-45490,Fc1ccc(F)c(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)cc2)c1,VFEHXIJLACLKJF-UHFFFAOYSA-N,2,1,0.585,57,138,500.402,6.473,5,0.26,0.73,1.0,0.9840141182920978,0.9846223699540813,0.9994774175861832,0.99961448838325,0.9919320985539031
EOS-2-45491,Fc1ccc(F)c(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(C(F)(F)F)cc5)c4)n23)c1,ABYKWRFZQHYCDM-UHFFFAOYSA-N,2,1,0.549,57,671,500.402,6.473,5,0.26,0.73,1.0,0.97459906791858,0.9721574943458297,0.9995031183606332,0.9997001576314166,0.9864899595641149
EOS-2-45492,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)c2)cc1F,LVKBJICRWWWIQE-UHFFFAOYSA-N,2,1,0.588,57,853,500.402,6.473,5,0.26,0.77,1.0,0.9876379274895484,0.985247755465698,0.9995202522102666,0.9996230553080666,0.993007247618395
EOS-2-45493,CC(C)(C)c1nnc(-c2nc(-c3ccc(C(F)(F)F)cc3F)nn2-c2ccc(F)cc2F)o1,PUBKLJWEYXSUJO-UHFFFAOYSA-N,2,0,0.222,23,225,467.373,5.718,4,0.361,0.85,0.999,0.05535946816530738,0.02040641491330272,0.9656380645603454,0.9136453978479885,0.48876233637173605
EOS-2-45494,O=C(c1cnoc1-c1ccccn1)N1CCCc2cc(-c3ccc(OC(F)(F)F)nc3)cnc21,JKLDAKDIXRTAHA-UHFFFAOYSA-N,2,0,0.22,82,688,467.407,4.685,5,0.43,0.73,1.0,0.25724761839490096,0.07990370776506066,0.49104756356658213,0.48148687547118085,0.3274214412994312
EOS-2-45495,Cn1cc(-c2cc(C(F)F)nn2-c2ccc(-c3cccs3)cc2)c(-c2ccccc2)n1,KHCSSDSGGNDPNJ-UHFFFAOYSA-N,2,0,0.204,30,574,432.499,6.606,5,0.313,0.83,1.0,0.0006339524364334179,9.423617298334589e-05,0.9311818929477075,0.8905232677678021,0.4556083373312316
EOS-2-45496,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnc5ccccc5c4)c3n2)cc1,VQPYEIOUFRAPEO-UHFFFAOYSA-N,2,0,0.208,30,498,432.422,4.293,6,0.408,0.76,0.83,0.10662394626824755,0.009920498937701323,0.5047632101980672,0.6392810636693852,0.3151471797683503
EOS-2-45497,Cc1c(-c2ccc(-c3nnco3)cc2)nc(-c2ccc(F)cc2F)n1-c1ccc(F)cc1,FMRIZTOCIAWRGQ-UHFFFAOYSA-N,2,0,0.237,83,148,432.405,5.982,5,0.35,0.85,1.0,0.19721917620450963,0.07991227468987733,0.9608919882119115,0.9521194571996436,0.5475357240764855
EOS-2-45498,FC(F)(F)Oc1ccc(-c2ccc(-c3cc4cc(-c5ccncn5)ccc4o3)cc2)cc1,UWNZQMZGBRDHMB-UHFFFAOYSA-N,2,0,0.27,83,148,432.401,7.122,5,0.303,0.85,1.0,0.4199420875882393,0.1915050373517922,0.9990919059694332,0.9988091974504831,0.6523370570899869
EOS-2-45499,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4Cl)n23)cc1,YCWKZXIDGHOEHM-UHFFFAOYSA-N,2,1,0.373,69,107,500.414,7.556,6,0.251,0.79,1.0,0.2522616681516003,0.48931704475361526,0.9535672674936605,0.9766379960249468,0.6679459941059557
EOS-2-45500,COCc1ccc(-c2ccn3c(-c4ccc(-c5ccnc(F)n5)c(F)c4)nnc3n2)nn1,SXWGDLQQKMDXAU-UHFFFAOYSA-N,2,0,0.219,22,140,432.394,3.13,5,0.39,0.7,1.0,0.35019018573093,0.2152696867932287,0.4808357891851141,0.4410509903365088,0.3718366630114454
EOS-2-45501,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3cc(OCC(F)(F)F)ncc3F)n12,FNUBPEPHGMSMRS-UHFFFAOYSA-N,2,1,0.379,61,542,500.416,3.738,5,0.325,0.64,1.0,0.5420893016242889,0.6113614556918648,0.8858114591186348,0.7377064628880817,0.6942421698307175
EOS-2-45502,O=c1ccc(C(F)(F)F)cn1Cc1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)o1,JJGBUZMZJSQUKC-UHFFFAOYSA-N,2,0,0.198,83,148,432.348,5.516,4,0.399,0.85,1.0,0.3913885271742855,0.17019909533273936,0.9983294496607498,0.9978925364950997,0.6394524021657186
EOS-2-45503,Cc1nnc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)o1,MQIUFOOQUUBKGP-UHFFFAOYSA-N,2,0,0.253,96,574,432.288,5.841,4,0.436,0.95,1.0,0.08682578301692824,0.0032982660544171065,0.8134123774929751,0.7583784524707011,0.4154787197587554
EOS-2-45504,Cn1cc(-c2ccc(-c3nn(CC(F)(F)F)c4ncc(-c5ccc(Cl)cc5)cc34)cc2)cn1,OKNCIBFTZPVBAC-UHFFFAOYSA-N,2,0,0.244,83,472,467.882,6.382,5,0.308,0.89,1.0,0.13895552052635185,0.13576862449455143,0.9835515043519978,0.9758755397162634,0.5585377972722911
EOS-2-45505,N#Cc1c(-c2ccc(F)cc2)nn(-c2ccc(F)cc2)c1-c1ccc(-c2ccc(Cl)cc2)cc1,NBANIXZEYPAKOA-UHFFFAOYSA-N,2,0,0.222,83,148,467.906,7.677,5,0.272,0.86,1.0,0.03179185799465424,0.012798985676101706,0.9937547118086492,0.9984836543074498,0.5092073024467137
EOS-2-45506,Clc1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(-c3nnc(C4CCCC4)o3)cc2)cc1,DFSDLIXRKMIWQQ-UHFFFAOYSA-N,2,0,0.206,83,148,467.96,6.962,6,0.279,0.86,1.0,0.037077650606538275,0.002647179768350353,0.2613597423069015,0.5169368103625522,0.2045053457610856
EOS-2-45507,CN(c1ccccc1)c1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)cc23)n1,ZVMAVHLVXDVJFM-UHFFFAOYSA-N,2,0,0.27,79,590,467.96,6.13,5,0.287,0.61,0.983,0.23308889041189776,0.0064251936125008565,0.8114762524844082,0.6996778836268933,0.43766705503392506
EOS-2-45508,COc1ncc(-c2nnc3cncc(-c4cccc(N(CC(F)F)C(F)(F)F)c4)n23)c2ccccc12,WIPBUICBORIABT-UHFFFAOYSA-N,2,1,0.333,96,121,500.431,5.606,5,0.223,0.6,1.0,0.42229799191282297,0.5033153999040504,0.9798677266808307,0.9466451922417929,0.7130315776848742
EOS-2-45509,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(CC(F)(F)F)c5)cc4)n23)c(F)c1,WZUZKRANFBRYLK-UHFFFAOYSA-N,2,1,0.588,91,322,500.431,5.117,5,0.29,0.72,1.0,0.7575131930642177,0.8004420533205401,0.9815382770200809,0.9669316702076622,0.8766062984031253
EOS-2-45510,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(CC(F)(F)F)c5)cc4)n23)cc1F,LLGIRHOWHHEIKK-UHFFFAOYSA-N,2,1,0.7,91,781,500.431,5.117,5,0.29,0.71,1.0,0.8414090877938455,0.8578404495922144,0.9835600712768144,0.9684137482009458,0.912805839215955
EOS-2-45511,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(F)cc(F)c(F)c4F)n23)ccc1F,MOFYKYDHORVDSC-UHFFFAOYSA-N,2,1,0.511,88,607,500.431,4.992,5,0.179,0.68,1.0,0.8955606195600028,0.7924319786169557,0.9643615927626619,0.9514255362894936,0.9009449318072785
EOS-2-45512,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccnc6)nn5)n34)cn2)cn1,BVRXJBVHIKDACZ-UHFFFAOYSA-N,2,1,0.415,71,502,500.433,2.666,6,0.319,0.63,1.0,0.35697519018573093,0.43207285312864097,0.22187478582687958,0.21270817627304503,0.3059077513535741
EOS-2-45513,COCc1ncc(-c2cncc(-c3nnc4nc(-c5ccc(Cl)nn5)ccn34)c2)cn1,UHIUGCGYJUCEDL-UHFFFAOYSA-N,2,0,0.208,50,489,431.847,2.9,5,0.414,0.78,1.0,0.21369337262696184,0.10585292303474744,0.19733911315194297,0.20946131176752794,0.18158668014529505
EOS-2-45514,Fc1ccc(-c2nnc(-c3cccc(COc4cncc5nnc(-c6ccc(F)c(F)c6)n45)c3)o2)cc1,PQXJDEJEKZYPCO-UHFFFAOYSA-N,2,1,0.646,83,994,500.44,5.505,6,0.298,0.74,1.0,0.9692875745322459,0.9562572818860942,0.9226749366047563,0.917037900075389,0.9413144232746213
EOS-2-45515,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(-c6nnco6)cc5)c4)n23)c(F)c1F,HYLCGSYFYFLAKO-UHFFFAOYSA-N,2,1,0.489,12,994,500.44,5.505,6,0.279,0.69,1.0,0.8826502638612843,0.8781012267836338,0.9503204029881434,0.9384637790418752,0.9123839181687341
EOS-2-45516,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)cc5)n34)c(F)c2)cc1F,MJCBEBMUENCHLW-UHFFFAOYSA-N,2,1,0.561,83,994,500.44,5.505,6,0.298,0.66,1.0,0.7808837639640874,0.8201117126996094,0.9603779727229114,0.9559488725926941,0.8793305804948255
EOS-2-45517,FC(F)(F)c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)cn2)cc1,LTENUFICKPOSCL-UHFFFAOYSA-N,2,1,0.478,28,870,500.444,5.45,6,0.335,0.67,1.0,0.8414176547186621,0.7795044890686039,0.9624597354533616,0.9181001987526557,0.8753705194983208
EOS-2-45518,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(C(F)(F)F)n6)cc5)n34)nc2)o1,NYVKFGDQFXEVIT-UHFFFAOYSA-N,2,1,0.337,38,532,500.444,5.293,6,0.321,0.75,1.0,0.3408351038311288,0.4407511479679254,0.8676153108080323,0.7531783291069838,0.6005949729285176
EOS-2-45519,Fc1cc(F)c(F)c(C=CCOc2cncc3nnc(-c4ccnc(-c5ccc6ncnn6c5)c4)n23)c1,FFHNPDAQXBTNFR-UHFFFAOYSA-N,2,1,0.41,59,577,500.444,4.406,6,0.313,0.5,1.0,0.857309300253581,0.7452539236515661,0.8744602837365499,0.8420944417791789,0.829779487355219
EOS-2-45520,Fc1ccc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6cnn(C(F)F)c6)cc5)n34)cnn2)cc1,NJDYJPIPUOZKER-UHFFFAOYSA-N,2,1,0.478,77,722,500.444,5.438,6,0.301,0.54,1.0,0.5945017476526626,0.7582585155232677,0.9226835035295731,0.8961860050716195,0.7929074429442808
EOS-2-45521,FC(F)(F)Oc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,ZWMJHOMPTZOJJW-UHFFFAOYSA-N,2,1,0.388,93,689,500.444,5.0,6,0.329,0.79,1.0,0.24384038105681585,0.47151497498457956,0.8662189020629155,0.858028921938181,0.609900795010623
EOS-2-45522,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(-c6ccc(F)cc6)n5)ccc4F)n23)cc1,WRSXGEKNDRCLMN-UHFFFAOYSA-N,2,1,0.578,57,461,500.444,4.43,6,0.334,0.74,1.0,0.7490233705708998,0.7540264546638339,0.8316856281269276,0.8596395038037146,0.798593739291344
EOS-2-45523,COc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)cc5F)n34)cn2)nc1,DVLUEDIRILZJMJ-UHFFFAOYSA-N,2,1,0.396,45,673,500.444,4.527,6,0.343,0.73,1.0,0.11730690151463231,0.3852032074566514,0.8573435679528476,0.8458210540744294,0.5514186827496401
EOS-2-45524,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnc(C(F)(F)F)nc6)nc5)n34)c2)nn1,SLAXSYGTNRJPQO-UHFFFAOYSA-N,2,1,0.311,42,727,500.448,4.125,6,0.355,0.65,1.0,0.14164553491878557,0.24607634843396614,0.7520217942567337,0.6097166061270646,0.43736507093413746
EOS-2-45525,Cn1ncnc1-c1cccc(-c2cncc3nnc(-c4cnc(C(F)F)nc4-c4cccc(F)c4)n23)n1,BIWQUSOYPFBVGC-UHFFFAOYSA-N,2,1,0.319,76,750,500.448,4.183,6,0.347,0.64,0.034,0.16384243711877183,0.327445000342677,0.4055239531217874,0.4349684737166747,0.3329449660749777
EOS-2-45526,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ncccc6C(F)(F)F)cn5)n34)nc2)n[nH]1,HMDMSMYXSMOTKG-UHFFFAOYSA-N,2,1,0.267,70,72,500.448,4.423,6,0.377,0.61,0.192,0.21648619011719553,0.29764923583030634,0.8092488520320745,0.702470701117127,0.5064637447741758
EOS-2-45527,CC1(C)OCc2cc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)nc34)ccc21,OEGUMKWUTLYYMH-UHFFFAOYSA-N,2,0,0.29,48,40,468.435,5.33,5,0.392,0.6,0.826,0.49609348228359945,0.302583784524707,0.9934805702145157,0.9654067575902954,0.6893911486532793
EOS-2-45528,Cn1cc(-c2ccc(-c3nn(C)c4ncc(-c5ccc(OC(F)F)cc5)cc34)cc2)cn1,VAAPPRGAEFYSMR-UHFFFAOYSA-N,2,0,0.298,1,528,431.446,5.304,5,0.379,0.84,1.0,0.16115242272633815,0.1395809060379686,0.9535758344184772,0.9160184360222055,0.5425818998012473
EOS-2-45529,Fc1ccc(Oc2ccc(-c3nc(-c4ccc(OC(F)(F)F)cc4)cs3)cc2)cc1,WVOYOKANLZDZDY-UHFFFAOYSA-N,2,0,0.316,79,148,431.41,7.307,4,0.311,0.92,1.0,0.3161880611335755,0.1547529298882873,0.9994859845109999,0.9992546775409499,0.6174204132684531
EOS-2-45530,O=C(O)c1csc(-n2cc(-c3ccc(OC(F)F)cc3)c(-c3ccc(F)cc3)n2)n1,VJWKIZCFJOHHAL-UHFFFAOYSA-N,2,0,0.301,83,574,431.395,5.102,4,0.46,0.83,0.997,0.11457405249811528,0.07992084161469398,0.9130371461860051,0.8677181139058323,0.49381253855116164
EOS-2-45531,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnn(C(F)F)c6)cc5)n34)cc2)no1,NZJKRYVVBZRQBP-UHFFFAOYSA-N,2,1,0.523,40,190,500.469,4.987,6,0.302,0.66,1.0,0.5631468028236584,0.5078815708313343,0.744817010485916,0.6245802206839832,0.610106401206223
EOS-2-45532,CCn1nc(-c2ccc(F)cc2F)cc1Oc1cncc2nnc(-c3ccc(-c4nnc(C)o4)cc3)n12,PHEVHAROYJHSIG-UHFFFAOYSA-N,2,1,0.409,67,937,500.469,5.104,6,0.311,0.63,1.0,0.5420978685491056,0.6444640531834692,0.48787780138441506,0.46004386265506136,0.5336208964430128
EOS-2-45533,CCOc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cc(F)c(-c4nccn4C)cc3F)n12,MJYWXRMEADMRKF-UHFFFAOYSA-N,2,1,0.34,96,693,500.469,4.586,6,0.327,0.68,0.995,0.4592899732711946,0.4760468782125968,0.6796055787814406,0.5946302515249127,0.5523931704475362
EOS-2-45534,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ncc(F)cn6)nn5C)n34)cc2F)n[nH]1,LXSCXAROIIQTNX-UHFFFAOYSA-N,2,1,0.416,73,82,500.473,3.538,6,0.368,0.55,0.949,0.5012079363991502,0.5121307655404016,0.37619936947433347,0.3487081077376465,0.434561544787883
EOS-2-45535,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnn(C(F)F)n6)cc5)n34)cc2)nn1,LAWFGOAYIFPJGL-UHFFFAOYSA-N,2,1,0.529,67,245,500.473,3.819,6,0.325,0.66,1.0,0.5369748475087383,0.48460523610444795,0.5222825714481529,0.41577856212733877,0.48991030429716953
EOS-2-45536,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C(F)F)c5)cc4)n23)cc1,PGBPANIZVHWNQE-UHFFFAOYSA-N,2,1,0.58,67,755,500.473,3.819,6,0.325,0.65,1.0,0.5549225549996574,0.5033239668288672,0.6166472483037488,0.5338993214995545,0.552198272907957
EOS-2-45537,FC(F)n1cncc1-c1ccc(-c2nnc3cncc(OCCc4nnn(-c5ccccc5)n4)n23)cc1,VUMDVNWLKSVOEQ-UHFFFAOYSA-N,2,1,0.453,67,288,500.473,3.647,6,0.311,0.56,0.733,0.5113169076828181,0.4139109725173052,0.36096737715029814,0.3841237749297512,0.41757975807004316
EOS-2-45538,CCn1cnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)n1,PGYAOUWTLLDKCJ-UHFFFAOYSA-N,2,1,0.364,67,789,500.473,4.516,6,0.315,0.59,1.0,0.4313703652936742,0.4846138030292646,0.4633763964087451,0.38737063943526834,0.44168280104173807
EOS-2-45539,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cn(-c5cccc(F)c5F)nn4)n23)ccn1,MZVXIQKEYZLERX-UHFFFAOYSA-N,2,1,0.486,24,624,500.473,3.508,6,0.327,0.67,1.0,0.2655746693167021,0.292577616338839,0.41974504831745596,0.40942190391337124,0.3468298094715921
EOS-2-45540,CCn1cnnc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(F)c(-n5cccn5)n4)n23)c1,VCCJEVRLRHZXRP-UHFFFAOYSA-N,2,1,0.49,4,712,500.473,3.508,6,0.327,0.59,1.0,0.2545918717017339,0.2872318552532383,0.30164142279487355,0.3077753409636077,0.28781012267836337
EOS-2-45541,Cn1cc(-c2ccc(COc3cncc4nnc(-c5cnn(C)c5-c5cc(F)c(F)cn5)n34)nc2)cn1,LCVMBJGSHDUWEB-UHFFFAOYSA-N,2,1,0.489,92,549,500.473,3.24,6,0.343,0.55,1.0,0.4020457816462203,0.3709821122609828,0.4910561304913988,0.4317130422863409,0.42394926667123567
EOS-2-45542,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6c(=O)on(C)c6=O)n5C)n34)cc2)o1,FJBMNSMMEFHYCM-UHFFFAOYSA-N,2,1,0.452,40,932,500.475,2.115,6,0.336,0.55,0.996,0.3431224727571791,0.23066445068878075,0.06611952573504215,0.04329723802343911,0.17080092180111028
EOS-2-45543,CCn1ccc(-c2cc(-c3ccccc3Cl)nn2-c2ccc(-c3nnc(C)o3)cc2)n1,LTTGCDSTHCUGOH-UHFFFAOYSA-N,2,0,0.189,3,574,430.899,5.435,5,0.371,0.82,1.0,0.004446233979850593,0.0023130697005003084,0.5013450071962169,0.46935610993077925,0.24436510520183677
EOS-2-45544,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)nc23)c1,UXPROQACVXDORY-UHFFFAOYSA-N,2,0,0.3,61,402,430.859,3.51,5,0.417,0.89,1.0,0.34084367075594546,0.27159721746281956,0.37234425330683296,0.4377612912069084,0.3556366081831266
EOS-2-45545,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cncs6)n5)n34)cc2)cc1F,WEIBUYRZGQCCQM-UHFFFAOYSA-N,2,1,0.478,40,25,500.494,4.624,6,0.326,0.72,1.0,0.7490319374957165,0.7266294291001302,0.6195343019669659,0.6033085463641971,0.6746260537317524
EOS-2-45546,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6cnccc6F)n5)n34)cn2)ccn1,VAAPZBLFYWIQEB-UHFFFAOYSA-N,2,1,0.457,28,667,500.494,4.624,6,0.305,0.6,1.0,0.6059471592077308,0.7082619422931944,0.6046621204852306,0.5946388184497293,0.6283775101089712
EOS-2-45547,FC(F)Oc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c1,IMYQRTJQGUNBSR-UHFFFAOYSA-N,2,1,0.34,64,449,500.494,5.035,6,0.314,0.7,0.933,0.40636351175382085,0.5078901377561511,0.6742598176958399,0.6709015831677061,0.5648537625933795
EOS-2-45548,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5csc(-c6ncccn6)n5)n34)c2)cc1F,GAHOJOJRNBTUOU-UHFFFAOYSA-N,2,1,0.432,28,414,500.494,4.624,6,0.326,0.69,0.993,0.5472551572887396,0.5827907614282777,0.5086525940648345,0.5402731135631553,0.5447429065862518
EOS-2-45549,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnc(F)cn6)s5)n34)cc2)nc1,LNIBJDMFVFMTMD-UHFFFAOYSA-N,2,1,0.484,40,2,500.494,4.624,6,0.326,0.62,1.0,0.8163851004043589,0.7452624905763827,0.5358954149818381,0.5469124802960729,0.6611138715646632
EOS-2-45550,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(-c6ccsc6)n5)n34)cn2)nc1,NYFCJGALFZGOGO-UHFFFAOYSA-N,2,1,0.413,80,297,500.494,4.624,6,0.326,0.66,1.0,0.72503598108423,0.7360016448495648,0.5013535741210335,0.5137670481803852,0.6190395620588034
EOS-2-45551,Fc1cc(Cl)ccc1-c1cc2c(OCc3noc(-c4ccc(Cl)nc4)n3)cncc2nn1,UEVNXLSLRKQITL-UHFFFAOYSA-N,2,0,0.2,45,46,469.263,5.162,5,0.326,0.8,1.0,0.44762182167089304,0.21028373654992805,0.8528544993489137,0.8779641559865671,0.5971810533890755
EOS-2-45552,COc1nc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nc4)n23)ccc1-c1noc(C)n1,KSULMJWEJRKJSR-UHFFFAOYSA-N,2,1,0.418,6,843,500.504,3.046,6,0.317,0.56,0.827,0.3109451031457748,0.15077787677335344,0.043776985813172506,0.02271091768898636,0.13205272085532177
EOS-2-45553,Cc1cc(-c2ncc(-c3nnc4cncc5n3c(cccc(-c3cncnc3)n4)CO5)s2)on1,HXACSYKFOOJAJM-UHFFFAOYSA-N,2,0,0.205,65,986,469.49,3.598,6,0.442,0.47,0.592,0.2164947570420122,0.022625248440819683,0.0352871633198547,0.014846480707285312,0.07231341237749297
EOS-2-45554,Fc1ccc(-c2nnc3cncc(Oc4ncc(-c5ccc(CN6CCOCC6)cc5)cc4F)n23)cc1,MNRLIKRRBPJIOK-UHFFFAOYSA-N,2,1,0.436,57,417,500.509,4.756,6,0.333,0.76,1.0,0.6338410664108012,0.3947724624768693,0.4122575560276883,0.5729387978891097,0.5034524707011171
EOS-2-45555,CCc1ccc(-c2nnc3cncc(-c4csc(-c5cnc(C)cn5)n4)n23)cc1,JYFUOZIYQDXXSH-UHFFFAOYSA-N,2,1,0.372,74,423,399.483,4.243,5,0.449,0.74,1.0,0.12517990542115,0.23067301761359743,0.21465286820642862,0.18137893221849086,0.18797118086491674
EOS-2-45556,Cc1ncsc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,YIZCAWKWPKAFNU-UHFFFAOYSA-N,2,1,0.595,12,347,399.479,4.802,5,0.425,0.81,1.0,0.6764272496744569,0.5492769515454733,0.4633849633335618,0.4814954423959975,0.5426461517373724
EOS-2-45557,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cc1,IDKPOLAYYMBSQF-UHFFFAOYSA-N,2,1,0.573,1,230,399.479,4.802,5,0.425,0.86,1.0,0.8507898704680967,0.6113700226166815,0.7085960523610445,0.6450209032965527,0.7039442121855939
EOS-2-45558,c1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)nc1,XALJIJFFUJQTKO-UHFFFAOYSA-N,2,1,0.571,11,201,399.479,4.536,5,0.419,0.82,1.0,0.6853368514837914,0.5396048934274553,0.5392879172092385,0.5303783153999041,0.5736519943800974
EOS-2-45559,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cncc(F)c5)ns4)n23)cc1,MIWPNDADKSLEFS-UHFFFAOYSA-N,2,1,0.438,56,415,500.523,3.701,6,0.323,0.61,1.0,0.4711465972174628,0.4540727160578439,0.09791138372969639,0.12194160784044959,0.2862680762113632
EOS-2-45560,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncc(F)s6)cn5)n34)nc2)n(C)n1,ZZCJOAUDDMUDNX-UHFFFAOYSA-N,2,1,0.432,6,843,500.523,3.527,6,0.338,0.67,1.0,0.39139709409910217,0.3709906791857995,0.09791995065451306,0.08070043177301076,0.23525203892810637
EOS-2-45561,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nnnn6C)cc5F)n34)cc2)cs1,VDBGEAFOCVIAAS-UHFFFAOYSA-N,2,1,0.479,56,415,500.523,3.527,6,0.338,0.65,1.0,0.46644335549311217,0.4715235419093962,0.19048557329860874,0.18664759098074155,0.32877501542046467
EOS-2-45562,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5c(C)ncnc5-c5ccc(F)cc5)n34)n(C)n2)s1,GFCUZHNSNBIAFH-UHFFFAOYSA-N,2,1,0.378,71,622,500.523,4.049,6,0.345,0.6,1.0,0.38919539442121853,0.49883489822493315,0.07465218285244328,0.08772531012267837,0.2626019464053183
EOS-2-45563,N#Cc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cn(Cc5cccnc5)nn4)n23)nc1,JMEIYQICNJWSBG-UHFFFAOYSA-N,2,1,0.431,6,529,500.526,3.381,6,0.308,0.65,1.0,0.2815348502501542,0.1507864436981701,0.2836080460557878,0.32008601192515934,0.25900383798231785
EOS-2-45564,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6cncn6C)nn6cccc56)n34)cc2)nn1,AHUNWWQLXXTEAX-UHFFFAOYSA-N,2,1,0.36,81,622,500.526,4.397,7,0.342,0.64,0.197,0.3408522376807621,0.25110513330135015,0.36831779864299913,0.320094578849976,0.32009243711877183
EOS-2-45565,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cc4)n23)c1,VRVJDXLODHVOCB-UHFFFAOYSA-N,2,1,0.506,77,755,500.526,3.876,7,0.338,0.7,1.0,0.6059557261325474,0.32745356726749364,0.3163679665547255,0.3262713316427935,0.39401214789939
EOS-2-45566,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cccs6)cc5)n34)cc2)cn1,BNOQUCBYDLLWTM-UHFFFAOYSA-N,2,1,0.529,77,190,500.534,6.357,6,0.255,0.67,1.0,0.639906449181002,0.6252570077445,0.9244225892673565,0.8836697279144679,0.7683139435268316
EOS-2-45567,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc6ncccc6c5)n34)cc2)cc1,IOQIGRRJTCNRGK-UHFFFAOYSA-N,2,1,0.357,21,810,399.457,5.674,6,0.384,0.89,1.0,0.25460043862655063,0.3025923514495237,0.8586628743746145,0.8973939414707697,0.5783124014803647
EOS-2-45568,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc6ccccc6c5)n34)cn2)cc1,PHXPRWDRKIHFAE-UHFFFAOYSA-N,2,1,0.411,93,220,399.457,5.674,6,0.384,0.86,1.0,0.18603933931875813,0.19614831060242616,0.8316941950517442,0.885160372832568,0.5247605544513742
EOS-2-45569,Cc1nnc(-c2ccc(-c3ccc(Cl)cc3)cc2)n1-c1ccc(OC(F)(F)F)cc1,NOMOUQACKQKDJQ-UHFFFAOYSA-N,2,0,0.299,83,148,429.829,6.462,4,0.373,0.89,1.0,0.1530224110753204,0.24608491535878282,0.9974813241038997,0.9973699540812829,0.5984896511548214
EOS-2-45570,CC(C)N1CCC(n2nc(F)cc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)C(F)C1,BSILPSFOALRMCP-UHFFFAOYSA-N,2,1,0.257,52,523,500.557,4.849,6,0.343,0.54,0.737,0.0720392707833596,0.12549688163936673,0.30531663354122407,0.4442635871427592,0.2367790932766774
EOS-2-45571,c1ccc(Oc2ccc(-c3nnc4cncc(OCCc5cccc(Oc6ccccc6)c5)n34)cc2)cc1,SABWPZOULNEJIE-UHFFFAOYSA-N,2,1,0.732,17,403,500.558,6.997,6,0.213,0.78,1.0,0.9520080871770269,0.8696542389143993,0.8586714412994312,0.8201117126996094,0.8751113700226167
EOS-2-45572,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Oc6ccccc6)cc5)n34)cc2)nn1,NHDUTQWVSGMKSA-UHFFFAOYSA-N,2,1,0.607,17,593,500.562,5.971,6,0.254,0.8,1.0,0.7751267904872867,0.639546638338702,0.7061287780138441,0.6302343910629841,0.6877591494757042
EOS-2-45573,Cc1cncc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(C)(O)c6ccccc6)nc5)n34)cc2)c1,KVOLYEQKZUJGNP-UHFFFAOYSA-N,2,1,0.438,17,960,500.562,5.605,6,0.318,0.63,1.0,0.5575269001439244,0.3368943184154616,0.9150418065931053,0.8280361181550271,0.6593747858268796
EOS-2-45574,CCOc1cc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)ccc1-c1cnccn1,PVRRJQJVZLEYOY-UHFFFAOYSA-N,2,1,0.484,12,285,500.562,5.893,6,0.257,0.67,1.0,0.597303132067713,0.3567438832156809,0.7495802206839832,0.6709101500925228,0.5936343465149749
EOS-2-45575,COc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)nn5)n34)c2)cc1,BKSVTQQDJLTWFM-UHFFFAOYSA-N,2,1,0.54,12,47,500.562,5.545,6,0.271,0.75,1.0,0.6254197793160168,0.42745528065245697,0.6433760537317524,0.5975515728873964,0.5734506716469057
EOS-2-45576,CCOc1nc(-c2nnc3cncc(OCCc4cncn4C(C)C)n23)ccc1-c1ccc(OC)nc1,XTKNZFQZODIVQL-UHFFFAOYSA-N,2,1,0.359,49,456,500.563,4.055,5,0.28,0.62,0.052,0.252270235076417,0.04644986635597286,0.22901103419916385,0.06430333767390857,0.14800861832636558
EOS-2-45577,Cn1ncc(-c2ccnc(-c3nnc4cncc(OCc5sncc5-c5ccsc5)n34)c2)cc1=O,QPVIBHZDHMYEJY-UHFFFAOYSA-N,2,1,0.354,80,160,500.569,3.711,6,0.34,0.55,1.0,0.21650332396682886,0.11844630251524912,0.19734768007675965,0.18957747926804194,0.1804686964567199
EOS-2-45578,N#CC1(NC(=O)C(CC2CCOC2)n2nnc(-c3ccc(-c4cccnc4)cc3)n2)CC1,FQZXSRBWFRMRSD-UHFFFAOYSA-N,2,0,0.223,5,829,429.484,2.542,5,0.613,0.71,1.0,0.01040024672743472,1.7133849633335617e-05,0.010571585223768077,0.08236241518744432,0.025837845247070113
EOS-2-45579,Cn1cc(-c2ccc(N=c3cc4[nH]c(=O)c(-c5ccc(F)cc5)cc4c[nH]3)c(F)c2)cn1,IKVBAWLNLBHAKN-UHFFFAOYSA-N,2,0,0.223,83,148,429.43,4.434,5,0.445,0.41,0.977,0.1310653827702008,0.057681104790624355,0.966965937906929,0.9501576314166267,0.5264675142210953
EOS-2-45580,Fc1ccc(-c2cc3c(OCc4nccc(-c5cncnc5)n4)cncc3nn2)cc1F,XZHGPPQBKBOLJE-UHFFFAOYSA-N,2,0,0.197,59,756,429.39,3.796,5,0.416,0.63,1.0,0.3569837571105476,0.0929597011856624,0.8382907271605784,0.7756836406003701,0.5159794565142896
EOS-2-45581,CCn1cc(-c2cnc(-c3nnc4cncc(OCc5ccncc5)n34)cn2)cn1,BVZRPWNLZWNUPY-UHFFFAOYSA-N,2,1,0.402,92,828,399.418,2.439,5,0.428,0.79,1.0,0.1773696114042903,0.09296826811047906,0.13682235624700156,0.10150949215269686,0.12716743197861696
EOS-2-45582,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1,DQNQTKXTFZPPKV-UHFFFAOYSA-N,2,1,0.518,20,475,399.418,1.998,5,0.426,0.65,1.0,0.45695976972106095,0.2716057843876362,0.1277671167157837,0.10789185114111438,0.2410561304913988
EOS-2-45583,Cc1cccc(-c2nnc3cncc(OCc4ccc(-c5cn(C)nn5)cn4)n23)n1,LVAGTZKJRBSJJG-UHFFFAOYSA-N,2,1,0.435,92,122,399.418,2.264,5,0.443,0.67,1.0,0.15843670755945446,0.11232951819614831,0.11678431910081558,0.07710232335001029,0.11616321705160716
EOS-2-45584,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1,XORDKXFUZHCNKR-UHFFFAOYSA-N,2,1,0.634,15,447,399.418,1.998,5,0.426,0.78,1.0,0.582679391405661,0.36623603591254883,0.11947433349324926,0.11734973613871565,0.2964348742375437
EOS-2-45585,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)n1,IANYJMSFTXOFGW-UHFFFAOYSA-N,2,1,0.478,65,658,399.418,1.998,5,0.426,0.65,1.0,0.4430385168939757,0.29258618326365565,0.09792851757932973,0.07322150640805976,0.22669368103625523
EOS-2-45586,Cc1nc(-c2cncn2C)cc(-c2nnc3cncc(OCc4ccccn4)n23)n1,ZRJSHOZNXNBSFN-UHFFFAOYSA-N,2,1,0.5,31,330,399.418,2.264,5,0.443,0.67,1.0,0.22768316085258036,0.06914365019532588,0.08609759440751148,0.05673017613597423,0.109913645397848
EOS-2-45587,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)nc1,LGVMNJYFCOISLJ-UHFFFAOYSA-N,2,1,0.477,31,773,399.418,1.998,5,0.426,0.62,1.0,0.3777414159413337,0.15853951065725447,0.12777568364060038,0.11017065314234803,0.19355681584538414
EOS-2-45588,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1,RULKLAYJQRGHHO-UHFFFAOYSA-N,2,1,0.519,15,475,399.418,1.998,5,0.426,0.67,1.0,0.5012165033239668,0.3180213830443424,0.08610616133232815,0.0752090329655267,0.24513827016654102
EOS-2-45589,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)nc1,XQQJNUUQJVCZML-UHFFFAOYSA-N,2,1,0.584,19,54,399.418,1.998,5,0.426,0.84,1.0,0.5012250702487835,0.22032417243506272,0.06402919607977521,0.07902988143376054,0.2161520800493455
EOS-2-45590,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1,IBXWQIOKYGVECD-UHFFFAOYSA-N,2,1,0.616,15,447,399.418,1.998,5,0.426,0.77,1.0,0.5945103145774793,0.3901548900006854,0.10288876704818038,0.10575011993694744,0.2983260228908231
EOS-2-45591,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5c[nH]nn5)n34)c2)cn1,SWVUPTAEHQAHSJ-UHFFFAOYSA-N,2,1,0.467,15,438,399.418,2.296,5,0.462,0.66,1.0,0.45929854019601124,0.3662446028373655,0.12254129257761634,0.10790041806593105,0.263996213419231
EOS-2-45592,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cnccn1,JSQPPIHPJGNMKR-UHFFFAOYSA-N,2,1,0.47,65,569,399.418,1.998,5,0.426,0.64,1.0,0.3384106641080118,0.07992940853951065,0.08367315468439449,0.07711089027482695,0.14478102940168597
EOS-2-45593,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)cc2)n1,VQSCXQVRKVIWMR-UHFFFAOYSA-N,2,1,0.573,15,320,399.418,1.998,5,0.426,0.63,1.0,0.6764358165992735,0.40904495922143785,0.14281920361866904,0.11017922006716468,0.3346197998766363
EOS-2-45594,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)cn1,KNZYZEDVHBPUKL-UHFFFAOYSA-N,2,1,0.494,65,349,399.418,1.998,5,0.426,0.75,1.0,0.4569683366458776,0.29259475018847236,0.18058220821054075,0.13474916044136798,0.2662236138715647
EOS-2-45595,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccnn4)n23)cc1,VVPSVYBQKHVNMN-UHFFFAOYSA-N,2,1,0.5,36,734,399.418,2.439,5,0.428,0.7,1.0,0.38235898841751764,0.26117983688575147,0.09793708450414639,0.08573778356521143,0.20680342334315674
EOS-2-45596,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cn(C)nn5)cc4)n23)nn1,QDPMEUONIKRLIW-UHFFFAOYSA-N,2,1,0.494,36,534,399.418,2.264,5,0.443,0.73,1.0,0.2980947159207731,0.2306815845384141,0.13683092317181825,0.09540984168322938,0.1902542663285587
EOS-2-45597,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccn1,IHNKOXYRANOSTI-UHFFFAOYSA-N,2,1,0.595,75,359,399.418,1.998,5,0.426,0.74,0.989,0.3957319580563361,0.18291241176067438,0.060028442190391336,0.05003940785415667,0.17217805496538963
EOS-2-45598,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1,IUCBVZORWMTJKP-UHFFFAOYSA-N,2,1,0.539,15,320,399.418,1.998,5,0.426,0.79,1.0,0.5797238023439106,0.30260091837434033,0.06212733877047495,0.0512559111781235,0.24892699266671237
EOS-2-45599,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)nc4)n23)n1,NJABDSYZQCUBSU-UHFFFAOYSA-N,2,1,0.436,92,860,399.418,2.264,5,0.443,0.71,1.0,0.29259475018847236,0.22033273935987938,0.1582139675142211,0.08950723048454527,0.19016217188677953
EOS-2-45600,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1,LHHNXMBWTLMKPY-UHFFFAOYSA-N,2,1,0.72,15,447,399.418,1.998,5,0.426,0.76,1.0,0.5797323692687273,0.445171681173326,0.07246761702419299,0.07323007333287643,0.2926504351997806
EOS-2-45601,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nn1C,ILMYAMOBVLUTMH-UHFFFAOYSA-N,2,1,0.414,53,587,399.418,2.264,5,0.443,0.72,0.999,0.177378178329107,0.11524227263381537,0.07889281063669386,0.0567387430607909,0.10706300116510177
EOS-2-45602,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5c[nH]cn5)n34)ccn2)n1,WULKQOFCNXXLCW-UHFFFAOYSA-N,2,1,0.46,75,530,399.418,2.296,5,0.462,0.62,1.0,0.48368000822424784,0.24103899664176548,0.11356315536974848,0.0857463504900281,0.23100712768144746
EOS-2-45603,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncnn5C)n34)cc2)cn1,XAZABVUORVGKPD-UHFFFAOYSA-N,2,1,0.458,36,19,399.418,2.264,5,0.443,0.77,1.0,0.41305428003563843,0.28724042217805495,0.10829449660749778,0.07711945719964361,0.2214271640052087
EOS-2-45604,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)nc4)n23)nn1,UPYWZZQCDOZJRM-UHFFFAOYSA-N,2,1,0.443,92,860,399.418,2.264,5,0.443,0.76,1.0,0.2679734082653691,0.20549482557741072,0.15212288396957027,0.09340518127612912,0.17974907477211982
EOS-2-45605,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cn1,YCIJPEIMYLXMIC-UHFFFAOYSA-N,2,1,0.44,53,44,399.418,1.998,5,0.426,0.75,1.0,0.4108354465081214,0.1748166678089233,0.10289733397299705,0.09341374820094579,0.19549079912274692
EOS-2-45606,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cn2)cn1,JCWZNQFVGHLLMD-UHFFFAOYSA-N,2,1,0.458,65,468,399.418,1.998,5,0.426,0.76,1.0,0.4292800356384072,0.2872489891028716,0.09084367075594545,0.0676787060516757,0.21876285038722498
EOS-2-45607,Cc1ncc(-c2nnc3cncc(OCc4cccc(-c5cnn(C)c5)n4)n23)cn1,XPYOJFLXOBJKKB-UHFFFAOYSA-N,2,1,0.455,92,986,399.418,2.264,5,0.443,0.63,1.0,0.2438489479816325,0.13577719141936812,0.15213145089438695,0.08773387704749504,0.15487286683572066
EOS-2-45608,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cn2)cn1,KFLLBSNKYSOSRU-UHFFFAOYSA-N,2,1,0.435,92,860,399.418,2.439,5,0.428,0.76,1.0,0.18332362415187445,0.19151360427660888,0.12254985950243301,0.08575491741484477,0.14578550133644028
EOS-2-45609,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cn2)n1,CPDXTADKMBSXNA-UHFFFAOYSA-N,2,1,0.462,53,779,399.418,1.998,5,0.426,0.64,1.0,0.4359451031457748,0.31802994996915906,0.08850490028099513,0.0712168460009595,0.2284241998492221
EOS-2-45610,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2)cn1,DSKSBWSZJGMUAO-UHFFFAOYSA-N,2,1,0.481,53,44,399.418,1.998,5,0.426,0.74,1.0,0.43350352957302446,0.1395894729627853,0.12778425056541703,0.1057586868617641,0.20165898499074775
EOS-2-45611,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)cn1,YITFTQKVEGPDCH-UHFFFAOYSA-N,2,1,0.443,92,399,399.418,2.264,5,0.443,0.74,1.0,0.31095367007059144,0.22564423274621342,0.17436262079363993,0.11018778699198135,0.20528707765060655
EOS-2-45612,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)[nH]1,XIANEMFUDNBQHX-UHFFFAOYSA-N,2,1,0.551,87,579,399.418,2.296,5,0.462,0.65,0.907,0.5472637242135563,0.39976697964498664,0.07466074977725995,0.06273559043245837,0.2711067610170653
EOS-2-45613,Cn1nc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1-c1cccnc1,DZNZKMXQNCKSRD-UHFFFAOYSA-N,2,1,0.441,95,235,399.418,1.998,5,0.426,0.71,1.0,0.26558323624151875,0.10586148995956411,0.06612809265985882,0.06768727297649235,0.1263150229593585
EOS-2-45614,Cn1ncnc1-c1cncc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,NXZKFNICUFNBSC-UHFFFAOYSA-N,2,1,0.558,65,349,399.418,1.998,5,0.426,0.76,1.0,0.39787368926050304,0.13959803988760194,0.13068843807826744,0.10790898499074772,0.19401728805428006
EOS-2-45615,Cc1cncc(COc2cncc3nnc(-c4ccnc(-c5ncnn5C)c4)n23)c1,GXBJOZAMCXXUEY-UHFFFAOYSA-N,2,1,0.494,7,45,399.418,2.264,5,0.443,0.68,1.0,0.2757778767733534,0.0962836680145295,0.12779281749023372,0.0914947570420122,0.1478372798300322
EOS-2-45616,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cn[nH]c5)n34)nn2)cn1,OQEMHTHPBLGMSG-UHFFFAOYSA-N,2,1,0.418,53,411,399.418,2.296,5,0.462,0.62,0.979,0.5797409361935439,0.3806884380782674,0.1489531217874032,0.12195017476526626,0.3078331677061202
EOS-2-45617,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccn(C)n5)n34)ccn2)cn1,YMWNMIJLHZTREA-UHFFFAOYSA-N,2,1,0.471,7,99,399.418,2.264,5,0.443,0.68,1.0,0.20012336371736,0.1288636830923172,0.12780138441505037,0.07521759989034336,0.13300150777876774
EOS-2-45618,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)cn1,JRDGPMDWDMTNSP-UHFFFAOYSA-N,2,1,0.47,18,359,399.418,1.998,5,0.426,0.72,1.0,0.40851380988280445,0.13960660681241863,0.0930111027345624,0.06945205948872593,0.17764589472962783
EOS-2-45619,C=CCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(-c4nc[nH]n4)cc3)n12,RSVLEUPPKKSJJX-UHFFFAOYSA-N,2,1,0.419,15,320,399.418,2.542,5,0.437,0.63,1.0,0.37541121239120007,0.22034130628469606,0.11679288602563224,0.08576348433966144,0.19957722226029742
EOS-2-45620,CCn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccccc4)n23)n1,MTTFNNOQWVCFIM-UHFFFAOYSA-N,2,1,0.449,36,250,399.418,2.439,5,0.428,0.61,1.0,0.41534164896168874,0.23563326708244808,0.030241244602837364,0.03293125899527106,0.17853685491056132
EOS-2-45621,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccncc5)n34)n2)n1C,DPMCNQLSLICFCX-UHFFFAOYSA-N,2,1,0.524,36,185,399.418,2.264,5,0.443,0.72,1.0,0.15844527448427112,0.1184548694400658,0.04082996367623878,0.03293982592008773,0.08766748338016585
EOS-2-45622,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)n[nH]2)nn1,WLVDJEWAYKXCLK-UHFFFAOYSA-N,2,1,0.433,53,785,399.418,2.296,5,0.462,0.6,0.329,0.4335120964978411,0.15476149681310397,0.11948290041806593,0.10151805907751353,0.20231863820163115
EOS-2-45623,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccn(C)n5)n34)cn2)nn1,AKCUNVFSBOJBKW-UHFFFAOYSA-N,2,1,0.429,53,617,399.418,2.264,5,0.443,0.69,1.0,0.2572561853197176,0.20098862312384347,0.11357172229456514,0.0694606264135426,0.1603192892879172
EOS-2-45624,OCc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)nn4)n23)cc1,WXFKVUWRTMMMRF-UHFFFAOYSA-N,2,1,0.523,72,534,399.414,2.443,5,0.468,0.81,1.0,0.45253066959084365,0.35675245014049756,0.4197536152422726,0.3583715989308478,0.3968520834761154
EOS-2-45625,Cc1coc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n1,RBLKXLLPFKMVCT-UHFFFAOYSA-N,2,1,0.506,87,76,399.414,3.166,5,0.429,0.7,1.0,0.5369834144335549,0.25602254814611747,0.24692447399081627,0.18401754506202453,0.3059869954081283
EOS-2-45626,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)no1,OIUDPLAKNFRLBJ-UHFFFAOYSA-N,2,1,0.63,15,921,399.414,3.166,5,0.429,0.79,1.0,0.4986378589541498,0.33690288534027824,0.22188335275169624,0.1785689808786238,0.30899826948118697
EOS-2-45627,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)on1,IKPGUDIROUAJKW-UHFFFAOYSA-N,2,1,0.55,15,361,399.414,3.166,5,0.429,0.73,1.0,0.5525409499006236,0.36625316976218214,0.3053252004660407,0.25022274004523337,0.36858551504352
EOS-2-45628,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4cccnc4)n23)cn1,MQTPQCMFMADSBW-UHFFFAOYSA-N,2,1,0.556,55,879,399.414,3.432,5,0.443,0.77,1.0,0.35699232403536424,0.23069015146323077,0.21158590912206154,0.14907305873483653,0.23708536083887327
EOS-2-45629,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccoc5)n34)cn2)cn1,MBKVYDSQZUHUMJ-UHFFFAOYSA-N,2,1,0.523,65,981,399.414,3.166,5,0.429,0.72,1.0,0.5394164210814886,0.40905352614625456,0.257556027688301,0.19234459598382564,0.3495926427249675
EOS-2-45630,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2)o1,KXYRXODFQRTQJW-UHFFFAOYSA-N,2,1,0.613,72,889,399.414,3.166,5,0.429,0.78,1.0,0.697184908505243,0.5078987046809678,0.2327547803440477,0.1840261119868412,0.4054661263792749
EOS-2-45631,c1ccc(CCCOc2cncc3nnc(-c4ccc(-c5nnco5)cn4)n23)cc1,ODDXKZMDAOTROY-UHFFFAOYSA-N,2,1,0.553,19,54,399.414,3.248,5,0.384,0.75,1.0,0.5187444314988692,0.302609485299157,0.16775752175998904,0.1813874991433075,0.29262473442533066
EOS-2-45632,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cnc(C)o5)nc4)n23)n1,WCAVAQRSWZOHFU-UHFFFAOYSA-N,2,1,0.488,4,464,399.414,3.432,5,0.443,0.8,1.0,0.3869251593448016,0.3228188609416764,0.2505654170379001,0.14908162565965322,0.27734776574600783
EOS-2-45633,OCCn1cc(-c2cncc3nnc(-c4ccc(-c5ccc(O)cc5)cn4)n23)cn1,LDIWSECEWNKDEF-UHFFFAOYSA-N,2,1,0.265,82,478,399.414,2.415,5,0.466,0.59,1.0,0.06262422040984168,0.029855732986087315,0.34983894181344666,0.35206634226578026,0.19859630936878897
EOS-2-45634,Cc1n[nH]c(COc2cncc3nnc(-c4ccc(-c5ccc(O)cc5)cc4)n23)n1,HKXZAITUOKUTRD-UHFFFAOYSA-N,2,1,0.453,1,22,399.414,3.169,5,0.466,0.55,1.0,0.5447621821670893,0.4760554451374135,0.3457439517510794,0.32307586868617644,0.42240936193543965
EOS-2-45635,COc1cncc(Oc2cncc3nnc(-c4cc(-c5ccccc5)n(C)n4)n23)c1,VGJFLLSXRURMBW-UHFFFAOYSA-N,2,1,0.407,95,54,399.414,3.388,5,0.447,0.72,1.0,0.2438575149064492,0.09629223493934617,0.3311202110890275,0.26249914330751833,0.23344227606058532
EOS-2-45636,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(CO)cc4)n23)cn1,VRFGJHMOSNKVTD-UHFFFAOYSA-N,2,1,0.449,89,374,399.414,2.871,5,0.485,0.7,1.0,0.694246453293126,0.41391953944212184,0.4456599958878761,0.3454783770817627,0.4748260914262217
EOS-2-45637,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)s4)n23)cn1,FJFVPXMKTZILOP-UHFFFAOYSA-N,2,1,0.385,76,140,399.414,3.988,5,0.455,0.75,0.984,0.2843019669659379,0.4672143787266123,0.687667055033925,0.7161949146734288,0.538844578849976
EOS-2-45638,Cc1ncoc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)cn3)n12,KRWSEZNYQSTWFW-UHFFFAOYSA-N,2,1,0.488,18,529,399.414,3.166,5,0.429,0.71,0.999,0.43595367007059144,0.2819546295661709,0.1677660886848057,0.14909019258446987,0.2586911452265095
EOS-2-45639,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnco5)cc4)n23)cc1,MNYZUGLCVOSGMV-UHFFFAOYSA-N,2,1,0.662,1,230,399.41,3.518,5,0.466,0.85,1.0,0.7693698170104859,0.4045044890686039,0.7882084846823384,0.6912822973065589,0.6633412720169967
EOS-2-45640,Cc1cc(CO)ccc1-c1ccc(-c2nnc3cncc(Oc4ccoc4)n23)cn1,WSWLICHWIUTMBJ-UHFFFAOYSA-N,2,1,0.396,13,374,399.41,4.039,5,0.476,0.76,1.0,0.5945188815022959,0.4139281063669385,0.7268864368446303,0.6187889795079159,0.5885306010554452
EOS-2-45641,FC(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,YKNJPFIOWRMJOH-UHFFFAOYSA-N,2,1,0.377,30,3,399.404,5.458,5,0.403,0.85,1.0,0.3081951202796244,0.4320814200534576,0.9609005551367281,0.9584161469398944,0.6648983106024262
EOS-2-45642,CCC1(c2ccc(Cl)cc2)OCC(=O)Nc2ccc(-c3cncc(C(F)F)c3)cc21,CKOZELPRGSJWKF-UHFFFAOYSA-N,2,0,0.25,48,999,428.866,5.962,4,0.557,0.47,0.011,0.2137019395517785,0.057689671715441024,0.9981324103899664,0.9968302378178329,0.5665885648687548
EOS-2-45643,Cn1ccnc1-c1ccc(F)c(-c2nnc3nc(C#Cc4ccc(Cl)cc4)ccn23)c1,OHMRFIZPFPNRRT-UHFFFAOYSA-N,2,0,0.271,14,358,428.858,4.384,5,0.391,0.78,1.0,0.22769172777739702,0.3076982386402577,0.8796004386265506,0.8892467959701186,0.576059300253581
EOS-2-45644,Fc1cnc(-c2c[nH]c3cc(-c4ccc(Cl)cc4)ccc23)[nH]c1=NC1CC(F)(F)C1,QKYCFMXJVYPTHA-UHFFFAOYSA-N,2,0,0.203,48,17,428.845,5.716,5,0.431,0.42,0.193,0.14165410184360222,0.10587005688438078,0.9873466520457816,0.9939174833801658,0.5571970735384826
EOS-2-45645,Fc1ccccc1-c1nnc2cncc(OCc3cccc(-c4cccnn4)n3)n12,NHUUKBUNIIUJRQ-UHFFFAOYSA-N,2,1,0.512,81,268,399.389,3.361,5,0.447,0.74,1.0,0.5601740799122746,0.6640994448632719,0.49426872729764926,0.509980467411418,0.5571306798711535
EOS-2-45646,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5cccnc5)n34)c2)cn1,VOEXEAZRKFKUJA-UHFFFAOYSA-N,2,1,0.471,2,419,399.389,3.361,5,0.419,0.75,1.0,0.7065999588787609,0.64945000342677,0.7061373449386609,0.6622746898773216,0.6811154992803783
EOS-2-45647,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5cccnc5)n34)c2)nn1,DBKFRTCRQOKRCI-UHFFFAOYSA-N,2,1,0.488,72,613,399.389,3.361,5,0.447,0.74,1.0,0.7066085258035776,0.6252655746693166,0.6224813241038997,0.597560139812213,0.6379788910972517
EOS-2-45648,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)nc1,IJPJVIXZFWLMGH-UHFFFAOYSA-N,2,1,0.537,46,119,399.389,3.361,5,0.447,0.78,1.0,0.5631553697484751,0.567593036803509,0.5853008703995614,0.5759286546501268,0.5729944829004181
EOS-2-45649,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)cc1,HAJHIERUNORGFB-UHFFFAOYSA-N,2,1,0.603,4,817,399.389,3.361,5,0.447,0.75,1.0,0.7892707833596052,0.820120279624426,0.7036443698170105,0.6768384620656569,0.7474684737166747
EOS-2-45650,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2)ccn1,LGEJZAKBEIMYRV-UHFFFAOYSA-N,2,1,0.519,97,744,399.389,3.361,5,0.419,0.74,1.0,0.7808923308889041,0.7406963196490988,0.6632941539305051,0.6302429579878007,0.7037814406140771
EOS-2-45651,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3cnccn3)n12,ALXOHWNCVSFSPX-UHFFFAOYSA-N,2,1,0.549,97,815,399.389,3.361,5,0.447,0.79,1.0,0.7250445480090467,0.7360102117743814,0.5821825097662943,0.569709067233226,0.6532365841957372
EOS-2-45652,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c1,DUFIAKYLPLCSTN-UHFFFAOYSA-N,2,1,0.482,55,879,399.389,3.361,5,0.447,0.81,1.0,0.8293896922760606,0.7312555685011308,0.6465029812898362,0.6187975464327325,0.7064864471249401
EOS-2-45653,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2)nc1,XSZHJGMVOBPQJR-UHFFFAOYSA-N,2,1,0.506,40,815,399.389,3.361,5,0.447,0.75,1.0,0.8163936673291755,0.717454252621479,0.6075748749228976,0.5824309505859776,0.6809634363648824
EOS-2-45654,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2)n1,ZXXACCDVUQLUNZ-UHFFFAOYSA-N,2,1,0.5,40,22,399.389,3.361,5,0.419,0.6,1.0,0.7782108834212871,0.6836320334452745,0.585309437324378,0.5569100815571243,0.651015608937016
EOS-2-45655,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cc2)nc1,RFSJDXCMYPRWJU-UHFFFAOYSA-N,2,1,0.53,72,22,399.389,3.361,5,0.447,0.79,1.0,0.7809008978137207,0.6984699472277431,0.5884449318072784,0.5792783222534439,0.6617735247755465
EOS-2-45656,Fc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1ccccn1,ZYPVBIGOIIMPTP-UHFFFAOYSA-N,2,1,0.573,72,799,399.389,3.361,5,0.447,0.76,1.0,0.7548060448221506,0.6934068946610924,0.5761171269960935,0.5759372215749434,0.65006682201357
EOS-2-45657,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cc1,GDFPHGFPLQONMQ-UHFFFAOYSA-N,2,1,0.623,4,539,399.389,3.361,5,0.447,0.82,1.0,0.8244123089575766,0.8517236652731136,0.5528236584195737,0.540281680487972,0.692310328284559
EOS-2-45658,Fc1cc(-c2nnc3cncc(OCc4ccncn4)n23)ccc1-c1cccnc1,FQWVWAALINEOES-UHFFFAOYSA-N,2,1,0.588,97,71,399.389,3.361,5,0.447,0.75,1.0,0.7187992598176959,0.6886693852374751,0.6876756219587417,0.6622832568021383,0.6893568809540127
EOS-2-45659,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cccnc5)n34)nc2)c1,SCKNLPTXQIXXSP-UHFFFAOYSA-N,2,1,0.438,2,119,399.389,3.361,5,0.447,0.82,1.0,0.7398910287163319,0.5774621341923103,0.6433846206565691,0.6273901720238503,0.6470319888972654
EOS-2-45660,Fc1cncc(-c2cncc(-c3nnc4cncc(OCc5ccccn5)n34)c2)c1,FJPYDCBVKJUBIB-UHFFFAOYSA-N,2,1,0.671,2,419,399.389,3.361,5,0.447,0.75,1.0,0.5113254746076349,0.5721249400315263,0.6309283119731341,0.6188061133575492,0.5832962099924611
EOS-2-45661,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cc1,RVNWDTOPFVRNSD-UHFFFAOYSA-N,2,1,0.549,54,691,399.389,3.361,5,0.447,0.86,1.0,0.7460249468850662,0.6113785895414982,0.5917517647865123,0.6158333904461655,0.6412471729148105
EOS-2-45662,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccncc5)n4)n23)cc1,UIAKGBMDEKGFHW-UHFFFAOYSA-N,2,1,0.584,97,335,399.389,3.361,5,0.447,0.81,1.0,0.8088376396408745,0.8640257693098485,0.532442944280721,0.5368720444109383,0.6855445994105956
EOS-2-45663,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cc1,PEEHGPXHQPFNQR-UHFFFAOYSA-N,2,1,0.662,43,909,399.389,3.361,5,0.447,0.79,1.0,0.9406483448701254,0.8417774655609622,0.7371496127749982,0.7240507847303133,0.8109065519840998
EOS-2-45664,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)n4)n23)cc1,FLGMQBYBDGDSMU-UHFFFAOYSA-N,2,1,0.554,24,401,399.389,3.361,5,0.447,0.78,1.0,0.7398995956411486,0.7924405455417723,0.504771777122884,0.5233448701254197,0.6401141971078061
EOS-2-45665,OCc1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)nc5)nc4)n23)cc1,BUNXLLUWTBSZGV-UHFFFAOYSA-N,2,1,0.377,82,478,399.389,2.942,5,0.464,0.83,1.0,0.37774998286615036,0.45408128298266054,0.6876841888835583,0.6591220615447879,0.5446593790692893
EOS-2-45666,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)nn4)n23)cc1,KZJYMUMRROCAEP-UHFFFAOYSA-N,2,1,0.588,81,268,399.389,3.361,5,0.447,0.79,1.0,0.7836508806798711,0.8278048111849771,0.4910646974162155,0.5169453772873689,0.6548664416421082
EOS-2-45667,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)c1,GMIUWBRNZOWGTN-UHFFFAOYSA-N,2,1,0.518,54,691,399.389,3.361,5,0.447,0.84,1.0,0.7188078267425125,0.6113871564663148,0.5761256939209102,0.6033171132890138,0.6274094476046879
EOS-2-45668,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1,FBKXBHFCVLTUJA-UHFFFAOYSA-N,2,1,0.566,81,268,399.389,3.361,5,0.447,0.77,0.999,0.7368326365567816,0.8047340826536906,0.5392964841340553,0.5469210472208896,0.6569460626413542
EOS-2-45669,Fc1cc(-c2nnc3cncc(OCc4ccccn4)n23)cnc1-c1ccccn1,TWPJJIKYSNFKIY-UHFFFAOYSA-N,2,1,0.671,24,786,399.389,3.361,5,0.447,0.7,1.0,0.6338496333356178,0.6592334315674045,0.4492152696867932,0.44757898704680965,0.5474693304091562
EOS-2-45670,Fc1cccnc1-c1ccc(COc2cncc3nnc(-c4ccccn4)n23)cn1,ZBHYWSVCYCEPMZ-UHFFFAOYSA-N,2,1,0.524,24,348,399.389,3.361,5,0.447,0.84,1.0,0.6971934754300596,0.5442824343773559,0.4771520115139469,0.46629771777122886,0.5462314097731478
EOS-2-45671,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)nc2)ccn1,SVCJKTOFKWUUMB-UHFFFAOYSA-N,2,1,0.548,97,119,399.389,3.361,5,0.419,0.78,1.0,0.5294530875197039,0.5721335069563429,0.5789956137344938,0.5533805085326571,0.5584906791857994
EOS-2-45672,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccccn5)n34)c2)cn1,GUAJINCMTJOBSK-UHFFFAOYSA-N,2,1,0.548,97,157,399.389,3.361,5,0.419,0.78,1.0,0.47638098828044684,0.48462236995408126,0.5821910766911109,0.5533890754574737,0.5241458775957781
EOS-2-45673,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5ccccn5)n34)c2)c1,MCSIPRRFQPZBTI-UHFFFAOYSA-N,2,1,0.585,46,160,399.389,3.361,5,0.447,0.74,1.0,0.4935919402371325,0.4629823178671784,0.5761342608457268,0.5697176341580427,0.5256065382770201
EOS-2-45674,Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccccc5F)n34)c2)nc1,LEIMJZOHIJGISH-UHFFFAOYSA-N,2,1,0.442,2,995,399.389,3.883,5,0.453,0.78,1.0,0.6338582002604345,0.6547015283393873,0.5494311561921733,0.5265317661572202,0.5911306627373039
EOS-2-45675,Fc1cc(COc2cncc3nnc(-c4ccccc4-c4cncnc4)n23)ccn1,JQGRGEZBUMPLIF-UHFFFAOYSA-N,2,1,0.465,97,91,399.389,3.361,5,0.419,0.71,1.0,0.7809094647385375,0.6836406003700911,0.6958827359331095,0.6649818381193887,0.7063536597902816
EOS-2-45676,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc1,CENZASCQPAQBNI-UHFFFAOYSA-N,2,1,0.548,4,436,399.389,3.361,5,0.447,0.7,1.0,0.7751353574121034,0.8084178603248577,0.6281526283325337,0.613057706805565,0.706190888218765
EOS-2-45677,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccccc5)n34)ccn2)nc1,BTSZVZJPQHEIAK-UHFFFAOYSA-N,2,1,0.543,97,700,399.389,3.361,5,0.447,0.78,1.0,0.9019172777739702,0.6984785141525598,0.46694023713247895,0.460052429579878,0.6318471146597218
EOS-2-45678,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccncn5)n34)c2)cc1,ITMKFBZAGQRLPU-UHFFFAOYSA-N,2,1,0.455,97,560,399.389,3.361,5,0.447,0.78,1.0,0.5447707490919059,0.5676016037283257,0.6253255431430333,0.6302515249126174,0.5919873552189706
EOS-2-45679,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccccc5)n34)n2)cn1,QCSILFCGLNUMIV-UHFFFAOYSA-N,2,1,0.494,97,700,399.389,3.361,5,0.419,0.84,1.0,0.7638098828044685,0.6984870810773764,0.4633935302583784,0.4631622232883284,0.5972131793571379
EOS-2-45680,COc1cc(F)ncc1-c1nnc2cncc(-c3cccc(-c4cncnc4)c3)n12,XVZUMWMJUKMJSO-UHFFFAOYSA-N,2,1,0.376,82,478,399.389,3.458,5,0.428,0.63,0.998,0.39574052498115275,0.38069700500308407,0.6958913028579261,0.6450294702213694,0.5293395757658831
EOS-2-45681,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)cc1,GOBGHNPZDPEYCB-UHFFFAOYSA-N,2,1,0.5,97,801,399.389,3.361,5,0.447,0.82,1.0,0.6455092180111027,0.7219604550750462,0.6046706874100473,0.6033256802138305,0.6438665101775066
EOS-2-45682,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)c1,QEGTUFDRULXBAY-UHFFFAOYSA-N,2,1,0.512,19,691,399.389,3.361,5,0.447,0.81,0.974,0.49610204920841616,0.5260091837434034,0.4669488040572956,0.5169539442121855,0.5015034953053252
EOS-2-45683,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)ccn1,JBKQHJMOIVERGO-UHFFFAOYSA-N,2,1,0.455,24,181,399.389,3.361,5,0.419,0.7,1.0,0.6485933109451032,0.5033325337536838,0.594801590021246,0.5632581728462751,0.577496401891577
EOS-2-45684,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,QSCHLGLRVRXTPA-UHFFFAOYSA-N,2,1,0.537,46,119,399.389,3.361,5,0.447,0.76,1.0,0.5037523130697005,0.5630011651017751,0.5917603317113289,0.5883763964087451,0.5617225515728874
EOS-2-45685,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)nc2)c1,FTXBDEKXOMMYMF-UHFFFAOYSA-N,2,1,0.593,46,119,399.389,3.361,5,0.447,0.79,1.0,0.5447793160167227,0.5534918785552738,0.5729045301898431,0.5632667397710918,0.5586106161332329
EOS-2-45686,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)n1,DDLRGRUSWIXVCQ-UHFFFAOYSA-N,2,1,0.455,97,122,399.389,3.361,5,0.419,0.85,1.0,0.5113340415324515,0.5260177506682201,0.5761428277705435,0.5533976423822905,0.5417230655883764
EOS-2-45687,Cc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ncn4)n23)cn1,ABKHRXRLMFKHRB-UHFFFAOYSA-N,2,1,0.411,44,130,399.389,3.883,5,0.453,0.81,1.0,0.6368566239462683,0.6113957233911316,0.6224898910287163,0.5916318278390789,0.6155935165512987
EOS-2-45688,Fc1cc(-c2nnc3cncc(OCc4cnncn4)n23)ccc1-c1ccccc1,IUPSWLSNKUPSSO-UHFFFAOYSA-N,2,1,0.512,1,700,399.389,3.361,5,0.447,0.73,1.0,0.8113134809128915,0.7312641354259475,0.6465115482146528,0.6709187170173394,0.7150019703927077
EOS-2-45689,Fc1ncccc1-c1cncc(COc2cncc3nnc(-c4ccccc4)n23)n1,PVFHOJVKFOFZLR-UHFFFAOYSA-N,2,1,0.524,97,700,399.389,3.361,5,0.419,0.74,1.0,0.5915718593653622,0.6208279076142827,0.4878863683092317,0.48748372284284835,0.5469424645329313
EOS-2-45690,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,KLSIBKONARAKGB-UHFFFAOYSA-N,2,1,0.608,24,786,399.389,3.361,5,0.447,0.76,1.0,0.5857463504900281,0.6787574532245905,0.5324515112055377,0.5169625111370023,0.5784794565142897
EOS-2-45691,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cn2)cc1,MGBDMVSLSYQEPD-UHFFFAOYSA-N,2,1,0.506,4,801,399.389,3.361,5,0.447,0.8,1.0,0.6426821328216024,0.7033530943732438,0.5853180042491947,0.6004643273250634,0.632954389692276
EOS-2-45692,COc1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)cn4)n23)cn1,ZFYFNWDNBZOOFF-UHFFFAOYSA-N,2,1,0.321,82,680,399.389,3.458,5,0.457,0.83,1.0,0.49360050716194914,0.5630097320265918,0.6372250017133849,0.5759457884997601,0.5674452573504215
EOS-2-45693,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nn1,LLKRNEYLSWDWON-UHFFFAOYSA-N,2,1,0.477,1,418,399.389,3.361,5,0.447,0.77,1.0,0.6031200740182304,0.6350404358851347,0.4842711260365979,0.4967274347200329,0.554789767664999
EOS-2-45694,COc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)cn4)n23)cn1,VKUYGMWCCMGYHN-UHFFFAOYSA-N,2,1,0.346,82,680,399.389,3.458,5,0.428,0.82,1.0,0.4836885751490645,0.5585292303474745,0.6433931875813858,0.5598913713933247,0.5613755911178124
EOS-2-45695,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccn4)n23)cc1,AJJVVPCMVAJDTL-UHFFFAOYSA-N,2,1,0.58,4,817,399.389,3.361,5,0.447,0.76,1.0,0.7722911383729696,0.8047426495785073,0.7036529367418272,0.6856452607771915,0.7415829963676238
EOS-2-45696,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2)nn1,OPSQOSDGZSFLPS-UHFFFAOYSA-N,2,1,0.662,72,22,399.389,3.361,5,0.447,0.73,1.0,0.6516345692550202,0.6592419984922212,0.5625214173120416,0.5303868823247208,0.6009462168460009
EOS-2-45697,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cc1,QBIRCOIFBGLMJJ-UHFFFAOYSA-N,2,1,0.645,97,770,399.389,3.361,5,0.447,0.83,1.0,0.9513398670413269,0.8805428003563841,0.5562332944966075,0.5402902474127887,0.7321015523267769
EOS-2-45698,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)n1,NUGLNQPWJAPVIN-UHFFFAOYSA-N,2,1,0.53,97,31,399.389,3.361,5,0.419,0.72,1.0,0.7250531149338634,0.6690254266328559,0.6658470975258721,0.630260091837434,0.6725464327325064
EOS-2-45699,Fc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1cncnc1,WVOMAIRXDBVORK-UHFFFAOYSA-N,2,1,0.707,4,817,399.389,3.361,5,0.447,0.69,1.0,0.679391405661024,0.6984956480021931,0.6848742375436914,0.6535107257898705,0.6790680042491948
EOS-2-45700,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccccn5)n34)c2)nc1,ULVYMOHCSJUWIJ-UHFFFAOYSA-N,2,1,0.617,2,422,399.389,3.361,5,0.447,0.73,1.0,0.5660167226372421,0.577470701117127,0.5821996436159276,0.5598999383181413,0.5713967514221094
EOS-2-45701,Fc1ccc(COc2cncc3nnc(-c4ncccc4-c4cncnc4)n23)cc1,ZURIUIHMTIHKER-UHFFFAOYSA-N,2,1,0.523,97,817,399.389,3.361,5,0.447,0.77,1.0,0.6913079980810088,0.6017065314234802,0.62533411006785,0.6392896305942019,0.6394095675416352
EOS-2-45702,Fc1cccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)c1,JRFFWXILSCQMMU-UHFFFAOYSA-N,2,1,0.547,72,389,399.389,3.361,5,0.447,0.76,1.0,0.6764443835240902,0.6592505654170379,0.6046792543348639,0.594647385374546,0.6337553971626344
EOS-2-45703,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnc5)n4)n23)cc1,MNSNWPBFEXRFDW-UHFFFAOYSA-N,2,1,0.556,97,401,399.389,3.361,5,0.447,0.8,1.0,0.77514392433692,0.8201288465492427,0.5790041806593106,0.5883849633335618,0.6906654787197588
EOS-2-45704,COc1cc(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc(C)nn6C)s5)n34)s2)cn1,XFSYDBMWSYZVJJ-UHFFFAOYSA-N,2,1,0.25,76,272,500.613,5.064,6,0.326,0.57,0.992,0.07598862312384347,0.04262045096292235,0.09085223768076212,0.05818655335480776,0.06691196628058392
EOS-2-45705,Oc1ccc(-c2nnc3cncc(-c4cccc(Oc5ccccc5)n4)n23)cc1F,MQEFLXXKDSIHTD-UHFFFAOYSA-N,2,1,0.374,79,480,399.385,4.49,5,0.479,0.77,1.0,0.5269001439243369,0.5971574943458297,0.7992341169213899,0.7783308203687205,0.6754056438900693
EOS-2-45706,N=c1ncc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)c[nH]1,DXOSPGJYHBQWDW-UHFFFAOYSA-N,2,1,0.367,51,435,399.378,0.82,5,0.436,0.72,1.0,0.26798197519018574,0.12887225001713384,0.09301966965937906,0.0552737989171407,0.13628692344595986
EOS-2-45707,Cc1cc(CCOc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1F,ROADJCFWKORYFX-UHFFFAOYSA-N,2,1,0.722,90,281,399.376,4.193,4,0.486,0.79,0.999,0.940656911794942,0.9641731204166952,0.9418220135700089,0.8946953601535192,0.9353368514837914
EOS-2-45708,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc([N+](=O)[O-])cc4)n23)nc1,XCANWDXXIGDDME-UHFFFAOYSA-N,2,1,0.459,98,216,399.374,2.557,5,0.333,0.79,1.0,0.16385100404358852,0.015531834692618738,0.14001781920361867,0.05380028784867384,0.09330023644712494
EOS-2-45709,N=c1cnc(-c2ccc(-c3ccc(F)cc3COCc3ccccc3C(F)(F)F)cc2F)c[nH]1,JWPLSSOYWBRTCG-UHFFFAOYSA-N,2,0,0.216,83,148,471.429,6.237,4,0.327,0.81,0.999,0.26011753820848466,0.04262901788773902,0.9997087245562333,0.9996316222328833,0.5755217257213351
EOS-2-45710,N#Cc1cc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)ccc1F,OBLIDURAKROVOH-UHFFFAOYSA-N,2,1,0.375,45,46,399.364,3.794,5,0.461,0.78,0.987,0.05892330888904119,0.3319940374203276,0.9391062984031252,0.9487355218970598,0.5696897916523884
EOS-2-45711,Fc1ccc(-c2ccc(-c3[nH]c(-c4ccc(F)cc4)nc3-c3ccc(F)cc3)nn2)cc1,HIPLOXPRFYRLDX-UHFFFAOYSA-N,2,0,0.221,83,148,428.417,6.285,5,0.366,0.88,0.99,0.11458261942293195,0.017022479610718937,0.9819237886368309,0.9866527311356316,0.5250454047015284
EOS-2-45712,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)c3n2)c(F)c1,LCTNZMSAZGSQSC-UHFFFAOYSA-N,2,0,0.264,96,436,428.402,4.401,5,0.41,0.83,0.817,0.39998115276540336,0.14312761291206907,0.7968096771982729,0.7807038585429374,0.5301555753546707
EOS-2-45713,Fc1ccc(-c2cccnc2Oc2ccc(-c3cnc(-c4cccnc4)o3)c(F)c2)cn1,FQBVFKKSEOYUBQ-UHFFFAOYSA-N,2,0,0.21,41,30,428.398,5.931,5,0.323,0.87,1.0,0.3957490919059694,0.0835103831128778,0.9593071071208279,0.9170464670002056,0.5889032622849701
EOS-2-45714,Fc1ccncc1-c1ccc(-c2ccc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1,DULOPNAMACUVMP-UHFFFAOYSA-N,2,0,0.291,83,148,428.36,6.654,4,0.341,0.95,1.0,0.377758549790967,0.14680282365841957,0.9997772599547666,0.99982009457885,0.6310396819957509
EOS-2-45715,N#Cc1cccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4F)n23)c1,ZISIHWXWKSMJSW-UHFFFAOYSA-N,2,1,0.449,72,374,399.345,3.644,5,0.45,0.7,1.0,0.8596395038037146,0.7881485162086218,0.8092574189568912,0.7827599204989377,0.8099513398670413
EOS-2-45716,Fc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4Br)n23)cc1Cl,ZVMYYQWKHFCWMD-UHFFFAOYSA-N,2,1,0.605,90,255,500.662,4.922,4,0.374,0.65,1.0,0.9378726612295251,0.9709152902474127,0.9806558837639641,0.9793280104173806,0.9671929614145707
EOS-2-45717,CC(c1ccc(Oc2ccccc2)cc1)c1ncc2nnc(-c3ccc(Cl)cc3)n2n1,CSWKQADTSCRHQX-UHFFFAOYSA-N,2,0,0.309,79,590,427.895,5.784,5,0.355,0.82,0.992,0.2787163319854705,0.292603317113289,0.8170790213145089,0.8341015009252278,0.5556250428346241
EOS-2-45718,Cc1nc(-c2ccc(-n3nc(C#Cc4ccc(Cl)cc4)nc3-c3ccc(Cl)cc3)cc2)no1,DFZHMRKBTQIELW-UHFFFAOYSA-N,2,0,0.264,83,148,472.335,5.999,5,0.301,0.82,1.0,0.1471883352751696,0.04645843328078953,0.867623877732849,0.8766448495648003,0.4844788739634021
EOS-2-45719,Cn1cncc1C(O)(c1cnc(-c2ccc(F)cc2)cn1)c1ccc(-c2ccc(F)cc2)cc1F,HGXSHHLWRYRIAJ-UHFFFAOYSA-N,2,0,0.204,83,148,472.47,5.246,5,0.38,0.67,0.999,0.1471969021999863,0.10927969296141457,0.9964104585018162,0.9942858611472826,0.5617932287026249
EOS-2-45720,Cn1cnnc1-c1ccc(OCc2ccccc2-c2nnc(-c3ccc(F)cc3)o2)cc1,HGMQVUJRWAGGCS-UHFFFAOYSA-N,2,0,0.292,83,574,427.439,4.917,5,0.383,0.88,1.0,0.4153502158865054,0.2611884038105682,0.7968182441230895,0.7050322116373107,0.5445972688643684
EOS-2-45721,Fc1ccc(-c2nc(-c3ccc(-c4cccc(F)c4)nc3)[nH]c2-c2ccc(F)cc2)cc1,XXPBJKYHYMMLRS-UHFFFAOYSA-N,2,0,0.208,83,148,427.429,6.89,5,0.339,0.89,1.0,0.10663251319306422,0.004857446371050647,0.9912788705366322,0.9950140497566994,0.5244457199643616
EOS-2-45722,Fc1cc(Cl)ccc1-c1cc(-c2nnc3cncc(OCc4cccc(Br)c4)n23)no1,GAJOBHIKDUQWHY-UHFFFAOYSA-N,2,1,0.53,57,146,500.715,5.58,5,0.313,0.68,1.0,0.7490405044205332,0.6787660201494071,0.9084195737098211,0.9341546158590912,0.8175951785347131
EOS-2-45724,Cc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,UYALMVVLIIZPGA-UHFFFAOYSA-N,2,1,0.791,48,231,399.281,5.028,4,0.473,0.82,1.0,0.9955194983208827,0.9979525049688164,0.9159584675484888,0.942695839901309,0.9630315776848742
EOS-2-45725,N#Cc1nc(C(F)(F)F)c(F)cc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1,KYGSHAQXYVXCEX-UHFFFAOYSA-N,2,0,0.275,66,444,427.279,5.739,3,0.501,0.92,1.0,0.40402474127887056,0.11233808512096498,0.9999657323007334,0.9998886299773834,0.6290542971694881
EOS-2-45726,FC(F)(F)c1nnc(-c2ccc(-c3nnc(-c4ccc(Cl)cc4Cl)o3)cc2)o1,UZVDFJLLTNSZTN-UHFFFAOYSA-N,2,0,0.218,83,574,427.169,5.779,4,0.413,0.9,1.0,0.23037317524501405,0.05769823864025769,0.9871324789253649,0.9725430059625797,0.561936724693304
EOS-2-45727,On1ccc2cncc3n(c(-c4ccc(-c5nnc6ccccn56)cc4)nn2)c(c1Cl)CCO3,ZNTCKSITDKVGAT-UHFFFAOYSA-N,2,0,0.282,61,734,472.896,3.997,6,0.436,0.5,1.0,0.45253923651566036,0.32746213419231035,0.1805907751353574,0.21822527585497908,0.2947043554245768
EOS-2-45728,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)c(Cl)cn4)n23)ccc1Cl,QUKYFMVSOVJFQC-UHFFFAOYSA-N,2,1,0.649,57,13,500.748,6.532,5,0.274,0.76,0.995,0.9551350147351106,0.95004626139401,0.9819323555616476,0.9932492632444657,0.9700907237338086
EOS-2-45729,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cc(-c4ccc(Cl)c(Cl)c4)ccn3)n12,JEZXPAFNLXHFAU-UHFFFAOYSA-N,2,1,0.471,57,560,500.748,6.532,5,0.274,0.8,1.0,0.8507984373929134,0.857849016517031,0.9803903090946474,0.9920927283942156,0.9202826228497019
EOS-2-45730,Fc1ccc(-c2ccc(Cl)c(Cl)c2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,RFKDXUYUIKORCN-UHFFFAOYSA-N,2,1,0.595,57,461,500.748,6.532,5,0.274,0.83,1.0,0.9565913919539442,0.9816068124186142,0.9710866287437462,0.9870982112260983,0.9740957610856007
EOS-2-45731,COCCCOc1cncc2nnc(-c3ccc(-c4ccc(F)c(Cl)c4)nn3)nc12,XCAWGKBNOCZZJD-UHFFFAOYSA-N,2,0,0.248,90,861,426.839,3.752,4,0.412,0.8,0.574,0.292603317113289,0.09297683503529573,0.46695737098211226,0.5265403330820368,0.3447694640531835
EOS-2-45732,FC(F)(F)Oc1ccc(-c2ncc(-c3cccc(-c4ccc(Cl)cc4)c3)cn2)cc1,FRPLDQHABVWBLA-UHFFFAOYSA-N,2,0,0.352,83,148,426.825,7.03,4,0.351,0.94,1.0,0.35700089096018095,0.170207662257556,0.9995716537591666,0.9998029607292166,0.63164579192653
EOS-2-45733,Cc1c(Cl)n2c(-c3cc(-c4ccc(F)nn4)n(-c4ccc(F)cc4)n3)nnc2n1C,WBWSXBRYZFYRGB-UHFFFAOYSA-N,2,0,0.212,22,990,426.818,3.618,5,0.44,0.49,0.25,0.000402645466383387,0.02986429991090398,0.2797443629634706,0.47255157288739635,0.19564072030703858
EOS-2-45734,FC(F)Oc1ccc2c(c1)C(C(F)(F)F)c1cc(-c3ccc(Cl)cc3)ccc1O2,BOXUXMZNAOJRFU-UHFFFAOYSA-N,2,0,0.259,48,444,426.768,7.408,4,0.406,0.8,1.0,0.39998971969022,0.2872575560276883,1.0,1.0,0.6718118189294771
EOS-2-45735,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)cc1Cl,OYDOVZWGTNRAJT-UHFFFAOYSA-N,2,1,0.595,37,626,500.777,5.169,5,0.299,0.69,1.0,0.8484425330683298,0.7960557878144061,0.8477828798574464,0.882324720718251,0.8436514803646084
EOS-2-45736,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1-c1ccc(Cl)nc1,JSIROYJHZLMMHR-UHFFFAOYSA-N,2,1,0.6,95,381,500.777,5.169,5,0.299,0.8,1.0,0.6085515043519978,0.6065811116441642,0.8051281611952573,0.8710078130354328,0.722817147556713
EOS-2-45737,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)cc1-c1cncc(Cl)c1,MNNIIGXHOLBBJU-UHFFFAOYSA-N,2,1,0.505,95,998,500.777,5.169,5,0.32,0.67,1.0,0.4961106161332328,0.46299088479199507,0.7819974641902543,0.872447056404633,0.6533865053800288
EOS-2-45738,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cccc(Cl)c1Cl,GBULRTCWZAAFLP-UHFFFAOYSA-N,2,1,0.484,95,998,500.777,5.169,5,0.32,0.7,0.999,0.4711551641422795,0.46722294565142897,0.7634072373380851,0.862877801384415,0.6411657871290521
EOS-2-45739,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccc(Cl)c(Cl)c1,WFUPAEHQLDYGIQ-UHFFFAOYSA-N,2,1,0.5,95,998,500.777,5.169,5,0.32,0.73,0.999,0.5369919813583716,0.5260263175930368,0.7820060311150709,0.8694657665684326,0.6786225241587279
EOS-2-45740,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccc(Cl)c(Cl)c1,PICFYPGBANALDY-UHFFFAOYSA-N,2,1,0.473,95,266,500.777,5.169,5,0.32,0.66,0.996,0.5317661572202043,0.5442910013021726,0.737158179699815,0.8402182852443287,0.6633584058666302
EOS-2-45741,Clc1ccc(-c2nnc3cncc(OCc4ncnn4CCc4ccc(Cl)c(Cl)c4)n23)cc1,BLTXWWLOOGAQDT-UHFFFAOYSA-N,2,1,0.622,34,612,500.777,5.165,5,0.307,0.79,1.0,0.7188163936673292,0.8163593996299089,0.6339867041326845,0.8180899184428757,0.7468131039681996
EOS-2-45742,N#Cc1cccc(-c2cc(-c3ccsc3)nn2Cc2ccc(-c3csnn3)cc2)n1,HVPCLGGBUPGYAC-UHFFFAOYSA-N,2,0,0.19,62,574,426.53,5.112,5,0.39,0.84,1.0,0.021511548214652867,5.140154890000685e-05,0.6521400178192036,0.5916403947638955,0.316335840586663
EOS-2-45743,OC(NCc1cccnc1)c1cc2nnc(-c3ccccn3)c(-c3ccc(F)cc3)n2c1,WKSUHUYRIVTYKR-UHFFFAOYSA-N,2,0,0.233,96,574,426.455,3.773,5,0.402,0.5,0.7,0.13896408745116853,0.14313617983688576,0.8951751079432527,0.8529830032211637,0.5075645946131176
EOS-2-45744,O=C(Nc1ccccc1-c1ccc(-c2nnc3ccccn23)cc1)c1ccc(F)c(F)c1,KWLWEICSRRSVML-UHFFFAOYSA-N,2,0,0.343,83,650,426.426,5.594,5,0.407,0.87,1.0,0.047289424988006305,0.03286272359673772,0.9485042149270098,0.9307963813309574,0.4898631862106778
EOS-2-45745,COc1cnc(COC(F)F)c2nnc(-c3ccc(-c4cnn(C)c(=O)c4)cc3)nc12,KNKZTABQGLBCMJ-UHFFFAOYSA-N,2,0,0.217,66,947,426.383,2.595,4,0.463,0.73,0.879,0.21371050647659517,0.0929854019601124,0.5121136316907683,0.40596086628743744,0.3061926016037283
EOS-2-45746,Fc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cn4)n23)nc1-c1ccc(Cl)nc1,TYIVOESGBKMMIH-UHFFFAOYSA-N,2,1,0.424,46,128,500.828,4.011,5,0.306,0.68,1.0,0.8709050099376328,0.9300424919470907,0.7798214652868206,0.7685816599273525,0.8373376567747242
EOS-2-45747,Fc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1ccc(Cl)nn1,GZEYVYIMXCKHHM-UHFFFAOYSA-N,2,1,0.595,27,996,500.828,4.011,5,0.327,0.68,1.0,0.9534473305462271,0.9701442670139127,0.7448255774107326,0.7556798711534508,0.8560242615310808
EOS-2-45748,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)nn1C(F)F,FZQMTULCYWYWTQ-UHFFFAOYSA-N,2,1,0.43,73,196,500.828,3.572,5,0.348,0.63,1.0,0.7339541498183811,0.7312727023507641,0.6876927558083751,0.696850798437393,0.7124426016037284
EOS-2-45749,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(C(F)(F)F)nc5)c4)n23)c(Cl)c1,BKFSSHFIFJKXQJ-UHFFFAOYSA-N,2,1,0.547,59,679,500.843,5.639,5,0.291,0.71,1.0,0.9454800904667261,0.9687992598176959,0.9839027482694812,0.9704783770817628,0.9671651189089164
EOS-2-45750,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cn4)n23)c(F)c1F,GLYUDUTVMYEXNR-UHFFFAOYSA-N,2,1,0.446,88,384,500.843,5.08,5,0.14,0.64,1.0,0.9036477965869372,0.9362363785895415,0.9685422520731958,0.9689620313892126,0.9443471146597218
EOS-2-45751,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cnc(C(F)(F)F)nc1,ZSCOCOHKGUEMJZ-UHFFFAOYSA-N,2,1,0.671,34,679,500.843,5.639,5,0.291,0.77,1.0,0.9932835309437325,0.9893598793776985,0.9868326365567816,0.9749674456856967,0.9861108731409773
EOS-2-45752,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)cn2)ccc1Cl,SUQHAMFQKQNWAL-UHFFFAOYSA-N,2,1,0.573,59,679,500.843,5.639,5,0.291,0.8,1.0,0.9633506956342951,0.9715406757590296,0.9915701459803988,0.9824292372010143,0.9772226886436844
EOS-2-45753,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(C(F)(F)F)n5)n34)cn2)cc1Cl,QNBBROAZNVDUOJ-UHFFFAOYSA-N,2,1,0.505,59,679,500.843,5.639,5,0.291,0.85,1.0,0.9211928586114728,0.9616116098965115,0.9882718799259818,0.9766465629497636,0.9619307278459324
EOS-2-45754,FC(F)(F)Oc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1,FPJDISCJAJBBKW-UHFFFAOYSA-N,2,0,0.304,83,148,425.837,7.635,4,0.335,0.95,1.0,0.3136865190871085,0.12180453704338291,0.9997258584058666,0.99987149612775,0.608772102666027
EOS-2-45755,O=Cc1cc(F)ccc1OCc1onc(-c2ccc(F)cc2)c1-c1ccc(Cl)cc1,MSHGMZNTNLUYKP-UHFFFAOYSA-N,2,0,0.236,83,148,425.818,6.332,4,0.339,0.89,1.0,0.3545935850866973,0.07993797546432732,0.9889229662120486,0.9892827770543485,0.6031843259543554
EOS-2-45756,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2C)c(OC(F)F)n1,WGBXLJBKSFTIKX-UHFFFAOYSA-N,2,1,0.37,51,924,500.857,2.914,5,0.328,0.62,0.886,0.4452059488725927,0.41850284421903916,0.2685987937769858,0.24166438215338223,0.34349299225549995
EOS-2-45757,Cn1c(-c2cncc(-c3nc4c(Cl)cncc4c(=O)n3-c3cccc(Cl)c3)c2)cnc1C#N,PAQJDEIKPQBNGP-UHFFFAOYSA-N,2,0,0.207,2,995,474.311,4.422,5,0.384,0.64,0.944,0.16116098965115483,0.11846343636488246,0.7111832636556782,0.8009560688095402,0.4479409396203139
EOS-2-45758,Cn1c(-c2ccc(-c3ccccc3F)nc2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1,VYTPJQSDKAXLTI-UHFFFAOYSA-N,2,0,0.233,83,148,474.366,7.929,5,0.265,0.85,1.0,0.16116955657597148,0.15477006373792063,0.9835686382016311,0.9921012953190322,0.5729023884586388
EOS-2-45759,Cn1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2cccc(OC(F)(F)F)c2)n1,FPXABTYUQFNDIS-UHFFFAOYSA-N,2,1,0.558,43,431,500.868,5.323,5,0.314,0.85,1.0,0.8060533890754574,0.9176375848125556,0.972637242135563,0.9539442121855939,0.9125681070522925
EOS-2-45760,FC(F)(F)Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,LIEGGFLASCHKFG-UHFFFAOYSA-N,2,1,0.522,15,669,500.872,4.282,5,0.308,0.62,1.0,0.5797495031183606,0.6836491672949078,0.8573521348776643,0.8118189294770749,0.7331424336920019
EOS-2-45761,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)nc1C(F)F,VXMSJJGBQAGVBU-UHFFFAOYSA-N,2,1,0.659,84,360,500.872,4.333,5,0.328,0.78,1.0,0.72506168185868,0.7452710575011994,0.7111918305804948,0.69968645055171,0.7203027551230211
EOS-2-45762,Fc1nn(CC(F)F)cc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccn1,LYWZUKVNUYSEJA-UHFFFAOYSA-N,2,1,0.479,75,329,500.872,4.124,5,0.316,0.64,1.0,0.5826879583304777,0.5585377972722911,0.7520303611815503,0.7481238434651497,0.6603449900623672
EOS-2-45763,Fc1cc(-c2cnnn2CC(F)F)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,OLUZKUCEXCEUIC-UHFFFAOYSA-N,2,1,0.455,37,639,500.872,4.124,5,0.296,0.59,1.0,0.5973116989925297,0.7033616612980604,0.7036615036666438,0.7402936741827154,0.6861571345349873
EOS-2-45764,FC(F)(F)Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)cn1,USLYLSGUMIKWOA-UHFFFAOYSA-N,2,1,0.484,65,329,500.872,4.282,5,0.329,0.72,1.0,0.5447878829415393,0.5260348845178535,0.8782211637310671,0.8261085600712769,0.6937881228154342
EOS-2-45765,CCOc1nc2cc(F)ccc2cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)nc12,UUOCCJAXPQEGRR-UHFFFAOYSA-N,2,0,0.227,12,737,474.499,5.902,6,0.307,0.63,0.452,0.3777671167157837,0.1702162291823727,0.7036700705914605,0.7024792680419437,0.4885331711328902
EOS-2-45766,Fc1cc(-c2nnco2)cnc1COc1cncc2nnc(-c3ccc(-c4ccccc4Cl)nc3)n12,PARKZTCMSFQNRK-UHFFFAOYSA-N,2,1,0.442,28,177,500.881,4.67,6,0.321,0.68,1.0,0.7155866630114454,0.6934154615859092,0.6434017545062024,0.6912908642313755,0.6859236858337332
EOS-2-45767,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)cc1-c1nnco1,UIGIQEAWAYCRQH-UHFFFAOYSA-N,2,1,0.473,40,25,500.881,4.67,6,0.3,0.62,1.0,0.7751524912617367,0.7582670824480844,0.7242820917003633,0.7294479473648139,0.7467874031937496
EOS-2-45768,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccc(Cl)cc6)n5)n34)cc2)nc1,BLMRLBALDQEBIE-UHFFFAOYSA-N,2,1,0.53,40,893,500.881,4.67,6,0.321,0.76,1.0,0.827110890274827,0.7540350215886505,0.5047803440477007,0.5632753066959084,0.6623003906517717
EOS-2-45769,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1nnc(-c2ccccc2)o1,WWQWESSOPVXPEO-UHFFFAOYSA-N,2,1,0.517,77,177,500.881,4.67,6,0.321,0.71,0.995,0.905018504557604,0.9391405661023919,0.3572493317798643,0.472560139812213,0.6684921355630183
EOS-2-45770,Fc1cc(-c2cccc(-c3nnco3)n2)cnc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,NTXOWIDAEZSQIR-UHFFFAOYSA-N,2,1,0.495,81,218,500.881,4.67,6,0.321,0.68,1.0,0.8060619560002742,0.8666900829278322,0.6134346514974984,0.6535192927146871,0.734926495785073
EOS-2-45771,Fc1cnc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)cc1-c1ccc(Cl)cc1,FZWRGDXRASQMPF-UHFFFAOYSA-N,2,1,0.41,81,218,500.881,4.67,6,0.321,0.63,0.397,0.6059642930573641,0.6252741415941334,0.6253426769926667,0.6768470289904736,0.6333570351586595
EOS-2-45772,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)c(Cl)cn2)cn1,FCABEXVBONLPON-UHFFFAOYSA-N,2,1,0.473,40,120,500.881,4.67,6,0.321,0.6,1.0,0.8863683092317182,0.8383078610102118,0.6877013227331917,0.6649904050442054,0.7693419745048318
EOS-2-45773,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ccc(-c5nnco5)nc4)nc3)n12,ZAMWYJMZASNJJS-UHFFFAOYSA-N,2,1,0.5,28,177,500.881,4.67,6,0.321,0.61,1.0,0.8113220478377082,0.8724299225549996,0.7036786375162771,0.708013501473511,0.773861027345624
EOS-2-45774,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3nnc(-c4ccc(Cl)cc4)o3)n12,GMBGVAIRSJTAFD-UHFFFAOYSA-N,2,1,0.462,40,937,500.881,4.67,6,0.321,0.64,1.0,0.8033976423822905,0.8781097937084504,0.6046878212596807,0.6622918237269549,0.7371217702693441
EOS-2-45775,Fc1cc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)c2)ccc1Cl,ITWJLDCRLHUMSW-UHFFFAOYSA-N,2,1,0.454,28,218,500.881,4.67,6,0.321,0.72,1.0,0.6516431361798369,0.6350490028099514,0.7010914262216434,0.7240593516551299,0.6779607292166404
EOS-2-45776,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cccc(Cl)c6)n5)n34)cn2)cn1,ITGZUNQFYCUUIW-UHFFFAOYSA-N,2,1,0.412,28,177,500.881,4.67,6,0.3,0.72,1.0,0.5945274484271126,0.635057569734768,0.54943972311699,0.6097251730518813,0.597187478582688
EOS-2-45777,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ccc(Cl)cn6)n5)n34)cc2)c1,FADKITRTLHGYIB-UHFFFAOYSA-N,2,1,0.451,41,518,500.881,4.67,6,0.321,0.72,1.0,0.7279830032211637,0.7266379960249468,0.5426461517373724,0.6245887876088,0.6554639846480708
EOS-2-45778,Fc1ccc(Cl)cc1-c1nc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)no1,MSYGABZZNZRQSJ-UHFFFAOYSA-N,2,1,0.477,40,147,500.881,4.67,6,0.321,0.7,1.0,0.7606743883215681,0.7128709478445617,0.5853265711740113,0.6392981975190186,0.6745425262147899
EOS-2-45779,Fc1cc(-c2nnco2)cnc1COc1cncc2nnc(-c3ccc(-c4cccc(Cl)n4)cc3)n12,NNGDXNHEOKCARU-UHFFFAOYSA-N,2,1,0.468,77,177,500.881,4.67,6,0.3,0.68,1.0,0.8113306147625249,0.6836577342197245,0.6434103214310192,0.664998971969022,0.7008494105955726
EOS-2-45780,Fc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4cnc(-c5cocn5)cn4)n23)cc1,FDXDECJJKPPZQY-UHFFFAOYSA-N,2,1,0.457,28,120,500.881,4.67,6,0.3,0.6,1.0,0.7490490713453499,0.8383164279350285,0.5884534987320952,0.6333527516962512,0.7022929374271811
EOS-2-45781,Cn1c(-c2ccc(Oc3ccc(F)cc3)nc2)nc(OC2CCC(C)(O)CC2)cc1=O,MONJECBIXWYMKW-UHFFFAOYSA-N,2,0,0.289,0,21,425.46,3.846,4,0.668,0.74,1.0,0.17174970872455622,0.022633815365636353,0.32364128572407647,0.42522788020012336,0.2358131725035981
EOS-2-45782,Fc1cc(Cl)ccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-n5cccn5)nc4)n23)nn1,SGYPTXJWNDGSMY-UHFFFAOYSA-N,2,1,0.43,54,826,500.885,3.596,6,0.337,0.68,1.0,0.3754197793160167,0.3997755465698033,0.3946953601535193,0.4600609965046947,0.40748792063600847
EOS-2-45783,COc1cc(-c2nnc3cncc(-c4cnnc(-c5cn(-c6ccc(F)cc6)nn5)n4)n23)ccc1Cl,WPNDPSKLVIAGKT-UHFFFAOYSA-N,2,1,0.321,10,783,500.885,3.692,6,0.348,0.7,0.916,0.06603385648687547,0.4090620930710712,0.4704269755328627,0.556918648481941,0.3756103933931876
EOS-2-45784,COc1ncc(-c2cnc(-c3nnc4cncc(-n5ccc(-c6ccc(F)c(Cl)c6)n5)n34)cn2)cn1,WTKDTQYYHYMQDJ-UHFFFAOYSA-N,2,1,0.368,86,72,500.885,3.692,6,0.348,0.63,1.0,0.05893187581385786,0.20099719004866012,0.43083921595504077,0.4442721540675759,0.2837601089712837
EOS-2-45785,Fc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncc(Cl)c6)cn5)n34)cc2)n[nH]1,ZITHYSORZPWUJK-UHFFFAOYSA-N,2,1,0.453,56,425,500.885,3.8,6,0.362,0.58,1.0,0.7250702487834967,0.7033702282228771,0.48427969296141454,0.49054211500239875,0.6008155712425467
EOS-2-45786,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4cc(-c5ccccn5)nn4)nn3)n12,LBRLHGOTTDDAPE-UHFFFAOYSA-N,2,1,0.5,81,820,500.885,3.596,6,0.337,0.58,0.735,0.35225481461174696,0.601715098348297,0.3723528202316497,0.4663062846960455,0.4481572544719348
EOS-2-45787,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cc(Cl)[nH]n6)n5)n34)cn2)cn1,QLTAGUYIQZPARS-UHFFFAOYSA-N,2,1,0.454,6,786,500.885,3.8,6,0.362,0.68,0.987,0.5631639366732918,0.6739085737783566,0.4386094167637585,0.44758755397162636,0.5308173702967584
EOS-2-45788,O=C(Cn1nc(-c2ccc(F)cc2)cc1-c1ccccc1F)Nc1ccc(F)cc1F,VIMUPQJPCDOWCC-UHFFFAOYSA-N,2,0,0.263,83,148,425.385,5.412,4,0.435,0.91,1.0,0.06422623535055856,0.002655746693167021,0.9743420601740799,0.9754643273250634,0.5041720923857171
EOS-2-45789,O=S(=O)(c1ccc2c(c1)OCO2)N(Cc1ccco1)c1ccc(C(F)(F)F)cc1,BUMYEWSTASGKEK-UHFFFAOYSA-N,2,0,0.24,48,40,425.384,4.423,4,0.605,0.84,0.91,0.04012747584127202,0.0001028030978000137,0.9784027825371805,0.9433983277362757,0.490507847303132
EOS-2-45790,Cn1nnc(-c2cc3c(-c4ccc(F)c(-c5cnn(C(F)F)c5)c4)nn(C)c3cn2)n1,CBRMIIKKRKWVTL-UHFFFAOYSA-N,2,0,0.195,22,542,425.378,3.224,5,0.439,0.75,0.655,0.09897368240696319,0.10928825988623124,0.6521485847440203,0.5759543554245768,0.35909122061544785
EOS-2-45791,FC(F)n1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nc6)cn5)n34)cc2)cn1,LCTAHYPCRBSASS-UHFFFAOYSA-N,2,1,0.325,38,818,500.9,5.827,6,0.277,0.73,1.0,0.1745510931396066,0.3759594955794668,0.9287745870742239,0.9181087656774725,0.5993484853676925
EOS-2-45792,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)cc1F,LHNLSNQZDYFQSM-UHFFFAOYSA-N,2,1,0.327,3,118,500.9,5.341,6,0.325,0.67,0.853,0.045841614693989445,0.3469690219998629,0.7268950037694469,0.8280446850798437,0.48693758138578574
EOS-2-45793,Cn1cnnc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)c(F)c1,GMVIFELUGWFIMB-UHFFFAOYSA-N,2,1,0.372,3,192,500.9,5.247,6,0.329,0.75,1.0,0.2926118840381057,0.5442995682269892,0.8513809882804468,0.8932903844835858,0.6453957062572819
EOS-2-45794,Cn1nc(-c2ccc(F)c(Cl)c2)nc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)nc3)n12,FVOILGKCGBHYQR-UHFFFAOYSA-N,2,1,0.362,3,192,500.9,5.247,6,0.329,0.8,1.0,0.25227880200123365,0.5304125830991707,0.7495887876088,0.8458296209992461,0.5945274484271126
EOS-2-45795,O=C(COc1ccc2c(=O)cc(-c3ccc(Cl)cc3)oc2c1)c1ccc(Cl)cc1,AMYVCVDXZDUCNO-UHFFFAOYSA-N,2,0,0.253,83,148,425.267,6.029,4,0.367,0.9,1.0,0.33357891851141114,0.08985847440202865,0.9869782742786649,0.9901394695360154,0.60013878418203
EOS-2-45796,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)ncc2Cl)o1,RYDXFYFTKUUDHS-UHFFFAOYSA-N,2,1,0.478,67,415,500.91,3.573,6,0.334,0.67,1.0,0.5136214104585018,0.5260434514426702,0.1939551778493592,0.19235316290864232,0.35649330066479334
EOS-2-45797,Cc1nc(-c2ncc(COc3cncc4nnc(-c5cccc(-c6ccc(Cl)nn6)c5)n34)n2C)no1,BMRPIABGHZHZOK-UHFFFAOYSA-N,2,1,0.418,71,506,500.91,3.573,6,0.334,0.63,1.0,0.43596223699540815,0.5079072716057844,0.0885134672058118,0.11019635391679802,0.2856448324309506
EOS-2-45798,COc1nc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(Cl)c(-c4nnc(C)o4)c3)n12,SKBHDSYEZBJUPI-UHFFFAOYSA-N,2,1,0.304,98,424,500.91,3.669,6,0.345,0.61,0.999,0.4223065588376396,0.4672315125762456,0.1368394900966349,0.13712219861558494,0.29087494003152625
EOS-2-45799,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncnn6C)cc5Cl)n34)cc2)no1,IAGLVONLHQDLEG-UHFFFAOYSA-N,2,1,0.467,56,8,500.91,3.573,6,0.334,0.72,1.0,0.5037608799945171,0.47606401206223015,0.18394044273867452,0.18403467891165787,0.3369500034267699
EOS-2-45800,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccc(Cl)nc6)no5)n34)cc2)n(C)n1,UECURFXOLOJADX-UHFFFAOYSA-N,2,1,0.435,56,415,500.91,3.573,6,0.312,0.68,1.0,0.5317747241450209,0.5676101706531423,0.09794565142896305,0.11020492084161469,0.3268838667671852
EOS-2-45801,O=C(NCc1ccc(F)c(F)c1)c1cc(-c2cnc3cc(OC(F)F)ccc3c2)ccc1Cl,KBRIAKYHKSKSTL-UHFFFAOYSA-N,2,0,0.382,57,148,474.841,6.365,4,0.331,0.92,1.0,0.6731118497704064,0.45837331231581113,0.9985864574052498,0.9992032759920499,0.7823187238708793
EOS-2-45802,O=C(Cn1nc(-c2cc(OC(F)(F)F)ccc2F)cc1-c1ccc(Cl)cc1)c1ccccc1,GOQSIWHFBVWVNF-UHFFFAOYSA-N,2,0,0.24,79,148,474.841,6.791,4,0.228,0.81,0.989,0.3592968268110479,0.26119697073538484,0.9972757179082996,0.9974898910287163,0.6538148516208622
EOS-2-45803,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4nc(-c5ccnnc5)nn4C)n23)ccc1Cl,ZMUULXFRLIPHIS-UHFFFAOYSA-N,2,1,0.432,71,404,500.914,2.405,6,0.335,0.63,1.0,0.42703550133644025,0.6395552052635186,0.05630182989514084,0.08407580015077788,0.3017420841614694
EOS-2-45804,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5nnc(C)n5C)o4)n23)cc1Cl,OVGNYCYAUBTGJT-UHFFFAOYSA-N,2,1,0.318,76,750,500.925,5.318,6,0.323,0.66,0.459,0.20846754848879445,0.3807055719279008,0.379900280995134,0.47840278253718044,0.3618690459872524
EOS-2-45805,Cc1c(-c2nnc3cncc(-c4ccc(-c5nc(Cl)n(C)n5)cn4)n23)c(-c2ccc(F)cc2)nn1C,QOLPPZYJKOIUNJ-UHFFFAOYSA-N,2,1,0.325,98,314,500.929,4.15,6,0.358,0.62,1.0,0.11731546843944897,0.3567610170653142,0.17079021314508944,0.2565965321088342,0.22536580768967168
EOS-2-45806,NC(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3)c3ccc(-c4ccccc4)nc32)cc1,YYHNWKHYGUHMOU-UHFFFAOYSA-N,2,0,0.245,83,148,424.891,5.507,5,0.413,0.89,0.978,0.007230484545267631,0.012807552600918374,0.8186296347063258,0.822082105407443,0.41518744431498866
EOS-2-45807,Fc1ccc(-c2ccc(COC(Cn3cc(Cl)cn3)c3ccc(F)cc3)cc2)cc1,LGKMJKGJUYEFMG-UHFFFAOYSA-N,2,0,0.23,83,148,424.878,6.44,4,0.341,0.87,0.998,0.1503323966828867,0.01177095469810157,0.9981409773147831,0.9993060790898499,0.5398876019464053
EOS-2-45808,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4cccc(-c5cncc(Cl)n5)n4)n23)s1,PTILNROJIRZZLJ-UHFFFAOYSA-N,2,1,0.365,32,750,500.95,5.535,6,0.314,0.64,0.999,0.1584538414090878,0.3128383935302584,0.38738777328490165,0.5265489000068535,0.34630722705777534
EOS-2-45809,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)c(Cl)c6)s5)n34)cc2)cn1,DJNRUVJWSXZBGK-UHFFFAOYSA-N,2,1,0.323,3,641,500.95,5.535,6,0.314,0.68,1.0,0.2572647522445343,0.4629994517168117,0.6075834418477143,0.6828096086628743,0.5026643136179836
EOS-2-45810,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cc6ncccn6n5)n4)n23)cc1,DTSFOXHKJDRTON-UHFFFAOYSA-N,2,1,0.337,93,93,500.953,5.883,7,0.3,0.65,1.0,0.22196902199986293,0.4045130559934206,0.7010999931464601,0.8009646357343568,0.532136676718525
EOS-2-45811,Fc1ccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)ccc2Cl)c(F)c1,RZNKRLGZKVHFDC-UHFFFAOYSA-N,2,1,0.384,83,30,500.961,7.785,6,0.248,0.76,1.0,0.40852237680762116,0.7407048865739154,0.9871410458501816,0.9942944280720992,0.7826656843259543
EOS-2-45812,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)c4)c3n2)cc1,FPYXRCDWJFPTNM-UHFFFAOYSA-N,2,0,0.294,1,640,475.43,5.626,5,0.315,0.86,1.0,0.3978822561853197,0.1661726406689055,0.9842282914125146,0.9597097525872113,0.6269982352134877
EOS-2-45813,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccncc5)c4)c3n2)cc1,UTBMKOGVXHYGST-UHFFFAOYSA-N,2,0,0.303,1,640,475.43,5.626,5,0.315,0.84,1.0,0.4063720786786375,0.16618120759372215,0.9854619285861147,0.9614145706257282,0.6298574463710507
EOS-2-45814,COc1nncc2cc(-c3cncc4nnc(-c5cnn(C6CC7OCC(F)C7O6)c5)cc34)nn12,HOQJTJCQPVCQDX-UHFFFAOYSA-N,2,0,0.154,92,792,475.444,2.026,7,0.381,0.43,0.069,0.24958022068398328,0.11525083955863204,0.5790127475841272,0.43497704064149134,0.3447052121170585
EOS-2-45815,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(Cl)cc5)n4)n23)cc1,SSZRNCBXLCEDDR-UHFFFAOYSA-N,2,1,0.523,67,755,500.975,4.943,6,0.319,0.71,1.0,0.547272291138373,0.7128795147693784,0.412266122952505,0.4569083681721609,0.5323315742581043
EOS-2-45816,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4csnc4-c4ccc(Cl)cc4)n23)cn1,FPFPSZPHFPKNHA-UHFFFAOYSA-N,2,1,0.484,28,247,500.975,4.943,6,0.319,0.7,1.0,0.5012336371736001,0.6252827085189501,0.4978497018710164,0.5233534370502364,0.5369298711534507
EOS-2-45817,COc1cc(-c2nnsc2Cl)ccc1-c1cncc2nnc(-c3c(-c4ccccc4)ncn3C)n12,OKJZZJUNMUHDMV-UHFFFAOYSA-N,2,1,0.312,30,498,500.975,5.039,6,0.327,0.57,0.417,0.1115070934137482,0.19152217120142553,0.3016499897196902,0.35838016585566446,0.24076485504763212
EOS-2-45818,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccc(Cl)cc6)s5)n34)cc2)n1,PXCQXEHQCPWYCQ-UHFFFAOYSA-N,2,1,0.518,77,937,500.975,4.943,6,0.319,0.7,1.0,0.4911932012884655,0.7407134534987321,0.38372112946336784,0.4442807209923926,0.5149771263107394
EOS-2-45819,COc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3cnn(C)c3-c3ccccc3Cl)n12,LWXQYPIOOBPLKV-UHFFFAOYSA-N,2,1,0.333,3,340,500.975,5.039,6,0.327,0.58,1.0,0.19441779178945925,0.2819631964909876,0.48084435610993076,0.5137756151052019,0.3677502398738949
EOS-2-45820,COc1ccc(F)c(F)c1-c1nc(-c2ccc(F)c(F)c2)n2c1CCOC(CF)C2,SQAWDLIWEJSAKV-UHFFFAOYSA-N,2,0,0.222,23,627,424.369,4.693,4,0.57,0.49,0.981,0.2303817421698307,0.17022479610718935,0.9287831539990405,0.9487440888218766,0.5695334452744842
EOS-2-45821,O=C(O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc2ccc(Cl)cc12,WGEUONVYYAPSQD-UHFFFAOYSA-N,2,0,0.281,79,148,424.283,6.486,4,0.398,0.99,1.0,0.24386608183126585,0.00992906586251799,0.9876978959632651,0.9860616133232815,0.5568886642450825
EOS-2-45822,Cn1cnnc1-c1nc2c(n1C)CCc1nn(C)c(-c3cc(F)c(-c4ccc(Cl)cn4)cn3)c1-2,LAEDTGCMCNBTDM-UHFFFAOYSA-N,2,0,0.196,50,844,475.919,3.631,6,0.395,0.47,0.337,0.09898224933177986,0.11847200328969913,0.017305188129668973,0.08951579740936194,0.08106880954012748
EOS-2-45823,N=c1cnc(-c2ccc(-c3ccc(F)cc3OCc3cccc(Cl)c3)cc2F)c[nH]1,NUIRHOWIIXCCLA-UHFFFAOYSA-N,2,0,0.245,83,148,423.85,5.734,4,0.43,0.88,1.0,0.22489891028716333,0.04646700020560619,0.9945685696662326,0.9956565691179494,0.5653977623192379
EOS-2-45824,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)c3n2)cc1,DCZCQJBXZFRAOQ-UHFFFAOYSA-N,2,0,0.284,1,640,476.418,5.021,5,0.337,0.82,0.976,0.3707251045164828,0.16618977451853884,0.9516482763347269,0.8878675210746351,0.5941076691110959
EOS-2-45825,Cc1cnc(-c2nc(-c3ccc(C(F)(F)F)nc3)c(-c3ccc(C(F)(F)F)cc3)n2C)c(C)c1,XQHNHNUTFKDTMC-UHFFFAOYSA-N,2,0,0.275,66,676,476.424,6.866,4,0.303,0.79,0.999,0.1804622712631074,0.05001370707970667,0.9986635597285998,0.9897368240696319,0.5547190905352615
EOS-2-45826,CCNC(=O)N1CCCc2cc(-c3ccc(F)cc3OCc3cccc(F)c3)cnc21,UUIAQSMIIJYIFA-UHFFFAOYSA-N,2,0,0.225,0,378,423.463,5.088,4,0.622,0.89,1.0,0.052138304434240286,0.0016277157151668837,0.3272993626207936,0.4285432801041738,0.20240216571859365
EOS-2-45827,COc1nc(-c2ncc(C)cn2)cc(-c2nc3ccccc3c(=O)n2-c2cccnc2)n1,FSOFOVITTMHAGK-UHFFFAOYSA-N,2,0,0.167,44,770,423.436,3.012,5,0.434,0.75,0.924,0.04013604276608868,0.0002056061956000274,0.10029298882873004,0.0732386402576931,0.05346831951202796
EOS-2-45828,Cc1noc(-c2ccc3c(c2)Cc2cnn(-c4cccc(-c5nncn5C)c4)c2C3=O)n1,CQGYRPOSGRAORR-UHFFFAOYSA-N,2,0,0.202,61,740,423.436,3.161,6,0.431,0.69,1.0,0.09424473990816257,0.017031046535535603,0.15822253443903778,0.13475772736618463,0.10106401206223015
EOS-2-45829,CC(F)(F)n1nnnc1-c1ccc(-c2cnn(-c3ncccc3C(F)(F)F)c2)nn1,JSZGFGRVZCWSGF-UHFFFAOYSA-N,2,0,0.175,68,542,423.309,2.966,4,0.465,0.75,1.0,0.02713145089438695,0.0033068329792337744,0.8928020697690358,0.7189106298403125,0.4105377458707422
EOS-2-45830,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cccc(Cl)c5)n34)cc2)cn1,WZAWBQALQSEJCM-UHFFFAOYSA-N,2,1,0.485,96,558,398.857,4.877,5,0.433,0.79,1.0,0.21651189089164555,0.39978411349461995,0.7703550133644027,0.8180984853676924,0.5511873757795901
EOS-2-45831,Cc1ccc(-c2nnc3cncc(-c4ccccc4Cl)n23)c(-c2cccnc2)n1,JBCDLFJVJAEFQU-UHFFFAOYSA-N,2,1,0.368,96,46,398.857,4.877,5,0.433,0.83,1.0,0.26012610513330137,0.36141285724076483,0.6877098896580084,0.7756922075251867,0.5212352648893153
EOS-2-45832,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccnc5Cl)n34)cc2)n1,KCERNGJTGLNDCT-UHFFFAOYSA-N,2,1,0.347,9,532,398.857,4.877,5,0.405,0.83,1.0,0.2546090055513673,0.36142142416558154,0.7495973545336166,0.7807124254677541,0.5365850524295799
EOS-2-45833,Cc1cc(-c2cccnc2)ncc1-c1cncc2nnc(-c3ccccc3Cl)n12,NVTAXKSHPLNCCS-UHFFFAOYSA-N,2,1,0.431,96,46,398.857,4.877,5,0.433,0.85,1.0,0.20280481118497704,0.36626173668699885,0.7610941676375849,0.8181070522925091,0.5370669419505174
EOS-2-45834,Cc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccccc5Cl)n34)nc2)c1,LSGKLWGUSUKTTJ-UHFFFAOYSA-N,2,1,0.431,96,140,398.857,4.877,5,0.433,0.8,1.0,0.21126036597902817,0.39478102940168597,0.7396939894455486,0.8009732026591735,0.536677146871359
EOS-2-45835,Cc1ccc(-c2nnc3cncc(-c4ccnc(-c5cccc(Cl)c5)c4)n23)nc1,KXWNODGUEOXNMA-UHFFFAOYSA-N,2,1,0.351,96,693,398.857,4.877,5,0.433,0.84,1.0,0.1717582756493729,0.2926118840381057,0.7448341443355493,0.8095829620999246,0.5046968165307382
EOS-2-45836,Cc1cccc(-c2ncncc2-c2cncc3nnc(-c4ccccc4Cl)n23)c1,SMKGEUOQWXEQLR-UHFFFAOYSA-N,2,1,0.408,96,46,398.857,4.877,5,0.433,0.84,1.0,0.2757864436981701,0.39979268041943666,0.7496059214584333,0.8261171269960935,0.5628255431430335
EOS-2-45837,Oc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(Cl)c4)n23)cc1,QLDPHPSYTPWICL-UHFFFAOYSA-N,2,1,0.411,83,472,398.853,5.484,5,0.437,0.85,1.0,0.43137893221849083,0.6065896785689808,0.9287917209238572,0.9532759920498938,0.7300090809403057
EOS-2-45838,Clc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccccc5)n34)c2)cc1,DQXIEKDYYYBJGV-UHFFFAOYSA-N,2,1,0.606,79,480,398.853,5.904,5,0.378,0.88,1.0,0.7722997052977864,0.8578575834418477,0.9217411417997395,0.9487526557466932,0.8751627715715167
EOS-2-45839,Clc1ccccc1-c1nnc2cncc(Oc3ccc(-c4ccccc4)cc3)n12,BQJWBDSJGQPRNT-UHFFFAOYSA-N,2,1,0.557,79,480,398.853,5.904,5,0.378,0.9,1.0,0.7490576382701666,0.8452213693372627,0.9130457131108217,0.9458399013090261,0.8632911555068192
EOS-2-45840,Cc1nnc(-c2cc(Cl)ccc2-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)o1,RWPWPDZFIBCHIH-UHFFFAOYSA-N,2,0,0.239,62,574,422.897,5.008,5,0.464,0.73,1.0,0.13647967925433485,0.06915221712014255,0.3762079363991502,0.34871667466246314,0.2326391268590227
EOS-2-45841,CCCCOc1cncc2nnc(-c3ccc(F)c(-c4ccc(Cl)nc4)n3)n12,YMLHQLUDWBYEGV-UHFFFAOYSA-N,2,1,0.427,90,244,398.829,4.22,4,0.357,0.78,1.0,0.8007333287643068,0.869662805839216,0.3535826879583305,0.4631707902131451,0.6217874031937496
EOS-2-45842,CCc1ncc(-c2nnc3cncc(OCc4cncc(Cl)c4C)n23)cc1F,GHNJQLXTDMQDMY-UHFFFAOYSA-N,2,1,0.477,90,555,398.829,3.824,4,0.508,0.78,1.0,0.6338667671852511,0.6934240285107258,0.6046963881844973,0.5916489616887122,0.6309090363922967
EOS-2-45843,COc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,DUGRMHFJCASFRO-UHFFFAOYSA-N,2,1,0.718,48,231,398.825,4.214,4,0.486,0.83,1.0,0.9935234048385991,0.9957165375916661,0.8951836748680694,0.8794033993557673,0.9409567541635255
EOS-2-45844,OCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)cc1,BUYNFIKZCCKKEY-UHFFFAOYSA-N,2,1,0.697,48,231,398.825,3.698,4,0.536,0.85,1.0,0.987646494414365,0.9788054280035638,0.9335035295730245,0.9296655472551573,0.9574052498115276
EOS-2-45845,OCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,YKOMGKDGQYTXIK-UHFFFAOYSA-N,2,1,0.838,48,948,398.825,3.698,4,0.536,0.86,1.0,0.9864299910903982,0.9846309368788979,0.9410766911109588,0.9341631827839079,0.9615752004660407
EOS-2-45846,COc1cc(CCOc2cncc3nnc(-c4ccc(F)cc4)n23)ccc1Cl,OOAFXHLEDZQKLH-UHFFFAOYSA-N,2,1,0.809,48,231,398.825,4.214,4,0.486,0.84,1.0,0.9935319717634158,0.9933606332670825,0.9130542800356384,0.8961945719964362,0.9490353642656433
EOS-2-45848,N#Cc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,OIIJPWGFGSMMHX-UHFFFAOYSA-N,2,1,0.453,22,331,398.817,3.564,5,0.461,0.78,1.0,0.10419950654513056,0.38071413885271743,0.6931327530669591,0.7988486053046399,0.4942237509423617
EOS-2-45849,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)ccc1Cl,WULGCWOTNICNKR-UHFFFAOYSA-N,2,1,0.346,61,7,398.817,3.768,5,0.495,0.74,1.0,0.36841203481598245,0.49405455417723254,0.8243352066342265,0.8580374888629977,0.6362098211226098
EOS-2-45850,Fc1cc(Cl)ccc1-n1nnc(-c2cncc3nnc(-c4ccsc4)n23)n1,XPOJCQXWJGDXGW-UHFFFAOYSA-N,2,1,0.316,22,990,398.814,3.288,5,0.463,0.68,0.999,0.01590877938455212,0.08986704132684531,0.27212836680145297,0.5099890343362347,0.22197330546227126
EOS-2-45851,O=c1c(-c2nnc3c(-c4ccc(F)c(F)c4)cccn23)cnc2[nH]c(-c3ccc(F)cc3F)nn12,JYPVTANCRYSXLP-UHFFFAOYSA-N,2,0,0.248,57,236,477.381,4.018,6,0.389,0.67,0.998,0.31864676855595914,0.3662703036118155,0.8398584744020287,0.9192224659036392,0.6109995031183606
EOS-2-45852,CC(OCc1onc(-c2ccc(F)cc2)c1-c1nnc(-c2ccc(F)cc2)o1)c1ccc(F)cc1,VCXTUWLJYYKYDF-UHFFFAOYSA-N,2,0,0.277,83,148,477.442,6.754,5,0.258,0.77,0.994,0.33613186210677815,0.08351895003769447,0.9733654307449798,0.9669402371324789,0.5899891200054828
EOS-2-45853,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1,XTFZSCYTZVUBMK-UHFFFAOYSA-N,2,1,0.768,23,17,398.781,3.861,4,0.549,0.88,1.0,0.8883044342402852,0.4045216229182373,0.9053012130765541,0.8596480707285313,0.764443835240902
EOS-2-45854,COc1ncc(-c2ccc(-c3nncn3-c3ccc(Oc4ccccc4)cc3)cn2)cn1,RLWPLHTWTHFYKR-UHFFFAOYSA-N,2,0,0.234,17,960,422.448,4.587,5,0.395,0.86,0.963,0.06073949695017476,0.00013707079706668494,0.6281611952573504,0.4538671098622438,0.2857262182167089
EOS-2-45855,Cn1cnnc1-c1c(-c2ccc(F)cc2)noc1COc1cnc(OC2CCC2)nc1,JQAKICRJHWBNIK-UHFFFAOYSA-N,2,0,0.24,63,548,422.42,3.577,5,0.445,0.68,1.0,0.31865533548077585,0.06145911863477486,0.0545027756836406,0.11735830306353232,0.1379938832156809
EOS-2-45856,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cscc3C(F)(F)F)n12,YUNCFDMSBVKSET-UHFFFAOYSA-N,2,1,0.427,68,861,398.772,5.331,4,0.428,0.8,1.0,0.3914056610239188,0.6065982454937976,0.9986721266534165,0.9991690082927832,0.748961260365979
EOS-2-45857,N#Cc1ncc(-c2c(-c3ccc(F)cc3)noc2COCc2ccc(F)cc2F)cn1,JEIICJVCDAMLAY-UHFFFAOYSA-N,2,0,0.204,57,358,422.366,4.804,4,0.444,0.84,1.0,0.3260571585223768,0.06916078404495922,0.977177712288397,0.9669488040572956,0.5848361147282571
EOS-2-45858,N#Cc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1F,FEXDYSSVTWHASF-UHFFFAOYSA-N,2,1,0.582,90,708,398.76,3.569,4,0.522,0.74,1.0,0.9313703652936742,0.9701528339387293,0.9593156740456446,0.9638904118977452,0.9561823212939484
EOS-2-45859,Fc1cc(C(F)(F)F)c2nnc(-c3ccc(-c4noc(-c5ccc(F)c(Cl)c5)n4)cc3)n2c1,YKMCBQHTDRDMLC-UHFFFAOYSA-N,2,0,0.312,45,102,477.78,6.064,5,0.295,0.87,1.0,0.3730124734425331,0.32282742786649304,0.995176821328216,0.9946028373654993,0.6714048900006854
EOS-2-45860,O=C(c1cc(-c2ccccn2)c(F)cc1Cl)N1CCCc2cc(-c3ncc(O)c(=O)[nH]3)cnc21,YDYIOWDUUPFNSG-UHFFFAOYSA-N,2,0,0.176,14,358,477.883,3.985,5,0.461,0.63,0.958,0.1665153176615722,0.07295593173874305,0.21466143513124528,0.3619782742786649,0.20402773970255636
EOS-2-45861,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)c(-c5cccc(Cl)n5)n4)n23)nc1,DTLHZBTYSIEFPT-UHFFFAOYSA-N,2,1,0.402,46,915,501.284,4.862,5,0.304,0.64,1.0,0.7155952299362621,0.7622935371119183,0.7423840038379823,0.7944195051744226,0.7536730690151463
EOS-2-45862,COc1nc(-c2nnc3cncc(OCCc4c(F)ccc(Cl)c4Cl)n23)ccc1-c1cocn1,YSPIKVZTDGIXTR-UHFFFAOYSA-N,2,1,0.442,49,703,501.305,4.917,5,0.29,0.51,0.999,0.8218593653622096,0.7082705092180112,0.7542491947090673,0.7481324103899664,0.7581278699198136
EOS-2-45863,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4Cl)n23)ccc1-c1ncno1,XPQXPZVBJNRDSO-UHFFFAOYSA-N,2,1,0.536,88,313,501.305,4.917,5,0.29,0.69,1.0,0.8770046604071002,0.792449112466589,0.8769532588582003,0.8511325474607635,0.8493848947981633
EOS-2-45864,CNC(=O)c1c(C(F)F)nc2n1CCOc1ccc(-c3ccc(Cl)c(F)c3)cc1-2,FZVPKXVWXKGEDG-UHFFFAOYSA-N,2,0,0.226,23,999,421.806,4.699,4,0.667,0.83,1.0,0.2733191693509698,0.22565279967103008,0.834975327256528,0.8561099307792475,0.5475143067644439
EOS-2-45865,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)cc34)o2)cc1,MYDJBMZBPZKNCS-UHFFFAOYSA-N,2,0,0.234,83,574,421.794,5.34,5,0.391,0.61,0.997,0.260134672058118,0.15854807758207115,0.9566684942772942,0.967479953395929,0.585707799328353
EOS-2-45866,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)ccc(Cl)c5F)n34)cc2F)n1,DRQMLWGBSDIVEQ-UHFFFAOYSA-N,2,1,0.576,88,629,501.324,5.398,5,0.292,0.58,1.0,0.9156928928791721,0.9347714344458913,0.9467993968884929,0.9546552669453773,0.9379797477897334
EOS-2-45867,FC(F)n1c(Cl)ccc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,DYZKIAIHLXPZKU-UHFFFAOYSA-N,2,1,0.541,11,669,501.324,5.978,5,0.257,0.62,1.0,0.8508070043177302,0.8313343842094442,0.9619028853402782,0.9603265711740113,0.9010927112603659
EOS-2-45868,FC(F)n1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,XQALUVWXCQSMPT-UHFFFAOYSA-N,2,1,0.7,91,781,501.324,5.978,5,0.275,0.71,1.0,0.9702213693372627,0.9456428620382428,0.9764323898293469,0.9758841066410802,0.9670451819614831
EOS-2-45869,Cn1ccnc1-c1cc(F)c(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)cc1F,IGSLPHBTJSMNEE-UHFFFAOYSA-N,2,1,0.575,88,749,501.324,5.398,5,0.312,0.68,1.0,0.8749314646014666,0.8831300116510178,0.9261531080803235,0.9450517442258927,0.9073165821396751
EOS-2-45870,Cn1nnc(-c2ccc(OCn3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)n3)cc2)n1,CDOKUAGBFLGAHP-UHFFFAOYSA-N,2,0,0.271,83,148,478.343,5.146,5,0.336,0.83,0.996,0.21126893290384482,0.1661983414433555,0.622498457953533,0.6968593653622096,0.4242062744157357
EOS-2-45871,Fc1cc(-c2ccc(Cl)cc2Cl)cc(-n2nnc(-c3ccc(Cl)nn3)n2)c1,BKZWXVMPWPAHPE-UHFFFAOYSA-N,2,0,0.175,34,990,421.65,4.886,4,0.471,0.86,1.0,0.01270474950311836,0.02987286683572065,0.9217497087245562,0.9713436364882462,0.48391774038791036
EOS-2-45872,Clc1cnc(Oc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c(-c2ccc(Cl)nc2)c1,YSIPWUAAPACUGC-UHFFFAOYSA-N,2,1,0.387,41,484,501.333,6.607,6,0.246,0.72,1.0,0.8007418956891235,0.7960643547392228,0.8809968473716675,0.8962031389212528,0.8435015591803166
EOS-2-45873,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)nc5-c5ccc(Cl)cc5)n34)nc2)o1,DARJVZKUZLFBNF-UHFFFAOYSA-N,2,1,0.346,3,572,501.337,5.581,6,0.288,0.7,1.0,0.3478856829552464,0.5121393324652183,0.5593002535809746,0.6796912480296073,0.5247541292577617
EOS-2-45874,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)c1,WPSCIJOTROJLGD-UHFFFAOYSA-N,2,1,0.318,25,219,501.341,4.413,6,0.327,0.78,1.0,0.20847611541361113,0.4139366732917552,0.5222911383729696,0.6623003906517716,0.4517510794325269
EOS-2-45875,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(Cl)c(Cl)c6)n5)n34)nc2)nn1,XQLOFSHFRKFBQN-UHFFFAOYSA-N,2,1,0.286,10,871,501.341,4.506,6,0.347,0.63,0.244,0.02480124734425331,0.18292097868549106,0.4492238366116099,0.5632838736207251,0.30505748406551986
EOS-2-45876,Cn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)cc3)n12,RYFMLYJIBOXZNX-UHFFFAOYSA-N,2,1,0.333,8,635,501.341,4.413,6,0.327,0.7,1.0,0.18899492838050852,0.24609348228359948,0.3016585566445069,0.46006956342951133,0.29920413268453155
EOS-2-45877,CS(=O)(=O)c1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)c2)cc1,XARHUJDIZXAWNT-UHFFFAOYSA-N,2,0,0.299,83,148,421.468,5.764,4,0.421,0.93,1.0,0.018590226852169146,0.0007538893838667671,0.9862929202933315,0.9876293605647317,0.4983165992735248
EOS-2-45878,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(F)cc4F)nc23)n(C)n1,FIFBPUNAJLWSKK-UHFFFAOYSA-N,2,0,0.282,22,292,421.371,2.686,5,0.436,0.73,0.965,0.3260657254471935,0.30770680556507435,0.25057398396271674,0.2685216914536358,0.28821705160715505
EOS-2-45879,Cc1ncc(-c2ncc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cc2F)s1,NYEBDHARDMLMPG-UHFFFAOYSA-N,2,1,0.529,84,749,501.374,5.686,5,0.298,0.69,1.0,0.7490662051949832,0.8831385785758344,0.7347080392022479,0.8118274964018916,0.7946850798437394
EOS-2-45880,Fc1cccc(-c2ncc(COc3cncc4nnc(-c5cc(F)cc(OC(F)(F)F)c5)n34)nn2)c1,SQFHDKFPOYWKCJ-UHFFFAOYSA-N,2,1,0.511,34,679,501.375,4.399,5,0.316,0.72,1.0,0.7520132273319169,0.9158813652251387,0.9638818449729285,0.9450603111507093,0.8942091871701734
EOS-2-45881,Fc1ccccc1-c1ncc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4F)n23)nn1,DNLSEASOFLVVQB-UHFFFAOYSA-N,2,1,0.506,34,679,501.375,4.399,5,0.316,0.6,1.0,0.909815982454938,0.9659550407785621,0.960386539647728,0.9410509903365089,0.9443021383044342
EOS-2-45882,Fc1cncc(-c2ccc(COc3cncc4nnc(-c5ccc(F)c(OC(F)(F)F)c5)n34)nn2)c1,XYJHLOOXIDMDRG-UHFFFAOYSA-N,2,1,0.479,27,679,501.375,4.399,5,0.316,0.65,1.0,0.9289973271194572,0.9500548283188267,0.9764409567541635,0.952650606538277,0.9520359296826811
EOS-2-45883,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(OC(F)(F)F)nc5)cn4)n23)cc1F,GKSCHMDFRXTTII-UHFFFAOYSA-N,2,1,0.419,27,469,501.375,4.399,5,0.316,0.67,1.0,0.7279915701459804,0.8383249948598451,0.9768778699198136,0.9480673017613598,0.8728154341717498
EOS-2-45884,COc1nc(-c2nnc3cncc(OCc4nc(=O)cc(C)[nH]4)n23)ccc1-c1nc(C(F)(F)F)no1,BIGVUHFNGIHFDW-UHFFFAOYSA-N,2,1,0.324,49,456,501.385,2.234,5,0.363,0.54,0.999,0.4476303885957097,0.4090706599958879,0.2541977931601672,0.09942772942224659,0.30258164279350286
EOS-2-45885,FC(F)(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(C(F)(F)F)cn5)cc4)n23)cc1,WIXSTPDORLPHAJ-UHFFFAOYSA-N,2,1,0.64,1,528,501.39,6.683,5,0.257,0.81,1.0,0.969801590021246,0.944554862586526,0.9997858268795833,0.9994517168117333,0.978398499074772
EOS-2-45886,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cnc(Cl)n1C,GEMACEJWVGMBIA-UHFFFAOYSA-N,2,1,0.505,15,771,501.399,5.19,5,0.306,0.69,1.0,0.7693783839353026,0.6934325954355425,0.6309368788979508,0.60047289424988,0.6735551881296691
EOS-2-45887,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cnn(C)c1Cl,TUXLBTDYJYNBAR-UHFFFAOYSA-N,2,1,0.516,15,771,501.399,5.19,5,0.306,0.74,1.0,0.636865190871085,0.7174628195462956,0.6658556644506888,0.642125282708519,0.665577239394147
EOS-2-45888,COCCn1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1-c1ccc(Cl)cc1,LQNNIPFWDZCPLF-UHFFFAOYSA-N,2,1,0.408,95,965,501.399,5.249,5,0.289,0.69,1.0,0.30315776848742376,0.3180385168939757,0.46340209718319514,0.5946559522993626,0.4198135837159893
EOS-2-45889,CC(C)n1cncc1-c1cc(-c2nnc3cncc(OCCc4c(Cl)nsc4Cl)n23)ccn1,ZBFUXZDDFGZTNZ-UHFFFAOYSA-N,2,1,0.495,75,624,501.403,5.016,5,0.309,0.63,0.987,0.44763895552052635,0.48057878144061406,0.33112877801384416,0.355013364402714,0.40358996984442463
EOS-2-45890,Cn1nc(C(F)(F)F)nc1COc1cncc2nnc(-c3ccc(-c4cnn(C)c(=O)c4)cc3F)n12,SQMGHVQWZIGQAO-UHFFFAOYSA-N,2,1,0.406,36,404,501.404,2.417,5,0.337,0.57,1.0,0.5062281543417175,0.6208364745390994,0.512122198615585,0.3937615653485025,0.5082370982112261
EOS-2-45891,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nncn5CCC(F)(F)F)cc4)n23)cc1F,DZQILLFOPHJXRY-UHFFFAOYSA-N,2,1,0.724,43,520,501.419,4.859,5,0.296,0.71,1.0,0.9238229045301899,0.8313429511342608,0.9529418819820438,0.9359022685216914,0.9110025015420465
EOS-2-45892,O=c1[nH]nc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccc(F)c(F)c6)cc5F)n34)cc2)[nH]1,BQQDTBHSXWESNH-UHFFFAOYSA-N,2,1,0.462,83,163,501.428,4.746,6,0.353,0.7,1.0,0.7892793502844219,0.8313515180590775,0.9361507093413748,0.9331437187307244,0.8724813241038997
EOS-2-45893,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(OC(F)F)cc6)cn5)n34)nn2)n1,LUHHNEIPIOUDFD-UHFFFAOYSA-N,2,1,0.41,10,301,501.432,4.237,6,0.312,0.65,0.995,0.05536803509012405,0.36627887053663216,0.7820145980398876,0.789793365773422,0.49836371736001644
EOS-2-45894,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cn(-c6ccc(F)c(F)c6)nn5)n34)c2)cn1,GQDIGQMWKBTHFE-UHFFFAOYSA-N,2,1,0.53,2,884,501.432,3.825,6,0.317,0.65,1.0,0.26289322184908503,0.4540898499074772,0.7924148447673223,0.7966469056267562,0.5765112055376602
EOS-2-45895,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(OC(F)F)cc6)nc5)n34)cn2)nc1,LDVINNDSTLBWQH-UHFFFAOYSA-N,2,1,0.388,42,151,501.432,4.237,6,0.334,0.76,1.0,0.13107394969501748,0.4185114111438558,0.7820231649647043,0.7661743540538688,0.5244457199643616
EOS-2-45896,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-n5nnc(-c6ccccc6F)n5)nc4)n23)c1,QCCYQQACHYGSKO-UHFFFAOYSA-N,2,1,0.453,34,146,501.432,3.825,6,0.339,0.56,1.0,0.42704406826125696,0.5585463641971078,0.6578198889726544,0.7189191967651292,0.590582379549037
EOS-2-45897,Fc1ccc(-n2nnnc2COc2cncc3nnc(-c4ccc(-c5cccnc5)c(F)c4)n23)cc1F,KDZZSYNXJDCRTF-UHFFFAOYSA-N,2,1,0.447,34,807,501.432,3.825,6,0.339,0.71,1.0,0.5113426084572682,0.5878538139949284,0.7086046192858612,0.7783393872935371,0.6465351072578988
EOS-2-45898,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nncn6C(F)F)nc5)n34)cc2)cn1,HXUYSSTVDNPENM-UHFFFAOYSA-N,2,1,0.417,67,722,501.432,4.833,6,0.299,0.61,1.0,0.6141799739565486,0.7174713864711123,0.8279504489068604,0.7898019326982386,0.73735093550819
EOS-2-45899,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5cn(-c6ccc(F)c(F)c6)nn5)n34)c2)ccn1,FEVORZVIXHAXBB-UHFFFAOYSA-N,2,1,0.471,59,153,501.432,3.825,6,0.317,0.62,1.0,0.2522873689260503,0.31804708381879243,0.7542577616338839,0.7685902268521692,0.523295610307724
EOS-2-45900,Fc1cccc(-n2nnnc2COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nc4)n23)c1,QPXQCRXRCNWMOM-UHFFFAOYSA-N,2,1,0.414,34,807,501.432,3.825,6,0.339,0.66,1.0,0.4335206634226578,0.5827993283530943,0.6547957645123706,0.7403022411075321,0.6028544993489137
EOS-2-45901,Cn1c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)nnc1C(F)(F)F,NIZJSILGPVJXDK-UHFFFAOYSA-N,2,1,0.296,98,63,501.436,3.52,6,0.357,0.67,0.677,0.2001319306421767,0.29765780275512305,0.45299328353094376,0.40596943321225415,0.3391881125351244
EOS-2-45902,Cn1nnnc1-c1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)nc1,PUOBRTZBZWNTEI-UHFFFAOYSA-N,2,1,0.37,98,968,501.436,3.52,6,0.357,0.62,1.0,0.33841923103282845,0.3567695839901309,0.7347166061270646,0.6650075388938387,0.5237282400109656
EOS-2-45903,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nnc6ccccn56)n34)nn2)cc1,FKQRZEBKWCKIMB-UHFFFAOYSA-N,2,1,0.474,19,691,501.457,3.514,6,0.309,0.7,1.0,0.6310568158453841,0.6252912754437667,0.41612980604482214,0.46317935713796177,0.5339143136179837
EOS-2-45904,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccc(F)cc6F)nn5C)n34)cc2)no1,KKVIAJFJCJGLPZ-UHFFFAOYSA-N,2,1,0.483,56,893,501.457,3.802,6,0.335,0.71,1.0,0.6282639983551505,0.6641080117880885,0.24335206634226578,0.2713230758686862,0.4517617880885477
EOS-2-45905,O=C(c1cc(F)c(F)cc1Cl)N1CCCc2cc(-c3ccc(F)c(F)c3)cnc21,XOOMLCJAUDPHAS-UHFFFAOYSA-N,2,0,0.233,23,627,420.793,5.551,4,0.402,0.84,1.0,0.052146871359056955,0.05002227400452334,0.9356623946268248,0.977923034747447,0.5039386436844631
EOS-2-45906,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nncn5C(F)F)cc4)n23)cc1,IPNLYPOLCBZHEM-UHFFFAOYSA-N,2,1,0.56,67,402,501.461,3.214,6,0.324,0.69,1.0,0.6031286409430471,0.48463093687889797,0.44923240353642657,0.4059780001370708,0.4857424953738606
EOS-2-45907,CCn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)[nH]n4)n23)cc1F,ZGJHPKLTFJWVAM-UHFFFAOYSA-N,2,1,0.4,73,82,501.461,3.107,6,0.35,0.49,1.0,0.40205434857103695,0.4583818792406278,0.2505825508875334,0.2656175039407854,0.34415907065999585
EOS-2-45908,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)c(OCC(F)F)c1,PZJDWIQNJCSGRT-UHFFFAOYSA-N,2,1,0.316,67,642,501.461,3.078,6,0.35,0.67,1.0,0.34789424988006307,0.307715372489891,0.5157802755123021,0.447596120896443,0.40474650469467477
EOS-2-45909,N#Cc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cc2)cc1,TWMLMUNTSQVOMP-UHFFFAOYSA-N,2,1,0.722,79,640,501.468,5.85,5,0.278,0.77,1.0,0.9935405386882324,0.9924611061613323,0.9930693578233157,0.9855218970598314,0.991148224933178
EOS-2-45910,Cn1cc(-c2cncc(-c3cncc4nnc(-c5c(-c6ccccc6)nn(C)c5C(F)(F)F)n34)c2)cn1,ATNJSAMWUDPKOR-UHFFFAOYSA-N,2,1,0.308,42,714,501.476,4.673,6,0.349,0.66,1.0,0.09665204578164623,0.21527825371804538,0.8012901788773902,0.7162034815982455,0.45735598999383187
EOS-2-45911,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)c(-c6nncs6)n5)n34)c2)cn1,SPDFLZSBHHULLN-UHFFFAOYSA-N,2,1,0.418,40,428,501.482,4.019,6,0.312,0.6,0.999,0.5743352066342265,0.6494585703515866,0.3609759440751148,0.4157871290521554,0.5001392125282709
EOS-2-45912,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)ncc2F)cn1,UMAUPFMGQWJFLH-UHFFFAOYSA-N,2,1,0.421,40,59,501.482,4.019,6,0.334,0.72,1.0,0.7638184497292851,0.7752552943595367,0.33836782948392846,0.3423428825988623,0.5549461140429032
EOS-2-45913,Cc1nnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cc(F)c(C)nn6)cc5F)n34)n2)s1,DPCPPGYASTZSGK-UHFFFAOYSA-N,2,1,0.321,98,424,501.486,3.514,6,0.353,0.48,0.869,0.257273319169351,0.34199163868137894,0.12255842642724968,0.18665615790555823,0.22711988554588444
EOS-2-45914,Cn1ncc(-c2nn3cc(-c4ccc(F)c(F)c4)nc3s2)c1-c1ccc(C(F)(F)F)cc1F,MKQMIGASYVTBIJ-UHFFFAOYSA-N,2,0,0.228,45,102,479.409,5.961,5,0.3,0.69,1.0,0.16117812350078817,0.15079501062298678,0.9951853882530327,0.9939260503049825,0.5752711431704476
EOS-2-45915,Cn1cc(COc2cncc3nnc(-c4ccc(F)cc4)cc23)c(-c2ccc(-c3nnco3)cc2)n1,JKQJINUEPSRZDT-UHFFFAOYSA-N,2,0,0.221,77,152,479.475,4.86,6,0.334,0.6,0.992,0.3616184634363649,0.16620690836817217,0.752038928106367,0.6650161058186553,0.4862201014323898
EOS-2-45916,Cn1cc(-c2ccc3n4c(cncc(nc2)nnc4-c2cccc(-c4ccc(F)nn4)c2)OC3)cn1,HVMVEIWCABNWKS-UHFFFAOYSA-N,2,0,0.229,15,460,479.479,3.827,6,0.439,0.51,0.786,0.25461757247618394,0.10929682681104791,0.37236138715646633,0.2328661503666644,0.24228548420259063
EOS-2-45917,COc1nnc(-c2ccc(-n3nc(-c4ccc(OC(F)F)cc4)nc3S(C)(=O)=O)cc2)s1,GCTOVHOKYONVFC-UHFFFAOYSA-N,2,0,0.333,48,574,479.49,3.466,4,0.396,0.77,1.0,0.07807895277911041,0.06146768555959153,0.14896168871221988,0.11272359673771502,0.1003079809471592
EOS-2-45918,COc1ncc(-c2nc(C)n(C(C)C)c2-c2cncc3nnc(-c4ccc(OCC(=O)O)nc4)n23)cn1,ZXITWUNUVMWRAT-UHFFFAOYSA-N,2,1,0.263,82,974,501.507,2.868,5,0.333,0.56,0.579,0.1692310328284559,0.10258892467959702,0.048728668357206496,0.006065382770200809,0.08165350215886505
EOS-2-45919,Cn1ncc(-c2nccs2)c(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)c1=O,VDYFJMPPDUAFRY-UHFFFAOYSA-N,2,1,0.426,97,214,501.507,3.117,6,0.369,0.64,1.0,0.4359708039202248,0.4274638475772737,0.2080049345486944,0.24735282023164964,0.3296981015694606
EOS-2-45920,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cnc7ncccc76)cn5)n34)cn2)cn1,SZPRAYFHUDVDRK-UHFFFAOYSA-N,2,1,0.415,6,843,501.514,3.295,7,0.337,0.66,1.0,0.20014049756699334,0.19153073812624222,0.27622335686382016,0.22106092796929613,0.22223888013158796
EOS-2-45921,OC1(c2ccc(-n3cccc3)c(F)c2)CCCc2cc(-c3cnc(F)cc3F)ccc21,RWCBDRPIFRDHFA-UHFFFAOYSA-N,2,0,0.176,57,358,420.434,5.529,5,0.443,0.53,1.0,0.1145911863477486,0.07296449866355972,0.997164347885683,0.9981752450140498,0.5457238194777603
EOS-2-45922,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5cccc(F)c5)n4)n23)cc1F,IFFIFSYNSOYGKB-UHFFFAOYSA-N,2,1,0.516,57,461,501.522,5.173,6,0.313,0.75,1.0,0.6141885408813652,0.6592591323418545,0.7397025563703653,0.7215749434582962,0.6836812932629703
EOS-2-45923,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccns6)cc5)n34)cc2)n1,QPRHPZMPODFHMZ-UHFFFAOYSA-N,2,1,0.529,77,190,501.522,5.752,6,0.277,0.67,1.0,0.617135563018299,0.5774792680419437,0.8619097388801316,0.7944280720992393,0.7127381605099035
EOS-2-45924,CC1(C)CN(c2ccc(-c3nnc4cncc(OCc5cc(-c6ccc(F)nc6)no5)n34)cc2)CCO1,QGCVZAXNUUULIW-UHFFFAOYSA-N,2,1,0.467,89,656,501.522,4.175,6,0.317,0.64,1.0,0.39141422794873554,0.13961517373723528,0.3088719073401412,0.2656260708656021,0.2763818449729285
EOS-2-45925,Cc1nc(-c2ccc(-c3cncc4nnc(-c5sc(C)nc5-c5ccc(F)cc5F)n34)nc2)n(C)n1,BDEQVOOXCJXMQU-UHFFFAOYSA-N,2,1,0.318,10,314,501.526,4.667,6,0.346,0.65,0.905,0.1389726543759852,0.327470701117127,0.20801350147351108,0.2741587279830032,0.23715389623740663
EOS-2-45926,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc6ccccc6c5)n34)cc2)cc1,XBICZIILZZVECO-UHFFFAOYSA-N,2,1,0.456,21,810,398.469,6.279,6,0.352,0.87,1.0,0.28431053389075456,0.3567781509149476,0.916960797752039,0.9487612226715099,0.6267026763073127
EOS-2-45927,FC(F)Oc1ccc(-c2cn(C(F)F)nc2-c2ccc(OC(F)(F)F)cc2)cc1,FRMMHYLXFWWZGH-UHFFFAOYSA-N,2,0,0.306,48,444,420.284,6.112,3,0.452,0.92,1.0,0.17738674525392364,0.13962374066205194,0.9999571653759166,0.9999400315262833,0.5792269207045438
EOS-2-45928,c1csc(-c2ncc(-c3ccc(-c4cncc5nnc(-c6ccc(-c7nn[nH]n7)cc6)n45)cn3)cn2)c1,BXHKPFYCFYHYKP-UHFFFAOYSA-N,2,1,0.272,42,57,501.539,4.219,7,0.367,0.68,1.0,0.20281337810979372,0.22566136659584676,0.2797529298882873,0.2860838873278048,0.24857789048043316
EOS-2-45929,Clc1ccc(-c2cc3c(-c4nnc(-c5ccc(Cl)cc5)o4)cncc3nn2)cc1,PDCYVMUEXLACST-UHFFFAOYSA-N,2,0,0.232,83,574,420.259,5.716,5,0.372,0.67,0.972,0.11732403536426564,0.08987560825166198,0.9064748817764375,0.945068878075526,0.5146858508669728
EOS-2-45930,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5cccc(Cl)c5)cc34)o2)cc1,URNOQGQVBGRIAO-UHFFFAOYSA-N,2,0,0.245,83,574,420.259,5.716,5,0.372,0.67,0.998,0.10899698444246453,0.08352751696251114,0.8998012473442533,0.9427044068261257,0.5087575388938387
EOS-2-45931,COc1cc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cc4)n23)ccc1-c1cccnc1,VWBKBVZIKCHXAD-UHFFFAOYSA-N,2,1,0.553,17,410,501.546,6.233,6,0.244,0.76,1.0,0.6486018778699199,0.29262045096292233,0.8619183058049482,0.7732934685765198,0.6441085258035775
EOS-2-45932,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nncs6)cn5)n34)cn2)s1,NHZOKOFAZSQUOI-UHFFFAOYSA-N,2,1,0.452,6,843,501.557,3.811,6,0.319,0.59,1.0,0.3935816599273525,0.35678671783976423,0.1168014529504489,0.06946919333835926,0.2341597560139812
EOS-2-45933,Fc1ccc(-c2c(-c3ccc(-c4ccc(OCC(F)F)nc4)nc3)cc3c(Cl)cccn23)cc1,JOAHNEFSYLDIKH-UHFFFAOYSA-N,2,0,0.208,83,148,479.889,7.167,5,0.259,0.74,1.0,0.44304708381879243,0.4760725789870468,0.9950825851552326,0.9964704269755329,0.7276681687341512
EOS-2-45934,Cc1ncc(-c2ccc(-c3nc(Cl)c(-c4ccc(F)cc4)n3Cc3ccc(F)cc3F)cc2)o1,MCJHRECQGBXNOK-UHFFFAOYSA-N,2,0,0.216,83,148,479.889,7.3,5,0.265,0.82,1.0,0.3286443698170105,0.21528682064286203,0.9865070934137482,0.9863528887670482,0.6291977931601672
EOS-2-45935,COc1ccc(-c2cncc3nnc(-c4ccc(-c5nnc(C)n5C)cc4)n23)cn1,QUUWTOUOIVKNDT-UHFFFAOYSA-N,2,1,0.359,61,336,398.43,2.966,5,0.459,0.84,1.0,0.16923959975327257,0.10930539373586458,0.16150366664382154,0.10576725378658076,0.13645397847988486
EOS-2-45936,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,SITXJCYCZDUEHN-UHFFFAOYSA-N,2,1,0.532,65,349,398.43,2.603,5,0.434,0.83,1.0,0.45014049756699337,0.17890309094647386,0.3457525186758961,0.2741672949078199,0.31224085052429584
EOS-2-45937,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1,FEPSUIAJXYZHAN-UHFFFAOYSA-N,2,1,0.625,15,187,398.43,2.603,5,0.434,0.77,1.0,0.728000137070797,0.42747241450209034,0.22525872112946338,0.19758755397162633,0.3945797066684943
EOS-2-45938,CCn1ncnc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,VWAXHFPCXQDWFO-UHFFFAOYSA-N,2,1,0.446,15,22,398.43,3.044,5,0.434,0.81,1.0,0.32607429237201013,0.16621547529298883,0.08117161263792749,0.09541840860804605,0.16721994722774314
EOS-2-45939,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)n1,GQPVZYHKVFINSK-UHFFFAOYSA-N,2,1,0.785,91,309,398.43,2.603,5,0.434,0.83,1.0,0.8808940442738674,0.5033411006785005,0.17079878006990612,0.17304331437187306,0.4320193098485367
EOS-2-45940,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cn(C)nn5)nc4)n23)cc1,RNEIDJRWBHEIEO-UHFFFAOYSA-N,2,1,0.595,89,895,398.43,2.869,5,0.449,0.78,0.999,0.4270526351860736,0.2055033925022274,0.2907871290521554,0.22701494071688028,0.28758952436433416
EOS-2-45941,Cn1cnc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1,KMOLVSILLJRKJG-UHFFFAOYSA-N,2,1,0.441,87,349,398.43,2.603,5,0.434,0.65,1.0,0.48369714207388115,0.2010057569734768,0.19396374477417586,0.16745767939140566,0.26153108080323484
EOS-2-45942,Cc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(C)nc5)n(C)n4)n23)cn1,NTHQACNDWZHAMJ-UHFFFAOYSA-N,2,1,0.372,95,956,398.43,3.391,5,0.458,0.78,1.0,0.17739531217874033,0.06916935096977589,0.2542063600849839,0.16491330272085533,0.16642108148858886
EOS-2-45943,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccccc5)n34)ccn2)n1C,SQQOJUNENHOYQE-UHFFFAOYSA-N,2,1,0.538,36,250,398.43,2.869,5,0.449,0.72,1.0,0.42458536083887327,0.20101432389829346,0.09086080460557878,0.0895243643341786,0.20149621341923102
EOS-2-45944,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cc2)cn1,QYWYDPFWGMAATJ-UHFFFAOYSA-N,2,1,0.536,15,519,398.43,2.603,5,0.434,0.73,1.0,0.554931121924474,0.4320899869782743,0.26136830923171817,0.22381947776026317,0.3680522239736824
EOS-2-45945,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)c1,ZBGAZXGCHGFBSS-UHFFFAOYSA-N,2,1,0.525,65,981,398.43,2.603,5,0.434,0.73,1.0,0.6609296826811047,0.4540984168322939,0.24336063326708246,0.1895860461928586,0.3869936947433349
EOS-2-45946,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2)n1,PLWBCABYUASEHA-UHFFFAOYSA-N,2,1,0.566,15,361,398.43,2.603,5,0.434,0.68,1.0,0.7490747721197999,0.45839044616544444,0.29435096977588926,0.23287471729148104,0.4336727263381537
EOS-2-45947,Cn1nc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1-c1cncnc1,LNAAQPYMXCFXEH-UHFFFAOYSA-N,2,1,0.592,95,54,398.43,2.603,5,0.434,0.76,1.0,0.35460215201151396,0.05770680556507436,0.20091152080049346,0.19482043725584264,0.20201022890823112
EOS-2-45948,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccnc5)n34)nc2)cn1,FHSWZEDRGNXKNS-UHFFFAOYSA-N,2,1,0.455,92,711,398.43,3.044,5,0.434,0.83,1.0,0.2112774998286615,0.10259749160441368,0.26860736070180247,0.19759612089644302,0.19501961825783015
EOS-2-45949,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccncc1,FPMMPVYQZFHGKA-UHFFFAOYSA-N,2,1,0.553,18,493,398.43,2.603,5,0.434,0.82,1.0,0.3057021451579741,0.0655712425467754,0.2181653073812624,0.19236172983345898,0.19545010622986772
EOS-2-45950,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1,LWYQVBQBGMOCKI-UHFFFAOYSA-N,2,1,0.566,15,361,398.43,2.603,5,0.434,0.72,1.0,0.7667569049414023,0.4630080186416284,0.33488109108354464,0.27133164279350286,0.45899441436501953
EOS-2-45951,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cn1,VPDXJKMVAPBNBH-UHFFFAOYSA-N,2,1,0.517,18,367,398.43,2.603,5,0.434,0.75,1.0,0.3570094578849976,0.1152594064834487,0.22189191967651292,0.17305188129668975,0.21680316633541225
EOS-2-45952,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnn(C)c5)n34)cc2)nn1,NVYJNFWRTADSSO-UHFFFAOYSA-N,2,1,0.524,72,889,398.43,2.869,5,0.449,0.79,1.0,0.35701802480981426,0.2716143513124529,0.3126327873346583,0.21823384277979577,0.28987475155918035
EOS-2-45953,Cn1cc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)cn1,ZSKKFJRHIRMDJS-UHFFFAOYSA-N,2,1,0.488,65,349,398.43,2.603,5,0.434,0.75,1.0,0.4383866767185251,0.1961568775272428,0.2361387156466315,0.20054314303337675,0.267806353231444
EOS-2-45954,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)cn4)n23)ccn1,QJMNBNUMHYFVNE-UHFFFAOYSA-N,2,1,0.422,7,62,398.43,2.869,5,0.449,0.75,1.0,0.42231512576245633,0.20102289082311015,0.2505911178123501,0.1623089575765883,0.2590595229936262
EOS-2-45955,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,BYQDJTOSWPLTQJ-UHFFFAOYSA-N,2,1,0.5,18,840,398.43,2.603,5,0.434,0.76,1.0,0.40638064560345416,0.09920498937701323,0.32006887807552603,0.24736138715646633,0.26825397505311493
EOS-2-45956,Cc1nc(-c2cccc(-c3nnc4cncc(COc5ccncc5)n34)c2)n(C)n1,XHDPANPJOSOZHA-UHFFFAOYSA-N,2,1,0.405,14,351,398.43,2.869,5,0.449,0.78,1.0,0.11733260228908231,0.07649407168802687,0.14897025563703653,0.11964567198958262,0.11561065040093207
EOS-2-45957,COc1nc(C)ccc1-c1nnc2cncc(-c3ccc(-c4nccn4C)cn3)n12,CXOSZJMWJWYFHS-UHFFFAOYSA-N,2,1,0.301,82,974,398.43,2.966,5,0.459,0.76,1.0,0.28431910081557127,0.10260605852923035,0.14897882256185319,0.08237098211226099,0.15456874100472898
EOS-2-45958,Cn1ccnc1CCOc1cncc2nnc(-c3cccc(-c4cncnc4)c3)n12,CRNQIGMMTUNVID-UHFFFAOYSA-N,2,1,0.525,15,215,398.43,2.603,5,0.434,0.72,1.0,0.422323692687273,0.27684017545062023,0.20092008772531011,0.1813960660681242,0.27037000548283185
EOS-2-45959,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1,BHHYEZSEGWTGOZ-UHFFFAOYSA-N,2,1,0.592,15,475,398.43,2.603,5,0.434,0.69,1.0,0.5317832910698376,0.3567952847645809,0.2721369337262696,0.23884586388869852,0.34989034336234665
EOS-2-45960,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n1,KMOMVFJEDDVXCP-UHFFFAOYSA-N,2,1,0.506,20,846,398.43,2.603,5,0.434,0.74,1.0,0.42233225961208964,0.3077239394147077,0.2115944760468782,0.17016482763347268,0.27795387567678703
EOS-2-45961,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)n1,SKRHTUVDLMSBIH-UHFFFAOYSA-N,2,1,0.622,75,359,398.43,2.603,5,0.434,0.7,1.0,0.4640360496196285,0.19153930505105887,0.25756459461311765,0.19760468782125967,0.27768615927626616
EOS-2-45962,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1,ZLRIAKSYKMESDL-UHFFFAOYSA-N,2,1,0.785,91,402,398.43,2.603,5,0.434,0.81,1.0,0.7866064697416215,0.539613460352272,0.17080734699472278,0.18959461311767528,0.4216554725515729
EOS-2-45963,Cc1ccnc(COc2cncc3nnc(-c4ccnc(-c5nccn5C)c4)n23)c1,HXEOMQZSBKHMSG-UHFFFAOYSA-N,2,1,0.506,7,420,398.43,2.869,5,0.449,0.62,1.0,0.2546261394010006,0.16242889452402165,0.21160304297169488,0.14406997464190255,0.19318201288465492
EOS-2-45964,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)cn1,IBGQEWAKCQWLTA-UHFFFAOYSA-N,2,1,0.551,65,468,398.43,2.603,5,0.434,0.82,1.0,0.4887430607908985,0.3180556507436091,0.3163765334795422,0.23885443081351518,0.34050741895689124
EOS-2-45965,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)n1,VCYLHGXLAJDUBV-UHFFFAOYSA-N,2,1,0.551,65,981,398.43,2.603,5,0.434,0.7,1.0,0.5345761085600713,0.33691145226509495,0.25059968473716676,0.18960318004249194,0.32792260640120624
EOS-2-45966,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)nc2)cn1,WSOJGNQFTNRJEI-UHFFFAOYSA-N,2,1,0.512,92,119,398.43,3.044,5,0.434,0.77,1.0,0.15303097800013707,0.13578575834418477,0.21161160989651154,0.15170310465355355,0.1630328627235967
EOS-2-45967,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nccn5C)c4)n23)cn1,KINCXENIPKTYSS-UHFFFAOYSA-N,2,1,0.556,55,879,398.43,2.869,5,0.449,0.76,1.0,0.447647522445343,0.23564183400726474,0.2943595367007059,0.19482900418065932,0.2931194743334932
EOS-2-45968,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nc2)cn1,ZZRWIZZYYARXKB-UHFFFAOYSA-N,2,1,0.494,65,549,398.43,2.603,5,0.434,0.81,1.0,0.4789253649509972,0.1961654444520595,0.2907956959769721,0.22382804468507983,0.29742863751627713
EOS-2-45969,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4)n23)nn1,XKKFKVFKIAFCCD-UHFFFAOYSA-N,2,1,0.5,72,534,398.43,2.869,5,0.449,0.71,1.0,0.3662103351380988,0.287266122952505,0.24693304091563292,0.17017339455828936,0.2676457233911315
EOS-2-45970,Cn1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)cn1,RSDWYMSQYAECKZ-UHFFFAOYSA-N,2,1,0.6,75,329,398.43,2.603,5,0.434,0.81,1.0,0.4130628469604551,0.1585566445068878,0.2721455006510863,0.2238366116098965,0.2669004009320814
EOS-2-45971,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2)n1,NSBBQMGPLMKLDL-UHFFFAOYSA-N,2,1,0.625,15,320,398.43,2.603,5,0.434,0.73,1.0,0.6822613254746076,0.42295764512370637,0.2181738743060791,0.17018196148310602,0.37339370159687474
EOS-2-45972,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cccnc4)n23)cn1,BVHOPUSIHXUJQW-UHFFFAOYSA-N,2,1,0.53,92,879,398.43,2.869,5,0.449,0.79,1.0,0.32865293674182716,0.1547786306627373,0.2542149270098006,0.17563052566650675,0.22831925502021794
EOS-2-45973,N#Cc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(C#N)cc5)n34)c2)cc1,BPGXGDYOBPXNDU-UHFFFAOYSA-N,2,1,0.485,62,472,398.429,4.869,5,0.432,0.8,1.0,0.3455554794051127,0.45410698375711056,0.9613803029264615,0.9674885203207456,0.6821328216023576
EOS-2-45974,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2)o1,MMEMLIZVWHQRMV-UHFFFAOYSA-N,2,1,0.761,91,309,398.426,3.771,5,0.43,0.84,1.0,0.8901291892262353,0.6690339935576726,0.33488965800836135,0.29506202453567265,0.5472787163319854
EOS-2-45975,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cc4F)n23)cn1,KJKUNXHTFOQKCO-UHFFFAOYSA-N,2,1,0.37,96,204,398.426,4.593,5,0.444,0.72,1.0,0.3501987526557467,0.4893256116784319,0.8717531354944829,0.8851689397573846,0.6491116098965115
EOS-2-45976,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(O)cc5)n34)cc2)n1,DAFNXEQALXMTLM-UHFFFAOYSA-N,2,1,0.538,43,909,398.426,3.476,5,0.487,0.79,1.0,0.5601826468370914,0.3662874374614488,0.6309454458227675,0.5202008087177027,0.5194040847097526
EOS-2-45977,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccoc5)n34)c2)cn1,NRYWPKRJMGEWCM-UHFFFAOYSA-N,2,1,0.584,35,4,398.426,3.771,5,0.43,0.75,1.0,0.5715338222191763,0.41394524021657186,0.47716057843876364,0.387379206360085,0.46250471180864916
EOS-2-45978,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cn4)n23)c(F)c1,PJEMRCJULKJIFI-UHFFFAOYSA-N,2,1,0.395,96,140,398.426,4.593,5,0.444,0.75,1.0,0.3335874854362278,0.5396220272770886,0.8662274689877322,0.8851775066822014,0.6561536220958124
EOS-2-45979,N#Cc1ccc(-c2nnc3cncc(-c4csc(-c5ccc(F)cc5)n4)n23)cc1,SSBOAXFXGKHDRI-UHFFFAOYSA-N,2,1,0.486,62,3,398.426,4.593,5,0.444,0.79,1.0,0.23870879309163182,0.5630182989514084,0.8349838941813447,0.8724556233294497,0.6272916523884586
EOS-2-45980,COc1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)cc1OC,OTZGKQFXHLOYKS-UHFFFAOYSA-N,2,1,0.416,96,697,398.422,4.736,5,0.426,0.81,1.0,0.27332773627578644,0.06917791789459256,0.8259800561990268,0.6828181755876911,0.4628259714892742
EOS-2-45981,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,ZNUFAFRVWZMTSV-UHFFFAOYSA-N,2,1,0.561,1,700,398.401,3.966,5,0.446,0.81,1.0,0.6059728599821808,0.6985042149270098,0.684882804468508,0.6942293194434925,0.6708972997052978
EOS-2-45982,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccccc5)n34)c2)nn1,VJAJYUMZAGGBSL-UHFFFAOYSA-N,2,1,0.582,77,613,398.401,3.966,5,0.446,0.77,1.0,0.8847148927421012,0.7881570831334385,0.7137619080254952,0.7050407785621273,0.7729186656157905
EOS-2-45983,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,ORQZBMYFBRPYQW-UHFFFAOYSA-N,2,1,0.641,1,850,398.401,3.966,5,0.446,0.86,1.0,0.7892879172092385,0.745279624426016,0.7163148516208622,0.6996950174765266,0.7376443526831608
EOS-2-45984,Fc1cnc(COc2cncc3nnc(-c4ccccc4)n23)nc1-c1ccccc1,UJPAQBKSVOYPGQ-UHFFFAOYSA-N,2,1,0.538,1,700,398.401,3.966,5,0.446,0.77,1.0,0.8414262216434789,0.7710917688986362,0.4771691453635803,0.5265574669316702,0.6540611507093413
EOS-2-45985,Fc1ccccc1-c1nnc2cncc(OCc3ccc(-c4cccnc4)cn3)n12,FFIRKWMZYIKFFU-UHFFFAOYSA-N,2,1,0.64,97,850,398.401,3.966,5,0.446,0.78,1.0,0.670310465355356,0.7312812692755808,0.7448427112603659,0.7403108080323487,0.7216863134809128
EOS-2-45986,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1,FJGPWAIZCBRZDB-UHFFFAOYSA-N,2,1,0.562,97,529,398.401,3.966,5,0.446,0.85,1.0,0.8060705229250908,0.6934411623603591,0.7798300322116373,0.7783479542183538,0.7644224179288602
EOS-2-45987,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,ASVMTSOPVQXCPW-UHFFFAOYSA-N,2,1,0.549,1,700,398.401,3.966,5,0.446,0.8,1.0,0.6703190322801728,0.712888081694195,0.6796141457062573,0.6828267425125077,0.6864120005482832
EOS-2-45988,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccccc5F)n34)nc2)cn1,JTIWZFZCEMKRIE-UHFFFAOYSA-N,2,1,0.437,96,680,398.401,4.063,5,0.454,0.86,1.0,0.47399081625659656,0.6350661366595847,0.739711123295182,0.6912994311561922,0.6350168768418889
EOS-2-45989,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccncc5)n34)cc2)ccn1,LWAXHSADXZILFU-UHFFFAOYSA-N,2,1,0.566,97,91,398.401,3.966,5,0.417,0.85,1.0,0.7920550339250223,0.7082790761428278,0.8398670413268453,0.8073127270235076,0.7868784696045508
EOS-2-45990,COc1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)c(F)c4)n23)cn1,CYCVFUGGKUZYLK-UHFFFAOYSA-N,2,1,0.349,96,680,398.401,4.063,5,0.454,0.82,1.0,0.49120176821328215,0.6017236652731136,0.6848913713933247,0.645038037146186,0.6057137105064766
EOS-2-45991,Fc1cccnc1-c1ccc(COc2cncc3nnc(-c4ccccc4)n23)cn1,OIXUYWBETVGGML-UHFFFAOYSA-N,2,1,0.561,1,805,398.401,3.966,5,0.446,0.87,1.0,0.9212014255362895,0.7495973545336166,0.6492872318552533,0.6450466040710027,0.7412831539990405
EOS-2-45992,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)nc4)n23)cc1,HYPIVTYQJRYKOH-UHFFFAOYSA-N,2,1,0.662,1,805,398.401,3.966,5,0.446,0.88,1.0,0.9627852785963951,0.8985847440202864,0.7218319512027962,0.7080220683983277,0.8228060105544512
EOS-2-45993,Fc1ccc(-c2nnc3cncc(OCc4ccncc4-c4cccnc4)n23)cc1,GDJAUYDBSKFCNU-UHFFFAOYSA-N,2,1,0.649,97,91,398.401,3.966,5,0.446,0.78,1.0,0.9594870125419779,0.9213813309574396,0.8186382016311425,0.8073212939483243,0.876706959769721
EOS-2-45994,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cn1,NWJYAROULTUJQX-UHFFFAOYSA-N,2,1,0.57,97,992,398.401,3.966,5,0.417,0.85,1.0,0.9275666506750737,0.7838564868754712,0.8152885340278254,0.7827684874237544,0.8273700397505312
EOS-2-45995,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccccc5)n4)n23)cc1,WYVZSRZRFLLUIX-UHFFFAOYSA-N,2,1,0.584,1,709,398.401,3.966,5,0.446,0.86,1.0,0.9169522308272222,0.9176461517373724,0.604704955109314,0.6421338496333356,0.770359296826811
EOS-2-45996,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccnc5)n34)c2)cc1,JNQZTKLWQKYWGD-UHFFFAOYSA-N,2,1,0.562,97,137,398.401,3.966,5,0.446,0.8,1.0,0.7782194503461037,0.7266465629497636,0.8114848194092249,0.807329860873141,0.7809201733945583
EOS-2-45997,Fc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccncc5)c4)n23)cc1,UIEHKHMMLWQIIN-UHFFFAOYSA-N,2,1,0.662,97,232,398.401,3.966,5,0.446,0.85,1.0,0.9388150229593585,0.9006665067507368,0.805136728120074,0.785098690973888,0.8574292372010143
EOS-2-45998,Fc1ccccc1-c1nnc2cncc(OCc3ncccc3-c3ccccn3)n12,LRCNSROKGJBRKD-UHFFFAOYSA-N,2,1,0.561,1,850,398.401,3.966,5,0.446,0.76,1.0,0.6000017133849633,0.7360187786991982,0.6105647316839148,0.6302686587622507,0.6442134706325817
EOS-2-45999,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccncc5)n34)cc2)cn1,ZYNMBMBKXLFVBE-UHFFFAOYSA-N,2,1,0.566,97,91,398.401,3.966,5,0.417,0.85,1.0,0.772308272222603,0.6985127818518264,0.838299294085395,0.8031320677129737,0.7780631039681996
EOS-2-46000,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccc5)n34)nn2)cc1,PWFAFDBSOQFNQI-UHFFFAOYSA-N,2,1,0.551,19,691,398.401,3.966,5,0.446,0.87,1.0,0.8007504626139401,0.7540435885134672,0.6769755328627236,0.7240679185799466,0.7389593756425193
EOS-2-46001,Fc1ccccc1-c1nnc2cncc(OCc3cccc(-c4cncnc4)c3)n12,BSYINJGPNJXZHL-UHFFFAOYSA-N,2,1,0.549,1,988,398.401,3.966,5,0.446,0.75,1.0,0.7638270166541018,0.7960729216640394,0.8186467685559592,0.8141748338016586,0.7981803851689397
EOS-2-46002,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccn5)n34)c2)nc1,NDVMEFSVVRZWCY-UHFFFAOYSA-N,2,1,0.658,1,666,398.401,3.966,5,0.446,0.81,1.0,0.5743437735590432,0.5971660612706463,0.6985984510999932,0.6856538277020081,0.6389405284079227
EOS-2-46003,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)cc1,ZLDJYKAIZPWWDW-UHFFFAOYSA-N,2,1,0.645,97,232,398.401,3.966,5,0.446,0.87,1.0,0.9565999588787609,0.8805513672812008,0.7820317318895209,0.7609485299157015,0.845032896991296
EOS-2-46004,COc1cccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)c1,UWHFIOQEBLKQMJ-UHFFFAOYSA-N,2,1,0.39,96,680,398.401,4.063,5,0.425,0.81,1.0,0.3978908231101364,0.4940631211020492,0.7727623192378864,0.7080306353231444,0.593186724693304
EOS-2-46005,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)cc4)n23)cc1,OQHQPMUMZYZEKM-UHFFFAOYSA-N,2,1,0.725,1,326,398.401,3.966,5,0.446,0.85,1.0,0.9633592625591118,0.9317044753615242,0.8170875882393256,0.7988571722294565,0.8777521245973545
EOS-2-46006,Cc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)cn1,YEGDQYFRERKNKW-UHFFFAOYSA-N,2,1,0.5,1,15,398.401,4.488,5,0.444,0.8,1.0,0.8530172709204304,0.7881656500582551,0.7748954835172367,0.7189277636899458,0.783751542046467
EOS-2-46007,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnnc5)n34)cc2)cc1,VKUBARAUFLMJNH-UHFFFAOYSA-N,2,1,0.653,43,326,398.401,3.966,5,0.446,0.78,1.0,0.9388235898841751,0.8914741964224522,0.8349924611061613,0.832088273593311,0.8743446302515249
EOS-2-46008,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1,SJEBXZYKKBGBPG-UHFFFAOYSA-N,2,1,0.671,43,433,398.401,3.966,5,0.446,0.83,1.0,0.9497207182509766,0.9006750736755534,0.8070385854293742,0.7966554725515729,0.8635224624768693
EOS-2-46009,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)n23)cc1,FUDMIWFLWHYSHY-UHFFFAOYSA-N,2,1,0.612,1,436,398.401,3.966,5,0.446,0.79,1.0,0.8034062093071072,0.8517322321979303,0.7112003975053115,0.708039202247961,0.7685945103145775
EOS-2-46010,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cn2)cc1,XNMAPYURKKLRNR-UHFFFAOYSA-N,2,1,0.662,1,801,398.401,3.966,5,0.446,0.84,1.0,0.6085600712768144,0.7540521554382839,0.7112089644301282,0.7110204920841615,0.696210420807347
EOS-2-46011,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ccn1,QATZNVBIOYRFTC-UHFFFAOYSA-N,2,1,0.443,1,198,398.401,3.966,5,0.417,0.81,1.0,0.7809180316633542,0.6592676992666713,0.7347251730518813,0.7294565142896305,0.7260918545678843
EOS-2-46012,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2)cc1,PXABHISGOQHSRO-UHFFFAOYSA-N,2,1,0.603,40,326,398.401,3.966,5,0.446,0.77,1.0,0.8508155712425468,0.8696713727640326,0.7773970255637036,0.7807209923925708,0.8196512404907135
EOS-2-46013,Fc1nccnc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,ULLLXLIBMHRFIH-UHFFFAOYSA-N,2,1,0.532,1,285,398.401,3.966,5,0.446,0.79,1.0,0.8034147762319238,0.8004506202453567,0.6372335686382017,0.6623089575765883,0.7258519806730176
EOS-2-46014,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccccc5)n34)cc2)nc1,NJJOLZTTWJKQRP-UHFFFAOYSA-N,2,1,0.63,1,230,398.401,3.966,5,0.446,0.84,1.0,0.9454886573915428,0.7795130559934206,0.6769840997875403,0.6591306284696046,0.765279110410527
EOS-2-46015,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnc5)n34)cc2)nc1,OYXPUCUEKGELHK-UHFFFAOYSA-N,2,1,0.562,97,666,398.401,3.966,5,0.446,0.85,1.0,0.957448084435611,0.7881742169830718,0.7749040504420533,0.7481409773147831,0.8171668322938799
EOS-2-46016,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5)n34)cn2)cc1,CXJIPRFUGJHDCK-UHFFFAOYSA-N,2,1,0.584,97,801,398.401,3.966,5,0.446,0.85,1.0,0.797786306627373,0.8240867658145432,0.7944966074977726,0.7807295593173874,0.7992748098142691
EOS-2-46017,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccccc5)n34)cn2)cn1,ZFUHYZAWBOSAKJ-UHFFFAOYSA-N,2,1,0.575,1,992,398.401,3.966,5,0.417,0.86,1.0,0.9002638612843533,0.7128966486190117,0.7397196902199986,0.705049345486944,0.7644823864025769
EOS-2-46018,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2)cn1,OTTHQDYXUUYNOH-UHFFFAOYSA-N,2,1,0.68,1,744,398.401,3.966,5,0.417,0.82,1.0,0.7250788157083133,0.7452881913508327,0.7634158042629018,0.7323435679528476,0.7415315948187239
EOS-2-46019,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncccn5)n34)c2)cc1,SWMAMAWPQZLXSM-UHFFFAOYSA-N,2,1,0.544,57,210,398.401,3.966,5,0.446,0.83,1.0,0.7575217599890344,0.7960814885888562,0.6903399355767253,0.7162120485230622,0.7400388081694195
EOS-2-46020,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncn5)n34)cc2)cc1,OYZKQBGYRJLVCP-UHFFFAOYSA-N,2,1,0.577,1,326,398.401,3.966,5,0.446,0.81,1.0,0.8459666917963128,0.8696799396888493,0.7992426838462066,0.7944366390240559,0.8273314885888561
EOS-2-46021,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncn5)cc4)n23)cc1,ITTLNJOZTKDOBG-UHFFFAOYSA-N,2,1,0.685,1,326,398.401,3.966,5,0.446,0.87,1.0,0.9746076348433966,0.9300510588719073,0.8279590158316771,0.8073384277979576,0.8849890343362347
EOS-2-46022,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,BCAZFJHZNNFNBZ-UHFFFAOYSA-N,2,1,0.636,43,433,398.401,3.966,5,0.446,0.8,1.0,0.9463710506476595,0.8939414707696526,0.7968268110479062,0.7898104996230553,0.8567374580220684
EOS-2-46023,Fc1ccccc1COc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,GAGLIGMWONEFQF-UHFFFAOYSA-N,2,1,0.562,43,433,398.401,3.966,5,0.446,0.82,1.0,0.9489411280926598,0.8985933109451032,0.7968353779727229,0.7898190665478719,0.8585472208895895
EOS-2-46024,Oc1cccc(Oc2cncc3nnc(-c4ccccc4-c4ccc(F)cc4)n23)c1,RYWUCVJOHVNVSW-UHFFFAOYSA-N,2,1,0.506,83,480,398.397,5.095,5,0.456,0.83,1.0,0.8573178671783976,0.7795216229182372,0.9053097800013707,0.9116407374408882,0.8634475018847234
EOS-2-46025,O=c1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccnc5)n34)c2)n[nH]1,AQVGRWMVIMXPID-UHFFFAOYSA-N,2,1,0.409,46,181,398.386,1.911,5,0.476,0.77,1.0,0.39999828661503667,0.13217051607155095,0.2762319237886368,0.24453430196696593,0.2632337571105476
EOS-2-46026,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C#N)cc5)n34)o2)n1C,HABXRTHOYRDAGL-UHFFFAOYSA-N,2,1,0.481,36,250,398.386,3.152,5,0.453,0.72,1.0,0.5886334041532452,0.4672400795010623,0.22901960112398054,0.21824240970461242,0.3757838736207251
EOS-2-46027,COc1ncccc1-c1cncc(-c2nnc3cncc(Oc4cnccn4)n23)c1,MAKSQEWZUZRSNU-UHFFFAOYSA-N,2,1,0.391,2,419,398.386,2.839,5,0.441,0.74,1.0,0.38920396134603524,0.23565040093208142,0.30166712356932357,0.18961174696730862,0.2790333082036872
EOS-2-46028,Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nn4)n23)cc1,BQIWRXMYSUTJGO-UHFFFAOYSA-N,2,1,0.506,72,226,398.386,2.323,5,0.475,0.59,1.0,0.5187529984236858,0.4229662120485231,0.22526728805428003,0.2094698786923446,0.3441140943047084
EOS-2-46029,O=c1ccc(-c2cncc(-c3nnc4cncc(OCc5ccncc5)n34)c2)n[nH]1,PKNIKDXYQOTQGV-UHFFFAOYSA-N,2,1,0.422,2,422,398.386,1.911,5,0.476,0.77,1.0,0.47893393187581385,0.28727468987732163,0.35359125488314713,0.30464841340552395,0.3561120725104516
EOS-2-46030,O=c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)c[nH]1,GQDQJLSHVFSTDF-UHFFFAOYSA-N,2,1,0.441,7,85,398.386,1.911,5,0.476,0.72,1.0,0.2277002947022137,0.14681139058323625,0.27215406757590294,0.23288328421629773,0.21988725926941266
EOS-2-46031,OCc1ccc(-c2nnc3cncc(Oc4ccc(-c5cncnc5)nn4)n23)cc1,SLNUESMINJDIRP-UHFFFAOYSA-N,2,1,0.422,89,412,398.386,2.323,5,0.475,0.67,1.0,0.6516517031046536,0.48933417860324857,0.4308477828798574,0.34872524158727985,0.48013972654375986
EOS-2-46032,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc6c(c5)OCO6)n34)cc2)o1,WCVOLJQISFSZKQ-UHFFFAOYSA-N,2,1,0.462,9,697,398.382,3.545,6,0.455,0.83,1.0,0.4085309437324378,0.27684874237543694,0.4704355424576794,0.3841323418545679,0.3849868926050305
EOS-2-46033,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cc(F)ccc5C#N)n34)cn2)n1,XCIZYAOTUIPTKX-UHFFFAOYSA-N,2,1,0.33,50,649,398.365,2.055,5,0.452,0.74,1.0,0.21371907340141183,0.3518436022205469,0.3236498526488932,0.39989548351723664,0.3222770029470221
EOS-2-46034,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(F)c(C#N)c5)n34)c2)o1,SHIYCXKQTIWDHC-UHFFFAOYSA-N,2,1,0.346,82,859,398.361,3.223,5,0.454,0.69,0.999,0.31619662805839216,0.4407597148927421,0.6339952710575012,0.6273987389486669,0.5045875882393256
EOS-2-46035,CC(Cn1cncn1)NC(c1ccc(F)c(F)c1)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1,ZQWPBTJKQHKLEF-UHFFFAOYSA-N,2,0,0.243,48,444,480.397,4.273,4,0.377,0.67,1.0,0.45478377081762733,0.31806421766842574,0.9929494208758823,0.9669573709821122,0.683188695086012
EOS-2-46036,N#Cc1ncc(COc2cncc3nnc(-c4cc(-c5nnco5)ccn4)n23)cn1,UNCRALIALOPHAC-UHFFFAOYSA-N,2,1,0.376,7,62,398.346,1.477,5,0.423,0.66,1.0,0.43138749914330754,0.2612055376602015,0.1306970050030841,0.09943629634706326,0.23068158453841411
EOS-2-46037,Cc1nn(-c2ccc(-c3ccsc3)cc2)c(-c2ccc(-c3ccnc(F)c3)nc2)c1C(F)(F)F,QKAFUSWJWBUNMI-UHFFFAOYSA-N,2,0,0.205,96,676,480.49,7.191,5,0.202,0.77,1.0,0.003658076896717154,0.0014478102940168598,0.9927181139058323,0.9803217736961141,0.49453644369817007
EOS-2-46038,Nc1c(F)cc(-c2nnc3cncc(OCc4ccc([N+](=O)[O-])cc4)n23)cc1F,ZXBRZQXJIRZNEM-UHFFFAOYSA-N,2,1,0.551,48,17,398.329,3.139,4,0.311,0.74,1.0,0.9427215406757591,0.5585549311219244,0.742392570762799,0.5265660338564869,0.6925587691042423
EOS-2-46039,Cn1nnc(-c2ccc(-c3cncc4cc(-c5c(F)ccc(F)c5F)nnc34)cc2)n1,KMBACMABKVVRBG-UHFFFAOYSA-N,2,0,0.2,45,46,419.37,3.967,5,0.412,0.8,1.0,0.09899081625659653,0.08988417517647865,0.8834127201699677,0.8794119662805839,0.4879249194709067
EOS-2-46040,Fc1ccc(-c2cnc(Oc3ccc(F)cc3F)c3ccc(C(F)(F)F)cc23)cc1,ULSPEMSLTNJLSK-UHFFFAOYSA-N,2,0,0.234,57,148,419.324,7.13,4,0.33,0.91,0.998,0.454792337742444,0.2010314577479268,0.9999485984511,0.99997429922555,0.6639366732917552
EOS-2-46041,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnn(CBr)c5)nn4)n23)cc1Cl,QUHUUMJCKVBOTJ-UHFFFAOYSA-N,2,1,0.53,54,251,501.707,4.382,5,0.33,0.69,0.988,0.4912103351380988,0.597174628195463,0.6166558152285656,0.6913079980810088,0.599087194160784
EOS-2-46042,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c2)cnc1Cl,XOSCOVQZGLGROD-UHFFFAOYSA-N,2,1,0.511,59,89,501.736,5.927,5,0.278,0.73,1.0,0.9036563635117538,0.9543040230278939,0.9685508189980124,0.9815725447193475,0.9520209375642519
EOS-2-46043,Cc1nc(-c2ccc(Cl)c(Cl)c2)cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)n1,VCFBCJYVUQPDKT-UHFFFAOYSA-N,2,1,0.402,13,236,501.736,6.448,5,0.282,0.79,1.0,0.721840518127613,0.8047512165033239,0.9426273045027757,0.9684223151257625,0.8594103385648688
EOS-2-46044,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)nn4)n23)c(Br)c1,ACBHWMLHTKKUJE-UHFFFAOYSA-N,2,1,0.536,34,820,501.757,4.095,5,0.355,0.61,1.0,0.48120416695223084,0.7360273456240148,0.3457610856007128,0.47256870673702966,0.508890326228497
EOS-2-46045,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cc2Cl)n1,VQLZQZBMOUFMMU-UHFFFAOYSA-N,2,1,0.59,88,803,501.761,5.731,5,0.293,0.74,1.0,0.8730124734425331,0.8752655746693166,0.7903587828113221,0.8661075320402988,0.8511860907408676
EOS-2-46046,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5c(Cl)cncc5Cl)n34)c(Cl)cn2)n1,YLIPZOQFXJWRHQ-UHFFFAOYSA-N,2,1,0.518,65,559,501.765,4.564,5,0.336,0.5,1.0,0.5797580700431773,0.6985213487766432,0.6340038379823179,0.7403193749571654,0.663150657939826
EOS-2-46047,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5Cl)n34)nn2C)cc1Cl,OZROMLRJUWAQQQ-UHFFFAOYSA-N,2,1,0.38,95,694,501.765,4.829,5,0.318,0.66,0.793,0.34556404632992943,0.37099924611061613,0.690348502501542,0.7609570968405182,0.5419672229456515
EOS-2-46048,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5Cl)n34)cnc2Cl)cn1,AATHHUOQUXTOGS-UHFFFAOYSA-N,2,1,0.495,65,35,501.765,4.564,5,0.315,0.58,1.0,0.5857549174148448,0.7082876430676445,0.7585497909670345,0.8118360633267082,0.716107103694058
EOS-2-46049,CC1(C)CC(c2snnc2-c2ccc(-c3ccc(Cl)cn3)cn2)=CC(F)C1F,ASIGYQLLOYESHF-UHFFFAOYSA-N,2,0,0.179,78,792,418.9,5.805,4,0.539,0.43,0.389,0.08240524981152765,0.07650263861284354,0.934343088205058,0.9116493043657049,0.5012250702487835
EOS-2-46050,Fc1ccc(-c2cc(-c3cncc(Cl)c3)n3cnc(-c4ccc(F)nc4)cc23)cc1,QZRMGBVMNWBACB-UHFFFAOYSA-N,2,0,0.228,83,533,418.834,6.057,5,0.335,0.82,0.999,0.20014906449181002,0.23565896785689808,0.9905164142279488,0.994817010485916,0.6052853642656433
EOS-2-46051,Cc1cncc(-c2cccn3c(-c4cc(-c5ncc(F)cn5)c(Cl)cn4)nnc23)n1,YSMLDSLZTXTLRF-UHFFFAOYSA-N,2,0,0.233,73,775,418.823,3.806,5,0.439,0.72,1.0,0.22770886162703036,0.19154787197587553,0.3984476732232198,0.46631485162086217,0.32100481461174696
EOS-2-46052,Cn1c(-c2cc(F)cc(-c3ccc(Cl)nn3)c2)nnc1-c1cc2ccncc2nn1,XINWVPQDPHPENI-UHFFFAOYSA-N,2,0,0.218,22,311,418.823,3.737,5,0.44,0.77,0.641,0.16652388458638887,0.1184805702145158,0.4737509423617298,0.5854122404221781,0.33604190939620315
EOS-2-46053,Fc1cc(-c2nnc(-c3ccncc3)o2)ccc1-n1cc(-c2ccc(Cl)cc2)nn1,YWTUXCDBEADAFR-UHFFFAOYSA-N,2,0,0.237,83,574,418.819,4.839,5,0.415,0.87,1.0,0.00969775889246796,0.004052155438283874,0.8558015214858474,0.8580460557878145,0.4318993729011034
EOS-2-46054,Fc1cccc(-c2noc(-c3ccc(-c4nnc(-c5ccc(Cl)cc5)o4)cc3)n2)c1,XMOOHBWSXOLGAD-UHFFFAOYSA-N,2,0,0.309,83,148,418.815,5.913,5,0.361,0.94,1.0,0.16118669042560482,0.03883387019395518,0.895192241792886,0.8974025083955863,0.4981538277020081
EOS-2-46055,Fc1cc(C(F)(F)F)cc(-c2cncc(-c3ccc(Cl)cc3)n2)c1OC(F)F,AZELAEHQVOVYFR-UHFFFAOYSA-N,2,0,0.258,23,240,418.724,6.223,3,0.471,0.81,1.0,0.452547803440477,0.22034987320951271,0.99997429922555,0.9999828661503667,0.6682137105064766
EOS-2-46056,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)n2)ccc1Cl,CKRHJXSCICKVKY-UHFFFAOYSA-N,2,1,0.573,27,401,501.831,5.034,5,0.312,0.68,1.0,0.9184171749708725,0.9616201768213282,0.9784113494619971,0.9603351380988281,0.9546959598382565
EOS-2-46057,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)c(C(F)(F)F)n1,REHCINUGXMGBKN-UHFFFAOYSA-N,2,1,0.472,27,525,501.831,5.034,5,0.246,0.65,1.0,0.9050270714824207,0.9194794736481393,0.9740336508806798,0.9442635871427593,0.9357009457884997
EOS-2-46058,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cc1C(F)(F)F,BZSBNPNFBUTBKH-UHFFFAOYSA-N,2,1,0.441,55,879,501.831,5.034,5,0.246,0.65,1.0,0.8972054691248029,0.9137910355698718,0.9865156603385649,0.9716691796312795,0.9422953361661298
EOS-2-46059,Fc1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4-c4ccncn4)n23)ccc1Cl,SGLLLIQLKVZXNH-UHFFFAOYSA-N,2,1,0.54,59,679,501.831,5.034,5,0.312,0.64,1.0,0.9794650812144473,0.9805959152902474,0.977460420807347,0.9553406209307107,0.973215509560688
EOS-2-46060,Fc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cnc(C(F)(F)F)cn1,BXWFFGLRPFBEGK-UHFFFAOYSA-N,2,1,0.494,27,343,501.831,5.034,5,0.246,0.69,1.0,0.9368189294770749,0.9405198409978754,0.9829860873140978,0.9644558289356453,0.9561951716811734
EOS-2-46061,Cn1nnnc1-c1ccc(-c2nn(-c3ccc(F)cc3)nc2-c2ccc(OC(F)(F)F)cc2)cc1,AXANINWOJVCJAM-UHFFFAOYSA-N,2,0,0.309,83,574,481.413,4.83,5,0.335,0.78,1.0,0.08241381673634432,0.1585652114317045,0.9479816325131931,0.910458501816188,0.5248547906243575
EOS-2-46062,O=C(Nc1ccc(Oc2ccncc2-c2cccnc2)c(F)c1)c1ccc(-c2ncccc2F)cn1,AJJCGFVUMFLFGX-UHFFFAOYSA-N,2,0,0.33,41,20,481.462,5.923,5,0.324,0.91,1.0,0.2387173600164485,0.0026643136179836887,0.9217582756493728,0.8439277636899458,0.5017669282434377
EOS-2-46063,OCc1ccc(-c2nnc3cncc(OCc4c(-c5ccc(Cl)cc5)noc4C(F)(F)F)n23)cc1,NAQNMFYNPJTQFM-UHFFFAOYSA-N,2,1,0.578,1,138,501.852,5.19,5,0.342,0.69,1.0,0.9223579603865396,0.9213898978822562,0.9738023439106298,0.9480758686861764,0.9414065177164006
EOS-2-46064,COc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)nc1,VOLSWSNBEBQCOP-UHFFFAOYSA-N,2,1,0.495,27,343,501.856,4.632,5,0.335,0.57,1.0,0.5631725035981084,0.6886779521622918,0.9603951065725447,0.8905318346926188,0.7756943492563909
EOS-2-46065,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2OC(F)F)cn1,FUZPUWVTJTVKBR-UHFFFAOYSA-N,2,1,0.432,13,251,501.856,5.256,5,0.3,0.57,0.999,0.5162171886779522,0.6934497292851758,0.8796090055513672,0.8529915701459804,0.735566873415119
EOS-2-46066,COc1cc(-c2nnc3cncc(OCc4ccc(-n5cccc5C(F)(F)F)nn4)n23)ccc1Cl,YPOCHALBZCPLRG-UHFFFAOYSA-N,2,1,0.489,27,67,501.856,4.632,5,0.335,0.61,1.0,0.6486104447947365,0.8313600849838941,0.9535844013432938,0.8932989514084024,0.8317134706325817
EOS-2-46067,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)c(C(F)(F)F)n1,CPTXZQBOIMMDTL-UHFFFAOYSA-N,2,1,0.479,20,279,501.86,3.671,5,0.347,0.64,1.0,0.5770509218011103,0.6444726201082859,0.7086131862106778,0.5824395175107944,0.6281440614077172
EOS-2-46068,CCn1cnnc1-c1cc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)ccc1Cl,MYPGBSWFUUYUFO-UHFFFAOYSA-N,2,1,0.484,36,900,501.86,4.111,5,0.342,0.68,1.0,0.7460335138098828,0.8666986498526489,0.7137704749503119,0.5946645192241793,0.7302917894592558
EOS-2-46069,CC(C)(C)n1ncnc2n3c(cncc1nnc3-c1ccc(-c3nnco3)cn1)OC2,AZCSFTCXUSBUHP-UHFFFAOYSA-N,2,0,0.217,78,792,418.421,2.11,5,0.613,0.58,0.332,0.13898122130080187,0.0070934137482009454,0.003718045370433829,8.56692481666781e-05,0.037469587416900825
EOS-2-46070,Fc1cnc(-c2nccc(-c3oncc3COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,DYWKMXBGNAJGEC-UHFFFAOYSA-N,2,1,0.533,80,355,501.869,4.065,6,0.329,0.64,1.0,0.8883130011651018,0.8805599342060174,0.4161383729696388,0.47841134946199715,0.6658556644506888
EOS-2-46071,Fc1cccnc1-c1cc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)ccc1Cl,JYXMRORTBRFUTB-UHFFFAOYSA-N,2,1,0.473,6,247,501.869,4.065,6,0.329,0.61,1.0,0.6793999725858406,0.8123757795901583,0.4942772942224659,0.5469296141457063,0.6332456651360427
EOS-2-46072,Fc1cc(-c2nnc3cncc(OCc4nc(-c5ccccn5)no4)n23)ccc1-c1cnc(Cl)nc1,VBTMFJRUOYZARD-UHFFFAOYSA-N,2,1,0.516,80,414,501.869,4.065,6,0.308,0.61,1.0,0.6942550202179426,0.7219690219998629,0.40191727777397024,0.4476046878212597,0.5664365019532588
EOS-2-46073,Fc1ccccc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)n4CC(F)(F)F)c3)n12,ABLOFZBVFYPJMG-UHFFFAOYSA-N,2,1,0.5,1,138,501.871,6.194,5,0.26,0.71,1.0,0.9143050510588719,0.8963744774175861,0.9911589335891988,0.9890257693098485,0.9477160578438764
EOS-2-46074,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cnnc(-c6c[nH]nn6)c5)n34)ccc2Cl)nc1,UMXJKYWFSMVPKK-UHFFFAOYSA-N,2,1,0.464,73,659,501.873,3.195,6,0.361,0.57,0.934,0.8060790898499075,0.8163679665547255,0.4197621821670893,0.4725772736618463,0.6286966280583922
EOS-2-46075,Cn1c(-c2ccc(F)cc2F)nnc1-c1cncc2nnc(-c3ccccc3F)cc12,KSIRZNPJPLDGRT-UHFFFAOYSA-N,2,0,0.266,45,252,418.382,4.572,5,0.429,0.76,1.0,0.18047083818792406,0.23069871838804742,0.8744688506613666,0.9116578712905216,0.5493240696319649
EOS-2-46076,N=c1cnc(-c2ccc(-c3ocnc3-c3nnc(-c4cccc(F)c4)o3)cc2F)c[nH]1,PWXFKRSQPMGKCR-UHFFFAOYSA-N,2,0,0.21,83,574,418.363,4.206,5,0.452,0.75,1.0,0.13365259406483448,0.008455554794051127,0.7820402988143376,0.7323521348776643,0.41412514563772185
EOS-2-46077,Fc1ccc(Oc2ccc(-c3nnc(-c4nnc(-c5ccccc5)o4)o3)c(F)c2)cc1,VRHVRUCKYCXNKT-UHFFFAOYSA-N,2,0,0.247,83,148,418.359,5.524,5,0.371,0.88,0.988,0.3957576588307861,0.06918648481940923,0.8259886231238435,0.8181156192173258,0.5272620964978412
EOS-2-46078,Fc1cc(-c2cccc3nc(COc4cncc5nnc(-c6ccc(Cl)cc6F)n45)cnc23)ccn1,USZLPEVPWZYDSZ-UHFFFAOYSA-N,2,1,0.49,57,146,501.884,5.307,6,0.296,0.6,0.999,0.8293982592008773,0.9500633952436434,0.8586800082242478,0.8933075183332191,0.882862295250497
EOS-2-46079,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)nc1F,QHBRBGZIBUWJJE-UHFFFAOYSA-N,2,1,0.297,10,783,501.888,4.736,6,0.344,0.64,0.999,0.027140017819203617,0.21529538756767871,0.5157888424371188,0.6828353094373244,0.3602648893153314
EOS-2-46080,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cnc(Cl)cn5)no4)n23)cn1,HAHXDYSEEJLPQN-UHFFFAOYSA-N,2,1,0.358,80,816,501.898,3.142,6,0.317,0.67,1.0,0.4020629154958536,0.47608114591186346,0.06403776300459187,0.07324720718250977,0.25385725789870467
EOS-2-46081,COc1cc2nncc(-c3cncc4nnc(-c5ccc(-c6nnn(C)n6)nc5Cl)n34)c2cc1OC,MSPDUUMYWDSBHN-UHFFFAOYSA-N,2,1,0.319,99,985,501.898,2.658,6,0.321,0.62,0.977,0.2303903090946474,0.27162291823726953,0.13354979096703448,0.12195874169008293,0.18938043999725857
EOS-2-46082,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(-c6nnn(C)n6)c5)n34)cn2)nn1,JSXKDTVRZABKFY-UHFFFAOYSA-N,2,1,0.429,36,614,501.902,1.8,6,0.328,0.56,1.0,0.34086080460557877,0.6208450414639161,0.050690494140223426,0.06769583990130902,0.2700230450277568
EOS-2-46083,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnn(-c5nccc(Cl)n5)n4)n23)cc1,ZTFFXAJVHKZJIN-UHFFFAOYSA-N,2,1,0.412,71,614,501.902,2.068,6,0.295,0.55,1.0,0.39789939003495306,0.3807227057775341,0.010580152148584744,0.015454732369268727,0.20116424508258518
EOS-2-46084,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(-c6nnnn6C)c5)n34)nn2)cn1,LCQDGLSNVSDXKF-UHFFFAOYSA-N,2,1,0.436,36,614,501.902,1.8,6,0.328,0.69,1.0,0.3777756836406004,0.6350747035844013,0.048737235282023166,0.07522616681516003,0.28420344733054625
EOS-2-46085,Cc1nc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)c(OC(F)F)c5)n34)n2)cs1,GYARLCLOHHQNKD-UHFFFAOYSA-N,2,1,0.521,27,67,501.906,4.847,5,0.312,0.69,0.999,0.8437821259680625,0.9347800013707079,0.6848999383181413,0.6507436090740868,0.7785514186827496
EOS-2-46086,Cn1nc(-c2cnn(-c3ccccc3)c2)nc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,YADGBZMUZJXDJT-UHFFFAOYSA-N,2,1,0.495,34,807,501.913,4.144,6,0.338,0.68,0.995,0.38467205811801797,0.6494671372764033,0.3683263655678158,0.47258584058666303,0.468762850387225
EOS-2-46087,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccn(-c5ccc(F)c(Cl)c5)n4)n23)cc1,NDDUQMIVOYAASC-UHFFFAOYSA-N,2,1,0.473,67,755,501.913,4.144,6,0.338,0.73,1.0,0.417500514015489,0.5535004454800905,0.6075920087725311,0.6245973545336166,0.5507975807004318
EOS-2-46088,Cn1cc(-c2cc(Cl)c(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2F)cn1,CTTYARAGTJXQNU-UHFFFAOYSA-N,2,1,0.5,4,547,501.913,4.144,6,0.338,0.64,1.0,0.3408693715303954,0.4541155506819272,0.7086217531354945,0.6737201014323898,0.5443316941950518
EOS-2-46089,Fc1ccc(CCOc2nc(-c3nnc4c(F)cc(Cl)cn34)ccc2-c2cccnc2)cc1F,MOSRAVOGEWUSDJ-UHFFFAOYSA-N,2,0,0.396,88,485,481.865,5.546,5,0.318,0.74,1.0,0.5715423891439929,0.5443081351518059,0.9438181070522925,0.9450774450003426,0.7511865190871085
EOS-2-46090,Cc1snnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4-c4ccc(F)nn4)n23)nc1,WGJVNYIYUWXTOV-UHFFFAOYSA-N,2,1,0.322,10,572,501.938,4.93,6,0.334,0.61,0.809,0.15034096360770338,0.40907922692070453,0.43472859982180795,0.55018504557604,0.386083458981564
EOS-2-46091,Cc1nnc(-c2ccc(-c3cc(-c4cc(Cl)ccc4F)nn3CCCN3CCOCC3)cc2)o1,AIXYWEDIUZWZAQ-UHFFFAOYSA-N,2,0,0.202,0,574,481.959,5.09,5,0.366,0.79,0.999,0.047297991912822974,0.003315399904050442,0.06404632992940854,0.2534010691522171,0.09201519772462477
EOS-2-46092,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)c(F)c6)cc5)n34)s2)nc1,ANVXYTWVDBRALH-UHFFFAOYSA-N,2,1,0.358,93,74,501.949,7.18,6,0.257,0.77,1.0,0.3637430607908985,0.6787745870742239,0.9638904118977452,0.9766551298745803,0.7457657974093619
EOS-2-46093,Fc1cccc(-c2cc(Cl)c(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5F)n34)cn2)c1,VPXVHWUMRNNKPN-UHFFFAOYSA-N,2,1,0.362,83,192,501.949,7.18,6,0.257,0.73,1.0,0.28977623192378865,0.5167740387910356,0.9665975601398122,0.9815811116441642,0.6886822356247002
EOS-2-46094,O=c1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)oc2cccnc12,PYYNGCXLNZIBHF-UHFFFAOYSA-N,2,1,0.505,11,848,501.955,5.296,6,0.305,0.73,0.719,0.8685148379137825,0.8123843465149749,0.6014923583030636,0.6507521759989034,0.733285929682681
EOS-2-46095,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cc5)s4)n23)cc1,MIYUKYPVFBWDDT-UHFFFAOYSA-N,2,1,0.512,67,937,501.963,4.338,6,0.331,0.74,1.0,0.5370005482831882,0.7082962099924611,0.2252758549790967,0.3046569803303406,0.4438073983962717
EOS-2-46096,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5Cl)ns4)n23)cc1,SPKUIZQMRABVIL-UHFFFAOYSA-N,2,1,0.467,67,755,501.963,4.338,6,0.331,0.7,1.0,0.5037694469193338,0.5721420738811597,0.1839490096634912,0.27417586183263654,0.38350909807415534
EOS-2-46097,Cn1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)nc1Cl,OYSFEWGMQYNTQS-UHFFFAOYSA-N,2,1,0.553,40,25,501.963,4.338,6,0.331,0.7,1.0,0.45697690357069426,0.5925227880200123,0.21818244123089575,0.22106949489411282,0.3721879069289288
EOS-2-46098,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5nccn5C)s4)n23)cc1Cl,DUZYFKVTMUAQGU-UHFFFAOYSA-N,2,1,0.318,32,750,501.978,6.083,6,0.292,0.76,0.972,0.20015763141662668,0.41851997806867247,0.6134432184223151,0.6883866767185252,0.4801268761565348
EOS-2-46099,O=C(O)c1ccccc1-c1ccc(Cn2nc(-c3cccc(Cl)c3)ccc2=O)cn1,JJTVSARHTJQPEE-UHFFFAOYSA-N,2,0,0.221,79,480,417.852,4.372,4,0.521,0.85,1.0,0.08242238366116099,0.0023216366253169763,0.74961448838325,0.6997035844013433,0.38351552326776783
EOS-2-46100,Cn1cc(-c2ccc(-c3cc4c(-c5cncc(Cl)c5)cncc4nn3)c(F)c2)nn1,OXQLTCTUXLORQV-UHFFFAOYSA-N,2,0,0.176,96,575,417.835,4.342,5,0.434,0.69,0.998,0.027148584744020286,0.014161126721951888,0.8758052909327668,0.8836782948392845,0.4501983243095059
EOS-2-46101,FC(F)(F)Oc1ccc(-c2noc(-c3ccc(-c4ccc(Cl)cc4)nc3)n2)cc1,NFAHZISXPPTVSJ-UHFFFAOYSA-N,2,0,0.325,83,148,417.774,6.018,4,0.406,0.97,1.0,0.5317918579946542,0.29262901788773904,0.9970272770886163,0.995279624426016,0.7041819443492563
EOS-2-46102,COc1cc(-c2cc3c(-c4nnc(-c5cnc(F)c(Cl)c5)n4C)cncc3nn2)ccc1Cl,QYKXGSNIGTZLFK-UHFFFAOYSA-N,2,0,0.223,13,252,482.306,5.004,5,0.333,0.65,0.905,0.17740387910355698,0.26650846412171886,0.8114933863340416,0.8301521485847441,0.5213894695360154
EOS-2-46103,Clc1cccc(-c2nnc3cncc(OCc4c(Cl)cccc4Cl)c3n2)c1,YLPRASHONFRFBX-UHFFFAOYSA-N,2,0,0.304,23,17,417.683,5.626,4,0.431,0.83,1.0,0.36162703036118155,0.2102923034747447,0.9589130285792612,0.982437804125831,0.6283175416352547
EOS-2-46104,Cn1c(Oc2cncc3nnc(-c4ccc(F)c(F)c4)nc23)ccc1-c1nc(-c2ccccc2)co1,LIJPSAFPLUQXDT-UHFFFAOYSA-N,2,0,0.274,30,93,482.45,5.818,6,0.306,0.64,0.997,0.534584675484888,0.3947895963265026,0.8051452950448907,0.7583870193955178,0.6232266465629498
EOS-2-46105,Cc1nnc(-c2ccc(-n3c(CC4CCCCC4)nnc3-c3ccc(F)cc3)cc2)o1,JHVAAZXEQVWDIY-UHFFFAOYSA-N,2,0,0.229,0,21,417.488,5.555,5,0.425,0.87,1.0,0.033119731341237746,0.012816119525735041,0.01817901446096909,0.16746624631622234,0.05789527791104106
EOS-2-46106,N#Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1,DMZPDYAUYYOPRK-UHFFFAOYSA-N,2,1,0.416,96,246,397.829,4.169,5,0.456,0.78,1.0,0.06263278733465835,0.43209855390309093,0.884569255020218,0.9202590638064561,0.5748899150161058
EOS-2-46107,FC(F)(F)Oc1ccc(-c2nc(-c3cccc(-c4ccc(Cl)cc4)c3)no2)cc1,CBHYCHVNXVDCGD-UHFFFAOYSA-N,2,0,0.316,83,148,416.786,6.623,4,0.375,0.95,1.0,0.537009115208005,0.2926375848125557,0.9990405044205332,0.9991004728942499,0.7069469193338359
EOS-2-46108,Fc1ccc(-c2noc(COC(F)(F)c3ccc(F)cn3)c2-c2nnc(-c3cccnc3)o2)cc1,VNXWHCAVEBEFNH-UHFFFAOYSA-N,2,0,0.222,83,148,483.381,5.393,5,0.284,0.82,0.959,0.3455726132547461,0.12550544856418341,0.9609091220615448,0.9244739908162566,0.5891152936741827
EOS-2-46109,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6cncnc6)cn5)nc34)cc2)cc1,NRLQZJKWCVUAGS-UHFFFAOYSA-N,2,0,0.26,69,645,483.535,5.179,6,0.306,0.78,0.998,0.23596737715029814,0.0014563772188335275,0.5917688986361456,0.5501936125008567,0.3448465663765335
EOS-2-46110,FC(F)(F)Oc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cc2)cn1,ACYNIYCZKDXIJE-UHFFFAOYSA-N,2,1,0.411,83,558,502.283,6.726,5,0.273,0.75,1.0,0.7460420807346995,0.9286032485778904,0.9965132615996162,0.9979696388184497,0.917282057432664
EOS-2-46111,Fc1ccc(-c2ccc(-c3cc4c(OCc5ccc(-c6ccccc6)cc5)cncc4nn3)cc2)cc1,LFUJIOZBIPXLIW-UHFFFAOYSA-N,2,0,0.306,21,452,483.546,7.744,6,0.243,0.72,1.0,0.3311887464875608,0.07994654238914399,0.9829946542389144,0.9815896785689808,0.59392990542115
EOS-2-46112,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(F)nc5)cc34)[nH]2)n1C,HRYGZYDMYRYUSW-UHFFFAOYSA-N,2,0,0.192,72,374,416.42,3.237,5,0.438,0.53,0.386,0.1251884723459667,0.0691950517442259,0.4089078884243712,0.3140891645534919,0.22934514426701394
EOS-2-46113,O=Cc1cn2c(n1)CN(c1cc(-c3cccnc3Oc3ccc(F)cc3)ncn1)CC2,QTDULDBZEZUUDL-UHFFFAOYSA-N,2,0,0.216,44,586,416.416,3.499,5,0.46,0.79,0.999,0.022702350764169692,0.0033239668288671097,0.060037009115208005,0.10375402645466383,0.04745433829072716
EOS-2-46114,Fc1ccc(-c2csc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)n2)cc1,ZWTVICFZHIBEFN-UHFFFAOYSA-N,2,0,0.31,83,148,416.399,6.577,4,0.353,0.9,1.0,0.2815434171749709,0.12181310396819958,0.9989462682475498,0.9981838119388664,0.6001216503323967
EOS-2-46115,FC(F)Oc1ccc(-c2cnnc(-c3ccc(-c4nnc5ccccn45)cc3)n2)cc1,CNHFRGSBQSGBPC-UHFFFAOYSA-N,2,0,0.446,1,574,416.391,4.517,5,0.419,0.85,1.0,0.3031663354122404,0.3026180522239737,0.8976852169145364,0.8661160989651154,0.5923964258789665
EOS-2-46116,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nn2)ccc1Br,OLONFZKBSLAXNU-UHFFFAOYSA-N,2,1,0.31,3,783,502.307,5.201,6,0.33,0.74,1.0,0.05537660201494072,0.24610204920841613,0.7968439448975396,0.8341100678500446,0.48310816599273526
EOS-2-46117,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2Cl)n1,YIHPGJOYGJXRMJ-UHFFFAOYSA-N,2,1,0.562,37,669,502.312,5.373,5,0.278,0.62,1.0,0.7548146117469673,0.8640343362346652,0.9197279144678226,0.9181173326022891,0.8641735487629361
EOS-2-46118,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cccc5Cl)n34)cn2)cn1,DVSBVIBCACBYAN-UHFFFAOYSA-N,2,1,0.538,84,749,502.312,5.373,5,0.298,0.63,1.0,0.7124169008292783,0.8047597834281406,0.9206788431224727,0.9234459598382565,0.840325371804537
EOS-2-46119,FC(F)n1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c(Cl)c2)n1,WDQFNRBEWVVXHF-UHFFFAOYSA-N,2,1,0.568,37,669,502.312,5.373,5,0.278,0.7,1.0,0.7218490850524296,0.8517407991227469,0.915050373517922,0.9136539647728051,0.850573555616476
EOS-2-46120,Fc1ccc(Cn2cc(CCOc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)cc1Cl,BJGRQIWVPCYMSJ-UHFFFAOYSA-N,2,1,0.598,88,86,502.312,4.638,5,0.323,0.72,1.0,0.57435234048386,0.7924576793914057,0.8152971009526421,0.9012833253375369,0.770847611541361
EOS-2-46121,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(Cl)c5)n34)cc2)cn1,YOVSODVLHVCRSV-UHFFFAOYSA-N,2,1,0.535,37,519,502.312,5.373,5,0.278,0.65,1.0,0.7638355835789186,0.8452299362620793,0.9343516551298746,0.9254077856212733,0.8672062401480365
EOS-2-46122,Clc1cc(-c2nnco2)cc(Cl)c1Oc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,WIVAZWBMSORKEP-UHFFFAOYSA-N,2,1,0.43,30,923,502.321,6.002,6,0.283,0.7,1.0,0.6368737577959016,0.6592762661914879,0.7903673497361388,0.8301607155095607,0.7291695223082723
EOS-2-46123,Clc1ccc(-c2nnc3cncc(-c4nc(Cl)ccc4Oc4cccc(-c5nnco5)c4)n23)cc1,OAZQISPIUJKDEV-UHFFFAOYSA-N,2,1,0.378,3,950,502.321,6.002,6,0.264,0.73,1.0,0.5660252895620588,0.7496059214584333,0.77491261736687,0.8341186347748613,0.7311656157905558
EOS-2-46124,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5nncn5-c5ccc(Cl)cc5)nn4)n23)cc1,NTSJJTDWEHNELM-UHFFFAOYSA-N,2,1,0.446,3,417,502.325,4.928,6,0.327,0.67,0.545,0.5826965252552944,0.7623021040367349,0.5948101569460627,0.7294650812144473,0.6673184668631348
EOS-2-46125,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Cl)nc4-c4ccc(Cl)nn4)n23)c1,KVFLMDVDEKCMHW-UHFFFAOYSA-N,2,1,0.306,25,866,502.329,3.808,6,0.331,0.69,1.0,0.19178774587074224,0.31284696045507504,0.22528442190391337,0.3966914536358029,0.2816526454663834
EOS-2-46126,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(Cl)cc6)nn5)n34)cc2)cc1Cl,QXWRHBJVNWQRRE-UHFFFAOYSA-N,2,1,0.354,83,991,502.34,6.152,6,0.289,0.73,1.0,0.08683434994174491,0.4139538071413885,0.9403570694263587,0.9713522034130628,0.6031243574806388
EOS-2-46127,Fc1cc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)ccc1-c1ccc(Cl)cc1,AWTGRGIOBBMIOM-UHFFFAOYSA-N,2,1,0.361,83,991,502.34,6.152,6,0.289,0.69,1.0,0.07808751970392708,0.37596806250428344,0.9311904598725241,0.969955794667946,0.5888004591871702
EOS-2-46128,Fc1cc(-c2nnc3cncc(OCCc4ccc(OC(F)(F)F)cc4)n23)ccc1OC(F)(F)F,JWHUGAHZWBNUGF-UHFFFAOYSA-N,2,1,0.679,48,40,502.346,5.349,4,0.318,0.8,1.0,0.9815639777945309,0.9882204783770817,0.9996487560825166,0.9987063943526832,0.9920349016517032
EOS-2-46129,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)c(F)cn5)n34)c(Cl)n2)cs1,PTLBDAOEFUAWTH-UHFFFAOYSA-N,2,1,0.489,58,24,502.362,5.081,5,0.299,0.62,1.0,0.7638441505037352,0.8349410595572613,0.5562418614214242,0.6274073058734837,0.695608594338976
EOS-2-46130,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(OC(F)(F)F)c(F)cn5)n34)c2)nn1,LWJHOVNNZCLBAW-UHFFFAOYSA-N,2,1,0.429,27,875,502.363,3.794,5,0.32,0.67,0.999,0.7892964841340553,0.8640429031594818,0.9589215955040779,0.9093105338907546,0.8803928791720923
EOS-2-46131,Clc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4n[nH]c5ccccc45)nc3)n12,UGWSCSCSXUAJKS-UHFFFAOYSA-N,2,1,0.481,19,732,502.365,5.658,6,0.316,0.71,0.527,0.8972140360496196,0.9520851895003769,0.7634243711877184,0.8494277294222465,0.8655378315399904
EOS-2-46132,COc1cc(-c2nnc3cncc(OCCc4ccc(Br)cn4)n23)ccc1-c1ccccc1,HJZIWWNXOYNSGO-UHFFFAOYSA-N,2,1,0.557,79,955,502.372,5.246,5,0.303,0.77,1.0,0.8901377561510521,0.8047683503529574,0.7036872044410938,0.6393067644438353,0.7594750188472347
EOS-2-46133,Brc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nnc5n4CCC5)cc3)n12,MMKGUHYXGHPYIG-UHFFFAOYSA-N,2,1,0.679,91,309,502.376,4.38,6,0.343,0.77,1.0,0.582705092180111,0.5585634980467411,0.032614282777054346,0.167474813241039,0.33533942156123636
EOS-2-46134,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnsc5Cl)cn4)n23)cc1,SIINHERWMWJMRY-UHFFFAOYSA-N,2,1,0.373,93,74,502.39,6.346,6,0.28,0.79,1.0,0.13108251661983414,0.36629600438626553,0.7520474950311836,0.8694743334932493,0.5297250873826331
EOS-2-46135,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C(F)(F)F)c5)cc4)n23)cc1,GYONGRFLPNMIEB-UHFFFAOYSA-N,2,1,0.74,1,431,502.403,5.312,5,0.281,0.79,1.0,0.7095983825645946,0.804776917277774,0.9939260503049825,0.9803303406209307,0.8721579226920704
EOS-2-46136,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccccc5OC(F)(F)F)n34)cc2)cn1,IKADFTNHABOLQT-UHFFFAOYSA-N,2,1,0.553,1,431,502.403,5.528,5,0.273,0.73,1.0,0.712425467754095,0.7838650538002878,0.9929579878006991,0.977486121581797,0.8666836577342197
EOS-2-46137,FCc1nnc(-c2ccc(-c3nnc4cncc(Oc5cnc(-c6ccc(F)nc6)cc5F)n34)cc2)o1,HQCYQCQPYGJOPB-UHFFFAOYSA-N,2,1,0.417,41,722,502.416,4.838,6,0.295,0.65,1.0,0.7218576519772463,0.7795301898430539,0.6769926667123569,0.6421424165581523,0.7051307312727023
EOS-2-46138,Fc1ccc(-n2nnc(-c3cnnc(-c4cncc5nnc(-c6ccc(OC(F)F)cc6)n45)c3)n2)cc1,FPMNBHXUHMIZQP-UHFFFAOYSA-N,2,1,0.433,3,158,502.42,3.632,6,0.336,0.69,1.0,0.17455966006442328,0.5585720649715578,0.679622712631074,0.7162206154478789,0.5322437632787335
EOS-2-46139,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc(F)c(F)cc5F)c(F)c4)n23)c1,CUTMUPHBNZYWKF-UHFFFAOYSA-N,2,1,0.349,3,228,502.435,4.872,6,0.253,0.67,1.0,0.30571071208279077,0.4321071208279076,0.9244311561921733,0.9402199986292921,0.6506172469330409
EOS-2-46140,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6nnc(C)o6)cc5F)n34)cc2F)o1,NXAWCLZFNKQLRR-UHFFFAOYSA-N,2,1,0.467,4,71,502.441,4.365,6,0.324,0.53,1.0,0.7033359605236105,0.6208536083887328,0.48789493523404837,0.4157956959769721,0.556970050030841
EOS-2-46141,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)(F)F)cc5)n34)cc2F)s1,BIKFEULEHKWOIT-UHFFFAOYSA-N,2,1,0.631,43,431,502.453,5.235,5,0.294,0.75,1.0,0.9489496950174765,0.9520937564251936,0.9561373449386609,0.9116664382153382,0.9422118086491672
EOS-2-46142,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cc5OC(F)F)n34)c(F)c2)n[nH]1,INWSTGXUJRPUDB-UHFFFAOYSA-N,2,1,0.317,96,558,502.46,5.287,6,0.32,0.66,0.966,0.5345932424097046,0.6787831539990405,0.9288002878486739,0.9012918922623535,0.760867144129943
EOS-2-46143,Cn1c(-c2cc3ccncc3nn2)ccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)cc3)n12,QTVUMCGATZHHRJ-UHFFFAOYSA-N,2,1,0.384,19,138,502.46,4.733,6,0.336,0.57,0.686,0.5243043657048866,0.4893427455280652,0.9403656363511754,0.8892553628949352,0.7108170276197656
EOS-2-46144,Fc1ccc(-n2nnc(-c3cncc(-c4cncc5nnc(-c6ccc(-c7cnco7)cc6)n45)c3)n2)cc1,WLOVQUQFUZQEMF-UHFFFAOYSA-N,2,1,0.318,41,30,502.473,4.29,7,0.339,0.62,1.0,0.10664108011788088,0.22035844013432937,0.5013621410458502,0.5439140566102392,0.3430689294770749
EOS-2-46145,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cnnc7cnc(F)cc67)nc5)n34)nc2)cn1,GTPNHLFAIJSEAZ-UHFFFAOYSA-N,2,1,0.258,86,967,502.477,3.188,7,0.33,0.61,1.0,0.1090055513672812,0.2560311150709341,0.3383763964087451,0.3520749091905969,0.26387199300938935
EOS-2-46146,Fc1ccc(-c2nnc(-n3nc(-c4ccccc4F)cc3-c3ccc(OC(F)(F)F)cc3)o2)cc1,DTPWYMWMGUSTLH-UHFFFAOYSA-N,2,0,0.243,83,148,484.384,6.433,5,0.269,0.86,0.96,0.2414587759577822,0.11848913713933247,0.9935919402371325,0.9910646974162155,0.5861511376876156
EOS-2-46147,CC(=O)N=c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cccnn6)nc5)n34)cc2)n[nH]1,BXYARTKIWCUOKD-UHFFFAOYSA-N,2,1,0.378,81,722,502.498,3.273,6,0.375,0.51,0.998,0.5269087108491536,0.3180727845932424,0.24694160784044958,0.14909875950928655,0.31025546569803303
EOS-2-46148,O=C(c1ccccc1)c1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nn4)n23)c1,UNHCRSFXEDHFTP-UHFFFAOYSA-N,2,1,0.483,17,897,502.509,5.197,6,0.277,0.84,1.0,0.8060876567747242,0.6114042903159482,0.7542663285587006,0.7481495442395998,0.7299769549722432
EOS-2-46149,Cn1cc(-c2ccc(-c3cncc4nnc(-c5scnc5-c5cccc(OC(F)F)c5)n34)nc2)cn1,DCORRYIOQZKLGF-UHFFFAOYSA-N,2,1,0.37,32,714,502.51,4.979,6,0.317,0.64,1.0,0.24687307244191625,0.39016345692550203,0.7112175313549448,0.679699814954424,0.5069884689191968
EOS-2-46150,Cn1cnnc1-c1ccc(F)c(-c2cc(-c3nnc4cncc(OCc5csc(F)c5)n34)ccn2)c1,SOCZIHYMGLHAEU-UHFFFAOYSA-N,2,1,0.489,97,247,502.51,4.568,6,0.329,0.68,1.0,0.7218662189020629,0.635083270509218,0.6823469947227743,0.6563292440545542,0.6739064320471524
EOS-2-46151,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccc(F)cc6F)ns5)n34)cc2)cn1,NJICHDRQWKPCEO-UHFFFAOYSA-N,2,1,0.489,40,857,502.51,4.568,6,0.329,0.64,1.0,0.5087639640874512,0.6934582962099924,0.5562504283462408,0.5792868891782605,0.5844398944554863
EOS-2-46152,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nccs6)cn5)n34)cc2)cn1,BCEYTZHCWLYLIP-UHFFFAOYSA-N,2,1,0.557,40,25,502.51,5.147,6,0.298,0.64,1.0,0.42928860256322393,0.5215286820642862,0.7371667466246317,0.6365225138784182,0.5811266362826399
EOS-2-46153,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncc(F)s6)cc5F)n34)cc2)n[nH]1,BUICBXUMZQQURF-UHFFFAOYSA-N,2,1,0.489,77,611,502.51,4.866,6,0.346,0.7,1.0,0.7490833390446165,0.654710095264204,0.6281697621821671,0.5759629223493935,0.6519815297100953
EOS-2-46154,FC(F)CN=c1[nH]nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)o1,YBZNQTWGOGDVPV-UHFFFAOYSA-N,2,1,0.289,69,898,502.51,4.731,6,0.353,0.4,0.997,0.11151566033856487,0.11234665204578165,0.6134517853471317,0.5632924405455417,0.350151634569255
EOS-2-46155,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5OC(F)F)n34)cc2)cs1,YTSDVSGJOOFWBC-UHFFFAOYSA-N,2,1,0.344,9,834,502.51,5.277,6,0.33,0.71,0.999,0.3754283462408334,0.4321156877527243,0.7774055924885204,0.7024878349667604,0.5718593653622096
EOS-2-46156,O=c1nc(-c2csc(-c3ccccc3)n2)[nH]n2nnc(-c3ccc(-c4ccc(F)c(F)c4)cc3)c12,KOFGIMHKLQDANV-UHFFFAOYSA-N,2,0,0.183,21,107,484.491,5.215,6,0.371,0.54,0.049,0.21128606675347816,0.12182167089301624,0.6986070180248098,0.8031406346377904,0.4587138475772736
EOS-2-46157,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccccc6)cc5)c4n3)cc2)cc1,TZVNCAHCGZUGLF-UHFFFAOYSA-N,2,0,0.312,21,452,484.534,7.139,6,0.251,0.83,0.975,0.38693372626961825,0.15478719758755397,0.9516568432595436,0.9501661983414433,0.6108859913645397
EOS-2-46158,c1cncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6nnc(-c7cccnc7)s6)n5)n34)cc2)c1,WSDBETKWUXQLIZ-UHFFFAOYSA-N,2,1,0.268,38,465,502.527,3.41,7,0.344,0.62,1.0,0.009706325817284627,0.061476252484408196,0.040838530601055446,0.08774244397231169,0.049940888218764995
EOS-2-46159,c1cc(-c2cncs2)nc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)n1,HCUFUWQBAJHSRG-UHFFFAOYSA-N,2,1,0.267,42,136,502.527,3.614,7,0.37,0.55,1.0,0.11152422726338154,0.17482523473373998,0.09526420396134604,0.11736686998834898,0.12474513398670414
EOS-2-46160,Cn1nc(-c2ccccc2)c(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c1C=O,NFVXNPGPYUDYRM-UHFFFAOYSA-N,2,1,0.479,28,363,502.538,4.083,6,0.286,0.51,1.0,0.29262045096292233,0.11235521897059832,0.14898738948666987,0.16231752450140496,0.1790701459803989
EOS-2-46161,CC(C)(c1ccc2c(c1)OCO2)n1ncnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,DJLJUFMISPMOQY-UHFFFAOYSA-N,2,1,0.339,9,787,502.538,4.624,7,0.336,0.69,0.996,0.1860479062435748,0.17483380165855664,0.5494482900418066,0.40288534027825373,0.32830383455554796
EOS-2-46162,COCCOc1nccc(COc2cncc3nnc(-c4ccc(-c5nc(C)nn5C(C)C)nc4)n23)n1,BTTUCKUSKSOHBH-UHFFFAOYSA-N,2,1,0.378,92,986,502.539,2.728,5,0.26,0.57,0.966,0.23309745733671441,0.07995510931396066,0.017313755054485642,0.0032639983551504353,0.08340758001507778
EOS-2-46163,FC(F)n1nccc1-c1ccc(Oc2ccccc2-c2cc3ccncc3nn2)cc1,SYJBIGGEXDEBNF-UHFFFAOYSA-N,2,0,0.22,79,574,415.403,5.743,5,0.366,0.78,0.939,0.2165204578164622,0.0868086491672949,0.9543468576519772,0.914973271194572,0.5431623089575766
EOS-2-46164,c1cc(-c2cncc(CCOc3cncc4nnc(-c5ccc(-c6c[nH]c(C7CC7)n6)cn5)n34)n2)ccn1,GMZWWFGBPSHXRF-UHFFFAOYSA-N,2,1,0.373,18,720,502.542,3.927,7,0.329,0.57,0.841,0.3384277979576451,0.2976663696799397,0.07675964635734357,0.11737543691316565,0.20755731272702352
EOS-2-46165,Fc1cc(Oc2ccccc2)ccc1-c1nnc2cncc(OCCc3ccc(-c4ccccc4)cc3)n12,DTYSHUDKKGIYGU-UHFFFAOYSA-N,2,1,0.692,17,403,502.549,7.011,6,0.224,0.73,1.0,0.9184257418956892,0.9489753957919266,0.9226920704543897,0.9170550339250223,0.926787060516757
EOS-2-46166,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)ccc1Oc1ccccc1,SQTLCBFLIYFXDA-UHFFFAOYSA-N,2,1,0.662,17,403,502.549,7.011,6,0.224,0.76,1.0,0.9662805839215955,0.9680025358097457,0.927815091494757,0.917063600849839,0.9447904530189843
EOS-2-46167,Fc1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Oc6ccccc6)cc5)n34)cc2)cc1,SKUZWCKCOZAHMR-UHFFFAOYSA-N,2,1,0.747,17,403,502.549,7.011,6,0.224,0.86,1.0,0.9892142416558152,0.9867726680830649,0.9368103625522582,0.9296741141799739,0.960617846617778
EOS-2-46168,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Oc6ccccc6)cc5)n34)cc2)cc1,XCKHNPHBGNPVPW-UHFFFAOYSA-N,2,1,0.747,17,403,502.549,7.011,6,0.224,0.85,1.0,0.9871324789253649,0.9867812350078816,0.9368189294770749,0.9296826811047906,0.960103831128778
EOS-2-46169,Fc1cc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)ccc1-c1ccccc1,GZKPIQVECRUBNP-UHFFFAOYSA-N,2,1,0.684,17,403,502.549,7.011,6,0.224,0.77,1.0,0.97498457953533,0.9701614008635461,0.9288088547734905,0.9192310328284559,0.9482964670002055
EOS-2-46170,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)cc5)n34)cc2)cc1,PVKWERQGPQIULB-UHFFFAOYSA-N,2,1,0.724,17,403,502.549,7.011,6,0.224,0.84,1.0,0.9804417106435473,0.9823521348776643,0.9368274964018916,0.9308049482557741,0.9576065725447194
EOS-2-46171,Cc1nnc2n1-c1ccc(-c3ccc(-c4nnc(C(F)(F)F)o4)cc3F)cc1CC2,NTWIUGZZVQCJOU-UHFFFAOYSA-N,2,0,0.187,66,574,415.35,4.549,5,0.45,0.83,1.0,0.10901411829209787,0.08681721609211157,0.8383078610102118,0.7783565211431704,0.4531239291343979
EOS-2-46172,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)cc23)cc1F,LNHHNPGKPCGCCF-UHFFFAOYSA-N,2,0,0.422,48,444,415.346,5.15,4,0.408,0.68,1.0,0.5827136591049277,0.4846395038037146,0.9972842848331163,0.9969587416900829,0.7653990473579604
EOS-2-46173,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)n1,JWHCXPZKHGUALQ-UHFFFAOYSA-N,2,1,0.658,15,889,397.442,3.208,5,0.438,0.76,1.0,0.6853454184086081,0.4846480707285313,0.334898224933178,0.27418442875745325,0.44476903570694265
EOS-2-46174,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(CCO)c5)n34)cc2)nc1,PAVYOAIDFYBYPH-UHFFFAOYSA-N,2,1,0.299,61,336,397.442,3.018,5,0.49,0.79,1.0,0.06808991844287575,0.05003084092934,0.3873963402097183,0.35208347611541363,0.21440014392433693
EOS-2-46175,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccccc4)n23)cc1,XYBHGLZILOUAOU-UHFFFAOYSA-N,2,1,0.635,43,520,397.442,3.649,5,0.435,0.72,1.0,0.5886419710780618,0.3663045713110822,0.31638510040435885,0.30466554725515727,0.393999297512165
EOS-2-46176,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2)c1,ITLOQQRNKLYSTP-UHFFFAOYSA-N,2,1,0.6,15,889,397.442,3.208,5,0.438,0.76,1.0,0.8392587896648619,0.5304211500239874,0.43473716674662466,0.3583887327804811,0.5407014598039888
EOS-2-46177,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)cn1,UPSANXYZAKKWDY-UHFFFAOYSA-N,2,1,0.675,15,519,397.442,3.208,5,0.438,0.81,1.0,0.6198512781851826,0.4583990130902611,0.40192584469878695,0.33283359605236107,0.45325243300664797
EOS-2-46178,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2)cn1,BXZHQMYYKAMGOV-UHFFFAOYSA-N,2,1,0.634,15,519,397.442,3.208,5,0.438,0.81,1.0,0.6546244260160373,0.42297477897333974,0.5157974093619354,0.42523644712494,0.5046582653690631
EOS-2-46179,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n(C)n1,LIAWWTFIDASTLC-UHFFFAOYSA-N,2,1,0.524,1,22,397.442,3.474,5,0.452,0.78,1.0,0.37778425056541703,0.2560396819957508,0.30888047426495785,0.25023130697005,0.29823392844904395
EOS-2-46180,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)c4)n23)cc1,GYMNXJJZXBRFRA-UHFFFAOYSA-N,2,1,0.564,43,250,397.442,3.474,5,0.452,0.78,1.0,0.6703275992049894,0.3420002056061956,0.4347457336714413,0.37482009457884996,0.4554734082653691
EOS-2-46181,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n(C)n1,WHWBWIFHVRCMBA-UHFFFAOYSA-N,2,1,0.447,1,700,397.442,3.474,5,0.452,0.79,1.0,0.25229593585086696,0.16243746144883833,0.2647608114591186,0.2416729490781989,0.23029178945925569
EOS-2-46182,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)c1,LLELKKNHMCVMSN-UHFFFAOYSA-N,2,1,0.667,84,56,397.442,3.208,5,0.438,0.82,1.0,0.7218747858268796,0.48465663765334793,0.34576965252552944,0.3012302104036735,0.4633828216023576
EOS-2-46183,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1,KDJAUBSEBNANGW-UHFFFAOYSA-N,2,1,0.658,15,796,397.442,3.208,5,0.438,0.8,1.0,0.7667654718662189,0.47153210883421287,0.37621650332396683,0.31409773147830855,0.4821529538756768
EOS-2-46184,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2)n1,SWYYMCXECSMZIV-UHFFFAOYSA-N,2,1,0.6,15,889,397.442,3.208,5,0.438,0.75,1.0,0.7096069494894113,0.467248646425879,0.41227468987732163,0.34235144952367896,0.4828704338290727
EOS-2-46185,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4)n23)nc1,SKXVSTYYMQIYCY-UHFFFAOYSA-N,2,1,0.55,89,519,397.442,3.474,5,0.452,0.79,1.0,0.3522633815365636,0.24104756356658213,0.5121307655404016,0.38414090877938456,0.372395654855733
EOS-2-46186,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2)cn1,OCZDOLVFJOXOIX-UHFFFAOYSA-N,2,1,0.654,4,519,397.442,3.649,5,0.435,0.78,1.0,0.26290178877390175,0.26121410458501815,0.387404907134535,0.30778390788842436,0.3048261770954698
EOS-2-46187,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)c4)n23)cc1,DSKWRDYKOPCGNV-UHFFFAOYSA-N,2,1,0.582,16,256,397.442,3.474,5,0.452,0.8,1.0,0.47116373106709614,0.24611061613323282,0.5884620656569118,0.4663234185456788,0.4430149578507299
EOS-2-46188,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,HDMVLFSMJOVJGP-UHFFFAOYSA-N,2,1,0.558,15,73,397.442,3.208,5,0.438,0.83,1.0,0.5162257556027688,0.32747926804194366,0.32365841957370983,0.304674114179974,0.3680093893495991
EOS-2-46189,CCOc1ccccc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,WKKFEKCGCIPDES-UHFFFAOYSA-N,2,1,0.455,61,642,397.442,3.653,5,0.45,0.78,1.0,0.21129463367829485,0.06920361866904257,0.372369954081283,0.3170704543896923,0.24248466520457818
EOS-2-46190,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccccc1,WRDDYQZWQSOHGF-UHFFFAOYSA-N,2,1,0.544,95,54,397.442,3.208,5,0.438,0.8,1.0,0.3914227948735522,0.12551401548900007,0.2506082516619834,0.262507710232335,0.25751319306421766
EOS-2-46191,CCOc1cccc(-c2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)cc4)n23)c1,UXTFHHSUUSWNLA-UHFFFAOYSA-N,2,1,0.352,61,697,397.442,3.951,5,0.483,0.8,1.0,0.28155198409978754,0.1789116578712905,0.4122832568021383,0.3294924953738606,0.3005598485367692
EOS-2-46192,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2)cn1,YSDKAGYWLQIYLG-UHFFFAOYSA-N,2,1,0.625,15,519,397.442,3.208,5,0.438,0.8,1.0,0.6670464670002056,0.45412411760674387,0.48428825988623125,0.40598656706188746,0.5028613528887671
EOS-2-46193,COc1ccc(-c2nnc3cncc(-c4c(C)nn(C)c4-c4ccccc4)n23)cn1,FJIADLXVSCYESL-UHFFFAOYSA-N,2,1,0.326,61,336,397.442,3.571,5,0.461,0.74,1.0,0.10165512987458022,0.08682578301692824,0.21162017682132822,0.1730604482215064,0.14329038448358578
EOS-2-46194,FCc1ncc(-c2cc(-c3cc(-c4nnc5cncc(OCc6ccsc6)n45)ccn3)cnn2)s1,VAOOWFOUEXUZRM-UHFFFAOYSA-N,2,1,0.453,6,183,502.56,4.877,6,0.304,0.65,1.0,0.419950654513056,0.36631313823589884,0.3088890411897745,0.2982232197930231,0.3483440134329381
EOS-2-46195,OCc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cc1,GGHTXLNMIHHRKX-UHFFFAOYSA-N,2,1,0.636,1,603,397.438,3.653,5,0.473,0.81,1.0,0.7606829552463847,0.4139623740662052,0.8317027619765609,0.7634586388869852,0.692451682544034
EOS-2-46196,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)s5)cc4)n23)cc1,XQPQVGPJDPUZOZ-UHFFFAOYSA-N,2,1,0.53,9,3,397.438,5.198,5,0.42,0.79,1.0,0.3892125282708519,0.5535090124049071,0.9410852580357755,0.9494722774312933,0.7083197690357069
EOS-2-46197,Cc1nnc(-c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)nn3CCO)cc2)o1,FTMPNLVWPLIRKP-UHFFFAOYSA-N,2,0,0.191,61,574,415.28,4.875,4,0.503,0.86,1.0,0.12254129257761634,0.03287129052155438,0.792423411692139,0.8118446302515249,0.4399201562607087
EOS-2-46198,c1ccn2c(-c3cncc4nnc(-c5ccc(-c6cnccn6)s5)n34)nnc2c1,QPRQBIFNEXZBNN-UHFFFAOYSA-N,2,1,0.264,86,272,397.427,3.02,6,0.452,0.72,1.0,0.047306558837639644,0.03287985744637105,0.08368172160921115,0.1542474813241039,0.07952890480433145
EOS-2-46199,Cc1cc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)c(F)c(C)n1,DTLCWQXGWZWIJM-UHFFFAOYSA-N,2,1,0.344,82,478,397.417,4.066,5,0.457,0.69,1.0,0.3004763210198067,0.3518521691453636,0.5694263587142759,0.5303954492495374,0.4380375745322459
EOS-2-46200,Fc1ccc(-c2ccc(COc3cncc4nnc(-c5ccccc5)n34)cn2)cc1,JMNNPJYOEFXNFL-UHFFFAOYSA-N,2,1,0.64,1,709,397.413,4.571,5,0.435,0.88,1.0,0.9505517099581934,0.8123929134397917,0.8414347885682956,0.8402268521691454,0.8611515660338565
EOS-2-46201,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,ZHYRSWYVEPBRNN-UHFFFAOYSA-N,2,1,0.671,1,951,397.413,4.571,5,0.435,0.9,1.0,0.9594955794667946,0.8914827633472688,0.8689603180042492,0.8628863683092317,0.895706257281886
EOS-2-46202,Fc1ccc(-c2cccnc2COc2cncc3nnc(-c4ccccc4)n23)cc1,FOEMKUUMLLCTST-UHFFFAOYSA-N,2,1,0.623,12,347,397.413,4.571,5,0.435,0.83,1.0,0.8367658145432115,0.8201374134740593,0.7968525118223563,0.8141834007264752,0.8169847851415255
EOS-2-46203,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,BBFRQGKAVYTVOR-UHFFFAOYSA-N,2,1,0.699,1,326,397.413,4.571,5,0.435,0.87,1.0,0.9662891508464122,0.8939500376944692,0.897693783839353,0.8933160852580357,0.9128122644095675
EOS-2-46204,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)cc1,BNEUNDIUDWSSSZ-UHFFFAOYSA-N,2,1,0.64,12,347,397.413,4.571,5,0.435,0.79,1.0,0.8809026111986841,0.8859742306901515,0.8414433554931122,0.8511411143855802,0.864865327941882
EOS-2-46205,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccc5)c4)n23)cc1,MFOMJEVQKPTAPN-UHFFFAOYSA-N,2,1,0.658,57,326,397.413,4.571,5,0.435,0.79,1.0,0.9692961414570626,0.8939586046192859,0.873115276540333,0.8779727229113837,0.9035856863820163
EOS-2-46206,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccc5)n34)c2)nc1,BAMROUHTIRWKJW-UHFFFAOYSA-N,2,1,0.595,79,709,397.413,4.571,5,0.435,0.81,1.0,0.8863768761565348,0.7540607223631005,0.8383164279350285,0.8360975944075115,0.8287129052155437
EOS-2-46208,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,AHUKXSZULXGALR-UHFFFAOYSA-N,2,1,0.63,12,650,397.413,4.571,5,0.407,0.84,1.0,0.9633678294839284,0.8417860324857789,0.8689688849290659,0.8613614556918648,0.8838710506476595
EOS-2-46209,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)nc4)n23)cc1,KOWPOMIJUWTKAK-UHFFFAOYSA-N,2,1,0.662,1,709,397.413,4.571,5,0.435,0.88,1.0,0.9791566719210473,0.9031423480227537,0.8414519224179289,0.8439363306147625,0.8919218182441231
EOS-2-46210,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)cc4)n23)cc1,XAUMFYRKGCYIRM-UHFFFAOYSA-N,2,1,0.746,1,326,397.413,4.571,5,0.435,0.84,1.0,0.9595041463916113,0.9268555959152902,0.9053183469261874,0.9000411212391201,0.9229298026180521
EOS-2-46211,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2)cc1,SAGVEPVVSANOHD-UHFFFAOYSA-N,2,1,0.768,12,23,397.413,4.571,5,0.435,0.83,1.0,0.8034233431567405,0.8696885066136659,0.8543280104173806,0.8561184977040641,0.8458895894729628
EOS-2-46212,Fc1cccc(-c2nnc3cncc(OCc4ccccc4-c4ccccn4)n23)c1,KVAUKJXTFZWQNW-UHFFFAOYSA-N,2,1,0.571,1,709,397.413,4.571,5,0.435,0.82,1.0,0.8642228085806319,0.834949626482078,0.8259971900486601,0.8320968405181276,0.8393166164073744
EOS-2-46213,OCc1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)cc4F)n23)cc1,KHQZNTZEPQWSQH-UHFFFAOYSA-N,2,1,0.365,62,3,397.413,4.152,5,0.493,0.87,1.0,0.40853951065725447,0.535150092522788,0.8858200260434514,0.8866081831265848,0.6790294530875197
EOS-2-46214,Fc1cccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)c4)n23)c1,FVOUJMVRIYVKHP-UHFFFAOYSA-N,2,1,0.582,1,326,397.413,4.571,5,0.435,0.82,1.0,0.8392673565896785,0.7540692892879172,0.8822818860941677,0.8836868617641012,0.8398263484339661
EOS-2-46215,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2)c1,OENHLSINGRIMMG-UHFFFAOYSA-N,2,1,0.761,12,347,397.413,4.571,5,0.435,0.83,1.0,0.72508738263313,0.820145980398876,0.8462579672400795,0.8511496813103968,0.8106602528956206
EOS-2-46216,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5)n34)cc2)cc1,GYPXDCDIPKWVQV-UHFFFAOYSA-N,2,1,0.706,57,326,397.413,4.571,5,0.435,0.85,1.0,0.9427301076005757,0.9118463436364882,0.9009235144952368,0.8962117058460695,0.9129279178945926
EOS-2-46217,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccncc5)n34)c2)cc1,KUVVDTNGFVKYKS-UHFFFAOYSA-N,2,1,0.635,57,326,397.413,4.571,5,0.435,0.85,1.0,0.8437906928928792,0.8047854842025907,0.8938986361455692,0.891893975738469,0.8585921972448771
EOS-2-46218,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,GKJQRYRPPHVIGG-UHFFFAOYSA-N,2,1,0.649,12,285,397.413,4.571,5,0.435,0.83,1.0,0.7782280172709204,0.8047940511274073,0.8383249948598451,0.8494362963470633,0.817695839901309
EOS-2-46219,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccccn5)n34)c2)cc1,LUIDQLOEJIOEDZ-UHFFFAOYSA-N,2,1,0.75,57,23,397.413,4.571,5,0.435,0.84,1.0,0.6576057158522377,0.7407220204235487,0.8446216846000959,0.8511582482352135,0.773526917277774
EOS-2-46220,COc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)c(F)c1,JGHPTSFDQYPCMF-UHFFFAOYSA-N,2,1,0.397,30,3,397.413,4.668,5,0.441,0.87,1.0,0.4862243848947982,0.6066068124186142,0.857360701802481,0.8341272016996779,0.6960797752038929
EOS-2-46221,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nc4)n23)c(F)c1,VCJGTQUUZVFMGB-UHFFFAOYSA-N,2,1,0.448,1,480,397.413,5.093,5,0.422,0.88,1.0,0.8749400315262833,0.8517493660475636,0.8430025358097457,0.8301692824343774,0.8499653039544924
EOS-2-46222,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccccc4)n23)cc1,HSXVZZUZTYXUMB-UHFFFAOYSA-N,2,1,0.623,1,709,397.413,4.571,5,0.435,0.82,1.0,0.9388321568089918,0.8610873140977314,0.8012987458022068,0.8141919676512919,0.8538525460900555
EOS-2-46223,OCc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5)nc4)n23)cc1,BVADVNQEOFFBEA-UHFFFAOYSA-N,2,1,0.397,83,3,397.413,4.152,5,0.493,0.92,1.0,0.3662189020629155,0.5535175793297238,0.9113151942978548,0.9081368651908711,0.6847971352203414
EOS-2-46224,Cc1ncc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)c4)n23)cn1,VJLXEIDFRKQEMV-UHFFFAOYSA-N,2,1,0.455,92,875,397.402,2.321,5,0.44,0.7,1.0,0.48623295181961484,0.2612226715098348,0.21467000205606196,0.16232609142622165,0.2811129292029333
EOS-2-46225,c1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cn4)n23)nc1,ZWIKBFOOLSBYRE-UHFFFAOYSA-N,2,1,0.438,18,113,397.402,2.055,5,0.424,0.67,1.0,0.4614659721746282,0.37597662942910015,0.08611472825714482,0.0790384483585772,0.25064894455486264
EOS-2-46226,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccnc5)n34)ncn2)cn1,UFPLDWHJUQLZMO-UHFFFAOYSA-N,2,1,0.466,7,296,397.402,2.321,5,0.44,0.76,0.996,0.4313960660681242,0.15479576451237065,0.15823110136385443,0.1219673086148996,0.2165975601398122
EOS-2-46227,C=CCOc1cncc2nnc(-c3ccc(-c4cnn(-c5ccccn5)n4)nc3)n12,QPGVZEOWCCQPMY-UHFFFAOYSA-N,2,1,0.411,92,981,397.402,2.394,5,0.402,0.69,1.0,0.4040333082036872,0.3469775889246796,0.06613665958467549,0.048694400657939826,0.21646048934274556
EOS-2-46228,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)n1,ZFXQYONTYVLJKO-UHFFFAOYSA-N,2,1,0.427,7,535,397.402,2.321,5,0.44,0.61,1.0,0.4569854704955109,0.3568038516893976,0.1458090603796861,0.10791755191556439,0.26687898362003976
EOS-2-46229,c1cnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nc1,XRTUAPUKXXLPGR-UHFFFAOYSA-N,2,1,0.417,54,411,397.402,2.055,5,0.424,0.68,1.0,0.44521451579740934,0.3710078130354328,0.060045576040024674,0.06588821876499212,0.2355390309094647
EOS-2-46230,Cc1cncc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)n1,YOKVFJYHXLMZDX-UHFFFAOYSA-N,2,1,0.409,7,720,397.402,2.321,5,0.44,0.69,1.0,0.3260828592968268,0.17484236858337332,0.14002638612843535,0.10792611884038106,0.18721943321225412
EOS-2-46231,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cnccn5)n34)c2)cn1,XVEFERCEOMIJBF-UHFFFAOYSA-N,2,1,0.404,7,535,397.402,2.321,5,0.44,0.68,1.0,0.32095983825645946,0.20551195942704406,0.18059934206017408,0.12427181139058324,0.20783573778356518
EOS-2-46232,c1cncc(-c2cncc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)c1,SCIBICBWZCRYRP-UHFFFAOYSA-N,2,1,0.472,87,349,397.402,2.055,5,0.424,0.71,1.0,0.4887516277157152,0.4090877938455212,0.154915701459804,0.17857754780344048,0.30783316770612024
EOS-2-46233,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nn4)n23)n1,KUVKZDMRJCEDJZ-UHFFFAOYSA-N,2,1,0.416,53,670,397.402,2.321,5,0.44,0.72,1.0,0.3479028168048797,0.2307072853128641,0.14899595641148652,0.11738400383798232,0.2112475155918032
EOS-2-46234,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cn1,YYPVCPISOOHNGI-UHFFFAOYSA-N,2,1,0.475,56,412,397.398,3.444,5,0.445,0.77,1.0,0.5886505380028785,0.4185285449934891,0.5593088205057912,0.4094304708381879,0.4939795935850867
EOS-2-46235,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc([N+](=O)[O-])cc5)n34)c2)cn1,OWSNBDPPSGSIMD-UHFFFAOYSA-N,2,1,0.453,96,558,397.398,3.767,5,0.338,0.66,1.0,0.07390686039339318,0.007770200808717703,0.5292217805496539,0.3201031457747927,0.23275049688163937
EOS-2-46236,O=C(O)c1ccccc1Oc1nc(OCc2c(F)cccc2Cl)c(F)c(Oc2ccccc2)n1,AITAIVWNFBRTMV-UHFFFAOYSA-N,2,0,0.209,79,590,484.842,6.27,4,0.315,0.86,1.0,0.10664964704269755,6.853539853334247e-05,0.9187084504146391,0.805290932766774,0.45767939140566105
EOS-2-46237,FC(F)n1cncc1-c1cncc(-c2nnc3cncc(CC4CCOC4)n23)c1,JCERQHQMYOEFRM-UHFFFAOYSA-N,2,1,0.367,78,455,397.389,3.024,5,0.515,0.46,0.971,0.11459975327256527,0.17485093550818998,0.3837296963881845,0.5202093756425193,0.29834744020286474
EOS-2-46238,O=C(c1conc1-c1cncc(Cl)c1)N1CCCc2cc(-c3ccc(-c4nnco4)cc3)cnc21,ZCPFADUHEPYAMI-UHFFFAOYSA-N,2,0,0.2,62,376,484.903,5.095,6,0.346,0.65,0.997,0.07599719004866014,0.009106641080117881,0.11083030635323145,0.23575320402988142,0.10792183537797273
EOS-2-46239,Cn1nc(-c2cncnc2)c(F)c1-c1cncc2nnc(-c3ccc(C#N)cc3)n12,BZQLSMLTJKUIID-UHFFFAOYSA-N,2,1,0.472,50,333,397.377,2.66,5,0.46,0.69,1.0,0.1890034953053252,0.34698615584949627,0.48085292303474747,0.5339078884243712,0.387687615653485
EOS-2-46240,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4)n23)n1,BBUNULJIYRHLCJ-UHFFFAOYSA-N,2,1,0.442,36,464,397.362,1.212,5,0.457,0.67,1.0,0.46404461654444523,0.4584075800150778,0.13355835789185114,0.12197587553971627,0.2944966074977726
EOS-2-46241,N#Cc1cc(-c2nnc3cncc(OCc4ccnnc4)n23)ccc1-c1ncon1,NTBLPQFWYUKUQH-UHFFFAOYSA-N,2,1,0.488,16,256,397.358,2.082,5,0.433,0.63,1.0,0.654632992940854,0.4630165855664451,0.3909858817079021,0.3361661298060448,0.4612003975053115
EOS-2-46242,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cn1,DOERTJFPYZCNDL-UHFFFAOYSA-N,2,1,0.575,55,879,397.358,2.082,5,0.433,0.75,1.0,0.557535467068741,0.46302515249126175,0.2908042629017888,0.2357617709546981,0.38678166335412245
EOS-2-46243,N#Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5nnco5)c4)n23)cc1,GPRGZSLCMKSIDP-UHFFFAOYSA-N,2,1,0.543,72,226,397.358,2.082,5,0.433,0.76,1.0,0.7977948735521897,0.6494757042012199,0.3311373449386608,0.32011171269960936,0.5246299088479199
EOS-2-46244,COc1ccc(-c2ccc(-c3nnc4cncc(OCC=C(F)F)n34)nn2)cn1,HJPGELZBFKQQKP-UHFFFAOYSA-N,2,1,0.405,68,44,397.345,2.811,4,0.49,0.63,0.999,0.7124340346789116,0.567618737577959,0.45977828798574466,0.29507059146048936,0.5087254129257761
EOS-2-46247,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cnco5)n4)n23)cc1F,OFTMHLFGDKLYDK-UHFFFAOYSA-N,2,1,0.531,73,756,397.301,2.686,5,0.441,0.71,1.0,0.8164022342539922,0.7219775889246796,0.38741347405935167,0.4252450140497567,0.5877595778219451
EOS-2-46248,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nc1-c1ccc(Cl)nc1,SSMDBZZBADIKAU-UHFFFAOYSA-N,2,1,0.506,73,446,502.724,5.322,5,0.3,0.64,1.0,0.8007590295387568,0.9456514289630594,0.8414604893427455,0.9136625316976218,0.8753833698855459
EOS-2-46249,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)nc4)n23)c(Cl)cc1Cl,PADDQNHTHVKGSX-UHFFFAOYSA-N,2,1,0.488,73,665,502.724,5.322,5,0.3,0.76,1.0,0.8709135768624494,0.9286118155027071,0.8891868274964019,0.9265900212459736,0.9038255602768829
EOS-2-46250,Fc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1Cl,HGARBBLKVGEPEE-UHFFFAOYSA-N,2,1,0.477,73,756,502.724,5.322,5,0.3,0.67,1.0,0.8789493523404839,0.9232232197930231,0.8414690562675622,0.9126687684188883,0.8890775992049893
EOS-2-46251,Fc1cnc(COc2cncc3nnc(-c4cc(Cl)ccc4Cl)n23)cc1-c1ccc(Cl)nn1,CTUAHYAMZYOWFI-UHFFFAOYSA-N,2,1,0.489,34,712,502.724,5.322,5,0.321,0.6,0.997,0.6368823247207183,0.7838736207251045,0.8977023507641697,0.9418134466451923,0.8150679357137961
EOS-2-46252,Fc1cc(Cl)c(Cl)cc1-c1nnc2cncc(OCc3cc(-c4cccnn4)cnc3Cl)n12,YSPQPPHZORPPSU-UHFFFAOYSA-N,2,1,0.451,59,607,502.724,5.322,5,0.237,0.67,0.751,0.7606915221712014,0.911854910561305,0.932715372489891,0.9566427935028442,0.8904761496813104
EOS-2-46253,COc1cc(-c2cnc(Cl)nn2)ccc1-c1cncc2nnc(-c3cc(Cl)c(F)cc3Cl)n12,CFLRJEMAAFBJRG-UHFFFAOYSA-N,2,1,0.326,45,102,502.724,5.418,5,0.303,0.65,1.0,0.5370176821328216,0.6252998423685834,0.92443972311699,0.9410595572613255,0.7569542012199302
EOS-2-46254,CCCCc1nc(CO)c(Cl)n1Cc1ccc(-c2ccc(F)cc2-c2ccc(Cl)nn2)cc1,APBRVCIMPHOTBV-UHFFFAOYSA-N,2,0,0.195,0,574,485.39,6.336,4,0.317,0.78,1.0,0.08243095058597766,0.017039613460352272,0.687718456582825,0.8052994996915908,0.39812213008018643
EOS-2-46255,COc1cc(-c2nnc3cncc(OCc4ncnn4-c4ccc(Cl)c(Cl)c4)n23)ccc1Cl,OZVVGBYHZUXSSD-UHFFFAOYSA-N,2,1,0.473,34,612,502.749,4.92,5,0.325,0.72,0.999,0.6254283462408334,0.7266551298745803,0.7945051744225893,0.847508738263313,0.748524347200329
EOS-2-46256,N#Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1Cl,NTIOCURVAVEMRV-UHFFFAOYSA-N,2,1,0.618,90,708,397.225,3.944,4,0.518,0.76,1.0,0.8190922486464258,0.937667055033925,0.9140137756151052,0.9384723459666918,0.9023113563155369
EOS-2-46257,Oc1cccc(-c2cncc(-c3nnc4ccc(-c5cccc(C(F)F)c5)cn34)c2)c1,OMSMEQFKAPQZEV-UHFFFAOYSA-N,2,0,0.286,83,528,414.415,5.769,5,0.406,0.8,1.0,0.17741244602837367,0.16622404221780548,0.9842368583373312,0.9796364197107806,0.5768774415735728
EOS-2-46258,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(F)cc4)cc23)n1,SAQVQWZKWNNVBR-UHFFFAOYSA-N,2,0,0.22,61,574,414.404,2.995,5,0.432,0.64,1.0,0.2815605510246042,0.162446028373655,0.37237852100609964,0.3715646631485162,0.2969874408882187
EOS-2-46259,COc1ncc(-c2nc(-n3ncc4cnc(-c5ccc(C)nn5)cc43)ccc2F)cn1,HFCIEXUMRNKRBT-UHFFFAOYSA-N,2,0,0.181,50,155,414.404,3.186,5,0.442,0.71,1.0,0.03562127338770475,0.02041498183811939,0.2981546843944898,0.18962031389212528,0.1359528133781098
EOS-2-46260,Cc1sc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)c(Cl)c4)ccn3)n12,SJKZPBSUJRZOHH-UHFFFAOYSA-N,2,1,0.455,59,153,502.814,6.762,5,0.265,0.78,1.0,0.6794085395106573,0.717479953395929,0.9206874100472894,0.9487697895963265,0.8165864231375506
EOS-2-46261,Fc1cnc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nc1-c1ccc(Cl)nn1,RIPXZCOYCVEGRD-UHFFFAOYSA-N,2,1,0.489,27,51,502.819,4.429,5,0.325,0.72,0.923,0.9639589472962785,0.9580991707216777,0.9311990267973408,0.9059694332122541,0.9398066445068878
EOS-2-46262,Fc1cc(-c2cnc(C(F)(F)F)nc2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,WPQQWWDXGPYCHK-UHFFFAOYSA-N,2,1,0.448,51,196,502.819,4.429,5,0.325,0.65,1.0,0.9275752175998904,0.9510657254471935,0.9093276677403879,0.84944486327188,0.9093533685148378
EOS-2-46263,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)nc2C(F)F)cn1,FQBYPIHOKWHRRK-UHFFFAOYSA-N,2,1,0.388,46,526,502.819,4.487,5,0.247,0.62,0.688,0.7339627167431979,0.8240953327393599,0.8782297306558837,0.8561270646288808,0.8231037111918306
EOS-2-46264,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cnc(C(F)(F)F)nc1,SNZWSPPUOQQKGV-UHFFFAOYSA-N,2,1,0.542,73,756,502.819,4.429,5,0.325,0.7,1.0,0.9693047083818792,0.9806044822150641,0.870382427523816,0.8163422657802755,0.9091584709752587
EOS-2-46265,Fc1cnc(-c2nc(-c3ccc(-c4nnc5cncc(OCc6ccnc(Cl)c6)n45)cn3)no2)nc1,AITVIPRYAGFJDF-UHFFFAOYSA-N,2,1,0.447,80,34,502.857,3.46,6,0.309,0.66,1.0,0.6883952436433418,0.6886865190871085,0.24336920019189912,0.295079158385306,0.47888253032691386
EOS-2-46266,Cn1nc(-c2ccc(F)cc2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1C(F)(F)F,IMYCXWDFEKGZRO-UHFFFAOYSA-N,2,1,0.632,34,372,502.859,5.582,5,0.293,0.72,1.0,0.8271194571996436,0.919488040572956,0.9710951956685628,0.9632821602357617,0.9202462134192311
EOS-2-46267,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(CC(F)(F)F)c5)cc4)n23)ccc1Cl,DNINETJTAVAGSS-UHFFFAOYSA-N,2,1,0.688,43,96,502.859,5.589,5,0.283,0.69,1.0,0.8508241381673635,0.8781183606332671,0.9889315331368652,0.9824463710506477,0.925080100747036
EOS-2-46268,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnc(Cl)c(F)c6)c(F)c5)n34)c2)o1,QVQYHSYRQRNKJD-UHFFFAOYSA-N,2,1,0.333,42,287,502.872,5.205,6,0.302,0.62,1.0,0.3637516277157152,0.48935131245288194,0.8299808100884106,0.8475173051881296,0.6326502638612843
EOS-2-46269,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)c(Cl)c4)n23)cnc1F,DKPBZDJOKBJFJL-UHFFFAOYSA-N,2,1,0.454,97,89,502.872,4.702,6,0.312,0.63,1.0,0.9263158796518401,0.9176547186621891,0.8744774175861832,0.8836954286889178,0.9005358611472825
EOS-2-46270,O=C(O)c1cc(-c2cccc(-n3ccc(-c4cccc(OC(F)(F)F)c4)cc3=O)c2)ccc1Cl,RRWFSKTVIWVDSL-UHFFFAOYSA-N,2,0,0.231,79,148,485.845,6.422,4,0.354,0.86,1.0,0.2113032006031115,0.09299396888492907,0.9987492289767665,0.9981495442395998,0.5752989856761017
EOS-2-46271,FC(F)n1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)c2)n1,HJXYHKKBQLFDGV-UHFFFAOYSA-N,2,1,0.329,25,598,502.876,4.617,6,0.335,0.75,1.0,0.1833321910766911,0.35186073607018026,0.5528322253443904,0.6033342471386471,0.42283984990747725
EOS-2-46272,Fc1ccc(-c2ncc(F)cc2Cn2nnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nc1,OYZJHCZBBJYKPQ-UHFFFAOYSA-N,2,1,0.357,10,221,502.876,3.882,6,0.349,0.68,1.0,0.34558118017956274,0.5585806318963745,0.3647025563703653,0.5883935302583785,0.46431447467617026
EOS-2-46273,FC(F)c1ccc(-c2nnc3cncc(-c4cn(-c5ccnc(-c6cccc(Cl)c6)n5)nn4)n23)cn1,SDRAWPZYGFRUCO-UHFFFAOYSA-N,2,1,0.348,10,705,502.876,4.482,6,0.339,0.76,0.956,0.01189089164553492,0.23071585223768076,0.6372421355630183,0.6856623946268248,0.3913778185182647
EOS-2-46274,Cc1nnc(-c2cccc(Cn3nc(-c4n[nH]c(C(F)(F)F)n4)cc3-c3ccccc3Cl)c2)o1,XPZUOUWRVKDQNF-UHFFFAOYSA-N,2,0,0.214,19,574,485.857,5.414,5,0.357,0.74,0.989,0.09186313480912892,0.06557980947159207,0.8573692687272977,0.782777054348571,0.4493973168391474
EOS-2-46275,COc1cc(-c2nnc3cncc(OCc4nnn(-c5ccccc5Cl)n4)n23)ccc1-c1nnco1,LFKKFOJLZFAOFS-UHFFFAOYSA-N,2,1,0.404,71,288,502.882,3.058,6,0.317,0.61,1.0,0.40404187512850387,0.4496264820779933,0.13684805702145159,0.1596532108834213,0.2875424062778425
EOS-2-46276,Fc1ccc(-c2nn3cc(-c4nnc(-c5ccccc5)o4)nc3cc2-c2ccc(Cl)c(F)c2)cc1,FQDMPUVIQLLHLE-UHFFFAOYSA-N,2,0,0.235,83,950,485.881,6.712,6,0.277,0.73,0.999,0.21652902474127886,0.1431447467617024,0.9376070865602083,0.9572339113151943,0.563628692344596
EOS-2-46277,Fc1cc(-c2ccc(-c3cn(C(F)F)nn3)nn2)ccc1-c1nnc(-c2ccc(Cl)cc2)s1,XXRUZEUSZJYPBN-UHFFFAOYSA-N,2,0,0.208,3,574,485.882,5.775,5,0.314,0.8,0.989,0.04453944212185594,0.03884243711877185,0.8858285929682681,0.8905404016174354,0.4649377184565828
EOS-2-46278,Cc1nc(-c2cnc(-c3cn(C)nn3)o2)cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)n1,IFWDLYKXAKZWRY-UHFFFAOYSA-N,2,1,0.333,7,330,502.886,2.363,6,0.327,0.6,1.0,0.2708604619285861,0.29767493660475636,0.03401925844698787,0.034027825371804536,0.1591456205880337
EOS-2-46279,Cc1ccc(-c2cc3c(-c4nnc5cncc(OCCc6nn(F)cc6Cl)n45)cncc3nn2)cn1,SWIGJIDFMNYCOQ-UHFFFAOYSA-N,2,1,0.415,87,838,502.901,3.704,6,0.335,0.54,1.0,0.5688009732026592,0.6886950860119252,0.3236669864985265,0.3908745116852855,0.4930093893495991
EOS-2-46280,Cn1nc(-c2ccc(Cl)c(F)c2)cc1-c1nnc2cncc(OCc3nnnn3-c3ccccc3)n12,AEIMFBIBTFBXJC-UHFFFAOYSA-N,2,1,0.386,19,807,502.901,3.539,6,0.34,0.66,1.0,0.31369508601192514,0.5121478993900349,0.27216263450071965,0.4028939072030704,0.3752248817764375
EOS-2-46281,Cn1cncc1-c1nc(COc2cncc3nnc(-c4ccc(-c5n[nH]c(Cl)n5)cc4)n23)ccc1F,GZTVEIKZZBQOPU-UHFFFAOYSA-N,2,1,0.463,56,425,502.901,3.743,6,0.365,0.64,1.0,0.673120416695223,0.6547186621890206,0.4161469398944555,0.40290247412788704,0.5367221232266466
EOS-2-46282,COc1nc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(Cl)c5)n4)n23)ccc1-n1cnc(C)c1,JYHZUHBAMBGPKN-UHFFFAOYSA-N,2,1,0.289,10,871,502.901,3.729,6,0.35,0.63,0.001,0.15570385854293742,0.2612312384346515,0.36471112329518196,0.3651566033856487,0.2867007059146049
EOS-2-46283,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nnn(-c5ccc(F)cc5)n4)n23)c(Cl)c1,BQUQKDNRGMOSCG-UHFFFAOYSA-N,2,1,0.417,34,288,502.901,3.539,6,0.34,0.6,1.0,0.3361404290315948,0.47608971283668017,0.3874220409841683,0.47547289424988004,0.41878126927558085
EOS-2-46284,Cn1ccc(-c2nn(C)cc2-c2cncc3nnc(-c4ccc(Cl)c(-c5ccc(F)cc5F)c4)n23)n1,ABQSPCKGEJBNAD-UHFFFAOYSA-N,2,1,0.377,45,46,502.916,5.191,6,0.331,0.68,1.0,0.21935610993077925,0.5167826057158522,0.847791446782263,0.8794205332054006,0.6158376739085738
EOS-2-46285,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nncn6C)nn5C)n34)c(Cl)c2)nn1,DMZSWNLSVKHXGU-UHFFFAOYSA-N,2,1,0.353,36,292,502.93,3.044,6,0.337,0.62,1.0,0.29810328284558973,0.44963504900280993,0.05451134260845727,0.06589678568980879,0.21703661503666644
EOS-2-46286,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)c(Cl)c6)s5)n34)cc2)cc1,AOAVZBNMOTWVSH-UHFFFAOYSA-N,2,1,0.403,83,950,502.937,6.575,6,0.272,0.74,1.0,0.3162051949832088,0.6690425604824892,0.9113237612226716,0.9532845589747104,0.71246401891577
EOS-2-46287,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccc(Cl)nc6)no5)n34)nc2)cs1,HGNWZXDFFAFUGT-UHFFFAOYSA-N,2,1,0.446,6,414,502.947,4.901,6,0.293,0.73,0.949,0.5087725310122678,0.5721506408059763,0.36833493249263244,0.3487338085120965,0.4494979782057433
EOS-2-46288,COc1cc(-c2sncc2Cl)ccc1-c1cncc2nnc(-c3ccc(-c4noc(C)n4)cn3)n12,RLNYUFZNMSSDTK-UHFFFAOYSA-N,2,1,0.295,42,106,502.947,4.997,6,0.321,0.59,0.999,0.4763895552052635,0.4451802480981427,0.3200774450003427,0.3141062984031252,0.38893838667671854
EOS-2-46289,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ncc(-c4nc(C)cs4)cc3Cl)n12,KDJKCVYPMDMMSE-UHFFFAOYSA-N,2,1,0.273,32,693,502.947,4.997,6,0.321,0.67,0.203,0.41535878281132205,0.4185371119183058,0.3163936673291755,0.2982317867178398,0.36213033719416077
EOS-2-46290,Clc1ccc(-c2nc(CCOc3cncc4nnc(-c5ccc(-c6nnco6)cn5)n34)cs2)cc1,IZPJFSAUYHUHIY-UHFFFAOYSA-N,2,1,0.436,81,218,502.947,4.635,6,0.307,0.71,1.0,0.5214772805153862,0.6444811870331026,0.25757316153793436,0.3230844356109931,0.43665401617435406
EOS-2-46291,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)c(Cl)c2)o1,PJRVACQPKWICJY-UHFFFAOYSA-N,2,1,0.467,81,820,502.947,4.901,6,0.313,0.64,1.0,0.579766636967994,0.6208621753135495,0.3383849633335618,0.3550219313275307,0.473508926735659
EOS-2-46292,COc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5nnc(C)o5)cc4Cl)n23)s1,LEGLYOOHHALMRC-UHFFFAOYSA-N,2,1,0.33,76,272,502.947,4.997,6,0.321,0.58,1.0,0.4292971694880406,0.4367246933040916,0.23276334726886436,0.24736995408128298,0.3365387910355699
EOS-2-46293,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nnc(C)s4)cc3Cl)n12,UNMGBTRAGZNLRK-UHFFFAOYSA-N,2,1,0.34,3,340,502.947,4.997,6,0.321,0.7,1.0,0.4812127338770475,0.5167911726406689,0.40553252004660406,0.38738777328490165,0.4477310499623055
EOS-2-46294,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nnnn5-c5cccc(Cl)c5)n34)cc2)s1,COMWXICKBVCCAN-UHFFFAOYSA-N,2,1,0.433,67,807,502.951,3.826,6,0.334,0.72,1.0,0.43597937084504146,0.582807895277911,0.10290590089781372,0.18140463299294085,0.32577445000342675
EOS-2-46295,COc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnnn6C)ccc5Cl)n34)cc2)s1,ROFLRCDMSBYVBP-UHFFFAOYSA-N,2,1,0.344,25,508,502.951,3.829,6,0.346,0.71,1.0,0.37073367144129943,0.5121564663148516,0.15492426838462064,0.20366150366664382,0.3103689774518539
EOS-2-46296,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ncc(Cl)cn5)ns4)n23)cc1,ZRSMIHCIPHPUDE-UHFFFAOYSA-N,2,1,0.466,56,8,502.951,3.733,6,0.335,0.6,1.0,0.4936090740867658,0.5774878349667604,0.06614522650949216,0.09944486327187993,0.3091717497087245
EOS-2-46297,Cc1cnc(-c2cn(-c3ccc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)nn3)nn2)s1,ARRMAXVAKJGZGU-UHFFFAOYSA-N,2,1,0.516,71,32,502.951,3.826,6,0.334,0.61,0.989,0.39143136179836885,0.5630268658762251,0.1194914673428826,0.17858611472825714,0.3131339524364334
EOS-2-46298,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)s5)n34)nc2)cn1,UJOGEVPASNBFGZ-UHFFFAOYSA-N,2,1,0.351,6,549,502.951,3.733,6,0.335,0.68,1.0,0.31621376190802547,0.30773250633952437,0.2009286546501268,0.2036700705914605,0.25713624837228427
EOS-2-46299,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)c3n2)cc1,BERNECVRTSZELZ-UHFFFAOYSA-N,2,0,0.295,57,603,413.868,5.11,5,0.4,0.9,1.0,0.16924816667808923,0.12888081694195053,0.8703909944486328,0.8724641902542664,0.5102460420807348
EOS-2-46300,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5F)n34)c(Cl)c2)o1,YLXAFTUOAFXMQT-UHFFFAOYSA-N,2,1,0.317,69,192,502.962,6.646,6,0.268,0.67,1.0,0.34087793845521214,0.5828164622027278,0.8279675827564937,0.820120279624426,0.642945565759715
EOS-2-46301,Cc1ncc(-c2cc(-c3nnc4cncc(OCCCF)c4n3)nn2C)cc1Cl,ZWSOBPFYSKWCBA-UHFFFAOYSA-N,2,0,0.214,68,569,413.844,3.583,4,0.446,0.63,0.115,0.21653759166609554,0.10931396066068125,0.19397231169899254,0.23004763210198068,0.1874678740319375
EOS-2-46302,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C6CCCOC6)c5)nc4)n23)c1,JSBJXICTFJAGSA-UHFFFAOYSA-N,2,1,0.457,65,468,502.966,4.071,6,0.328,0.7,1.0,0.3209684051812761,0.2511137002261668,0.1135802892193818,0.23886299773833186,0.23113134809128916
EOS-2-46303,Clc1ccc(-c2ccc(-c3ccc(-c4nnc5cncc(OCCc6ccccc6)n45)cc3)cc2)cc1,ICNUNIQJYZONNL-UHFFFAOYSA-N,2,1,0.906,21,452,503.005,7.4,6,0.228,0.85,1.0,0.9942344595983825,0.9960249468850662,0.9462682475498595,0.9578335960523611,0.9735903125214174
EOS-2-46304,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)cc5)n34)c2)cc1,OFRZZNJCWDMFPG-UHFFFAOYSA-N,2,1,0.764,21,47,503.005,7.4,6,0.228,0.81,1.0,0.9662977177712289,0.980193269823864,0.9431670207662257,0.9559574395175108,0.9614038619697074
EOS-2-46305,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ccccc6)cc5)n34)cc2)cc1,WHCPKENKKIFLCE-UHFFFAOYSA-N,2,1,0.824,21,47,503.005,7.4,6,0.228,0.85,1.0,0.9892228085806319,0.9940459872524159,0.9462768144746762,0.957242478240011,0.9716970221369338
EOS-2-46306,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(-c6ccccc6)c5)n34)c2)cc1,HZNJWZXCVLCBJN-UHFFFAOYSA-N,2,1,0.733,21,47,503.005,7.4,6,0.228,0.74,1.0,0.9601209649784114,0.969493180727846,0.9396974162154753,0.9546638338701939,0.9559938489479816
EOS-2-46307,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5csc(-c6ccccc6)n5)c4)n23)s1,AAWBUFKLLJKVOI-UHFFFAOYSA-N,2,1,0.511,28,363,503.012,6.271,6,0.267,0.69,1.0,0.5770594887259269,0.7083047769172778,0.5461071893633062,0.5884020971831951,0.6049683880474265
EOS-2-46308,Fc1ccc(-c2ccc3c(n2)C2Cc4c(-c5cccnc5)ccc(F)c4C2CO3)cn1,ISTYSLATSVRFHS-UHFFFAOYSA-N,2,0,0.209,11,358,413.427,5.3,6,0.419,0.44,1.0,0.2757950106229868,0.09921355630182989,0.9806644506887807,0.9699643615927627,0.58140934480159
EOS-2-46309,CC(c1ccccc1)n1cc(-c2cc(-c3ccc(-c4nnco4)cc3F)cnn2)nn1,MGEBFVMUFNIOMV-UHFFFAOYSA-N,2,0,0.198,19,574,413.416,4.201,5,0.426,0.63,0.999,0.01591734630936879,0.0020903296552669455,0.7798385991364539,0.6883952436433418,0.3715603796861079
EOS-2-46310,Cc1cccc(-c2[nH]c(-c3ccc(OC(F)(F)F)cc3)nc2-c2ccc(F)cc2)n1,CKVVRUBGWUQOQS-UHFFFAOYSA-N,2,0,0.273,83,148,413.374,6.152,4,0.408,0.93,0.951,0.3260914262216435,0.13963230758686862,0.9973613871564663,0.9943543965458159,0.6143598793776985
EOS-2-46311,Cn1cnnc1-c1c(F)cc(-c2cn(C(F)F)nc2-c2cc(F)ccn2)cc1C#N,QAZXHCLCUXJGBP-UHFFFAOYSA-N,2,0,0.21,22,861,413.338,3.953,4,0.473,0.65,0.43,0.1197570420121993,0.11849770406414914,0.9561459118634775,0.9296912480296073,0.5310229764923584
EOS-2-46312,Clc1sccc1-c1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,PFMKIFXRIBYUNW-UHFFFAOYSA-N,2,1,0.368,96,121,396.888,4.692,5,0.442,0.79,1.0,0.11976560893701597,0.25112226715098346,0.5822082105407443,0.6997121513261599,0.4132020594887259
EOS-2-46313,Clc1ccc(-c2nnc3cncc(-c4ccsc4-c4nncs4)n23)cc1,BAGWOKFKNHSYIL-UHFFFAOYSA-N,2,1,0.455,22,844,396.888,4.692,5,0.442,0.76,1.0,0.2523045027756836,0.5079158385306011,0.412291823726955,0.609733739976698,0.44556147625248443
EOS-2-46314,COc1cc(Cl)ccc1-c1nnc2cncc(OCCc3cnc(C)nc3)n12,BTYBYGSJXFHPNB-UHFFFAOYSA-N,2,1,0.585,90,636,396.838,3.173,4,0.494,0.77,1.0,0.7399081625659654,0.7540778562127339,0.40891645534918786,0.3423600164484957,0.5613156226440957
EOS-2-46315,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1O,CISJIBRLUYQVHJ-UHFFFAOYSA-N,2,1,0.75,48,396,396.834,3.78,4,0.534,0.78,1.0,0.976869302994997,0.9194966074977726,0.8013073127270235,0.7189363306147625,0.8541523884586388
EOS-2-46316,Fc1ccc(-c2nc(-c3ccc(C#Cc4ccc(-c5ccc(Cl)cc5F)cc4)cc3)no2)cc1F,VNFOEHGXXQYCMI-UHFFFAOYSA-N,2,0,0.239,83,148,486.88,7.541,5,0.247,0.86,1.0,0.25728188609416763,0.10587862380919745,0.9979696388184497,0.9995459529847166,0.5901690254266329
EOS-2-46317,FC1(c2ccc(-c3ccc(-c4nnc5cncc(Cl)n45)nc3)cn2)CCOC1,UJVQPBRBCOFVCO-UHFFFAOYSA-N,2,1,0.447,68,861,396.813,3.487,5,0.527,0.54,1.0,0.2679905421150024,0.3369200191899116,0.5258207113974368,0.6563378109793708,0.44676727092043045
EOS-2-46318,COc1ccc(-c2ccc(-n3nc(-c4ccccc4Cl)nc3-c3ccccc3OC)cc2F)nc1,LPLFYNIKBMWWIW-UHFFFAOYSA-N,2,0,0.299,83,148,486.934,6.473,5,0.275,0.78,1.0,0.10665821396751422,0.035955383455554796,0.9102957302446714,0.8613700226166815,0.4785698375711055
EOS-2-46319,OCC(CO)n1c(OCc2ccccc2)nc2nc(-c3ccc(Cl)cc3)cc(-c3cccnc3)c21,OQPCIYGEKNLHOS-UHFFFAOYSA-N,2,0,0.25,79,347,486.959,4.918,5,0.323,0.68,0.597,0.38922109519566855,0.25113083407580017,0.820531492015626,0.8163508327050922,0.5693085634980468
EOS-2-46320,Fc1cc(Br)cc(-c2nnc3cncc(OCc4nnnn4-c4ccc(F)c(F)c4)n23)c1,DOMABNOUUASIRP-UHFFFAOYSA-N,2,1,0.529,34,612,503.242,3.526,5,0.362,0.73,1.0,0.47117229799191285,0.6739171407031732,0.6986155849496265,0.7988657391542732,0.6606426906997465
EOS-2-46321,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)c(Cl)c5)cn4)n23)c(F)c1F,GTAMLZDMNPJRNO-UHFFFAOYSA-N,2,1,0.44,59,445,503.271,5.551,5,0.231,0.73,1.0,0.8663474059351655,0.8914913302720855,0.9819409224864643,0.9857960386539648,0.93139392433692
EOS-2-46322,FC(F)(F)c1cc(Oc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)ccc1Cl,JGMIPLDRIISYEQ-UHFFFAOYSA-N,2,1,0.639,13,995,503.271,6.366,5,0.266,0.76,1.0,0.9198307175656226,0.9419933520663423,0.995767939140566,0.9952881913508327,0.963220050030841
EOS-2-46323,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3nnc(C(F)F)o3)n12,RHNVZZLIMSXYJP-UHFFFAOYSA-N,2,1,0.553,90,255,396.716,3.483,4,0.51,0.73,0.999,0.5915804262901789,0.7407305873483654,0.682355561647591,0.729473648139264,0.6860350558563498
EOS-2-46324,FC(F)n1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1Cl,SNQGQRJQRVBPPL-UHFFFAOYSA-N,2,1,0.5,37,639,503.3,4.768,5,0.295,0.65,1.0,0.7310927969296142,0.8241038996641765,0.7294222465903639,0.7711003358234528,0.7639298197519019
EOS-2-46325,FC(F)n1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)nc(Cl)c5)n34)cn2)cn1,KMNCJDWKSULVPN-UHFFFAOYSA-N,2,1,0.533,58,468,503.3,4.768,5,0.295,0.64,1.0,0.6822698923994243,0.7174885203207456,0.8558100884106641,0.8421030087039956,0.7744178774587074
EOS-2-46326,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5sc(Cl)cc5Cl)n34)c(F)c2)cc1=O,GAHAZQPCISONDK-UHFFFAOYSA-N,2,1,0.43,4,605,503.346,4.638,5,0.348,0.7,1.0,0.48876019464053183,0.6350918374340346,0.7634329381125351,0.8220906723322596,0.6773439106298402
EOS-2-46327,Clc1ccc(CCOc2cncc3nnc(-c4cncc5nnc(-c6ccc(Cl)cc6)n45)n23)cc1,MPNGOOUGVDBRHF-UHFFFAOYSA-N,2,1,0.775,19,660,503.353,4.824,6,0.322,0.72,1.0,0.9113665958467548,0.9733054622712631,0.6195428688917826,0.8009817695839901,0.8262991741484477
EOS-2-46328,COc1cc(-c2nnc3cncc(OCCc4ccc(Br)nc4)n23)ccc1-c1ccccn1,ZXJOFZYOQQQGOF-UHFFFAOYSA-N,2,1,0.539,11,777,503.36,4.641,5,0.299,0.71,1.0,0.884723459666918,0.7623106709615517,0.6195514358165993,0.5034610376259337,0.6925116510177507
EOS-2-46329,Cc1nnc(-c2ccc(-c3cc(-c4cnnc5ccccc45)nn3C(C)C)cc2)s1,VVVYQRRSVANBHS-UHFFFAOYSA-N,2,0,0.14,62,574,412.522,5.568,5,0.386,0.72,0.988,0.0001970392707833596,7.710232335001028e-05,0.387430607908985,0.2741929956822699,0.16547443629634706
EOS-2-46330,Clc1ccc(-c2nc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cs2)cc1Cl,CJAXILKCZXVVAP-UHFFFAOYSA-N,2,1,0.28,3,498,503.378,5.741,6,0.303,0.74,1.0,0.16385957096840517,0.33692858611472826,0.7163234185456788,0.8280532520046604,0.5112912069083682
EOS-2-46331,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1Cl,QDBOVQGSXPJJJB-UHFFFAOYSA-N,2,1,0.48,26,563,503.39,5.614,5,0.275,0.73,1.0,0.7836594476046879,0.74961448838325,0.6958998697827428,0.7711089027482695,0.7500706771297375
EOS-2-46332,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)ccc1F,VWQYFBLNAQUITD-UHFFFAOYSA-N,2,1,0.522,26,125,503.39,5.804,5,0.281,0.71,0.999,0.7667740387910356,0.7881827839078884,0.8013158796518401,0.830177849359194,0.7966126379274895
EOS-2-46333,COc1cc(Oc2cncc3nnc(-c4ccc(-c5cc(C(F)(F)F)nn5C)c(F)n4)n23)ccc1F,GIKOMFJPFKOGTG-UHFFFAOYSA-N,2,1,0.436,13,573,503.391,4.685,5,0.254,0.73,0.997,0.6399150161058187,0.6351004043588514,0.9634277979576451,0.8878760879994517,0.7815798266054417
EOS-2-46334,Cn1nc(C(F)(F)F)c(F)c1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)nn1,XHXUGSSQLOFOQE-UHFFFAOYSA-N,2,1,0.473,53,477,503.395,3.295,5,0.325,0.6,0.698,0.5857634843396614,0.5585891988211912,0.6959084367075594,0.6033428140634638,0.610900983482969
EOS-2-46335,Cn1nc(C(F)(F)F)cc1-c1ccc(-c2nnc3ccc(C(F)(F)F)nn23)cc1,IMCDMTZUNBVBKJ-UHFFFAOYSA-N,2,0,0.234,66,225,412.297,4.229,4,0.463,0.86,1.0,0.07809608662874375,0.03288842437118772,0.9958536083887328,0.9766636967993969,0.5208754540470153
EOS-2-46336,Cc1nc(C#N)ccc1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cn1,IFHJXNNXZUOGOV-UHFFFAOYSA-N,2,1,0.539,1,713,503.444,4.906,5,0.322,0.72,1.0,0.95056027688301,0.9158899321499554,0.9676427249674456,0.9093191008155712,0.9358530087039956
EOS-2-46337,Cn1c(-c2nc(-c3ccccc3)no2)ccc1-c1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,CJFCRZWYLDRCGS-UHFFFAOYSA-N,2,1,0.462,30,203,503.444,5.412,6,0.31,0.68,1.0,0.5715509560688096,0.5828250291275444,0.89980981426907,0.8458381879240627,0.7250059968473717
EOS-2-46338,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)c(F)c6F)n5C)n34)o2)cc1,WDDSMJIJDXZVNH-UHFFFAOYSA-N,2,1,0.333,3,474,503.444,4.94,6,0.308,0.72,0.96,0.3286615036666438,0.5167997395654855,0.7542748954835172,0.7556884380782675,0.5888561441984785
EOS-2-46339,Cn1nc(-c2ccc(-n3ccnn3)cc2)cc1COc1cncc2nnc(-c3ccc(F)c(F)c3F)n12,GWABJGFUWZSQNY-UHFFFAOYSA-N,2,1,0.43,34,820,503.448,3.769,6,0.319,0.66,1.0,0.3361489959564115,0.5260520183674868,0.7634415050373518,0.7162291823726955,0.5854679254334864
EOS-2-46340,CCc1nc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cn2)cc(C(F)(F)F)n1,DSROISNDRQSFHP-UHFFFAOYSA-N,2,1,0.297,38,150,503.448,4.67,6,0.334,0.72,1.0,0.08937015968747858,0.15080357754780344,0.7036957713659104,0.5439226235350558,0.3719480330340621
EOS-2-46341,COc1ccc(Cl)cc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1,NXLXLJFUOOXGJD-UHFFFAOYSA-N,2,0,0.245,83,148,487.774,6.22,4,0.35,0.94,1.0,0.17742101295319032,0.029881433760537316,0.8558186553354807,0.894703927078336,0.48945625728188613
EOS-2-46342,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5cnc(Oc6ccccc6)cc5F)n34)s2)cc1F,QJFBBVGFQDKJOH-UHFFFAOYSA-N,2,1,0.347,3,641,503.469,5.581,6,0.303,0.69,0.996,0.4223408265369063,0.6547272291138373,0.7634500719621684,0.8142005345761085,0.6636796655472552
EOS-2-46343,COc1ncc(-c2nnco2)cc1COc1cncc2nnc(-c3ccc(-c4nncs4)cc3F)n12,COMZMKWTGZYYIK-UHFFFAOYSA-N,2,1,0.451,71,117,503.479,3.482,6,0.316,0.62,1.0,0.6609382496059215,0.6208707422383661,0.27976149681310397,0.20947844561716125,0.4427622335686382
EOS-2-46344,c1coc(-c2ccc(-c3nc(COc4cncc5nnc(-c6ccc(-c7cc[nH]n7)cc6)n45)no3)cc2)n1,IMJUTNKRJCQRIX-UHFFFAOYSA-N,2,1,0.392,69,898,503.482,4.465,7,0.331,0.58,1.0,0.5087810979370845,0.40453018984305394,0.31264135425947503,0.27420156260708656,0.375038551161675
EOS-2-46345,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cc(=O)n(C)c(=O)n1C,XTFNJVUKDIEWHZ-UHFFFAOYSA-N,2,1,0.495,15,458,503.494,2.02,5,0.331,0.53,0.999,0.5631810705229251,0.4185456788431225,0.2290281680487972,0.18404324583647455,0.3486995408128298
EOS-2-46346,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cc(=O)n(C)c(=O)n1C,LJKNNWNAWQWJSH-UHFFFAOYSA-N,2,1,0.495,15,458,503.494,2.02,5,0.331,0.59,1.0,0.4961191830580495,0.31808135151805905,0.2872832568021383,0.22384517853471317,0.33133224247824
EOS-2-46347,O=C(NCC(F)(F)F)c1ccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(Cl)cc2)cc1,DXRHMJYMSILWJL-UHFFFAOYSA-N,2,0,0.221,83,148,487.884,6.35,4,0.322,0.91,1.0,0.16653245151120555,0.061484819409224865,0.9946799396888493,0.9910732643410322,0.5534426187375779
EOS-2-46348,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nc[nH]n6)ccc5OC(F)F)n34)cn2)cs1,XTLZDDRGHCNFBW-UHFFFAOYSA-N,2,1,0.347,96,154,503.498,4.672,6,0.348,0.71,0.99,0.3869422931944349,0.48058734836543077,0.6281783291069838,0.5534062093071072,0.5122785449934891
EOS-2-46349,FC(F)n1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccs5)n4)n23)cn1,PJYDQJZHBVQNJO-UHFFFAOYSA-N,2,1,0.42,80,34,503.498,4.542,6,0.312,0.67,1.0,0.5715595229936262,0.5630354328010417,0.5047889109725173,0.44105955726132545,0.5201108560071277
EOS-2-46350,Fc1ccc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1-c1noc(CN2CCOCC2)n1,BLNOPGMAXMZINQ-UHFFFAOYSA-N,2,1,0.427,15,563,503.498,2.224,6,0.309,0.72,1.0,0.4359879377698581,0.28197176341580427,0.004523336303200603,0.0195068878075526,0.1854974813241039
EOS-2-46351,Cn1c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6n[nH]c(=N)o6)cc5)n34)c(F)c2)nc2ccccc21,FJIYBNDXWUCUCJ-UHFFFAOYSA-N,2,1,0.293,93,107,503.501,4.614,7,0.361,0.6,1.0,0.2629103556987184,0.20552052635186074,0.5625299842368583,0.5439311904598725,0.3937230141868275
EOS-2-46352,CN(C)C(=O)Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)cn1,LKFIRSXEZWEQMO-UHFFFAOYSA-N,2,1,0.679,91,322,503.513,3.643,5,0.321,0.72,1.0,0.3616355972859982,0.34200877253101225,0.4879035021588651,0.4094390377630046,0.40024672743472006
EOS-3-00000,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)cc1,RFFWUFADMRGLBO-UHFFFAOYSA-N,3,1,0.416,0,175,443.467,1.685,5,0.51,0.95,1.0,0.06423480227537523,0.00062538551161675,0.005457131108217394,0.005799808100884107,0.019029281749023373
EOS-3-00001,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)nc4)n23)cc1,PTPXPFLZTNLIQY-UHFFFAOYSA-N,3,1,0.344,0,169,431.431,2.007,5,0.53,0.95,1.0,0.2468816393667329,0.1789202247961072,0.05814371873072442,0.06431190459872524,0.13706437187307244
EOS-3-00002,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)c(F)c1,FLOSARGZQRVNJL-UHFFFAOYSA-N,3,1,0.398,0,21,444.47,3.193,5,0.522,0.95,1.0,0.16386813789322185,0.13579432526900143,0.021682886710986223,0.06947776026317593,0.09770577753409636
EOS-3-00003,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cc1,SXHZBHRXXDHRQZ-UHFFFAOYSA-N,3,1,0.469,0,901,442.479,2.29,5,0.52,0.94,1.0,0.07391542731820985,0.0008738263313001165,0.015163456925502021,0.021931327530669592,0.0279710095264204
EOS-3-00004,CN1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cc2)CC1,RGWIGRDNYBRQKK-UHFFFAOYSA-N,3,1,0.437,0,21,442.483,1.34,5,0.506,0.91,1.0,0.03438763621410459,0.0012422040984168322,0.0016277157151668837,0.0017990542115002399,0.009764152559797137
EOS-3-00005,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cn1,BIUBKSIGURORGL-UHFFFAOYSA-N,3,1,0.417,0,829,443.467,1.685,5,0.51,0.96,1.0,0.05894044273867453,0.0018504557604002467,0.004531903228017271,0.004626139401000617,0.017487235282023166
EOS-3-00006,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)cn1,XISHZIYPAQVDAZ-UHFFFAOYSA-N,3,1,0.351,0,21,441.495,2.839,5,0.522,0.93,1.0,0.0537574532245905,0.00777876773353437,0.0017562195874169008,0.002929888287300391,0.016555582208210542
EOS-3-00007,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cc1F,LSPYJRRFKBJVJT-UHFFFAOYSA-N,3,1,0.48,0,901,460.469,2.429,5,0.502,0.96,1.0,0.14166266876841888,0.04263758481255568,0.037960043862655064,0.0752347337399767,0.07437375779590158
EOS-3-00008,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nn4)n23)cc1,DPCQQEMUMRVQIQ-UHFFFAOYSA-N,3,1,0.411,0,546,442.483,2.234,5,0.515,0.91,1.0,0.04014460969090535,0.0033325337536837777,0.0005482831882667398,0.0007538893838667671,0.01119482900418066
EOS-3-00009,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)cn1,GCJAMCSQCZTTPF-UHFFFAOYSA-N,3,1,0.349,0,688,431.431,2.007,5,0.53,0.95,1.0,0.28156911794942086,0.21530395449249537,0.058152285655541085,0.06274415735727504,0.1544423788636831
EOS-3-00010,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cn1,WZUMZEVKOWRLGY-UHFFFAOYSA-N,3,1,0.355,0,21,427.468,2.449,5,0.536,0.95,1.0,0.07204783770817627,0.008464121718867795,0.0028356521143170447,0.004120690836817216,0.02186707559454458
EOS-3-00011,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cc4)n23)cn1,VGGIZJLBMPCVBD-UHFFFAOYSA-N,3,1,0.333,0,21,439.479,2.591,6,0.512,0.97,1.0,0.17456822698923993,0.061493386334041535,0.002595778219450346,0.008695428688917825,0.061838205057912404
EOS-3-00012,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(Br)cn4)n23)cc1,PMCAYXRALRXTSO-UHFFFAOYSA-N,3,1,0.387,63,437,436.273,2.903,5,0.529,0.92,1.0,0.18047940511274074,0.1218302378178329,0.06615379343430883,0.1242803783153999,0.1231859536700706
EOS-3-00013,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cc1F,BLJYCIUBJODGLB-UHFFFAOYSA-N,3,1,0.387,0,21,444.47,3.193,5,0.522,0.94,1.0,0.13898978822561853,0.09922212322664656,0.022822287711603044,0.07325577410732644,0.08357249331779863
EOS-3-00014,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cc1,BZJPWGJITVUQIW-UHFFFAOYSA-N,3,1,0.366,0,175,441.495,2.839,5,0.511,0.93,1.0,0.06604242341169214,0.0044976355287505996,0.0028442190391337126,0.003966486190117195,0.019337691042423413
EOS-3-00015,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)cc1,SEANVQVYODFVBA-UHFFFAOYSA-N,3,1,0.363,0,901,430.443,2.612,5,0.537,0.94,1.0,0.3209769721060928,0.20104002467274348,0.17437118771845658,0.17306901514632309,0.217364299910904
EOS-3-00016,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)cc1,KPOXOCMZRWEOLF-UHFFFAOYSA-N,3,1,0.354,0,901,444.47,3.002,5,0.511,0.95,1.0,0.2870776506065383,0.2055290932766774,0.13685662394626824,0.13713076554040163,0.19164853334247137
EOS-3-00017,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)ncn4)n23)cc1,XCEBBNNROMNCKZ-UHFFFAOYSA-N,3,1,0.388,66,264,439.401,3.083,5,0.513,0.92,1.0,0.32349564800219316,0.29264615173737235,0.6465201151394695,0.5439397573846891,0.45165041806593104
EOS-3-00018,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)cc1,PDFZLUQRZPUXTD-UHFFFAOYSA-N,3,1,0.415,0,829,443.467,1.685,5,0.51,0.91,1.0,0.045850181618806114,0.0008823932561167843,0.004274895483517237,0.004634706325817284,0.013910544171064354
EOS-3-00019,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cc4)n23)cc1,ZJHOENMRDFSIND-UHFFFAOYSA-N,3,1,0.365,0,901,444.47,3.002,5,0.522,0.93,1.0,0.1557124254677541,0.05003940785415667,0.09302823658419573,0.13713933246521828,0.10897985059283119
EOS-3-00020,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cn4)n23)cn1,GADJORYTTHXNQS-UHFFFAOYSA-N,3,1,0.344,63,175,442.483,2.234,5,0.515,0.91,0.999,0.030558220821054076,0.007101980673017614,0.0006339524364334179,0.000668220135700089,0.009740593516551299
EOS-3-00021,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cc1,VQICCJFBWPSYAM-UHFFFAOYSA-N,3,1,0.363,0,21,440.507,3.444,5,0.513,0.96,1.0,0.06605099033650881,0.004866013295867316,0.0070762798985676105,0.01485504763210198,0.02321208279076143
EOS-3-00022,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cn4)n23)cc1,GDGROCVSWJOWQS-UHFFFAOYSA-N,3,1,0.374,0,175,441.495,2.839,5,0.522,0.91,1.0,0.06264135425947502,0.004506202453567268,0.0020560619560002743,0.003692344595983826,0.0182239908162566
EOS-3-00023,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nc4)n23)cc1,YDZUSKLYWXQARJ-UHFFFAOYSA-N,3,1,0.383,0,169,441.495,2.839,5,0.511,0.92,1.0,0.027157151668836955,0.003692344595983826,0.002458707422383661,0.003272565279967103,0.009145192241792886
EOS-3-00024,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cc1,KWQMDGUCNGJBCP-UHFFFAOYSA-N,3,1,0.378,0,175,427.468,2.449,5,0.536,0.92,1.0,0.08451271331642793,0.005354328010417381,0.003452470701117127,0.005088753341100679,0.024602066342265777
EOS-3-00025,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cn1,LRYPGDAMASHATK-UHFFFAOYSA-N,3,1,0.347,63,175,428.456,1.844,5,0.527,0.93,0.999,0.04585874854362278,0.008472688643684462,0.0011736686998834898,0.0009509286546501268,0.014114008635460217
EOS-3-00026,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)cc1,PUHPPONHDCFSLX-UHFFFAOYSA-N,3,1,0.349,0,175,431.431,2.007,5,0.53,0.91,1.0,0.31370365293674185,0.1915564389006922,0.07247618394900966,0.0732643410321431,0.1627501542046467
EOS-3-00027,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cc4)n23)cc1,SWVAYEVMMHRBLF-UHFFFAOYSA-N,3,1,0.398,0,901,430.443,2.741,5,0.536,0.93,1.0,0.13109108354465082,0.027062915495853608,0.08852203413062847,0.15425604824892056,0.10023302035501336
EOS-3-00028,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cc4)n23)cc1F,KEMCJDUPVAVFLZ-UHFFFAOYSA-N,3,1,0.384,0,901,444.47,3.193,5,0.51,0.95,1.0,0.22771742855184704,0.19156500582550887,0.032622849701871015,0.07904701528339388,0.1327380748406552
EOS-3-00029,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nc4)n23)cc1,VJJOEQXGXSNTLD-UHFFFAOYSA-N,3,1,0.396,0,169,427.468,2.449,5,0.536,0.9,1.0,0.05049345486944007,0.004514769378383935,0.0028527859639503805,0.004129257761633884,0.015497566993352068
EOS-3-00030,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)cc1,VDUBIZPSFSOMQY-UHFFFAOYSA-N,3,1,0.371,0,21,440.507,3.444,5,0.525,0.93,1.0,0.06074806387499143,0.004523336303200603,0.005063052566650675,0.01380131587965184,0.021033942156123638
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EOS-3-00032,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cc4)n23)cc1F,MMTYTGKUBBLGKG-UHFFFAOYSA-N,3,1,0.394,0,901,430.443,2.803,5,0.538,0.93,1.0,0.2277259954766637,0.1872986772668083,0.04378555273798917,0.1015266260023302,0.14008421287094786
EOS-3-00033,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nn4)n23)cc1,RQWLFDSHZWJENW-UHFFFAOYSA-N,3,1,0.416,0,546,428.456,1.844,5,0.527,0.91,1.0,0.0607566307998081,0.004531903228017271,0.000942361729833459,0.0010280309780001371,0.016814731683914744
EOS-3-00034,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nn4)n23)cc1,LYFKRZYNLYIONA-UHFFFAOYSA-N,3,1,0.402,0,546,442.483,2.234,5,0.503,0.9,1.0,0.04901137687615653,0.0037009115208004933,0.0008224247824001096,0.0007967240079501062,0.01358285929682681
EOS-3-00035,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)n23)cc1,FTNKTYBDYBCABR-UHFFFAOYSA-N,3,1,0.451,0,21,460.469,2.429,5,0.502,0.94,1.0,0.12519703927078335,0.05771537248989103,0.03796861078747173,0.07122541292577617,0.07302660886848057
EOS-3-00036,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)nn4)n23)cc1,XFODYOFJXXPUPM-UHFFFAOYSA-N,3,1,0.38,0,546,428.456,1.844,5,0.515,0.93,1.0,0.11460832019738194,0.027071482420670277,0.0014049756699335207,0.0011051333013501474,0.03604747789733397
EOS-3-00037,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nc4)n23)cc1,QXKQBCXODXJKPN-UHFFFAOYSA-N,3,1,0.391,0,21,441.495,2.839,5,0.522,0.88,1.0,0.037086217531354944,0.0037094784456171612,0.0017647865122335687,0.0029384552121170583,0.011374734425330683
EOS-3-00038,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)n23)cc1,MRQXILZJORISNW-UHFFFAOYSA-N,3,1,0.465,0,21,446.442,2.169,5,0.514,0.91,1.0,0.1281183606332671,0.05376602014940717,0.034027825371804536,0.08237954903707766,0.07457293879788912
EOS-3-00039,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nc4)n23)c(F)c1,PAKCSCRUPUPONY-UHFFFAOYSA-N,3,1,0.364,0,169,445.458,2.588,5,0.518,0.89,1.0,0.10902268521691454,0.12888938386676718,0.006048248920567473,0.018316085258035776,0.06556910081557124
EOS-3-00040,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cc4)n23)cc1Cl,NUVACHSGRHBCRC-UHFFFAOYSA-N,3,1,0.394,0,901,446.898,3.317,5,0.519,0.94,1.0,0.23872592694126515,0.23566753478171476,0.04227777397025564,0.13045713110821738,0.16178209170036323
EOS-3-00041,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cc4)n23)cc1,RLWPMRKBKZTTGW-UHFFFAOYSA-N,3,1,0.376,0,21,438.491,3.196,6,0.517,0.95,1.0,0.1917963127955589,0.053774587074223834,0.008267082448084436,0.03713761908025495,0.07274390034953052
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EOS-3-00043,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nn4)n23)c(F)c1,LLJXFENAAHODQP-UHFFFAOYSA-N,3,1,0.371,0,546,446.446,1.983,5,0.509,0.9,1.0,0.0989993831814132,0.1185062709889658,0.0023130697005003084,0.00555136728120074,0.05634252278802
EOS-3-00044,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cc1F,KMRDJZVSNXLRET-UHFFFAOYSA-N,3,1,0.495,0,901,446.442,2.169,5,0.514,0.9,1.0,0.13648824617915153,0.035963950380371465,0.034036392296621205,0.08577205126447811,0.07306516003015558
EOS-3-00045,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cn1,LGFYOUGAJAUVOL-UHFFFAOYSA-N,3,1,0.43,0,829,429.44,1.425,5,0.519,0.93,1.0,0.04015317661572202,0.000762456308683435,0.0039065177164005205,0.005302926461517374,0.012531269275580837
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EOS-3-00047,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)c(F)c1,MGHCYSVFFOAXDW-UHFFFAOYSA-N,3,1,0.495,0,901,460.469,2.429,5,0.502,0.94,1.0,0.1692567336029059,0.0765112055376602,0.037977177712288396,0.07123397985059284,0.08874477417586184
EOS-3-00048,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cc4)n23)cc1,UIYHGCNIFUURSN-UHFFFAOYSA-N,3,1,0.368,0,901,426.48,3.054,5,0.53,0.96,1.0,0.12254985950243301,0.038851004043588516,0.013278733465835104,0.021939894455486258,0.04915487286683572
EOS-3-00049,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(Br)cn4)n23)cc1F,CXYWDZKDXIUFKJ-UHFFFAOYSA-N,3,1,0.337,63,306,454.263,3.042,5,0.509,0.9,1.0,0.1804879720375574,0.21030087039956138,0.1521400178192036,0.2773284901651703,0.20506433760537318
EOS-3-00050,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cn4)n23)cc1F,AVYLHHVOLTXHDH-UHFFFAOYSA-N,3,1,0.346,0,175,431.431,2.198,5,0.531,0.89,1.0,0.21373620725104517,0.17485950243300666,0.014503803714618601,0.03515865944760469,0.10956454321156879
EOS-3-00051,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)c(F)c4)n23)cc1,WQFRKFOXIDZVIH-UHFFFAOYSA-N,3,1,0.385,0,21,430.443,2.803,5,0.538,0.92,1.0,0.22773456240148038,0.21531252141731205,0.04228634089507231,0.0973459666917963,0.14566984785141526
EOS-3-00052,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cc1F,OUZWLSILPPEIDC-UHFFFAOYSA-N,3,1,0.354,0,175,445.458,2.588,5,0.518,0.88,1.0,0.1115327941881982,0.09300253580974574,0.0074617915153176615,0.024330066479336578,0.05908179699814955
EOS-3-00053,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)nn4)n23)cc1,GVKXFFFUGWETKZ-UHFFFAOYSA-N,3,1,0.376,0,546,440.467,1.986,6,0.504,0.91,1.0,0.1611952573504215,0.03597251730518813,0.0008309917072167774,0.002450140497566993,0.05011222671509836
EOS-3-00054,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)cc1F,YSSVYOCCEZCRKY-UHFFFAOYSA-N,3,1,0.402,0,829,447.43,1.564,5,0.503,0.89,1.0,0.09900795010622987,0.04264615173737235,0.00919231032828456,0.024338633404153244,0.04379626139401
EOS-3-00055,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCC5)nc4)n23)cc1,VZLMDWDHHCWPFB-UHFFFAOYSA-N,3,1,0.424,0,334,453.506,2.515,6,0.481,0.91,1.0,0.12255842642724968,0.029890000685353985,0.002467274347200329,0.006964909875950929,0.04047015283393873
EOS-3-00056,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nc4)n23)cc1F,GWCLJABQHVWJMI-UHFFFAOYSA-N,3,1,0.371,0,169,445.458,2.588,5,0.518,0.88,1.0,0.09425330683297924,0.10261462545404701,0.006056815845384141,0.019515454732369267,0.05561005071619492
EOS-3-00057,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)nc1,WMJXKOCHQKSVKN-UHFFFAOYSA-N,3,1,0.32,0,825,445.458,2.588,5,0.518,0.9,0.999,0.07205640463299294,0.0835360838873278,0.007084846823384278,0.02271948461380303,0.046349204989377016
EOS-3-00058,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nn4)n23)cc1,QKYSAPZRHAXALF-UHFFFAOYSA-N,3,1,0.44,0,546,444.455,1.08,5,0.495,0.91,1.0,0.06076519772462477,0.0010537317524501404,0.0016448495648002193,0.0012936056473168392,0.016189346172297992
EOS-3-00059,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nn4)n23)nc1,DAPZLRJJCZSTKM-UHFFFAOYSA-N,3,1,0.32,63,546,443.471,1.629,5,0.503,0.88,1.0,0.009038105681584538,0.0012507710232335,0.00013707079706668494,0.00012850387225001714,0.002638612843533685
EOS-3-00060,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nn4)n23)cc1,MLXSHGZNTIVODD-UHFFFAOYSA-N,3,1,0.425,0,546,428.456,1.973,5,0.525,0.91,1.0,0.02372181481735316,0.0023302035501336442,0.00036837776711671577,0.000805290932766774,0.006806421766842574
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EOS-3-00062,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4F)n23)cc1,QKULHUCHMRXAQX-UHFFFAOYSA-N,3,1,0.398,0,21,444.47,3.193,5,0.522,0.9,1.0,0.15846240833390446,0.10262319237886368,0.023704680967719827,0.0712425467754095,0.08900820711397436
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EOS-3-00064,CN1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)CC1,UAWVNXXIOYVNAJ-UHFFFAOYSA-N,3,1,0.431,0,175,442.483,1.34,5,0.506,0.88,1.0,0.05215543828387362,0.0007710232335001028,0.002064628880816942,0.0020560619560002743,0.014261788088547734
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EOS-3-00074,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cc1,BGPNJYFAMBEPEO-UHFFFAOYSA-N,3,1,0.455,0,901,456.506,2.68,5,0.496,0.95,1.0,0.0642433692001919,0.0006339524364334179,0.01219930093893496,0.016011582482352134,0.0232720512644781
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EOS-3-00076,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)cc1,XQEAHDPHTASWAC-UHFFFAOYSA-N,3,1,0.4,0,21,426.48,3.183,5,0.539,0.93,1.0,0.03858542937427181,0.002672880542800356,0.004283462408333904,0.016020149407168803,0.015390480433143719
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EOS-3-00078,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)cc1,JWIPMCSFCLZHAC-UHFFFAOYSA-N,3,1,0.429,0,829,429.44,1.425,5,0.519,0.9,1.0,0.033128298266054415,0.0005311493386334042,0.003915084641217189,0.005311493386334042,0.010721506408059764
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EOS-3-00125,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCCCC5)nc4)n23)cc1F,RXSKBRUFFLJMJO-UHFFFAOYSA-N,3,1,0.446,0,345,459.485,2.641,5,0.49,0.9,0.999,0.05896614351312453,0.07996367623877733,0.002861352888767048,0.012319237886368309,0.038527602631759306
EOS-3-00126,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)nc1,ONKXFZBUGKFEIN-UHFFFAOYSA-N,3,1,0.289,63,759,442.483,2.234,5,0.503,0.85,0.982,0.021520115139469536,0.0014906449181001987,0.0011822356247001577,0.0009594955794667946,0.006288122815434172
EOS-3-00127,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)cc1F,NHIAZIGKLCEEHX-UHFFFAOYSA-N,3,1,0.402,63,568,424.827,2.252,5,0.523,0.88,1.0,0.2468902062915496,0.28200603111507094,0.0930368035090124,0.21557809608662876,0.2093777842505654
EOS-3-00128,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)cc1,CSHSIANQFHMMSR-UHFFFAOYSA-N,3,1,0.396,0,901,434.406,2.648,5,0.532,0.87,1.0,0.2871033513809883,0.1915821396751422,0.3383935302583784,0.36516517031046536,0.2955610479062436
EOS-3-00129,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)nc1,QNYYICJXHWRPMR-UHFFFAOYSA-N,3,1,0.298,63,759,428.456,1.844,5,0.527,0.85,0.997,0.028305119594270442,0.0016362826399835516,0.001345007196216846,0.0012250702487834966,0.008127869919813584
EOS-3-00130,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)F)cn4)n23)cc1F,BIWAROXMVKZJNK-UHFFFAOYSA-N,3,1,0.396,66,5,439.401,3.141,5,0.496,0.87,1.0,0.2680162428894524,0.3759851963539168,0.4597868549105613,0.49993146460146665,0.40092993968884927
EOS-3-00131,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nc4)n23)nc1,WWMCYTCYWNVDND-UHFFFAOYSA-N,3,1,0.33,63,169,442.483,2.234,5,0.503,0.87,0.996,0.013570008909601809,0.002681447467617024,0.0008395586320334452,0.0007110547597834281,0.004450517442258927
EOS-3-00132,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)C5)cc4)n23)cn1,ZXNVXAAROZIGOS-UHFFFAOYSA-N,3,1,0.349,0,688,449.421,2.433,5,0.511,0.85,0.999,0.08684291686656158,0.07651977246247688,0.08612329518196149,0.16749194709067233,0.10424448290041807
EOS-3-00133,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)c(C)c1,MOWYGRWJKTYSLM-UHFFFAOYSA-N,3,1,0.333,0,175,441.495,2.757,5,0.522,0.87,1.0,0.0845212802412446,0.004891714070317319,0.0037437461448838324,0.004866013295867316,0.024505688438078266
EOS-3-00134,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOC5)nc4)n23)cc1,YTPTYEOIIDVZLB-UHFFFAOYSA-N,3,1,0.371,0,829,429.44,1.643,5,0.524,0.89,1.0,0.11154992803783154,0.0018675896100335823,0.009209444177917895,0.008335617846617778,0.0327406449181002
EOS-3-00135,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nn4)n23)cc1,QERYQXIQGUNQNP-UHFFFAOYSA-N,3,1,0.398,0,546,456.51,2.624,5,0.49,0.89,1.0,0.03056678774587074,0.002690014392433692,0.00045404701528339387,0.0005654170379000754,0.008569066547871975
EOS-3-00136,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cc1,RRUUKYYAXWGMAE-UHFFFAOYSA-N,3,1,0.408,66,264,439.401,3.083,5,0.513,0.88,1.0,0.3031749023370571,0.24611918305804947,0.5884706325817285,0.5137841820300185,0.4128872250017134
EOS-3-00137,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cn4)n23)cc1F,VHDAENICNSZTGD-UHFFFAOYSA-N,3,1,0.351,0,175,459.485,2.978,5,0.503,0.88,1.0,0.08030635323144404,0.079972243163594,0.00430059625796724,0.017279487355218972,0.04546467000205607
EOS-3-00138,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cn4)n23)cc1,KBBMMAZKVNJCLT-UHFFFAOYSA-N,3,1,0.362,0,175,455.522,3.229,5,0.495,0.9,1.0,0.047315125762456306,0.0033411006785004456,0.0017733534370502364,0.0028185182646837093,0.013812024535672674
EOS-3-00139,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nc4)n23)cn1,XFWYCNKKGPMJRY-UHFFFAOYSA-N,3,1,0.37,63,169,442.483,2.234,5,0.515,0.86,1.0,0.033136865190871084,0.004900280995133986,0.0005225824138167364,0.0004797477897333973,0.009759869097388803
EOS-3-00140,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCCC5)s4)n23)cc1,SXFJWPGDRXQSKY-UHFFFAOYSA-N,3,1,0.471,0,334,446.536,3.039,5,0.509,0.85,1.0,0.05376602014940717,0.009115208004934549,0.0019104242341169214,0.0023302035501336442,0.016780463984648074
EOS-3-00141,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4C)n23)cc1,PWSYDEDXFSFUIE-UHFFFAOYSA-N,3,1,0.446,0,901,456.506,2.599,5,0.507,0.92,1.0,0.0589747104379412,0.001259337948050168,0.01818758138578576,0.021091768898636145,0.024878349667603317
EOS-3-00142,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)cc4)n23)cc1,QAOIYPMGHFLUAQ-UHFFFAOYSA-N,3,1,0.371,0,21,454.534,3.834,5,0.506,0.94,1.0,0.09666917963127955,0.012833253375368378,0.0030755260091837435,0.009672058118017956,0.030562504283462407
EOS-3-00143,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1,OZSFWSVRUNRFIU-UHFFFAOYSA-N,3,1,0.389,0,862,430.443,2.849,5,0.507,0.92,1.0,0.27087759577821946,0.2665255979713522,0.30889760811459116,0.2982489205674731,0.28613743060790897
EOS-3-00144,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)nc1,GRQZCTAVFWCYFX-UHFFFAOYSA-N,3,1,0.607,90,683,426.839,2.96,4,0.509,0.89,1.0,0.6254369131656501,0.37101637996024944,0.5981084230004797,0.5402988143376054,0.5337151326159961
EOS-3-00145,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)n23)c(F)c1,OILLMWIGESNFSS-UHFFFAOYSA-N,3,1,0.461,0,21,464.432,2.308,5,0.496,0.93,1.0,0.18049653896237405,0.0992392570762799,0.07890137756151051,0.18666472483037488,0.13632547460763483
EOS-3-00146,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cc4)n23)cn1,XFJMGJOPDHOFGP-UHFFFAOYSA-N,3,1,0.337,0,21,445.458,2.397,5,0.517,0.84,1.0,0.10422520731958056,0.06558837639640874,0.02690014392433692,0.048702967582756496,0.061354173805770684
EOS-3-00147,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)cc1,BVAKOJUTFCDRHQ-UHFFFAOYSA-N,3,1,0.429,0,175,429.44,1.425,5,0.519,0.88,1.0,0.05540230278939072,0.00036837776711671577,0.004788910972517305,0.006665067507367555,0.016806164759098075
EOS-3-00148,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4F)n23)cn1,IKOAYQUCNYSJCJ-UHFFFAOYSA-N,3,1,0.37,0,169,445.458,2.717,5,0.516,0.87,0.998,0.08937872661229525,0.10588719073401412,0.003461037625933795,0.01602871633198547,0.05368891782605716
EOS-3-00149,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)cc1,PGMHKFMKLWGNDF-UHFFFAOYSA-N,3,1,0.33,0,175,457.469,2.539,6,0.494,0.89,1.0,0.3286700705914605,0.16623260914262217,0.032631416626687684,0.08410150092522788,0.15290889932149954
EOS-3-00150,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)nc4)n23)c(F)c1,UEWBJZRZOPBQQK-UHFFFAOYSA-N,3,1,0.366,0,169,435.394,1.885,5,0.523,0.86,1.0,0.26015180590775133,0.302635186073607,0.11681858680008224,0.1814217668425742,0.2152568364060037
EOS-3-00151,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nn4)n23)cc1F,QLIRRUDRQJLMNU-UHFFFAOYSA-N,3,1,0.38,66,306,423.839,2.857,5,0.53,0.88,1.0,0.26560893701596877,0.2926718525118224,0.20802206839832774,0.37482866150366667,0.2852828798574464
EOS-3-00152,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)s1,AVYUAGSTYKZSGV-UHFFFAOYSA-N,3,1,0.348,0,825,432.509,3.245,5,0.533,0.88,0.999,0.02056061956000274,0.00269858131725036,0.000848125556850113,0.0021674319786169557,0.006568689603180042
EOS-3-00153,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(OCC(F)F)cn4)n23)cc1,KKDPRWIAXJCXBW-UHFFFAOYSA-N,3,1,0.356,63,437,437.41,2.784,5,0.474,0.94,1.0,0.44063977794530873,0.297683503529573,0.3016756904941402,0.320120279624426,0.340029812898362
EOS-3-00154,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cn4)n23)nn1,FYTAMOJTJGKDKX-UHFFFAOYSA-N,3,1,0.299,63,759,443.471,1.629,5,0.503,0.82,0.965,0.01505208690288534,0.0018761565348502502,0.00014563772188335277,0.0001028030978000137,0.004294171064354739
EOS-3-00155,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cc1,KVNDLFZUJFYLPM-UHFFFAOYSA-N,3,1,0.362,0,175,453.506,2.982,6,0.498,0.89,1.0,0.1115584949626482,0.005919745048317456,0.0020903296552669455,0.007530326913851004,0.0317747241450209
EOS-3-00156,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)nc1,STXPJPDEYVLJLB-UHFFFAOYSA-N,3,1,0.316,0,782,453.506,2.982,6,0.498,0.9,1.0,0.05050202179425673,0.007110547597834281,0.0019189911589335893,0.007538893838667672,0.01676761359742307
EOS-3-00157,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cc1Cl,MISKCPDZEPCLDV-UHFFFAOYSA-N,3,1,0.387,0,21,460.925,3.707,5,0.501,0.93,1.0,0.1584795421835378,0.13964087451168528,0.021691453635802892,0.09542697553286272,0.10380971146597216
EOS-3-00158,CN(C)C(=O)c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1,FVQFZNDMINESQH-UHFFFAOYSA-N,3,1,0.394,0,685,458.497,3.115,5,0.479,0.92,1.0,0.29543896922760604,0.2307329860873141,0.20439825920087726,0.1701905284079227,0.22519018573093003
EOS-3-00159,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)nc1,JUWNNSRDRKIBRK-UHFFFAOYSA-N,3,1,0.308,0,825,435.394,2.043,5,0.524,0.85,0.999,0.2193646768555959,0.1829381125351244,0.16778322253443903,0.20948701254197793,0.19489325611678432
EOS-3-00160,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)nc1C,FXKXMXNKYSCGRF-UHFFFAOYSA-N,3,1,0.296,63,759,442.483,2.152,5,0.514,0.86,0.969,0.02056918648481941,0.0012679048728668357,0.001070865602083476,0.0005996847371667467,0.005876910424234117
EOS-3-00161,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)cc1,SXAMXXZYZKLOTF-UHFFFAOYSA-N,3,1,0.402,0,829,457.494,2.075,5,0.488,0.89,1.0,0.033145432115687753,0.0006425193612500857,0.0037523130697005003,0.0037094784456171612,0.010312435748063876
EOS-3-00162,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nc4)n23)cn1,XOBSMVSMAKFDDZ-UHFFFAOYSA-N,3,1,0.358,63,169,454.494,2.376,6,0.492,0.92,1.0,0.0607823315742581,0.0077873346583510385,0.00046261394010006166,0.0012336371736001645,0.017566479336577342
EOS-3-00163,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cc1,NLRDUOGUWKOUKN-UHFFFAOYSA-N,3,1,0.465,0,901,468.517,2.823,6,0.483,0.98,1.0,0.10423377424439723,0.0012764717976835036,0.00782160235761771,0.02807381262422041,0.035351415255979714
EOS-3-00164,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)cc1,ZYGNDLSDLDMULV-UHFFFAOYSA-N,3,1,0.414,66,334,440.389,2.478,5,0.508,0.84,1.0,0.24146734288259886,0.2103180042491947,0.287291823726955,0.2593208142005346,0.24959949626482075
EOS-3-00165,Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)ccc1C(N)=O,BZIADLXRMUWDBV-UHFFFAOYSA-N,3,1,0.359,0,901,430.443,2.66,5,0.536,0.9,1.0,0.24689877321636625,0.17487663628264,0.15824823521348777,0.17859468165307382,0.18965458159139195
EOS-3-00166,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)cc1F,ZXDGBPLOWCEXPV-UHFFFAOYSA-N,3,1,0.392,66,685,439.401,3.141,5,0.496,0.86,1.0,0.23310602426153107,0.3320026043451443,0.4386351175382085,0.49673600164484955,0.3751199369474333
EOS-3-00167,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)cn1,KZYOVSPNBJZROG-UHFFFAOYSA-N,3,1,0.341,63,175,432.419,1.402,5,0.518,0.87,0.981,0.2708861627030361,0.23074155301213076,0.019952367898019328,0.019524021657185937,0.13527602631759303
EOS-3-00168,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)c(F)c4)n23)cn1,VIYILOOEFPWCJX-UHFFFAOYSA-N,3,1,0.341,0,688,449.421,2.146,5,0.512,0.87,0.928,0.3209855390309095,0.3369371530395449,0.12257556027688302,0.15966177780823795,0.23504000753889384
EOS-3-00169,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nn4)n23)cc1C,XQBNSNXAMHXIGQ-UHFFFAOYSA-N,3,1,0.383,0,546,442.483,2.152,5,0.514,0.86,1.0,0.04306593105338907,0.0023559043245836475,0.0011908025495168254,0.0010365979028168048,0.011912308957576589
EOS-3-00170,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1F,PEALVGWNKGXOEJ-UHFFFAOYSA-N,3,1,0.33,0,688,431.431,2.244,5,0.501,0.89,1.0,0.28157768487423757,0.23075011993694744,0.13686519087108492,0.14177403879103556,0.19774175861832638
EOS-3-00171,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1,XAUNZQCTIOJOFN-UHFFFAOYSA-N,3,1,0.333,0,862,439.479,2.638,6,0.477,0.93,1.0,0.1944349256390926,0.06559694332122541,0.028056678774587073,0.05968576519772462,0.08694357823315742
EOS-3-00172,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCCC5)nc4)n23)cc1,IPGVAKQLMZUHKN-UHFFFAOYSA-N,3,1,0.446,0,345,467.533,2.905,6,0.468,0.92,1.0,0.06264992118429169,0.0053714618600507165,0.0015334795421835378,0.004874580220683983,0.018607360701802484
EOS-3-00173,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)nc4)n23)c(F)c1,PNOCFNGDEVWAAP-UHFFFAOYSA-N,3,1,0.371,0,169,431.431,2.198,5,0.531,0.87,1.0,0.1972277431293263,0.22036700705914605,0.011736686998834898,0.028082379549037077,0.11435345418408609
EOS-3-00174,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cc4Cl)n23)cc1,WVJHCGKLZCKXHE-UHFFFAOYSA-N,3,1,0.438,66,225,446.82,3.809,4,0.515,0.88,1.0,0.41084401343293814,0.5396305942019053,0.95032896991296,0.8739291343979165,0.69368317798643
EOS-3-00175,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nc4)n23)nc1,KPBSQCKRDMXDDF-UHFFFAOYSA-N,3,1,0.34,63,169,428.456,1.844,5,0.527,0.85,0.998,0.021528682064286205,0.0033496676033171135,0.001079432526900144,0.0009680625042834624,0.00673146117469673
EOS-3-00176,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)c(F)n1,QDUKMWLUDOCVOY-UHFFFAOYSA-N,3,1,0.433,0,751,461.457,1.824,5,0.461,0.92,1.0,0.12522274004523337,0.05005654170379001,0.007470358440134329,0.012327804811184976,0.04876936125008567
EOS-3-00177,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)nc1,USKYSQKCUZMCOG-UHFFFAOYSA-N,3,1,0.33,63,686,444.455,1.08,5,0.495,0.86,1.0,0.025820711397436778,0.0001713384963333562,0.002193132753066959,0.0014135425947501884,0.00739968131039682
EOS-3-00178,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nc4)n23)nc1,PYRHRKCJAULEQX-UHFFFAOYSA-N,3,1,0.327,63,782,454.494,2.376,6,0.492,0.88,1.0,0.028313686519087108,0.00711911452265095,0.0005654170379000754,0.001619148790350216,0.009404341717497088
EOS-3-00179,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)c(Cl)c1,PWXNJBCDKFTLSN-UHFFFAOYSA-N,3,1,0.51,0,901,462.897,2.683,5,0.498,0.91,1.0,0.15848810910835445,0.09924782400109657,0.034044959221437875,0.10577582071139743,0.09938917826057159
EOS-3-00180,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)nc1,ZWTWZLVUKAEELT-UHFFFAOYSA-N,3,1,0.293,63,759,432.419,1.402,5,0.518,0.85,0.997,0.24387464875608253,0.15081214447262012,0.023713247892536496,0.023516208621753135,0.11047906243574807
EOS-3-00181,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)cn1,PYUOHIZWUQEXOM-UHFFFAOYSA-N,3,1,0.394,63,829,444.455,1.08,5,0.495,0.89,1.0,0.03180899184428757,0.0010622986772668083,0.0015420464670002057,0.0008566924816667809,0.008817507367555343
EOS-3-00182,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)nc1,XDXWLKOWZPHYLX-UHFFFAOYSA-N,3,1,0.286,63,759,454.494,2.376,6,0.492,0.86,0.996,0.04307449797820574,0.004060722363100541,0.0006939209101500926,0.0020046604071002672,0.012458450414639161
EOS-3-00183,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cc1F,PZZBFGVRTUFJML-UHFFFAOYSA-N,3,1,0.366,0,175,431.431,2.327,5,0.53,0.88,0.988,0.10666678089233089,0.08683434994174491,0.006468028236584196,0.028090946473853746,0.05701502638612843
EOS-3-00184,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)c(F)c1,ULGZAZCGAYQAMK-UHFFFAOYSA-N,3,1,0.416,66,9,439.401,3.141,5,0.496,0.87,1.0,0.19723631005414297,0.35681241861421426,0.4421732574874923,0.4905506819272154,0.3716931670207662
EOS-3-00185,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)c4)n23)nc1,IFLIUWHQSQLGIZ-UHFFFAOYSA-N,3,1,0.406,63,108,437.41,2.99,5,0.474,0.93,0.985,0.37302104036734973,0.21032657117401138,0.3683434994174491,0.3391645534918786,0.3227139161126722
EOS-3-00186,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cn1,IIHULGUIVMMKPB-UHFFFAOYSA-N,3,1,0.415,0,829,469.505,2.218,6,0.477,0.96,1.0,0.08685148379137825,0.001884723459666918,0.0026129120690836817,0.0069734768007675965,0.02458064903022411
EOS-3-00187,Cc1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)ccc1C(=O)NC1CC1,GAQIYFMGPNAAMM-UHFFFAOYSA-N,3,1,0.37,66,5,453.428,3.392,5,0.498,0.89,1.0,0.23311459118634775,0.27164861901171955,0.5853351380988281,0.4846909053526146,0.39369731341237746
EOS-3-00188,N#Cc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1Cl,VJGVRLYEAZIIRG-UHFFFAOYSA-N,3,1,0.438,63,334,429.871,3.194,5,0.521,0.87,1.0,0.2546347063258173,0.29769207045438967,0.29436810362552257,0.3999040504420533,0.3116497327119457
EOS-3-00189,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)cc1,FWRJHVMSRPOVEK-UHFFFAOYSA-N,3,1,0.406,66,264,438.413,3.688,5,0.514,0.88,1.0,0.32609999314646015,0.2820145980398876,0.8279761496813104,0.7757007744500034,0.5529478788294153
EOS-3-00190,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)nc4)n23)nc1,YCITUPQJIQDVMJ-UHFFFAOYSA-N,3,1,0.294,63,169,432.419,1.402,5,0.518,0.87,0.998,0.20553766020149408,0.18294667945994106,0.019018573093002537,0.019532588582002606,0.10675887533411008
EOS-3-00191,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cc(Br)ccn4)n23)cc1,TWMBDPNMKNCDAS-UHFFFAOYSA-N,3,1,0.456,66,646,437.301,3.094,4,0.519,0.85,1.0,0.3137122198615585,0.22566993352066342,0.2762404907134535,0.2182509766294291,0.2584684051812762
EOS-3-00192,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)cc1,IZEIGNGMRXKGET-UHFFFAOYSA-N,3,1,0.354,66,437,425.374,3.159,5,0.539,0.91,1.0,0.2165461585909122,0.2203755739839627,0.6903570694263587,0.6563463779041875,0.44590629497635526
EOS-3-00193,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)cc1Cl,WUFGOPVIOIVGDN-UHFFFAOYSA-N,3,1,0.431,0,175,463.885,2.078,5,0.49,0.9,1.0,0.14167980261805221,0.06921218559385924,0.011171269960934822,0.04211500239873895,0.0660445651428963
EOS-3-00194,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,CTFALMPTVNMSJX-UHFFFAOYSA-N,3,1,0.34,0,688,431.431,2.244,5,0.501,0.88,1.0,0.26016037283256804,0.24106469741621547,0.13070557192790075,0.1394781029401686,0.19285218627921322
EOS-3-00195,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cn4)n23)cc1,YJQVFSJQCFRNRY-UHFFFAOYSA-N,3,1,0.387,0,175,427.468,2.578,5,0.535,0.87,1.0,0.053774587074223834,0.003358234528133781,0.0017819203618669043,0.003975053114933864,0.015722448769789597
EOS-3-00196,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)cc1F,JKAVFCBHBQVICJ-UHFFFAOYSA-N,3,1,0.39,66,685,438.413,3.746,5,0.496,0.9,0.998,0.28979336577342196,0.3663217051607155,0.6658642313755054,0.6828438763621411,0.501205794667946
EOS-3-00197,CN1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)nc2)CC1,BNTMSRJNORJPIX-UHFFFAOYSA-N,3,1,0.376,63,175,443.471,0.735,5,0.488,0.85,1.0,0.016765471866218903,0.0011822356247001577,0.0005739839627167432,0.0003341100678500445,0.0047139503803714615
EOS-3-00198,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cn1,GGWPQDKWAJYPEL-UHFFFAOYSA-N,3,1,0.442,0,829,469.505,2.218,6,0.477,0.95,1.0,0.08938729353711192,0.0012850387225001713,0.0027499828661503665,0.006982043725584264,0.025101089712836682
EOS-3-00199,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)nc1,REVMCCHGARMFFD-UHFFFAOYSA-N,3,1,0.351,63,505,439.401,3.083,5,0.513,0.84,1.0,0.16120382427523816,0.21033513809882803,0.6606641080117881,0.6216846000959496,0.413471917620451
EOS-3-00200,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4C)n23)nc1,DBVNJSIGVQHASH-UHFFFAOYSA-N,3,1,0.367,63,686,457.494,1.994,5,0.498,0.9,0.999,0.04308306490302241,0.0003940785415667192,0.006476595161400864,0.0058169419505174425,0.01394267013912686
EOS-3-00201,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nn4)n23)c(F)c1,HNVINIZABMLWRN-UHFFFAOYSA-N,3,1,0.398,63,9,423.839,2.857,5,0.53,0.87,1.0,0.21655472551572888,0.307741073264341,0.2080306353231444,0.36836063326708246,0.27517176684257416
EOS-3-00202,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)cn1,HQVSPNPHPOHIAD-UHFFFAOYSA-N,3,1,0.326,63,175,458.457,1.934,6,0.485,0.92,0.793,0.2843276677403879,0.20104859159756014,0.00954355424576794,0.025280995133986704,0.13005020217942567
EOS-3-00203,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)nc1,QODZWZYBDSCVFO-UHFFFAOYSA-N,3,1,0.578,63,683,434.887,3.353,5,0.479,0.92,1.0,0.49864642587896646,0.33201117126996094,0.22190048660132958,0.33917312041669523,0.34793280104173807
EOS-3-00204,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nc1,JSATVVUXVPKICU-UHFFFAOYSA-N,3,1,0.607,90,683,426.839,2.96,4,0.509,0.87,1.0,0.6254454800904667,0.37102494688506615,0.5981169899252964,0.5403073812624221,0.5337236995408128
EOS-3-00205,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)nc1,OGISJJPHNDSVTP-UHFFFAOYSA-N,3,1,0.522,63,683,434.887,3.353,5,0.479,0.91,1.0,0.4664519224179289,0.292680419436639,0.20803920224796107,0.32950106229867726,0.32416815160030155
EOS-3-00206,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)c(F)c1,QNBKQNSYIQHRPP-UHFFFAOYSA-N,3,1,0.42,63,568,424.827,2.252,5,0.523,0.86,1.0,0.2137533411006785,0.2926889863614557,0.09304537043382907,0.21271674319786169,0.20305111027345624
EOS-3-00207,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)nc1,BAGJOEMMLJPKHN-UHFFFAOYSA-N,3,1,0.354,63,505,440.389,2.478,5,0.508,0.83,1.0,0.15849667603317114,0.2256785004454801,0.4055410869714207,0.3520920430402303,0.28545207662257555
EOS-3-00208,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4F)n23)nc1,HPHJQIFTDGCRMP-UHFFFAOYSA-N,3,1,0.411,0,686,461.457,1.824,5,0.493,0.88,0.998,0.09667774655609622,0.015540401617435405,0.013295867315468439,0.025289562058803373,0.03770089438695086
EOS-3-00209,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nc4)n23)nc1,OCGRNDHTVXZQRW-UHFFFAOYSA-N,3,1,0.349,63,108,425.374,3.159,5,0.539,0.9,1.0,0.23873449386608184,0.3180984853676924,0.6658727983003221,0.5916575286135289,0.4535908265369063
EOS-3-00210,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4F)n23)nc1,XYLLUIDZENRSTG-UHFFFAOYSA-N,3,1,0.321,0,782,459.485,2.978,5,0.503,0.88,0.994,0.05541086971420739,0.05773250633952436,0.004309163182783908,0.01661126721951888,0.03351595161400864
EOS-3-00211,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)nc1,GOEHJGVZWLLRLY-UHFFFAOYSA-N,3,1,0.392,63,108,439.838,2.845,5,0.492,0.88,0.998,0.4569940374203276,0.3469947227743129,0.1939808786238092,0.30468268110479063,0.32566307998081007
EOS-3-00212,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cncc(C(F)(F)F)c4)n23)nc1,YARIPURHPFJHAT-UHFFFAOYSA-N,3,1,0.351,63,505,439.401,3.083,5,0.513,0.85,0.99,0.15303954492495375,0.2203841409087794,0.7061459118634775,0.662317524501405,0.4354717805496539
EOS-3-00213,CC(C)(O)c1ncc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)cn1,GBJMPASOMHVZIG-UHFFFAOYSA-N,3,1,0.348,78,701,443.511,3.102,5,0.516,0.88,1.0,0.02271091768898636,0.006433760537317525,0.001927558083750257,0.0025529435953670072,0.008406294976355286
EOS-3-00214,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)cc1,DOLVAILEXANXKE-UHFFFAOYSA-N,3,1,0.286,0,782,457.469,2.539,6,0.494,0.88,1.0,0.2733363032006031,0.1431533136865191,0.030249811527654033,0.08411006785004455,0.13271237406620517
EOS-3-00215,COCc1nc(-c2cncc3nnc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)nn1C,QUHURFDETSSWBA-UHFFFAOYSA-N,3,1,0.362,78,701,432.488,2.359,5,0.477,0.94,0.929,0.003666643821533822,0.003366801452950449,8.56692481666781e-05,0.0002056061956000274,0.0018311801795627442
EOS-3-00216,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)F)nc4)n23)cc1F,PYSFZEJWUHHRCE-UHFFFAOYSA-N,3,1,0.385,63,306,439.401,3.141,5,0.496,0.87,1.0,0.22774312932629703,0.3420259063806456,0.38743917483380164,0.42220375573983965,0.344852991570146
EOS-3-00217,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,FXFWWEJPKZDTSC-UHFFFAOYSA-N,3,1,0.394,0,862,430.443,2.849,5,0.507,0.9,1.0,0.2898019326982386,0.3228359947913097,0.30534233431567404,0.28910801178808854,0.3017720683983277
EOS-3-00218,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cn4)n23)cc1F,AYPTYGRGKLQXAN-UHFFFAOYSA-N,3,1,0.345,0,175,457.469,2.731,6,0.494,0.88,1.0,0.2656175039407854,0.18731581111644163,0.0070934137482009454,0.04212356932355562,0.1255375745322459
EOS-3-00219,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cn1,UNIBRHRYSFPKAL-UHFFFAOYSA-N,3,1,0.395,68,455,440.389,2.478,5,0.508,0.87,1.0,0.24147590980741554,0.30264375299842367,0.3762250702487835,0.3295096292234939,0.31246359056952916
EOS-3-00220,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)n23)nc1,JJZIIJGPMUEWQS-UHFFFAOYSA-N,3,1,0.393,0,686,447.43,1.564,5,0.503,0.87,0.997,0.082448084435611,0.012841820300185046,0.010597285998218079,0.028099513398670412,0.033496676033171136
EOS-3-00221,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cc4)n23)cn1,RIPJVRFMMMJVAS-UHFFFAOYSA-N,3,1,0.349,0,21,431.431,2.136,5,0.529,0.82,1.0,0.07392399424302652,0.035998218079638135,0.02372181481735316,0.05529093276677404,0.04723373997669797
EOS-3-00222,Cc1cc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)ccc1C(=O)NC1CC1,CJMVMQNSHFESCY-UHFFFAOYSA-N,3,1,0.371,66,264,453.428,3.392,5,0.498,0.9,1.0,0.24388321568089918,0.2307586868617641,0.5660509903365089,0.4815040093208142,0.3805492255499966
EOS-3-00223,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cc1,COGSKEUXZHXCOJ-UHFFFAOYSA-N,3,1,0.43,66,264,427.39,2.941,4,0.526,0.85,1.0,0.2981118497704064,0.27686587622507025,0.7112260982797615,0.47548146117469675,0.44042132136248374
EOS-3-00224,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cc1,DXGQGUPPMATELK-UHFFFAOYSA-N,3,1,0.4,66,264,438.413,3.688,5,0.514,0.87,1.0,0.3777928174902337,0.3274878349667603,0.7903759166609554,0.6968679322870263,0.548131125351244
EOS-3-00225,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)cc1,QJTWMQFSEKINCE-UHFFFAOYSA-N,3,1,0.398,0,829,469.505,2.218,6,0.477,0.92,1.0,0.05541943663902406,0.0011908025495168254,0.0026214789939003496,0.006990610650400932,0.016555582208210542
EOS-3-00226,N#Cc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc1Cl,MUNYKFMSCFNVEK-UHFFFAOYSA-N,3,1,0.41,63,306,447.861,3.333,5,0.502,0.86,1.0,0.2656260708656021,0.33694571996436157,0.43864368446302515,0.5759714892742102,0.4042967411417997
EOS-3-00227,N#Cc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)n23)ccc1F,RJPGTWPFCCSWFW-UHFFFAOYSA-N,3,1,0.41,63,306,447.861,3.333,5,0.502,0.86,1.0,0.2843362346652046,0.3614299910903982,0.43475430059625797,0.5792954561030772,0.41495399561373447
EOS-3-00228,Cc1nc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(C(=O)N4CC(F)C4)cc3)n12,JUCRQOJMXWFVMH-UHFFFAOYSA-N,3,1,0.324,0,901,431.431,2.055,5,0.528,0.87,1.0,0.24690734014118293,0.20554622712631074,0.03529573024467137,0.04592728394215612,0.1334191453635803
EOS-3-00229,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cn1,JUSKVVRTLNPLSN-UHFFFAOYSA-N,3,1,0.415,66,455,439.401,3.083,5,0.513,0.88,1.0,0.28711191830580496,0.34203447330546227,0.582216777465561,0.4999400315262833,0.42782580015077787
EOS-3-00230,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nn4)n23)cn1,PLSPYNJZKAUODH-UHFFFAOYSA-N,3,1,0.376,63,546,443.471,1.629,5,0.503,0.84,1.0,0.02271948461380303,0.005380028784867384,0.00011137002261668152,4.283462408333905e-05,0.007063429511342609
EOS-3-00231,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)nc1,YHFAPUORSKHYMQ-UHFFFAOYSA-N,3,1,0.36,63,686,444.455,1.08,5,0.495,0.86,1.0,0.019558289356452607,0.000539716263450072,0.001790487286683572,0.001122267150983483,0.005752690014392434
EOS-3-00232,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1,FXHKREARYQURGX-UHFFFAOYSA-N,3,1,0.484,90,536,438.85,3.45,5,0.495,0.9,1.0,0.6764529504489069,0.43673326022890824,0.38744774175861835,0.4846994722774313,0.4963333561784662
EOS-3-00233,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc1,ATBGWGXDGYRXLJ-UHFFFAOYSA-N,3,1,0.326,63,66,440.467,2.033,6,0.47,0.9,1.0,0.16926530052772257,0.10263175930368035,0.010023302035501336,0.01892433692001919,0.07521117469673086
EOS-3-00234,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cc1F,RCRLBMMVKUADPJ-UHFFFAOYSA-N,3,1,0.376,0,21,458.497,3.583,5,0.494,0.92,1.0,0.13650538002878487,0.09630080186416284,0.016542731820985538,0.056747309985607564,0.0765240559248852
EOS-3-00235,Cc1cc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)ccc1C(=O)NC1CC1,SNYAGGJHHNZFQE-UHFFFAOYSA-N,3,1,0.37,66,334,435.438,3.31,5,0.499,0.87,1.0,0.19180487972037558,0.1468199575080529,0.28730039065177165,0.29825748749228975,0.23104567884312247
EOS-3-00236,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(C(N)=O)cc(Cl)c4F)n23)cc1,MEGGCOAFAZAHBU-UHFFFAOYSA-N,3,1,0.451,0,646,438.85,2.633,4,0.497,0.84,1.0,0.3730296072921664,0.3901720238503187,0.6404632992940854,0.5304040161743541,0.48351723665273116
EOS-3-00237,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)cc1,ALDXPQOQKDVUOK-UHFFFAOYSA-N,3,1,0.363,0,901,448.433,2.909,5,0.518,0.85,1.0,0.3162223288328422,0.24107326434103216,0.33840209718319514,0.3295181961483106,0.30630397162634504
EOS-3-00238,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(F)c1,ZAGQYRVZALBUIZ-UHFFFAOYSA-N,3,1,0.364,63,437,431.431,2.244,5,0.501,0.88,1.0,0.20017476526626002,0.28202316496470425,0.15494140223425398,0.15171167157837023,0.19721275101089714
EOS-3-00239,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)c(C)c1,JOSCCCQYSOBUKP-UHFFFAOYSA-N,3,1,0.374,0,175,457.494,1.994,5,0.498,0.86,1.0,0.08686005071619492,0.001070865602083476,0.006073949695017476,0.005320060311150709,0.02483123158111164
EOS-3-00240,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)cc1,KUFBOUBMNKODCI-UHFFFAOYSA-N,3,1,0.543,68,900,429.362,2.539,4,0.52,0.84,1.0,0.8883215680899185,0.577496401891577,0.7294308135151806,0.4189397573846892,0.6535471352203412
EOS-3-00241,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nn4)n23)cc1F,VGMWNVMBNNPJMV-UHFFFAOYSA-N,3,1,0.426,0,546,448.418,0.959,5,0.487,0.85,1.0,0.09668631348091289,0.02990713453498732,0.0030840929340004114,0.00754746076348434,0.034306250428346244
EOS-3-00242,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)cn4)n23)cc1F,SRDPIIUQDQXXNC-UHFFFAOYSA-N,3,1,0.384,63,306,423.839,2.857,5,0.53,0.86,1.0,0.2787248989102872,0.3320197381947776,0.22529298882873003,0.3811596189431842,0.30429931121924475
EOS-3-00243,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4Cl)n23)cc1,YKCFNOYKOSVHOE-UHFFFAOYSA-N,3,1,0.398,0,21,460.925,3.707,5,0.501,0.9,1.0,0.15572099239257076,0.13581145911863476,0.02373038174216983,0.09342231512576246,0.10217128709478446
EOS-3-00244,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cn1,MYGVPIFMIUNFGC-UHFFFAOYSA-N,3,1,0.395,66,455,440.389,2.478,5,0.508,0.88,1.0,0.18901206223014186,0.2560482489205675,0.35725789870468094,0.32628846549242685,0.2821516688369543
EOS-3-00245,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(=O)N5CCCC5)nc4)n23)cc1,RHNQIOZSKNJJKN-UHFFFAOYSA-N,3,1,0.415,63,701,468.521,2.3,6,0.461,0.91,1.0,0.07207353848262628,0.004908847919950655,0.00030840929340004113,0.0008652594064834487,0.019539013775615104
EOS-3-00246,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1Cl,JCINHHMSXAHIGK-UHFFFAOYSA-N,3,1,0.371,0,862,446.898,3.364,5,0.489,0.93,1.0,0.31372078678637516,0.3420430402302789,0.3053509012404907,0.34874237543691317,0.3274642759235145
EOS-3-00247,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)cn1,HNGBDTLNGZPOSR-UHFFFAOYSA-N,3,1,0.359,0,21,442.523,3.707,5,0.518,0.94,1.0,0.045875882393256115,0.01704818038516894,0.011745253923651566,0.027080049345486943,0.02543734151189089
EOS-3-00248,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cc1,WAWSMPLLCKUARD-UHFFFAOYSA-N,3,1,0.658,66,12,428.374,3.144,4,0.525,0.87,1.0,0.8709221437872661,0.530429716948804,0.9178945925570557,0.7110290590089782,0.757568878075526
EOS-3-00249,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4Cl)n23)nc1,ASFQSMJLAKDBQE-UHFFFAOYSA-N,3,1,0.33,63,862,447.886,2.759,5,0.486,0.89,0.996,0.19181344664519223,0.22039270783359605,0.15494996915907067,0.19237029675827566,0.18988160509903365
EOS-3-00250,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)nc4)n23)cn1,XFISADPGFPSUML-UHFFFAOYSA-N,3,1,0.353,63,169,432.419,1.402,5,0.518,0.86,0.993,0.21656329244054554,0.1915907065999589,0.015805976286752108,0.01661983414433555,0.11014495236789802
EOS-3-00251,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)nc1,HWASFWVRBAIGIZ-UHFFFAOYSA-N,3,1,0.581,63,683,434.887,3.353,5,0.479,0.91,1.0,0.4763981221300802,0.3026523199232404,0.20804776917277773,0.3328421629771777,0.32998509355081906
EOS-3-00252,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)cn1,NOKUOZGRSLOOPH-UHFFFAOYSA-N,3,1,0.349,0,688,449.421,2.304,5,0.513,0.86,1.0,0.27580357754780344,0.2716571859365362,0.15495853608388732,0.16493043657048867,0.2168374340346789
EOS-3-00253,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)nc1,REGCIDGVSOECOW-UHFFFAOYSA-N,3,1,0.454,63,108,435.875,2.748,5,0.475,0.89,1.0,0.42706120211089027,0.287291823726955,0.11083887327804812,0.19237886368309232,0.2543926906997464
EOS-3-00254,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Br)c4)n23)cc1,WNSDVXUODMRTHM-UHFFFAOYSA-N,3,1,0.543,23,646,442.704,3.897,4,0.519,0.86,1.0,0.3546107189363306,0.38073127270235074,0.7968610787471729,0.7966640394763895,0.582216777465561
EOS-3-00255,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)nc1,QFKXOANZBMIZNT-UHFFFAOYSA-N,3,1,0.462,63,108,437.41,2.99,5,0.474,0.9,0.988,0.3684206017407991,0.16246316222328833,0.35726646562949765,0.3262970324172435,0.3036118155027071
EOS-3-00256,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cc4)n23)nc1,QKQUYXMBZANIRJ-UHFFFAOYSA-N,3,1,0.312,0,825,431.431,2.136,5,0.529,0.85,1.0,0.0490199438009732,0.015548968542252073,0.028065245699403742,0.06432047152354191,0.03923865739154273
EOS-3-00257,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nn4)n23)c(F)c1,NWAHLDXRCLKLCQ-UHFFFAOYSA-N,3,1,0.394,0,546,446.446,2.112,5,0.508,0.85,0.999,0.06265848810910836,0.08990130902611199,0.0011993694743334933,0.0043348639572339115,0.03952350764169693
EOS-3-00258,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1C,XQAQCQAWZXGIQQ-UHFFFAOYSA-N,3,1,0.341,0,862,426.48,3.019,5,0.511,0.95,1.0,0.22198615584949627,0.07297306558837639,0.17747241450209034,0.13476629429100132,0.1517994825577411
EOS-3-00259,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)nc4)n23)c(Cl)c1,MKPJICNNZQXPHD-UHFFFAOYSA-N,3,1,0.392,0,169,433.859,2.452,5,0.528,0.84,1.0,0.1665410184360222,0.2010571585223768,0.009552121170584607,0.04593585086697279,0.1057715372489891
EOS-3-00260,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cn1,UDLMLSSEKFSEKL-UHFFFAOYSA-N,3,1,0.374,63,175,442.483,2.186,5,0.476,0.9,0.998,0.03057535467068741,0.007795901583167706,0.0007538893838667671,0.0003426769926667124,0.009866955657597149
EOS-3-00261,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(N5CCC(F)C5)nc4)n23)c(F)c1,XNOXWKRTGRTXHZ-UHFFFAOYSA-N,3,1,0.343,63,437,436.426,2.295,5,0.524,0.77,1.0,0.1389983551504352,0.13964944143650196,0.040847097525872116,0.08953293125899527,0.10225695634295114
EOS-3-00262,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cc1,LFSXADSHQLDPGU-UHFFFAOYSA-N,3,1,0.449,0,688,424.386,3.764,5,0.539,0.93,1.0,0.3286786375162772,0.3568209855390309,0.822519018573093,0.7531868960318004,0.5653013844150503
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EOS-3-00264,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(F)c(C#N)n3)n12,KGJDHMSHMQTHEF-UHFFFAOYSA-N,3,1,0.379,63,334,427.443,2.989,5,0.524,0.87,1.0,0.19182201357000891,0.2356846686313481,0.2873089575765883,0.32309300253580975,0.2594771605784387
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EOS-3-00267,CCOc1ncc(F)c(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,YATGHPRKCAXOIU-UHFFFAOYSA-N,3,1,0.393,63,334,433.447,2.602,5,0.477,0.86,1.0,0.40207148242067026,0.22568706737029676,0.050699061065040095,0.0552994996915907,0.18343927763689943
EOS-3-00268,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cncc(Br)c4)n23)cc1,PEOALZZOOLUIBS-UHFFFAOYSA-N,3,1,0.351,0,437,435.285,3.508,5,0.531,0.86,1.0,0.16121239120005482,0.1093225275854979,0.23989102871633197,0.35503049825234734,0.216364111438558
EOS-3-00269,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4F)n23)cc1,MLAOJOZTBJFHMX-UHFFFAOYSA-N,3,1,0.381,0,901,448.433,2.751,5,0.518,0.83,1.0,0.3570265917346309,0.29269755328627234,0.3016842574189569,0.3231015694606264,0.3186274929751216
EOS-3-00270,Cc1cc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)ccc1C(=O)NC1CC1,ZUMWPYFWQYSQNU-UHFFFAOYSA-N,3,1,0.388,63,568,420.864,2.421,5,0.527,0.89,1.0,0.19183058049482557,0.17023336303200604,0.037994311561921734,0.08070899869782742,0.12019181344664519
EOS-3-00271,N#Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc1F,FAIWUGNOFAVFIG-UHFFFAOYSA-N,3,1,0.433,0,685,430.418,3.424,5,0.523,0.88,1.0,0.3384363648824618,0.3807484065519841,0.7321893633061476,0.7966726064012062,0.56201168528545
EOS-3-00272,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)cn1,RBSASVSJIUAMFJ-UHFFFAOYSA-N,3,1,0.394,63,686,430.428,0.82,5,0.501,0.86,0.999,0.025829278322253443,0.0006510862860667534,0.0015506133918168734,0.001302172572133507,0.007333287643067644
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EOS-3-00276,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)nc1,CBVLHBXBZFAROY-UHFFFAOYSA-N,3,1,0.419,63,683,438.85,3.45,5,0.495,0.89,1.0,0.49612774998286613,0.38075697347680076,0.4386522513878418,0.5569272154067576,0.4681160475635666
EOS-3-00277,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)c(F)c4)n23)nc1,CDMLFLCLWQFYBI-UHFFFAOYSA-N,3,1,0.305,0,825,453.384,2.182,5,0.506,0.83,0.884,0.2981204166952231,0.36143855801521485,0.2836166129806045,0.3619954081282983,0.3262927489548352
EOS-3-00278,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)cc1F,QDTZESOYBHVBSS-UHFFFAOYSA-N,3,1,0.37,0,901,466.423,3.048,5,0.499,0.9,1.0,0.35020731958056334,0.41855424576793915,0.4737595092865465,0.4935148379137825,0.43400897813720785
EOS-3-00279,Cc1cc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)ccc1C(=O)NC1CC1,DHHHIEBUKOQTDE-UHFFFAOYSA-N,3,1,0.376,63,334,434.45,3.915,5,0.497,0.91,1.0,0.16927386745253922,0.14316188061133575,0.5292303474744706,0.5339164553491879,0.34389563772188336
EOS-3-00280,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nn4)n23)cn1,MYVJJFHWEYZZJV-UHFFFAOYSA-N,3,1,0.38,63,546,429.444,1.239,5,0.513,0.86,1.0,0.03439620313892125,0.005928311973134124,0.0001970392707833596,0.00013707079706668494,0.010164656294976353
EOS-3-00281,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC5CCOCC5)cn4)n23)cc1,FHKLLGCQYBKYLT-UHFFFAOYSA-N,3,1,0.359,0,175,430.468,2.771,5,0.519,0.86,1.0,0.18902062915495854,0.020432115687752724,0.10830306353231443,0.11965423891439929,0.10935251182235625
EOS-3-00282,N#Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)ccc1F,ZZCLOUJJLPRILD-UHFFFAOYSA-N,3,1,0.51,0,751,442.454,2.865,5,0.482,0.92,1.0,0.20282194503461037,0.12183880474264958,0.14901309026111986,0.307792474813241,0.1953665787129052
EOS-3-00283,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cc1,OGZQJAARFFQQJX-UHFFFAOYSA-N,3,1,0.43,66,455,427.39,2.941,4,0.526,0.83,1.0,0.27089472962785277,0.3077496401891577,0.7294393804399972,0.4784199163868138,0.4466259166609554
EOS-3-00284,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)cc1,HKKVHCUFMGFZSE-UHFFFAOYSA-N,3,1,0.354,0,175,449.421,2.304,5,0.513,0.83,1.0,0.30821225412925773,0.23569323555616475,0.18060790898499074,0.18406037968610786,0.2271434445891303
EOS-3-00285,Cc1cc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCC5)nn4)n23)ccc1C(=O)NC1CC1,CUGFKCZZGBXXPT-UHFFFAOYSA-N,3,1,0.404,63,334,468.521,2.219,6,0.461,0.94,1.0,0.1530481118497704,0.020440682612569393,0.0008566924816667809,0.0017133849633335619,0.04401471797683504
EOS-3-00286,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(C)CC5)cc4)n23)nc1,YYYVSEZRHVWHPY-UHFFFAOYSA-N,3,1,0.3,0,782,455.522,3.085,5,0.507,0.89,1.0,0.035629840312521414,0.003718045370433829,0.0060825166198341446,0.011488246179151531,0.01422966212048523
EOS-3-00287,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)cc1F,MMJAXNRUTBYTLM-UHFFFAOYSA-N,3,1,0.34,66,306,443.364,3.298,5,0.486,0.89,1.0,0.2871204852306216,0.3807655404016174,0.777414159413337,0.7481581111644164,0.548364574052498
EOS-3-00288,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cc1F,GRDZPKVZVRJLFH-UHFFFAOYSA-N,3,1,0.411,66,225,430.365,3.295,4,0.503,0.88,1.0,0.4199592214378727,0.5033496676033171,0.9491381673634433,0.8561356315536974,0.6821456719895826
EOS-3-00289,Cc1nc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(C(=O)N4CC(F)C4)cc3F)n12,TVHHAPMWZJJYKM-UHFFFAOYSA-N,3,1,0.336,0,688,449.421,2.194,5,0.51,0.86,0.909,0.26802480981426907,0.2716657528613529,0.08613186210677815,0.12839250222740045,0.18855373175245016
EOS-3-00290,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nc4)n23)cc1,PWXNRDBPAFTKTJ-UHFFFAOYSA-N,3,1,0.375,0,701,467.533,3.372,6,0.482,0.92,1.0,0.04164382153382222,0.004917414844767322,0.0009509286546501268,0.004343430882050579,0.012963898978822563
EOS-3-00291,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(Cl)cnc4F)n23)c(F)c1,ISFLQYKWHRXLCJ-UHFFFAOYSA-N,3,1,0.412,63,9,440.841,3.601,5,0.479,0.89,1.0,0.252321636625317,0.38521177438146803,0.5660595572613255,0.7080477691727778,0.4779101843602221
EOS-3-00292,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)C5)nc4)n23)cc1,HYILENBJEYKBKH-UHFFFAOYSA-N,3,1,0.351,0,169,463.448,2.694,5,0.499,0.86,1.0,0.1090312521417312,0.07298163251319306,0.09087793845521212,0.1440785415667192,0.10424234116921391
EOS-3-00293,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nn4)n23)c(F)c1,OUHAOEHQAVOSGJ-UHFFFAOYSA-N,3,1,0.411,63,546,462.445,1.219,5,0.48,0.88,1.0,0.11977417586183263,0.06560551024604208,0.0035981084230004797,0.00637379206360085,0.04883789664861901
EOS-3-00294,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)nc1,XJENWDJYBDOSQQ-UHFFFAOYSA-N,3,1,0.303,63,108,426.362,2.554,5,0.534,0.88,1.0,0.13110821739428416,0.19159927352477554,0.4564029196079775,0.4158042629017888,0.2987286683572065
EOS-3-00295,O=C(NC1CCC1)c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)cc1,FBPFNQDAFKXKJJ-UHFFFAOYSA-N,3,1,0.351,63,437,439.401,3.549,5,0.522,0.9,1.0,0.23039887601946404,0.23076725378658078,0.5593173874306079,0.582448084435611,0.4007329004180659
EOS-3-00296,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)nc1,XIELRYSEPOIFBN-UHFFFAOYSA-N,3,1,0.358,66,505,427.39,2.941,4,0.526,0.82,1.0,0.2331231581111644,0.22569563429511344,0.7774227263381537,0.5854208073469948,0.45541558152285655
EOS-3-00297,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)cc1,HGPXDYDMJYHKGE-UHFFFAOYSA-N,3,1,0.518,63,536,455.4,3.071,5,0.476,0.89,1.0,0.7188249605921458,0.4715406757590295,0.5393050510588719,0.39991261736687,0.5323958261942293
EOS-3-00298,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,XPYXERUTRHGQHV-UHFFFAOYSA-N,3,1,0.333,0,862,427.468,2.495,5,0.489,0.94,1.0,0.13900692207525187,0.04265471866218902,0.0455075046261394,0.03714618600507162,0.06607883284216298
EOS-3-00299,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)cc1Cl,HSUOGSAGEZKZNI-UHFFFAOYSA-N,3,1,0.37,0,901,464.888,3.265,5,0.5,0.9,1.0,0.3662274689877322,0.3663302720855322,0.2908213967514221,0.3781611952573504,0.35038508327050927
EOS-3-00300,Cc1nc(C)c(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1C,CYPJWIMDVMCHFF-UHFFFAOYSA-N,3,1,0.388,63,306,431.475,3.129,5,0.521,0.85,1.0,0.20554622712631074,0.17488520320745665,0.034053526146254544,0.051264478102940166,0.11643735864574052
EOS-3-00301,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)nc1,STQPRJDSQFWFGJ-UHFFFAOYSA-N,3,1,0.495,90,683,426.839,2.96,4,0.509,0.85,1.0,0.5601912137619081,0.3710335138098828,0.5761513946953601,0.5265831677061202,0.5084898224933178
EOS-3-00302,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)cc1,GOEMHBMFPGVZJO-UHFFFAOYSA-N,3,1,0.361,66,999,425.374,3.159,5,0.539,0.88,1.0,0.27873346583510383,0.2410818312658488,0.6606726749366048,0.5946730861489959,0.44379026454663834
EOS-3-00303,Cc1cc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)ccc1C(=O)NC1CC1,SMNADSNBQCFPOT-UHFFFAOYSA-N,3,1,0.369,66,264,452.44,3.997,5,0.495,0.91,1.0,0.32868720444109384,0.30266088684805703,0.7682132821602358,0.6591391953944212,0.514675142210952
EOS-3-00304,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)nc1,WQCGHFHWKKGJSP-UHFFFAOYSA-N,3,1,0.316,0,782,455.522,3.229,5,0.495,0.87,1.0,0.01677403879103557,0.0018932903844835858,0.0017990542115002399,0.0028270851895003768,0.005823367144129943
EOS-3-00305,CC(C)(N)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)cn1,QCHAUARHEDVFOP-UHFFFAOYSA-N,3,1,0.357,0,901,431.475,2.841,5,0.533,0.89,0.995,0.28712905215543827,0.1748937701322733,0.1904941402234254,0.1517202385031869,0.20105930025358099
EOS-3-00306,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5C)nc4)n23)cc1,CMIXSVRMUXDMIX-UHFFFAOYSA-N,3,1,0.34,0,829,455.522,3.228,5,0.507,0.86,1.0,0.07002604345144267,0.02044924953738606,0.007830169282434378,0.01192515934480159,0.027557655404016175
EOS-3-00307,CC1CCCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)C1,XFOKNWZYTWHLTJ-UHFFFAOYSA-N,3,1,0.36,0,169,441.495,2.824,5,0.52,0.82,1.0,0.030583921595504077,0.004549037077650606,0.004797477897333973,0.010485915975601398,0.012604088136522513
EOS-3-00308,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,UVUICPBTVVLSNS-UHFFFAOYSA-N,3,1,0.333,0,862,427.468,2.495,5,0.489,0.92,1.0,0.1833407580015078,0.0615019532588582,0.060054142964841344,0.04455657597148927,0.08736335754917415
EOS-3-00309,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nn4)n23)nc1,CSUBOTVYRCFKQU-UHFFFAOYSA-N,3,1,0.343,63,686,445.443,0.475,5,0.475,0.88,1.0,0.020577753409636076,0.00023130697005003083,0.0005825508875334111,0.0002484408196833665,0.005410013021725721
EOS-3-00310,CC(C)(C)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,HFGCWOHSNJYORB-UHFFFAOYSA-N,3,1,0.34,63,505,428.5,2.757,5,0.52,0.84,1.0,0.07003461037625934,0.036006785004454804,0.01384415050373518,0.004351997806867247,0.03105938592282914
EOS-3-00311,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)cn1,QVVAHYTXLMJHFH-UHFFFAOYSA-N,3,1,0.337,0,701,467.533,3.372,6,0.482,0.96,1.0,0.08031492015626071,0.009954766636967994,0.0009594955794667946,0.004360564731683915,0.023897436776094856
EOS-3-00312,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)cc1,JXHZLYYSLBJCAT-UHFFFAOYSA-N,3,1,0.506,63,536,455.4,3.071,5,0.476,0.9,1.0,0.6115756288122816,0.44964361592762664,0.6633027208553218,0.5759800561990268,0.5751255054485642
EOS-3-00313,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1F,CACXIUTURBZEBG-UHFFFAOYSA-N,3,1,0.375,0,188,448.433,2.988,5,0.489,0.88,1.0,0.32351278185182647,0.3026694537728737,0.44566856281269274,0.46633198547049554,0.38454569597697214
EOS-3-00314,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CC(F)(F)C5)nc4)n23)cc1,AKDHVTGTCPJSAP-UHFFFAOYSA-N,3,1,0.422,0,334,449.421,1.967,5,0.498,0.82,0.998,0.2193732437804126,0.19160784044959223,0.12780995133986703,0.1542731820985539,0.17326605441710644
EOS-3-00315,O=C(c1ccc(-c2cncc3nnc(-c4ccccc4Cl)n23)cc1F)N1CCOCC1,ALTFDUHLDYELSR-UHFFFAOYSA-N,3,1,0.469,0,21,437.862,3.723,5,0.488,0.91,1.0,0.15572955931738744,0.1829552463847577,0.11950003426769927,0.41581282982660545,0.21849941744911247
EOS-3-00316,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)cc1,LLRBZOLWWWIUHX-UHFFFAOYSA-N,3,1,0.413,0,175,469.505,2.218,6,0.477,0.91,1.0,0.09904221780549653,0.0007881570831334384,0.003092659858817079,0.008344184771434445,0.027816804879720377
EOS-3-00317,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cc1,LZJHACBKIVRSJV-UHFFFAOYSA-N,3,1,0.625,66,536,454.412,3.676,5,0.478,0.93,1.0,0.6794171064354739,0.4229833458981564,0.8070471523541909,0.6737286683572065,0.645794068261257
EOS-3-00318,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)nc1C,YEYIXGPFBOLLRM-UHFFFAOYSA-N,3,1,0.327,63,686,458.482,1.389,5,0.486,0.86,1.0,0.027182852443286956,0.000179905421150024,0.0018076211363169078,0.000762456308683435,0.007483208827359331
EOS-3-00319,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1Cl,JTLJJLNAZKHDFV-UHFFFAOYSA-N,3,1,0.33,0,688,447.886,2.759,5,0.486,0.88,1.0,0.29262901788773904,0.28730039065177165,0.13357549174148448,0.17860324857789048,0.22302703721472142
EOS-3-00320,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4)n23)cc1,MQTYSBQWMWVWSF-UHFFFAOYSA-N,3,1,0.421,66,364,427.39,2.941,4,0.526,0.83,1.0,0.3335960523610445,0.3077582071139744,0.6434188883558358,0.3748372284284833,0.4149025940648345
EOS-3-00321,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)cc1F,XTNMHNFEEBYWMJ-UHFFFAOYSA-N,3,1,0.385,66,685,438.413,3.746,5,0.496,0.87,1.0,0.2601689397573847,0.3470032896991296,0.684908505242958,0.7294822150640806,0.5053907374408882
EOS-3-00322,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1C,WWIJTVOQVVSZLD-UHFFFAOYSA-N,3,1,0.313,63,688,427.468,2.414,5,0.506,0.9,1.0,0.2277516962511137,0.03885957096840518,0.06616236035912548,0.04734939346172298,0.09503075526009183
EOS-3-00323,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)cc1Cl,NHGZAZBLMISADV-UHFFFAOYSA-N,3,1,0.33,0,175,465.876,2.66,5,0.496,0.87,1.0,0.35461928586114727,0.327496401891577,0.1458176273045028,0.22385374545952985,0.26294676512918924
EOS-3-00324,NC(=O)c1ccc(F)c(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c1,NPGPIANXDNSNQC-UHFFFAOYSA-N,3,1,0.398,0,685,448.433,2.651,5,0.471,0.86,1.0,0.2787420327599205,0.27167431978616957,0.4347628675210746,0.4693646768555959,0.36363597423069016
EOS-3-00325,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)nc1,LDJZWJHUTYSWPA-UHFFFAOYSA-N,3,1,0.432,63,108,437.41,2.99,5,0.474,0.88,1.0,0.32099410595572614,0.19618257830169283,0.37623363717360014,0.3748457953533,0.3170640291960798
EOS-3-00326,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)nc1,CGDLJGPENZZRKU-UHFFFAOYSA-N,3,1,0.443,63,108,435.875,2.748,5,0.475,0.86,0.999,0.4570026043451443,0.30776677403879105,0.08614042903159481,0.15172880542800357,0.2506596532108834
EOS-3-00327,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ncc(F)cc4F)n23)nc1,QDGJHUFLJRSDBN-UHFFFAOYSA-N,3,1,0.423,63,108,437.41,2.373,5,0.473,0.89,0.999,0.4245939277636899,0.14317044753615243,0.14582619422931944,0.21825954355424576,0.2329625282708519
EOS-3-00328,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)nc1,TUWSXIQBBBRRDC-UHFFFAOYSA-N,3,1,0.591,63,683,436.422,2.978,5,0.479,0.89,1.0,0.4912189020629155,0.11527654033308203,0.39845624014803643,0.4663405523953122,0.3678230587348365
EOS-3-00329,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)cc1,JOPAREUFNUEWMZ-UHFFFAOYSA-N,3,1,0.387,0,175,435.394,2.043,5,0.524,0.81,1.0,0.3057192790076074,0.20106572544719348,0.177480981426907,0.2094955794667946,0.22344039133712562
EOS-3-00330,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)nc1,QTYRPCSUHFVHGP-UHFFFAOYSA-N,3,1,0.351,63,505,439.401,3.083,5,0.513,0.82,0.998,0.21938181070522925,0.25605681584538414,0.6134603522719485,0.5265917346309369,0.4038726783633747
EOS-3-00331,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)nc1,CMZRMLWPYXLHKP-UHFFFAOYSA-N,3,1,0.419,63,683,438.85,3.45,5,0.495,0.88,1.0,0.4912274689877322,0.37599376327873346,0.43866081831265846,0.5633010074703585,0.46729576451237065
EOS-3-00332,O=C(c1ncc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1)N1CCCCC1,HYBZXTOMRQRGJH-UHFFFAOYSA-N,3,1,0.465,78,345,433.903,3.452,5,0.489,0.88,1.0,0.1692824343773559,0.2511479679254335,0.0008652594064834487,0.014281063669385238,0.10889418134466453
EOS-3-00333,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ncc(C(F)(F)F)cn3)n12,ZMTIPHUFTSRUQL-UHFFFAOYSA-N,3,1,0.315,63,437,439.401,3.468,5,0.523,0.88,1.0,0.1416883695428689,0.21533822219176205,0.6714155986567062,0.6188146802823659,0.41181421766842574
EOS-3-00334,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)c(F)c1,JKCMNPYIAXWJOR-UHFFFAOYSA-N,3,1,0.378,0,175,435.394,1.885,5,0.523,0.82,0.996,0.31623089575765884,0.28203173188952096,0.140034953053252,0.19761325474607636,0.23397770886162705
EOS-3-00335,N#Cc1cc(Cl)nnc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,MLUHITWTFKWGMR-UHFFFAOYSA-N,3,1,0.408,63,334,430.859,2.589,5,0.516,0.83,1.0,0.20283051195942706,0.24612774998286616,0.1458347611541361,0.2713402097183195,0.2165333082036872
EOS-3-00336,Cc1cc(-c2nnc3cncc(Cc4ccc(Cl)nn4)n23)ccc1C(=O)NC1CC1,LMYFFZXMHJCTNZ-UHFFFAOYSA-N,3,1,0.366,63,334,419.876,3.026,5,0.534,0.9,1.0,0.2414844767322322,0.1702419299568227,0.10030155575354671,0.18143033376739084,0.1733645740524981
EOS-3-00337,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)cn1,LZSSMUWKIFCKFC-UHFFFAOYSA-N,3,1,0.381,66,455,439.401,3.083,5,0.513,0.84,1.0,0.22490747721197998,0.29270612021108905,0.6309540127475841,0.5975687067370297,0.43653407922692067
EOS-3-00338,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1,PZYCCDBWILHHHI-UHFFFAOYSA-N,3,1,0.409,0,862,430.443,2.849,5,0.507,0.87,1.0,0.3235213487766431,0.30267802069769034,0.32008601192515934,0.29826605441710646,0.31113785895414986
EOS-3-00339,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)ncn1,ZAVWXEFWNGNVHP-UHFFFAOYSA-N,3,1,0.309,74,295,437.467,2.635,6,0.449,0.91,1.0,0.0072390514700842986,0.009123774929751216,0.0885391679802618,0.09543554245767939,0.05008438420944418
EOS-3-00340,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1C,YEYKRIYYCZQEIU-UHFFFAOYSA-N,3,1,0.277,63,108,428.456,1.809,5,0.496,0.91,0.999,0.08939586046192859,0.022650949215269688,0.01732232197930231,0.009363648824617914,0.03468319512027962
EOS-3-00341,CCc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc(C)n1,IRWNESGXGVZBJO-UHFFFAOYSA-N,3,1,0.382,63,334,430.487,3.679,5,0.504,0.92,1.0,0.2028390788842437,0.1961911452265095,0.21467856898087861,0.23577033787951476,0.21236978274278664
EOS-3-00342,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)n4)n23)cc1,MSUSJSLEQPAMJN-UHFFFAOYSA-N,3,1,0.432,0,175,461.457,1.824,5,0.461,0.9,1.0,0.07810465355356042,0.020457816462202728,0.009218011102734562,0.014863614556918649,0.030661023918854086
EOS-3-00343,CNC(=O)c1ccc(-c2nnc3cncc(COc4ccnc(C(F)(F)F)c4)n23)cn1,DVCDDVCBCCZWSS-UHFFFAOYSA-N,3,1,0.442,68,455,429.362,2.539,4,0.52,0.83,1.0,0.6282725652799671,0.6208793091631828,0.7727708861627031,0.49674456856966626,0.6296668322938798
EOS-3-00344,Cc1nc(Cl)cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)n1,PCOVBOFGRSMOTP-UHFFFAOYSA-N,3,1,0.386,63,306,437.866,3.165,5,0.481,0.87,1.0,0.2331317250359811,0.2716828867109862,0.18061647590980742,0.3012387773284902,0.24666746624631625
EOS-3-00345,CN1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)nc2)CC1,BFTKCHMEBUCGSA-UHFFFAOYSA-N,3,1,0.438,0,175,460.473,1.479,5,0.489,0.86,0.998,0.06079089849907477,0.020466383387019397,0.004069289287917209,0.010494482900418066,0.023955263518607363
EOS-3-00346,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)cn4)n23)c(F)c1,MBZLMLLUPRWTLU-UHFFFAOYSA-N,3,1,0.402,63,9,423.839,2.857,5,0.53,0.84,0.999,0.2572904530189843,0.3470118566239463,0.2253015557535467,0.37485436227811664,0.30111455691864847
EOS-3-00347,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,OXKBWMWJHGQHGQ-UHFFFAOYSA-N,3,1,0.341,0,688,457.469,2.777,6,0.46,0.9,1.0,0.2733448701254198,0.23570180248098144,0.0640548968542252,0.1466657528613529,0.17994183058049482
EOS-3-00348,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)nc4)n23)cc1F,NWZQBPZVNUOSCD-UHFFFAOYSA-N,3,1,0.324,0,688,467.411,2.443,5,0.494,0.89,1.0,0.28981049962305533,0.39479816325131933,0.2647693783839353,0.31707902131450894,0.3166142656432047
EOS-3-00349,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cc1)N1CCOCC1,MZASASVZJHENHK-UHFFFAOYSA-N,3,1,0.459,0,751,454.412,3.345,5,0.472,0.92,1.0,0.19183914741964225,0.16624117606743882,0.3572750325543143,0.412703036118155,0.2820145980398876
EOS-3-00350,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cn4)n23)nc1,ATDRRKCOGBHWMW-UHFFFAOYSA-N,3,1,0.304,63,759,428.456,1.973,5,0.525,0.81,0.895,0.007804468507984374,0.0012936056473168392,0.0005911178123500789,0.0008738263313001165,0.0026407545747378523
EOS-3-00351,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)c(F)c1,HHVCPPNTVADSTJ-UHFFFAOYSA-N,3,1,0.408,66,9,438.413,3.746,5,0.496,0.87,1.0,0.23040744294428073,0.3760023302035501,0.6849170721677746,0.7240764855047632,0.5038508327050921
EOS-3-00352,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)c4)n23)nc1,XEEBPTGSDIRHDS-UHFFFAOYSA-N,3,1,0.435,63,683,454.412,3.676,5,0.478,0.94,1.0,0.5688095401274759,0.3998012473442533,0.8299893770132273,0.7661829209786855,0.6411957713659104
EOS-3-00353,Cc1ncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)nc1C,DCRBUUGMWOFIHX-UHFFFAOYSA-N,3,1,0.457,63,536,433.447,2.808,5,0.498,0.89,1.0,0.42930573641285724,0.2927146871359057,0.08614899595641148,0.09150332396682886,0.22491818586800083
EOS-3-00354,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)cn1,GCFZMQWKRWHSPE-UHFFFAOYSA-N,3,1,0.378,63,829,470.493,1.613,6,0.466,0.94,1.0,0.045884449318072784,0.001302172572133507,0.0008738263313001165,0.0015163456925502022,0.01239419847851415
EOS-3-00355,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)cc4)n23)nc1,LOOIMCSCJPWENY-UHFFFAOYSA-N,3,1,0.326,0,782,455.522,3.229,5,0.507,0.87,1.0,0.04016174354053869,0.0059368788979507914,0.0012679048728668357,0.00269858131725036,0.01251627715715167
EOS-3-00356,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1F,QPSBAKNZEHANEZ-UHFFFAOYSA-N,3,1,0.394,0,188,434.406,2.728,5,0.501,0.86,1.0,0.3210026728805428,0.2665341648961689,0.4492409704612432,0.5034781714755672,0.3850639949283805
EOS-3-00357,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(OC)nc(C(F)(F)F)n4)n23)cc1,OXWSKFSFNITVNR-UHFFFAOYSA-N,3,1,0.402,66,264,443.389,2.559,4,0.505,0.8,1.0,0.5770680556507436,0.4541326845315605,0.5790213145089439,0.26563463779041874,0.4689641731204166
EOS-3-00358,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)cn1,FDEOZJITASRSNY-UHFFFAOYSA-N,3,1,0.357,63,175,436.382,1.438,5,0.512,0.81,0.91,0.22199472277431292,0.23077582071139743,0.060062709889658006,0.08411863477486121,0.1492379720375574
EOS-3-00359,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)nc1,PLGPBVNTNTWBOU-UHFFFAOYSA-N,3,1,0.432,63,108,455.4,3.071,5,0.476,0.89,1.0,0.38017442258926737,0.33203687204441096,0.6849256390925913,0.5975772736618463,0.498678551847029
EOS-3-00360,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)cc1F,CEDWDZPUQAKHAB-UHFFFAOYSA-N,3,1,0.349,66,306,443.364,3.298,5,0.486,0.87,1.0,0.1890291960797752,0.3614471249400315,0.8031406346377904,0.7966811733260228,0.537574532245905
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EOS-3-00362,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cn4)n23)cc1Cl,CWFCIMITXJPATN-UHFFFAOYSA-N,3,1,0.398,63,306,439.306,3.976,5,0.509,0.87,1.0,0.2815862517990542,0.29272325406072236,0.38373826331300115,0.6158419573709821,0.39347243163594
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EOS-3-00430,N#CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)cc1,CPPDNUGFTGJTEW-UHFFFAOYSA-N,3,1,0.408,66,264,437.385,3.049,4,0.481,0.84,1.0,0.3137293537111918,0.3320625728188609,0.9350284421903914,0.840235419093962,0.6052639469536015
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EOS-3-00439,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)cc1,VDGPQFJKMSDCQP-UHFFFAOYSA-N,3,1,0.531,68,12,429.362,2.539,4,0.52,0.81,1.0,0.6516602700294702,0.4988520320745665,0.8051538619697074,0.5202350764169693,0.6189753101226784
EOS-3-00440,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5C)cc4)n23)cc1,TZGDXRJWVCEUSF-UHFFFAOYSA-N,3,1,0.365,0,901,440.507,3.442,5,0.525,0.84,1.0,0.12256699335206635,0.012850387225001713,0.050707627989856764,0.06433760537317525,0.06261565348502501
EOS-3-00441,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)c(F)c1,KUFVFHSTBQMRPQ-UHFFFAOYSA-N,3,1,0.446,0,175,447.43,1.564,5,0.503,0.83,1.0,0.13651394695360153,0.03886813789322185,0.011753820848468233,0.02810808032348708,0.053810996504694675
EOS-3-00442,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCN(C)CC5)cn4)n23)nc1,ZQQAJJRESKJTMQ-UHFFFAOYSA-N,3,1,0.336,63,686,457.498,0.995,5,0.482,0.82,0.998,0.019566856281269276,0.000402645466383387,0.0008823932561167843,0.0003940785415667192,0.005311493386334041
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EOS-3-00444,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)C5)nc4)n23)nc1,DAPPIQFTRPSHHP-UHFFFAOYSA-N,3,1,0.31,63,169,450.409,1.828,5,0.502,0.8,0.975,0.028322253443903777,0.04266328558700569,0.028082379549037077,0.07125111370022617,0.042579758070043175
EOS-3-00445,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCN(C)CC5)nc4)n23)cc1F,QZXUDPLZKFQJMI-UHFFFAOYSA-N,3,1,0.389,0,169,474.5,1.74,5,0.48,0.89,1.0,0.06606812418614215,0.05006510862860668,0.004077856212733877,0.007770200808717703,0.0319953224590501
EOS-3-00446,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)nc1,JTQANJLTGCVZRY-UHFFFAOYSA-N,3,1,0.409,63,806,456.388,2.466,5,0.47,0.86,1.0,0.41996778836268933,0.33207113974367763,0.47044410938249603,0.40944760468782126,0.4079826605441711
EOS-3-00447,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)cc1F,UOFNEICKULKIPM-UHFFFAOYSA-N,3,1,0.356,0,188,440.385,3.486,5,0.493,0.91,1.0,0.5346018093345213,0.6253084092934,0.6959170036323761,0.7268007675964636,0.6456569974641903
EOS-3-00448,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1F,ZMGQLMBNRZUPMV-UHFFFAOYSA-N,3,1,0.484,63,306,439.838,2.845,5,0.492,0.84,1.0,0.5370262490576383,0.44518881502295937,0.23989959564114866,0.355039065177164,0.39428843122472756
EOS-3-00449,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4)n23)cn1,XOGMVRGTQTVCGL-UHFFFAOYSA-N,3,1,0.5,68,127,429.362,2.539,4,0.52,0.86,1.0,0.760700089096018,0.6253169762182167,0.7992512507710232,0.5266003015557535,0.6779671544102529
EOS-3-00450,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)s4)n23)c(F)c1,QREXQCRQDBACDV-UHFFFAOYSA-N,3,1,0.489,90,536,444.879,3.512,5,0.489,0.88,1.0,0.4739993831814132,0.4367418271537249,0.19050270714824208,0.3109451031457748,0.35304725515728874
EOS-3-00451,N#Cc1ccc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1F,VOAJUCAECJPORA-UHFFFAOYSA-N,3,1,0.42,0,685,444.445,3.619,5,0.49,0.88,1.0,0.3336131862106778,0.39984408196833665,0.6658813652251387,0.7403365088067987,0.534918785552738
EOS-3-00452,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cc1F,ODOHAPULVKIMRY-UHFFFAOYSA-N,3,1,0.345,61,917,429.419,2.148,5,0.465,0.88,1.0,0.28982763347268864,0.22572133506956343,0.24695017476526626,0.23005619902679733,0.2481388355835789
EOS-3-00453,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnn(CC(F)F)c4)n23)c(F)c1,GKDOOVUBMNXKBN-UHFFFAOYSA-N,3,1,0.393,63,9,441.417,2.875,5,0.476,0.86,1.0,0.14169693646768555,0.2612569392091015,0.4019344116236036,0.46634911932012885,0.31780935165512986
EOS-3-00454,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,OAQHLPWORMYPOI-UHFFFAOYSA-N,3,1,0.355,0,862,426.48,3.1,5,0.493,0.92,1.0,0.19444349256390925,0.06561407717085875,0.14584332807895278,0.11966280583921596,0.1313909259132342
EOS-3-00455,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)cc1,YJBKSXQXOPJQTM-UHFFFAOYSA-N,3,1,0.506,63,12,455.4,3.071,5,0.476,0.87,1.0,0.5549396888492907,0.42299191282297305,0.6281868960318004,0.4935319717634158,0.52491261736687
EOS-3-00456,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c(F)c1,YFLQXJCEYLYPBE-UHFFFAOYSA-N,3,1,0.523,63,536,438.85,3.45,5,0.463,0.91,1.0,0.5915889932149956,0.46304228634089506,0.47717771228839695,0.5633095743951751,0.5237796415598657
EOS-3-00457,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4C)n23)cc1,DHVWZKLXCWFEDE-UHFFFAOYSA-N,3,1,0.404,66,364,441.417,3.249,4,0.511,0.8,1.0,0.3778013844150504,0.3420773079295456,0.5593259543554245,0.2891165787129052,0.39208030635323143
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EOS-3-00479,CCOc1ncccc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,XMMGOTOSBRDSLG-UHFFFAOYSA-N,3,1,0.373,63,306,432.459,3.207,5,0.482,0.88,1.0,0.3361661298060448,0.23571893633061478,0.17749811527654033,0.19239599753272565,0.2354447947364814
EOS-3-00480,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,IYTVSQBZQDTDML-UHFFFAOYSA-N,3,1,0.344,0,862,427.468,2.495,5,0.489,0.92,1.0,0.15305667877458706,0.036015351929271466,0.048745802206839835,0.03831985470495511,0.06903442190391337
EOS-3-00481,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1,PSNOIEFDNDGOOZ-UHFFFAOYSA-N,3,1,0.33,0,862,427.468,2.495,5,0.489,0.92,1.0,0.1638852717428552,0.03887670481803852,0.050716194914673426,0.03832842162977178,0.07295164827633473
EOS-3-00482,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c(Cl)c1,NZUAKJDHRRVOGV-UHFFFAOYSA-N,3,1,0.382,61,917,445.874,2.662,5,0.452,0.87,1.0,0.22492461106161332,0.31811561921732573,0.2469673086148996,0.26252484408196836,0.2631330957439517
EOS-3-00483,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cc1Cl,DQOPPYXNKCBJCM-UHFFFAOYSA-N,3,1,0.345,61,917,445.874,2.662,5,0.452,0.87,1.0,0.2926375848125557,0.27170858748543625,0.24697587553971626,0.27421869645671987,0.271385186073607
EOS-3-00484,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)cc1F,BLEPDYZBQWQOEM-UHFFFAOYSA-N,3,1,0.318,0,175,463.448,2.536,5,0.488,0.83,1.0,0.3261085600712768,0.27690014392433693,0.11358885614419847,0.14667431978616954,0.21581796998149544
EOS-3-00485,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)nc1,GWVKTFUOXPZPDM-UHFFFAOYSA-N,3,1,0.313,0,782,467.533,3.372,6,0.482,0.9,1.0,0.03710335138098828,0.00594544582276746,0.001207936399150161,0.005328627235967377,0.012396340209718321
EOS-3-00486,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COc4ccc(C(F)(F)F)nc4)n23)cc1,RFTQTDWXIJXFRS-UHFFFAOYSA-N,3,1,0.429,66,264,454.412,3.676,5,0.478,0.89,1.0,0.6731289836200397,0.54928551847029,0.7842848331163046,0.6563635117538208,0.6657657117401138
EOS-3-00487,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(CC5CCOC5)c4)n23)cc1,FUQPJFOFVFJFGX-UHFFFAOYSA-N,3,1,0.333,63,792,429.484,2.584,6,0.506,0.87,1.0,0.035638407237338084,0.0016448495648002193,0.016551298745802207,0.06591391953944212,0.029937118771845656
EOS-3-00488,COC1CN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cc2)C1,COFDBSKEBSTMDB-UHFFFAOYSA-N,3,1,0.327,0,688,429.44,1.423,5,0.508,0.87,1.0,0.24149304365704888,0.0992649578507299,0.03142348022753752,0.032948392844904396,0.10128246864505518
EOS-3-00489,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)nn1,ZNANZRFOEZTOTR-UHFFFAOYSA-N,3,1,0.451,63,108,422.836,2.101,5,0.501,0.88,1.0,0.3684463025152491,0.31812418614214244,0.026917277773970256,0.07712802412446028,0.19765394763895552
EOS-3-00490,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nn4)n23)nc1,KVLWACWHHVGIPG-UHFFFAOYSA-N,3,1,0.354,63,686,431.416,0.215,5,0.477,0.87,1.0,0.013578575834418478,0.00014563772188335277,0.00037694469193338357,0.0002570077445000343,0.003589541498183812
EOS-3-00491,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)nc1,QBEQQRDRCIBPPW-UHFFFAOYSA-N,3,1,0.371,63,862,457.469,2.777,6,0.46,0.9,1.0,0.21658042629017887,0.2769087108491536,0.07891851141114385,0.15968747858268795,0.18302378178329107
EOS-3-00492,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC5CCOCC5)nc4)n23)cc1F,GFOPKLPJGHATSN-UHFFFAOYSA-N,3,1,0.342,0,688,448.458,2.91,5,0.501,0.88,1.0,0.29264615173737235,0.19161640737440888,0.2044068261256939,0.23887156466314852,0.2318852374751559
EOS-3-00493,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cc1F,YYUPIGXINUOJFA-UHFFFAOYSA-N,3,1,0.392,66,685,444.392,3.685,4,0.475,0.87,1.0,0.4085480775820711,0.5168083064903023,0.92531354944829,0.8073469947227743,0.6645042320608594
EOS-3-00494,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)NC5CC5)cn4)n23)c(F)c1,OFYKOQAPMNWRFY-UHFFFAOYSA-N,3,1,0.394,63,9,445.458,2.168,5,0.47,0.81,1.0,0.21132033445274484,0.2820488657391543,0.13358405866630113,0.12428894524021657,0.18781055102460423
EOS-3-00495,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4)n23)cc1,ZYXZAMSSRAADAO-UHFFFAOYSA-N,3,1,0.556,66,12,428.374,3.144,4,0.525,0.86,1.0,0.8863854430813515,0.6163816736344322,0.9217668425741896,0.7240850524295799,0.7871547529298882
EOS-3-00496,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,TZJOWKOJLFSCME-UHFFFAOYSA-N,3,1,0.704,48,378,433.899,3.958,5,0.477,0.92,1.0,0.7311013638544308,0.5121650332396683,0.4055496538962374,0.5137927489548352,0.5406521999862929
EOS-3-00497,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)nc4)n23)cc1Cl,KZOLEGUFSZPZHT-UHFFFAOYSA-N,3,1,0.336,0,688,440.841,4.337,5,0.499,0.92,1.0,0.3057364128572408,0.394806730176136,0.7137790418751285,0.7873860598999384,0.5504270612021109
EOS-3-00498,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1F,ARSSVNMWOGQZPB-UHFFFAOYSA-N,3,1,0.36,0,862,444.47,3.239,5,0.476,0.91,1.0,0.289844767322322,0.25115653485025013,0.25061681858680007,0.24737852100609964,0.259749160441368
EOS-3-00499,N#Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cnc1CF,WCEAOTYKFNEIGX-UHFFFAOYSA-N,3,1,0.39,63,334,427.443,3.01,5,0.507,0.86,0.998,0.22493317798642998,0.15082071139743677,0.2873260914262216,0.3295267630731273,0.24815168597080395
EOS-3-00500,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,CRGOUCXIGBGLMK-UHFFFAOYSA-N,3,1,0.873,48,378,425.851,3.565,4,0.51,0.88,1.0,0.792063600849839,0.572159207730793,0.7945137413474059,0.7240936193543965,0.7207075423206086
EOS-3-00501,Cc1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)ccc1C(=O)NC1CC1,DILGEQJFKWOEFI-UHFFFAOYSA-N,3,1,0.381,66,568,454.416,2.787,5,0.494,0.81,1.0,0.1805136728120074,0.20555479405112742,0.2797700637379206,0.23888013158796517,0.22617966554725516
EOS-3-00502,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cncc(Cl)c4)n23)c(F)c1,BHZCRPNACWAJEF-UHFFFAOYSA-N,3,1,0.406,63,9,422.851,3.462,5,0.532,0.85,0.999,0.23314029196079775,0.3128555273798917,0.4386693852374752,0.6004814611746967,0.3962866664382153
EOS-3-00503,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)cn1,UYYCYKRBZLKOGR-UHFFFAOYSA-N,3,1,0.395,66,66,426.362,2.554,5,0.534,0.84,1.0,0.17177540949900624,0.25116510177506685,0.4238057706805565,0.3937701322733192,0.3101291035569872
EOS-3-00504,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(Cl)c4)n23)cc1,IFHLNCNSFRBJIT-UHFFFAOYSA-N,3,1,0.529,63,536,438.85,3.45,5,0.463,0.9,1.0,0.6609468165307382,0.4185628126927558,0.4842968268110479,0.5439740250839559,0.5269451202796245
EOS-3-00505,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)cc1,SXJKGQPEBGSQPC-UHFFFAOYSA-N,3,1,0.517,66,12,455.4,3.071,5,0.476,0.89,1.0,0.5575440339935577,0.427480981426907,0.6105732986087314,0.4905678157768487,0.5215415324515112
EOS-3-00506,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)nc1,WWRIXMOIJDSVNG-UHFFFAOYSA-N,3,1,0.412,63,108,436.863,2.143,5,0.468,0.84,0.999,0.42460249468850664,0.26656843259543556,0.028090946473853746,0.06276985813172503,0.19550793297238023
EOS-3-00507,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4c(F)cc(F)cc4F)n23)nc1,DYVAWCRSDKZZQO-UHFFFAOYSA-N,3,1,0.418,90,683,440.385,3.075,5,0.495,0.85,0.998,0.4837142759235145,0.32285312864094307,0.5625385511616751,0.6333613186210678,0.5006168185868001
EOS-3-00508,N#CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cc1,STFSSMVBLQRPON-UHFFFAOYSA-N,3,1,0.408,66,264,437.385,3.049,4,0.481,0.83,1.0,0.3637687615653485,0.37601089712836683,0.9179031594818724,0.7733020355013365,0.6077462134192311
EOS-3-00509,CCNC(=O)c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,GAQHBLLEXSBHDY-UHFFFAOYSA-N,3,1,0.327,63,505,442.483,1.814,5,0.447,0.89,0.999,0.08032348708107738,0.02494688506613666,0.013852717428551847,0.00836988554588445,0.031873243780412584
EOS-3-00510,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nn1,UNOFNEPIJSNXIY-UHFFFAOYSA-N,3,1,0.343,63,306,458.457,2.172,6,0.453,0.88,1.0,0.26293605647316837,0.23079295456103077,0.02283942156123638,0.07125968062504283,0.14695702830511959
EOS-3-00511,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nc1,YMUHKUFFGHMOLA-UHFFFAOYSA-N,3,1,0.444,63,108,435.875,2.748,5,0.445,0.9,1.0,0.4570197381947776,0.2717171544102529,0.11951716811733261,0.1924045644575423,0.26016465629497637
EOS-3-00512,N#Cc1cc(Cl)cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,NSNUDMBXUPINFD-UHFFFAOYSA-N,3,1,0.573,0,536,444.882,3.788,5,0.485,0.9,1.0,0.8367743814680282,0.6494842711260366,0.6225070248783496,0.6828524432869577,0.6979045301898431
EOS-3-00513,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)c(F)c1,OTCKWUVBKNZPRP-UHFFFAOYSA-N,3,1,0.396,0,21,470.508,3.726,6,0.48,0.94,1.0,0.24389178260571584,0.16248029607292166,0.010605852923034748,0.08072613254746076,0.12442601603728325
EOS-3-00514,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cn4ccc(C(F)F)n4)n23)cc1F,IFZWMEBZRQMJCH-UHFFFAOYSA-N,3,1,0.381,66,306,427.39,3.005,5,0.511,0.86,1.0,0.2843533685148379,0.2873260914262216,0.419770749091906,0.484708039202248,0.3690395620588034
EOS-3-00515,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1,FRSQCLUNHNKIEY-UHFFFAOYSA-N,3,1,0.378,0,862,444.47,3.239,5,0.476,0.9,1.0,0.2680419436639024,0.24615345075731615,0.25422349393461724,0.24738708793091632,0.25395149407168804
EOS-3-00516,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(C(F)(F)F)c4)n23)cc1,TTYKEEMCBSZZEY-UHFFFAOYSA-N,3,1,0.556,66,12,428.374,3.144,4,0.525,0.85,1.0,0.8508327050921801,0.5260605852923035,0.9479901994380098,0.8240524981152766,0.7872339969844425
EOS-3-00517,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)cc1F,UGDNXIKRGFPPMU-UHFFFAOYSA-N,3,1,0.538,90,133,444.829,3.099,4,0.491,0.82,1.0,0.6972020423548763,0.563052566650675,0.7163319854704955,0.6797083818792407,0.6640737440888218
EOS-3-00518,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(S(=O)(=O)N(C)C)cc4)n23)cn1,VVHBBWFTRWMESM-UHFFFAOYSA-N,3,1,0.358,0,688,437.485,1.463,4,0.501,0.85,0.999,0.1717839764238229,0.08990987595092866,0.060079843739291344,0.030815228565554107,0.08814723116989927
EOS-3-00519,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)NC5CC5)cc4)n23)cc1,WKMAFLZDMSRUCF-UHFFFAOYSA-N,3,1,0.396,0,862,440.507,3.024,5,0.46,0.88,1.0,0.2680505105887191,0.06922931944349256,0.13687375779590158,0.10153519292714687,0.14392219518881502
EOS-3-00520,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cc(F)cc(C#N)c3)n12,KQQQLDNQJMSWSY-UHFFFAOYSA-N,3,1,0.34,0,999,428.427,3.37,5,0.523,0.91,0.99,0.4108525803577548,0.39018059077513534,0.5884791995065451,0.597585840586663,0.4967745528065246
EOS-3-00521,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nc1,QYPHOKMJTPDNHP-UHFFFAOYSA-N,3,1,0.398,33,806,422.836,2.101,5,0.501,0.87,1.0,0.41750908094030564,0.3026951545473237,0.032657117401137685,0.06434617229799192,0.20430188129668972
EOS-3-00522,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)c(F)c4)n23)nc1,PSPXPBXPVAKMHV-UHFFFAOYSA-N,3,1,0.394,63,999,440.385,3.486,5,0.493,0.89,1.0,0.6171441299431156,0.7312898362003976,0.6903656363511754,0.7189448975395792,0.689436125008567
EOS-3-00523,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4)n23)cc1,LVFPADRPLVPCNT-UHFFFAOYSA-N,3,1,0.529,66,536,454.412,3.676,5,0.478,0.92,1.0,0.7339712836680146,0.48466520457816464,0.8153056678774587,0.6856709615516414,0.6799032794188198
EOS-3-00524,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)cc1,ADKAORZPYDSVKY-UHFFFAOYSA-N,3,1,0.423,66,455,428.378,2.336,4,0.519,0.77,1.0,0.2084846823384278,0.23572750325543143,0.40893358919882117,0.2155866630114454,0.26718310945103146
EOS-3-00525,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)F)cn4)n23)cc1,BAXJFOKEVZROOH-UHFFFAOYSA-N,3,1,0.412,66,334,421.411,3.002,5,0.514,0.87,1.0,0.24150161058186553,0.1789459255705572,0.3164108011788089,0.32953532999794394,0.2665984168322939
EOS-3-00526,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cc1,RIHQWLVCPMNWCH-UHFFFAOYSA-N,3,1,0.612,90,133,426.839,2.96,4,0.509,0.83,1.0,0.7430436570488658,0.539639161126722,0.5790298814337606,0.4967531354944829,0.5896164587759577
EOS-3-00527,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)nc1,MAARKCATAJSISF-UHFFFAOYSA-N,3,1,0.394,63,108,439.838,2.845,5,0.492,0.81,1.0,0.4525649372901103,0.3228616955657597,0.29082996367623876,0.39670858748543625,0.3657412960043863
EOS-3-00528,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)nn1,CXSFHUOUNIROBM-UHFFFAOYSA-N,3,1,0.303,66,455,441.377,1.873,5,0.498,0.8,0.822,0.17744671372764032,0.2257299019943801,0.18395757658830786,0.192413131382359,0.19488683092317183
EOS-3-00529,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nc4)n23)cc1F,KHUDAEGUMZCALZ-UHFFFAOYSA-N,3,1,0.384,63,685,422.851,3.462,5,0.498,0.89,1.0,0.2709032965526695,0.30778390788842436,0.43867795216229183,0.5916660955383456,0.40225781303543284
EOS-3-00530,COc1ncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1F,MSQFRLJOUHKTSQ-UHFFFAOYSA-N,3,1,0.523,63,536,434.431,2.805,5,0.477,0.86,1.0,0.5062367212665342,0.21034370502364472,0.2613940100061682,0.20056027688301006,0.29463367829483933
EOS-3-00531,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCC#N)c(F)c4)n23)cc1F,WMZNAPHTOBQPJB-UHFFFAOYSA-N,3,1,0.38,0,682,447.405,2.349,4,0.453,0.88,1.0,0.4314131999177575,0.34209444177917897,0.6742683846206565,0.5599256390925913,0.5019254163525461
EOS-3-00532,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)nc1,ZWXGQLFGFIKXEP-UHFFFAOYSA-N,3,1,0.44,68,457,429.362,2.539,4,0.52,0.8,1.0,0.4789424988006305,0.3663474059351655,0.8462665341648962,0.6302772256870673,0.5804584161469398
EOS-3-00533,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,JDEJTSCDYADWRF-UHFFFAOYSA-N,3,1,0.327,61,269,437.467,2.541,6,0.449,0.91,1.0,0.15306524569940375,0.036023918854088136,0.058160852580357754,0.09735453361661298,0.08615113768761565
EOS-3-00534,O=C(c1ccc(-c2cncc3nnc(-c4ccnc(C(F)F)n4)n23)cc1)N1CCCCC1,XKYMAUANHVQDLI-UHFFFAOYSA-N,3,1,0.337,0,825,435.438,3.812,5,0.484,0.89,1.0,0.02153724898910287,0.03289699129600439,0.005465698033034062,0.03833698855458845,0.02455923171818244
EOS-3-00535,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c(F)c1,MBIULQVJRKCJQN-UHFFFAOYSA-N,3,1,0.523,63,536,422.395,2.936,5,0.48,0.95,1.0,0.5421064354739222,0.33208827359331095,0.4771862792132136,0.5138013158796518,0.4662955760400247
EOS-3-00536,N#Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(Cl)cn1,NWDJSCOHLCILQY-UHFFFAOYSA-N,3,1,0.381,63,108,446.858,2.578,5,0.478,0.85,1.0,0.46147453909944486,0.4045387567678706,0.24337776711671577,0.31411486532794186,0.3558764820779933
EOS-3-00537,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1F,ABWFFBWACPNNAL-UHFFFAOYSA-N,3,1,0.517,63,536,438.85,3.45,5,0.463,0.9,1.0,0.6254540470152834,0.3998526488931533,0.4771948461380303,0.5729473648139264,0.5188622267150983
EOS-3-00538,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4)n23)nc1,GCGJFNVJYNVDMU-UHFFFAOYSA-N,3,1,0.411,63,457,455.4,3.071,5,0.476,0.89,1.0,0.48372284284833117,0.37104208073469946,0.6492957987800699,0.5202436433417861,0.5060760914262217
EOS-3-00539,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(C(F)(F)F)nn4)n23)cn1,REGIHFLXQYOTQG-UHFFFAOYSA-N,3,1,0.369,68,66,427.35,1.949,5,0.524,0.83,0.996,0.16929100130217256,0.23080152148584743,0.16461346035227195,0.1623346583510383,0.18176016037283257
EOS-3-00540,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)cn1,ZXDBLSHCLPHAII-UHFFFAOYSA-N,3,1,0.366,63,829,470.493,1.613,6,0.466,0.91,0.998,0.05542800356384072,0.0019018573093002537,0.0010879994517168118,0.0018761565348502502,0.015073504214927008
EOS-3-00541,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)c(F)c1,TWEBCUCHGAPXNE-UHFFFAOYSA-N,3,1,0.371,61,124,428.431,2.753,5,0.472,0.89,1.0,0.24691590706599958,0.2511736686998835,0.40194297854842026,0.32311013638544306,0.3057856726749366
EOS-3-00542,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(C(F)(F)F)c4)n23)cc1,JSNBLTUCOJWGRQ-UHFFFAOYSA-N,3,1,0.461,66,225,431.805,4.153,4,0.526,0.86,1.0,0.5269172777739702,0.6444897539579193,0.9880063052566651,0.9704869440065794,0.7824750702487835
EOS-3-00543,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)c(F)c4)n23)cc1,YFNDVVKIELRYFI-UHFFFAOYSA-N,3,1,0.363,0,21,462.46,3.141,5,0.503,0.83,1.0,0.1665495853608389,0.12184737166746624,0.17439688849290658,0.26853025837845246,0.18283102597491604
EOS-3-00544,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)cc4F)n23)c(F)c1,VUFDVMMFQMYUDO-UHFFFAOYSA-N,3,1,0.42,0,646,423.398,3.692,5,0.532,0.86,1.0,0.30049345486944007,0.4760982797614968,0.7472757179082996,0.8361061613323282,0.5899934034678911
EOS-3-00545,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(C)c1,QYIRGBKQQVNYEO-UHFFFAOYSA-N,3,1,0.304,63,862,427.468,2.414,5,0.506,0.87,1.0,0.177455280652457,0.0765369063121102,0.07892707833596052,0.05381742169830717,0.09668417174970872
EOS-3-00546,Cn1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,WBMFCSXGRMFODO-UHFFFAOYSA-N,3,1,0.324,74,453,437.467,2.541,6,0.449,0.87,1.0,0.08245665136042767,0.020492084161469398,0.06213590569529162,0.0712682475498595,0.059088222191762046
EOS-3-00547,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)NC5CC5)cc4)n23)cc1Cl,CRNBPTZEBYSWKZ-UHFFFAOYSA-N,3,1,0.417,0,862,460.925,3.287,5,0.459,0.91,1.0,0.35463641971078064,0.3320968405181276,0.28362517990542113,0.31095367007059144,0.3203280275512302
EOS-3-00548,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ncc(Cl)cc4F)n23)nc1,JDAOWNGEXJLGNK-UHFFFAOYSA-N,3,1,0.367,63,505,437.866,3.051,5,0.498,0.82,0.869,0.21939894455486258,0.2560653827702008,0.11359742306901514,0.25660509903365086,0.21141671235693232
EOS-3-00549,CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)nc1,QLMXJECCVGGJHY-UHFFFAOYSA-N,3,1,0.293,68,108,428.378,2.802,4,0.52,0.83,0.958,0.11734116921389898,0.1662497429922555,0.5292389143992873,0.365173737235282,0.29450089096018095
EOS-3-00550,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(Cc4cncc(Cl)c4)n23)cc1F,NNIBYQOKVSBBPJ-UHFFFAOYSA-N,3,1,0.398,66,225,446.82,3.565,4,0.489,0.84,0.995,0.36165273113563157,0.49407168802686585,0.8744859845109999,0.8677266808306491,0.6494842711260366
EOS-3-00551,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)cn4)n23)cc1,YKJHFMUAEAAXAB-UHFFFAOYSA-N,3,1,0.614,66,12,442.401,3.186,4,0.493,0.83,1.0,0.7836680145295045,0.5971831951202796,0.9042988828730039,0.732360701802481,0.7543776985813172
EOS-3-00552,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,WXXIPRCXVLTNFH-UHFFFAOYSA-N,3,1,0.358,0,862,444.47,3.05,5,0.456,0.9,1.0,0.22494174491124666,0.10933966143513124,0.18062504283462408,0.17307758207113974,0.17199600781303545
EOS-3-00553,CN(C)c1cc(CF)ncc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,MKFCOGKREBAGNP-UHFFFAOYSA-N,3,1,0.337,0,437,431.475,3.281,5,0.504,0.88,1.0,0.12816119525735042,0.04267185251182236,0.18715303954492496,0.12429751216503324,0.12057089986978275
EOS-3-00554,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cc1F,DNFZUDNBYJHKES-UHFFFAOYSA-N,3,1,0.394,66,685,457.391,3.222,5,0.462,0.88,1.0,0.28160338564868753,0.38077410732643413,0.7086303200603111,0.6768555959152902,0.5119658522376808
EOS-3-00555,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)nc1,URRVUEWCZGGQDW-UHFFFAOYSA-N,3,1,0.407,63,108,439.838,2.845,5,0.492,0.82,1.0,0.4430556507436091,0.32751353574121034,0.257581728462751,0.3748629292029333,0.35075346103762595
EOS-3-00556,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(S(=O)(=O)CC)cn4)n23)cc1F,RWUKPDFFZIYIES-UHFFFAOYSA-N,3,1,0.326,63,306,455.475,1.931,4,0.466,0.82,0.997,0.14721403604961963,0.27172572133506956,0.04379411966280584,0.04594441779178946,0.12716957370982113
EOS-3-00557,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1,ZWEOPXBFLAJQHJ-UHFFFAOYSA-N,3,1,0.31,63,862,457.469,2.777,6,0.46,0.89,1.0,0.18609074086765814,0.19162497429922554,0.07466931670207662,0.16494757042012198,0.15433315057227057
EOS-3-00558,COCc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(Cl)c1,SIHSTZWDOFNDPS-UHFFFAOYSA-N,3,1,0.327,63,108,434.887,3.545,5,0.498,0.91,0.999,0.2387430607908985,0.2357360701802481,0.33841923103282845,0.43172160921115754,0.3111549928037831
EOS-3-00559,O=C(NCCO)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)cc1F,IBTBMTOEHUSOHN-UHFFFAOYSA-N,3,1,0.386,66,685,442.401,2.576,4,0.456,0.87,0.992,0.3935987937769858,0.3470289904735796,0.7520560619560003,0.6333698855458845,0.5315134329381126
EOS-3-00560,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5C)cc4)n23)nc1,GUDVMSZABLMRBS-UHFFFAOYSA-N,3,1,0.298,0,782,441.495,2.837,5,0.522,0.81,1.0,0.0505105887190734,0.00997190048660133,0.016559865670618873,0.020269344116236036,0.02432792474813241
EOS-3-00561,Cc1ncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4Cl)n23)nc1C,OTIXGYAOTDGUKX-UHFFFAOYSA-N,3,1,0.457,63,536,449.902,3.323,5,0.481,0.87,1.0,0.4270697690357069,0.39986121581796996,0.08369885545884449,0.11740113768761565,0.2570077445000343
EOS-3-00562,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1,FBYSQLOHHBPTSB-UHFFFAOYSA-N,3,1,0.442,63,108,435.875,2.748,5,0.445,0.88,1.0,0.4246110616133233,0.2665769995202522,0.11360598999383181,0.18143890069220753,0.24655823795490367
EOS-3-00563,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C(F)F)cc(N5CCCC5)n4)n23)cn1,UNRMEUQZJJHRMI-UHFFFAOYSA-N,3,1,0.33,63,66,451.441,2.541,5,0.492,0.8,0.715,0.07601432389829346,0.05776677403879103,0.004086423137550545,0.006673634432184223,0.03613528887670481
EOS-3-00564,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)nc1,LPZKWCBWQBNBHL-UHFFFAOYSA-N,3,1,0.321,63,686,458.482,1.47,5,0.476,0.84,1.0,0.02584641217188678,0.00011137002261668152,0.0019361250085669249,0.001070865602083476,0.007241193201288466
EOS-3-00565,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)nc1,SEINEHYRVMMTJN-UHFFFAOYSA-N,3,1,0.477,68,457,443.389,2.929,4,0.488,0.81,0.999,0.6085686382016311,0.39481529710095264,0.7542834624083339,0.46937324378041256,0.5567601603728325
EOS-3-00566,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)cc1Cl,SIFJKBSAHAQPBG-UHFFFAOYSA-N,3,1,0.392,66,685,455.856,3.655,5,0.476,0.84,1.0,0.2415101775066822,0.3568381193886642,0.4386865190871085,0.5502021794256734,0.39680924885203206
EOS-3-00567,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cn1)N1CCOCC1,XXVWMMQIKFLJOV-UHFFFAOYSA-N,3,1,0.449,78,169,455.4,2.74,5,0.469,0.86,1.0,0.1365225138784182,0.15082927832225346,0.1615122335686382,0.2357874717291481,0.17116287437461447
EOS-3-00568,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cc1F,RXYJPZPTXKCXAC-UHFFFAOYSA-N,3,1,0.385,0,21,470.508,3.726,6,0.48,0.94,1.0,0.20020046604071004,0.12552258241381672,0.010614419847851416,0.08239668288671098,0.1046835377972723
EOS-3-00569,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nn4)n23)cn1,UOJPSQQHYZHFGR-UHFFFAOYSA-N,3,1,0.361,63,546,469.509,2.162,6,0.47,0.91,1.0,0.028330820368720443,0.007804468507984374,5.140154890000685e-05,0.00023130697005003083,0.009104499348913714
EOS-3-00570,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)cc1F,ODOGWGMKCQRKPE-UHFFFAOYSA-N,3,1,0.388,63,306,423.839,2.857,5,0.496,0.86,1.0,0.2546518401754506,0.29772633815365634,0.264777945308752,0.3967171544102529,0.30346831951202796
EOS-3-00571,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,ICNMMQXUWDPIHZ-UHFFFAOYSA-N,3,1,0.368,63,66,440.467,2.033,6,0.47,0.85,1.0,0.16389383866767185,0.05007367555342334,0.00867829483928449,0.016037283256802138,0.059670773079295455
EOS-3-00572,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4F)n23)nc1,STWZJLYWSRVRDT-UHFFFAOYSA-N,3,1,0.404,63,505,422.851,3.462,5,0.532,0.85,0.939,0.18904632992940854,0.2717342882598862,0.39848194092248646,0.5759886231238435,0.35881279555890616
EOS-3-00573,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5F)n4)n23)cc1,CKJNEPWDVPDTQI-UHFFFAOYSA-N,3,1,0.356,29,704,452.453,3.342,6,0.435,0.93,1.0,0.23875162771571518,0.2612655061339182,0.17081591391953943,0.2656432047152354,0.23411906312110203
EOS-3-00574,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(F)c4)n23)c(Cl)n1,RQIZFUZOSFTRJC-UHFFFAOYSA-N,3,1,0.453,90,646,431.258,3.583,4,0.5,0.85,1.0,0.3109708039202248,0.40454732369268726,0.6685371119183058,0.7403450757316153,0.5311000788157083
EOS-3-00575,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)nc1,UCEJZYURKZNVPQ-UHFFFAOYSA-N,3,1,0.671,90,683,429.267,3.214,4,0.504,0.84,1.0,0.5945360153519292,0.28733465835103833,0.6047135220341306,0.6393153313686519,0.5314748817764375
EOS-3-00576,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nc4)n23)c(F)c1,SJVWKERFNYIYFO-UHFFFAOYSA-N,3,1,0.408,66,688,442.376,3.903,5,0.485,0.89,1.0,0.3431481735316291,0.512173600164485,0.8987218148173531,0.8628949352340484,0.6542346309368788
EOS-3-00577,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)cc1,HMODXKDAVKOTCP-UHFFFAOYSA-N,3,1,0.523,66,12,443.389,2.929,4,0.488,0.84,1.0,0.5269258446987869,0.46725721335069564,0.7269035706942636,0.45387567678706053,0.5437405763827017
EOS-3-00578,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)cc1F,JFXZGHCUSYHJNV-UHFFFAOYSA-N,3,1,0.346,66,542,431.353,3.156,4,0.499,0.84,1.0,0.3570351586594476,0.43212425467754095,0.8662360359125488,0.7241021862792132,0.5948744088821877
EOS-3-00579,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,FASMRYUAGCGEBS-UHFFFAOYSA-N,3,1,0.873,48,378,425.851,3.565,4,0.51,0.87,1.0,0.7920721677746556,0.5775049688163937,0.7945223082722226,0.7241107532040298,0.7220525495168254
EOS-3-00580,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)nc1,MKHQPDQQDUWYJM-UHFFFAOYSA-N,3,1,0.327,63,686,470.493,1.613,6,0.466,0.87,1.0,0.04165238845863889,0.000496881639366733,0.0012764717976835036,0.002235967377150298,0.011415427318209855
EOS-3-00581,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)cc1F,ZMIUNRORWQUZFI-UHFFFAOYSA-N,3,1,0.333,0,175,467.411,2.443,5,0.494,0.82,1.0,0.3408865053800288,0.3807826742512508,0.2981718182441231,0.3361746967308615,0.339003923651566
EOS-3-00582,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)c(Cl)c1,OHRSUYSLVGPPPX-UHFFFAOYSA-N,3,1,0.446,0,175,463.885,2.078,5,0.49,0.84,1.0,0.1445068878075526,0.07654547323692687,0.01117983688575149,0.03959632650263861,0.0679571311082174
EOS-3-00583,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cc1,MKKBSIRNLARIFE-UHFFFAOYSA-N,3,1,0.373,61,917,429.419,2.148,5,0.465,0.87,1.0,0.260186073607018,0.25118223562470016,0.25759029538756767,0.2238623123843465,0.24820522925090807
EOS-3-00584,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)s4)n23)cn1,AXZMXQHORYKYFA-UHFFFAOYSA-N,3,1,0.404,63,829,449.496,1.747,5,0.505,0.85,1.0,0.011051333013501474,0.002707148242067028,0.0010965663765334795,0.0005054485641834008,0.0038401240490713454
EOS-3-00585,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cc1F,CXFBILGPAMOZOH-UHFFFAOYSA-N,3,1,0.385,66,685,456.403,3.827,5,0.462,0.91,1.0,0.3522719484613803,0.445197381947776,0.8689774518538825,0.8220992392570763,0.6221365053800287
EOS-3-00586,Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc(F)c1F,RGWUELSXTDUPKI-UHFFFAOYSA-N,3,1,0.39,0,685,437.425,4.0,5,0.512,0.89,1.0,0.35930539373586456,0.4321328216023576,0.7749211842916867,0.8201288465492427,0.5966220615447879
EOS-3-00587,COCc1nccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,WSLJYQBWLYBGMQ-UHFFFAOYSA-N,3,1,0.408,63,108,432.444,1.594,5,0.441,0.9,1.0,0.17746384757727365,0.036032485778904805,0.01517202385031869,0.0114968131039682,0.06004129257761633
EOS-3-00588,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cn1,UVWBZSDBNHSYQM-UHFFFAOYSA-N,3,1,0.35,0,688,431.431,2.244,5,0.501,0.83,0.986,0.2816119525735042,0.26658556644506887,0.13688232472071826,0.13949523678980194,0.2061437701322733
EOS-3-00589,Cc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(C(F)(F)F)cn3)n12,OLKIFAMDUVYVAB-UHFFFAOYSA-N,3,1,0.34,66,5,454.416,2.787,5,0.494,0.8,1.0,0.24390034953053252,0.27691727777397024,0.29818038516893974,0.25340963607703376,0.2681019121376191
EOS-3-00590,O=C(c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)cc1)N1CCCCCC1,QNNUMZAGHOBLJB-UHFFFAOYSA-N,3,1,0.471,78,701,448.918,3.237,5,0.472,0.84,1.0,0.15036666438215338,0.1431790144609691,0.0003855116167500514,0.003983620039750531,0.07447870262490576
EOS-3-00591,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(C(F)(F)F)nc3)n12,CBZAFFKQZBPHTG-UHFFFAOYSA-N,3,1,0.348,66,264,452.44,3.997,5,0.495,0.87,1.0,0.26805907751353575,0.327522102666027,0.7703635802892194,0.6591477623192379,0.506273130697005
EOS-3-00592,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cc1F,PRFOCCSKUNITGU-UHFFFAOYSA-N,3,1,0.4,66,455,445.38,3.08,4,0.474,0.81,1.0,0.36623603591254883,0.4715492426838462,0.827984716606127,0.6535364265643204,0.5798266054417107
EOS-3-00593,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1F,GDTJNWSPPXNVBS-UHFFFAOYSA-N,3,1,0.315,0,688,445.458,2.634,5,0.472,0.86,1.0,0.2843619354396546,0.22573846891919677,0.10560448221506408,0.11273216366253169,0.18210926255911178
EOS-3-00594,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,JDTHVKGXTHEVRQ-UHFFFAOYSA-N,3,1,0.327,0,688,457.469,2.777,6,0.46,0.86,1.0,0.27091186347748614,0.22041840860804607,0.06812418614214241,0.1491158933589199,0.1771425878966486
EOS-3-00595,N#Cc1cccc(-c2cc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccn2)c1,QNDZADJDEZOOML-UHFFFAOYSA-N,3,1,0.423,62,319,431.459,3.415,5,0.455,0.9,1.0,0.24959735453361662,0.12185593859228291,0.6903742032759921,0.6216931670207663,0.42088016585566446
EOS-3-00596,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)cc1,HYUGKDYJTWMDGA-UHFFFAOYSA-N,3,1,0.484,90,536,422.395,2.936,5,0.514,0.89,1.0,0.6254626139401,0.2717428551847029,0.38746487560825166,0.4377784250565417,0.4306121924473991
EOS-3-00597,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)nc1,OOCZIYZPTPAVJJ-UHFFFAOYSA-N,3,1,0.392,63,108,423.383,2.331,5,0.507,0.87,0.998,0.419976355287506,0.20556336097594408,0.197364813926393,0.2656517716400521,0.2721390754574738
EOS-3-00598,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c(F)c1,IKRCHXSOOTWJRX-UHFFFAOYSA-N,3,1,0.506,90,536,438.85,3.45,5,0.495,0.85,1.0,0.5915975601398122,0.5215372489891029,0.41977931601672264,0.5304125830991707,0.5158316770612021
EOS-3-00599,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1F,LJCHDFMTXITIBC-UHFFFAOYSA-N,3,1,0.54,90,536,438.85,3.45,5,0.495,0.85,1.0,0.5886591049276951,0.4761068466863135,0.4238143376053732,0.5368806113357549,0.5063652251387842
EOS-3-00600,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1,TXPAVEPZVOGJIN-UHFFFAOYSA-N,3,1,0.422,0,862,456.481,3.382,6,0.463,0.89,1.0,0.33362175313549447,0.307792474813241,0.18716160646974161,0.29509629223493933,0.2809180316633541
EOS-3-00601,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)cc1,MYJGKOJYRXGUTL-UHFFFAOYSA-N,3,1,0.612,90,133,426.839,2.96,4,0.509,0.82,1.0,0.7368412034815982,0.5304382838736207,0.5790384483585772,0.4999485984511,0.5865666335412241
EOS-3-00602,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Br)c4)n23)cn1,UZFZAPYNGLQNFH-UHFFFAOYSA-N,3,1,0.447,90,646,457.719,3.553,4,0.506,0.85,1.0,0.2709204304023028,0.3710506476595161,0.5258292783222535,0.5368891782605716,0.42617238366116095
EOS-3-00603,N#Cc1cc(OCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccc1Cl,NOKKENPIXZYXGM-UHFFFAOYSA-N,3,1,0.38,63,505,445.87,3.183,5,0.484,0.84,1.0,0.4887773284901652,0.4630594201905284,0.3874734425330683,0.4754900280995134,0.4537000548283188
EOS-3-00604,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)cc4F)n23)cc1F,MYTZTCVSUVQUSN-UHFFFAOYSA-N,3,1,0.418,0,646,423.398,3.692,5,0.532,0.85,1.0,0.3479113837296964,0.4630679871153451,0.7448512781851826,0.8402439860187787,0.5990186587622507
EOS-3-00605,Cn1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)n1,BEJVIMLQIYIVRT-UHFFFAOYSA-N,3,1,0.382,52,916,450.506,3.07,6,0.427,0.91,1.0,0.1557381262422041,0.06923788636830923,0.1278185182646837,0.1395038037146186,0.12307458364745391
EOS-3-00606,CCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4OC)n23)cn1,MMZDMVXNUZVFGP-UHFFFAOYSA-N,3,1,0.352,63,334,429.484,2.635,5,0.481,0.89,1.0,0.14451545473236926,0.038885271742855186,0.038011445411555066,0.026129120690836817,0.061885323144404085
EOS-3-00607,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(OCC(F)F)nc4)n23)cc1,YDKNZNGTHLCCTN-UHFFFAOYSA-N,3,1,0.38,0,437,436.422,3.389,5,0.477,0.9,1.0,0.37780995133986706,0.2308100884106641,0.5258378452470701,0.487492289767665,0.40548754369131657
EOS-3-00608,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)nc1,BEWLQHDOUFIJJG-UHFFFAOYSA-N,3,1,0.34,63,686,430.428,0.82,5,0.501,0.81,0.997,0.015925913234185456,0.00011993694743334933,0.0018161880611335755,0.0016277157151668837,0.004872438489479815
EOS-3-00609,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CC(F)C5)cc4)n23)nc1,QXWJDLSAMRTIRV-UHFFFAOYSA-N,3,1,0.347,63,782,471.496,2.463,6,0.463,0.9,0.962,0.28437050236447126,0.16248886299773832,0.02916181207593722,0.07329860873140977,0.13732994654238914
EOS-3-00610,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(C(=O)NC5CC5)cc(F)c4C)n23)cc1,BHECLOCBCHVASQ-UHFFFAOYSA-N,3,1,0.374,0,862,444.47,3.158,5,0.492,0.85,1.0,0.2871376190802549,0.2717514221095196,0.327316496470427,0.2802326776780207,0.2916095538345555
EOS-3-00611,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)cn1,KXDJWTHHGNGORN-UHFFFAOYSA-N,3,1,0.522,63,66,436.863,2.143,5,0.468,0.85,1.0,0.5062452881913508,0.4230090466726064,0.017330888904118977,0.03960489342745528,0.24654752929888288
EOS-3-00612,O=C(c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cc1)N1CCOCC1,LAFBYXSEKFLMEL-UHFFFAOYSA-N,3,1,0.529,66,751,469.427,2.663,5,0.453,0.88,1.0,0.17747241450209034,0.10589575765883079,0.1521485847440203,0.20950414639161127,0.16125522582413818
EOS-3-00613,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nsc(C(F)F)n4)n23)c(F)c1,MWWYFMXHTCYPFD-UHFFFAOYSA-N,3,1,0.379,66,437,431.403,3.279,5,0.521,0.82,0.995,0.0942618737577959,0.27175998903433624,0.1677917894592557,0.2685388253032691,0.20058811938866425
EOS-3-00614,Cn1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)n1,FFDPESMKNFKTTM-UHFFFAOYSA-N,3,1,0.374,62,916,449.518,3.675,6,0.427,0.93,1.0,0.177480981426907,0.061519087108491535,0.26478651223356864,0.2742272633815366,0.19450346103762595
EOS-3-00615,CCCc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(C)c4)n23)cn1,GJSZVAQXQXBXNK-UHFFFAOYSA-N,3,1,0.353,63,5,427.512,3.325,5,0.486,0.89,1.0,0.1585052429579878,0.0692464532931259,0.026925844698786925,0.029898567610170654,0.07114402714001783
EOS-3-00616,Cc1c(F)ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c1F,ALMUFSWXGOAORY-UHFFFAOYSA-N,3,1,0.394,0,685,437.425,4.0,5,0.512,0.86,1.0,0.3361746967308615,0.4091134946199712,0.7611027345624015,0.8095915290247413,0.5789956137344938
EOS-3-00617,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1,JOWFJXANSDRWRH-UHFFFAOYSA-N,3,1,0.578,63,536,436.422,2.978,5,0.479,0.85,1.0,0.5886676718525118,0.2511908025495168,0.33490679185799466,0.39377869919813585,0.39213599136453975
EOS-3-00618,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(C)(C)C)nc4)n23)c(F)c1,SOWBHPOZURCITA-UHFFFAOYSA-N,3,1,0.553,63,536,434.475,3.562,4,0.516,0.84,1.0,0.5797752038928107,0.4407682818175588,0.5822253443903777,0.24739565485573298,0.46254112123912
EOS-3-00619,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cc4F)n23)nc1,SLKSRUWBSBAYSI-UHFFFAOYSA-N,3,1,0.404,63,108,439.838,2.845,5,0.46,0.86,1.0,0.4837314097731478,0.33696285381399493,0.2762490576382702,0.3781697621821671,0.368778270851895
EOS-3-00620,Cc1nc(F)cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c1F,DWSGHMRTFBCCKO-UHFFFAOYSA-N,3,1,0.387,63,9,438.413,3.395,5,0.483,0.85,1.0,0.23041600986909738,0.34703755739839626,0.5359039819066548,0.5975944075114796,0.42773798917140704
EOS-3-00621,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(C(F)(F)F)nn3)n12,BZZSBJPAHKGLCI-UHFFFAOYSA-N,3,1,0.352,66,264,453.428,3.392,5,0.498,0.85,1.0,0.1918477143444589,0.23081865533548077,0.5694349256390926,0.4815125762456309,0.3684034678911658
EOS-3-00622,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,WNUFKCXWFYEVJM-UHFFFAOYSA-N,3,1,0.299,0,862,445.458,2.445,5,0.452,0.88,1.0,0.0990507847303132,0.0577753409636077,0.07467788362689329,0.07713659104927695,0.07716015009252278
EOS-3-00623,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(Br)cc4F)n23)cn1,OWLOTQLIPQVVIJ-UHFFFAOYSA-N,3,1,0.424,90,9,455.291,3.233,4,0.5,0.84,1.0,0.31097937084504146,0.3760194640531835,0.4272925090809403,0.4029110410527037,0.37930059625796725
EOS-3-00624,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)nc1,QOHRSZFVPAXBNV-UHFFFAOYSA-N,3,1,0.35,63,686,458.482,1.47,5,0.476,0.85,1.0,0.016782605715852238,0.0004112123912000548,0.0015591803166335413,0.0008909601809334521,0.004910989651154822
EOS-3-00625,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)nc1,PXEKEZNNZGBXQL-UHFFFAOYSA-N,3,1,0.362,68,455,428.378,2.336,4,0.519,0.76,1.0,0.23042457679391407,0.23082722226029745,0.5359125488314714,0.3078010417380577,0.3262413474059352
EOS-3-00626,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)nc1,PZMCGFFRWLCSMM-UHFFFAOYSA-N,3,1,0.4,90,457,427.827,2.703,4,0.504,0.82,0.961,0.4711808649167295,0.3614556918648482,0.2943766705503392,0.262533411006785,0.34738665958467546
EOS-3-00627,N#CCCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cc1,VGFAITBROPIFIA-UHFFFAOYSA-N,3,1,0.396,66,264,451.412,3.439,4,0.45,0.88,1.0,0.3286957713659105,0.37105921458433283,0.8758138578575835,0.7080563360975944,0.5709062949763553
EOS-3-00628,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(OC(F)F)c4)n23)nc1,YYYYSIHJSAMCAU-UHFFFAOYSA-N,3,1,0.363,63,825,422.395,3.347,5,0.512,0.91,1.0,0.46869645671989585,0.5215458159139196,0.5158059762867521,0.5759971900486601,0.5205113597423069
EOS-3-00629,COCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1F,FSDDCFROAYAWAR-UHFFFAOYSA-N,3,1,0.353,63,505,433.447,2.35,5,0.477,0.83,0.922,0.2220032896991296,0.17025906380645603,0.1083116304571311,0.13477486121581797,0.15883721129463368
EOS-3-00630,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)nc1,KUWVBFKTSIYEBQ-UHFFFAOYSA-N,3,1,0.409,63,505,422.851,3.462,5,0.532,0.84,0.998,0.18334932492632444,0.27692584469878695,0.4161640737440888,0.5884192310328284,0.3662146186005072
EOS-3-00631,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)nc1,FSPANWGMYMBLPY-UHFFFAOYSA-N,3,1,0.346,63,686,470.493,1.613,6,0.466,0.88,1.0,0.030592488520320746,0.0016534164896168872,0.0011051333013501474,0.0019532588582002602,0.00882607429237201
EOS-3-00632,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cc4)n23)cc1,YXXFDZNQVGFKMX-UHFFFAOYSA-N,3,1,0.366,52,916,448.49,3.126,6,0.425,0.9,1.0,0.18335789185114112,0.038893838667671855,0.21819100815571243,0.2566136659584676,0.17426410115824825
EOS-3-00633,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(Cl)cc4F)n23)nc1,QBGIGIHROCXUED-UHFFFAOYSA-N,3,1,0.396,63,505,436.878,3.656,5,0.498,0.83,0.999,0.24692447399081627,0.2717685559591529,0.3236841203481598,0.5034867384003838,0.3364659721746282
EOS-3-00634,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)nc1,YYOXSNMDJIUENG-UHFFFAOYSA-N,3,1,0.308,0,825,417.404,1.746,5,0.54,0.91,1.0,0.24390891645534918,0.1396665752861353,0.06214447262010828,0.08578061818929478,0.1328751456377219
EOS-3-00635,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)nc1,XBJKGKBFNNZFNS-UHFFFAOYSA-N,3,1,0.296,63,686,450.409,1.699,5,0.503,0.78,0.987,0.21940751147967927,0.18733294496607497,0.07468645055170996,0.08240524981152765,0.14095803920224798
EOS-3-00636,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)n(C)n5)nc4)n23)cc1F,AJHZGZQCGDQFEQ-UHFFFAOYSA-N,3,1,0.326,74,413,443.446,2.456,5,0.454,0.86,1.0,0.21658899321499556,0.21536392296621204,0.13689089164553492,0.09736310054142965,0.16655172709204302
EOS-3-00637,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(F)c4)n23)cc1F,NEAFUFZDANCJJJ-UHFFFAOYSA-N,3,1,0.439,0,646,439.853,4.206,5,0.505,0.86,1.0,0.3593139606606812,0.5121821670893016,0.7659773147830855,0.8710163799602495,0.6271224556233295
EOS-3-00638,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(OC(F)F)c4)n23)cc1,UXHFGPAXHQMQLV-UHFFFAOYSA-N,3,1,0.489,48,646,429.814,3.736,4,0.503,0.86,1.0,0.7809265985881708,0.804802618052224,0.9312075937221574,0.9000496881639367,0.8542466246316222
EOS-3-00639,Cc1nc(C)c(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1Cl,CITGOZXBTUBNJY-UHFFFAOYSA-N,3,1,0.35,63,505,434.891,2.73,5,0.514,0.79,1.0,0.12816976218216708,0.1508378452470701,0.011188403810568159,0.02110890274826948,0.07782622849701872
EOS-3-00640,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)cc1F,AJIJGONSNLJAFJ-UHFFFAOYSA-N,3,1,0.442,0,646,421.863,4.067,5,0.527,0.92,1.0,0.38238468919196766,0.44966074977725995,0.5981341237749298,0.7609656637653348,0.547786306627373
EOS-3-00641,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4c(F)ccc(F)c4Cl)n23)cc1,IOWRFLMCDQJCBS-UHFFFAOYSA-N,3,1,0.439,0,646,439.853,4.206,5,0.473,0.89,1.0,0.39577479268041943,0.4715578096086629,0.7496230553080666,0.8475258721129464,0.6161203824275239
EOS-3-00642,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)cc1F,ZCSCBXYSPJQGFS-UHFFFAOYSA-N,3,1,0.346,63,306,425.855,3.569,4,0.538,0.86,1.0,0.28985333424713866,0.3128640943047084,0.4530018504557604,0.3201288465492427,0.34396203138921255
EOS-3-00643,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cn1)N1CCCCC1,GBDMWVTXYIUJMG-UHFFFAOYSA-N,3,1,0.466,78,345,434.45,3.681,5,0.49,0.85,1.0,0.15574669316702078,0.19163354122404222,0.011196970735384826,0.1327959015831677,0.12284327667740388
EOS-3-00644,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cc1)N1CCC1,HJNHLLLEJJLJTP-UHFFFAOYSA-N,3,1,0.473,0,688,424.386,3.718,5,0.501,0.94,1.0,0.27875059968473714,0.38079124117606744,0.4089421561236379,0.4935405386882325,0.39050613391816874
EOS-3-00645,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1F,OPPIBYZQJGHDHP-UHFFFAOYSA-N,3,1,0.295,63,862,445.458,2.634,5,0.472,0.85,1.0,0.2002090329655267,0.19620827907614283,0.11683572064971558,0.12634500719621686,0.1598995099719005
EOS-3-00646,COCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nc4)n23)nc1,RGPFPQSEFGSUFE-UHFFFAOYSA-N,3,1,0.343,68,457,443.389,2.643,4,0.457,0.86,1.0,0.29812898362003976,0.2308357891851141,0.7269121376190802,0.48471660612706463,0.43514837913782467
EOS-3-00647,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4Cl)n23)cc1,WTBJDISFCVCLKY-UHFFFAOYSA-N,3,1,0.571,0,536,437.862,4.055,5,0.492,0.89,1.0,0.8730210403673497,0.5878623809197451,0.6493043657048866,0.7377150298128984,0.71197570420122
EOS-3-00648,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(F)c(C#N)c3)n12,MVBGKUMJIHHBKS-UHFFFAOYSA-N,3,1,0.4,0,334,426.455,3.594,5,0.526,0.85,1.0,0.27092899732711945,0.3078010417380577,0.5853437050236447,0.6188232472071825,0.4457242478240011
EOS-3-00649,Cc1cc(OCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccc1Cl,RNEUIWWMMVKZGW-UHFFFAOYSA-N,3,1,0.374,63,505,434.887,3.619,5,0.498,0.86,1.0,0.48122130080186415,0.3948238640257693,0.27625762456308683,0.35839729970529777,0.3776750222740045
EOS-3-00650,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnc5)cn4)n23)cc1,ZDIUQUDAKZOSTB-UHFFFAOYSA-N,3,1,0.333,82,453,435.451,2.598,6,0.447,0.89,1.0,0.11734973613871565,0.03290555822082106,0.09795421835377972,0.13046569803303407,0.09466880268658762
EOS-3-00651,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1Cl,DYHDPXHLMWRKDU-UHFFFAOYSA-N,3,1,0.712,23,721,446.269,4.176,4,0.498,0.9,1.0,0.944657665684326,0.8417945994105955,0.9121975875539716,0.9093276677403879,0.9019943800973202
EOS-3-00652,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)nc1,HNXIOHUXKYKINI-UHFFFAOYSA-N,3,1,0.293,29,849,435.451,2.598,6,0.447,0.88,0.999,0.11157562881228154,0.08000651086286066,0.02693441162360359,0.05004797477897334,0.06714113151942978
EOS-3-00653,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(CF)c(F)c3)n12,JDNFPGYGIWKKIE-UHFFFAOYSA-N,3,1,0.37,63,264,434.45,3.586,5,0.501,0.85,0.909,0.22201185662394626,0.22574703584401343,0.312667055033925,0.3584058666301145,0.27970795353299976
EOS-3-00654,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)cc1,YBJIPDMPMHAGFB-UHFFFAOYSA-N,3,1,0.573,48,378,437.862,4.055,5,0.492,0.88,1.0,0.8113391816873415,0.6017322321979303,0.6493129326297032,0.737723596737715,0.7000269858131726
EOS-3-00655,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4OC)n23)c(F)n1,DQFZPFSHMBVQBN-UHFFFAOYSA-N,3,1,0.36,63,334,435.463,2.638,5,0.479,0.89,1.0,0.18052223973682407,0.2308443561099308,0.07248475087382633,0.06435473922280859,0.13705152148584743
EOS-3-00656,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c(C)n1,CLEXEYMVZNNSGJ-UHFFFAOYSA-N,3,1,0.511,63,536,432.459,3.413,5,0.502,0.86,1.0,0.5688181070522925,0.21537248989102872,0.2797786306627373,0.24169008292783223,0.32641482763347274
EOS-3-00657,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cn1,SWEPVBALRVDVLL-UHFFFAOYSA-N,3,1,0.636,63,636,434.887,3.353,5,0.479,0.88,1.0,0.6171526968679323,0.47611541361113013,0.18396614351312454,0.3078096086628744,0.39626096566376534
EOS-3-00658,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nn4)n23)cn1,CIBAPEFLZJIGLV-UHFFFAOYSA-N,3,1,0.418,63,829,431.416,0.215,5,0.477,0.83,1.0,0.025854979096703447,0.0005482831882667398,0.0003169762182167089,0.00021417312041669523,0.006733602905900898
EOS-3-00659,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)c(F)c4)n23)nc1,KWZHQEPUCXNRSI-UHFFFAOYSA-N,3,1,0.308,0,825,449.421,2.275,5,0.511,0.81,0.997,0.08033205400589405,0.07655404016174354,0.06617092728394215,0.15969604550750463,0.0956882667397711
EOS-3-00660,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(Cl)c4)n23)nc1,LBMQSLOVWBKXQF-UHFFFAOYSA-N,3,1,0.418,63,505,436.878,3.656,5,0.498,0.85,0.995,0.28714618600507164,0.28205743266397093,0.3457782194503461,0.5169882119114523,0.35799251250771025
EOS-3-00661,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncnn5)c4)n23)cc1,CUFHIIKZMQIVEE-UHFFFAOYSA-N,3,1,0.348,52,916,449.478,2.521,6,0.419,0.9,1.0,0.11735830306353232,0.01860736070180248,0.10561304913988075,0.13047426495785072,0.09301324446576656
EOS-3-00662,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)n23)cc1F,HLVZNLLTCRDCKD-UHFFFAOYSA-N,3,1,0.442,0,21,478.459,2.569,5,0.484,0.93,1.0,0.18053080666164073,0.07656260708656021,0.08370742238366116,0.17308614899595642,0.12847174628195462
EOS-3-00663,N#CCc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccc1F,DGHQVTIQVULOMW-UHFFFAOYSA-N,3,1,0.359,63,505,428.431,2.269,5,0.5,0.79,0.999,0.08686861764101159,0.18297238023439105,0.11361455691864848,0.17861181550270716,0.14051684257418956
EOS-3-00664,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F,UWZGYSJKDKXVDL-UHFFFAOYSA-N,3,1,0.747,48,378,425.851,3.565,4,0.51,0.87,1.0,0.9157014598039888,0.6934668631348091,0.7611113014872182,0.7268093345212803,0.774272239736824
EOS-3-00665,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(CF)nc3)n12,SEMYISYVKHVEDO-UHFFFAOYSA-N,3,1,0.358,63,334,432.459,3.147,5,0.482,0.86,0.989,0.2816205194983209,0.15084641217188677,0.2181995750805291,0.18962888081694196,0.21007384689191969
EOS-3-00666,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(N5CCC(F)(F)C5)n(C)n4)n23)cc1,KCTKIZFPTLCCRB-UHFFFAOYSA-N,3,1,0.326,63,792,439.43,1.792,5,0.517,0.82,1.0,0.1042423411692139,0.0930368035090124,0.005765540401617435,0.013364402714001782,0.05410227194846138
EOS-3-00667,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)cc1F,BSVLEMLBPGZGBH-UHFFFAOYSA-N,3,1,0.369,74,274,444.405,2.948,5,0.454,0.86,1.0,0.2601946405318347,0.25119936947433347,0.5790470152833939,0.5034953053252005,0.3984840826536907
EOS-3-00668,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(F)cn5)c4)n23)cc1F,LJTOPWRLMXKNKO-UHFFFAOYSA-N,3,1,0.365,82,738,444.405,2.948,5,0.454,0.86,1.0,0.2898619011719553,0.23574463710506477,0.6281954629566171,0.559934206017408,0.4284340518127613
EOS-3-00669,Cc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(C(=O)NC4CC4)nc3)n12,FCOSQHNUXVKMPE-UHFFFAOYSA-N,3,1,0.294,63,66,454.494,2.341,6,0.458,0.87,1.0,0.15575526009183743,0.03890240559248852,0.006485162086217531,0.009089507230484545,0.05255808375025701
EOS-3-00670,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5nnnn5C)c4)n23)cc1F,JXNDYTNRPHZKLU-UHFFFAOYSA-N,3,1,0.343,61,917,447.409,2.287,5,0.449,0.88,1.0,0.2954561030772394,0.2927403879103557,0.3799174148447673,0.38415804262901787,0.3380679871153451
EOS-3-00671,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(C(F)F)cn3)n12,XKFKSTCHHDCZAZ-UHFFFAOYSA-N,3,1,0.35,63,264,434.45,3.915,5,0.497,0.86,1.0,0.17748954835172367,0.162497429922555,0.5324600781303543,0.5339335891988212,0.35159516140086355
EOS-3-00672,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1F,SIMQUBPYGDDUTH-UHFFFAOYSA-N,3,1,0.467,63,306,439.838,2.845,5,0.492,0.83,1.0,0.5136299773833185,0.43214138852717426,0.2575988623123843,0.36200397505311493,0.391343550818998
EOS-3-00673,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(O)C5)cc4)n23)cc1F,LPLKCAOFAYKTAC-UHFFFAOYSA-N,3,1,0.37,0,901,446.442,1.774,5,0.494,0.9,1.0,0.39360736070180247,0.3421030087039956,0.2080563360975944,0.22108662874374616,0.29121333356178464
EOS-3-00674,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(=O)N5CCOCC5)cn4)n23)cc1,JMZNSRRUOZBHSF-UHFFFAOYSA-N,3,1,0.515,63,751,460.454,0.732,5,0.439,0.91,1.0,0.18905489685422522,0.0030583921595504077,0.0018247549859502434,0.0011308340758001507,0.0487672195188815
EOS-3-00675,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,FIKBALWCFZXDSH-UHFFFAOYSA-N,3,1,0.327,52,582,436.479,3.146,6,0.454,0.88,1.0,0.06080803234870811,0.027080049345486943,0.154967103008704,0.16495613734493866,0.10195283051195944
EOS-3-00676,N#Cc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,ZQRZUUJNHFVFDZ-UHFFFAOYSA-N,3,1,0.523,0,536,444.882,3.788,5,0.485,0.89,1.0,0.8459752587211294,0.654735796038654,0.5884877664313618,0.642150983482969,0.6828374511685285
EOS-3-00677,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)nc1,AGVICCUCEZLHCY-UHFFFAOYSA-N,3,1,0.337,63,862,457.469,2.777,6,0.46,0.87,1.0,0.20849324926324447,0.21035227194846137,0.07893564526077719,0.16496470426975532,0.16568646768555959
EOS-3-00678,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(F)c4F)n23)nc1,RGVMNQRVNPDXCP-UHFFFAOYSA-N,3,1,0.32,63,999,426.814,3.677,5,0.503,0.88,1.0,0.26563463779041874,0.41857137961757246,0.6166643821533823,0.7583955863203344,0.5148164964704269
EOS-3-00679,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cc1F,GFRNQACBJKQRDQ-UHFFFAOYSA-N,3,1,0.392,66,685,457.391,3.222,5,0.462,0.85,1.0,0.30574497978205745,0.41857994654238917,0.7269207045438969,0.6797169488040573,0.5327406449181002
EOS-3-00680,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(OC(F)F)cn4)n23)nc1,XDZJXZGYQDNDOQ-UHFFFAOYSA-N,3,1,0.308,63,108,424.371,2.137,5,0.5,0.88,0.992,0.5136385443081352,0.47156637653347955,0.17440545541772326,0.22702350764169693,0.3466584709752587
EOS-3-00681,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)c(F)c4)n23)cc1F,CBYDVQCVUUFWPM-UHFFFAOYSA-N,3,1,0.388,66,306,428.83,3.458,4,0.492,0.85,1.0,0.3005020217942567,0.38522890823110134,0.7163405523953121,0.7050579124117606,0.5267823487081077
EOS-3-00682,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)nc4)n23)cc1,JTKMVZHDLWEKGW-UHFFFAOYSA-N,3,1,0.327,82,453,435.451,2.598,6,0.447,0.88,1.0,0.16929956822698924,0.05778390788842437,0.10031012267836338,0.1263535741210335,0.11343679322870262
EOS-3-00683,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cc4)n23)nc1,JSPIYXHBPMXWAT-UHFFFAOYSA-N,3,1,0.296,0,782,459.485,2.787,5,0.492,0.81,1.0,0.04454800904667261,0.017056747309985607,0.02474127887053663,0.043305804948255776,0.032412960043862654
EOS-3-00684,Cn1cc(Cl)c(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,DCCUEIIOEIYNCH-UHFFFAOYSA-N,3,1,0.495,63,536,423.864,2.649,5,0.512,0.89,1.0,0.34791995065451303,0.3078096086628744,0.09305393735864574,0.1440871084915359,0.22321765129189225
EOS-3-00685,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nn4)n23)cn1,NPXBFHVBXQOCMT-UHFFFAOYSA-N,3,1,0.341,63,66,441.455,1.428,6,0.458,0.84,1.0,0.12817832910698376,0.08001507778767733,0.003315399904050442,0.004643273250633953,0.054038020012336374
EOS-3-00686,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)NC5CC5)cc4)n23)cn1,OKVOEWSGBHTDKN-UHFFFAOYSA-N,3,1,0.365,63,334,427.468,2.029,5,0.487,0.86,1.0,0.16390240559248853,0.06562264409567542,0.05816941950517442,0.043314371873072445,0.0827522102666027
EOS-3-00687,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)nc1,AQHHPIBKMQHCFS-UHFFFAOYSA-N,3,1,0.484,63,683,452.877,3.493,5,0.461,0.86,1.0,0.48878589541498185,0.30781817558769103,0.379925981769584,0.49676170241929957,0.4183229387978891
EOS-3-00688,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)nc1,KFLWFFJHMMLVMX-UHFFFAOYSA-N,3,1,0.433,63,108,436.863,2.143,5,0.437,0.86,1.0,0.45014906449181,0.2927489548351724,0.042320608594338976,0.07330717565622644,0.21463145089438695
EOS-3-00689,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)nc1,PRJGGHAZDOUGBP-UHFFFAOYSA-N,3,1,0.315,33,997,441.43,2.465,6,0.445,0.88,0.973,0.02936741827153725,0.1358285929682681,0.09088650538002878,0.18144746761702418,0.10938249605921457
EOS-3-00690,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)cc1Cl,FIAVTVNMSUIDDP-UHFFFAOYSA-N,3,1,0.343,74,413,446.862,2.057,5,0.444,0.85,1.0,0.27875916660955385,0.26127407305873485,0.12258412720169967,0.13951237063943528,0.2005324343773559
EOS-3-00691,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1F,NZFUVUSBQKVETI-UHFFFAOYSA-N,3,1,0.374,0,862,448.433,2.988,5,0.489,0.82,1.0,0.3455897471043794,0.3078267425125077,0.45642862038242754,0.4663576862449455,0.394050699061065
EOS-3-00692,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)nc1,KVXNBTNAVAELHS-UHFFFAOYSA-N,3,1,0.423,63,108,453.865,2.888,5,0.458,0.86,0.999,0.47640668905489686,0.29773490507847306,0.14585189500376944,0.2534182030018505,0.29335292303474747
EOS-3-00693,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCC(F)(F)C5)nc4)n23)cn1,RJKAEAKCYRAVPC-UHFFFAOYSA-N,3,1,0.379,63,345,464.436,1.752,5,0.476,0.82,0.998,0.05051915564389007,0.09304537043382907,0.020851895003769445,0.048711534507573165,0.05328198889726543
EOS-3-00694,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cn4)n23)cn1,JPQGPKZJZBJUNF-UHFFFAOYSA-N,3,1,0.341,63,175,432.419,1.531,5,0.517,0.76,0.987,0.04455657597148927,0.03891097251730519,0.008275649372901104,0.017296621204852307,0.027259954766636965
EOS-3-00695,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)nn1)N1CCOCC1,WPOSGOKJSZFCGY-UHFFFAOYSA-N,3,1,0.449,66,751,456.388,2.134,5,0.461,0.85,1.0,0.13367829483928448,0.1468285244328696,0.05817798642999109,0.12636214104585017,0.11626173668699882
EOS-3-00696,CC(F)(F)CCn1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,DTXKGUQAKKTXOG-UHFFFAOYSA-N,3,1,0.327,63,792,437.454,3.592,5,0.477,0.91,1.0,0.12523130697005003,0.06925502021794257,0.34985607566307997,0.34877664313617984,0.2232797614968131
EOS-3-00697,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)cn1,WCUIXINGTSBASG-UHFFFAOYSA-N,3,1,0.371,68,455,441.377,1.873,5,0.498,0.79,1.0,0.1557638270166541,0.22042697553286272,0.11952573504214926,0.11509663491193202,0.15270329312589953
EOS-3-00698,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cc1,MVIMYIJIDWGCCX-UHFFFAOYSA-N,3,1,0.558,66,536,454.412,3.676,5,0.478,0.9,1.0,0.5499880063052567,0.46307655404016174,0.839875608251662,0.7532040298814338,0.6515360496196285
EOS-3-00699,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cn1,TUQMJPYYDWBZFX-UHFFFAOYSA-N,3,1,0.478,90,66,439.838,2.845,5,0.492,0.84,1.0,0.5269344116236035,0.45414125145637724,0.1708244808443561,0.28329106983757113,0.35879780344047707
EOS-3-00700,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cc4)n23)cc1C,CFZKBNBKCYQVEB-UHFFFAOYSA-N,3,1,0.38,62,740,436.479,2.902,5,0.451,0.87,1.0,0.2137790418751285,0.05008224247824001,0.35728359947913096,0.24454286889178262,0.21642193818107053
EOS-3-00701,CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)nc1,RFLCXAXTIZKLTI-UHFFFAOYSA-N,3,1,0.3,66,542,428.378,2.802,4,0.52,0.82,1.0,0.11979130971146597,0.1548043314371873,0.4978668357206497,0.30469981495442394,0.26929057295593173
EOS-3-00702,O=C(c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)cc1)N1CCOCC1,ZIVBJFPANPGVDI-UHFFFAOYSA-N,3,1,0.512,63,751,435.875,2.298,5,0.453,0.82,1.0,0.08943869508601192,0.061527654033308204,0.008686861764101158,0.03612672195188815,0.048944983208827356
EOS-3-00703,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1,RECWBUFTXQTAQH-UHFFFAOYSA-N,3,1,0.541,63,536,465.311,3.42,5,0.469,0.88,1.0,0.5472894249880063,0.3369714207388116,0.21820814200534577,0.2502398738948667,0.3381772154067576
EOS-3-00704,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C(F)(F)c4cc(Cl)c(F)cn4)n23)cc1,SUENJPPSOUKTPZ-UHFFFAOYSA-N,3,1,0.432,66,685,458.831,4.011,5,0.488,0.87,1.0,0.31624802960729215,0.4541498183811939,0.9053269138510041,0.8892639298197519,0.6412471729148105
EOS-3-00705,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)ccc4F)n23)cc1,UXTWCRNYMUAXOB-UHFFFAOYSA-N,3,1,0.448,66,225,429.377,3.9,4,0.5,0.86,1.0,0.48625008566924816,0.6494928380508532,0.9868412034815982,0.9566513604276609,0.7698088719073402
EOS-3-00706,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)nc1,HLSFBLNIJQUZLO-UHFFFAOYSA-N,3,1,0.416,63,108,453.865,2.888,5,0.458,0.84,0.999,0.4359965046946748,0.287343225275855,0.19737338085120965,0.30124734425330685,0.30549011376876156
EOS-3-00707,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,VNFOERLGOLDGOK-UHFFFAOYSA-N,3,1,0.352,62,302,436.479,3.146,6,0.454,0.9,1.0,0.10903981906654787,0.06563121102049209,0.03938215338222192,0.07127681447467617,0.07133249948598451
EOS-3-00708,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,FVYUMGMBRXUBFJ-UHFFFAOYSA-N,3,1,0.873,48,378,442.306,4.079,4,0.487,0.89,1.0,0.7667911726406689,0.5585977657460078,0.7968696456719896,0.7634757727366185,0.7214335891988212
EOS-3-00709,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(OC(F)F)cc4)n23)cc1,BVZRIELCLGTELU-UHFFFAOYSA-N,3,1,0.516,0,264,435.434,3.876,5,0.477,0.87,1.0,0.6764615173737235,0.5721677746556096,0.6986241518744432,0.7080649030224111,0.6638295867315469
EOS-3-00710,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(Cl)cn3)n12,YDBZAYNMVBJAQI-UHFFFAOYSA-N,3,1,0.378,63,5,435.875,2.726,5,0.496,0.82,0.997,0.34089507230484545,0.3078353094373244,0.11362312384346515,0.14409567541635254,0.22661229525049692
EOS-3-00711,CC(F)(F)c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1,RWWOCOZCQCPYDB-UHFFFAOYSA-N,3,1,0.382,66,685,452.44,3.92,5,0.479,0.86,1.0,0.2680676444383524,0.35187786991981357,0.8070557192790077,0.7757093413748201,0.5506776437529984
EOS-3-00712,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cc1,MLEGPDKAJIOFPI-UHFFFAOYSA-N,3,1,0.584,63,536,436.422,2.978,5,0.479,0.84,1.0,0.6198598451099994,0.2512079363991502,0.3837553971626345,0.42526214789939004,0.42002133164279354
EOS-3-00713,N#CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,SSCQJCQFCIBDGF-UHFFFAOYSA-N,3,1,0.321,0,862,438.451,1.999,5,0.439,0.91,1.0,0.19724487697895962,0.080023644712494,0.10031868960318004,0.09151189089164553,0.11727477554656979
EOS-3-00714,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cc1,RFJRGVJZKKBHQT-UHFFFAOYSA-N,3,1,0.571,0,536,437.862,4.055,5,0.492,0.88,1.0,0.8847320265917347,0.5775135357412103,0.6493214995545199,0.7323692687272977,0.7109840826536906
EOS-3-00715,NC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cnc(F)cn5)c4)n23)cc1,JQNNJFNBIRXVDV-UHFFFAOYSA-N,3,1,0.412,62,319,425.427,3.077,5,0.463,0.91,1.0,0.2602032074566514,0.1702676307312727,0.5729130971146598,0.49354910561304915,0.37423326022890824
EOS-3-00716,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(Cl)c(C)n1,OOCUZXIXOWCGSH-UHFFFAOYSA-N,3,1,0.388,63,108,449.902,3.323,5,0.481,0.86,1.0,0.37543691316565003,0.2820659995887876,0.12505140154890002,0.1517459392776369,0.23357506339524364
EOS-3-00717,CCOc1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)cc1Cl,UULBOLBLZUHHOA-UHFFFAOYSA-N,3,1,0.361,90,129,426.839,3.404,4,0.525,0.84,1.0,0.4789510657254472,0.45841614693989446,0.5761599616201768,0.48152114317044753,0.4987620793639915
EOS-3-00718,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cccc(C(F)(F)F)n4)n23)cc1,APWVWCZKYYVPGC-UHFFFAOYSA-N,3,1,0.451,66,225,426.402,3.35,4,0.529,0.85,1.0,0.41751764786512235,0.38523747515591805,0.8205486258652595,0.6033513809882805,0.5566637824686451
EOS-3-00719,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1F,LXMRKXYALKVCAF-UHFFFAOYSA-N,3,1,0.528,90,636,426.839,2.96,4,0.476,0.87,1.0,0.7460506476595161,0.5260691522171201,0.5086611609896512,0.4725944075114797,0.5633438420944418
EOS-3-00720,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,ZQGSFVLWQFKTMD-UHFFFAOYSA-N,3,1,0.361,63,66,446.446,1.84,5,0.443,0.88,1.0,0.13901548900006855,0.07299019943800973,0.019027140017819202,0.01893290384483586,0.06249143307518333
EOS-3-00721,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(CC(F)(F)F)n4)n23)cc1,FYAQSXXJWGQJLN-UHFFFAOYSA-N,3,1,0.347,63,437,439.401,3.245,5,0.513,0.82,1.0,0.2277773970255637,0.19164210814885888,0.5884963333561785,0.5697262010828593,0.3944105099033651
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EOS-3-00723,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)c(F)c1,XJUILHJUYUERGX-UHFFFAOYSA-N,3,1,0.418,0,646,439.853,4.206,5,0.505,0.84,1.0,0.3336303200603111,0.49408025495168256,0.7682218490850524,0.869482900418066,0.6163538311287781
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EOS-3-00725,CC1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cn2)C1,XIGDOGHLYYWMAY-UHFFFAOYSA-N,3,1,0.304,63,169,428.456,1.829,5,0.524,0.8,0.993,0.025863546021520117,0.005954012747584127,0.0033239668288671097,0.0038379823178671785,0.009744876978959633
EOS-3-00726,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)c(OC)c1,AQFFEIMGQIMUFA-UHFFFAOYSA-N,3,1,0.381,63,568,424.852,1.979,4,0.498,0.82,1.0,0.30822082105407445,0.33210540744294426,0.07469501747652663,0.03961346035227195,0.18865867658145433
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EOS-3-00729,Cc1ncc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4Cl)n23)cc1F,ROBVGXWTBZJMCR-UHFFFAOYSA-N,3,1,0.43,63,9,438.85,3.972,5,0.506,0.87,1.0,0.5886762387773284,0.577522102666027,0.45301041738057707,0.5304211500239874,0.53740747721198
EOS-3-00730,N#Cc1ccc(F)c(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,XSZSFRMXOKOALN-UHFFFAOYSA-N,3,1,0.523,0,536,428.427,3.273,5,0.505,0.89,1.0,0.8138407237338086,0.4761239805359468,0.637250702487835,0.6507607429237201,0.6444940374203276
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EOS-3-00733,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(C(F)F)nn3)n12,KGQKXLIEOGWKMT-UHFFFAOYSA-N,3,1,0.352,66,334,435.438,3.31,5,0.499,0.82,1.0,0.1639109725173052,0.154812898362004,0.29083853060105547,0.2982831882667398,0.22696139743677612
EOS-3-00734,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)nc4)n23)cc1,QBVSERHLBLZLRO-UHFFFAOYSA-N,3,1,0.405,62,3,425.427,3.414,5,0.474,0.91,1.0,0.2220289904735796,0.24109896511548215,0.5660681241861422,0.4905763827016654,0.37994311561921734
EOS-3-00735,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)cc1Cl,ZVJMWLXUCUPSAD-UHFFFAOYSA-N,3,1,0.442,0,646,438.318,4.581,5,0.495,0.93,1.0,0.3662446028373655,0.432149955451991,0.5981512576245631,0.803149201562607,0.5499237543691317
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EOS-3-00737,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)nc4)n23)cc1,BBSGTZWHHAOQAL-UHFFFAOYSA-N,3,1,0.417,14,357,440.442,2.733,5,0.447,0.83,1.0,0.2656432047152354,0.20558049482557741,0.3236926872729765,0.23579603865396478,0.2576781063669385
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EOS-3-00740,N#CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,JKEFTSHCUPZOME-UHFFFAOYSA-N,3,1,0.275,0,862,438.451,1.999,5,0.439,0.9,1.0,0.12818689603180042,0.0729987663628264,0.11084744020286479,0.10154375985196354,0.10339421561236378
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EOS-3-00742,COc1cc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccn1,WSIRYIFDRAWLNK-UHFFFAOYSA-N,3,1,0.451,63,108,431.456,2.104,5,0.451,0.88,1.0,0.2709375642519361,0.022659516140086353,0.05256665067507368,0.03715475292988829,0.0958296209992461
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EOS-3-00744,N#CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)cc1,BAVIWLBSEBFJKM-UHFFFAOYSA-N,3,1,0.336,0,901,469.48,2.896,5,0.434,0.96,1.0,0.28162908642313755,0.15857377835652114,0.17083304776917277,0.19242169830717565,0.2008644027140018
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EOS-3-00746,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)c(F)c1,YXJQBQTUFOYRBR-UHFFFAOYSA-N,3,1,0.449,23,646,430.27,4.188,4,0.527,0.85,1.0,0.37544548009046674,0.4893598793776986,0.9043074497978206,0.9149818381193887,0.6710236618463437
EOS-3-00747,O=C(c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)cc1)N1CCOCC1,QMOPFHVBCKIGCH-UHFFFAOYSA-N,3,1,0.523,66,751,468.439,3.268,5,0.457,0.89,1.0,0.15851380988280447,0.12891508464121718,0.37993454869440063,0.44761325474607633,0.27874417449112465
EOS-3-00748,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)cc1F,GWGKZXRVZJIUQM-UHFFFAOYSA-N,3,1,0.439,0,646,439.853,4.206,5,0.505,0.84,1.0,0.3570437255842643,0.5121907340141183,0.7659858817079022,0.872472757179083,0.6269232746213419
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EOS-3-00750,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)cc1,NBYRCWFERZQOQJ-UHFFFAOYSA-N,3,1,0.511,66,12,425.399,2.848,4,0.485,0.86,1.0,0.5012422040984168,0.35684668631348093,0.34578678637516275,0.17019909533273936,0.34351869302995
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EOS-3-00761,Cc1c(Cl)ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1F,XVTVAUXGGJCVKA-UHFFFAOYSA-N,3,1,0.32,63,108,422.851,3.846,5,0.54,0.87,1.0,0.22203755739839628,0.3568552532382976,0.4564371873072442,0.5946816530738126,0.4075029127544377
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EOS-3-00763,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cnc(C(F)F)cn4)n23)cc1F,ZUAYRAXKEZQGTP-UHFFFAOYSA-N,3,1,0.398,66,455,428.378,2.63,4,0.486,0.83,1.0,0.16655815228565554,0.17491090398190665,0.5694434925639092,0.39088307861010213,0.3254489068603934
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EOS-3-00768,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,SJUHWDYRYZBREF-UHFFFAOYSA-N,3,1,0.324,74,918,439.443,1.331,6,0.429,0.88,1.0,0.09906791857994654,0.03291412514563772,0.007838736207251045,0.010503049825234733,0.037580957439517504
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EOS-3-00785,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1F,PBVKAKROZZIJCA-UHFFFAOYSA-N,3,1,0.671,48,378,435.434,3.583,5,0.48,0.87,1.0,0.5797837708176273,0.25121650332396683,0.5528493591940237,0.6365310808032348,0.5050951785347132
EOS-3-00786,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)n23)cc1,XCTJWXREEZIEDR-UHFFFAOYSA-N,3,1,0.438,0,21,474.496,2.82,5,0.477,0.93,1.0,0.11461688712219861,0.05379172092385717,0.029178945925570555,0.05530806661640737,0.06322390514700843
EOS-3-00787,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cnc(C(F)(F)F)cn4)n23)nc1,FVZBMICZPLZSPZ-UHFFFAOYSA-N,3,1,0.351,63,505,454.416,2.673,5,0.477,0.81,0.999,0.1503923651566034,0.20109142622164347,0.31641936810362553,0.28610958810225484,0.2385031868960318
EOS-3-00788,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)nc4)n23)cc1F,LHMVZWAZYCEXEF-UHFFFAOYSA-N,3,1,0.386,14,740,440.442,2.733,5,0.447,0.84,1.0,0.2629446233979851,0.2103694057980947,0.4055582208210541,0.3295438969227606,0.3021040367349736
EOS-3-00789,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)nc4)n23)cc1F,QGANGOOMFAAPGL-UHFFFAOYSA-N,3,1,0.412,96,648,443.417,3.553,5,0.456,0.88,1.0,0.28987046809677197,0.2977434720032897,0.6931498869165924,0.6591648961688712,0.48498218079638133
EOS-3-00790,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)cc1F,QSMBDXVFYKAEGB-UHFFFAOYSA-N,3,1,0.34,0,175,453.384,2.182,5,0.506,0.76,0.992,0.33844493180727847,0.37602803097800014,0.29438523747515594,0.3683692001918991,0.3443068501130834
EOS-3-00791,Cn1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,ZECSXYGFSYFNSB-UHFFFAOYSA-N,3,1,0.324,52,295,437.467,2.541,6,0.449,0.86,1.0,0.14170550339250224,0.029924268384620655,0.10292303474744706,0.11967137276403263,0.09855604482215063
EOS-3-00792,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(Cl)cn3)n12,CWPQPCSILLMYOK-UHFFFAOYSA-N,3,1,0.383,63,9,434.887,3.331,5,0.5,0.83,1.0,0.3707422383661161,0.302712288396957,0.22531012267836337,0.27733705708998696,0.29402542663285586
EOS-3-00793,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(C(F)(F)F)c4)n23)c(F)c1,YYPIIBJEVTZZTN-UHFFFAOYSA-N,3,1,0.378,66,999,442.376,3.903,5,0.485,0.87,1.0,0.3546449866355973,0.4988605989993832,0.8998269481187033,0.862903502158865,0.6540590089781372
EOS-3-00794,O=C(c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1)N1CCCC1,VLKMRNYMIOXACL-UHFFFAOYSA-N,3,1,0.582,0,175,436.422,3.691,5,0.474,0.9,1.0,0.2898790350215886,0.2927660886848057,0.07032588582002604,0.25025700774450005,0.2258070043177301
EOS-3-00795,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(C)c5)no4)n23)cc1F,WBSDEWFKDJLHMT-UHFFFAOYSA-N,3,1,0.337,74,837,429.415,3.315,5,0.466,0.9,1.0,0.27337057089986977,0.26660270029470223,0.3419745048317456,0.2920721677746556,0.29350498595024327
EOS-3-00796,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5C)o4)n23)nc1,OQHBXAJWJKRXMJ-UHFFFAOYSA-N,3,1,0.276,63,759,445.483,2.821,5,0.513,0.8,0.988,0.01860736070180248,0.01285895414981838,0.002878486738400384,0.002707148242067028,0.009262987458022067
EOS-3-00797,CC(C)(C)COc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,WIUMXDIWLHTIQI-UHFFFAOYSA-N,3,1,0.347,63,792,443.511,3.565,5,0.485,0.93,1.0,0.2871547529298883,0.1152851072578987,0.09528990473579604,0.051281611952573504,0.13725284421903913
EOS-3-00798,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cc4F)n23)cc1,YBCYRWARJBDWJS-UHFFFAOYSA-N,3,1,0.529,63,536,438.85,3.45,5,0.463,0.87,1.0,0.754823178671784,0.43675896100335826,0.48791206908368173,0.5599427729422246,0.5598592454252622
EOS-3-00799,CCCn1c(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cncc1=O,UHRBDQISVZQZNP-UHFFFAOYSA-N,3,1,0.368,63,334,429.484,2.241,5,0.483,0.84,1.0,0.17749811527654033,0.01861592762661915,0.015180590775135358,0.024355767253786582,0.058912600233020355
EOS-3-00800,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)c(F)c1,WGBLXWITWVWTOD-UHFFFAOYSA-N,3,1,0.433,0,646,421.863,4.067,5,0.527,0.9,1.0,0.3287129052155438,0.44521451579740934,0.5981598245493798,0.7556970050030841,0.5319460626413542
EOS-3-00801,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)nc1,WEUJIFSDICIJSL-UHFFFAOYSA-N,3,1,0.433,63,108,453.865,2.888,5,0.458,0.84,0.996,0.45702830511959425,0.28735179220067164,0.16152080049345488,0.27423583030635323,0.2950341820300185
EOS-3-00802,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1F,ZTYZOTARQQVDDM-UHFFFAOYSA-N,3,1,0.518,90,555,430.802,3.057,4,0.489,0.85,1.0,0.794976355287506,0.6017407991227469,0.8070642862038243,0.7481666780892331,0.7379870296758275
EOS-3-00803,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(Cc5ccc(F)cc5)n4)n23)cc1,BXHXZHNQSOBNPK-UHFFFAOYSA-N,3,1,0.356,29,704,440.442,2.733,5,0.447,0.86,1.0,0.23876019464053183,0.22576416969364677,0.30890617503940787,0.27134877664313617,0.2611948290041807
EOS-3-00804,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,YZFWNRKAZJZVQP-UHFFFAOYSA-N,3,1,0.568,63,536,439.928,4.02,5,0.47,0.92,1.0,0.7066170927283942,0.4715749434582962,0.21470426975532864,0.3109708039202248,0.425966777465561
EOS-3-00805,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(F)c1,REVUMVJUHYWMDU-UHFFFAOYSA-N,3,1,0.457,63,536,439.838,2.845,5,0.492,0.82,1.0,0.5660338564868754,0.47158351038311286,0.25760742923720104,0.35505619902679736,0.41257024878349663
EOS-3-00806,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,FXEHFNFBODKVPT-UHFFFAOYSA-N,3,1,0.628,63,536,434.887,3.353,5,0.448,0.89,1.0,0.6338753341100678,0.43215852237680763,0.2762661914879035,0.3487852100609965,0.42277131450894384
EOS-3-00807,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,ZNYSRTAOUILHBY-UHFFFAOYSA-N,3,1,0.612,63,536,434.887,3.353,5,0.448,0.89,1.0,0.645526351860736,0.44077684874237544,0.2647950791583853,0.33618326365567813,0.4218203858542937
EOS-3-00808,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,WLUVWVATSQTTBH-UHFFFAOYSA-N,3,1,0.32,52,738,436.479,3.146,6,0.454,0.86,1.0,0.06425193612500857,0.017065314234802276,0.2399081625659653,0.2502655746693167,0.14287274689877322
EOS-3-00809,CC(C)(C)NC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,XVQKVPIDALLXQT-UHFFFAOYSA-N,3,1,0.279,0,782,455.522,3.274,5,0.477,0.88,1.0,0.1281954629566171,0.061536220958124874,0.11684428757453225,0.047357960386539645,0.08848348296895348
EOS-3-00810,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)nc1,NBACGUGLVDPLNB-UHFFFAOYSA-N,3,1,0.323,82,432,435.451,2.598,6,0.447,0.87,1.0,0.12258412720169967,0.06564834487012541,0.06215303954492495,0.08954149818381194,0.0849817524501405
EOS-3-00811,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(C)c(Cl)c3)n12,BQANHFZWBUGFCP-UHFFFAOYSA-N,3,1,0.376,63,334,448.914,3.64,5,0.484,0.86,0.991,0.3336474539099445,0.29775203892810637,0.26480364608320195,0.27734562401480367,0.2933871907340141
EOS-3-00812,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1F,CGZPNGSUXCOPNK-UHFFFAOYSA-N,3,1,0.557,90,636,426.839,2.96,4,0.509,0.79,1.0,0.7667997395654855,0.5443252690014393,0.5461328901377561,0.49995716537591667,0.5893037660201494
EOS-3-00813,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Br)c4)n23)cc1,KNXPAZQOEZDNSY-UHFFFAOYSA-N,3,1,0.506,48,646,456.731,4.158,4,0.5,0.84,1.0,0.3684548694400658,0.4407854156671921,0.7820488657391542,0.7506168185868001,0.585476492358303
EOS-3-00814,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1Cl,KPAMXMCXVCVBQM-UHFFFAOYSA-N,3,1,0.333,74,768,443.858,2.718,5,0.449,0.85,1.0,0.23043314371873072,0.21538105681584538,0.3683520663422658,0.3620125419779316,0.2940447022136934
EOS-3-00815,Cc1ncccc1-n1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nn1,FBMJTDPDNLKNGJ-UHFFFAOYSA-N,3,1,0.306,52,997,437.467,2.635,6,0.449,0.87,1.0,0.02154581591391954,0.038928106366938525,0.05453704338290727,0.07128538139949284,0.046574086765814544
EOS-3-00816,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(C(F)F)c4)n23)cn1,WMFADKUHUHVMKC-UHFFFAOYSA-N,3,1,0.419,66,225,428.83,3.728,4,0.523,0.86,1.0,0.32611712699609346,0.44522308272222605,0.835001028030978,0.7827856212733877,0.5972817147556713
EOS-3-00817,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,APAINZCMMPYCHT-UHFFFAOYSA-N,3,1,0.327,61,269,437.467,2.541,6,0.449,0.88,1.0,0.177506682201357,0.038936673291755194,0.06008841066410801,0.08775101089712836,0.09107069426358716
EOS-3-00818,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5ncccn5)cn4)n23)cc1,HBNCSFFIGXBYKZ-UHFFFAOYSA-N,3,1,0.33,74,453,435.451,2.598,6,0.447,0.85,1.0,0.12259269412651634,0.029932835309437324,0.04551607155095607,0.06436330614762525,0.06560122678363375
EOS-3-00819,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5nnnn5C)c4)n23)cc1,YWJYDOJVHUCVHV-UHFFFAOYSA-N,3,1,0.355,61,917,443.446,2.538,5,0.444,0.87,1.0,0.2304417106435474,0.2103779727229114,0.2044153930505106,0.17862038242752382,0.20596386471112332
EOS-3-00820,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1F,VXHVPQXOOAMNKF-UHFFFAOYSA-N,3,1,0.704,48,378,451.889,4.098,5,0.457,0.92,1.0,0.7520217942567337,0.5215543828387362,0.5528579261188403,0.6828610102117744,0.6273237783565212
EOS-3-00821,Cn1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,LOVJPAKNOBGHJP-UHFFFAOYSA-N,3,1,0.314,29,849,438.455,1.936,6,0.441,0.86,1.0,0.07004317730107601,0.017073881159618942,0.02475841272016997,0.028116647248303747,0.03499802960729217
EOS-3-00822,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,RZLUSHNYGYDHDA-UHFFFAOYSA-N,3,1,0.533,63,66,435.875,2.748,5,0.475,0.85,1.0,0.5770766225755602,0.47159207730792957,0.072493317798643,0.13714789939003497,0.31457747926804197
EOS-3-00823,CCCn1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)n23)c1,GEPDQHYYUHTMPZ-UHFFFAOYSA-N,3,1,0.371,63,306,435.919,3.534,5,0.479,0.91,1.0,0.20022616681516003,0.16626687684188884,0.06617949420875882,0.13715646631485162,0.14245725104516482
EOS-3-00824,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)cc1,GNDCHYLNOAYCEP-UHFFFAOYSA-N,3,1,0.35,0,175,463.448,2.694,5,0.488,0.82,1.0,0.292654718662189,0.2411075320402988,0.14586046192858612,0.14913302720855323,0.2071889349599068
EOS-3-00825,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,RVSMBGYFLXWHOC-UHFFFAOYSA-N,3,1,0.522,63,66,440.916,3.415,5,0.473,0.89,1.0,0.5318004249194709,0.4630851209649784,0.06814988691659242,0.14178260571585224,0.30120450962922346
EOS-3-00826,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)ncc1F,UMXDDSSSKCRTFE-UHFFFAOYSA-N,3,1,0.396,74,139,426.415,2.857,5,0.468,0.87,1.0,0.2787677335343705,0.18298094715920774,0.33114591186347747,0.25027414159413336,0.26079218353779726
EOS-3-00827,CC1COCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)cn1,XUOLQXUHJPOCOC-UHFFFAOYSA-N,3,1,0.343,0,829,461.457,1.952,5,0.492,0.77,1.0,0.11158419573709821,0.06565691179494208,0.05631039681995751,0.07524330066479337,0.0771987012541978
EOS-3-00828,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(C(F)F)c4)n23)nc1,UUGFCMBLDWMYRT-UHFFFAOYSA-N,3,1,0.389,66,505,426.402,3.408,4,0.511,0.84,0.925,0.24960592145843327,0.33211397436776097,0.7968782125968062,0.6968764992118429,0.5188686519087109
EOS-3-00829,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,FBANUXGETNDXIG-UHFFFAOYSA-N,3,1,0.495,63,66,436.863,2.143,5,0.468,0.85,1.0,0.47400795010622987,0.4185885134672058,0.023747515591803166,0.05382598862312384,0.24254249194709068
EOS-3-00830,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Br)cc4F)n23)cc1,AHVYQWZLQAPOKJ-UHFFFAOYSA-N,3,1,0.443,0,646,466.314,4.176,5,0.479,0.89,1.0,0.352280515386197,0.36635597285998217,0.5625471180864917,0.6591734630936879,0.48508926735658964
EOS-3-00831,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(Cl)c4)n23)nc1,SVMDYQYAQXECBQ-UHFFFAOYSA-N,3,1,0.554,63,683,455.305,3.964,5,0.473,0.89,1.0,0.5187615653485025,0.3852460420807347,0.45644575423206085,0.6158590912206154,0.49407811322047834
EOS-3-00832,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)cn5)cn4)n23)cc1,ZTMNMBXPZQKTDQ-UHFFFAOYSA-N,3,1,0.4,74,453,427.403,2.204,5,0.463,0.86,1.0,0.20850181618806113,0.17896305942019053,0.2542320608594339,0.18145603454184087,0.2057882427523816
EOS-3-00833,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,DUOXOOPXRLMHDS-UHFFFAOYSA-N,3,1,0.541,63,536,420.86,3.311,5,0.514,0.89,1.0,0.582730792954561,0.4367675279281749,0.27627475841272015,0.355064765951614,0.4127094613117675
EOS-3-00834,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccn5)nc4)n23)cc1,GSUXBQWBWUVRGU-UHFFFAOYSA-N,3,1,0.32,52,582,434.463,3.203,6,0.452,0.88,1.0,0.1530738126242204,0.04268041943663902,0.11953430196696593,0.15175450620245357,0.11676076005756973
EOS-3-00835,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(F)cn5)c4)n23)cc1,TUSQUTPABXMXOO-UHFFFAOYSA-N,3,1,0.4,74,738,426.415,2.809,5,0.47,0.86,1.0,0.22495031183606332,0.1662754437667055,0.4910818312658488,0.3841666095538346,0.31661854910561305
EOS-3-00836,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(F)c4)n23)cc1Cl,KWKMTDZQPCLCPS-UHFFFAOYSA-N,3,1,0.439,0,646,439.853,4.206,5,0.505,0.84,1.0,0.3730553080666164,0.5396477280515386,0.7659944486327188,0.8739377013227332,0.6381587965184017
EOS-3-00837,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nc1,ZPZRENQVKOEQEW-UHFFFAOYSA-N,3,1,0.427,63,108,435.875,2.748,5,0.445,0.86,0.999,0.45257350421492704,0.30786101021177437,0.07250188472345967,0.13478342814063463,0.2419299568226989
EOS-3-00838,O=C(NCCO)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)cc1,JRBWKJCBJUXFNK-UHFFFAOYSA-N,3,1,0.343,0,901,460.469,1.974,5,0.455,0.92,1.0,0.2709461311767528,0.10934822835994791,0.13359262559111781,0.1347919950654513,0.16216974504831744
EOS-3-00839,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)s4)n23)cn1,GFLYPJBGQGAVCJ-UHFFFAOYSA-N,3,1,0.346,63,66,445.508,2.699,6,0.472,0.83,1.0,0.09669488040572956,0.08355321773696114,0.006091083544650812,0.011933726269618259,0.04956822698923995
EOS-3-00840,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1F,YVOMAECTNGOVMM-UHFFFAOYSA-N,3,1,0.56,63,306,436.422,2.978,5,0.479,0.84,1.0,0.5012507710232335,0.19621684600095948,0.4019515454732369,0.47842848331163046,0.39446191145226506
EOS-3-00841,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)cn1,RXIGSQIPOBTCAH-UHFFFAOYSA-N,3,1,0.337,0,688,419.42,2.102,4,0.512,0.91,1.0,0.35228908231101363,0.2873603591254883,0.20806490302241107,0.11022205469124803,0.23948409978754026
EOS-3-00842,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)c(F)c1,KJDLDTMYRBKREY-UHFFFAOYSA-N,3,1,0.416,66,455,457.391,3.222,5,0.462,0.84,1.0,0.2843790692892879,0.43677609485299157,0.7269292714687136,0.6737372352820231,0.5304554177232541
EOS-3-00843,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccn(C)n5)cn4)n23)cc1F,SUPPIYGLRNFTNM-UHFFFAOYSA-N,3,1,0.341,74,768,428.431,2.753,5,0.472,0.85,1.0,0.18336645877595778,0.21038653964772805,0.4308649167294908,0.3263141662668768,0.28773302035501336
EOS-3-00844,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c(F)c1,SYCDBOAUXCVKHQ-UHFFFAOYSA-N,3,1,0.419,0,999,425.826,4.282,5,0.529,0.88,1.0,0.4501576314166267,0.5586063326708245,0.809265985881708,0.9000582550887534,0.6795220512644782
EOS-3-00845,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cnc(C(F)F)cn4)n23)cc1F,QUCKTBYRPCLMDV-UHFFFAOYSA-N,3,1,0.414,66,5,453.428,3.335,5,0.461,0.84,1.0,0.28716331985470495,0.3518864368446303,0.3647196902199986,0.4252707148242067,0.3572600404358851
EOS-3-00846,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1,FHAOHQJDSCAOQD-UHFFFAOYSA-N,3,1,0.396,14,740,442.87,2.986,5,0.443,0.85,1.0,0.1944606264135426,0.1829895140840244,0.37240422178054966,0.34879377698581315,0.27466203481598245
EOS-3-00847,CCc1ccnc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,GFFPXXCRNHREDL-UHFFFAOYSA-N,3,1,0.447,63,108,430.472,2.052,5,0.451,0.86,1.0,0.23876876156534851,0.06566547871975875,0.007487492289767665,0.006108217394284148,0.07950748749228975
EOS-3-00848,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(C(C)C)cn3)n12,IQCZHFFLDXKMNN-UHFFFAOYSA-N,3,1,0.35,63,5,443.511,3.196,5,0.467,0.86,1.0,0.16391953944212184,0.08003221163731067,0.0837245562332945,0.03834555547940511,0.09150546569803303
EOS-3-00849,CCOc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1Cl,LURGFVBQHNIAQK-UHFFFAOYSA-N,3,1,0.299,63,108,434.887,3.798,5,0.496,0.9,1.0,0.33618326365567813,0.35189500376944693,0.27628332533753686,0.3454869440065794,0.32746213419231035
EOS-3-00850,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)nc1,FMSZDMSCZJXYQZ-UHFFFAOYSA-N,3,1,0.357,63,505,441.377,1.873,5,0.498,0.75,1.0,0.09670344733054623,0.16628401069152218,0.13690802549516826,0.1304828318826674,0.13259457884997602
EOS-3-00851,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(OC(F)F)c4)n23)cn1,CYVNZXREZGLSDA-UHFFFAOYSA-N,3,1,0.381,0,688,422.395,3.347,5,0.512,0.88,1.0,0.60001028030978,0.5535261462545404,0.4808614899595641,0.55021074635049,0.5461521657185937
EOS-3-00852,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)cc1,KCHVXLOYYOHJCV-UHFFFAOYSA-N,3,1,0.327,74,450,423.44,2.326,6,0.461,0.9,1.0,0.02373038174216983,0.027088616270303612,0.12259269412651634,0.14668288671098623,0.080023644712494
EOS-3-00853,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncn(C)n5)cc4F)n23)cc1F,YRFRWQNSNHUDON-UHFFFAOYSA-N,3,1,0.337,61,648,446.421,2.892,5,0.455,0.85,1.0,0.3186810362552258,0.26129977383318487,0.5562589952710575,0.4847251730518813,0.4052412446028374
EOS-3-00854,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)c(Cl)c1,FGEMWVUTGHXREO-UHFFFAOYSA-N,3,1,0.381,0,901,464.888,3.265,5,0.5,0.82,1.0,0.36378589541498185,0.3760365979028168,0.2908470975258721,0.36518230416009867,0.3489629737509423
EOS-3-00855,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)c(F)c4)n23)cn1,IGXNJBKWBHZXQE-UHFFFAOYSA-N,3,1,0.358,0,688,440.385,3.486,5,0.493,0.85,1.0,0.7066256596532109,0.7540864231375506,0.6493300664793366,0.6997292851757932,0.7024428586114728
EOS-3-00856,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1F,FHIJNADUZLOUQI-UHFFFAOYSA-N,3,1,0.533,90,636,431.88,3.626,4,0.504,0.83,1.0,0.7978034404770064,0.592531354944829,0.5562675621958741,0.5233705708998698,0.6174932321293948
EOS-3-00857,CCc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4OC)n23)cn1,KBAUYNBNUOIMBB-UHFFFAOYSA-N,3,1,0.346,63,5,429.484,2.635,5,0.481,0.86,0.986,0.1665667192104722,0.07657117401137688,0.039390720307038586,0.028125214173120416,0.07766345692550203
EOS-3-00858,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,ZMJLZYZXGBZBAM-UHFFFAOYSA-N,3,1,0.324,74,453,438.455,1.936,6,0.441,0.85,1.0,0.09907648550476321,0.020500651086286067,0.01903570694263587,0.027088616270303612,0.04142536495099719
EOS-3-00859,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1F,BVCCPNDEIRAYNE-UHFFFAOYSA-N,3,1,0.5,63,306,453.865,2.888,5,0.458,0.85,1.0,0.5660424234116921,0.4139709409910219,0.17751524912617367,0.29829175519155643,0.3639550921801111
EOS-3-00860,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)cc1F,QYZQOLRKNTYSCT-UHFFFAOYSA-N,3,1,0.387,66,685,456.403,3.827,5,0.462,0.88,1.0,0.32101980673017616,0.40455589061750397,0.8928106366938524,0.8752827085189501,0.6234172606401207
EOS-3-00861,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(OC)c4Cl)n23)cc1F,NCWOQASQXPUNHP-UHFFFAOYSA-N,3,1,0.489,90,555,442.838,2.926,4,0.489,0.81,1.0,0.7156037968610788,0.5721763415804263,0.5885049002809951,0.4377869919813584,0.5785180076759646
EOS-3-00862,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(S(=O)(=O)N(C)C)nc4)n23)cc1F,YJHJROZPFFWBHT-UHFFFAOYSA-N,3,1,0.324,0,688,469.502,1.992,4,0.458,0.85,1.0,0.17457679391405662,0.19622541292577617,0.06406346377904187,0.04872010143238983,0.12089644301281612
EOS-3-00863,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4Cl)n23)cc1,SUTFBURBKSBTSV-UHFFFAOYSA-N,3,1,0.467,0,646,438.318,4.581,5,0.495,0.89,1.0,0.3287214721403605,0.37604516482763345,0.6253598108423001,0.7920721677746556,0.5305496538962374
EOS-3-00864,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cn4)n23)cc1,ZVXVPHZSRDIPPP-UHFFFAOYSA-N,3,1,0.439,66,225,428.83,3.425,4,0.508,0.8,1.0,0.32873003906517717,0.35686382016311424,0.7496401891576999,0.7136162703036119,0.5372125796724008
EOS-3-00865,Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(Cl)cc1F,ZYBBILFIXVAOGU-UHFFFAOYSA-N,3,1,0.367,63,505,436.878,3.77,5,0.514,0.81,0.99,0.1972534439037763,0.25607394969501746,0.4347714344458913,0.5633267082448085,0.3628563840723734
EOS-3-00866,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5cccc(F)c5)n4)n23)cc1,HWDYSAMFASBNQD-UHFFFAOYSA-N,3,1,0.395,62,124,426.415,2.809,5,0.47,0.87,1.0,0.17458536083887327,0.21538962374066206,0.3837810979370845,0.35507333287643067,0.2822073538482626
EOS-3-00867,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,SUSWWOBSGQPNDG-UHFFFAOYSA-N,3,1,0.358,63,66,428.456,1.89,5,0.48,0.86,1.0,0.1016636967993969,0.03292269207045439,0.013861284353368515,0.008712562538551162,0.03929005894044273
EOS-3-00868,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1,HUSSRRBFKBJEOI-UHFFFAOYSA-N,3,1,0.346,62,997,440.442,3.07,6,0.451,0.87,1.0,0.058983277362757866,0.21539819066547872,0.21162874374614488,0.3263227331916935,0.20308323624151875
EOS-3-00869,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cc4)n23)cn1,NXDCRQXOKHSSMI-UHFFFAOYSA-N,3,1,0.389,14,319,442.87,2.986,5,0.443,0.87,0.985,0.2085103831128778,0.1873500788157083,0.3311544787882941,0.3454955109313961,0.2681276129120691
EOS-3-00870,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cnn(C)c5)c4)n23)cc1,PPGPDOGQZQKZLY-UHFFFAOYSA-N,3,1,0.357,62,124,427.443,3.358,5,0.475,0.88,1.0,0.1918562812692756,0.187358645740525,0.6742769515454733,0.5599513398670414,0.40336080460557877
EOS-3-00871,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)cn1,QZVUQKTYEFTZRR-UHFFFAOYSA-N,3,1,0.478,68,900,430.35,1.934,4,0.51,0.78,1.0,0.7280087039956137,0.5775306695908436,0.504797477897334,0.23290041806593106,0.5108093173874306
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EOS-3-00873,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cc1,NIVDJOQKHRPRSS-UHFFFAOYSA-N,3,1,0.34,61,269,425.456,2.399,5,0.46,0.89,1.0,0.13903262284970186,0.0464927009800562,0.10033582345281337,0.0733157425810431,0.08979422246590364
EOS-3-00874,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)c(F)c1F,PYKLPQNYSIHGGP-UHFFFAOYSA-N,3,1,0.359,63,9,441.829,2.996,5,0.478,0.79,1.0,0.2758121444726201,0.3519035706942636,0.40556678774587074,0.5439825920087725,0.3943162737303817
EOS-3-00875,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)cc4Cl)n23)c(F)c1,GBVLSBAZZUEDHA-UHFFFAOYSA-N,3,1,0.391,0,999,425.826,4.282,5,0.529,0.89,1.0,0.36625316976218214,0.5215629497635529,0.7727880200123364,0.8878846549242684,0.637122198615585
EOS-3-00876,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(CN5CC(F)C5)nc4)n23)cc1,SCIGKCWOTKCKJQ-UHFFFAOYSA-N,3,1,0.392,63,364,432.463,1.685,5,0.495,0.76,1.0,0.24391748338016586,0.13217908299636763,0.048754369131656504,0.05532520046604071,0.12004403399355768
EOS-3-00877,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)cc1,ONMNXTTXPYEUCG-UHFFFAOYSA-N,3,1,0.567,63,536,452.877,3.493,5,0.461,0.86,1.0,0.7002690014392434,0.4452316496470427,0.3089147419642245,0.41894832430950585,0.46834092934000415
EOS-3-00878,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1,CBIIUSKLQBAQJK-UHFFFAOYSA-N,3,1,0.489,90,12,426.839,3.308,4,0.508,0.83,1.0,0.6642022479610719,0.48936844630251525,0.5121564663148516,0.4442978548420259,0.5275062538551161
EOS-3-00879,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)c(Cl)c4F)n23)nc1,ABULFGKHIMVSNK-UHFFFAOYSA-N,3,1,0.32,63,999,426.814,3.677,5,0.503,0.86,1.0,0.24961448838324996,0.3663645397847988,0.6166815160030156,0.7634843396614351,0.49903622095812483
EOS-3-00880,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ncc(OC(F)F)cn4)n23)cn1,XBQJDVFVFZQVPL-UHFFFAOYSA-N,3,1,0.396,63,66,438.398,2.061,5,0.466,0.85,1.0,0.5037780138441506,0.44524021657185936,0.12783565211431705,0.17022479610718935,0.31176966965937913
EOS-3-00881,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1,TWRRGQCCEVNFQX-UHFFFAOYSA-N,3,1,0.598,63,536,425.452,2.572,5,0.483,0.92,1.0,0.5525495168254403,0.4045730244671373,0.19738194777602633,0.24169864985264888,0.34905078473031315
EOS-3-00882,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cc1F,QCCFBOGFYPXZLD-UHFFFAOYSA-N,3,1,0.343,61,917,447.409,2.287,5,0.449,0.83,1.0,0.3235299157014598,0.2820745665136043,0.39470392707833596,0.387404907134535,0.3469283291069838
EOS-3-00883,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnc5)nc4)n23)cc1F,LATQXPNFHAXCEV-UHFFFAOYSA-N,3,1,0.404,14,357,439.454,3.338,5,0.451,0.87,1.0,0.27877630045918717,0.22577273661846345,0.5625556850113084,0.4784370502364471,0.3863854430813515
EOS-3-00884,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)c(F)c4)n23)cc1,SLWTWXRDKYPTFN-UHFFFAOYSA-N,3,1,0.42,63,334,422.851,3.462,5,0.498,0.86,1.0,0.2733791378246864,0.28208313343842095,0.4456856966623261,0.5633352751696251,0.3911208107737647
EOS-3-00885,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4Cl)n23)cc1F,UEGWELDYOKCRGS-UHFFFAOYSA-N,3,1,0.406,0,999,450.861,3.242,5,0.484,0.84,1.0,0.35705229250908094,0.3321225412925776,0.4598039887601946,0.559959906791858,0.42723468233842776
EOS-3-00886,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(F)cn5)nc4)n23)cc1,VZQMBICOSYAJRI-UHFFFAOYSA-N,3,1,0.396,14,357,426.415,2.472,5,0.458,0.86,0.999,0.19446919333835927,0.1548300322116373,0.3947124940031526,0.31412343225275857,0.264533787951477
EOS-3-00887,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1,ATYRUJYOIXTVFV-UHFFFAOYSA-N,3,1,0.396,0,862,444.47,3.239,5,0.476,0.85,1.0,0.3109879377698581,0.287368926050305,0.26481221300801866,0.25028270851895,0.27836294633678293
EOS-3-00888,Cn1nccc1-c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,HTYJAWWBQKTUJT-UHFFFAOYSA-N,3,1,0.351,74,295,437.467,2.541,6,0.449,0.86,1.0,0.11462545404701528,0.036041052703721474,0.07251045164827634,0.0857977520389281,0.07724367760948529
EOS-3-00889,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)cc1F,UEDWPFZNTRANEA-UHFFFAOYSA-N,3,1,0.345,61,648,446.421,2.892,5,0.455,0.85,1.0,0.3082293879788911,0.2257813035432801,0.5562761291206908,0.4967788362689329,0.3967664142279487
EOS-3-00890,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncnc5)c4)n23)cc1F,ZIXURRIMNDAXAF-UHFFFAOYSA-N,3,1,0.388,14,357,440.442,2.733,5,0.447,0.83,1.0,0.2523387704749503,0.22578987046809676,0.49109039819066547,0.39672572133506956,0.3414861901171955
EOS-3-00891,Cc1cc(C(F)F)nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(C)c4)n23)n1,OPIZSRNCEULERX-UHFFFAOYSA-N,3,1,0.312,63,437,435.438,3.695,5,0.513,0.81,0.999,0.13111678431910082,0.12892365156603386,0.2576159961620177,0.2502912754437667,0.19198692687272978
EOS-3-00892,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1,WGJZMNOAAOCFLJ-UHFFFAOYSA-N,3,1,0.727,48,378,425.851,3.565,4,0.51,0.82,1.0,0.8317798642999109,0.6641165787129052,0.7611198684120348,0.702496401891577,0.739878178329107
EOS-3-00893,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(C)c5)no4)n23)cc1,IALDOSJUXZIFTJ-UHFFFAOYSA-N,3,1,0.367,62,837,429.415,3.315,5,0.466,0.9,1.0,0.2787848673840038,0.3128812281543417,0.3984905078473031,0.3170875882393256,0.32681104790624355
EOS-3-00894,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,RMQOHIVLEGLGQQ-UHFFFAOYSA-N,3,1,0.354,0,862,437.463,2.604,5,0.447,0.89,1.0,0.23599307792474813,0.10590432458364746,0.24338633404153245,0.21560379686107875,0.2002218833527517
EOS-3-00895,N#CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,MMRPAIKZMQLXGF-UHFFFAOYSA-N,3,1,0.354,0,862,437.463,2.604,5,0.447,0.89,1.0,0.2360016448495648,0.10591289150846413,0.2433949009663491,0.2156123637858954,0.20023045027756836
EOS-3-00896,Cn1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,ASLGDVDWZAZPJU-UHFFFAOYSA-N,3,1,0.368,52,916,450.506,3.07,6,0.427,0.87,1.0,0.07005174422589268,0.02267664998971969,0.13360119251593447,0.13480056199026796,0.0902825371804537
EOS-3-00897,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(C(C)(C)C)cn3)n12,HDMWNZJGEGFENK-UHFFFAOYSA-N,3,1,0.333,63,334,441.539,3.67,5,0.507,0.82,0.968,0.11463402097183195,0.08356178466177781,0.10034439037763004,0.03962202727708861,0.08454055582208211
EOS-3-00898,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)c(F)c4)n23)cc1,JMVVPCADTVUVBJ-UHFFFAOYSA-N,3,1,0.434,0,646,437.425,4.351,5,0.487,0.88,1.0,0.417526214789939,0.4846737715029813,0.8462751010897128,0.853000137070797,0.6503688061133576
EOS-3-00899,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(C(F)(F)F)nn3)n12,MBOUTRUPMRTQEE-UHFFFAOYSA-N,3,1,0.358,66,264,454.416,2.787,5,0.494,0.78,1.0,0.16123809197450484,0.21039510657254473,0.28363374683023784,0.23888869851278186,0.22353891097251732
EOS-3-00900,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)nc4)n23)cc1,JLCLLPVVJMERGM-UHFFFAOYSA-N,3,1,0.371,0,169,417.404,1.746,5,0.54,0.87,1.0,0.21378760879994518,0.15085497909670345,0.05454561030772394,0.07525186758961003,0.12361001644849565
EOS-3-00901,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cc1Cl,NUFRFXDUEHVNHC-UHFFFAOYSA-N,3,1,0.337,29,704,442.87,3.323,5,0.454,0.86,1.0,0.26295319032280173,0.29277465560962235,0.28733465835103833,0.3141319991775752,0.2892986258652594
EOS-3-00902,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccn2)o1,FSYIDLQDNUUWIG-UHFFFAOYSA-N,3,1,0.34,52,582,438.451,3.104,6,0.444,0.9,1.0,0.15040093208142005,0.024955451990953326,0.06407203070385854,0.07905558220821055,0.07962099924611063
EOS-3-00903,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)no4)n23)cc1F,CFGBECDJRLWNAO-UHFFFAOYSA-N,3,1,0.407,96,837,433.378,3.146,5,0.463,0.87,1.0,0.29546467000205606,0.3128897950791584,0.47720341306284697,0.47844561716126377,0.3910008738263313
EOS-3-00904,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nn4)n23)cc1,AGWGQJSSOMYXPK-UHFFFAOYSA-N,3,1,0.512,66,12,430.35,1.934,4,0.51,0.79,1.0,0.547297991912823,0.4584247138647111,0.497883969570283,0.24740422178054966,0.4377527242820917
EOS-3-00905,Cn1c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cnc(Cl)c1=O,WAFZJRDBYNXURX-UHFFFAOYSA-N,3,1,0.345,63,306,439.838,2.237,5,0.522,0.77,0.999,0.35465355356041395,0.39018915769995205,0.1307227057775341,0.2891251456377219,0.29117264066890547
EOS-3-00906,CCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,BKGAPOXPUFJVRY-UHFFFAOYSA-N,3,1,0.38,63,306,417.448,2.766,5,0.518,0.9,1.0,0.1693081351518059,0.1916592419984922,0.08373312315811117,0.12198444246453292,0.14167123569323556
EOS-3-00907,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,WAHCJLBPCGMNAM-UHFFFAOYSA-N,3,1,0.324,52,582,436.479,3.146,6,0.454,0.88,1.0,0.11736686998834898,0.03604961962853814,0.18063360975944076,0.19484613803029266,0.13222405935165515
EOS-3-00908,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1F,YQEAYLIONBJXSC-UHFFFAOYSA-N,3,1,0.766,23,721,443.841,3.704,4,0.491,0.82,1.0,0.8919025426632856,0.6985299157014598,0.8782382975807004,0.8494534301966966,0.8295310465355357
EOS-3-00909,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ncccn5)n4)n23)cc1,WDAKROSUDXQOLQ-UHFFFAOYSA-N,3,1,0.333,29,849,436.439,1.992,6,0.438,0.86,1.0,0.11159276266191488,0.022685216914536357,0.014512370639435269,0.020277911041052702,0.042267065314234804
EOS-3-00910,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnc5)cn4)n23)nc1,LYGZCRRXBQWCDN-UHFFFAOYSA-N,3,1,0.272,33,432,436.439,1.992,6,0.438,0.89,0.999,0.07394112809265986,0.03293125899527106,0.03530429716948804,0.05249811527654033,0.048668699883489826
EOS-3-00911,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5nnnn5C)c4)n23)cc1,JHFBYLRGMZUMFD-UHFFFAOYSA-N,3,1,0.365,61,917,429.419,2.148,5,0.465,0.84,1.0,0.24152731135631553,0.20109999314646015,0.2506253855116167,0.2238708793091632,0.22928089233088889
EOS-3-00912,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)cc4)n23)c(Cl)c1,FRAUTXTWLNKQBR-UHFFFAOYSA-N,3,1,0.433,0,646,421.863,4.067,5,0.527,0.88,1.0,0.31625659653210886,0.44079398259200875,0.594827290795696,0.7584041532451511,0.5275705057912412
EOS-3-00913,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,XBORNFLUKLBHSM-UHFFFAOYSA-N,3,1,0.549,0,536,434.887,3.353,5,0.448,0.89,1.0,0.6853625522582414,0.4630936878897951,0.19051127407305873,0.2713573435679528,0.402581214447262
EOS-3-00914,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)nc1,UWWVPLJIHQNCJK-UHFFFAOYSA-N,3,1,0.435,63,108,456.388,2.466,5,0.47,0.83,0.996,0.36626173668699885,0.31814131999177575,0.41617264066890547,0.32955246384757725,0.35753204029881436
EOS-3-00915,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)nc1,SZTYDGDPABCMSM-UHFFFAOYSA-N,3,1,0.404,68,806,456.388,2.466,5,0.47,0.83,1.0,0.4862586525940648,0.3568723870879309,0.34579535329997946,0.24741278870536632,0.3590847954218354
EOS-3-00916,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)nc4)n23)cn1,LZPCJPHHMQYJGU-UHFFFAOYSA-N,3,1,0.356,82,204,434.463,3.203,6,0.452,0.87,1.0,0.16931670207662258,0.05780104173805771,0.07894421218559386,0.1284096360770338,0.108617898019327
EOS-3-00917,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1F,RHMRZQQWHZNNNV-UHFFFAOYSA-N,3,1,0.311,61,681,440.442,3.07,6,0.451,0.85,0.967,0.07811322047837709,0.19623397985059282,0.14586902885340278,0.25342676992666713,0.16841074977725995
EOS-3-00918,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(C)nc5)nc4)n23)cc1F,MGXYIQDIMOMGSH-UHFFFAOYSA-N,3,1,0.347,82,648,440.442,3.117,5,0.457,0.85,1.0,0.2954732369268727,0.2613083407580015,0.434780001370708,0.3263313001165102,0.32947321979302313
EOS-3-00919,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4nccc(F)c4Cl)n23)cc1,UYRXEOOIDCVGSZ-UHFFFAOYSA-N,3,1,0.605,90,133,426.839,2.96,4,0.509,0.79,1.0,0.6884038105681585,0.5304468507984373,0.5223168391474197,0.472611541361113,0.5534447604687821
EOS-3-00920,COC(=O)c1cn(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,SQMJAWOMXTXRKY-UHFFFAOYSA-N,3,1,0.368,63,306,435.419,1.854,5,0.46,0.84,1.0,0.33365602083476115,0.2411160989651155,0.05455417723254061,0.05383455554794051,0.17079021314508944
EOS-3-00921,CCCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1C,QXNNIXYMHFNQNX-UHFFFAOYSA-N,3,1,0.366,63,334,427.512,3.325,5,0.486,0.87,1.0,0.1860993077924748,0.061544787882941536,0.012739017202385032,0.014872181481735317,0.06881382358988417
EOS-3-00922,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)nc4)n23)cc1F,JVLZADXIJBTGAL-UHFFFAOYSA-N,3,1,0.313,0,169,475.459,2.679,6,0.476,0.92,1.0,0.3005105887190734,0.27177712288396955,0.06009697758892468,0.17023336303200604,0.2006545130559934
EOS-3-00923,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)cc1,JIIUQEIRXOCNDE-UHFFFAOYSA-N,3,1,0.4,74,139,426.415,2.809,5,0.47,0.85,1.0,0.24392605030498252,0.2011085600712768,0.43478856829552465,0.33285929682681104,0.3031706188746488
EOS-3-00924,Cn1nnnc1-c1cc(F)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,KPEWOCJXSLGFJI-UHFFFAOYSA-N,3,1,0.349,61,269,455.457,2.68,6,0.433,0.89,1.0,0.21379617572476184,0.1916678089233089,0.13073127270235077,0.2156209307107121,0.1879540470152834
EOS-3-00925,O=C(c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cc1)N1CCCC1,ILZGJFJPEZUWLY-UHFFFAOYSA-N,3,1,0.41,0,701,467.533,3.325,6,0.457,0.88,1.0,0.058991844287574535,0.01286752107463505,5.9968473716674664e-05,0.0005739839627167432,0.01812332944966075
EOS-3-00926,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(OC(F)F)nn4)n23)cc1,KPZLJWAVAURADE-UHFFFAOYSA-N,3,1,0.448,66,334,425.399,2.523,4,0.485,0.82,1.0,0.49865499280378317,0.3807998081008841,0.4197878829415393,0.2832996367623878,0.3956355801521486
EOS-3-00927,CC(NC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)nc1)C(F)F,ZUSVNRKJMQQBEH-UHFFFAOYSA-N,3,1,0.333,66,999,455.4,2.475,4,0.46,0.82,0.998,0.33619183058049484,0.3470461243232129,0.7371753135494483,0.5793211568775273,0.4999336063326708
EOS-3-00928,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)n23)nn1,DJAXJJDYLUAHBY-UHFFFAOYSA-N,3,1,0.373,63,306,422.88,2.539,5,0.512,0.86,1.0,0.0967120142553629,0.16629257761633884,0.023756082516619835,0.0752604345144267,0.09050527722568706
EOS-3-00929,Cc1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CCOC5)cn4)n23)c(C)n1,BXOQVKGGUITSMN-UHFFFAOYSA-N,3,1,0.386,63,108,446.471,1.691,5,0.47,0.79,1.0,0.19447776026317593,0.0033753683777671168,0.010622986772668083,0.006382358988417517,0.05371461860050716
EOS-3-00930,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(Cl)nc(-c5cccnc5)n4)n23)cc1,IHHHNJCRKLPMOS-UHFFFAOYSA-N,3,1,0.373,29,849,443.858,2.718,5,0.449,0.85,1.0,0.23315742581043108,0.18299808100884107,0.14282777054348572,0.12637070797066685,0.17133849633335618
EOS-3-00931,Cc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1C(=O)NC1CC1,MUATZAYNAKGEFX-UHFFFAOYSA-N,3,1,0.687,0,378,447.926,4.267,5,0.457,0.93,1.0,0.6576142827770544,0.4584332807895278,0.387482009457885,0.4815382770200809,0.496266962511137
EOS-3-00932,CC(C)c1ccc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,BOBLLBIMMKEKHV-UHFFFAOYSA-N,3,1,0.441,63,108,443.511,3.218,5,0.445,0.89,0.999,0.29266328558700566,0.05380028784867384,0.10563018298951408,0.07332430950585977,0.13135451648276336
EOS-3-00933,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cc4Cl)n23)cc1,GPWYWGTVMUYUTH-UHFFFAOYSA-N,3,1,0.593,90,133,443.294,3.474,4,0.491,0.82,1.0,0.7218833527516962,0.5215715166883695,0.49428586114728257,0.49356623946268247,0.5578267425125077
EOS-3-00934,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(OC(F)F)nc4)n23)nc1,MRSVJEXGSXPIBL-UHFFFAOYSA-N,3,1,0.34,63,505,438.398,2.061,5,0.466,0.79,1.0,0.3312144472620108,0.3027208553217737,0.14902165718593655,0.16234322527585499,0.236325046261394
EOS-3-00935,CC1COCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nc1,CNOJFFYDFCZPQV-UHFFFAOYSA-N,3,1,0.368,0,175,443.467,1.813,5,0.509,0.75,1.0,0.10167226372421356,0.0030669590843670756,0.030266945377287368,0.027097183195120278,0.04052583784524707
EOS-3-00936,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cn1,NHFUAZRSDDKAAX-UHFFFAOYSA-N,3,1,0.511,68,127,455.4,3.071,5,0.476,0.88,1.0,0.4862672195188815,0.48468233842779795,0.6578284558974711,0.5760057569734768,0.5511959427044069
EOS-3-00937,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,UIUBVYBRMPAPEH-UHFFFAOYSA-N,3,1,0.324,52,295,437.467,2.541,6,0.449,0.87,1.0,0.11979987663628264,0.03293982592008773,0.08118874648756083,0.0915204578164622,0.08136222671509835
EOS-3-00938,CCc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(Cl)nc3)n12,XPWYTAULHSBYOB-UHFFFAOYSA-N,3,1,0.34,63,334,433.903,3.28,5,0.468,0.83,0.994,0.20284764580906037,0.18736721266534165,0.04085566445068878,0.09737166746624631,0.13211054759783428
EOS-3-00939,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5COC5)cn4)n23)cc1,LCFYQGXTDXWBSB-UHFFFAOYSA-N,3,1,0.286,0,862,455.478,1.874,6,0.455,0.87,1.0,0.17179254334863958,0.061553354807758205,0.06618806113357549,0.07714515797409362,0.09416977931601672
EOS-3-00940,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cn1,KRTFKIYTLLATOM-UHFFFAOYSA-N,3,1,0.33,74,453,437.467,2.541,6,0.449,0.85,1.0,0.07812178740319375,0.01556610239188541,0.08616612980604482,0.09544410938249606,0.06882453224590501
EOS-3-00941,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cn4)n23)cc1,XHXRECYUPBAYIT-UHFFFAOYSA-N,3,1,0.358,52,916,449.478,2.521,6,0.419,0.86,1.0,0.09672058118017957,0.015574669316702077,0.10563874991433075,0.12841820300185045,0.08658805085326571
EOS-3-00942,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)cn4)n23)cc1,OXOQLGLIECIHFB-UHFFFAOYSA-N,3,1,0.415,62,837,425.427,3.414,5,0.474,0.92,1.0,0.2138047426495785,0.2666112672195189,0.5660766911109588,0.5138098828044685,0.3900756459461312
EOS-3-00943,Cc1noc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,ZWJDNZWVFXVMPY-UHFFFAOYSA-N,3,1,0.324,74,453,439.439,2.499,6,0.438,0.9,1.0,0.17180111027345624,0.07300733328764307,0.020860461928586115,0.024364334178603248,0.07250830991707216
EOS-3-00944,N#Cc1cc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)ccc1C(=O)NC1CC1,LYESYNZZHFIEEA-UHFFFAOYSA-N,3,1,0.408,63,568,431.847,1.984,5,0.506,0.76,1.0,0.20556336097594408,0.22579843739291344,0.08374169008292784,0.17309471592077308,0.1720495510931396
EOS-3-00945,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)c(F)c1,MHKRKQKKGWXZKV-UHFFFAOYSA-N,3,1,0.408,66,264,456.403,3.827,5,0.462,0.88,0.999,0.3287386059899938,0.4806044822150641,0.8703995613734494,0.8181241861421424,0.6244667089301624
EOS-3-00946,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)o1,RWUUKFCLMJAGMC-UHFFFAOYSA-N,3,1,0.337,52,582,438.451,3.104,6,0.444,0.9,1.0,0.09908505242957988,0.05009080940305668,0.06619662805839216,0.07715372489891029,0.07313155369748475
EOS-3-00947,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(F)c1,JIRFZUPHRPMGAZ-UHFFFAOYSA-N,3,1,0.551,90,133,426.839,2.96,4,0.509,0.8,1.0,0.7188335275169625,0.5630611335754917,0.5426547186621891,0.4905849496264821,0.5787835823452814
EOS-3-00948,CNC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)nc1,XKJCTWRMLFVEDI-UHFFFAOYSA-N,3,1,0.432,90,244,430.802,3.057,4,0.489,0.81,1.0,0.6609553834555548,0.512199300938935,0.770372147214036,0.7215835103831129,0.6662775854979097
EOS-3-00949,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,ZEBDQCLOZWTEHJ-UHFFFAOYSA-N,3,1,0.667,0,576,424.464,3.177,5,0.489,0.9,1.0,0.7490919059694332,0.4584418477143445,0.40196011239805357,0.4189568912343225,0.5071126893290385
EOS-3-00950,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(OC5CCCCC5)nn4)n23)cn1,PZGYEPQJQUQEID-UHFFFAOYSA-N,3,1,0.33,63,66,431.46,2.109,5,0.504,0.82,0.832,0.2758207113974368,0.08684291686656158,0.0011137002261668151,0.0018161880611335755,0.0913983791378247
EOS-3-00951,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)nc4)n23)cc1,CHEQFPDSYOWTPY-UHFFFAOYSA-N,3,1,0.379,0,701,469.549,3.619,5,0.479,0.88,1.0,0.030601055445137415,0.008489822493317799,0.0008909601809334521,0.0018247549859502434,0.010451648276334727
EOS-3-00952,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(C)o5)nc4)n23)cc1F,GZQATQIKEKLQCR-UHFFFAOYSA-N,3,1,0.398,14,357,443.442,3.239,5,0.444,0.87,1.0,0.3336645877595778,0.29278322253443906,0.3572921664039476,0.2502998423685834,0.30850995476663695
EOS-3-00953,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cn1,APFSDNMPYIBXSI-UHFFFAOYSA-N,3,1,0.568,68,127,429.362,2.539,4,0.52,0.79,1.0,0.7548317455966006,0.5878709478445617,0.7924319786169557,0.5138184497292851,0.6622382804468507
EOS-3-00954,COc1ccc(Cl)c(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,TVPTULREMCYGTK-UHFFFAOYSA-N,3,1,0.37,63,505,434.887,3.331,5,0.5,0.81,1.0,0.34559831402919605,0.3568809540127476,0.2648207799328353,0.33619183058049484,0.3258729696388184
EOS-3-00955,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4F)n23)cc1,RNYRMPATLBZJET-UHFFFAOYSA-N,3,1,0.367,62,124,427.443,3.358,5,0.475,0.88,1.0,0.24693304091563292,0.2613169076828182,0.5593345212802412,0.45050887533411005,0.37952333630320056
EOS-3-00956,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CCCC5)cc4)n23)nc1,PCBYIGJWUHJPPV-UHFFFAOYSA-N,3,1,0.396,52,821,452.482,2.28,6,0.407,0.92,1.0,0.07394969501747653,0.020509218011102736,0.0014135425947501884,0.003718045370433829,0.02489762524844082
EOS-3-00957,Cc1cccc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)n1,HFZUGLPIESCQJO-UHFFFAOYSA-N,3,1,0.511,63,536,432.459,3.148,5,0.482,0.85,1.0,0.542115002398739,0.2258070043177301,0.1905198409978754,0.21826811047906244,0.29417748954835177
EOS-3-00958,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cn4)n23)cc1,MJTVHRDQQHGSPB-UHFFFAOYSA-N,3,1,0.327,52,582,434.463,3.203,6,0.452,0.88,1.0,0.09909361935439655,0.029941402234253994,0.17084161469398945,0.21562949763552874,0.1288765334795422
EOS-3-00959,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnccn5)c4)n23)cc1,POHGIPIQEVCQJA-UHFFFAOYSA-N,3,1,0.34,52,517,434.463,3.203,6,0.452,0.88,1.0,0.15577239394147077,0.022693783839353027,0.1839747104379412,0.2182766774038791,0.14517939140566102
EOS-3-00960,COc1c(Cl)ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1F,OVMZSGLROOCHQY-UHFFFAOYSA-N,3,1,0.324,63,108,438.85,3.547,5,0.512,0.84,1.0,0.42234939346172296,0.48061304913988073,0.4055753546706874,0.48154684394489755,0.44752116030429717
EOS-3-00961,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)cn1,MJJWUODSWWHZDL-UHFFFAOYSA-N,3,1,0.457,68,900,456.388,2.466,5,0.47,0.84,1.0,0.5499965732300733,0.4893770132273319,0.3164279350284422,0.22703207456651361,0.39570839901309024
EOS-3-00962,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cccc(F)c5)ncn4)n23)cc1,FUSGDBDAJXVNTQ-UHFFFAOYSA-N,3,1,0.443,62,319,425.427,3.077,5,0.463,0.89,1.0,0.21941607840449592,0.1962425467754095,0.5393136179836886,0.4999657323007333,0.36373449386608186
EOS-3-00963,O=C(NCC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)nc1,WIFSPRFJKNULHL-UHFFFAOYSA-N,3,1,0.294,63,759,472.484,2.182,6,0.457,0.9,0.98,0.18337502570077446,0.11236378589541499,0.007101980673017614,0.02529812898362004,0.08203473031320677
EOS-3-00964,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4Cl)n23)nc1,OLTIAOIEKQSXKG-UHFFFAOYSA-N,3,1,0.404,63,505,439.306,3.976,5,0.509,0.83,0.986,0.15852237680762113,0.2104036734973614,0.3909944486327188,0.6246059214584333,0.3461316050990336
EOS-3-00965,COc1nc(C(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,TZJTVGCUVPTDHC-UHFFFAOYSA-N,3,1,0.298,63,108,437.41,3.087,5,0.494,0.82,0.999,0.27879343430882053,0.24616201768213283,0.26482934685765197,0.22704064149133027,0.2542063600849839
EOS-3-00966,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(OC(F)F)nc4)n23)c(F)c1,BZUHTAFGJUYFKC-UHFFFAOYSA-N,3,1,0.381,63,437,441.373,2.881,5,0.49,0.81,0.999,0.49613631690768284,0.6017493660475636,0.5192070454389692,0.5368977451853882,0.538497618394901
EOS-3-00967,CCNC(=O)c1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,SNDUSTXVOVBZEQ-UHFFFAOYSA-N,3,1,0.308,63,306,446.446,2.029,5,0.464,0.82,1.0,0.21381330957439518,0.18300664793365773,0.03143204715235419,0.03716331985470495,0.116353831128778
EOS-3-00968,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1,SXAYBDNKBBYVNP-UHFFFAOYSA-N,3,1,0.32,52,295,435.451,2.598,6,0.447,0.86,1.0,0.10667534781714756,0.014169693646768556,0.12260126105133301,0.1570402988143376,0.10012165033239667
EOS-3-00969,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)nc1,PTPGJJOFWKKBNB-UHFFFAOYSA-N,3,1,0.404,63,108,439.838,2.845,5,0.46,0.84,1.0,0.47118943184154616,0.3027294222465904,0.2721712014255363,0.36202110890274825,0.35202779110410526
EOS-3-00970,Cn1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)n1,LNSFRJNUZKHJAH-UHFFFAOYSA-N,3,1,0.382,52,916,451.494,2.465,6,0.422,0.89,1.0,0.20851895003769447,0.06567404564457542,0.060105544513741345,0.07906414913302721,0.10334067233225962
EOS-3-00971,CC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cn1,LONREBKHGTYDIL-UHFFFAOYSA-N,3,1,0.371,0,169,427.468,2.577,5,0.535,0.78,1.0,0.05216400520869029,0.009140908779384551,0.0127475841272017,0.018941470769652524,0.023248492221232264
EOS-3-00972,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,WEUQUKUYMBMVPW-UHFFFAOYSA-N,3,1,0.311,63,759,440.467,2.033,6,0.47,0.8,1.0,0.08246521828524433,0.024964018915769996,0.012207867863751628,0.022728051538619697,0.03559128915084641
EOS-3-00973,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1Cl,XLBFJFVTADLPEJ-UHFFFAOYSA-N,3,1,0.704,48,378,451.889,4.098,5,0.457,0.92,1.0,0.7607086560208347,0.5396562949763553,0.5528664930436571,0.682869577136591,0.6340252552943595
EOS-3-00974,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccn1,WCBSDWPCPZIKFG-UHFFFAOYSA-N,3,1,0.327,52,295,437.467,2.541,6,0.449,0.87,1.0,0.1504094990062367,0.015583236241518745,0.060114111438558014,0.08412720169967788,0.07755851209649783
EOS-3-00975,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(C(=O)N(C)C)c4)n23)cn1,UNDHCASUVCVNHN-UHFFFAOYSA-N,3,1,0.349,0,688,419.42,2.054,4,0.543,0.86,0.999,0.2926718525118224,0.21041224042217804,0.17441402234253991,0.07526900143924337,0.18819177917894592
EOS-3-00976,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,PIYGIHLFTBGKMI-UHFFFAOYSA-N,3,1,0.314,74,295,438.455,1.936,6,0.441,0.87,1.0,0.13904118977451854,0.032948392844904396,0.03267425125077102,0.047366527311356314,0.06300759029538756
EOS-3-00977,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(Cl)cc4)n23)cc1F,ZTFZZRGINCZNNG-UHFFFAOYSA-N,3,1,0.448,0,646,435.89,4.261,5,0.491,0.91,1.0,0.4020886162703036,0.4761496813103968,0.5223254060722363,0.6968850661366596,0.5243621924473991
EOS-3-00978,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,UAVVDYDTRZOXAZ-UHFFFAOYSA-N,3,1,0.381,0,862,444.47,3.239,5,0.476,0.84,1.0,0.2788020012336372,0.307869577136591,0.25063395243643344,0.24170721677746557,0.26975318689603184
EOS-3-00979,Cc1ccc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4C)n23)nn1,BTRAWMJAFXJTDT-UHFFFAOYSA-N,3,1,0.462,63,66,430.472,2.107,5,0.473,0.82,1.0,0.30576211363169076,0.10935679528476458,0.007847303132067713,0.005568501130834076,0.10713367829483927
EOS-3-00980,Cc1ncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)n1,BWWVPNFSNCDBIV-UHFFFAOYSA-N,3,1,0.467,63,306,437.41,2.639,5,0.462,0.84,1.0,0.4862757864436982,0.22581557124254678,0.2469930093893496,0.2742443972311699,0.30833219107669113
EOS-3-00981,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c(F)c1,GAWLWALXHZIGCP-UHFFFAOYSA-N,3,1,0.763,23,406,443.841,3.704,4,0.491,0.83,1.0,0.8484510999931465,0.7266636967993969,0.8782468645055171,0.8439534644643959,0.8243287814406141
EOS-3-00982,O=C(NC1CC1)c1ccc(Cl)c(Cc2cncc3nnc(-c4cc(F)ccc4F)n23)c1,ACKKNZJDCDWVNR-UHFFFAOYSA-N,3,1,0.375,23,646,439.853,4.206,5,0.505,0.82,0.999,0.26807621136316906,0.4185970803920225,0.7424011376876156,0.8677352477554657,0.5742024192995682
EOS-3-00983,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cn4)n23)cc1,OTZDUURTSDOPEF-UHFFFAOYSA-N,3,1,0.368,52,916,448.49,3.126,6,0.425,0.87,1.0,0.09672914810499623,0.027097183195120278,0.1490302241107532,0.17862894935234047,0.11287137619080255
EOS-3-00984,Cn1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)n1,WTEBVPDYEUCNPT-UHFFFAOYSA-N,3,1,0.315,82,974,438.455,1.936,6,0.441,0.84,1.0,0.06268418888355835,0.04268898636145569,0.017339455828935646,0.02028647796586937,0.03574977725995477
EOS-3-00985,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(Cl)nc3)n12,JYGRRVJVMGDQFM-UHFFFAOYSA-N,3,1,0.363,63,334,434.887,3.331,5,0.468,0.86,0.999,0.3546621204852306,0.2820917003632376,0.27217976835035296,0.30470838187924065,0.3034104927695155
EOS-3-00986,O=C(c1ccc(Cl)c(COc2cncc3nnc(-c4cccs4)n23)c1)N1CCOCC1,IQFSCGFOFMKZEG-UHFFFAOYSA-N,3,1,0.471,63,548,455.927,3.558,5,0.457,0.91,1.0,0.15578096086628743,0.04650126790487287,0.024766979644986635,0.11510520183674867,0.0855386025632239
EOS-3-00987,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(OC(F)F)c(F)c4)n23)nc1,KINSLFBYMXENDG-UHFFFAOYSA-N,3,1,0.374,63,505,454.412,3.41,5,0.46,0.86,0.891,0.5346189431841546,0.6547443629634706,0.6465286820642862,0.6737458022068399,0.6274094476046879
EOS-3-00988,Cn1cncc1-c1cncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,PTATUYJHABGIHR-UHFFFAOYSA-N,3,1,0.324,52,738,436.479,3.146,6,0.454,0.87,1.0,0.12260126105133301,0.018624494551435816,0.2147128366801453,0.23580460557878144,0.1479357994654239
EOS-3-00989,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)c(F)c1,YYCHASUVLFZKEO-UHFFFAOYSA-N,3,1,0.416,66,9,457.391,3.222,5,0.462,0.85,1.0,0.2496230553080666,0.40458159139195393,0.7112346652045781,0.6709272839421562,0.5090916489616887
EOS-3-00990,N#CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,QLJSZXNDBZESEM-UHFFFAOYSA-N,3,1,0.315,0,862,452.478,2.389,5,0.411,0.93,1.0,0.16392810636693853,0.08685148379137825,0.06408059762867521,0.06771297375094236,0.09564329038448359
EOS-3-00991,Cc1ccc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,AIDFHXHKLQSRFU-UHFFFAOYSA-N,3,1,0.557,63,536,432.459,3.148,5,0.482,0.85,1.0,0.5214858474402029,0.2154067575902954,0.2648379137824686,0.2802412446028374,0.3204929408539511
EOS-3-00992,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)cn1,VDOIJFWQGZLEHE-UHFFFAOYSA-N,3,1,0.5,63,66,436.863,2.143,5,0.468,0.84,1.0,0.4593071071208279,0.42749811527654036,0.026951545473236926,0.06772154067575903,0.24536957713659108
EOS-3-00993,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)nc1,YDVLMOYBZLUWLU-UHFFFAOYSA-N,3,1,0.351,63,505,421.411,3.002,5,0.514,0.84,1.0,0.0967377150298129,0.13967514221095195,0.3384277979576451,0.3908916455349188,0.24143307518333218
EOS-3-00994,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)nc1,SCWWUAPDDJJQGX-UHFFFAOYSA-N,3,1,0.267,52,100,434.463,3.203,6,0.452,0.9,1.0,0.08687718456582826,0.061561921732574874,0.19399801247344253,0.26254197793160167,0.15124477417586185
EOS-3-00995,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)OC)cc4)n23)cc1F,LPNMPBFGEDLNMW-UHFFFAOYSA-N,3,1,0.426,0,646,419.416,2.667,4,0.5,0.9,1.0,0.44306421766842574,0.33697998766362824,0.5121650332396683,0.30781817558769103,0.4000068535398533
EOS-3-00996,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nn4)n23)cc1F,QXMYRJQRVZBSCR-UHFFFAOYSA-N,3,1,0.314,52,523,452.453,3.342,6,0.435,0.88,0.994,0.1417140703173189,0.12893221849085051,0.25424062778425055,0.36202967582756496,0.22172914810499622
EOS-3-00997,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1,CIDAPDJMTUQEIC-UHFFFAOYSA-N,3,1,0.529,63,536,438.85,3.45,5,0.463,0.84,1.0,0.6731375505448565,0.38525460900555136,0.4808700568843808,0.5439911589335892,0.5208133438420944
EOS-3-00998,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1F,UOMAUHZJDGUARJ-UHFFFAOYSA-N,3,1,0.373,61,269,455.457,2.68,6,0.433,0.88,1.0,0.23316599273524777,0.28210026728805426,0.1278442190391337,0.20951271331642793,0.2131557980947159
EOS-3-00999,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)cc1,MYXDBUPPFQJJPC-UHFFFAOYSA-N,3,1,0.375,61,124,428.431,2.753,5,0.472,0.85,1.0,0.22495887876088,0.19625111370022616,0.4161812075937222,0.32633986704132684,0.2909327667740388
EOS-3-01000,CS(=O)(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cc1,QNSDSNMNQHZAQI-UHFFFAOYSA-N,3,1,0.44,66,455,434.403,2.594,4,0.486,0.79,1.0,0.2656517716400521,0.4496693167020766,0.8092745528065246,0.6768641628401069,0.5503649509971901
EOS-3-01001,O=C(c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)cc1)N1CCOCC1,DBEGVODTJHDKLM-UHFFFAOYSA-N,3,1,0.529,66,751,451.437,2.582,5,0.46,0.77,1.0,0.09910218627921322,0.012876087999451717,0.03144061407717086,0.08413576862449455,0.056888664245082585
EOS-3-01002,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cccnc5)nn4)n23)cc1,FTANRRGSYFQNIR-UHFFFAOYSA-N,3,1,0.404,52,916,449.478,2.521,6,0.419,0.87,1.0,0.06269275580837502,0.022702350764169692,0.04552463847577274,0.06950346103762593,0.050105801521485846
EOS-3-01003,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)cc1F,MGKUTOZDERGNLE-UHFFFAOYSA-N,3,1,0.354,61,269,428.431,2.753,5,0.472,0.84,1.0,0.26021177438146803,0.1873757795901583,0.4019686793228703,0.32956103077239396,0.29477931601672264
EOS-3-01004,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc1F,NMLWXPZXAYMBJT-UHFFFAOYSA-N,3,1,0.295,63,66,432.419,1.639,5,0.459,0.83,0.997,0.17751524912617367,0.17491947090672333,0.03664073744088822,0.03717188677952162,0.10656183606332671
EOS-3-01005,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cc4)n23)cc1F,WBPRZPQOULQGAU-UHFFFAOYSA-N,3,1,0.345,61,269,429.419,2.148,5,0.465,0.82,1.0,0.31373792063600847,0.21541532451511206,0.2506425193612501,0.21272531012267837,0.24813026865876223
EOS-3-01006,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5COC5)cn4)n23)cc1Cl,OTAZGIOKIKBQNQ-UHFFFAOYSA-N,3,1,0.333,63,999,463.885,1.995,5,0.464,0.89,1.0,0.3637944623397985,0.297760605852923,0.25065108628606675,0.2095212802412446,0.2804318586800082
EOS-3-01007,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnc5)c(F)c4)n23)cc1,HXWNQBIVVWVFPQ-UHFFFAOYSA-N,3,1,0.408,14,357,440.442,2.733,5,0.447,0.83,1.0,0.18610787471729148,0.2011171269960935,0.4492495373860599,0.34550407785621273,0.2954946542389144
EOS-3-01008,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nn4)n23)cn1,ITNNZPGQCNZZFU-UHFFFAOYSA-N,3,1,0.388,63,829,471.481,1.008,6,0.451,0.91,1.0,0.05052772256870674,0.0014992118429168666,0.00021417312041669523,0.00037694469193338357,0.013154513055993421
EOS-3-01009,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)nc1,OHOQJCDMSRNCIE-UHFFFAOYSA-N,3,1,0.413,68,806,444.377,2.324,4,0.481,0.78,0.999,0.5945445822767459,0.39483243095058596,0.4669745048317456,0.2066170927283942,0.4157421526968679
EOS-3-01010,Cc1cc(C(=O)NC2CC2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,CUQDHYACORKMLQ-UHFFFAOYSA-N,3,1,0.282,63,862,453.506,2.946,6,0.464,0.85,1.0,0.15308237954903708,0.04269755328627236,0.038020012336371735,0.06592248646425879,0.074930607908985
EOS-3-01011,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cnccc5F)c4)n23)cc1,QAWKMLSSSKHAFM-UHFFFAOYSA-N,3,1,0.424,14,319,439.454,3.338,5,0.451,0.85,1.0,0.26808477828798577,0.22043554245767938,0.5948358577205126,0.4967874031937496,0.39503589541498185
EOS-3-01012,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)cc1,JNPGGSYOIITTEW-UHFFFAOYSA-N,3,1,0.468,0,646,438.318,4.581,5,0.495,0.89,1.0,0.3409036392296621,0.39987834966760333,0.6434445891302858,0.7966897402508396,0.5452290795695977
EOS-3-01013,CN1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)nc2)CC1,PEUMLOPHMZUZJC-UHFFFAOYSA-N,3,1,0.346,63,686,443.471,0.735,5,0.488,0.75,0.999,0.014203961346035228,0.0002570077445000343,0.0007024878349667603,0.000402645466383387,0.0038915255979713524
EOS-3-01014,COc1ncc(C(F)(F)F)cc1COc1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,OQPWOLHITCVTOC-UHFFFAOYSA-N,3,1,0.53,66,12,444.373,2.892,4,0.486,0.82,1.0,0.7668083064903023,0.4672657802755123,0.9084281406346378,0.6884038105681585,0.7077265094921528
EOS-3-01015,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,PWZCUPLESKTIFA-UHFFFAOYSA-N,3,1,0.309,52,523,437.467,2.541,6,0.449,0.88,1.0,0.04166095538345555,0.07657974093619355,0.013304434240285106,0.024372901103419917,0.03897950791583853
EOS-3-01016,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cc5)nc4)n23)cc1,MNJRAPSMBYDTHT-UHFFFAOYSA-N,3,1,0.408,62,3,425.427,3.414,5,0.474,0.88,1.0,0.30319203618669044,0.3321311082173943,0.5822339113151943,0.5035038722500171,0.4302652319923241
EOS-3-01017,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(C(F)(F)F)c4)n23)cc1,RNOQLXSPFXRKGY-UHFFFAOYSA-N,3,1,0.462,66,225,429.377,3.9,4,0.5,0.86,1.0,0.5037865807689672,0.6547529298882873,0.9854704955109314,0.9494808443561099,0.7733727126310739
EOS-3-01018,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,ARYCDMRDHNUBFZ-UHFFFAOYSA-N,3,1,0.529,63,536,425.452,2.572,5,0.483,0.88,1.0,0.6368908916455349,0.3710677815091495,0.16780035638407237,0.17863751627715715,0.3385991364539785
EOS-3-01019,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)cn4)n23)cc1,HWMPLAFQTGTUJA-UHFFFAOYSA-N,3,1,0.375,74,139,442.87,3.323,5,0.454,0.86,1.0,0.28164622027277086,0.22044410938249606,0.36098451099993145,0.3170961551641423,0.2950427489548352
EOS-3-01020,CNC(=O)c1ccc(-c2nnc3cncc(COc4ccc(Cl)c(C(F)F)c4)n23)cc1,IGEIADSUAJFZFG-UHFFFAOYSA-N,3,1,0.495,66,646,443.841,4.321,4,0.48,0.89,1.0,0.8164108011788088,0.8452385031868961,0.9343602220546913,0.8752912754437667,0.8678252004660407
EOS-3-01021,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)no1,LJUWKVQAIZEOHG-UHFFFAOYSA-N,3,1,0.301,33,432,439.439,2.499,6,0.438,0.9,1.0,0.12820402988143376,0.08991844287574532,0.019969501747652663,0.024381468028236583,0.06561836063326708
EOS-3-01022,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1,WTAQVDLKFNZTPV-UHFFFAOYSA-N,3,1,0.586,90,636,427.827,2.355,4,0.503,0.78,1.0,0.7548403125214174,0.5122078678637516,0.31643650195325884,0.28024981152765405,0.46593362346652045
EOS-3-01023,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5Cl)n4)n23)cc1,FAFAZLAULLGQCN-UHFFFAOYSA-N,3,1,0.366,29,704,442.87,3.323,5,0.454,0.85,1.0,0.2415358782811322,0.30273798917140704,0.3089233088890412,0.32311870331025977,0.29407896991296006
EOS-3-01024,N#CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cn4)n23)nc1,UJZVODROGMQXGD-UHFFFAOYSA-N,3,1,0.269,63,759,453.466,1.738,5,0.435,0.84,1.0,0.07006031115070935,0.0205177849359194,0.0028870536632170517,0.003846549242683846,0.024327924748132414
EOS-3-01025,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)cc1F,VLSWIYPHPGQFHM-UHFFFAOYSA-N,3,1,0.347,82,478,426.415,2.809,5,0.47,0.87,1.0,0.252347337399767,0.23087005688438078,0.5324772119799877,0.4443064217668426,0.3650002570077445
EOS-3-01026,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)cc1F,JZBWVUYGZPSPDN-UHFFFAOYSA-N,3,1,0.588,66,12,442.401,3.592,4,0.47,0.85,1.0,0.6226355287505997,0.5122164347885683,0.7968867795216229,0.6365396477280515,0.6420695976972106
EOS-3-01027,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4Cl)n23)cc1,YUCCWKBASQQUJM-UHFFFAOYSA-N,3,1,0.382,61,917,445.874,2.662,5,0.452,0.84,1.0,0.2680933452128024,0.35688952093756426,0.25762456308683435,0.27136591049276954,0.28849333493249263
EOS-3-01028,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)nn1C,CAPAJVOINKSXLQ-UHFFFAOYSA-N,3,1,0.462,63,536,421.436,2.444,5,0.513,0.89,1.0,0.26566033856486876,0.2977691727777397,0.10035295730244671,0.10155232677678021,0.19133369885545884
EOS-3-01029,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)cn1,JANUYARLLJJDKM-UHFFFAOYSA-N,3,1,0.324,74,450,425.456,2.27,6,0.463,0.87,1.0,0.022728051538619697,0.009980467411417997,0.09796278527859639,0.1057843876362141,0.059113922966212054
EOS-3-01030,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cnccn5)n4)n23)cc1,KYECLFHKVNYAGC-UHFFFAOYSA-N,3,1,0.327,29,849,436.439,1.992,6,0.438,0.85,1.0,0.1198084435610993,0.02497258584058666,0.022847988486053045,0.03295695976972106,0.050146494414365014
EOS-3-01031,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cc4F)n23)cc1,TZHLAVPJXRSDQX-UHFFFAOYSA-N,3,1,0.371,62,124,427.443,3.358,5,0.475,0.87,1.0,0.22778596395038037,0.23087862380919746,0.6770012336371736,0.5569443492563909,0.4231525426632856
EOS-3-01032,COc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1,DMZMRAOTMMSEQT-UHFFFAOYSA-N,3,1,0.337,63,306,422.395,3.032,5,0.531,0.85,1.0,0.4961448838324995,0.427506682201357,0.3984990747721198,0.44762182167089304,0.44244311561921734
EOS-3-01033,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ncc(F)cn5)c4)n23)cc1,YQZXPRAVRFWYLD-UHFFFAOYSA-N,3,1,0.452,62,319,439.454,3.338,5,0.451,0.83,1.0,0.3137464875608252,0.21042080734699473,0.49789253649509974,0.39992118429168666,0.35549525392365156
EOS-3-01034,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)cc1,YAHXZWZOEQOWAZ-UHFFFAOYSA-N,3,1,0.396,0,901,416.416,2.351,5,0.55,0.89,1.0,0.28438763621410457,0.1508635460215201,0.1708501816188061,0.197621821670893,0.20093079638133096
EOS-3-01035,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1,ZZZDSGFOTCAGAU-UHFFFAOYSA-N,3,1,0.365,62,331,440.442,3.07,6,0.451,0.85,0.999,0.06608525803577547,0.17492803783153998,0.1871701733945583,0.29208073469947227,0.1800660509903365
EOS-3-01036,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4c(F)ccc(F)c4Cl)n23)nc1,RTVRIUFXQXACOM-UHFFFAOYSA-N,3,1,0.385,63,505,440.841,3.601,5,0.479,0.8,0.997,0.21660612706462887,0.31289836200397503,0.5461414570625728,0.7080734699472278,0.4459298540196011
EOS-3-01037,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4csc(C(F)(F)F)n4)n23)cc1,JBRFBKZLXRCCGI-UHFFFAOYSA-N,3,1,0.595,66,12,448.43,3.248,4,0.487,0.84,1.0,0.7156123637858954,0.5775392365156603,0.5981683914741964,0.3295695976972106,0.5552223973682406
EOS-3-01038,COCCn1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)n1,LFBDZKYGRYGLDZ-UHFFFAOYSA-N,3,1,0.315,63,306,421.436,2.333,5,0.492,0.89,1.0,0.15309094647385374,0.1255311493386334,0.07895277911041053,0.12431464601466657,0.12047238023439107
EOS-3-01039,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4)n23)cc1F,UYBWEOHRGXJPCW-UHFFFAOYSA-N,3,1,0.523,90,12,446.364,3.283,4,0.473,0.87,1.0,0.8770132273319169,0.7266722637242136,0.9550407785621273,0.8458467548488795,0.8511432561167842
EOS-3-01040,COc1cc(C(=O)NC2CC2)ccc1-c1cncc2nnc(-c3cnc(C#N)c(Cl)c3)n12,MYIMSMKIPFWTRD-UHFFFAOYSA-N,3,1,0.327,63,437,445.87,3.279,5,0.5,0.86,0.969,0.4430727845932424,0.4045901583167706,0.37624220409841685,0.4094561716126379,0.40834032965526695
EOS-3-01041,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)s4)n23)cn1,RMUKAEFNPJDUPH-UHFFFAOYSA-N,3,1,0.418,63,829,435.469,1.486,5,0.514,0.78,1.0,0.006596532108834213,0.0020988965800836134,0.000762456308683435,0.0005825508875334111,0.002510108971283668
EOS-3-01042,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cc1,FLAJPESDIGRTEF-UHFFFAOYSA-N,3,1,0.684,48,378,425.851,3.565,4,0.51,0.82,1.0,0.9290058940442739,0.6836663011445412,0.7749297512165033,0.7162377492975122,0.7759599239257077
EOS-3-01043,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,RSZHIJHRYIEEFY-UHFFFAOYSA-N,3,1,0.792,90,948,426.839,2.96,4,0.509,0.81,1.0,0.836782948392845,0.6298917140703173,0.5660852580357755,0.5169967788362689,0.6374391748338017
EOS-3-01044,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)cc1F,WJLCIKXILZJMNJ-UHFFFAOYSA-N,3,1,0.365,74,274,444.405,2.948,5,0.454,0.82,1.0,0.30823795490370776,0.27178568980878626,0.5761685285449935,0.5035124391748338,0.4149261531080803
EOS-3-01045,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccccc4C(F)(F)F)n23)cc1,BRTUQQHKIRVHTN-UHFFFAOYSA-N,3,1,0.701,48,40,427.386,3.531,4,0.508,0.87,1.0,0.9212099924611061,0.6208878760879994,0.9589301624288945,0.8794291001302172,0.8451142827770544
EOS-3-01046,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5C)nc4)n23)cc1,BIQCHSOUWJZAOG-UHFFFAOYSA-N,3,1,0.356,0,829,457.494,2.074,5,0.499,0.76,1.0,0.08452984716606127,0.003726612295250497,0.026960112398053595,0.01954972243163594,0.03369157357275032
EOS-3-01047,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cc1F,LOYJRSQTRPWSEF-UHFFFAOYSA-N,3,1,0.354,96,802,425.427,3.414,5,0.474,0.89,1.0,0.27582927832225346,0.2461705846069495,0.5494568569666233,0.4784541840860805,0.3874777259954767
EOS-3-01048,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(C(F)F)nc4)n23)cc1,CHODMENFXGDJAK-UHFFFAOYSA-N,3,1,0.43,63,334,434.45,3.801,5,0.478,0.87,0.999,0.34792851757932974,0.1830152148584744,0.4492581043108766,0.45051744225892676,0.3576798197519019
EOS-3-01049,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cnc(F)cn5)c4)n23)cc1,HRQWRWGMKPLCET-UHFFFAOYSA-N,3,1,0.394,14,357,426.415,2.472,5,0.458,0.85,1.0,0.22779453087519705,0.1468456582825029,0.3985076416969365,0.3231272702350764,0.27406877527242823
EOS-3-01050,COCCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cc1,GYIZKGCEFRLIOX-UHFFFAOYSA-N,3,1,0.396,66,264,456.428,3.172,4,0.43,0.86,1.0,0.35932252758549793,0.28737749297512166,0.8333647453909945,0.5946902199986293,0.5186887464875609
EOS-3-01051,CCn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC)c(F)c5)n34)nc2)n1,PABWVSIKIJGBLF-UHFFFAOYSA-N,3,1,0.333,74,768,443.446,2.63,5,0.444,0.86,1.0,0.23317455966006442,0.24112466588993214,0.16780892330888905,0.12432321293948324,0.19160784044959223
EOS-3-01052,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccnc5)n4)n23)cc1,FFWZHENUZDEPJC-UHFFFAOYSA-N,3,1,0.314,29,849,435.451,2.598,6,0.447,0.84,1.0,0.16932526900143924,0.04270612021108903,0.050724761839490096,0.07527756836406004,0.08450842985401959
EOS-3-01053,Cn1ccnc1-c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,VLBMHBCPRQJVJL-UHFFFAOYSA-N,3,1,0.355,52,916,450.506,3.07,6,0.427,0.86,1.0,0.14723116989925297,0.02498115276540333,0.10293160167226373,0.1102306216160647,0.09634363648824618
EOS-3-01054,Cc1cnc(Cl)c(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,JFDWYVHSLATVSZ-UHFFFAOYSA-N,3,1,0.381,63,108,435.875,3.014,5,0.464,0.85,1.0,0.41753478171475567,0.27694297854842026,0.13360975944075115,0.1840775135357412,0.2530412583099171
EOS-3-01055,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(OC)n1,FCHMMEAJIVMMLG-UHFFFAOYSA-N,3,1,0.364,63,306,435.463,2.638,5,0.479,0.87,0.998,0.2843962031389213,0.20112569392091015,0.050733328764306765,0.05675587691042423,0.14825277568364062
EOS-3-01056,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc1,IEBBMVHAHPPFSU-UHFFFAOYSA-N,3,1,0.322,82,974,438.455,1.936,6,0.441,0.85,0.996,0.10904838599136454,0.036058186553354805,0.016568432595435542,0.021948461380302927,0.04590586663011445
EOS-3-01057,CC1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)C1,JQSPISPINIFDGC-UHFFFAOYSA-N,3,1,0.33,0,829,467.533,3.228,6,0.483,0.87,1.0,0.1252398738948667,0.01090569529161812,0.00547426495785073,0.01786203824275238,0.03987046809677198
EOS-3-01058,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)cc4)n23)cc1,LOFRTFFHPNTPIV-UHFFFAOYSA-N,3,1,0.359,0,21,468.561,4.224,5,0.473,0.95,1.0,0.06809848536769242,0.012884654924268385,0.0027585497909670344,0.00777876773353437,0.02288011445411555
EOS-3-01059,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)c(F)c1,RXGQTMIYXIYIFP-UHFFFAOYSA-N,3,1,0.408,66,264,456.403,3.827,5,0.462,0.87,1.0,0.27338770474950314,0.4321670893016243,0.8939072030703858,0.8724813241038997,0.6179858303063532
EOS-3-01060,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)n5)nc4)n23)cc1F,FWCLGDKEDALWGZ-UHFFFAOYSA-N,3,1,0.337,74,768,429.419,2.148,5,0.465,0.81,0.999,0.2439346172297992,0.22045267630731272,0.279787197587554,0.20952984716606127,0.2384260845726818
EOS-3-01061,COc1ncc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1F,HIJYRGBOFVMDEA-UHFFFAOYSA-N,3,1,0.364,63,108,421.392,2.414,5,0.505,0.88,1.0,0.45931567404564455,0.3470546912480296,0.10832019738194777,0.09545267630731273,0.2525358097457337
EOS-3-01062,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(C(F)F)n4)n23)cc1F,SVCSYCQJCJUAIL-UHFFFAOYSA-N,3,1,0.355,66,999,424.386,3.822,5,0.527,0.85,0.998,0.2954818038516894,0.385263175930368,0.6434531560551024,0.6913165650058255,0.5038786752107463
EOS-3-01063,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1,UZKXBESBVQHZGV-UHFFFAOYSA-N,3,1,0.477,63,536,421.848,2.706,5,0.51,0.85,1.0,0.5421235693235557,0.4045987252415873,0.14283633746830238,0.19485470495510931,0.32110333424713866
EOS-3-01064,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)cn5)cn4)n23)cc1,XAPNQCPLOYHHRM-UHFFFAOYSA-N,3,1,0.405,74,274,442.87,3.323,5,0.454,0.85,1.0,0.17752381605099032,0.20558906175039407,0.4347971352203413,0.37487149612775,0.2981953772873689
EOS-3-01065,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1,HKWPVGCZDGPQPE-UHFFFAOYSA-N,3,1,0.651,90,133,426.839,2.96,4,0.476,0.83,1.0,0.7751610581865533,0.544333835926256,0.607617709546981,0.5100147351106846,0.6092818346926188
EOS-3-01066,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)cc1,GZHPEBPZCKBAQR-UHFFFAOYSA-N,3,1,0.406,66,334,420.423,3.607,5,0.515,0.87,1.0,0.23877732849016517,0.1508721129463368,0.5494654238914399,0.572955931738743,0.3780176992666712
EOS-3-01067,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnncc3Cl)n12,RTQCOPDVUWQTTQ-UHFFFAOYSA-N,3,1,0.387,63,9,435.875,2.726,5,0.496,0.79,1.0,0.27881056815845384,0.2927917894592557,0.1744225892673566,0.22387944623397985,0.2424760982797615
EOS-3-01068,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cncs4)n23)c(Cl)c1,PMRFBIMFYIMVMK-UHFFFAOYSA-N,3,1,0.591,63,536,440.916,3.415,5,0.473,0.84,1.0,0.3869765608937016,0.37107634843396614,0.11685285449934892,0.21563806456034543,0.2726359570968405
EOS-3-01069,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(OC5CC5)cc4)n23)nc1,XZPPTXZUMOKWJP-UHFFFAOYSA-N,3,1,0.357,63,505,426.48,3.211,6,0.488,0.84,1.0,0.27095469810156947,0.12553971626345006,0.0837502570077445,0.18146460146665752,0.1654273182098554
EOS-3-01070,COc1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4OC)n23)cn1,FOYDHJCEVKTOEX-UHFFFAOYSA-N,3,1,0.409,63,536,432.44,2.888,5,0.474,0.84,1.0,0.2816547871975876,0.07658830786101022,0.1646305942019053,0.08241381673634432,0.15132187649921183
EOS-3-01071,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)nn4)n23)cc1,DMSVPZUAGZDSDQ-UHFFFAOYSA-N,3,1,0.372,0,437,423.383,2.742,5,0.508,0.83,1.0,0.5136556781577685,0.39988691659242,0.3724127887053663,0.3999297512165033,0.42147128366801456
EOS-3-01072,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,XIQYNBCUDRSQAZ-UHFFFAOYSA-N,3,1,0.337,52,582,436.479,3.146,6,0.454,0.86,1.0,0.08944726201082859,0.027105750119936947,0.15497566993352066,0.1702419299568227,0.11044265300527722
EOS-3-01073,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)c(Cl)c1,SOYGBCHQBBLMKV-UHFFFAOYSA-N,3,1,0.375,74,917,446.862,2.057,5,0.444,0.82,1.0,0.2278030978000137,0.282108834212871,0.1195428688917826,0.13280446850798439,0.19056481735316289
EOS-3-01074,Cc1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cn1,AJUDYBAJEMUNKX-UHFFFAOYSA-N,3,1,0.595,63,536,418.432,3.105,5,0.517,0.92,1.0,0.4640531834692619,0.26661983414433554,0.32370125419779316,0.31710472208895896,0.34286974847508733
EOS-3-01075,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)cc1,HAAVJSLGMXYTJN-UHFFFAOYSA-N,3,1,0.311,74,295,424.428,1.721,6,0.452,0.9,1.0,0.019575423206085945,0.02271091768898636,0.04713522034130629,0.0712939483243095,0.04017887739017202
EOS-3-01076,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CC(F)(F)C5)s4)n23)cc1,WFZSNPBENWKGEY-UHFFFAOYSA-N,3,1,0.438,66,334,454.462,2.634,5,0.499,0.78,0.999,0.16933383592625592,0.17493660475635667,0.1029401685970804,0.1417911726406689,0.14725044548009047
EOS-3-01077,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4F)n23)cc1,DOOHWMFRDKMOKY-UHFFFAOYSA-N,3,1,0.416,66,264,438.413,3.746,5,0.464,0.82,0.996,0.3312230141868275,0.3470632581728463,0.6309711465972174,0.627424439723117,0.484170464670002
EOS-3-01078,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1Cl,BZXBOMRQHGWUTR-UHFFFAOYSA-N,3,1,0.566,90,708,429.267,3.432,4,0.523,0.82,1.0,0.6171612637927489,0.5676358714275923,0.6282040298814338,0.6333784524707011,0.611594904393119
EOS-3-01079,Cn1nc(-c2cccc(F)c2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,NYRZFOBBBKTNCV-UHFFFAOYSA-N,3,1,0.37,62,269,454.469,3.285,6,0.437,0.88,1.0,0.09911075320402989,0.2154238914399287,0.10294873552189705,0.19243026523199233,0.152478411349462
EOS-3-01080,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncnc5)c4)n23)cc1C,XWXPSJSWYUVSOC-UHFFFAOYSA-N,3,1,0.356,85,357,436.479,2.902,5,0.451,0.84,1.0,0.1557895277911041,0.0427146871359057,0.3349153587828113,0.20953841409087795,0.18573949695017475
EOS-3-01081,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5nnn(C)n5)c4)n23)cc1,IYUDMXBZZSGBLO-UHFFFAOYSA-N,3,1,0.353,61,269,429.419,2.148,5,0.465,0.83,1.0,0.25466040710026727,0.17494517168117332,0.2542491947090672,0.2066256596532109,0.22262010828592968
EOS-3-01082,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)nc4)n23)cc1,LCLXWSDBSXAEBG-UHFFFAOYSA-N,3,1,0.32,74,453,436.439,1.992,6,0.438,0.84,1.0,0.14723973682406963,0.02498971969022,0.04380268658762251,0.06437187307244191,0.07010100404358852
EOS-3-01083,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cc1,QINWGNKYFQKHGL-UHFFFAOYSA-N,3,1,0.337,29,704,434.463,3.203,6,0.452,0.86,1.0,0.2002347337399767,0.05780960866287437,0.08119731341237749,0.1263792748954835,0.11640523267767802
EOS-3-01084,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(C(=O)N5CCOCC5)n4)n23)cc1,QFQLCCHYILLGNN-UHFFFAOYSA-N,3,1,0.481,63,548,460.454,0.732,5,0.439,0.89,0.996,0.18054794051127407,0.0023644712494003154,0.001122267150983483,0.00046261394010006166,0.04612432321293948
EOS-3-01085,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccccn5)n4)n23)cc1,GMQYYOOKALABIX-UHFFFAOYSA-N,3,1,0.442,14,319,425.427,3.077,5,0.463,0.87,1.0,0.21132890137756152,0.19167637584812555,0.41231752450140496,0.36837776711671577,0.29592514221095195
EOS-3-01086,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(C(F)F)nn3)n12,XYMOXOCHRDWLIX-UHFFFAOYSA-N,3,1,0.368,66,334,451.437,3.011,5,0.46,0.83,1.0,0.254668974025084,0.23088719073401412,0.2836423137550545,0.247421355630183,0.2541549585360839
EOS-3-01087,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(Cl)n4)n23)c(F)c1,HHZVSRPHEGRKQS-UHFFFAOYSA-N,3,1,0.384,0,999,451.849,2.637,5,0.449,0.89,0.997,0.20557192790076073,0.32287882941539303,0.21163731067096156,0.3078267425125077,0.26197870262490575
EOS-3-01088,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc(C)o5)c(F)c4)n23)cc1F,PHOSPTBFPNLTOI-UHFFFAOYSA-N,3,1,0.36,61,648,447.405,3.455,5,0.449,0.88,1.0,0.3570608594338976,0.2977777397025564,0.5660938249605921,0.4935748063874991,0.42862680762113636
EOS-3-01089,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)cc1,APYPTJAOBOBBCF-UHFFFAOYSA-N,3,1,0.558,63,536,436.422,3.595,5,0.476,0.85,1.0,0.4812298677266808,0.2666284010691522,0.582242478240011,0.5502193132753067,0.47008001507778774
EOS-3-01090,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)cc1F,IPLCBLNVWINVJF-UHFFFAOYSA-N,3,1,0.347,74,768,429.419,2.148,5,0.465,0.82,1.0,0.25467754094990064,0.23089575765883077,0.239916729490782,0.19486327187992597,0.23008832499485987
EOS-3-01091,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cc1,RUBLNQBRSJOHKJ-UHFFFAOYSA-N,3,1,0.308,74,997,423.44,2.326,6,0.461,0.9,1.0,0.0237389486669865,0.024998286615036665,0.07251901857309301,0.11023918854088137,0.05787386059899939
EOS-3-01092,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cnc(F)cn5)c4)n23)cc1,XEOSUNUFOCYVEL-UHFFFAOYSA-N,3,1,0.39,96,648,443.417,3.553,5,0.456,0.86,1.0,0.2954903707765061,0.22582413816736344,0.7424097046124323,0.6679802618052224,0.48292611884038106
EOS-3-01093,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nncnn5)cc4)n23)cc1,HHLCVFXZERJILF-UHFFFAOYSA-N,3,1,0.385,52,916,449.478,2.521,6,0.419,0.86,1.0,0.21942464532931258,0.06568261256939209,0.11085600712768144,0.15176307312727025,0.1369315845384141
EOS-3-01094,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)c(Cl)c1,SNSVKHJNKZDUIO-UHFFFAOYSA-N,3,1,0.495,0,901,476.924,2.944,5,0.486,0.89,1.0,0.17180967719827292,0.11851483791378246,0.036649304365704884,0.09152902474127887,0.10462571105475979
EOS-3-01095,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1F,OZLVBMHKIXHJJE-UHFFFAOYSA-N,3,1,0.533,90,133,428.374,2.585,4,0.507,0.78,1.0,0.6942635871427593,0.46727434720032895,0.6714241655815228,0.6033599479130971,0.609080511959427
EOS-3-01096,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)nc1,WNSITVBRLQEOTK-UHFFFAOYSA-N,3,1,0.307,33,432,435.451,2.598,6,0.447,0.84,1.0,0.12821259680625044,0.05009937632787335,0.04086423137550545,0.06278699198135837,0.07049079912274689
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EOS-3-01098,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,VKDWNPGWAMPIAE-UHFFFAOYSA-N,3,1,0.33,61,269,437.467,2.541,6,0.449,0.86,1.0,0.18055650743609075,0.05781817558769104,0.06408916455349188,0.10156089370159688,0.10100618531971764
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EOS-3-01101,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)c(F)c1,LINNLSKVFIRECO-UHFFFAOYSA-N,3,1,0.5,68,900,447.352,2.678,4,0.469,0.81,1.0,0.8341700363237612,0.7174970872455624,0.8279932835309437,0.5854293742718114,0.7412724453430196
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EOS-3-01103,N#CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(F)cc5)n34)cc2F)CC1,JZDRXYBNAGITIP-UHFFFAOYSA-N,3,1,0.442,0,646,430.418,3.446,5,0.523,0.79,1.0,0.38698512781851824,0.41397950791583854,0.6134689191967652,0.7634929065862518,0.5444816153793434
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EOS-3-01105,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)cc1Cl,UUQWDWYMEYOVRJ-UHFFFAOYSA-N,3,1,0.452,48,646,426.307,4.439,4,0.512,0.9,1.0,0.4153673497361387,0.4496778836268933,0.721840518127613,0.7851072578987047,0.5929982523473374
EOS-3-01106,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)o5)nc4)n23)cc1F,CXVKEOSNQKVPPI-UHFFFAOYSA-N,3,1,0.36,96,648,429.415,3.315,5,0.466,0.86,1.0,0.3362003975053115,0.3027465560962237,0.4598125556850113,0.3391816873415119,0.3594852991570146
EOS-3-01107,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cncnn5)c4)n23)cc1F,OFQADHVMHZWSRY-UHFFFAOYSA-N,3,1,0.398,14,740,440.442,2.733,5,0.447,0.82,1.0,0.2788191350832705,0.21042937427181138,0.4942944280720992,0.43173017613597425,0.35381827839078883
EOS-3-01108,Cn1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)n1,JDJHCEGCFVDFCV-UHFFFAOYSA-N,3,1,0.364,52,916,452.482,1.86,6,0.413,0.87,0.999,0.10668391474196423,0.03295695976972106,0.020869028853402784,0.026137687615653486,0.046661897745185386
EOS-3-01109,COCc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ncc1F,VCECKIDYLFDAOT-UHFFFAOYSA-N,3,1,0.363,63,437,419.42,2.426,5,0.511,0.89,1.0,0.28988760194640534,0.187384346514975,0.07676821328216024,0.10793468576519773,0.16549371187718456
EOS-3-01110,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)cc1F,XPZOGKGHZFOIBK-UHFFFAOYSA-N,3,1,0.325,0,175,475.459,2.679,6,0.476,0.88,0.999,0.3593310945103146,0.24617915153176614,0.07252758549790966,0.18668185868000822,0.21617992255499965
EOS-3-01111,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncc(F)c5)cn4)n23)cc1F,VXRUSPOGAGZEMI-UHFFFAOYSA-N,3,1,0.357,74,155,444.405,2.948,5,0.454,0.85,1.0,0.289896168871222,0.2717942567336029,0.5885134672058118,0.5469381810705229,0.42428551847028995
EOS-3-01112,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nnc1Cl,ZHGFGZXSJWMZLV-UHFFFAOYSA-N,3,1,0.462,63,306,453.865,3.153,5,0.477,0.83,1.0,0.44765608937015966,0.40460729216640395,0.21821670893016243,0.31097937084504146,0.34536486532794186
EOS-3-01113,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)nc1,QCNQMBPETYWAJS-UHFFFAOYSA-N,3,1,0.433,90,457,423.864,2.606,4,0.486,0.81,0.999,0.3914484956480022,0.19625968062504284,0.14284490439311906,0.11740970461243232,0.2119906963196491
EOS-3-01114,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5F)n4)n23)cc1,PYAMWWCLNXQUHI-UHFFFAOYSA-N,3,1,0.366,29,704,426.415,2.809,5,0.47,0.86,1.0,0.2496316222328833,0.2666369679939689,0.30893187581385784,0.2773541909396203,0.2756386642450826
EOS-3-01115,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccon5)cc4)n23)nc1)N1CCOCC1,KXQKVXGJKUYPTC-UHFFFAOYSA-N,3,1,0.418,52,229,453.462,2.981,6,0.408,0.93,1.0,0.04017887739017202,0.0027157151668836953,0.013869851278185182,0.045952984716606124,0.025679357137961756
EOS-3-01116,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5(F)CC5)cc4)n23)cc1,DJTNZQVJTBMMGU-UHFFFAOYSA-N,3,1,0.387,0,862,430.443,3.007,5,0.474,0.84,1.0,0.3082465218285244,0.2204612432321294,0.30169282434377354,0.277362757864437,0.27694083681721604
EOS-3-01117,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncccn5)cn4)n23)cc1,UWAMGWMECDLSKH-UHFFFAOYSA-N,3,1,0.38,52,916,448.49,3.126,6,0.425,0.85,1.0,0.12524844081968337,0.036066753478171475,0.10832876430676444,0.13049139880748406,0.10003383935302584
EOS-3-01118,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cn4)n23)cc1Cl,LAMFHRMBXJABJB-UHFFFAOYSA-N,3,1,0.343,74,413,446.862,2.057,5,0.444,0.82,1.0,0.24154444520594887,0.24618771845658283,0.12260982797614968,0.12842676992666713,0.18469219039133714
EOS-3-01119,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5F)n4)n23)nc1,RHEIHEPSFVDWKA-UHFFFAOYSA-N,3,1,0.319,29,849,453.441,2.737,6,0.431,0.86,0.847,0.21382187649921183,0.24619628538139948,0.07033445274484271,0.13716503323966828,0.1668794119662806
EOS-3-01120,Cc1nc(C(C)C)n(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)n23)n1,YHUVQNGSMBVXFQ-UHFFFAOYSA-N,3,1,0.362,63,306,450.934,3.409,5,0.483,0.88,1.0,0.16934240285107258,0.17495373860599,0.013313001165101776,0.02274518538825303,0.09508858200260434
EOS-3-01121,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cncc(F)c5)n4)n23)cc1,QTKWPWLLJCGNSD-UHFFFAOYSA-N,3,1,0.34,29,849,453.441,2.737,6,0.431,0.86,0.994,0.2709632650263861,0.17496230553080666,0.10833733123158111,0.17025049688163937,0.18112834966760333
EOS-3-01122,CC(C)(C)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NCCO)cc4)n23)cn1,PUEGSGYBVRTQGQ-UHFFFAOYSA-N,3,1,0.384,63,364,431.5,2.192,4,0.48,0.87,1.0,0.15579809471592077,0.027114317044753616,0.0747035844013433,0.0105116167500514,0.06703190322801728
EOS-3-01123,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1C(=O)NC1CC1,YEWZSNWDROUGTL-UHFFFAOYSA-N,3,1,0.527,63,536,448.914,3.662,5,0.463,0.85,1.0,0.5973202659173463,0.39989548351723664,0.20807346994722775,0.27425296415598654,0.36988554588444933
EOS-3-01124,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CCOC5)c(F)c4)n23)nc1,BXBQLZWXXCPJIC-UHFFFAOYSA-N,3,1,0.363,0,175,473.468,2.314,6,0.473,0.9,1.0,0.2546861078747173,0.09927352477554657,0.013321568089918443,0.048728668357206496,0.10400246727434721
EOS-3-01125,CC1COCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)cc1,OCLIFQVPMXJNNM-UHFFFAOYSA-N,3,1,0.327,0,686,443.467,1.813,5,0.509,0.74,0.999,0.03861113014872181,0.0013278733465835104,0.028099513398670412,0.027105750119936947,0.02378606675347817
EOS-3-01126,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccncc5)cn4)n23)cc1,ZYACJCGYZONGIN-UHFFFAOYSA-N,3,1,0.31,52,517,434.463,3.203,6,0.452,0.87,1.0,0.052172572133506956,0.01708244808443561,0.15498423685833734,0.2095469810156946,0.10844655952299362
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EOS-3-01128,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)cn4)n23)c(OC)c1,YJZDQANPKORAOP-UHFFFAOYSA-N,3,1,0.386,63,5,423.864,2.584,4,0.507,0.8,0.997,0.33620896443012815,0.34707182509766293,0.18717874031937495,0.11024775546569804,0.245176821328216
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EOS-3-01139,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)cc1Cl,DURLRQNQEWHRMV-UHFFFAOYSA-N,3,1,0.385,66,685,454.868,4.26,5,0.47,0.87,1.0,0.2656689054896854,0.3710849153587828,0.684934206017408,0.7733106024261531,0.5237496573230074
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EOS-3-01141,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2)cn1,ZDMKVVLIGXVRBK-UHFFFAOYSA-N,3,1,0.308,74,295,426.444,1.665,6,0.454,0.89,1.0,0.03060962236995408,0.006442327462134192,0.03665787129052155,0.04597011856623946,0.02991998492221232
EOS-3-01142,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(C)cn5)nc4)n23)cc1F,WWVWTBHRRNZXQF-UHFFFAOYSA-N,3,1,0.39,85,357,454.469,3.041,5,0.435,0.87,1.0,0.22497601261051334,0.21544102528956205,0.3837896648619012,0.27426153108080326,0.27461705846069495
EOS-3-01143,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(Cl)nn5)cc4)n23)cc1,HPMSHZXVHZHIFJ-UHFFFAOYSA-N,3,1,0.449,62,740,442.87,2.986,5,0.443,0.84,1.0,0.2871718867795216,0.19168494277294224,0.3609930779247481,0.34236858337331233,0.29555462271263105
EOS-3-01144,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccncc5)nc(C)n4)n23)cc1,KLDVOIRCFVOYMP-UHFFFAOYSA-N,3,1,0.4,14,357,436.479,2.902,5,0.451,0.83,1.0,0.15309951339867042,0.03894524021657186,0.21822527585497908,0.12434034678911658,0.13365259406483448
EOS-3-01145,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)nn4)n23)cc1,PVVHPEKSOFQELK-UHFFFAOYSA-N,3,1,0.33,74,295,435.451,2.598,6,0.447,0.85,1.0,0.09912788705366321,0.03296552669453773,0.06620519498320883,0.1037625933794805,0.07551530052772257
EOS-3-01146,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cc5)nn4C)n23)cc1,SOYBRUPYCHJUHL-UHFFFAOYSA-N,3,1,0.385,61,124,428.431,2.753,5,0.472,0.84,1.0,0.16657528613528888,0.33213967514221093,0.22531868960318005,0.20955554794051126,0.23339729970529777
EOS-3-01147,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(C#N)cc(-c5cnn(C)c5)c4)n23)cc1,URWOVPHCUDHUII-UHFFFAOYSA-N,3,1,0.366,62,124,434.463,3.09,5,0.465,0.82,1.0,0.18611644164210814,0.08686005071619492,0.6633112877801385,0.5170053457610856,0.3633232814748818
EOS-3-01148,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)cc1F,NNWFPYSEYDZZEP-UHFFFAOYSA-N,3,1,0.404,66,306,458.379,2.617,5,0.458,0.79,1.0,0.2278116647248304,0.33698855458844496,0.4238314714550065,0.4189654581591392,0.35189928723185526
EOS-3-01149,CCCn1nc(C(F)F)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,CTEYVDCIMZPZKN-UHFFFAOYSA-N,3,1,0.324,63,792,438.442,3.29,5,0.475,0.85,0.998,0.17181824412308958,0.13968370913576864,0.015814543211568777,0.02990713453498732,0.08930590775135358
EOS-3-01150,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,UCYMNNTVTLNVQA-UHFFFAOYSA-N,3,1,0.373,61,269,455.457,2.68,6,0.433,0.9,1.0,0.23878589541498182,0.26132547460763483,0.1369251593448016,0.2211037625933795,0.21453507299019944
EOS-3-01151,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cn4ccc(CC5CCCC5)n4)n23)cc1,YEKCPCVPBJVZQZ-UHFFFAOYSA-N,3,1,0.367,63,701,441.539,3.661,6,0.473,0.87,1.0,0.09427044068261257,0.018633061476252485,0.0034696045507504624,0.029007607429237203,0.03634517853471318
EOS-3-01152,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccncn5)c4)n23)cc1,TWGBGSOMYHDMKR-UHFFFAOYSA-N,3,1,0.361,52,916,448.49,3.126,6,0.425,0.87,1.0,0.16658385306010554,0.04273182098553903,0.1708587485436228,0.1896374477417586,0.1424529675827565
EOS-3-01153,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)o1,FSQGHRFYDSULNS-UHFFFAOYSA-N,3,1,0.337,62,302,437.463,3.709,6,0.446,0.9,1.0,0.19726201082859296,0.06569974641902543,0.14005208690288534,0.16499040504420534,0.14200106229867726
EOS-3-01154,Cc1nc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccc1F,AXSJNQSXGJUSEN-UHFFFAOYSA-N,3,1,0.412,63,108,433.447,2.543,5,0.477,0.81,0.998,0.42461962853813995,0.14319614831060243,0.0789613460352272,0.09343088205057913,0.1850520012336372
EOS-3-01155,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cnn(C)c5)c4)n23)cc1,FVJWUASESQVOAF-UHFFFAOYSA-N,3,1,0.426,62,319,423.48,3.142,5,0.469,0.88,1.0,0.13653108080323487,0.08004077856212734,0.48087862380919744,0.3362003975053115,0.25841272016996775
EOS-3-01156,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4F)n23)nc1,TYMVZXICSQGDIK-UHFFFAOYSA-N,3,1,0.389,63,505,440.841,3.601,5,0.479,0.81,0.999,0.19449489411280926,0.29778630662737304,0.5822510451648276,0.7215920773079295,0.44903108080323484
EOS-3-01157,CCn1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1C(F)F,PUSLMUOVFSUSKD-UHFFFAOYSA-N,3,1,0.347,63,437,423.427,3.505,5,0.513,0.86,1.0,0.20285621273387705,0.13218764992118429,0.2506596532108834,0.27737132478925364,0.2157687101637996
EOS-3-01158,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,LKKFUCVVJNANPD-UHFFFAOYSA-N,3,1,0.327,52,295,438.455,1.936,6,0.441,0.86,1.0,0.17182681104790623,0.061570488657391544,0.024775546569803304,0.03835412240422178,0.0741317421698307
EOS-3-01159,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc(Cl)c1F,OHUXNNAQWFHROK-UHFFFAOYSA-N,3,1,0.451,63,683,452.877,3.758,5,0.478,0.86,1.0,0.4912446028373655,0.3568980878623809,0.4808871907340141,0.5403159481872387,0.46733645740524976
EOS-3-01160,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)nn4C)n23)cc1,ADYDNLUZKZWPOM-UHFFFAOYSA-N,3,1,0.36,62,124,424.468,3.004,5,0.465,0.89,1.0,0.070068878075526,0.0657083133438421,0.07034301966965938,0.05129017887739017,0.06435259749160442
EOS-3-01161,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cc(F)ccc5F)cn4)n23)cc1,NOPRHZJUERNVGZ-UHFFFAOYSA-N,3,1,0.429,96,837,429.39,3.292,5,0.469,0.86,1.0,0.23045027756836406,0.2873860598999383,0.737183880474265,0.7189534644643959,0.49349342060174084
EOS-3-01162,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(C(F)(F)F)c4F)n23)nc1,BJCTYLMITCKUKJ-UHFFFAOYSA-N,3,1,0.346,66,999,442.376,3.903,5,0.485,0.85,1.0,0.3235384826262765,0.44968645055170997,0.89983551504352,0.8809111781235008,0.6384929065862519
EOS-3-01163,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cccc(C(F)F)n4)n23)cc1,XEPWSUHGSVBCGY-UHFFFAOYSA-N,3,1,0.441,66,334,434.45,3.801,5,0.478,0.85,1.0,0.3362175313549448,0.1916935096977589,0.36836063326708246,0.3874220409841683,0.3209234288259886
EOS-3-01164,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOC(C)C5)cc4)n23)cn1,IISVLRMWQYRDOI-UHFFFAOYSA-N,3,1,0.351,0,829,457.494,2.074,5,0.499,0.8,1.0,0.07602289082311013,0.008498389418134467,0.01904427386745254,0.016636967993968885,0.030050630525666505
EOS-3-01165,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(OC)C5)cn4)n23)nc1,HMSGJHSQCSMISN-UHFFFAOYSA-N,3,1,0.287,63,686,444.455,1.079,5,0.484,0.82,0.995,0.24394318415461586,0.080049345486944,0.014520937564251936,0.009372215749434584,0.0869714207388116
EOS-3-01166,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)cc4)n23)cc1F,SPCXVUQQYVGKCD-UHFFFAOYSA-N,3,1,0.345,61,648,440.442,3.117,5,0.457,0.82,1.0,0.2602203413062847,0.22046981015694606,0.43480570214515796,0.3620382427523816,0.31938352409019255
EOS-3-01167,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(C)c1,CZJWUGBPZXLDCZ-UHFFFAOYSA-N,3,1,0.295,63,175,441.495,2.804,5,0.476,0.83,1.0,0.1718353779727229,0.06571688026865877,0.06012267836337468,0.04081282982660544,0.08462194160784045
EOS-3-01168,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(F)c4)n23)c(Cl)c1,LUQXULMCAIRZDB-UHFFFAOYSA-N,3,1,0.418,0,646,439.853,4.206,5,0.505,0.81,1.0,0.3210283736549928,0.4846909053526146,0.7660030155575355,0.8710249468850662,0.6106868103625522
EOS-3-01169,NC(=O)c1ccc(-c2nnc3cncc(Cc4ncccc4OCC(F)(F)F)n23)cn1,VCPWKGKOJWBCAW-UHFFFAOYSA-N,3,1,0.404,68,455,429.362,2.212,4,0.499,0.78,0.998,0.5886848057021452,0.5351586594476047,0.6340209718319512,0.44431498869165925,0.5505448564183401
EOS-3-01170,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(C)n4)n23)cn1,KRPVOMGAULLCFA-UHFFFAOYSA-N,3,1,0.38,63,829,458.482,1.389,5,0.486,0.81,0.999,0.03315399904050442,0.002724282091700363,0.001567747241450209,0.0006082516619834145,0.009513570008909603
EOS-3-01171,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)nc4)n23)cc1,KWEOQASZDIOPLY-UHFFFAOYSA-N,3,1,0.415,14,357,426.415,2.472,5,0.458,0.83,0.999,0.28166335412240423,0.1663011445411555,0.3237098211226098,0.2625505448564183,0.25855621616064695
EOS-3-01172,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)cc1,FPTABRQWBLYSQL-UHFFFAOYSA-N,3,1,0.348,62,997,440.442,3.07,6,0.451,0.86,1.0,0.06270132273319169,0.17027619765608937,0.23277191419368104,0.34552121170584604,0.20281766157220205
EOS-3-01173,Cn1nc(C(C)(C)C)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)n12,CCDXJOKQMALIFR-UHFFFAOYSA-N,3,1,0.333,63,792,450.934,3.43,5,0.511,0.9,0.991,0.10669248166678089,0.18302378178329107,0.01387841820300185,0.014289630594201906,0.07947107806181893
EOS-3-01174,Cn1c(CC(F)F)cnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,NDBJTTCIUUXCNI-UHFFFAOYSA-N,3,1,0.337,63,66,424.415,2.287,5,0.51,0.81,0.683,0.1390497566993352,0.17028476458090605,0.07035158659447605,0.11741827153724899,0.12427609485299157
EOS-3-01175,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(F)c(C(F)(F)F)n4)n23)cn1,JPPZUBLNSCJANR-UHFFFAOYSA-N,3,1,0.388,68,66,444.352,2.693,5,0.482,0.78,1.0,0.32354704955109315,0.43217565622644094,0.41618977451853884,0.3967342882598862,0.39216169213898977
EOS-3-01176,CCNC(=O)c1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccc1F,WNESMKJMFZEZET-UHFFFAOYSA-N,3,1,0.356,63,505,460.473,1.953,5,0.432,0.83,1.0,0.16935096977588926,0.1962682475498595,0.01734802275375231,0.01664553491878555,0.09990319374957166
EOS-3-01177,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1,VRCYJZHWZASDPK-UHFFFAOYSA-N,3,1,0.337,52,582,434.463,3.203,6,0.452,0.87,1.0,0.11160132958673155,0.02995853608388733,0.17752381605099032,0.21273387704749502,0.13295438969227605
EOS-3-01178,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cc4)n23)cc1F,RRDKMFVXUIUECL-UHFFFAOYSA-N,3,1,0.349,61,648,427.443,3.358,5,0.475,0.86,1.0,0.22498457953533,0.22584127201699677,0.6606812418614214,0.5633438420944418,0.41871273387704755
EOS-3-01179,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccncc5)cn4)n23)cc1F,CXODPZZLIGMSOK-UHFFFAOYSA-N,3,1,0.327,82,453,452.453,3.342,6,0.435,0.88,1.0,0.1282211637310671,0.18739291343979164,0.257633130011651,0.34552977863066275,0.22969424645329312
EOS-3-01180,CC1COCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cc1,IREYHPBLVWBMKF-UHFFFAOYSA-N,3,1,0.349,0,829,443.467,1.813,5,0.509,0.74,1.0,0.0537831539990405,0.0033839353025837847,0.0237646494414365,0.0227537523130697,0.02592137276403262
EOS-3-01181,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)nc1,NDQDUGDSHKZLBN-UHFFFAOYSA-N,3,1,0.454,63,108,419.42,2.234,5,0.489,0.89,1.0,0.3936159276266191,0.13219621684600097,0.11086457405249811,0.15704886573915428,0.19843139606606808
EOS-3-01182,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cc1F,YSUZBORQTBMCDV-UHFFFAOYSA-N,3,1,0.35,74,155,444.405,2.948,5,0.454,0.83,1.0,0.3261256939209102,0.2613340415324515,0.5048060448221506,0.4476303885957097,0.3849740422178055
EOS-3-01183,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,BABDPBSUXISRCR-UHFFFAOYSA-N,3,1,0.327,52,295,437.467,2.541,6,0.449,0.82,1.0,0.12260982797614968,0.036075320402988144,0.05818655335480776,0.0752861352888767,0.07303945925570557
EOS-3-01184,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5csnn5)cc4)n23)cc1,TZTOZWAJCHZYKH-UHFFFAOYSA-N,3,1,0.413,62,319,427.493,3.26,5,0.462,0.87,1.0,0.1612466588993215,0.08005791241176068,0.3498646425878966,0.25934651497498457,0.21262893221849083
EOS-3-01185,N#Cc1ccc(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cn2)c1,OQLIVODDODYQMC-UHFFFAOYSA-N,3,1,0.324,96,776,436.41,3.025,5,0.457,0.85,1.0,0.26022890823110134,0.21544959221437873,0.6903827702008087,0.665024672743472,0.4577714858474402
EOS-3-01186,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5F)c4)n23)cc1,GNWROBMQOCVXPZ-UHFFFAOYSA-N,3,1,0.362,62,246,439.454,3.675,6,0.451,0.87,1.0,0.0590004112123912,0.20559762867521075,0.3874905763827017,0.47846275101089714,0.2826378418203002
EOS-3-01187,COCc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1Cl,UOTHXKMSCXYHDV-UHFFFAOYSA-N,3,1,0.359,0,999,434.887,3.545,5,0.498,0.87,1.0,0.3109965046946748,0.3369971215132616,0.22903673497361388,0.3171132890137756,0.2985359125488315
EOS-3-01188,O=C(c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1)N1CC(F)C1,JPIXVGCKUAUJGD-UHFFFAOYSA-N,3,1,0.518,0,169,440.385,3.249,5,0.474,0.86,1.0,0.5601997806867247,0.6163902405592488,0.4808957576588308,0.5884363648824618,0.5614805359468165
EOS-3-01189,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(C)cn5)nc4)n23)cc1,RKPVYNAUMOGEIH-UHFFFAOYSA-N,3,1,0.385,52,357,436.479,2.902,5,0.451,0.83,1.0,0.17459392776368995,0.05010794325269002,0.2576416969364677,0.13952093756425193,0.15546612637927493
EOS-3-01190,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccccc5)cn4)n23)cc1F,PSIMGGOWFHLLPU-UHFFFAOYSA-N,3,1,0.349,62,648,425.427,3.414,5,0.474,0.89,1.0,0.23601021177438147,0.2309128915084641,0.4879206360084984,0.46636625316976216,0.35530249811527653
EOS-3-01191,O=C(c1cnc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1)N1CCCC1,ZWLUREGNAFBFMT-UHFFFAOYSA-N,3,1,0.532,78,345,419.876,3.062,5,0.505,0.88,1.0,0.19186484819409225,0.25608251661983417,0.0020988965800836134,0.02901617435405387,0.11976560893701596
EOS-3-01192,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C(F)(F)F)c4)n23)nc1,PHVBUAYNSOUDPC-UHFFFAOYSA-N,3,1,0.446,68,457,446.364,3.283,4,0.473,0.83,1.0,0.8317884312247276,0.6017579329723802,0.9609176889863614,0.8752998423685834,0.8174409738880132
EOS-3-01193,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)nc1,SVMJRKQHHCVSON-UHFFFAOYSA-N,3,1,0.434,63,108,453.865,2.888,5,0.458,0.81,1.0,0.4406569117949421,0.26664553491878557,0.2327804811184977,0.342377150298129,0.3206150195325886
EOS-3-01194,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)cc1F,JOLCQECZZXTAJX-UHFFFAOYSA-N,3,1,0.527,63,306,453.865,2.888,5,0.458,0.81,1.0,0.5688266739771092,0.3901977246247687,0.14587759577821946,0.2593550818998012,0.3410642690699746
EOS-3-01195,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)cc4)n23)c(Cl)c1,RXSGXSDWAXQVCQ-UHFFFAOYSA-N,3,1,0.357,61,124,444.886,3.267,5,0.456,0.82,1.0,0.1585309437324378,0.2560910835446508,0.45982968953464465,0.434985607566308,0.3273593310945103
EOS-3-01196,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)cc1,PDEOELZIMSFOIV-UHFFFAOYSA-N,3,1,0.327,74,246,423.44,2.326,6,0.461,0.91,1.0,0.025872112946336782,0.012893221849085052,0.054562744157357276,0.07333287643067644,0.041665238845863886
EOS-3-01197,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ncc(-c5cncnc5)cc4F)n23)cc1,XBVAPVQTFMJQGY-UHFFFAOYSA-N,3,1,0.383,52,916,466.48,3.265,6,0.409,0.93,1.0,0.21943321225412926,0.18740148036460832,0.28365088067987115,0.33919025426632854,0.25741895689123434
EOS-3-01198,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)n(C)n5)nc4)n23)cc1,RONQXDRHASAZBE-UHFFFAOYSA-N,3,1,0.333,74,333,425.456,2.317,5,0.47,0.86,1.0,0.11982557741073264,0.07659687478582689,0.06815845384140909,0.030823795490370776,0.07385117538208484
EOS-3-01199,COCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)cc1,HHVSGBDVIRZHMS-UHFFFAOYSA-N,3,1,0.35,66,437,429.362,2.601,4,0.486,0.88,0.999,0.3570694263587143,0.28211740113768763,0.8280018504557604,0.6274330066479337,0.523655421150024
EOS-3-01200,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccc(C)nn5)c4)n23)cc1,IZLNYXSKRFYTAW-UHFFFAOYSA-N,3,1,0.376,62,740,436.479,2.902,5,0.451,0.82,1.0,0.16393667329175518,0.05011651017750668,0.24700157631416628,0.14411280926598588,0.1512918922623535
EOS-3-01201,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C(F)c4ncc(Cl)cc4F)n23)cc1,OYJZHWFRJGHRBJ-UHFFFAOYSA-N,3,1,0.429,66,685,440.841,3.93,5,0.508,0.81,1.0,0.32103694057980947,0.36637310670961554,0.6714327325063395,0.7294907819888973,0.5220833904461655
EOS-3-01202,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)nn1,HQDDSTNLVKWBEH-UHFFFAOYSA-N,3,1,0.317,52,295,437.467,2.541,6,0.449,0.87,1.0,0.05900897813720787,0.027122883969570282,0.07896991296004387,0.09738023439106298,0.06562050236447124
EOS-3-01203,CCc1nn(CC)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4COC4)c(F)c3)n12,WLHVWHNYBPDXRE-UHFFFAOYSA-N,3,1,0.33,63,792,435.463,2.505,5,0.5,0.77,1.0,0.16394524021657186,0.17497087245562332,0.10564731683914742,0.09947056404632992,0.13600849838941814
EOS-3-01204,O=C(NC1CCC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)c(F)c1,NFNRANHVTVNDPF-UHFFFAOYSA-N,3,1,0.408,63,9,452.44,4.136,5,0.475,0.87,0.924,0.28440477006373793,0.38527174285518473,0.5359211157562881,0.6066410801178809,0.4530596771982729
EOS-3-01205,Cn1cncc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,MAUKHSQSOAIRFM-UHFFFAOYSA-N,3,1,0.324,62,302,435.491,3.751,6,0.454,0.9,1.0,0.13905832362415188,0.017091015009252277,0.3053594681653074,0.33919882119114525,0.2001769069974642
EOS-3-01206,Cn1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,CEVXQIUFGVMYKB-UHFFFAOYSA-N,3,1,0.324,74,453,438.455,1.936,6,0.441,0.85,1.0,0.12261839490096635,0.025006853539853335,0.02810808032348708,0.03296552669453773,0.05217471386471112
EOS-3-01207,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccn5)n4)n23)cc1,CKQXZDDVCKLISP-UHFFFAOYSA-N,3,1,0.314,29,849,435.451,2.598,6,0.447,0.83,1.0,0.13653964772805155,0.03608388732780481,0.03666643821533822,0.05677301076005757,0.06651574600781304
EOS-3-01208,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)c(C)c1,KGPBAVZXLMPJHR-UHFFFAOYSA-N,3,1,0.37,66,455,427.39,2.859,4,0.538,0.75,1.0,0.30052772256870675,0.3181498869165924,0.772796586937153,0.5100233020355014,0.4753743746144884
EOS-3-01209,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nncn5C)nc4)n23)cc1,VFRORTXBFKHIDA-UHFFFAOYSA-N,3,1,0.381,74,740,425.456,1.932,5,0.457,0.85,1.0,0.13368686176410116,0.05782674251250771,0.11087314097731478,0.06121924473990816,0.09090149749845795
EOS-3-01210,CCOC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1F,NZZUCJOOJAIINX-UHFFFAOYSA-N,3,1,0.324,0,688,446.442,3.061,5,0.453,0.89,0.999,0.32613426084572683,0.19627681447467618,0.154992803783154,0.1517716400520869,0.20729387978891098
EOS-3-01211,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cc1F,IXDGTSJJKUAVMY-UHFFFAOYSA-N,3,1,0.339,74,450,442.418,1.86,6,0.437,0.83,1.0,0.04018744431498869,0.13583715989308479,0.11088170790213145,0.1786460832019738,0.11638809882804468
EOS-3-01212,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5F)nc4)n23)cc1,WXJBSYCBUGXJNP-UHFFFAOYSA-N,3,1,0.378,62,302,451.465,3.947,6,0.435,0.92,1.0,0.19450346103762595,0.22584983894181346,0.3384363648824618,0.4443235556164759,0.3007783051195943
EOS-3-01213,CN(C)C(=O)c1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,AXXZPZVBRHOLCS-UHFFFAOYSA-N,3,1,0.406,63,108,459.47,1.149,5,0.431,0.88,0.995,0.16395380714138852,0.06926358714275924,0.005482831882667398,0.0012422040984168322,0.059985607566308
EOS-3-01214,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)nc1,KHHLJKWWZBDBDE-UHFFFAOYSA-N,3,1,0.404,63,108,423.383,2.331,5,0.474,0.87,1.0,0.44308135151805905,0.2011428277705435,0.27979576451237065,0.3328678637516277,0.3142219518881502
EOS-3-01215,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cncnn5)c4)n23)cc1,XQXIXKLGBLULKU-UHFFFAOYSA-N,3,1,0.362,52,916,448.49,3.126,6,0.425,0.85,1.0,0.16125522582413818,0.03609245425262148,0.20442395997532725,0.25030840929340004,0.16302001233637173
EOS-3-01216,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)o1,KEESRHXFTCADRH-UHFFFAOYSA-N,3,1,0.33,52,582,438.451,3.104,6,0.444,0.9,1.0,0.15310808032348708,0.08686861764101159,0.08375882393256116,0.09153759166609554,0.10381827839078885
EOS-3-01217,Cn1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1=O,HKZMRYBKHIFFIJ-UHFFFAOYSA-N,3,1,0.383,63,9,419.42,1.507,5,0.526,0.85,0.981,0.21383044342402852,0.24620485230621617,0.09089507230484545,0.13480912891508465,0.1714348742375437
EOS-3-01218,CCc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,BWRLVEFZKNDFAJ-UHFFFAOYSA-N,3,1,0.384,63,5,417.448,2.766,5,0.518,0.87,1.0,0.21661469398944555,0.24114179973956548,0.08855630182989514,0.12843533685148378,0.1686870331025975
EOS-3-01219,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cn2)o1,XBQPTEZAJJUFBN-UHFFFAOYSA-N,3,1,0.384,14,740,430.403,2.374,5,0.448,0.84,1.0,0.24694160784044958,0.17497943938044,0.20443252690014393,0.16750908094030567,0.1984656637653348
EOS-3-01220,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1,DVHCJWCCOVXDCV-UHFFFAOYSA-N,3,1,0.561,63,536,420.86,3.311,5,0.481,0.9,1.0,0.6546415598656706,0.35191213761908025,0.32732506339524364,0.39090021245973544,0.43119474333493246
EOS-3-01221,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)nc4Cl)n23)nc1,YCMOXHLIPGPHDU-UHFFFAOYSA-N,3,1,0.298,63,108,441.829,3.732,5,0.474,0.84,0.995,0.20852751696251115,0.3228959632650264,0.46341923103282845,0.5534233431567405,0.3870665136042766
EOS-3-01222,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,RMBQMAWBRVDQQK-UHFFFAOYSA-N,3,1,0.559,63,66,435.875,2.748,5,0.445,0.87,1.0,0.5087982317867178,0.4367846617778082,0.10295730244671372,0.17310328284558973,0.3054108697142074
EOS-3-01223,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C(F)c4cnc(C(F)F)cn4)n23)cc1,WPSQSUCQEZYBKS-UHFFFAOYSA-N,3,1,0.417,66,264,439.401,3.47,5,0.494,0.78,1.0,0.23318312658488108,0.19628538139949284,0.6465372489891029,0.5824566513604277,0.41461560208347614
EOS-3-01224,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc(Cl)n1,AIPHGLOTJLQFNH-UHFFFAOYSA-N,3,1,0.523,63,536,434.887,3.619,5,0.466,0.87,1.0,0.6141971078061819,0.3852803097800014,0.30536803509012406,0.33620896443012815,0.4102636042766089
EOS-3-01225,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(F)c4)n23)cc1F,FDWMEDCPTGMAKS-UHFFFAOYSA-N,3,1,0.439,0,646,423.398,3.692,5,0.532,0.81,1.0,0.3546706874100473,0.5079244054554177,0.7660115824823521,0.8458553217736962,0.6186154992803783
EOS-3-01226,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccn5)cn4)n23)cc1,NAEPRQVURFYGTR-UHFFFAOYSA-N,3,1,0.337,52,582,434.463,3.203,6,0.452,0.87,1.0,0.1504180659310534,0.06157905558220821,0.12506853539853335,0.16751764786512233,0.12614582619422932
EOS-3-01227,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5cncnc5)c4)n23)cc1,LCNDQOUDYUZRBT-UHFFFAOYSA-N,3,1,0.32,82,738,434.463,3.203,6,0.452,0.87,1.0,0.10905695291618121,0.0329740936193544,0.2614111438558015,0.30784387636214106,0.17782151668836954
EOS-3-01228,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(OC(F)F)c(F)c4)n23)cc1,XJIGSYPZPMTSFZ-UHFFFAOYSA-N,3,1,0.516,66,646,427.386,3.482,4,0.51,0.79,1.0,0.8244208758823932,0.8781269275580837,0.9227006373792064,0.847534439037763,0.8681957199643615
EOS-3-01229,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5F)cn4)n23)cn1,UWYYUUWOWHYRLM-UHFFFAOYSA-N,3,1,0.31,82,523,452.453,3.342,6,0.435,0.89,1.0,0.16126379274895483,0.17498800630525665,0.17086731546843945,0.2920893016242889,0.19980210403673496
EOS-3-01230,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,HQWPMCDCFQVFJV-UHFFFAOYSA-N,3,1,0.324,52,582,436.479,3.146,6,0.454,0.85,1.0,0.17184394489753957,0.036101021177438145,0.12261839490096635,0.13952950448906862,0.11752321636625318
EOS-3-01231,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)cn5)n4)n23)cc1,LYWBEQWEWANKBG-UHFFFAOYSA-N,3,1,0.356,29,849,453.441,2.737,6,0.431,0.85,1.0,0.28990473579603865,0.18741004728942498,0.09090363922966212,0.14669145363580288,0.17872746898773217
EOS-3-01232,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5ncc(F)cn5)cn4)n23)cc1,NXYHSBLUBCKJBP-UHFFFAOYSA-N,3,1,0.36,74,453,453.441,2.737,6,0.431,0.85,1.0,0.21383901034884517,0.15483859913645398,0.09091220615447879,0.13281303543280104,0.14810071276814474
EOS-3-01233,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(C)n4)n23)cc1F,DEWMWJZWGCJQFY-UHFFFAOYSA-N,3,1,0.511,90,133,425.399,2.149,4,0.504,0.81,1.0,0.5346275101089712,0.2977948735521897,0.23992529641559865,0.17311184977040642,0.3113648824617915
EOS-3-01234,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)n23)c(F)c1,BPXSQEJMAMECOT-UHFFFAOYSA-N,3,1,0.388,0,188,464.888,3.503,5,0.47,0.87,1.0,0.3261428277705435,0.41860564731683914,0.44569426358714276,0.5068192721540675,0.42431550270714824
EOS-3-01235,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1Cl,YVXKZAIMWXOKOT-UHFFFAOYSA-N,3,1,0.489,90,555,430.255,2.827,4,0.519,0.79,1.0,0.5318089918442875,0.5304554177232541,0.44218182441230897,0.4410766911109588,0.4863807312727023
EOS-3-01236,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)nc4F)n23)nc1,CVLCEOMINUHSGP-UHFFFAOYSA-N,3,1,0.301,63,108,441.373,2.881,5,0.459,0.87,0.998,0.45932424097046126,0.5396648619011719,0.4669830717565623,0.49679597011856624,0.4906920361866904
EOS-3-01237,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4F)n23)c(F)c1,UZBPCSYJROBSMH-UHFFFAOYSA-N,3,1,0.385,61,917,447.409,2.287,5,0.449,0.83,1.0,0.29814611746967307,0.3421115756288123,0.39472106092796927,0.387430607908985,0.35560234048385986
EOS-3-01238,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnn(C)n5)c4)n23)cc1F,HPBYZURUUFYWLN-UHFFFAOYSA-N,3,1,0.34,61,917,429.419,2.148,5,0.465,0.82,1.0,0.25469467479953395,0.20115139469536014,0.2361558494962648,0.20664279350284423,0.22466117812350078
EOS-3-01239,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,AYZDJZWVKVXRPF-UHFFFAOYSA-N,3,1,0.292,63,759,428.456,1.89,5,0.48,0.82,1.0,0.0739582619422932,0.01290178877390172,0.019978068672469332,0.012773284901651702,0.02990285107257899
EOS-3-01240,O=C(Nc1cccc(F)c1F)c1ccc(-c2nnc3cncc(-c4cnccn4)n23)c(F)c1,BBTNBCUDLWRLGK-UHFFFAOYSA-N,3,1,0.517,45,837,447.38,3.918,5,0.449,0.9,1.0,0.16659241998492222,0.3470803920224796,0.8586971420738811,0.8341357686244946,0.5516264306764443
EOS-3-01241,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)CC5)nc4)n23)cn1,BNOISLDBDCSPRD-UHFFFAOYSA-N,3,1,0.353,63,169,464.436,2.218,5,0.49,0.79,0.999,0.04456514289630594,0.05012507710232335,0.012225001713384963,0.047375094236172983,0.03857257898704681
EOS-3-01242,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nc(C)n(C)n5)n4)n23)cc1,AJYDHKDUYYZSIV-UHFFFAOYSA-N,3,1,0.33,74,423,439.483,2.707,5,0.448,0.83,1.0,0.08034062093071072,0.0427403879103557,0.03531286409430471,0.014298197519018573,0.043173017613597424
EOS-3-01243,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(F)cc5)ncn4)n23)cc1,MXCNRHKJYMCKGR-UHFFFAOYSA-N,3,1,0.369,62,139,425.427,3.414,5,0.474,0.88,1.0,0.21133746830237818,0.2821259680625043,0.6076262764717977,0.5403245151120554,0.4103535569871839
EOS-3-01244,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cc4F)n23)cc1,KUWTXWZIFSFQKS-UHFFFAOYSA-N,3,1,0.411,62,319,425.427,3.077,5,0.463,0.85,1.0,0.27883626893290386,0.2258584058666301,0.6282125968062504,0.569734768007676,0.4256605099033651
EOS-3-01245,COc1ccnc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,NWYANTXIMJCTEJ-UHFFFAOYSA-N,3,1,0.568,63,536,430.468,2.709,5,0.458,0.86,1.0,0.5088067987115346,0.17897162634500718,0.13073983962716743,0.09947913097114659,0.22949934891371393
EOS-3-01246,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)nc1,APGSWVAYBYODGV-UHFFFAOYSA-N,3,1,0.522,63,683,418.432,2.839,5,0.496,0.9,1.0,0.4314217668425742,0.13584572681790144,0.2080820368720444,0.2861181550270715,0.2653669213898979
EOS-3-01247,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cn(C)nn5)cc4)n23)cc1,XWTSVRAUHRCDKF-UHFFFAOYSA-N,3,1,0.404,62,740,424.468,2.537,5,0.465,0.87,1.0,0.14452402165718595,0.08357035158659448,0.2908556644506888,0.1814731683914742,0.17510580152148586
EOS-3-01248,O=C(c1ccc(-c2nnc3cncc(-c4ccc(CO)cc4)n23)c(F)c1)N1CCCCC1,DZICYIZKBFVZEH-UHFFFAOYSA-N,3,1,0.392,0,21,431.471,3.716,5,0.533,0.81,1.0,0.14172263724213557,0.1396922760605853,0.030275512302104037,0.19487183880474265,0.12664056610239188
EOS-3-01249,Cc1nc(C(=O)NC2CC2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3C)n12,MPBXASLMXCNDPV-UHFFFAOYSA-N,3,1,0.295,63,66,468.521,2.65,6,0.445,0.87,1.0,0.1639623740662052,0.02271948461380303,0.0054913988074840655,0.005577068055650744,0.04943758138578576
EOS-3-01250,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cncc(F)c5)n4)n23)cc1,LRZDOUDHAIBREF-UHFFFAOYSA-N,3,1,0.424,14,357,439.454,3.338,5,0.451,0.81,1.0,0.24155301213076555,0.22047837708176274,0.4979011034199164,0.41582996367623876,0.34394061407717086
EOS-3-01251,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)c2)cn1,FWHNYXHGTMTOGS-UHFFFAOYSA-N,3,1,0.321,74,859,442.458,2.953,5,0.434,0.84,1.0,0.05053628949352341,0.032982660544171066,0.38749914330751833,0.28330820368720444,0.18858157425810432
EOS-3-01252,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnc(C)n5C)nc4)n23)cc1,GIKSETQPHPHEPR-UHFFFAOYSA-N,3,1,0.378,52,740,439.483,2.241,5,0.446,0.81,1.0,0.12262696182578302,0.061587622507024875,0.058195120279624424,0.028133781097937086,0.06763587142759235
EOS-3-01253,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,AQDAROZRJFANKS-UHFFFAOYSA-N,3,1,0.321,52,423,438.455,1.936,6,0.441,0.85,1.0,0.10168083064903022,0.029967103008703994,0.015823110136385442,0.02276231923788637,0.04255834075800151
EOS-3-01254,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(C(F)F)c4)n23)cc1,NXPXHMJVKAVMON-UHFFFAOYSA-N,3,1,0.588,48,17,427.386,3.807,4,0.506,0.86,1.0,0.9427386745253924,0.7083133438420944,0.9410938249605921,0.8710335138098828,0.8657948392844904
EOS-3-01255,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)nc1,FAIHTZCDAVYBTB-UHFFFAOYSA-N,3,1,0.324,33,997,441.43,2.465,6,0.445,0.85,0.993,0.03181755876910424,0.10936536220958125,0.10036152422726338,0.1976303885957097,0.10979370845041464
EOS-3-01256,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ncc(F)cn5)c4)n23)cc1,KUGBXERXDXMHJO-UHFFFAOYSA-N,3,1,0.356,74,246,441.43,2.465,6,0.445,0.86,1.0,0.06810705229250909,0.09630936878897951,0.10037009115208005,0.14670002056061957,0.10287163319854706
EOS-3-01257,Cc1cc(C(F)F)nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,CBAURFZMLWIZME-UHFFFAOYSA-N,3,1,0.337,63,437,421.411,3.387,5,0.531,0.84,0.999,0.20558906175039407,0.1289407854156672,0.26484648070728534,0.2713744774175862,0.21768770132273318
EOS-3-01258,CC(C)(CF)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,XDEFNLXJCGDSTA-UHFFFAOYSA-N,3,1,0.404,63,334,445.502,3.311,5,0.469,0.88,1.0,0.1805650743609074,0.1059214584332808,0.07253615242272633,0.05678157768487424,0.1039510657254472
EOS-3-01259,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)cc1F,JWPCKPZVENJZLH-UHFFFAOYSA-N,3,1,0.5,90,306,440.385,3.075,5,0.463,0.83,1.0,0.6368994585703516,0.42301761359742307,0.6309797135220341,0.6828781440614077,0.5934437324378041
EOS-3-01260,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,YTWRHVAABHFKAX-UHFFFAOYSA-N,3,1,0.324,52,295,437.467,2.541,6,0.449,0.83,1.0,0.15042663285587005,0.038953807141388526,0.06216160646974162,0.08242238366116099,0.0834911075320403
EOS-3-01261,N#Cc1cccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1F,OZTHMTJRBXKUJZ-UHFFFAOYSA-N,3,1,0.512,0,536,428.427,3.273,5,0.505,0.86,1.0,0.8392759235144952,0.4496950174765266,0.6225155918031663,0.6217017339455829,0.6332970666849428
EOS-3-01262,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5(C)CCC5)cc4F)n23)cn1,UQQXMECPUDYBMT-UHFFFAOYSA-N,3,1,0.387,63,9,433.491,3.41,5,0.503,0.86,1.0,0.16127235967377151,0.1702933315057227,0.03667500514015489,0.08775957782194503,0.11400006853539853
EOS-3-01263,Cn1nncc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)n12,FSBFCYDWWNEIIS-UHFFFAOYSA-N,3,1,0.467,63,306,424.852,2.044,5,0.504,0.86,1.0,0.31868960318004247,0.33700568843807827,0.050741895689123434,0.1079432526900144,0.20359510999931463
EOS-3-01264,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)nc4F)n23)cc1,JGRYWAJJEONMIX-UHFFFAOYSA-N,3,1,0.366,0,999,440.385,3.486,5,0.462,0.87,1.0,0.5886933726269619,0.5925399218696457,0.6658899321499554,0.6709358508669728,0.6295147693783839
EOS-3-01265,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5C)cc4)n23)cc1F,JRHFEVQNKDELFI-UHFFFAOYSA-N,3,1,0.38,0,21,458.497,3.582,5,0.505,0.82,1.0,0.16935953670070591,0.12554828318826675,0.10834589815639778,0.15971317935713797,0.1407417243506271
EOS-3-01266,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(Cl)c4)n23)cc1F,LQNCCURENUWWBZ-UHFFFAOYSA-N,3,1,0.518,90,555,447.257,3.571,4,0.47,0.85,1.0,0.7949849222123226,0.629900280995134,0.807072853128641,0.787394626824755,0.7548381707902132
EOS-3-01267,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cc1F,PKEALUYBLZQWSZ-UHFFFAOYSA-N,3,1,0.337,29,704,426.415,2.809,5,0.47,0.85,1.0,0.26567747241450207,0.23575320402988142,0.29086423137550543,0.26566033856486876,0.2644888115961894
EOS-3-01268,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)nc1,ACJVQURULVFXHH-UHFFFAOYSA-N,3,1,0.435,68,108,456.388,2.466,5,0.47,0.79,1.0,0.3892296621204852,0.31815845384140906,0.43481426906997467,0.3328764306764444,0.3687697039270783
EOS-3-01269,COc1cncc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c1,YCJGAFYIUWDFFW-UHFFFAOYSA-N,3,1,0.406,63,9,432.459,3.011,5,0.483,0.83,1.0,0.45016619834144334,0.38528887670481804,0.2361644164210815,0.2534353368514838,0.33126370707970665
EOS-3-01270,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cc2)cn1,RWCBJWJSTNUZGO-UHFFFAOYSA-N,3,1,0.269,52,523,436.479,3.146,6,0.454,0.85,1.0,0.05054485641834007,0.038962374066205195,0.17087588239325613,0.20665136042766089,0.11675861832636555
EOS-3-01271,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccsc5)n4)n23)cc1,WYUNNOGVFOFGAA-UHFFFAOYSA-N,3,1,0.33,29,849,440.492,3.264,6,0.446,0.85,1.0,0.15580666164073745,0.05783530943732438,0.048762936056473166,0.07716229182372696,0.0848917997395655
EOS-3-01272,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccnc5)n4)n23)c(F)c1,JEZIKGOYSDMQMD-UHFFFAOYSA-N,3,1,0.356,29,849,453.441,2.737,6,0.431,0.85,1.0,0.22782023164964704,0.24621341923103282,0.10835446508121445,0.1702676307312727,0.18816393667329176
EOS-3-01273,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)cc1,QJGRNFBGAFBRPR-UHFFFAOYSA-N,3,1,0.4,66,264,420.423,3.607,5,0.515,0.85,0.994,0.2871804537043383,0.16250599684737166,0.5292560482489206,0.5170139126859022,0.3739891028716332
EOS-3-01274,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1,MTYRVFQLZACDFR-UHFFFAOYSA-N,3,1,0.321,74,295,455.457,2.68,6,0.433,0.82,1.0,0.2028647796586937,0.18741861421424166,0.11955143581659927,0.17312041669522307,0.17073881159618942
EOS-3-01275,Cn1cc(-c2ccc(Cl)c(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)cn1,PZFUCWOLFXEMSR-UHFFFAOYSA-N,3,1,0.446,14,319,443.898,3.535,5,0.447,0.87,1.0,0.18338359262559112,0.2462219861558495,0.6658984990747722,0.6097423069015147,0.4263115961894319
EOS-3-01276,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4c(F)cncc4Cl)n23)cc1F,FRKXKUWXPUKLBM-UHFFFAOYSA-N,3,1,0.404,63,306,454.868,3.795,5,0.479,0.83,1.0,0.3336731546843945,0.37109348228359945,0.4910989651154821,0.6709444177917895,0.4667025049688164
EOS-3-01277,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4F)n23)cc1F,MLSLEHMISZISFS-UHFFFAOYSA-N,3,1,0.418,0,646,439.853,4.206,5,0.505,0.8,1.0,0.3479370845041464,0.4761668151600302,0.7472842848331163,0.8644969501747652,0.6089712836680146
EOS-3-01278,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(F)c5)ncn4)n23)nc1,QOWNTNRBHBKBRY-UHFFFAOYSA-N,3,1,0.34,44,776,426.415,2.809,5,0.47,0.84,0.989,0.1805736412857241,0.18303234870810775,0.38379823178671785,0.34880234391062986,0.27405164142279487
EOS-3-01279,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cc1,FTNPEJFVXFGLHI-UHFFFAOYSA-N,3,1,0.367,74,139,426.415,2.809,5,0.47,0.84,1.0,0.22499314646014668,0.18742718113905832,0.2943938043999726,0.23290898499074772,0.23493077924748135
EOS-3-01280,CN1CCN(Cc2cccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nc5)n34)n2)CC1,SRTSKDRIPAABJL-UHFFFAOYSA-N,3,1,0.261,63,66,469.553,1.888,6,0.457,0.85,1.0,0.009714892742101295,0.0005568501130834076,0.000539716263450072,0.00152491261736687,0.003084092934000411
EOS-3-01281,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1Cl,CWAUHBUDMIZPEN-UHFFFAOYSA-N,3,1,0.671,48,378,451.889,4.098,5,0.457,0.89,1.0,0.6642108148858885,0.4940888218764992,0.5528750599684737,0.6856795284764581,0.5992135563018299
EOS-3-01282,CNC(=O)c1ccc(-c2nnc3cncc(CCCOc4ccc(Cl)c(F)c4)n23)nc1,RVPXBVQVXBDJMU-UHFFFAOYSA-N,3,1,0.406,63,683,440.866,3.35,4,0.443,0.86,1.0,0.4020971831951203,0.4139880748406552,0.4348228359947913,0.43499417449112465,0.4214755671304229
EOS-3-01283,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnco5)cn4)n23)cc1,UQEVCZXHGOWYLI-UHFFFAOYSA-N,3,1,0.382,52,916,437.463,3.324,6,0.434,0.85,1.0,0.16397094099102186,0.06572544719347544,0.177532382975807,0.19763895552052635,0.15121693167020767
EOS-3-01284,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ncccn5)c4)n23)cc1Cl,RCSOHDTZFKGVJW-UHFFFAOYSA-N,3,1,0.392,14,357,456.897,3.247,5,0.432,0.88,1.0,0.24395175107943254,0.2666541018436022,0.3458039202247961,0.3231358371598931,0.294886402576931
EOS-3-01285,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)cn1,POUDSTADZGVIQI-UHFFFAOYSA-N,3,1,0.473,90,66,439.838,2.845,5,0.492,0.78,1.0,0.5549482557741073,0.46728291412514567,0.19052840792269207,0.3078524432869577,0.38015300527722573
EOS-3-01286,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cc4F)n23)nc1,QCNIAFPNASHODM-UHFFFAOYSA-N,3,1,0.37,14,740,440.442,2.733,5,0.447,0.8,0.998,0.24964018915769995,0.20115996162017682,0.4123260914262216,0.3488109108354465,0.3029842882598862
EOS-3-01287,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cc1F,MWLFYWKFAOQFAF-UHFFFAOYSA-N,3,1,0.336,61,917,429.419,2.148,5,0.465,0.82,1.0,0.2415615790555822,0.19170207662257557,0.23278904804331438,0.22388801315879653,0.22248517922006716
EOS-3-01288,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)nn4C)n23)cc1F,VBDOTZICCIVEIM-UHFFFAOYSA-N,3,1,0.341,61,124,428.431,2.753,5,0.472,0.84,1.0,0.17185251182235625,0.22586697279144677,0.17754094990062366,0.1786546501267905,0.1884787711603043
EOS-3-01289,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)c4)n23)cc1F,RLOKMYLYLOAMIT-UHFFFAOYSA-N,3,1,0.646,48,378,434.406,2.922,4,0.5,0.81,1.0,0.8596480707285313,0.4846994722774313,0.8513895552052635,0.7686073607018025,0.7410861147282571
EOS-3-01290,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(Cl)cnc4OC)n23)cc1,YLVHCJUEIBAZSI-UHFFFAOYSA-N,3,1,0.426,66,646,422.876,3.189,4,0.512,0.83,1.0,0.37782708518950037,0.34212014255362894,0.29440237132478925,0.1866904256048249,0.3002600061681859
EOS-3-01291,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4)n23)cc1,BPUXKJIBNPZFDP-UHFFFAOYSA-N,3,1,0.557,89,637,437.463,3.187,5,0.435,0.89,1.0,0.6764700842985402,0.28213453498732094,0.434831402919608,0.2742700980056199,0.4169265300527722
EOS-3-01292,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cc(F)ccc5F)cn4)n23)cc1,RWSZPWRUJJALSI-UHFFFAOYSA-N,3,1,0.4,96,837,443.417,3.553,5,0.456,0.86,1.0,0.28718902062915497,0.32753923651566036,0.7242906586251799,0.6768727297649236,0.5039729113837297
EOS-3-01293,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)nc4)n23)cc1,XTLWIWFVTIAQCH-UHFFFAOYSA-N,3,1,0.352,62,302,433.475,3.808,6,0.453,0.9,1.0,0.20025186758961003,0.061596189431841544,0.21823384277979577,0.2773798917140703,0.18936544787882942
EOS-3-01294,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)c1,AVUBWIWWOQXQSQ-UHFFFAOYSA-N,3,1,0.609,90,133,426.839,2.96,4,0.476,0.84,1.0,0.6731461174696731,0.572184908505243,0.619560002741416,0.5502278802001234,0.6037797272291139
EOS-3-01295,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)cc1,PDBZERJGHJZZEU-UHFFFAOYSA-N,3,1,0.32,52,423,434.463,3.203,6,0.452,0.84,1.0,0.10670104859159756,0.02713145089438695,0.09529847166061271,0.1263878418203002,0.08887970324172434
EOS-3-01296,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(CF)c(F)c4)n23)cn1,AELXOAPNSMTCKC-UHFFFAOYSA-N,3,1,0.374,63,5,421.411,2.673,5,0.514,0.83,1.0,0.21134603522719483,0.24115036666438217,0.1307484065519841,0.20056884380782675,0.19595341306284697
EOS-3-01297,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)nn4)n23)cc1,APAMVSJGTVNNTE-UHFFFAOYSA-N,3,1,0.354,0,546,464.436,2.089,5,0.48,0.8,1.0,0.26023747515591805,0.2560996504694675,0.043811253512439176,0.05970289904735796,0.15496281954629565
EOS-3-01298,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cn4)n23)cc1F,WGIFXGIKIBYUNS-UHFFFAOYSA-N,3,1,0.343,74,413,430.407,1.542,5,0.455,0.8,1.0,0.2387944623397985,0.2154581591391954,0.12507710232335,0.09948769789596326,0.1697043554245768
EOS-3-01299,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(F)cc5)n4)n23)cc1,KSZVATLGLUMWNP-UHFFFAOYSA-N,3,1,0.387,62,139,425.427,3.414,5,0.474,0.87,1.0,0.2758378452470701,0.33214824206702764,0.5258464121718868,0.460078130354328,0.3984776574600781
EOS-3-01300,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)cc1F,GPSCNGUWBHYFHW-UHFFFAOYSA-N,3,1,0.337,74,768,428.431,2.753,5,0.472,0.83,1.0,0.21944177917894592,0.21043794119662806,0.4308820505791241,0.33288499760126106,0.29841169213898977
EOS-3-01301,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)cn5)cn4)n23)cc1F,QURNPEDUDHOQAD-UHFFFAOYSA-N,3,1,0.337,74,768,428.431,2.753,5,0.472,0.83,1.0,0.25235590432458366,0.22587553971626345,0.4492752381605099,0.34238571722294564,0.31747309985607564
EOS-3-01302,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4)n23)c(F)c1,LEZGDQIMZPKHOR-UHFFFAOYSA-N,3,1,0.408,66,364,457.391,3.222,5,0.462,0.82,1.0,0.2899133027208553,0.445248783496676,0.6465458159139196,0.5793297238023439,0.4902594064834487
EOS-3-01303,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4F)n23)cc1,UIDGAEUUKJHFPF-UHFFFAOYSA-N,3,1,0.362,61,269,442.458,3.235,5,0.448,0.85,1.0,0.2415701459803989,0.24623055308066616,0.2944109382496059,0.24455143581659927,0.2566907682818175
EOS-3-01304,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccnn5)c4)n23)cc1,DXMVDBXNRDZVNH-UHFFFAOYSA-N,3,1,0.358,52,916,448.49,3.126,6,0.425,0.86,1.0,0.10906551984099788,0.029975669933520663,0.14903879103556988,0.17866321705160715,0.1166857994654239
EOS-3-01305,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)cc1F,WNELHDXOEVAKIE-UHFFFAOYSA-N,3,1,0.394,14,357,440.442,2.733,5,0.447,0.82,1.0,0.25732472071825097,0.24115893358919882,0.48090432458364746,0.3937872661229525,0.34329381125351244
EOS-3-01306,Cn1cc(-c2cncc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,XYJUMDCTQBFQQP-UHFFFAOYSA-N,3,1,0.352,52,916,450.506,3.07,6,0.427,0.85,1.0,0.0572441916249743,0.022728051538619697,0.21164587759577821,0.20956411486532794,0.12529555890617505
EOS-3-01307,O=C(NC1CC1)c1ccc(F)c(CCc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,IXCHRCWNRHZJJX-UHFFFAOYSA-N,3,1,0.43,0,646,435.89,4.261,5,0.491,0.86,0.999,0.49125316976218214,0.6253255431430333,0.5359296826811047,0.7110376259337948,0.5908865053800287
EOS-3-01308,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4ccc(Br)cc4)n23)nn1,WGXHPYHSBOGEQR-UHFFFAOYSA-N,3,1,0.469,66,476,435.207,3.953,4,0.488,0.84,1.0,0.4986635597285998,0.6495014049756699,0.9468079638133096,0.9116750051401549,0.7516619834144336
EOS-3-01309,COc1cc(F)ccc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,PYZCYMYVRMLYKW-UHFFFAOYSA-N,3,1,0.433,63,683,434.431,2.805,5,0.477,0.83,1.0,0.40857377835652114,0.2512250702487835,0.2721883352751696,0.2503169762182167,0.29557604002467275
EOS-3-01310,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4Cl)n23)cn1,PXFUQYNIYVACGS-UHFFFAOYSA-N,3,1,0.489,90,555,443.294,3.822,4,0.487,0.87,1.0,0.685371119183058,0.5925484887944623,0.5292646151737372,0.55023644712494,0.5893551675690494
EOS-3-01311,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,BBJNMAMBTHCIAT-UHFFFAOYSA-N,3,1,0.314,74,295,438.455,1.936,6,0.441,0.86,1.0,0.11983414433554931,0.027140017819203617,0.03144918100198753,0.052506682201357,0.05773250633952437
EOS-3-01312,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)c(F)c1,GVHWDKDIRSNGJY-UHFFFAOYSA-N,3,1,0.654,23,370,429.814,3.443,4,0.506,0.81,1.0,0.8060962236995408,0.6114128572407649,0.8758224247824001,0.8710420807346995,0.7910933966143513
EOS-3-01313,CCc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(F)cc1F,TXNVWJYPMLHMPH-UHFFFAOYSA-N,3,1,0.366,0,999,437.425,4.33,5,0.505,0.87,0.997,0.3362260982797615,0.41399664176547185,0.7703807141388527,0.8163593996299089,0.5842407134534987
EOS-3-01314,CCCn1nc(C2CCC2)nc1-c1cncc2nnc(-c3ccc(C(=O)NCC)cc3)n12,FNXKPDSORROZAT-UHFFFAOYSA-N,3,1,0.318,63,792,430.516,3.477,5,0.482,0.88,1.0,0.059017545062024536,0.032991227468987736,0.0006425193612500857,0.0005140154890000686,0.023291326845315607
EOS-3-01315,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4F)n23)cc1F,OXYPGZNFANWVIU-UHFFFAOYSA-N,3,1,0.341,61,648,446.421,2.892,5,0.455,0.83,1.0,0.33368172160921117,0.2821431019121376,0.5661023918854088,0.5170224796107189,0.4247374237543692
EOS-3-01316,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1F,SAAQMDQLACLSEB-UHFFFAOYSA-N,3,1,0.533,90,636,452.877,3.493,5,0.461,0.82,1.0,0.7066342265780275,0.46310225481461176,0.34987320951271333,0.4726201082859297,0.49805744979782063
EOS-3-01317,CCCC1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cc2)CC1,NTLLOTCCOKMASZ-UHFFFAOYSA-N,3,1,0.324,0,21,469.549,3.605,5,0.461,0.92,1.0,0.03861969707353848,0.0071362483722842845,0.0027671167157837023,0.009380782674251251,0.01447596120896443
EOS-3-01318,CCc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4Cl)n23)cc(C)n1,ZRRWUOVAMFSJAN-UHFFFAOYSA-N,3,1,0.359,0,999,432.915,4.27,5,0.509,0.9,0.998,0.22204612432321294,0.21044650812144472,0.24341203481598245,0.3263484339661435,0.2505632753066959
EOS-3-01319,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)no4)n23)cc1,CIVILZMZBVPWBR-UHFFFAOYSA-N,3,1,0.403,62,837,431.843,3.521,5,0.463,0.88,1.0,0.27584641217188677,0.4230261805222397,0.34988177643753,0.3651908710849154,0.353486310054143
EOS-3-01320,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(C(F)F)nc4)n23)c(F)c1,UNMFYPFJHAXVAU-UHFFFAOYSA-N,3,1,0.408,63,9,452.44,3.94,5,0.459,0.87,0.866,0.3362346652045782,0.3852974436296347,0.5885220341306284,0.6130662737303817,0.4807801041738058
EOS-3-01321,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)nc1,PBPSEYFXUDVVEI-UHFFFAOYSA-N,3,1,0.317,82,100,426.415,2.809,5,0.47,0.86,0.779,0.2166232609142622,0.2204869440065794,0.5048146117469673,0.4410852580357755,0.34575251867589607
EOS-3-01322,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)c(Cl)c4)n23)nc1,PAYFBVIHXHRLSN-UHFFFAOYSA-N,3,1,0.371,63,505,440.294,3.371,5,0.478,0.81,0.985,0.12263552875059969,0.187435748063875,0.23279761496813103,0.42527928174902335,0.24203704338290727
EOS-3-01323,NC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(F)cc5F)n4)n23)cc1,BREIZTIPPKIECW-UHFFFAOYSA-N,3,1,0.411,96,837,429.39,3.292,5,0.469,0.84,1.0,0.29549893770132274,0.31290692892879174,0.67428551847029,0.6535535604139538,0.48406123637858955
EOS-3-01324,N#Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2)cn1,XMVMOYGGKZOSFN-UHFFFAOYSA-N,3,1,0.311,52,997,448.45,2.198,6,0.432,0.88,1.0,0.02588067987115345,0.061604756356658213,0.13693372626961825,0.17563909259132343,0.10001456377218834
EOS-3-01325,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C(F)(F)c4ccc(F)c(F)c4)n23)nc1,RKFHSILVOGMCCP-UHFFFAOYSA-N,3,1,0.389,66,505,442.376,3.497,5,0.479,0.8,0.977,0.2439603180042492,0.3569066547871976,0.9244482900418066,0.9136710986224384,0.609746590363923
EOS-3-01326,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)c(F)c1,HRGGRLHDWYUHHT-UHFFFAOYSA-N,3,1,0.48,0,901,474.496,2.82,5,0.477,0.89,1.0,0.16128092659858817,0.07660544171064355,0.029196079775203894,0.05533376739085738,0.08060405386882324
EOS-3-01327,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5F)n4)n23)c(F)c1,KIYNSDWTMLOOIM-UHFFFAOYSA-N,3,1,0.379,29,704,444.405,2.948,5,0.454,0.84,1.0,0.3110050716194915,0.327547803440477,0.44928380508532656,0.43779555890617505,0.3814080597628675
EOS-3-01328,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nc5)nc4)n23)cc1,TZBUUHJFLXUSFP-UHFFFAOYSA-N,3,1,0.411,14,319,425.427,3.077,5,0.433,0.9,0.994,0.20559762867521075,0.1585823452813378,0.5885306010554452,0.49997429922555,0.36317121855938594
EOS-3-01329,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,DDLNLOZKFDCJES-UHFFFAOYSA-N,3,1,0.34,52,582,436.479,3.146,6,0.454,0.85,1.0,0.07208210540744295,0.022736618463436366,0.16463916112672194,0.1756476595161401,0.10877638612843533
EOS-3-01330,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1)N1CCOCC1,HNEQYVZQLMDGPU-UHFFFAOYSA-N,3,1,0.705,0,751,465.46,3.456,5,0.434,0.9,1.0,0.31375505448564184,0.17898019326982387,0.23280618189294772,0.37157323007333287,0.2742786649304366
EOS-3-01331,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccn(C)n5)cc4F)n23)cc1,KPGFVCDNQFZQBM-UHFFFAOYSA-N,3,1,0.367,62,124,427.443,3.358,5,0.475,0.85,1.0,0.23601877869919813,0.24116750051401548,0.6195685696662326,0.4968045370433829,0.3983898464807073
EOS-3-01332,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4F)n23)cc1,WRYIJCJJQVRUKW-UHFFFAOYSA-N,3,1,0.443,0,646,421.863,4.067,5,0.527,0.85,1.0,0.37546261394010005,0.4230347474470564,0.6195771365910493,0.7506253855116167,0.5421749708724556
EOS-3-01333,CCc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC(C)(C)C)cc4)n23)ccc1F,YCAZUYXOTPCDHN-UHFFFAOYSA-N,3,1,0.42,63,334,432.503,4.007,4,0.515,0.84,1.0,0.2816719210472209,0.22049551093139608,0.3683692001918991,0.15428174902337058,0.25620459529847167
EOS-3-01334,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(C(F)F)cn3)n12,WBQIDWLZHHBACY-UHFFFAOYSA-N,3,1,0.362,63,334,450.449,3.616,5,0.462,0.85,0.999,0.32615139469536014,0.25123363717360014,0.5192156123637859,0.46637482009457887,0.3907438660818313
EOS-3-01335,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,OCDISXCAHFDPIA-UHFFFAOYSA-N,3,1,0.827,48,378,451.889,4.098,5,0.457,0.9,1.0,0.6282811322047838,0.4140052086902885,0.6105818655335481,0.6856880954012747,0.5846390754574737
EOS-3-01336,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)cc1,NMRINPKDFKCXHM-UHFFFAOYSA-N,3,1,0.635,0,378,451.889,4.098,5,0.457,0.89,1.0,0.8392844904393119,0.5122250017133849,0.5853522719484614,0.6737543691316565,0.6526540333082037
EOS-3-01337,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)n1,UJKWDIFPCTVKJH-UHFFFAOYSA-N,3,1,0.366,61,269,455.457,2.68,6,0.433,0.87,1.0,0.2573332876430676,0.21546672606401207,0.13694229319443493,0.2005774107326434,0.20257992940853953
EOS-3-01338,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c1,IRDGUHBXGDKUBV-UHFFFAOYSA-N,3,1,0.324,61,917,455.457,2.68,6,0.433,0.86,1.0,0.18339215955040777,0.17898876019464052,0.11956000274141594,0.2127424439723117,0.17367084161469398
EOS-3-01339,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4c(Cl)cccc4Cl)n23)cc1,BFEXURUFCHHIDN-UHFFFAOYSA-N,3,1,0.684,48,378,442.306,4.079,4,0.487,0.84,1.0,0.8317969981495442,0.6787917209238572,0.7472928517579329,0.740353642656432,0.7495588033719416
EOS-3-01340,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4Cl)n23)cc1,PLTNCMIABADSTB-UHFFFAOYSA-N,3,1,0.443,0,646,438.318,4.581,5,0.495,0.88,1.0,0.34316530738126244,0.37605373175245016,0.619585703515866,0.7898276334726887,0.5321580940305668
EOS-3-01341,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,XTIGNVCRPFPBGA-UHFFFAOYSA-N,3,1,0.315,52,582,454.469,3.285,6,0.437,0.85,1.0,0.1945120279624426,0.20116852854499348,0.2116544445205949,0.27138304434240285,0.21967951134260844
EOS-3-01342,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)cn1,MGBWODUQANFYGO-UHFFFAOYSA-N,3,1,0.353,82,336,429.419,2.148,5,0.465,0.82,1.0,0.25734185456788433,0.24623912000548284,0.2044410938249606,0.15972174628195462,0.21693595367007057
EOS-3-01343,Cc1nc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,CHLTZZMGTBPBHR-UHFFFAOYSA-N,3,1,0.578,63,536,432.459,3.148,5,0.482,0.83,1.0,0.6670550339250223,0.25610821739428413,0.19401514632307587,0.20367863751627716,0.33021425878966487
EOS-3-01344,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,BSEQAOLDBYZUKN-UHFFFAOYSA-N,3,1,0.264,33,918,440.431,0.726,6,0.413,0.86,1.0,0.04589301624288945,0.0329997943938044,0.0031097937084504147,0.0028356521143170447,0.021209564114865326
EOS-3-01345,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(Cl)c4)n23)cc1,OKLDZZBEKHNOHU-UHFFFAOYSA-N,3,1,0.556,90,555,429.267,3.432,4,0.489,0.83,1.0,0.7836765814543212,0.5396734288259887,0.6849427729422246,0.6302943595367007,0.6596467856898088
EOS-3-01346,CCc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)cc(C(F)(F)F)n1,LARHIAXPDHCJFE-UHFFFAOYSA-N,3,1,0.393,66,455,442.405,2.508,4,0.506,0.75,1.0,0.2709718319512028,0.3470889589472963,0.39100301555753547,0.18669899252964156,0.29894069974641907
EOS-3-01347,CCn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,HFHHUQLQUPTYJI-UHFFFAOYSA-N,3,1,0.36,62,124,424.468,3.096,5,0.465,0.91,1.0,0.09913645397847988,0.08357891851141114,0.0507504626139401,0.04214927009800562,0.06890377630045919
EOS-3-01348,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(Cl)cn3)n12,LBQFCLUPAYSQCM-UHFFFAOYSA-N,3,1,0.371,63,9,418.888,3.631,5,0.535,0.86,1.0,0.19187341511890893,0.2104550750462614,0.22904530189843053,0.3392073881159619,0.24264529504489069
EOS-3-01349,COc1ncc(F)cc1CCOc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,OPTSXEMGEPPGMI-UHFFFAOYSA-N,3,1,0.607,63,536,448.458,2.848,5,0.442,0.85,1.0,0.5187701322733191,0.18744431498869166,0.17443115619217325,0.15178020697690356,0.25810645260777193
EOS-3-01350,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)nc1,QMYQNXYXJMIFLB-UHFFFAOYSA-N,3,1,0.351,63,505,421.411,3.002,5,0.514,0.82,0.365,0.10670961551641422,0.14320471523541908,0.3201031457747927,0.3362175313549448,0.2265587519703927
EOS-3-01351,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccc5)c4)n23)nc1,MUHOKEPUSWCFHV-UHFFFAOYSA-N,3,1,0.313,52,523,433.475,3.808,6,0.453,0.91,0.997,0.11160989651154822,0.038970940991021864,0.19739908162565967,0.28612672195188815,0.15852666027002948
EOS-3-01352,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1,GAEHBJAYPAIGBS-UHFFFAOYSA-N,3,1,0.327,74,997,423.44,2.326,6,0.461,0.9,1.0,0.011059899938318142,0.014178260571585223,0.07897847988486054,0.11511376876156534,0.05483260228908231
EOS-3-01353,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cc4F)n23)cc1,CRZVGKSIBCOAQA-UHFFFAOYSA-N,3,1,0.349,74,333,430.407,1.542,5,0.455,0.8,1.0,0.2166318278390789,0.22050407785621273,0.09797135220341306,0.08414433554931122,0.15481289836200396
EOS-3-01354,COCCc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(C)c4)n23)cn1,YKUXSDLRAGYVJW-UHFFFAOYSA-N,3,1,0.311,63,688,428.496,3.243,5,0.486,0.91,1.0,0.16660098690973887,0.03300836131862107,0.1336183263655678,0.13049996573230074,0.11593191008155712
EOS-3-01355,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)cc4)n23)cc1,AYZBZPYGTFYTQK-UHFFFAOYSA-N,3,1,0.456,62,319,439.454,3.338,5,0.451,0.81,1.0,0.34794565142896305,0.22051264478102942,0.5158145432115687,0.4094647385374546,0.3734343944897539
EOS-3-01356,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(CC(F)(F)F)n4)n23)nc1,HDLJRQYCNYAZMK-UHFFFAOYSA-N,3,1,0.301,63,108,440.389,2.64,5,0.508,0.75,0.99,0.11465115482146529,0.18745288191350834,0.387507710232335,0.3967428551847029,0.2715886505380029
EOS-3-01357,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)cc1,COCQYBDOQHVCRM-UHFFFAOYSA-N,3,1,0.435,66,334,436.466,4.243,4,0.506,0.84,0.997,0.3057706805565074,0.16630971146597218,0.7682304160098691,0.5035210060996504,0.43595795353299976
EOS-3-01358,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccnc(C(F)(F)F)n4)n23)cn1,XBIFYLQWPBJBGJ-UHFFFAOYSA-N,3,1,0.552,68,127,430.35,1.715,4,0.489,0.8,1.0,0.6171698307175656,0.5215800836131862,0.37994311561921734,0.18408608046055788,0.42569477760263175
EOS-3-01359,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncn(C)n5)cc4F)n23)cc1,VWKTWVGSRAZFCD-UHFFFAOYSA-N,3,1,0.42,62,740,442.458,2.676,5,0.449,0.8,1.0,0.23045884449318071,0.2309214584332808,0.394729627852786,0.2833167706120211,0.2848566753478171
EOS-3-01360,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cncnc5)c4)n23)cc1,ZGHXKEXNZRNWDR-UHFFFAOYSA-N,3,1,0.386,62,916,447.502,3.731,6,0.426,0.89,1.0,0.13906689054896854,0.05784387636214105,0.33116304571311084,0.38116818586800083,0.2273104996230553
EOS-3-01361,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(Cl)cnc4OC(F)(F)F)n23)cc1,JFXLFZYBILKIPJ-UHFFFAOYSA-N,3,1,0.435,66,861,434.765,3.504,4,0.526,0.79,0.967,0.6913165650058255,0.7129052155438284,0.9479987663628264,0.897411075320403,0.812407905558221
EOS-3-01362,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1,LPCAYSOAZIDUJY-UHFFFAOYSA-N,3,1,0.37,0,862,455.453,2.743,5,0.431,0.9,1.0,0.2844133369885546,0.2666626687684189,0.36837776711671577,0.36519943800973204,0.3211633027208553
EOS-3-01363,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1,WIGIGHNPIHGOTI-UHFFFAOYSA-N,3,1,0.647,0,378,435.434,3.583,5,0.48,0.83,1.0,0.6609639503803715,0.2821516688369543,0.5917774655609622,0.6303029264615174,0.5412990028099514
EOS-3-01364,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(OC)n1,OUGGVUPTOANWGL-UHFFFAOYSA-N,3,1,0.385,63,9,435.463,2.638,5,0.479,0.85,0.983,0.2304674114179974,0.22052121170584607,0.050759029538756766,0.05384312247275718,0.13889769378383934
EOS-3-01365,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4c(F)cc(Cl)cc4F)n23)cc1,MZZHNJMCRHCGOX-UHFFFAOYSA-N,3,1,0.556,0,536,455.852,4.194,5,0.471,0.87,1.0,0.9098245493797547,0.5971917620450963,0.7542920293331505,0.8181327530669591,0.7698602734562401
EOS-3-01366,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)s4)n23)cc1F,DIFUQYZHVLBEDT-UHFFFAOYSA-N,3,1,0.35,63,306,436.472,2.911,5,0.501,0.76,1.0,0.2278287985744637,0.2462476869302995,0.11089027482694812,0.12844390377630047,0.17835266602700295
EOS-3-01367,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,ZKYPLYYTTHKOHC-UHFFFAOYSA-N,3,1,0.32,52,295,438.455,1.936,6,0.441,0.84,1.0,0.14173120416695223,0.04650983482968953,0.02478411349461997,0.034062093071071206,0.06177181139058324
EOS-3-01368,COCc1cncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4OC)n23)c1,XPYIZVMVRXDJNZ-UHFFFAOYSA-N,3,1,0.316,63,437,430.468,2.901,5,0.481,0.85,1.0,0.13112535124391747,0.010914262216434788,0.23281474881776437,0.17312898362003976,0.1369958364745391
EOS-3-01369,CCCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cn4)n23)c(F)c1,KBWFSVRYELXLCZ-UHFFFAOYSA-N,3,1,0.402,66,9,424.867,3.709,4,0.51,0.83,1.0,0.2709803988760195,0.31816702076622577,0.4161983414433555,0.4317387430607909,0.3592711260365979
EOS-3-01370,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)c(F)c4)n23)cc1F,UDWYSCNBJKDDOF-UHFFFAOYSA-N,3,1,0.446,66,685,447.367,4.039,4,0.48,0.85,1.0,0.49362620793639916,0.644498320882736,0.9912874374614489,0.9749760126105134,0.7760969947227743
EOS-3-01371,CCc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cnc1Cl,QOUFJZJKKUGYTR-UHFFFAOYSA-N,3,1,0.385,63,334,432.915,3.885,5,0.467,0.84,0.998,0.2220546912480296,0.20117709546981016,0.25765026386128437,0.3263570008909602,0.2518097628675211
EOS-3-01372,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1C,HZNVSGLQSBNNGX-UHFFFAOYSA-N,3,1,0.308,74,274,436.479,3.368,5,0.45,0.86,1.0,0.1067181824412309,0.02274518538825303,0.2506682201357001,0.1597303132067713,0.13496547529298883
EOS-3-01373,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cc4F)n23)cc1F,UCVNZDSKTXRJOV-UHFFFAOYSA-N,3,1,0.524,90,555,430.802,3.057,4,0.489,0.8,1.0,0.8367915153176616,0.6208964430128161,0.8115019532588582,0.7609827976149681,0.757543177301076
EOS-3-01374,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cncc(-c5cncnn5)c4)n23)cc1,WMAPRAZHYYSLEX-UHFFFAOYSA-N,3,1,0.339,52,916,449.478,2.521,6,0.419,0.83,1.0,0.09187170173394558,0.017099581934068946,0.1278527859639504,0.15705743266397093,0.09847037557398397
EOS-3-01375,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(F)cn5)cc4)n23)cc1F,KYRUVSUFZPHHBV-UHFFFAOYSA-N,3,1,0.414,14,319,457.444,3.477,5,0.434,0.88,1.0,0.3479542183537797,0.3321568089918443,0.7011171269960935,0.6274415735727503,0.5021674319786169
EOS-3-01376,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)nc1,GSZHYOQIBZDOLY-UHFFFAOYSA-N,3,1,0.439,63,108,419.42,2.234,5,0.489,0.88,0.985,0.41537591666095536,0.16251456377218834,0.08856486875471181,0.1305085326571174,0.19924097046124323
EOS-3-01377,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(Cl)cnc4Cl)n23)nc1,IREYDVRHQPGVPE-UHFFFAOYSA-N,3,1,0.381,63,505,440.294,3.371,5,0.478,0.78,0.998,0.11984271126036598,0.1830409156329244,0.20444966074977727,0.4060037009115208,0.2283342471386471
EOS-3-01378,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4F)n23)c(F)c1,MMFGOBADGXIAGI-UHFFFAOYSA-N,3,1,0.42,0,646,439.853,4.206,5,0.505,0.8,1.0,0.3005362894935234,0.4672914810499623,0.7473014186827497,0.8613785895414982,0.5941269446919334
EOS-3-01379,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(F)cc4F)n23)nc1,FLRKVIOQOGHEEG-UHFFFAOYSA-N,3,1,0.396,63,505,420.423,3.142,5,0.518,0.85,0.999,0.2194503461037626,0.2056061956000274,0.3237183880474265,0.4600866972791447,0.3022154067575903
EOS-3-01380,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5nnn(C)n5)c4)n23)cc1,NPSNRYJXHOTNJZ-UHFFFAOYSA-N,3,1,0.365,61,269,429.419,2.148,5,0.465,0.84,1.0,0.2681019121376191,0.26667123569323553,0.24701014323898293,0.20665992735247757,0.24711080460557877
EOS-3-01381,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnn5)ncn4)n23)cc1,JOCTUJGJRIASRT-UHFFFAOYSA-N,3,1,0.342,52,916,450.466,1.916,6,0.411,0.83,1.0,0.13113391816873415,0.017108148858885616,0.0455332054005894,0.06279555890617504,0.06414270783359606
EOS-3-01382,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5ccccc5)ncn4)n23)cn1,ORVKIYDIMKXFMQ-UHFFFAOYSA-N,3,1,0.323,52,204,434.463,3.203,6,0.452,0.86,0.959,0.1311424850935508,0.04274895483517237,0.08857343567952848,0.1491415941333699,0.10290161743540538
EOS-3-01383,CCOc1cc(Cl)ccc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,JOTYBDPBOZUZGH-UHFFFAOYSA-N,3,1,0.376,63,505,448.914,3.721,5,0.463,0.87,0.996,0.3384534987320951,0.32755637036529367,0.22190905352614626,0.2861352888767048,0.29351355287506
EOS-3-01384,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cc1,NCMRVTQFERURHZ-UHFFFAOYSA-N,3,1,0.323,74,997,441.43,2.465,6,0.417,0.88,1.0,0.04019601123980536,0.12894935234048385,0.15500137070797065,0.22111232951819615,0.13631476595161401
EOS-3-01385,Cn1cc(-c2nncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,YOXKWBLRBNIDOA-UHFFFAOYSA-N,3,1,0.32,74,295,438.455,1.936,6,0.441,0.82,1.0,0.06811561921732574,0.014186827496401891,0.034070659995887875,0.04597868549105613,0.04058794805016791
EOS-3-01386,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(C)n(C)n5)cc4)n23)cc1,FLKCOYJOJHXFDI-UHFFFAOYSA-N,3,1,0.404,62,319,437.507,3.451,5,0.455,0.84,1.0,0.1718610787471729,0.09631793571379618,0.37242135563018297,0.21828524432869578,0.21472140360496195
EOS-3-01387,Cn1nnc(-c2ccc(F)c(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,NHERMIUIJSCLCK-UHFFFAOYSA-N,3,1,0.421,61,740,429.419,1.811,5,0.451,0.83,1.0,0.21135460215201152,0.25124220409841685,0.24701871016379962,0.21275101089712836,0.23059163182783907
EOS-3-01388,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)o4)n23)cc1F,SXLLCUVWHIDOBW-UHFFFAOYSA-N,3,1,0.37,96,574,433.378,3.146,5,0.463,0.83,1.0,0.33624323212939483,0.33216537591666095,0.49790967034473305,0.49358337331231583,0.41497541292577617
EOS-3-01389,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5F)cn4)n23)nc1,SOSPJELOJMPNFR-UHFFFAOYSA-N,3,1,0.314,52,776,452.453,3.342,6,0.435,0.86,1.0,0.177532382975807,0.20118566239462682,0.19402371324789253,0.3109879377698581,0.2209324240970461
EOS-3-01390,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cn1,FILNLJIFTAAFHF-UHFFFAOYSA-N,3,1,0.347,82,204,434.463,3.203,6,0.452,0.85,0.999,0.12822973065588375,0.05380885477349051,0.09092077307929546,0.13953807141388527,0.10312435748063875
EOS-3-01391,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)c4)n23)cn1,RUCNXBXCLCRUBW-UHFFFAOYSA-N,3,1,0.398,82,290,440.442,2.733,5,0.447,0.84,1.0,0.19188198204372559,0.2512507710232335,0.4530275512302104,0.38417517647865124,0.3200838701939552
EOS-3-01392,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)c(C)n5)ccn4)n23)cc1,CXKRDBKQOUQZCW-UHFFFAOYSA-N,3,1,0.35,74,139,440.442,3.117,5,0.457,0.86,1.0,0.289921869645672,0.17499657323007334,0.33844493180727847,0.2329175519155644,0.25907023164964704
EOS-3-01393,CC1COCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cn1,LXQGPWALYWOMHR-UHFFFAOYSA-N,3,1,0.367,0,829,443.467,1.813,5,0.509,0.72,1.0,0.057252758549790964,0.002373038174216983,0.02479268041943664,0.021957028305119593,0.026593876362141042
EOS-3-01394,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)cc1,CAGZZCZPNIOMRV-UHFFFAOYSA-N,3,1,0.346,62,269,424.468,3.096,5,0.465,0.88,1.0,0.1311510520183675,0.04275752175998904,0.17754951682544035,0.1196799396888493,0.11778450757316153
EOS-3-01395,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(F)c1,JEGDPLZGUBYWPC-UHFFFAOYSA-N,3,1,0.302,52,523,455.457,2.68,6,0.433,0.86,1.0,0.16397950791583854,0.24117606743883216,0.11956856966623261,0.18409464738537454,0.17720469810156947
EOS-3-01396,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc1F,VVZGRGBRHAHWTG-UHFFFAOYSA-N,3,1,0.473,68,12,455.4,3.129,5,0.456,0.83,1.0,0.4687050236447125,0.4186142142416558,0.48792920293331504,0.4784713179357138,0.4634299396888493
EOS-3-01397,Cn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,GKNWLPJLWIZIBR-UHFFFAOYSA-N,3,1,0.324,74,453,437.467,2.541,6,0.449,0.85,1.0,0.11985127818518265,0.02501542046467,0.07471215132615996,0.0877681447467617,0.07683674868069358
EOS-3-01398,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cc(F)c(-c5ccoc5)cn4)n23)cc1,PTFSIWXOMAZLST-UHFFFAOYSA-N,3,1,0.33,52,517,440.438,4.145,6,0.441,0.93,1.0,0.1365482146528682,0.1255568501130834,0.43869508601192514,0.530429716948804,0.30780746693167016
EOS-3-01399,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(CN5CCCCC5)s4)n23)cc1F,XFOZHSXBVUZPQQ-UHFFFAOYSA-N,3,1,0.364,63,334,465.558,3.323,5,0.47,0.86,1.0,0.04903707765060654,0.08006647933657735,0.0016705503392502228,0.0077873346583510385,0.034640360496196294
EOS-3-01400,CNC(=O)c1ccc(-c2nnc3cncc(Cc4c(F)c(F)cc(F)c4Cl)n23)cn1,KHJGJXZDVJTYMU-UHFFFAOYSA-N,3,1,0.416,90,225,432.793,3.207,4,0.5,0.81,0.994,0.3312315811116442,0.484708039202248,0.8367401137687616,0.8280618189294771,0.6201853882530327
EOS-3-01401,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5F)nc4)n23)cc1,CFOGGAABECOCBI-UHFFFAOYSA-N,3,1,0.557,1,709,440.438,3.67,5,0.432,0.9,1.0,0.8847405935165513,0.37110204920841616,0.7137876087999452,0.6303114933863341,0.6499854362278117
EOS-3-01402,Cn1cc(-c2ncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cn2)nn1,DAFXSZHPZLCTEG-UHFFFAOYSA-N,3,1,0.303,74,413,456.445,2.075,6,0.426,0.87,0.986,0.12264409567541636,0.17030189843053936,0.06013124528819135,0.09949626482077993,0.11314337605373176
EOS-3-01403,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5cncnc5)c4)n23)nc1,PLVUUZURTVOJTM-UHFFFAOYSA-N,3,1,0.269,82,100,435.451,2.598,6,0.447,0.86,0.894,0.06812418614214241,0.027148584744020286,0.11957713659104928,0.167526214789939,0.09559403056678775
EOS-3-01404,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)nn4)n23)cc1F,ZYKUCVPDMQVNIO-UHFFFAOYSA-N,3,1,0.354,61,124,426.415,2.809,5,0.47,0.83,1.0,0.2085360838873278,0.2357617709546981,0.3311716126379275,0.32013741347405933,0.2739017202385032
EOS-3-01405,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccc(F)cc4)n23)cc1F,XULAAWAKGZCIAK-UHFFFAOYSA-N,3,1,0.356,96,837,443.417,3.553,5,0.456,0.86,1.0,0.3082636556781578,0.3421287094784456,0.6340295387567678,0.6333870193955178,0.47945223082722227
EOS-3-01406,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(F)cn5)cn4)n23)cc1,OQEJLBPRSPPYBI-UHFFFAOYSA-N,3,1,0.452,74,845,427.403,2.204,5,0.463,0.83,1.0,0.22206325817284628,0.2056147625248441,0.2762918922623535,0.20368720444109384,0.2269142793502844
EOS-3-01407,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5nccs5)c4)n23)cc1,XKOBWVHDBXIYSY-UHFFFAOYSA-N,3,1,0.327,74,246,428.481,2.993,6,0.462,0.87,1.0,0.04166952230827222,0.0465184017545062,0.054571311082173946,0.07907271605784387,0.05545798780069906
EOS-3-01408,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1,SQESGQUSMRVDCQ-UHFFFAOYSA-N,3,1,0.567,63,536,418.432,2.839,5,0.496,0.91,1.0,0.667063600849839,0.3275649372901103,0.21824240970461242,0.2656689054896854,0.36963496333356183
EOS-3-01409,CNC(=O)c1ccc(-c2nnc3cncc(-c4nsc(-c5ccc(F)cc5)n4)n23)cc1F,JUFXKERQTOAEGD-UHFFFAOYSA-N,3,1,0.35,96,648,449.446,3.615,5,0.45,0.88,1.0,0.19189054896854224,0.3321739428414776,0.4457028305119594,0.47262867521074636,0.3605989993831814
EOS-3-01410,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnc(F)cn5)c4)n23)cc1,OCHUOMGFUOISSJ-UHFFFAOYSA-N,3,1,0.4,62,3,425.427,3.414,5,0.474,0.87,1.0,0.2547032417243506,0.18304948255774106,0.5948444246453293,0.49681310396819955,0.38235256322390515
EOS-3-01411,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)NC5CCC5)nc4)n23)cc1,OGGJYUQLTPKJEB-UHFFFAOYSA-N,3,1,0.378,63,334,467.533,2.952,6,0.432,0.91,1.0,0.2656860393393188,0.06161332328147488,0.014529504489068604,0.035167226372421354,0.09424902337057091
EOS-3-01412,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(C)n1,QEFTVLRNQFTUSZ-UHFFFAOYSA-N,3,1,0.39,63,9,419.464,2.938,5,0.519,0.89,1.0,0.07813035432801042,0.15859091220615448,0.06410629840312522,0.0895500651086286,0.09759440751147969
EOS-3-01413,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)c(F)c5)no4)n23)cc1,REIYVUWJQKBHHB-UHFFFAOYSA-N,3,1,0.415,62,837,449.833,3.66,5,0.445,0.89,1.0,0.3362517990542115,0.44080254951682546,0.5393221849085053,0.5369063121102049,0.4633207113974368
EOS-3-01414,Cc1nccc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1F,RWCNJYNVOLVQIX-UHFFFAOYSA-N,3,1,0.589,63,536,432.459,3.148,5,0.482,0.82,1.0,0.4837485436227812,0.187461448838325,0.257658830786101,0.25344390377630044,0.2955781817558769
EOS-3-01415,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC5C)nc4)n23)cc1F,NYHHTEDUCVUFDZ-UHFFFAOYSA-N,3,1,0.33,0,688,431.431,2.196,5,0.497,0.77,1.0,0.2871975875539716,0.24118463436364881,0.12508566924816666,0.10795181961483107,0.19035492769515452
EOS-3-01416,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccn(C)n5)cn4)n23)cc1,AJNDQMZJHVZUNB-UHFFFAOYSA-N,3,1,0.386,14,357,424.468,2.537,5,0.465,0.82,1.0,0.06426050304982524,0.05381742169830717,0.2542577616338839,0.13717360016448496,0.12737732163662532
EOS-3-01417,CNC(=O)c1ccc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)nc1,CCQRSWJKPOASNK-UHFFFAOYSA-N,3,1,0.42,90,244,430.255,2.827,4,0.519,0.78,1.0,0.5394249880063052,0.4046158590912206,0.4421903913371256,0.44763895552052635,0.45846754848879445
EOS-3-01418,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)no5)nc4)n23)cc1F,GKLIVKDXSULUCT-UHFFFAOYSA-N,3,1,0.343,74,768,430.403,2.71,5,0.462,0.81,1.0,0.3336902885340278,0.2613426084572682,0.24342060174079913,0.18148173531629086,0.2549838085120965
EOS-3-01419,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)nc4OC)n23)nc1,VAYJDLVKIZSLQO-UHFFFAOYSA-N,3,1,0.318,63,457,441.398,2.608,4,0.465,0.8,0.968,0.41086114728257145,0.32757350421492704,0.3724299225549997,0.192438832156809,0.32582585155232674
EOS-3-01420,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(Cl)cc4OC(F)(F)F)n23)cc1,FMKZWTMWSDABIX-UHFFFAOYSA-N,3,1,0.44,66,861,434.765,3.504,4,0.526,0.79,0.998,0.8883301350147351,0.9031509149475704,0.9468165307381262,0.9013004591871702,0.9098995099719005
EOS-3-01421,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cc4)n23)cc1,ZSXYZHRZEOIUPY-UHFFFAOYSA-N,3,1,0.4,62,740,422.452,2.594,5,0.463,0.84,1.0,0.22500171338496333,0.05013364402714002,0.37243848947981634,0.2685473922280858,0.22903030978000138
EOS-3-01422,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)cc1,KTYBPBGSUIALEO-UHFFFAOYSA-N,3,1,0.478,0,646,426.307,4.439,4,0.512,0.87,1.0,0.3823932561167843,0.4186227811664725,0.7660201494071688,0.7757179082996367,0.5856885237475156
EOS-3-01423,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)nc1,YCCLHDHEQLGLIN-UHFFFAOYSA-N,3,1,0.457,63,108,419.42,2.234,5,0.489,0.89,1.0,0.382401823041601,0.11852340483859913,0.12786135288876704,0.16753478171475567,0.19908034062093072
EOS-3-01424,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)cn1,LHZFOYAWHJWVTD-UHFFFAOYSA-N,3,1,0.357,82,514,443.858,2.718,5,0.449,0.82,1.0,0.26811047906243574,0.25611678431910084,0.1678174902337057,0.1570659995887876,0.2122776883010075
EOS-3-01425,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5cnccn5)cc4F)n23)cc1,ARHGHBBMXLXZKH-UHFFFAOYSA-N,3,1,0.412,85,357,440.442,2.733,5,0.447,0.81,1.0,0.24695017476526626,0.20562332944966075,0.3838067987115345,0.2983003221163731,0.2836701562607087
EOS-3-01426,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccc1F,TXHODXQFDBEARX-UHFFFAOYSA-N,3,1,0.44,63,683,418.432,3.105,5,0.517,0.92,1.0,0.47895963265026387,0.19629394832430952,0.31644506887807555,0.33921595504077856,0.3327286512233569
EOS-3-01427,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cn1,JFEJOSQFWUBVOV-UHFFFAOYSA-N,3,1,0.345,61,917,430.407,1.542,5,0.455,0.82,1.0,0.22783736549928038,0.27696011239805357,0.10296586937153039,0.09343944897539579,0.17530069906106505
EOS-3-01428,N#Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cnc1Cl,LQQSCVJMRCGASX-UHFFFAOYSA-N,3,1,0.506,63,536,445.87,3.183,5,0.453,0.86,1.0,0.6670721677746556,0.4541669522308272,0.43870365293674185,0.47549859502433006,0.5088603419916387
EOS-3-01429,COCc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1,JJCYIKPOFNFOLH-UHFFFAOYSA-N,3,1,0.318,63,306,419.42,2.426,5,0.511,0.89,1.0,0.13115961894318415,0.18747001576314165,0.14285347131793572,0.18410321431019122,0.16139658008361318
EOS-3-01430,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)c5)no4)n23)cc1,QBCQVPSBJINPJI-UHFFFAOYSA-N,3,1,0.4,62,837,431.843,3.521,5,0.463,0.88,1.0,0.2028733465835104,0.292808923308889,0.33118017956274415,0.3488194777602632,0.29392048180385166
EOS-3-01431,Cc1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4C)n23)cn1,ASXAZFJBEIXLFS-UHFFFAOYSA-N,3,1,0.617,63,66,415.457,2.669,5,0.516,0.94,1.0,0.30054485641834006,0.07301590021245974,0.039399287231855255,0.0329740936193544,0.11148353437050236
EOS-3-01432,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)cc1F,VKENRZCYVOFYAO-UHFFFAOYSA-N,3,1,0.366,96,274,430.378,2.687,5,0.465,0.8,1.0,0.22207182509766293,0.2258841066410801,0.585360838873278,0.5469467479953396,0.39506587965184015
EOS-3-01433,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cc1,FQGRRALYPWQUCO-UHFFFAOYSA-N,3,1,0.363,74,295,424.428,1.721,6,0.452,0.88,1.0,0.01861592762661915,0.011788088547734905,0.0314577479268042,0.05005654170379001,0.027979576451237064
EOS-3-01434,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cnn(C)n5)c4)n23)cc1,WIIVEBITUNREEQ-UHFFFAOYSA-N,3,1,0.366,61,124,428.431,2.753,5,0.472,0.81,1.0,0.26569460626413544,0.1789973271194572,0.4634277979576451,0.3652080049345487,0.3183319340689466
EOS-3-01435,Cc1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)ccc1Cl,PFUWASPREGOECE-UHFFFAOYSA-N,3,1,0.411,29,704,442.87,3.371,5,0.452,0.85,1.0,0.23319169350969776,0.28216023576177096,0.39473819477760264,0.38743917483380164,0.32438232472071826
EOS-3-01436,O=C(NC1CCC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cn1,HHWMUSSOLQHIDY-UHFFFAOYSA-N,3,1,0.302,92,450,439.443,1.506,6,0.431,0.82,1.0,0.018624494551435816,0.027157151668836955,0.00785587005688438,0.015471866218902062,0.0172773456240148
EOS-3-01437,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)cc5)n4)n23)cc1,DRACUOBBXGGEIT-UHFFFAOYSA-N,3,1,0.387,29,704,442.87,3.323,5,0.454,0.83,1.0,0.28442190391337124,0.3711106161332328,0.34581248714961277,0.3455383455554794,0.33672083818792403
EOS-3-01438,CCCCc1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,OAKWSIKDGJJRFA-UHFFFAOYSA-N,3,1,0.467,63,108,443.511,3.395,5,0.422,0.89,1.0,0.27098896580083615,0.06162189020629155,0.025820711397436778,0.02814234802275375,0.09664347885682956
EOS-3-01439,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)n1,VGTRJMWUZOWOMN-UHFFFAOYSA-N,3,1,0.282,82,523,437.467,2.541,6,0.449,0.82,1.0,0.04310876567747241,0.018641628401069154,0.052575217599890346,0.06438043999725858,0.04467651291892262
EOS-3-01440,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC(F)(F)C5)nc4)n23)cn1,VHFULMGVISYPRB-UHFFFAOYSA-N,3,1,0.358,63,169,464.436,2.218,5,0.49,0.77,0.998,0.06609382496059214,0.10265746007813036,0.012756151052018367,0.0459872524158728,0.05687367212665341
EOS-3-01441,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)cc1Cl,GRZZQGHZUVAIJN-UHFFFAOYSA-N,3,1,0.33,74,768,443.858,2.718,5,0.449,0.81,1.0,0.24964875608251663,0.23577033787951476,0.3683863340415324,0.35841443355493113,0.30305496538962373
EOS-3-01442,CCn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC)c(C)c5)n34)nc2)n1,PCFMNPZWPQFKLD-UHFFFAOYSA-N,3,1,0.302,74,333,440.471,2.195,5,0.44,0.82,1.0,0.09427900760742924,0.05382598862312384,0.02920464670002056,0.01337296963881845,0.04767065314234803
EOS-3-01443,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)nc4)n23)cc1F,KPWILQVMMNLYAX-UHFFFAOYSA-N,3,1,0.336,74,413,430.407,1.542,5,0.455,0.81,1.0,0.2547118086491673,0.2011942293194435,0.11958570351586595,0.09738880131587965,0.16822013570008912
EOS-3-01444,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5F)nn4)n23)cc1,SSKXLJULYUBLDA-UHFFFAOYSA-N,3,1,0.323,74,997,441.43,2.465,6,0.417,0.87,1.0,0.04020457816462203,0.14685422520731958,0.11959427044068262,0.18149030224110754,0.12203584401343295
EOS-3-01445,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ncnc(-c4cccnc4)n3)n12,QWCLJZGIPJZKRY-UHFFFAOYSA-N,3,1,0.311,29,849,449.478,2.906,6,0.434,0.84,1.0,0.1718696456719896,0.05014221095195669,0.050767596463573435,0.0677301076005757,0.08512739017202385
EOS-3-01446,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5nncnn5)c4)n23)nc1,JUYDXPHJLBVJLF-UHFFFAOYSA-N,3,1,0.286,52,523,436.439,1.992,6,0.438,0.84,1.0,0.0760314577479268,0.050150777876773356,0.040872798300322116,0.07717085874854362,0.061056473168391474
EOS-3-01447,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cn4)n23)cc1,RUERXLAPSYGDBI-UHFFFAOYSA-N,3,1,0.343,74,295,436.439,1.992,6,0.438,0.84,1.0,0.11161846343636488,0.02716571859365362,0.05258378452470701,0.0807432663970941,0.0680278082379549
EOS-3-01448,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)c(F)c4)n23)cc1,UMXFYUSDOGLLAK-UHFFFAOYSA-N,3,1,0.373,62,341,452.453,3.342,6,0.435,0.86,1.0,0.21664039476389554,0.18305804948255774,0.3762507710232335,0.4538842437118772,0.307458364745391
EOS-3-01449,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nn[nH]n5)cc4)n23)cc1,YILXHWFXSPBUAS-UHFFFAOYSA-N,3,1,0.37,52,916,437.467,2.454,6,0.418,0.92,1.0,0.23320026043451442,0.10593002535809745,0.11363169076828182,0.14670858748543622,0.14986764101158248
EOS-3-01450,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ncc(F)cn5)cn4)n23)cc1F,GCXYQTXLNRKASD-UHFFFAOYSA-N,3,1,0.345,73,736,445.393,2.343,5,0.447,0.8,1.0,0.292680419436639,0.2411932012884655,0.30170139126859025,0.27427866493043657,0.2774634192310328
EOS-3-01451,CCc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(Cl)cn3)n12,FVGKCQSAAMMWLO-UHFFFAOYSA-N,3,1,0.333,63,5,434.891,2.675,5,0.496,0.75,0.953,0.21945891302857926,0.21547529298882873,0.01223356863820163,0.02991570145980399,0.1192708690288534
EOS-3-01452,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)nc4)n23)cc1,UFUFAWIGPQUPAM-UHFFFAOYSA-N,3,1,0.33,52,582,434.463,3.203,6,0.452,0.85,1.0,0.16936810362552257,0.05015934480159002,0.15215715166883695,0.1896460146665753,0.1403326536906312
EOS-3-01453,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1F,YOMYYSPXWDPEFL-UHFFFAOYSA-N,3,1,0.583,90,636,426.839,2.96,4,0.476,0.81,1.0,0.778236584195737,0.5443424028510726,0.6076348433966143,0.5469553149201563,0.6192922863408951
EOS-3-01454,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,KMUIRIOGQUYYPQ-UHFFFAOYSA-N,3,1,0.358,62,997,422.452,2.931,6,0.467,0.91,1.0,0.03564697416215475,0.038979507915838534,0.10565588376396409,0.16754334863957235,0.08695642862038244
EOS-3-01455,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(F)c5)nn4C)n23)cc1,DBFRVKFUOKATJI-UHFFFAOYSA-N,3,1,0.406,61,316,446.421,2.892,5,0.455,0.81,1.0,0.2056061956000274,0.3181755876910424,0.3910115824823521,0.3715817969981495,0.32159379069289284
EOS-3-01456,Cc1nc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)ncc1F,GLXTZXSRPHRZRN-UHFFFAOYSA-N,3,1,0.4,74,453,427.403,2.252,5,0.461,0.82,1.0,0.26297032417243504,0.17031046535535604,0.15825680213830443,0.11742683846206566,0.1772411075320403
EOS-3-01457,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccnc5)n4)n23)nc1,DCQRANGZQGYHEN-UHFFFAOYSA-N,3,1,0.29,33,432,436.439,1.992,6,0.438,0.83,0.992,0.1417397710917689,0.06573401411829209,0.01657699952025221,0.026146254540470152,0.06254925981769584
EOS-3-01458,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnc5)nn4)n23)cc1,HKGKCYVHBPAOCH-UHFFFAOYSA-N,3,1,0.327,74,453,436.439,1.992,6,0.438,0.83,1.0,0.09914502090329655,0.033016928243437736,0.03940785415667192,0.06593105338907546,0.059375214173120416
EOS-3-01459,CCOc1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,UDGHCCVPBPRIIH-UHFFFAOYSA-N,3,1,0.457,63,536,449.446,2.59,5,0.436,0.86,1.0,0.4040504420533205,0.24625625385511618,0.12509423617298335,0.11512233568638201,0.2226308169419505
EOS-3-01460,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)c(F)c1,IDFKQOPTNBAMMQ-UHFFFAOYSA-N,3,1,0.463,68,12,455.4,3.129,5,0.456,0.83,1.0,0.5088153656363512,0.4631108217394284,0.4879377698581317,0.472637242135563,0.4831252998423686
EOS-3-01461,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nncn5C)ccc4F)n23)cc1,KJKLLENJHFTMIF-UHFFFAOYSA-N,3,1,0.381,61,124,428.431,2.753,5,0.472,0.85,1.0,0.2602460420807347,0.2769686793228703,0.4238400383798232,0.34882804468507983,0.327470701117127
EOS-3-01462,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1F,NNIGMRQNHYHYMP-UHFFFAOYSA-N,3,1,0.494,90,555,456.84,3.589,5,0.446,0.88,1.0,0.6486190117195532,0.467300047974779,0.6253683777671167,0.7080820368720444,0.6123423685833733
EOS-3-01463,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cc4F)n23)cc1F,CPSDCYZUXNGBCZ-UHFFFAOYSA-N,3,1,0.341,61,413,447.409,2.287,5,0.449,0.79,1.0,0.35021588650538005,0.26667980261805224,0.3947467617024193,0.3683863340415324,0.34500719621684595
EOS-3-01464,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5F)nn4)n23)cc1,WNRMCVSMQFTFCS-UHFFFAOYSA-N,3,1,0.385,62,124,426.415,2.809,5,0.47,0.83,1.0,0.20288191350832704,0.287394626824755,0.35361695565759715,0.3328935645260777,0.29419676512918924
EOS-3-01465,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnn(C)c5)cc4F)n23)cn1,URBGPJZRWLHBOA-UHFFFAOYSA-N,3,1,0.345,82,974,429.419,2.148,5,0.465,0.82,1.0,0.13655678157768486,0.20120279624426016,0.23617298334589815,0.167551915564389,0.18537111918305804
EOS-3-01466,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(Cl)cnc4F)n23)nc1,SQUBUJLWEGDBEC-UHFFFAOYSA-N,3,1,0.381,63,505,423.839,2.857,5,0.496,0.8,0.998,0.15043519978068673,0.23577890480433145,0.2080906037968611,0.3550818998012473,0.23734665204578165
EOS-3-01467,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)nc1,VFRWNJFXTQDBEO-UHFFFAOYSA-N,3,1,0.506,63,683,452.877,3.493,5,0.461,0.81,1.0,0.48375711054759785,0.30275512302104035,0.35730073332876433,0.48750085669248167,0.4078284558974711
EOS-3-01468,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)c(F)c1,RPKOKEFEFLPORT-UHFFFAOYSA-N,3,1,0.362,0,175,467.411,2.443,5,0.494,0.77,1.0,0.3235556164759098,0.40462442601603726,0.2944195051744226,0.32636556781577686,0.3372412788705366
EOS-3-01469,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)c2)n1,NUIMGXVQZFNGMT-UHFFFAOYSA-N,3,1,0.324,61,269,455.457,2.68,6,0.433,0.85,1.0,0.21136316907682817,0.19171064354739223,0.12262696182578302,0.19764752244534303,0.1808370742238366
EOS-3-01470,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccc(F)c5)n4)n23)cc1,SLWGDFJEILTNNF-UHFFFAOYSA-N,3,1,0.392,62,837,425.427,3.414,5,0.474,0.88,1.0,0.21664896168871223,0.21046364197107806,0.559343088205058,0.5138270166541018,0.3750706771297375
EOS-3-01471,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncn5C)cn4)n23)cc1F,HIHMWBKTZNZHED-UHFFFAOYSA-N,3,1,0.36,74,768,428.431,2.753,5,0.472,0.8,1.0,0.2332088273593311,0.22052977863066273,0.4704612432321294,0.36521657185936535,0.32235410527037217
EOS-3-01472,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4OC)n23)cc1F,XCQLNDSKYBWWRL-UHFFFAOYSA-N,3,1,0.346,61,917,459.445,2.156,5,0.424,0.89,1.0,0.39145706257281887,0.3663816736344322,0.25426632855870057,0.1731375505448564,0.29631065382770205
EOS-3-01473,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ncc(Cl)nn5)c4)n23)cc1,OMOFZVAPVYEMSU-UHFFFAOYSA-N,3,1,0.386,74,333,443.858,2.718,5,0.449,0.8,1.0,0.2002604345144267,0.17500514015489,0.22191762045096292,0.20058597765746009,0.19944229319443493
EOS-3-01474,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)nn4)n23)cc1,FKXWCJPJKAFKHT-UHFFFAOYSA-N,3,1,0.411,62,574,425.427,3.414,5,0.474,0.87,1.0,0.17754094990062366,0.24626482077993284,0.5562846960455075,0.5138355835789186,0.3734815125762456
EOS-3-01475,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(OC)nc4OC(F)(F)F)n23)cc1,DKLAPVXCEAWOFQ-UHFFFAOYSA-N,3,1,0.347,66,437,445.361,2.515,4,0.498,0.79,1.0,0.544796449866356,0.3999040504420533,0.7112432321293949,0.4222123226646563,0.5195390137756151
EOS-3-01476,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4)n23)cc1,ZPTUGLKXCYQRJS-UHFFFAOYSA-N,3,1,0.517,66,12,453.384,3.037,4,0.446,0.84,1.0,0.7693869508601192,0.5828335960523611,0.9270526351860736,0.7635014735110685,0.7606936639024056
EOS-3-01477,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cc(C)n(C)n5)n4)n23)cc1,MSOHXPKFBHWONT-UHFFFAOYSA-N,3,1,0.361,74,423,424.468,2.922,5,0.476,0.86,1.0,0.08247378521006099,0.07302446713727641,0.177558083750257,0.08955863203344527,0.10565374203275991
EOS-3-01478,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)cc1F,HVAPWZHKXARJLC-UHFFFAOYSA-N,3,1,0.412,66,455,446.368,2.475,4,0.469,0.74,1.0,0.2872061544787883,0.39991261736687,0.5494739908162566,0.3811767527928175,0.40444237886368306
EOS-3-01479,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cn4)n23)cc1F,XNTIMLSGUXTBDF-UHFFFAOYSA-N,3,1,0.343,50,918,431.395,0.937,5,0.44,0.8,1.0,0.18612500856692482,0.19171921047220888,0.043819820437255845,0.03836268932903845,0.115006682201357
EOS-3-01480,NCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)cn1,SOZMJFLSVRISBN-UHFFFAOYSA-N,3,1,0.39,66,542,429.366,1.351,4,0.485,0.81,0.998,0.18907203070385856,0.2205383455554794,0.4055839215955041,0.2503255431430334,0.26637996024946886
EOS-3-01481,Cn1nnc(-c2cccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,SVIJQKKADGMZLE-UHFFFAOYSA-N,3,1,0.377,52,916,451.494,2.465,6,0.422,0.85,1.0,0.20026900143924337,0.06574258104310876,0.05457987800699061,0.07529470221369337,0.09897154067575903
EOS-3-01482,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)cc1F,MLCUFDAZOHLNTG-UHFFFAOYSA-N,3,1,0.424,66,455,432.341,2.085,4,0.492,0.74,1.0,0.30055342334315677,0.38530601055445135,0.6225241587279831,0.44109382496059213,0.4373693543965458
EOS-3-01483,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nn1,AQRXVNPDJZDNKK-UHFFFAOYSA-N,3,1,0.318,74,295,456.445,2.075,6,0.426,0.84,0.991,0.18613357549174148,0.16631827839078883,0.04382838736207251,0.08580631896374477,0.1205216400520869
EOS-3-01484,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)n(C)n5)cn4)n23)cc1F,AGWGTWRMNUKPDG-UHFFFAOYSA-N,3,1,0.343,74,768,443.446,2.456,5,0.454,0.82,1.0,0.22501028030978001,0.21047220889589474,0.14286203824275237,0.0954612432321294,0.16845144267013912
EOS-3-01485,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)s4)n23)nc1,KTAPRCGXQYESEH-UHFFFAOYSA-N,3,1,0.351,63,505,445.43,3.145,5,0.507,0.78,1.0,0.11162703036118155,0.17501370707970668,0.27219690219998627,0.24742992255499965,0.20156689054896854
EOS-3-01486,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(CNC)c4)n23)cc1F,RMTKDSMXTASZCY-UHFFFAOYSA-N,3,1,0.327,0,682,422.439,3.206,4,0.499,0.87,1.0,0.3409122061544788,0.26135117538208485,0.7242992255499966,0.627450140497567,0.4885031868960318
EOS-3-01487,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cn5)c4)n23)cc1,OLYBCLMAJSUGSC-UHFFFAOYSA-N,3,1,0.362,74,246,440.442,3.07,6,0.451,0.82,1.0,0.04590158316770612,0.13970084298540197,0.24702727708861627,0.3141405661023919,0.18669256733602907
EOS-3-01488,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)o1,BXOSVQWXZIRATQ-UHFFFAOYSA-N,3,1,0.282,52,523,439.439,2.499,6,0.438,0.86,0.999,0.0845469810156946,0.02502398738948667,0.019052840792269207,0.023524775546569805,0.03803714618600507
EOS-3-01489,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5F)cn4)n23)cc1,UJLRIYGJWRAXMJ-UHFFFAOYSA-N,3,1,0.319,74,582,440.442,3.07,6,0.422,0.87,1.0,0.13907545747378522,0.17900589404427386,0.2576673977109177,0.3109965046946748,0.2216863134809129
EOS-3-01490,CCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1CC,XYTFDLITTWNDCH-UHFFFAOYSA-N,3,1,0.333,63,878,428.5,2.584,5,0.482,0.78,0.95,0.045910150092522785,0.0227537523130697,0.003923651566033856,0.003358234528133781,0.01898644712494003
EOS-3-01491,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(Cl)cn5C)cn4)n23)cc1,XPCBUEGMRKMRKE-UHFFFAOYSA-N,3,1,0.383,74,139,444.886,3.267,5,0.456,0.81,1.0,0.24157871290521554,0.2357874717291481,0.3311887464875608,0.2713916112672195,0.269986635597286
EOS-3-01492,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(CF)nc4)n23)c(F)n1,QYYKQWNUZYAAJJ-UHFFFAOYSA-N,3,1,0.346,63,364,422.399,2.068,5,0.474,0.84,1.0,0.23047597834281405,0.2104807758207114,0.03268281817558769,0.06280412583099171,0.1341109245425262
EOS-3-01493,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)cc1,IYWXZAJRLWXRLV-UHFFFAOYSA-N,3,1,0.429,66,568,430.806,2.215,4,0.499,0.73,1.0,0.24396888492906585,0.28740319374957163,0.38751627715715165,0.3584230004797478,0.31932783907888423
EOS-3-01494,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(C)no5)cc4)n23)cc1F,GTPYTVGRBPTLTB-UHFFFAOYSA-N,3,1,0.341,62,648,428.427,3.92,5,0.466,0.91,1.0,0.33626036597902814,0.36639024055924885,0.6309882804468508,0.5266088684805702,0.46506193886642444
EOS-3-01495,O=C(c1ccc(-c2cncc3nnc(-c4ccc(F)c(CO)c4)n23)nn1)N1CCOCC1,XYUODJWCJWWSBR-UHFFFAOYSA-N,3,1,0.421,63,546,435.419,1.352,5,0.51,0.79,1.0,0.14174833801658557,0.06575114796792543,0.008284216297717771,0.04738366116098965,0.06579184086080461
EOS-3-01496,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc5c(cc4Cl)OCC5)n23)nc1,PLCZDNYMCVFXPM-UHFFFAOYSA-N,3,1,0.381,90,683,436.859,2.713,5,0.513,0.74,0.997,0.4837656774724145,0.29780344047700635,0.372447056404633,0.30786101021177437,0.36546929614145707
EOS-3-01497,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnn(C)n5)cc4)n23)cc1,FEUVMWQTQJENFY-UHFFFAOYSA-N,3,1,0.413,61,740,425.456,1.932,5,0.457,0.84,1.0,0.22784593242409704,0.09928209170036324,0.13075697347680076,0.07530326913851004,0.1332970666849428
EOS-3-01498,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(OC)C5)cn4)n23)cc1,CGEPWQGKMSQFND-UHFFFAOYSA-N,3,1,0.324,0,175,457.494,2.074,5,0.488,0.83,1.0,0.11163559728599821,0.007813035432801041,0.02087759577821945,0.024390034953053252,0.04117906586251799
EOS-3-01499,CNC(=O)c1ccc(-c2nnc3cncc(-c4noc(-c5cccc(Cl)c5)n4)n23)cc1,ZYZPGJRLPGAUOK-UHFFFAOYSA-N,3,1,0.392,62,837,431.843,3.521,5,0.463,0.87,1.0,0.19189911589335892,0.30276368994585706,0.3273336303200603,0.34554691248029606,0.2918858371598931
EOS-3-01500,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,ALNRABZRUMJDLN-UHFFFAOYSA-N,3,1,0.324,52,582,438.451,3.104,6,0.444,0.89,1.0,0.13369542868891782,0.0657597148927421,0.06411486532794188,0.07531183606332671,0.08472046124323213
EOS-3-01501,Cn1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)cn2)cn1,VFFYVGYQPVLOQR-UHFFFAOYSA-N,3,1,0.374,85,357,428.431,2.416,5,0.459,0.83,0.999,0.09674628195462956,0.17901446096909054,0.4492923720101432,0.3488366116098965,0.2684724316359399
EOS-3-01502,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cc5)no4)n23)cc1,JHUGSVDXHWOXQU-UHFFFAOYSA-N,3,1,0.379,62,302,441.426,3.54,6,0.444,0.89,1.0,0.28993043657048867,0.3421372764032623,0.19740764855047632,0.3012559111781235,0.2826828181755877
EOS-3-01503,Cc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)N(C)C)c(F)c4)n23)cc1Cl,XYALHCUWGJDFEL-UHFFFAOYSA-N,3,1,0.396,66,9,424.867,3.58,4,0.5,0.85,1.0,0.26025460900555136,0.33218250976629426,0.504823178671784,0.43174730998560756,0.3822519018573093
EOS-3-01504,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)nc1,SJCRGRJFIXNZNL-UHFFFAOYSA-N,3,1,0.404,63,108,454.853,2.282,5,0.451,0.8,1.0,0.49126173668699885,0.27697724624768694,0.06412343225275854,0.13718216708930162,0.2423861455691865
EOS-3-01505,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,ROTCTRAWGWRHRF-UHFFFAOYSA-N,3,1,0.792,90,948,426.839,2.96,4,0.509,0.79,1.0,0.8341786032485778,0.6351089712836681,0.5661109588102254,0.5170310465355356,0.6381073949695018
EOS-3-01506,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nn4)n23)cc1,AGDGYIFENDAGDD-UHFFFAOYSA-N,3,1,0.416,0,546,415.413,2.182,5,0.537,0.9,1.0,0.028339387293537112,0.0003255431430333767,0.0012850387225001713,0.002013227331916935,0.0079907991227469
EOS-3-01507,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cc1,SNRWNKAMRCNJNT-UHFFFAOYSA-N,3,1,0.356,74,582,452.453,3.342,6,0.435,0.87,1.0,0.2681190459872524,0.16632684531560551,0.21166301144541155,0.26567747241450207,0.22794659379069288
EOS-3-01508,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cn1,BGIRJKRYHHEXFC-UHFFFAOYSA-N,3,1,0.478,68,127,438.398,2.385,5,0.467,0.8,1.0,0.40405900897813724,0.3027722568706737,0.15500993763278734,0.15178877390172024,0.25340749434582965
EOS-3-01509,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(F)c(Cl)c3)n12,GYEGAJSGUVHCLY-UHFFFAOYSA-N,3,1,0.412,0,646,435.89,4.375,5,0.505,0.82,1.0,0.2981546843944898,0.3663988074840655,0.6195942704406826,0.7241193201288465,0.5020667706120211
EOS-3-01510,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)nn1,MUMFVCIOQRWKCO-UHFFFAOYSA-N,3,1,0.33,62,269,436.479,3.146,6,0.454,0.87,1.0,0.08688575149064492,0.036109588102254814,0.1678260571585224,0.2036957713659105,0.12362929202933316
EOS-3-01511,COc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ncc(Cl)cn3)n12,XFACJBFLPKILCD-UHFFFAOYSA-N,3,1,0.319,63,66,422.836,2.197,5,0.519,0.82,1.0,0.40210575011993693,0.3181841546158591,0.012764717976835035,0.022770886162703036,0.18895637721883352
EOS-3-01512,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccn5)cn4)n23)cc1,NDXFQGPUMXVYTF-UHFFFAOYSA-N,3,1,0.321,52,582,422.452,2.931,6,0.467,0.88,1.0,0.045918717017339454,0.03611815502707148,0.1251028030978,0.15973888013158796,0.09171963881844972
EOS-3-01513,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)cc1,VUYUYTTYKPERKR-UHFFFAOYSA-N,3,1,0.321,52,246,422.452,2.931,6,0.467,0.88,1.0,0.018633061476252485,0.02503255431430334,0.12786991981358373,0.164998971969022,0.08413362689329038
EOS-3-01514,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)cn5)cn4)n23)cc1,OYRPFWRTGKTYHG-UHFFFAOYSA-N,3,1,0.36,74,453,453.441,2.737,6,0.431,0.84,1.0,0.16128949352340483,0.15859947913097114,0.1336268932903845,0.17565622644095674,0.15729302309642929
EOS-3-01515,Cc1nc(-c2ccccc2)nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,BVVUAFIBODOEEQ-UHFFFAOYSA-N,3,1,0.352,62,302,448.49,3.511,6,0.438,0.87,1.0,0.23321739428414776,0.04652696867932287,0.05259235144952368,0.07908128298266054,0.1028544993489137
EOS-3-01516,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)n4)n23)cc1,GBLCJAZJSNIWBH-UHFFFAOYSA-N,3,1,0.356,52,331,440.442,3.07,6,0.451,0.84,1.0,0.08455554794051127,0.18747858268795833,0.20094578849976014,0.3047169488040573,0.19442421698307177
EOS-3-01517,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5nnco5)c4)n23)cc1,PFOFUMBAQFRBLE-UHFFFAOYSA-N,3,1,0.358,52,916,438.451,2.719,6,0.429,0.84,0.999,0.1472483037488863,0.02276231923788637,0.08376739085737783,0.10377116030429717,0.08938729353711193
EOS-3-01518,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncccn5)cc4F)n23)cn1,HVWAITDLAVWVKL-UHFFFAOYSA-N,3,1,0.424,13,374,442.414,2.934,5,0.441,0.86,1.0,0.7156209307107121,0.577547803440477,0.3384534987320951,0.24456000274141595,0.469045558906175
EOS-3-01519,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cc1F,TZDPRWIXKIYLRO-UHFFFAOYSA-N,3,1,0.343,74,997,442.418,1.86,6,0.437,0.81,1.0,0.02834795421835378,0.13585429374271812,0.07036015351929271,0.1328216023576177,0.09184600095949558
EOS-3-01520,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ncc(F)c(C)n4)n23)cc1,DQSPUNWNLVPQPK-UHFFFAOYSA-N,3,1,0.337,74,139,440.442,3.117,5,0.457,0.8,1.0,0.2681276129120691,0.23093002535809745,0.25767596463573433,0.18965458159139195,0.2365970461243232
EOS-3-01521,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncn5C)cc4)n23)cc1F,RIGOZHKDGQFLFY-UHFFFAOYSA-N,3,1,0.361,62,648,427.443,3.358,5,0.475,0.84,1.0,0.2844304708381879,0.22054691248029606,0.6404804331437187,0.5439997258584058,0.4223643855801521
EOS-3-01522,COc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cn1,DMTIPPCBRGJCBB-UHFFFAOYSA-N,3,1,0.464,0,229,416.441,2.334,5,0.504,0.94,1.0,0.047332259612089644,0.0008995271057501199,0.01063155369748475,0.018324652182852442,0.01929699814954424
EOS-3-01523,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)n1,BSVSICJVIMYDGH-UHFFFAOYSA-N,3,1,0.33,52,246,436.479,3.24,6,0.454,0.83,1.0,0.015060653827702008,0.02717428551847029,0.12787848673840038,0.14179973956548558,0.07797829141251457
EOS-3-01524,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cn4)n23)cn1,JXXFIJPSPGWATG-UHFFFAOYSA-N,3,1,0.326,63,175,414.429,1.454,5,0.537,0.93,0.999,0.11737543691316565,0.05016791172640669,0.0019446919333835925,0.0014221095195668563,0.0427275375231307
EOS-3-01525,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cc1,GUKUGMQAEMEFMV-UHFFFAOYSA-N,3,1,0.591,90,636,424.411,2.836,4,0.49,0.81,1.0,0.6142056747309985,0.27180282365841957,0.5048317455966006,0.3841837434034679,0.44375599684737166
EOS-3-01526,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(F)c5)c4C)n23)cc1,STNGGAARFQWQJA-UHFFFAOYSA-N,3,1,0.39,62,139,439.454,3.722,5,0.458,0.86,1.0,0.20027756836406005,0.2769858131725036,0.4598382564594613,0.39993831814131997,0.33425998903433624
EOS-3-01527,Cc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,SKHZIDLHNFAFLQ-UHFFFAOYSA-N,3,1,0.454,63,66,450.89,2.452,5,0.456,0.81,1.0,0.44766465629497637,0.34214584332807896,0.01583167706120211,0.03187752724282092,0.20937992598176958
EOS-3-01528,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)o1,KAAZOXRKCMSIRN-UHFFFAOYSA-N,3,1,0.474,63,683,425.395,3.176,5,0.489,0.87,0.999,0.39362449455143583,0.07303303406209308,0.3536255225824138,0.4317558769104242,0.3130097320265917
EOS-3-01529,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(Cl)nn5)n4)n23)cc1,NYZZGWXCBZFUDP-UHFFFAOYSA-N,3,1,0.39,74,423,443.858,2.718,5,0.449,0.8,1.0,0.1746024946885066,0.21048934274552805,0.16464772805153863,0.15707456651360427,0.17670353299979438
EOS-3-01530,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)o1,DVAUSNRZPLQFCA-UHFFFAOYSA-N,3,1,0.351,62,302,437.463,3.709,6,0.446,0.89,1.0,0.1890805976286752,0.07661400863546021,0.14904735796038654,0.17027619765608937,0.14625454047015285
EOS-3-01531,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccncn5)n4)n23)cc1,SQTUTLQRUAFJSI-UHFFFAOYSA-N,3,1,0.324,74,295,435.451,2.598,6,0.447,0.84,1.0,0.17187821259680625,0.033025495168254405,0.06816702076622576,0.08956719895826194,0.09065948187238708
EOS-3-01532,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(Cl)nc5)nc4)n23)cc1,HKXKRDUGOVFSOX-UHFFFAOYSA-N,3,1,0.387,82,333,442.87,3.323,5,0.425,0.86,1.0,0.2657031731889521,0.2561253512439175,0.43483996984442463,0.38118531971763414,0.3344634534987321
EOS-3-01533,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnc(C)nn5)c4)n23)c(C)c1,NYKAEEMVMHDWHB-UHFFFAOYSA-N,3,1,0.286,62,124,436.479,3.287,5,0.46,0.83,1.0,0.15044376670550338,0.029984236858337333,0.27630045918717017,0.1814988691659242,0.15955683297923376
EOS-3-01534,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnco5)c4)n23)cc1,SWBHVYCKWAWBSJ-UHFFFAOYSA-N,3,1,0.447,62,319,428.427,3.536,5,0.46,0.86,1.0,0.4108697142073881,0.332191076691111,0.6714412994311562,0.5599684737166747,0.49361764101158245
EOS-3-01535,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1,SZDGBTXDIQTEMX-UHFFFAOYSA-N,3,1,0.388,0,862,462.46,3.189,5,0.439,0.87,1.0,0.3502244534301967,0.28741176067438834,0.30894044273867455,0.31712185593859227,0.31592462819546296
EOS-3-01536,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(Cl)c5)no4)n23)cc1,WFRVPNNURXGPRQ-UHFFFAOYSA-N,3,1,0.415,62,837,449.833,3.66,5,0.445,0.89,1.0,0.3336988554588445,0.4091306284696046,0.5359382496059215,0.5369148790350216,0.45392065314234803
EOS-3-01537,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)c(F)c1,RWSJBUSAXPJZPH-UHFFFAOYSA-N,3,1,0.36,61,269,442.458,3.235,5,0.448,0.85,1.0,0.23048454526763074,0.20121136316907684,0.3053766020149407,0.24743848947981634,0.24612774998286613
EOS-3-01538,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(C#N)nc5)cnn4)n23)cc1,CSXZKIHBQDLJJS-UHFFFAOYSA-N,3,1,0.337,74,124,433.435,2.542,5,0.457,0.82,1.0,0.15311664724830376,0.07662257556027688,0.46699163868137894,0.35509046672606404,0.2629553320540059
EOS-3-01539,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1,FZSIHGBMBADRMZ-UHFFFAOYSA-N,3,1,0.309,52,517,434.463,3.203,6,0.452,0.83,1.0,0.10168939757384689,0.0692721540675759,0.15216571859365363,0.20059454458227674,0.13093045370433828
EOS-3-01540,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(Cl)c4)n23)cn1,WCEZLFBGSIIRAR-UHFFFAOYSA-N,3,1,0.478,63,555,439.838,2.845,5,0.46,0.85,1.0,0.55000514015489,0.4408111164416421,0.24342916866561579,0.3392245219655952,0.3933674868069358
EOS-3-01541,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cc1F,YQLYJIRJBQHSLB-UHFFFAOYSA-N,3,1,0.333,74,413,429.419,2.148,5,0.465,0.81,1.0,0.26297889109725175,0.2012199300938935,0.22905386882324721,0.17867178397642383,0.21798111849770407
EOS-3-01542,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)nc4)n23)cc1,FOPADIBHYDDKMC-UHFFFAOYSA-N,3,1,0.349,52,916,449.478,2.521,6,0.419,0.84,1.0,0.11164416421081488,0.02052635186073607,0.10297443629634706,0.12639640874511684,0.0903853402782537
EOS-3-01543,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncc(F)c5)c4)n23)cc1,WYUGPJPVHMRGII-UHFFFAOYSA-N,3,1,0.349,74,246,440.442,3.07,6,0.451,0.82,1.0,0.059026111986841205,0.12556541703790008,0.29442807209923927,0.36522513878418206,0.21106118497704066
EOS-3-01544,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nncc(F)n5)cc4)n23)cc1,ITFZCIXEQBVUMZ-UHFFFAOYSA-N,3,1,0.43,62,740,440.442,2.733,5,0.447,0.79,1.0,0.3384620656569118,0.21049790967034473,0.38752484408196836,0.2983088890411898,0.30869842711260365
EOS-3-01545,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cc4)n23)cc1,UKFLEPPAMGNVOF-UHFFFAOYSA-N,3,1,0.378,62,916,447.502,3.731,6,0.426,0.88,1.0,0.2002861352888767,0.07304160098690973,0.2836594476046878,0.32957816462202727,0.2216413371256254
EOS-3-01546,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(OC)C5)cc4)n23)c(F)c1,GSAUTFXCTMRBKH-UHFFFAOYSA-N,3,1,0.383,0,901,460.469,2.428,5,0.491,0.84,1.0,0.45703687204441096,0.4367932287026249,0.20445822767459393,0.20370433829072715,0.32549816667808923
EOS-3-01547,CNC(=O)c1cc(C)cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,AJXSAACPENBVTE-UHFFFAOYSA-N,3,1,0.489,68,127,425.399,2.766,4,0.506,0.81,1.0,0.5037951476937839,0.40913919539442123,0.42730107600575695,0.25033411006785006,0.397642382290453
EOS-3-01548,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,VEHQRHBPJTYHAO-UHFFFAOYSA-N,3,1,0.326,74,139,433.435,2.564,5,0.418,0.88,1.0,0.13908402439860187,0.07663114248509355,0.4387122198615585,0.3455554794051127,0.24999571653759167
EOS-3-01549,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4F)n23)nc1,ZHASYMDJHRZJBN-UHFFFAOYSA-N,3,1,0.404,63,505,422.851,3.462,5,0.532,0.79,0.986,0.19727057775340964,0.2718113905832362,0.3910201494071688,0.5760143238982934,0.359029110410527
EOS-3-01550,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)cc1,PIUFYYZTHRZAEK-UHFFFAOYSA-N,3,1,0.578,63,536,436.422,2.978,5,0.448,0.85,1.0,0.7368497704064149,0.287420327599205,0.3419830717565623,0.37817832910698373,0.43610787471729145
EOS-3-01551,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1,LGNNGVMZODKRHN-UHFFFAOYSA-N,3,1,0.541,90,555,426.839,3.308,4,0.475,0.84,1.0,0.7723168391474197,0.48938558015214856,0.6105904324583648,0.5035295730244671,0.5939556061956
EOS-3-01552,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,DEYMARZUXGKPGS-UHFFFAOYSA-N,3,1,0.442,63,536,451.874,2.715,5,0.456,0.86,1.0,0.44308991844287576,0.31819272154067574,0.10298300322116373,0.11274073058734836,0.2442515934480159
EOS-3-01553,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1C,QHKYRALOQUXKBN-UHFFFAOYSA-N,3,1,0.314,52,295,451.494,2.849,6,0.437,0.86,1.0,0.08248235213487766,0.022770886162703036,0.040881365225138785,0.05534233431567404,0.05036923445959838
EOS-3-01554,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)ccc5F)n4)n23)cc1,PTFGJVXDEZDDTM-UHFFFAOYSA-N,3,1,0.35,61,331,432.394,2.677,5,0.468,0.83,1.0,0.11738400383798232,0.25125933794805017,0.4879463367829484,0.4631964909875951,0.329946542389144
EOS-3-01555,O=C(c1ccc(-c2cncc3nnc(-c4ccc(CO)nc4)n23)cc1)N1CC(C(F)(F)F)C1,XFXHNHBMHVRUIM-UHFFFAOYSA-N,3,1,0.361,0,688,454.412,2.98,5,0.509,0.82,1.0,0.2523644712494003,0.27181995750805293,0.6742940853951066,0.6913251319306422,0.4724509115208005
EOS-3-01556,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,YFZZTFCBSLDFRL-UHFFFAOYSA-N,3,1,0.275,33,432,437.467,2.541,6,0.449,0.84,1.0,0.0942875745322459,0.033034062093071075,0.04554177232540607,0.058195120279624424,0.05776463230758687
EOS-3-01557,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cc(-c5cccc(C#N)c5)ncn4)n23)cc1,UZQVSXZTQTVYEL-UHFFFAOYSA-N,3,1,0.389,62,637,448.446,3.272,5,0.433,0.86,1.0,0.8113477486121582,0.404632992940854,0.5790555822082105,0.42222088958947296,0.554314303337674
EOS-3-01558,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(CC(F)(F)F)cn4)n23)cn1,WTMZVHBVKNFRAB-UHFFFAOYSA-N,3,1,0.417,68,127,429.362,2.838,4,0.52,0.79,1.0,0.7368583373312316,0.6163988074840655,0.742418271537249,0.5068278390788843,0.6506258138578576
EOS-3-01559,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(C#N)cc5C)cc4)n23)cn1,LEVLNNSFFJFJPG-UHFFFAOYSA-N,3,1,0.326,62,204,446.474,3.455,5,0.449,0.86,1.0,0.20029470221369336,0.11529367418271537,0.45984682338427796,0.3652337057089987,0.28516722637242137
EOS-3-01560,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)cn1,IWHGRXMIFFYEEA-UHFFFAOYSA-N,3,1,0.333,74,295,437.467,2.541,6,0.449,0.83,1.0,0.06813275306695908,0.03304262901788774,0.09797991912822973,0.10796038653964773,0.07677892193818107
EOS-3-01561,Cc1ccccc1-c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nn1,CEFKZWLIZHLHPI-UHFFFAOYSA-N,3,1,0.284,52,523,449.478,2.906,6,0.434,0.86,1.0,0.09915358782811322,0.04653553560413954,0.03941642108148859,0.07130251524912617,0.06410201494071688
EOS-3-01562,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnc(F)cn5)n4)n23)cc1,YBRJHEUNIOJMNP-UHFFFAOYSA-N,3,1,0.4,74,423,426.415,2.809,5,0.47,0.81,1.0,0.20030326913851004,0.1790230278939072,0.3610016448495648,0.2802583784524707,0.25514658008361324
EOS-3-01563,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)cc1F,WGIGNCXAWVJWNK-UHFFFAOYSA-N,3,1,0.341,74,768,428.431,2.753,5,0.472,0.81,1.0,0.18340072647522446,0.19630251524912617,0.4979182372695497,0.38419231032828455,0.3154534473305462
EOS-3-01564,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COc4ccc(Cl)nn4)n23)cc1,SVWBIRBYPXIXCL-UHFFFAOYSA-N,3,1,0.424,63,536,421.848,2.706,5,0.51,0.8,1.0,0.4740165170310465,0.34709752587211296,0.12263552875059969,0.1731461174696731,0.2792239222808581
EOS-3-01565,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cn4)n23)cc1,BZGZQOPGUIZPKZ-UHFFFAOYSA-N,3,1,0.392,14,357,442.87,2.986,5,0.443,0.81,1.0,0.19452059488725926,0.15484716606127064,0.379951682544034,0.35843156740456444,0.27193775272428206
EOS-3-01566,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cnc(F)nc5)nn4)n23)cc1,TVHMKFOEOWGHJW-UHFFFAOYSA-N,3,1,0.327,74,997,442.418,1.86,6,0.409,0.88,1.0,0.03862826399835515,0.1185319717634158,0.08120588033719416,0.11743540538688232,0.08895038037146186
EOS-3-01567,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)nc1,NAXOHKWGNYESDM-UHFFFAOYSA-N,3,1,0.311,33,432,453.441,2.737,6,0.431,0.87,1.0,0.21665752861352888,0.19172777739702557,0.09306250428346241,0.13954663833870193,0.1602486121581797
EOS-3-01568,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(F)cn5)cn4)n23)cc1,FYZQULFTWAZTCS-UHFFFAOYSA-N,3,1,0.405,74,845,453.441,2.737,6,0.431,0.85,1.0,0.2056147625248441,0.187487149612775,0.1490559248852032,0.1976560893701597,0.18495348159824548
EOS-3-01569,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,MVRUAJVREXSJSS-UHFFFAOYSA-N,3,1,0.33,52,423,437.467,2.541,6,0.449,0.82,0.999,0.11465972174628196,0.027182852443286956,0.05260091837434035,0.06593962031389212,0.06509577821945034
EOS-3-01570,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnnc(Cl)c3)n12,WUBHUFOOPQBDMY-UHFFFAOYSA-N,3,1,0.346,63,334,419.876,3.026,5,0.534,0.81,1.0,0.1558152285655541,0.17903159481872388,0.14906449181001988,0.23292611884038106,0.17920935850866973
EOS-3-01571,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)c(F)c4)n23)cc1Cl,JUQCZFCDHQZGTR-UHFFFAOYSA-N,3,1,0.343,61,917,463.864,2.801,5,0.435,0.85,1.0,0.33626893290384485,0.39992118429168666,0.37625933794805017,0.4317644438352409,0.38605347474470564
EOS-3-01572,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Cl)nc4F)n23)cc1F,HTICUJCLIAOPNI-UHFFFAOYSA-N,3,1,0.341,0,188,426.814,3.677,5,0.503,0.81,1.0,0.34092077307929547,0.41863134809128916,0.5981769583990131,0.7455109313960661,0.525810002741416
EOS-3-01573,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ncc(F)cn5)c4)n23)cc1,KNVLZZOUUXFLDA-UHFFFAOYSA-N,3,1,0.414,14,357,440.442,2.733,5,0.447,0.78,1.0,0.287214721403605,0.19173634432184222,0.32734219724487695,0.24171578370228222,0.2620022616681516
EOS-3-01574,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)cn4)n23)cc1,VJIXBEOIOKXOIJ-UHFFFAOYSA-N,3,1,0.333,74,582,434.463,3.203,6,0.452,0.86,1.0,0.1337039956137345,0.05383455554794051,0.16152936741827154,0.20666849427729422,0.1389341032143102
EOS-3-01575,O=C(NC1CCOCC1)c1ccc(Cc2cncc3nnc(-c4ccncc4)n23)cc1,LTWIQSIQTMOGBJ-UHFFFAOYSA-N,3,1,0.413,63,334,414.469,2.686,5,0.54,0.93,1.0,0.03863683092317182,0.0004197793160167226,0.0767767802069769,0.12640497566993353,0.060559591529024744
EOS-3-01576,CNC(=O)c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccncc4)n23)cc1F,YRROXPGCMVWUSR-UHFFFAOYSA-N,3,1,0.311,39,961,426.415,2.809,5,0.47,0.84,0.989,0.21666609553834557,0.15088067987115344,0.3458210540744294,0.32314440408470974,0.2591280583921595
EOS-3-01577,Cc1cc(Cl)nc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)n1,NHEDACUFSFZKPW-UHFFFAOYSA-N,3,1,0.447,63,536,453.865,3.153,5,0.447,0.85,1.0,0.5012593379480502,0.45845041463916114,0.17088444931807278,0.247447056404633,0.34451031457747927
EOS-3-01578,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)nc4)n23)cc1,PGKSMRXFDXSQJH-UHFFFAOYSA-N,3,1,0.353,52,582,452.453,3.342,6,0.435,0.86,1.0,0.22208039202247962,0.16633541224042217,0.21472997052977863,0.2685559591529025,0.2179254334863957
EOS-3-01579,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)n5)nn4)n23)cc1,SSBNPLNLDOWBDL-UHFFFAOYSA-N,3,1,0.352,74,997,441.43,2.465,6,0.417,0.87,1.0,0.06814131999177575,0.12557398396271674,0.1029915701459804,0.17028476458090605,0.11674790967034473
EOS-3-01580,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5nccnc5C)c4)n23)cc1,SDZSOOKJPGWJOQ-UHFFFAOYSA-N,3,1,0.363,85,357,436.479,2.902,5,0.451,0.8,1.0,0.1558237954903708,0.03612672195188815,0.25067678706051677,0.14180830649030224,0.1461089027482695
EOS-3-01581,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ncc(C#N)cc4Cl)n23)c(F)c1,GVLOSXYVLQLVPA-UHFFFAOYSA-N,3,1,0.429,90,133,423.795,3.002,4,0.536,0.8,1.0,0.7002775683640601,0.6299088479199506,0.7137961757247618,0.6450551709958193,0.672259440751148
EOS-3-01582,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncccn5)cc4)n23)cc1,HGAVSWQCAYRPFS-UHFFFAOYSA-N,3,1,0.422,62,319,421.464,3.199,5,0.468,0.87,1.0,0.22208895894729627,0.07663970940991022,0.39851620862175313,0.28026694537728736,0.24437795558906175
EOS-3-01583,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)cc1,PJMLMCUNYNRGDX-UHFFFAOYSA-N,3,1,0.358,52,916,448.49,3.126,6,0.425,0.83,1.0,0.09429614145706257,0.038988074840655196,0.19741621547529298,0.21275957782194505,0.13586500239873894
EOS-3-01584,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)nc4)n23)cc1,UIHRBGHKRCDHLE-UHFFFAOYSA-N,3,1,0.358,52,916,448.49,3.126,6,0.425,0.83,1.0,0.11165273113563155,0.033051195942704406,0.14588616270303612,0.17315468439448975,0.11593619354396545
EOS-3-01585,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ccc(C)nn5)nc4)n23)cc1,YQLGJEPSUZCKKL-UHFFFAOYSA-N,3,1,0.381,85,357,437.467,2.297,5,0.444,0.8,1.0,0.1612980604482215,0.0427660886848057,0.10566445068878076,0.05251524912617367,0.0905609622369954
EOS-3-01586,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)nn4)n23)cc1,AILQVUMYGCJHEM-UHFFFAOYSA-N,3,1,0.393,0,546,414.429,1.454,5,0.537,0.92,1.0,0.13656534850250154,0.027191419368103625,0.001833321910766911,0.0016362826399835516,0.04180659310533891
EOS-3-01587,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cn1,KYJMNBJVHFKDBO-UHFFFAOYSA-N,3,1,0.33,52,582,448.49,3.511,6,0.438,0.88,1.0,0.08034918785552737,0.033059762867521075,0.16153793434308822,0.1675604824892057,0.11062684188883559
EOS-3-01588,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)cc1F,GWTLVXWPDMULLD-UHFFFAOYSA-N,3,1,0.3,74,768,453.441,2.737,6,0.431,0.84,1.0,0.20562332944966075,0.17904016174354054,0.21473853745459529,0.29209786854910563,0.22287497429922554
EOS-3-01589,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,OPZWBTAYAPYWKG-UHFFFAOYSA-N,3,1,0.37,61,269,454.469,3.285,6,0.437,0.85,1.0,0.21946747995339594,0.1790487286683572,0.2506853539853334,0.3110050716194915,0.2400516585566445
EOS-3-01590,O=C(c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)cc1)N1CC(F)C1,LSQLDBRSIMAVGW-UHFFFAOYSA-N,3,1,0.422,66,264,438.413,3.509,5,0.477,0.8,1.0,0.3162651634569255,0.3129154958536084,0.5324857789048043,0.5976029744362964,0.4398173531629086
EOS-3-01591,CCc1ccc(F)cc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,SKCNWXQBMHVCNV-UHFFFAOYSA-N,3,1,0.439,0,685,433.462,4.115,5,0.497,0.85,1.0,0.3431738743060791,0.31292406277842505,0.5822596120896443,0.645063737920636,0.47085532177369616
EOS-3-01592,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,IQIXOAVMAUYZAI-UHFFFAOYSA-N,3,1,0.43,63,108,418.461,1.742,5,0.486,0.87,1.0,0.08035775478034404,0.020534918785552737,0.011214104585018161,0.00872112946336783,0.03020697690357069
EOS-3-01593,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cn4)n23)cc1,BOCKVPIJQHYZTJ-UHFFFAOYSA-N,3,1,0.383,62,139,442.87,3.323,5,0.454,0.82,1.0,0.16937667055033925,0.20563189637447743,0.42384860530463986,0.3748886299773833,0.29343645055170997
EOS-3-01594,CNC(=O)c1ccc(-c2nnc3cncc(CCOc4ccccc4OC(F)F)n23)cc1,QAFMXUJZBNPFSW-UHFFFAOYSA-N,3,1,0.532,48,576,439.422,3.374,4,0.453,0.84,1.0,0.5660509903365089,0.48471660612706463,0.7473099856075663,0.5697433349324926,0.5919552292509082
EOS-3-01595,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)cn4)n23)cn1,IFSAWYIKUYORNL-UHFFFAOYSA-N,3,1,0.375,82,204,426.415,2.809,5,0.47,0.83,1.0,0.22785449934891372,0.2512679048728668,0.32735076416969366,0.31414913302720854,0.28015557535467067
EOS-3-01596,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,ZUKGDWDQYAXYGH-UHFFFAOYSA-N,3,1,0.317,52,423,437.467,2.541,6,0.449,0.81,0.999,0.14725687067370297,0.020543485710369406,0.039424988006305256,0.05820368720444109,0.06635725789870468
EOS-3-01597,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cc1,CXWRRTLSEDVLJU-UHFFFAOYSA-N,3,1,0.337,62,582,433.475,3.808,6,0.453,0.89,1.0,0.13116818586800083,0.05017647865122336,0.23993386334041533,0.2921064354739223,0.17834624083339046
EOS-3-01598,CCNC(=O)c1ccc(-c2cc(-c3nnc4cncc(Br)n34)cc(F)c2OC)nc1,YNSMPOMLVXYYHH-UHFFFAOYSA-N,3,1,0.494,90,861,471.29,3.513,4,0.479,0.84,1.0,0.5500137070797066,0.4186399150161058,0.44571139743677607,0.307869577136591,0.4305586491672949
EOS-3-01599,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c2)n1,VMYDSHAEKXGAJD-UHFFFAOYSA-N,3,1,0.306,61,336,438.455,1.936,6,0.441,0.81,1.0,0.10907408676581454,0.05384312247275718,0.016585566445068877,0.027114317044753616,0.05165427318209855
EOS-3-01600,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)n4)n23)cc1,RWTGFQWFARYWDE-UHFFFAOYSA-N,3,1,0.351,52,331,440.442,3.07,6,0.451,0.83,1.0,0.09430470838187924,0.19631108217394283,0.19053697484750873,0.29211500239873894,0.19331694195051746
EOS-3-01601,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)cn4)n23)cc1,WNZGAOWAOMPVTH-UHFFFAOYSA-N,3,1,0.341,62,302,433.475,3.808,6,0.453,0.9,1.0,0.14175690494140222,0.0835874854362278,0.2182509766294291,0.29510485915975604,0.1846750565417038
EOS-3-01602,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cc4F)n23)cn1,AUWZNACZUQTQOD-UHFFFAOYSA-N,3,1,0.349,61,336,430.407,1.542,5,0.455,0.8,1.0,0.26571174011376875,0.25613391816873415,0.10300013707079707,0.08415290247412789,0.17724967445685694
EOS-3-01603,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(Cl)cnn4)n23)nc1,NEJOOXFHNQPAIK-UHFFFAOYSA-N,3,1,0.406,63,108,422.836,2.101,5,0.501,0.79,0.999,0.3522976492358303,0.29781200740182306,0.048771502981289835,0.10156946062641355,0.2001126550613392
EOS-3-01604,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4C)n23)nc1,UQNMQQPCLFWHCW-UHFFFAOYSA-N,3,1,0.34,63,129,419.42,2.02,4,0.523,0.82,1.0,0.2926889863614557,0.2561424850935508,0.264855047632102,0.12641354259475018,0.23502501542046467
EOS-3-01605,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1,IXXXZZUFWIMLEB-UHFFFAOYSA-N,3,1,0.647,48,378,451.889,4.098,5,0.457,0.86,1.0,0.7124426016037283,0.5443509697758893,0.5853694057980947,0.6828867109862243,0.6312624220409842
EOS-3-01606,NC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(F)c(Cl)c5)n4)n23)cc1,QYIFELCCKJESEX-UHFFFAOYSA-N,3,1,0.462,96,837,445.845,3.807,5,0.45,0.86,1.0,0.3057792474813241,0.38080837502570075,0.7086388869851278,0.7136248372284285,0.5272128366801453
EOS-3-01607,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCC(F)C5)nc4)n23)cn1,RGKGADLLVMLPRF-UHFFFAOYSA-N,3,1,0.375,63,345,446.446,1.455,5,0.491,0.72,0.998,0.03711191830580495,0.050185045576040026,0.005774107326434103,0.01052018367486807,0.025897813720786787
EOS-3-01608,CCc1nc(C(F)(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,IQGQXEQIBODOFD-UHFFFAOYSA-N,3,1,0.388,63,66,453.428,3.722,5,0.495,0.82,0.983,0.3005619902679734,0.3519207045438969,0.4737680762113632,0.3999468850661367,0.38154941402234255
EOS-3-01609,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncs5)ncn4)n23)cc1,HTMWZIOUZGISSR-UHFFFAOYSA-N,3,1,0.365,52,916,454.519,3.188,6,0.419,0.86,1.0,0.1445325885820026,0.061630457131108214,0.07678534713179357,0.0995048317455966,0.09561330614762524
EOS-3-01610,CNC(=O)c1ccc(-c2nnc3cncc(Cc4c(Cl)ccc(F)c4Cl)n23)cc1,HMXVCCQTXDUOTE-UHFFFAOYSA-N,3,1,0.477,23,646,430.27,4.188,4,0.493,0.83,1.0,0.40001542046467,0.48062161606469744,0.8939157699952025,0.90006682201357,0.668654907134535
EOS-3-01611,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nccc(-c5cnncn5)n4)n23)cc1,PJGLBOSHQISEPF-UHFFFAOYSA-N,3,1,0.306,74,295,436.439,1.992,6,0.438,0.82,1.0,0.1417654718662189,0.01560037009115208,0.038028579261188404,0.0567901446096909,0.06304614145706258
EOS-3-01612,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(Cl)c4)n23)cc1,IRTDPHJOJJZSMS-UHFFFAOYSA-N,3,1,0.551,0,646,435.89,4.261,5,0.491,0.86,1.0,0.42707833596052364,0.46730861489959563,0.5661195257350421,0.6968936330614762,0.5393500274141594
EOS-3-01613,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)cc1Cl,VPJLXOSOWWUHCX-UHFFFAOYSA-N,3,1,0.326,74,413,431.847,2.447,5,0.464,0.82,1.0,0.03061818929477075,0.11530224110753204,0.22906243574806387,0.22389658008361318,0.14971986155849498
EOS-3-01614,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccnn5)n4)n23)cc1,WYRHPGGZOBYGMB-UHFFFAOYSA-N,3,1,0.327,52,423,434.463,3.203,6,0.452,0.83,1.0,0.11739257076279899,0.033068329792337744,0.12511137002261669,0.1702933315057227,0.11146640052086904
EOS-3-01615,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnccn5)nc4)n23)cc1,SMPLLRWXQOMAOQ-UHFFFAOYSA-N,3,1,0.394,74,357,422.452,2.594,5,0.463,0.84,1.0,0.18058220821054075,0.05385168939757385,0.28366801452950446,0.1786803509012405,0.17419556575971487
EOS-3-01616,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccccn5)c4)n23)cc1,FBQRSQHIRHITQU-UHFFFAOYSA-N,3,1,0.385,52,916,447.502,3.731,6,0.426,0.88,1.0,0.11166129806044822,0.050193612500856695,0.21474710437941197,0.2503426769926667,0.1567361729833459
EOS-3-01617,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)nc1,CAHVYZMKKLVCCC-UHFFFAOYSA-N,3,1,0.321,33,997,429.419,2.323,5,0.456,0.81,0.995,0.03565554108697142,0.11237235282023166,0.14907305873483653,0.1467171544102529,0.11095452676307313
EOS-3-01618,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)cn4)n23)cc1F,FVMXKHOJXAHLKH-UHFFFAOYSA-N,3,1,0.392,96,837,443.417,3.553,5,0.456,0.84,1.0,0.2899390034953053,0.3129326297032417,0.6959341374820095,0.679725515728874,0.4946328216023576
EOS-3-01619,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(C#N)cc5)cn4)n23)cc1F,GLKUKXVAWIMGMP-UHFFFAOYSA-N,3,1,0.442,74,837,450.437,3.286,5,0.446,0.86,1.0,0.3137636214104585,0.35691522171201423,0.6959427044068262,0.6421595504077856,0.5021952744842711
EOS-3-01620,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5Cc6ccccc6C5)cc4)n23)cn1,OOYNCAOKWQGAGV-UHFFFAOYSA-N,3,1,0.409,62,504,461.485,3.108,6,0.439,0.85,1.0,0.17188677952162293,0.08687718456582826,0.1458947296278528,0.16500753889383868,0.14241655815228565
EOS-3-01621,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)n1,UVYKXAMATLHYOE-UHFFFAOYSA-N,3,1,0.318,82,974,437.467,2.541,6,0.449,0.8,1.0,0.07007744500034267,0.04654410252895621,0.052609485299157016,0.06281269275580838,0.05801093139606607
EOS-3-01622,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cncnc5)n4)n23)cc1,SPTRILBHNBAYQL-UHFFFAOYSA-N,3,1,0.311,74,582,435.451,2.598,6,0.447,0.83,1.0,0.15045233363032007,0.038996641765471865,0.07898704680967719,0.10377972722911384,0.09305393735864574
EOS-3-01623,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnn5)c4)n23)cc1,XOHXTJIWASWFTK-UHFFFAOYSA-N,3,1,0.423,14,740,442.87,2.986,5,0.443,0.82,1.0,0.22209752587211296,0.20122849701871015,0.5359468165307382,0.5304382838736207,0.37242778082379546
EOS-3-01624,Cn1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cn1,ZNNXOFMDQBKXQA-UHFFFAOYSA-N,3,1,0.358,52,916,450.506,3.07,6,0.427,0.84,1.0,0.09675484887944623,0.025041121239120005,0.17443972311698994,0.17316325131930643,0.11734973613871565
EOS-3-01625,Cc1nccc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)c1F,DGNJZKBUTCFEOU-UHFFFAOYSA-N,3,1,0.537,63,66,433.447,2.543,5,0.477,0.83,1.0,0.41087828113220476,0.23579603865396478,0.09530703858542937,0.11025632239051471,0.2130594201905284
EOS-3-01626,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c(F)c1,VINZWCFXKVDXJB-UHFFFAOYSA-N,3,1,0.578,63,536,452.877,3.493,5,0.431,0.88,1.0,0.5631896374477418,0.4541755191556439,0.40559248852032076,0.5035381399492838,0.48162394626824756
EOS-3-01627,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnn(C)c5)c4)n23)cc1F,OINWZUKPAXTKEH-UHFFFAOYSA-N,3,1,0.333,82,859,428.431,2.753,5,0.472,0.82,1.0,0.18908916455349187,0.17905729559317388,0.5461500239873894,0.4378041258309917,0.33802515249126175
EOS-3-01628,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccncc5)cn4)n23)cc1,RECSKHUAWMDRIX-UHFFFAOYSA-N,3,1,0.389,52,916,447.502,3.731,6,0.426,0.87,1.0,0.11166986498526489,0.029992803783154,0.26862449455143583,0.31101363854430814,0.18032520046604072
EOS-3-01629,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnn(C)n5)c4)n23)cc1Cl,IGHGLTLBNLFAOB-UHFFFAOYSA-N,3,1,0.337,74,413,445.874,2.662,5,0.452,0.8,1.0,0.23880302926461516,0.22055547940511275,0.33492392570762797,0.30126447810294016,0.27388672812007403
EOS-3-01630,Cc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)nn1C,IOCSHNWEULQDRM-UHFFFAOYSA-N,3,1,0.33,52,453,451.494,2.849,6,0.437,0.86,1.0,0.08456411486532794,0.030001370707970668,0.050776163388390104,0.048737235282023166,0.05351972106092797
EOS-3-01631,Cn1cc(-c2cc(F)cc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c2)cn1,BASGPPHAAQCKQE-UHFFFAOYSA-N,3,1,0.34,96,648,431.406,3.236,5,0.471,0.82,1.0,0.20854465081214446,0.2105064765951614,0.7968953464464396,0.7584127201699677,0.49358979850592827
EOS-3-01632,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)c1,XKEMGURITBRGKE-UHFFFAOYSA-N,3,1,0.315,82,974,437.467,2.541,6,0.449,0.85,0.999,0.1365739154273182,0.05386025632239051,0.05631896374477417,0.0695120279624426,0.07906629086423138
EOS-3-01633,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnc(C#N)cn5)cc4)n23)cc1,FYTBWORAWWUVDC-UHFFFAOYSA-N,3,1,0.477,62,637,448.446,3.272,5,0.433,0.86,1.0,0.7782451511205538,0.44081968336645877,0.5426632855870057,0.38744774175861835,0.5372939654581591
EOS-3-01634,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)c(C(F)(F)F)c4)n23)cc1,JDMPADKMJIPSBV-UHFFFAOYSA-N,3,1,0.385,0,999,441.388,4.508,5,0.473,0.92,1.0,0.4175433486395723,0.5721934754300596,0.9624683023781784,0.9480844356109931,0.7250723905147008
EOS-3-01635,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4ccc(C#N)nc4)nc3)n12,JMXNAMRRRNZWAC-UHFFFAOYSA-N,3,1,0.327,62,139,432.447,3.194,5,0.46,0.84,0.999,0.23881159618943185,0.11531080803234871,0.5694520594887259,0.4505260091837434,0.34352511822356246
EOS-3-01636,O=C(c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1)N1CCCC1,VYKPNAPBHJIJER-UHFFFAOYSA-N,3,1,0.38,52,376,454.469,3.414,6,0.413,0.9,0.999,0.08036632170516071,0.10266602700294702,0.010040435885134672,0.07334144335549311,0.06660355698718388
EOS-3-01637,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)cc1F,SCRVHVDOFLEJKM-UHFFFAOYSA-N,3,1,0.295,74,997,442.418,1.86,6,0.437,0.86,1.0,0.04904564457542321,0.14686279213213624,0.040889932149955455,0.08581488588856144,0.08065331368651908
EOS-3-01638,Cc1nc(OC(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,FHSKBXOSVDJOOR-UHFFFAOYSA-N,3,1,0.333,63,66,437.41,3.05,5,0.494,0.79,1.0,0.526951545473237,0.43218422315125765,0.2763090261119868,0.28913371256253856,0.381144626824755
EOS-3-01639,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)n1,KIOCXHFJTUFYAD-UHFFFAOYSA-N,3,1,0.275,33,432,438.455,1.936,6,0.441,0.84,0.595,0.08037488862997738,0.05020217942567336,0.026968679322870264,0.034070659995887875,0.04790410184360221
EOS-3-01640,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,MRDCFJLHBASZKB-UHFFFAOYSA-N,3,1,0.333,52,423,438.455,1.936,6,0.441,0.83,1.0,0.12525700774450002,0.039005208690288534,0.015189157699952025,0.02530669590843671,0.05118951751079432
EOS-3-01641,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)c(F)c1,GSVDJUXLYQSZGX-UHFFFAOYSA-N,3,1,0.541,90,12,428.374,3.202,4,0.507,0.79,1.0,0.6913251319306422,0.5972003289699129,0.8496419025426633,0.6913336988554588,0.7073752655746692
EOS-3-01642,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(F)c(F)c3F)n12,QKQCQMGMTWGKIQ-UHFFFAOYSA-N,3,1,0.38,0,646,453.424,3.7,5,0.451,0.85,1.0,0.48377424439723116,0.5033753683777671,0.7397282571448153,0.7294993489137139,0.6140943047083819
EOS-3-01643,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)c(C)n1,ASBJPIRFUKSFQU-UHFFFAOYSA-N,3,1,0.327,61,917,444.434,1.851,5,0.445,0.8,0.995,0.2360273456240148,0.24120176821328215,0.072544719347543,0.05971146597217463,0.15237132478925364
EOS-3-01644,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4F)n23)cc1F,IPBNMATUMNLXEW-UHFFFAOYSA-N,3,1,0.408,23,646,457.843,4.345,5,0.452,0.89,1.0,0.38241038996641763,0.5443595367007059,0.8633232814748818,0.9213641971078061,0.6778643513124529
EOS-3-01645,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnn(C)c5)c4)n23)cc1Cl,HMJGFYXUIDLQJH-UHFFFAOYSA-N,3,1,0.322,74,450,433.863,2.391,5,0.466,0.79,1.0,0.037120485230621614,0.13220478377081762,0.3349324926324447,0.2891422794873552,0.1983500102803098
EOS-3-01646,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nncc(C)n5)cc4)n23)cc1,WFGAFZAVMIMHIO-UHFFFAOYSA-N,3,1,0.413,62,740,436.479,2.902,5,0.451,0.8,1.0,0.2304931121924474,0.0730501679117264,0.2542748954835172,0.15708313343842095,0.17872532725652798
EOS-3-01647,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)nc1,SGOVZQBRIIKPAX-UHFFFAOYSA-N,3,1,0.581,63,683,418.432,2.839,5,0.496,0.89,1.0,0.4430984853676924,0.14321328216023577,0.20809917072167775,0.28332533753683775,0.2694340689466109
EOS-3-01648,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncnc5)c4)n23)cc1,GHCMMCQWGRDDOL-UHFFFAOYSA-N,3,1,0.358,52,916,448.49,3.126,6,0.425,0.83,1.0,0.13371256253855116,0.04277465560962237,0.2009543554245768,0.22390514700842987,0.15033668014529505
EOS-3-01649,Cc1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)nn1,VVTTWOLVUOLAHR-UHFFFAOYSA-N,3,1,0.317,52,738,449.478,2.906,6,0.434,0.84,1.0,0.12823829758070043,0.022779453087519705,0.10300870399561374,0.12434891371393325,0.09459384209444179
EOS-3-01650,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)nn4)n23)cc1,JKUHNTGSVXORNW-UHFFFAOYSA-N,3,1,0.381,62,302,452.453,3.342,6,0.435,0.86,1.0,0.13117675279281749,0.18749571653759167,0.21825954355424576,0.3295867315468439,0.2166296861078747
EOS-3-01651,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)cc1,LWYAJABZROBJRG-UHFFFAOYSA-N,3,1,0.365,52,582,452.453,3.342,6,0.435,0.86,1.0,0.15853951065725447,0.162523130697005,0.272205469124803,0.3141576999520252,0.22685645260777193
EOS-3-01652,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ncc(F)cn5)c4)n23)cc1,SHBHFBBBTTWFTR-UHFFFAOYSA-N,3,1,0.366,82,738,426.415,2.809,5,0.47,0.84,1.0,0.2844390377630046,0.17502227400452333,0.41620690836817215,0.3263741347405935,0.3005105887190734
EOS-3-01653,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,YVEUKIXZINSWKR-UHFFFAOYSA-N,3,1,0.37,61,269,454.469,3.285,6,0.437,0.86,1.0,0.24397745185388253,0.2258926735658968,0.25768453156055104,0.32638270166541017,0.26348433966143514
EOS-3-01654,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)cc1,AFNBVCWYVNTEBM-UHFFFAOYSA-N,3,1,0.383,0,175,417.404,1.746,5,0.54,0.83,1.0,0.31101363854430814,0.15485573298608732,0.06817558769104243,0.08582345281337811,0.15496710300870398
EOS-3-01655,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F,GSXAULZDIXXPHZ-UHFFFAOYSA-N,3,1,0.701,48,378,451.889,4.098,5,0.457,0.89,1.0,0.7836851483791378,0.5492940853951066,0.5694606264135426,0.6884123774929751,0.6477130594201905
EOS-3-01656,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5nnn(C)n5)c4)n23)cc1F,RUQSVVIWFMBGBS-UHFFFAOYSA-N,3,1,0.41,61,784,443.446,2.071,5,0.442,0.81,1.0,0.2955075046261394,0.25615105201836746,0.21475567130422862,0.17566479336577343,0.23551975532862726
EOS-3-01657,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,GQXAMBYREYLRLD-UHFFFAOYSA-N,3,1,0.276,33,432,439.443,1.331,6,0.429,0.84,1.0,0.1090826536906312,0.05785244328695771,0.008695428688917825,0.011942293194434926,0.04689320471523541
EOS-3-01658,Cc1cccc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)c1,OOFZXJNJBUKMCR-UHFFFAOYSA-N,3,1,0.316,29,704,448.49,3.511,6,0.438,0.87,1.0,0.1693852374751559,0.04278322253443904,0.10836303200603112,0.1371907340141183,0.11443055650743608
EOS-3-01659,CCCn1nc(C2CC2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,SWJKFRXCSZFRCL-UHFFFAOYSA-N,3,1,0.311,63,792,428.5,3.229,6,0.485,0.88,1.0,0.14177403879103556,0.0390137756151052,0.0006510862860667534,0.001884723459666918,0.04583090603796861
EOS-3-01660,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)nn4)n23)cc1,IJZVRQNQUBWUJJ-UHFFFAOYSA-N,3,1,0.349,52,916,450.466,1.916,6,0.411,0.82,1.0,0.11466828867109863,0.020552052635186075,0.03668357206497156,0.05535090124049071,0.056813703652936746
EOS-3-01661,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)nc4OC)n23)cc1Cl,KJRPCRZUXMRYOQ-UHFFFAOYSA-N,3,1,0.34,66,999,444.829,3.813,4,0.503,0.78,1.0,0.5715766568432595,0.5586148995956411,0.7798471660612707,0.6393238982934686,0.63734065519841
EOS-3-01662,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)c(F)c1,MAVYSPABNNXIIO-UHFFFAOYSA-N,3,1,0.363,82,517,452.453,3.342,6,0.435,0.85,1.0,0.21137173600164486,0.2205640463299294,0.2686330614762525,0.34556404632992943,0.26153322253443906
EOS-3-01663,CN1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)cc2)CC1,ABZVCVJGKZCCEE-UHFFFAOYSA-N,3,1,0.422,0,829,482.548,2.133,6,0.464,0.97,1.0,0.07813892125282708,0.002732849016517031,0.001216503323966829,0.0023387704749503117,0.021106761017065313
EOS-3-01664,CCC(C)(C)c1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,VRSUNQWKAOCZRM-UHFFFAOYSA-N,3,1,0.326,63,66,428.5,3.223,5,0.502,0.86,1.0,0.15583236241518744,0.07305873483654307,0.012242135563018298,0.006125351243917484,0.06181464601466657
EOS-3-01665,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5nnnn5C)c4)n23)cc1,NQODEBNLUBXMFC-UHFFFAOYSA-N,3,1,0.41,61,740,425.456,1.932,5,0.457,0.82,1.0,0.16660955383455556,0.1026745939277637,0.11960283736549929,0.08075183332191077,0.11740970461243232
EOS-3-01666,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nn4)n23)cc1,OGRDFIMMRLOZBW-UHFFFAOYSA-N,3,1,0.33,52,423,434.463,3.203,6,0.452,0.84,1.0,0.0967634158042629,0.033076896717154414,0.11364025769309849,0.16501610581865533,0.10212416900829278
EOS-3-01667,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)nn1,WPXTXNCHGJHTSW-UHFFFAOYSA-N,3,1,0.262,33,432,450.466,2.301,6,0.427,0.84,1.0,0.08945582893564526,0.03902234253992187,0.02921321362483723,0.03837125625385512,0.049015660338564866
EOS-3-01668,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccccn5)c4)n23)cc1,MDVGFQFRQDKKIH-UHFFFAOYSA-N,3,1,0.33,52,582,433.475,3.808,6,0.453,0.89,1.0,0.1639880748406552,0.04279178945925571,0.2836765814543212,0.33923308889041187,0.207422383661161
EOS-3-01669,CCc1nc(-c2ccccc2)nc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)n1,ITOOOLLJWLREPI-UHFFFAOYSA-N,3,1,0.351,29,704,440.442,3.111,5,0.445,0.83,1.0,0.2733962716743198,0.22057261325474609,0.12511993694743334,0.1395552052635186,0.18966100678500444
EOS-3-01670,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)NC5CCC5)s4)n23)cc1,CRTALBSTDKFQKU-UHFFFAOYSA-N,3,1,0.378,63,334,446.536,3.086,5,0.474,0.79,1.0,0.25472037557398397,0.06576828181755877,0.02088616270303612,0.021965595229936262,0.09083510383112878
EOS-3-01671,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cncnc5)cn4)n23)cc1,BXZFTEAKSWCOGV-UHFFFAOYSA-N,3,1,0.314,74,295,423.44,2.326,6,0.461,0.86,1.0,0.08249091905969433,0.05386882324720718,0.11961140429031594,0.14412137619080254,0.100023130697005
EOS-3-01672,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(C)ccn5)nc4)n23)cc1F,RSYBOVPCHPYYLX-UHFFFAOYSA-N,3,1,0.33,96,802,439.454,3.722,5,0.458,0.85,1.0,0.26813617983688576,0.2462733877047495,0.5822681790144609,0.47847988486053045,0.39378940785415667
EOS-3-01673,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cncc(F)c5)c4)n23)cc1,JWEGJTKJKOKIRY-UHFFFAOYSA-N,3,1,0.356,62,139,425.427,3.414,5,0.474,0.86,1.0,0.3005705571927901,0.20564046329929409,0.6253769446919334,0.540333082036872,0.4179802618052224
EOS-3-01674,CCc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4C(F)F)n23)cn1,HLBHLCSEDMZGHI-UHFFFAOYSA-N,3,1,0.346,63,5,449.465,3.564,5,0.463,0.81,0.999,0.17754951682544035,0.20564903022411074,0.2944366390240559,0.2951134260845727,0.2431871530395449
EOS-3-01675,NC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(Cl)cc4)n23)cn1,QPZBKXUFEFBHGB-UHFFFAOYSA-N,3,1,0.398,96,204,427.855,3.668,5,0.468,0.86,0.9,0.1972791446782263,0.29281749023370574,0.4564543211568775,0.5339421561236378,0.37012327804811185
EOS-3-01676,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)nc4)n23)cc1,LKSSGYFISSGWNL-UHFFFAOYSA-N,3,1,0.324,52,582,434.463,3.203,6,0.452,0.83,1.0,0.11167843191008156,0.033085463641971076,0.13363546021520115,0.16235179220067164,0.11018778699198135
EOS-3-01677,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)c(F)c5)n4)n23)cc1,NYRMVOHBIXRGKK-UHFFFAOYSA-N,3,1,0.402,29,704,444.405,2.948,5,0.454,0.81,1.0,0.32356418340072646,0.32290453018984305,0.5292731820985539,0.4726458090603797,0.4120969261873758
EOS-3-01678,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1,DPQCLEFDMWDVGM-UHFFFAOYSA-N,3,1,0.378,62,139,442.87,3.323,5,0.454,0.81,1.0,0.21667466246316222,0.22590124049071345,0.41233465835103833,0.36839490096634914,0.3058263655678158
EOS-3-01679,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)cc1,NNVDTEPSOMXLQL-UHFFFAOYSA-N,3,1,0.333,74,246,423.44,2.326,6,0.461,0.85,1.0,0.012713316427935028,0.015608937015968749,0.08858200260434515,0.11513090261119868,0.05800878966486191
EOS-3-01680,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)cc1,PFODKUJRMLZKDA-UHFFFAOYSA-N,3,1,0.571,0,536,421.407,3.541,5,0.515,0.87,1.0,0.8437992598176959,0.3999297512165033,0.6493386334041532,0.6942378863683092,0.6468263827016654
EOS-3-01681,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)cc(F)c4C)n23)cc1,HEIYJAVBNIIYAK-UHFFFAOYSA-N,3,1,0.358,61,917,443.446,2.456,5,0.454,0.82,1.0,0.2681447467617024,0.23580460557878144,0.26864162840106914,0.20667706120211088,0.24481701048591598
EOS-3-01682,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnc(C#N)cn5)cn4)n23)cc1,YQHXZCVXDRCNHX-UHFFFAOYSA-N,3,1,0.384,89,310,449.434,2.667,5,0.428,0.86,1.0,0.6486275786443698,0.3421544102528956,0.39475532862723595,0.2358131725035981,0.4053376225070249
EOS-3-01683,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,NWZBVTFGOHCJEB-UHFFFAOYSA-N,3,1,0.827,48,378,435.434,3.583,5,0.48,0.84,1.0,0.5575526009183743,0.1703190322801727,0.6105989993831814,0.6450723048454526,0.4958857343567953
EOS-3-01684,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1F,RTDSFDPNYHBLIF-UHFFFAOYSA-N,3,1,0.505,90,536,452.877,3.493,5,0.431,0.88,1.0,0.6853796861078747,0.4408282502912754,0.32011171269960936,0.44433212254129256,0.47266294291001304
EOS-3-01685,Cc1nnc(-c2cccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)o1,FNBHHRIHQHCRMV-UHFFFAOYSA-N,3,1,0.365,52,916,452.478,3.028,6,0.417,0.87,1.0,0.14726543759851962,0.027199986292920295,0.03532143101912138,0.04332293879788911,0.06327744842711261
EOS-3-01686,CCc1nccc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)n1,KEGJRAWJMRQYOV-UHFFFAOYSA-N,3,1,0.505,63,66,430.472,2.052,5,0.451,0.87,0.998,0.3662703036118155,0.1917449112466589,0.006493729011034199,0.0051058871907340144,0.14240370776506064
EOS-3-01687,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccnc5F)c4)n23)cc1,GXDFOFOYOVDABL-UHFFFAOYSA-N,3,1,0.394,14,319,425.427,3.077,5,0.433,0.9,0.999,0.23050167911726407,0.17032759920498938,0.5661280926598589,0.4815554108697142,0.3621281954629566
EOS-3-01688,Cc1nc(C)c(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)s1,JDUGWJNZIRSGPK-UHFFFAOYSA-N,3,1,0.396,63,306,422.489,3.487,5,0.532,0.88,1.0,0.14178260571585224,0.16634397916523885,0.048780069906106505,0.08777671167157837,0.111170841614694
EOS-3-01689,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1F)N1CC(F)C1,CVPDQFHHPQPERW-UHFFFAOYSA-N,3,1,0.337,0,688,426.814,3.44,5,0.469,0.86,0.976,0.3479627852785964,0.4847251730518813,0.4493009389349599,0.6709529847166061,0.48823547049551097
EOS-3-01690,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)no1,VWXFKLNFZDBIGN-UHFFFAOYSA-N,3,1,0.358,52,916,452.478,3.028,6,0.417,0.86,1.0,0.15312521417312042,0.07306730176135974,0.048788636830923174,0.05679871153450757,0.08294496607497771
EOS-3-01691,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cncnn5)c4)n23)cc1,IHZLYIGGKBVEBQ-UHFFFAOYSA-N,3,1,0.394,62,740,422.452,2.594,5,0.463,0.83,1.0,0.18614214241655816,0.04655266945377287,0.35363408950723046,0.26255911178123503,0.21222200328969912
EOS-3-01692,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cc1,RGTLVXMFZZGZIL-UHFFFAOYSA-N,3,1,0.412,66,264,462.382,3.791,4,0.441,0.87,1.0,0.36627887053663216,0.4452573504214927,0.9697930230964293,0.8988246179151532,0.6700384654924268
EOS-3-01693,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccncc4F)n23)c(OC(F)F)c1,BFSOEVMTCLVFCO-UHFFFAOYSA-N,3,1,0.361,63,437,440.385,3.486,5,0.493,0.83,0.997,0.5294616544445206,0.6641251456377218,0.7138047426495785,0.743009389349599,0.662600233020355
EOS-3-01694,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COc4ccc(Cl)cn4)n23)cc1,SRXWQAXBIVGWJP-UHFFFAOYSA-N,3,1,0.454,63,536,420.86,3.311,5,0.514,0.82,1.0,0.5088239325611679,0.39020629154958536,0.2542834624083339,0.317130422863409,0.367611027345624
EOS-3-01695,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnc5)cn4)n23)cc1F,BOAISGUSIXHMAR-UHFFFAOYSA-N,3,1,0.406,14,357,439.454,3.338,5,0.451,0.82,1.0,0.28168048797203754,0.24628195462956617,0.5593516551298746,0.4875094236172983,0.39370588033719417
EOS-3-01696,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ncc(-c5cnco5)cc4F)n23)cc1,PQWSGEGNSOMLQR-UHFFFAOYSA-N,3,1,0.404,52,916,455.453,3.463,6,0.417,0.86,1.0,0.33124014803646085,0.24121033513809884,0.26486361455691865,0.3141662668768419,0.28787009115208007
EOS-3-01697,CCn1nc(C(F)(F)F)cc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,CVEQMXQQVYNWBM-UHFFFAOYSA-N,3,1,0.39,66,334,455.444,3.51,5,0.481,0.82,1.0,0.2221060927969296,0.22058118017956274,0.4348485367692413,0.36524227263381537,0.3106945205948872
EOS-3-01698,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1Cl,LPHOEOPSHPBKHD-UHFFFAOYSA-N,3,1,0.33,74,997,431.847,2.447,5,0.464,0.8,1.0,0.03566410801178809,0.12187307244191625,0.287343225275855,0.29831745596600645,0.18579946542389145
EOS-3-01699,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccccn5)c4)n23)cc1,JSJYIFJVXMUPEZ-UHFFFAOYSA-N,3,1,0.411,62,319,421.464,3.199,5,0.468,0.87,1.0,0.14454115550681929,0.06928072099239257,0.36839490096634914,0.2625676787060517,0.21119611404290317
EOS-3-01700,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncccn5)c4)n23)cc1,WWHLTHZXBCEJHO-UHFFFAOYSA-N,3,1,0.489,89,770,438.451,2.582,5,0.43,0.87,1.0,0.6031457747926804,0.2412189020629155,0.2576930984853677,0.1348176958399013,0.30921886779521623
EOS-3-01701,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cc4)n23)cn1,RHUKYGXJHCWVBO-UHFFFAOYSA-N,3,1,0.333,0,21,413.441,2.059,5,0.549,0.94,1.0,0.1417911726406689,0.04656123637858954,0.004814611746967308,0.006133918168734151,0.049825234733739975
EOS-3-01702,Cc1nc(-c2cccnc2)nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,IMUINIVHDCNTLZ-UHFFFAOYSA-N,3,1,0.324,29,582,449.478,2.906,6,0.434,0.84,1.0,0.15046090055513672,0.02720855321773696,0.034079226920704545,0.04457370982112261,0.06408059762867521
EOS-3-01703,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)nc5)n4)n23)cc1F,DATFZWZMHVTAPA-UHFFFAOYSA-N,3,1,0.333,29,849,445.393,2.343,5,0.418,0.83,0.985,0.3409293400041121,0.2821688026865876,0.34989034336234665,0.31713898978822563,0.32253186896031805
EOS-3-01704,CCn1nc(C2CCOCC2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,YCNRMTQPCGYKTD-UHFFFAOYSA-N,3,1,0.321,63,792,432.488,2.323,5,0.515,0.81,1.0,0.024818381193886643,0.004069289287917209,0.0012250702487834966,0.000993763278733466,0.007776626002330203
EOS-3-01705,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)F)cn4)n23)nc1,AFKBVLWIPBLMQC-UHFFFAOYSA-N,3,1,0.358,63,505,422.399,2.397,5,0.508,0.77,0.956,0.10425090809403056,0.15486429991090397,0.14908162565965322,0.17868891782605717,0.14672143787266123
EOS-3-01706,CC1CN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2)CC(C)O1,KKKUQHINAQVGOW-UHFFFAOYSA-N,3,1,0.372,0,901,456.506,2.807,5,0.505,0.79,1.0,0.1282468645055171,0.02721712014255363,0.2219261873757796,0.165024672743472,0.13560371119183057
EOS-3-01707,COc1c(-c2cncc3nnc(-c4ccc(C(=O)NCCO)cc4)n23)ccc(Cl)c1F,ZHRLYDAOVSTQMJ-UHFFFAOYSA-N,3,1,0.406,0,999,441.85,2.982,4,0.477,0.85,1.0,0.5525580837502571,0.4716006442327462,0.7138133095743951,0.6097508738263313,0.5869307278459325
EOS-3-01708,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cccc(F)c5)n4)n23)nc1,IKHHBMFEOGWULO-UHFFFAOYSA-N,3,1,0.394,44,348,442.414,2.46,5,0.424,0.85,1.0,0.49615345075731615,0.27699438009732025,0.2686501953258858,0.2417243506270989,0.3208805942019053
EOS-3-01709,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)c4)n23)cc1,HCAIADXHELASPW-UHFFFAOYSA-N,3,1,0.327,62,302,433.475,3.808,6,0.453,0.88,1.0,0.1472740045233363,0.027225687067370295,0.24343773559043247,0.29512199300938935,0.17826485504763212
EOS-3-01710,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)c(Cl)n1,PQCAJMJHBQZMBL-UHFFFAOYSA-N,3,1,0.35,68,127,434.769,2.675,4,0.493,0.76,0.997,0.260263175930368,0.4140137756151052,0.7269378383935302,0.6303200603111507,0.5078837125625386
EOS-3-01711,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)cn2)cc1,YADVCNKOFNBFQE-UHFFFAOYSA-N,3,1,0.415,62,3,435.422,3.63,5,0.46,0.84,1.0,0.2758549790967034,0.3519292714687136,0.8367486806935782,0.807355561647591,0.5679721232266466
EOS-3-01712,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccc(-c5ccccc5)n4)n23)cc1F,KXGAOWIPRJVELT-UHFFFAOYSA-N,3,1,0.333,62,3,425.427,3.414,5,0.474,0.88,1.0,0.23051024604208073,0.24122746898773217,0.434857103694058,0.41583853060105547,0.33060833733123157
EOS-3-01713,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(C(F)(F)F)nc3)n12,LCCAPMALYGIRBW-UHFFFAOYSA-N,3,1,0.358,66,264,468.439,3.697,5,0.464,0.86,0.999,0.4740250839558632,0.4452659173463094,0.7543005962579672,0.5946987869234459,0.5670725961208964
EOS-3-01714,CCc1nc(C(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,YKXLKJYJVUWHBW-UHFFFAOYSA-N,3,1,0.347,0,862,434.45,4.246,5,0.491,0.87,0.999,0.2547289424988006,0.17906586251799053,0.41979644986635595,0.4060122678363375,0.3149008806798711
EOS-3-01715,O=C(c1ccc(Cc2cncc3nnc(-c4ccsc4)n23)cn1)N1CCC(F)(F)CC1,XQCZPNMURJBYLI-UHFFFAOYSA-N,3,1,0.411,78,345,440.479,3.71,5,0.484,0.86,0.999,0.03864539784798848,0.05387739017202385,0.02480124734425331,0.1517973408265369,0.06728034404770064
EOS-3-01716,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)c5)no4)n23)cn1,HDFUFEOZUJPTDU-UHFFFAOYSA-N,3,1,0.386,82,204,432.831,2.916,5,0.459,0.84,1.0,0.24695874169008292,0.3027808237954904,0.140060653827702,0.1731718182441231,0.2157430093893496
EOS-3-01717,COCCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4C)n23)c(C)n1,XKRFDXAAMBHCDD-UHFFFAOYSA-N,3,1,0.307,63,334,445.527,2.734,5,0.448,0.86,0.999,0.030626756219587416,0.005971146597217463,0.022856555410869714,0.02029504489068604,0.019937375779590157
EOS-3-01718,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4)n23)cc1,YYJLQEOZBWEMDZ-UHFFFAOYSA-N,3,1,0.543,89,637,443.492,3.248,5,0.429,0.9,1.0,0.48628435336851483,0.22590980741553013,0.387533411006785,0.25662223288328423,0.33908745116852856
EOS-3-01719,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(C)cn5)cn4)n23)cc1,QMWNQMLGEPQMLV-UHFFFAOYSA-N,3,1,0.382,85,357,436.479,2.902,5,0.451,0.79,1.0,0.14179973956548558,0.04656980330340621,0.25770166541018436,0.13956377218833527,0.14640874511685287
EOS-3-01720,O=C(c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1)N1CCOCC1,ZWCHINSTOWFZQZ-UHFFFAOYSA-N,3,1,0.441,52,229,452.478,2.511,6,0.413,0.87,1.0,0.005302926461517374,0.0016619834144335549,0.00786443698170105,0.02815091494757042,0.010745065451305599
EOS-3-01721,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)cc1F,CPSQUHVALROLPH-UHFFFAOYSA-N,3,1,0.309,74,450,441.43,2.465,6,0.445,0.78,1.0,0.0402131450894387,0.15487286683572066,0.22193475430059625,0.28614385580152146,0.17579115550681926
EOS-3-01722,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)ccc4F)n23)cc1,JOEVMEKQJRENKH-UHFFFAOYSA-N,3,1,0.426,66,264,455.415,4.432,5,0.452,0.89,1.0,0.45017476526626005,0.5828421629771777,0.9561544787882942,0.9410681241861422,0.7325598828044686
EOS-3-01723,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cn1,ZDKBQIBRWFLVQF-UHFFFAOYSA-N,3,1,0.367,0,21,413.441,2.188,5,0.548,0.92,1.0,0.033162565965321085,0.00492598176958399,0.0024844081968336644,0.00465184017545062,0.011306199026797338
EOS-3-01724,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)s4)n23)cc1,DYLKXAJUGYHBTA-UHFFFAOYSA-N,3,1,0.593,66,536,460.441,3.738,5,0.471,0.85,1.0,0.5448050167911727,0.3664073744088822,0.4979268041943664,0.387456308683435,0.44914887601946407
EOS-3-01725,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nc4)n23)cn1,XYUVVPLCAGGZBO-UHFFFAOYSA-N,3,1,0.38,52,169,451.494,2.885,6,0.413,0.89,0.842,0.04311733260228908,0.00645089438695086,0.002107463504900281,0.0048831471455006515,0.014139709409910217
EOS-3-01726,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,DYWCGWRQYVDGKW-UHFFFAOYSA-N,3,1,0.337,62,302,435.491,3.751,6,0.454,0.87,1.0,0.1666181207593722,0.033094030566787745,0.3164536358028922,0.3455726132547461,0.21543460009594956
EOS-3-01727,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccccn5)cn4)n23)cc1,KLQRKIGEQRRTDS-UHFFFAOYSA-N,3,1,0.387,52,916,447.502,3.731,6,0.426,0.87,1.0,0.10425947501884723,0.04657837022822288,0.2081077376464944,0.24745562332944965,0.15160030155575355
EOS-3-01728,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnnc(Cl)c3)n12,IBLVXXODQHTVFQ-UHFFFAOYSA-N,3,1,0.367,63,437,421.848,2.803,5,0.528,0.85,0.859,0.30827222260297443,0.27700294702213696,0.18398327736275785,0.23582173942841478,0.25127004660407104
EOS-3-01729,Cn1nccc1-c1ncnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,JTEFSMKKDHVPJC-UHFFFAOYSA-N,3,1,0.333,29,849,438.455,1.936,6,0.441,0.8,1.0,0.0943132753066959,0.01419539442121856,0.01735658967856898,0.019558289356452607,0.03635588719073401
EOS-3-01730,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCCc4ccc(F)cc4F)n23)cc1,OCSVZFRGPSORIU-UHFFFAOYSA-N,3,1,0.516,0,646,433.462,4.137,5,0.476,0.85,1.0,0.4293143033376739,0.44527448427112604,0.4530361181550271,0.5854379411966281,0.4782657117401138
EOS-3-01731,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)c(F)c1,FKNXBHGQYUCYIX-UHFFFAOYSA-N,3,1,0.549,63,536,419.42,2.234,5,0.489,0.88,1.0,0.4335292303474745,0.2358131725035981,0.11686142142416558,0.1570917003632376,0.23582388115961894
EOS-3-01732,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4F)n23)cc1,YTELNOPKVVUBRD-UHFFFAOYSA-N,3,1,0.375,62,648,443.417,3.553,5,0.456,0.83,1.0,0.34560688095401276,0.2770115139469536,0.6903913371256254,0.6188318141319992,0.4829603865396478
EOS-3-01733,Cn1cc(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)cn1,MMRGZFKBMPSLKJ-UHFFFAOYSA-N,3,1,0.347,52,916,451.494,2.465,6,0.422,0.83,1.0,0.07814748817764375,0.014203961346035228,0.0885905695291618,0.08778527859639504,0.06718182441230897
EOS-3-01734,Cc1noc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,XNHRSTVNUCNWDU-UHFFFAOYSA-N,3,1,0.326,52,423,438.451,3.104,6,0.444,0.85,1.0,0.19190768281817558,0.08007504626139401,0.042329175519155646,0.05385168939757385,0.09204089849907478
EOS-3-01735,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nn4)n23)cn1,DIUYASXHOLWSEA-UHFFFAOYSA-N,3,1,0.396,63,829,459.47,0.865,5,0.46,0.82,1.0,0.03712905215543828,0.0007967240079501062,0.0003940785415667192,0.00016277157151668836,0.009620656569117949
EOS-3-01736,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)ccn4)n23)cc1F,AOZVQHMQQJTHOJ-UHFFFAOYSA-N,3,1,0.356,74,274,444.405,2.948,5,0.454,0.8,1.0,0.2469673086148996,0.23582173942841478,0.5822767459392776,0.510031868960318,0.39377441573572747
EOS-3-01737,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cn1,AWRSFIOVGQFLOP-UHFFFAOYSA-N,3,1,0.361,82,856,426.415,2.809,5,0.47,0.81,1.0,0.31627373038174217,0.22591837434034678,0.3089490096634912,0.25936364882461793,0.2776261908025496
EOS-3-01738,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)nc1,LFVYYLYXIJLVNZ-UHFFFAOYSA-N,3,1,0.46,68,457,430.35,1.934,4,0.51,0.71,1.0,0.4789681995750805,0.35193783839353027,0.6282211637310671,0.34558118017956274,0.45117709546981016
EOS-3-01739,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)nc1,FCNSPVRCQRPKOV-UHFFFAOYSA-N,3,1,0.432,68,806,430.35,1.934,4,0.51,0.71,1.0,0.5243129326297032,0.3614728257144815,0.6633198547049551,0.42528784867384006,0.493598365430745
EOS-3-01740,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(C)nn5)c4)n23)cc1F,CDNDUMCPKKGWLW-UHFFFAOYSA-N,3,1,0.366,62,124,439.454,3.722,5,0.458,0.83,1.0,0.28722328832842164,0.24123603591254883,0.5694691933383592,0.48473373997669794,0.3956655643890069
EOS-3-01741,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)nc1,PVZKTRDXPOKREN-UHFFFAOYSA-N,3,1,0.442,63,108,419.42,2.234,5,0.458,0.91,1.0,0.3936330614762525,0.13970940991021863,0.11364882461791516,0.14915016105818654,0.19903536426564322
EOS-3-01742,Cc1noc(-c2nccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,ZUKLWMVGKZLXTO-UHFFFAOYSA-N,3,1,0.311,74,295,439.439,2.499,6,0.438,0.87,1.0,0.1805907751353574,0.06928928791720924,0.015197724624768693,0.01787060516756905,0.0707370982112261
EOS-3-01743,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)c(F)c1,MLYDLQAUQAYFRV-UHFFFAOYSA-N,3,1,0.337,82,336,443.446,2.63,5,0.444,0.84,1.0,0.2547375094236173,0.2561596189431842,0.13364402714001783,0.11026488931533136,0.18870151120553766
EOS-3-01744,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(F)c4F)n23)cc1,NDPOLLIIULLITA-UHFFFAOYSA-N,3,1,0.419,0,999,425.826,4.282,5,0.495,0.88,1.0,0.3754711808649167,0.5396819957508053,0.8070814200534576,0.8794376670550339,0.6504180659310534
EOS-3-01745,CC1CCCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nn1,PQLYBXIMZFYLOQ-UHFFFAOYSA-N,3,1,0.371,0,546,442.483,2.362,5,0.513,0.72,1.0,0.059034678911657874,0.01865019532588582,0.0026300459187170175,0.003992186964567199,0.021076776780206977
EOS-3-01746,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)o1,HCSFMCOXIPQKSF-UHFFFAOYSA-N,3,1,0.294,52,432,439.439,2.499,6,0.438,0.83,0.998,0.13118531971763417,0.08008361318621068,0.02170002056061956,0.027122883969570282,0.06502295935850867
EOS-3-01747,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5nnc(C)n5C)c4)n23)cc1,ZOJPEEUVLCDDKI-UHFFFAOYSA-N,3,1,0.34,74,333,425.456,2.317,5,0.47,0.83,1.0,0.11168699883489823,0.042800356384072376,0.07036872044410938,0.03718045370433829,0.06550913234185457
EOS-3-01748,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4C)n23)cc1,OOJXHNOGHNRMHD-UHFFFAOYSA-N,3,1,0.34,61,269,425.456,2.317,5,0.47,0.83,1.0,0.1746110616133233,0.06929785484202591,0.1521742855184703,0.09546981015694607,0.1228882530326914
EOS-3-01749,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(F)ncc4F)n23)cc1,IIPDXCZXFLVDGN-UHFFFAOYSA-N,3,1,0.614,63,536,436.422,2.978,5,0.448,0.83,1.0,0.5473065588376397,0.22058974710437942,0.41980501679117266,0.45053457610856007,0.409558974710438
EOS-3-01750,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(C(=O)NC5CC5)nn4)n23)cc1,JMGGAQGLCQXDII-UHFFFAOYSA-N,3,1,0.413,63,334,428.456,1.358,5,0.453,0.83,1.0,0.29816325131930643,0.09632650263861284,0.009235144952367899,0.008044342402851073,0.10294231032828456
EOS-3-01751,COc1ncc(Oc2cncc3nnc(-c4ccc(C(=O)NCC(F)F)cc4)n23)cc1F,HEUVZHPRGROKLF-UHFFFAOYSA-N,3,1,0.478,90,12,444.373,3.121,4,0.467,0.79,0.999,0.859656637653348,0.6985384826262765,0.734733739976698,0.5170396134603523,0.7024921184291687
EOS-3-01752,N#Cc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc(C(F)(F)F)c1,XZKVVKRUEYTHAQ-UHFFFAOYSA-N,3,1,0.352,66,688,449.396,3.636,5,0.51,0.79,1.0,0.27586354602152013,0.35692378863683094,0.8869594270440683,0.8661246658899322,0.5964678568980879
EOS-3-01753,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nn4)n23)cc1,WVJSQHVERPPWGC-UHFFFAOYSA-N,3,1,0.43,0,546,414.429,1.583,5,0.536,0.9,1.0,0.03865396477280515,0.0030755260091837435,0.0007710232335001028,0.0011394010006168186,0.010909978754026455
EOS-3-01754,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)nc1,JMZGZYASSVGVPD-UHFFFAOYSA-N,3,1,0.404,63,108,423.383,2.331,5,0.474,0.85,1.0,0.4314303337673909,0.17033616612980604,0.27631759303680353,0.31417483380165856,0.29806473168391473
EOS-3-01755,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4F)n23)nc1,DIISZYVBWFSUFF-UHFFFAOYSA-N,3,1,0.385,63,108,441.373,2.47,5,0.458,0.8,1.0,0.46871359056952916,0.2928260571585224,0.4198135837159893,0.45389281063669384,0.4088115105201837
EOS-3-01756,COc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)c(F)c4)n23)ccc1Cl,SIYPKWGXUWJCGW-UHFFFAOYSA-N,3,1,0.37,0,21,437.862,4.105,5,0.48,0.91,1.0,0.4501833321910767,0.5630697005003084,0.20811630457131108,0.4569426358714276,0.41957799328353096
EOS-3-01757,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(C)nc5)cn4)n23)cc1,RXBAQRDHKXDIIT-UHFFFAOYSA-N,3,1,0.396,14,357,436.479,2.902,5,0.451,0.8,1.0,0.1666266876841889,0.06163902405592488,0.2981889520937564,0.15974744705640465,0.1715505277225687
EOS-3-01758,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cnc(C)nc4)n23)cc1F,XTBDJWXWFBJQJT-UHFFFAOYSA-N,3,1,0.33,82,155,441.43,2.512,5,0.451,0.79,1.0,0.257350421492701,0.22059831402919608,0.22907100267288055,0.17567336029059008,0.22067327462134192
EOS-3-01759,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)o1,LJBDSJCYVWQQHE-UHFFFAOYSA-N,3,1,0.337,52,423,438.451,3.104,6,0.444,0.83,1.0,0.1504694674799534,0.039030909464738535,0.042337742443972315,0.05535946816530738,0.0717993968884929
EOS-3-01760,COC1CN(C(=O)c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)C1,AHLSVDFHJFAAFU-UHFFFAOYSA-N,3,1,0.276,63,759,470.493,1.611,6,0.45,0.9,0.998,0.20855321773696114,0.05388595709684052,0.007496059214584333,0.012781851826468371,0.07067927146871358
EOS-3-01761,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cn2)cn1,YIASSBXPBARCFQ-UHFFFAOYSA-N,3,1,0.306,74,450,443.446,2.409,6,0.447,0.78,1.0,0.03866253169762182,0.13586286066753478,0.18718730724419164,0.23006476595161401,0.14794436639024056
EOS-3-01762,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,IENKEKZAULNLSB-UHFFFAOYSA-N,3,1,0.327,52,582,434.463,3.203,6,0.452,0.86,1.0,0.1042680419436639,0.04280892330888904,0.22194332122541294,0.26257624563086834,0.15789913302720854
EOS-3-01763,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)nc4)n23)cc1,ZXYHHQOONRGULT-UHFFFAOYSA-N,3,1,0.381,62,740,422.452,2.594,5,0.463,0.82,1.0,0.19728771160304298,0.050210746350490026,0.27221403604961963,0.17568192721540676,0.17384860530463986
EOS-3-01764,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)cc(-c5nncs5)c4)n23)cc1,KOBUXQGAKQLRFG-UHFFFAOYSA-N,3,1,0.429,62,319,445.483,3.399,5,0.445,0.8,1.0,0.25735898841751764,0.23093859228291413,0.4564628880816942,0.38119388664245085,0.33148858885614424
EOS-3-01765,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(CF)c(F)c4)n23)nc1,RUGUIUQTXPPIGL-UHFFFAOYSA-N,3,1,0.364,63,505,421.411,2.673,5,0.514,0.8,0.372,0.13909259132341856,0.1830666164073744,0.15218285244328697,0.2211208964430128,0.1738657391542732
EOS-3-01766,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)c(F)c4)n23)cc1,QFQYYTPDMMSLBM-UHFFFAOYSA-N,3,1,0.442,14,740,426.415,2.472,5,0.458,0.81,1.0,0.2496573230073333,0.19175347817147556,0.5393307518333219,0.4755071619491467,0.3640621787403194
EOS-3-01767,Cc1cc(-c2nnc3cncc(Cc4ccc(C(=O)NC5CC5)cc4)n23)ccc1Cl,ASICJCKJNGCUEK-UHFFFAOYSA-N,3,1,0.41,0,646,417.9,4.236,5,0.527,0.95,1.0,0.35467925433486397,0.3711191830580495,0.49110753204029883,0.6004985950243301,0.45435114111438557
EOS-3-01768,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)n1,OBNVXWOARDXPMG-UHFFFAOYSA-N,3,1,0.326,74,295,439.443,1.331,6,0.429,0.85,1.0,0.14728257144815296,0.027234253992186964,0.009243711877184566,0.011505380028784868,0.04881647933657734
EOS-3-01769,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(OC)c5)nn4C)n23)cc1,GEMFPQUCOXQPHJ-UHFFFAOYSA-N,3,1,0.357,62,124,440.467,2.622,5,0.447,0.83,1.0,0.2085617846617778,0.14687135905695292,0.13365259406483448,0.06438900692207525,0.1383686861764101
EOS-3-01770,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5(F)CC5)cc4)n23)cc1F,WXBJTJVMEZMSKZ-UHFFFAOYSA-N,3,1,0.361,0,862,448.433,3.146,5,0.457,0.81,1.0,0.3409379069289288,0.3229130971146597,0.43872078678637516,0.4443406894661092,0.38672812007401824
EOS-3-01771,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5F)nc4)n23)cn1,MDFWAAWHSNPGLO-UHFFFAOYSA-N,3,1,0.373,82,478,430.378,2.687,5,0.465,0.77,1.0,0.3261599616201768,0.25616818586800083,0.49793537111918307,0.4935919402371325,0.39346386471112327
EOS-3-01772,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ccn4)n23)cc1F,RSDUYZXXEUQZPX-UHFFFAOYSA-N,3,1,0.326,82,155,426.415,2.809,5,0.47,0.83,0.998,0.20857035158659448,0.20565759714892742,0.5292817490233706,0.4539013775615105,0.34935276883010075
EOS-3-01773,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5F)cn4)n23)nc1,TZBFQFGUKAXWRP-UHFFFAOYSA-N,3,1,0.34,74,776,426.415,2.809,5,0.47,0.83,1.0,0.19452916181207594,0.2154838599136454,0.3536426564320472,0.32959529847166064,0.2733127441573573
EOS-3-01774,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cc1,TWLFPASCZGISIR-UHFFFAOYSA-N,3,1,0.318,74,295,424.428,1.721,6,0.452,0.84,1.0,0.015934480159002125,0.014212528270851895,0.052618052223973685,0.0771794256733603,0.039986121581797
EOS-3-01775,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)ccc5F)nn4)n23)cc1F,SUPJLZBBNIVJQX-UHFFFAOYSA-N,3,1,0.333,22,997,450.384,2.816,5,0.452,0.8,1.0,0.10672674936604756,0.2613597423069015,0.6849513398670414,0.694246453293126,0.43682107120827907
EOS-3-01776,Cn1c(-c2cncnn2)nnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,RJFNGKJTZJVPOY-UHFFFAOYSA-N,3,1,0.337,74,295,439.443,1.331,6,0.429,0.83,1.0,0.07209067233225962,0.011796655472551572,0.005782674251250771,0.009680625042834625,0.024837656774724146
EOS-3-01777,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)cc1,LBKVOOMCOMFBRE-UHFFFAOYSA-N,3,1,0.321,74,450,447.409,2.429,5,0.425,0.83,1.0,0.018641628401069154,0.06164759098074155,0.5528836268932904,0.42855184702899046,0.2654311733260229
EOS-3-01778,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)nc4)n23)cc1,PCGCYPIYCAHDEF-UHFFFAOYSA-N,3,1,0.554,89,656,437.463,3.187,5,0.435,0.87,1.0,0.579792337742444,0.20123706394352683,0.47377664313617984,0.30472551572887396,0.3898828901377562
EOS-3-01779,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnn5)n4)n23)cc1,WPDSODFGFNXQTK-UHFFFAOYSA-N,3,1,0.324,52,423,435.451,2.598,6,0.447,0.8,1.0,0.1116955657597149,0.014221095195668563,0.08617469673086149,0.1219930093893496,0.08352109176889863
EOS-3-01780,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C(F)F)c5)cn4)n23)cc1,RTLMGPGREKQDBM-UHFFFAOYSA-N,3,1,0.345,74,139,446.421,3.472,5,0.444,0.84,1.0,0.17461962853813995,0.1663525460900555,0.690399904050442,0.5266174354053869,0.3894973785210061
EOS-3-01781,Cc1ncc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,TXCGTTBZLHSDCO-UHFFFAOYSA-N,3,1,0.308,29,849,450.466,2.301,6,0.427,0.83,1.0,0.15584092934000413,0.039039476389555204,0.025829278322253443,0.02615482146528682,0.061716126379274906
EOS-3-01782,NC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(Cl)n1,IKECDTFPLOAPFY-UHFFFAOYSA-N,3,1,0.345,0,999,451.849,2.637,5,0.449,0.82,1.0,0.35023302035501336,0.28742889452402165,0.1940322801727092,0.3012730450277568,0.28324181001987525
EOS-3-01783,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC(F)F)nc4)n23)cc1,AVYPJUKIEVLTIZ-UHFFFAOYSA-N,3,1,0.333,0,688,463.448,2.74,5,0.436,0.91,1.0,0.20563189637447743,0.14687992598176958,0.2542920293331506,0.2445685696662326,0.21284310533890757
EOS-3-01784,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(F)cn5)cn4)n23)cc1,QIJZHSLWHOWDKQ-UHFFFAOYSA-N,3,1,0.394,14,357,440.442,2.733,5,0.447,0.77,1.0,0.21384757727366185,0.17907442944280721,0.39476389555205266,0.28333390446165446,0.26775495168254404
EOS-3-01785,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)cc1,AOKIYMVTMKDYJK-UHFFFAOYSA-N,3,1,0.478,0,646,437.906,4.703,4,0.502,0.91,1.0,0.44522308272222605,0.45418408608046057,0.8350095949557946,0.6969021999862929,0.6078297409361936
EOS-3-01786,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,PXLPVPVUOYITHF-UHFFFAOYSA-N,3,1,0.575,63,536,417.473,2.347,5,0.496,0.88,1.0,0.1945377287368926,0.08688575149064492,0.03532999794393804,0.03188609416763759,0.08715989308477828
EOS-3-01787,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(Cl)nn5)n4)n23)cc1,PLYJOWMPTVBXNR-UHFFFAOYSA-N,3,1,0.383,62,423,442.87,3.323,5,0.454,0.81,1.0,0.19729627852785964,0.22060688095401274,0.34199163868137894,0.3141834007264752,0.26851954972243164
EOS-3-01788,Cc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)n1,IIGFNBMQFDOKEF-UHFFFAOYSA-N,3,1,0.617,89,805,437.463,3.235,5,0.433,0.86,0.996,0.5743609074086766,0.15088924679597013,0.3985247755465698,0.24457713659104927,0.3420880165855664
EOS-3-01789,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(OC)nc5)no4)n23)cc1,WWODWZUGEHDBNT-UHFFFAOYSA-N,3,1,0.34,74,333,428.412,2.272,5,0.447,0.88,1.0,0.3616698649852649,0.17908299636762387,0.11686998834898225,0.04458227674593928,0.17555128161195255
EOS-3-01790,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4c(F)cncc4Cl)n23)cn1,DYJHSWLIVWFJIX-UHFFFAOYSA-N,3,1,0.573,63,66,453.865,2.888,5,0.458,0.81,1.0,0.5187786991981358,0.4321927900760743,0.17756665067507368,0.2983260228908231,0.3567160407100267
EOS-3-01791,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4)n23)cc1F,JGBVHOIMLNDVFK-UHFFFAOYSA-N,3,1,0.333,62,648,441.426,3.539,5,0.445,0.86,1.0,0.5214944143650195,0.48473373997669794,0.5593602220546913,0.4285604139538071,0.49853719758755394
EOS-3-01792,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)cn1,AAOXICXJGCHDBR-UHFFFAOYSA-N,3,1,0.324,52,582,436.479,3.146,6,0.454,0.82,1.0,0.06426906997464191,0.025049688163936674,0.19742478240010966,0.20668562812692756,0.12335729216640395
EOS-3-01793,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)cn4)n23)cc1,GWCOJSDDCPWFQE-UHFFFAOYSA-N,3,1,0.411,62,3,424.439,4.019,5,0.471,0.93,1.0,0.22786306627373037,0.26136830923171817,0.7243077924748133,0.6768812966897403,0.47260511616750056
EOS-3-01794,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)cc1,WXPVPBHFZWUUIV-UHFFFAOYSA-N,3,1,0.361,61,331,457.885,2.98,6,0.431,0.87,1.0,0.11467685559591528,0.2512764717976835,0.08121444726201082,0.20669419505174422,0.16346549242683844
EOS-3-01795,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccc5F)n4)n23)cc1,SFOPDTOBCHEGNI-UHFFFAOYSA-N,3,1,0.366,62,139,425.427,3.414,5,0.474,0.85,1.0,0.22501884723459667,0.2718285244328696,0.4911160989651155,0.4350027414159413,0.35574155301213073
EOS-3-01796,O=C(NC1CCC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1,MQAZTNDPKLJPBQ-UHFFFAOYSA-N,3,1,0.324,52,582,448.49,3.593,6,0.437,0.89,1.0,0.19191624974299226,0.030009937632787333,0.07472071825097663,0.12435748063874992,0.10525109656637653
EOS-3-01797,c1nc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nc(N2CCOCC2)n1,UBUNIVVTORNBCJ-UHFFFAOYSA-N,3,1,0.3,31,489,443.496,2.603,6,0.414,0.84,1.0,0.04022171201425536,0.006459461311767528,0.0015763141662668769,0.004146391611267219,0.013100969775889246
EOS-3-01798,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCCC6)nc5)n34)cc2)nn1,YDFFFFCCPRLLEV-UHFFFAOYSA-N,3,1,0.391,52,169,451.494,2.885,6,0.413,0.89,1.0,0.017724967445685698,0.006468028236584196,0.0031183606332670826,0.010057569734768007,0.009342231512576247
EOS-3-01799,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnn(C(F)F)c5)c4)n23)cc1,SLFGBMBPZWSAKS-UHFFFAOYSA-N,3,1,0.337,74,859,446.421,3.472,5,0.444,0.83,1.0,0.1693938043999726,0.16253169762182168,0.7347423069015147,0.5793382907271606,0.4115015249126174
EOS-3-01800,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc(C(F)F)cn4)n23)cc1,PAXSMPKAGAAJFU-UHFFFAOYSA-N,3,1,0.576,66,12,425.399,2.5,4,0.485,0.79,1.0,0.6142142416558152,0.41864848194092247,0.45304468507984375,0.26856452607771913,0.43861798368857513
EOS-3-01801,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(C)cn5)cc4)n23)cc1,RLOVTVSJBTXJBA-UHFFFAOYSA-N,3,1,0.531,62,637,437.463,3.709,5,0.447,0.84,1.0,0.7066427935028442,0.3129411966280584,0.3910287163319855,0.23583030635323143,0.41161075320402984
EOS-3-01802,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4OC)n23)cn1,MQTUTPPJZMNBMS-UHFFFAOYSA-N,3,1,0.336,63,334,417.473,2.499,5,0.496,0.95,1.0,0.07815605510246042,0.033102597491604414,0.04714378726612295,0.032982660544171066,0.047846275101089714
EOS-3-01803,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5cnccn5)c4)n23)cc1,LLTLYZQWPPSIEN-UHFFFAOYSA-N,3,1,0.378,85,357,422.452,2.594,5,0.463,0.83,1.0,0.1746281954629566,0.05786101021177438,0.3273593310945103,0.2211294633678295,0.1952445000342677
EOS-3-01804,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccc5F)n4)n23)cc1F,NPJFPXJGDRJBLO-UHFFFAOYSA-N,3,1,0.353,96,802,443.417,3.553,5,0.456,0.83,1.0,0.2758721129463368,0.27183709135768624,0.6015009252278802,0.5697519018573093,0.4297405078473031
EOS-3-01805,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1F,YVBFYBFAVZXEOL-UHFFFAOYSA-N,3,1,0.563,63,536,452.877,3.493,5,0.431,0.86,1.0,0.657622849701871,0.4230433143718731,0.40895072304845453,0.5100404358851347,0.49991433075183334
EOS-3-01806,O=C(NCC(F)F)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,VGVDOMARHNCTLS-UHFFFAOYSA-N,3,1,0.296,0,862,463.448,2.74,5,0.436,0.88,1.0,0.1746367623877733,0.14322184908505242,0.28368514837913783,0.2656860393393188,0.21680744979782057
EOS-3-01807,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1F,FXQHMJDTHHPUQX-UHFFFAOYSA-N,3,1,0.349,61,648,426.415,2.809,5,0.47,0.81,1.0,0.27588067987115344,0.2012456308683435,0.5426718525118224,0.47848845178534716,0.3745716537591666
EOS-3-01808,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cnc(F)cn5)n4)n23)cc1,ZMHLVOZNLHCTLO-UHFFFAOYSA-N,3,1,0.381,74,139,444.405,2.948,5,0.454,0.8,1.0,0.24697587553971626,0.23583030635323143,0.4772119799876636,0.4127116030429717,0.34318244123089575
EOS-3-01809,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1C,NNGLYILWZBQVLW-UHFFFAOYSA-N,3,1,0.32,52,295,451.494,2.849,6,0.437,0.85,1.0,0.09432184223151258,0.04658693715303955,0.03146631485162086,0.04082139675142211,0.05329912274689877
EOS-3-01810,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(CO)cc3F)n12,DQPBQYYXWBUEJE-UHFFFAOYSA-N,3,1,0.344,0,999,433.443,2.991,5,0.485,0.87,0.996,0.3957833596052361,0.2874374614488383,0.5258549790967034,0.49059351655129874,0.42491732917551917
EOS-3-01811,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nncc(C)n5)n4)n23)cc1,YJEDXSKEURPYPP-UHFFFAOYSA-N,3,1,0.337,74,423,423.44,2.373,5,0.467,0.83,1.0,0.12825543143033377,0.04281749023370571,0.10037865807689672,0.05972003289699129,0.08279290315948187
EOS-3-01812,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(C(=O)c5ccc(F)cc5)c4)n23)cn1,DLNFXNBROLJVOO-UHFFFAOYSA-N,3,1,0.375,62,504,438.422,3.322,5,0.421,0.87,1.0,0.3032006031115071,0.31294976355287507,0.5853779727229114,0.5569529161812076,0.4396203138921253
EOS-3-01813,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cn4)n23)cc1,LYFXBFQTMYBOQQ-UHFFFAOYSA-N,3,1,0.356,0,175,413.441,2.059,5,0.549,0.93,1.0,0.16399664176547188,0.030018504557604003,0.00609965046946748,0.007795901583167706,0.05197767459392776
EOS-3-01814,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4OC)n23)cc1,BSQIGOUSZNXRIM-UHFFFAOYSA-N,3,1,0.366,61,917,441.455,2.017,5,0.439,0.84,1.0,0.2573675553423343,0.09306250428346241,0.14909019258446987,0.07131108217394284,0.14270783359605235
EOS-3-01815,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nc4)n23)c(Cl)c1F,HYHRXXUQHMLXIZ-UHFFFAOYSA-N,3,1,0.356,63,9,457.296,4.115,5,0.456,0.83,0.974,0.23322596120896444,0.3614813926392982,0.585386539647728,0.7661914879035021,0.4865713453498732
EOS-3-01816,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C)cc(C(F)F)n4)n23)nc1,OIUWQEYKIMKGST-UHFFFAOYSA-N,3,1,0.424,68,457,425.399,2.766,4,0.506,0.77,1.0,0.4570454389692276,0.29283462408333905,0.4772205469124803,0.26569460626413544,0.3731988040572956
EOS-3-01817,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cnc(F)cn5)c4)n23)cc1,UYPNCJIIMYXQED-UHFFFAOYSA-N,3,1,0.404,96,648,429.39,3.292,5,0.469,0.83,0.989,0.24698444246453294,0.17909156329244055,0.754309163182784,0.7110461928586115,0.4728578404495922
EOS-3-01818,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1F,UCNLVMLZKWJCIK-UHFFFAOYSA-N,3,1,0.602,23,721,453.424,3.722,5,0.461,0.85,1.0,0.6794256733602906,0.46311938866424507,0.7163491193201289,0.7733191693509698,0.6580533376739086
EOS-3-01819,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cc5F)nc4)n23)cc1,YKOUDBZKHIZYQB-UHFFFAOYSA-N,3,1,0.357,96,139,443.417,3.553,5,0.456,0.82,1.0,0.3210455075046261,0.2718456582825029,0.6743026523199233,0.6066496470426975,0.46846086628743744
EOS-3-01820,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cc1F,BYORVEGZUZHTRZ-UHFFFAOYSA-N,3,1,0.364,96,802,443.417,3.553,5,0.456,0.82,1.0,0.31377218833527515,0.2928431910081557,0.7011256939209102,0.6535621273387705,0.49032580015077787
EOS-3-01821,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(Cl)cc4F)n23)cc1,RPRUDQRJVYVLFA-UHFFFAOYSA-N,3,1,0.434,0,646,435.89,4.261,5,0.491,0.83,1.0,0.4525820711397437,0.4497035844013433,0.542680419436639,0.6856966623260914,0.5326656843259543
EOS-3-01822,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)c(F)c1,TZWJFRLYJPYXBC-UHFFFAOYSA-N,3,1,0.578,63,536,418.432,2.839,5,0.496,0.9,1.0,0.5500222740045233,0.33219964361592763,0.19404084709752586,0.24458570351586595,0.33021211705846065
EOS-3-01823,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(F)c1,AJDODWMLAQDWDZ-UHFFFAOYSA-N,3,1,0.396,63,437,417.404,1.984,5,0.511,0.9,1.0,0.19730484545267632,0.24629052155438283,0.15219141936810363,0.17318038516893977,0.19224179288602564
EOS-3-01824,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5csnn5)cc4)n23)cc1,ISCVPWJLJZRAHV-UHFFFAOYSA-N,3,1,0.378,62,916,453.531,3.793,6,0.42,0.91,1.0,0.10169796449866356,0.06577684874237544,0.19743334932492632,0.25035124391748337,0.15381485162086217
EOS-3-01825,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,SSZVLJWWAQQDKT-UHFFFAOYSA-N,3,1,0.827,48,378,451.889,4.098,5,0.457,0.88,1.0,0.6282896991296004,0.4186570488657392,0.6106075663079981,0.685705229250908,0.5858148858885615
EOS-3-01826,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncc(F)c5)cn4)n23)cc1,QCOPFVXIYXBHFL-UHFFFAOYSA-N,3,1,0.404,85,357,440.442,2.733,5,0.447,0.76,1.0,0.2758892467959701,0.2561767527928175,0.38754197793160167,0.3047340826536906,0.30608551504351994
EOS-3-01827,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5nnnn5C)cc4F)n23)cc1,NFRTWZBVKPLPKN-UHFFFAOYSA-N,3,1,0.379,74,333,430.407,1.542,5,0.455,0.78,1.0,0.2138561441984785,0.2462990884791995,0.11365739154273181,0.09739736824069632,0.16780249811527653
EOS-3-01828,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(C(F)(F)F)cn3)n12,IWLKSYQRAPEEEU-UHFFFAOYSA-N,3,1,0.364,66,5,469.427,3.092,5,0.462,0.82,1.0,0.41998492221232264,0.42751524912617367,0.5761770954698101,0.4252964155986567,0.4622434206017408
EOS-3-01829,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)cc4)n23)cc1,GLBFBZRXCSSPEG-UHFFFAOYSA-N,3,1,0.409,62,319,421.464,3.199,5,0.468,0.86,1.0,0.2194760468782126,0.08359605236104448,0.5258635460215201,0.40602083476115414,0.3087391200054828
EOS-3-01830,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cn1,BWLUTAOHDLWPHU-UHFFFAOYSA-N,3,1,0.523,63,66,421.848,2.706,5,0.51,0.85,1.0,0.4912703036118155,0.44083681721609214,0.0979884860530464,0.17318895209375643,0.30082113974367763
EOS-3-01831,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1F,XGKVYDRWUDMQBL-UHFFFAOYSA-N,3,1,0.333,74,768,427.403,2.204,5,0.463,0.8,1.0,0.22787163319854706,0.17503084092934001,0.37245562332944965,0.3110222054691248,0.27159507573161534
EOS-3-01832,Cc1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)c(Cl)n1,CUZYVOXDVXHIMU-UHFFFAOYSA-N,3,1,0.442,63,66,436.863,2.409,5,0.489,0.78,1.0,0.45705400589404427,0.39484099787540267,0.020894729627852784,0.038379823178671786,0.22779238914399288
EOS-3-01833,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)nn1,CBJKBMYPHJSQQM-UHFFFAOYSA-N,3,1,0.264,33,432,438.455,1.936,6,0.441,0.86,0.874,0.03440477006373792,0.027242820917003634,0.029221780549653895,0.03718902062915496,0.032014598039887605
EOS-3-01834,CCc1ncc(C(F)F)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,MHYKIPRTOXRODC-UHFFFAOYSA-N,3,1,0.283,63,108,435.438,3.641,5,0.497,0.8,0.354,0.06081659927352478,0.1432304160098691,0.3017099581934069,0.33290213145089437,0.2096647762319238
EOS-3-01835,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cccnc5)c(F)c4)n23)cc1,HVCUDXGINGPFIF-UHFFFAOYSA-N,3,1,0.408,14,357,439.454,3.338,5,0.451,0.81,1.0,0.2278802001233637,0.21051504351997807,0.5359553834555548,0.44110239188540884,0.3538632547460764
EOS-3-01836,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)cn4)n23)cc1F,WRHFSLBNYGAKQQ-UHFFFAOYSA-N,3,1,0.333,74,768,429.419,2.148,5,0.465,0.79,1.0,0.14729113837296964,0.19176204509629224,0.2981975190185731,0.2388972654375985,0.21903699198135837
EOS-3-01837,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)nc4)n23)cc1F,FNRKJZPXYMNJKF-UHFFFAOYSA-N,3,1,0.306,74,582,452.453,3.342,6,0.435,0.85,1.0,0.2003118360633267,0.21052361044479473,0.23282331574258106,0.3012816119525735,0.236235093550819
EOS-3-01838,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,ZOIIAPQWUMUJFS-UHFFFAOYSA-N,3,1,0.33,52,582,436.479,3.146,6,0.454,0.84,1.0,0.09433040915632925,0.02056061956000274,0.20096292234939347,0.2127681447467617,0.1321555239531218
EOS-3-01839,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COc4ccc(Cl)nn4)n23)nc1,TXXQDBPAASBTMK-UHFFFAOYSA-N,3,1,0.347,63,108,422.836,2.101,5,0.501,0.77,1.0,0.3662874374614488,0.2512850387225002,0.039433554931121925,0.07131964909875951,0.1820814200534576
EOS-3-01840,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1F,XAFOZSOERSHBMO-UHFFFAOYSA-N,3,1,0.511,63,536,457.918,4.159,5,0.45,0.91,1.0,0.6942721540675759,0.4541926530052772,0.35365122335686383,0.487517990542115,0.497408505242958
EOS-3-01841,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)nc1,HZUNISGMNBFZKQ-UHFFFAOYSA-N,3,1,0.271,33,432,436.439,1.992,6,0.438,0.84,0.879,0.08689431841546158,0.0272513878418203,0.04715235419093962,0.0659481872387088,0.05681156192173257
EOS-3-01842,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncccc5C)cn4)n23)cc1,FVOUPNXCUNNOLZ-UHFFFAOYSA-N,3,1,0.384,62,357,435.491,3.507,5,0.454,0.82,1.0,0.16663525460900555,0.07664827633472689,0.3420002056061956,0.22113803029264614,0.20160544171064354
EOS-3-01843,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4)n23)cc1,BAHBRLFTFVOUNE-UHFFFAOYSA-N,3,1,0.317,74,333,425.456,2.399,5,0.46,0.84,1.0,0.13119388664245082,0.03613528887670482,0.1030172709204304,0.05972859982180796,0.0825187615653485
EOS-3-01844,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,RPNYQRJSFMHSMH-UHFFFAOYSA-N,3,1,0.32,52,295,437.467,2.541,6,0.449,0.81,1.0,0.1391011582482352,0.02278802001233637,0.06013981221300802,0.08243095058597766,0.07611498526488931
EOS-3-01845,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cn(C)nc5C)nc4)n23)cc1F,UTPBZMFCMDAVNR-UHFFFAOYSA-N,3,1,0.333,74,413,443.446,2.456,5,0.454,0.79,1.0,0.18615070934137481,0.18307518333219108,0.20812487149612774,0.13719930093893495,0.17863751627715713
EOS-3-01846,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(C)o5)nc4)n23)cc1,LJQLIOADXANLEN-UHFFFAOYSA-N,3,1,0.565,89,398,442.439,2.483,5,0.421,0.86,1.0,0.4687221574943458,0.11854053868823247,0.14287060516756905,0.05821225412925776,0.1970863888698513
EOS-3-01847,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)nn1,WQBHQAMBCZYWJJ-UHFFFAOYSA-N,3,1,0.34,62,302,448.49,3.511,6,0.438,0.85,1.0,0.11468542252073195,0.030027071482420672,0.12788705366321707,0.1597560139812213,0.10808889041189775
EOS-3-01848,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnn4-c4ccc(F)cc4)n23)c(F)c1,DNNVKARCYQBHRO-UHFFFAOYSA-N,3,1,0.363,22,681,432.394,2.677,5,0.468,0.8,0.995,0.07396682886710987,0.2105321773696114,0.47046981015694606,0.47551572887396343,0.3076211363169077
EOS-3-01849,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cn1,WKQFZWZLTYENDF-UHFFFAOYSA-N,3,1,0.523,68,127,429.362,2.539,4,0.52,0.76,1.0,0.5743694743334933,0.5535347131793571,0.829997943938044,0.609759440751148,0.6419153930505106
EOS-3-01850,CC(C)(C)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)n23)cn1,DWDMUIWGMHQLKF-UHFFFAOYSA-N,3,1,0.376,63,306,461.957,4.015,5,0.482,0.87,1.0,0.19731341237749297,0.24630765540401617,0.09531560551024604,0.08779384552121171,0.1566826297032417
EOS-3-01851,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4Cl)n23)cc1,FPVMYIBHVHXOKU-UHFFFAOYSA-N,3,1,0.595,23,17,429.814,3.662,4,0.49,0.8,1.0,0.960129531903228,0.7960900555136728,0.907442944280721,0.8677438146802824,0.882851586594476
EOS-3-01852,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c(Cl)c1,JUKKBHDDGPCVAC-UHFFFAOYSA-N,3,1,0.685,23,406,446.269,4.176,4,0.498,0.8,1.0,0.9098331163045713,0.8163765334795422,0.9113323281474882,0.9034935919402372,0.8852588924679596
EOS-3-01853,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnc(F)c5)cn4)n23)cc1F,HHOSHUYTMZJJGO-UHFFFAOYSA-N,3,1,0.341,82,736,444.405,2.948,5,0.424,0.85,1.0,0.2439860187786992,0.2613768761565349,0.5661366595846755,0.5138441505037352,0.3963359262559112
EOS-3-01854,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1F,HEECAPIVJRTLTI-UHFFFAOYSA-N,3,1,0.345,96,648,425.427,3.414,5,0.474,0.86,1.0,0.2788448358577205,0.2412446028373655,0.6877270235076417,0.6274587074223836,0.4588187924062779
EOS-3-01855,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccn4)c3)n12,MSLZLDONIJACFD-UHFFFAOYSA-N,3,1,0.31,52,246,452.478,2.94,6,0.421,0.86,0.952,0.04457370982112261,0.06930642176684257,0.12512850387225002,0.117443972311699,0.08911315194297854
EOS-3-01856,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(Cl)c5)n4)n23)cc1,ZMXYMXXVNHUCQX-UHFFFAOYSA-N,3,1,0.386,29,704,442.87,3.323,5,0.454,0.81,1.0,0.20857891851141114,0.26138544308135153,0.327367898019327,0.3329106983757111,0.28256073949695015
EOS-3-01857,Cc1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n(C)n1,TZMLAPGKVDOIFH-UHFFFAOYSA-N,3,1,0.34,29,849,452.482,2.244,6,0.43,0.85,0.997,0.07397539579192652,0.02056918648481941,0.013886985127818519,0.013381536563635117,0.030453275992049895
EOS-3-01858,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)cn1,UGSASMHRZOJEPZ-UHFFFAOYSA-N,3,1,0.336,74,295,456.445,2.075,6,0.426,0.85,1.0,0.1834092934000411,0.17034473305462272,0.05078473031320677,0.09740593516551299,0.1254861729833459
EOS-3-01859,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nc5)n34)nn2)o1,DLOHHHJQZJCEAG-UHFFFAOYSA-N,3,1,0.255,53,974,440.427,1.894,6,0.429,0.85,1.0,0.07604002467274347,0.02505825508875334,0.006108217394284148,0.007213350695634295,0.028604961962853812
EOS-3-01860,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccn(-c5cc(F)cc(F)c5)n4)n23)cc1,OQBKHFWUTMUODS-UHFFFAOYSA-N,3,1,0.345,62,331,445.433,3.672,5,0.446,0.83,1.0,0.07398396271674319,0.13587142759235146,0.6166900829278322,0.5729644986635597,0.3498774929751216
EOS-3-01861,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(C)nn5)cn4)n23)cc1,SPAGMTQYIQSEIC-UHFFFAOYSA-N,3,1,0.337,74,453,424.428,1.768,5,0.457,0.82,1.0,0.11740113768761565,0.036143855801521484,0.07037728736892605,0.034079226920704545,0.06450037694469193
EOS-3-01862,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1Cl,PXSBHHHLBBVKMD-UHFFFAOYSA-N,3,1,0.336,61,997,448.849,3.191,5,0.453,0.81,1.0,0.09677198272907957,0.25618531971763414,0.5158231101363855,0.5760228908231101,0.36120082585155233
EOS-3-01863,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)cc1,MAZRJMXVWZURSS-UHFFFAOYSA-N,3,1,0.371,62,648,425.427,3.414,5,0.474,0.85,1.0,0.26815331368651907,0.2613940100061682,0.7037043382907272,0.6217103008703996,0.46374049071345347
EOS-3-01864,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(F)c1,CVJOUBAQTFIUCW-UHFFFAOYSA-N,3,1,0.307,61,523,456.445,2.075,6,0.426,0.84,0.999,0.14180830649030224,0.2309471592077308,0.05458844493180728,0.10579295456103077,0.13328421629771775
EOS-3-01865,CCc1nc(Cl)cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,NBTOEUDRSFFETN-UHFFFAOYSA-N,3,1,0.384,63,108,450.89,2.663,5,0.426,0.85,1.0,0.32357275032554317,0.3129583304776917,0.019986635597285998,0.032991227468987736,0.17237723596737717
EOS-3-01866,CCn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,BOMGFGXKBVDWKP-UHFFFAOYSA-N,3,1,0.37,61,124,442.458,3.235,5,0.448,0.85,1.0,0.18059934206017408,0.34216297717771227,0.1428791720923857,0.14672572133506956,0.20309180316633538
EOS-3-01867,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(OC)n5)cn4)n23)cc1,DFPHOFHKRGJEHU-UHFFFAOYSA-N,3,1,0.337,62,139,437.463,3.284,5,0.45,0.84,1.0,0.34318244123089575,0.13971797683503528,0.37996024946885065,0.2095726817901446,0.26810833733123157
EOS-3-01868,CCCc1ncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nn1,WTIZTQXLIMGVPL-UHFFFAOYSA-N,3,1,0.458,63,536,430.472,2.4,5,0.452,0.82,1.0,0.3456154478788294,0.12188163936673292,0.007873003906517717,0.008378452470701117,0.1209371359056953
EOS-3-01869,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4F)n23)cc1,FFOFMHPFADXNHW-UHFFFAOYSA-N,3,1,0.394,74,139,430.378,2.687,5,0.435,0.84,0.986,0.2681618806113358,0.22061544787882942,0.5461585909122062,0.48156397779453086,0.3791249742992256
EOS-3-01870,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2)ncn1,UVPKKUMGHFMAID-UHFFFAOYSA-N,3,1,0.391,62,319,421.464,3.246,5,0.466,0.89,1.0,0.21948461380302928,0.06165615790555822,0.4704783770817627,0.3423942841477623,0.2735033582345281
EOS-3-01871,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(C(F)(F)F)c4F)n23)cc1,RTKCATLHEPYBDW-UHFFFAOYSA-N,3,1,0.448,66,225,447.367,4.039,4,0.48,0.81,1.0,0.5269601123980536,0.6739257076279899,0.9889401000616819,0.9614231375505449,0.7878122644095675
EOS-3-01872,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,XZWJNOIPXZLVHE-UHFFFAOYSA-N,3,1,0.333,62,302,434.463,3.203,6,0.452,0.82,1.0,0.16400520869028853,0.033111164416421084,0.23618155027071483,0.28915084641217187,0.18061219244739907
EOS-3-01873,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)nc1,IEAKHYDHLDFTMU-UHFFFAOYSA-N,3,1,0.408,63,108,454.853,2.282,5,0.422,0.84,1.0,0.4270869028853403,0.27702008087177027,0.04555033925022274,0.10378829415393051,0.21336140429031597
EOS-3-01874,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cc4Cl)n23)cc1,WQXHWYBMILSYSG-UHFFFAOYSA-N,3,1,0.675,90,636,429.267,3.214,4,0.504,0.79,1.0,0.7002861352888767,0.4091477623192379,0.5013707079706669,0.5440082927832225,0.538703224590501
EOS-3-01875,COc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nn1,GURKPKYGQQLWCA-UHFFFAOYSA-N,3,1,0.343,52,997,452.478,2.94,6,0.421,0.84,1.0,0.15047803440477006,0.10593859228291412,0.11687855527379892,0.12436604756356658,0.12441530738126241
EOS-3-01876,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccc5F)cc4)n23)cn1,JJNHUWDVIVKLPF-UHFFFAOYSA-N,3,1,0.373,96,204,425.427,3.414,5,0.474,0.84,1.0,0.27340483859913645,0.25619388664245085,0.47722911383729694,0.4411109588102255,0.3619846994722774
EOS-3-01877,Cc1ccc(-c2nnc3cncc(Cc4ccc(C(=O)NCc5cncc(F)c5)cn4)n23)cn1,WSVJIHOTOJCVOC-UHFFFAOYSA-N,3,1,0.377,85,290,454.469,2.945,5,0.42,0.82,1.0,0.3235813172503598,0.2770286477965869,0.3684034678911658,0.2742872318552532,0.31082516619834144
EOS-3-01878,Cc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)cc1F,QRUQOGIWNRQPAM-UHFFFAOYSA-N,3,1,0.298,33,432,455.457,2.774,6,0.433,0.83,0.999,0.020586320334452745,0.1322133506956343,0.1428877390172024,0.17569049414022342,0.11784447604687821
EOS-3-01879,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(C#N)cn5)cn4)n23)cc1,XTVBGSXVCZDIDV-UHFFFAOYSA-N,3,1,0.396,89,310,448.446,3.272,5,0.433,0.86,1.0,0.6115841957370982,0.36148995956411484,0.5593687889795079,0.3909087793845521,0.4808379309163182
EOS-3-01880,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(F)c5)no4)n23)cc1F,BEMCKVVAPMSVAX-UHFFFAOYSA-N,3,1,0.383,45,837,451.368,3.285,5,0.446,0.82,1.0,0.39364162840106914,0.4452830511959427,0.6714498663559728,0.6591820300185045,0.5423891439928723
EOS-3-01881,CCc1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC)c(Cl)c4)n23)cn1,XIGKLKFZXWHSNV-UHFFFAOYSA-N,3,1,0.489,90,636,423.864,2.736,4,0.508,0.81,1.0,0.4862929202933315,0.49886916592419983,0.21826811047906244,0.15429031594818723,0.3394301281611952
EOS-3-01882,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4F)n23)cn1,RHWYRVSVYRTVJW-UHFFFAOYSA-N,3,1,0.349,61,336,429.419,2.148,5,0.465,0.8,1.0,0.26572030703858546,0.2770372147214036,0.20813343842094442,0.17319751901857308,0.23102211979987664
EOS-3-01883,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)nc2)n1,MVADXHYHBSFNBG-UHFFFAOYSA-N,3,1,0.315,74,295,456.445,2.075,6,0.426,0.82,1.0,0.20289048043314373,0.20566616407374408,0.05632753066959084,0.09951339867041327,0.14109939346172298
EOS-3-01884,COc1ncc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1F,UDZGOEAKLLBJBT-UHFFFAOYSA-N,3,1,0.472,63,536,420.404,3.019,5,0.511,0.86,1.0,0.6085772051264479,0.42305188129668975,0.25430059625796725,0.20958124871496128,0.37387773284901654
EOS-3-01885,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)cc1F,AVZTUFFJOQKVSE-UHFFFAOYSA-N,3,1,0.341,96,648,443.417,3.553,5,0.427,0.88,1.0,0.2758978137207868,0.27185422520731956,0.7218490850524296,0.6591905969433213,0.48219793023096424
EOS-3-01886,O=C(NCCF)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)nc1,PVNSJKZXZSKZNV-UHFFFAOYSA-N,3,1,0.354,66,505,427.39,2.809,4,0.487,0.76,0.951,0.1472997052977863,0.14688849290658626,0.512173600164485,0.4253049825234734,0.30791669522308274
EOS-3-01887,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c(F)c1,KAMVSKOHSAHDLP-UHFFFAOYSA-N,3,1,0.357,61,917,433.382,2.026,5,0.459,0.78,1.0,0.2734134055239531,0.24631622232883285,0.3947724624768693,0.42531354944829003,0.3349539099444863
EOS-3-01888,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)no2)n1C,CTYMWQSOIYAUIU-UHFFFAOYSA-N,3,1,0.314,52,295,441.455,2.442,6,0.44,0.87,1.0,0.1252655746693167,0.07665684325954356,0.011762387773284902,0.014880748406551984,0.057141388527174285
EOS-3-01889,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cc1,GAIUNQYVIFWQSO-UHFFFAOYSA-N,3,1,0.311,74,295,424.428,1.721,6,0.452,0.87,1.0,0.05904324583647454,0.03904804331437187,0.015840243986018777,0.029024741278870538,0.03573906860393393
EOS-3-01890,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5)ccn4)n23)cc1,MXWBFAREUZYYLM-UHFFFAOYSA-N,3,1,0.511,89,731,440.467,2.525,5,0.432,0.85,1.0,0.3479713522034131,0.17035329997943938,0.3498989102871633,0.1756990610650401,0.26098065588376396
EOS-3-01891,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(C#N)c5)n4)n23)cc1,QFVLMAXMJVCBIY-UHFFFAOYSA-N,3,1,0.361,29,704,433.435,2.542,5,0.457,0.8,1.0,0.2657288739634021,0.11238091974504832,0.32737646494414363,0.2593722157494346,0.24121461860050716
EOS-3-01892,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(Cc5cccc(F)c5)cn4)n23)cc1,PGFLBTXDVMQJPV-UHFFFAOYSA-N,3,1,0.426,62,139,425.427,3.077,5,0.463,0.85,1.0,0.1834178603248578,0.20125419779316017,0.5192241792886025,0.49360050716194914,0.34937418614214244
EOS-3-01893,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cc4)n23)cc1F,DLOADQMUDVWYHM-UHFFFAOYSA-N,3,1,0.381,52,916,466.48,3.265,6,0.409,0.9,1.0,0.257376122267151,0.21054074429442807,0.3384620656569118,0.4127201699677884,0.30477477554656984
EOS-3-01894,CN1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)cn2)CC1,HPPHCTICWRTUKP-UHFFFAOYSA-N,3,1,0.336,78,169,469.431,2.05,5,0.449,0.81,0.994,0.03182612569392091,0.06931498869165924,0.019061407717085876,0.05386025632239051,0.04351569460626414
EOS-3-01895,CC(=O)c1ncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,LECBTHCEPAGFBI-UHFFFAOYSA-N,3,1,0.394,63,806,430.428,1.65,5,0.434,0.83,1.0,0.2734219724487698,0.08689431841546158,0.009252278802001234,0.004369131656500582,0.09348442533068331
EOS-3-01896,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)n4)n23)cn1,VGNSHFRNGPEYEV-UHFFFAOYSA-N,3,1,0.333,74,331,441.43,2.465,6,0.445,0.84,0.978,0.035672674936604754,0.1663611130148722,0.07255328627235967,0.14915872798300323,0.10593645055170996
EOS-3-01897,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,KIBXFXCGZUBYTI-UHFFFAOYSA-N,3,1,0.324,52,295,438.455,1.936,6,0.441,0.83,1.0,0.11740970461243232,0.042826057158522376,0.022865122335686383,0.03719758755397163,0.055074617915153175
EOS-3-01898,COc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(Cl)c1,HIHDUKLXNXNXDO-UHFFFAOYSA-N,3,1,0.411,0,862,419.872,4.013,5,0.528,0.92,1.0,0.4711979987663628,0.48939414707696527,0.5048403125214174,0.5633524090192584,0.507196216846001
EOS-3-01899,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1F,JGQZFNODFMUCRB-UHFFFAOYSA-N,3,1,0.322,74,997,458.432,3.209,6,0.434,0.84,1.0,0.08038345555479405,0.23095572613254747,0.33494105955726133,0.4906020834761154,0.28422058118017957
EOS-3-01900,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(Cl)cc3F)n12,KTZJVFMASJDIPM-UHFFFAOYSA-N,3,1,0.385,0,646,435.89,4.375,5,0.505,0.81,0.998,0.2981718182441231,0.37112774998286613,0.5981855253238297,0.7110547597834281,0.4946349633335617
EOS-3-01901,CCc1c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)n23)cnnc1C,CLAYYDPECQDPFU-UHFFFAOYSA-N,3,1,0.324,63,306,433.903,3.665,5,0.515,0.79,1.0,0.14181687341511892,0.2562024535672675,0.10837159893084779,0.2067027619765609,0.17827342197244878
EOS-3-01902,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(C5CCCCC5)n4)n23)cn1,ODORWRNQAOPCGJ-UHFFFAOYSA-N,3,1,0.295,63,66,441.499,2.978,6,0.501,0.75,0.954,0.07008601192515934,0.02506682201357001,0.00015420464670002056,0.0008995271057501199,0.02405164142279487
EOS-3-01903,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)nc1,LETRPPSAIOHWPX-UHFFFAOYSA-N,3,1,0.302,82,100,452.453,3.342,6,0.435,0.88,0.747,0.18909773147830855,0.22592694126516347,0.32738503186896034,0.41897402508395587,0.290345932424097
EOS-3-01904,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)c5ccccc5)cn4)n23)cc1,BFEITSKBPLSJNM-UHFFFAOYSA-N,3,1,0.358,62,504,434.459,3.444,5,0.425,0.89,1.0,0.2872318552532383,0.13587999451716812,0.4530532520046604,0.3362260982797615,0.30309780001370706
EOS-3-01905,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nc1,VLSDSNJBTRCKAI-UHFFFAOYSA-N,3,1,0.324,52,776,452.453,3.342,6,0.435,0.85,1.0,0.1861592762661915,0.1917706120211089,0.2147642382290453,0.295130559934206,0.22195617161263792
EOS-3-01906,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnn(C)c5)c4)n23)cc1Cl,LKIJBNSHFLYMED-UHFFFAOYSA-N,3,1,0.333,82,859,444.886,3.267,5,0.456,0.83,1.0,0.17464532931258994,0.19177917894592558,0.5461671578370229,0.4875265574669317,0.3500295558906175
EOS-3-01907,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)n5)cc4)n23)cc1F,DNVSFQNIQSNYAA-UHFFFAOYSA-N,3,1,0.38,96,648,429.39,3.292,5,0.469,0.82,1.0,0.28168905489685425,0.22593550818998012,0.7321979302309642,0.7162463162223288,0.4890172023850319
EOS-3-01908,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnn4-c4ncc(F)cn4)n23)cc1,JJOPPUQDTZLJQL-UHFFFAOYSA-N,3,1,0.359,74,295,441.43,2.465,6,0.445,0.82,1.0,0.12527414159413336,0.12189020629154959,0.0681841546158591,0.11745253923651566,0.10820026043451443
EOS-3-01909,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)nc1,LNOGMMUKBFKQRY-UHFFFAOYSA-N,3,1,0.324,33,523,441.43,2.465,6,0.445,0.82,0.138,0.04458227674593928,0.13588856144198477,0.07256185319717634,0.14673428825988624,0.09994174491124666
EOS-3-01910,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4c(F)cncc4Cl)n23)c(F)c1,PPVJYISVHZDZCY-UHFFFAOYSA-N,3,1,0.406,63,9,454.868,3.795,5,0.479,0.79,1.0,0.3110222054691248,0.38531457747926806,0.49112466588993214,0.6650332396682886,0.4631236721266534
EOS-3-01911,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)cc4)n23)cc1,DZSPZHAWTTXNKD-UHFFFAOYSA-N,3,1,0.549,1,637,436.475,3.792,5,0.435,0.91,1.0,0.7002947022136934,0.2978205743266397,0.5822853128640944,0.435011308340758,0.5038529744362964
EOS-3-01912,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cc1,LXLLWNAKSKMGBP-UHFFFAOYSA-N,3,1,0.635,0,378,451.889,4.098,5,0.457,0.86,1.0,0.8368000822424783,0.516816873415119,0.5853951065725447,0.6797340826536906,0.6546865362209582
EOS-3-01913,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccs5)c4)n23)cc1,LTICCAIUPQAJEB-UHFFFAOYSA-N,3,1,0.327,74,246,427.493,3.598,6,0.463,0.89,1.0,0.05543657048865739,0.06932355561647591,0.13366116098965117,0.18411178123500788,0.11063326708244808
EOS-3-01914,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccc5F)c(F)c4)n23)cn1,HDALHLYKXNJCDK-UHFFFAOYSA-N,3,1,0.356,96,204,443.417,3.553,5,0.456,0.81,1.0,0.3162822973065588,0.287446028373655,0.6309968473716675,0.6033685148379138,0.4595234219724488
EOS-3-01915,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5nnn(C)n5)c4)n23)cc1,SEJWEWAZJMTOMH-UHFFFAOYSA-N,3,1,0.311,74,333,426.444,1.794,5,0.45,0.83,1.0,0.11469398944554862,0.03905661023918854,0.05820368720444109,0.03189466109245425,0.060962236995408134
EOS-3-01916,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)nc1,PBYUUYGMYYCAHY-UHFFFAOYSA-N,3,1,0.306,52,523,433.475,3.808,6,0.453,0.88,1.0,0.082499485984511,0.050219313275306696,0.19404941402234255,0.2833424713864711,0.15252767116715782
EOS-3-01917,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cn(C)nn5)cc4)n23)cc1,VAJGCRGHISBCFO-UHFFFAOYSA-N,3,1,0.404,62,740,438.495,2.732,5,0.437,0.84,1.0,0.12528270851895004,0.09929065862517991,0.23619011719553148,0.14412994311561922,0.15122335686382016
EOS-3-01918,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,RZRFZIADNQTYGX-UHFFFAOYSA-N,3,1,0.324,52,295,437.467,2.541,6,0.449,0.81,1.0,0.12826399835515043,0.02725995476663697,0.05633609759440751,0.07335001028030978,0.07130251524912617
EOS-3-01919,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)c(C#N)cc4F)n23)cc1,ORKVTQDZIJBIGP-UHFFFAOYSA-N,3,1,0.57,48,378,420.379,2.88,4,0.532,0.83,1.0,0.939783085463642,0.592557055719279,0.8939243369200192,0.8031577684874237,0.8073555616475909
EOS-3-01920,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)nn4)n23)cc1,CMNZVYNEBOIUDZ-UHFFFAOYSA-N,3,1,0.364,62,124,440.442,3.01,5,0.432,0.84,1.0,0.11985984510999931,0.06933212254129258,0.20097148927421013,0.18670755945445822,0.14421775409499005
EOS-3-01921,CC(C)(O)c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,JWKJERXNJOZPEO-UHFFFAOYSA-N,3,1,0.333,63,505,429.484,2.292,5,0.483,0.85,0.906,0.1666438215338222,0.10268316085258036,0.14909875950928655,0.08076040024672744,0.12479653553560414
EOS-3-01922,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5F)c4)n23)cc1F,QLDARUZCMQQGEZ-UHFFFAOYSA-N,3,1,0.327,61,246,457.444,3.814,6,0.434,0.87,1.0,0.07209923925707629,0.2259440751147968,0.522333972997053,0.6421681173326023,0.36563635117538207
EOS-3-01923,Cc1nc(-c2ncc(-c3nnc4cncc(-c5ccc(C(=O)NCC#N)cc5)n34)cn2)cs1,OLLOXSGVENKWIP-UHFFFAOYSA-N,3,1,0.311,74,333,453.491,2.934,5,0.401,0.88,1.0,0.14182544033993558,0.09307107120827908,0.14590329655266945,0.10157802755123022,0.12059445891302858
EOS-3-01924,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnn5)c4)n23)cc1,OCALLZXKOGLEOG-UHFFFAOYSA-N,3,1,0.467,89,707,439.439,1.977,5,0.421,0.83,1.0,0.5346360770337879,0.1791001302172572,0.239942430265232,0.13051709958193408,0.2710489342745528
EOS-3-01925,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nc1,RYTBFUDNIUBZOH-UHFFFAOYSA-N,3,1,0.448,63,457,423.864,2.606,4,0.455,0.85,1.0,0.42709546981015695,0.1963196490987595,0.1940579809471592,0.14916729490781988,0.24166009869097388
EOS-3-01926,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(Cl)nc3F)n12,MZGZEIFEZYLTFN-UHFFFAOYSA-N,3,1,0.324,0,999,422.851,3.846,5,0.505,0.85,1.0,0.26573744088821877,0.3275820711397437,0.4238571722294565,0.5403416489616887,0.38937958330477684
EOS-3-01927,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)c4)n23)cc1,QLTPVVPZQSRMOS-UHFFFAOYSA-N,3,1,0.549,89,637,437.463,3.187,5,0.435,0.86,1.0,0.6703361661298061,0.26140257693098484,0.4162154752929888,0.262584812555685,0.4026347577273661
EOS-3-01928,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cc1,UFTFTYWWITZUDE-UHFFFAOYSA-N,3,1,0.349,74,423,440.442,3.199,5,0.447,0.81,1.0,0.2278887670481804,0.18308375025700774,0.24344630251524912,0.1867161263792749,0.21028373654992805
EOS-3-01929,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C)nc4-c4ccccc4)n23)cc1,QIECORKLNHSWEA-UHFFFAOYSA-N,3,1,0.344,62,124,421.464,3.583,5,0.476,0.91,1.0,0.2113803029264615,0.08009218011102734,0.3237269549722432,0.2445942704406826,0.21494842711260367
EOS-3-01930,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C)nc4-c4ccc(F)cc4)n23)cc1,UMILKXMEGLSBHD-UHFFFAOYSA-N,3,1,0.388,62,139,439.454,3.722,5,0.458,0.85,1.0,0.19192481666780892,0.32292166403947636,0.4457199643615928,0.39379583304776916,0.3385905695291618
EOS-3-01931,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(C)c1,MIOQYWXTHFICMJ-UHFFFAOYSA-N,3,1,0.474,90,636,436.903,3.519,4,0.445,0.86,1.0,0.41755191556438903,0.30787814406140773,0.2763261599616202,0.20371290521554383,0.3013672812007402
EOS-3-01932,CCn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,XTKNOIVZXFFGQY-UHFFFAOYSA-N,3,1,0.324,52,295,451.494,3.024,6,0.422,0.88,1.0,0.11986841203481598,0.06166472483037489,0.03803714618600507,0.04739222808580632,0.06674062778425056
EOS-3-01933,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)cn1,GFZQYWBKUNSYHY-UHFFFAOYSA-N,3,1,0.374,63,5,421.411,3.002,5,0.514,0.81,1.0,0.15854807758207115,0.1791086971420739,0.30538516893975737,0.365250839558632,0.2520731958056336
EOS-3-01934,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)cc1,QBJJJTXEWBYSCJ-UHFFFAOYSA-N,3,1,0.346,0,901,473.443,2.803,5,0.446,0.88,1.0,0.31103077239394145,0.25621102049208416,0.3985333424713865,0.3967514221095196,0.3406316393667329
EOS-3-01935,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)cc1,YFBUHIQPNFMTCD-UHFFFAOYSA-N,3,1,0.366,62,341,451.465,3.947,6,0.435,0.9,0.998,0.24966588993214994,0.2562195874169008,0.5223425399218696,0.5884449318072784,0.4041682372695497
EOS-3-01936,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cn1,VGJXNGJMZPHBHP-UHFFFAOYSA-N,3,1,0.327,52,582,436.479,3.146,6,0.454,0.82,1.0,0.07210780618189294,0.025075388938386678,0.20098005619902679,0.20958981563977794,0.1269382667397711
EOS-3-01937,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)c(F)c1,MBYMSOGGUVQPNV-UHFFFAOYSA-N,3,1,0.422,66,455,458.379,2.617,5,0.458,0.76,1.0,0.22789733397299705,0.3760622986772668,0.42386573915427317,0.41272873689260503,0.3601385271742855
EOS-3-01938,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)c4)n23)cc1F,AULOOLHLOUDDKA-UHFFFAOYSA-N,3,1,0.341,62,648,425.427,3.414,5,0.474,0.85,1.0,0.2469930093893496,0.20567473099856076,0.5562932629703242,0.48474230690151465,0.3734258275649373
EOS-3-01939,CC#Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccn1,VCZRIZBLNKPREI-UHFFFAOYSA-N,3,1,0.506,63,536,424.464,3.029,5,0.478,0.88,1.0,0.4360050716194915,0.15860804605578782,0.3053937358645741,0.24746419025426633,0.28686776094852995
EOS-3-01940,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)cc1,YCQHGMRGBYLNAI-UHFFFAOYSA-N,3,1,0.34,74,450,447.409,2.429,5,0.425,0.82,1.0,0.009723459666917964,0.03906517716400521,0.48430539373586456,0.37159036392296624,0.2261710986224385
EOS-3-01941,COc1ccc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1,ZECYEIRSCJBAMH-UHFFFAOYSA-N,3,1,0.426,0,685,449.461,3.756,5,0.465,0.85,1.0,0.5318175587691042,0.47617538208484683,0.5494825577410732,0.5760314577479269,0.5333767390857378
EOS-3-01942,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)cn4)n23)cc1F,FOFVNANHBGSHTH-UHFFFAOYSA-N,3,1,0.33,52,523,452.453,3.342,6,0.435,0.83,1.0,0.14183400726475223,0.18309231718182442,0.20098862312384347,0.3012901788773902,0.20680128161195258
EOS-3-01943,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1F,MRHOHULTOSTCOE-UHFFFAOYSA-N,3,1,0.321,74,802,452.453,3.342,6,0.435,0.83,1.0,0.2388201631142485,0.21054931121924475,0.2290795695976972,0.29833458981563976,0.24419590843670758
EOS-3-01944,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnccn5)c4)n23)cc1,GMEWIQGPMFCODV-UHFFFAOYSA-N,3,1,0.441,14,319,441.882,3.591,5,0.446,0.83,1.0,0.25237303817421697,0.21549242683846206,0.6310054142964842,0.6130748406551985,0.4279864299910904
EOS-3-01945,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cccc(F)c4)n23)cc1F,ZLPSSQDKWGOCMY-UHFFFAOYSA-N,3,1,0.359,61,768,444.405,2.948,5,0.454,0.81,1.0,0.2816976218216709,0.2666883695428689,0.5223511068466863,0.5440168597080393,0.40368848947981634
EOS-3-01946,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)cn1,NSLKGNPIUZIGLM-UHFFFAOYSA-N,3,1,0.521,90,66,453.865,2.888,5,0.458,0.81,1.0,0.5798009046672606,0.4542012199300939,0.1744482900418066,0.280275512302104,0.3721814817353163
EOS-3-01947,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)c(F)c1,TXJUEMLYPFWUAN-UHFFFAOYSA-N,3,1,0.326,61,917,456.445,2.075,6,0.426,0.84,0.999,0.18616784319100815,0.2614111438558015,0.04555890617503941,0.09344801590021246,0.14664647728051539
EOS-3-01948,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4Cl)n23)cc1,ZAUXAYCKIADPHX-UHFFFAOYSA-N,3,1,0.506,63,536,455.305,3.964,5,0.443,0.89,1.0,0.6059814269069974,0.44971215132615994,0.4843139606606812,0.6066582139675142,0.5366664382153382
EOS-3-01949,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cn4)n23)cn1,DUGSCABVVVFEDO-UHFFFAOYSA-N,3,1,0.383,82,155,429.831,2.458,5,0.459,0.79,0.742,0.1640137756151052,0.17036186690425606,0.20446679459941058,0.22704920841614695,0.1914729113837297
EOS-3-01950,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(Cl)c(Cl)c4)n23)cc1,NEGMSBYFFHWNSU-UHFFFAOYSA-N,3,1,0.565,48,646,426.307,4.243,4,0.518,0.87,1.0,0.4040675759029539,0.45420978685491054,0.7660287163319854,0.7757264752244535,0.6000081385785758
EOS-3-01951,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(Cl)c5F)nc4)n23)cc1,LUOSZSSWQMFNJI-UHFFFAOYSA-N,3,1,0.435,96,648,445.845,3.807,5,0.45,0.84,1.0,0.3057878144061408,0.3322082105407443,0.7294479473648139,0.7295079158385306,0.5242379720375574
EOS-3-01952,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(Cl)nc3F)n12,ULYVWDUCKCIYHG-UHFFFAOYSA-N,3,1,0.375,0,437,438.85,3.547,5,0.479,0.83,1.0,0.447673223219793,0.4275238160509903,0.4162240422178055,0.4663833870193955,0.43945111712699614
EOS-3-01953,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccncn5)c4)n23)cc1,OBTKEYJDEUOFNP-UHFFFAOYSA-N,3,1,0.33,74,246,423.44,2.326,6,0.461,0.84,1.0,0.016791172640668907,0.01711671578370228,0.0953241724350627,0.11968850661366597,0.06223014186827497
EOS-3-01954,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnc5)cn4)n23)cc1,PYNPWBGBFJNYIH-UHFFFAOYSA-N,3,1,0.378,52,916,447.502,3.731,6,0.426,0.86,1.0,0.11470255637036529,0.039073744088821874,0.257710232335001,0.30129874580220684,0.17819631964909877
EOS-3-01955,CCOc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4OC)n23)cn1,QUGZUQDBVVYFIC-UHFFFAOYSA-N,3,1,0.36,63,437,431.456,2.548,5,0.475,0.83,0.996,0.11170413268453155,0.030035638407237338,0.0662137619080255,0.03963059420190528,0.06189603180042492
EOS-3-01956,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cn4)n23)c(F)c1,QVUQXONMHXCJEF-UHFFFAOYSA-N,3,1,0.361,0,175,463.448,2.536,5,0.499,0.73,1.0,0.10909122061544788,0.11854910561304914,0.07679391405661024,0.13957233911315195,0.11100164484956479
EOS-3-01957,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,KUTOQOSDBPYIID-UHFFFAOYSA-N,3,1,0.337,62,269,436.479,3.146,6,0.454,0.81,1.0,0.12265266260023303,0.027268521691453634,0.1369508601192516,0.16756904941402234,0.11361027345624015
EOS-3-01958,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)ccc5C)no4)n23)cc1,IZHBYMIEADGVIT-UHFFFAOYSA-N,3,1,0.37,62,837,429.415,3.315,5,0.466,0.84,1.0,0.25738468919196766,0.3078867109862244,0.34200877253101225,0.2802840792269207,0.29689106298403123
EOS-3-01959,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(OCCCF)cn4)n23)cn1,GHJRAKZNNSGAPB-UHFFFAOYSA-N,3,1,0.326,63,66,434.435,2.274,5,0.42,0.89,0.998,0.3210540744294428,0.18310088410664108,0.013895552052635186,0.025315262833253374,0.13584144335549309
EOS-3-01960,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5F)nn4)n23)cc1,WELPWHSQDXGCBX-UHFFFAOYSA-N,3,1,0.38,61,124,441.43,2.594,5,0.441,0.79,1.0,0.24967445685696663,0.30789527791104104,0.13366972791446782,0.15180590775135358,0.21076134260845727
EOS-3-01961,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cc1F,HGUYNFUVVYBXEY-UHFFFAOYSA-N,3,1,0.54,23,721,455.852,4.194,5,0.471,0.85,1.0,0.8007675964635734,0.6299174148447674,0.7703892810636694,0.8511668151600301,0.7630602768830101
EOS-3-01962,Cn1cnnc1-c1cc(F)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,XSUWGHPTNNHMHI-UHFFFAOYSA-N,3,1,0.296,52,523,455.457,2.68,6,0.433,0.82,1.0,0.10673531629086423,0.18310945103145776,0.11688712219861558,0.18412034815982456,0.14771305942019053
EOS-3-01963,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(C(F)(F)F)c4)n23)nc1,VPGJPLBTYVBPMZ-UHFFFAOYSA-N,3,1,0.433,68,457,446.364,3.283,4,0.473,0.78,1.0,0.7809351655129875,0.5878795147693784,0.9619114522650949,0.8851946405318347,0.8039801932698238
EOS-3-01964,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnn5)nc4)n23)cc1)N1CCCC1,PEAKAKZIUHPEKD-UHFFFAOYSA-N,3,1,0.351,52,376,449.478,2.941,6,0.411,0.86,1.0,0.052181139058323625,0.006476595161400864,0.005499965732300733,0.025323829758070043,0.022370382427523816
EOS-3-01965,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1F,IGNPWEGOVXCUNY-UHFFFAOYSA-N,3,1,0.354,63,999,417.404,1.984,5,0.511,0.88,1.0,0.2657460078130354,0.22062401480364607,0.15219998629292028,0.17869748475087383,0.2043168734151189
EOS-3-01966,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(Cc5ccccc5)n4)n23)cc1,IKIHXLJGZZXNIW-UHFFFAOYSA-N,3,1,0.326,62,704,422.452,2.594,5,0.463,0.86,0.999,0.2113888698512782,0.06934068946610925,0.1491073264341032,0.11274929751216503,0.1356465458159139
EOS-3-01967,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(C#N)cn4)n23)cc1,DOUHUMMNIUVZOS-UHFFFAOYSA-N,3,1,0.349,62,139,432.447,3.147,5,0.463,0.82,1.0,0.19732197930230963,0.11531937495716538,0.4979439380439997,0.4029196079775204,0.3033762250702488
EOS-3-01968,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5ncccc5C)c4)n23)cc1,LFIVMBBRKVWKRA-UHFFFAOYSA-N,3,1,0.376,62,357,435.491,3.507,5,0.454,0.83,1.0,0.1585566445068878,0.06934925639092591,0.39478102940168597,0.25938078267425124,0.22051692824343774
EOS-3-01969,COCc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ncc1F,RXTDFYISFDFPDS-UHFFFAOYSA-N,3,1,0.305,63,108,420.408,1.821,5,0.502,0.84,1.0,0.2305188129668974,0.17911726406689055,0.024809814269069974,0.03838839010348845,0.11820857035158659
EOS-3-01970,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)c4)n23)cn1,CQXACGQMCXWCAD-UHFFFAOYSA-N,3,1,0.326,82,204,434.463,3.203,6,0.452,0.81,1.0,0.15048660132958674,0.033119731341237746,0.09307107120827908,0.1395809060379686,0.10406457747926803
EOS-3-01971,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,NJABZFSWHNEUSH-UHFFFAOYSA-N,3,1,0.556,0,536,450.93,3.99,4,0.446,0.9,1.0,0.6853882530326914,0.4408453841409088,0.41623260914262217,0.22114659721746283,0.44090321088342127
EOS-3-01972,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)cs4)n23)cc1,BENUOCJVVQMJBQ-UHFFFAOYSA-N,3,1,0.411,62,3,430.468,4.081,5,0.464,0.89,1.0,0.14454972243163594,0.28217736961140427,0.48795490370776506,0.45695120279624424,0.3429082996367624
EOS-3-01973,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)cn1,BMLSZLGVAHGUOP-UHFFFAOYSA-N,3,1,0.457,63,555,423.383,2.331,5,0.474,0.86,1.0,0.5012679048728669,0.31820128846549245,0.2506939209101501,0.31103077239394145,0.34529847166061267
EOS-3-01974,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cc1,CFYQDINFBCHNCZ-UHFFFAOYSA-N,3,1,0.373,62,331,430.859,3.052,5,0.47,0.81,1.0,0.04459084367075595,0.17503940785415667,0.39854190939620315,0.4127373038174217,0.2577273661846343
EOS-3-01975,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)cc1,BOBHYZONQKYEMB-UHFFFAOYSA-N,3,1,0.317,52,582,435.451,2.598,6,0.447,0.81,1.0,0.1312024535672675,0.020577753409636076,0.11961997121513261,0.1571002672880543,0.10712511137002262
EOS-3-01976,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(OC(F)F)cn4)n23)cc1,LTMRGWLHEMVOJK-UHFFFAOYSA-N,3,1,0.612,63,536,452.421,3.259,5,0.438,0.86,1.0,0.5887019395517785,0.4761839490096635,0.5494911246658899,0.49682167089301627,0.5277996710300871
EOS-3-01977,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)nc1,HEAPCDLMBYWASJ-UHFFFAOYSA-N,3,1,0.264,33,432,424.428,1.721,6,0.452,0.85,0.999,0.014212528270851895,0.025083955863203344,0.043836954286889177,0.06122781166472483,0.03609031252141731
EOS-3-01978,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nnn(-c5cncc(F)c5)n4)n23)cc1,NIIOMMCGVCYNOP-UHFFFAOYSA-N,3,1,0.336,74,295,442.418,1.86,6,0.437,0.82,1.0,0.11741827153724899,0.13589712836680146,0.03669213898978822,0.08583201973819478,0.09395988965800836
EOS-3-01979,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(Cl)c4)n23)nc1,BWIHPTKFSAGHGR-UHFFFAOYSA-N,3,1,0.404,63,108,456.293,3.359,5,0.444,0.85,1.0,0.44066547871975875,0.3129668974025084,0.2686587622507025,0.4094733054622713,0.3579411109588102
EOS-3-01980,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cccc(F)c5)n4)n23)nc1,FHERSZFSAWBJTJ-UHFFFAOYSA-N,3,1,0.382,44,348,456.441,2.721,5,0.414,0.84,1.0,0.4812384346514975,0.32759063806456035,0.2722226029744363,0.21565519840997877,0.32417671852511826
EOS-3-01981,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccc(F)cn5)cn4)n23)cc1,ICRFWGYBYGTEST-UHFFFAOYSA-N,3,1,0.363,74,453,452.453,3.342,6,0.435,0.85,1.0,0.24968302378178328,0.17912583099170723,0.2182766774038791,0.2891594133369886,0.23406123637858955
EOS-3-01982,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,HCYWMGXDURZXAU-UHFFFAOYSA-N,3,1,0.376,61,269,454.469,3.285,6,0.437,0.85,1.0,0.24969159070659996,0.25129360564731684,0.2577187992598177,0.33291926530052773,0.27290581522856555
EOS-3-01983,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncn5C)c(F)c4)n23)cn1,LHPQAOLPWKEJJT-UHFFFAOYSA-N,3,1,0.349,82,204,428.431,2.753,5,0.472,0.8,0.999,0.31378075526009186,0.2562281543417175,0.41982215064080597,0.3392416558152286,0.33226817901446093
EOS-3-01984,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cnc(F)c(C)c5)n4)n23)cc1,GOZHAGBMGOTWTF-UHFFFAOYSA-N,3,1,0.352,29,849,441.43,2.512,5,0.422,0.81,0.986,0.254746076348434,0.20126276471797683,0.2219518881502296,0.14181687341511892,0.20494440065793984
EOS-3-01985,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1,WRBXFIOOADOMHN-UHFFFAOYSA-N,3,1,0.315,61,917,438.455,1.936,6,0.441,0.82,1.0,0.10427660886848057,0.08010074703584401,0.018196148310602425,0.0329997943938044,0.05889332465218285
EOS-3-01986,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(CC(F)F)nc4)n23)cn1,HIQWFAYWXJSMHZ-UHFFFAOYSA-N,3,1,0.357,63,66,421.411,2.948,5,0.514,0.83,1.0,0.27590638064560347,0.2105578781440614,0.27633472688643684,0.33925022274004524,0.27551230210403677
EOS-3-01987,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)nn1,QCPTVJUTRGNHSF-UHFFFAOYSA-N,3,1,0.314,52,582,449.478,2.906,6,0.434,0.83,1.0,0.09916215475292989,0.033128298266054415,0.07899561373449386,0.09547837708176272,0.07669111095881022
EOS-3-01988,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-n5ccnn5)c4)n23)cc1,PCGFJLKJPRNFID-UHFFFAOYSA-N,3,1,0.505,89,656,441.455,2.096,5,0.407,0.84,1.0,0.24700157631416628,0.08690288534027825,0.1871958741690083,0.09154615859091221,0.15316162360359126
EOS-3-01989,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)cn1,XRBGVBDILHPJDH-UHFFFAOYSA-N,3,1,0.282,52,432,437.467,2.541,6,0.449,0.81,1.0,0.06082516619834144,0.06578541566719211,0.0837759577821945,0.0954869440065794,0.07646837091357686
EOS-3-01990,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cc(Cl)cc(Cl)c4)n23)nc1,FVIKCNXUAPFKSI-UHFFFAOYSA-N,3,1,0.411,90,505,427.295,3.638,4,0.526,0.77,1.0,0.19454629566170928,0.21550099376327872,0.504848879446234,0.5729730655883764,0.37196730861489957
EOS-3-01991,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)cn4)n23)cn1,FSNZBVBOBATTKZ-UHFFFAOYSA-N,3,1,0.361,82,155,443.858,2.718,5,0.449,0.8,1.0,0.2759149475704201,0.22595264203961346,0.16465629497635528,0.15429888287300392,0.20520569186484816
EOS-3-01992,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cnc(F)cn5)ccn4)n23)cc1,MAXPEGLBKCJXBO-UHFFFAOYSA-N,3,1,0.383,14,357,440.442,2.733,5,0.447,0.77,1.0,0.26817044753615243,0.18750428346240833,0.3985504763210198,0.28916798026180524,0.28584829689534647
EOS-3-01993,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cc1Cl,GCDVNPVRUVOUNL-UHFFFAOYSA-N,3,1,0.343,61,917,463.864,2.801,5,0.435,0.83,1.0,0.34797991912822973,0.3569323555616476,0.39103728325680215,0.43781269275580836,0.38344056267562193
EOS-3-01994,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nncnn5)nc4)n23)cc1,DQRXYKNGAHFEOP-UHFFFAOYSA-N,3,1,0.362,52,916,450.466,1.916,6,0.411,0.81,0.999,0.11987697895963265,0.03615242272633815,0.04234630936878898,0.0612363785895415,0.06490302241107532
EOS-3-01995,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)n1,NKNJHQWRWGXSOC-UHFFFAOYSA-N,3,1,0.276,33,432,439.443,1.331,6,0.429,0.83,0.871,0.09188026865876225,0.04659550407785621,0.008703995613734495,0.010066136659584675,0.039311476252484406
EOS-3-01996,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cc1,PKJRPNOGYPRZRC-UHFFFAOYSA-N,3,1,0.35,74,139,440.442,3.199,5,0.447,0.81,1.0,0.29269755328627234,0.19178774587074224,0.30171852511822356,0.23007333287643067,0.25406928928791717
EOS-3-01997,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cn5)c4)n23)nc1,DGFAJJYGQCYBRE-UHFFFAOYSA-N,3,1,0.291,33,432,441.43,2.465,6,0.445,0.81,0.987,0.03568124186142142,0.11855767253786581,0.11089884175176479,0.17570762798985676,0.1102113460352272
EOS-3-01998,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,GSJUKTAPWQLWHZ-UHFFFAOYSA-N,3,1,0.533,63,536,448.914,3.662,5,0.433,0.88,1.0,0.4789767664998972,0.327599204989377,0.2577273661846344,0.30787814406140773,0.3430453704338291
EOS-3-01999,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)nc1,DEQXHZYNKAWFSE-UHFFFAOYSA-N,3,1,0.341,0,825,413.441,2.188,5,0.548,0.92,1.0,0.029375985196353916,0.0019104242341169214,0.00277568364060037,0.00582550887533411,0.009971900486601331
EOS-3-02000,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)nc1,YNENXFJPAIQWBJ-UHFFFAOYSA-N,3,1,0.306,62,523,442.87,3.323,5,0.454,0.81,1.0,0.1919333835926256,0.187512850387225,0.38381536563635116,0.3715989308477829,0.2837151326159962
EOS-3-02001,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cncnc5)c4)n23)cc1F,QZBLCPRKGIKZNQ-UHFFFAOYSA-N,3,1,0.333,82,859,426.415,2.809,5,0.47,0.82,1.0,0.23052737989171407,0.20568329792337742,0.5761856623946269,0.4999828661503667,0.3780948015900213
EOS-3-02002,O=C(c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)cc1F)N1CCOCC1,ZFUPVYSNBOJDHH-UHFFFAOYSA-N,3,1,0.468,66,751,468.439,3.326,5,0.447,0.85,0.938,0.1504951682544034,0.16636967993968885,0.197441916249743,0.3392587896648619,0.2133913885271743
EOS-3-02003,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1C#N,OBWQWYNNKIHZRF-UHFFFAOYSA-N,3,1,0.354,0,862,437.463,2.582,5,0.494,0.76,1.0,0.2681790144609691,0.12558255088753342,0.2798043314371873,0.24747275717908299,0.2302596634911932
EOS-3-02004,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cc1F,OZMXVBXMYVKGCW-UHFFFAOYSA-N,3,1,0.298,52,523,452.453,3.342,6,0.435,0.83,1.0,0.13658248235213488,0.15861661298060448,0.2836937153039545,0.3652594064834487,0.23603805428003563
EOS-3-02005,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)c(C)c5)n4)n23)cc1,AALJJVCGMFDIRW-UHFFFAOYSA-N,3,1,0.356,29,704,456.897,3.632,5,0.439,0.86,1.0,0.2629874580220684,0.3182098553903091,0.3910458501816188,0.3521091768898636,0.331088085120965
EOS-3-02006,O=C(c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc1)N1CCOCC1,HSMAZXGAGCTQLT-UHFFFAOYSA-N,3,1,0.648,0,751,452.421,2.516,5,0.43,0.88,1.0,0.3546878212596806,0.01422966212048523,0.08859913645397847,0.17870605167569048,0.1590556678774587
EOS-3-02007,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)c(F)c1,OZAIRORESSOZPR-UHFFFAOYSA-N,3,1,0.381,96,274,430.378,2.687,5,0.465,0.78,0.996,0.21949318072784593,0.26669693646768555,0.5854036734973613,0.5369234459598382,0.4021293091631828
EOS-3-02008,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nn4)n23)cc1Cl,MJYBWJPXNHMIIJ-UHFFFAOYSA-N,3,1,0.412,0,546,478.9,1.734,5,0.469,0.86,1.0,0.11171269960934822,0.09929922554999657,0.0036066753478171476,0.009689191967651292,0.05607694811870331
EOS-3-02009,CCc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NCCOC)c(F)c4)n23)cn1,OQJZVOOOVCHZEF-UHFFFAOYSA-N,3,1,0.371,63,5,435.463,2.25,4,0.423,0.8,1.0,0.20858748543622782,0.16254026454663834,0.13076554040161745,0.07908984990747721,0.1452457850729902
EOS-3-02010,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)ns4)n23)cc1,CTQLFRXSBDGFER-UHFFFAOYSA-N,3,1,0.348,62,302,439.504,3.869,6,0.446,0.89,1.0,0.1252912754437667,0.07307586868617641,0.060148379137824684,0.11969707353848262,0.0945531492015626
EOS-3-02011,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)cc4F)n23)cc1F,JRZQNOGQRHUQEC-UHFFFAOYSA-N,3,1,0.341,61,648,445.433,3.497,5,0.457,0.81,1.0,0.3235898841751765,0.2513021725721335,0.7037129052155439,0.6333955863203344,0.4780001370707971
EOS-3-02012,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,QYJLFUJVEWCZTC-UHFFFAOYSA-N,3,1,0.671,0,378,442.454,3.316,5,0.471,0.82,1.0,0.7638527174285519,0.427532382975807,0.5761942293194435,0.5824652182852443,0.5875111370022617
EOS-3-02013,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1OC,BJPPCCBRHRRCPX-UHFFFAOYSA-N,3,1,0.527,90,636,443.916,3.496,4,0.47,0.84,1.0,0.6399235830306353,0.4894027140017819,0.3610102117743815,0.2329346857651977,0.4308177986429991
EOS-3-02014,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5)n4)n23)cc1F,YADIWJTXKIRGKP-UHFFFAOYSA-N,3,1,0.35,22,990,433.382,2.072,5,0.461,0.79,1.0,0.11471112329518196,0.23096429305736413,0.2944452059488726,0.3296038653964773,0.24243112192447397
EOS-3-02015,O=C(c1ccc(-c2nnc3cncc(Cc4c(Cl)cccc4Cl)n23)cc1)N1CCOCC1,PWKPRKOTUORRRW-UHFFFAOYSA-N,3,1,0.538,0,751,468.344,4.161,5,0.45,0.91,1.0,0.11988554588444932,0.13222191762045096,0.12789562058803372,0.4253221163731067,0.20133130011651018
EOS-3-02016,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1F,YMLWZFUVJUGLMF-UHFFFAOYSA-N,3,1,0.573,90,133,444.829,3.099,4,0.459,0.77,1.0,0.766816873415119,0.5722020423548763,0.7397368240696319,0.6884209444177918,0.6917941710643547
EOS-3-02017,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)no1,IXBFXHNLUIHDBN-UHFFFAOYSA-N,3,1,0.37,52,916,452.478,3.028,6,0.417,0.88,1.0,0.13121102049208416,0.07308443561099308,0.04879720375573984,0.05536803509012405,0.0771151737372353
EOS-3-02018,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc(C)s5)cc4F)n23)cc1,CKJUWTZHJLOCIS-UHFFFAOYSA-N,3,1,0.381,62,124,445.483,3.784,5,0.452,0.84,1.0,0.1891062984031252,0.24125316976218217,0.38382393256116787,0.31103933931875816,0.28130568501130837
EOS-3-02019,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnc(F)c5)cn4)n23)cc1,HHFOYCYOOFFYEC-UHFFFAOYSA-N,3,1,0.359,74,453,452.453,3.342,6,0.407,0.9,1.0,0.20859605236104448,0.18752141731204167,0.2614197107806182,0.32315297100952645,0.2451725378658077
EOS-3-02020,CC(F)(F)c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)ccn1,FNMSSVFMPOANEI-UHFFFAOYSA-N,3,1,0.478,63,66,451.437,3.164,5,0.46,0.83,1.0,0.46873072441916247,0.37113631690768284,0.45306181892947706,0.3362346652045782,0.4072908813652252
EOS-3-02021,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnncn5)n4)n23)cc1,NPLPRJYTUINEFM-UHFFFAOYSA-N,3,1,0.317,52,423,435.451,2.598,6,0.447,0.79,1.0,0.15050373517922006,0.01865876225070249,0.09307963813309575,0.12845247070111712,0.09767365156603386
EOS-3-02022,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cc1F,YBJJZPNXEGEMOY-UHFFFAOYSA-N,3,1,0.595,66,12,460.391,3.673,4,0.442,0.87,1.0,0.797812007401823,0.6739342745528065,0.9304708381879241,0.7874031937495717,0.7974050784730313
EOS-3-02023,Cc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,OSRNGAWIPLBDMA-UHFFFAOYSA-N,3,1,0.327,29,849,449.478,2.906,6,0.434,0.81,1.0,0.16940237132478925,0.050227880200123365,0.05821225412925776,0.06595675416352546,0.08594981495442396
EOS-3-02024,Cn1cnnc1-c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,ZNARRGGOEWAXJC-UHFFFAOYSA-N,3,1,0.363,52,916,451.494,2.465,6,0.422,0.83,1.0,0.1226612295250497,0.03616098965115482,0.05262661914879035,0.06596532108834213,0.06935353985333426
EOS-3-02025,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)nn4)n23)nc1,HICAEXJWFNPVLS-UHFFFAOYSA-N,3,1,0.302,63,546,415.417,0.849,5,0.519,0.9,1.0,0.05726132547460763,0.009989034336234666,0.0005996847371667467,0.0002655746693167021,0.017028904804331436
EOS-3-02026,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nc5)nc4)n23)cc1,WXYBNCLPEFTHKO-UHFFFAOYSA-N,3,1,0.412,62,319,439.454,3.338,5,0.422,0.83,1.0,0.22790590089781373,0.2012713316427935,0.5790641491330272,0.46009526420396135,0.36708416146939893
EOS-3-02027,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(F)cn5)cc4)n23)cc1,UUHLYJXUCREZHB-UHFFFAOYSA-N,3,1,0.419,62,319,425.427,3.077,5,0.463,0.82,1.0,0.26818758138578574,0.17913439791652389,0.5885391679802618,0.5035467068741005,0.38485196353916806
EOS-3-02028,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnnc(Cl)c5)c4)n23)cc1,YLXYOWHOFRDPNG-UHFFFAOYSA-N,3,1,0.369,74,859,442.87,3.323,5,0.454,0.8,1.0,0.1891148653279419,0.17914296484134054,0.5393393187581386,0.4906106504009321,0.34955194983208826
EOS-3-02029,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cn4)n23)c(F)c1,AVDFSWCSBWBVBP-UHFFFAOYSA-N,3,1,0.4,14,357,440.442,2.733,5,0.447,0.78,1.0,0.20564046329929409,0.24126173668699882,0.4056010554451374,0.32961243232129395,0.29552892193818103
EOS-3-02030,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5nccnc5Cl)c4)n23)cc1,PPUQMNIKJFUDCK-UHFFFAOYSA-N,3,1,0.394,14,357,442.87,2.986,5,0.443,0.81,0.991,0.24970015763141662,0.18311801795627441,0.33847063258172844,0.3231615379343431,0.27361258652594067
EOS-3-02031,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)nc1,FVRRDQINKRFVLE-UHFFFAOYSA-N,3,1,0.43,90,457,427.827,2.355,4,0.503,0.71,1.0,0.46646048934274553,0.31821842231512576,0.3536597902816805,0.3078867109862244,0.3615563532314441
EOS-3-02032,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cncc(CF)n5)c4)n23)cc1,BMQSLZVMLXWGLJ-UHFFFAOYSA-N,3,1,0.347,82,738,440.442,3.139,5,0.447,0.82,1.0,0.20032040298814338,0.09307963813309575,0.40197724624768694,0.3013073127270235,0.2491711500239874
EOS-3-02033,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)c(F)c1,OBWURHNVFXKDPL-UHFFFAOYSA-N,3,1,0.394,96,139,425.427,3.414,5,0.474,0.83,1.0,0.25475464327325065,0.27186279213213627,0.6134774861215818,0.5304468507984373,0.4176354430813516
EOS-3-02034,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc(C(F)(F)F)o4)n23)cc1,MLHUSJPLQICTQO-UHFFFAOYSA-N,3,1,0.607,66,12,432.362,2.779,4,0.499,0.75,1.0,0.7311099307792475,0.5535432801041738,0.6823641285724077,0.3812024535672675,0.5870549482557741
EOS-3-02035,Cc1ncc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cn1,KBXFSCHRDSPWOI-UHFFFAOYSA-N,3,1,0.406,63,9,417.448,2.706,5,0.518,0.85,0.99,0.20289904735796038,0.25131073949695015,0.09799705297786307,0.1395894729627853,0.17294907819888972
EOS-3-02036,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)cn1,BOPBRWQPVPDNAI-UHFFFAOYSA-N,3,1,0.366,62,341,453.481,3.89,6,0.436,0.87,1.0,0.18912343225275854,0.2155095606880954,0.49430299499691593,0.5266260023302035,0.35639049756699337
EOS-3-02037,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cc4F)n23)cn1,VDCITXVTBJRZHU-UHFFFAOYSA-N,3,1,0.386,82,478,430.378,2.687,5,0.465,0.77,0.991,0.2573932561167843,0.2562367212665342,0.5359639503803715,0.5202522102666027,0.3924615345075732
EOS-3-02038,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccnn5)n4)n23)cc1F,DQQYSXIVTKEQNW-UHFFFAOYSA-N,3,1,0.347,76,423,426.415,2.809,5,0.47,0.8,1.0,0.2332345281337811,0.22063258172846276,0.3762679048728668,0.3296209992461106,0.2899390034953053
EOS-3-02039,O=CCc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccc1F,IBVKLLXMVOMWLR-UHFFFAOYSA-N,3,1,0.432,63,683,446.442,2.538,5,0.414,0.87,0.736,0.4021143170447536,0.15089781372078678,0.28735179220067164,0.29513912685902266,0.28387576245630863
EOS-3-02040,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,BFMUUNKUKFKYOL-UHFFFAOYSA-N,3,1,0.306,74,295,455.457,2.68,6,0.433,0.81,1.0,0.2195017476526626,0.17915153176615722,0.11689568912343225,0.17030189843053936,0.17146271674319785
EOS-3-02041,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)c(Cl)c1,OFLWRWVLLBMNFI-UHFFFAOYSA-N,3,1,0.429,66,225,428.83,3.728,4,0.523,0.73,1.0,0.28170618874648756,0.3853231444040847,0.8513981221300801,0.8031663354122405,0.5803984476732232
EOS-3-02042,O=C(c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)nc1)N1CC(F)C1,BRJDDXZAASCNIP-UHFFFAOYSA-N,3,1,0.305,66,542,444.352,2.456,5,0.448,0.81,0.985,0.21951031457747927,0.2614197107806182,0.4387293537111918,0.44434925639092593,0.3410021588650538
EOS-3-02043,Cn1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)n2)n1,ASVDLLVDJJNKMG-UHFFFAOYSA-N,3,1,0.33,52,423,454.469,3.285,6,0.437,0.81,1.0,0.13372112946336784,0.1917963127955589,0.20099719004866012,0.2566307998081009,0.19578635802892194
EOS-3-02044,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cnn2)o1,VKDGRIOAXGCIDR-UHFFFAOYSA-N,3,1,0.33,52,295,439.439,2.499,6,0.438,0.82,1.0,0.15051230210403674,0.033136865190871084,0.03269138510040436,0.04459084367075595,0.06523284901651703
EOS-3-02045,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cc(C)n4)n23)cc1F,PVQUSBCORSXQHA-UHFFFAOYSA-N,3,1,0.327,74,768,440.442,3.117,5,0.457,0.8,1.0,0.18913199917757523,0.19632821602357617,0.5086697279144679,0.4060294016859708,0.3250398362003975
EOS-3-02046,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncs5)cc4)n23)cn1,AJRABGSTCUYNJA-UHFFFAOYSA-N,3,1,0.391,14,357,427.493,3.26,5,0.462,0.85,1.0,0.14730827222260298,0.10594715920773079,0.25070248783496674,0.18672469330409155,0.17267065314234803
EOS-3-02047,O=C(c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccncc4)n23)nc1)N1CCC1,NNDLGHFGCUHCOL-UHFFFAOYSA-N,3,1,0.295,33,821,435.451,2.551,6,0.423,0.86,0.935,0.07009457884997601,0.010922829141251457,0.0036152422726338155,0.011950860119251594,0.024145877595778218
EOS-3-02048,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)cn1,KYUDRJHDFZUHCN-UHFFFAOYSA-N,3,1,0.447,89,433,438.451,2.582,5,0.43,0.85,1.0,0.5602083476115414,0.2412703036118155,0.2543091631827839,0.16503323966828867,0.3052052635186074
EOS-3-02049,Cn1nncc1-c1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,BEEFDXORSIGHRO-UHFFFAOYSA-N,3,1,0.32,74,295,438.455,1.936,6,0.441,0.83,1.0,0.08039202247961072,0.027277088616270304,0.025837845247070113,0.03517579329723802,0.042170687410047286
EOS-3-02050,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Br)c(F)c4)n23)cc1F,IAHHVYKILFXRCU-UHFFFAOYSA-N,3,1,0.394,0,188,470.277,4.391,5,0.48,0.89,1.0,0.3914656294976355,0.4275409499006237,0.7496487560825166,0.8475430059625797,0.6040495853608389
EOS-3-02051,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1,NMMNQFFMBCOGMR-UHFFFAOYSA-N,3,1,0.635,63,536,418.432,2.839,5,0.496,0.88,1.0,0.5421321362483723,0.21551812761291206,0.26142827770543486,0.3047426495785073,0.3309552977863066
EOS-3-02052,OCc1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)c(Cl)c5)n4)n23)cc1,KPTBKIJFSZJXLE-UHFFFAOYSA-N,3,1,0.37,29,704,433.834,3.595,5,0.462,0.83,1.0,0.46406175039407854,0.6592848331163046,0.7682389829346857,0.809600095949558,0.6752964155986567
EOS-3-02053,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)cn1,OUVBJOVEBMBVDR-UHFFFAOYSA-N,3,1,0.322,82,974,449.478,2.906,6,0.434,0.83,0.999,0.09917072167774656,0.050236447124940034,0.05634466451922418,0.06773867452539237,0.06837262696182578
EOS-3-02054,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(C(F)(F)c3cccc(F)c3)n12,GQZRPQZPLFSUIV-UHFFFAOYSA-N,3,1,0.45,0,264,437.425,4.271,5,0.506,0.81,0.999,0.257401823041601,0.38533171132890137,0.9236001644849565,0.9035021588650538,0.6174589644301282
EOS-3-02055,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)no4)n23)cc1,ZSIIAQOKDGPIJJ-UHFFFAOYSA-N,3,1,0.348,62,302,423.436,3.401,6,0.461,0.91,1.0,0.1973305462271263,0.09308820505791242,0.07900418065931053,0.13052566650675074,0.124987149612775
EOS-3-02056,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)cc5)n4)n23)cc1,HHQNXYYIXBLONY-UHFFFAOYSA-N,3,1,0.367,29,704,452.453,3.342,6,0.435,0.84,1.0,0.289947570420122,0.3079038448358577,0.19745048317455965,0.2891765471866219,0.2711196114042903
EOS-3-02057,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)nc2)n1,BTJXPERYYZIAHK-UHFFFAOYSA-N,3,1,0.312,74,918,457.433,1.47,6,0.415,0.82,1.0,0.11172126653416489,0.17037043382907271,0.018204715235419094,0.03613528887670482,0.08410792611884038
EOS-3-02058,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)cc4)n23)cc1,IQORQWMRHWYCNB-UHFFFAOYSA-N,3,1,0.582,89,402,441.455,1.92,5,0.424,0.88,1.0,0.49127887053663216,0.20127989856761017,0.1582653690631211,0.08584058666301145,0.2341661812075937
EOS-3-02059,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccsc5)c4)n23)cc1,IUUQDSDDSSQVNE-UHFFFAOYSA-N,3,1,0.33,74,246,427.493,3.598,6,0.463,0.86,1.0,0.04312589952710575,0.033145432115687753,0.17089301624288944,0.22115516414227948,0.1170798780069906
EOS-3-02060,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnnc5)cn4)n23)c(F)c1,ZPMHIHDDDYJITC-UHFFFAOYSA-N,3,1,0.356,74,453,453.441,2.737,6,0.431,0.83,1.0,0.10909978754026455,0.2056918648481941,0.18720444109382495,0.2593893495990679,0.19034636077033787
EOS-3-02061,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4F)n23)cc1,OXXJLKXQWLEHER-UHFFFAOYSA-N,3,1,0.378,62,3,424.439,4.019,5,0.471,0.9,1.0,0.2817147556713042,0.2718713590569529,0.726946405318347,0.6563720786786376,0.4842261496813104
EOS-3-02062,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)nc4)n23)cc1,VUJGSOBOVIVVGA-UHFFFAOYSA-N,3,1,0.406,62,3,424.439,4.019,5,0.471,0.9,1.0,0.2221146597217463,0.25624528819135084,0.7294565142896305,0.6737629360564732,0.4703948495648002
EOS-3-02063,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,ZIJJUORAVAYVND-UHFFFAOYSA-N,3,1,0.333,62,269,436.479,3.146,6,0.454,0.83,1.0,0.1282725652799671,0.03616955657597149,0.17757521759989034,0.21829381125351244,0.14007778767733534
EOS-3-02064,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccnc5F)c4)n23)nc1,FWGMKGONZIFFEJ-UHFFFAOYSA-N,3,1,0.288,33,432,441.43,2.465,6,0.417,0.84,0.999,0.029384552121170585,0.13223048454526762,0.11690425604824892,0.17031046535535604,0.11220743951751079
EOS-3-02065,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5nc(C)ncc5C)nc4)n23)cc1,KIEHXJOWBHODHR-UHFFFAOYSA-N,3,1,0.329,74,333,437.467,2.682,5,0.455,0.78,1.0,0.19194195051744226,0.03908231101363854,0.09800561990267974,0.043331505722705776,0.09309034678911658
EOS-3-02066,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC(F)F)cc4)n23)cn1,RDYLKRRMNFKYDP-UHFFFAOYSA-N,3,1,0.353,0,688,451.437,2.598,4,0.447,0.85,1.0,0.28724042217805495,0.19180487972037558,0.36472825714481527,0.20671132890137756,0.26262122198615584
EOS-3-02067,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(CO)c(F)cc4OC)n23)c(F)c1,RDLQPQMSNPPXRX-UHFFFAOYSA-N,3,1,0.358,0,129,425.395,2.597,4,0.51,0.83,0.999,0.5688352409019258,0.48474230690151465,0.8414776231923788,0.6913422657802755,0.6465993591940238
EOS-3-02068,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnc(C)nn5)c4)n23)cc1,HPTLBXNEZCXJDA-UHFFFAOYSA-N,3,1,0.337,62,124,422.452,2.978,5,0.474,0.84,1.0,0.177558083750257,0.03315399904050442,0.2873603591254883,0.20060311150709342,0.17466888835583577
EOS-3-02069,N#Cc1cc(-c2cncc3nnc(-c4ccc(C(=O)N5CCC(F)(F)C5)cn4)n23)ccc1F,UGLGEOVUSSIDPX-UHFFFAOYSA-N,3,1,0.298,0,825,449.396,3.345,5,0.476,0.78,0.217,0.09917928860256323,0.17037900075388937,0.4670002056061956,0.6737715029812898,0.3525824994859845
EOS-3-02070,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)cn1,VYWJNGXDRBHYMI-UHFFFAOYSA-N,3,1,0.318,74,333,426.444,1.886,5,0.451,0.83,1.0,0.12266979644986635,0.05786957713659105,0.030284079226920703,0.019566856281269276,0.05759757727366184
EOS-3-02071,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(F)cc3F)n12,GMIZIYGHOKROJL-UHFFFAOYSA-N,3,1,0.385,0,646,419.435,3.861,5,0.533,0.84,0.998,0.28444760468782126,0.3079124117606744,0.5948529915701459,0.6709615516414228,0.4645436399150161
EOS-3-02072,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5C)cn4)n23)cc1F,RYUOZEJXMPWTMU-UHFFFAOYSA-N,3,1,0.337,96,802,439.454,3.722,5,0.458,0.85,1.0,0.24399458570351587,0.22596120896443012,0.582293879788911,0.47265437598519633,0.38122601261051337
EOS-3-02073,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)nn1,MOXXIDFLVCGUJP-UHFFFAOYSA-N,3,1,0.317,62,302,448.49,3.511,6,0.438,0.84,1.0,0.14731683914741964,0.030044205332054007,0.155018504557604,0.19244739908162567,0.13120673702967584
EOS-3-02074,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(CCC5CCN(C(C)=O)CC5)n4)n23)cc1,LYPBUTLIHXXEKG-UHFFFAOYSA-N,3,1,0.306,63,175,473.541,2.058,5,0.455,0.91,1.0,0.05544513741347406,0.0059797135220341305,0.000402645466383387,0.00042834624083339047,0.015563960660681242
EOS-3-02075,CCc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(C)nc1C,YKKJAGXSKHLAOP-UHFFFAOYSA-N,3,1,0.333,63,878,428.5,2.639,5,0.502,0.73,1.0,0.06083373312315811,0.018667329175519155,0.0034781714755671303,0.002064628880816942,0.021260965663765334
EOS-3-02076,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(F)cn5)c4)n23)cc1,HPVRYTVQEQNEII-UHFFFAOYSA-N,3,1,0.36,74,738,452.453,3.342,6,0.435,0.83,1.0,0.18060790898499074,0.1548814337605373,0.31646220272770886,0.3652679734082654,0.2543048797203756
EOS-3-02077,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ncc(F)cn5)n4)n23)cc1,HCYRIMKSUXAXHA-UHFFFAOYSA-N,3,1,0.366,74,453,453.441,2.737,6,0.431,0.82,1.0,0.2138647111232952,0.14689705983140292,0.0768024809814269,0.12200157631416626,0.1398914570625728
EOS-3-02078,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccnc5F)n4)n23)cc1,RYWOFFPMRSAXBH-UHFFFAOYSA-N,3,1,0.326,29,849,453.441,2.737,6,0.403,0.87,1.0,0.21951888150229593,0.20128846549242685,0.09092934000411212,0.13720786786375164,0.16223613871564663
EOS-3-02079,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)cn1)N1CC(F)C1,VHEJBWWGUPHOFP-UHFFFAOYSA-N,3,1,0.34,52,376,452.453,3.104,6,0.413,0.89,1.0,0.2817233225961209,0.18752998423685835,0.13695942704406827,0.23008189980124735,0.20907365841957373
EOS-3-02080,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C(F)F)cn4)n23)cc1,MQVQSMVRDYNMFO-UHFFFAOYSA-N,3,1,0.34,74,139,446.421,3.472,5,0.444,0.83,1.0,0.18914056610239188,0.17916009869097388,0.6134860530463985,0.460103831128778,0.3604726372421356
EOS-3-02081,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2)ncn1,ASOJENKUIRBGOM-UHFFFAOYSA-N,3,1,0.536,89,230,437.463,3.235,5,0.433,0.85,1.0,0.6546501267904873,0.2105664450688781,0.5048574463710507,0.3329278322253444,0.4257504626139401
EOS-3-02082,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cc1)N1CCC1,GRSQUILOYUFZLQ-UHFFFAOYSA-N,3,1,0.34,82,800,434.463,3.156,6,0.428,0.87,1.0,0.12529984236858338,0.05787814406140772,0.012250702487834967,0.04599581934068946,0.06035612706462889
EOS-3-02083,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(Cl)cc5F)cn4)n23)cc1,FTNLVUOMKZHWEC-UHFFFAOYSA-N,3,1,0.433,96,837,445.845,3.807,5,0.45,0.84,1.0,0.2497087245562333,0.40464155986567063,0.7347508738263313,0.7532125968062504,0.5355784387636213
EOS-3-02084,Cc1ncc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1F,RJYLEUYBEFOVGR-UHFFFAOYSA-N,3,1,0.429,63,334,416.46,3.311,5,0.521,0.88,1.0,0.3162908642313755,0.2259697758892468,0.21167157837022824,0.25345247070111715,0.2518461722979919
EOS-3-02085,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cc1,CMBWFOMMUPHGMS-UHFFFAOYSA-N,3,1,0.398,52,821,451.494,2.885,6,0.413,0.86,1.0,0.03713761908025495,0.006485162086217531,0.0028956205880337196,0.008729696388184497,0.013812024535672675
EOS-3-02086,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)cn1)N1CC(F)C1,HTCNUSNUBLIDDU-UHFFFAOYSA-N,3,1,0.358,52,336,452.453,3.104,6,0.413,0.9,1.0,0.19195051744225894,0.17038756767870605,0.16466486190117197,0.277388458638887,0.201097851415256
EOS-3-02087,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4c(Cl)cnc(C)c4F)n23)nc1,BCWWJTIBZUAKKQ-UHFFFAOYSA-N,3,1,0.396,90,457,441.854,3.011,4,0.49,0.73,1.0,0.4936347748612158,0.3711448838324995,0.327393598793777,0.25663936673291754,0.36220315605510245
EOS-3-02088,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(F)c5)ncn4)n23)cn1,AYTUCNRUBYBIQN-UHFFFAOYSA-N,3,1,0.356,96,204,426.415,2.809,5,0.47,0.81,0.995,0.2166832293879789,0.22597834281406345,0.35366835720649714,0.32962956617092726,0.2814898738948667
EOS-3-02089,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5cncnc5)c4)n23)nn1,YQCSRPBHPFSWAH-UHFFFAOYSA-N,3,1,0.241,82,974,436.439,1.992,6,0.438,0.81,0.35,0.08457268179014461,0.02279658693715304,0.032699952025221024,0.06774724145020904,0.051954115550681926
EOS-3-02090,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)cc1)N1CC(F)(F)C1,NYRNMYFOICMHJH-UHFFFAOYSA-N,3,1,0.324,66,825,461.354,3.358,5,0.435,0.87,1.0,0.2709975327256528,0.3229302309642931,0.7798557329860873,0.7609913645397848,0.5336937153039545
EOS-3-02091,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5csnn5)c4)n23)cc1,XVBIUUXCCVVXQP-UHFFFAOYSA-N,3,1,0.436,14,319,447.911,3.653,5,0.44,0.88,1.0,0.17465389623740663,0.22598690973888014,0.5121821670893016,0.5266345692550202,0.3598643855801521
EOS-3-02092,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(C)n5)nn4)n23)cc1,UHSPTRINCLZFPR-UHFFFAOYSA-N,3,1,0.367,74,333,423.44,2.373,5,0.467,0.83,1.0,0.1445582893564526,0.042834624083339046,0.10838016585566446,0.06439757384689192,0.09004266328558701
EOS-3-02093,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5nnco5)ccc4Cl)n23)cc1,JKRQVPIBOYPYPI-UHFFFAOYSA-N,3,1,0.421,14,319,431.843,3.184,5,0.453,0.81,1.0,0.24701014323898293,0.29285175793297236,0.5192327462134192,0.4936090740867658,0.3881759303680351
EOS-3-02094,CN(C)C(=O)c1ccc(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,ZRDADHZJLFOTHO-UHFFFAOYSA-N,3,1,0.662,48,17,425.851,3.865,4,0.485,0.87,1.0,0.9551435816599273,0.9118634774861216,0.7243163593996299,0.6623260914262217,0.8134123774929751
EOS-3-02095,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnn5)cn4)n23)cc1,YGFSHWDVCNMLRS-UHFFFAOYSA-N,3,1,0.39,89,310,450.462,3.328,6,0.418,0.87,1.0,0.4246281954629566,0.16637824686450553,0.17758378452470702,0.17571619491467344,0.23607660544171066
EOS-3-02096,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)nc1,QJKUHPIRAILBLH-UHFFFAOYSA-N,3,1,0.427,68,806,430.35,1.934,4,0.51,0.71,1.0,0.6670807346994723,0.40915632924405454,0.5359725173051881,0.2503598108423,0.4656423480227537
EOS-3-02097,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(C)nn5C)cn4)n23)cc1,GXFSZYOTDDZPRX-UHFFFAOYSA-N,3,1,0.341,74,139,424.468,2.922,5,0.476,0.83,1.0,0.09188883558357892,0.07309300253580975,0.25773593310945103,0.1372164347885683,0.139983551504352
EOS-3-02098,Cc1cc(COc2cncc3nnc(-c4ccc(Cl)c(C)c4)n23)cc(C(=O)NCCN)n1,GEOZBXLWWCQLGS-UHFFFAOYSA-N,3,1,0.506,90,636,451.918,2.724,4,0.443,0.86,1.0,0.5215029812898362,0.3519464053183469,0.2253272565279967,0.17871461860050716,0.31937281543417173
EOS-3-02099,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ncc(Cl)cn5)nn4C)n23)cc1,ASCSARKBNQQDSG-UHFFFAOYSA-N,3,1,0.373,74,333,446.862,2.057,5,0.444,0.79,0.997,0.14732540607223632,0.2463247892536495,0.029230347474470564,0.030832362415187445,0.11342822630388597
EOS-3-02100,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)nc4)n23)c(Cl)n1,VWXNWJMMSYMVDG-UHFFFAOYSA-N,3,1,0.345,63,169,452.837,1.794,5,0.467,0.77,0.949,0.22502741415941332,0.2978291412514564,0.02287368926050305,0.06124494551435817,0.15174379754643275
EOS-3-02101,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)cn5)nc4)n23)cc1F,HATRHQLHVHLDLG-UHFFFAOYSA-N,3,1,0.365,74,274,460.86,3.462,5,0.437,0.84,1.0,0.32359845109999313,0.3471060927969296,0.5729216640394764,0.5469638818449729,0.447647522445343
EOS-3-02102,CCn1nc(-c2cccs2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,XBPHERPTOHEOCC-UHFFFAOYSA-N,3,1,0.333,74,333,430.497,3.158,5,0.459,0.83,1.0,0.10910835446508121,0.08691145226509492,0.022882256185319718,0.01430676444383524,0.058302206839832775
EOS-3-02103,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)cn1,DKSPGFRRWLNVEK-UHFFFAOYSA-N,3,1,0.333,62,302,435.491,3.751,6,0.454,0.84,1.0,0.10911692138989788,0.03909087793845521,0.33847919950654515,0.36204680967719827,0.21218345212802414
EOS-3-02104,Cc1cc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)ccc1C(=O)NC1CC1,JAZLPGAMNFAFNK-UHFFFAOYSA-N,3,1,0.373,63,364,449.465,3.484,5,0.484,0.78,1.0,0.17189534644643958,0.15862517990542116,0.29820608594338976,0.21566376533479542,0.21109759440751147
EOS-3-02105,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cnn(C)c5)n4)n23)cc1,XLEJGSDXQJTHEP-UHFFFAOYSA-N,3,1,0.364,74,139,428.431,2.753,5,0.472,0.81,1.0,0.13910972517305187,0.2012970324172435,0.3947895963265026,0.2921235693235556,0.2568299808100884
EOS-3-02106,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NCC#N)cc5)n34)cn2)cn1,HGJPXJRPRRZGOR-UHFFFAOYSA-N,3,1,0.311,74,450,424.428,1.631,5,0.424,0.89,1.0,0.03183469261873758,0.008506956342951134,0.2614368446302515,0.16236035912548832,0.11603471317935715
EOS-3-02107,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C#N)nc5)cc4)n23)cc1,FFALAQBXMODOMN-UHFFFAOYSA-N,3,1,0.358,62,3,431.459,3.752,5,0.464,0.85,1.0,0.2523816050990336,0.12559111781235008,0.7269549722431636,0.62461448838325,0.43238554588444933
EOS-3-02108,CCc1cc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)ccc1C(=O)NC1CC1,WRECRPDRYXARRG-UHFFFAOYSA-N,3,1,0.318,63,437,453.428,3.722,5,0.495,0.8,1.0,0.1505208690288534,0.21552669453772874,0.6404890000685354,0.582473785210061,0.39725258721129464
EOS-3-02109,Cn1cnc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1=O,ZYYIKBZNEHDVES-UHFFFAOYSA-N,3,1,0.408,63,108,432.444,0.794,5,0.454,0.83,0.965,0.2681961483106024,0.050245014049756696,0.01177095469810157,0.010074703584401344,0.0850717051607155
EOS-3-02110,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)n1C,PMDYJZCZDRXJLC-UHFFFAOYSA-N,3,1,0.33,52,295,451.494,2.849,6,0.437,0.84,1.0,0.10912548831471455,0.033162565965321085,0.030292646151737372,0.04082996367623878,0.05335266602700295
EOS-3-02111,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5C)nn4C)n23)cc1,RNOSGSCKIQPARG-UHFFFAOYSA-N,3,1,0.358,61,124,442.458,3.061,5,0.459,0.81,1.0,0.16941093824960593,0.2259954766636968,0.21477280515386196,0.1757247618394901,0.19647599547666372
EOS-3-02112,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4c(F)ccc(Cl)c4F)n23)cc1F,KXTDYWSFZVACBT-UHFFFAOYSA-N,3,1,0.412,23,646,457.843,4.345,5,0.452,0.87,1.0,0.3957919265300528,0.5493026523199233,0.8446302515249127,0.9160270029470221,0.6764379583304777
EOS-3-02113,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)c(Cl)c1,PQUXXYPHCNWUAP-UHFFFAOYSA-N,3,1,0.349,74,768,443.858,2.718,5,0.449,0.78,1.0,0.20290761428277707,0.23097285998218078,0.36841203481598245,0.3488451785347132,0.2877844219039134
EOS-3-02114,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)c(F)c1,PGLDKDPVBBMICA-UHFFFAOYSA-N,3,1,0.333,82,336,455.457,2.68,6,0.433,0.81,1.0,0.2195274484271126,0.22600404358851348,0.10038722500171339,0.15430744979782057,0.17505654170379004
EOS-3-02115,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)nc1,ISFRYYZPRFUYJN-UHFFFAOYSA-N,3,1,0.424,90,683,456.84,3.589,5,0.446,0.82,1.0,0.5294702213693373,0.4230604482215064,0.5823024467137277,0.6857137961757248,0.5551367281200741
EOS-3-02116,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cncnn5)c4)n23)cc1,FHIJNRBYJMWAKS-UHFFFAOYSA-N,3,1,0.385,62,740,436.479,2.984,5,0.436,0.79,1.0,0.1585652114317045,0.027285655541086973,0.29445377287368923,0.21277671167157838,0.17327033787951476
EOS-3-02117,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)nc1,RFSFRFFTQLPJSG-UHFFFAOYSA-N,3,1,0.268,33,432,442.418,1.86,6,0.409,0.85,1.0,0.027191419368103625,0.10937392913439792,0.06015694606264135,0.10796895346446439,0.07617281200740182
EOS-3-02118,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cc4F)n23)cc1,CIMXPORMURKCOZ-UHFFFAOYSA-N,3,1,0.359,74,295,453.441,2.737,6,0.431,0.8,1.0,0.20291618120759372,0.19633678294839285,0.21478137207867865,0.2833510383112878,0.22434634363648825
EOS-3-02119,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncnn5C)cc4)n23)cc1,CACKJCUHVDIMPR-UHFFFAOYSA-N,3,1,0.543,89,637,440.467,2.525,5,0.432,0.85,1.0,0.4614916729490782,0.1703961346035227,0.27981289836200396,0.1467428551847029,0.2646108902748269
EOS-3-02120,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)c5cccnc5)cc4)n23)cc1,XEKHWGHMFNWMDL-UHFFFAOYSA-N,3,1,0.354,62,3,434.459,3.444,5,0.425,0.89,1.0,0.2872489891028716,0.11532794188198205,0.5426889863614557,0.40292817490233707,0.3370485230621616
EOS-3-02121,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nc(C)no5)n4)n23)cc1,KRXPPAOHOSQBMH-UHFFFAOYSA-N,3,1,0.333,74,423,426.44,2.961,5,0.455,0.84,1.0,0.17190391337125627,0.09309677198272907,0.0747292851757933,0.03720615447878829,0.09423403125214173
EOS-3-02122,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)cc1,SHCRNXUYTSEPGT-UHFFFAOYSA-N,3,1,0.333,52,582,423.436,3.401,6,0.461,0.89,1.0,0.15584949626482078,0.06167329175519155,0.15502707148242068,0.18150743609074088,0.1385143238982935
EOS-3-02123,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cn1)N1CCOCC1,MPLOJGKRGRAWCC-UHFFFAOYSA-N,3,1,0.415,52,229,465.477,2.178,6,0.393,0.89,1.0,0.028356521143170447,0.00042834624083339047,0.007110547597834281,0.022779453087519705,0.014668717017339456
EOS-3-02124,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)cn5)cn4)n23)c(C)c1,RYBMKSRWIYOXLO-UHFFFAOYSA-N,3,1,0.317,74,274,436.479,3.287,5,0.46,0.8,1.0,0.11471969021999863,0.042843191008155715,0.287368926050305,0.15710883421287095,0.15051016037283257
EOS-3-02125,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)cc4)n23)c(C)c1,POSSBQDYJMDURK-UHFFFAOYSA-N,3,1,0.297,62,124,436.479,3.287,5,0.46,0.8,1.0,0.15313378109793707,0.04660407100267288,0.29087279830032214,0.18412891508464121,0.16868489137139334
EOS-3-02126,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cn1,PFKUHXKTRZDEJQ-UHFFFAOYSA-N,3,1,0.565,63,66,419.42,2.234,5,0.489,0.89,1.0,0.4640703173188952,0.2718799259817696,0.09533273935987938,0.14182544033993558,0.24327710575011996
EOS-3-02127,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc(C)n5C)o4)n23)cc1F,XAWMTBSTJAMREV-UHFFFAOYSA-N,3,1,0.333,74,768,432.419,2.654,5,0.464,0.78,1.0,0.2657545747378521,0.2770457816462203,0.13696799396888493,0.10580152148584744,0.1963924679597012
EOS-3-02128,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cc1Cl,VABJEUQOVIDBCW-UHFFFAOYSA-N,3,1,0.394,66,685,473.846,3.737,5,0.474,0.87,1.0,0.30057912411760673,0.42306901514632306,0.7112517990542115,0.7189620313892126,0.5384654924268385
EOS-3-02129,Cc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc(C(F)F)n1,SNAUTENDVPONML-UHFFFAOYSA-N,3,1,0.36,63,66,423.387,2.177,5,0.518,0.76,0.944,0.17191248029607292,0.15090638064560347,0.01906997464190254,0.02278802001233637,0.09116921389897882
EOS-3-02130,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)nn1,NPLLKDZSNRHVPL-UHFFFAOYSA-N,3,1,0.35,52,295,449.478,2.906,6,0.434,0.83,1.0,0.09433897608114591,0.03909944486327188,0.06016551298745802,0.07718799259817696,0.0676979816325132
EOS-3-02131,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(F)c1,SYSCECVFVHMHEL-UHFFFAOYSA-N,3,1,0.533,90,133,440.866,3.35,4,0.473,0.77,1.0,0.6254711808649167,0.4716092111575629,0.46700877253101225,0.4253306832979234,0.4973549619628538
EOS-3-02132,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnco5)cc4F)n23)cc1,CCULLVXWBKHBSY-UHFFFAOYSA-N,3,1,0.417,62,319,429.415,2.931,5,0.457,0.78,1.0,0.3456240148036461,0.25131930642176686,0.5121907340141183,0.39995545199095334,0.37727237680762116
EOS-3-02133,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CCC5)cc4)n23)nc1,DCPWJHQKPFHPKC-UHFFFAOYSA-N,3,1,0.32,52,295,451.494,2.931,6,0.437,0.83,1.0,0.14733397299705298,0.02729422246590364,0.03270851895003769,0.06125351243917483,0.06714755671304228
EOS-3-02134,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)c4)n23)cc1F,BIOQRTMXRDAYHK-UHFFFAOYSA-N,3,1,0.41,14,358,457.444,3.477,5,0.434,0.84,1.0,0.30320917003632375,0.29783770817627303,0.7903844835857721,0.735067850044548,0.5316248029607292
EOS-3-02135,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cc(F)cnc4Cl)n23)c(Cl)c1,WLEHYZRCJXPPQZ-UHFFFAOYSA-N,3,1,0.406,90,9,445.285,3.777,4,0.473,0.78,1.0,0.3479884860530464,0.4046501267904873,0.6714584332807896,0.7268179014460969,0.537728736892605
EOS-3-02136,O=C(c1ccc(-c2cncc3nnc(-c4c(Cl)cccc4Cl)n23)cn1)N1CCC1,FJOMAKVAOFKXGN-UHFFFAOYSA-N,3,1,0.379,0,169,425.279,4.006,5,0.496,0.88,1.0,0.15052943595367008,0.2562538551161675,0.03271708587485436,0.3171475567130423,0.18916198341443355
EOS-3-02137,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ccn4)n23)cc1,DOAUPWIWRVKMCB-UHFFFAOYSA-N,3,1,0.327,52,582,434.463,3.203,6,0.452,0.84,0.998,0.13659104927695154,0.03910801178808855,0.22196045507504625,0.2657031731889521,0.1658406723322596
EOS-3-02138,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(C(=O)NC)c(F)c3)n12,LVBFVIBKGJSDCV-UHFFFAOYSA-N,3,1,0.35,74,413,443.446,2.63,5,0.444,0.81,1.0,0.15053800287848673,0.2013055993420602,0.08860770337879514,0.09952196559522994,0.134993317798643
EOS-3-02139,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(C)nn5)cc4F)n23)cc1,RDZGHJISGNDETF-UHFFFAOYSA-N,3,1,0.345,74,333,441.43,2.512,5,0.451,0.78,1.0,0.18061647590980742,0.20131416626687684,0.2434548694400658,0.17872318552532382,0.20102717428551847
EOS-3-02140,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)cn4)n23)cc1)N1CCOCC1,ZZQFGMUKIKDZLP-UHFFFAOYSA-N,3,1,0.41,52,376,463.501,3.388,6,0.403,0.91,1.0,0.014221095195668563,0.0006596532108834212,0.01907854156671921,0.07132821602357618,0.026321876499211846
EOS-3-02141,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(-c5nncs5)c4)n23)cc1,QXZMHKCYZAWIEI-UHFFFAOYSA-N,3,1,0.373,62,916,453.531,3.793,6,0.42,0.86,1.0,0.1337296963881845,0.07310156946062642,0.15827393598793776,0.2037214721403605,0.1422066684942773
EOS-3-02142,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cc5)nn4)n23)nc1,LLESVDWVQXEUGN-UHFFFAOYSA-N,3,1,0.337,74,523,427.403,2.204,5,0.463,0.79,1.0,0.27100609965046946,0.30278939072030703,0.20814200534576108,0.20373003906517717,0.2464168836954287
EOS-3-02143,CNC(=O)c1cc(F)c(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cc1Cl,XQBUGYGGDQTGPR-UHFFFAOYSA-N,3,1,0.396,66,225,464.81,3.948,4,0.462,0.85,0.997,0.3979079569597697,0.5586234665204578,0.9704355424576794,0.9323898293468577,0.7148391988211912
EOS-3-02144,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)c(F)c5)cn4)n23)cc1,HUIHYJBWHAMJNC-UHFFFAOYSA-N,3,1,0.483,96,837,429.39,3.292,5,0.469,0.81,1.0,0.23053594681653075,0.26142827770543486,0.7585583578918511,0.7295164827633472,0.49500976629429105
EOS-3-02145,Cn1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cc2)n1,UJLUGKAZIQCWAB-UHFFFAOYSA-N,3,1,0.388,52,916,467.508,3.814,6,0.41,0.91,1.0,0.26027174285518473,0.2614368446302515,0.39105441710643546,0.4317730107600576,0.3361340038379823
EOS-3-02146,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)ccc5F)nn4)n23)cn1,SEPXLNMXVUBHSD-UHFFFAOYSA-N,3,1,0.324,22,997,433.382,2.072,5,0.461,0.8,1.0,0.04167808923308889,0.1963453498732095,0.320120279624426,0.33293639915016104,0.22277002947022137
EOS-3-02147,COc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,ISIBJKAVBURZJM-UHFFFAOYSA-N,3,1,0.264,33,776,452.478,2.94,6,0.421,0.87,0.86,0.22503598108423,0.09930779247481324,0.11090740867658146,0.1127578644369817,0.1370022616681516
EOS-3-02148,Cc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)cn1,ITVBKWGSLXACOC-UHFFFAOYSA-N,3,1,0.312,33,432,450.466,2.301,6,0.427,0.83,1.0,0.08458124871496128,0.04285175793297238,0.028116647248303747,0.03518436022205469,0.047683503529573026
EOS-3-02149,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccccc5F)n4)n23)cc1,PKAUAUYVDJNHJF-UHFFFAOYSA-N,3,1,0.447,62,319,442.429,3.821,5,0.446,0.83,1.0,0.28995613734493864,0.27705434857103695,0.7269635391679803,0.7136334041532452,0.5019018573093003
EOS-3-02150,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cc1F,CUDVOQYKVVTHNW-UHFFFAOYSA-N,3,1,0.333,74,450,430.407,1.718,5,0.446,0.79,1.0,0.03441333698855459,0.11238948666986498,0.17759235144952368,0.14675142210951958,0.1177866493043657
EOS-3-02151,CNC(=O)c1ccc(-c2nnc3cncc(OCc4c(Cl)ccc(F)c4Cl)n23)cn1,RGPLUJWKNOBCCV-UHFFFAOYSA-N,3,1,0.495,90,555,447.257,3.571,4,0.47,0.82,1.0,0.8113563155369748,0.712913782468645,0.7448598451099994,0.7506339524364334,0.7549409738880132
EOS-3-02152,N#Cc1cc(C(=O)NC2CC2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,PGZDIIUXKVGNKN-UHFFFAOYSA-N,3,1,0.311,63,862,464.489,2.509,6,0.447,0.84,0.999,0.24701871016379962,0.11856623946268248,0.06413199917757521,0.12201014323898293,0.13793177301076007
EOS-3-02153,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)nc1,ONSWHMNCGIRNBS-UHFFFAOYSA-N,3,1,0.326,74,139,435.451,2.507,5,0.42,0.84,1.0,0.10913405523953122,0.05389452402165719,0.36101877869919813,0.24748132410389967,0.19288217051607157
EOS-3-02154,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)cc1,WFSGMDNWDZDZDV-UHFFFAOYSA-N,3,1,0.466,51,943,439.439,1.977,5,0.421,0.82,1.0,0.5857720512644781,0.2513278733465835,0.15828250291275445,0.07532040298814338,0.26767570762798987
EOS-3-02155,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)cc5)n4)n23)cc1F,YBYVJBDSBIRNNV-UHFFFAOYSA-N,3,1,0.357,29,704,460.86,3.462,5,0.437,0.86,1.0,0.36629600438626553,0.4631279555890617,0.4879634706325817,0.5202607771914194,0.4594120519498321
EOS-3-02156,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)cc1,UUYKLAMKVXKUNI-UHFFFAOYSA-N,3,1,0.324,52,423,434.463,3.203,6,0.452,0.82,1.0,0.11742683846206566,0.03617812350078816,0.17090158316770612,0.21278527859639504,0.13432295593173874
EOS-3-02157,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)c1,VRGAJGQKSGTHMM-UHFFFAOYSA-N,3,1,0.333,61,269,436.439,1.902,5,0.412,0.85,1.0,0.18342642724967445,0.07311013638544309,0.17760091837434033,0.14675998903433624,0.14522436776094855
EOS-3-02158,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccccn5)n4)n23)cc1,CILUJQZDQUKTNU-UHFFFAOYSA-N,3,1,0.314,52,295,435.451,2.598,6,0.447,0.79,1.0,0.12828113220478377,0.025092522788020013,0.05079329723802344,0.08416146939894456,0.07208210540744295
EOS-3-02159,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)c4)n23)cc1,MELZRIWNBFQKPD-UHFFFAOYSA-N,3,1,0.436,14,319,425.427,3.077,5,0.463,0.82,1.0,0.2682047152354191,0.2206411486532794,0.6931584538414091,0.6274672743472003,0.452367898019327
EOS-3-02160,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5nnnn5C)cc4F)n23)cc1,PFKRUWWJPNBRGQ-UHFFFAOYSA-N,3,1,0.422,74,784,444.434,1.466,5,0.431,0.76,1.0,0.18617641011582484,0.2206497155780961,0.10039579192653006,0.07909841683229388,0.14658008361318622
EOS-3-02161,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(F)c5)ncn4)n23)cc1,LNDLLRYMJZNLNI-UHFFFAOYSA-N,3,1,0.345,74,139,426.415,2.809,5,0.47,0.81,1.0,0.26299602494688507,0.18312658488109107,0.47723768076211365,0.38746487560825166,0.32770629154958536
EOS-3-02162,CCCc1cc(C)nc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4Cl)n23)n1,ZJLGDRSMFYWSMM-UHFFFAOYSA-N,3,1,0.353,63,9,421.892,3.522,4,0.529,0.82,1.0,0.22212322664656295,0.2513364402714002,0.10302583784524708,0.08957576588307861,0.1665153176615722
EOS-3-02163,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cnccn5)ncn4)n23)cc1,UABLTWOFBMIGIR-UHFFFAOYSA-N,3,1,0.37,85,357,423.44,1.989,5,0.455,0.8,1.0,0.16941950517442259,0.03618669042560482,0.1582910698375711,0.09155472551572888,0.11386299773833183
EOS-3-02164,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)c4)n23)cc1,VBQJSWLLLAJYBY-UHFFFAOYSA-N,3,1,0.324,62,269,423.44,2.531,6,0.445,0.93,1.0,0.18343499417449113,0.07311870331025976,0.11366595846754848,0.16504180659310533,0.13381536563635116
EOS-3-02165,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncc(F)c5)cn4)n23)c(C)c1,JEQVARUNSOSDEA-UHFFFAOYSA-N,3,1,0.32,82,736,440.442,3.117,5,0.457,0.82,1.0,0.22504454800904666,0.2013227331916935,0.40560962236995407,0.32317010485915976,0.2887867521074635
EOS-3-02166,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(C)n5)cn4)n23)cc1F,PDXDTPBCBPVPHA-UHFFFAOYSA-N,3,1,0.363,62,802,439.454,3.722,5,0.458,0.83,1.0,0.24158727983003223,0.24127887053663216,0.5461757247618395,0.44111952573504215,0.3675403502158865
EOS-3-02167,O=C(c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1)N1CCCCC1,QUEDBQPKPXAYLD-UHFFFAOYSA-N,3,1,0.608,0,169,450.449,4.081,5,0.456,0.86,1.0,0.22505311493386335,0.22601261051333013,0.028125214173120416,0.18151600301555754,0.16517673565896784
EOS-3-02168,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(OC(F)F)c(C)c4)n23)cc1,ZBZUYZBIDZSMDY-UHFFFAOYSA-N,3,1,0.474,66,646,423.423,3.652,4,0.512,0.83,1.0,0.7491004728942499,0.5722106092796929,0.8558272222602974,0.6969107669111095,0.7185122678363375
EOS-3-02169,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)cc4F)n23)cn1,CMWCYABSMMPJGB-UHFFFAOYSA-N,3,1,0.349,96,204,443.417,3.553,5,0.456,0.83,1.0,0.3236070180248098,0.32760777191419366,0.6986327187992598,0.6768898636145569,0.5066843430882051
EOS-3-02170,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,BUWBXGACKHGTHW-UHFFFAOYSA-N,3,1,0.333,62,269,436.479,3.146,6,0.454,0.81,1.0,0.17466246316222328,0.03619525735042149,0.14289630594201905,0.1815245699403742,0.13381964909875949
EOS-3-02171,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(C)nn1,UXVYCDONLLCRMJ-UHFFFAOYSA-N,3,1,0.389,63,108,416.445,2.064,5,0.507,0.87,1.0,0.21669179631279556,0.08692001918991159,0.018213282160235763,0.014315331368651908,0.08403510725789871
EOS-3-02172,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5nnco5)ccc4Cl)n23)cc1,GNSMBWGOKWSRKW-UHFFFAOYSA-N,3,1,0.426,62,319,445.87,3.445,5,0.441,0.8,1.0,0.2788534027825372,0.3370142553628949,0.5086782948392845,0.4539099444863272,0.39461397436776097
EOS-3-02173,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cn1,TXBHTCNZJDUCAS-UHFFFAOYSA-N,3,1,0.452,63,66,422.836,2.101,5,0.501,0.83,1.0,0.43601363854430814,0.39993831814131997,0.039442121855938594,0.07532896991296005,0.2376807621136317
EOS-3-02174,CCn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,CNOFJAVEDDXWHU-UHFFFAOYSA-N,3,1,0.34,62,302,450.506,3.629,6,0.424,0.9,1.0,0.12267836337468302,0.07666541018436022,0.021708587485436227,0.04600438626550613,0.06676418682749641
EOS-3-02175,CCn1c(COc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)nnc1C(F)(F)F,KDNFSWBEEOLQQF-UHFFFAOYSA-N,3,1,0.483,66,12,446.393,2.36,4,0.484,0.81,1.0,0.4175604824892057,0.36641594133369887,0.2648721814817353,0.12642210951956687,0.29381767870605163
EOS-3-02176,NC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ncc(F)cn5)c4)n23)cn1,QHKCAWXNDDUZTG-UHFFFAOYSA-N,3,1,0.415,85,260,426.415,2.472,5,0.458,0.79,1.0,0.2279144678226304,0.18313515180590775,0.27223116989925294,0.24748989102871632,0.23269267013912684
EOS-3-02177,CC1COCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cn1,WGXWQCWQFVNIFJ-UHFFFAOYSA-N,3,1,0.343,63,829,444.455,1.208,5,0.495,0.72,0.997,0.02939311904598725,0.002107463504900281,0.0067507367555342335,0.005114454115550682,0.010841443355493112
EOS-3-02178,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)cc(-c5ncc(F)cn5)c4)n23)cc1,BQFPTDCVQDGKTB-UHFFFAOYSA-N,3,1,0.436,14,319,443.417,3.216,5,0.446,0.78,1.0,0.3287471729148105,0.20570043177301076,0.6606898087862381,0.6130834075800151,0.4520552052635186
EOS-3-02179,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4c(F)cccc4F)n23)cc1,LGXBNZOPSTYLOR-UHFFFAOYSA-N,3,1,0.457,0,646,419.435,3.747,5,0.517,0.87,1.0,0.42235796038653967,0.385340278253718,0.5086868617641012,0.6217188677952162,0.48452599204989377
EOS-3-02180,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc(C)n1,KNCXQZHHBOTFSU-UHFFFAOYSA-N,3,1,0.404,63,108,416.445,2.064,5,0.507,0.86,1.0,0.22506168185868,0.0963350695634295,0.015848810910835447,0.010528750599684738,0.08694357823315742
EOS-3-02181,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5cncnc5)cc4F)n23)cc1F,YQBYNRMBTCEPHK-UHFFFAOYSA-N,3,1,0.39,85,357,458.432,2.872,5,0.431,0.81,1.0,0.2710146665752861,0.2667055033925022,0.5854122404221781,0.5233791378246865,0.41162788705366327
EOS-3-02182,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)nc4)n23)cn1,KFCIRYMINDGJTB-UHFFFAOYSA-N,3,1,0.319,82,204,434.463,3.203,6,0.452,0.81,0.999,0.11172983345898156,0.03911657871290521,0.1307741073264341,0.1841374820094579,0.1164395003769447
EOS-3-02183,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)c(F)cc4OCCOC)n23)nc1,FYRQMDGLUIRNLF-UHFFFAOYSA-N,3,1,0.29,63,683,440.41,2.516,4,0.441,0.84,0.972,0.37306387499143306,0.22602117743814681,0.5854208073469948,0.42533925022274005,0.40246127749982863
EOS-3-02184,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc(C)s5)n4)n23)cc1,HQRWPTQOTDGMJS-UHFFFAOYSA-N,3,1,0.354,74,423,428.481,3.04,5,0.468,0.79,1.0,0.10914262216434789,0.07312727023507641,0.07681104790624357,0.047400795010622984,0.07662043382907271
EOS-3-02185,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnnn5)cn4)n23)cc1,HXSQSIHPLILTRD-UHFFFAOYSA-N,3,1,0.317,74,453,436.439,1.992,6,0.438,0.8,1.0,0.12530840929340004,0.030052772256870672,0.04716092111575629,0.0677558083750257,0.06756947776026317
EOS-3-02186,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5nnc(C)o5)n4)n23)cc1,PFGSAKVFAVXBIT-UHFFFAOYSA-N,3,1,0.398,14,740,426.44,2.495,5,0.455,0.81,1.0,0.17192104722088958,0.05788671098622439,0.0812230141868275,0.03963916112672195,0.08766748338016585
EOS-3-02187,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cccnc5F)ncn4)n23)cc1,YQTJIQUDKDUYEH-UHFFFAOYSA-N,3,1,0.379,14,357,440.442,2.733,5,0.418,0.83,1.0,0.22792303474744705,0.1963539167980262,0.3838324994859845,0.28918511411143855,0.27432364128572406
EOS-3-02188,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(C)n5)c4)n23)cc1F,DVXCCHZWIJAQCR-UHFFFAOYSA-N,3,1,0.333,74,246,442.458,3.236,5,0.448,0.82,1.0,0.025889246795970117,0.1469056267562196,0.3201288465492427,0.24173291755191556,0.18366415941333697
EOS-3-02189,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Cn5nccn5)cc4F)n23)cc1,GMHKDAWPFLAJNT-UHFFFAOYSA-N,3,1,0.386,52,341,454.469,3.129,6,0.423,0.85,1.0,0.2872575560276883,0.22602974436296347,0.25431773010760056,0.3231786717839764,0.27269592557055716
EOS-3-02190,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(C#N)n5)cc4)n23)cn1,HZFLFYLFRLXSLM-UHFFFAOYSA-N,3,1,0.333,82,204,433.435,2.542,5,0.457,0.8,1.0,0.24159584675484888,0.12559968473716673,0.32013741347405933,0.2566479336577342,0.2359952196559523
EOS-3-02191,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccnnc5)cn4)n23)cc1,LESLXILYCPVHDL-UHFFFAOYSA-N,3,1,0.371,52,916,448.49,3.126,6,0.425,0.82,1.0,0.13659961620176822,0.027302789390720308,0.2010057569734768,0.2270577753409636,0.14799148447673224
EOS-3-02192,Cc1ncc(-c2cc(F)cc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)nn1,RHVLYVCYBSZFOM-UHFFFAOYSA-N,3,1,0.404,61,124,426.415,2.857,5,0.468,0.83,1.0,0.18914913302720857,0.154890000685354,0.45307038585429377,0.39675998903433624,0.29846737715029814
EOS-3-02193,CCCNC(=O)c1ccnc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c1,HFXMHMHWODFEBK-UHFFFAOYSA-N,3,1,0.406,63,457,432.444,1.399,4,0.424,0.84,0.997,0.17467103008703996,0.02280515386196971,0.03272565279967103,0.0069991775752176,0.05930025358097458
EOS-3-02194,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnn5)cc4F)n23)cn1,PKIOLBQXLCFOSF-UHFFFAOYSA-N,3,1,0.385,13,374,442.414,2.934,5,0.441,0.82,1.0,0.7096155164142279,0.5260777191419368,0.39479816325131933,0.30789527791104104,0.4845966691796313
EOS-3-02195,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NCCF)nc5)n34)nc2)cn1,MALYETWKNCREQR-UHFFFAOYSA-N,3,1,0.345,82,974,443.446,2.348,5,0.428,0.8,1.0,0.04592728394215612,0.06168185868000822,0.15220855321773696,0.10379686107874718,0.09090363922966213
EOS-3-02196,COc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cc1,IQPRBGZCLZAKOF-UHFFFAOYSA-N,3,1,0.368,52,582,452.478,2.94,6,0.421,0.82,0.999,0.18915769995202522,0.12189877321636625,0.11962853813994928,0.11746110616133233,0.13703652936741828
EOS-3-02197,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)cn4)n23)cc1,YNRCAXUYYZOBSS-UHFFFAOYSA-N,3,1,0.388,62,837,439.454,3.804,5,0.447,0.86,1.0,0.19733911315194297,0.2614454115550682,0.4979525049688164,0.4505431430333767,0.3518200431773011
EOS-3-02198,Cc1nc(-c2cnccn2)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,NDADOJVBDJJEGQ-UHFFFAOYSA-N,3,1,0.324,74,295,449.478,2.906,6,0.434,0.84,1.0,0.12828969912960045,0.012910355698718389,0.06819272154067577,0.08076896717154411,0.07254043588513467
EOS-3-02199,N#Cc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)ccc1F,MJJSKFJCJZMFIJ-UHFFFAOYSA-N,3,1,0.364,0,999,416.391,3.5,5,0.549,0.88,0.999,0.3082807895277911,0.38534884517853474,0.7660372832568021,0.8341443355493112,0.5734528133781098
EOS-3-02200,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5cccnn5)c4)n23)cc1,KRNJDXINOOWMJA-UHFFFAOYSA-N,3,1,0.37,14,357,422.452,2.594,5,0.463,0.81,1.0,0.16402234253992187,0.04661263792748955,0.32014598039887604,0.22116373106709616,0.1879861729833459
EOS-3-02201,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncnc5)c4)n23)cc1,ARMSFTYZNXIJFC-UHFFFAOYSA-N,3,1,0.384,14,357,422.452,2.594,5,0.463,0.81,1.0,0.18916626687684188,0.05789527791104105,0.34990747721198,0.2329432526900144,0.20747806867246932
EOS-3-02202,CN(c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nc1)c1ccc(F)cn1,BQMBLHLHZZZBQF-UHFFFAOYSA-N,3,1,0.417,62,139,440.442,3.254,5,0.446,0.8,1.0,0.08250805290932767,0.12190734014118292,0.4564714550065109,0.2802926461517374,0.2352948735521897
EOS-3-02203,Cn1nc(C(=O)Nc2cc(F)ccc2F)cc1Cc1cncc2nnc(-c3ccccc3)n12,PGGRKAWUBGOHEM-UHFFFAOYSA-N,3,1,0.474,14,358,445.433,3.646,5,0.446,0.85,1.0,0.15054656980330341,0.2667140703173189,0.45648002193132753,0.4755242957987801,0.3373162394626825
EOS-3-02204,O=C(NCC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)cc1F,OXQPHTZFUGJRGV-UHFFFAOYSA-N,3,1,0.417,66,685,452.44,3.994,5,0.458,0.85,1.0,0.29551607155095605,0.32761633883901037,0.5762027962442602,0.6828952779110411,0.47055762113631694
EOS-3-02205,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,SKNAPPVTMPTLHR-UHFFFAOYSA-N,3,1,0.32,52,295,437.467,2.541,6,0.449,0.82,1.0,0.06270988965800836,0.033171132890137754,0.08618326365567816,0.10581008841066411,0.0719685936536221
EOS-3-02206,Cc1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,OZTDAANGWOKTLC-UHFFFAOYSA-N,3,1,0.317,82,738,448.49,3.511,6,0.438,0.86,1.0,0.13911829209786855,0.03317969981495442,0.2253358234528134,0.230090466726064,0.1569310705229251
EOS-3-02207,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccnn5)cc4)n23)cc1,BPURCEPDRVCVEX-UHFFFAOYSA-N,3,1,0.55,89,637,438.451,2.582,5,0.43,0.84,1.0,0.642690699746419,0.2463333561784662,0.3384877664313618,0.20671989582619424,0.3585579295456103
EOS-3-02208,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)cn1,KXGPTOKARCBFSX-UHFFFAOYSA-N,3,1,0.291,33,432,449.478,2.906,6,0.434,0.83,0.998,0.08946439586046193,0.06169042560482489,0.06622232883284217,0.07719655952299363,0.07364342745528066
EOS-3-02209,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(Cc5ccc(F)c(F)c5)n4)n23)cc1,UTBRWCOERLCNPQ-UHFFFAOYSA-N,3,1,0.433,61,331,446.421,2.736,5,0.445,0.8,1.0,0.24971729148104996,0.32293879788910973,0.5048660132958673,0.4663919539442122,0.3859785141525598
EOS-3-02210,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5nnn(C)n5)c4)n23)cc1F,HKAMBEXMPHDFQH-UHFFFAOYSA-N,3,1,0.388,85,784,444.434,1.466,5,0.431,0.79,1.0,0.17192961414570626,0.23098142690699747,0.13078267425125076,0.09953053252004661,0.15830606195600028
EOS-3-02211,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cccc(F)c5)c4)n23)cc1,YBPGEFWQZALBHI-UHFFFAOYSA-N,3,1,0.392,62,3,424.439,4.019,5,0.471,0.89,1.0,0.24972585840586664,0.24128743746144884,0.734759440751148,0.6768984305393736,0.4756677917894593
EOS-3-02212,Cc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,CHBNUTQDWBAKTG-UHFFFAOYSA-N,3,1,0.32,52,738,448.49,3.511,6,0.438,0.85,1.0,0.10428517579329724,0.022813720786786375,0.19745905009937634,0.2067284627510109,0.1328216023576177
EOS-3-02213,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cc5)no4)n23)cc1F,WBAMABLYJXHAIE-UHFFFAOYSA-N,3,1,0.352,62,802,459.416,3.679,6,0.427,0.89,1.0,0.3287557398396272,0.38081694195051746,0.3201545473236927,0.46640052086902883,0.3740319374957165
EOS-3-02214,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccncc5)n4)n23)cc1,QSBAAUVRCFDWEO-UHFFFAOYSA-N,3,1,0.433,14,357,439.454,3.338,5,0.451,0.78,1.0,0.23603591254883147,0.21057501199369474,0.4943115619217326,0.40948187238708794,0.3376010897128367
EOS-3-02215,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cn1,KJSLAVJCOLNTMF-UHFFFAOYSA-N,3,1,0.337,82,800,435.451,2.598,6,0.447,0.8,1.0,0.1391268590226852,0.03912514563772188,0.04556747309985608,0.07335857720512645,0.0742945137413474
EOS-3-02216,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(Cl)s4)n23)c(Cl)c1,TXESIKUBUWVQES-UHFFFAOYSA-N,3,1,0.423,66,9,432.336,4.304,4,0.51,0.83,1.0,0.3236155849496265,0.29286032485778907,0.504874580220684,0.5793468576519772,0.42517433692001916
EOS-3-02217,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnc(C)o5)ncn4)n23)cc1,XVXTUKYDDRUTKU-UHFFFAOYSA-N,3,1,0.327,74,333,427.428,2.356,5,0.448,0.83,1.0,0.15055513672812007,0.03913371256253855,0.05263518607360702,0.02279658693715304,0.06628015557535467
EOS-3-02218,Cc1ncncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nn1,QVMCPXPCMJMZAM-UHFFFAOYSA-N,3,1,0.346,52,295,449.478,2.906,6,0.434,0.82,1.0,0.12531697621821672,0.02510108971283668,0.08861627030361181,0.10581865533548078,0.0862132478925365
EOS-3-02219,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncnc4-c4ccc(Cl)cn4)n23)cc1,GHNWUCFZFOUXML-UHFFFAOYSA-N,3,1,0.35,74,139,442.87,3.323,5,0.454,0.81,1.0,0.3186981701048592,0.28745459529847167,0.412343225275855,0.3938043999725858,0.3530750976629429
EOS-3-02220,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnccc5Cl)nc4)n23)cc1,NUMQZKOTIIYCDT-UHFFFAOYSA-N,3,1,0.402,14,740,442.87,2.986,5,0.443,0.79,0.995,0.24400315262833253,0.17916866561579056,0.3724641902542663,0.37160749777259955,0.29181087656774723
EOS-3-02221,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncc(F)c5)cn4)n23)cc1,SKYFNJBHQDWVRP-UHFFFAOYSA-N,3,1,0.419,14,357,425.427,3.077,5,0.463,0.8,1.0,0.287266122952505,0.16638681378932219,0.5854293742718114,0.5266431361798369,0.39143136179836885
EOS-3-02222,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Br)cc4F)n23)cc1F,MWUROAXVZBBTOE-UHFFFAOYSA-N,3,1,0.566,23,17,474.265,3.771,4,0.477,0.87,1.0,0.9019258446987869,0.6495099719004866,0.876961825783017,0.8261256939209102,0.8136308340758003
EOS-3-02223,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccncc5)n4)n23)cc1,WGCYEJPOSYQKOR-UHFFFAOYSA-N,3,1,0.337,62,423,433.475,3.808,6,0.453,0.85,1.0,0.09434754300596258,0.022822287711603044,0.24703584401343293,0.3013158796518402,0.1663803885957097
EOS-3-02224,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)nc1,PYLXLFLZCWEWLI-UHFFFAOYSA-N,3,1,0.287,33,432,453.441,2.737,6,0.431,0.82,0.996,0.13121958741690082,0.17917723254060722,0.12790418751285038,0.1787317524501405,0.15425818998012472
EOS-3-02225,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ncc(-c5cccc(F)c5)nn4)n23)nc1,CZEYSVSPVCXICF-UHFFFAOYSA-N,3,1,0.353,33,348,443.402,2.329,5,0.434,0.79,1.0,0.557561167843191,0.342171544102529,0.1940665478719759,0.15181447467617024,0.3114034336234665
EOS-3-02226,CC=Cc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4OC)n23)cn1,WHYGURUTDUXDCN-UHFFFAOYSA-N,3,1,0.346,63,5,441.495,3.106,5,0.469,0.8,0.775,0.23324309505859778,0.09634363648824618,0.06414056610239188,0.03300836131862107,0.10668391474196422
EOS-3-02227,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnc5)ncn4)n23)cc1,TWYUCDORDGLFHX-UHFFFAOYSA-N,3,1,0.354,52,916,449.478,2.521,6,0.419,0.8,1.0,0.1067438832156809,0.03006133918168734,0.10303440477006373,0.11970564046329929,0.08988631690768281
EOS-3-02228,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5C)nc4)n23)c(C)c1,OZIDCOIBQPZHKF-UHFFFAOYSA-N,3,1,0.311,62,124,435.491,3.892,5,0.46,0.86,1.0,0.17193818107052292,0.04662120485230622,0.3799688163936673,0.2534610376259338,0.21299730998560756
EOS-3-02229,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)cc1,VOWNXLKUZGUGGE-UHFFFAOYSA-N,3,1,0.55,90,555,443.294,3.822,4,0.487,0.8,1.0,0.70030326913851,0.4940973888013159,0.5948615584949627,0.5760400246727435,0.591325560276883
EOS-3-02230,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5Cl)n4)n23)cc1,ZFHQYCLEKHQJKS-UHFFFAOYSA-N,3,1,0.356,29,704,468.908,3.856,6,0.417,0.93,1.0,0.24160441367966554,0.3027979576451237,0.17091015009252278,0.3079038448358577,0.2558040915632924
EOS-3-02231,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)cc1,OOQCGFAUGJJXNU-UHFFFAOYSA-N,3,1,0.347,52,582,439.504,3.869,6,0.446,0.86,1.0,0.1282982660544171,0.0766739771091769,0.18721300801864163,0.2300990336508807,0.15557107120827907
EOS-3-02232,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccc(C)nn5)c4)n23)cc1,XSXKNYGAJQVZPO-UHFFFAOYSA-N,3,1,0.375,62,124,439.454,3.722,5,0.458,0.83,1.0,0.23604447947364815,0.22065828250291275,0.6015094921526969,0.4968302378178329,0.38876062298677266
EOS-3-02233,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nnn(C)n5)cc4Cl)n23)cc1,DCHUBSFKWUDEFU-UHFFFAOYSA-N,3,1,0.349,74,333,446.862,2.057,5,0.444,0.8,1.0,0.21953601535192926,0.22603831128778012,0.09534130628469605,0.09345658282502912,0.15859305393735865
EOS-3-02234,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccn5)n4)n23)nc1,RPWPAAHPBDDNSF-UHFFFAOYSA-N,3,1,0.347,76,776,434.463,3.203,6,0.452,0.82,1.0,0.06427763689945858,0.03620382427523816,0.07681961483106024,0.11971420738811596,0.07425382084846824
EOS-3-02235,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccn5)cn4)n23)cc1,IESCVKYQXMRKEJ-UHFFFAOYSA-N,3,1,0.371,62,139,425.427,3.414,5,0.474,0.84,1.0,0.2440117195531492,0.22066684942772943,0.5823110136385443,0.49999143307518334,0.38674525392365156
EOS-3-02236,Cc1nc(-c2cccnc2)ncc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,IBFJHRCTVOMZLY-UHFFFAOYSA-N,3,1,0.327,52,582,448.49,3.511,6,0.438,0.83,1.0,0.16403090946473853,0.04662977177712289,0.11367452539236515,0.13482626276471799,0.11479036734973613
EOS-3-02237,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cnccn5)s4)n23)cc1,IPDOFJOAJXVDBP-UHFFFAOYSA-N,3,1,0.385,74,357,428.481,2.655,5,0.458,0.81,1.0,0.11743540538688232,0.06579398259200878,0.09534987320951271,0.05822082105407443,0.08420002056061957
EOS-3-02238,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccncc5)c4)n23)cc1F,GXGTZVUJPYWHNT-UHFFFAOYSA-N,3,1,0.411,14,357,425.427,3.077,5,0.463,0.82,1.0,0.2710232335001028,0.187538551161675,0.5948701254197793,0.5469724487697896,0.4001010897128367
EOS-3-02239,Cc1nn(C)cc1-c1cncc2nnc(-c3ccc(C(=O)NCc4cccnc4)cn3)n12,JJBZHSINKYCCIK-UHFFFAOYSA-N,3,1,0.31,33,432,425.456,2.22,5,0.459,0.81,1.0,0.07010314577479268,0.011805222397368241,0.11091597560139813,0.05537660201494072,0.06205023644712494
EOS-3-02240,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cn1)N1CCC(F)(F)C1,TZFUCZFVKMSXMY-UHFFFAOYSA-N,3,1,0.32,63,169,441.829,3.383,5,0.484,0.79,0.999,0.12532554314303337,0.20570899869782744,0.12513707079706668,0.3938129668974025,0.2124961448838325
EOS-3-02241,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5ncccn5)c4)n23)cc1,KIMDARMHCUHEGV-UHFFFAOYSA-N,3,1,0.393,14,357,422.452,2.594,5,0.463,0.8,1.0,0.1719467479953396,0.06169899252964156,0.2577445000342677,0.15976458090603796,0.1627887053663217
EOS-3-02242,Cc1cc(-c2ncc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)cnn1,NYMGMTPNXNCGCD-UHFFFAOYSA-N,3,1,0.268,33,432,450.466,2.301,6,0.427,0.82,1.0,0.09435610993077925,0.05390309094647385,0.029238914399287233,0.03839695702830512,0.05397376807621137
EOS-3-02243,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)nc1,GGJTVSFPKMZYIV-UHFFFAOYSA-N,3,1,0.324,33,997,457.885,2.98,6,0.431,0.85,0.993,0.03568980878623809,0.12560825166198342,0.10040435885134671,0.23583887327804812,0.12438532314440409
EOS-3-02244,COc1nc(Cl)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,SHXQVGJQEFFTNO-UHFFFAOYSA-N,3,1,0.287,63,108,421.848,2.802,5,0.493,0.86,1.0,0.31870673702967584,0.3229473648139264,0.08862483722842848,0.1305342334315674,0.21520329312589953
EOS-3-02245,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)cc1F,CKZMCRIQXNBPRT-UHFFFAOYSA-N,3,1,0.553,90,12,428.374,3.202,4,0.507,0.77,1.0,0.5798094715920773,0.5443681036255226,0.8619268727297649,0.7481752450140498,0.6835699232403536
EOS-3-02246,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,VJJIVFOISFPASF-UHFFFAOYSA-N,3,1,0.671,0,378,447.926,4.267,5,0.457,0.89,1.0,0.6310653827702009,0.43220135700089096,0.4056181892947707,0.4815725447193475,0.4876143684463025
EOS-3-02247,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cncc(-c5ccncc5)c4)n23)nc1,ZUHKMKATXSMLPQ-UHFFFAOYSA-N,3,1,0.343,33,647,448.49,3.126,6,0.425,0.83,1.0,0.04313446645192242,0.03914227948735522,0.15503563840723733,0.20373860598999383,0.1102627475841272
EOS-3-02248,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1C,XWBJBBGIQYQJCP-UHFFFAOYSA-N,3,1,0.32,52,582,450.506,3.454,6,0.44,0.87,1.0,0.11989411280926598,0.06580254951682545,0.13079124117606744,0.1284610376259338,0.11123723528202317
EOS-3-02249,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)C5)nn4)n23)nc1,BRRZBVFNCBVVHS-UHFFFAOYSA-N,3,1,0.286,63,686,465.424,1.484,5,0.48,0.74,1.0,0.03184325954355425,0.050253580974573366,0.01004900280995134,0.02197416215475293,0.02853000137070797
EOS-3-02250,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(C#N)cc(-c5cccnc5)c4)n23)cn1,UTJAMKJQTFAZBG-UHFFFAOYSA-N,3,1,0.337,82,204,432.447,3.147,5,0.463,0.79,1.0,0.2547632101980673,0.11239805359468165,0.5426975532862723,0.48158111164416423,0.3478599821807964
EOS-3-02251,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)cn5)n4)n23)cc1,DGJWUPBEJMWADL-UHFFFAOYSA-N,3,1,0.36,29,849,427.403,2.204,5,0.463,0.78,1.0,0.3032177369611404,0.2057175656226441,0.18399184428757454,0.14917586183263656,0.2105257521759989
EOS-3-02252,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1)N1CCC(F)C1,PYVCMFZXXDLPFS-UHFFFAOYSA-N,3,1,0.409,0,646,437.425,3.844,5,0.487,0.79,0.998,0.32876430676444385,0.33221677746556094,0.4089592899732712,0.6478565554108697,0.42944923240353644
EOS-3-02253,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncc(C#N)c5)c4)n23)cc1,QWEHFOVMQAIJIO-UHFFFAOYSA-N,3,1,0.333,74,246,421.424,2.27,5,0.472,0.84,1.0,0.011899458570351587,0.03621239120005483,0.46701733945582896,0.3550990336508807,0.21755705571927902
EOS-3-02254,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)no1,NMPUAISVPVNRRH-UHFFFAOYSA-N,3,1,0.363,62,341,455.453,3.848,6,0.428,0.91,1.0,0.2360530463984648,0.20572613254746078,0.25071105475978345,0.29834315674045647,0.24770834761154137
EOS-3-02255,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4OC)n23)cn1,SOTIEYMCLCLRCG-UHFFFAOYSA-N,3,1,0.322,63,66,444.455,1.509,5,0.457,0.83,1.0,0.2305445137413474,0.10269172777739703,0.012259269412651635,0.004000753889383867,0.08737406620519499
EOS-3-02256,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnnc(-c5cncs5)n4)n23)cc1,MTYGJAAGKISSBU-UHFFFAOYSA-N,3,1,0.337,74,295,441.48,2.659,6,0.441,0.81,1.0,0.11173840038379823,0.05790384483585772,0.0292474813241039,0.05386882324720718,0.06318963744774175
EOS-3-02257,CSc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1F,VOWGOJJKIUFKCX-UHFFFAOYSA-N,3,1,0.307,63,108,421.461,3.002,5,0.495,0.83,1.0,0.15056370365293675,0.14691419368103625,0.1491158933589199,0.20673702967582758,0.16333270509218012
EOS-3-02258,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-n5cccn5)c4)n23)cc1,PPMNJWPHBYOBOD-UHFFFAOYSA-N,3,1,0.517,89,656,426.44,2.311,5,0.443,0.86,1.0,0.380182989514084,0.13972654375985197,0.32016311424850935,0.17573332876430675,0.25395149407168804
EOS-3-02259,CC(C)NC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,RIPUOQVZOQADOR-UHFFFAOYSA-N,3,1,0.301,63,108,442.483,2.279,5,0.469,0.78,1.0,0.07399252964155986,0.027311356315536973,0.043845521211705846,0.02112603659790282,0.041568860941676375
EOS-3-02260,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cc5)ns4)n23)cc1,ZQAMKEXBJHCZEX-UHFFFAOYSA-N,3,1,0.403,62,837,431.456,3.476,5,0.468,0.84,1.0,0.1834435610993078,0.34218011102734563,0.3017270920430402,0.2983517236652731,0.28142562195874166
EOS-3-02261,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,QTSNKJNJIYFQBZ-UHFFFAOYSA-N,3,1,0.363,62,341,453.481,3.89,6,0.436,0.88,1.0,0.2630045918717017,0.2206754163525461,0.4704869440065794,0.506836406003701,0.365250839558632
EOS-3-02262,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cn4)n23)cn1,BYRBECHFWOTYAI-UHFFFAOYSA-N,3,1,0.316,63,175,472.484,2.325,6,0.474,0.8,0.98,0.1117469673086149,0.08010931396066068,0.0048231786717839766,0.018950037694469193,0.053907374408882186
EOS-3-02263,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncnc(C)n5)cc4F)n23)cc1,ZEBAPFZROAADIT-UHFFFAOYSA-N,3,1,0.414,62,357,454.469,3.041,5,0.435,0.79,1.0,0.33847063258172844,0.25626242204098415,0.4162411760674388,0.2861524227263382,0.3242816633541224
EOS-3-02264,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)cc1F,LZLOHWPNWDRXGX-UHFFFAOYSA-N,3,1,0.366,68,861,417.326,2.766,4,0.515,0.86,0.999,0.25477177712288396,0.37115345075731615,0.9187170173394559,0.8341529024741279,0.5946987869234459
EOS-3-02265,Cc1ncc(-c2ncc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cc5F)n34)cn2)o1,FUHKIPOYVMVYME-UHFFFAOYSA-N,3,1,0.339,82,800,456.441,3.243,6,0.427,0.84,1.0,0.21139743677609485,0.2614539784798849,0.13367829483928448,0.17320608594338976,0.1949339490096635
EOS-3-02266,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)cn1,MGTVQGJRBVDJQY-UHFFFAOYSA-N,3,1,0.315,74,768,442.458,3.235,5,0.448,0.82,1.0,0.2817318895209376,0.2155352614625454,0.40562675621958744,0.304751216503324,0.3019112809265986
EOS-3-02267,CC#Cc1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,CJNAMZGVOAHYRY-UHFFFAOYSA-N,3,1,0.483,63,536,425.452,2.424,5,0.473,0.82,1.0,0.3754797477897334,0.1704047015283394,0.13368686176410116,0.11027345624014803,0.1974611918305805
EOS-3-02268,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5nnn(C)n5)c4)n23)cc1F,JKIODFKIHOWZOG-UHFFFAOYSA-N,3,1,0.326,74,413,430.407,1.542,5,0.455,0.78,1.0,0.23325166198341443,0.19636248372284285,0.155044205332054,0.12846960455075046,0.17828198889726543
EOS-3-02269,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)nc(C)n4)n23)cc1,PBZGPQVWSOWBIV-UHFFFAOYSA-N,3,1,0.386,74,333,441.43,2.512,5,0.451,0.79,1.0,0.2221317935713796,0.15863374683023782,0.2290881365225139,0.14918442875745322,0.18975952642039612
EOS-3-02270,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cccc(F)c5)c4)n23)cn1,WHPUSTGLNCKTGD-UHFFFAOYSA-N,3,1,0.375,96,3,442.429,4.158,5,0.452,0.87,1.0,0.26821328216023577,0.3182269892399424,0.788217051607155,0.7898362003975054,0.5411233808512097
EOS-3-02271,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cnccn5)c(Cl)c4)n23)cc1,NNTFIHZZQKJWDX-UHFFFAOYSA-N,3,1,0.426,85,357,442.87,2.986,5,0.443,0.8,1.0,0.18062504283462408,0.17504797477897335,0.3838410664108012,0.3716160646974162,0.2777825371804537
EOS-3-02272,Cc1cc(C(F)F)c(Cc2cncc3nnc(-c4ccc(C(=O)NCCF)cc4)n23)nn1,YZDTVXCRKIMCML-UHFFFAOYSA-N,3,1,0.408,66,264,441.417,3.117,4,0.473,0.74,1.0,0.25741038996641763,0.19181344664519223,0.4670259063806456,0.3584401343293811,0.31867246933040916
EOS-3-02273,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cn1,RAVJKJRATANRGI-UHFFFAOYSA-N,3,1,0.478,63,555,439.838,2.845,5,0.46,0.81,1.0,0.554956822698924,0.4140223425399219,0.24346343636488246,0.33624323212939483,0.3871714584332808
EOS-3-02274,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnn(C)n5)ccc4C)n23)cc1,ILROOKMIUGMQJC-UHFFFAOYSA-N,3,1,0.34,61,269,425.456,2.317,5,0.47,0.82,1.0,0.20860461928586116,0.07313583715989308,0.15505277225687067,0.08780241244602838,0.13114891028716333
EOS-3-02275,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccnn5)c4)n23)cn1,FXKWNCADXYFHLU-UHFFFAOYSA-N,3,1,0.37,85,290,423.44,1.989,5,0.455,0.85,0.999,0.14734253992186966,0.06581111644164211,0.1109245425262148,0.07133678294839285,0.09885374545952985
EOS-3-02276,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)c1,OKTPJZOLVPOCNS-UHFFFAOYSA-N,3,1,0.265,33,432,437.467,2.541,6,0.449,0.82,0.927,0.117443972311699,0.06581968336645877,0.06623089575765884,0.08077753409636076,0.08256802138304434
EOS-3-02277,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)c(F)n4)n23)cc1,WIPOHVBGBJMVBX-UHFFFAOYSA-N,3,1,0.404,0,175,417.404,1.937,5,0.507,0.91,1.0,0.19455486258652593,0.16254883147145502,0.008712562538551162,0.02353334247138647,0.09733739976697964
EOS-3-02278,CCn1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(C(F)F)n1,DTEIUGZTPKPWSR-UHFFFAOYSA-N,3,1,0.318,63,306,441.417,3.644,5,0.493,0.79,1.0,0.1473511068466863,0.26146254540470154,0.3684206017407991,0.4094904393119046,0.2966811733260229
EOS-3-02279,Cc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,LSIMVWLAZRBVPV-UHFFFAOYSA-N,3,1,0.317,74,453,449.478,2.906,6,0.434,0.83,1.0,0.0894729627852786,0.02283085463641971,0.06414913302720855,0.07720512644781029,0.06341451922417929
EOS-3-02280,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccc(Cl)c5)n4)n23)cc1,HQRORHOQQVDFFJ-UHFFFAOYSA-N,3,1,0.392,62,837,441.882,3.928,5,0.453,0.85,1.0,0.19456342951134262,0.25134500719621683,0.5593773559043246,0.5633609759440751,0.39216169213898977
EOS-3-02281,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cc4)n23)nc1,HCRGRAJBSIKNRO-UHFFFAOYSA-N,3,1,0.296,52,517,433.475,3.808,6,0.453,0.88,1.0,0.1147282571448153,0.06170755945445823,0.26866732917551917,0.3620553766020149,0.2017896305942019
EOS-3-02282,Cn1nnc(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccn2)n1,DNEIWSLDWUBJCZ-UHFFFAOYSA-N,3,1,0.364,52,916,452.482,1.86,6,0.413,0.82,1.0,0.11473682406963197,0.03318826673977109,0.020903296552669454,0.02713145089438695,0.048989959564114866
EOS-3-02283,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cc4F)n23)cc1,PNOSKBPKUPFDSK-UHFFFAOYSA-N,3,1,0.364,74,333,427.403,2.204,5,0.463,0.77,1.0,0.21954458227674595,0.20133130011651018,0.3684291686656158,0.2983602905900898,0.2719163354122404
EOS-3-02284,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)n4)n23)cc1,HNRUUTKQFOCNFF-UHFFFAOYSA-N,3,1,0.376,62,331,430.859,3.052,5,0.47,0.8,1.0,0.06814988691659242,0.20573469947227743,0.33849633335617846,0.3521177438146803,0.24112466588993214
EOS-3-02285,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ncc(Cl)cn5)nn4C)n23)cc1,QZAOYSIFVJICKJ-UHFFFAOYSA-N,3,1,0.353,74,333,460.889,2.447,5,0.423,0.84,0.951,0.14184257418956892,0.24634192310328284,0.022890823110136384,0.02280515386196971,0.10847011856623946
EOS-3-02286,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)n2)o1,PDJFIXPGBTYSJH-UHFFFAOYSA-N,3,1,0.294,33,776,439.439,2.499,6,0.438,0.81,0.918,0.0991878555273799,0.0362209581248715,0.014538071413885271,0.01833321910766911,0.04207002604345144
EOS-3-02287,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cccc(F)c5)n4)n23)cn1,XUDGFHUQEMMILN-UHFFFAOYSA-N,3,1,0.436,14,358,443.417,3.216,5,0.446,0.77,0.999,0.23055308066616406,0.27188849290658623,0.512199300938935,0.5403502158865053,0.3887477725995476
EOS-3-02288,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5F)nn4)n23)cc1F,HQIYYLMFFSIJSC-UHFFFAOYSA-N,3,1,0.346,22,997,450.384,2.816,5,0.452,0.8,1.0,0.10915118908916456,0.25135357412103354,0.6931670207662257,0.6884295113426084,0.43552532382975806
EOS-3-02289,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)s4)n23)cc1F,KETUPMCMXKQTGD-UHFFFAOYSA-N,3,1,0.385,66,685,462.432,3.889,5,0.455,0.87,1.0,0.24161298060448222,0.36149852648893155,0.6106161332328147,0.5793554245767939,0.44827076622575557
EOS-3-02290,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cccnc5F)ncc4F)n23)cc1,UNJOYFQPDQYTRT-UHFFFAOYSA-N,3,1,0.39,14,319,443.417,3.216,5,0.418,0.82,0.989,0.23056164759098075,0.2057432663970941,0.6959512713316428,0.6303286272359674,0.4406462031389213
EOS-3-02291,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)cc1F,QGQJGYOAFJZSCC-UHFFFAOYSA-N,3,1,0.409,62,3,424.439,4.067,5,0.469,0.93,1.0,0.2360616133232815,0.2105835789185114,0.7842934000411212,0.7189705983140292,0.48747729764923586
EOS-3-02292,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)nc1,HZQQFFOBGKDROZ-UHFFFAOYSA-N,3,1,0.447,63,108,419.42,2.234,5,0.458,0.89,1.0,0.3846891919676513,0.1322390514700843,0.09801418682749641,0.13283016928243438,0.1869431498869166
EOS-3-02293,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)nn1,NWWCYIIOGOYAGB-UHFFFAOYSA-N,3,1,0.32,52,582,448.49,3.511,6,0.438,0.84,1.0,0.07011171269960935,0.03319683366458776,0.15506133918168735,0.167577616338839,0.10648687547118087
EOS-3-02294,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cn1,LGRDRYPZNZMKMV-UHFFFAOYSA-N,3,1,0.541,68,127,461.379,2.878,4,0.422,0.87,1.0,0.5062538551161675,0.46313652251387843,0.7564337605373175,0.5233877047495031,0.5623029607292166
EOS-3-02295,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccnc5F)c4)n23)cc1F,RPFMCFLZVJIEPE-UHFFFAOYSA-N,3,1,0.299,74,246,458.432,3.209,6,0.406,0.88,0.998,0.05055342334315674,0.1831437187307244,0.38384963333561783,0.47266294291001304,0.272552429579878
EOS-3-02296,Cc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NCC#N)cc3)n12,JSJVKXYITMQPIK-UHFFFAOYSA-N,3,1,0.333,61,269,450.466,2.211,5,0.402,0.86,1.0,0.19734768007675965,0.08011788088547735,0.197467617024193,0.14413851004043587,0.15476792200671646
EOS-3-02297,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cc1F,NEYKOROFXBHAEK-UHFFFAOYSA-N,3,1,0.516,90,133,445.817,2.494,4,0.454,0.76,1.0,0.6794342402851072,0.5122335686382017,0.40896785689808784,0.39996401891577,0.5001499211842917
EOS-3-02298,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)cc1F,AZCKVMWBJDJPJS-UHFFFAOYSA-N,3,1,0.343,74,768,430.407,1.542,5,0.455,0.77,1.0,0.21140600370091153,0.21059214584332808,0.08123158111164416,0.07910698375711055,0.1455841786032486
EOS-3-02299,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnn(C)n5)n4)n23)cc1F,NNMIXZKHMNFPCH-UHFFFAOYSA-N,3,1,0.346,74,768,430.407,1.542,5,0.455,0.77,1.0,0.20292474813241038,0.19182201357000891,0.08378452470701117,0.07134534987320951,0.13746915907065999
EOS-3-02300,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccccc4F)n23)cc1,WROTVKLILXVQHI-UHFFFAOYSA-N,3,1,0.38,62,302,451.465,3.947,6,0.435,0.89,1.0,0.2195531492015626,0.23098999383181412,0.2982146528682064,0.4189825920087725,0.2919350969775889
EOS-3-02301,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cccc(F)c5)n4)n23)cc1,SWJSFWBCPNFCTK-UHFFFAOYSA-N,3,1,0.366,62,302,451.465,3.947,6,0.435,0.88,1.0,0.17467959701185662,0.20133986704132684,0.3311973134123775,0.4222294565142896,0.28236155849496264
EOS-3-02302,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)c(Cl)c1,YFBQPZOYTQRWGZ-UHFFFAOYSA-N,3,1,0.506,90,555,430.802,3.057,4,0.489,0.76,1.0,0.7188420944417792,0.6445068878075526,0.8070899869782743,0.7403622095812488,0.7277002947022138
EOS-3-02303,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)ncc4F)n23)cc1,XYRFSADFFZLFHG-UHFFFAOYSA-N,3,1,0.364,74,856,444.405,2.948,5,0.454,0.78,1.0,0.33370742238366113,0.2309985607566308,0.5013792748954835,0.43178157768487424,0.37446670893016243
EOS-3-02304,NC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cc(Cl)ncn5)c4)n23)cn1,IMMWJAPSJMARTA-UHFFFAOYSA-N,3,1,0.376,14,81,442.87,2.986,5,0.415,0.82,1.0,0.1505722705777534,0.1831522856555411,0.357309300253581,0.3684034678911658,0.2648593310945103
EOS-3-02305,O=C(c1ccc(-c2cncc3nnc(-c4ncc(OC(F)F)cn4)n23)c(F)c1)N1CCC1,CJWAVMCFTDLYRV-UHFFFAOYSA-N,3,1,0.376,63,169,441.373,2.835,5,0.47,0.8,0.343,0.36167843191008153,0.49887773284901654,0.11093310945103146,0.30132444657665686,0.3182034301966966
EOS-3-02306,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5F)nn4)n23)cc1,AGONFXQRAOJHRU-UHFFFAOYSA-N,3,1,0.333,74,997,441.43,2.465,6,0.445,0.81,1.0,0.05056199026797341,0.13224761839490096,0.14006922075251868,0.21830237817832912,0.13529530189843053
EOS-3-02307,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)cc1)N1CC(F)C1,NRMKYWUXUUTPFU-UHFFFAOYSA-N,3,1,0.352,82,800,452.453,3.104,6,0.413,0.87,1.0,0.25741895689123434,0.18316085258035775,0.14007778767733534,0.21831094510314578,0.19974213556301829
EOS-3-02308,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccnc(C)c5)n4)n23)cc1,DBHMQUXDPIJVOE-UHFFFAOYSA-N,3,1,0.33,74,333,423.44,2.373,5,0.467,0.85,1.0,0.15314234802275375,0.02283942156123638,0.16467342882598862,0.09741450209032966,0.1095174251250771
EOS-3-02309,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc1,RMQQOEYDGBRVJH-UHFFFAOYSA-N,3,1,0.315,82,974,439.443,1.331,6,0.429,0.83,1.0,0.15058083750257006,0.05391165787129052,0.007504626139401001,0.00969775889246796,0.055423720101432386
EOS-3-02310,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)cc1F,ZTBDWWMGDZTSEF-UHFFFAOYSA-N,3,1,0.373,0,188,441.388,4.508,5,0.473,0.9,1.0,0.4085823452813378,0.5260862860667535,0.9604036734973613,0.9553491878555274,0.712605373175245
EOS-3-02311,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)cc1,JNAJPLUISCXBRY-UHFFFAOYSA-N,3,1,0.385,14,357,422.452,2.594,5,0.463,0.8,1.0,0.15585806318963744,0.05791241176067439,0.34201733945582896,0.22117229799191282,0.1942400280995134
EOS-3-02312,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cncnc5)c4)n23)cc1,GTXYMTOKAZHWMB-UHFFFAOYSA-N,3,1,0.353,62,648,425.427,3.414,5,0.474,0.84,1.0,0.24702727708861627,0.21060071276814474,0.7011342608457268,0.6217274347200329,0.4451224213556302
EOS-3-02313,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccc(F)nc5)cn4)n23)cc1,CSTTYECALWQGHR-UHFFFAOYSA-N,3,1,0.392,74,453,426.415,2.809,5,0.44,0.85,1.0,0.21670036323761221,0.18754711808649166,0.42730964293057366,0.342402851072579,0.2934899938318141
EOS-3-02314,Cc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)n23)cc1F,XKXDDUAKYIGNND-UHFFFAOYSA-N,3,1,0.465,78,751,466.904,3.35,5,0.458,0.82,1.0,0.07211637310670961,0.11533650880679872,0.06217017339455829,0.20674559660064423,0.11409216297717772
EOS-3-02315,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccccc5)nc4)n23)cc1,JDKXTIJSTIORHT-UHFFFAOYSA-N,3,1,0.404,62,302,446.514,4.336,6,0.42,0.92,0.999,0.16130662737303816,0.05792097868549106,0.32740216571859365,0.3938215338222192,0.23511282639983552
EOS-3-02316,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)nc1,BNUNFKWFNCAQNX-UHFFFAOYSA-N,3,1,0.307,33,776,435.451,2.598,6,0.447,0.79,1.0,0.08948152971009526,0.027319923240353643,0.034087793845521214,0.05129874580220684,0.05054699814954424
EOS-3-02317,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)c(Cl)c1,DVRWVULJANBSTB-UHFFFAOYSA-N,3,1,0.367,0,682,452.877,3.36,4,0.483,0.79,1.0,0.4452316496470427,0.42307758207113977,0.5729302309642931,0.4784970187101638,0.4799341203481598
EOS-3-02318,Cc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)n1,ASWIQMCEAMXPQN-UHFFFAOYSA-N,3,1,0.288,33,432,449.478,2.906,6,0.434,0.81,1.0,0.10170653142348023,0.04663833870193955,0.048805770680556505,0.05973716674662463,0.06422195188815022
EOS-3-02319,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccn5)n4)n23)cn1,ABGGTCHMBHGZQN-UHFFFAOYSA-N,3,1,0.32,29,849,436.439,1.992,6,0.438,0.78,0.881,0.09919642245219656,0.050262147899390035,0.010640120622301418,0.015480433143718731,0.04389478102940168
EOS-3-02320,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(OC)nc5)n4)n23)cc1,BZKYGFAJYJFXTM-UHFFFAOYSA-N,3,1,0.33,29,849,439.439,2.074,5,0.437,0.79,1.0,0.36168699883489824,0.12561681858680007,0.11963710506476595,0.043340072647522446,0.16257024878349668
EOS-3-02321,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)c(Cl)c5)n4)n23)cc1,XAHGELAFDQZYSL-UHFFFAOYSA-N,3,1,0.402,29,704,460.86,3.462,5,0.437,0.85,1.0,0.33847919950654515,0.4091648961688712,0.5292903159481872,0.517048180385169,0.4484956480021931
EOS-3-02322,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cncnc5C)c4)n23)cc1C,KAXQPDHTSBVOMP-UHFFFAOYSA-N,3,1,0.297,82,859,436.479,3.287,5,0.46,0.82,1.0,0.1391354259475019,0.027328490165170312,0.3762764717976835,0.23295181961483105,0.19392305188129666
EOS-3-02323,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4nnn(C)n4)nc3)n12,QNOKONJWEDSIHJ-UHFFFAOYSA-N,3,1,0.282,52,295,452.482,2.244,6,0.43,0.84,0.999,0.09436467685559592,0.042860324857789046,0.024818381193886643,0.03084092934000411,0.048221078061818926
EOS-3-02324,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)NC5CC5)s4)n23)cc1,HMIDHOPKVFAPPA-UHFFFAOYSA-N,3,1,0.381,63,334,458.547,3.228,6,0.443,0.81,1.0,0.23882873003906518,0.07314440408470975,0.01908710849153588,0.03964772805153862,0.09267699266671235
EOS-3-02325,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)cc1,WJTGGAAZTUOXJN-UHFFFAOYSA-N,3,1,0.341,62,269,435.451,2.507,5,0.42,0.83,1.0,0.15586663011445412,0.05792954561030773,0.32373552189705984,0.2389058323624152,0.1941093824960592
EOS-3-02326,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cccnn5)c4)n23)cc1F,UTWJMUDDSZKGDD-UHFFFAOYSA-N,3,1,0.406,14,319,457.444,3.477,5,0.434,0.82,1.0,0.3287728736892605,0.3028065245699404,0.7294650812144473,0.6797426495785073,0.5101967822630389
EOS-3-02327,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)n5)nn4)n23)cc1,JRPAPHARMZJMHP-UHFFFAOYSA-N,3,1,0.346,74,997,429.419,2.323,5,0.426,0.83,1.0,0.04459941059557261,0.09635220341306285,0.16783462408333905,0.13722500171338498,0.11150280995133986
EOS-3-02328,CONC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)nc1,BJGVQPRXGABBIJ-UHFFFAOYSA-N,3,1,0.466,68,457,445.361,2.47,4,0.45,0.8,0.998,0.6609725173051881,0.3421886779521623,0.8367572476183949,0.5469810156946062,0.5967248646425879
EOS-3-02329,Cc1nccc(-c2cccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,BZNLLWKJSTVASK-UHFFFAOYSA-N,3,1,0.404,62,319,421.464,3.246,5,0.466,0.86,1.0,0.18063360975944076,0.05392022479610719,0.4056353231444041,0.29514769378383937,0.23383421287094786
EOS-3-02330,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nc1)N1CCCC1,UUVDZYXATNBQLI-UHFFFAOYSA-N,3,1,0.34,52,821,449.478,2.941,6,0.411,0.86,0.956,0.052189705983140294,0.009997601261051333,0.002638612843533685,0.00805290932766774,0.01821970735384826
EOS-3-02331,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)c(Cl)c1,KZKLHCGZMVKZIN-UHFFFAOYSA-N,3,1,0.375,61,917,463.864,2.801,5,0.435,0.81,1.0,0.28996470426975535,0.3853574121033514,0.3910629840312521,0.4253478171475567,0.37293322938797885
EOS-3-02332,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cc1,JEAYHSJOHPIXPB-UHFFFAOYSA-N,3,1,0.567,63,536,453.865,2.888,5,0.429,0.82,1.0,0.6764786512233568,0.41403090946473853,0.1307998081008841,0.21831951202796243,0.3599072202042355
EOS-3-02333,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncc(F)c5)cn4)n23)cc1,MSRGVFUXCMVJOV-UHFFFAOYSA-N,3,1,0.421,14,357,439.454,3.338,5,0.451,0.77,1.0,0.29270612021108905,0.21060927969296142,0.5762113631690768,0.4847508738263313,0.39106940922486466
EOS-3-02334,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)nc1,GSUBQXOOHQQXSB-UHFFFAOYSA-N,3,1,0.441,33,53,439.439,1.977,5,0.421,0.81,0.957,0.38469775889246793,0.13225618531971764,0.08124014803646083,0.036143855801521484,0.15858448701254196
EOS-3-02335,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccnc(F)c5)nc4)n23)cc1,YQEFSLSCPZSVBG-UHFFFAOYSA-N,3,1,0.402,14,319,425.427,3.077,5,0.433,0.86,0.999,0.257427523816051,0.15091494757042012,0.594878692344596,0.5035552737989172,0.37669410938249603
EOS-3-02336,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)cc1Cl,PTVMRBBQULELGU-UHFFFAOYSA-N,3,1,0.369,74,274,460.86,3.462,5,0.437,0.84,1.0,0.27886196970735383,0.327624905763827,0.5790727160578438,0.5569614831060242,0.4356302686587622
EOS-3-02337,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5csc(C)n5)n4)n23)cc1,ACYVTJSMFJTDOZ-UHFFFAOYSA-N,3,1,0.327,29,849,443.496,2.825,5,0.44,0.79,0.959,0.12533411006785006,0.07315297100952642,0.028133781097937086,0.011513946953601535,0.059533702282228776
EOS-3-02338,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,RXZJOGHLVFGCDM-UHFFFAOYSA-N,3,1,0.34,74,295,456.445,2.075,6,0.426,0.82,1.0,0.1973562470015763,0.20134843396614352,0.042354876293605646,0.08584915358782812,0.1317271777122884
EOS-3-02339,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCN(CCO)CC5)cc4)n23)cc1,JNYVJNBBQVVHMD-UHFFFAOYSA-N,3,1,0.413,0,901,471.521,1.307,5,0.434,0.91,1.0,0.04023027893907203,0.00015420464670002056,0.002904187512850387,0.007221917620450963,0.01262764717976835
EOS-3-02340,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5nnnn5C)cc4)n23)cc1,UBCMSWLCQIOGKB-UHFFFAOYSA-N,3,1,0.446,61,740,439.483,2.127,5,0.431,0.82,1.0,0.22793160167226373,0.12562538551161676,0.10041292577616338,0.06440614077170859,0.12959401343293814
EOS-3-02341,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)cn2)cn1,LNXGMUDMVNOSFW-UHFFFAOYSA-N,3,1,0.318,82,974,438.455,1.936,6,0.441,0.79,1.0,0.05545370433829073,0.03915084641217189,0.029256048248920568,0.03615242272633815,0.04000325543143034
EOS-3-02342,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1,SCLHIDHVMMDFNH-UHFFFAOYSA-N,3,1,0.33,62,341,453.481,3.89,6,0.436,0.87,1.0,0.22794016859708038,0.21061784661777808,0.4530789527791104,0.5100490028099514,0.35042149270098005
EOS-3-02343,CCc1nc(OC)ncc1Oc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,DQUVNKIJPYYOLM-UHFFFAOYSA-N,3,1,0.436,63,536,431.456,2.837,5,0.475,0.78,0.982,0.44524021657185936,0.1586423137550545,0.02584641217188678,0.013809882804468508,0.16088470632581728
EOS-3-02344,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(C)n5)n4)n23)cc1,ZKPYGRUSLWIWKO-UHFFFAOYSA-N,3,1,0.36,29,849,423.44,2.373,5,0.467,0.82,0.998,0.16942807209923927,0.042868891782605716,0.0909379069289288,0.0460129531903228,0.08731195600027414
EOS-3-02345,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1Cl,DSZWYILPSYXNMO-UHFFFAOYSA-N,3,1,0.766,23,721,460.296,4.218,4,0.466,0.86,1.0,0.8919111095881023,0.7219861558494962,0.879617572476184,0.8779812898362004,0.8428740319374958
EOS-3-02346,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cn(C)nn5)cc4)n23)cn1,VRWSUXXKEMZGNJ-UHFFFAOYSA-N,3,1,0.36,85,740,425.456,1.932,5,0.457,0.83,1.0,0.07012027962442602,0.07668254403399356,0.11964567198958262,0.06952059488725927,0.08399227263381537
EOS-3-02347,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5F)nc4)n23)cc1,GIFMVYCCSRMVEQ-UHFFFAOYSA-N,3,1,0.402,62,3,442.429,4.158,5,0.452,0.87,1.0,0.3032263038859571,0.2978462751010897,0.8528630662737304,0.8031749023370571,0.5642776368994586
EOS-3-02348,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)c(C)c1,ZNWHIUXPQPUXEK-UHFFFAOYSA-N,3,1,0.336,22,681,446.421,2.985,5,0.455,0.8,0.896,0.0554622712631074,0.18755568501130834,0.5122078678637516,0.4505517099581934,0.3014443835240902
EOS-3-02349,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5F)cn4)n23)cc1,WVOFGJHFTFFRTL-UHFFFAOYSA-N,3,1,0.576,1,210,441.426,3.065,5,0.43,0.85,1.0,0.7978205743266397,0.3999468850661367,0.5192413131382358,0.4505602768830101,0.5418922623535055
EOS-3-02350,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccncc5)ncn4)n23)cc1Cl,MENIRYNZQTZRFS-UHFFFAOYSA-N,3,1,0.33,74,768,442.87,3.323,5,0.454,0.79,1.0,0.197364813926393,0.2260468782125968,0.4809128915084641,0.45695976972106095,0.3403210883421287
EOS-3-02351,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cccnc5)cn4)n23)cc1,KCQWHRBZGYCGNX-UHFFFAOYSA-N,3,1,0.382,14,357,422.452,2.594,5,0.463,0.81,1.0,0.1919590843670756,0.089927009800562,0.24347200328969912,0.16236892605030498,0.17193175587691042
EOS-3-02352,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(F)c(CO)c3)n12,BDKCLJFDGONYBY-UHFFFAOYSA-N,3,1,0.34,0,999,433.443,2.991,5,0.485,0.85,0.998,0.39791652388458637,0.282185936536221,0.532494345829621,0.5,0.42814920156260705
EOS-3-02353,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnc(Cl)cn5)c4)n23)cc1,FFGZKONWTQJYBN-UHFFFAOYSA-N,3,1,0.341,74,246,457.885,2.98,6,0.431,0.82,1.0,0.027199986292920295,0.1359056952916181,0.14290487286683573,0.22706634226578026,0.1332692241792886
EOS-3-02354,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5F)cn4)n23)cc1,FFDONWAIXRXDTM-UHFFFAOYSA-N,3,1,0.544,1,700,441.426,3.065,5,0.43,0.84,1.0,0.7368669042560483,0.3615070934137482,0.5258721129463367,0.45056884380782675,0.5187037386059901
EOS-3-02355,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccncc5)c4)n23)nc1,FMNLMQJXXUNNIH-UHFFFAOYSA-N,3,1,0.444,97,348,441.426,3.065,5,0.43,0.84,1.0,0.5394335549311219,0.2667226372421356,0.6047220889589473,0.5304554177232541,0.4853334247138647
EOS-3-02356,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)nc(C(F)F)n4)n23)cc1,RJSYYHUKHDODHK-UHFFFAOYSA-N,3,1,0.424,66,455,449.343,3.227,4,0.468,0.74,0.717,0.35707799328353096,0.4140394763895552,0.9009320814200534,0.7241278870536633,0.5990443595367007
EOS-3-02357,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5F)cn4)n23)cc1,UGBAGQAKSXLHIX-UHFFFAOYSA-N,3,1,0.411,96,837,443.417,3.553,5,0.456,0.81,1.0,0.2682218490850524,0.27189705983140294,0.729473648139264,0.6709701185662394,0.4851406689054897
EOS-3-02358,CN(C)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cn1,MOYCSEIURINMIT-UHFFFAOYSA-N,3,1,0.348,63,175,414.473,2.55,5,0.507,0.93,1.0,0.009732026591734631,0.002381605099033651,0.0014221095195668563,0.0010023302035501336,0.0036345178534713182
EOS-3-02359,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnn(-c4ncccn4)c3)n12,LYMQVBAYKSOAML-UHFFFAOYSA-N,3,1,0.291,74,450,437.467,2.635,6,0.449,0.83,0.999,0.007813035432801041,0.0142382290453019,0.05635323144404085,0.06441470769652526,0.035704800904667267
EOS-3-02360,CC(=O)Nc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5(F)CC5)cc4)n23)cc1,VPTKCCDJGGAUCT-UHFFFAOYSA-N,3,1,0.408,0,862,430.443,3.606,5,0.471,0.82,1.0,0.18917483380165856,0.08360461928586115,0.28737749297512166,0.247498457953533,0.2019138510040436
EOS-3-02361,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5)cn4)n23)cc1,LRHBIIYXIORQFH-UHFFFAOYSA-N,3,1,0.394,62,3,424.439,4.019,5,0.471,0.9,1.0,0.24703584401343293,0.3182355561647591,0.7347680076759646,0.6829038448358578,0.4957358131725036
EOS-3-02362,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccc(F)cc4)n23)cc1F,OTVHFFIIQZYLGQ-UHFFFAOYSA-N,3,1,0.356,96,648,448.458,4.22,5,0.445,0.88,1.0,0.2682304160098691,0.390214858474402,0.6633284216297718,0.6650418065931053,0.496703875676787
EOS-3-02363,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)cc1F,KEXCNPLEJMVOIQ-UHFFFAOYSA-N,3,1,0.333,29,849,461.848,2.857,5,0.405,0.86,0.985,0.3546963881844973,0.36151566033856486,0.34991604413679667,0.3584487012541978,0.3561441984785142
EOS-3-02364,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccc(F)nn5)cn4)n23)cc1,MZNWOEYCXPZONB-UHFFFAOYSA-N,3,1,0.383,74,333,427.403,2.204,5,0.463,0.77,1.0,0.2470444109382496,0.1791857994654239,0.2434805702145158,0.18153313686519087,0.21281097937084503
EOS-3-02365,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(C)c(F)c5)nc4)n23)cc1,ZKYADQIJCPRGCL-UHFFFAOYSA-N,3,1,0.343,62,3,438.466,4.327,5,0.452,0.89,1.0,0.21956171612637929,0.26673120416695223,0.7660458501816189,0.6709786854910561,0.48082936399150167
EOS-3-02366,O=C(c1ccc(-c2nnc3cncc(-c4ncc(F)c(C5CC5)n4)n23)cc1)N1CCCCC1,ASDPEFWOUYZRDW-UHFFFAOYSA-N,3,1,0.39,78,701,443.486,3.891,6,0.475,0.84,0.988,0.16943663902405592,0.13973511068466862,0.0006596532108834212,0.008738263313001165,0.07964241655815227
EOS-3-02367,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(C(F)(F)F)nn4)n23)nc1,JRJXQULFIYYTPE-UHFFFAOYSA-N,3,1,0.351,63,505,454.416,2.673,5,0.477,0.76,0.997,0.12268693029949969,0.20135700089096017,0.2982232197930231,0.28335960523610443,0.22640668905489686
EOS-3-02368,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5cnc(C)nc5)c4)n23)cc1C,DCSIXSOAAYPACX-UHFFFAOYSA-N,3,1,0.366,82,357,450.506,3.211,5,0.438,0.83,1.0,0.11745253923651566,0.03915941333698855,0.33120588033719417,0.17874031937495716,0.16663953807141388
EOS-3-02369,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)cc4)n23)cc1,CQFKXHDQWIBIKJ-UHFFFAOYSA-N,3,1,0.455,62,319,425.427,3.077,5,0.463,0.8,1.0,0.3362774998286615,0.17505654170379,0.5223596737715029,0.447647522445343,0.3703353094373244
EOS-3-02370,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(Cl)cn5)cn4)n23)cc1,SUMZKJSKPQKPKG-UHFFFAOYSA-N,3,1,0.388,14,357,442.87,2.986,5,0.443,0.77,1.0,0.17195531492015625,0.16639538071413884,0.394806730176136,0.35845726817901447,0.2729036734973614
EOS-3-02371,Cc1nc(Cl)ncc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,PEJXRZPIDUDHCU-UHFFFAOYSA-N,3,1,0.364,63,5,420.864,2.421,5,0.493,0.82,1.0,0.18345212802412447,0.20575183332191077,0.025854979096703447,0.05006510862860668,0.11628101226783634
EOS-3-02372,Cc1ccc(-c2nccnc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,QPICVFPQIZWBHS-UHFFFAOYSA-N,3,1,0.337,52,582,448.49,3.511,6,0.438,0.84,1.0,0.1312281543417175,0.042877458707422385,0.12264409567541636,0.1467685559591529,0.11087956617092729
EOS-3-02373,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)nn1,DVEGPMVYYAMZKH-UHFFFAOYSA-N,3,1,0.324,52,423,437.467,2.541,6,0.449,0.81,1.0,0.059051812761291206,0.020586320334452745,0.052643752998423686,0.07336714412994312,0.051412257556027685
EOS-3-02374,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c(Cl)c1,HDKLORJFNOWDDG-UHFFFAOYSA-N,3,1,0.639,48,406,451.889,4.098,5,0.457,0.84,1.0,0.5631982043725584,0.4988862997738332,0.5528921938181071,0.6769069974641903,0.5729709238571722
EOS-3-02375,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnc(F)cn5)c4)n23)nc1,IIPOPSMNYMSIFD-UHFFFAOYSA-N,3,1,0.292,52,523,452.453,3.342,6,0.435,0.83,1.0,0.13914399287231854,0.15489856761017065,0.22909670344733055,0.3079124117606744,0.20776291892262355
EOS-3-02376,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5c(C)nn(C)c5C)nn4C)n23)cc1,GRSBSBUUWSGQAD-UHFFFAOYSA-N,3,1,0.329,74,295,442.487,1.964,5,0.452,0.77,1.0,0.07816462202727709,0.03006990610650401,0.00872112946336783,0.0018932903844835858,0.029712236995408127
EOS-3-02377,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(F)c5)cnn4)n23)cc1F,MCOKDWLNXHTNPP-UHFFFAOYSA-N,3,1,0.326,74,768,444.405,2.948,5,0.454,0.78,1.0,0.2630131587965184,0.21062641354259476,0.6434617229799191,0.6158676581454321,0.4332422383661161
EOS-3-02378,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5COC5)cc4)n23)cc1,WSZKRRXTDHZIIR-UHFFFAOYSA-N,3,1,0.324,61,269,453.466,1.777,6,0.427,0.84,1.0,0.20564903022411074,0.07669111095881022,0.11965423891439929,0.11276643136179837,0.12869020286477967
EOS-3-02379,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncc(F)c5)cn4)n23)cc1,JYISOSXRMHJRAO-UHFFFAOYSA-N,3,1,0.402,85,357,426.415,2.472,5,0.458,0.76,1.0,0.2630217257213351,0.20576040024672743,0.3910715509560688,0.33926735658967855,0.29978025837845246
EOS-3-02380,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnc(F)c5)n4)n23)cc1,SVVDGPNUDQEMGR-UHFFFAOYSA-N,3,1,0.336,29,849,453.441,2.737,6,0.403,0.88,1.0,0.22507024878349668,0.17506510862860666,0.11966280583921596,0.16758618326365568,0.17184608662874376
EOS-3-02381,Cn1cnnc1-c1cccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,YFGRYABBPNFHPY-UHFFFAOYSA-N,3,1,0.333,52,647,451.494,2.465,6,0.422,0.8,1.0,0.06610239188540881,0.06171612637927489,0.04557604002467274,0.0659738880131588,0.05984211157562881
EOS-3-02382,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cccc(C(F)F)c4)n23)cc1,ODNUUJMZIIBRIY-UHFFFAOYSA-N,3,1,0.467,0,862,433.462,4.406,5,0.469,0.89,1.0,0.3707508052909328,0.31297546432732504,0.6606983757110547,0.6913508327050922,0.5089438695086012
EOS-3-02383,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)n5)c4)n23)cn1,SZYUHOROZSNYEM-UHFFFAOYSA-N,3,1,0.34,82,336,441.43,2.465,6,0.417,0.83,0.989,0.033171132890137754,0.1397436776094853,0.08619183058049483,0.14183400726475223,0.10023516208621752
EOS-3-02384,CC(C)(O)c1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,CVOVWXBWMGGKCR-UHFFFAOYSA-N,3,1,0.381,63,334,429.484,2.292,5,0.483,0.89,1.0,0.21957028305119594,0.1256339524364334,0.14008635460215202,0.0753375368377767,0.1401570317318895
EOS-3-02385,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4Cl)n23)cc1F,WQDFQCFRMKQGPL-UHFFFAOYSA-N,3,1,0.346,61,917,463.864,2.801,5,0.435,0.82,1.0,0.34094647385374544,0.4140480433143719,0.39481529710095264,0.4411280926598588,0.3977344767322322
EOS-3-02386,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(SC5CCC5)nc4)n23)cc1,VJQKPELEQZFZLS-UHFFFAOYSA-N,3,1,0.395,63,334,417.498,2.916,5,0.48,0.9,1.0,0.1666523884586389,0.06172469330409156,0.019095675416352546,0.04602152011513947,0.07337356932355561
EOS-3-02387,O=C(c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)cc1F)N1CCOCC1,FQNFBLXMLDKHEB-UHFFFAOYSA-N,3,1,0.473,66,751,468.439,3.326,5,0.447,0.84,1.0,0.12269549722431636,0.15865088067987115,0.2147899390034953,0.3874734425330683,0.22090243986018776
EOS-3-02388,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCOCC5)nc4)n23)cc1,LQRCYCKBIXTTMO-UHFFFAOYSA-N,3,1,0.463,0,829,483.532,2.142,6,0.447,0.95,1.0,0.0572698923994243,0.0009080940305667877,0.0024929751216503323,0.005337194160784045,0.016502038928106366
EOS-3-02389,Cc1nccc(Oc2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)nc2)n1,ZKIQHSZOALRBKG-UHFFFAOYSA-N,3,1,0.333,74,768,442.414,2.982,5,0.439,0.82,1.0,0.579818038516894,0.49410595572613253,0.4019858131725036,0.2891936810362552,0.44127587211294633
EOS-3-02390,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)c(F)c3)n12,MAQGENZCVOHNRE-UHFFFAOYSA-N,3,1,0.374,61,917,429.419,2.195,5,0.463,0.79,1.0,0.2195788499760126,0.2614711123295182,0.23619868412034817,0.22391371393324652,0.23529059008978137
EOS-3-02391,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)nc1,RCHHFYVNLPDORM-UHFFFAOYSA-N,3,1,0.269,52,523,435.451,2.598,6,0.447,0.79,1.0,0.10675245014049757,0.027337057089986978,0.1030429716948804,0.15431601672263726,0.09786212391200055
EOS-3-02392,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)cc1F,IRQQBPDTDWVMJW-UHFFFAOYSA-N,3,1,0.315,74,423,452.453,3.342,6,0.435,0.82,1.0,0.14185114111438557,0.19637105064765953,0.17760948529915702,0.25346960455075046,0.19232532040298816
EOS-3-02393,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(Cl)cn5)ncc4F)n23)cc1,GTOGHGYKARJNNO-UHFFFAOYSA-N,3,1,0.396,96,274,446.833,3.202,5,0.449,0.79,0.965,0.25239017202385033,0.2770629154958536,0.582319580563361,0.5729816325131931,0.4211885751490645
EOS-3-02394,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ncc(F)cn5)ncc4F)n23)cc1,WODPMOMITDMYDZ-UHFFFAOYSA-N,3,1,0.402,14,260,444.405,2.611,5,0.442,0.75,1.0,0.3137893221849085,0.22605544513741346,0.46703447330546227,0.4222380234391063,0.35727931601672264
EOS-3-02395,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5C)cc4)n23)cc1F,WHDNGQMRHCEVBS-UHFFFAOYSA-N,3,1,0.326,62,648,439.454,3.722,5,0.458,0.83,1.0,0.28727468987732163,0.26147967925433485,0.6465543828387362,0.546989582619423,0.43557458364745394
EOS-3-02396,CNC(=O)c1ccc(-c2nnc3cncc(-c4oc(C)nc4-c4ccc(F)cc4)n23)cc1,FUXHJYLQMHEGTJ-UHFFFAOYSA-N,3,1,0.392,62,3,428.427,3.92,5,0.466,0.86,1.0,0.3082893564526078,0.39995545199095334,0.4911332328147488,0.41274587074223834,0.4030309780001371
EOS-3-02397,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ncnc(OC)n5)c4)n23)cc1F,ANVBPELMMJOCRW-UHFFFAOYSA-N,3,1,0.306,82,859,457.429,2.213,5,0.422,0.87,1.0,0.4936433417860325,0.3182441230895758,0.2470444109382496,0.14414707696525256,0.30076973819477765
EOS-3-02398,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)nc(-c5ccccc5)n4)n23)cc1Cl,QQNLUPZNVODTKS-UHFFFAOYSA-N,3,1,0.36,29,704,456.897,3.632,5,0.439,0.84,1.0,0.27887053663217054,0.28219450346103764,0.2116801452950449,0.22392228085806318,0.24916686656157908
EOS-3-02399,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnc5F)c4)n23)cc1,XARRSLGDZRXPAB-UHFFFAOYSA-N,3,1,0.349,74,246,441.43,2.465,6,0.417,0.82,1.0,0.05547083818792406,0.14323898293468576,0.17445685696662325,0.2211808649167295,0.14858688575149065
EOS-3-02400,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,OYQBUTUICSFIQG-UHFFFAOYSA-N,3,1,0.317,52,423,436.479,3.146,6,0.454,0.81,1.0,0.13660818312658488,0.015617503940785416,0.0862003975053115,0.10582722226029745,0.08606332670824482
EOS-3-02401,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Br)cc4)n23)cc1)N1CCC(F)C1,JFQOEIRMRUWOKB-UHFFFAOYSA-N,3,1,0.408,0,901,466.314,4.405,5,0.449,0.92,1.0,0.2759235144952368,0.22068398327736274,0.23620725104516482,0.49061921732574876,0.3058584915358783
EOS-3-02402,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)no4)n23)cc1,GFCLSVCNKZLNED-UHFFFAOYSA-N,3,1,0.378,74,333,432.831,2.916,5,0.43,0.85,1.0,0.26303029264615174,0.2978548420259064,0.21828524432869578,0.2127938455212117,0.2479910561304914
EOS-3-02403,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C)nc4OC(F)(F)F)n23)cc1F,LYWGAZYFIYSYTQ-UHFFFAOYSA-N,3,1,0.323,68,861,447.352,2.954,4,0.48,0.75,1.0,0.5798266054417106,0.6395637721883353,0.8662531697621821,0.7025049688163937,0.6970371290521554
EOS-3-02404,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4cnc(F)cn4)nc3)n12,GMTPSONIXQJACM-UHFFFAOYSA-N,3,1,0.34,82,274,426.415,2.857,5,0.468,0.8,0.988,0.18918340072647521,0.20136556781577686,0.4238743060790898,0.33927592351449526,0.2884247995339593
EOS-3-02405,CCc1ncc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)s1,QFAKKGZZQKJTNU-UHFFFAOYSA-N,3,1,0.568,63,536,434.525,3.324,5,0.457,0.85,1.0,0.37075937221574945,0.1359142622164348,0.019104242341169215,0.022813720786786375,0.13714789939003497
EOS-3-02406,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccccn4)n23)cc1F,SSXIGKIWQWXUCF-UHFFFAOYSA-N,3,1,0.347,96,802,425.427,3.414,5,0.474,0.83,1.0,0.2682389829346858,0.27707148242067026,0.48092145843328077,0.4350198752655747,0.3653129497635529
EOS-3-02407,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)nc4)n23)cc1,OHINXRLAQISIDB-UHFFFAOYSA-N,3,1,0.5,89,731,441.455,1.92,5,0.424,0.82,1.0,0.4406740456445754,0.17919436639024056,0.16154650126790487,0.06282125968062505,0.21105904324583646
EOS-3-02408,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)cc4)n23)cc1,CPLKGYPDHAHFTD-UHFFFAOYSA-N,3,1,0.354,62,124,422.452,2.978,5,0.474,0.82,1.0,0.17756665067507368,0.05793811253512439,0.2982317867178398,0.2067541635254609,0.1851226783633747
EOS-3-02409,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(F)cn5)cc4OC)n23)cc1,LOMROAYUDCENCU-UHFFFAOYSA-N,3,1,0.379,74,139,456.441,2.818,5,0.429,0.81,1.0,0.4961620176821328,0.4230861489959564,0.4198307175656226,0.2593979165238846,0.3996192001918991
EOS-3-02410,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(Oc5ncccn5)cc4F)n23)cc1,RJHSMQLBBSRNSN-UHFFFAOYSA-N,3,1,0.345,74,139,442.414,2.934,5,0.441,0.84,1.0,0.5473151257624563,0.49889486669864985,0.34582962099924613,0.22707490919059695,0.40477863066273734
EOS-3-02411,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnn(Cc5cccc(F)c5)n4)n23)cc1,OAEQHAKXFHGKDO-UHFFFAOYSA-N,3,1,0.4,61,331,429.419,1.992,5,0.454,0.81,1.0,0.20565759714892742,0.2412960043862655,0.12514563772188336,0.13959803988760194,0.17792431978616957
EOS-3-02412,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4F)n23)c(F)c1,RKHMBITXGDYHRB-UHFFFAOYSA-N,3,1,0.36,61,252,446.421,2.892,5,0.455,0.79,1.0,0.2927146871359057,0.31298403125214175,0.5661452265094922,0.5068449729285176,0.41967222945651433
EOS-3-02413,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1)N1CCC1,GHVJONUCCAXLNE-UHFFFAOYSA-N,3,1,0.386,52,376,434.463,3.156,6,0.428,0.84,1.0,0.11175553423343157,0.03622952504968816,0.009260845726817901,0.033016928243437736,0.04756570831334384
EOS-3-02414,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnc5)cn4)n23)cc1,JORBJNLWNXDZJU-UHFFFAOYSA-N,3,1,0.355,52,916,449.478,2.521,6,0.419,0.79,1.0,0.10676101706531424,0.07669967788362689,0.09094647385374546,0.10797752038928106,0.0955961722979919
EOS-3-02415,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(N)=O)c(F)c4)n23)c(OC)n1,JBKCJOZJEMQJRV-UHFFFAOYSA-N,3,1,0.356,0,688,421.392,1.459,4,0.498,0.82,0.988,0.4887944623397985,0.3808255088753341,0.155069906106504,0.06598245493797547,0.27266808306490303
EOS-3-02416,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(C)ncn5)c4)n23)cc1C,YDOXOMPJGFCZQE-UHFFFAOYSA-N,3,1,0.287,74,333,425.456,2.41,5,0.47,0.82,0.999,0.005311493386334042,0.006493729011034199,0.17761805222397367,0.08585772051264479,0.06882024878349667
EOS-3-02417,CCn1nc(-c2cccc(F)c2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,NVRIAIBNUBYDJB-UHFFFAOYSA-N,3,1,0.376,61,124,442.458,3.235,5,0.448,0.83,1.0,0.11746110616133233,0.2463504900280995,0.13080837502570078,0.13723356863820163,0.15796338496333356
EOS-3-02418,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C(F)(F)c4ccc(F)c(F)c4)n23)cc1,MLUXDOYLFJMYGR-UHFFFAOYSA-N,3,1,0.479,0,646,441.388,4.102,5,0.474,0.81,1.0,0.40859091220615446,0.5535518470289905,0.969801590021246,0.9603437050236447,0.7230720135700089
EOS-3-02419,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4OC(F)F)n23)cn1,ZTJZKBDLSZFZTB-UHFFFAOYSA-N,3,1,0.387,63,334,453.453,3.092,5,0.44,0.84,0.996,0.24402028647796586,0.29786340895072305,0.29446233979850595,0.2892022479610719,0.2813870707970667
EOS-3-02420,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5CO)cc4)n23)cc1,KALWOBLHZRLYJU-UHFFFAOYSA-N,3,1,0.379,0,901,442.479,2.154,5,0.488,0.82,1.0,0.10429374271811391,0.006502295935850867,0.043854088136522515,0.0934651497498458,0.06202881913508327
EOS-3-02421,O=C(c1ccc(-c2nnc3cncc(Cc4ccc(F)c(C(F)F)c4)n23)cc1)N1CCOCC1,PPCRLBGGHDHNCN-UHFFFAOYSA-N,3,1,0.51,0,751,467.451,3.931,5,0.445,0.89,1.0,0.19457199643615927,0.2057689671715441,0.40897642382290456,0.5569700500308409,0.34157185936536216
EOS-3-02422,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)ns4)n23)cn1,SICSDKSMPWIHMG-UHFFFAOYSA-N,3,1,0.386,82,204,432.444,2.871,5,0.465,0.8,1.0,0.16944520594887258,0.24130457131108218,0.11368309231718182,0.12847817147556714,0.16322776026317593
EOS-3-02423,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccccc5Cl)ncn4)n23)cc1,RUSFYYPGXGTJBK-UHFFFAOYSA-N,3,1,0.424,62,319,455.909,3.852,5,0.432,0.86,1.0,0.21387327804811185,0.2978719758755397,0.5223682406963196,0.5035638407237338,0.3844193338359263
EOS-3-02424,Cc1noc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)n2)n1,NQFVSEFPBNPKLY-UHFFFAOYSA-N,3,1,0.33,52,423,456.441,3.243,6,0.427,0.84,1.0,0.27343053937358647,0.23100712768144746,0.09095504077856213,0.13724213556301829,0.18315871084915358
EOS-3-02425,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cc4)n23)cc1F,UYNXLAJODXLIPT-UHFFFAOYSA-N,3,1,0.402,66,685,455.415,4.432,5,0.452,0.9,1.0,0.45019189911589336,0.5443766705503392,0.9522222602974436,0.9427129737509423,0.7223759509286546
EOS-3-02426,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)nc5C)nc4)n23)nc1,QIJDDYZCTSSZJZ-UHFFFAOYSA-N,3,1,0.299,33,432,425.456,2.317,5,0.47,0.79,0.992,0.06611095881022548,0.033205400589404424,0.11967137276403263,0.05538516893975738,0.06859322527585497
EOS-3-02427,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(F)cc(C(F)F)n4)n23)cn1,GAPRDZFLXNPGRE-UHFFFAOYSA-N,3,1,0.36,63,66,425.374,3.217,5,0.527,0.74,1.0,0.19737338085120965,0.35694092248646425,0.4089849907477212,0.47553286272359674,0.3597080392022479
EOS-3-02428,Cc1nnc(-c2cccc(Cl)c2)nc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,XMYSCUQFQVIFHZ-UHFFFAOYSA-N,3,1,0.411,62,124,442.87,3.371,5,0.452,0.8,1.0,0.11176410115824824,0.24131313823589884,0.23995099719004867,0.295156260708656,0.22204612432321297
EOS-3-02429,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(C#N)nc5)n4)n23)cc1,DBHUAUNZWHIQAW-UHFFFAOYSA-N,3,1,0.333,29,849,434.423,1.937,5,0.448,0.77,1.0,0.2657631416626688,0.10270029470221369,0.19747618394900968,0.1284867384003838,0.173606589678569
EOS-3-02430,Cc1cnn(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,LSAKJQHNXALMNV-UHFFFAOYSA-N,3,1,0.33,62,302,435.491,3.845,6,0.453,0.87,1.0,0.0402388458638887,0.050270714824206704,0.12791275443766706,0.18966314851620864,0.10202136591049277
EOS-3-02431,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)nc1,HLOPKHJDWZVHIG-UHFFFAOYSA-N,3,1,0.284,63,759,476.447,2.232,6,0.469,0.82,0.832,0.22794873552189707,0.18316941950517443,0.03409636077033788,0.09156329244054554,0.13419445205948874
EOS-3-02432,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(OC)cc5)n4)n23)cc1,OJYNUQSLTBFYGW-UHFFFAOYSA-N,3,1,0.378,62,331,426.44,2.407,5,0.459,0.82,1.0,0.23607018024809814,0.13592282914125145,0.24705297786306626,0.12643067644438352,0.18636916592419986
EOS-3-02433,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(C(F)(F)F)n4)n23)cc1F,CAKSTZXHVLRHNA-UHFFFAOYSA-N,3,1,0.473,68,12,447.352,2.678,4,0.469,0.77,1.0,0.6546586937153039,0.6114214241655815,0.8758309917072168,0.6913593996299089,0.7083176273045029
EOS-3-02434,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)cc1F,BYAKUADNYVJNDG-UHFFFAOYSA-N,3,1,0.494,68,12,447.352,2.678,4,0.469,0.77,1.0,0.639932149955452,0.6114299910903982,0.8810054142964842,0.6913679665547255,0.705933880474265
EOS-3-02435,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)n1,VRCUIWZXTPSVHS-UHFFFAOYSA-N,3,1,0.33,74,423,456.445,2.075,6,0.426,0.81,1.0,0.16666095538345554,0.18317798642999109,0.03533856486875471,0.07911555068192722,0.11607326434103214
EOS-3-02436,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(F)nc5)c4)n23)cc1,ABYNUFXEJRVOCV-UHFFFAOYSA-N,3,1,0.387,62,738,425.427,3.414,5,0.443,0.87,1.0,0.252398738948667,0.19183058049482557,0.6743112192447399,0.5824823521348776,0.42525572270577755
EOS-3-02437,CCn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cn3)n12,OBRPFMQZFCIING-UHFFFAOYSA-N,3,1,0.319,74,523,425.456,2.491,5,0.46,0.84,1.0,0.05219827290795696,0.08361318621067781,0.01736515660338565,0.011959427044068261,0.04128401069152217
EOS-3-02438,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)cc5)o4)n23)cc1,CUQCCRAWSIAWSI-UHFFFAOYSA-N,3,1,0.372,62,302,441.426,3.54,6,0.444,0.87,1.0,0.2332602289082311,0.2719056267562196,0.21168871221986155,0.31419196765129187,0.25776163388390105
EOS-3-02439,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(C#N)cn5)c4)n23)cc1F,CPPXSIVKBIIBTO-UHFFFAOYSA-N,3,1,0.356,74,648,450.437,3.286,5,0.446,0.82,1.0,0.23326879583304777,0.22606401206223015,0.7294822150640806,0.6623346583510383,0.46278742032759923
EOS-3-02440,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ncccc5F)ncn4)n23)cc1C,CWQWJMPLDXALHS-UHFFFAOYSA-N,3,1,0.37,14,357,454.469,3.041,5,0.435,0.81,1.0,0.24402885340278255,0.2013741347405935,0.3126756219587417,0.23584744020286477,0.24848151257624562
EOS-3-02441,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(C)nc5)c4)n23)cc1,FBROICOKLIVWRO-UHFFFAOYSA-N,3,1,0.337,82,738,422.452,2.978,5,0.474,0.85,1.0,0.17757521759989034,0.03916798026180522,0.3838582002604345,0.24174148447673224,0.2105857206497156
EOS-3-02442,COc1cc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccn1,XKEGKANPOQYAAD-UHFFFAOYSA-N,3,1,0.553,63,536,448.458,2.848,5,0.442,0.81,1.0,0.4986721266534165,0.15490713453498733,0.25432629703241727,0.22393084778287986,0.28295910150092524
EOS-3-02443,O=C(NC1COC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnco5)c4)n23)cc1,BIECNDDXEICKGJ-UHFFFAOYSA-N,3,1,0.333,62,517,439.435,2.637,6,0.444,0.82,1.0,0.17758378452470702,0.05794667945994106,0.320171681173326,0.2534781714755671,0.2022950791583853
EOS-3-02444,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)c(F)c1,JVDBUPYPQMAZMU-UHFFFAOYSA-N,3,1,0.355,61,269,454.429,2.041,5,0.398,0.87,1.0,0.26824754985950244,0.2667397710917689,0.3164707696525255,0.2921321362483723,0.2858975567130423
EOS-3-02445,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)cc1)N1CC(F)C1,SCWASRDXZRSINX-UHFFFAOYSA-N,3,1,0.346,62,376,451.465,3.709,6,0.414,0.88,1.0,0.2682561167843191,0.19637961757247618,0.1840004112123912,0.2951648276334727,0.23595024330066477
EOS-3-02446,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)nn5)no4)n23)cc1,JJACFCORWIEYMC-UHFFFAOYSA-N,3,1,0.345,74,295,443.402,2.33,6,0.434,0.82,1.0,0.25743609074086765,0.2013827016654102,0.03804571311082174,0.07337571105475979,0.14256005414296485
EOS-3-02447,N#Cc1ccc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)nc1,ICXLLHXPWPCDNA-UHFFFAOYSA-N,3,1,0.424,62,139,436.41,3.025,5,0.457,0.8,1.0,0.2734391062984031,0.27191419368103625,0.7037214721403605,0.6450808717702693,0.4735389109725173
EOS-3-02448,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cn5)n34)cc2)n1,GSIMZQKXEQBWHL-UHFFFAOYSA-N,3,1,0.33,52,302,458.485,3.679,6,0.426,0.87,1.0,0.1861849770406415,0.18318655335480777,0.3201802480981427,0.36841203481598245,0.2644909533273936
EOS-3-02449,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)cc1F,NDDMTESWSQSECM-UHFFFAOYSA-N,3,1,0.33,74,768,427.403,2.204,5,0.463,0.77,1.0,0.2497344253306833,0.187564251936125,0.36843773559043247,0.3110479062435748,0.2791960797752039
EOS-3-02450,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)c5)cn4)n23)nc1,GSYVFIYDXJGRMJ-UHFFFAOYSA-N,3,1,0.392,46,943,456.441,2.721,5,0.414,0.83,1.0,0.5038037146186005,0.34711465972174627,0.32018881502295937,0.25348673840038377,0.35614848194092247
EOS-3-02451,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(CF)cn4)n23)nc1,DZSUVKLSCQAUJC-UHFFFAOYSA-N,3,1,0.43,63,108,420.408,1.917,5,0.481,0.85,1.0,0.27593208142005343,0.13975224453430196,0.034104927695154545,0.040838530601055446,0.12265694606264135
EOS-3-02452,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)on1,RJSIMZFTMSTHOJ-UHFFFAOYSA-N,3,1,0.326,82,204,438.451,3.104,6,0.444,0.87,1.0,0.13123672126653416,0.08993557672537866,0.06217874031937496,0.07534610376259337,0.08967428551847029
EOS-3-02453,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,PCLSCAIRUYFKDW-UHFFFAOYSA-N,3,1,0.556,90,636,438.9,3.381,4,0.443,0.86,1.0,0.7280172709204304,0.5168254403399356,0.45985539030909467,0.4029367418271537,0.5269087108491536
EOS-3-02454,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(C)c5)cn4)n23)nc1,ZQZUPRCZWZGOFM-UHFFFAOYSA-N,3,1,0.307,82,776,422.452,2.978,5,0.474,0.84,1.0,0.15058940442738675,0.06173326022890823,0.27982146528682067,0.18154170379000753,0.1684214584332808
EOS-3-02455,Cc1nc(-c2ccncc2)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,PXCFDHDQYBLRQH-UHFFFAOYSA-N,3,1,0.327,52,517,448.49,3.511,6,0.438,0.85,1.0,0.07817318895209376,0.014246795970118567,0.14291343979165239,0.15977314783085464,0.09877664313617984
EOS-3-02456,NC(=O)c1ccc(-c2nnc3cncc(OCc4c(Cl)ccc(F)c4Cl)n23)nc1,IGNUBYMAAZYPOR-UHFFFAOYSA-N,3,1,0.442,90,244,433.23,3.31,4,0.484,0.78,1.0,0.6609810842300048,0.4989034336234665,0.782057432663971,0.8096086628743746,0.6878876533479543
EOS-3-02457,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc1F,KDXRVQZALOIGMM-UHFFFAOYSA-N,3,1,0.494,68,12,429.362,2.597,4,0.502,0.73,1.0,0.5549653896237406,0.5260948529915701,0.6796398464807073,0.5068535398533343,0.5668884072373381
EOS-3-02458,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cn1,XMGHDBXJUZNWRB-UHFFFAOYSA-N,3,1,0.398,89,310,452.478,3.271,6,0.421,0.85,1.0,0.3616955657597149,0.12191590706599958,0.20815057227057776,0.1703190322801727,0.21552026934411622
EOS-3-02459,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)cc1,WECQORAHBBIXGB-UHFFFAOYSA-N,3,1,0.376,14,357,436.479,2.984,5,0.436,0.78,1.0,0.1253426769926667,0.03917654718662189,0.28370228222877114,0.18414604893427455,0.15809188883558356
EOS-3-02460,O=C(NC1CCC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,ZCNYRBQWHOKCBG-UHFFFAOYSA-N,3,1,0.605,63,536,448.914,3.744,5,0.433,0.87,1.0,0.6670893016242889,0.45421835377972725,0.1646819957508053,0.27429579878006993,0.39007136248372287
EOS-3-02461,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)cnc5F)c4)n23)cc1,OTBRXKQLMARQKX-UHFFFAOYSA-N,3,1,0.339,74,246,458.432,3.209,6,0.406,0.88,1.0,0.08251661983414434,0.18319512027962442,0.3838667671852512,0.45391851141114387,0.27587425467754095
EOS-3-02462,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)n5)c4)n23)cc1,IFNOQJKGVFKMGG-UHFFFAOYSA-N,3,1,0.33,74,246,428.431,2.928,5,0.432,0.84,1.0,0.028365088067987116,0.09636077033787951,0.3274107326434103,0.2534953053252005,0.17640797409361936
EOS-3-02463,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cc1F,OIURLAQRDGAJSK-UHFFFAOYSA-N,3,1,0.333,52,802,451.465,3.947,6,0.435,0.88,1.0,0.20861318621067781,0.22069255020217943,0.364736824069632,0.4539270783359605,0.31199240970461245
EOS-3-02464,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cccnc5)c4)n23)cc1,NZWUTVVNJFSJGE-UHFFFAOYSA-N,3,1,0.333,62,517,433.475,3.808,6,0.453,0.85,1.0,0.15857377835652114,0.042886025632239054,0.29824035364265644,0.34885374545952985,0.21213847577273662
EOS-3-02465,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cc1,TVZPYSYPBKEYDM-UHFFFAOYSA-N,3,1,0.333,62,582,433.475,3.808,6,0.453,0.85,1.0,0.1283068329792338,0.05795524638475773,0.24348913713933246,0.28921081488588857,0.17974050784730314
EOS-3-02466,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4C)n23)cc1F,CKXXZPWQTPDSHG-UHFFFAOYSA-N,3,1,0.366,82,648,440.442,3.117,5,0.457,0.79,1.0,0.24162154752929887,0.24635905695291618,0.4704955109313961,0.36527654033308204,0.3309381639366733
EOS-3-02467,CNC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cn1,XTDFRGKUXKKMCJ-UHFFFAOYSA-N,3,1,0.495,90,555,430.802,3.057,4,0.489,0.76,1.0,0.8271280241244603,0.721994722774313,0.744868412034816,0.7025135357412103,0.7491261736686998
EOS-3-02468,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnn(-c5ccc(F)cn5)c4)n23)cc1,RTSVNDPSUVMLGO-UHFFFAOYSA-N,3,1,0.394,52,916,454.469,2.994,6,0.423,0.81,1.0,0.09437324378041258,0.154915701459804,0.19748475087382633,0.2566565005825509,0.17585754917414845
EOS-3-02469,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccn5)n4)n23)cc1F,CJXRUSRMRPXMKL-UHFFFAOYSA-N,3,1,0.333,74,802,426.415,2.809,5,0.47,0.82,1.0,0.22795730244671372,0.21063498046741141,0.31268418888355837,0.26571174011376875,0.25424705297786304
EOS-3-02470,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnccn5)c4)n23)cc1,NBDHRCLKMZYCJX-UHFFFAOYSA-N,3,1,0.333,74,517,422.452,3.06,5,0.463,0.85,1.0,0.14456685628126928,0.022847988486053045,0.2686758961003358,0.1815502707148242,0.1544102528956206
EOS-3-02471,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnn(C)n5)nc(C)c4F)n23)cc1,UDFSZWIYGADSHI-UHFFFAOYSA-N,3,1,0.35,61,333,444.434,1.851,5,0.445,0.76,1.0,0.19738194777602633,0.17041326845315605,0.09535844013432938,0.0597457336714413,0.13072484750873825
EOS-3-02472,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccc(Cl)c5)n4)n23)cc1,WFWVUGGGTWMVTB-UHFFFAOYSA-N,3,1,0.419,96,837,427.855,3.668,5,0.468,0.84,1.0,0.1505979713522034,0.20577753409636076,0.569477760263176,0.6066667808923308,0.3831300116510178
EOS-3-02473,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)nc4)n23)cc1,RNPWREIUCSBSLS-UHFFFAOYSA-N,3,1,0.5,89,770,438.451,2.582,5,0.43,0.82,1.0,0.6546672606401206,0.2614882461791515,0.21169727914467823,0.11277499828661504,0.3101569460626414
EOS-3-02474,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nc4)n23)cc1,WVXQZICTNFUDTH-UHFFFAOYSA-N,3,1,0.554,89,731,438.451,2.582,5,0.43,0.82,1.0,0.6369080254951682,0.20139126859022685,0.320197381947776,0.17574189568912343,0.33355964293057366
EOS-3-02475,CCc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC)cc5)n34)nc2)nn1,HGWPPODIAHSIAU-UHFFFAOYSA-N,3,1,0.333,62,139,436.479,3.232,5,0.45,0.81,1.0,0.11990267973408265,0.07316153793434309,0.22534439037763004,0.13283873620725103,0.1378118360633267
EOS-3-02476,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnc(C)nc5)c4)n23)cn1,MTHLXPIRDRIWRN-UHFFFAOYSA-N,3,1,0.322,82,514,437.467,2.763,5,0.445,0.8,1.0,0.1585823452813378,0.06582825029127544,0.11691282297306559,0.05975430059625797,0.1002694297854842
EOS-3-02477,O=C(c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1)N1CCOCC1,AFLWBNFYRVFMRT-UHFFFAOYSA-N,3,1,0.674,0,378,467.888,3.635,5,0.446,0.89,1.0,0.45259063806456035,0.2106435473922281,0.18400897813720787,0.3842008772531012,0.30786101021177437
EOS-3-02478,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cc4)n23)cc1C,COJGMWJWVYDMBB-UHFFFAOYSA-N,3,1,0.325,62,124,423.48,3.527,5,0.478,0.86,1.0,0.10676958399013091,0.04664690562675622,0.5013878418203002,0.35212631073949696,0.2517326605441711
EOS-3-02479,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5)n4C)n23)cc1,PVQXTHYALNHDOR-UHFFFAOYSA-N,3,1,0.33,74,333,425.456,2.399,5,0.46,0.82,1.0,0.08690288534027825,0.03623809197450483,0.04558460694948941,0.033025495168254405,0.05043776985813172
EOS-3-02480,CCn1c(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)cnc1C(F)(F)F,JZNDTIVLSMBDAO-UHFFFAOYSA-N,3,1,0.44,68,457,432.366,2.099,4,0.494,0.76,1.0,0.36847200328969915,0.25627098896580086,0.38387533411006786,0.18673326022890824,0.29883789664861904
EOS-3-02481,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)cn1)N1CCC1,WYONQGKKXYENIN-UHFFFAOYSA-N,3,1,0.425,78,829,470.493,1.567,6,0.441,0.85,1.0,0.02940168597080392,0.004077856212733877,3.4267699266671235e-05,5.140154890000685e-05,0.008391302857926119
EOS-3-02482,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cc4Cl)n23)cc1,CJORNRGMBPKJAA-UHFFFAOYSA-N,3,1,0.404,62,740,456.897,3.247,5,0.432,0.8,1.0,0.29552463847577276,0.24132170516071552,0.5359810842300048,0.48753512439174834,0.39009063806456035
EOS-3-02483,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)cn1,BGZUSCYKARCIJY-UHFFFAOYSA-N,3,1,0.269,33,432,437.467,2.541,6,0.449,0.8,1.0,0.052206839832773626,0.0362466588993215,0.08379309163182784,0.09742306901514633,0.06741741484476732
EOS-3-02484,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1,JNXCZDLXIPHFEX-UHFFFAOYSA-N,3,1,0.373,62,341,452.453,3.342,6,0.435,0.82,1.0,0.2602803097800014,0.20578610102117745,0.3762850387225002,0.4505774107326434,0.3232322150640806
EOS-3-02485,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cc2)nn1,LLMQGOYKGZYWDB-UHFFFAOYSA-N,3,1,0.267,52,523,449.478,2.906,6,0.434,0.81,1.0,0.08949009663491193,0.03625522582413817,0.06820128846549242,0.09347371667466246,0.07185508189980125
EOS-3-02486,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(CO)n4)n23)c(F)c1,DIMGXIUBVHVAJS-UHFFFAOYSA-N,3,1,0.396,63,9,418.432,2.301,5,0.498,0.9,1.0,0.2630388595709684,0.21554382838736208,0.21829381125351244,0.2743043657048866,0.24279521622918238
EOS-3-02487,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cccnc5)nn4)n23)cc1,PBVXDWHWAZXMEG-UHFFFAOYSA-N,3,1,0.404,14,357,440.442,2.733,5,0.447,0.76,1.0,0.2360787471729148,0.2013998355150435,0.3202059488725927,0.26572030703858546,0.2558512096497841
EOS-3-02488,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnn(C)c5)cn4)n23)cc1,DJCJXXJQYHNOBN-UHFFFAOYSA-N,3,1,0.385,14,357,424.468,2.537,5,0.465,0.8,1.0,0.09920498937701323,0.05392879172092386,0.312692755808375,0.1757504626139401,0.16039424988006307
EOS-3-02489,N#Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,JFWIFVOBZSKFJY-UHFFFAOYSA-N,3,1,0.312,52,246,447.462,2.803,6,0.439,0.81,1.0,0.03714618600507162,0.09310533890754574,0.17762661914879035,0.2270834761154136,0.13374040504420534
EOS-3-02490,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cc5)ns4)n23)cc1F,NXDRVIJHIHXIIO-UHFFFAOYSA-N,3,1,0.37,96,837,449.446,3.615,5,0.45,0.84,1.0,0.2574446576656843,0.3808340758001508,0.44572853128640944,0.4755414296484134,0.38988717360016445
EOS-3-02491,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cnc(C(F)(F)F)nn4)n23)cn1,ZCVPOTIHPDRZEJ-UHFFFAOYSA-N,3,1,0.374,68,455,455.404,2.068,5,0.469,0.75,1.0,0.20566616407374408,0.23101569460626414,0.07473785210060996,0.08417003632376122,0.14889743677609485
EOS-3-02492,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(C)nn5)ccc4F)n23)cn1,RFMWIMMECTZVJF-UHFFFAOYSA-N,3,1,0.333,82,336,441.43,2.512,5,0.451,0.77,1.0,0.2710318004249195,0.24133027208553218,0.23995956411486533,0.1948804057295593,0.23680051058871907
EOS-3-02493,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4cnc(-c5ccccc5)nn4)n23)cc1,RTHWAKJKWXMSQJ-UHFFFAOYSA-N,3,1,0.429,62,637,450.462,3.328,6,0.418,0.87,1.0,0.4740336508806799,0.18757281886094168,0.10305153861969707,0.12849530532520045,0.22328832842162977
EOS-3-02494,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnn(C(F)F)n5)n4)n23)cc1,ZAQVZAKHWLMAJG-UHFFFAOYSA-N,3,1,0.35,74,423,448.397,2.262,5,0.434,0.78,1.0,0.17759235144952368,0.16640394763895552,0.13369542868891782,0.08958433280789528,0.14181901514632306
EOS-3-02495,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5C)n4)n23)cc1F,WJYGMPXODCWZSY-UHFFFAOYSA-N,3,1,0.336,74,768,440.442,3.117,5,0.457,0.78,1.0,0.2114145706257282,0.22070111712699608,0.39855904324583646,0.30792097868549106,0.28464892742101294
EOS-3-02496,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)n1,QWQXKBFJDZMMIK-UHFFFAOYSA-N,3,1,0.315,50,974,439.443,1.331,6,0.429,0.81,1.0,0.11474539099444864,0.03626379274895483,0.007513193064217668,0.008387019395517784,0.04172734905078473
EOS-3-02497,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2)n1,IHVBUPODSIDJSX-UHFFFAOYSA-N,3,1,0.324,74,295,439.443,1.331,6,0.429,0.81,1.0,0.1891919676512919,0.020594887259269414,0.008292783222534439,0.010999931464601466,0.0572698923994243
EOS-3-02498,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5F)n4)n23)cc1,GLEQQGSBKQKCGV-UHFFFAOYSA-N,3,1,0.345,29,704,451.425,2.703,5,0.403,0.86,1.0,0.28174045644575424,0.30281509149475705,0.3684463025152491,0.3455897471043794,0.32464789939003497
EOS-3-02499,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)nc4)n23)cn1,QCQMUPIKKSCORN-UHFFFAOYSA-N,3,1,0.34,52,60,449.478,2.521,6,0.419,0.82,0.885,0.08691145226509492,0.042894592557055716,0.048814337605373175,0.06952916181207594,0.06203738605989994
EOS-3-02500,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(F)c5)ncn4)n23)cc1,RFPOMJHJBCJLTF-UHFFFAOYSA-N,3,1,0.484,1,347,455.453,3.326,5,0.418,0.85,1.0,0.6399407168802687,0.44085395106572545,0.5593859228291412,0.44113665958467546,0.5203293125899527
EOS-3-02501,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C)n5)cc4)n23)cc1,IOHCHRCFIPZIJQ-UHFFFAOYSA-N,3,1,0.537,89,637,440.467,2.525,5,0.432,0.85,1.0,0.5827393598793777,0.22070968405181277,0.3237440888218765,0.17032759920498938,0.3243801829895141
EOS-3-02502,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nn4)n23)cc1,JXEZGQJRMUPIFL-UHFFFAOYSA-N,3,1,0.355,52,916,449.478,2.521,6,0.419,0.79,1.0,0.10430230964293058,0.030078473031320677,0.08380165855664451,0.10798608731409773,0.08154213213624836
EOS-3-02503,CCn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)ccn1,KOSKAUNZPJIIHW-UHFFFAOYSA-N,3,1,0.311,74,333,426.444,1.886,5,0.451,0.81,1.0,0.09438181070522925,0.030087039956137346,0.03030121307655404,0.019575423206085945,0.04358637173600164
EOS-3-02504,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1)N1CCOCC1,FBJMXFZHXIZVPO-UHFFFAOYSA-N,3,1,0.469,62,376,452.474,3.586,6,0.411,0.89,1.0,0.05547940511274073,0.002741415941333699,0.048822904530189844,0.1220187101637996,0.057265608937015974
EOS-3-02505,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,UERPBRGZHYRFNG-UHFFFAOYSA-N,3,1,0.704,48,378,417.444,3.444,5,0.498,0.91,1.0,0.685396819957508,0.3028236584195737,0.40564389006922075,0.4632050579124118,0.4642673565896786
EOS-3-02506,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccc(F)nc5)ncn4)n23)cc1,WSBZMFYRHWQZSZ-UHFFFAOYSA-N,3,1,0.379,14,357,440.442,2.733,5,0.418,0.8,1.0,0.24163011445411556,0.19638818449729284,0.41983928449043934,0.31715612363785894,0.29375342676992666
EOS-3-02507,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccnc5F)c4)n23)cc1F,UWOLPFCIEHXWJT-UHFFFAOYSA-N,3,1,0.337,96,648,443.417,3.553,5,0.427,0.87,1.0,0.2734476732232198,0.26674833801658554,0.7682475498595024,0.7162548831471455,0.5061746110616133
EOS-3-02508,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(OC)cn4)n23)cc1,NEIASYOWJWUMTJ-UHFFFAOYSA-N,3,1,0.345,62,139,437.463,3.284,5,0.45,0.82,1.0,0.41756904941402234,0.16641251456377218,0.379977383318484,0.22393941470769652,0.2969745905009938
EOS-3-02509,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)cc1,VJAYCSAMAMCZEH-UHFFFAOYSA-N,3,1,0.385,14,357,422.452,2.594,5,0.463,0.81,1.0,0.15859091220615448,0.0617418271537249,0.3385049002809951,0.23010760057569735,0.19723631005414297
EOS-3-02510,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cccs5)n4)n23)cc1,ZHRWDMMZNOAOTD-UHFFFAOYSA-N,3,1,0.511,89,731,429.465,2.988,5,0.44,0.88,1.0,0.6171783976423822,0.3370228222877116,0.18064217668425742,0.11972277431293263,0.31364154273182093
EOS-3-02511,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)cn4)n23)cc1,FZAPFMXOFRGBPJ-UHFFFAOYSA-N,3,1,0.403,62,139,425.427,3.414,5,0.443,0.88,1.0,0.2167089301624289,0.2014084024398602,0.6282297306558837,0.5266517031046536,0.3932496915907066
EOS-3-02512,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(C)(C)C)nn4)n23)c(F)c1,KRQMIKJVPCGGJT-UHFFFAOYSA-N,3,1,0.472,63,12,435.463,2.957,4,0.513,0.75,1.0,0.4431070522925091,0.4230947159207731,0.3420259063806456,0.10583578918511412,0.32851586594476045
EOS-3-02513,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4Cl)n23)cc1F,GTRMGKDCZMLKHA-UHFFFAOYSA-N,3,1,0.609,23,721,457.868,4.094,4,0.452,0.85,1.0,0.7836937153039545,0.6445154547323693,0.8186553354807758,0.7944452059488726,0.7603274278664931
EOS-3-02514,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cc4F)n23)cc1F,OMWSPSFNVSJRFO-UHFFFAOYSA-N,3,1,0.404,14,319,457.444,3.477,5,0.434,0.81,1.0,0.36170413268453155,0.31825269001439244,0.7371924473990816,0.6829124117606744,0.52501542046467
EOS-3-02515,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4)n23)cn1,MYMBLRGIVKBLEK-UHFFFAOYSA-N,3,1,0.385,96,204,425.427,3.414,5,0.474,0.82,0.971,0.26826468370913575,0.3129925981769584,0.4530875197039271,0.44114522650949217,0.36887250702487834
EOS-3-02516,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5nnnn5C)c4)n23)cc1F,DQTRWADBMOXAAR-UHFFFAOYSA-N,3,1,0.326,74,413,430.407,1.542,5,0.455,0.78,1.0,0.20567473099856076,0.1832036872044411,0.15221712014255362,0.13960660681241863,0.17017553628949353
EOS-3-02517,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5nnnn5C)cc4F)n23)cc1,CDGBYICUWDOXQQ-UHFFFAOYSA-N,3,1,0.422,85,784,444.434,1.466,5,0.431,0.77,1.0,0.18619354396545815,0.21065211431704475,0.08620896443012815,0.06776437529984237,0.13770474950311837
EOS-3-02518,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5C)nn4)n23)cc1C,MSJDFNFSABZRBG-UHFFFAOYSA-N,3,1,0.32,63,546,456.51,2.541,5,0.501,0.73,1.0,0.08040058940442739,0.011813789322184909,0.0051058871907340144,0.0046604071002672885,0.0254951682544034
EOS-3-02519,CCC1CN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cc2)CCO1,UVYVJCMTMUXWGO-UHFFFAOYSA-N,3,1,0.333,0,782,457.494,2.203,5,0.486,0.75,0.999,0.030635323144404085,0.001336440271400178,0.01454663833870194,0.021134603522719484,0.016913251319306422
EOS-3-02520,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cnc1F,WHTNJWMDZSOPQJ-UHFFFAOYSA-N,3,1,0.535,63,536,418.432,3.105,5,0.484,0.9,1.0,0.542140703173189,0.17507367555342335,0.32375265574669315,0.29836885751490644,0.334833972997053
EOS-3-02521,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC(C)(C)C)cn4)n23)cc1,KDLJBYDDFFPLLU-UHFFFAOYSA-N,3,1,0.295,61,917,454.498,2.572,5,0.439,0.84,1.0,0.07604859159756014,0.06583681721609211,0.0909636077033788,0.027140017819203617,0.06499725858405866
EOS-3-02522,CCCc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC(F)F)cc4)n23)nn1,SWVYVNXKAQXHIV-UHFFFAOYSA-N,3,1,0.363,66,999,423.427,3.196,4,0.49,0.84,1.0,0.20032896991296004,0.13593139606606813,0.32741929956822696,0.24750702487834966,0.2277966726064012
EOS-3-02523,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cnc(F)c(F)c5)nn4)n23)cc1,LICNRVTUXLGSSY-UHFFFAOYSA-N,3,1,0.348,74,997,433.382,2.072,5,0.432,0.83,1.0,0.03867109862243849,0.1359399629908848,0.4308906175039408,0.3684206017407991,0.2434805702145158
EOS-3-02524,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)nc5)c4)n23)cc1,CXFGPJXDAOMRQJ-UHFFFAOYSA-N,3,1,0.336,74,246,440.442,3.07,6,0.422,0.82,1.0,0.04593585086697279,0.1322647522445343,0.3017356589678569,0.35510760057569735,0.20876096566376534
EOS-3-02525,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cc1)N1CCOCC1,CPRGBQRVZVRWNG-UHFFFAOYSA-N,3,1,0.44,52,376,463.501,3.388,6,0.403,0.9,1.0,0.020594887259269414,0.0010879994517168118,0.03670070591460489,0.10158659447604688,0.039992546775409504
EOS-3-02526,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccn(C)n5)n4)n23)cc1,PAILUCLGXNQEJI-UHFFFAOYSA-N,3,1,0.364,74,139,428.431,2.753,5,0.472,0.8,1.0,0.14457542320608593,0.21555239531217874,0.3237612226715098,0.2417500514015489,0.23140977314783084
EOS-3-02527,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)cc1F,UEADQZUABAUKBA-UHFFFAOYSA-N,3,1,0.354,62,648,430.468,4.081,5,0.464,0.85,1.0,0.27104036734973613,0.2513621410458502,0.6578370228222877,0.6005071619491468,0.4451866732917552
EOS-3-02528,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(C)n5)cn4)n23)cc1,VGFISRURVQVASC-UHFFFAOYSA-N,3,1,0.357,62,139,421.464,3.583,5,0.476,0.88,1.0,0.14458399013090262,0.0579638133095744,0.4056524569940374,0.27431293262970324,0.22062829826605443
EOS-3-02529,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4Cl)n23)cc1F,MHBVZYZNGFDPIY-UHFFFAOYSA-N,3,1,0.446,23,646,448.26,4.327,4,0.472,0.81,1.0,0.41088684805702147,0.5168340072647523,0.9480073332876431,0.9546724007950106,0.7076001473511069
EOS-3-02530,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cc1)N1CCOCC1,QFXZXEVWOPYUHJ-UHFFFAOYSA-N,3,1,0.408,52,376,463.501,3.388,6,0.403,0.91,1.0,0.011908025495168255,0.0002655746693167021,0.03534713179357138,0.10380542800356383,0.03783153999040505
EOS-3-02531,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccncc5)c4)n23)c(Cl)c1,LERYXFUQRGUSFM-UHFFFAOYSA-N,3,1,0.396,14,319,441.882,3.591,5,0.446,0.8,1.0,0.20568329792337742,0.22071825097662942,0.5981940922486464,0.5916746624631622,0.40406757590295383
EOS-3-02532,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4C)n23)nc1,KGZIJHIWWCHLGW-UHFFFAOYSA-N,3,1,0.292,74,917,426.444,1.712,5,0.46,0.79,1.0,0.10915975601398122,0.07317010485915976,0.06017407991227469,0.034087793845521214,0.06914793365773422
EOS-3-02533,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cccc(F)c5)c4)n23)cn1,HDZIAQHKXBJAPV-UHFFFAOYSA-N,3,1,0.387,96,558,428.402,3.897,5,0.468,0.83,1.0,0.21388184497292853,0.24133883901034883,0.7992598176958399,0.8280703858542937,0.5206377218833527
EOS-3-02534,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)cc4F)n23)cn1,DITUIOGMCHYZCP-UHFFFAOYSA-N,3,1,0.357,96,204,425.427,3.414,5,0.474,0.81,0.994,0.29818038516893974,0.27708004934548697,0.4564885888561442,0.43502844219039133,0.36669436639024056
EOS-3-02535,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5cnn(C)c5)n4)n23)cc1,BFQKNHXERFXMAM-UHFFFAOYSA-N,3,1,0.353,74,333,429.419,2.148,5,0.465,0.76,1.0,0.20033753683777672,0.17920293331505724,0.19407511479679254,0.13054280035638408,0.17603959632650265
EOS-3-02536,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)ncn4)n23)cc1,SDBOALSAUBGCJO-UHFFFAOYSA-N,3,1,0.395,74,333,427.403,2.204,5,0.463,0.79,1.0,0.2138904118977452,0.15492426838462064,0.2944709067233226,0.21567233225961208,0.21973947981632513
EOS-3-02537,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)cc(Cl)n4)n23)cn1,IAWHVJBERMWRGU-UHFFFAOYSA-N,3,1,0.43,66,455,433.781,2.943,4,0.495,0.72,1.0,0.34095504077856215,0.4673171818244123,0.8915769995202522,0.8201374134740593,0.6299966588993214
EOS-3-02538,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cncc(F)c5)nn4)n23)cc1F,ZCYCLGFWYKUPII-UHFFFAOYSA-N,3,1,0.315,74,997,433.382,2.072,5,0.461,0.77,1.0,0.06611952573504215,0.14324754985950244,0.42388287300390654,0.40949900623672125,0.26068723870879307
EOS-3-02539,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)ns4)n23)c(C)c1,VKLCINVHKCPGAG-UHFFFAOYSA-N,3,1,0.333,62,124,427.493,3.645,5,0.47,0.86,1.0,0.11177266808306491,0.09311390583236241,0.1337039956137345,0.1038139949283805,0.11060114111438557
EOS-3-02540,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C(F)(F)F)c4)n23)cn1,TYBAWNYZUYYYHV-UHFFFAOYSA-N,3,1,0.517,68,12,446.364,3.283,4,0.473,0.82,1.0,0.930290932766774,0.8084264272496745,0.955049345486944,0.8645055170995819,0.8895680556507437
EOS-3-02541,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnn(-c5ccc(F)cc5)c4)n23)nc1,JFCKTHKRKDEPPT-UHFFFAOYSA-N,3,1,0.369,33,647,454.469,2.994,6,0.423,0.81,0.996,0.03442190391337126,0.10938249605921459,0.18722157494345829,0.27739702556370366,0.15210575011993693
EOS-3-02542,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)cc1F,ZBZQEKNYFUPRNL-UHFFFAOYSA-N,3,1,0.347,52,802,451.465,3.947,6,0.435,0.87,1.0,0.2056918648481941,0.2260725789870468,0.4273182098553903,0.5068621067781509,0.34148619011719555
EOS-3-02543,O=C(NCCO)c1ccc(-c2nnc3cncc(Cc4cnc(CF)nc4)n23)cc1F,YYHBPRSSROAXMU-UHFFFAOYSA-N,3,1,0.381,66,364,425.399,1.503,4,0.461,0.8,1.0,0.31379788910972517,0.19183914741964225,0.2328318826673977,0.1841546158590912,0.2306558837639641
EOS-3-02544,Cn1cnnc1-c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nn1,OZBVZTAEPVUIQL-UHFFFAOYSA-N,3,1,0.355,52,916,452.482,1.86,6,0.413,0.81,0.999,0.13373826331300118,0.03009560688095401,0.01520629154958536,0.021982729079569597,0.050255722705777536
EOS-3-02545,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1)N1CCCCCC1,TZICCTODOHERQA-UHFFFAOYSA-N,3,1,0.385,63,701,449.465,4.202,5,0.464,0.88,0.339,0.06271845658282503,0.13227331916935098,0.006116784319100815,0.05976286752107463,0.06521785689808787
EOS-3-02546,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccncc5)ncn4)n23)cc1,KZUIQSUAMLKLME-UHFFFAOYSA-N,3,1,0.473,89,731,438.451,2.582,5,0.43,0.82,1.0,0.45480090466726064,0.18758138578575834,0.32021451579740934,0.17874888629977384,0.28533642313755053
EOS-3-02547,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccccc4)n23)cn1,PHAJEJXDWDSQBQ-UHFFFAOYSA-N,3,1,0.348,52,204,439.504,3.869,6,0.446,0.86,0.996,0.07400109656637653,0.08994414365019533,0.054597011856623946,0.117469673086149,0.0840029812898362
EOS-3-02548,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)nc1,WFWWPKBVUWKLGD-UHFFFAOYSA-N,3,1,0.308,33,432,423.44,2.326,6,0.461,0.84,0.995,0.013587142759235145,0.02060345418408608,0.04559317387430608,0.07135391679802618,0.03778442190391337
EOS-3-02549,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cc1F,KWNOYUSSGISDDM-UHFFFAOYSA-N,3,1,0.312,62,124,440.442,3.199,5,0.447,0.8,0.995,0.2547803440477006,0.24636762387773284,0.27223973682406966,0.28616098965115483,0.2648871736001645
EOS-3-02550,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnccn5)c4)n23)cc1,LPWCXHGQCKIONZ-UHFFFAOYSA-N,3,1,0.536,89,637,437.463,3.187,5,0.435,0.84,1.0,0.6642193818107053,0.2614968131039682,0.48432252758549793,0.32963813309574397,0.4349192138989788
EOS-3-02551,Cc1cnc(-c2nncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,OMYCWWZTEGMPSR-UHFFFAOYSA-N,3,1,0.32,74,295,450.466,2.301,6,0.427,0.83,0.998,0.1147539579192653,0.025109656637653348,0.02814234802275375,0.03840552395312179,0.051602871633198544
EOS-3-02552,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)nn1,VKXNJACTSKJUHI-UHFFFAOYSA-N,3,1,0.3,52,523,449.478,2.906,6,0.434,0.81,1.0,0.07605715852237681,0.05393735864574053,0.04883147145500651,0.07338427797957645,0.06305256665067507
EOS-3-02553,COc1c(F)cnnc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,LDSPAIOOPXSXTE-UHFFFAOYSA-N,3,1,0.479,63,536,435.419,2.2,5,0.47,0.79,1.0,0.48124700157631417,0.3370313892125283,0.09802275375231306,0.0915718593653622,0.25196825097662945
EOS-3-02554,Cn1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2)n1,XNYBRRQICCIRNR-UHFFFAOYSA-N,3,1,0.364,52,784,453.47,1.255,6,0.402,0.83,1.0,0.117469673086149,0.025118223562470017,0.006759303680350901,0.0075645946131176756,0.0392279487355219
EOS-3-02555,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(Cl)cn5)n34)c(F)c2)CC1,XXSMCZJZKWJPMD-UHFFFAOYSA-N,3,1,0.402,63,9,436.878,3.852,5,0.513,0.8,1.0,0.2872832568021383,0.3615242272633815,0.2982489205674731,0.487543691316565,0.3586500239873895
EOS-3-02556,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnc5)nn4)n23)cn1,YUNWKKNGNWEGTB-UHFFFAOYSA-N,3,1,0.318,82,974,437.427,1.387,6,0.427,0.8,0.998,0.07606572544719348,0.042903159481872385,0.011779521622918237,0.018958604619285863,0.03742675279281749
EOS-3-02557,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cn4)n23)nc1,QHVMXOQBXVVZHI-UHFFFAOYSA-N,3,1,0.291,33,432,453.441,2.737,6,0.431,0.81,0.826,0.13661675005140156,0.1586594476046878,0.06623946268247549,0.13284730313206772,0.12359074086765814
EOS-3-02558,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(Cl)c4)n23)cc1,XTMVHGBIHRNFKT-UHFFFAOYSA-N,3,1,0.529,63,536,455.305,3.964,5,0.443,0.85,1.0,0.6310739496950175,0.4091734630936879,0.4809300253580975,0.5916832293879789,0.5282151668836954
EOS-3-02559,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(C)nn5)cnc4C)n23)cc1,NVEOCZIASXHEIT-UHFFFAOYSA-N,3,1,0.318,74,333,437.467,2.682,5,0.455,0.77,1.0,0.1531509149475704,0.03321396751422109,0.177635186073607,0.09158042629017887,0.11389512370639435
EOS-3-02560,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cn1,LWNSDWNJEMHEHV-UHFFFAOYSA-N,3,1,0.576,90,636,452.877,3.493,5,0.461,0.83,1.0,0.6310825166198342,0.4847508738263313,0.3385134672058118,0.4815896785689809,0.48398413405523955
EOS-3-02561,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccc(Cl)nn5)cn4)n23)nc1,MNZKAINAHUKPFF-UHFFFAOYSA-N,3,1,0.306,50,432,430.819,1.853,5,0.45,0.78,0.902,0.15587519703927077,0.1432561167843191,0.09803132067712973,0.11513946953601535,0.12807552600918373
EOS-3-02562,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(C)nn5C)cc4F)n23)cc1,GNTAESLFVFZQMD-UHFFFAOYSA-N,3,1,0.378,62,124,441.47,3.666,5,0.46,0.81,1.0,0.2440374203275992,0.24637619080254952,0.5729387978891097,0.437821259680625,0.3752934171749709
EOS-3-02563,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cc1)N1CCCC1,PWGQIDFTLHHBBQ-UHFFFAOYSA-N,3,1,0.355,52,376,448.49,3.546,6,0.414,0.86,1.0,0.06815845384140909,0.010006168185868,0.006125351243917484,0.027148584744020286,0.027859639503803713
EOS-3-02564,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cccnc5)c4)n23)cn1,NPNZBSPOZUGRLA-UHFFFAOYSA-N,3,1,0.462,14,204,439.454,3.338,5,0.451,0.82,1.0,0.2221403604961963,0.24638475772736618,0.5325029127544376,0.47850558563498047,0.3698834041532451
EOS-3-02565,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cc4F)n23)nc1,ATWGCZDRULXMJH-UHFFFAOYSA-N,3,1,0.375,66,505,445.38,3.08,4,0.474,0.72,0.998,0.35933966143513124,0.40918203001850456,0.8367658145432115,0.6450894386950861,0.5625942361729833
EOS-3-02566,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5cc(F)cc(F)c5)n4)n23)cc1,MGMOLYAAIAVNJL-UHFFFAOYSA-N,3,1,0.356,61,681,432.394,2.677,5,0.468,0.76,0.983,0.0894986635597286,0.16642108148858886,0.4879720375573984,0.46321362483722844,0.3017763518607361
EOS-3-02567,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(Cl)ccc5F)cn4)n23)cn1,KFMUPJBVJJKHOF-UHFFFAOYSA-N,3,1,0.324,82,155,448.849,3.191,5,0.453,0.8,0.97,0.12831539990405044,0.2822030703858543,0.5122164347885683,0.5266602700294702,0.3623487937769858
EOS-3-02568,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cn4)n23)cc1C,GBSWASIXBFFCBB-UHFFFAOYSA-N,3,1,0.314,74,918,427.432,1.107,5,0.446,0.8,1.0,0.082525186758961,0.03322253443903776,0.01911280926598588,0.008061476252484408,0.03573050167911727
EOS-3-02569,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2Cl)n1,LRWMLRHFPBTLMK-UHFFFAOYSA-N,3,1,0.435,61,917,431.847,2.401,5,0.462,0.77,1.0,0.21671749708724555,0.23583887327804812,0.239968131039682,0.2685730930025358,0.24027439860187788
EOS-3-02570,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnc(F)cn5)n4)n23)cc1,VTHPPYIBVAHDGD-UHFFFAOYSA-N,3,1,0.341,74,295,442.418,1.86,6,0.437,0.79,1.0,0.0554879720375574,0.13228188609416763,0.042363443218422316,0.07721369337262696,0.07683674868069357
EOS-3-02571,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnc(C)n5)c4)n23)cc1F,TZPWSMMHQRJNKS-UHFFFAOYSA-N,3,1,0.321,74,413,429.419,2.241,5,0.466,0.76,1.0,0.023747515591803166,0.09636933726269618,0.2614454115550682,0.1867418271537249,0.1420760228908231
EOS-3-02572,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncncc4-c4cccc(F)c4C)n23)cc1,HRCRFVIOXGNLAI-UHFFFAOYSA-N,3,1,0.343,62,139,439.454,3.722,5,0.458,0.82,1.0,0.2788791035569872,0.28221163731067095,0.604730655883764,0.510057569734768,0.41896974162154754
EOS-3-02573,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc(C)n5C)cn4)n23)cc1F,WZPCMQXJPKLKMK-UHFFFAOYSA-N,3,1,0.321,74,768,457.473,2.846,5,0.431,0.81,1.0,0.21672606401206224,0.2207268179014461,0.11369165924199849,0.08586628743746146,0.15925270714824208
EOS-3-02574,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nn5)cc4)n23)c(C)c1,NLOMZVURDAZRSP-UHFFFAOYSA-N,3,1,0.31,62,124,435.491,3.892,5,0.46,0.83,1.0,0.14459255705571927,0.06175039407854157,0.427326776780207,0.29214070317318896,0.2314526077719142
EOS-3-02575,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ccn2)n1C,OZUMBOHIIGUHHM-UHFFFAOYSA-N,3,1,0.291,33,432,452.482,2.244,6,0.43,0.82,1.0,0.04024741278870537,0.02061202110890275,0.011222671509834829,0.013390103488451785,0.021368052223973682
EOS-3-02576,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C#N)n5C)cc4)n23)cc1,GDFLPXLDWUEDOF-UHFFFAOYSA-N,3,1,0.362,62,3,433.475,3.695,5,0.466,0.83,1.0,0.2955332054005894,0.14692276060585294,0.7163576862449456,0.5884534987320952,0.43681678774587074
EOS-3-02577,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)n4)n23)cc1,KVVOKYGRRBHVAU-UHFFFAOYSA-N,3,1,0.365,62,139,425.427,3.414,5,0.443,0.88,1.0,0.21389897882256184,0.19639675142210952,0.5593944897539579,0.4693818107052293,0.3597680076759646
EOS-3-02578,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cc1,OIUMFAYFIMANPW-UHFFFAOYSA-N,3,1,0.373,62,139,425.427,3.414,5,0.443,0.88,1.0,0.2279658693715304,0.2310242615310808,0.6282382975807004,0.5304639846480708,0.4044231032828456
EOS-3-02579,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnnc5)c4)n23)cc1,WTMMHJIMCVNXBX-UHFFFAOYSA-N,3,1,0.324,74,246,423.44,2.326,6,0.461,0.82,1.0,0.015069220752518675,0.015626070865602082,0.12515420464670002,0.1543245836474539,0.07754351997806867
EOS-3-02580,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cncnc3OC)n12,ADNRRUGXGHZFJN-UHFFFAOYSA-N,3,1,0.326,63,437,417.429,2.158,5,0.507,0.87,1.0,0.14735967377150297,0.020620588033719415,0.07257042012199301,0.04459941059557261,0.071287523130697
EOS-3-02581,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ncn2)no1,NHRBYXUEEDQWCD-UHFFFAOYSA-N,3,1,0.28,33,432,440.427,1.894,6,0.429,0.82,0.983,0.09189740250839559,0.042911726406689055,0.009269412651634569,0.009389349599067918,0.03836697279144678
EOS-3-02582,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ncc(F)cc4F)n23)c(F)c1,TWKVKLLZOTZSGF-UHFFFAOYSA-N,3,1,0.538,90,133,428.374,2.585,4,0.507,0.73,1.0,0.6486361455691865,0.5033839353025837,0.6434702899047358,0.5697604687821259,0.591312709889658
EOS-3-02583,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(OC(F)F)nc(CF)n4C)n23)cc1,QCUYGJSDOKWWEE-UHFFFAOYSA-N,3,1,0.356,66,437,431.378,2.622,4,0.504,0.76,0.918,0.4593328078952779,0.39996401891577,0.334949626482078,0.24751559180316635,0.36044051127407306
EOS-3-02584,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1F,PLODUWKKWDTASY-UHFFFAOYSA-N,3,1,0.347,0,688,417.404,1.984,5,0.511,0.85,1.0,0.3005876910424234,0.21556096223699542,0.13081694195051743,0.16237749297512166,0.20233577205126446
EOS-3-02585,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncc(Cl)c5)c4)n23)cc1C,VCBRZOHBHMKPQN-UHFFFAOYSA-N,3,1,0.315,74,450,444.886,3.36,5,0.456,0.8,1.0,0.03715475292988829,0.12192447399081625,0.45309608662874373,0.39997258584058665,0.25303697484750876
EOS-3-02586,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)cc4OC(F)(F)F)n23)cc1,VSTUUAORGNJCLG-UHFFFAOYSA-N,3,1,0.4,48,999,431.349,3.856,4,0.497,0.81,1.0,0.8113648824617915,0.9097988486053047,0.980193269823864,0.9434068946610924,0.9111909738880131
EOS-3-02587,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cn1)N1CCOCC1,DKUOPMMGPAIRRP-UHFFFAOYSA-N,3,1,0.404,52,229,464.489,2.783,6,0.399,0.88,1.0,0.021554382838736206,0.0011993694743334933,0.00711911452265095,0.021143170447536153,0.012754009320814202
EOS-3-02588,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)cc1,JWZGFZXTYQYBRG-UHFFFAOYSA-N,3,1,0.535,89,398,438.451,2.582,5,0.43,0.8,1.0,0.6171869645671989,0.1918477143444589,0.30540230278939073,0.17321465286820642,0.3219129086423137
EOS-3-02589,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)o4)n23)cc1,YFLDUJNEKIEJRT-UHFFFAOYSA-N,3,1,0.364,62,302,441.426,3.54,6,0.444,0.86,1.0,0.2167346309368789,0.22608114591186348,0.197493317798643,0.3013330135014735,0.2354105270372147
EOS-3-02590,Cc1ccc(-c2nnc3cncc(Cc4ccc(NC(=O)c5ccnc(F)c5)cc4)n23)nc1,VGFZNZGVAASLBE-UHFFFAOYSA-N,3,1,0.447,14,319,439.454,3.872,5,0.418,0.85,1.0,0.05549653896237407,0.08362175313549448,0.5393478856829552,0.42856898087862383,0.2767587896648619
EOS-3-02591,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnnc5)n4)n23)cc1,VEKYXLRZCULUTM-UHFFFAOYSA-N,3,1,0.33,52,423,434.463,3.203,6,0.452,0.8,1.0,0.13374683023781783,0.025126790487286683,0.17446542389143993,0.22118943184154616,0.13863211911452267
EOS-3-02592,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(F)c5)ccn4)n23)cc1,LLDYXYLFJHOFBJ-UHFFFAOYSA-N,3,1,0.392,62,3,424.439,4.019,5,0.471,0.89,1.0,0.23327736275786443,0.24134740593516552,0.7269721060927969,0.6829209786854911,0.47112946336782946
EOS-3-02593,COc1cc(F)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4OC)n23)cn1,CRZIFWLOYYHNAY-UHFFFAOYSA-N,3,1,0.348,63,437,434.431,2.902,5,0.498,0.77,1.0,0.32362415187444316,0.2615053800287849,0.2908813652251388,0.2211979987663628,0.2743022239736824
EOS-3-02594,Cc1cc(-c2nnc3cncc(CCc4c(C)nn(C)c4C)n23)ccc1C(=O)N1CCOCC1,OOYDFQDSLMCVAO-UHFFFAOYSA-N,3,1,0.473,78,751,459.554,2.708,5,0.456,0.79,1.0,0.006219587416900829,0.0019189911589335893,0.0012936056473168392,0.0009080940305667877,0.002585069563429511
EOS-3-02595,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cnco5)nc4)n23)cc1)N1CCOCC1,NPCBHVDRYGZACS-UHFFFAOYSA-N,3,1,0.444,82,800,454.45,2.376,6,0.402,0.87,1.0,0.052215406757590295,0.0015077787677335343,0.005791241176067439,0.014323898293468576,0.01845958124871496
EOS-3-02596,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCSC5)nn4)n23)c(F)c1,AGLOXJUBVNXMLF-UHFFFAOYSA-N,3,1,0.39,63,546,450.459,1.633,5,0.496,0.73,1.0,0.1531594818723871,0.09637790418751285,0.0034867384003837982,0.008395586320334453,0.06535492769515454
EOS-3-02597,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cc1F,DPNUKUQJBOIUQW-UHFFFAOYSA-N,3,1,0.409,66,225,416.338,3.034,4,0.516,0.86,1.0,0.41308854773490505,0.47619251593448014,0.9550579124117606,0.8837039956137345,0.6820107429237201
EOS-3-02598,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5(C)CC5)cc4)n23)cc1,TWDICOMOMUYWDE-UHFFFAOYSA-N,3,1,0.373,0,862,426.48,3.1,5,0.511,0.79,1.0,0.29554177232540607,0.11240662051949832,0.13371256253855116,0.12202727708861627,0.16592205811801794
EOS-3-02599,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)nc1,OEQNJNXOEDRXRO-UHFFFAOYSA-N,3,1,0.343,52,776,452.453,3.342,6,0.435,0.85,1.0,0.25240730587348364,0.17508224247824,0.22535295730244673,0.30134158042629017,0.23854602152011511
EOS-3-02600,CNC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)cccc4OC(F)F)n23)cc1,RDLSJLJBTZLXHO-UHFFFAOYSA-N,3,1,0.61,48,17,443.385,3.47,4,0.471,0.82,1.0,0.9677540949900624,0.9006836406003701,0.9093362346652045,0.8096172297991913,0.896847800013707
EOS-3-02601,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(Cl)c5)cn4)n23)cc1,KMOVPQUPEFTBNE-UHFFFAOYSA-N,3,1,0.37,62,139,441.882,3.928,5,0.453,0.85,1.0,0.2332859296826811,0.23584744020286477,0.6196028373654993,0.5884620656569118,0.4192995682269892
EOS-3-02602,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nn2)n1,AWWJJRMGPIHMNE-UHFFFAOYSA-N,3,1,0.333,82,974,438.455,2.03,6,0.441,0.79,0.975,0.017733534370502364,0.027345624014803647,0.014555205263518608,0.01896717154410253,0.019650383798231787
EOS-3-02603,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)cc5)n4)n23)cc1,QADADVHXMODYIM-UHFFFAOYSA-N,3,1,0.387,29,704,426.415,2.809,5,0.47,0.79,1.0,0.2981889520937564,0.32295593173874304,0.3458381879240628,0.3013501473511068,0.31708330477691726
EOS-3-02604,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)cc1,YOOJBQRFZBGQDK-UHFFFAOYSA-N,3,1,0.362,0,901,474.471,3.442,6,0.479,0.85,1.0,0.34563258172846273,0.23585600712768146,0.19750188472345967,0.32318723870879307,0.2755444280720992
EOS-3-02605,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5)nc4)n23)cc1,UTIJQSHBYSEFPB-UHFFFAOYSA-N,3,1,0.394,62,3,424.439,4.019,5,0.471,0.87,1.0,0.2547889109725173,0.30792097868549106,0.7424268384620657,0.6829295456103077,0.49701656843259545
EOS-3-02606,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,GIDCDXPAGKGPFF-UHFFFAOYSA-N,3,1,0.324,52,423,436.479,3.146,6,0.454,0.79,1.0,0.07012884654924269,0.01712528270851895,0.1459118634774861,0.165050373517922,0.09955409156329244
EOS-3-02607,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnn5)cc4F)n23)cc1,QMQYJVYZRLHNQT-UHFFFAOYSA-N,3,1,0.34,74,295,453.441,2.737,6,0.431,0.79,1.0,0.17196388184497294,0.16642964841340552,0.18401754506202453,0.25666506750736756,0.19476903570694265
EOS-3-02608,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5C)nn4)n23)cn1,RGCRUXFYZJUHLC-UHFFFAOYSA-N,3,1,0.316,63,546,443.471,1.627,5,0.503,0.71,0.976,0.06816702076622576,0.025135357412103352,0.001841888835583579,0.0009766294291001301,0.0240302241107532
EOS-3-02609,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1,BKHXDUKBEPBGLF-UHFFFAOYSA-N,3,1,0.621,63,536,452.877,3.493,5,0.431,0.82,1.0,0.6399492838050853,0.41405661023918855,0.40899355767253787,0.48475944075114796,0.4869397231169899
EOS-3-02610,CNC(=O)c1ccc(-c2nnc3cncc(CCc4nc(-c5ccccc5)ns4)n23)cc1,ZQBMWKRBLXMFEM-UHFFFAOYSA-N,3,1,0.451,62,886,441.52,3.455,5,0.433,0.85,1.0,0.12270406414913303,0.09638647111232952,0.06018264683709136,0.05680727845932424,0.08402011513946954
EOS-3-02611,Cn1cnnc1-c1cccc(OCc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c1,WQAPZIGUZDUSIG-UHFFFAOYSA-N,3,1,0.367,33,920,427.428,1.66,5,0.432,0.82,1.0,0.26028887670481804,0.15493283530943733,0.10306010554451374,0.06282982660544172,0.1452779110410527
EOS-3-02612,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnn(C)c5)nn4)n23)c(F)c1,OKXZGXCKFDCFTE-UHFFFAOYSA-N,3,1,0.35,50,413,430.407,1.542,5,0.455,0.75,1.0,0.1337553971626345,0.21556952916181207,0.14912446028373655,0.11278356521143171,0.1528082379549037
EOS-3-02613,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)nc4)n23)cn1,HPTYKQSZAKGALC-UHFFFAOYSA-N,3,1,0.372,82,204,452.453,3.342,6,0.435,0.83,1.0,0.22507881570831334,0.1918562812692756,0.17447399081625659,0.2774055924885203,0.21720367007059144
EOS-3-02614,Cc1ncc(OCC(F)F)c(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,GVHRGESRDSWJKN-UHFFFAOYSA-N,3,1,0.394,66,455,425.399,2.223,4,0.482,0.77,0.998,0.45020046604071,0.3276334726886437,0.372472757179083,0.24175861832636555,0.34801632855870057
EOS-3-02615,O=C(NCCO)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1,VBDCECLONOIOFL-UHFFFAOYSA-N,3,1,0.32,0,862,443.467,1.468,5,0.394,0.92,1.0,0.1640394763895552,0.05027928174902337,0.04560174079912275,0.038414090877938456,0.07458364745390995
EOS-3-02616,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4OC)n23)cn1,FCECGKMGTLFTMM-UHFFFAOYSA-N,3,1,0.337,61,917,442.443,1.412,5,0.428,0.85,0.998,0.2981975190185731,0.11534507573161538,0.052652319923240355,0.020303611815502706,0.1216246316222329
EOS-3-02617,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cc1,CLXQKIOITAWAIN-UHFFFAOYSA-N,3,1,0.643,48,378,439.878,3.955,4,0.471,0.79,1.0,0.8530258378452471,0.5722191762045097,0.7061544787882942,0.6507693098485368,0.695542200671647
EOS-3-02618,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5F)nc4)n23)cc1,VVSQTZMRHYDDRA-UHFFFAOYSA-N,3,1,0.529,89,230,441.426,3.065,5,0.402,0.87,1.0,0.7520303611815503,0.3079295456103077,0.5885477349050785,0.4539356452607772,0.5256108217394284
EOS-3-02619,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)c4)n23)c(F)c1,VJBXXOGBTGPXAI-UHFFFAOYSA-N,3,1,0.361,96,246,431.406,3.282,5,0.472,0.8,1.0,0.03716331985470495,0.19186484819409225,0.7243249263244466,0.6884380782674251,0.4104477931601672
EOS-3-02620,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)cc(F)n4)n23)cc1,XADPTCRJOCVCTD-UHFFFAOYSA-N,3,1,0.386,74,274,444.405,2.948,5,0.424,0.8,1.0,0.22797443629634706,0.18758995271057502,0.5661537934343088,0.46939037763004593,0.3627771400178192
EOS-3-02621,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5C)nn4)n23)cn1,MKZOTJFJYXMFEP-UHFFFAOYSA-N,3,1,0.327,63,546,457.498,2.018,5,0.492,0.73,0.998,0.059060379686107875,0.03323110136385443,0.0011308340758001507,0.0006853539853334248,0.023526917277773972
EOS-3-02622,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)cn5C)cn4)n23)cc1,KNFMYQCXZCYYTB-UHFFFAOYSA-N,3,1,0.347,74,333,424.468,2.922,5,0.476,0.8,1.0,0.1746881639366733,0.08692858611472826,0.20101432389829346,0.10584435610993077,0.14211885751490647
EOS-3-02623,NC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cccc(Cl)c4)n23)cc1,VNSAWAQTRYNUAR-UHFFFAOYSA-N,3,1,0.419,96,837,427.855,3.668,5,0.468,0.84,1.0,0.20034610376259337,0.25137070797066685,0.4879806044822151,0.5440254266328559,0.37093071071208283
EOS-3-02624,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cc4)n23)nc1,ZTNQVORYTAUYBX-UHFFFAOYSA-N,3,1,0.311,0,782,413.441,2.059,5,0.549,0.9,1.0,0.09190596943321225,0.017133849633335616,0.005799808100884107,0.007804468507984374,0.030661023918854086
EOS-3-02625,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccnn5)c4)n23)nc1,HIUZUTIGVIZZAA-UHFFFAOYSA-N,3,1,0.278,33,432,424.428,1.721,6,0.452,0.82,0.362,0.00782160235761771,0.020629154958536084,0.02697724624768693,0.043348639572339115,0.02469416078404496
EOS-3-02626,CC(=O)NCc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1Cl,XIAVJTZEBHKTMQ-UHFFFAOYSA-N,3,1,0.57,90,636,457.321,3.751,4,0.425,0.86,1.0,0.7668254403399356,0.467325748749229,0.6015180590775135,0.5793639915016106,0.6037583099170721
EOS-3-02627,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc5ccccc5n4)n23)cn1,TVCWHJURIRXEJW-UHFFFAOYSA-N,3,1,0.5,89,205,437.463,3.206,6,0.435,0.86,1.0,0.3979250908094031,0.2822202042354876,0.10042149270098005,0.1441556438900692,0.231180607908985
EOS-3-02628,CCN1CC(n2cc(-c3cncc4nnc(-c5ccc(C(=O)NCCOC)nc5)n34)cn2)C1,NZRYEMBTYPJDIE-UHFFFAOYSA-N,3,1,0.325,63,66,447.503,1.303,5,0.402,0.87,1.0,0.03867966554725516,0.008515523267767802,0.0045576040024672745,0.002947022136933726,0.013674953738605992
EOS-3-02629,NC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)cc(Cl)cc4Cl)n23)nn1,BSWSTFGIKVFJJK-UHFFFAOYSA-N,3,1,0.419,90,244,434.218,2.705,4,0.513,0.72,0.999,0.5916146939894456,0.47161777808237954,0.49432012884654924,0.6130919745048318,0.5426611438558016
EOS-3-02630,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(Cl)c5)ncn4)n23)cc1,LBIHNLBDOCEVFH-UHFFFAOYSA-N,3,1,0.38,62,139,441.882,3.928,5,0.453,0.83,1.0,0.17760091837434033,0.26151394695360153,0.5917860324857789,0.5760485915975602,0.4017373723528202
EOS-3-02631,CNC(=O)c1ccc(-c2nnc3cncc(C=Cc4ccc(Cl)c(F)c4)n23)c(F)c1,PAWWDQWCJXGQHY-UHFFFAOYSA-N,3,1,0.436,23,646,425.826,4.253,4,0.53,0.8,1.0,0.4314389006922075,0.5033925022274005,0.9122061544787883,0.8852032074566514,0.6830601912137619
EOS-3-02632,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc1,RUJJSSBVVLQQPL-UHFFFAOYSA-N,3,1,0.566,68,12,425.399,2.8,4,0.468,0.81,1.0,0.5038122815434172,0.4091905969433212,0.42733534370502363,0.20959838256459462,0.38748415118908913
EOS-3-02633,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccncc4)n23)cc1,QPVKEUFKWZOEDW-UHFFFAOYSA-N,3,1,0.333,74,517,435.451,2.598,6,0.447,0.79,1.0,0.15588376396408746,0.01563463779041875,0.07682818175587691,0.12437461448838324,0.09318029949969159
EOS-3-02634,N#Cc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c(F)c1,LGZBQZCYGRMMAG-UHFFFAOYSA-N,3,1,0.356,62,3,435.422,3.63,5,0.46,0.82,0.997,0.29820608594338976,0.32296449866355975,0.7682561167843192,0.7686159276266191,0.5395106572544719
EOS-3-02635,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5nnc(C)s5)c4)n23)cc1,FELRSESZPPHAND-UHFFFAOYSA-N,3,1,0.433,62,319,459.51,3.708,5,0.43,0.83,1.0,0.23883729696388184,0.2874631622232883,0.34203447330546227,0.2685816599273525,0.2842291481049962
EOS-3-02636,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(OCc5ccc(F)cc5)n4)n23)cc1,KNRGLRVQVLVYAV-UHFFFAOYSA-N,3,1,0.417,29,704,442.414,2.46,5,0.424,0.83,1.0,0.4912874374614488,0.347123226646563,0.34584675484887945,0.26859022685216916,0.3632119114522651
EOS-3-02637,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)C(F)F)nc4)n23)cc1,QXKZJKGIHQGUQW-UHFFFAOYSA-N,3,1,0.343,66,688,456.403,4.102,5,0.442,0.91,1.0,0.32878144061407716,0.3519549722431636,0.9236087314097732,0.8823332876430676,0.6216696079775204
EOS-3-02638,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5Cl)no4)n23)cc1,DDIFGSHZFLMSTB-UHFFFAOYSA-N,3,1,0.366,62,302,457.881,4.054,6,0.423,0.92,1.0,0.24404598725241589,0.2928688917826057,0.1678431910081557,0.32014598039887604,0.2562260126105133
EOS-3-02639,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cc5F)cn4)n23)cc1F,IJCYUSIYRGVXBD-UHFFFAOYSA-N,3,1,0.333,96,802,461.407,3.692,5,0.438,0.86,1.0,0.3287900075388938,0.3711620176821328,0.7864179973956549,0.7532211637310671,0.5598977965869372
EOS-3-02640,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccc(Cl)c5)c4)n23)cc1,NEXPMKGMGKOKHR-UHFFFAOYSA-N,3,1,0.463,62,319,440.894,4.196,5,0.441,0.86,1.0,0.23884586388869852,0.24135597285998217,0.7037300390651772,0.7080906037968611,0.4730056199026797
EOS-3-02641,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)cc1,YQGUMOZXIFFMLG-UHFFFAOYSA-N,3,1,0.541,89,656,437.463,3.187,5,0.435,0.83,1.0,0.639957850729902,0.22608971283668014,0.45649715578096084,0.29517339455828934,0.4044295284764581
EOS-3-02642,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncnn4-c4ccc(F)cc4)n23)cc1,GCBUBOXYGOOWLB-UHFFFAOYSA-N,3,1,0.5,43,612,444.43,2.45,5,0.428,0.8,1.0,0.4271040367349736,0.287471729148105,0.29447947364813926,0.230116167500514,0.3097928517579329
EOS-3-02643,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cc5F)cn4)n23)cc1,GPVFYTYJWYLHSC-UHFFFAOYSA-N,3,1,0.361,96,139,443.417,3.553,5,0.456,0.79,1.0,0.27888767048180385,0.2513792748954835,0.6743197861695566,0.6066753478171476,0.4528155198409979
EOS-3-02644,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COCc4ccc(Cl)nc4)n23)c(F)c1,BQQMWNVNKAYRED-UHFFFAOYSA-N,3,1,0.495,63,9,452.877,3.588,5,0.431,0.85,1.0,0.4063977794530875,0.34713179357137963,0.4772462476869303,0.5760571585223768,0.45170824480844357
EOS-3-02645,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,VIBPPCSSEJXDSD-UHFFFAOYSA-N,3,1,0.32,52,582,436.479,3.146,6,0.454,0.81,1.0,0.14185970803920225,0.022856555410869714,0.12265266260023303,0.13725070248783497,0.10615490713453499
EOS-3-02646,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)no4)n23)cc1F,FNAAMQBZXSHZLX-UHFFFAOYSA-N,3,1,0.345,74,155,450.821,3.055,5,0.414,0.86,1.0,0.3384877664313618,0.3615327941881982,0.3536769241313138,0.37489719690219997,0.3571486704132684
EOS-3-02647,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(Cl)c4)n23)cc1,YOHBLYXKGNESHK-UHFFFAOYSA-N,3,1,0.61,48,536,454.317,4.569,5,0.462,0.89,1.0,0.7491090398190665,0.5630782674251251,0.6340381056815846,0.7584212870947844,0.6761616750051402
EOS-3-02648,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncon5)n4)n23)cc1,JXWWOQVWTYFEDB-UHFFFAOYSA-N,3,1,0.327,52,423,424.424,2.796,6,0.457,0.84,1.0,0.16666952230827223,0.06584538414090878,0.06218730724419162,0.08959289973271195,0.09607377835652114
EOS-3-02649,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)cn1)N1CCC1,QVHHXWRXUNARDV-UHFFFAOYSA-N,3,1,0.366,52,376,434.463,3.156,6,0.428,0.84,1.0,0.14736824069631965,0.050287848673840035,0.013904118977451854,0.05539373586457405,0.0667384860530464
EOS-3-02650,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccn5)cc4F)n23)cc1,GZJPDEKQTKPURE-UHFFFAOYSA-N,3,1,0.419,62,3,428.402,3.897,5,0.468,0.85,1.0,0.30323487081077377,0.2719227606058529,0.8587057089986978,0.8402525529435954,0.56852897333973
EOS-3-02651,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5Cc6ccccc6C5)cc4)n23)nc1,PDOZKSWQIWJIPJ-UHFFFAOYSA-N,3,1,0.383,62,504,461.485,3.108,6,0.439,0.84,1.0,0.11747824001096567,0.06585395106572545,0.16469056267562196,0.1787574532245905,0.13169505174422588
EOS-3-02652,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)cc1,MUQMYWHSXAAHQJ-UHFFFAOYSA-N,3,1,0.324,52,582,434.463,3.203,6,0.452,0.81,1.0,0.11748680693578233,0.050296415598656705,0.22536152422726338,0.25940648344870126,0.16313780755260093
EOS-3-02653,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cc(Cl)ccn3)n12,TXNCVPXSLOZFLV-UHFFFAOYSA-N,3,1,0.36,63,437,420.86,3.408,5,0.531,0.86,1.0,0.34564114865327944,0.2928774587074224,0.26488074840655196,0.3392844904393119,0.3106709615516414
EOS-3-02654,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cnco5)c4)n23)cc1,AUXWGLWQWNEPQB-UHFFFAOYSA-N,3,1,0.363,62,341,440.438,4.145,6,0.441,0.87,1.0,0.31103933931875816,0.23103282845589748,0.5086954286889178,0.5697690357069426,0.405134158042629
EOS-3-02655,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5F)nn4C)n23)cc1F,RBBRLHLIMGZBCR-UHFFFAOYSA-N,3,1,0.345,61,316,460.448,3.282,5,0.432,0.83,1.0,0.20862175313549447,0.29788054280035636,0.25775306695908434,0.2892193818107052,0.26336868617641007
EOS-3-02656,NC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ccnc(Cl)c5)c4)n23)cn1,PZUWKXSAZDKITL-UHFFFAOYSA-N,3,1,0.402,14,319,441.882,3.591,5,0.417,0.85,1.0,0.18064217668425742,0.2057946679459941,0.5192498800630526,0.5502450140497567,0.3639829346857652
EOS-3-02657,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)c1,ROQHYXNEKDNMLL-UHFFFAOYSA-N,3,1,0.593,63,536,452.877,3.493,5,0.431,0.84,1.0,0.5743780412583099,0.44972071825097665,0.419847851415256,0.5170567473099856,0.490250839558632
EOS-3-02658,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cn1,FCEZOOFEKYICGR-UHFFFAOYSA-N,3,1,0.36,82,204,426.415,2.809,5,0.44,0.83,1.0,0.22798300322116374,0.24639332465218286,0.3910801178808855,0.3296467000205606,0.2987757864436982
EOS-3-02659,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nn1,ZKHULXBTTOTWFO-UHFFFAOYSA-N,3,1,0.327,74,295,440.431,0.726,6,0.413,0.82,1.0,0.10916832293879788,0.027354190939620313,0.002912754437667055,0.0032811322047837706,0.03567910013021725
EOS-3-02660,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(F)cn5)cn4)n23)cc1,GMIYGBRREUDVGM-UHFFFAOYSA-N,3,1,0.414,85,260,441.43,2.128,5,0.44,0.75,1.0,0.26577170858748544,0.24136453978479885,0.16469912960043862,0.11747824001096567,0.19732840449592215
EOS-3-02661,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cc4F)n23)cn1,KMQHWKDYVJSUDC-UHFFFAOYSA-N,3,1,0.357,82,204,430.468,4.081,5,0.464,0.87,1.0,0.24974299225549998,0.26675690494140225,0.5694863271879926,0.5440339935576726,0.40750505448564184
EOS-3-02662,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccnn5)n4)n23)nc1,ZVFRHTIFLNKKIL-UHFFFAOYSA-N,3,1,0.297,76,776,435.451,2.598,6,0.447,0.78,0.998,0.08040915632924406,0.025143924336920018,0.04716948804057296,0.07722226029744363,0.05748620725104517
EOS-3-02663,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(F)cc4F)n23)cc1,IOQWHQHQEBGIPS-UHFFFAOYSA-N,3,1,0.434,0,646,419.435,3.747,5,0.517,0.85,1.0,0.43353779727229114,0.39022342539921867,0.5393564526077719,0.6421766842574189,0.5013235898841751
EOS-3-02664,CCCc1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,ZGZVQJGVKZMVCK-UHFFFAOYSA-N,3,1,0.457,63,306,447.474,3.144,5,0.442,0.81,1.0,0.4000239873894867,0.2413731067096155,0.0790127475841272,0.09953909944486328,0.20498723528202317
EOS-3-02665,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnco5)nc4)n23)cn1,GVZFFCDCXIFZAM-UHFFFAOYSA-N,3,1,0.33,82,514,425.412,2.19,6,0.449,0.82,1.0,0.1719724487697896,0.06935782331574258,0.025863546021520117,0.03721472140360496,0.07610213487766432
EOS-3-02666,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cscn5)cn4)n23)cc1,NMDDHCHNENCKES-UHFFFAOYSA-N,3,1,0.38,52,916,453.531,3.793,6,0.42,0.86,1.0,0.08041772325406073,0.057972380234391066,0.14913302720855323,0.18155883763964087,0.11727049208416147
EOS-3-02667,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccnnc5)c4)n23)cc1,IBTNJSDYVCZOFF-UHFFFAOYSA-N,3,1,0.438,62,319,439.454,3.338,5,0.451,0.78,1.0,0.3312487149612775,0.2615225138784182,0.684959906791858,0.5916917963127956,0.46735573298608735
EOS-3-02668,Cc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)cc1F,HWALMCORWIAUHH-UHFFFAOYSA-N,3,1,0.404,62,3,424.439,4.067,5,0.469,0.9,1.0,0.21142313755054484,0.22073538482626276,0.7294907819888973,0.662343225275855,0.45599813241038994
EOS-3-02669,Cc1ncncc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,PHQSERXMDSESGV-UHFFFAOYSA-N,3,1,0.306,62,302,447.502,4.116,6,0.435,0.88,1.0,0.13376396408745117,0.0362723596737715,0.32022308272222605,0.34559831402919605,0.20896443012816118
EOS-3-02670,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnccn5)n4)n23)cc1,LQILYPJWGONRCK-UHFFFAOYSA-N,3,1,0.474,89,731,439.439,1.977,5,0.421,0.8,1.0,0.4789853334247139,0.22074395175107944,0.1251627715715167,0.05681584538414091,0.22042697553286272
EOS-3-02671,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)cc1,HWWABHITIXQFFL-UHFFFAOYSA-N,3,1,0.454,89,463,439.439,1.977,5,0.421,0.8,1.0,0.47899390034953054,0.2207525186758961,0.17448255774107327,0.08960146665752862,0.24095761085600714
EOS-3-02672,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1F,DWKKPSGVOBNYHU-UHFFFAOYSA-N,3,1,0.565,63,536,452.877,3.493,5,0.431,0.83,1.0,0.6576314166266877,0.4140651771640052,0.41985641834007265,0.5266688369542869,0.5045554622712631
EOS-3-02673,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)nc1)N1CCCC1,QGKUSCMOVHVODJ-UHFFFAOYSA-N,3,1,0.36,52,821,437.463,3.744,6,0.422,0.89,0.98,0.03717188677952162,0.00782160235761771,0.005808375025700774,0.029033308203687203,0.019958793091631826
EOS-3-02674,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cccc(-c5nccn5C)n4)n23)cc1,OXLJLZYSWAKJRV-UHFFFAOYSA-N,3,1,0.402,52,886,438.495,2.732,5,0.437,0.8,1.0,0.16667808923308888,0.042920293331505724,0.10567301761359742,0.05682441230895758,0.0930239531217874
EOS-3-02675,Cc1nc(C(F)(F)F)ncc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,ODOIMVVSNPBGOU-UHFFFAOYSA-N,3,1,0.375,66,685,471.418,3.531,5,0.448,0.85,1.0,0.30579638133095743,0.40919916386813787,0.5661623603591255,0.4906277842505654,0.4429464224521965
EOS-3-02676,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)c(Cl)c5)nn4)n23)cc1,OKYPNAAUMMHQKG-UHFFFAOYSA-N,3,1,0.376,61,331,448.849,3.191,5,0.453,0.79,1.0,0.0627270235076417,0.23104139538071414,0.6015266260023302,0.6033770817627304,0.3746680316633541
EOS-3-02677,Cn1nnc(-c2cc(F)cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)n1,OAMZMILFCAWQKT-UHFFFAOYSA-N,3,1,0.294,33,523,456.445,2.075,6,0.426,0.81,1.0,0.07818175587691042,0.1586680145295045,0.052660886848057024,0.09743163593996298,0.09673557329860874
EOS-3-02678,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4F)n23)cn1,UMRNJLLTSGBMJZ-UHFFFAOYSA-N,3,1,0.361,83,3,424.439,4.019,5,0.471,0.9,1.0,0.29272325406072236,0.32764203961346033,0.6372592694126517,0.630337194160784,0.4719904393119046
EOS-3-02679,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5C)nc4)n23)nc1,ZMMOVYNOVKBCMU-UHFFFAOYSA-N,3,1,0.306,63,686,458.482,1.469,5,0.487,0.72,0.996,0.03317969981495442,0.0023901720238503187,0.00957782194503461,0.005345761085600712,0.012623363717360017
EOS-3-02680,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)cn4)n23)cc1,JFHODMHWSRMIHK-UHFFFAOYSA-N,3,1,0.432,14,357,440.442,2.733,5,0.447,0.75,1.0,0.2788962374066205,0.2106606812418614,0.3202316496470427,0.23296038653964773,0.26068723870879307
EOS-3-02681,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(N5CC(OC)C5)n4)n23)cc1,HNNDRHMXXLAQDL-UHFFFAOYSA-N,3,1,0.324,63,437,417.433,0.838,5,0.503,0.83,1.0,0.2524158727983003,0.08693715303954493,0.005114454115550682,0.0028442190391337126,0.0868279247481324
EOS-3-02682,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,WYJUNUHFBCJZIC-UHFFFAOYSA-N,3,1,0.324,74,295,437.467,2.541,6,0.449,0.78,1.0,0.07013741347405936,0.014255362894935234,0.09308820505791242,0.1079946542389144,0.07136890891645535
EOS-3-02683,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5F)c4)n23)cc1,OQAMLIKOHNQJQA-UHFFFAOYSA-N,3,1,0.358,62,246,457.444,3.814,6,0.434,0.86,0.997,0.06817558769104243,0.2058032348708108,0.5563018298951409,0.6478651223356864,0.3695364436981701
EOS-3-02684,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cscn5)nc4)n23)cc1,YISVHMRSZYCARE-UHFFFAOYSA-N,3,1,0.386,52,916,453.531,3.793,6,0.42,0.85,1.0,0.10917688986361455,0.07317867178397643,0.1491415941333699,0.17876602014940718,0.127565793982592
EOS-3-02685,O=C(O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)nc4)n23)cc1F,MHSGNFNBVDLCIB-UHFFFAOYSA-N,3,1,0.369,85,260,445.389,3.211,5,0.438,0.8,1.0,0.3730724419162497,0.15867658145432115,0.5529007607429237,0.4847680076759646,0.3923544479473648
EOS-3-02686,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)nc5)n4)n23)cc1,DMEAZPFKAXXAFH-UHFFFAOYSA-N,3,1,0.326,74,295,442.418,1.86,6,0.409,0.84,1.0,0.1017150983482969,0.15868514837913783,0.03945068878075526,0.08243951751079433,0.09557261325474607
EOS-3-02687,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)nc4F)n23)nn1,WHHLDTYPBSQVPT-UHFFFAOYSA-N,3,1,0.336,63,542,442.361,2.276,5,0.452,0.79,0.997,0.531826125693921,0.567644438352409,0.22196902199986293,0.3079295456103077,0.4073422829141251
EOS-3-02688,CCn1nc(-c2cccc(C#N)c2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,HFMCQEDLPTWZLA-UHFFFAOYSA-N,3,1,0.349,62,124,449.478,2.968,5,0.437,0.8,1.0,0.13124528819135084,0.11857480638749915,0.13372112946336784,0.12203584401343294,0.12639426701391268
EOS-3-02689,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)nc1,ACLVOCOISLCZHT-UHFFFAOYSA-N,3,1,0.444,63,108,453.865,2.888,5,0.429,0.8,1.0,0.4570625728188609,0.2770886162703036,0.21479850592831198,0.31105647316839147,0.315001542046467
EOS-3-02690,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)o5)nc4)n23)c(OC)c1,OPXIVHMAGOVVGV-UHFFFAOYSA-N,3,1,0.33,82,514,441.451,3.185,5,0.441,0.85,1.0,0.289973271194572,0.09312247275717908,0.3017442258926736,0.13055136728120073,0.20384783428140635
EOS-3-02691,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5F)nc4)n23)cc1,DAEWJYINVSNCOR-UHFFFAOYSA-N,3,1,0.381,62,3,442.429,4.158,5,0.452,0.84,1.0,0.30829792337742445,0.3569494894112809,0.8478000137070797,0.8031834692618738,0.5790577239394148
EOS-3-02692,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccnc4-c4cnn(C)c4)n23)cc1,SRIXCQQGTIPFFP-UHFFFAOYSA-N,3,1,0.472,89,398,440.467,2.525,5,0.432,0.83,1.0,0.3914741964224522,0.17509080940305669,0.2798300322116373,0.13725926941265162,0.24591357686244944
EOS-3-02693,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cccc(F)c4)n23)cc1,VSRAKCOFFFLEBT-UHFFFAOYSA-N,3,1,0.364,62,302,451.465,3.947,6,0.435,0.87,1.0,0.21674319786169557,0.23104996230553082,0.3054108697142074,0.4285775478034405,0.29544539442121853
EOS-3-02694,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(C)n5)nc4)n23)cc1,ZRLPSOCASXSSII-UHFFFAOYSA-N,3,1,0.357,62,139,421.464,3.583,5,0.476,0.86,1.0,0.15316804879720375,0.06936639024055925,0.4056610239188541,0.2714001781920362,0.22489891028716333
EOS-3-02695,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)ncn2)cn1,VJSVNVYDRVGNSV-UHFFFAOYSA-N,3,1,0.311,82,974,450.466,2.301,6,0.427,0.79,0.981,0.08950723048454527,0.025152491261736687,0.0269858131725036,0.03190322801727092,0.04338719073401412
EOS-3-02696,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4C)n23)cn1,SFNTUSFBKIFYGA-UHFFFAOYSA-N,3,1,0.345,82,204,440.442,3.117,5,0.457,0.79,1.0,0.3162994311561922,0.25138784182030016,0.3237697895963265,0.2446028373654993,0.28401497498457956
EOS-3-02697,CCOc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,NSAKWKRINOECDD-UHFFFAOYSA-N,3,1,0.541,48,17,441.85,3.66,4,0.469,0.8,1.0,0.8088462065656912,0.6209050099376328,0.7774484271126036,0.6884466451922417,0.7239115722020424
EOS-3-02698,COc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ccc(C(F)F)c(F)c3)n12,RPSNPJGGPKJSIK-UHFFFAOYSA-N,3,1,0.404,66,646,427.386,3.566,4,0.508,0.77,1.0,0.5346446439586047,0.5828507299019944,0.9288259886231238,0.840261119868412,0.7216456205880337
EOS-3-02699,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C(F)F)c5)cnn4)n23)cc1,BEUHKVMNQXMNLK-UHFFFAOYSA-N,3,1,0.333,74,333,447.409,2.867,5,0.44,0.78,1.0,0.1558923308889041,0.1469313275306696,0.5885563018298952,0.4317901446096909,0.33079252621478994
EOS-3-02700,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncc(F)c5)s4)n23)cc1,IIDHPCXJVGTQDW-UHFFFAOYSA-N,3,1,0.398,14,357,431.456,3.139,5,0.458,0.78,0.993,0.20293331505722706,0.15494140223425398,0.32024021657185936,0.29518196148310605,0.2433242238366116
EOS-3-02701,Cc1cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)ncn1,JRWIILCTFBRLRR-UHFFFAOYSA-N,3,1,0.321,52,582,448.49,3.511,6,0.438,0.83,1.0,0.11991124665889932,0.017142416558152285,0.21830237817832912,0.22709204304023028,0.14561202110890276
EOS-3-02702,COc1ncccc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,GPNWOJRADLVRMG-UHFFFAOYSA-N,3,1,0.483,63,536,416.441,2.666,5,0.494,0.91,1.0,0.417577616338839,0.09313103968199575,0.12517133849633336,0.08417860324857789,0.18001464944143647
EOS-3-02703,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccn(-c5ncccn5)c4)n23)nc1,VEMPUBIBADANRE-UHFFFAOYSA-N,3,1,0.304,33,432,423.44,2.326,6,0.461,0.85,1.0,0.04460797752038928,0.022865122335686383,0.047178054965389626,0.06599102186279213,0.045160544171064354
EOS-3-02704,N#Cc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)nc1,RPUCXKFRKHGPTB-UHFFFAOYSA-N,3,1,0.451,89,731,435.407,2.406,5,0.437,0.82,1.0,0.6254797477897334,0.34219724487697895,0.3985676101706531,0.28030121307655403,0.41163645397847987
EOS-3-02705,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cnc(F)cn5)cn4)n23)cc1,DOZDBTMPYCNXNV-UHFFFAOYSA-N,3,1,0.411,85,674,441.43,2.128,5,0.44,0.74,1.0,0.2279915701459804,0.22609827976149682,0.2219775889246796,0.15433315057227057,0.20760014735110685
EOS-3-02706,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnn(-c4cncnc4)c3)n12,XSYSZVVPXIKTQM-UHFFFAOYSA-N,3,1,0.291,74,450,437.467,2.635,6,0.449,0.77,1.0,0.006228154341717497,0.027362757864436982,0.1196799396888493,0.13285587005688437,0.07153168048797204
EOS-3-02707,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cc4Cl)n23)cc1,AVEAEFQUHFBRTC-UHFFFAOYSA-N,3,1,0.529,63,536,455.305,3.964,5,0.443,0.86,1.0,0.7033445274484271,0.4584589815639778,0.48798917140703174,0.6097680076759646,0.5648901720238504
EOS-3-02708,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnn5)cc4)n23)cc1,IKQKBWHKPLIKDO-UHFFFAOYSA-N,3,1,0.477,62,637,449.474,3.933,6,0.418,0.88,1.0,0.5318346926187376,0.2562795558906175,0.29825748749228975,0.3171646905626756,0.35088410664108005
EOS-3-02709,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncs5)cn4)n23)cc1,HEQHOBZFCKBJMT-UHFFFAOYSA-N,3,1,0.402,14,357,427.493,3.26,5,0.462,0.79,1.0,0.15859947913097114,0.08363032006031115,0.29826605441710646,0.19766465629497634,0.18454012747584128
EOS-3-02710,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,VVNLGEFEAOZRAN-UHFFFAOYSA-N,3,1,0.359,61,341,454.469,3.285,6,0.437,0.82,1.0,0.22214892742101294,0.19187341511890893,0.30541943663902404,0.37162463162223286,0.2727666027002947
EOS-3-02711,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)noc5C)cn4)n23)cc1,AOAZHUOEDGYRSY-UHFFFAOYSA-N,3,1,0.341,74,139,425.452,3.485,5,0.469,0.85,1.0,0.11991981358371599,0.08363888698512782,0.24706154478788295,0.13055993420601741,0.14529504489068604
EOS-3-02712,COc1cc(C(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,JZDWNGOEJHFPJZ-UHFFFAOYSA-N,3,1,0.352,0,862,435.434,4.297,5,0.489,0.89,0.999,0.4593413748200946,0.3664245082585155,0.7520646288808169,0.6969193338359263,0.5686874614488383
EOS-3-02713,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(Cl)nc3)n12,AMMIBXDWDGSXAJ-UHFFFAOYSA-N,3,1,0.352,63,334,419.876,3.026,5,0.499,0.81,1.0,0.1806507436090741,0.1792115002398739,0.14009492152696867,0.19767322321979303,0.17440759714892742
EOS-3-02714,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncc(C)n5)cc4)n23)cc1,BATJXPIMCVLLTK-UHFFFAOYSA-N,3,1,0.346,62,124,422.452,2.978,5,0.474,0.82,1.0,0.18346069494894113,0.05394592557055719,0.2763432938112535,0.1841631827839079,0.1744782742786649
EOS-3-02715,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccncc5)cn4)n23)cc1,FOGCJALKJCFCQJ-UHFFFAOYSA-N,3,1,0.412,14,357,421.464,3.199,5,0.468,0.82,1.0,0.17469673086148996,0.05798094715920773,0.43486567061887466,0.3263912685902269,0.24848365430744979
EOS-3-02716,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cn5)n4)n23)cc1,HILZBJDWZGKDCE-UHFFFAOYSA-N,3,1,0.353,74,333,432.835,1.842,5,0.455,0.78,1.0,0.09191453635802892,0.19640531834692618,0.06624802960729216,0.08418717017339455,0.10968876362141045
EOS-3-02717,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5C)cc4F)n23)cc1F,SKMJBCRMXQYBCO-UHFFFAOYSA-N,3,1,0.333,96,648,457.444,3.862,5,0.44,0.85,1.0,0.34799705297786304,0.3079381125351244,0.77493831814132,0.696927900760743,0.5319503461037626
EOS-3-02718,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5cccnc5)nn4)n23)cc1,IXRWVPKUDLWANK-UHFFFAOYSA-N,3,1,0.581,89,731,427.428,1.706,5,0.434,0.85,1.0,0.15317661572202043,0.13594852991570147,0.1337296963881845,0.06777294222465903,0.12265694606264135
EOS-3-02719,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(C(F)(F)F)c4)n23)c(Cl)c1,LVRFCADBAIEJGE-UHFFFAOYSA-N,3,1,0.394,66,225,449.795,4.292,4,0.471,0.83,1.0,0.47120656569117947,0.5972088958947296,0.9930779247481324,0.9860701802480981,0.7618908916455348
EOS-3-02720,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cn4)n23)cc1,MEEXYXQLVJTYDD-UHFFFAOYSA-N,3,1,0.382,14,357,422.452,2.594,5,0.463,0.79,1.0,0.14460112398053596,0.050304982523473374,0.2722483037488863,0.18156740456445755,0.16218045370433828
EOS-3-02721,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2)cn1,WWTMQCOKQVIDAB-UHFFFAOYSA-N,3,1,0.402,62,319,421.464,3.246,5,0.466,0.85,1.0,0.18346926187375778,0.0579895140840244,0.4348742375436913,0.3171732574874923,0.24837656774724143
EOS-3-02722,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncccn5)cn4)n23)cc1,GSOZHUGGJDXFNN-UHFFFAOYSA-N,3,1,0.388,89,310,450.462,3.328,6,0.418,0.87,1.0,0.45020903296552667,0.18759851963539168,0.1369765608937016,0.13056850113083407,0.2263381536563635
EOS-3-02723,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)nc1)N1CCCC1,YKVIRSXZBWKHPL-UHFFFAOYSA-N,3,1,0.374,52,376,447.502,4.151,6,0.411,0.91,1.0,0.06084230004797478,0.012918922623535056,0.017373723528202316,0.09954766636967995,0.04767065314234803
EOS-3-02724,Cn1ncnc1-c1cc(F)cc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c1,DXLJTROYATZUEZ-UHFFFAOYSA-N,3,1,0.343,61,648,432.394,2.631,5,0.467,0.75,1.0,0.21390754574737852,0.15869371530395449,0.5529093276677404,0.536932012884655,0.3656106504009321
EOS-3-02725,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(F)c1,FRUCZGAWCNIWSX-UHFFFAOYSA-N,3,1,0.396,0,862,474.471,3.521,6,0.445,0.88,1.0,0.3431910081557124,0.3182612569392091,0.2982746213419231,0.4411537934343088,0.3502201699677884
EOS-3-02726,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ncc(F)cn5)nn4C)n23)cc1F,VXDFPPYWNCKHQY-UHFFFAOYSA-N,3,1,0.345,50,413,448.397,1.682,5,0.44,0.76,0.854,0.20294188198204371,0.20581180179562744,0.06820985539030909,0.07912411760674389,0.13902191419368104
EOS-3-02727,CCNC(=O)c1ccc(-c2nnc3cncc(C=Cc4ccc(Cl)c(F)c4)n23)nc1,OFKOXQPJXGDFRY-UHFFFAOYSA-N,3,1,0.394,63,505,422.851,3.899,4,0.527,0.84,0.871,0.3005962579672401,0.33222534439037765,0.5948872592694127,0.5403587828113221,0.44201691110958813
EOS-3-02728,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cccnc4-c4ncc(F)cn4)n23)cc1,CGHKKSJTQFDRQD-UHFFFAOYSA-N,3,1,0.321,52,582,452.453,3.342,6,0.435,0.81,1.0,0.16131519429785485,0.17042183537797273,0.1459204304023028,0.2239479816325132,0.17540136042766089
EOS-3-02729,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cc(Cl)n4)n23)cc1,ASEKXMQFNHGJSH-UHFFFAOYSA-N,3,1,0.369,74,139,442.87,3.323,5,0.425,0.82,1.0,0.1613237612226715,0.2058203687204441,0.5087039956137345,0.45394421218559383,0.33244808443561097
EOS-3-02730,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncc(F)c5)c4)n23)cc1,SXSWKNIJXPPYSP-UHFFFAOYSA-N,3,1,0.432,14,319,442.429,3.821,5,0.446,0.81,1.0,0.3684805702145158,0.2615310808032349,0.8587142759235145,0.8321139743677609,0.5802099753272565
EOS-3-02731,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(Cc5ccccc5C)n4)n23)cc1,RTDLJDGVGXBQIN-UHFFFAOYSA-N,3,1,0.318,62,124,438.495,3.156,5,0.437,0.8,1.0,0.10172366527311356,0.08995271057501199,0.14592899732711945,0.09348228359947913,0.10777191419368103
EOS-3-02732,OCc1cc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)ccc1Cl,DFXFRILKYPHETK-UHFFFAOYSA-N,3,1,0.512,68,900,436.781,3.325,4,0.512,0.75,1.0,0.9019344116236035,0.9391491330272086,0.9764495236789802,0.9532931258995271,0.9427065485573299
EOS-3-02733,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ncc(-c5nc(C)no5)cc4F)n23)cc1,OKAAHFVVWKRTMX-UHFFFAOYSA-N,3,1,0.418,89,412,446.402,2.836,5,0.432,0.82,1.0,0.6226440956754163,0.41866561579055583,0.21480707285312864,0.1102820231649647,0.34159970187101635
EOS-3-02734,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCCC6)cc5)n34)cn2)o1,XABPZYCKBQJXBU-UHFFFAOYSA-N,3,1,0.366,52,376,452.478,3.448,6,0.407,0.88,1.0,0.030643890069220754,0.007144815297100953,0.00312692755808375,0.008746830237817834,0.012415615790555822
EOS-3-02735,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)cn5)ncn4)n23)cc1,WYRHHLKPTFOVEL-UHFFFAOYSA-N,3,1,0.457,89,463,453.466,2.285,5,0.411,0.83,1.0,0.4712151326159962,0.18760708656020836,0.12792132136248371,0.05252381605099034,0.20981683914741964
EOS-3-02736,O=C(NC1CCC1)c1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cn1,YNRKWCZGKXPIHC-UHFFFAOYSA-N,3,1,0.386,63,9,453.333,4.366,5,0.485,0.84,1.0,0.26304742649578505,0.40465869371530394,0.20815913919539442,0.49063635117538207,0.34162540264546637
EOS-3-02737,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)c5)cn4)n23)cn1,AFBPFPUQMJQIAM-UHFFFAOYSA-N,3,1,0.452,97,969,456.441,2.721,5,0.414,0.85,1.0,0.6115927626619149,0.45846754848879445,0.2944880405729559,0.23585600712768146,0.4001010897128367
EOS-3-02738,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(Cl)nc5)n4)n23)cc1,BUUMURAKWXMIGF-UHFFFAOYSA-N,3,1,0.378,74,333,443.858,2.718,5,0.42,0.8,1.0,0.20035467068741006,0.23105852923034748,0.2686844630251525,0.26259337948050165,0.2406727606058529
EOS-3-02739,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnc5)cc4)n23)nc1,JIXXEUKJLYYPNN-UHFFFAOYSA-N,3,1,0.383,14,319,421.464,3.199,5,0.468,0.84,0.998,0.15860804605578782,0.06586251799054212,0.3948238640257693,0.32639983551504353,0.2364235658967857
EOS-3-02740,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cn5)ccc4F)n23)cc1,QKMXSCZRLUGKFL-UHFFFAOYSA-N,3,1,0.424,96,140,429.39,3.292,5,0.469,0.79,1.0,0.292731820985539,0.2822287711603043,0.6225327256527997,0.6033856486875471,0.45021974162154754
EOS-3-02741,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)cc1F,UDGJBAZDVOYZPT-UHFFFAOYSA-N,3,1,0.361,96,648,429.39,3.292,5,0.469,0.79,1.0,0.26305599342060176,0.2513964087451169,0.8205571927900761,0.8053080666164074,0.5350794153930505
EOS-3-02742,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC)c(C#N)c4)n23)c(F)c1F,GUYMCIAJKBOQGH-UHFFFAOYSA-N,3,1,0.34,0,129,420.379,2.976,4,0.544,0.79,1.0,0.5770851895003769,0.5630868343499418,0.8744945514358166,0.7635100404358851,0.6945441539305051
EOS-3-02743,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4F)n23)c(Cl)c1,IMPRYZWWIRZINI-UHFFFAOYSA-N,3,1,0.416,0,646,456.308,4.72,5,0.472,0.87,1.0,0.27594064834487014,0.44529161812075935,0.7543177301076006,0.8866167500514015,0.5905416866561579
EOS-3-02744,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4cccc(F)c4)n23)cc1,MMVATJYJBAXPKL-UHFFFAOYSA-N,3,1,0.396,62,3,430.468,4.081,5,0.464,0.86,1.0,0.18065931053389075,0.2770971831951203,0.5087125625385511,0.48159824549379754,0.3620168254403399
EOS-3-02745,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(C(F)(F)F)c4F)n23)cc1,PHAWYCBVQFAVGJ-UHFFFAOYSA-N,3,1,0.495,66,264,455.415,4.432,5,0.452,0.87,1.0,0.48880302926461516,0.582859296826811,0.9480159002124597,0.9265985881707902,0.736569203618669
EOS-3-02746,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nc4)n23)cc1,RQLRJKCWYJIGDY-UHFFFAOYSA-N,3,1,0.535,89,656,438.451,2.582,5,0.43,0.8,1.0,0.5945531492015627,0.19641388527174286,0.3799859502433007,0.21568089918442876,0.34665847097525876
EOS-3-02747,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1,NUDWFRLGQKXYTI-UHFFFAOYSA-N,3,1,0.477,51,943,439.439,1.977,5,0.421,0.8,1.0,0.5827479268041944,0.25140497566993353,0.20102289082311015,0.0995562332944966,0.28368300664793367
EOS-3-02748,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ncc4F)n23)cc1,DSPCQZRFBVAGGB-UHFFFAOYSA-N,3,1,0.614,63,536,452.877,3.493,5,0.431,0.83,1.0,0.6171955314920157,0.41407374408882186,0.4162497429922555,0.4936176410115825,0.4852841648961689
EOS-3-02749,N#Cc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,QEXZPPSKKDKCCH-UHFFFAOYSA-N,3,1,0.305,52,295,448.45,2.198,6,0.432,0.79,0.974,0.052223973682406964,0.08364745390994449,0.10043005962579672,0.13057706805565075,0.09171963881844974
EOS-3-02750,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ncc(F)cn5)n4)n23)cc1,GQVJRWSMSGICPV-UHFFFAOYSA-N,3,1,0.371,74,333,427.403,2.204,5,0.463,0.77,1.0,0.24975155918031663,0.1664382153382222,0.15829963676238779,0.12204441093824961,0.17413345555479406
EOS-3-02751,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cccc(C)c5F)c4)n23)cc1,LBFHVOYQZGATQL-UHFFFAOYSA-N,3,1,0.353,62,3,438.466,4.327,5,0.452,0.89,1.0,0.3409636077033788,0.24640189157699952,0.7611284353368515,0.6563806456034542,0.501218645055171
EOS-3-02752,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4)n23)cc1F,PPFKUZPDWUFENN-UHFFFAOYSA-N,3,1,0.343,62,3,442.429,4.158,5,0.452,0.85,1.0,0.3110479062435748,0.37607086560208347,0.7969039133712562,0.7851158248235214,0.567284627510109
EOS-3-02753,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cc4)n23)cc1F,JBGYQBGCKFDLEH-UHFFFAOYSA-N,3,1,0.357,62,3,442.429,4.158,5,0.452,0.85,1.0,0.3456497155780961,0.31826982386402575,0.8317113289013776,0.7988743060790898,0.5736262936056473
EOS-3-02754,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)c(C)c1,PQDFMGNKLVXWSZ-UHFFFAOYSA-N,3,1,0.376,66,455,428.378,2.254,4,0.531,0.69,1.0,0.23885443081351518,0.25628812281543417,0.4634363648824618,0.24176718525118224,0.30008652594064833
EOS-3-02755,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnn(-c5ccccn5)c4)n23)cc1,MQSBFSDPSJFZRU-UHFFFAOYSA-N,3,1,0.467,89,398,452.478,2.843,6,0.404,0.85,1.0,0.2682732506339524,0.10270886162703036,0.11692138989788226,0.1197313412377493,0.15190871084915358
EOS-3-02756,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cn5)n34)cc2)nn1,IKFYDBDYVRWZGS-UHFFFAOYSA-N,3,1,0.312,52,295,449.478,2.906,6,0.434,0.79,1.0,0.1473768076211363,0.08996127749982866,0.07474641902542663,0.09549551093139606,0.10189500376944692
EOS-3-02757,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccccc5F)c4)n23)cn1,MLYRCDBSBNZJKI-UHFFFAOYSA-N,3,1,0.44,57,358,442.429,3.821,5,0.446,0.83,0.999,0.2416386813789322,0.2978891097251731,0.7749468850661366,0.785124391748338,0.524899766979645
EOS-3-02758,COc1ncccc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(Br)c3)n12,ODEGLIJGSPTMST-UHFFFAOYSA-N,3,1,0.381,63,306,479.338,3.44,5,0.456,0.92,1.0,0.3261685285449935,0.21557809608662876,0.14292200671646907,0.15182304160098692,0.20912291823726956
EOS-3-02759,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5nnn(C)n5)nc4)n23)cc1F,GRBUQCNLRKAIBG-UHFFFAOYSA-N,3,1,0.333,50,413,431.395,0.937,5,0.44,0.77,1.0,0.23329449660749776,0.19642245219655952,0.04089849907477212,0.03191179494208759,0.12563181070522925
EOS-3-02760,CCn1cncc1-c1cncc(-c2nnc3cncc(CNC(=O)c4cccc(F)c4)n23)c1,HVPHNFHJVTYIDP-UHFFFAOYSA-N,3,1,0.571,82,328,442.458,3.139,5,0.433,0.81,1.0,0.0740096634911932,0.17922006716469055,0.35731786717839764,0.2983774244397231,0.2272312555685011
EOS-3-02761,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)cn1,WXJLZGSDVOJQDS-UHFFFAOYSA-N,3,1,0.262,33,450,426.444,1.665,6,0.454,0.8,1.0,0.015077787677335345,0.007830169282434378,0.034113494619971214,0.03965629497635529,0.02416943663902406
EOS-3-02762,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnccn5)cn4)n23)nc1,CGLZFSJGBBVFAP-UHFFFAOYSA-N,3,1,0.32,33,647,449.478,2.521,6,0.419,0.8,1.0,0.06612809265985882,0.04292886025632239,0.06219587416900829,0.082448084435611,0.06342522788020014
EOS-3-02763,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccsc5)cc4)n23)cn1,JVTPEOVQGSJMSA-UHFFFAOYSA-N,3,1,0.391,14,357,426.505,3.865,5,0.461,0.86,1.0,0.1531851826468371,0.10271742855184703,0.37248132410389967,0.3201545473236927,0.2371346206565691
EOS-3-02764,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nc[nH]n5)cc4)n23)cc1,RDQAQRNHWGFZCW-UHFFFAOYSA-N,3,1,0.37,62,916,436.479,3.059,6,0.423,0.88,1.0,0.18920053457610855,0.08012644781029402,0.17449112466588992,0.2037471729148105,0.16189131999177575
EOS-3-02765,CNC(=O)c1ccc(-c2nnc3cncc(-c4oc(C)nc4-c4ccc(F)cc4)n23)cc1F,JZILDSXWKOMWTL-UHFFFAOYSA-N,3,1,0.366,62,648,446.417,4.06,5,0.447,0.84,1.0,0.34800561990267975,0.4497292851757933,0.6282468645055171,0.5854465081214447,0.5028570694263587
EOS-3-02766,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1,UDWGIGZIYBAVPM-UHFFFAOYSA-N,3,1,0.371,61,681,458.432,3.209,6,0.434,0.79,0.967,0.117495373860599,0.2106692481666781,0.3458553217736961,0.46011239805359466,0.283533085463642
EOS-3-02767,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(OC)cc5)n4)n23)c(F)c1,PKXAWAHBYLJIFU-UHFFFAOYSA-N,3,1,0.4,29,704,456.441,2.818,5,0.429,0.84,1.0,0.5187872661229525,0.5630954012747584,0.3610273456240148,0.2417757521759989,0.4211714412994311
EOS-3-02768,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C)n5)ccc4Cl)n23)cc1F,OKPODFCHLYFEPZ-UHFFFAOYSA-N,3,1,0.333,61,648,462.876,3.406,5,0.439,0.81,1.0,0.33125728188609416,0.38084264272496743,0.6134946199712151,0.5884706325817285,0.4785162942910013
EOS-3-02769,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C#N)cc5)cc4)n23)cc1,UIRLJFUFMQRIKT-UHFFFAOYSA-N,3,1,0.451,62,472,430.471,4.357,5,0.457,0.91,1.0,0.3431995750805291,0.23106709615516413,0.8446388184497293,0.7920807346994723,0.5527465560962237
EOS-3-02770,Cc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccn2)nn1,RDIHUWQFEGRLLK-UHFFFAOYSA-N,3,1,0.321,52,582,448.49,3.511,6,0.438,0.84,1.0,0.1227126310739497,0.02737132478925365,0.1522256870673703,0.17033616612980604,0.11816145226509492
EOS-3-02771,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cc(F)ccn5)ncn4)n23)cc1,HWVWHWOYLASANW-UHFFFAOYSA-N,3,1,0.35,74,423,452.453,3.342,6,0.435,0.83,1.0,0.1559008978137208,0.16644678226303886,0.2686930299499692,0.33929305736412857,0.23258344184771435
EOS-3-02772,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(F)c5)cn4)n23)cc1,UMMBCRFEIAKMJS-UHFFFAOYSA-N,3,1,0.533,1,230,441.426,3.065,5,0.43,0.82,1.0,0.6854053868823248,0.3422058118017956,0.5325114796792544,0.4569683366458776,0.5042727537523131
EOS-3-02773,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1,UNSVMXFDMMRZMA-UHFFFAOYSA-N,3,1,0.426,62,319,455.909,3.852,5,0.432,0.83,1.0,0.3138064560345418,0.26153964772805155,0.562564251936125,0.5035724076485505,0.4103706908368172
EOS-3-02774,Cn1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,UAKQISROBVRDPO-UHFFFAOYSA-N,3,1,0.364,52,916,452.482,1.86,6,0.413,0.81,1.0,0.0781903228017271,0.03918511411143856,0.021717154410252897,0.027157151668836955,0.041562435748063876
EOS-3-02775,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cc1,AARWHAXQVAHFSD-UHFFFAOYSA-N,3,1,0.404,0,21,412.453,2.793,5,0.555,0.92,1.0,0.06428620382427523,0.0037351792200671645,0.007881570831334384,0.02354190939620314,0.02486121581796998
EOS-3-02776,N#Cc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)ccn2)c1,RJWZHLJUBUJCEJ-UHFFFAOYSA-N,3,1,0.337,96,648,436.41,3.025,5,0.457,0.79,1.0,0.2416472483037489,0.2155866630114454,0.7424354053868824,0.7050750462613941,0.4761860907408677
EOS-3-02777,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4Cl)n23)cc1,PLNYEYSHOSACDH-UHFFFAOYSA-N,3,1,0.554,0,536,454.317,4.569,5,0.462,0.9,1.0,0.7693955177849359,0.587888081694195,0.6578455897471044,0.7733277362757864,0.6971142313755054
EOS-3-02778,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cccnn5)ncn4)n23)cc1F,MIIBIXJCRBNZAP-UHFFFAOYSA-N,3,1,0.368,85,357,441.43,2.128,5,0.44,0.74,1.0,0.254797477897334,0.22076108560071278,0.2543348639572339,0.20676273045027757,0.23416403947638956
EOS-3-02779,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCC#N)nc4)n23)c(F)c1F,HRVWLXDBGYCXFY-UHFFFAOYSA-N,3,1,0.318,0,129,448.393,1.744,4,0.444,0.77,1.0,0.33371598930847785,0.3422143787266123,0.4531046535535604,0.3329449660749777,0.36549499691590703
EOS-3-02780,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccnc5F)c4)n23)cc1,JAZBSZHWIXVKOA-UHFFFAOYSA-N,3,1,0.396,62,319,439.454,3.338,5,0.422,0.82,1.0,0.2305702145157974,0.20141696936467685,0.5563103968199575,0.4411623603591255,0.3573649852648893
EOS-3-02781,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)cc2)c1F,OORVJEKIEUMWHX-UHFFFAOYSA-N,3,1,0.376,52,336,454.469,3.285,6,0.437,0.79,1.0,0.11750394078541566,0.17922863408950723,0.21831094510314578,0.27741415941333697,0.1981144198478514
EOS-3-02782,O=C(c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cc1)N1CCC1,ZAXLKWIBLQODSS-UHFFFAOYSA-N,3,1,0.343,52,376,452.453,3.295,6,0.412,0.85,1.0,0.10677815091494756,0.16255739839627167,0.02377321636625317,0.1372678363374683,0.10759415050373518
EOS-3-02783,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)cc1,XLKJVMNGCCDEEJ-UHFFFAOYSA-N,3,1,0.561,89,230,423.436,2.926,5,0.446,0.86,1.0,0.6369165924199849,0.1792372010143239,0.46344493180727847,0.3296552669453773,0.4023134980467411
EOS-3-02784,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COCCc4cccc(Cl)c4)n23)cc1,ZPZWERKSYAMQSH-UHFFFAOYSA-N,3,1,0.485,0,862,447.926,4.096,5,0.411,0.91,1.0,0.37308100884106643,0.31300116510177506,0.3838839010348845,0.5035809745733671,0.39338676238777326
EOS-3-02785,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(CCC(=O)OC)cc4)n23)cc1,PGYDVLUKQOVWEQ-UHFFFAOYSA-N,3,1,0.518,0,576,445.479,2.836,4,0.416,0.9,1.0,0.5688438078267425,0.17924576793914057,0.26488931533136867,0.09956480021931327,0.27813592282914124
EOS-3-02786,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(F)cn5)n4)n23)cc1,GCUBXAFHUIZNTP-UHFFFAOYSA-N,3,1,0.389,62,423,425.427,3.414,5,0.474,0.8,1.0,0.25480604482215063,0.2358645740524981,0.5013964087451168,0.42535638407237336,0.35435585292303473
EOS-3-02787,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnco5)n4)n23)cc1F,SROCTIXBIFMKRL-UHFFFAOYSA-N,3,1,0.321,74,423,442.414,2.935,6,0.441,0.78,1.0,0.22215749434582963,0.18321225412925776,0.13698512781851827,0.21280241244602838,0.18878932218490851
EOS-3-02788,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccs5)n4)n23)cc1,RRUQIBONAWCKEE-UHFFFAOYSA-N,3,1,0.457,89,731,443.492,3.248,5,0.429,0.81,1.0,0.529478788294154,0.3130097320265917,0.2291052703721472,0.13483482968953464,0.30160715509560687
EOS-3-02789,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccccc5)ncn4)n23)cc1,HEVJHFAIGLTZTN-UHFFFAOYSA-N,3,1,0.398,62,302,447.502,3.731,6,0.426,0.84,1.0,0.16133232814748819,0.06937495716537592,0.19751045164827633,0.2566736344321842,0.17122284284833117
EOS-3-02790,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cncnc5)c4)n23)cn1,SURYTBHDSQECHT-UHFFFAOYSA-N,3,1,0.304,82,514,435.451,2.598,6,0.447,0.79,0.99,0.10918545678843122,0.05395449249537386,0.08621753135494482,0.12205297786306628,0.09285261462545405
EOS-3-02791,COc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ncc(OC4CCC4)cn3)n12,HBVBWQHIGBTQNX-UHFFFAOYSA-N,3,1,0.302,63,66,458.482,2.475,6,0.444,0.82,0.994,0.2630645603454184,0.06587108491535879,0.003135494482900418,0.005585634980467411,0.08441419368103627
EOS-3-02792,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccccc5)n4)n23)cc1,TXOVJFWTZTWDMU-UHFFFAOYSA-N,3,1,0.506,1,347,437.463,3.187,5,0.435,0.84,1.0,0.5827564937290111,0.27710575011993693,0.30175279281749023,0.1896717154410253,0.33782168802686585
EOS-3-02793,COc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nc4)n23)cn1,XPZHBFQLPNEFOX-UHFFFAOYSA-N,3,1,0.389,78,169,415.457,2.883,5,0.505,0.91,1.0,0.02060345418408608,0.0053885957096840515,0.0011394010006168186,0.0023473373997669796,0.007369697073538482
EOS-3-02794,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nc(C)no5)n4)n23)cc1,GPVCIFPIWHBTBZ-UHFFFAOYSA-N,3,1,0.474,89,731,442.439,2.483,5,0.421,0.85,1.0,0.4064063463779042,0.19188198204372559,0.0980398876019464,0.038422657802755125,0.18368771845658283
EOS-3-02795,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C)c5)ccc4Cl)n23)cn1,WSMNCGWBPDNQHR-UHFFFAOYSA-N,3,1,0.349,82,336,444.886,3.267,5,0.456,0.82,1.0,0.15319374957165377,0.27193132753066956,0.4457370982112261,0.4029453087519704,0.31845187101637995
EOS-3-02796,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3nc(-c4ccc(Cl)cc4)no3)n12,QPHNPDSOHLFTJH-UHFFFAOYSA-N,3,1,0.385,96,837,431.843,3.569,5,0.461,0.84,1.0,0.28998183811938866,0.4092077307929546,0.3385220341306285,0.3684291686656158,0.3515351929271469
EOS-3-02797,Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cnc1CF,PHJISTKKFVWCLH-UHFFFAOYSA-N,3,1,0.402,63,334,416.46,3.447,5,0.52,0.88,1.0,0.24405455417723254,0.1027259954766637,0.1840261119868412,0.20375573983962716,0.18364060037009114
EOS-3-02798,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)cc4OC4CCCC4)n23)cc1,BAJBMIYSUPOJBA-UHFFFAOYSA-N,3,1,0.368,0,21,431.471,4.278,5,0.51,0.85,0.994,0.4406826125693921,0.4186741827153725,0.2543434308820506,0.37163319854704957,0.3713333561784662
EOS-3-02799,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccn5)n4)n23)cc1,XEUZOKIPJAZZAK-UHFFFAOYSA-N,3,1,0.333,62,423,433.475,3.808,6,0.453,0.83,1.0,0.09192310328284559,0.05396305942019053,0.18723014186827497,0.23891439928723185,0.14300767596463573
EOS-3-02800,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)cc1,XKCNLYRAMGDWGO-UHFFFAOYSA-N,3,1,0.344,25,791,432.451,3.106,6,0.418,0.86,1.0,0.11992838050853266,0.08996984442464533,0.1647076965252553,0.23892296621204853,0.15338222191762046
EOS-3-02801,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)cn1,LNSXVFHMAQDGEH-UHFFFAOYSA-N,3,1,0.314,74,295,437.467,2.541,6,0.449,0.8,1.0,0.0681841546158591,0.010931396066068124,0.10838873278048111,0.11514803646083202,0.0756630799808101
EOS-3-02802,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)nn1)N1CCCC1,ZJPPRGQEORNJPL-UHFFFAOYSA-N,3,1,0.4,52,800,450.466,2.336,6,0.405,0.84,1.0,0.02482694811870331,0.004086423137550545,0.0009680625042834624,0.0027157151668836953,0.008149287231855254
EOS-3-02803,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(F)cc4)n23)cc1,JPOOFVMNKSCCHZ-UHFFFAOYSA-N,3,1,0.384,62,302,440.438,4.145,6,0.441,0.89,1.0,0.31381502295935854,0.3664330751833322,0.37629360564731684,0.47554999657323005,0.3830229250908094
EOS-3-02804,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncs5)cc4)n23)cc1,JXJCEKCAVBGAMX-UHFFFAOYSA-N,3,1,0.418,62,319,426.505,3.865,5,0.461,0.84,1.0,0.2440631211020492,0.10595572613254746,0.4843310945103146,0.3749057638270167,0.30231392639298194
EOS-3-02805,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(C)nn5)nc4)n23)cc1,KNVVRUOAKQBPRZ-UHFFFAOYSA-N,3,1,0.396,85,740,437.467,2.297,5,0.444,0.74,1.0,0.13662531697621821,0.06175896100335823,0.11094167637584812,0.0582293879788911,0.09188883558357891
EOS-3-02806,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,DPKGDOWENYRVHA-UHFFFAOYSA-N,3,1,0.478,89,731,438.451,2.582,5,0.43,0.81,1.0,0.4863014872181482,0.2358731409773148,0.27635186073607015,0.15434171749708725,0.28821705160715505
EOS-3-02807,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)c4)n23)cc1,CENAAAFZSZQJRN-UHFFFAOYSA-N,3,1,0.5,89,656,438.451,2.582,5,0.43,0.81,1.0,0.5857806181892947,0.18322082105407442,0.3536854910561305,0.21568946610924541,0.3345940991021863
EOS-3-02808,Cc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4C(F)F)n23)nn1C,FOIIOMMOZRYPCA-UHFFFAOYSA-N,3,1,0.288,63,66,425.403,2.12,5,0.521,0.74,0.95,0.12272119799876637,0.13595709684051813,0.01333013501473511,0.016045850181618807,0.07201357000890961
EOS-3-02809,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cn1,SPKWKJZNINSCSR-UHFFFAOYSA-N,3,1,0.495,63,66,454.853,2.282,5,0.451,0.78,1.0,0.5448135837159893,0.42754951682544035,0.054605578781440615,0.12438318141319991,0.28783796518401755
EOS-3-02810,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)nc1)N1CCCC1,ODTNVGWUUWNDLU-UHFFFAOYSA-N,3,1,0.385,52,821,448.49,3.546,6,0.414,0.85,1.0,0.05727845932424097,0.00914947570420122,0.011788088547734905,0.06283839353025839,0.035263604276608865
EOS-3-02811,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Br)c(F)c4)n23)nc1)N1CC(F)C1,YLKXTYCMOQUXEI-UHFFFAOYSA-N,3,1,0.4,0,999,471.265,3.549,5,0.457,0.83,1.0,0.377835652114317,0.4322099239257076,0.3724898910287163,0.5599770406414913,0.43562812692755815
EOS-3-02812,CCCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,OBTQLYXZUUYAEW-UHFFFAOYSA-N,3,1,0.322,74,333,439.483,2.881,5,0.432,0.83,1.0,0.09439037763004592,0.020637721883352753,0.02378178329106984,0.020312178740319375,0.03978051538619697
EOS-3-02813,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)nc4)n23)nc1,ULAUPJPPUKWJOO-UHFFFAOYSA-N,3,1,0.32,63,169,414.429,1.454,5,0.537,0.88,0.999,0.06819272154067577,0.018675896100335824,0.0019532588582002602,0.001430676444383524,0.022563138235898842
EOS-3-02814,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(OC(F)F)cn4)n23)cc1,UDVGGRMFHXPURW-UHFFFAOYSA-N,3,1,0.619,66,12,440.41,3.116,4,0.449,0.77,1.0,0.5770937564251936,0.49891200054828316,0.6659070659995888,0.4601209649784114,0.5505084469878692
EOS-3-02815,CN(C)c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,MGQONEFAISQDBO-UHFFFAOYSA-N,3,1,0.358,63,505,413.485,2.735,5,0.523,0.9,1.0,0.05728702624905764,0.009158042629017888,0.11692995682269892,0.0659995887876088,0.06234365362209582
EOS-3-02816,Cc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,PZQAJLQIIGUHNX-UHFFFAOYSA-N,3,1,0.333,52,269,450.506,3.454,6,0.44,0.85,1.0,0.15861661298060448,0.03628092659858817,0.15223425399218696,0.17034473305462272,0.12936913165650057
EOS-3-02817,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cn1,KXWXRFZLAGPEJD-UHFFFAOYSA-N,3,1,0.359,63,175,414.429,1.583,5,0.536,0.86,0.973,0.022736618463436366,0.004934548694400658,0.0008995271057501199,0.0010451648276334727,0.007403964772805155
EOS-3-02818,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)nc(C)n4)n23)cc1F,DGIOTWGKMOVZQC-UHFFFAOYSA-N,3,1,0.484,68,12,461.379,2.986,4,0.456,0.77,1.0,0.754848879446234,0.6547614968131039,0.8462836680145295,0.6097765746007813,0.7164176547186621
EOS-3-02819,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5C)nn4C)n23)nc1,CFWFGQSMQUWBDG-UHFFFAOYSA-N,3,1,0.3,33,523,425.456,2.317,5,0.47,0.79,0.999,0.06085086697279145,0.0617675279281749,0.03670927283942156,0.02115173737235282,0.045119851278185186
EOS-3-02820,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)c(Cl)c1,DPVMZRLEINECOG-UHFFFAOYSA-N,3,1,0.416,66,455,473.846,3.737,5,0.474,0.82,1.0,0.287291823726955,0.4542269207045439,0.7269806730176136,0.7162634500719621,0.5461907168802687
EOS-3-02821,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncon5)c4)n23)cc1,VCHMEGMEMLWTIG-UHFFFAOYSA-N,3,1,0.473,89,398,454.45,2.708,6,0.394,0.87,1.0,0.42463676238777326,0.12895791926530054,0.09536700705914605,0.09957336714412994,0.18713376396408743
EOS-3-02822,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)n1,RADXHZOSVYJIHA-UHFFFAOYSA-N,3,1,0.33,61,269,437.467,2.541,6,0.449,0.79,1.0,0.20863032006031115,0.042937427181139055,0.06415769995202522,0.09158899321499554,0.10182861010211773
EOS-3-02823,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)c(F)c1,MXJQSDIYPFQHMB-UHFFFAOYSA-N,3,1,0.337,25,219,450.441,3.245,6,0.402,0.85,0.998,0.22508738263313002,0.3079466794599411,0.2873860598999383,0.3909173463093688,0.3028343670755945
EOS-3-02824,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccn5)c4)n23)cc1,IGKYJEKPLXLHEA-UHFFFAOYSA-N,3,1,0.529,1,637,436.475,3.792,5,0.435,0.87,1.0,0.7033530943732438,0.29288602563223903,0.5694948941128093,0.42536495099719007,0.49777474127887056
EOS-3-02825,CN(C)C(=O)c1nccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1F,NWLGDSKRZYLTSF-UHFFFAOYSA-N,3,1,0.561,90,555,444.829,3.399,4,0.469,0.78,1.0,0.7548574463710507,0.8084349941744912,0.5661709272839421,0.5403673497361388,0.6674576793914058
EOS-3-02826,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)o1,BQOREKONEPYEDD-UHFFFAOYSA-N,3,1,0.364,52,916,452.478,3.028,6,0.417,0.83,1.0,0.15060653827702009,0.03919368103625523,0.05636179836885751,0.0612620793639915,0.07685602426153108
EOS-3-02827,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)cc1)N1CCOCC1,XTMQZPYDQYJJIA-UHFFFAOYSA-N,3,1,0.413,52,229,464.489,2.783,6,0.399,0.88,1.0,0.02720855321773696,0.001207936399150161,0.013912685902268521,0.043357206497155784,0.021421595504077857
EOS-3-02828,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cccnn5)c4)n23)cn1,KVEOBVZAQJJRFD-UHFFFAOYSA-N,3,1,0.404,14,81,440.442,2.733,5,0.447,0.77,1.0,0.19739051470084298,0.21067781509149475,0.3763021725721335,0.3231958056336098,0.2768915769995203
EOS-3-02829,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5ccccc5)nn4)n23)cc1,GTVOSQNRMONLDX-UHFFFAOYSA-N,3,1,0.426,62,319,425.427,3.077,5,0.463,0.8,1.0,0.23057878144061408,0.22076965252552944,0.40199438009732025,0.4029538756767871,0.31407417243506275
EOS-3-02830,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)nc5)nn4)n23)cc1,DOTIEXOXXZZCRU-UHFFFAOYSA-N,3,1,0.323,74,997,457.885,2.98,6,0.403,0.86,1.0,0.04594441779178946,0.15092351449523678,0.15224282091700364,0.25668220135700087,0.1514482386402577
EOS-3-02831,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)cn5)n34)cn2)cn1,KFVLTDXVBMRJEK-UHFFFAOYSA-N,3,1,0.375,52,229,467.493,2.121,6,0.395,0.91,1.0,0.00832705092180111,0.0010965663765334795,0.006502295935850867,0.012790418751285039,0.007179082996367624
EOS-3-02832,CCOCc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,WFJPCHCQRFCBKO-UHFFFAOYSA-N,3,1,0.276,63,108,415.457,2.677,5,0.494,0.94,1.0,0.147385374545953,0.0539716263450072,0.06220444109382496,0.07136248372284285,0.08373098142690699
EOS-3-02833,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(OC)cn5)cc4F)n23)cc1,ZFFGVZWMDZHMBD-UHFFFAOYSA-N,3,1,0.374,62,124,455.453,3.423,5,0.433,0.86,1.0,0.597328832842163,0.49411452265094924,0.5762199300938935,0.4095075731615379,0.5192927146871359
EOS-3-02834,N#Cc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,WBHTVLSFQOTSNZ-UHFFFAOYSA-N,3,1,0.404,63,306,414.404,2.075,5,0.53,0.85,1.0,0.15320231649647043,0.20582893564526078,0.1905455417723254,0.2566907682818176,0.20156689054896854
EOS-3-02835,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)n5)c4)n23)cc1Cl,LBQZEUCNCDDVPU-UHFFFAOYSA-N,3,1,0.336,74,246,448.849,3.191,5,0.423,0.81,1.0,0.05057055719279008,0.17925433486395723,0.5359896511548214,0.5369405798094716,0.3256887807552601
EOS-3-02836,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)n4)n23)cc1,IGDHWCITXSGMPB-UHFFFAOYSA-N,3,1,0.317,62,331,422.452,2.931,6,0.467,0.85,1.0,0.0642947707490919,0.05398019326982387,0.08381022548146118,0.1305856349804674,0.0831677061202111
EOS-3-02837,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnn5)c4)n23)cc1F,XMIYFHPAJLMEPF-UHFFFAOYSA-N,3,1,0.396,14,740,460.86,3.126,5,0.427,0.8,1.0,0.2982146528682064,0.29789767664998973,0.6659156329244055,0.6913765334795422,0.48835112398053593
EOS-3-02838,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)cn4)n23)cc1,ULYLWNDSEGUENN-UHFFFAOYSA-N,3,1,0.317,62,302,421.464,3.536,6,0.469,0.89,1.0,0.09193167020766226,0.06587965184017545,0.22537009115208004,0.2951905284079227,0.1695929854019601
EOS-3-02839,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cn(C)nn5)cc4)n23)cc1,VIHZJOFBDQICKP-UHFFFAOYSA-N,3,1,0.53,89,637,440.467,2.525,5,0.432,0.86,1.0,0.4360222054691248,0.20142553628949353,0.3237783565211432,0.1815759714892742,0.28570051744225894
EOS-3-02840,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)nn1,UNAMDDGZBLVENY-UHFFFAOYSA-N,3,1,0.276,52,776,449.478,2.906,6,0.434,0.79,0.999,0.08951579740936194,0.05031354944829004,0.06221300801864163,0.0772308272222603,0.06981829552463847
EOS-3-02841,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)cc(F)c5)nn4)n23)cc1,ONAQKTJJSWBINT-UHFFFAOYSA-N,3,1,0.34,74,997,458.432,3.209,6,0.434,0.83,1.0,0.07819888972654376,0.16256596532108833,0.37999451716811733,0.5035895414981838,0.2810872284284833
EOS-3-02842,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc(F)o5)cc4F)n23)cc1,KHICYSPTUHBUEA-UHFFFAOYSA-N,3,1,0.363,62,341,459.416,3.679,6,0.427,0.87,1.0,0.39580049345486945,0.3519635391679803,0.4090021245973545,0.46640908779384554,0.40579381125351244
EOS-3-02843,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnc(C)nn5)nc4)n23)cc1,ZFCGUEUDWGFSOU-UHFFFAOYSA-N,3,1,0.419,89,310,439.439,2.499,5,0.438,0.77,1.0,0.5715852237680762,0.2615482146528682,0.15830820368720444,0.07723939414707696,0.2671702590638064
EOS-3-02844,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(F)c(Cl)c3)n12,BIFAVXNYTIDERO-UHFFFAOYSA-N,3,1,0.417,0,646,451.889,4.075,5,0.478,0.8,1.0,0.49868069357823314,0.46733431567404565,0.6047392228085806,0.6535706942635872,0.5560812315811117
EOS-3-02845,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4F)n23)cc1F,GBALIRNDDVFSNV-UHFFFAOYSA-N,3,1,0.478,23,646,413.815,3.673,4,0.554,0.89,1.0,0.3936501953258858,0.4989205674730999,0.8952008087177027,0.8947124940031527,0.6706210163799603
EOS-3-02846,CC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cn1,DTTGXFOGAQNUDJ-UHFFFAOYSA-N,3,1,0.333,63,169,428.456,1.972,5,0.525,0.71,0.999,0.03569837571105476,0.010939962990884792,0.0037608799945171682,0.004154958536083888,0.013638544308135152
EOS-3-02847,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)cc4OC(F)F)n23)cc1C,CFZIVAFUNAWRMV-UHFFFAOYSA-N,3,1,0.412,0,999,427.386,3.867,4,0.523,0.79,0.997,0.7311184977040641,0.8124014803646084,0.9140223425399219,0.8458638886985128,0.8258515523267769
EOS-3-02848,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cc1,DGJGGCRWKIDSPW-UHFFFAOYSA-N,3,1,0.293,52,517,433.475,3.808,6,0.453,0.87,1.0,0.05057912411760675,0.010014735110684668,0.29088993214995545,0.3584658351038311,0.17748740662051948
EOS-3-02849,CCOc1cc(C#N)ncc1COc1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,KNDOBFLNLZMMDM-UHFFFAOYSA-N,3,1,0.529,89,536,429.44,2.395,4,0.474,0.8,1.0,0.5743866081831266,0.23107566307998081,0.4238914399287232,0.19245596600644232,0.3554524192995683
EOS-3-02850,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ccc4F)n23)cc1,AMVNTFQGAABAFP-UHFFFAOYSA-N,3,1,0.38,62,341,451.465,3.947,6,0.435,0.88,0.999,0.24165581522856555,0.26155678157768486,0.5258806798711535,0.5917003632376122,0.405198409978754
EOS-3-02851,O=C(c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)cc1F)N1CC(F)C1,WENQLMRGFOEBBS-UHFFFAOYSA-N,3,1,0.383,78,568,442.817,2.154,5,0.477,0.7,1.0,0.3058049482557741,0.39997258584058665,0.08622609827976149,0.24461140429031594,0.25915375916660954
EOS-3-02852,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(C(C)(F)F)n4)n23)cc1,NELWCQQRUPTVFL-UHFFFAOYSA-N,3,1,0.506,68,12,425.399,2.632,4,0.506,0.75,1.0,0.5243214995545199,0.38536597902816805,0.6434788568295524,0.34241141799739566,0.47389443835240896
EOS-3-02853,N#CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)cc1,YFIFHCGQESBZPM-UHFFFAOYSA-N,3,1,0.365,14,357,447.462,2.487,5,0.392,0.82,1.0,0.16404804331437187,0.08013501473511069,0.40200294702213696,0.2861695565759715,0.23308889041189773
EOS-3-02854,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c(F)c2)nn1,VABKXWPRRLCGBO-UHFFFAOYSA-N,3,1,0.357,96,204,426.415,2.857,5,0.468,0.78,0.997,0.18620211089027483,0.20583750257007744,0.372498457953533,0.3329535329997944,0.2743729011034199
EOS-3-02855,CCc1nc(-c2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)nc(C(F)F)n1,QNDKRJGZJPUPQE-UHFFFAOYSA-N,3,1,0.47,63,751,466.452,2.616,5,0.441,0.78,0.999,0.05550510588719074,0.011822356247001576,0.003144061407717086,0.004891714070317319,0.01884080940305668
EOS-3-02856,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(F)cn5)cn4)n23)cn1,QNXAUHHYEKJXSW-UHFFFAOYSA-N,3,1,0.388,82,412,443.402,2.329,5,0.434,0.79,1.0,0.6703447330546227,0.4673428825988623,0.1744996915907066,0.10159516140086354,0.35344561716126377
EOS-3-02857,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5ncc(F)cn5)cn4)n23)nc1,CTVZUWFHUUNLGI-UHFFFAOYSA-N,3,1,0.304,33,432,454.429,2.132,6,0.423,0.81,1.0,0.18347782879857447,0.15870228222877117,0.039459255705571926,0.06953772873689261,0.11279427386745254
EOS-3-02858,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)cn1,NLMADVAZYDBLLS-UHFFFAOYSA-N,3,1,0.478,68,127,456.388,2.466,5,0.47,0.76,1.0,0.4812555685011308,0.4408625179905421,0.40566959084367077,0.3142005345761086,0.41049705297786304
EOS-3-02859,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)c1,GCGUQIDBWGFRTK-UHFFFAOYSA-N,3,1,0.705,48,576,417.444,3.444,5,0.498,0.91,1.0,0.5421492700980056,0.3711705846069495,0.3610359125488315,0.43179871153450755,0.4265386196970735
EOS-3-02860,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4C)n23)nc1,YYLIRMDQUPKCSI-UHFFFAOYSA-N,3,1,0.303,33,523,440.471,2.102,5,0.44,0.76,1.0,0.0895243643341786,0.06588821876499212,0.04561030772393942,0.025332396682886713,0.05658882187649922
EOS-3-02861,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)nc1,DSKJLTXLVHWPFE-UHFFFAOYSA-N,3,1,0.318,33,274,427.403,2.204,5,0.463,0.76,0.998,0.18920910150092524,0.1832293879788911,0.2470701117126996,0.18417174970872455,0.20092008772531011
EOS-3-02862,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccnnc5)nc4)n23)cc1,VZGGVMFLQVCCAB-UHFFFAOYSA-N,3,1,0.396,14,357,422.452,2.594,5,0.463,0.79,1.0,0.2003632376122267,0.05032211637310671,0.34586388869851276,0.23012473442533068,0.2066684942772942
EOS-3-02863,O=C(NCCF)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnccn5)nc4)n23)cc1,FTLODCFAEIMZQF-UHFFFAOYSA-N,3,1,0.4,74,357,454.469,2.933,5,0.402,0.82,1.0,0.09439894455486258,0.05799808100884107,0.27636042766088686,0.19768179014460968,0.15660981084230005
EOS-3-02864,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(C)nn5)c4)n23)cc1F,CQIBDPSMBOPYOB-UHFFFAOYSA-N,3,1,0.366,61,648,440.442,3.117,5,0.457,0.76,1.0,0.22509594955794668,0.2207782194503461,0.3725070248783497,0.31420910150092524,0.28314757384689193
EOS-3-02865,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(C)c5)n4)n23)cc1,YGJSWBWVXYWIQU-UHFFFAOYSA-N,3,1,0.333,29,704,422.452,2.978,5,0.474,0.82,1.0,0.1892176684257419,0.058006647933657736,0.21170584606949489,0.13961517373723528,0.14963633404153245
EOS-3-02866,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(Cl)nc(C)c4F)n23)cc1,UXRPXKFAMVPXNH-UHFFFAOYSA-N,3,1,0.406,66,646,424.867,3.628,4,0.494,0.77,1.0,0.3083064903022411,0.30283222534439036,0.5122250017133849,0.435037009115208,0.3896001816188061
EOS-3-02867,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5csnn5)c4)n23)cc1,BMAHUZWAXLBPLX-UHFFFAOYSA-N,3,1,0.329,62,302,439.504,3.869,6,0.446,0.85,1.0,0.07401823041600987,0.04665547255157289,0.2010314577479268,0.2803097800013707,0.15050373517922006
EOS-3-02868,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccc(F)c5)cn4)n23)cc1,GERVRTUQBZTNPB-UHFFFAOYSA-N,3,1,0.456,62,417,440.438,4.144,5,0.441,0.86,1.0,0.8551504351997807,0.5079329723802344,0.7191590706599958,0.6131005414296484,0.6738357549174149
EOS-3-02869,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(Cl)c5)ncn4)n23)cc1,GDDMTTXSKSRXEB-UHFFFAOYSA-N,3,1,0.406,62,139,427.855,3.668,5,0.468,0.83,1.0,0.13377253101226783,0.21068638201631143,0.6047477897333973,0.6217360016448495,0.3927356761017065
EOS-3-02870,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)cc5F)nn4)n23)cc1,UYVAVMAJHTUZFY-UHFFFAOYSA-N,3,1,0.38,61,311,445.393,2.343,5,0.447,0.74,1.0,0.2759492152696868,0.3471403604961963,0.3164793365773422,0.3521348776643136,0.32292594750188475
EOS-3-02871,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CC6)nc5)n34)cc2)n1C,VHRVHLXGQVOFPY-UHFFFAOYSA-N,3,1,0.359,52,336,436.479,3.018,6,0.402,0.87,1.0,0.1418682749640189,0.03628949352340484,0.017382290453018985,0.033034062093071075,0.057143530258378455
EOS-3-02872,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cccnc5)nn4)n23)cc1,KGLXBLFPMMJURW-UHFFFAOYSA-N,3,1,0.429,85,357,423.44,1.989,5,0.455,0.79,1.0,0.11993694743334933,0.04666403947638956,0.10043862655061339,0.0677815091494757,0.083705280652457
EOS-3-02873,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccs5)nn4)n23)cc1,AVFZNSBMNVMPLX-UHFFFAOYSA-N,3,1,0.327,74,295,440.492,3.264,6,0.446,0.81,1.0,0.1312538551161675,0.08014358165992735,0.04718662189020629,0.08587485436227811,0.08611472825714481
EOS-3-02874,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)s1,ROGLGRXCWKVWEE-UHFFFAOYSA-N,3,1,0.337,52,582,454.519,3.572,6,0.432,0.85,1.0,0.08692001918991159,0.025161058186553356,0.06625659653210883,0.09159756013981221,0.0674838085120965
EOS-3-02875,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cccc(F)c4)n23)cc1,PGTMOEJFDVKOFH-UHFFFAOYSA-N,3,1,0.392,62,837,425.427,3.414,5,0.474,0.83,1.0,0.257453224590501,0.2562966897402508,0.48093859228291413,0.45058597765746006,0.3613186210677815
EOS-3-02876,CCn1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC)c(F)c5)n34)cc2)cn1,ACOMALLHNGWYOU-UHFFFAOYSA-N,3,1,0.4,14,319,455.497,3.764,5,0.421,0.88,1.0,0.2602974436296347,0.2667654718662189,0.5461842916866562,0.43180727845932426,0.3762636214104585
EOS-3-02877,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cc1C,AEBYKMGVBBNWNH-UHFFFAOYSA-N,3,1,0.34,74,423,440.442,3.117,5,0.457,0.78,1.0,0.2003718045370434,0.17509937632787334,0.28371084915358785,0.21281097937084503,0.21799825234733738
EOS-3-02878,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnc5)n4)n23)cc1,MNBWESLAXGDDOI-UHFFFAOYSA-N,3,1,0.495,89,731,438.451,2.582,5,0.43,0.81,1.0,0.49868926050304985,0.2413816736344322,0.22198615584949627,0.11973990816256597,0.270449249537386
EOS-3-02879,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCc5cccc(F)c5)cn4)n23)cc1,OAOITTWUBPSPOR-UHFFFAOYSA-N,3,1,0.495,62,504,467.464,3.021,5,0.395,0.89,1.0,0.4335463641971078,0.33703995613734494,0.5223768076211364,0.40603796861078745,0.42475027414159416
EOS-3-02880,CCn1nc(C)cc1-c1ncnc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)n1,LWARIVZSFFDOKU-UHFFFAOYSA-N,3,1,0.324,29,849,440.471,2.195,5,0.44,0.8,0.995,0.08253375368377767,0.03920224796107189,0.01912137619080255,0.006682201357000891,0.03688489479816325
EOS-3-02881,Cc1nc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cc(-c2cccnc2F)n1,NRBOWKNRLGYSFZ-UHFFFAOYSA-N,3,1,0.404,14,357,440.442,2.781,5,0.417,0.82,1.0,0.21675176478651223,0.15871084915358782,0.3017613597423069,0.2329689534644644,0.22754823178671785
EOS-3-02882,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cc1,DXMNDSJDQZAWJF-UHFFFAOYSA-N,3,1,0.312,25,791,432.451,3.106,6,0.418,0.85,1.0,0.07014598039887603,0.06177609485299157,0.14915016105818654,0.22710060996504694,0.1270432115687753
EOS-3-02883,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(Cl)c(F)c5)n4)n23)cc1,BHUIUSXONOCUBB-UHFFFAOYSA-N,3,1,0.376,61,681,448.849,3.191,5,0.453,0.77,0.997,0.08458981563977795,0.2771143170447536,0.5292988828730039,0.5304725515728874,0.3553688917826057
EOS-3-02884,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(F)cc(Cl)c4Cl)n23)nc1,FOBPGXXQIQZHGF-UHFFFAOYSA-N,3,1,0.396,63,505,457.296,4.115,5,0.456,0.81,0.844,0.19739908162565967,0.29289459255705574,0.5594030566787745,0.7557055719279008,0.4513505756973477
EOS-3-02885,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(CN5CCC(F)(F)C5)nc4)n23)cc1,RTTJHWBUQUUMKX-UHFFFAOYSA-N,3,1,0.39,66,334,463.492,2.978,5,0.473,0.74,1.0,0.17198101569460628,0.08365602083476116,0.21171441299431157,0.2743214995545199,0.18541823726954973
EOS-3-02886,CCOC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(O)C5)cn4)n23)cn1,QCUSAYTZQHBTNT-UHFFFAOYSA-N,3,1,0.333,63,175,445.439,1.242,5,0.45,0.81,0.97,0.19196765129189225,0.11241518744431499,0.013921252827085189,0.009397916523884586,0.08192550202179426
EOS-3-02887,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)cc4Cl)n23)cn1,FXFKSSDSIMWSJJ-UHFFFAOYSA-N,3,1,0.427,68,688,430.802,3.468,4,0.521,0.74,0.998,0.8596652045781646,0.8452470701117127,0.8260057569734768,0.7920893016242889,0.8307518333219107
EOS-3-02888,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1,RNENVCWHYFACIF-UHFFFAOYSA-N,3,1,0.628,63,536,418.432,2.839,5,0.464,0.9,1.0,0.5973373997669796,0.26677403879103556,0.279838599136454,0.30475978342814064,0.3621774552806524
EOS-3-02889,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nncn5C)nc4)n23)c(F)c1,HCMVZOBNSLFJBU-UHFFFAOYSA-N,3,1,0.39,85,740,443.446,2.071,5,0.442,0.76,1.0,0.15061510520183674,0.22078678637516277,0.20447536152422727,0.1491929956822699,0.1812675621958742
EOS-3-02890,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnnc(-c5ccccn5)c4)n23)cc1,QRUTWTRUVLYMLQ-UHFFFAOYSA-N,3,1,0.375,52,916,448.49,3.126,6,0.425,0.79,1.0,0.10678671783976423,0.03629806044822151,0.12517990542115,0.1597817147556713,0.10701159961620177
EOS-3-02891,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cn1,FCZHFSPTJDRUIX-UHFFFAOYSA-N,3,1,0.483,90,555,456.84,3.589,5,0.446,0.82,1.0,0.7188506613665958,0.5722277431293263,0.5494996915907066,0.6623517922006716,0.6257324720718251
EOS-3-02892,CC(c1ccc(F)cc1)c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3F)n12,PKQIGBBXQGAVQI-UHFFFAOYSA-N,3,1,0.429,0,646,419.435,4.114,5,0.528,0.87,1.0,0.27890480433143716,0.3760794325269001,0.7703978479884861,0.7988828730039065,0.5560662394626824
EOS-3-02893,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)nc4)n23)cc1,DYOMLLLTLXUHPQ-UHFFFAOYSA-N,3,1,0.529,89,512,442.443,1.315,5,0.412,0.85,1.0,0.42932287026249055,0.14326468370913578,0.06019121376190802,0.026163388390103487,0.16473553903090946
EOS-3-02894,Cc1cnc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cn1,GYLVLXHQKVKJEH-UHFFFAOYSA-N,3,1,0.538,63,536,433.447,2.543,5,0.477,0.75,1.0,0.4108954149818381,0.23108423000479747,0.10044719347543006,0.12206154478788295,0.21612209581248715
EOS-3-02895,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)c(F)c1,QYSQESZYKJXFAG-UHFFFAOYSA-N,3,1,0.473,68,12,447.352,2.678,4,0.469,0.75,1.0,0.6731546843944898,0.6592934000411212,0.8810139812213008,0.6797512165033239,0.723303320540059
EOS-3-02896,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccn5)c4)n23)cn1,LAEXMCXKNDOJEZ-UHFFFAOYSA-N,3,1,0.327,62,204,433.475,3.808,6,0.453,0.82,1.0,0.1283239668288671,0.03921081488588856,0.1776437529984237,0.2657288739634021,0.1527268521691454
EOS-3-02897,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnccc5C#N)cn4)n23)cc1,QBCPNPVXBWQNKM-UHFFFAOYSA-N,3,1,0.388,14,357,446.474,3.07,5,0.44,0.78,1.0,0.2548146117469673,0.11535364265643205,0.5625728188609417,0.44117092728394214,0.3434780001370708
EOS-3-02898,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cncc(F)c5)nn4)n23)cn1,ZIGPCIRXCRSMJV-UHFFFAOYSA-N,3,1,0.309,50,974,442.418,1.86,6,0.437,0.79,0.999,0.04314303337673909,0.13596566376533478,0.04884003837982318,0.10160372832568021,0.08238811596189431
EOS-3-02899,Cc1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)o1,NTLSVHBYUNFOFH-UHFFFAOYSA-N,3,1,0.356,52,295,456.441,3.243,6,0.427,0.84,1.0,0.2029504489068604,0.18323795490370776,0.10568158453841409,0.1441642108148859,0.15900854979096704
EOS-3-02900,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C)c5)ccc4F)n23)cc1,CGHDGOKINTWTAW-UHFFFAOYSA-N,3,1,0.374,61,124,441.47,3.748,5,0.449,0.83,1.0,0.20570043177301076,0.2464104585018162,0.6135031868960318,0.4906449181001988,0.38906474881776437
EOS-3-02901,Cc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)nn1,ODMBVBVXSGTZJO-UHFFFAOYSA-N,3,1,0.327,52,423,448.49,3.511,6,0.438,0.81,1.0,0.10919402371324789,0.0332396682886711,0.11095024330066479,0.13286443698170106,0.09656209307107122
EOS-3-02902,Cc1nccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,HBXJLWKVLYMHPA-UHFFFAOYSA-N,3,1,0.314,52,582,448.49,3.511,6,0.438,0.81,1.0,0.12535124391748337,0.03010417380577068,0.1226612295250497,0.13727640326228496,0.10384826262764718
EOS-3-02903,COc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)n2)cc1F,BTMCWGCKNQDSEQ-UHFFFAOYSA-N,3,1,0.352,29,704,460.404,2.696,5,0.423,0.82,1.0,0.49129600438626553,0.44530018504557606,0.5158316770612021,0.42858611472825714,0.47025349530532523
EOS-3-02904,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccnc5OC)c4)n23)cc1,MOZAVXDAGUQQOW-UHFFFAOYSA-N,3,1,0.327,62,139,437.463,3.284,5,0.45,0.82,1.0,0.2844561716126379,0.10596429305736413,0.43488280446850797,0.2594150503735179,0.271179579878007
EOS-3-02905,CCn1cncc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)cc1,CNDNTMVHPOLKSC-UHFFFAOYSA-N,3,1,0.478,62,637,439.479,3.827,5,0.432,0.88,1.0,0.5916232609142622,0.2719398944554863,0.43089918442875746,0.26260194640531836,0.3892660715509561
EOS-3-02906,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(C#N)n5)cc4)n23)cc1,PUSCVXAPUOCCID-UHFFFAOYSA-N,3,1,0.368,62,3,432.447,3.147,5,0.463,0.78,1.0,0.2497601261051333,0.12193304091563292,0.552917894592557,0.44117949420875885,0.3414476389555205
EOS-3-02907,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncc(F)c5)cn4)n23)cn1,HAIRXLAMOYJIIP-UHFFFAOYSA-N,3,1,0.398,82,290,440.442,2.733,5,0.447,0.75,1.0,0.24976869302994997,0.23588170790213145,0.3420430402302789,0.2921492700980056,0.2799606778150915
EOS-3-02908,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ncccn5)c4)n23)cc1,OUTLBIQZZVIQPO-UHFFFAOYSA-N,3,1,0.553,89,230,455.453,3.326,5,0.418,0.83,1.0,0.7668340072647523,0.4368017956274416,0.5729473648139264,0.4285946816530738,0.5512944623397985
EOS-3-02909,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)n(C)n1,ISYJXBAMHIIQQC-UHFFFAOYSA-N,3,1,0.363,52,269,468.496,3.594,6,0.423,0.9,1.0,0.20295901583167705,0.18324652182852444,0.16785175793297238,0.2156980330340621,0.192438832156809
EOS-3-02910,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cnccn5)nc4)n23)cc1,NZCHJVOWFGRYHQ-UHFFFAOYSA-N,3,1,0.407,74,357,436.479,2.788,5,0.436,0.81,1.0,0.2167603317113289,0.050330683297923375,0.22199472277431292,0.13962374066205194,0.1571773696114043
EOS-3-02911,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)cn1)N1CCOCC1,OEABIXDKYAKSNX-UHFFFAOYSA-N,3,1,0.411,82,229,465.477,2.178,6,0.393,0.87,0.999,0.02274518538825303,0.0015163456925502022,0.006510862860667535,0.017305188129668973,0.012019395517784935
EOS-3-02912,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,YKGRQYKAHWQCEV-UHFFFAOYSA-N,3,1,0.333,62,302,435.491,3.751,6,0.454,0.82,1.0,0.1806678774587074,0.02287368926050305,0.24707867863751629,0.2774227263381537,0.1820107429237201
EOS-3-02913,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cncc(F)c5)n4)n23)cc1,PAJRHWSMHQEFGT-UHFFFAOYSA-N,3,1,0.349,29,849,427.403,2.204,5,0.463,0.75,1.0,0.2955503392502227,0.187615653485025,0.21831951202796243,0.1732232197930231,0.21867718113905832
EOS-3-02914,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)n5)nc4)n23)cc1,QZVFZQDBEUHTOZ-UHFFFAOYSA-N,3,1,0.378,62,139,425.427,3.414,5,0.443,0.85,1.0,0.22800013707079705,0.21069494894112809,0.5563189637447742,0.45697690357069426,0.3629977383318484
EOS-3-02915,Cn1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)n2)n1,UFUPYAAXGUJMKT-UHFFFAOYSA-N,3,1,0.315,52,423,437.467,2.541,6,0.449,0.74,0.986,0.05379172092385717,0.042945994105955725,0.034122061544787884,0.04460797752038928,0.04386693852374752
EOS-3-02916,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)cc1F,ABVBEKXXGGVBAM-UHFFFAOYSA-N,3,1,0.315,74,768,442.458,3.143,5,0.449,0.78,1.0,0.16945377287368926,0.20584606949489412,0.42734391062984034,0.32320437255842643,0.28146203138921255
EOS-3-02917,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C)c5)cc(F)n4)n23)cc1,JVVWPFMHUNXLLB-UHFFFAOYSA-N,3,1,0.373,74,333,428.431,2.753,5,0.442,0.79,1.0,0.13126242204098418,0.16645534918785554,0.48433966143513124,0.3488623123843465,0.2827299362620793
EOS-3-02918,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(C)nn5)cc4)n23)cc1,AFMHIEMCMZRGIK-UHFFFAOYSA-N,3,1,0.529,62,637,451.49,3.495,5,0.421,0.85,1.0,0.55003084092934,0.24139024055924885,0.4531132204783771,0.27743129326297034,0.38049139880748406
EOS-3-02919,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(Cl)nc3)n12,DMXXOQKTGMIBGF-UHFFFAOYSA-N,3,1,0.375,63,437,420.86,3.408,5,0.497,0.9,0.995,0.40407614282777055,0.3615413611130149,0.3127013227331917,0.36206394352683163,0.3600956925502022
EOS-3-02920,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1,OSXYMVMHWYZMRK-UHFFFAOYSA-N,3,1,0.376,61,681,432.394,2.677,5,0.468,0.75,0.997,0.07607429237201015,0.1876242204098417,0.5293074497978206,0.48477657460078133,0.31944563429511347
EOS-3-02921,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)cc1F,DRGGZFPMWUANAR-UHFFFAOYSA-N,3,1,0.484,89,788,456.441,2.721,5,0.414,0.82,1.0,0.619868412034816,0.37608799945171684,0.43873792063600847,0.32016311424850935,0.43871436159276267
EOS-3-02922,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4OC)n23)cc1C,GVOSWDJPUKEDTQ-UHFFFAOYSA-N,3,1,0.333,61,917,455.482,2.325,5,0.428,0.84,1.0,0.27345624014803643,0.08366458775957782,0.14593756425193613,0.06442327462134192,0.14187041669522307
EOS-3-02923,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5)ccn4)n23)cc1,DEQPCWFCBHFOSG-UHFFFAOYSA-N,3,1,0.333,52,582,433.475,3.808,6,0.453,0.85,1.0,0.11476252484408196,0.03324823521348776,0.2944966074977726,0.355116167500514,0.1994058837639641
EOS-3-02924,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)cc1,ZSUFXOSPSNUQPD-UHFFFAOYSA-N,3,1,0.343,52,517,433.475,3.808,6,0.453,0.85,1.0,0.08254232060859434,0.03011274073058735,0.3054280035638407,0.3584744020286478,0.19413936673291754
EOS-3-02925,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cscn5)cc4)n23)cc1,POQLGFCSAUZBIO-UHFFFAOYSA-N,3,1,0.382,62,319,452.543,4.398,6,0.413,0.93,1.0,0.16405661023918855,0.089978411349462,0.2945051744225893,0.3393016242889452,0.22196045507504625
EOS-3-02926,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4C)n23)c(C)c1,OAPFRCJEYDFRKD-UHFFFAOYSA-N,3,1,0.33,62,366,434.503,4.497,5,0.45,0.92,0.999,0.17470529778630664,0.06178466177780824,0.47725481461174696,0.3584829689534645,0.2680569357823316
EOS-3-02927,CCc1cc(-c2noc(-c3cncc4nnc(-c5ccc(C(=O)NC)cc5)n34)n2)cnc1F,UWIYVHYNKGKPHN-UHFFFAOYSA-N,3,1,0.352,74,333,444.43,2.964,5,0.41,0.86,1.0,0.27595778219450345,0.2615653485025015,0.20104002467274348,0.1328730039065177,0.21785903981906654
EOS-3-02928,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)nc4)n23)cc1,WLNVEFRAMKOOED-UHFFFAOYSA-N,3,1,0.353,52,582,451.465,3.947,6,0.435,0.87,1.0,0.24977725995476663,0.1964310191213762,0.4387464875608252,0.5035981084230005,0.34713821876499207
EOS-3-02929,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ncnc(-c5ccccn5)c4F)n23)cc1,FBINYQUIKFKWSO-UHFFFAOYSA-N,3,1,0.378,52,916,466.48,3.265,6,0.409,0.84,1.0,0.21391611267219518,0.19643958604619285,0.1279298882873004,0.18968028236584195,0.18199146734288257
EOS-3-02930,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4nc(-c5cncnc5)ccc4F)n23)cc1,BYJCMNHAOBEQFC-UHFFFAOYSA-N,3,1,0.398,52,916,466.48,3.265,6,0.409,0.84,1.0,0.15862517990542116,0.18763278733465835,0.2362158179699815,0.2892279487355219,0.2179254334863957
EOS-3-02931,CCCc1nc(C)c(C)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,SZKVNHCLMVUOBU-UHFFFAOYSA-N,3,1,0.276,63,108,428.5,3.105,5,0.502,0.77,1.0,0.07015454732369268,0.042954561030772394,0.0033325337536837777,0.002244534301966966,0.02967154410252896
EOS-3-02932,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(F)cnn5)cc4)n23)cc1,SEEKUMKCEGKUKS-UHFFFAOYSA-N,3,1,0.436,62,319,439.454,3.338,5,0.451,0.74,1.0,0.3337245562332945,0.27194846138030293,0.5917945994105955,0.5000085669248167,0.4243690459872524
EOS-3-02933,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(Cl)cc5F)n4)n23)cc1,HLZQCUQXWVIHOX-UHFFFAOYSA-N,3,1,0.404,96,140,445.845,3.807,5,0.45,0.8,1.0,0.2710489342745528,0.32765060653827704,0.6166986498526489,0.6303457610856007,0.46143598793776985
EOS-3-02934,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5)nn4)n23)cc1,ABKIKRJUTODGBX-UHFFFAOYSA-N,3,1,0.379,62,302,451.465,3.947,6,0.435,0.86,1.0,0.18348639572339112,0.24641902542663285,0.3875505448564183,0.49362620793639916,0.32777054348571033
EOS-3-02935,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnccn5)c4)n23)nc1,BEQZPZNULZWVOH-UHFFFAOYSA-N,3,1,0.396,85,647,440.442,2.733,5,0.447,0.73,1.0,0.18922623535055857,0.162574532245905,0.4162583099170722,0.34560688095401276,0.27841648961688714
EOS-3-02936,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ccc4F)n23)cn1,JJELXSBZPSVCEZ-UHFFFAOYSA-N,3,1,0.333,82,204,452.453,3.342,6,0.435,0.83,0.995,0.23330306353231445,0.2667826057158522,0.2982831882667398,0.3967685559591529,0.29878435336851483
EOS-3-02937,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(C(F)(F)F)c4)n23)cn1,YFVGXNHBSLGNTL-UHFFFAOYSA-N,3,1,0.477,68,127,430.35,1.934,4,0.51,0.72,1.0,0.6282982660544171,0.5261034199163868,0.6607069426358714,0.387482009457885,0.55064765951614
EOS-3-02938,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cc1,LDVGEVOOERPWNW-UHFFFAOYSA-N,3,1,0.379,61,269,425.456,2.351,5,0.435,0.83,1.0,0.09678054965389624,0.03630662737303817,0.08381879240627785,0.04740936193543965,0.06607883284216298
EOS-3-02939,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5nccn5C)c4)n23)cc1Cl,FBRZDCNJSYZFDZ-UHFFFAOYSA-N,3,1,0.33,82,859,444.886,3.267,5,0.456,0.78,1.0,0.23608731409773148,0.21070351586594477,0.427352477554657,0.3874905763827017,0.3154084709752587
EOS-3-02940,O=C(c1ccc(-c2nnc3cncc(Cc4cc(Cl)cnc4F)n23)cc1F)N1CCOCC1,DUSFGXHVJYXUMZ-UHFFFAOYSA-N,3,1,0.453,78,751,470.867,3.181,5,0.426,0.87,0.999,0.11994551435816599,0.187641354259475,0.11968850661366597,0.35849153587828114,0.19644172777739705
EOS-3-02941,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cnn(C)c5)ncn4)n23)cc1F,WEIOSJLUCYCYJT-UHFFFAOYSA-N,3,1,0.371,85,413,443.446,2.071,5,0.442,0.77,1.0,0.1806764443835241,0.19189054896854224,0.29451374134740593,0.19769035706942636,0.21619277294222466
EOS-3-02942,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c1,AIMXLCKGFVZJMT-UHFFFAOYSA-N,3,1,0.364,61,917,449.837,2.54,5,0.446,0.77,1.0,0.28730039065177165,0.3853745459529847,0.39483243095058596,0.4785141525597971,0.3865053800287849
EOS-3-02943,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cc1,XIHYWHQXJCFPFY-UHFFFAOYSA-N,3,1,0.561,23,378,455.852,4.194,5,0.441,0.85,1.0,0.8368086491672949,0.6593019669659379,0.7704064149133028,0.8261342608457268,0.7731628229730656
EOS-3-02944,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)cc1,NQMAKVXFIXTHFP-UHFFFAOYSA-N,3,1,0.506,68,12,461.379,2.878,4,0.422,0.8,1.0,0.47404221780549655,0.40921629771777124,0.7749554519909533,0.5304811184977041,0.5471737715029813
EOS-3-02945,O=C(c1ccc(-c2cncc3nnc(-c4ccc(F)cn4)n23)cc1)N1CCn2cccc2C1,IVVZBBOJLRHCOY-UHFFFAOYSA-N,3,1,0.304,52,523,439.454,3.45,6,0.43,0.83,1.0,0.1067952847645809,0.08998697827427866,0.11370022616681516,0.24461997121513263,0.13877561510520184
EOS-3-02946,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5F)nc4)n23)cc1,QAFQWWFJAFXUHB-UHFFFAOYSA-N,3,1,0.389,62,3,442.429,4.158,5,0.452,0.83,1.0,0.30831505722705776,0.3322339113151943,0.8317198958261942,0.7874117606743883,0.5649201562607087
EOS-3-02947,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cc1F,JRLBVQIBNWRDQH-UHFFFAOYSA-N,3,1,0.36,96,680,429.39,3.292,5,0.439,0.83,1.0,0.22510451648276333,0.2563052566650675,0.7564423274621342,0.7350764169693647,0.4932321293948324
EOS-3-02948,CCc1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,GDFMFNMNXHVOHY-UHFFFAOYSA-N,3,1,0.408,63,108,415.457,2.615,5,0.494,0.91,1.0,0.23609588102254814,0.09313960660681242,0.05822082105407443,0.05007367555342334,0.10938249605921459
EOS-3-02949,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nncs5)cc4)n23)cc1,UWMQTAOSOWXTGQ-UHFFFAOYSA-N,3,1,0.413,62,319,427.493,3.26,5,0.462,0.77,1.0,0.2333116304571311,0.10273456240148036,0.30895757658830786,0.2212065656911795,0.2165525837845247
EOS-3-02950,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4c(OC)cnc(C)c4F)n23)cc1,JAICUKGRVAICDR-UHFFFAOYSA-N,3,1,0.511,63,536,436.447,2.971,4,0.475,0.74,1.0,0.560216914536358,0.3760965663765335,0.3573264341032143,0.15183160852580357,0.36136788088547733
EOS-3-02951,CCc1nc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,LVIHNAPIXAYJKO-UHFFFAOYSA-N,3,1,0.565,63,536,446.486,3.402,5,0.446,0.81,1.0,0.603154341717497,0.2514135425947502,0.13699369474333492,0.15184017545062026,0.28585043862655063
EOS-3-02952,Cn1nncc1-c1cncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c1,PVUFJWRYDAJKQE-UHFFFAOYSA-N,3,1,0.303,74,738,455.457,2.68,6,0.433,0.79,1.0,0.13127098896580083,0.16258309917072167,0.197519018573093,0.26573744088821877,0.18927763689945856
EOS-3-02953,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)cn4)n23)cn1,LGRXHWHWPIGRCK-UHFFFAOYSA-N,3,1,0.317,82,95,452.453,3.342,6,0.435,0.82,1.0,0.15590946473853745,0.16259166609553835,0.17450825851552326,0.29519909533273936,0.19705212117058463
EOS-3-02954,O=C(c1ccc(-c2cncc3nnc(-c4ccc(F)cc4F)n23)cn1)N1CCC(F)C1,BKAILYMBLFEODW-UHFFFAOYSA-N,3,1,0.394,0,169,424.386,3.316,5,0.504,0.79,1.0,0.1418768418888356,0.2719570283051196,0.20448392844904392,0.48755225824138165,0.27646751422109517
EOS-3-02955,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ncc(F)cn5)c4)n23)c(F)c1,GSUODIOJYDJXDX-UHFFFAOYSA-N,3,1,0.346,74,450,459.42,2.604,6,0.43,0.83,0.998,0.059068946610924544,0.1587194160784045,0.18723870879309162,0.277439860187787,0.17061673291755192
EOS-3-02956,Cc1ccc(-c2ncoc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,ULIWIPYMXOUNOP-UHFFFAOYSA-N,3,1,0.365,52,582,437.463,3.709,6,0.446,0.84,1.0,0.14188540881365225,0.08015214858474402,0.14915872798300323,0.16505894044273867,0.13406380645603455
EOS-3-02957,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncnn5)c4)n23)cn1,QTDBEDDVBWDSNW-UHFFFAOYSA-N,3,1,0.35,85,60,424.428,1.384,5,0.443,0.82,1.0,0.1337810979370845,0.046672606401206226,0.07683674868069358,0.04603008703995614,0.07583013501473511
EOS-3-02958,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1)N1CCCC1,WCHCZSGPDBBTDR-UHFFFAOYSA-N,3,1,0.359,52,821,448.49,3.546,6,0.414,0.86,0.994,0.034430470838187927,0.007838736207251045,0.0075217599890343365,0.03843122472757179,0.022055547940511275
EOS-3-02959,CC(=O)Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n(C)n1,VYLFABQYEHQKTG-UHFFFAOYSA-N,3,1,0.452,63,536,445.483,2.127,5,0.442,0.86,0.997,0.3236327187992598,0.1256425193612501,0.025872112946336782,0.015489000068535399,0.12265908779384552
EOS-3-02960,Cc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc(-c2cccnc2)n1,VMJOGPCFVLMDDB-UHFFFAOYSA-N,3,1,0.321,52,582,448.49,3.511,6,0.438,0.82,1.0,0.11477109176889863,0.022882256185319718,0.10839729970529778,0.12850387225001714,0.09363862997738331
EOS-3-02961,Cc1c(Cl)ccnc1-c1ncnc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,NCXJNLQSCJDMDU-UHFFFAOYSA-N,3,1,0.402,29,849,443.858,2.766,5,0.447,0.76,0.999,0.16946233979850592,0.19189911589335892,0.14916729490781988,0.16238605989993832,0.16822870262490575
EOS-3-02962,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cnc(-c5cnn(C)c5)cn4)n23)c(F)c1,RROVEMJBECVVLT-UHFFFAOYSA-N,3,1,0.39,92,399,445.418,2.273,5,0.437,0.81,1.0,0.4615002398738949,0.37117915153176617,0.320248783496676,0.18675039407854158,0.33491964224521964
EOS-3-02963,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cc(C)ncn5)cc4F)n23)cc1,CQKWMAPBQYLTQS-UHFFFAOYSA-N,3,1,0.343,74,139,440.442,3.117,5,0.457,0.78,1.0,0.19740764855047632,0.22610684668631348,0.4198649852648893,0.3047683503529573,0.2870369577136591
EOS-3-02964,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cn(C)c(C)n5)ccc4F)n23)cc1,CKRLTFGVXSTNRG-UHFFFAOYSA-N,3,1,0.37,62,124,441.47,3.666,5,0.46,0.81,1.0,0.2759663491193201,0.2771228839695703,0.5529264615173737,0.4095161400863546,0.3788829586731547
EOS-3-02965,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cc1)N1CCCC1,KHDNQKBISFNYGX-UHFFFAOYSA-N,3,1,0.348,52,800,448.49,3.546,6,0.414,0.85,1.0,0.07016311424850935,0.00852409019258447,0.006767870605167569,0.03192036186690426,0.029343859228291413
EOS-3-02966,N#Cc1cc(F)cc(-c2nc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)no2)c1,YUQDCWSVWUIZIP-UHFFFAOYSA-N,3,1,0.402,62,837,426.371,2.618,5,0.461,0.81,1.0,0.24705297786306626,0.25142210951956684,0.4911417997395655,0.4693989445548626,0.3647539579192653
EOS-3-02967,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)c5)cn4)n23)cn1,BAAWCIWKFBDCIV-UHFFFAOYSA-N,3,1,0.467,97,969,442.414,2.46,5,0.424,0.82,1.0,0.5945617161263793,0.38538311287780136,0.2908984990747721,0.2685987937769858,0.38486053046398466
EOS-3-02968,Cc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-n4ccnc4)cc3F)n12,DFZAAKKEIAPRLE-UHFFFAOYSA-N,3,1,0.295,52,336,454.469,3.379,6,0.437,0.82,1.0,0.16134089507230484,0.13976081145911864,0.19408368172160922,0.262610513330135,0.18944897539579192
EOS-3-02969,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cc(F)ccc5Cl)cn4)n23)cc1,BCLILTBENBYOSP-UHFFFAOYSA-N,3,1,0.429,96,46,445.845,3.807,5,0.45,0.82,1.0,0.2657802755123021,0.3130182989514084,0.7112603659790282,0.7430179562744157,0.5082692241792885
EOS-3-02970,COCCNC(=O)c1ccc(Cc2cncc3nnc(-c4ccc(Cl)c(CF)c4)n23)cn1,GXIJWZCGLXJLAA-UHFFFAOYSA-N,3,1,0.393,66,9,454.893,3.276,4,0.411,0.86,0.99,0.3058135151805908,0.3130268658762251,0.41235179220067164,0.38121102049208416,0.35310079843739295
EOS-3-02971,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(C)nn5)n4)n23)cc1,VQQCODNNRJLMKO-UHFFFAOYSA-N,3,1,0.351,62,423,422.452,2.978,5,0.474,0.81,1.0,0.14189397573846893,0.04296312795558906,0.21481563977794532,0.13484339661435132,0.13362903502158865
EOS-3-02972,CCCOc1ncccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)n12,TUEDTLVMLUGHKK-UHFFFAOYSA-N,3,1,0.353,0,688,448.914,4.188,5,0.455,0.87,1.0,0.352306216160647,0.31827839078884246,0.16471626345007195,0.2358645740524981,0.2677913611130149
EOS-3-02973,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccnc(F)c5)c4)n23)cc1,SLFQQEWIAOWXPA-UHFFFAOYSA-N,3,1,0.39,14,319,425.427,3.077,5,0.433,0.84,1.0,0.2955589061750394,0.15494996915907067,0.6047563566582139,0.520269344116236,0.39388364402714
EOS-3-02974,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)s4)n23)cc1,BXNNHSIFUBCWMY-UHFFFAOYSA-N,3,1,0.363,52,916,453.531,3.793,6,0.42,0.86,1.0,0.11178123500788158,0.05398876019464053,0.16786032485778904,0.20376430676444385,0.13434865670618873
EOS-3-02975,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cc4)n23)cc1,QQYHYKNBQMBBQX-UHFFFAOYSA-N,3,1,0.409,62,319,421.464,3.199,5,0.468,0.81,1.0,0.26030601055445135,0.08999554519909533,0.45312178740319375,0.34887087930916316,0.2880735556164759
EOS-3-02976,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ccn2)cn1,ABZLGXPUFSUYSL-UHFFFAOYSA-N,3,1,0.298,33,432,449.478,2.906,6,0.434,0.8,1.0,0.07608285929682682,0.030121307655404016,0.06821842231512576,0.08245665136042767,0.06421981015694607
EOS-3-02977,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,YKGCGZSGXXSWPE-UHFFFAOYSA-N,3,1,0.366,62,341,453.481,3.89,6,0.436,0.86,1.0,0.2574617915153177,0.20143410321431018,0.39108868480570214,0.4350455760400247,0.3212575388938387
EOS-3-02978,CCc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC)cc5)n34)cn2)c1,ZTLLBBSYJIYIQA-UHFFFAOYSA-N,3,1,0.388,62,246,441.47,3.705,5,0.449,0.81,1.0,0.04905421150023987,0.14327325063395244,0.6167072167774655,0.4816068124186142,0.322660372832568
EOS-3-02979,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(Cl)ccc5F)n4)n23)cc1,UTPDQOYFHICUDJ-UHFFFAOYSA-N,3,1,0.35,61,331,448.849,3.191,5,0.453,0.8,1.0,0.12833253375368378,0.30795524638475774,0.4879977383318484,0.5068706737029676,0.35778904804331435
EOS-3-02980,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)c4)n23)nc1,MQDOHZZYUJCRFO-UHFFFAOYSA-N,3,1,0.451,46,348,442.414,2.46,5,0.424,0.78,1.0,0.6642279487355219,0.30284079226920707,0.3312144472620108,0.2594236172983346,0.3894267013912686
EOS-3-02981,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nccc(-c5ccsc5)n4)n23)cn1,ADTAZGHBYSLMQP-UHFFFAOYSA-N,3,1,0.311,82,514,440.492,3.264,6,0.446,0.8,1.0,0.08953293125899527,0.06179322870262491,0.0327342197244877,0.0597714344458913,0.0609579535329998
EOS-3-02982,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cnn4)n23)cc1,VPKOPNJMCDXHTR-UHFFFAOYSA-N,3,1,0.311,74,295,435.451,2.598,6,0.447,0.78,0.999,0.10920259063806456,0.02064628880816942,0.14293057364128572,0.18675896100335823,0.11488460352271948
EOS-3-02983,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cn4)n23)nc1)N1CCC1,DTIQNHSVEBULFP-UHFFFAOYSA-N,3,1,0.309,52,821,440.492,3.218,6,0.423,0.82,0.982,0.03868823247207182,0.04668117332602289,0.005123021040367349,0.01834178603248578,0.02720855321773696
EOS-3-02984,Cc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)n1,YADLCJRQCPPJNC-UHFFFAOYSA-N,3,1,0.314,52,582,448.49,3.511,6,0.438,0.81,1.0,0.1366338839010349,0.03921938181070523,0.1522513878418203,0.15711740113768763,0.12130551367281202
EOS-3-02985,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncn5)nc4)n23)cc1)N1CCCC1,FNFMKINQVJEPSG-UHFFFAOYSA-N,3,1,0.347,52,376,448.49,3.546,6,0.414,0.84,1.0,0.08692858611472826,0.01094852991570146,0.010057569734768007,0.04461654444520595,0.03813780755260092
EOS-3-02986,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(Cl)c2)n1C,CZNRVJGMPXZTOZ-UHFFFAOYSA-N,3,1,0.424,61,269,444.886,3.315,5,0.454,0.8,1.0,0.15863374683023782,0.19190768281817558,0.287394626824755,0.295207662257556,0.2332859296826811
EOS-3-02987,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)c(CO)n4)n23)cc1F,VDPJMYROYITKCH-UHFFFAOYSA-N,3,1,0.362,63,306,453.865,2.349,5,0.46,0.78,1.0,0.2927403879103557,0.2929031594818724,0.14010348845178536,0.27433006647933655,0.2500192755808375
EOS-3-02988,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cncc(Cl)c3)n12,SZCCOKQDARGQON-UHFFFAOYSA-N,3,1,0.356,63,437,420.86,3.408,5,0.531,0.85,0.996,0.38470632581728464,0.31303543280104174,0.3054365704886574,0.3716417654718662,0.3437050236447125
EOS-3-02989,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5nnn(C)n5)c4)n23)cc1C,VFZUHOSQAWCFPD-UHFFFAOYSA-N,3,1,0.38,61,740,439.483,2.241,5,0.446,0.77,1.0,0.20038037146186005,0.08016071550956069,0.1169385237475156,0.0644318415461586,0.11547786306627374
EOS-3-02990,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccco5)c4)n23)nc1,HMTRSBPEXWRKIL-UHFFFAOYSA-N,3,1,0.307,52,523,422.448,4.006,6,0.46,0.92,1.0,0.10680385168939757,0.0392279487355219,0.23622438489479816,0.3264084024398602,0.17716614693989446
EOS-3-02991,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)cc(Cl)c5)no4)n23)cc1,WHIHWXBMZIDGRP-UHFFFAOYSA-N,3,1,0.418,96,837,435.806,3.4,5,0.458,0.81,1.0,0.252424439723117,0.27713145089438695,0.5014049756699335,0.5534319100815571,0.39609819409224867
EOS-3-02992,NC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cncnc5)c4)n23)c(F)c1,JQWZRSMWMLEQLV-UHFFFAOYSA-N,3,1,0.394,14,319,425.427,3.077,5,0.463,0.8,1.0,0.2003889383866767,0.23589027482694813,0.654812898362004,0.6097851415255979,0.4252193132753067
EOS-3-02993,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,CAEVLIBTICKKKK-UHFFFAOYSA-N,3,1,0.327,52,582,447.502,4.116,6,0.435,0.89,1.0,0.09440751147967925,0.03923651566033857,0.24349770406414914,0.2594321842231513,0.15914347885682956
EOS-3-02994,CC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(Cl)c1,WSWFTKYIGGIWAF-UHFFFAOYSA-N,3,1,0.441,0,21,460.925,3.835,5,0.498,0.78,1.0,0.1586423137550545,0.1397693783839353,0.10840586663011445,0.21570659995887875,0.15563103968199574
EOS-3-02995,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnn5)c4)n23)cc1,SBTXIZRHNKPHDU-UHFFFAOYSA-N,3,1,0.547,43,637,455.453,3.326,5,0.418,0.83,1.0,0.82442944280721,0.44087108491535876,0.640497566993352,0.5068792406277842,0.6031693338359263
EOS-3-02996,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cc4F)n23)cc1F,VZOOUKUAZVYJSS-UHFFFAOYSA-N,3,1,0.33,74,768,445.393,2.343,5,0.447,0.72,1.0,0.27346480707285314,0.24139880748406553,0.5087211294633678,0.4664176547186622,0.37250059968473714
EOS-3-02997,CC(c1cccc(F)c1Cl)c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,UKCUFMXZFJHZFC-UHFFFAOYSA-N,3,1,0.4,63,505,436.878,4.023,5,0.51,0.78,1.0,0.1694709067233226,0.2563138235898842,0.598202659173463,0.6709872524158728,0.4237436604756356
EOS-3-02998,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnc(F)c5)cn4)n23)cc1,ZQIVYIHHAVFBHN-UHFFFAOYSA-N,3,1,0.373,74,453,426.415,2.809,5,0.44,0.82,1.0,0.23058734836543074,0.20585463641971077,0.42736104447947365,0.3424199849222123,0.3015557535467069
EOS-3-02999,Cc1nc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)ccc1Cl,VUKXCYLCSQGZOZ-UHFFFAOYSA-N,3,1,0.363,0,825,418.888,4.051,5,0.501,0.92,1.0,0.0804262901788774,0.13229045301898432,0.009586388869851277,0.08781097937084505,0.07752852785963951
EOS-3-03000,CCCCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C(F)F)cn4)n23)nc1,MIDGJKJNGUZLDZ-UHFFFAOYSA-N,3,1,0.287,63,108,424.415,3.111,4,0.454,0.86,0.79,0.09441607840449592,0.0993163593996299,0.140112055376602,0.11748680693578233,0.11283282502912755
EOS-3-03001,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccccc5)c4)n23)nc1,BQFOAZYCYDHMJW-UHFFFAOYSA-N,3,1,0.291,52,523,434.463,3.203,6,0.452,0.8,1.0,0.10173223219793023,0.030129874580220685,0.12266979644986635,0.19769892399424302,0.11305770680556507
EOS-3-03002,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cccnc5)nn4)n23)cc1,YHNIDCBQRHYFEW-UHFFFAOYSA-N,3,1,0.376,52,916,466.48,3.265,6,0.409,0.85,1.0,0.16668665615790557,0.17043040230278939,0.1806507436090741,0.25350387225001714,0.19281791857994654
EOS-3-03003,CNC(=O)c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)ccc1Cl,AZLMFAWBTDORHP-UHFFFAOYSA-N,3,1,0.633,23,721,460.296,4.218,4,0.466,0.84,1.0,0.8919196765129189,0.7881913508327051,0.8647710917688987,0.8753084092934,0.8550476321019808
EOS-3-03004,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccccc5)ncn4)n23)cc1,CGGDZOHGQXUHPH-UHFFFAOYSA-N,3,1,0.478,1,347,437.463,3.187,5,0.435,0.81,1.0,0.5688523747515591,0.28748029607292164,0.37631073949695015,0.2535124391748338,0.3715389623740662
EOS-3-03005,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)cc1,YDEQLFDQXHCOTI-UHFFFAOYSA-N,3,1,0.494,1,347,437.463,3.187,5,0.435,0.81,1.0,0.537034815982455,0.2771400178192036,0.34587245562332947,0.23297752038928107,0.34825620245356725
EOS-3-03006,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cnc(-c5ccc(F)cn5)cn4)n23)cc1,SGUVZQDQBIZLGT-UHFFFAOYSA-N,3,1,0.447,89,412,442.414,2.934,5,0.441,0.76,1.0,0.739916729490782,0.4584761154136111,0.39857617709546983,0.27433863340415326,0.4678269138510041
EOS-3-03007,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cncnn5)nn4)n23)cc1,CMAJCQXOCIUVRE-UHFFFAOYSA-N,3,1,0.362,74,295,425.416,1.116,6,0.438,0.8,1.0,0.021562949763552875,0.007847303132067713,0.01739085737783565,0.029924268384620655,0.019181344664519224
EOS-3-03008,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnn(C)c5C)n4)n23)cc1,DZOKEMYWVIVQAV-UHFFFAOYSA-N,3,1,0.343,74,423,424.468,2.922,5,0.476,0.81,1.0,0.07017168117332602,0.050339250222740044,0.19752758549790966,0.10161229525049688,0.10491270303611815
EOS-3-03009,COCc1nc(C(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,GEBOHNDFIPSKHX-UHFFFAOYSA-N,3,1,0.324,0,862,450.449,3.83,5,0.46,0.83,1.0,0.34097217462819546,0.1792629017887739,0.4737852100609965,0.4318158453841409,0.3564590329655267
EOS-3-03010,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cn1,XVKPVEXEUQZWEW-UHFFFAOYSA-N,3,1,0.551,90,636,427.827,2.355,4,0.503,0.7,1.0,0.594570283051196,0.5215886505380029,0.32378692344595983,0.2892365156603386,0.43229559317387434
EOS-3-03011,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cccc(F)c5)s4)n23)cc1,HIXNKNBQTJDBPI-UHFFFAOYSA-N,3,1,0.388,62,3,430.468,4.081,5,0.464,0.84,1.0,0.15062367212665342,0.2615739154273182,0.5014135425947502,0.46940751147967924,0.3457546604071003
EOS-3-03012,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4cnc(C)cn4)n23)cc1,ZGZSALSUNORUQN-UHFFFAOYSA-N,3,1,0.337,74,139,422.452,2.978,5,0.474,0.8,1.0,0.1532108834212871,0.0539973271194572,0.22911383729696388,0.14417277773970255,0.14512370639435268
EOS-3-03013,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncon5)nc4)n23)nc1,PZDGPCCSAUSONX-UHFFFAOYSA-N,3,1,0.343,33,53,441.411,2.316,6,0.416,0.81,1.0,0.38241895689123434,0.1664639161126722,0.03147488177643753,0.03722328832842163,0.15439526077719143
EOS-3-03014,CC(=O)c1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,IMXQJRNHNYVFAZ-UHFFFAOYSA-N,3,1,0.446,63,66,430.428,1.65,5,0.434,0.84,1.0,0.3083236241518744,0.13977794530875198,0.010066136659584675,0.004900280995133986,0.11576699677883627
EOS-3-03015,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5OC)cn4)n23)cc1F,HSFJPHNKNNKKRG-UHFFFAOYSA-N,3,1,0.386,96,837,455.453,3.423,5,0.433,0.83,1.0,0.4664690562675622,0.4806301829895141,0.5359982180796381,0.40604653553560416,0.47228599821807965
EOS-3-03016,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnc(C)nn5)c4)n23)cc1Cl,ALJAMQPQSPENNM-UHFFFAOYSA-N,3,1,0.33,61,648,456.897,3.632,5,0.439,0.81,1.0,0.2630731272702351,0.25632239051470085,0.41987355218970596,0.4060551024604208,0.33633104310876566
EOS-3-03017,NC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccc(F)c(F)c4)n23)cc1,IVJFAIQVHSITIK-UHFFFAOYSA-N,3,1,0.472,96,837,429.39,3.292,5,0.469,0.78,1.0,0.2789133712562539,0.24140737440888219,0.6849684737166747,0.6737800699061065,0.4697673223219793
EOS-3-03018,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5F)n4)n23)cc1F,CTBMZUZVDMABJS-UHFFFAOYSA-N,3,1,0.333,29,704,470.443,3.481,6,0.419,0.89,1.0,0.2734733739976698,0.3028493591940237,0.2837194160784045,0.422246590363923,0.32057218490850525
EOS-3-03019,Cn1cncc1-c1ncc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)nc4)n23)cn1,SSYGAZKVGLFSET-UHFFFAOYSA-N,3,1,0.344,82,800,438.455,1.89,6,0.417,0.82,0.995,0.07212494003152628,0.01868446302515249,0.0018504557604002467,0.0028527859639503805,0.023878161195257347
EOS-3-03020,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)c(F)c4)n23)cn1,KICFUOUAUSEJSS-UHFFFAOYSA-N,3,1,0.388,85,290,441.43,2.128,5,0.44,0.76,1.0,0.22800870399561374,0.22079535329997943,0.30176992666712354,0.25036837776711673,0.25023559043245835
EOS-3-03021,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccc(F)cn5)ncn4)n23)cn1,WUSSHZUTVXLNPO-UHFFFAOYSA-N,3,1,0.376,85,290,441.43,2.128,5,0.44,0.76,1.0,0.24407168802686588,0.22611541361113016,0.17091871701733946,0.13485196353916798,0.19398944554862588
EOS-3-03022,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5F)n34)nc2)n1,AKPWZTNVOUQEGY-UHFFFAOYSA-N,3,1,0.343,74,295,455.457,2.68,6,0.433,0.8,0.928,0.1147796586937153,0.2208039202247961,0.1583167706120211,0.1977074909190597,0.17290196011239806
EOS-3-03023,Cn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,QXZNVACTWDXJDF-UHFFFAOYSA-N,3,1,0.29,33,432,438.455,1.936,6,0.441,0.78,0.997,0.07820745665136043,0.03013844150503735,0.029264615173737234,0.03843979165238846,0.04401257624563087
EOS-3-03024,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(COCc5ccccc5)c4)n23)cc1,NKQYRHVFHGLGAW-UHFFFAOYSA-N,3,1,0.337,62,124,439.479,3.189,5,0.418,0.85,0.999,0.12535981084230005,0.0869457199643616,0.4309077513535741,0.3079381125351244,0.23778784867384004
EOS-3-03025,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)nc4)n23)cc1,HESCOZSKSDAHFH-UHFFFAOYSA-N,3,1,0.387,52,916,466.48,3.265,6,0.409,0.84,1.0,0.21143170447536153,0.16647248303748885,0.18403467891165787,0.22710917688986362,0.19726201082859296
EOS-3-03026,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cc(F)cc5F)cn4)n23)cc1,KUMZCLONILZQHZ-UHFFFAOYSA-N,3,1,0.433,96,533,446.392,4.037,5,0.449,0.83,1.0,0.32617709546981016,0.4046672606401206,0.910304297169488,0.8933246521828524,0.6336183263655678
EOS-3-03027,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)cn1,VDQCOIHPLMXXOO-UHFFFAOYSA-N,3,1,0.372,66,455,422.399,2.397,5,0.508,0.76,1.0,0.12834110067850044,0.15872798300322116,0.11969707353848262,0.15712596806250428,0.14097303132067712
EOS-3-03028,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ncc(F)cn5)ccn4)n23)cc1,LWSVMTLNYAXGPD-UHFFFAOYSA-N,3,1,0.421,14,357,426.415,2.472,5,0.458,0.77,1.0,0.3032434377355904,0.15495853608388732,0.3274278664930437,0.26860736070180247,0.263559300253581
EOS-3-03029,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cccnc5F)cc4F)n23)cn1,PHQIKOZYLMRKIP-UHFFFAOYSA-N,3,1,0.375,82,155,430.378,2.687,5,0.435,0.8,0.908,0.24408025495168253,0.25143067644438355,0.47050407785621273,0.4694160784044959,0.35885777191419366
EOS-3-03030,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnn4Cc4cc(OC)ccn4)n23)cc1,RLNCOCBXHQMPIB-UHFFFAOYSA-N,3,1,0.333,74,333,440.467,2.466,5,0.432,0.8,1.0,0.15865088067987115,0.11242375436913166,0.21482420670276198,0.10382256185319717,0.1474303509012405
EOS-3-03031,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5F)n4)n23)cc1,LPIPZFDFCGBJDU-UHFFFAOYSA-N,3,1,0.355,74,331,458.432,3.209,6,0.434,0.82,1.0,0.13915255979713523,0.2563309574395175,0.3164879035021589,0.43505414296484135,0.28675639092591326
EOS-3-03032,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5)n4)n23)cc1,OUWIIEPZLTZSLO-UHFFFAOYSA-N,3,1,0.337,62,302,434.463,3.203,6,0.452,0.79,1.0,0.13916112672195188,0.05400589404427387,0.09309677198272907,0.16506750736755535,0.11283282502912753
EOS-3-03033,CCOc1cc(F)cc(Cl)c1Cc1cncc2nnc(-c3ccc(C(N)=O)cn3)n12,PTWMFSCKAYTSDL-UHFFFAOYSA-N,3,1,0.385,90,505,426.839,3.067,4,0.507,0.71,0.358,0.41758618326365565,0.41868274964018914,0.5258892467959702,0.484785141525598,0.46173583030635323
EOS-3-03034,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(C#N)c5)cn4)n23)nc1,ITZUABFPVTTYOV-UHFFFAOYSA-N,3,1,0.291,33,432,434.423,1.937,5,0.448,0.76,1.0,0.20296758275649374,0.09932492632444657,0.23284044959221437,0.16239462682475497,0.17438189637447743
EOS-3-03035,Cc1cc(-c2ncoc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(F)cc1F,BRZHYOBNWGCQLR-UHFFFAOYSA-N,3,1,0.421,96,648,432.39,3.799,5,0.462,0.82,1.0,0.31105647316839147,0.3370485230621616,0.747318552532383,0.6829381125351244,0.5195904153245151
EOS-3-03036,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)cc1Cl,OGYSNRSBIYSHOR-UHFFFAOYSA-N,3,1,0.527,63,306,470.32,3.402,5,0.441,0.84,1.0,0.5500394078541567,0.42310328284558973,0.14293914056610238,0.30477691727777395,0.3552146871359057
EOS-3-03037,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)nc1,XNOIGKODIHROQQ-UHFFFAOYSA-N,3,1,0.333,94,219,451.429,2.64,6,0.398,0.82,1.0,0.24166438215338223,0.29291172640668905,0.17765231992324035,0.2657460078130354,0.2444936090740868
EOS-3-03038,Cn1cnc(Cl)c1-c1cncc2nnc(-c3ccc(C(=O)N4CCOCC4)cn3)n12,QBKQVLBERAJQRL-UHFFFAOYSA-N,3,1,0.352,63,686,424.852,1.713,5,0.493,0.8,0.999,0.015943047083818794,0.020654855732986088,0.0018590226852169146,0.006690768281817559,0.01128692344595984
EOS-3-03039,CC(C#N)NC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1F,KFNJCVWCXNMBPD-UHFFFAOYSA-N,3,1,0.294,63,862,470.468,2.526,5,0.442,0.82,1.0,0.19197621821670893,0.19644815297100954,0.31649647042697554,0.28336817216092114,0.24707225344390377
EOS-3-03040,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nncs5)cn4)n23)cc1,BEUJSTOMGUPXQU-UHFFFAOYSA-N,3,1,0.368,52,916,454.519,3.188,6,0.419,0.8,1.0,0.07018024809814269,0.03325680213830443,0.07038585429374272,0.09550407785621273,0.06733174559660064
EOS-3-03041,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)s4)n23)cc1,DURYUVNIURSHJN-UHFFFAOYSA-N,3,1,0.282,61,917,443.496,2.602,6,0.444,0.81,1.0,0.0967891165787129,0.0731872387087931,0.012267836337468302,0.02534096360770338,0.05189628880816942
EOS-3-03042,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)nc5)c4)n23)cc1Cl,IQIRLBCOAJUQQW-UHFFFAOYSA-N,3,1,0.33,74,246,448.849,3.191,5,0.423,0.8,1.0,0.02941025289562059,0.1832550887533411,0.6196114042903159,0.6066839147419643,0.3597401651703105
EOS-3-03043,Cn1nccc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)n1,AKFFRFSQLMCGGK-UHFFFAOYSA-N,3,1,0.321,52,423,454.469,3.285,6,0.437,0.79,1.0,0.12272976492358303,0.15873654992803782,0.2044924953738606,0.2626190802549517,0.1871444726201083
EOS-3-03044,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)nc4)n23)nc1,YDQDVGMULDXSEM-UHFFFAOYSA-N,3,1,0.308,82,523,452.453,3.342,6,0.435,0.83,0.996,0.18068501130834075,0.17510794325269002,0.25435199780686724,0.3393101912137619,0.23736378589541496
EOS-3-03045,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-n5cnc(C)c5)n4)n23)cc1F,KKXVKEDECJDPTD-UHFFFAOYSA-N,3,1,0.333,74,768,428.431,2.846,5,0.472,0.77,1.0,0.07213350695634295,0.154967103008704,0.37251559180316635,0.2743472003289699,0.2184908505242958
EOS-3-03046,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cc1,VMKWXITXRJYHDL-UHFFFAOYSA-N,3,1,0.35,52,423,452.453,3.342,6,0.435,0.79,1.0,0.19458056336097596,0.1587451168528545,0.16155506819272153,0.22121513261599615,0.18402397025563705
EOS-3-03047,CONC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cc4F)n23)cc1,KGDYIRRHOQXHGG-UHFFFAOYSA-N,3,1,0.364,61,269,445.418,2.079,5,0.408,0.83,1.0,0.3409807415530121,0.24141594133369887,0.30544513741347407,0.22711774381468028,0.2787398910287163
EOS-3-03048,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)cn4)n23)cc1,WAWLFVMXUWCGBP-UHFFFAOYSA-N,3,1,0.352,62,331,455.909,4.19,6,0.429,0.9,1.0,0.13127955589061752,0.22081248714961277,0.4123603591254883,0.5469981495442396,0.3278626379274896
EOS-3-03049,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(F)cn5)n34)c(Cl)c2)CC1,MAHZONRICDBSCI-UHFFFAOYSA-N,3,1,0.402,63,9,436.878,3.852,5,0.513,0.77,1.0,0.2710575011993695,0.34222294565142897,0.2945223082722226,0.49065348502501543,0.3496140600370091
EOS-3-03050,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(F)cn5)nc4)n23)cc1,DLRNCIDYBSYTDZ-UHFFFAOYSA-N,3,1,0.444,89,731,442.414,2.934,5,0.441,0.77,1.0,0.8392930573641286,0.5443852374751559,0.35369405798094716,0.2389315331368652,0.4940759714892742
EOS-3-03051,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cc4F)n23)cc1,UEXPVBXVVJGGTI-UHFFFAOYSA-N,3,1,0.363,62,302,451.465,3.947,6,0.435,0.85,1.0,0.2682818175587691,0.2514392433692002,0.45650572270577755,0.5304896854225207,0.3766791172640669
EOS-3-03052,COc1ccccc1-c1ncc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cn1,LLBDUNUMYQNQRP-UHFFFAOYSA-N,3,1,0.518,89,230,453.462,2.935,5,0.398,0.88,0.999,0.5743951751079432,0.18326365567815778,0.3537026249057638,0.18676752792817491,0.3245322459050099
EOS-3-03053,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(C)o5)nc(C)n4)n23)cc1,MKACWUWBIXIUQY-UHFFFAOYSA-N,3,1,0.333,74,333,440.467,3.27,5,0.442,0.82,1.0,0.1586594476046878,0.06938352409019258,0.11095881022548146,0.04462511137002262,0.09590672332259612
EOS-3-03054,Cc1nc(-c2ccccn2)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,WMFJECSYECOMIG-UHFFFAOYSA-N,3,1,0.33,52,423,448.49,3.511,6,0.438,0.83,1.0,0.13664245082585155,0.025169625111370022,0.09804845452676307,0.11974847508738264,0.09490225138784182
EOS-3-03055,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1F,HRUDZJDNSRHVCE-UHFFFAOYSA-N,3,1,0.327,62,246,439.454,3.675,6,0.451,0.79,0.999,0.04315160030155575,0.18327222260297443,0.36104447947364815,0.4694246453293126,0.2642232369268728
EOS-3-03056,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccnc(F)c5)n4)n23)cc1,NHQQDYWBYVYIHA-UHFFFAOYSA-N,3,1,0.343,74,295,453.441,2.737,6,0.403,0.85,1.0,0.18069357823315743,0.14693989445548625,0.14917586183263656,0.21832807895277911,0.17378435336851483
EOS-3-03057,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nn[nH]n5)ccc4OC)n23)cc1F,YYOXQWTXOAKBEQ-UHFFFAOYSA-N,3,1,0.336,61,413,445.418,2.146,5,0.42,0.85,1.0,0.46647762319237884,0.44973785210060996,0.38389246795970117,0.26262764717976833,0.39068389760811456
EOS-3-03058,CCn1nc(C(F)F)cc1Cc1cncc2nnc(-c3ccc(C(=O)N4CCOCC4)cc3)n12,BCLXUFWNHIAJJG-UHFFFAOYSA-N,3,1,0.495,78,751,467.48,3.009,5,0.433,0.85,1.0,0.03185182646837091,0.012927489548351724,0.01521485847440203,0.03616098965115482,0.02403879103556987
EOS-3-03059,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccnn5)c4)n23)c(Cl)c1,JPOAMPSCTYSEDB-UHFFFAOYSA-N,3,1,0.366,14,740,442.87,2.986,5,0.443,0.76,0.991,0.18621067781509149,0.21071208279076142,0.4090106915221712,0.4189911589335892,0.30623115276540336
EOS-3-03060,CCn1nc(-c2ccoc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3F)n12,HVMRLJZCLZCSLK-UHFFFAOYSA-N,3,1,0.35,74,333,432.419,2.828,5,0.454,0.77,1.0,0.1253683777671167,0.2358988417517648,0.07684531560551025,0.07339284490439311,0.12787634500719622
EOS-3-03061,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cn(C)nn5)nc4)n23)cc1,BJDSDFLBZYLEQL-UHFFFAOYSA-N,3,1,0.529,89,398,441.455,1.92,5,0.424,0.85,1.0,0.36380302926461516,0.13229901994380097,0.16786889178260572,0.07535467068741004,0.184831402919608
EOS-3-03062,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)nc4)n23)cn1,OWQZAZPKNZZOCL-UHFFFAOYSA-N,3,1,0.443,55,879,439.439,1.977,5,0.421,0.83,1.0,0.5660595572613255,0.27196559522993624,0.0812487149612775,0.0372318552532383,0.2391264306764444
EOS-3-03063,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cccnn5)ncn4)n23)cc1,KBIJXPNWCYIGEX-UHFFFAOYSA-N,3,1,0.363,14,740,423.44,1.989,5,0.455,0.77,1.0,0.1945891302857926,0.03924508258515523,0.14918442875745322,0.09160612706462888,0.11865619217325749
EOS-3-03064,CNC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)c(OC)cc(F)c4Cl)n23)nc1,DJZDTHYPWCXZFP-UHFFFAOYSA-N,3,1,0.402,90,244,460.828,3.065,4,0.441,0.79,1.0,0.6172040984168323,0.5493112192447399,0.7473271194571997,0.6066924816667809,0.6301337296963881
EOS-3-03065,Cn1cc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)cn1,XYBMBDIJUONMDM-UHFFFAOYSA-N,3,1,0.355,52,916,451.494,2.465,6,0.422,0.79,1.0,0.07402679734082654,0.05034781714755671,0.07685388253032692,0.07913268453156055,0.07009029538756767
EOS-3-03066,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4OC)n23)cc1,JRMSGGULWRPECV-UHFFFAOYSA-N,3,1,0.349,61,269,455.482,2.407,5,0.414,0.83,1.0,0.19741621547529298,0.09314817353162909,0.11970564046329929,0.05387739017202385,0.1160368549105613
EOS-3-03067,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nc5)cn4)n23)cc1,MASGHUKKHQXZCA-UHFFFAOYSA-N,3,1,0.411,62,357,439.454,3.338,5,0.422,0.79,1.0,0.2416729490781989,0.20586320334452746,0.5790812829826606,0.46943321225412926,0.37401266191487903
EOS-3-03068,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)nc1,BCGNPGMCPOXUMP-UHFFFAOYSA-N,3,1,0.302,68,457,414.351,2.412,4,0.546,0.86,0.97,0.23886299773833186,0.22082105407442945,0.6225412925776164,0.43782982660544173,0.38001379274895486
EOS-3-03069,CCn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)nc3)n12,QLGASVKEXLYLJC-UHFFFAOYSA-N,3,1,0.347,61,336,443.446,2.63,5,0.444,0.82,1.0,0.1919847851415256,0.3569580563360976,0.04719518881502296,0.05388595709684052,0.16250599684737166
EOS-3-03070,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccsc5)no4)n23)cc1,PZQODSWOQAUCJS-UHFFFAOYSA-N,3,1,0.466,89,731,433.453,2.841,5,0.434,0.82,1.0,0.46150880679871154,0.2667911726406689,0.09805702145157974,0.051307312727023505,0.21941607840449592
EOS-3-03072,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)n(C)n1,GRFDVUKYHIZQPT-UHFFFAOYSA-N,3,1,0.317,52,295,451.494,2.849,6,0.437,0.8,1.0,0.10431087656774723,0.0392536495099719,0.0314834487012542,0.03966486190117195,0.05367820917003632
EOS-3-03073,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnc(F)cn5)n4)n23)cc1,NLEHKBHJIWTNFO-UHFFFAOYSA-N,3,1,0.42,14,357,458.432,2.872,5,0.431,0.78,1.0,0.2817490233705709,0.25633952436433416,0.4273696114042903,0.35512473442533066,0.3301457233911315
EOS-3-03074,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)n2)nn1,CUJBYPDIRKBKAV-UHFFFAOYSA-N,3,1,0.314,33,432,450.466,2.301,6,0.427,0.78,1.0,0.0845983825645946,0.027379891714070317,0.014563772188335275,0.01958399013090261,0.036531509149475706
EOS-3-03075,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nc1)N1CCCC1,SHALFAGSHARFSY-UHFFFAOYSA-N,3,1,0.37,52,821,448.49,3.546,6,0.414,0.85,0.999,0.05380028784867384,0.009166609553834556,0.007890137756151052,0.043365773421972446,0.02855570214515797
EOS-3-03076,NC(=O)c1ccc(-c2nnc3cncc(Oc4nccc(-c5ccc(Cl)nn5)n4)n23)cc1,GWUBPUJGKVKKKK-UHFFFAOYSA-N,3,1,0.448,72,374,445.83,2.583,5,0.43,0.79,0.877,0.6794428072099239,0.4584846823384278,0.2081677061202111,0.16759475018847234,0.3784224864642588
EOS-3-03077,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(C(F)F)cc5)n4)n23)cc1,PZYUWDYLRDVPRX-UHFFFAOYSA-N,3,1,0.333,62,124,446.421,3.336,5,0.444,0.8,1.0,0.08043485710369405,0.12194160784044959,0.6372678363374683,0.5266774038791036,0.3415804262901789
EOS-3-03078,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccc(C(=O)N5CC(F)C5)c4)n23)cc1,BXTMVALWXAPRPD-UHFFFAOYSA-N,3,1,0.373,61,269,455.457,2.443,6,0.41,0.82,1.0,0.1640651771640052,0.15093208142005346,0.05266945377287369,0.11515660338564869,0.12070582893564527
EOS-3-03079,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)o5)c4)n23)cn1,SCIWVPNEABACKV-UHFFFAOYSA-N,3,1,0.452,89,250,442.439,2.483,5,0.421,0.85,1.0,0.44311561921732573,0.17927146871359056,0.11694709067233226,0.05253238297580701,0.1979666403947639
EOS-3-03080,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnccn5)n4)n23)cc1,XEPQUNYDSOSVKY-UHFFFAOYSA-N,3,1,0.489,89,731,438.451,2.582,5,0.43,0.81,1.0,0.4740507847303132,0.1964567198958262,0.2507196216846001,0.13486053046398463,0.26402191419368104
EOS-3-03081,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)c(F)c1,XNJUKFKKDRXWPO-UHFFFAOYSA-N,3,1,0.512,23,406,443.841,4.052,4,0.486,0.79,1.0,0.8438078267425125,0.7540949900623672,0.8430111027345624,0.820145980398876,0.8152649749845795
EOS-3-03082,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(C(F)F)c4)n23)cc1,XPROYXXMUXUJMD-UHFFFAOYSA-N,3,1,0.523,90,12,428.374,3.202,4,0.474,0.78,1.0,0.7949934891371393,0.5304639846480708,0.8769703927078336,0.7241364539784799,0.7316410801178809
EOS-3-03083,O=C(c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)cc1)N1CCC(F)C1,DRLWMLMMHCMIBZ-UHFFFAOYSA-N,3,1,0.358,0,901,454.412,3.639,5,0.458,0.81,1.0,0.30833219107669113,0.3028579261188404,0.38755911178123503,0.5233962716743198,0.3805363751627716
EOS-3-03084,N#Cc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,CLSTYHWMVUKINB-UHFFFAOYSA-N,3,1,0.438,63,334,413.416,2.68,5,0.539,0.87,1.0,0.254823178671784,0.25634809128915087,0.29453087519703924,0.3521434445891303,0.2894613974367761
EOS-3-03085,Cn1c(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nnc1C(F)F,JXHNULRCHJOVIM-UHFFFAOYSA-N,3,1,0.436,63,66,441.402,1.724,5,0.46,0.76,1.0,0.3287985744637105,0.27197416215475295,0.014572339113151943,0.01665410184360222,0.1579997943938044
EOS-3-03086,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)nc4)n23)cc1Cl,KKQZDXCKLPIVMI-UHFFFAOYSA-N,3,1,0.316,0,169,479.903,3.05,5,0.471,0.88,1.0,0.27106606812418615,0.3569666232609143,0.09537557398396272,0.165076074292372,0.22212108491535879
EOS-3-03087,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ccccn5)nc4)n23)cc1,SMXKPMHTXRTYHG-UHFFFAOYSA-N,3,1,0.409,62,886,435.491,3.393,5,0.439,0.83,1.0,0.21392467959701186,0.06589678568980879,0.28740319374957163,0.2037728736892605,0.19274938318141321
EOS-3-03088,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)NC5CC5)cn4)n23)nc1,GBGUAZLJLORHNX-UHFFFAOYSA-N,3,1,0.337,63,505,442.483,1.814,5,0.447,0.72,1.0,0.06820128846549242,0.012936056473168391,0.01739942430265232,0.010083270509218012,0.027155009937632785
EOS-3-03089,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnn(-c4cccnn4)c3)n12,FYDZLIZMFGERFA-UHFFFAOYSA-N,3,1,0.3,52,246,453.466,2.335,6,0.415,0.81,0.203,0.04168665615790556,0.06939209101500925,0.08125728188609417,0.07724796107189363,0.06739599753272565
EOS-3-03090,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccn5)n4)n23)nc1,KONPPUWZLAQUNJ-UHFFFAOYSA-N,3,1,0.343,33,432,436.439,1.992,6,0.438,0.77,0.964,0.09194023713247892,0.03014700842985402,0.012773284901651702,0.018350352957302446,0.03830272085532177
EOS-3-03091,COc1ncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4CF)n23)cn1,RJACLOAASVNPJO-UHFFFAOYSA-N,3,1,0.447,63,536,449.446,2.531,5,0.436,0.79,1.0,0.36848913713933246,0.13597423069015147,0.11370879309163183,0.08078610102117743,0.1747395654855733
EOS-3-03092,COc1ncc(F)cc1-c1nnc2cncc(-c3ccc(C(=O)N4CC(F)C4)cc3)n12,MYBYZIHVQULTSG-UHFFFAOYSA-N,3,1,0.368,0,688,422.395,2.795,5,0.503,0.83,1.0,0.3638115961894318,0.2979062435748064,0.19055410869714207,0.25352100609965045,0.2764482386402577
EOS-3-03093,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(Cl)cc4)n23)cc1,WQHGICMHEVTLCX-UHFFFAOYSA-N,3,1,0.373,62,124,442.87,3.323,5,0.454,0.79,1.0,0.2086388869851278,0.3130439997258584,0.3985847440202865,0.4286032485778905,0.3372177198272908
EOS-3-03094,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cncnn5)cn4)n23)cc1,HWRCGVOQSCFLEF-UHFFFAOYSA-N,3,1,0.321,74,295,424.428,1.721,6,0.452,0.8,1.0,0.05223254060722363,0.01869302994996916,0.052678020697690356,0.07536323761222671,0.04974170721677747
EOS-3-03095,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)nc1,WLTXGGAWUXNFMP-UHFFFAOYSA-N,3,1,0.318,52,376,454.469,3.048,6,0.414,0.85,1.0,0.11995408128298266,0.13598279761496812,0.14594613117675279,0.20061167843191008,0.15062367212665342
EOS-3-03096,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2)o1,MUVYAIFDEFEELE-UHFFFAOYSA-N,3,1,0.55,89,637,427.424,2.828,5,0.437,0.84,1.0,0.5688609416763758,0.19646528682064285,0.29453944212185595,0.17035329997943938,0.3075547426495785
EOS-3-03097,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)c5)cn4)n23)cc1,UILWLGXXWIGOFU-UHFFFAOYSA-N,3,1,0.5,1,210,455.453,3.326,5,0.418,0.83,1.0,0.7033616612980604,0.4497464190254266,0.5158402439860188,0.4158470975258721,0.5211988554588445
EOS-3-03098,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(C)=O)cn4)n23)cc1OC,CTWDDLGNDMBNAS-UHFFFAOYSA-N,3,1,0.468,63,12,433.428,1.731,4,0.432,0.8,1.0,0.3593482283599479,0.08367315468439449,0.08382735933109452,0.012336371736001646,0.13479627852785964
EOS-3-03099,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cncs5)c4)n23)cc1,UVWWMPVTOQDEJK-UHFFFAOYSA-N,3,1,0.389,62,3,430.468,4.081,5,0.464,0.85,1.0,0.28175759029538755,0.2667997395654856,0.679648413405524,0.6067010485915976,0.45872669796449866
EOS-3-03100,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)cn1,JTQHDYLIHMXZPP-UHFFFAOYSA-N,3,1,0.322,74,333,436.439,1.902,5,0.412,0.82,1.0,0.1747138647111233,0.06590535261462545,0.17766088684805703,0.1285124391748338,0.1366981358371599
EOS-3-03101,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccc(F)c5)c4)n23)cc1F,CFVJKHWUTWUSKQ-UHFFFAOYSA-N,3,1,0.378,96,648,428.402,3.897,5,0.468,0.83,1.0,0.27892193818107053,0.2563566582139675,0.8647796586937153,0.8724898910287163,0.5681370365293674
EOS-3-03102,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnn5)cc4)n23)cc1,SBZGPNRHXQASEN-UHFFFAOYSA-N,3,1,0.409,62,319,435.491,3.393,5,0.439,0.82,1.0,0.2497858268795833,0.11858337331231582,0.3910972517305188,0.2921578370228223,0.26290607223631
EOS-3-03103,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5ccccn5)n4)n23)cn1,HAQQWOGJQWGXHS-UHFFFAOYSA-N,3,1,0.36,82,155,427.403,2.204,5,0.463,0.75,0.948,0.27348194092248646,0.2107206497155781,0.09310533890754574,0.0807946679459941,0.1645256493729011
EOS-3-03104,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(C)c(F)c5)n4)n23)cc1,QWXVULADVNTBSR-UHFFFAOYSA-N,3,1,0.341,74,331,428.431,2.846,5,0.472,0.78,1.0,0.11751250771023233,0.17928003563840725,0.4056781577684874,0.31718182441230897,0.254913131382359
EOS-3-03105,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nncn5C)nc4)n23)cc1,DKUYAWQLNSMZKN-UHFFFAOYSA-N,3,1,0.535,89,512,441.455,1.92,5,0.424,0.81,1.0,0.4615173737235282,0.1289664861901172,0.13373826331300118,0.06127064628880817,0.1963731923788637
EOS-3-03106,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1F,HWSHEDPQRHQJOX-UHFFFAOYSA-N,3,1,0.522,90,636,454.849,2.686,5,0.477,0.79,1.0,0.6399664176547186,0.4894112809265986,0.5529350284421904,0.5440425604824892,0.5565888218764992
EOS-3-03107,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)nc4)n23)nc1,PDVHBZTUEDTEIY-UHFFFAOYSA-N,3,1,0.283,63,169,476.447,2.232,6,0.469,0.82,0.994,0.21144027140017818,0.23590740867658144,0.02815091494757042,0.08246521828524433,0.13949095332739359
EOS-3-03108,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)c1,JNNCLKIDKZTYGM-UHFFFAOYSA-N,3,1,0.308,82,974,439.443,1.331,6,0.429,0.8,1.0,0.08460694948941128,0.03926221643478857,0.009277979576451238,0.014332465218285245,0.03686990267973408
EOS-3-03109,NC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5F)n4)n23)cc1F,BTBYASSCDBOKTA-UHFFFAOYSA-N,3,1,0.333,22,681,436.357,2.555,5,0.463,0.74,0.898,0.08044342402851072,0.25144781029401686,0.62538551161675,0.6679888287300391,0.4063163936673292
EOS-3-03110,Cc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)nn1,LNIYADRCZHDMMS-UHFFFAOYSA-N,3,1,0.33,74,453,450.466,2.301,6,0.427,0.77,1.0,0.08045199095332739,0.02517819203618669,0.019995202522102667,0.025349530532520047,0.0377437290110342
EOS-3-03111,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(C)nn5)c4)n23)cc1,UNZLULAZPLAVRW-UHFFFAOYSA-N,3,1,0.361,62,124,422.452,2.978,5,0.474,0.8,1.0,0.13378966486190116,0.04668974025083956,0.2435062709889658,0.1650846412171887,0.14726757932972379
EOS-3-03112,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)cc1,KBNPOZGOIVMGFC-UHFFFAOYSA-N,3,1,0.381,29,849,429.831,2.458,5,0.43,0.79,0.996,0.2280172709204304,0.21072921664039476,0.21832807895277911,0.22712631073949696,0.2210502193132753
EOS-3-03113,O=C(c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)nc1)N1CCNCC1,RHNAPJRIRZRNLC-UHFFFAOYSA-N,3,1,0.337,78,505,451.441,1.55,5,0.486,0.69,0.906,0.02721712014255363,0.004094990062367213,0.0058169419505174425,0.016054417106435473,0.013295867315468439
EOS-3-03114,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)cc1,IVJXRBROUDNMLV-UHFFFAOYSA-N,3,1,0.333,62,269,438.495,3.405,5,0.451,0.8,1.0,0.1043194434925639,0.04297169488040573,0.10841443355493112,0.06600815571242546,0.08042843191008156
EOS-3-03115,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nc5)nc4)n23)cn1,IVVFBMSGYRJHOQ-UHFFFAOYSA-N,3,1,0.374,85,290,440.442,2.733,5,0.418,0.81,0.998,0.21676889863614557,0.21073778356521145,0.3458810225481461,0.2686159276266191,0.2605009080940306
EOS-3-03116,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nn1)N1CCCC1,VTQHDIKYCFFQIB-UHFFFAOYSA-N,3,1,0.396,52,821,449.478,2.941,6,0.411,0.82,0.999,0.01422966212048523,0.00539716263450072,0.0023387704749503117,0.010537317524501405,0.008125728188609417
EOS-3-03117,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5)ccn4)n23)nc1,DECJHSILMKQSJR-UHFFFAOYSA-N,3,1,0.402,33,53,441.455,1.92,5,0.424,0.8,1.0,0.24408882187649922,0.10274312932629703,0.18065931053389075,0.0772565279967103,0.15118694743334934
EOS-3-03118,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4Cl)n23)cc1F,GQNNUGLAZBICIV-UHFFFAOYSA-N,3,1,0.343,61,917,463.864,2.801,5,0.435,0.79,1.0,0.3261856623946268,0.35197210609279694,0.39484099787540267,0.435062709889658,0.3770153690631211
EOS-3-03119,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)cc(Cl)n4)n23)cc1,CCGLFJUYZNEQNU-UHFFFAOYSA-N,3,1,0.373,74,917,446.862,2.057,5,0.415,0.79,1.0,0.18923480227537523,0.19647385374545953,0.11096737715029813,0.11279213213624838,0.1523670413268453
EOS-3-03120,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)cc1,PIGNGMCWVFVEAI-UHFFFAOYSA-N,3,1,0.333,62,648,441.47,3.84,5,0.448,0.83,1.0,0.30582208210540746,0.23591597560139813,0.5854379411966281,0.4816153793434309,0.40219784456171614
EOS-3-03121,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccncc5)cn4)n23)cc1,YFRFVGJAKRDVKE-UHFFFAOYSA-N,3,1,0.477,89,943,438.451,2.582,5,0.43,0.79,1.0,0.5370433829072716,0.23592454252621478,0.2763689945857035,0.15713453498732094,0.30161786375162775
EOS-3-03122,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccccn5)ncn4)n23)cc1,SUSLPNOVMDJDBZ-UHFFFAOYSA-N,3,1,0.505,89,731,438.451,2.582,5,0.43,0.79,1.0,0.4913045713110822,0.2514563772188335,0.24708724556233294,0.13486909738880132,0.2811793228702625
EOS-3-03123,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5F)nc4)n23)cc1F,BBHQMQWTELXWMJ-UHFFFAOYSA-N,3,1,0.354,96,533,446.392,4.037,5,0.449,0.8,1.0,0.3570865602083476,0.4453087519703927,0.913062846960455,0.9116835720649715,0.6567854328010417
EOS-3-03124,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(OCc5cccc(F)c5)n4)n23)cc1,RNIXPOGKGZKXAP-UHFFFAOYSA-N,3,1,0.382,29,704,456.441,2.721,5,0.414,0.82,1.0,0.5038208484682338,0.37610513330135015,0.3312230141868275,0.23298608731409773,0.3610337708176273
EOS-3-03125,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cc4F)n23)cc1C,ARCIYLJYOLWMTB-UHFFFAOYSA-N,3,1,0.337,62,648,439.454,3.722,5,0.458,0.8,1.0,0.2873089575765883,0.21559522993626207,0.5625813857857583,0.4569854704955109,0.38061776094852995
EOS-3-03126,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(F)c1F,ROHYVVOTUAUGDU-UHFFFAOYSA-N,3,1,0.305,63,129,463.448,2.773,5,0.455,0.79,0.999,0.2844647385374546,0.2929202933315057,0.21483277362757863,0.22713487766431362,0.25483817079021315
EOS-3-03127,CCOc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(C(F)c3ccccn3)n12,WKWOROICJUWJMA-UHFFFAOYSA-N,3,1,0.368,63,334,432.459,3.536,5,0.48,0.8,0.979,0.25243300664793367,0.2058717702693441,0.35733500102803095,0.2983859913645398,0.27850644232746213
EOS-3-03128,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cc(F)c(F)cn5)cn4)n23)cc1,PFHXZLTWIUWUGX-UHFFFAOYSA-N,3,1,0.44,74,736,430.378,2.687,5,0.465,0.74,1.0,0.23059591529024742,0.17511651017750668,0.5594116236035912,0.5170653142348023,0.3705473408265369
EOS-3-03129,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cn5)cn4)n23)cc1F,NEAXIZUFXVLQJY-UHFFFAOYSA-N,3,1,0.368,74,155,430.378,2.687,5,0.465,0.74,1.0,0.2789305051058872,0.26680830649030224,0.5461928586114728,0.5440511274073059,0.40899569940374203
EOS-3-03130,O=C(NC1CCOCC1)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,CXEAPWQIZUQHAD-UHFFFAOYSA-N,3,1,0.368,63,334,465.464,3.019,5,0.466,0.78,1.0,0.08255088753341101,0.08016928243437736,0.18404324583647455,0.22714344458913027,0.1434767150983483
EOS-3-03131,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5ccccc5F)ccn4)n23)nc1,WXQNDHVRIVVVAL-UHFFFAOYSA-N,3,1,0.327,52,776,451.465,3.947,6,0.435,0.87,0.999,0.2003975053114934,0.21560379686107875,0.3458895894729628,0.47555856349804676,0.30936236378589543
EOS-3-03132,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5OC)cn4)n23)cc1,DKXOGNYNNUGZJG-UHFFFAOYSA-N,3,1,0.333,62,139,437.463,3.284,5,0.45,0.8,1.0,0.2844733054622713,0.1027516962511137,0.3875676787060517,0.21833664587759577,0.2482823315742581
EOS-3-03133,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)cc4OC)n23)cn1,LMQZVQPVHHYKDR-UHFFFAOYSA-N,3,1,0.33,82,204,437.463,3.284,5,0.45,0.8,1.0,0.40859947913097117,0.13978651223356864,0.3948495648002193,0.2657545747378521,0.3022475327256528
EOS-3-03134,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cc(C)ncn5)c4)n23)cc1,VIBBKRWMCCFORF-UHFFFAOYSA-N,3,1,0.326,62,124,421.464,3.583,5,0.476,0.85,1.0,0.21393324652182852,0.042980261805222394,0.4772633815365636,0.3393187581385786,0.2683739120005483
EOS-3-03135,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,BZDAOLCGZCYUEE-UHFFFAOYSA-N,3,1,0.322,63,66,414.429,1.5,5,0.507,0.9,1.0,0.16134946199712152,0.09933349324926324,0.021725721335069562,0.014889315331368651,0.07432449797820574
EOS-3-03136,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc(C(F)(F)F)n1,OQPZWSJFORKWKD-UHFFFAOYSA-N,3,1,0.4,63,457,469.427,3.38,5,0.461,0.81,1.0,0.46152594064834485,0.34714892742101294,0.6135117538208484,0.46012953190322803,0.4705790384483586
EOS-3-03137,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc5ncc(F)cc5c4)n23)cc1,KZQPYGRLSONJEB-UHFFFAOYSA-N,3,1,0.484,89,637,454.465,3.95,6,0.418,0.88,1.0,0.7782537180453705,0.3902319923240354,0.4943286957713659,0.5369491467342883,0.5499408882187651
EOS-3-03138,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccc5F)nc4)n23)cc1,FGTNQUKLRPAOSP-UHFFFAOYSA-N,3,1,0.378,62,3,442.429,4.158,5,0.452,0.83,1.0,0.3032520046604071,0.3422315125762456,0.8478085806318963,0.8053166335412241,0.5746521828524433
EOS-3-03139,CONC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)cc1,PGMOHYOGRGCCQS-UHFFFAOYSA-N,3,1,0.329,74,333,427.428,1.94,5,0.422,0.83,1.0,0.1834949626482078,0.06591391953944212,0.17092728394215612,0.0955126447810294,0.12896220272770886
EOS-3-03140,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5nnn(C)n5)cc4F)n23)cc1F,XBEFFLZBJMQQHE-UHFFFAOYSA-N,3,1,0.346,74,413,448.397,1.682,5,0.44,0.73,1.0,0.3187153039544925,0.2615824823521349,0.21484134055239532,0.20960694948941128,0.25118651908710854
EOS-3-03141,Cn1nnnc1-c1ccc(F)c(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,BNNCQGGCJXZAEG-UHFFFAOYSA-N,3,1,0.429,61,740,429.419,1.811,5,0.451,0.74,1.0,0.19742478240010966,0.25146494414365017,0.24351483791378248,0.23013330135014734,0.2306344664519224
EOS-3-03142,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(CO)c(F)c4)n23)cc1,CQVXXSZRQDJQCT-UHFFFAOYSA-N,3,1,0.408,63,334,418.432,2.301,5,0.498,0.87,1.0,0.3261942293194435,0.19191624974299226,0.25776163388390105,0.29839455828935646,0.26856666780892335
EOS-3-03143,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cc(F)ccn5)n4)n23)cn1,YLJYEGCQYAGIIM-UHFFFAOYSA-N,3,1,0.379,76,423,426.415,2.809,5,0.47,0.76,0.958,0.21677746556096222,0.2058803371941608,0.27984716606127064,0.2503769446919334,0.23822047837708174
EOS-3-03144,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)nc4)n23)cn1,QWHRSZLILUGACY-UHFFFAOYSA-N,3,1,0.347,96,204,451.465,3.947,6,0.435,0.85,0.994,0.22802583784524708,0.24642759235144954,0.3165050373517922,0.4411880611335755,0.3080366321705161
EOS-3-03145,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Br)c(Cl)n4)n23)cc1,QVIVUGHFLKAOQI-UHFFFAOYSA-N,3,1,0.438,66,5,458.707,2.948,4,0.505,0.66,1.0,0.2734905078473031,0.23593310945103146,0.23997669796449866,0.2358731409773148,0.24631836406003702
EOS-3-03146,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cc4F)n23)cn1,ZFMOZZXPSJTUJL-UHFFFAOYSA-N,3,1,0.392,14,81,426.415,2.472,5,0.458,0.75,0.986,0.23610444794736482,0.1876499211842917,0.38757624563086834,0.3652851072578987,0.2941539305051059
EOS-3-03147,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4cccc(-c5ncccn5)c4)n23)cc1,HXYMDNLFBBVNEZ-UHFFFAOYSA-N,3,1,0.477,62,637,449.474,3.933,6,0.418,0.87,1.0,0.5269686793228703,0.23109279692961415,0.23998526488931532,0.25038551161675004,0.31210806318963746
EOS-3-03148,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cccnc4)n23)cc1F,NXUPZWGYYJWZJI-UHFFFAOYSA-N,3,1,0.337,74,155,426.415,2.809,5,0.47,0.78,1.0,0.2734990747721198,0.23594167637584812,0.3537111918305805,0.3232129394832431,0.29659122061544785
EOS-3-03149,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncs5)nn4)n23)cc1F,WKMYXTGHJIYPTN-UHFFFAOYSA-N,3,1,0.39,14,357,446.471,2.794,5,0.442,0.76,1.0,0.24706154478788295,0.24142450825851552,0.239993831814132,0.20378144061407716,0.23306533136865193
EOS-3-03150,O=C(c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)nc1)N1CCCC1,LENYNNZSCBGUAR-UHFFFAOYSA-N,3,1,0.316,52,821,449.478,2.941,6,0.411,0.81,0.785,0.011916592419984922,0.0023987389486669866,0.0015848810910835446,0.004668974025083956,0.005142296621204852
EOS-3-03151,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)c(F)c4F)n23)cc1F,KSRDBDBBYQXMNX-UHFFFAOYSA-N,3,1,0.33,61,917,465.399,2.426,5,0.433,0.79,1.0,0.3288071413885272,0.3471574943458296,0.5293160167226373,0.5202779110410527,0.43138964087451165
EOS-3-03152,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)nc1,LEDLPKQXBDJZOR-UHFFFAOYSA-N,3,1,0.375,68,568,431.794,1.61,4,0.488,0.68,0.965,0.19459769721060927,0.2208296209992461,0.19753615242272635,0.194888972654376,0.20196311082173943
EOS-3-03153,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4)n23)cc1,SFOMSZLOKFENDM-UHFFFAOYSA-N,3,1,0.579,89,230,423.436,2.926,5,0.446,0.85,1.0,0.6913336988554588,0.2208381879240628,0.4421989582619423,0.3079466794599411,0.41557938112535125
EOS-3-03154,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)nc4)n23)cc1,DGQCAQOEQSWDRG-UHFFFAOYSA-N,3,1,0.374,74,740,423.44,1.989,5,0.455,0.77,1.0,0.16135802892193818,0.027388458638886986,0.20450106229867726,0.1264392433692002,0.12992169830717565
EOS-3-03155,CONC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1,MYCXFOOVWALWPP-UHFFFAOYSA-N,3,1,0.35,61,681,430.403,2.469,5,0.426,0.81,1.0,0.12834966760331712,0.17512507710232336,0.387584812555685,0.32322150640805974,0.2535702659173463
EOS-3-03156,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(C)o5)nc4)n23)cc1,YFTMQDIZQHPGRN-UHFFFAOYSA-N,3,1,0.566,89,731,442.439,2.483,5,0.421,0.79,1.0,0.5294873552189706,0.18328078952779112,0.1401206223014187,0.05254094990062367,0.226357429237201
EOS-3-03157,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccnc(F)c5)n4)n23)cc1,LYCGHRFHIZUMTQ-UHFFFAOYSA-N,3,1,0.365,74,139,426.415,2.809,5,0.44,0.84,1.0,0.23332019738194779,0.17513364402714002,0.394858131725036,0.30135871427592353,0.27616767185251184
EOS-3-03158,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(C)cn5)cn4)n23)cn1,TUSUZMMEGQWFOC-UHFFFAOYSA-N,3,1,0.354,85,290,437.467,2.297,5,0.444,0.74,1.0,0.11178980193269823,0.06592248646425879,0.10569015146323076,0.051315879651840174,0.08367957987800698
EOS-3-03159,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccnc(F)c5)cn4)n23)cc1,GHTNVRCLPNTYMM-UHFFFAOYSA-N,3,1,0.398,14,357,439.454,3.338,5,0.422,0.79,1.0,0.3083407580015078,0.2311013638544308,0.5823281474881776,0.4726715098348297,0.3986104447947365
EOS-3-03160,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)ncn4)n23)cc1F,DUNXSRKTNTWSCG-UHFFFAOYSA-N,3,1,0.356,74,155,445.393,2.343,5,0.447,0.76,0.999,0.28176615722020426,0.22084675484887945,0.4309163182783908,0.3716503323966829,0.32629489068603934
EOS-3-03161,CCc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cncc(C(F)(F)F)n3)n12,FYMFRYSRTSHSCP-UHFFFAOYSA-N,3,1,0.3,63,66,454.416,3.117,5,0.493,0.71,0.988,0.19460626413542595,0.2107463504900281,0.2577702008087177,0.24462853813994928,0.22693783839353027
EOS-3-03162,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)c(Cl)c1,VJFMQUIPBIIEPN-UHFFFAOYSA-N,3,1,0.33,74,997,458.873,2.375,6,0.425,0.79,1.0,0.023756082516619835,0.18328935645260777,0.10045576040024673,0.20062024535672676,0.12703036118155028
EOS-3-03163,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(C(F)(F)F)c4)n23)nc1,RDJNWPNCNVWLMB-UHFFFAOYSA-N,3,1,0.448,68,457,432.337,3.022,4,0.486,0.75,1.0,0.8007761633883901,0.5493197861695566,0.9666061270646289,0.9104670687410047,0.806792286340895
EOS-3-03164,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccn5C)nc4)n23)cc1,WGEVPTYITARWHZ-UHFFFAOYSA-N,3,1,0.553,89,731,440.467,2.525,5,0.432,0.82,1.0,0.5318432595435543,0.15497566993352066,0.23623295181961484,0.10800322116373107,0.2577637756151052
EOS-3-03165,Cc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCCF)cn4)n23)c(OC(F)F)c1,HCFOQGHMMMLXMY-UHFFFAOYSA-N,3,1,0.34,66,999,442.401,3.462,4,0.471,0.74,0.997,0.3936587622507025,0.39998115276540336,0.6849770406414913,0.5697776026317593,0.5120986395723391
EOS-3-03166,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCNc4ccc(F)cc4)n23)c(F)c1,DLDGMQOGGRVMJJ-UHFFFAOYSA-N,3,1,0.484,48,406,436.422,3.41,5,0.432,0.88,0.999,0.6854139538071414,0.41408231101363857,0.522385374545953,0.5440596943321225,0.5414853334247138
EOS-3-03167,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cnc(F)nc5)c4)n23)cc1,IBLMQGQNQKPKAL-UHFFFAOYSA-N,3,1,0.398,14,357,426.415,2.472,5,0.428,0.81,1.0,0.28448187238708794,0.15094064834487012,0.4493095058597766,0.3456154478788294,0.307586868617641
EOS-3-03168,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nc5)nc4)n23)cn1,PNMAKGRHZFBZJA-UHFFFAOYSA-N,3,1,0.385,85,290,426.415,2.472,5,0.428,0.81,0.98,0.19199335206634227,0.162600233020355,0.34589815639777943,0.30478548420259066,0.2513193064217668
EOS-3-03169,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(C)nc5)c4)n23)cc1Cl,GEKJZUKNWPRFPX-UHFFFAOYSA-N,3,1,0.33,82,859,456.897,3.632,5,0.439,0.84,1.0,0.23887156466314852,0.2464361592762662,0.5223939414707697,0.4569940374203276,0.36617392570762797
EOS-3-03170,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cn1,XMZITYGQAFUCAS-UHFFFAOYSA-N,3,1,0.339,52,997,423.44,2.326,6,0.461,0.85,1.0,0.012721883352751696,0.02739702556370365,0.030309780001370707,0.06284696045507504,0.033318912343225274
EOS-3-03171,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)s4)n23)cc1,SDLBZDQLMSHBHD-UHFFFAOYSA-N,3,1,0.352,52,916,454.519,3.188,6,0.419,0.82,1.0,0.1366510177506682,0.05035638407237338,0.08126584881091084,0.11516517031046536,0.09585960523610446
EOS-3-03172,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)cn4)n23)c(F)c1,RUDWEBKGMQMUCU-UHFFFAOYSA-N,3,1,0.37,62,837,425.427,3.414,5,0.474,0.83,1.0,0.20570899869782744,0.29791481049962304,0.5192584469878693,0.4755671304228634,0.3746123466520458
EOS-3-03173,CNC(=O)c1ccc(-c2cncc3nnc(-c4ncncc4-c4cccc(Cl)c4)n23)cc1F,IVZFUCVPHQOMPE-UHFFFAOYSA-N,3,1,0.318,96,648,459.872,4.067,5,0.435,0.88,0.998,0.23611301487218148,0.28748886299773835,0.6931755876910424,0.7377321636625317,0.4886274073058735
EOS-3-03174,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cnc(C)cn5)cn4)n23)cc1C,HORUODQVDBEPDS-UHFFFAOYSA-N,3,1,0.375,85,674,451.494,2.606,5,0.432,0.76,1.0,0.14739394147076965,0.06593105338907546,0.1251884723459667,0.05683297923377424,0.0988366116098965
EOS-3-03175,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cn1,ZKONCJUXUXEAMP-UHFFFAOYSA-N,3,1,0.609,90,636,426.839,2.96,4,0.509,0.75,1.0,0.7188592282914125,0.6114385580152149,0.5360067850044548,0.5100661366595847,0.5940926769926667
EOS-3-03176,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1F,PDYIWXUWVJJSIT-UHFFFAOYSA-N,3,1,0.361,62,3,459.872,4.067,5,0.435,0.87,1.0,0.36382016311424853,0.3519806730176136,0.7191676375848125,0.7110633267082448,0.5365079501062299
EOS-3-03177,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cc1,ASKKGZJEPCTXHI-UHFFFAOYSA-N,3,1,0.282,25,213,432.451,3.106,6,0.418,0.85,1.0,0.05907751353574121,0.04669830717565623,0.24000239873894866,0.28924508258515524,0.15875582550887535
EOS-3-03178,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)c(F)n5)cc4)n23)cc1,CUXXSWNSVBYAFN-UHFFFAOYSA-N,3,1,0.416,62,3,445.845,3.807,5,0.45,0.79,1.0,0.2759749160441368,0.287497429922555,0.6959598382564595,0.6769155643890069,0.4840869371530395
EOS-3-03179,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cn5)cn4)n23)cc1,IZTJHZSYHPAWLM-UHFFFAOYSA-N,3,1,0.378,74,582,452.453,3.342,6,0.435,0.81,1.0,0.2682903844835858,0.2156123637858954,0.24001096566376534,0.3142176684257419,0.2595328455897471
EOS-3-03180,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(CO)c4)n23)cc1,OFPKBSIAMYHWTH-UHFFFAOYSA-N,3,1,0.378,0,862,419.872,3.496,5,0.516,0.89,1.0,0.33628606675347816,0.39024055924885204,0.569503461037626,0.665050373517922,0.4902701151394695
EOS-3-03181,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cccc(C)n4)n23)cc1F,NGAANSAQPJWYAP-UHFFFAOYSA-N,3,1,0.346,74,768,441.43,2.512,5,0.451,0.73,0.762,0.22803440477006373,0.20144267013912687,0.20450962922349394,0.17575902953875677,0.20243643341786033
EOS-3-03182,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cc1,IUQFEQOELMMTTP-UHFFFAOYSA-N,3,1,0.469,62,376,465.517,3.331,6,0.404,0.89,1.0,0.0227537523130697,0.0009166609553834555,0.03671783976423823,0.08588342128709478,0.03656791857994654
EOS-3-03183,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Oc5ccccc5)cn4)n23)nc1,MVBKHHFNMPVFAS-UHFFFAOYSA-N,3,1,0.347,14,586,437.463,3.324,5,0.434,0.79,1.0,0.3362946336782948,0.1432818175587691,0.2798557329860873,0.20379000753889384,0.2408055479405113
EOS-3-03184,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnc(F)cn5)n4)n23)cc1,RZVYWYHYXQYQFN-UHFFFAOYSA-N,3,1,0.36,52,423,452.453,3.342,6,0.435,0.78,1.0,0.18924336920019189,0.1626087999451717,0.21172297991912822,0.2657631416626688,0.20733457268179015
EOS-3-03185,NC(=O)CCc1cc(COc2cncc3nnc(-c4ccc(F)cc4)n23)c(Cl)cn1,XVEQDBFKBQNPAW-UHFFFAOYSA-N,3,1,0.608,90,636,426.839,2.976,4,0.486,0.79,1.0,0.752038928106367,0.49892913439791653,0.41626687684188884,0.48479370845041464,0.5380071619491468
EOS-3-03186,Cc1cc(C(=O)N2CCOCC2)ccc1-c1cncc2nnc(-c3cnc(C(C)F)cn3)n12,QWJSHTLFZFPKCE-UHFFFAOYSA-N,3,1,0.392,63,686,447.474,3.06,5,0.474,0.74,0.999,0.027225687067370295,0.009175176478651223,0.01822184908505243,0.03724042217805497,0.02296578370228223
EOS-3-03187,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)nn1,MYVZELUXOUWJQD-UHFFFAOYSA-N,3,1,0.317,52,582,448.49,3.511,6,0.438,0.81,1.0,0.09921355630182989,0.042988828730039064,0.1491929956822699,0.16760331711328902,0.11474967445685696
EOS-3-03188,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(O)C5)cc4)n23)nc1,XXEXLGDVOXPAHQ-UHFFFAOYSA-N,3,1,0.297,0,782,443.467,1.42,5,0.489,0.79,1.0,0.029418819820437255,0.003392502227400452,0.018230416009869098,0.023550476321019805,0.018648053594681652
EOS-3-03189,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(Cl)cn4)n23)cc1,IIYGVFQQWVQGCO-UHFFFAOYSA-N,3,1,0.36,62,139,441.882,3.928,5,0.453,0.81,1.0,0.3058306490302241,0.30286649304365704,0.5048831471455006,0.48162394626824756,0.3988010588719073
EOS-3-03190,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cn5)cn4)n23)cc1,IKZJHMFEBABZSZ-UHFFFAOYSA-N,3,1,0.398,74,837,426.415,2.809,5,0.47,0.77,1.0,0.2899904050442053,0.24644472620108285,0.4020115139469536,0.32966383387019393,0.3170276197656089
EOS-3-03191,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)nn1,RCEHIFWJHCISGW-UHFFFAOYSA-N,3,1,0.32,52,423,449.478,2.906,6,0.434,0.77,1.0,0.1017407991227469,0.022890823110136384,0.054614145706257285,0.07340141182920978,0.0631617949420876
EOS-3-03192,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(Cl)nc5)n4)n23)cc1,CCZRYFPMLYJDTP-UHFFFAOYSA-N,3,1,0.378,74,139,442.87,3.323,5,0.425,0.81,1.0,0.2029761496813104,0.2208553217736961,0.44574566513604275,0.40606366938523747,0.3189102014940717
EOS-3-03193,O=C(c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)nc1)N1CCC1,FRFYCYIRFOKREM-UHFFFAOYSA-N,3,1,0.371,63,829,470.493,1.567,6,0.441,0.84,1.0,0.0237646494414365,0.0021160304297169487,4.283462408333905e-05,0.00014563772188335277,0.006517288054280035
EOS-3-03194,O=C(c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)cc1)N1CCOCC1,ARLKBLPAWLGMTG-UHFFFAOYSA-N,3,1,0.39,52,229,464.489,2.783,6,0.399,0.87,1.0,0.02061202110890275,0.00037694469193338357,0.00789870468096772,0.02716571859365362,0.014013347268864367
EOS-3-03195,COC1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)nc2)C1,LAYAGMAXOPQCFE-UHFFFAOYSA-N,3,1,0.311,63,175,444.455,1.208,5,0.484,0.72,0.998,0.047340826536906314,0.0049431156192173255,0.005131587965184018,0.006699335206634227,0.016028716331985472
EOS-3-03196,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cc1)N1CC(F)C1,PQJREUKSIKTFDX-UHFFFAOYSA-N,3,1,0.34,52,376,451.465,3.709,6,0.414,0.87,1.0,0.24409738880131587,0.17043896922760607,0.279864299910904,0.3812195874169008,0.2689050613391817
EOS-3-03197,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)c(C)n5)nc4)n23)cc1,VQVCGBTYTVKBGS-UHFFFAOYSA-N,3,1,0.353,62,139,435.491,3.892,5,0.46,0.79,1.0,0.18621924473990817,0.08695428688917826,0.39486669864985263,0.2329946542389144,0.22525872112946335
EOS-3-03198,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)cc1C,KUCBZOREIQHRKI-UHFFFAOYSA-N,3,1,0.333,96,648,439.454,3.722,5,0.458,0.81,1.0,0.26308169419505173,0.2311099307792475,0.6823726954972243,0.5884791995065451,0.44126087999451713
EOS-3-03199,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(F)c4F)n23)cn1,RSNMJWRJHFJVSL-UHFFFAOYSA-N,3,1,0.489,90,555,456.84,3.589,5,0.446,0.81,1.0,0.6670978685491056,0.5676530052772257,0.562589952710575,0.6709958193406894,0.6170841614693989
EOS-3-03200,Cc1nn(C)c(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)cn1,ZXVNEZUZSAFCHM-UHFFFAOYSA-N,3,1,0.374,74,336,442.458,3.109,5,0.457,0.77,0.999,0.15591803166335413,0.21075491741484476,0.2614539784798849,0.192464532931259,0.2051478651223357
EOS-3-03201,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(C(F)F)nc5)no4)n23)cc1F,JXILBJWQHQYRBJ-UHFFFAOYSA-N,3,1,0.33,74,768,466.383,3.34,5,0.418,0.87,0.994,0.3593567952847646,0.3761137002261668,0.5823367144129943,0.4816325131930642,0.44985993077924746
EOS-3-03202,Cn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,DIAUNGZWUWJXDV-UHFFFAOYSA-N,3,1,0.38,62,341,453.481,3.89,6,0.436,0.84,1.0,0.17198958261942293,0.2156209307107121,0.49433726269618256,0.5266859708039202,0.3521584367075594
EOS-3-03203,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)nc4)n23)cc1,JPBUYHBNOQTWGG-UHFFFAOYSA-N,3,1,0.543,89,637,437.463,3.187,5,0.435,0.81,1.0,0.7520474950311836,0.29792337742443975,0.3420516071550956,0.21834521280241245,0.40259192310328284
EOS-3-03204,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c(F)c2)nc1,FAHHYDLNRDOACC-UHFFFAOYSA-N,3,1,0.388,13,374,442.414,2.982,5,0.439,0.77,1.0,0.6609896511548214,0.48063874991433075,0.34590672332259614,0.25944075114796794,0.43674396888492906
EOS-3-03205,CCNC(=O)c1cnc(COc2cncc3nnc(-c4ccc(Cl)c(CF)c4)n23)cn1,GAOFHQUNINIYBR-UHFFFAOYSA-N,3,1,0.472,68,12,441.854,3.033,4,0.469,0.73,0.999,0.6085857720512645,0.62533411006785,0.27987286683572066,0.25669933520663424,0.4426230210403673
EOS-3-03206,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cc4)n23)cc1,WWBPKTPOAJJPGM-UHFFFAOYSA-N,3,1,0.337,62,302,433.475,3.808,6,0.453,0.81,1.0,0.1559265985881708,0.046706874100472896,0.25777876773353436,0.3013672812007402,0.19044488040572954
EOS-3-03207,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccc(F)c(C)c4)n23)nc1,WVVSZFIIYOIAFQ-UHFFFAOYSA-N,3,1,0.324,96,523,445.483,3.784,5,0.452,0.81,1.0,0.11478822561853197,0.22086388869851278,0.36474539099444864,0.3110650400932081,0.2528656363511754
EOS-3-03208,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,AICZTIOJVQMTLX-UHFFFAOYSA-N,3,1,0.356,52,331,456.897,3.585,6,0.433,0.83,1.0,0.09679768350352957,0.22612398053594682,0.2045181961483106,0.3488794462339799,0.21907982660544173
EOS-3-03209,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(F)cc5)n4)n23)cc1,MUYKYCBTKJWFMA-UHFFFAOYSA-N,3,1,0.404,62,3,424.439,4.019,5,0.471,0.86,1.0,0.2139418134466452,0.3028750599684737,0.6770098005619902,0.6274758412720169,0.4553256288122815
EOS-3-03210,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccn5nnc(C(F)(F)F)c5c4)n23)cc1,MWDKRLKCZZEURX-UHFFFAOYSA-N,3,1,0.333,66,999,464.411,3.412,6,0.437,0.87,1.0,0.22511308340758002,0.26159104927695154,0.6135203207456651,0.5729901994380098,0.4183036632170516
EOS-3-03211,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(F)cn5)nc4)n23)cc1,VXQNPNATKRGJFZ-UHFFFAOYSA-N,3,1,0.402,85,260,467.468,2.66,6,0.404,0.83,1.0,0.24168151600301555,0.15498423685833734,0.0747549859502433,0.11029059008978137,0.1454278322253444
EOS-3-03212,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4F)n23)nc1,GZPZHIICCRMDOH-UHFFFAOYSA-N,3,1,0.364,63,505,439.401,3.141,5,0.464,0.72,0.77,0.1366595846754849,0.2668168734151189,0.42737817832910696,0.45059454458227677,0.32036229525049686
EOS-3-03213,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4c(F)ccc(Cl)c4F)n23)cc1,YNIIXTBMRITROZ-UHFFFAOYSA-N,3,1,0.679,23,378,443.841,3.704,4,0.459,0.75,1.0,0.9184343088205058,0.7623192378863684,0.8619354396545816,0.814217668425742,0.8392266636967994
EOS-3-03214,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)cc1,RMNGYFPOCYNYBO-UHFFFAOYSA-N,3,1,0.679,23,378,427.386,3.19,4,0.478,0.78,1.0,0.8972226029744363,0.6017664998971969,0.8822904530189843,0.7944537728736892,0.7939333321910768
EOS-3-03215,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5F)cn4)n23)cc1,UZOVMAOIAWZKGN-UHFFFAOYSA-N,3,1,0.394,62,3,442.429,4.158,5,0.452,0.84,1.0,0.27893907203070384,0.3229730655883764,0.8333733123158111,0.7920978685491056,0.5568458296209993
EOS-3-03216,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5F)cn4)n23)cc1,REPSISDXAAATGB-UHFFFAOYSA-N,3,1,0.385,62,3,442.429,4.158,5,0.452,0.84,1.0,0.26829895140840243,0.35198923994243025,0.844647385374546,0.8053252004660407,0.5675651942978548
EOS-3-03217,CCCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nc(C)no5)n4)n23)cc1,URDMCGIXOGEUHJ-UHFFFAOYSA-N,3,1,0.324,52,423,440.467,3.352,5,0.426,0.83,1.0,0.12835823452813377,0.03927078335960524,0.050801864162840105,0.025358097457336713,0.06094724487697896
EOS-3-03218,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)s4)n23)cc1F,BLMAHRWRVUZOBF-UHFFFAOYSA-N,3,1,0.37,96,574,449.446,3.615,5,0.45,0.81,1.0,0.2167860324857789,0.2979319443492564,0.442207525186759,0.47268007675964635,0.35740139469536014
EOS-3-03219,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCNCC5)nc4)n23)cc1,FAFILZRXPDNBDS-UHFFFAOYSA-N,3,1,0.347,52,269,466.509,1.694,6,0.425,0.8,1.0,0.02483551504351998,0.0005654170379000754,0.002647179768350353,0.004163525460900555,0.00805290932766774
EOS-3-03220,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nc1,ZWXOKKIQBCYBMV-UHFFFAOYSA-N,3,1,0.32,94,342,433.439,2.501,6,0.412,0.82,1.0,0.15321945034610376,0.08696285381399493,0.07476355287505997,0.1197570420121993,0.10867572476183948
EOS-3-03221,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)c(Cl)c1,XGDILVJWROZVEX-UHFFFAOYSA-N,3,1,0.349,74,333,445.874,2.662,5,0.452,0.76,1.0,0.20040607223631005,0.2563652251387842,0.22537865807689672,0.20961551641422796,0.22294136796655473
EOS-3-03222,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)cn1,ZGEDJNJFUJJKIS-UHFFFAOYSA-N,3,1,0.349,82,204,443.858,2.718,5,0.449,0.75,0.956,0.2470701117126996,0.2359502433006648,0.20452676307312728,0.19489753957919265,0.22061116441642106
EOS-3-03223,Cc1ccccc1COc1cncc2nnc(-c3ccc(C(=O)NCC(F)F)nc3)n12,AZBQWGBOGJILBT-UHFFFAOYSA-N,3,1,0.495,66,12,424.411,3.069,4,0.49,0.8,1.0,0.62548831471455,0.3948495648002193,0.5790898499074772,0.43507127681447466,0.5086247515591803
EOS-3-03224,Cn1nncc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,CWBKPQBVYJUUTF-UHFFFAOYSA-N,3,1,0.32,52,423,437.467,2.541,6,0.449,0.78,1.0,0.08693715303954493,0.020663422657802754,0.05462271263107395,0.07726509492152697,0.059872095812487154
EOS-3-03225,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)c4)n23)cc1,XRHROKTWVBMNHH-UHFFFAOYSA-N,3,1,0.517,89,656,438.451,2.582,5,0.43,0.79,1.0,0.6116013295867315,0.18765848810910835,0.42390000685353985,0.26577170858748544,0.37223288328421633
EOS-3-03226,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)nc4)n23)cc1,XJNYTVUTAYIOAW-UHFFFAOYSA-N,3,1,0.5,89,863,439.439,1.977,5,0.421,0.79,1.0,0.6546758275649373,0.2514735110684669,0.15225995476663698,0.07137105064765951,0.28244508601192514
EOS-3-03227,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1,BQHBELNKBFIVBK-UHFFFAOYSA-N,3,1,0.298,39,176,437.402,2.63,6,0.441,0.77,0.572,0.21679459941059556,0.2615996162017682,0.15832533753683778,0.2594493180727846,0.22404221780549652
EOS-3-03228,CC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,MGVWDWRASHXCDX-UHFFFAOYSA-N,3,1,0.299,0,782,467.533,3.37,6,0.483,0.79,1.0,0.08046055787814406,0.018701596874785828,0.008729696388184497,0.02717428551847029,0.03376653416489617
EOS-3-03229,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccn5)n4)n23)cc1C,PPHFYMXXMXIRSM-UHFFFAOYSA-N,3,1,0.305,29,849,423.44,2.373,5,0.467,0.8,1.0,0.1446096909053526,0.02740559248852032,0.08623466520457816,0.048745802206839835,0.07674893770132273
EOS-3-03230,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nc1,RITWCRUGMDHUNM-UHFFFAOYSA-N,3,1,0.409,33,806,440.826,2.398,5,0.454,0.75,0.983,0.4314474676170242,0.33224247824001096,0.07902131450894387,0.1518487423754369,0.248640000685354
EOS-3-03231,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccc5C)cn4)n23)cc1,SXTAXPXOZCISIT-UHFFFAOYSA-N,3,1,0.341,62,139,421.464,3.583,5,0.476,0.85,1.0,0.12836680145295046,0.06593962031389212,0.38759337948050165,0.2657802755123021,0.21192001918991157
EOS-3-03232,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nccc(C)n5)cc4)n23)cc1,PELSKQPZZXGTHO-UHFFFAOYSA-N,3,1,0.341,62,3,421.464,3.583,5,0.476,0.85,1.0,0.23612158179699816,0.06180179562744157,0.4056867246933041,0.2743557672537866,0.24449146734288263
EOS-3-03233,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncncc4-c4ccccc4)n23)cn1,OMMLVOOQCLGSMC-UHFFFAOYSA-N,3,1,0.323,82,204,434.463,3.203,6,0.452,0.79,0.978,0.17760948529915702,0.06181036255225824,0.08383592625591117,0.1543502844219039,0.11940151463230758
EOS-3-03234,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cc1,CMRFSBMPXLVRIC-UHFFFAOYSA-N,3,1,0.33,62,302,434.463,3.203,6,0.452,0.79,1.0,0.1807021451579741,0.03631519429785484,0.1004643273250634,0.17877458707422383,0.12406406346377905
EOS-3-03235,Cn1cc(-c2ccc(C#N)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,VOHKWNBBKDXMMU-UHFFFAOYSA-N,3,1,0.33,52,341,460.501,3.623,6,0.429,0.87,1.0,0.1283753683777671,0.09934206017407991,0.4670430402302789,0.4694417791789459,0.29105056199026796
EOS-3-03236,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1C,XGUPASBOTNOKBB-UHFFFAOYSA-N,3,1,0.558,90,636,422.876,3.129,4,0.48,0.81,1.0,0.5973459666917963,0.45423548762936056,0.43092488520320743,0.320171681173326,0.45066950517442256
EOS-3-03237,CCn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(C(=O)O)cc3)n12,YMRIRZHVHVKKSK-UHFFFAOYSA-N,3,1,0.412,61,316,429.415,3.574,5,0.455,0.84,1.0,0.17472243163593995,0.16261736686998834,0.197544719347543,0.21281954629566172,0.18692601603728326
EOS-3-03238,Cn1nnc(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(C(=O)NCC4CC4)cc3)n12,FCVXANQKXNZSIO-UHFFFAOYSA-N,3,1,0.336,62,302,450.506,3.394,6,0.425,0.87,1.0,0.052241107532040296,0.02741415941333699,0.03535569871838805,0.09552121170584607,0.052633044342402846
EOS-3-03239,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(F)c4)n23)cc1,GOHZYBMYTYPJRL-UHFFFAOYSA-N,3,1,0.427,0,678,420.423,3.574,5,0.498,0.88,1.0,0.3892382290453019,0.35697519018573093,0.5360153519292715,0.5760657254471935,0.4645736241518745
EOS-3-03240,CCc1ncc(Oc2cncc3nnc(-c4ccc(C(=O)NC5COC5)cc4)n23)cc1F,KBEYWTPPHXXYIU-UHFFFAOYSA-N,3,1,0.439,63,536,434.431,2.809,5,0.498,0.81,1.0,0.617212665341649,0.4186913165650058,0.3420601740799123,0.2503940785415667,0.40708955863203344
EOS-3-03241,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1,XQPZGPHNCSANNK-UHFFFAOYSA-N,3,1,0.33,62,997,439.414,2.431,5,0.417,0.81,1.0,0.04906277842505654,0.19192481666780892,0.43093345212802414,0.41275443766705505,0.2711688712219862
EOS-3-03242,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnn(C(F)F)c5)c4)n23)cc1,PPFOGDMQSAUTSL-UHFFFAOYSA-N,3,1,0.333,74,333,446.421,3.472,5,0.444,0.79,1.0,0.1946148310602426,0.154992803783154,0.6931841546158591,0.5304982523473374,0.3933225104516483
EOS-3-03243,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccccn5)n4)n23)cc1,SWVHLPNLEIOPFK-UHFFFAOYSA-N,3,1,0.359,62,423,451.465,3.947,6,0.435,0.85,1.0,0.16136659584675486,0.21076348433966144,0.28741176067438834,0.36843773559043247,0.2569948941128093
EOS-3-03244,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc[nH]n5)cc4)n23)cc1,MKALYLNXAZPHMF-UHFFFAOYSA-N,3,1,0.363,62,916,435.491,3.664,6,0.424,0.9,1.0,0.2057175656226441,0.09935062709889658,0.29829175519155643,0.33932732506339525,0.2356718182441231
EOS-3-03245,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nncc(C)n5)cc4)n23)cc1,QWVBKVFCNBYDOH-UHFFFAOYSA-N,3,1,0.53,89,637,452.478,2.89,5,0.418,0.83,1.0,0.5370519498320883,0.20588890411897745,0.29090706599958877,0.15714310191213762,0.29774775546569804
EOS-3-03246,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccnc(F)c5)n4)n23)cc1,KDKAFJKJLIMDBC-UHFFFAOYSA-N,3,1,0.34,52,582,452.453,3.342,6,0.407,0.87,1.0,0.22216606127064628,0.16262593379480503,0.2362415187444315,0.2892536495099719,0.22757179082996368
EOS-3-03247,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4OC)n23)cc1,CVMRWKDBALTCFZ-UHFFFAOYSA-N,3,1,0.375,61,269,440.467,2.622,5,0.447,0.78,1.0,0.23613014872181481,0.06940065793982592,0.26870159687478584,0.12644781029401686,0.17517005345761086
EOS-3-03248,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cccnc4F)n23)cc1,QTSYMFVBTNGEMS-UHFFFAOYSA-N,3,1,0.341,74,582,452.453,3.342,6,0.407,0.86,1.0,0.21395038037146186,0.18766705503392503,0.1840518127612912,0.25945788499760125,0.21128178329106984
EOS-3-03249,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)cn1,FWJPUIXDMBWWIJ-UHFFFAOYSA-N,3,1,0.371,82,204,426.415,2.809,5,0.44,0.84,0.969,0.25483174559660066,0.23595881022548146,0.35734356795284766,0.29521622918237267,0.2858375882393256
EOS-3-03250,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)cn1,ZQKOQEIAJLFBKI-UHFFFAOYSA-N,3,1,0.375,14,357,422.452,2.641,5,0.461,0.8,1.0,0.1253769446919334,0.03015557535467069,0.257787334658351,0.15979028168048798,0.1432775340963608
EOS-3-03251,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)c(F)c5F)cn4)n23)cc1,JLXFQEMFZNLDCH-UHFFFAOYSA-N,3,1,0.456,96,837,447.38,3.432,5,0.423,0.81,1.0,0.24979439380439997,0.36644164210814884,0.8573778356521143,0.8240610650400932,0.574418734151189
EOS-3-03252,Cc1nc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,PLFHOHZRZYDZKM-UHFFFAOYSA-N,3,1,0.308,52,295,449.478,2.906,6,0.434,0.82,1.0,0.1283839353025838,0.022899390034953053,0.09311390583236241,0.10383112877801384,0.08705708998697828
EOS-3-03253,Cc1ccc(-c2cc(-c3nnc4cncc(CNc5ccc(F)cc5)n34)nc(C)n2)cn1,NIBNZQAVKBRPFI-UHFFFAOYSA-N,3,1,0.333,44,500,426.459,4.011,5,0.454,0.86,1.0,0.06820985539030909,0.0659481872387088,0.4090192584469879,0.34888801315879653,0.22301632855870057
EOS-3-03254,CC#Cc1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5COC5)cc4)n23)cn1,BVPMSELBHAOKFO-UHFFFAOYSA-N,3,1,0.6,63,536,440.463,2.265,5,0.459,0.82,1.0,0.41538448358577207,0.09935919402371325,0.41988211911452267,0.2504026454663834,0.29625711054759785
EOS-3-03255,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5F)ns4)n23)cc1,MVBMWRGWWTXFMQ-UHFFFAOYSA-N,3,1,0.38,62,837,431.456,3.476,5,0.468,0.8,1.0,0.14190254266328559,0.28750599684737166,0.2648978822561853,0.27140874511685287,0.24142879172092388
EOS-3-03256,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5nnn(C)n5)c4)n23)cc1,YKCCGISPOVJCPB-UHFFFAOYSA-N,3,1,0.406,61,740,425.456,1.932,5,0.457,0.77,1.0,0.20041463916112673,0.09936776094852992,0.11971420738811596,0.07137961757247618,0.12271905626756219
EOS-3-03257,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cnccn5)cnc4F)n23)cc1,RLFBDDODGKIAMM-UHFFFAOYSA-N,3,1,0.356,74,738,452.453,3.342,6,0.407,0.85,0.999,0.21958741690082928,0.18329792337742443,0.3127098896580084,0.3620725104516483,0.2694169350969776
EOS-3-03258,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)cc1,RGMZQBXNNSNORA-UHFFFAOYSA-N,3,1,0.517,89,731,438.451,2.582,5,0.43,0.78,1.0,0.5062624220409842,0.24143307518333218,0.2220032896991296,0.1220701117126996,0.2729422246590364
EOS-3-03259,NC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(F)cc5)c4F)n23)cc1,HXEKYJOECPFYHO-UHFFFAOYSA-N,3,1,0.419,62,3,429.39,3.292,5,0.469,0.77,1.0,0.2683075183332191,0.33705708998697825,0.7112689329038449,0.7216006442327462,0.5095585463641971
EOS-3-03260,CS(=O)(=O)c1ccc(COc2cncc3nnc(COc4ccc(F)cn4)n23)cc1,YSADPMJODBOAIZ-UHFFFAOYSA-N,3,1,0.398,90,636,429.433,2.22,4,0.44,0.82,1.0,0.18622781166472482,0.09937632787334659,0.4309420190528408,0.342428551847029,0.2647436776094853
EOS-3-03261,Cn1nnnc1-c1cc(Cl)cc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c1,JGTIBFDXKPHQQG-UHFFFAOYSA-N,3,1,0.317,50,917,432.835,1.796,5,0.452,0.74,0.998,0.10174936604756357,0.1919333835926256,0.10569871838804742,0.14920156260708656,0.1371457576588308
EOS-3-03262,CCNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cc4)n23)cc1,CTQYILCCEMFQRY-UHFFFAOYSA-N,3,1,0.524,62,451,439.479,3.734,5,0.433,0.86,1.0,0.4986978274278665,0.23596737715029814,0.33853060105544514,0.19771605784387636,0.3177279658693715
EOS-3-03263,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(F)c5)cn4)n23)cc1,XCORBOJZVRPEPS-UHFFFAOYSA-N,3,1,0.395,74,139,426.415,2.809,5,0.44,0.83,1.0,0.22512165033239667,0.2107720512644781,0.4598639572339113,0.36529367418271536,0.31526283325337534
EOS-3-03264,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5nccs5)cc4F)n23)cc1,MOILKIWSRCQMJA-UHFFFAOYSA-N,3,1,0.432,14,319,448.458,3.883,5,0.44,0.82,1.0,0.2548403125214173,0.2875145637721883,0.7218576519772463,0.6710043862655062,0.48380422863408956
EOS-3-03265,NC(=O)c1ccc(-c2nnc3cncc(Cc4cn(Cc5ccc(F)cc5)nn4)n23)cc1,XTRNRTAIKNSYHM-UHFFFAOYSA-N,3,1,0.424,14,740,428.431,2.26,5,0.443,0.79,1.0,0.09680625042834624,0.18767562195874168,0.2945480090466726,0.2952247961071894,0.21856366938523747
EOS-3-03266,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4nncn4C)cn3)n12,DQOKPUIRGSIXMB-UHFFFAOYSA-N,3,1,0.287,52,295,451.494,2.849,6,0.437,0.8,1.0,0.09922212322664656,0.046715441025289565,0.0622215749434583,0.07537180453704338,0.07088273593310945
EOS-3-03267,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cc(F)ccn5)c4)n23)cc1,IOQOUVGVKBZLMJ-UHFFFAOYSA-N,3,1,0.38,62,139,425.427,3.414,5,0.474,0.79,1.0,0.2524415735727503,0.1964824206702762,0.5885648687547118,0.5036066753478171,0.3852738845863889
EOS-3-03268,O=C(NC1COC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4F)n23)cc1,QGKQLJPDOLBDFX-UHFFFAOYSA-N,3,1,0.362,61,269,457.429,1.906,6,0.409,0.86,1.0,0.3617126996093482,0.2616081831265849,0.34206874100472895,0.32641696936467685,0.3229516482763347
EOS-3-03269,CC1(NC(=O)c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2)CC1,XFPUDDLCPCCUNP-UHFFFAOYSA-N,3,1,0.421,63,108,435.875,3.096,5,0.495,0.76,0.999,0.3892467959701186,0.3322510451648276,0.07902988143376054,0.15979884860530463,0.24008164279350286
EOS-3-03270,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,OCJNZSYFOSNMAD-UHFFFAOYSA-N,3,1,0.264,52,523,451.494,3.024,6,0.422,0.83,1.0,0.06085943389760812,0.06181892947707491,0.03149201562607087,0.05008224247824001,0.051063155369748474
EOS-3-03271,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)cn4)n23)cc1C,ALUZXLCEHXRKSA-UHFFFAOYSA-N,3,1,0.337,74,802,439.454,3.722,5,0.458,0.83,1.0,0.24707867863751629,0.19649098759509287,0.5982112260982798,0.5068878075526009,0.38716717497087244
EOS-3-03272,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)nc(C)n4)n23)cc1F,GFPUNXGVUHKERD-UHFFFAOYSA-N,3,1,0.343,74,768,441.43,2.512,5,0.451,0.77,1.0,0.22217462819546296,0.20145123706394352,0.3089661435131245,0.22715201151394696,0.2399360050716195
EOS-3-03273,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(C)n4-c4ccccc4)n23)cc1F,QXJTXHFZFLLZQL-UHFFFAOYSA-N,3,1,0.333,61,124,428.431,2.846,5,0.472,0.76,1.0,0.04734939346172298,0.1509492152696868,0.20104859159756014,0.21282811322047837,0.15304382838736208
EOS-3-03274,Cc1noc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)n1,WVYCDBKSXZQTRF-UHFFFAOYSA-N,3,1,0.305,33,432,457.429,2.638,6,0.422,0.81,1.0,0.21144883832499486,0.1833064903022411,0.048848605304639844,0.07727366184634364,0.13021939894455486
EOS-3-03275,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccnc4-c4cccnc4)n23)cc1,HPRWITRISPQNCZ-UHFFFAOYSA-N,3,1,0.477,89,656,437.463,3.187,5,0.435,0.82,1.0,0.5660681241861422,0.24645329312589953,0.39859331094510314,0.2594664519224179,0.3676452950448907
EOS-3-03276,NC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)cc(Cl)cc4Cl)n23)cn1,SOPCFDVJPSPSNB-UHFFFAOYSA-N,3,1,0.506,90,555,433.23,3.31,4,0.518,0.72,1.0,0.7218919196765129,0.6395723391131519,0.7397453909944486,0.7783650880679871,0.7198936844630252
EOS-3-03277,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnn(C)n5)c4)n23)cc1,GQZIXLXZBPRZKR-UHFFFAOYSA-N,3,1,0.433,62,740,458.913,3.191,5,0.434,0.8,0.998,0.25747035844013433,0.29292886025632237,0.4348913713933247,0.37165889932149954,0.33923737235282025
EOS-3-03278,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)nc1,JYPRAHVLRIQHEZ-UHFFFAOYSA-N,3,1,0.327,33,647,449.478,2.521,6,0.419,0.78,0.891,0.05058769104242341,0.0332653690631211,0.08384449318072784,0.10383969570283051,0.06788431224727572
EOS-3-03279,Cc1cc(OC(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,ZTCRVTUSOAXZLP-UHFFFAOYSA-N,3,1,0.439,0,862,435.434,4.26,5,0.489,0.86,1.0,0.6399749845795353,0.572236310054143,0.732206497155781,0.7216092111575629,0.6665067507367556
EOS-3-03280,CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5nncn5C)c4)n23)cc1,DUGLHDXYANYKKB-UHFFFAOYSA-N,3,1,0.311,74,295,439.483,2.789,5,0.432,0.81,1.0,0.117521074635049,0.006510862860667535,0.07257898704680968,0.04215783702282229,0.05969219039133712
EOS-3-03281,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cscn5)cn4)n23)cc1,PXYVSEVGPJIDON-UHFFFAOYSA-N,3,1,0.402,14,886,441.52,3.455,5,0.433,0.81,1.0,0.15593516551298744,0.08368172160921115,0.21484990747721197,0.13728497018710165,0.14793794119662804
EOS-3-03282,CCc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc(COC)n1,NGWCVSHZYIEOGM-UHFFFAOYSA-N,3,1,0.295,63,66,430.472,2.244,5,0.474,0.78,0.995,0.1586680145295045,0.06940922486464259,0.008301350147351106,0.006707902131450894,0.060771622918237275
EOS-3-03283,Cn1cc(-c2cnc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,KHSKKIVYDPZMHO-UHFFFAOYSA-N,3,1,0.333,52,582,454.469,3.285,6,0.409,0.83,1.0,0.14191110958810224,0.16648104996230553,0.3459152902474128,0.3585001028030978,0.2532018881502296
EOS-3-03284,CCc1cnc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(OC)C5)cc4)n23)cn1,PIVWHVQQGZIBJW-UHFFFAOYSA-N,3,1,0.318,63,825,429.484,2.672,5,0.481,0.81,1.0,0.03443903776300459,0.0037437461448838324,0.010074703584401344,0.02439860187786992,0.018164022342539922
EOS-3-03285,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)o5)c4)n23)nc1,OFRQVPDROJJXFR-UHFFFAOYSA-N,3,1,0.406,89,348,442.439,2.483,5,0.421,0.81,1.0,0.35936536220958126,0.10276026317593037,0.13082550887533412,0.05978000137070797,0.16318278390788843
EOS-3-03286,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccnc(C)c5)cs4)n23)cc1,HGXJHUAOHMFCLF-UHFFFAOYSA-N,3,1,0.346,62,139,427.493,3.645,5,0.47,0.81,1.0,0.17761805222397367,0.1059728599821808,0.240019532588582,0.14677712288396957,0.16759689191967653
EOS-3-03287,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,NAZYLIXPCFCHQX-UHFFFAOYSA-N,3,1,0.362,25,791,432.451,3.106,6,0.418,0.83,1.0,0.1117983688575149,0.10598142690699747,0.13374683023781783,0.22122369954081283,0.14318758138578574
EOS-3-03288,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cn(C)c(C)n5)c4)n23)cc1,LZOWSFCHMSADJL-UHFFFAOYSA-N,3,1,0.316,74,738,438.495,3.312,5,0.452,0.77,1.0,0.15063223905147008,0.06182749640189158,0.23284901651703105,0.117495373860599,0.14070103145774793
EOS-3-03289,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)nc1)N1CCOCC1,IVNWMYONZSTVFT-UHFFFAOYSA-N,3,1,0.361,52,821,465.477,2.178,6,0.393,0.86,1.0,0.024844081968336647,0.0002741415941333699,0.003495305325200466,0.007573161537934343,0.009046672606401207
EOS-3-03290,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)c(C)n5)cn4)n23)cc1,HNXVVGIJWALKQX-UHFFFAOYSA-N,3,1,0.337,74,139,424.468,2.922,5,0.476,0.78,1.0,0.15322801727092042,0.090004112123912,0.24002809951339868,0.11976560893701597,0.15075645946131175
EOS-3-03291,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnc5)ccc4Cl)n23)cn1,NEPVAOZATJBSCC-UHFFFAOYSA-N,3,1,0.435,82,290,442.87,2.986,5,0.443,0.75,0.996,0.1446182578301693,0.23111849770406415,0.4531303543280104,0.47557569734768007,0.326110701802481
EOS-3-03292,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)cc1,NRRAQWLYVMHYGZ-UHFFFAOYSA-N,3,1,0.365,29,849,443.858,2.718,5,0.42,0.77,1.0,0.25484887944623397,0.24646186005071619,0.21833664587759577,0.20062881228154342,0.23006904941402234
EOS-3-03293,CN(C)Cc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc(C(F)F)n1,UEDNSTQDVIMWMR-UHFFFAOYSA-N,3,1,0.273,63,108,465.468,2.535,5,0.443,0.79,0.78,0.15867658145432115,0.12195017476526626,0.0582293879788911,0.04216640394763896,0.09525563703652937
EOS-3-03294,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(=O)n(C)c2)cn1,AFDNNNSYGJMRCJ-UHFFFAOYSA-N,3,1,0.306,52,295,466.505,2.45,6,0.426,0.87,1.0,0.05380885477349051,0.030164142279487355,0.1550784730313207,0.15715166883695428,0.0990507847303132
EOS-3-03295,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)cc1,BZRNCSUDLBDVKA-UHFFFAOYSA-N,3,1,0.341,62,124,423.48,3.701,5,0.466,0.84,1.0,0.21395894729627854,0.058015214858474405,0.44575423206085946,0.31107360701802483,0.2572005003084093
EOS-3-03296,Cc1ccc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nn1,QAXWEJZPECMKSD-UHFFFAOYSA-N,3,1,0.43,63,108,416.445,1.798,5,0.484,0.86,0.998,0.289998971969022,0.07319580563360976,0.012781851826468371,0.012344938660818313,0.09708039202247962
EOS-3-03297,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)cc4F)n23)cn1,ZPEBCAIROOOAEJ-UHFFFAOYSA-N,3,1,0.337,82,336,441.43,2.512,5,0.451,0.74,1.0,0.2735076416969365,0.24647042697553287,0.24003666643821533,0.18968884929065863,0.23742589610033582
EOS-3-03298,Cc1cc(-c2nnc3cncc(Cn4ccnc4-c4ccc(F)cc4)n23)ccc1C(N)=O,KWDDVSJMPIVDAQ-UHFFFAOYSA-N,3,1,0.412,14,358,427.443,3.25,5,0.464,0.8,1.0,0.3262027962442602,0.26682544033993555,0.4457627989856761,0.42225515728873964,0.36526154821465284
EOS-3-03299,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(C)no5)cn4)n23)cc1,HMNMKAKHPLYCJS-UHFFFAOYSA-N,3,1,0.394,14,357,425.452,3.1,5,0.46,0.79,1.0,0.1640737440888219,0.10276883010074704,0.28372798300322116,0.1543588513467206,0.17623235213487767
EOS-3-03300,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1,VJUJOTUERXDKFP-UHFFFAOYSA-N,3,1,0.308,52,336,451.494,3.024,6,0.422,0.81,1.0,0.08954149818381194,0.05802378178329107,0.02588067987115345,0.04217497087245562,0.053905232677678015
EOS-3-03301,CCOc1nc(C(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,ATGRXHBOKAAXAD-UHFFFAOYSA-N,3,1,0.376,0,862,450.449,4.082,5,0.456,0.88,1.0,0.40641491330272084,0.24647899390034952,0.42738674525392367,0.35850866972791445,0.35969733054622716
EOS-3-03302,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccn(C)n5)nc4)n23)cc1,QJRKFAMIFPIIQV-UHFFFAOYSA-N,3,1,0.56,89,398,440.467,2.525,5,0.432,0.79,1.0,0.43603077239394145,0.15500137070797065,0.2798814337605373,0.1305942019052841,0.2503769446919334
EOS-3-03303,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cc1,XQBVCHDMHDQMOQ-UHFFFAOYSA-N,3,1,0.369,62,139,425.427,3.414,5,0.443,0.84,1.0,0.27351620862175313,0.2058974710437941,0.6310139812213008,0.5266945377287369,0.4092805496538962
EOS-3-03304,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)n4)n23)cn1,YFOCBYGAISMERV-UHFFFAOYSA-N,3,1,0.348,82,204,426.415,2.809,5,0.44,0.81,0.996,0.1946233979850593,0.19194195051744226,0.3237954903707765,0.27436433417860323,0.24618129326297034
EOS-3-03305,CCn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,IPZDQUXHHXQLTH-UHFFFAOYSA-N,3,1,0.415,61,316,428.431,2.975,5,0.46,0.8,1.0,0.19200191899115893,0.3276591734630937,0.14012918922623535,0.16761188403810567,0.2068505414296484
EOS-3-03306,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)ccn5)ccc4F)n23)cc1,VKLOCAWJLGCXGW-UHFFFAOYSA-N,3,1,0.419,96,140,429.39,3.292,5,0.469,0.78,1.0,0.24980296072921665,0.26683400726475226,0.6282554314303338,0.6158762250702488,0.4401921561236378
EOS-3-03307,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5Cl)no4)n23)cc1,NRFFXVPKANYZCZ-UHFFFAOYSA-N,3,1,0.424,96,837,452.261,3.914,5,0.438,0.85,1.0,0.27894763895552055,0.38085120964978414,0.5014221095195669,0.6067096155164142,0.44198264341032145
EOS-3-03308,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4F)n23)cc1,RAVTVYZRGRUTFV-UHFFFAOYSA-N,3,1,0.512,90,555,444.829,3.447,4,0.458,0.78,1.0,0.8244380097320266,0.5828678637516277,0.742443972311699,0.6450980056199027,0.698711962853814
EOS-3-03309,Cc1cnc(-c2ncn(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,HANKGPHTOXRFNI-UHFFFAOYSA-N,3,1,0.347,52,295,452.482,2.089,6,0.415,0.86,1.0,0.10921115756288123,0.05803234870810774,0.013929819751901858,0.01666266876841889,0.049458998697827425
EOS-3-03310,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnn(C)c5)cn4)n23)cc1,OHYHCOUCHDBWRD-UHFFFAOYSA-N,3,1,0.471,89,943,441.455,1.92,5,0.424,0.8,1.0,0.3958090603796861,0.18331505722705776,0.1806678774587074,0.07138818449729285,0.20779504489068604
EOS-3-03311,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncnn5C)cc4)n23)nc1,JQWXTGKMZZMBGP-UHFFFAOYSA-N,3,1,0.429,89,760,441.455,1.92,5,0.424,0.8,0.999,0.38925536289493523,0.12897505311493387,0.1337553971626345,0.06127921321362484,0.1783162565965321
EOS-3-03312,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,QSPNIYYAWJWNSB-UHFFFAOYSA-N,3,1,0.441,89,408,439.439,1.977,5,0.421,0.79,1.0,0.4687392913439792,0.21078061818929478,0.2010571585223768,0.10585292303474744,0.24660749777259958
EOS-3-03313,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnn5)nc4)n23)cc1,FEIMNYMTCNSAEV-UHFFFAOYSA-N,3,1,0.523,89,707,439.439,1.977,5,0.421,0.79,1.0,0.5660766911109588,0.16263450071962168,0.23625008566924816,0.12439174833801658,0.2723382564594613
EOS-3-03314,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)cn5)cc4F)n23)cn1,CUCYJGVFXHFZPO-UHFFFAOYSA-N,3,1,0.34,96,204,439.454,3.722,5,0.458,0.8,1.0,0.2759834829689535,0.26161675005140156,0.5224025083955863,0.44119662805839216,0.3752998423685834
EOS-3-03315,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ccncc5)n4)n23)cn1,IHTVDBDYCWGGCJ-UHFFFAOYSA-N,3,1,0.378,14,290,422.452,2.594,5,0.463,0.79,1.0,0.08461551641422795,0.058040915632924406,0.16787745870742238,0.11750394078541566,0.10700945788499759
EOS-3-03316,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccnc5C)c4)n23)cc1,LLXSXBRPZMPZDN-UHFFFAOYSA-N,3,1,0.326,62,139,421.464,3.583,5,0.476,0.85,1.0,0.17762661914879035,0.04672400795010623,0.49115036666438217,0.3521520115139469,0.26691325131930643
EOS-3-03317,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)cn5)cn4)n23)cc1,JCWLLPSETHCNHH-UHFFFAOYSA-N,3,1,0.354,62,139,421.464,3.583,5,0.476,0.85,1.0,0.1532365841957371,0.06183606332670825,0.43095058597765745,0.29523336303200604,0.23531414913302723
EOS-3-03318,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cn(-c4cncnc4)nn3)n12,FBMLSSBYEYEQLP-UHFFFAOYSA-N,3,1,0.3,74,295,454.454,1.73,6,0.406,0.82,1.0,0.04907134534987321,0.058049482557741075,0.048857172229456514,0.048754369131656504,0.05118309231718183
EOS-3-03319,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnn5)ncn4)n23)cc1F,PHYNJLKQDSMUIQ-UHFFFAOYSA-N,3,1,0.364,85,60,442.418,1.523,5,0.429,0.73,1.0,0.24708724556233294,0.2059060379686108,0.19056267562195875,0.15185730930025357,0.198853317113289
EOS-3-03320,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)nn5)nc4)n23)cc1F,RNDYQRFUFOTCSB-UHFFFAOYSA-N,3,1,0.38,85,740,445.393,2.006,5,0.434,0.71,0.86,0.27599204989377013,0.21562949763552874,0.30897471043794117,0.30137584812555684,0.27549302652319924
EOS-3-03321,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ccncc5)c(Cl)c4)n23)cc1,LJCMDZHCVHDUSI-UHFFFAOYSA-N,3,1,0.436,14,357,441.882,3.591,5,0.446,0.79,1.0,0.20298471660612707,0.18332362415187445,0.5625985196353916,0.5470067164690563,0.3739783942156124
EOS-3-03322,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-n5cc(C)cn5)c(F)cn4)n23)cc1,IECAKQRIQCELPN-UHFFFAOYSA-N,3,1,0.35,74,333,428.431,2.846,5,0.472,0.75,1.0,0.06430333767390857,0.11859194023713247,0.38760194640531836,0.28617812350078814,0.2141688369542869
EOS-3-03323,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)nn1,RPUCXDOAOMDYPO-UHFFFAOYSA-N,3,1,0.316,74,295,450.466,2.301,6,0.427,0.79,0.999,0.0919488040572956,0.018710163799602494,0.028159481872387086,0.03616955657597149,0.043747001576314164
EOS-3-03324,Cc1cc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)ncn1,DDNVOCVAWYRQQX-UHFFFAOYSA-N,3,1,0.378,85,357,423.44,2.036,5,0.453,0.78,1.0,0.12839250222740045,0.058058049482557744,0.14294770749091906,0.08247378521006099,0.10296801110273457
EOS-3-03325,CCNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cn4)n23)cc1,HGSSCDPDHIPUME-UHFFFAOYSA-N,3,1,0.394,89,310,440.467,3.129,5,0.432,0.84,1.0,0.445248783496676,0.19649955451990953,0.19755328627235968,0.08589198821191145,0.23129840312521419
EOS-3-03326,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(F)c5)cn4)n23)nc1,BKKWCIDYHQRMHW-UHFFFAOYSA-N,3,1,0.361,96,586,441.426,3.539,5,0.445,0.8,1.0,0.5549739565485573,0.48475944075114796,0.5014306764443835,0.4350798437392913,0.49406097937084503
EOS-3-03327,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5nccnn5)ccc4OC)n23)cc1,KTGXMKGHQYYYBY-UHFFFAOYSA-N,3,1,0.398,62,740,452.478,2.602,5,0.417,0.8,1.0,0.3409893084778288,0.12195874169008293,0.30177849359194026,0.14921012953190324,0.22848416832293883
EOS-3-03328,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncnc5)c4)n23)cn1,JTUKOVBPRQRZBH-UHFFFAOYSA-N,3,1,0.364,85,290,423.44,1.989,5,0.455,0.79,1.0,0.13666815160030155,0.06941779178945925,0.15833390446165443,0.09744020286477965,0.11546501267904873
EOS-3-03329,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccn5C)cc4)n23)cc1,PEJDHBMMHXDITF-UHFFFAOYSA-N,3,1,0.55,89,637,439.479,3.13,5,0.436,0.84,1.0,0.5525666506750737,0.20591460489342744,0.4239085737783565,0.25041121239120007,0.3582002604345145
EOS-3-03330,CCc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3nc(C(F)F)nn3C)n12,HBJORRGFFFYYLI-UHFFFAOYSA-N,3,1,0.282,63,66,439.43,2.374,5,0.49,0.72,0.088,0.09442464532931259,0.1397950791583853,0.006133918168734151,0.006716469056267562,0.0617675279281749
EOS-3-03331,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nc(C)ns5)cc4)n23)cc1C,CAGQZHFIXBTOPK-UHFFFAOYSA-N,3,1,0.392,62,319,455.547,3.877,5,0.432,0.85,1.0,0.12538551161675004,0.09001267904872867,0.20817627304502775,0.11977417586183263,0.13583715989308476
EOS-3-03332,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)cn1,IFLPJWLPZRFEOL-UHFFFAOYSA-N,3,1,0.298,50,974,425.416,1.116,6,0.438,0.85,1.0,0.015086354602152012,0.018718730724419163,0.005140154890000685,0.006142485093550819,0.011271931327530668
EOS-3-03333,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)cc1,YSQVRZITTDKZHU-UHFFFAOYSA-N,3,1,0.444,52,229,468.481,1.516,6,0.385,0.89,1.0,0.02377321636625317,0.002407305873483654,0.0023473373997669796,0.0041720923857172226,0.008174988006305258
EOS-3-03334,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,PAAQPIGIHFMMRJ-UHFFFAOYSA-N,3,1,0.744,90,636,452.877,3.493,5,0.461,0.79,1.0,0.7368754711808649,0.4847680076759646,0.3647539579192653,0.48756082516619836,0.5184895654855733
EOS-3-03335,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(F)c(CCCO)n4)n23)cc1,RRLGHTVRCHLWRI-UHFFFAOYSA-N,3,1,0.365,63,437,433.447,2.204,5,0.459,0.82,0.983,0.2361387156466315,0.14329038448358578,0.03274278664930436,0.07340997875402645,0.12139546638338701
EOS-3-03336,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnn5)nc4)n23)cc1,BINHZAXRAPLNLO-UHFFFAOYSA-N,3,1,0.393,62,886,436.479,2.788,5,0.436,0.79,1.0,0.21680316633541225,0.05036495099719005,0.2117315468439449,0.1372935371119183,0.1540483003221164
EOS-3-03337,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cnccn5)ncc4Cl)n23)cc1,MBOZXTVERKMMLZ-UHFFFAOYSA-N,3,1,0.408,74,357,456.897,3.247,5,0.432,0.77,1.0,0.23332876430676444,0.24144164210814886,0.4273953121787403,0.37166746624631625,0.31845829620999244
EOS-3-03338,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)n5)cn4)n23)cc1F,IBWVJYAFZDRKPK-UHFFFAOYSA-N,3,1,0.369,74,155,444.405,2.948,5,0.424,0.79,1.0,0.2927489548351724,0.2719827290795696,0.522411075320403,0.4755842642724967,0.39068175587691045
EOS-3-03339,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)cc1,RAAIULNOWMVBNR-UHFFFAOYSA-N,3,1,0.566,89,402,441.455,1.92,5,0.424,0.83,1.0,0.46153450757316156,0.18768418888355837,0.14295627441573572,0.08248235213487766,0.21866433075183334
EOS-3-03340,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnn(C)n5)ccc4Cl)n23)cc1F,ZQFUYGXWGGSPAE-UHFFFAOYSA-N,3,1,0.349,61,413,463.864,2.801,5,0.435,0.78,1.0,0.35709512713316427,0.427558083750257,0.3986018778699198,0.4222637242135563,0.40137970324172434
EOS-3-03341,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5nnn(C)n5)c4)n23)cc1Cl,OSCITJAPKFZOBY-UHFFFAOYSA-N,3,1,0.33,61,413,463.864,2.801,5,0.435,0.78,1.0,0.3312658488109108,0.2929374271811391,0.387610513330135,0.4158556644506888,0.35691736344321845
EOS-3-03342,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(F)c(C)c4)n23)cc1F,MKPROKNGYDZYJT-UHFFFAOYSA-N,3,1,0.333,96,648,446.417,4.06,5,0.447,0.82,1.0,0.3638287300390652,0.37612226715098346,0.7322150640805977,0.6650589404427387,0.5343062504283462
EOS-3-03343,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cncnc5)c4)n23)cc1,QRAVNUIEVIRUML-UHFFFAOYSA-N,3,1,0.56,97,230,441.426,3.065,5,0.43,0.78,1.0,0.7866150366664382,0.3569837571105476,0.7061630457131108,0.6033942156123638,0.6132890137756151
EOS-3-03344,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)cc1,TYDBKOFVYLYQCT-UHFFFAOYSA-N,3,1,0.494,7,408,439.439,1.977,5,0.421,0.78,1.0,0.5038294153930505,0.22613254746076347,0.16788602563223906,0.08080323487081077,0.24466280583921596
EOS-3-03345,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)c(F)c1,PIVCYYUYZQCIPQ-UHFFFAOYSA-N,3,1,0.361,61,917,431.435,2.41,5,0.461,0.81,0.927,0.2735247755465698,0.3808597765746008,0.43875505448564184,0.30795524638475774,0.3502737132478925
EOS-3-03346,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(Cl)nc(-c5cnn(C)c5)c4)n23)cc1,SRRKIXNJSBVNHW-UHFFFAOYSA-N,3,1,0.369,74,333,444.886,3.267,5,0.427,0.79,1.0,0.11479679254334864,0.15500993763278734,0.4772719484613803,0.38749914330751833,0.28364445548625866
EOS-3-03347,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)nn4)n23)cc1,WUMUSJHBABXEFC-UHFFFAOYSA-N,3,1,0.406,25,508,434.427,1.896,6,0.404,0.8,1.0,0.13128812281543417,0.09639503803714619,0.026994380097320265,0.05132444657665684,0.07650049688163937
EOS-3-03348,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(Cl)cn4)n23)cc1,WFJXWNXJHCGCBW-UHFFFAOYSA-N,3,1,0.356,74,333,443.858,2.718,5,0.449,0.76,1.0,0.31630799808100885,0.25637379206360084,0.22201185662394626,0.24178431910081558,0.2591194914673429
EOS-3-03349,COc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC(F)C5)cc4)n23)c(OC)n1,YHOYZNSDAJVCTR-UHFFFAOYSA-N,3,1,0.356,63,437,449.446,2.496,5,0.477,0.77,0.964,0.4040847097525872,0.25148207799328354,0.20453532999794394,0.12852100609965048,0.24715578096086627
EOS-3-03350,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)c(F)c4)n23)cc1F,SWYKFUAQHPEJMI-UHFFFAOYSA-N,3,1,0.408,0,685,455.415,4.49,5,0.435,0.89,1.0,0.3707679391405661,0.5034010691522172,0.9064834487012542,0.9192395997532725,0.6749730141868275
EOS-3-03351,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5F)n4)n23)cc1,RRGPQRROIIDKBV-UHFFFAOYSA-N,3,1,0.343,61,681,458.432,3.209,6,0.434,0.8,0.686,0.1092197244876979,0.21563806456034543,0.3017870605167569,0.4318244123089576,0.2646173154684395
EOS-3-03352,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)cn5)nc4)n23)cc1,GEDFTJJKKPVXRT-UHFFFAOYSA-N,3,1,0.517,89,731,456.441,2.721,5,0.414,0.8,1.0,0.7219004866013295,0.3902491261736687,0.4239171407031732,0.2714173120416695,0.4518710163799603
EOS-3-03353,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnccc5OC)cn4)n23)cn1,VEZUVIKRLVXYFO-UHFFFAOYSA-N,3,1,0.315,82,845,439.439,2.074,5,0.437,0.79,1.0,0.3754883147145501,0.13980364608320198,0.140137756151052,0.06444040847097526,0.17996753135494487
EOS-3-03354,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccncc4)n23)cc1,UUFBBFANOXFXDD-UHFFFAOYSA-N,3,1,0.284,64,495,433.439,2.501,6,0.412,0.84,1.0,0.10681241861421424,0.03927935028442191,0.08127441573572751,0.12207867863751627,0.08736121581796998
EOS-3-03355,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(CF)nc4OC(F)F)n23)cc1,OQAFCQDHUCQJLH-UHFFFAOYSA-N,3,1,0.352,66,437,429.362,2.679,4,0.502,0.72,1.0,0.5602254814611747,0.5122421355630183,0.5087296963881845,0.3684463025152491,0.48741090398190673
EOS-3-03356,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cc1F,BXSBNUAEWDUEDY-UHFFFAOYSA-N,3,1,0.296,74,997,459.42,2.604,6,0.402,0.83,1.0,0.045952984716606124,0.1833321910766911,0.26146254540470154,0.37491433075183334,0.21641551298745804
EOS-3-03357,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(C(F)F)nc5)no4)n23)cc1,VIELIYLRZMMTND-UHFFFAOYSA-N,3,1,0.371,74,837,434.366,2.94,5,0.446,0.79,0.998,0.2760006168185868,0.1965081214447262,0.44931807278459324,0.3488965800836132,0.31768084778287986
EOS-3-03358,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cncc(F)c5)n4)n23)cc1,NJXDAJCBBGGBDK-UHFFFAOYSA-N,3,1,0.411,96,139,429.39,3.292,5,0.469,0.79,1.0,0.2789562058803372,0.22614111438558016,0.6796569803303406,0.6563892125282709,0.4602858782811322
EOS-3-03359,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)o5)n4)n23)cc1,ACAVCWIRAOGONL-UHFFFAOYSA-N,3,1,0.479,89,398,442.439,2.483,5,0.421,0.82,1.0,0.41309711465972176,0.15875368377767116,0.10047289424988007,0.03967342882598862,0.17799928037831542
EOS-3-03360,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(F)cc(OC(F)(F)F)c4)n23)cc1,RLJIMNIZPUVONC-UHFFFAOYSA-N,3,1,0.402,0,999,457.387,4.388,5,0.45,0.91,1.0,0.6854225207319581,0.8640514700842985,0.9450260434514427,0.9316702076622576,0.8565425604824892
EOS-3-03361,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(OCC)c(OC(F)F)n4)n23)cc1,IVCGUSDLNAIBAR-UHFFFAOYSA-N,3,1,0.387,63,437,455.425,2.998,4,0.431,0.8,1.0,0.5269772462476869,0.35699232403536424,0.30179562744157357,0.1492186964567199,0.3337459735453362
EOS-3-03362,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cc(-c5ccccc5F)ncn4)n23)cc1,FKLWPYCXXJZQER-UHFFFAOYSA-N,3,1,0.42,62,886,453.481,3.532,5,0.422,0.82,1.0,0.27600918374340344,0.31305256665067505,0.4309591529024741,0.3842094441779179,0.35105758686861765
EOS-3-03363,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)cs4)n23)cc1,OXQSYNUFMCJHLC-UHFFFAOYSA-N,3,1,0.506,1,347,442.504,3.853,5,0.429,0.87,1.0,0.5162428894524022,0.3322596120896443,0.27989000068535397,0.19490610650400933,0.33082465218285245
EOS-3-03364,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(C(F)(F)F)cn5)n4)n23)cc1,AFTMESQWRPTMFZ-UHFFFAOYSA-N,3,1,0.33,74,333,466.387,2.207,5,0.427,0.84,1.0,0.09195737098211226,0.1792886025632239,0.572955931738743,0.42861181550270716,0.3182034301966966
EOS-3-03365,CCn1nc(-c2cccc(F)c2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)nc3)n12,MRBWOQSZHPSASP-UHFFFAOYSA-N,3,1,0.376,82,336,443.446,2.63,5,0.444,0.8,1.0,0.14740250839558633,0.28223733808512097,0.043862655061339184,0.05009080940305668,0.1308983277362758
EOS-3-03366,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)nc1,MOGVHEXWYILABB-UHFFFAOYSA-N,3,1,0.322,74,333,439.483,2.8,5,0.448,0.78,1.0,0.09923069015146323,0.05401446096909054,0.04561887464875608,0.021991296004386266,0.055213830443424025
EOS-3-03367,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nncc(C)n5)cn4)n23)cc1,PKXAQCNQPWNHIH-UHFFFAOYSA-N,3,1,0.333,74,453,424.428,1.768,5,0.457,0.77,1.0,0.13129668974025083,0.030172709204304024,0.052686587622507025,0.025366664382153382,0.059880662737303816
EOS-3-03368,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cc1,FLNWGPGTJNOLKY-UHFFFAOYSA-N,3,1,0.349,62,582,451.465,3.947,6,0.407,0.89,1.0,0.22513021725721336,0.19651668836954286,0.44577136591049277,0.4906620519498321,0.33952008087177027
EOS-3-03369,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)cc1F,NJMGWQQNFIYISN-UHFFFAOYSA-N,3,1,0.439,0,646,456.308,4.72,5,0.472,0.85,1.0,0.35024158727983,0.48941984785141524,0.7682646837091358,0.8919025426632856,0.6249571653759167
EOS-3-03370,Cc1ncc(COc2cncc3nnc(-c4ccc(C(=O)NCCC#N)cn4)n23)cc1F,IBJJOFMFPKZEPN-UHFFFAOYSA-N,3,1,0.408,63,457,432.419,2.251,4,0.44,0.75,1.0,0.3847148927421013,0.12898362003975053,0.2687101637996025,0.17036186690425606,0.2381926358714276
EOS-3-03371,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnc5)cn4)n23)nc1,XHEBLHZGNBVGDW-UHFFFAOYSA-N,3,1,0.35,52,647,448.49,3.126,6,0.425,0.81,1.0,0.07018881502295936,0.050373517922006714,0.11695565759714893,0.16240319374957166,0.09998029607292166
EOS-3-03372,COc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)ccc1F,FDPYYTQYEHDUDU-UHFFFAOYSA-N,3,1,0.402,0,21,417.444,3.842,5,0.504,0.92,1.0,0.2982232197930231,0.21564663148516208,0.050810431087656774,0.17576759646357343,0.18511196970735386
EOS-3-03373,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(C(C)(C)F)nc3)n12,FGRIZWQBZIZWPZ-UHFFFAOYSA-N,3,1,0.358,63,334,461.501,3.278,5,0.45,0.83,0.999,0.30060482489205675,0.2464875608251662,0.13376396408745117,0.05540230278939072,0.18406466314851622
EOS-3-03374,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cc4F)n23)cc1F,QYTHNMASIHWREW-UHFFFAOYSA-N,3,1,0.385,66,685,474.393,3.966,5,0.443,0.87,1.0,0.37077650606538276,0.46735144952367896,0.9206959769721061,0.8962202727708861,0.6637610513330134
EOS-3-03375,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nncn5C)ccc4F)n23)cc1Cl,KCWMYYMUNHFWEH-UHFFFAOYSA-N,3,1,0.333,61,648,462.876,3.406,5,0.439,0.82,1.0,0.3663045713110822,0.38539167980261807,0.5661794942087588,0.5760742923720101,0.4734875094236173
EOS-3-03376,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(Cl)c5)nc4)n23)cc1,BCJLUIRKMKDLSG-UHFFFAOYSA-N,3,1,0.529,89,230,457.881,3.58,5,0.413,0.83,1.0,0.8218679322870263,0.44531731889520937,0.6135288876704817,0.5403759166609554,0.6052725138784183
EOS-3-03377,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOC5=O)nc4)n23)cc1,YZOOFPLILNCXHZ-UHFFFAOYSA-N,3,1,0.324,0,829,469.461,2.338,6,0.471,0.81,1.0,0.15324515112055376,0.01872729764923583,0.003769446919333836,0.004180659310533891,0.04498063874991433
EOS-3-03378,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnc5)cn4)n23)cc1,UZCVOWUWDHPARB-UHFFFAOYSA-N,3,1,0.381,85,357,423.44,1.989,5,0.455,0.76,1.0,0.15868514837913783,0.09002124597354534,0.18406037968610786,0.10801178808854774,0.1351946405318347
EOS-3-03379,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)c(F)c1,IINXYTAYZZMXIZ-UHFFFAOYSA-N,3,1,0.528,66,12,472.402,3.815,5,0.429,0.93,1.0,0.6972106092796929,0.6114471249400315,0.8782554314303338,0.7988914399287231,0.7464511513946953
EOS-3-03380,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)nc1,ZGXYUOWYWUPILB-UHFFFAOYSA-N,3,1,0.324,74,918,438.415,0.692,5,0.386,0.82,1.0,0.13379823178671785,0.06942635871427592,0.030318346926187376,0.021160304297169488,0.06367581043108766
EOS-3-03381,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cc2)n1C,JBLNJHZAOZXNSK-UHFFFAOYSA-N,3,1,0.329,3,973,434.467,3.143,6,0.42,0.82,1.0,0.03869679939688849,0.058066616407374406,0.10842300047974779,0.1197827427866493,0.081242289767665
EOS-3-03382,COc1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4C(F)F)n23)cn1,RTQFRTFIZGHRPK-UHFFFAOYSA-N,3,1,0.301,63,66,438.398,2.482,5,0.488,0.71,1.0,0.39366732917551917,0.27199129600438626,0.09806558837639641,0.08590055513672812,0.2124061921732575
EOS-3-03383,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)n4)n23)cc1F,DEUQUADXZWOSOE-UHFFFAOYSA-N,3,1,0.402,14,81,458.432,2.872,5,0.431,0.77,1.0,0.24169008292783223,0.2616253169762182,0.5258978137207868,0.4694503461037626,0.37466588993215
EOS-3-03384,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)cc1,SFXCSYPQXGLCHF-UHFFFAOYSA-N,3,1,0.347,62,124,441.47,3.748,5,0.449,0.82,1.0,0.2498115276540333,0.2668425741895689,0.5729644986635597,0.4632221917620451,0.3882101980673018
EOS-3-03385,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(COC)nc4OC)n23)cc1F,RYWCMHKTDJYSQH-UHFFFAOYSA-N,3,1,0.34,0,999,422.42,2.507,4,0.509,0.78,1.0,0.4548094715920773,0.37613083407580017,0.3911058186553355,0.20677129737509423,0.3572043554245768
EOS-3-03386,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnsc5)cc4)n23)cc1F,PCUSXKUFVYOQFS-UHFFFAOYSA-N,3,1,0.354,62,648,430.468,4.081,5,0.464,0.84,1.0,0.2735333424713865,0.24145020903296552,0.684985607566308,0.6393324652182852,0.4598254060722363
EOS-3-03387,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)o5)c4)n23)cc1F,MYEPWKCYNIIUBQ-UHFFFAOYSA-N,3,1,0.484,43,637,459.441,3.227,5,0.411,0.84,1.0,0.6085943389760812,0.394858131725036,0.40902782537180454,0.2803183469261874,0.4231996607497773
EOS-3-03388,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)o1,XIAIITCKQSBWBC-UHFFFAOYSA-N,3,1,0.536,43,637,427.424,2.828,5,0.437,0.83,1.0,0.5394421218559385,0.17514221095195667,0.2798985676101707,0.1624117606743883,0.28922366527311355
EOS-3-03389,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5cnnn5C)c4)n23)cc1,ONCWXZGYVDBCMV-UHFFFAOYSA-N,3,1,0.366,74,357,425.456,1.932,5,0.457,0.76,1.0,0.06086800082242478,0.058075183332191076,0.1872472757179083,0.1080203550133644,0.10355270372147213
EOS-3-03390,Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cnc1Cl,IIUGJPIOQIDWOT-UHFFFAOYSA-N,3,1,0.375,63,505,419.876,3.026,5,0.499,0.79,0.963,0.11752964155986567,0.15876225070248784,0.11972277431293263,0.19491467342882599,0.14773233500102803
EOS-3-03391,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)ccnc5F)cn4)n23)cc1F,HGFIKSYKXMAPME-UHFFFAOYSA-N,3,1,0.349,96,802,461.407,3.692,5,0.41,0.88,1.0,0.3110650400932081,0.3711877184565828,0.828010417380577,0.787420327599205,0.5744208758823932
EOS-3-03392,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnn(-c5cncc(Cl)c5)n4)n23)cc1,GCMHCXNFFBJOCF-UHFFFAOYSA-N,3,1,0.345,74,333,432.835,1.842,5,0.455,0.77,1.0,0.10175793297238024,0.15095778219450345,0.08624323212939483,0.10586148995956411,0.11120510931396066
EOS-3-03393,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(CCO)nc4)n23)cc1,QUYDFISZFSRUGG-UHFFFAOYSA-N,3,1,0.489,63,536,431.456,1.587,5,0.431,0.89,1.0,0.4476817901446097,0.11243232129394833,0.04562744157357275,0.04463367829483929,0.16259380782674254
EOS-3-03394,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-n5cccc5)cnn4)n23)cc1,HMYVVYFSQASSKJ-UHFFFAOYSA-N,3,1,0.443,89,398,452.478,2.843,6,0.404,0.85,1.0,0.3502501542046467,0.1587708176273045,0.14920156260708656,0.15980741553012132,0.20450748749228978
EOS-3-03395,Cn1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)n1,DQLSXHYXHLRKDU-UHFFFAOYSA-N,3,1,0.383,52,916,467.508,3.814,6,0.41,0.86,1.0,0.23060448221506408,0.21565519840997877,0.4162754437667055,0.435088410664108,0.32440588376396406
EOS-3-03396,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)nc1,SKJKQTWROUEMRB-UHFFFAOYSA-N,3,1,0.32,85,647,437.467,2.379,5,0.429,0.76,1.0,0.10432801041738057,0.03632376122267151,0.13377253101226783,0.08249091905969433,0.08922880542800354
EOS-3-03397,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cnc(-c4ccc(F)cc4)nc3)n12,JJVXGQBWRDILQD-UHFFFAOYSA-N,3,1,0.389,96,648,425.427,3.462,5,0.472,0.81,1.0,0.2955674730998561,0.33706565691179496,0.5695120279624426,0.5138527174285519,0.42899946885066137
EOS-3-03398,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)s4)n23)cc1,OYDOXGDGUWRIQX-UHFFFAOYSA-N,3,1,0.326,62,302,438.516,4.474,6,0.437,0.91,1.0,0.0895500651086286,0.06184463025152491,0.15508703995613735,0.247524158727983,0.13850147351106845
EOS-3-03399,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COCc4ccc(Cl)cc4)n23)c(F)c1,STLFXPNLNXORLS-UHFFFAOYSA-N,3,1,0.538,0,646,451.889,4.193,5,0.455,0.84,1.0,0.48631005414296485,0.4941230895757659,0.6282639983551505,0.7403707765060654,0.5872669796449868
EOS-3-03400,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1)N1CCCC1,GZTDEAAJEAIPTI-UHFFFAOYSA-N,3,1,0.442,0,21,421.863,4.487,5,0.489,0.93,1.0,0.2710746350490028,0.39025769309848535,0.08863340415324515,0.43183297923377423,0.29544967788362686
EOS-3-03401,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4cnccc4F)n23)cc1,OKGDFJHXLSRHJB-UHFFFAOYSA-N,3,1,0.381,74,139,431.456,3.476,5,0.468,0.78,1.0,0.14191967651291892,0.2359759440751148,0.39111438558015216,0.34890514700842984,0.27947878829415396
EOS-3-03402,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(Cl)c5)ncn4)n23)cc1,QONLWGAQAQQROT-UHFFFAOYSA-N,3,1,0.356,74,139,442.87,3.323,5,0.425,0.82,1.0,0.19463196490987594,0.19195051744225894,0.4809471592077308,0.4253735179220067,0.3232257898704681
EOS-3-03403,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5cnc(F)c(F)c5)n4)n23)cc1,QGTWFYNRYKBTQJ-UHFFFAOYSA-N,3,1,0.36,74,333,445.393,2.343,5,0.418,0.78,0.976,0.2683160852580358,0.22087245562332944,0.40569529161812073,0.35216057843876364,0.31176110273456237
EOS-3-03404,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnc5)c4)n23)cc1,QPHCNJVKSMTRMU-UHFFFAOYSA-N,3,1,0.478,89,731,438.451,2.582,5,0.43,0.79,1.0,0.6116098965115482,0.23112706462888083,0.3876190802549517,0.2271605784387636,0.36437915495853607
EOS-3-03405,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nc4)n23)cc1,CVMXTCIPRIOHEW-UHFFFAOYSA-N,3,1,0.5,89,656,438.451,2.582,5,0.43,0.79,1.0,0.7066513604276609,0.26685114111438557,0.2614711123295182,0.13963230758686862,0.3436514803646083
EOS-3-03406,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(C)nc(C)n5)c4)n23)cc1F,LTFVDZPOJHDIBZ-UHFFFAOYSA-N,3,1,0.33,74,413,443.446,2.55,5,0.454,0.74,1.0,0.02276231923788637,0.09938489479816325,0.22538722500171338,0.14418134466451923,0.12292894592557055
EOS-3-03407,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5c(F)cccc5F)nn4)n23)nc1,HJFOWDDKRFXGKH-UHFFFAOYSA-N,3,1,0.321,33,997,459.42,2.604,6,0.43,0.79,0.987,0.03570694263587143,0.13981221300801863,0.1615636351175382,0.2952419299568227,0.15808118017956274
EOS-3-03408,Cc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,DXEXTYHBHDNMGF-UHFFFAOYSA-N,3,1,0.315,62,302,447.502,4.116,6,0.435,0.84,1.0,0.12539407854156673,0.06595675416352546,0.1905712425467754,0.2212322664656295,0.1507885854293743
EOS-3-03409,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnn(C)c5)n4)n23)nc1,DPNUIKBTUCUEPU-UHFFFAOYSA-N,3,1,0.402,33,53,441.455,1.92,5,0.424,0.8,1.0,0.257478925364951,0.10277739702556371,0.13083407580015077,0.05254951682544034,0.13590997875402644
EOS-3-03410,Cc1nc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)c2)n(C)n1,SEWUOEMROAHEBR-UHFFFAOYSA-N,3,1,0.406,61,316,446.421,2.939,5,0.454,0.77,1.0,0.24709581248714962,0.23113563155369748,0.44221609211157564,0.41586423137550543,0.33407794188198203
EOS-3-03411,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1)N1CCCC1,UYQVKQGQIZNTIB-UHFFFAOYSA-N,3,1,0.33,52,821,448.49,3.546,6,0.414,0.82,0.97,0.01958399013090261,0.00410355698718388,0.007127681447467617,0.03968199575080529,0.017624306079089852
EOS-3-03412,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cn(C)nn5)ccc4OC)n23)cc1F,BYEMELXPXYSKKH-UHFFFAOYSA-N,3,1,0.327,61,648,458.457,2.761,5,0.431,0.83,1.0,0.3684977040641491,0.35700089096018095,0.45313892125282706,0.3013844150503735,0.37000548283188267
EOS-3-03413,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ncc(-c5ccccn5)cc4F)n23)cc1,VTRMJYOUNDJIOO-UHFFFAOYSA-N,3,1,0.418,62,412,441.426,3.539,5,0.445,0.78,1.0,0.7188677952162292,0.47620108285929685,0.5048917140703173,0.36530224110753207,0.5163157083133438
EOS-3-03414,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(F)c1,WUTZSXQDCOLZST-UHFFFAOYSA-N,3,1,0.494,61,451,430.403,2.617,5,0.454,0.76,1.0,0.6609982180796381,0.42756665067507366,0.41628401069152215,0.3201802480981427,0.45625728188609416
EOS-3-03415,CCc1cncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,RMTMIJOUYRFXJZ-UHFFFAOYSA-N,3,1,0.411,63,108,416.445,2.01,5,0.486,0.85,1.0,0.19743334932492632,0.09939346172297991,0.013938386676718525,0.01235350558563498,0.08077967582756493
EOS-3-03416,CCOc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1CO,UOGQJGGCERPUHO-UHFFFAOYSA-N,3,1,0.372,0,862,429.48,3.242,5,0.468,0.91,1.0,0.35231478308546366,0.13230758686861765,0.3573521348776643,0.3047940511274073,0.28669213898978824
EOS-3-03417,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(F)nc5)n4)n23)cc1F,CWAZWDORXTZHCH-UHFFFAOYSA-N,3,1,0.341,96,802,443.417,3.553,5,0.427,0.82,1.0,0.27108320197381947,0.27714858474402027,0.6849941744911247,0.6334041532451511,0.4666575286135289
EOS-3-03418,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cnccn5)c(F)c4)n23)cc1,GXUFNICVBNSTEQ-UHFFFAOYSA-N,3,1,0.467,14,886,439.454,3.272,5,0.435,0.81,1.0,0.29275752175998904,0.23114419847851414,0.5626070865602083,0.4936347748612158,0.39503589541498185
EOS-3-03419,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)n1,JRLJOLKEULGCJE-UHFFFAOYSA-N,3,1,0.495,89,943,438.451,2.63,5,0.428,0.78,1.0,0.4961705846069495,0.17044753615242272,0.21485847440202865,0.11751250771023233,0.2497472757179083
EOS-3-03420,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)cc1,OMBDZLXYEUWVPS-UHFFFAOYSA-N,3,1,0.364,25,508,436.443,1.839,6,0.406,0.79,1.0,0.15064080597628676,0.09002981289836201,0.05081899801247344,0.07139675142210952,0.09072159207730793
EOS-3-03421,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)nc1,MUVOBOSFLDKXCP-UHFFFAOYSA-N,3,1,0.3,98,866,436.443,1.839,6,0.406,0.79,1.0,0.11996264820779932,0.08369028853402782,0.04886573915427318,0.05684154615859091,0.07734005551367282
EOS-3-03422,CCn1ccc(-c2c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cnn2C)n1,GZNCDSDLYLCZHV-UHFFFAOYSA-N,3,1,0.311,52,295,453.51,2.967,6,0.424,0.81,1.0,0.06613665958467549,0.014263929819751902,0.03536426564320472,0.03969056267562196,0.03886385443081351
EOS-3-03423,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)no4)n23)cc1,POKKABBYGRZIDS-UHFFFAOYSA-N,3,1,0.379,62,302,457.881,4.054,6,0.423,0.9,1.0,0.27896477280515386,0.3711962853813995,0.19756185319717634,0.3456240148036461,0.2983367315468439
EOS-3-03424,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(C)C5CC5)nc4)n23)cc1,VMCVPYNSSGBPHL-UHFFFAOYSA-N,3,1,0.386,63,334,427.512,3.219,5,0.507,0.76,1.0,0.1920104859159756,0.08369885545884449,0.06223014186827496,0.04741792886025632,0.09633935302583785
EOS-3-03425,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)c(OC)c1,PNSNDOKEJTWZBI-UHFFFAOYSA-N,3,1,0.348,96,100,455.453,3.423,5,0.433,0.82,0.996,0.47405935165512986,0.43681036255225825,0.6714670002056062,0.5138612843533685,0.5240494996915908
EOS-3-03426,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cc1,HWGAKQVFWDCZIN-UHFFFAOYSA-N,3,1,0.297,25,213,433.439,2.501,6,0.412,0.81,1.0,0.10682098553903091,0.06943492563909259,0.08128298266054416,0.10587005688438078,0.09085223768076212
EOS-3-03427,N#Cc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cn2)cn1,VPIBKQPKFROVFG-UHFFFAOYSA-N,3,1,0.369,74,155,437.398,2.42,5,0.45,0.75,1.0,0.22218319512027962,0.2563823589884175,0.5529435953670071,0.5000171338496333,0.3828815708313344
EOS-3-03428,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cnc(C)nn5)nc4)n23)nc1,SSGQPXWYODQRMU-UHFFFAOYSA-N,3,1,0.301,50,432,424.428,1.768,5,0.457,0.76,1.0,0.15594373243780413,0.06596532108834213,0.06822698923994243,0.03409636077033788,0.08105810088410664
EOS-3-03429,Cc1nc(Cl)c(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)s1,ALAJEEFCLKKXBW-UHFFFAOYSA-N,3,1,0.42,63,108,455.931,3.118,5,0.456,0.77,1.0,0.3210626413542595,0.2261496813103968,0.012790418751285039,0.029041875128503872,0.14726115413611132
EOS-3-03430,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5csnn5)cc4)n23)nc1,BDPMXORPOWVWEZ-UHFFFAOYSA-N,3,1,0.337,52,916,454.519,3.188,6,0.419,0.83,0.998,0.04461654444520595,0.05038208484682338,0.08129154958536083,0.12645637721883352,0.07568663902405592
EOS-3-03431,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(Cl)c1,CHFUQBTWKIXFCN-UHFFFAOYSA-N,3,1,0.466,90,555,430.255,2.827,4,0.519,0.69,1.0,0.5187958330477692,0.5304725515728874,0.4387636214104585,0.4253820848468234,0.4783535227194846
EOS-3-03432,CNC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)cnc(F)c4Cl)n23)cn1,COOXRIAAPZZYFN-UHFFFAOYSA-N,3,1,0.448,90,555,431.79,2.452,4,0.483,0.73,1.0,0.6942807209923926,0.6351175382084847,0.542706120211089,0.49067061887464875,0.5906937495716538
EOS-3-03433,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nn5)cc4F)n23)cn1,SMOMCYYHIQXSAH-UHFFFAOYSA-N,3,1,0.345,96,204,440.442,3.117,5,0.457,0.76,0.999,0.22804297169488041,0.2514906449181002,0.3684548694400658,0.2984031252141731,0.28659790281680486
EOS-3-03434,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5C)ncn4)n23)cc1,TYJYCEOXBLNPHG-UHFFFAOYSA-N,3,1,0.455,89,463,453.466,2.285,5,0.411,0.8,1.0,0.4452573504214927,0.19652525529435955,0.19409224864642588,0.082499485984511,0.22959358508669725
EOS-3-03435,COc1cc(-c2nnc3cncc(-c4ccc(-c5nnc(C)n5C)cn4)n23)ccc1C(N)=O,UNWZEGKJDOUKQA-UHFFFAOYSA-N,3,1,0.337,74,333,441.455,2.065,5,0.437,0.79,1.0,0.18071071208279077,0.09003837982317867,0.07039442121855939,0.02905044205332054,0.09254848879446233
EOS-3-03436,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c(C#N)c2)c1,ICVPBEBUIIDOCI-UHFFFAOYSA-N,3,1,0.349,61,648,438.426,2.968,5,0.459,0.77,1.0,0.30834932492632444,0.26163388390103487,0.7294993489137139,0.6623603591254883,0.49046072921664036
EOS-3-03437,Cc1noc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC(C)C)cc5)n34)c(F)c2)n1,ZDIMMTDWBPRMQE-UHFFFAOYSA-N,3,1,0.337,74,333,458.457,3.489,5,0.424,0.85,1.0,0.23333733123158112,0.1919590843670756,0.26147967925433485,0.14184257418956892,0.2071546672606401
EOS-3-03438,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4C#N)n23)cn1,LQRRZXYGDGIWTR-UHFFFAOYSA-N,3,1,0.343,82,204,451.425,2.681,5,0.441,0.79,1.0,0.34565828250291275,0.29294599410595573,0.43489993831814133,0.3684548694400658,0.3604897710917689
EOS-3-03439,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(C5CCCCO5)n4)n23)cc1,ZKQGGPVFZSLYEN-UHFFFAOYSA-N,3,1,0.309,63,792,442.483,2.777,6,0.501,0.71,1.0,0.12540264546638338,0.03327393598793777,0.002655746693167021,0.008755397162634501,0.04252193132753067
EOS-3-03440,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)ns4)n23)cc1,KYRXKQNWJSXFTC-UHFFFAOYSA-N,3,1,0.403,62,837,447.911,3.99,5,0.447,0.86,1.0,0.177635186073607,0.3519978068672469,0.3018041943663902,0.34563258172846273,0.2942674422589267
EOS-3-03441,Cc1nn(C)cc1-c1ncnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,GVDKWQHSSXRBJY-UHFFFAOYSA-N,3,1,0.308,29,849,452.482,2.244,6,0.43,0.79,1.0,0.08955863203344527,0.017150983482968955,0.015223425399218697,0.014897882256185319,0.03420773079295456
EOS-3-03442,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)c(Cl)c1,PVYSCMYKJSBVKA-UHFFFAOYSA-N,3,1,0.362,74,139,442.87,3.323,5,0.454,0.75,1.0,0.15325371804537044,0.2563909259132342,0.31271845658282504,0.3013929819751902,0.25593902062915497
EOS-3-03443,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5nn[nH]n5)c4)n23)cc1,MCQHRNPWFGXDPZ-UHFFFAOYSA-N,3,1,0.39,52,916,455.457,2.594,6,0.403,0.88,1.0,0.3083578918511411,0.332268179014461,0.20106572544719348,0.27744842711260365,0.27978505585634983
EOS-3-03444,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C(F)c4ccc(Cl)c(F)c4)n23)cc1,RGJILDDWYOLULW-UHFFFAOYSA-N,3,1,0.479,0,646,439.853,4.535,5,0.495,0.8,1.0,0.3593739291343979,0.512250702487835,0.8939329038448358,0.9202676307312727,0.6714562915495854
EOS-3-03445,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)c5ccccc5)cn4)n23)nc1,MMVFNYRWPAHLIE-UHFFFAOYSA-N,3,1,0.333,62,776,435.447,2.839,5,0.422,0.82,1.0,0.17473099856075663,0.07320437255842643,0.264906449181002,0.18677609485299157,0.17490447878829413
EOS-3-03446,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC(C)(C)C)cn4)n23)c1,HVRGOFKXLUKOQY-UHFFFAOYSA-N,3,1,0.296,61,523,454.498,2.572,5,0.439,0.81,1.0,0.059086080460557876,0.03928791720923857,0.08385306010554451,0.02537523130697005,0.051900572270577754
EOS-3-03447,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C)n5)nc4)n23)cc1,FSOHFQBJMLAWAG-UHFFFAOYSA-N,3,1,0.541,89,707,441.455,1.92,5,0.424,0.81,0.975,0.47122369954081283,0.15096634911932014,0.16789459255705572,0.06779007607429237,0.21446867932287025
EOS-3-03448,CC1CN(c2ncnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)CC(C)O1,NQJOWZGWVNOSRE-UHFFFAOYSA-N,3,1,0.33,63,792,471.525,2.149,6,0.466,0.76,0.968,0.08462408333904461,0.018735864574052498,0.007907271605784388,0.011008498389418135,0.03056892947707491
EOS-3-03449,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nn5)n4)n23)cc1,LVSMTZZBDDPGJJ-UHFFFAOYSA-N,3,1,0.373,29,849,444.846,2.113,5,0.441,0.73,0.989,0.23888013158796517,0.21566376533479542,0.09097217462819546,0.08590912206154479,0.1578562984031252
EOS-3-03450,Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5COC5)cn4)n23)ccc1F,XRSJHGXOHOEQCM-UHFFFAOYSA-N,3,1,0.392,63,505,418.432,2.353,5,0.535,0.81,1.0,0.2900075388938387,0.18769275580837502,0.40202008087177027,0.36208107737646494,0.3104503632376122
EOS-3-03451,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)cc1,FYTZJPVZHOBMAN-UHFFFAOYSA-N,3,1,0.319,25,27,432.451,3.106,6,0.418,0.84,1.0,0.0992392570762799,0.0467325748749229,0.10843156740456446,0.17878315399904052,0.10829663833870193
EOS-3-03452,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccs5)cn4)n23)cc1,HVIPMYINSSSUDR-UHFFFAOYSA-N,3,1,0.346,74,582,439.504,3.869,6,0.446,0.83,1.0,0.1776437529984237,0.10598999383181414,0.1337810979370845,0.18418031663354123,0.15039879035021592
EOS-3-03453,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(F)c5F)n4)n23)cn1,BKLYCOWRQHIYLN-UHFFFAOYSA-N,3,1,0.33,29,704,445.393,2.343,5,0.447,0.72,0.988,0.3409978754026455,0.2929545610307724,0.27225687067370297,0.26263621410458504,0.2922113803029265
EOS-3-03454,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)c5ccccc5)cc4)n23)cc1,KFCBOKMHGOLLII-UHFFFAOYSA-N,3,1,0.449,79,319,447.498,3.973,5,0.398,0.88,1.0,0.33849633335617846,0.1704561030772394,0.6015351929271469,0.46642622164347886,0.3942284627510109
EOS-3-03455,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncs5)nc4)n23)cn1,XUJDQYDWZJQLSE-UHFFFAOYSA-N,3,1,0.379,85,290,428.481,2.655,5,0.458,0.77,0.999,0.1338067987115345,0.09940202864779658,0.1197313412377493,0.07341854567884312,0.10658967856898088
EOS-3-03456,N#CCCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)nc1,YJEDZWUBNQAWAC-UHFFFAOYSA-N,3,1,0.394,63,457,435.835,1.852,4,0.43,0.75,1.0,0.3593824960592146,0.22088102254814612,0.1057072853128641,0.09744876978959632,0.19585489342745527
EOS-3-03457,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(Cl)c4F)n23)nc1,SPBYSFCVTUDHEI-UHFFFAOYSA-N,3,1,0.385,63,108,457.828,2.984,5,0.443,0.77,1.0,0.49617915153176617,0.3761394010006168,0.41629257761633887,0.5036152422726338,0.44805659310533896
EOS-3-03458,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)n5)cc4OC)n23)cc1,CVJQONODWIXIHU-UHFFFAOYSA-N,3,1,0.345,61,124,440.467,2.622,5,0.447,0.77,1.0,0.3312744157357275,0.0869714207388116,0.31651360427660885,0.14922726338153655,0.22099667603317114
EOS-3-03459,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5F)n4)n23)cc1,IOCRTANXVPZWAK-UHFFFAOYSA-N,3,1,0.373,62,124,426.415,2.809,5,0.47,0.77,1.0,0.2139675142210952,0.25149921184291685,0.3537197587553972,0.34564114865327944,0.2912069083681722
EOS-3-03460,Cc1ncc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)nn1,NNPLULBGLQKLHX-UHFFFAOYSA-N,3,1,0.365,52,341,466.48,3.65,6,0.421,0.86,1.0,0.21397608114591185,0.2261582482352135,0.2909156329244055,0.3456497155780961,0.26917491947090677
EOS-3-03461,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)(F)F)c(F)c4)n23)cc1,XQKZQRTYTHSXCS-UHFFFAOYSA-N,3,1,0.384,0,999,457.387,4.388,5,0.45,0.91,1.0,0.6703532999794394,0.8517579329723802,0.9468250976629429,0.9286203824275238,0.8493891782605716
EOS-3-03462,Cn1cc(-c2cc(F)nc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,YLHIWVNKLSOKKZ-UHFFFAOYSA-N,3,1,0.346,52,295,454.469,3.285,6,0.409,0.83,1.0,0.11480535946816531,0.14694846138030293,0.3089832773627579,0.32967240079501064,0.2251023747515592
EOS-3-03463,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-n5ccnc5)c4)n23)cc1,YQRKOYKWCIEWER-UHFFFAOYSA-N,3,1,0.495,89,637,451.49,3.448,6,0.407,0.86,1.0,0.46407888424371185,0.13982077993283532,0.32743643341786033,0.3171903913371256,0.31213162223288327
EOS-3-03464,O=C(NC1CCCC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)cc1,AIBMCKPQPFXVGU-UHFFFAOYSA-N,3,1,0.408,66,264,466.467,4.468,5,0.469,0.86,1.0,0.36631313823589884,0.2668597080392022,0.5948958261942293,0.6393410321431019,0.46685242615310807
EOS-3-03465,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5F)nc4)n23)nc1,QVGNQXFUQIAQKQ-UHFFFAOYSA-N,3,1,0.317,82,432,453.441,2.737,6,0.403,0.82,1.0,0.20299328353094373,0.21567233225961208,0.10048146117469674,0.14923583030635323,0.16709572681790144
EOS-3-03466,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)ccc4OCC(F)F)n23)cc1F,YHBVJEVWNVTHTL-UHFFFAOYSA-N,3,1,0.355,0,129,445.376,3.74,4,0.458,0.8,1.0,0.7033702282228771,0.7266808306490302,0.9450346103762594,0.9059780001370707,0.8202659173463094
EOS-3-03467,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ncc(F)cn5)nc4)n23)cc1,MRRBRAYBWMDYRW-UHFFFAOYSA-N,3,1,0.421,14,580,440.442,2.667,5,0.43,0.78,0.999,0.2982317867178398,0.17046467000205606,0.25779590158316773,0.21283668014529505,0.23483225961208964
EOS-3-03468,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nn5)cn4)n23)c(F)c1,ULDGFYYMUSEDPW-UHFFFAOYSA-N,3,1,0.362,74,139,440.442,3.117,5,0.457,0.75,1.0,0.1747395654855733,0.2616424508258515,0.4163011445411555,0.3171989582619423,0.29247052977863064
EOS-3-03469,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ccc(F)cn5)nc4)n23)cc1,GDHCHHHORKSBBS-UHFFFAOYSA-N,3,1,0.446,14,886,439.454,3.272,5,0.435,0.79,1.0,0.30583921595504077,0.20592317181824413,0.4531474881776438,0.39998115276540336,0.341222757179083
EOS-3-03470,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cc4)n23)cn1,CZMJCPZASDFBGY-UHFFFAOYSA-N,3,1,0.38,14,319,456.897,3.247,5,0.432,0.81,0.999,0.24169864985264888,0.23115276540333082,0.3312315811116442,0.3079638133095744,0.27801170241929957
EOS-3-03471,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnc5)c4)n23)nc1,CBLSOPDPMICXEA-UHFFFAOYSA-N,3,1,0.388,85,647,456.897,3.247,5,0.432,0.78,0.736,0.1532622849701871,0.19196765129189225,0.48095572613254745,0.45395277911041054,0.32003461037625935
EOS-3-03472,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)nc1,PQDYCPOLJCIBBR-UHFFFAOYSA-N,3,1,0.489,63,683,469.332,4.007,5,0.44,0.87,1.0,0.4863186210677815,0.3079638133095744,0.372524158727983,0.5502535809745733,0.4292650435199781
EOS-3-03473,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1)N1CCOCC1,HLFWQRRVQURGKC-UHFFFAOYSA-N,3,1,0.444,62,376,463.501,3.388,6,0.403,0.88,1.0,0.03571550956068809,0.001345007196216846,0.039467822630388595,0.11029915701459804,0.04670687410047289
EOS-3-03474,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)nc1,ZZWGTNDTYXRMNO-UHFFFAOYSA-N,3,1,0.404,33,457,421.392,1.428,5,0.465,0.89,1.0,0.4086080460557878,0.17515077787677336,0.2543605647316839,0.19492324035364267,0.25826065725447195
EOS-3-03475,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cccc(F)c4)n23)cc1,FVVZFGXNOOZXME-UHFFFAOYSA-N,3,1,0.358,62,302,452.453,3.342,6,0.435,0.8,1.0,0.20042320608594338,0.21568089918442876,0.22202042354876295,0.3521691453635803,0.24757341854567882
EOS-3-03476,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(C(F)(F)F)nn3)n12,UYIVDNLDAOECDY-UHFFFAOYSA-N,3,1,0.37,66,334,470.415,2.487,5,0.456,0.76,1.0,0.32881570831334384,0.36645020903296555,0.2763775615105202,0.19247309985607566,0.2910291446782263
EOS-3-03477,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)c(F)c5)cn4)n23)cc1,MPHWOIKKZYKGIU-UHFFFAOYSA-N,3,1,0.361,62,3,438.466,4.327,5,0.452,0.88,1.0,0.252450140497567,0.25639949283805086,0.7704149818381194,0.6769241313138236,0.4890471866218902
EOS-3-03478,Cc1ncc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)s1,IKJNINJUDUCREX-UHFFFAOYSA-N,3,1,0.317,29,849,455.507,2.967,6,0.429,0.79,1.0,0.1313052566650675,0.058083750257007745,0.015857377835652116,0.01959255705571928,0.05620973545336166
EOS-3-03479,CNC(=O)c1ccc(-c2nnc3cncc(Cc4nc(C(F)(F)F)ncc4C)n23)cn1,FNYMOQWZMREWKE-UHFFFAOYSA-N,3,1,0.36,68,455,428.378,2.254,4,0.531,0.68,1.0,0.27601775066822015,0.3370742238366116,0.3385391679802618,0.1441899115893359,0.2739552635186074
EOS-3-03480,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cc1F,KWXQLRLLGFJJOH-UHFFFAOYSA-N,3,1,0.57,66,12,472.402,3.815,5,0.429,0.93,1.0,0.6794513741347405,0.5351672263724213,0.8782639983551505,0.8053337673908574,0.7245540915632924
EOS-3-03481,Cc1noc(-c2cncc(Cc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c2)n1,NMWNLKJHZNFJRY-UHFFFAOYSA-N,3,1,0.382,85,357,430.403,2.374,5,0.448,0.76,1.0,0.22513878418203,0.21078918511411143,0.25072818860941676,0.20063737920636007,0.22182338427797954
EOS-3-03482,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnc(C)o5)c4)n23)cc1,RWNWVCOFMBLTMW-UHFFFAOYSA-N,3,1,0.547,43,637,459.441,3.227,5,0.411,0.84,1.0,0.6884123774929751,0.4368189294770749,0.427403879103557,0.28032691385100406,0.4582405249811528
EOS-3-03483,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(F)nc5)n4)n23)cc1,NBDCGACRDOSIMA-UHFFFAOYSA-N,3,1,0.373,62,139,425.427,3.414,5,0.443,0.84,1.0,0.2030018504557604,0.20593173874306078,0.5563275306695908,0.46323075868686175,0.35712296963881845
EOS-3-03484,Cc1onc(-c2ccc(Cl)cc2)c1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,NRSNGUZHXFFQOA-UHFFFAOYSA-N,3,1,0.357,96,204,431.843,3.569,5,0.461,0.81,0.998,0.2086474539099445,0.3570094578849976,0.26491501610581863,0.32323007333287646,0.28845050030840935
EOS-3-03485,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(C#N)cc(-c5cnccn5)c4)n23)cc1F,DFWKZZOIHHVECW-UHFFFAOYSA-N,3,1,0.373,74,648,450.437,3.286,5,0.446,0.78,1.0,0.28731752450140496,0.23598451099993145,0.7496573230073333,0.682946679459941,0.4889765094921527
EOS-3-03486,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)ncn4)n23)cc1,MMNOUNPSCGEQSG-UHFFFAOYSA-N,3,1,0.408,66,225,413.363,2.551,4,0.552,0.82,1.0,0.3730895757658831,0.3370827907614283,0.8225275854979097,0.5760828592968268,0.527195702830512
EOS-3-03487,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)nc2)c1,DMIQLLJMKZMNMT-UHFFFAOYSA-N,3,1,0.314,76,387,436.414,3.235,6,0.447,0.79,0.986,0.16408231101363854,0.25150777876773356,0.357360701802481,0.4632393256116784,0.3090475292988829
EOS-3-03488,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccc(C)n5)n4)n23)cc1C,IIWKDDAEIJEYHF-UHFFFAOYSA-N,3,1,0.343,62,423,435.491,3.892,5,0.46,0.81,1.0,0.13916969364676857,0.03929648413405524,0.3202573504214927,0.20064594613117676,0.17484236858337332
EOS-3-03489,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cncc(C(F)F)c5)n4)n23)cc1,UFGVSXHQIBLXTJ-UHFFFAOYSA-N,3,1,0.356,29,849,445.393,2.742,5,0.436,0.75,0.953,0.2251473511068467,0.13982934685765197,0.5087382633130012,0.42227229113837295,0.3239968131039682
EOS-3-03490,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)cc5)n4)n23)c(F)c1,JIXOTNAWMBUZML-UHFFFAOYSA-N,3,1,0.396,29,704,430.378,2.687,5,0.465,0.76,1.0,0.3432081420053458,0.39486669864985263,0.4911589335891988,0.5036238091974505,0.43321439586046195
EOS-3-03491,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCC(F)(F)CC5)cn4)n23)cc1,HMYJICNTDLOGAA-UHFFFAOYSA-N,3,1,0.413,0,345,477.475,2.747,5,0.472,0.78,0.997,0.09924782400109657,0.058092317181824414,0.04720375573983963,0.12208724556233294,0.08165778562127338
EOS-3-03492,Cc1nc(-c2nnco2)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,ZFJLODOOIAQJMG-UHFFFAOYSA-N,3,1,0.317,52,295,439.439,2.499,6,0.438,0.78,1.0,0.15869371530395449,0.020671989582619423,0.030326913851004042,0.03724898910287163,0.061735401960112395
EOS-3-03493,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)c(F)c4)n23)cn1,AYWQXCGBBCBVRL-UHFFFAOYSA-N,3,1,0.341,82,336,427.403,2.204,5,0.463,0.73,1.0,0.2873260914262216,0.20594030566787747,0.3238040572955932,0.28618669042560485,0.2758142862038243
EOS-3-03494,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)nc1,GEMUSBSHHTUVRR-UHFFFAOYSA-N,3,1,0.424,63,457,451.874,1.985,5,0.453,0.78,0.998,0.39581762730450276,0.1965338222191762,0.16157220204235487,0.16509320814200534,0.22975421492700981
EOS-3-03495,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4nccnc4-c4cncc(F)c4)n23)cn1,MNGDGWRSMBMNGH-UHFFFAOYSA-N,3,1,0.269,82,514,453.441,2.737,6,0.431,0.79,0.987,0.18925193612500857,0.16264306764443837,0.07258755397162635,0.14419847851415257,0.14217025906380648
EOS-3-03496,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(F)nn5)n4)n23)cc1F,UUHCKQKDFSVVGK-UHFFFAOYSA-N,3,1,0.337,74,768,446.381,1.738,5,0.438,0.73,0.658,0.31107360701802483,0.24649612774998286,0.2148670413268453,0.22395654855732985,0.24909833116304572
EOS-3-03497,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1,PYGFEHMWQGXXPO-UHFFFAOYSA-N,3,1,0.312,25,213,432.451,3.106,6,0.418,0.82,1.0,0.059094647385374545,0.06944349256390926,0.1806764443835241,0.23014186827496402,0.13483911315194297
EOS-3-03498,CCN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)cc1,KAISIQWIYKLBKH-UHFFFAOYSA-N,3,1,0.562,68,900,457.416,3.271,4,0.438,0.79,1.0,0.7156294976355287,0.5215972174628195,0.532520046604071,0.25352957302446716,0.5058190836817217
EOS-3-03499,Cc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c1,METKQLWCBWYSTJ-UHFFFAOYSA-N,3,1,0.567,0,378,449.461,3.892,5,0.463,0.8,1.0,0.6000188472345966,0.23599307792474813,0.5885734356795285,0.6246230553080666,0.5123021040367349
EOS-3-03500,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,JMDMBEOSNRIWIP-UHFFFAOYSA-N,3,1,0.269,33,432,452.482,2.419,6,0.416,0.81,1.0,0.06431190459872524,0.03018127612912069,0.011796655472551572,0.016062984031252142,0.03058820505791241
EOS-3-03501,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncn5)cn4)n23)cn1,HRCQCJOYWWSROV-UHFFFAOYSA-N,3,1,0.286,82,523,435.451,2.598,6,0.447,0.77,0.996,0.10922829141251457,0.022907956959769722,0.0682355561647591,0.09552977863066274,0.07397539579192654
EOS-3-03502,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5F)c4)n23)cc1,FZIWWTZUSFLEGG-UHFFFAOYSA-N,3,1,0.368,62,246,457.444,3.814,6,0.434,0.84,1.0,0.08463265026386128,0.21079775203892812,0.5661880611335754,0.6451065725447194,0.37668125899527105
EOS-3-03503,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4F)n23)cc1,JVAAQVUXUVXNIX-UHFFFAOYSA-N,3,1,0.506,90,536,456.84,3.589,5,0.446,0.8,1.0,0.7491176067438832,0.4762096497841135,0.6253940785415667,0.6737886368309232,0.6311274929751216
EOS-3-03504,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1,XNASIFHTRCTSCO-UHFFFAOYSA-N,3,1,0.457,89,408,439.439,1.977,5,0.421,0.79,1.0,0.4961877184565828,0.2360016448495648,0.21174011376876156,0.10384826262764718,0.26194443492563907
EOS-3-03505,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)nc1,OLNOAOLRCGMPMI-UHFFFAOYSA-N,3,1,0.439,33,53,439.439,1.977,5,0.421,0.79,1.0,0.42933143718730726,0.19197621821670893,0.1137173600164485,0.05133301350147351,0.19658950723048457
EOS-3-03506,Cc1cc(C)nc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,RICLAZFHKWOXBQ-UHFFFAOYSA-N,3,1,0.506,63,536,415.457,2.669,5,0.516,0.85,1.0,0.4153930505105887,0.14695702830511959,0.038054280035638405,0.029059008978137207,0.15736584195737097
EOS-3-03507,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nccc(-c5ccc(F)cn5)n4)n23)cc1,UNUYQOQTNXRBOA-UHFFFAOYSA-N,3,1,0.356,52,582,452.453,3.342,6,0.435,0.79,1.0,0.2710917688986361,0.1792971694880406,0.18068501130834075,0.2535381399492838,0.22115302241107532
EOS-3-03508,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)nc4)n23)cc1,QIOAACHXSRDGPX-UHFFFAOYSA-N,3,1,0.595,79,347,422.448,3.531,5,0.448,0.88,1.0,0.7491261736686999,0.1919847851415256,0.5462014255362895,0.4378383935302584,0.48128769446919334
EOS-3-03509,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)c(F)c5)n4)n23)cc1,ZYOXHOAMAYIMJY-UHFFFAOYSA-N,3,1,0.396,29,704,470.443,3.481,6,0.419,0.86,1.0,0.3058477828798574,0.3182869577136591,0.35372832568021384,0.4506031115070934,0.3571165444452059
EOS-3-03510,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccnn5C)cn4)n23)cc1F,SWUNCNGYSXBTOM-UHFFFAOYSA-N,3,1,0.39,89,412,444.43,2.878,5,0.444,0.78,1.0,0.4961962853813995,0.3471660612706463,0.4457799328353094,0.28926221643478855,0.39460112398053593
EOS-3-03511,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)n(C)n1,RBXFMKRLAKLJOU-UHFFFAOYSA-N,3,1,0.33,52,582,450.506,3.454,6,0.44,0.81,1.0,0.09681481735316291,0.03930505105887191,0.12519703927078335,0.12852957302446713,0.09746162017682133
EOS-3-03512,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nccn5C)nc4)n23)cc1,JZWGHKZLDUQVLP-UHFFFAOYSA-N,3,1,0.5,89,863,441.455,1.92,5,0.424,0.8,1.0,0.5346532108834213,0.19199335206634227,0.09538414090877939,0.0372575560276883,0.21482206497155784
EOS-3-03513,Cn1cncc1-c1nnc2cncc(-c3ccc(C(=O)N4CCc5cc(F)ccc5C4)cc3)n12,BNNAWVWMEOAGIS-UHFFFAOYSA-N,3,1,0.367,52,376,453.481,3.529,6,0.418,0.86,1.0,0.059103214310191214,0.10278596395038037,0.19410081557124254,0.317207525186759,0.16829937975464326
EOS-3-03514,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccc(Cl)c5)n4)n23)cc1,NSTHCYZSKNMZMA-UHFFFAOYSA-N,3,1,0.419,62,3,426.867,4.273,5,0.462,0.89,1.0,0.15327085189500378,0.23601021177438147,0.6770183674868069,0.7050836131862107,0.4428457610856007
EOS-3-03515,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cnn4)n23)cn1,DWDYXJLUXPRHKV-UHFFFAOYSA-N,3,1,0.301,82,974,436.439,1.992,6,0.438,0.76,0.679,0.06614522650949216,0.03328250291275444,0.04563600849838942,0.07728222877116031,0.05558649167294908
EOS-3-03516,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)cc1Cl,DWDPTRWDBBKGFJ-UHFFFAOYSA-N,3,1,0.404,66,306,474.834,3.132,5,0.473,0.77,1.0,0.2524587074223837,0.3854002467274347,0.4198906860393393,0.4664347885682955,0.3810461071893633
EOS-3-03517,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cc1,DSACVMMTDSTBFO-UHFFFAOYSA-N,3,1,0.342,25,508,435.455,2.444,6,0.414,0.8,1.0,0.13131382358988417,0.06185319717634158,0.10844013432938113,0.1264649441436502,0.10701802480981426
EOS-3-03518,CCOc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4F)n23)nc1,RBYXYWMMZMAMIA-UHFFFAOYSA-N,3,1,0.359,63,66,420.408,2.073,5,0.471,0.85,0.985,0.40409327667740386,0.32298163251319306,0.022899390034953053,0.03192892879172093,0.19547580700431771
EOS-3-03519,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nn4)n23)cn1,UVJDEDLGKVJQHZ-UHFFFAOYSA-N,3,1,0.376,52,546,452.482,2.28,6,0.407,0.81,0.867,0.03065245699403742,0.005405729559317387,0.0007110547597834281,0.001439243369200192,0.009552121170584606
EOS-3-03520,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)cn5)cc4)n23)cn1,BOUGJBLDFRXYQE-UHFFFAOYSA-N,3,1,0.337,62,204,421.464,3.583,5,0.476,0.84,1.0,0.1862363785895415,0.07321293948324309,0.3610530463984648,0.27437290110341994,0.22371881639366734
EOS-3-03521,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)ccc4-c4cccnc4)n23)cc1,VDXACHPAAYNPRB-UHFFFAOYSA-N,3,1,0.455,62,319,438.466,3.943,5,0.449,0.79,1.0,0.26578884243711876,0.2822459050099376,0.7269892399424303,0.6563977794530875,0.48285544171064354
EOS-3-03522,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4Cl)n23)cc1,RABILSYFKRMVJD-UHFFFAOYSA-N,3,1,0.573,48,378,454.317,4.569,5,0.462,0.86,1.0,0.7694040847097526,0.5972174628195462,0.6493472003289699,0.7757350421492701,0.6979259475018846
EOS-3-03523,CC1CCC(F)CN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)cn1,SZDDZXRGHIPZPU-UHFFFAOYSA-N,3,1,0.282,63,169,460.473,2.31,5,0.494,0.68,0.977,0.04462511137002262,0.05810088410664108,0.022907956959769722,0.03969912960043863,0.041333270509218006
EOS-3-03524,N#CCNC(=O)c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)cn4)n23)cc1,VAVGONUXIYRLNI-UHFFFAOYSA-N,3,1,0.333,62,837,450.437,3.308,5,0.408,0.85,1.0,0.15595229936262078,0.17930573641285724,0.5885820026043451,0.569786169556576,0.3734065519840998
EOS-3-03525,CCn1nc(C(C)(C)C)cc1COc1cncc2nnc(-c3ccc(C(=O)NC)cn3)n12,YBCNVWXKNLMPJF-UHFFFAOYSA-N,3,1,0.413,63,108,434.504,2.639,4,0.496,0.75,0.999,0.12541121239120007,0.08017784935919402,0.043871221986155846,0.0031012267836337468,0.06314037763004592
EOS-3-03526,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccn(C)n5)s4)n23)cc1,ZBAXPPAJNUIXKX-UHFFFAOYSA-N,3,1,0.396,52,740,429.509,3.204,5,0.463,0.76,1.0,0.14741107532040298,0.09941059557261325,0.21174868069357825,0.11979130971146597,0.1445904153245151
EOS-3-03527,CNC(=O)c1ccc(-c2nnc3cncc(OCc4sc(Cl)cc4Cl)n23)nc1,VJTKTKJAFDZMOL-UHFFFAOYSA-N,3,1,0.422,90,457,435.296,3.493,4,0.516,0.74,1.0,0.46648619011719555,0.4186998834898225,0.36106161332328146,0.37818689603180045,0.406108645740525
EOS-3-03528,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(C)nc5C)nc4)n23)cc1,VUZIBXFNSOIKBL-UHFFFAOYSA-N,3,1,0.38,52,357,450.506,3.211,5,0.438,0.76,1.0,0.15596086628743747,0.046741141799739566,0.22912240422178054,0.10587862380919745,0.13442575902953877
EOS-3-03529,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(C#N)nc5)c4)n23)cc1,VCBFKMULUIPNFS-UHFFFAOYSA-N,3,1,0.341,62,3,431.459,3.752,5,0.464,0.81,1.0,0.27110033582345283,0.09941916249742992,0.7163662531697622,0.6188403810568158,0.4264315331368652
EOS-3-03530,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2)nn1C,FAYOLNRXTIKAER-UHFFFAOYSA-N,3,1,0.402,62,319,423.48,3.19,5,0.468,0.82,1.0,0.1719981495442396,0.08018641628401069,0.37631930642176686,0.24463710506476596,0.21828524432869578
EOS-3-03531,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(C(F)F)n4)n23)cn1,NHVCOBBNXIQLLL-UHFFFAOYSA-N,3,1,0.524,68,127,431.79,2.85,4,0.498,0.7,1.0,0.5771023233500103,0.5775563703652937,0.6015437598519635,0.5170738811596189,0.5683190836817216
EOS-3-03532,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)cnn4)n23)cc1,IQYYRYGIAQHPRY-UHFFFAOYSA-N,3,1,0.343,74,295,453.441,2.737,6,0.431,0.78,1.0,0.18624494551435816,0.1323161537934343,0.13084264272496746,0.19248166678089232,0.16047135220341305
EOS-3-03533,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c(F)c2)nn1,GOZRUBRNQKAMLP-UHFFFAOYSA-N,3,1,0.394,13,374,442.414,2.982,5,0.439,0.77,1.0,0.6086029059008978,0.4716263450071962,0.3610701802480981,0.2803354807758207,0.43040872798300317
EOS-3-03534,NC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ccc(F)nc5)c4)n23)cn1,UIVRXSANYOINGW-UHFFFAOYSA-N,3,1,0.396,14,319,425.427,3.077,5,0.433,0.81,1.0,0.197441916249743,0.17047323692687272,0.5192670139126859,0.4968388047426496,0.3460052429579878
EOS-3-03535,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(C(F)F)c4Cl)n23)cc1,NDNYBLGRZXZKGG-UHFFFAOYSA-N,3,1,0.43,0,646,453.88,4.865,5,0.452,0.89,0.989,0.40642348022753755,0.4631450894386951,0.8383335617846618,0.872498457953533,0.6451001473511069
EOS-3-03536,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4cnc(-c5cncnn5)cn4)n23)cc1,BUVPWHVTPYDBJT-UHFFFAOYSA-N,3,1,0.39,74,707,452.438,2.118,6,0.406,0.8,1.0,0.4406911794942088,0.1359913645397848,0.05637036529367418,0.06128778013844151,0.17358517236652732
EOS-3-03537,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nc(C)cs5)c4)n23)cc1,IOPBHRKUHJMEQD-UHFFFAOYSA-N,3,1,0.365,62,3,426.505,4.25,5,0.464,0.85,1.0,0.14741964224521967,0.08370742238366116,0.3763278733465835,0.26578884243711876,0.21831094510314578
EOS-3-03538,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccncc5)cn4)n23)cc1,HYAKZFMXKZULPO-UHFFFAOYSA-N,3,1,0.473,89,731,438.451,2.582,5,0.43,0.78,1.0,0.49620485230621614,0.20594887259269412,0.29092419984922213,0.162420327599205,0.28887456308683435
EOS-3-03539,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnc(C)s5)cc4)n23)cc1,AAODGBDTTQPRMV-UHFFFAOYSA-N,3,1,0.494,62,637,443.492,3.77,5,0.441,0.83,1.0,0.597354533616613,0.3422400795010623,0.2328575834418477,0.1328815708313344,0.32633344184771435
EOS-3-03540,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(F)c5)n4)n23)c(F)c1,FGARSEXCJHOUIL-UHFFFAOYSA-N,3,1,0.386,29,704,430.378,2.687,5,0.465,0.75,1.0,0.24982009457885,0.29794051127407306,0.47379377698581315,0.4906791857994654,0.37805839215955045
EOS-3-03541,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(F)c5)ccn4)n23)cc1,QUYZYFOFPVMCHU-UHFFFAOYSA-N,3,1,0.557,1,347,454.465,3.931,5,0.418,0.86,1.0,0.6310910835446508,0.41870845041463917,0.7061716126379275,0.6067181824412309,0.5906723322596121
EOS-3-03542,OCc1cc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)ccc1Cl,YYCPDFCUWSMQES-UHFFFAOYSA-N,3,1,0.512,68,127,436.781,3.325,4,0.512,0.74,1.0,0.8438163936673292,0.9347885682955246,0.9707610856007127,0.9316787745870743,0.9202612055376602
EOS-3-03543,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)c(Cl)c1,BPAZUZKUMYLDDL-UHFFFAOYSA-N,3,1,0.416,66,9,473.846,3.737,5,0.474,0.82,1.0,0.24982866150366664,0.4187170173394558,0.7112774998286615,0.7136419710780618,0.5233662874374615
EOS-3-03544,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccnn5C)cn4)n23)cc1,IECAGVXMCMAJMO-UHFFFAOYSA-N,3,1,0.419,89,310,426.44,2.739,5,0.46,0.81,1.0,0.37549688163936673,0.14696559522993627,0.3054537043382907,0.14678568980878623,0.243675467754095
EOS-3-03545,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nc4)n23)cc1,MZLGNSNWVHQQJB-UHFFFAOYSA-N,3,1,0.529,89,656,464.489,3.115,6,0.39,0.89,1.0,0.44312418614214244,0.10279453087519703,0.18406894661092454,0.17037043382907271,0.2250895243643342
EOS-3-03546,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cc1,UUSPLLZSVHFKLU-UHFFFAOYSA-N,3,1,0.34,62,302,439.504,3.869,6,0.446,0.84,1.0,0.07403536426564321,0.04299739565485573,0.2117572476183949,0.2833767390857378,0.15304168665615792
EOS-3-03547,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5F)cn4)n23)cc1,BAINQGHYQPTPBQ-UHFFFAOYSA-N,3,1,0.457,62,417,440.438,4.144,5,0.441,0.84,1.0,0.8484596669179632,0.5034096360770338,0.7163748200945789,0.6097937084504146,0.6695094578849976
EOS-3-03548,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cc4F)n23)c(F)c1,MGMPPLUYPIUYQI-UHFFFAOYSA-N,3,1,0.4,14,319,457.444,3.477,5,0.434,0.78,1.0,0.27354190939620315,0.342248646425879,0.7347765746007813,0.6769326982386402,0.5068749571653759
EOS-3-03549,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(F)c5)no4)n23)cc1,PVFKWQCWAZYMFZ-UHFFFAOYSA-N,3,1,0.477,96,837,419.351,2.885,5,0.475,0.85,1.0,0.3083664587759578,0.31829552463847577,0.5462099924611061,0.5369577136591049,0.42745742238366113
EOS-3-03550,Cn1ncnc1-c1ccc(F)c(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,SYTPFGDIDUWODV-UHFFFAOYSA-N,3,1,0.421,61,740,428.431,2.416,5,0.459,0.73,0.986,0.15870228222877117,0.19654238914399288,0.3986104447947365,0.3296809677198273,0.27088402097183195
EOS-3-03551,CNC(=O)c1ccc(-c2nnc3cncc(Cc4nnc(C(F)(F)F)cc4C)n23)nc1,CQUFBAOCKIGJNN-UHFFFAOYSA-N,3,1,0.358,66,505,428.378,2.254,4,0.531,0.65,1.0,0.16947947364813926,0.2414587759577822,0.5122335686382017,0.2892707833596052,0.3031106504009321
EOS-3-03552,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cc1F,VZFDJPQWZUVCTC-UHFFFAOYSA-N,3,1,0.326,74,997,433.382,2.072,5,0.432,0.77,1.0,0.03572407648550476,0.155018504557604,0.4309677198272908,0.39677712288396955,0.25462185593859227
EOS-3-03553,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(OCCc5ccncc5)n4)n23)cc1,KLFQJSSLEUCPTF-UHFFFAOYSA-N,3,1,0.375,29,849,453.466,2.019,5,0.393,0.82,1.0,0.3480141868274964,0.07670824480844356,0.10049002809951339,0.04464224521965595,0.14246367623877734
EOS-3-03554,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cn1,JYTOXBUHVOEVPG-UHFFFAOYSA-N,3,1,0.364,52,916,462.517,3.435,6,0.411,0.85,1.0,0.09682338427797958,0.025186758961003357,0.1401463230758687,0.13964087451168528,0.10044933520663422
EOS-3-03555,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccnc5F)c4)n23)cn1,WGMGZZHTOBIZKD-UHFFFAOYSA-N,3,1,0.356,82,514,426.415,2.809,5,0.44,0.82,0.999,0.2927660886848057,0.23601877869919813,0.412368926050305,0.35513330135014737,0.32407177369611406
EOS-3-03556,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)c(F)c1,CKVDMNYFUOBUFX-UHFFFAOYSA-N,3,1,0.314,42,219,451.429,2.64,6,0.398,0.8,1.0,0.22515591803166335,0.2822544719347543,0.16158076896717155,0.22124083339044617,0.22255799808100885
EOS-3-03557,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(-c5cncnc5)n4)n23)cc1F,KIUCUVKGYRJLNT-UHFFFAOYSA-N,3,1,0.35,74,768,460.86,3.462,5,0.437,0.84,0.999,0.29824035364265644,0.37120485230621614,0.5790984168322939,0.5793725584264272,0.45697904530189837
EOS-3-03558,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4Cl)n23)cc1,HJTXFRSUUFEFQV-UHFFFAOYSA-N,3,1,0.408,66,264,473.846,3.737,5,0.443,0.85,0.999,0.3936758961003358,0.46315365636351175,0.5885905695291618,0.5569786169556576,0.5005996847371668
EOS-3-03559,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nncc(C5CCC5)n4)n23)cn1,LQTUMHUZPXUWNV-UHFFFAOYSA-N,3,1,0.402,63,66,443.471,2.11,6,0.456,0.77,1.0,0.32621136316907684,0.14697416215475292,0.001430676444383524,0.0035552737989171406,0.1195428688917826
EOS-3-03560,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)cc1,MNFDVENZDLNWLP-UHFFFAOYSA-N,3,1,0.262,64,495,433.439,2.501,6,0.412,0.83,1.0,0.09925639092591323,0.05039065177164005,0.07477211979987664,0.11517373723528203,0.08489822493317799
EOS-3-03561,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncc(F)c5)nc4)n23)cc1,COZURUJOXXJLAK-UHFFFAOYSA-N,3,1,0.388,52,916,465.492,3.87,6,0.409,0.87,1.0,0.20572613254746078,0.17515934480159,0.39487526557466934,0.44765608937015966,0.30585420807346997
EOS-3-03562,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1,ZVVKZWTZIZVHJD-UHFFFAOYSA-N,3,1,0.309,52,269,436.479,3.146,6,0.454,0.77,1.0,0.10433657734219724,0.025195325885820026,0.1308512096497841,0.15981598245493797,0.10504977383318484
EOS-3-03563,N#Cc1ccc(C(Br)c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,MYFNUROSDUBMGI-UHFFFAOYSA-N,3,1,0.456,0,862,473.334,4.039,5,0.442,0.88,1.0,0.2844904393119046,0.277157151668837,0.7138218764992118,0.7295250496881639,0.5012486292920293
EOS-3-03564,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncnn5C)c4)n23)cc1,DBBFEFMARVVUQG-UHFFFAOYSA-N,3,1,0.529,89,637,440.467,2.525,5,0.432,0.8,1.0,0.4502175998903434,0.16265163456925502,0.2614882461791515,0.13964944143650196,0.253501730518813
EOS-3-03565,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)nn4)n23)cc1,RZZFOXOFBZEKNR-UHFFFAOYSA-N,3,1,0.571,62,504,468.452,2.999,5,0.406,0.86,1.0,0.2817747241450209,0.29296312795558904,0.31652217120142556,0.23015043519978068,0.280352614625454
EOS-3-03566,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6COC6)cc5)n34)c2)cn1,DMQDNFPABLQDFU-UHFFFAOYSA-N,3,1,0.314,74,738,452.478,2.382,6,0.436,0.77,1.0,0.0869457199643616,0.0332910698375711,0.34592385717222945,0.26579740936193547,0.18298951408402442
EOS-3-03567,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)cc4C)n23)nc1,KMAZFHITSZIALH-UHFFFAOYSA-N,3,1,0.297,82,523,422.452,2.978,5,0.474,0.8,0.986,0.13381536563635119,0.05039921869645672,0.26492358303063535,0.1815845384140909,0.15768067644438355
EOS-3-03568,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)s1,MXMPVFHPZGCSMN-UHFFFAOYSA-N,3,1,0.324,52,295,442.508,3.208,6,0.448,0.8,1.0,0.12541977931601672,0.08019498320882736,0.040907065999588786,0.06129634706325817,0.07695454389692276
EOS-3-03569,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)cn4)n23)cc1,YJAJCCJYHTVFRB-UHFFFAOYSA-N,3,1,0.457,89,731,439.439,1.977,5,0.421,0.77,1.0,0.5062709889658008,0.22088958947296278,0.15834247138647112,0.08081180179562744,0.24157871290521554
EOS-3-03570,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccc(Cl)cc4)n23)cc1,FMSQPFSAKAQZBC-UHFFFAOYSA-N,3,1,0.376,62,124,443.898,3.872,5,0.455,0.79,1.0,0.15064937290110342,0.2979490781988897,0.5462185593859228,0.5267031046535535,0.3803800287848674
EOS-3-03571,CC(C)(c1cc(F)cc(F)n1)c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,UEHVEARDPMAINR-UHFFFAOYSA-N,3,1,0.416,0,334,434.45,3.683,5,0.485,0.82,1.0,0.3006133918168734,0.24146734288259886,0.5427146871359056,0.4632478925364951,0.38701082859296826
EOS-3-03572,Cc1c(-c2ccnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c2)cnn1C,AVIBAHMVZSHFLY-UHFFFAOYSA-N,3,1,0.298,82,974,451.494,2.849,6,0.437,0.79,1.0,0.04025597971352204,0.03329963676238777,0.05082756493729011,0.05255808375025701,0.04423531629086423
EOS-3-03573,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4Oc4ccc(F)cc4)n23)cc1,QNXMLIZOQHIZAL-UHFFFAOYSA-N,3,1,0.435,62,139,441.426,3.539,5,0.445,0.82,1.0,0.5945788499760126,0.5493283530943732,0.47380234391062986,0.38421801110273457,0.5004818895209375
EOS-3-03574,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)ccc5F)cc4)n23)cc1,GVULZQMLSUBSPX-UHFFFAOYSA-N,3,1,0.381,62,3,438.466,4.327,5,0.452,0.86,1.0,0.24410595572613256,0.2564080597628675,0.6959684051812761,0.5917089301624289,0.44704783770817624
EOS-3-03575,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)cc5)n4)n23)cc1,VSUUJHBMYWAGEX-UHFFFAOYSA-N,3,1,0.373,62,124,442.87,3.323,5,0.454,0.76,1.0,0.18625351243917485,0.33709135768624493,0.3763364402714002,0.4060722363100541,0.32643838667671854
EOS-3-03576,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(OC)C5)nc4)n23)nc1,QMQQZFIKAOONAW-UHFFFAOYSA-N,3,1,0.27,63,686,458.482,1.469,5,0.476,0.77,1.0,0.0402645466383387,0.0045576040024672745,0.00582550887533411,0.005834075800150778,0.014120433829072717
EOS-3-03577,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cc1,UCDSGJINHPKKGG-UHFFFAOYSA-N,3,1,0.385,62,3,425.427,3.414,5,0.474,0.78,1.0,0.3032605715852238,0.2014598039887602,0.5462271263107394,0.4506116784319101,0.3753897950791584
EOS-3-03578,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C(F)F)nc(C)c4F)n23)nc1,UDMZPFMPGFFSMU-UHFFFAOYSA-N,3,1,0.396,68,457,443.389,2.905,4,0.488,0.71,0.988,0.554982523473374,0.43682749640189156,0.637276403262285,0.41587279830032214,0.5112398053594681
EOS-3-03579,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)cn1,SMEGSFCNNHMGIM-UHFFFAOYSA-N,3,1,0.5,68,127,430.35,1.934,4,0.51,0.68,1.0,0.5660852580357755,0.507941539305051,0.6015523267767802,0.3232386402576931,0.49970444109382495
EOS-3-03580,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5conn5)c4)n23)cc1,ZVGBSYXZNBGOAL-UHFFFAOYSA-N,3,1,0.329,62,302,423.436,3.401,6,0.461,0.85,1.0,0.18350352957302446,0.06186176410115825,0.22539579192653006,0.2861952573504215,0.18923908573778356
EOS-3-03581,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)cc1,ROQWXSAKYXDBKV-UHFFFAOYSA-N,3,1,0.361,25,791,450.441,3.245,6,0.402,0.83,1.0,0.21959598382564594,0.3183040915632924,0.3202659173463094,0.42228085806318966,0.32011171269960936
EOS-3-03582,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nncn5C)ccc4OC)n23)cn1,IMWVFMPKDRZUSC-UHFFFAOYSA-N,3,1,0.341,82,336,441.455,2.017,5,0.439,0.8,1.0,0.3288242752381605,0.1059985607566308,0.1169642245219656,0.048762936056473166,0.15013749914330754
EOS-3-03583,Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1Cl,SWSGLXKFNVJZDI-UHFFFAOYSA-N,3,1,0.436,0,646,417.9,4.236,5,0.527,0.9,1.0,0.3755054485641834,0.3229901994380097,0.49434582962099927,0.5947073538482627,0.44688720786786373
EOS-3-03584,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cc4)n23)c(F)c1,LZOUTWNNARCRKL-UHFFFAOYSA-N,3,1,0.429,66,646,425.414,4.209,4,0.502,0.8,0.998,0.4064320471523542,0.5122592694126517,0.9053354807758207,0.8511753820848468,0.6688005448564184
EOS-3-03585,CNC(=O)c1ccc(-c2nnc3cncc(-c4noc(-c5ccc(Cl)nc5)n4)n23)cc1,JABZOIVIUPNGNC-UHFFFAOYSA-N,3,1,0.378,74,333,432.831,2.916,5,0.43,0.82,1.0,0.2221917620450963,0.25641662668768417,0.21834521280241245,0.2128452470701117,0.22744971215132614
EOS-3-03586,CCn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)ccn2)cn1,IDSCVFUWHXGZIS-UHFFFAOYSA-N,3,1,0.292,82,974,451.494,3.024,6,0.422,0.81,1.0,0.05381742169830717,0.03330820368720444,0.04887430607908985,0.05978856829552464,0.048947124940031526
EOS-3-03587,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cccnc5F)ccn4)n23)cc1,SKPLHZZCGGESBQ-UHFFFAOYSA-N,3,1,0.406,14,357,425.427,3.077,5,0.433,0.82,1.0,0.29277465560962235,0.20146837091357686,0.5695205948872593,0.4936433417860325,0.3893517407991227
EOS-3-03588,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cc4)n23)cn1,QMSMHXLWZGWQSN-UHFFFAOYSA-N,3,1,0.375,14,319,422.452,2.594,5,0.463,0.79,1.0,0.19201905284079226,0.07322150640805976,0.2328661503666644,0.17323178671783976,0.16783462408333905
EOS-3-03589,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(Cl)c5)cn4)n23)cc1,YQEVWQUIASSOCO-UHFFFAOYSA-N,3,1,0.409,74,837,428.843,3.063,5,0.436,0.83,1.0,0.14462682475498595,0.19655095606880954,0.4634534987320951,0.45062024535672673,0.3138128812281543
EOS-3-03590,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)c1,ZYMFGGFDVVCQHQ-UHFFFAOYSA-N,3,1,0.307,39,176,437.402,2.63,6,0.441,0.75,0.627,0.18926050304982522,0.22616681516003015,0.14921012953190324,0.2504197793160167,0.20376430676444385
EOS-3-03591,Cn1cc(-c2cncc(-c3nnc4cncc(CNc5ccc(F)c(Cl)c5)n34)c2)cn1,HGMIIHPXNMGCTP-UHFFFAOYSA-N,3,1,0.344,2,884,434.866,3.991,5,0.45,0.85,1.0,0.052249674456856965,0.16266020149407168,0.7704235487629361,0.7557141388527174,0.4352618908916456
EOS-3-03592,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)c2)cn1,NTNQVINLEHJTNQ-UHFFFAOYSA-N,3,1,0.312,74,295,455.457,2.68,6,0.433,0.75,1.0,0.11180693578233157,0.1664896168871222,0.22540435885134671,0.2774569940374203,0.19528947638955518
EOS-3-03593,Cc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)nn1,ROKVTBCGFGSZGW-UHFFFAOYSA-N,3,1,0.33,62,302,447.502,4.116,6,0.435,0.84,1.0,0.14742820917003632,0.058109451031457746,0.264932149955452,0.29841169213898977,0.19222037557398397
EOS-3-03594,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cn4)n23)cn1,FIEHTATVPTWFME-UHFFFAOYSA-N,3,1,0.352,82,204,444.405,2.948,5,0.424,0.8,1.0,0.28449900623672125,0.27716571859365363,0.5393650195325885,0.4785227194846138,0.39488811596189427
EOS-3-03595,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)cnc5F)nc4)n23)cn1,LJAVBOHAHVDQRY-UHFFFAOYSA-N,3,1,0.356,82,514,444.405,2.948,5,0.424,0.8,1.0,0.30837502570077446,0.282263038859571,0.504900280995134,0.4443578233157426,0.3849740422178055
EOS-3-03596,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncn5C)nc4)n23)cc1,QMLCPJSHCKTZPX-UHFFFAOYSA-N,3,1,0.517,89,707,441.455,1.92,5,0.424,0.81,1.0,0.5012764717976835,0.15877938455212118,0.14015489000068534,0.05685011308340758,0.2142652148584744
EOS-3-03597,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)c(F)c1F,YQWOAKHKWHASCM-UHFFFAOYSA-N,3,1,0.31,22,26,450.384,2.816,5,0.452,0.73,0.998,0.06087656774724145,0.2564251936125009,0.6493557672537866,0.6507778767733534,0.40435885134672056
EOS-3-03598,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnccn5)s4)n23)cc1,XCMXEYQLUJJVFM-UHFFFAOYSA-N,3,1,0.4,85,357,427.493,3.26,5,0.462,0.79,1.0,0.19202761976560895,0.09640360496196286,0.24352340483859913,0.16242889452402165,0.17359588102254817
EOS-3-03599,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnn5)c4)n23)cc1,XNFCUSMWRQQOBL-UHFFFAOYSA-N,3,1,0.39,52,916,466.48,3.265,6,0.409,0.83,1.0,0.23614728257144815,0.1877013227331917,0.3537368926050305,0.4158813652251388,0.2983667157837023
EOS-3-03600,CCn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NC)cc5)n34)c2)cn1,OOIQPBCSEMODJC-UHFFFAOYSA-N,3,1,0.37,62,124,441.47,3.84,5,0.448,0.83,1.0,0.20865602083476115,0.2515163456925502,0.594904393119046,0.472688643684463,0.3819413508327051
EOS-3-03601,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncon5)c4)n23)cc1,GZHXJLNZKKPNDJ-UHFFFAOYSA-N,3,1,0.494,89,731,428.412,2.175,5,0.432,0.82,1.0,0.5421578370228223,0.22089815639777946,0.19410938249605922,0.09745733671441299,0.26365567815776847
EOS-3-03602,Cc1ccc(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(F)c2)n1,ZOZJBTCOWRBOPG-UHFFFAOYSA-N,3,1,0.421,62,3,442.429,4.206,5,0.45,0.84,1.0,0.2735504763210198,0.26165101775066824,0.8260143238982934,0.7711174696730861,0.5330833219107669
EOS-3-03603,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5ccnnc5)c4)n23)nc1,ZJDQOLAPRXCTMC-UHFFFAOYSA-N,3,1,0.311,96,523,426.415,2.809,5,0.47,0.76,1.0,0.1892690699746419,0.1509749160441368,0.5049088479199506,0.45062881228154344,0.3239454115550682
EOS-3-03604,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(Cl)ccc5F)nn4)n23)cc1C,LFTFVVAMKIEBAU-UHFFFAOYSA-N,3,1,0.321,22,997,462.876,3.5,5,0.438,0.83,1.0,0.07609142622164349,0.22617538208484683,0.5325286135288877,0.5403844835857721,0.34379497635528755
EOS-3-03605,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)cc1Cl,RSPIMFKLHNCDHC-UHFFFAOYSA-N,3,1,0.37,61,124,458.913,3.75,5,0.43,0.83,1.0,0.17765231992324035,0.29297169488040575,0.29455657597148927,0.28620382427523816,0.26284610376259343
EOS-3-03606,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)cc(F)c5)ns4)n23)cn1,RAWCKYGOEWWZGX-UHFFFAOYSA-N,3,1,0.358,82,155,450.434,3.01,5,0.448,0.77,1.0,0.19745048317455965,0.25643376053731753,0.2254129257761634,0.2594750188472346,0.23469304708381877
EOS-3-03607,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cc1,JJCSATJUOMMCHF-UHFFFAOYSA-N,3,1,0.352,25,508,435.455,2.444,6,0.414,0.8,1.0,0.09683195120279624,0.0430059625796724,0.10049859502433006,0.12209581248714961,0.09060808032348708
EOS-3-03608,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccnc(F)c5)c4)n23)cc1F,AKRHPKCJZORLRV-UHFFFAOYSA-N,3,1,0.333,96,648,443.417,3.553,5,0.427,0.82,1.0,0.30062195874169007,0.2719998629292029,0.7882256185319718,0.7377407305873483,0.5246470426975532
EOS-3-03609,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc1,NZDZNNIXJQJUOE-UHFFFAOYSA-N,3,1,0.282,63,108,414.429,1.5,5,0.507,0.9,0.999,0.119971215132616,0.046749708724556235,0.02173428825988623,0.014906449181001988,0.050840415324515116
EOS-3-03610,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)nc(C)n4)n23)cn1,CKFVSVHYBDGGRC-UHFFFAOYSA-N,3,1,0.368,50,155,442.418,1.907,5,0.442,0.75,0.998,0.20301041738057707,0.1833407580015078,0.09098074155301213,0.05685868000822425,0.1335476492358303
EOS-3-03611,O=C(O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)nc1,VRFOZRFBWOSSJG-UHFFFAOYSA-N,3,1,0.33,38,787,429.827,3.662,5,0.459,0.82,1.0,0.22805153861969707,0.13983791378246865,0.49796107189363303,0.46644335549311217,0.33307346994722775
EOS-3-03612,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cccnn5)cn4)n23)cc1F,PFGOWCXDVURVBL-UHFFFAOYSA-N,3,1,0.386,85,60,441.43,2.128,5,0.44,0.71,1.0,0.28178329106983757,0.26686827496401894,0.23287471729148104,0.192490233705709,0.2435041292577616
EOS-3-03613,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nn4)n23)cc1,OBXQVNYXCYLYRG-UHFFFAOYSA-N,3,1,0.323,52,295,437.467,2.541,6,0.449,0.75,1.0,0.13382393256116784,0.058118017956274415,0.048882873003906514,0.07538037146186005,0.0790512987458022
EOS-3-03614,COc1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5F)c(F)c4)n23)cn1,QQXYEOSWVZZAMR-UHFFFAOYSA-N,3,1,0.446,63,306,438.394,2.967,5,0.494,0.71,1.0,0.6338839010348846,0.47621821670893016,0.7585669248166678,0.5884877664313618,0.614289202247961
EOS-3-03615,CCn1ncnc1-c1nc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ccc1F,AOZNBYUAROWFPT-UHFFFAOYSA-N,3,1,0.398,74,768,429.419,2.37,5,0.454,0.82,1.0,0.18351209649784114,0.18770988965800836,0.08386162703036118,0.08419573709821122,0.1348198375711055
EOS-3-03616,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5nc(C)ccc5C)c4)n23)cc1,WKOTUJQWWMZZFE-UHFFFAOYSA-N,3,1,0.333,62,139,435.491,3.892,5,0.46,0.8,1.0,0.24170721677746557,0.0467582756493729,0.37634500719621683,0.2271691453635803,0.22299491124665888
EOS-3-03617,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cc1)N1CCCC1,XPPVXJJYHWPEOJ-UHFFFAOYSA-N,3,1,0.378,52,376,447.502,4.151,6,0.411,0.88,1.0,0.04596155164142279,0.008532657117401138,0.020911863477486123,0.09958193406894661,0.043747001576314164
EOS-3-03618,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)nc1,RDNVFULHIDKENT-UHFFFAOYSA-N,3,1,0.32,10,654,451.429,2.64,6,0.398,0.81,1.0,0.1227383318483997,0.24147590980741554,0.1429648413405524,0.24179288602563223,0.18724299225549995
EOS-3-03619,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(F)ccc4OC(F)F)n23)cc1,QYQRASUNSWBCOO-UHFFFAOYSA-N,3,1,0.422,0,999,439.397,4.091,5,0.49,0.81,0.837,0.6913422657802755,0.812410047289425,0.8225361524227264,0.8439620313892126,0.7925626242204098
EOS-3-03620,Cn1cncc1-c1cccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,NCVNCPBQAPAHRP-UHFFFAOYSA-N,3,1,0.346,52,647,450.506,3.07,6,0.427,0.79,0.999,0.06088513467205812,0.03931361798368858,0.1370022616681516,0.16243746144883833,0.09990961894318415
EOS-3-03621,CS(=O)(=O)c1cnc(-c2cncc3nnc(-c4ccnc(-c5ccc(F)cc5)c4)n23)nc1,PGVDNUAPZZWLIC-UHFFFAOYSA-N,3,1,0.372,96,856,447.455,2.853,5,0.413,0.8,1.0,0.2168117332602289,0.3854088136522514,0.33124014803646085,0.4189997258584059,0.33811510520183674
EOS-3-03622,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(F)c5)cn4)n23)cn1,XAASVVQUSCGHDF-UHFFFAOYSA-N,3,1,0.468,4,205,456.441,2.721,5,0.414,0.81,1.0,0.5973631005414296,0.44087965184017547,0.3054622712631074,0.23894010006168187,0.3956612809265986
EOS-3-03623,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)n5)cn4)n23)cn1,HPZOFSGYCYBHSX-UHFFFAOYSA-N,3,1,0.39,82,514,427.403,2.204,5,0.463,0.74,1.0,0.21682030018504558,0.20147693783839354,0.214875608251662,0.16762045096292236,0.20019832430950585
EOS-3-03624,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)n4)n23)cc1,NHJSDCFIVIIHKL-UHFFFAOYSA-N,3,1,0.484,89,731,438.451,2.582,5,0.43,0.76,1.0,0.47406791857994657,0.19200191899115893,0.21488417517647865,0.12210437941196628,0.2507645980398876
EOS-3-03625,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(F)c5F)nn4)n23)cc1,LRGNHEKCOLTETR-UHFFFAOYSA-N,3,1,0.418,62,331,445.389,3.418,5,0.44,0.79,1.0,0.5188043999725859,0.5034182030018505,0.7112860667534782,0.6393495990679186,0.5932145671989583
EOS-3-03626,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)cc1,TWKHLGMYLOUQMT-UHFFFAOYSA-N,3,1,0.554,89,805,424.424,2.321,5,0.439,0.81,1.0,0.622652662600233,0.15098348296895348,0.3054708381879241,0.19772462476869304,0.3192079021314509
EOS-3-03627,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cc1,GBSYVOCEUIJLHI-UHFFFAOYSA-N,3,1,0.37,52,582,451.465,3.947,6,0.435,0.84,1.0,0.23061304913988076,0.1965595229936262,0.3911229525049688,0.4570026043451443,0.318824532245905
EOS-3-03628,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccn5)n4)n23)cc1,HCLDIZRPEGPWPY-UHFFFAOYSA-N,3,1,0.321,74,139,422.452,3.06,5,0.463,0.83,1.0,0.1284010691522171,0.03331677061202111,0.15226852169145363,0.09746590363922966,0.10286306627373037
EOS-3-03629,COc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,IMKZLCQAVKMDQB-UHFFFAOYSA-N,3,1,0.33,52,582,464.489,3.211,6,0.407,0.85,1.0,0.32107120827907615,0.10600712768144747,0.11973990816256597,0.10162086217531355,0.16210977657460077
EOS-3-03630,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cscn5)n4)n23)cc1,CKIYFNJMCNODMW-UHFFFAOYSA-N,3,1,0.337,52,423,439.504,3.869,6,0.446,0.8,1.0,0.07214207388115962,0.06187033102597492,0.12793845521211705,0.1757761633883901,0.10943175587691042
EOS-3-03631,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc(C(F)(F)F)n1,ZRUXHIIRPOEQFY-UHFFFAOYSA-N,3,1,0.608,68,900,421.77,3.536,4,0.497,0.79,1.0,0.972945651428963,0.9764238229045302,0.7191762045096293,0.6188489479816325,0.8218486567061888
EOS-3-03632,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1,VQSYOEQMGIMYIK-UHFFFAOYSA-N,3,1,0.362,67,289,438.43,2.974,6,0.417,0.79,1.0,0.04316016722637242,0.2059574395175108,0.27990713453498733,0.3424371187718457,0.21786546501267906
EOS-3-03633,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)n5)nn4)n23)nc1,XOAKHWGVNLCIRM-UHFFFAOYSA-N,3,1,0.278,33,432,442.418,1.86,6,0.409,0.82,0.991,0.04027311356315537,0.09315674045644576,0.038062846960455074,0.07729079569597697,0.06219587416900829
EOS-3-03634,Cc1ccccc1-c1cnc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)nc1,BDMLORMQOADBKG-UHFFFAOYSA-N,3,1,0.424,89,348,438.451,2.63,5,0.428,0.81,1.0,0.4086166129806045,0.1398464807072853,0.197570420121993,0.13060276883010075,0.2191590706599959
EOS-3-03635,NC(=O)c1ccc(-c2nnc3cncc(-c4nccc(-c5cnc(F)cn5)n4)n23)cc1F,XVOBZPUARNMLGP-UHFFFAOYSA-N,3,1,0.345,50,155,431.366,2.082,5,0.456,0.72,0.952,0.22806010554451375,0.22090672332259612,0.327445000342677,0.3264255362894935,0.27570934137482006
EOS-3-03636,CCc1c(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ccnc1C(F)(F)F,IYCLDAIFQIJHSY-UHFFFAOYSA-N,3,1,0.424,66,264,426.402,3.457,4,0.527,0.73,1.0,0.3163165650058255,0.3229987663628264,0.8317284627510109,0.6188575149064491,0.522475327256528
EOS-3-03637,Cc1cc(C)c(Cl)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)n1,PXLVUDKMFKUKQT-UHFFFAOYSA-N,3,1,0.327,63,306,436.878,4.155,5,0.519,0.78,1.0,0.2441145226509492,0.2771742855184703,0.36476252484408195,0.49365190871084913,0.3449258104310876
EOS-3-03638,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cn4)n23)cn1,FZTQYZCGPIUXHP-UHFFFAOYSA-N,3,1,0.372,96,204,425.427,3.414,5,0.474,0.79,1.0,0.24171578370228222,0.2616595846754849,0.4911675005140155,0.47559283119731344,0.367533925022274
EOS-3-03639,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4F)n23)c(Cl)c1,XGFIERKVIZPOTN-UHFFFAOYSA-N,3,1,0.434,66,225,446.82,3.867,4,0.47,0.73,1.0,0.33373312315811116,0.48942841477623195,0.8881245288191351,0.8361147282571448,0.6368501987526558
EOS-3-03640,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)nc4)n23)c(Cl)c1,MVUVILPVRGUVDP-UHFFFAOYSA-N,3,1,0.352,74,333,444.886,3.267,5,0.456,0.75,1.0,0.13132239051470085,0.2414844767322322,0.49117606743883213,0.41900829278322255,0.3207478068672469
EOS-3-03641,N#Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccc1F,VOSWUGSTGBJFBC-UHFFFAOYSA-N,3,1,0.406,63,505,413.416,2.68,5,0.539,0.86,1.0,0.17200671646905627,0.21080631896374477,0.38762764717976833,0.4726972106092797,0.31078447330546227
EOS-3-03642,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5nnnn5C)cc4F)n23)cc1F,RNRZWQAJYDXBDN-UHFFFAOYSA-N,3,1,0.343,61,413,448.397,1.682,5,0.44,0.71,1.0,0.2845075731615379,0.27718285244328694,0.20818483996984444,0.22124940031526283,0.24778116647248302
EOS-3-03643,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(F)c(C5CC5)n4)n23)cc1,QWIGQUOXVCRHJF-UHFFFAOYSA-N,3,1,0.384,63,437,415.432,3.157,6,0.538,0.88,1.0,0.2789733397299705,0.20596600644232746,0.027002947022136934,0.10802892193818107,0.15499280378315397
EOS-3-03644,CCOCc1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)cc1,OFGOYPHJUZOACS-UHFFFAOYSA-N,3,1,0.538,66,12,430.39,3.716,4,0.442,0.88,1.0,0.7638612843533685,0.7360359125488315,0.9074515112055377,0.7455194983208827,0.788217051607155
EOS-3-03645,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(F)c5)cn4)n23)nc1,BNMRIPAVSMWIBT-UHFFFAOYSA-N,3,1,0.292,33,432,453.441,2.737,6,0.403,0.83,0.999,0.15871084915358782,0.1704818038516894,0.14016345692550203,0.2006545130559934,0.16750265574669315
EOS-3-03646,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)no4)n23)cc1,CLEBNPCXZNRCTA-UHFFFAOYSA-N,3,1,0.349,74,333,446.858,3.306,5,0.408,0.85,1.0,0.29001610581865533,0.31306113357549176,0.17451682544033995,0.167629017887739,0.2363057706805565
EOS-3-03647,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cncnc5)n4)n23)cn1,MIGWABUIUOBNLN-UHFFFAOYSA-N,3,1,0.348,82,155,441.43,2.594,5,0.441,0.76,0.961,0.23334589815639778,0.27200842985401963,0.1745253923651566,0.14420704543896923,0.2060216914536358
EOS-3-03648,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccn(C)c5F)c(F)c4)n23)cn1,OAHLITPHKSYXGM-UHFFFAOYSA-N,3,1,0.356,96,204,445.433,3.497,5,0.457,0.77,1.0,0.3523233500102803,0.29795764512370637,0.7269978068672469,0.647873689260503,0.5062881228154341
EOS-3-03649,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)cn5)ncn4)n23)cc1,HACMGLHWIICMSH-UHFFFAOYSA-N,3,1,0.454,89,463,453.466,2.285,5,0.411,0.79,1.0,0.42711260365979026,0.18334932492632444,0.1679031594818724,0.06779864299910904,0.21154093276677405
EOS-3-03650,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)nn1,FJXQSLDVKMBBQX-UHFFFAOYSA-N,3,1,0.395,85,740,423.44,2.036,5,0.453,0.77,1.0,0.12274689877321637,0.04301452950448907,0.10571585223768076,0.06780720992392571,0.08482112260982798
EOS-3-03651,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccccn5)n4)n23)nc1,LDDBODLXWNVWBS-UHFFFAOYSA-N,3,1,0.343,33,432,436.439,1.992,6,0.438,0.75,0.874,0.07215064080597629,0.020680556507436092,0.016594133369885546,0.03084949626482078,0.03506870673702968
EOS-3-03652,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)c(Cl)c1,AEIJVQZROPIDBM-UHFFFAOYSA-N,3,1,0.5,90,555,444.282,3.217,4,0.455,0.76,1.0,0.6226612295250497,0.5676615722020424,0.41237749297512166,0.3781954629566171,0.49522393941470766
EOS-3-03653,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)ncc1F,DMKMUOYTHOZPER-UHFFFAOYSA-N,3,1,0.3,52,523,466.48,3.65,6,0.421,0.86,1.0,0.19464053183469263,0.1920104859159756,0.16472483037488864,0.20962408333904461,0.19024998286615036
EOS-3-03654,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnccc5F)cn4)n23)cc1,UEGJVXNMGSNKMU-UHFFFAOYSA-N,3,1,0.396,52,916,465.492,3.87,6,0.409,0.87,1.0,0.20573469947227743,0.18771845658282502,0.4123860598999383,0.4756013981221301,0.3203601535192927
EOS-3-03655,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(OCc3cc(C)n(C)n3)n12,QAYJCTPUOFZTMA-UHFFFAOYSA-N,3,1,0.424,63,536,417.473,2.613,5,0.518,0.84,1.0,0.15327941881982043,0.1028030978000137,0.04564457542320609,0.029932835309437324,0.08291498183811939
EOS-3-03656,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)c4)n23)cn1,QUTUKJMMLDFYHN-UHFFFAOYSA-N,3,1,0.457,55,879,438.451,2.582,5,0.43,0.81,1.0,0.5394506887807553,0.24149304365704888,0.22913097114659722,0.13730210403673498,0.2868442019052841
EOS-3-03657,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nncn5C)cc4)n23)cc1,JJNHOQLUGQTHAA-UHFFFAOYSA-N,3,1,0.55,89,637,440.467,2.525,5,0.432,0.81,1.0,0.544822150640806,0.1877270235076417,0.287420327599205,0.15982454937975465,0.29494851278185186
EOS-3-03658,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nn5)cc4)n23)cc1,VZFAQJAQVBRVEM-UHFFFAOYSA-N,3,1,0.354,62,3,421.464,3.583,5,0.476,0.82,1.0,0.18071927900760743,0.07323007333287643,0.4422246590363923,0.32018881502295937,0.2540907065999589
EOS-3-03659,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cnn4)n23)cc1F,OPEZODKIPJKSPR-UHFFFAOYSA-N,3,1,0.295,74,295,453.441,2.737,6,0.431,0.77,0.974,0.15328798574463712,0.17049037077650606,0.24709581248714962,0.33296209992461107,0.22595906723322595
EOS-3-03660,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)nc4)n23)cn1,VRONJWPMEKRWRE-UHFFFAOYSA-N,3,1,0.352,63,169,414.429,1.454,5,0.537,0.86,1.0,0.0992649578507299,0.027422726338153656,0.0016791172640668905,0.001079432526900144,0.03236155849496265
EOS-3-03661,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccccc4-c4nnnn4C)n23)cc1,DSLXNWNCCOOSLD-UHFFFAOYSA-N,3,1,0.548,89,402,441.455,1.92,5,0.424,0.84,1.0,0.4888115961894318,0.21081488588856145,0.11372592694126517,0.06781577684874238,0.2202920464670002
EOS-3-03662,COC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCCF)cn4)n23)nn1,VCESYFFHHANPHK-UHFFFAOYSA-N,3,1,0.294,63,108,422.38,1.129,4,0.453,0.81,1.0,0.12542834624083338,0.03332533753683778,0.023790350215886505,0.007230484545267631,0.04744362963470632
EOS-3-03663,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncccn5)n4)n23)cc1,QUOUHMGBTITIGA-UHFFFAOYSA-N,3,1,0.495,89,770,439.439,1.977,5,0.421,0.77,1.0,0.49870639435268316,0.2360273456240148,0.08864197107806182,0.03726612295250497,0.2151604585018162
EOS-3-03664,N#CCNC(=O)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccnnc5)cn4)n23)cc1,CAAPUNDSEPPIAT-UHFFFAOYSA-N,3,1,0.278,74,333,434.423,1.959,5,0.41,0.81,1.0,0.08695428688917826,0.018744431498869167,0.26494071688026866,0.2096326502638613,0.14506802138304437
EOS-3-03665,Cn1ncc(-c2ncc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)s2)n1,NSVJUFNLDAYDRT-UHFFFAOYSA-N,3,1,0.358,52,916,457.523,2.526,6,0.416,0.82,0.976,0.08464121718867795,0.043023096429305734,0.013338701939551778,0.016071550956068808,0.03926864162840107
EOS-3-03666,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cc4F)n23)cc1,DTYDNFBXXBHREI-UHFFFAOYSA-N,3,1,0.494,43,637,455.453,3.326,5,0.418,0.82,1.0,0.8218764992118429,0.4584932492632445,0.6465629497635529,0.5100747035844013,0.6092518504557604
EOS-3-03667,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)c(F)c4)n23)cc1,MZNPICLVINYMCU-UHFFFAOYSA-N,3,1,0.404,62,3,424.439,4.019,5,0.471,0.85,1.0,0.25748749228976764,0.2261839490096635,0.7903930505105887,0.7268264683709136,0.5002227400452334
EOS-3-03668,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,VJOZJYARODRKPZ-UHFFFAOYSA-N,3,1,0.356,82,514,426.415,2.809,5,0.44,0.81,1.0,0.2711089027482695,0.2209152902474128,0.394883832499486,0.3264341032143102,0.30333553217736964
EOS-3-03669,CCn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)cn1,SGPXJSLACZYGOE-UHFFFAOYSA-N,3,1,0.271,33,432,451.494,3.024,6,0.422,0.81,0.999,0.04597011856623946,0.03018984305393736,0.06019978068672469,0.06954629566170928,0.0514765094921527
EOS-3-03670,COCCc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(Cl)n1,HVPPFVQACNTRLP-UHFFFAOYSA-N,3,1,0.356,0,862,448.914,3.588,5,0.434,0.87,1.0,0.30326913851004045,0.20597457336714414,0.2045438969227606,0.2743814680282366,0.24704226920704547
EOS-3-03671,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)n5)nc4)n23)cc1,LFVRFTWUMIYYMK-UHFFFAOYSA-N,3,1,0.315,52,582,452.453,3.342,6,0.407,0.82,1.0,0.1862620793639915,0.15878795147693783,0.1905798094715921,0.2658059762867521,0.2003589541498184
EOS-3-03672,Cn1cc(-c2ccccn2)c(-c2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)n1,ANKMCVRXGFTFQM-UHFFFAOYSA-N,3,1,0.437,52,229,466.505,2.726,6,0.401,0.86,1.0,0.01509492152696868,0.0021245973545336166,0.007530326913851004,0.018358919882119115,0.010777191419368105
EOS-3-03673,CC(C)(O)Cc1cc(F)c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,HUXYJXYNNUBJHE-UHFFFAOYSA-N,3,1,0.343,0,862,446.486,3.198,5,0.471,0.86,0.998,0.25749605921458435,0.34225721335069564,0.3839010348845179,0.34244568569666234,0.3315249982866151
EOS-3-03674,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)c4)n23)cc1,GTDDEBYDFMBIGN-UHFFFAOYSA-N,3,1,0.541,43,613,457.881,3.58,5,0.413,0.82,1.0,0.7837022822287711,0.4762267836337468,0.5885991364539784,0.5234048385991364,0.5929832602289082
EOS-3-03675,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)cc1,QBVOHVBYGCUNAX-UHFFFAOYSA-N,3,1,0.495,89,770,443.492,3.248,5,0.429,0.84,1.0,0.5525752175998904,0.34717462819546296,0.2081934068946611,0.11280069906106505,0.30518598793776985
EOS-3-03676,COc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(F)c1,NQABTMFTGNCFHG-UHFFFAOYSA-N,3,1,0.427,62,3,440.438,3.767,5,0.446,0.8,0.996,0.5136642450825851,0.4542440545541772,0.7112946336782948,0.597611541361113,0.5692036186690426
EOS-3-03677,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4ccc(C#N)nn4)cc3F)n12,YEIKBWSMZCWUBI-UHFFFAOYSA-N,3,1,0.35,62,124,450.437,3.333,5,0.443,0.79,0.999,0.27898190665478717,0.27719141936810365,0.6770269344116236,0.6098022753752314,0.46075063395243643
EOS-3-03678,Cc1nc(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ccn2)no1,UIRZLGCTKJDEMU-UHFFFAOYSA-N,3,1,0.343,33,647,453.466,2.423,6,0.411,0.79,1.0,0.07404393119045988,0.05040778562127339,0.016602700294702212,0.02032074566513604,0.04034379069289288
EOS-3-03679,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)nc1,NPUTXQNXSORQBR-UHFFFAOYSA-N,3,1,0.269,33,432,424.428,1.721,6,0.452,0.79,1.0,0.005705571927900761,0.01564320471523542,0.03033548077582071,0.04465081214447262,0.02408376739085738
EOS-3-03680,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4cn(C)cn4)cn3)n12,DWXGXBRHOIIZOZ-UHFFFAOYSA-N,3,1,0.287,52,295,450.506,3.454,6,0.44,0.84,0.997,0.0968405181276129,0.054023027893907206,0.1615893358919882,0.1598331163045713,0.1180714995545199
EOS-3-03681,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)nc4)n23)cc1F,JRKFDQMQMWJANP-UHFFFAOYSA-N,3,1,0.358,52,916,466.48,3.265,6,0.409,0.83,1.0,0.15329655266945377,0.1793143033376739,0.24710437941196628,0.3110821739428415,0.22269935234048388
EOS-3-03682,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)cnc5F)cn4)n23)nc1,FJZUKMJTQYQQOW-UHFFFAOYSA-N,3,1,0.298,74,776,444.405,2.948,5,0.424,0.8,1.0,0.2789904735796039,0.24150161058186553,0.5462356932355562,0.47560996504694675,0.3855844356109931
EOS-3-03683,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C#CCO)nc4)n23)cc1,UKVDZYILESSGFL-UHFFFAOYSA-N,3,1,0.588,63,536,440.463,2.001,5,0.441,0.86,1.0,0.43603933931875816,0.13232472071825097,0.3312487149612775,0.2658145432115688,0.29135682955246384
EOS-3-03684,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)c(OC)c1,PRVMSDDCYDZERD-UHFFFAOYSA-N,3,1,0.378,74,274,456.441,2.818,5,0.429,0.79,1.0,0.45481803851689395,0.4140908779384552,0.412394626824755,0.25354670687410047,0.3837125625385511
EOS-3-03685,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5c(F)ccnc5OC)ncn4)n23)cc1,DUHWYKUBRSWGCR-UHFFFAOYSA-N,3,1,0.365,74,139,456.441,2.818,5,0.429,0.79,1.0,0.42712117058460697,0.33709992461106164,0.3610787471729148,0.22396511548214654,0.33731623946268247
EOS-3-03686,O=C(c1ccc(-c2cncc3nnc(-c4cnn(-c5ccccc5)c4)n23)cc1)N1CCOCC1,QWWLGVDIEQAVGY-UHFFFAOYSA-N,3,1,0.423,52,229,451.49,3.116,6,0.417,0.79,1.0,0.0009166609553834555,0.00043691316565005827,0.01912994311561922,0.06955486258652593,0.022509594955794666
EOS-3-03687,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(=O)N5CCC(F)(F)C5)cn4)n23)cc1,OHBWMTPGHYIQFK-UHFFFAOYSA-N,3,1,0.424,63,334,478.463,2.013,5,0.466,0.79,0.998,0.13383249948598452,0.112440888218765,0.025889246795970117,0.05009937632787335,0.08056550270714825
EOS-3-03688,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnnc(-c5cc(F)ccn5)c4)n23)cc1,ANLZFHJEDBKORZ-UHFFFAOYSA-N,3,1,0.34,52,582,452.453,3.342,6,0.435,0.79,1.0,0.17766088684805703,0.15879651840175452,0.2945651428963059,0.37820402988143376,0.2523066445068878
EOS-3-03689,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCc5ccc(Cl)nc5)cn4)n23)cn1,SFZGORZDFDQYHS-UHFFFAOYSA-N,3,1,0.348,74,776,456.897,3.535,5,0.402,0.84,1.0,0.3032777054348571,0.3028836268932904,0.4163097114659722,0.3489137139332465,0.3428461894318416
EOS-3-03690,Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)ccc1Cl,HHMDKTRXAJERKE-UHFFFAOYSA-N,3,1,0.379,0,21,435.89,4.795,5,0.464,0.92,1.0,0.21682886710986224,0.3471831951202796,0.11974847508738264,0.45701117126996094,0.2851929271468714
EOS-3-03691,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nn5)cc4F)n23)cc1F,HIAHQGWUKRHTHQ-UHFFFAOYSA-N,3,1,0.353,62,648,457.444,3.862,5,0.44,0.81,1.0,0.34321670893016243,0.2979662120485231,0.7218662189020629,0.6535792611884038,0.5041571002672881
EOS-3-03692,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,LBEPIZMMKUGGFE-UHFFFAOYSA-N,3,1,0.277,98,654,433.439,2.501,6,0.412,0.81,1.0,0.0555136728120074,0.04676684257418957,0.05637893221849085,0.10162942910013022,0.06507221917620451
EOS-3-03693,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)c(Cl)c1,UJBOXISABGJKPO-UHFFFAOYSA-N,3,1,0.418,0,646,456.308,4.72,5,0.472,0.83,1.0,0.3138235898841752,0.4673600164484957,0.7682732506339525,0.8919111095881023,0.6103419916386814
EOS-3-03694,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(Cl)cc3)n12,LKCKUQOPAQKXGU-UHFFFAOYSA-N,3,1,0.408,0,646,417.9,4.236,5,0.527,0.86,1.0,0.2845161400863546,0.3130697005003084,0.42392570762798987,0.5569871838804743,0.3946246830237818
EOS-3-03695,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cccnc5F)ncn4)n23)cc1,BTNPSDGYQRUGIQ-UHFFFAOYSA-N,3,1,0.39,14,357,426.415,2.472,5,0.428,0.81,1.0,0.21145740524981152,0.15880508532657117,0.39113151942978547,0.320197381947776,0.2703978479884861
EOS-3-03696,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)cc4Cl)n23)cc1,KCAXIOINJZCXKU-UHFFFAOYSA-N,3,1,0.374,62,124,456.897,3.632,5,0.439,0.8,1.0,0.21960455075046262,0.2668768418888356,0.45315605510246043,0.40608080323487084,0.33642956274415736
EOS-3-03697,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nc5)cn4)n23)cc1,DLUBBTVWMBHWMR-UHFFFAOYSA-N,3,1,0.409,14,357,425.427,3.077,5,0.433,0.81,1.0,0.2361558494962648,0.16266876841888836,0.5918031663354122,0.510083270509218,0.3751777636899458
EOS-3-03698,Cn1nc(-c2ccccc2Cl)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,NCGROQZFASQLQJ-UHFFFAOYSA-N,3,1,0.359,62,302,470.924,3.799,6,0.419,0.89,1.0,0.11481392639298198,0.2771999862929203,0.09312247275717908,0.2183537797272291,0.17587254129257762
EOS-3-03699,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)cc1,UFXNAUSQPKSASM-UHFFFAOYSA-N,3,1,0.318,94,151,436.414,3.03,6,0.414,0.82,0.999,0.010408813652251388,0.13233328764306765,0.3127270235076417,0.3812281543417175,0.20917431978616957
EOS-3-03700,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cnn4)n23)cc1F,BQSZIOWEODISJX-UHFFFAOYSA-N,3,1,0.322,74,413,427.403,2.204,5,0.463,0.74,1.0,0.20301898430539372,0.18335789185114112,0.4090363922966212,0.35217771228839695,0.28689774518538824
EOS-3-03701,O=C(c1ncc(Cc2cncc3nnc(-c4ccc(Cl)cn4)n23)cn1)N1CC(F)C1,GQFRESFHFKJUCL-UHFFFAOYSA-N,3,1,0.368,68,364,424.827,2.014,5,0.493,0.71,1.0,0.2030275512302104,0.26166815160030155,0.01227640326228497,0.07140531834692619,0.1370943561099308
EOS-3-03702,CCN(C(=O)c1ccc(-c2cncc3nnc(-c4cnc(C)nc4)n23)nc1)C1CCCCC1,FIPJULYXBLKOHB-UHFFFAOYSA-N,3,1,0.302,78,701,442.527,3.747,5,0.464,0.75,0.999,0.03318826673977109,0.014272496744568569,0.001439243369200192,0.003855116167500514,0.013188780755260091
EOS-3-03703,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)cc4F)n23)cc1,VZDWJRVECWGXEC-UHFFFAOYSA-N,3,1,0.552,89,230,441.426,3.065,5,0.43,0.78,1.0,0.8138492906586252,0.36154992803783154,0.6659241998492221,0.5534404770063738,0.5986909738880132
EOS-3-03704,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)nn(C)c5C)cc4C)n23)nc1,CXOJFWJIYYOVFN-UHFFFAOYSA-N,3,1,0.282,52,523,452.522,3.539,5,0.447,0.79,0.999,0.04907991227468988,0.058126584881091084,0.1709358508669728,0.07538893838667672,0.08838282160235761
EOS-3-03705,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc(CO)n1,GEOAMFHZJNPWIA-UHFFFAOYSA-N,3,1,0.484,63,536,448.458,2.597,5,0.447,0.86,1.0,0.4837828113220478,0.2059831402919608,0.30181276129120693,0.28338530601055445,0.3187410047289425
EOS-3-03706,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc(Br)cn4)n23)c(F)c1,MNYVBVWBKBCZNZ-UHFFFAOYSA-N,3,1,0.544,90,133,472.278,2.464,4,0.46,0.77,1.0,0.5038379823178671,0.39487526557466934,0.279915701459804,0.2067798642999109,0.34635220341306283
EOS-3-03707,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccn5)cc4F)n23)cn1,QGTBTXHQZDUBED-UHFFFAOYSA-N,3,1,0.365,96,46,429.39,3.292,5,0.469,0.75,1.0,0.2548574463710506,0.26688540881365225,0.6770355013364403,0.6884552121170585,0.4718083921595504
EOS-3-03708,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cnccn5)cc4F)n23)cc1,UJRZRECNGCXMSG-UHFFFAOYSA-N,3,1,0.419,85,357,426.415,2.472,5,0.458,0.73,1.0,0.22516448495648003,0.17049893770132274,0.434908505242958,0.3653108080323487,0.29897068398327736
EOS-3-03709,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccn5)n4)n23)c(F)c1,MXEPZZGZWIZWST-UHFFFAOYSA-N,3,1,0.373,76,423,425.427,3.414,5,0.474,0.79,1.0,0.1446353916798026,0.2720169967788363,0.4738109108354465,0.4127630045918717,0.32580657597148927
EOS-3-03710,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnn(C)c5)n4)n23)cc1C,JIOIGUVGCTXGIZ-UHFFFAOYSA-N,3,1,0.308,74,423,438.495,3.312,5,0.452,0.78,1.0,0.04316873415118909,0.01715955040778562,0.21489274210129533,0.11979987663628264,0.09875522582413818
EOS-3-03711,Cn1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6COC6)cc5)n34)c2)n1,LVPBIQQHMDRKMQ-UHFFFAOYSA-N,3,1,0.317,74,738,453.466,1.777,6,0.427,0.78,1.0,0.14743677609485298,0.046775409499006236,0.1776694537728737,0.1306113357549174,0.12562324378041256
EOS-3-03712,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)cn5)c4)n23)cc1,TWRCCDPLKGFHNA-UHFFFAOYSA-N,3,1,0.516,89,656,442.414,2.46,5,0.424,0.76,1.0,0.7219090535261462,0.287523130697005,0.48096429305736416,0.3521862792132136,0.46064568912343223
EOS-3-03713,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccn5)n4)n23)cc1,MBAXFSNAEFESTH-UHFFFAOYSA-N,3,1,0.318,29,849,434.423,1.959,5,0.41,0.79,1.0,0.16948804057295594,0.061878897950791587,0.12520560619560003,0.0934908505242958,0.11251584881091083
EOS-3-03714,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5F)n4)n23)cc1,NAHFRSCKBIAQHT-UHFFFAOYSA-N,3,1,0.359,62,302,452.453,3.342,6,0.435,0.78,1.0,0.17474813241038997,0.22619251593448017,0.20455246384757728,0.32968953464464396,0.23379566170927285
EOS-3-03715,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)nc1,PUPREFNRECWKSV-UHFFFAOYSA-N,3,1,0.375,25,219,450.441,3.245,6,0.402,0.81,1.0,0.19745905009937634,0.33227674593927764,0.2722654375985196,0.39998971969022,0.3004977383318484
EOS-3-03716,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)c4)n23)cc1,RXLDUAFOWQTXDE-UHFFFAOYSA-N,3,1,0.548,89,637,455.453,3.326,5,0.418,0.8,1.0,0.7920807346994723,0.4187255842642725,0.5293245836474539,0.387507710232335,0.5319096532108835
EOS-3-03717,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)nc1,GLZZEIOFVLSQMR-UHFFFAOYSA-N,3,1,0.336,62,582,451.465,3.947,6,0.435,0.83,1.0,0.27355904324583646,0.2668939757384689,0.37253272565279966,0.4601380988280447,0.34328096086628745
EOS-3-03718,CCc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)c(OC2CCCC2)n1,POFQCYXDRXVXAX-UHFFFAOYSA-N,3,1,0.314,63,169,443.511,3.492,5,0.486,0.8,1.0,0.2251730518812967,0.07671681173326023,0.008309917072167775,0.011017065314234803,0.08030421150023988
EOS-3-03719,N#Cc1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,QLEYGIRYDAHINB-UHFFFAOYSA-N,3,1,0.472,63,108,412.413,1.924,5,0.508,0.95,0.999,0.3262199300938935,0.1469827290795696,0.1308597765746008,0.13487766431361797,0.1847350250154205
EOS-3-03720,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5C)n34)cn2)n1,JFGASMKRSRDFPN-UHFFFAOYSA-N,3,1,0.287,52,336,451.494,2.943,6,0.437,0.78,0.955,0.013595709684051813,0.03333390446165444,0.028168048797203755,0.030858063189637446,0.026488931533136865
EOS-3-03721,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5F)cn4)n23)cc1,VJCPMQVEAHJXMA-UHFFFAOYSA-N,3,1,0.365,74,582,452.453,3.342,6,0.407,0.84,1.0,0.1920361866904256,0.2108234528133781,0.2578044685079844,0.31721609211157564,0.24447005003084094
EOS-3-03722,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(Cl)c1,VHBLBZWZPZFSIN-UHFFFAOYSA-N,3,1,0.363,61,269,471.912,3.194,6,0.418,0.88,1.0,0.197467617024193,0.2564423274621342,0.13378966486190116,0.2535552737989171,0.21031372078678634
EOS-3-03723,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1F,PIFKDZZOMPNHGJ-UHFFFAOYSA-N,3,1,0.376,0,188,474.471,3.521,6,0.445,0.86,1.0,0.3337416900829278,0.30289219381810706,0.28742889452402165,0.44766465629497637,0.3429318586800082
EOS-3-03724,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cc5c(cc4F)OCC5)n23)nc1,OQEHFTACSKHLNJ-UHFFFAOYSA-N,3,1,0.343,63,505,418.432,2.601,5,0.535,0.75,0.684,0.24710437941196628,0.1751679117264067,0.2722740045233363,0.21571516688369544,0.22756536563635116
EOS-3-03725,Cc1cnc(-c2cncc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)cn1,IUAXNXMSJIGMQP-UHFFFAOYSA-N,3,1,0.347,85,290,423.44,2.036,5,0.453,0.77,1.0,0.09443321225412926,0.03633232814748818,0.12794702213693374,0.08082036872044411,0.08488323281474883
EOS-3-03726,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5cccnc5)n4)n23)cc1F,VXGIDOXKNQHERJ-UHFFFAOYSA-N,3,1,0.326,74,736,444.405,2.948,5,0.454,0.73,1.0,0.26832465218285245,0.2415101775066822,0.44223322596120895,0.4190168597080392,0.3427712288396957
EOS-3-03727,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(F)cn5)n4)n23)cc1,JWPHBRPMPCRBDA-UHFFFAOYSA-N,3,1,0.49,89,731,442.414,2.46,5,0.424,0.78,0.997,0.6059899938318142,0.3029007607429237,0.35374545952984715,0.2504283462408334,0.3782661400863546
EOS-3-03728,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)cc1,HIIJIPBIZJKBLN-UHFFFAOYSA-N,3,1,0.297,25,791,432.451,3.106,6,0.418,0.84,1.0,0.08696285381399493,0.06188746487560825,0.1647333972997053,0.24753272565279968,0.14027911041052704
EOS-3-03729,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(F)cn5)c4)n23)c(Cl)c1,PPVBLSPXTKTLOR-UHFFFAOYSA-N,3,1,0.381,82,859,446.833,3.202,5,0.449,0.74,0.999,0.21961311767527927,0.2929802618052224,0.6372849701871016,0.6421852511822356,0.44801590021245974
EOS-3-03730,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5c(F)cccc5Cl)nn4C)n23)cc1,OVYLBGKRYVUXTO-UHFFFAOYSA-N,3,1,0.367,61,316,462.876,3.406,5,0.439,0.79,1.0,0.19464909875950928,0.3520063737920636,0.30547940511274074,0.3620896443012816,0.3035561304913988
EOS-3-03731,CC1(NC(=O)c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)nc2)CC1,WLJJJAKTFFTPDH-UHFFFAOYSA-N,3,1,0.529,63,683,452.877,3.84,5,0.477,0.81,1.0,0.5421664039476389,0.38541738057706804,0.36477109176889866,0.5068963744774175,0.4498128126927558
EOS-3-03732,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cc(F)c(F)cn5)cc4F)n23)cc1,BPSDKKKMRFMPNY-UHFFFAOYSA-N,3,1,0.449,96,837,447.38,3.432,5,0.452,0.74,1.0,0.31632513193064216,0.3664587759577822,0.843019669659379,0.8163679665547255,0.5855428860256322
EOS-3-03733,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnsc5)c4)n23)c(F)c1,GFLDBXNBDTVFNU-UHFFFAOYSA-N,3,1,0.349,74,246,446.471,3.132,6,0.445,0.76,0.999,0.03066102391885409,0.16267733534370502,0.20456103077239393,0.2833938729353711,0.17032331574258103
EOS-3-03734,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cc1,BPMNUCLKEBMSPQ-UHFFFAOYSA-N,3,1,0.397,9,508,434.467,3.049,6,0.42,0.8,1.0,0.12275546569803303,0.05403159481872387,0.21176581454321156,0.2006630799808101,0.14730398876019465
EOS-3-03735,Cc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,UEXPAQFVZFJSEP-UHFFFAOYSA-N,3,1,0.255,52,523,449.478,2.906,6,0.434,0.77,1.0,0.11753820848468234,0.03334247138647111,0.11697279144678226,0.1467942567336029,0.10366193201288465
EOS-3-03736,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnoc5)cc4F)n23)cc1F,LLZGQNGYKCMVIM-UHFFFAOYSA-N,3,1,0.345,96,648,432.39,3.751,5,0.465,0.78,1.0,0.37309814269069974,0.29797477897333974,0.8300065108628607,0.7874288945240216,0.5721270817627304
EOS-3-03737,Cc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2)s1,RQJCRHJWXJYIAU-UHFFFAOYSA-N,3,1,0.324,74,295,443.496,2.696,6,0.444,0.82,1.0,0.020620588033719415,0.022916523884586388,0.0217428551847029,0.03193749571653759,0.024304365704886574
EOS-3-03738,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)nc4OC)n23)cn1,RROVTONKDDKFAI-UHFFFAOYSA-N,3,1,0.352,68,688,427.371,2.218,4,0.498,0.74,1.0,0.6198769789596327,0.445325885820026,0.40570385854293745,0.2183623466520458,0.4223172674936605
EOS-3-03739,OCCc1ncc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F,TZZVKNGHIFXQKF-UHFFFAOYSA-N,3,1,0.667,90,305,431.374,3.041,4,0.458,0.8,1.0,0.9435953670070591,0.8986018778699199,0.8998440819683367,0.8439705983140292,0.8965029812898362
EOS-3-03740,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4F)n23)cc1,ROMQOPTYZVWXMY-UHFFFAOYSA-N,3,1,0.358,62,3,438.466,4.409,5,0.439,0.87,1.0,0.290024672743472,0.29298882873003906,0.6633369885545884,0.5947159207730793,0.46026660270029474
EOS-3-03741,Cc1nnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1CCF,ZVKDTYRHNMGNBH-UHFFFAOYSA-N,3,1,0.38,63,108,437.439,1.527,5,0.44,0.81,1.0,0.1284096360770338,0.05041635254609005,0.0023559043245836475,0.0021759989034336237,0.04583947296278528
EOS-3-03742,O=C(NCCO)c1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)cc1,YEGNYJBMPVSQPZ-UHFFFAOYSA-N,3,1,0.441,66,12,459.388,1.901,4,0.429,0.85,0.995,0.3914827633472689,0.17932287026249058,0.7163833870193955,0.4694589130285793,0.4391619834144336
EOS-3-03743,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)nn1,QBVWLWDKXODUEA-UHFFFAOYSA-N,3,1,0.369,62,341,466.48,3.65,6,0.421,0.85,1.0,0.22220032896991296,0.23116133232814748,0.2874374614488383,0.342454252621479,0.27081334384209443
EOS-3-03744,Cc1ccc(-c2nnc3cncc(OCc4cc(C(=O)N5CCC(O)CC5)ccc4F)n23)nn1,HOZVBYUMECEMCL-UHFFFAOYSA-N,3,1,0.366,63,175,463.473,2.205,5,0.479,0.79,1.0,0.16669522308272222,0.05042491947090672,0.019138510040435885,0.07539750531149339,0.07791403947638956
EOS-3-03745,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nnc(C)o5)c4)n23)cc1F,SMHVANIHBZBBNY-UHFFFAOYSA-N,3,1,0.463,89,788,460.429,2.622,5,0.406,0.83,1.0,0.552583784524707,0.3371084915358783,0.24711294633678293,0.15186587622507025,0.32216777465560964
EOS-3-03746,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ncc(F)cn5)cn4)n23)cn1,VQQVPHWMIGACMG-UHFFFAOYSA-N,3,1,0.361,82,489,428.391,1.599,5,0.452,0.73,1.0,0.2630902611198684,0.2014855047632102,0.0662651634569255,0.04742649578507299,0.14456685628126925
EOS-3-03747,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(NC(C)=O)cc(Cl)c4F)n23)cc1,PFAZBRCAVIXPFY-UHFFFAOYSA-N,3,1,0.526,48,378,468.876,3.481,4,0.448,0.81,1.0,0.757530326913851,0.4092248646425879,0.6521571516688369,0.4412051949832088,0.5650293845521211
EOS-3-03748,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(C)n5)ccc4F)n23)cc1,SYPSSQIQVFZTLA-UHFFFAOYSA-N,3,1,0.394,62,3,438.466,4.327,5,0.452,0.87,1.0,0.26579740936193547,0.27720855321773696,0.7191847714344459,0.6188660818312659,0.47026420396134605
EOS-3-03749,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)cc1F,LKUDICYLRQFAMV-UHFFFAOYSA-N,3,1,0.357,61,917,431.435,2.41,5,0.461,0.8,1.0,0.27899904050442054,0.394883832499486,0.4239342745528065,0.30140154890000687,0.34980467411418
EOS-3-03750,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cn(C)nn5)c4)n23)cn1,KUQLTBZWXZSJRN-UHFFFAOYSA-N,3,1,0.447,89,250,441.455,1.92,5,0.424,0.84,1.0,0.3707850729901994,0.18336645877595778,0.13701082859296826,0.0695634295113426,0.19018144746761703
EOS-3-03751,NC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cc(F)ccn5)n4)n23)cc1,WCEJYCPTCLFYRK-UHFFFAOYSA-N,3,1,0.432,14,319,425.427,3.077,5,0.463,0.77,1.0,0.22518161880611337,0.1705075046261394,0.4634620656569118,0.41902542663285586,0.3195441539305051
EOS-3-03752,N#Cc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)ccc1F,NPZGOFBSEWKLPM-UHFFFAOYSA-N,3,1,0.419,62,837,436.41,3.025,5,0.457,0.75,1.0,0.23062161606469742,0.28227160578438765,0.7270063737920636,0.6710129531903228,0.4777281372078679
EOS-3-03753,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cn1,CGNFAAAPXIFIHW-UHFFFAOYSA-N,3,1,0.584,90,636,427.827,2.355,4,0.47,0.74,1.0,0.639983551504352,0.539690562675622,0.3499246110616133,0.3014101158248235,0.4577522102666027
EOS-3-03754,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnc(C)c5)n4)n23)cc1Cl,JEYIDHAGYOFQRZ-UHFFFAOYSA-N,3,1,0.333,29,849,457.885,3.027,5,0.436,0.8,1.0,0.2441230895757659,0.24151874443149887,0.22913953807141388,0.20067164690562675,0.22886325474607636
EOS-3-03755,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(F)nc5)ccn4)n23)cc1,XXUKOCGRYSEYFJ-UHFFFAOYSA-N,3,1,0.373,62,139,425.427,3.414,5,0.443,0.84,1.0,0.23888869851278186,0.18773559043245835,0.6282725652799671,0.5339507230484545,0.3972118943184154
EOS-3-03756,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nc5F)cn4)n23)cc1F,IBEQZUYDCBAGCW-UHFFFAOYSA-N,3,1,0.356,96,802,457.444,3.862,5,0.412,0.89,1.0,0.2982489205674731,0.2822801727092043,0.7113032006031115,0.6188746487560826,0.47767673565896784
EOS-3-03757,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncccc5Cl)ncn4)n23)cc1,MTAUTFSHLGTLPD-UHFFFAOYSA-N,3,1,0.356,74,139,442.87,3.323,5,0.454,0.76,1.0,0.1807278459324241,0.21568946610924541,0.38390960180933453,0.36209821122609825,0.28560628126927556
EOS-3-03758,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nncs5)nn4)n23)cc1F,MVDOXDJKBGOYFQ-UHFFFAOYSA-N,3,1,0.349,74,413,434.42,1.66,5,0.448,0.72,0.998,0.14744534301966966,0.19656808991844288,0.05083613186210678,0.05541086971420739,0.11256510862860668
EOS-3-03759,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)c1,IZJNHUCQCJTEGR-UHFFFAOYSA-N,3,1,0.303,10,748,436.414,3.03,6,0.414,0.8,0.901,0.00297272291138373,0.09641217188677952,0.17094441779178945,0.31109074086765814,0.1453550133644027
EOS-3-03760,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnc5)ccn4)n23)cc1,GOJHHZJFHYOLEU-UHFFFAOYSA-N,3,1,0.379,14,357,422.452,2.594,5,0.463,0.77,1.0,0.2057432663970941,0.06189603180042492,0.3420773079295456,0.23300322116373107,0.21067995682269894
EOS-3-03761,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccon5)n4)n23)cc1,BFTKJYSBZLUQJS-UHFFFAOYSA-N,3,1,0.337,52,423,423.436,3.401,6,0.461,0.85,1.0,0.10434514426701391,0.0732386402576931,0.13379823178671785,0.17879172092385717,0.1225434343088205
EOS-3-03762,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)cc1Cl,YVFUTJWOHMOLGC-UHFFFAOYSA-N,3,1,0.352,74,450,457.885,2.98,6,0.431,0.78,1.0,0.028373654992803782,0.15502707148242068,0.16791172640668905,0.28034404770063737,0.1579141251456377
EOS-3-03763,O=C(NCCF)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)nc4)n23)cc1,SGSVQOSZBDGFBC-UHFFFAOYSA-N,3,1,0.381,74,740,455.457,2.328,5,0.397,0.79,1.0,0.1017664998971969,0.03335103831128778,0.20107429237201013,0.14421561236378588,0.12010186073607018
EOS-3-03764,CNC(=O)c1ccc(-c2nnc3cncc(Cn4ccnc4-c4ccc(F)c(F)c4)n23)cn1,PNRMVGKLINEKMH-UHFFFAOYSA-N,3,1,0.384,14,81,446.421,2.736,5,0.445,0.75,1.0,0.32622849701871015,0.37121341923103285,0.41240319374957163,0.38751627715715165,0.37434034678911654
EOS-3-03765,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5Cl)n4)n23)cc1C,ZCUGXRXEAQYBMS-UHFFFAOYSA-N,3,1,0.349,29,704,456.897,3.632,5,0.439,0.81,1.0,0.2658059762867521,0.2616767185251182,0.2983003221163731,0.29525049688163935,0.2802583784524707
EOS-3-03766,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccsc5)cn4)n23)cc1,OJTFITJAXVWMDN-UHFFFAOYSA-N,3,1,0.382,52,916,452.543,4.398,6,0.413,0.88,1.0,0.09684908505242958,0.046783976423822905,0.25781303543280104,0.31422623535055855,0.17891808306490303
EOS-3-03767,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)nc4F)n23)cc1F,FGNUCTUWLRUESX-UHFFFAOYSA-N,3,1,0.357,96,648,429.39,3.292,5,0.439,0.8,1.0,0.2817918579946542,0.22620108285929683,0.7270149407168802,0.69973785210061,0.48368643341786033
EOS-3-03768,Cc1c(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)ccc2F)cnn1C,FRXJGNQDLGYZQO-UHFFFAOYSA-N,3,1,0.434,14,319,442.454,3.928,5,0.443,0.8,1.0,0.2280686724693304,0.11244945514358166,0.6493643341786033,0.49366047563566584,0.3708857343567953
EOS-3-03769,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccnc(F)c5)n4)n23)cc1,BUKHKMLTJGAQBK-UHFFFAOYSA-N,3,1,0.363,62,139,443.417,3.553,5,0.427,0.83,1.0,0.26031457747926806,0.27202556370365294,0.6796655472551573,0.609810842300048,0.4554541326845315
EOS-3-03770,CCNC(=O)c1cncc(Cc2cncc3nnc(-c4cccc(-c5cnc(C)nn5)c4)n23)c1,ZZJNRVAITMBTOR-UHFFFAOYSA-N,3,1,0.357,85,357,451.494,2.687,5,0.418,0.77,1.0,0.08956719895826194,0.015651771640052086,0.1197570420121993,0.06957199643615927,0.07363700226166815
EOS-3-03771,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(OCc3cnc(Cl)cn3)n12,LHGRWVYAONNPAD-UHFFFAOYSA-N,3,1,0.424,63,536,451.874,2.715,5,0.456,0.79,1.0,0.40410184360222057,0.31307826742512507,0.14017202385031868,0.13731067096155164,0.248665701459804
EOS-3-03772,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4cccc(F)c4)n23)cc1F,ZAZSFZJQYVKSBC-UHFFFAOYSA-N,3,1,0.366,61,648,445.433,3.497,5,0.457,0.76,1.0,0.22220889589472964,0.2616852854499349,0.6659327667740388,0.6393581659927352,0.44729627852785964
EOS-3-03773,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(CO)cc4Cl)n23)cc1,ILXGQZAHTZIXCJ-UHFFFAOYSA-N,3,1,0.495,63,536,450.886,2.803,5,0.445,0.87,0.998,0.5243300664793366,0.39489239942430265,0.2983088890411898,0.34246281954629565,0.3899985436227812
EOS-3-03774,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccs5)cc4)n23)cn1,FVQJIZNOBGJUFE-UHFFFAOYSA-N,3,1,0.477,89,230,443.492,3.248,5,0.429,0.84,1.0,0.5243386334041532,0.30290932766774037,0.22914810499623056,0.13731923788636832,0.29842882598862314
EOS-3-03775,CONC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5nnn(C)n5)c4)n23)cc1,BJJINKIHKRAFBJ-UHFFFAOYSA-N,3,1,0.385,61,740,441.455,1.864,5,0.396,0.81,1.0,0.24413165650058255,0.09642073881159618,0.15227708861627032,0.08420430402302789,0.14425844698786924
EOS-3-03776,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnc(C)o5)n4)n23)cc1,UUICBXOFOCGTJZ-UHFFFAOYSA-N,3,1,0.489,89,731,442.439,2.483,5,0.421,0.8,1.0,0.4360479062435748,0.17517647865122335,0.11373449386608184,0.040847097525872116,0.19145149407168802
EOS-3-03777,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccc(F)cc4)n23)cc1,DTWNYIIAWLVBCO-UHFFFAOYSA-N,3,1,0.379,62,124,426.415,2.809,5,0.47,0.76,1.0,0.20043177301076007,0.2669025426632856,0.3911400863546022,0.3812367212665342,0.3099277808237955
EOS-3-03778,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C#N)nc4C(F)(F)F)n23)cn1,WTZHUMKKXAFZPQ-UHFFFAOYSA-N,3,1,0.39,68,127,425.334,1.893,4,0.526,0.7,1.0,0.29278322253443906,0.32766774038791036,0.6015608937015968,0.3716760331711329,0.39842197244876976
EOS-3-03779,CCn1c(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nnc1C(F)F,JCUOEHZXUSBHHC-UHFFFAOYSA-N,3,1,0.462,63,536,454.441,2.812,5,0.436,0.85,1.0,0.3958261942293194,0.20599170721677745,0.03413062846960455,0.0460386539647728,0.17049679597011858
EOS-3-03780,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5nnn(C)n5)cc4Cl)n23)cc1,UULDEAFNHKWWAT-UHFFFAOYSA-N,3,1,0.412,74,784,460.889,1.981,5,0.421,0.77,1.0,0.20303611815502706,0.23116989925296416,0.10050716194914673,0.09349941744911247,0.15705314920156263
EOS-3-03781,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnc(C)nn5)cc4F)n23)cn1,TZNHGWVSFYFWPJ-UHFFFAOYSA-N,3,1,0.433,13,374,430.403,3.287,5,0.414,0.85,1.0,0.7491347405935166,0.7083219107669111,0.43491707216777464,0.31423480227537526,0.5516521314508944
EOS-3-03782,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(C(F)(F)F)c4)n23)cc1Cl,BPTMAUQGCZDDLZ-UHFFFAOYSA-N,3,1,0.383,66,685,472.858,4.342,5,0.467,0.85,1.0,0.3337502570077445,0.4894369817010486,0.8745031183606332,0.8580546227126311,0.6389362449455143
EOS-3-03783,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cn5)ns4)n23)cc1,IKWBOUICUSXLGX-UHFFFAOYSA-N,3,1,0.367,74,837,432.444,2.871,5,0.465,0.76,1.0,0.21398464807072853,0.23603591254883147,0.1492186964567199,0.14185114111438557,0.18527259954766637
EOS-3-03784,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnnc5)nc(C)n4)n23)cc1,YRKLELTXHILKOE-UHFFFAOYSA-N,3,1,0.326,74,333,423.44,2.373,5,0.467,0.8,1.0,0.15596943321225412,0.022925090809403057,0.19411794942087587,0.11030772393941471,0.12083004934548694
EOS-3-03785,Cn1cnnc1-c1cc(-c2cccc(-c3nnc4cncc(Br)n34)c2)ccn1,IJNBEAKTGSQNNC-UHFFFAOYSA-N,3,1,0.53,22,844,433.273,3.411,5,0.434,0.81,1.0,0.17201528339387293,0.14329895140840243,0.2909327667740388,0.355141868274964,0.24034721746281956
EOS-3-03786,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nc(C)cs5)n4)n23)nc1,IDUDMSOZJSOSAQ-UHFFFAOYSA-N,3,1,0.312,76,776,428.481,3.04,5,0.468,0.75,0.998,0.0869714207388116,0.0767253786580769,0.06627373038174217,0.034104927695154545,0.0660188643684463
EOS-3-03787,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C(F)(F)F)c4)n23)cc1F,AISXAZPEEXKLFI-UHFFFAOYSA-N,3,1,0.565,48,240,463.366,4.027,4,0.452,0.85,1.0,0.9588873278048112,0.8517664998971969,0.9914159413336988,0.9704955109313961,0.9431413199917758
EOS-3-03788,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5nccnn5)c4)n23)cn1,IPIUQBNDMMVVRZ-UHFFFAOYSA-N,3,1,0.301,82,974,436.439,1.992,6,0.438,0.76,1.0,0.11181550270714824,0.030198409978754028,0.02482694811870331,0.04085566445068878,0.05192413131382359
EOS-3-03789,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NCCF)c(F)c5)n34)nc2)cn1,RAEQMEXBWCQVMD-UHFFFAOYSA-N,3,1,0.318,74,768,460.448,3.092,5,0.418,0.81,1.0,0.15330511959427043,0.15503563840723733,0.4738194777602632,0.39678568980878626,0.2947364813926393
EOS-3-03790,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,HLPULPHIVSGLFU-UHFFFAOYSA-N,3,1,0.33,62,246,421.464,3.536,6,0.469,0.84,0.999,0.04317730107600576,0.0430316633541224,0.23288328421629773,0.3014186827496402,0.15512773284901651
EOS-3-03791,O=C(c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)nc1)N1CCCC1,JQYYRAPQERHTJR-UHFFFAOYSA-N,3,1,0.477,0,175,454.412,3.83,5,0.456,0.81,0.997,0.3685062709889658,0.48944554862586526,0.14595469810156947,0.3967942567336029,0.3501751936125009
EOS-3-03792,O=C(NC1COC1)c1ccc(-c2nnc3cncc(-c4cccc(-n5ccnc5)c4)n23)cc1,FTUWZJOQGBWADF-UHFFFAOYSA-N,3,1,0.306,62,124,437.463,2.773,6,0.454,0.75,1.0,0.17475669933520663,0.03335960523610445,0.4349256390925913,0.37492289767665,0.2544912103351381
EOS-3-03793,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ncc(F)c(CC(N)=O)n3)n12,YAMNNVLYCIUPMU-UHFFFAOYSA-N,3,1,0.333,63,437,462.445,1.316,5,0.417,0.84,0.247,0.2417243506270989,0.20600027414159414,0.02092043040230279,0.016080117880885477,0.12118129326297032
EOS-3-03794,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cn1,CTMSZMSMPQLWRN-UHFFFAOYSA-N,3,1,0.543,63,66,419.42,2.234,5,0.458,0.89,1.0,0.4712322664656295,0.2929973956548557,0.08387019395517785,0.1198084435610993,0.24197707490919057
EOS-3-03795,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccs5)cn4)n23)nc1,UARGQRVJNCFCBJ-UHFFFAOYSA-N,3,1,0.36,52,647,453.531,3.793,6,0.42,0.82,1.0,0.08255945445822767,0.09004694674799534,0.09539270783359605,0.14185970803920225,0.10246470426975532
EOS-3-03796,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnccn5)n4)n23)cc1,NCYQBXMLDQYFPW-UHFFFAOYSA-N,3,1,0.461,7,408,439.439,1.977,5,0.421,0.76,1.0,0.4615430744979782,0.18337502570077446,0.15835103831128777,0.08250805290932767,0.22144429785484204
EOS-3-03797,Cc1ncc(-c2cnn(C)c2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1C,OAIIIQRJTKYSFW-UHFFFAOYSA-N,3,1,0.314,52,295,453.51,2.793,6,0.438,0.8,1.0,0.05382598862312384,0.025203892810636695,0.042372010143238985,0.043374340346789116,0.041194057980947156
EOS-3-03798,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OCc5ncnn5C)cn4)n23)cc1,LEBHUKGJIBQMDF-UHFFFAOYSA-N,3,1,0.346,74,333,441.455,1.92,5,0.424,0.8,1.0,0.2760263175930368,0.17518504557604003,0.10572441916249743,0.04465937906928929,0.1503987903502159
EOS-3-03799,CCn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(C)c4)n23)nn1,KDNFVZZVQGICOE-UHFFFAOYSA-N,3,1,0.315,74,333,440.471,2.195,5,0.44,0.75,0.999,0.08464978411349462,0.022933657734219723,0.050844698786923444,0.024407168802686587,0.04570882735933109
EOS-3-03800,CCCn1c(C)nnc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,KZIUGZRLEKTKEA-UHFFFAOYSA-N,3,1,0.366,63,334,416.489,2.584,5,0.497,0.86,1.0,0.11482249331779865,0.014281063669385238,0.002501542046467,0.0025615105201836747,0.03354165238845864
EOS-3-03801,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OCc5cccc(F)c5)nn4)n23)nc1,KKDWWTPCLMPNCS-UHFFFAOYSA-N,3,1,0.347,19,776,442.414,2.46,5,0.424,0.79,0.987,0.4452659173463094,0.3130868343499417,0.35736926872729763,0.3110993077924748,0.3567053320540059
EOS-3-03802,Cc1ccc(Cl)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)n1,RUHQQPUOGLPFKL-UHFFFAOYSA-N,3,1,0.402,62,139,441.882,3.976,5,0.451,0.82,1.0,0.1776694537728737,0.21083201973819476,0.5360239188540882,0.4936690425604825,0.3545486087314098
EOS-3-03803,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccnc(F)c5)n4)n23)nc1,UAQMUYZTOKKRJB-UHFFFAOYSA-N,3,1,0.317,74,776,444.405,2.948,5,0.424,0.79,0.981,0.24173291755191556,0.21084058666301145,0.4843482283599479,0.4350969775889247,0.3430046775409499
EOS-3-03804,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5noc(C)n5)nc4)n23)cc1,PJIQOBFKHDLZKK-UHFFFAOYSA-N,3,1,0.583,89,731,442.439,2.483,5,0.421,0.79,1.0,0.43355493112192445,0.16649818381193887,0.13086834349941745,0.05389452402165719,0.19620399561373447
EOS-3-03805,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cncc(C)c5)c4)n23)cc1,GTEBZFXTQNJVPF-UHFFFAOYSA-N,3,1,0.326,62,139,421.464,3.583,5,0.476,0.83,1.0,0.19747618394900968,0.039322184908505246,0.48800630525666505,0.3521948461380303,0.2692498800630526
EOS-3-03806,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)nc1F,LBTRNYNTGBARAY-UHFFFAOYSA-N,3,1,0.457,89,412,442.414,2.982,5,0.439,0.77,1.0,0.6731632513193064,0.38086834349941745,0.3647796586937153,0.22717771228839695,0.411497241450209
EOS-3-03807,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,KVNRGMRRIQRWNV-UHFFFAOYSA-N,3,1,0.805,48,378,451.433,2.82,5,0.465,0.82,1.0,0.5370605167569049,0.14699129600438626,0.7191933383592626,0.6478822561853197,0.5127818518264684
EOS-3-03808,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nccn5C)nc(C)n4)n23)cc1,KQRMRRHSFMZGLA-UHFFFAOYSA-N,3,1,0.326,74,333,425.456,2.317,5,0.47,0.77,1.0,0.11997978205743266,0.012944623397985059,0.0909893084778288,0.038448358577205126,0.0655905181276129
EOS-3-03809,CN(C)C(=O)c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1Cl,PKYMSINKXJLKFK-UHFFFAOYSA-N,3,1,0.519,90,555,444.282,3.169,4,0.466,0.77,1.0,0.577110890274827,0.6066153793434309,0.2578216023576177,0.2594835857720513,0.4252578644369817
EOS-3-03810,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5CO)cc4)n23)cc1,GUYVKOCPVKLYST-UHFFFAOYSA-N,3,1,0.34,0,901,470.533,2.805,5,0.448,0.86,1.0,0.12841820300185045,0.00918374340346789,0.0367264066890549,0.06444897539579193,0.059694332122541285
EOS-3-03811,CNC(=O)c1ccc(-c2nnc3cncc(C(F)(F)c4cc(Cl)cc(Cl)n4)n23)cc1,WHRQQCXZVGOOHS-UHFFFAOYSA-N,3,1,0.467,66,225,449.248,3.993,4,0.477,0.75,1.0,0.34100644232746213,0.45850181618806113,0.9578164622027278,0.912677335343705,0.667500514015489
EOS-3-03812,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccc(F)cc4)n23)cc1,MGLYNOPQBYZJNA-UHFFFAOYSA-N,3,1,0.361,62,302,452.453,3.342,6,0.435,0.78,1.0,0.2114659721746282,0.24650469467479955,0.23289185114111438,0.36210677815091497,0.2632423240353643
EOS-3-03813,CCc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(C(=O)NC4CC4)nc3)n12,FZNMJKAASBXFOW-UHFFFAOYSA-N,3,1,0.284,63,66,468.521,2.595,6,0.427,0.83,0.999,0.13384106641080118,0.030206976903570694,0.004566170927283942,0.006151052018367487,0.04369131656500583
EOS-3-03814,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)nc1)N1CCCC1,NYJTYVRYMOVYAI-UHFFFAOYSA-N,3,1,0.34,52,800,449.478,2.941,6,0.411,0.8,1.0,0.04597868549105613,0.00785587005688438,0.002784250565417038,0.009706325817284627,0.016581282982660546
EOS-3-03815,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cn1,MHSMCFPHSSDQRN-UHFFFAOYSA-N,3,1,0.341,82,204,452.453,3.342,6,0.407,0.84,1.0,0.18627064628880816,0.2060088410664108,0.22915667192104722,0.3142433692001919,0.23391988211911452
EOS-3-03816,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnccc5C)cc4)n23)nc1,XEDOHYKAYSSIEJ-UHFFFAOYSA-N,3,1,0.34,52,740,436.479,2.902,5,0.451,0.72,0.974,0.1640908779384552,0.06945205948872593,0.23290041806593106,0.1518744431498869,0.15457944966074977
EOS-3-03817,NC(=O)c1ccc(-c2nnc3cncc(Cc4nc(-c5ccnc(F)c5)ccc4F)n23)cc1,BKFAZSCJDQNDKR-UHFFFAOYSA-N,3,1,0.414,14,319,443.417,3.216,5,0.418,0.79,1.0,0.3110821739428415,0.25152491261736687,0.6340466726064012,0.5917174970872455,0.4470928140634638
EOS-3-03818,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nn5)nc4)n23)cc1,SGDLOQBMZVTHBL-UHFFFAOYSA-N,3,1,0.337,62,139,422.452,2.978,5,0.474,0.78,1.0,0.1506579398259201,0.05813515180590775,0.27638612843533683,0.17324035364265644,0.16460489342745527
EOS-3-03819,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)n(C)n1,RVQVLJMGZCAVLX-UHFFFAOYSA-N,3,1,0.347,62,302,449.518,4.059,6,0.437,0.86,1.0,0.13667671852511823,0.0694606264135426,0.2507367555342334,0.25949215269686793,0.17909156329244053
EOS-3-03820,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1F,GNHPVTJRVPKYFT-UHFFFAOYSA-N,3,1,0.333,61,648,444.405,2.948,5,0.454,0.73,1.0,0.3262370639435268,0.2515334795421835,0.6904084709752587,0.6478908231101363,0.47901745939277635
EOS-3-03821,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)c(Cl)n4)n23)cc1,HMOMWCLMRQZTOY-UHFFFAOYSA-N,3,1,0.438,66,5,414.256,2.839,4,0.552,0.81,1.0,0.27603488451785346,0.2156980330340621,0.33125728188609416,0.3585172366527311,0.29537685902268523
EOS-3-03822,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5nc(C)no5)n4)n23)cc1F,WOJNDXQMZYOVCZ-UHFFFAOYSA-N,3,1,0.322,74,768,431.391,2.105,5,0.453,0.75,1.0,0.3083835926255911,0.2515420464670002,0.0813001165101775,0.05979713522034131,0.17525572270577755
EOS-3-03823,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)c(F)c1,USRYDJBCADDFKV-UHFFFAOYSA-N,3,1,0.324,74,997,433.382,2.072,5,0.432,0.77,1.0,0.016799739565485573,0.17933143718730724,0.4309762867521075,0.38752484408196836,0.25365807689671716
EOS-3-03824,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)ccc4Cl)n23)cc1,WDJLWGAZIUIXTM-UHFFFAOYSA-N,3,1,0.386,62,648,459.872,4.067,5,0.435,0.85,1.0,0.3083921595504078,0.3712219861558495,0.74966588993215,0.7136505380028785,0.5357326434103215
EOS-3-03825,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)c(Cl)c1,MKBOMKQWPFRXPG-UHFFFAOYSA-N,3,1,0.364,61,648,462.876,3.406,5,0.439,0.79,1.0,0.30840072647522443,0.3322853128640943,0.5563360975944075,0.5369662805839216,0.4334971043794119
EOS-3-03826,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)nn1,CHOZUXZSILMNAA-UHFFFAOYSA-N,3,1,0.33,62,302,448.49,3.511,6,0.438,0.78,1.0,0.14745390994448632,0.05404016174354054,0.16474196422452198,0.1977331916935097,0.14099230690151462
EOS-3-03827,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccsc5)cnn4C)n23)cc1F,NKTBIXOFWLISKE-UHFFFAOYSA-N,3,1,0.337,74,413,433.472,3.419,5,0.469,0.75,1.0,0.147462476869303,0.19657665684325953,0.39489239942430265,0.35220341306284697,0.27278373654992805
EOS-3-03828,N#Cc1ccc(Cn2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cc1,JQQKCOJJXVHQQZ-UHFFFAOYSA-N,3,1,0.352,52,916,461.489,2.862,6,0.412,0.83,1.0,0.1559780001370708,0.1219673086148996,0.17095298471660614,0.23588170790213145,0.171195000342677
EOS-3-03829,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)nn1C,TXPSWRXRBSJTDN-UHFFFAOYSA-N,3,1,0.578,89,398,440.467,2.573,5,0.43,0.79,1.0,0.3801915564389007,0.11245802206839833,0.23290898499074772,0.10588719073401412,0.2078614385580152
EOS-3-03830,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ncccn5)s4)n23)cc1,RCAANPANTKTAIY-UHFFFAOYSA-N,3,1,0.358,52,916,454.519,3.188,6,0.419,0.81,1.0,0.07405249811527655,0.05814371873072442,0.025897813720786787,0.04086423137550545,0.0497395654855733
EOS-3-03831,NC(=O)c1ccc(-c2nnc3cncc(OCc4c(Cl)cnc(Cl)c4F)n23)nc1,CANLSBGZWHMUFX-UHFFFAOYSA-N,3,1,0.407,90,244,434.218,2.705,4,0.48,0.72,0.994,0.6059985607566308,0.44533445274484273,0.5791069837571106,0.6067267493660475,0.5592916866561579
EOS-3-03832,CNC(=O)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5cncc(F)c5)n4)n23)cc1F,YOJQVPVPKUCHDB-UHFFFAOYSA-N,3,1,0.315,74,413,433.382,2.276,5,0.445,0.79,0.999,0.21683743403467892,0.2930059625796724,0.36846343636488244,0.3653193749571654,0.3109065519840998
EOS-3-03833,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)nc1,XLZZRPAWSWMQIF-UHFFFAOYSA-N,3,1,0.364,82,229,467.493,2.121,6,0.395,0.84,1.0,0.016808306490302242,0.0009252278802001233,0.0033411006785004456,0.0055942019052840795,0.006667209238571723
EOS-3-03834,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,VKZDLDKYGJAKDG-UHFFFAOYSA-N,3,1,0.341,62,302,432.487,4.413,6,0.445,0.88,1.0,0.15066650675073676,0.06946919333835926,0.3725412925776163,0.4506373792063601,0.2608285929682681
EOS-3-03835,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccnn5)ncn4)n23)cc1F,STBMWKLJGBBTDM-UHFFFAOYSA-N,3,1,0.326,74,768,427.403,2.204,5,0.463,0.75,0.999,0.25246727434720034,0.20149407168802685,0.30899184428757454,0.2595007196216846,0.25561347748612157
EOS-3-03836,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cc5)nn4)n23)cn1,YPWHSRHKBVHBJZ-UHFFFAOYSA-N,3,1,0.367,82,336,427.403,2.204,5,0.463,0.75,1.0,0.2658145432115688,0.327676307312727,0.1840775135357412,0.18678466177780823,0.2410882564594613
EOS-3-03837,CNC(=O)c1ncc(COc2cncc3nnc(-c4cc(F)cc(Cl)c4)n23)cc1F,BNCMJRFDMCLDDV-UHFFFAOYSA-N,3,1,0.58,90,555,430.802,3.057,4,0.523,0.67,1.0,0.6642365156603386,0.5775649372901104,0.657854156671921,0.6591991638681379,0.639713693372627
EOS-3-03838,CCOc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cn(CC)nc3C)n12,GDZNDHSRGJXTDG-UHFFFAOYSA-N,3,1,0.318,63,66,446.515,2.593,5,0.443,0.82,1.0,0.07019738194777603,0.03933075183332191,0.004317730107600576,0.0019018573093002537,0.028936930299499692
EOS-3-03839,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)nc4)n23)cn1,GKAZWDUXHCWOND-UHFFFAOYSA-N,3,1,0.277,82,514,453.441,2.737,6,0.403,0.82,0.874,0.18073641285724076,0.15881365225138785,0.0747806867246933,0.13965800836131861,0.13849719004866012
EOS-3-03840,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)cc(Cl)c4)n23)cc1F,HYQJQGQIRWHPJP-UHFFFAOYSA-N,3,1,0.461,23,646,413.815,3.673,4,0.554,0.87,1.0,0.40003255431430335,0.4894541155506819,0.8845778219450346,0.8892724967445685,0.6658342471386471
EOS-3-03841,Cc1ocnc1-c1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ncn1,GTDJZOYFYCMRLV-UHFFFAOYSA-N,3,1,0.357,52,916,452.478,3.028,6,0.417,0.79,1.0,0.17767802069769037,0.08371598930847783,0.054631279555890616,0.05980570214515797,0.09395774792680418
EOS-3-03842,OCc1cc(F)c(Cl)cc1-c1nnc2cncc(OCCc3ncc(Cl)cn3)n12,XGADDJDPRHRTDY-UHFFFAOYSA-N,3,1,0.53,90,811,435.246,3.141,4,0.497,0.75,0.999,0.8164193681036255,0.8004591871701734,0.6986412857240765,0.7733363032006031,0.7722140360496195
EOS-3-03843,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,CWRUEPVKJPIXTQ-UHFFFAOYSA-N,3,1,0.333,52,246,451.49,3.545,6,0.424,0.82,0.995,0.04908847919950655,0.07673394558289356,0.2220289904735796,0.2239736824069632,0.14295627441573572
EOS-3-03844,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nc4)n23)cn1,YWCLSTKIZWRALI-UHFFFAOYSA-N,3,1,0.372,52,169,465.521,3.275,6,0.401,0.88,1.0,0.025897813720786787,0.005988280446850798,0.0018675896100335823,0.006159618943184154,0.009978325680213831
EOS-3-03845,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)s4)n23)cc1,JPNYQOKAAGSFQJ-UHFFFAOYSA-N,3,1,0.421,66,264,418.404,3.217,4,0.55,0.78,1.0,0.2927917894592557,0.26169385237475157,0.6796741141799739,0.4286203824275238,0.41569503461037627
EOS-3-03846,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cc(-c5ccccc5)nn4C)n23)cc1,BQIVOLLHSAWBHG-UHFFFAOYSA-N,3,1,0.419,62,886,437.507,3.337,5,0.44,0.8,1.0,0.09196593790692893,0.11246658899321499,0.18725584264272496,0.1396665752861353,0.13283873620725106
EOS-3-03847,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)c4)n23)cc1,KJRTWQFNLQAOCC-UHFFFAOYSA-N,3,1,0.523,89,637,427.428,1.91,5,0.419,0.85,1.0,0.6310996504694675,0.30797238023439105,0.24353197176341582,0.13967514221095195,0.33056978616955657
EOS-3-03848,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cn1,FLMQEUUDYMOUMC-UHFFFAOYSA-N,3,1,0.323,50,997,442.418,1.86,6,0.409,0.8,1.0,0.029427386745253924,0.139855047632102,0.05085326571174011,0.09747447056404633,0.07940254266328559
EOS-3-03849,Cc1ncc(-c2cnn(C)c2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,FODWCAHFJPMACN-UHFFFAOYSA-N,3,1,0.311,74,295,451.494,2.849,6,0.437,0.8,1.0,0.06821842231512576,0.03336817216092112,0.05638749914330752,0.05981426906997464,0.054447090672332256
EOS-3-03850,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)nc1,LRVDEGDBEZHCAG-UHFFFAOYSA-N,3,1,0.411,89,348,438.451,2.582,5,0.43,0.77,1.0,0.46874785826879584,0.155044205332054,0.33854773490507845,0.22718627921321363,0.29738151942978547
EOS-3-03851,Cn1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c2)n1,NBWABQPKSJUAFW-UHFFFAOYSA-N,3,1,0.315,82,974,438.455,1.936,6,0.441,0.74,0.989,0.11483106024261532,0.046792543348639574,0.031500582550887536,0.040872798300322116,0.05849924611061613
EOS-3-03852,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nc4C(F)F)n23)cn1,XYHNWBAHVRSVKZ-UHFFFAOYSA-N,3,1,0.418,66,455,449.343,3.564,4,0.479,0.73,0.998,0.3617212665341649,0.4453430196696594,0.9304794051127407,0.7827941881982043,0.6300844698786923
EOS-3-03853,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4cccnc4OC)n23)cc1,FETVPPOEUCGPTD-UHFFFAOYSA-N,3,1,0.337,62,139,427.424,2.877,5,0.455,0.81,1.0,0.2818004249194709,0.11247515591803166,0.19412651634569256,0.08781954629566172,0.1690554108697142
EOS-3-03854,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-n4cc(-c5ccc(Cl)nc5)nn4)n23)nc1,LOTPVSLTQVDZAL-UHFFFAOYSA-N,3,1,0.404,33,432,458.873,2.375,6,0.397,0.85,0.865,0.04169522308272223,0.16650675073675553,0.054639846480707285,0.12853813994928381,0.09784499006236722
EOS-3-03855,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)cc1F,SFGLIMWCBDWNLU-UHFFFAOYSA-N,3,1,0.299,25,791,450.441,3.245,6,0.402,0.83,1.0,0.19748475087382633,0.2720341306284696,0.27639469536015354,0.39680282365841957,0.28567910013021725
EOS-3-03856,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,QWPXVZFOQMSHHP-UHFFFAOYSA-N,3,1,0.35,0,862,413.441,2.105,5,0.518,0.89,1.0,0.20304468507984375,0.08020355013364402,0.0790384483585772,0.05982283599479131,0.10552737989171407
EOS-3-03857,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,FFLRHLPZNIWIFF-UHFFFAOYSA-N,3,1,0.287,0,862,413.441,2.105,5,0.518,0.9,1.0,0.10435371119183058,0.03634089507230485,0.07259612089644302,0.05823795490370776,0.06788217051607155
EOS-3-03858,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnc5)n4)n23)cc1F,IZFPJZABVQYZGI-UHFFFAOYSA-N,3,1,0.533,1,436,455.453,3.326,5,0.418,0.82,1.0,0.5857891851141115,0.42757521759989037,0.5192755808375026,0.4060893701596875,0.48468233842779795
EOS-3-03859,C#Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)ccc1C(=O)NC,WWONOKUTXAYFTQ-UHFFFAOYSA-N,3,1,0.323,62,366,430.471,3.861,5,0.438,0.85,1.0,0.20044033993557672,0.09642930573641285,0.6493729011034199,0.5633695428688917,0.3774030224110753
EOS-3-03860,Cc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cn(-c4cccnn4)nn3)n12,PYXYBAXEWRBKNC-UHFFFAOYSA-N,3,1,0.306,50,974,439.443,1.425,6,0.43,0.76,0.945,0.01360427660886848,0.01716811733260229,0.006142485093550819,0.007007744500034268,0.010980655883763964
EOS-3-03861,CCOc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ncc1Cl,LKFGPBPGCLHIHM-UHFFFAOYSA-N,3,1,0.48,63,536,464.913,3.71,5,0.424,0.88,1.0,0.5088324994859845,0.38542594750188475,0.27992426838462064,0.26862449455143583,0.36070180248098144
EOS-3-03862,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n(C)n1,IRWIVOLAOYAKDY-UHFFFAOYSA-N,3,1,0.32,52,423,451.494,2.849,6,0.437,0.79,1.0,0.0782160235761771,0.030215543828387363,0.020928997327119458,0.027182852443286956,0.03913585429374272
EOS-3-03863,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ccc(-c4ncc(F)cn4)cn3)n12,QBNRIPDCFFLEKJ-UHFFFAOYSA-N,3,1,0.37,85,260,440.442,2.781,5,0.445,0.74,1.0,0.24711294633678293,0.2108491535878281,0.3090004112123912,0.23894866698649853,0.25147779453087515
EOS-3-03864,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccc5F)cn4)n23)cc1,JNUPRISKRNQDEE-UHFFFAOYSA-N,3,1,0.552,1,850,441.426,3.065,5,0.43,0.79,1.0,0.6426992666712357,0.33711705846069495,0.5325371804537044,0.42862894935234047,0.4852456137344939
EOS-3-03865,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncc(C)c5Cl)cn4)n23)cc1,YDNPSZUUODJUTG-UHFFFAOYSA-N,3,1,0.373,74,333,456.897,3.632,5,0.439,0.81,1.0,0.20575183332191077,0.22092385717222945,0.4670516071550956,0.40609793708450415,0.324956308683435
EOS-3-03866,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnn5)c4)n23)cc1,VOYBBCWYRQXXGP-UHFFFAOYSA-N,3,1,0.553,43,230,442.414,2.46,5,0.424,0.77,1.0,0.8088547734905078,0.33229387978891095,0.5695291618120759,0.4664519224179289,0.5442824343773559
EOS-3-03867,Cc1nc(-c2cc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccc2F)cs1,AWXDCQFJIDGGKN-UHFFFAOYSA-N,3,1,0.442,62,319,444.495,4.052,5,0.441,0.83,1.0,0.2630988280446851,0.2617024192995682,0.5762284970187102,0.4848022753752313,0.3964580049345487
EOS-3-03868,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cc(F)cnc3OC(F)(F)F)n12,PPYWZLHRYIGBLE-UHFFFAOYSA-N,3,1,0.374,66,861,432.337,3.298,4,0.496,0.76,0.938,0.6198855458844493,0.6445240216571859,0.9383010074703585,0.8511839490096635,0.7634736310054143
EOS-3-03869,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(F)c(F)c5)ncn4)n23)cn1,ABUGJKQSNMJWPN-UHFFFAOYSA-N,3,1,0.346,96,204,444.405,2.948,5,0.454,0.74,0.959,0.28733465835103833,0.2979833458981564,0.5563446645192242,0.5100918374340346,0.4129386265506134
EOS-3-03870,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,OWRYGZXQWAAXBV-UHFFFAOYSA-N,3,1,0.329,0,862,413.441,2.105,5,0.518,0.91,1.0,0.18074497978205742,0.0659738880131588,0.06223870879309163,0.05134158042629018,0.0900747892536495
EOS-3-03871,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccc5C)cn4)n23)cc1,PHFNEZAEQFMVJL-UHFFFAOYSA-N,3,1,0.341,62,139,421.464,3.583,5,0.476,0.85,1.0,0.15598656706188746,0.04680111027345624,0.49118463436364884,0.3551504351997807,0.2622806867246933
EOS-3-03872,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncs5)n4)n23)cc1,DWIVDLODVDOWKU-UHFFFAOYSA-N,3,1,0.337,52,423,439.504,3.869,6,0.446,0.81,1.0,0.1227640326228497,0.06190459872524159,0.13701939551778494,0.18418888355835789,0.12646922760605853
EOS-3-03873,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(F)cc5)n34)c(F)n2)COC1,PBACOLAZNKDTSP-UHFFFAOYSA-N,3,1,0.406,66,646,436.422,2.574,5,0.484,0.72,1.0,0.35470495510931394,0.3761479679254335,0.35737783565211434,0.39092591323418546,0.36978916798026173
EOS-3-03874,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)nc4)n23)cc1,RKGWAEQBUJBBKL-UHFFFAOYSA-N,3,1,0.385,62,3,424.439,4.019,5,0.471,0.84,1.0,0.2441402234253992,0.2875316976218217,0.7243334932492632,0.6679973956548557,0.481000702487835
EOS-3-03875,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)no4)n23)cc1,CGRUKVJVRVOHLF-UHFFFAOYSA-N,3,1,0.341,62,124,422.408,2.762,5,0.427,0.88,1.0,0.197493317798643,0.1323418545678843,0.22542149270098005,0.19249880063052566,0.18693886642450824
EOS-3-03876,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5F)nn4C)n23)cn1,IQAXNAWDUFOVRP-UHFFFAOYSA-N,3,1,0.361,22,336,429.419,2.148,5,0.465,0.74,1.0,0.1313309574395175,0.26691110958810227,0.06824412308957577,0.07141388527174286,0.13447501884723462
EOS-3-03877,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ncc(F)cn4)n23)cc1,IEJACVPWKRUUMJ-UHFFFAOYSA-N,3,1,0.371,74,333,432.444,2.871,5,0.465,0.74,1.0,0.23335446508121443,0.2515506133918169,0.14922726338153655,0.12854670687410047,0.19066976218216708
EOS-3-03878,CCCOc1cncc(F)c1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,IOXGGFIFTONTDD-UHFFFAOYSA-N,3,1,0.369,63,437,432.459,3.673,5,0.479,0.8,1.0,0.452599204989377,0.2617109862243849,0.2183537797272291,0.24180145295044891,0.29361635597286
EOS-3-03879,CC1(NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)CC1,YXJUVUHQGOYRSV-UHFFFAOYSA-N,3,1,0.323,0,862,453.506,3.028,6,0.464,0.77,1.0,0.22519018573093003,0.0802121170584607,0.020937564251936124,0.048771502981289835,0.09377784250565417
EOS-3-03880,Fc1cccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cn5)n4)n23)c1,YXLVDZAIEQLPAL-UHFFFAOYSA-N,3,1,0.529,73,82,434.822,3.41,5,0.414,0.8,1.0,0.6060071276814475,0.7960986224384895,0.419899252964156,0.5138698512781852,0.5839687135905696
EOS-3-03881,Cc1cccc(-c2nncnc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,IKNMWFJBGNKCBT-UHFFFAOYSA-N,3,1,0.312,52,423,449.478,2.906,6,0.434,0.76,0.962,0.16137516277157152,0.017176684257418955,0.05086183263655678,0.07540607223631006,0.07620493797546432
EOS-3-03882,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cncnc5)c4)n23)cc1F,RVRLJOUOQOYWEI-UHFFFAOYSA-N,3,1,0.309,82,582,452.453,3.342,6,0.435,0.79,0.999,0.1920447536152423,0.2108577205126448,0.35375402645466386,0.4222894249880063,0.2947364813926393
EOS-3-03883,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nn5)cc4)n23)cn1,HLAHIKIESSKZCA-UHFFFAOYSA-N,3,1,0.346,62,204,422.452,2.978,5,0.474,0.79,1.0,0.1533136865190871,0.06598245493797547,0.22543005962579674,0.15436741827153724,0.14977340483859913
EOS-3-03884,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)c(F)c1,RJJWYHFLBLLNRA-UHFFFAOYSA-N,3,1,0.33,61,648,460.448,3.375,5,0.431,0.81,1.0,0.32364128572407647,0.23117846617778082,0.4422417928860256,0.41277157151668836,0.3524582790761428
EOS-3-03885,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cn1,AXZJQWFVOAADJC-UHFFFAOYSA-N,3,1,0.327,82,155,453.441,2.737,6,0.431,0.76,0.866,0.19205332054005894,0.1751936125008567,0.05639606606812419,0.09959050099376328,0.13080837502570078
EOS-3-03886,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncncc5Cl)nc4)n23)cc1,SWMTXVNTUIIOBV-UHFFFAOYSA-N,3,1,0.517,89,731,458.869,2.975,5,0.41,0.82,0.999,0.8368172160921116,0.4408882187649921,0.41631827839078883,0.3522119799876636,0.5115589233088891
EOS-3-03887,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)nc(C)nc5C)cn4)n23)nc1,MPNYDDUFUWWLKT-UHFFFAOYSA-N,3,1,0.3,33,432,451.494,2.99,5,0.442,0.75,1.0,0.13668528544993488,0.046809677198272906,0.0862517990542115,0.03194606264135426,0.07542320608594338
EOS-3-03888,NC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccnc(Cl)c5)n4)n23)cc1,INFFDLDMWUNCDF-UHFFFAOYSA-N,3,1,0.396,74,139,428.843,3.063,5,0.436,0.82,1.0,0.14192824343773558,0.1626859022685217,0.3949009663491193,0.38124528819135084,0.27019010006168187
EOS-3-03889,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2)nn1,MCWJTSQJSHBQOG-UHFFFAOYSA-N,3,1,0.432,62,740,422.452,2.641,5,0.461,0.8,1.0,0.2004489068603934,0.061913165650058256,0.23625865259406484,0.16510177506682203,0.16593062504283462
EOS-3-03890,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)c4F)n23)cn1,RYMVSKQSIMJWEK-UHFFFAOYSA-N,3,1,0.345,96,204,426.415,2.809,5,0.47,0.74,0.552,0.23063018298951407,0.2465132615996162,0.2183623466520458,0.2128538139949284,0.22708990130902612
EOS-3-03891,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCCF)cc4)n23)nc1,QZESRUIHDBDSAJ-UHFFFAOYSA-N,3,1,0.333,74,333,443.446,2.348,5,0.428,0.76,1.0,0.0572955931738743,0.058152285655541085,0.17767802069769037,0.12647351106846685,0.10489985264889315
EOS-3-03892,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(C)cn5)c4)n23)cc1,IPPORJZKAAYXGL-UHFFFAOYSA-N,3,1,0.542,89,637,451.49,3.495,5,0.421,0.83,1.0,0.6283068329792337,0.22093242409704614,0.39861901171955316,0.23015900212459736,0.3695043177301076
EOS-3-03893,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(F)cc5)n4)n23)nc1,VLIAKWBLMLBZDW-UHFFFAOYSA-N,3,1,0.327,22,523,427.403,2.204,5,0.463,0.74,0.925,0.19750188472345967,0.21086628743746144,0.19757898704680968,0.2037985744637105,0.20243643341786033
EOS-3-03894,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ncc(F)cn5)n4)n23)cc1,KEGOTRZJXGLQAB-UHFFFAOYSA-N,3,1,0.37,74,333,427.403,2.204,5,0.463,0.74,1.0,0.25486601329586733,0.17051607155095608,0.20108285929682682,0.15984168322938797,0.19657665684325953
EOS-3-03895,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnn5)cn4)n23)cc1F,OINFBJNDKUDZFJ-UHFFFAOYSA-N,3,1,0.361,74,768,427.403,2.204,5,0.463,0.74,1.0,0.24712151326159962,0.22620964978411348,0.287446028373655,0.24754129257761634,0.25207962099924613
EOS-3-03896,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnn5)n4)n23)cc1,VPRBJPKHCASBQM-UHFFFAOYSA-N,3,1,0.474,89,398,456.441,2.721,5,0.414,0.78,1.0,0.539459255705572,0.3854345144267014,0.34208587485436226,0.23895723391131518,0.37648421972448776
EOS-3-03897,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(F)cn5)cn4)n23)cc1,ZONGMHTXIYIYHV-UHFFFAOYSA-N,3,1,0.376,52,916,466.48,3.265,6,0.409,0.82,1.0,0.16409944486327188,0.14699986292920295,0.24004523336303202,0.2714258789664862,0.20564260503049828
EOS-3-03898,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cccc(C)n5)cn4)n23)cc1,UGTVLUSUYWFQBF-UHFFFAOYSA-N,3,1,0.398,62,886,449.518,3.702,5,0.424,0.83,1.0,0.1720238503186896,0.07324720718250977,0.29094133369885544,0.17578473031320677,0.1779992803783154
EOS-3-03899,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cnco5)c4)n23)cc1Cl,ZQWGSUVJDYYNCU-UHFFFAOYSA-N,3,1,0.343,96,648,448.845,4.265,5,0.441,0.87,1.0,0.44069974641902543,0.43683606332670827,0.8153142348022754,0.8031920361866904,0.624010520183675
EOS-3-03900,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(F)cn5)nc4)n23)cc1,STLDLKUIERWSCB-UHFFFAOYSA-N,3,1,0.578,16,863,443.402,1.855,5,0.415,0.75,1.0,0.8530344047700638,0.3422657802755123,0.17768658762250703,0.12440031526283325,0.3743467719827291
EOS-3-03901,CCOc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(C#N)c4)n23)cn1,SSMZDUDLKSRNKW-UHFFFAOYSA-N,3,1,0.333,63,437,425.452,3.016,5,0.504,0.77,1.0,0.287343225275855,0.13599993146460146,0.25783016928243435,0.24181001987526557,0.23074583647453906
EOS-3-03902,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(C)nc5)n4)n23)cc1,FOYPWALVCKTLSM-UHFFFAOYSA-N,3,1,0.447,89,408,453.466,2.285,5,0.411,0.8,1.0,0.48882016311424853,0.19658522376807622,0.1709615516414228,0.06958056336097594,0.23148687547118088
EOS-3-03903,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(OC5CCCCC5)nc4)n23)cc1,UJFQVHSBPBSDQG-UHFFFAOYSA-N,3,1,0.35,0,701,454.534,4.457,6,0.462,0.91,1.0,0.22807723939414706,0.07674251250771023,0.015231992324035364,0.09161469398944555,0.10291660955383455
EOS-3-03904,COc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc(CCF)n1,UTDXAZPGGIBVNC-UHFFFAOYSA-N,3,1,0.318,63,505,448.462,1.98,5,0.434,0.72,0.995,0.17203241724350626,0.0837245562332945,0.009594955794667947,0.008763964087451169,0.06852897333972997
EOS-3-03905,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cc1C,OILXKUWYENKJQK-UHFFFAOYSA-N,3,1,0.349,62,648,439.454,3.722,5,0.458,0.79,1.0,0.28735179220067164,0.18774415735727504,0.5259063806456035,0.4190339935576725,0.35500908094030564
EOS-3-03906,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)nc1,LZKZFKXERWQTRL-UHFFFAOYSA-N,3,1,0.302,52,523,452.453,3.342,6,0.407,0.85,0.999,0.17204098416832295,0.19201905284079226,0.2329175519155644,0.30142724967445683,0.22460120964978408
EOS-3-03907,CN1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)cc2)CC1,BMRAJCCYRAGTDE-UHFFFAOYSA-N,3,1,0.447,52,376,476.544,3.303,6,0.393,0.92,1.0,0.03573264341032143,0.0021331642793502846,0.012284970187101637,0.04604722088958947,0.024049499691590707
EOS-3-03908,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)n2)o1,JURPNGWRBPTAAF-UHFFFAOYSA-N,3,1,0.315,52,423,439.439,2.499,6,0.438,0.73,0.903,0.08957576588307861,0.04304023027893907,0.012293537111918306,0.015497566993352066,0.04010177506682201
EOS-3-03909,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)cc1,OYPHOVWNSLSWRV-UHFFFAOYSA-N,3,1,0.346,62,302,450.477,4.552,6,0.425,0.91,1.0,0.18627921321362484,0.2617195531492016,0.532545747378521,0.6303543280104174,0.4027247104379412
EOS-3-03910,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnn5)n4)n23)cc1,IYMIDVQCPAIPKW-UHFFFAOYSA-N,3,1,0.432,89,398,439.439,1.977,5,0.421,0.78,1.0,0.5632067712973751,0.2209409910218628,0.11698135837159893,0.05686724693304092,0.23949909190596944
EOS-3-03911,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5F)n34)nc2)cn1,ILWDSQRCAQEAPB-UHFFFAOYSA-N,3,1,0.346,52,295,454.469,3.285,6,0.437,0.78,1.0,0.07609999314646014,0.20601740799122747,0.32027448427112604,0.35515900212459733,0.23938772188335278
EOS-3-03912,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnc(CF)o5)cc4)n23)nc1,HJSLLTGZIVXILU-UHFFFAOYSA-N,3,1,0.35,52,740,444.43,2.656,5,0.424,0.75,0.904,0.24174148447673224,0.11860050716194914,0.1279555890617504,0.08421287094784456,0.1431276129120691
EOS-3-03913,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)c(CO)c4)n23)cc1F,URSPJQSZMJUPFV-UHFFFAOYSA-N,3,1,0.33,0,188,421.407,3.121,5,0.517,0.82,1.0,0.3731067096155164,0.28754026454663834,0.7037386059899938,0.7711260365979028,0.5338779041875128
EOS-3-03914,CCc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cn5)n34)cc2)no1,QUYRLOPMCSMNEH-UHFFFAOYSA-N,3,1,0.327,52,582,452.478,3.358,6,0.416,0.83,1.0,0.1446439586046193,0.09942772942224659,0.03275135357412103,0.04466794599410596,0.08037274689877322
EOS-3-03915,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnc(C)s5)nc4)n23)cc1,KZNXTGVBMHTUKP-UHFFFAOYSA-N,3,1,0.429,89,310,443.492,3.77,5,0.441,0.83,1.0,0.5602340483859913,0.3471917620450963,0.2649492838050853,0.13732780481118498,0.32742572476183945
EOS-3-03916,O=C(NCC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)nc1,DTTXWOKCFOZPTQ-UHFFFAOYSA-N,3,1,0.346,66,505,454.416,2.726,5,0.477,0.73,0.975,0.13384963333561783,0.17934000411212392,0.29094990062367215,0.31110787471729145,0.22881185319717634
EOS-3-03917,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnc5)cc4)n23)nc1,MCURVEDERCJRGR-UHFFFAOYSA-N,3,1,0.364,52,916,447.502,3.731,6,0.426,0.82,0.998,0.08697998766362826,0.06599102186279213,0.2362672195188815,0.31111644164210817,0.17508866767185252
EOS-3-03918,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)nn1,BXRCNDJCLJOIEL-UHFFFAOYSA-N,3,1,0.389,62,139,424.424,2.418,5,0.455,0.79,1.0,0.35233191693509697,0.12565108628606675,0.26495785072990197,0.15437598519635393,0.2243292097868549
EOS-3-03919,Cc1nn(C2CCNC2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,BRQZZYFRANHEFE-UHFFFAOYSA-N,3,1,0.305,63,66,429.488,1.785,6,0.497,0.73,1.0,0.07215920773079296,0.004566170927283942,0.002510108971283668,0.0040093208142005345,0.020811202110890274
EOS-3-03920,N#Cc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccc1F,RVXGEZGIYQHPHY-UHFFFAOYSA-N,3,1,0.374,63,505,414.404,2.075,5,0.53,0.81,1.0,0.11182406963196491,0.19659379069289287,0.1338067987115345,0.19250736755534234,0.15868300664793367
EOS-3-03921,CCNC(=O)c1ccc(-c2nnc3cncc(Oc4cnc(C#N)c(F)c4Cl)n23)cn1,FHWVMYFYWXUALQ-UHFFFAOYSA-N,3,1,0.402,90,555,438.81,2.787,4,0.503,0.7,0.999,0.7607172229456515,0.7220032896991296,0.4020286477965869,0.3424713864711123,0.55680513672812
EOS-3-03922,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)c(F)c1,CDOSYLQLNHNNNC-UHFFFAOYSA-N,3,1,0.347,96,648,444.405,2.948,5,0.454,0.73,1.0,0.30328627235967376,0.27204269755328625,0.6904170379000754,0.6393667329175519,0.4762781851826468
EOS-3-03923,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cc(Cl)n2)cn1,CZSJCHXVZBMKAP-UHFFFAOYSA-N,3,1,0.365,82,336,431.847,2.401,5,0.432,0.76,0.999,0.0459872524158728,0.15099204989377013,0.24712151326159962,0.23589027482694813,0.16999777259954768
EOS-3-03924,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cn4ccnc4-c4cccc(F)n4)n23)cc1,PDEUSNGJRPNEIF-UHFFFAOYSA-N,3,1,0.373,52,916,454.469,3.129,6,0.396,0.83,1.0,0.24713008018641627,0.18338359262559112,0.1308769104242341,0.18969741621547528,0.1877719998629292
EOS-3-03925,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nccc(C)n5)cn4)n23)cc1,LJPPNSKTSNNVMD-UHFFFAOYSA-N,3,1,0.489,89,408,453.466,2.285,5,0.411,0.79,1.0,0.45707113974367763,0.20150263861284354,0.1109759440751148,0.043382907271605785,0.20323315742581044
EOS-3-03926,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(C)nn5)nc4)n23)cc1F,ILQSGKDFTKFXIW-UHFFFAOYSA-N,3,1,0.4,85,740,455.457,2.436,5,0.429,0.74,1.0,0.21962168460009596,0.21570659995887875,0.19758755397162633,0.14680282365841957,0.19492966554725516
EOS-3-03927,Cc1cnc(F)cc1-n1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,JXUKAIJVVXRLDB-UHFFFAOYSA-N,3,1,0.33,74,246,454.469,3.379,6,0.409,0.85,0.998,0.04599581934068946,0.1433075183332191,0.272282571448153,0.2984202590638065,0.19000154204646702
EOS-3-03928,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nn4)n23)nc1,NKQBJRDCSFQODT-UHFFFAOYSA-N,3,1,0.29,63,108,415.417,0.895,5,0.49,0.88,1.0,0.10436227811664725,0.03337673908573778,0.0071362483722842845,0.004017887739017202,0.03722328832842162
EOS-3-03929,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncn5C)cc4F)n23)cc1F,NKKGIZVPWPDNMI-UHFFFAOYSA-N,3,1,0.34,74,768,446.421,2.892,5,0.455,0.71,1.0,0.257504626139401,0.24152731135631553,0.5661966280583921,0.487569392091015,0.3881994894112809
EOS-3-03930,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnoc5)cc4)n23)cc1,RLEJDYZFFKLXNP-UHFFFAOYSA-N,3,1,0.512,62,637,438.447,4.131,6,0.425,0.89,1.0,0.547323692687273,0.23604447947364815,0.36847200328969915,0.3842265780275512,0.38401668836954284
EOS-3-03931,O=C(NC1COC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)cc1,UBMBXBWINSAESZ-UHFFFAOYSA-N,3,1,0.32,74,139,456.491,2.5,6,0.428,0.79,1.0,0.0740610650400932,0.03634946199712151,0.18408608046055788,0.162446028373655,0.1142356589678569
EOS-3-03932,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(C)n(C)n5)nn4)n23)cc1,KSYVZDVARKSTQR-UHFFFAOYSA-N,3,1,0.392,52,740,439.483,2.241,5,0.446,0.73,1.0,0.10177506682201357,0.06947776026317593,0.08626036597902817,0.03617812350078816,0.07342282914125145
EOS-3-03933,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)cn1,SGBVERKZGRQCLH-UHFFFAOYSA-N,3,1,0.366,96,95,451.465,3.947,6,0.435,0.82,1.0,0.1835206634226578,0.21087485436227812,0.32381262422040985,0.447673223219793,0.2914703413062847
EOS-3-03934,O=C(c1ncc(Cc2cncc3nnc(-c4ccc(F)nc4)n23)cn1)N1CCCCC1,RDQOQVASVIAANF-UHFFFAOYSA-N,3,1,0.407,78,345,418.436,2.332,5,0.469,0.82,0.999,0.047357960386539645,0.08022068398327736,0.0003255431430333767,0.0025700774450003426,0.03261856623946268
EOS-3-03935,CCCc1ncc(OCC)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,AARCNIYERRZFKW-UHFFFAOYSA-N,3,1,0.356,63,792,443.511,3.492,5,0.444,0.85,1.0,0.19751045164827633,0.09316530738126243,0.01586594476046878,0.016088684805702146,0.08065759714892741
EOS-3-03936,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncnc4-c4ncc(C)cn4)n23)cc1,LUOUGMCQNMKVCU-UHFFFAOYSA-N,3,1,0.326,74,333,423.44,2.373,5,0.467,0.78,1.0,0.2196302515249126,0.05404872866835721,0.12796415598656707,0.07729936262079364,0.11973562470015763
EOS-3-03937,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)cc1,NVIAGHXDJCJYIY-UHFFFAOYSA-N,3,1,0.344,62,366,432.487,4.413,6,0.445,0.91,1.0,0.14465252552943594,0.058160852580357754,0.36478822561853197,0.4570197381947776,0.25615533548077585
EOS-3-03938,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(C)c4)n23)c(C)n1,XQAWKDOHWGBBSC-UHFFFAOYSA-N,3,1,0.353,63,334,415.501,3.108,5,0.523,0.9,1.0,0.047366527311356314,0.012953190322801728,0.027011513946953603,0.024415735727503256,0.027936741827153725
EOS-3-03939,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccn(C(F)F)n4)n23)c(F)c1,AUVXDLOLJXBPMY-UHFFFAOYSA-N,3,1,0.36,63,437,413.363,3.081,5,0.543,0.86,0.995,0.16410801178808854,0.31309540127475843,0.49796963881844974,0.5534490439311904,0.3821555239531218
EOS-3-03940,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5)cn4)n23)cc1,HTNKHJCPDWLEJL-UHFFFAOYSA-N,3,1,0.471,89,943,438.451,2.582,5,0.43,0.77,1.0,0.5632153382221917,0.26172812007401824,0.2649664176547187,0.1518830100747036,0.31044822150640805
EOS-3-03941,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccn5C)nc4)n23)cc1F,DMIBTYMJBHWORX-UHFFFAOYSA-N,3,1,0.5,89,788,458.457,2.665,5,0.416,0.83,1.0,0.5827650606538277,0.3520149407168803,0.3610873140977315,0.23301178808854772,0.3822197758892468
EOS-3-03942,CCc1nc(-c2ccsc2)cc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)n1,SBUITXUFOKBXLV-UHFFFAOYSA-N,3,1,0.35,74,333,441.52,3.899,5,0.444,0.84,1.0,0.16138372969638817,0.05816941950517442,0.1615979028168049,0.10385682955246385,0.12125197039270784
EOS-3-03943,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(Cl)nn5)n4)n23)cc1F,HOVVVLVFOGOQDX-UHFFFAOYSA-N,3,1,0.356,74,768,461.848,2.857,5,0.433,0.76,1.0,0.30840929340004114,0.3230073332876431,0.2764032622849702,0.30143581659927354,0.30231392639298194
EOS-3-03944,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc(C(F)(F)F)cn4)n23)cc1F,OTGSAKHZONBYPI-UHFFFAOYSA-N,3,1,0.527,68,12,461.379,2.72,4,0.44,0.76,1.0,0.6338924679597012,0.5122678363374683,0.8300150777876774,0.6274844081968337,0.6509149475704201
EOS-3-03945,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5nnc(C)n5C)c4)n23)nc1,WKOQAZBHIQTUHY-UHFFFAOYSA-N,3,1,0.306,33,432,426.444,1.712,5,0.46,0.73,1.0,0.05911178123500788,0.015660338564868755,0.02483551504351998,0.010545884449318072,0.027538379823178673
EOS-3-03946,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5noc(C)n5)c4)n23)cc1F,DSGZVEZDKGAYHS-UHFFFAOYSA-N,3,1,0.463,89,788,460.429,2.622,5,0.406,0.83,1.0,0.4987149612774998,0.3949009663491193,0.23292611884038106,0.14422417928860257,0.3176915564389007
EOS-3-03947,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)cn2)n(C)n1,KNRZZHSXMZIMRI-UHFFFAOYSA-N,3,1,0.308,52,336,451.494,2.849,6,0.437,0.8,1.0,0.09444177917894593,0.05817798642999109,0.040915632924405455,0.04605578781440614,0.059897796586937155
EOS-3-03948,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)cn1,NBECYQUHKCWGOG-UHFFFAOYSA-N,3,1,0.304,98,866,435.455,2.444,6,0.414,0.78,1.0,0.06273559043245837,0.061921732574874926,0.15835960523610446,0.15438455212117058,0.10935037009115207
EOS-3-03949,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5nncn5C)cn4)n23)cc1Cl,ZBOLKAMSVLOSQQ-UHFFFAOYSA-N,3,1,0.361,74,413,446.862,2.057,5,0.444,0.72,1.0,0.22808580631896375,0.2617366869988349,0.11374306079089849,0.12648207799328354,0.18251190802549516
EOS-3-03950,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnsc5)cc4)n23)cc1,TYBHCVKJNBOTJW-UHFFFAOYSA-N,3,1,0.418,62,319,426.505,3.865,5,0.461,0.81,1.0,0.2222174628195463,0.0931738743060791,0.5158488109108355,0.412780138441505,0.3110050716194915
EOS-3-03951,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccc(F)n5)n4)n23)cc1,LVFZFHIVNWBNEV-UHFFFAOYSA-N,3,1,0.394,14,357,426.415,2.472,5,0.428,0.79,1.0,0.21684600095949558,0.15505277225687067,0.25783873620725106,0.2212579672400795,0.2127488691659242
EOS-3-03952,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccnc5F)c4)n23)cn1,WXLBSEFLVKZODB-UHFFFAOYSA-N,3,1,0.421,14,290,426.415,2.472,5,0.428,0.79,0.998,0.20576040024672743,0.17934857103694057,0.3238211911452265,0.2862123912000548,0.24878563840723733
EOS-3-03953,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(Cl)ccnc5F)cn4)n23)cn1,IXVBHKUAOXTDKS-UHFFFAOYSA-N,3,1,0.365,82,204,460.86,3.462,5,0.409,0.85,1.0,0.25751319306421766,0.33230244671372766,0.5087468302378179,0.50002570077445,0.39964704269755325
EOS-3-03954,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnn5)c4)n23)nc1,HJQFPPCJOXOTCB-UHFFFAOYSA-N,3,1,0.376,85,647,441.43,2.128,5,0.44,0.7,0.925,0.18352923034747448,0.1470084298540196,0.32745356726749364,0.27143444589130283,0.23235641834007265
EOS-3-03955,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5F)cn4)n23)cc1,CNYYHBFXDPLQNS-UHFFFAOYSA-N,3,1,0.406,62,3,442.429,4.158,5,0.452,0.84,1.0,0.3006305256665068,0.2930145295044891,0.8514066890548968,0.805342334315674,0.5625985196353918
EOS-3-03956,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5nc(C)nn5C)n4)n23)cc1,UJDIRIPFRYHCIL-UHFFFAOYSA-N,3,1,0.353,74,333,443.446,2.456,5,0.454,0.75,1.0,0.1694966074977726,0.19202761976560895,0.08626893290384484,0.05983140291960798,0.1269061407717086
EOS-3-03957,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)nc1)N1CCOCC1,PNZALHFTHDWPCY-UHFFFAOYSA-N,3,1,0.357,52,821,465.477,2.178,6,0.393,0.85,1.0,0.01106846686313481,0.0002827085189500377,0.007915838530601056,0.022822287711603044,0.010522325406072237
EOS-3-03958,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)nc1,WQQDDMADTKRCKJ-UHFFFAOYSA-N,3,1,0.338,98,654,451.429,2.64,6,0.398,0.79,1.0,0.1920618874648756,0.3131039681995751,0.155095606880954,0.247549859502433,0.22695283051195944
EOS-3-03959,CCc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(C(F)(F)F)nn3)n12,JQVGYRHVTJWEFQ-UHFFFAOYSA-N,3,1,0.346,66,264,467.455,3.646,5,0.465,0.79,0.998,0.21147453909944486,0.22094955794667945,0.5427232540607224,0.4476817901446097,0.3557072853128641
EOS-3-03960,CCn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cn4)n23)c1,XXBISQCRTDYXTJ-UHFFFAOYSA-N,3,1,0.27,74,523,425.456,2.491,5,0.46,0.79,1.0,0.05912034815982455,0.03338530601055445,0.08865053800287849,0.05824652182852443,0.05985067850044549
EOS-3-03961,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5F)cn4)n23)cc1F,JFPJMPHWJGEJID-UHFFFAOYSA-N,3,1,0.349,96,802,461.407,3.692,5,0.41,0.86,1.0,0.3084178603248578,0.38544308135151806,0.822544719347543,0.7733448701254197,0.5724376327873346
EOS-3-03962,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)nc1)N1CCOCC1,UIMFPQVDSCGNKK-UHFFFAOYSA-N,3,1,0.394,52,229,464.489,2.783,6,0.399,0.84,1.0,0.03186039339318758,0.000668220135700089,0.006776437529984237,0.021168871221986157,0.015118480570214515
EOS-3-03963,O=C(c1ccc(-c2cncc3nnc(-c4cnn(-c5ccc(F)cc5)c4)n23)nc1)N1CCOCC1,PPRULNAJMQFTTO-UHFFFAOYSA-N,3,1,0.394,52,229,470.468,2.65,6,0.398,0.83,0.998,0.007247618394900966,0.010023302035501336,0.022916523884586388,0.09350798437392914,0.033423857172229454
EOS-3-03964,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncccn5)cn4)n23)cn1,ILPMNWDWCSSLME-UHFFFAOYSA-N,3,1,0.385,85,290,423.44,1.989,5,0.455,0.77,1.0,0.14193681036255226,0.07325577410732644,0.07904701528339388,0.04467651291892262,0.0847290281680488
EOS-3-03965,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5ncc(F)cn5)cc4F)n23)cc1,YTEWUAJGIRWZQE-UHFFFAOYSA-N,3,1,0.35,74,582,470.443,3.481,6,0.419,0.87,1.0,0.2735676101706531,0.25155918031663355,0.28745459529847167,0.37493146460146665,0.29687821259680625
EOS-3-03966,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cncs5)n4)n23)cc1,MRZBDALQGYASBK-UHFFFAOYSA-N,3,1,0.406,14,357,427.493,3.26,5,0.462,0.75,1.0,0.1313395243643342,0.09643787266122952,0.2291652388458639,0.1492443972311699,0.15154675827564937
EOS-3-03967,Cn1cc(-c2cc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccc2F)cn1,MLTOGOAUQNBIAB-UHFFFAOYSA-N,3,1,0.441,14,319,427.443,3.021,5,0.464,0.76,1.0,0.254874580220684,0.21571516688369544,0.6607155095606881,0.559985607566308,0.42282271605784394
EOS-3-03968,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)cc4Cl)n23)cc1,RBEGYZKSPKVFBC-UHFFFAOYSA-N,3,1,0.469,0,999,443.841,4.463,4,0.475,0.83,1.0,0.7520560619560003,0.8886042766088684,0.9084367075594545,0.8725070248783496,0.8554010177506682
EOS-3-03969,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(F)nc5)n4)n23)nc1,BKPIWOWFEQEVSS-UHFFFAOYSA-N,3,1,0.305,33,432,427.403,2.204,5,0.433,0.78,0.853,0.24713864711123296,0.19660235761770956,0.20109142622164347,0.15716023576177096,0.20049816667808923
EOS-3-03970,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cnc(C(F)(F)F)cn4)n23)nc1,ABGDMALXWPNYHA-UHFFFAOYSA-N,3,1,0.436,63,108,470.415,2.509,5,0.438,0.79,0.994,0.3731152765403331,0.27205126447810296,0.357386402576931,0.28622095812487147,0.3221934754300596
EOS-3-03971,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cc4OC)n23)cn1,QKIIFACLOSTYFU-UHFFFAOYSA-N,3,1,0.333,61,336,442.443,1.412,5,0.428,0.8,1.0,0.31383215680899185,0.12197587553971627,0.052695154547323694,0.017879172092385716,0.1265955897471044
EOS-3-03972,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)nc1,QOUPHRWTRAPYDR-UHFFFAOYSA-N,3,1,0.375,25,74,449.453,3.85,6,0.403,0.86,1.0,0.2417500514015489,0.37123055308066616,0.4705126447810294,0.5760914262216434,0.414896168871222
EOS-3-03973,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cncc(F)c5)cn4)n23)nn1)N1CCC1,ZXRWSGGPAOUEFD-UHFFFAOYSA-N,3,1,0.33,52,821,453.441,2.69,6,0.408,0.82,0.951,0.12543691316565006,0.14331608525803577,0.008318483996984443,0.05390309094647385,0.08274364334178602
EOS-3-03974,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cn4)n23)cn1,RRXOLURDJQPFRF-UHFFFAOYSA-N,3,1,0.34,82,204,439.504,3.869,6,0.446,0.81,0.996,0.12544548009046672,0.08697998766362826,0.09807415530121308,0.15716880268658762,0.11691710643547393
EOS-3-03975,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4Cl)n23)cc1F,HKWANPXJLUZPCG-UHFFFAOYSA-N,3,1,0.418,0,646,456.308,4.72,5,0.472,0.83,1.0,0.3410150092522788,0.4585103831128778,0.7473356863820163,0.887893221849085,0.6086885751490645
EOS-3-03976,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cc5F)nc4)n23)nc1,YWGAVHNDAVHFNK-UHFFFAOYSA-N,3,1,0.308,74,776,470.443,3.481,6,0.419,0.86,1.0,0.26310739496950175,0.2720598314029196,0.30900897813720785,0.4095247070111713,0.3134252278802001
EOS-3-03977,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nncn5C)cc4)n23)cn1,UNWQVRRICRARRU-UHFFFAOYSA-N,3,1,0.381,85,740,425.456,1.932,5,0.457,0.78,1.0,0.1667037900075389,0.09318244123089575,0.09808272222602975,0.0582550887533411,0.10405601055445139
EOS-3-03978,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(C(F)F)cn5)n34)cc2)CC1,BJYLLUMAGVSZLM-UHFFFAOYSA-N,3,1,0.421,66,334,434.45,3.997,5,0.496,0.77,1.0,0.29825748749228975,0.18339215955040777,0.4565142896305942,0.5101004043588514,0.36206608525803574
EOS-3-03979,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cnc(Cl)nc5)o4)n23)cc1,AODOMNSUKXTNTN-UHFFFAOYSA-N,3,1,0.366,74,333,433.819,2.311,5,0.423,0.82,1.0,0.2196388184497293,0.2772171201425536,0.12797272291138373,0.10589575765883079,0.18268110479062435
EOS-3-03980,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4cccc(F)c4)n23)c(F)c1,NUQINKJNUDJJON-UHFFFAOYSA-N,3,1,0.388,96,3,448.458,4.22,5,0.445,0.84,1.0,0.2030532520046604,0.32768487423754367,0.6465715166883695,0.645115139469536,0.4556061956000274
EOS-3-03981,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cn4)n23)cc1F,YAONLPMWCRGNEO-UHFFFAOYSA-N,3,1,0.367,62,802,442.429,4.158,5,0.452,0.83,1.0,0.29826605441710646,0.32301590021245974,0.8243437735590432,0.8073641285724077,0.5632474641902543
EOS-3-03982,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5C)n34)nc2)o1,KHVKKFGVSOMDNP-UHFFFAOYSA-N,3,1,0.302,52,295,452.478,3.412,6,0.43,0.82,1.0,0.09685765197724625,0.05043348639572339,0.06628229730655884,0.06958913028579261,0.07079064149133027
EOS-3-03983,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(-c5cncnc5)n4)n23)nc1,VCMJKSSCIZBFOR-UHFFFAOYSA-N,3,1,0.418,33,53,453.466,2.019,5,0.393,0.8,0.876,0.3892639298197519,0.09319100815571242,0.11375162771571516,0.05826365567815777,0.1636175553423343
EOS-3-03984,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5F)cc4F)n23)cc1,KDVBAXXIXHFBJY-UHFFFAOYSA-N,3,1,0.43,96,3,446.392,4.037,5,0.449,0.79,1.0,0.31872387087930915,0.39998971969022,0.917911726406689,0.904812898362004,0.6353595538345556
EOS-3-03985,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)nc4)n23)cc1,RUEZIHFEYXEDHZ-UHFFFAOYSA-N,3,1,0.429,62,3,426.867,4.273,5,0.462,0.87,1.0,0.23336303200603112,0.25645089438695085,0.7397539579192653,0.7557227057775341,0.49632264752244537
EOS-3-03986,CCc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC)cn4)n23)cc(-c2cncnc2)n1,OJNPMAPLSXTQJR-UHFFFAOYSA-N,3,1,0.286,33,432,437.467,2.627,5,0.445,0.74,0.877,0.09686621890206291,0.020689123432252758,0.1583681721609211,0.08422143787266123,0.0900362380919745
EOS-3-03987,Fc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,XPPUDLXGLRSKBX-UHFFFAOYSA-N,3,1,0.337,32,179,436.414,3.235,6,0.447,0.76,1.0,0.2441487903502159,0.3276934411623604,0.4493266397094099,0.49684737166746623,0.3795040607223631
EOS-3-03988,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)s3)n12,QOKUNWVZKZKNQB-UHFFFAOYSA-N,3,1,0.323,52,523,442.508,3.208,6,0.448,0.79,0.999,0.02838222191762045,0.03635802892193818,0.007538893838667672,0.014341032143101912,0.021655044205332052
EOS-3-03989,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4OC)n23)cc1,BLNJZNBABGMWBB-UHFFFAOYSA-N,3,1,0.345,62,124,437.463,3.284,5,0.45,0.77,1.0,0.3288328421629772,0.11860907408676581,0.5495082585155233,0.3585258035775478,0.3388689945857035
EOS-3-03990,Cc1nocc1-c1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ncn1,YNNMYFIVPMCJGV-UHFFFAOYSA-N,3,1,0.357,52,916,452.478,3.028,6,0.417,0.81,1.0,0.1747652662600233,0.054057295593173876,0.07478925364950997,0.07914125145637722,0.0956882667397711
EOS-3-03991,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)cn4)n23)cc1,WKJIRBJXLMDBKE-UHFFFAOYSA-N,3,1,0.482,89,943,443.492,3.248,5,0.429,0.78,1.0,0.5660938249605921,0.27206839832773627,0.26497498457953533,0.1571773696114043,0.315078644369817
EOS-3-03992,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)n5)nc4)n23)cn1,CUUMNEVSAJKDDK-UHFFFAOYSA-N,3,1,0.365,82,204,426.415,2.809,5,0.44,0.8,0.996,0.27111746967308614,0.2157237338085121,0.3202830511959427,0.2686330614762525,0.26893932903844836
EOS-3-03993,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)nc5)ccn4)n23)cc1,SGKFIENGLIKZJM-UHFFFAOYSA-N,3,1,0.5,89,731,452.478,2.89,5,0.418,0.79,1.0,0.46408745116852856,0.1966109245425262,0.3312658488109108,0.15985025015420465,0.28795361866904257
EOS-3-03994,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccoc5)cn4)n23)cc1,HXLNKPXSZQRZJE-UHFFFAOYSA-N,3,1,0.461,89,943,453.462,3.313,6,0.398,0.86,1.0,0.41999348913713935,0.1510006168185868,0.15228565554108697,0.15439311904598726,0.21941822013570011
EOS-3-03995,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnn(C)n5)cc(F)c4Cl)n23)cc1,KQRLJCFPJPSCKE-UHFFFAOYSA-N,3,1,0.36,61,917,463.864,2.801,5,0.435,0.76,1.0,0.3312829826605442,0.3371256253855116,0.41241176067438834,0.39999828661503667,0.3702046638338702
EOS-3-03996,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)ncc4Oc4ccc(F)cc4)n23)cc1,ONUSJCANEVETBG-UHFFFAOYSA-N,3,1,0.371,62,586,455.453,3.848,5,0.429,0.86,1.0,0.5661023918854088,0.5304811184977041,0.4809728599821808,0.3749400315262833,0.48812410047289423
EOS-3-03997,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(C)nc5)n4)n23)cc1,BDIFSLZCFJNZAR-UHFFFAOYSA-N,3,1,0.33,29,849,423.44,2.373,5,0.467,0.75,1.0,0.20306181892947708,0.05818655335480776,0.12798128983620038,0.06445754232060859,0.11342180111027345
EOS-3-03998,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)nc4)n23)cn1,VQVJWGNGSKVSST-UHFFFAOYSA-N,3,1,0.389,85,260,427.403,1.867,5,0.449,0.74,0.992,0.20866458775957783,0.1665153176615722,0.14018059077513537,0.11981701048591598,0.15879437667055035
EOS-3-03999,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nn[nH]n5)nc4)n23)cc1,YAZBBPCRZCSWDT-UHFFFAOYSA-N,3,1,0.349,52,916,438.455,1.849,6,0.409,0.86,1.0,0.10178363374683023,0.0659995887876088,0.042380577068055654,0.05827222260297444,0.06710900555136728
EOS-3-04000,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(C5CC5)nc4C(F)F)n23)nc1,SWTAXVLJGLXDQR-UHFFFAOYSA-N,3,1,0.286,63,108,436.426,3.215,6,0.498,0.73,0.999,0.05730416009869097,0.132350421492701,0.040924199849222125,0.12440888218764992,0.088746915907066
EOS-3-04001,CCc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC)cn4)n23)nc(C2CC(F)(F)C2)n1,XZQZOSNZDHIIDS-UHFFFAOYSA-N,3,1,0.282,63,108,451.441,2.473,5,0.491,0.71,0.031,0.13917826057158522,0.1877527242820917,0.03673497361387156,0.040881365225138785,0.10113683092317181
EOS-3-04002,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)cn1,KRTJAZAGIAAONX-UHFFFAOYSA-N,3,1,0.315,82,974,426.444,1.886,5,0.451,0.79,0.994,0.11998834898224933,0.054065862517990546,0.022925090809403057,0.01055445137413474,0.051883438420944415
EOS-3-04003,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cn5)s4)n23)cc1F,GTNXTBGPSMADIP-UHFFFAOYSA-N,3,1,0.36,96,802,449.446,3.615,5,0.45,0.75,1.0,0.25488314714550064,0.2720769652525529,0.48801487218148176,0.46646048934274553,0.3703588684805702
EOS-3-04004,Cn1cc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)cn2)cn1,ZOGMIWSVUMCBCF-UHFFFAOYSA-N,3,1,0.318,94,151,438.43,2.974,6,0.417,0.79,1.0,0.013612843533685148,0.13986361455691865,0.4239428414776232,0.45064594613117676,0.25701631142485093
EOS-3-04005,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,XZVXKGXOFGUUMS-UHFFFAOYSA-N,3,1,0.838,48,378,456.333,4.469,4,0.444,0.87,1.0,0.6339010348845179,0.44535158659447605,0.7295079158385306,0.6997464190254267,0.6271267390857378
EOS-3-04006,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccccn5)s4)n23)cc1,CKHZDWWIALEBFV-UHFFFAOYSA-N,3,1,0.411,62,319,426.505,3.865,5,0.461,0.83,1.0,0.16950517442258928,0.10601569460626413,0.32029161812075935,0.23896580083613186,0.20869457199643615
EOS-3-04007,Cc1c(F)cc(-c2cnn(C)c2)cc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,LXHOYQURFJCOHM-UHFFFAOYSA-N,3,1,0.396,61,124,427.443,3.405,5,0.473,0.78,1.0,0.197519018573093,0.1920361866904256,0.6986498526488931,0.5697947364813927,0.4144999485984511
EOS-3-04008,Fc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3cnc(-c4ccccc4)nc3)n12,KEEUZPQXRFGBSE-UHFFFAOYSA-N,3,1,0.351,42,553,436.414,3.235,6,0.447,0.74,1.0,0.2982746213419231,0.33713419231032826,0.40904495922143785,0.47270577753409637,0.3792898876019464
EOS-3-04009,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)nc1,HPOGXSJIJOPIQS-UHFFFAOYSA-N,3,1,0.323,52,376,450.506,3.49,6,0.416,0.82,1.0,0.047375094236172983,0.005414296484134056,0.005834075800150778,0.021177438146802823,0.01995022616681516
EOS-3-04010,Cc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)nn1,SEMPULBWBXNKSP-UHFFFAOYSA-N,3,1,0.318,74,295,439.443,1.425,6,0.43,0.75,1.0,0.05731272702350764,0.027431293262970325,0.005508532657117401,0.00672503598108423,0.0242443972311699
EOS-3-04011,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnco5)n4)n23)cc1,ULDQFNZNXCVSMV-UHFFFAOYSA-N,3,1,0.337,52,423,423.436,3.401,6,0.461,0.82,1.0,0.19465766568432596,0.06193029949969159,0.15510417380577068,0.18970598314029197,0.15034953053252004
EOS-3-04012,Cc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,MSWFYISAIBOAMQ-UHFFFAOYSA-N,3,1,0.529,0,536,451.889,4.363,5,0.471,0.81,1.0,0.6731718182441231,0.5443938043999725,0.6405061339181687,0.7136591049276951,0.6429327153724899
EOS-3-04013,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccc(C#N)n5)nn4)n23)cc1,KBGNNTLJEZEEBZ-UHFFFAOYSA-N,3,1,0.379,62,310,449.434,2.667,5,0.428,0.77,0.994,0.7280258378452471,0.3712391200054828,0.32382975807004316,0.19774175861832635,0.4052091186347748
EOS-3-04014,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccnc(F)c5)n4)n23)cc1,GYTZPDBBTJFHFQ-UHFFFAOYSA-N,3,1,0.417,96,139,429.39,3.292,5,0.439,0.82,1.0,0.24175861832636555,0.2311870331025975,0.6931927215406758,0.6535878281132205,0.45493155027071486
EOS-3-04015,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(F)c4)n23)c(F)c1,JOYQZFUPSCCOKL-UHFFFAOYSA-N,3,1,0.427,23,646,439.441,4.328,4,0.514,0.77,0.999,0.4109039819066548,0.512276403262285,0.8998526488931533,0.7921064354739222,0.6537848673840039
EOS-3-04016,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(Cl)c4)n23)cc1F,DFTBWHOKXINFHR-UHFFFAOYSA-N,3,1,0.516,0,646,453.88,4.4,5,0.469,0.82,1.0,0.4293400041121239,0.5216057843876362,0.6986584195737098,0.8261428277705435,0.6189367589610033
EOS-3-04017,CCNC(=O)c1ccc(-c2nnc3cncc(Oc4ncc(-c5cncn5C)cn4)n23)cc1,MUISDZHMCCHLTQ-UHFFFAOYSA-N,3,1,0.385,89,943,441.455,2.524,5,0.426,0.8,1.0,0.42464532931258997,0.16652388458638887,0.14297340826536906,0.051350147351106844,0.1963731923788637
EOS-3-04018,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)cn2)o1,MTMGZHJYJLZBPO-UHFFFAOYSA-N,3,1,0.295,70,392,434.423,3.064,6,0.407,0.82,1.0,0.14194537728736892,0.10281166472483037,0.08130868343499417,0.08251661983414434,0.10214558632033445
EOS-3-04019,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)nc1,PZLNHDUJSQJADS-UHFFFAOYSA-N,3,1,0.345,10,654,451.429,2.64,6,0.398,0.78,1.0,0.1720495510931396,0.2772256870673703,0.14923583030635323,0.23897436776094852,0.2093713590569529
EOS-3-04020,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)c5)n34)cc2)CC1,FSUKVTRJOWKZHI-UHFFFAOYSA-N,3,1,0.318,74,450,437.467,2.716,6,0.449,0.77,1.0,0.03319683366458776,0.022942224659036392,0.06020834761154136,0.08961003358234527,0.051489359879377694
EOS-3-04021,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1,VWHPOFQYGROXQB-UHFFFAOYSA-N,3,1,0.549,0,536,418.432,2.839,5,0.464,0.87,1.0,0.6455349187855527,0.3029178945925571,0.1941350832705092,0.23016756904941402,0.3431888664245083
EOS-3-04022,CNC(=O)c1ccc(-c2nnc3cncc(Cn4ccnc4-c4cncc(F)c4)n23)cc1,NFCJGJDFBBMQTJ-UHFFFAOYSA-N,3,1,0.414,14,357,428.431,2.597,5,0.462,0.74,1.0,0.2575217599890343,0.21088342128709478,0.3165307381262422,0.2595092865465013,0.2611113014872182
EOS-3-04023,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cccnc5)n4)n23)cc1,ZQMOGJMEYDPXEW-UHFFFAOYSA-N,3,1,0.402,62,319,421.464,3.199,5,0.468,0.78,1.0,0.12842676992666713,0.06600815571242546,0.3459324240970461,0.2567079021314509,0.1992688129668974
EOS-3-04024,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(C(F)F)n4)n23)cc1F,KJINZSUTDLDPDZ-UHFFFAOYSA-N,3,1,0.346,68,861,417.326,2.824,4,0.513,0.8,1.0,0.3236498526488932,0.39999828661503667,0.7192019052840792,0.6274929751216504,0.5175857549174149
EOS-3-04025,O=C(NCc1cncc2nnc(-c3cccc(-c4cncnc4)c3)n12)c1ccc(Cl)c(F)c1,LRYKGRLIZFYDPI-UHFFFAOYSA-N,3,1,0.581,14,358,459.872,3.971,5,0.427,0.83,1.0,0.26582311013638543,0.35202350764169693,0.7543262970324173,0.7635186073607018,0.5339228805428003
EOS-3-04026,CCc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,MQIVXBIBWCTDIR-UHFFFAOYSA-N,3,1,0.408,63,334,416.46,3.371,5,0.521,0.81,1.0,0.2280943732437804,0.18776129120690838,0.15229422246590363,0.19493180727845932,0.19077042354876295
EOS-3-04027,Cc1cccc(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)ncn2)n1,WSKHZRRPXYVEPI-UHFFFAOYSA-N,3,1,0.327,85,290,463.505,2.83,6,0.408,0.82,0.999,0.08958433280789528,0.03636659584675485,0.03807141388527174,0.04468507984373929,0.05217685559591529
EOS-3-04028,OCc1cc(-c2nnc3cncc(Cc4ccnc(-c5cnccn5)c4)n23)ccc1Cl,XIRWEGXOVNAWRU-UHFFFAOYSA-N,3,1,0.352,85,540,429.871,3.38,5,0.457,0.77,1.0,0.3385049002809951,0.4631622232883284,0.690425604824892,0.7050921801110274,0.5492962271263108
EOS-3-04029,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cn(-c4ccccc4)cn3)n12,IMKWIHZGFMFSJC-UHFFFAOYSA-N,3,1,0.32,52,582,451.49,3.545,6,0.424,0.84,0.975,0.16139229662120486,0.09319957508052909,0.21837091357686245,0.22126653416489617,0.17355732986087313
EOS-3-04030,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)cc5)s4)n23)cc1F,UDVRUYSVIFFXRT-UHFFFAOYSA-N,3,1,0.351,96,574,449.446,3.615,5,0.45,0.79,1.0,0.22519875265574668,0.347200328969913,0.459872524158728,0.4875779590158317,0.3799623912000548
EOS-3-04031,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnn5)c4)n23)cc1,ADCTWAHUFKMKMR-UHFFFAOYSA-N,3,1,0.534,89,637,456.441,2.721,5,0.414,0.8,1.0,0.7837108491535878,0.40923343156740455,0.5626156534850251,0.4286375162771571,0.5460493626207936
EOS-3-04032,Cc1cc(-c2cncc3nnc(-c4ccc(C(=O)NCC(F)F)cc4)n23)cnc1OCCO,FRERXQHRAGLNQZ-UHFFFAOYSA-N,3,1,0.352,0,999,454.437,2.528,4,0.42,0.87,1.0,0.36383729696388184,0.11536220958124871,0.5695377287368926,0.3585343705023645,0.3518179014460969
EOS-3-04033,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)ns4)n23)cc1,YFNOAGXWTSHVGT-UHFFFAOYSA-N,3,1,0.386,62,837,445.483,3.866,5,0.441,0.82,1.0,0.10923685833733124,0.22095812487149613,0.2329346857651977,0.2330203550133644,0.19903750599684736
EOS-3-04034,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cncc(F)c5)s4)n23)cc1F,PFRRRDKGUGYNAW-UHFFFAOYSA-N,3,1,0.333,74,768,450.434,3.01,5,0.448,0.76,0.999,0.20867315468439449,0.21089198821191146,0.3165393050510589,0.3362517990542115,0.2680890617503941
EOS-3-04035,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(F)nc5F)n4)n23)nc1,NIDZLCHVHNXXSP-UHFFFAOYSA-N,3,1,0.298,76,776,444.405,2.948,5,0.424,0.76,1.0,0.2388972654375985,0.21090055513672812,0.4493352066342266,0.3909344801590021,0.3225168768418888
EOS-3-04036,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)n1C,OZDIVOQNWCKBMT-UHFFFAOYSA-N,3,1,0.333,62,302,449.518,4.059,6,0.437,0.85,1.0,0.1587194160784045,0.05407442944280721,0.24354053868823247,0.25043691316565003,0.17669282434377354
EOS-3-04037,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnn5)c4)n23)cn1,FZOKBOQLHFRHKS-UHFFFAOYSA-N,3,1,0.382,85,290,441.43,2.128,5,0.44,0.73,1.0,0.20868172160921117,0.20602597491604413,0.3018213282160236,0.25356384072373384,0.24252321636625318
EOS-3-04038,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnn(C)n5)cc4)n23)cn1,ANGMBSRBXGKPMU-UHFFFAOYSA-N,3,1,0.378,85,784,426.444,1.327,5,0.446,0.79,1.0,0.15599513398670414,0.10282023164964704,0.042389143992872316,0.021186005071619492,0.08059762867521075
EOS-3-04039,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)cn1,HJSYEUUSSCUOMQ-UHFFFAOYSA-N,3,1,0.308,82,974,436.439,1.992,6,0.438,0.75,0.961,0.08698855458844493,0.03933931875813858,0.040932766774038794,0.0582807895277911,0.05638535741210335
EOS-3-04040,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cn1,PEJNAOYBAGZDLA-UHFFFAOYSA-N,3,1,0.323,82,336,453.441,2.737,6,0.431,0.75,1.0,0.23063874991433075,0.2209666917963128,0.18069357823315743,0.27144301281611954,0.22593550818998015
EOS-3-04041,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)c(C)n5)cc4)n23)cc1,MPEWEMWOWWBJRD-UHFFFAOYSA-N,3,1,0.354,62,124,423.48,3.527,5,0.478,0.79,1.0,0.2139932149955452,0.10282879857446371,0.39114865327941883,0.24181858680008225,0.2374473134123775
EOS-3-04042,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,XKPUKQWJHXGZHJ-UHFFFAOYSA-N,3,1,0.308,52,582,450.506,3.629,6,0.424,0.86,1.0,0.1506750736755534,0.02743986018778699,0.1523027893907203,0.1598588170790213,0.1225691350832705
EOS-3-04043,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cccnc5)s4)n23)cc1,GWVUDPCXJFFTMR-UHFFFAOYSA-N,3,1,0.327,52,582,439.504,3.869,6,0.446,0.83,1.0,0.06089370159687479,0.046818244123089575,0.1169899252964156,0.1676375848125557,0.09808486395723391
EOS-3-04044,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cc4F)n23)cc1,MMBBWCKMHDHVSJ-UHFFFAOYSA-N,3,1,0.31,98,890,454.433,1.978,6,0.392,0.79,1.0,0.18927763689945856,0.27208553217736964,0.07905558220821055,0.1151823041600987,0.16390026386128434
EOS-3-04045,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cc5Cl)cn4)n23)cc1,XVJPBALIMYMRHK-UHFFFAOYSA-N,3,1,0.409,96,139,445.845,3.807,5,0.45,0.78,1.0,0.2631159618943184,0.28228873963402096,0.6877355904324584,0.6942550202179426,0.4818488280446851
EOS-3-04046,Cc1nnc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)o1,QRQCHALRPMWFCP-UHFFFAOYSA-N,3,1,0.385,52,916,470.468,3.167,6,0.401,0.87,1.0,0.257530326913851,0.1588222191762045,0.09540127475841272,0.12441744911246659,0.15904281749023372
EOS-3-04047,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)c(F)c1,POPWDRRUTBXSQA-UHFFFAOYSA-N,3,1,0.374,22,844,433.382,2.026,5,0.459,0.72,0.979,0.2306473168391474,0.287548831471455,0.32383832499485987,0.32644267013912687,0.29211928586114727
EOS-3-04048,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccccc4OC)n23)nc1,FZLQVUDDONOJSP-UHFFFAOYSA-N,3,1,0.333,33,776,438.451,2.679,5,0.445,0.75,0.962,0.32884140908779386,0.09943629634706326,0.15511274073058734,0.08961860050716194,0.1682522616681516
EOS-3-04049,CNC(=O)c1ccc(-c2nnc3cncc(-n4cc(-c5ccc(F)c(F)c5)nn4)n23)cc1F,QBEBNKVBYQCNDX-UHFFFAOYSA-N,3,1,0.533,45,648,450.384,2.816,5,0.452,0.76,1.0,0.05552223973682407,0.26174525392365156,0.7113117675279281,0.7080991707216777,0.43416960797752036
EOS-3-04050,Clc1cnc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)cn1,ACPVDGGQHCHINH-UHFFFAOYSA-N,3,1,0.625,90,708,417.654,3.576,4,0.505,0.84,1.0,0.7893050510588719,0.9006922075251867,0.6015694606264136,0.6710215201151395,0.7406470598314029
EOS-3-04051,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)cc1,NLDWZCJZHKCTFJ-UHFFFAOYSA-N,3,1,0.326,61,269,456.485,3.544,5,0.434,0.81,1.0,0.2498372284284833,0.18340072647522446,0.19759612089644302,0.16511034199163868,0.19898610444794734
EOS-3-04052,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccnc5)n4)n23)c(F)c1,ZRHXHYITDAKZQW-UHFFFAOYSA-N,3,1,0.381,96,139,425.427,3.414,5,0.474,0.78,1.0,0.20869028853402782,0.2515677472414502,0.5360324857789048,0.472714344458913,0.367251216503324
EOS-3-04053,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc1,SRHPJMJGDJPARU-UHFFFAOYSA-N,3,1,0.321,42,213,433.439,2.501,6,0.412,0.79,1.0,0.08046912480296073,0.09320814200534576,0.1005157288739634,0.14925296415598657,0.1058614899595641
EOS-3-04054,CN1CC2CC1CN2C(=O)c1ccc(-c2cncc3nnc(-c4cc(F)cnc4F)n23)cc1,FSKDRZSCMLZZSF-UHFFFAOYSA-N,3,1,0.345,0,21,447.449,2.66,6,0.45,0.78,1.0,0.11754677540949901,0.10939106298403126,0.19058837639640874,0.4000068535398533,0.20438326708244808
EOS-3-04055,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)cn4)n23)cc1,FMZPFJPBYCWZPU-UHFFFAOYSA-N,3,1,0.478,89,408,439.439,1.977,5,0.421,0.77,1.0,0.5215115482146528,0.2415358782811322,0.11699849222123226,0.05256665067507368,0.23315314234802276
EOS-3-04056,Cc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3ccc(C(C)(C)O)nc3)n12,NWRNCICTKVSGCA-UHFFFAOYSA-N,3,1,0.329,61,917,427.472,2.58,5,0.465,0.8,1.0,0.15332225344390377,0.11861764101158248,0.29831745596600645,0.14926153108080323,0.17987972037557398
EOS-3-04057,Cc1cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)ccn1,YGVAZWOWFUDZQG-UHFFFAOYSA-N,3,1,0.324,52,582,447.502,4.116,6,0.435,0.85,1.0,0.1254540470152834,0.02744842711260366,0.3537625933794805,0.36846343636488244,0.2187821259680625
EOS-3-04058,OCc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1Cl,BVASMZBIEMRBNQ-UHFFFAOYSA-N,3,1,0.789,23,86,433.27,4.351,4,0.49,0.84,1.0,0.9840226852169145,0.9879292029333151,0.9718576519772463,0.9782999794393804,0.9805273798917141
EOS-3-04059,COCc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5(F)CCC5)cc4)n23)nc1,JROPBOWEXJYRGI-UHFFFAOYSA-N,3,1,0.329,63,437,433.447,2.974,5,0.466,0.76,0.999,0.1862877801384415,0.14332465218285245,0.07906414913302721,0.13289013775615105,0.13539167980261807
EOS-3-04060,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnc(C)o5)c4)n23)cc1F,RUXXQYFBGWNLLC-UHFFFAOYSA-N,3,1,0.484,89,788,460.429,2.622,5,0.406,0.83,1.0,0.49131313823589884,0.3079809471592077,0.2909584675484888,0.17880028784867383,0.3172632101980673
EOS-3-04061,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)c(O)c5)n4)n23)cc1,MLWUEDSCIAHDSR-UHFFFAOYSA-N,3,1,0.346,29,704,442.414,2.515,5,0.434,0.79,1.0,0.45482660544171066,0.4631707902131451,0.3647967925433486,0.280352614625454,0.3907867007059146
EOS-3-04062,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(C)nn5)cc4F)n23)cc1,CBPIDHPONYOCPK-UHFFFAOYSA-N,3,1,0.396,61,124,440.442,3.117,5,0.457,0.73,1.0,0.2361644164210815,0.2564594613117675,0.4020372147214036,0.3172246590363923,0.30297143787266123
EOS-3-04063,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1)N1CCOCC1,LTJUSIDCAZIVKV-UHFFFAOYSA-N,3,1,0.387,52,821,464.489,2.783,6,0.399,0.85,1.0,0.024852648893153313,0.0009337948050167911,0.008738263313001165,0.026171955314920156,0.015174165581522856
EOS-3-04064,Cn1ncc(Cc2ccccc2)c1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,AJTMKOKWTWDCFN-UHFFFAOYSA-N,3,1,0.307,52,776,450.506,3.07,6,0.427,0.81,1.0,0.04463367829483929,0.046826811047906244,0.06416626687684189,0.11031629086423138,0.06648576177095471
EOS-3-04065,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cnc(Cl)c(F)c5)n4)n23)cc1,SHEDWEOLXKUSHB-UHFFFAOYSA-N,3,1,0.356,29,849,461.848,2.857,5,0.405,0.8,0.7,0.3288499760126105,0.32770200808717703,0.34594099102186276,0.3264512370639435,0.33223605304639847
EOS-3-04066,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)nc1,OATDBKFJPICEGH-UHFFFAOYSA-N,3,1,0.33,62,302,447.502,4.116,6,0.435,0.84,1.0,0.16671235693235556,0.058195120279624424,0.24354910561304913,0.26582311013638543,0.18356992324035365
EOS-3-04067,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)cc1,UWVJJBZAPYLCMF-UHFFFAOYSA-N,3,1,0.44,89,398,465.477,2.51,6,0.385,0.85,1.0,0.37551401548900004,0.14701699677883626,0.08865910492769516,0.08962716743197861,0.1752043211568775
EOS-3-04068,CCCc1nc(C)c(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1C,HIUUSYUOGYVJML-UHFFFAOYSA-N,3,1,0.32,63,878,430.516,2.664,5,0.484,0.75,0.995,0.0357412103351381,0.01566890548968542,0.002518675896100336,0.0014478102940168598,0.01384415050373518
EOS-3-04069,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnc(F)c5)c4)n23)cc1,LLIHNYGZKHZZIK-UHFFFAOYSA-N,3,1,0.346,74,246,440.442,3.07,6,0.422,0.78,1.0,0.03870536632170516,0.12198444246453292,0.3054879720375574,0.35516756904941404,0.20533633746830238
EOS-3-04070,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)cn2)cn1,YERNVFQIEWLYJS-UHFFFAOYSA-N,3,1,0.337,94,515,449.453,3.85,6,0.403,0.86,1.0,0.14466109245425263,0.2564680282365842,0.5626242204098417,0.5793811253512439,0.3857836166129806
EOS-3-04071,N#Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nc5)n34)cn2)c1,GAVSLDCRAGRBBQ-UHFFFAOYSA-N,3,1,0.296,82,514,459.473,3.074,6,0.424,0.8,0.905,0.12843533685148378,0.10939962990884793,0.22917380577068056,0.2892793502844219,0.18907203070385853
EOS-3-04072,CCOc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(CC)cn3)n12,AHJPQMTYWLIWEZ-UHFFFAOYSA-N,3,1,0.363,63,5,443.511,3.025,5,0.446,0.76,0.957,0.13385820026043452,0.09321670893016243,0.039476389555205264,0.029067575902953877,0.07390471866218902
EOS-3-04073,Cc1nccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)n1,FJDZEWGFXDYQSA-UHFFFAOYSA-N,3,1,0.522,89,731,438.451,2.63,5,0.428,0.76,1.0,0.4687564251936125,0.1834092934000411,0.2799328353094373,0.14423274621341922,0.2690828250291275
EOS-3-04074,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)nc1,DVUWKYQCMDWWQM-UHFFFAOYSA-N,3,1,0.277,33,432,457.885,2.98,6,0.403,0.84,0.751,0.03444760468782126,0.11537077650606538,0.09809128915084642,0.18971455006510862,0.10940605510246042
EOS-3-04075,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(F)c4)n23)cc1,ZTMIQMXVWAEGNU-UHFFFAOYSA-N,3,1,0.551,0,646,419.435,3.747,5,0.517,0.82,1.0,0.40644061407717086,0.3854516482763347,0.5662051949832089,0.6535963950380371,0.502923463093688
EOS-3-04076,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)nc1,ZJUUVJBFEBJONI-UHFFFAOYSA-N,3,1,0.327,70,219,450.441,3.245,6,0.402,0.82,1.0,0.17205811801795629,0.2669196765129189,0.2983260228908231,0.40296244260160374,0.2850665650058255
EOS-3-04077,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nn5)nc4)n23)cc1,OKJDHVXHNYMNTP-UHFFFAOYSA-N,3,1,0.396,14,740,426.415,2.472,5,0.458,0.72,1.0,0.21685456788431226,0.14702556370365294,0.37635357412103354,0.3111250085669248,0.2628396785689809
EOS-3-04078,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4F)n23)cn1,JSBRRDRYWQBAAH-UHFFFAOYSA-N,3,1,0.442,90,555,441.373,2.47,5,0.458,0.75,1.0,0.5771194571996436,0.427583784524707,0.38763621410458504,0.43184154615859094,0.45604525049688166
EOS-3-04079,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ncc(Cl)cn5)n4)n23)cc1F,PINGXGUCTZSOGJ-UHFFFAOYSA-N,3,1,0.347,50,155,447.821,2.597,5,0.443,0.72,0.988,0.2711260365979028,0.3079895140840244,0.32030018504557606,0.3782125968062504,0.3194070831334384
EOS-3-04080,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,RECQAYHUBSGZLQ-UHFFFAOYSA-N,3,1,0.483,62,637,451.49,3.876,6,0.421,0.86,1.0,0.3892724967445686,0.15506133918168735,0.29096703447330546,0.277465560962237,0.2781916078404496
EOS-3-04081,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)cc1,PDPYPUNWQKYTKG-UHFFFAOYSA-N,3,1,0.444,52,229,467.493,2.121,6,0.395,0.82,1.0,0.01595161400863546,0.000942361729833459,0.0037780138441505036,0.007813035432801041,0.007121256253855116
EOS-3-04082,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,RJDFHZDNEWCHHX-UHFFFAOYSA-N,3,1,0.362,93,791,431.463,3.711,6,0.419,0.86,1.0,0.16411657871290522,0.13235898841751764,0.2909756013981221,0.387533411006785,0.2437461448838325
EOS-3-04083,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cnc(C)cn5)n4)n23)cn1,KSXYYEZCENARIB-UHFFFAOYSA-N,3,1,0.357,82,155,441.43,2.512,5,0.451,0.72,0.894,0.23337159893084777,0.22621821670893016,0.15512130765540402,0.11032485778904805,0.1812589952710575
EOS-3-04084,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnc(C)nn5)c4)n23)cn1,MOKFXTRWMBBCIR-UHFFFAOYSA-N,3,1,0.311,82,974,424.428,1.768,5,0.457,0.76,1.0,0.15872798300322116,0.046835377972722914,0.05823795490370776,0.029941402234253994,0.07343567952847646
EOS-3-04085,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c(F)c2)nn1,FRUUZWABRXZJEV-UHFFFAOYSA-N,3,1,0.367,61,648,432.394,2.631,5,0.467,0.74,1.0,0.22520731958056336,0.1920447536152423,0.6167157837022822,0.594724487697896,0.40717308614899594
EOS-3-04086,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnnc(Cl)n5)n4)n23)cc1,ZCIXAOHTVJXPHX-UHFFFAOYSA-N,3,1,0.361,74,423,443.858,2.718,5,0.449,0.73,1.0,0.2548917140703173,0.21573230073332877,0.214901309026112,0.192515934480159,0.21951031457747927
EOS-3-04087,Cn1cc(-c2cncc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)cn1,VFTJQNAUDNZDLF-UHFFFAOYSA-N,3,1,0.314,33,647,451.494,2.465,6,0.422,0.75,1.0,0.024861215817969982,0.02521245973545336,0.09099787540264546,0.10163799602494689,0.06067738674525393
EOS-3-04088,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)n4C)n23)cc1F,LZGRXPGUOMFJDK-UHFFFAOYSA-N,3,1,0.407,61,311,462.876,3.406,5,0.439,0.81,1.0,0.19752758549790966,0.3277105750119937,0.34209444177917897,0.43510554451374134,0.3256095367007059
EOS-3-04089,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncccc4-c4ccccc4)n23)cc1,FQRDNOZIQSSIDU-UHFFFAOYSA-N,3,1,0.523,79,347,436.475,3.792,5,0.435,0.83,1.0,0.5421749708724556,0.2617538208484682,0.48098142690699747,0.36847200328969915,0.4133455554794051
EOS-3-04090,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cc(F)ccc5F)nc4)n23)cc1,DPSOOWILKGPPJD-UHFFFAOYSA-N,3,1,0.408,62,3,444.401,4.023,5,0.439,0.85,1.0,0.45260777191419366,0.4989377013227332,0.847817147556713,0.782802755123021,0.6455413439791653
EOS-3-04091,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)cc1,DWFZRCSTVDSCHZ-UHFFFAOYSA-N,3,1,0.412,52,229,466.505,2.726,6,0.401,0.87,1.0,0.01192515934480159,0.000676787060516757,0.012798985676101706,0.03304262901788774,0.014610890274826947
EOS-3-04092,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5)ncn4)n23)cc1F,RXYDHWFOJHIQLA-UHFFFAOYSA-N,3,1,0.306,74,802,452.453,3.342,6,0.435,0.79,1.0,0.17477383318483997,0.1966194914673429,0.2909841683229388,0.37168460009594956,0.2585155232677678
EOS-3-04093,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)nc4)n23)cc1,MKJSKXKSTNQKFU-UHFFFAOYSA-N,3,1,0.321,52,582,450.462,3.328,6,0.418,0.87,1.0,0.24176718525118224,0.1060242615310808,0.15231135631553697,0.13061990267973408,0.15768067644438352
EOS-3-04094,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(C(F)F)c4)n23)cc1,MIMOSBMEARQGJK-UHFFFAOYSA-N,3,1,0.43,0,646,453.88,4.865,5,0.452,0.88,1.0,0.41759475018847236,0.48477657460078133,0.8478257144815297,0.8766534164896169,0.6567126139401
EOS-3-04095,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccc(F)cn4)n23)cn1,JZFJVUSAJWFTLM-UHFFFAOYSA-N,3,1,0.337,82,974,453.441,2.737,6,0.431,0.76,0.925,0.22521588650538002,0.24652182852443286,0.0622472757179083,0.1264906449181002,0.16511890891645536
EOS-3-04096,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C5CC5)ncc4Cl)n23)nc1,HCGZMZLIHQTTNG-UHFFFAOYSA-N,3,1,0.385,63,457,435.875,3.051,5,0.496,0.72,1.0,0.5012850387225002,0.38546021520115137,0.16160646974162154,0.19252450140497568,0.3102190562675622
EOS-3-04097,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,NZZVYWKSVUBYRD-UHFFFAOYSA-N,3,1,0.38,52,310,451.49,3.876,6,0.421,0.88,1.0,0.4407083133438421,0.2015112055376602,0.2909927352477555,0.25951785347131795,0.2981825269001439
EOS-3-04098,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cnccn5)c(F)c4)n23)cc1,LKTYSGZJHDJNMP-UHFFFAOYSA-N,3,1,0.396,52,916,466.48,3.265,6,0.409,0.82,0.999,0.1506836406003701,0.17052463847577273,0.2291823726954972,0.28036118155027073,0.2076879583304777
EOS-3-04099,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(C)nc5)n4)n23)cc1,SOBAWEHGWIJUBG-UHFFFAOYSA-N,3,1,0.474,89,731,452.478,2.89,5,0.418,0.79,1.0,0.4837913782468645,0.2109091220615448,0.2614968131039682,0.11982557741073264,0.26900572270577755
EOS-3-04100,O=C(NC1CCC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cncnn5)cn4)n23)cn1,RJLUFWVADDQYNI-UHFFFAOYSA-N,3,1,0.292,50,974,439.443,1.506,6,0.431,0.75,0.947,0.04909704612432321,0.03022411075320403,0.007924405455417723,0.015506133918168734,0.025687924062778422
EOS-3-04101,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cnc(C(F)(F)F)nc5)no4)n23)cc1,WMWBWEVDZJTUBV-UHFFFAOYSA-N,3,1,0.357,74,333,467.371,2.677,5,0.423,0.83,1.0,0.4131056815845384,0.29799191282297305,0.4457884997601261,0.24755842642724968,0.3511111301487218
EOS-3-04102,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)nc5C)cc4F)n23)cc1,PFDPVDXFNGWOKL-UHFFFAOYSA-N,3,1,0.364,62,124,441.47,3.666,5,0.46,0.76,0.999,0.19753615242272635,0.20151977246247688,0.5949129600438626,0.4506545130559934,0.36115584949626484
EOS-3-04103,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5C)cn4)n23)cn1,RVXBGNXMIIHKQS-UHFFFAOYSA-N,3,1,0.354,96,204,439.454,3.722,5,0.458,0.8,1.0,0.2471472140360496,0.30292646151737374,0.5293331505722706,0.4632564594613118,0.38566582139675143
EOS-3-04104,CCn1cc(-c2nccn2Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,LAMHYJCBAHNPIC-UHFFFAOYSA-N,3,1,0.339,63,306,471.5,2.951,6,0.391,0.91,1.0,0.17478240010965665,0.19662805839215955,0.07040298814337605,0.10164656294976356,0.13586500239873894
EOS-3-04105,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5)n4)n23)cc1,JBHXODYMWZMDSA-UHFFFAOYSA-N,3,1,0.362,67,973,439.418,2.369,6,0.411,0.78,1.0,0.04464224521965595,0.22622678363374682,0.14018915769995202,0.2157237338085121,0.15669548009046672
EOS-3-04106,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)nc1,QQPQJGTTWUTQGC-UHFFFAOYSA-N,3,1,0.427,89,348,442.504,3.853,5,0.429,0.82,1.0,0.4837999451716812,0.1966366253169762,0.4422503598108423,0.3329706668494277,0.36391439928723185
EOS-3-04107,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cnn(C)c5)n4C)n23)nc1,DOXNRKNEBVDXJE-UHFFFAOYSA-N,3,1,0.317,33,432,456.47,1.537,5,0.409,0.81,1.0,0.02943595367007059,0.010957096840518127,0.06225584264272497,0.012362072510451648,0.028752741415941335
EOS-3-04108,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnn(C)n5)nc4)n23)cc1,NMOUEVZECIWMHE-UHFFFAOYSA-N,3,1,0.547,89,512,442.443,1.315,5,0.412,0.82,1.0,0.43145603454184084,0.1398721814817353,0.06226440956754164,0.023559043245836474,0.16428791720923858
EOS-3-04109,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nnnn5C)c4)n23)cc1,VTZVBAFQCRAGTA-UHFFFAOYSA-N,3,1,0.489,89,512,442.443,1.315,5,0.412,0.81,1.0,0.39793365773421974,0.15100918374340347,0.06021691453635803,0.028159481872387086,0.15932980947159206
EOS-3-04110,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5C#N)cc4)n23)cc1F,TYUPQLHXROSFFD-UHFFFAOYSA-N,3,1,0.341,62,3,449.449,3.891,5,0.446,0.81,1.0,0.2873603591254883,0.3029350284421904,0.7882341854567885,0.7268350352957302,0.5263411520800494
EOS-3-04111,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)nc4)n23)cn1,FWICBAOYOAQFTC-UHFFFAOYSA-N,3,1,0.337,63,169,476.447,2.232,6,0.469,0.82,0.997,0.2711346035227195,0.23119560002741416,0.023798917140703174,0.07142245219655953,0.1493878932218491
EOS-3-04112,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccc(F)cn4)n23)cn1,ZXSWXSTWPKRTMT-UHFFFAOYSA-N,3,1,0.437,24,786,456.441,2.721,5,0.414,0.81,1.0,0.6972191762045097,0.4762353505585635,0.27229113837296964,0.19494037420327598,0.4101715098348297
EOS-3-04113,Cn1cc(-c2nncnc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,ZYRCSSHQEJEFNG-UHFFFAOYSA-N,3,1,0.317,74,295,438.455,1.936,6,0.441,0.75,1.0,0.07216777465560963,0.011830923171818244,0.03537283256802138,0.052575217599890346,0.0429866869988349
EOS-3-04114,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)ns4)n23)cc1,GOUAGLJAHQZQEH-UHFFFAOYSA-N,3,1,0.378,62,302,457.494,4.008,6,0.428,0.85,1.0,0.09687478582687958,0.18776985813172503,0.15231992324035365,0.2714515797409362,0.1771040367349736
EOS-3-04115,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4F)n23)cc1,OCTFFVDCGWKKHC-UHFFFAOYSA-N,3,1,0.436,0,646,456.308,4.72,5,0.441,0.87,1.0,0.38699369474333495,0.4542526214789939,0.779864299910904,0.8766619834144336,0.6244431498869166
EOS-3-04116,Cc1ccnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)c1,ZPEQORLFSOFBFB-UHFFFAOYSA-N,3,1,0.391,62,319,421.464,3.246,5,0.466,0.8,0.999,0.15873654992803782,0.04304879720375574,0.4020457816462203,0.2892879172092386,0.2232797614968131
EOS-3-04117,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5C)n4)n23)cc1,CYUOWCZUNGQDMN-UHFFFAOYSA-N,3,1,0.364,61,681,428.431,2.846,5,0.472,0.77,1.0,0.0869971215132616,0.16653245151120555,0.32746213419231035,0.26864162840106914,0.21240833390446168
EOS-3-04118,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(CNc5ccc(F)c(F)c5)n34)c2)cn1,KWVYTLQQJIWMFM-UHFFFAOYSA-N,3,1,0.333,45,471,435.413,4.221,5,0.448,0.84,1.0,0.18353779727229114,0.25647659516140087,0.9187255842642725,0.9000753889383867,0.5647038414090878
EOS-3-04119,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(C(F)(F)F)c4)n23)cc1,FRRKNDBSDFXJNH-UHFFFAOYSA-N,3,1,0.523,66,12,462.819,3.797,4,0.453,0.81,1.0,0.9113751627715715,0.7582842162977178,0.9643701596874786,0.8866253169762183,0.8801637139332465
EOS-3-04120,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5cc(F)ccn5)nn4)n23)cc1,IGQVOSDRFQGXKA-UHFFFAOYSA-N,3,1,0.545,89,731,445.418,1.845,5,0.42,0.78,1.0,0.1614008635460215,0.21574086765814543,0.1941436501953259,0.13733637173600163,0.17715543828387362
EOS-3-04121,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)nc(C)n4)n23)cc1,JKEIYZOXMQJOTO-UHFFFAOYSA-N,3,1,0.337,74,333,423.44,2.373,5,0.467,0.79,1.0,0.15069220752518675,0.02745699403742033,0.19059694332122543,0.10386539647728052,0.11815288534027826
EOS-3-04122,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)cc1F,YGQUNDRRRIEURG-UHFFFAOYSA-N,3,1,0.392,0,901,416.391,3.263,5,0.512,0.87,1.0,0.37784421903913373,0.3615584949626482,0.6135374545952985,0.7241450209032966,0.5192712973750943
EOS-3-04123,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccnc(F)c5)cn4)n23)cc1,UUIILLVAXNVGCK-UHFFFAOYSA-N,3,1,0.421,14,357,425.427,3.077,5,0.433,0.8,1.0,0.2845247070111713,0.1834178603248578,0.591811733260229,0.5138784182030018,0.39340817969981495
EOS-3-04124,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)nn1,UAHFBOKPRLHDJF-UHFFFAOYSA-N,3,1,0.363,52,916,463.505,2.83,6,0.408,0.79,1.0,0.10682955246384758,0.03637516277157152,0.05087039956137345,0.06130491398807484,0.06384500719621686
EOS-3-04125,Cc1cc(C(F)(F)F)ncc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,WZNFVYUVEYOKOK-UHFFFAOYSA-N,3,1,0.374,66,685,470.43,4.136,5,0.444,0.86,1.0,0.30585634980467413,0.4187341511890892,0.857386402576931,0.792115002398739,0.5935229764923583
EOS-3-04126,Cc1nnc(-c2cc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)o1,DTINEKFMSZCXLD-UHFFFAOYSA-N,3,1,0.538,89,398,446.402,2.362,5,0.415,0.77,1.0,0.5857977520389281,0.277234253992187,0.2507453224590501,0.16245459529847167,0.31905798094715926
EOS-3-04127,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncs5)n4)n23)cc1,CHPKSSNZVVIYKF-UHFFFAOYSA-N,3,1,0.511,89,731,443.492,3.248,5,0.429,0.8,1.0,0.4548351723665273,0.29302309642930574,0.2615053800287849,0.1442413131382359,0.2884012404907135
EOS-3-04128,NC(=O)c1ccc(-c2nnc3cncc(OCc4c(Cl)ccc(Cl)c4Cl)n23)nc1,MNENLJVAHPZXEX-UHFFFAOYSA-N,3,1,0.442,90,244,449.685,3.824,4,0.464,0.79,1.0,0.5798351723665273,0.4716349119320129,0.7820659995887876,0.8402696867932287,0.6684514426701391
EOS-3-04129,Cc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)cn1,YVDKHPHZVIMZHV-UHFFFAOYSA-N,3,1,0.511,89,731,438.451,2.63,5,0.428,0.77,1.0,0.44071688026865874,0.155069906106504,0.29457370982112263,0.159867384003838,0.2625569700500308
EOS-3-04130,COCc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)n(C(C)C)n1,MKKCLZRVDGEQNX-UHFFFAOYSA-N,3,1,0.298,63,66,433.476,2.064,5,0.469,0.8,0.997,0.07610856007127681,0.0732643410321431,0.0025272428209170035,0.000719621684600096,0.03815494140223426
EOS-3-04131,Cc1noc(-c2cccc(CCc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)n1,ADNKVDFJVKNZFH-UHFFFAOYSA-N,3,1,0.402,14,886,426.44,2.429,5,0.437,0.8,1.0,0.1560037009115208,0.08698855458844493,0.05087896648619012,0.02994996915907066,0.08095529778630663
EOS-3-04132,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5OC)cn4)n23)cn1,MHQBOBURNFZKQY-UHFFFAOYSA-N,3,1,0.316,82,204,426.44,2.407,5,0.459,0.8,0.763,0.3032948392844904,0.13988074840655199,0.19415221712014255,0.09959906791857995,0.18423171818244122
EOS-3-04133,COCc1nc(CF)nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,PVQQHLPCOHEJNQ-UHFFFAOYSA-N,3,1,0.269,63,108,435.423,1.546,5,0.459,0.75,0.699,0.14466965937906928,0.08373312315811117,0.0037865807689671715,0.003366801452950449,0.05888904118977452
EOS-3-04134,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)c5)ns4)n23)cc1,ZWTWEACIASPZFC-UHFFFAOYSA-N,3,1,0.4,62,837,447.911,3.99,5,0.447,0.84,1.0,0.10683811938866425,0.23120416695223084,0.2837365499280378,0.3296981015694606,0.2378692344595984
EOS-3-04135,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccccn5)ccc4F)n23)cc1,YQIXHOYAEACSOA-UHFFFAOYSA-N,3,1,0.544,1,709,440.438,3.67,5,0.432,0.81,1.0,0.8484682338427798,0.3854687821259681,0.739762524844082,0.647899390034953,0.6553997327119457
EOS-3-04136,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(C)nn5)ncn4)n23)cc1,JQWIOLUVMVZZQD-UHFFFAOYSA-N,3,1,0.337,74,333,424.428,1.768,5,0.457,0.77,1.0,0.1092454252621479,0.02522102666027003,0.06629086423137551,0.033051195942704406,0.05845212802412446
EOS-3-04137,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)c5)n34)nc2)c1,PDBNAMGGARBVBV-UHFFFAOYSA-N,3,1,0.333,30,737,435.426,3.84,6,0.448,0.8,1.0,0.15333082036872045,0.29800047974778976,0.6047649235830307,0.6829552463847577,0.4347628675210746
EOS-3-04138,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)nc1,CQNCXTBUCHQHQA-UHFFFAOYSA-N,3,1,0.326,62,582,451.465,3.947,6,0.407,0.89,1.0,0.24984579535329998,0.31311253512439174,0.42395140840243983,0.5036323761222672,0.3726355287505997
EOS-3-04139,CC1CCC(C)N1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)nn1,GZTJHXUOROOFNW-UHFFFAOYSA-N,3,1,0.29,63,686,443.471,1.755,5,0.502,0.67,0.955,0.05059625796724008,0.010965663765334796,0.010083270509218012,0.007016311424850936,0.019665375916660954
EOS-3-04140,Cc1ccc(-c2cnc(-c3nnc4cncc(CNc5ccc(Cl)cc5)n34)nc2)cn1,VJQOXLHDKXMQTR-UHFFFAOYSA-N,3,1,0.312,14,81,428.887,4.217,5,0.448,0.86,1.0,0.11183263655678158,0.05408299636762388,0.4457970666849428,0.46014666575286134,0.26796484134055243
EOS-3-04141,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)cc1,KNKMFJVXRNEAMC-UHFFFAOYSA-N,3,1,0.276,64,495,432.451,3.106,6,0.418,0.83,1.0,0.08959289973271195,0.017185251182235625,0.15512987458022068,0.1867932287026249,0.11217531354944829
EOS-3-04142,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,YFWJIHIGSCJERY-UHFFFAOYSA-N,3,1,0.341,61,697,444.43,2.5,5,0.441,0.76,1.0,0.41091254883147144,0.3615670618874649,0.40905352614625456,0.3014443835240902,0.37074438009732025
EOS-3-04143,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(Cl)c(-c5nnn(C)n5)cc4F)n23)cc1,UFOWOUNJPOYVQZ-UHFFFAOYSA-N,3,1,0.364,61,917,463.864,2.801,5,0.435,0.77,1.0,0.30842642724967445,0.337142759235145,0.3839181687341512,0.3842351449523679,0.3534306250428346
EOS-3-04144,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5nccc(C(F)F)n5)c4)n23)cc1,CZVUGNZMLRLVOW-UHFFFAOYSA-N,3,1,0.326,74,333,458.432,3.608,5,0.428,0.8,1.0,0.31633369885545887,0.17520217942567337,0.6434874237543692,0.48164108011788087,0.4041660955383456
EOS-3-04145,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cn(C)nn5)cn4)n23)cc1,PYNCKSVSXBUHRH-UHFFFAOYSA-N,3,1,0.451,89,943,442.443,1.315,5,0.412,0.82,1.0,0.3210797752038928,0.18777842505654171,0.07260468782125969,0.025383798231786717,0.15171167157837023
EOS-3-04146,O=C(O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cccc(F)c4)n23)cc1F,WZZOWKGMTPGSTE-UHFFFAOYSA-N,3,1,0.383,96,837,430.374,3.892,5,0.461,0.86,1.0,0.3058649167294908,0.16269446919333835,0.7138304434240285,0.7136676718525118,0.47401437529984236
EOS-3-04147,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)nc1,MHSQLXIEBMSKCS-UHFFFAOYSA-N,3,1,0.291,52,523,422.452,2.931,6,0.467,0.8,0.992,0.017742101295319033,0.025229593585086696,0.10052429579878007,0.15718593653622095,0.07517048180385169
EOS-3-04148,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccn5)cc4F)n23)cc1,KHGVZXASPILPHL-UHFFFAOYSA-N,3,1,0.364,62,3,442.429,4.158,5,0.452,0.8,1.0,0.32108834212870946,0.32771914193681034,0.8478342814063464,0.8073726954972243,0.5760036152422726
EOS-3-04149,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccn5)s4)n23)cc1,NBJDVHOPPJHEFG-UHFFFAOYSA-N,3,1,0.333,52,582,439.504,3.869,6,0.446,0.82,1.0,0.09927352477554657,0.06193886642450826,0.09100644232746213,0.13488623123843466,0.09677626619148791
EOS-3-04150,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)s4)n23)cc1,PHDDVMVTYVDKDB-UHFFFAOYSA-N,3,1,0.333,52,423,439.504,3.869,6,0.446,0.82,1.0,0.1533393872935371,0.08374169008292784,0.1401977246247687,0.19494894112809266,0.14305693578233158
EOS-3-04151,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1)N1CCC1,AKGRGELNYDGEFW-UHFFFAOYSA-N,3,1,0.368,62,376,438.516,4.428,6,0.415,0.9,1.0,0.10437084504146392,0.09644643958604619,0.043879788910972516,0.1492700980056199,0.09849179288602564
EOS-3-04152,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cc4C)n23)cn1,GNRWZECKIGSROH-UHFFFAOYSA-N,3,1,0.345,62,3,438.466,4.327,5,0.452,0.86,1.0,0.2575388938386677,0.3131211020492084,0.6685456788431224,0.6246316222328833,0.4659593242409704
EOS-3-04153,CNC(=O)c1ccc(-c2nnc3cncc(-c4sc(C)nc4-c4ccnc(F)c4)n23)cc1,OSUKFVCYSJJRLL-UHFFFAOYSA-N,3,1,0.356,62,139,445.483,3.784,5,0.423,0.84,1.0,0.12277259954766637,0.20152833938729353,0.31273559043245835,0.24756699335206633,0.22115088067987115
EOS-3-04154,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)nc2)cn1,LGHSQXJWLJHJRL-UHFFFAOYSA-N,3,1,0.33,74,802,466.48,3.65,6,0.421,0.84,1.0,0.13386676718525117,0.2060345418408608,0.26871873072441915,0.30797238023439105,0.22914810499623056
EOS-3-04155,NC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)s4)n23)cc1F,WWKXDHFLYKOVHN-UHFFFAOYSA-N,3,1,0.383,96,574,435.419,3.354,5,0.463,0.76,0.999,0.1533479542183538,0.2669282434377356,0.442258926735659,0.5138869851278185,0.3441055273798917
EOS-3-04156,COc1nc(-c2ccncc2)c(F)cc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,ONMWFDSQZMJIFT-UHFFFAOYSA-N,3,1,0.421,62,139,441.426,3.162,5,0.445,0.76,1.0,0.40862517990542113,0.3079980810088411,0.4843567952847646,0.35854293742718113,0.38988074840655196
EOS-3-04157,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccsc5)cc4)n23)cc1,IGKUOJFUJQCIMX-UHFFFAOYSA-N,3,1,0.418,62,319,425.517,4.47,5,0.451,0.88,1.0,0.24415735727503254,0.10283736549928038,0.622549859502433,0.530506819272154,0.375012850387225
EOS-3-04158,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)c4)n23)cc1,COCVDYPXZIIPEV-UHFFFAOYSA-N,3,1,0.358,62,246,439.454,3.675,6,0.451,0.77,1.0,0.05060482489205675,0.15883078610102117,0.4057124254677541,0.5000342676992666,0.2787955760400247
EOS-3-04159,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5C)cn4)n23)cc1,JQDIACMAZJILQW-UHFFFAOYSA-N,3,1,0.473,89,943,452.478,2.89,5,0.418,0.8,1.0,0.4664947570420122,0.2262353505585635,0.24713008018641627,0.117521074635049,0.2643453156055102
EOS-3-04160,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnn(C)n5)c4)n23)cc1,IOIBZNCBDYKPRF-UHFFFAOYSA-N,3,1,0.548,89,637,441.455,1.92,5,0.424,0.81,1.0,0.5243472003289699,0.1966451922417929,0.14596326502638612,0.07342711260365979,0.23509569255020216
EOS-3-04161,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cc4F)n23)cc1,KPUOXEBLEXILDR-UHFFFAOYSA-N,3,1,0.376,52,916,466.48,3.265,6,0.409,0.8,1.0,0.24985436227811664,0.18778699198135837,0.36109588102254814,0.4190425604824892,0.3044449489411281
EOS-3-04162,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)cc2)nn1,UDYQDZJMWNTQEC-UHFFFAOYSA-N,3,1,0.426,14,740,440.442,2.781,5,0.445,0.74,1.0,0.29003323966828864,0.2564851620862175,0.3648053594681653,0.3079809471592077,0.3048261770954698
EOS-3-04163,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)cn5C)cc4F)n23)cn1,RNOSSMQIRKQHEL-UHFFFAOYSA-N,3,1,0.345,82,336,442.458,3.061,5,0.459,0.73,1.0,0.32885854293742717,0.27724282091700364,0.29100130217257214,0.20964121718867795,0.2766859708039202
EOS-3-04164,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(C5CNC5)c4)n23)c(F)c1,VFWKPIAVMCKNGD-UHFFFAOYSA-N,3,1,0.34,63,792,418.436,1.83,6,0.513,0.8,1.0,0.1017922006716469,0.19665375916660954,0.06417483380165856,0.13968370913576864,0.1255761256939209
EOS-3-04165,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)nc2)o1,ZSHFTEAIVNNTAM-UHFFFAOYSA-N,3,1,0.255,25,213,435.451,3.612,6,0.413,0.84,1.0,0.04465081214447262,0.05044205332054006,0.23627578644369818,0.24464567198958262,0.14400358097457336
EOS-3-04166,CCc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(C(F)(F)F)nc3)n12,XRUAJPFKSJJKEV-UHFFFAOYSA-N,3,1,0.343,66,264,466.467,4.251,5,0.459,0.83,0.996,0.26312452881913506,0.2980090466726064,0.7424525392365157,0.6217445685696662,0.48133267082448083
EOS-3-04167,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cc1,WLDIETVYFMKMQE-UHFFFAOYSA-N,3,1,0.337,25,27,450.441,3.245,6,0.402,0.82,1.0,0.19207045438969228,0.2564937290110342,0.2291909396203139,0.3489222808580632,0.2566693509697759
EOS-3-04168,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(C(F)F)cnn5)c4)n23)cn1,DKDYBBWTALPWFQ-UHFFFAOYSA-N,3,1,0.344,50,450,448.397,2.126,5,0.433,0.75,0.984,0.007830169282434378,0.10603282845589747,0.35739496950174765,0.27146014666575286,0.18567952847645808
EOS-3-04169,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)ccc1F,IUYCTGCDKMITPG-UHFFFAOYSA-N,3,1,0.358,62,246,453.481,3.984,6,0.435,0.82,1.0,0.04910561304913988,0.1665410184360222,0.4670601740799123,0.5036409430470838,0.2965869371530395
EOS-3-04170,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cccc(F)c4F)n23)cc1,XYKZNFYOEBPTAT-UHFFFAOYSA-N,3,1,0.388,62,837,443.417,3.553,5,0.456,0.75,1.0,0.2818089918442876,0.26693681036255223,0.6521657185936536,0.6131091083544651,0.45350515728873964
EOS-3-04171,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5nccnc5C)c4)n23)nc1,IPXCRXOAOGOOLD-UHFFFAOYSA-N,3,1,0.324,33,647,437.467,2.297,5,0.444,0.7,0.999,0.10684668631348092,0.030232677678020698,0.11376019464053183,0.05983996984442465,0.07766988211911452
EOS-3-04172,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1)N1CCCC1,BHGKNCNRJANZCJ-UHFFFAOYSA-N,3,1,0.348,52,821,447.502,4.151,6,0.411,0.88,0.914,0.03718045370433829,0.010031868960318005,0.010648687547118086,0.06601672263724213,0.03096943321225413
EOS-3-04173,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccnn5C)cn4)n23)c(C)c1,UXXYKFYBZRHNMT-UHFFFAOYSA-N,3,1,0.37,89,310,440.467,3.047,5,0.447,0.81,1.0,0.35471352203413065,0.1470341306284696,0.29833458981563976,0.13062846960455074,0.2326776780206977
EOS-3-04174,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(C(F)(F)F)n4)n23)cn1,BOQFWFXJSHSNKV-UHFFFAOYSA-N,3,1,0.483,68,127,430.35,1.934,4,0.51,0.68,1.0,0.5771280241244603,0.5034267699266671,0.5886077033787952,0.32324720718250977,0.49810242615310807
EOS-3-04175,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(Cl)n5)n4)n23)cc1,HTHPKFYSTQIXFN-UHFFFAOYSA-N,3,1,0.365,29,849,443.858,2.718,5,0.42,0.76,0.998,0.23338016585566446,0.21091768898636146,0.16475053114933863,0.16246316222328833,0.1928778870536632
EOS-3-04176,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cccc(F)c5F)c4)n23)cn1,XWBRDSYHBMLWRA-UHFFFAOYSA-N,3,1,0.406,14,358,456.456,4.082,5,0.431,0.85,1.0,0.30587348365430744,0.33715132615996163,0.7704321156877527,0.7430265231992325,0.5391208621753135
EOS-3-04177,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)nn1,GULHYAUQNLTDTR-UHFFFAOYSA-N,3,1,0.33,62,302,447.502,4.116,6,0.435,0.83,1.0,0.14747104379411966,0.06601672263724213,0.27641182920978685,0.304802618052224,0.19867555342334314
EOS-3-04178,Cc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,KMPTUABEQJZWGR-UHFFFAOYSA-N,3,1,0.343,62,302,447.502,4.116,6,0.435,0.83,1.0,0.1391868274964019,0.054091563292440546,0.2507538893838668,0.27439003495305325,0.17960557878144062
EOS-3-04179,CCOc1cccc(CCOc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)n1,REWITBFNILFDNG-UHFFFAOYSA-N,3,1,0.539,48,576,418.457,2.566,4,0.469,0.86,1.0,0.579843739291344,0.17053320540058942,0.17769515454732368,0.05828935645260777,0.24659036392296624
EOS-3-04180,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccnn5)c4F)n23)cc1,JYXMXGCSJQYUIF-UHFFFAOYSA-N,3,1,0.389,52,916,466.48,3.265,6,0.409,0.82,0.999,0.1807535467068741,0.17521074635049003,0.21837948050167913,0.27747412788705367,0.21295447536152423
EOS-3-04181,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(F)cc4F)n23)cc1F,BZOHSQSMAANTKN-UHFFFAOYSA-N,3,1,0.343,96,648,450.38,3.89,5,0.446,0.76,1.0,0.3936844630251525,0.49413165650058255,0.8134295113426084,0.7966983071756563,0.6244859845109999
EOS-3-04182,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)o4)n23)cc1,DOQSZEAUUFHREL-UHFFFAOYSA-N,3,1,0.511,89,731,428.412,2.175,5,0.432,0.78,1.0,0.5269858131725036,0.22097525872112947,0.19060551024604208,0.08782811322047837,0.25659867384003837
EOS-3-04183,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)c1,DIXFLLGTCYTADO-UHFFFAOYSA-N,3,1,0.347,25,791,432.451,3.106,6,0.418,0.81,1.0,0.08960146665752862,0.05045062024535673,0.14298197519018574,0.20068021383044343,0.12092856898087863
EOS-3-04184,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cccnc5)nn4)n23)cc1,KMTVBMJDMUEMPM-UHFFFAOYSA-N,3,1,0.329,98,882,433.439,2.501,6,0.412,0.78,1.0,0.0702059488725927,0.030241244602837364,0.1057329860873141,0.12649921184291688,0.08316984785141526
EOS-3-04185,Cn1nc(-c2nccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)nc1C(F)F,CQLGRXZQGFWGLQ-UHFFFAOYSA-N,3,1,0.367,74,333,448.397,2.08,5,0.431,0.75,0.844,0.15601226783633748,0.13236755534233433,0.09540984168322938,0.0660252895620588,0.11245373860599
EOS-3-04186,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NCCF)c(F)c5)n34)nc2)c1,VREGTTJINAJCFD-UHFFFAOYSA-N,3,1,0.324,74,768,460.448,3.092,5,0.418,0.81,1.0,0.2252244534301967,0.17935713796175726,0.42741244602837364,0.3585515043519978,0.29763638544308135
EOS-3-04187,Cc1c(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(F)c2)cnn1C,XSIHPEZXMFOMQY-UHFFFAOYSA-N,3,1,0.406,14,319,441.47,3.329,5,0.451,0.77,1.0,0.19466623260914262,0.20153690631211021,0.5762370639435268,0.44436639024055924,0.3542016482763347
EOS-3-04188,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nn1,KOZNPUJJCHLMMO-UHFFFAOYSA-N,3,1,0.341,85,476,434.385,3.648,5,0.426,0.81,1.0,0.29004180659310536,0.3131296689740251,0.8496504694674799,0.7584298540196012,0.5528129497635529
EOS-3-04189,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccn4)n23)cc1,OVKHKLCWJAUSMC-UHFFFAOYSA-N,3,1,0.495,89,731,456.441,2.721,5,0.414,0.78,0.998,0.5575697347680076,0.36646734288259886,0.43098485367692413,0.2774826948118703,0.40812615653485024
EOS-3-04190,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ccn4)n23)cc1,GABCIZBYVSEJCV-UHFFFAOYSA-N,3,1,0.517,89,731,456.441,2.721,5,0.414,0.78,1.0,0.6254968816393668,0.35701802480981426,0.3611044479473648,0.2301761359742307,0.3934488725926941
EOS-3-04191,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)nc5)n4)n23)cc1,DKNNAGSMTAUPQI-UHFFFAOYSA-N,3,1,0.326,74,295,441.43,2.465,6,0.417,0.79,1.0,0.08256802138304434,0.15101775066822012,0.1137687615653485,0.1732489205674731,0.1301508635460215
EOS-3-04192,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnc5F)cn4)n23)cc1,XENXIKYEIUQKAD-UHFFFAOYSA-N,3,1,0.417,62,412,441.426,3.539,5,0.416,0.83,1.0,0.7723254060722363,0.4762439174833802,0.6015780275512302,0.4443749571653759,0.5736305770680556
EOS-3-04193,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cc2)s1,ZIHDTFBKVPUGTC-UHFFFAOYSA-N,3,1,0.372,14,740,428.481,2.703,5,0.456,0.75,1.0,0.11755534233431568,0.0767510794325269,0.07686244945514357,0.05687581385785758,0.08201117126996094
EOS-3-04194,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccccn5)cn4)n23)cn1,AYMUSYDXISVMQQ-UHFFFAOYSA-N,3,1,0.413,85,290,422.452,2.594,5,0.463,0.78,1.0,0.13669385237475157,0.07675964635734357,0.16161503666643823,0.1128092659858817,0.12196945034610376
EOS-3-04195,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ncccc5F)n4)n23)cc1,FIFBKGWBCQDCAO-UHFFFAOYSA-N,3,1,0.356,74,837,440.442,3.199,5,0.447,0.75,1.0,0.22222602974436295,0.20154547323692687,0.2945822767459393,0.25044548009046674,0.24219981495442397
EOS-3-04196,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(F)cn5)cn4)n23)cn1,IARGVHBOZUCVDY-UHFFFAOYSA-N,3,1,0.388,85,290,441.43,2.128,5,0.44,0.72,1.0,0.20045747378521006,0.20604310876567747,0.19061407717085874,0.1348947981632513,0.1830023644712494
EOS-3-04197,Cc1c(F)cc(C(C)(C)C)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,HBALTEUOROLMGW-UHFFFAOYSA-N,3,1,0.308,63,108,445.502,3.886,5,0.512,0.75,0.917,0.1419539442121856,0.22624391748338016,0.1459718319512028,0.08591768898636146,0.1500218456582825
EOS-3-04198,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cocn5)c4)n23)cc1,RVIYABOLSZBAKF-UHFFFAOYSA-N,3,1,0.489,89,398,453.462,3.313,6,0.398,0.85,1.0,0.3958347611541361,0.13237612226715098,0.19760468782125967,0.18419745048317457,0.22750325543143032
EOS-3-04199,CNC(=O)c1ccc(-c2nnc3cncc(OCc4csc(-c5ccccn5)n4)n23)cc1,GGULNMGVEKMNEV-UHFFFAOYSA-N,3,1,0.545,89,268,443.492,3.248,5,0.429,0.83,1.0,0.43356349804674116,0.30294359536700705,0.16162360359125488,0.08592625591117813,0.2460142382290453
EOS-3-04200,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)cc1,HXBIQYRFBRHURX-UHFFFAOYSA-N,3,1,0.359,98,882,435.455,2.444,6,0.414,0.77,1.0,0.082576588307861,0.05820368720444109,0.10306867246933041,0.0935165512987458,0.08434137482009457
EOS-3-04201,CCn1cccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)c(F)c1,QQAKOSMZBOVEGO-UHFFFAOYSA-N,3,1,0.343,82,204,441.47,3.84,5,0.448,0.84,1.0,0.3337588239325612,0.31313823589884177,0.5087553971626345,0.41588993214995545,0.39288559728599826
EOS-3-04202,O=C(NC1CC1)c1ccc(-c2nnc3cncc(NCc4ccc(Cl)nc4)n23)nc1,FZNLMVYBMWQVGJ-UHFFFAOYSA-N,3,1,0.357,63,108,420.864,2.739,5,0.461,0.88,1.0,0.02378178329106984,0.012961757247618395,0.08866767185251183,0.12650777876773353,0.06297974778973339
EOS-3-04203,Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)c5ccc(F)cc5)cn4)n23)ccc1C(N)=O,FVIQCIUUMOOZCE-UHFFFAOYSA-N,3,1,0.367,62,504,452.449,3.631,5,0.407,0.84,1.0,0.31873243780412586,0.31831265848810913,0.6225584264272497,0.547015283393873,0.4516547015283394
EOS-3-04204,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(=O)N5CCC5)cn4)n23)nc1,VTRCEUARFYREHE-UHFFFAOYSA-N,3,1,0.402,63,108,471.481,1.293,6,0.422,0.86,0.999,0.18928620382427525,0.061947433349324926,0.0004112123912000548,0.00043691316565005827,0.06302044068261256
EOS-3-04205,Cc1cc(-c2cnn(C)n2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,YUKVDEAUTXTACE-UHFFFAOYSA-N,3,1,0.257,52,523,451.494,2.849,6,0.437,0.78,0.995,0.0804776917277774,0.03638372969638819,0.07907271605784387,0.0859348228359948,0.07046724007950106
EOS-3-04206,CCOc1nc(Cl)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC)c(F)c3)n12,XPFZKZXIDHXLBP-UHFFFAOYSA-N,3,1,0.353,0,999,426.839,3.404,4,0.491,0.78,1.0,0.534661777808238,0.5034353368514838,0.5293417174970872,0.4443835240901926,0.5029555890617504
EOS-3-04207,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cn1C,LADOAAPCFVIMQM-UHFFFAOYSA-N,3,1,0.317,52,582,450.506,3.454,6,0.44,0.82,1.0,0.12546261394010005,0.07327290795695977,0.1252141731204167,0.11752964155986567,0.11036983414433554
EOS-3-04208,Cc1nc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)n(C)n1,KTLXEIJXIOFGAX-UHFFFAOYSA-N,3,1,0.436,33,760,459.445,2.107,5,0.407,0.79,1.0,0.3870022616681516,0.25157631416626686,0.1492443972311699,0.10165512987458022,0.22236952573504215
EOS-3-04209,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)cn4)n23)cc1,KRYUOFOUAYFUHJ-UHFFFAOYSA-N,3,1,0.356,52,582,451.465,3.947,6,0.435,0.85,1.0,0.2086988554588445,0.17054177232540607,0.434934206017408,0.5101089712836681,0.3310709512713317
EOS-3-04210,COc1ccc(-c2nnco2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,XRVHNFZDROMZIW-UHFFFAOYSA-N,3,1,0.268,52,523,454.45,2.804,6,0.411,0.83,0.826,0.20870742238366116,0.07676821328216024,0.09541840860804605,0.09162326091426222,0.11812932629703242
EOS-3-04211,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCCO)cc4)n23)c(F)c1,ACCFJFZNBVIMOU-UHFFFAOYSA-N,3,1,0.352,61,917,459.445,1.51,5,0.39,0.86,1.0,0.27357617709546983,0.18779555890617505,0.19761325474607636,0.17325748749228978,0.20806061956000274
EOS-3-04212,Cc1nccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,NBXVYYIUPHJRHE-UHFFFAOYSA-N,3,1,0.314,62,302,447.502,4.116,6,0.435,0.82,1.0,0.16412514563772188,0.030249811527654033,0.264983551504352,0.2862295250496882,0.18639700842985402
EOS-3-04213,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(C#N)n5)cc4F)n23)cc1,VFUXMCPTFLJANA-UHFFFAOYSA-N,3,1,0.394,62,124,450.437,3.286,5,0.446,0.77,1.0,0.287368926050305,0.3029521622918237,0.6932012884654924,0.6034027825371805,0.4717312898362004
EOS-3-04214,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cnccc5OC)nn4C)n23)cc1F,DCLGEXMXTGZKRI-UHFFFAOYSA-N,3,1,0.319,74,413,459.445,2.156,5,0.424,0.83,1.0,0.31109074086765814,0.3570265917346309,0.1308854773490508,0.082525186758961,0.22038199917757523
EOS-3-04215,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5c(C)ncn5C)nc4)n23)cc1F,GJPLQIFWPPUKPQ-UHFFFAOYSA-N,3,1,0.326,74,413,443.446,2.456,5,0.454,0.72,1.0,0.28181755876910425,0.22625248440819684,0.17097011856623948,0.11753820848468234,0.19914459255705572
EOS-3-04216,Cc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c2)cc1F,YWWTWSUMFSQRNJ-UHFFFAOYSA-N,3,1,0.34,96,648,442.429,4.206,5,0.45,0.82,1.0,0.254900280995134,0.2360530463984648,0.8891953944212185,0.867752381605099,0.5619752758549791
EOS-3-04217,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnc(C)o5)c4)n23)cc1,CJDHTUPYIPEZOJ-UHFFFAOYSA-N,3,1,0.534,89,656,442.439,2.483,5,0.421,0.79,1.0,0.44072544719347545,0.1219930093893496,0.17770372147214036,0.0773079295456103,0.2044325269001439
EOS-3-04218,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cncnc5)n4)n23)cc1,GTHOQYGSYZLQLP-UHFFFAOYSA-N,3,1,0.356,52,582,452.453,3.342,6,0.435,0.78,0.999,0.18354636419710782,0.19666232609142623,0.2722997052977863,0.33626036597902814,0.2471921903913371
EOS-3-04219,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnn5)c4)n23)cc1,VXFPQCXOOBWDDO-UHFFFAOYSA-N,3,1,0.317,62,124,422.452,3.06,5,0.463,0.79,1.0,0.15070077445000343,0.014289630594201906,0.3165478719758755,0.24757556027688302,0.18227845932424097
EOS-3-04220,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C(F)(F)F)c4)n23)nc1,PQHOSRVAMUELPD-UHFFFAOYSA-N,3,1,0.438,63,683,472.402,3.815,5,0.429,0.9,1.0,0.6576399835515043,0.4894626824754986,0.8963744774175861,0.8475515728873964,0.7227571790829963
EOS-3-04221,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)nc(C)n4)n23)cc1,CBHOKXRPFLKBSL-UHFFFAOYSA-N,3,1,0.458,89,398,453.466,2.285,5,0.411,0.79,1.0,0.5088410664108012,0.2109262559111781,0.12522274004523337,0.05391165787129052,0.22472543005962578
EOS-3-04222,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)cc1,MHVZAAAFCBRYNY-UHFFFAOYSA-N,3,1,0.326,25,581,451.429,2.64,6,0.398,0.8,1.0,0.13387533411006786,0.24653039544924954,0.15513844150503736,0.2743986018778699,0.20248569323555615
EOS-3-04223,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)nc1)N1CC(F)(F)C1,LRSNJCDEIABNHV-UHFFFAOYSA-N,3,1,0.455,66,455,461.354,3.358,5,0.435,0.8,0.988,0.3288671098622438,0.4806473168391474,0.8013244465766568,0.7635271742855184,0.5935915118908915
EOS-3-04224,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)c1,RZEIBCHZFAEOIY-UHFFFAOYSA-N,3,1,0.326,62,246,446.474,3.408,6,0.443,0.76,1.0,0.05732129394832431,0.09944486327187993,0.40572099239257076,0.460155232677678,0.2556605955726132
EOS-3-04225,O=C(NCCO)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(OC(F)F)c4)n23)cc1,PZRHGTRVPYABAD-UHFFFAOYSA-N,3,1,0.475,66,646,457.412,2.845,4,0.422,0.81,1.0,0.7694126516345693,0.7452967582756493,0.8717702693441163,0.7757436090740868,0.7905558220821054
EOS-3-04226,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC(F)F)nc4)n23)cc1,PNORKZOAIREMSK-UHFFFAOYSA-N,3,1,0.341,61,336,461.436,2.644,5,0.413,0.8,1.0,0.2631330957439518,0.20155404016174355,0.34993317798643,0.28623809197450484,0.27521460146665755
EOS-3-04227,Cn1cnnc1-c1cncc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)c1,UFRCNJYUDVVBAP-UHFFFAOYSA-N,3,1,0.376,85,784,429.419,1.811,5,0.451,0.73,1.0,0.119996915907066,0.2109348228359948,0.24713864711123296,0.2096497841134946,0.19693004249194707
EOS-3-04228,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cccnc5F)cn4)n23)nc1,LKPGLHUANRGGIG-UHFFFAOYSA-N,3,1,0.314,82,736,427.403,2.204,5,0.433,0.79,1.0,0.23617298334589815,0.1878041258309917,0.21490987595092864,0.17037900075388937,0.20231649647042696
EOS-3-04229,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cn(C)nn5)c4)n23)cc1,KENSDXNFGSRPRX-UHFFFAOYSA-N,3,1,0.517,89,637,440.467,2.525,5,0.432,0.82,1.0,0.4131142485093551,0.2015626070865602,0.30901754506202456,0.17579329723802345,0.2748719244739908
EOS-3-04230,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)nc4Cl)n23)cc1,JCADMWOJPNXRPO-UHFFFAOYSA-N,3,1,0.366,0,999,456.84,4.0,5,0.441,0.84,1.0,0.6086114728257145,0.577573504214927,0.6633455554794051,0.7136762387773284,0.6408016928243438
EOS-3-04231,CNCCNC(=O)c1cnc(COc2cncc3nnc(-c4ccc(C)nc4)n23)cc1Cl,VNWOXYKFEQWLJD-UHFFFAOYSA-N,3,1,0.448,90,636,452.906,2.071,4,0.39,0.82,1.0,0.3456668494277294,0.2822973065588376,0.13089404427386744,0.0842300047974779,0.21077205126447807
EOS-3-04232,COCC1CCCN1C(=O)c1ncc(Cc2cncc3nnc(-c4ncccn4)n23)n1C,GUIHJWDJUIEPJL-UHFFFAOYSA-N,3,1,0.287,78,5,433.476,1.157,5,0.445,0.76,0.981,0.0012336371736001645,0.00029127544376670553,0.00022274004523336303,0.0002741415941333699,0.0005054485641834008
EOS-3-04233,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)c(Cl)c1,BOGVYMAVBMERAW-UHFFFAOYSA-N,3,1,0.473,68,12,445.817,3.111,4,0.486,0.67,1.0,0.5744037420327599,0.6164073744088822,0.6796826811047906,0.55026214789939,0.6051889863614557
EOS-3-04234,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(Cl)c5)n4)n23)cc1,AYKNJJMXOJXIDU-UHFFFAOYSA-N,3,1,0.366,29,704,468.908,3.856,6,0.417,0.87,1.0,0.20046604071002672,0.24154444520594887,0.18409464738537454,0.31723322596120895,0.23583458981563976
EOS-3-04235,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cncc(F)c5)n4)n23)cn1,NFSRVAZJQFWMRA-UHFFFAOYSA-N,3,1,0.341,82,849,428.391,1.599,5,0.452,0.73,0.935,0.3110993077924748,0.2157494345829621,0.08131725035981084,0.06603385648687547,0.1685499623055308
EOS-3-04236,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)nc1,XVZIMALSSNZVLE-UHFFFAOYSA-N,3,1,0.344,33,647,423.44,1.989,5,0.455,0.74,0.86,0.10437941196628059,0.030258378452470702,0.17097868549105613,0.1016636967993969,0.10182004317730109
EOS-3-04237,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnn5)s4)n23)cc1,KKFDTXKIBJFRRO-UHFFFAOYSA-N,3,1,0.314,74,295,441.48,2.659,6,0.441,0.79,1.0,0.07611712699609348,0.020697690357069427,0.0327599204989377,0.05541943663902406,0.04624854362278116
EOS-3-04238,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cc(Cl)c(F)cc4CO)n23)nc1,RAMMUZLKFFYNCM-UHFFFAOYSA-N,3,1,0.308,22,844,436.838,2.934,5,0.461,0.76,0.994,0.3385134672058118,0.4453601535192927,0.6196199712151326,0.6592077307929546,0.5156753306832979
EOS-3-04239,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5ncc(F)cn5)cn4)n23)cc1F,YXRRRCCFWYBMDE-UHFFFAOYSA-N,3,1,0.311,74,736,471.431,2.876,6,0.415,0.82,1.0,0.21686313480912892,0.2262610513330135,0.1679202933315057,0.2595264203961346,0.2176427249674457
EOS-3-04240,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)cc5)cn4)n23)cc1,YJYRAFHMXXZZHP-UHFFFAOYSA-N,3,1,0.554,1,210,455.453,3.326,5,0.418,0.79,1.0,0.77516962511137,0.49894626824754984,0.5293502844219039,0.42229799191282297,0.5564410424234116
EOS-3-04241,COCCOc1cnc(C)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,RNEFHADMMNTZPE-UHFFFAOYSA-N,3,1,0.321,0,862,444.495,3.079,5,0.417,0.86,0.998,0.2982831882667398,0.025238160509903365,0.1679288602563224,0.12651634569255021,0.15449163868137894
EOS-3-04242,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4Cl)n23)cc1,JURWECCBVDOOIQ-UHFFFAOYSA-N,3,1,0.416,66,264,472.858,4.342,5,0.437,0.88,1.0,0.4041104105270372,0.48065588376396406,0.8478428483311631,0.8142262353505586,0.6367088444931808
EOS-3-04243,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cccnc5)cn4)n23)cn1,SPTTYLGHOWTUNI-UHFFFAOYSA-N,3,1,0.462,82,290,440.442,2.733,5,0.447,0.73,1.0,0.2306558837639641,0.24155301213076555,0.3421030087039956,0.29216640394763893,0.276619577136591
EOS-3-04244,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4nnn(C)n4)cc3Cl)n12,VDFHZDLOISWYBB-UHFFFAOYSA-N,3,1,0.378,61,917,445.874,2.71,5,0.45,0.74,1.0,0.22810294016859708,0.25158488109108357,0.25076245630868343,0.2535724076485505,0.24600567130422865
EOS-3-04245,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5OC)n4)n23)cc1F,WRJBIVWDSMFPMB-UHFFFAOYSA-N,3,1,0.37,61,124,456.441,2.818,5,0.429,0.77,0.993,0.454843739291344,0.44536872044410936,0.3421115756288123,0.2658316770612021,0.3770389281063669
EOS-3-04246,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5c(C)nn(C)c5C)c4)n23)cc1,LIRRVOZLGTVKAB-UHFFFAOYSA-N,3,1,0.384,52,357,452.522,3.154,5,0.439,0.77,1.0,0.10438797889109726,0.061956000274141595,0.18410321431019122,0.08253375368377767,0.10824523678980194
EOS-3-04247,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ccc(F)nc5)cn4)n23)cc1,OTAXSVZJGZMNTL-UHFFFAOYSA-N,3,1,0.392,14,357,426.415,2.472,5,0.428,0.77,1.0,0.22223459666917963,0.19205332054005894,0.3986275786443698,0.3297066684942773,0.28565554108697144
EOS-3-04248,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nncn5C)c4)n23)cc1,HAXGEJOQWZTKGY-UHFFFAOYSA-N,3,1,0.478,89,707,441.455,1.92,5,0.424,0.78,1.0,0.4407340141182921,0.13988931533136864,0.1370279624426016,0.06446610924542526,0.19552935028442192
EOS-3-04249,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1)N1CCOCC1,IJFDVQZIAHWEEH-UHFFFAOYSA-N,3,1,0.383,52,821,463.501,3.388,6,0.403,0.87,0.998,0.025906380645603456,0.0011051333013501474,0.01740799122746899,0.06782434377355905,0.02806096223699541
EOS-3-04250,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncn5CC)nc4)n23)cc1F,ZDMQFXUMJLFRGQ-UHFFFAOYSA-N,3,1,0.297,74,768,456.485,3.626,5,0.419,0.83,1.0,0.2471557809608663,0.22626961825783018,0.34212014255362894,0.25358097457336715,0.26728162908642317
EOS-3-04251,Cn1nccc1-c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)ccn1,RYIHZXDODOURMB-UHFFFAOYSA-N,3,1,0.386,14,740,428.431,2.416,5,0.459,0.76,1.0,0.19207902131450894,0.1793657048865739,0.3911572202042355,0.3202059488725927,0.27070197381947775
EOS-3-04252,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)ns4)n23)cc1,NMNQRTARDSBBTL-UHFFFAOYSA-N,3,1,0.341,62,124,438.476,3.23,5,0.418,0.83,1.0,0.12000548283188267,0.0932252758549791,0.18726440956754165,0.1788088547734905,0.14482600575697346
EOS-3-04253,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)n4)n23)cc1,GURHFPPMQSJURY-UHFFFAOYSA-N,3,1,0.469,89,398,465.477,2.51,6,0.385,0.86,1.0,0.3778527859639504,0.1289921869645672,0.054648413405523955,0.05829792337742444,0.1549478274278665
EOS-3-04254,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccnc5C)n(C)n4)n23)cc1,COMUIJGKMQONDQ-UHFFFAOYSA-N,3,1,0.329,74,333,425.456,2.317,5,0.47,0.76,1.0,0.09688335275169625,0.0694863271879926,0.047212322664656296,0.02283085463641971,0.059103214310191214
EOS-3-04255,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cc1Cl,GBFUJCUYXNHGOU-UHFFFAOYSA-N,3,1,0.364,96,802,459.872,4.067,5,0.435,0.83,1.0,0.33129154958536083,0.3712476869302995,0.7011428277705435,0.6997549859502433,0.5258592625591118
EOS-3-04256,Cc1cnc(-c2nc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2F)cn1,MYKCQWJEKSPYRY-UHFFFAOYSA-N,3,1,0.361,52,423,466.48,3.65,6,0.421,0.84,0.999,0.1614094304708382,0.18781269275580836,0.19416078404495923,0.2358988417517648,0.19482043725584267
EOS-3-04258,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)nc4)n23)cc1,DXYKXYIYRJEVHW-UHFFFAOYSA-N,3,1,0.347,52,582,438.516,4.474,6,0.437,0.87,1.0,0.12547118086491674,0.0660252895620588,0.29834315674045647,0.3621153450757316,0.2129887430607909
EOS-3-04259,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)nn4C)n23)cc1,YALDLNCOFGFTEQ-UHFFFAOYSA-N,3,1,0.415,25,882,434.467,3.049,6,0.42,0.79,1.0,0.0919745048317456,0.061964567198958265,0.07261325474607634,0.08963573435679528,0.07904701528339388
EOS-3-04260,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(Cl)c5)cn4)n23)cc1,XIGWOZANKJHKPT-UHFFFAOYSA-N,3,1,0.411,62,3,440.894,4.533,5,0.443,0.87,1.0,0.2057689671715441,0.2930316633541224,0.7243420601740799,0.7189791652388459,0.48553046398464805
EOS-3-04261,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)c4)n23)cc1,CLKISOBQEDKZPH-UHFFFAOYSA-N,3,1,0.533,16,656,442.414,2.46,5,0.424,0.75,1.0,0.8034404770063738,0.30800664793365773,0.4057295593173874,0.29525906380645606,0.4531089370159687
EOS-3-04262,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cn4)n23)nc1,DANCJIYAMXQZEV-UHFFFAOYSA-N,3,1,0.44,33,53,454.45,2.708,6,0.394,0.84,1.0,0.2760434514426701,0.12200157631416626,0.07908128298266054,0.08423857172229457,0.14034122061544788
EOS-3-04263,COc1cc(C)cc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2C)c1,YYLIHQMWQOEDHJ-UHFFFAOYSA-N,3,1,0.376,62,139,451.49,3.64,5,0.433,0.81,0.999,0.2603231444040847,0.10940819683366458,0.372549859502433,0.21837091357686245,0.2401630285792612
EOS-3-04264,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,CRDIQGWBOWISCA-UHFFFAOYSA-N,3,1,0.349,61,917,428.416,1.151,5,0.434,0.79,1.0,0.2683332191076691,0.10941676375848125,0.048891439928723184,0.024424302652319922,0.11276643136179837
EOS-3-04265,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(C(F)F)cc4)n23)cc1F,SJIRJJTXFXBUJJ-UHFFFAOYSA-N,3,1,0.424,0,685,451.452,4.545,5,0.448,0.87,1.0,0.38020012336371733,0.484785141525598,0.7843019669659379,0.8221078061818929,0.6178487595092865
EOS-3-04266,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)cnc5F)cc4)n23)cn1,SIDWSWGMLZYJHS-UHFFFAOYSA-N,3,1,0.356,96,204,443.417,3.553,5,0.427,0.79,1.0,0.32887567678706053,0.29801761359742307,0.6743283530943732,0.630362894935234,0.4828961346035227
EOS-3-04267,CCOc1c(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)ccc(Br)c1F,XOSWTEMWNGKYGY-UHFFFAOYSA-N,3,1,0.415,0,999,470.302,4.118,4,0.475,0.83,1.0,0.5370690836817216,0.5261119868412035,0.7218747858268796,0.5599941744911247,0.5862625077102324
EOS-3-04268,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)c1,RBFUFIADHBLUHT-UHFFFAOYSA-N,3,1,0.333,25,791,450.441,3.245,6,0.402,0.82,1.0,0.17768658762250703,0.2823058734836543,0.3165564389006922,0.42539065177164004,0.30048488794462336
EOS-3-04269,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4Cl)n23)cn1,YIASHUNYVOIVRO-UHFFFAOYSA-N,3,1,0.393,68,455,448.796,2.599,4,0.478,0.7,1.0,0.31110787471729145,0.4585189500376945,0.5626327873346584,0.38754197793160167,0.4299503975053115
EOS-3-04270,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,LVJFXEYMGOGCJE-UHFFFAOYSA-N,3,1,0.33,52,582,450.506,3.454,6,0.44,0.78,1.0,0.09198307175656227,0.030266945377287368,0.13703652936741828,0.13734493866081832,0.09915787129052156
EOS-3-04271,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(Cl)cc4)n23)cc1,PFPZYVISCWDVAU-UHFFFAOYSA-N,3,1,0.478,0,646,417.9,4.122,5,0.512,0.88,1.0,0.382427523816051,0.4000068535398533,0.3725584264272497,0.5267116715783702,0.42042611884038106
EOS-3-04272,CCOc1cc(C(F)F)cnc1-c1cncc2nnc(-c3ccc(C(=O)NC)c(Cl)c3)n12,XVJZMJKZDAXVKX-UHFFFAOYSA-N,3,1,0.339,66,999,458.856,4.203,4,0.465,0.82,0.942,0.5661109588102254,0.6351261051333014,0.805162428894524,0.7110718936330614,0.679367846617778
EOS-3-04273,CNC(=O)c1ccc(-c2nnc3cncc(Cc4nncc(-c5ccncc5)c4F)n23)cc1,TUHAKVYODASLFH-UHFFFAOYSA-N,3,1,0.42,14,357,440.442,2.733,5,0.447,0.7,1.0,0.252475841272017,0.1793742718113906,0.3876447810294017,0.3264598039887602,0.2864886745253924
EOS-3-04274,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cnccn5)nc4)n23)nn1)N1CCCCC1,DDZZLRNEGVZRPM-UHFFFAOYSA-N,3,1,0.37,50,800,465.481,2.121,6,0.387,0.85,0.982,0.012730450277568365,0.002415872798300322,0.000179905421150024,0.0005225824138167364,0.003962202727708862
EOS-3-04275,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)cc4Cl)n23)nc1,CRCXNRAZCRUWPJ-UHFFFAOYSA-N,3,1,0.39,63,999,456.84,4.0,5,0.471,0.8,0.984,0.5973716674662464,0.745305325200466,0.6796912480296073,0.7733534370502364,0.698930419436639
EOS-3-04276,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(CCl)nc4-c4ccccc4)n23)cc1,UQXYONIGBFQHKM-UHFFFAOYSA-N,3,1,0.349,62,124,443.898,3.878,5,0.416,0.86,1.0,0.10439654581591391,0.1510263175930368,0.37256699335206633,0.3522205469124803,0.24505260091837433
EOS-3-04277,NC(=O)c1ccc(-c2nnc3cncc(-c4c(Cl)ccc(-c5cncnn5)c4F)n23)cc1,KLPGBVZGUNJIHV-UHFFFAOYSA-N,3,1,0.415,96,648,446.833,3.202,5,0.449,0.73,1.0,0.24416592419984923,0.3131468028236584,0.682381262422041,0.6857223631005415,0.4813540881365225
EOS-3-04278,CCCn1c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nc(C(F)F)cc1=O,TZELQOGILIMZMK-UHFFFAOYSA-N,3,1,0.36,66,437,425.399,2.462,4,0.507,0.73,0.992,0.20871598930847782,0.1550784730313207,0.1709872524158728,0.14424988006305256,0.16975789870468094
EOS-3-04279,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccnc4)n23)cc1,HUYDVIDXLGBLSE-UHFFFAOYSA-N,3,1,0.297,25,213,433.439,2.501,6,0.412,0.81,1.0,0.11483962716743198,0.0767767802069769,0.11976560893701597,0.162471729148105,0.11846343636488246
EOS-3-04280,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ncc(C)nn5)cn4)n23)cc1,XAKSXEJYBDVDBV-UHFFFAOYSA-N,3,1,0.354,74,453,424.428,1.768,5,0.457,0.74,1.0,0.10925399218696456,0.03934788568295525,0.047220889589472965,0.02283942156123638,0.054665547255157286
EOS-3-04281,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(C(F)F)cc(=O)[nH]4)n23)cc1,MFMJQHIWEIKXTE-UHFFFAOYSA-N,3,1,0.333,63,437,423.383,2.371,5,0.509,0.82,0.765,0.28737749297512166,0.2312127338770475,0.3090261119868412,0.33626893290384485,0.2909713179357138
EOS-3-04282,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccnnc5)c4)n23)nc1,PIZZZFWFCIVDBZ-UHFFFAOYSA-N,3,1,0.417,89,348,456.441,2.721,5,0.414,0.78,1.0,0.5062795558906175,0.3029607292166404,0.5087639640874512,0.39383010074703584,0.42795858748543625
EOS-3-04283,NC(=O)c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1F,CXFJYQHFOAVTJZ-UHFFFAOYSA-N,3,1,0.297,63,108,419.38,0.773,5,0.45,0.86,0.966,0.11484819409224864,0.14704269755328628,0.010091837434034679,0.011522513878418203,0.07087631073949695
EOS-3-04284,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,CLNOHDBHPLYDDF-UHFFFAOYSA-N,3,1,0.333,98,882,435.455,2.444,6,0.414,0.77,1.0,0.06615379343430883,0.027465560962236995,0.07262182167089301,0.07731649647042697,0.06088941813446645
EOS-3-04285,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnc(C)c5)cn4)n23)cc1Cl,KWMBDJADWWBGKC-UHFFFAOYSA-N,3,1,0.343,74,768,456.897,3.632,5,0.439,0.8,1.0,0.21687170173394557,0.2465389623740662,0.48436536220958126,0.44121376190802547,0.34724744705640465
EOS-3-04286,COC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,PEUKGWFEXOWDIX-UHFFFAOYSA-N,3,1,0.333,0,862,414.425,2.532,5,0.5,0.89,1.0,0.2389058323624152,0.05821225412925776,0.10307723939414708,0.07343567952847646,0.11840775135357412
EOS-3-04287,Cc1ncccc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nc1,ZZXGUQHQWMJLCD-UHFFFAOYSA-N,3,1,0.583,89,744,437.463,3.235,5,0.433,0.8,1.0,0.45485230621616063,0.1752193132753067,0.43877218833527515,0.27440716880268656,0.33581274415735723
EOS-3-04288,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncs5)nc4)n23)cc1,BXICUHFREIUELM-UHFFFAOYSA-N,3,1,0.512,89,731,444.48,2.643,5,0.424,0.8,1.0,0.6427078335960523,0.30296929614145707,0.1523284901651703,0.07344424645329313,0.29286246658899323
EOS-3-04289,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4Cl)n23)cn1,FYCRIYIRSBFMGR-UHFFFAOYSA-N,3,1,0.451,90,555,431.79,2.452,4,0.483,0.7,1.0,0.7003118360633267,0.6253426769926667,0.5854465081214447,0.5101175382084847,0.6053046398464806
EOS-3-04290,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccncc5)s4)n23)cc1,TYNUFDMQJITERL-UHFFFAOYSA-N,3,1,0.337,52,517,439.504,3.869,6,0.446,0.8,1.0,0.03445617161263793,0.030275512302104037,0.13704509629223494,0.18159310533890755,0.09584247138647112
EOS-3-04291,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(C(=O)NCC#N)nc4)n23)c1,ZBKUCULIRLOZOU-UHFFFAOYSA-N,3,1,0.272,82,204,447.462,2.872,5,0.406,0.82,1.0,0.18076211363169076,0.030284079226920703,0.1872729764923583,0.16764615173737235,0.14149133027208555
EOS-3-04292,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(C)n(C)n5)cn4)n23)cn1,BWEHYMPLPMYABU-UHFFFAOYSA-N,3,1,0.351,85,516,439.483,2.241,5,0.446,0.77,1.0,0.05732986087314098,0.06197313412377493,0.08132581728462751,0.030866630114454115,0.057873860598999384
EOS-3-04293,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)n1,HNWWWOSSIOWLFN-UHFFFAOYSA-N,3,1,0.534,89,398,466.505,3.058,6,0.392,0.86,0.999,0.3385220341306285,0.08022925090809403,0.15514700842985402,0.13063703652936742,0.176133832499486
EOS-3-04294,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ccc(-c4ccnnc4)cc3F)n12,HMJJMFSKTHXYQZ-UHFFFAOYSA-N,3,1,0.366,14,319,439.454,3.386,5,0.449,0.73,1.0,0.26033171132890137,0.22098382564594612,0.677044068261257,0.5976201082859297,0.4389949283805086
EOS-3-04295,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccccn5)n4)n23)c(F)c1,BVFAGXZHPQWTPX-UHFFFAOYSA-N,3,1,0.381,96,140,429.39,3.292,5,0.469,0.75,0.99,0.1892947707490919,0.2720940991021863,0.607643410321431,0.5976286752107464,0.41666523884586393
EOS-3-04296,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(Cl)cc4F)n23)cc1F,HUZSDHDYXXUDGW-UHFFFAOYSA-N,3,1,0.41,0,646,453.88,4.4,5,0.469,0.79,1.0,0.4064491810019875,0.48479370845041464,0.6770526351860736,0.8181413199917758,0.5966092111575629
EOS-3-04297,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)cc1F,PUWOTOVWDUCHNB-UHFFFAOYSA-N,3,1,0.376,62,124,452.453,3.251,5,0.41,0.83,1.0,0.30063909259132343,0.27210266602700295,0.6959769721060928,0.6005157288739634,0.46730861489959563
EOS-3-04298,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C)n5)ccc4Cl)n23)c(F)c1,LQNCCDWULKPALY-UHFFFAOYSA-N,3,1,0.362,61,124,462.876,3.406,5,0.439,0.77,1.0,0.3163422657802755,0.38547734905078473,0.6106247001576314,0.5793896922760606,0.4729585018161881
EOS-3-04299,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5nccn5C)cc4F)n23)cc1F,ZJBQBUCCNSKOEY-UHFFFAOYSA-N,3,1,0.333,74,413,446.421,2.892,5,0.455,0.7,1.0,0.3138407237338085,0.2617623877732849,0.5122421355630183,0.4412223288328422,0.38226689397573843
EOS-3-04300,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cccc(-c4ncc(Cl)nn4)n3)n12,YECQCDDQWVJFNC-UHFFFAOYSA-N,3,1,0.347,74,423,443.858,2.766,5,0.447,0.71,0.788,0.13919539442121856,0.21575800150777877,0.1583767390857378,0.15987595092865464,0.16830152148584743
EOS-3-04301,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)cnc5F)cn4)n23)cc1,GBWZNYTVVWTZBH-UHFFFAOYSA-N,3,1,0.369,62,139,443.417,3.553,5,0.427,0.81,1.0,0.29557604002467275,0.24654752929888288,0.7322236310054143,0.6507864436981701,0.481283411006785
EOS-3-04302,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncnc(-c5cccnn5)n4)n23)cc1,JUSNZRXDJRXCCE-UHFFFAOYSA-N,3,1,0.418,89,398,466.465,1.904,6,0.377,0.84,1.0,0.3936930299499692,0.13600849838941814,0.020946131176752793,0.023567610170653144,0.14355381742169832
EOS-3-04303,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnc(OC)c5C)cn4)n23)cc1,XUHJCIWUHXNZBG-UHFFFAOYSA-N,3,1,0.34,74,139,452.478,2.987,5,0.432,0.77,1.0,0.31111644164210817,0.12201014323898293,0.1941693509697759,0.07732506339524364,0.17615524981152764
EOS-3-04304,Cc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)cn1,NEUQVRWCVYGHHA-UHFFFAOYSA-N,3,1,0.524,7,408,439.439,2.025,5,0.419,0.77,1.0,0.4764152559797135,0.1665495853608389,0.14925296415598657,0.07143101912137619,0.2159122061544788
EOS-3-04305,COCOc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,LFVDOUUNKAGRSH-UHFFFAOYSA-N,3,1,0.276,63,108,418.417,1.518,5,0.444,0.91,1.0,0.2222431635939963,0.054100130217257215,0.02380748406551984,0.022847988486053045,0.08074969159070661
EOS-3-04306,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncs5)c4)n23)cc1,QDWWGORGIZHRTF-UHFFFAOYSA-N,3,1,0.529,89,637,443.492,3.248,5,0.429,0.81,1.0,0.5827736275786444,0.282314440408471,0.3312744157357275,0.20678843122472756,0.35078772873689257
EOS-3-04307,Cc1ncc(-c2ccc(CNc3ccc(-c4nnc5cncc(C)n45)nc3)c(F)c2)cn1,XFUGUCVEFXPNLC-UHFFFAOYSA-N,3,1,0.311,85,81,426.459,4.011,5,0.454,0.84,1.0,0.04911417997395655,0.05045918717017339,0.5791155506819272,0.44439209101500926,0.2807702522102666
EOS-3-04308,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)n5)no4)n23)cc1,WJXMGHCQJHZRCK-UHFFFAOYSA-N,3,1,0.373,74,139,432.831,2.916,5,0.43,0.8,1.0,0.2658316770612021,0.26694537728736895,0.16163217051607154,0.16511890891645534,0.21488203344527446
EOS-3-04309,Cc1cc(-c2cc(CCc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccn2)ccn1,KWOSBPQFLNSGFN-UHFFFAOYSA-N,3,1,0.398,14,886,435.491,3.441,5,0.437,0.8,0.997,0.23891439928723185,0.061981701048591596,0.38392673565896784,0.2714687135905695,0.2390728873963402
EOS-3-04310,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncon5)nc4)n23)cc1,MDWAXUTYQAQHSY-UHFFFAOYSA-N,3,1,0.531,89,863,429.4,1.57,5,0.422,0.78,1.0,0.5945874169008293,0.24655609622369953,0.07041155506819272,0.029076142827770542,0.23515780275512302
EOS-3-04311,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cccc(-c4ncon4)n3)n12,PDCWZAZMZHNTSP-UHFFFAOYSA-N,3,1,0.33,52,423,454.45,2.804,6,0.411,0.82,1.0,0.19208758823932562,0.0802378178329107,0.06418340072647523,0.06131348091289151,0.09945557192790076
EOS-3-04312,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cocn5)c4)n23)cc1,NVTSGGUGGQTEKN-UHFFFAOYSA-N,3,1,0.511,89,656,427.424,2.78,5,0.439,0.81,1.0,0.5798523062161607,0.20605167569049415,0.3839353025837845,0.22398224933177988,0.34845538345555477
EOS-3-04313,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccn5C)n4)n23)cc1,GLOZMSRKWQOSAZ-UHFFFAOYSA-N,3,1,0.441,89,408,441.455,1.92,5,0.424,0.76,1.0,0.40863374683023784,0.19667089301624288,0.09809985607566309,0.040889932149955455,0.18607360701802483
EOS-3-04314,CCOC(=O)c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)ncn1,YGQMEGZJVUHYLG-UHFFFAOYSA-N,3,1,0.453,63,536,433.428,1.697,4,0.432,0.83,0.998,0.4740764855047632,0.18782125968062505,0.07479782057432664,0.01434959906791858,0.18776129120690835
EOS-3-04315,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncn5C)ccn4)n23)cc1,XNXXHMXAWLPGCG-UHFFFAOYSA-N,3,1,0.5,89,731,440.467,2.525,5,0.432,0.78,0.999,0.4335720649715578,0.14705126447810293,0.3238468919196765,0.16248029607292166,0.2667376293605647
EOS-3-04316,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cc1,GYWNUVZPNKGYJH-UHFFFAOYSA-N,3,1,0.316,25,213,432.451,3.106,6,0.418,0.8,1.0,0.0944503461037626,0.07328147488177644,0.2435576725378658,0.28340243986018776,0.17367298334589815
EOS-3-04317,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c1,FTCNALDATLOIPR-UHFFFAOYSA-N,3,1,0.282,25,213,432.451,3.106,6,0.418,0.8,1.0,0.03574977725995477,0.027474127887053664,0.2254386265506134,0.2803697484750874,0.1422580700431773
EOS-3-04318,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(F)c(C#N)n5)n34)cc2F)CC1,MNLIILFPORWALW-UHFFFAOYSA-N,3,1,0.406,63,9,445.433,3.209,5,0.505,0.69,1.0,0.2818261256939209,0.3131553697484751,0.34994174491124663,0.4664690562675622,0.3528480741553012
EOS-3-04319,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nc1,QUCRQYAOMZSTNJ-UHFFFAOYSA-N,3,1,0.395,61,917,423.362,3.063,5,0.44,0.83,1.0,0.3313001165101775,0.40001542046467,0.8367743814680282,0.7733620039750532,0.5853629806044822
EOS-3-04320,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cnc(C)cn5)n4)n23)c(F)c1,XOEMMIRQMNONCI-UHFFFAOYSA-N,3,1,0.371,74,155,458.432,3.257,5,0.44,0.78,0.999,0.2790076074292372,0.2772513878418203,0.47052121170584604,0.3968113905832362,0.35589789939003497
EOS-3-04321,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)cn4)n23)cc1F,YDYGPNCKHWAIDV-UHFFFAOYSA-N,3,1,0.406,14,260,444.405,2.611,5,0.442,0.71,1.0,0.29280035638407237,0.2565022959358509,0.45652285655541086,0.4318501130834076,0.3594189054896854
EOS-3-04322,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccn5)c4)n23)cn1,ZRXJCXZARNRSHE-UHFFFAOYSA-N,3,1,0.478,2,879,439.439,1.977,5,0.421,0.78,1.0,0.560242615310808,0.23122130080186415,0.12267836337468302,0.05984853676924131,0.24349770406414914
EOS-3-04323,CNC(=O)c1ccc(-c2nnc3cncc(-c4sc(C)nc4-c4ccccc4)n23)cc1F,ZAQVQWLIYWLUNU-UHFFFAOYSA-N,3,1,0.356,62,3,444.495,4.389,5,0.444,0.83,1.0,0.14747961071893634,0.2515934480159002,0.3763621410458502,0.3551761359742307,0.28265283393872936
EOS-3-04324,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)c4)n23)cc1,LSIYCADIZFAJHR-UHFFFAOYSA-N,3,1,0.402,52,916,465.492,3.87,6,0.409,0.86,1.0,0.23066445068878075,0.22627818518264683,0.5014392433692002,0.5534576108560071,0.37795987252415875
EOS-3-04325,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(C)cn5)nc4)n23)cc1,AUNWBIFTYSXMNF-UHFFFAOYSA-N,3,1,0.402,52,886,450.506,3.097,5,0.423,0.8,1.0,0.18355493112192448,0.039356452607771916,0.20109999314646015,0.10803748886299774,0.13301221643478855
EOS-3-04326,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ncccc5F)cn4)n23)cc1,AMPYIHOIVBFHHY-UHFFFAOYSA-N,3,1,0.479,89,943,456.441,2.721,5,0.414,0.77,1.0,0.7003204029881434,0.4231118497704064,0.3203087519703927,0.22399081625659653,0.41693295524638474
EOS-3-04327,Cn1cncc1-c1ncc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,LOWLBBQLPCJFRM-UHFFFAOYSA-N,3,1,0.376,52,295,465.521,2.659,6,0.393,0.85,1.0,0.18356349804674113,0.03339387293537112,0.03674354053868823,0.04469364676855596,0.07459863957233911
EOS-3-04328,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cc1,GTSPQPDULAZMCJ-UHFFFAOYSA-N,3,1,0.323,62,302,432.487,4.413,6,0.445,0.87,1.0,0.14196251113700226,0.061990267973408265,0.44934377355904326,0.5234134055239531,0.2941774895483517
EOS-3-04329,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)ncn4)n23)cc1F,HAFNSWUIIPHYFA-UHFFFAOYSA-N,3,1,0.326,74,768,444.405,2.948,5,0.424,0.77,1.0,0.260340278253718,0.2415615790555822,0.6225669933520663,0.5534661777808237,0.41948375711054753
EOS-3-04330,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnnc5)n4)n23)cc1F,WPYUBZRMIAUUQK-UHFFFAOYSA-N,3,1,0.322,29,849,428.391,1.599,5,0.452,0.73,1.0,0.26834178603248576,0.20157117401137686,0.1551555753546707,0.12855527379891715,0.18840595229936263
EOS-3-04331,COc1ccccc1-c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cnn1,WDIQGLNQLPKSBY-UHFFFAOYSA-N,3,1,0.367,14,357,438.451,2.342,5,0.427,0.78,1.0,0.2873860598999383,0.11862620793639915,0.19417791789459254,0.12442601603728326,0.1811540504420533
EOS-3-04332,CC(C)(O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,NGCRNZJVMBSAJW-UHFFFAOYSA-N,3,1,0.836,90,948,427.867,3.828,4,0.503,0.85,1.0,0.977897333972997,0.9195051744225893,0.9053440477006374,0.8032006031115071,0.9014867898019328
EOS-3-04333,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc5ccccc5nn4)n23)nc1,KOAHWYAQCHZVPB-UHFFFAOYSA-N,3,1,0.333,52,647,422.452,2.613,6,0.463,0.8,0.999,0.08048625865259407,0.0837502570077445,0.04565314234802276,0.09352511822356246,0.07585369405798095
EOS-3-04334,O=C(c1ccc(-c2cncc3nnc(-c4ccnc(C(F)F)c4)n23)cn1)N1CCCOC1,XCEKEHJKJICMEJ-UHFFFAOYSA-N,3,1,0.36,63,169,437.41,3.006,5,0.484,0.72,0.981,0.04028168048797204,0.010974230690151464,0.039484956480021934,0.11519087108491535,0.051482934685765196
EOS-3-04335,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)cc4)n23)cc1,WTPCNFSHNCZBKC-UHFFFAOYSA-N,3,1,0.417,62,916,465.492,3.87,6,0.409,0.85,1.0,0.3033034062093071,0.18342642724967445,0.33855630182989516,0.3875505448564183,0.30320917003632375
EOS-3-04336,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnc5)nn4)n23)c(F)c1,VHISYEFPQHCFGI-UHFFFAOYSA-N,3,1,0.39,13,412,442.414,2.934,5,0.441,0.74,1.0,0.6311082173942841,0.46736858337331233,0.41990781988897263,0.3111335754917415,0.4573795490370776
EOS-3-04337,O=C(NCCO)c1ccc(-c2cncc3nnc(-c4ccc(F)c(C(F)F)c4)n23)c(F)c1,HTXDLVCOVLAHRI-UHFFFAOYSA-N,3,1,0.365,0,999,445.376,3.396,4,0.444,0.78,0.963,0.5188129668974025,0.47625248440819684,0.9522308272222603,0.9244825577410732,0.7179447090672332
EOS-3-04338,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cn4)n23)cc1,UHKKPXAIVPYAIP-UHFFFAOYSA-N,3,1,0.398,14,357,456.897,3.247,5,0.432,0.74,1.0,0.21148310602426154,0.1920618874648756,0.37637070797066685,0.3232557741073264,0.27579286889178256
EOS-3-04339,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)nc5)n34)cc2)o1,OVCHPEDJEICNAE-UHFFFAOYSA-N,3,1,0.424,52,229,467.489,3.289,6,0.396,0.86,1.0,0.034464738537454596,0.00340106915221712,0.011805222397368241,0.027191419368103625,0.019215612363785897
EOS-3-04340,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(F)cn5)cc4F)n23)cc1,ZSSYZNNKTANIOZ-UHFFFAOYSA-N,3,1,0.412,14,260,458.432,2.872,5,0.431,0.72,1.0,0.32365841957370983,0.28232300733328763,0.46347063258172844,0.3909430470838188,0.36509877664313617
EOS-3-04341,Cc1cccc(-c2cncc(CCc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)n1,CHTDDUWLPQLABL-UHFFFAOYSA-N,3,1,0.354,85,290,436.479,2.836,5,0.434,0.75,0.996,0.11485676101706531,0.039365019532588585,0.14926153108080323,0.11033342471386472,0.10345418408608047
EOS-3-04342,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)n4)n23)nc1,DYNVDFJVDZSASJ-UHFFFAOYSA-N,3,1,0.404,1,347,463.501,3.72,6,0.392,0.89,1.0,0.287394626824755,0.15508703995613735,0.1492700980056199,0.18420601740799122,0.19398944554862588
EOS-3-04343,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cccnn5)cn4)n23)cc1,HKGLQCJFBJRUQL-UHFFFAOYSA-N,3,1,0.389,52,916,466.48,3.265,6,0.409,0.8,1.0,0.1946747995339593,0.16270303611815504,0.2507710232335001,0.31114214241655813,0.22982275032554314
EOS-3-04344,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncn5C)cn4)n23)c(F)c1,ZCTHJXNAPCHPMC-UHFFFAOYSA-N,3,1,0.352,50,736,429.419,2.148,5,0.465,0.72,1.0,0.2004746076348434,0.25651086286066754,0.2764203961346035,0.19775032554314304,0.23278904804331435
EOS-3-04345,Cc1cc(-c2nnc3cncc(Cc4ccnc(-c5cncnc5)c4)n23)ccc1C(N)=O,XZUYDZOTPHUKCR-UHFFFAOYSA-N,3,1,0.353,85,357,422.452,2.641,5,0.461,0.76,1.0,0.1507093413748201,0.03340243986018779,0.3312829826605442,0.2389829346857652,0.18859442464532933
EOS-3-04346,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5cnn(C)c5)nc(C)n4C)n23)cc1,JLFDUQSCHWCDBY-UHFFFAOYSA-N,3,1,0.329,74,333,427.472,2.26,5,0.471,0.77,1.0,0.09445891302857926,0.05046775409499006,0.07687101637996024,0.030875197039270785,0.06316822013570009
EOS-3-04347,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)nc4C)n23)c(F)c1,RTENBPMHMBSVCH-UHFFFAOYSA-N,3,1,0.355,74,139,456.441,3.243,5,0.428,0.83,1.0,0.43358063189637447,0.3712562538551162,0.34995031183606334,0.1977588924679597,0.33813652251387843
EOS-3-04348,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cc[nH]n5)cc4Cl)n23)cc1,RZTMLHZORIZTNK-UHFFFAOYSA-N,3,1,0.341,74,139,430.859,3.256,5,0.452,0.8,1.0,0.26314166266876843,0.27725995476663695,0.42395997532725654,0.39681995750805293,0.3402953875676787
EOS-3-04349,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4OC)n23)nc1,DNCHPKYHGCEKHI-UHFFFAOYSA-N,3,1,0.376,62,366,436.475,3.889,5,0.449,0.82,1.0,0.39370159687478584,0.15103488451785346,0.5049174148447674,0.3842437118771846,0.35847440202864783
EOS-3-04350,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5C)n34)cc2)n(C)n1,ZRXLQMRAUBHESN-UHFFFAOYSA-N,3,1,0.354,85,740,439.483,2.288,5,0.445,0.76,1.0,0.14467822630388597,0.046843944897539576,0.0367521074635049,0.017887739017202385,0.06154050442053321
EOS-3-04351,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)nc1)N1CC(F)C1,YSNLPBDFBFVXPV-UHFFFAOYSA-N,3,1,0.462,66,455,457.391,2.985,5,0.438,0.77,0.999,0.3313086834349942,0.4762610513330135,0.5886162703036119,0.556995750805291,0.48829543896922767
EOS-3-04352,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncn5C)n4)n23)cc1,QLYWEMPZPABSOF-UHFFFAOYSA-N,3,1,0.45,89,731,455.482,2.31,5,0.396,0.82,0.999,0.3547220889589473,0.12565965321088343,0.0910150092522788,0.033059762867521075,0.15111412857240766
EOS-3-04353,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cc4F)n23)cc1,RROCWBQWZXXGDT-UHFFFAOYSA-N,3,1,0.387,62,916,465.492,3.87,6,0.409,0.84,1.0,0.24986292920293332,0.2360616133232815,0.43878075526009186,0.49367760948529915,0.3545957268179014
EOS-3-04354,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C)nc(-c5cccnc5)n4)n23)cc1,XEUPJTMEAXEBQT-UHFFFAOYSA-N,3,1,0.489,89,731,452.478,2.89,5,0.418,0.79,1.0,0.4570797066684943,0.21094338976081145,0.19418648481940923,0.09163182783907889,0.23846035227194845
EOS-3-04355,O=C(c1ccc(-c2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)cc1)N1CCCC1,NYHQKNYQUNDBFM-UHFFFAOYSA-N,3,1,0.378,52,376,447.502,4.151,6,0.411,0.88,1.0,0.04600438626550613,0.0037523130697005003,0.022933657734219723,0.10590432458364746,0.044648670413268456
EOS-3-04356,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(=O)NC)c(F)c4)n23)cc1,QZPFAZPJIQKTCD-UHFFFAOYSA-N,3,1,0.585,89,536,435.419,1.624,4,0.472,0.67,1.0,0.6399921184291687,0.37126482077993284,0.21838804742649578,0.08594338976081146,0.3288970940991022
EOS-3-04357,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Br)cc5)n34)c(F)c2)n1,DCUDVEVNBSLFFK-UHFFFAOYSA-N,3,1,0.448,61,917,451.263,3.55,5,0.417,0.82,1.0,0.3187410047289425,0.4941402234253992,0.5224196422452196,0.6158847919950654,0.4877964155986567
EOS-3-04358,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c2)cc1=O,YOTWPNVWWIVMGM-UHFFFAOYSA-N,3,1,0.539,4,506,429.415,2.665,5,0.423,0.81,1.0,0.41092111575628815,0.3570351586594476,0.504925981769584,0.46647762319237884,0.43483996984442463
EOS-3-04359,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cc1,DPJLYJGHFAWTBU-UHFFFAOYSA-N,3,1,0.685,66,12,414.347,2.883,4,0.538,0.84,1.0,0.8573264341032143,0.49895483517236655,0.9270612021108903,0.7557312727023507,0.7597684360222055
EOS-3-04360,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)n2)cc1,CWQWNCQXBBQDQS-UHFFFAOYSA-N,3,1,0.295,39,871,436.414,3.03,6,0.414,0.79,0.727,0.027234253992186964,0.10604139538071414,0.20456959769721061,0.3079895140840244,0.16145869028853405
EOS-3-04361,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nnn(-c5ccccc5)n4)n23)nc1,LVYKDFQLIUBNHG-UHFFFAOYSA-N,3,1,0.386,33,760,454.454,1.633,6,0.389,0.83,0.664,0.10685525323829759,0.0869971215132616,0.00832705092180111,0.010091837434034679,0.05306781577684875
EOS-3-04362,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cc(F)cc(-c4cnn(C)c4)c3)n12,RSWYPSIQXINWNW-UHFFFAOYSA-N,3,1,0.347,61,648,427.443,3.405,5,0.473,0.79,1.0,0.12278116647248304,0.19207045438969228,0.6633541224042218,0.5665564389006922,0.38619054554177235
EOS-3-04363,Cc1nc(-c2cccnc2)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)n1,NCZCLZMNAKEWCJ-UHFFFAOYSA-N,3,1,0.317,82,974,449.478,2.906,6,0.434,0.76,0.999,0.11486532794188198,0.03341100678500446,0.043888355835789185,0.05985710369405798,0.0630054485641834
EOS-3-04364,Cc1ccc(-c2nnc3cncc(OCc4cc(C(=O)NC5CC5)nc(C)n4)n23)cc1,RFIHCHRXOZYSSE-UHFFFAOYSA-N,3,1,0.488,63,536,415.457,2.669,5,0.516,0.84,1.0,0.44527448427112604,0.21095195668562813,0.029273182098553903,0.033068329792337744,0.17964198821191146
EOS-3-04365,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnncc4-c4ccc(F)cc4)n23)cc1,KWOIGJLQCLLZCJ-UHFFFAOYSA-N,3,1,0.364,62,124,439.454,3.804,5,0.447,0.79,1.0,0.27114317044753616,0.34227434720032895,0.6076519772462476,0.5600027414159413,0.44526805907751354
EOS-3-04366,Cc1c(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c(F)cc2F)cnn1C,OQEQWPDDVQLNFA-UHFFFAOYSA-N,3,1,0.327,50,523,446.421,2.939,5,0.454,0.75,0.999,0.14197107806181894,0.16655815228565554,0.5360410527037215,0.4601637996024947,0.32618352066342265
EOS-3-04367,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncn(C)n5)ccn4)n23)cc1,QLBRGLTXQBWOMS-UHFFFAOYSA-N,3,1,0.511,89,926,441.455,1.92,5,0.424,0.77,1.0,0.37552258241381675,0.1878298266054417,0.13705366321705162,0.05392022479610719,0.1885815742581043
EOS-3-04368,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)n1C,WCLBVXGLTVGUIU-UHFFFAOYSA-N,3,1,0.407,85,740,425.456,1.98,5,0.456,0.76,1.0,0.09446747995339592,0.06603385648687547,0.0602254814611747,0.034113494619971214,0.06371007813035433
EOS-3-04369,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,LOVZHWBSMOOODG-UHFFFAOYSA-N,3,1,0.28,30,301,432.451,3.106,6,0.418,0.81,1.0,0.09928209170036324,0.06604242341169214,0.152337057089987,0.2239993831814132,0.1354152388458639
EOS-3-04370,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnnc5)cc4F)n23)cc1,DYGYDOUANLNXOD-UHFFFAOYSA-N,3,1,0.381,62,3,425.427,3.414,5,0.474,0.77,1.0,0.27605201836748683,0.2565194297854842,0.7086474539099444,0.6303714618600507,0.4678975909807415
EOS-3-04371,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)n(C)n5)cc4)n23)cc1,AORZLQYKAKWTCJ-UHFFFAOYSA-N,3,1,0.524,89,637,453.506,3.439,5,0.423,0.84,1.0,0.4452830511959427,0.19207902131450894,0.4090620930710712,0.21573230073332877,0.31553911657871286
EOS-3-04372,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cc2)n1,HEGAPKVEIACFNF-UHFFFAOYSA-N,3,1,0.262,64,495,433.439,2.501,6,0.412,0.81,1.0,0.09689191967651292,0.03937358645740525,0.07687958330477691,0.10387396340209719,0.07925476321019807
EOS-3-04373,Cc1noc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,MWTDTUCDSXSSMP-UHFFFAOYSA-N,3,1,0.474,89,398,468.477,3.016,6,0.382,0.91,1.0,0.34802275375231306,0.12900075388938387,0.07263038859570968,0.05986567061887465,0.1523798917140703
EOS-3-04374,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nn1)N1CCOCC1,PWQJYQYILKTDQK-UHFFFAOYSA-N,3,1,0.419,52,229,465.477,2.178,6,0.393,0.83,1.0,0.020629154958536084,0.000805290932766774,0.003623809197450483,0.01153108080323487,0.009147333972997052
EOS-3-04375,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5cncnn5)c4)n23)nc1,BDOYZZQSKKMVAI-UHFFFAOYSA-N,3,1,0.269,33,432,436.439,1.992,6,0.438,0.74,1.0,0.09929065862517991,0.014298197519018573,0.06023404838599136,0.09164039476389556,0.06636582482352135
EOS-3-04376,N#Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,OOWXKRYTAXQZEE-UHFFFAOYSA-N,3,1,0.457,0,646,412.428,3.285,5,0.543,0.9,1.0,0.35939106298403123,0.36157562881228156,0.6076605441710644,0.6564063463779042,0.49625839558632034
EOS-3-04377,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cn(-c4cnccn4)nn3)n12,LIHGWFFMOIXEAD-UHFFFAOYSA-N,3,1,0.336,74,295,454.454,1.73,6,0.406,0.78,1.0,0.03871393324652183,0.03938215338222192,0.034139195394421215,0.034122061544787884,0.03658933589198821
EOS-3-04378,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)cc1,FSKSHSLPHBMKGC-UHFFFAOYSA-N,3,1,0.446,62,3,428.402,3.897,5,0.438,0.84,1.0,0.28183469261873756,0.2875573983962717,0.8810225481461175,0.8580631896374478,0.5771194571996436
EOS-3-04379,O=C(c1ccc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1F)N1CC(F)(F)C1,ZMTBOBBBSZUUTH-UHFFFAOYSA-N,3,1,0.51,63,636,455.4,2.433,5,0.44,0.78,0.999,0.41312281543417173,0.49414879035021586,0.23628435336851483,0.342479953395929,0.3715089781372079
EOS-3-04381,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)s4)n23)cc1,YCHOUBKNFPDVAO-UHFFFAOYSA-N,3,1,0.517,89,770,444.48,2.643,5,0.424,0.81,1.0,0.5394678226303886,0.2669539442121856,0.07688815022959358,0.03618669042560482,0.22987415187444316
EOS-3-04382,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(C(=O)N(C)C)c4F)n23)cn1,GZXZSOIWQVAMKE-UHFFFAOYSA-N,3,1,0.457,63,555,450.434,1.361,4,0.466,0.73,1.0,0.4431327530669591,0.3371598930847783,0.08867623877732848,0.021194571996436158,0.2225408642313755
EOS-3-04383,CCCOc1ncc(Cl)cc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,YXWJKDQVHDSTCT-UHFFFAOYSA-N,3,1,0.412,63,334,462.941,4.112,5,0.423,0.87,1.0,0.38243609074086765,0.31316393667329173,0.14020629154958536,0.1758018641628401,0.2529020457816462
EOS-3-04384,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)c(Br)cc4F)n23)nc1,LRFSMACGDPQYEA-UHFFFAOYSA-N,3,1,0.459,90,244,461.226,2.905,4,0.458,0.73,0.998,0.5887105064765952,0.40924199849222126,0.7585754917414845,0.702522102666027,0.614762524844082
EOS-3-04385,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccn2)o1,XILKFVLJZWGYBJ-UHFFFAOYSA-N,3,1,0.517,89,398,428.412,2.223,5,0.43,0.8,1.0,0.44529161812075935,0.1360170653142348,0.14021485847440202,0.07143958604619285,0.19824078198889725
EOS-3-04386,CCn1c(-c2cc(F)cnn2)nnc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,CRIRBTUDXPNQPQ-UHFFFAOYSA-N,3,1,0.364,74,333,444.434,2.025,5,0.436,0.75,1.0,0.17769515454732368,0.2209923925707628,0.0315091494757042,0.03519292714687136,0.11634740593516552
EOS-3-04387,Cn1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)nc2)cn1,YHYBZYDHOLPRAG-UHFFFAOYSA-N,3,1,0.392,14,357,428.431,2.416,5,0.459,0.75,1.0,0.197544719347543,0.19208758823932562,0.4531646220272771,0.3684805702145158,0.3028193749571654
EOS-3-04388,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cnn2)n1C,AVYTUXGVEJMJKN-UHFFFAOYSA-N,3,1,0.311,52,295,452.482,2.244,6,0.43,0.77,0.998,0.08465835103831129,0.018752998423685833,0.015240559248852032,0.021203138921252827,0.0349637619080255
EOS-3-04389,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)c(F)c4)n23)cc1,WCDANMMBGUPRBA-UHFFFAOYSA-N,3,1,0.37,62,341,450.477,4.552,6,0.425,0.91,1.0,0.19468336645877596,0.21576656843259542,0.6167243506270988,0.6884637790418752,0.4289095161400863
EOS-3-04390,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnc(C)nc5)n4)n23)cc1,HDWQSPBNRGDHKF-UHFFFAOYSA-N,3,1,0.441,89,943,453.466,2.285,5,0.411,0.77,1.0,0.5500479747789734,0.22100095949557946,0.13706223014186827,0.05010794325269002,0.23955477691727775
EOS-3-04391,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)ns4)n23)cc1F,WLBDXHLWWCRUHS-UHFFFAOYSA-N,3,1,0.423,96,837,435.419,3.354,5,0.463,0.75,1.0,0.147488177643753,0.2516020149407169,0.42742101295319035,0.5000428346240834,0.3316385100404359
EOS-3-04392,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)cc(C(F)F)n4)n23)cc1,HPMCBRVEZCFEOI-UHFFFAOYSA-N,3,1,0.411,66,264,462.382,4.093,4,0.452,0.79,1.0,0.4021228839695703,0.4497549859502433,0.9809043245836474,0.92541635254609,0.6895496367623878
EOS-3-04393,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cncs5)c(F)c4)n23)cn1,AXNKIKNZENLBJZ-UHFFFAOYSA-N,3,1,0.33,82,204,457.494,4.008,6,0.428,0.86,1.0,0.23618155027071483,0.23607018024809814,0.2687272976492358,0.3716931670207662,0.27816804879720375
EOS-3-04394,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)cn1,HFDBRHQUKNGMMF-UHFFFAOYSA-N,3,1,0.347,85,290,423.44,1.989,5,0.455,0.76,1.0,0.11184120348159825,0.06605099033650881,0.15234562401480364,0.09164896168871221,0.10547169488040574
EOS-3-04395,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nn5)c4)n23)cc1,NPIMYFFQHRHHPM-UHFFFAOYSA-N,3,1,0.505,89,805,458.869,2.975,5,0.41,0.78,0.998,0.6794599410595573,0.46317935713796177,0.4163268453156055,0.34893084778287986,0.4769742478240011
EOS-3-04396,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C(F)F)cc4OCC)n23)nc1,ZGRGARKYOWETNA-UHFFFAOYSA-N,3,1,0.3,63,108,439.426,3.334,4,0.471,0.74,0.799,0.3571036940579809,0.3080152148584744,0.4493523404838599,0.24758412720169967,0.34051384415050373
EOS-3-04397,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnn(C)c5)c4)n23)cc1,HZILTSPIKIKXLV-UHFFFAOYSA-N,3,1,0.536,89,637,439.479,3.13,5,0.436,0.78,1.0,0.4593499417449112,0.2060602426153108,0.512250702487835,0.3264683709135769,0.3760323144404085
EOS-3-04398,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cnccn5)nc4)n23)nc1)N1CCOCC1,DGFATRKYSLBYOH-UHFFFAOYSA-N,3,1,0.372,86,800,466.465,1.573,6,0.384,0.84,1.0,0.02839078884243712,0.00029984236858337333,0.0023644712494003154,0.00402645466383387,0.00877038928106367
EOS-3-04399,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1,KNONNTCORXFQSL-UHFFFAOYSA-N,3,1,0.284,25,213,432.451,3.106,6,0.418,0.8,1.0,0.03186896031800425,0.03341957370982112,0.21177438146802824,0.2744157357275033,0.13786966280583923
EOS-3-04400,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccnc5F)n4)n23)cc1,DJJZBSBYQNQLIF-UHFFFAOYSA-N,3,1,0.373,62,139,425.427,3.414,5,0.443,0.81,1.0,0.19209615516414227,0.20157974093619355,0.5224282091700363,0.43185868000822425,0.33699069631964906
EOS-3-04401,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(C(F)(F)F)c4)n23)cc1,NIVTTWLQSNWFOQ-UHFFFAOYSA-N,3,1,0.588,48,240,461.831,4.402,4,0.476,0.8,1.0,0.9784970187101638,0.9213984648070729,0.9865242272633815,0.9559660064423274,0.9605964293057365
EOS-3-04402,COc1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5(C)CC5)c(F)c4)n23)cc1F,IJFONKYRSZKTBI-UHFFFAOYSA-N,3,1,0.326,0,999,436.422,3.422,5,0.515,0.72,1.0,0.38701082859296826,0.3520320745665136,0.32031731889520937,0.3749485984511,0.3585772051264478
EOS-3-04403,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(C(F)F)nn5)ccn4)n23)cc1,GKRIEPMQAWDCRJ-UHFFFAOYSA-N,3,1,0.385,74,333,445.393,2.742,5,0.436,0.76,1.0,0.1835720649715578,0.11537934343088205,0.4565314234802275,0.35518470289904736,0.2776668836954287
EOS-3-04404,Brc1cnc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)nc1,XSRIIJLDUIUFDA-UHFFFAOYSA-N,3,1,0.345,86,261,432.245,2.863,5,0.428,0.76,1.0,0.21688026865876225,0.2157751353574121,0.12268693029949969,0.17038756767870605,0.18143247549859504
EOS-3-04405,CNC(=O)c1ccc(-c2nnc3cncc(Cc4nnc(-c5cncs5)cc4F)n23)cc1,VHVILAGYLQPARY-UHFFFAOYSA-N,3,1,0.416,14,357,446.471,2.794,5,0.442,0.72,1.0,0.24987149612774998,0.22628675210746352,0.197621821670893,0.16248886299773832,0.2090672332259612
EOS-3-04406,O=C(c1ccc(-c2cncc3nnc(-c4ccc(CO)cc4)n23)nc1)N1CCOCC1,RVGGTEHWCOZWBK-UHFFFAOYSA-N,3,1,0.429,0,175,416.441,1.818,5,0.541,0.84,1.0,0.06274415735727504,0.0009509286546501268,0.012807552600918374,0.04218353779727229,0.02967154410252896
EOS-3-04407,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(C)c5)ncn4)n23)cn1,BJXRIXMORUDLAW-UHFFFAOYSA-N,3,1,0.308,82,204,423.44,2.373,5,0.467,0.76,1.0,0.2168888355835789,0.05410869714207388,0.15235419093962033,0.08424713864711124,0.1268997155780961
EOS-3-04408,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4F)n23)cc1F,OOUCAJVZRPLZGE-UHFFFAOYSA-N,3,1,0.345,96,648,431.402,4.356,5,0.457,0.84,1.0,0.3523404838599136,0.2823315742581043,0.8810311150709341,0.8561441984785142,0.5929618429168665
EOS-3-04409,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnc(C)s5)nc4)n23)cc1,ARPBMIPKULOQGH-UHFFFAOYSA-N,3,1,0.429,89,310,444.48,3.165,5,0.439,0.78,1.0,0.5346703447330546,0.3230244671372764,0.1084487012541978,0.05258378452470701,0.25468182441230897
EOS-3-04410,Fc1cccc(-c2cncnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)c1,GAEOZMSYSMDAFC-UHFFFAOYSA-N,3,1,0.293,76,387,437.402,2.63,6,0.441,0.76,0.371,0.17770372147214036,0.25161058186553353,0.21839661435131244,0.32647693783839354,0.243546963881845
EOS-3-04411,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cc4)n23)cc1,ZVSMZHBLZLRNMZ-UHFFFAOYSA-N,3,1,0.354,62,302,432.487,4.413,6,0.445,0.87,1.0,0.1419796449866356,0.06605955726132548,0.46706874100472895,0.5339592899732712,0.30226680830649033
EOS-3-04412,Cc1cnc(Cl)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cn2)n1,GIGFZQCOZYBZNC-UHFFFAOYSA-N,3,1,0.314,50,432,443.858,2.766,5,0.447,0.72,0.764,0.16141799739565485,0.17055033925022273,0.15838530601055445,0.15988451785347133,0.16255954012747584
EOS-3-04413,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cnccn5)n4)n23)cc1Cl,CDPBIIYUNBSWCV-UHFFFAOYSA-N,3,1,0.347,74,155,460.86,3.462,5,0.437,0.79,1.0,0.292808923308889,0.32303303406209305,0.5122592694126517,0.5202864779658694,0.41209692618737576
EOS-3-04414,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1)N1CCC1,GWHSFAJXDNAOEY-UHFFFAOYSA-N,3,1,0.36,62,376,432.487,4.366,6,0.422,0.9,1.0,0.1254797477897334,0.06606812418614215,0.07480638749914331,0.21837948050167913,0.1211834349941745
EOS-3-04415,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(C)s5)cn4)n23)cc1F,ZQVYHFJFASEOFY-UHFFFAOYSA-N,3,1,0.341,74,802,445.483,3.784,5,0.452,0.76,1.0,0.17771228839695702,0.21578370228222876,0.3611130148721815,0.28037831539990404,0.2587468302378178
EOS-3-04416,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncn4)n23)cc1,SLPLMQMRPOYUJT-UHFFFAOYSA-N,3,1,0.527,89,463,443.402,1.855,5,0.415,0.76,1.0,0.6116184634363648,0.2980261805222397,0.2117829483928449,0.14425844698786924,0.31642150983482964
EOS-3-04417,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnn(C(F)F)c5)c4)n23)cn1,MLTMSGZBYXRDPD-UHFFFAOYSA-N,3,1,0.353,82,859,433.382,2.606,5,0.451,0.72,1.0,0.1227897333972997,0.155095606880954,0.5259149475704201,0.4253992186964567,0.30729987663628267
EOS-3-04418,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c(F)c1,QEVUVRTZBGZZEO-UHFFFAOYSA-N,3,1,0.361,96,648,431.406,3.236,5,0.471,0.72,1.0,0.29829175519155643,0.2109605236104448,0.7138390103488452,0.6737972037557398,0.4742221232266466
EOS-3-04419,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)cn5)n4)n23)cc1,CUEQHQWWUQUXIT-UHFFFAOYSA-N,3,1,0.465,89,731,456.441,2.721,5,0.414,0.75,1.0,0.6339096018093345,0.3712733877047495,0.36112158179699816,0.2535895414981838,0.40497352820231647
EOS-3-04420,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccc5F)n4)n23)cc1,WBILWWLTQHQFOZ-UHFFFAOYSA-N,3,1,0.474,1,731,455.453,3.326,5,0.418,0.79,1.0,0.6822870262490577,0.4140994448632719,0.5122678363374683,0.4158984990747721,0.5061382016311424
EOS-3-04421,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccc(C(F)(F)F)c5)n34)nc2)n1,ZZQZTMCJWDZPKK-UHFFFAOYSA-N,3,1,0.337,50,542,423.362,3.063,5,0.44,0.82,1.0,0.19755328627235968,0.3520406414913303,0.8260228908231101,0.7481838119388664,0.5309501576314166
EOS-3-04422,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)cc1,PTBOFUCNRSNLIK-UHFFFAOYSA-N,3,1,0.26,25,213,433.439,2.501,6,0.412,0.79,1.0,0.07612569392091015,0.0660766911109588,0.09542697553286272,0.11754677540949901,0.08879403399355768
EOS-3-04423,Cn1ncnc1-c1cc(F)cc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,IRDDUEOVWYTCLR-UHFFFAOYSA-N,3,1,0.56,89,250,444.43,2.404,5,0.426,0.74,1.0,0.5887190734014118,0.3029778630662737,0.412420327599205,0.3079980810088411,0.40302883626893293
EOS-3-04424,CCOc1c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)ccc(F)c1F,FFCKAMSSQNVHLC-UHFFFAOYSA-N,3,1,0.346,63,688,436.422,3.422,5,0.498,0.76,0.999,0.44074258104310876,0.4046758275649373,0.34995887876088,0.38755911178123503,0.39573409978754026
EOS-3-04425,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5)ncn4)n23)cc1,CFQHNDQLEOGJSR-UHFFFAOYSA-N,3,1,0.448,89,463,441.455,1.92,5,0.424,0.79,1.0,0.31384929065862516,0.15883935302583785,0.20820197381947775,0.0842557055719279,0.19128658076896715
EOS-3-04426,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5ccncc5)nn4)n23)cc1,LPIFGYYTSMDSQG-UHFFFAOYSA-N,3,1,0.393,52,916,466.48,3.265,6,0.409,0.8,1.0,0.16951374134740593,0.15104345144267015,0.19419505174422588,0.2658402439860188,0.1951481221300802
EOS-3-04427,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cscn5)cn4)n23)cc1F,CEXRVGWHHUTALC-UHFFFAOYSA-N,3,1,0.337,74,802,458.482,3.403,6,0.43,0.78,1.0,0.1587451168528545,0.2015883078610102,0.16164073744088822,0.2418271537248989,0.19095032896991296
EOS-3-04428,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccccc4)n23)cc1,MCWMPTSUDVZTRE-UHFFFAOYSA-N,3,1,0.356,62,302,438.516,4.474,6,0.437,0.88,1.0,0.11487389486669865,0.10284593242409705,0.16793742718113905,0.2626447810294017,0.16207550887533412
EOS-3-04429,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnc5cnc(Cl)cn45)n23)cc1,VTXBSVZSNWMERQ-UHFFFAOYSA-N,3,1,0.37,74,333,418.848,2.904,5,0.481,0.82,1.0,0.15335652114317044,0.21579226920704545,0.2687358645740525,0.277491261736687,0.22884397916523885
EOS-3-04430,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)cc(F)c5)no4)n23)cc1,WRMARCCSBDNSBY-UHFFFAOYSA-N,3,1,0.418,96,837,419.351,2.885,5,0.475,0.83,1.0,0.26034884517853474,0.2360787471729148,0.5014478102940169,0.5069049414022343,0.3761950860119252
EOS-3-04431,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccoc5)nc(C(F)F)n4)n23)cc1,QWSGCRYIBHAFNO-UHFFFAOYSA-N,3,1,0.347,29,333,448.393,3.201,5,0.435,0.76,1.0,0.3288842437118772,0.18783839353025839,0.26151394695360153,0.16765471866218903,0.23647282571448155
EOS-3-04432,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cc(F)c4F)n23)cc1,LEDUAPZMCYPXEG-UHFFFAOYSA-N,3,1,0.353,96,648,457.444,3.943,5,0.429,0.83,1.0,0.3236669864985265,0.2980347474470564,0.77496401891577,0.6969364676855596,0.5234005551367281
EOS-3-04433,CCc1nc(-c2ccncc2)ncc1-c1cncc2nnc(-c3ccc(C(=O)NC)nn3)n12,YBCQPRSWOSNUEZ-UHFFFAOYSA-N,3,1,0.294,82,974,438.455,2.022,5,0.437,0.74,0.998,0.19210472208895896,0.05047632101980673,0.020003769446919333,0.01056301829895141,0.0682869577136591
EOS-3-04434,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cn1,JOJMMHVLTYFFDM-UHFFFAOYSA-N,3,1,0.276,98,866,436.443,1.839,6,0.406,0.77,1.0,0.10926255911178123,0.07329004180659311,0.043896922760605854,0.05542800356384072,0.07046938181070522
EOS-3-04435,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnnn6C)cn5)n34)cc2)nc1,CGGFLYUSGLPFAH-UHFFFAOYSA-N,3,1,0.296,98,654,447.466,2.809,6,0.401,0.79,1.0,0.08466691796312796,0.08375882393256116,0.08868480570214515,0.10591289150846413,0.09075585977657459
EOS-3-04436,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccon5)cc4)n23)c(F)c1,UFRRDMOGMFWLCH-UHFFFAOYSA-N,3,1,0.329,25,508,439.414,3.443,6,0.411,0.81,1.0,0.25248440819683365,0.28756596532108836,0.41991638681378934,0.4756185319717634,0.3588963230758687
EOS-3-04437,CC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc1,FJVUEWVTGYGFJK-UHFFFAOYSA-N,3,1,0.298,63,175,468.521,2.765,6,0.478,0.74,0.939,0.08467548488794463,0.03342814063463779,0.0031526283325337538,0.006733602905900898,0.03199746419025427
EOS-3-04438,CC(C)(O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,ODRJWKLTDVTOPF-UHFFFAOYSA-N,3,1,0.836,90,948,427.867,3.828,4,0.503,0.85,1.0,0.9779059008978137,0.9195137413474059,0.905352614625454,0.8053509012404907,0.902030789527791
EOS-3-04439,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)cc1,QDAARIQFXAPBAV-UHFFFAOYSA-N,3,1,0.337,25,791,449.453,3.85,6,0.403,0.86,1.0,0.14749674456856968,0.282340141182921,0.47052977863066275,0.5698033034062093,0.3675424919470907
EOS-3-04440,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)ccn4)n23)cc1,BDZFXQKTHMAGID-UHFFFAOYSA-N,3,1,0.511,89,926,441.455,1.92,5,0.424,0.78,1.0,0.40645774792680417,0.13602563223905148,0.1429905421150024,0.06447467617024193,0.187487149612775
EOS-3-04441,Cc1cc(C)c(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ncc2F)nn1,DVTDLPIJBPCMFU-UHFFFAOYSA-N,3,1,0.384,74,139,440.442,3.165,5,0.455,0.73,1.0,0.1747909670344733,0.15510417380577068,0.3574035364265643,0.2774998286615037,0.241199626482078
EOS-3-04442,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)c1,SDHYBVWCSSKAST-UHFFFAOYSA-N,3,1,0.301,25,791,432.451,3.106,6,0.418,0.82,1.0,0.059128915084641215,0.03343670755945446,0.15516414227948735,0.2418357206497156,0.12239137139332465
EOS-3-04443,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ncc(-c5ccccc5)cn4)n23)cn1,DOFLMQMMHKNIIO-UHFFFAOYSA-N,3,1,0.276,42,522,432.451,3.106,6,0.418,0.82,0.954,0.060902268521691456,0.01567747241450209,0.12523130697005003,0.16512747584127202,0.09173463093687889
EOS-3-04444,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)nn5)ncn4)n23)cc1,LHSCEGOFBBHHHQ-UHFFFAOYSA-N,3,1,0.344,74,295,454.429,2.132,6,0.423,0.76,0.685,0.17206668494277294,0.13238468919196766,0.05640463299294085,0.09353368514837913,0.11359742306901514
EOS-3-04445,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cn1,FQKGCQFXWGYDGA-UHFFFAOYSA-N,3,1,0.314,52,582,450.506,3.629,6,0.424,0.82,1.0,0.07406963196490987,0.025246727434720034,0.14927866493043657,0.15440168597080392,0.10074917757521759
EOS-3-04446,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1,IINMYHIJEWKJQE-UHFFFAOYSA-N,3,1,0.506,90,708,412.812,2.917,4,0.541,0.87,1.0,0.721917620450963,0.5444023713247893,0.5886248372284285,0.5138955520526352,0.592210095264204
EOS-3-04447,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)c5)cn4)n23)cc1F,TZVMHQFEJAQDPT-UHFFFAOYSA-N,3,1,0.5,97,210,459.416,3.204,5,0.414,0.82,1.0,0.7491433075183332,0.41410801178808854,0.6521742855184703,0.6217531354944829,0.6092946850798437
EOS-3-04448,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)cc1F,SRCAGNNMMLDNMN-UHFFFAOYSA-N,3,1,0.5,90,133,470.867,3.632,5,0.443,0.82,1.0,0.70032896991296,0.49415735727503257,0.44936090740867657,0.5884963333561785,0.5580858919882119
EOS-3-04449,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(C)cn5)cn4)n23)cc1,GHYLZHHVRGCONN-UHFFFAOYSA-N,3,1,0.506,7,408,453.466,2.285,5,0.411,0.78,1.0,0.47124083339044615,0.19667945994105956,0.15236275786443698,0.06132204783770818,0.22040127475841273
EOS-3-04450,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(F)c1,WHJCBPXNCKBTHH-UHFFFAOYSA-N,3,1,0.507,61,917,438.373,3.389,5,0.415,0.83,1.0,0.43146460146665755,0.6887036529367419,0.8070985539030909,0.8163765334795422,0.6859108354465081
EOS-3-04451,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4nccc(-c5ccccc5)n4)n23)cc1,YSTXVAZHHRYOOQ-UHFFFAOYSA-N,3,1,0.495,1,347,469.48,3.527,5,0.37,0.91,1.0,0.45935850866972794,0.17938283873620725,0.27642896305942016,0.2096583510383113,0.2812071653759166
EOS-3-04452,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4)n23)cc1F,GTJZDGOCIOYDPW-UHFFFAOYSA-N,3,1,0.489,62,451,457.469,3.791,5,0.431,0.85,1.0,0.7096240833390446,0.4989634020971832,0.4880234391062984,0.34248852032074567,0.5097748612158179
EOS-3-04453,COc1ccc(-c2nn[nH]n2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,NRKFJAOVZZKHPJ-UHFFFAOYSA-N,3,1,0.333,52,269,453.466,2.539,6,0.4,0.86,1.0,0.28453327393598793,0.1433332191076691,0.13090261119868413,0.12652491261736687,0.171323504214927
EOS-3-04454,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)cc1,GURWWAQUUVPDBD-UHFFFAOYSA-N,3,1,0.37,25,791,449.453,3.85,6,0.403,0.85,1.0,0.18629634706325818,0.3183212254129258,0.477280515386197,0.5665650058255088,0.38711577342197245
EOS-3-04455,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccnc(-c4cncnn4)c3)n12,WMIIZLBOEDVQAQ-UHFFFAOYSA-N,3,1,0.303,52,916,463.505,2.83,6,0.408,0.8,1.0,0.09690048660132959,0.02748269481187033,0.10308580631896375,0.11983414433554931,0.08682578301692825
EOS-3-04456,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cc(-c5ncccn5)no4)n23)cc1,PDSIINWDOJBPAK-UHFFFAOYSA-N,3,1,0.373,52,916,452.478,2.914,6,0.4,0.84,1.0,0.17207525186758962,0.08024638475772737,0.028176615722020425,0.04219210472208896,0.08067258926735658
EOS-3-04457,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)cc4)n23)cn1,PCSHRRJPJKAMIY-UHFFFAOYSA-N,3,1,0.517,89,82,442.414,2.46,5,0.424,0.77,1.0,0.6972277431293263,0.39490953327393596,0.3238554588444932,0.25359810842300046,0.41739771091768896
EOS-3-04458,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)cn4)n23)cc1,UPAVIGKSIAILFV-UHFFFAOYSA-N,3,1,0.541,89,731,442.414,2.46,5,0.424,0.77,1.0,0.6731803851689397,0.32304160098690976,0.35741210335138096,0.25360667534781717,0.40181019121376194
EOS-3-04459,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncs5)c4)n23)cc1,PQJGELPYUQCUCG-UHFFFAOYSA-N,3,1,0.446,14,319,446.923,4.258,5,0.435,0.84,1.0,0.28740319374957163,0.2721112329518196,0.6578627235967377,0.6479079569597698,0.46632127681447466
EOS-3-04460,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nn1,NSCHFWPPHNZWNG-UHFFFAOYSA-N,3,1,0.329,8,213,434.427,1.896,6,0.404,0.78,1.0,0.08049482557741074,0.08700568843807827,0.034147762319237884,0.06959769721060928,0.06781149338633403
EOS-3-04461,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnc(C)o5)c4)n23)cn1,YQEHEUIZXZRUGJ-UHFFFAOYSA-N,3,1,0.478,4,483,460.429,2.622,5,0.406,0.85,1.0,0.5473322596120896,0.4322184908505243,0.22203755739839628,0.134903365088068,0.3341229182372696
EOS-3-04462,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1,DBSQKLVOQKKQLL-UHFFFAOYSA-N,3,1,0.321,67,681,456.42,3.113,6,0.401,0.79,1.0,0.04738366116098965,0.24656466314851622,0.45988109108354464,0.5139041189774518,0.3169333835926256
EOS-3-04463,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)cn5)n4)n23)cn1,HIUZOMFANZUSDI-UHFFFAOYSA-N,3,1,0.341,29,849,428.391,1.599,5,0.452,0.71,0.879,0.2760605852923035,0.22629531903228017,0.06629943115619218,0.05543657048865739,0.1560229764923583
EOS-3-04464,Cn1c(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nnc1C(F)(F)F,BLWNXZHJGKHMHX-UHFFFAOYSA-N,3,1,0.58,68,12,418.339,1.616,4,0.522,0.76,1.0,0.4790024672743472,0.4092505654170379,0.34996744568569665,0.1897231169899253,0.3569858988417518
EOS-3-04465,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccn(C)c5C)nn4)n23)cc1F,DYECQVPCGRPXCJ-UHFFFAOYSA-N,3,1,0.34,74,768,442.458,3.061,5,0.459,0.75,1.0,0.2711517373723528,0.24657323007333287,0.419924953738606,0.30145295044890685,0.3097757179082996
EOS-3-04466,CC1CCC(C)N1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c(F)c1,BVHXXXPPTUECJX-UHFFFAOYSA-N,3,1,0.33,0,825,459.485,3.104,5,0.501,0.72,0.515,0.13920396134603522,0.11538791035569872,0.18411178123500788,0.1816016722637242,0.1550763313001165
EOS-3-04467,CCc1nc(-c2cccnn2)cc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)n1,DVVLQLWJWKBZFT-UHFFFAOYSA-N,3,1,0.333,74,423,437.467,2.627,5,0.445,0.74,1.0,0.18930333767390858,0.03639229662120485,0.08133438420944418,0.04606435473922281,0.08827359331094511
EOS-3-04468,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncnn5C)c4)n23)cc1,VKFMKJAHWGJDNX-UHFFFAOYSA-N,3,1,0.506,89,656,441.455,1.92,5,0.424,0.77,1.0,0.40004112123912,0.12900932081420052,0.16164930436570488,0.0734528133781098,0.19103813994928381
EOS-3-04469,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c(F)c1,BALYJEHJVPRYGX-UHFFFAOYSA-N,3,1,0.351,25,508,439.414,3.443,6,0.411,0.8,1.0,0.32367555342334314,0.32772770886162705,0.44580563360975944,0.4906877527242821,0.39697416215475295
EOS-3-04470,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc(COC(F)F)nn4C)n23)nc1,DEBLVYDRNIZIIX-UHFFFAOYSA-N,3,1,0.271,63,108,429.391,1.471,4,0.468,0.73,0.345,0.18358063189637447,0.1793914056610239,0.04890000685353985,0.03413062846960455,0.1115006682201357
EOS-3-04471,O=C(NC1CCOC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)cc1,PUFPWPYBYURURF-UHFFFAOYSA-N,3,1,0.295,74,295,454.454,1.348,6,0.417,0.77,1.0,0.022770886162703036,0.006519429785484202,0.04566170927283942,0.05544513741347406,0.03259929065862518
EOS-3-04472,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)nc4)n23)nc1,CXAALFOOQGCINI-UHFFFAOYSA-N,3,1,0.4,98,219,451.429,2.64,6,0.398,0.78,1.0,0.18630491398807483,0.3029864299910904,0.1647590980741553,0.23590740867658144,0.2224894626824755
EOS-3-04473,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(Cl)c(-c5ccc(F)nc5)n4)n23)cc1,XEVPYEZAZIKUDM-UHFFFAOYSA-N,3,1,0.404,96,139,446.833,3.202,5,0.42,0.78,1.0,0.2114916729490782,0.3323110136385443,0.5087725310122678,0.520295044890686,0.3932175656226441
EOS-3-04474,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnc5F)c4)n23)nc1,KQNWYKXYCWCYNT-UHFFFAOYSA-N,3,1,0.265,33,432,442.418,1.86,6,0.409,0.76,0.983,0.03718902062915496,0.13239325611678432,0.07263895552052635,0.10804605578781441,0.08756682201357001
EOS-3-04475,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,OZVRVZPMGGMYOW-UHFFFAOYSA-N,3,1,0.506,62,310,451.49,3.876,6,0.421,0.84,1.0,0.48380851209649783,0.20159687478582689,0.24356623946268247,0.23591597560139813,0.29122190048660135
EOS-3-04476,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnnc5)nc(C)n4)n23)cc1F,KGIKLFMFFWGWCR-UHFFFAOYSA-N,3,1,0.309,74,768,455.457,2.903,5,0.429,0.78,1.0,0.23892296621204853,0.19668802686587622,0.2578473031320677,0.18973168391474196,0.2207974950311836
EOS-3-04477,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)c(F)c1,YECAZTPOCAGKDQ-UHFFFAOYSA-N,3,1,0.294,25,219,450.441,3.245,6,0.402,0.81,0.996,0.17479953395928996,0.26696251113700226,0.2910098690973888,0.4029710095264204,0.28393573093002533
EOS-3-04478,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)nc1,ZASMEARGMQARCF-UHFFFAOYSA-N,3,1,0.284,33,432,425.416,1.116,6,0.438,0.79,1.0,0.008335617846617778,0.008541224042217806,0.010657254471934755,0.015514700842985401,0.010762199300938935
EOS-3-04479,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,XBHZFMGIZTWHQJ-UHFFFAOYSA-N,3,1,0.523,89,637,467.493,2.453,6,0.387,0.87,1.0,0.4293485710369406,0.11248372284284833,0.07042012199300939,0.07733363032006031,0.17239651154821467
EOS-3-04480,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnccn5)cnn4)n23)cc1,PNOMDBUJFVEMHT-UHFFFAOYSA-N,3,1,0.314,74,333,423.44,2.455,5,0.457,0.78,1.0,0.09199163868137893,0.01430676444383524,0.17453395928997328,0.11984271126036598,0.10016876841888836
EOS-3-04481,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccn5)cn4)n23)nc1,IECYTYGPRAJPBJ-UHFFFAOYSA-N,3,1,0.355,33,432,423.44,2.455,5,0.457,0.78,1.0,0.13134809128915084,0.039390720307038586,0.08134295113426085,0.05392879172092386,0.07650263861284352
EOS-3-04482,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nn5)n34)nc2)c1,NOBOSWYYKHHMBJ-UHFFFAOYSA-N,3,1,0.28,52,523,448.49,3.511,6,0.438,0.79,1.0,0.1092711260365979,0.039399287231855255,0.08869337262696182,0.15719450346103764,0.09863957233911315
EOS-3-04483,Cc1nc(-c2nnc3cncc(-c4cnnc5ccncc45)n23)ccc1C(=O)NC1CC1,XUDUNCPTYAWOEG-UHFFFAOYSA-N,3,1,0.266,33,432,423.44,2.392,6,0.467,0.77,1.0,0.07407819888972654,0.06608525803577547,0.034156329244054554,0.06285552737989171,0.059293828387362066
EOS-3-04484,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(Cl)n5)nc4)n23)cc1,DTJPCRVYHUBZSS-UHFFFAOYSA-N,3,1,0.378,62,139,441.882,3.928,5,0.424,0.81,1.0,0.20577753409636076,0.22630388595709683,0.5529521622918238,0.5036495099719005,0.37217077307929547
EOS-3-04485,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)c1,BYAIMZQAVCMOHE-UHFFFAOYSA-N,3,1,0.324,98,882,434.467,3.049,6,0.42,0.81,1.0,0.07822459050099376,0.061998834898224935,0.2471472140360496,0.20966691796312795,0.14925938934959906
EOS-3-04486,COC(=O)c1ccc(-c2nnc3cncc(C(F)(F)c4ccc(F)c(Cl)c4)n23)nc1,NDYPSXGKXHHVLW-UHFFFAOYSA-N,3,1,0.385,66,225,433.777,3.906,4,0.454,0.79,0.183,0.41313138235898844,0.47626961825783015,0.9809128915084642,0.955357754780344,0.7064179117264067
EOS-3-04487,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5nnnn5C)c4)n23)nc1,WRPGZNCJNLFGLT-UHFFFAOYSA-N,3,1,0.347,33,784,426.444,1.327,5,0.446,0.73,1.0,0.0721763415804263,0.08376739085737783,0.04390548968542252,0.027199986292920295,0.05676230210403674
EOS-3-04488,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)nc(Cc5ccc(Cl)cc5)n4)n23)cc1,VOSZPVXXBMVUGP-UHFFFAOYSA-N,3,1,0.363,62,124,470.924,3.556,5,0.418,0.86,1.0,0.22811150709341374,0.27211979987663626,0.22204612432321294,0.22127510108971285,0.23588813309574394
EOS-3-04489,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cn4)n23)nc1,FPTUGIUWXPLKLN-UHFFFAOYSA-N,3,1,0.276,33,776,451.45,2.723,6,0.414,0.82,1.0,0.3432252758549791,0.1793999725858406,0.054656980330340624,0.05545370433829073,0.15818398327736277
EOS-3-04490,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cnc(-c4ccccc4F)nc3)n12,BYWZBVMXHJUKGJ-UHFFFAOYSA-N,3,1,0.397,96,648,425.427,3.462,5,0.472,0.77,1.0,0.23619011719553148,0.2516191487903502,0.5360496196285381,0.48481084230004795,0.3771674319786169
EOS-3-04491,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)nc1,DXTANOPXNLDNDQ-UHFFFAOYSA-N,3,1,0.293,52,523,422.448,4.006,6,0.46,0.89,1.0,0.10180076759646357,0.05411726406689055,0.27230827222260295,0.36848913713933246,0.19917886025632237
EOS-3-04492,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(C)cn5)n4)n23)cc1,VPZUDTWUBKCNDU-UHFFFAOYSA-N,3,1,0.478,7,408,453.466,2.285,5,0.411,0.77,1.0,0.4246538962374066,0.14705983140291962,0.14299910903981908,0.06133061476252485,0.19401086286066754
EOS-3-04493,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccnc(F)c5)no4)n23)cc1,VEXQXJRHVBWJSQ-UHFFFAOYSA-N,3,1,0.387,14,357,429.415,2.931,5,0.428,0.8,0.997,0.3163508327050922,0.2617709546981016,0.427429579878007,0.3232643410321431,0.3322039270783359
EOS-3-04494,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)cnn4)n23)cc1,UPVDHQLDXRQKEJ-UHFFFAOYSA-N,3,1,0.442,89,926,453.466,2.367,5,0.394,0.79,1.0,0.3685148379137825,0.1510520183674868,0.2011085600712768,0.10805462271263107,0.20718250976629432
EOS-3-04495,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)cn1,CXWUPMYPXKVYCU-UHFFFAOYSA-N,3,1,0.447,90,646,413.268,3.444,4,0.554,0.89,1.0,0.2658402439860188,0.34228291412514567,0.5982197930230965,0.6479165238845864,0.4635648687547118
EOS-3-04496,CNC(=O)c1ccc(-c2nnc3cncc(-c4noc(-c5cccc(C(F)F)n5)n4)n23)cc1,QMZODQUKZLXTOL-UHFFFAOYSA-N,3,1,0.355,74,333,448.393,3.201,5,0.435,0.77,1.0,0.3006476595161401,0.23122986772668083,0.3684805702145158,0.26584881091083545,0.291551727092043
EOS-3-04497,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(Cl)c(Cl)cc4OC)n23)cc1,XUTBAHAVYSQHQE-UHFFFAOYSA-N,3,1,0.484,90,12,459.293,3.44,4,0.441,0.81,0.969,0.7460592145843328,0.5304896854225207,0.5259235144952368,0.4061065040093208,0.5521447296278528
EOS-3-04498,CONC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(C)nn5)c4)n23)cc1,LMIBJDNBVQACJV-UHFFFAOYSA-N,3,1,0.352,62,124,438.451,2.91,5,0.416,0.79,1.0,0.17208381879240628,0.05822082105407443,0.2874631622232883,0.18161023918854088,0.17484451031457748
EOS-3-04499,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nc5)n34)cn2)cn1,YINUITSQUVNUKO-UHFFFAOYSA-N,3,1,0.306,82,204,464.489,3.211,6,0.407,0.85,1.0,0.25490884791995067,0.10285449934891372,0.1252398738948667,0.11519943800973202,0.14955066479336576
EOS-3-04500,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)n2)cn1C,STNHDZUZSHQREC-UHFFFAOYSA-N,3,1,0.276,33,776,451.494,2.849,6,0.437,0.78,0.789,0.08468405181276129,0.07329860873140977,0.03151771640052087,0.033076896717154414,0.05564431841546158
EOS-3-04501,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cncn5C)nc4)n23)cc1F,QAGCAFRSNWCEAY-UHFFFAOYSA-N,3,1,0.406,74,788,444.43,2.878,5,0.444,0.73,1.0,0.6854310876567747,0.47164347885682956,0.44226749366047563,0.30481118497704063,0.47603831128778007
EOS-3-04502,O=C(c1ccccc1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc1,ZBLKULIVTFJWKK-UHFFFAOYSA-N,3,1,0.333,52,776,461.485,3.372,6,0.386,0.88,0.996,0.16672092385717224,0.10942533068329792,0.13091117812350078,0.1676632855870057,0.14368017956274415
EOS-3-04503,Fc1cccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)c1,MRRFRMPUFJTINO-UHFFFAOYSA-N,3,1,0.375,3,498,448.425,3.301,6,0.4,0.8,1.0,0.32109690905352617,0.4275923514495237,0.4422760605852923,0.5305153861969707,0.4303701768213282
EOS-3-04504,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5nnns5)c4)n23)cc1,NOLWNOITWZOIRL-UHFFFAOYSA-N,3,1,0.38,74,740,429.469,2.05,5,0.45,0.73,1.0,0.13670241929956822,0.08025495168254404,0.08387876087999452,0.0554622712631074,0.08907460078130354
EOS-3-04505,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnsn5)n4)n23)cc1,JCHSHIIARXUBDM-UHFFFAOYSA-N,3,1,0.333,52,423,441.48,2.659,6,0.441,0.76,1.0,0.10180933452128024,0.02295079158385306,0.025906380645603456,0.05011651017750668,0.05019575423206086
EOS-3-04506,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Br)c(F)c4)n23)nc1,QLUUPNXCKMYJFN-UHFFFAOYSA-N,3,1,0.371,63,505,468.29,2.966,5,0.453,0.74,0.985,0.1338839010348845,0.1966965937906929,0.17099581934068947,0.26265334795421835,0.1910574155301213
EOS-3-04507,COC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,BIHCKAVOKNFYQA-UHFFFAOYSA-N,3,1,0.803,48,948,426.835,3.992,4,0.434,0.86,1.0,0.9542783222534439,0.9118720444109383,0.8383421287094784,0.7557398396271674,0.8650580837502571
EOS-3-04508,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)ncn5)nc4)n23)cc1,AHMKKAIAYINFEK-UHFFFAOYSA-N,3,1,0.563,89,398,452.478,2.89,5,0.418,0.78,0.999,0.5575783016928243,0.1433417860324858,0.3165650058255089,0.15189157699952024,0.2923441676375848
EOS-3-04509,COCCOc1ccc(-c2nnc3cncc(Cc4cccc(C(F)(F)F)n4)n23)cc1,RGLXGDLCZNZSNS-UHFFFAOYSA-N,3,1,0.461,66,225,429.402,3.821,4,0.416,0.84,1.0,0.6455434857103695,0.6641337125625385,0.935037009115208,0.807381262422041,0.7630238674525393
EOS-3-04510,COc1cc(Cl)nc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,ZHQZXAIERWJPPJ-UHFFFAOYSA-N,3,1,0.538,63,536,465.901,2.757,5,0.395,0.85,1.0,0.5632239051470084,0.33716846000959494,0.054665547255157286,0.06604242341169214,0.2552750839558632
EOS-3-04511,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5nncs5)c4)n23)nc1,DLPXJDAZFNFQFA-UHFFFAOYSA-N,3,1,0.264,33,432,430.457,1.783,6,0.447,0.76,0.921,0.020637721883352753,0.017193818107052294,0.009603522719484614,0.014358165992735247,0.015448307175656227
EOS-3-04512,COCc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(F)n1,YTSDXBAUTQFCHF-UHFFFAOYSA-N,3,1,0.292,63,108,419.42,2.426,5,0.478,0.85,1.0,0.2389315331368652,0.19670516071550956,0.12524844081968337,0.14927866493043657,0.1775409499006237
EOS-3-04513,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cc5F)cn4)n23)cn1,KMSVOLQZNZOBSQ-UHFFFAOYSA-N,3,1,0.361,82,155,446.833,3.202,5,0.449,0.71,1.0,0.24716434788568295,0.3080237817832911,0.4493694743334932,0.4936861764101158,0.37456094510314575
EOS-3-04514,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncccc4-c4cccc(F)c4)n23)cc1,NJTWCGFDSSJZFF-UHFFFAOYSA-N,3,1,0.551,1,347,454.465,3.931,5,0.418,0.84,1.0,0.697236310054143,0.44976355287506,0.6548214652868206,0.560011308340758,0.5904581591391954
EOS-3-04515,O=C(NCC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)cc1,WTPXNMBJJDXCRU-UHFFFAOYSA-N,3,1,0.413,0,829,483.532,2.466,6,0.448,0.92,1.0,0.0387225001713385,0.0005739839627167432,0.001961825783016928,0.006168185868000823,0.011856623946268248
EOS-3-04516,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccc(F)cc5)nc(C)n4C)n23)cc1,ZUYOJWBSFXQLGO-UHFFFAOYSA-N,3,1,0.365,62,124,441.47,3.666,5,0.46,0.78,1.0,0.21964738537454595,0.28234870810773766,0.364813926392982,0.31425193612500857,0.29526548900006855
EOS-3-04517,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(C)nn5)cn4)n23)cc1,LIBXMCWWJWGSRH-UHFFFAOYSA-N,3,1,0.388,89,310,438.451,3.104,5,0.444,0.74,1.0,0.4740850524295799,0.2158008361318621,0.287471729148105,0.1396922760605853,0.279262473442533
EOS-3-04518,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(F)cn5)nc4)n23)cc1,DFUSPBPTJPPXRP-UHFFFAOYSA-N,3,1,0.53,89,863,457.429,2.116,5,0.407,0.75,1.0,0.8138578575834419,0.4231204166952231,0.1807021451579741,0.10806318963744774,0.3814359022685217
EOS-3-04519,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)s4)n23)cn1,VTTGJJZRMQNPRI-UHFFFAOYSA-N,3,1,0.264,33,432,442.508,3.208,6,0.448,0.78,0.995,0.08258515523267768,0.03640086354602152,0.042397710917688985,0.06286409430470838,0.05606195600027414
EOS-3-04520,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5Cl)cn4)n23)cn1,VXGOMCWSLXIYPU-UHFFFAOYSA-N,3,1,0.372,96,204,459.872,4.067,5,0.435,0.85,1.0,0.2983003221163731,0.37615653485025013,0.6434959906791858,0.6650675073675554,0.4957550887533411
EOS-3-04521,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)nc5)cc4)n23)cc1,NZQGVGYLTURAIZ-UHFFFAOYSA-N,3,1,0.35,62,341,451.465,3.947,6,0.407,0.88,1.0,0.2524929751216503,0.20606880954012746,0.4670773079295456,0.5036580768967172,0.35732429237201013
EOS-3-04522,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(C)n5)cc4)n23)cc1,FFVHKOIWTJJJDH-UHFFFAOYSA-N,3,1,0.518,89,637,451.49,3.495,5,0.421,0.81,1.0,0.577136591049277,0.2263124528819135,0.4565399904050442,0.2803868823247207,0.38509397916523885
EOS-3-04523,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncs5)cc4)n23)cc1,ITTIDCXJLIRNSA-UHFFFAOYSA-N,3,1,0.386,62,916,452.543,4.398,6,0.413,0.87,1.0,0.18631348091289152,0.08701425536289494,0.30549653896237405,0.355193269823864,0.23350438626550613
EOS-3-04524,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cc1F,IXCQOUPNCCDDES-UHFFFAOYSA-N,3,1,0.539,89,788,456.441,2.721,5,0.414,0.8,1.0,0.5887276403262285,0.42312898362003976,0.3763792748954835,0.25953498732095126,0.4119427215406758
EOS-3-04525,CCNCc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1Cl,FJSXQLCLQMGMAY-UHFFFAOYSA-N,3,1,0.553,90,636,443.338,4.224,4,0.439,0.83,1.0,0.7066599273524775,0.5878966486190117,0.7037471729148105,0.7350849838941813,0.6833471831951202
EOS-3-04526,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(C)nn5)cc4)n23)c(C)c1,JRJBGMFCVWHMKN-UHFFFAOYSA-N,3,1,0.396,62,740,450.506,3.211,5,0.438,0.75,1.0,0.21150023987389488,0.090055513672812,0.2329432526900144,0.13064560345418408,0.16628615242272635
EOS-3-04527,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(C)nn5)cn4)n23)cc1F,YERQTAVDFYSUKW-UHFFFAOYSA-N,3,1,0.362,72,310,456.441,3.243,5,0.428,0.78,1.0,0.5945959838256459,0.41874271811390584,0.4163354122404222,0.27442430265231993,0.4260246042080735
EOS-3-04528,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)nc1,XYDJASPQLYNCLW-UHFFFAOYSA-N,3,1,0.252,25,373,435.455,2.444,6,0.414,0.78,1.0,0.04170379000753889,0.03640943047083819,0.12525700774450002,0.13065417037900076,0.08350609965046946
EOS-3-04529,O=C(NCc1cncc2nnc(-c3cncc(-c4ccc(F)cc4)c3)n12)c1ccc(F)cn1,CJSHUPWCPQYSKZ-UHFFFAOYSA-N,3,1,0.444,14,137,443.417,3.457,5,0.447,0.76,1.0,0.25754746076348434,0.31317250359810844,0.6015865944760469,0.6334127201699677,0.45142981975190183
EOS-3-04530,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(F)c4)n23)c(F)c1,PERTWNANDFCAHX-UHFFFAOYSA-N,3,1,0.449,23,646,413.815,3.673,4,0.554,0.85,1.0,0.3870193955177849,0.5122849701871016,0.903159481872387,0.8962288396957029,0.6746731718182442
EOS-3-04531,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)no1,WZPMWFMTAJYPQN-UHFFFAOYSA-N,3,1,0.511,89,863,469.465,2.411,6,0.377,0.87,1.0,0.35234905078473033,0.1256682201357001,0.019147076965252554,0.017313755054485642,0.12861952573504215
EOS-3-04532,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnn(C)c5)n4)n23)cn1,PWFCJKRSPLMKIR-UHFFFAOYSA-N,3,1,0.384,85,290,443.446,2.071,5,0.442,0.72,1.0,0.11756390925913235,0.22100952642039615,0.16165787129052156,0.1059214584332808,0.1515381913508327
EOS-3-04533,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncn5C)c4)n23)cc1,PJJLGDWOBVWDQN-UHFFFAOYSA-N,3,1,0.5,89,707,440.467,2.525,5,0.432,0.77,1.0,0.47642382290453017,0.14706839832773627,0.320325885820026,0.15989308477828798,0.2759277979576451
EOS-3-04534,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)cn1,MSZZHPVKEZXRTA-UHFFFAOYSA-N,3,1,0.36,82,204,452.453,3.342,6,0.407,0.82,0.995,0.22523302035501336,0.21580940305667878,0.21179151531766158,0.29217497087245564,0.23625222740045232
EOS-3-04535,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnc(C)c5)cc4)n23)cn1,NBZYIJIOHKKZEK-UHFFFAOYSA-N,3,1,0.333,82,204,422.452,2.978,5,0.474,0.77,1.0,0.13135665821396753,0.06949489411280926,0.279941402234254,0.20679699814954425,0.17189748817764375
EOS-3-04536,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cnc(F)cn5)nc(C)n4)n23)cc1,ZAXQEXJKHJGSAP-UHFFFAOYSA-N,3,1,0.388,85,357,455.457,2.436,5,0.429,0.72,1.0,0.20307038585429374,0.18784696045507504,0.18071071208279077,0.11281783291069837,0.17111147282571448
EOS-3-04537,O=C(O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(Cl)c5)nn4)n23)cc1,PQPRHRHJGSCMFJ-UHFFFAOYSA-N,3,1,0.396,22,216,430.815,3.057,5,0.427,0.83,1.0,0.18077068055650744,0.10286306627373039,0.3459495579466795,0.3362774998286615,0.2414652011513947
EOS-3-04538,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)nc5C)cn4)n23)cc1,JRYNDLKFDWLXEK-UHFFFAOYSA-N,3,1,0.33,74,333,438.495,3.312,5,0.452,0.73,1.0,0.05733842779795764,0.0252552943595367,0.22544719347543005,0.11520800493454869,0.10581223014186827
EOS-3-04539,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)cc1F,WNHNDMZVVMZEDC-UHFFFAOYSA-N,3,1,0.3,74,768,453.441,2.737,6,0.431,0.77,0.997,0.17480810088410664,0.19671372764032624,0.22545576040024673,0.28929648413405523,0.2215685182646837
EOS-3-04540,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5)nc4F)n23)cc1,HQMHQHGKXURCKV-UHFFFAOYSA-N,3,1,0.479,89,731,456.441,2.721,5,0.414,0.79,1.0,0.5688695086011926,0.3808769104242341,0.312744157357275,0.20967548488794463,0.3680415153176616
EOS-3-04541,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)c4)n23)c(F)c1,JDZZJWCPRKNNDA-UHFFFAOYSA-N,3,1,0.345,62,246,457.444,3.814,6,0.434,0.8,0.998,0.0460129531903228,0.21581796998149544,0.5462442601603729,0.6536049619628538,0.3654200363237612
EOS-3-04542,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnn5)nc4)n23)cc1F,XOTKETQDGXOBFN-UHFFFAOYSA-N,3,1,0.379,14,886,454.469,2.927,5,0.42,0.78,1.0,0.2549174148447673,0.2210180933452128,0.33129154958536083,0.2744328695771366,0.27041498183811935
EOS-3-04543,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ccncc5)c(F)c4)n23)cc1,BJNXCFJKTJAJRD-UHFFFAOYSA-N,3,1,0.406,52,916,465.492,3.87,6,0.409,0.84,1.0,0.1667294907819889,0.1705589061750394,0.37638784182030016,0.4318672469330409,0.2863858714275923
EOS-3-04544,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(C)n5)cn4)n23)nc1,OGZOLXBUHXCZRE-UHFFFAOYSA-N,3,1,0.416,33,53,452.478,2.89,5,0.418,0.77,0.999,0.35711226098279764,0.13989788225618532,0.21840518127612912,0.10593002535809745,0.20533633746830238
EOS-3-04545,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1,ZCYUREHMPRXEPQ-UHFFFAOYSA-N,3,1,0.456,89,943,465.477,2.51,6,0.385,0.85,1.0,0.43840381056815847,0.17056747309985607,0.10309437324378042,0.10167226372421356,0.20343448015900215
EOS-3-04546,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)cc1,QPTSETAAMGGEKF-UHFFFAOYSA-N,3,1,0.446,89,943,465.477,2.51,6,0.385,0.85,1.0,0.4246624631622233,0.1588479199506545,0.07689671715441025,0.07914981838119389,0.1848892296621205
EOS-3-04547,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)cc2)n1,BPFZGXJWANSJGF-UHFFFAOYSA-N,3,1,0.312,25,598,432.451,3.106,6,0.418,0.82,1.0,0.06091083544650812,0.046852511822356245,0.14928723185525325,0.20968405181276129,0.11668365773421972
EOS-3-04548,O=C(c1ccc(-c2cncc3nnc(-c4ccccn4)n23)nc1)N1CCc2cc(F)ccc21,FTQPHHUHWZUOMZ-UHFFFAOYSA-N,3,1,0.437,52,776,437.438,3.59,6,0.429,0.84,1.0,0.14468679322870262,0.10943389760811459,0.21491844287574532,0.3014615173737235,0.19262516277157152
EOS-3-04549,CC1(NC(=O)c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)nc2)CC1,AQVGPPPOFCOWGJ-UHFFFAOYSA-N,3,1,0.573,63,683,450.449,3.368,5,0.464,0.78,0.997,0.47901103419916385,0.1290178877390172,0.31657357275032555,0.41278870536632173,0.33434780001370706
EOS-3-04550,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)nc1,IJYULXFNFSCACZ-UHFFFAOYSA-N,3,1,0.359,25,791,450.441,3.245,6,0.402,0.79,1.0,0.18931190459872524,0.3230501679117264,0.2687444314988692,0.3938386676718525,0.29373629292029335
EOS-3-04551,CCn1cncc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,FDRTYOPUJVMEFD-UHFFFAOYSA-N,3,1,0.308,52,423,450.506,3.629,6,0.424,0.82,1.0,0.16142656432047153,0.022959358508669727,0.10574155301213077,0.12211294633678295,0.10306010554451374
EOS-3-04552,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)cn4)n23)cc1,CJJOWJIOVYFDCB-UHFFFAOYSA-N,3,1,0.462,89,408,441.455,1.92,5,0.424,0.78,1.0,0.3480313206771297,0.1665667192104722,0.18412034815982456,0.07541463916112673,0.1935332568021383
EOS-3-04553,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCNCC5)nn4)n23)cn1,SKMASVVYOQWNHW-UHFFFAOYSA-N,3,1,0.299,63,546,470.497,0.581,6,0.428,0.8,0.998,0.04318586800082243,0.00242443972311699,0.00012850387225001714,0.0001713384963333562,0.011477537523130698
EOS-3-04554,O=C(NCCO)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccncc5)cn4)n23)cc1,OXVHXVBBDLGGRA-UHFFFAOYSA-N,3,1,0.349,74,517,438.451,2.032,5,0.412,0.81,1.0,0.14750531149338633,0.04305736412857241,0.24357480638749915,0.17326605441710644,0.15185088410664108
EOS-3-04555,CNC(=O)c1cccc(COc2cncc3nnc(-c4cc(F)cc(-c5cnc(C)cn5)c4)n23)c1,HITQKCHKBOFQPW-UHFFFAOYSA-N,3,1,0.458,89,731,469.48,3.634,5,0.405,0.87,1.0,0.582782194503461,0.27726852169145366,0.5823452813378109,0.4254077856212734,0.46695094578849977
EOS-3-04556,COc1cc(Cl)cnc1Oc1cncc2nnc(-c3ccc(C(=O)N4CCCC4)cn3)n12,UEIIBNXZLZHPJB-UHFFFAOYSA-N,3,1,0.34,63,108,451.874,3.272,5,0.455,0.73,1.0,0.2983088890411898,0.17940853951065724,0.0037951476937838394,0.011967993968884929,0.12337014255362896
EOS-3-04557,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncon5)n4)n23)nc1,HIMWYTWEJCFCAP-UHFFFAOYSA-N,3,1,0.394,33,53,456.426,1.497,6,0.378,0.82,1.0,0.2603574121033514,0.09006408059762867,0.011231238434651498,0.01153964772805154,0.09329809471592078
EOS-3-04558,Cn1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(CC(F)(F)F)n1,FARUQDDTCIKHAC-UHFFFAOYSA-N,3,1,0.33,66,306,459.407,3.328,5,0.463,0.77,0.998,0.1392125282708519,0.2669710780618189,0.6578712905215544,0.662368926050305,0.43160595572613253
EOS-3-04559,CCc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC)cc5)n34)nc2)o1,RIJYYJQUHGEWHB-UHFFFAOYSA-N,3,1,0.347,62,139,424.464,4.035,5,0.457,0.88,1.0,0.1748166678089233,0.09007264752244534,0.43494277294222466,0.27444143650195324,0.24356838119388663
EOS-3-04560,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncccn5)n4)n23)cc1,WQZBXEDBEXCDLS-UHFFFAOYSA-N,3,1,0.474,89,770,465.477,2.51,6,0.385,0.84,1.0,0.4041189774518539,0.15106058529230348,0.039493523404838596,0.04089849907477212,0.15889289630594203
EOS-3-04561,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cccc(-c4cnco4)c3)n12,VNQAEUXGSZSFJQ-UHFFFAOYSA-N,3,1,0.344,62,341,452.474,4.014,6,0.415,0.91,1.0,0.254925981769584,0.062007401823041604,0.32386402576930984,0.3048197519018573,0.23640429031594817
EOS-3-04562,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cc4F)n23)cc1,QYGMLGHEFGNTKW-UHFFFAOYSA-N,3,1,0.466,89,451,443.442,3.483,5,0.447,0.75,1.0,0.712451168528545,0.4894712494003153,0.562641354259475,0.40001542046467,0.5411447981632513
EOS-3-04563,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)c(F)c1F,FEZGGJWMKAPWPZ-UHFFFAOYSA-N,3,1,0.324,0,129,455.852,3.774,5,0.478,0.78,0.949,0.44530018504557606,0.5351757932972381,0.8225532862723597,0.8866338839010349,0.6724157871290521
EOS-3-04564,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)nc4)n23)cn1,UMMBJNOZWCZDAL-UHFFFAOYSA-N,3,1,0.36,82,478,430.378,2.687,5,0.435,0.75,0.992,0.24717291481049963,0.21582653690631212,0.5427318209855391,0.5170824480844356,0.3807034301966966
EOS-3-04565,Cc1c(F)cccc1-c1cnc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nc1,SMTOEMMICNGLSZ-UHFFFAOYSA-N,3,1,0.551,89,943,455.453,3.374,5,0.417,0.83,1.0,0.7638698512781852,0.38088547734905076,0.5529607292166404,0.435114111438558,0.5332075423206086
EOS-3-04566,CC(=O)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(C(F)(F)F)nc5)n4)n23)cc1,MPOMSGDHFREBMO-UHFFFAOYSA-N,3,1,0.349,61,542,451.372,3.05,5,0.383,0.85,0.999,0.07408676581454321,0.26177952162291823,0.652182852443287,0.46946747995339594,0.3643791549585361
EOS-3-04567,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cn1,BJLRFLZCESIYOU-UHFFFAOYSA-N,3,1,0.573,89,731,426.44,2.265,5,0.441,0.78,1.0,0.5916318278390789,0.13603419916386814,0.23629292029333152,0.12653347954218352,0.27262310670961554
EOS-3-04568,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6COC6)cc5)n34)cc2)n1,XJFCEZXTSFVGJX-UHFFFAOYSA-N,3,1,0.324,61,269,453.466,1.777,6,0.427,0.77,1.0,0.22225173051881297,0.062015968747858266,0.11977417586183263,0.10168083064903022,0.12643067644438352
EOS-3-04569,NC(=O)c1ccc(-c2nnc3cncc(-c4nncnc4-c4cccc(F)c4)n23)c(Cl)c1,AOHXUNSZXHQCIU-UHFFFAOYSA-N,3,1,0.37,96,730,446.833,3.202,5,0.449,0.73,0.876,0.21965595229936263,0.3277362757864437,0.522436776094853,0.627501542046467,0.42433263655678155
EOS-3-04570,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccn4)n23)cc1,WAEPIPMWCPNZJE-UHFFFAOYSA-N,3,1,0.522,89,926,442.443,1.315,5,0.412,0.81,1.0,0.3937101637996025,0.1588564868754712,0.06630799808100885,0.02443286957713659,0.1608268795833048
EOS-3-04571,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4Cn4ccnn4)n23)cc1,AHPYOYOBPGOQLK-UHFFFAOYSA-N,3,1,0.429,14,740,444.886,2.774,5,0.43,0.73,1.0,0.18932047152354192,0.2415701459803989,0.41993352066342265,0.4223065588376396,0.3182826742512508
EOS-3-04572,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(OC)c(C)c4)n23)cc1,DBVQSHKINMIIOW-UHFFFAOYSA-N,3,1,0.349,62,124,440.463,3.79,5,0.443,0.82,1.0,0.32889281063669384,0.11863477486121582,0.4387893221849085,0.23018470289904736,0.27912540264546637
EOS-3-04573,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)cn4)n23)cn1)N1CCCCC1,AZEVTQQAJUVSHI-UHFFFAOYSA-N,3,1,0.344,52,821,463.505,3.331,6,0.399,0.82,0.99,0.012739017202385032,0.00457473785210061,0.001302172572133507,0.004908847919950655,0.005881193886642451
EOS-3-04574,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,KDCQSGWXTODVDV-UHFFFAOYSA-N,3,1,0.324,62,246,437.507,4.172,5,0.456,0.83,0.999,0.03873106709615516,0.018761565348502502,0.4565485573298609,0.24759269412651636,0.1904084709752587
EOS-3-04575,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnn5)nc4)n23)cc1F,HJSYQLBYHQQMRL-UHFFFAOYSA-N,3,1,0.312,74,413,443.402,2.329,5,0.434,0.78,1.0,0.4838170790213145,0.35204920841614695,0.30903467891165787,0.2006887807552601,0.3363974367760948
EOS-3-04576,CCCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F,XVMDVZVZOHCGOA-UHFFFAOYSA-N,3,1,0.695,48,378,453.905,4.345,4,0.429,0.87,1.0,0.7339798505928312,0.5168425741895689,0.5982283599479131,0.5824909190596943,0.607885425947502
EOS-3-04577,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4)n23)cc1,MNCNCWMIDUUQAF-UHFFFAOYSA-N,3,1,0.433,66,364,413.363,2.551,4,0.552,0.8,1.0,0.3870279624426016,0.32305873483654307,0.7113203344527449,0.4351226783633747,0.464132427523816
EOS-3-04578,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ncc(F)cc4C(F)(F)F)n23)cc1,HKWQXQNUKCZZCN-UHFFFAOYSA-N,3,1,0.43,66,264,470.43,4.022,5,0.431,0.86,1.0,0.3958433280789528,0.4631879240627784,0.8013330135014735,0.7733705708998698,0.6084337091357687
EOS-3-04579,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1F,OFNILDJUFFAJBV-UHFFFAOYSA-N,3,1,0.495,90,306,471.855,3.027,5,0.441,0.8,1.0,0.5946045507504626,0.44977211979987664,0.28748029607292164,0.43513124528819136,0.4417470529778631
EOS-3-04580,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cc(F)ccn5)n4)n23)cc1,FFJWZXWZOSARGW-UHFFFAOYSA-N,3,1,0.362,62,423,451.465,3.947,6,0.435,0.8,1.0,0.1614351312452882,0.19209615516414227,0.3313001165101775,0.41590706599958877,0.27518461722979914
EOS-3-04581,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)cn1,WBYFSUVJTXGVQV-UHFFFAOYSA-N,3,1,0.333,98,882,435.455,2.444,6,0.414,0.77,1.0,0.05383455554794051,0.02526386128435337,0.14300767596463573,0.11985127818518265,0.08548934274552807
EOS-3-04582,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)c(F)c(F)c5)no4)n23)cc1,NCICRSFDGLVQAI-UHFFFAOYSA-N,3,1,0.375,45,837,451.368,3.285,5,0.418,0.78,1.0,0.3707936399150161,0.3664759098074155,0.6850027414159413,0.6303800287848674,0.5131630799808101
EOS-3-04583,CNC(=O)c1ccc(-c2nnc3cncc(-c4sc(C)nc4-c4ccc(C)nc4)n23)cc1,OXMJKUJPQGPCKJ-UHFFFAOYSA-N,3,1,0.355,62,124,441.52,3.953,5,0.453,0.79,1.0,0.06275272428209171,0.0802635186073607,0.19062264409567542,0.1080717565622644,0.11042766088684806
EOS-3-04584,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cc1,SVNHJKCNPNHKEZ-UHFFFAOYSA-N,3,1,0.465,89,731,456.441,2.721,5,0.414,0.78,1.0,0.5525923514495237,0.37616510177506685,0.4239685422520732,0.2893050510588719,0.4105077616338839
EOS-3-04585,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cnc(F)cn5)n4)n23)cc1,ZLMMHNPUFXAHBQ-UHFFFAOYSA-N,3,1,0.352,74,423,470.443,3.481,6,0.419,0.84,1.0,0.22524158727983004,0.22632101980673017,0.3090432458364745,0.3909516140086355,0.28788936673291754
EOS-3-04586,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccnc(F)c4)n23)cn1,JXIIAMUITZHBSF-UHFFFAOYSA-N,3,1,0.265,82,432,453.441,2.737,6,0.403,0.8,0.916,0.15336508806798713,0.14707696525255295,0.07690528407922692,0.13970084298540197,0.12926204509629224
EOS-3-04587,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cc2)nn1,YTKIDKOOSRXRKC-UHFFFAOYSA-N,3,1,0.338,9,764,434.467,3.049,6,0.42,0.78,1.0,0.06091940237132479,0.027491261736687,0.25077959015831675,0.23899150161058186,0.1445454389692276
EOS-3-04588,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cc(-c5nnc(C)o5)nn4C)n23)cc1,UBROYSSODBSUMW-UHFFFAOYSA-N,3,1,0.406,89,926,431.416,2.035,5,0.443,0.79,1.0,0.43605647316839147,0.15511274073058734,0.040941333698855456,0.01102563223905147,0.16078404495922144
EOS-3-04589,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)c(Cl)c4)n23)cc1,CLOGXSTXQKOAME-UHFFFAOYSA-N,3,1,0.578,43,402,461.873,2.313,5,0.406,0.82,1.0,0.6086200397505311,0.4497806867246933,0.2578558700568844,0.2658573778356521,0.3955284935919402
EOS-3-04590,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnc(Cl)c5)n4)n23)cc1,JSFNHWCXNLAADN-UHFFFAOYSA-N,3,1,0.36,29,849,443.858,2.718,5,0.42,0.78,1.0,0.2087245562332945,0.20160544171064354,0.22546432732506339,0.20380714138852718,0.20990036666438217
EOS-3-04591,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)cc1,JNHTUVLBDNYRLL-UHFFFAOYSA-N,3,1,0.512,79,347,436.475,3.792,5,0.435,0.82,1.0,0.6369251593448015,0.2823572750325543,0.4843739291343979,0.3621239120005483,0.44144506887807555
EOS-3-04592,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)cnc5F)nn4)n23)cc1,RLYDOKQOACDDOL-UHFFFAOYSA-N,3,1,0.324,74,997,459.42,2.604,6,0.402,0.8,1.0,0.06822698923994243,0.17057604002467275,0.21492700980056198,0.3142605030498252,0.1919976355287506
EOS-3-04593,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)nc1,PRTFBPODOFJZPC-UHFFFAOYSA-N,3,1,0.248,98,866,436.443,1.839,6,0.406,0.76,1.0,0.06432047152354191,0.06609382496059214,0.04567027619765609,0.05688438078267425,0.0582422383661161
EOS-3-04594,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cn1,VOCFFZLXTUOLDU-UHFFFAOYSA-N,3,1,0.286,98,866,436.443,1.839,6,0.406,0.76,1.0,0.07409533273935988,0.0504848879446234,0.039502090329655265,0.05259235144952368,0.054168665615790555
EOS-3-04595,Cc1cc(-c2ccc(F)cn2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,SLVQRARFAOBKGO-UHFFFAOYSA-N,3,1,0.435,62,3,424.439,4.067,5,0.469,0.82,1.0,0.3058820505791241,0.23608731409773148,0.7496744568569667,0.6797597834281406,0.4928509012404907
EOS-3-04596,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)no1,YGUMRFDIUZEZMC-UHFFFAOYSA-N,3,1,0.317,33,647,452.478,3.028,6,0.417,0.81,1.0,0.07218490850524296,0.07678534713179357,0.05641319991775752,0.0644832430950586,0.06746667466246316
EOS-3-04597,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)nc1,AFHCTPHBJOUDBP-UHFFFAOYSA-N,3,1,0.257,33,432,425.416,1.116,6,0.438,0.76,0.998,0.0127475841272017,0.012970324172435063,0.017416558152285655,0.026180522239736825,0.017328747172914813
EOS-3-04598,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)c(F)c5F)cn4)n23)cn1,WSJPMEITGILBAB-UHFFFAOYSA-N,3,1,0.337,96,204,457.444,3.862,5,0.44,0.8,1.0,0.26036597902816805,0.29304023027893905,0.7037557398396271,0.6217617024192996,0.4697309128915084
EOS-3-04599,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4nn[nH]n4)nc3)n12,YKBXUXJYINQTHX-UHFFFAOYSA-N,3,1,0.35,93,774,435.426,3.84,6,0.448,0.78,0.939,0.2631502295935851,0.4000239873894867,0.5762456308683435,0.6592162977177712,0.47465903639229656
EOS-3-04600,O=C(NCCO)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1,ZCFNACKDPGSKOQ-UHFFFAOYSA-N,3,1,0.366,0,862,460.469,2.212,5,0.389,0.88,1.0,0.33853060105544514,0.21096909053526147,0.2435833733123158,0.24184428757453225,0.2587318381193887
EOS-3-04601,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(C)nn4)n23)nc1,DGLMHAZXFKEVPP-UHFFFAOYSA-N,3,1,0.32,74,523,423.44,2.373,5,0.467,0.73,1.0,0.12844390377630047,0.03940785415667192,0.09543554245767939,0.05830649030224111,0.08039844767322323
EOS-3-04602,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)cc1,DPBMPFZAMHNQOU-UHFFFAOYSA-N,3,1,0.351,52,582,422.448,4.006,6,0.46,0.89,1.0,0.1367109862243849,0.03941642108148859,0.30905181276129123,0.3684977040641491,0.21341923103282845
EOS-3-04603,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4F)n23)cc1,YOJKZJZDANWNRT-UHFFFAOYSA-N,3,1,0.37,62,341,469.455,4.086,6,0.417,0.89,1.0,0.31385785758344187,0.25652799671030085,0.512276403262285,0.5854550750462614,0.4170293331505722
EOS-3-04604,Cn1cnc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NCC#N)cc5)n34)c2)c1,GVSLWRVGJTYEOI-UHFFFAOYSA-N,3,1,0.363,62,124,452.453,3.251,5,0.41,0.85,1.0,0.28184325954355427,0.27212836680145297,0.6770612021108903,0.5793982592008773,0.4526077719141937
EOS-3-04605,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cccnc5F)n4)n23)cc1,QOFLFSLEGWWUEU-UHFFFAOYSA-N,3,1,0.42,14,319,457.444,3.477,5,0.406,0.8,1.0,0.2252501542046467,0.2669796449866356,0.5886334041532452,0.5036666438215338,0.3961324617915153
EOS-3-04606,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)nc1,GQTKCDPOYHISQT-UHFFFAOYSA-N,3,1,0.301,76,541,432.451,3.106,6,0.418,0.8,0.709,0.06616236035912548,0.02749982866150367,0.13707079706668493,0.17881742169830717,0.10238760194640531
EOS-3-04607,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ncccn5)cn4)n23)cc1,GQJVLCGEQCULSK-UHFFFAOYSA-N,3,1,0.544,89,770,442.414,2.46,5,0.424,0.76,1.0,0.7096326502638612,0.332319580563361,0.36848913713933246,0.2714772805153862,0.4204796621204852
EOS-3-04608,CNC(=O)c1ccc(-c2nnc3cncc(CCCc4ccc(C(F)F)cn4)n23)cn1,IYQGAOLIGIYNPR-UHFFFAOYSA-N,3,1,0.456,66,455,423.427,3.054,4,0.491,0.76,1.0,0.29281749023370574,0.30803234870810775,0.3238725926941265,0.25671646905626755,0.29535972517305187
EOS-3-04609,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnn5)c(F)c4)n23)cc1,ZHJMXLHEEDEYMQ-UHFFFAOYSA-N,3,1,0.378,52,916,467.468,2.66,6,0.404,0.8,0.973,0.16413371256253856,0.15106915221712014,0.15839387293537113,0.21286238091974505,0.17161477965869373
EOS-3-04610,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cc4F)n23)c(F)c1,VTACJQFBJZPBFD-UHFFFAOYSA-N,3,1,0.371,96,3,442.429,4.158,5,0.452,0.81,1.0,0.2928260571585224,0.3230673017613597,0.8689860187786992,0.8361232951819615,0.5802506682201356
EOS-3-04611,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)NC5CC5F)cc4)n23)cn1,VJFLGVLOCYBASR-UHFFFAOYSA-N,3,1,0.375,63,334,431.431,1.716,5,0.478,0.67,0.99,0.18932903844835858,0.15107771914193682,0.380003084092934,0.262661914879035,0.2457679391405661
EOS-3-04612,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)s4)n23)cc1,XGGFKRYGMOKPLD-UHFFFAOYSA-N,3,1,0.615,66,12,416.413,3.124,4,0.519,0.82,1.0,0.5549910903981906,0.3570437255842643,0.4199420875882393,0.23592454252621478,0.3919753615242273
EOS-3-04613,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)nc1,OKIWIZPPWQHIMM-UHFFFAOYSA-N,3,1,0.421,33,457,440.826,2.398,5,0.454,0.71,0.883,0.4109296826811048,0.3323281474881776,0.10845726817901447,0.18680179562744156,0.25962922349393464
EOS-3-04614,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)nc4F)n23)cc1,XNSGKKTVVUUITQ-UHFFFAOYSA-N,3,1,0.349,74,333,440.442,3.199,5,0.418,0.78,1.0,0.28741176067438834,0.2669882119114523,0.3055051058871907,0.23593310945103146,0.2739595469810157
EOS-3-04615,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nc4)n23)cc1,XTCASRMNEOQPDS-UHFFFAOYSA-N,3,1,0.478,89,656,464.489,3.115,6,0.39,0.86,1.0,0.4764323898293469,0.15512130765540402,0.1430162428894524,0.13970940991021863,0.22856983757110547
EOS-3-04616,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(CO)c(F)c4)n23)cc1Cl,OXFLHVNAXXSAKB-UHFFFAOYSA-N,3,1,0.585,48,17,427.823,2.754,4,0.489,0.79,1.0,0.8901463230758687,0.597226029744363,0.864788225618532,0.8240696319649099,0.7940575526009185
EOS-3-04617,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)c1,QNLBSGVDHUSIDM-UHFFFAOYSA-N,3,1,0.293,10,356,438.39,1.82,6,0.4,0.78,0.992,0.0010622986772668083,0.09008121444726201,0.04722945651428963,0.1265420464670002,0.06622875402645467
EOS-3-04618,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnn4CCCF)n23)c(F)n1,VVOOVZISVSHTCZ-UHFFFAOYSA-N,3,1,0.302,63,66,425.403,1.836,5,0.449,0.75,0.582,0.14198821191145228,0.17522788020012336,0.003503872250017134,0.010100404358851347,0.08270509218011103
EOS-3-04619,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4F)n23)cc1,MZYORADDFGDDNQ-UHFFFAOYSA-N,3,1,0.36,62,3,442.429,4.158,5,0.452,0.78,1.0,0.27606915221712014,0.33717702693441165,0.8071071208279076,0.7686244945514358,0.5472444486327188
EOS-3-04620,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c(F)c1,XRWRUGBGXIGNPD-UHFFFAOYSA-N,3,1,0.354,42,219,450.441,3.245,6,0.402,0.8,1.0,0.21150880679871154,0.31832979233774245,0.3684977040641491,0.43187581385785756,0.33255302926461516
EOS-3-04621,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnco5)n4)n23)cc1,ZABQZOANDYNWKY-UHFFFAOYSA-N,3,1,0.456,89,731,428.412,2.175,5,0.432,0.77,1.0,0.5269943800973202,0.20607737646494415,0.14598039887601946,0.06449181001987526,0.23588599136453978
EOS-3-04622,NCCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(OC(F)F)cn4)n23)cn1,TZTCXIIGAUJPNO-UHFFFAOYSA-N,3,1,0.356,68,127,427.375,0.933,4,0.44,0.8,0.969,0.40004968816393666,0.3183383592625591,0.1370793639915016,0.10388253032691386,0.23983748543622782
EOS-3-04623,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5)n4)n23)cc1,QJANASSNDZQWJV-UHFFFAOYSA-N,3,1,0.359,98,973,439.418,2.369,6,0.411,0.77,1.0,0.03719758755397163,0.18785552737989172,0.13381536563635119,0.20069734768007677,0.13989145706257283
EOS-3-04624,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(OC)cc5F)cn4)n23)cc1,IUZVJYCXZXOTRP-UHFFFAOYSA-N,3,1,0.402,62,3,454.465,4.028,5,0.431,0.85,1.0,0.4812641354259475,0.5079501062298677,0.7520731958056336,0.6098194092248647,0.5877767116715783
EOS-3-04625,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(F)n5)cc4)n23)nn1,WIXMLSGRYQTOOX-UHFFFAOYSA-N,3,1,0.308,96,586,428.387,2.674,5,0.422,0.79,1.0,0.5113511753820849,0.40925913234185457,0.2615225138784182,0.2595435542457679,0.3604190939620313
EOS-3-04626,FC(F)c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(-c5nn[nH]n5)c4)n23)cn1,RKSMLXOUFNNNPD-UHFFFAOYSA-N,3,1,0.456,13,6,441.789,3.75,5,0.438,0.81,0.974,0.7607257898704681,0.8696970735384826,0.7749725858405867,0.7662000548283189,0.7928988760194641
EOS-3-04627,CC1CCCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)s1,UQSHUEVUCPUHLK-UHFFFAOYSA-N,3,1,0.284,63,759,447.524,3.028,5,0.514,0.67,0.892,0.009046672606401206,0.022967925433486396,0.001970392707833596,0.002458707422383661,0.009110924542526214
EOS-3-04628,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nn5)n4)n23)cc1,LOYCFJPCPKHMDH-UHFFFAOYSA-N,3,1,0.337,29,849,470.884,2.646,6,0.41,0.81,0.969,0.2417757521759989,0.2060859433897608,0.039510657254471934,0.08783668014529504,0.14380225824138168
EOS-3-04629,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cscn5)c4)n23)cc1,UDFXFXCHTIBRSG-UHFFFAOYSA-N,3,1,0.511,89,656,443.492,3.248,5,0.429,0.8,1.0,0.5602511822356246,0.23609588102254814,0.36482249331779865,0.21838804742649578,0.3448894010006168
EOS-3-04630,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)c(Cl)c1,QMYIEKVZQOKYQN-UHFFFAOYSA-N,3,1,0.518,90,708,473.718,3.541,4,0.476,0.77,1.0,0.5688780755260092,0.5972345966691797,0.5563532314440408,0.4968559385922829,0.5548304605578782
EOS-3-04631,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)nc1,ITOMTEXGBNTPHX-UHFFFAOYSA-N,3,1,0.267,98,342,433.439,2.501,6,0.412,0.79,0.995,0.12279830032211637,0.0582293879788911,0.07481495442395998,0.12655061339181686,0.09559831402919608
EOS-3-04632,O=C(O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cn4)n23)nc1,DMPCPXVDJXWFMM-UHFFFAOYSA-N,3,1,0.324,85,60,444.842,2.981,5,0.434,0.73,0.982,0.20873312315811116,0.1220187101637996,0.27231683914741966,0.24465423891439927,0.21193072784593242
EOS-3-04633,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)cc1)N1CCCCC1,YGLOSSVFIVDYRF-UHFFFAOYSA-N,3,1,0.374,52,800,462.517,3.936,6,0.399,0.86,1.0,0.04465937906928929,0.005996847371667466,0.004326297032417243,0.025392365156603387,0.020093722157494345
EOS-3-04634,CC1CN(C)CCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)nc1,XNWJZXGOYMFVGK-UHFFFAOYSA-N,3,1,0.287,63,686,457.498,1.123,5,0.482,0.66,0.604,0.02591494757042012,0.0008138578575834418,0.004094990062367213,0.002467274347200329,0.008322767459392776
EOS-3-04635,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)nc1,MLVNEYLSDNTIDX-UHFFFAOYSA-N,3,1,0.3,25,213,432.451,3.106,6,0.418,0.79,1.0,0.117572476183949,0.0994534301966966,0.22547289424988007,0.28341100678500447,0.18147745185388253
EOS-3-04636,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccn5)nc4)n23)cc1,RBRDEPZLGWJPKM-UHFFFAOYSA-N,3,1,0.535,89,398,463.501,3.72,6,0.392,0.88,1.0,0.45486087314097734,0.13240182304160097,0.2435919402371325,0.23594167637584812,0.2666990781988897
EOS-3-04637,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)n1C,LNAPZOCWFJOZST-UHFFFAOYSA-N,3,1,0.267,10,195,433.479,3.748,6,0.421,0.84,0.997,0.009740593516551299,0.01568603933931876,0.29459084367075594,0.2714858474402029,0.1478758309917072
EOS-3-04638,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4C)n23)cn1,HQLHAAUKHKGQNJ-UHFFFAOYSA-N,3,1,0.344,82,204,422.452,2.978,5,0.474,0.77,0.995,0.1946919333835926,0.06610239188540881,0.1584024398601878,0.09960763484339662,0.12970109999314647
EOS-3-04639,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)no1,HUOJMTDDIGUCBJ-UHFFFAOYSA-N,3,1,0.302,98,213,437.427,2.402,6,0.404,0.8,1.0,0.08469261873757795,0.11864334178603249,0.042406277842505655,0.048780069906106505,0.07363057706805565
EOS-3-04640,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nc4)n23)cc1,VHTFVLHUCKDKMM-UHFFFAOYSA-N,3,1,0.518,89,731,424.424,2.321,5,0.439,0.79,1.0,0.6972448769789596,0.22102666027002946,0.2615310808032349,0.162497429922555,0.33557501199369477
EOS-3-04641,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cn(C)cn5)ccc4Cl)n23)cc1,NZCLHTRGFLZIDK-UHFFFAOYSA-N,3,1,0.381,62,124,443.898,3.872,5,0.455,0.79,1.0,0.24988006305256666,0.3131810705229251,0.6372935371119183,0.5665735727503255,0.44173206085943384
EOS-3-04642,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cc(C#N)n4)n23)cc1F,NZOZTUYXFOJOJL-UHFFFAOYSA-N,3,1,0.336,74,768,451.425,2.681,5,0.441,0.73,0.987,0.1947005003084093,0.21583510383112878,0.6047734905078473,0.5139126859022686,0.3823054451374135
EOS-3-04643,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nn5)n34)c(C)c2)nn1,PVPHPEMUYWQDEK-UHFFFAOYSA-N,3,1,0.265,52,295,464.493,2.609,6,0.416,0.77,1.0,0.09929922554999657,0.04306593105338907,0.021751422109519566,0.033085463641971076,0.049300510588719065
EOS-3-04644,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCCC6)nc5)n34)cn2)nn1,OBIIBJHXFJMZIX-UHFFFAOYSA-N,3,1,0.365,52,169,464.493,2.645,6,0.394,0.82,1.0,0.033205400589404424,0.00919231032828456,0.0015934480159002125,0.0031097937084504147,0.011775238160509903
EOS-3-04645,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)cn1,VNTJMTXGDTUQRZ-UHFFFAOYSA-N,3,1,0.441,89,412,424.424,2.843,5,0.455,0.8,1.0,0.5473408265369063,0.18343499417449113,0.2983517236652731,0.16250599684737166,0.29790838530601055
EOS-3-04646,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccnc4-c4cccnc4)n23)cc1,FEVVQEYLQVJWQH-UHFFFAOYSA-N,3,1,0.506,89,230,423.436,2.926,5,0.446,0.81,1.0,0.5946131176752792,0.18786409430470838,0.4057381262422041,0.2921835377972723,0.37009971900486605
EOS-3-04647,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccsc5)cn4)n23)cc1,GMGBPSITFHUZJB-UHFFFAOYSA-N,3,1,0.402,14,357,440.532,4.255,5,0.427,0.81,1.0,0.12548831471455008,0.054125830991707216,0.3611301487218148,0.27445000342676995,0.2037985744637105
EOS-3-04648,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(C)c(F)nn5)cn4)n23)cc1,PQZMBIXLJRFXOM-UHFFFAOYSA-N,3,1,0.369,74,139,440.442,3.117,5,0.457,0.7,1.0,0.19470906723322595,0.21584367075594543,0.4057466931670208,0.2862466588993215,0.27563652251387843
EOS-3-04649,COCCc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nn1,YDWYMVXOHIXQMY-UHFFFAOYSA-N,3,1,0.355,63,306,448.462,1.787,5,0.433,0.73,1.0,0.15071790829963677,0.13990644918100198,0.020954698101569462,0.04470221369337263,0.08907031731889521
EOS-3-04650,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)nc1,GVIWYVOEXKYFNC-UHFFFAOYSA-N,3,1,0.417,33,53,465.477,2.51,6,0.385,0.84,1.0,0.2818518264683709,0.12202727708861627,0.07482352134877664,0.08254232060859434,0.14031123637858955
EOS-3-04651,Cc1cccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c2)n1,MNRLBEHPGOKTAU-UHFFFAOYSA-N,3,1,0.36,62,3,424.439,4.067,5,0.469,0.83,1.0,0.257556027688301,0.20161400863546022,0.6986669864985265,0.6536135288876704,0.4528626379274896
EOS-3-04652,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cc4F)n23)cc1,WAGDBLRGRPDMHX-UHFFFAOYSA-N,3,1,0.369,62,3,459.872,4.067,5,0.435,0.82,1.0,0.35473065588376396,0.3664844767322322,0.7347851415255979,0.7081077376464944,0.5410270029470221
EOS-3-04653,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)nc1,GJYCJNFSGLKFAV-UHFFFAOYSA-N,3,1,0.303,98,654,434.427,1.896,6,0.404,0.78,0.989,0.04602152011513947,0.030292646151737372,0.021759989034336236,0.03970769652525529,0.034445462956617094
EOS-3-04654,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cn4)n23)cn1,YYHXKNRBHZSCTE-UHFFFAOYSA-N,3,1,0.365,82,155,430.378,2.687,5,0.435,0.75,0.998,0.23067301761359743,0.2312384346514975,0.5427403879103557,0.5234219724487698,0.3820184531560551
EOS-3-04655,CCc1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,ITQACMLSVRBGHO-UHFFFAOYSA-N,3,1,0.446,63,66,416.445,2.01,5,0.486,0.86,1.0,0.3084349941744911,0.15886505380028784,0.012816119525735041,0.010108971283668014,0.1225562846960455
EOS-3-04656,Cc1ncc(-c2cc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccc2Cl)cn1,FOYLJQCUMWJLLP-UHFFFAOYSA-N,3,1,0.432,14,319,455.909,3.9,5,0.43,0.81,1.0,0.22525872112946338,0.24157871290521554,0.6373021040367349,0.5760999931464601,0.4200598828044685
EOS-3-04657,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)nc5)ccc4Cl)n23)cn1,UXAJDSYNQNDZJT-UHFFFAOYSA-N,3,1,0.349,82,204,460.86,3.462,5,0.409,0.84,1.0,0.3289013775615105,0.38089404427386747,0.5762541977931601,0.5534747447056405,0.45988109108354464
EOS-3-04658,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)nn5)cc4OC)n23)c(C)c1,GJBXODQKLOZZGL-UHFFFAOYSA-N,3,1,0.305,61,124,454.494,2.93,5,0.434,0.8,1.0,0.18933760537317523,0.0837759577821945,0.3090603796861079,0.1418682749640189,0.18101055445137412
EOS-3-04659,O=C(NCCO)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)cc1,MPUKKWKYYHGSBI-UHFFFAOYSA-N,3,1,0.365,14,357,452.478,1.956,5,0.383,0.8,1.0,0.1446953601535193,0.03641799739565486,0.2723254060722363,0.1703961346035227,0.15595872455623327
EOS-3-04660,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnn5)ncn4)n23)cc1,GTQXYOGGUTTYJS-UHFFFAOYSA-N,3,1,0.359,85,357,424.428,1.384,5,0.443,0.72,1.0,0.16673805770680555,0.03030121307655404,0.10310294016859708,0.05987423754369132,0.090004112123912
EOS-3-04661,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cn5)cc4F)n23)cc1F,BZRNRJSEWIOPFI-UHFFFAOYSA-N,3,1,0.35,96,802,461.407,3.692,5,0.438,0.76,1.0,0.3663217051607155,0.40468439448975396,0.8092831197313413,0.7807381262422041,0.5902568364060037
EOS-3-04662,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccccc4OC)n23)cc1,WHKGFTQNERQKOQ-UHFFFAOYSA-N,3,1,0.376,62,3,442.504,3.95,5,0.443,0.85,1.0,0.29283462408333905,0.15887362072510453,0.3313086834349942,0.20969261873757797,0.24817738674525394
EOS-3-04663,NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)cc(F)c5F)c4)n23)cc1,UIWHAPMCTSJXTP-UHFFFAOYSA-N,3,1,0.412,45,246,435.369,3.16,5,0.437,0.77,1.0,0.06276129120690836,0.22103522719484614,0.8573949695017477,0.8321225412925776,0.4933285072990199
EOS-3-04664,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)nc1,RVPALWUCLJZOKS-UHFFFAOYSA-N,3,1,0.37,33,53,453.466,2.238,6,0.398,0.78,0.993,0.23619868412034817,0.08027208553217736,0.07908984990747721,0.07734219724487698,0.11822570420121992
EOS-3-04665,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5(C)CC5)cc4F)n23)cc1F,FVCIFRUUENXQHV-UHFFFAOYSA-N,3,1,0.356,0,999,462.46,3.378,5,0.474,0.77,1.0,0.40213145089438695,0.34720889589472964,0.3763964087451169,0.4159156329244055,0.38541309711465976
EOS-3-04666,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cnc(C)n5C)n4)n23)cc1,VHFINABCPGWLSY-UHFFFAOYSA-N,3,1,0.333,29,849,426.444,1.712,5,0.46,0.71,1.0,0.14751387841820301,0.04307449797820574,0.03152628332533754,0.010117538208484681,0.05805804948255774
EOS-3-04667,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5nnc(C)s5)c4)n23)cn1,FGZVHJODHZADJV-UHFFFAOYSA-N,3,1,0.39,14,81,460.498,3.103,5,0.429,0.79,1.0,0.14752244534301967,0.2617880885477349,0.155172709204304,0.12443458296209993,0.17222945651428964
EOS-3-04668,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)cn1,QMHHRYORNDZVJF-UHFFFAOYSA-N,3,1,0.321,52,582,450.462,3.379,5,0.403,0.84,1.0,0.14199677883626893,0.13991501610581866,0.2764375299842369,0.1758104310876568,0.18353993900349533
EOS-3-04669,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cn1,QBMZKBPXMQIONG-UHFFFAOYSA-N,3,1,0.293,30,301,432.451,3.106,6,0.418,0.81,1.0,0.04912274689877322,0.036426564320471526,0.14598896580083615,0.2212836680145295,0.1132054862586526
EOS-3-04670,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5F)ns4)n23)cc1,KWAOHAWMNYTIKK-UHFFFAOYSA-N,3,1,0.388,62,837,449.446,3.615,5,0.45,0.75,1.0,0.20307895277911042,0.287574532245905,0.44937804125830993,0.4444006579398259,0.3461080460557878
EOS-3-04671,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(F)ccn5)cn4)n23)cc1,ABEJSLBQTPPMAZ-UHFFFAOYSA-N,3,1,0.402,52,916,465.492,3.87,6,0.409,0.83,1.0,0.1921132890137756,0.1834435610993078,0.35742067027619767,0.42231512576245633,0.2888231615379343
EOS-3-04672,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)cc1,VSPQUYXTGZSHKY-UHFFFAOYSA-N,3,1,0.478,89,731,443.492,3.248,5,0.429,0.78,1.0,0.4640960180933452,0.23610444794736482,0.26499211842916864,0.15990165170310466,0.28127355904324586
EOS-3-04673,CONC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccn5)n4)n23)cc1,QFDQSRRCHMZTSC-UHFFFAOYSA-N,3,1,0.316,74,139,424.424,2.602,5,0.428,0.84,1.0,0.23894010006168187,0.04308306490302241,0.23295181961483105,0.1442670139126859,0.1648104996230553
EOS-3-04674,CCn1nc(C)cc1-c1ccc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cc1,MFJIZUKWGWOFSW-UHFFFAOYSA-N,3,1,0.385,62,319,437.507,3.673,5,0.436,0.79,1.0,0.15602083476115414,0.07330717565622644,0.2945994105955726,0.19495750805290932,0.17972123226646564
EOS-3-04675,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,ISKXZJSPNWJLTA-UHFFFAOYSA-N,3,1,0.345,61,269,467.493,2.55,6,0.404,0.88,1.0,0.19471763415804264,0.0870228222877116,0.07264752244534302,0.07346138030292647,0.10696233979850593
EOS-3-04676,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)cn1,HCOGRKLZYSKZFE-UHFFFAOYSA-N,3,1,0.304,50,974,426.404,0.511,6,0.42,0.82,1.0,0.02944452059488726,0.030309780001370707,0.002373038174216983,0.002021794256733603,0.016037283256802138
EOS-3-04677,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)nc1)N1CCOCC1,LBPHUZPGANMLDO-UHFFFAOYSA-N,3,1,0.375,82,800,465.477,2.178,6,0.393,0.83,1.0,0.02945308751970393,0.0008224247824001096,0.0043348639572339115,0.010571585223768077,0.011295490370776507
EOS-3-04678,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5cccnc5F)c4)n23)cc1,ANMLTOZZRUBRDJ-UHFFFAOYSA-N,3,1,0.386,14,357,439.454,3.338,5,0.422,0.76,1.0,0.25756459461311765,0.21097765746007813,0.6076691110958811,0.4936947433349325,0.39247652662600235
EOS-3-04679,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4F)n23)cc1,OBCAHZKTTQSBLY-UHFFFAOYSA-N,3,1,0.359,62,302,450.477,4.552,6,0.425,0.89,1.0,0.2471814817353163,0.2617966554725516,0.54951682544034,0.6246401891576999,0.420783787951477
EOS-3-04680,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5cccnc5F)cnn4C)n23)cc1F,OAIABHDMMPPVOQ-UHFFFAOYSA-N,3,1,0.341,74,768,446.421,2.892,5,0.426,0.76,1.0,0.15337365499280378,0.22632958673154685,0.5122849701871016,0.46326502638612843,0.33881330957439515
EOS-3-04681,CONC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)nc1,SXKXJLWXTYURQL-UHFFFAOYSA-N,3,1,0.418,68,806,446.349,1.865,4,0.441,0.72,1.0,0.4838256459461312,0.2980433143718731,0.7011513946953601,0.44123089575765884,0.48106281269275575
EOS-3-04682,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ncnn5C)nc4)n23)cc1,XIBKEMQMQBEGRR-UHFFFAOYSA-N,3,1,0.389,74,740,439.483,2.127,5,0.431,0.78,1.0,0.16952230827222262,0.039424988006305256,0.07691385100404359,0.03971626345007196,0.08139435268316085
EOS-3-04683,O=C(c1ccc(-c2cncc3nnc(-c4cccc(C(F)F)n4)n23)cc1)N1CCCCCC1,FFBFINCEHNMMEC-UHFFFAOYSA-N,3,1,0.38,0,825,448.477,4.807,5,0.448,0.9,0.996,0.05734699472277431,0.07679391405661024,0.011813789322184909,0.10808032348708108,0.06350875539716264
EOS-3-04684,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5nccnc5Cl)ncn4)n23)cc1,IJGCFSJITBOCKM-UHFFFAOYSA-N,3,1,0.4,85,357,443.858,2.381,5,0.437,0.71,1.0,0.20308751970392708,0.16657528613528888,0.18728154341717498,0.18681036255225825,0.1859386779521623
EOS-3-04685,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)c4)n23)cc1,AMORDVWOQLPTHC-UHFFFAOYSA-N,3,1,0.318,62,124,432.447,3.169,5,0.423,0.79,1.0,0.1777208553217737,0.0768024809814269,0.5886419710780618,0.506913508327051,0.3375197039270783
EOS-3-04686,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5nccc(C)n5)cc4OC)n23)cc1,JOWQUIMQLPRXMT-UHFFFAOYSA-N,3,1,0.33,62,124,451.49,3.592,5,0.435,0.78,1.0,0.38020869028853405,0.1060499623055308,0.38765334795421835,0.20381570831334384,0.26943192721540676
EOS-3-04687,Cn1nnnc1-c1ccc(O)c(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c1,BFTXTQKDAPSEIQ-UHFFFAOYSA-N,3,1,0.286,42,213,448.45,2.811,6,0.432,0.76,1.0,0.12549688163936673,0.0733157425810431,0.23296038653964773,0.2504540470152834,0.17055676444383525
EOS-3-04688,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cn1,GEPWJKZTNGZDCT-UHFFFAOYSA-N,3,1,0.33,50,974,425.416,1.116,6,0.438,0.79,1.0,0.011933726269618259,0.01720238503186896,0.008746830237817834,0.012798985676101706,0.01267048180385169
EOS-3-04689,COc1nccnc1-c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(F)cn1,QSWMYFKQMLWTSJ-UHFFFAOYSA-N,3,1,0.402,14,357,456.441,2.481,5,0.412,0.77,0.942,0.44769035706942634,0.3080409156329244,0.29101843602220545,0.1868189294770749,0.3083921595504078
EOS-3-04690,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)cc2)c1,RZXYSADUUGMJKH-UHFFFAOYSA-N,3,1,0.37,93,74,435.426,3.84,6,0.448,0.78,1.0,0.25493454869440063,0.3615841957370982,0.5393735864574053,0.6393752998423686,0.4488169076828181
EOS-3-04691,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(C)nn(C)c4-c4ccc(F)cc4)n23)cc1F,ZJDAZSTXQXDIAW-UHFFFAOYSA-N,3,1,0.353,61,648,459.46,3.805,5,0.442,0.78,1.0,0.1420053457610856,0.28236584195737097,0.5495253923651566,0.5234305393735864,0.3743317798642999
EOS-3-04692,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5nnn(C)n5)c4F)n23)cc1,TUQBMLIAOAOWOQ-UHFFFAOYSA-N,3,1,0.413,74,784,444.434,1.466,5,0.431,0.74,1.0,0.17209238571722293,0.23124700157631417,0.07265608937015969,0.05135871427592351,0.13183854773490508
EOS-3-04693,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)cc4)n23)c(F)c1,CBRNYWAUZIXKDX-UHFFFAOYSA-N,3,1,0.35,62,3,442.429,4.158,5,0.423,0.85,1.0,0.3084435610993078,0.36159276266191487,0.8603676924131314,0.8221163731067096,0.5881300973202659
EOS-3-04694,CCCn1nc(C2CC2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)c(F)c3)n12,SNKZKSIUBSZRDL-UHFFFAOYSA-N,3,1,0.319,63,792,420.452,2.836,5,0.515,0.8,1.0,0.17482523473373998,0.19210472208895896,0.0031611952573504217,0.006742169830717566,0.09420833047769173
EOS-3-04695,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ccccc5)n4)n23)cc1,RZVJCXTYPIARRL-UHFFFAOYSA-N,3,1,0.327,62,302,422.452,3.136,6,0.45,0.87,1.0,0.16674662463162224,0.112492289767665,0.08135151805907752,0.1418768418888356,0.12561681858680007
EOS-3-04696,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cc5F)nc4)n23)cc1,IAVBHIDDHWVDHM-UHFFFAOYSA-N,3,1,0.366,62,341,469.455,4.086,6,0.417,0.88,1.0,0.290050373517922,0.31834692618737576,0.5325543143033377,0.6188832156808992,0.43995870742238363
EOS-3-04697,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnn5)cn4)n23)cc1F,MRNCFBINWHLGFE-UHFFFAOYSA-N,3,1,0.359,85,60,468.456,2.055,6,0.397,0.79,1.0,0.1947262010828593,0.2210437941196628,0.08627749982866151,0.13735350558563497,0.15985025015420465
EOS-3-04698,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)cc4Cl)n23)c(Cl)c1,UAPYRTJGJSTXNQ-UHFFFAOYSA-N,3,1,0.414,23,129,432.698,4.778,4,0.506,0.81,1.0,0.3617298334589816,0.4941659241998492,0.9103128640943047,0.9458484682338428,0.6780142724967446
EOS-3-04699,Fc1cc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)ccc1Br,QXPJYJUNJSXACA-UHFFFAOYSA-N,3,1,0.386,22,681,436.248,3.941,5,0.429,0.79,1.0,0.08259372215749435,0.3371855938592283,0.5982369268727298,0.69976355287506,0.42944494894112806
EOS-3-04700,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nc5)cn4)n23)cc1F,QUZKOOAXZAWEIW-UHFFFAOYSA-N,3,1,0.398,14,357,457.444,3.477,5,0.406,0.8,1.0,0.3111250085669248,0.29805188129668975,0.7037643067644438,0.6365482146528683,0.4873723528202316
EOS-3-04701,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cn1,BCEHTBADXLITND-UHFFFAOYSA-N,3,1,0.573,36,728,454.281,3.263,5,0.398,0.82,1.0,0.6116270303611816,0.7961071893633062,0.37640497566993353,0.5069220752518676,0.5727653176615722
EOS-3-04702,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)nc1,HOYVXRKSYNFEKL-UHFFFAOYSA-N,3,1,0.37,62,341,465.492,4.255,6,0.417,0.9,1.0,0.2603745459529847,0.23611301487218148,0.3839438695086012,0.422323692687273,0.3256887807552601
EOS-3-04703,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)c1,DELXOCQHBDTWES-UHFFFAOYSA-N,3,1,0.333,25,791,432.451,3.106,6,0.418,0.8,1.0,0.08470118566239462,0.05823795490370776,0.1551812761291207,0.23302892193818106,0.13278733465835102
EOS-3-04704,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)cn2)cn1,ODMPMHQINLVJRF-UHFFFAOYSA-N,3,1,0.305,42,967,432.451,3.106,6,0.418,0.8,1.0,0.03873963402097183,0.039433554931121925,0.27994996915907067,0.2536152422726338,0.15293460009594956
EOS-3-04705,COc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,NTULWESFCMWARU-UHFFFAOYSA-N,3,1,0.644,0,378,463.925,3.967,5,0.425,0.86,1.0,0.679468507984374,0.5034439037763004,0.43879788910972517,0.4412394626824755,0.5157374408882187
EOS-3-04706,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(F)cn5)s4)n23)cc1F,JEMFSYRDASDNAU-UHFFFAOYSA-N,3,1,0.365,74,274,450.434,3.01,5,0.448,0.71,1.0,0.19756185319717634,0.24658179699814955,0.3385648687547118,0.3172417928860256,0.27498757795901585
EOS-3-04707,Cn1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c2)n1,JVVYRAKERVRFMB-UHFFFAOYSA-N,3,1,0.301,82,974,438.455,1.936,6,0.441,0.7,0.986,0.03575834418477143,0.027508395586320334,0.02818518264683709,0.03727468987732164,0.03218165307381262
EOS-3-04708,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)ccc4F)n23)cc1,HLKNAFHEIOHDKG-UHFFFAOYSA-N,3,1,0.5,43,637,459.441,3.227,5,0.411,0.81,1.0,0.6060156946062641,0.40003255431430335,0.4458142005345761,0.29219210472208895,0.43601363854430814
EOS-3-04709,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(C(F)(F)F)c4F)n23)cc1F,WEIFVERRURNXSM-UHFFFAOYSA-N,3,1,0.421,66,225,465.357,4.178,4,0.459,0.8,1.0,0.4790196011239805,0.629925981769584,0.9934120348159825,0.9812470015763142,0.7709011548214653
EOS-3-04710,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(OCCCF)nn4)n23)nc1,OGRTYARXRSYTPQ-UHFFFAOYSA-N,3,1,0.327,63,108,435.423,1.669,5,0.41,0.79,0.689,0.3084521280241245,0.12567678706051677,0.005842642724967446,0.009098074155301212,0.11226740799122747
EOS-3-04711,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4scnc4-c4ncc(F)cn4)n23)cc1,ZUBUYLREMPELPE-UHFFFAOYSA-N,3,1,0.366,74,582,458.482,3.403,6,0.43,0.79,1.0,0.22226029744362963,0.23125556850113083,0.06825269001439244,0.12655918031663355,0.1620819340689466
EOS-3-04712,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccc(F)c(Cl)c4)n23)cn1,XCLMRJRBBXPUSB-UHFFFAOYSA-N,3,1,0.35,82,336,462.876,3.406,5,0.439,0.8,1.0,0.22812007401823042,0.32307586868617644,0.4943543965458159,0.4937033102597492,0.384813412377493
EOS-3-04713,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc5c(F)cc(F)cc5n4)n23)cn1,WYZBTLJIRKREBK-UHFFFAOYSA-N,3,1,0.33,96,140,417.379,3.039,5,0.485,0.84,0.998,0.2818603933931876,0.3616013295867315,0.5495339592899733,0.5534833116304572,0.4366197484750874
EOS-3-04714,COc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCc5ccc(Cl)cc5)cn4)n23)cn1,BRWGZCMBJLNOJK-UHFFFAOYSA-N,3,1,0.408,62,776,471.908,3.84,5,0.401,0.89,1.0,0.55005654170379,0.4231375505448564,0.5360581865533548,0.44440922486464257,0.4884153759166609
EOS-3-04715,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)n4C)n23)cc1,MPKDNPDGPUVALY-UHFFFAOYSA-N,3,1,0.427,8,474,452.457,3.188,6,0.405,0.79,1.0,0.08260228908231101,0.2721369337262696,0.17100438626550613,0.25046261394010005,0.1940515557535467
EOS-3-04716,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nn4)n23)cn1,MIRGTSGETYSFGS-UHFFFAOYSA-N,3,1,0.473,68,127,431.338,1.329,4,0.497,0.68,1.0,0.47124940031526286,0.4631964909875951,0.272333972997053,0.10593859228291412,0.32817961414570623
EOS-3-04717,FC(F)(F)c1ncc(Cc2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)nn1,ODKVUOAEFIXYSV-UHFFFAOYSA-N,3,1,0.351,85,362,436.361,2.438,5,0.418,0.74,1.0,0.24178431910081558,0.26699677883626893,0.33857343567952847,0.2536238091974505,0.27524458570351584
EOS-3-04718,CNCc1cnc(C)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,QYCGAZQDBDJXAV-UHFFFAOYSA-N,3,1,0.33,0,862,413.485,2.773,5,0.505,0.93,1.0,0.20309608662874373,0.00715338222191762,0.1402234253992187,0.11985984510999931,0.11758318483996984
EOS-3-04719,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)c(F)c4)n23)cc1,SVIGUCZMADACNC-UHFFFAOYSA-N,3,1,0.402,62,3,442.429,4.158,5,0.452,0.78,1.0,0.27901617435405385,0.3230844356109931,0.8280189843053938,0.7828113220478377,0.5532327290795696
EOS-3-04720,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)nc(-c5ccc(Cl)nc5)n4)n23)cc1,DQEBDWWGLZXUFA-UHFFFAOYSA-N,3,1,0.36,29,849,457.885,3.027,5,0.408,0.79,1.0,0.27902474127887056,0.24158727983003223,0.15841100678500444,0.13289870468096773,0.20298043314371875
EOS-3-04721,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(C)nn5)ccc4C)n23)cc1,YTHZWSIKSFOPIH-UHFFFAOYSA-N,3,1,0.356,62,124,436.479,3.287,5,0.46,0.72,1.0,0.15338222191762044,0.054134397916523885,0.27234253992186963,0.16513604276608868,0.16124880063052566
EOS-3-04722,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,YXPCTSOGVPTLOA-UHFFFAOYSA-N,3,1,0.352,93,366,432.487,4.413,6,0.445,0.87,1.0,0.24719004866013297,0.09946199712151327,0.3127527242820917,0.43784696045507504,0.27431293262970324
EOS-3-04723,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ncn1,XHJATGBTECPLBT-UHFFFAOYSA-N,3,1,0.436,36,512,469.469,1.243,6,0.369,0.9,1.0,0.3058906175039408,0.09323384277979577,0.011239805359468166,0.010580152148584744,0.10523610444794738
EOS-3-04724,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)c1,GNPACWPSPUSHQA-UHFFFAOYSA-N,3,1,0.303,10,827,437.402,2.425,6,0.409,0.78,0.968,0.0021160304297169487,0.10944246453293126,0.0748320882735933,0.18682749640189159,0.09330451990953328
EOS-3-04725,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(F)c5)ccn4)n23)cc1,RKYPUJBXOBLJCN-UHFFFAOYSA-N,3,1,0.576,1,347,440.438,3.67,5,0.432,0.78,1.0,0.6283153999040504,0.33719416078404496,0.7192104722088959,0.6479250908094031,0.5831612809265986
EOS-3-04726,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnnc(F)c5)c4)n23)c(F)c1,ZUZFCVNMKQHJKS-UHFFFAOYSA-N,3,1,0.37,96,859,430.378,2.687,5,0.465,0.7,1.0,0.197570420121993,0.2312641354259475,0.685011308340758,0.6536220958124872,0.4418669899252964
EOS-3-04727,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)nc1,KCHDHHFLKWWAPJ-UHFFFAOYSA-N,3,1,0.346,10,654,451.429,2.64,6,0.398,0.77,1.0,0.17483380165855664,0.2772770886162703,0.14302480981426907,0.23303748886299774,0.20704329723802345
EOS-3-04728,CONC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nncn5C)cc4F)n23)cc1,LHOOOZMBXVVOKE-UHFFFAOYSA-N,3,1,0.398,61,740,458.457,2.608,5,0.389,0.77,1.0,0.3111335754917415,0.23612158179699816,0.4493866081831266,0.3264855047632102,0.3307818175587691
EOS-3-04729,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)cc1,DBJVSWVWCALKFP-UHFFFAOYSA-N,3,1,0.547,89,398,454.45,2.708,6,0.394,0.8,1.0,0.42467103008703994,0.10945103145774793,0.09544410938249606,0.09553834555547941,0.18127612912069085
EOS-3-04730,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCCC#N)cn4)n23)nc1,LITAJUDZJKWXLR-UHFFFAOYSA-N,3,1,0.269,33,432,450.466,2.292,5,0.389,0.8,1.0,0.1338924679597012,0.046861078747172914,0.10311150709341375,0.06960626413542595,0.08836782948392846
EOS-3-04731,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnn5)c4)n23)cn1,DCCGTKWTVUNAQR-UHFFFAOYSA-N,3,1,0.382,85,290,457.885,2.642,5,0.427,0.76,1.0,0.19473476800767597,0.2263381536563635,0.2983602905900898,0.2922006716469056,0.2529084709752587
EOS-3-04732,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(C)n5C)cc4F)n23)cc1,CRCRPTHGAXOOQJ-UHFFFAOYSA-N,3,1,0.378,62,124,441.47,3.666,5,0.46,0.75,1.0,0.2735847440202865,0.24159584675484888,0.5158573778356521,0.38425227880200125,0.3538225618531972
EOS-3-04733,CCCOc1ncccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,OXVZNJCFTMTASW-UHFFFAOYSA-N,3,1,0.33,63,108,415.457,2.929,5,0.494,0.9,1.0,0.13671955314920156,0.030318346926187376,0.02591494757042012,0.02720855321773696,0.055040350215886505
EOS-3-04734,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4F)n23)cc1F,CWUYCJXQAIUXLQ-UHFFFAOYSA-N,3,1,0.365,96,648,447.38,3.432,5,0.452,0.72,1.0,0.3502587211294634,0.3520577753409636,0.8071156877527242,0.7989000068535399,0.5770830477691729
EOS-3-04735,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(CN5CCCC5)nc4)n23)cc1,VHTOHEMZQACEJX-UHFFFAOYSA-N,3,1,0.379,63,334,414.473,1.867,5,0.512,0.81,1.0,0.05553080666164074,0.0016705503392502228,0.0016876841888835584,0.0035638407237338085,0.015613220478377082
EOS-3-04736,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc5cc(F)ccc5s4)n23)c(F)c1,XVTZBTZLOWYGIZ-UHFFFAOYSA-N,3,1,0.346,96,140,422.42,3.706,5,0.479,0.82,1.0,0.30589918442875746,0.3854859159756014,0.5462528270851895,0.5665821396751423,0.45105501679117266
EOS-3-04737,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)cc1,STJJXAZVXZQCCA-UHFFFAOYSA-N,3,1,0.325,98,882,436.443,1.839,6,0.406,0.77,1.0,0.13136522513878418,0.07332430950585977,0.0472380234391063,0.05136728120074018,0.0758237098211226
EOS-3-04738,O=C(NCc1cncc(F)c1)c1ccc(-c2nnc3cncc(COc4cccnc4)n23)nc1,FMJLWQXZXRRHNQ-UHFFFAOYSA-N,3,1,0.373,33,647,456.441,2.624,5,0.397,0.77,1.0,0.5448307175656226,0.3809026111986841,0.3648310602426153,0.27149441436501953,0.3905147008429854
EOS-3-04739,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)c(OC(F)F)nn4)n23)nc1,HFKKQGMYEPMXCW-UHFFFAOYSA-N,3,1,0.435,68,457,432.322,1.395,4,0.458,0.73,0.955,0.5771451579740936,0.5079586731546843,0.39490953327393596,0.2834195737098211,0.4408582345281337
EOS-3-04740,NC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5cccc(F)c5)n4)n23)cc1F,PMNOZZRQWPFCIS-UHFFFAOYSA-N,3,1,0.375,96,316,430.378,2.687,5,0.465,0.71,0.998,0.23620725104516482,0.25653656363511756,0.5087810979370845,0.569811870331026,0.3928341957370982
EOS-3-04741,CCOc1cc(Cl)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,QSMCYRONWKMKID-UHFFFAOYSA-N,3,1,0.39,0,862,433.899,4.403,5,0.487,0.82,1.0,0.4453087519703927,0.5079672400795011,0.44582276745939275,0.5036752107463505,0.47569349256390925
EOS-3-04742,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cc2)n1,KATRNKOWOKPBJW-UHFFFAOYSA-N,3,1,0.324,61,269,466.48,3.65,6,0.421,0.8,1.0,0.17484236858337332,0.2263467205811802,0.2543691316565006,0.32021451579740934,0.24394318415461588
EOS-3-04743,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)n2)nn1,YLMCUXFARZEBJF-UHFFFAOYSA-N,3,1,0.455,52,229,467.493,2.121,6,0.395,0.83,1.0,0.004797477897333973,0.0006853539853334248,0.004343430882050579,0.009106641080117881,0.004733225961208965
EOS-3-04744,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccn5C)c4)n23)cc1,ZOKHQQVDIQEBKD-UHFFFAOYSA-N,3,1,0.511,89,656,440.467,2.525,5,0.432,0.77,1.0,0.5136728120074018,0.15108628606675348,0.2799585360838873,0.13736207251045165,0.27051992666712354
EOS-3-04745,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnn(C)c5)n4)n23)cc1,OYYKOOROXOGQTE-UHFFFAOYSA-N,3,1,0.484,89,398,440.467,2.525,5,0.432,0.77,1.0,0.3289099444863272,0.17523644712494002,0.2723511068466863,0.13066273730381742,0.2267900589404427
EOS-3-04746,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCc6cc(F)ccc65)cc4)n23)nn1,QIBNVDDNIJGCBY-UHFFFAOYSA-N,3,1,0.48,62,124,451.465,3.899,6,0.413,0.88,1.0,0.13137379206360084,0.14335035295730245,0.25437769858131726,0.32022308272222605,0.21233123158111167
EOS-3-04747,Fc1cccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)nn2)c1,AXVYWIXUVKKAPU-UHFFFAOYSA-N,3,1,0.286,39,37,436.414,3.03,6,0.414,0.77,0.98,0.012756151052018367,0.08028065245699403,0.25078815708313346,0.36532794188198203,0.17728822561853197
EOS-3-04748,O=C(c1ccc(-c2nnc3cncc(-c4cnn(C5CC5F)c4)n23)cc1F)N1CCCC1,FXFGELYKHIGHJX-UHFFFAOYSA-N,3,1,0.347,78,792,435.438,3.313,6,0.491,0.69,0.995,0.052258241381673634,0.15888218764992118,0.03416489616887122,0.20382427523816052,0.11228240010965664
EOS-3-04749,Cc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)n2C)nn1C,OXAQIFUZWIQLHB-UHFFFAOYSA-N,3,1,0.275,8,890,437.471,2.686,6,0.45,0.8,0.81,0.0357669111095881,0.07333287643067644,0.03276848742375437,0.03520149407168802,0.04426744225892673
EOS-3-04750,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)nc1,LJEKRTKMMQQCNN-UHFFFAOYSA-N,3,1,0.444,90,457,414.878,2.882,4,0.521,0.82,0.999,0.5113597423069015,0.35705229250908094,0.18412891508464121,0.15441025289562058,0.3017378006990611
EOS-3-04751,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nn4)n23)cc1,KAZKWPWRCFBTQZ-UHFFFAOYSA-N,3,1,0.457,89,398,465.477,2.51,6,0.385,0.87,1.0,0.3236841203481598,0.13241038996641766,0.05642176684257419,0.06783291069837571,0.14508729696388184
EOS-3-04752,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnn5)ncn4)n23)c(F)c1,DNEYGJDWGANGMS-UHFFFAOYSA-N,3,1,0.369,85,60,442.418,1.523,5,0.429,0.7,1.0,0.1807792474813241,0.22635528750599684,0.19063121102049208,0.14681139058323625,0.1861442841477623
EOS-3-04753,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,RYAHIUGXPFDSKV-UHFFFAOYSA-N,3,1,0.573,36,728,437.826,2.748,5,0.413,0.79,1.0,0.6764872181481736,0.8383335617846618,0.3764135425947502,0.4632735933109451,0.5886269789596327
EOS-3-04754,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(F)c5)cn4)n23)cc1,QSDTXZKJZPCXMQ-UHFFFAOYSA-N,3,1,0.455,89,731,456.441,2.721,5,0.414,0.76,1.0,0.6116355972859983,0.40004112123912,0.41634397916523885,0.2893136179836886,0.4293335789185114
EOS-3-04755,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(O)C5)nn4)n23)c(F)c1,KTBTXKXIUBQHNV-UHFFFAOYSA-N,3,1,0.349,63,546,448.418,0.564,5,0.462,0.76,1.0,0.36852340483859913,0.3761736686998835,0.024844081968336647,0.034139195394421215,0.20092008772531011
EOS-3-04756,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cc2)nc1,UKZFBIOUPGLORD-UHFFFAOYSA-N,3,1,0.342,3,158,436.414,3.03,6,0.414,0.79,1.0,0.05384312247275718,0.1627116030429717,0.18729011034199164,0.26267048180385166,0.16662882941539303
EOS-3-04757,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncc(Cl)c5)cc4F)n23)cc1,NMJXWOOWAFKPEQ-UHFFFAOYSA-N,3,1,0.402,14,357,459.872,3.731,5,0.428,0.77,0.996,0.3571208279076143,0.3422914810499623,0.7192190391337125,0.7136848057021452,0.5330790384483586
EOS-3-04758,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnc5)cn4)n23)nc1,STYWUMSQHXAUKS-UHFFFAOYSA-N,3,1,0.368,85,647,422.452,2.594,5,0.463,0.76,1.0,0.13138235898841752,0.062024535672674935,0.22548146117469672,0.16514460969090536,0.14600824138167365
EOS-3-04759,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C4CCC(c5ncc(F)cn5)CC4)n23)cc1,LNRZVGSGUNPWRR-UHFFFAOYSA-N,3,1,0.417,63,334,457.513,4.054,6,0.485,0.78,1.0,0.28186896031800424,0.18787266122952506,0.018238982934685764,0.11282639983551504,0.15020175107943254
EOS-3-04760,CONC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4)n23)cc1,RBJLJGGLANTXJA-UHFFFAOYSA-N,3,1,0.36,62,3,440.438,3.951,5,0.416,0.84,1.0,0.3547392228085806,0.33233671441299434,0.7218833527516962,0.6479336577342197,0.5142232369268727
EOS-3-04761,N#Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)nn2)cn1,ZDIQROWCJRUTIQ-UHFFFAOYSA-N,3,1,0.302,74,997,466.44,2.337,6,0.416,0.8,1.0,0.034473305462271266,0.1705846069494894,0.2329689534644644,0.3142690699746419,0.18807398396271674
EOS-3-04762,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5)cnn4)n23)cc1,TUMJUCMWPHUTSD-UHFFFAOYSA-N,3,1,0.456,89,926,441.455,1.92,5,0.424,0.78,1.0,0.3708022068398328,0.18788122815434172,0.22919950654513055,0.10168939757384689,0.22239308477828798
EOS-3-04763,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccc5F)n4)n23)cc1,SDDXMILNCZKZHR-UHFFFAOYSA-N,3,1,0.385,62,3,424.439,4.019,5,0.471,0.83,1.0,0.20048317455966005,0.2721455006510863,0.657879857446371,0.6131176752792817,0.4359065519840998
EOS-3-04764,O=C(NOC1CC1)c1ccc(-c2nnc3cncc(C(F)(F)c4ccc(F)cc4)n23)cc1,WFDNBDVMHOSDEB-UHFFFAOYSA-N,3,1,0.468,0,646,439.397,3.894,5,0.461,0.85,0.998,0.5113683092317182,0.5722448769789596,0.9543554245767939,0.9341717497087245,0.743035090124049
EOS-3-04765,Cc1nc(-c2ccnc(F)c2)nnc1Cc1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,BAGBMNNOFWWSHS-UHFFFAOYSA-N,3,1,0.402,14,357,441.43,2.176,5,0.41,0.76,1.0,0.2333887327804811,0.17941710643547393,0.11377732849016517,0.10389109725173051,0.1576185662394627
EOS-3-04766,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,DHZUIPDTJVNZTA-UHFFFAOYSA-N,3,1,0.327,52,582,451.49,4.017,6,0.43,0.88,1.0,0.10440511274073058,0.06950346103762593,0.12798985676101707,0.1285638407237338,0.10761556781577686
EOS-3-04767,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,JFTXEGPDNCWMGT-UHFFFAOYSA-N,3,1,0.32,52,582,450.506,3.454,6,0.44,0.78,1.0,0.059137482009457884,0.022976492358303062,0.1492957987800699,0.14427558083750258,0.09392133849633336
EOS-3-04768,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccn5C)cc4)n23)cn1,YLOPZRFWRWBVLO-UHFFFAOYSA-N,3,1,0.43,1,204,425.452,3.344,5,0.464,0.84,1.0,0.597380234391063,0.29304879720375576,0.37642210951956684,0.2567250359810842,0.38089404427386747
EOS-3-04769,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)c(C(F)F)cc4OC)n23)cc1Cl,ZOJTVKOZIIAHEY-UHFFFAOYSA-N,3,1,0.375,66,999,458.856,4.121,4,0.483,0.78,0.995,0.6369337262696183,0.6299345486944007,0.7843105338907546,0.6536306627373039,0.6762023678980194
EOS-3-04770,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cnc(F)c(Cl)c5)n4)n23)cc1,IZMJXBNZSUWYBI-UHFFFAOYSA-N,3,1,0.356,29,849,461.848,2.857,5,0.405,0.79,0.7,0.3236926872729765,0.31835549311219247,0.34595812487149613,0.32649407168802685,0.328625094236173
EOS-3-04771,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c1,HVTKTOACMJZIET-UHFFFAOYSA-N,3,1,0.303,25,179,432.451,3.106,6,0.418,0.78,1.0,0.04913131382358989,0.05049345486944007,0.1710129531903228,0.22400795010622987,0.12366141799739566
EOS-3-04772,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)nc4)n23)nc1,VPUSSZUYEJNGAI-UHFFFAOYSA-N,3,1,0.287,70,957,432.451,3.106,6,0.418,0.78,1.0,0.06092796929614146,0.030326913851004042,0.23630148721814817,0.2504711808649167,0.1445068878075526
EOS-3-04773,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)s4)n23)cc1,LOXCRPFPNPDAKK-UHFFFAOYSA-N,3,1,0.489,89,731,433.453,2.841,5,0.434,0.81,1.0,0.4913217051607155,0.332345281337811,0.15237132478925364,0.07915838530601055,0.26379917414844767
EOS-3-04774,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)nc4)n23)cc1,LPUGWTQOWGNBEW-UHFFFAOYSA-N,3,1,0.541,89,230,457.881,3.58,5,0.387,0.84,1.0,0.7866236035912549,0.467377150298129,0.6167329175519156,0.5267202385031869,0.5993634774861216
EOS-3-04775,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)c(F)c2)n1,XQCSUIRWPWEDRD-UHFFFAOYSA-N,3,1,0.3,98,219,451.429,2.64,6,0.398,0.76,1.0,0.15339078884243712,0.2465903639229662,0.1872986772668083,0.22129223493934616,0.20214301624288944
EOS-3-04776,Cc1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)n1,WZSCKDZSRSAVKY-UHFFFAOYSA-N,3,1,0.359,62,341,466.48,3.65,6,0.421,0.82,1.0,0.18078781440614078,0.2109862243848948,0.26153964772805155,0.3142776368994586,0.24189783085463645
EOS-3-04777,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)n1,OJFPLDZBYIDKLC-UHFFFAOYSA-N,3,1,0.32,25,508,434.467,3.049,6,0.42,0.76,1.0,0.0920002056061956,0.08378452470701117,0.23297752038928107,0.24466280583921596,0.16335626413542595
EOS-3-04778,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)c5)cn4)n23)ccc1C(N)=O,FWANZAPZVAMCJJ-UHFFFAOYSA-N,3,1,0.48,97,210,455.453,3.374,5,0.417,0.82,1.0,0.670361866904256,0.36160989651154823,0.4943629634706326,0.42233225961208964,0.48716674662463166
EOS-3-04779,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1)N1CCOCC1,KGCIKHZKJOCFSI-UHFFFAOYSA-N,3,1,0.396,52,821,465.477,2.178,6,0.393,0.83,1.0,0.023790350215886505,0.0011137002261668151,0.005851209649784113,0.014366732917551915,0.011280498252347337
EOS-3-04780,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)c5)ns4)n23)cc1,KMKIBLDNLMPFDV-UHFFFAOYSA-N,3,1,0.424,62,837,433.884,3.729,5,0.462,0.81,1.0,0.08261085600712768,0.21099479130971147,0.2837451168528545,0.3685062709889658,0.23646425878966484
EOS-3-04781,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,SUOIKQGBXQFGTQ-UHFFFAOYSA-N,3,1,0.311,52,295,451.494,3.024,6,0.422,0.77,1.0,0.12001404975669934,0.025272428209170035,0.03277705434857104,0.048788636830923174,0.0567130422863409
EOS-3-04782,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4)n23)cc1,BUVRRXKAGGRBTC-UHFFFAOYSA-N,3,1,0.363,62,302,450.477,4.552,6,0.425,0.88,1.0,0.24719861558494963,0.3183640600370091,0.5049345486944007,0.6067353162908642,0.41930813515180587
EOS-3-04783,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cc1,XBCILAYNVPZTQG-UHFFFAOYSA-N,3,1,0.286,42,174,431.463,3.711,6,0.419,0.84,1.0,0.0522668083064903,0.020706257281886093,0.387661914879035,0.3938472345966692,0.21362055376602015
EOS-3-04784,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc1,DPAKXEYNSANGTA-UHFFFAOYSA-N,3,1,0.297,25,791,431.463,3.711,6,0.419,0.84,1.0,0.0682355561647591,0.0695120279624426,0.29102700294702216,0.3812538551161675,0.20250711054759785
EOS-3-04785,O=C(NC1COC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)n[nH]4)n23)cc1,GAEQUIOXMBUGFZ-UHFFFAOYSA-N,3,1,0.324,62,124,438.451,2.372,6,0.432,0.82,1.0,0.2362158179699815,0.12902645466383386,0.15841957370982113,0.1572030703858543,0.17021622918237267
EOS-3-04786,Cc1oc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1Cl,XBMLMTDTDAQUQQ-UHFFFAOYSA-N,3,1,0.404,63,108,425.836,2.607,5,0.5,0.73,1.0,0.35712939483243095,0.2980604482215064,0.024852648893153313,0.038456925502021795,0.17962485436227812
EOS-3-04787,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ncccn5)n4)n23)c(C)n1,WMIQLFQEZVAFLT-UHFFFAOYSA-N,3,1,0.287,50,974,438.455,2.158,5,0.437,0.71,0.998,0.13672812007401822,0.03643513124528819,0.020012336371736,0.008772531012267836,0.050487029675827556
EOS-3-04788,Cc1ccnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)c1,CPMKCNIRKIIOIZ-UHFFFAOYSA-N,3,1,0.318,52,647,462.517,3.435,6,0.411,0.81,1.0,0.07823315742581043,0.05824652182852443,0.11098451099993147,0.1329072716057844,0.09509286546501267
EOS-3-04789,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncn(C)n5)cn4)n23)cc1,NBWUYBFMKXHUOQ-UHFFFAOYSA-N,3,1,0.534,89,926,441.455,1.92,5,0.424,0.77,1.0,0.3685319717634158,0.22105236104447948,0.13382393256116784,0.05260091837434035,0.19400229593585086
EOS-3-04790,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)nc4)n23)cc1,XYLOPQIRHKQTTG-UHFFFAOYSA-N,3,1,0.347,52,582,422.448,4.006,6,0.46,0.87,1.0,0.1641422794873552,0.062033102597491604,0.3165821396751422,0.36213247892536493,0.2262225001713385
EOS-3-04791,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnc(C(F)F)nn5)ccc4F)n23)cn1,XWDCLGKWQASELN-UHFFFAOYSA-N,3,1,0.386,22,336,464.371,2.276,5,0.413,0.75,1.0,0.2818775272428209,0.38549448290041805,0.2837536837776712,0.2834281406346378,0.308638458638887
EOS-3-04792,Cc1nc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NCC#N)cc5)n34)c2)n(C)n1,MKJTTWQPNOKWTA-UHFFFAOYSA-N,3,1,0.359,61,124,467.468,2.955,5,0.394,0.87,1.0,0.22526728805428003,0.23127270235076416,0.3574292372010143,0.2922092385717223,0.27654461654444523
EOS-3-04793,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ncn1,IYVXAOIUWOGPEL-UHFFFAOYSA-N,3,1,0.431,89,398,467.493,2.453,6,0.387,0.87,1.0,0.29005894044273867,0.09324240970461244,0.07909841683229388,0.06605099033650881,0.13211268932903847
EOS-3-04794,COc1ccc(NCc2cncc3nnc(-c4ccnc(-c5ccc(C)nc5)c4)n23)cc1,DIHPVKZQJQEFCO-UHFFFAOYSA-N,3,1,0.378,14,257,423.48,4.177,5,0.438,0.92,1.0,0.0944760468782126,0.009200877253101227,0.539382153382222,0.3489394147076965,0.24799962305530807
EOS-3-04795,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4Cl)n23)cc1,UVTMBUYREOLIAR-UHFFFAOYSA-N,3,1,0.573,23,17,443.841,4.052,4,0.455,0.76,1.0,0.9368274964018916,0.762327804811185,0.8676324446576656,0.8201545473236926,0.8467355732986087
EOS-3-04796,CCN(CC)c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cc(C(F)(F)F)c1,JVSGKWMLPWVDLF-UHFFFAOYSA-N,3,1,0.394,66,264,469.471,3.741,4,0.442,0.8,0.955,0.2760777191419368,0.2465989308477829,0.7728051538619697,0.5170910150092523,0.4531432047152354
EOS-3-04797,Cn1cncc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,GFCUUNPLPZEYMW-UHFFFAOYSA-N,3,1,0.479,89,398,466.505,3.058,6,0.392,0.88,0.997,0.37081077376464944,0.09645500651086286,0.18730724419162498,0.15991021862792132,0.20362081077376465
EOS-3-04798,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,SLBSCCBJBKYCKA-UHFFFAOYSA-N,3,1,0.299,10,748,436.414,3.03,6,0.414,0.78,0.871,0.011077033787951477,0.11250085669248167,0.18071927900760743,0.3202316496470427,0.15613220478377082
EOS-3-04799,NC(=O)c1ccc(-c2nnc3cncc(CCc4cccc(-c5ncccn5)c4)n23)cc1,CVKCMWXKKQXVIP-UHFFFAOYSA-N,3,1,0.449,62,886,421.464,3.132,5,0.451,0.82,1.0,0.1667551915564389,0.054142964841340555,0.31659070659995886,0.2504797477897334,0.19699215269686793
EOS-3-04800,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)c(F)c2)cn1,ZGVMYTWJXYUXRH-UHFFFAOYSA-N,3,1,0.34,25,508,452.457,3.188,6,0.405,0.79,1.0,0.20874169008292784,0.35206634226578026,0.42397710917688985,0.4444177917894593,0.35730073332876433
EOS-3-04801,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nc5)n34)cc2)CC1,GLWYTWZXAQQQNW-UHFFFAOYSA-N,3,1,0.323,0,862,453.506,3.028,6,0.464,0.74,1.0,0.26038311287780136,0.09008978137207868,0.020963265026386128,0.04879720375573984,0.1050583407580015
EOS-3-04802,Cc1ncc(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c(F)cn2)nn1,UXMNQCUNNXVZQL-UHFFFAOYSA-N,3,1,0.337,50,974,428.391,1.647,5,0.45,0.71,0.996,0.16953087519703927,0.18345212802412447,0.11099307792474813,0.097483037488863,0.1403647796586937
EOS-3-04803,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cn(C)nn5)c4)n23)cc1,MGRDTWYVEDJWSG-UHFFFAOYSA-N,3,1,0.5,89,656,441.455,1.92,5,0.424,0.79,1.0,0.3638458638886985,0.1433589198821191,0.20821054074429443,0.09961620176821329,0.20375788157083133
EOS-3-04804,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cn(C)nn5)c4)n23)cc1,YRYSGXSDGVSMFE-UHFFFAOYSA-N,3,1,0.473,89,707,441.455,1.92,5,0.424,0.79,1.0,0.3547477897333973,0.15889075457473786,0.17102152011513946,0.08082893564526078,0.19137225001713387
EOS-3-04805,NC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5F)nn4)n23)c(F)c1,AZZMWLXLWDADFW-UHFFFAOYSA-N,3,1,0.363,45,730,436.357,2.555,5,0.463,0.7,0.985,0.05227537523130697,0.26180522239736825,0.6932098553903091,0.7241535878281132,0.43286101021177437
EOS-3-04806,Cn1ncnc1-c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cn1,HRZUWIVUNCWKRI-UHFFFAOYSA-N,3,1,0.373,52,916,469.484,2.604,6,0.406,0.8,0.975,0.08961003358234527,0.17942567336029058,0.09810842300047974,0.1373706394352683,0.12612869234459598
EOS-3-04807,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)nc4)n23)cc1,MYAPALVZXPIXNZ-UHFFFAOYSA-N,3,1,0.32,25,866,437.431,1.234,6,0.395,0.77,1.0,0.11488246179151532,0.08379309163182784,0.01915564389006922,0.02357617709546981,0.06035184360222054
EOS-3-04808,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5cnccn5)cc4F)n23)nc1,QOFVQYQAPLNDLA-UHFFFAOYSA-N,3,1,0.364,85,647,441.43,2.128,5,0.44,0.69,1.0,0.20049174148447674,0.17943424028510727,0.20457816462202727,0.15721163731067095,0.18542894592557058
EOS-3-04809,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cn1)N1CC(F)C1,INKQOGKFZXCSCI-UHFFFAOYSA-N,3,1,0.362,52,376,457.494,3.771,6,0.408,0.85,1.0,0.17772942224659036,0.18346069494894113,0.12269549722431636,0.2271948461380303,0.17777011513946955
EOS-3-04810,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cc1F,IKTCQWVNFZJEBI-UHFFFAOYSA-N,3,1,0.336,74,246,448.849,3.191,5,0.423,0.76,1.0,0.05735556164759098,0.17944280720992392,0.5360667534781715,0.5305239531217874,0.32584726886436843
EOS-3-04811,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)c(C(F)F)c1,LRQZVTLMEZFCBF-UHFFFAOYSA-N,3,1,0.302,74,333,461.436,2.946,5,0.428,0.77,1.0,0.16676375848125558,0.1921132890137756,0.5049431156192173,0.37170173394558287,0.30888047426495785
EOS-3-04812,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,OZHUUYYQCRQCKS-UHFFFAOYSA-N,3,1,0.301,64,144,435.426,3.635,6,0.417,0.81,0.899,0.030669590843670755,0.12203584401343294,0.26875299842368583,0.4000239873894867,0.20537060516756905
EOS-3-04813,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc1,CUZNJAMZWMCTNV-UHFFFAOYSA-N,3,1,0.459,89,398,464.489,3.115,6,0.39,0.85,0.999,0.38472345966691796,0.15512987458022068,0.17454252621478994,0.16767185251182234,0.22051692824343774
EOS-3-04814,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cc(F)cnn5)n4)n23)cc1,SIZLLWYPFMXVLC-UHFFFAOYSA-N,3,1,0.484,89,268,456.441,2.721,5,0.414,0.75,1.0,0.5661195257350421,0.37618223562470016,0.357437804125831,0.247601261051333,0.38683520663422655
EOS-3-04815,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)nc1)N1CCOCC1,FRJUGAUBROZSPQ-UHFFFAOYSA-N,3,1,0.418,52,229,468.542,4.054,6,0.396,0.92,1.0,0.03577547803440477,0.004583304776917278,0.022942224659036392,0.08595195668562813,0.03731324103899664
EOS-3-04816,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnncn5)c4)n23)c(F)c1,LWFLCGMMTDPVOT-UHFFFAOYSA-N,3,1,0.392,14,358,458.432,2.872,5,0.431,0.72,1.0,0.2760862860667535,0.2930573641285724,0.6714755671304229,0.6067438832156808,0.46184077513535743
EOS-3-04817,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cc1,RNLVUNYAEXXQTJ-UHFFFAOYSA-N,3,1,0.529,89,637,437.463,3.187,5,0.435,0.76,1.0,0.6172212322664656,0.2565451305599342,0.5427489548351724,0.39096018093345214,0.4518688746487561
EOS-3-04818,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnc(C#N)nn5)c4)n23)cc1,CYMICVDLFZDRBW-UHFFFAOYSA-N,3,1,0.322,74,333,448.45,2.327,5,0.427,0.74,1.0,0.18632204783770817,0.08703138921252827,0.16794599410595573,0.11521657185936536,0.1391290007538894
EOS-3-04819,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnn(-c4cncnn4)c3)n12,GCLQYBPZXBITQB-UHFFFAOYSA-N,3,1,0.297,74,450,454.454,1.73,6,0.406,0.77,1.0,0.04739222808580632,0.05415153176615722,0.054674114179973955,0.05137584812555685,0.05189843053937358
EOS-3-04820,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)c(F)c4)n23)cc1F,WFHPIZRRBQNPDP-UHFFFAOYSA-N,3,1,0.327,61,341,470.443,3.481,6,0.419,0.82,1.0,0.2306815845384141,0.23128126927558085,0.5087896648619011,0.6131262422040984,0.3959696902199986
EOS-3-04821,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)nc2)cc1,JOSGRAYWHIHUHS-UHFFFAOYSA-N,3,1,0.301,76,750,436.414,3.235,6,0.447,0.75,0.816,0.1921218559385923,0.28758309917072167,0.372575560276883,0.4694760468782126,0.3304391405661024
EOS-3-04822,NC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ccnc(F)c5)n4)n23)cc1,RJEJOJIGLCMAQC-UHFFFAOYSA-N,3,1,0.404,14,319,425.427,3.077,5,0.433,0.79,1.0,0.22812864094304708,0.16272016996778838,0.5192841477623192,0.45066307998081007,0.3401990096634912
EOS-3-04823,Cn1nnnc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4nn[nH]n4)cc3F)n12,PZGDYFYBCDHHFU-UHFFFAOYSA-N,3,1,0.297,98,866,441.394,1.363,6,0.424,0.72,1.0,0.16953944212185593,0.2823744088821877,0.047246590363922966,0.09554691248029608,0.14867683846206567
EOS-3-04824,CC(C)(C)c1ccc(CCCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,VWVPVGXXOWGXMY-UHFFFAOYSA-N,3,1,0.462,63,334,454.578,4.551,5,0.443,0.86,1.0,0.26039167980261807,0.09009834829689535,0.20458673154684395,0.14428414776231924,0.17484022685216916
EOS-3-04825,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(C(F)(F)F)c4)n23)cc1F,UEKLQSSGYZPMMB-UHFFFAOYSA-N,3,1,0.548,48,240,463.366,4.027,4,0.452,0.82,1.0,0.9601380988280447,0.8640600370091152,0.9917329175519156,0.9733397299705298,0.9473176958399012
EOS-3-04826,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnn(C)c5)c4)n23)cc1,VPQSRKDCGQCLEI-UHFFFAOYSA-N,3,1,0.442,62,319,457.925,3.796,5,0.433,0.8,1.0,0.23069015146323077,0.2875916660955383,0.6493814680282366,0.5665907065999589,0.43356349804674116
EOS-3-04827,Cc1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)s1,IVBQCQIFKINXOG-UHFFFAOYSA-N,3,1,0.398,14,357,426.505,3.913,5,0.459,0.8,1.0,0.15072647522445343,0.08380165855664451,0.3986361455691865,0.292217805496539,0.23134552121170585
EOS-3-04829,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(Cl)c5)nc4)n23)cn1,ZZYBTMSSABMXHO-UHFFFAOYSA-N,3,1,0.495,55,879,458.869,2.975,5,0.41,0.8,1.0,0.636942293194435,0.4716520457816462,0.37643067644438355,0.34565828250291275,0.4576708244808444
EOS-3-04830,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(F)cn5)cnn4)n23)cc1,DCRJFTDIYLGPHN-UHFFFAOYSA-N,3,1,0.366,74,139,426.415,2.809,5,0.47,0.73,1.0,0.24179288602563223,0.1752450140497567,0.45655712425467754,0.3909687478582688,0.31614094304708384
EOS-3-04831,CONC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cnc(F)cn5)nc4)n23)cn1,VQSUHZQESLPENT-UHFFFAOYSA-N,3,1,0.365,82,514,443.402,2.136,5,0.406,0.76,0.992,0.35939962990884794,0.2670053457610856,0.2615482146528682,0.18161880611335754,0.2673929991090398
EOS-3-04832,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc1,XRKPFGKZPRZJKX-UHFFFAOYSA-N,3,1,0.321,25,213,432.451,3.106,6,0.418,0.79,1.0,0.1367366869988349,0.10287163319854704,0.23631005414296485,0.29222637242135563,0.1920361866904256
EOS-3-04833,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,XABUNTGUWCEURH-UHFFFAOYSA-N,3,1,0.316,25,791,432.451,3.106,6,0.418,0.79,1.0,0.08961860050716194,0.054160098690973886,0.2363186210677815,0.2922349393461723,0.1680830649030224
EOS-3-04834,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(OC)n5)ccc4F)n23)cc1,PDOLTYAQFMIAHQ-UHFFFAOYSA-N,3,1,0.387,62,3,454.465,4.028,5,0.431,0.86,1.0,0.4712579672400795,0.432227057775341,0.6904341717497087,0.5339678568980879,0.5319717634158043
EOS-3-04835,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nncc(-c5cc(F)ccn5)n4)n23)cc1,DJOHKMWPSANHLJ-UHFFFAOYSA-N,3,1,0.346,74,295,453.441,2.737,6,0.431,0.73,1.0,0.1507350421492701,0.15109485299157013,0.1110016448495648,0.19776745939277637,0.15264974984579535
EOS-3-04836,N#CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nc4)n23)cc1F,PYRGPCZLDVNXDW-UHFFFAOYSA-N,3,1,0.394,66,646,421.823,2.823,4,0.392,0.88,1.0,0.29831745596600645,0.3472174628195463,0.6932184223151258,0.6884723459666918,0.5068064217668425
EOS-3-04837,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cn(F)cn5)nc4)n23)cc1,MRPHEHJOFHXOKM-UHFFFAOYSA-N,3,1,0.523,89,731,444.43,2.721,5,0.429,0.74,1.0,0.6610067850044548,0.3570608594338976,0.4388064560345418,0.28625522582413815,0.43578233157425805
EOS-3-04838,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cc4F)n23)cc1,HDFWVJQZSNWFJI-UHFFFAOYSA-N,3,1,0.381,62,3,438.466,4.409,5,0.439,0.85,1.0,0.2790333082036872,0.28760023302035503,0.7243506270988965,0.6592248646425879,0.4875522582413816
EOS-3-04839,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5F)cc4F)n23)cn1,FWILYQJKKKSPQW-UHFFFAOYSA-N,3,1,0.37,45,405,446.392,4.037,5,0.449,0.77,1.0,0.31114214241655813,0.4141165787129052,0.8834212870947844,0.8933332191076692,0.6255033068329792
EOS-3-04840,Cc1cc(C(=O)N2CC(F)C2)ccc1-c1cncc2nnc(-c3ccc(Cl)nc3)n12,XXDGUBQWNFFIAW-UHFFFAOYSA-N,3,1,0.341,0,688,422.851,3.609,5,0.471,0.82,0.978,0.2818860941676376,0.3570694263587143,0.30182989514084024,0.46948461380302925,0.3525675073675554
EOS-3-04841,COc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ncn2)cc1Cl,WJMDNWZYDOGODC-UHFFFAOYSA-N,3,1,0.394,62,139,457.881,3.676,5,0.427,0.81,1.0,0.45708827359331095,0.3949181001987527,0.6405147008429855,0.5440682612569392,0.509147333972997
EOS-3-04842,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(N5CC(F)C5)nn4)n23)cn1,NXQFLXWUGSZTTA-UHFFFAOYSA-N,3,1,0.489,68,127,421.396,0.812,5,0.479,0.81,1.0,0.3262456308683435,0.2930659310533891,0.012302104036734974,0.01012610513330135,0.16043494277294224
EOS-3-04843,CCc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(C(=O)NCC(F)F)cn3)n12,KPRFRSOSKYYIMN-UHFFFAOYSA-N,3,1,0.288,63,108,438.442,2.942,5,0.476,0.74,0.898,0.04913988074840655,0.10288020012336371,0.054682681104790624,0.08255088753341101,0.07231341237749297
EOS-3-04844,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4OC)n23)nc1,CJNBRVJCNVNDHJ-UHFFFAOYSA-N,3,1,0.308,74,776,438.451,2.679,5,0.445,0.73,0.999,0.34803988760194643,0.12568535398533343,0.17771228839695702,0.08964430128161195,0.1852704578164622
EOS-3-04845,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnn(C)n5)c4)n23)nc1,HRSZQLOUDHIYRK-UHFFFAOYSA-N,3,1,0.411,33,760,441.455,1.92,5,0.424,0.77,1.0,0.37786135288876704,0.1094595983825646,0.15237989171407032,0.07144815297100952,0.17778724898910286
EOS-3-04846,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccncc5)nn4)n23)c(F)c1,MUIZRIIKOPMERW-UHFFFAOYSA-N,3,1,0.381,74,333,427.403,2.204,5,0.463,0.73,1.0,0.17773798917140704,0.24160441367966554,0.2687615653485025,0.2330460557878144,0.23028750599684739
EOS-3-04847,COCCc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4Cl)n23)cn1,QXBZQONLYCQUPZ-UHFFFAOYSA-N,3,1,0.38,63,5,463.929,2.907,5,0.428,0.78,1.0,0.2087502570077445,0.26701391268590224,0.07910698375711055,0.14188540881365225,0.1741891405661024
EOS-3-04848,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccccn4)n23)cc1F,CTTUKSLOWPOTDX-UHFFFAOYSA-N,3,1,0.356,96,802,431.456,3.476,5,0.468,0.74,1.0,0.16677232540607223,0.24660749777259955,0.3055136728120074,0.28932218490850525,0.2520539202247961
EOS-3-04849,CNC(=O)c1ccc(-c2nnc3cncc(Cc4nncc(-c5ncc(F)cn5)n4)n23)cc1,FSKPLGQDPUXSMP-UHFFFAOYSA-N,3,1,0.4,85,260,442.418,1.523,5,0.429,0.68,1.0,0.2252758549790967,0.18788979507915837,0.0641919676512919,0.05138441505037352,0.13218550818998012
EOS-3-04850,Cn1cnnc1-c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1,KAFUFFKIRWHYAG-UHFFFAOYSA-N,3,1,0.396,52,916,468.496,3.209,6,0.411,0.81,1.0,0.2983260228908231,0.27215406757590294,0.22920807346994723,0.29224350627098894,0.2729829175519155
EOS-3-04851,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5)c(F)cn4)n23)nc1,PBUAPCCRDMPSBZ-UHFFFAOYSA-N,3,1,0.438,46,119,442.414,2.46,5,0.424,0.78,0.999,0.4913302720855322,0.28238297580700433,0.40205434857103695,0.3265026386128435,0.3755675587691043
EOS-3-04852,Cn1nnc(-c2cnc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,ZJFHMBOTWCMKJY-UHFFFAOYSA-N,3,1,0.326,74,295,456.445,2.075,6,0.398,0.79,1.0,0.23622438489479816,0.1967222945651429,0.0622729764923583,0.09555547940511275,0.14769378383935303
EOS-3-04853,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(C(F)(F)F)c4)n23)nc1,PTGBMNQBNLECSE-UHFFFAOYSA-N,3,1,0.388,66,505,472.858,4.342,5,0.467,0.81,1.0,0.3084606949489411,0.44537728736892607,0.8892039613460352,0.8823418545678843,0.6313459495579467
EOS-3-04854,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cn4)n23)cc1,RYMUBCKJVIRCLJ-UHFFFAOYSA-N,3,1,0.374,62,3,449.449,3.913,5,0.408,0.85,1.0,0.24988862997738331,0.3029949969159071,0.7543348639572339,0.7189877321636625,0.5065515557535467
EOS-3-04855,Cc1nccc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,AFKSBMCSDDWFOQ-UHFFFAOYSA-N,3,1,0.3,52,295,449.478,2.906,6,0.434,0.77,1.0,0.11489102871633199,0.01297889109725173,0.09545267630731273,0.10808889041189775,0.08285287163319854
EOS-3-04856,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cc1,ZROPDOALTOFPJL-UHFFFAOYSA-N,3,1,0.343,62,582,451.465,3.947,6,0.407,0.84,1.0,0.23894866698649853,0.18789836200397506,0.44939517510794325,0.4968645055170996,0.3432766774038791
EOS-3-04857,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)o1,LBVUVPNHDFXMHM-UHFFFAOYSA-N,3,1,0.359,62,341,454.465,4.453,6,0.421,0.87,1.0,0.33131725035981086,0.32309300253580975,0.46708587485436226,0.4816496470426975,0.40078644369817007
EOS-3-04859,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)cn4)n23)cc1F,MPHMCFKAIAKSFO-UHFFFAOYSA-N,3,1,0.463,7,408,457.429,2.116,5,0.407,0.79,1.0,0.5421835377972722,0.40004968816393666,0.2045952984716606,0.13491193201288465,0.32043511411143855
EOS-3-04860,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnc(F)c5)n4)n23)cc1,BGTFXOPSICMSEZ-UHFFFAOYSA-N,3,1,0.36,29,849,427.403,2.204,5,0.433,0.78,1.0,0.23069871838804742,0.1794513741347406,0.2292166403947639,0.1704047015283394,0.20244285861147282
EOS-3-04861,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5F)n4)n23)cn1,NNGGRQXIEFCAHK-UHFFFAOYSA-N,3,1,0.375,29,704,428.431,3.072,5,0.464,0.75,0.841,0.3778699198135837,0.4941744911246659,0.49437153039544923,0.3685148379137825,0.4337326948118704
EOS-3-04862,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)nc1,REVFFODTWQVAEZ-UHFFFAOYSA-N,3,1,0.427,90,683,412.812,2.917,4,0.541,0.86,1.0,0.6610153519292715,0.4806644506887808,0.6435045576040025,0.5917260640120622,0.5942276060585293
EOS-3-04863,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5cccnn5)cs4)n23)nc1,VHCYHCLNDWCCJL-UHFFFAOYSA-N,3,1,0.29,33,776,441.48,2.659,6,0.441,0.75,0.979,0.04466794599410596,0.0582550887533411,0.0152491261736687,0.028168048797203755,0.03658505242957988
EOS-3-04864,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5cccnc5)nn4)n23)cc1F,GMUYLTUWMZTOJS-UHFFFAOYSA-N,3,1,0.545,89,788,445.418,1.845,5,0.42,0.77,1.0,0.18934617229799192,0.23613014872181481,0.23632718799259816,0.16768041943663903,0.20737098211226096
EOS-3-04865,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(Cl)cnc4Cl)n23)cc1F,JYYGKSDGYAKACE-UHFFFAOYSA-N,3,1,0.424,90,225,417.231,3.322,4,0.514,0.78,1.0,0.3059077513535741,0.3616184634363649,0.7728137207867863,0.8361318621067781,0.5691179494208758
EOS-3-04866,N#CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)c4)n23)cc1,MFKUHVFBYQYTSU-UHFFFAOYSA-N,3,1,0.416,62,319,464.464,3.232,5,0.383,0.85,1.0,0.2900675073675553,0.282391542731821,0.7138475772736619,0.6365567815776849,0.48071585223768076
EOS-3-04867,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(F)c5)cn4)n23)cc1,IXIUXAOMTNPQMU-UHFFFAOYSA-N,3,1,0.484,89,731,455.453,3.326,5,0.418,0.78,1.0,0.6546843944897539,0.4368446302515249,0.5259320814200534,0.4190511274073059,0.5091280583921596
EOS-3-04868,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,YUSXYSUIWRGKMY-UHFFFAOYSA-N,3,1,0.308,98,213,433.439,2.501,6,0.412,0.78,1.0,0.08470975258721129,0.0802892193818107,0.1807278459324241,0.20383284216297717,0.1373899150161058
EOS-3-04869,Cc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,PLNKIZISLAEWNK-UHFFFAOYSA-N,3,1,0.324,61,269,469.484,2.989,6,0.421,0.83,1.0,0.18935473922280857,0.22636385443081353,0.14023199232403535,0.20970118566239462,0.191412942910013
EOS-3-04870,CCOc1cc(F)c(F)cc1-c1cncc2nnc(-c3ccc(C(=O)NCCO)cc3)n12,AEJFOHXPOCYMCD-UHFFFAOYSA-N,3,1,0.373,0,999,439.422,2.857,4,0.459,0.76,0.997,0.5294959221437873,0.3372027277088616,0.7163919539442122,0.5729987663628264,0.5390223425399219
EOS-3-04871,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc1,BGFHWHGNOIOBFC-UHFFFAOYSA-N,3,1,0.3,30,158,435.426,3.635,6,0.417,0.83,0.999,0.01959255705571928,0.15110341991638682,0.33495819340689464,0.48481940922486466,0.24761839490096635
EOS-3-04872,Cc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)nc1,YIMFUILECCHBKY-UHFFFAOYSA-N,3,1,0.324,52,582,447.502,4.116,6,0.435,0.83,1.0,0.15875368377767116,0.03644369817010486,0.30906894661092454,0.329715235419094,0.20849539099444864
EOS-3-04873,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)n4)n23)cc1,ZBPFBSIVDZIIOJ-UHFFFAOYSA-N,3,1,0.402,14,357,454.469,3.123,5,0.42,0.73,1.0,0.2115173737235282,0.21100335823452812,0.33131725035981086,0.2504883147145501,0.2510815742581043
EOS-3-04874,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cnccn5)nc4)n23)cc1F,SHDCTTKWJQARBD-UHFFFAOYSA-N,3,1,0.393,85,580,440.442,2.667,5,0.43,0.75,1.0,0.2196645192241793,0.19673086148995955,0.3421287094784456,0.304828318826674,0.26583810225481463
EOS-3-04875,Cc1ncccc1-c1cnnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)c1,NAARGEJGZXBOBI-UHFFFAOYSA-N,3,1,0.299,82,336,449.478,2.906,6,0.434,0.74,0.709,0.07021451579740937,0.03645226509492153,0.0682612569392091,0.08965286820642862,0.06614522650949214
EOS-3-04876,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cccc(-c4nnn(C)n4)c3)n12,WDOGGGIIUYFKOX-UHFFFAOYSA-N,3,1,0.316,61,269,467.493,2.55,6,0.404,0.87,1.0,0.1777465560962237,0.08381022548146118,0.06228154341717497,0.06133918168734151,0.09629437667055032
EOS-3-04877,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncs5)cn4)n23)cc1,ITGKNNANYMJEJM-UHFFFAOYSA-N,3,1,0.473,89,408,444.48,2.643,5,0.424,0.77,1.0,0.4593670755945446,0.28240010965663764,0.17103008703995615,0.08596052361044479,0.2496894489753958
EOS-3-04878,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5C)cc4F)n23)nc1,JTVQWFRWIJUXEE-UHFFFAOYSA-N,3,1,0.336,63,686,475.484,2.213,5,0.481,0.75,0.988,0.10181790144609691,0.04309163182783908,0.07692241792886026,0.07542320608594338,0.07431378932218491
EOS-3-04879,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnccn5)nc(C)n4)n23)cn1,VATKEIWKPLHJRZ-UHFFFAOYSA-N,3,1,0.329,82,974,424.428,1.768,5,0.457,0.76,0.999,0.1560294016859708,0.039442121855938594,0.04890857377835652,0.022856555410869714,0.0668091631827839
EOS-3-04880,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4Oc4ccc(F)cc4F)n23)cc1,BFTTUEDHPJINDB-UHFFFAOYSA-N,3,1,0.364,62,837,459.416,3.678,5,0.427,0.82,1.0,0.5946216846000959,0.5304982523473374,0.622575560276883,0.5267288054280036,0.56860607566308
EOS-3-04881,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ncc(C)s5)c4)n23)cc1,NEJJQHBDITWJPS-UHFFFAOYSA-N,3,1,0.402,62,319,440.532,4.174,5,0.443,0.78,1.0,0.21400178192036187,0.09646357343567953,0.35377116030429717,0.23305462271263108,0.22432278459324242
EOS-3-04882,Cn1ncc(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,RWQZTJGKLPNLTM-UHFFFAOYSA-N,3,1,0.357,96,648,431.406,3.236,5,0.471,0.7,1.0,0.17775512302104038,0.29307449797820573,0.6714841340552395,0.6857309300253581,0.45701117126996094
EOS-3-04883,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4F)n23)cn1,YVGNDFPVRLVAGX-UHFFFAOYSA-N,3,1,0.333,82,204,470.443,3.481,6,0.419,0.84,1.0,0.3138664245082585,0.2930830649030224,0.2946079775203893,0.40003255431430335,0.32539750531149336
EOS-3-04884,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(C)nn5)c4)n23)cc1,KUWZBXSELKADHG-UHFFFAOYSA-N,3,1,0.506,62,637,451.49,3.495,5,0.421,0.79,1.0,0.5318518264683709,0.22106092796929613,0.43881502295935854,0.2715029812898362,0.36580768967171545
EOS-3-04885,CC1CCC(F)CN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(F)cn4)n23)cn1,MLHGNWCWKPEJBU-UHFFFAOYSA-N,3,1,0.29,63,169,435.438,3.35,5,0.49,0.69,1.0,0.07022308272222604,0.10946816530738127,0.0954612432321294,0.2418528544993489,0.1292513364402714
EOS-3-04886,CC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4cnn(CC(F)F)c4)n23)cc1,VMSRYGZQZDOVEN-UHFFFAOYSA-N,3,1,0.333,63,792,437.454,3.544,5,0.477,0.69,1.0,0.03720615447878829,0.054168665615790555,0.09102357617709547,0.20070591460489343,0.09577607771914193
EOS-3-04887,CCCCc1nc(C)c(C)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,RWTSCSSEEHKHNA-UHFFFAOYSA-N,3,1,0.271,63,108,442.527,3.495,5,0.466,0.76,1.0,0.06824412308957577,0.05050202179425673,0.002381605099033651,0.0019104242341169214,0.03075954355424577
EOS-3-04888,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnn(C)c5)c4)n23)cc1F,IFNGKFXFXNQIBY-UHFFFAOYSA-N,3,1,0.322,74,450,417.408,1.876,5,0.478,0.8,1.0,0.03578404495922144,0.11539647728051539,0.33496676033171136,0.24186142142416558,0.18200217599890345
EOS-3-04889,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)cc1,PYVVSHPKMZDOAF-UHFFFAOYSA-N,3,1,0.348,64,27,431.463,3.711,6,0.419,0.84,1.0,0.07410389966417655,0.01721095195668563,0.2082191076691111,0.2686501953258858,0.14204603865396476
EOS-3-04890,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(C)nn5)ncn4)n23)cc1F,KUYBJRLVGCNXAL-UHFFFAOYSA-N,3,1,0.343,74,768,442.418,1.907,5,0.442,0.7,0.997,0.19474333493249263,0.19673942841477624,0.13091974504831747,0.10169796449866356,0.15602511822356246
EOS-3-04891,O=C(NCCO)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cn1,LDJOGENXPUACAE-UHFFFAOYSA-N,3,1,0.343,82,204,438.451,2.032,5,0.412,0.8,1.0,0.15339935576725378,0.03945068878075526,0.13708793091631827,0.10809745733671441,0.10950885820026043
EOS-3-04892,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1F,FVKLGFDPIJDVDU-UHFFFAOYSA-N,3,1,0.34,10,39,438.43,2.974,6,0.417,0.79,1.0,0.019601123980535946,0.1921218559385923,0.28376225070248784,0.3456668494277294,0.21028802001233637
EOS-3-04893,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnc(C(F)F)nc5)c4)n23)cn1,IGVBLROTOWARMA-UHFFFAOYSA-N,3,1,0.36,50,450,448.397,2.126,5,0.433,0.71,1.0,0.03321396751422109,0.11250942361729833,0.24005380028784867,0.13971797683503528,0.13137379206360084
EOS-3-04894,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnnc(F)c5)n4)n23)cc1,OEWPNPUKODCZPH-UHFFFAOYSA-N,3,1,0.5,89,731,443.402,1.855,5,0.415,0.73,1.0,0.5715937906928928,0.2876087999451717,0.24006236721266533,0.16768898636145568,0.3167384860530464
EOS-3-04895,NC(=O)c1ccc(-c2nnc3cncc(COc4cccc(-c5ccc(Cl)nn5)n4)n23)cc1,NPCSUKHXURYACS-UHFFFAOYSA-N,3,1,0.398,14,740,458.869,2.975,5,0.41,0.78,1.0,0.44531731889520937,0.3664930436570489,0.32033445274484273,0.2626790487286684,0.3487059660064423
EOS-3-04896,CCn1c(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cnc1C(=O)N1CCCC1C,KVHWGYMQPVSAHD-UHFFFAOYSA-N,3,1,0.375,78,334,458.526,2.322,5,0.473,0.69,0.989,0.029461654444520594,0.007161949146734288,0.0014478102940168598,0.0009166609553834555,0.009747018710163799
EOS-3-04897,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(Cl)cn5)cc4F)n23)cc1,XHLVVVIVKYBESU-UHFFFAOYSA-N,3,1,0.411,14,260,460.86,3.126,5,0.427,0.74,0.946,0.33376739085737783,0.33235384826262765,0.46709444177917897,0.46949318072784596,0.4006772154067576
EOS-3-04898,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(F)c1,CGQSZIABKSGJEB-UHFFFAOYSA-N,3,1,0.355,25,791,449.453,3.85,6,0.403,0.83,1.0,0.2333972997052978,0.342300047974779,0.3764392433692002,0.5000514015489,0.3630469981495442
EOS-3-04899,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1,GHWREPXKFYPKRI-UHFFFAOYSA-N,3,1,0.263,64,27,432.451,3.404,6,0.449,0.76,1.0,0.12550544856418341,0.10605852923034748,0.23633575491741485,0.28343670755945444,0.18783411006785006
EOS-3-04900,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(C(=O)N4CCCC4)cc3)n12,RBYGNQWFQBQHDS-UHFFFAOYSA-N,3,1,0.371,0,782,480.572,3.819,6,0.453,0.9,1.0,0.13390103488451785,0.00786443698170105,0.0051487218148173535,0.02032931258995271,0.04181087656774724
EOS-3-04901,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(C(F)(F)F)nc5)n34)nc2)CC1,KBVYBZAVZXMUPC-UHFFFAOYSA-N,3,1,0.347,63,505,453.428,3.473,5,0.497,0.72,0.979,0.23340586663011445,0.24161298060448222,0.5224453430196696,0.4695017476526626,0.3667414844767322
EOS-3-04902,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccncc5)c(F)c4)n23)cc1F,BGTDTFDQLBDKFY-UHFFFAOYSA-N,3,1,0.32,96,802,469.455,4.086,6,0.417,0.87,1.0,0.21967308614899594,0.21585223768076212,0.5529692961414571,0.6421938181070523,0.4076721095195669
EOS-3-04903,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cc1,JQUOPIUBUUYAPY-UHFFFAOYSA-N,3,1,0.301,42,106,432.451,3.106,6,0.418,0.8,1.0,0.11758104310876567,0.046869645671989583,0.2046038653964773,0.21574086765814543,0.14619885545884448
EOS-3-04904,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)n1,BDNFIOGHYDKPQW-UHFFFAOYSA-N,3,1,0.305,98,882,434.467,3.143,6,0.42,0.77,1.0,0.004069289287917209,0.03033548077582071,0.1976303885957097,0.17041326845315605,0.10061210677815091
EOS-3-04905,CCn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)cn1,VQQBWRBPHMDDBY-UHFFFAOYSA-N,3,1,0.303,52,295,451.494,3.024,6,0.422,0.81,1.0,0.06825269001439244,0.012987458022068398,0.07693098485367693,0.08083750257007745,0.059752158865053806
EOS-3-04906,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccccn5)ccn4)n23)c(F)c1,KZHPIVMXSOZDCI-UHFFFAOYSA-N,3,1,0.5,1,850,455.453,3.326,5,0.418,0.8,1.0,0.6000274141594133,0.4453858542937427,0.5325628812281543,0.40953327393598793,0.4968773559043246
EOS-3-04907,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)cc1,AQGIEVCGSJMRSC-UHFFFAOYSA-N,3,1,0.357,9,98,431.463,3.711,6,0.419,0.83,1.0,0.11489959564114866,0.062041669522308274,0.29461654444520596,0.3393358919882119,0.2027234253992187
EOS-3-04908,CCCOc1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC)cn4)n23)nc1,GUMDJIDYJBZANZ-UHFFFAOYSA-N,3,1,0.409,33,806,420.433,1.704,4,0.453,0.79,1.0,0.252501542046467,0.039459255705571926,0.0327856212733877,0.0075817284627510105,0.0830820368720444
EOS-3-04909,CCc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(C)c4)n23)ncn1,WNIBBTHNUGBYIU-UHFFFAOYSA-N,3,1,0.343,63,334,413.485,2.935,5,0.522,0.87,1.0,0.10182646837091358,0.017219518881502294,0.047255157288739635,0.04743506270988966,0.0534340518127613
EOS-3-04910,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nc1,RDNDXHYGEXGCQT-UHFFFAOYSA-N,3,1,0.333,94,654,434.427,1.896,6,0.404,0.77,1.0,0.08471831951202796,0.054177232540607224,0.024861215817969982,0.043391474196422454,0.051787060516756904
EOS-3-04911,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)cc(C(F)(F)F)n1,ZGGFSECSTFHLBG-UHFFFAOYSA-N,3,1,0.5,68,12,447.352,2.726,4,0.467,0.7,0.999,0.7520646288808169,0.6299431156192173,0.8558357891851142,0.6507950106229867,0.7221596360770337
EOS-3-04912,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5F)cc(C#N)n4)n23)cc1,FJPQXJUOFMYACM-UHFFFAOYSA-N,3,1,0.368,62,139,450.437,3.286,5,0.417,0.78,1.0,0.22813720786786376,0.2516277157151669,0.6714927009800562,0.5665992735247756,0.4294642245219656
EOS-3-04913,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,PMOWHXSUEZWTSX-UHFFFAOYSA-N,3,1,0.495,89,656,466.505,3.058,6,0.392,0.84,1.0,0.3033119731341238,0.07681104790624357,0.240070934137482,0.20384140908779386,0.20600884106641082
EOS-3-04914,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)c1,YNCWVEXNYNGRII-UHFFFAOYSA-N,3,1,0.337,25,508,433.439,2.501,6,0.412,0.77,1.0,0.08700568843807827,0.02298505928311973,0.1777208553217737,0.22401651703104652,0.12793203001850456
EOS-3-04915,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nc1,FGYHCXOQOFXGGF-UHFFFAOYSA-N,3,1,0.33,70,687,433.439,2.501,6,0.412,0.77,1.0,0.09448461380302926,0.06952059488725927,0.08628606675347818,0.11283496676033171,0.09078156055102461
EOS-3-04916,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cncs5)c4)n23)c(F)c1,ZPLONYDXGOCYSK-UHFFFAOYSA-N,3,1,0.422,14,319,444.495,4.004,5,0.443,0.78,1.0,0.2307072853128641,0.277285655541087,0.6106332670824481,0.5369748475087383,0.4139002638612843
EOS-3-04917,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cc1,AHCKKJVTXXERPW-UHFFFAOYSA-N,3,1,0.367,62,302,451.465,3.947,6,0.435,0.79,1.0,0.25757316153793436,0.17525358097457336,0.36483962716743196,0.42541635254609006,0.30577068055650747
EOS-3-04918,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cccc(-c4ncc(F)cn4)n3)n12,DFXHEHUAYQDMLQ-UHFFFAOYSA-N,3,1,0.35,74,155,426.415,2.857,5,0.468,0.73,0.984,0.19213042286340895,0.18346926187375778,0.2837708176273045,0.2359502433006648,0.22383018641628402
EOS-3-04919,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccncc5)n4)n23)cc1,YHSOOJLUBRQDKA-UHFFFAOYSA-N,3,1,0.368,62,139,457.444,3.754,5,0.417,0.85,1.0,0.24417449112466588,0.1705931738743061,0.5224539099444864,0.47562709889658006,0.3532121684600096
EOS-3-04920,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cc(F)ccn5)nc4)n23)cc1,QOUIWIOJZYEAHC-UHFFFAOYSA-N,3,1,0.426,14,886,439.454,3.272,5,0.435,0.77,1.0,0.2683503529573025,0.19213042286340895,0.45988965800836135,0.4127972722911384,0.3332919265300528
EOS-3-04921,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(F)cc5)n34)cc2F)CC1,HNVWDHJIRDZIED-UHFFFAOYSA-N,3,1,0.438,0,646,419.435,3.943,5,0.532,0.84,1.0,0.41093824960592146,0.4092676992666712,0.49438009732026594,0.6536392296621205,0.4920563189637448
EOS-3-04922,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)nn4)n23)cc1,WDWUENVHOZJNLU-UHFFFAOYSA-N,3,1,0.489,89,637,464.489,3.115,6,0.39,0.86,1.0,0.39149133027208555,0.15111198684120347,0.08629463367829483,0.11034199163868137,0.1848099856075663
EOS-3-04923,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cn4)n23)cc1,GXAKQDIKBHTGGP-UHFFFAOYSA-N,3,1,0.404,89,310,426.44,2.739,5,0.46,0.78,1.0,0.49365190871084913,0.21586080460557877,0.2471557809608663,0.11284353368514838,0.26737800699061065
EOS-3-04924,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(F)nc5)cn4)n23)cc1,RFVFYLWXVGFUJZ-UHFFFAOYSA-N,3,1,0.404,14,357,426.415,2.472,5,0.428,0.77,1.0,0.2525101089712837,0.15889932149955452,0.4494037420327599,0.3424970872455623,0.3008275649372901
EOS-3-04925,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cnccc5F)cn4)n23)cc1F,FPDQWYLWCWNCSY-UHFFFAOYSA-N,3,1,0.396,85,81,458.432,2.872,5,0.431,0.72,1.0,0.31874957165375917,0.30804948255774106,0.5360753204029881,0.48758652594064833,0.4126152251387841
EOS-3-04926,N#Cc1cc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)ccn1,XHCITIXWQUVUQF-UHFFFAOYSA-N,3,1,0.297,42,195,442.446,3.368,6,0.407,0.79,1.0,0.019609690905352615,0.04687821259680625,0.4349513398670413,0.44124802960729215,0.2356718182441231
EOS-3-04927,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccco5)n4)n23)cn1,XXQXGOMDASDOIS-UHFFFAOYSA-N,3,1,0.34,52,423,423.436,3.401,6,0.461,0.78,0.971,0.11184977040641492,0.05826365567815777,0.07911555068192722,0.1244431498869166,0.09341803166335413
EOS-3-04928,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5nc(C)nn5C)n4)n23)cc1,WCHPDDGSQZEFAC-UHFFFAOYSA-N,3,1,0.322,29,849,427.432,1.107,5,0.446,0.75,1.0,0.0782417243506271,0.020714824206702762,0.007144815297100953,0.001833321910766911,0.02698367144129943
EOS-3-04929,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(Cl)nc5)c4)n23)o1,SHNLUHFJLQTXQG-UHFFFAOYSA-N,3,1,0.282,82,859,432.831,2.916,5,0.43,0.8,0.778,0.21152594064834487,0.17945994105955726,0.3018384620656569,0.2595521211705846,0.23809411623603594
EOS-3-04930,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5)n4C)n23)cc1,UIARVXVMYLLALP-UHFFFAOYSA-N,3,1,0.319,8,882,435.455,2.444,6,0.414,0.76,1.0,0.04603008703995614,0.039467822630388595,0.047263724213556305,0.06287266122952505,0.04890857377835653
EOS-3-04931,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)nn1,CASOXOIJJPQJCZ-UHFFFAOYSA-N,3,1,0.352,25,508,435.455,2.444,6,0.414,0.76,1.0,0.0805033925022274,0.06952916181207594,0.13709649784113495,0.15441881982043726,0.11038696799396888
EOS-3-04932,Cc1nn(C)c(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)cc1,CWDHMFDPELPKNL-UHFFFAOYSA-N,3,1,0.385,61,124,441.47,3.714,5,0.458,0.76,1.0,0.1667808923308889,0.2110119251593448,0.44583133438420947,0.35520183674868067,0.29470649715578096
EOS-3-04933,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cc1,ZEJFASPDDQCGJV-UHFFFAOYSA-N,3,1,0.333,52,246,456.897,3.585,6,0.405,0.82,0.991,0.05061339181687342,0.1324189568912343,0.2254900280995134,0.3329792337742444,0.18537540264546637
EOS-3-04934,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)cc1,PQTDGVSKPDQPKH-UHFFFAOYSA-N,3,1,0.343,9,642,434.467,3.049,6,0.42,0.77,1.0,0.09930779247481324,0.054185799465423894,0.21493557672537866,0.2157494345829621,0.1460446508121445
EOS-3-04935,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cc1,OUNUYCSBNXBWLI-UHFFFAOYSA-N,3,1,0.343,9,642,434.467,3.049,6,0.42,0.77,1.0,0.0993163593996299,0.054194366390240556,0.21494414365019532,0.21575800150777877,0.14605321773696114
EOS-3-04936,CNCc1cc(-c2nnc3cncc(Oc4cnc(C)nc4C(F)F)n23)ccc1Cl,XWDVEDHLOVOBGN-UHFFFAOYSA-N,3,1,0.435,68,127,431.834,3.992,4,0.493,0.73,0.898,0.7866321705160716,0.8048111849770406,0.7945308751970392,0.6829638133095743,0.7672345109999315
EOS-3-04937,O=C(NCC1CC1)c1ccc(-c2nnc3cncc(-c4cn(C5CC5)nc4C(F)F)n23)cc1,SUCQDJBBDONWJJ-UHFFFAOYSA-N,3,1,0.371,63,792,449.465,4.067,6,0.459,0.83,1.0,0.11758961003358234,0.08703995613734494,0.07484065519840997,0.21839661435131244,0.12446670893016243
EOS-3-04938,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCCC6)cc5)n34)cc2)nn1,KHYBUHYPUDDKNN-UHFFFAOYSA-N,3,1,0.363,52,376,462.517,3.855,6,0.4,0.84,1.0,0.05736412857240765,0.010982797614968131,0.009612089644301281,0.03972483037488863,0.029420961551641422
EOS-3-04939,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)cn1)N1CCCC1,UAIJCMIBKDLIRH-UHFFFAOYSA-N,3,1,0.404,82,169,453.531,4.213,6,0.405,0.87,0.91,0.04319443492563909,0.02072339113151943,0.005157288739634021,0.02995853608388733,0.024758412720169966
EOS-3-04940,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)cc4F)n23)cc1F,HACVYGXUHVTZBA-UHFFFAOYSA-N,3,1,0.419,66,225,414.803,3.068,4,0.519,0.8,1.0,0.352357617709547,0.42314611746967307,0.7904016174354054,0.7807466931670207,0.5866630114454116
EOS-3-04941,COc1cccc(-n2ccc(-c3cncc4nnc(-c5ccc(C(=O)NCC#N)cc5)n34)n2)n1,LEGUKOGEWBPLSL-UHFFFAOYSA-N,3,1,0.301,62,124,451.45,2.301,5,0.389,0.81,1.0,0.15876225070248784,0.10606709615516415,0.24007950106229867,0.1265677472414502,0.1578691487903502
EOS-3-04942,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nc2)n1,AINXVGHGDMXCBF-UHFFFAOYSA-N,3,1,0.277,98,654,433.439,2.501,6,0.412,0.79,1.0,0.04320300185045576,0.027516962511137003,0.05824652182852443,0.09165752861352888,0.05515600370091152
EOS-3-04943,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cc1,XWDUGXJFSOUGBZ-UHFFFAOYSA-N,3,1,0.54,89,731,438.451,2.582,5,0.43,0.75,1.0,0.5162514563772188,0.2466160646974162,0.24716434788568295,0.12857240764855046,0.28465106915221705
EOS-3-04944,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,KAHYALGSOXLSAI-UHFFFAOYSA-N,3,1,0.329,25,508,432.451,3.106,6,0.418,0.79,1.0,0.08962716743197861,0.0505105887190734,0.19763895552052635,0.23306318963744774,0.14270997532725652
EOS-3-04945,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4OC)n23)c(F)c1,QLCMTZLFLNMUSE-UHFFFAOYSA-N,3,1,0.345,96,648,455.453,3.423,5,0.433,0.77,1.0,0.4812727023507642,0.47166061270646287,0.6770697690357069,0.5170995819340689,0.5367756665067507
EOS-3-04946,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5OC)cc4)n23)cn1,XMBFTQHHOXWWDX-UHFFFAOYSA-N,3,1,0.372,62,3,454.465,4.028,5,0.431,0.85,1.0,0.5887362072510451,0.5261205537660202,0.6465800836131862,0.5403930505105887,0.5754574737852101
EOS-3-04947,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ncc(F)cn5)c4)n23)nc1,ADBXSJJKRQHABE-UHFFFAOYSA-N,3,1,0.373,33,647,467.468,2.66,6,0.404,0.79,0.982,0.14470392707833596,0.15112055376602015,0.08136008498389419,0.11986841203481598,0.12426324446576656
EOS-3-04948,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cn3)n12,QSUAGLHKIBXEEB-UHFFFAOYSA-N,3,1,0.316,52,582,464.489,3.211,6,0.407,0.87,0.993,0.2005003084092934,0.06953772873689261,0.21180008224247823,0.19253306832979233,0.16859279692961415
EOS-3-04949,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cc1,UDTGPHGVSABBLQ-UHFFFAOYSA-N,3,1,0.305,39,144,436.414,3.03,6,0.414,0.8,0.949,0.02592351449523679,0.14336748680693578,0.13383249948598452,0.26268761565348503,0.14145277911041054
EOS-3-04950,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(Cl)nn5)n4)n23)cc1,OYTDAWINNYCVCB-UHFFFAOYSA-N,3,1,0.352,52,423,469.896,3.251,6,0.416,0.81,0.999,0.18079638133095743,0.1921389897882256,0.07912411760674389,0.15190014392433693,0.15098990816256597
EOS-3-04951,CCN1CC=C(c2nc(-c3cncc4nnc(-c5ccc(C(=O)NC)cc5)n34)nn2C)CC1,BTRZBELTXSTZOT-UHFFFAOYSA-N,3,1,0.306,63,792,443.515,2.055,5,0.503,0.72,0.999,0.08701425536289494,0.010991364539784798,0.0016020149407168802,0.0006339524364334179,0.02506039681995751
EOS-3-04952,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cnc(CO)cn4)n23)cc1F,BKJXVVBWNMGYPO-UHFFFAOYSA-N,3,1,0.411,63,5,433.447,1.89,5,0.457,0.76,1.0,0.29833458981563976,0.1967479953395929,0.07913268453156055,0.12858097457336715,0.17569906106504007
EOS-3-04953,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)cn1,NTMFOKDCBXQNEK-UHFFFAOYSA-N,3,1,0.5,97,91,428.477,3.593,5,0.443,0.82,1.0,0.47644095675416354,0.27216263450071965,0.4163525460900555,0.35222911383729694,0.37929631279555887
EOS-3-04954,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)nc1,LJPLTOCUKFNTEZ-UHFFFAOYSA-N,3,1,0.362,32,219,450.441,3.245,6,0.402,0.79,1.0,0.18080494825577412,0.29806901514632306,0.3055222397368241,0.40004112123912,0.2961093310945103
EOS-3-04955,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nc1,SNOYUSLYBXZHDR-UHFFFAOYSA-N,3,1,0.535,89,731,426.44,2.265,5,0.441,0.76,1.0,0.32370125419779316,0.12204441093824961,0.30184702899047355,0.16251456377218834,0.22752681447467615
EOS-3-04956,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)c(Cl)c5)no4)n23)cc1,KCWHRKDYDRMEMW-UHFFFAOYSA-N,3,1,0.415,62,837,466.288,4.175,5,0.423,0.88,1.0,0.3059163182783908,0.3809111781235008,0.5393907203070386,0.582499485984511,0.4521794256733603
EOS-3-04957,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)s4)n23)cc1,UAWQCEISAJYSJJ-UHFFFAOYSA-N,3,1,0.511,89,731,444.48,2.643,5,0.424,0.78,1.0,0.47126653416489617,0.19675656226440957,0.15518984305393735,0.07735076416969365,0.22514092591323417
EOS-3-04958,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)cnn4)n23)cc1,NEQOKQDPNUDTHV-UHFFFAOYSA-N,3,1,0.457,89,926,443.427,1.878,5,0.412,0.78,1.0,0.3638544308135152,0.17060174079912274,0.0769395517784936,0.028176615722020425,0.159893084778288
EOS-3-04959,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)nn1,FJNWXWWIWBQMRL-UHFFFAOYSA-N,3,1,0.293,9,537,432.451,3.404,6,0.449,0.77,1.0,0.12002261668151601,0.14337605373175244,0.3499760126105133,0.3456754163525461,0.239762524844082
EOS-3-04960,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)nc1,GCKYGJIAWKTRNI-UHFFFAOYSA-N,3,1,0.37,66,505,413.363,2.551,4,0.552,0.78,0.999,0.30592488520320743,0.2824086765814543,0.7969124802960729,0.5570043177301076,0.4855625899527105
EOS-3-04961,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)cc1,VSAZVPCCQKNKPH-UHFFFAOYSA-N,3,1,0.647,0,378,453.424,3.722,5,0.432,0.81,1.0,0.7694212185593859,0.46738571722294564,0.7424611061613323,0.7584384209444178,0.6844266157220205
EOS-3-04962,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnn(C)n5)c4)n23)cn1,REANVLTUWQRIGP-UHFFFAOYSA-N,3,1,0.484,36,258,442.443,1.315,5,0.412,0.82,1.0,0.4360650400932081,0.20609451031457748,0.04891714070317319,0.021211705846069497,0.17807209923925707
EOS-3-04963,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C(F)F)cn4)n23)cc1F,HIWLZYXKUGPBCO-UHFFFAOYSA-N,3,1,0.33,74,768,464.411,3.611,5,0.426,0.8,1.0,0.2498971969022,0.3183726269618258,0.732232197930231,0.6275101089712837,0.4820030326913851
EOS-3-04964,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cc1,QWTCGGIOULGGDX-UHFFFAOYSA-N,3,1,0.43,66,225,413.363,2.551,4,0.552,0.8,1.0,0.34102357617709544,0.30300356384072374,0.7774569940374203,0.5470238503186896,0.4921269960934823
EOS-3-04965,COc1cc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc(Cl)n1,PTDIAMPMSRXQHK-UHFFFAOYSA-N,3,1,0.607,63,536,464.913,3.362,5,0.399,0.85,1.0,0.6031629086423137,0.33721129463367827,0.23298608731409773,0.22720341306284697,0.3501409259132342
EOS-3-04966,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cccnn5)c4)n23)cc1,DDFPBVNGZJTLIF-UHFFFAOYSA-N,3,1,0.402,62,916,465.492,3.87,6,0.409,0.83,1.0,0.24720718250976628,0.22106949489411282,0.4309934206017408,0.49069631964909877,0.34749160441367966
EOS-3-04967,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cncnc4)n23)cc1,RYAXMCZVUYSLHU-UHFFFAOYSA-N,3,1,0.304,94,761,434.427,1.896,6,0.404,0.78,1.0,0.11759817695839901,0.08029778630662737,0.08136865190871084,0.10810602426153108,0.09684265985881708
EOS-3-04968,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(Cl)n5)cn4)n23)cn1,XLXFHKOTYWJINS-UHFFFAOYSA-N,3,1,0.369,82,845,443.858,2.718,5,0.42,0.76,1.0,0.20578610102117745,0.22637242135563018,0.17772942224659036,0.17882598862312385,0.19717848331163046
EOS-3-04969,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)cc1,CGODQHWQDWIKBH-UHFFFAOYSA-N,3,1,0.278,64,495,433.439,2.501,6,0.412,0.78,1.0,0.06276985813172503,0.054202933315057225,0.054691248029607294,0.08596909053526146,0.06440828250291275
EOS-3-04970,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)cc1,NQYHUZIKDGFGTG-UHFFFAOYSA-N,3,1,0.338,42,213,433.439,2.501,6,0.412,0.78,1.0,0.13139092591323417,0.06954629566170928,0.11700705914604893,0.1442927146871359,0.11555924885203207
EOS-3-04971,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(F)c5)cn4)n23)cc1C,MIRLFJUOTLMJRU-UHFFFAOYSA-N,3,1,0.36,74,155,440.442,3.117,5,0.428,0.78,1.0,0.1947519018573093,0.18347782879857447,0.442284627510109,0.33628606675347816,0.28920010622986775
EOS-3-04972,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cc1C,QENRWIVDKPHTAY-UHFFFAOYSA-N,3,1,0.326,74,997,429.419,2.241,5,0.436,0.76,1.0,0.0142382290453019,0.10947673223219793,0.279967103008704,0.2097097525872113,0.1533479542183538
EOS-3-04973,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(COC)cc4C(F)F)n23)cc1,BTXRRLFGTMVJOO-UHFFFAOYSA-N,3,1,0.343,66,999,424.411,3.297,4,0.51,0.72,1.0,0.3663302720855322,0.2618137893221849,0.7843191008155712,0.5794068261256939,0.4979674970872456
EOS-3-04974,Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(-c2ccccc2)cn1,XSCARJCZUBWQBN-UHFFFAOYSA-N,3,1,0.306,52,582,447.502,4.116,6,0.435,0.83,1.0,0.13674525392365156,0.06955486258652593,0.20461243232129395,0.27151154821465284,0.17060602426153107
EOS-3-04975,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)nc4)n23)cc1,XAXHARPDMUCUHH-UHFFFAOYSA-N,3,1,0.319,38,608,432.451,3.106,6,0.418,0.78,1.0,0.08051195942704407,0.039476389555205264,0.20462099924611063,0.194966074977726,0.1298938558015215
EOS-3-04976,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cccnc4F)n23)c(F)c1,ZDEHPYJIDNSMDP-UHFFFAOYSA-N,3,1,0.34,74,155,444.405,2.948,5,0.424,0.77,1.0,0.23623295181961484,0.26702247961071895,0.4671030087039956,0.43188438078267427,0.3505607052292509
EOS-3-04977,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncnc(-c5ccccc5)n4)n23)nc1,KLCJGCOLOGTHDD-UHFFFAOYSA-N,3,1,0.394,89,348,453.466,2.367,5,0.394,0.77,1.0,0.3847320265917346,0.16658385306010554,0.04892570762798985,0.024441436501953257,0.15617075594544583
EOS-3-04978,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)cc4F)n23)cn1,VWPTZEAYWBGALC-UHFFFAOYSA-N,3,1,0.374,82,204,451.465,3.947,6,0.435,0.8,0.997,0.24990576382701665,0.26182235624700156,0.3725841272016997,0.487595092865465,0.34297683503529575
EOS-3-04979,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cc1,DGGRMYUFAOSECK-UHFFFAOYSA-N,3,1,0.316,25,508,435.455,2.444,6,0.414,0.75,1.0,0.10183503529573025,0.07681961483106024,0.11378589541498184,0.13492049893770133,0.10684026111986841
EOS-3-04980,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C)c5)cc(C(F)F)n4)n23)cc1,UPYLREGRGODBFN-UHFFFAOYSA-N,3,1,0.33,74,333,460.448,3.551,5,0.43,0.77,0.998,0.15340792269207046,0.14338462065656912,0.6932269892399424,0.49687307244191625,0.37172315125762456
EOS-3-04981,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)c1,XEWMLBZYLMWGRL-UHFFFAOYSA-N,3,1,0.35,25,745,453.445,2.583,6,0.4,0.78,1.0,0.20310465355356042,0.34230861489959563,0.21841374820094578,0.2686587622507025,0.25812144472620113
EOS-3-04982,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1,MILIMQXIJLIVPQ-UHFFFAOYSA-N,3,1,0.362,61,681,458.432,3.368,6,0.405,0.82,0.998,0.08472688643684463,0.1879069289287917,0.30553080666164073,0.435139812213008,0.2533261085600713
EOS-3-04983,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnn5)c4)n23)cc1,SAAOREBDPGWRMD-UHFFFAOYSA-N,3,1,0.448,89,707,465.477,2.51,6,0.385,0.83,1.0,0.3870365293674183,0.09947056404632992,0.12799842368583372,0.1306713042286341,0.18629420533205399
EOS-3-04984,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cc(F)c(C)nn5)cn4)n23)cc1,YSALQWGQJAIWPM-UHFFFAOYSA-N,3,1,0.361,74,333,441.43,2.512,5,0.451,0.68,1.0,0.2057946679459941,0.18348639572339112,0.2220546912480296,0.15190871084915358,0.1908111164416421
EOS-3-04985,Cn1c(F)nnc1-c1ccc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nc1,WNWQAFWZZOOHLP-UHFFFAOYSA-N,3,1,0.415,14,740,429.419,1.811,5,0.451,0.72,1.0,0.2058032348708108,0.20610307723939414,0.13092831197313412,0.09749160441367967,0.16008155712425468
EOS-3-04986,c1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)nc2)ccn1,LMPOEBBTCKRUMK-UHFFFAOYSA-N,3,1,0.269,94,874,430.435,3.162,6,0.415,0.8,0.999,0.09690905352614626,0.0932509766294291,0.3203430196696594,0.32972380234391063,0.21005671304228635
EOS-3-04987,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)cn1,GCYKLXYEFDPCSB-UHFFFAOYSA-N,3,1,0.29,70,957,431.463,3.711,6,0.419,0.84,1.0,0.03187752724282092,0.020731958056336097,0.47382804468507983,0.44125659653210886,0.24192353162908642
EOS-3-04988,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)c5)no4)n23)cc1,IPDAWZZUCUVIAC-UHFFFAOYSA-N,3,1,0.424,62,837,417.816,3.261,5,0.475,0.87,1.0,0.17210095264203962,0.2466246316222329,0.334975327256528,0.3875676787060517,0.28531714755671306
EOS-3-04989,NC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4)n23)c(Cl)c1,MWDGLTUBSIFDAK-UHFFFAOYSA-N,3,1,0.385,83,533,444.857,4.412,5,0.442,0.81,0.995,0.26835891988211913,0.40005825508875337,0.8115105201836749,0.8458724556233295,0.5814500376944691
EOS-3-04990,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4F)n23)cc1,KVJGLZWCXDZWPP-UHFFFAOYSA-N,3,1,0.337,52,295,453.441,2.737,6,0.403,0.77,1.0,0.21153450757316153,0.17946850798437394,0.1841374820094579,0.24186998834898224,0.2042526214789939
EOS-3-04991,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4cc(F)ccn4)n23)cc1F,XFXHFZMPLHVVQH-UHFFFAOYSA-N,3,1,0.33,74,768,446.421,2.892,5,0.455,0.7,1.0,0.1921389897882256,0.20611164416421082,0.4943886642450826,0.46017236652731136,0.3382029161812076
EOS-3-04992,N#Cc1ncc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1Cl,UNFJISSHSFPNCK-UHFFFAOYSA-N,3,1,0.692,90,305,428.786,3.892,4,0.459,0.81,1.0,0.9768778699198136,0.972714344458913,0.9604122404221781,0.9442721540675759,0.9635691522171201
EOS-3-04993,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(C(F)F)cn4)n23)cn1,BLJRITXTRCTZSM-UHFFFAOYSA-N,3,1,0.552,68,127,425.399,2.5,4,0.485,0.71,1.0,0.5162600233020355,0.4408967856898088,0.459898224933178,0.30800664793365773,0.43126542046467
EOS-3-04994,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnn(C)c5)cn4)n23)cn1,SIDQGZWXCAKIAM-UHFFFAOYSA-N,3,1,0.362,85,290,425.456,1.932,5,0.457,0.75,1.0,0.05914604893427455,0.05827222260297444,0.13384106641080118,0.06605955726132548,0.0793297238023439
EOS-3-04995,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cc1,LVLRGMRCCYVULG-UHFFFAOYSA-N,3,1,0.333,25,508,452.457,3.188,6,0.405,0.77,1.0,0.2604002467274347,0.31318963744774175,0.38767048180385166,0.41280583921595504,0.3435165512987458
EOS-3-04996,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccc(F)cn5)ccn4)n23)cn1,PXGPXIOCGBJGBB-UHFFFAOYSA-N,3,1,0.406,85,290,426.415,2.472,5,0.458,0.69,1.0,0.26584881091083545,0.1921475567130423,0.29836885751490644,0.2803954492495374,0.25919016859708044
EOS-3-04997,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cc4)n23)cc1,JUHPUUGSALMYQI-UHFFFAOYSA-N,3,1,0.383,62,3,424.439,4.019,5,0.471,0.79,1.0,0.30065622644095674,0.2618309231718182,0.7322407648550476,0.6623774929751216,0.4892763518607361
EOS-3-04998,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccnc(Cl)c5)ncn4)n23)cc1,TUBYNKUXTKDMSZ-UHFFFAOYSA-N,3,1,0.376,14,357,456.897,3.247,5,0.404,0.78,1.0,0.25494311561921734,0.21586937153039545,0.4239856761017065,0.36214104585018164,0.31423480227537526
EOS-3-04999,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cnc(Cl)nc5)ncn4)n23)cc1,UBNWYXRYQATPOU-UHFFFAOYSA-N,3,1,0.382,85,357,457.885,2.642,5,0.399,0.76,1.0,0.23071585223768076,0.2158779384552121,0.2799756699335207,0.20971831951202796,0.23407194503461037
EOS-3-05000,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)nc4)n23)cc1,FEDDCDJGYRKXOL-UHFFFAOYSA-N,3,1,0.494,89,863,465.477,2.51,6,0.385,0.82,1.0,0.454869440065794,0.1470855321773696,0.05088753341100678,0.052609485299157016,0.17636299773833186
EOS-3-05001,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)c1,QIBRKRBOEOAUGK-UHFFFAOYSA-N,3,1,0.307,39,972,436.414,3.03,6,0.414,0.76,1.0,0.0044548009046672605,0.08381879240627785,0.3537797272291138,0.42864608320197384,0.2176748509355082
EOS-3-05002,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4)n23)nc1,CLNSTTYFBYAAPB-UHFFFAOYSA-N,3,1,0.406,68,457,454.372,2.432,4,0.44,0.71,1.0,0.5526009183743403,0.4141251456377219,0.8383506956342951,0.6067524501404976,0.6029573024467137
EOS-3-05003,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ccccn5)cn4)n23)cc1,LZQYVCLZFMNGNW-UHFFFAOYSA-N,3,1,0.419,14,886,421.464,3.132,5,0.451,0.82,1.0,0.11490816256596532,0.07334144335549311,0.28377938455212115,0.23019326982386404,0.1755555650743609
EOS-3-05004,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(C)cn5)cn4)n23)cc1,CCFDAYFSJVOQCL-UHFFFAOYSA-N,3,1,0.467,89,943,453.466,2.285,5,0.411,0.77,1.0,0.4712751010897128,0.21102049208416146,0.1459975327256528,0.05689294770749092,0.22129651840175452
EOS-3-05005,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cncnc5)nc4)n23)cc1,WYCPYAJDVVUBME-UHFFFAOYSA-N,3,1,0.309,94,761,434.427,1.896,6,0.404,0.77,1.0,0.12551401548900007,0.07682818175587691,0.07042868891782605,0.08597765746007813,0.0896871359056953
EOS-3-05006,Cc1nc(-c2cccc(F)c2)c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)s1,GLHKEXXRIQVOPX-UHFFFAOYSA-N,3,1,0.406,62,3,430.468,4.128,5,0.462,0.81,1.0,0.09691762045096292,0.2361387156466315,0.4239942430265232,0.41905969433212253,0.2940275683640601
EOS-3-05007,Cc1ncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc1C,URJCWPJBXIQEHR-UHFFFAOYSA-N,3,1,0.446,63,66,416.445,2.064,5,0.507,0.8,1.0,0.27904187512850387,0.112517990542115,0.010100404358851347,0.0067507367555342335,0.1021027516962511
EOS-3-05008,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cn(C)nc5C)c4)n23)cc1F,QRGJBMOBWOYHNT-UHFFFAOYSA-N,3,1,0.41,14,319,455.497,3.59,5,0.437,0.78,1.0,0.23895723391131518,0.21102905900897814,0.532571448152971,0.4095418408608046,0.3480248954835172
EOS-3-05009,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4F)n23)cn1,VLPNBMGPAPKLBX-UHFFFAOYSA-N,3,1,0.363,62,204,451.465,3.947,6,0.435,0.79,0.999,0.22814577479268042,0.24663319854704954,0.32035158659447605,0.4318929477074909,0.3067558769104242
EOS-3-05010,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(F)cn5)cn4)n23)cc1,ASORQHPYQOECGT-UHFFFAOYSA-N,3,1,0.527,7,408,443.402,1.855,5,0.415,0.77,1.0,0.6610239188540882,0.31838119388664243,0.18731581111644163,0.13067987115345076,0.32435019875265575
EOS-3-05011,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cc(-c4cnc(F)cn4)ccn3)n12,QYXHJZWWUQKBBF-UHFFFAOYSA-N,3,1,0.347,74,274,426.415,2.857,5,0.468,0.73,1.0,0.13390960180933453,0.17526214789939004,0.43100198752655744,0.34568398327736277,0.2714644301281612
EOS-3-05012,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnc(C)c5)cc4F)n23)cn1,AXAWXNVEFIAVIQ-UHFFFAOYSA-N,3,1,0.341,82,204,440.442,3.117,5,0.457,0.72,1.0,0.2222688643684463,0.2670310465355356,0.434959906791858,0.3621496127749983,0.32160235761770956
EOS-3-05013,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)c(F)c1,BQTXBKFFXDEOBZ-UHFFFAOYSA-N,3,1,0.402,96,680,429.39,3.292,5,0.439,0.78,1.0,0.1921475567130423,0.2930916318278391,0.7585840586663012,0.7268436022205469,0.4926667123569324
EOS-3-05014,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cocn5)c4)n23)cc1,KQVDPVZBYIVZIM-UHFFFAOYSA-N,3,1,0.489,89,656,453.462,3.313,6,0.398,0.83,1.0,0.4223665273113563,0.10607566307998081,0.22922520731958057,0.21576656843259542,0.24335849153587827
EOS-3-05015,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nn4)n23)nc1,YABUEGKTNOLKJB-UHFFFAOYSA-N,3,1,0.317,33,647,450.466,1.916,6,0.411,0.74,0.951,0.05385168939757385,0.03034404770063738,0.03034404770063738,0.04340004112123912,0.039484956480021934
EOS-3-05016,N#Cc1cc(-c2noc(-c3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)n2)ccc1F,AMJSSRKLZCFRRD-UHFFFAOYSA-N,3,1,0.427,96,216,427.355,3.217,5,0.457,0.83,1.0,0.3313258172846275,0.2110376259337948,0.604782057432664,0.5305325200466041,0.4194195051744226
EOS-3-05017,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)cc1,PVRXFAHFWNPIEO-UHFFFAOYSA-N,3,1,0.354,3,39,438.43,2.974,6,0.417,0.78,1.0,0.01865019532588582,0.16272873689260503,0.3385820026043451,0.39385580152148586,0.22845418408608048
EOS-3-05018,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5C)c4)n23)nc1,OTPMMGLEWSLBKB-UHFFFAOYSA-N,3,1,0.39,89,348,452.478,2.89,5,0.418,0.78,1.0,0.40412754437667053,0.12205297786306628,0.3090775135357412,0.1732746213419231,0.2521331642793503
EOS-3-05019,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)nn1,BACGSXYFIJWJPW-UHFFFAOYSA-N,3,1,0.338,25,764,434.467,3.049,6,0.42,0.77,1.0,0.05386025632239051,0.0229936262079364,0.2363443218422315,0.23595881022548146,0.13728925364950997
EOS-3-05020,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-c5cccnn5)nn4)n23)cc1,NSLYUTOFMOORJP-UHFFFAOYSA-N,3,1,0.522,72,398,453.466,2.019,5,0.393,0.76,1.0,0.5661280926598589,0.26183949009663493,0.10312007401823041,0.05831505722705777,0.2473506785004455
EOS-3-05021,NCCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)nc1,OQVZDBPWTGZDJS-UHFFFAOYSA-N,3,1,0.327,76,776,455.457,2.138,5,0.397,0.79,0.995,0.257581728462751,0.16273730381742169,0.19764752244534303,0.17328318826673977,0.1978124357480639
EOS-3-05022,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)cc4OC)n23)cc1,QGGZSUGPNCXSEO-UHFFFAOYSA-N,3,1,0.366,62,124,439.479,3.227,5,0.451,0.75,1.0,0.30332054005894044,0.05051915564389007,0.41242889452402165,0.21840518127612912,0.24616844287574535
EOS-3-05023,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3nc(C)n(-c4ccc(F)c(F)c4)n3)n12,URSVMKBEYKYDAO-UHFFFAOYSA-N,3,1,0.373,22,681,446.421,3.033,5,0.454,0.73,0.7,0.055539373586457406,0.16274587074223837,0.37644781029401686,0.3585600712768145,0.2383232814748818
EOS-3-05024,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)cc2)c(C)n1,QPACEBSZHQAVML-UHFFFAOYSA-N,3,1,0.354,82,336,437.507,4.155,5,0.45,0.82,1.0,0.20581180179562744,0.132427523816051,0.5325800150777876,0.3014700842985402,0.29307235624700156
EOS-3-05025,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)nc4)n23)cc1,WEXXGTLBMOOKCZ-UHFFFAOYSA-N,3,1,0.329,42,106,432.451,3.106,6,0.418,0.79,1.0,0.10441367966554725,0.046886779521622915,0.22923377424439723,0.2240250839558632,0.15113982934685766
EOS-3-05026,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5C)c4)n23)cc1,IJNAKOPFGBWXAX-UHFFFAOYSA-N,3,1,0.5,89,637,451.49,3.495,5,0.421,0.81,1.0,0.5318603933931876,0.19215612363785894,0.5014563772188335,0.3172503598108423,0.3856808135151806
EOS-3-05027,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)n5)c4)n23)cc1,WJCWGRQDYXMLGO-UHFFFAOYSA-N,3,1,0.506,89,656,441.455,1.92,5,0.424,0.78,1.0,0.4764495236789802,0.1511291206908368,0.20822767459392777,0.09166609553834555,0.2318681036255226
EOS-3-05028,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5ccc(F)nc5)c4)n23)cn1,HVBBICTYSCMKMF-UHFFFAOYSA-N,3,1,0.365,96,680,429.39,3.292,5,0.439,0.74,1.0,0.2058203687204441,0.21104619285861148,0.7113289013775616,0.7110804605578781,0.45981898087862383
EOS-3-05029,CNC(=O)c1ccc(-c2nnc3cncc(OCc4csc(-c5cccnn5)n4)n23)cc1,OVTWRZJWFXAKDI-UHFFFAOYSA-N,3,1,0.489,89,398,444.48,2.643,5,0.424,0.79,1.0,0.42935713796175723,0.2721712014255363,0.10312864094304708,0.05139298197519018,0.2140124905763827
EOS-3-05030,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(C(F)(F)F)c5)n4)n23)cc1,GVTROYUMCLAUGC-UHFFFAOYSA-N,3,1,0.371,29,704,462.395,3.428,5,0.434,0.79,1.0,0.3211054759783428,0.337219861558495,0.8676410115824823,0.75064251936125,0.5691522171201425
EOS-3-05031,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)cc1,PIGKSIZMCYBBFY-UHFFFAOYSA-N,3,1,0.322,62,124,448.49,3.595,5,0.397,0.84,1.0,0.22227743129326297,0.08382735933109452,0.4979782057432664,0.38126242204098415,0.296336354602152
EOS-3-05032,Cn1ccnc1-c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nn1,MMPLHHVASUBYDK-UHFFFAOYSA-N,3,1,0.352,52,916,469.484,2.604,6,0.406,0.79,1.0,0.14201391268590227,0.16275443766705502,0.07484922212322664,0.11522513878418203,0.12371067781509149
EOS-3-05033,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c(F)c1,MDNZNQVHUYAYAA-UHFFFAOYSA-N,3,1,0.325,42,219,450.441,3.245,6,0.402,0.79,1.0,0.19476046878212597,0.28761736686998834,0.38395243643341787,0.4412651634569255,0.32689885888561443
EOS-3-05034,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cn4)n23)nc1,PJGWCVADNZWPNG-UHFFFAOYSA-N,3,1,0.312,25,219,450.441,3.245,6,0.402,0.79,1.0,0.18358919882119115,0.287625933794805,0.3127612912069084,0.4095504077856213,0.2983817079021315
EOS-3-05035,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)cc1,PZOKAIAVXXGYBH-UHFFFAOYSA-N,3,1,0.354,25,508,450.441,3.245,6,0.402,0.79,1.0,0.23896580083613186,0.3520749091905969,0.3313258172846275,0.4319015146323076,0.338567010485916
EOS-3-05036,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)c1,XMRNAFXEIHASCV-UHFFFAOYSA-N,3,1,0.365,25,791,450.441,3.245,6,0.402,0.79,1.0,0.16144369817010487,0.2618480570214516,0.30185559591529026,0.4128144061407717,0.2844904393119046
EOS-3-05037,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cc1,YYZXRLLRQIOAQC-UHFFFAOYSA-N,3,1,0.346,74,333,423.4,1.082,5,0.409,0.84,1.0,0.0177506682201357,0.009209444177917895,0.11379446233979851,0.0859862243848948,0.05668519978068673
EOS-3-05038,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5csnn5)nc4)n23)cc1,SWCKDVWNJHYJRR-UHFFFAOYSA-N,3,1,0.412,14,886,428.481,2.589,5,0.441,0.78,1.0,0.0702316496470427,0.039484956480021934,0.1309368788979508,0.10170653142348023,0.08559000411212392
EOS-3-05039,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)nc4)n23)cc1,GPNFGIPGNKZZKN-UHFFFAOYSA-N,3,1,0.305,9,725,436.414,3.235,6,0.418,0.76,1.0,0.29007607429237203,0.33722842848331164,0.4911932012884655,0.5267373723528203,0.4113087691042423
EOS-3-05040,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccncc5)s4)n23)cn1,DGTPIYQGDINVIA-UHFFFAOYSA-N,3,1,0.371,85,290,427.493,3.26,5,0.462,0.77,1.0,0.07825029127544376,0.09010691522171202,0.18732437804125832,0.13972654375985197,0.12385203207456652
EOS-3-05041,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)c1,OAXVJXYNCPJYBR-UHFFFAOYSA-N,3,1,0.31,64,144,435.426,3.635,6,0.417,0.8,0.807,0.009055239531217875,0.10288876704818038,0.2543862655061339,0.39097731478308545,0.1893268967171544
EOS-3-05042,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnnn5C)cc4)n23)cn1,ARFTXALPGAETTN-UHFFFAOYSA-N,3,1,0.482,61,941,428.416,1.529,5,0.441,0.82,1.0,0.39585189500376944,0.2312898362003975,0.04567884312247276,0.022865122335686383,0.1739214241655815
EOS-3-05043,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)s4)n23)cc1,FGXVXKWDTZZIJN-UHFFFAOYSA-N,3,1,0.517,89,656,443.492,3.248,5,0.429,0.8,1.0,0.5012936056473168,0.21105475978342814,0.21842231512576246,0.12445171681173325,0.26380559934206016
EOS-3-05044,Cc1nn(C)cc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cn1,VCIAVHYKYVXKCD-UHFFFAOYSA-N,3,1,0.585,89,398,440.467,2.573,5,0.43,0.76,1.0,0.3778784867384004,0.08030635323144404,0.25786443698170103,0.12446028373654992,0.21012739017202384
EOS-3-05045,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(C)C)nn4)n23)c(F)c1,UWVXENJKNMEBEN-UHFFFAOYSA-N,3,1,0.416,78,9,434.479,2.753,4,0.514,0.66,1.0,0.10686382016311424,0.21106332670824482,0.05089610033582345,0.011548214652868207,0.09509286546501268
EOS-3-05046,NC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)n5)nn4)n23)cc1F,WNIRMEWLCGCMSB-UHFFFAOYSA-N,3,1,0.34,22,997,435.81,2.325,5,0.429,0.73,0.97,0.0627784250565417,0.1752707148242067,0.33498389418134467,0.40955897471043795,0.24564800219313276
EOS-3-05047,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnn5)c4)n23)cc1,VBVOOELUCYYSNX-UHFFFAOYSA-N,3,1,0.483,89,707,425.412,1.716,5,0.429,0.77,1.0,0.5370776506065382,0.14709409910218627,0.24008806798711535,0.14928723185525325,0.26838676238777326
EOS-3-05048,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccnc(F)c5)n4)n23)c(C)c1,WZFRHGKCHNEIGD-UHFFFAOYSA-N,3,1,0.319,74,333,441.43,2.512,5,0.422,0.75,1.0,0.20311322047837707,0.19216469056267563,0.2687701322733192,0.2038499760126105,0.21697450483174557
EOS-3-05049,CCn1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,UBTQRWADLJXSCR-UHFFFAOYSA-N,3,1,0.358,52,916,464.533,3.553,6,0.395,0.84,1.0,0.07613426084572682,0.030352614625454046,0.09811698992529641,0.09750017133849634,0.07552600918374341
EOS-3-05050,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,KYJUUHCAURRWDL-UHFFFAOYSA-N,3,1,0.5,89,637,465.517,3.663,6,0.394,0.87,1.0,0.3847405935165513,0.13243609074086765,0.28748886299773835,0.2595606880954013,0.2660565588376397
EOS-3-05051,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cnnc(F)c5)ccn4)n23)cc1,BGPKJKXUNUJJFB-UHFFFAOYSA-N,3,1,0.336,52,582,452.453,3.342,6,0.435,0.77,1.0,0.19215612363785894,0.14710266602700295,0.3203601535192927,0.38127098896580086,0.26022248303748885
EOS-3-05052,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(C)n5)cc4)n23)cc1,HQMSHUJHBJGQCA-UHFFFAOYSA-N,3,1,0.368,62,3,420.476,4.188,5,0.471,0.87,1.0,0.18936330614762525,0.07335001028030978,0.5762627647179769,0.44442635871427594,0.320850609965047
EOS-3-05053,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,OPOZOACQKVFWPO-UHFFFAOYSA-N,3,1,0.456,18,324,430.859,3.313,5,0.404,0.8,1.0,0.7280344047700638,0.7924662463162223,0.4124374614488383,0.4444349256390926,0.5943432595435543
EOS-3-05054,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C#N)cc5F)cc4)n23)cc1,VBBCMMBONNSLAK-UHFFFAOYSA-N,3,1,0.423,62,472,448.461,4.496,5,0.437,0.87,1.0,0.354756356658214,0.40006682201357,0.9103214310191213,0.877989856761017,0.6357836166129807
EOS-3-05055,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nn(C)cc5C)cn4)n23)cn1,VPODGOCLLAGESF-UHFFFAOYSA-N,3,1,0.329,82,918,426.444,1.712,5,0.46,0.75,1.0,0.07024021657185936,0.06205023644712494,0.030352614625454046,0.010588719073401412,0.04330794667945994
EOS-3-05056,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccc5F)c4)n23)cn1,LRRHQBPVBCRTJO-UHFFFAOYSA-N,3,1,0.453,55,879,442.414,2.46,5,0.424,0.75,1.0,0.5946302515249127,0.37128195462956615,0.3459666917963128,0.28626379274895486,0.3995356726749366
EOS-3-05057,NC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5cnc(F)cn5)c4)n23)cn1,KPGFWHQLFQJNHB-UHFFFAOYSA-N,3,1,0.364,85,290,427.403,1.867,5,0.449,0.7,1.0,0.17776368994585703,0.15890788842437117,0.22549859502433006,0.19254163525460902,0.18867795216229183
EOS-3-05058,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)c(C)n5)ccn4)n23)cc1,UPAUIRORUIURFC-UHFFFAOYSA-N,3,1,0.495,89,731,470.468,3.029,5,0.402,0.85,1.0,0.6610324857789048,0.36650161058186553,0.327470701117127,0.1842145843328079,0.38480484545267635
EOS-3-05059,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncs5)c4)n23)cc1,KSQHYQWYHYCQBJ-UHFFFAOYSA-N,3,1,0.337,62,302,438.516,4.474,6,0.437,0.85,1.0,0.15074360907408677,0.05052772256870674,0.31659927352477557,0.38757624563086834,0.22636171269960936
EOS-3-05060,Cc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)nn1,IYFUCIBMZJCMGX-UHFFFAOYSA-N,3,1,0.295,33,432,450.466,2.301,6,0.427,0.75,1.0,0.0682612569392091,0.03344527448427113,0.02819374957165376,0.038465492426838464,0.04209144335549312
EOS-3-05061,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)c1,FLXQWVVJAAVSAD-UHFFFAOYSA-N,3,1,0.303,39,527,437.402,2.425,6,0.409,0.77,1.0,0.009063806456034542,0.10608423000479748,0.08388732780481119,0.17581899801247344,0.09371359056952916
EOS-3-05062,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)cc1,MDRRWZHYJZXFBY-UHFFFAOYSA-N,3,1,0.571,89,770,442.439,2.565,5,0.404,0.77,1.0,0.49133883901034886,0.1627630045918717,0.15238845863888698,0.07145671989582619,0.2194867555342334
EOS-3-05063,NC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccccc4)n23)c(F)c1F,ZYLIUKCOCHIGHI-UHFFFAOYSA-N,3,1,0.355,96,3,434.431,3.959,5,0.462,0.76,0.998,0.14753101226783633,0.2876345007196217,0.6076776780206977,0.6393838667671853,0.4205567644438353
EOS-3-05064,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cc1,WYAGKHQXWKWPBR-UHFFFAOYSA-N,3,1,0.588,89,744,428.477,3.593,5,0.443,0.81,1.0,0.45022616681516003,0.2158865053800288,0.4738366116098965,0.3552104036734974,0.37378992186964566
EOS-3-05065,N#Cc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1Cl,ANXAIFXSUUUVQK-UHFFFAOYSA-N,3,1,0.385,0,862,414.856,3.876,5,0.546,0.84,1.0,0.31115070934137484,0.43223562470015764,0.6435131245288191,0.7506510862860668,0.5343876362141046
EOS-3-05066,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)c1,SSROMJMBVPLUET-UHFFFAOYSA-N,3,1,0.314,94,342,433.439,2.501,6,0.412,0.78,1.0,0.09932492632444657,0.039493523404838596,0.09546981015694607,0.1492957987800699,0.0958960146665753
EOS-3-05067,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)nc4)n23)cn1,JLIYIRDGDNGCPG-UHFFFAOYSA-N,3,1,0.318,85,60,450.466,1.916,6,0.411,0.75,0.976,0.11185833733123159,0.030361181550270715,0.031534850250154206,0.04607292166403948,0.054956822698924
EOS-3-05068,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccnc(C)c5)ncn4)n23)cc1F,LALSQVIYOIOQFA-UHFFFAOYSA-N,3,1,0.378,14,357,454.469,3.041,5,0.435,0.75,1.0,0.34323384277979574,0.24664176547186623,0.419950654513056,0.30483688575149065,0.32866578712905214
EOS-3-05069,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)no4)n23)cc1,PMLXYOSENFNVDC-UHFFFAOYSA-N,3,1,0.394,74,837,418.804,2.656,5,0.439,0.87,1.0,0.2281543417174971,0.2565536974847509,0.21843088205057912,0.24187855527379892,0.23625436913165648
EOS-3-05070,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)nc4)n23)c(F)c1,RBWIYLUXNVYKMT-UHFFFAOYSA-N,3,1,0.363,85,60,427.403,1.867,5,0.449,0.71,0.996,0.16678945925570557,0.16659241998492222,0.32747926804194366,0.28040401617435406,0.23531629086423136
EOS-3-05071,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(C)nn5)s4)n23)cc1,HFUVDOMNQKCBIP-UHFFFAOYSA-N,3,1,0.329,74,333,429.469,2.435,5,0.462,0.73,1.0,0.07219347543005962,0.0582807895277911,0.05090466726064012,0.025400932081420052,0.05169496607497772
EOS-3-05072,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)no4)n23)cn1,GXQDAAMCMIHRKN-UHFFFAOYSA-N,3,1,0.386,82,155,433.819,2.311,5,0.423,0.78,0.825,0.23341443355493113,0.29807758207113977,0.07914125145637722,0.08599479130971147,0.1741570145980399
EOS-3-05073,Cc1ccc(-c2nnc3cncc(OCCc4cc(Br)ccc4F)n23)nn1,GDIXIJLMBQOHPB-UHFFFAOYSA-N,3,1,0.494,90,281,429.253,3.413,4,0.484,0.7,1.0,0.7033787951476937,0.7266893975738469,0.5293588513467206,0.5470324172435063,0.6266148653279419
EOS-3-05074,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)nc2)nc1,GOWDRIGMYJMEPZ-UHFFFAOYSA-N,3,1,0.297,76,387,437.402,2.63,6,0.441,0.73,0.977,0.1893718730724419,0.22638098828044684,0.22206325817284628,0.28344527448427115,0.23031534850250154
EOS-3-05075,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cn1,IODYIBXOSVOXLH-UHFFFAOYSA-N,3,1,0.305,70,392,432.451,3.106,6,0.418,0.78,1.0,0.12552258241381672,0.062058803371941605,0.1745510931396066,0.19497464190254266,0.1392767802069769
EOS-3-05076,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)cn2)n[nH]1,HBGFCXFSGWASGO-UHFFFAOYSA-N,3,1,0.363,85,357,429.419,2.109,5,0.436,0.8,0.798,0.11760674388321568,0.23129840312521419,0.2011171269960935,0.15722020423548763,0.17681061956000277
EOS-3-05077,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cccnc5)nn4)n23)c1,GGONTNSKDNLRQO-UHFFFAOYSA-N,3,1,0.329,10,543,448.425,3.301,6,0.4,0.78,0.994,0.1641508464121719,0.24665033239668288,0.2946251113700226,0.41592419984922213,0.2803376225070249
EOS-3-05078,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4ccccn4)cn3)n12,QQFAGHINIGQENH-UHFFFAOYSA-N,3,1,0.33,52,582,463.501,3.816,6,0.408,0.88,1.0,0.23897436776094852,0.08383592625591117,0.2292423411692139,0.21841374820094578,0.19261659584675483
EOS-3-05079,CCc1nc(-c2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)o1,CCIJTHJPHFGUEX-UHFFFAOYSA-N,3,1,0.34,96,523,445.87,3.823,5,0.435,0.77,0.948,0.23072441916249742,0.3423171818244123,0.19420361866904257,0.23596737715029814,0.2508031492015626
EOS-3-05080,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cc4Cl)n23)cn1,SGVBJCMZIGVBPK-UHFFFAOYSA-N,3,1,0.345,82,336,444.886,3.267,5,0.456,0.74,1.0,0.2115430744979782,0.24665889932149956,0.3949181001987527,0.35856863820163115,0.3029221780549654
EOS-3-05081,O=C(c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)cc1F)N1CCCCC1,LMAOAXSPCNVFCV-UHFFFAOYSA-N,3,1,0.435,0,345,466.467,4.48,5,0.434,0.86,0.99,0.20312178740319375,0.27217976835035296,0.07694811870331025,0.2862723596737715,0.20963050853265713
EOS-3-05082,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccccn5)n4)n23)cc1,MJWSWZHHCWUBGJ-UHFFFAOYSA-N,3,1,0.443,62,319,455.909,3.852,5,0.432,0.78,1.0,0.1893804399972586,0.25656226440956753,0.40575526009183743,0.3782211637310671,0.30747978205743265
EOS-3-05083,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)s2)cn1,GPMUNPLWLNGBQI-UHFFFAOYSA-N,3,1,0.389,85,357,427.493,3.308,5,0.461,0.76,1.0,0.16415941333698855,0.09011548214652869,0.2184394489753958,0.14430128161195258,0.1542539065177164
EOS-3-05084,O=C(c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)nc1)N1CCCC1,DZVTXKQHNWJOQP-UHFFFAOYSA-N,3,1,0.34,52,376,466.48,3.685,6,0.398,0.87,0.992,0.10687238708793091,0.1511376876156535,0.010108971283668014,0.08426427249674456,0.08809582962099924
EOS-3-05085,Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4C(F)F)n23)cn1,QBLWOEGGQYFSDG-UHFFFAOYSA-N,3,1,0.289,50,450,447.409,2.779,5,0.438,0.77,0.883,0.011942293194434926,0.10609279692961414,0.2507967240079501,0.18162737303817422,0.13761479679254335
EOS-3-05086,O=C1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5cnc(-c6cnccn6)nc5)n34)cc2)C1,VIXJMQVDHGFIIB-UHFFFAOYSA-N,3,1,0.327,82,800,463.461,2.12,6,0.393,0.8,1.0,0.0387482009457885,0.005422863408950723,0.00457473785210061,0.012807552600918374,0.01538833870193955
EOS-3-05087,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(C)nn5C)nn4)n23)cc1F,ULLCCXPTCNCWNR-UHFFFAOYSA-N,3,1,0.321,74,413,432.423,1.58,5,0.458,0.69,1.0,0.04467651291892262,0.12569392091015008,0.09103214310191214,0.06450037694469193,0.0814757384689192
EOS-3-05088,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)c(Cl)nn4)n23)nc1,MIZRBYCXXGTQRX-UHFFFAOYSA-N,3,1,0.435,68,457,464.795,2.587,4,0.478,0.69,0.999,0.5215201151394695,0.5535604139538072,0.7749811527654034,0.5947330546227126,0.6111986841203482
EOS-3-05089,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncs5)s4)n23)cc1,QHJRAJZFXJBLJO-UHFFFAOYSA-N,3,1,0.368,52,916,459.56,3.854,6,0.414,0.84,1.0,0.09200877253101226,0.046895346446439584,0.040949900623672125,0.0645089438695086,0.061090740867658144
EOS-3-05090,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)cc1,WWBWTBKDPMFLFI-UHFFFAOYSA-N,3,1,0.522,89,398,438.451,2.582,5,0.43,0.74,1.0,0.4335891988211911,0.22107806181892947,0.30908608046055785,0.1758275649372901,0.2848952265094921
EOS-3-05091,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)nc1,OHRRLUXEFJDFBO-UHFFFAOYSA-N,3,1,0.325,98,882,436.443,1.839,6,0.406,0.76,1.0,0.114916729490782,0.07683674868069358,0.04727229113837297,0.05140154890000685,0.07260682955246385
EOS-3-05092,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c(F)c1,WMVUYOLTWHCECY-UHFFFAOYSA-N,3,1,0.321,25,508,450.441,3.245,6,0.402,0.78,1.0,0.26315879651840174,0.3131982043725584,0.39492666712356933,0.45702830511959425,0.35707799328353096
EOS-3-05093,Fc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)n1,QSLFVWCCBMFYPG-UHFFFAOYSA-N,3,1,0.291,10,871,435.426,3.635,6,0.417,0.79,0.388,0.015103488451785347,0.13992358303063532,0.4240028099513399,0.5069306421766843,0.2714901309026112
EOS-3-05094,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnc(C)nn5)c4)n23)cc1,YBIHZWKNWUWZLR-UHFFFAOYSA-N,3,1,0.473,89,707,453.466,2.285,5,0.411,0.75,1.0,0.4502347337399767,0.17527928174902338,0.1710386539647728,0.07916695223082722,0.21892990542115004
EOS-3-05095,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nncn5C)nc(C)n4)n23)cc1F,DNAKJHCMOOCYLC-UHFFFAOYSA-N,3,1,0.33,74,768,444.434,1.851,5,0.445,0.71,0.999,0.24721574943458297,0.16660098690973887,0.09104071002672881,0.06606812418614215,0.1427313926392982
EOS-3-05096,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nn5)cn4)n23)cc1,NMRVJHRXDYMCSJ-UHFFFAOYSA-N,3,1,0.392,14,357,426.415,2.472,5,0.458,0.7,1.0,0.21968165307381263,0.139932149955452,0.3876790487286684,0.317258926735659,0.26613794462339796
EOS-3-05097,COc1cc(-c2cncnn2)cnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,FENMSCSWSKYATQ-UHFFFAOYSA-N,3,1,0.321,52,295,465.477,2.606,6,0.402,0.82,1.0,0.24418305804948257,0.08384449318072784,0.10313720786786375,0.1017150983482969,0.13321996436159278
EOS-3-05098,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C#Cc5cnccn5)cn4)n23)cc1,KKAIUHFYPSTJAB-UHFFFAOYSA-N,3,1,0.39,74,333,433.435,1.798,5,0.427,0.73,1.0,0.1587708176273045,0.08031492015626071,0.30909464738537457,0.18163593996299088,0.18245408128298266
EOS-3-05099,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccc(C#N)nn5)c4)n23)cn1,ATUXQBJNZXIFIV-UHFFFAOYSA-N,3,1,0.374,14,81,438.882,4.068,5,0.416,0.83,1.0,0.32625419779316017,0.45852751696251115,0.7037728736892606,0.7241621547529299,0.5531791857994655
EOS-3-05100,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)cc4F)n23)cn1,ORDYOTOYBTVDSW-UHFFFAOYSA-N,3,1,0.35,82,514,452.453,3.342,6,0.435,0.76,1.0,0.24419162497429922,0.24162154752929887,0.20462956617092729,0.29842882598862314,0.24721789116578713
EOS-3-05101,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)n1,ACWCOVLQKJOETI-UHFFFAOYSA-N,3,1,0.451,33,760,428.416,1.055,5,0.418,0.78,1.0,0.40005825508875337,0.12903502158865054,0.052703721472140364,0.02908470975258721,0.1527204269755329
EOS-3-05102,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)nc2)ccn1,BZRQEYPLIFITOK-UHFFFAOYSA-N,3,1,0.271,25,213,446.478,3.414,6,0.405,0.81,1.0,0.055547940511274076,0.05828935645260777,0.24717291481049963,0.2567336029059009,0.1544359536700706
EOS-3-05103,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncccc4-c4cn(C)nn4)n23)cc1,BLZGTTFSQAYIEK-UHFFFAOYSA-N,3,1,0.479,89,926,441.455,1.92,5,0.424,0.78,1.0,0.2683674868069358,0.17061030772393943,0.12270406414913303,0.05690151463230759,0.15464584332807896
EOS-3-05104,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4F)n23)cc1,FDORDEWJBVHHGI-UHFFFAOYSA-N,3,1,0.384,62,341,439.45,4.75,6,0.427,0.92,1.0,0.2845418408608046,0.22638955520526352,0.6310225481461175,0.7025306695908436,0.4611211534507573
EOS-3-05105,COc1cc(C(F)(F)F)ccc1Oc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,HOFMFAUIZATAAW-UHFFFAOYSA-N,3,1,0.548,0,536,469.423,4.503,5,0.447,0.89,1.0,0.882658830786101,0.740739154273182,0.9113408950723049,0.8053594681653073,0.8350245870742239
EOS-3-05106,CCCc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,NNESPDLJKSBFSX-UHFFFAOYSA-N,3,1,0.381,63,334,413.485,3.017,5,0.5,0.87,1.0,0.17485093550818998,0.08032348708107738,0.02592351449523679,0.033094030566787745,0.07854799191282297
EOS-3-05107,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cccc(-c4ncc(Cl)cn4)n3)n12,MOBJHRHASZZLFJ-UHFFFAOYSA-N,3,1,0.35,74,155,442.87,3.371,5,0.452,0.72,0.984,0.17210951956685627,0.21589507230484545,0.27998423685833734,0.27152011513946955,0.23487723596737714
EOS-3-05108,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)ncn5C)cc4C)n23)cc1,FMSQKJFLWIBYOQ-UHFFFAOYSA-N,3,1,0.329,62,124,437.507,3.835,5,0.461,0.76,1.0,0.2031303543280104,0.054211500239873894,0.4057638270166541,0.23900006853539854,0.22552643752998425
EOS-3-05109,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cc(F)cnn5)ccc4F)n23)cn1,PBXBHYRNVGXZST-UHFFFAOYSA-N,3,1,0.349,96,46,430.378,2.687,5,0.465,0.68,1.0,0.2168974025083956,0.2565708313343842,0.5495425262147899,0.5666078404495922,0.3974046501267905
EOS-3-05110,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(OC)cc(-c5cnco5)c4)n23)cc1,LYZFLJVEEQZRJT-UHFFFAOYSA-N,3,1,0.37,62,124,426.436,3.482,5,0.458,0.81,1.0,0.4314731683914742,0.15114625454047015,0.5695462956617092,0.3653365088067987,0.37937555685011304
EOS-3-05111,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)cn1,AQRYKUZMMKDUFT-UHFFFAOYSA-N,3,1,0.517,89,398,466.505,3.058,6,0.392,0.85,1.0,0.27609485299157016,0.07335857720512645,0.1976560893701597,0.162523130697005,0.1774081625659653
EOS-3-05112,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnncn5)nc4)n23)cc1,JYKALTQFRRZNFZ-UHFFFAOYSA-N,3,1,0.541,89,707,425.412,1.716,5,0.429,0.76,1.0,0.619894112809266,0.13604276608868482,0.25080529093276677,0.14930436570488656,0.289011633883901
EOS-3-05113,COc1cccnc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,NNTXAZGLUDHVKR-UHFFFAOYSA-N,3,1,0.517,63,536,416.441,2.666,5,0.494,0.87,1.0,0.4086423137550545,0.15115482146528683,0.1197827427866493,0.08600335823452813,0.19139580906037967
EOS-3-05114,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)c(-c2cccnc2)n1,BHNJLRCGAGYJNF-UHFFFAOYSA-N,3,1,0.314,82,204,448.49,3.511,6,0.438,0.76,1.0,0.13139949283805086,0.054220067164690564,0.08870193955177849,0.12212151326159962,0.09911075320402987
EOS-3-05115,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)cn2)cn1,RJOVGJRXEWQLEL-UHFFFAOYSA-N,3,1,0.3,10,151,437.442,3.579,6,0.419,0.8,1.0,0.0012422040984168322,0.10289733397299705,0.5729730655883764,0.5947416215475293,0.3179635563018299
EOS-3-05116,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1,HGNZUSTZDGXUJS-UHFFFAOYSA-N,3,1,0.268,86,654,434.427,1.896,6,0.404,0.77,0.999,0.04029024741278871,0.039502090329655265,0.042414844767322324,0.06134774861215818,0.04588873278048112
EOS-3-05117,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)n1,CMQHNGLHPYHJOH-UHFFFAOYSA-N,3,1,0.411,33,53,467.493,2.453,6,0.387,0.84,1.0,0.2031389212528271,0.062067370296758274,0.06420053457610855,0.05691008155712426,0.09657922692070454
EOS-3-05118,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,BFJWUYGEYJKAJC-UHFFFAOYSA-N,3,1,0.505,89,512,468.481,1.848,6,0.379,0.87,1.0,0.3456754163525461,0.0695634295113426,0.02702008087177027,0.029967103008703994,0.11805650743609074
EOS-3-05119,Cc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cc(F)cc(C#N)c3)n12,KBTCOXIJRPXWCO-UHFFFAOYSA-N,3,1,0.321,63,688,413.416,3.065,5,0.551,0.83,0.992,0.20875882393256118,0.23614728257144815,0.279992803783154,0.40004968816393666,0.28123714961277496
EOS-3-05120,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)n5)cn4)n23)cc1C,QKXJWUCPEWKMDF-UHFFFAOYSA-N,3,1,0.369,74,155,440.442,3.117,5,0.428,0.77,1.0,0.21155164142279487,0.1879154958536084,0.36484819409224867,0.2804125830991707,0.2611819786169557
EOS-3-05121,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(Cl)c(F)cc4CO)n23)c(F)c1,BROCPIJTXFDOEF-UHFFFAOYSA-N,3,1,0.35,61,917,454.828,3.073,5,0.444,0.74,0.944,0.4064663148516209,0.5261291206908368,0.7660544171064355,0.8280789527791104,0.6316822013570009
EOS-3-05122,O=C(NC1CCC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)cc1Cl,UCHLYXYAVSWFFF-UHFFFAOYSA-N,3,1,0.381,66,685,468.895,4.65,5,0.445,0.88,1.0,0.2928431910081557,0.3761908025495168,0.5529778630662737,0.705100747035844,0.4817781509149476
EOS-3-05123,Fc1cc(-c2nncnn2)ccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,MUWFQVSZXNSZSH-UHFFFAOYSA-N,3,1,0.662,43,258,434.822,3.41,5,0.414,0.78,1.0,0.9800818998012474,0.9792509080940306,0.7218919196765129,0.7851329586731547,0.8665894215612364
EOS-3-05124,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,ZCFIVTDCQBFELI-UHFFFAOYSA-N,3,1,0.308,8,608,434.427,1.896,6,0.404,0.75,1.0,0.07825885820026043,0.07336714412994312,0.03538139949283805,0.0447107806181893,0.057929545610307734
EOS-3-05125,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)c1,FSLOZKQAKNNGLS-UHFFFAOYSA-N,3,1,0.32,42,213,433.439,2.501,6,0.412,0.77,1.0,0.09692618737577958,0.05053628949352341,0.09812555685011308,0.13068843807826744,0.09406911794942088
EOS-3-05126,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(Cl)ncn5)cn4)n23)cc1,XJIHNUIPXVMNLM-UHFFFAOYSA-N,3,1,0.387,14,357,456.897,3.247,5,0.404,0.76,1.0,0.20876739085737783,0.19676512918922623,0.4199592214378727,0.34894798163251317,0.29360993077924746
EOS-3-05127,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccsc5)n4)n23)cc1,APAJRNJEZNTJDC-UHFFFAOYSA-N,3,1,0.456,89,408,443.492,3.248,5,0.429,0.75,1.0,0.47409361935439653,0.24163011445411556,0.26877869919813585,0.16253169762182168,0.28675853265711737
EOS-3-05128,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,HMMJUBSOFZXSQA-UHFFFAOYSA-N,3,1,0.54,89,512,467.493,2.453,6,0.387,0.87,1.0,0.37788705366321707,0.10610136385443081,0.07043725584264272,0.08427283942156123,0.15967462819546296
EOS-3-05129,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ncnc(-c4cccc(F)c4)n3)n12,SVXQVYWOWWQAFI-UHFFFAOYSA-N,3,1,0.378,29,704,426.415,2.857,5,0.468,0.73,1.0,0.19476903570694262,0.24666746624631622,0.3166078404495922,0.2952676307312727,0.26332799328353096
EOS-3-05130,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnnn5C)ccn4)n23)cc1,JPSMLYBXCMPLRM-UHFFFAOYSA-N,3,1,0.495,89,926,441.455,1.92,5,0.424,0.77,1.0,0.2845504077856213,0.1290435885134672,0.18073641285724076,0.0842814063463779,0.1696529538756768
EOS-3-05131,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nn[nH]n5)c(F)c4)n23)cn1,CDVXSPCOZKRUBK-UHFFFAOYSA-N,3,1,0.506,36,6,446.406,1.444,5,0.395,0.82,1.0,0.6116441642108149,0.5079758070043178,0.19063977794530876,0.134929065862518,0.36129720375573987
EOS-3-05132,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)c5cccc(F)c5)s4)n23)nc1,OKIPSOIKJWQIGS-UHFFFAOYSA-N,3,1,0.371,96,776,444.451,3.384,5,0.416,0.8,0.979,0.21401034884517853,0.3132067712973751,0.3839610033582345,0.3653450757316154,0.3191307998081009
EOS-3-05133,Cc1nn(C)c(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,KOUVOJRAKUCKOI-UHFFFAOYSA-N,3,1,0.317,52,582,464.533,3.763,6,0.425,0.85,1.0,0.07220204235487629,0.033453841409087796,0.08871050647659516,0.08255945445822767,0.06923146117469672
EOS-3-05134,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccs5)cn4)n23)c1,PHYQQFHFKQDZFJ-UHFFFAOYSA-N,3,1,0.28,25,213,437.492,3.772,6,0.414,0.81,1.0,0.04321156877527243,0.08704852306216161,0.18074497978205742,0.25049688163936673,0.14037548831471452
EOS-3-05135,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ncc(Cl)cc5F)c4)n23)cc1,AADYZWMJLQJVII-UHFFFAOYSA-N,3,1,0.404,14,319,459.872,3.731,5,0.428,0.76,1.0,0.3480484545267631,0.31838976081145914,0.6435216914536358,0.6365653485025016,0.48663131382358993
EOS-3-05136,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)cc1,DANBMWDPLPGPCT-UHFFFAOYSA-N,3,1,0.333,25,866,437.431,1.234,6,0.395,0.75,1.0,0.14471249400315264,0.0964721403604962,0.02002090329655267,0.024450003426769926,0.07141388527174286
EOS-3-05137,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cc4)n23)cc1,YNPLYPPCEFXAFE-UHFFFAOYSA-N,3,1,0.387,62,3,424.439,4.019,5,0.441,0.85,1.0,0.3033291069837571,0.27729422246590363,0.777465560962237,0.7051093139606607,0.5157995510931396
EOS-3-05138,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cc2)o1,CPKFNNMBZBAHRP-UHFFFAOYSA-N,3,1,0.3,98,424,436.439,3.007,6,0.41,0.77,1.0,0.11492529641559866,0.08705708998697828,0.11380302926461518,0.10389966417654718,0.10492126996093482
EOS-3-05139,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(F)cn5)cn4)n23)c(F)c1,BQSNHZWCWQHNDM-UHFFFAOYSA-N,3,1,0.407,50,845,431.366,2.082,5,0.456,0.69,1.0,0.20050887533411008,0.26703961346035227,0.412446028373655,0.387584812555685,0.3168948324309506
EOS-3-05140,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccsc5)s4)n23)cc1,XSGGZQGUENIBBS-UHFFFAOYSA-N,3,1,0.34,74,295,445.533,3.931,6,0.44,0.85,1.0,0.08963573435679528,0.04310019875265575,0.03807998081008841,0.07735933109451032,0.06204381125351244
EOS-3-05141,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5C(F)F)no4)n23)cn1,LMTVQWXRHDMRNN-UHFFFAOYSA-N,3,1,0.347,82,204,448.393,3.201,5,0.435,0.77,1.0,0.254951682544034,0.2980861489959564,0.3648567610170653,0.3014786512233569,0.30484331094510314
EOS-3-05142,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)cc1C,SFWLLLRIXSUKID-UHFFFAOYSA-N,3,1,0.329,62,3,426.505,4.25,5,0.464,0.82,1.0,0.15603796861078748,0.06957199643615927,0.49120176821328215,0.3842608457268179,0.2752681447467617
EOS-3-05143,CNC(=O)c1ccc(-c2nnc3cncc(OCc4csc(-c5cscn5)n4)n23)cc1,ACEILMJRCOSFNP-UHFFFAOYSA-N,3,1,0.523,89,268,449.521,3.31,5,0.424,0.79,1.0,0.445325885820026,0.3183983277362758,0.10575011993694744,0.05141011582482352,0.2302211123295182
EOS-3-05144,Cc1cnc(-c2cc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cnc2F)cn1,MJPXYHDGHOIOLM-UHFFFAOYSA-N,3,1,0.376,85,357,440.442,2.781,5,0.417,0.74,1.0,0.18938900692207525,0.14339318758138578,0.41245459529847167,0.2984373929134398,0.26091854567884315
EOS-3-05145,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccn5C)c4)n23)cc1F,KGYRYLTZMCONDG-UHFFFAOYSA-N,3,1,0.463,16,788,458.457,2.665,5,0.416,0.8,1.0,0.5771537248989103,0.35707799328353096,0.4124631622232883,0.2744585703515866,0.405288362689329
EOS-3-05146,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cc1,XKLZEYMCMMJMHF-UHFFFAOYSA-N,3,1,0.565,89,770,452.478,2.972,5,0.4,0.79,1.0,0.5270029470221369,0.16660955383455556,0.20463813309574394,0.10172366527311356,0.2499935748063875
EOS-3-05147,Cn1nnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,NKOILCXTXCOQHC-UHFFFAOYSA-N,3,1,0.321,33,760,455.442,1.456,6,0.398,0.83,1.0,0.3237098211226098,0.11252655746693167,0.009620656569117949,0.009115208004934549,0.11374306079089849
EOS-3-05148,CONC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cc1F,UVQVZEJMFRWKPF-UHFFFAOYSA-N,3,1,0.298,74,997,431.391,1.864,5,0.418,0.76,1.0,0.09449318072784593,0.13994071688026866,0.3274878349667603,0.2626961825783017,0.20615447878829413
EOS-3-05149,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccc5C)nc4)n23)cc1,WQJKMCWGDWXXPI-UHFFFAOYSA-N,3,1,0.37,62,3,438.466,4.327,5,0.452,0.81,1.0,0.26837605373175244,0.28764306764443837,0.747344253306833,0.6508035775478035,0.48854173805770684
EOS-3-05150,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cncnn5)n4)n23)cc1F,YSLMYCAMSARIRR-UHFFFAOYSA-N,3,1,0.364,52,916,467.468,2.66,6,0.404,0.77,1.0,0.18633061476252485,0.17061887464875608,0.1371050647659516,0.20385854293742717,0.1744782742786649
EOS-3-05151,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(F)cc(F)c4CCO)n23)cc1,KEFIYQILPIKNTQ-UHFFFAOYSA-N,3,1,0.41,0,646,449.461,3.087,5,0.452,0.79,0.693,0.37312384346514976,0.2670481803851689,0.5462613940100062,0.6034113494619971,0.44746119183058053
EOS-3-05152,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)c(C)nn5C)nn4)n23)cc1F,IAHFEGJARHGFAX-UHFFFAOYSA-N,3,1,0.37,74,768,461.436,2.595,5,0.437,0.74,0.999,0.25759029538756767,0.2466760331711329,0.23635288876704819,0.2068055650743609,0.2368561956000274
EOS-3-05153,CNC(=O)c1ccc(-c2nnc3cncc(-c4sc(C)nc4-c4ccc(F)cc4)n23)nc1,QNTOQTMOBBIAOH-UHFFFAOYSA-N,3,1,0.35,96,523,445.483,3.784,5,0.452,0.74,0.995,0.10927969296141457,0.26705674730998563,0.24360050716194914,0.2302018367486807,0.2125346960455075
EOS-3-05154,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)cc1,MKMXXDUWPIZYCD-UHFFFAOYSA-N,3,1,0.757,66,305,438.316,3.781,4,0.424,0.82,1.0,0.8061047906243575,0.8781354944829004,0.984887944623398,0.9514341032143102,0.9051405832362415
EOS-3-05155,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nn1,PLELNZAYFOKFLL-UHFFFAOYSA-N,3,1,0.443,89,398,467.493,2.547,6,0.387,0.84,1.0,0.29285175793297236,0.09648070728531287,0.05469981495442396,0.04608148858885614,0.12252844219039133
EOS-3-05156,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnn(CC(F)F)c4)n23)cc1F,RPBWFXJVZHAZST-UHFFFAOYSA-N,3,1,0.394,66,306,415.379,2.342,4,0.522,0.81,1.0,0.22528442190391337,0.287651634569255,0.6015951614008636,0.5000599684737167,0.40364779658693717
EOS-3-05157,N#Cc1cccc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)c1,FRMKXNGNCPOWSC-UHFFFAOYSA-N,3,1,0.326,30,195,441.458,3.973,6,0.407,0.8,1.0,0.00660509903365088,0.07337571105475979,0.5854550750462614,0.6158933589198822,0.32033231101363857
EOS-3-05158,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)no4)n23)s1,VBJZYRFAYGGCJS-UHFFFAOYSA-N,3,1,0.31,50,155,424.833,2.717,5,0.434,0.83,0.542,0.1447210609279693,0.14340175450620246,0.05091323418545679,0.08256802138304434,0.10540101775066821
EOS-3-05159,OCc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(C(F)(F)F)nc3)n12,UUCXUFDTCYYAPU-UHFFFAOYSA-N,3,1,0.537,68,900,436.781,3.325,4,0.512,0.69,1.0,0.942747241450209,0.95007196216846,0.939705983140292,0.8710506476595161,0.9258939586046193
EOS-3-05160,N#Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)nc1,XXONZOHLJPTNRK-UHFFFAOYSA-N,3,1,0.482,13,412,444.817,4.1,5,0.407,0.85,1.0,0.9250993763278733,0.9581077376464944,0.8186639024055925,0.8261513946953601,0.8820056027688301
EOS-3-05161,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnnc(-c5cccnn5)c4)n23)cc1,RTWLSTKSZFNXEM-UHFFFAOYSA-N,3,1,0.378,74,740,423.44,1.989,5,0.455,0.71,1.0,0.19216469056267563,0.05829792337742444,0.1679545610307724,0.11035055856349804,0.1321919333835926
EOS-3-05162,COc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)nn1,KNKNNHSECOKWLZ-UHFFFAOYSA-N,3,1,0.353,67,39,450.466,2.843,6,0.394,0.79,1.0,0.0432201357000891,0.05830649030224111,0.18733294496607497,0.159918785552738,0.1121945891302858
EOS-3-05163,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(N)=O)c(F)c4)n23)cn1,IZMPGXWTALTOSI-UHFFFAOYSA-N,3,1,0.343,61,768,415.392,1.887,5,0.474,0.85,0.999,0.1695480090466726,0.1967736961140429,0.22207182509766293,0.21842231512576246,0.20170396134603524
EOS-3-05164,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nn5)cc4F)n23)cc1,QNMREFYKPDICRT-UHFFFAOYSA-N,3,1,0.355,62,124,453.481,4.113,5,0.43,0.81,1.0,0.27359331094510314,0.29310019875265575,0.5325885820026044,0.4286546501267905,0.38198418545678847
EOS-3-05165,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cn1,WNINFMZUPIPOEN-UHFFFAOYSA-N,3,1,0.295,70,191,432.451,3.106,6,0.418,0.79,1.0,0.11493386334041532,0.05422863408950723,0.17104722088958949,0.1788345555479405,0.12976106846686314
EOS-3-05166,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,JRDGBIYBWRBBRV-UHFFFAOYSA-N,3,1,0.33,30,945,432.451,3.106,6,0.418,0.79,1.0,0.12003118360633266,0.08706565691179494,0.15842814063463778,0.22130080186416284,0.14670644575423206
EOS-3-05167,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5C(F)(F)F)n34)cn2)cn1,GVBNNACHZJOAFZ-UHFFFAOYSA-N,3,1,0.293,50,450,454.376,1.89,5,0.438,0.7,1.0,0.05915461585909122,0.09947913097114659,0.5122935371119183,0.31726749366047563,0.2470486944006579
EOS-3-05168,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)s1,UDYANKNOVVDSED-UHFFFAOYSA-N,3,1,0.33,52,295,455.507,2.967,6,0.429,0.77,1.0,0.10928825988623124,0.039510657254471934,0.0217685559591529,0.03088376396408745,0.05036280926598588
EOS-3-05169,Cn1cnnc1-c1cccc(OCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,OIDBHNAYIUNGLA-UHFFFAOYSA-N,3,1,0.349,52,523,467.493,2.453,6,0.387,0.82,1.0,0.20051744225892673,0.15891645534918786,0.05092180111027346,0.05832362415187444,0.11716983071756562
EOS-3-05170,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncnn5C)nc4)n23)cc1,AQANNPWXLWQJCC-UHFFFAOYSA-N,3,1,0.529,89,512,441.455,1.92,5,0.424,0.76,1.0,0.4384123774929751,0.13605133301350147,0.13094544582276746,0.05547083818792406,0.19021999862929204
EOS-3-05171,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4F)n23)c(Cl)c1,HUHMOQPVKCYVGL-UHFFFAOYSA-N,3,1,0.36,61,252,462.876,3.406,5,0.439,0.76,1.0,0.30593345212802414,0.38091974504831744,0.5662137619080255,0.5570128846549243,0.45251996093482283
EOS-3-05172,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4cccc(C)n4)n23)cn1,BVOHHBMZHYKJRQ-UHFFFAOYSA-N,3,1,0.34,82,204,422.452,2.978,5,0.474,0.75,0.917,0.1835977657460078,0.07684531560551025,0.14930436570488656,0.0955640463299294,0.12632787334658352
EOS-3-05173,NC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(Cl)cc4C(F)F)n23)cc1,ROEATKNERRCGOF-UHFFFAOYSA-N,3,1,0.44,66,225,414.803,3.467,4,0.539,0.79,1.0,0.33133438420944417,0.39492666712356933,0.8260314577479269,0.7921235693235557,0.586104019601124
EOS-3-05174,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)cc5)cn4)n23)cc1,OCJJAPQTECYLGM-UHFFFAOYSA-N,3,1,0.354,62,3,420.476,4.188,5,0.471,0.88,1.0,0.19217325748749228,0.08033205400589405,0.6167414844767323,0.4968816393667329,0.34653210883421287
EOS-3-05175,O=C(O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ncc(F)cn5)cn4)n23)cc1F,FUEPYWKEAXDWRS-UHFFFAOYSA-N,3,1,0.343,50,845,432.35,2.682,5,0.455,0.76,1.0,0.28455897471043795,0.14341032143101912,0.42401137687615653,0.3909858817079021,0.31074163868137894
EOS-3-05176,Cn1c(-c2ccc(Cl)nn2)nnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,CWMJJYLHDWAKGC-UHFFFAOYSA-N,3,1,0.356,74,295,472.9,2.589,6,0.413,0.82,0.984,0.22228599821807965,0.2361558494962648,0.017425125077102324,0.05691864848194092,0.13319640531834692
EOS-3-05177,Cc1cnc(-c2cc(-c3nnc4cncc(CNc5ccc(Cl)cc5)n34)ccn2)cn1,PUQJMHHXHGWKML-UHFFFAOYSA-N,3,1,0.376,24,81,428.887,4.217,5,0.448,0.84,1.0,0.1255311493386334,0.08385306010554451,0.4738451785347132,0.46951031457747927,0.2881849256390926
EOS-3-05178,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)cs4)n23)cc1,NXGOKJKSOFCFOM-UHFFFAOYSA-N,3,1,0.473,89,926,447.48,3.15,5,0.421,0.81,1.0,0.45487800699061065,0.2565793982592009,0.14303337673908573,0.06135631553697485,0.228961774381468
EOS-3-05179,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nnc(CO)n5C)cn4)n23)cc1,YDDMCXXWDFHICE-UHFFFAOYSA-N,3,1,0.326,74,918,442.443,0.896,5,0.405,0.81,1.0,0.1836063326708245,0.10610993077924748,0.01916421081488589,0.008781097937084504,0.07941539305051058
EOS-3-05180,Cc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(N)=O)c(C)c5)n34)cn2)cn1,SIVJZTNPAIYVQL-UHFFFAOYSA-N,3,1,0.386,85,580,450.506,3.144,5,0.421,0.8,0.992,0.09933349324926324,0.017228085806318964,0.18734151189089165,0.11285210060996505,0.10418879788910972
EOS-3-05181,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncc(F)c5)s4)n23)nc1,DGIJNUPQUNNORU-UHFFFAOYSA-N,3,1,0.298,33,432,446.471,3.261,5,0.441,0.75,1.0,0.1777722568706737,0.1666181207593722,0.15519840997875403,0.137379206360085,0.1592419984922212
EOS-3-05182,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)nc2)cn1,HUACAODBSRBKBB-UHFFFAOYSA-N,3,1,0.595,59,294,435.85,3.958,5,0.415,0.85,1.0,0.6369508601192516,0.5972431635939963,0.830023644712494,0.8118531971763416,0.7190177164005208
EOS-3-05183,Cn1cc(-c2ncc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)nn2)cn1,PIOYWTIQNMACSI-UHFFFAOYSA-N,3,1,0.38,63,568,470.472,1.999,6,0.399,0.77,1.0,0.11494243026523199,0.1666266876841889,0.04893427455280652,0.082576588307861,0.1032699952025221
EOS-3-05184,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cnc(-c4ccc(F)cc4)nn3)n12,JALCVVGTWJAXAO-UHFFFAOYSA-N,3,1,0.389,61,124,426.415,2.857,5,0.468,0.74,1.0,0.2442001918991159,0.34722602974436295,0.3800116510177507,0.36535364265643205,0.33419787882941543
EOS-3-05185,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(C#N)c5)cc4)n23)cc1F,IEZXTRMAJGWJOV-UHFFFAOYSA-N,3,1,0.373,62,472,448.461,4.496,5,0.437,0.86,1.0,0.36386299773833186,0.36162703036118155,0.8987303817421698,0.8779984236858337,0.6255547083818792
EOS-3-05186,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cn4)n23)cc1,LAMNBIMJXOGMTR-UHFFFAOYSA-N,3,1,0.365,62,139,443.417,3.553,5,0.427,0.79,1.0,0.24991433075183334,0.26185662394626824,0.7520817627304502,0.6710300870399561,0.48372070111712695
EOS-3-05187,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,OWZAUPHWINEFAB-UHFFFAOYSA-N,3,1,0.562,51,969,434.822,3.41,5,0.414,0.77,1.0,0.9143136179836886,0.9641816873415119,0.542757521759989,0.591734630936879,0.7532468645055171
EOS-3-05188,Fc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nc1,SKAKFAKBQIXTED-UHFFFAOYSA-N,3,1,0.676,73,863,434.822,3.41,5,0.414,0.77,1.0,0.9809728599821808,0.9753529573024468,0.44229319443492565,0.5267459392776369,0.7313412377492976
EOS-3-05189,Fc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(N6CCCC6)nc5)n34)nn2)c1F,PRGAQBQUETZAPA-UHFFFAOYSA-N,3,1,0.289,50,997,446.425,2.707,6,0.415,0.75,1.0,0.14202247961071893,0.15513844150503736,0.005859776574600782,0.05988280446850799,0.09072587553971627
EOS-3-05190,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(F)c1,FWTSHCUWWZRXHO-UHFFFAOYSA-N,3,1,0.387,61,917,423.362,3.121,5,0.438,0.81,0.836,0.25251867589610033,0.4453944212185594,0.6685542457679391,0.6680059625796724,0.5086183263655678
EOS-3-05191,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1,JQYRXOLTRWCSHZ-UHFFFAOYSA-N,3,1,0.364,3,289,438.43,2.974,6,0.417,0.75,1.0,0.03448187238708793,0.17528784867384004,0.272359673771503,0.3265112055376602,0.2021601500925228
EOS-3-05192,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)cc1,DNMJFBMBUGCUKC-UHFFFAOYSA-N,3,1,0.573,89,731,428.412,2.175,5,0.432,0.76,1.0,0.5602597491604414,0.19678226303885957,0.1906483448701254,0.0935422520731958,0.26030815228565557
EOS-3-05193,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C(F)F)nc4)n23)cc1F,MCWHJZHAGNGCEP-UHFFFAOYSA-N,3,1,0.324,74,768,464.411,3.611,5,0.426,0.8,1.0,0.3138749914330752,0.3372369954081283,0.727023507641697,0.6188917826057159,0.49925681927215404
EOS-3-05194,O=C(NCCO)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cnn4)n23)cc1,YEHSTQNVZBAZJE-UHFFFAOYSA-N,3,1,0.299,74,333,439.439,1.427,5,0.401,0.8,1.0,0.11186690425604826,0.014315331368651908,0.20823624151874442,0.1468199575080529,0.12030960866287438
EOS-3-05195,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cc1,VHWWWFPANHVDKS-UHFFFAOYSA-N,3,1,0.355,74,423,458.432,3.149,5,0.416,0.76,1.0,0.1947776026317593,0.15514700842985402,0.287497429922555,0.2505054485641834,0.22198187238708794
EOS-3-05196,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(C)cn5)cn4)n23)nc1,DBTISEFFTXIFLF-UHFFFAOYSA-N,3,1,0.344,33,53,439.439,2.499,5,0.438,0.73,1.0,0.48383421287094786,0.1834949626482078,0.11101021177438147,0.043408608046055785,0.20543699883489824
EOS-3-05197,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)nc1,NHDSQBZJIVUYQW-UHFFFAOYSA-N,3,1,0.404,33,53,465.477,2.51,6,0.385,0.85,1.0,0.2845675416352546,0.13994928380508534,0.10314577479268042,0.10594715920773079,0.1584024398601878
EOS-3-05198,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C)nc(-c5ccccn5)c4)n23)cc1,WFXWRGNINHAIHH-UHFFFAOYSA-N,3,1,0.506,89,637,451.49,3.495,5,0.421,0.79,1.0,0.5500651086286067,0.23130697005003084,0.3764563772188335,0.2128709478445617,0.3426748509355082
EOS-3-05199,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)nc1,SATOWZCASDPQDA-UHFFFAOYSA-N,3,1,0.314,39,972,451.429,2.64,6,0.398,0.76,1.0,0.2140189157699952,0.25658796518401755,0.1170156260708656,0.20386710986224385,0.19787240422178057
EOS-3-05200,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)cc1,LIKWCDPGWAZCQR-UHFFFAOYSA-N,3,1,0.517,89,398,464.489,3.115,6,0.39,0.82,1.0,0.4271297375094236,0.10290590089781372,0.17455966006442328,0.16769755328627237,0.21807321293948323
EOS-3-05201,Cc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc(-c2ncnn2C)n1,HUKDGZJBOJWDOX-UHFFFAOYSA-N,3,1,0.343,52,916,466.509,2.168,6,0.403,0.8,1.0,0.09201733945582893,0.020740524981152766,0.013347268864368446,0.012816119525735041,0.0347303132067713
EOS-3-05202,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nn5)n34)nc2)n1,JOHLGKPRMZYGEY-UHFFFAOYSA-N,3,1,0.282,52,523,455.507,2.967,6,0.429,0.76,1.0,0.04322870262490577,0.054237201014323895,0.011822356247001576,0.016097251730518812,0.03134637790418751
EOS-3-05203,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1,IHXBOBBJIOPUPI-UHFFFAOYSA-N,3,1,0.32,25,508,432.451,3.106,6,0.418,0.78,1.0,0.10688095401274758,0.07685388253032692,0.2082448084435611,0.2390086354602152,0.1577470701117127
EOS-3-05204,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)c1,SWBOIHJPIIHUPW-UHFFFAOYSA-N,3,1,0.311,25,791,432.451,3.106,6,0.418,0.78,1.0,0.052283942156123635,0.05054485641834007,0.1371136316907683,0.2213093687889795,0.11531294976355287
EOS-3-05205,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nnnn6C)c5)n34)cc2)n1,MJWZQJWIALRYQK-UHFFFAOYSA-N,3,1,0.286,98,112,437.431,1.234,6,0.395,0.78,1.0,0.05916318278390789,0.06611095881022548,0.02295079158385306,0.02358474402028648,0.04295241929956822
EOS-3-05206,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)n1,QWVDTEBAZWRFGF-UHFFFAOYSA-N,3,1,0.319,98,882,435.455,2.444,6,0.414,0.75,1.0,0.0782674251250771,0.05831505722705777,0.13712219861558494,0.1152337057089987,0.09723459666917963
EOS-3-05207,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)cn1,MYISFDRSHKKZPR-UHFFFAOYSA-N,3,1,0.312,8,765,435.455,2.444,6,0.414,0.75,1.0,0.040298814337605376,0.03036974847508738,0.14600609965046946,0.1285895414981838,0.08631605099033651
EOS-3-05208,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)nc1,FUMGDNHMSPCMMR-UHFFFAOYSA-N,3,1,0.26,98,882,435.455,2.444,6,0.414,0.75,1.0,0.05555650743609074,0.04310876567747241,0.09813412377492975,0.10173223219793023,0.07463290727160579
EOS-3-05209,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5cnco5)c4F)n23)cc1,WQMFGBWYKIHIOY-UHFFFAOYSA-N,3,1,0.452,14,357,429.415,2.931,5,0.457,0.69,1.0,0.34324240970461245,0.32774484271126036,0.5192927146871359,0.40005825508875337,0.3975845555479405
EOS-3-05210,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)cn1,ZUHRHXJWTIBGRC-UHFFFAOYSA-N,3,1,0.341,82,336,443.858,2.718,5,0.449,0.7,1.0,0.2736018778699198,0.24668460009594956,0.32036872044410936,0.3265197724624769,0.29179374271811387
EOS-3-05211,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnn(C)n5)c4)n23)cc1,FRYWTSPPSIBISY-UHFFFAOYSA-N,3,1,0.506,89,895,442.443,1.315,5,0.412,0.79,1.0,0.420002056061956,0.1471112329518196,0.08137721883352751,0.034147762319237884,0.17065956754163525
EOS-3-05212,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cnn2)cn1,ILFWJEMLQFCFHU-UHFFFAOYSA-N,3,1,0.3,74,413,455.457,2.68,6,0.433,0.69,1.0,0.12845247070111712,0.17062744157357276,0.22208039202247962,0.27446713727640326,0.1989068603933932
EOS-3-05213,OCc1nc(-c2nnc3cncc(-c4cncc(-c5ccc(Cl)cc5)n4)n23)ncc1F,CKEWRDWFVQCNTL-UHFFFAOYSA-N,3,1,0.305,50,155,434.822,2.99,5,0.459,0.73,0.845,0.417603317113289,0.4673942841477623,0.37646494414365017,0.5369834144335549,0.4496114899595641
EOS-3-05214,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5ccnc(F)c5)n4)n23)cc1,ZISRPVYDJUNXBK-UHFFFAOYSA-N,3,1,0.352,74,139,444.405,2.948,5,0.424,0.73,1.0,0.28189466109245426,0.2313155369748475,0.46347919950654515,0.40297957645123705,0.34491724350627095
EOS-3-05215,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C5=C(F)COCC5)nn4C)n23)nc1,FKSFXUMOGXIDFU-UHFFFAOYSA-N,3,1,0.269,63,792,435.423,1.442,5,0.511,0.71,0.001,0.03188609416763759,0.07338427797957645,0.0026643136179836887,0.0016448495648002193,0.027394883832499488
EOS-3-05216,Cc1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5(C)CC5)cn4)n23)c(C)n1,CBQAEJUDBFITHF-UHFFFAOYSA-N,3,1,0.396,63,108,430.472,2.454,5,0.495,0.69,0.995,0.2711603042971695,0.09325954355424577,0.00754746076348434,0.005602768830100747,0.09439251936125008
EOS-3-05217,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)c5)nc4)n23)cc1,GFGWUDXXTSNCBJ-UHFFFAOYSA-N,3,1,0.545,89,731,458.869,2.975,5,0.41,0.76,1.0,0.8368257830169282,0.48067301761359743,0.39864471249400313,0.342505654170379,0.5146622918237269
EOS-3-05218,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nc(C(F)F)n(C)n5)c4)n23)cc1,JUDUWLYFJDDZPR-UHFFFAOYSA-N,3,1,0.333,61,124,460.448,3.551,5,0.43,0.8,1.0,0.2362415187444315,0.1589250222740045,0.412471729148105,0.29225207319580565,0.27497258584058665
EOS-3-05219,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)c1,CAJMFGIFLIBJET-UHFFFAOYSA-N,3,1,0.317,64,27,450.441,3.245,6,0.402,0.81,1.0,0.15075217599890342,0.22108662874374616,0.22925090809403056,0.3489565485573299,0.23751156534850248
EOS-3-05220,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)cc1F,PKXUUAZNBGYZME-UHFFFAOYSA-N,3,1,0.406,66,568,412.816,2.109,4,0.534,0.8,1.0,0.31388355835789183,0.327753409636077,0.15843670755945446,0.17583613186210678,0.24397745185388253
EOS-3-05221,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)cc2)n1,IEZBZSAAIWOAFN-UHFFFAOYSA-N,3,1,0.277,9,498,431.463,3.711,6,0.419,0.84,1.0,0.11187547118086491,0.020749091905969432,0.33859056952916183,0.38426941265163456,0.21387113631690768
EOS-3-05222,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cccc(Cl)c4Cl)n23)cc1,ANINTMBYXWUHRO-UHFFFAOYSA-N,3,1,0.457,0,646,452.345,4.776,5,0.457,0.84,1.0,0.3685405386882325,0.38550304982523476,0.5495510931396066,0.7323778356521143,0.508993129326297
EOS-3-05223,N#Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)nc2)cn1,WVMXEKPRLBOVPU-UHFFFAOYSA-N,3,1,0.357,82,412,436.395,1.801,5,0.428,0.74,1.0,0.5688866424508259,0.3277619765608937,0.19766465629497634,0.12657631416626688,0.3052223973682407
EOS-3-05224,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ccc(-c4csnn4)cc3)n12,VHBAGBHRNQGHNX-UHFFFAOYSA-N,3,1,0.361,62,319,427.493,3.308,5,0.461,0.74,0.999,0.1420310465355356,0.09326811047906243,0.3385991364539785,0.26586594476046876,0.20994105955726133
EOS-3-05225,Fc1cc(Cc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc(C(F)(F)F)c1,CVOZRPDMNLGHPQ-UHFFFAOYSA-N,3,1,0.367,61,225,440.364,3.72,5,0.428,0.81,1.0,0.4987235282023165,0.5879052155438284,0.9747190048660133,0.9546809677198272,0.7540071790829963
EOS-3-05226,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncn5)cc4F)n23)cn1,MJGIMEZXNAFGBW-UHFFFAOYSA-N,3,1,0.321,82,204,452.453,3.342,6,0.435,0.74,0.999,0.25496024946885065,0.25163628263998356,0.26500068535398535,0.35223768076211365,0.2809587245562333
EOS-3-05227,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5F)ncn4)n23)cc1,LPKVCSZZYNXHLR-UHFFFAOYSA-N,3,1,0.45,89,463,459.445,2.06,5,0.409,0.78,1.0,0.4176118840381057,0.31840689466109245,0.265009252278802,0.13738777328490165,0.2846039510657254
EOS-3-05228,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(C#N)c5)n4)n23)cc1,BHVSCKXDFDOEHX-UHFFFAOYSA-N,3,1,0.345,62,124,421.424,2.27,5,0.472,0.75,1.0,0.09934206017407991,0.08034062093071072,0.32037728736892607,0.26270474950311834,0.19069117949420877
EOS-3-05229,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)cc1,ZRJSSOFPTWGINF-UHFFFAOYSA-N,3,1,0.3,98,890,436.443,1.839,6,0.406,0.74,1.0,0.12280686724693304,0.08386162703036118,0.04894284147762319,0.05692721540675759,0.07813463779041875
EOS-3-05230,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)nc1,XQSMZPSDOGJRDY-UHFFFAOYSA-N,3,1,0.262,99,866,436.443,1.839,6,0.406,0.74,1.0,0.03875676787060517,0.04311733260228908,0.040958467548488794,0.05393735864574053,0.04419248166678089
EOS-3-05231,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nccc(F)c5F)nc(C)n4)n23)cc1,IXNWUJJADWNEFB-UHFFFAOYSA-N,3,1,0.363,74,139,458.432,3.257,5,0.44,0.76,0.999,0.24992289767665,0.2210951956685628,0.4671115756288123,0.38759337948050165,0.33143076211363165
EOS-3-05232,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cc2)n1,KRGMZAOMSCRBAD-UHFFFAOYSA-N,3,1,0.432,33,512,468.481,1.848,6,0.379,0.86,1.0,0.287420327599205,0.10611849770406415,0.028202316496470425,0.03089233088890412,0.11315836817216092
EOS-3-05233,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)n1,ZTYHTICDDRVXIY-UHFFFAOYSA-N,3,1,0.536,89,512,467.493,2.453,6,0.387,0.85,1.0,0.42936570488657394,0.11540504420533206,0.07695668562812692,0.08084606949489412,0.1756433760537318
EOS-3-05235,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1Cl,OCRDWTDRRZKQLE-UHFFFAOYSA-N,3,1,0.367,96,648,446.833,3.202,5,0.449,0.71,1.0,0.3084692618737578,0.3231015694606264,0.6986755534233432,0.735093550818998,0.5163349838941813
EOS-3-05236,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(F)c(F)c5F)n4)n23)cc1,KFSZLQNBESRCBH-UHFFFAOYSA-N,3,1,0.441,96,140,446.392,4.037,5,0.42,0.8,1.0,0.2604088136522514,0.3616355972859982,0.9031680487972038,0.8780069906106504,0.600804862586526
EOS-3-05237,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)cn2)nc(C)n1,OKBFBVVOHDGQNS-UHFFFAOYSA-N,3,1,0.311,74,450,425.456,2.458,5,0.468,0.76,0.995,0.0015934480159002125,0.015694606264135425,0.1227126310739497,0.05693578233157426,0.049234116921389896
EOS-3-05238,Cc1cnc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)n2)cn1,VANJORVALZXJIZ-UHFFFAOYSA-N,3,1,0.343,29,849,428.391,1.647,5,0.45,0.71,0.874,0.19757898704680968,0.19217325748749228,0.09814269069974642,0.08428997327119457,0.14304622712631074
EOS-3-05239,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncs5)n4)n23)cc1,ILVSZRSGPKEIOI-UHFFFAOYSA-N,3,1,0.456,89,408,444.48,2.643,5,0.424,0.74,1.0,0.43607360701802483,0.2670653142348023,0.16476766499897197,0.0860119251593448,0.23847962785278598
EOS-3-05240,CCn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccn2)cn1,WUXLPZHCZBNAIK-UHFFFAOYSA-N,3,1,0.318,52,582,450.506,3.629,6,0.424,0.8,1.0,0.10688952093756425,0.018770132273319168,0.14931293262970324,0.15442738674525391,0.10734999314646014
EOS-3-05241,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnc(C)cn5)n4)n23)cc1,MBZVFAYTLCATNL-UHFFFAOYSA-N,3,1,0.469,89,731,453.466,2.285,5,0.411,0.77,1.0,0.4407511479679254,0.19218182441230897,0.10846583510383113,0.04220067164690563,0.1958998697827428
EOS-3-05242,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)c(C)n5)cc4)n23)cn1,ITUISNKFEMMWNN-UHFFFAOYSA-N,3,1,0.337,82,204,424.468,2.922,5,0.476,0.77,1.0,0.20582893564526078,0.10291446782263039,0.1873500788157083,0.1017407991227469,0.1494585703515866
EOS-3-05243,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccc(Cl)nc5)c4)n23)cc1,SNMRJDSXAQXBHO-UHFFFAOYSA-N,3,1,0.396,62,319,455.909,3.852,5,0.404,0.8,1.0,0.22816290864231376,0.2361644164210815,0.585463641971078,0.5171081488588856,0.3917247789733397
EOS-3-05244,CCn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,HJLKRWSBUROJTF-UHFFFAOYSA-N,3,1,0.359,52,269,468.496,3.768,6,0.407,0.87,1.0,0.18939757384689193,0.32311013638544306,0.06826982386402577,0.1468285244328696,0.18190151463230758
EOS-3-05245,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4F)n23)cc1,DRYCTUOORMAJMR-UHFFFAOYSA-N,3,1,0.333,25,27,450.441,3.245,6,0.402,0.8,1.0,0.16416798026180524,0.2565965321088342,0.22208895894729627,0.33934445891302856,0.24554948255774106
EOS-3-05246,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(F)cn5)cn4)n23)cc1,ONQXZVAKYISTHR-UHFFFAOYSA-N,3,1,0.464,51,943,457.429,2.116,5,0.407,0.75,1.0,0.6516688369542869,0.41413371256253856,0.2471814817353163,0.14189397573846893,0.3637195017476527
EOS-3-05247,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)cc1,MNMCRQBJSOYHHZ-UHFFFAOYSA-N,3,1,0.467,7,408,457.429,2.116,5,0.407,0.75,1.0,0.5946388184497293,0.4000753889383867,0.2508138578575834,0.14931293262970324,0.34871024946885065
EOS-3-05248,COc1nc(-c2ccnnc2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,RXCVLDIDRIXHQP-UHFFFAOYSA-N,3,1,0.353,96,648,442.414,2.557,5,0.439,0.72,1.0,0.4131399492838051,0.3277705434857104,0.4240199438009732,0.31428620382427525,0.369804160098691
EOS-3-05249,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cn1,GIEVMQAPNWQYIV-UHFFFAOYSA-N,3,1,0.3,82,739,467.468,3.045,6,0.418,0.78,0.922,0.14472962785278595,0.1589335891988212,0.11381159618943185,0.16254026454663834,0.14500376944691934
EOS-3-05250,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(F)c5)cn4)n23)cc1,NIFWCMCKRKEUSS-UHFFFAOYSA-N,3,1,0.484,89,943,456.441,2.721,5,0.414,0.75,1.0,0.7156380645603454,0.4141422794873552,0.40577239394147074,0.2893307518333219,0.4562208724556233
EOS-3-05251,N#Cc1cc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)ccc1C(=O)NC1CCC1,AKUSZRULTMIVFP-UHFFFAOYSA-N,3,1,0.376,63,334,460.448,3.264,5,0.469,0.7,1.0,0.2307329860873141,0.18350352957302446,0.28378795147693786,0.3717103008703996,0.267433692001919
EOS-3-05252,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)nn4)n23)nc1,UFNJYFNBAMMKBD-UHFFFAOYSA-N,3,1,0.34,96,776,458.432,3.149,5,0.416,0.77,0.998,0.13922109519566855,0.13244465766568433,0.3349924611061613,0.3522462476869303,0.2397261154136111
EOS-3-05253,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,RIIQSMSGZZASPP-UHFFFAOYSA-N,3,1,0.32,38,193,432.451,3.106,6,0.418,0.77,1.0,0.11495099719004866,0.0932766774038791,0.18414604893427455,0.23307175656226442,0.15636137002261669
EOS-3-05254,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)n5)c4)n23)cc1,JSBVBXJTQGOCSD-UHFFFAOYSA-N,3,1,0.327,98,150,438.43,2.974,6,0.39,0.8,1.0,0.01865876225070249,0.1434188883558358,0.3203858542937427,0.3297323692687273,0.20304896854225207
EOS-3-05255,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccc(Cl)nc5)n4)n23)cc1,PFZNNLKQXRWMKG-UHFFFAOYSA-N,3,1,0.411,96,139,445.845,3.807,5,0.421,0.8,1.0,0.24420875882393256,0.32777911041052704,0.6850198752655746,0.6884809128915085,0.48637216434788566
EOS-3-05256,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cncnn5)n4)n23)cc1F,GOPKECGSJVAKFR-UHFFFAOYSA-N,3,1,0.333,74,768,445.393,2.343,5,0.447,0.68,1.0,0.2955846069494894,0.2211037625933795,0.40578096086628745,0.38760194640531836,0.32751781920361867
EOS-3-05257,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)c(C)nc5C)cn4)n23)nc1,DQTUGAQEDUPCQJ-UHFFFAOYSA-N,3,1,0.294,33,432,451.494,2.99,5,0.442,0.71,0.986,0.12281543417174971,0.036460832019738196,0.05643033376739086,0.02033787951476938,0.05901111986841203
EOS-3-05258,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c1,GJKFIYYKUBTKFJ-UHFFFAOYSA-N,3,1,0.357,25,642,434.467,3.049,6,0.42,0.77,1.0,0.0847354533616613,0.02752552943595367,0.20464670002056062,0.2068141319991776,0.1309304537043383
EOS-3-05259,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)nc1,KODBFIWVEOPNLT-UHFFFAOYSA-N,3,1,0.268,98,866,435.455,2.444,6,0.414,0.76,1.0,0.04468507984373929,0.036469398944554865,0.08389589472962786,0.09557261325474607,0.06515574669316702
EOS-3-05260,Cc1cn(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NCC(F)F)cc5)n34)n2)nn1,NFYGQCOTANRUFB-UHFFFAOYSA-N,3,1,0.336,74,333,461.436,2.737,5,0.413,0.75,1.0,0.017759235144952368,0.05055342334315674,0.335001028030978,0.25051401548900004,0.1634569255020218
EOS-3-05261,Cc1ccc(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)s5)n34)nc2)n1,RPGRUWYGNZAVOJ-UHFFFAOYSA-N,3,1,0.327,82,776,431.456,3.523,5,0.466,0.75,0.878,0.11188403810568158,0.17063600849838942,0.25082242478240013,0.23901720238503188,0.19308991844287576
EOS-3-05262,Cc1cnc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)cn1,PCISAZCAGASJLP-UHFFFAOYSA-N,3,1,0.284,98,213,448.454,2.204,6,0.394,0.79,1.0,0.06826982386402577,0.06958056336097594,0.047280858063189636,0.05012507710232335,0.05881408059762867
EOS-3-05263,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,YEVLWLATRWWRHF-UHFFFAOYSA-N,3,1,0.323,82,204,452.453,3.342,6,0.407,0.79,0.998,0.23074155301213076,0.18351209649784114,0.23636145569186484,0.31115070934137484,0.24044145363580288
EOS-3-05264,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCCC6)cc5)n34)cn2)o1,RXRCFVIYFLXMBM-UHFFFAOYSA-N,3,1,0.366,52,376,451.49,4.053,6,0.406,0.86,0.999,0.04030738126242204,0.011839490096634911,0.008755397162634501,0.029975669933520663,0.022719484613803027
EOS-3-05265,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(CCOC)c4)n23)cc1Cl,HLEGUYVNMOTSND-UHFFFAOYSA-N,3,1,0.333,63,306,411.853,2.314,4,0.522,0.91,1.0,0.15877938455212118,0.12905215543828388,0.2329946542389144,0.20071448152971008,0.1803851689397574
EOS-3-05266,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(OC)nn5)c4)n23)cn1,MSGFVKTXUIAWDC-UHFFFAOYSA-N,3,1,0.318,82,514,440.427,1.468,5,0.426,0.73,1.0,0.36854910561304915,0.132453224590501,0.06024261531080803,0.02287368926050305,0.1460296586937153
EOS-3-05267,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4cccc(C)n4)n23)cc1,GPIJMXRPSMLBEW-UHFFFAOYSA-N,3,1,0.484,89,731,452.478,2.89,5,0.418,0.78,0.999,0.4109468165307381,0.17529641559865672,0.15844527448427112,0.07736789801932699,0.20551410115824825
EOS-3-05268,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnc(Cl)c5)n4)n23)cc1F,AIXMPGMJZPEGET-UHFFFAOYSA-N,3,1,0.33,29,849,461.848,2.857,5,0.405,0.81,0.995,0.29834315674045647,0.3030121307655404,0.35744637105064764,0.36215817969981495,0.3302399595641149
EOS-3-05269,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)nn1,NODFWNCFDBYHCC-UHFFFAOYSA-N,3,1,0.419,33,760,427.428,1.66,5,0.432,0.79,1.0,0.32891851141114387,0.09648927421012954,0.14601466657528614,0.08966143513124529,0.1652709718319512
EOS-3-05270,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cc(C)nc(Cl)c5)n4)n23)cc1,RTAZAHPFDFPPFB-UHFFFAOYSA-N,3,1,0.368,29,849,457.885,3.027,5,0.408,0.76,1.0,0.21969021999862928,0.19219039133712562,0.20465526694537728,0.16254883147145502,0.19477117743814681
EOS-3-05271,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)cn1,AQHOHQJXERLHRA-UHFFFAOYSA-N,3,1,0.353,52,95,451.465,3.947,6,0.435,0.82,0.997,0.13922966212048524,0.16663525460900555,0.3166164073744089,0.4539613460352272,0.26911066753478174
EOS-3-05272,O=C(NC1CC1)c1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,KCKIMUKJWZCHMF-UHFFFAOYSA-N,3,1,0.43,63,108,470.493,1.945,6,0.399,0.81,1.0,0.2389829346857652,0.0870742238366116,0.01458090603796861,0.01836748680693578,0.08975138784182031
EOS-3-05273,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ccn4)n23)cc1,SXXABTXWRZTVLK-UHFFFAOYSA-N,3,1,0.5,89,731,470.468,3.111,5,0.385,0.84,1.0,0.552609485299157,0.2931087656774724,0.3018641628401069,0.18683606332670824,0.33360461928586116
EOS-3-05274,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnc5)cn4)n23)nc1,QSDFOGMHUZTCKD-UHFFFAOYSA-N,3,1,0.32,33,647,450.466,1.916,6,0.411,0.72,1.0,0.07024878349667603,0.05832362415187444,0.03279418819820437,0.04471934754300596,0.0515214858474402
EOS-3-05275,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cc4OC)n23)cc1,YATJRLAPMKINII-UHFFFAOYSA-N,3,1,0.333,62,124,425.452,3.217,5,0.447,0.82,1.0,0.40413611130148724,0.1666438215338222,0.49798677266808306,0.3142947707490919,0.3457653690631211
EOS-3-05276,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5nn[nH]n5)c4)n23)cc1,RIAOHTYCXOAVGJ-UHFFFAOYSA-N,3,1,0.348,52,916,438.455,1.849,6,0.409,0.83,1.0,0.11761531080803235,0.06611952573504215,0.04242341169213899,0.05989137139332465,0.07151240490713454
EOS-3-05277,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)nc1,CHLPZRZDHLJXHI-UHFFFAOYSA-N,3,1,0.311,74,523,427.403,2.204,5,0.463,0.7,1.0,0.2281714755671304,0.18792406277842505,0.3537882941539305,0.3048454526763073,0.2686823212939483
EOS-3-05278,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)n4)n23)cc1,WLWMMFZJTYQTFY-UHFFFAOYSA-N,3,1,0.34,62,423,451.465,3.947,6,0.407,0.84,1.0,0.21402748269481187,0.1835206634226578,0.38002021794256735,0.44444349256390925,0.30550296415598654
EOS-3-05279,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccncn5)nc4)n23)cc1,WFTBXTRTUBTKKZ-UHFFFAOYSA-N,3,1,0.282,98,213,434.427,1.896,6,0.404,0.76,1.0,0.1284610376259338,0.06958913028579261,0.0602511822356247,0.07543177301076005,0.08343328078952779
EOS-3-05280,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)cc1,LPECUALTZOORLT-UHFFFAOYSA-N,3,1,0.511,89,770,429.465,2.988,5,0.44,0.8,1.0,0.5771622918237269,0.3323624151874443,0.20825337536837776,0.1306970050030841,0.3121187718456582
EOS-3-05281,Cc1nn(C)c(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)o1,RXRLCVJARBSSNA-UHFFFAOYSA-N,3,1,0.317,52,295,453.506,3.961,6,0.432,0.84,1.0,0.18361489959564115,0.07339284490439311,0.07696525255294359,0.07346994722774312,0.10186073607018026
EOS-3-05282,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)cc1,MATRDODMFGGGMR-UHFFFAOYSA-N,3,1,0.529,7,408,425.412,1.716,5,0.429,0.77,1.0,0.4987320951271332,0.17064457542320607,0.16477623192378862,0.09355081899801247,0.23192593036803508
EOS-3-05283,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)cc1,IOWLSXAPRCAYGV-UHFFFAOYSA-N,3,1,0.479,89,398,452.478,2.843,6,0.404,0.77,1.0,0.35476492358303063,0.13605989993831813,0.187358645740525,0.16770612021108902,0.2114723973682407
EOS-3-05284,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1,OXXQFNWAQPHZLL-UHFFFAOYSA-N,3,1,0.274,70,957,433.439,2.501,6,0.412,0.76,1.0,0.08964430128161195,0.05833219107669111,0.11979130971146597,0.1544359536700706,0.1055509389349599
EOS-3-05285,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)cc1,RPUAQCOYGNBVGW-UHFFFAOYSA-N,3,1,0.5,89,731,452.478,2.972,5,0.4,0.76,1.0,0.42001062298677266,0.17065314234802276,0.17773798917140704,0.09558118017956274,0.21599573367144131
EOS-3-05286,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cc1,ANZKLASKCHHJQB-UHFFFAOYSA-N,3,1,0.342,64,27,449.453,3.85,6,0.403,0.85,1.0,0.19218182441230897,0.2466931670207662,0.38768761565348503,0.4632821602357618,0.3224611918305805
EOS-3-05287,CCc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)c1,IQIYBKGPBFISAU-UHFFFAOYSA-N,3,1,0.333,52,246,449.518,4.099,6,0.422,0.82,0.999,0.03322253443903776,0.025280995133986704,0.28750599684737166,0.2922606401206223,0.1595675416352546
EOS-3-05288,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)c5ccccc5)cc4F)n23)cc1,SHFKYOAGLFIOJW-UHFFFAOYSA-N,3,1,0.449,79,504,437.434,3.927,5,0.42,0.83,1.0,0.4021400178192036,0.37619936947433347,0.7704406826125694,0.708116304571311,0.5642240936193543
EOS-3-05289,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4Cl)n23)cc1,NDOCUZPPARGFHS-UHFFFAOYSA-N,3,1,0.36,62,341,455.909,4.318,5,0.424,0.84,1.0,0.24180145295044891,0.3080580494825577,0.6373106709615517,0.6034199163868138,0.447647522445343
EOS-3-05290,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(C)nn5)cc4)n23)cc1,NSCSZRIZSULCOT-UHFFFAOYSA-N,3,1,0.537,89,637,452.478,2.89,5,0.418,0.77,1.0,0.5243557672537866,0.22111232951819615,0.27236824069631965,0.14430984853676923,0.2905365465012679
EOS-3-05291,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)O)cc4)n23)c(Cl)c1,BZOJOCXGSJVPOC-UHFFFAOYSA-N,3,1,0.446,96,558,430.855,4.21,5,0.458,0.82,1.0,0.18081351518059077,0.09328524432869577,0.7295164827633472,0.6592334315674045,0.4157121684600096
EOS-3-05292,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(C)o5)n4)n23)cc1,LJPBFQPUISJSDD-UHFFFAOYSA-N,3,1,0.484,89,408,442.439,2.483,5,0.421,0.75,1.0,0.3914998971969022,0.15894215612363785,0.1552069769035707,0.06288122815434172,0.19213256459461311
EOS-3-05293,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cn4)n23)nc1,JOWQMMLJDSQYLO-UHFFFAOYSA-N,3,1,0.305,98,654,451.429,2.64,6,0.398,0.76,1.0,0.14203961346035227,0.26707388115961894,0.15239702556370366,0.2476098279761497,0.20228008703995615
EOS-3-05294,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cc1,RHRSTWIMGTUJED-UHFFFAOYSA-N,3,1,0.566,89,744,442.504,3.853,5,0.429,0.79,1.0,0.45937564251936125,0.25660509903365086,0.46712014255362894,0.3172760605852923,0.3750942361729833
EOS-3-05295,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cc1,SMLNTZXNYACFBJ-UHFFFAOYSA-N,3,1,0.467,89,408,457.429,2.116,5,0.407,0.74,1.0,0.5827907614282777,0.38092831197313415,0.1807535467068741,0.11286066753478172,0.3143333219107669
EOS-3-05296,Clc1ccc(-c2nnc3cncc(OCc4ccccc4-c4nn[nH]n4)n23)cc1Cl,PNGGVVXXPSFLHN-UHFFFAOYSA-N,3,1,0.573,43,499,439.266,3.857,5,0.443,0.8,1.0,0.927583784524707,0.9195223082722226,0.6904427386745254,0.789844767322322,0.8318483996984443
EOS-3-05297,O=C(O)c1ccc(Cc2cncc3nnc(-c4ccc(-c5cncc(F)c5)cn4)n23)s1,AEBCDCOAYMBHMQ-UHFFFAOYSA-N,3,1,0.343,85,81,432.44,3.738,5,0.451,0.78,0.997,0.2575988623123843,0.1666523884586389,0.3876961825783017,0.3621667466246316,0.2935285449934891
EOS-3-05298,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cc1,DMJQAMQODMVFOA-UHFFFAOYSA-N,3,1,0.377,25,508,454.433,1.978,6,0.392,0.74,1.0,0.26041738057706804,0.33724556233294495,0.11101877869919814,0.1677146871359057,0.2190991021862792
EOS-3-05299,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)no1,IJYAYWSDVBBIQL-UHFFFAOYSA-N,3,1,0.318,25,508,436.439,3.007,6,0.41,0.78,1.0,0.12282400109656638,0.1094852991570146,0.10847440202864779,0.11987697895963265,0.11516517031046536
EOS-3-05300,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccn(C)c(=O)c5)cn4)n23)cn1,CRXHTHVNOLFSCT-UHFFFAOYSA-N,3,1,0.34,82,290,452.478,1.897,5,0.432,0.77,1.0,0.18082208210540746,0.11253512439174834,0.1906569117949421,0.11286923445959839,0.14922083818792406
EOS-3-05301,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(F)c1,IJTAKNRPLSOFMQ-UHFFFAOYSA-N,3,1,0.333,61,997,456.485,3.706,5,0.442,0.82,1.0,0.03189466109245425,0.16666095538345554,0.4090706599958879,0.25956925502021794,0.21679888287300392
EOS-3-05302,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)c1,ISFGRQOKVJIOSY-UHFFFAOYSA-N,3,1,0.276,64,495,433.439,2.501,6,0.412,0.78,1.0,0.059171749708724554,0.0207576588307861,0.07044582276745939,0.11035912548831471,0.0651835891988212
EOS-3-05303,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)cn1,SHDQEWZIHZDQGC-UHFFFAOYSA-N,3,1,0.329,98,882,434.467,3.049,6,0.42,0.76,1.0,0.06278699198135837,0.03647796586937153,0.2875145637721883,0.2446713727640326,0.1578627235967377
EOS-3-05304,Cc1nc(C(F)(F)F)ncc1COc1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,JATYQYBQIIARBW-UHFFFAOYSA-N,3,1,0.494,68,127,430.35,1.981,4,0.508,0.68,1.0,0.6972534439037763,0.5493369200191899,0.4240285107257899,0.18974025083955864,0.46508978137207874
EOS-3-05306,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cn4)n23)cc1,JZITXPVEWJZNRP-UHFFFAOYSA-N,3,1,0.286,98,882,435.455,2.444,6,0.414,0.75,1.0,0.05556507436090741,0.04312589952710575,0.09547837708176272,0.09355938592282914,0.07193218422315126
EOS-3-05307,CCCNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)cn4)n23)cc1,YQCQDUDBPDVYOY-UHFFFAOYSA-N,3,1,0.376,62,837,453.481,4.194,5,0.414,0.86,1.0,0.1641765471866219,0.19679082996367625,0.40907922692070453,0.3782297306558838,0.2870690836817216
EOS-3-05308,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(CC)c4Cl)n23)cc1F,JMZCXKCEVONTOL-UHFFFAOYSA-N,3,1,0.358,0,682,441.869,4.702,4,0.487,0.79,1.0,0.40214858474402027,0.4806815845384141,0.8430282365841958,0.8221249400315263,0.6369958364745392
EOS-3-05309,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)n(C)n1,CVSHIYBKFSYXBN-UHFFFAOYSA-N,3,1,0.333,25,508,449.482,2.753,6,0.403,0.77,1.0,0.1392382290453019,0.07686244945514357,0.06827839078884243,0.07146528682064286,0.08896108902748269
EOS-3-05310,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5nccc(F)n5)cc4F)n23)nc1,SMGUMSDASAULFJ-UHFFFAOYSA-N,3,1,0.324,33,432,445.393,2.343,5,0.418,0.72,0.989,0.2736104447947365,0.2566136659584676,0.31662497429922554,0.27750839558632034,0.2810893701596875
EOS-3-05311,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccc(F)n5)n4)n23)cc1,CBVCIRNBUNTGNT-UHFFFAOYSA-N,3,1,0.485,89,731,442.414,2.46,5,0.396,0.78,1.0,0.6671064354739222,0.33725412925776166,0.2910355698718388,0.2128795147693784,0.37706891234322526
EOS-3-05312,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(F)c5)n4)n23)cc1,NTXLHEABHJANPK-UHFFFAOYSA-N,3,1,0.333,8,973,439.418,2.369,6,0.411,0.74,1.0,0.03876533479542184,0.23132410389966418,0.1280069906106504,0.2038756767870605,0.15049302652319924
EOS-3-05313,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccccn5)n4)n23)cc1,IDBXKSZOELQCBL-UHFFFAOYSA-N,3,1,0.324,98,882,433.439,2.501,6,0.412,0.74,1.0,0.05737269549722432,0.027534096360770338,0.09104927695154548,0.10595572613254746,0.07047794873552189
EOS-3-05314,NC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cc(F)ccc5F)c4)n23)cc1,KRTPFVYFFCXXBP-UHFFFAOYSA-N,3,1,0.462,83,319,441.441,4.426,5,0.437,0.81,1.0,0.35236618463436364,0.3372626961825783,0.9084452744842711,0.8962374066205195,0.6235778904804332
EOS-3-05315,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)cc1,RQDAEVGIRBVFLO-UHFFFAOYSA-N,3,1,0.446,89,408,441.455,1.92,5,0.424,0.75,1.0,0.31635939962990883,0.16277157151668836,0.17456822698923993,0.07544033993557672,0.18228488451785346
EOS-3-05316,Fc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,IJOIJUWLDWKZPX-UHFFFAOYSA-N,3,1,0.346,9,867,436.414,3.235,6,0.447,0.71,1.0,0.31389212528270855,0.3665101775066822,0.4843824960592146,0.5069392091015009,0.41793100198752653
EOS-3-05317,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cc4F)n23)cc1,YDNDGOFZLBZTCH-UHFFFAOYSA-N,3,1,0.388,62,341,450.477,4.552,6,0.425,0.88,1.0,0.2281800424919471,0.2516448495648002,0.6167500514015489,0.6857394969501748,0.44557861010211774
EOS-3-05318,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(C(=O)N4CCOCC4)cc3)n12,TXIONCFQBOGPKC-UHFFFAOYSA-N,3,1,0.429,0,21,482.544,3.131,6,0.469,0.9,1.0,0.14204818038516895,0.002433006647933658,0.008335617846617778,0.02540949900623672,0.04455657597148928
EOS-3-05319,NC(=O)c1ccc(-c2nnc3cncc(Cc4nccc(-c5cncnc5)c4F)n23)cc1,FAPODZVTWGTQKX-UHFFFAOYSA-N,3,1,0.412,14,357,426.415,2.472,5,0.458,0.69,1.0,0.2761034199163868,0.16666952230827223,0.4494123089575766,0.387610513330135,0.3199489411280927
EOS-3-05320,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnnn6C)ccc5F)n34)cc2)n1,MRRBONSNYDGFBH-UHFFFAOYSA-N,3,1,0.342,25,508,453.445,2.583,6,0.4,0.78,1.0,0.23625008566924816,0.3472345966691796,0.21180864916729492,0.2446799396888493,0.259993317798643
EOS-3-05321,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnn(Cc5cccc(F)c5)c4)n23)cc1,MBVUQQJLACYKHI-UHFFFAOYSA-N,3,1,0.443,52,916,467.508,3.658,6,0.395,0.86,1.0,0.15341648961688711,0.1967993968884929,0.3350095949557947,0.41282297306558835,0.27451211363169076
EOS-3-05322,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)cc1,BVLQMSHYABCIRL-UHFFFAOYSA-N,3,1,0.313,25,213,437.492,3.772,6,0.414,0.82,1.0,0.1339181687341512,0.12906072236310054,0.23300322116373107,0.28628092659858817,0.19556575971489273
EOS-3-05323,Cn1nc(-c2ccc(F)c(Cl)c2)nc1-c1cncc2nnc(-c3ccc(C(=O)O)cn3)n12,RSZOQIFAPDUUNF-UHFFFAOYSA-N,3,1,0.346,22,844,450.821,3.14,5,0.443,0.72,0.955,0.16418511411143855,0.18352923034747448,0.2837965184017545,0.32974093619354394,0.24031294976355289
EOS-3-05324,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cc1,NJCBFFSQCWNDLA-UHFFFAOYSA-N,3,1,0.56,89,731,424.424,2.321,5,0.439,0.78,1.0,0.5136813789322184,0.19680796381330956,0.24719004866013297,0.14683709135768624,0.2761291206908368
EOS-3-05325,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)nc2)c1,JIIYQWYWXGECJI-UHFFFAOYSA-N,3,1,0.307,94,151,435.426,3.635,6,0.417,0.79,1.0,0.0009252278802001233,0.11865190871084916,0.6196285381399493,0.6564149133027208,0.3489051470084299
EOS-3-05326,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c(F)c1,UHTBESRAGBGPCY-UHFFFAOYSA-N,3,1,0.351,25,508,450.441,3.245,6,0.402,0.78,1.0,0.23625865259406484,0.29311733260228906,0.45990679185799466,0.5139212528270852,0.37580100747035844
EOS-3-05327,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cccc(F)c4)n23)cc1,NAKRTRFAXGSYMU-UHFFFAOYSA-N,3,1,0.375,98,882,450.441,3.245,6,0.402,0.78,1.0,0.17778082379549037,0.2773027893907203,0.31276985813172503,0.3876190802549517,0.28886813789322185
EOS-3-05328,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)nc4)n23)cc1,GCTHHSMWQQJHAO-UHFFFAOYSA-N,3,1,0.324,42,725,450.441,3.245,6,0.402,0.78,1.0,0.21969878692344597,0.2211208964430128,0.3018727297649236,0.30485401960112396,0.2618866081831266
EOS-3-05329,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)nn1,DZGBPHSCSUWFHY-UHFFFAOYSA-N,3,1,0.322,74,333,440.471,2.195,5,0.44,0.74,1.0,0.0870228222877116,0.0395192241792886,0.015257693098485368,0.006759303680350901,0.03713976081145912
EOS-3-05330,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4ccc(Cl)nn4)cc3F)n12,ZASAJWZRTQBNPR-UHFFFAOYSA-N,3,1,0.356,62,3,459.872,4.115,5,0.432,0.82,0.971,0.3006647933657734,0.32311870331025977,0.7243591940237133,0.7136933726269619,0.5154590158316771
EOS-3-05331,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)cn4)n23)cc1,RVBJBVDYFOEHSE-UHFFFAOYSA-N,3,1,0.381,62,302,450.477,4.552,6,0.425,0.9,1.0,0.17778939072030703,0.21590363922966213,0.5462699609348228,0.642202385031869,0.39554134397916524
EOS-3-05332,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)nc2)n(C)n1,YJWQCHATDQXNTD-UHFFFAOYSA-N,3,1,0.315,52,802,468.496,3.594,6,0.423,0.82,1.0,0.12846960455075046,0.20162257556027688,0.23301178808854772,0.2658745116852855,0.20724461997121513
EOS-3-05333,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnc(C)nn5)n4)n23)cc1,MAJPXFORQMNXOI-UHFFFAOYSA-N,3,1,0.416,85,357,455.457,2.436,5,0.429,0.7,1.0,0.1808306490302241,0.21107189363306147,0.16166643821533822,0.11524227263381537,0.1672028133781098
EOS-3-05334,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)ncn4)n23)cn1,CRLDGVGYBKWUCU-UHFFFAOYSA-N,3,1,0.341,82,155,427.403,2.204,5,0.433,0.75,0.972,0.1894061407717086,0.18353779727229114,0.25787300390651774,0.2038842437118772,0.20867529641559865
EOS-3-05335,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnc(F)c5)n4)n23)cn1,GZPDISCAHFREHS-UHFFFAOYSA-N,3,1,0.341,29,849,428.391,1.599,5,0.423,0.77,0.758,0.2222945651428963,0.20612021108902748,0.08871907340141183,0.06451751079432527,0.14541284010691524
EOS-3-05336,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(Br)c4)n23)cc1,SUFLTURHSMQNTP-UHFFFAOYSA-N,3,1,0.704,48,378,478.35,4.068,5,0.433,0.91,1.0,0.6703704338290727,0.37129052155438286,0.34597525872112944,0.40611507093413746,0.44843782125968057
EOS-3-05337,COc1ncc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(-c2ccc(F)cc2F)n1,SWMMJFKXIHLGEF-UHFFFAOYSA-N,3,1,0.408,96,46,459.416,3.301,5,0.428,0.77,0.995,0.4790281680487972,0.4046929614145706,0.6047906243574807,0.5171167157837023,0.5014071174011376
EOS-3-05338,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccc(C)nn5)n4)n23)cc1F,QGWQCZJXXVEBFN-UHFFFAOYSA-N,3,1,0.346,74,768,458.432,3.257,5,0.44,0.74,1.0,0.2683846206565691,0.25165341648961687,0.45317318895209374,0.4029881433760537,0.3440498423685834
EOS-3-05339,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncnc5C)cc4F)n23)cc1F,SZPSWBNAFZPEQS-UHFFFAOYSA-N,3,1,0.346,61,648,458.432,3.257,5,0.44,0.74,1.0,0.3237183880474265,0.2721883352751696,0.5823538482626276,0.5267545062024536,0.4262537694469193
EOS-3-05340,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,NXJYTGMAIFXJRN-UHFFFAOYSA-N,3,1,0.378,0,862,412.453,2.71,5,0.525,0.89,1.0,0.24993146460146665,0.09012404907134534,0.1841546158590912,0.1493214995545199,0.1683829072716058
EOS-3-05341,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccncn5)cn4)n23)cc1,SZLZHKFNGOSNDK-UHFFFAOYSA-N,3,1,0.44,89,943,465.477,2.51,6,0.385,0.82,1.0,0.44533445274484273,0.1794770749091906,0.08390446165444453,0.08085463641971079,0.19739265643204718
EOS-3-05342,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)cn1,VYHIHUFRSVFNMB-UHFFFAOYSA-N,3,1,0.362,82,290,423.44,1.989,5,0.455,0.74,1.0,0.11495956411486533,0.07687101637996024,0.15240559248852031,0.09558974710437941,0.10995648002193131
EOS-3-05343,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5ccsc5)c4)n23)cc1,QVKQTRVUGZXSJI-UHFFFAOYSA-N,3,1,0.367,62,3,429.48,4.686,5,0.45,0.87,1.0,0.22818860941676375,0.20163114248509356,0.7864265643204715,0.737749297512165,0.48849890343362345
EOS-3-05344,CCNC(=O)c1ccc(-c2nnc3cncc(CCc4nc(CC(F)(F)F)n(C)n4)n23)cc1,TUUBYPPRVZQGEU-UHFFFAOYSA-N,3,1,0.411,66,792,458.448,2.56,4,0.457,0.73,0.957,0.13392673565896784,0.13246179151531767,0.1616750051401549,0.11525083955863204,0.1358285929682681
EOS-3-05345,Cn1cc(-c2cc(F)c(F)c(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)cn1,MFXVLBPGPBQJQS-UHFFFAOYSA-N,3,1,0.353,82,859,432.394,2.631,5,0.467,0.69,1.0,0.15604653553560413,0.20163970940991022,0.619637105064766,0.5600198752655746,0.38433580631896375
EOS-3-05346,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ccc(F)c(-c4nnn(C)n4)c3)n12,RCVHPWAQENLQKG-UHFFFAOYSA-N,3,1,0.375,61,784,443.446,2.119,5,0.44,0.72,1.0,0.20583750257007744,0.2670824480844356,0.214952710575012,0.1788431224727572,0.21667894592557058
EOS-3-05347,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(F)nc5)n4)n23)c(F)c1,FAUFQYVEPLOUKR-UHFFFAOYSA-N,3,1,0.374,96,140,429.39,3.292,5,0.439,0.76,1.0,0.21403604961962855,0.282417243506271,0.6959855390309094,0.668014529504489,0.4651133404153245
EOS-3-05348,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)cc1,KRUZOXVPKXRITK-UHFFFAOYSA-N,3,1,0.329,98,39,438.43,2.974,6,0.417,0.76,1.0,0.028399355767253786,0.16667808923308888,0.3238811596189432,0.3842779795764512,0.22580914604893426
EOS-3-05349,Cn1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,MUWAPHWQFIVMCM-UHFFFAOYSA-N,3,1,0.5,89,637,466.505,3.058,6,0.392,0.86,1.0,0.43359776574600783,0.12206154478788295,0.17457679391405662,0.16255739839627167,0.22319837571105475
EOS-3-05350,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)s2)cn1,UNIVWCVKGXCTQC-UHFFFAOYSA-N,3,1,0.337,52,423,453.531,4.177,6,0.429,0.84,1.0,0.12847817147556714,0.08034918785552737,0.13384963333561783,0.15444452059488725,0.1242803783153999
EOS-3-05351,CCn1nc(C)cc1-c1ncnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,AEMOKIHCQCWRNM-UHFFFAOYSA-N,3,1,0.321,29,849,466.509,2.727,6,0.404,0.83,0.987,0.08474402028647797,0.03346240833390446,0.008763964087451169,0.008404153245151121,0.033843636488246176
EOS-3-05352,Cc1ncc(-c2nnc3cncc(CCc4ncc(F)cc4Br)n23)cc1F,XAFSNYWJGKDRPP-UHFFFAOYSA-N,3,1,0.37,68,244,431.244,3.716,4,0.493,0.71,1.0,0.4041446782263039,0.5079843739291344,0.5495596600644232,0.6217702693441163,0.5208647453909945
EOS-3-05353,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,WMHSEKOFVDCTRO-UHFFFAOYSA-N,3,1,0.511,89,512,467.493,2.453,6,0.387,0.84,1.0,0.3824446576656843,0.06612809265985882,0.06420910150092522,0.06452607771914194,0.14432698238640257
EOS-3-05354,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cn(C)nn5)cn4)n23)cc1,HSRVFOLLHKNURN-UHFFFAOYSA-N,3,1,0.505,89,926,441.455,1.92,5,0.424,0.78,1.0,0.26316736344321845,0.16668665615790557,0.17458536083887327,0.07737646494414364,0.17045396134603522
EOS-3-05355,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)nc(C(F)F)c1,CGVCIXFTLHOZJJ-UHFFFAOYSA-N,3,1,0.341,82,243,447.409,2.685,5,0.438,0.7,0.986,0.18083921595504077,0.139957850729902,0.3685062709889658,0.26866732917551917,0.23949266671235694
EOS-3-05356,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nncc(C)n5)cc4)n23)cn1,RPGWFWFQOJRFBB-UHFFFAOYSA-N,3,1,0.494,89,250,453.466,2.285,5,0.411,0.77,1.0,0.4838427797957645,0.22639812213008018,0.12801555753546706,0.06136488246179152,0.22490533548077582
EOS-3-05357,CNC(=O)c1ccc(-c2nnc3cncc(-n4cc(-c5ccc(Cl)nc5)nn4)n23)cc1F,XTZIIBLTIQQKPE-UHFFFAOYSA-N,3,1,0.49,74,413,449.837,2.586,5,0.419,0.76,1.0,0.04171235693235556,0.22640668905489686,0.41248029607292164,0.43514837913782467,0.27893693029949973
EOS-3-05358,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4nccnc4-c4cncs4)n23)nc1,IWHWVLQTSQQQIX-UHFFFAOYSA-N,3,1,0.267,33,432,441.48,2.659,6,0.441,0.72,0.97,0.05918031663354122,0.04690391337125625,0.01587451168528545,0.029984236858337333,0.037985744637105065
EOS-3-05359,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c1,RPKNTSPOWREQTL-UHFFFAOYSA-N,3,1,0.31,25,213,432.451,3.106,6,0.418,0.77,1.0,0.06617092728394215,0.04691248029607292,0.22925947501884725,0.277516962511137,0.1549649612774998
EOS-3-05360,O=C(c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)cc1)N1CCCC1,NNONXTRQLGEYKP-UHFFFAOYSA-N,3,1,0.33,52,376,466.48,3.685,6,0.398,0.84,1.0,0.03190322801727092,0.062075937221574944,0.011248372284284833,0.09962476869302996,0.051213076554040164
EOS-3-05361,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nn5)s4)n23)cc1,SBYZXDGEAKSGJH-UHFFFAOYSA-N,3,1,0.35,74,423,427.493,3.645,5,0.47,0.76,1.0,0.16679802618052225,0.10292303474744706,0.24360907408676583,0.1572287711603043,0.16763972654375986
EOS-3-05362,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)n4)n23)cc1,JWKRRRZJFMCZQO-UHFFFAOYSA-N,3,1,0.333,67,642,438.43,2.974,6,0.417,0.74,1.0,0.027242820917003634,0.23617298334589815,0.28380508532657117,0.3456925502021794,0.22322835994791312
EOS-3-05363,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,JVAKDPLSVSKINT-UHFFFAOYSA-N,3,1,0.568,89,258,427.428,1.66,5,0.432,0.76,1.0,0.5602683160852581,0.16669522308272222,0.1430419436639024,0.08429854019601124,0.2385760057569735
EOS-3-05364,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,JIRWIPQTNMYKGZ-UHFFFAOYSA-N,3,1,0.337,25,791,431.463,3.711,6,0.419,0.82,1.0,0.114968131039682,0.09948769789596326,0.2983774244397231,0.37171886779521623,0.22113803029264614
EOS-3-05365,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cn1,VNXQIZZIRQDVTF-UHFFFAOYSA-N,3,1,0.286,98,373,435.455,2.444,6,0.414,0.76,1.0,0.07614282777054349,0.054245767939140564,0.12272119799876637,0.13493763278733467,0.09701185662394628
EOS-3-05366,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(C)nn5)cc4)n23)cc1F,YLCUFDAMBCSILI-UHFFFAOYSA-N,3,1,0.489,61,451,456.441,3.243,5,0.428,0.76,1.0,0.7460677815091494,0.5168511411143856,0.3764735110684669,0.27752552943595366,0.47922949078198884
EOS-3-05367,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(C)nn5)cn4)n23)cc1,CKNRHSROFCPVBN-UHFFFAOYSA-N,3,1,0.4,89,310,439.439,2.499,5,0.438,0.72,1.0,0.4593842094441779,0.20612877801384416,0.13713076554040163,0.05694434925639093,0.21489702556370366
EOS-3-05368,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C)nc4-c4cccc(Cl)c4)n23)cc1,VGRJKVHQQQXCOC-UHFFFAOYSA-N,3,1,0.376,62,124,455.909,4.237,5,0.435,0.83,1.0,0.24722431635939962,0.2980947159207731,0.5087982317867178,0.4785312864094305,0.3831621376190802
EOS-3-05369,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(F)c5)cn4)n23)cc1,SDSSGKOWZMBCAQ-UHFFFAOYSA-N,3,1,0.553,97,744,442.41,3.665,5,0.424,0.81,1.0,0.5549996573230074,0.12906928928791722,0.6959941059557261,0.5600284421903914,0.48502287368926056
EOS-3-05370,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccnnc5)cn4)n23)cc1,MDIZSEQTGHLOFM-UHFFFAOYSA-N,3,1,0.39,14,357,422.452,2.594,5,0.463,0.72,1.0,0.19478616955657596,0.05425433486395723,0.34598382564594615,0.2359759440751148,0.20775006853539854
EOS-3-05371,Cn1ccc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)n1,USPLWETZJXBEOM-UHFFFAOYSA-N,3,1,0.412,14,886,424.468,2.471,5,0.447,0.75,1.0,0.07411246658899322,0.04692104722088959,0.19066547871975875,0.11755534233431568,0.10731358371598931
EOS-3-05372,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(C)cn5)c4)n23)c(Cl)c1,CYDPNLCLUJMADN-UHFFFAOYSA-N,3,1,0.362,82,859,456.897,3.632,5,0.439,0.76,1.0,0.21690596943321225,0.2516619834144336,0.4809899938318141,0.41283153999040506,0.34059737166746623
EOS-3-05373,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5)cn4)n23)cc1,GELWGTQYGYPCKF-UHFFFAOYSA-N,3,1,0.451,89,943,464.489,3.115,6,0.39,0.84,1.0,0.4154016174354054,0.1667037900075389,0.14305051058871907,0.14933006647933658,0.21862149612774998
EOS-3-05374,CONC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(C#N)cc5)n4)n23)cc1,PBCJDGMJHVHUCN-UHFFFAOYSA-N,3,1,0.4,29,704,449.434,2.473,5,0.4,0.81,1.0,0.3708193406894661,0.1511633883901035,0.39116578712905214,0.2862894935234048,0.29985950243300663
EOS-3-05375,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(C)ncn5)cc4OC)n23)cn1,LYQRNDJBHFAKLT-UHFFFAOYSA-N,3,1,0.298,82,204,452.478,2.987,5,0.432,0.77,0.997,0.3731324103899664,0.1220701117126996,0.2723768076211363,0.12859810842300048,0.22404435953670068
EOS-3-05376,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)nc1,ZWFVJXBVGUIJQU-UHFFFAOYSA-N,3,1,0.311,74,432,469.896,3.251,6,0.416,0.81,0.999,0.22819717634158043,0.2467017339455829,0.09313103968199575,0.16772325406072236,0.18393830100747038
EOS-3-05377,CCn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnc(C)nn6)cc5)n34)cn2)cn1,LGNVYHLZKPJQPF-UHFFFAOYSA-N,3,1,0.275,98,450,449.482,3.021,6,0.394,0.76,1.0,0.009749160441367966,0.014323898293468576,0.14305907751353575,0.1152594064834487,0.07059788568295525
EOS-3-05378,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(F)cnn5)cn4)n23)cc1,VILSXMCCMGJWLN-UHFFFAOYSA-N,3,1,0.418,14,357,440.442,2.733,5,0.447,0.66,1.0,0.20052600918374341,0.18793262970324173,0.4057895277911041,0.32024021657185936,0.27862209581248715
EOS-3-05379,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(Cc5cccc(F)c5F)c4)n23)cc1,DYAGPPFYEDTOFX-UHFFFAOYSA-N,3,1,0.355,62,341,471.471,3.874,6,0.406,0.87,1.0,0.17485950243300666,0.24671030087039955,0.569554862586526,0.6365739154273182,0.4069246453293126
EOS-3-05380,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)s5)nc4)n23)cc1,CILUCAOCCMOREF-UHFFFAOYSA-N,3,1,0.38,62,139,447.911,3.99,5,0.447,0.76,1.0,0.24181001987526557,0.2211294633678295,0.35745493797546435,0.320248783496676,0.2851608011788089
EOS-3-05381,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)s4)n23)nc1,DDLUCCMPKQNECA-UHFFFAOYSA-N,3,1,0.301,62,776,426.505,4.332,5,0.452,0.84,1.0,0.10442224659036392,0.08708279076142827,0.240096634911932,0.22131793571379618,0.1632299019943801
EOS-3-05382,FC(F)Oc1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cn1,UHKBEOGVLOORCY-UHFFFAOYSA-N,3,1,0.461,68,455,422.317,3.792,4,0.456,0.83,1.0,0.6172297991912823,0.8313686519087109,0.9882804468507984,0.959718319512028,0.8491493043657049
EOS-3-05383,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,VTEFUCAXJQMUMN-UHFFFAOYSA-N,3,1,0.301,64,144,435.426,3.635,6,0.417,0.8,0.999,0.015112055376602014,0.10293160167226373,0.33860770337879514,0.4695188815022959,0.2315425604824892
EOS-3-05384,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(C(F)F)c4)n23)cn1,MZJNTWSZQWKLBB-UHFFFAOYSA-N,3,1,0.433,66,225,414.803,3.467,4,0.539,0.81,1.0,0.3163679665547255,0.4092762661914879,0.8462922349393461,0.8240781988897266,0.5990036666438215
EOS-3-05385,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cccnc5F)c4)n23)cc1F,DTTKRCLEBKSASD-UHFFFAOYSA-N,3,1,0.341,96,648,460.419,4.297,5,0.405,0.9,1.0,0.3731409773147831,0.4231546843944898,0.9150589404427387,0.8933417860324858,0.6511740970461244
EOS-3-05386,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)s1,GFQAXLBUQUQMFK-UHFFFAOYSA-N,3,1,0.467,89,250,444.48,2.691,5,0.422,0.78,1.0,0.4200191899115893,0.21108046055787816,0.09105784387636214,0.05547940511274073,0.1944092248646426
EOS-3-05387,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(C)n5)cn4)n23)cc1,JVGAFDUWFCXWSQ-UHFFFAOYSA-N,3,1,0.505,89,731,452.478,2.89,5,0.418,0.75,1.0,0.45939277636899456,0.2110890274826948,0.28000137070797065,0.12860667534781714,0.2697724624768693
EOS-3-05388,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cn4)n23)cc1,GNHVAKIAPUCORN-UHFFFAOYSA-N,3,1,0.345,52,582,468.908,3.856,6,0.417,0.84,1.0,0.1560551024604208,0.18354636419710782,0.2578815708313344,0.35521897059831403,0.23817550202179427
EOS-3-05389,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4cnnn4C)cc3)n12,TXXHUBLISUFGTF-UHFFFAOYSA-N,3,1,0.323,52,269,466.505,3.155,6,0.409,0.85,1.0,0.11762387773284902,0.06613665958467549,0.17105578781440614,0.15723733808512097,0.1280134158042629
EOS-3-05390,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,DLXOXXLIOCGNFB-UHFFFAOYSA-N,3,1,0.32,25,791,431.463,3.711,6,0.419,0.81,1.0,0.08965286820642862,0.06208450414639161,0.3166335412240422,0.3812795558906175,0.21241261736687
EOS-3-05391,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(Cl)cn5)nc4)n23)cn1,KGZKVSMQEINJPT-UHFFFAOYSA-N,3,1,0.36,85,290,457.885,2.642,5,0.427,0.76,0.992,0.18084778287985745,0.23618155027071483,0.1841631827839079,0.15724590500993763,0.18960960523610446
EOS-3-05392,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)n5)nc4)n23)cc1,MVPSODSYKKIXQV-UHFFFAOYSA-N,3,1,0.516,89,863,459.857,2.37,5,0.404,0.75,0.999,0.7751781920361867,0.467402851072579,0.21181721609211157,0.17584469878692344,0.40756073949695015
EOS-3-05393,COC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cc4)n23)cc1,JZMZVBCKTDGNKE-UHFFFAOYSA-N,3,1,0.364,62,740,423.436,3.021,5,0.397,0.89,1.0,0.2790504420533205,0.10949386608183126,0.42743814680282366,0.30148721814817353,0.27936741827153727
EOS-3-05394,Cc1c(-c2ccc(F)cc2)ncnc1-c1cncc2nnc(-c3ccc(C(=O)NCC#N)cc3)n12,XEQWGEBITQGVIU-UHFFFAOYSA-N,3,1,0.358,62,124,464.464,3.616,5,0.394,0.84,1.0,0.2658573778356521,0.3472431635939963,0.5259406483448701,0.47563566582139677,0.4036692138989788
EOS-3-05395,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccnc5)c4)n23)cc1,WVXLCQMCAFEMII-UHFFFAOYSA-N,3,1,0.311,74,246,421.424,2.292,5,0.431,0.8,1.0,0.025932081420053456,0.018778699198135837,0.380028784867384,0.28933931875813856,0.17851972106092795
EOS-3-05396,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)cn1,MMJNEYLMJGIABZ-UHFFFAOYSA-N,3,1,0.463,7,205,444.48,2.643,5,0.424,0.8,1.0,0.5215286820642862,0.35208347611541363,0.07697381947776026,0.03619525735042149,0.2466953087519704
EOS-3-05397,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cn5)nc4)n23)cc1,PERHJRPFFYAVRO-UHFFFAOYSA-N,3,1,0.301,98,213,451.429,2.64,6,0.398,0.76,1.0,0.2472328832842163,0.28242581043108766,0.1710643547392228,0.23021040367349735,0.232733363032006
EOS-3-05398,CNC(=O)c1ccc(-c2nnc3cncc(OCc4csc(-c5cnccn5)n4)n23)cc1,VKFADDCTGRIRMT-UHFFFAOYSA-N,3,1,0.484,89,731,444.48,2.643,5,0.424,0.79,1.0,0.42002775683640603,0.26709101500925225,0.1110273456240148,0.052618052223973685,0.2126910424234117
EOS-3-05399,Cc1ccnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)cn2)n1,QLLFVSLYHRMZMG-UHFFFAOYSA-N,3,1,0.469,7,156,440.423,2.624,5,0.419,0.77,1.0,0.4293742718113906,0.07340141182920978,0.15521554382838737,0.06961483106024262,0.18190151463230755
EOS-3-05400,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cc(F)cnn5)c4)n23)cc1,AXILJECLWAJBRK-UHFFFAOYSA-N,3,1,0.404,96,648,429.39,3.292,5,0.469,0.72,1.0,0.23075011993694744,0.19681653073812624,0.7634586388869852,0.7455280652456994,0.48413833870193956
EOS-3-05401,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnnn6C)cn5)n34)cc2)n1,CYKQXASVKUAHMF-UHFFFAOYSA-N,3,1,0.301,98,213,447.466,2.809,6,0.401,0.76,1.0,0.08475258721129464,0.07687958330477691,0.07914981838119389,0.09356795284764581,0.0835874854362278
EOS-3-05402,Cc1nnc(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2F)o1,PASWEADLXVELNY-UHFFFAOYSA-N,3,1,0.398,52,916,469.48,3.772,6,0.403,0.85,1.0,0.3111592762661915,0.23133267082448083,0.23637002261668152,0.2744757042012199,0.26333441847714345
EOS-3-05403,NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)c(Cl)c5)c4)n23)cc1,GELGFIMUUGPDLF-UHFFFAOYSA-N,3,1,0.452,96,246,450.289,4.05,5,0.445,0.78,1.0,0.047400795010622984,0.17530498252347337,0.790410184360222,0.8201631142485094,0.4583197690357069
EOS-3-05404,Cn1cc(-c2ncc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)cn1,IWDICOGOCPVVPR-UHFFFAOYSA-N,3,1,0.518,89,863,427.428,1.66,5,0.432,0.74,1.0,0.4570968405181276,0.16278013844150505,0.1584538414090878,0.07347851415255979,0.21295233363032007
EOS-3-05405,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1,PWEIFJFFRSFVNI-UHFFFAOYSA-N,3,1,0.316,25,213,432.451,3.106,6,0.418,0.78,1.0,0.12283256802138305,0.09329381125351244,0.2292680419436639,0.27448427112603657,0.17996967308614897
EOS-3-05406,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nc1,GODHBOJAWAXOFX-UHFFFAOYSA-N,3,1,0.324,94,515,432.451,3.106,6,0.418,0.78,0.999,0.12003975053114933,0.0542629017887739,0.15522411075320403,0.19255020217942567,0.13051924131313822
EOS-3-05407,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)n4)n23)cc1,KNIWPESNUCAYNO-UHFFFAOYSA-N,3,1,0.474,89,770,470.468,3.111,5,0.385,0.83,0.999,0.5215372489891029,0.3132153382221918,0.23637858954149818,0.1443184154615859,0.3038623980535947
EOS-3-05408,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)cnn4)n23)cc1,WVJRNVJXORZESV-UHFFFAOYSA-N,3,1,0.427,89,398,465.477,2.51,6,0.385,0.84,1.0,0.36173840038379823,0.13996641765471865,0.13385820026043452,0.13739634020971833,0.19323983962716743
EOS-3-05409,CCn1cc(-c2cc(C#N)cc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)cn1,HBOBLKGKDRKGGO-UHFFFAOYSA-N,3,1,0.308,82,336,435.451,2.707,5,0.447,0.7,1.0,0.07827599204989377,0.0964978411349462,0.3537968610787472,0.2862980604482215,0.20371718867795216
EOS-3-05410,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(F)c1,KLHFIFYWDALTQG-UHFFFAOYSA-N,3,1,0.396,74,917,416.38,1.282,5,0.462,0.82,1.0,0.1863391816873415,0.2016482763347269,0.09313960660681242,0.09559831402919608,0.14418134466451923
EOS-3-05411,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(F)c1,RYBUYDMJKALJPE-UHFFFAOYSA-N,3,1,0.324,3,668,437.442,3.579,6,0.419,0.78,1.0,0.0272513878418203,0.1921989582619423,0.4634877664313618,0.49371187718456583,0.29416249742992256
EOS-3-05412,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nc[nH]n5)cn4)n23)cc1,ZVUSLGNQBPYOHU-UHFFFAOYSA-N,3,1,0.352,52,916,437.467,2.454,6,0.418,0.79,1.0,0.10689808786238092,0.06959769721060928,0.07266465629497636,0.08967000205606196,0.08470761085600713
EOS-3-05413,Cn1cc(-c2nc(-c3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)ccc2F)cn1,IPYDTNNVROIGLE-UHFFFAOYSA-N,3,1,0.352,74,139,460.448,3.092,5,0.418,0.78,1.0,0.13675382084846824,0.15895072304845453,0.38003735179220066,0.3111592762661915,0.24672529298882873
EOS-3-05414,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nn4)n23)c(F)c1,ZVZGEAGRVAPUFN-UHFFFAOYSA-N,3,1,0.346,74,333,443.446,2.538,5,0.444,0.72,0.999,0.15606366938523747,0.20613734493866082,0.1552326776780207,0.11988554588444932,0.1593298094715921
EOS-3-05415,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)nc5)n34)cc2)nn1,FZWGNHSHBMFURT-UHFFFAOYSA-N,3,1,0.305,42,725,450.441,3.245,6,0.402,0.78,1.0,0.1534250565417038,0.20165684325954356,0.3459923925707628,0.34896511548214654,0.26250985196353915
EOS-3-05416,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)nc4)n23)cc1,XUWZTBLYLFPTFD-UHFFFAOYSA-N,3,1,0.366,62,302,450.477,4.552,6,0.425,0.87,1.0,0.21691453635802893,0.2618651908710849,0.5462785278596395,0.6334212870947844,0.4146198855458844
EOS-3-05417,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cc4Cl)n23)cn1,DIPGVIVGKYULBT-UHFFFAOYSA-N,3,1,0.357,96,46,445.845,3.807,5,0.45,0.73,1.0,0.26586594476046876,0.33237098211226096,0.6685628126927559,0.7162720169967788,0.49576793914056605
EOS-3-05418,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cc(F)ccc5F)ccc4F)n23)cn1,JQQDRMQGGAEBHQ-UHFFFAOYSA-N,3,1,0.361,45,405,446.392,4.037,5,0.449,0.76,0.999,0.27116887122198613,0.41415084641217187,0.8939414707696526,0.9048214652868206,0.6210206634226578
EOS-3-05419,CCNC(=O)c1ccc(-c2nnc3cncc(CCc4nc(-c5cnccn5)no4)n23)cc1,WPQBDKXJOULUBY-UHFFFAOYSA-N,3,1,0.393,85,580,441.455,2.166,5,0.403,0.77,1.0,0.06827839078884243,0.04313446645192242,0.015883078610102117,0.009123774929751216,0.034104927695154545
EOS-3-05420,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5F)nn4)n23)cc1,NPSMFVNGDGQYIZ-UHFFFAOYSA-N,3,1,0.606,89,637,444.43,2.45,5,0.428,0.77,1.0,0.3059420190528408,0.3184154615859091,0.3166421081488589,0.25052258241381675,0.29788054280035636
EOS-3-05421,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)nc2)n1,CRXNMIFWVACKRG-UHFFFAOYSA-N,3,1,0.3,99,356,452.417,2.035,6,0.39,0.76,0.998,0.09693475430059625,0.2016654101843602,0.07045438969227606,0.13494619971215133,0.12600018847234595
EOS-3-05422,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)cn4)n23)cc1,GBVFHXPDCIECEF-UHFFFAOYSA-N,3,1,0.346,25,213,450.441,3.245,6,0.402,0.76,1.0,0.1314080597628675,0.27219690219998627,0.3055393735864574,0.4095675416352546,0.27967796929614147
EOS-3-05423,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)cn2)cn1,ZBMUTGOYOAYVRA-UHFFFAOYSA-N,3,1,0.325,64,449,449.453,3.85,6,0.403,0.83,1.0,0.147539579192653,0.23134123774929752,0.47385374545952985,0.5101261051333014,0.3407151668836954
EOS-3-05424,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(Cl)n5)n4)n23)cn1,NBWPVYPMTIPGLT-UHFFFAOYSA-N,3,1,0.36,29,849,430.819,1.853,5,0.421,0.72,0.886,0.17211808649167296,0.1879411966280584,0.052712288396957026,0.07147385374545953,0.12106135631553697
EOS-3-05425,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccsc5)nc(C)n4)n23)cc1F,ADGJVKHSDNMPNJ-UHFFFAOYSA-N,3,1,0.315,74,768,459.51,4.174,5,0.424,0.86,1.0,0.20314748817764375,0.2159122061544788,0.327496401891577,0.26588307861010213,0.25310979370845044
EOS-3-05426,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nccn5C)c4)n23)cc1,DIOJNCBHNHDLMS-UHFFFAOYSA-N,3,1,0.478,89,731,440.467,2.525,5,0.432,0.77,1.0,0.5136899458570352,0.16671235693235556,0.2401052018367487,0.11287780138441506,0.2583463265026386
EOS-3-05427,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4F)n23)cc1,OQCZAIIFRDBJEU-UHFFFAOYSA-N,3,1,0.518,66,12,428.374,3.202,4,0.474,0.71,1.0,0.8730296072921664,0.5775820711397437,0.8280275512302104,0.6422109519566856,0.7302125454047015
EOS-3-05428,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)cc1F,MWGABXARKLVDNY-UHFFFAOYSA-N,3,1,0.333,61,648,460.86,3.462,5,0.437,0.75,1.0,0.3337759577821945,0.33727126310739497,0.6904513055993421,0.6913851004043589,0.5132209067233227
EOS-3-05429,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(C)cn5)nc4)n23)cc1,KFGVNLFGVCZIRB-UHFFFAOYSA-N,3,1,0.54,89,408,453.466,2.285,5,0.411,0.78,1.0,0.5661366595846755,0.2061459118634775,0.13386676718525117,0.05394592557055719,0.24002381605099035
EOS-3-05430,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncc(C)n5)n4)n23)cc1,MVCVLUDGDSFHGC-UHFFFAOYSA-N,3,1,0.469,89,398,453.466,2.285,5,0.411,0.75,1.0,0.40415324515112055,0.17531354944829003,0.10315434171749709,0.04472791446782263,0.18183726269618256
EOS-3-05431,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1C,BIKXKOYFVNYGIB-UHFFFAOYSA-N,3,1,0.317,62,302,449.518,4.059,6,0.437,0.81,1.0,0.1777979576451237,0.06960626413542595,0.22209752587211296,0.22721197998766363,0.17417843191008156
EOS-3-05432,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)n4)n23)cc1,NKWJZGKFZAUOCU-UHFFFAOYSA-N,3,1,0.394,52,916,466.48,3.265,6,0.409,0.78,1.0,0.16419368103625523,0.18355493112192448,0.23638715646631486,0.2893478856829552,0.21837091357686245
EOS-3-05433,Cc1nc2cc(F)ccc2nc1-c1cncc2nnc(-c3cnc(-c4ccccn4)nc3)n12,OKJXLAWGICVPMG-UHFFFAOYSA-N,3,1,0.327,94,902,435.426,3.701,6,0.414,0.8,1.0,0.2658745116852855,0.31322390514700843,0.21496127749982866,0.29226920704543896,0.27158222534439036
EOS-3-05434,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)cc1,SMNKWUZVSCWJIV-UHFFFAOYSA-N,3,1,0.324,98,882,435.455,2.444,6,0.414,0.73,1.0,0.06617949420875882,0.06209307107120828,0.1057586868617641,0.10390823110136385,0.08448487081077377
EOS-3-05435,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cnc(CO)cn4)n23)cc1,SAGNTGGRMPKJBC-UHFFFAOYSA-N,3,1,0.527,63,536,431.456,1.587,5,0.431,0.82,1.0,0.44769892399424305,0.1706617092728394,0.047289424988006305,0.05013364402714002,0.1789459255705572
EOS-3-05436,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cn2)nn1,WBCVQPWXCVBXPD-UHFFFAOYSA-N,3,1,0.326,70,687,444.462,3.471,6,0.402,0.79,1.0,0.08261942293194435,0.07340997875402645,0.20826194229319445,0.2157751353574121,0.14501661983414432
EOS-3-05437,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)cnn5)nn4)n23)cc1F,IRQORXGNLAOIBT-UHFFFAOYSA-N,3,1,0.327,74,413,434.37,1.467,5,0.45,0.68,1.0,0.03191179494208759,0.15117195531492017,0.24011376876156534,0.25363237612226713,0.16920747378521006
EOS-3-05438,CCc1cnc(C(F)(F)F)c(CCc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)n1,YDRJUZZTLODVAT-UHFFFAOYSA-N,3,1,0.435,66,455,455.444,3.307,4,0.479,0.69,1.0,0.3547734905078473,0.3080666164073744,0.44942087588239327,0.2595778219450346,0.3429597011856624
EOS-3-05439,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,AZMLZFKQVWEOGS-UHFFFAOYSA-N,3,1,0.608,43,402,436.838,3.353,5,0.417,0.79,1.0,0.7837194160784045,0.8886128435336852,0.5886505380028785,0.6592419984922212,0.7300561990267973
EOS-3-05440,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)cn1,LVGMOLGAQDIICR-UHFFFAOYSA-N,3,1,0.544,51,969,436.838,3.353,5,0.417,0.79,1.0,0.7368840381056816,0.8349581934068947,0.6465886505380029,0.6365824823521349,0.7137533411006786
EOS-3-05441,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnn5C)cc4F)n23)cc1,JZNFTOZUTNANTL-UHFFFAOYSA-N,3,1,0.506,89,637,457.469,3.27,5,0.42,0.78,1.0,0.642716400520869,0.347251730518813,0.6405232677678021,0.46329072716057845,0.5234455314920157
EOS-3-05442,N#Cc1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,LKPQPYJFMFHIFO-UHFFFAOYSA-N,3,1,0.452,0,646,412.428,3.285,5,0.543,0.85,1.0,0.30847782879857444,0.3372798300322116,0.6076862449455144,0.6680230964293057,0.4803667500514015
EOS-3-05443,CCc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(C)c3)n12,WOLDPLVIXKCBFD-UHFFFAOYSA-N,3,1,0.309,63,792,427.512,3.753,6,0.506,0.78,1.0,0.0344904393119046,0.03347097525872113,0.009286546501267905,0.02721712014255363,0.026116270303611817
EOS-3-05444,O=C(O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncc(F)c5)n4)n23)cc1F,VBVQWPDZWMRQCW-UHFFFAOYSA-N,3,1,0.327,96,140,430.374,3.892,5,0.461,0.84,1.0,0.28457610856007126,0.13997498457953533,0.770449249537386,0.7351021177438147,0.48252561510520187
EOS-3-05445,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cc1F,RZWCQFPTJISKNO-UHFFFAOYSA-N,3,1,0.381,52,376,468.496,3.629,6,0.4,0.85,1.0,0.1228411349461997,0.12907785621273388,0.015891645534918786,0.08258515523267768,0.08759894798163251
EOS-3-05446,Cn1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)n1,XGHPCJAEFFLBJF-UHFFFAOYSA-N,3,1,0.419,52,310,452.478,3.271,6,0.421,0.76,1.0,0.35478205743266394,0.17948564183400725,0.1460232335001028,0.13291583853060104,0.20330169282434377
EOS-3-05447,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1,DDQYHPSNGKTYPJ-UHFFFAOYSA-N,3,1,0.312,76,968,433.439,2.501,6,0.412,0.75,1.0,0.11189260503049825,0.08387019395517785,0.0887276403262285,0.11288636830923172,0.09934420190528408
EOS-3-05448,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,FNGGZBZQIIIOLJ-UHFFFAOYSA-N,3,1,0.304,98,608,433.439,2.501,6,0.412,0.75,1.0,0.11190117195531492,0.09013261599616201,0.10053286272359674,0.12213008018641629,0.10617418271537249
EOS-3-05449,Cn1cncc1-c1cccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,KOSYCZQXYQZOAI-UHFFFAOYSA-N,3,1,0.459,89,398,466.505,3.058,6,0.392,0.86,1.0,0.3685576725378658,0.10612706462888082,0.13095401274758411,0.11756390925913235,0.18080066479336576
EOS-3-05450,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ccn4)n23)cc1,LMUDSDXGBGQUBA-UHFFFAOYSA-N,3,1,0.535,89,731,442.414,2.46,5,0.424,0.74,1.0,0.6610410527037215,0.2824343773559043,0.36113871564663147,0.2595863888698513,0.39105013364402713
EOS-3-05452,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c(F)c1,QUGYBCUPAXFWRF-UHFFFAOYSA-N,3,1,0.305,25,791,449.453,3.85,6,0.403,0.82,1.0,0.14473819477760264,0.282442944280721,0.4423017613597423,0.5440768281817558,0.35338993214995545
EOS-3-05453,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C)c5)cc(F)n4)n23)cc1F,IPZWWGHBVFCFRO-UHFFFAOYSA-N,3,1,0.341,74,768,446.421,2.892,5,0.426,0.72,1.0,0.19479473648139264,0.21592077307929547,0.6225841272016996,0.5203036118155027,0.3884008121444726
EOS-3-05454,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5Cl)n4)n23)cn1,MTSMEMLJLHLJES-UHFFFAOYSA-N,3,1,0.341,82,336,443.858,2.718,5,0.449,0.71,0.854,0.1863477486121582,0.24671886779521623,0.15846240833390446,0.21578370228222876,0.2018281817558769
EOS-3-05455,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c(F)n2)on1,LGSAFXMFJJFLLB-UHFFFAOYSA-N,3,1,0.348,82,204,456.441,3.243,6,0.4,0.85,1.0,0.27117743814680284,0.29312589952710577,0.10054142964841341,0.13292440545541773,0.19944229319443493
EOS-3-05456,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)c1,BXOSNAHMSWPPPA-UHFFFAOYSA-N,3,1,0.326,94,219,451.429,2.64,6,0.398,0.77,0.999,0.1420567473099856,0.21109759440751147,0.21182578301692825,0.31116784319100815,0.21903699198135834
EOS-3-05457,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nc1,TUYVWHAGKLTIFL-UHFFFAOYSA-N,3,1,0.333,70,687,432.451,3.106,6,0.418,0.77,1.0,0.08703138921252827,0.046929614145706254,0.1777465560962237,0.19498320882735934,0.1266726920704544
EOS-3-05458,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1,GKFRFJPAUIYQTM-UHFFFAOYSA-N,3,1,0.309,25,373,432.451,3.106,6,0.418,0.77,1.0,0.11190973888013159,0.09014118292097868,0.18417174970872455,0.2272205469124803,0.15336080460557877
EOS-3-05459,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(Cl)cc4F)n23)s1,BLDOXCIUBHBKQJ-UHFFFAOYSA-N,3,1,0.364,63,9,441.919,4.323,5,0.483,0.74,0.995,0.1668065931053389,0.12570248783496676,0.24012233568638203,0.460180933452128,0.24820308751970394
EOS-3-05460,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)cn5)cc4F)n23)cc1,JWDGQKFEZWWXFS-UHFFFAOYSA-N,3,1,0.39,62,648,459.872,4.067,5,0.435,0.8,1.0,0.34568398327736277,0.3520920430402303,0.7448769789596327,0.7081248714961278,0.5376944691933384
EOS-3-05461,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,AGJKQBAZIQLTJA-UHFFFAOYSA-N,3,1,0.32,62,302,435.491,3.751,6,0.454,0.73,1.0,0.10929682681104791,0.023002193132753066,0.3275049688163937,0.3552275375231307,0.20375788157083136
EOS-3-05462,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccc(C)cn4)n23)cc1,XXRQETZEIXFYFT-UHFFFAOYSA-N,3,1,0.512,62,637,450.502,4.1,5,0.419,0.87,1.0,0.6339181687341512,0.25167055033925023,0.5529864299910904,0.3842865465012679,0.45571542389143993
EOS-3-05463,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cc4F)n23)c(OC)n1,SOVWZBQPWSTJDM-UHFFFAOYSA-N,3,1,0.327,96,204,455.453,3.423,5,0.433,0.78,1.0,0.4712836680145295,0.4092848331163046,0.43101055445137415,0.3362946336782948,0.41196842231512576
EOS-3-05464,CCn1cc(-c2nc(-c3cncc4nnc(-c5ccc(C(=O)NC)nc5)n34)no2)c(C)n1,IGCGMYYAMJOICP-UHFFFAOYSA-N,3,1,0.326,50,974,430.432,1.788,5,0.441,0.74,0.947,0.17780652456994037,0.08709135768624494,0.00715338222191762,0.0015334795421835378,0.06839618600507162
EOS-3-05465,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnnc(F)c5)cn4)n23)cc1,JZWLMTIKBLRXQW-UHFFFAOYSA-N,3,1,0.408,14,357,440.442,2.733,5,0.447,0.67,1.0,0.23899150161058186,0.17949420875882394,0.4494294428072099,0.3425142210951957,0.3026073435679528
EOS-3-05466,C#Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)ccc1Cl,FIZSTJMCGCKVTF-UHFFFAOYSA-N,3,1,0.588,48,378,417.856,3.365,4,0.503,0.82,1.0,0.916960797752039,0.7033787951476937,0.8115190871084915,0.7051178808854773,0.7842441402234255
EOS-3-05467,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)nc4)n23)cc1,OWGCTSABBNQAAR-UHFFFAOYSA-N,3,1,0.524,89,863,453.466,2.367,5,0.394,0.76,1.0,0.5716023576177095,0.2016739771091769,0.0863032006031115,0.03728325680213831,0.22421569803303404
EOS-3-05468,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c2)n1,ODSKGDWQPOJAPV-UHFFFAOYSA-N,3,1,0.529,43,258,445.418,1.799,5,0.417,0.75,1.0,0.5887447741758618,0.3231272702350764,0.24361764101158248,0.194991775752176,0.3376203652936742
EOS-3-05469,CCn1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2)n1,WCCHKTMKVUHZHZ-UHFFFAOYSA-N,3,1,0.398,61,740,425.456,2.154,5,0.441,0.77,1.0,0.17781509149475705,0.08035775478034404,0.06421766842574189,0.04744362963470632,0.09245853608388732
EOS-3-05470,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c1,CIESXQHKWUYGJN-UHFFFAOYSA-N,3,1,0.267,25,27,446.478,3.414,6,0.405,0.8,1.0,0.07412103351380989,0.03952779110410527,0.1430676444383524,0.19255876910424233,0.11231880954012746
EOS-3-05471,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c(F)c1,IUDLILUYHMTPQN-UHFFFAOYSA-N,3,1,0.329,25,508,453.445,2.583,6,0.4,0.75,1.0,0.24724145020903296,0.3132324720718251,0.19767322321979303,0.24468850661366595,0.25070891302857923
EOS-3-05472,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)cnn1,SPAMQGYYAUBVCY-UHFFFAOYSA-N,3,1,0.571,89,731,438.451,2.63,5,0.428,0.73,1.0,0.48385134672058117,0.12571105475978342,0.3386162703036118,0.19777602631759303,0.28648867452539234
EOS-3-05473,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)nn4)n23)nc1,IJEXMNQHFOTSRT-UHFFFAOYSA-N,3,1,0.343,33,647,450.466,1.916,6,0.411,0.71,1.0,0.05386882324720718,0.023010760057569735,0.019172777739702555,0.030900897813720785,0.03173831471455006
EOS-3-05474,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5F)cn4)n23)cc1,DLZDBRYUUUCSEM-UHFFFAOYSA-N,3,1,0.533,89,943,442.414,2.46,5,0.396,0.8,1.0,0.7368926050304982,0.3570865602083476,0.3911743540538688,0.28935645260777193,0.4436274929751216
EOS-3-05475,Cn1nnnc1-c1cccc(Cc2cncc3nnc(-c4ccc(Cl)c(F)c4F)n23)c1,MLSQNBYKFNZGID-UHFFFAOYSA-N,3,1,0.353,22,784,438.829,3.504,5,0.399,0.83,1.0,0.3523747515591803,0.5722534439037763,0.6932355561647591,0.7851415255979713,0.6007513193064218
EOS-3-05476,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)cc1,LGBCKZITFJYZKU-UHFFFAOYSA-N,3,1,0.314,10,871,435.426,3.635,6,0.417,0.78,0.466,0.015120622301418682,0.11866047563566583,0.46349633335617846,0.5404016174354054,0.2844197621821671
EOS-3-05477,CCn1cc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(-c2cccc(C)n2)n1,CVHLYTLNYFGGIG-UHFFFAOYSA-N,3,1,0.347,74,124,424.468,3.144,5,0.463,0.78,0.991,0.05918888355835789,0.036486532794188196,0.14024055924885204,0.08602049208416147,0.0804841169213899
EOS-3-05478,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccncc4-c4ccccc4)n23)cc1,BVIBLLJNPMOXCU-UHFFFAOYSA-N,3,1,0.524,1,347,436.475,3.792,5,0.435,0.81,1.0,0.6794770749091906,0.25662223288328423,0.5854722088958947,0.45703687204441096,0.49465209718319514
EOS-3-05480,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nncs5)c4)n23)cc1,QPALJXUPRCXEIK-UHFFFAOYSA-N,3,1,0.483,89,398,444.48,2.643,5,0.424,0.76,1.0,0.5215458159139196,0.2618737577959016,0.18076211363169076,0.09750873826331301,0.26542260640120624
EOS-3-05481,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncc(F)c5)s4)n23)cc1,LTBKUIKEFGHJCP-UHFFFAOYSA-N,3,1,0.418,14,357,444.495,4.004,5,0.443,0.74,1.0,0.2549688163936673,0.22113803029264614,0.5462870947844561,0.46648619011719555,0.37222003289699124
EOS-3-05482,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)nn2)cn1,MKMWNWOBCKTKRN-UHFFFAOYSA-N,3,1,0.341,10,507,450.441,3.245,6,0.402,0.77,0.897,0.10184360222054692,0.23619011719553148,0.3839695702830512,0.42866321705160715,0.28766662668768417
EOS-3-05483,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnn(C)c5)c4)n23)cc1,SKAWWAFGVIFBKM-UHFFFAOYSA-N,3,1,0.478,89,398,454.494,2.916,5,0.402,0.79,1.0,0.3385391679802618,0.12908642313755053,0.2946336782948393,0.13973511068466862,0.22549859502433003
EOS-3-05484,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)c1,HYXKMQCNDVGOPV-UHFFFAOYSA-N,3,1,0.39,93,538,434.438,4.445,6,0.44,0.83,1.0,0.3237269549722432,0.40929340004112125,0.7798728668357207,0.8261599616201768,0.5847632958673155
EOS-3-05485,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cc(F)cnc5F)c4)n23)cc1,KJYQFMWCIBBUEV-UHFFFAOYSA-N,3,1,0.356,96,648,443.417,3.553,5,0.427,0.77,1.0,0.31116784319100815,0.2416386813789322,0.77498971969022,0.6969450346103763,0.5061853197176341
EOS-3-05486,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cn5)s4)n23)cn1,OAQPIQICCTXGRL-UHFFFAOYSA-N,3,1,0.361,82,514,432.444,2.871,5,0.465,0.7,0.996,0.2334230004797478,0.2516791172640669,0.1493214995545199,0.13495476663696798,0.19234459598382564
EOS-3-05487,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)s4)n23)cc1,IGYGSGVFZBDYHV-UHFFFAOYSA-N,3,1,0.364,62,302,457.494,4.008,6,0.428,0.84,1.0,0.11763244465766569,0.21110616133232815,0.16168357206497155,0.2834538414090878,0.1934690048660133
EOS-3-05488,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnn(-c5ncccc5F)c4)n23)cc1,CGRVTQGTZUABQP-UHFFFAOYSA-N,3,1,0.5,89,731,444.43,2.45,5,0.428,0.75,1.0,0.3958604619285861,0.3080751833321911,0.31665067507367556,0.21288808169419504,0.30836860050716197
EOS-3-05489,NC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(-c5cncnc5)n4)n23)cc1,OXCPZGJYCXDZDZ-UHFFFAOYSA-N,3,1,0.56,89,731,438.451,2.364,5,0.409,0.76,0.997,0.5162685902268521,0.1706702761976561,0.24719861558494963,0.1572544719347543,0.272847988486053
EOS-3-05490,Cc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5Cl)n34)nc2)nn1C,SXLLCRKEANZJOJ-UHFFFAOYSA-N,3,1,0.392,50,918,445.874,2.71,5,0.45,0.71,1.0,0.1284867384003838,0.2111147282571448,0.19768179014460968,0.17329175519155643,0.17764375299842367
EOS-3-05491,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5nnnn5C)c4)n23)cc1,MFFZOEKBQGUKGR-UHFFFAOYSA-N,3,1,0.286,98,112,436.443,1.839,6,0.406,0.75,1.0,0.05738126242204098,0.027542663285587007,0.06422623535055856,0.07917551915564389,0.057081420053457614
EOS-3-05492,COc1ncc(-c2nnc3cncc(OCc4c(F)cc(Br)cc4F)n23)cn1,QCBVJVPKTKYIJE-UHFFFAOYSA-N,3,1,0.519,90,811,449.215,3.21,4,0.463,0.7,1.0,0.7491518744431499,0.6395809060379686,0.7270320745665136,0.6451237063943527,0.6902221403604962
EOS-3-05493,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1Cl,UDFSJMQTMRMCMM-UHFFFAOYSA-N,3,1,0.341,61,648,430.859,3.256,5,0.452,0.75,1.0,0.29286032485778907,0.2876602014940717,0.4912103351380988,0.4727229113837297,0.3861134432184223
EOS-3-05494,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cn2)cn1,SMEKACLHUSPISE-UHFFFAOYSA-N,3,1,0.346,42,762,449.453,3.85,6,0.403,0.81,1.0,0.13924679597011858,0.23619868412034817,0.552994996915907,0.510134672058118,0.35964378726612295
EOS-3-05495,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccc4F)n23)cc1,OSLOGANXXDVLFS-UHFFFAOYSA-N,3,1,0.511,89,230,455.453,3.326,5,0.418,0.79,1.0,0.7694297854842026,0.44090535261462543,0.7037814406140772,0.5698204372558426,0.620984253992187
EOS-3-05496,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nn[nH]n5)c(F)c4)n23)nc1,JDAUXJRWPWYNIX-UHFFFAOYSA-N,3,1,0.452,33,760,446.406,1.444,5,0.395,0.8,1.0,0.5188215338222192,0.4093019669659379,0.21496984442464534,0.1468456582825029,0.32248475087382633
EOS-3-05497,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(C)n5)ncn4)n23)nc1,ATHQYBVZPPAXFI-UHFFFAOYSA-N,3,1,0.39,33,53,453.466,2.285,5,0.411,0.74,0.76,0.3617469673086149,0.12207867863751627,0.11979987663628264,0.048805770680556505,0.16310782331574256
EOS-3-05498,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(C)nn5)n4)n23)cc1,NOJLMPCEUWIIIL-UHFFFAOYSA-N,3,1,0.457,89,398,453.466,2.285,5,0.411,0.74,1.0,0.39150846412171886,0.15118052223973683,0.13387533411006786,0.05989993831814132,0.1841160646974162
EOS-3-05499,CCc1cc(CN2CCC2)nc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)n1,NUFISCQMVBFVIK-UHFFFAOYSA-N,3,1,0.394,63,66,445.487,1.422,5,0.427,0.75,1.0,0.2282057432663971,0.0933023781783291,0.000719621684600096,0.0003512439174833802,0.08064474676170241
EOS-3-05500,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5OC)cc4)n23)cc1,AFZCXSRNPDLIJY-UHFFFAOYSA-N,3,1,0.386,62,472,435.487,4.494,5,0.44,0.88,1.0,0.3958690288534028,0.1551555753546707,0.7219004866013295,0.5794153930505106,0.4630851209649784
EOS-3-05501,CCc1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc(C(F)(F)F)n1,SPHHFESUJBVYNP-UHFFFAOYSA-N,3,1,0.411,68,127,435.797,3.79,4,0.471,0.75,0.985,0.5887533411006785,0.8163851004043589,0.7749982866150367,0.6564234802275375,0.7091400520869029
EOS-3-05502,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)s5)c4)n23)cc1,KKUUMHAAROWEQW-UHFFFAOYSA-N,3,1,0.517,89,637,457.519,3.557,5,0.415,0.82,1.0,0.4913474059351655,0.22641525597971351,0.23639572339113152,0.13070557192790075,0.2712159893084778
EOS-3-05503,OCc1cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)c(F)c4)n23)ccc1Cl,CGVDXKOJMDCDNP-UHFFFAOYSA-N,3,1,0.321,96,46,432.846,4.2,5,0.458,0.79,1.0,0.4041618120759372,0.6395894729627852,0.9253221163731067,0.9376242204098417,0.7266744054554177
EOS-3-05504,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5csnn5)c4)n23)cc1,GBXRMRYHECKZAE-UHFFFAOYSA-N,3,1,0.536,89,656,430.453,2.383,5,0.434,0.77,1.0,0.42938283873620725,0.15118908916455348,0.25789013775615105,0.1733003221163731,0.2529405969433212
EOS-3-05505,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(C)nn5)cs4)n23)cc1,WIPAMCFAHOXDEQ-UHFFFAOYSA-N,3,1,0.35,74,423,428.481,3.04,5,0.468,0.72,1.0,0.10185216914536357,0.09949626482077993,0.09815125762456309,0.0569529161812076,0.08911315194297853
EOS-3-05506,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(C(=O)N4CCC4)nc3)n12,WABVSTGMCWBHQH-UHFFFAOYSA-N,3,1,0.34,0,169,413.441,2.107,5,0.547,0.83,0.999,0.0920259063806456,0.039536358028921935,0.004351997806867247,0.006767870605167569,0.03567053320540058
EOS-3-05507,N#Cc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1F,GSHIHMUGRCNXML-UHFFFAOYSA-N,3,1,0.364,63,505,414.404,2.075,5,0.53,0.79,0.959,0.11497669796449866,0.18356349804674113,0.17459392776368995,0.23598451099993145,0.17727965869371531
EOS-3-05508,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncccn5)ncn4)n23)nc1,VETCCSRVMSOFNR-UHFFFAOYSA-N,3,1,0.382,33,53,466.465,1.904,6,0.377,0.81,1.0,0.28742889452402165,0.0995048317455966,0.022959358508669727,0.022882256185319718,0.10819383524090191
EOS-3-05509,Cc1ccc(-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)c(-c2ccc(F)cn2)n1,PVHPDNIOQDVQDR-UHFFFAOYSA-N,3,1,0.282,94,151,450.441,3.339,6,0.402,0.79,0.998,0.01596018093345213,0.1627887053663217,0.3800459187170173,0.37823829758070043,0.2342582756493729
EOS-3-05510,CCc1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccn1,OWXFQYQJDHHCKP-UHFFFAOYSA-N,3,1,0.291,52,523,462.517,3.765,6,0.409,0.83,0.996,0.05387739017202385,0.062101637996024944,0.0954869440065794,0.11526797340826538,0.0816834863957234
EOS-3-05511,Cn1c(-c2cc(Cl)ccc2F)nnc1-c1cncc2nnc(-c3ccc(C#N)cc3)n12,NBDKYWFGGMJPDA-UHFFFAOYSA-N,3,1,0.459,22,311,430.834,3.918,5,0.43,0.84,1.0,0.26042594750188475,0.5396991296004386,0.6743369200191899,0.8201716811733261,0.5736584195737098
EOS-3-05512,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccc(F)c(F)c4)n23)cc1,VKFOYGGZVODARG-UHFFFAOYSA-N,3,1,0.406,62,124,445.433,3.497,5,0.457,0.71,1.0,0.1948033034062093,0.2467274347200329,0.7164005208690288,0.6479422246590364,0.45146837091357683
EOS-3-05513,Cn1cncc1-c1cncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1F,VQWACYBAEMAAOW-UHFFFAOYSA-N,3,1,0.398,52,916,468.496,3.209,6,0.411,0.78,0.997,0.18941470769652524,0.22114659721746283,0.30188129668974023,0.32652833938729353,0.2597427352477555
EOS-3-05514,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4cnc(S(=O)(=O)C5CC5)cn4)n23)cc1,LEIHLSSMINVOII-UHFFFAOYSA-N,3,1,0.363,63,437,467.486,1.884,5,0.436,0.73,1.0,0.08476115413611131,0.11254369131656501,0.007161949146734288,0.02541806593105339,0.057471215132616
EOS-3-05515,CCn1cc(-c2cncc3nnc(-c4ccc(C(=O)NCCC#N)cc4OC)n23)cn1,FQWKXDFWEZVTFN-UHFFFAOYSA-N,3,1,0.316,63,792,416.445,2.327,4,0.459,0.88,1.0,0.04740936193543965,0.020766225755602767,0.1430762113631691,0.05833219107669111,0.06739599753272565
EOS-3-05516,Cc1nc(C)c(-c2nnc3cncc(Cc4ccc(C(=O)N5CC(F)C5)cc4)n23)s1,IYGGNSNCPJITBJ-UHFFFAOYSA-N,3,1,0.371,63,334,422.489,3.249,5,0.505,0.75,0.996,0.1507607429237201,0.139983551504352,0.01743369200191899,0.03521006099650469,0.08584701185662394
EOS-3-05517,Cn1nccc1-c1cccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,QIBDAVPGGAHWEE-UHFFFAOYSA-N,3,1,0.506,89,637,465.517,3.663,6,0.394,0.88,1.0,0.37314954423959973,0.09014974984579535,0.2983859913645398,0.2744928380508533,0.259044530875197
EOS-3-05518,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)nc1,DYFONVHZHLPUMJ-UHFFFAOYSA-N,3,1,0.325,94,507,451.429,2.64,6,0.398,0.76,1.0,0.24994003152628333,0.3231358371598931,0.18418031663354123,0.2775340963607703,0.258697570420122
EOS-3-05519,COc1cc(-c2nnc3cncc(Cc4cnnc(Cl)c4)n23)ccc1C(F)(F)F,GTKWLZJAXOYFBC-UHFFFAOYSA-N,3,1,0.381,66,225,420.782,3.853,4,0.499,0.79,0.999,0.6822955931738743,0.7033873620725104,0.9786255225824139,0.9480930025358097,0.8281003700911521
EOS-3-05520,COc1nc(C)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)s1,XNMSTYFCWJRJHM-UHFFFAOYSA-N,3,1,0.353,63,306,424.461,3.263,5,0.529,0.75,0.999,0.2819032280172709,0.28766876841888833,0.054708381879240625,0.0714824206702762,0.17394069974641901
EOS-3-05521,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5F)nc4)n23)cc1)N1CCCC1,UXRGBORYIIUZRW-UHFFFAOYSA-N,3,1,0.352,52,800,466.48,3.685,6,0.372,0.88,1.0,0.12284970187101638,0.10950243300664793,0.013355835789185115,0.06962339798505929,0.07883284216297717
EOS-3-05522,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccn6)n5)n34)cc2)nc1,QKJSGNBZOFFDPW-UHFFFAOYSA-N,3,1,0.317,8,927,437.402,2.425,6,0.409,0.77,1.0,0.05388595709684052,0.15516414227948735,0.09549551093139606,0.14432698238640257,0.11221814817353162
EOS-3-05523,Cn1c(Cc2ccc(Cl)nn2)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,NCLFMRRBNSNNMP-UHFFFAOYSA-N,3,1,0.413,22,311,438.282,3.274,5,0.425,0.78,1.0,0.20584606949489412,0.44091391953944215,0.11702419299568227,0.3489736824069632,0.27818946610924544
EOS-3-05524,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccn2)n1,DYBKWNOHNUMUMY-UHFFFAOYSA-N,3,1,0.506,89,731,439.439,2.025,5,0.419,0.72,1.0,0.48128126927558085,0.1471197998766363,0.14308477828798574,0.07918408608046056,0.21266748338016586
EOS-3-05525,Cc1nnc(-c2ncccc2COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)o1,ZJCCCOOKCDYBGQ-UHFFFAOYSA-N,3,1,0.5,89,398,428.412,2.223,5,0.43,0.78,1.0,0.45940134329381127,0.14712836680145294,0.08873620725104517,0.04609005551367281,0.18533899321499556
EOS-3-05526,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cc(F)c(C)cn5)cc4)n23)cc1,JUHWBRWXOPFHPE-UHFFFAOYSA-N,3,1,0.512,62,528,454.465,4.453,5,0.422,0.84,1.0,0.8685234048385991,0.5828764306764443,0.7322493317798643,0.5885049002809951,0.6930385168939757
EOS-3-05527,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cc1,XFBYZKBWOYOROE-UHFFFAOYSA-N,3,1,0.324,25,508,434.467,3.049,6,0.42,0.76,1.0,0.12553971626345006,0.06961483106024262,0.24720718250976628,0.25674216983071757,0.17477597491604413
EOS-3-05528,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5csnn5)c(F)c4)n23)cc1,NMXLZZCOMXTNQX-UHFFFAOYSA-N,3,1,0.389,52,916,472.509,3.327,6,0.404,0.84,0.993,0.055573641285724076,0.16279727229113838,0.13713933246521828,0.20389281063669384,0.13985076416969364
EOS-3-05529,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)cn4)n23)cc1F,BKKNRYNGABCSAD-UHFFFAOYSA-N,3,1,0.365,62,802,467.439,4.052,5,0.391,0.92,1.0,0.2928688917826057,0.34726029744362963,0.8430368035090124,0.8361404290315948,0.5798266054417107
EOS-3-05530,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)nn1,DQDSVBIUTHYSRQ-UHFFFAOYSA-N,3,1,0.319,98,882,435.455,2.444,6,0.414,0.75,1.0,0.03579261188403811,0.0230193269823864,0.13714789939003497,0.12446885066136659,0.08010717222945651
EOS-3-05531,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5F)cc4)n23)cn1,YRSWDGPIPJNYLU-UHFFFAOYSA-N,3,1,0.349,0,688,431.431,2.053,5,0.5,0.64,1.0,0.23900006853539854,0.17067884312247275,0.40579809471592077,0.26271331642793505,0.2695475807004318
EOS-3-05532,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ncnc(-c4ccc(F)nc4)n3)n12,AXOMZLQJWPDICH-UHFFFAOYSA-N,3,1,0.327,29,849,427.403,2.252,5,0.431,0.73,0.952,0.2169231032828456,0.2264238229045302,0.214978411349462,0.17330888904118977,0.20790855664450691
EOS-3-05533,CNC(=O)c1ccc(-c2nnc3cncc(OCc4csc(-c5ncccn5)n4)n23)cc1,HKYOISSBSBXVFE-UHFFFAOYSA-N,3,1,0.495,89,770,444.48,2.643,5,0.424,0.79,1.0,0.4293914056610239,0.30302069769035705,0.07267322321979303,0.03195462956617093,0.2092599890343362
EOS-3-05534,COc1cnc(-c2nccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)n2)nc1,XUKXQFSQHJIZEZ-UHFFFAOYSA-N,3,1,0.276,33,432,466.465,2.001,6,0.394,0.81,0.814,0.30848639572339115,0.10613563155369748,0.01661126721951888,0.014915016105818656,0.11153707765060654
EOS-3-05535,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)nc1,QZRUSCPYTPBCKN-UHFFFAOYSA-N,3,1,0.588,46,294,436.838,3.353,5,0.417,0.8,0.985,0.6610496196285381,0.635134672058118,0.5791241176067439,0.6067610170653143,0.6205173565896785
EOS-3-05536,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(-c5cnn(C)c5)n4)n23)cc1F,HREYKXLIKZLZLD-UHFFFAOYSA-N,3,1,0.34,74,768,462.876,3.406,5,0.439,0.78,1.0,0.24181858680008225,0.342325748749229,0.5360838873278048,0.5101432389829347,0.4075928654650126
EOS-3-05537,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cncc(F)c5)nc4)n23)cc1,CFHASTNEGAZXQK-UHFFFAOYSA-N,3,1,0.305,42,106,450.441,3.245,6,0.402,0.78,1.0,0.252527242820917,0.24673600164484957,0.33133438420944417,0.3585772051264478,0.29729370845041464
EOS-3-05538,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c(F)c1,AFNBLTYCBIHHAA-UHFFFAOYSA-N,3,1,0.296,42,219,450.441,3.245,6,0.402,0.78,1.0,0.15343362346652045,0.25168768418888354,0.38005448564183403,0.44769035706942634,0.3082165375916661
EOS-3-05539,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccc(F)c5)c4)n23)cc1,JHLHPYXCMCPQMM-UHFFFAOYSA-N,3,1,0.361,62,341,450.477,4.552,6,0.425,0.87,1.0,0.18942327462134192,0.1968250976629429,0.5949215269686793,0.6884894798163251,0.41741484476732227
EOS-3-05540,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)s4)n23)nc1,YYLJMOBBVZIKIK-UHFFFAOYSA-N,3,1,0.293,76,387,437.492,3.772,6,0.414,0.82,1.0,0.09935062709889658,0.11255225824138167,0.1252655746693167,0.20072304845452676,0.13447287711603043
EOS-3-05541,CCn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)ccn1,JAIQSSTZTQHOGG-UHFFFAOYSA-N,3,1,0.463,89,398,455.482,2.403,5,0.397,0.81,1.0,0.35026728805428003,0.11256082516619834,0.08138578575834418,0.03620382427523816,0.14510443081351518
EOS-3-05542,COc1nc(C(F)(F)F)ncc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,BJOKWWHPRJFBJR-UHFFFAOYSA-N,3,1,0.64,68,900,436.781,3.841,4,0.469,0.75,1.0,0.9831659927352477,0.9739137139332465,0.8704081282982661,0.7351106846686314,0.8906496299088479
EOS-3-05543,Cc1cnc(-c2nccnc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,VPZLZVJMJDMQKB-UHFFFAOYSA-N,3,1,0.326,82,974,450.466,2.301,6,0.427,0.71,0.999,0.09203447330546227,0.05834075800150778,0.014589472962785278,0.018975738468919198,0.04598511068466864
EOS-3-05544,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c(F)c1,LMFZIWGBVXKCIP-UHFFFAOYSA-N,3,1,0.734,23,406,457.868,4.094,4,0.452,0.78,1.0,0.7920893016242889,0.629951682544034,0.8317370296758275,0.7944623397985059,0.7620600884106641
EOS-3-05545,OCc1nc(-c2ccc(-c3cncc4nnc(-c5cc(F)ccc5F)n34)c(F)c2)no1,SBDYZPUUAYIUES-UHFFFAOYSA-N,3,1,0.35,45,46,424.342,3.418,5,0.472,0.81,1.0,0.40865088067987115,0.5535689808786238,0.8071242546775409,0.8458810225481461,0.6538062846960455
EOS-3-05546,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cc1,MSUPVFSUWRCGMT-UHFFFAOYSA-N,3,1,0.305,42,369,431.463,3.711,6,0.419,0.8,1.0,0.1367623877732849,0.039544924953738604,0.35380542800356385,0.34898224933177985,0.2197737475155918
EOS-3-05547,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nn4)n23)nc1)N1CCCC1,DAODUICKCDUWKC-UHFFFAOYSA-N,3,1,0.319,52,821,454.519,3.608,6,0.409,0.79,0.28,0.015129189226235351,0.007170516071550956,0.0025358097457336714,0.011556781577684874,0.009098074155301214
EOS-3-05548,N#Cc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)ccc1F,VWAHWZMODDZXQH-UHFFFAOYSA-N,3,1,0.392,63,5,414.404,2.075,5,0.53,0.82,1.0,0.18362346652045783,0.272205469124803,0.11382016311424852,0.17331745596600645,0.18574163868137894
EOS-3-05549,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC(C)(C)C)cc4)n23)cc1,PZEYJGRGCUGNNU-UHFFFAOYSA-N,3,1,0.329,61,269,452.522,3.782,5,0.445,0.79,1.0,0.18363203344527448,0.0334795421835378,0.33501816188061134,0.14433554931121925,0.17411632170516073
EOS-3-05550,COc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,GFOWDTMMDFQLFQ-UHFFFAOYSA-N,3,1,0.341,61,269,467.493,2.55,6,0.404,0.85,1.0,0.21970735384826262,0.09015831677061202,0.0726817901446097,0.07348708107737646,0.1140086354602152
EOS-3-05551,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nccn5C)ncn4)n23)cc1,BTKQQUYEIJPZOX-UHFFFAOYSA-N,3,1,0.443,89,463,441.455,1.92,5,0.424,0.75,1.0,0.42467959701185665,0.16280583921595504,0.12272976492358303,0.048814337605373175,0.18975738468919195
EOS-3-05552,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)n5)nc4)n23)cn1,NMQPACXAKDFXJF-UHFFFAOYSA-N,3,1,0.301,82,514,453.441,2.737,6,0.403,0.77,1.0,0.21693167020766227,0.155172709204304,0.07485778904804331,0.12861524227263382,0.14389435268316086
EOS-3-05553,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)cc4F)n23)cc1,IREZNTJGBZABIO-UHFFFAOYSA-N,3,1,0.366,62,341,450.477,4.552,6,0.425,0.86,1.0,0.2683931875813858,0.26188232472071826,0.6047991912822973,0.6769412651634569,0.4530039921869645
EOS-3-05554,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(OCC5CCOCC5)cnn4)n23)nc1,YCVNFDWENOXPOB-UHFFFAOYSA-N,3,1,0.291,63,686,472.509,2.341,6,0.431,0.79,0.999,0.055582208210540746,0.0030840929340004114,0.006151052018367487,0.02909327667740388,0.02347765746007813
EOS-3-05555,COCCNC(=O)c1nccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)n1,KBSKJUGNMHYXDY-UHFFFAOYSA-N,3,1,0.457,90,636,457.853,2.329,4,0.401,0.76,1.0,0.352383318483997,0.27221403604961963,0.12802412446028374,0.14933863340415324,0.2254900280995134
EOS-3-05556,CC1CCC(C)N1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)o1,PINKVLFCXZQOJM-UHFFFAOYSA-N,3,1,0.375,0,175,430.468,3.163,5,0.531,0.66,1.0,0.09935919402371325,0.025289562058803373,0.08874477417586184,0.06453464464395861,0.06948204372558428
EOS-3-05557,OCc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1Cl,WBWFAIFFAHORTM-UHFFFAOYSA-N,3,1,0.536,90,281,435.246,3.141,4,0.497,0.69,1.0,0.8341871701733946,0.9176632855870057,0.7543434308820506,0.8261685285449935,0.8330906037968611
EOS-3-05558,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-n5ccnn5)nc4)n23)cc1F,IKNXCTVAPOCFJJ-UHFFFAOYSA-N,3,1,0.352,85,306,456.445,1.784,6,0.409,0.75,1.0,0.05738982934685765,0.12909499006236722,0.05093036803509012,0.08602905900897814,0.08086106161332329
EOS-3-05559,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5cncc(Cl)c5)c4)n23)cc1,FQSMAFWWDORCMH-UHFFFAOYSA-N,3,1,0.412,14,357,455.909,3.852,5,0.432,0.77,1.0,0.22821431019121377,0.25169625111370025,0.6225926941265163,0.5794239599753273,0.4204818038516894
EOS-3-05560,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)cs4)n23)cc1,FMVGKCHUQMEDHI-UHFFFAOYSA-N,3,1,0.5,89,731,429.465,2.988,5,0.44,0.78,1.0,0.5162771571516689,0.29810328284558973,0.3166592419984922,0.21843088205057912,0.3373676410115825
EOS-3-05561,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnn(C)c6)c5)n34)cc2)nn1,ULOKYZKEPXQFGD-UHFFFAOYSA-N,3,1,0.275,98,150,434.467,3.143,6,0.42,0.75,1.0,0.00367521074635049,0.018787266122952506,0.3091032143101912,0.2567507367555342,0.1470791069837571
EOS-3-05562,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cc4F)n23)cc1,FDUPWWPTBUQKSP-UHFFFAOYSA-N,3,1,0.359,62,341,469.455,4.086,6,0.417,0.86,1.0,0.2900846412171887,0.2824515112055377,0.5762713316427935,0.6365910492769515,0.44634963333561783
EOS-3-05563,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cncc(C)n5)n4)n23)cc1F,KSCACNYDJATXMQ-UHFFFAOYSA-N,3,1,0.324,29,849,456.445,2.298,5,0.422,0.71,0.806,0.22822287711603043,0.23620725104516482,0.07486635597285998,0.05395449249537386,0.14831274415735726
EOS-3-05564,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cc2)nn1,NZRSEOFIWGMNLM-UHFFFAOYSA-N,3,1,0.324,62,302,465.492,4.255,6,0.417,0.86,1.0,0.2140446165444452,0.24674456856966623,0.4020629154958536,0.4632992940853951,0.33153784867384
EOS-3-05565,Cc1ncncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,ZYJSWCZRJIJDAY-UHFFFAOYSA-N,3,1,0.349,62,341,465.492,4.255,6,0.417,0.86,0.997,0.24725001713384964,0.2517048180385169,0.48439106298403123,0.5101518059077513,0.3733744260160373
EOS-3-05566,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)no5)cn4)n23)cc1,MJUZTIDVRHMKAI-UHFFFAOYSA-N,3,1,0.536,89,731,441.451,3.088,5,0.427,0.76,1.0,0.38704509629223494,0.21592934000411212,0.31666780892330887,0.15191727777397027,0.2678898807484066
EOS-3-05567,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncccc4-c4cnc(C)cn4)n23)cc1,WANDXSCEJANMFH-UHFFFAOYSA-N,3,1,0.484,89,731,452.478,2.89,5,0.418,0.76,1.0,0.3778956205880337,0.18794976355287507,0.22927660886848056,0.11036769241313138,0.22637242135563018
EOS-3-05568,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)c(C)c1,ZMERWYSRSFAFPZ-UHFFFAOYSA-N,3,1,0.462,89,398,452.478,2.89,5,0.418,0.76,1.0,0.4086594476046878,0.13247035844013433,0.29464224521965593,0.15445308751970394,0.24755628469604551
EOS-3-05569,c1ccc(-c2ncc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)cn2)nc1,UPXJPDJEACZQDG-UHFFFAOYSA-N,3,1,0.28,94,874,431.423,2.557,6,0.41,0.75,1.0,0.09694332122541292,0.06962339798505929,0.12527414159413336,0.13496333356178467,0.10670104859159757
EOS-3-05570,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5nccn5C)c4)n23)cc1F,GPLCXDYZXMJXGC-UHFFFAOYSA-N,3,1,0.322,74,413,429.419,2.148,5,0.465,0.69,0.997,0.20315605510246043,0.1551812761291207,0.25439483243095057,0.20073161537934342,0.20336594476046876
EOS-3-05571,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)nc1,HUOMLLWKKAVHGD-UHFFFAOYSA-N,3,1,0.289,86,812,433.439,2.501,6,0.412,0.75,1.0,0.11764101158248236,0.05427146871359057,0.07915838530601055,0.08784524707011171,0.0847290281680488
EOS-3-05572,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cc(C)nn5C)nc4)n23)cn1,AGDWWRLECZRHBB-UHFFFAOYSA-N,3,1,0.312,82,336,425.456,2.317,5,0.47,0.76,1.0,0.13925536289493523,0.07688815022959358,0.09550407785621273,0.043417174970872455,0.0887661914879035
EOS-3-05573,Cc1ccnnc1-c1nnc2cncc(-c3ccc(C(=O)N4Cc5ccccc5C4)cc3F)n12,KKAUBHZBJGNRRG-UHFFFAOYSA-N,3,1,0.35,62,124,451.465,3.852,6,0.414,0.82,1.0,0.14754814611746966,0.1795027756836406,0.24362620793639916,0.35858577205126446,0.23231572544719348
EOS-3-05574,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cc1,GPWRIUFVAXRQAO-UHFFFAOYSA-N,3,1,0.321,10,158,436.414,3.03,6,0.414,0.78,0.991,0.03580117880885477,0.19220752518675896,0.20112569392091015,0.3329878006990611,0.19053054965389624
EOS-3-05575,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)nn(C)c5C)cc4F)n23)cc1,YEWIFNCKGQPGMJ-UHFFFAOYSA-N,3,1,0.36,62,124,455.497,3.974,5,0.443,0.78,1.0,0.20585463641971077,0.2362158179699815,0.4599153587828113,0.3265369063121102,0.30713067987115344
EOS-3-05576,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cn4)n23)cc1,PRKWZGGZQUVQNV-UHFFFAOYSA-N,3,1,0.375,85,357,423.44,1.989,5,0.455,0.7,1.0,0.1314166266876842,0.02302789390720307,0.2082705092180111,0.13071413885271743,0.12335729216640395
EOS-3-05577,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cc4F)n23)c(F)c1,JTUZXSCUMDHFNA-UHFFFAOYSA-N,3,1,0.404,66,685,474.393,3.966,5,0.443,0.81,1.0,0.33854773490507845,0.49897196902199986,0.9207045438969228,0.8933503529573025,0.6628936501953259
EOS-3-05578,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)nc1,KIPIRNZZQSZSHL-UHFFFAOYSA-N,3,1,0.333,32,301,449.453,3.85,6,0.403,0.82,1.0,0.1447467617024193,0.23622438489479816,0.4531817558769104,0.5069477760263176,0.3352751696251114
EOS-3-05579,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(F)cc4F)n23)c(C)c1,HDTCUYVJXIFRPP-UHFFFAOYSA-N,3,1,0.354,96,648,446.417,4.06,5,0.447,0.78,1.0,0.3211140429031595,0.4047015283393873,0.6850284421903914,0.6189003495305325,0.5074360907408677
EOS-3-05580,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccncc4)n23)c1,XBMFTZDXVLVUNY-UHFFFAOYSA-N,3,1,0.284,39,495,433.439,2.501,6,0.412,0.77,1.0,0.06432903844835858,0.015703173188952094,0.07698238640257693,0.117572476183949,0.06864676855595915
EOS-3-05581,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nc2)n1,HKUWAPRCZUNVKA-UHFFFAOYSA-N,3,1,0.31,94,342,433.439,2.501,6,0.412,0.77,1.0,0.11498526488931533,0.062110204920841613,0.0769909533273936,0.10811459118634775,0.09055025358097457
EOS-3-05582,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cn1,BAMYDCMYZHXXHY-UHFFFAOYSA-N,3,1,0.298,70,812,433.439,2.501,6,0.412,0.77,1.0,0.11764957850729901,0.03955349187855527,0.07699952025221027,0.08785381399492838,0.08051410115824824
EOS-3-05583,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)c(F)c2)ncc1F,RPOXKVXFKOTBAZ-UHFFFAOYSA-N,3,1,0.384,96,46,461.407,3.74,5,0.436,0.76,1.0,0.3708279076142828,0.39026626002330206,0.7704578164622027,0.7295336166129806,0.565271400178192
EOS-3-05584,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cscn5)cn4)n23)cc1,BBJJKWQQDWBOHH-UHFFFAOYSA-N,3,1,0.489,89,731,444.48,2.643,5,0.424,0.74,1.0,0.46876499211842915,0.2722226029744363,0.16169213898978824,0.08086320334452744,0.2458857343567953
EOS-3-05585,Cc1ncc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)n1C,JIEXOWLZAPZWRJ-UHFFFAOYSA-N,3,1,0.398,14,357,424.468,2.585,5,0.463,0.72,1.0,0.16145226509492153,0.08036632170516071,0.21844801590021246,0.11758104310876567,0.14446191145226508
EOS-3-05586,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccncc4)n23)cc1,XQYBEEWSDKXFBF-UHFFFAOYSA-N,3,1,0.291,64,495,432.451,3.106,6,0.418,0.8,1.0,0.08966143513124529,0.012996024946885067,0.1647847988486053,0.19500034267699268,0.11561065040093209
EOS-3-05587,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(C(F)F)n5)nn4C)n23)cc1,HFSYLILZLSMMML-UHFFFAOYSA-N,3,1,0.352,74,333,461.436,2.946,5,0.428,0.75,0.326,0.19758755397162633,0.2111232951819615,0.24721574943458297,0.17585326571174012,0.20794496607497773
EOS-3-05588,COc1ncc(-c2nnc3cncc(Cc4cccc(-c5cc(F)ccn5)c4)n23)cc1F,RNGQGGJLXCXXME-UHFFFAOYSA-N,3,1,0.38,14,358,430.418,4.126,5,0.417,0.87,1.0,0.4888287300390652,0.5535775478034405,0.7843276677403879,0.7506596532108835,0.6443483996984443
EOS-3-05589,Cn1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)n1,QZCFHWOFALMORE-UHFFFAOYSA-N,3,1,0.44,89,463,468.481,1.848,6,0.379,0.84,1.0,0.3313429511342608,0.1589592899732712,0.025932081420053456,0.022890823110136384,0.13478128640943046
EOS-3-05590,Cc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)nn1,HPIJPSVUYUJWHN-UHFFFAOYSA-N,3,1,0.308,98,882,436.443,1.933,6,0.407,0.74,1.0,0.0019361250085669249,0.014332465218285245,0.06025974916044137,0.05396305942019053,0.032622849701871015
EOS-3-05591,Cc1nc(-c2c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cnn2C)ncc1F,XCZQZHAADVUBTE-UHFFFAOYSA-N,3,1,0.333,74,295,469.484,2.989,6,0.421,0.81,1.0,0.120048317455966,0.15518984305393735,0.06423480227537523,0.08786238091974505,0.10683383592625592
EOS-3-05592,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c(F)c1,MCSWYEIEDSJLCL-UHFFFAOYSA-N,3,1,0.35,61,648,446.421,3.114,5,0.443,0.72,1.0,0.3033376739085738,0.21593790692892878,0.44231032828455896,0.44769892399424305,0.35232120827907615
EOS-3-05593,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)c(F)c4)n23)nc1,RYFUZJRJYMWPES-UHFFFAOYSA-N,3,1,0.443,68,457,433.325,2.417,4,0.48,0.68,1.0,0.7250959495579467,0.5261376876156535,0.8619440065793983,0.665076074292372,0.6945634295113425
EOS-3-05594,O=C(c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)nc1)N1CCC1,JLNASNRYLOXCFZ-UHFFFAOYSA-N,3,1,0.327,52,821,452.453,3.295,6,0.412,0.79,0.926,0.2197159207730793,0.25171338496333356,0.025940648344870126,0.13293297238023438,0.15757573161537936
EOS-3-05595,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(F)nc5)n4)n23)c(F)c1,FSXBZTYXAXQMSK-UHFFFAOYSA-N,3,1,0.34,74,155,444.405,2.948,5,0.424,0.74,1.0,0.2362672195188815,0.277311356315537,0.5886591049276951,0.5267630731272702,0.40725018847234595
EOS-3-05596,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnc(Cl)c5)n4)n23)cc1,BMALRXYISYPXIK-UHFFFAOYSA-N,3,1,0.336,29,849,469.896,3.251,6,0.389,0.87,1.0,0.21972448769789596,0.19683366458775958,0.11703275992049894,0.1977845932424097,0.18284387636214103
EOS-3-05597,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(Cc4ccc(Br)cc4)n23)cc1,FEGJAFJKDWARQZ-UHFFFAOYSA-N,3,1,0.478,0,646,466.314,3.985,5,0.483,0.69,1.0,0.3289270783359605,0.3472688643684463,0.8446559522993626,0.8096257967240079,0.5826194229319444
EOS-3-05598,O=C(c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cn1)N1CCOCC1,IKAQPDAPCAYKPB-UHFFFAOYSA-N,3,1,0.386,82,229,465.477,2.178,6,0.393,0.82,1.0,0.010417380577068055,0.0016791172640668905,0.0033496676033171135,0.008070043177301076,0.005879052155438284
EOS-3-05599,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)nn5)cn4)n23)cc1,PNMGMADJCXFFNB-UHFFFAOYSA-N,3,1,0.366,74,918,428.391,1.599,5,0.452,0.69,1.0,0.20586320334452746,0.16672092385717224,0.1402491261736687,0.09357651977246248,0.1516024432869577
EOS-3-05600,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cc4F)n23)cn1,HFMWBSDRAUEEOW-UHFFFAOYSA-N,3,1,0.345,50,974,428.391,1.599,5,0.452,0.69,1.0,0.24421732574874924,0.23623295181961484,0.17107292166403948,0.1443441162360359,0.19896682886710987
EOS-3-05601,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cn4)n23)cc1F,NYRYUJLQYAKKFN-UHFFFAOYSA-N,3,1,0.361,50,845,428.391,1.599,5,0.452,0.69,1.0,0.23343156740456444,0.20615447878829415,0.21845658282502914,0.18684463025152492,0.21122181481735314
EOS-3-05602,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(Cl)nc(Cc5cccc(F)c5)n4)n23)cn1,YDCCQCJMLHKQBD-UHFFFAOYSA-N,3,1,0.346,96,140,460.86,3.126,5,0.399,0.79,0.992,0.16955657597148927,0.28767733534370504,0.34998457953533,0.4190682612569392,0.30657168802686585
EOS-3-05603,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)nc1,ICZINDFKSGTMEU-UHFFFAOYSA-N,3,1,0.552,19,73,432.875,3.257,5,0.406,0.82,1.0,0.6226697964498663,0.597251730518813,0.3166763758481256,0.3842951134260846,0.48022325406072236
EOS-3-05604,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c(F)c1,CCUCHIJGUFGVMX-UHFFFAOYSA-N,3,1,0.321,25,745,453.445,2.583,6,0.4,0.75,1.0,0.21156020834761155,0.34233431567404565,0.20466383387019396,0.25959495579466796,0.25453832842162977
EOS-3-05605,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1,OZOPKTADFMNGGN-UHFFFAOYSA-N,3,1,0.359,62,124,451.425,2.703,5,0.403,0.77,1.0,0.30595058597765745,0.2467531354944829,0.607694811870331,0.540410184360222,0.42520217942567334
EOS-3-05606,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,CESIREQGGRTSLG-UHFFFAOYSA-N,3,1,0.312,3,668,433.479,3.922,6,0.409,0.83,1.0,0.02064628880816942,0.020774792680419436,0.22928517579329724,0.2596035227194846,0.1325774450003427
EOS-3-05607,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncon5)c4)n23)cc1,XHXIITSTTCDUFY-UHFFFAOYSA-N,3,1,0.506,89,656,454.45,2.708,6,0.394,0.81,1.0,0.422375094236173,0.1095109999314646,0.11704132684531561,0.11758961003358234,0.1916292577616339
EOS-3-05608,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cs1,AIDUYRKCKXUONB-UHFFFAOYSA-N,3,1,0.33,52,582,453.531,4.177,6,0.429,0.83,1.0,0.06433760537317525,0.06211877184565828,0.14309334521280243,0.15992735247755466,0.10736926872729766
EOS-3-05609,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4ccc(F)cc4F)nc3)n12,YDIJPINBRMOKRC-UHFFFAOYSA-N,3,1,0.364,96,3,442.429,4.206,5,0.45,0.78,1.0,0.25760742923720104,0.347277431293263,0.8414861901171955,0.8073898293468577,0.5634402199986293
EOS-3-05610,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4c(-c5ccccc5)cnn4C)n23)cc1,XYUVYTOETFZPQO-UHFFFAOYSA-N,3,1,0.297,25,791,434.467,3.049,6,0.42,0.77,1.0,0.03323110136385443,0.036495099719004866,0.11704989377013228,0.18164450688780756,0.09210515043519979
EOS-3-05611,NC(=O)c1ccc(-c2nnc3cncc(COCc4ccc(-c5cncs5)nc4)n23)cc1,MYRWTDALPCLTKM-UHFFFAOYSA-N,3,1,0.489,14,357,443.492,3.126,5,0.41,0.79,1.0,0.34805702145157974,0.12910355698718387,0.335026728805428,0.22722911383729696,0.25985410527037217
EOS-3-05612,CCc1nc(-c2cc(C)nn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,FJFXYPCNCXNLKI-UHFFFAOYSA-N,3,1,0.337,52,124,452.522,3.484,5,0.438,0.77,1.0,0.10930539373586458,0.07341854567884312,0.14603180042491948,0.06454321156877527,0.09832473785210061
EOS-3-05613,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnn(C)c5)n4)n23)cc1,RHOKPMTVGJLMKY-UHFFFAOYSA-N,3,1,0.441,89,943,441.455,1.92,5,0.424,0.74,1.0,0.33855630182989516,0.1753221163731067,0.14025769309848538,0.0539716263450072,0.1770269344116236
EOS-3-05614,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)n(C)n1,RFTSZUISRYGSJA-UHFFFAOYSA-N,3,1,0.297,9,537,434.467,3.347,6,0.452,0.75,1.0,0.114993831814132,0.112569392091015,0.32751353574121034,0.29844595983825645,0.21338067987115344
EOS-3-05615,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(C(F)F)nc5)n4)n23)cc1,PDBFGVLIPJCSJA-UHFFFAOYSA-N,3,1,0.341,74,333,459.42,3.003,5,0.425,0.75,1.0,0.30334624083339046,0.16281440614077172,0.41996778836268933,0.2804211500239874,0.2916373963402097
EOS-3-05616,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(C(F)F)nc4-c4ccncn4)n23)cc1,DZQHIRWNVXUCOM-UHFFFAOYSA-N,3,1,0.319,74,333,460.408,2.398,5,0.419,0.73,1.0,0.2472585840586663,0.19221609211157564,0.17108148858885613,0.12213864711123296,0.18317370296758273
EOS-3-05617,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(C)ncc4-c4ccccn4)n23)cc1,PJYFCWZMOFRKPJ-UHFFFAOYSA-N,3,1,0.464,89,731,452.478,2.89,5,0.418,0.75,1.0,0.4453430196696594,0.21113186210677815,0.17775512302104038,0.08787094784456172,0.2305252381605099
EOS-3-05618,Cc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1C(=O)N(C)C,PARKLZQGNSGQSR-UHFFFAOYSA-N,3,1,0.56,90,636,455.881,3.006,4,0.44,0.71,1.0,0.46650332396682886,0.42760091837434033,0.21498697827427868,0.15726303885957096,0.3165885648687547
EOS-3-05619,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncc(F)c5)s4)n23)cc1,UQOIVQXJKLDSTO-UHFFFAOYSA-N,3,1,0.417,14,357,430.468,3.744,5,0.458,0.72,1.0,0.2576159961620177,0.1835720649715578,0.5563617983688575,0.510160372832568,0.3769275580837502
EOS-3-05620,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5CO)cc4)n23)nc1,YFXVHMKFGHPWQR-UHFFFAOYSA-N,3,1,0.282,0,782,457.494,1.81,5,0.468,0.74,1.0,0.050621958741690086,0.005431430333767391,0.015900212459735455,0.029101843602220547,0.025263861284353366
EOS-3-05621,Cc1noc(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c(F)cn2)n1,DEDXKDNNWGONIV-UHFFFAOYSA-N,3,1,0.33,74,155,434.366,2.589,5,0.455,0.68,1.0,0.32112260982797614,0.22115516414227948,0.3685148379137825,0.35225481461174696,0.31576185662394624
EOS-3-05622,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(C(C)(C)O)nc5)n34)cc2)nn1,WFBWYLMKVIRFRP-UHFFFAOYSA-N,3,1,0.292,82,336,425.456,2.636,5,0.462,0.76,1.0,0.18943184154615858,0.09951339867041327,0.15847097525872114,0.07349564800219313,0.13022796586937152
EOS-3-05623,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cn4)n23)c1,CKAWHXJHXGNRAQ-UHFFFAOYSA-N,3,1,0.297,10,356,438.39,2.024,6,0.433,0.7,0.91,0.21973305462271264,0.2876859022685217,0.1280326913851004,0.23021897059831403,0.2164176547186622
EOS-3-05624,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccnc4)n23)cc1,PUGDLBZFHQVIGQ-UHFFFAOYSA-N,3,1,0.3,42,615,432.451,3.106,6,0.418,0.79,1.0,0.12005688438078267,0.05056199026797341,0.22550716194914674,0.24761839490096635,0.1609361078747173
EOS-3-05625,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4noc(-c5ccsc5)n4)n23)cc1,VLUVFSMTSXLUSA-UHFFFAOYSA-N,3,1,0.441,89,943,459.491,3.374,6,0.393,0.88,1.0,0.40866801452950446,0.1922246590363923,0.042431978616955655,0.05398019326982387,0.1743262113631691
EOS-3-05626,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c2)cn1,IBSMMSGBYMXKQP-UHFFFAOYSA-N,3,1,0.371,61,648,447.861,3.75,5,0.452,0.76,1.0,0.23344013432938113,0.3277876773353437,0.803149201562607,0.7944709067233225,0.5397119799876636
EOS-3-05627,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ccc(Cl)nc5)n4)n23)cc1,PZZIBQKMFWCWJP-UHFFFAOYSA-N,3,1,0.414,62,319,455.909,3.852,5,0.404,0.79,1.0,0.18364060037009114,0.2517219518881502,0.5014649441436502,0.4506716469056268,0.3468747858268796
EOS-3-05628,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cc1,PCHZPIDZGOASLV-UHFFFAOYSA-N,3,1,0.333,25,27,450.441,3.245,6,0.402,0.79,1.0,0.20877595778219452,0.28246007813035434,0.24363477486121582,0.3585943389760812,0.2733662874374615
EOS-3-05629,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncc(F)c5)cn4)n23)cc1,CSTMRPZUGCQTCS-UHFFFAOYSA-N,3,1,0.377,52,916,466.48,3.265,6,0.409,0.77,1.0,0.20878452470701117,0.21594647385374546,0.2330203550133644,0.2922777739702556,0.23750728188609416
EOS-3-05630,O=C(c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccnc4)n23)cn1)N1CCC1,OBVXSJREOPZXCU-UHFFFAOYSA-N,3,1,0.348,82,376,434.463,3.156,6,0.428,0.76,1.0,0.055590775135357415,0.033488109108354466,0.007170516071550956,0.030909464738537454,0.03178971626345008
EOS-3-05631,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(C)nn5)n4)n23)cc1,JNAGJSDIDGUAKL-UHFFFAOYSA-N,3,1,0.464,89,398,453.466,2.285,5,0.411,0.74,1.0,0.4086765814543212,0.17533068329792337,0.1227383318483997,0.05262661914879035,0.18984305393735862
EOS-3-05632,CC1(NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c(F)c2)CC1,DKQZHFJZPINLBS-UHFFFAOYSA-N,3,1,0.353,0,688,431.431,2.374,5,0.499,0.7,0.998,0.27611198684120347,0.2618908916455349,0.09314817353162909,0.13294153930505107,0.1910231478308546
EOS-3-05633,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)c1,BGJKTKUEUSNDJZ-UHFFFAOYSA-N,3,1,0.333,10,158,436.414,3.03,6,0.414,0.77,0.991,0.00907237338085121,0.16282297306558838,0.19067404564457544,0.3232729079569598,0.1714605750119937
EOS-3-05634,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)nc1,FIUQMDDTSRXUQI-UHFFFAOYSA-N,3,1,0.442,68,806,416.323,1.673,4,0.519,0.77,1.0,0.6884209444177918,0.40008395586320333,0.5393992872318553,0.28346240833390446,0.4778416489616887
EOS-3-05635,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnnc5)nc4)n23)cc1,DXWXBVVZJPMSTG-UHFFFAOYSA-N,3,1,0.517,89,398,464.489,3.115,6,0.39,0.83,1.0,0.36633883901034886,0.08387876087999452,0.2292937427181139,0.21579226920704545,0.22382590295387567
EOS-3-05636,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1,WHVXGWUTGVPSPN-UHFFFAOYSA-N,3,1,0.323,9,339,431.463,3.711,6,0.419,0.81,1.0,0.12849530532520045,0.05834932492632445,0.37648207799328354,0.3782468645055171,0.2353933931875814
EOS-3-05637,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cc(F)c1F,UIMYKLZMZYZPBL-UHFFFAOYSA-N,3,1,0.341,50,917,434.37,1.421,5,0.447,0.68,1.0,0.19481187033102598,0.2517305188129669,0.19421218559385922,0.22403365088067986,0.21619705640463296
EOS-3-05638,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-n5cccc5Cl)n4)n23)cc1C,ITGYPFUQOYFRKQ-UHFFFAOYSA-N,3,1,0.33,62,139,443.898,3.965,5,0.454,0.79,1.0,0.06279555890617504,0.14713693372626963,0.4880320060311151,0.45396991296004385,0.2879836029059009
EOS-3-05639,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)cc2)n1,FRBHYUDJOLMUKY-UHFFFAOYSA-N,3,1,0.26,98,213,433.439,2.501,6,0.412,0.76,1.0,0.0702573504214927,0.04693818107052292,0.0955126447810294,0.10596429305736413,0.07966811733260229
EOS-3-05640,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cc1,NETXMWJDNCYHEP-UHFFFAOYSA-N,3,1,0.3,25,581,433.439,2.501,6,0.412,0.76,1.0,0.06618806113357549,0.027551230210403673,0.0642433692001919,0.12447741758618326,0.07061501953258859
EOS-3-05641,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5)cn4)n23)cn1,WRTWGGWFWAPUOE-UHFFFAOYSA-N,3,1,0.451,82,700,438.451,2.582,5,0.43,0.75,1.0,0.5062881228154342,0.26709958193406896,0.14933006647933658,0.09751730518812966,0.25505876910424236
EOS-3-05642,Cc1ccc(-c2nnc3cncc(-c4cc(Cl)cnc4OCC(F)(F)F)n23)cn1,RSEFPUZQQLCIHY-UHFFFAOYSA-N,3,1,0.4,68,861,420.782,4.151,4,0.493,0.85,1.0,0.6794856418340073,0.7961157562881228,0.94981495442396,0.8988331848399699,0.831062384346515
EOS-3-05643,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)c(F)c1,JTUMMCRRZBYVPI-UHFFFAOYSA-N,3,1,0.305,25,581,451.429,2.64,6,0.398,0.76,0.997,0.15076930984853676,0.22643238982934685,0.1338839010348845,0.247626961825783,0.1896781406346378
EOS-3-05644,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)n4)n23)nc1,UYKFQFPCVLVWCB-UHFFFAOYSA-N,3,1,0.296,52,776,452.453,3.342,6,0.407,0.78,0.998,0.13142519361250085,0.15519840997875403,0.20467240079501062,0.28042971694880403,0.1929314303337674
EOS-3-05645,Cc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)n2)n1,BWZWQBOQLCBBEU-UHFFFAOYSA-N,3,1,0.301,33,776,449.478,2.906,6,0.434,0.71,0.996,0.07828455897471044,0.03037831539990405,0.043914056610239185,0.05834075800150778,0.05272942224659037
EOS-3-05646,O=C(O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)nc1,RMHZMVNEPSVYJT-UHFFFAOYSA-N,3,1,0.683,90,308,413.796,3.299,4,0.517,0.88,1.0,0.6086286066753478,0.17951134260845727,0.7037900075388939,0.6451322733191693,0.5342655575354671
EOS-3-05647,NC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1F,WBMGUWPVLQXBMP-UHFFFAOYSA-N,3,1,0.631,90,133,430.802,2.838,4,0.471,0.69,1.0,0.7575388938386677,0.47627818518264686,0.7496830237817833,0.732386402576931,0.6789716263450072
EOS-3-05648,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cnc(-c4ccnc(F)c4)nc3)n12,HCSLNZNDGKHCAQ-UHFFFAOYSA-N,3,1,0.36,82,478,426.415,2.857,5,0.438,0.77,1.0,0.2058717702693441,0.21595504077856212,0.4388235898841752,0.34899081625659656,0.30241030429716953
EOS-3-05649,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ncn2)nn1,IKIXZFHDSIUYFA-UHFFFAOYSA-N,3,1,0.479,89,463,439.439,2.025,5,0.419,0.72,1.0,0.4360821739428415,0.17951990953327393,0.15524124460283736,0.07738503186896031,0.21205708998697828
EOS-3-05650,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)nc4)n23)cc1,KMSAPDCUGHQVOH-UHFFFAOYSA-N,3,1,0.478,89,398,464.489,3.115,6,0.39,0.82,1.0,0.43148173531629086,0.15119765608937016,0.11103591254883147,0.11289493523404838,0.20165255979713523
EOS-3-05651,Cn1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5F)n34)n2)cn1,HICLWTLUYPAAFR-UHFFFAOYSA-N,3,1,0.283,50,974,457.433,1.47,6,0.388,0.75,0.79,0.13143376053731753,0.15896785689808787,0.012310670961551641,0.016671235693235555,0.07984588102254814
EOS-3-05652,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)c4)n23)cc1,XOADYEFETKMYKD-UHFFFAOYSA-N,3,1,0.5,89,656,456.441,2.721,5,0.414,0.74,1.0,0.7694383524090193,0.3855116167500514,0.40207148242067026,0.2658916455349188,0.4557282742786649
EOS-3-05653,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)nc2)nc1,VHYFOSCLEBAXHM-UHFFFAOYSA-N,3,1,0.355,33,62,425.412,2.238,5,0.447,0.76,1.0,0.5062966897402509,0.19684223151257624,0.10576725378658076,0.05014221095195669,0.21476209649784117
EOS-3-05654,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(C)n5)c4)n23)cc1C#N,DSVUZHPQPVFIBM-UHFFFAOYSA-N,3,1,0.308,74,246,435.451,2.579,5,0.46,0.68,0.966,0.016816873415118908,0.04314303337673909,0.3499931464601467,0.23902576930984853,0.16224470564046328
EOS-3-05655,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5cncnc5)nc(C)n4C)n23)cc1,KTVFLLGVMSIPGN-UHFFFAOYSA-N,3,1,0.326,74,333,425.456,2.317,5,0.47,0.74,1.0,0.14755671304228635,0.07342711260365979,0.09315674045644576,0.048822904530189844,0.09074086765814544
EOS-3-05656,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ncccn5)nc4)n23)cc1,HYYDGPWXDSDCHT-UHFFFAOYSA-N,3,1,0.556,89,770,452.478,2.624,5,0.4,0.76,1.0,0.682304160098691,0.2566307998081009,0.2046809677198273,0.1059728599821808,0.31239719690219997
EOS-3-05657,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(F)c1,FAEGGDATDONMKJ-UHFFFAOYSA-N,3,1,0.325,25,791,449.453,3.85,6,0.403,0.8,1.0,0.23627578644369818,0.30808375025700774,0.4809985607566308,0.5502707148242068,0.39390720307038585
EOS-3-05658,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cc1,IRXWXIYCIBQSIE-UHFFFAOYSA-N,3,1,0.35,3,158,435.426,3.635,6,0.417,0.79,1.0,0.029470221369337263,0.2362415187444315,0.41248886299773835,0.5470409841683229,0.30631039681995753
EOS-3-05659,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)n2)c1,KDMFSDXNTQRTOS-UHFFFAOYSA-N,3,1,0.291,64,144,435.426,3.635,6,0.417,0.79,0.597,0.015137756151052019,0.11257795901583167,0.2544033993557673,0.3938643684463025,0.19399587074223837
EOS-3-05660,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c1,ANCSWSQUJWCVBD-UHFFFAOYSA-N,3,1,0.31,64,144,435.426,3.635,6,0.417,0.79,0.997,0.004463367829483929,0.08037488862997738,0.32388972654375986,0.4570454389692276,0.2164433554931122
EOS-3-05661,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)c(F)c1,JGNRLWVCNVPGSH-UHFFFAOYSA-N,3,1,0.35,61,269,456.485,3.544,5,0.434,0.77,1.0,0.18635631553697485,0.2061630457131108,0.20827907614282776,0.1599359194023713,0.19018358919882117
EOS-3-05662,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5cc(CF)ccc5C)n4)n23)cc1,PIVVJTADPLIQEY-UHFFFAOYSA-N,3,1,0.319,74,124,442.458,3.177,5,0.449,0.73,0.972,0.12554828318826675,0.08709992461106161,0.327522102666027,0.2302275375231307,0.19259946199712152
EOS-3-05663,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)nc1,LVQPJWGIZHIOHS-UHFFFAOYSA-N,3,1,0.371,62,366,450.477,4.552,6,0.425,0.88,1.0,0.25762456308683435,0.32779624426016035,0.5259492152696867,0.645140840243986,0.43912771571516684
EOS-3-05664,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cn4)n23)nc1,ZFLGPXOLKYEUQD-UHFFFAOYSA-N,3,1,0.283,70,654,447.466,2.809,6,0.401,0.78,1.0,0.04323726954972243,0.054280035638407234,0.07700808717702694,0.10598142690699747,0.07012670481803851
EOS-3-05665,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cnc(OC)c(F)c4)n23)cc1F,SJHYTIWDAAFLDB-UHFFFAOYSA-N,3,1,0.461,90,133,412.356,2.625,4,0.537,0.87,1.0,0.7837279830032212,0.5493454869440065,0.5918203001850456,0.39387293537111917,0.5796916763758482
EOS-3-05666,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)c(OC)c1,KHVZNIJFLVBYPA-UHFFFAOYSA-N,3,1,0.345,82,514,443.492,3.345,5,0.444,0.77,1.0,0.29009320814200534,0.13999211842916867,0.3203944212185594,0.17042183537797273,0.23022539579192652
EOS-3-05667,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)cc(F)c5F)nn4)n23)cc1,HQSFVSAKCPQNCL-UHFFFAOYSA-N,3,1,0.346,22,997,450.384,2.816,5,0.423,0.76,1.0,0.09936776094852992,0.2416472483037489,0.7037985744637105,0.6680316633541225,0.4282113117675279
EOS-3-05668,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnn5)cc4F)n23)c(C)c1,CIDWLFFVLCREJY-UHFFFAOYSA-N,3,1,0.346,85,60,455.457,2.436,5,0.429,0.7,1.0,0.23628435336851483,0.17068741004728943,0.3238982934685765,0.23308032348708108,0.24098759509286546
EOS-3-05669,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)n1,GCMPUOMWDBKVOR-UHFFFAOYSA-N,3,1,0.324,25,791,434.467,3.049,6,0.42,0.74,1.0,0.07615139469536016,0.06212733877047495,0.2184651497498458,0.23599307792474813,0.14818424028510727
EOS-3-05670,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)n4C)n23)cc1,JXILFQQVIUCCOH-UHFFFAOYSA-N,3,1,0.406,67,642,434.467,3.049,6,0.42,0.74,1.0,0.09937632787334659,0.0542886025632239,0.0770166541018436,0.11759817695839901,0.08706994037420328
EOS-3-05671,Cc1ccc(-c2cc(-c3nnc4cncc(CNc5ccc(Cl)cc5)n34)nc(C)n2)cn1,XOLNRQQAHCHZJX-UHFFFAOYSA-N,3,1,0.333,44,500,442.914,4.526,5,0.427,0.83,1.0,0.06619662805839216,0.06614522650949216,0.4090877938455212,0.3968285244328696,0.23456454321156878
EOS-3-05672,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)cn1,PUNKVIDTZOOARA-UHFFFAOYSA-N,3,1,0.548,89,656,438.451,2.63,5,0.428,0.72,1.0,0.6086371736001644,0.15897642382290453,0.3800630525666507,0.2184394489753958,0.3415290247412789
EOS-3-05673,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)cc2)n1,ONWQCXRTMTXXTN-UHFFFAOYSA-N,3,1,0.329,64,27,449.453,3.85,6,0.403,0.83,1.0,0.20879309163182783,0.23134980467411417,0.4349684737166747,0.49689020629154956,0.34300039407854155
EOS-3-05674,Cn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)n1,VQUFERODUWXJGT-UHFFFAOYSA-N,3,1,0.62,51,946,451.397,2.557,5,0.368,0.82,1.0,0.5448392844904393,0.6299602494688507,0.5014735110684668,0.4029967103008704,0.5198174388321568
EOS-3-05675,NC(=O)c1ccc(-c2nnc3cncc(Cc4cccnc4-c4cnc(CF)cn4)n23)cc1,VCRYVLWPNULJCF-UHFFFAOYSA-N,3,1,0.389,14,357,440.442,2.803,5,0.43,0.71,1.0,0.254977383318484,0.1186690425604825,0.25441196628058393,0.19779316016722637,0.2064628880816942
EOS-3-05676,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nccn5C)nc(C)n4)n23)cc1,GLFKQBMAYLITGZ-UHFFFAOYSA-N,3,1,0.447,89,926,455.482,2.229,5,0.413,0.76,1.0,0.4200363237612227,0.1257196216846001,0.08139435268316085,0.02618908916455349,0.16333484682338428
EOS-3-05677,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)n1,OLFIGHHOFORGMF-UHFFFAOYSA-N,3,1,0.321,98,882,436.443,1.839,6,0.406,0.76,1.0,0.08967000205606196,0.05057055719279008,0.047297991912822974,0.0447364813926393,0.05806875813857858
EOS-3-05678,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nccc(F)n5)s4)n23)cc1F,WWJGZTYUEIIEHU-UHFFFAOYSA-N,3,1,0.341,74,768,449.446,3.615,5,0.421,0.76,1.0,0.2711860050716195,0.33237954903707767,0.4738623123843465,0.4351569460626414,0.3781462031389213
EOS-3-05679,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccn5C)nc4)n23)nc1,LVHYYPMENSSYRO-UHFFFAOYSA-N,3,1,0.422,33,53,441.455,1.92,5,0.424,0.75,0.999,0.3915170310465355,0.09650640805976286,0.10848296895346446,0.0422092385717223,0.1596789116578713
EOS-3-05680,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,VVVLPWCBXBXXCQ-UHFFFAOYSA-N,3,1,0.319,82,246,422.452,2.931,6,0.467,0.76,0.999,0.016825440339935577,0.036503666643821535,0.0839130285792612,0.1397436776094853,0.0692464532931259
EOS-3-05681,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccccn5)s4)n23)cc1,MILXLNUARHDPTQ-UHFFFAOYSA-N,3,1,0.38,52,916,452.543,4.398,6,0.413,0.87,1.0,0.12285826879583304,0.08710849153587828,0.17776368994585703,0.23023610444794737,0.15449163868137894
EOS-3-05682,NC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(F)c(F)c5)n4)n23)cc1,CLXBCUBGHIDSOX-UHFFFAOYSA-N,3,1,0.462,96,316,430.378,2.687,5,0.465,0.69,0.998,0.2604345144267014,0.23625008566924816,0.5729816325131931,0.5825080529093277,0.41304357137961756
EOS-3-05683,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cc2F)cn1,QYGNMKWBQUYDGG-UHFFFAOYSA-N,3,1,0.305,33,432,455.457,2.68,6,0.433,0.71,0.996,0.08052052635186073,0.14714550065108628,0.16479336577342196,0.20972688643684462,0.1505465698033034
EOS-3-05684,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(-c5cccc(F)c5)cn4)n23)cc1,PLZNDGDRYJWRGZ-UHFFFAOYSA-N,3,1,0.449,62,319,453.481,3.964,5,0.404,0.84,1.0,0.18944040847097526,0.12208724556233294,0.5886676718525118,0.47273147830854634,0.3432317010485916
EOS-3-05685,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)cc1,MALQEPHHETUQAN-UHFFFAOYSA-N,3,1,0.418,89,943,465.477,2.51,6,0.385,0.82,1.0,0.4246881639366733,0.1589849907477212,0.08140291960797752,0.08087177026934411,0.18648696114042904
EOS-3-05686,N#Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,GUADVASNUGSFKN-UHFFFAOYSA-N,3,1,0.481,13,412,426.827,3.961,5,0.424,0.82,1.0,0.7866407374408882,0.9391576999520252,0.7113374683023782,0.7162805839215955,0.7883541224042219
EOS-3-05687,Cc1c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(-c2ccc(F)c(F)c2)nn1C,YWNTVGYJCCOSSX-UHFFFAOYSA-N,3,1,0.457,61,124,445.433,3.544,5,0.456,0.72,1.0,0.13677095469810158,0.2159636077033788,0.5823624151874444,0.5440853951065725,0.36979559317387434
EOS-3-05688,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(C(F)F)nn4CCO)n23)cc1,ZRRMLADZCIOMAN-UHFFFAOYSA-N,3,1,0.324,63,792,440.414,1.872,5,0.45,0.8,0.728,0.18944897539579192,0.14342745528065245,0.022967925433486396,0.043425741895689124,0.09981752450140496
EOS-3-05689,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)ccc4F)n23)nc1,NRXXSUOBQNDJCH-UHFFFAOYSA-N,3,1,0.302,74,523,470.443,3.481,6,0.419,0.83,1.0,0.2874374614488383,0.2931344664519224,0.32390686039339317,0.4254249194709067,0.33247592694126515
EOS-3-05690,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5C)cn4)n23)nc1F,QNGXBQZQNUOTKQ-UHFFFAOYSA-N,3,1,0.276,63,759,460.473,2.372,5,0.465,0.69,0.883,0.05739839627167432,0.07343567952847646,0.010117538208484681,0.014375299842368584,0.03883172846275101
EOS-3-05691,CCc1nc(-c2ccnnc2)cc(-c2cncc3nnc(-c4ccc(C(=O)NC)cn4)n23)n1,SAALNHWHBDUGKA-UHFFFAOYSA-N,3,1,0.267,33,432,438.455,2.022,5,0.437,0.7,0.452,0.1420653142348023,0.01571174011376876,0.047306558837639644,0.021999862929202932,0.05677086902885341
EOS-3-05692,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c1,QRAQUGGPRGRXQM-UHFFFAOYSA-N,3,1,0.264,25,213,433.439,2.501,6,0.412,0.75,1.0,0.05389452402165719,0.04694674799533959,0.0887533411006785,0.11290350215886505,0.07562452881913509
EOS-3-05693,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nc1,SMWBNVRQTHGORU-UHFFFAOYSA-N,3,1,0.293,98,373,433.439,2.501,6,0.412,0.75,1.0,0.14207388115961894,0.08711705846069495,0.12804125830991708,0.16256596532108833,0.12994954081282983
EOS-3-05694,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)c1,SRYKAZXCGUZKIU-UHFFFAOYSA-N,3,1,0.279,94,213,433.439,2.501,6,0.412,0.75,1.0,0.02947878829415393,0.033496676033171136,0.1584795421835378,0.19780172709204305,0.10481418340072648
EOS-3-05695,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)cc(C(F)(F)F)c4)n23)cc1,LPHUTXYCJBGGFC-UHFFFAOYSA-N,3,1,0.461,66,225,415.35,3.639,4,0.516,0.82,1.0,0.48883729696388184,0.5586320334452745,0.9881690768281818,0.966965937906929,0.7506510862860668
EOS-3-05696,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5nnnn5C)c4)n23)cc1,VJUNUWQPMVRHAK-UHFFFAOYSA-N,3,1,0.309,98,112,437.431,1.234,6,0.395,0.75,1.0,0.05559934206017408,0.027559797135220342,0.022976492358303062,0.02619765608937016,0.03308332191076691
EOS-3-05697,COc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)cn1,GXVVTGXVRSSTPV-UHFFFAOYSA-N,3,1,0.536,1,637,452.474,3.54,5,0.401,0.81,1.0,0.6311167843191008,0.1706959769721061,0.6106418340072648,0.40612363785895417,0.45464455828935646
EOS-3-05698,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)cn4)n23)cc1,FHSWTRLLTWEREL-UHFFFAOYSA-N,3,1,0.409,62,302,448.486,4.538,6,0.41,0.9,1.0,0.5295044890686039,0.21114042903159483,0.37259269412651636,0.39683709135768624,0.37751867589610033
EOS-3-05699,Cc1cc(-c2cnc(F)cn2)ncc1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,BLSFVNOJYBBUPH-UHFFFAOYSA-N,3,1,0.386,82,514,427.403,2.252,5,0.461,0.7,1.0,0.19482043725584264,0.20168254403399355,0.21499554519909533,0.17586183263655678,0.19684008978137207
EOS-3-05700,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(Oc5cccc(F)c5F)n4)n23)cn1,UMXYYIDZRBCFNA-UHFFFAOYSA-N,3,1,0.321,29,704,461.392,2.468,5,0.419,0.76,1.0,0.6642450825851552,0.567670139126859,0.2800099376327873,0.21844801590021246,0.43259329381125355
EOS-3-05701,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)cc4OC(F)(F)F)n23)nc1OC,CAOFRELJBQNYJS-UHFFFAOYSA-N,3,1,0.343,66,999,462.363,3.259,4,0.454,0.74,0.996,0.6427249674456857,0.6836748680693578,0.882299019943801,0.7241707216777465,0.7332173942841478
EOS-3-05702,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(C)nc5C)nc4)n23)cc1,XSMOLBLOKPPDEA-UHFFFAOYSA-N,3,1,0.552,89,398,466.505,3.199,5,0.405,0.81,1.0,0.4594099102186279,0.11867760948529915,0.1942207525186759,0.08088033719416078,0.21329715235419092
EOS-3-05703,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cc1,FDPNUFYWAORMSK-UHFFFAOYSA-N,3,1,0.295,25,213,433.439,2.501,6,0.412,0.77,1.0,0.1314423274621342,0.08388732780481119,0.0910664108011788,0.12862380919745048,0.10875496881639367
EOS-3-05704,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C#Cc5ccccc5)cn4)n23)nc1,PJZLPHHHDHJNAS-UHFFFAOYSA-N,3,1,0.323,33,776,432.447,2.403,5,0.436,0.74,1.0,0.1392639298197519,0.08389589472962786,0.33503529573024465,0.25961208964430127,0.20445180248098144
EOS-3-05705,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cn1,IXLMEFPTPHVVQJ-UHFFFAOYSA-N,3,1,0.341,70,179,432.451,3.106,6,0.418,0.77,1.0,0.07221060927969296,0.027568364060037008,0.1746024946885066,0.19500890960180933,0.11734759440751148
EOS-3-05706,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)c1,ZWWSXTDXUQLKGI-UHFFFAOYSA-N,3,1,0.303,39,972,437.402,2.425,6,0.409,0.74,1.0,0.004806044822150641,0.08038345555479405,0.19422931944349256,0.2893650195325886,0.14219595983825645
EOS-3-05707,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)s4)n23)cc1,CDQMJQFSLRTXFU-UHFFFAOYSA-N,3,1,0.484,89,731,443.492,3.248,5,0.429,0.78,1.0,0.5744123089575766,0.32780481118497706,0.280018504557604,0.159944486327188,0.3355450277568364
EOS-3-05708,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccsc5)cn4)n23)cc1,IWRZZWRXRKQXIW-UHFFFAOYSA-N,3,1,0.473,89,408,443.492,3.248,5,0.429,0.75,1.0,0.49874066205194983,0.25663936673291754,0.27644609690905353,0.15995305325200465,0.29794479473648133
EOS-3-05709,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(OC)c(F)c5)c4)n23)cc1,XMHPKPOIEBKWTL-UHFFFAOYSA-N,3,1,0.355,62,3,454.465,4.028,5,0.431,0.8,1.0,0.5113768761565348,0.4368531971763416,0.7882427523816051,0.6451494071688026,0.5954055582208211
EOS-3-05710,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)nc2)n1,WFRXIZQYXFQOMW-UHFFFAOYSA-N,3,1,0.267,98,866,437.431,1.234,6,0.395,0.77,1.0,0.04914844767322322,0.06213590569529162,0.019181344664519224,0.021220272770886162,0.03792149270098006
EOS-3-05711,Cc1ccc(-c2nnc3cncc(CCc4cc(F)c(F)c(Br)c4)n23)cn1,XMGCDRWVCVCKKS-UHFFFAOYSA-N,3,1,0.447,90,225,430.256,4.321,4,0.453,0.83,1.0,0.547349393461723,0.6445325885820026,0.8834298540196012,0.8725155918031663,0.7369568569666233
EOS-3-05712,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4Cl)n23)cc1,SINZKVQMFLKSMV-UHFFFAOYSA-N,3,1,0.375,62,648,459.872,4.067,5,0.435,0.8,1.0,0.3337845247070112,0.3372883969570283,0.6904598725241587,0.6623860598999384,0.5059797135220342
EOS-3-05713,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)cc1,AMNOYEPQKXLQQY-UHFFFAOYSA-N,3,1,0.505,89,675,442.414,2.46,5,0.396,0.77,1.0,0.6060242615310808,0.32314440408470974,0.45992392570762797,0.33630320060311153,0.4313489479816325
EOS-3-05714,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)c(F)c1,HQCQJDZJWHBYNS-UHFFFAOYSA-N,3,1,0.336,74,246,448.849,3.191,5,0.423,0.74,1.0,0.025940648344870126,0.20169111095881023,0.532597148927421,0.5203121787403193,0.32013527174285517
EOS-3-05715,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)nn1,JMEJQADWIOSFJF-UHFFFAOYSA-N,3,1,0.369,89,310,465.477,3.031,6,0.402,0.8,1.0,0.3870536632170516,0.14343602220546914,0.08631176752792817,0.07919265300527722,0.17399852648893152
EOS-3-05716,Cc1nn(C)cc1-c1cncc(-c2cncc3nnc(-c4ccc(C(=O)NCCF)cc4)n23)c1,RFKZGDUTIZXUCJ-UHFFFAOYSA-N,3,1,0.327,74,859,456.485,3.262,5,0.421,0.74,1.0,0.05063052566650675,0.0335052429579878,0.3091117812350079,0.20390137756151053,0.14928723185525322
EOS-3-05717,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)c(Cl)c1,MFJNUOLHQCNEEV-UHFFFAOYSA-N,3,1,0.463,68,12,471.855,3.644,5,0.438,0.78,1.0,0.5113854430813515,0.5122935371119183,0.48439962990884794,0.5203207456651361,0.5070998389418134
EOS-3-05718,Cc1ccc(Oc2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(Cl)c5)n34)nc2)cn1,RTACMSUOUSXRBS-UHFFFAOYSA-N,3,1,0.346,96,586,457.881,4.101,5,0.421,0.82,1.0,0.5295130559934206,0.5168597080392022,0.5949300938934959,0.5267716400520869,0.5420186244945514
EOS-3-05719,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ncccc5F)c4)n23)cc1F,LRDRIDPXDRDTGF-UHFFFAOYSA-N,3,1,0.345,96,648,460.419,4.297,5,0.432,0.83,1.0,0.3870622301418683,0.404710095264204,0.8901977246247686,0.8753169762182167,0.6393217565622644
EOS-3-05720,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1,NDPDBQCMTNWLGX-UHFFFAOYSA-N,3,1,0.343,9,867,431.463,3.711,6,0.419,0.79,1.0,0.0805290932766774,0.03956205880337194,0.35000171338496333,0.33935302583784527,0.20236147282571448
EOS-3-05721,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)cc1=O,RSFHBNOFMUZZRQ-UHFFFAOYSA-N,3,1,0.571,43,709,428.427,3.27,5,0.427,0.8,1.0,0.6455520526351861,0.4848022753752313,0.679699814954424,0.6536477965869372,0.6159254848879446
EOS-3-05722,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,MZNNYKOYODRVQH-UHFFFAOYSA-N,3,1,0.357,93,651,431.463,3.711,6,0.419,0.82,1.0,0.1255568501130834,0.10951956685628127,0.215004112123912,0.32328147488177644,0.19334050099376326
EOS-3-05723,Cc1noc(-c2csc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c2)n1,XESVWCAROFYQOZ-UHFFFAOYSA-N,3,1,0.308,82,974,444.48,3.165,6,0.438,0.78,0.978,0.16146083201973818,0.12911212391200055,0.01744225892673566,0.0220084298540196,0.0825059111781235
EOS-3-05724,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cnc4-c4ccc(C)nc4)n23)cc1,HOLSWFMRPXUADC-UHFFFAOYSA-N,3,1,0.346,62,139,439.454,3.722,5,0.458,0.74,1.0,0.2983517236652731,0.23135837159893086,0.5563703652936742,0.4378555273798917,0.38098399698444246
EOS-3-05725,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)nn1)N1CCOCC1,NLBOPGPWMLWFRP-UHFFFAOYSA-N,3,1,0.424,52,229,470.518,2.844,6,0.394,0.84,1.0,0.021571516688369544,0.0041121239120005485,0.003169762182167089,0.010597285998218079,0.009862672195188816
EOS-3-05726,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cc4F)n23)cc1,QIHHALVTQFRGHP-UHFFFAOYSA-N,3,1,0.352,62,341,439.454,3.88,6,0.433,0.85,0.999,0.2631759303680351,0.27731992324035365,0.47728908231101363,0.5502792817490234,0.39201605441710646
EOS-3-05727,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(C)nc4)n23)cc1,MXRMZYKVNYZYQV-UHFFFAOYSA-N,3,1,0.333,74,333,423.44,2.373,5,0.467,0.74,1.0,0.15607223631005415,0.03351380988280447,0.16480193269823865,0.10598999383181414,0.11509449318072786
EOS-3-05728,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)o4)n23)cc1,MNVNVHZGGLQRAO-UHFFFAOYSA-N,3,1,0.511,89,398,428.412,2.175,5,0.432,0.73,1.0,0.5394763895552053,0.18358063189637447,0.14026626002330203,0.06455177849359194,0.2319687649921184
EOS-3-05729,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(F)c5)cnc4OC)n23)cn1,CJXLRHRHCHOWDW-UHFFFAOYSA-N,3,1,0.346,82,204,455.453,3.423,5,0.433,0.78,1.0,0.49621341923103285,0.4187512850387225,0.4458399013090261,0.3522633815365636,0.4282669967788363
EOS-3-05730,CONC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)cn5C)nc4)n23)cc1,LREWAORPJVXDMK-UHFFFAOYSA-N,3,1,0.318,74,333,440.467,2.853,5,0.418,0.78,1.0,0.1721266534164896,0.06214447262010828,0.23640429031594817,0.11989411280926598,0.147642382290453
EOS-3-05731,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cccnc5)n4)n23)cn1,XUIRZEOECSGQER-UHFFFAOYSA-N,3,1,0.447,85,290,456.897,3.247,5,0.432,0.76,0.999,0.19482900418065932,0.2517390857377836,0.2544205332054006,0.25364094304708384,0.23865739154273183
EOS-3-05732,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)n5C)n34)cc2)n1,ACYFNWYGBUFWKF-UHFFFAOYSA-N,3,1,0.382,8,890,435.455,2.444,6,0.414,0.74,1.0,0.08262798985676102,0.07689671715441025,0.03280275512302104,0.05141868274964019,0.060936536220958126
EOS-3-05733,O=C(O)c1ccc(-c2nnc3cncc(Cc4ccc(OCc5ccccc5)nc4)n23)cc1,HNTINXFXJGEPSV-UHFFFAOYSA-N,3,1,0.414,79,347,437.459,4.054,5,0.41,0.84,1.0,0.3163765334795422,0.12209581248714961,0.6196456719895826,0.44127373038174217,0.3748479370845042
EOS-3-05734,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)s4)n23)cc1,XSXSXNFTDIYUAK-UHFFFAOYSA-N,3,1,0.533,89,731,447.455,3.127,5,0.424,0.77,0.999,0.7188763621410459,0.44540298814337603,0.3127784250565417,0.2360016448495648,0.4282648550476321
EOS-3-05735,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(C)nc4-c4nccc(C)n4)n23)cc1Cl,AGXUMLPFIQRSHQ-UHFFFAOYSA-N,3,1,0.315,74,413,459.901,2.97,5,0.439,0.71,1.0,0.13927249674456857,0.17533925022274005,0.1617007059146049,0.14685422520731958,0.15579166952230827
EOS-3-05736,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cn1,PWEYJUXJVUXHFG-UHFFFAOYSA-N,3,1,0.345,82,155,427.403,2.204,5,0.463,0.69,0.997,0.2442258926735659,0.2016996778836269,0.12528270851895004,0.09963333561784662,0.16771040367349735
EOS-3-05737,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)nc1,JUGDPUOHXHOBRG-UHFFFAOYSA-N,3,1,0.374,33,855,466.465,1.904,6,0.377,0.82,1.0,0.284584675484888,0.11868617641011582,0.0395192241792886,0.040907065999588786,0.12092428551847029
EOS-3-05738,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnn5)ncn4)n23)cn1,VDJGPCLGNVHKFN-UHFFFAOYSA-N,3,1,0.316,85,60,451.454,1.311,6,0.4,0.74,1.0,0.10931396066068125,0.027576930984853677,0.013946953601535193,0.01837605373175245,0.04230347474470564
EOS-3-05739,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C5CC5)cn4)n23)nc1,SIVHQJVYLUSULO-UHFFFAOYSA-N,3,1,0.424,63,108,416.445,2.182,5,0.487,0.82,1.0,0.21694023713247892,0.06615379343430883,0.015266260023302036,0.011565348502501542,0.07748140977314782
EOS-3-05740,CNC(=O)c1ccc(-c2nnc3cncc(COc4cccc(-c5nncn5C)n4)n23)cc1,AYJGTHULLBOSJT-UHFFFAOYSA-N,3,1,0.382,89,740,441.455,1.92,5,0.424,0.72,1.0,0.3289356452607772,0.1291206908368172,0.08876190802549516,0.03621239120005483,0.1457576588307861
EOS-3-05741,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nn1CC(F)F,GPVHAVAZNWJIHF-UHFFFAOYSA-N,3,1,0.443,63,306,471.443,3.172,5,0.424,0.83,1.0,0.3456925502021794,0.35709512713316427,0.2838136522513878,0.317284627510109,0.32597148927421016
EOS-3-05742,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(F)c(Cl)c5)n4)n23)cc1,IJVNOHQOSXPJRH-UHFFFAOYSA-N,3,1,0.406,62,3,458.884,4.672,5,0.423,0.89,1.0,0.24423445959838255,0.38552018367486807,0.8205657597148928,0.805368035090124,0.5639221095195668
EOS-3-05743,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cc1,KVLWSUNLIFCXQD-UHFFFAOYSA-N,3,1,0.325,25,508,452.457,3.188,6,0.405,0.76,1.0,0.24726715098348298,0.2981118497704064,0.4090963607703379,0.43516551298745804,0.3474102186279213
EOS-3-05744,CNC(=O)c1ccc(-c2nnc3cncc(CCc4nc(C)nc(-c5cncnc5)n4)n23)cc1,WHWGUTWKWBGILO-UHFFFAOYSA-N,3,1,0.38,85,580,452.482,1.887,5,0.409,0.71,1.0,0.18364916729490782,0.05429716948804057,0.02298505928311973,0.009714892742101295,0.06766157220204236
EOS-3-05745,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(C#N)cc5)cn4)n23)cc1,QKMYHNUOIBVPSQ-UHFFFAOYSA-N,3,1,0.341,25,791,456.473,3.582,6,0.394,0.82,1.0,0.1093225275854979,0.15120622301418682,0.4772976492358303,0.5369919813583716,0.3187045952984716
EOS-3-05746,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccncn5)cn4)n23)cc1,JAMJWWIULYRUPQ-UHFFFAOYSA-N,3,1,0.333,52,582,450.462,3.328,6,0.418,0.81,1.0,0.3187581385785758,0.17070454389692277,0.1906826125693921,0.18422315125762456,0.21609211157562883
EOS-3-05747,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)nc2)n1C,NSLNOHUARZDNQD-UHFFFAOYSA-N,3,1,0.35,50,974,427.472,2.58,5,0.465,0.75,1.0,0.13393530258378453,0.1029401685970804,0.17109005551367282,0.06784147762319238,0.11895175107943254
EOS-3-05748,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)nc1,PCNPLBKJYHJIFL-UHFFFAOYSA-N,3,1,0.372,32,572,449.453,3.85,6,0.403,0.81,1.0,0.15077787677335344,0.2618994585703516,0.4599324926324447,0.5036837776711671,0.3440734014118292
EOS-3-05749,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)nc1,WYPOJEKNKYSZCW-UHFFFAOYSA-N,3,1,0.367,32,314,449.453,3.85,6,0.403,0.81,1.0,0.1748680693578233,0.2981204166952231,0.4705383455554794,0.5203293125899527,0.3659640360496197
EOS-3-05750,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)cc1,QLVOGTSCFAROCA-UHFFFAOYSA-N,3,1,0.535,89,731,430.453,2.383,5,0.434,0.76,1.0,0.2928774587074224,0.1667294907819889,0.21847371667466248,0.137404907134535,0.20387139332465218
EOS-3-05751,CNC(=O)c1ccc(-c2nnc3cncc(-c4oc(C)nc4-c4ccccc4OC)n23)cc1,QYMIQOKMWYZPNW-UHFFFAOYSA-N,3,1,0.36,62,124,440.463,3.79,5,0.443,0.81,0.997,0.3385648687547118,0.13247892536495098,0.30188986361455694,0.15727160578438765,0.23255131587965183
EOS-3-05752,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cn[nH]c5)cn4)n23)cc1,CFKDGYSONYMZBG-UHFFFAOYSA-N,3,1,0.314,74,453,423.44,2.531,6,0.445,0.83,1.0,0.13145089438695087,0.05835789185114111,0.09552121170584607,0.12863237612226716,0.10349059351655132
EOS-3-05753,Cc1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)nn1,HAZQQDLMHAITPM-UHFFFAOYSA-N,3,1,0.479,89,731,439.439,2.025,5,0.419,0.71,1.0,0.4314903022411075,0.1512147899390035,0.1198084435610993,0.061373449386608186,0.19097174628195462
EOS-3-05754,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)nn5)cn4)n23)cc1,DQQREFXMHAWDPS-UHFFFAOYSA-N,3,1,0.412,89,310,458.869,3.449,5,0.425,0.76,1.0,0.6764957850729902,0.5079929408539511,0.42403707765060655,0.3202573504214927,0.48219578849976014
EOS-3-05755,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cn1,SPVUIUHFNVLAEU-UHFFFAOYSA-N,3,1,0.451,89,943,467.493,2.453,6,0.387,0.82,1.0,0.33857343567952847,0.11541361113014872,0.09107497772599547,0.0735042149270098,0.1546415598656706
EOS-3-05756,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,RVGZKDGGROSZNQ-UHFFFAOYSA-N,3,1,0.351,62,302,422.448,4.006,6,0.46,0.83,1.0,0.2418271537248989,0.09331094510314578,0.3538139949283805,0.40006682201357,0.2722547289424988
EOS-3-05757,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cnc4OC)n23)c(C)c1,AKQBZARAGRCYTK-UHFFFAOYSA-N,3,1,0.294,82,859,452.478,2.987,5,0.432,0.78,1.0,0.257633130011651,0.06963196490987596,0.32753066959084365,0.15996162017682133,0.20368934617229797
EOS-3-05758,Cc1nn(C)cc1-c1cncc(-c2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)c1,BPXFZTQXJBMCTH-UHFFFAOYSA-N,3,1,0.315,74,738,449.478,2.816,5,0.409,0.74,1.0,0.08703995613734494,0.036512233568638204,0.3764906449181002,0.2476355287505997,0.18691959084367074
EOS-3-05759,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)cc1,JSGQYTAUSKCQEL-UHFFFAOYSA-N,3,1,0.333,61,336,440.511,3.668,5,0.444,0.81,0.999,0.12006545130559934,0.10294873552189705,0.22930230964293058,0.10812315811116442,0.14010991364539785
EOS-3-05760,COCCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)nc1,BJXNSILWOCMMNX-UHFFFAOYSA-N,3,1,0.432,68,457,473.415,2.555,4,0.388,0.83,0.989,0.40417037900075387,0.1552069769035707,0.6986841203481599,0.4128401069152217,0.4177253957919265
EOS-3-05761,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)nc4OCC)n23)cc1F,NDYUZIOSBGQJFS-UHFFFAOYSA-N,3,1,0.346,0,999,440.866,3.794,4,0.458,0.77,1.0,0.5136985127818519,0.48481084230004795,0.4531903228017271,0.38128812281543417,0.45824695017476524
EOS-3-05762,Cn1nc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,RVOKEPVDEWWSNO-UHFFFAOYSA-N,3,1,0.357,25,791,434.467,3.049,6,0.42,0.8,1.0,0.07829312589952711,0.09331951202796245,0.10577582071139743,0.18423171818244122,0.11540504420533204
EOS-3-05763,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,GJDXGONNZBVLPD-UHFFFAOYSA-N,3,1,0.306,30,301,431.463,3.711,6,0.419,0.81,0.998,0.08053766020149407,0.027585497909670343,0.2764546638338702,0.3202659173463094,0.176210934822836
EOS-3-05764,Cc1nc(Cc2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)cc(-c2cnccn2)n1,VSUNLFDCQQGNBO-UHFFFAOYSA-N,3,1,0.382,85,674,441.43,2.176,5,0.438,0.67,1.0,0.2088016585566445,0.17071311082173943,0.19423788636830924,0.159970187101638,0.1834307107120828
EOS-3-05765,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,GRWUIFVERVAXEW-UHFFFAOYSA-N,3,1,0.34,98,39,434.467,3.317,6,0.41,0.8,1.0,0.020654855732986088,0.014341032143101912,0.10849153587828113,0.14190254266328559,0.07134749160441367
EOS-3-05766,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)cn5)ccn4)n23)cc1,LMQFJABVLPNFMH-UHFFFAOYSA-N,3,1,0.495,89,731,452.478,2.89,5,0.418,0.75,1.0,0.42469673086148996,0.1753478171475567,0.29465081214447264,0.13975224453430196,0.2586119011719553
EOS-3-05767,Cc1cnc(-c2ccnc(-c3cncc4nnc(-c5ccc(C(N)=O)c(C)c5)n34)n2)cn1,VLNRBABWDWYNDW-UHFFFAOYSA-N,3,1,0.309,74,155,423.44,2.421,5,0.465,0.73,1.0,0.0945017476526626,0.018795833047769172,0.1057843876362141,0.06138201631142485,0.07011599616201769
EOS-3-05768,Cn1cc(-n2cc(-c3cncc4nnc(-c5cnn(C)c5-c5ccc(F)cc5)n34)cn2)cn1,JKCIVDJOQRBAPB-UHFFFAOYSA-N,3,1,0.354,98,450,440.446,2.917,6,0.418,0.75,1.0,0.009080940305667877,0.12572818860941676,0.36852340483859913,0.3909944486327188,0.22358174559660066
EOS-3-05769,N#Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(C#N)c4Cl)n23)c(F)c1,BEERVVDYWUMTON-UHFFFAOYSA-N,3,1,0.518,90,555,423.77,3.44,4,0.462,0.82,1.0,0.9325440339935577,0.9562658488109108,0.9561630457131108,0.9559745733671441,0.9502368754711807
EOS-3-05770,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5noc(C)n5)nc4)n23)cc1,FUGORBHBHOVBNT-UHFFFAOYSA-N,3,1,0.581,89,398,456.466,2.873,5,0.392,0.8,1.0,0.4041789459255706,0.1434445891302858,0.10316290864231376,0.040915632924405455,0.1729255191556439
EOS-3-05771,CNC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)cccc4-c4nnnn4C)n23)cc1,SDYKRVVCBBXWFY-UHFFFAOYSA-N,3,1,0.528,89,402,459.445,2.06,5,0.409,0.79,1.0,0.5473579603865396,0.427609485299157,0.2118343499417449,0.162574532245905,0.33734408196833665
EOS-3-05772,CCCc1ccsc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,MZQOGJOPKLMCQS-UHFFFAOYSA-N,3,1,0.402,63,108,434.525,3.672,5,0.455,0.76,0.994,0.1507864436981701,0.08039202247961072,0.028210883421287095,0.033102597491604414,0.07312298677266808
EOS-3-05773,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)c5)ncn4)n23)cc1,LAJBJNJRJWYQDY-UHFFFAOYSA-N,3,1,0.532,1,675,457.881,3.58,5,0.413,0.78,1.0,0.6339267356589678,0.48947981632513193,0.5695634295113426,0.5267802069769035,0.5549375471180865
EOS-3-05774,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)nc1,NBYLZRPQVAOZBD-UHFFFAOYSA-N,3,1,0.309,39,972,451.429,2.64,6,0.398,0.76,1.0,0.22230313206771296,0.27223116989925294,0.1252912754437667,0.21289664861901172,0.20818055650743608
EOS-3-05775,Cc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,HYVKQWXNTGIUQH-UHFFFAOYSA-N,3,1,0.33,74,295,449.478,2.906,6,0.434,0.71,1.0,0.10186073607018024,0.020783359605236106,0.07487492289767665,0.08967856898087863,0.0717993968884929
EOS-3-05776,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnc(Cl)c5)n4)n23)cc1,JQQPDXLJRNCANY-UHFFFAOYSA-N,3,1,0.392,29,849,429.831,2.458,5,0.43,0.76,1.0,0.15878795147693783,0.16673805770680555,0.2255157288739634,0.23308889041189776,0.19603265711740114
EOS-3-05777,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cnccn5)cn4)n23)cc1,WRCWUBATGMULMT-UHFFFAOYSA-N,3,1,0.353,86,167,433.439,2.501,6,0.412,0.74,1.0,0.07412960043862656,0.027594064834487012,0.12529984236858338,0.12448598451099993,0.08787737303817422
EOS-3-05778,Cc1nc(-c2ccnc(F)c2)cc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)n1,OIJBDXNRCZCRIF-UHFFFAOYSA-N,3,1,0.33,96,155,444.405,2.996,5,0.423,0.74,0.999,0.2282314440408471,0.21597217462819546,0.5462956617092728,0.4937204441093825,0.37105493112192445
EOS-3-05779,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccccc4)n23)cc1,JJMJZCYTVUPFLZ-UHFFFAOYSA-N,3,1,0.357,25,791,434.467,3.049,6,0.42,0.76,1.0,0.06434617229799192,0.07344424645329313,0.152414159413337,0.1978102940168597,0.12200371804537044
EOS-3-05780,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ncc(F)cc5F)c4)n23)cc1,BKAGGVUVYBCEKV-UHFFFAOYSA-N,3,1,0.427,14,358,460.419,3.96,5,0.428,0.76,1.0,0.41095538345555477,0.4322441916249743,0.8823075868686177,0.859656637653348,0.6462909499006236
EOS-3-05781,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(F)c(C5CC5)n4)n23)nc1,OIENMFJIAAQPQH-UHFFFAOYSA-N,3,1,0.32,63,108,416.42,2.552,6,0.532,0.79,0.831,0.14475532862723597,0.16674662463162224,0.00793297238023439,0.03847405935165513,0.08947724624768694
EOS-3-05782,CCNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(F)cn5)nc4)n23)cc1,SMSIDQMNRAGVKY-UHFFFAOYSA-N,3,1,0.436,89,770,456.441,3.324,5,0.413,0.77,1.0,0.8113734493866082,0.5080015077787677,0.2946593790692893,0.192567336029059,0.45165041806593104
EOS-3-05783,Cn1nnnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,ICOHMEGIGYGXMS-UHFFFAOYSA-N,3,1,0.558,43,402,445.418,1.799,5,0.417,0.74,1.0,0.6142228085806319,0.3616441642108149,0.2800270714824207,0.22723768076211362,0.3707829312589953
EOS-3-05784,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnc(F)c5)cc4Cl)n23)cn1,BLTIFLSGXKSEAR-UHFFFAOYSA-N,3,1,0.356,82,155,446.833,3.202,5,0.42,0.76,0.903,0.1894575423206086,0.32315297100952645,0.4979953395928997,0.5470495510931396,0.3894138510040436
EOS-3-05785,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cn1,DGNMQOWEOSJODX-UHFFFAOYSA-N,3,1,0.276,30,522,432.451,3.106,6,0.418,0.78,0.784,0.05063909259132342,0.02079192653005277,0.1338924679597012,0.17885168939757384,0.09604379411966281
EOS-3-05786,O=C(c1ccc(-c2cncc3nnc(-c4ncncc4-c4cccc(F)c4)n23)cc1)N1CCCC1,LTAXRYFWZJMQIT-UHFFFAOYSA-N,3,1,0.325,52,376,465.492,4.29,6,0.393,0.91,0.997,0.09204304023027894,0.09952196559522994,0.03676067438832157,0.20390994448632718,0.10805890617503941
EOS-3-05787,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5)n4C)n23)nc1,ORURPUATGBHSLY-UHFFFAOYSA-N,3,1,0.276,8,754,435.455,2.444,6,0.414,0.75,1.0,0.0460386539647728,0.02080049345486944,0.03808854773490508,0.04745219655952299,0.03809497292851758
EOS-3-05788,COCC(C)NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)nc1,ATVKTQROTIZUMJ-UHFFFAOYSA-N,3,1,0.388,63,505,454.893,3.334,4,0.46,0.67,0.996,0.37083647453909946,0.3278133781097937,0.6770783359605236,0.585463641971078,0.4902979576451236
EOS-3-05789,FC1CN(c2ncc(-c3nnc4cncc(Cc5ccc(-c6cncnn6)cc5)n34)cn2)C1,VLYNPMMLFYZXMJ-UHFFFAOYSA-N,3,1,0.364,85,60,440.446,2.182,6,0.406,0.74,1.0,0.1721352203413063,0.1360684668631348,0.04568741004728943,0.09358508669727915,0.11186904598725243
EOS-3-05790,COc1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(OC)n1,YUOWWUPDEQTBGU-UHFFFAOYSA-N,3,1,0.36,63,437,417.429,2.158,5,0.507,0.82,1.0,0.23344870125419778,0.017236652731135633,0.03676924131313824,0.01838462065656912,0.07645980398876019
EOS-3-05791,Cn1nc(-c2ccc(F)cn2)nc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,QMSDBFAEIMOEHC-UHFFFAOYSA-N,3,1,0.338,38,608,450.441,3.245,6,0.402,0.76,1.0,0.16420224796107188,0.27223973682406966,0.15524981152765405,0.21290521554382838,0.20114925296415598
EOS-3-05792,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)nc1,HZQCQLJEJSAWSN-UHFFFAOYSA-N,3,1,0.341,94,314,450.441,3.245,6,0.402,0.76,1.0,0.24424302652319924,0.3030292646151737,0.3127869919813584,0.37825543143033374,0.30957867863751626
EOS-3-05793,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccc(C)nc4)n23)c(F)c1,XGSWHVPBXRMNTE-UHFFFAOYSA-N,3,1,0.358,74,768,441.43,2.512,5,0.451,0.68,1.0,0.22529298882873003,0.21598074155301214,0.27238537454595296,0.22132650263861284,0.233746401891577
EOS-3-05794,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ncc(F)cn5)s4)n23)c(F)c1,PCXOXYZHSQRYAV-UHFFFAOYSA-N,3,1,0.35,50,836,451.422,2.405,5,0.442,0.72,1.0,0.1778236584195737,0.24676170241929957,0.1085001028030978,0.12658488109108354,0.16491758618326366
EOS-3-05795,CCn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)c(C)n1,NSPIWPPZQAHWEL-UHFFFAOYSA-N,3,1,0.303,52,582,464.533,3.937,6,0.408,0.84,1.0,0.10186930299499691,0.03957062572818861,0.1309625796724008,0.1307227057775341,0.1007813035432801
EOS-3-05796,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,NIGYRQUNPCJPRJ-UHFFFAOYSA-N,3,1,0.388,9,553,431.463,3.711,6,0.419,0.8,1.0,0.07026591734630937,0.0734528133781098,0.14604036734973613,0.1897488177643753,0.11987697895963265
EOS-3-05797,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)O)cn5)n34)cc2)nn1C,FCDOFDMNTYEJKC-UHFFFAOYSA-N,3,1,0.404,89,348,441.451,3.172,5,0.427,0.81,1.0,0.3059591529024741,0.01572030703858543,0.3018984305393736,0.14934720032896992,0.19323127270235074
EOS-3-05798,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nccn5C)n4)n23)cc1,UBJPSZFYQVBDTQ-UHFFFAOYSA-N,3,1,0.479,89,731,458.457,2.665,5,0.416,0.75,1.0,0.5602768830100747,0.4141594133369886,0.26155678157768486,0.15192584469878692,0.3469797306558838
EOS-3-05799,Cc1cncc(-c2nc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccc2F)c1,IMWGGQTWSFSDDX-UHFFFAOYSA-N,3,1,0.414,14,357,439.454,3.386,5,0.449,0.69,1.0,0.23629292029333152,0.16283153999040503,0.4912189020629155,0.41284867384003837,0.3257980090466726
EOS-3-05800,CC(C)n1c(CC(F)F)cnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,JKLANHLRWCEUTG-UHFFFAOYSA-N,3,1,0.292,63,108,452.469,3.331,5,0.461,0.72,0.003,0.09938489479816325,0.16284010691522172,0.13097114659721745,0.13497190048660132,0.13204201219930095
EOS-3-05801,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)c(F)n1,PKFXUFHADZKAAZ-UHFFFAOYSA-N,3,1,0.357,66,542,444.352,2.693,5,0.381,0.8,1.0,0.23630148721814817,0.35210060996504694,0.5014820779932835,0.4876036597902817,0.3943719587416901
EOS-3-05802,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ccc(-c4cncnn4)cc3)n12,QAXXPBNRYJNFKL-UHFFFAOYSA-N,3,1,0.35,62,740,422.452,2.641,5,0.461,0.72,1.0,0.2115687752724282,0.05836645877595778,0.3611472825714482,0.2715286820642862,0.22565279967103008
EOS-3-05803,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnc(F)c5)c4)n23)cc1F,UMQUFHVVQJJXMQ-UHFFFAOYSA-N,3,1,0.301,74,246,458.432,3.209,6,0.406,0.77,1.0,0.04915701459803989,0.18358919882119115,0.43883215680899185,0.5203378795147694,0.29797906243574807
EOS-3-05804,CC(O)c1ncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nn1,WXYCFDJCXOCLJF-UHFFFAOYSA-N,3,1,0.461,63,536,432.444,1.501,5,0.444,0.75,1.0,0.3571379617572476,0.14000068535398533,0.025949215269686795,0.01732232197930231,0.13510254609005548
EOS-3-05805,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(C(F)(F)F)nc5)n4)n23)cc1,BRJIVKOIXRLWNP-UHFFFAOYSA-N,3,1,0.375,50,845,463.383,2.823,5,0.429,0.73,1.0,0.33630320060311153,0.2671081488588856,0.6770869028853402,0.4664947570420122,0.4367482523473374
EOS-3-05806,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nccc(C(F)(F)F)n5)cnn4)n23)cc1,FZMOPVMUIOREIE-UHFFFAOYSA-N,3,1,0.376,74,121,463.383,2.823,5,0.429,0.73,1.0,0.29288602563223903,0.28769446919333835,0.7473528202316496,0.5570214515797409,0.471238691659242
EOS-3-05807,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cc1,HPNBRVVUDWWNHY-UHFFFAOYSA-N,3,1,0.346,64,27,449.453,3.85,6,0.403,0.83,1.0,0.16421081488588857,0.2159893084778288,0.372601261051333,0.4539784798848605,0.3016949660749777
EOS-3-05808,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1F,YACDPPILFDDZFC-UHFFFAOYSA-N,3,1,0.383,61,917,423.362,3.121,5,0.438,0.8,1.0,0.2761205537660201,0.4585360838873278,0.6548300322116373,0.662394626824755,0.512970324172435
EOS-3-05809,COCCNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)c(C)c1,MBSSDNUITNRBDP-UHFFFAOYSA-N,3,1,0.283,74,450,455.482,2.119,5,0.37,0.83,0.998,0.014246795970118567,0.005439997258584059,0.08392159550407785,0.038482626276471796,0.03552275375231306
EOS-3-05810,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cn(C)nn5)cn4)n23)cc1,BMGXUEOLTSYCSI-UHFFFAOYSA-N,3,1,0.457,89,408,442.443,1.315,5,0.412,0.77,1.0,0.3211311767527928,0.16284867384003837,0.07269035706942636,0.027225687067370295,0.14597397368240694
EOS-3-05811,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(F)cc(-c5cncnn5)cc4F)n23)cc1F,WIDRXGSUIJEEQH-UHFFFAOYSA-N,3,1,0.337,45,648,462.395,3.087,5,0.437,0.71,1.0,0.33135151805907753,0.36165273113563157,0.7882513193064218,0.7532297306558837,0.5586213247892536
EOS-3-05813,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncs5)cn4)n23)cn1,FXQPRIUITYOUQW-UHFFFAOYSA-N,3,1,0.389,82,290,428.481,2.655,5,0.458,0.72,1.0,0.10933109451031457,0.09651497498457953,0.11981701048591598,0.07544890686039339,0.10027799671030087
EOS-3-05814,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccccc5Cl)n34)n2)nc1,HGHHGBOBQDBIOP-UHFFFAOYSA-N,3,1,0.518,73,82,434.822,3.41,5,0.414,0.78,1.0,0.6455606195600028,0.7881999177575217,0.39865327941881984,0.5036923445959838,0.584026540333082
EOS-3-05815,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)cc1,PBSKMNOCUHDVRN-UHFFFAOYSA-N,3,1,0.528,7,408,443.402,1.855,5,0.415,0.73,1.0,0.6311253512439174,0.31324103899664174,0.2508309917072168,0.17043040230278939,0.3414069460626413
EOS-3-05816,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)cc2)c1,PKIJZOMIQODGMT-UHFFFAOYSA-N,3,1,0.333,3,158,442.446,3.368,6,0.407,0.77,1.0,0.04172092385717223,0.13248749228976767,0.40910492769515455,0.5037009115208005,0.27175356384072374
EOS-3-05817,CCCn1nc(C(F)(F)F)cc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,ZUAOAXOEAMXYPS-UHFFFAOYSA-N,3,1,0.379,66,334,469.471,3.9,5,0.443,0.81,1.0,0.23631005414296485,0.19223322596120895,0.3386248372284285,0.3014957850729902,0.26716597560139815
EOS-3-05818,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cc5F)cn4)n23)cc1,YTOYAVOLVSNFRV-UHFFFAOYSA-N,3,1,0.35,52,582,469.455,4.086,6,0.417,0.86,1.0,0.2363186210677815,0.22644095675416354,0.49439723116989925,0.5761085600712769,0.38331634226578026
EOS-3-05819,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccnc(F)c5)n4)n23)cc1,QFRSFKMJQDNVND-UHFFFAOYSA-N,3,1,0.41,14,319,443.417,3.216,5,0.418,0.73,1.0,0.3006733602905901,0.24165581522856555,0.6405318346926188,0.5917431978616956,0.4436510520183675
EOS-3-05820,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1C,QTLPHPQQVQOJTG-UHFFFAOYSA-N,3,1,0.549,89,250,440.467,2.573,5,0.43,0.73,1.0,0.45261633883901037,0.12573675553423344,0.1648104996230553,0.09560688095401275,0.20969261873757794
EOS-3-05821,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnnn6C)ccc5F)n34)cc2)n1,XWEQNEYADXOQJO-UHFFFAOYSA-N,3,1,0.355,25,508,454.433,1.978,6,0.392,0.77,1.0,0.2442515934480159,0.34728599821807965,0.11382873003906517,0.1572801727092043,0.21566162360359126
EOS-3-05822,Fc1ccc(-c2nnc3cncc(-c4ncc(F)c(CCNCC5CC5)n4)n23)c(F)c1,WYSZEMHNUIOIGQ-UHFFFAOYSA-N,3,1,0.381,78,9,425.418,3.208,5,0.458,0.79,0.993,0.2390086354602152,0.282468645055171,0.1552583784524707,0.4539870468096772,0.28268067644438355
EOS-3-05823,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,AFUROEUEDRHBLQ-UHFFFAOYSA-N,3,1,0.287,8,934,432.451,3.106,6,0.418,0.81,1.0,0.04604722088958947,0.03038688232472072,0.11982557741073264,0.17886025632239053,0.09377998423685835
EOS-3-05824,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5C6CCC5COC6)cc4)n23)nc1,AOCDWEGYAKOGIQ-UHFFFAOYSA-N,3,1,0.309,0,782,455.478,1.956,6,0.498,0.66,0.999,0.03721472140360496,0.002141731204166952,0.03281132204783771,0.07545747378521006,0.036906312110204925
EOS-3-05825,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(F)nc5)n4)n23)cc1,SBGYDUSOSYNXJI-UHFFFAOYSA-N,3,1,0.349,74,139,440.442,3.199,5,0.418,0.74,1.0,0.2115773421972449,0.17072167774655608,0.3839781372078679,0.3080152148584744,0.26857309300253585
EOS-3-05826,Cc1ccnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,HEWQDKFHPKIKOB-UHFFFAOYSA-N,3,1,0.536,4,156,430.859,3.579,5,0.416,0.78,1.0,0.7893136179836886,0.9118806113357549,0.29839455828935646,0.3457011171269961,0.5863224761839491
EOS-3-05827,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccc(-c5cn(C)nc5C)n4)n23)cc1,XHHPDIKAVSXZFO-UHFFFAOYSA-N,3,1,0.326,74,333,425.456,2.317,5,0.47,0.7,1.0,0.07413816736344322,0.020809060379686106,0.09552977863066274,0.040924199849222125,0.05785030155575355
EOS-3-05828,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(OC)c(F)c5)ns4)n23)cc1,OJLPOMBJLBVALK-UHFFFAOYSA-N,3,1,0.376,62,837,461.482,3.484,5,0.427,0.81,1.0,0.37315811116441644,0.3855287505996847,0.33504386265506136,0.23309745733671441,0.33170704543896923
EOS-3-05829,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)s4)n23)cc1,GVGRDPFPRAXMGV-UHFFFAOYSA-N,3,1,0.282,25,213,437.492,3.772,6,0.414,0.81,1.0,0.09205160715509561,0.09016688369542869,0.20468953464464396,0.26590021245973544,0.1632020594887259
EOS-3-05830,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)cc1,UYIHMYADDIKAER-UHFFFAOYSA-N,3,1,0.364,25,791,449.453,3.85,6,0.403,0.82,1.0,0.19483757110547598,0.3571036940579809,0.4912274689877322,0.5761171269960935,0.4048214652868206
EOS-3-05831,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncn5C)no4)n23)cc1,AEXFFRDOPQMILI-UHFFFAOYSA-N,3,1,0.54,89,707,430.428,2.118,5,0.434,0.76,1.0,0.44535158659447605,0.1753563840723734,0.17109862243848947,0.07149098759509287,0.21582439517510796
EOS-3-05832,Cc1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)c2)o1,RMABQZNGJOURED-UHFFFAOYSA-N,3,1,0.309,74,295,457.429,2.638,6,0.422,0.74,1.0,0.1808563498046741,0.16285724076485505,0.07702522102666028,0.12214721403604963,0.13572150640805977
EOS-3-05833,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ccc(F)nc5)s4)n23)cc1,PTLHALXAQLQLAC-UHFFFAOYSA-N,3,1,0.39,14,357,445.483,3.399,5,0.417,0.76,0.983,0.15344219039133714,0.17073024467137277,0.3239154273182099,0.2567593036803509,0.22621179151531767
EOS-3-05834,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(Br)cc4)n23)c(Cl)c1,GBCDGFPFXMCCAH-UHFFFAOYSA-N,3,1,0.447,48,646,470.758,4.352,4,0.471,0.8,1.0,0.402157151668837,0.45854465081214446,0.6715012679048729,0.6797683503529574,0.5529928551847029
EOS-3-05835,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(C)ncn5)c4)n23)cc1,JDQWRVNBGTZHJK-UHFFFAOYSA-N,3,1,0.527,89,656,452.478,2.89,5,0.418,0.76,1.0,0.5394849564800219,0.140009252278802,0.364865327941882,0.18685319717634158,0.3078031834692619
EOS-3-05836,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccn5C)n4)n23)cc1F,DZAFIVCWQZBTIS-UHFFFAOYSA-N,3,1,0.433,7,408,459.445,2.06,5,0.409,0.75,1.0,0.4477074909190597,0.3809368788979508,0.18077068055650744,0.11291206908368172,0.28058177986429994
EOS-3-05837,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c1,ZEHPDYCHCNHTRT-UHFFFAOYSA-N,3,1,0.316,25,213,432.451,3.106,6,0.418,0.77,1.0,0.09695188815022959,0.06964053183469261,0.21848228359947913,0.2686758961003358,0.16343764992118429
EOS-3-05838,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccnc(F)c5)n4)n23)cc1F,QHVQSPVAIRTPDU-UHFFFAOYSA-N,3,1,0.33,96,802,461.407,3.692,5,0.41,0.82,1.0,0.3262627647179768,0.3762079363991502,0.7904187512850387,0.755748406551984,0.5621594647385374
EOS-3-05839,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)nc2)n1,BDJSOSPBLLSGDB-UHFFFAOYSA-N,3,1,0.314,39,972,451.429,2.64,6,0.398,0.75,1.0,0.1560808032348708,0.2264495236789802,0.11705846069494893,0.18975738468919195,0.17233654307449797
EOS-3-05840,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nc5)cn4)n23)cc1,PGJQPFFWVNNEBX-UHFFFAOYSA-N,3,1,0.545,89,943,442.414,2.46,5,0.396,0.77,1.0,0.7399252964155987,0.337296963881845,0.419976355287506,0.3080237817832911,0.4513055993420602
EOS-3-05841,O=C(c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)nc1)N1CCOCC1,GWTNKRDSJWZPKX-UHFFFAOYSA-N,3,1,0.396,78,455,471.403,1.453,5,0.435,0.72,1.0,0.05740696319649099,0.030395449249537385,0.010665821396751422,0.018984305393735863,0.029363134809128916
EOS-3-05842,O=C(O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)c(F)c1,JNYWHOQDLBXJNS-UHFFFAOYSA-N,3,1,0.489,68,127,434.309,3.016,4,0.477,0.71,1.0,0.6086457405249811,0.4762867521074635,0.9244568569666233,0.7711346035227195,0.6951309882804468
EOS-3-05843,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cn1,OBTYSBYOFSKQNT-UHFFFAOYSA-N,3,1,0.341,82,336,427.403,2.204,5,0.463,0.68,1.0,0.2845932424097046,0.23625865259406484,0.32392399424302654,0.2834709752587211,0.2820617161263793
EOS-3-05844,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cn2)cn1,HUCIWPBZRVIOIA-UHFFFAOYSA-N,3,1,0.341,70,687,431.463,3.711,6,0.419,0.79,1.0,0.030678157768487424,0.02760263175930368,0.40208004934548697,0.37495716537591667,0.2088295010622987
EOS-3-05845,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,GKOXTTPTJFOFFF-UHFFFAOYSA-N,3,1,0.287,33,523,468.481,1.945,6,0.396,0.84,0.999,0.10933966143513124,0.08712562538551162,0.027028647796586938,0.02818518264683709,0.06291977931601672
EOS-3-05846,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)cc1,ISILEOZWVZLUEJ-UHFFFAOYSA-N,3,1,0.33,74,333,459.42,2.7,5,0.411,0.77,1.0,0.2253015557535467,0.14345315605510245,0.5463042286340896,0.42543348639572337,0.33512310670961554
EOS-3-05847,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(F)cn2)o1,WMUOVMDNOZTPSY-UHFFFAOYSA-N,3,1,0.411,74,124,416.376,2.45,5,0.471,0.85,0.998,0.22231169899252964,0.1628658076896717,0.24013090261119868,0.19501747652662602,0.20508147145500652
EOS-3-05848,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cncnn5)cn4)n23)cc1,YQYCJYFHYPSYQK-UHFFFAOYSA-N,3,1,0.382,52,916,467.468,2.66,6,0.404,0.75,1.0,0.1560893701596875,0.15521554382838737,0.18736721266534165,0.24469707353848263,0.1858423000479748
EOS-3-05849,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnn5)nc4F)n23)cc1F,KQXJVLOLMDEEHP-UHFFFAOYSA-N,3,1,0.337,50,768,446.381,1.738,5,0.438,0.67,1.0,0.27612912069083684,0.2313669385237475,0.24364334178603247,0.23601021177438147,0.24678740319374953
EOS-3-05850,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)cn1,SIZPSEAMOHAMDI-UHFFFAOYSA-N,3,1,0.321,25,213,446.478,3.414,6,0.405,0.8,1.0,0.08967856898087863,0.09332807895277911,0.24722431635939962,0.24764409567541634,0.16946876499211844
EOS-3-05851,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)c(F)c5)ccc4F)n23)cc1,SBHIDRVZCRCXNL-UHFFFAOYSA-N,3,1,0.426,96,3,446.392,4.037,5,0.42,0.83,0.997,0.3139006922075252,0.3855373175245014,0.9312161606469742,0.9126859022685216,0.6358350181618806
EOS-3-05852,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)nn1,DQXBZULLNAVBSC-UHFFFAOYSA-N,3,1,0.474,89,398,467.493,2.453,6,0.387,0.85,0.973,0.23632718799259816,0.0965235419093962,0.08877047495031183,0.08088890411897745,0.12562752724282092
EOS-3-05853,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C5(F)CCC5)ns4)n23)cc1Cl,VUYNGNLVDMNLDH-UHFFFAOYSA-N,3,1,0.341,63,306,443.895,3.672,5,0.516,0.73,1.0,0.2140531834692619,0.26190802549516823,0.009629223493934616,0.0792012199300939,0.14119791309711466
EOS-3-05854,Brc1ccc(-c2nnc3cncc(Cc4cc(-c5cccnc5)ncn4)n23)cc1,JHRNQEGCIXFRQS-UHFFFAOYSA-N,3,1,0.395,14,81,444.296,3.997,5,0.417,0.79,1.0,0.3480655883763964,0.40931053389075456,0.5326057158522377,0.5825166198341444,0.4681246144883833
EOS-3-05855,CONC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)s5)cn4)n23)cc1,BCQUAWAAMUBPIN-UHFFFAOYSA-N,3,1,0.333,62,139,442.504,4.181,5,0.41,0.87,1.0,0.1778322253443904,0.09653210883421287,0.48804057295593173,0.3265454732369269,0.2722375950928655
EOS-3-05856,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cnc(F)cn5)ccn4)n23)cn1,GLMILEFSBIWLBA-UHFFFAOYSA-N,3,1,0.374,85,290,427.403,1.867,5,0.449,0.68,1.0,0.18365773421972448,0.1667551915564389,0.19069117949420875,0.15997875402645467,0.1752707148242067
EOS-3-05857,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)c1,WLBCELVOGLHUDJ-UHFFFAOYSA-N,3,1,0.388,61,917,415.392,1.887,5,0.474,0.86,1.0,0.17214378726612295,0.20170824480844357,0.23302892193818106,0.2447056404632993,0.2128966486190117
EOS-3-05858,COc1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cc(-c2cccc(F)c2)c1,XCTCRVNETNMLEG-UHFFFAOYSA-N,3,1,0.484,79,319,453.477,4.296,5,0.414,0.81,1.0,0.5716109245425263,0.5397076965252553,0.836782948392845,0.7532382975807004,0.6753349667603317
EOS-3-05859,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(COC)n4)n23)cn1,VZHYIQGPQWIMFN-UHFFFAOYSA-N,3,1,0.478,90,636,423.408,1.805,4,0.478,0.74,1.0,0.4712922349393462,0.40009252278802,0.1807792474813241,0.08787951476937839,0.28501087999451713
EOS-3-05860,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5nc[nH]n5)c4)n23)cc1,IYVODSGNBLZYPX-UHFFFAOYSA-N,3,1,0.311,62,302,422.452,3.136,6,0.45,0.84,1.0,0.1863648824617915,0.06616236035912548,0.1777722568706737,0.2272462476869303,0.16438643684463022
EOS-3-05861,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cnccn5)cc(F)c4F)n23)cc1,CFSGDTQNSUVMTM-UHFFFAOYSA-N,3,1,0.363,62,341,469.455,4.086,6,0.417,0.84,1.0,0.26044308135151806,0.2362672195188815,0.6226012610513331,0.6710386539647728,0.44758755397162636
EOS-3-05862,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncccc5F)cnn4)n23)cc1,WATMUNXKSKUVBE-UHFFFAOYSA-N,3,1,0.465,89,534,456.441,2.721,5,0.414,0.73,1.0,0.4987492289767665,0.3712990884791995,0.38007161949146734,0.28043828387362074,0.38263955520526355
EOS-3-05863,CCn1nccc1-c1cncc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)n1,WXJZLBPNPCKWLR-UHFFFAOYSA-N,3,1,0.333,74,333,425.456,2.491,5,0.46,0.73,1.0,0.0896871359056953,0.027611198684120347,0.09553834555547941,0.05263518607360702,0.06636796655472552
EOS-3-05864,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ccccc5)cn4)n23)cc1,XOVHGQNIUFCJJM-UHFFFAOYSA-N,3,1,0.429,62,366,434.503,3.998,5,0.437,0.79,1.0,0.2418357206497156,0.09953053252004661,0.41998492221232264,0.35523610444794734,0.27914681995750806
EOS-3-05865,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncn5C)c4)n23)cc1,NSBKYABIEUCVFL-UHFFFAOYSA-N,3,1,0.534,89,656,440.467,2.525,5,0.432,0.76,1.0,0.5063052566650675,0.14346172297991913,0.3685319717634158,0.19502604345144267,0.30333124871496125
EOS-3-05866,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)cc1)N1CC(F)C1,UHYXSHKEEFYAFB-UHFFFAOYSA-N,3,1,0.324,52,376,456.506,4.376,6,0.401,0.87,1.0,0.16956514289630595,0.14715406757590296,0.26501781920361867,0.3938815022959358,0.24390463299294085
EOS-3-05867,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccnnc5)cn4)n23)nc1)N1CCCC1,OTUUROIZWLUACT-UHFFFAOYSA-N,3,1,0.316,33,821,450.466,2.336,6,0.405,0.74,0.996,0.018667329175519155,0.003092659858817079,0.002201699677883627,0.007024878349667603,0.007746641765471865
EOS-3-05868,Cc1cnc(-c2cnc(Oc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)cn2)cn1,BVRFTGYBZDZHST-UHFFFAOYSA-N,3,1,0.462,7,85,426.396,2.837,5,0.446,0.81,1.0,0.4247052977863066,0.05430573641285724,0.22552429579878008,0.1059985607566308,0.2026334726886437
EOS-3-05869,NC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccnc(F)c4)n23)cc1F,ZFIZJHZQCVRLGR-UHFFFAOYSA-N,3,1,0.343,96,155,430.378,2.687,5,0.435,0.72,1.0,0.23901720238503188,0.2313755054485642,0.5158659447604688,0.520346446439586,0.37665127475841276
EOS-3-05870,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5F)cc4F)n23)cn1,UFDDXLAYRHHRRT-UHFFFAOYSA-N,3,1,0.389,82,478,430.378,2.687,5,0.435,0.72,0.934,0.21158590912206154,0.24677026934411625,0.5088067987115346,0.49372901103419914,0.3652229970529779
EOS-3-05871,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)c1,JEFXYNWDOZOUKP-UHFFFAOYSA-N,3,1,0.314,39,144,436.414,3.03,6,0.414,0.77,0.993,0.008344184771434445,0.12210437941196628,0.12530840929340004,0.2536495099719005,0.12735162086217533
EOS-3-05872,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cc1,RZUAEFYFARBHQH-UHFFFAOYSA-N,3,1,0.342,25,508,453.445,2.583,6,0.4,0.73,1.0,0.23633575491741485,0.28247721197998765,0.20828764306764444,0.2505311493386334,0.2444079398259201
EOS-3-05873,Cc1nc(-c2ccnc(F)c2)c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)s1,RLZAMGGTTXKWJH-UHFFFAOYSA-N,3,1,0.388,62,139,431.456,3.523,5,0.436,0.78,0.993,0.10187786991981358,0.1835977657460078,0.31668494277294224,0.277542663285587,0.21992581043108766
EOS-3-05874,Cc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)nn1,VECSQPHJYOJXKU-UHFFFAOYSA-N,3,1,0.26,10,952,433.439,2.594,6,0.412,0.79,0.81,0.003315399904050442,0.0172452196559523,0.03952779110410527,0.07351278185182647,0.033400298128983624
EOS-3-05875,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-n5cccn5)c(F)c4)n23)cc1,LCOAVPXPCQETIK-UHFFFAOYSA-N,3,1,0.747,91,309,443.442,2.837,5,0.414,0.76,1.0,0.46877355904324586,0.11258652594064834,0.5495682269892399,0.4412822973065588,0.39305265231992326
EOS-3-05876,Cc1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5(F)CC5)cn4)n23)nc1,QAGDZRKKUQDWEE-UHFFFAOYSA-N,3,1,0.426,63,457,419.42,2.658,5,0.479,0.77,0.996,0.36856623946268247,0.16676375848125558,0.12274689877321637,0.134980467411418,0.1982643410321431
EOS-3-05877,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)cc1,QPSARINLWZMZGX-UHFFFAOYSA-N,3,1,0.319,98,42,434.467,3.049,6,0.42,0.73,1.0,0.1420824480844356,0.05431430333767391,0.19769035706942636,0.1842402851072579,0.14458184839969843
EOS-3-05878,Cc1nn(C)c(-c2ncccn2)c1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,AXVMPYDNUYRINJ-UHFFFAOYSA-N,3,1,0.314,52,295,451.494,2.849,6,0.437,0.75,1.0,0.03722328832842163,0.0157288739634021,0.020029470221369337,0.027234253992186964,0.025053971626345005
EOS-3-05879,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cc(-c5nn[nH]n5)ccc4F)n23)cn1,YJHIYHKEPHIBMK-UHFFFAOYSA-N,3,1,0.309,98,314,439.418,2.573,6,0.444,0.73,1.0,0.2846018093345213,0.3472945651428963,0.28003563840723733,0.30486258652594067,0.3041986498526489
EOS-3-05880,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnc(C)c5F)cn4)n23)cc1F,MNEYCIVOVZVISH-UHFFFAOYSA-N,3,1,0.327,82,736,458.432,3.257,5,0.44,0.73,1.0,0.26318449729285176,0.21114899595641148,0.5463127955589062,0.46330786101021176,0.3709885374545953
EOS-3-05881,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)cc4F)n23)cc1,ZDYANRORARNBFX-UHFFFAOYSA-N,3,1,0.366,62,302,456.506,4.613,6,0.417,0.9,1.0,0.2031646220272771,0.23138407237338085,0.41999348913713935,0.4907048865739154,0.3363117675279282
EOS-3-05882,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cn4)n23)cc1,JNEKZQAFTGDUEM-UHFFFAOYSA-N,3,1,0.322,25,213,446.478,3.414,6,0.405,0.79,1.0,0.10934822835994791,0.09654067575902954,0.16481906654787198,0.22133506956342952,0.14801076005756975
EOS-3-05883,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ncc(F)c(C)n5)n4)n23)cc1,HFDDHAVFQUDPCM-UHFFFAOYSA-N,3,1,0.353,74,333,442.418,1.907,5,0.442,0.68,1.0,0.2604516482763347,0.19224179288602564,0.07703378795147693,0.05398876019464053,0.14592899732711945
EOS-3-05884,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cc(-c5cccnn5)ccc4F)n23)cc1,OTHSYQBQLCHMJU-UHFFFAOYSA-N,3,1,0.412,62,319,454.469,3.359,5,0.405,0.79,1.0,0.2576416969364677,0.2061716126379275,0.5158745116852854,0.3812966897402508,0.34024612774998286
EOS-3-05885,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)cc1,SSXNVDORKIJOAC-UHFFFAOYSA-N,3,1,0.358,3,39,438.43,2.974,6,0.417,0.75,1.0,0.023798917140703174,0.18795833047769173,0.34600095949557946,0.40957610856007126,0.24183357891851143
EOS-3-05886,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C(F)F)c5)cnn4)n23)cn1,GGUQUJJSWJNWKT-UHFFFAOYSA-N,3,1,0.333,50,974,448.397,2.262,5,0.434,0.7,0.95,0.11500239873894867,0.1795284764580906,0.36487389486669863,0.25365807689671716,0.22826571174011379
EOS-3-05887,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(O)c5)n4)n23)cc1,TVIKAQCBDSLVAK-UHFFFAOYSA-N,3,1,0.326,29,704,424.424,2.376,5,0.45,0.77,1.0,0.34103214310191216,0.1434702899047358,0.1942464532931259,0.12864094304708382,0.20184745733671444
EOS-3-05888,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cc1=O,TUIGXTHFIZTMQN-UHFFFAOYSA-N,3,1,0.5,43,521,446.417,3.409,5,0.411,0.78,1.0,0.6486447124940031,0.4716691796312796,0.8170961551641422,0.7944794736481393,0.682972380234391
EOS-3-05889,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(F)nn5)cn4)n23)cc1,HVDYCBKXLXQULX-UHFFFAOYSA-N,3,1,0.505,89,731,443.402,1.855,5,0.415,0.72,1.0,0.617238366116099,0.287703036118155,0.23641285724076486,0.16773182098553904,0.32727152011513944
EOS-3-05890,NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnnc(F)c5)c4)n23)c(Cl)c1,HHCCJZZMVJGBTM-UHFFFAOYSA-N,3,1,0.373,22,450,435.81,2.325,5,0.458,0.67,1.0,0.020663422657802754,0.17536495099719004,0.4844081968336646,0.5037094784456172,0.29603651223356864
EOS-3-05891,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc6ccccn56)nn4)n23)c(F)c1,WQTIHRDRWGMCCL-UHFFFAOYSA-N,3,1,0.37,10,541,451.425,2.801,6,0.436,0.68,0.834,0.1808649167294908,0.22645809060379687,0.36488246179151534,0.39389006922075254,0.2915238845863889
EOS-3-05892,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nn5)s4)n23)nc1,TVDFZACIODAPQR-UHFFFAOYSA-N,3,1,0.306,53,432,450.875,2.175,5,0.436,0.71,0.391,0.10443081351518059,0.14716263450071962,0.02381605099033651,0.02819374957165376,0.07590081214447263
EOS-3-05893,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1,MJRNRPAGPCBNDQ-UHFFFAOYSA-N,3,1,0.312,25,508,432.451,3.106,6,0.418,0.76,1.0,0.12007401823041601,0.08390446165444453,0.25083955863203344,0.2984545267630731,0.18831814131999175
EOS-3-05894,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C)n5)cn4)n23)cc1,QSAHSTZDOAKOHR-UHFFFAOYSA-N,3,1,0.511,89,926,441.455,1.92,5,0.424,0.77,1.0,0.3779041875128504,0.17953704338290727,0.1746110616133233,0.07149955451990954,0.20088796175724763
EOS-3-05895,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cc1,ULDVDCWSAYHGDH-UHFFFAOYSA-N,3,1,0.323,25,508,435.455,2.444,6,0.414,0.72,1.0,0.08969570283051195,0.06617092728394215,0.14310191213761908,0.165153176615722,0.1160304297169488
EOS-3-05896,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)cc1,HZVDOVZDKONGLR-UHFFFAOYSA-N,3,1,0.323,25,508,435.455,2.444,6,0.414,0.72,1.0,0.08970426975532862,0.06617949420875882,0.14311047906243574,0.1651617435405387,0.11603899664176547
EOS-3-05897,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)nn1,ROLPGHPPSCYPMZ-UHFFFAOYSA-N,3,1,0.536,89,637,426.44,2.265,5,0.441,0.78,1.0,0.4453601535192927,0.16677232540607223,0.30912034815982453,0.2007401823041601,0.2804982523473374
EOS-3-05898,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)cc1,VPKYGUDHSGAOEN-UHFFFAOYSA-N,3,1,0.329,98,746,437.431,1.234,6,0.395,0.74,1.0,0.11191830580494826,0.06964909875950928,0.01282468645055171,0.01552326776780207,0.05247883969570283
EOS-3-05899,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)n1,AMUQZMNRBMJJKZ-UHFFFAOYSA-N,3,1,0.31,25,508,447.466,2.809,6,0.401,0.76,1.0,0.08263655678157769,0.06965766568432595,0.11983414433554931,0.13498903433623466,0.1017793502844219
EOS-3-05900,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5cnccn5)ncc4F)n23)cc1,XISQJNAKHLNNJP-UHFFFAOYSA-N,3,1,0.474,89,408,457.429,2.116,5,0.407,0.74,1.0,0.6031714755671305,0.37621650332396683,0.17110718936330616,0.10391679802618052,0.31360299157014604
EOS-3-05901,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(C#N)cn5)cn4)n23)c(F)c1,WFSXQYLUAJPSEK-UHFFFAOYSA-N,3,1,0.394,89,412,467.424,2.806,5,0.412,0.81,1.0,0.6703790007538893,0.5351843602220547,0.4880491398807484,0.35860290590089783,0.5130538516893975
EOS-3-05902,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cc2)n1C,JVLCWHOSKROJGM-UHFFFAOYSA-N,3,1,0.3,42,150,433.479,3.748,6,0.421,0.79,1.0,0.014255362894935234,0.04315160030155575,0.32753923651566036,0.2804468507984374,0.16634826262764718
EOS-3-05903,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cnn(C)c5)cn4)n23)c(F)c1,ZBIPCUJWUZQBMN-UHFFFAOYSA-N,3,1,0.39,85,674,443.446,2.071,5,0.442,0.69,1.0,0.15609793708450415,0.26191659241998494,0.2687872661229525,0.17587039956137346,0.21566804879720375
EOS-3-05904,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cc1,NSMOGUNMRJDNKK-UHFFFAOYSA-N,3,1,0.534,89,770,464.489,3.115,6,0.39,0.82,1.0,0.41762045096292233,0.1154221780549654,0.13715646631485162,0.13073127270235077,0.2002325920087725
EOS-3-05905,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)c4)n23)cc1,CNMRJFMOTGZTCJ-UHFFFAOYSA-N,3,1,0.457,89,398,464.489,3.115,6,0.39,0.82,1.0,0.4109639503803715,0.11869474333493249,0.17778082379549037,0.1758789664861901,0.22082962099924613
EOS-3-05906,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccn5)c4)n23)cc1,PLZZQXKHHVRPKW-UHFFFAOYSA-N,3,1,0.495,89,656,464.489,3.115,6,0.39,0.82,1.0,0.44536872044410936,0.11259509286546501,0.16170927283942158,0.1544616544445206,0.21853368514837912
EOS-3-05907,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)cc1,YDMRPESZKBCNHL-UHFFFAOYSA-N,3,1,0.322,98,882,434.467,3.049,6,0.42,0.76,1.0,0.11192687272976493,0.06618806113357549,0.25442910013021725,0.22725481461174696,0.16494971215132614
EOS-3-05908,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)cn2)cn1,DZHCMVIVHZUFPY-UHFFFAOYSA-N,3,1,0.33,10,151,437.442,3.579,6,0.419,0.76,1.0,0.0033239668288671097,0.14001781920361867,0.5791326845315605,0.5885134672058118,0.32774698444246453
EOS-3-05909,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)n4)n23)c(F)c1,CXELJTQBAUWVME-UHFFFAOYSA-N,3,1,0.439,24,731,456.441,2.721,5,0.414,0.74,1.0,0.5113940100061681,0.40931910081557127,0.335052429579878,0.24188712219861558,0.3744131656500583
EOS-3-05910,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5C(C)CCC5C)cc4)n23)cc1,HEBKJCNNHVLJSQ-UHFFFAOYSA-N,3,1,0.368,0,901,454.534,3.831,5,0.506,0.71,1.0,0.17784079226920704,0.027619765608937016,0.2184908505242958,0.15728873963402099,0.1453100370091152
EOS-3-05911,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)cc1,OSVBWUPOBVETCX-UHFFFAOYSA-N,3,1,0.388,62,3,442.429,4.158,5,0.423,0.81,1.0,0.30068192721540676,0.34730313206771296,0.8717788362689329,0.8261770954698101,0.5864852477554657
EOS-3-05912,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cncc(-c5cc(C)ncn5)n4)n23)cc1F,WSWHIQIMPLLGGS-UHFFFAOYSA-N,3,1,0.364,74,788,457.429,2.638,5,0.423,0.74,1.0,0.6339353025837845,0.3902748269481187,0.29466794599410595,0.18165307381262422,0.3751327873346584
EOS-3-05913,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c1,PFUULQNDHFOKLB-UHFFFAOYSA-N,3,1,0.33,10,298,435.426,3.635,6,0.417,0.79,0.999,0.009757727366184634,0.12211294633678295,0.4274467137276403,0.5370005482831882,0.27407948392844905
EOS-3-05914,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccc(F)c5)c4)n23)nc1,NXNQCRMOMJGGOG-UHFFFAOYSA-N,3,1,0.357,62,3,424.439,4.019,5,0.471,0.79,1.0,0.1863734493866082,0.2313926392981975,0.6797083818792407,0.6710472208895895,0.442130422863409
EOS-3-05915,COCCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cn4)n23)cc1,WASJJVVFSUGPKX-UHFFFAOYSA-N,3,1,0.315,74,918,457.458,0.815,5,0.348,0.83,1.0,0.07221917620450963,0.010040435885134672,0.01395552052635186,0.005842642724967446,0.025514443835240902
EOS-3-05917,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5)cn4)n23)cc1,QDRBWVJYSQPZKX-UHFFFAOYSA-N,3,1,0.374,62,302,450.477,4.552,6,0.425,0.88,1.0,0.22531012267836337,0.2824857789048043,0.559420190528408,0.647950791583853,0.4287917209238572
EOS-3-05918,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,KHHYPYRMBGUAOR-UHFFFAOYSA-N,3,1,0.4,93,651,430.475,4.316,6,0.414,0.89,1.0,0.14209101500925228,0.08713419231032829,0.4494380097320266,0.49373757795901585,0.29310019875265575
EOS-3-05919,Cc1cnc2c(Cc3cncc4nnc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)cnnc2c1,VICXXOAFWFPGSD-UHFFFAOYSA-N,3,1,0.443,52,751,466.505,2.501,6,0.397,0.82,1.0,0.07027448427112604,0.01004900280995134,0.005868343499417449,0.01610581865533548,0.02557441230895758
EOS-3-05920,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4)n23)nc1)N1CCCC1,KMNOWEVTSPPFPF-UHFFFAOYSA-N,3,1,0.344,52,821,467.468,3.08,6,0.396,0.83,0.494,0.12556541703790008,0.10614419847851415,0.004831745596600644,0.023593310945103144,0.0650336680145295
EOS-3-05921,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C)nc4-c4cccnc4)n23)cn1,LHHNVAZOXOMQMU-UHFFFAOYSA-N,3,1,0.347,82,514,423.44,2.373,5,0.467,0.73,1.0,0.2115944760468782,0.07346138030292647,0.10054999657323008,0.05834932492632445,0.1109887944623398
EOS-3-05922,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(CN5CCOCC5)cc4F)n23)cc1,LRCLTAAVQKIOOS-UHFFFAOYSA-N,3,1,0.455,63,536,477.5,2.096,5,0.431,0.82,1.0,0.3915255979713522,0.036520800493454866,0.040967034473305464,0.05835789185114111,0.1318428311973134
EOS-3-05923,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)cn1,SLUCZKTUVLQKKJ-UHFFFAOYSA-N,3,1,0.495,89,399,427.428,1.66,5,0.432,0.76,1.0,0.3638715646631485,0.14347885682955247,0.18078781440614078,0.08603762593379481,0.19354396545815913
EOS-3-05924,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncn5C)n4)n23)cc1,LDUFKXGACFSQOY-UHFFFAOYSA-N,3,1,0.402,14,357,456.485,3.066,5,0.421,0.73,1.0,0.2197416215475293,0.22646665752861353,0.2650263861284353,0.17886882324720718,0.22252587211294633
EOS-3-05925,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnn(C)c5)cn4)n23)nc1,NIWDWTRZVIALQJ-UHFFFAOYSA-N,3,1,0.394,33,943,442.443,1.315,5,0.412,0.74,1.0,0.26588307861010213,0.10615276540333082,0.0770423548762936,0.024458570351586596,0.11838419231032829
EOS-3-05926,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cn(C)nc5C)ccc4F)n23)cc1,TVNGUZNXRKZCQG-UHFFFAOYSA-N,3,1,0.427,62,319,455.497,3.59,5,0.437,0.74,1.0,0.18946610924542526,0.20171681173326023,0.5729901994380098,0.4159327667740388,0.34502647179768353
EOS-3-05927,CNC(=O)c1ccc(-c2nnc3cncc(OCn4c(C(F)F)nc5ccccc54)n23)cc1,PDCIPLSKFCCVDO-UHFFFAOYSA-N,3,1,0.447,48,637,449.421,3.475,5,0.426,0.8,1.0,0.7978291412514564,0.46741141799739566,0.48441676375848125,0.34570968405181274,0.5238417517647865
EOS-3-05928,Cc1nnc(-c2nc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cnc2Cl)s1,OLAHOLVBERGMAI-UHFFFAOYSA-N,3,1,0.419,74,333,449.887,2.828,5,0.442,0.7,1.0,0.13394386950860118,0.23627578644369818,0.043922623535055855,0.05836645877595778,0.11812718456582824
EOS-3-05929,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC(F)(F)C5)cn4)n23)cc1F,NYUJLLXLDFEHLV-UHFFFAOYSA-N,3,1,0.343,0,175,481.438,2.963,5,0.479,0.8,0.654,0.1695737098211226,0.2017253786580769,0.11984271126036598,0.2775512302104037,0.1921732574874923
EOS-3-05930,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)cc1,KGEBLRBFINCSIP-UHFFFAOYSA-N,3,1,0.329,98,746,436.443,1.839,6,0.406,0.74,1.0,0.08264512370639435,0.04695531492015626,0.029281749023370572,0.034156329244054554,0.04825962922349393
EOS-3-05931,COc1cc(-c2ncsc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ccn1,NVJFZOFVUGRDQH-UHFFFAOYSA-N,3,1,0.394,62,139,429.465,3.084,5,0.456,0.75,0.999,0.2058803371941608,0.11260365979028168,0.2364214241655815,0.13741347405935164,0.1730797238023439
EOS-3-05932,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccc5Cl)cn4)n23)cn1,QLLWZWMPVNQZTO-UHFFFAOYSA-N,3,1,0.365,96,204,459.872,4.067,5,0.435,0.81,0.999,0.2983602905900898,0.3762250702487835,0.6659413336988554,0.6857480638749914,0.50656868960318
EOS-3-05933,Cn1nc(-c2cncc3nnc(-c4ccc(Br)cc4C#N)n23)nc1C(F)F,PAJBCLNINSFZGJ-UHFFFAOYSA-N,3,1,0.348,68,542,431.204,3.159,4,0.495,0.7,0.541,0.17215235419093963,0.3323881159618943,0.5088153656363512,0.560037009115208,0.3933482112260983
EOS-3-05934,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,WXMWVWYHZNJZHU-UHFFFAOYSA-N,3,1,0.324,52,341,464.489,3.211,6,0.407,0.8,1.0,0.2658916455349188,0.06619662805839216,0.24365190871084916,0.22404221780549655,0.19994560002741418
EOS-3-05935,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cccnn5)cn4)n23)nc1,BESKTJLOAWQZRV-UHFFFAOYSA-N,3,1,0.34,33,647,450.466,1.916,6,0.411,0.7,1.0,0.0682869577136591,0.039579192653005274,0.02177712288396957,0.0319631964909876,0.04040161743540538
EOS-3-05936,c1cnc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)cn5)n34)n2)nc1,FOCSYIHAIVUJFE-UHFFFAOYSA-N,3,1,0.274,86,557,430.435,3.162,6,0.415,0.77,1.0,0.10443938043999726,0.08714275923514496,0.15848810910835445,0.18424885203207456,0.1335797752038928
EOS-3-05937,Cc1ccc(C)c(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,PYVCFPDWRQKNKM-UHFFFAOYSA-N,3,1,0.506,0,536,413.481,3.879,5,0.519,0.91,1.0,0.5346789116578713,0.20173394558289356,0.357463504900281,0.31430333767390856,0.3520449249537386
EOS-3-05938,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)c(F)c5)no4)n23)cc1,KLGVYRJDVGJUMT-UHFFFAOYSA-N,3,1,0.39,62,837,474.843,3.554,5,0.382,0.93,1.0,0.37791275443766703,0.4762953190322802,0.5886762387773284,0.597637242135563,0.5101303885957097
EOS-3-05939,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nc1,QRVYIAJBSLAEMW-UHFFFAOYSA-N,3,1,0.326,70,899,433.439,2.501,6,0.412,0.75,1.0,0.1119354396545816,0.08715132615996161,0.11383729696388184,0.1443526831608526,0.11431918648481941
EOS-3-05940,Cc1cc(-c2nnc3cncc(CCc4ccc(-c5cncnn5)nc4)n23)ccc1C(N)=O,XRUXFSNEMKBMRT-UHFFFAOYSA-N,3,1,0.366,85,580,437.467,2.231,5,0.427,0.74,0.946,0.10690665478719759,0.01184805702145158,0.14311904598725242,0.09964190254266328,0.09037891508464121
EOS-3-05941,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nccc(-c5ncccn5)n4)n23)cc1,SRNOJDXFWRHDAG-UHFFFAOYSA-N,3,1,0.427,89,770,465.477,2.51,6,0.385,0.82,1.0,0.4384209444177918,0.15122335686382016,0.038097114659721744,0.040932766774038794,0.16716854567884312
EOS-3-05942,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cnccn5)nc4)n23)cc1,FMCYCHKDLMAZOM-UHFFFAOYSA-N,3,1,0.422,14,580,422.452,2.527,5,0.446,0.79,1.0,0.15879651840175452,0.03958775957782194,0.2221060927969296,0.15998732095127133,0.14511942293194435
EOS-3-05943,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccn5)cc4)n23)cc1,QTOXBPTWCJUGHG-UHFFFAOYSA-N,3,1,0.477,62,302,448.486,4.538,6,0.41,0.88,1.0,0.5798608731409773,0.282494345829621,0.38398670413268454,0.409584675484888,0.4139816496470427
EOS-3-05944,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cc1F,FFWLNVUDJAFWGG-UHFFFAOYSA-N,3,1,0.295,3,289,441.405,3.707,6,0.448,0.74,1.0,0.0722277431293263,0.2825029127544377,0.6797169488040573,0.7295421835377973,0.44099744705640465
EOS-3-05945,Cc1cccc(-c2ncnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)c1,UWZPVCOZVKREGC-UHFFFAOYSA-N,3,1,0.436,89,205,439.439,2.025,5,0.419,0.73,1.0,0.4962219861558495,0.22647522445343019,0.07046295661709273,0.040941333698855456,0.20852537523130696
EOS-3-05946,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)cc2)nc1,QDDQNXJYPSDTOR-UHFFFAOYSA-N,3,1,0.317,8,927,437.402,2.425,6,0.409,0.74,1.0,0.060936536220958126,0.1628743746144884,0.14604893427455282,0.23310602426153107,0.1507414673428826
EOS-3-05948,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccncn6)cc5)n34)nc2)cn1,LYSHZEBMPMHRJO-UHFFFAOYSA-N,3,1,0.289,42,106,432.451,3.106,6,0.418,0.77,1.0,0.09696045507504626,0.04316016722637242,0.327547803440477,0.29527619765608937,0.19073615584949627
EOS-3-05949,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nc1,NMFADIWECGUNQA-UHFFFAOYSA-N,3,1,0.337,70,687,432.451,3.106,6,0.418,0.77,0.999,0.07830169282434378,0.033522376807621136,0.1711157562881228,0.1816616407374409,0.11615036666438215
EOS-3-05950,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cncnn5)nc4)n23)cc1,SEGUBUMFNKGZOQ-UHFFFAOYSA-N,3,1,0.369,52,916,463.505,2.716,6,0.391,0.81,1.0,0.15079501062298678,0.02303646083201974,0.07488348982249332,0.09965046946747995,0.08709135768624494
EOS-3-05951,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cnc(-c5cccnn5)nc4)n23)cc1,PISPOLINBIMDMZ-UHFFFAOYSA-N,3,1,0.384,52,916,463.505,2.716,6,0.391,0.81,1.0,0.18638201631142484,0.05057912411760675,0.0367778082379549,0.0554879720375574,0.08230673017613598
EOS-3-05952,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnn(-c5cccc(F)c5)c4)n23)cc1F,SQGOFRWNCSMVNG-UHFFFAOYSA-N,3,1,0.479,43,788,461.432,3.194,5,0.417,0.81,1.0,0.43842951134260844,0.3278219450346104,0.6823898293468577,0.6034284833116305,0.5130174422589268
EOS-3-05953,O=C(c1ccc(-c2nnc3cncc(OCCc4cc(F)ncc4F)n23)cc1)N1CCOCC1,JBXRHGJICVBUHD-UHFFFAOYSA-N,3,1,0.767,0,751,466.448,2.558,5,0.403,0.82,1.0,0.3410407100267288,0.033530943732437805,0.0682869577136591,0.15729730655883764,0.15003897950791584
EOS-3-05954,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nnnn5C)cc4F)n23)c1,ZOXALTQWFSMPEW-UHFFFAOYSA-N,3,1,0.326,25,745,453.445,2.583,6,0.4,0.75,1.0,0.17487663628264,0.29812898362003976,0.19069974641902543,0.25053971626345006,0.2285612706462888
EOS-3-05955,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)nn4)n23)cn1,MESVSWGVSLNZFA-UHFFFAOYSA-N,3,1,0.294,82,974,452.438,2.118,6,0.406,0.78,1.0,0.2631930642176684,0.10952813378109794,0.019189911589335893,0.017896305942019054,0.10245185388253034
EOS-3-05957,Clc1ccc(CCOc2cncc3nnc(-c4cnc(-c5cncnc5)nc4)n23)cc1,JOZOVPGLULNKKU-UHFFFAOYSA-N,3,1,0.699,65,215,430.859,3.313,5,0.404,0.78,1.0,0.8138664245082585,0.8452556370365294,0.4310191213761908,0.4756442327462134,0.641446353916798
EOS-3-05958,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1F,ZKDRFADPENUKCJ-UHFFFAOYSA-N,3,1,0.542,23,17,413.359,3.147,4,0.544,0.85,1.0,0.9169693646768556,0.6887122198615585,0.9031766157220205,0.8561527654033309,0.8412527414159414
EOS-3-05959,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)cn1)N1CCOCC1,MRMXVMKSCFGSMI-UHFFFAOYSA-N,3,1,0.394,82,229,469.53,3.449,6,0.398,0.83,0.998,0.011085600712768144,0.001353574121033514,0.008344184771434445,0.03416489616887122,0.013737063943526832
EOS-3-05960,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1)N1CC(F)C1,VLFORSGHXCQNPE-UHFFFAOYSA-N,3,1,0.33,52,821,451.465,3.709,6,0.414,0.81,0.923,0.2525358097457337,0.20174251250771022,0.17778939072030703,0.30803234870810775,0.23502501542046467
EOS-3-05961,COc1cc(-c2cccc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)ccn1,WLVRZIGGJBBRSP-UHFFFAOYSA-N,3,1,0.362,14,290,438.451,2.342,5,0.427,0.72,1.0,0.21160304297169488,0.11261222671509835,0.15526694537728736,0.08259372215749435,0.14051898430539375
EOS-3-05962,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,QEJVMPXPPMNHAD-UHFFFAOYSA-N,3,1,0.354,63,66,414.429,1.5,5,0.507,0.82,1.0,0.17784935919402373,0.05432287026249057,0.018247549859502433,0.011976560893701596,0.06559908505242958
EOS-3-05963,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)n5C)n34)cn2)cn1,AQJBHFMEWLRWNN-UHFFFAOYSA-N,3,1,0.316,8,754,435.455,2.444,6,0.414,0.74,1.0,0.02158008361318621,0.033539510657254475,0.0704715235419094,0.08089747104379412,0.051622147214036046
EOS-3-05964,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncco5)cn4)n23)cc1,CUKLJVBFNJSEDF-UHFFFAOYSA-N,3,1,0.552,89,731,427.424,2.78,5,0.439,0.75,1.0,0.4407597148927421,0.24166438215338223,0.287523130697005,0.14686279213213624,0.2792025049688164
EOS-3-05965,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncccc4-c4cccnc4)n23)cc1,SPNYGHQXGXHSDC-UHFFFAOYSA-N,3,1,0.511,89,731,437.463,3.187,5,0.435,0.74,1.0,0.452624905763827,0.22648379137824687,0.3986618463436365,0.2659087793845521,0.3359198307175656
EOS-3-05966,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C5CC5)nc4)n23)cc1F,PYGCBNMZFXIELP-UHFFFAOYSA-N,3,1,0.321,0,688,414.444,3.762,6,0.537,0.85,1.0,0.2363443218422315,0.25174765266260024,0.1873757795901583,0.3717274347200329,0.26179879720375576
EOS-3-05967,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5cccc(F)c5)n4)n23)cn1,FIUQQBPVFTZDKR-UHFFFAOYSA-N,3,1,0.36,82,336,427.403,2.204,5,0.463,0.69,0.709,0.19759612089644302,0.21599787540264548,0.16482763347268864,0.18167020766225755,0.19002295935850866
EOS-3-05968,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)nc1,YPPMSBDIKPZLEL-UHFFFAOYSA-N,3,1,0.426,68,457,428.815,1.75,4,0.461,0.67,1.0,0.42939997258584056,0.2877116030429717,0.10850866972791447,0.09965903639229662,0.23131982043725585
EOS-3-05969,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cn4)n23)nc1,DACSNOQUFZCYHP-UHFFFAOYSA-N,3,1,0.321,32,572,449.453,3.85,6,0.403,0.81,0.973,0.16421938181070522,0.2671167157837023,0.4671287094784456,0.5139298197519019,0.3530986567061888
EOS-3-05970,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)nc1,NVOMFCCNMDHCGN-UHFFFAOYSA-N,3,1,0.362,66,505,456.432,3.114,4,0.502,0.66,0.844,0.1561065040093208,0.1879668974025084,0.6340552395312179,0.295284764580906,0.3183533513809883
EOS-3-05971,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5conn5)c4)n23)cc1,LIJVRDJXJOZOJI-UHFFFAOYSA-N,3,1,0.462,89,398,454.45,2.708,6,0.394,0.81,1.0,0.34104927695154547,0.09953909944486328,0.12531697621821672,0.13073983962716743,0.17416129806044822
EOS-3-05972,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5cocn5)c4)n23)c(F)n1,XRLHZLRGTGBQBJ-UHFFFAOYSA-N,3,1,0.317,82,514,442.414,2.935,6,0.412,0.74,0.955,0.2307586868617641,0.1836063326708245,0.12275546569803303,0.18976595161400864,0.18172160921115757
EOS-3-05973,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5Cl)n34)nc2)nn1,OTMNFYPMUOCBSR-UHFFFAOYSA-N,3,1,0.381,50,918,432.835,1.796,5,0.452,0.68,1.0,0.06620519498320883,0.17954561030772395,0.13097971352203414,0.14436125008566925,0.13027294222465904
EOS-3-05974,COc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nn1,FHOWURJBCAGLHW-UHFFFAOYSA-N,3,1,0.298,10,957,447.462,3.505,6,0.395,0.81,1.0,0.016834007264752246,0.017253786580768968,0.33863340415324517,0.31431190459872527,0.1717582756493729
EOS-3-05975,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncc(=O)n5C)cn4)n23)cc1F,DLWJXWRXEAXCLY-UHFFFAOYSA-N,3,1,0.326,74,736,457.429,1.508,5,0.429,0.73,1.0,0.3685748063874991,0.2931430333767391,0.20113426084572683,0.159995887876088,0.25571199712151327
EOS-3-05976,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cn2)c1,NWLDMFLIWDAYNV-UHFFFAOYSA-N,3,1,0.326,10,151,436.414,3.03,6,0.414,0.75,1.0,0.0029812898362003974,0.14002638612843535,0.45319888972654376,0.517125282708519,0.27833296209992464
EOS-3-05977,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)s4)n23)cn1,XUXKFEYWXUYZJY-UHFFFAOYSA-N,3,1,0.349,82,514,431.456,3.476,5,0.468,0.71,0.99,0.24994859845109998,0.2722483037488863,0.35001028030978,0.32027448427112604,0.29812041669522304
EOS-3-05978,CCOc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cn(C)nc3CC)n12,WZNFEPPTMXHSSS-UHFFFAOYSA-N,3,1,0.297,63,66,432.488,2.44,5,0.477,0.75,0.738,0.08971283668014529,0.04316873415118909,0.0051658556644506885,0.0025786443698170105,0.03515651771640052
EOS-3-05979,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnn(-c5ncc(Cl)cn5)c4)n23)cc1,ZGUJOLQAKQXTJR-UHFFFAOYSA-N,3,1,0.494,89,731,461.873,2.359,5,0.408,0.79,1.0,0.45710540744294426,0.37130765540401617,0.18079638133095743,0.1286495099719005,0.2844647385374546
EOS-3-05980,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)nc2)c1,SXTGMSHROWITLQ-UHFFFAOYSA-N,3,1,0.314,30,158,435.426,3.635,6,0.417,0.8,1.0,0.008352751696251114,0.15899355767253787,0.3239325611678432,0.4695274484271126,0.2402015797409362
EOS-3-05981,CCOc1ccc(Oc2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)nc1,LTFOADOCSYRKDW-UHFFFAOYSA-N,3,1,0.392,62,139,453.462,3.538,5,0.396,0.87,1.0,0.36388013158796517,0.16288294153930505,0.4388407237338085,0.23601877869919813,0.3004056438900692
EOS-3-05982,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(-c5ncccn5)ccc4F)n23)cc1,FNDXVYJCVOHLFJ-UHFFFAOYSA-N,3,1,0.325,25,508,450.441,3.245,6,0.402,0.79,1.0,0.23635288876704819,0.3521091768898636,0.32394112809265985,0.38430368035090123,0.3241767185251182
EOS-3-05983,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncn(-c5cnccn5)n4)n23)nc1,HDWRTXPEOSJIGJ-UHFFFAOYSA-N,3,1,0.356,33,53,455.442,1.028,6,0.377,0.77,1.0,0.07414673428825988,0.05058769104242341,0.007556027688301007,0.006776437529984237,0.03476672263724214
EOS-3-05984,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1,SQUPYJPHQQHRDY-UHFFFAOYSA-N,3,1,0.343,9,98,431.463,3.711,6,0.419,0.81,1.0,0.09206017407991228,0.04696388184497293,0.47054691248029606,0.4633164279350284,0.2682218490850524
EOS-3-05985,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)cn1,QNTFCQBAWVMHHU-UHFFFAOYSA-N,3,1,0.319,42,945,431.463,3.711,6,0.419,0.81,1.0,0.060945103145774795,0.03959632650263861,0.35001884723459664,0.3586114728257145,0.20229293742718113
EOS-3-05986,Cc1nnc(-c2cncc(OCc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)s1,UABWOVQDAIKRGL-UHFFFAOYSA-N,3,1,0.39,14,357,444.48,2.691,5,0.422,0.73,1.0,0.35239188540881367,0.1471712014255363,0.12804982523473374,0.07352134877664314,0.1752835652114317
EOS-3-05987,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5)cn4)n23)cc1,WGJVWCMPFUIRMF-UHFFFAOYSA-N,3,1,0.494,89,637,463.501,3.72,6,0.392,0.86,1.0,0.43843807826742515,0.1795541772325406,0.19425502021794258,0.2240507847303132,0.25907451511205537
EOS-3-05988,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,FRVWYMWZFRPKCR-UHFFFAOYSA-N,3,1,0.33,63,66,415.457,2.368,5,0.514,0.9,0.997,0.20053457610856007,0.140034953053252,0.1711243232129395,0.10174936604756357,0.15336080460557877
EOS-3-05989,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C(C)(C)C)cc4)n23)cc1F,XNYRNKZTADTRHW-UHFFFAOYSA-N,3,1,0.333,61,269,470.512,3.971,5,0.426,0.9,1.0,0.21406175039407854,0.18361489959564115,0.35382256185319716,0.18686176410115826,0.2345902439860188
EOS-3-05990,NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C(F)F)c4-c4ccccn4)n23)cn1,MTGCIXAZISIVKB-UHFFFAOYSA-N,3,1,0.343,50,243,433.382,2.606,5,0.451,0.69,0.993,0.11765814543211568,0.1667808923308889,0.280044205332054,0.23903433623466522,0.20087939483243095
EOS-3-05991,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cc(F)nc(Cl)c5)n4)n23)cc1,ZDIMPMOWIBRUNE-UHFFFAOYSA-N,3,1,0.373,29,849,461.848,2.857,5,0.405,0.75,1.0,0.27361901171955316,0.2416729490781989,0.32755637036529367,0.3080409156329244,0.28772231169899254
EOS-3-05992,Cc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)c2)ncn1,BUOULLOYNWDVKT-UHFFFAOYSA-N,3,1,0.333,62,124,453.481,3.923,5,0.418,0.79,1.0,0.15080357754780344,0.05837502570077445,0.4565656911794942,0.35862003975053114,0.2560910835446508
EOS-3-05993,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cn1,UWWHMZHZNJVZCZ-UHFFFAOYSA-N,3,1,0.298,86,812,433.439,2.501,6,0.412,0.76,1.0,0.10188643684463025,0.036529367418271536,0.07489205674730999,0.07920978685491056,0.07312941196628059
EOS-3-05994,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4cccnc4)n23)c1,WKJALZGXFCMRHM-UHFFFAOYSA-N,3,1,0.308,94,213,433.439,2.501,6,0.412,0.76,1.0,0.07223631005414297,0.03960489342745528,0.11104447947364814,0.1573058734836543,0.09504788910972517
EOS-3-05996,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)cn1,VHSIOQGZBBWATA-UHFFFAOYSA-N,3,1,0.405,66,455,413.363,2.551,4,0.552,0.8,1.0,0.25765026386128437,0.33730553080666165,0.815322801727092,0.6303885957096841,0.5101667980261806
EOS-3-05997,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)nc2)cn1,LSPFDRBDBPPNAZ-UHFFFAOYSA-N,3,1,0.366,85,290,423.44,2.036,5,0.453,0.71,1.0,0.08476972106092796,0.03961346035227195,0.10055856349804675,0.05990850524295799,0.07121256253855116
EOS-3-05998,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)cc1,DLKASKRTCMWLQO-UHFFFAOYSA-N,3,1,0.54,89,398,442.439,2.565,5,0.404,0.75,1.0,0.4812898362003975,0.11543074497978206,0.16483620039750532,0.07739359879377698,0.20973759509286546
EOS-3-05999,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)cn2)cc1,SWHRKVYSXVMHIW-UHFFFAOYSA-N,3,1,0.333,10,927,437.402,2.425,6,0.409,0.75,1.0,0.018675896100335824,0.17537351792200673,0.14605750119936947,0.24765266260023303,0.14693989445548625
EOS-3-06000,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(Cl)ccc5F)nn4)n23)cc1,VQDLUZNALAJBES-UHFFFAOYSA-N,3,1,0.343,74,997,474.887,3.724,6,0.416,0.86,1.0,0.08972140360496196,0.2773284901651703,0.3685405386882325,0.5440939620313893,0.3199210986224385
EOS-3-06001,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)nc4)n23)c1,ZFCNGAXAQCFRKC-UHFFFAOYSA-N,3,1,0.31,39,972,437.402,2.63,6,0.441,0.69,0.99,0.23636145569186484,0.27733705708998696,0.2011428277705435,0.30150435199780684,0.25408642313755053
EOS-3-06002,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccs5)n4)n23)cc1F,VNTWELNXJCYYDV-UHFFFAOYSA-N,3,1,0.527,24,268,460.494,3.993,5,0.412,0.88,1.0,0.579869440065794,0.48481940922486466,0.4844253306832979,0.3813052566650675,0.482604859159756
EOS-3-06003,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cc1,FXZSJXMCMWOOSQ-UHFFFAOYSA-N,3,1,0.379,74,295,442.418,1.669,6,0.435,0.69,1.0,0.01868446302515249,0.07346994722774312,0.2875316976218217,0.2505482831882667,0.157558597765746
EOS-3-06004,NC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(F)cn5)n4)n23)c(Cl)c1,CHMPBVIGKNIHQD-UHFFFAOYSA-N,3,1,0.37,96,155,446.833,3.202,5,0.449,0.69,0.961,0.26590021245973544,0.3373140977314783,0.477306216160647,0.5203550133644027,0.4002188849290659
EOS-3-06005,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cn2)cn1,AWGKJJIZOGWXTO-UHFFFAOYSA-N,3,1,0.263,86,967,432.451,3.106,6,0.418,0.76,1.0,0.06280412583099171,0.020817627304502775,0.21501267904872867,0.22405935165512988,0.13067344595983826
EOS-3-06006,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccncc4)n23)cc1,QYUWSIQFCYKKSQ-UHFFFAOYSA-N,3,1,0.32,25,213,432.451,3.106,6,0.418,0.76,1.0,0.09451031457747927,0.06620519498320883,0.187384346514975,0.24189568912343226,0.14749888629977384
EOS-3-06007,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)nc2)n1C,IORHOWHMBXNBPU-UHFFFAOYSA-N,3,1,0.307,98,866,450.47,2.148,6,0.396,0.74,1.0,0.10444794736481393,0.08715989308477828,0.02595778219450346,0.026206223014186826,0.060942961414570625
EOS-3-06008,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5c(F)cccc5F)c4)n23)cc1,IPICWBRMJCBWLF-UHFFFAOYSA-N,3,1,0.369,62,246,457.444,3.814,6,0.434,0.75,1.0,0.07615996162017682,0.21115756288122817,0.5088239325611679,0.6098279761496813,0.3514923583030636
EOS-3-06009,Cc1cc(-c2ccncc2)c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)nn1,ZBYKPMKXOQIDGO-UHFFFAOYSA-N,3,1,0.29,52,517,448.49,3.511,6,0.438,0.75,1.0,0.07224487697895964,0.013004591871701734,0.1227640326228497,0.1733260228908231,0.09533488109108354
EOS-3-06010,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)cc2)n1,YYDBIXCEIDCMRV-UHFFFAOYSA-N,3,1,0.3,25,581,433.439,2.501,6,0.412,0.74,1.0,0.0662137619080255,0.023045027756836405,0.06425193612500857,0.11292063600849839,0.06660784044959221
EOS-3-06011,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnn(C)c6)nn5)n34)cc2)n1,YEEQWFRVHPJFAR-UHFFFAOYSA-N,3,1,0.286,98,882,436.443,1.933,6,0.407,0.75,1.0,0.0021245973545336166,0.0065279967103008705,0.07916695223082722,0.06963196490987596,0.039362877801384415
EOS-3-06012,COc1cnc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ccc(C)nn5)c4)n23)nc1,MMQAEBADZJABGN-UHFFFAOYSA-N,3,1,0.345,22,261,430.859,3.676,5,0.425,0.79,1.0,0.45024330066479334,0.4894883832499486,0.3911829209786855,0.39100301555753547,0.43047940511274074
EOS-3-06014,Fc1cc(-c2nnc3cncc(COc4cccc(F)c4F)n23)ccc1-c1cncnn1,ZZWMSFRSYXNRRA-UHFFFAOYSA-N,3,1,0.414,45,189,435.369,3.64,5,0.416,0.78,1.0,0.7575474607634843,0.7453138921252828,0.9043160167226373,0.8974196422452196,0.8261492529641561
EOS-3-06015,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)cc1,NRSOQPWNHAJARK-UHFFFAOYSA-N,3,1,0.373,62,341,468.908,3.856,6,0.417,0.83,1.0,0.23902576930984853,0.24168151600301555,0.37649921184291685,0.4968987732163663,0.3385263175930368
EOS-3-06016,CCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)N5CCC(F)(F)C5)cc4F)n23)cn1,VPYAOXDTTWZGFK-UHFFFAOYSA-N,3,1,0.381,78,345,467.455,3.355,5,0.447,0.75,0.979,0.15611507093413748,0.2017510794325269,0.12277259954766637,0.2596206565691179,0.18506485162086217
EOS-3-06017,Cc1nc(-c2ccc(F)cn2)ccc1-c1nnc2cncc(-c3ccc(C(=O)NC4CC4)nc3)n12,MZBFIUXAVSZWDM-UHFFFAOYSA-N,3,1,0.308,52,582,466.48,3.65,6,0.421,0.79,0.997,0.27119457199643615,0.24169008292783223,0.14933863340415324,0.20682269892399424,0.21726149681310397
EOS-3-06018,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ncc(Cl)cc5F)n4)n23)cc1,POQYFWKBEMBWFR-UHFFFAOYSA-N,3,1,0.353,74,333,461.848,2.857,5,0.433,0.72,1.0,0.29836885751490644,0.3080923171818244,0.3055479405112741,0.3363117675279282,0.3120802206839833
EOS-3-06019,Cn1ccnc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c(F)c1,JXVYKRWHFGAUNO-UHFFFAOYSA-N,3,1,0.258,98,213,453.445,2.583,6,0.4,0.76,1.0,0.1642279487355219,0.2467788362689329,0.1309882804468508,0.17043896922760607,0.1781085086697279
EOS-3-06020,COc1nc(C(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NCCO)cc3)n12,DBTYXWKFWDFCOG-UHFFFAOYSA-N,3,1,0.344,0,999,440.41,2.522,4,0.454,0.75,1.0,0.3979422246590364,0.14717976835035296,0.5563789322184909,0.32655404016174355,0.35701374134740593
EOS-3-06021,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)cnn4)n23)cc1,FNBCKXGWODZSSF-UHFFFAOYSA-N,3,1,0.464,89,731,457.429,2.116,5,0.407,0.74,1.0,0.555008224247824,0.3616612980604482,0.22553286272359674,0.14191110958810224,0.3210283736549928
EOS-3-06022,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnc(F)cn5)n4)n23)cc1,PKKXLSAPYRPEAZ-UHFFFAOYSA-N,3,1,0.446,89,731,457.429,2.116,5,0.407,0.74,1.0,0.6455691864848194,0.40471866218902064,0.19769892399424302,0.11760674388321568,0.34139837913782467
EOS-3-06023,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)c(F)c1,IQOVKHZLDVAAHH-UHFFFAOYSA-N,3,1,0.337,62,341,469.455,4.086,6,0.39,0.89,0.995,0.21694880405729558,0.29315160030155574,0.5791412514563772,0.6479593585086697,0.43430025358097457
EOS-3-06024,Cc1ccc(Cl)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cc2)c1,XIXVUMRYDIMBIC-UHFFFAOYSA-N,3,1,0.361,62,3,440.894,4.581,5,0.441,0.85,1.0,0.20588890411897745,0.2619251593448016,0.7086560208347612,0.735119251593448,0.47789733397299705
EOS-3-06025,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)cn1,JKJKHTAABQLUSC-UHFFFAOYSA-N,3,1,0.495,7,408,439.439,2.025,5,0.419,0.72,1.0,0.42004489068603934,0.1291292577616339,0.14312761291206907,0.0715081214447262,0.19095247070111712
EOS-3-06026,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cc4F)n23)cc1,MNKQLHUXRYSMNA-UHFFFAOYSA-N,3,1,0.369,62,3,442.429,4.158,5,0.423,0.81,1.0,0.3084949626482078,0.3231615379343431,0.8587228428483311,0.8073983962716743,0.5744444349256391
EOS-3-06027,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cc4F)n23)cn1,CWHBPCQVZMDFEW-UHFFFAOYSA-N,3,1,0.356,96,46,447.38,3.432,5,0.423,0.74,0.971,0.30850352957302446,0.38094544582276746,0.82435234048386,0.8181498869165924,0.5829878006990611
EOS-3-06028,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5)nc4)n23)cc1,JLFWPPLQAPBIKI-UHFFFAOYSA-N,3,1,0.388,62,3,456.456,4.359,5,0.41,0.85,1.0,0.23637002261668152,0.2517562195874169,0.7113460352271949,0.6829723802343911,0.47061116441642104
EOS-3-06029,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cc1,FLGDRCFWVPGLBY-UHFFFAOYSA-N,3,1,0.527,89,817,442.414,2.46,5,0.424,0.73,0.999,0.6199026797340826,0.31324960592145845,0.42745528065245697,0.3232900418065931,0.42097440202864783
EOS-3-06030,CCc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,LVXYMYQTKWSBPG-UHFFFAOYSA-N,3,1,0.489,63,66,449.902,3.268,5,0.461,0.7,1.0,0.4548865739154273,0.39028339387293537,0.04097560139812213,0.08430710712082791,0.24261316907682817
EOS-3-06031,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnsc5)cn4)n23)cc1,FACNXJTWVOLEOY-UHFFFAOYSA-N,3,1,0.402,14,357,427.493,3.26,5,0.462,0.7,1.0,0.13928106366938522,0.06215303954492495,0.3275649372901103,0.23024467137276403,0.18981092796929613
EOS-3-06032,NC(=O)c1ccc(-c2nnc3cncc(-c4cnncc4-c4ccc(F)c(F)c4)n23)cc1F,WZDLCSIBFQIKMF-UHFFFAOYSA-N,3,1,0.4,45,648,447.38,3.432,5,0.452,0.7,1.0,0.3033548077582071,0.394935234048386,0.8952093756425193,0.8933589198821191,0.6217145843328079
EOS-3-06033,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnccn5)n4)n23)cc1,JBLKCHXPXKMQBI-UHFFFAOYSA-N,3,1,0.438,14,357,456.897,3.247,5,0.432,0.73,1.0,0.20881022548146116,0.2314012062230142,0.3239496950174765,0.28937358645740524,0.2633836782948393
EOS-3-06034,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)nn4C)n23)cn1,JLOORCODORWVER-UHFFFAOYSA-N,3,1,0.342,98,979,435.455,2.444,6,0.414,0.75,0.999,0.09451888150229594,0.07690528407922692,0.02596634911932013,0.030918031663354124,0.05707713659104928
EOS-3-06035,Cc1nc(COc2cncc3nnc(-c4cccc(-c5cc(=O)n(C)cn5)c4)n23)cs1,DORRWAYCXUZPIF-UHFFFAOYSA-N,3,1,0.494,4,506,431.481,2.896,5,0.422,0.83,1.0,0.2761376876156535,0.15900212459735452,0.17113289013775615,0.12659344801590022,0.1832165375916661
EOS-3-06036,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ccc4Cl)n23)cn1,CZSVDKPNXYXWNI-UHFFFAOYSA-N,3,1,0.5,36,728,433.863,2.918,5,0.416,0.79,1.0,0.5063138235898842,0.7312984031252142,0.2910441367966555,0.32329860873140975,0.4629887430607909
EOS-3-06038,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1,HMEYJJSRRFEHJF-UHFFFAOYSA-N,3,1,0.319,38,179,431.463,3.711,6,0.419,0.8,1.0,0.04605578781440614,0.030404016174354054,0.31279555890617505,0.3265626070865602,0.17895449249537387
EOS-3-06039,Cn1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)cn1,DRJRAADGPPHKJI-UHFFFAOYSA-N,3,1,0.3,98,642,434.467,3.049,6,0.42,0.74,1.0,0.034499006236721266,0.027628332533753682,0.22931087656774723,0.21845658282502914,0.12747369954081283
EOS-3-06040,O=C(O)c1ccc(-c2nnc3cncc(C(F)c4ccc(Br)cc4)n23)cc1F,RDZGFOMDTUIJPU-UHFFFAOYSA-N,3,1,0.446,23,225,445.223,4.45,4,0.502,0.74,1.0,0.40647488177643754,0.27225687067370297,0.9685593859228291,0.9487783565211432,0.6490173737235282
EOS-3-06041,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccnn5)c4)n23)cc1,PVLHNFNAZXTJKI-UHFFFAOYSA-N,3,1,0.494,89,571,439.439,1.977,5,0.421,0.71,1.0,0.6199112466588993,0.21116612980604482,0.19426358714275924,0.10813172503598109,0.2833681721609211
EOS-3-06042,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cnc(C)nn5)nc4)n23)cc1F,AULZTESVEUAGRR-UHFFFAOYSA-N,3,1,0.375,85,413,456.445,1.831,5,0.42,0.7,1.0,0.21975018847234595,0.21600644232746213,0.10056713042286342,0.07151668836954286,0.15196011239805357
EOS-3-06043,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)c4)n23)c(F)c1,VEJDFVGVQITFLA-UHFFFAOYSA-N,3,1,0.448,97,656,455.453,3.326,5,0.418,0.78,1.0,0.6339438695086012,0.4542611884038106,0.5791498183811938,0.45068021383044343,0.5295087725310123
EOS-3-06044,NC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccc(F)cc4F)n23)s1,YMAQCWUVPKCYGX-UHFFFAOYSA-N,3,1,0.34,39,961,435.419,3.354,5,0.463,0.72,0.668,0.18947467617024194,0.19685079843739292,0.36115584949626484,0.4378640943047084,0.296336354602152
EOS-3-06045,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)nn1,HIEQWSLQRAFNPH-UHFFFAOYSA-N,3,1,0.643,91,742,427.443,3.712,5,0.408,0.82,1.0,0.857335001028031,0.8418031663354122,0.5326142827770544,0.5234391062984032,0.6887978891097252
EOS-3-06046,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cn4)n23)cc1,RFJDVJGYSNTIHV-UHFFFAOYSA-N,3,1,0.333,52,582,438.516,4.474,6,0.437,0.83,1.0,0.13677952162291823,0.07691385100404359,0.2578987046809677,0.32657117401137686,0.1995408128298266
EOS-3-06047,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3nc(-c4ccnc(Cl)c4)no3)n12,PMJFTXZIHQFLIY-UHFFFAOYSA-N,3,1,0.356,74,155,432.831,2.964,5,0.427,0.79,1.0,0.20054314303337675,0.24678740319374956,0.21502124597354533,0.2184651497498458,0.22020423548762935
EOS-3-06048,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3nnn(-c4cnn(C)c4)n3)n12,SJGBPWWPJQXSCN-UHFFFAOYSA-N,3,1,0.3,63,295,457.458,1.068,6,0.396,0.8,0.999,0.052292509080940304,0.03962202727708861,0.008772531012267836,0.005851209649784113,0.026634569255020217
EOS-3-06049,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cc4F)n23)cn1,PFONVYNEYHESCR-UHFFFAOYSA-N,3,1,0.362,85,290,441.43,2.128,5,0.44,0.67,1.0,0.23903433623466522,0.22116373106709616,0.30912891508464124,0.2536666438215338,0.2557484065519841
EOS-3-06050,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5ccc(F)nc5)n4)n23)cc1,NXBODXMVABXHLX-UHFFFAOYSA-N,3,1,0.457,89,731,456.441,2.721,5,0.387,0.77,1.0,0.6731889520937564,0.41416798026180524,0.35747207182509766,0.23904290315948187,0.4209679768350353
EOS-3-06051,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5ncc(F)cn5)cc4F)n23)cn1,FWTGJJNXERMVQB-UHFFFAOYSA-N,3,1,0.333,82,974,471.431,2.876,6,0.415,0.8,0.915,0.24995716537591667,0.26193372626961825,0.12532554314303337,0.21291378246864506,0.21253255431430335
EOS-3-06052,CN(C)Cc1cc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)cn4)n23)ccc1C(N)=O,JRSQHQBGMPELLM-UHFFFAOYSA-N,3,1,0.311,96,837,468.496,3.215,5,0.407,0.82,1.0,0.16423651566033856,0.17073881159618942,0.4274638475772737,0.3522719484613803,0.2786777808237955
EOS-3-06053,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ncn4)n23)cc1,KOAUTPCETXOXOX-UHFFFAOYSA-N,3,1,0.439,89,463,440.427,1.372,5,0.411,0.71,1.0,0.47130080186416284,0.20618017956274415,0.12533411006785006,0.05837502570077445,0.21529752929888285
EOS-3-06054,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)cc1,FIFXCRCBXHHSHM-UHFFFAOYSA-N,3,1,0.33,29,849,469.896,3.251,6,0.389,0.82,0.999,0.24727571790829964,0.23628435336851483,0.1110530463984648,0.19503461037625933,0.19741193201288465
EOS-3-06055,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)nn1,UJFJOWRENSQAIN-UHFFFAOYSA-N,3,1,0.314,25,508,446.478,3.414,6,0.405,0.78,1.0,0.08054622712631074,0.08040058940442739,0.22931944349256392,0.24471420738811597,0.1587451168528545
EOS-3-06056,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cccnc5)n4)n23)c(Cl)c1,LFJXPQRZBPNUOE-UHFFFAOYSA-N,3,1,0.418,14,357,455.909,3.852,5,0.432,0.74,1.0,0.17785792611884038,0.2619422931944349,0.4844338976081146,0.46332499485984513,0.34688977794530873
EOS-3-06057,Cc1cc(-c2noc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)n2)cc(Cl)n1,PZIFUTSJDOIYKV-UHFFFAOYSA-N,3,1,0.34,74,155,446.858,3.272,5,0.415,0.77,1.0,0.22531868960318005,0.23629292029333152,0.1942721540675759,0.1758875334110068,0.20794282434377356
EOS-3-06058,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)nc2)nn1,YZFNMLRSVWDTIY-UHFFFAOYSA-N,3,1,0.275,98,866,436.443,1.839,6,0.406,0.74,1.0,0.02725995476663697,0.03041258309917072,0.06026831608525804,0.06964053183469261,0.046895346446439584
EOS-3-06059,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)c1,SYVKKJNDKKOANK-UHFFFAOYSA-N,3,1,0.264,39,953,433.439,2.594,6,0.412,0.75,1.0,0.0029898567610170653,0.0024415735727503257,0.11384586388869851,0.14687135905695292,0.06653716331985471
EOS-3-06060,Cc1ncc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2F)cn1,KMXOOOAAYVKGTN-UHFFFAOYSA-N,3,1,0.359,62,341,465.492,4.255,6,0.417,0.87,1.0,0.23637858954149818,0.22649235830306352,0.47731478308546366,0.5037180453704339,0.3609759440751148
EOS-3-06061,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nn5)n4)n23)cc1,HNMPNMHRGDJKRA-UHFFFAOYSA-N,3,1,0.479,89,268,456.441,2.721,5,0.414,0.72,1.0,0.5771708587485436,0.36651874443149884,0.3350609965046947,0.22134363648824618,0.3750235590432458
EOS-3-06062,Cn1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2C)cn1,ZLDWGFBOYGKIBK-UHFFFAOYSA-N,3,1,0.312,8,474,434.467,3.049,6,0.42,0.78,0.998,0.03192036186690426,0.03354807758207114,0.0887790418751285,0.13295010622986772,0.0717993968884929
EOS-3-06063,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)cc1F,HYLAEUMFYCUEEW-UHFFFAOYSA-N,3,1,0.489,66,12,473.39,3.21,5,0.429,0.82,1.0,0.5215543828387362,0.5034524707011171,0.7270406414913303,0.6508121444726201,0.600714909875951
EOS-3-06064,N#Cc1ccc(-c2nnc3cncc(-c4cnn(Cc5cc(Cl)ccc5F)n4)n23)cc1,PBFVNIAJJLBXNU-UHFFFAOYSA-N,3,1,0.425,22,331,430.834,3.762,5,0.43,0.83,0.984,0.29559317387430606,0.5216143513124529,0.7904273182098553,0.8725241587279831,0.6200397505311493
EOS-3-06065,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c(Cl)c2)nc1,QFXXPNHONURJNK-UHFFFAOYSA-N,3,1,0.349,96,204,441.882,3.976,5,0.451,0.74,1.0,0.2058974710437941,0.23140977314783084,0.5293674182715372,0.5339764238229046,0.3751627715715167
EOS-3-06066,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)nc1,IPBOYRHQQRXSOP-UHFFFAOYSA-N,3,1,0.279,94,654,434.427,1.896,6,0.404,0.75,0.864,0.06095367007059146,0.033556644506887806,0.024869782742786648,0.04609862243848948,0.04136967993968885
EOS-3-06067,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(F)c5)n4)n23)cc1,SEYGFUHIBQXOOH-UHFFFAOYSA-N,3,1,0.333,98,973,439.418,2.369,6,0.411,0.72,1.0,0.027268521691453634,0.1922503598108423,0.1253426769926667,0.1897745185388253,0.13365901925844698
EOS-3-06068,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncc(F)c5)c4)n23)nc1,KSPVVNHQQSVXTH-UHFFFAOYSA-N,3,1,0.408,97,348,455.453,3.326,5,0.418,0.75,1.0,0.6283239668288672,0.3423428825988623,0.5695719964361593,0.47274004523336305,0.503244722774313
EOS-3-06069,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(F)cn2)cn1,YGTQBHAVPAWZSE-UHFFFAOYSA-N,3,1,0.516,89,731,456.441,2.769,5,0.412,0.75,1.0,0.6546929614145707,0.31842402851072577,0.43497704064149134,0.2952933315057227,0.42584684051812766
EOS-3-06070,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)s1,UDXOLAVKCLSLLE-UHFFFAOYSA-N,3,1,0.305,85,647,454.519,3.188,6,0.419,0.74,0.391,0.028407922692070455,0.006005414296484134,0.05093893495990679,0.07740216571859365,0.040688609416763756
EOS-3-06071,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(F)c1,QTNXWXYNFUWFPV-UHFFFAOYSA-N,3,1,0.34,10,39,438.43,2.974,6,0.417,0.76,1.0,0.027277088616270304,0.18362346652045783,0.2838222191762045,0.34252278802001235,0.20931139058323622
EOS-3-06072,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cn4)n23)nc1,PUQOPJPXTYQCDC-UHFFFAOYSA-N,3,1,0.333,10,654,451.429,2.64,6,0.398,0.75,1.0,0.08972997052977863,0.23141834007264753,0.1402748269481187,0.23905147008429853,0.17511865190871084
EOS-3-06073,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)nc1,JBFKNOUACSYUST-UHFFFAOYSA-N,3,1,0.305,52,776,452.453,3.342,6,0.407,0.8,1.0,0.19219039133712562,0.21117469673086148,0.2364299910903982,0.3111764101158248,0.2377428723185525
EOS-3-06074,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cc4Cl)n23)cc1F,RKLZEBOJBKDPBU-UHFFFAOYSA-N,3,1,0.33,74,768,461.848,2.857,5,0.433,0.7,1.0,0.29289459255705574,0.3081008841066411,0.5088324994859845,0.5101689397573846,0.40499922897676655
EOS-3-06075,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1,ZIOUNKGURPPLDS-UHFFFAOYSA-N,3,1,0.319,38,727,431.463,3.711,6,0.419,0.79,1.0,0.09696902199986293,0.05838359262559112,0.3166935096977589,0.32330717565622646,0.19883832499485984
EOS-3-06076,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccnn5)c4)n23)c(Cl)c1,RFYDCPDDNAWHQK-UHFFFAOYSA-N,3,1,0.343,52,738,468.908,3.856,6,0.417,0.81,1.0,0.15612363785895414,0.23142690699746418,0.3239582619422932,0.45705400589404427,0.29214070317318896
EOS-3-06077,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)on1,LOEVANZMIVMXOY-UHFFFAOYSA-N,3,1,0.306,25,213,436.439,3.007,6,0.41,0.81,1.0,0.09939346172297991,0.09954766636967995,0.12805839215955042,0.13499760126105134,0.11549928037831539
EOS-3-06078,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cc(F)cnn5)cn4)n23)cc1,TZGZKNXMYGFCQP-UHFFFAOYSA-N,3,1,0.388,52,916,467.468,2.66,6,0.404,0.75,1.0,0.1695822767459393,0.20175964635734356,0.11985127818518265,0.17044753615242272,0.16541018436022206
EOS-3-06079,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)nn5C)n34)cn2)cn1,MICKDDWXAXNNPJ-UHFFFAOYSA-N,3,1,0.338,98,979,434.467,3.049,6,0.42,0.75,1.0,0.0417294907819889,0.07347851415255979,0.10057569734768007,0.11527654033308203,0.0827650606538277
EOS-3-06080,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)cc1=O,VJHPMYNKRFWAFO-UHFFFAOYSA-N,3,1,0.298,9,98,447.462,3.004,6,0.441,0.73,1.0,0.24996573230073332,0.15522411075320403,0.4944057980947159,0.48165821396751424,0.3453134637790419
EOS-3-06081,Fc1cncc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1,QMPYBUMQXWOFNX-UHFFFAOYSA-N,3,1,0.294,3,289,435.426,3.635,6,0.417,0.76,1.0,0.049165581522856557,0.16678945925570557,0.4423188952093756,0.5037266122952505,0.290500137070797
EOS-3-06082,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnn5)n4)n23)cc1,XRCLEDYUFMFBBE-UHFFFAOYSA-N,3,1,0.455,89,707,440.427,1.372,5,0.411,0.72,1.0,0.4641045850181619,0.19225892673565897,0.07705092180111027,0.033111164416421084,0.19163139949283806
EOS-3-06083,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)nn1,ASJHDSOWGWRIEJ-UHFFFAOYSA-N,3,1,0.392,25,74,450.441,3.245,6,0.402,0.77,0.999,0.2223202659173463,0.4276180522239737,0.2838307861010212,0.4223408265369063,0.33902748269481187
EOS-3-06084,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(C)nn5)s4)n23)cc1,LGUOATJVBQJDPP-UHFFFAOYSA-N,3,1,0.365,74,333,428.481,3.04,5,0.468,0.71,1.0,0.14209958193406894,0.11870331025974916,0.10058426427249674,0.06139058323624152,0.10569443492563908
EOS-3-06085,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccnn5F)nc4)n23)nc1,FTRDJVMGLACMNM-UHFFFAOYSA-N,3,1,0.282,33,432,431.391,2.329,5,0.45,0.72,1.0,0.4064834487012542,0.27734562401480367,0.2615653485025015,0.14687992598176958,0.2730685868000823
EOS-3-06086,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ncn4)n23)cc1,YVDVETSINMQWBZ-UHFFFAOYSA-N,3,1,0.5,89,463,443.402,1.855,5,0.415,0.71,1.0,0.5575868686176411,0.3184325954355425,0.27646323075868684,0.18425741895689124,0.3341850284421904
EOS-3-06087,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)nc4)n23)cc1,UEYIARSBSQHXME-UHFFFAOYSA-N,3,1,0.516,55,863,443.402,1.855,5,0.415,0.71,1.0,0.7866493043657049,0.3473116989925296,0.22932801041738057,0.1519344116236036,0.3788058563498047
EOS-3-06088,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1)N1CC(F)(F)C1,HLECCQDYDNZPOS-UHFFFAOYSA-N,3,1,0.398,66,455,441.829,2.917,5,0.452,0.69,0.825,0.2472842848331163,0.4001010897128367,0.26503495305325203,0.4412908642313755,0.33842779795764516
EOS-3-06089,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)c(F)c4)n23)nc1,QOIULJWJHHJJAW-UHFFFAOYSA-N,3,1,0.522,63,683,470.867,3.632,5,0.414,0.79,1.0,0.5858063189637448,0.32317010485915976,0.5563874991433075,0.6479679254334864,0.5283329620999246
EOS-3-06090,Cn1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(Cl)c(C#N)c5)n34)cn2)cn1,WNVVICXFOKELQR-UHFFFAOYSA-N,3,1,0.378,85,81,426.871,3.703,5,0.434,0.82,1.0,0.22824001096566376,0.34235144952367896,0.7774741278870536,0.7757521759989034,0.530954441093825
EOS-3-06091,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccnc5)n4)n23)cc1,NTMJNBUWODRQIE-UHFFFAOYSA-N,3,1,0.315,8,136,433.439,2.501,6,0.412,0.73,1.0,0.11766671235693235,0.04697244876978959,0.09108354465081214,0.09561544787882942,0.08783453841409088
EOS-3-06092,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnnc5)nn4)n23)cc1,XAYCMEBOJRDRLI-UHFFFAOYSA-N,3,1,0.443,89,398,465.477,2.51,6,0.385,0.81,1.0,0.3524004523336303,0.12913782468645055,0.10317147556713042,0.10814029196079775,0.17321251113700228
EOS-3-06093,O=C(O)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(Cl)cc4)n23)cc1,KIFXSIQBXYLQEM-UHFFFAOYSA-N,3,1,0.417,3,574,429.827,3.662,5,0.459,0.78,1.0,0.23076725378658078,0.19226749366047563,0.49441436501953256,0.5267887739017202,0.3610594715920773
EOS-3-06094,Cc1noc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)n2)n1,FCNKZBFAKBAKAH-UHFFFAOYSA-N,3,1,0.484,7,408,430.384,2.217,5,0.421,0.77,1.0,0.36175553423343154,0.04698101569460626,0.07705948872592694,0.031971763415804266,0.12944195051744226
EOS-3-06095,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nn[nH]n5)cc4)n23)ccc1Cl,GHILLEUNLXEDNO-UHFFFAOYSA-N,3,1,0.632,43,499,422.811,3.343,5,0.462,0.79,1.0,0.9454972243163594,0.9268641628401069,0.7611370022616681,0.7921321362483723,0.8564076314166267
EOS-3-06096,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)nc1,UGTNFJIAWDHKJZ-UHFFFAOYSA-N,3,1,0.259,98,213,435.455,2.444,6,0.414,0.74,1.0,0.0702830511959427,0.05433143718730724,0.09109211157562881,0.09966760331711329,0.078843550818998
EOS-3-06097,N#CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)s1,LRNXXRKCJHMXPP-UHFFFAOYSA-N,3,1,0.33,63,306,461.482,2.804,5,0.426,0.76,1.0,0.22232883284216298,0.23143547392228087,0.15527551230210404,0.18687033102597492,0.19897753752313072
EOS-3-06098,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1,DLVJDLZXZWSXFY-UHFFFAOYSA-N,3,1,0.324,52,423,424.428,1.926,6,0.436,0.83,1.0,0.13678808854773492,0.06966623260914262,0.03281988897265438,0.0539973271194572,0.07331788431224728
EOS-3-06099,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)c(Cl)c1,DRMZCPMFDHLDDL-UHFFFAOYSA-N,3,1,0.402,96,680,445.845,3.807,5,0.421,0.77,1.0,0.2005517099581934,0.3473202659173463,0.7585926255911178,0.7686330614762524,0.5187744157357275
EOS-3-06100,Cn1nccc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,GJAPUUJSLQKDJN-UHFFFAOYSA-N,3,1,0.44,89,398,467.493,2.453,6,0.387,0.84,1.0,0.3385820026043451,0.07692241792886026,0.04895140840243986,0.04343430882050579,0.12697253443903775
EOS-3-06101,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cc4F)n23)nc1,HPCFNJTVCXDBQK-UHFFFAOYSA-N,3,1,0.394,63,457,473.39,3.21,5,0.429,0.8,1.0,0.5448478514152559,0.44541155506819274,0.7586011925159345,0.6564320471523541,0.6013231615379343
EOS-3-06102,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cn2)n1C,GTPZDAGGSAFLFD-UHFFFAOYSA-N,3,1,0.352,70,687,446.478,3.414,6,0.405,0.77,0.995,0.05390309094647385,0.033565211431704475,0.09815982454937976,0.11292920293331506,0.07463933246521828
EOS-3-06103,NC(=O)c1ccc(-c2nnc3cncc(-c4nccn4Cc4ccc(F)c(F)c4F)n23)cn1,MMNXFNCERDKAIW-UHFFFAOYSA-N,3,1,0.336,22,575,450.384,2.614,5,0.412,0.72,0.731,0.21161160989651154,0.30810945103145776,0.5949386608183127,0.5917517647865123,0.42660287163319854
EOS-3-06104,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cn1,NYMGJNSBHVBKCU-UHFFFAOYSA-N,3,1,0.282,25,373,435.455,2.444,6,0.414,0.76,1.0,0.11194400657939826,0.07348708107737646,0.1170670276197656,0.1244945514358166,0.10674816667808924
EOS-3-06105,Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)nn1,LQOPQJGAKQIKKD-UHFFFAOYSA-N,3,1,0.489,89,731,439.439,2.025,5,0.419,0.71,1.0,0.41541018436022203,0.1590106915221712,0.09110067850044548,0.04746076348433966,0.1782455794667946
EOS-3-06106,Cc1ncc(-c2ncccc2-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)nn1,ZFSLRXCXKBAZBB-UHFFFAOYSA-N,3,1,0.275,33,432,450.466,2.301,6,0.427,0.69,1.0,0.08265369063121102,0.04698958261942293,0.018256116784319102,0.026214789939003495,0.04352854499348914
EOS-3-06107,OC(F)(F)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cn1,IWFFUAXSXUYMLS-UHFFFAOYSA-N,3,1,0.451,68,455,423.305,2.628,4,0.504,0.72,1.0,0.3638886985127818,0.5351929271468714,0.9857189363306148,0.9350541429648414,0.7049636762387773
EOS-3-06108,NC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5cccc(Cl)c5)nn4)n23)cc1,BARQKNAVUFIUDP-UHFFFAOYSA-N,3,1,0.656,43,104,446.858,2.703,5,0.425,0.74,1.0,0.33379309163182785,0.33732266465629496,0.3421372764032623,0.34571825097662945,0.33974282091700364
EOS-3-06109,CCOCc1cncc2nnc(-c3ccc(F)c(-c4ccc(Cl)c(C(=O)O)c4)c3)n12,WUMQGDSDHHBLOO-UHFFFAOYSA-N,3,1,0.423,23,646,426.835,4.486,4,0.488,0.85,1.0,0.5013021725721335,0.43686176410115823,0.8478514152559797,0.8221335069563429,0.6520372147214035
EOS-3-06110,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)s1,QWAYGCIKKORDKF-UHFFFAOYSA-N,3,1,0.351,62,302,453.531,4.177,6,0.429,0.82,1.0,0.11767527928174902,0.06216160646974162,0.11985984510999931,0.15731444040847098,0.11425279281749023
EOS-3-06111,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cn4)n23)cc1)N1CCCC1,NOLPNFPIRVTROD-UHFFFAOYSA-N,3,1,0.333,52,376,436.475,4.349,6,0.416,0.82,1.0,0.02158865053800288,0.003409636077033788,0.01590877938455212,0.08604619285861147,0.03173831471455006
EOS-3-06112,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nn5)nc4)n23)cn1,LEIQBXRFPIGKAX-UHFFFAOYSA-N,3,1,0.333,82,204,423.44,2.373,5,0.467,0.72,0.998,0.16681516003015556,0.0662137619080255,0.11707559454458227,0.0660766911109588,0.10404530189843053
EOS-3-06113,CC(F)(F)c1cnc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,DYQKINDMQJWJJR-UHFFFAOYSA-N,3,1,0.444,63,334,466.467,4.115,5,0.443,0.8,1.0,0.3313600849838942,0.3713162223288328,0.7061801795627441,0.6680402302789391,0.5192241792886025
EOS-3-06114,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cc1,YTVARKRZDPWHFU-UHFFFAOYSA-N,3,1,0.348,9,508,448.494,3.532,6,0.397,0.81,1.0,0.12286683572064971,0.0469981495442396,0.14028339387293537,0.14191967651291892,0.1130170139126859
EOS-3-06115,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)cc1,HIHGYSFZSFLDLL-UHFFFAOYSA-N,3,1,0.348,9,508,448.494,3.532,6,0.397,0.81,1.0,0.12287540264546638,0.04700671646905627,0.14029196079775205,0.14192824343773558,0.11302558083750258
EOS-3-06116,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ncc(F)cn5)c4)n23)nc1,REBXYSBACYFTGH-UHFFFAOYSA-N,3,1,0.446,46,665,460.404,2.599,5,0.409,0.74,1.0,0.6142313755054486,0.3081180179562744,0.4880577068055651,0.42234939346172296,0.4581891234322528
EOS-3-06117,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(F)cn5)n4)n23)cc1,XVDFQEUALAJBKY-UHFFFAOYSA-N,3,1,0.538,89,82,460.404,2.599,5,0.409,0.76,1.0,0.7033873620725104,0.3231786717839764,0.3839952710575012,0.31729319443492565,0.4319636248372284
EOS-3-06119,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)n1,XEXAKJJWHFLPQO-UHFFFAOYSA-N,3,1,0.506,16,256,430.859,3.579,5,0.416,0.77,1.0,0.6086543074497979,0.6017750668220135,0.41636111301487216,0.4351740799122747,0.5154911417997395
EOS-3-06120,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)c1,XUKPILYSQHYQBN-UHFFFAOYSA-N,3,1,0.301,98,866,436.443,1.839,6,0.406,0.73,1.0,0.1044565142896306,0.06217017339455829,0.03810568158453841,0.04610718936330615,0.06270988965800836
EOS-3-06121,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)cc4Cl)n23)cn1,JDXHNDWDUSYIJI-UHFFFAOYSA-N,3,1,0.337,82,336,457.885,3.027,5,0.436,0.73,1.0,0.26046021520115137,0.2566479336577342,0.23643855801521485,0.22726338153656364,0.24520252210266602
EOS-3-06122,Cn1ncc(-c2cccnc2F)c1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,NWIPZNGUHCDEHP-UHFFFAOYSA-N,3,1,0.337,52,582,454.469,3.285,6,0.409,0.76,1.0,0.10935679528476458,0.1707473785210061,0.215029812898362,0.28045541772325405,0.1938973511068467
EOS-3-06123,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)s4)n23)cc1,VKYURMPCPMLHRL-UHFFFAOYSA-N,3,1,0.5,89,731,430.453,2.383,5,0.434,0.76,1.0,0.41541875128503875,0.24679597011856624,0.11106161332328147,0.07152525529435953,0.21120039750531147
EOS-3-06124,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)nn1,LOWQHDZIGODPMY-UHFFFAOYSA-N,3,1,0.417,85,357,423.44,2.036,5,0.453,0.71,1.0,0.10189500376944692,0.04701528339387293,0.10851723665273114,0.06608525803577547,0.08087819546295662
EOS-3-06125,Cc1ncc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)cn1,YXGLJWONSSHZML-UHFFFAOYSA-N,3,1,0.386,85,357,423.44,2.036,5,0.453,0.71,1.0,0.147565279967103,0.08040915632924406,0.15242272633815365,0.08260228908231101,0.11574986292920295
EOS-3-06126,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)ccn1,OKOMLPOUGMKWNE-UHFFFAOYSA-N,3,1,0.288,98,150,434.467,3.143,6,0.42,0.74,1.0,0.006236721266534165,0.015737440888218764,0.26879583304776916,0.22406791857994654,0.12870947844561717
EOS-3-06127,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cc2)n1,TTZAUSWFDHGTDX-UHFFFAOYSA-N,3,1,0.307,98,193,436.439,3.007,6,0.41,0.76,1.0,0.13145946131176753,0.0995562332944966,0.11385443081351518,0.10175793297238024,0.1116570145980399
EOS-3-06128,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nn1)N1CCOCC1,YDFUVRDZKZRDQE-UHFFFAOYSA-N,3,1,0.375,52,229,464.489,2.783,6,0.399,0.8,1.0,0.015968747858268795,0.00044548009046672607,0.004583304776917278,0.022899390034953053,0.010974230690151462
EOS-3-06129,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5nnnn5C)c4)n23)c(Cl)c1,IZPGGAPMKYPKCM-UHFFFAOYSA-N,3,1,0.339,61,112,447.85,1.452,5,0.433,0.67,1.0,0.14757384689191969,0.23144404084709752,0.06229011034199164,0.07921835377972723,0.130131587965184
EOS-3-06130,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cc(F)cnc5F)ncn4)n23)cc1,GRKGVIYOTKUCBO-UHFFFAOYSA-N,3,1,0.388,14,357,458.432,2.872,5,0.403,0.74,1.0,0.2736275786443698,0.24169864985264888,0.5259577821945035,0.43518264683709135,0.3691166643821534
EOS-3-06131,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnnc5)cn4)n23)cc1,CRYFLTHQBUCLKW-UHFFFAOYSA-N,3,1,0.529,89,731,438.451,2.582,5,0.43,0.73,1.0,0.4407682818175588,0.19685936536220958,0.38400383798231785,0.2272719484613803,0.31222585840586664
EOS-3-06132,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)cc1F,SIAHURFUQKCBSK-UHFFFAOYSA-N,3,1,0.333,52,582,456.506,4.613,6,0.417,0.87,1.0,0.1894832430950586,0.22117229799191282,0.42747241450209034,0.5305410869714208,0.3421672606401206
EOS-3-06133,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cccc(-c5ccnc(F)c5)c4)n23)cc1,SCXBHDJDEBQONG-UHFFFAOYSA-N,3,1,0.343,62,302,450.477,4.552,6,0.397,0.91,1.0,0.16959084367075594,0.16679802618052225,0.5918288671098623,0.6624031937495717,0.397655232677678
EOS-3-06134,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(C)cn5)c4)n23)cc1,JJULYDPBXUJPRQ-UHFFFAOYSA-N,3,1,0.535,89,656,452.478,2.89,5,0.418,0.75,1.0,0.5973888013158797,0.18797546432732506,0.27647179768350355,0.135006168185868,0.2992105578781441
EOS-3-06135,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cn1,DWLOLFYTRTTWNE-UHFFFAOYSA-N,3,1,0.263,94,165,432.451,3.106,6,0.418,0.76,1.0,0.021597217462819545,0.01880439997258584,0.380080186416284,0.342531354944829,0.19075328969912958
EOS-3-06136,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)cn1,ABOKAVBOCYWZOK-UHFFFAOYSA-N,3,1,0.263,86,957,432.451,3.106,6,0.418,0.76,1.0,0.02841648961688712,0.01434959906791858,0.23644712494003153,0.23311459118634775,0.12808195120279625
EOS-3-06137,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnccn5)nn4)n23)cn1,MLOXIWVIFNEBFI-UHFFFAOYSA-N,3,1,0.354,85,290,424.428,1.384,5,0.443,0.73,1.0,0.12288396957028305,0.05839215955040779,0.042440545541772325,0.023601877869919814,0.06182963813309575
EOS-3-06138,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NOC)nc4)n23)nc1,ZKNSMVVJSKJOOP-UHFFFAOYSA-N,3,1,0.287,63,108,418.417,1.289,4,0.447,0.81,1.0,0.21162017682132822,0.03963059420190528,0.05643890069220753,0.011985127818518265,0.07991869988348982
EOS-3-06139,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4C)n23)cc1,IOIOZCSZHAGWMH-UHFFFAOYSA-N,3,1,0.494,89,398,440.467,2.619,5,0.432,0.71,1.0,0.3731666780892331,0.14004351997806866,0.21849941744911247,0.09562401480364609,0.2068334075800151
EOS-3-06140,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)cc1,UECYOWIIFLTJMB-UHFFFAOYSA-N,3,1,0.314,52,295,423.44,2.531,6,0.445,0.81,1.0,0.16146939894455486,0.08716846000959495,0.08632033445274484,0.11293776985813173,0.11197399081625659
EOS-3-06141,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)c1,OZZHDKRLCFYLAT-UHFFFAOYSA-N,3,1,0.301,10,871,435.426,3.635,6,0.417,0.77,0.248,0.011950860119251594,0.12212151326159962,0.44944657665684323,0.5305496538962374,0.27851715098348295
EOS-3-06142,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(OC4CCC4)nn3)n12,DLTFSQMDTJFENA-UHFFFAOYSA-N,3,1,0.59,63,683,422.876,3.788,5,0.447,0.84,0.989,0.7188849290658625,0.7313069700500309,0.12278116647248304,0.33632033445274484,0.4773233500102803
EOS-3-06143,OCc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4C(F)(F)F)n23)cn1,OXWXZYMOWMVMFW-UHFFFAOYSA-N,3,1,0.511,68,127,436.781,3.325,4,0.512,0.7,1.0,0.873038174216983,0.8986104447947365,0.9733739976697965,0.935062709889658,0.9200213316427935
EOS-3-06144,CCCn1nccc1CCc1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,QYRYOYCJTFBNFW-UHFFFAOYSA-N,3,1,0.34,78,66,416.489,2.47,5,0.473,0.84,1.0,0.05230107600575697,0.02529812898362004,0.003178329106983757,0.0031183606332670826,0.020973973682406964
EOS-3-06145,Cc1ncc(-c2ncsc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,XYQAJNIFVORNBJ-UHFFFAOYSA-N,3,1,0.33,52,582,454.519,3.572,6,0.432,0.8,0.999,0.0969775889246796,0.08041772325406073,0.06229867726680831,0.0792269207045439,0.07973022753752314
EOS-3-06146,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c(F)c1)N1CCCC1,TUMBFYRAZFBVQD-UHFFFAOYSA-N,3,1,0.361,52,376,465.492,4.29,6,0.393,0.9,0.997,0.12850387225001714,0.1257453224590501,0.054716948804057294,0.2158008361318621,0.13119174491124666
EOS-3-06147,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,VYAVCBXPYLAVMX-UHFFFAOYSA-N,3,1,0.523,87,304,430.859,3.313,5,0.404,0.79,1.0,0.7251045164827633,0.8640686039339319,0.364891028716332,0.4030052772256871,0.5892673565896785
EOS-3-06148,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ncc(C)cn5)n34)c(Cl)c2)nc1,IRBHJIWVSJJVKV-UHFFFAOYSA-N,3,1,0.434,65,863,430.859,4.101,5,0.419,0.83,1.0,0.5318689603180042,0.539716263450072,0.2946765129189226,0.3048711534507573,0.41778322253443906
EOS-3-06149,Cc1c(-c2cncc3nnc(-c4ccc(C(=O)O)cc4)n23)c(-c2ccc(F)cn2)nn1C,UDNXVIKVPGKWLX-UHFFFAOYSA-N,3,1,0.404,61,844,429.415,3.4,5,0.466,0.72,1.0,0.11768384620656569,0.06622232883284217,0.2946850798437393,0.2390600370091152,0.1794128229730656
EOS-3-06150,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)cc1F,PPICBSAOUUWNJQ-UHFFFAOYSA-N,3,1,0.418,51,943,457.429,2.116,5,0.407,0.74,1.0,0.5632324720718251,0.40010965663765335,0.2723939414707697,0.18167877458707424,0.3543537111918306
EOS-3-06151,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cn3)n12,CIIYDQLHOQGMSD-UHFFFAOYSA-N,3,1,0.326,98,213,463.465,2.509,6,0.375,0.8,1.0,0.14758241381673634,0.0804262901788774,0.1031800424919471,0.08431567404564458,0.10387610513330134
EOS-3-06152,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)nc1,HCGHJAJIEDVXBF-UHFFFAOYSA-N,3,1,0.318,39,972,450.441,3.245,6,0.402,0.76,1.0,0.18087348365430744,0.25176478651223355,0.2221146597217463,0.30804948255774106,0.2407006031115071
EOS-3-06153,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cc1,UFZAIAZFYHNXCC-UHFFFAOYSA-N,3,1,0.32,25,508,437.492,3.772,6,0.414,0.79,1.0,0.06829552463847577,0.10616133232814749,0.21503837982317867,0.25962922349393464,0.16228111507093412
EOS-3-06154,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)no4)n23)cc1,OSNZCAPQPSVFLD-UHFFFAOYSA-N,3,1,0.4,62,837,415.388,3.007,5,0.48,0.86,1.0,0.2253272565279967,0.2877201699677884,0.3313429511342608,0.30151291892262355,0.28647582413816736
EOS-3-06155,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(Cl)ccc5Cl)no4)n23)cc1,JWBAHXABPDJISW-UHFFFAOYSA-N,3,1,0.364,96,837,466.288,4.175,5,0.423,0.85,1.0,0.27905900897813724,0.347328832842163,0.49123603591254883,0.5600455760400247,0.41941736344321845
EOS-3-06156,Cc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)nn1,VABJZQBJKVPVJR-UHFFFAOYSA-N,3,1,0.5,89,946,439.439,2.025,5,0.419,0.72,1.0,0.46155164142279487,0.1668065931053389,0.13390103488451785,0.0645603454184086,0.20670490370776506
EOS-3-06157,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnc(F)c5)c4)n23)cc1,XHRNEHWAKSLDRM-UHFFFAOYSA-N,3,1,0.333,74,246,446.421,2.877,5,0.403,0.74,1.0,0.034507573161537936,0.0839130285792612,0.4635049002809951,0.3910115824823521,0.2432342711260366
EOS-3-06158,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnn(C(F)F)c5)c4)n23)cc1F,PPXINYFGOTXMJR-UHFFFAOYSA-N,3,1,0.327,82,859,450.384,3.35,5,0.439,0.71,0.998,0.18949181001987528,0.2773541909396203,0.8383592625591118,0.7686416284010692,0.5184617229799191
EOS-3-06159,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ccc(-c4cnccn4)nc3)n12,SGAWIOICLBRIFE-UHFFFAOYSA-N,3,1,0.333,85,357,422.452,2.641,5,0.461,0.72,1.0,0.13395243643341787,0.03963916112672195,0.27240250839558633,0.1842659858817079,0.1575650229593585
EOS-3-06160,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)o1,NHRGTCAQNSOYDW-UHFFFAOYSA-N,3,1,0.511,89,398,468.477,3.016,6,0.382,0.85,1.0,0.31638510040435885,0.05840072647522445,0.08878760879994517,0.07923548762936057,0.13570223082722227
EOS-3-06161,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)cc1,MPWOHVTWRDVXDD-UHFFFAOYSA-N,3,1,0.338,98,42,434.467,3.049,6,0.42,0.74,1.0,0.11501096566376534,0.05059625796724008,0.19070831334384208,0.1704561030772394,0.13169291001302175
EOS-3-06162,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cc1,CWEHBLHTNYQMCM-UHFFFAOYSA-N,3,1,0.256,42,170,431.463,3.711,6,0.419,0.8,1.0,0.07415530121307655,0.02763689945857035,0.4458484682338428,0.42235796038653967,0.24249965732300732
EOS-3-06163,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ncccc4-c4ccccc4)n23)c1,MRFJHMOUILYAOK-UHFFFAOYSA-N,3,1,0.307,25,791,431.463,3.711,6,0.419,0.8,1.0,0.06096223699540813,0.033573778356521145,0.21504694674799535,0.3202830511959427,0.15746650332396683
EOS-3-06164,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)nc2)cn1,XLVMHNFEAWJYHJ-UHFFFAOYSA-N,3,1,0.309,98,42,435.455,2.444,6,0.414,0.75,1.0,0.034516140086354605,0.020826194229319445,0.17461962853813995,0.14688849290658626,0.09421261394010005
EOS-3-06165,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)s4)n23)cc1F,PRAZDXSZJJSEGY-UHFFFAOYSA-N,3,1,0.327,62,302,457.494,4.008,6,0.428,0.81,1.0,0.14759098074155302,0.2265009252278802,0.13390960180933453,0.2596377904187513,0.19190982454937977
EOS-3-06166,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)cncc5C)cc4)n23)cc1,LDBBWHGTCOKJIO-UHFFFAOYSA-N,3,1,0.364,62,3,434.503,4.497,5,0.45,0.83,1.0,0.19484613803029266,0.05434000411212391,0.6196542389143993,0.46650332396682886,0.3338359262559112
EOS-3-06167,Cn1nncc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cn1,MRLWMWVRPKZGMU-UHFFFAOYSA-N,3,1,0.548,89,731,427.428,1.66,5,0.432,0.75,1.0,0.40418751285038723,0.10295730244671372,0.16796312795558907,0.0896871359056953,0.19119876978959635
EOS-3-06168,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC6CC(C5)O6)cc4F)n23)nc1,ZOCWHCXSEHARML-UHFFFAOYSA-N,3,1,0.321,0,825,459.441,1.705,7,0.492,0.69,0.64,0.28191179494208757,0.24170721677746557,0.1339181687341512,0.22135220341306286,0.2197223459666918
EOS-3-06169,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5cncnn5)cc4F)n23)cc1,HRIHARUXMPGIIW-UHFFFAOYSA-N,3,1,0.385,85,357,455.457,2.518,5,0.414,0.7,1.0,0.1921989582619423,0.15901925844698786,0.2472328832842163,0.18687889795079157,0.19633249948598452
EOS-3-06170,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)cn2)cn1,QDAKBSZHSYIFFV-UHFFFAOYSA-N,3,1,0.329,86,443,437.402,2.63,6,0.441,0.73,0.998,0.16147796586937152,0.2722654375985196,0.24013946953601537,0.2567678706051676,0.23266268590226852
EOS-3-06171,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)c(F)c1,HWVUGGRAAUKQLO-UHFFFAOYSA-N,3,1,0.326,25,866,452.457,3.188,6,0.405,0.77,1.0,0.19220752518675896,0.2619508601192516,0.3091374820094579,0.352280515386197,0.27889409567541634
EOS-3-06172,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ncc(C)s5)n4)n23)cc1F,VWEMHCBVOAHOQP-UHFFFAOYSA-N,3,1,0.345,74,768,446.471,3.179,5,0.451,0.69,1.0,0.17786649304365704,0.20618874648756083,0.19428072099239257,0.16000445480090467,0.18458510383112878
EOS-3-06173,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nc5)n34)nc2)CCC1,WQXLLTZLYKPGRE-UHFFFAOYSA-N,3,1,0.365,63,505,434.891,2.893,5,0.48,0.72,0.999,0.1392896305942019,0.17075594544582276,0.014598039887601947,0.05400589404427387,0.09466237749297512
EOS-3-06174,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cc1F,HXSGGWSJHDZOGV-UHFFFAOYSA-N,3,1,0.495,0,21,486.507,2.962,6,0.466,0.97,1.0,0.19221609211157564,0.07349564800219313,0.018264683709135768,0.08432424097046125,0.09207516619834144
EOS-3-06175,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NCC#N)c(F)c5)n34)nc2)n1C,ANDIZDQBJNWJKF-UHFFFAOYSA-N,3,1,0.324,74,768,468.456,2.35,5,0.388,0.81,1.0,0.2059060379686108,0.2211808649167295,0.19071688026865877,0.16258309917072167,0.1950967205811802
EOS-3-06176,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(F)nc5)n4)n23)cc1,WPXGKWCLUHNZNS-UHFFFAOYSA-N,3,1,0.337,62,423,451.465,3.947,6,0.407,0.82,1.0,0.1922246590363923,0.18798403125214172,0.37260982797614967,0.43787266122952506,0.29767279487355214
EOS-3-06177,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)cc1,JXTLODXXFKMYEJ-UHFFFAOYSA-N,3,1,0.316,98,42,435.455,2.444,6,0.414,0.73,1.0,0.14759954766636968,0.0735042149270098,0.09816839147419643,0.10392536495099719,0.10579937975464328
EOS-3-06178,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnn5)cc4OC)n23)c(C)c1,ZGPAFWNYMHDPPU-UHFFFAOYSA-N,3,1,0.292,74,333,453.466,2.382,5,0.426,0.76,1.0,0.2819203618669043,0.07351278185182647,0.1977074909190597,0.09167466246316222,0.1612038242752382
EOS-3-06179,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3nc(-c4c(F)ccc(F)c4F)no3)n12,RLDYHSIBYFNENI-UHFFFAOYSA-N,3,1,0.374,45,837,451.368,3.333,5,0.416,0.76,1.0,0.3059677198272908,0.34733739976697964,0.6135460215201152,0.6005242957987801,0.4668438592282914
EOS-3-06180,CCn1nc(-c2cccc(Cl)c2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,LYNOSILOSOWBDJ-UHFFFAOYSA-N,3,1,0.376,61,124,458.913,3.75,5,0.43,0.79,1.0,0.12008258515523268,0.26712528270851893,0.13099684737166747,0.17046467000205606,0.1721673463093688
EOS-3-06181,CNC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)cc1F,YIMSTGNQBNJISZ-UHFFFAOYSA-N,3,1,0.531,90,555,414.347,2.542,4,0.539,0.79,1.0,0.7837365499280379,0.530506819272154,0.7945394421218559,0.7162891508464122,0.706267990542115
EOS-3-06182,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cn4)n23)cc1F,RKANTAKLGDOQIT-UHFFFAOYSA-N,3,1,0.362,89,310,458.413,3.06,6,0.407,0.78,1.0,0.5188301007470358,0.3030378315399904,0.19428928791720923,0.21580940305667878,0.3079916558152286
EOS-3-06183,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)cn4)n23)cc1)N1CCOCC1,DUJSEQHBLPEMNY-UHFFFAOYSA-N,3,1,0.398,52,376,468.542,4.054,6,0.396,0.88,1.0,0.014263929819751902,0.0013621410458501816,0.024878349667603317,0.08433280789527792,0.031209307107120828
EOS-3-06184,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5csnn5)cn4)n23)cn1,DOKXXOJVDHIAPH-UHFFFAOYSA-N,3,1,0.358,85,516,429.469,2.05,5,0.45,0.72,1.0,0.05391165787129052,0.06217874031937496,0.06426050304982524,0.0397333972997053,0.055021074635049
EOS-3-06185,CCCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,HLURSLZKCFGXEX-UHFFFAOYSA-N,3,1,0.386,63,334,413.485,3.017,5,0.5,0.85,1.0,0.1614865327941882,0.036537934343088205,0.023824617915153178,0.029992803783154,0.06296047220889589
EOS-3-06186,Cc1c(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(F)c2)nnn1C,XYPXENOSZJWTQG-UHFFFAOYSA-N,3,1,0.404,14,740,442.458,2.724,5,0.447,0.71,1.0,0.12289253649509972,0.1922760605852923,0.2984031252141731,0.24472277431293263,0.21457362415187445
EOS-3-06187,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(C#N)c4)n23)c(C)c1,UPWPECOPLTXWBI-UHFFFAOYSA-N,3,1,0.408,0,646,414.444,3.451,4,0.54,0.81,1.0,0.3262713316427935,0.32783051195942703,0.7011599616201768,0.5854722088958947,0.48518350352957296
EOS-3-06188,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)nc4)n23)cn1,IOJHKUICTLOHKK-UHFFFAOYSA-N,3,1,0.506,55,930,443.402,1.855,5,0.415,0.73,1.0,0.6142399424302653,0.3616698649852649,0.16797169488040573,0.11990267973408265,0.31594604550750466
EOS-3-06189,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)cn5)c4)n23)cn1,YMIOZLPYQJHSCU-UHFFFAOYSA-N,3,1,0.457,55,879,443.402,1.855,5,0.415,0.73,1.0,0.5632410389966418,0.33733123158111167,0.25790727160578436,0.18688746487560826,0.33634175176478653
EOS-3-06190,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnc(-c4ccncn4)cn3)n12,ASWZGADXTIVIEF-UHFFFAOYSA-N,3,1,0.302,74,295,449.478,2.906,6,0.434,0.72,1.0,0.12009115208004935,0.03964772805153862,0.09316530738126243,0.10814885888561442,0.0902632615996162
EOS-3-06191,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nn1,UPARPVNJMOZPMG-UHFFFAOYSA-N,3,1,0.303,98,63,433.439,2.501,6,0.412,0.75,1.0,0.06830409156329244,0.07352134877664314,0.07269892399424302,0.11991124665889932,0.08360890274826949
EOS-3-06192,Cc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)nn1,MXNJPUVMMYUJKM-UHFFFAOYSA-N,3,1,0.336,52,582,466.48,3.65,6,0.421,0.78,1.0,0.1534507573161538,0.19686793228702626,0.2255414296484134,0.2686844630251525,0.21113614556918647
EOS-3-06193,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nc(C)n(C)n5)nc4)n23)cc1,MJLZFLOJEJYUNO-UHFFFAOYSA-N,3,1,0.54,89,512,455.482,2.229,5,0.413,0.77,0.993,0.38707079706668496,0.14348742375436913,0.07270749091905969,0.02446713727640326,0.15693321225412926
EOS-3-06194,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(C)c5)cn4)n23)cc1,JGDFLBPMFOCPGC-UHFFFAOYSA-N,3,1,0.484,89,731,452.478,2.89,5,0.418,0.74,1.0,0.48129840312521416,0.19228462751010897,0.29105270372147213,0.13976081145911864,0.2760991364539785
EOS-3-06195,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)nc4F)n23)cc1Cl,PNNXTDJBLBMQMB-UHFFFAOYSA-N,3,1,0.38,61,129,417.231,3.659,4,0.515,0.78,1.0,0.3571465286820643,0.42316325131930643,0.7969210472208896,0.8301949832088273,0.6018564526077719
EOS-3-06196,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ccc4Cl)n23)nc1,YBZITGZOUFGPLP-UHFFFAOYSA-N,3,1,0.456,36,728,433.863,2.918,5,0.416,0.78,1.0,0.4790367349736139,0.6066239462682476,0.2436604756356658,0.2922863408950723,0.4054018744431499
EOS-3-06197,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nc2)n1,WMSUPXXXLSZZTN-UHFFFAOYSA-N,3,1,0.375,25,74,449.453,3.85,6,0.403,0.82,1.0,0.1721609211157563,0.31844116236035913,0.47387087930916316,0.5570300185045576,0.38037574532245905
EOS-3-06198,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nncn5C)ncc4Cl)n23)cc1F,RRJCDHNFBZQEGU-UHFFFAOYSA-N,3,1,0.322,74,413,463.864,2.801,5,0.435,0.72,1.0,0.31390925913234186,0.30812658488109107,0.3611644164210815,0.3749657323007333,0.33954149818381196
EOS-3-06199,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5Cl)nn4)n23)c(F)c1,AHVQXFIALDQZPM-UHFFFAOYSA-N,3,1,0.327,22,997,462.876,3.581,5,0.428,0.76,1.0,0.08266225755602769,0.26195942704406827,0.44585703515865943,0.49690734014118293,0.32184651497498457
EOS-3-06200,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nc1,BSCAANZAXRFLCT-UHFFFAOYSA-N,3,1,0.311,94,342,432.451,3.106,6,0.418,0.75,1.0,0.16149509971900486,0.06218730724419162,0.16171783976423823,0.20391851141114387,0.14732968953464465
EOS-3-06201,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)c1,ZWYQYLIGCHERIB-UHFFFAOYSA-N,3,1,0.329,64,27,432.451,3.106,6,0.418,0.77,1.0,0.06435473922280859,0.02530669590843671,0.10059283119731341,0.17047323692687272,0.09018187581385785
EOS-3-06202,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncccc5Cl)cc4)n23)cc1,FUYACVDBUILTLB-UHFFFAOYSA-N,3,1,0.447,62,319,454.921,4.457,5,0.424,0.82,1.0,0.29560174079912277,0.3030463984648071,0.6770954698101569,0.6451579740936193,0.48022539579192647
EOS-3-06203,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)n1C,SHVQTGCLEFRDCF-UHFFFAOYSA-N,3,1,0.33,74,776,428.431,2.8,5,0.47,0.72,0.785,0.19760468782125967,0.21118326365567816,0.18739291343979164,0.19257590295387567,0.19718919196765128
EOS-3-06204,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)cn4)n23)cc1)N1CC(F)(F)C1,JGJBUXDLFDEXMR-UHFFFAOYSA-N,3,1,0.303,52,376,470.443,3.401,6,0.397,0.85,1.0,0.18950037694469193,0.1879925981769584,0.2800527722568707,0.3843122472757179,0.26046449866355975
EOS-3-06205,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(C)ncc4-c4ccccc4)n23)cc1,PFRCBXPOLNNVBG-UHFFFAOYSA-N,3,1,0.494,1,347,451.49,3.495,5,0.421,0.78,1.0,0.5038465492426838,0.23630148721814817,0.30555650743609075,0.1868960318004249,0.30815014392433693
EOS-3-06206,CCCc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(C(F)F)cn3)n12,ATLIOVTZFKYLNE-UHFFFAOYSA-N,3,1,0.343,63,334,463.492,3.954,5,0.425,0.78,0.939,0.19485470495510931,0.19229319443492565,0.23303748886299774,0.2360273456240148,0.2140531834692619
EOS-3-06207,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cnn(C)c4-c4ccc(F)cc4)n23)c1,GGGODLDVEAHABW-UHFFFAOYSA-N,3,1,0.35,25,791,452.457,3.188,6,0.405,0.79,1.0,0.16959941059557262,0.28772873689260503,0.2650435199780687,0.3653622095812487,0.2719334692618738
EOS-3-06208,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnn5)nc4)n23)cn1,UXTLNRMFUKCCGL-UHFFFAOYSA-N,3,1,0.365,85,580,423.44,1.922,5,0.437,0.76,0.789,0.11769241313138236,0.05434857103694058,0.07490062367212666,0.05838359262559112,0.07633130011651018
EOS-3-06209,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)nc2)ccn1,GXKJRHSRPGUDON-UHFFFAOYSA-N,3,1,0.284,76,387,437.402,2.63,6,0.413,0.75,0.992,0.17787505996847372,0.24171578370228222,0.26505208690288534,0.3233157425810431,0.2519896682886711
EOS-3-06210,COCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc5nc(C#N)ccc5c4)n23)cc1,DFNUSTNAXNBFLU-UHFFFAOYSA-N,3,1,0.322,62,124,449.474,3.254,5,0.395,0.79,1.0,0.33859056952916183,0.1552326776780207,0.504951682544034,0.412857240764855,0.35290804262901787
EOS-3-06211,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(Cl)c(-c5cnccn5)nn4)n23)cc1,WFMQSIMATSEJDZ-UHFFFAOYSA-N,3,1,0.408,85,357,457.885,2.642,5,0.427,0.71,1.0,0.19761325474607636,0.2061973134123775,0.18080494825577412,0.17589610033582345,0.19012790418751285
EOS-3-06212,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)c2)n1,DDHZTYROQUQQKA-UHFFFAOYSA-N,3,1,0.256,94,342,433.439,2.501,6,0.412,0.77,0.997,0.0722534439037763,0.02083476115413611,0.09554691248029608,0.14436981701048593,0.0832512336371736
EOS-3-06213,Clc1ccc(-c2nnc3cncc(OCc4nccc(-n5ccnn5)n4)n23)c(Cl)c1,DHNZVQQWPIGXGL-UHFFFAOYSA-N,3,1,0.511,73,446,440.254,3.048,5,0.41,0.79,1.0,0.3338016585566445,0.5493540538688233,0.32396682886710987,0.4756527996710301,0.4206938352409019
EOS-3-06214,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cc4C)n23)cc1,LDQIHZATRHDGAS-UHFFFAOYSA-N,3,1,0.378,62,3,438.466,4.327,5,0.452,0.78,1.0,0.3211397436776095,0.2877373038174217,0.7372010143238983,0.6365996162017682,0.4956694195051744
EOS-3-06215,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)nc1,AWCWVZLKKLUQGF-UHFFFAOYSA-N,3,1,0.308,25,791,445.49,4.019,6,0.404,0.83,1.0,0.0761685285449935,0.05060482489205675,0.3460095264203961,0.36537077650606536,0.20953841409087792
EOS-3-06216,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)c4)n23)cc1,WMKCTIXIARPTOI-UHFFFAOYSA-N,3,1,0.333,3,642,437.442,3.579,6,0.419,0.75,1.0,0.022779453087519705,0.20620588033719417,0.5193012816119525,0.5570385854293742,0.3263313001165102
EOS-3-06217,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(F)cn5)cn4)n23)cc1,YBZVNXYOKUIZEY-UHFFFAOYSA-N,3,1,0.527,51,943,443.402,1.855,5,0.415,0.71,1.0,0.6854396545815914,0.3278390788842437,0.24724145020903296,0.16001302172572132,0.35513330135014737
EOS-3-06218,Cn1cc(-c2cccc(-c3nnc4cncc(CNc5ccc(F)c(Cl)c5)n34)c2)cn1,YSXJKJNHOXLBPI-UHFFFAOYSA-N,3,1,0.347,14,471,433.878,4.596,5,0.438,0.86,1.0,0.11195257350421493,0.23631005414296485,0.8514152559797136,0.8439791652388459,0.5109142622164348
EOS-3-06219,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(C)nn5C)cn4)n23)cc1Cl,JVNHZZSORYLKQY-UHFFFAOYSA-N,3,1,0.319,74,413,447.89,2.699,5,0.454,0.69,1.0,0.05392022479610719,0.13607703378795147,0.21850798437392913,0.1759046672606401,0.14610247755465697
EOS-3-06220,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cccc(F)c5)nn4)n23)cc1,LZCLCGZSKKIHSZ-UHFFFAOYSA-N,3,1,0.395,98,882,450.441,3.245,6,0.402,0.75,1.0,0.14760811459118633,0.28251147967925433,0.28754026454663834,0.36217531354944826,0.26995879309163184
EOS-3-06221,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cc1,CYUFONYJUMEUAV-UHFFFAOYSA-N,3,1,0.29,25,213,450.441,3.245,6,0.402,0.75,1.0,0.16424508258515524,0.26713384963333564,0.32040298814337603,0.38762764717976833,0.28485239188540884
EOS-3-06222,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c(F)c1,GWALQHXCVGUMLK-UHFFFAOYSA-N,3,1,0.346,25,508,450.441,3.245,6,0.402,0.75,1.0,0.22824857789048042,0.30305496538962373,0.34214584332807896,0.3910201494071688,0.31611738400383793
EOS-3-06223,Cn1ccnc1-c1nc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ccc1F,BWEAWLDIJJDSBD-UHFFFAOYSA-N,3,1,0.527,89,731,444.43,2.404,5,0.426,0.71,1.0,0.5887619080254952,0.36167843191008153,0.2615739154273182,0.1733345898156398,0.3463372112946337
EOS-3-06224,Cn1cnnc1-c1ccc(NCc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(F)c1,NIZGABLWKDUTCW-UHFFFAOYSA-N,3,1,0.408,61,740,443.446,2.437,5,0.412,0.73,1.0,0.19486327187992597,0.1471883352751696,0.3128041258309917,0.21581796998149544,0.2176684257418957
EOS-3-06225,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OCc5ccccc5)nc4)n23)cc1C,JSDASIKWEUZITF-UHFFFAOYSA-N,3,1,0.394,62,637,450.502,4.1,5,0.419,0.84,1.0,0.36858337331231583,0.14005208690288534,0.5530035638407237,0.3813138235898842,0.3607382119114523
EOS-3-06226,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ncnnc3-c3ccc(F)cc3)n12,XFZYCYAASYGXJB-UHFFFAOYSA-N,3,1,0.36,62,124,426.415,2.857,5,0.468,0.73,0.999,0.20317318895209377,0.2363186210677815,0.38770474950311834,0.38763621410458504,0.30370819340689464
EOS-3-06227,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cc(-c5ccccn5)ncn4)n23)cc1,BLIUETDKFNOFKC-UHFFFAOYSA-N,3,1,0.382,52,916,462.517,3.321,6,0.395,0.78,1.0,0.2140703173188952,0.05061339181687342,0.07706805565074361,0.10393393187581386,0.11142142416558151
EOS-3-06228,NC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cc(Cl)ccc4O)n23)cc1,HMPMSYGOODGPSF-UHFFFAOYSA-N,3,1,0.398,96,837,443.854,3.373,5,0.435,0.8,0.986,0.44077684874237544,0.3855458844493181,0.4773233500102803,0.4848279761496813,0.44711851483791376
EOS-3-06229,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nncn5C)n4)n23)cc1,ZYSKVTMOMBKHBQ-UHFFFAOYSA-N,3,1,0.329,98,42,434.467,3.049,6,0.42,0.73,1.0,0.11196114042903159,0.018812966897402507,0.14313617983688576,0.14193681036255226,0.10396177438146803
EOS-3-06230,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1F,JPPMJIPHNFLTJU-UHFFFAOYSA-N,3,1,0.321,74,768,430.407,1.922,5,0.431,0.79,1.0,0.23638715646631486,0.2417243506270989,0.1227897333972997,0.11037625933794805,0.17781937495716538
EOS-3-06231,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)cn5)c4)n23)cc1,IDURKYXFKOZLLO-UHFFFAOYSA-N,3,1,0.523,89,805,471.908,3.84,5,0.401,0.84,1.0,0.827136591049277,0.5972602974436296,0.5662223288328422,0.4665118908916455,0.6142827770543485
EOS-3-06232,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(Cl)c5)n4)n23)nc1,NGWJLHFMWJYMLK-UHFFFAOYSA-N,3,1,0.424,1,348,471.908,3.84,5,0.401,0.84,1.0,0.4813069700500308,0.4454201219930094,0.44232746213419233,0.4061322047837708,0.4437966897402508
EOS-3-06233,NCc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccnnc5)c4)n23)c1,OWVFWXLDDCOSTJ-UHFFFAOYSA-N,3,1,0.556,43,909,427.443,3.425,5,0.443,0.75,1.0,0.715646631485162,0.4674199849222123,0.8243609074086766,0.7733791378246865,0.6952016654101844
EOS-3-06234,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc5cc(F)cnc5s4)n23)nc1,HJEMLZLMWGCNHQ-UHFFFAOYSA-N,3,1,0.388,33,53,436.432,2.269,5,0.446,0.7,0.927,0.4041960797752039,0.32318723870879307,0.07048009046672607,0.05549653896237407,0.21333998697827428
EOS-3-06235,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccccn5)cn4)n23)cc1,WEVPDIBDJLCNCA-UHFFFAOYSA-N,3,1,0.396,62,582,449.474,3.933,6,0.418,0.83,1.0,0.2604687821259681,0.15123192378863684,0.24014803646083202,0.24190425604824892,0.22343824960592149
EOS-3-06236,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5F)ccc4F)n23)cc1,FKHWYRZBRKHDNT-UHFFFAOYSA-N,3,1,0.374,62,3,442.429,4.158,5,0.423,0.82,1.0,0.28192892879172093,0.3231958056336098,0.8587314097731479,0.8096343636488246,0.5683726269618259
EOS-3-06237,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(C)n4)n23)ccc1Br,CFEUMRMDVGKBRX-UHFFFAOYSA-N,3,1,0.57,90,400,442.292,4.326,4,0.461,0.8,1.0,0.8826673977109177,0.8667072167774655,0.685037009115208,0.6275186758961003,0.7654825748749229
EOS-3-06238,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnn(-c5cc(Cl)ccn5)c4)n23)cc1,KUZURQVYQRKAEC-UHFFFAOYSA-N,3,1,0.5,89,731,460.885,2.964,5,0.414,0.78,1.0,0.40420464670002054,0.37132478925364953,0.3800887533411007,0.304879720375574,0.3651244774175862
EOS-3-06239,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(Cl)cc(-c5nccnn5)c4)n23)cc1,SMSJOWIHCWLIBC-UHFFFAOYSA-N,3,1,0.337,61,124,467.88,3.217,5,0.389,0.83,1.0,0.21407888424371188,0.21119183058049482,0.5259663491193202,0.5101775066822014,0.36535364265643205
EOS-3-06241,N#CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(Cl)c(F)cc4F)n23)cc1,IHKKQPNURQNRBF-UHFFFAOYSA-N,3,1,0.432,23,646,438.825,3.567,4,0.379,0.82,0.999,0.45489514084024396,0.5168682749640189,0.9150675073675554,0.9024055924885204,0.6973091289150847
EOS-3-06242,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4nnc(-c5ccccn5)s4)n23)cc1,WWZDSCGVJUSOIA-UHFFFAOYSA-N,3,1,0.379,52,740,442.508,3.045,5,0.43,0.7,1.0,0.05392879172092386,0.03965629497635529,0.03538996641765472,0.02447570420121993,0.038362689329038455
EOS-3-06243,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ncn1,PNAPTCUOUPERMK-UHFFFAOYSA-N,3,1,0.43,89,463,467.493,2.453,6,0.387,0.82,1.0,0.35479062435748066,0.11871187718456583,0.09110924542526215,0.07924405455417723,0.16096395038037148
EOS-3-06244,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncc(F)c5)cn4)n23)nc1,HXAUKAQTTKADGS-UHFFFAOYSA-N,3,1,0.346,85,647,466.48,3.265,6,0.409,0.79,1.0,0.15880508532657117,0.16681516003015556,0.2185165512987458,0.2984630936878898,0.2106499725858406
EOS-3-06245,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cc1,FMSDZVFPGONTHS-UHFFFAOYSA-N,3,1,0.347,98,973,421.428,2.23,6,0.425,0.81,1.0,0.017767802069769037,0.025315262833253374,0.04895997532725653,0.06964909875950928,0.04042303474744706
EOS-3-06246,NC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ncc(F)cn5)s4)n23)cc1,KEIHMCZDIKJJDS-UHFFFAOYSA-N,3,1,0.551,89,731,449.431,1.917,5,0.41,0.75,1.0,0.4713093687889795,0.32320437255842643,0.039536358028921935,0.03521862792132136,0.21731718182441231
EOS-3-06247,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)ccc4Oc4cccc(F)c4)n23)cn1,FFJPOHQBIWAPEJ-UHFFFAOYSA-N,3,1,0.37,96,586,458.428,4.283,5,0.422,0.84,0.995,0.6172469330409156,0.6164159413336988,0.7473613871564663,0.7162977177712289,0.6743304948255773
EOS-3-06248,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)cc1,DPOGVKJBXNZSNF-UHFFFAOYSA-N,3,1,0.287,98,866,436.443,1.839,6,0.406,0.73,1.0,0.14476389555205263,0.08043485710369405,0.042449112466588994,0.04883147145500651,0.07911983414433554
EOS-3-06249,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cc(F)cc(F)c5F)cn4)n23)cn1,KTZWTIADKQXDTI-UHFFFAOYSA-N,3,1,0.36,82,155,462.395,3.087,5,0.409,0.76,0.997,0.33136865190871084,0.37623363717360014,0.6548385991364539,0.6217788362689329,0.4960549311219245
EOS-3-06250,COCCn1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4OC)n23)c1,PKXXIDGWZRWYBD-UHFFFAOYSA-N,3,1,0.41,63,536,463.498,2.114,5,0.38,0.86,0.988,0.09452744842711261,0.004591871701733945,0.052720855321773695,0.028202316496470425,0.04501062298677267
EOS-3-06251,NC(=O)c1ccc(-c2nnc3cncc(-c4ccnn4-c4cc(F)c(F)c(F)n4)n23)cc1,FYYDGNLIVZRRTG-UHFFFAOYSA-N,3,1,0.432,22,331,436.357,2.555,5,0.433,0.69,0.999,0.05741553012130766,0.1923017613597423,0.6310311150709341,0.5917603317113289,0.36812718456582827
EOS-3-06252,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(F)cc5)n4)n23)cc1,HNPKOTIYLZNROL-UHFFFAOYSA-N,3,1,0.484,89,398,470.468,2.982,6,0.389,0.86,1.0,0.35715509560688097,0.22650949215269686,0.1746281954629566,0.22407648550476322,0.24559231718182442
EOS-3-06253,CCOc1ccccc1-c1cnc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)cn1,IQLTUZYOEOQNRS-UHFFFAOYSA-N,3,1,0.375,74,776,438.451,2.808,5,0.428,0.75,0.973,0.26840175450620246,0.12213008018641629,0.20115139469536014,0.13501473511068468,0.18167449112466588
EOS-3-06254,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)c(F)c5)cn4)n23)c(F)c1,IJJMUSFRSIITRS-UHFFFAOYSA-N,3,1,0.44,45,837,447.38,3.432,5,0.452,0.69,1.0,0.27614625454047015,0.4231718182441231,0.8496590363922967,0.8421115756288123,0.5977721712014256
EOS-3-06255,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)c(F)c1,YRBPYLUSPFRHHG-UHFFFAOYSA-N,3,1,0.355,22,888,475.875,3.119,6,0.415,0.83,1.0,0.10691522171201426,0.3473459666917963,0.15849667603317114,0.35228908231101363,0.24126173668699885
EOS-3-06256,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1,UWNRKXADEZLJMY-UHFFFAOYSA-N,3,1,0.303,30,748,435.426,3.635,6,0.417,0.77,0.999,0.0006425193612500857,0.07352991570145981,0.39867041326845315,0.5339849907477212,0.2517069597697211
EOS-3-06257,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cnc(Cl)s5)cn4)n23)cc1,AMJBUANPCIDSLP-UHFFFAOYSA-N,3,1,0.398,85,357,462.926,3.309,5,0.426,0.75,1.0,0.21695737098211226,0.282520046604071,0.20469810156946064,0.1677403879103557,0.2179789767664999
EOS-3-06258,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccnnc4-c4cccc(F)c4)n23)cc1,VPZUPDQKYUWQQD-UHFFFAOYSA-N,3,1,0.374,62,124,439.454,3.804,5,0.447,0.73,1.0,0.24426016037283257,0.29316016722637245,0.5049602494688507,0.4695360153519293,0.3779791481049962
EOS-3-06259,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)n1,BHWWXZSSLXSDEO-UHFFFAOYSA-N,3,1,0.298,39,176,451.429,2.64,6,0.398,0.76,0.959,0.12009971900486602,0.18363203344527448,0.08393016242889452,0.16517031046535535,0.1382080563360976
EOS-3-06260,Cn1ncc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)n1,HEWQQBJNVRHZBO-UHFFFAOYSA-N,3,1,0.366,61,341,472.459,3.424,6,0.421,0.8,0.999,0.2983774244397231,0.2671424165581523,0.4163696799396889,0.46954458227674595,0.3628585258035776
EOS-3-06261,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cc(C)n(C)n5)cnn4)n23)cc1F,MDMOARFZYUVOQS-UHFFFAOYSA-N,3,1,0.295,74,768,457.473,2.846,5,0.431,0.7,1.0,0.13679665547255157,0.17956274415735726,0.22212322664656295,0.14689705983140292,0.17134492152696867
EOS-3-06262,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c1,ZSUMIZLXYDKVBO-UHFFFAOYSA-N,3,1,0.448,18,262,430.859,3.313,5,0.404,0.79,1.0,0.7893221849085053,0.8124186142142417,0.33135151805907753,0.36852340483859913,0.575403930505106
EOS-3-06263,Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)nn2)cn1,JKQHNQNDDCCMFS-UHFFFAOYSA-N,3,1,0.314,98,866,436.443,1.933,6,0.407,0.75,1.0,0.006613665958467549,0.02764546638338702,0.06631656500582551,0.06785004454800905,0.04210643547392229
EOS-3-06264,Cn1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)n1,NTFMRDPWZVHIES-UHFFFAOYSA-N,3,1,0.383,33,53,467.493,2.453,6,0.387,0.81,1.0,0.13929819751901856,0.09017545062024536,0.06829552463847577,0.05991707216777466,0.08942156123637858
EOS-3-06265,Cn1cnc(-c2cccc(-c3nnc4cncc(Oc5cncc(Cl)c5)n34)c2)cc1=O,KMJYBNZTHBNZAC-UHFFFAOYSA-N,3,1,0.43,13,374,431.843,3.393,5,0.43,0.78,1.0,0.5858148858885615,0.535201494071688,0.5463213624837229,0.5633781097937085,0.5576789630594202
EOS-3-06266,CCNC(=O)c1ccc(-c2nnc3cncc(-c4oc(C)nc4-c4cccc(C)n4)n23)cc1,XKAPNRRLVNCALB-UHFFFAOYSA-N,3,1,0.337,62,124,439.479,3.875,5,0.442,0.77,1.0,0.16960797752038928,0.10616989925296416,0.12806695908436708,0.06456891234322527,0.11710343705023643
EOS-3-06267,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)c(Cl)c5)nn4)n23)cc1,FRKRLZGVRMVSQQ-UHFFFAOYSA-N,3,1,0.371,74,997,474.887,3.724,6,0.416,0.85,1.0,0.09206874100472895,0.25177335343705026,0.41637824686450553,0.5698290041806593,0.332512336371736
EOS-3-06268,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cc1,JKGGYBBNSCNIBX-UHFFFAOYSA-N,3,1,0.346,62,139,457.444,3.754,5,0.39,0.84,1.0,0.18639058323624152,0.17538208484682338,0.6016037283256802,0.537009115208005,0.37509637790418754
EOS-3-06269,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccnc(F)c5)ccc4OC)n23)cc1,HEOCYPAKXJZITR-UHFFFAOYSA-N,3,1,0.36,62,139,455.453,3.423,5,0.405,0.82,1.0,0.5688952093756425,0.48069015146323074,0.5088410664108012,0.3522976492358303,0.47768101912137617
EOS-3-06270,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)c(F)c1,ZWOUDVMUWPGAEM-UHFFFAOYSA-N,3,1,0.283,94,219,451.429,2.64,6,0.398,0.74,1.0,0.13146802823658418,0.2468045370433829,0.2910612706462888,0.3489993831814132,0.25458330477691726
EOS-3-06271,Cc1nnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2)o1,KYKGJNXAYOXMJG-UHFFFAOYSA-N,3,1,0.388,52,916,467.493,2.617,6,0.383,0.81,1.0,0.20881879240627785,0.05840929340004112,0.0112569392091015,0.014383866767185251,0.07321722294565142
EOS-3-06272,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(Cl)ccc5F)ns4)n23)cc1,VURDTZKVGNPVDI-UHFFFAOYSA-N,3,1,0.419,96,837,451.874,3.868,5,0.444,0.79,1.0,0.16961654444520594,0.347354533616613,0.44945514358165994,0.5370176821328216,0.37586097594407514
EOS-3-06273,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)cc1,QETFOLMHOJRVLS-UHFFFAOYSA-N,3,1,0.337,3,289,438.43,2.974,6,0.417,0.73,1.0,0.02842505654170379,0.17539065177164007,0.2615824823521349,0.32029161812075935,0.19642245219655952
EOS-3-06274,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6(F)CC6)cc5)n34)c2)n1,CJZVLJBVMJZSHQ-UHFFFAOYSA-N,3,1,0.343,61,269,455.457,2.838,6,0.405,0.76,1.0,0.23639572339113152,0.1471969021999863,0.11986841203481598,0.18427455280652458,0.17193389760811462
EOS-3-06275,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(OC(F)F)nn4)n23)c1,ZKRKADLQKPEGHK-UHFFFAOYSA-N,3,1,0.33,22,356,437.345,2.841,5,0.409,0.79,0.915,0.5188386676718525,0.7129223493934618,0.5626499211842917,0.6334298540196012,0.6069601980673017
EOS-3-06276,O=C(O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccnc(Cl)n5)ccn4)n23)cc1,SLJPXDWQPVVXQE-UHFFFAOYSA-N,3,1,0.388,14,81,443.854,3.586,5,0.409,0.76,1.0,0.3313772188335275,0.14720546912480295,0.4738794462339799,0.3910287163319855,0.33587271263107393
EOS-3-06277,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)noc5C)cc4OC)n23)cn1,DRVXXMTUXIXJKU-UHFFFAOYSA-N,3,1,0.311,82,204,455.478,3.493,5,0.428,0.8,1.0,0.3163936673291755,0.12213864711123296,0.2047066684942773,0.08090603796861079,0.18103625522582412
EOS-3-06278,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c(F)c1,CNAOWLLXCXSAGG-UHFFFAOYSA-N,3,1,0.34,96,648,445.433,3.719,5,0.444,0.73,1.0,0.3502758549790967,0.26715098348296895,0.7347937084504146,0.6829809471592078,0.508800373517922
EOS-3-06279,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)c1,SBWTWOINGKNDOX-UHFFFAOYSA-N,3,1,0.307,30,158,435.426,3.635,6,0.417,0.79,0.991,0.010425947501884723,0.15902782537180454,0.31670207662257555,0.4727486121581797,0.2397261154136111
EOS-3-06280,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,YBZBNNAWUCYZOL-UHFFFAOYSA-N,3,1,0.307,30,979,431.463,3.711,6,0.419,0.8,0.764,0.03452470701117127,0.04317730107600576,0.1679802618052224,0.2331231581111644,0.11970135700089096
EOS-3-06281,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)nc5)n34)nc2)n1,LVZXXVPQLFMABY-UHFFFAOYSA-N,3,1,0.297,70,957,431.463,3.711,6,0.419,0.8,1.0,0.02843362346652046,0.017262353505585634,0.420002056061956,0.3876447810294017,0.21333570351586595
EOS-3-06282,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)nc2)n1,UQQALQHRMGHFSX-UHFFFAOYSA-N,3,1,0.288,30,541,431.463,3.711,6,0.419,0.8,0.806,0.0332396682886711,0.018821533822219176,0.2910698375711055,0.3173017613597423,0.16510820026043452
EOS-3-06283,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cocn5)ccc4F)n23)cc1,OYRROAMGUSDFFN-UHFFFAOYSA-N,3,1,0.517,1,637,444.426,3.524,5,0.427,0.76,1.0,0.8007847303132067,0.44978925364950995,0.679725515728874,0.5339935576725379,0.6160732643410322
EOS-3-06284,CC1CCC(C)N1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)nn1,JCHHLLZRBHBDAR-UHFFFAOYSA-N,3,1,0.329,63,546,443.471,1.755,5,0.502,0.63,0.997,0.06436330614762525,0.03042115002398739,0.008781097937084504,0.0056113357549174145,0.027294222465903642
EOS-3-06285,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccncc4)n23)cc1,GUVFKMVVOFWZGB-UHFFFAOYSA-N,3,1,0.473,89,731,438.451,2.582,5,0.43,0.71,1.0,0.4615602083476115,0.17957131108217395,0.22554999657323008,0.12865807689671716,0.24883489822493318
EOS-3-06286,Cc1ncc(-c2ccc(-c3nnc4cncc(Cc5ccc(Cl)cc5)n34)c(F)c2)nn1,UIBNROPPSOMRSX-UHFFFAOYSA-N,3,1,0.364,14,358,431.862,4.335,5,0.421,0.83,1.0,0.45490370776506067,0.5535861147282571,0.7348022753752314,0.8009903365088068,0.636070608594339
EOS-3-06287,Cc1nnc(-c2nnc3cncc(OCCc4ccnc(N5CCNCC5)n4)n23)s1,OGVKXJDFWATRMF-UHFFFAOYSA-N,3,1,0.38,31,105,424.494,0.772,5,0.475,0.74,0.999,0.05742409704612432,0.00022274004523336303,8.566924816667809e-06,8.566924816667809e-06,0.014415992735247756
EOS-3-06288,COc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)cn1,FTOMJHPJIGJHHD-UHFFFAOYSA-N,3,1,0.62,97,232,445.87,3.884,5,0.388,0.82,1.0,0.8730467411417997,0.9286203824275238,0.582370982112261,0.5234476732232198,0.726871444726201
EOS-3-06289,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)n5)c4)n23)cc1F,TZXYCTBKOHNCET-UHFFFAOYSA-N,3,1,0.333,74,246,464.411,3.017,5,0.388,0.79,1.0,0.0897385374545953,0.1590363922966212,0.5123021040367349,0.4907134534987321,0.3129476218216709
EOS-3-06290,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nn(C)cc4Cl)n23)cc1F,SITRWLHFSTZEQN-UHFFFAOYSA-N,3,1,0.483,90,555,415.816,2.256,4,0.536,0.77,1.0,0.41762901788773904,0.4093276677403879,0.35383112877801387,0.3143204715235419,0.3737770714824207
EOS-3-06291,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nncn5C)n4)n23)cc1,NYXKJCHEGYAWEX-UHFFFAOYSA-N,3,1,0.333,98,890,435.455,2.444,6,0.414,0.73,1.0,0.08477828798574463,0.03966486190117195,0.07490919059694331,0.08434137482009457,0.07092342882598862
EOS-3-06292,NC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)s1,AWAPCRLLLYGLFN-UHFFFAOYSA-N,3,1,0.307,82,155,433.884,3.729,5,0.432,0.78,0.963,0.09453601535192928,0.13608560071276815,0.3386419710780618,0.39103728325680215,0.24007521759989037
EOS-3-06293,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccccn5)nc(C)n4)n23)nc1,MSZFXHXKHKHVCH-UHFFFAOYSA-N,3,1,0.462,33,53,453.466,2.285,5,0.411,0.73,0.997,0.3571636625316976,0.12575388938386678,0.07917551915564389,0.03198033034062093,0.14851835035295732
EOS-3-06294,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cscn5)s4)n23)cc1,HDJUWVIJNUZGLW-UHFFFAOYSA-N,3,1,0.404,14,357,432.534,3.927,5,0.455,0.74,1.0,0.15345932424097047,0.1095367007059146,0.2436690425604825,0.16774895483517235,0.168603505585635
EOS-3-06295,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)cc1Cl,HKJJHCAFJOLPQW-UHFFFAOYSA-N,3,1,0.341,96,648,459.872,4.067,5,0.407,0.84,1.0,0.2956103077239394,0.35711226098279764,0.7219090535261462,0.705126447810294,0.5199395175107944
EOS-3-06296,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(C#N)cc5)cn4)n23)c1,UNUKEZGKGKFRMW-UHFFFAOYSA-N,3,1,0.326,25,791,456.473,3.582,6,0.394,0.8,1.0,0.08704852306216161,0.12576245630868343,0.45994105955726133,0.526797340826537,0.2998873449386608
EOS-3-06297,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccs5)cn4)n23)cc1,JBDZAHPITQGXCM-UHFFFAOYSA-N,3,1,0.38,52,916,452.543,4.398,6,0.413,0.82,1.0,0.13680522239736825,0.08044342402851072,0.22555856349804673,0.27755979713522033,0.18009175176478653
EOS-3-06298,O=C(NC1CC1)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nc4F)n23)nc1,QFIWUBVTFLOKFE-UHFFFAOYSA-N,3,1,0.384,66,455,457.391,3.222,5,0.365,0.83,1.0,0.2790675759029539,0.45426975532862723,0.6797340826536906,0.6159019258446988,0.5072433349324926
EOS-3-06299,Cc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,YLGJKZJKWYBWRW-UHFFFAOYSA-N,3,1,0.3,25,508,446.478,3.414,6,0.405,0.78,1.0,0.12010828592968269,0.07693098485367693,0.265060653827702,0.2863066273730382,0.18710163799602497
EOS-3-06300,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnnn5C)c4)n23)cc1,LOPVAFVLAAPJHJ-UHFFFAOYSA-N,3,1,0.506,89,895,442.443,1.315,5,0.412,0.76,1.0,0.41097251730518813,0.12914639161126723,0.07918408608046056,0.038491193201288465,0.16444854704955109
EOS-3-06301,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)nn1,LGKSIIMQOONQSO-UHFFFAOYSA-N,3,1,0.477,13,374,434.822,3.932,5,0.419,0.79,1.0,0.8113820163114248,0.9118891782605716,0.6077033787951477,0.6366081831265848,0.7418956891234322
EOS-3-06302,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nccn5C)n4)n23)cc1,CNJHMLLWHKZYHA-UHFFFAOYSA-N,3,1,0.474,89,731,441.455,1.92,5,0.424,0.73,1.0,0.41314851620862175,0.19231032828455896,0.07491775752175998,0.027242820917003634,0.1769048557329861
EOS-3-06303,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,DVYAXBQCKJKOAK-UHFFFAOYSA-N,3,1,0.318,42,213,462.477,3.114,6,0.38,0.83,1.0,0.05919745048317456,0.023053594681653074,0.24367760948529915,0.22408505242957988,0.13750342676992666
EOS-3-06304,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cc5cc(C)ncc5n4CC)n23)cc1,QWSZBRUSNZKMTD-UHFFFAOYSA-N,3,1,0.358,52,334,439.523,3.81,5,0.435,0.78,1.0,0.2761548214652868,0.22118943184154616,0.2221317935713796,0.11761531080803235,0.20927283942156122
EOS-3-06305,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)cn4)n23)cn1,CATICLCZSXULBT-UHFFFAOYSA-N,3,1,0.366,96,680,426.455,4.282,5,0.461,0.85,1.0,0.3685919402371325,0.49418305804948254,0.8574035364265643,0.7609999314646014,0.6202946165444452
EOS-3-06306,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)nc1,RVRKFAAYVHEBLD-UHFFFAOYSA-N,3,1,0.348,42,977,447.437,3.906,6,0.4,0.81,1.0,0.31640223425399217,0.37624220409841685,0.4810071276814475,0.4937461448838325,0.4168494277294223
EOS-3-06307,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(OC(F)F)c(F)c4)n23)cn1,DHJUYIYMBUQRMS-UHFFFAOYSA-N,3,1,0.439,66,225,414.347,2.617,4,0.52,0.81,0.998,0.7809437324378041,0.8201545473236926,0.8092916866561579,0.7377578644369817,0.7870369577136591
EOS-3-06308,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(C#N)s5)cn4)n23)cc1,GEMOVBMNFFZKDA-UHFFFAOYSA-N,3,1,0.333,74,333,426.465,2.937,5,0.473,0.73,1.0,0.15346789116578713,0.08717702693441162,0.38009732026591736,0.27153724898910286,0.22306987183880472
EOS-3-06309,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(=O)NCC(F)F)nc4)n23)cc1,XXBRCAAZSQLFLC-UHFFFAOYSA-N,3,1,0.385,63,334,478.463,2.059,5,0.397,0.87,1.0,0.197621821670893,0.1187204441093825,0.08879617572476184,0.08788808169419506,0.1232566307998081
EOS-3-06310,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnccc4-c4cccc(F)c4)n23)cc1,KWKNXTGISFVFLC-UHFFFAOYSA-N,3,1,0.361,25,791,449.453,3.85,6,0.403,0.82,1.0,0.24184428757453225,0.2981375505448564,0.4980039065177164,0.594750188472346,0.4081839832773627
EOS-3-06311,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccnc(-c5ccccc5)c4)n23)cc1,ZQVHTUFOEHYHHI-UHFFFAOYSA-N,3,1,0.447,62,886,420.476,3.737,5,0.451,0.84,1.0,0.18639915016105818,0.08718559385922829,0.44586560208347614,0.40301384415050373,0.2806160475635666
EOS-3-06312,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)ncc4F)n23)cc1,FEXCOLUZUKEANE-UHFFFAOYSA-N,3,1,0.484,89,398,460.429,2.622,5,0.406,0.75,1.0,0.619919813583716,0.3423600164484957,0.2508481255568501,0.14437838393530258,0.33937658488109107
EOS-3-06313,Fc1cnc(-c2cc(Cc3cncc4nnc(-c5cc(Cl)ccc5F)n34)ccn2)nc1,MAUWBSGGBVEYFF-UHFFFAOYSA-N,3,1,0.33,73,260,435.825,4.166,5,0.421,0.81,0.972,0.40649201562607085,0.4989805359468165,0.7750068535398533,0.8458895894729628,0.6315922486464258
EOS-3-06314,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(C)nn5C)nn4)n23)cc1,PNSKFXYSSYPBLZ-UHFFFAOYSA-N,3,1,0.369,52,740,453.51,2.631,5,0.42,0.71,1.0,0.11770098005619903,0.03967342882598862,0.07048865739154273,0.030001370707970668,0.06446610924542526
EOS-3-06315,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1,GILHDFNEUYUQLE-UHFFFAOYSA-N,3,1,0.277,70,957,432.451,3.106,6,0.418,0.75,1.0,0.08267082448084435,0.03968199575080529,0.22933657734219726,0.25055685011308343,0.1505615619217326
EOS-3-06316,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1,RHDDIYLWYVTAML-UHFFFAOYSA-N,3,1,0.324,76,191,432.451,3.106,6,0.418,0.75,1.0,0.08267939140566102,0.04318586800082243,0.1746367623877733,0.1816873415118909,0.12054734082653693
EOS-3-06317,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1,ZTDONIUWAXNUJY-UHFFFAOYSA-N,3,1,0.303,25,791,431.463,3.711,6,0.419,0.79,1.0,0.05064765951614009,0.05435713796175725,0.2764803646083202,0.37497429922555,0.18911486532794186
EOS-3-06318,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)nc1,CJKIVIASLNLKRF-UHFFFAOYSA-N,3,1,0.506,62,310,463.501,4.241,6,0.401,0.86,1.0,0.5394935234048386,0.2517819203618669,0.24015660338564868,0.22728051538619698,0.3146781406346378
EOS-3-06319,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(C)cn5)cc4)n23)c(C)c1,YHTLSCSKCBWPJC-UHFFFAOYSA-N,3,1,0.304,62,124,449.518,4.282,5,0.43,0.8,1.0,0.1642536495099719,0.06967479953395929,0.3313600849838942,0.20683126584881092,0.19302994996915906
EOS-3-06320,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cc1,SOZJVOXOEDNKRB-UHFFFAOYSA-N,3,1,0.342,25,508,453.445,2.583,6,0.4,0.72,1.0,0.21696593790692892,0.3232129394832431,0.215055513672812,0.2659173463093688,0.25528793434308816
EOS-3-06321,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nn1)N1CCCCC1,PHDVGADDBFROHC-UHFFFAOYSA-N,3,1,0.362,52,821,463.505,3.331,6,0.399,0.8,0.996,0.004077856212733877,0.0016876841888835584,0.0014563772188335275,0.008078610102117743,0.0038251319306421764
EOS-3-06322,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnsc5)c(F)c4)n23)cn1,SIADBBOTDAXLDT-UHFFFAOYSA-N,3,1,0.357,82,204,431.456,3.476,5,0.468,0.7,1.0,0.24997429922555,0.22651805907751354,0.4671372764032623,0.4286717839764238,0.3430753546706874
EOS-3-06323,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)c(F)cc5F)cc4)n23)cn1,ABKQOUPFRSZSCC-UHFFFAOYSA-N,3,1,0.361,96,558,446.392,4.037,5,0.42,0.77,1.0,0.33381022548146116,0.4047272291138373,0.9020971831951203,0.9013090261119868,0.6354859159756014
EOS-3-06324,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)c4)n23)cc1,AEFKEVPSRXAZSE-UHFFFAOYSA-N,3,1,0.317,62,302,433.475,3.808,6,0.453,0.74,1.0,0.13930676444383525,0.04319443492563909,0.3538396957028305,0.4190768281817559,0.2388544308135152
EOS-3-06325,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(CO)nc4Cl)n23)nc1,NEUDMJMGFSSNGN-UHFFFAOYSA-N,3,1,0.394,63,108,451.874,2.198,5,0.409,0.84,0.998,0.40868514837913783,0.2619679939688849,0.13100541429648413,0.1759132341854568,0.24439294770749093
EOS-3-06326,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)cnc4F)n23)cc1Cl,NUTRPJFIICVCGF-UHFFFAOYSA-N,3,1,0.33,61,413,464.852,2.196,5,0.401,0.76,1.0,0.26320163114248507,0.2931687341511891,0.2364556918648482,0.27450140497566994,0.2668318655335481
EOS-3-06327,Cc1cc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,IBOWWFPQPQGCNE-UHFFFAOYSA-N,3,1,0.458,0,646,415.472,3.916,5,0.518,0.85,1.0,0.382453224590501,0.3132581728462751,0.42001062298677266,0.4695531492015626,0.3963187924062778
EOS-3-06328,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5C#N)s4)n23)cn1,UIIPEEUERKRGRU-UHFFFAOYSA-N,3,1,0.337,82,204,438.476,3.208,5,0.457,0.72,1.0,0.21408745116852854,0.16682372695497225,0.25791583853060107,0.1978188609416764,0.2091614693989446
EOS-3-06329,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ncc(F)cn5)c4)n23)cn1,YMCOGGOQPAAFNE-UHFFFAOYSA-N,3,1,0.406,85,260,427.403,1.867,5,0.449,0.69,0.998,0.2169745048317456,0.15904495922143788,0.1431447467617024,0.12660201494071688,0.1614415564389007
EOS-3-06330,COc1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ncc(F)cn1,GKEBIGVAXVLYDT-UHFFFAOYSA-N,3,1,0.489,49,896,447.405,3.509,5,0.39,0.8,0.998,0.8596737715029813,0.6593105338907546,0.522462476869303,0.46956171612637926,0.6277521245973545
EOS-3-06331,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)c(F)c2)n1C,LPIVFYKZNSQWHL-UHFFFAOYSA-N,3,1,0.361,61,336,444.474,3.324,5,0.453,0.74,0.998,0.2956188746487561,0.38555445137413474,0.4705554794051127,0.3080580494825577,0.3649467137276403
EOS-3-06332,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccon5)cc4)n23)c1,DJYCGXYMSXMQKG-UHFFFAOYSA-N,3,1,0.324,25,791,421.424,3.304,6,0.426,0.83,1.0,0.09454458227674593,0.06219587416900829,0.2544376670550339,0.30488828730039064,0.17901660270029468
EOS-3-06333,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)nc1,CUGMAOLZBLPGFD-UHFFFAOYSA-N,3,1,0.333,38,193,450.441,3.245,6,0.402,0.75,1.0,0.2736361455691865,0.32322150640805974,0.3239753957919265,0.3910458501816188,0.32796972448769784
EOS-3-06334,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cc5F)ns4)n23)cn1,YJFIIESLZKXROR-UHFFFAOYSA-N,3,1,0.357,82,155,436.407,2.749,5,0.459,0.71,0.995,0.1976303885957097,0.3373397985059283,0.2221403604961963,0.2953018984305394,0.2631031115070934
EOS-3-06335,N#Cc1ccc(-c2nnc3cncc(CCc4ccc(Br)cc4F)n23)cc1,JNOUUYDXVIEAHG-UHFFFAOYSA-N,3,1,0.524,48,646,422.261,4.35,4,0.491,0.8,1.0,0.6823127270235076,0.8547392228085806,0.9304879720375574,0.9434154615859092,0.8527388458638887
EOS-3-06336,OCc1nc(Cl)cc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)n1,BVYHFXNMKFIUDR-UHFFFAOYSA-N,3,1,0.329,96,140,433.834,3.595,5,0.432,0.79,1.0,0.27364471249400313,0.41875985196353915,0.6016122952504969,0.7110890274826948,0.5012764717976834
EOS-3-06337,Cc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cn(-c4ccc(F)nc4)nn3)n12,FWHJIVPEMPCRSO-UHFFFAOYSA-N,3,1,0.283,74,997,456.445,2.169,6,0.399,0.76,1.0,0.03192892879172093,0.1434959906791858,0.03539853334247139,0.06288979507915839,0.06842831197313413
EOS-3-06338,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c(-c2ccncc2)n1,PNAPAJOKSPWQHH-UHFFFAOYSA-N,3,1,0.304,25,213,447.466,2.809,6,0.401,0.77,1.0,0.08974710437941197,0.06220444109382496,0.10060139812213008,0.11762387773284902,0.09254420533205401
EOS-3-06339,CC1(C)COCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cc1,QZBUWHFBFNDXHO-UHFFFAOYSA-N,3,1,0.388,0,901,456.506,2.808,5,0.505,0.7,1.0,0.15613220478377082,0.004600438626550614,0.07271605784387636,0.06609382496059214,0.07488563155369748
EOS-3-06340,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)ncc4F)n23)cc1,RJCZGIUGFVNCRE-UHFFFAOYSA-N,3,1,0.49,89,731,456.441,2.721,5,0.414,0.73,1.0,0.6086628743746145,0.3855630182989514,0.23646425878966487,0.15194297854842026,0.34565828250291275
EOS-3-06341,COc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,ZKDZJYWTVWUXNG-UHFFFAOYSA-N,3,1,0.35,9,774,447.462,3.709,6,0.425,0.76,1.0,0.17788362689329038,0.12915495853608389,0.5427660886848057,0.48761222671509835,0.33435422520731956
EOS-3-06342,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)cn1,MOVLXOCECWYCQF-UHFFFAOYSA-N,3,1,0.354,32,522,449.453,3.85,6,0.403,0.81,1.0,0.16682372695497225,0.277362757864437,0.4532074566513604,0.5000685353985334,0.3493656192173258
EOS-3-06343,Cc1ccccc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cn1,ATFRVRILQHRNST-UHFFFAOYSA-N,3,1,0.286,25,213,446.478,3.414,6,0.405,0.77,1.0,0.04031594818723871,0.06623089575765884,0.18418888355835789,0.22728908231101363,0.12950620245356725
EOS-3-06344,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccc(F)c5)cn4)n23)cc1,BSYWKWJQMQYQDT-UHFFFAOYSA-N,3,1,0.437,62,319,464.504,4.475,6,0.401,0.88,1.0,0.2282571448152971,0.2112003975053115,0.5014906449181002,0.5885220341306284,0.38236755534233435
EOS-3-06345,NC(=O)c1ccc(-c2nnc3cncc(COCc4ccc(-c5csnn5)cn4)n23)cc1,OSDUGEJEXYESSN-UHFFFAOYSA-N,3,1,0.438,14,357,444.48,2.52,5,0.405,0.76,1.0,0.19763895552052635,0.0769395517784936,0.2150640805976287,0.14438695086011924,0.15850738468919195
EOS-3-06346,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncs5)cn4)n23)cc1,RLRLEIZUFKXXPA-UHFFFAOYSA-N,3,1,0.506,89,731,430.453,2.383,5,0.434,0.74,1.0,0.45025186758961006,0.2517904872866836,0.17114145706257283,0.09967617024192996,0.2432149955451991
EOS-3-06347,Cn1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,SOKVEVYJWQGOJK-UHFFFAOYSA-N,3,1,0.551,43,258,445.418,1.799,5,0.417,0.73,1.0,0.6427335343705024,0.36652731135631555,0.28006133918168735,0.2097354533616613,0.37476440956754165
EOS-3-06348,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cn5)n34)cc2)cn1C,GQWTZTRPFLCIPL-UHFFFAOYSA-N,3,1,0.32,98,882,448.494,3.358,6,0.407,0.77,1.0,0.13147659516140087,0.10617846617778082,0.18419745048317457,0.13742204098416833,0.13981863820163115
EOS-3-06349,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)cc1,UDMSYDSVKSDIHW-UHFFFAOYSA-N,3,1,0.277,25,213,437.492,3.772,6,0.414,0.8,1.0,0.04469364676855596,0.08045199095332739,0.22556713042286342,0.292294907819889,0.16075191899115893
EOS-3-06350,Cn1cc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)cn1,WKHUYAJCEKITRO-UHFFFAOYSA-N,3,1,0.432,92,860,445.418,1.799,5,0.417,0.74,1.0,0.3824617915153177,0.31326673977109176,0.18740148036460832,0.12450311836063327,0.25190828250291275
EOS-3-06351,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnccc5Cl)c4)n23)cc1,FAZOSESLAINVIJ-UHFFFAOYSA-N,3,1,0.36,62,3,440.894,4.533,5,0.443,0.81,1.0,0.2684103214310191,0.24173291755191556,0.7774826948118704,0.7635357412103352,0.5127904187512851
EOS-3-06352,Cc1cccc(-c2ncsc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,FBJSJFUWVJBMBA-UHFFFAOYSA-N,3,1,0.33,52,582,453.531,4.177,6,0.429,0.83,1.0,0.09698615584949627,0.09333664587759578,0.08880474264957851,0.11991981358371599,0.09976183949009663
EOS-3-06353,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(C)c(F)c5)cn4)n23)cc1,NCZWAKKVDVINBS-UHFFFAOYSA-N,3,1,0.432,62,637,454.465,4.453,5,0.422,0.85,1.0,0.8034490439311904,0.49419162497429925,0.7634672058118018,0.613134809128915,0.6685606709615516
EOS-3-06354,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cn5)n34)cc2)n1,UMFIJYKWBYNQCX-UHFFFAOYSA-N,3,1,0.315,98,882,434.467,3.049,6,0.42,0.73,1.0,0.08268795833047769,0.06221300801864163,0.22214892742101294,0.195043177301076,0.14052326776780205
EOS-3-06355,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)cn1,SDTFFVAVPOPFBP-UHFFFAOYSA-N,3,1,0.324,98,882,434.467,3.049,6,0.42,0.73,1.0,0.055607908984990746,0.04320300185045576,0.28383935302583785,0.23906860393393187,0.15542971694880406
EOS-3-06356,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc5ccc(C(F)(F)F)nc45)n23)cc1C,SSLFJTHGHSPSKC-UHFFFAOYSA-N,3,1,0.31,66,542,464.411,3.483,5,0.435,0.77,0.998,0.3338187924062778,0.332396682886711,0.7904358851346721,0.6067695839901309,0.515855236104448
EOS-3-06357,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccnn5)n4)n23)cc1,MEPNTSKQVFHADF-UHFFFAOYSA-N,3,1,0.33,74,295,435.451,2.598,6,0.447,0.68,1.0,0.16962511137002262,0.027654033308203686,0.07707662257556028,0.11763244465766569,0.09799705297786307
EOS-3-06358,N#Cc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,PKCSYAZCZZDNPA-UHFFFAOYSA-N,3,1,0.326,64,144,442.446,3.368,6,0.407,0.76,0.441,0.0372318552532383,0.03042971694880406,0.2688043999725858,0.362183880474265,0.17466246316222328
EOS-3-06359,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccc4F)n23)cc1,CABXJUHWSWSAIY-UHFFFAOYSA-N,3,1,0.551,89,230,441.426,3.065,5,0.43,0.73,1.0,0.8191008155712426,0.3713333561784662,0.7164090877938455,0.609836543074498,0.6291699506545131
EOS-3-06360,CN(C)C(=O)c1ncc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cn1,QSNZCOUKRJRFDV-UHFFFAOYSA-N,3,1,0.442,68,811,428.815,2.05,4,0.475,0.68,1.0,0.5038551161675006,0.4542783222534439,0.11987697895963265,0.10394249880063053,0.2954882290453019
EOS-3-06361,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,UEIMLGCEEARGBU-UHFFFAOYSA-N,3,1,0.312,38,608,432.451,3.106,6,0.418,0.73,1.0,0.12290110341991639,0.06968336645877596,0.20471523541909395,0.20683983277362758,0.15103488451785346
EOS-3-06362,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5cc(F)cc(F)c5)cn4)n23)nc1,OTSOOOUSPBTRCR-UHFFFAOYSA-N,3,1,0.303,74,776,470.443,3.481,6,0.419,0.78,0.982,0.16150366664382154,0.19687649921184291,0.33506956342951133,0.4665204578164622,0.2899925467754095
EOS-3-06363,CC1(NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5Cl)n34)c(F)c2)CC1,JGKUWPHVKXINFN-UHFFFAOYSA-N,3,1,0.394,0,999,464.888,3.632,5,0.468,0.78,1.0,0.3457011171269961,0.34736310054142966,0.37650777876773356,0.487620793639915,0.38929819751901856
EOS-3-06364,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)s4)n23)cn1)N1CCOCC1,FIWUQZMWRQGODU-UHFFFAOYSA-N,3,1,0.364,52,229,470.518,2.844,6,0.394,0.83,1.0,0.020671989582619423,0.00215029812898362,0.003358234528133781,0.008789664861901173,0.008742546775409499
EOS-3-06365,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(Cl)cn5)n34)nc2)CC1,AURTXKSOCVZFDR-UHFFFAOYSA-N,3,1,0.385,63,505,419.876,3.108,5,0.533,0.75,0.999,0.1285124391748338,0.17539921869645672,0.0602768830100747,0.16259166609553835,0.13169505174422588
EOS-3-06366,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)nn5)nn4)n23)cc1,YHSALEGNXUCRTL-UHFFFAOYSA-N,3,1,0.4,85,740,428.391,1.262,5,0.436,0.67,0.838,0.15881365225138785,0.14350455760400246,0.07272462476869303,0.06610239188540881,0.11028630662737304
EOS-3-06367,NC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnn5)s4)n23)cc1,RNRCYBYATFVLGV-UHFFFAOYSA-N,3,1,0.511,72,226,431.441,1.778,5,0.425,0.75,1.0,0.384749160441368,0.20176821328216024,0.030361181550270715,0.019601123980535946,0.1591199198135837
EOS-3-06368,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)cc1,YGUDYMDAFWNHST-UHFFFAOYSA-N,3,1,0.347,9,641,435.451,3.787,6,0.402,0.83,1.0,0.10692378863683093,0.09018401754506203,0.08632890137756151,0.1152851072578987,0.09968045370433828
EOS-3-06369,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)c1,JOVKLYHMDRDWLB-UHFFFAOYSA-N,3,1,0.313,25,213,450.441,3.245,6,0.376,0.81,1.0,0.18088205057912413,0.2566565005825509,0.3574806387499143,0.41286580768967174,0.3019712494003153
EOS-3-06370,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)ncn4)n23)cc1,YYYTXNFSYPGBLN-UHFFFAOYSA-N,3,1,0.448,89,463,442.443,1.315,5,0.412,0.73,1.0,0.420053457610856,0.16289150846412173,0.06230724419162498,0.023610444794736483,0.1672156637653348
EOS-3-06371,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncn5C)nc4OC)n23)cc1F,ODQWTFFRDPHZKY-UHFFFAOYSA-N,3,1,0.327,74,768,458.457,2.761,5,0.431,0.75,1.0,0.42940853951065727,0.337348365430745,0.3538482626276472,0.20974402028647796,0.33258729696388184
EOS-3-06372,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(F)c1,MECBXIHJLWEXKW-UHFFFAOYSA-N,3,1,0.738,23,406,469.879,4.237,5,0.438,0.84,1.0,0.7399338633404153,0.582884997601261,0.734810842300048,0.8096429305736413,0.7168181584538414
EOS-3-06373,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)n2)cn1,DQBVESZBZWAYBV-UHFFFAOYSA-N,3,1,0.365,33,53,468.481,1.848,6,0.379,0.82,1.0,0.14761668151600302,0.08392159550407785,0.024886916592419987,0.019609690905352615,0.06900872112946338
EOS-3-06374,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,LBKPPGWTOYUWBX-UHFFFAOYSA-N,3,1,0.464,89,398,466.505,3.058,6,0.392,0.82,0.998,0.3085120964978411,0.11543931190459873,0.11386299773833185,0.09968473716674663,0.15937478582687958
EOS-3-06375,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5cccnc5F)n4)n23)cc1F,SNWNWBWOKNSJQU-UHFFFAOYSA-N,3,1,0.33,74,736,462.395,3.087,5,0.409,0.76,1.0,0.28461037625933794,0.33240524981152764,0.5530121307655405,0.5305582208210541,0.42514649441436503
EOS-3-06376,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cnn1,GGGGSXREWOGYMC-UHFFFAOYSA-N,3,1,0.289,98,112,434.427,1.896,6,0.404,0.74,1.0,0.05393735864574053,0.04321156877527243,0.05094750188472346,0.06965766568432595,0.054438523747515594
EOS-3-06377,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(Cl)nc(-c5cnn(C)c5)c4)n23)cc1F,FUEXBROBFNGWGO-UHFFFAOYSA-N,3,1,0.337,74,413,462.876,3.406,5,0.41,0.77,1.0,0.21698307175656226,0.2314526077719142,0.6167586183263656,0.5600541429648414,0.40631211020492086
EOS-3-06378,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)n2)c1,WXSMHBFNKCRTSD-UHFFFAOYSA-N,3,1,0.278,30,298,435.426,3.635,6,0.417,0.77,0.402,0.021605784387636214,0.14351312452881915,0.35002741415941335,0.4816667808923309,0.2492032759920499
EOS-3-06379,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnoc5)n4)n23)cc1F,PGZFLYGKZPKMBE-UHFFFAOYSA-N,3,1,0.453,16,788,446.402,2.314,5,0.417,0.73,1.0,0.45711397436776097,0.38557158522376805,0.32757350421492704,0.2331317250359811,0.35084769721060927
EOS-3-06380,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cccc(-c4ccc(F)nc4)n3)n12,DUONYIHFEPCPJH-UHFFFAOYSA-N,3,1,0.333,96,139,425.427,3.462,5,0.441,0.77,0.999,0.17216948804057294,0.2160150092522788,0.5427746556096223,0.46957028305119597,0.35013235898841755
EOS-3-06381,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5nnn(C)n5)cc4Cl)n23)cc1,LQQODCAKMCSBHI-UHFFFAOYSA-N,3,1,0.414,85,784,460.889,1.981,5,0.421,0.74,1.0,0.17789219381810706,0.23632718799259816,0.08393872935371119,0.0792526214789939,0.1443526831608526
EOS-3-06382,Cc1cc(-c2nnc3cncc(OCc4cnc(F)c(Br)c4)n23)ccc1F,QBIPHZKNJZGZML-UHFFFAOYSA-N,3,1,0.584,90,555,432.228,4.114,4,0.454,0.77,1.0,0.9050356384072373,0.841811733260229,0.9217754094990063,0.8974282091700363,0.8915127475841274
EOS-3-06383,Cc1ncccc1-c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)nc1,VTHOUKIDGWWBCG-UHFFFAOYSA-N,3,1,0.296,50,243,434.385,4.033,5,0.423,0.78,0.899,0.2983859913645398,0.3278476458090604,0.8845863888698513,0.8009989034336235,0.5779547323692688
EOS-3-06384,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cn4)n23)cc1,LDALQCCOKHDZJG-UHFFFAOYSA-N,3,1,0.273,39,495,451.429,2.64,6,0.398,0.76,1.0,0.17488520320745665,0.2619765608937016,0.12535124391748337,0.19782742786649304,0.19001010897128368
EOS-3-06385,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ncc(F)cn4)cc3)n12,XSFHVLNUMKDSDZ-UHFFFAOYSA-N,3,1,0.389,9,553,449.453,3.85,6,0.403,0.8,1.0,0.16426221643478855,0.25179905421150023,0.23647282571448153,0.29847166061270647,0.2377514392433692
EOS-3-06386,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)cn2)cn1,SKRKQHDFUOUGID-UHFFFAOYSA-N,3,1,0.337,94,515,449.453,3.85,6,0.403,0.8,1.0,0.17217805496538963,0.28774587074223834,0.5762798985676102,0.5885306010554452,0.40618360633267087
EOS-3-06387,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nc5)nc4)n23)cc1,LIXPAQNEXXIVBX-UHFFFAOYSA-N,3,1,0.534,89,731,458.869,2.975,5,0.384,0.78,1.0,0.8438249605921458,0.5168768418888355,0.4020886162703036,0.33299636762387774,0.5239466965937907
EOS-3-06388,Cn1cnc(-c2ccc(-c3nnc4cncc(CCc5cccc(F)c5)n34)c(F)c2)cc1=O,JRQYKTAQRYGCNG-UHFFFAOYSA-N,3,1,0.408,14,358,444.445,3.615,5,0.414,0.81,1.0,0.36176410115824825,0.4848279761496813,0.7295250496881639,0.7532468645055171,0.5823409978754027
EOS-3-06389,Fc1cccnc1-c1ccc(-c2nnc3cncc(COc4ccc(Cl)nn4)n23)cn1,ODQMAIVPDMBPMI-UHFFFAOYSA-N,3,1,0.381,24,767,434.822,3.41,5,0.414,0.79,1.0,0.6199283805085326,0.6445411555068192,0.4532160235761771,0.4969159070659996,0.553650366664382
EOS-3-06390,OCc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(F)cn5)c4)n23)cc1,GZGKBOBLZUAXOP-UHFFFAOYSA-N,3,1,0.57,1,230,428.427,3.459,5,0.442,0.79,1.0,0.9082311013638544,0.7623363717360017,0.8134380782674251,0.7430350901240491,0.8067601603728326
EOS-3-06391,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4C(F)F)n23)cc1,LOHNLPXPIGATMW-UHFFFAOYSA-N,3,1,0.57,90,12,414.347,2.941,4,0.52,0.8,1.0,0.8244465766568433,0.572262010828593,0.8153313686519087,0.6710557878144061,0.7207739359879377
EOS-3-06392,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1F,VTQOAQVBWOMUFU-UHFFFAOYSA-N,3,1,0.728,23,721,469.879,4.237,5,0.438,0.83,1.0,0.7668425741895689,0.5535946816530738,0.7348194092248647,0.8163851004043589,0.7179104413679666
EOS-3-06393,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4OC)n23)cn1,VTMXSYXURJKRGJ-UHFFFAOYSA-N,3,1,0.304,82,336,439.439,2.074,5,0.437,0.69,1.0,0.3802172572133507,0.11544787882941539,0.19771605784387636,0.1039510657254472,0.1993330649030224
EOS-3-06394,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(OC)nc5)n4)n23)cc1,VJIXJNXGSDWXQW-UHFFFAOYSA-N,3,1,0.333,74,333,439.439,2.074,5,0.437,0.69,1.0,0.2846189431841546,0.10618703310259749,0.14606606812418615,0.06457747926804194,0.15036238091974505
EOS-3-06395,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)n1,ALSJVRPCRXNURP-UHFFFAOYSA-N,3,1,0.29,98,866,437.431,1.234,6,0.395,0.76,1.0,0.08975567130422864,0.08046055787814406,0.018273250633952437,0.020346446439586045,0.0522089815639778
EOS-3-06396,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)nn4)n23)c(C)c1,KBPVGSZYZIZUCW-UHFFFAOYSA-N,3,1,0.327,52,740,451.494,2.687,5,0.418,0.69,1.0,0.1368137893221849,0.033582345281337814,0.0931738743060791,0.05401446096909054,0.07939611746967308
EOS-3-06397,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4F)n23)cc1,HURJKRBOGHJUDI-UHFFFAOYSA-N,3,1,0.333,25,50,450.441,3.245,6,0.402,0.76,1.0,0.2549859502433007,0.32785621273387705,0.394935234048386,0.4506887807552601,0.3571165444452059
EOS-3-06399,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)nn1,SMXFEDHFDQMRDC-UHFFFAOYSA-N,3,1,0.38,52,916,463.505,2.83,6,0.408,0.75,1.0,0.08705708998697828,0.033590912206154476,0.05095606880954013,0.06139915016105819,0.05825080529093277
EOS-3-06400,Cc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)nc1,MWVWMDVVUWDLPF-UHFFFAOYSA-N,3,1,0.374,96,139,425.427,3.462,5,0.472,0.72,1.0,0.19223322596120895,0.2211979987663628,0.5886848057021452,0.5037351792200672,0.376462802412446
EOS-3-06401,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(C)nn5)cn4)n23)cc1C,MOSKGDXIHODIJJ-UHFFFAOYSA-N,3,1,0.388,85,357,451.494,2.606,5,0.432,0.7,1.0,0.12290967034473306,0.0432201357000891,0.1085258035775478,0.052643752998423686,0.0818248406551984
EOS-3-06402,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cccc(F)c5)c4)n23)cc1,UGNCQIIIEDZQJI-UHFFFAOYSA-N,3,1,0.429,83,3,427.414,4.502,5,0.458,0.84,1.0,0.27907614282777055,0.26198512781851824,0.9207131108217395,0.9202761976560894,0.5955126447810294
EOS-3-06403,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5noc(C)n5)nn4)n23)cc1,GNPKOAKNBNVLFG-UHFFFAOYSA-N,3,1,0.478,89,926,443.427,1.878,5,0.412,0.76,1.0,0.3663474059351655,0.1968850661366596,0.04569597697210609,0.016679802618052224,0.15640206291549588
EOS-3-06404,Cc1nc(-c2cccnc2)ncc1Cc1cncc2nnc(-c3ccc(C(N)=O)s3)n12,JRSDVDYFCLTLMS-UHFFFAOYSA-N,3,1,0.379,85,60,428.481,2.703,5,0.456,0.72,0.886,0.0897642382290453,0.017270920430402303,0.040984168322938795,0.029110410527037216,0.044282434377355906
EOS-3-06405,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cc1,MKQPKUYEVHNZAK-UHFFFAOYSA-N,3,1,0.342,25,508,434.467,3.049,6,0.42,0.74,1.0,0.115019532588582,0.03969056267562196,0.19072544719347542,0.20975258721129464,0.1387970324172435
EOS-3-06406,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(C(=O)O)nc4)n23)c1,QKYHPNSXIISIPP-UHFFFAOYSA-N,3,1,0.324,61,917,417.364,1.881,5,0.464,0.81,1.0,0.1748937701322733,0.2212065656911795,0.1552840792269207,0.1469056267562196,0.1745725104516483
EOS-3-06407,Cn1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)c1,GMPVWFUTNUEEEJ-UHFFFAOYSA-N,3,1,0.551,89,230,443.442,3.009,5,0.432,0.75,1.0,0.6942892879172092,0.3665358782811322,0.6493900349530533,0.5037437461448838,0.5534897368240697
EOS-3-06408,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cn1,AJGKUFNFJLHPAQ-UHFFFAOYSA-N,3,1,0.315,30,522,431.463,3.711,6,0.419,0.8,1.0,0.09699472277431294,0.05436570488657391,0.27648893153313686,0.31118497704064146,0.1847585840586663
EOS-3-06409,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,KSVAJDWOHRUMBA-UHFFFAOYSA-N,3,1,0.315,30,522,431.463,3.711,6,0.419,0.8,1.0,0.0970032896991296,0.05437427181139058,0.2764974984579535,0.3111935439654582,0.18476715098348295
EOS-3-06410,Cc1nc(-c2ccc(F)cn2)cc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)n1,BZFPSNDJFXDWOT-UHFFFAOYSA-N,3,1,0.349,82,155,427.403,2.252,5,0.461,0.68,0.999,0.2418528544993489,0.17076451237063944,0.15529264615173738,0.13743060790898498,0.17633515523267768
EOS-3-06411,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccnc(-c5cccnc5)n4)n23)cc1,MWITWWNZZOPKRM-UHFFFAOYSA-N,3,1,0.305,64,449,447.437,3.906,6,0.4,0.79,0.915,0.2929031594818724,0.36654444520594887,0.357489205674731,0.4477074909190597,0.366161075320403
EOS-3-06412,Cc1cccc(-c2ncncc2-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)c1,GXGXEQFQTYDAIQ-UHFFFAOYSA-N,3,1,0.31,62,376,465.492,4.018,6,0.398,0.86,1.0,0.2712031389212528,0.19689363306147625,0.24016517031046536,0.34253992186964566,0.26270046604071
EOS-3-06413,Cc1ncc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)cn2)cn1,FHPRSOLZFHFWRD-UHFFFAOYSA-N,3,1,0.297,39,972,450.441,3.339,6,0.402,0.76,1.0,0.012764717976835035,0.09334521280241245,0.30190699746419025,0.3425484887944623,0.187641354259475
EOS-3-06414,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)cc1,BXIFKRTWWKYWTL-UHFFFAOYSA-N,3,1,0.362,67,973,455.873,2.883,6,0.398,0.77,1.0,0.05230964293057364,0.26199369474333495,0.1403005277225687,0.2505654170379001,0.17629232060859434
EOS-3-06416,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)ccc1Cl,ARHWFJGFVWLYBV-UHFFFAOYSA-N,3,1,0.538,51,756,434.822,3.41,5,0.414,0.76,1.0,0.8988674525392365,0.960001028030978,0.6106504009320814,0.6422195188815023,0.7779346000959495
EOS-3-06417,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)n5)c4)n23)nc1,BPSFHGNAPMYXLD-UHFFFAOYSA-N,3,1,0.284,33,432,447.409,2.272,5,0.397,0.73,0.923,0.04470221369337263,0.05841786032485779,0.20472380234391063,0.18428311973134123,0.12303174902337058
EOS-3-06418,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccsc5)n4)n23)cc1,ICXRRLWHIVSWSF-UHFFFAOYSA-N,3,1,0.506,89,731,429.465,2.988,5,0.44,0.76,1.0,0.5215629497635529,0.24681310396819958,0.22215749434582963,0.14194537728736892,0.28311973134123775
EOS-3-06419,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)cc1,LHEZFYDHVWZFSX-UHFFFAOYSA-N,3,1,0.314,98,882,435.455,2.444,6,0.414,0.73,1.0,0.12852100609965048,0.06969193338359263,0.09318244123089575,0.09168322938797889,0.09576965252552944
EOS-3-06420,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)cc1,MYFKLJBVNXXNBJ-UHFFFAOYSA-N,3,1,0.345,62,582,451.465,3.947,6,0.407,0.82,1.0,0.20591460489342744,0.21120896443012815,0.4200191899115893,0.47566136659584674,0.3282010314577479
EOS-3-06421,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4Cl)n23)nc1,IXZOCQLJRHVVJM-UHFFFAOYSA-N,3,1,0.413,90,244,413.8,2.312,4,0.535,0.78,0.997,0.4888458638886985,0.40473579603865395,0.3574977725995477,0.3265797409361935,0.3944147933657734
EOS-3-06422,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncccn5)ccc4OC)n23)cc1,OVAAVWMIBXICFS-UHFFFAOYSA-N,3,1,0.512,89,637,467.489,3.196,5,0.388,0.85,1.0,0.5215715166883695,0.18364060037009114,0.4240456445754232,0.20074874922897676,0.3325016277157152
EOS-3-06423,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)n1C,XJMZPRZSFSMTHP-UHFFFAOYSA-N,3,1,0.495,89,926,441.455,1.968,5,0.422,0.72,0.999,0.35028442190391335,0.12916352546090057,0.047315125762456306,0.02122883969570283,0.13699797820574328
EOS-3-06424,Cc1ccnc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)n1,RUYYRQXDALRPQF-UHFFFAOYSA-N,3,1,0.296,42,957,443.474,4.076,6,0.401,0.82,1.0,0.10936536220958125,0.0622215749434583,0.287548831471455,0.29531046535535604,0.18861155849496264
EOS-3-06425,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)s1,LEAXGEDTRQVDNX-UHFFFAOYSA-N,3,1,0.578,63,683,457.918,4.159,5,0.45,0.76,0.999,0.46156877527242823,0.15905352614625454,0.31281269275580836,0.4695788499760126,0.35075346103762595
EOS-3-06426,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccccn5)n4)n23)cc1,YSCWOKUSFONYFB-UHFFFAOYSA-N,3,1,0.31,10,507,436.414,3.03,6,0.414,0.74,0.97,0.0294873552189706,0.1668322938797889,0.2330460557878144,0.32974950311836065,0.18977880200123365
EOS-3-06427,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cc1,CADNEKNRCBXMBI-UHFFFAOYSA-N,3,1,0.528,89,731,452.478,2.972,5,0.4,0.75,1.0,0.44314131999177575,0.1795798780069906,0.20115996162017682,0.0996933040915633,0.2308936159276266
EOS-3-06428,Cc1cnc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n[nH]2)cn1,BBCBFRHEBILCQD-UHFFFAOYSA-N,3,1,0.291,98,882,436.443,2.137,6,0.44,0.74,0.999,0.04173805770680557,0.05842642724967446,0.04245767939140566,0.03729182372695497,0.044978497018710165
EOS-3-06429,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1,PIRBUZOZHMALGN-UHFFFAOYSA-N,3,1,0.582,48,17,411.824,3.522,4,0.543,0.89,1.0,0.9436039339318758,0.7541035569871839,0.8333818792406278,0.7711431704475361,0.8255581351518059
EOS-3-06430,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c(F)c1,BMRNDKQZMZYGKV-UHFFFAOYSA-N,3,1,0.438,36,760,446.406,1.194,5,0.405,0.73,1.0,0.4687821259680625,0.2671595504077856,0.1310139812213008,0.10815742581043108,0.24377827085189502
EOS-3-06431,CCc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3C)n12,KISAOTKTPXQANI-UHFFFAOYSA-N,3,1,0.265,63,66,428.5,3.148,6,0.506,0.74,0.969,0.03193749571653759,0.033599479130971145,0.002210266602700295,0.0035724076485504764,0.017829912274689875
EOS-3-06433,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnsc5)cn4)n23)cc1F,AVEOSTKRPVJKRQ-UHFFFAOYSA-N,3,1,0.406,14,357,445.483,3.399,5,0.445,0.69,1.0,0.2632101980673018,0.23633575491741485,0.47056404632992943,0.4000753889383867,0.34254634706325815
EOS-3-06434,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cnnc(C)c5)ccn4)n23)cc1,ABGFMEXLGDTMPB-UHFFFAOYSA-N,3,1,0.375,14,357,436.479,2.902,5,0.451,0.66,1.0,0.21409601809334522,0.05438283873620725,0.30914604893427455,0.18978308546364198,0.19185199780686724
EOS-3-06435,O=C(O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(F)c5F)n4)n23)nc1,DGBHOQXWKSFLMA-UHFFFAOYSA-N,3,1,0.292,29,704,432.35,2.682,5,0.455,0.71,0.958,0.32114831060242616,0.12917209238571722,0.3840124049071345,0.36219244739908163,0.2991313138235899
EOS-3-06437,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c1,LDRNTQPCWUINDR-UHFFFAOYSA-N,3,1,0.364,25,508,440.402,2.838,6,0.407,0.77,1.0,0.290101775066822,0.3278647796586937,0.280069906106504,0.3363289013775615,0.3085913405523953
EOS-3-06438,CCCCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NCC)cc4)n23)cn1,DRBICGOIUDQJTI-UHFFFAOYSA-N,3,1,0.394,63,334,415.501,3.264,4,0.474,0.84,1.0,0.13148516208621752,0.027662600233020355,0.028219450346103764,0.01282468645055171,0.05004797477897334
EOS-3-06439,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)o1,YXBUBQHNCVPKAF-UHFFFAOYSA-N,3,1,0.319,98,882,436.439,3.007,6,0.41,0.75,1.0,0.060970803920224796,0.0697005003084093,0.11107018024809814,0.09752587211294633,0.08481683914741964
EOS-3-06440,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1Cl,YNHSIXHGSVYJAG-UHFFFAOYSA-N,3,1,0.333,61,648,460.86,3.462,5,0.437,0.73,1.0,0.3594081968336646,0.3521177438146803,0.6904684394489754,0.6942635871427593,0.5240644918100199
EOS-3-06441,COc1cc(-c2cnc(C)nn2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,QXOMGNXYLZPSIX-UHFFFAOYSA-N,3,1,0.333,61,697,456.441,2.865,5,0.427,0.72,1.0,0.4615773421972449,0.4047443629634706,0.43884929065862516,0.32030018504557606,0.4063677952162292
EOS-3-06442,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)c(F)c1,NTGAFGKDZRFOCH-UHFFFAOYSA-N,3,1,0.433,66,225,412.375,3.213,4,0.544,0.82,0.995,0.3363117675279282,0.4141765471866219,0.8367915153176616,0.7163062846960455,0.5758965286820643
EOS-3-06443,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nncn5C)c4)n23)cc1,BGOSNROLNBYRPK-UHFFFAOYSA-N,3,1,0.489,36,571,442.443,1.315,5,0.412,0.74,1.0,0.4549122746898773,0.1435216914536358,0.06830409156329244,0.03092659858817079,0.1744161640737441
EOS-3-06444,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)cc1F,UADQVBDHQKRWBD-UHFFFAOYSA-N,3,1,0.337,3,673,455.432,3.718,6,0.402,0.79,0.999,0.030686724693304093,0.24682167089301624,0.6578884243711877,0.6942721540675759,0.40741724350627095
EOS-3-06445,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nnc(-c5cnc(F)cn5)s4)n23)cc1,USHXAEVMHIWYNB-UHFFFAOYSA-N,3,1,0.365,74,295,459.47,2.798,6,0.426,0.77,0.996,0.0945531492015626,0.1512404907134535,0.03417346309368789,0.07352991570145981,0.08837425467754095
EOS-3-06446,Cc1ncc(-c2cccc(-c3nnc4cncc(Cc5ccc(F)c(Cl)c5)n34)c2)nn1,CXLQNMHMJCBPLD-UHFFFAOYSA-N,3,1,0.379,14,358,431.862,4.335,5,0.421,0.82,1.0,0.40006682201357,0.48069871838804745,0.7564508943869509,0.8010074703584401,0.6095559762867521
EOS-3-06447,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccc(C)nn4)n23)cc1,YRLNNSTXLXWNIP-UHFFFAOYSA-N,3,1,0.489,89,398,452.478,2.89,5,0.418,0.74,1.0,0.4314988691659242,0.17958844493180728,0.2118429168665616,0.10816599273524775,0.23277405592488523
EOS-3-06448,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccnc4-c4cccnc4)n23)cn1,WJZULKSHGZKESR-UHFFFAOYSA-N,3,1,0.456,97,879,424.424,2.321,5,0.439,0.78,1.0,0.48632718799259816,0.1969021999862929,0.1907340141182921,0.13502330203550134,0.25224667603317114
EOS-3-06449,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(F)c1,DIOKZGZIHXKZCY-UHFFFAOYSA-N,3,1,0.336,10,39,438.43,2.974,6,0.417,0.74,1.0,0.021614351312452883,0.21121753135494484,0.29107840449592215,0.3586286066753478,0.22063472345966692
EOS-3-06450,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)ccc1Cl,XIKWRSOZXSAJNV-UHFFFAOYSA-N,3,1,0.667,23,370,433.27,4.351,4,0.49,0.78,1.0,0.9772291138372969,0.982360701802481,0.9681310396819958,0.9763210198067301,0.9760104687821259
EOS-3-06451,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5ncnc(-c6ccccn6)n5)n34)cn2)c1,ICXWPSIUOKJBPV-UHFFFAOYSA-N,3,1,0.395,94,136,448.425,3.301,6,0.4,0.75,1.0,0.19764752244534303,0.3473716674662463,0.21507264752244534,0.28631519429785485,0.2616017579329724
EOS-3-06452,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnc5)n4)n23)cc1,JRGTYUIEUQNILE-UHFFFAOYSA-N,3,1,0.429,14,357,456.897,3.247,5,0.432,0.71,1.0,0.16427078335960524,0.23146117469673086,0.38771331642793505,0.3457268179014461,0.28229302309642934
EOS-3-06453,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc6ccccn56)c4)n23)cc1,DTJBXUPYBNBTSH-UHFFFAOYSA-N,3,1,0.31,62,302,472.512,4.06,7,0.406,0.88,1.0,0.14210814885888562,0.03969912960043863,0.22216606127064628,0.3203087519703927,0.1810705229250908
EOS-3-06454,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4noc(-c5cccnc5)n4)n23)cc1,CCECJBZFKGQTPU-UHFFFAOYSA-N,3,1,0.333,94,515,437.398,3.499,6,0.408,0.8,0.999,0.26841888835583577,0.33735693235556163,0.2910869714207388,0.39105441710643546,0.32197930230964295
EOS-3-06455,Cc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)cc1,WKJOKJDWWVKUKH-UHFFFAOYSA-N,3,1,0.304,98,289,434.467,3.143,6,0.42,0.73,1.0,0.017776368994585703,0.02084332807895278,0.1711500239873895,0.1704818038516894,0.09506288122815434
EOS-3-06456,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)n1,WGJFHRHBXRXKSB-UHFFFAOYSA-N,3,1,0.303,38,787,432.451,3.106,6,0.418,0.77,1.0,0.06831265848810911,0.06970906723322597,0.1777979576451237,0.21582653690631212,0.13291155506819274
EOS-3-06457,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cn1,MZYRPYOSSIEFML-UHFFFAOYSA-N,3,1,0.276,30,179,432.451,3.106,6,0.418,0.77,0.509,0.05920601740799123,0.020851895003769445,0.14030909464738536,0.19258446987869235,0.1032378692344596
EOS-3-06458,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)nc1,HQJLPOQJHKCKAM-UHFFFAOYSA-N,3,1,0.31,98,866,434.427,1.896,6,0.404,0.73,1.0,0.11196970735384826,0.05843499417449113,0.09111781235007882,0.11764101158248236,0.09479088136522514
EOS-3-06459,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnnc(C5CCOCC5)n4)n23)cc1,DSBRTFZKGYTNDQ-UHFFFAOYSA-N,3,1,0.389,78,334,416.445,1.56,5,0.518,0.78,1.0,0.03724042217805497,0.001696251113700226,0.0035124391748338015,0.00617675279281749,0.012156466314851622
EOS-3-06460,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccncn5)cc4C)n23)cn1,GZLMRQQPQGEYIF-UHFFFAOYSA-N,3,1,0.429,7,205,453.466,2.285,5,0.411,0.75,1.0,0.42471386471112327,0.23146974162154754,0.12807552600918373,0.05550510588719074,0.2099410595572613
EOS-3-06461,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)o4)n23)cc1F,JBISXXMMYQAWGT-UHFFFAOYSA-N,3,1,0.357,76,423,414.4,3.612,5,0.482,0.91,1.0,0.29562744157357274,0.34236858337331233,0.5594287574532246,0.48483654307449797,0.42056533136865193
EOS-3-06462,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cccnc5F)n4)n23)cc1,QUIHWVMLHMIDTA-UHFFFAOYSA-N,3,1,0.381,62,916,465.492,3.87,6,0.382,0.84,1.0,0.1615122335686382,0.18364916729490782,0.3019155643890069,0.3586371736001645,0.2514285347131794
EOS-3-06463,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)s4)n23)cc1F,ZMQABHXYXQCWTN-UHFFFAOYSA-N,3,1,0.388,85,60,446.471,2.794,5,0.442,0.68,1.0,0.287446028373655,0.2314783085463642,0.2875573983962717,0.24766122952504968,0.26353574121033513
EOS-3-06464,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ncnc(-c4ccnnc4)n3)n12,JQZKXAUANNJFFJ-UHFFFAOYSA-N,3,1,0.303,29,849,466.465,2.001,6,0.394,0.8,1.0,0.21162874374614488,0.05844356109930779,0.03540710026728806,0.033119731341237746,0.08464978411349461
EOS-3-06465,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)nn1,SCOGGWGHSXADOK-UHFFFAOYSA-N,3,1,0.356,62,302,465.492,4.255,6,0.417,0.84,1.0,0.23345726817901447,0.2620022616681516,0.42002775683640603,0.4633335617846618,0.3447052121170585
EOS-3-06466,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5Cc6cccc(F)c6C5)cc4)n23)cn1,FYTCTWZCMKLIQP-UHFFFAOYSA-N,3,1,0.465,62,504,479.475,3.247,6,0.423,0.86,1.0,0.2684274552806525,0.24683023781783292,0.24017373723528201,0.29230347474470564,0.26193372626961825
EOS-3-06467,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ncc(C)nn5)c4)n23)cc1F,OCYCSHVXPGEIPW-UHFFFAOYSA-N,3,1,0.333,74,413,455.457,2.903,5,0.429,0.7,1.0,0.1895089438695086,0.22121513261599615,0.18420601740799122,0.14691419368103625,0.18546107189363303
EOS-3-06468,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)nc1,QPQVTSDXLDSXBG-UHFFFAOYSA-N,3,1,0.507,96,121,435.369,4.051,5,0.411,0.82,1.0,0.6913508327050922,0.8241124665889932,0.8731238434651497,0.8545164827633472,0.8107759063806457
EOS-3-06469,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)n23)cc1,JXQBYNCQYXHMTL-UHFFFAOYSA-N,3,1,0.448,0,21,486.507,2.962,6,0.466,0.98,1.0,0.20318175587691042,0.08719416078404496,0.01745082585155233,0.08261085600712768,0.09760939962990886
EOS-3-06470,Cc1noc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,ILIKFGVMDJGMHP-UHFFFAOYSA-N,3,1,0.535,89,656,428.412,2.223,5,0.43,0.77,1.0,0.4741021862792132,0.14721403604961963,0.17115859091220614,0.08605475978342814,0.2196323932561168
EOS-3-06471,COc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)nc1,YTTVLNLOZLVVCS-UHFFFAOYSA-N,3,1,0.333,52,582,463.501,3.816,6,0.408,0.82,1.0,0.352409019258447,0.1257710232335001,0.3239839627167432,0.2923120416695223,0.27361901171955316
EOS-3-06472,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)n5C)n34)cc2)nn1,ALGDCXCNORZPMC-UHFFFAOYSA-N,3,1,0.313,8,474,435.455,2.444,6,0.414,0.74,1.0,0.04606435473922281,0.0470238503186896,0.06231581111644164,0.08261942293194435,0.0595058597765746
EOS-3-06473,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)nc1,ZUZUQBPINRQXGE-UHFFFAOYSA-N,3,1,0.325,98,213,451.429,2.64,6,0.398,0.73,1.0,0.24998286615036666,0.27737132478925364,0.17464532931258994,0.21292234939346172,0.228730467411418
EOS-3-06474,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(C(=O)O)cn4)n23)n1C,LZTRWZPQOTVHQF-UHFFFAOYSA-N,3,1,0.301,22,140,429.415,3.4,5,0.466,0.75,0.989,0.17490233705709,0.12214721403604963,0.26159104927695154,0.23603591254883147,0.19866912822973068
EOS-3-06475,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnc(C)nn5)cc4F)n23)cn1,WEZQVEWPPYHYFM-UHFFFAOYSA-N,3,1,0.378,82,374,457.429,2.638,5,0.423,0.73,1.0,0.657648550476321,0.5034610376259337,0.2364813926392982,0.15732300733328763,0.3887284970187101
EOS-3-06476,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)cnn5)c4)n23)cc1,URIRTDFVDYRXCY-UHFFFAOYSA-N,3,1,0.35,74,246,415.392,1.933,5,0.477,0.8,1.0,0.012773284901651702,0.11545644575423206,0.2838479199506545,0.22729764923583032,0.15984382496059213
EOS-3-06477,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)cc1F,VBAKCHDSJIXMKS-UHFFFAOYSA-N,3,1,0.326,74,450,415.392,1.933,5,0.477,0.8,1.0,0.028442190391337125,0.12215578096086628,0.3840209718319512,0.3048968542252073,0.20987894935234047
EOS-3-06478,CCn1nc(-c2cccc(F)c2F)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cn3)n12,QBEIDOWSOUGSOE-UHFFFAOYSA-N,3,1,0.324,33,523,461.436,2.77,5,0.428,0.72,1.0,0.1642793502844219,0.23148687547118085,0.11708416146939894,0.135031868960318,0.16197056404632992
EOS-3-06479,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cnn(C)n5)cn4)n23)cc1,IBTOUHZRQCWJBE-UHFFFAOYSA-N,3,1,0.417,85,357,443.446,2.071,5,0.442,0.66,1.0,0.18640771708587486,0.21602357617709547,0.25085669248166675,0.16517887739017204,0.20461671578370227
EOS-3-06480,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnn5)cc4Cl)n23)cc1,IQYRXVSKSXBVCR-UHFFFAOYSA-N,3,1,0.506,89,398,460.885,2.964,5,0.414,0.82,1.0,0.5162857240764855,0.4093362346652046,0.5224710437941197,0.4286803509012405,0.4691933383592626
EOS-3-06481,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)nc4)n23)cc1F,ABYRCSPSAKPDPH-UHFFFAOYSA-N,3,1,0.457,16,707,458.417,1.511,5,0.397,0.75,1.0,0.6642536495099719,0.390291960797752,0.17780652456994037,0.11764957850729901,0.33750042834624083
EOS-3-06482,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccoc5)c4)n23)cc1,RFSILQIZIUHTPY-UHFFFAOYSA-N,3,1,0.573,89,230,443.438,4.129,5,0.424,0.81,1.0,0.8341957370982113,0.44979782057432666,0.7969296141457063,0.679776917277774,0.6901750222740046
EOS-3-06483,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cc1F,RZOHSGLAVXDABO-UHFFFAOYSA-N,3,1,0.516,4,770,442.414,2.46,5,0.424,0.72,1.0,0.5661452265094922,0.34738023439106297,0.30192413131382356,0.23604447947364815,0.3628735179220067
EOS-3-06484,CC1CCC(Oc2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2)CC1,CHGSSUILJRUEGG-UHFFFAOYSA-N,3,1,0.349,0,546,469.549,4.098,6,0.453,0.82,1.0,0.2819374957165376,0.09335377972722911,0.01919847851415256,0.0860633267082448,0.12013827016654102
EOS-3-06485,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)c(F)c1,UQGRRRGCYVTLFY-UHFFFAOYSA-N,3,1,0.489,66,12,472.402,3.815,5,0.429,0.86,1.0,0.5689037763004592,0.587913782468645,0.9009406483448701,0.8561613323281475,0.7284798848605304
EOS-3-06486,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cc1,REYSBDUMZAIHGP-UHFFFAOYSA-N,3,1,0.333,25,508,452.457,3.188,6,0.405,0.74,1.0,0.24729285175793297,0.28775443766705505,0.335078130354328,0.3653793434308821,0.3088761908025495
EOS-3-06487,Cc1cc(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)n(C)n2)on1,KERAWVYWGXKKCJ-UHFFFAOYSA-N,3,1,0.308,33,647,455.482,2.366,6,0.413,0.77,1.0,0.04741792886025632,0.050621958741690086,0.01591734630936879,0.014923583030635323,0.03222020423548763
EOS-3-06488,CCNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ncccn5)cn4)n23)cc1,FMOIQSOLRFJKNP-UHFFFAOYSA-N,3,1,0.393,14,886,450.506,3.178,5,0.405,0.76,1.0,0.12557398396271674,0.05063052566650675,0.12808409293400042,0.07546604071002673,0.09493866081831265
EOS-3-06489,NC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccnc(Cl)c4)n23)cc1,HMSKEMYPBPVVNG-UHFFFAOYSA-N,3,1,0.409,96,139,433.884,3.729,5,0.432,0.8,0.996,0.09940202864779658,0.18365773421972448,0.39494380097320264,0.41594133369885544,0.2734862243848948
EOS-3-06490,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cccnc4F)n23)nc1,BIMTWEZBLADBDU-UHFFFAOYSA-N,3,1,0.299,33,432,453.441,2.737,6,0.403,0.76,1.0,0.1976560893701597,0.19231889520937565,0.07708518950037695,0.13743917483380166,0.15112483722842848
EOS-3-06492,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)cc(C(F)(F)F)c4)n23)cn1,QKDSLPZGXQDWRZ-UHFFFAOYSA-N,3,1,0.433,66,225,416.338,3.034,4,0.516,0.77,0.994,0.3755311493386334,0.4807072853128641,0.9593242409704612,0.9149904050442054,0.682638270166541
EOS-3-06493,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)nc4)n23)cc1,GSJSLDQSTAINPZ-UHFFFAOYSA-N,3,1,0.432,9,553,449.453,3.85,6,0.403,0.78,1.0,0.16428791720923858,0.2722740045233363,0.48444246453293127,0.50007710232335,0.355270372147214
EOS-3-06494,Cc1ncc(-c2nnc3cncc(-c4cnn(-c5cnn(C)c5)c4)n23)c(-c2ccc(F)cc2)n1,WHWDJTORXTTXQJ-UHFFFAOYSA-N,3,1,0.315,42,151,452.457,3.282,6,0.404,0.78,1.0,0.010434514426701392,0.1360941676375848,0.35750633952436434,0.35864574052498116,0.2156701905284079
EOS-3-06495,Cc1c(F)ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1OC(C)C,KOEAGPUNSJWOBT-UHFFFAOYSA-N,3,1,0.353,0,862,445.498,4.585,5,0.47,0.85,0.994,0.4176375848125557,0.3762507710232335,0.5158830786101021,0.44771605784387636,0.4393718730724419
EOS-3-06496,COc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)cn2)nc1,MNAOIUQZJYTWQB-UHFFFAOYSA-N,3,1,0.394,50,450,431.391,1.681,5,0.443,0.72,0.996,0.19766465629497634,0.3030635323144404,0.23648995956411487,0.15733157425810432,0.22363743060790897
EOS-3-06497,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)s4)n23)cc1F,GSZXKRPVDBBWIG-UHFFFAOYSA-N,3,1,0.33,52,423,456.506,4.613,6,0.417,0.88,1.0,0.15614077170858748,0.26201082859296826,0.33136865190871084,0.4378812281543417,0.2968503700911521
EOS-3-06498,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c(F)c1,YJEFEOGJACCJMO-UHFFFAOYSA-N,3,1,0.329,25,508,455.482,3.911,6,0.397,0.82,1.0,0.19487183880474265,0.29814611746967307,0.357514906449181,0.41594990062367215,0.3166206908368172
EOS-3-06499,Cc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,VMGLJYOJPWHBLZ-UHFFFAOYSA-N,3,1,0.536,73,335,430.859,3.579,5,0.416,0.79,1.0,0.8007932972380234,0.9214070317318895,0.3167106435473922,0.34900795010622987,0.5969797306558838
EOS-3-06500,Cc1nc(Cc2cncc3nnc(-c4ccc(OC(F)F)c(C#N)c4)n23)cnc1Cl,LTYJLWRPZOFERJ-UHFFFAOYSA-N,3,1,0.447,68,455,427.802,3.607,4,0.479,0.71,1.0,0.6642622164347886,0.7129309163182784,0.8528716331985471,0.8402782537180453,0.7675857549174148
EOS-3-06501,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3nccnc3-c3ccc(F)cc3F)n12,BKKMQIZNGSBQKW-UHFFFAOYSA-N,3,1,0.378,96,837,443.417,3.601,5,0.454,0.71,0.999,0.2659087793845521,0.2877630045918717,0.6340638064560346,0.6217874031937496,0.452380748406552
EOS-3-06502,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccccc5OC)ccn4)n23)cc1F,YSEQIKRMLMZGGS-UHFFFAOYSA-N,3,1,0.374,62,802,454.465,4.028,5,0.431,0.79,1.0,0.4526334726886437,0.45428688917826054,0.6986926872729765,0.5761256939209102,0.5454346857651977
EOS-3-06503,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,VPNQVZPWOVTDLY-UHFFFAOYSA-N,3,1,0.324,25,791,431.463,3.711,6,0.419,0.78,1.0,0.10190357069426359,0.08393016242889452,0.3313772188335275,0.38765334795421835,0.226216074977726
EOS-3-06504,CNC(=O)c1ccc(-c2nnc3cncc(CCc4nccc(-c5cnccn5)n4)n23)nc1,AVUKSBLPNKLGCM-UHFFFAOYSA-N,3,1,0.337,33,580,438.455,1.578,5,0.419,0.7,0.946,0.12011685285449934,0.020860461928586115,0.024895483517236652,0.012370639435268315,0.0445608594338976
EOS-3-06505,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nncn5C)c4)n23)nc1,GRTQQVMIQWDGLJ-UHFFFAOYSA-N,3,1,0.284,98,765,435.455,2.444,6,0.414,0.72,1.0,0.03580974573367144,0.033608046055787814,0.09555547940511275,0.10817455966006442,0.06828695771365911
EOS-3-06506,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)cc1,BKWCEVMHSMMMTK-UHFFFAOYSA-N,3,1,0.472,89,408,465.477,2.51,6,0.385,0.8,1.0,0.3870793639915016,0.14353025837845246,0.08394729627852786,0.08434994174491124,0.1747267150983483
EOS-3-06507,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,KGEFQILBAFWOEJ-UHFFFAOYSA-N,3,1,0.495,89,398,466.505,3.058,6,0.392,0.82,1.0,0.23904290315948187,0.0901925844698787,0.16798882873003906,0.1397693783839353,0.15924842368583372
EOS-3-06508,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)nc5)n34)cc2)o1,PLXPOXKLNKIIGL-UHFFFAOYSA-N,3,1,0.289,25,303,436.439,3.007,6,0.41,0.76,1.0,0.12852957302446713,0.10619560002741416,0.12809265985881707,0.12661058186553356,0.12235710369405797
EOS-3-06509,N#CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(C5CC5)n4)n23)cn1,ZGBWDYALDAIWLH-UHFFFAOYSA-N,3,1,0.319,63,66,429.419,2.303,5,0.461,0.73,1.0,0.25254437667055035,0.2363443218422315,0.017459392776368994,0.038499760126105134,0.13621196285381398
EOS-3-06510,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)c5)ns4)n23)cc1F,JDKHUMLPKARXFJ-UHFFFAOYSA-N,3,1,0.407,96,837,465.901,4.129,5,0.428,0.84,1.0,0.20592317181824413,0.3184497292851758,0.427480981426907,0.5069563429511342,0.3647025563703653
EOS-3-06511,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccnnc5)nc4)n23)cc1,DMNUSUWKJZBVIM-UHFFFAOYSA-N,3,1,0.28,8,765,433.439,2.501,6,0.412,0.74,1.0,0.13682235624700156,0.05845212802412446,0.15530121307655403,0.16775752175998904,0.12958330477691726
EOS-3-06512,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)n2)n1,OIHJRIOOOHNUOZ-UHFFFAOYSA-N,3,1,0.287,76,176,433.439,2.501,6,0.412,0.74,0.993,0.0447107806181893,0.017279487355218972,0.029290315948187238,0.050150777876773356,0.03535784044959221
EOS-3-06513,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nccc(C(F)(F)F)n5)cc4)n23)cc1,FAAHNMXRUWNPLG-UHFFFAOYSA-N,3,1,0.404,62,3,461.407,4.033,5,0.433,0.79,1.0,0.36860050716194914,0.3373654992803783,0.915076074292372,0.792140703173189,0.6032956959769721
EOS-3-06514,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)cn1C,SZUUTDCJFJEXLC-UHFFFAOYSA-N,3,1,0.33,62,302,449.518,4.059,6,0.437,0.79,1.0,0.18366630114454116,0.09020115139469537,0.23649852648893152,0.23314029196079775,0.18587656774724146
EOS-3-06515,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncon5)ncn4)n23)cc1,HWYXRESFRUHCTK-UHFFFAOYSA-N,3,1,0.457,89,463,429.4,1.57,5,0.422,0.75,1.0,0.4336063326708245,0.20621444726201082,0.09319100815571242,0.03974196422452197,0.1931884380782674
EOS-3-06516,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)nc1,BOCHJQGMBCTLMK-UHFFFAOYSA-N,3,1,0.354,25,791,449.453,3.85,6,0.403,0.8,1.0,0.24999143307518334,0.37134192310328284,0.43102768830100746,0.5404187512850387,0.3981949489411281
EOS-3-06517,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(F)c(C(F)(F)F)c4)n23)cc1,INIMIUAJFLKWQC-UHFFFAOYSA-N,3,1,0.394,66,264,456.403,3.827,5,0.365,0.85,1.0,0.3432509766294291,0.43225275854979095,0.8963830443424029,0.8511925159344802,0.6307698238640258
EOS-3-06518,Cc1nnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cn2)o1,OFABRQGRPWLXBU-UHFFFAOYSA-N,3,1,0.347,33,580,427.428,1.824,5,0.428,0.73,0.124,0.06437187307244191,0.010057569734768007,0.027037214721403604,0.01493214995545199,0.02909970187101638
EOS-3-06519,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(N6CCCC6)cn5)n34)cn2)ccn1,ROGRBNQCNQDKMJ-UHFFFAOYSA-N,3,1,0.306,82,845,439.458,3.445,6,0.393,0.79,1.0,0.21163731067096156,0.15124905763827018,0.013964087451168528,0.08435850866972791,0.11530224110753204
EOS-3-06520,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cccc(Cl)n5)n4)n23)cc1,PYVPZKLXGUTJNB-UHFFFAOYSA-N,3,1,0.505,89,731,458.869,2.975,5,0.384,0.81,1.0,0.7096412171886779,0.45429545610307726,0.28756596532108836,0.25057398396271674,0.4255191556438901
EOS-3-06521,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nc(C)n2)cn1,XJHGQZWTETVZGD-UHFFFAOYSA-N,3,1,0.471,18,531,424.468,3.277,5,0.409,0.81,1.0,0.534687478582688,0.25666506750736756,0.22217462819546296,0.15447022136933727,0.2919993489137139
EOS-3-06522,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncn5C(C)C)ccc4F)n23)cc1,SCISNTCZFSAMLU-UHFFFAOYSA-N,3,1,0.359,62,124,455.497,4.401,5,0.424,0.86,1.0,0.257658830786101,0.2017767802069769,0.72436776094853,0.5441025289562059,0.4319764752244535
EOS-3-06523,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)nn1,DMHWBUCEMHOFAO-UHFFFAOYSA-N,3,1,0.369,52,310,464.489,3.636,6,0.404,0.81,1.0,0.37792132136248374,0.15125762456308683,0.16172640668905489,0.13744774175861832,0.20708827359331095
EOS-3-06524,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cc(F)cc(F)c5)n4)n23)cc1,KKUJOTZOWMBTPV-UHFFFAOYSA-N,3,1,0.329,67,890,456.42,3.113,6,0.401,0.73,1.0,0.04607292166403948,0.22122369954081283,0.4200363237612227,0.4907220204235488,0.29451374134740593
EOS-3-06525,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cc1,BNAPLPIIMXAUAS-UHFFFAOYSA-N,3,1,0.329,38,42,450.441,3.245,6,0.402,0.76,1.0,0.23346583510383112,0.23149544239599754,0.29841169213898977,0.3015214858474402,0.2662236138715647
EOS-3-06526,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(F)ccn5)n4)n23)cc1,BLRPDNVEECJQST-UHFFFAOYSA-N,3,1,0.462,89,731,456.441,2.721,5,0.414,0.71,1.0,0.542192104722089,0.35212631073949696,0.36489959564114866,0.26592591323418546,0.38128598108423006
EOS-3-06527,Cc1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)ncn2)nn1C,VJWDMOUMKQEARU-UHFFFAOYSA-N,3,1,0.384,74,768,429.419,2.195,5,0.463,0.69,0.999,0.10191213761908026,0.2062230141868275,0.23305462271263108,0.1677660886848057,0.17723896580083615
EOS-3-06528,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4F)n23)cc1,PDRGBEFOXBXRNH-UHFFFAOYSA-N,3,1,0.35,25,745,453.445,2.583,6,0.4,0.74,1.0,0.20056027688301006,0.337374066205195,0.215081214447262,0.2715458159139195,0.25614034336234665
EOS-3-06529,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cccc(Cl)c4F)n23)cn1,BXELDYVLRQTHMQ-UHFFFAOYSA-N,3,1,0.34,82,961,460.86,3.462,5,0.437,0.72,0.948,0.3313857857583442,0.342377150298129,0.42004489068603934,0.4570625728188609,0.3877175998903434
EOS-3-06530,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1,GEOBBMLMQNDHKZ-UHFFFAOYSA-N,3,1,0.517,90,12,462.819,3.553,4,0.451,0.72,1.0,0.8937187307244192,0.6985470495510931,0.895217942567336,0.847560139812213,0.8337609656637653
EOS-3-06531,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cc4F)n23)nc1,ICPORFQCUJHXQK-UHFFFAOYSA-N,3,1,0.333,33,647,467.468,2.66,6,0.404,0.74,0.998,0.1668322938797889,0.1707730792954561,0.1942978548420259,0.2627218833527517,0.19865627784250564
EOS-3-06532,Cc1ncc(Cl)cc1Cc1cncc2nnc(-c3ccc(OC(F)F)c(CO)c3)n12,MUHXYNXKQPBAPR-UHFFFAOYSA-N,3,1,0.465,66,225,431.83,3.833,4,0.499,0.73,1.0,0.7124597354533616,0.7266979644986635,0.9361592762661914,0.9070231649647043,0.8205850352957301
EOS-3-06533,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncc(C)c5)c4)n23)cc1,IQIBMIRXGOYVBT-UHFFFAOYSA-N,3,1,0.561,89,656,451.49,3.495,5,0.421,0.77,1.0,0.5887704749503119,0.2112260982797615,0.5193098485367692,0.3393615927626619,0.4146670036323761
EOS-3-06534,Cc1ccc(-c2nnc3cncc(-c4cccc(C(=O)Nc5ccc(F)c(F)c5F)n4)n23)cn1,PPZRGUUOBKENMR-UHFFFAOYSA-N,3,1,0.454,96,140,461.407,4.226,5,0.403,0.84,1.0,0.17218662189020628,0.3030720992392571,0.77501542046467,0.7110975944075115,0.49034293400041123
EOS-3-06535,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1,GCUMPRZLSSDFQX-UHFFFAOYSA-N,3,1,0.827,48,378,468.344,4.612,5,0.429,0.89,1.0,0.5973973682406963,0.41418511411143855,0.6135545884449318,0.7241792886025632,0.5873290898499075
EOS-3-06536,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncnn6C)n5)n34)cc2)n1,RDEUIWXEWAVXPD-UHFFFAOYSA-N,3,1,0.303,98,865,434.467,3.049,6,0.42,0.74,1.0,0.07831025974916044,0.03970769652525529,0.16173497361387157,0.15195154547323692,0.10792611884038104
EOS-3-06537,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)no4)n23)cn1,RGNPHVKFSMZJJL-UHFFFAOYSA-N,3,1,0.4,82,155,419.792,2.051,5,0.431,0.82,0.794,0.18951751079432527,0.2518076211363169,0.07492632444657665,0.09970187101637996,0.1539883318483997
EOS-3-06538,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cn(-c4cncnn4)nn3)n12,FAALEMVMSHGLGG-UHFFFAOYSA-N,3,1,0.336,74,295,455.442,1.125,6,0.394,0.73,0.998,0.049174148447673226,0.03971626345007196,0.019207045438969228,0.019618257830169284,0.03192892879172093
EOS-3-06539,Cc1ccncc1-n1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5(F)CC5)cc4)n23)cn1,KEXCTNMSVJMURS-UHFFFAOYSA-N,3,1,0.312,74,246,454.469,3.537,6,0.408,0.79,0.989,0.0387739017202385,0.12918065931053388,0.28385648687547116,0.32031731889520937,0.19303209170036323
EOS-3-06540,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)cc(Cl)n5)no4)n23)cc1,IIHHXQOTBUYDJG-UHFFFAOYSA-N,3,1,0.373,74,837,450.821,3.055,5,0.414,0.76,1.0,0.29011034199163865,0.33241381673634435,0.28007847303132066,0.30153005277225686,0.30103317113289013
EOS-3-06541,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,WRQWEHBCLSCJLP-UHFFFAOYSA-N,3,1,0.58,36,391,436.838,3.353,5,0.417,0.75,1.0,0.7809522993626208,0.8610958810225482,0.569580563360976,0.6067781509149476,0.7046017236652731
EOS-3-06542,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5cc(F)ccn5)n4)n23)cc1,VFSBXPQHOBXCPR-UHFFFAOYSA-N,3,1,0.353,74,139,444.405,2.948,5,0.454,0.66,1.0,0.29291172640668905,0.2265266260023302,0.4020971831951203,0.37173600164484955,0.3233178843122473
EOS-3-06543,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)c(F)c4)n23)cc1,XYEXAOPSPFFKMM-UHFFFAOYSA-N,3,1,0.325,25,508,452.457,3.188,6,0.405,0.75,1.0,0.2790847097525872,0.3521348776643136,0.39495236789801935,0.42868891782605717,0.36371521828524433
EOS-3-06544,COc1cc(-c2nnc3cncc(OCc4ncnn4C)n23)ccc1-c1cccc(F)c1,DMZZNCMUMONMKA-UHFFFAOYSA-N,3,1,0.456,43,936,431.431,3.314,5,0.407,0.76,1.0,0.5602854499348914,0.5631039681995751,0.4635134672058118,0.4159584675484888,0.5007153382221918
EOS-3-06545,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1Cl,FLPCJUKIZADISI-UHFFFAOYSA-N,3,1,0.701,48,378,468.344,4.612,5,0.429,0.9,1.0,0.7607343567952848,0.5775906380645603,0.5695891302857926,0.7323949695017477,0.6600772736618463
EOS-3-06546,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5noc(C6CC6)n5)nn4)n23)cn1,UOYQUCHOLOTZCG-UHFFFAOYSA-N,3,1,0.295,52,66,466.465,2.463,7,0.395,0.85,0.998,0.06622232883284217,0.05846069494894113,0.001978959632650264,0.004377698581317251,0.0327599204989377
EOS-3-06547,N#Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nn5)c4)n23)cc1,GFZASWBBHCFWOD-UHFFFAOYSA-N,3,1,0.518,43,805,440.854,3.747,5,0.406,0.76,1.0,0.9358337331231581,0.9214155986567062,0.7138561441984785,0.7216177780823796,0.8231808135151807
EOS-3-06548,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)o1,UCFGTLXHHQCZCV-UHFFFAOYSA-N,3,1,0.459,89,398,468.477,3.016,6,0.382,0.85,1.0,0.36389726543759854,0.09956480021931327,0.04570454389692276,0.04344287574532246,0.13815237132478927
EOS-3-06549,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)cc6)n5)n34)cc2)n1C,NWPOFKXWTGXDBO-UHFFFAOYSA-N,3,1,0.341,3,973,452.457,3.282,6,0.404,0.75,1.0,0.07617709546981016,0.22653519292714688,0.2401823041600987,0.2804639846480707,0.2058396443012816
EOS-3-06550,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccncc5F)n4)n23)cc1,GRVDZLBKNYFIAX-UHFFFAOYSA-N,3,1,0.356,52,423,451.465,3.947,6,0.435,0.75,1.0,0.24426872729764923,0.18800116510177506,0.380105887190734,0.45707113974367763,0.317361729833459
EOS-3-06551,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cnc(COC)nc5)ccn4)n23)cc1,IUMVQODFWCYTKD-UHFFFAOYSA-N,3,1,0.365,14,357,466.505,2.74,5,0.389,0.76,1.0,0.26843602220546914,0.10296586937153039,0.24368617641011583,0.12451168528544994,0.18489993831814133
EOS-3-06552,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(C)nn5C)s4)n23)cc1,IWULPOWIPJZTHH-UHFFFAOYSA-N,3,1,0.35,74,423,429.509,3.588,5,0.472,0.72,1.0,0.09941059557261325,0.08046912480296073,0.2082962099924611,0.11529367418271537,0.12586740113768763
EOS-3-06553,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)c2)nn1C,RPVVMDHMUCJACJ-UHFFFAOYSA-N,3,1,0.536,43,521,433.422,3.752,5,0.42,0.8,1.0,0.560294016859708,0.5168854088136523,0.5854807758207115,0.5666164073744089,0.5573191522171201
EOS-3-06554,Cn1c(-c2cnc(Cl)cn2)nnc1-c1cncc2nnc(-c3ccc(F)cc3F)n12,SSDCTAMHAITXNL-UHFFFAOYSA-N,3,1,0.408,22,311,425.79,2.975,5,0.438,0.76,0.943,0.21975875539716264,0.49898910287163317,0.3091546158590912,0.5305667877458707,0.3896173154684395
EOS-3-06555,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4F)n23)cc1,YOIVJAMVNXZKHY-UHFFFAOYSA-N,3,1,0.383,83,472,423.451,4.624,5,0.458,0.9,1.0,0.3211568775272428,0.34238571722294564,0.8350181618806113,0.8032091700363237,0.5754424816667809
EOS-3-06556,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)cc1F,PDADCEUMVAIJKF-UHFFFAOYSA-N,3,1,0.367,93,472,423.451,4.624,5,0.458,0.9,1.0,0.3617726680830649,0.3423942841477623,0.8225618531971763,0.807406963196491,0.5835339421561236
EOS-3-06557,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)cn4)n23)nc1,UMIIIXAPEAJIFI-UHFFFAOYSA-N,3,1,0.447,33,53,453.466,2.367,5,0.394,0.73,0.999,0.3410578438763621,0.10954526763073127,0.0727331916935097,0.03417346309368789,0.13937744157357274
EOS-3-06558,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)nc1,GKFZCMXGVWRNAU-UHFFFAOYSA-N,3,1,0.312,42,106,436.41,4.104,6,0.406,0.81,1.0,0.37553971626345006,0.38558015214858476,0.5563960660681242,0.582525186758961,0.47501028030978
EOS-3-06559,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)cn1,QJTNJUIREQGBRN-UHFFFAOYSA-N,3,1,0.326,62,204,451.465,3.947,6,0.407,0.82,1.0,0.28194606264135424,0.2566736344321842,0.39119148790350217,0.48167534781714755,0.35287163319854703
EOS-3-06560,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nn4)n23)cc1F,GLLQYWGMYIWFGK-UHFFFAOYSA-N,3,1,0.388,66,306,411.828,2.714,4,0.542,0.8,1.0,0.33139435268316086,0.31845829620999244,0.312821259680625,0.3297580700431773,0.3231079946542389
EOS-3-06561,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)cc4OC)n23)cc1F,MBNLOHUUAPYEDT-UHFFFAOYSA-N,3,1,0.324,61,648,470.468,3.126,5,0.416,0.78,1.0,0.49875779590158315,0.4187684188883558,0.43885785758344187,0.2893821533822219,0.4114415564389007
EOS-3-06562,CCc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)n12,QMICBBMKKFTXDM-UHFFFAOYSA-N,3,1,0.34,63,792,447.93,4.098,6,0.48,0.79,1.0,0.08706565691179494,0.17959701185662394,0.020971831951202797,0.1286666438215338,0.10407528613528887
EOS-3-06563,Cc1cc(-c2nnc3cncc(CCc4ccc(-c5ncc(F)cn5)nc4)n23)ccc1C(N)=O,SXGNSASJSZCBEM-UHFFFAOYSA-N,3,1,0.38,85,580,454.469,2.975,5,0.418,0.75,0.995,0.252552943595367,0.15906209307107122,0.2436947433349325,0.192593036803509,0.21197570420121994
EOS-3-06564,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6cncn6)n5)n34)cc2)c1,WLLZNKBHTLPRTI-UHFFFAOYSA-N,3,1,0.361,93,74,434.438,4.24,6,0.413,0.82,1.0,0.04174662463162223,0.22654375985196354,0.6743454869440065,0.7268521691453635,0.417372010143239
EOS-3-06565,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccnc5OC)nn4C)n23)cc1F,YCQXZOUHVQLWPT-UHFFFAOYSA-N,3,1,0.309,74,413,459.445,2.156,5,0.424,0.77,0.973,0.32894421218559383,0.32323007333287646,0.08395586320334453,0.04746933040915633,0.1958998697827428
EOS-3-06566,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5ccnc(C)c5)cn4)n23)cc1,GXZYCJZDLMIBRO-UHFFFAOYSA-N,3,1,0.417,14,357,453.481,3.646,5,0.436,0.72,1.0,0.3059762867521075,0.2212322664656295,0.5854893427455281,0.45069734768007674,0.39084881091083545
EOS-3-06567,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)cc1F,DIQQDCXJEPZJBG-UHFFFAOYSA-N,3,1,0.337,63,306,409.812,2.933,5,0.556,0.9,1.0,0.2088273593310945,0.3232386402576931,0.20116852854499348,0.3843208142005346,0.2793888355835789
EOS-3-06568,Clc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)c1,KTACHAHZHWKCTB-UHFFFAOYSA-N,3,1,0.478,18,367,429.871,3.918,5,0.404,0.81,1.0,0.6255054485641834,0.6690511274073059,0.5123106709615517,0.5761342608457268,0.5957503769446919
EOS-3-06569,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)n1,CTPIFNFFFVLWEF-UHFFFAOYSA-N,3,1,0.304,10,952,436.414,3.03,6,0.414,0.74,0.997,0.017784935919402372,0.17078164622027278,0.2293451442670139,0.34573538482626276,0.19091177780823795
EOS-3-06570,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)cn5)cc4C)n23)cn1,JXZXRLHIWPTINC-UHFFFAOYSA-N,3,1,0.368,82,204,456.897,3.632,5,0.439,0.75,1.0,0.25256151052018366,0.24174148447673224,0.3840295387567679,0.32976663696799396,0.30202479268041943
EOS-3-06571,CCn1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC)nc5)n34)cc2)c1=O,MJAJICWWIJWPSS-UHFFFAOYSA-N,3,1,0.304,82,204,452.478,2.456,5,0.435,0.74,1.0,0.24730141868274963,0.10620416695223082,0.14934720032896992,0.10818312658488109,0.15275897813720787
EOS-3-06572,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)ncn1,VKDBPYYONRWGTJ-UHFFFAOYSA-N,3,1,0.542,51,946,430.859,3.579,5,0.416,0.76,1.0,0.8318055650743609,0.9158984990747722,0.412497429922555,0.4223665273113563,0.6456420053457611
EOS-3-06573,O=C(O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)c(F)c1,SCFPRANMHKVIII-UHFFFAOYSA-N,3,1,0.349,22,844,435.806,3.53,5,0.43,0.76,0.999,0.03194606264135426,0.10297443629634706,0.6340723733808512,0.6189089164553492,0.3469754471934754
EOS-3-06574,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)cc4OC(F)F)n23)cc1,ZXDIHPUDDDXLSC-UHFFFAOYSA-N,3,1,0.443,61,999,413.359,3.558,4,0.541,0.85,1.0,0.7548660132958673,0.8724384894798163,0.9278236584195737,0.8725327256527997,0.8569152217120143
EOS-3-06575,O=C(O)CCc1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,QBBLIFWJMAGUSS-UHFFFAOYSA-N,3,1,0.378,63,683,458.478,2.675,5,0.391,0.89,0.999,0.2473099856075663,0.020869028853402784,0.07274175861832637,0.0555136728120074,0.09910861147282572
EOS-3-06576,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nc(C)no5)n4)n23)nc1,YXYJMNQQXUXRLN-UHFFFAOYSA-N,3,1,0.406,33,53,444.415,1.273,5,0.402,0.74,1.0,0.2819546295661709,0.06971763415804264,0.018281817558769103,0.005123021040367349,0.0937692755808375
EOS-3-06577,CC(C)(O)c1ncc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)cn1,QXRBTTZFMHAQDD-UHFFFAOYSA-N,3,1,0.442,68,127,432.366,2.196,4,0.505,0.7,1.0,0.6060328284558975,0.5631125351243917,0.6715098348296895,0.320325885820026,0.5402452710575012
EOS-3-06578,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)n5)n4)n23)cn1,NTJDEGBKTVZVBA-UHFFFAOYSA-N,3,1,0.33,82,423,453.441,2.737,6,0.403,0.73,0.896,0.18089061750394078,0.18366630114454116,0.07709375642519362,0.11530224110753204,0.1392382290453019
EOS-3-06579,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(F)c(-c5cc(F)cc(F)c5)n4)n23)s1,OPYCNAMLCOGNQV-UHFFFAOYSA-N,3,1,0.313,22,155,453.409,3.493,5,0.446,0.71,0.501,0.14211671578370227,0.1969107669111096,0.5014992118429169,0.569837571105476,0.3525910664108012
EOS-3-06580,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ncccn6)nc5)n34)cn2)cc1,RRCGKDZZJHIXES-UHFFFAOYSA-N,3,1,0.333,42,106,429.447,3.767,6,0.417,0.79,1.0,0.12853813994928381,0.12216434788568295,0.26506922075251865,0.3080666164073744,0.20595958124871494
EOS-3-06581,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)n1,MXLGKHSNVYMXTM-UHFFFAOYSA-N,3,1,0.281,76,601,434.427,1.896,6,0.404,0.75,1.0,0.05231820985539031,0.02767116715783702,0.020980398876019463,0.0272513878418203,0.032055290932766774
EOS-3-06582,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1,WHKYMCGCWAPLLH-UHFFFAOYSA-N,3,1,0.523,89,398,472.896,3.235,5,0.4,0.81,1.0,0.7096497841134947,0.48949695017476524,0.4058066616407374,0.304905421150024,0.4774647042697553
EOS-3-06583,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)cn2)cn1,GZXKXHWLDYZZJL-UHFFFAOYSA-N,3,1,0.301,86,967,432.451,3.106,6,0.418,0.75,1.0,0.052326776780206974,0.05439140566102392,0.2615996162017682,0.2302532382975807,0.14964275923514495
EOS-3-06584,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cccnc5)n34)cn2)cn1,BYULKIZBPUSYET-UHFFFAOYSA-N,3,1,0.27,94,967,432.451,3.106,6,0.418,0.75,0.999,0.07029161812075937,0.05063909259132342,0.3019326982386403,0.2893907203070386,0.17806353231444041
EOS-3-06586,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,VGTDLEANGZUIEQ-UHFFFAOYSA-N,3,1,0.361,9,553,431.463,3.711,6,0.419,0.79,1.0,0.07618566239462682,0.06972620108285929,0.18081351518059077,0.2447313412377493,0.14286417997395656
EOS-3-06587,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cn1,OHWXFQJVVIZKHT-UHFFFAOYSA-N,3,1,0.305,42,171,431.463,3.711,6,0.419,0.79,1.0,0.13683092317181825,0.07353848262627648,0.5158916455349187,0.4848451099993146,0.302776540333082
EOS-3-06588,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)cnn4)n23)cc1F,CXSMKOLFXAIHGQ-UHFFFAOYSA-N,3,1,0.326,74,768,444.405,2.948,5,0.424,0.71,1.0,0.23640429031594817,0.23635288876704819,0.6493986018778699,0.6034370502364471,0.43139820779932836
EOS-3-06589,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4F)n23)c1,SVOXWVJENUNNDU-UHFFFAOYSA-N,3,1,0.326,64,27,454.404,3.374,6,0.43,0.71,1.0,0.27909327667740386,0.33738263313001166,0.5088496333356178,0.6217959701185662,0.4367803783153999
EOS-3-06590,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)n4)n23)cc1,OQUZQNYVLVFFQD-UHFFFAOYSA-N,3,1,0.455,89,398,454.454,1.838,6,0.376,0.83,0.999,0.3755482831882667,0.17079021314508944,0.03541566719210472,0.040949900623672125,0.15567601603728326
EOS-3-06591,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)c1,XIKCIOAUQPUDRV-UHFFFAOYSA-N,3,1,0.333,25,581,451.429,2.64,6,0.398,0.75,1.0,0.07030018504557604,0.18800973202659174,0.1431533136865191,0.2686930299499692,0.167539065177164
EOS-3-06592,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccccn5)cs4)n23)cc1,WNPODMWTHSYFTK-UHFFFAOYSA-N,3,1,0.383,52,916,452.543,4.398,6,0.413,0.85,1.0,0.1177095469810157,0.06623946268247549,0.21185148379137825,0.26870159687478584,0.1661255225824138
EOS-3-06593,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nn(C)nc5C)cnn4)n23)cc1,WUGQWFQJLPDOSD-UHFFFAOYSA-N,3,1,0.303,74,295,440.471,2.102,5,0.44,0.67,1.0,0.06438043999725858,0.025323829758070043,0.03811424850935508,0.01668836954286889,0.03612672195188815
EOS-3-06594,Cc1nn(C)c(C)c1-c1noc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,KNKCAMIOCDEHQV-UHFFFAOYSA-N,3,1,0.271,33,432,456.47,2.146,6,0.421,0.72,0.992,0.07416386813789322,0.025332396682886713,0.002921321362483723,0.0015420464670002057,0.025989908162565967
EOS-3-06595,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)n5)cn4)n23)cc1,HHSSNBLAOBQOGE-UHFFFAOYSA-N,3,1,0.467,89,408,442.443,1.315,5,0.412,0.74,1.0,0.41764615173737235,0.17960557878144062,0.07275032554314304,0.024484271126036596,0.17362158179699813
EOS-3-06596,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncn(-c5cnccn5)n4)n23)cc1,UEGMJPIQXIORGT-UHFFFAOYSA-N,3,1,0.443,89,943,428.416,1.101,5,0.421,0.75,1.0,0.2819631964909876,0.13249605921458432,0.04896854225207319,0.018992872318552532,0.12060516756904942
EOS-3-06597,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1)N1CCCCC1,VCZKILOGNUUDLQ-UHFFFAOYSA-N,3,1,0.326,52,821,462.517,3.936,6,0.399,0.81,0.985,0.011959427044068261,0.0027499828661503665,0.00410355698718388,0.028210883421287095,0.0117559625796724
EOS-3-06598,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nn5)s4)n23)nc1,NFGALQFXKXBMHS-UHFFFAOYSA-N,3,1,0.35,85,60,446.471,2.794,5,0.442,0.66,0.852,0.16684086080460558,0.1629000753889384,0.16799739565485575,0.1329586731546844,0.157674251250771
EOS-3-06599,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cn1,WJHSERSDUMBTNR-UHFFFAOYSA-N,3,1,0.293,70,957,432.451,3.106,6,0.418,0.77,1.0,0.060979370845041465,0.02087759577821945,0.22557569734768007,0.2505825508875334,0.1395038037146186
EOS-3-06600,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cc2)nn1,IQHACXFPJHSGFP-UHFFFAOYSA-N,3,1,0.354,9,764,432.451,3.106,6,0.418,0.77,1.0,0.06438900692207525,0.02306216160646974,0.19430642176684257,0.2505911178123501,0.1330871770269344
EOS-3-06601,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)cc2)nn1,VZDBWBGILXABNP-UHFFFAOYSA-N,3,1,0.303,42,369,432.451,3.106,6,0.418,0.77,1.0,0.05233534370502364,0.02307072853128641,0.19772462476869304,0.2097611541361113,0.1207229627852786
EOS-3-06602,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccncc5)ncn4)n23)cc1,MKDCRTYOZCJPGF-UHFFFAOYSA-N,3,1,0.313,98,213,433.439,2.501,6,0.412,0.73,1.0,0.06832122541292578,0.04322870262490577,0.15243129326297034,0.17334315674045644,0.10933109451031459
EOS-3-06603,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc1,JHUBSXICSRYWPU-UHFFFAOYSA-N,3,1,0.325,98,213,433.439,2.501,6,0.412,0.73,1.0,0.12291823726954972,0.09336234665204578,0.13392673565896784,0.162600233020355,0.1282018881502296
EOS-3-06604,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4cccc(F)c4)n23)cc1,GGICIGNEOICGQC-UHFFFAOYSA-N,3,1,0.38,98,581,450.441,3.245,6,0.402,0.75,1.0,0.1588222191762045,0.2825286135288877,0.30916318278390786,0.387661914879035,0.28454398259200875
EOS-3-06605,Cc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)cn2)ccn1,JXGGSAXQQUCWKQ-UHFFFAOYSA-N,3,1,0.388,74,155,426.415,2.857,5,0.468,0.7,1.0,0.15081214447262012,0.23636145569186484,0.459949626482078,0.37826399835515045,0.3063468062504283
EOS-3-06606,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)cn2)n1,UNNPZPMJWIZSLD-UHFFFAOYSA-N,3,1,0.325,70,179,450.441,3.245,6,0.402,0.77,1.0,0.0847868549105613,0.20178534713179358,0.294693646768556,0.38432938112535125,0.2413988074840655
EOS-3-06607,Cc1cnc(-c2nnccc2-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,SLOMPWOUVVTFKZ-UHFFFAOYSA-N,3,1,0.299,33,432,450.466,2.301,6,0.427,0.67,0.999,0.09701185662394626,0.04703241724350627,0.025974916044136796,0.0362209581248715,0.051560037009115205
EOS-3-06608,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cc5F)ccc4F)n23)cc1,UVYMEPYIGRRXJX-UHFFFAOYSA-N,3,1,0.43,96,46,446.392,4.037,5,0.42,0.79,1.0,0.33382735933109453,0.4141936810362552,0.9319015146323076,0.9170721677746556,0.6492486806935782
EOS-3-06609,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)c(C)n5)ccc4F)n23)cc1F,PQRHYGRWZXZQRI-UHFFFAOYSA-N,3,1,0.333,96,648,475.434,4.001,5,0.422,0.88,1.0,0.4431498869165924,0.4368703310259749,0.7611455691864848,0.7025392365156603,0.5859262559111781
EOS-3-06610,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc5c(Cl)cccc5c4)n23)cc1,GPAXGWWTVVIISK-UHFFFAOYSA-N,3,1,0.581,91,309,458.909,3.974,5,0.413,0.8,1.0,0.859682338427798,0.6495185388253033,0.5662308957576588,0.5203635802892194,0.6489488383249948
EOS-3-06612,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4Cl)n23)cn1,PGXLBQLVKSLTJK-UHFFFAOYSA-N,3,1,0.5,36,258,433.863,2.918,5,0.416,0.78,1.0,0.5137070797066685,0.7033959289973272,0.29109553834555546,0.30491398807484066,0.45327813378109794
EOS-3-06613,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(F)cn5)nc4)n23)cc1F,XSDJYRRMPIKTJT-UHFFFAOYSA-N,3,1,0.415,13,788,460.404,3.073,5,0.425,0.73,1.0,0.8061133575491741,0.5722705777534096,0.48806627373038175,0.3938986361455692,0.5650872112946337
EOS-3-06614,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)nn5)ncn4)n23)cc1F,RXLAETRRAGZJFK-UHFFFAOYSA-N,3,1,0.348,74,768,446.381,1.738,5,0.438,0.67,0.377,0.27365327941881984,0.21123466520457818,0.22218319512027962,0.20684839969844424,0.22847988486053047
EOS-3-06615,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnncn5)nc4)n23)c(F)c1,PUDLVEAKOKKDTJ-UHFFFAOYSA-N,3,1,0.453,89,707,457.429,2.116,5,0.407,0.73,1.0,0.5716194914673429,0.4187769858131725,0.3765163456925502,0.25367521074635047,0.405147008429854
EOS-3-06616,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4csc(-c5cnccn5)c4)n23)cc1,SZRBLYSEQZOGHQ-UHFFFAOYSA-N,3,1,0.358,52,916,453.531,3.793,6,0.42,0.77,0.999,0.08269652525529436,0.07354704955109313,0.152439860187787,0.18429168665615792,0.1232437804125831
EOS-3-06617,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4ncnn4C)cn3)n12,WBADLMCTMCEYDQ-UHFFFAOYSA-N,3,1,0.316,52,295,467.493,2.55,6,0.404,0.81,0.98,0.15082071139743677,0.06973476800767596,0.06028544993489137,0.05142724967445686,0.08306704475361523
EOS-3-06618,Cc1ccc(-c2nnccc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,RCGIZUWAPNWTSZ-UHFFFAOYSA-N,3,1,0.324,52,582,448.49,3.511,6,0.438,0.72,1.0,0.20056884380782675,0.05064765951614009,0.1460746350490028,0.17592180111027345,0.14330323487081076
EOS-3-06619,Cn1nc(-c2cccc(F)c2)nc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,QZYNLUHJVNDKPF-UHFFFAOYSA-N,3,1,0.361,42,979,449.453,3.85,6,0.403,0.81,0.816,0.050656226440956756,0.2315040093208142,0.32041155506819274,0.41596703447330546,0.2546347063258173
EOS-3-06620,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)s4)n23)cc1,XSEVOAJKOHHPFC-UHFFFAOYSA-N,3,1,0.373,62,139,430.468,4.081,5,0.434,0.79,1.0,0.21699163868137894,0.26716811733260226,0.604807758207114,0.5171338496333356,0.4015253409636077
EOS-3-06621,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)cc1,NJUNXCXFTKTXHA-UHFFFAOYSA-N,3,1,0.506,48,646,412.28,4.049,4,0.549,0.88,1.0,0.3639058323624152,0.42318038516893974,0.8300322116373107,0.8341614693989445,0.6128199746419025
EOS-3-06622,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4cnc(C)o4)nc3)n12,KKTPJMVGIJEUIY-UHFFFAOYSA-N,3,1,0.312,52,582,467.489,3.718,6,0.401,0.87,0.993,0.19767322321979303,0.07694811870331025,0.17116715783702283,0.1286752107463505,0.14361592762661915
EOS-3-06623,Cn1cnnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,FXCGPVPFDOLNRN-UHFFFAOYSA-N,3,1,0.557,43,250,444.43,2.404,5,0.426,0.71,1.0,0.7219261873757796,0.3713504900280995,0.442336029059009,0.3393701596874786,0.4687457165375917
EOS-3-06624,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccncc4-c4ccccc4)n23)cc1,UAXDVDWEAFHVNA-UHFFFAOYSA-N,3,1,0.543,1,347,422.448,3.531,5,0.448,0.82,0.999,0.7188934959906792,0.20623158111164416,0.5949472277431294,0.49692447399081624,0.5042491947090673
EOS-3-06625,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)noc5C)cn4)n23)c(OC)n1,PNOIJBNYIUSIHW-UHFFFAOYSA-N,3,1,0.291,82,974,456.466,2.888,5,0.424,0.77,0.995,0.25499451716811733,0.12217291481049962,0.0582550887533411,0.014940716880268658,0.11259080940305669
EOS-3-06626,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nc1,JBCUCLNWBUNWBN-UHFFFAOYSA-N,3,1,0.338,98,42,434.467,3.049,6,0.42,0.73,1.0,0.10937392913439792,0.050656226440956756,0.19074258104310876,0.16777465560962238,0.12963684805702144
EOS-3-06627,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)n1,KLMXGXUVELYQQY-UHFFFAOYSA-N,3,1,0.329,98,882,434.467,3.049,6,0.42,0.73,1.0,0.04742649578507299,0.04323726954972243,0.23306318963744774,0.1978359947913097,0.1303907374408882
EOS-3-06628,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)cc1,KGOHMUZPIJRQEL-UHFFFAOYSA-N,3,1,0.322,98,882,434.467,3.049,6,0.42,0.73,1.0,0.12558255088753342,0.07695668562812692,0.2616081831265849,0.2419128229730656,0.17651506065382772
EOS-3-06629,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(-c2nnc(C)o2)n1,DKSLFMMODXSYTP-UHFFFAOYSA-N,3,1,0.556,4,32,434.847,3.481,5,0.409,0.79,1.0,0.7280429716948804,0.845264203961346,0.14608320197381947,0.17887739017202384,0.4745669419505174
EOS-3-06630,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4nccc(-c5cncnc5)c4F)n23)cc1,CMALMTWRLAJMMC-UHFFFAOYSA-N,3,1,0.385,52,916,466.48,3.265,6,0.409,0.75,0.999,0.23077582071139743,0.17540778562127338,0.2765060653827702,0.3330049345486944,0.25392365156603386
EOS-3-06631,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cc1,YCMFXTGIWIJDNE-UHFFFAOYSA-N,3,1,0.367,3,289,435.426,3.635,6,0.417,0.74,1.0,0.04743506270988966,0.17961414570625728,0.42748954835172365,0.4816839147419642,0.28405566787745873
EOS-3-06632,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)c1,LUKKZYVFCWCZFI-UHFFFAOYSA-N,3,1,0.3,10,356,437.402,2.425,6,0.409,0.72,1.0,0.000359810842300048,0.05439997258584059,0.18082208210540746,0.2953190322801727,0.1327252244534302
EOS-3-06633,Cn1cncc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,SLYPZUWCMLPYNX-UHFFFAOYSA-N,3,1,0.489,89,731,427.428,1.66,5,0.432,0.75,1.0,0.4571225412925776,0.14353882530326914,0.11709272839421561,0.05552223973682407,0.1933190836817216
EOS-3-06634,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncc(F)c5)c4)n23)cc1F,YABVEDBWMJYJNV-UHFFFAOYSA-N,3,1,0.408,14,358,460.419,3.96,5,0.428,0.76,1.0,0.38022582413816736,0.3809540127475841,0.9113494619971215,0.9070317318895209,0.6448902576930985
EOS-3-06635,Cc1ncc(-c2ccc(F)cn2)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,AOKYJKNBFGVKOW-UHFFFAOYSA-N,3,1,0.346,52,582,466.48,3.65,6,0.421,0.77,1.0,0.27910184360222057,0.2265523267767802,0.19431498869165925,0.24766979644986636,0.23690973888013162
EOS-3-06636,Cc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2)n1,OWOBMVWMLJOJCP-UHFFFAOYSA-N,3,1,0.388,52,310,464.489,3.636,6,0.404,0.82,0.994,0.4294171064354739,0.15907065999588788,0.12279830032211637,0.11531080803234871,0.20664921869645672
EOS-3-06637,Cc1cccc(-c2n[nH]c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,QKYABDUFZZMCSY-UHFFFAOYSA-N,3,1,0.33,52,295,437.467,2.839,6,0.433,0.81,0.995,0.16152080049345488,0.10298300322116373,0.04246624631622233,0.05696148310602426,0.0909828832842163
EOS-3-06638,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)nc1,KIYPJTYPPYPTLF-UHFFFAOYSA-N,3,1,0.305,76,272,438.48,3.167,6,0.412,0.75,1.0,0.08270509218011103,0.09957336714412994,0.06632513193064217,0.09563258172846276,0.08605904324583646
EOS-3-06639,Cn1nnc(-c2c(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cnnc2Cl)n1,CAFORYSCIBZXSY-UHFFFAOYSA-N,3,1,0.359,22,649,443.233,2.885,5,0.419,0.72,1.0,0.2761633883901035,0.47167774655609623,0.3275820711397437,0.5666249742992255,0.41051204509629224
EOS-3-06640,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccc(F)c(Cl)c4)n23)cc1,LGCMRZTUSJZZKD-UHFFFAOYSA-N,3,1,0.406,62,124,461.888,4.011,5,0.436,0.77,1.0,0.22233739976697964,0.3081351518059077,0.7164176547186621,0.6884980467411418,0.48384706325817284
EOS-3-06641,NC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cn4)n23)c(Cl)c1,FUXHDZLZVGWRRI-UHFFFAOYSA-N,3,1,0.432,13,412,434.803,2.781,5,0.44,0.7,1.0,0.5422006716469057,0.4187855527379892,0.3350866972791447,0.28939928723185526,0.39636805222397364
EOS-3-06642,N#Cc1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(C(F)(F)F)nn5)cc4)n23)cn1,NBNMZJAXLMHEAB-UHFFFAOYSA-N,3,1,0.362,96,121,444.38,4.201,5,0.411,0.81,1.0,0.34106641080117883,0.48071585223768076,0.9643787266122953,0.920284764580906,0.6766114385580153
EOS-3-06643,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c1,OUPVKFWXCRAHGB-UHFFFAOYSA-N,3,1,0.462,18,367,430.859,3.313,5,0.404,0.77,1.0,0.6942978548420259,0.7752638612843533,0.2800870399561373,0.32658830786101023,0.5190592659858817
EOS-3-06644,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cn1,YUBNMBKGCQTIKD-UHFFFAOYSA-N,3,1,0.287,70,957,431.463,3.711,6,0.419,0.81,1.0,0.04744362963470632,0.02767973408265369,0.4163868137893222,0.3968456582825029,0.22208895894729627
EOS-3-06645,CCn1nc(-c2cccc(F)c2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,NGMAWEMPSIAQKC-UHFFFAOYSA-N,3,1,0.359,52,269,468.496,3.768,6,0.407,0.83,1.0,0.1069323555616476,0.22656089370159688,0.06232437804125831,0.137456308683435,0.13331848399698443
EOS-3-06646,CCn1c(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cnc1CCOC,WOVUKHTYOKDWHH-UHFFFAOYSA-N,3,1,0.303,63,108,446.515,2.075,5,0.419,0.78,0.999,0.024869782742786648,0.001927558083750257,0.0041121239120005485,0.003726612295250497,0.008659019258446986
EOS-3-06647,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)cc1,FXQWKIAKCXDPHC-UHFFFAOYSA-N,3,1,0.388,29,849,457.885,3.061,5,0.378,0.78,1.0,0.2525700774450003,0.28777157151668836,0.15244842711260365,0.11765814543211568,0.202612055376602
EOS-3-06648,CN(c1cnc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cn1)C1CCCC1,CUEPHDOTSXRKML-UHFFFAOYSA-N,3,1,0.329,63,66,415.461,2.121,5,0.525,0.78,1.0,0.03581831265848811,0.011856623946268248,0.0021160304297169487,0.002475841272016997,0.013066702076622576
EOS-3-06649,Cc1nn(C)cc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1C,VIXLOFKNYWBVRO-UHFFFAOYSA-N,3,1,0.278,8,890,438.459,2.081,6,0.442,0.72,1.0,0.02380748406551984,0.03972483037488863,0.020038037146186006,0.018393187581385785,0.025490884791995065
EOS-3-06650,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)ccc2F)cn1,OYMGSXDORWOIMZ-UHFFFAOYSA-N,3,1,0.576,16,253,438.426,3.542,5,0.409,0.8,1.0,0.897231169899253,0.8697056404632993,0.772822287711603,0.6829895140840244,0.805687153039545
EOS-3-06651,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)nn1,IHSJDQKFXLILGC-UHFFFAOYSA-N,3,1,0.432,89,943,468.481,1.848,6,0.379,0.85,1.0,0.2684445891302858,0.11872901103419917,0.031543417174970875,0.028219450346103764,0.1117341169213899
EOS-3-06652,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccnc4)n23)nc1,GUYWIXADBKWOHC-UHFFFAOYSA-N,3,1,0.277,94,968,434.427,1.896,6,0.404,0.74,1.0,0.1314937290110342,0.0804776917277774,0.052729422246590364,0.07353848262627648,0.08455983140291962
EOS-3-06653,OCc1ccc(-c2ccnc(-c3nnc4cncc(Cc5ccc(F)c(F)c5)n34)c2)cn1,BWNCRHFKVVUNIS-UHFFFAOYSA-N,3,1,0.337,14,358,430.418,3.61,5,0.458,0.73,0.919,0.38475772736618463,0.41879411966280583,0.87451168528545,0.8629120690836817,0.6352439003495305
EOS-3-06654,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)cn1,RDMAFFLJWQXGPX-UHFFFAOYSA-N,3,1,0.457,55,283,426.396,2.316,5,0.43,0.78,0.886,0.45264203961346033,0.140060653827702,0.1943235556164759,0.10819169350969776,0.22380448564183403
EOS-3-06655,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccncc4-c4ccccc4)n23)c(F)c1,AOKGZCUNVQTUGQ-UHFFFAOYSA-N,3,1,0.33,25,791,449.453,3.85,6,0.403,0.8,1.0,0.2736618463436365,0.28253718045370435,0.47388801315879653,0.5730073332876431,0.40077359331094514
EOS-3-06656,Cc1cnc(-c2cc(-c3nnc4cncc(CNc5ccc(F)c(Cl)c5)n34)ncn2)cn1,GHKLOYHBNLZOHS-UHFFFAOYSA-N,3,1,0.323,85,726,447.865,3.751,5,0.434,0.77,0.99,0.12854670687410047,0.14006922075251868,0.4944229319443493,0.5000856692481667,0.31578113220478377
EOS-3-06657,CNC(=O)c1ccc(-c2nnc3cncc(COc4ccc(-c5ncc(F)cn5)cn4)n23)nc1,SMBSUFZKCGHRQZ-UHFFFAOYSA-N,3,1,0.359,33,260,457.429,2.116,5,0.407,0.71,1.0,0.4888544308135152,0.32787334658351036,0.17781509149475705,0.09564114865327941,0.27254600438626553
EOS-3-06658,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cnc2F)cn1,DHXGYDWGQYVJGI-UHFFFAOYSA-N,3,1,0.516,89,399,445.418,1.799,5,0.417,0.7,1.0,0.40216571859365363,0.267176684257419,0.2118600507161949,0.12868377767116715,0.25247155780960867
EOS-3-06659,Cc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)s5)n34)cc2)nn1,ONQZROIXPFWOCP-UHFFFAOYSA-N,3,1,0.444,89,250,444.48,2.691,5,0.422,0.73,1.0,0.39587759577821946,0.11873757795901584,0.0839644301281612,0.052652319923240355,0.16280798094715923
EOS-3-06660,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4OC)n23)cc1Cl,VQKZLNSWRABFHO-UHFFFAOYSA-N,3,1,0.346,61,917,475.9,2.67,5,0.411,0.84,1.0,0.40421321362483725,0.3665530121307655,0.2544462339798506,0.20976972106092798,0.3087455451990953
EOS-3-06661,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)cc1,CGIKJUUOICRMBZ-UHFFFAOYSA-N,3,1,0.308,74,333,423.4,1.082,5,0.409,0.79,1.0,0.01869302994996916,0.015746007813035433,0.15530978000137072,0.11531937495716538,0.07626704818038517
EOS-3-06662,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cn[nH]c5)nn4)n23)cc1,PWIXZTNTLANYKS-UHFFFAOYSA-N,3,1,0.324,74,295,424.428,1.926,6,0.436,0.79,1.0,0.0920773079295456,0.05440853951065725,0.03812281543417175,0.06289836200397506,0.061876756219587416
EOS-3-06663,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)nc2)n1,ANHMSNYMJFMYBJ-UHFFFAOYSA-N,3,1,0.317,39,972,451.429,2.64,6,0.398,0.74,0.99,0.16684942772942224,0.24683880474264958,0.12535981084230005,0.19784456171612638,0.18422315125762456
EOS-3-06664,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cn2)c1,ABGJXIBXZDKZKG-UHFFFAOYSA-N,3,1,0.31,10,664,435.426,3.635,6,0.417,0.75,1.0,0.0019446919333835925,0.1062127338770475,0.4494637105064766,0.520372147214036,0.26949832088273595
EOS-3-06665,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(F)c(OCC5CCC5)n4)n23)nc1,KMSBIEQXAHMJHI-UHFFFAOYSA-N,3,1,0.307,63,108,420.408,2.06,5,0.501,0.74,0.359,0.3338359262559112,0.1880182989514084,0.009637790418751286,0.02822801727092043,0.1399300082242478
EOS-3-06666,Cn1nnnc1-c1cc(F)cc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)c1,KNLCTZHCZNDRNB-UHFFFAOYSA-N,3,1,0.299,25,219,450.441,3.245,6,0.402,0.76,0.991,0.11771811390583237,0.20624014803646082,0.28009560688095403,0.4030224110753204,0.2517690699746419
EOS-3-06667,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)nc1,YUYLPKXNILGMNS-UHFFFAOYSA-N,3,1,0.338,94,615,450.441,3.245,6,0.402,0.76,0.997,0.22826571174011376,0.3132753066959084,0.3167192104722089,0.3749828661503667,0.30831077376464944
EOS-3-06668,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,RYBZQFVWPUXOKF-UHFFFAOYSA-N,3,1,0.728,23,721,469.879,4.237,5,0.438,0.83,1.0,0.7668511411143856,0.5586406003700911,0.7348279761496813,0.8163936673291755,0.7191783462408334
EOS-3-06669,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nc1,OQBQCGXOGXWAHB-UHFFFAOYSA-N,3,1,0.311,38,193,432.451,3.106,6,0.418,0.74,1.0,0.10446508121444727,0.050664793365773425,0.2365070934137482,0.24767836337468302,0.15982883284216298
EOS-3-06670,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cn2)n1,UDZLFBJDZXUCLM-UHFFFAOYSA-N,3,1,0.337,70,687,433.439,2.501,6,0.412,0.76,1.0,0.04032451511205538,0.033616612980604484,0.08397299705297787,0.1017664998971969,0.06492015626070866
EOS-3-06671,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)cn2)n1,XTHLMMIJYBDJCX-UHFFFAOYSA-N,3,1,0.29,64,495,433.439,2.501,6,0.412,0.76,1.0,0.06832979233774245,0.030438283873620724,0.043931190459872524,0.0715338222191762,0.053558272222602975
EOS-3-06672,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cn4)n23)cc1,RAMKSMGRIBAOAQ-UHFFFAOYSA-N,3,1,0.3,8,890,437.431,1.234,6,0.395,0.71,1.0,0.07619422931944349,0.05441710643547392,0.015925913234185456,0.01669693646768556,0.040808546364197104
EOS-3-06673,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)c(F)c1,UIKDUGNGUGXGOF-UHFFFAOYSA-N,3,1,0.314,98,219,441.39,2.233,6,0.4,0.76,1.0,0.28197176341580427,0.31846686313480915,0.14031766157220205,0.18979165238845863,0.23263698512781852
EOS-3-06674,CCc1ncc(Cl)cc1Cc1cncc2nnc(-c3ccc(C(=O)NC(C)C)c(C)c3)n12,YPNAGGMOWFFDKQ-UHFFFAOYSA-N,3,1,0.377,63,334,448.958,4.44,4,0.471,0.76,0.999,0.2442772942224659,0.18367486806935782,0.37652491261736687,0.23907717085874855,0.2608885614419848
EOS-3-06675,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)c(F)c1,GETOVCXASRXWHU-UHFFFAOYSA-N,3,1,0.326,25,745,453.445,2.583,6,0.4,0.74,1.0,0.17491090398190665,0.2981546843944898,0.19075114796792544,0.25059968473716676,0.22860410527037217
EOS-3-06676,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccnc(C)c5)cc4F)n23)cc1,RXMLPSPKVVZJIO-UHFFFAOYSA-N,3,1,0.352,62,3,454.465,4.453,5,0.422,0.83,1.0,0.5422092385717223,0.5397248303748886,0.7543519978068672,0.6098451099993146,0.6115327941881982
EOS-3-06677,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5F)n4)n23)cc1Cl,VDZRSFQSPQIXAV-UHFFFAOYSA-N,3,1,0.362,61,316,460.86,3.462,5,0.437,0.72,1.0,0.3006904941402234,0.36656157905558223,0.49443149886916593,0.5730159002124597,0.4336748680693578
EOS-3-06678,Fc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cccs4)cn3)n12,YDMLUKVDVXUMML-UHFFFAOYSA-N,3,1,0.303,70,693,441.455,3.901,6,0.442,0.78,1.0,0.24428586114728257,0.3571208279076143,0.4738965800836132,0.5404273182098553,0.40393264683709135
EOS-3-06679,NC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)c(F)c(F)c5)nn4)n23)cc1,OVHJTYOZELMJIT-UHFFFAOYSA-N,3,1,0.411,22,331,436.357,2.555,5,0.433,0.7,1.0,0.06439757384689192,0.22656946062641353,0.7564594613117676,0.729550750462614,0.44424431156192173
EOS-3-06680,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cn4)n23)cc1,UHODWYRHYOYQRP-UHFFFAOYSA-N,3,1,0.511,89,398,454.45,2.708,6,0.394,0.8,1.0,0.4021742855184703,0.15524124460283736,0.0955640463299294,0.09359365362209582,0.18664330751833322
EOS-3-06681,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(C)c5)c4)n23)cc1,KSPCBWIYIFDOCQ-UHFFFAOYSA-N,3,1,0.528,89,637,451.49,3.495,5,0.421,0.77,1.0,0.5716280583921596,0.19691933383592625,0.48101569460626414,0.2834795421835378,0.383260657254472
EOS-3-06682,Cc1ncc(-c2ncc(-c3nnc4cncc(-c5ccc(C(=O)N6CC(F)C6)cn5)n34)cn2)o1,CGZNDXFAAUXBAJ-UHFFFAOYSA-N,3,1,0.31,82,800,457.429,2.401,6,0.399,0.77,1.0,0.25,0.22124083339044617,0.020988965800836132,0.033128298266054415,0.1313395243643342
EOS-3-06683,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,YDMBLZUJKJBZGE-UHFFFAOYSA-N,3,1,0.326,30,979,431.463,3.711,6,0.419,0.8,0.998,0.03324823521348776,0.06223014186827496,0.1253683777671167,0.17888595709684052,0.09993317798642999
EOS-3-06684,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ccc(-c4nncn4C)cc3)n12,IHRAOSRFETZCOS-UHFFFAOYSA-N,3,1,0.375,61,740,424.468,2.585,5,0.463,0.71,1.0,0.19224179288602564,0.09020971831951202,0.24370331025974917,0.1651874443149887,0.1728355664450689
EOS-3-06685,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cc2)n1,ADGSPEPXIGXRQX-UHFFFAOYSA-N,3,1,0.343,9,98,433.479,3.654,6,0.421,0.76,1.0,0.07226201082859297,0.0584692618737578,0.38011445411555067,0.342557055719279,0.2133506956342951
EOS-3-06686,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(C)cn5)n4)n23)cc1,NUFDUKWDRRPDHT-UHFFFAOYSA-N,3,1,0.474,89,731,466.505,3.28,5,0.388,0.82,1.0,0.37317524501404975,0.12577959015831677,0.1842145843328079,0.08262798985676102,0.19144935234048385
EOS-3-06687,O=C(NC1COC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)nn4)n23)cc1,AFLRCUANGMZFFT-UHFFFAOYSA-N,3,1,0.374,62,302,467.464,3.183,6,0.423,0.78,1.0,0.24429442807209925,0.2518161880611336,0.4912446028373655,0.49073058734836544,0.3695214515797409
EOS-3-06688,Cc1ccc(-c2cc(-c3nnc4cncc(Cc5cc(F)ccc5F)n34)nc(C)n2)cn1,MHXMFXSFIQIVHL-UHFFFAOYSA-N,3,1,0.33,14,500,429.434,4.129,5,0.427,0.81,1.0,0.27367041326845315,0.342402851072579,0.6743540538688233,0.6624117606743883,0.488209769721061
EOS-3-06689,Fc1ccc(-c2ccnc(-c3nnc4cncc(CNc5cc(F)cc(F)c5)n34)c2)nc1,CSHBYIJUIIPTDT-UHFFFAOYSA-N,3,1,0.358,45,692,433.397,4.278,5,0.446,0.79,1.0,0.16152936741827154,0.11546501267904873,0.8496676033171133,0.8596652045781646,0.4965817969981495
EOS-3-06690,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c1,XTVNKNKMPSGIKC-UHFFFAOYSA-N,3,1,0.489,36,250,427.428,1.66,5,0.432,0.74,1.0,0.4665118908916455,0.17079878006990612,0.10579295456103077,0.06611095881022548,0.20230364608320198
EOS-3-06691,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)cc4)n23)nc1,YPTNXIBHWRTIDU-UHFFFAOYSA-N,3,1,0.298,52,523,468.908,3.856,6,0.417,0.82,1.0,0.18952607771914193,0.21124323212939483,0.1943321225412926,0.3015386196970735,0.22416001302172572
EOS-3-06692,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cc5)n34)c2)nn1,BVVCVTDMYRBLPY-UHFFFAOYSA-N,3,1,0.316,9,764,433.479,3.654,6,0.421,0.78,1.0,0.06623089575765884,0.02307929545610308,0.4565742581043109,0.4254420533205401,0.24283162565965322
EOS-3-06693,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nncn6C)c5)n34)cn2)cn1,ALFPBVVYBKEPDY-UHFFFAOYSA-N,3,1,0.276,99,899,435.455,2.444,6,0.414,0.73,1.0,0.03878246864505517,0.030446850798437394,0.1778236584195737,0.160021588650538,0.10176864162840107
EOS-3-06694,Cn1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(-c2ccc(Cl)nn2)n1,HMFWURJHCDWWBX-UHFFFAOYSA-N,3,1,0.333,52,295,471.912,3.194,6,0.418,0.78,0.999,0.18089918442875746,0.1923274621341923,0.10060996504694675,0.17593036803509013,0.16244174491124666
EOS-3-06695,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C#N)nc(C(F)F)n4)n23)cn1,CTWZKHJSIGPQSD-UHFFFAOYSA-N,3,1,0.478,68,127,437.37,1.724,4,0.477,0.65,0.992,0.5603025837845247,0.467428551847029,0.24371187718456583,0.12215578096086628,0.34839969844424645
EOS-3-06696,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,GDUMGEYAZCXMQT-UHFFFAOYSA-N,3,1,0.362,69,220,430.475,4.316,6,0.414,0.86,1.0,0.10938249605921459,0.06624802960729216,0.45658282502912756,0.48485367692413134,0.2792667569049414
EOS-3-06697,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4NC(=O)c4ccc(F)cn4)n23)cc1,JXCLPEUYLNZHSE-UHFFFAOYSA-N,3,1,0.358,62,124,468.452,2.999,5,0.406,0.76,1.0,0.17219518881502296,0.19233602905900898,0.2947022136933726,0.1733517236652731,0.20814628880816943
EOS-3-06698,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nccnn5)ncn4)n23)cc1,ZHYVJNMRTBALKR-UHFFFAOYSA-N,3,1,0.443,89,463,440.427,1.372,5,0.411,0.71,1.0,0.4294256733602906,0.1836834349941745,0.08633746830237818,0.0385083270509218,0.18448872592694127
EOS-3-06699,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cscn5)s4)n23)cc1,DCIQGBCCXVSQSF-UHFFFAOYSA-N,3,1,0.374,52,916,458.572,4.459,6,0.406,0.86,1.0,0.10939106298403126,0.08720272770886163,0.12280686724693304,0.16519601123980535,0.12114916729490782
EOS-3-06700,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)nn5)n34)cc2)CC1,ILJGIFHJHLHULU-UHFFFAOYSA-N,3,1,0.41,66,334,454.416,2.868,5,0.494,0.66,1.0,0.2443029949969159,0.21603214310191213,0.2221917620450963,0.22136077033787951,0.22597191762045096
EOS-3-06701,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnn5)ncc4F)n23)cc1F,FSPOZFHFFAXMKY-UHFFFAOYSA-N,3,1,0.364,85,768,459.42,2.267,5,0.425,0.67,1.0,0.26845315605510245,0.23151257624563087,0.4705726132547461,0.4159756013981221,0.3466284867384004
EOS-3-06702,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(F)nc5)c4)n23)cc1,KNGFJQVJAZAVBY-UHFFFAOYSA-N,3,1,0.489,89,230,455.453,3.326,5,0.391,0.79,1.0,0.754874580220684,0.44542868891782605,0.619662805839216,0.46018950037694467,0.5700388938386677
EOS-3-06703,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccccc5F)n4)n23)cc1,RMIPMHGWSOBDNP-UHFFFAOYSA-N,3,1,0.447,62,319,458.884,4.336,5,0.422,0.81,1.0,0.2956360084983894,0.34241141799739566,0.7295336166129806,0.7532554314303338,0.5302091186347748
EOS-3-06704,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnc(C)c(C)n5)cnn4)n23)cc1F,LBDJNXIDFNWZSY-UHFFFAOYSA-N,3,1,0.327,74,413,456.445,2.216,5,0.431,0.67,1.0,0.2197673223219793,0.17962271263107396,0.09112637927489549,0.06966623260914262,0.14004566170927285
EOS-3-06705,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)n2)cc1,TZEWURUQRIHWBS-UHFFFAOYSA-N,3,1,0.284,10,158,436.414,3.03,6,0.414,0.74,0.979,0.029495922143787268,0.16684086080460558,0.1977331916935097,0.3457439517510794,0.18495348159824548
EOS-3-06706,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)nc1,XUWKMKBGHAGPLF-UHFFFAOYSA-N,3,1,0.321,64,449,449.453,3.85,6,0.403,0.79,1.0,0.21977588924679597,0.282545747378521,0.34601809334521283,0.4095932424097046,0.3144832430950586
EOS-3-06707,c1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)cc2)cn1,RVKMOBOBCGXRIG-UHFFFAOYSA-N,3,1,0.29,94,761,430.435,3.162,6,0.415,0.75,1.0,0.15614933863340416,0.132504626139401,0.3726183949009664,0.38767048180385166,0.2622357103694058
EOS-3-06708,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccn6)n5)n34)cn2)c1,CJQNZYSWYANRMA-UHFFFAOYSA-N,3,1,0.34,10,952,436.414,3.03,6,0.414,0.76,0.998,0.012781851826468371,0.17080734699472278,0.19434068946610925,0.3143290384483586,0.17306473168391473
EOS-3-06709,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(F)c4Cl)n23)cc1,VLSLTFPWCUYNAG-UHFFFAOYSA-N,3,1,0.477,23,646,413.815,3.673,4,0.518,0.82,1.0,0.42472243163594,0.5034696045507505,0.9084538414090878,0.885211774381468,0.6804644129943116
EOS-3-06710,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cc(-c5ccnc(F)c5)cnn4)n23)cc1,HLRYKHHQEZSLIK-UHFFFAOYSA-N,3,1,0.398,14,886,454.469,2.927,5,0.393,0.76,1.0,0.3006990610650401,0.23152114317044753,0.35385682955246384,0.2894078541566719,0.2938712219861558
EOS-3-06711,Cc1cccc(-c2cnccc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,QGMGASZZDSCHOH-UHFFFAOYSA-N,3,1,0.321,52,582,447.502,4.116,6,0.435,0.76,1.0,0.15082927832225346,0.0397333972997053,0.26507778767733536,0.2863237612226715,0.18549105613049138
EOS-3-06712,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nn[nH]n5)cc4)n23)cn1,KMQNSRBEXWXVBL-UHFFFAOYSA-N,3,1,0.483,89,499,428.416,1.305,5,0.408,0.78,1.0,0.5744208758823932,0.30308066616407375,0.10318860941676376,0.054023027893907206,0.25867829483928445
EOS-3-06713,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ncncc4-c4cccc(F)c4)n23)c1,MTQFIJCWSMCZHE-UHFFFAOYSA-N,3,1,0.33,3,642,449.453,3.85,6,0.403,0.83,1.0,0.10939962990884793,0.22124940031526283,0.46714584332807896,0.5502878486738401,0.33702068055650747
EOS-3-06714,CCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)cn1,DRXLYBBNUDTPBW-UHFFFAOYSA-N,3,1,0.327,63,364,418.436,1.923,5,0.488,0.75,0.991,0.13396100335823452,0.12918922623535056,0.009646357343567953,0.014949283805085327,0.07193646768555959
EOS-3-06715,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cc2)nn1,GLALWPUVTBNSDM-UHFFFAOYSA-N,3,1,0.351,25,508,453.445,2.583,6,0.4,0.72,1.0,0.19768179014460968,0.287780138441505,0.24725001713384964,0.2894164210814886,0.25553209170036323
EOS-3-06716,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)nc1,DEHWRHQHLWDZAU-UHFFFAOYSA-N,3,1,0.562,34,32,434.822,3.41,5,0.414,0.74,1.0,0.8138749914330752,0.9468336645877595,0.4458741690082928,0.5730244671372764,0.6949018230416011
EOS-3-06717,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnnnc5)c4)n23)cc1,BMQUHVDURUIXIU-UHFFFAOYSA-N,3,1,0.529,89,637,438.451,2.582,5,0.43,0.7,1.0,0.5827993283530943,0.2315297100952642,0.4565913919539442,0.31120211089027483,0.39553063532314436
EOS-3-06718,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(C)nn5)cn4)n23)cc1,FWQZWQKBNALCKZ-UHFFFAOYSA-N,3,1,0.415,85,357,437.467,2.297,5,0.444,0.66,1.0,0.12855527379891715,0.06625659653210883,0.11107874717291481,0.05839215955040779,0.09107069426358715
EOS-3-06719,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1,LORWCBUVZWTOPM-UHFFFAOYSA-N,3,1,0.489,7,408,425.412,1.716,5,0.429,0.74,1.0,0.49876636282639986,0.18369200191899115,0.2118686176410116,0.12216434788568295,0.2541228325680214
EOS-3-06720,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccon5)s4)n23)cc1,JWIJFIDXNVRKEO-UHFFFAOYSA-N,3,1,0.489,89,398,459.491,3.374,6,0.393,0.84,1.0,0.35241758618326363,0.19234459598382564,0.054725515728873964,0.06611952573504215,0.16640180590775133
EOS-3-06721,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4cc(F)ccn4)n23)cc1Cl,UFDHGLHCNAKAHD-UHFFFAOYSA-N,3,1,0.33,74,768,462.876,3.406,5,0.439,0.73,1.0,0.20593173874306078,0.25182475498595025,0.4944400657939826,0.5101860736070181,0.36559565828250296
EOS-3-06722,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)nn1,OEDLNDPZLJINEA-UHFFFAOYSA-N,3,1,0.62,43,389,433.834,4.015,5,0.413,0.78,1.0,0.959512713316428,0.9672914810499623,0.734836543074498,0.7711517373723529,0.8581981187033103
EOS-3-06723,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)cc1,BFLRFILIQVINRD-UHFFFAOYSA-N,3,1,0.301,42,171,432.451,3.106,6,0.418,0.75,1.0,0.10694092248646427,0.06223870879309163,0.30194126516345693,0.29232060859433895,0.19086037625933794
EOS-3-06724,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cc1,UKYVFQPBGISTQS-UHFFFAOYSA-N,3,1,0.343,25,508,431.463,3.711,6,0.419,0.79,1.0,0.10940819683366458,0.0872112946336783,0.40210575011993693,0.4570797066684943,0.2639512370639435
EOS-3-06725,Cn1cc(-c2cncc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)c2)cn1,FKUWLQKMEHWJCQ-UHFFFAOYSA-N,3,1,0.347,42,106,431.463,3.711,6,0.419,0.79,1.0,0.06281269275580838,0.036546501267904874,0.41250599684737166,0.4061407717085875,0.2295014906449181
EOS-3-06726,COc1ncc(-c2ncn(C)n2)cc1Cc1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,CSJADUPUXXJIQR-UHFFFAOYSA-N,3,1,0.391,89,740,441.455,1.68,5,0.42,0.71,0.999,0.1285638407237338,0.1029915701459804,0.08881330957439518,0.030009937632787333,0.08759466451922417
EOS-3-06727,Cc1cc(C(=O)NC2(C)CC2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)cn3)n12,CAGRUUUUXQHQQW-UHFFFAOYSA-N,3,1,0.288,63,686,427.468,2.543,5,0.504,0.72,0.997,0.17220375573983962,0.0622472757179083,0.05096463573435679,0.05143581659927352,0.08421287094784456
EOS-3-06728,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)nn1,GXJGOECHLCCRJK-UHFFFAOYSA-N,3,1,0.479,72,482,430.859,3.313,5,0.404,0.76,1.0,0.7219347543005963,0.8452727708861627,0.31282982660544173,0.38132239051470085,0.5653399355767253
EOS-3-06729,CC(C)(O)c1ncc(Cc2cncc3nnc(-c4ccc(Cl)c(OC(F)F)c4)n23)cn1,XYMWXPTVBJSQAJ-UHFFFAOYSA-N,3,1,0.447,68,364,446.845,3.654,4,0.482,0.69,1.0,0.7809608662874374,0.8278133781097937,0.8333904461654444,0.7081334384209444,0.787574532245905
EOS-3-06730,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cc2)n1,XJAHXNSGJZQCFH-UHFFFAOYSA-N,3,1,0.349,3,289,437.442,3.579,6,0.419,0.75,1.0,0.03325680213830443,0.18370056884380784,0.45995819340689464,0.48762936056473166,0.29113623123843463
EOS-3-06731,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(C)nn5)n4)n23)cc1,KPVONSSTWWMHDW-UHFFFAOYSA-N,3,1,0.474,89,398,453.466,2.285,5,0.411,0.73,1.0,0.4000753889383867,0.1837091357686245,0.09319957508052909,0.040958467548488794,0.17948564183400725
EOS-3-06732,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)ncn5)cnn4)n23)cc1,UVFZMOQHXHWCCK-UHFFFAOYSA-N,3,1,0.448,89,926,453.466,2.285,5,0.411,0.73,1.0,0.40218285244328694,0.16290864231375504,0.2047323692687273,0.09169179631279556,0.21537891508464121
EOS-3-06733,Cc1nc2c(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cccc2n1C,KTRJGUPPRNKSON-UHFFFAOYSA-N,3,1,0.303,61,917,440.446,2.983,6,0.417,0.74,0.996,0.2659173463093688,0.32324720718250977,0.1585052429579878,0.20977828798574463,0.23936202110890276
EOS-3-06734,CONC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cncnc5)c4)n23)c(C)c1,RMNBXASAMJRCQH-UHFFFAOYSA-N,3,1,0.303,96,648,455.453,3.654,5,0.403,0.84,1.0,0.30598485367692413,0.22657802755123022,0.7138647111232952,0.5947587553971626,0.46029658693715303
EOS-3-06735,COc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3)n12,SYQGWBVTAOQCRA-UHFFFAOYSA-N,3,1,0.365,61,917,434.41,3.595,5,0.417,0.82,1.0,0.30336337468302377,0.332422383661161,0.6932441230895757,0.6189174833801658,0.48698684120348157
EOS-3-06736,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)c(F)c2)n1,DQDHKWAJLWMOLU-UHFFFAOYSA-N,3,1,0.327,25,615,450.441,3.245,6,0.402,0.75,1.0,0.23078438763621412,0.29317730107600576,0.29110410527037217,0.37174456856966626,0.2967025906380646
EOS-3-06737,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,AYULXIHWJDDBAG-UHFFFAOYSA-N,3,1,0.32,86,213,433.439,2.501,6,0.412,0.73,1.0,0.10192070454389693,0.06225584264272497,0.12810122678363375,0.15447878829415393,0.11168914056610241
EOS-3-06738,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cc1,ZAKPROUUHBONBE-UHFFFAOYSA-N,3,1,0.272,98,213,433.439,2.501,6,0.412,0.73,1.0,0.05394592557055719,0.05067336029059009,0.13393530258378453,0.1626087999451717,0.10029084709752586
EOS-3-06739,Cc1ccc(-c2cccc(-c3nnc4cncc(COc5cncc(CO)c5)n34)c2)nn1,GASQHIQTAAFHAQ-UHFFFAOYSA-N,3,1,0.366,14,351,425.452,3.023,5,0.442,0.8,1.0,0.2712117058460695,0.18371770269344118,0.4844510314577479,0.3782725652799671,0.32941325131930643
EOS-3-06740,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)n1,ZOZPSAMWYDSINP-UHFFFAOYSA-N,3,1,0.535,89,731,426.44,2.265,5,0.441,0.73,1.0,0.34570968405181274,0.1512661914879035,0.287574532245905,0.1519601123980536,0.23412763004591872
EOS-3-06741,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5csnn5)cn4)n23)cc1,CENCFLRNJBDHHI-UHFFFAOYSA-N,3,1,0.418,14,357,446.471,2.794,5,0.442,0.68,1.0,0.10941676375848125,0.20179391405661024,0.3055650743609074,0.2476869302994997,0.21611567061887466
EOS-3-06742,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5cnccn5)cn4)n23)cc1,LKLXENPEANTXFQ-UHFFFAOYSA-N,3,1,0.451,89,408,427.428,1.706,5,0.434,0.75,1.0,0.3007076279898568,0.14007778767733534,0.17117572476183948,0.07741073264341032,0.1723429682681105
EOS-3-06743,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(O)C5)nc4)n23)cn1,HZYHOKDAIFELRO-UHFFFAOYSA-N,3,1,0.326,63,169,430.428,0.554,5,0.476,0.75,1.0,0.019618257830169284,0.004120690836817216,0.003932218490850525,0.004917414844767322,0.008147145500651086
EOS-3-06744,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4cccc(C)n4)n23)cc1,LSZAOLPQRYPXRM-UHFFFAOYSA-N,3,1,0.347,74,124,424.468,2.922,5,0.476,0.71,1.0,0.07227057775340964,0.05068192721540676,0.20117709546981016,0.1129463367829484,0.10926898430539375
EOS-3-06745,CC1(NC(=O)c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cc2)CCC1,LDEBSFOGYYYHHM-UHFFFAOYSA-N,3,1,0.517,63,536,450.449,3.716,5,0.45,0.78,1.0,0.6311339181687341,0.2518333219107669,0.2688129668974025,0.36538791035569873,0.3792920293331506
EOS-3-06746,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(OC(F)F)nc5)cn4)n23)cc1,QWUZMQHSHKXPRV-UHFFFAOYSA-N,3,1,0.396,74,837,460.404,3.011,5,0.409,0.79,1.0,0.5137156466314852,0.4543040230278939,0.6715184017545062,0.5404358851346721,0.5449934891371393
EOS-3-06747,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cc2)n1,MMUXGXHDPQPWKW-UHFFFAOYSA-N,3,1,0.296,98,373,435.455,2.444,6,0.414,0.71,1.0,0.12012541977931601,0.08393872935371119,0.11710129531903228,0.12217291481049962,0.11083458981563978
EOS-3-06748,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)cn1,RAASOQBIOAMVLD-UHFFFAOYSA-N,3,1,0.556,73,446,436.838,3.353,5,0.417,0.76,1.0,0.7066684942772942,0.8517750668220135,0.45996676033171136,0.5139383866767185,0.6330871770269344
EOS-3-06749,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nn[nH]n5)nc4)n23)ccc1Cl,OTPCFMADVPUCSX-UHFFFAOYSA-N,3,1,0.517,36,6,430.819,2.47,5,0.444,0.73,1.0,0.772333972997053,0.7961243232129395,0.5159002124597355,0.5470581180179562,0.657854156671921
EOS-3-06750,Cn1c(CO)nnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,AUHUCAYOGSBKLL-UHFFFAOYSA-N,3,1,0.361,50,243,435.398,2.474,5,0.447,0.74,0.858,0.25257864436981703,0.2773798917140703,0.2801041738057707,0.2834881091083545,0.27338770474950314
EOS-3-06751,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)c(F)c4)n23)nn1,SVRMNXZAYZSBMC-UHFFFAOYSA-N,3,1,0.312,52,802,470.443,3.481,6,0.392,0.86,1.0,0.23079295456103077,0.3030892330888904,0.3421544102528956,0.4876379274895484,0.3409186313480913
EOS-3-06752,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cc2)n(C)n1,XKNFBFPTERCQEF-UHFFFAOYSA-N,3,1,0.369,9,508,448.494,3.358,6,0.407,0.75,1.0,0.12013398670413268,0.03974196422452197,0.13716503323966828,0.12661914879035022,0.10591503323966828
EOS-3-06753,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)n1C,OTYZSUILIIODGY-UHFFFAOYSA-N,3,1,0.324,25,508,448.494,3.358,6,0.407,0.75,1.0,0.14762524844081967,0.08721986155849497,0.20474093619354397,0.1926016037283257,0.15804691248029606
EOS-3-06754,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)cc1,RICBEEHCIARRLK-UHFFFAOYSA-N,3,1,0.382,3,973,426.375,2.623,6,0.418,0.8,1.0,0.12857240764855046,0.19235316290864232,0.18741004728942498,0.2745099719004866,0.19571139743677607
EOS-3-06755,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cn1,HUKASHOKVRYAGS-UHFFFAOYSA-N,3,1,0.304,10,195,435.426,3.635,6,0.417,0.74,0.995,0.01684257418956891,0.13251319306421766,0.42405421150023986,0.4816924816667809,0.26377561510520187
EOS-3-06756,COc1ccc2nc(OC)c(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cc2c1,USQFIJXZCSBCRK-UHFFFAOYSA-N,3,1,0.343,14,290,441.451,2.441,5,0.425,0.76,0.999,0.38247035844013433,0.22658659447604687,0.1943492563909259,0.08969570283051195,0.22327547803440478
EOS-3-06757,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncs5)cn4)n23)cc1,BZVKRNWVJYETIC-UHFFFAOYSA-N,3,1,0.588,89,744,429.465,2.988,5,0.44,0.75,1.0,0.43361489959564115,0.2212579672400795,0.33509526420396135,0.21847371667466248,0.3021104619285861
EOS-3-06758,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,MMTFJJMZBHKCSH-UHFFFAOYSA-N,3,1,0.315,8,42,436.439,3.182,6,0.4,0.75,1.0,0.13150229593585086,0.08722842848331162,0.047323692687272975,0.0754746076348434,0.08538225618531972
EOS-3-06759,NCc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccn4)n23)cn1,GRHMAVWNRDOWGK-UHFFFAOYSA-N,3,1,0.433,46,160,428.431,2.82,5,0.439,0.74,1.0,0.4813155369748475,0.35712939483243095,0.4091134946199712,0.43191008155712424,0.41986712699609346
EOS-3-06761,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncn(C)n6)cc5)n34)nc2)cn1,HMBBLAGHODVRBV-UHFFFAOYSA-N,3,1,0.301,98,714,434.467,3.049,6,0.42,0.73,1.0,0.0722791446782263,0.0735556164759098,0.28758309917072167,0.23314885888561443,0.16664167980261804
EOS-3-06762,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)cc1)N1CCCC1,SHRIICQJKUYDTK-UHFFFAOYSA-N,3,1,0.422,0,829,483.532,2.562,6,0.439,0.9,1.0,0.02278802001233637,0.002450140497566993,9.423617298334589e-05,0.0004883147145500651,0.006455177849359194
EOS-3-06763,CNC(=O)c1ccc(-c2nnc3cncc(Cc4nnc(C(F)(F)F)n4C)n23)cn1,CZRPGAUUWHWTBZ-UHFFFAOYSA-N,3,1,0.392,68,455,417.355,1.284,4,0.532,0.76,1.0,0.15615790555822082,0.22659516140086355,0.1403262284970187,0.061407717085874856,0.1461217531354945
EOS-3-06764,CNC(=O)c1ccc(-c2nnc3cncc(OCc4csc(-c5nccn5C)c4)n23)cc1,FMPMXSCKLBHKMU-UHFFFAOYSA-N,3,1,0.511,89,731,445.508,3.192,5,0.431,0.77,1.0,0.5188472345966691,0.272282571448153,0.23307175656226442,0.11038482626276472,0.2836465972174628
EOS-3-06765,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ncnnc3-c3ccc(Cl)cn3)n12,KAHVTMYOCFJLMO-UHFFFAOYSA-N,3,1,0.353,74,768,443.858,2.766,5,0.447,0.68,0.866,0.2005774107326434,0.22126653416489617,0.21508978137207868,0.24769549722431636,0.22115730587348364
EOS-3-06766,c1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccncc5)n34)nc2)nc1,LZUJFVJJNMSJEZ-UHFFFAOYSA-N,3,1,0.273,86,790,430.435,3.162,6,0.415,0.76,1.0,0.11772668083064904,0.08394729627852786,0.15531834692618737,0.18430025358097457,0.13532314440408472
EOS-3-06767,c1cncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)c1,JNDCJNXPYCLINE-UHFFFAOYSA-N,3,1,0.286,70,957,430.435,3.162,6,0.415,0.76,1.0,0.09208587485436227,0.09958193406894661,0.24019087108491535,0.2894249880063053,0.1803209170036324
EOS-3-06768,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cc1F,JKMFVNRDVPWNQL-UHFFFAOYSA-N,3,1,0.318,62,341,469.455,4.086,6,0.417,0.83,1.0,0.2684617229799191,0.24684737166746626,0.4980124734425331,0.5885391679802618,0.4004651840175451
EOS-3-06769,N#Cc1ccc(-c2nnc3cncc(-c4cnn(Cc5ccc(F)c(Cl)c5)n4)n23)cc1,QWJXCWBEDICDMM-UHFFFAOYSA-N,3,1,0.477,22,331,430.834,3.762,5,0.43,0.81,1.0,0.3708450414639161,0.5536032485778904,0.8071328216023577,0.8766705503392502,0.6520629154958536
EOS-3-06770,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6F)n5)n34)cc2)n1C,INDIFIAJFOIZCG-UHFFFAOYSA-N,3,1,0.314,3,973,452.457,3.282,6,0.404,0.74,1.0,0.09941916249742992,0.25184188883558356,0.19774175861832635,0.24473990816256597,0.19843567952847646
EOS-3-06771,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)nc4)n23)cc1,XDTXFOIAIQRJBE-UHFFFAOYSA-N,3,1,0.54,89,770,472.896,3.235,5,0.4,0.8,1.0,0.7460763484339662,0.5123021040367349,0.3538653964772805,0.26273045027756836,0.4687435748063875
EOS-3-06772,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccncn5)c4)n23)c1,IQSKIBYOKAMJFX-UHFFFAOYSA-N,3,1,0.297,39,972,436.414,3.03,6,0.414,0.75,0.998,0.004814611746967308,0.0662651634569255,0.3019498320882736,0.3843379480501679,0.18934188883558356
EOS-3-06773,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnnn4-c4ccccc4)n23)cc1,GKRUAPFFMCDQGI-UHFFFAOYSA-N,3,1,0.31,39,144,436.414,3.03,6,0.414,0.75,0.936,0.0332653690631211,0.10622130080186416,0.15532691385100406,0.3112106778150915,0.1515060653827702
EOS-3-06774,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3scnc3-c3cccc(F)c3)n12,NZECAENIHRJDCV-UHFFFAOYSA-N,3,1,0.374,96,3,430.468,4.128,5,0.462,0.77,0.998,0.12858097457336715,0.2620193955177849,0.49444863271879924,0.48764649441436503,0.3431738743060791
EOS-3-06775,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)cc1,PKKKKQVLJQKMER-UHFFFAOYSA-N,3,1,0.57,79,650,435.487,4.397,5,0.428,0.87,1.0,0.757556027688301,0.3521434445891303,0.6771040367349737,0.5794325269001439,0.5915590089781373
EOS-3-06776,Cc1ncc(OCc2cncc(F)c2)c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,ZDOMAYJFIGOTJG-UHFFFAOYSA-N,3,1,0.398,74,333,456.441,2.769,5,0.412,0.76,0.906,0.5526180522239736,0.4498063874991433,0.36854910561304915,0.2659344801590021,0.40922700637379206
EOS-3-06777,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5ccccc5)cnc4F)n23)cc1,IMPMADXHPNWRHT-UHFFFAOYSA-N,3,1,0.341,62,302,450.477,4.552,6,0.397,0.9,1.0,0.25000856692481666,0.23637002261668152,0.5293759851963539,0.6131433760537317,0.40722448769789593
EOS-3-06778,O=C(c1ccc(-c2cncc3nnc(-c4cccc(-c5ccnnc5)n4)n23)nn1)N1CCCCC1,JCLVHKJCXZDRNR-UHFFFAOYSA-N,3,1,0.337,52,546,464.493,2.726,6,0.394,0.79,1.0,0.002475841272016997,0.0005825508875334111,0.000668220135700089,0.0025872112946336784,0.001578455897471044
EOS-3-06779,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)cn2)cn1,CBAYNBUBXMFBHE-UHFFFAOYSA-N,3,1,0.266,94,342,431.463,3.711,6,0.419,0.78,0.997,0.06833835926255911,0.02534096360770338,0.3801230210403673,0.39685422520731956,0.21766414227948733
EOS-3-06780,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)cc1,LUAHDQAAKCQPGF-UHFFFAOYSA-N,3,1,0.333,38,818,431.463,3.711,6,0.419,0.78,1.0,0.060987937769858135,0.03362517990542115,0.4021143170447536,0.39686279213213627,0.2233975567130423
EOS-3-06781,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cc4)n23)cc1,PDLULWOUHFBHSZ-UHFFFAOYSA-N,3,1,0.333,9,98,431.463,3.711,6,0.419,0.78,1.0,0.08977280515386198,0.0432458364745391,0.4021228839695703,0.40614933863340413,0.23532271605784388
EOS-3-06782,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cn1,QRPKGVIWQVAUPL-UHFFFAOYSA-N,3,1,0.302,99,866,454.433,1.978,6,0.392,0.74,1.0,0.1922503598108423,0.2931858680008224,0.0981769583990131,0.13746487560825166,0.18026951545473235
EOS-3-06783,CNC(=O)c1cc(-c2nnc3cncc(Cc4cnc(C)c(F)c4)n23)ccc1Cl,XPOHAVICEWXHGY-UHFFFAOYSA-N,3,1,0.4,90,9,410.84,3.238,4,0.558,0.9,0.999,0.3262798985676102,0.4047529298882873,0.6254026454663834,0.5917688986361456,0.4870510931396066
EOS-3-06784,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)nn1,LPGUKDIIDCBQPU-UHFFFAOYSA-N,3,1,0.305,52,523,453.441,2.737,6,0.403,0.76,0.997,0.19769035706942636,0.18802686587622508,0.08398156397779453,0.16261736686998834,0.15807903844835858
EOS-3-06785,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)c1,ZFOUJYFXLAKJNG-UHFFFAOYSA-N,3,1,0.31,10,543,448.425,3.301,6,0.4,0.76,1.0,0.1895346446439586,0.28255431430333766,0.2579244054554177,0.35524467137276405,0.27131450894386955
EOS-3-06786,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccnc(F)c5)ncn4)n23)cc1F,QQYOIJMTWBXEAL-UHFFFAOYSA-N,3,1,0.358,14,357,458.432,2.872,5,0.403,0.74,1.0,0.32373552189705984,0.27229113837296964,0.5626584881091083,0.4876550613391817,0.4115850524295799
EOS-3-06787,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)ncn1,CVBQWIMJXBOAQJ-UHFFFAOYSA-N,3,1,0.375,89,310,464.489,3.636,6,0.404,0.82,1.0,0.42473099856075663,0.15524981152765405,0.18741861421424166,0.15196867932287025,0.22984202590638067
EOS-3-06788,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnc(C)cn5)n4)n23)nc1,LGIUXUZJWFZQPW-UHFFFAOYSA-N,3,1,0.374,85,647,455.457,2.436,5,0.429,0.68,1.0,0.19769892399424302,0.17963127955589062,0.14609176889863615,0.09564971557809608,0.15476792200671646
EOS-3-06789,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ncnn1C,DSFYRVVSVQQIPU-UHFFFAOYSA-N,3,1,0.494,13,209,435.394,3.666,5,0.416,0.78,1.0,0.542217805496539,0.5034781714755672,0.6960026728805428,0.6098536769241313,0.587888081694195
EOS-3-06790,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(CC(C)C)cc4)n23)cc1,UXCXYFIFSZVINL-UHFFFAOYSA-N,3,1,0.557,0,576,415.497,3.928,4,0.495,0.89,1.0,0.6642707833596052,0.2825628812281543,0.5854979096703448,0.3265968747858269,0.46473211226098277
EOS-3-06791,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5nccn5C)n(C(C)(C)C)n4)n23)cc1,OZABBOYOALTFOR-UHFFFAOYSA-N,3,1,0.322,74,333,456.514,2.565,5,0.441,0.73,1.0,0.08978137207867863,0.033633746830237815,0.012833253375368378,0.001353574121033514,0.034400486601329584
EOS-3-06792,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccnc(C)n5)c4)n23)cn1,BHBBGJQHFRVNOJ-UHFFFAOYSA-N,3,1,0.483,4,205,427.443,3.978,5,0.419,0.83,1.0,0.7491604413679666,0.7313155369748475,0.6405404016174354,0.5268059077513536,0.6619555719279008
EOS-3-06794,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cc4)n23)cc1)N1CCC1,CLKITSVULNSHKR-UHFFFAOYSA-N,3,1,0.382,62,376,450.477,4.505,6,0.403,0.86,1.0,0.23080152148584743,0.23637858954149818,0.17118429168665616,0.3910629840312521,0.2573568466863135
EOS-3-06796,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)c2)n1,MZCLMOJYOXVPJV-UHFFFAOYSA-N,3,1,0.352,30,553,431.463,3.711,6,0.419,0.81,1.0,0.10192927146871358,0.05442567336029059,0.3091717497087246,0.3297752038928106,0.19882547460763483
EOS-3-06797,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1cccc(C#N)c1,OTIUHFGNVGLELA-UHFFFAOYSA-N,3,1,0.571,43,570,443.417,3.921,5,0.409,0.82,1.0,0.5916403947638955,0.5305153861969707,0.8902062915495854,0.8837125625385511,0.7240186587622506
EOS-3-06798,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(F)cc5)c4)n23)cc1,LZCLSUXMLLCVBO-UHFFFAOYSA-N,3,1,0.522,89,398,469.48,3.587,6,0.391,0.84,1.0,0.40008395586320333,0.22127510108971285,0.3912000548283188,0.422375094236173,0.358733551504352
EOS-3-06799,Cn1ncnc1-c1cc(F)cc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)c1,CDKHKPIMARDGBY-UHFFFAOYSA-N,3,1,0.357,82,336,430.447,3.015,5,0.467,0.7,0.999,0.2170002056061956,0.30309780001370706,0.5982454937975464,0.41908539510657256,0.3843572236310054
EOS-3-06800,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccnnc5)s4)n23)cc1,OIMIBBZNPQYCKH-UHFFFAOYSA-N,3,1,0.392,14,357,427.493,3.26,5,0.462,0.7,1.0,0.18090775135357412,0.07356418340072647,0.3128383935302584,0.21848228359947913,0.19644815297100954
EOS-3-06801,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)cc1,OBRUPMUYIIBAPV-UHFFFAOYSA-N,3,1,0.29,25,213,433.439,2.501,6,0.412,0.74,1.0,0.10694948941128092,0.08723699540812829,0.17465389623740663,0.19785312864094304,0.14167337742443972
EOS-3-06802,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cn1,BCQLTBUPJYCJSD-UHFFFAOYSA-N,3,1,0.319,70,899,433.439,2.501,6,0.412,0.74,1.0,0.0870742238366116,0.08048625865259407,0.10853437050236447,0.13977794530875198,0.10396819957508054
EOS-3-06803,FC(F)Oc1ccc(-c2nnc3cncc(Oc4nccc(-c5cccnn5)n4)n23)cc1,YHRKMMSYLIGELI-UHFFFAOYSA-N,3,1,0.561,72,996,434.366,3.432,5,0.396,0.78,0.936,0.8244551435816599,0.7360444794736481,0.6548471660612707,0.5698461380302926,0.6962982317867178
EOS-3-06804,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cnc(Cl)cn5)cc4F)n23)cc1,BSEFHQJJZFHSKK-UHFFFAOYSA-N,3,1,0.402,14,357,460.86,3.126,5,0.427,0.7,0.993,0.2736789801932698,0.3184754300596258,0.542783222534439,0.5234562401480365,0.4145984682338428
EOS-3-06805,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cc2)no1,QVGWFPCOBOXMLR-UHFFFAOYSA-N,3,1,0.303,98,42,436.439,3.007,6,0.41,0.74,1.0,0.13151086286066754,0.09959050099376328,0.10580152148584744,0.097534439037763,0.1086093310945103
EOS-3-06806,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1)N1CCCC1,NXVSIWIRCYTKOW-UHFFFAOYSA-N,3,1,0.367,62,376,446.514,4.756,6,0.398,0.91,1.0,0.07228771160304297,0.014358165992735247,0.03036974847508738,0.15734014118292097,0.06858894181344664
EOS-3-06807,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)c1,COTBJPKTUCPWGC-UHFFFAOYSA-N,3,1,0.333,30,298,435.426,3.635,6,0.417,0.75,0.815,0.01044308135151806,0.1552583784524707,0.3538739634020972,0.4695874169008293,0.2472907100267288
EOS-3-06808,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)c1,NAHZYXVJFKKFNW-UHFFFAOYSA-N,3,1,0.293,10,356,438.39,1.82,6,0.4,0.75,0.889,0.002998423685833733,0.09654924268384621,0.03282845589747104,0.09360222054691247,0.056494585703515864
EOS-3-06809,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1)N1CCCC1,DXOTWXQGGWXQDL-UHFFFAOYSA-N,3,1,0.391,62,366,446.514,4.756,6,0.398,0.92,0.999,0.09456171612637927,0.02768830100747036,0.027045781646220273,0.16520457816462203,0.07862509423617298
EOS-3-06810,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)c1,ZWGPSKLLAYVOMP-UHFFFAOYSA-N,3,1,0.314,39,527,438.39,1.82,6,0.4,0.73,0.997,0.007838736207251045,0.10622986772668083,0.03678637516277157,0.09361078747172914,0.06111644164210815
EOS-3-06811,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)c(F)c1,BTQIWLOPUMGQGN-UHFFFAOYSA-N,3,1,0.287,39,495,451.429,2.64,6,0.398,0.74,0.999,0.18954321156877527,0.23638715646631486,0.15245699403742033,0.23315742581043108,0.20288619697073537
EOS-3-06812,FC(F)(F)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cn1,KMYHJRRPAGHWJO-UHFFFAOYSA-N,3,1,0.547,66,455,425.296,3.605,4,0.467,0.75,1.0,0.3571722294565143,0.516893975738469,0.9908933589198822,0.9590586663011446,0.7060045576040025
EOS-3-06813,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cc1F,AQGMKKMTJSEMMR-UHFFFAOYSA-N,3,1,0.476,0,21,486.507,2.962,6,0.466,0.96,1.0,0.20319032280172708,0.06974333493249263,0.018290384483585772,0.08436707559454458,0.09389777945308753
EOS-3-06814,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1,RFAZOZUIUHLGON-UHFFFAOYSA-N,3,1,0.324,38,608,432.451,3.106,6,0.418,0.74,1.0,0.09209444177917894,0.04704098416832294,0.19775032554314304,0.18980021931327531,0.13167149270098005
EOS-3-06815,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccncc4-c4cccc(OC)n4)n23)cc1,YPCIKOYSIOLYST-UHFFFAOYSA-N,3,1,0.327,62,139,437.463,3.284,5,0.45,0.72,1.0,0.3410749777259955,0.10955383455554794,0.40581522856555413,0.2360530463984648,0.2731242718113906
EOS-3-06816,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccn5)n4)n23)cc1,UPOIZXRNABOFKQ-UHFFFAOYSA-N,3,1,0.333,98,136,433.439,2.501,6,0.412,0.71,1.0,0.0783188266739771,0.03655506819272154,0.06831265848810911,0.07354704955109313,0.06418340072647523
EOS-3-06817,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(C)nn5)c4)n23)cc1,PJBQCPNJGWCSHK-UHFFFAOYSA-N,3,1,0.523,89,637,452.478,2.89,5,0.418,0.73,1.0,0.5114025769309849,0.20180248098142692,0.25445480090466727,0.13747344253306834,0.27628332533753686
EOS-3-06818,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)cc1,CCXMEQQDVIEBIF-UHFFFAOYSA-N,3,1,0.313,25,213,422.412,2.699,6,0.421,0.8,1.0,0.18955177849359195,0.09021828524432869,0.1553354807758207,0.17889452402165718,0.15350001713384964
EOS-3-06819,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnn5)nn4)n23)cc1,UCNSMFIAQIXZSI-UHFFFAOYSA-N,3,1,0.422,14,740,423.44,1.922,5,0.437,0.75,1.0,0.15347645809060378,0.0697519018573093,0.07710232335001029,0.06458604619285861,0.09122918237269549
EOS-3-06820,COCCc1cn(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,WVSRYRDRFOHMTE-UHFFFAOYSA-N,3,1,0.345,63,334,417.473,2.117,5,0.471,0.83,1.0,0.1315194297854842,0.010999931464601466,0.03679494208758824,0.04221780549653896,0.05538302720855322
EOS-3-06821,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(-c5ccncc5)cn4)n23)c(F)c1,XOGJBYXZYXTTLA-UHFFFAOYSA-N,3,1,0.396,14,257,454.469,3.359,5,0.405,0.79,1.0,0.16963367829483927,0.15127475841272017,0.4810242615310808,0.3490165170310465,0.2877373038174217
EOS-3-06822,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5nc(C)cs5)nc4)n23)nc1,VGUUONIDGPBKMX-UHFFFAOYSA-N,3,1,0.344,33,647,456.535,3.158,5,0.418,0.73,0.454,0.07417243506270989,0.027696867932287025,0.05644746761702419,0.02725995476663697,0.04639418134466452
EOS-3-06823,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)n1,PFCHJWXRQNTGSB-UHFFFAOYSA-N,3,1,0.253,98,495,447.466,2.809,6,0.401,0.76,0.962,0.040333082036872046,0.04325440339935577,0.05826365567815777,0.07548317455966007,0.05433357891851141
EOS-3-06824,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cc1=O,YGDKHGXXZCPAOK-UHFFFAOYSA-N,3,1,0.473,16,55,445.87,3.179,5,0.409,0.78,1.0,0.5448564183400727,0.4454372558426427,0.5495767939140566,0.547066684942773,0.5217342882598863
EOS-3-06825,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nc2)c1,GSBWEMGNVMSJRU-UHFFFAOYSA-N,3,1,0.435,46,119,433.834,4.015,5,0.413,0.81,1.0,0.6086714412994312,0.6934754300596258,0.687744157357275,0.7481923788636831,0.6845208518950038
EOS-3-06826,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nn5)cn4)n23)cc1,DKKKANMLLKYZRY-UHFFFAOYSA-N,3,1,0.522,89,22,442.414,2.46,5,0.424,0.7,1.0,0.5716366253169762,0.29816325131930643,0.420053457610856,0.3049225549996573,0.398693972311699
EOS-3-06827,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cn(C)nn6)c5)n34)cc2)nn1,RCEUFAFRSSHYKG-UHFFFAOYSA-N,3,1,0.364,25,764,434.467,3.049,6,0.42,0.74,1.0,0.05921458433280789,0.04704955109313961,0.28011274073058734,0.27451853882530325,0.1652238537454595
EOS-3-06828,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)n1,FPRSTNDIWWGLCV-UHFFFAOYSA-N,3,1,0.522,89,512,468.481,1.848,6,0.379,0.81,0.999,0.3547991912822973,0.07357275032554314,0.02705434857103694,0.027268521691453634,0.12067370296758276
EOS-3-06829,O=C(NCc1cncc(F)c1)c1ccc(-c2nnc3cncc(-c4cc(F)nc(F)c4)n23)nc1,LLGBOWDEDQMFEN-UHFFFAOYSA-N,3,1,0.3,46,155,462.395,2.991,5,0.4,0.76,0.99,0.3847662942910013,0.31328387362072513,0.6685713796175725,0.6246487560825166,0.49781757590295383
EOS-3-06830,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,IRHXHZHHELAJIO-UHFFFAOYSA-N,3,1,0.436,89,926,467.493,2.453,6,0.387,0.81,1.0,0.3033719416078404,0.12218148173531629,0.11988554588444932,0.10395963265026387,0.16234965046946748
EOS-3-06831,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)c(F)c4)n23)cc1,GYRGRAVQJVJSAC-UHFFFAOYSA-N,3,1,0.342,25,508,450.441,3.245,6,0.402,0.74,1.0,0.2500171338496333,0.24685593859228291,0.4058237954903708,0.4601980673017614,0.3407237338085121
EOS-3-06832,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncnn5C)ccn4)n23)cc1F,DCDYUBZUOCVQSY-UHFFFAOYSA-N,3,1,0.505,89,788,459.445,2.06,5,0.409,0.74,0.988,0.4131570831334384,0.3031063669385238,0.23651566033856486,0.14692276060585294,0.274925467754095
EOS-3-06833,Fc1ccc(-c2cnc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2)cc1Cl,IWCMZNMUFJBGQC-UHFFFAOYSA-N,3,1,0.561,37,393,448.849,3.452,5,0.389,0.77,1.0,0.7809694332122541,0.7541121239120006,0.5049688163936673,0.6034456171612638,0.6608739976697964
EOS-3-06834,Cc1noc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cnn2)n1,FPENMDXJDQZJFL-UHFFFAOYSA-N,3,1,0.474,89,398,469.465,2.411,6,0.377,0.84,1.0,0.33632033445274484,0.1062384346514975,0.03283702282228771,0.0319888972654376,0.12684617229799192
EOS-3-06835,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(F)cn5)cn4)n23)cc1,TVIDJZSYHSXBGW-UHFFFAOYSA-N,3,1,0.418,89,310,468.452,3.467,6,0.402,0.84,1.0,0.594647385374546,0.3424199849222123,0.21509834829689534,0.22409361935439653,0.3440648344870125
EOS-3-06836,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cn6ccccc6n5)cc4F)n23)cc1,WYSCXIHDTOBOFP-UHFFFAOYSA-N,3,1,0.396,62,319,463.476,3.935,6,0.417,0.76,1.0,0.3187667055033925,0.25668220135700087,0.6823983962716743,0.6508207113974368,0.4771670036323762
EOS-3-06837,Cn1nncc1-c1nc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ccc1F,MEBLNNQLXQYOET-UHFFFAOYSA-N,3,1,0.423,85,740,429.419,1.811,5,0.451,0.67,1.0,0.1339695702830512,0.19692790076074293,0.16484476732232198,0.137482009457885,0.15830606195600028
EOS-3-06838,Cc1nc(-c2ccc(F)cn2)c(-c2cncc3nnc(-c4ccc(C(=O)O)cc4)n23)n1C,QHHYFOXOZYRVKP-UHFFFAOYSA-N,3,1,0.4,96,140,429.415,3.4,5,0.466,0.74,0.976,0.2736875471180865,0.11262079363991502,0.265086354602152,0.22136933726269617,0.2181910081557124
EOS-3-06839,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,XRDMOKCCMDQHHI-UHFFFAOYSA-N,3,1,0.361,25,973,421.428,2.434,6,0.46,0.76,1.0,0.1393153313686519,0.10956240148036461,0.06233294496607498,0.08970426975532862,0.10022873689260503
EOS-3-06840,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccn(C)n5)c4)n23)cn1,ZYPUVIHBCHAMIO-UHFFFAOYSA-N,3,1,0.467,92,879,441.455,1.92,5,0.424,0.74,1.0,0.37555685011308343,0.18372626961825783,0.14935576725378658,0.06459461311767528,0.1933083750257008
EOS-3-06841,Cc1cc(-c2cccnc2F)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)cn3)n12,IVUNNKCOLWYBPA-UHFFFAOYSA-N,3,1,0.317,96,523,425.427,3.462,5,0.441,0.79,0.996,0.2088359262559112,0.19693646768555959,0.5823795490370777,0.5234648070728531,0.3779041875128504
EOS-3-06842,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(Cl)cc4)n23)nc1,MUQOJRFFASNXIG-UHFFFAOYSA-N,3,1,0.333,52,523,457.881,4.054,6,0.423,0.8,0.999,0.255003084092934,0.31848399698444246,0.19435782331574258,0.352306216160647,0.2800377801384415
EOS-3-06843,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccnnc5)nc4)n23)c(F)c1,JLRHSUFOACSXRJ-UHFFFAOYSA-N,3,1,0.34,99,219,452.417,2.035,6,0.39,0.74,1.0,0.21410458501816187,0.2722997052977863,0.14936433417860326,0.20075731615379344,0.2091314851620862
EOS-3-06844,COc1cnc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)n2)cn1,ZMJFTNSSPPSHFS-UHFFFAOYSA-N,3,1,0.286,33,432,467.453,1.396,6,0.384,0.79,0.631,0.25002570077445,0.09337091357686245,0.007941539305051058,0.005131587965184018,0.08911743540538689
EOS-3-06845,CONC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nn[nH]n5)cc4)n23)cc1,PXYSYSIUGXBXKQ-UHFFFAOYSA-N,3,1,0.524,89,499,443.427,1.842,5,0.36,0.86,1.0,0.6255140154890001,0.27230827222260295,0.30557364128572406,0.16778322253443903,0.34279478788294154
EOS-3-06846,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)nc4)n23)cc1,OXXJBQQILVSMOV-UHFFFAOYSA-N,3,1,0.478,89,707,440.427,1.372,5,0.411,0.71,1.0,0.6142485093550819,0.2160407100267288,0.09557261325474607,0.043451442670139125,0.242328318826674
EOS-3-06847,c1cc(-c2ccc(-c3nnc4cncc(-c5nccc(-c6cnccn6)n5)n34)nc2)ccn1,GVGRHFBKSQBBHT-UHFFFAOYSA-N,3,1,0.266,86,957,430.435,3.162,6,0.415,0.75,1.0,0.0805547940511274,0.08724556233294496,0.21852511822356246,0.24474847508738262,0.15776848742375438
EOS-3-06848,CC(c1ccccc1)c1ncnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,YJZMMPVSANVLGC-UHFFFAOYSA-N,3,1,0.316,52,302,462.517,3.687,6,0.41,0.79,1.0,0.16685799465423892,0.05443424028510726,0.13717360016448496,0.1469313275306696,0.12634929065862519
EOS-3-06849,Cc1c(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)ccn2)cnn1C,JIUSSDATVVFJOD-UHFFFAOYSA-N,3,1,0.457,92,205,441.455,1.968,5,0.422,0.75,1.0,0.3139178260571585,0.1472226029744363,0.10581008841066411,0.04474504831745597,0.1529238914399287
EOS-3-06850,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccc5)n4)n23)nc1,SUQVMFUATWXRRZ-UHFFFAOYSA-N,3,1,0.316,32,301,431.463,3.711,6,0.419,0.77,0.999,0.11197827427866493,0.050690494140223426,0.22220032896991296,0.23316599273524777,0.15450877253101228
EOS-3-06851,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)cc1,HPNJISFRYQSDDI-UHFFFAOYSA-N,3,1,0.329,38,57,431.463,3.711,6,0.419,0.77,1.0,0.0897899390034953,0.050699061065040095,0.3912086217531355,0.3813309574395175,0.2282571448152971
EOS-3-06852,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,OIIDYOLCSYUKQY-UHFFFAOYSA-N,3,1,0.333,38,787,431.463,3.711,6,0.419,0.77,1.0,0.08056336097594408,0.05444280720992393,0.31672777739702557,0.32978377081762733,0.19537942910013023
EOS-3-06853,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)n1C,MHBBPNKOLFGCSJ-UHFFFAOYSA-N,3,1,0.252,10,871,434.467,3.143,6,0.42,0.75,0.735,0.013621410458501817,0.023087862380919744,0.11108731409773148,0.10820026043451443,0.06399921184291686
EOS-3-06854,CCn1nc(C)nc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)n1,XLMBYPOIFDCGAG-UHFFFAOYSA-N,3,1,0.324,74,423,439.483,2.8,5,0.448,0.7,1.0,0.07832739359879377,0.04326297032417244,0.02822801727092043,0.013818449729285176,0.04090920773079295
EOS-3-06855,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)ncc5OC)cc4)n23)cc1C,SKEGAVIQETVRMF-UHFFFAOYSA-N,3,1,0.322,62,124,465.517,3.9,5,0.419,0.83,1.0,0.35941676375848125,0.10300013707079707,0.36117298334589815,0.18430882050579125,0.25197467617024194
EOS-3-06856,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nnnn6C)c5)n34)cc2)n1,UEPXQVBMRDGUJD-UHFFFAOYSA-N,3,1,0.273,98,112,448.454,2.204,6,0.394,0.75,1.0,0.07620279624426016,0.03975053114933863,0.05097320265917346,0.05697005003084093,0.055974145020903296
EOS-3-06857,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,RONATNIIRNJEIC-UHFFFAOYSA-N,3,1,0.338,64,885,447.437,3.906,6,0.4,0.81,1.0,0.27369611404290317,0.3132924405455418,0.5224796107189363,0.6067867178397642,0.42906372078678634
EOS-3-06858,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)n(C)n5)ccn4)n23)cc1,HOINFUAJWYOUCQ-UHFFFAOYSA-N,3,1,0.495,89,398,454.494,2.834,5,0.42,0.75,0.999,0.3363289013775615,0.15907922692070453,0.2472585840586663,0.09754300596257967,0.21005242957987802
EOS-3-06859,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5ncccn5)cn4)n23)cc1Cl,JIENYSLGFPFEMP-UHFFFAOYSA-N,3,1,0.538,73,756,434.822,3.41,5,0.414,0.74,1.0,0.9129000753889384,0.9362449455143582,0.5088582002604345,0.560062709889658,0.7295164827633472
EOS-3-06860,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ncn2)cc1,CMDLFQPKCZHWRZ-UHFFFAOYSA-N,3,1,0.429,44,488,434.822,3.41,5,0.414,0.74,1.0,0.6060413953807141,0.639598039887602,0.5293845521211706,0.6067952847645809,0.595454818038517
EOS-3-06861,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)cc4OCC)n23)cc1,KYENASOZHSFYDN-UHFFFAOYSA-N,3,1,0.424,0,999,453.449,4.208,4,0.43,0.83,0.996,0.5661537934343088,0.4989976697964499,0.7924405455417723,0.5976458090603797,0.6138094544582277
EOS-3-06862,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5F)cc4F)n23)cc1,PIRCECUHVACNCL-UHFFFAOYSA-N,3,1,0.429,83,472,445.404,4.642,5,0.437,0.83,1.0,0.40650058255088756,0.49900623672126654,0.9604208073469948,0.9572510451648276,0.7057946679459941
EOS-3-06863,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)c1,RVMUIJZNLJIOEF-UHFFFAOYSA-N,3,1,0.337,3,158,435.426,3.635,6,0.417,0.76,1.0,0.03069529161812076,0.2266037283256802,0.4310362552258241,0.5534918785552738,0.3104567884312247
EOS-3-06864,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,HPRNSMAPVOCQPN-UHFFFAOYSA-N,3,1,0.299,30,748,435.426,3.635,6,0.417,0.76,1.0,0.004086423137550545,0.09959906791857995,0.41639538071413884,0.5441110958810226,0.26604799191282297
EOS-3-06865,Cc1ncc(-c2nnc3cncc(-c4ncccc4OCc4ccc(C#N)c(F)c4)n23)cn1,LGIHEBSXPSFGLP-UHFFFAOYSA-N,3,1,0.34,82,155,438.426,3.542,5,0.409,0.81,1.0,0.582807895277911,0.6209135768624494,0.7038071413885272,0.6303971626345007,0.634481444040847
EOS-3-06866,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cn1,QDHXHTOEEMFELL-UHFFFAOYSA-N,3,1,0.607,84,73,432.875,3.257,5,0.406,0.79,1.0,0.7096583510383113,0.717505654170379,0.31284696045507504,0.38133952436433416,0.5303376225070249
EOS-3-06867,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5Cl)nc4)n23)c(F)c1,NOSHKWOSBWDKNG-UHFFFAOYSA-N,3,1,0.36,96,139,459.872,4.067,5,0.407,0.83,1.0,0.2525872112946337,0.3521520115139469,0.7192276060585292,0.6942807209923926,0.5045618874648756
EOS-3-06868,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)c5)n34)nc2)cc1,XFCRBIYILCDGAU-UHFFFAOYSA-N,3,1,0.273,42,664,431.463,3.804,6,0.418,0.8,1.0,0.000539716263450072,0.011008498389418135,0.4310448221506408,0.42545062024535674,0.21701091426221644
EOS-3-06869,O=C(NCCF)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccccn5)cnn4)n23)cc1,UIIWNXUDSPCYEM-UHFFFAOYSA-N,3,1,0.39,14,357,454.469,2.933,5,0.402,0.72,1.0,0.08979850592831197,0.04705811801795627,0.22935371119183057,0.1869045987252416,0.1382787334658351
EOS-3-06870,CC1(NC(=O)c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2)CC1,FBJPDQWZVUNFAH-UHFFFAOYSA-N,3,1,0.417,63,108,454.943,3.805,5,0.456,0.78,0.995,0.43609074086765814,0.282571448152971,0.05473408265369063,0.1307484065519841,0.22603616955657596
EOS-3-06871,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)cc1,MSIHSXBCRYKTCM-UHFFFAOYSA-N,3,1,0.333,98,890,435.455,2.444,6,0.414,0.7,1.0,0.09942772942224659,0.08395586320334453,0.11109588102254815,0.11295490370776506,0.10185859433897608
EOS-3-06872,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cn1,YVTWAEWQMYCMSE-UHFFFAOYSA-N,3,1,0.312,86,812,432.451,3.106,6,0.418,0.75,1.0,0.12292680419436638,0.05445137413474059,0.17466246316222328,0.16003015557535466,0.12801769926667123
EOS-3-06873,O=C(NCc1cncc2nnc(-c3cc(-c4ccc(F)cn4)ncn3)n12)c1ccc(Cl)nc1,BZKZJZUAWDGPNN-UHFFFAOYSA-N,3,1,0.4,44,481,461.848,2.761,5,0.396,0.75,0.998,0.2500342676992667,0.2112517990542115,0.3167363443218422,0.3457525186758961,0.28094373243780413
EOS-3-06874,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)c1,FFXWNPKFIHWPLJ-UHFFFAOYSA-N,3,1,0.29,10,356,437.402,2.425,6,0.409,0.71,1.0,0.0007538893838667671,0.058477828798574466,0.17119285861147282,0.28943355493112194,0.12996453293125898
EOS-3-06875,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cn4)n23)cc1,NPPOCRQKFQJPOK-UHFFFAOYSA-N,3,1,0.56,36,895,451.397,2.557,5,0.368,0.83,1.0,0.6400006853539854,0.5169025426632856,0.49802104036734973,0.4444520594887259,0.5248440819683367
EOS-3-06876,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)cc1,ZBELBWKEHGXYLE-UHFFFAOYSA-N,3,1,0.341,3,150,437.442,3.579,6,0.419,0.75,1.0,0.025949215269686795,0.19694503461037627,0.5855064765951614,0.6131519429785485,0.35538816736344325
EOS-3-06877,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-n5ccnn5)cc4)n23)cc1,ZRJWXGGUNOAXCB-UHFFFAOYSA-N,3,1,0.312,64,27,435.426,3.635,6,0.417,0.78,1.0,0.034533273935987936,0.1154735796038654,0.47390514700842984,0.5600712768144747,0.29599581934068947
EOS-3-06878,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)ccn2)cn1,BXJSUTMEQVYRKI-UHFFFAOYSA-N,3,1,0.333,82,155,422.452,3.026,5,0.472,0.72,1.0,0.10447364813926394,0.03045541772325406,0.2875916660955383,0.1843173874306079,0.15170952984716604
EOS-3-06879,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)c(F)c1,OZJUNLXAQKFXPL-UHFFFAOYSA-N,3,1,0.34,22,681,457.408,2.508,6,0.396,0.74,0.997,0.05743266397094099,0.27231683914741966,0.2579329723802344,0.37499143307518334,0.24066847714344458
EOS-3-06880,CC#Cc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)ccc1Cl,JYKSERZHVGLPKD-UHFFFAOYSA-N,3,1,0.427,66,334,416.872,3.162,4,0.516,0.75,1.0,0.26321876499211844,0.2566907682818176,0.49125316976218214,0.37828113220478377,0.34736095881022555
EOS-3-06881,Cc1cc(-c2nnc3cncc(-c4ccc(CO)cc4F)n23)ccc1C(=O)NC1CC1,CJDRUDXVQJSGHU-UHFFFAOYSA-N,3,1,0.34,0,999,417.444,3.29,5,0.52,0.83,1.0,0.35718079638133093,0.2417500514015489,0.5360924542526215,0.5666335412240422,0.4254142108148859
EOS-3-06882,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1F,JLOSAMSVQPBTFU-UHFFFAOYSA-N,3,1,0.338,25,508,450.441,3.245,6,0.402,0.75,1.0,0.26047734905078473,0.32788191350832707,0.32759063806456035,0.38434651497498457,0.3250741038996642
EOS-3-06883,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)n(C)n1,HEYBHDDIXGTIMS-UHFFFAOYSA-N,3,1,0.693,43,11,433.422,3.752,5,0.42,0.79,1.0,0.5946559522993626,0.5261462545404701,0.6310396819957508,0.6034541840860804,0.588824018230416
EOS-3-06884,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1,GNVASKNZBOXFCW-UHFFFAOYSA-N,3,1,0.308,98,213,433.439,2.501,6,0.412,0.73,1.0,0.1285895414981838,0.0839644301281612,0.13718216708930162,0.16003872250017134,0.12744371530395449
EOS-3-06885,Cc1cc(F)cc(NCc2cncc3nnc(-c4cc(-c5ccc(C)nn5)ccn4)n23)c1,FWVFFLOVWKHCPX-UHFFFAOYSA-N,3,1,0.327,14,81,426.459,4.011,5,0.454,0.79,1.0,0.04608148858885614,0.023096429305736414,0.4671544102528956,0.3968713590569529,0.23330092180111028
EOS-3-06886,COc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)c1,NEBVISOILXZFNY-UHFFFAOYSA-N,3,1,0.289,52,582,463.501,3.816,6,0.408,0.84,1.0,0.24186142142416558,0.07358131725035981,0.30918031663354123,0.29532759920498936,0.229987663628264
EOS-3-06887,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(C#N)nc5)s4)n23)cn1,GLNIKUQOFCHCBK-UHFFFAOYSA-N,3,1,0.351,85,516,452.503,3.132,5,0.435,0.73,1.0,0.1447724624768693,0.1435473922280858,0.280121307655404,0.20392707833596052,0.19309206017407993
EOS-3-06888,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)c4)n23)cc1,WYJCWJJWUOBJIC-UHFFFAOYSA-N,3,1,0.489,89,637,464.489,3.115,6,0.39,0.8,1.0,0.45265060653827704,0.12578815708313343,0.23652422726338154,0.2447570420121993,0.26493000822424784
EOS-3-06889,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(C)nn5)cnc4C)n23)cn1,KPAYJGYMIPFTGT-UHFFFAOYSA-N,3,1,0.318,82,974,438.455,2.077,5,0.447,0.68,1.0,0.16429648413405523,0.05848639572339113,0.06633369885545884,0.0282365841957371,0.07933829072716057
EOS-3-06890,Cn1cc(-c2cncc(-c3cncc4nnc(-c5cncnc5-c5cccnc5)n34)c2)cn1,IIDMCPGHFSPGLX-UHFFFAOYSA-N,3,1,0.259,94,967,432.451,3.106,6,0.418,0.77,1.0,0.050664793365773425,0.025349530532520047,0.35388253032691386,0.3425656226440957,0.19311561921732576
EOS-3-06891,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(Cl)c5)ncn4)n23)cc1F,IIVWVCHQLRJIAS-UHFFFAOYSA-N,3,1,0.359,96,802,459.872,4.067,5,0.435,0.77,1.0,0.32116544445205947,0.3665701459803989,0.7192361729833459,0.7324035364265643,0.5348438249605921
EOS-3-06892,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,YOHDGKDDOIQVPC-UHFFFAOYSA-N,3,1,0.359,62,341,467.508,4.199,6,0.419,0.84,0.984,0.16964224521965596,0.18803543280104174,0.4125145637721883,0.4286974847508738,0.29972243163594
EOS-3-06893,Cc1nc(C)c(-c2nnc3cncc(-c4cnc(-c5ccc(C#N)cc5)nc4)n23)nc1Cl,RLTCWHUQVRFESX-UHFFFAOYSA-N,3,1,0.423,82,489,439.87,3.847,5,0.416,0.79,0.998,0.27617195531492017,0.36168699883489824,0.2801298745802207,0.3622010143238983,0.32004746076348434
EOS-3-06894,COC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnccn5)cc4F)n23)cc1,IHADDATZNKHESB-UHFFFAOYSA-N,3,1,0.381,14,319,440.438,3.765,5,0.384,0.83,1.0,0.4247395654855733,0.36657871290521554,0.6797426495785073,0.5600798437392913,0.5077851929271469
EOS-3-06895,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)no5)n34)nc2)n1C,TZOCRVIYWFXFFC-UHFFFAOYSA-N,3,1,0.307,70,77,435.451,3.612,6,0.413,0.82,1.0,0.1722123226646563,0.10624700157631417,0.11710986224384895,0.11532794188198205,0.12772428209170036
EOS-3-06896,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OCc5ccccn5)nc4)n23)cc1Cl,WWAUNBGXNLQYKY-UHFFFAOYSA-N,3,1,0.443,62,648,471.908,3.84,5,0.401,0.9,1.0,0.4502604345144267,0.45431258995271057,0.5495853608388733,0.45070591460489345,0.47621607497772606
EOS-3-06897,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1,NYQYUFAFEXNASA-UHFFFAOYSA-N,3,1,0.338,94,515,447.437,3.906,6,0.4,0.8,1.0,0.32628846549242685,0.4142022479610719,0.47058118017956274,0.5234733739976698,0.43363631690768284
EOS-3-06898,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4C#N)n23)cn1,VBFWTGWNJSOAGR-UHFFFAOYSA-N,3,1,0.304,82,336,436.439,2.212,5,0.452,0.77,0.999,0.20058597765746009,0.13252175998903434,0.1680059625796724,0.10600712768144747,0.1517802069769036
EOS-3-06899,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cocn5)ccc4F)n23)cc1,OFSIKFOHUYGYFM-UHFFFAOYSA-N,3,1,0.557,1,230,430.399,3.263,5,0.439,0.75,1.0,0.8218850661366596,0.37135905695291616,0.6932526900143924,0.5761428277705435,0.615659910218628
EOS-3-06900,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnn(C)n5)cn4)n23)nc1,HGGQALJDOIYILS-UHFFFAOYSA-N,3,1,0.337,33,760,428.416,1.529,5,0.441,0.72,0.999,0.36178123500788156,0.1361027345624015,0.07493489137139332,0.022907956959769722,0.14893170447536153
EOS-3-06901,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cn5)n34)cn2)nc1,INUARTGMBYFRHW-UHFFFAOYSA-N,3,1,0.277,86,812,446.478,3.414,6,0.405,0.77,1.0,0.09210300870399561,0.0397590980741553,0.16801452950448906,0.1419539442121856,0.11045764512370639
EOS-3-06902,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5csnn5)ccc4F)n23)cc1,WHQSATHYWJJUTF-UHFFFAOYSA-N,3,1,0.551,43,909,447.455,3.127,5,0.424,0.77,1.0,0.5088496333356178,0.3616955657597149,0.562667055033925,0.47275717908299636,0.4764923583030635
EOS-3-06903,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncnc5)c4)n23)s1,RMSZELZARFPDNT-UHFFFAOYSA-N,3,1,0.321,85,647,454.519,3.188,6,0.419,0.72,0.291,0.0417551915564389,0.006536563635117538,0.05273798917140703,0.08437564251936125,0.04635134672058118
EOS-3-06904,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc(C(F)F)cn4)n23)cn1,UWTYTGUXAQCDHS-UHFFFAOYSA-N,3,1,0.534,68,127,426.387,1.895,4,0.476,0.67,1.0,0.4987749297512165,0.41421081488588857,0.22936227811664725,0.11992838050853266,0.31556910081557127
EOS-3-06905,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)nc1,DXJCRNVNEVFFQK-UHFFFAOYSA-N,3,1,0.291,52,523,441.43,2.67,6,0.429,0.78,1.0,0.1779007607429237,0.25669933520663424,0.16174354053868822,0.2360616133232815,0.2081013124528819
EOS-3-06906,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)cn5)cn4)n23)cc1,PQTILAOZKZPGFK-UHFFFAOYSA-N,3,1,0.577,73,212,434.822,3.41,5,0.414,0.75,1.0,0.8530429716948804,0.9362535124391749,0.5427917894592557,0.5976543759851963,0.7324356623946268
EOS-3-06907,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5F)n4)n23)cc1,LTAIATHUIYEIEO-UHFFFAOYSA-N,3,1,0.321,3,289,438.43,2.974,6,0.417,0.72,1.0,0.03879103556987184,0.17963984648070727,0.24019943800973204,0.30154718662189023,0.19004437667055035
EOS-3-06908,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)cc1,YTNPVINEBOIAPC-UHFFFAOYSA-N,3,1,0.342,25,508,449.453,3.85,6,0.403,0.78,1.0,0.2576673977109177,0.30814371873072444,0.49445719964361595,0.5570471523541909,0.40432886710986227
EOS-3-06909,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)cc1,YLBMVJKGQASLQY-UHFFFAOYSA-N,3,1,0.341,25,791,449.453,3.85,6,0.403,0.78,1.0,0.22234596669179632,0.26718525118223563,0.4844595983825646,0.5535004454800905,0.38187281543417173
EOS-3-06910,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)cn4)n23)cc1,SLOADQBRHMDXFU-UHFFFAOYSA-N,3,1,0.545,1,744,441.426,3.065,5,0.402,0.76,1.0,0.6427421012953191,0.33243095058597766,0.6196713727640326,0.49375471180864916,0.5221497841134946
EOS-3-06911,NC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cc(F)ccn4)n23)c(Cl)c1,MGURKZIBFCLGIH-UHFFFAOYSA-N,3,1,0.398,39,155,446.833,3.202,5,0.449,0.67,0.996,0.18641628401069152,0.2981718182441231,0.459975327256528,0.5340021245973545,0.3696413885271743
EOS-3-06912,CCOC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)c(F)c4)n23)cc1,KTBMINKJGJKKRS-UHFFFAOYSA-N,3,1,0.347,61,917,444.43,2.965,5,0.38,0.83,1.0,0.3262970324172435,0.37136762387773287,0.2688215338222192,0.23026180522239736,0.29918699883489824
EOS-3-06913,Cc1ccc(-c2cc(-c3nnc4cncc(Cc5ccc(C#N)c(F)c5)n34)nc(C)n2)cn1,WQMZZBVGSXAUNE-UHFFFAOYSA-N,3,1,0.327,14,500,436.454,3.862,5,0.421,0.77,1.0,0.30338050853265713,0.3373912000548283,0.6633626893290384,0.6098622438489479,0.478499160441368
EOS-3-06914,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4F)n23)cc1,USSVKAZOLMLHJH-UHFFFAOYSA-N,3,1,0.307,3,581,455.392,2.769,6,0.425,0.68,1.0,0.2929202933315057,0.3571379617572476,0.412523130697005,0.5502964155986567,0.40321945034610374
EOS-3-06915,Cn1c(-c2ncc(Cl)cn2)nnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,XMDVDYBZPAEUNQ-UHFFFAOYSA-N,3,1,0.38,74,295,472.9,2.589,6,0.413,0.79,0.986,0.14763381536563636,0.2062487149612775,0.012841820300185046,0.03975053114933863,0.10161872044410938
EOS-3-06916,COc1ncc(-c2ccn(C)n2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)o3)n12,BQHUWGVCFIFYQT-UHFFFAOYSA-N,3,1,0.248,52,974,456.466,2.748,6,0.413,0.79,0.964,0.10193783839353025,0.03976766499897197,0.04571311082173943,0.034182030018504554,0.05540016105818655
EOS-3-06917,Cc1nc(-c2ccc(F)cc2F)c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)s1,RBTZBAHATCFCAG-UHFFFAOYSA-N,3,1,0.411,62,3,448.458,4.267,5,0.443,0.76,0.998,0.1561664724830375,0.342428551847029,0.5918374340346789,0.5885477349050785,0.41974504831745596
EOS-3-06918,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(C)N)nc4)n23)cc1F,MNMGSWQGPOPFPM-UHFFFAOYSA-N,3,1,0.361,61,336,429.463,2.982,5,0.467,0.69,1.0,0.2684702899047358,0.3184925639092591,0.45659995887876087,0.3080751833321911,0.33790949900623674
EOS-3-06919,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cncc(C(F)F)c5)n4)n23)cc1,SBYYTXMINBJXQF-UHFFFAOYSA-N,3,1,0.333,74,333,458.432,3.608,5,0.428,0.75,1.0,0.23641285724076486,0.1590877938455212,0.7164262216434789,0.6034627510108971,0.42884740593516546
EOS-3-06920,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)cn1,IFADIXVKJZWHOU-UHFFFAOYSA-N,3,1,0.337,10,952,436.414,3.03,6,0.414,0.75,0.981,0.01962682475498595,0.18804399972585842,0.1907597148927421,0.30808375025700774,0.17662857240764857
EOS-3-06921,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(Cl)c5)n4)n23)cn1,LHTLTKDHMTUYQY-UHFFFAOYSA-N,3,1,0.5,4,401,429.871,4.184,5,0.413,0.83,1.0,0.5858234528133781,0.7313241038996642,0.5564046329929409,0.5825337536837777,0.6140214858474402
EOS-3-06922,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)c(C)n5)cc4F)n23)cn1,JONQPEUQNMPPSX-UHFFFAOYSA-N,3,1,0.346,96,204,453.481,4.031,5,0.441,0.76,1.0,0.29292886025632237,0.28778870536632173,0.48446816530738124,0.3653964772805154,0.3576455520526352
EOS-3-06923,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)n(C)n1,OSWKYJGNLOSUAP-UHFFFAOYSA-N,3,1,0.402,85,357,425.456,1.98,5,0.456,0.7,1.0,0.0827136591049277,0.0584949626482078,0.06426906997464191,0.033136865190871084,0.059653639229662124
EOS-3-06924,COCn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)n1,HOSWCUDUHYFFFD-UHFFFAOYSA-N,3,1,0.295,52,295,467.493,2.608,6,0.387,0.83,1.0,0.15617503940785415,0.06627373038174217,0.04897710917688986,0.05553080666164074,0.08173917140703173
EOS-3-06925,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnnn4-c4ccc(F)cc4)n23)cc1,XQFQMSKYIGYDJI-UHFFFAOYSA-N,3,1,0.375,67,973,439.418,2.369,6,0.411,0.7,1.0,0.04745219655952299,0.20181104790624357,0.1617521074635049,0.262739017202385,0.16843859228291413
EOS-3-06926,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)no1,WOWQKZAOSFYFLI-UHFFFAOYSA-N,3,1,0.605,89,731,428.412,2.223,5,0.43,0.74,1.0,0.46879069289287917,0.15526694537728736,0.1281097937084504,0.06290692892879172,0.20376859022685218
EOS-3-06927,CCn1cc(NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(F)nc5)n34)s2)cn1,HSAHCTXCZHDTHI-UHFFFAOYSA-N,3,1,0.35,50,974,434.46,3.523,5,0.425,0.78,0.998,0.02595778219450346,0.10300870399561374,0.17467103008703996,0.12662771571516687,0.107566307998081
EOS-3-06928,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ncc(F)cn6)cnn5)n34)cc2)n1,OFSGWXKFVGSZDI-UHFFFAOYSA-N,3,1,0.301,98,63,452.417,2.035,6,0.39,0.73,1.0,0.1696508121444726,0.19695360153519292,0.10854293742718114,0.13504043588513467,0.15254694674799535
EOS-3-06929,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4cccc(Cl)c4)n23)cc1F,RTCPJYMGJXBGMO-UHFFFAOYSA-N,3,1,0.366,61,648,461.888,4.011,5,0.436,0.77,1.0,0.25004283462408333,0.3185011308340758,0.6659499006236721,0.6829980810088411,0.47937298677266804
EOS-3-06930,COc1cc(-c2ncnn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,HYHSISVQHGRQAD-UHFFFAOYSA-N,3,1,0.326,52,336,467.493,2.55,6,0.404,0.8,0.957,0.20594030566787747,0.09022685216914536,0.05098176958399013,0.04611575628812282,0.09831617092728395
EOS-3-06931,Cc1cc(-c2nnc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)s2)ncn1,GCBDFPVJFAFVEC-UHFFFAOYSA-N,3,1,0.374,85,740,429.469,2.098,5,0.448,0.69,1.0,0.08057192790076075,0.043271537248989106,0.029298882873003907,0.01790487286683572,0.04276180522239737
EOS-3-06932,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)nc1,VVYILGLINHZQBX-UHFFFAOYSA-N,3,1,0.267,25,866,435.455,2.444,6,0.414,0.72,1.0,0.02279658693715304,0.02310499623055308,0.11387156466314852,0.12663628263998356,0.07160235761770956
EOS-3-06933,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4F)n23)cc1,HGKLNGPIPYBSMR-UHFFFAOYSA-N,3,1,0.529,89,258,459.445,2.06,5,0.409,0.77,1.0,0.6199369474333494,0.4231889520937564,0.28013844150503736,0.18691316565005825,0.37754437667055035
EOS-3-06934,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5csnn5)c(F)c4)n23)cc1,IBBZMLLADYJIJU-UHFFFAOYSA-N,3,1,0.42,62,916,471.521,3.932,6,0.403,0.85,1.0,0.147642382290453,0.24686450551709957,0.327599204989377,0.4096018093345213,0.2829269755328627
EOS-3-06935,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5)cn4)n23)nc1,ZTIYEAHZAMFASZ-UHFFFAOYSA-N,3,1,0.402,33,943,453.466,2.367,5,0.394,0.72,1.0,0.3237440888218765,0.1187461448838325,0.09558118017956274,0.04884003837982318,0.14672786306627375
EOS-3-06936,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cccnn5)c4)n23)c1,SHLSRHOYAYJHJN-UHFFFAOYSA-N,3,1,0.3,39,972,436.414,3.03,6,0.414,0.73,0.889,0.004471934754300596,0.08397299705297787,0.272411075320403,0.3717531354944829,0.1831522856555411
EOS-3-06937,Fc1cncc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)n2)c1,NZOJYWKPNFXZTP-UHFFFAOYSA-N,3,1,0.276,10,871,436.414,3.03,6,0.414,0.73,0.379,0.030703858542937428,0.1030172709204304,0.22558426427249675,0.329792337742444,0.17227443286957714
EOS-3-06938,FC(F)Oc1ccc(-c2nnc3cncc(Cc4ccc(-c5nccnn5)cn4)n23)cc1,MAINAKJUTMNYON-UHFFFAOYSA-N,3,1,0.558,85,81,432.394,3.231,5,0.403,0.78,1.0,0.5716451922417929,0.5676787060516757,0.6771126036597903,0.6451665410184361,0.6154007607429237
EOS-3-06939,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1F,GZYAHSPCJUNRLS-UHFFFAOYSA-N,3,1,0.63,11,159,430.418,4.148,5,0.403,0.85,1.0,0.9002724282091701,0.8547477897333973,0.8171047220889589,0.8032177369611404,0.8438356692481666
EOS-3-06940,COc1ccc(-c2ncc(C)nn2)cc1-c1cncc2nnc(-c3ccc(C#N)cc3F)n12,SPMLGMDXGVBCLB-UHFFFAOYSA-N,3,1,0.386,61,697,438.426,3.638,5,0.418,0.77,1.0,0.5013107394969502,0.5879223493934618,0.6850455760400247,0.6218045370433829,0.599020800493455
EOS-3-06941,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(-c5ccccn5)n4)n23)cn1,IIVCCZNHCGNADV-UHFFFAOYSA-N,3,1,0.533,24,786,472.896,3.235,5,0.4,0.83,1.0,0.5243643341786033,0.4716863134809129,0.2544633678294839,0.21583510383112878,0.3665872798300322
EOS-3-06942,O=C(c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)c(F)c1)N1CCCC1,KUBTWCXGBJYRBA-UHFFFAOYSA-N,3,1,0.33,52,376,465.492,4.29,6,0.393,0.89,0.978,0.08058049482557741,0.08398156397779453,0.017467959701185663,0.1266448495648002,0.07716871701733946
EOS-3-06943,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccn1,RFUCSXPGENIGPM-UHFFFAOYSA-N,3,1,0.468,89,512,468.481,1.848,6,0.379,0.83,1.0,0.3187752724282092,0.08049482557741074,0.027062915495853608,0.03093516551298746,0.11431704475361525
EOS-3-06944,c1cncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)c1,HNJJZSLRBAIZLW-UHFFFAOYSA-N,3,1,0.287,42,106,429.447,3.767,6,0.417,0.8,1.0,0.1368394900966349,0.11875471180864916,0.46716297717771227,0.48170104859159757,0.30111455691864847
EOS-3-06945,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)c1,RXUOOXAWONVNNL-UHFFFAOYSA-N,3,1,0.284,39,495,433.439,2.501,6,0.412,0.74,1.0,0.06440614077170859,0.02088616270303612,0.05827222260297444,0.10601569460626413,0.06239505517099582
EOS-3-06946,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,PSPKPLZMCVBEQU-UHFFFAOYSA-N,3,1,0.313,25,945,432.451,3.106,6,0.418,0.76,1.0,0.09943629634706326,0.05850352957302447,0.19076828181755878,0.26274758412720167,0.15286392296621204
EOS-3-06947,NC(=O)c1ccc(-c2nnc3cncc(-c4nsnc4-c4ccc(F)c(F)c4)n23)nc1,PSWULTPDYDYLMH-UHFFFAOYSA-N,3,1,0.337,44,155,436.407,2.749,5,0.459,0.69,0.992,0.18091631827839078,0.24687307244191625,0.335103831128778,0.4030309780001371,0.2914810499623055
EOS-3-06948,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(OCC(F)F)nc4)n23)cc1,VTTZTVWAOSQSAO-UHFFFAOYSA-N,3,1,0.36,61,917,435.398,2.688,5,0.401,0.81,1.0,0.34325954355424576,0.40934480159002123,0.45998389418134467,0.40961037625933794,0.40554965389623737
EOS-3-06949,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc5c(F)c(F)ccc5c4)n23)s1,XATGDMDTJJBCIF-UHFFFAOYSA-N,3,1,0.279,82,523,448.458,4.238,6,0.445,0.77,0.863,0.21978445617161263,0.29818038516893974,0.3538910972517305,0.5268144746761703,0.34966760331711333
EOS-3-06950,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncccn5)ncn4)n23)nc1,AJUZBWWMZOSTOF-UHFFFAOYSA-N,3,1,0.402,33,53,440.427,1.372,5,0.411,0.7,0.991,0.3779298882873004,0.11262936056473169,0.0527465560962237,0.01962682475498595,0.14073315742581044
EOS-3-06951,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)n2)n1C,YVEKNSVPSWSQOO-UHFFFAOYSA-N,3,1,0.535,36,391,450.865,3.662,5,0.403,0.79,1.0,0.5550167911726407,0.7129394832430951,0.3239925296415599,0.3968799259817696,0.49720718250976637
EOS-3-06952,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4cccc(F)c4)n23)nc1,NWANCWQEKYDLLW-UHFFFAOYSA-N,3,1,0.3,94,219,451.429,2.64,6,0.398,0.74,0.951,0.1948804057295593,0.25185045576040027,0.17467959701185662,0.27452710575011996,0.22398439106298404
EOS-3-06953,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)c(F)c1,OAQNBPZRFQLFEP-UHFFFAOYSA-N,3,1,0.3,94,219,451.429,2.64,6,0.398,0.74,0.986,0.23905147008429853,0.30311493386334043,0.1778322253443904,0.2506082516619834,0.24265172023850318
EOS-3-06954,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)ncn4)n23)c(Cl)c1,XKYODSGANQJGSL-UHFFFAOYSA-N,3,1,0.378,50,155,447.821,2.597,5,0.443,0.67,0.999,0.20884449318072784,0.2825800150777877,0.434985607566308,0.447724624768693,0.3435336851483791
EOS-3-06955,Cn1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)n1,XBHFJAZWLQHUAU-UHFFFAOYSA-N,3,1,0.512,89,637,466.505,3.058,6,0.392,0.82,1.0,0.4384466451922418,0.1257967240079501,0.18742718113905832,0.1677917894592557,0.2298655849496265
EOS-3-06956,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,OQOLYFPVZCBDRA-UHFFFAOYSA-N,3,1,0.464,89,398,466.505,3.058,6,0.392,0.82,1.0,0.26847885682955247,0.10625556850113084,0.14937290110341991,0.12869234459598383,0.16319991775752174
EOS-3-06957,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccccc4OCCCC(F)F)n23)cc1,WJEWBLVWWSLNBS-UHFFFAOYSA-N,3,1,0.363,0,999,437.45,4.242,4,0.417,0.85,1.0,0.4336234665204578,0.29319443492563907,0.6633712562538551,0.5535090124049071,0.4859245425262148
EOS-3-06958,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4noc(-c5ccc(Cl)nc5)n4)n23)cc1,OHLGYTUNQWFYKR-UHFFFAOYSA-N,3,1,0.341,74,582,458.869,3.449,6,0.397,0.81,1.0,0.21700877253101228,0.2266122952504969,0.10855150435199781,0.2039356452607772,0.18902705434857106
EOS-3-06959,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c1,KHAOZRZEBCUROF-UHFFFAOYSA-N,3,1,0.345,64,27,450.441,3.245,6,0.402,0.76,1.0,0.12293537111918305,0.20181961483106023,0.21853368514837915,0.33937872661229523,0.2206668494277294
EOS-3-06960,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccn5C)nn4)n23)cc1,OKLKPLFUVBHNCW-UHFFFAOYSA-N,3,1,0.462,89,926,441.455,1.92,5,0.424,0.72,1.0,0.38477486121581794,0.16684942772942224,0.09558974710437941,0.0397590980741553,0.17174328353094373
EOS-3-06961,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)nc1,HPZGNNZRBKARGB-UHFFFAOYSA-N,3,1,0.302,10,37,439.418,2.369,6,0.411,0.71,0.97,0.007256185319717634,0.12580529093276677,0.1746881639366733,0.24476560893701596,0.13812881228154342
EOS-3-06962,Cn1cc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cn6)nc5)n34)cn2)cn1,ARHOVJNJVBOYPG-UHFFFAOYSA-N,3,1,0.27,86,780,439.418,2.369,6,0.411,0.71,1.0,0.01963539167980262,0.0839901309026112,0.2402080049345487,0.24477417586183264,0.14715192584469877
EOS-3-06963,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5OC)nc4)n23)cc1F,XOVDSQSWLHPCJC-UHFFFAOYSA-N,3,1,0.364,96,648,472.455,4.167,5,0.413,0.86,1.0,0.6116527311356316,0.5828935645260778,0.822570420121993,0.7216263450071962,0.6846857651977246
EOS-3-06964,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(F)nc5)n4)n23)cc1,YRWGUMRJDRQCIB-UHFFFAOYSA-N,3,1,0.369,74,333,427.403,2.204,5,0.433,0.72,1.0,0.20319888972654376,0.17081591391953943,0.2650949215269687,0.22410218627921322,0.21580297786306626
EOS-3-06965,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cn4)n23)cn1,RUVKWYPYYOOAHN-UHFFFAOYSA-N,3,1,0.303,70,687,437.492,3.772,6,0.414,0.79,1.0,0.06282125968062505,0.07696525255294359,0.17469673086148996,0.17049037077650606,0.12124340346789117
EOS-3-06966,Fc1cc(-c2nnc3cncc(OCc4nnc(-c5cccnn5)o4)n23)ccc1Cl,BVRVZCHPQLVZIY-UHFFFAOYSA-N,3,1,0.548,72,391,424.783,3.003,5,0.419,0.79,1.0,0.8061219244739908,0.8963830443424029,0.3313857857583442,0.4444606264135426,0.6195878452470701
EOS-3-06967,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(Cl)c(F)c5)ncn4)n23)cn1,CDJPZKGDUCWUEH-UHFFFAOYSA-N,3,1,0.341,82,155,461.848,2.857,5,0.405,0.77,0.39,0.2500514015489,0.3232557741073264,0.3912171886779522,0.37176170241929957,0.33407151668836954
EOS-3-06968,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cc1,JTRSLFFGYACEKM-UHFFFAOYSA-N,3,1,0.314,10,507,437.402,2.425,6,0.409,0.73,0.929,0.029504489068603933,0.16291720923857173,0.14316188061133575,0.24770406414913304,0.14582191076691112
EOS-3-06969,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1F,XZMUICYHWZLQNR-UHFFFAOYSA-N,3,1,0.329,3,668,437.442,3.579,6,0.419,0.74,1.0,0.019643958604619285,0.1969621684600096,0.467171544102529,0.49693304091563295,0.2951776780206977
EOS-3-06970,Cc1cncc(-c2cc(-c3nnc4cncc(CNC(=O)c5ccc(F)c(F)c5)n34)ccn2)n1,GXIZUSVQJMZWMS-UHFFFAOYSA-N,3,1,0.552,85,81,458.432,3.16,5,0.431,0.71,1.0,0.26592591323418546,0.23153827702008087,0.5123192378863684,0.4507144815297101,0.3651244774175862
EOS-3-06971,Cc1ncncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cn1,RITAXTNDINTWCN-UHFFFAOYSA-N,3,1,0.311,42,762,433.435,3.669,6,0.41,0.78,1.0,0.1779093276677404,0.11263792748954835,0.35389966417654717,0.3080923171818244,0.23813480912891508
EOS-3-06972,CCn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)ccn1,GCEIFCBDYFBTHS-UHFFFAOYSA-N,3,1,0.42,92,986,456.47,1.798,5,0.388,0.8,1.0,0.25259577821945034,0.12919779316016722,0.025983482968953465,0.009406483448701253,0.10429588444931807
EOS-3-06973,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccnc5F)n4)n23)cc1,JMMXZSNBFGUTKE-UHFFFAOYSA-N,3,1,0.337,62,423,451.465,3.947,6,0.407,0.79,1.0,0.17791789459255705,0.2018281817558769,0.34216297717771227,0.4096189431841546,0.28288199917757517
EOS-3-06974,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)n1,JGOQRKLVIMAIGJ-UHFFFAOYSA-N,3,1,0.29,70,957,433.439,2.501,6,0.412,0.76,1.0,0.04176375848125557,0.025358097457336713,0.11711842916866562,0.13978651223356864,0.08100669933520663
EOS-3-06975,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cnn(C)c5)nn4)n23)c1,GXZXCOBRNARFNO-UHFFFAOYSA-N,3,1,0.261,39,312,435.455,2.538,6,0.415,0.73,1.0,0.0048231786717839766,0.001704818038516894,0.09320814200534576,0.1060242615310808,0.05144010006168186
EOS-3-06976,COc1cc(-c2cnn(C)c2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,DMHDKXLCNMRWFT-UHFFFAOYSA-N,3,1,0.33,52,341,465.517,3.76,6,0.41,0.82,1.0,0.15618360633267084,0.08399869782742787,0.3460266602700295,0.28349667603317114,0.21742641011582486
EOS-3-06977,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cnc(C(F)F)nc5)no4)n23)cn1,DONVOVIUBAGUMI-UHFFFAOYSA-N,3,1,0.373,50,489,436.342,1.73,5,0.429,0.7,1.0,0.2500599684737167,0.20183674868069357,0.07494345829620999,0.05144438352409019,0.1445711397436776
EOS-3-06978,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(Cc5ccccc5Cl)n(C)n4)n23)cc1,RLNPLRZAPXZRKY-UHFFFAOYSA-N,3,1,0.385,62,124,458.913,3.191,5,0.434,0.75,1.0,0.16430505105887191,0.2723254060722363,0.16485333424713866,0.2007658830786101,0.20056241861421426
EOS-3-06979,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c(F)c2)c(F)n1,HWARUBSKWCZXJM-UHFFFAOYSA-N,3,1,0.372,82,204,444.405,2.996,5,0.452,0.65,1.0,0.25006853539853335,0.2518590226852169,0.4388664245082585,0.40615790555822084,0.3367379720375574
EOS-3-06981,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,YDONVBIENAQBIK-UHFFFAOYSA-N,3,1,0.352,25,791,431.463,3.711,6,0.419,0.8,1.0,0.10942533068329792,0.09337948050167912,0.3386505380028785,0.4378897950791584,0.24483628606675348
EOS-3-06982,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)o4)n23)cc1,SQFKQBNMWCOWHF-UHFFFAOYSA-N,3,1,0.392,62,574,415.388,3.007,5,0.48,0.85,1.0,0.2197930230964293,0.2932030018504558,0.35003598108423,0.31731032828455896,0.29508558357891856
EOS-3-06983,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(OC(F)(F)F)c4)n23)cc1,LOWBVFZFYVOHPD-UHFFFAOYSA-N,3,1,0.388,0,999,461.831,4.76,4,0.463,0.84,1.0,0.7837451168528545,0.9268727297649236,0.9738109108354465,0.9376327873346584,0.9055153861969707
EOS-3-06984,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)nn4)n23)cc1,JMUSSFWRSZUQQS-UHFFFAOYSA-N,3,1,0.461,89,408,440.427,1.372,5,0.411,0.73,1.0,0.42474813241038994,0.20625728188609416,0.0582807895277911,0.027277088616270304,0.17914082311013638
EOS-3-06985,NC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)nc5)n4)n23)cc1,FDZXSDDYEMQGHT-UHFFFAOYSA-N,3,1,0.385,74,333,429.831,2.458,5,0.43,0.72,0.999,0.16153793434308822,0.17964841340552395,0.26161675005140156,0.2894421218559386,0.22306130491398807
EOS-3-06986,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccnc(Cl)c5)s4)n23)cc1,ZUTDMFSKLPWZSX-UHFFFAOYSA-N,3,1,0.369,74,139,448.899,3.385,5,0.419,0.78,1.0,0.09457028305119594,0.16685799465423892,0.1977588924679597,0.20978685491056132,0.16724350627098897
EOS-3-06987,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cc(-c4ccnc(F)c4)ncn3)n12,FSKFHDQFBLLBQM-UHFFFAOYSA-N,3,1,0.333,74,139,426.415,2.857,5,0.438,0.76,0.973,0.13152799671030088,0.18805256665067507,0.4739137139332465,0.3876790487286684,0.2952933315057227
EOS-3-06988,Cc1nc(-c2cncnc2)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)n1C,MRVXNMZETXZVOV-UHFFFAOYSA-N,3,1,0.298,82,974,452.482,2.244,6,0.43,0.76,0.999,0.08980707285312864,0.08725412925776163,0.012319237886368309,0.013827016654101843,0.050801864162840105
EOS-3-06989,Cc1cnc(-c2ccc(-c3nnc4cncc(COc5ccncc5Cl)n34)cn2)cn1,UYFLQEBTMWYDDS-UHFFFAOYSA-N,3,1,0.387,85,767,430.859,3.579,5,0.416,0.78,1.0,0.5395020903296552,0.4807244191624974,0.43499417449112465,0.4096275101089713,0.46621204852306214
EOS-3-06990,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5ncccn5)n4)n23)c(F)c1,AEYUJFYFKYJIBU-UHFFFAOYSA-N,3,1,0.427,73,770,457.429,2.116,5,0.407,0.74,1.0,0.5916489616887122,0.4543211568775272,0.15851380988280447,0.10177506682201357,0.32656474881776437
EOS-3-06991,CCn1nc(C)nc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)c1,VEVNESULMIISAT-UHFFFAOYSA-N,3,1,0.319,82,336,457.473,2.939,5,0.431,0.74,1.0,0.24431156192173256,0.2877972722911384,0.08141148653279419,0.06460318004249195,0.16953087519703927
EOS-3-06992,CC(F)(F)c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(F)cn1,XWXQGVAWBICDCT-UHFFFAOYSA-N,3,1,0.404,63,108,469.427,3.303,5,0.443,0.73,1.0,0.454920841614694,0.38096257967240077,0.6135631553697485,0.4937632787334658,0.48580246384757725
EOS-3-06993,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cccc(C#N)c1,DPXHYZSTKUTYSL-UHFFFAOYSA-N,3,1,0.523,95,493,422.452,3.08,5,0.414,0.85,1.0,0.44771605784387636,0.21604927695154547,0.46718011102734563,0.4477331916935097,0.3946696593790693
EOS-3-06994,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccccc4)n23)cc1,PKXFUXRIZCFZGP-UHFFFAOYSA-N,3,1,0.388,9,625,433.479,3.654,6,0.421,0.78,1.0,0.05744123089575766,0.036563635117538205,0.27241964224521964,0.29232917551915566,0.16468842094441777
EOS-3-06995,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cc2)n1,CYXRTCYRARJTQG-UHFFFAOYSA-N,3,1,0.338,25,508,435.455,2.444,6,0.414,0.73,1.0,0.11502809951339867,0.04706668494277294,0.11110444794736482,0.11296347063258173,0.09654067575902953
EOS-3-06996,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)c1,NXNVGGMXJCZOON-UHFFFAOYSA-N,3,1,0.378,25,791,449.453,3.85,6,0.403,0.79,1.0,0.13684805702145159,0.29321156877527244,0.4599924611061613,0.5570557192790077,0.3617769515454733
EOS-3-06997,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)cn2)cn1,UPFQORDCSYDOHH-UHFFFAOYSA-N,3,1,0.321,64,449,449.453,3.85,6,0.403,0.79,1.0,0.12859810842300048,0.21126036597902817,0.460001028030978,0.5000942361729833,0.3249884346514975
EOS-3-06998,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,QIWUOWAGXVIUHR-UHFFFAOYSA-N,3,1,0.548,44,531,427.443,3.712,5,0.408,0.81,1.0,0.7607429237201014,0.6788002878486739,0.48103282845589745,0.47566993352066345,0.5990614933863341
EOS-3-06999,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(F)nc5)ccc4F)n23)cc1,ROLSQNBBCUVPLW-UHFFFAOYSA-N,3,1,0.381,62,3,442.429,4.158,5,0.423,0.8,1.0,0.2956445754232061,0.3185096977588925,0.8704166952230827,0.8240867658145432,0.5771644335549311
EOS-3-07000,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)nc1,AGMFXTWMTQXIGP-UHFFFAOYSA-N,3,1,0.289,70,301,446.478,3.414,6,0.405,0.78,1.0,0.08708279076142827,0.07358988417517648,0.187435748063875,0.22730621616064697,0.14385365979028167
EOS-3-07001,NC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5cnc(F)c(F)c5)n4)n23)cc1,QYXVMCGGZQDHPZ-UHFFFAOYSA-N,3,1,0.388,74,333,431.366,2.082,5,0.427,0.7,0.739,0.194888972654376,0.1796569803303406,0.40912206154478786,0.3910715509560688,0.2936848913713933
EOS-3-07002,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5nnnn5C)c4)n23)cc1,ZTDQEIFHOJZEAF-UHFFFAOYSA-N,3,1,0.333,25,508,453.445,2.583,6,0.4,0.72,1.0,0.1696593790692893,0.2468816393667329,0.20118566239462682,0.25061681858680007,0.21708587485436226
EOS-3-07003,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccc(F)c5F)cn4)n23)cc1,AGHZYKCZLKGZGU-UHFFFAOYSA-N,3,1,0.457,57,417,458.428,4.283,5,0.422,0.82,1.0,0.8770217942567337,0.4942001918991159,0.8446645192241793,0.7532639983551505,0.7422876259337948
EOS-3-07004,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)n2)c1,VBOHLYAMJAIXQB-UHFFFAOYSA-N,3,1,0.317,10,871,435.426,3.635,6,0.417,0.76,0.275,0.01685114111438558,0.12219004866013296,0.4310533890754575,0.5203807141388527,0.2726188232472072
EOS-3-07005,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)n2)cc1,IZYOIEHLRGHLOR-UHFFFAOYSA-N,3,1,0.342,10,118,435.426,3.635,6,0.417,0.76,1.0,0.03195462956617093,0.14723116989925297,0.35004454800904666,0.4477417586183264,0.24424302652319924
EOS-3-07006,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)nc2)nc1,ZIDGTTWOGRUHCI-UHFFFAOYSA-N,3,1,0.314,70,664,435.426,3.635,6,0.417,0.76,1.0,0.012790418751285039,0.11876327873346583,0.4671886779521623,0.4937718456582825,0.2731285552737989
EOS-3-07007,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cc1,HGEMHJLLOYJLJK-UHFFFAOYSA-N,3,1,0.333,25,508,434.467,3.049,6,0.42,0.72,1.0,0.14212528270851896,0.06226440956754164,0.2011942293194435,0.21584367075594543,0.15535689808786238
EOS-3-07008,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)cn1,ARVXREQYFAKIDL-UHFFFAOYSA-N,3,1,0.304,98,642,434.467,3.049,6,0.42,0.72,1.0,0.04471934754300596,0.04707525186758961,0.2911126721951888,0.2536837776711672,0.15914776231923788
EOS-3-07009,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)c(F)c1,GWQWYAXMDFKLQF-UHFFFAOYSA-N,3,1,0.309,61,336,470.472,2.558,6,0.401,0.81,0.994,0.17792646151737374,0.272333972997053,0.025992049893770134,0.0629154958536084,0.1347919950654513
EOS-3-07010,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c1,KXHADGLFYFZGGT-UHFFFAOYSA-N,3,1,0.313,25,373,438.48,3.167,6,0.412,0.74,1.0,0.07621136316907683,0.09960763484339662,0.12281543417174971,0.15734870810773766,0.1139957850729902
EOS-3-07011,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C)cc(-c5cnccn5)n4)n23)cc1,ROIFJCCAPJGLRZ-UHFFFAOYSA-N,3,1,0.457,89,731,452.478,2.89,5,0.418,0.74,1.0,0.45492940853951064,0.19236172983345898,0.2616253169762182,0.13296724007950106,0.2604709238571722
EOS-3-07012,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5Cl)nc(C)c4C)n23)cc1,BKCCITKJSPCXBZ-UHFFFAOYSA-N,3,1,0.38,62,124,469.936,4.545,5,0.415,0.9,1.0,0.25007710232335,0.3031235007881571,0.3167449112466589,0.2984802275375231,0.2921064354739223
EOS-3-07013,CCn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)cn1,AHJIBHRJSXAZGV-UHFFFAOYSA-N,3,1,0.511,89,943,441.455,2.143,5,0.405,0.73,1.0,0.3211740113768762,0.15128332533753683,0.13102254814611747,0.055539373586457406,0.16475481461174699
EOS-3-07014,OCc1cncc(-c2cncc(-c3cncc4nnc(-c5cc(F)ccc5Cl)n34)c2)n1,XAFDQZXQGVMZKZ-UHFFFAOYSA-N,3,1,0.313,82,859,433.834,3.595,5,0.462,0.72,0.999,0.32630559934206016,0.47630388595709683,0.777491261736687,0.8261856623946269,0.6015716023576178
EOS-3-07015,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nnoc5C)c4)n23)cc1,WQQFCPSADQKTEI-UHFFFAOYSA-N,3,1,0.489,89,707,442.439,2.483,5,0.421,0.76,1.0,0.4271383044342403,0.2518675896100336,0.1461003358234528,0.06967479953395929,0.22369525735042148
EOS-3-07016,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)n2)cc1,CRRYVFVVEWFQLZ-UHFFFAOYSA-N,3,1,0.303,10,827,455.392,2.564,6,0.394,0.75,0.981,0.011094167637584813,0.15909636077033787,0.18422315125762456,0.3717702693441162,0.18154598725241589
EOS-3-07017,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccc(-c5ccncc5)n4)n23)cn1,XPOSXASBOBPGGV-UHFFFAOYSA-N,3,1,0.292,70,957,432.451,3.106,6,0.418,0.75,0.998,0.055616475909807415,0.017288054280035638,0.1712014255362895,0.18692173257487493,0.10775692207525187
EOS-3-07018,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,ZCTVYYFXHUQIAY-UHFFFAOYSA-N,3,1,0.303,30,945,432.451,3.106,6,0.418,0.75,1.0,0.07229627852785964,0.07697381947776026,0.10581865533548078,0.17049893770132274,0.10639692276060586
EOS-3-07019,Cn1nnnc1-c1ccnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1,ARFNJHJHUSRYCC-UHFFFAOYSA-N,3,1,0.292,30,301,432.451,3.106,6,0.418,0.75,1.0,0.07030875197039271,0.04708381879240628,0.15852237680762113,0.23027037214721405,0.12654632992940854
EOS-3-07020,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,UIKZWPQNGXOZMK-UHFFFAOYSA-N,3,1,0.333,38,170,432.451,3.106,6,0.418,0.75,1.0,0.06623946268247549,0.04709238571722295,0.3128555273798917,0.2984887944623398,0.1811690425604825
EOS-3-07021,Cn1ncnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c1,QUKWDLSMVFYWGE-UHFFFAOYSA-N,3,1,0.326,70,392,432.451,3.106,6,0.418,0.75,0.999,0.04746076348433966,0.017296621204852307,0.20830477691727778,0.22137790418751285,0.12361001644849565
EOS-3-07022,O=C(c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cnccn5)c4)n23)cc1)N1CCOCC1,DUGXLEWQFARUFH-UHFFFAOYSA-N,3,1,0.453,52,229,478.516,2.706,6,0.379,0.89,1.0,0.016859708039202247,0.0008309917072167774,0.014606606812418614,0.03730039065177164,0.01739942430265232
EOS-3-07023,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncco5)nc4)n23)c(F)c1,GQXJSEQBNUXBIY-UHFFFAOYSA-N,3,1,0.484,89,805,471.452,3.452,6,0.383,0.87,1.0,0.47904530189843053,0.277388458638887,0.26510348845178533,0.2687101637996025,0.32256185319717634
EOS-3-07024,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4Cl)n23)cn1,FUMPYUVMVIAUKZ-UHFFFAOYSA-N,3,1,0.314,52,204,468.908,3.856,6,0.417,0.81,0.998,0.24432012884654924,0.2567079021314509,0.24021657185936537,0.38134809128915087,0.28064817353162913
EOS-3-07025,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)cc1Cl,UWYKYOAWCGGRQO-UHFFFAOYSA-N,3,1,0.37,0,901,482.878,3.562,5,0.48,0.86,1.0,0.3731838119388664,0.4368788979507916,0.4739222808580632,0.5470752518675897,0.4577650606538277
EOS-3-07026,N#Cc1ccc(-c2nnc3cncc(Oc4nncc(-c5ccc(F)cc5)n4)n23)c(F)c1,ATLBLOMBNTZZMK-UHFFFAOYSA-N,3,1,0.424,34,374,428.362,3.585,5,0.427,0.79,1.0,0.8368343499417449,0.8452813378109794,0.8171132890137757,0.8321311082173943,0.8328400212459734
EOS-3-07027,CCOc1cc(C(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC)c(C)c3)n12,STJGFXNIMQXPRW-UHFFFAOYSA-N,3,1,0.348,0,999,437.45,4.463,4,0.482,0.8,0.978,0.5013193064217668,0.3571465286820643,0.8543365773421973,0.6738057706805565,0.5966520457816462
EOS-3-07028,Cc1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ncc1-c1cnccn1,FPJKQDKOCIMOJO-UHFFFAOYSA-N,3,1,0.511,89,731,438.451,2.63,5,0.428,0.69,1.0,0.42238366116098963,0.15527551230210404,0.3091888835583579,0.17890309094647386,0.2664377869919814
EOS-3-07029,Fc1ccccc1-c1ccnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nn4)n23)n1,KSQGXHBKRKTMQN-UHFFFAOYSA-N,3,1,0.333,10,541,447.437,3.906,6,0.4,0.78,0.999,0.20320745665136042,0.31851826468370914,0.4091306284696046,0.4969416078404496,0.3569494894112809
EOS-3-07030,CCOc1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)cn1,NWAKRWIXZUIOCE-UHFFFAOYSA-N,3,1,0.33,50,845,431.847,3.152,5,0.413,0.76,0.678,0.4863357549174148,0.5829021314508944,0.21510691522171202,0.2213864711123295,0.37643281817558766
EOS-3-07031,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnnc5)c4)n23)nc1,JTWZBSSXLODFQX-UHFFFAOYSA-N,3,1,0.271,33,450,440.471,2.357,5,0.451,0.68,1.0,0.008361318621067782,0.007179082996367624,0.1585309437324378,0.047477897333973,0.05538731067096156
EOS-3-07032,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)c1,IHFPNBXINOMEBA-UHFFFAOYSA-N,3,1,0.31,25,581,451.429,2.64,6,0.398,0.75,1.0,0.09211157562881228,0.20626584881091084,0.15246556096223698,0.2745356726749366,0.18134466451922418
EOS-3-07033,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cncc(F)c5)n4)n23)cc1,QKLIPOKWJFSXOA-UHFFFAOYSA-N,3,1,0.352,52,582,469.455,4.086,6,0.417,0.86,1.0,0.2443286957713659,0.24175861832636555,0.4880748406551984,0.5825423206085943,0.38917611884038106
EOS-3-07034,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ncccn4)n23)cc1,PUGKSKYSNBPPMF-UHFFFAOYSA-N,3,1,0.268,39,495,434.427,1.896,6,0.404,0.75,1.0,0.04918271537248989,0.03977623192378864,0.02178568980878624,0.033145432115687753,0.035972517305188134
EOS-3-07035,Cc1nccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)nc2)n1,PETSPDZHHQAVIV-UHFFFAOYSA-N,3,1,0.366,56,622,449.438,2.924,6,0.417,0.74,1.0,0.49878349667603317,0.40011822356247,0.21511548214652867,0.15448735521897058,0.3171261394010006
EOS-3-07036,COc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(C)nc5)nc(C)n4)n23)cn1,PKMOLNKKVRAQEX-UHFFFAOYSA-N,3,1,0.34,44,500,426.44,3.456,5,0.417,0.82,1.0,0.4042217805496539,0.12219861558494963,0.23308032348708108,0.1129720375573984,0.21811818929477075
EOS-3-07037,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccncn4)n23)cc1,GZWBQCXAQDAHKN-UHFFFAOYSA-N,3,1,0.295,98,213,434.427,1.896,6,0.404,0.73,1.0,0.1119868412034816,0.0805033925022274,0.06832122541292578,0.08971283668014529,0.08763107394969502
EOS-3-07038,OCc1cc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cc4F)n23)ccc1F,RTPPMJLVNQMRQB-UHFFFAOYSA-N,3,1,0.537,90,255,437.328,3.555,4,0.481,0.71,1.0,0.9505688438078267,0.9405284079226921,0.9944486327187992,0.9829603865396477,0.9671265677472415
EOS-3-07039,Cc1nc(-c2cccnc2)cc(-c2cncc3nnc(-c4ccc(C(=O)NCC(F)F)cc4)n23)n1,YLUSEJWCTONUHW-UHFFFAOYSA-N,3,1,0.309,74,139,472.459,3.614,5,0.402,0.86,1.0,0.2334744020286478,0.13611130148721814,0.5428003563840724,0.4190939620313892,0.3328700054828319
EOS-3-07040,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)c(F)c1,FZRKLUFUEVAAIF-UHFFFAOYSA-N,3,1,0.317,64,27,450.441,3.245,6,0.402,0.75,1.0,0.1779350284421904,0.2468902062915496,0.20474950311836063,0.3173188952093756,0.23672340826536906
EOS-3-07041,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)nc1,XYCBDZSVJBEPRQ-UHFFFAOYSA-N,3,1,0.402,33,53,442.443,1.315,5,0.412,0.72,0.984,0.2390600370091152,0.09655780960866288,0.07495202522102666,0.026223356863820164,0.10919830717565623
EOS-3-07042,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)cc1,CDQZJDGGUGWOQH-UHFFFAOYSA-N,3,1,0.299,25,373,421.424,3.304,6,0.426,0.83,1.0,0.1421338496333356,0.08051195942704407,0.21512404907134536,0.25677643752998425,0.1736365739154273
EOS-3-07043,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(C#N)cn5)cc4)n23)cc1,IQGDMQBXKWQBOX-UHFFFAOYSA-N,3,1,0.354,25,508,456.473,3.582,6,0.394,0.79,1.0,0.13685662394626824,0.1512918922623535,0.48447673223219795,0.5171424165581523,0.322441916249743
EOS-3-07044,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c(-c2ccncc2)n1,SDRVIZUUWGLMNY-UHFFFAOYSA-N,3,1,0.295,42,339,444.462,3.471,6,0.402,0.76,1.0,0.14478102940168597,0.06976046878212597,0.2984202590638065,0.30493112192447397,0.20447321979302308
EOS-3-07045,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)nn1,MUKKOWCXVKNNCM-UHFFFAOYSA-N,3,1,0.483,16,256,430.859,3.579,5,0.416,0.74,1.0,0.6547015283393873,0.6209221437872661,0.4532245905009938,0.4665290247412789,0.5488443218422315
EOS-3-07046,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnn5C)c4)n23)nc1,IBXUFWSNAIBMBZ-UHFFFAOYSA-N,3,1,0.384,33,53,455.482,2.31,5,0.396,0.73,1.0,0.2846275101089713,0.08400726475224453,0.11388013158796519,0.044753615242272636,0.13181713042286342
EOS-3-07047,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4C)n23)cc1,BVGMPRSHSHEJPT-UHFFFAOYSA-N,3,1,0.449,89,451,453.506,3.961,5,0.432,0.8,1.0,0.4813241038996642,0.2062744157357275,0.3611815502707148,0.1705075046261394,0.30482189363306145
EOS-3-07048,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)cc4)n23)cn1,DIFTZOCTYIKUCR-UHFFFAOYSA-N,3,1,0.282,98,727,435.455,2.444,6,0.414,0.71,1.0,0.040341648961688716,0.02311356315536975,0.1253769446919334,0.13504900280995133,0.08097028990473579
EOS-3-07049,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)n1,WHCISCVLEXEFJO-UHFFFAOYSA-N,3,1,0.318,3,158,435.426,3.635,6,0.417,0.74,1.0,0.04919128229730656,0.2620279624426016,0.38013158796518404,0.5139469536015352,0.30132444657665686
EOS-3-07050,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(Cl)c1,JMFMMMGEDXYQDG-UHFFFAOYSA-N,3,1,0.307,61,523,472.9,2.589,6,0.413,0.8,0.999,0.13397813720786786,0.25187615653485024,0.052755123021040365,0.13297580700431774,0.14289630594201905
EOS-3-07051,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5cc(F)ccn5)n4)n23)cc1F,PPIZHECEAAQDOK-UHFFFAOYSA-N,3,1,0.33,74,768,445.393,2.343,5,0.447,0.64,0.998,0.21701733945582893,0.22662086217531355,0.3500531149338633,0.36540504420533204,0.2897740901925845
EOS-3-07052,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)cc1F,CQSFQTXJWPTADA-UHFFFAOYSA-N,3,1,0.356,74,450,415.392,1.933,5,0.477,0.8,1.0,0.018701596874785828,0.10957096840518128,0.3128640943047084,0.2506253855116167,0.17294051127407306
EOS-3-07053,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)n(C)n1,FQWYAMBZQNBCCJ-UHFFFAOYSA-N,3,1,0.347,25,508,449.482,2.753,6,0.403,0.74,1.0,0.12014255362894935,0.05445994105955726,0.06234151189089165,0.06785861147282571,0.076200654513056
EOS-3-07054,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ncc(C)cn5)nc(C)n4C)n23)cc1F,RSVUZXFSSXAFAK-UHFFFAOYSA-N,3,1,0.326,74,413,457.473,2.764,5,0.441,0.71,0.996,0.22827427866493044,0.20184531560551025,0.0839901309026112,0.05840072647522445,0.14312761291206907
EOS-3-07055,N#Cc1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cn1,WBHMDYFOIFNSPJ-UHFFFAOYSA-N,3,1,0.446,46,128,441.842,3.142,5,0.404,0.73,1.0,0.5661623603591255,0.7453224590500994,0.4944657665684326,0.4937804125830992,0.5749327496401893
EOS-3-07056,O=C(NC1CC1)c1ccc(Cc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nc1,VSIAPPOKSJEGHB-UHFFFAOYSA-N,3,1,0.369,52,647,466.48,3.265,6,0.409,0.75,1.0,0.17491947090672333,0.1796655472551573,0.18423171818244122,0.25063395243643344,0.19736267219518883
EOS-3-07057,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cc1,LHBBNEGCNFNSNL-UHFFFAOYSA-N,3,1,0.377,67,642,432.451,3.106,6,0.418,0.73,1.0,0.15883078610102117,0.06628229730655884,0.1371907340141183,0.16262593379480503,0.13123243780412583
EOS-3-07058,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(Cl)c5)cn4)n23)cc1F,SAUKQNWMSYFKCV-UHFFFAOYSA-N,3,1,0.388,62,802,458.884,4.672,5,0.423,0.87,1.0,0.3033890754574738,0.3855887190734014,0.8280361181550271,0.8402868206428621,0.5893251833321911
EOS-3-07059,N#Cc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)n2)c1,PFSITSLHFQHPKV-UHFFFAOYSA-N,3,1,0.266,33,776,459.473,3.074,6,0.424,0.74,0.995,0.07833596052361044,0.0840158316770612,0.19776745939277637,0.2627561510520184,0.1557188506613666
EOS-3-07060,OCc1ccc(-c2nnc3cncc(-c4nncnc4-c4ccc(F)c(F)c4)n23)c(Cl)c1,QPJKZIFOTQKBQN-UHFFFAOYSA-N,3,1,0.34,45,730,451.824,3.734,5,0.444,0.71,0.983,0.39371873072441915,0.5722791446782263,0.8858371598930848,0.9234545267630732,0.6938223905147008
EOS-3-07061,CONC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnc5)nc4)n23)c(C)c1,FGNDJYMPWXINJA-UHFFFAOYSA-N,3,1,0.374,14,357,451.49,3.439,5,0.394,0.78,0.998,0.21980159002124597,0.03978479884860531,0.45323315742581044,0.29533616612980607,0.25203892810636697
EOS-3-07062,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cc4)n23)cc1,IRZTZGYBZSNQBI-UHFFFAOYSA-N,3,1,0.373,62,3,442.429,4.158,5,0.423,0.79,1.0,0.32375265574669315,0.31330100747035844,0.8647967925433486,0.8142348022753753,0.5790213145089439
EOS-3-07063,Cc1ncccc1COc1cncc2nnc(-c3cccc(-c4cc(=O)n(C)cn4)c3)n12,HZMJZJVZLMVCMJ-UHFFFAOYSA-N,3,1,0.478,89,506,425.452,2.834,5,0.427,0.8,1.0,0.3731923788636831,0.17967411417997395,0.3539082311013639,0.25964635734356795,0.29160527037214723
EOS-3-07064,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cncnn5)nn4)n23)cc1,PUSMEFGLRRNSBR-UHFFFAOYSA-N,3,1,0.389,74,740,438.455,1.578,5,0.419,0.69,1.0,0.16154650126790487,0.03979336577342197,0.0547426495785073,0.03522719484613803,0.07282742786649304
EOS-3-07065,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cc4)n23)c(Cl)c1,MJUXYYZCYJYSGX-UHFFFAOYSA-N,3,1,0.494,62,451,459.897,3.997,5,0.426,0.79,1.0,0.6610581865533548,0.5676872729764924,0.5428089233088891,0.44775032554314304,0.5548261770954698
EOS-3-07066,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnn(C)n5)cn4)n23)cc1,UYLKSJNVVDUSFE-UHFFFAOYSA-N,3,1,0.528,89,926,442.443,1.315,5,0.412,0.74,1.0,0.37320094578849977,0.17968268110479063,0.06634226578027551,0.024492838050853265,0.16092968268110477
EOS-3-07067,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)cn3)n12,BVHRMSAULNTIHC-UHFFFAOYSA-N,3,1,0.351,8,934,449.453,3.85,6,0.403,0.81,1.0,0.09702042354876293,0.22662942910013023,0.3055822082105407,0.43789836200397503,0.2667826057158522
EOS-3-07068,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cncnc5)c4)n23)nn1,WXYNYSVGJFENIA-UHFFFAOYSA-N,3,1,0.406,54,817,443.402,1.855,5,0.415,0.71,1.0,0.5063223905147008,0.25671646905626755,0.26163388390103487,0.25369234459598383,0.3195912720169968
EOS-3-07069,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cc2)n(C)n1,LXJRQJQDNKNATG-UHFFFAOYSA-N,3,1,0.362,3,289,452.457,3.282,6,0.404,0.74,1.0,0.0319631964909876,0.17541635254609006,0.1842402851072579,0.22731478308546363,0.15473365430744979
EOS-3-07070,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnco5)n4)n23)cn1,YARLDIULHZQLAY-UHFFFAOYSA-N,3,1,0.406,85,290,446.858,2.84,5,0.437,0.7,1.0,0.2604859159756014,0.2981889520937564,0.16802309642930574,0.1573572750325543,0.22101380988280445
EOS-3-07071,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4)n23)c1-c1ccc(F)cc1,MMXADZRVNJFMBD-UHFFFAOYSA-N,3,1,0.354,9,98,438.43,3.178,6,0.449,0.7,1.0,0.20594887259269412,0.2932201357000891,0.4125316976218217,0.48766362826399834,0.3498410835446508
EOS-3-07072,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ncc(-c5ncccn5)cn4)n23)cc1,KHKAXHXBHINHMV-UHFFFAOYSA-N,3,1,0.311,94,106,430.435,3.162,6,0.415,0.76,1.0,0.13398670413268454,0.07359845109999315,0.1281183606332671,0.17336029059008978,0.12726595161400864
EOS-3-07073,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(F)cc4)n23)cc1F,SKWRMKVPLWZZBM-UHFFFAOYSA-N,3,1,0.324,61,331,470.443,3.481,6,0.419,0.78,1.0,0.24433726269618258,0.2981975190185731,0.3611901171955315,0.5234819409224865,0.3568017099581934
EOS-3-07074,CC1(NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)COC1,XZRBNBIRIRGHRU-UHFFFAOYSA-N,3,1,0.321,0,862,469.505,2.264,6,0.444,0.76,1.0,0.21411315194297856,0.07360701802480982,0.052763689945857034,0.055547940511274076,0.09900795010622987
EOS-3-07075,Cn1nnnc1-c1cccc(OCc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,ZLTLYDVBUVRRIY-UHFFFAOYSA-N,3,1,0.495,61,941,418.848,3.214,5,0.432,0.86,1.0,0.5162942910013022,0.6788088547734905,0.35752347337399765,0.45708827359331095,0.5024287231855253
EOS-3-07076,COCC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)nc1,ZQIRNKHNVAMYPH-UHFFFAOYSA-N,3,1,0.303,63,175,458.482,1.598,5,0.459,0.65,0.966,0.04472791446782263,0.0037608799945171682,0.004591871701733945,0.007033445274484271,0.015028527859639502
EOS-3-07077,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)no1,RTDMCDXUWZVEHH-UHFFFAOYSA-N,3,1,0.557,89,398,468.477,3.016,6,0.382,0.81,1.0,0.32118257830169283,0.09023541909396203,0.06235007881570832,0.0569786169556576,0.1326866732917552
EOS-3-07078,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ncn2)cc1,GBTGUFVQKUTJAL-UHFFFAOYSA-N,3,1,0.466,44,130,430.859,3.313,5,0.404,0.77,0.998,0.619945514358166,0.6836834349941745,0.34603522719484614,0.4254591871701734,0.51878084092934
EOS-3-07079,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)nn4)n23)cc1F,FFTDMWCZTFNJRQ-UHFFFAOYSA-N,3,1,0.315,74,802,470.443,3.481,6,0.392,0.84,1.0,0.1977074909190597,0.2212836680145295,0.40583236241518744,0.5037523130697005,0.3321439586046193
EOS-3-07080,CC1CCCN1C(=O)c1cncc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,FDJKXMRHYDEMJZ-UHFFFAOYSA-N,3,1,0.548,63,536,457.494,2.489,5,0.471,0.67,1.0,0.30071619491467344,0.010066136659584675,0.023833184839969844,0.027285655541086973,0.09047529298882873
EOS-3-07081,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(F)c5)ncn4)n23)c(Cl)c1,QFLBYCYDIIUWME-UHFFFAOYSA-N,3,1,0.366,96,155,446.833,3.202,5,0.449,0.68,0.985,0.2632273319169351,0.30313206771297374,0.6226098279761497,0.6451751079432527,0.4585360838873278
EOS-3-07082,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)nn2)c1,CLQJRTUCVUEFJX-UHFFFAOYSA-N,3,1,0.318,30,158,436.414,3.03,6,0.414,0.75,0.86,0.0057141388527174285,0.1552840792269207,0.17120999246110616,0.3081008841066411,0.16007727366184635
EOS-3-07083,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(Cl)nn5)cn4)n23)cc1,HALYXMRUAPDOAV-UHFFFAOYSA-N,3,1,0.512,72,946,430.859,3.579,5,0.416,0.75,1.0,0.8484768007675965,0.8201631142485094,0.3801401548900007,0.38768761565348503,0.6091169213898979
EOS-3-07084,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)nc1,SXCFKZTZKBLKGU-UHFFFAOYSA-N,3,1,0.588,84,1,431.887,3.862,5,0.406,0.8,1.0,0.6516774038791036,0.5972688643684463,0.5729987663628264,0.5885563018298952,0.6026253341100678
EOS-3-07085,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)c(F)n5)cc4F)n23)cn1,HKMPORYEYJXXKH-UHFFFAOYSA-N,3,1,0.365,96,575,448.368,2.826,5,0.419,0.68,1.0,0.37085360838873277,0.35715509560688097,0.6016208621753135,0.5854807758207115,0.47877758549790966
EOS-3-07087,Fc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nc2)cn1,LYGOXRQFDZMOJW-UHFFFAOYSA-N,3,1,0.388,14,575,433.397,3.846,5,0.419,0.77,1.0,0.5088582002604345,0.7220118566239463,0.792449112466589,0.809651497498458,0.7082426667123569
EOS-3-07088,Cn1cc(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2F)cn1,JLRGVADCWLHBLR-UHFFFAOYSA-N,3,1,0.406,52,916,467.508,3.814,6,0.41,0.77,1.0,0.2253358234528134,0.22129223493934616,0.46719724487697895,0.48767219518881505,0.3503743746144884
EOS-3-07089,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)ccn4)n23)nc1,QUTPBRYAGGALOU-UHFFFAOYSA-N,3,1,0.398,33,53,443.427,1.878,5,0.412,0.72,0.999,0.22235453361661298,0.07698238640257693,0.06029401685970804,0.0190014392433692,0.09465809403056678
EOS-3-07090,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)nn4C)n23)cn1,LLDCDCMTKNBDAT-UHFFFAOYSA-N,3,1,0.329,8,979,435.455,2.444,6,0.414,0.72,1.0,0.06441470769652526,0.0769909533273936,0.027071482420670277,0.03622952504968816,0.051176667123569324
EOS-3-07091,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1,LXLWKNKSOODPSA-UHFFFAOYSA-N,3,1,0.479,89,398,464.489,3.115,6,0.39,0.79,1.0,0.35480775820711397,0.12581385785758345,0.12812692755808375,0.1329843739291344,0.1854332293879789
EOS-3-07092,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc1F,NHZDZBPPXBWAHK-UHFFFAOYSA-N,3,1,0.518,90,555,414.347,2.542,4,0.505,0.83,1.0,0.7638784182030018,0.5305239531217874,0.8071413885271743,0.7051350147351106,0.7016696936467686
EOS-3-07093,CCOC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cn1,YHBWESZSYIWGSS-UHFFFAOYSA-N,3,1,0.311,61,917,427.428,2.22,5,0.388,0.82,1.0,0.1476509492152697,0.09656637653347955,0.047332259612089644,0.03199746419025427,0.08088676238777329
EOS-3-07094,COc1ccc(Cl)cc1-c1ncnnc1-c1cncc2nnc(-c3ccc(C(N)=O)cn3)n12,OEATZXPAWJDXJY-UHFFFAOYSA-N,3,1,0.333,50,776,459.857,2.466,5,0.418,0.73,0.004,0.3732095127133164,0.3665872798300322,0.2047580700431773,0.2129309163182784,0.2893714447262011
EOS-3-07095,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)cc2)nc1,GDTFJLSMGGREEJ-UHFFFAOYSA-N,3,1,0.31,3,973,436.414,3.03,6,0.414,0.73,1.0,0.08981563977794531,0.18806113357549173,0.26883010074703584,0.36220958124871494,0.22722911383729694
EOS-3-07096,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cc(C)ncn5)c4)n23)cn1,CKHQINPRXMFZMA-UHFFFAOYSA-N,3,1,0.443,89,205,452.478,2.89,5,0.418,0.76,1.0,0.5395106572544719,0.22130080186416284,0.26511205537660204,0.14196251113700226,0.29197150640805974
EOS-3-07097,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)cn1,HNVOAENETVAMDZ-UHFFFAOYSA-N,3,1,0.329,32,179,449.453,3.85,6,0.403,0.8,0.999,0.12860667534781714,0.21605784387636215,0.44588273593310945,0.5069649098759509,0.32437804125830993
EOS-3-07098,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)cn1,FAQRFSBWCKNLDL-UHFFFAOYSA-N,3,1,0.354,32,179,449.453,3.85,6,0.403,0.8,1.0,0.17222088958947296,0.28258858200260434,0.4635220341306285,0.517150983482969,0.35887062230141864
EOS-3-07099,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(C)o5)cn4)n23)cc1,FUKQMGGJRFULAM-UHFFFAOYSA-N,3,1,0.4,89,310,427.424,3.302,5,0.454,0.75,1.0,0.49135597285998217,0.2213093687889795,0.27242820917003635,0.11993694743334933,0.27625762456308683
EOS-3-07100,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(F)c1,JDNRFFGDVPNTHZ-UHFFFAOYSA-N,3,1,0.553,89,402,445.418,1.799,5,0.417,0.71,1.0,0.6311424850935509,0.3133095743951751,0.280147008429854,0.22411075320402987,0.3621774552806525
EOS-3-07101,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(-c5nc(C)n[nH]5)n4)n23)cc1,WPEPFUWHLYJDTH-UHFFFAOYSA-N,3,1,0.373,74,139,445.874,2.96,5,0.435,0.73,1.0,0.24434582962099924,0.3031406346377904,0.17470529778630664,0.160047289424988,0.22055976286752108
EOS-3-07102,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cc1,NOBPIUFRUAFFKS-UHFFFAOYSA-N,3,1,0.382,9,498,432.451,3.106,6,0.418,0.74,1.0,0.10448221506408059,0.033642313755054484,0.16176067438832156,0.21293948324309506,0.12820617161263792
EOS-3-07103,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c1,CTSLQVHBRZKRLD-UHFFFAOYSA-N,3,1,0.338,3,498,448.425,3.301,6,0.4,0.74,1.0,0.19489753957919265,0.3031492015626071,0.3986789801932698,0.5139555205263519,0.35267031046535535
EOS-3-07104,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnnc(-c5ccncc5)n4)n23)cc1,KNDSGHCZPQSHDS-UHFFFAOYSA-N,3,1,0.346,94,515,448.425,3.301,6,0.4,0.74,0.959,0.26049448290041805,0.3571636625316976,0.3685576725378658,0.4539956137344939,0.36005285792611885
EOS-3-07105,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,UNEMBLVXDJONBQ-UHFFFAOYSA-N,3,1,0.6,43,402,436.838,3.353,5,0.417,0.78,1.0,0.7460849153587829,0.8986190117195532,0.5662394626824755,0.647976492358303,0.7147299705297786
EOS-3-07106,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(C(F)F)nc5)n4)n23)cc1,HZWMJZGNZITRGM-UHFFFAOYSA-N,3,1,0.362,62,139,457.444,4.213,5,0.425,0.78,1.0,0.23348296895346446,0.1880697005003084,0.7473699540812829,0.6068038516893975,0.4439316188061133
EOS-3-07107,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnnn4-c4ccc(F)cc4)n23)cc1,ZMGKLKMKSHVQGV-UHFFFAOYSA-N,3,1,0.362,98,973,439.418,2.369,6,0.411,0.71,1.0,0.03879960249468851,0.1708244808443561,0.15853951065725447,0.2477126310739497,0.1539690562675622
EOS-3-07108,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cn1,XVBAWVLMYWZBDD-UHFFFAOYSA-N,3,1,0.538,66,455,424.308,4.21,4,0.461,0.8,1.0,0.42239222808580634,0.6114556918648482,0.9972928517579329,0.984656637653348,0.7539493523404839
EOS-3-07109,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5nncn5C)c(F)c4)n23)cc1F,WFJYYICSSYZPJY-UHFFFAOYSA-N,3,1,0.379,85,413,461.436,2.21,5,0.427,0.7,1.0,0.25767596463573433,0.2671938181070523,0.2765146323075869,0.2506425193612501,0.2630067336029059
EOS-3-07110,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5cc(C)ccn5)n4)n23)cc1F,URCZLCUBVMBPRT-UHFFFAOYSA-N,3,1,0.319,74,768,441.43,2.512,5,0.451,0.65,0.93,0.19771605784387636,0.19237029675827566,0.2293708450414639,0.19786169556575972,0.2043297238023439
EOS-3-07111,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(C(F)(F)F)nn3)n12,DJFUDPJKKMTMID-UHFFFAOYSA-N,3,1,0.524,90,240,438.772,4.014,4,0.438,0.76,1.0,0.8484853676924131,0.8667157837022822,0.9733825645946131,0.9578421629771777,0.9116064697416216
EOS-3-07112,Cn1cc(COc2ncnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,LZRADVHBYGKOTM-UHFFFAOYSA-N,3,1,0.301,74,295,468.481,1.848,6,0.379,0.82,1.0,0.16686656157905558,0.050707627989856764,0.027080049345486943,0.019010006168185867,0.06591606127064628
EOS-3-07113,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cccs5)cc4F)n23)nc1,OBYAVNBQYCPMSQ-UHFFFAOYSA-N,3,1,0.333,33,776,457.494,4.008,6,0.428,0.78,0.962,0.19225892673565897,0.21126893290384482,0.17784079226920704,0.2804725515728874,0.21546030087039955
EOS-3-07114,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cc2)nn1,GKIXUPYGGOOBHK-UHFFFAOYSA-N,3,1,0.308,98,63,453.857,2.939,6,0.396,0.75,1.0,0.015146323075868686,0.11548214652868206,0.32760777191419366,0.40008395586320333,0.21458004934548694
EOS-3-07115,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c(F)c1,ZHWVBEOCAJYCLH-UHFFFAOYSA-N,3,1,0.738,23,406,469.879,4.237,5,0.438,0.83,1.0,0.739942430265232,0.5879309163182784,0.7348451099993146,0.8118617641011583,0.7186450551709959
EOS-3-07116,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(Cl)nn5)n34)cc2)CC1,ZOVPONAYTINATJ-UHFFFAOYSA-N,3,1,0.396,66,334,419.876,3.108,5,0.533,0.71,1.0,0.28745459529847167,0.2018538825303269,0.0704972243163594,0.16521314508943868,0.18125471180864916
EOS-3-07117,CC1(NC(=O)c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)CC1,UWFGJHIWXAJBJF-UHFFFAOYSA-N,3,1,0.5,63,66,435.875,3.096,5,0.495,0.71,1.0,0.4741107532040299,0.44981495442395997,0.06635083270509218,0.14197107806181894,0.2830619045987252
EOS-3-07118,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)o4)n23)cc1,SAHLHAWAGLHCSV-UHFFFAOYSA-N,3,1,0.385,3,641,439.414,3.443,6,0.411,0.75,1.0,0.18367486806935782,0.3232643410321431,0.28386505380028787,0.33938729353711194,0.28254788910972517
EOS-3-07119,CCOc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(C(F)c3ccnnc3)n12,ZZSZNXAOHMHKAP-UHFFFAOYSA-N,3,1,0.367,63,334,433.447,2.931,5,0.477,0.65,1.0,0.2059574395175108,0.1796912480296073,0.3649081625659653,0.3049396888492907,0.2638741347405935
EOS-3-07120,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(Cl)c5)n4)n23)cc1,OHCCBBOQQGGYQX-UHFFFAOYSA-N,3,1,0.333,98,973,455.873,2.883,6,0.398,0.75,1.0,0.030712425467754094,0.2112774998286615,0.12282400109656638,0.2273233500102803,0.14803431910081558
EOS-3-07121,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(Cl)c5)cn4)n23)cc1,ICHHVFVVYSVGFZ-UHFFFAOYSA-N,3,1,0.336,62,302,467.92,4.461,6,0.409,0.89,1.0,0.10449078198889726,0.18807826742512507,0.35753204029881436,0.5234905078473031,0.29339789939003497
EOS-3-07122,Cc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)n1,YZPFBOJASPNSAP-UHFFFAOYSA-N,3,1,0.494,22,121,432.394,3.615,5,0.415,0.8,0.999,0.47411932012884656,0.5586491672949078,0.5982540607223631,0.5761513946953601,0.5517934857103695
EOS-3-07123,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)n1,TWQFBMKIIOQPNB-UHFFFAOYSA-N,3,1,0.292,70,191,433.439,2.501,6,0.412,0.76,1.0,0.07418100198752656,0.0622729764923583,0.08634603522719485,0.09971043794119663,0.08062761291206907
EOS-3-07124,Fc1cncc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ncccn4)cn3)n12,BKFUYLXELWZWIY-UHFFFAOYSA-N,3,1,0.425,46,242,434.822,3.41,5,0.414,0.76,1.0,0.8318141319991775,0.7669882119114523,0.5463299294085395,0.5794410938249606,0.6811433417860324
EOS-3-07125,CCCCOc1ccncc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,XLMZIWSHMZMPOL-UHFFFAOYSA-N,3,1,0.386,63,108,459.51,3.231,5,0.359,0.85,1.0,0.23906860393393187,0.06629086423137551,0.03680350901240491,0.03315399904050442,0.09382924405455417
EOS-3-07126,N#Cc1cncc(-c2ccnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,PXVNTZSONXUXMO-UHFFFAOYSA-N,3,1,0.321,74,453,460.461,2.469,6,0.417,0.72,1.0,0.12559111781235008,0.09338804742649578,0.08882187649921185,0.11994551435816599,0.10693663902405592
EOS-3-07127,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(-c2cccnn2)n1,XMCRHXZDFCWVFP-UHFFFAOYSA-N,3,1,0.536,4,32,430.859,3.579,5,0.416,0.76,1.0,0.8271451579740936,0.9268812966897403,0.33865910492769513,0.3876961825783017,0.6200954355424577
EOS-3-07128,Cc1cnc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)nn5)n34)c2)cn1,ZNTSKVBYXOPKHT-UHFFFAOYSA-N,3,1,0.356,14,351,430.859,3.579,5,0.416,0.76,1.0,0.42714687135905693,0.4763124528819135,0.36491672949078197,0.3490250839558632,0.4043502844219039
EOS-3-07129,COc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)c(F)c1,DJKGQEWTYPODQY-UHFFFAOYSA-N,3,1,0.461,51,969,430.403,2.765,5,0.401,0.77,1.0,0.8318226989239943,0.8048197519018573,0.42749811527654036,0.32980090466726064,0.5984853676924131
EOS-3-07130,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cc1,QBACSEGAYYQAFC-UHFFFAOYSA-N,3,1,0.326,62,302,457.497,4.284,6,0.422,0.85,1.0,0.09212014255362895,0.10957953532999794,0.5361010211774382,0.6068124186142142,0.3361532794188198
EOS-3-07131,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nc2)cn1,WCOQKRXOQHLJBM-UHFFFAOYSA-N,3,1,0.5,27,412,438.373,3.793,5,0.421,0.8,1.0,0.5063309574395175,0.5972774312932629,0.9187341511890892,0.7686501953258859,0.6977481838119389
EOS-3-07132,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)nc1,BSUBKZVZFIWURU-UHFFFAOYSA-N,3,1,0.595,84,308,449.877,4.001,5,0.389,0.83,1.0,0.8438335275169625,0.6887207867863752,0.7586097594407512,0.7482009457884997,0.7598412548831471
EOS-3-07133,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)ccn4)n23)cc1F,KVJJWYFOOURGJG-UHFFFAOYSA-N,3,1,0.511,36,788,459.445,2.06,5,0.409,0.74,1.0,0.447724624768693,0.3081522856555411,0.24372044410938248,0.157365841957371,0.28924079912274686
EOS-3-07134,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(-c5nnnn5C)c4)n23)cc1,NKPKWKKFPCWBNI-UHFFFAOYSA-N,3,1,0.588,43,402,432.875,3.523,5,0.419,0.78,1.0,0.673197519018573,0.6788174216983072,0.4240627784250565,0.46959598382564594,0.5614184257418957
EOS-3-07135,CN(C)Cc1ccc(-c2nnc3cncc(-c4nccnc4Oc4ccc(F)cc4)n23)cn1,GAGOGKDKLAMYQB-UHFFFAOYSA-N,3,1,0.396,82,155,442.458,3.636,5,0.393,0.81,0.978,0.4315074360907409,0.5586577342197245,0.36856623946268247,0.2923377424439723,0.4127672880542801
EOS-3-07136,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnco5)ccn4)n23)cc1,BYNRRCKPKQLAAQ-UHFFFAOYSA-N,3,1,0.484,89,398,454.45,2.708,6,0.394,0.76,0.993,0.3263141662668768,0.10302583784524708,0.10582722226029745,0.10178363374683023,0.1592377150298129
EOS-3-07137,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)nc1,ALHPHVYQRBXTJH-UHFFFAOYSA-N,3,1,0.324,38,818,431.463,3.711,6,0.419,0.77,1.0,0.08982420670276198,0.058512096497841136,0.3685748063874991,0.38770474950311834,0.22615396477280514
EOS-3-07138,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nc5)n34)cc2)ncc1F,QRORKEQEMPQSEE-UHFFFAOYSA-N,3,1,0.309,52,204,466.48,3.65,6,0.421,0.76,1.0,0.33384449318072784,0.22131793571379618,0.16176924131313825,0.20077445000342678,0.22942653005277225
EOS-3-07139,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cc5)no4)n23)cc1,BGFGRDNMFXICLT-UHFFFAOYSA-N,3,1,0.403,62,837,415.388,3.007,5,0.48,0.84,1.0,0.29565314234802276,0.3903005277225687,0.35006168185868003,0.31732746213419233,0.33833570351586595
EOS-3-07140,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)c(F)cc5F)nc4)n23)cc1,WUWYUOOYZFWEMI-UHFFFAOYSA-N,3,1,0.374,62,3,460.419,4.297,5,0.405,0.83,1.0,0.3211911452265095,0.42762661914879035,0.9187427181139058,0.8852203413062847,0.6381952059488726
EOS-3-07141,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ncccn5)cn4)n23)ccc1Cl,WLYNDHHGNOFOQD-UHFFFAOYSA-N,3,1,0.538,73,756,434.822,3.41,5,0.414,0.74,1.0,0.92510794325269,0.9625968062504283,0.5088667671852511,0.560088410664108,0.7391649818381193
EOS-3-07142,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5cnn(C)c5)cs4)n23)cc1,BDAZUKNDLUAKSW-UHFFFAOYSA-N,3,1,0.478,89,398,446.496,2.587,5,0.427,0.76,1.0,0.2712202727708862,0.21128606675347816,0.13394386950860118,0.05403159481872387,0.16762045096292236
EOS-3-07143,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnccn5)n4)n23)nc1,BLZMMEOJZOPJLS-UHFFFAOYSA-N,3,1,0.411,33,53,440.427,1.372,5,0.411,0.71,1.0,0.3958861627030361,0.1292063600849839,0.04898567610170653,0.019018573093002537,0.14827419299568229
EOS-3-07144,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)nc2)nc1,YJXZUZNVSSBREQ-UHFFFAOYSA-N,3,1,0.297,10,952,436.414,3.03,6,0.414,0.74,0.988,0.02596634911932013,0.13611986841203483,0.19436639024055924,0.28633232814748816,0.1606962339798506
EOS-3-07145,Fc1c(-c2cnccn2)cccc1-c1nnc2cncc(-c3nnn(-c4ccccc4)n3)n12,MDHHIOUJBZHUAD-UHFFFAOYSA-N,3,1,0.301,10,952,436.414,3.03,6,0.414,0.74,1.0,0.025974916044136796,0.15910492769515455,0.23308889041189776,0.3298094715920773,0.1869945514358166
EOS-3-07146,N#Cc1ccc(-c2nnc3cncc(-c4cnn(Cc5cc(Cl)ccc5F)n4)n23)cn1,LECMUKGDMUAUNJ-UHFFFAOYSA-N,3,1,0.333,22,844,431.822,3.157,5,0.429,0.77,0.371,0.21981015694606265,0.4093533685148379,0.6254112123912,0.7351278185182647,0.4974256390925913
EOS-3-07147,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1)N1CCCCC1,OMJRGQFQFDPISQ-UHFFFAOYSA-N,3,1,0.38,52,376,461.529,4.541,6,0.39,0.9,0.997,0.02280515386196971,0.005448564183400726,0.004840312521417312,0.04222637242135563,0.018830100747035845
EOS-3-07148,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(C(F)F)nc5)n34)nc2)CC1,LWYJZFRCYTVHLG-UHFFFAOYSA-N,3,1,0.347,63,505,435.438,3.392,5,0.499,0.68,0.132,0.16155506819272153,0.15130045918717017,0.24726715098348298,0.28945068878075525,0.21239334178603247
EOS-3-07149,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)cc1)N1CC(F)(F)C1,GOVKOESZNMCCED-UHFFFAOYSA-N,3,1,0.347,62,376,469.455,4.006,6,0.395,0.86,1.0,0.2659344801590021,0.2518847234596669,0.3460437941196628,0.46020663422657804,0.3310174079912275
EOS-3-07150,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccn5C)c4)n23)cc1,NZFRELUTYVUNLL-UHFFFAOYSA-N,3,1,0.511,89,656,454.494,2.916,5,0.402,0.75,1.0,0.4687992598176958,0.11264649441436501,0.23309745733671441,0.1082088273593311,0.23068800973202658
EOS-3-07151,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)nc1,GEMDFMPBULECMG-UHFFFAOYSA-N,3,1,0.296,70,899,438.48,3.167,6,0.412,0.74,1.0,0.11503666643821533,0.1187718456582825,0.11111301487218148,0.14935576725378658,0.12356932355561646
EOS-3-07152,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)n1,XFJHQEGDXIDSAM-UHFFFAOYSA-N,3,1,0.294,10,37,436.414,3.03,6,0.388,0.8,0.989,0.015154890000685354,0.07699952025221027,0.2293794119662806,0.3015557535467069,0.15577239394147077
EOS-3-07153,Cc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,FDBVQRHEYRUTRY-UHFFFAOYSA-N,3,1,0.374,62,310,463.501,4.241,6,0.401,0.87,1.0,0.4065091494757042,0.16686656157905558,0.25086525940648347,0.2184908505242958,0.26068295524638474
EOS-3-07154,COc1cnc(-c2ncccc2-c2nnc3cncc(Cc4ccc(F)c(F)c4)n23)nc1,AQJSJXZTWVAGGU-UHFFFAOYSA-N,3,1,0.382,14,81,431.406,3.521,5,0.42,0.74,0.999,0.6031800424919471,0.577599204989377,0.6254197793160168,0.6034713179357138,0.6024175861832637
EOS-3-07155,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)n2)cc1F,DKVCUUCSZXZDTO-UHFFFAOYSA-N,3,1,0.288,10,871,442.393,3.102,6,0.446,0.7,0.126,0.05744979782057433,0.1837348365430745,0.47733191693509697,0.5340106915221712,0.3131318107052292
EOS-3-07156,Fc1ccc(Cl)cc1-c1nnc2cncc(OCc3ncc(-c4cncnc4)cn3)n12,PVKNGHPMVYFTKD-UHFFFAOYSA-N,3,1,0.458,51,969,434.822,3.41,5,0.414,0.78,1.0,0.7219433212254129,0.8201716811733261,0.6310482489205674,0.6710643547392228,0.7110569015146323
EOS-3-07157,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(F)cc5)nn4)n23)nc1,BANLQKSBQAGZGD-UHFFFAOYSA-N,3,1,0.333,52,776,468.452,3.467,6,0.402,0.82,1.0,0.417654718662189,0.36659584675484885,0.20476663696799396,0.277568364060037,0.31664639161126723
EOS-3-07158,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1F,WLPUWUJNMZEGRR-UHFFFAOYSA-N,3,1,0.548,90,306,470.867,3.632,5,0.414,0.79,1.0,0.6311510520183675,0.4632050579124118,0.5530206976903571,0.6508292783222535,0.5745515214858474
EOS-3-07159,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5c(C)nn(C)c5C)ccc4F)n23)cc1,RJZOFHKSGJLFIX-UHFFFAOYSA-N,3,1,0.374,62,124,455.497,3.974,5,0.443,0.76,1.0,0.19772462476869304,0.24176718525118224,0.4600095949557947,0.32660544171064354,0.3065267116715784
EOS-3-07160,Cn1cnc(-c2cccc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)cc1=O,BXTBAOCENWGMDY-UHFFFAOYSA-N,3,1,0.389,13,412,431.843,3.393,5,0.43,0.78,1.0,0.5063395243643342,0.4498235213487766,0.46353060105544514,0.46653759166609554,0.4715578096086629
EOS-3-07161,OCc1cccc(COc2cncc3nnc(-c4cc(F)cc(-c5cnccn5)c4)n23)n1,IRCRFNPFCFNDFD-UHFFFAOYSA-N,3,1,0.558,4,439,429.415,2.854,5,0.439,0.77,1.0,0.49366047563566584,0.48483654307449797,0.5886933726269619,0.5268230416009869,0.5235033582345281
EOS-3-07162,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(C(F)c3ccc(Cl)nc3)n12,JJRRBBHKQIOUDC-UHFFFAOYSA-N,3,1,0.37,63,334,452.877,3.799,5,0.447,0.74,1.0,0.36391439928723185,0.3809711465972175,0.6340809403056679,0.6098708107737647,0.4972093242409705
EOS-3-07163,C#Cc1cccc(-c2nnc(C)nc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,QEOSCXGHRJALDV-UHFFFAOYSA-N,3,1,0.36,62,124,432.447,2.699,5,0.433,0.71,1.0,0.13932389829346858,0.06629943115619218,0.2651206223014187,0.24192138989788226,0.17816633541224042
EOS-3-07164,Fc1ccc(-c2cncnc2)nc1-c1nnc2cncc(-c3ccc(-c4nn[nH]n4)nc3)n12,HXGOCSQZTYSHBV-UHFFFAOYSA-N,3,1,0.256,94,165,438.39,2.024,6,0.433,0.68,0.998,0.19490610650400933,0.29820608594338976,0.16486190117195532,0.21294805016791174,0.21773053594681654
EOS-3-07165,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)cn5)n34)nn2)c1,FXYYPSSKWKMWHG-UHFFFAOYSA-N,3,1,0.346,32,72,447.437,3.906,6,0.4,0.78,0.986,0.2032160235761771,0.30816085258035775,0.48104139538071417,0.5633866767185252,0.3889512370639435
EOS-3-07166,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ccn1,YSSPTWPCLWWUKA-UHFFFAOYSA-N,3,1,0.292,30,301,432.451,3.106,6,0.418,0.75,1.0,0.05067336029059009,0.017305188129668973,0.1461089027482695,0.22411932012884656,0.10955169282434378
EOS-3-07167,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cn4)n23)c(F)c1,KKFMJKGDJXHBLX-UHFFFAOYSA-N,3,1,0.364,85,81,427.403,1.867,5,0.449,0.66,1.0,0.1895603454184086,0.17542491947090672,0.33139435268316086,0.2894592557055719,0.24645971831951202
EOS-3-07168,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)nc1,YJAITAGTSFTMKF-UHFFFAOYSA-N,3,1,0.552,84,159,431.887,3.862,5,0.406,0.81,1.0,0.685448221506408,0.6351432389829347,0.47393084778287986,0.5001028030978,0.5736562778425056
EOS-3-07169,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,XSLLDFMLNLLHQK-UHFFFAOYSA-N,3,1,0.301,63,108,414.429,1.5,5,0.507,0.79,1.0,0.08058906175039408,0.020894729627852784,0.0260006168185868,0.017330888904118977,0.03620382427523816
EOS-3-07170,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)nc2)cc1,UVWYFWVUHHVYPA-UHFFFAOYSA-N,3,1,0.32,30,664,441.458,3.973,6,0.407,0.79,0.997,0.006245288191350833,0.07361558494962649,0.6282811322047838,0.6479850592831198,0.3390317661572202
EOS-3-07171,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(F)c5)cn4)n23)cc1F,JWBPETHYBYNNCV-UHFFFAOYSA-N,3,1,0.451,51,969,474.431,2.86,5,0.399,0.83,1.0,0.6486532794188198,0.43226132547460766,0.5394078541566719,0.45072304845452676,0.5177613768761565
EOS-3-07172,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C)c5)ccc4F)n23)c(F)c1,LBNRNPZEZZZOGU-UHFFFAOYSA-N,3,1,0.353,61,648,459.46,3.887,5,0.431,0.78,1.0,0.21702590638064562,0.28780583921595504,0.7322578987046809,0.6479936262079364,0.47127081762730455
EOS-3-07173,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)n1C,YBVSIXOWSNLYHE-UHFFFAOYSA-N,3,1,0.396,33,168,441.455,1.968,5,0.422,0.72,1.0,0.382478925364951,0.09657494345829622,0.13719930093893495,0.059925639092591326,0.16904470221369336
EOS-3-07174,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cccc(F)c4)n23)cc1,FABOWPWZHDDCOW-UHFFFAOYSA-N,3,1,0.37,67,642,450.441,3.245,6,0.402,0.75,1.0,0.20885306010554452,0.31331814131999175,0.3204201219930094,0.4061664724830375,0.3121894489753958
EOS-3-07175,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5F)nc4)n23)cc1,NUBKZUXDNIMGMQ-UHFFFAOYSA-N,3,1,0.408,25,791,450.441,3.245,6,0.402,0.75,1.0,0.19226749366047563,0.30315776848742376,0.28760023302035503,0.375,0.2895063737920636
EOS-3-07176,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)nc1,ZERBFCHVRBQRMD-UHFFFAOYSA-N,3,1,0.3,99,356,452.417,2.035,6,0.39,0.72,1.0,0.1508378452470701,0.23154684394489755,0.07050579124117606,0.14693989445548625,0.1499575937221575
EOS-3-07177,COc1cccc(-c2nnc3cncc(OCc4cccc(-c5ncc(C#N)cn5)c4)n23)n1,ICXPMOKNLHHRLH-UHFFFAOYSA-N,3,1,0.433,49,348,436.435,3.103,5,0.395,0.78,1.0,0.6172554999657323,0.44544582276745937,0.44234459598382564,0.3233243095058598,0.4570925570557193
EOS-3-07178,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccsc5)cc4)n23)cc1,SOIIIYWFGRKULW-UHFFFAOYSA-N,3,1,0.386,62,916,451.555,5.003,6,0.394,0.94,1.0,0.1864248509355082,0.08402439860187787,0.43106195600027414,0.5001113700226166,0.3004056438900692
EOS-3-07179,Cn1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cn1,JMXWVSADSFWXOK-UHFFFAOYSA-N,3,1,0.268,86,874,433.439,2.501,6,0.412,0.73,1.0,0.0447364813926393,0.033650880679871154,0.19777602631759303,0.18432595435542456,0.115122335686382
EOS-3-07180,FC(F)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(Cl)cn5)nn4)n23)cn1,HIIOMKRYBVGHOR-UHFFFAOYSA-N,3,1,0.434,50,243,438.789,3.086,5,0.416,0.72,0.622,0.26323589884175175,0.4807329860873141,0.46001816188061134,0.5101946405318347,0.42854542183537797
EOS-3-07182,Fc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)n1,ZXVDHJZTMKARGJ-UHFFFAOYSA-N,3,1,0.302,3,289,435.426,3.635,6,0.417,0.74,0.96,0.05068192721540676,0.2160664108011788,0.4423531629086423,0.5234990747721198,0.30815014392433693
EOS-3-07183,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)nc1,AVRLQCSMBCDLQB-UHFFFAOYSA-N,3,1,0.282,10,871,435.426,3.635,6,0.417,0.74,0.906,0.02381605099033651,0.1222071825097663,0.35391679802618053,0.4287060516756905,0.23216152080049346
EOS-3-07184,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)c(F)c5)n4)n23)cc1,DRUDVQKJIFUYQS-UHFFFAOYSA-N,3,1,0.375,74,331,474.887,3.724,6,0.416,0.82,1.0,0.15883935302583785,0.3185268316085258,0.36119868412034817,0.5139640874511685,0.33813223905147005
EOS-3-07185,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nncn5C)n4)n23)cc1,JRBOHFFIVWUORB-UHFFFAOYSA-N,3,1,0.441,89,926,442.443,1.315,5,0.412,0.72,1.0,0.38708793091631827,0.17083304776917277,0.0489942430265232,0.01963539167980262,0.15663765334795424
EOS-3-07186,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)ccn4)n23)nc1,KJGGRMPXFLYVAA-UHFFFAOYSA-N,3,1,0.402,33,760,442.443,1.315,5,0.412,0.72,0.999,0.30339764238229044,0.1062641354259475,0.05645603454184086,0.021237406620519497,0.12183880474264956
EOS-3-07187,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)c2)cc1=O,OGLPCRHXKAMMDW-UHFFFAOYSA-N,3,1,0.576,35,393,443.442,2.708,5,0.398,0.76,1.0,0.5270115139469536,0.46321362483722844,0.5293931190459873,0.4907391542731821,0.5025893530258378
EOS-3-07188,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccon5)ncc4Cl)n23)cc1,NOULLKXCUJWBJM-UHFFFAOYSA-N,3,1,0.5,89,805,461.869,3.433,5,0.408,0.8,1.0,0.7066770612021109,0.5305325200466041,0.4773404838599136,0.3782896991296004,0.5232099410595572
EOS-3-07189,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)cc(-c5ccsc5)c4)n23)cc1,MQBOGXVHWLNSMW-UHFFFAOYSA-N,3,1,0.436,14,319,429.48,4.349,5,0.45,0.76,1.0,0.28463607703378796,0.19697073538482626,0.7704663833870194,0.7377664313617983,0.49745990679185803
EOS-3-07190,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccn5)n4)n23)cc1,QGSWYIYPKYAIKU-UHFFFAOYSA-N,3,1,0.427,89,408,465.477,2.51,6,0.385,0.78,1.0,0.3870964978411349,0.14355595915290248,0.0509903365088068,0.05555650743609074,0.15929982523473374
EOS-3-07191,Cc1ncc(-c2nnc3cncc(Oc4ncc(-c5ccc(Cl)cn5)cc4F)n23)cn1,HEVROCJLVXXIGZ-UHFFFAOYSA-N,3,1,0.371,51,969,434.822,3.932,5,0.419,0.78,1.0,0.7156551984099787,0.722020423548763,0.5463384963333562,0.5404444520594888,0.6311146425878966
EOS-3-07192,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)n2)cc1,FWLHJSBBMZKUTB-UHFFFAOYSA-N,3,1,0.307,39,871,436.414,3.03,6,0.414,0.72,0.418,0.01110273456240148,0.10303440477006373,0.15854807758207115,0.2567850044548009,0.1323675553423343
EOS-3-07193,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cn4)n23)nc1,QCTPSWHXGFDUSE-UHFFFAOYSA-N,3,1,0.327,96,776,457.444,3.754,5,0.417,0.8,1.0,0.20322459050099376,0.19237886368309232,0.5015077787677336,0.5037608799945171,0.3502180282365842
EOS-3-07194,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4)n23)cc1,JOOWKYVSHURJLE-UHFFFAOYSA-N,3,1,0.314,25,213,451.429,2.64,6,0.398,0.73,1.0,0.21703447330546227,0.26720238503186894,0.1680316633541224,0.2129566170927284,0.21630628469604551
EOS-3-07195,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,VKNXEKJWTNROML-UHFFFAOYSA-N,3,1,0.479,89,731,470.468,2.922,5,0.368,0.82,1.0,0.38248749228976764,0.132530326913851,0.2688386676718525,0.17336885751490644,0.23930633609759439
EOS-3-07196,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)ccn4)n23)nc1,OWOUHFXBUPRNHI-UHFFFAOYSA-N,3,1,0.39,33,53,455.482,2.229,5,0.413,0.72,0.985,0.24731855253238297,0.08052052635186073,0.11989411280926598,0.03976766499897197,0.12187521417312042
EOS-3-07197,Cc1csc(-c2ccc(OCc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nn2)n1,GVYPXXLDGUQFHH-UHFFFAOYSA-N,3,1,0.394,14,740,444.48,2.691,5,0.422,0.72,1.0,0.3314029196079775,0.19238743060790897,0.08399869782742787,0.038516893975738466,0.1615764855047632
EOS-3-07198,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cn4)n23)cc1,QACZAMYEXRVXMY-UHFFFAOYSA-N,3,1,0.294,94,615,450.441,3.245,6,0.402,0.77,1.0,0.2659430470838188,0.2878144061407717,0.3167534781714756,0.3586543074497978,0.30729130971146595
EOS-3-07199,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)nc4)n23)cn1,XAQYAKYZAYNMNB-UHFFFAOYSA-N,3,1,0.573,55,930,430.859,3.579,5,0.416,0.77,1.0,0.7694469193338359,0.7541206908368172,0.3765334795421835,0.3490336508806799,0.5622836851483791
EOS-3-07200,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccnc4)n23)cn1,XWASCTOQGFPCOQ-UHFFFAOYSA-N,3,1,0.271,94,165,432.451,3.106,6,0.418,0.77,0.978,0.1421424165581523,0.03980193269823864,0.20477520389281065,0.20979542183537797,0.14912874374614488
EOS-3-07201,OCc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cc2)cc1,MIJFJLAIMVZUIE-UHFFFAOYSA-N,3,1,0.333,93,689,446.474,3.593,6,0.431,0.76,1.0,0.04609005551367281,0.12221574943458297,0.442361729833459,0.5001199369474334,0.27769686793228704
EOS-3-07202,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)nc(OC5CCCCO5)n4)n23)cc1F,SANLPPAIIKXNGJ-UHFFFAOYSA-N,3,1,0.295,63,792,464.461,2.356,5,0.473,0.67,0.98,0.29011890891645536,0.13612843533685148,0.015274826948118703,0.02201699677883627,0.11588479199506546
EOS-3-07203,COC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnc(C)cn5)c4)n23)cc1F,HFHJSSWYNWDYTE-UHFFFAOYSA-N,3,1,0.343,50,450,430.403,2.668,5,0.4,0.75,1.0,0.007847303132067713,0.13613700226166814,0.32761633883901037,0.22733191693509697,0.1747331402919608
EOS-3-07204,Cn1nnc(-c2cc(Cl)cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,WABILUQRVVVCQB-UHFFFAOYSA-N,3,1,0.56,43,258,461.873,2.313,5,0.406,0.73,1.0,0.5771794256733603,0.4142193818107052,0.2616424508258515,0.23317455966006442,0.3715539544924954
EOS-3-07205,Cn1nnnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,LHHSPBWKYAKFCR-UHFFFAOYSA-N,3,1,0.64,43,402,436.838,3.353,5,0.417,0.76,1.0,0.8642399424302653,0.9176718525118224,0.5887019395517785,0.6830066479336577,0.763405095606881
EOS-3-07206,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)cn1,QXRSXEBNNSBWBB-UHFFFAOYSA-N,3,1,0.429,46,128,436.838,3.353,5,0.417,0.76,1.0,0.43845521211705846,0.5631211020492084,0.5015163456925502,0.5268316085258036,0.5074810670961551
EOS-3-07207,c1cncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnn5)cc4)n23)c1,XUYIWGYCGCOYEH-UHFFFAOYSA-N,3,1,0.25,64,339,429.447,3.767,6,0.417,0.81,1.0,0.13686519087108492,0.06228154341717497,0.32400109656637655,0.38771331642793505,0.22771528682064288
EOS-3-07208,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccn5)c4)n23)cc1,HBRJYIDOUNRVOY-UHFFFAOYSA-N,3,1,0.536,89,770,424.424,2.321,5,0.439,0.73,1.0,0.670387567678706,0.1754334863957234,0.2911212391200055,0.18169590843670755,0.3296595504077856
EOS-3-07209,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cncc(F)c5)n4)n23)cc1,QORDHXIKNJIGOC-UHFFFAOYSA-N,3,1,0.306,8,890,439.418,2.369,6,0.411,0.69,1.0,0.028450757316153794,0.1591134946199712,0.1808306490302241,0.2241278870536632,0.1481306970050031
EOS-3-07210,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4Cl)n23)c(C)n1,HFPDJPPGBMKXSG-UHFFFAOYSA-N,3,1,0.347,96,204,455.909,4.237,5,0.435,0.79,0.999,0.23907717085874855,0.2417757521759989,0.4058409293400041,0.40963607703378796,0.3240824823521349
EOS-3-07211,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cn(C)nc5CC)cnn4)n23)cc1,JHJZRZZYHOUHQC-UHFFFAOYSA-N,3,1,0.309,74,295,453.51,2.961,5,0.42,0.73,1.0,0.030720992392570763,0.010074703584401344,0.10319717634158043,0.05015934480159002,0.04853805428003564
EOS-3-07212,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,FTPMREVNSNCDEV-UHFFFAOYSA-N,3,1,0.347,98,865,434.467,3.049,6,0.42,0.73,1.0,0.07031731889520938,0.020903296552669454,0.14033479542183538,0.13075697347680076,0.09057809608662874
EOS-3-07213,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5ccc(F)nc5)c4)n23)cc1,VDSMYTWKILFBMS-UHFFFAOYSA-N,3,1,0.517,97,91,459.416,3.204,5,0.387,0.78,1.0,0.8368429168665615,0.3424371187718457,0.7682818175587691,0.6536563635117538,0.6503045541772325
EOS-3-07214,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)n5C)n4)n23)cc1,SKMSARNDRVBZQZ-UHFFFAOYSA-N,3,1,0.479,89,926,455.482,2.229,5,0.413,0.74,0.999,0.3237612226715098,0.13614556918648482,0.04900280995133987,0.018401754506202454,0.13182783907888423
EOS-3-07215,COc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3F)n12,CITOLWKPIDTBGF-UHFFFAOYSA-N,3,1,0.344,61,917,452.4,3.734,5,0.401,0.82,0.998,0.3732180796381331,0.5169111095881023,0.8134466451922417,0.7635443081351518,0.6167800356384072
EOS-3-07216,CCn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)cn2)cn1,HJYJIYCGFWDCMM-UHFFFAOYSA-N,3,1,0.263,99,286,438.459,2.051,6,0.401,0.74,1.0,0.009766294291001303,0.0157545747378521,0.047340826536906314,0.03730895757658831,0.027542663285587007
EOS-3-07217,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cnc4F)n23)cc1,XLKHVNHTQOCUFC-UHFFFAOYSA-N,3,1,0.322,98,213,451.429,2.64,6,0.372,0.78,1.0,0.1561921732574875,0.24689877321636625,0.32042868891782605,0.34904221780549655,0.2681404632992941
EOS-3-07218,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(F)c1,NTEOYQGGSUKMOR-UHFFFAOYSA-N,3,1,0.5,61,121,437.385,3.994,5,0.414,0.81,1.0,0.45493797546432735,0.7313326708244808,0.9031851826468371,0.8892810636693852,0.7446842231512577
EOS-3-07219,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cn5)ns4)n23)c(F)c1,ZGFKAQDZSAKNBJ-UHFFFAOYSA-N,3,1,0.385,22,155,436.407,2.749,5,0.459,0.68,1.0,0.17492803783153998,0.26721095195668565,0.25794153930505104,0.31121924473990814,0.2528249434582962
EOS-3-07220,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnco5)cn4)n23)cc1,NXVIUKQSSLYISF-UHFFFAOYSA-N,3,1,0.473,89,408,428.412,2.175,5,0.432,0.73,1.0,0.46158590912206154,0.2018624494551436,0.19437495716537592,0.09170036323761223,0.2373809197450483
EOS-3-07221,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1F,QFBIOAGUFDPURA-UHFFFAOYSA-N,3,1,0.566,90,708,412.812,2.917,4,0.541,0.81,1.0,0.6610667534781715,0.5776077719141937,0.6282896991296004,0.5761599616201768,0.6107810465355357
EOS-3-07222,O=C(O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cc5F)c4)n23)cc1,FQIWIBKKXZUAHK-UHFFFAOYSA-N,3,1,0.392,96,558,429.386,4.497,5,0.452,0.88,1.0,0.35718936330614764,0.11549071345349873,0.8689945857035158,0.832139675142211,0.5434535844013433
EOS-3-07223,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccncc6)nc5)n34)nc2)nc1,HKYGUPZBGXDREE-UHFFFAOYSA-N,3,1,0.322,42,687,429.447,3.767,6,0.417,0.78,1.0,0.13933246521828524,0.1154992803783154,0.3612072510451648,0.3685319717634158,0.2461427421012953
EOS-3-07224,Fc1ccc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)cn2)cc1,IQIXVTBKBLGMHK-UHFFFAOYSA-N,3,1,0.303,10,748,453.416,3.774,6,0.401,0.77,0.998,0.005320060311150709,0.11265506133918168,0.5982626276471797,0.7241878555273799,0.360106401206223
EOS-3-07225,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)n1,DUGORCPFCILDNI-UHFFFAOYSA-N,3,1,0.547,36,926,428.416,1.055,5,0.418,0.74,1.0,0.37793845521211705,0.15529264615173738,0.06235864574052498,0.028245151120553764,0.1559587245562333
EOS-3-07226,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnnc(F)n5)cc4F)n23)cc1F,ICBNHWZDDJMJLP-UHFFFAOYSA-N,3,1,0.326,74,413,463.383,2.482,5,0.431,0.68,1.0,0.37322664656294974,0.35216057843876364,0.5626756219587417,0.5203892810636694,0.45211303200603115
EOS-3-07227,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccc5F)cc4F)n23)nc1,SCMLCPMSKVPLJA-UHFFFAOYSA-N,3,1,0.344,45,533,446.392,4.037,5,0.449,0.75,0.918,0.290127475841272,0.37625933794805017,0.9053611815502707,0.9116921389897882,0.6208600335823452
EOS-3-07228,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ccn4)n23)nc1,WITISHMAZUFAJC-UHFFFAOYSA-N,3,1,0.456,46,267,434.822,3.41,5,0.414,0.72,1.0,0.5550253580974573,0.6114642587896648,0.5361095881022548,0.5761685285449935,0.5696919333835926
EOS-3-07229,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)n2)c(F)c1,MDZUQPXQQCWCDG-UHFFFAOYSA-N,3,1,0.283,10,871,454.404,3.169,6,0.399,0.73,0.368,0.05395449249537386,0.2160749777259955,0.38014872181481735,0.45400418065931053,0.2760455931738743
EOS-3-07230,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC6CCOCC6C5)nn4)n23)cc1,QRINBDHJMOZXMD-UHFFFAOYSA-N,3,1,0.388,0,546,470.493,1.456,6,0.472,0.75,1.0,0.08272222602974437,0.005457131108217394,0.004120690836817216,0.01670550339250223,0.027251387841820303
EOS-3-07231,Cn1nnc(-c2cc(F)cc(-c3cncc4nnc(-c5nncnc5-c5ccncc5)n34)c2)n1,IKGJTMVIHNLGPM-UHFFFAOYSA-N,3,1,0.276,99,356,452.417,2.035,6,0.39,0.73,0.998,0.07418956891234323,0.13253889383866768,0.10061853197176342,0.16522171201425537,0.11814217668425742
EOS-3-07232,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ccn5)cn4)n23)cc1,XSQYPAYQMCUJMR-UHFFFAOYSA-N,3,1,0.552,1,850,442.41,3.665,5,0.424,0.75,1.0,0.48886299773833186,0.14723973682406963,0.6548557329860873,0.5203978479884861,0.45283907888424374
EOS-3-07233,N#Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)nc2)c1,ZPVNDNUWECYZQE-UHFFFAOYSA-N,3,1,0.547,97,210,441.401,3.977,5,0.407,0.84,1.0,0.8730553080666164,0.9362620793639915,0.8796261394010007,0.8823504214927009,0.8928234870810774
EOS-3-07234,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1,UZRLFDKWNFZXPU-UHFFFAOYSA-N,3,1,0.362,36,310,471.456,2.805,6,0.401,0.82,1.0,0.4838599136453978,0.31332670824480846,0.13103111507093415,0.15197724624768694,0.27004874580220684
EOS-3-07235,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cnc(Cl)nc4)n23)cc1,PTCLFLPIDCWIFM-UHFFFAOYSA-N,3,1,0.34,74,582,469.896,3.251,6,0.389,0.84,1.0,0.24732711945719965,0.2315554108697142,0.11388869851278186,0.19261017065314234,0.1963453498732095
EOS-3-07236,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)ccn2)nn1,PPLLANNSQPPXIP-UHFFFAOYSA-N,3,1,0.312,98,882,435.455,2.444,6,0.414,0.72,1.0,0.04035021588650538,0.020911863477486123,0.1310396819957508,0.12452025221026661,0.07920550339250224
EOS-3-07237,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnnc(F)c5)n34)nc(C)n2)cn1,XRSDIKDRZDLTQL-UHFFFAOYSA-N,3,1,0.452,46,500,429.419,2.768,5,0.416,0.73,1.0,0.555033925022274,0.43688746487560826,0.25795010622986775,0.19505174422589266,0.3612308100884106
EOS-3-07238,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4cnc(-c5cncnn5)nc4)n23)cn1,BEDHNTKGQKVUQO-UHFFFAOYSA-N,3,1,0.357,85,362,436.361,2.438,5,0.418,0.69,1.0,0.36635597285998217,0.34244568569666234,0.67436262079364,0.5204064149133028,0.4758926735658968
EOS-3-07239,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)ccc2F)cn1,DOTZIZRGYIRWPS-UHFFFAOYSA-N,3,1,0.398,33,760,445.418,1.799,5,0.417,0.72,0.979,0.3571979302309643,0.23156397779453086,0.2047837708176273,0.13299294085395105,0.23163465492426838
EOS-3-07240,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)cc1,SLHFTHDXOHZEHU-UHFFFAOYSA-N,3,1,0.32,30,118,435.426,3.635,6,0.417,0.75,0.881,0.04474504831745597,0.17544205332054005,0.3649252964155987,0.4817096155164142,0.2667055033925022
EOS-3-07241,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)n2)cc1,APIJUSNJOJQUJV-UHFFFAOYSA-N,3,1,0.292,10,118,435.426,3.635,6,0.417,0.75,0.679,0.03327393598793777,0.15130902611198685,0.36493386334041533,0.49074772119799875,0.26006613665958467
EOS-3-07242,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cc4F)n23)cc1,LKBRPEUNPSVHMM-UHFFFAOYSA-N,3,1,0.517,90,12,462.819,3.553,4,0.422,0.75,1.0,0.9275923514495237,0.7453310259749161,0.8892125282708518,0.8341700363237612,0.8490764855047632
EOS-3-07243,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ncc(-c5nncs5)cc4F)n23)cc1F,RBXOINYWXXCLGR-UHFFFAOYSA-N,3,1,0.378,13,706,466.433,3.135,5,0.42,0.76,1.0,0.6116612980604482,0.4409224864642588,0.394960934822836,0.317336029059009,0.441220187101638
EOS-3-07244,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncs5)nn4)n23)cc1,QEXNWKJZVRLAQL-UHFFFAOYSA-N,3,1,0.359,74,333,415.442,2.126,5,0.473,0.82,1.0,0.12559968473716673,0.06976903570694264,0.06832979233774245,0.04748646425878966,0.07779624426016037
EOS-3-07245,N#Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4Cl)n23)cn1,RFUJXMHAKVHELT-UHFFFAOYSA-N,3,1,0.338,73,261,429.806,3.369,5,0.428,0.74,1.0,0.38710506476595163,0.4990148036460832,0.6310568158453841,0.6969536015351929,0.5535325714481529
EOS-3-07246,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)nc2)n1,ZHNYTBJCAZYGCN-UHFFFAOYSA-N,3,1,0.274,98,213,437.427,2.402,6,0.404,0.75,1.0,0.057458364745391,0.05446850798437393,0.04393975738468919,0.048848605304639844,0.051178808854773494
EOS-3-07247,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)cn1,MODZDYQFWSUGJC-UHFFFAOYSA-N,3,1,0.286,99,286,437.431,1.234,6,0.395,0.71,1.0,0.11199540812829827,0.06229011034199164,0.01747652662600233,0.01791343979165239,0.05241887122198615
EOS-3-07248,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,IIUOCYIYKGVRCJ-UHFFFAOYSA-N,3,1,0.307,8,882,449.482,2.927,6,0.394,0.76,1.0,0.055625042834624085,0.036572202042354875,0.03155198409978754,0.04612432321293948,0.04246838804742649
EOS-3-07249,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(C)n5)nc4)n23)cc1,GYSPUDJZNYGSKZ-UHFFFAOYSA-N,3,1,0.357,74,139,422.452,2.978,5,0.474,0.69,1.0,0.1922760605852923,0.04710095264203961,0.2876087999451717,0.17593893495990678,0.1757311870331026
EOS-3-07250,Cc1c(F)cccc1COc1cncc2nnc(-c3cccc(-c4cc(=O)n(C)cn4)c3)n12,DDXHPTBCLHFVGN-UHFFFAOYSA-N,3,1,0.484,43,521,442.454,3.579,5,0.414,0.77,1.0,0.5887790418751285,0.45432972380234393,0.6987012541977932,0.6246573230073333,0.5916168357206497
EOS-3-07251,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)o1,WQXRGZCUGHGJQO-UHFFFAOYSA-N,3,1,0.319,98,424,436.439,3.007,6,0.41,0.74,1.0,0.08709135768624494,0.050716194914673426,0.14034336234665204,0.12452881913508328,0.10066993352066342
EOS-3-07252,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)no1,CGZBBYDKUURMGX-UHFFFAOYSA-N,3,1,0.315,98,882,436.439,3.007,6,0.41,0.74,1.0,0.08479542183537797,0.08403296552669454,0.10062709889658009,0.08972140360496196,0.08979422246590363
EOS-3-07253,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cc1,SCSGYGAEPKUAFT-UHFFFAOYSA-N,3,1,0.346,64,27,449.453,3.85,6,0.403,0.8,1.0,0.21164587759577821,0.28782297306558835,0.39496950174765266,0.47853985333424714,0.3432445514358166
EOS-3-07254,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cn1,HAJVNGPZFWBLGA-UHFFFAOYSA-N,3,1,0.325,64,449,449.453,3.85,6,0.403,0.8,1.0,0.17493660475635667,0.2620365293674183,0.4164039476389555,0.46334212870947844,0.32917980261805224
EOS-3-07256,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,KDQJZQYHSZLZDZ-UHFFFAOYSA-N,3,1,0.368,9,38,447.437,3.906,6,0.4,0.79,1.0,0.3007247618394901,0.3855972859982181,0.6226183949009664,0.6797854842025907,0.4971814817353163
EOS-3-07257,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1,GAVKYNVHVCWVOO-UHFFFAOYSA-N,3,1,0.321,64,449,447.437,3.906,6,0.4,0.79,1.0,0.2901360427660887,0.3713761908025495,0.36858337331231583,0.4477588924679597,0.36946362483722844
EOS-3-07258,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccccc4-c4ccccc4)n23)nc1,DXYYJFBWWCTBRU-UHFFFAOYSA-N,3,1,0.319,25,553,432.451,3.106,6,0.418,0.74,1.0,0.10695805633609759,0.0697776026317593,0.10063566582139676,0.1869302994996916,0.1160754060722363
EOS-3-07259,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1,ZXUQOGGUAQJXOY-UHFFFAOYSA-N,3,1,0.28,70,957,432.451,3.106,6,0.418,0.74,0.987,0.0723048454526763,0.03046398464807073,0.22220889589472964,0.23607018024809814,0.1402619765608937
EOS-3-07260,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,FPXKDYGRQQQSAD-UHFFFAOYSA-N,3,1,0.307,25,213,432.451,3.106,6,0.418,0.74,1.0,0.08983277362757865,0.06630799808100885,0.2222174628195463,0.2775769309848537,0.16398379137824687
EOS-3-07261,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nc1,HBTQFEYQUCBEPF-UHFFFAOYSA-N,3,1,0.411,46,346,434.822,3.41,5,0.414,0.73,1.0,0.8368514837913782,0.8241210335138098,0.522488177643753,0.5666421081488588,0.68752570077445
EOS-3-07262,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)nc2)n1,VAJVELGOQRWVKX-UHFFFAOYSA-N,3,1,0.263,98,342,433.439,2.501,6,0.412,0.74,0.997,0.08984134055239532,0.03981049962305531,0.07711089027482695,0.11533650880679872,0.08052480981426907
EOS-3-07263,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)c1,QMAANWXVJZQHMD-UHFFFAOYSA-N,3,1,0.295,25,581,433.439,2.501,6,0.412,0.74,1.0,0.04609862243848948,0.014366732917551915,0.05828935645260777,0.11995408128298266,0.059677198272907954
EOS-3-07264,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nn1,PRWMBMFATJKUDQ-UHFFFAOYSA-N,3,1,0.273,98,301,433.439,2.501,6,0.412,0.74,0.903,0.05746693167020766,0.03365944760468782,0.05829792337742444,0.11298060448221506,0.06560122678363375
EOS-3-07265,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cn1,FNKVKXAESMILDR-UHFFFAOYSA-N,3,1,0.31,39,972,451.429,2.64,6,0.398,0.74,1.0,0.1339952710575012,0.21129463367829485,0.11112158179699815,0.20078301692824344,0.1642986258652594
EOS-3-07266,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)c(F)c1,ZVHGUQNTNCMMCD-UHFFFAOYSA-N,3,1,0.292,98,765,439.418,2.369,6,0.411,0.71,1.0,0.018710163799602494,0.16687512850387226,0.22938797889109724,0.27454423959975327,0.1723793776985813
EOS-3-07267,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,TVNSZLGMVPZDKX-UHFFFAOYSA-N,3,1,0.423,89,408,465.477,2.51,6,0.385,0.8,1.0,0.3639229662120485,0.1472483037488863,0.10320574326639709,0.10603282845589747,0.18010246042080733
EOS-3-07268,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C)nc(-c5cnc(C)o5)c4)n23)cc1,QONPOYIYIAYIOZ-UHFFFAOYSA-N,3,1,0.535,89,398,455.478,3.397,5,0.414,0.77,1.0,0.422400795010623,0.16292577616338838,0.29842882598862314,0.12453738605989993,0.25207319580563364
EOS-3-07269,Cn1ncc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,OJFRSASSLPSVEJ-UHFFFAOYSA-N,3,1,0.373,61,341,470.924,3.799,6,0.419,0.81,1.0,0.252604345144267,0.27739702556370366,0.2984373929134398,0.39390720307038585,0.3055864916729491
EOS-3-07270,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ncccn4)cn3)n12,ATYBCRLPDAQSCB-UHFFFAOYSA-N,3,1,0.437,46,332,433.834,4.015,5,0.413,0.81,1.0,0.8438420944417792,0.8163936673291755,0.6960112398053595,0.732412103351381,0.7721647762319237
EOS-3-07271,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)o5)n4)n23)cn1,LSJSPXLDTSZVNC-UHFFFAOYSA-N,3,1,0.448,4,617,443.427,1.878,5,0.412,0.74,1.0,0.33633746830237815,0.14725687067370297,0.03284558974710438,0.010134672058118018,0.13164365019532587
EOS-3-07272,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cc1,YZUPRNGPIACULU-UHFFFAOYSA-N,3,1,0.451,89,731,470.468,3.111,5,0.385,0.82,0.999,0.5188558015214858,0.33739976697964497,0.3612158179699815,0.2419299568226989,0.3648503358234528
EOS-3-07273,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4O)n23)cc1,XICPBVFTLWRCGX-UHFFFAOYSA-N,3,1,0.327,61,917,427.428,1.714,5,0.442,0.8,1.0,0.2737046809677198,0.12222431635939963,0.13395243643341787,0.08607189363306147,0.1539883318483997
EOS-3-07275,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)nc1,IVWAJDXDKJMOQZ-UHFFFAOYSA-N,3,1,0.321,39,972,450.441,3.245,6,0.402,0.74,1.0,0.19228462751010897,0.2774055924885203,0.2365327941881982,0.31734459598382564,0.25589190254266325
EOS-3-07276,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)cc1,OFHKWURPJDVEIJ-UHFFFAOYSA-N,3,1,0.341,98,581,450.441,3.245,6,0.402,0.74,1.0,0.12560825166198342,0.24178431910081558,0.272436776094853,0.3717788362689329,0.2529020457816462
EOS-3-07277,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnn5)cn4)n23)cc1,VLRKRBRTSLFBGI-UHFFFAOYSA-N,3,1,0.407,14,886,422.452,2.527,5,0.446,0.75,1.0,0.13400383798231788,0.050724761839490096,0.20831334384209443,0.15737440888218765,0.13760408813652253
EOS-3-07278,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccn6C)cc5)n34)nc2)n1,ORIOPAJQHVMTFZ-UHFFFAOYSA-N,3,1,0.3,98,193,434.467,3.049,6,0.42,0.74,1.0,0.15620074018230415,0.09339661435131245,0.2255928311973134,0.2302789390720307,0.17636728120074016
EOS-3-07279,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1)N1CCCCC1,ZIJSDYAVKRYCNN-UHFFFAOYSA-N,3,1,0.355,52,821,462.517,3.936,6,0.399,0.82,0.993,0.02162291823726955,0.005465698033034062,0.004360564731683915,0.02729422246590364,0.014685850866972792
EOS-3-07280,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nc5)cn4)n23)cc1,XZIDCQCOTGWOCG-UHFFFAOYSA-N,3,1,0.489,89,943,456.441,2.721,5,0.387,0.75,1.0,0.7066856281269276,0.4231975190185731,0.41254026454663834,0.27758549790967035,0.4550022274004523
EOS-3-07281,CC(C)(O)c1ncc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)nc4)n23)cn1,YIEVLIHAUGHZLP-UHFFFAOYSA-N,3,1,0.31,85,60,459.901,2.905,5,0.421,0.73,1.0,0.2526129120690837,0.2518932903844836,0.215132615996162,0.14439551778493592,0.2160085840586663
EOS-3-07282,CCn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCC6)cn5)n34)nc2)cn1,QIWCEJOOJATFHQ-UHFFFAOYSA-N,3,1,0.293,52,821,451.494,2.978,6,0.404,0.74,0.995,0.023824617915153178,0.02092043040230279,0.005174422589267357,0.01157391542731821,0.015373346583510382
EOS-3-07283,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c1,GWQJUHNWJCNZRN-UHFFFAOYSA-N,3,1,0.337,61,917,415.392,1.887,5,0.474,0.82,1.0,0.19491467342882599,0.17084161469398945,0.22939654581591393,0.25065108628606675,0.21145098005619906
EOS-3-07284,Cn1nnnc1-c1cnnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,XFAQXOFFUMRPEP-UHFFFAOYSA-N,3,1,0.301,98,63,433.439,2.501,6,0.412,0.72,1.0,0.06624802960729216,0.050733328764306765,0.10856007127681447,0.16263450071962168,0.09704398259200878
EOS-3-07285,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C5CC5)nc4)n23)cc1,QUVQVDFPSPKYST-UHFFFAOYSA-N,3,1,0.386,63,334,411.469,2.942,6,0.524,0.87,1.0,0.1836834349941745,0.03981906654787198,0.012850387225001713,0.040967034473305464,0.06932998081008841
EOS-3-07286,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)cn1C,ADFKBLSDKCUSEQ-UHFFFAOYSA-N,3,1,0.329,98,882,448.494,3.358,6,0.407,0.76,1.0,0.12015112055376602,0.0872626961825783,0.19438352409019258,0.1419796449866356,0.13594424645329312
EOS-3-07287,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)nn1,HZXQCYPQQIPQEA-UHFFFAOYSA-N,3,1,0.287,98,373,436.443,1.839,6,0.406,0.71,1.0,0.0762199300938935,0.06978616955657597,0.05830649030224111,0.06786717839764238,0.06804494208758824
EOS-3-07288,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)ns4)n23)cc1,RTSJTZBRCHQJJX-UHFFFAOYSA-N,3,1,0.378,74,333,448.899,3.385,5,0.419,0.76,1.0,0.16431361798368857,0.21608354465081214,0.18083921595504077,0.19506031115070935,0.18907417243506272
EOS-3-07289,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4F)n23)cc1F,QIUJISNJBZCBKH-UHFFFAOYSA-N,3,1,0.361,83,472,441.441,4.763,5,0.436,0.86,1.0,0.38478342814063465,0.3762679048728668,0.8987389486669864,0.8919196765129189,0.6379274895483518
EOS-3-07290,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cnc(C)nc5)n4C)n23)nc1,XUQPUWAXQJGQFX-UHFFFAOYSA-N,3,1,0.272,33,432,427.432,1.107,5,0.446,0.67,0.985,0.055633609759440754,0.027705434857103695,0.01067438832156809,0.0033753683777671168,0.024347200328969913
EOS-3-07291,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cn2)nc1,QUFHZZGWPJSLQL-UHFFFAOYSA-N,3,1,0.289,94,165,430.435,3.162,6,0.415,0.75,0.989,0.12294393804399972,0.1258224247824001,0.2947107806181893,0.2835052429579878,0.20674559660064423
EOS-3-07292,c1cncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)c1,DPHZBPNVBPKASS-UHFFFAOYSA-N,3,1,0.287,42,106,430.435,3.162,6,0.415,0.75,1.0,0.17494517168117332,0.0902439860187787,0.3204372558426427,0.3457610856007128,0.23284687478582689
EOS-3-07293,Cc1nn(C)c(COc2cncc3nnc(-c4ccc(C(=O)NC5CCOC5)cn4)n23)c1Cl,WGWBHBBPSVGSOF-UHFFFAOYSA-N,3,1,0.394,63,108,468.905,1.979,5,0.456,0.74,1.0,0.20596600644232746,0.09025255294359537,0.01829895140840244,0.02623192378863683,0.08518735864574052
EOS-3-07294,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5)n4)n23)cc1,FGGORHFVXHHCPZ-UHFFFAOYSA-N,3,1,0.37,61,888,459.42,2.763,6,0.402,0.78,1.0,0.12295250496881639,0.23639572339113152,0.1585566445068878,0.2953447330546227,0.2033124014803646
EOS-3-07295,N#Cc1cnc(-c2ccnc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)cn1,RRPWSPJNKHEPKZ-UHFFFAOYSA-N,3,1,0.392,14,920,424.399,3.233,5,0.422,0.77,1.0,0.46411315194297853,0.5305410869714208,0.6465972174628195,0.6366167500514015,0.569467051607155
EOS-3-07296,COc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)cc1Br,UYOPMCLGALRVIA-UHFFFAOYSA-N,3,1,0.6,23,708,464.682,4.329,4,0.438,0.8,1.0,0.9184428757453225,0.9589986978274279,0.7473785210060997,0.7430436570488658,0.841965937906929
EOS-3-07297,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nc1,HKMRPAKSCMLVKT-UHFFFAOYSA-N,3,1,0.297,42,171,429.447,3.767,6,0.417,0.79,1.0,0.12015968747858269,0.14008635460215202,0.460026728805428,0.4507316153793434,0.29275109656637655
EOS-3-07298,Cc1cc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccn1,HUUQLBKRZKRGPR-UHFFFAOYSA-N,3,1,0.598,63,536,414.469,3.008,5,0.5,0.85,1.0,0.45026900143924337,0.13615413611130148,0.1585652114317045,0.14198821191145228,0.2217441402234254
EOS-3-07299,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cocn5)c4)n23)cn1,GHTHGUKPBQFJDE-UHFFFAOYSA-N,3,1,0.467,55,879,428.412,2.175,5,0.432,0.74,1.0,0.48634432184223153,0.21609211157562883,0.18084778287985745,0.09361935439654581,0.2442258926735659
EOS-3-07300,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)nn1,LDZCOLJUFXRAIC-UHFFFAOYSA-N,3,1,0.314,33,310,465.477,3.031,6,0.402,0.78,1.0,0.35720649715578096,0.1258309917072168,0.06833835926255911,0.061416284010691526,0.1531980330340621
EOS-3-07301,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,KBDJLSZCQSTBLQ-UHFFFAOYSA-N,3,1,0.295,10,748,436.414,3.03,6,0.414,0.74,0.999,0.003006990610650401,0.09340518127612912,0.24022513878418203,0.3877218833527517,0.18108979850592832
EOS-3-07302,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cnn(C)c6)cn5)n34)cc2)nn1,PGOSOAFYFDLBHL-UHFFFAOYSA-N,3,1,0.307,98,42,447.466,2.809,6,0.401,0.72,1.0,0.05396305942019053,0.03366801452950449,0.17121855938592284,0.14199677883626893,0.10021160304297169
EOS-3-07303,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)ccn1,LRKBHGAEPHHIQO-UHFFFAOYSA-N,3,1,0.512,16,446,436.838,3.353,5,0.417,0.77,1.0,0.6642793502844219,0.7795387567678707,0.5159087793845522,0.5698547049551093,0.6323953978479885
EOS-3-07304,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)n5)n34)c(Cl)c2)cn1,SZTVGAILXRNCFO-UHFFFAOYSA-N,3,1,0.449,16,815,436.838,3.353,5,0.417,0.77,1.0,0.5295216229182372,0.6641422794873553,0.6254283462408334,0.62466588993215,0.610939534644644
EOS-3-07305,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(F)nc5)n4)n23)cc1F,JHCSKLMHDBRMCP-UHFFFAOYSA-N,3,1,0.337,74,413,445.393,2.343,5,0.418,0.69,0.998,0.2550116510177507,0.24179288602563223,0.3986875471180865,0.3843550818998012,0.3199617915153177
EOS-3-07306,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1,YAIOMMZRIOARDV-UHFFFAOYSA-N,3,1,0.311,70,723,432.451,3.106,6,0.418,0.72,1.0,0.115045233363032,0.050741895689123434,0.23654136111301488,0.24772119799876635,0.16251242204098415
EOS-3-07307,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2)no1,AZCRRPVLQGCKFY-UHFFFAOYSA-N,3,1,0.457,89,398,469.465,2.411,6,0.377,0.83,1.0,0.3263227331916935,0.12583955863203344,0.02004660407100267,0.019027140017819202,0.12280900897813721
EOS-3-07308,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)cn1,CAJHEHBIZBNGOS-UHFFFAOYSA-N,3,1,0.308,98,642,434.467,3.049,6,0.42,0.72,1.0,0.0432458364745391,0.04328010417380577,0.29471934754300594,0.2596549242683846,0.16022505311493385
EOS-3-07309,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4F)n23)cc1F,BKEONNPQZKYBAJ-UHFFFAOYSA-N,3,1,0.478,90,555,462.819,3.586,4,0.44,0.74,1.0,0.8294068261256939,0.6934839969844425,0.8398841751764786,0.7898533342471387,0.7881570831334385
EOS-3-07310,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cc1,FLKAKOXETFMHSZ-UHFFFAOYSA-N,3,1,0.347,25,508,422.412,2.699,6,0.421,0.79,1.0,0.18643341786032486,0.09026111986841204,0.15534404770063737,0.18433452128024125,0.15409327667740386
EOS-3-07311,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1)N1CCCCC1,BTBYEXOLNDRREF-UHFFFAOYSA-N,3,1,0.355,52,376,461.529,4.541,6,0.39,0.89,1.0,0.049199849222123226,0.010083270509218012,0.010682955246384757,0.06968336645877596,0.03491236035912549
EOS-3-07312,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5Cl)cc4)n23)cn1,OWOLQTZXJLSGEE-UHFFFAOYSA-N,3,1,0.356,96,204,459.872,4.067,5,0.407,0.84,1.0,0.29839455828935646,0.36170413268453155,0.6960198067301762,0.6942892879172092,0.5126019464053183
EOS-3-07313,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4OC)n23)cc1F,NFORDFJYWGHQBT-UHFFFAOYSA-N,3,1,0.333,96,648,473.443,3.562,5,0.416,0.81,1.0,0.6086800082242478,0.4763210198067302,0.6633798231786718,0.5268401754506202,0.5688052566650675
EOS-3-07314,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)n1,ASYKPHNJRXFFBS-UHFFFAOYSA-N,3,1,0.317,3,158,425.387,3.228,6,0.423,0.77,1.0,0.13153656363511754,0.27234253992186963,0.28761736686998834,0.3910801178808855,0.27064414707696527
EOS-3-07315,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)c1,JHNHZTZMQNPKDU-UHFFFAOYSA-N,3,1,0.312,98,213,423.4,2.094,6,0.414,0.78,1.0,0.14765951614008635,0.09341374820094579,0.06030258378452471,0.08091460489342746,0.09557261325474607
EOS-3-07316,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(Cl)c4)n23)nc1,CWWFLUDQZHLHKX-UHFFFAOYSA-N,3,1,0.426,90,505,410.84,3.124,4,0.546,0.88,0.992,0.3034062093071071,0.282597148927421,0.5463470632581728,0.5470838187924063,0.4198585600712768
EOS-3-07317,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)s2)n(C)n1,SHUVCUZRAKNBOI-UHFFFAOYSA-N,3,1,0.34,52,423,455.547,4.121,6,0.431,0.82,1.0,0.08984990747721198,0.06229867726680831,0.10321431019121376,0.11534507573161538,0.09267699266671237
EOS-3-07318,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cn1,WVBOZYKXGCZSPI-UHFFFAOYSA-N,3,1,0.316,25,213,432.451,3.106,6,0.418,0.75,1.0,0.08059762867521075,0.09342231512576246,0.2256013981221301,0.28634089507230487,0.17149055924885204
EOS-3-07319,Fc1ccc(-c2noc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)n2)cc1,WXTHJDKUBVAZHM-UHFFFAOYSA-N,3,1,0.364,64,365,436.41,4.104,6,0.406,0.84,1.0,0.29014460969090533,0.3762764717976835,0.28015557535467067,0.4159841683229388,0.34064020629154956
EOS-3-07321,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cn1,MLWADADMKJTVCA-UHFFFAOYSA-N,3,1,0.293,70,957,431.463,3.711,6,0.419,0.79,0.999,0.07834452744842711,0.025366664382153382,0.357540607223631,0.3490507847303132,0.2025756459461312
EOS-3-07322,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cncc(F)c5)nc4)n23)nc1,USSPCCLNAHJBCU-UHFFFAOYSA-N,3,1,0.287,86,780,452.417,2.035,6,0.39,0.72,1.0,0.24186998834898224,0.2672195188815023,0.09818552532382976,0.1397950791583853,0.1867675279281749
EOS-3-07323,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nn1,JQUFGBLXOCNUJK-UHFFFAOYSA-N,3,1,0.548,15,300,430.859,3.313,5,0.404,0.73,1.0,0.8883387019395518,0.8831471455006511,0.2801641422794874,0.3173531629086423,0.5922507881570832
EOS-3-07324,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1,BXLJNLNWJAQGHG-UHFFFAOYSA-N,3,1,0.321,74,295,453.441,2.895,6,0.403,0.73,1.0,0.1615636351175382,0.10627270235076416,0.2151411829209787,0.277594064834487,0.19014289630594203
EOS-3-07325,Cc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1,JDOIJCMCCSGRFL-UHFFFAOYSA-N,3,1,0.318,52,802,465.492,4.255,6,0.417,0.85,1.0,0.16432218490850525,0.20628298266054418,0.40213145089438695,0.44776745939277635,0.30512601946405316
EOS-3-07326,N#Cc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cn4)n23)c1,BKVMZAZELCGIOF-UHFFFAOYSA-N,3,1,0.424,46,665,442.389,3.372,5,0.407,0.77,1.0,0.8919282434377356,0.7961328901377561,0.7945480090466726,0.7733877047495031,0.8139992118429169
EOS-3-07327,Cn1ncnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)n1,MEFKGVSXBNEYIZ-UHFFFAOYSA-N,3,1,0.277,86,114,433.439,2.501,6,0.412,0.73,0.902,0.04177232540607224,0.007873003906517717,0.0457216777465561,0.06142485093550819,0.03919796449866356
EOS-3-07328,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)cc1,BDYYQJWNDXYDKB-UHFFFAOYSA-N,3,1,0.298,94,871,436.414,3.03,6,0.414,0.72,0.839,0.00977486121581797,0.11550784730313207,0.3685919402371325,0.435191213761908,0.23226646562949765
EOS-3-07329,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nn2)cn1,IZYKWDAMTVWLLN-UHFFFAOYSA-N,3,1,0.333,98,882,435.455,2.444,6,0.414,0.71,1.0,0.050690494140223426,0.02537523130697005,0.1493814680282366,0.13300150777876774,0.08961217531354945
EOS-3-07330,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,LOEHZMYHOWCCMU-UHFFFAOYSA-N,3,1,0.319,98,882,435.455,2.444,6,0.414,0.71,1.0,0.07231341237749297,0.04328867109862244,0.10322287711603043,0.1017922006716469,0.08015429031594819
EOS-3-07331,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cc4F)n23)cn1,HGIXRSXJXYQADP-UHFFFAOYSA-N,3,1,0.341,50,974,431.395,0.937,5,0.44,0.66,0.999,0.17794359536700705,0.21610067850044548,0.03037831539990405,0.024501404975669935,0.11223099856075663
EOS-3-07332,Cn1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cn5)n34)cn2)cn1,OKKPDAYRNIYDJB-UHFFFAOYSA-N,3,1,0.301,86,459,451.429,2.64,6,0.398,0.73,1.0,0.14766808306490303,0.2113032006031115,0.19077684874237544,0.18980878623809197,0.18488922966212049
EOS-3-07333,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccn5)n4)n23)cc1,QNLIVLJRTQSNGB-UHFFFAOYSA-N,3,1,0.319,38,865,432.451,3.106,6,0.418,0.73,1.0,0.08480398876019464,0.08727126310739497,0.14939003495305325,0.1843430882050579,0.1264520937564252
EOS-3-07334,CNC(=O)c1ccc(-c2nnc3cncc(-c4csc(-c5ccc(Cl)nc5)n4)n23)cn1,OXJIAHJZUDLQOE-UHFFFAOYSA-N,3,1,0.369,82,204,448.899,3.385,5,0.419,0.75,0.994,0.1476766499897197,0.25190185730930026,0.1712271263107395,0.1789116578712905,0.18742932287026248
EOS-3-07335,Cc1ncc(-c2cncc(-c3nnc4cncc(COc5ccncc5Cl)n34)c2)cn1,MRCRCSJWGUEZOZ-UHFFFAOYSA-N,3,1,0.365,2,419,430.859,3.579,5,0.416,0.8,1.0,0.4665204578164622,0.4454543896922761,0.5394164210814886,0.49695017476526626,0.48708536083887327
EOS-3-07336,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(OC(F)F)nc5)cn4)n23)cn1,QJSVYORDTSCNQF-UHFFFAOYSA-N,3,1,0.345,82,204,474.431,3.271,5,0.398,0.86,1.0,0.6060499623055308,0.5034867384003838,0.6016294291001302,0.4665461585909122,0.5444280720992392
EOS-3-07337,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)cn4)n23)nc1,SKHQXRKPTIFXBR-UHFFFAOYSA-N,3,1,0.411,33,53,442.443,1.315,5,0.412,0.72,0.999,0.2659516140086355,0.1030429716948804,0.07919265300527722,0.0262404907134535,0.11860693235556166
EOS-3-07338,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnc5)cn4)n23)cc1,KXAZBRLNHXNPOG-UHFFFAOYSA-N,3,1,0.432,14,886,421.464,3.132,5,0.451,0.78,1.0,0.14768521691453637,0.06230724419162498,0.342171544102529,0.28351380988280445,0.2089194537728737
EOS-3-07339,FC(F)(F)c1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)ccn1,KJUDMBGFHUMQEV-UHFFFAOYSA-N,3,1,0.391,68,455,426.284,3.0,4,0.465,0.67,1.0,0.32895277911041054,0.4093619354396546,0.9613888698512781,0.8661332328147489,0.641459204304023
EOS-3-07340,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)cc1,HDRFWJOYBSLLMH-UHFFFAOYSA-N,3,1,0.333,3,150,453.897,4.093,6,0.399,0.82,1.0,0.023833184839969844,0.17545062024535674,0.512327804811185,0.5854893427455281,0.32427523816050996
EOS-3-07341,Fc1cc(-c2nnc3cncc(OCc4ncnc(-c5cccnc5)n4)n23)ccc1Cl,STOKJISYHCUROQ-UHFFFAOYSA-N,3,1,0.512,73,756,434.822,3.41,5,0.414,0.75,1.0,0.9223665273113563,0.9468422315125763,0.5159173463093688,0.5794496607497772,0.7411439414707697
EOS-3-07342,Cc1ncc(-c2nc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccc2Cl)o1,RCVBVKKFBMNXPY-UHFFFAOYSA-N,3,1,0.423,14,357,445.87,3.493,5,0.438,0.7,1.0,0.27122883969570283,0.2826057158522377,0.31287266122952506,0.27760263175930366,0.2860774621341923
EOS-3-07343,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)ccn5)ns4)n23)cc1F,HYVIQTPYJAMOHT-UHFFFAOYSA-N,3,1,0.337,74,768,450.434,3.01,5,0.448,0.66,1.0,0.16966794599410595,0.23640429031594817,0.26165101775066824,0.2953532999794394,0.24076913851004042
EOS-3-07344,O=C1COCCN1C(=O)c1ccc(-c2nnc3cncc(COc4cccc(F)c4F)n23)cc1,SMYTWEJQWUISCK-UHFFFAOYSA-N,3,1,0.46,0,751,465.416,2.648,5,0.418,0.77,1.0,0.41316565005825506,0.22132650263861284,0.1493986018778699,0.2506596532108834,0.2586376019464053
EOS-3-07345,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1)N1CCOCC1,VKRWTMUMKACMOT-UHFFFAOYSA-N,3,1,0.468,21,366,461.525,4.598,6,0.391,0.9,1.0,0.08273079295456102,0.0031012267836337468,0.12538551161675004,0.30494825577410734,0.12904144678226304
EOS-3-07346,COc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nn5)c4)n23)cc1,LKKMCPDZNPTGAU-UHFFFAOYSA-N,3,1,0.548,72,805,445.87,3.884,5,0.388,0.8,1.0,0.8414347885682956,0.7711003358234528,0.6016379960249468,0.5204149818381194,0.6836470255637036
EOS-3-07347,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cncnc4-c4ccccc4)n23)cn1,LGUSSZPTYQUIHE-UHFFFAOYSA-N,3,1,0.304,94,522,432.451,3.106,6,0.418,0.77,0.994,0.1588479199506545,0.04710951956685628,0.15857377835652114,0.19787026249057638,0.14060037009115206
EOS-3-07348,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)c1,WIGKLQVKOULGHB-UHFFFAOYSA-N,3,1,0.714,91,876,430.418,4.148,5,0.403,0.82,1.0,0.9688078267425125,0.9633849633335618,0.807149955451991,0.8032263038859571,0.8856422623535056
EOS-3-07349,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,JSCHNKANUGYHCG-UHFFFAOYSA-N,3,1,0.324,98,882,434.467,3.049,6,0.42,0.73,1.0,0.0741981358371599,0.04711808649167295,0.23310602426153107,0.20079158385306012,0.138803457610856
EOS-3-07350,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)cc(Cl)n5)no4)n23)cc1,IDUSWTSHQSZJIS-UHFFFAOYSA-N,3,1,0.404,74,837,436.794,2.795,5,0.424,0.74,1.0,0.25262147899390036,0.28261428277705436,0.28017270920430404,0.33633746830237815,0.2879364848194092
EOS-3-07351,Cc1n[nH]c(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,RFMNUJMKMSYPTC-UHFFFAOYSA-N,3,1,0.315,62,302,436.479,3.444,6,0.436,0.8,1.0,0.16967651291892263,0.058520663422657805,0.1494071688026866,0.1789202247961072,0.13913114248509356
EOS-3-07353,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cc4)n23)nc1,WXTYDMIJKQXEBZ-UHFFFAOYSA-N,3,1,0.317,38,213,450.441,3.245,6,0.402,0.73,1.0,0.26324446576656846,0.3081694195051744,0.3314029196079775,0.40303954492495375,0.3264640874511685
EOS-3-07354,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(F)c5)n4)n23)cc1,ITINZDUOZUDVBE-UHFFFAOYSA-N,3,1,0.438,89,731,456.441,2.721,5,0.387,0.74,1.0,0.597405935165513,0.3571722294565143,0.4164125145637722,0.2863494619971215,0.41433503529573024
EOS-3-07356,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5cc(F)cc(Cl)c5)n4)n23)cc1,QFZXUBYEFLZZLN-UHFFFAOYSA-N,3,1,0.357,61,316,460.86,3.462,5,0.437,0.71,1.0,0.25768453156055104,0.3081779864299911,0.5259749160441368,0.5570642862038243,0.41222543005962575
EOS-3-07357,CC1(F)CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)C1,VJUVSHBVXWFJJV-UHFFFAOYSA-N,3,1,0.349,63,169,446.446,1.921,5,0.506,0.68,0.908,0.05922315125762456,0.0840415324515112,0.006519429785484202,0.013398670413268454,0.0407956959769721
EOS-3-07358,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOC(C)(F)C5)cc4)n23)nc1,WWZBBRHNVKCPCH-UHFFFAOYSA-N,3,1,0.333,0,782,475.484,2.371,5,0.482,0.75,1.0,0.09212870947844562,0.0544770749091906,0.07496059214584333,0.0735556164759098,0.07378049825234734
EOS-3-07359,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncon5)c4)n23)cc1,ZVBMUVQNCGDSFW-UHFFFAOYSA-N,3,1,0.529,89,656,428.412,2.175,5,0.432,0.73,1.0,0.5716537591666095,0.19697930230964292,0.22560996504694675,0.11535364265643205,0.2773991672949078
EOS-3-07360,Fc1cc(COc2cncc3nnc(-c4ccccn4)n23)cc(-c2ccc(Cl)nn2)c1,VBOVSOLXWUZKLV-UHFFFAOYSA-N,3,1,0.472,54,348,433.834,4.015,5,0.413,0.77,1.0,0.6486618463436364,0.6209307107120828,0.7086645877595779,0.745536632170516,0.6809484442464533
EOS-3-07361,COc1cc(-c2nn(C)cc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccn1,UJVQXNHVPLOCLS-UHFFFAOYSA-N,3,1,0.327,52,582,466.505,3.155,6,0.409,0.8,1.0,0.14478959632650265,0.05852923034747447,0.13720786786375164,0.11039339318758139,0.11273002193132754
EOS-3-07362,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ncc(F)cc5C)n4)n23)nc1,GFEQRFNJQIQLBE-UHFFFAOYSA-N,3,1,0.298,33,432,442.418,1.907,5,0.442,0.65,0.911,0.2116544445205949,0.16293434308820506,0.05831505722705777,0.0422349393461723,0.11878469604550751
EOS-3-07363,Cn1cc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cn5)n34)cn2)cn1,IZTYLXNHHVDRRA-UHFFFAOYSA-N,3,1,0.242,86,953,439.418,2.369,6,0.411,0.73,1.0,0.004831745596600644,0.07700808717702694,0.17784935919402373,0.20980398876019465,0.11737329518196149
EOS-3-07364,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)nc4)n23)cn1,IWZAMGAETNEKAQ-UHFFFAOYSA-N,3,1,0.489,92,728,443.431,0.71,5,0.397,0.77,1.0,0.3263313001165102,0.14726543759851962,0.018307518333219107,0.006390925913234186,0.12457379549037077
EOS-3-07365,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)cc2)nn1,GONMMXNWSPLMSM-UHFFFAOYSA-N,3,1,0.323,9,220,443.474,4.076,6,0.401,0.8,1.0,0.10696662326091426,0.08727983003221164,0.327624905763827,0.3685405386882325,0.22260297443629634
EOS-3-07366,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)c1,MCFUCMDOGLNKHN-UHFFFAOYSA-N,3,1,0.282,64,27,445.49,4.019,6,0.404,0.82,1.0,0.05923171818244123,0.014375299842368584,0.2544719347543006,0.2804811184977041,0.1521400178192036
EOS-3-07367,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5noc(C)n5)nc4)n23)cn1,TYBIXVASZUTLIW-UHFFFAOYSA-N,3,1,0.517,7,205,443.427,1.878,5,0.412,0.75,1.0,0.3915341648961689,0.19239599753272565,0.045730244671372766,0.014957850729901995,0.1611545644575423
EOS-3-07368,CC(C)(O)c1ncc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cc1F,RBUDHNLZDHBLIC-UHFFFAOYSA-N,3,1,0.321,82,856,445.433,3.816,5,0.449,0.74,1.0,0.44315845384140906,0.47169488040572954,0.7520903296552669,0.627527242820917,0.5736177266808306
EOS-3-07369,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncs5)c4)n23)cc1,LFSDUNBDKUZQDP-UHFFFAOYSA-N,3,1,0.478,89,656,469.53,3.781,6,0.386,0.87,1.0,0.3779470221369337,0.16294291001302172,0.19439209101500926,0.19261873757795903,0.2319751901857309
EOS-3-07370,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cscc5F)c4)n23)cn1,SASLRQADDLQODU-UHFFFAOYSA-N,3,1,0.406,14,290,444.495,4.004,5,0.443,0.75,1.0,0.22236310054142966,0.27741415941333697,0.5193184154615859,0.4756785004454801,0.3736935439654582
EOS-3-07371,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nn2)cc1,TTZDPUFEWULFHD-UHFFFAOYSA-N,3,1,0.343,10,37,435.426,3.635,6,0.417,0.77,0.999,0.005722705777534096,0.09658351038311287,0.46003529573024465,0.5370262490576383,0.2748419402371325
EOS-3-07372,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5csnn5)c4)n23)cc1F,IROXBMGDVIVLRV-UHFFFAOYSA-N,3,1,0.495,43,909,461.482,3.388,5,0.413,0.8,1.0,0.5114111438558016,0.3903090946473854,0.5123363717360017,0.4159927352477555,0.457512336371736
EOS-3-07373,Fc1cncc(CCOc2cncc3nnc(-c4ccc(Oc5ccncc5)cc4)n23)n1,LTTHCSBZUWDNRP-UHFFFAOYSA-N,3,1,0.552,35,846,429.415,3.529,5,0.387,0.81,1.0,0.8709307107120828,0.8831557124254678,0.4980296072921664,0.4570968405181276,0.6773032177369611
EOS-3-07374,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc(C)s5)n4)n23)c(Cl)c1,XZLVDAIPPSSXJR-UHFFFAOYSA-N,3,1,0.379,74,423,462.926,3.693,5,0.433,0.73,1.0,0.17222945651428964,0.2519104242341169,0.14941573572750325,0.1573829758070043,0.18273464807072853
EOS-3-07375,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncn(-c5cnc(C)nc5)n4)n23)cc1,YHXBLQXIEIXCCH-UHFFFAOYSA-N,3,1,0.439,89,943,442.443,1.409,5,0.413,0.73,1.0,0.30073332876430675,0.14356452607771913,0.05832362415187444,0.017339455828935646,0.129990233705709
EOS-3-07376,CCc1nc(-c2cncn2C)cc(-c2cncc3nnc(-c4ccc(C(=O)NC)cn4)n23)n1,ONUYFRUYEYRIBW-UHFFFAOYSA-N,3,1,0.279,33,432,440.471,1.966,5,0.439,0.66,0.944,0.07420670276197656,0.011017065314234803,0.03156055102460421,0.011034199163868138,0.03195462956617093
EOS-3-07377,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(C#N)cc5)cc4)n23)nc1,FVJOVOHVFIOLKN-UHFFFAOYSA-N,3,1,0.403,25,791,456.473,3.582,6,0.394,0.78,1.0,0.1977331916935097,0.25191899115893357,0.47734905078473033,0.5404530189843054,0.3668635631553697
EOS-3-07378,Fc1cccc(-c2ncnc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)n2)c1,JFRAQIPOGUXXCC-UHFFFAOYSA-N,3,1,0.357,30,748,448.425,3.301,6,0.4,0.74,1.0,0.18369200191899115,0.3031663354122404,0.17785792611884038,0.30810945103145776,0.24320642862038244
EOS-3-07379,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)o5)n4)n23)nc1,HPRXERMAVXGSAM-UHFFFAOYSA-N,3,1,0.402,33,53,443.427,1.878,5,0.412,0.72,0.998,0.2846446439586046,0.0805290932766774,0.03813138235898842,0.011993694743334933,0.10382470358440135
EOS-3-07380,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnnc6)nc5)n34)cc2)nc1,WTQLCGAFDZXQTK-UHFFFAOYSA-N,3,1,0.3,42,106,447.437,3.906,6,0.4,0.79,1.0,0.3385991364539785,0.3521691453635803,0.5695976972106093,0.6034798848605305,0.46596146597217464
EOS-3-07381,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cn3)n12,ZMYCQIIOQWJFSL-UHFFFAOYSA-N,3,1,0.273,94,934,433.439,2.501,6,0.412,0.77,0.994,0.03582687958330478,0.025383798231786717,0.0792012199300939,0.11536220958124871,0.06394352683160853
EOS-3-07382,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cc1,FBLFGCKSYSKSCG-UHFFFAOYSA-N,3,1,0.341,64,27,449.453,3.85,6,0.403,0.8,1.0,0.19492324035364267,0.2567250359810842,0.380157288739634,0.4696045507504626,0.32535252895620587
EOS-3-07383,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4)n23)c(F)c1,NREGOCMQCKPXKO-UHFFFAOYSA-N,3,1,0.483,62,451,457.469,3.791,5,0.431,0.77,1.0,0.7033959289973272,0.5305496538962374,0.4844852991570146,0.33301350147351105,0.5128610958810226
EOS-3-07384,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnn(-c4ccc(F)cc4)c3)n12,JYADJCTYXJWSGP-UHFFFAOYSA-N,3,1,0.358,52,246,469.48,3.684,6,0.407,0.81,0.995,0.11773524775546569,0.2723511068466863,0.39869611404290317,0.41600130217257214,0.3011959427044068
EOS-3-07385,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,NNLUXZSYOZKMLI-UHFFFAOYSA-N,3,1,0.299,70,723,432.451,3.106,6,0.418,0.74,0.982,0.08060619560002741,0.04329723802343911,0.2256185319717634,0.23028750599684736,0.14495236789801932
EOS-3-07386,Cn1ncnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,NOGZAVRQWTVIBP-UHFFFAOYSA-N,3,1,0.299,98,725,432.451,3.106,6,0.418,0.74,1.0,0.08985847440202865,0.02771400178192036,0.2801812761291207,0.2894678226303886,0.17180539373586456
EOS-3-07387,OCc1nccc(-c2ccc(F)c(Cc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,POCPOIYRUUETFG-UHFFFAOYSA-N,3,1,0.373,14,358,446.873,4.124,5,0.436,0.76,1.0,0.5013278733465835,0.7623449386608183,0.8171218559385923,0.8530087039956137,0.733450842985402
EOS-3-07388,C#Cc1cc(COc2ccccc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ccn1,URNCTKBROBLVAA-UHFFFAOYSA-N,3,1,0.382,62,3,446.47,3.513,5,0.4,0.82,0.986,0.3338530601055445,0.1754591871701734,0.6904770063737921,0.5340192584469878,0.4334521280241244
EOS-3-07389,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)cn2)n1,IZMHIYOVJZVHEV-UHFFFAOYSA-N,3,1,0.333,94,615,451.429,2.64,6,0.398,0.74,0.997,0.18370056884380784,0.2567336029059009,0.17123569323555615,0.24772976492358303,0.214849907477212
EOS-3-07390,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)n1,UVXFDBRZCVILRM-UHFFFAOYSA-N,3,1,0.277,70,957,433.439,2.501,6,0.412,0.74,1.0,0.0609965046946748,0.039827633472688646,0.11990267973408265,0.13980364608320198,0.09013261599616201
EOS-3-07391,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)ncn4)n23)cc1F,HNHAWMXAWSDERB-UHFFFAOYSA-N,3,1,0.449,89,463,461.417,2.017,5,0.398,0.74,1.0,0.42943424028510724,0.3232729079569598,0.13104824892056746,0.07549174148447674,0.23981178466177783
EOS-3-07392,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ncc(C(F)(F)F)cn5)n34)cn2)s1,WACSOXSIGDVVEO-UHFFFAOYSA-N,3,1,0.35,50,243,441.402,3.489,5,0.419,0.73,0.55,0.1722380234391063,0.35718079638133093,0.5855150435199781,0.4969587416900829,0.40297315125762456
EOS-3-07393,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ccnnc5)cn4)n23)nc1,PJXXCPHHAYXHAO-UHFFFAOYSA-N,3,1,0.314,33,647,463.505,2.716,6,0.391,0.8,1.0,0.09944486327187993,0.043305804948255776,0.06031115070934138,0.08608046055787814,0.0722855698718388
EOS-3-07394,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)nn1,DUHGZXJHGHIJEE-UHFFFAOYSA-N,3,1,0.529,4,32,435.81,2.805,5,0.41,0.69,1.0,0.8393016242889453,0.9405369748475088,0.3240096634911932,0.41910252895620587,0.6307376978959633
EOS-3-07395,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)cn1,KDNFSXYLZBQXQO-UHFFFAOYSA-N,3,1,0.337,94,615,450.441,3.245,6,0.402,0.76,0.875,0.20059454458227674,0.26204509629223494,0.29844595983825645,0.35866287437461447,0.2799371187718457
EOS-3-07396,Cn1nnc(-c2cc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)ccc2F)n1,AZTSXVDVORLDAS-UHFFFAOYSA-N,3,1,0.351,22,252,424.802,3.58,5,0.44,0.79,1.0,0.24187855527379892,0.4322698923994243,0.7086731546843945,0.8261942293194435,0.5522539579192653
EOS-3-07397,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)cc1F,FGWOROMTPVVAJV-UHFFFAOYSA-N,3,1,0.345,96,648,460.419,4.297,5,0.405,0.84,1.0,0.3617898019326982,0.44546295661709273,0.9217839764238229,0.9035107257898705,0.658136865190871
EOS-3-07398,CCCOc1ncccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,PKVXEXXGOFUPKR-UHFFFAOYSA-N,3,1,0.337,63,66,415.457,2.929,5,0.494,0.85,1.0,0.19774175861832635,0.06631656500582551,0.021794256733602906,0.022025563703652936,0.07696953601535193
EOS-3-07399,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)cc1,XZTHLFHHPXFHKC-UHFFFAOYSA-N,3,1,0.338,25,508,453.445,2.583,6,0.4,0.71,1.0,0.24435439654581592,0.3278904804331437,0.1977845932424097,0.2477383318483997,0.2544419505174423
EOS-3-07400,CONC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4OC)n23)cc1,UHHKUCHIHOBEEO-UHFFFAOYSA-N,3,1,0.378,61,917,457.454,1.949,5,0.38,0.8,1.0,0.2684874237543691,0.05448564183400727,0.18424885203207456,0.08438420944417792,0.14790153176615722
EOS-3-07401,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5nnc(F)s5)cn4)n23)cn1,UBGLMVOHPSYTPH-UHFFFAOYSA-N,3,1,0.311,82,523,459.47,2.798,6,0.426,0.73,0.979,0.12016825440339936,0.12584812555685013,0.03285415667192105,0.05993420601740799,0.08470118566239464
EOS-3-07402,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ccn2)nc1,XYMNVQKZGDGFEX-UHFFFAOYSA-N,3,1,0.443,24,199,434.822,3.41,5,0.387,0.78,1.0,0.7399509971900486,0.7175142210951957,0.4705897471043794,0.5171595504077856,0.6113036289493523
EOS-3-07403,COc1cc(-c2nnnn2C)ccc1-c1nnc2cncc(-c3ccc(Cl)cc3)n12,FOKUMXVUOUGLPW-UHFFFAOYSA-N,3,1,0.373,61,917,418.848,3.311,5,0.441,0.86,1.0,0.32633986704132684,0.4543382907271606,0.38403810568158453,0.44777602631759306,0.40312307244191625
EOS-3-07404,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)cc6)nn5)n34)cc2)nn1,JNYLEYPFPUSLCU-UHFFFAOYSA-N,3,1,0.346,3,39,438.43,2.974,6,0.417,0.73,1.0,0.024878349667603317,0.17546775409499007,0.3877218833527517,0.4412994311561922,0.25734185456788433
EOS-3-07405,Cc1nc(Cn2ncnc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,OSAUEPCNBGJQPQ-UHFFFAOYSA-N,3,1,0.333,52,295,469.484,2.833,6,0.407,0.78,1.0,0.15348502501542047,0.1708501816188061,0.06031971763415804,0.09755157288739634,0.12055162428894524
EOS-3-07406,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)cc1F,GWLDNGPYAYQABB-UHFFFAOYSA-N,3,1,0.333,50,542,442.34,2.597,5,0.392,0.77,1.0,0.2198187238708793,0.42320608594338976,0.7660629840312522,0.7268607360701802,0.5339871324789254
EOS-3-07407,Cc1nc(C(F)(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4(C)CC4)cn3)n12,MTEPCBJYJVTCDI-UHFFFAOYSA-N,3,1,0.301,63,108,453.428,3.858,5,0.504,0.73,0.993,0.23349153587828114,0.3031749023370571,0.5123449386608183,0.4477845932424097,0.3741989925296416
EOS-3-07408,Clc1ncc(Cc2cncc3nnc(-c4ccc(Cl)c(-c5cccnn5)c4)n23)nn1,QBHUWJRTNLJKGE-UHFFFAOYSA-N,3,1,0.333,85,487,436.266,3.331,5,0.422,0.72,1.0,0.35029298882873006,0.4674371187718457,0.36860050716194914,0.547092385717223,0.43335575011993693
EOS-3-07409,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cc2)n1C,STPRDLFDLAVBHU-UHFFFAOYSA-N,3,1,0.318,98,39,452.457,3.282,6,0.404,0.75,1.0,0.019652525529435954,0.1969878692344596,0.19779316016722637,0.26276471797683504,0.16929956822698922
EOS-3-07410,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)nc1,KKNNBUJSEGAQPD-UHFFFAOYSA-N,3,1,0.279,98,880,434.427,1.896,6,0.404,0.72,1.0,0.08986704132684531,0.036580768967171544,0.02600918374340347,0.05016791172640669,0.050656226440956756
EOS-3-07411,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cocn5)cn4)n23)c(F)c1,VOJDXQBXGVDNHD-UHFFFAOYSA-N,3,1,0.479,51,946,432.375,2.053,5,0.426,0.75,1.0,0.5448649852648894,0.3762850387225002,0.27652319923240354,0.20080015077787677,0.34961834349941745
EOS-3-07412,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nn2)nn1C,MGVWDBUONFWBNP-UHFFFAOYSA-N,3,1,0.32,33,647,466.509,2.168,6,0.403,0.73,1.0,0.03583544650812145,0.03983620039750531,0.013972654375985197,0.012833253375368378,0.025619388664245082
EOS-3-07413,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccn5)ccn4)n23)cc1,OBMKVEPKNQCUDI-UHFFFAOYSA-N,3,1,0.516,89,731,455.453,3.326,5,0.418,0.72,1.0,0.617264066890549,0.40937050236447126,0.5662480296072921,0.4351997806867247,0.5070205948872593
EOS-3-07414,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nn5)s4)n23)cc1,BDFKEABXZOKVDE-UHFFFAOYSA-N,3,1,0.406,14,740,431.456,3.139,5,0.458,0.67,1.0,0.2390857377835652,0.18808683434994175,0.33866767185251184,0.2984973613871565,0.2660844013432938
EOS-3-07415,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CCOC6)cc5)n34)nc2)cn1,AAAMVJGGFFOUQX-UHFFFAOYSA-N,3,1,0.309,52,582,466.505,2.773,6,0.424,0.76,1.0,0.061005071619491466,0.004129257761633884,0.18744431498869166,0.17051607155095608,0.10577367898019327
EOS-3-07416,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,MTMRFORRQKKYDQ-UHFFFAOYSA-N,3,1,0.295,70,899,433.439,2.501,6,0.412,0.72,1.0,0.07232197930230964,0.05853779727229114,0.11712699609348229,0.14694846138030293,0.09873380851209651
EOS-3-07417,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)nc1,CJQGTRXJGGZLMM-UHFFFAOYSA-N,3,1,0.495,4,677,444.43,2.404,5,0.426,0.69,1.0,0.42715543828387365,0.3278990473579604,0.4350027414159413,0.304956822698924,0.37375351243917476
EOS-3-07418,Cc1cnc(-c2cccc(-c3nnc4cncc(COc5cnnc(Cl)c5)n34)c2)cn1,AJVMXNDFFLXILQ-UHFFFAOYSA-N,3,1,0.356,85,351,430.859,3.579,5,0.416,0.78,1.0,0.40219141936810365,0.4188026865876225,0.4388749914330752,0.42546775409499005,0.42133421287094786
EOS-3-07419,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cc2)nn1,CRKYGXVLKVPSMW-UHFFFAOYSA-N,3,1,0.33,98,866,436.443,1.839,6,0.406,0.71,1.0,0.0970289904735796,0.0770166541018436,0.06032828455897471,0.06787574532245905,0.07556241861421424
EOS-3-07420,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)nc5)nc4)n23)cc1,QSQOAQDLUKNKJU-UHFFFAOYSA-N,3,1,0.494,89,863,473.884,2.63,5,0.369,0.84,1.0,0.8244637105064766,0.5776163388390103,0.2579586731546844,0.16523027893907202,0.45631725035981086
EOS-3-07421,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)c(F)c1,IRPPLAVEFKAGRB-UHFFFAOYSA-N,3,1,0.35,3,641,439.414,3.443,6,0.411,0.77,1.0,0.2390943047083819,0.38560585292303473,0.2508738263313001,0.317361729833459,0.29823392844904395
EOS-3-07422,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cn1,MLPCKWAOSPMZOV-UHFFFAOYSA-N,3,1,0.333,42,899,431.463,3.711,6,0.419,0.77,1.0,0.050699061065040095,0.06231581111644164,0.4672058118017956,0.4254763210198067,0.251424251250771
EOS-3-07423,c1cnc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nc1,GUXPXDMJSOMIHX-UHFFFAOYSA-N,3,1,0.241,94,72,430.435,3.162,6,0.415,0.75,0.979,0.08061476252484408,0.09659207730792954,0.2616595846754849,0.29536186690425603,0.18355707285312864
EOS-3-07424,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nc1,LVJUCPXCIGGPJZ-UHFFFAOYSA-N,3,1,0.306,70,968,451.429,2.64,6,0.398,0.72,1.0,0.1895689123432253,0.25674216983071757,0.1808563498046741,0.2360787471729148,0.21581154478788295
EOS-3-07425,FC(F)c1cnc(Oc2cncc3nnc(-c4ccc(Cl)c(-c5nn[nH]n5)c4)n23)cn1,XUYVXWQACRKMQM-UHFFFAOYSA-N,3,1,0.407,36,6,442.777,3.145,5,0.435,0.7,1.0,0.6486704132684532,0.8084435610993078,0.6106589678568981,0.6005328627235967,0.6670764512370639
EOS-3-07426,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)c1,VJRDQSHRFFOYEX-UHFFFAOYSA-N,3,1,0.314,9,894,429.447,3.767,6,0.417,0.79,1.0,0.16687512850387226,0.11878041258309917,0.5394249880063052,0.5535175793297238,0.34464952710575014
EOS-3-07427,COc1nnccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,YKFOSQHMTKMHBG-UHFFFAOYSA-N,3,1,0.283,33,523,465.477,2.606,6,0.402,0.76,1.0,0.23910287163319854,0.09343088205057913,0.06236721266534165,0.05994277294222466,0.113710934822836
EOS-3-07428,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nncn5C)c(F)c4)n23)cc1,QKRHMVUZXRJERO-UHFFFAOYSA-N,3,1,0.506,89,707,459.445,2.06,5,0.409,0.72,1.0,0.5318775272428209,0.3617126996093482,0.19440065793982592,0.11996264820779932,0.3019883832499486
EOS-3-07429,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnn5)n4)n23)cc1,LDRROXYWKAPBQM-UHFFFAOYSA-N,3,1,0.418,89,398,465.477,2.51,6,0.385,0.79,1.0,0.4271640052086903,0.13254746076348434,0.054751216503323964,0.05995133986704133,0.168603505585635
EOS-3-07430,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,RXJGWEWKYVCPLH-UHFFFAOYSA-N,3,1,0.511,89,512,467.493,2.453,6,0.387,0.81,1.0,0.3594253306832979,0.06979473648139264,0.06237577959015832,0.05840929340004112,0.1375012850387225
EOS-3-07431,FC(F)(F)c1ncc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4)n23)cn1,NLDHJJLPUXUONZ-UHFFFAOYSA-N,3,1,0.429,68,900,441.337,1.754,5,0.428,0.71,1.0,0.6610753204029881,0.5972859982180796,0.4566085258035775,0.2776111986841204,0.49814526077719135
EOS-3-07432,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnnc4-c4cccc(F)c4)n23)cc1,XKHHNHUQAKVUCO-UHFFFAOYSA-N,3,1,0.385,62,3,425.427,3.414,5,0.474,0.7,1.0,0.2364214241655815,0.272359673771503,0.5762884654924268,0.5340278253718045,0.40477434720032895
EOS-3-07433,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)c5)n34)cc2)cn1,ONJJBZIGKREOID-UHFFFAOYSA-N,3,1,0.342,9,98,435.426,3.84,6,0.419,0.77,1.0,0.26050304982523476,0.3031834692618738,0.6743711877184566,0.7051435816599273,0.48580032211637314
EOS-3-07434,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncc(C)n5)c4)n23)cc1,WYVYGIVYWXZWAV-UHFFFAOYSA-N,3,1,0.489,89,731,452.478,2.89,5,0.418,0.71,1.0,0.5013364402714002,0.1708587485436228,0.287625933794805,0.14440408470975258,0.27605630182989516
EOS-3-07435,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)-n23)n1,SOHFNCZFQRKHQJ-UHFFFAOYSA-N,3,1,0.329,3,973,436.414,3.03,6,0.414,0.71,1.0,0.06834692618737578,0.24690734014118293,0.204792337742444,0.29537043382907274,0.20385425947501884
EOS-3-07436,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)n1,YWMUADQEOGSRHL-UHFFFAOYSA-N,3,1,0.347,25,508,435.455,2.444,6,0.414,0.73,1.0,0.09457884997601261,0.0507504626139401,0.1032314440408471,0.11040196011239806,0.08974067918579946
EOS-3-07437,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)s1,CCVGVEICUDIDPT-UHFFFAOYSA-N,3,1,0.344,62,302,452.543,4.782,6,0.415,0.91,1.0,0.06625659653210883,0.08728839695702831,0.12283256802138305,0.18693886642450827,0.11582910698375712
EOS-3-07438,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)cc4OC(F)F)n23)cc1,GQSKZWRBAXEUPM-UHFFFAOYSA-N,3,1,0.418,61,917,438.373,3.389,5,0.415,0.8,1.0,0.40423034747447056,0.6114728257144816,0.7750239873894866,0.7874374614488383,0.6445411555068192
EOS-3-07439,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)c5)cn4)n23)cn1,JWBICVYSPAYUEZ-UHFFFAOYSA-N,3,1,0.506,4,205,458.869,2.975,5,0.384,0.8,1.0,0.4987920636008498,0.4632221917620451,0.3840466726064012,0.34576965252552944,0.42295764512370637
EOS-3-07440,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c1,HTJAIZPEALRIJV-UHFFFAOYSA-N,3,1,0.357,25,508,422.412,2.699,6,0.421,0.79,1.0,0.16157220204235487,0.07702522102666028,0.14611746967308614,0.17892879172092385,0.1409109211157563
EOS-3-07441,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cncc(-c4ccnc(F)c4)c3)n12,CMYBINCELFACCH-UHFFFAOYSA-N,3,1,0.353,96,859,425.427,3.462,5,0.441,0.76,1.0,0.17795216229182373,0.21610924542526214,0.6659584675484888,0.5917774655609622,0.41294933520663424
EOS-3-07442,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)cn1C,YQFRMUMPXBSPET-UHFFFAOYSA-N,3,1,0.523,89,731,440.467,2.573,5,0.43,0.72,1.0,0.4021999862929203,0.22663799602494689,0.24023370570899868,0.10604139538071414,0.243778270851895
EOS-3-07443,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)cn5)n34)cc2)nc1,MARAOOXODGYRNV-UHFFFAOYSA-N,3,1,0.338,42,106,447.437,3.906,6,0.4,0.78,1.0,0.34571825097662945,0.38561441984785144,0.5823881159618943,0.6034884517853472,0.4793023096429306
EOS-3-07444,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)cn1,OXBKQMQWMKRCFK-UHFFFAOYSA-N,3,1,0.343,61,768,415.392,1.887,5,0.474,0.81,1.0,0.22237166746624631,0.17969981495442397,0.23311459118634775,0.21849941744911247,0.21342137276403264
EOS-3-07445,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(F)cc4)n23)cc1,NQMFRCZNBCBUDB-UHFFFAOYSA-N,3,1,0.394,62,3,414.4,3.612,5,0.482,0.88,1.0,0.34807415530121305,0.4093790692892879,0.5626841888835583,0.5037694469193338,0.45597671509834825
EOS-3-07446,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(C(F)(F)F)nn5)n34)cn2)cn1,VFMOULNHLBZXDS-UHFFFAOYSA-N,3,1,0.393,92,468,439.361,3.188,5,0.42,0.77,1.0,0.46412171886779524,0.5305582208210541,0.8093002535809746,0.6034970187101638,0.6018693029949969
EOS-3-07447,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CCCC6)cc5)n34)nc2)cn1,NCGSMPBVKTYHEO-UHFFFAOYSA-N,3,1,0.317,52,582,464.533,3.926,6,0.423,0.81,1.0,0.08481255568501131,0.013013158796518402,0.07051435816599273,0.1266534164896169,0.07374837228428482
EOS-3-07448,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)cc1,CPIBNXONZBBVBV-UHFFFAOYSA-N,3,1,0.612,19,159,429.871,3.918,5,0.404,0.8,1.0,0.8034576108560071,0.8418203001850456,0.5730073332876431,0.6189260503049825,0.7093028236584196
EOS-3-07449,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)cc1F,WGDMPZHCEDXAKH-UHFFFAOYSA-N,3,1,0.467,68,306,473.39,3.21,5,0.429,0.78,1.0,0.6172726338153657,0.5169196765129189,0.7728308546364198,0.7241964224521965,0.6578048968542252
EOS-3-07450,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)c(-c2ccc(F)cn2)n1,IRDQOSBSQGWRJY-UHFFFAOYSA-N,3,1,0.298,82,204,466.48,3.65,6,0.421,0.78,0.957,0.2576930984853677,0.2567507367555342,0.14317044753615243,0.20394421218559386,0.21538962374066206
EOS-3-07451,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1,SYVRVHSWZNQLQS-UHFFFAOYSA-N,3,1,0.478,63,12,439.838,2.654,5,0.492,0.61,0.996,0.5689123432252758,0.44093105338907546,0.6048163251319306,0.5268487423754369,0.5353771160304297
EOS-3-07452,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cn2)n1,ZFNZFPICMKWPBN-UHFFFAOYSA-N,3,1,0.337,70,687,432.451,3.106,6,0.418,0.75,0.987,0.06835549311219245,0.03984476732232198,0.20832191076691112,0.21296518401754505,0.13237183880474265
EOS-3-07453,CONC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cnc(C)n5C)cn4)n23)nc1,UBVWZLNAAVYXGX-UHFFFAOYSA-N,3,1,0.284,33,432,441.455,2.248,5,0.412,0.72,0.996,0.20323315742581044,0.05449420875882393,0.14612603659790283,0.059959906791857996,0.1159533273935988
EOS-3-07454,Cc1cc(-c2nsc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)ccc1Cl,KSIGFFKHCSSPLT-UHFFFAOYSA-N,3,1,0.424,62,837,447.911,4.038,5,0.445,0.78,1.0,0.1315451305599342,0.2774227263381537,0.3500702487834967,0.38773045027756836,0.28669213898978824
EOS-3-07455,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(Cl)c5)n4)n23)cc1,BUKXUPKDTSJYIB-UHFFFAOYSA-N,3,1,0.329,8,973,454.885,3.488,6,0.401,0.76,1.0,0.055642176684257416,0.1880954012747584,0.22562709889658009,0.34257418956891234,0.20298471660612705
EOS-3-07456,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6)nc5)n34)cc2)nn1,RQPXQUMPXRSIFM-UHFFFAOYSA-N,3,1,0.377,9,553,431.463,3.711,6,0.419,0.79,1.0,0.07032588582002604,0.043314371873072445,0.35007881570831334,0.3586714412994312,0.20559762867521075
EOS-3-07457,COc1nc(Cl)nc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)n1,YXPFKUAEQXKEGV-UHFFFAOYSA-N,3,1,0.321,22,856,451.277,4.021,5,0.404,0.79,0.976,0.40651771640052087,0.46323075868686175,0.3386762387773285,0.45710540744294426,0.41638253032691386
EOS-3-07458,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)c1,NJLWQCWRCKIRKT-UHFFFAOYSA-N,3,1,0.317,39,953,433.439,2.594,6,0.412,0.75,1.0,0.004094990062367213,0.002458707422383661,0.08142005345761086,0.11298917140703173,0.05024073058734836
EOS-3-07459,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC5CCC(F)(F)C5)nc4)n23)cn1,ULFRHUBIYPSYBW-UHFFFAOYSA-N,3,1,0.345,63,169,437.41,2.914,5,0.509,0.64,1.0,0.43151600301555754,0.342454252621479,0.39122575560276884,0.4191110958810225,0.396076776780207
EOS-3-07460,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cn4)n23)cc1F,FOTRFPKBEVKFDV-UHFFFAOYSA-N,3,1,0.372,96,680,417.429,3.215,5,0.481,0.77,1.0,0.16158076896717155,0.19699643615927626,0.48808340758001506,0.4602152011513947,0.3267189534644644
EOS-3-07461,Cn1ccc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,DTGMOEBCWHDMTN-UHFFFAOYSA-N,3,1,0.373,62,341,469.936,4.404,6,0.412,0.86,1.0,0.19775032554314304,0.29322870262490575,0.435011308340758,0.5204235487629361,0.3616034713179357
EOS-3-07462,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccc2F)cn1,CUPOVUCWYBLNED-UHFFFAOYSA-N,3,1,0.533,89,731,444.43,2.404,5,0.426,0.7,1.0,0.4360993077924748,0.28783153999040506,0.3840552395312179,0.2627732849016517,0.34268984305393735
EOS-3-07463,NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)c(Cl)cn5)n4)n23)cn1,JDDMACVMSQRNEY-UHFFFAOYSA-N,3,1,0.337,50,844,436.798,1.72,5,0.448,0.66,0.949,0.05234391062984031,0.21131176752792818,0.1431790144609691,0.20395277911041051,0.152696867932287
EOS-3-07464,CCNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5cccnc5)nc(C)n4C)n23)cc1,ORUVDYZOLSDELF-UHFFFAOYSA-N,3,1,0.308,74,333,438.495,3.312,5,0.452,0.73,1.0,0.11774381468028236,0.06632513193064217,0.10583578918511412,0.06143341786032486,0.08783453841409088
EOS-3-07465,CC(C)(O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cnccn5)c(F)c4)n23)cn1,IDPMJNGBFJKEOP-UHFFFAOYSA-N,3,1,0.349,85,674,442.458,2.996,5,0.442,0.67,0.999,0.4042389143992872,0.45434685765197724,0.5696062641354259,0.3813566582139675,0.45238717360016445
EOS-3-07466,COc1ccc(-c2cnc(F)c(F)c2)cc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,FWFTZQVFXJYAJC-UHFFFAOYSA-N,3,1,0.39,62,3,458.428,3.906,5,0.4,0.82,0.978,0.49880063052566653,0.44983208827359333,0.861952573504215,0.7610084983894181,0.6428984476732232
EOS-3-07467,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cn1,WFXGNEJVRYHFQT-UHFFFAOYSA-N,3,1,0.302,86,780,433.439,2.501,6,0.412,0.73,1.0,0.10194640531834692,0.04332293879788911,0.09559831402919608,0.10180076759646357,0.08566710643547393
EOS-3-07468,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCC5CCOCC5)n34)cc2F)nn1,OQAYFNRATMBIST-UHFFFAOYSA-N,3,1,0.523,78,548,435.463,3.286,5,0.455,0.73,1.0,0.5295301898430539,0.5034953053252005,0.023841751764786513,0.119971215132616,0.29420961551641417
EOS-3-07469,COc1nc(Cl)ncc1-c1cncc2nnc(-c3ccc(C(=O)NCCO)cc3)n12,XONPYIIOHVBKSY-UHFFFAOYSA-N,3,1,0.353,74,437,425.836,1.632,4,0.446,0.78,1.0,0.38928106366938525,0.2519275580837503,0.16804023027893908,0.09756013981221301,0.2267022479610719
EOS-3-07470,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ccc(F)c(-c4nn[nH]n4)c3)n12,KXGYRQJBXAFWDM-UHFFFAOYSA-N,3,1,0.365,14,740,429.419,2.109,5,0.436,0.74,1.0,0.2632530326913851,0.2982146528682064,0.33868480570214515,0.29234630936878897,0.29812470015763143
EOS-3-07471,Cc1cccc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)n1,PJHJELMMRJBURS-UHFFFAOYSA-N,3,1,0.283,10,195,431.463,3.804,6,0.418,0.77,0.135,0.003683777671167158,0.007187649921184292,0.2876345007196217,0.30496538962374065,0.15086782948392846
EOS-3-07472,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)c(F)c1,MQIYBIYVVSCOLX-UHFFFAOYSA-N,3,1,0.288,98,541,451.429,2.64,6,0.398,0.73,0.766,0.13934103214310192,0.22664656294976354,0.10324001096566376,0.19262730450277568,0.16546372764032624
EOS-3-07473,Cc1nc(CNC(=O)c2ccc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)cs1,VGENUVMRRRYOOI-UHFFFAOYSA-N,3,1,0.33,33,776,462.926,3.597,5,0.424,0.75,1.0,0.23911143855801523,0.24180145295044891,0.14613460352271948,0.14441265163456926,0.19286503666643823
EOS-3-07474,COc1ncc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)ccc4OC)n23)cn1,IAJRJDMGDQLNAI-UHFFFAOYSA-N,3,1,0.376,82,478,430.403,2.862,5,0.415,0.77,1.0,0.4790538688232472,0.3617212665341649,0.4021400178192036,0.2596634911932013,0.3756446610924543
EOS-3-07475,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(C)o5)nn4)n23)cc1F,VXBHBRPZUDIJEE-UHFFFAOYSA-N,3,1,0.478,53,226,461.417,2.017,5,0.398,0.75,1.0,0.4863528887670482,0.34246281954629565,0.10324857789048043,0.06292406277842506,0.24874708724556235
EOS-3-07476,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(F)nn5)n4)n23)c(Cl)c1,QATRQDRIYTXUCU-UHFFFAOYSA-N,3,1,0.343,22,844,462.836,2.252,5,0.426,0.69,0.402,0.3007418956891234,0.3374083339044617,0.21187718456582824,0.2537009115208005,0.27593208142005343
EOS-3-07477,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ncc(-c5nnco5)cc4F)n23)cn1,ZSDDRWTUNFHONV-UHFFFAOYSA-N,3,1,0.376,82,875,433.363,1.922,5,0.436,0.68,1.0,0.57442944280721,0.40476149681310397,0.12539407854156673,0.06788431224727572,0.2931173326022891
EOS-3-07478,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cn1,BHWSTAJLSKACIZ-UHFFFAOYSA-N,3,1,0.292,70,191,446.478,3.589,6,0.395,0.79,1.0,0.10943389760811459,0.058546364197107806,0.10584435610993077,0.12666198341443355,0.10012165033239667
EOS-3-07479,COc1cc(-c2cnc(C)cn2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,BAPBHHKBOMKBJB-UHFFFAOYSA-N,3,1,0.322,82,204,438.451,2.726,5,0.443,0.69,0.993,0.3338616270303612,0.1095881022548146,0.24372901103419917,0.1330100747035844,0.20504720375573984
EOS-3-07480,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnccc4-c4ccccc4)n23)c(F)c1,QYRDLBMKRUDECU-UHFFFAOYSA-N,3,1,0.327,25,791,449.453,3.85,6,0.403,0.78,0.977,0.23912000548283188,0.2878401069152217,0.4672143787266123,0.569863271879926,0.39100944075114796
EOS-3-07481,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)nc1,OZBGXBXQDOSUIN-UHFFFAOYSA-N,3,1,0.316,64,449,449.453,3.85,6,0.403,0.78,1.0,0.2364299910903982,0.30818655335480777,0.3612243848947982,0.41911966280583923,0.33124014803646085
EOS-3-07482,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccccc4-c4cccc(F)c4)n23)nc1,ZACZVCXBQZQJAT-UHFFFAOYSA-N,3,1,0.349,25,791,449.453,3.85,6,0.403,0.78,1.0,0.23912857240764854,0.32328147488177644,0.40913919539442123,0.5305753546706874,0.3755311493386334
EOS-3-07483,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)nc1,ODINWNQSDAHXAS-UHFFFAOYSA-N,3,1,0.423,68,457,460.832,2.246,4,0.425,0.68,0.999,0.42006202453567265,0.24691590706599958,0.30559077513535743,0.2745528065245699,0.3117803783153999
EOS-3-07484,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(Cl)nn5)c4)n23)cc1,DZOFPPFQPYNHOD-UHFFFAOYSA-N,3,1,0.541,89,637,472.896,3.235,5,0.4,0.8,1.0,0.7460934822835995,0.5080100747035844,0.3765420464670002,0.2923548762936056,0.48075011993694744
EOS-3-07485,O=C(O)c1ccc(-c2nnc3cncc(-c4ccnn4-c4cc(F)cc(F)c4)n23)cc1,ZFZKLEFOZYZTBE-UHFFFAOYSA-N,3,1,0.406,96,730,418.363,3.62,5,0.479,0.78,1.0,0.0662651634569255,0.0545027756836406,0.7660715509560688,0.7295593173874306,0.4040997018710164
EOS-3-07486,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnn(-c5cncc(Cl)c5)c4)n23)cc1,YEWVVUHYHCFELB-UHFFFAOYSA-N,3,1,0.527,89,731,446.858,2.703,5,0.425,0.73,1.0,0.4665290247412789,0.33741690082927833,0.44237029675827566,0.3813652251387842,0.4069203618669043
EOS-3-07487,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cc(F)cc(-c5nncs5)c4)n23)cn1,APFYANGDSIZWSY-UHFFFAOYSA-N,3,1,0.373,14,487,461.486,2.816,5,0.396,0.76,1.0,0.14769378383935303,0.14357309300253582,0.17124426016037284,0.1129977383318484,0.1438772188335275
EOS-3-07488,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cc(Cl)nc(-c4cncnc4)c3)n12,FKERBKDTCVJYIK-UHFFFAOYSA-N,3,1,0.327,82,478,442.87,3.371,5,0.423,0.71,0.951,0.11775238160509903,0.1881039681995751,0.504977383318484,0.45711397436776097,0.3169869268727298
EOS-3-07489,c1ccc(-c2ncc(-c3nnc4cncc(Cc5ccc(-c6ccncc6)nc5)n34)cn2)nc1,YFQAJKWIJBVHHL-UHFFFAOYSA-N,3,1,0.32,28,723,443.474,3.691,6,0.397,0.75,1.0,0.10449934891371393,0.04712665341648962,0.3055993420601741,0.30497395654855736,0.19054982523473374
EOS-3-07490,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cn1,LYWUTPYBBWVDCB-UHFFFAOYSA-N,3,1,0.309,39,972,450.441,3.245,6,0.402,0.77,1.0,0.17495373860599,0.21132033445274484,0.22563566582139674,0.30156432047152354,0.22836851483791376
EOS-3-07491,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)c2)cn1,IGGWTTFLAHSLSU-UHFFFAOYSA-N,3,1,0.3,98,765,434.467,3.049,6,0.42,0.73,1.0,0.04610718936330615,0.03658933589198821,0.3386933726269618,0.304982523473374,0.18159310533890755
EOS-3-07492,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)cc1,RZMPRGPIFAZEAC-UHFFFAOYSA-N,3,1,0.319,98,882,434.467,3.049,6,0.42,0.73,1.0,0.09213727640326229,0.03985333424713865,0.2331231581111644,0.20685696662326092,0.14299268384620656
EOS-3-07493,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c2cccn2n1,BUICVEZTPVESIX-UHFFFAOYSA-N,3,1,0.289,52,295,477.492,2.189,7,0.399,0.85,1.0,0.13401240490713454,0.058554931121924475,0.0229936262079364,0.048857172229456514,0.06610453361661298
EOS-3-07494,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cc2)nn1,OSWVLSAZBXUFHP-UHFFFAOYSA-N,3,1,0.315,3,289,438.43,2.974,6,0.417,0.72,0.999,0.022813720786786375,0.16688369542868892,0.30560790898499074,0.3654136111301487,0.21517973408265367
EOS-3-07495,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nncs5)c4)n23)cc1,WBRUYNQAEAUSHS-UHFFFAOYSA-N,3,1,0.58,43,909,447.455,3.127,5,0.424,0.73,1.0,0.7461020492084162,0.4232146528682064,0.4980381742169831,0.40617503940785415,0.5183824789253649
EOS-3-07496,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)n1,ZBSQVFLBWWYPAK-UHFFFAOYSA-N,3,1,0.341,76,387,450.441,3.245,6,0.402,0.73,1.0,0.12561681858680007,0.27236824069631965,0.2331317250359811,0.33634603522719486,0.2418657048865739
EOS-3-07497,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)nc1,XZSUPGNONRZJNR-UHFFFAOYSA-N,3,1,0.321,39,972,450.441,3.245,6,0.402,0.73,0.981,0.16688369542868892,0.21611781235007882,0.21514974984579535,0.29236344321842234,0.22262867521074636
EOS-3-07498,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c(F)c2)cn1,GOZVVOQELSKSAM-UHFFFAOYSA-N,3,1,0.565,37,619,433.422,3.487,5,0.408,0.78,1.0,0.7723425399218696,0.6836920019189912,0.7660801178808855,0.7295678843122473,0.7379206360084984
EOS-3-07499,Cc1ncncc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,ZQZTULBJJHUQQB-UHFFFAOYSA-N,3,1,0.362,62,341,465.492,4.255,6,0.417,0.83,1.0,0.2282828455897471,0.25193612500856694,0.48449386608183126,0.5102032074566514,0.3687290110341992
EOS-3-07500,Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)cn1,DZRRIBVBEQUGQT-UHFFFAOYSA-N,3,1,0.263,99,286,435.455,2.538,6,0.415,0.72,0.997,0.0024844081968336644,0.02772256870673703,0.0727588924679597,0.06969193338359263,0.04316445068878076
EOS-3-07501,Cc1cccc(-c2cnc(-c3cncc4nnc(-c5cc(Cl)ccc5CO)n34)cn2)n1,JUTWBVGKEXSCAO-UHFFFAOYSA-N,3,1,0.321,96,155,429.871,3.764,5,0.464,0.72,1.0,0.20060311150709342,0.39031766157220205,0.582396682886711,0.6035055856349805,0.44420576040024673
EOS-3-07502,Fc1cc(-c2nnc3cncc(OCc4ncnc(-c5cccnn5)n4)n23)ccc1Cl,RSPVQBHWKFAHMM-UHFFFAOYSA-N,3,1,0.489,73,839,435.81,2.805,5,0.41,0.73,1.0,0.8414433554931122,0.9405455417723254,0.3314114865327942,0.4254848879446234,0.6347213179357138
EOS-3-07503,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)cc1,UKRKKTHOYUHCTM-UHFFFAOYSA-N,3,1,0.315,98,882,421.428,2.23,6,0.425,0.76,1.0,0.00410355698718388,0.017313755054485642,0.1944092248646426,0.17893735864574054,0.09869097388801316
EOS-3-07504,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)ns4)n23)cc1,FEQPEHAPLSZYML-UHFFFAOYSA-N,3,1,0.453,89,731,458.507,3.034,5,0.395,0.79,1.0,0.31878383935302584,0.19700500308409294,0.06033685148379138,0.032006031115070936,0.15203293125899528
EOS-3-07505,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)nc2)cs1,VEPMRBGMRKPWOM-UHFFFAOYSA-N,3,1,0.264,70,813,453.495,2.871,6,0.396,0.75,0.999,0.04611575628812282,0.08729696388184498,0.04573881159618943,0.04749503118360633,0.056661640737440885
EOS-3-07506,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)n(C)n1,ZCZKDGWEUCIZIO-UHFFFAOYSA-N,3,1,0.373,62,341,467.508,4.199,6,0.419,0.83,1.0,0.21166301144541155,0.23157254471934755,0.3949780686724693,0.4128743746144884,0.3127719998629292
EOS-3-07508,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnn5)cc4F)n23)cc1F,MZSNHANOFFIOLU-UHFFFAOYSA-N,3,1,0.297,74,768,471.431,2.876,6,0.415,0.74,0.987,0.18092488520320746,0.1970135700089096,0.2984545267630731,0.4096446439586046,0.2715094064834487
EOS-3-07509,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ncccn5)ncn4)n23)nc1,GJDTWDFZKBUOSL-UHFFFAOYSA-N,3,1,0.34,33,647,424.428,1.384,5,0.443,0.68,1.0,0.12017682132821603,0.025392365156603387,0.040992735247755464,0.019643958604619285,0.05155147008429854
EOS-3-07510,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(-c5ccsc5)n4)n23)cc1,YFPVFVOGPVFRQI-UHFFFAOYSA-N,3,1,0.443,14,886,444.495,3.938,5,0.428,0.72,1.0,0.3111764101158248,0.2519446919333836,0.40214858474402027,0.37829826605441713,0.33589198821191146
EOS-3-07511,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)cn1,KAKURVHVAASCLH-UHFFFAOYSA-N,3,1,0.352,42,945,431.463,3.711,6,0.419,0.78,1.0,0.06836406003700911,0.05451134260845727,0.3056164759098074,0.30499109039819067,0.1833707422383661
EOS-3-07512,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)cc1=O,LLFSFSCTJCGRTG-UHFFFAOYSA-N,3,1,0.494,43,521,446.417,3.409,5,0.411,0.74,1.0,0.6486789801932699,0.4717034473305462,0.7992683846206565,0.7783736549928038,0.6745061167843192
EOS-3-07513,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cc1,WZRAXESIPGMYNT-UHFFFAOYSA-N,3,1,0.324,67,973,421.428,2.23,6,0.425,0.78,1.0,0.024886916592419987,0.03659790281680488,0.05099890343362347,0.07741929956822699,0.04747575560276883
EOS-3-07514,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4F)n23)cc1,CZOFTAYNJBJVMV-UHFFFAOYSA-N,3,1,0.49,0,21,486.507,2.962,6,0.466,0.95,1.0,0.2308100884106641,0.06633369885545884,0.019215612363785894,0.08439277636899459,0.10018804399972586
EOS-3-07515,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)nc5)nc4)n23)c(F)c1,ADWKGGIMPHGTPL-UHFFFAOYSA-N,3,1,0.343,82,582,470.443,3.481,6,0.392,0.84,0.992,0.22534439037763004,0.30319203618669044,0.43888355835789183,0.4907562881228154,0.3645440682612569
EOS-3-07516,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4cccc(CO)c4)n23)cc1,GZNJXOGWEHMUSG-UHFFFAOYSA-N,3,1,0.33,62,3,442.504,3.434,5,0.432,0.77,1.0,0.24436296347063258,0.13616270303611816,0.42407134534987323,0.3266140086354602,0.282802755123021
EOS-3-07517,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cccnc5)nn4)n23)nc1,JYPAUMHWQRZZRS-UHFFFAOYSA-N,3,1,0.351,32,301,447.437,3.906,6,0.4,0.77,0.999,0.23913713933246522,0.35718936330614764,0.45661709272839424,0.5633952436433418,0.40408470975258726
EOS-3-07518,COc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)C5)nc4)n23)ccc1Cl,CIDHDARCCJJTSZ-UHFFFAOYSA-N,3,1,0.357,0,169,470.867,3.997,5,0.448,0.81,0.999,0.3314114865327942,0.39494380097320264,0.31676204509629224,0.5139726543759852,0.38927249674456854
EOS-3-07519,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(Cl)nn5)ncn4)n23)cc1F,GIRNLFGSWJQDNN-UHFFFAOYSA-N,3,1,0.348,74,768,462.836,2.252,5,0.426,0.7,0.377,0.2874631622232883,0.282622849701871,0.2185422520731958,0.23608731409773148,0.25617889452402165
EOS-3-07520,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccn5)ccn4)n23)nc1,VGAPSGKHDBTLLP-UHFFFAOYSA-N,3,1,0.447,46,267,442.414,2.46,5,0.424,0.69,0.993,0.48386848057021453,0.2620536632170516,0.3686090740867658,0.3015728873963402,0.354026026317593
EOS-3-07521,Cn1cnnc1-c1ccc(F)c(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)c1,ZMSJBJPXZYSMQE-UHFFFAOYSA-N,3,1,0.309,98,259,440.406,1.968,6,0.435,0.69,0.996,0.222380234391063,0.3032006031115071,0.12540264546638338,0.17337742443972312,0.20609022685216916
EOS-3-07522,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)nc1,XVYCNAIWWDBNBO-UHFFFAOYSA-N,3,1,0.262,39,588,436.414,3.03,6,0.414,0.73,0.994,0.009783428140634638,0.06232437804125831,0.1617778082379549,0.2447827427866493,0.11966708930162429
EOS-3-07523,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,RDJWXJSLMOQDJE-UHFFFAOYSA-N,3,1,0.333,9,498,448.425,3.301,6,0.4,0.74,1.0,0.2141217188677952,0.32790761428277704,0.412548831471455,0.5235076416969364,0.3695214515797409
EOS-3-07524,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c1,WXMTUGMQRPGIJN-UHFFFAOYSA-N,3,1,0.333,64,27,447.437,3.906,6,0.4,0.79,1.0,0.25502021794256735,0.28784867384003837,0.5049859502433006,0.597662942910013,0.4113794462339798
EOS-3-07525,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)c1,BDXBXUZKHUQZIK-UHFFFAOYSA-N,3,1,0.248,39,527,433.439,2.594,6,0.412,0.74,0.997,0.006622232883284216,0.007881570831334384,0.04394832430950586,0.07356418340072647,0.03300407785621273
EOS-3-07526,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)cn1,DECUYXXPDDRRNO-UHFFFAOYSA-N,3,1,0.359,62,341,465.492,4.255,6,0.417,0.82,1.0,0.22238880131587965,0.24181001987526557,0.4350198752655747,0.4633506956342951,0.3406423480227537
EOS-3-07527,CCNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(C)cn5)cn4)n23)nc1,RVJSBEHBKBXMQG-UHFFFAOYSA-N,3,1,0.337,33,348,452.478,3.494,5,0.416,0.76,1.0,0.4042474813241039,0.1472740045233363,0.19780172709204305,0.09565828250291275,0.211245373860599
EOS-3-07528,Cc1ccc(Cl)c(-c2c(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cnn2C)c1,NIXKWMKGXAJCNV-UHFFFAOYSA-N,3,1,0.419,62,124,443.898,3.92,5,0.453,0.72,1.0,0.1340209718319512,0.18811253512439174,0.5762970324172435,0.5471009526420396,0.3613828730039065
EOS-3-07529,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)n1,ZBNBWJKZUDAJCK-UHFFFAOYSA-N,3,1,0.3,98,890,436.443,1.839,6,0.406,0.7,1.0,0.08709992461106161,0.058563498046741144,0.04901137687615653,0.05145295044890686,0.06153193749571653
EOS-3-07530,Cc1cc(-c2nccc(COc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)n2)ccn1,VGAXDYPVYJLSOC-UHFFFAOYSA-N,3,1,0.479,4,744,439.435,3.229,5,0.424,0.77,1.0,0.44537728736892607,0.039861901171955316,0.3128812281543417,0.16005585634980468,0.23954406826125696
EOS-3-07531,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c1,ULXFVRFJLYYDOD-UHFFFAOYSA-N,3,1,0.278,70,957,432.451,3.106,6,0.418,0.74,1.0,0.04746933040915633,0.018830100747035845,0.2765317661572202,0.2953790007538894,0.15955254951682546
EOS-3-07532,COc1cc(C(=O)O)ccc1-c1nnc2cncc(-c3ccc(-c4nnn(C)n4)cn3)n12,LIVQVNLWOCTVAH-UHFFFAOYSA-N,3,1,0.322,50,985,429.4,1.751,5,0.438,0.7,1.0,0.12562538551161676,0.01883866767185251,0.09113494619971216,0.03419059694332122,0.06744739908162567
EOS-3-07533,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3cn(-c4ccccc4)nn3)n12,PETYCTHWDCGDGX-UHFFFAOYSA-N,3,1,0.339,10,39,450.466,2.843,6,0.394,0.76,1.0,0.019661092454252623,0.030472551572887398,0.1712528270851895,0.15449592214378727,0.0939705983140292
EOS-3-07534,Cn1cc(-c2cccc(-c3nnc4cncc(CNc5cc(Cl)ccc5F)n34)c2)cn1,KWWKQLXSLQBZQM-UHFFFAOYSA-N,3,1,0.34,14,291,433.878,4.596,5,0.438,0.83,1.0,0.08710849153587828,0.21132890137756152,0.8333990130902611,0.8341786032485778,0.4915037523130697
EOS-3-07535,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)cc1,VVFUZKOTMWHCKF-UHFFFAOYSA-N,3,1,0.388,98,882,452.457,3.188,6,0.405,0.72,1.0,0.23914570625728188,0.287857240764855,0.34605236104447945,0.3457782194503461,0.3047083818792406
EOS-3-07536,Brc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnn5)c4)n23)cc1,YENAZOOHIFVFCL-UHFFFAOYSA-N,3,1,0.612,16,32,461.283,3.38,5,0.393,0.77,1.0,0.8508412720169968,0.7752724282091701,0.4845024330066479,0.4785484202590638,0.6472911383729697
EOS-3-07537,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5Cl)nn4)n23)cc1,MWZMXWASIMWVLO-UHFFFAOYSA-N,3,1,0.313,98,39,454.885,3.488,6,0.401,0.77,1.0,0.024895483517236652,0.1591220615447879,0.30195839901309024,0.41288294153930505,0.22471472140360496
EOS-3-07538,Cc1nn(C)cc1-c1nc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)no1,VBSPTUNNTVJLTL-UHFFFAOYSA-N,3,1,0.304,8,608,436.439,3.007,6,0.41,0.71,1.0,0.09214584332807896,0.06233294496607498,0.062384346514974987,0.05698718388047427,0.0684625796724008
EOS-3-07539,CNC(=O)c1cccc(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)n1,SAGDLJJQCINJPE-UHFFFAOYSA-N,3,1,0.5,1,61,443.492,3.248,5,0.429,0.75,1.0,0.40009252278802,0.17086731546843945,0.18745288191350834,0.11766671235693235,0.21901985813172503
EOS-3-07540,CNC(=O)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5cc(F)nc(Cl)c5)n4)n23)cc1,WRQGYMVWSHYOJJ-UHFFFAOYSA-N,3,1,0.36,74,333,449.837,2.791,5,0.404,0.76,1.0,0.22535295730244673,0.29323726954972246,0.35008738263313,0.34578678637516275,0.3036160989651155
EOS-3-07541,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cn4)n23)cc1,XMNBYLJSVSSAJF-UHFFFAOYSA-N,3,1,0.379,62,3,456.456,4.359,5,0.41,0.86,1.0,0.2223973682406963,0.24181858680008225,0.6932612569392091,0.6738143376053731,0.4578228873963402
EOS-3-07542,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,HXNCYIUTPRNSTO-UHFFFAOYSA-N,3,1,0.333,70,934,432.451,3.106,6,0.418,0.76,0.999,0.061013638544308135,0.030481118497704063,0.08635460215201152,0.13301864162840107,0.07771700020560621
EOS-3-07543,Cn1c(-c2ccccn2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3)n12,RMUQDZKOZTXIFG-UHFFFAOYSA-N,3,1,0.366,39,854,450.441,3.245,6,0.402,0.76,0.845,0.10944246453293126,0.20187101637996024,0.09114351312452881,0.19263587142759236,0.14877321636625318
EOS-3-07544,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)cc5)n34)cn2)nn1,MKJOGJCDWOVZOA-UHFFFAOYSA-N,3,1,0.286,98,727,434.467,3.049,6,0.42,0.71,1.0,0.050707627989856764,0.033676581454321154,0.2544805016791173,0.23318312658488108,0.14301195942704406
EOS-3-07545,CCC(C)NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cc1,FGXZBYUPVSINGQ-UHFFFAOYSA-N,3,1,0.305,52,295,453.51,3.177,5,0.42,0.74,1.0,0.11200397505311493,0.030489685422520733,0.14942430265231993,0.06789287917209239,0.089952710575012
EOS-3-07546,CC(=O)c1ccn(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4C(F)F)n23)c1,HPKQKUXSEIGHGE-UHFFFAOYSA-N,3,1,0.34,63,66,451.437,3.069,5,0.433,0.72,0.983,0.20886162703036118,0.22665512987458022,0.15247412788705367,0.13076554040161745,0.17968910629840312
EOS-3-07547,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(Cc5cccc(F)c5)n4)n23)cc1,TXQRKTMAOYQPRR-UHFFFAOYSA-N,3,1,0.337,67,642,452.457,3.033,6,0.396,0.75,1.0,0.1696850798437393,0.32791618120759375,0.25796724007950106,0.32333287643067643,0.26972534439037765
EOS-3-07548,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncon5)n4)n23)cc1,SYMGSTYDTCMYJP-UHFFFAOYSA-N,3,1,0.456,89,408,429.4,1.57,5,0.422,0.73,1.0,0.42717257213350696,0.21612637927489547,0.07276745939277637,0.033162565965321085,0.18730724419162498
EOS-3-07549,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)O)cc5C)n34)c(F)c2)n(C)n1,WLAABFCWLUIRDU-UHFFFAOYSA-N,3,1,0.4,61,124,442.454,4.313,5,0.445,0.79,1.0,0.21167157837022824,0.09961620176821329,0.6494071688026866,0.49378897950791584,0.36362098211226096
EOS-3-07551,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)nn1,BMVRBVRJGKLYII-UHFFFAOYSA-N,3,1,0.381,85,476,435.373,3.043,5,0.424,0.68,1.0,0.39589472962785277,0.4047700637379206,0.8115276540333082,0.6969621684600096,0.5772886539647728
EOS-3-07552,N#Cc1ccc(F)c(COc2cncc3nnc(-c4ccc(C(=O)Nc5cccnc5)cn4)n23)c1,UTNNQYHXZUBCMK-UHFFFAOYSA-N,3,1,0.386,89,348,466.436,3.423,5,0.403,0.79,1.0,0.49623055308066616,0.2567593036803509,0.6904855732986087,0.5794582276745939,0.5057334144335549
EOS-3-07553,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnncc4-c4ncc(C(F)F)cn4)n23)cc1,GLRZDDSJVZSBNQ-UHFFFAOYSA-N,3,1,0.349,74,333,459.42,3.003,5,0.425,0.71,1.0,0.2737132478925365,0.18812110204920843,0.5763055993420602,0.4571225412925776,0.3738156226440957
EOS-3-07554,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)cc1,LKQLULONBLFWRR-UHFFFAOYSA-N,3,1,0.484,89,943,456.441,2.721,5,0.387,0.75,1.0,0.7311270646288808,0.43227845932424097,0.4125573983962717,0.27761976560893703,0.4633956719895826
EOS-3-07555,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)cn1,YJCAPZONXOIXRP-UHFFFAOYSA-N,3,1,0.654,16,82,431.406,3.809,5,0.418,0.77,1.0,0.9313789322184909,0.762353505585635,0.7192447399081625,0.6536649304365705,0.7666605270372147
EOS-3-07556,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nn5)cc4OC)n23)c(C)c1,UHYVUXRVWQGLFL-UHFFFAOYSA-N,3,1,0.309,62,124,465.517,3.9,5,0.419,0.79,1.0,0.3187924062778425,0.09962476869302996,0.4310705229250908,0.22734048385991365,0.26920704543896923
EOS-3-07557,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)nn1,CNEUKXKRSHNMHC-UHFFFAOYSA-N,3,1,0.289,98,541,434.427,1.896,6,0.404,0.72,0.471,0.061022205469124804,0.036606469741621545,0.021802823658419575,0.0447621821670893,0.04104842025906381
EOS-3-07558,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,KPZUVDNMGQLNDA-UHFFFAOYSA-N,3,1,0.299,86,812,434.427,1.896,6,0.404,0.72,1.0,0.055650743609074085,0.07703378795147693,0.0490199438009732,0.0697005003084093,0.06285124391748338
EOS-3-07559,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5cc(F)ccc5Cl)n34)c2)n1,XGBFMWGHMKMMTP-UHFFFAOYSA-N,3,1,0.536,43,258,436.838,3.353,5,0.417,0.75,1.0,0.6031886094167638,0.7034044959221438,0.5428174902337057,0.6159104927695155,0.6163302720855323
EOS-3-07560,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncc(C)n5)cc4OC)n23)cc1,HYTQNGFHUINDNX-UHFFFAOYSA-N,3,1,0.33,62,124,466.505,3.377,5,0.404,0.79,1.0,0.22829141251456378,0.07362415187444316,0.22940511274073058,0.10821739428414776,0.15988451785347133
EOS-3-07561,O=C(c1ccc(-c2cncc3nnc(-c4ncc(C(F)F)cn4)n23)cn1)N1CC(F)C(F)C1,MTSZOFASZZGDOL-UHFFFAOYSA-N,3,1,0.299,68,169,458.379,2.713,5,0.434,0.69,0.183,0.1447981632513193,0.14358165992735247,0.3912343225275855,0.5037780138441506,0.29584803988760194
EOS-3-07562,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)cc1,QEBHJTCAMWAISK-UHFFFAOYSA-N,3,1,0.505,89,398,452.478,2.972,5,0.4,0.72,1.0,0.3548163251319306,0.14359022685216916,0.25448906860393394,0.13981221300801863,0.22317695839901308
EOS-3-07563,Fc1cc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)ccc1-c1ccncc1,IHAUUOUSNNVSJR-UHFFFAOYSA-N,3,1,0.356,42,151,436.414,3.03,6,0.414,0.7,1.0,0.004480501679117264,0.15530121307655403,0.5361181550270715,0.5761770954698101,0.3180192413131382
EOS-3-07564,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cccc(F)c6)nn5C)n34)nc2)cn1,FOHDTLXMJSERBK-UHFFFAOYSA-N,3,1,0.357,98,979,452.457,3.188,6,0.405,0.75,1.0,0.03724898910287163,0.22666369679939688,0.21855081899801249,0.26278185182646835,0.18631133918168735
EOS-3-07565,Cn1cnnc1-c1cc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)ccc1F,MBFZTVPEELEQOS-UHFFFAOYSA-N,3,1,0.524,37,795,435.398,2.276,5,0.4,0.73,1.0,0.7723511068466863,0.6547700637379207,0.22941367966554727,0.2659430470838188,0.4806194743334933
EOS-3-07566,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)cc1,JGVWOQFYULILAA-UHFFFAOYSA-N,3,1,0.544,36,734,433.863,2.652,5,0.402,0.72,1.0,0.8034661777808237,0.6547786306627373,0.1228411349461997,0.15450448906860392,0.4338976081145912
EOS-3-07567,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)c(OC(F)F)c1,NRKCSDLKFARJEK-UHFFFAOYSA-N,3,1,0.406,63,364,471.855,3.319,5,0.412,0.79,1.0,0.4571311082173943,0.567695839901309,0.5015249126173669,0.5441196628058392,0.5176178808854773
EOS-3-07568,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccccn6)n5)n34)cc2)nc1,QDMNBGVFPVSYEV-UHFFFAOYSA-N,3,1,0.324,38,186,429.447,3.767,6,0.417,0.77,1.0,0.10697519018573093,0.12921492700980056,0.29112980604482214,0.34579535329997946,0.21827881913508326
EOS-3-07569,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cn1,GUONRQZLIMFIKU-UHFFFAOYSA-N,3,1,0.291,25,373,446.478,3.414,6,0.405,0.74,1.0,0.08062332944966075,0.08405009937632787,0.16487046809677197,0.1843516551298746,0.1284738880131588
EOS-3-07570,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)nn1,VQLPJEUEXPAQPT-UHFFFAOYSA-N,3,1,0.435,89,926,468.481,1.848,6,0.379,0.82,1.0,0.20887019395517786,0.11266362826399835,0.043956891234322525,0.043460009594955794,0.10223768076211362
EOS-3-07571,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)cn1,PVWKKEJYYPDCND-UHFFFAOYSA-N,3,1,0.315,98,866,436.443,1.839,6,0.406,0.71,1.0,0.07033445274484271,0.06234151189089165,0.07920978685491056,0.07742786649304366,0.07232840449592215
EOS-3-07572,Cn1ccnc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cn3)n12,WHJVQILDBHKYRR-UHFFFAOYSA-N,3,1,0.264,99,968,436.443,1.839,6,0.406,0.71,1.0,0.08482112260982798,0.036615036666438214,0.02385031868960318,0.025426632855870056,0.04267827770543486
EOS-3-07573,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)cn1,ODGOLMQHMQCXQA-UHFFFAOYSA-N,3,1,0.422,44,238,430.859,3.579,5,0.416,0.78,1.0,0.4888715646631485,0.577624905763827,0.39124288945240215,0.4191282297306559,0.4692168974025084
EOS-3-07574,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C(=O)NCCOC)ns4)n23)cc1C,HGTWWDONONCKCP-UHFFFAOYSA-N,3,1,0.293,63,437,452.5,1.354,4,0.401,0.76,1.0,0.06627373038174217,0.014383866767185251,0.0058769104242341165,0.0007281886094167637,0.021815674045644575
EOS-3-07575,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,HLJPJJRIAJRURH-UHFFFAOYSA-N,3,1,0.319,8,474,431.463,3.711,6,0.419,0.77,1.0,0.07835309437324378,0.06235007881570832,0.187461448838325,0.2659516140086355,0.14852905900897814
EOS-3-07576,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,MTXCSGHBWABITK-UHFFFAOYSA-N,3,1,0.307,30,541,431.463,3.711,6,0.419,0.77,0.996,0.10195497224316359,0.043331505722705776,0.21855938592282914,0.2745613734493866,0.15960180933452128
EOS-3-07577,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,CDCFTDXELDIQOZ-UHFFFAOYSA-N,3,1,0.307,38,522,431.463,3.711,6,0.419,0.77,1.0,0.0827393598793777,0.06235864574052498,0.30919745048317454,0.3266225755602769,0.19522950791583854
EOS-3-07578,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ncn1,OQBGEVXKYKHGNV-UHFFFAOYSA-N,3,1,0.369,33,53,469.469,1.243,6,0.369,0.81,0.981,0.20887876087999452,0.06980330340620931,0.01012610513330135,0.00879823178671784,0.07440160030155576
EOS-3-07579,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(Cl)n5)n4)n23)cc1,JHPNKVVIHIJLLR-UHFFFAOYSA-N,3,1,0.505,1,268,457.881,3.58,5,0.387,0.79,0.999,0.6486875471180865,0.4454715235419094,0.46722294565142897,0.4061836063326708,0.49189140566102396
EOS-3-07580,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)cn2)cc1,BRPVENSFPMEADR-UHFFFAOYSA-N,3,1,0.346,30,668,434.438,4.24,6,0.413,0.79,1.0,0.023841751764786513,0.15530978000137072,0.6135717222945651,0.6680487972037558,0.3651930128161195
EOS-3-07582,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(F)ccc4-c4cnccn4)n23)nc1,ZSQJEOHLAIHHIN-UHFFFAOYSA-N,3,1,0.321,86,968,451.429,2.64,6,0.398,0.72,1.0,0.255028784867384,0.31853539853334245,0.21188575149064492,0.28352237680762116,0.2672430779247481
EOS-3-07583,CCn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cn4)n23)cc1,WKABUHXSUUSPOR-UHFFFAOYSA-N,3,1,0.256,98,369,448.494,3.532,6,0.397,0.8,1.0,0.07034301966965938,0.025400932081420052,0.15248269481187032,0.13749057638270168,0.09642930573641285
EOS-3-07584,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5F)cn4)n23)cc1,SHFLVFGPNBJHEZ-UHFFFAOYSA-N,3,1,0.469,89,943,456.441,2.721,5,0.387,0.77,1.0,0.7003375368377767,0.427635186073607,0.38773045027756836,0.25967205811801797,0.4438438078267425
EOS-3-07585,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)c(F)c4F)n23)nc1,DHFBBPGMTOSJGG-UHFFFAOYSA-N,3,1,0.29,82,100,470.443,3.481,6,0.419,0.8,0.997,0.1809334521280241,0.23641285724076486,0.4810499623055308,0.5600969775889246,0.36462331231581113
EOS-3-07586,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,XPAGJPGDAAHRMX-UHFFFAOYSA-N,3,1,0.329,9,498,429.447,3.767,6,0.417,0.79,1.0,0.13402953875676787,0.08405866630114454,0.427506682201357,0.4817181824412309,0.28182826742512507
EOS-3-07587,Cn1cnnc1-c1nncnc1-c1cncc2nnc(-c3nccnc3-c3cccc(F)c3)n12,WNRJZOOFZVNQTF-UHFFFAOYSA-N,3,1,0.303,39,356,452.417,2.035,6,0.39,0.74,0.757,0.11505380028784867,0.17547632101980673,0.03813994928380508,0.09756870673702968,0.10655969433212255
EOS-3-07588,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC(F)C5)cc4)n23)cc1Cl,DCWNTVRDRFNDJT-UHFFFAOYSA-N,3,1,0.349,0,862,478.915,3.702,5,0.455,0.85,1.0,0.3572150640805976,0.39495236789801935,0.654864299910904,0.6218131039681996,0.5072112089644301
EOS-3-07590,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)ncn1,TVAUOLWJDWKIJP-UHFFFAOYSA-N,3,1,0.276,10,195,435.426,3.635,6,0.39,0.78,0.581,0.005731272702350764,0.09660064423274621,0.5193269823864026,0.537034815982455,0.2896734288259887
EOS-3-07591,Cn1cncc1-c1ccc(-c2nnc3cncc(CNc4cc(F)cc(F)c4)n23)c(F)c1,QNIWTTMUCHUQNL-UHFFFAOYSA-N,3,1,0.33,45,291,435.413,4.221,5,0.448,0.75,1.0,0.3085206634226578,0.3324395175107943,0.8928192036186691,0.8809197450483175,0.6036747824001096
EOS-3-07592,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccns5)cn4)n23)cc1,JRVPAYOSRCDNPL-UHFFFAOYSA-N,3,1,0.588,89,744,429.465,2.988,5,0.44,0.74,1.0,0.42475669933520666,0.20187958330477693,0.32401823041600986,0.21297375094236173,0.2909070659995888
EOS-3-07593,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccsc5)c4)n23)cn1,WHCCUAXIJBFSDA-UHFFFAOYSA-N,3,1,0.518,2,879,429.465,2.988,5,0.44,0.74,1.0,0.41766328558700566,0.2364214241655815,0.28018984305393735,0.21850798437392913,0.2881956342951134
EOS-3-07594,Fc1cccc(-c2cncnc2-c2cncc3nnc(-c4cnc(-c5cnccn5)nc4)n23)c1,AOLIYFKUCPIWPS-UHFFFAOYSA-N,3,1,0.349,94,459,448.425,3.301,6,0.4,0.75,0.957,0.31392639298197517,0.3713847577273662,0.34606092796929616,0.42238366116098963,0.3634389349599068
EOS-3-07595,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4cccnc4C)n23)cc1,HJXFRZJSKIVDKZ-UHFFFAOYSA-N,3,1,0.479,89,731,452.478,2.89,5,0.418,0.71,1.0,0.3937272976492358,0.17548488794462339,0.17786649304365704,0.08608902748269481,0.2082919265300528
EOS-3-07596,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5ccnc(F)c5)n4)n23)nc1,VJHNTWLXWMCFDU-UHFFFAOYSA-N,3,1,0.384,46,181,443.402,1.855,5,0.388,0.74,1.0,0.4641302857926119,0.2315811116441642,0.18747001576314165,0.13749914330751833,0.25517013912685904
EOS-3-07597,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(C(C)(C)O)nc4)n23)cc1,ZRMXMTZUPVVXOR-UHFFFAOYSA-N,3,1,0.293,82,336,427.472,2.754,5,0.455,0.74,1.0,0.13403810568158453,0.06236721266534165,0.07921835377972723,0.033171132890137754,0.07719870125419778
EOS-3-07598,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cc1,AHAGBJMQMYOSBJ-UHFFFAOYSA-N,3,1,0.343,98,882,435.455,2.444,6,0.414,0.7,1.0,0.09458741690082928,0.05451990953327394,0.10064423274621342,0.09362792132136248,0.08584487012541978
EOS-3-07599,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,FYBKWOBDNXTDJW-UHFFFAOYSA-N,3,1,0.56,97,71,433.834,4.015,5,0.413,0.76,1.0,0.8770303611815503,0.9532674251250771,0.7496915907066,0.7686587622507025,0.8371620348159824
EOS-3-07600,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,AHSQCNDGTPJRKW-UHFFFAOYSA-N,3,1,0.306,52,295,465.521,3.332,6,0.409,0.79,1.0,0.1069837571105476,0.050759029538756766,0.02005517099581934,0.025435199780686726,0.0508082893564526
EOS-3-07601,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C#N)c5)n34)cc2F)nc1,OJLMOOSUSZRYMP-UHFFFAOYSA-N,3,1,0.506,16,214,438.426,3.542,5,0.409,0.76,1.0,0.9157100267288054,0.8859827976149681,0.6797512165033239,0.6005414296484134,0.7704963676238777
EOS-3-07602,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)ccc4F)n23)cc1,WQPJKTJRTNDICL-UHFFFAOYSA-N,3,1,0.534,48,378,459.403,4.278,4,0.436,0.79,1.0,0.967762661914879,0.8547563566582139,0.9788910972517305,0.927583784524707,0.9322484750873827
EOS-3-07603,COc1ccc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)cc1-c1ncc(C)cn1,AGBUNLGIFSEGJA-UHFFFAOYSA-N,3,1,0.478,7,535,440.467,3.243,5,0.392,0.8,1.0,0.4086937153039545,0.1629514769378384,0.2185679528476458,0.10180933452128024,0.22300561990267975
EOS-3-07604,Cc1c(Cc2cncc3nnc(-c4ccc(C(=O)O)cn4)n23)cccc1C(F)(F)F,BVVOQIYZDJNELK-UHFFFAOYSA-N,3,1,0.344,66,225,413.359,3.803,4,0.547,0.84,0.732,0.3663645397847988,0.28786580768967174,0.9462853813994928,0.8402953875676787,0.6102027791104105
EOS-3-07605,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,YMSNCYFPDFFECY-UHFFFAOYSA-N,3,1,0.305,64,144,434.438,4.24,6,0.413,0.81,1.0,0.016868274964018916,0.11878897950791584,0.529401685970804,0.6304057295593174,0.323866167500514
EOS-3-07606,Cc1n[nH]c(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,HHZGGZZLGKKFTH-UHFFFAOYSA-N,3,1,0.315,52,423,437.467,2.839,6,0.433,0.77,1.0,0.13934959906791858,0.054528476458090606,0.04902851072578987,0.06293262970324172,0.07645980398876019
EOS-3-07607,Cc1nc(COc2cncc3nnc(-c4cccc(-c5cc(=O)n(C)cn5)c4)n23)ncc1F,NPCZLQYTYHGKHT-UHFFFAOYSA-N,3,1,0.417,16,506,444.43,2.369,5,0.406,0.73,1.0,0.4913645397847988,0.33244808443561097,0.23654992803783154,0.19264443835240902,0.3132517476526626
EOS-3-07608,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cn(-c4ccc(F)c(F)c4)nn3)n12,HSDOIVYOSLTOFJ-UHFFFAOYSA-N,3,1,0.333,74,997,472.459,3.518,6,0.42,0.81,1.0,0.05747549859502433,0.20629154958536083,0.402157151668837,0.4907648550476321,0.28917226372421356
EOS-3-07609,CC(C)(O)c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,BHGFZUVHVNVXTR-UHFFFAOYSA-N,3,1,0.329,63,66,416.445,1.763,5,0.503,0.88,0.998,0.12861524227263382,0.1187975464327325,0.05833219107669111,0.030943732437804124,0.0841721780549654
EOS-3-07610,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncn5C)c4)n23)cc1F,QFCZECCXTSOVDA-UHFFFAOYSA-N,3,1,0.343,74,413,417.408,1.876,5,0.478,0.77,1.0,0.03072955931738743,0.10959666917963128,0.2838736207251045,0.2129823178671784,0.1592955417723254
EOS-3-07611,COc1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)ccc1C(F)F,JVAZTHLDWNTEQC-UHFFFAOYSA-N,3,1,0.393,66,455,436.344,4.137,4,0.438,0.76,1.0,0.6703961346035228,0.6445497224316359,0.9869868412034816,0.9450860119251594,0.8117546775409499
EOS-3-07612,CC1(O)CN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)C1,OVZHDCLBQKDIBW-UHFFFAOYSA-N,3,1,0.311,0,829,469.505,1.952,6,0.458,0.78,1.0,0.19493180727845932,0.08053766020149407,0.011830923171818244,0.02544376670550339,0.07818603933931875
EOS-3-07613,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)cs4)n23)cc1F,VWPLROBDXJXSLG-UHFFFAOYSA-N,3,1,0.349,96,802,465.901,4.129,5,0.401,0.84,1.0,0.21704304023027893,0.337425467754095,0.5193355493112193,0.5268573093002535,0.40016534164896167
EOS-3-07614,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nn4)n23)cc1,GAIIVLQPTSRBEP-UHFFFAOYSA-N,3,1,0.268,98,213,438.48,3.167,6,0.412,0.74,1.0,0.055659310533890755,0.07363271879925981,0.10585292303474744,0.157391542731821,0.09813412377492975
EOS-3-07615,CCOc1nc(COc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)cc(C(F)(F)F)n1,PMFUHITWDBIIED-UHFFFAOYSA-N,3,1,0.489,66,12,473.415,2.937,4,0.436,0.78,0.998,0.6765043519978069,0.49420875882393256,0.6494157357275032,0.3049996573230073,0.5312821259680625
EOS-3-07616,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)cn4)n23)cc1,BMIZCPRZAAQCPE-UHFFFAOYSA-N,3,1,0.272,25,213,450.441,3.245,6,0.376,0.79,1.0,0.13935816599273526,0.2364299910903982,0.3500959495579467,0.40619217325748747,0.2830190699746419
EOS-3-07617,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)s1,OATRAHXDDNUIIG-UHFFFAOYSA-N,3,1,0.327,52,582,453.531,4.177,6,0.429,0.8,1.0,0.08063189637447742,0.043340072647522446,0.11389726543759852,0.135057569734768,0.0932317010485916
EOS-3-07618,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)o1,BTBYEPFQZDIXBC-UHFFFAOYSA-N,3,1,0.495,89,268,428.412,2.223,5,0.43,0.73,1.0,0.4247652662600233,0.14728257144815296,0.09560688095401275,0.04613289013775615,0.17844690219998627
EOS-3-07619,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cn(C)nc5C)s4)n23)cn1,BUYFCEWNEMFYPS-UHFFFAOYSA-N,3,1,0.329,50,974,432.473,1.773,5,0.455,0.69,0.981,0.06442327462134192,0.039870468096771985,0.008352751696251114,0.002253101226783634,0.028724898910287164
EOS-3-07620,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccncc5)n34)nc2)cn1,XXSVQPMOCGOSCH-UHFFFAOYSA-N,3,1,0.291,94,967,432.451,3.106,6,0.418,0.75,1.0,0.057484065519841,0.03662360359125488,0.32044582276745937,0.30158145432115685,0.17903373654992805
EOS-3-07621,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)n1,RRHXBVYNFPYTAF-UHFFFAOYSA-N,3,1,0.319,38,63,432.451,3.106,6,0.418,0.75,1.0,0.0644318415461586,0.04713522034130629,0.20120279624426016,0.23029607292166404,0.13576648276334727
EOS-3-07622,Cn1cnc(-c2cccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)cc1=O,LYHQTYRBCNCYST-UHFFFAOYSA-N,3,1,0.59,13,15,430.855,3.998,5,0.428,0.8,1.0,0.4962391200054828,0.5536118155027071,0.6659670344733054,0.702547803440477,0.6045914433554931
EOS-3-07623,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccn4)n23)cc1,UIKDKOPOHKVPIF-UHFFFAOYSA-N,3,1,0.516,89,744,455.453,3.326,5,0.391,0.76,1.0,0.6031971763415804,0.4142279487355219,0.6135802892193818,0.4633592625591118,0.5235911692138989
EOS-3-07624,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccn(-c5cnccn5)n4)n23)c1,ICJSEAYLWJDTGJ-UHFFFAOYSA-N,3,1,0.314,39,972,436.414,3.03,6,0.414,0.72,0.986,0.0062538551161675,0.08406723322596121,0.23314029196079775,0.3233414433554931,0.1617007059146049
EOS-3-07625,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5ncc(F)cn5)cc4F)n23)cc1,KRCVBDKITFVZER-UHFFFAOYSA-N,3,1,0.4,14,357,472.459,3.262,5,0.404,0.77,1.0,0.33142005345761083,0.23643855801521485,0.3539253649509972,0.29850592831197315,0.305072476183949
EOS-3-07626,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)cn1,XSSVBSPRIWUTNG-UHFFFAOYSA-N,3,1,0.268,86,953,434.427,1.896,6,0.404,0.73,1.0,0.07233054622712631,0.023122130080186418,0.029307449797820573,0.04477074909190597,0.04238271879925982
EOS-3-07627,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)c1,NDKZFHNKDXUHPQ-UHFFFAOYSA-N,3,1,0.274,98,880,434.427,1.896,6,0.404,0.73,1.0,0.04035878281132205,0.01102563223905147,0.03286272359673772,0.06790144609690905,0.038037146186005066
EOS-3-07628,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nc(C)n[nH]5)ncc4Cl)n23)cn1,OYHANSBKMQHQCO-UHFFFAOYSA-N,3,1,0.462,55,283,433.863,3.216,5,0.448,0.73,1.0,0.640009252278802,0.6690596943321225,0.2838821876499212,0.26596018093345214,0.4647278287985745
EOS-3-07629,Fc1ncccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)n1,LCHZTMYHGHQZIU-UHFFFAOYSA-N,3,1,0.312,8,973,437.402,2.425,6,0.382,0.75,1.0,0.02845932424097046,0.17549345486944007,0.10856863820163114,0.16006442327462134,0.11814646014666576
EOS-3-07630,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nnnn5C)cc4F)n23)oc(=O)c1,VXWFWUACRIFDHB-UHFFFAOYSA-N,3,1,0.473,36,728,434.391,1.962,5,0.408,0.75,1.0,0.5188643684463026,0.49902337057089985,0.21515831677061203,0.20686553354807757,0.35997789733397306
EOS-3-07631,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)nn1,AYDJZUMDGULTFF-UHFFFAOYSA-N,3,1,0.256,98,882,435.455,2.444,6,0.414,0.71,1.0,0.018718730724419163,0.011865190871084915,0.12813549448290043,0.12218148173531629,0.0702252244534302
EOS-3-07632,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)n1,TZIBXOJELPXMPG-UHFFFAOYSA-N,3,1,0.316,98,42,435.455,2.444,6,0.414,0.71,1.0,0.1340466726064012,0.05453704338290727,0.09819409224864642,0.09363648824617915,0.09510357412103351
EOS-3-07633,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccnc4)n23)nc1,SAYYOSCJMDZLGI-UHFFFAOYSA-N,3,1,0.309,70,392,432.451,3.106,6,0.418,0.73,0.917,0.08987560825166198,0.043348639572339115,0.16487903502158865,0.18436022205469124,0.12061587622507025
EOS-3-07634,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)n1,VTSINLIIWJIVEU-UHFFFAOYSA-N,3,1,0.306,38,608,432.451,3.106,6,0.418,0.73,1.0,0.07836166129806045,0.0902696867932287,0.1978102940168597,0.18436878897950792,0.1377026077719142
EOS-3-07635,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cc1,LDYIGAQXGBIXHS-UHFFFAOYSA-N,3,1,0.321,25,581,451.429,2.64,6,0.398,0.73,1.0,0.1615893358919882,0.2620622301418683,0.1648876019464053,0.2835309437324378,0.21801752792817491
EOS-3-07636,CCc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1C,ZOCGUBQJMPIXRH-UHFFFAOYSA-N,3,1,0.384,0,862,415.472,4.36,5,0.526,0.89,1.0,0.3059934206017408,0.25195325885820025,0.5049945171681174,0.510211774381468,0.3932882427523816
EOS-3-07637,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)n(C)n1,AQWVJZQEVJDAAM-UHFFFAOYSA-N,3,1,0.319,38,608,446.478,3.414,6,0.405,0.75,1.0,0.08064046329929409,0.058572064971557807,0.12814406140771709,0.11997978205743266,0.09683409293400042
EOS-3-07638,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)nc1,CGADDVZZNAPUKF-UHFFFAOYSA-N,3,1,0.296,25,213,446.478,3.414,6,0.405,0.75,1.0,0.050716194914673426,0.06634226578027551,0.17787505996847372,0.195068878075526,0.12250059968473717
EOS-3-07639,NC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(-c5ccccn5)n4)n23)cn1,RQQAXHADKWZXTP-UHFFFAOYSA-N,3,1,0.516,11,56,438.451,2.364,5,0.409,0.75,0.991,0.454946542389144,0.21133746830237818,0.1032571448152971,0.07357275032554314,0.2107784764580906
EOS-3-07640,Cc1c(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)c(F)c2)nnn1C,RLVXTASOVGWGHP-UHFFFAOYSA-N,3,1,0.42,14,740,443.442,3.323,5,0.444,0.7,1.0,0.15349359194023712,0.08730553080666165,0.3801658556644507,0.292372010143239,0.2283342471386471
EOS-3-07641,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cn5)cnn4)n23)nc1,HWCHEBWTUUEDND-UHFFFAOYSA-N,3,1,0.402,46,128,459.857,2.37,5,0.404,0.72,1.0,0.4477331916935097,0.33743403467891164,0.23314885888561443,0.2241364539784799,0.3106131348091289
EOS-3-07642,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)nc1,ZHMAODHJFWTPTI-UHFFFAOYSA-N,3,1,0.53,4,208,434.822,3.41,5,0.414,0.72,1.0,0.6576571174011376,0.6641508464121719,0.4672315125762456,0.5069734768007675,0.5740032382975807
EOS-3-07643,Cc1cc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc(C)n1,KQWWVMNEWMRGQE-UHFFFAOYSA-N,3,1,0.34,63,505,413.485,2.876,5,0.522,0.8,0.958,0.08274792680419436,0.0277311356315537,0.03542423411692139,0.038525460900555135,0.04610718936330615
EOS-3-07644,Cc1cnnc(-c2ccc(-c3nnc4cncc(Cc5ccc(Cl)c(F)c5)n34)cn2)n1,APQIRGYQYJGXJB-UHFFFAOYSA-N,3,1,0.368,85,81,432.85,3.73,5,0.427,0.76,0.864,0.4176718525118224,0.4848451099993146,0.5530292646151738,0.6246744568569667,0.5200551709958193
EOS-3-07645,Cn1c(-c2ccc(F)cc2F)nnc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,ADHUJROJLYBTGJ-UHFFFAOYSA-N,3,1,0.35,8,7,456.42,3.317,6,0.433,0.74,1.0,0.1864419847851415,0.40012679048728667,0.3686176410115825,0.47855698718388046,0.35843585086697277
EOS-3-07646,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,ZORANRCRXSACCV-UHFFFAOYSA-N,3,1,0.354,3,39,454.885,3.488,6,0.401,0.78,1.0,0.02385031868960318,0.17970838187924063,0.3387019395517785,0.43790692892879174,0.2450418922623535
EOS-3-07648,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)nc1,VJQUJLVZPGUVDX-UHFFFAOYSA-N,3,1,0.345,94,615,450.441,3.245,6,0.402,0.73,0.981,0.20061167843191008,0.26722808580631896,0.30196696593790695,0.36221814817353165,0.2830062195874169
EOS-3-07649,Cn1ccnc1-c1ccccc1-c1nnc2cncc(-c3cccc(-c4nnnn4C)c3)n12,NBDYKNSGNTTXRB-UHFFFAOYSA-N,3,1,0.338,25,791,434.467,3.049,6,0.42,0.73,1.0,0.08711705846069495,0.03987903502158865,0.14035192927146872,0.17594750188472347,0.11082388115961896
EOS-3-07650,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)cn1,GZQCAXXKWLONDT-UHFFFAOYSA-N,3,1,0.342,86,812,434.467,3.049,6,0.42,0.73,1.0,0.12862380919745048,0.06237577959015832,0.16178637516277158,0.13506613665958467,0.12196302515249127
EOS-3-07651,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccccc4)n23)cc1,CSJIUQOBMKWAPG-UHFFFAOYSA-N,3,1,0.362,25,791,431.463,3.711,6,0.419,0.76,1.0,0.10699232403536427,0.08054622712631074,0.2544976355287506,0.3330220683983277,0.19376456377218831
EOS-3-07652,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccs5)n4)n23)cc1,ZBEGETXORSPVCY-UHFFFAOYSA-N,3,1,0.457,89,731,444.48,2.643,5,0.424,0.68,1.0,0.4336320334452745,0.2567678706051676,0.1139058323624152,0.05556507436090741,0.21496770269344115
EOS-3-07653,N#Cc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5C#CCC5)cn4)n23)c(F)c1,LSBOYVGTZJTLSF-UHFFFAOYSA-N,3,1,0.318,63,108,423.411,2.76,5,0.506,0.68,0.988,0.2141302857926119,0.22667226372421356,0.6521914193681037,0.6508378452470701,0.4359579535329998
EOS-3-07654,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(C)nc5)cn4)n23)cc1F,OIVBPDZRJVFMQS-UHFFFAOYSA-N,3,1,0.466,51,943,471.456,2.424,5,0.396,0.78,1.0,0.577187992598177,0.4001353574121034,0.28389075457473784,0.15740010965663764,0.35465355356041395
EOS-3-07655,OCc1ccc(Cl)c(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)c1,LGQXDSRFUAUCLJ-UHFFFAOYSA-N,3,1,0.317,45,46,433.834,3.595,5,0.462,0.7,1.0,0.3708621753135494,0.4807415530121308,0.8810396819957508,0.9000839558632033,0.6581818415461586
EOS-3-07656,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)cn2)no1,AKZVBIGIBOVECU-UHFFFAOYSA-N,3,1,0.321,86,812,436.439,3.007,6,0.41,0.77,1.0,0.09215441025289563,0.10305153861969707,0.08400726475224453,0.07154238914399287,0.08768890069220751
EOS-3-07657,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5nccnn5)cn4)n23)cc1,MKTHURWMQXUIPR-UHFFFAOYSA-N,3,1,0.461,51,943,440.427,1.372,5,0.411,0.69,1.0,0.5088667671852511,0.22668083064903022,0.06834692618737578,0.02911897745185388,0.20825337536837776
EOS-3-07658,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)cn1,ZIZAKAYWLJWTTQ-UHFFFAOYSA-N,3,1,0.329,70,179,449.453,3.85,6,0.403,0.81,1.0,0.13936673291755192,0.23644712494003153,0.4566256596532109,0.5235162086217532,0.3389889315331369
EOS-3-07659,NC(=O)c1ccc(-c2nnc3cncc(-c4nnn(-c5cc(F)cc(F)c5)n4)n23)c(F)c1,GMKYTDIZDSYLCA-UHFFFAOYSA-N,3,1,0.374,22,990,437.345,1.95,5,0.455,0.66,0.995,0.07035158659447605,0.2982232197930231,0.4310790898499075,0.5069820437255843,0.32665898499074775
EOS-3-07660,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc(C)n5C)cn4)n23)cc1F,FCNORQDNKJQUNK-UHFFFAOYSA-N,3,1,0.322,74,768,444.43,2.883,5,0.389,0.78,1.0,0.19229319443492565,0.24692447399081627,0.1808649167294908,0.1307741073264341,0.18771417312041672
EOS-3-07661,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cc5)nc4)n23)nn1,LLJUNAYMKFAROX-UHFFFAOYSA-N,3,1,0.38,98,507,452.417,2.035,6,0.39,0.73,0.999,0.1923017613597423,0.3617298334589816,0.0705229250908094,0.13302720855321773,0.18939543211568774
EOS-3-07662,Clc1ccccc1CCOc1cncc2nnc(-c3cncnc3-c3ncccn3)n12,BATRFRXPDLRJCJ-UHFFFAOYSA-N,3,1,0.659,75,262,430.859,3.313,5,0.404,0.75,1.0,0.7034044959221438,0.7175227880200123,0.29472791446782265,0.387739017202385,0.525848553903091
EOS-3-07663,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(C#N)cn5)cc4F)n23)cc1,AEZVOBUCGQUNFM-UHFFFAOYSA-N,3,1,0.367,62,3,465.448,4.016,5,0.417,0.85,1.0,0.4962476869302995,0.5305667877458707,0.8153399355767253,0.7025563703652937,0.6361776951545473
EOS-3-07664,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c(F)c1,KAMNZDXJHQXCGT-UHFFFAOYSA-N,3,1,0.325,25,508,453.445,2.583,6,0.4,0.7,1.0,0.20597457336714414,0.3279247481324104,0.24727571790829964,0.2985144952367898,0.269922383661161
EOS-3-07665,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,HCHGPKVDTULPKY-UHFFFAOYSA-N,3,1,0.33,52,269,466.505,3.155,6,0.409,0.81,1.0,0.22536152422726338,0.06981187033102597,0.152491261736687,0.13507470358440135,0.1456848399698444
EOS-3-07666,Cc1cc(-c2ncnn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3F)n12,XQLIZZHREAUCIU-UHFFFAOYSA-N,3,1,0.365,52,269,468.496,3.594,6,0.423,0.77,0.999,0.1668922623535056,0.2266893975738469,0.2508823932561168,0.29238057706805565,0.23421115756288124
EOS-3-07667,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)cn1,MNILMAQEYBAPBM-UHFFFAOYSA-N,3,1,0.276,76,557,433.439,2.501,6,0.412,0.71,1.0,0.08482968953464465,0.04714378726612295,0.062392913439791656,0.06461174696730862,0.06474453430196697
EOS-3-07668,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(CO)n(C)n5)nc4)n23)cc1F,CODLKZAJALXLBS-UHFFFAOYSA-N,3,1,0.324,74,413,459.445,1.64,5,0.405,0.78,1.0,0.2761805222397368,0.27743129326297034,0.1085772051264478,0.08609759440751148,0.18707165375916662
EOS-3-07669,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnsc5)c(F)c4)n23)cc1,SADDHGWDAHARFA-UHFFFAOYSA-N,3,1,0.398,62,341,456.506,4.613,6,0.417,0.86,1.0,0.20062024535672676,0.20630011651017752,0.5193441162360359,0.6035141525597971,0.38244465766568436
EOS-3-07670,Fc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)ncn2)cn1,UTIRRUHFMXKKIK-UHFFFAOYSA-N,3,1,0.325,76,368,448.425,3.301,6,0.4,0.74,1.0,0.24188712219861558,0.31854396545815916,0.35010451648276336,0.3622267150983483,0.3181905798094716
EOS-3-07671,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)ccn4)n23)nc1,SDKYJHDFJFXHLK-UHFFFAOYSA-N,3,1,0.43,33,53,444.48,2.643,5,0.424,0.69,1.0,0.3432681104790624,0.14729113837296964,0.1585823452813378,0.08092317181824413,0.1825161914879035
EOS-3-07672,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnncc4-c4ccc(F)c(F)c4)n23)cc1,QVPCVLYZDZQNOL-UHFFFAOYSA-N,3,1,0.411,62,648,443.417,3.553,5,0.456,0.68,1.0,0.2761890891645535,0.3185525323829758,0.8186724693304092,0.7686673291755192,0.5455203550133644
EOS-3-07673,Cc1cnc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)cn1,WIRXJOPICDPYJN-UHFFFAOYSA-N,3,1,0.278,33,432,450.466,2.301,6,0.427,0.69,0.988,0.06444040847097526,0.01576314166266877,0.03814851620862175,0.04886573915427318,0.04180445137413474
EOS-3-07674,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCCC6)cc5)n34)cc2)n1,BBIXHOVNAZKOAO-UHFFFAOYSA-N,3,1,0.359,52,376,461.529,4.46,6,0.393,0.86,1.0,0.07233911315194298,0.010091837434034679,0.0209975327256528,0.0755003084092934,0.04473219793023096
EOS-3-07675,Cc1cncc(-c2ncc(F)cc2-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)n1,BXWTYDKDBOJSDF-UHFFFAOYSA-N,3,1,0.285,82,974,467.468,3.045,6,0.418,0.75,0.968,0.19231032828455896,0.18374340346789117,0.07496915907066,0.12219004866013296,0.1433032348708108
EOS-3-07676,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cc4)n23)cc1,UDYINLIDRINKQA-UHFFFAOYSA-N,3,1,0.518,89,637,469.53,3.781,6,0.386,0.88,1.0,0.31880097320265915,0.13255602768830102,0.23315742581043108,0.24774689877321637,0.23306533136865193
EOS-3-07677,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)n(C)n1,PTMNNPXCHLQBAA-UHFFFAOYSA-N,3,1,0.585,89,398,440.467,2.573,5,0.43,0.71,1.0,0.3892896305942019,0.09027825371804538,0.24024227263381537,0.11537077650606538,0.20879523336303202
EOS-3-07678,CCn1nc(C)cc1-c1cc(OC)c(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)cn1,WWFDVPNJECTVIE-UHFFFAOYSA-N,3,1,0.312,74,124,468.521,3.413,5,0.406,0.82,0.999,0.16969364676855597,0.09660921115756288,0.164896168871222,0.06294119662805839,0.1235350558563498
EOS-3-07679,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cn1,MHMGEWKBTUXRBH-UHFFFAOYSA-N,3,1,0.283,10,195,435.426,3.635,6,0.417,0.72,0.965,0.015977314783085464,0.12922349393461724,0.44947227743129325,0.5204321156877527,0.27877630045918717
EOS-3-07680,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccn(C)n5)ccn4)n23)cn1,AWMNLIBIEKPJPT-UHFFFAOYSA-N,3,1,0.468,92,205,441.455,1.92,5,0.424,0.73,1.0,0.31880954012747587,0.1924045644575423,0.12541121239120007,0.04887430607908985,0.171374905763827
EOS-3-07681,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nccnn5)c4)n23)cc1,QRJCPXLHCTUIQP-UHFFFAOYSA-N,3,1,0.462,89,398,465.477,2.51,6,0.385,0.77,1.0,0.3871136316907683,0.11267219518881502,0.09115208004934548,0.09566684942772942,0.17165118908916455
EOS-3-07682,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)n1,QBOHSFWCHONYPP-UHFFFAOYSA-N,3,1,0.301,38,608,432.451,3.106,6,0.418,0.74,1.0,0.10196353916798026,0.0873140977314783,0.1978188609416764,0.18170447536152423,0.1422002433006648
EOS-3-07683,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccncc4-c4cccnc4)n23)c1,HYMGUQLGGXWGAJ-UHFFFAOYSA-N,3,1,0.327,42,213,432.451,3.106,6,0.418,0.74,1.0,0.09216297717771228,0.02540949900623672,0.23655849496264822,0.30159002124597356,0.1639302480981427
EOS-3-07684,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)nc1,LXPIQKZTJNZOEH-UHFFFAOYSA-N,3,1,0.276,98,219,453.445,2.583,6,0.4,0.71,1.0,0.1256339524364334,0.23158967856898088,0.22942224659036392,0.25679357137961756,0.21085986224384895
EOS-3-07685,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnccc4OCCCF)n23)cn1,XAQJICNSANQTJQ-UHFFFAOYSA-N,3,1,0.426,63,127,437.435,2.258,4,0.397,0.76,1.0,0.42240936193543965,0.2364556918648482,0.1372164347885683,0.06462031389212529,0.21517545062024535
EOS-3-07686,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cc1F)N1CCCC1,JRKGZAHHSBVXLQ-UHFFFAOYSA-N,3,1,0.333,52,376,465.492,4.29,6,0.393,0.86,0.996,0.09217154410252895,0.10628126927558083,0.04903707765060654,0.21585223768076212,0.11583553217736961
EOS-3-07687,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c1,MOWHYECPPWBETP-UHFFFAOYSA-N,3,1,0.517,36,895,428.416,1.055,5,0.418,0.75,1.0,0.4001010897128367,0.18375197039270783,0.0457473785210061,0.02912754437667055,0.16468199575080528
EOS-3-07688,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)c1,PGZLEIPPCKKPSU-UHFFFAOYSA-N,3,1,0.302,25,581,451.429,2.64,6,0.398,0.74,0.999,0.1256425193612501,0.2418271537248989,0.13722500171338498,0.25370947844561714,0.18960103831128777
EOS-3-07689,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nncc(-c5ccncc5)n4)n23)cc1,HLJPQENDQKHDRV-UHFFFAOYSA-N,3,1,0.333,8,42,432.451,3.106,6,0.418,0.71,1.0,0.1045079158385306,0.062384346514974987,0.2151668836954287,0.2303046398464807,0.15309094647385374
EOS-3-07690,Cn1ncnc1-c1ccc(F)c(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)c1,IZMJUOKQHHBTJX-UHFFFAOYSA-N,3,1,0.318,94,693,450.441,3.245,6,0.402,0.74,1.0,0.2116801452950449,0.25677643752998425,0.28764306764443837,0.31737029675827566,0.2683674868069358
EOS-3-07691,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)c2)n1,BJWVQBYUHWZQQP-UHFFFAOYSA-N,3,1,0.341,25,615,450.441,3.245,6,0.402,0.74,1.0,0.17496230553080666,0.2878743746144884,0.3167706120211089,0.4062007401823042,0.29645200808717703
EOS-3-07692,CNC(=O)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ccc(Cl)nc5)n4)n23)cc1,USGKHMJIFHRDGA-UHFFFAOYSA-N,3,1,0.356,74,333,431.847,2.651,5,0.419,0.76,0.992,0.17224659036392298,0.277439860187787,0.23656706188746487,0.23031320677129738,0.22914167980261807
EOS-3-07693,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccc(F)c5)n4)n23)cc1,OXIDBQLZICEMHS-UHFFFAOYSA-N,3,1,0.298,39,144,454.404,3.169,6,0.399,0.76,0.968,0.025983482968953465,0.17550202179425672,0.26512918922623535,0.44779316016722637,0.22860196353916798
EOS-3-07694,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(OC)nn5)n4)n23)cc1F,SAOPLUZSGVMURX-UHFFFAOYSA-N,3,1,0.324,74,768,458.417,1.608,5,0.412,0.71,0.879,0.48888013158796517,0.37139332465218283,0.11713556301829896,0.07926118840381056,0.26416755191556435
EOS-3-07695,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cc(F)ccc5F)n4)n23)cc1,OIHIDLBTRMUHBN-UHFFFAOYSA-N,3,1,0.333,8,973,457.408,2.508,6,0.396,0.73,1.0,0.047477897333973,0.2932458364745391,0.22564423274621342,0.3363546021520115,0.22568064217668427
EOS-3-07696,Cc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,VVLUWNZHTICACK-UHFFFAOYSA-N,3,1,0.309,30,289,431.463,3.804,6,0.418,0.76,0.646,0.030738126242204098,0.020928997327119458,0.2472842848331163,0.3015985881707902,0.1501374991433075
EOS-3-07697,Cn1c(-c2cccc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,SSBQSYGWXMEDPY-UHFFFAOYSA-N,3,1,0.381,8,474,439.418,2.573,6,0.444,0.7,0.997,0.11506236721266534,0.30320917003632375,0.10858577205126448,0.1817130422863409,0.1771425878966486
EOS-3-07698,Cn1cc(-c2csc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,XBDHECNHAHSWPB-UHFFFAOYSA-N,3,1,0.32,52,295,441.52,3.813,6,0.448,0.75,1.0,0.08483825645946132,0.058580631896374476,0.20480090466726064,0.22414502090329655,0.14309120348159826
EOS-3-07699,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1,FCPQOHCTSXGUOY-UHFFFAOYSA-N,3,1,0.517,15,482,433.863,2.652,5,0.402,0.72,1.0,0.7399595641148653,0.6593191008155712,0.14614317044753616,0.17595606880954012,0.4303444760468782
EOS-3-07700,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)nc1,NZTKZPLJSJGLJW-UHFFFAOYSA-N,3,1,0.329,38,186,437.398,3.499,6,0.408,0.74,1.0,0.33142862038242754,0.35217771228839695,0.387739017202385,0.44446919333835927,0.3789536358028922
EOS-3-07701,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)c1,VVCRHAKDDZTIDL-UHFFFAOYSA-N,3,1,0.317,10,871,435.426,3.635,6,0.417,0.73,0.372,0.015985881707902133,0.16296004386265506,0.45663422657802755,0.5268658762250702,0.29061150709341377
EOS-3-07702,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cc(F)c(F)s5)ncn4)n23)cc1,OMONPYFCDYMDBJ-UHFFFAOYSA-N,3,1,0.383,74,139,449.446,3.615,5,0.45,0.69,0.999,0.25503735179220066,0.26207079706668496,0.5887105064765952,0.4937975464327325,0.3999040504420533
EOS-3-07703,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cn4)n23)cc1,VCFMQJWHIMJNBY-UHFFFAOYSA-N,3,1,0.396,89,310,440.467,3.047,5,0.447,0.76,1.0,0.46413885271742855,0.1837605373175245,0.20833047769172777,0.08440134329381126,0.235157802755123
EOS-3-07704,c1ccc(-c2ncc(-c3nnc4cncc(-c5cnc(-c6cccnc6)nc5)n34)cn2)cc1,WTDPPVBAWVCUIN-UHFFFAOYSA-N,3,1,0.385,42,106,429.447,3.767,6,0.417,0.77,1.0,0.13155369748475088,0.09661777808237955,0.3019755328627236,0.32981803851689395,0.214991261736687
EOS-3-07705,Cc1nc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,XEPSESLUCKYLOX-UHFFFAOYSA-N,3,1,0.299,98,882,436.443,2.137,6,0.44,0.69,1.0,0.10197210609279693,0.0805547940511274,0.07053149201562607,0.06462888081694194,0.07942181824412309
EOS-3-07706,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)ns4)n23)cc1,HAGKFNPPXQRDEH-UHFFFAOYSA-N,3,1,0.54,89,398,448.468,2.545,5,0.416,0.76,1.0,0.4271811390583236,0.16296861078747174,0.043965458159139194,0.016714070317318894,0.16270731958056336
EOS-3-07707,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)c4)n23)c1F,CVRULJXFUSSTSX-UHFFFAOYSA-N,3,1,0.272,64,27,454.404,3.374,6,0.43,0.7,1.0,0.2605116167500514,0.2672366527311356,0.512353505585635,0.6098793776985814,0.41249528819135084
EOS-3-07708,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccnn5C)nn4)n23)cc1,RQHNDXDISPASPS-UHFFFAOYSA-N,3,1,0.337,74,333,414.433,1.522,5,0.463,0.84,1.0,0.022822287711603044,0.006545130559934206,0.041001302172572134,0.01841032143101912,0.022194760468782125
EOS-3-07709,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)nn1,ZLGDGTOPKBPKFJ-UHFFFAOYSA-N,3,1,0.365,85,60,424.428,1.431,5,0.442,0.69,1.0,0.07622849701871016,0.03988760194640532,0.03287129052155438,0.01903570694263587,0.042005774107326435
EOS-3-07710,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cn4)n23)cn1,LUAJZQRCKYEUDB-UHFFFAOYSA-N,3,1,0.295,52,523,469.896,3.251,6,0.416,0.77,0.884,0.1615979028168049,0.1435987937769858,0.10326571174011377,0.19265300527722568,0.15027885340278252
EOS-3-07711,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)cn4)n23)cc1,FSLYKDWFHBYWFU-UHFFFAOYSA-N,3,1,0.318,38,42,433.479,3.654,6,0.421,0.74,1.0,0.16690082927832225,0.06982043725584264,0.394986635597286,0.3393958604619286,0.24277594064834487
EOS-3-07712,CCn1nc(C)nc1-c1cccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c1,QAGSIBYBFJVZME-UHFFFAOYSA-N,3,1,0.321,61,124,442.458,3.283,5,0.446,0.69,1.0,0.1864505517099582,0.15913062846960455,0.18087348365430744,0.1789459255705572,0.17635014735110685
EOS-3-07713,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nc5)s4)n23)cc1,AHOAPJVMWJYAFC-UHFFFAOYSA-N,3,1,0.406,14,357,430.468,3.744,5,0.428,0.75,1.0,0.2032417243506271,0.18812966897402508,0.5626927558083751,0.49696730861489957,0.3627578644369817
EOS-3-07714,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)nn4)n23)cc1,OUPOEKMKAZCVEZ-UHFFFAOYSA-N,3,1,0.325,98,882,437.431,1.234,6,0.395,0.72,1.0,0.09218011102734562,0.04715235419093962,0.01528339387293537,0.01734802275375231,0.04299097046124323
EOS-3-07715,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cn1,RAKCNVIPAOOIFY-UHFFFAOYSA-N,3,1,0.297,30,179,431.463,3.711,6,0.419,0.77,0.997,0.0592402851072579,0.01884723459666918,0.2688472345966692,0.32033445274484273,0.16681730176135975
EOS-3-07716,Fc1ccc(Cc2cncc3nnc(-c4cc(F)c(-c5cncnc5)cn4)n23)cc1Cl,RJNJFIKAQPFZEY-UHFFFAOYSA-N,3,1,0.362,59,575,435.825,4.166,5,0.421,0.75,0.998,0.3779555890617504,0.44548009046672604,0.9053697484750873,0.9316873415118909,0.6651231923788636
EOS-3-07717,COc1cc(-c2cnc(C#N)cn2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,FYSLQVSHCVUMQH-UHFFFAOYSA-N,3,1,0.339,96,648,466.436,3.034,5,0.416,0.74,1.0,0.5295387567678707,0.5035038722500171,0.6797597834281406,0.5535261462545404,0.5665821396751423
EOS-3-07718,Cc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3cccc(-c4nnnn4C)c3)n12,RCVJSTMDFTXRML-UHFFFAOYSA-N,3,1,0.283,25,866,449.482,2.753,6,0.403,0.73,1.0,0.07234768007675965,0.04716092111575629,0.10586148995956411,0.11767527928174902,0.08576134260845727
EOS-3-07719,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)n1,VYOMDVRGDXZPGO-UHFFFAOYSA-N,3,1,0.307,39,176,451.429,2.64,6,0.398,0.72,0.982,0.09459598382564595,0.1668922623535056,0.07711945719964361,0.15740867658145433,0.12400409499006237
EOS-3-07720,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC)cc5F)n34)cn2)nn1,NLDUNJGNDOAMKV-UHFFFAOYSA-N,3,1,0.333,74,333,443.446,2.63,5,0.444,0.68,0.999,0.10700089096018094,0.20188815022959358,0.2048094715920773,0.15741724350627098,0.1677789390720307
EOS-3-07721,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)n2)cc1,JTESWNINPMPFRU-UHFFFAOYSA-N,3,1,0.321,10,871,436.414,3.03,6,0.414,0.71,0.808,0.02283085463641971,0.1472997052977863,0.23657562881228153,0.32982660544171066,0.18413319854704957
EOS-3-07722,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)nc2)cn1,MPTMIFHPXIVYMM-UHFFFAOYSA-N,3,1,0.341,94,714,449.453,3.85,6,0.403,0.79,1.0,0.13937529984236857,0.2519618257830169,0.5662565965321088,0.582550887533411,0.3850361524227263
EOS-3-07723,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)cn1,NKIHJPJSEYDLDG-UHFFFAOYSA-N,3,1,0.298,70,191,431.463,3.711,6,0.419,0.75,1.0,0.050724761839490096,0.062392913439791656,0.40584949626482075,0.3717874031937496,0.22268864368446303
EOS-3-07724,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)nc4)n23)cn1,FMDNIPPGLWMWGQ-UHFFFAOYSA-N,3,1,0.489,55,879,456.441,2.721,5,0.387,0.77,1.0,0.6311596189431842,0.4368960318004249,0.38406380645603455,0.26279041875128506,0.4287274689877322
EOS-3-07725,Cc1nc(-c2cccc(Cl)c2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,RCXKPBAFFJLWKI-UHFFFAOYSA-N,3,1,0.539,44,531,443.898,4.227,5,0.388,0.82,1.0,0.6400178192036187,0.6593276677403879,0.4672400795010623,0.5102203413062847,0.5692014769378384
EOS-3-07726,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4nnc(-c5ccnnc5)cc4F)n23)cc1,CNYWOVWGJDIRNR-UHFFFAOYSA-N,3,1,0.389,52,916,467.468,2.66,6,0.404,0.72,1.0,0.20888732780481117,0.16690082927832225,0.13396100335823452,0.19266157220204236,0.1756026831608526
EOS-3-07727,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)c(F)c5)n34)cn2)n1,XWVJKCRYTMDFST-UHFFFAOYSA-N,3,1,0.343,98,151,452.457,3.282,6,0.404,0.73,0.993,0.00836988554588445,0.22669796449866356,0.31677917894592555,0.305008224247824,0.2142138133095744
EOS-3-07728,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)n5)n34)cc2)nc1,GGAIRSQHXRSWRJ-UHFFFAOYSA-N,3,1,0.291,38,193,445.49,4.019,6,0.404,0.8,1.0,0.09218867795216229,0.043357206497155784,0.280198409978754,0.28048968542252073,0.1740584949626482
EOS-3-07729,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)ns4)n23)cc1,WBAZJJIWPRBUOJ-UHFFFAOYSA-N,3,1,0.394,74,837,434.872,3.124,5,0.431,0.75,1.0,0.13156226440956753,0.21134603522719483,0.17788362689329038,0.22415358782811323,0.1862363785895415
EOS-3-07730,Cc1c(F)cccc1COc1cncc2nnc(-c3ccc(-c4ncc(F)cn4)cn3)n12,MCXKDIMPRIXJGB-UHFFFAOYSA-N,3,1,0.429,46,665,431.406,3.809,5,0.418,0.79,1.0,0.8393101912137619,0.7129480501679117,0.6850541429648414,0.642228085806319,0.7198851175382084
EOS-3-07731,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccc5C)c4)n23)cc1,XECCHLZMDSOUHQ-UHFFFAOYSA-N,3,1,0.535,89,637,450.502,4.1,5,0.419,0.81,1.0,0.6142570762798986,0.20189671715441027,0.6196799396888493,0.4540127475841272,0.4724616201768213
EOS-3-07732,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)nc(C)nc5C)cn4)n23)cn1,NAXDIKUQCBLZJK-UHFFFAOYSA-N,3,1,0.329,82,974,451.494,2.99,5,0.442,0.69,1.0,0.1809420190528408,0.06240148036460832,0.07712802412446028,0.028253718045370434,0.08718131039681995
EOS-3-07733,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)n1,QLTRNKLSVAHUNL-UHFFFAOYSA-N,3,1,0.333,98,882,435.455,2.444,6,0.414,0.7,1.0,0.08988417517647865,0.07364128572407648,0.10327427866493044,0.08789664861901172,0.08867409704612433
EOS-3-07734,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)cc1,ZZVYDQLEILQNLA-UHFFFAOYSA-N,3,1,0.311,98,882,435.455,2.444,6,0.414,0.7,1.0,0.050733328764306765,0.043365773421972446,0.1339695702830512,0.1287009115208005,0.08919239599753273
EOS-3-07735,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccc(C)nn5)c4)n23)nc1,JJWQMZTUSWWCLR-UHFFFAOYSA-N,3,1,0.44,54,348,427.443,3.978,5,0.419,0.81,1.0,0.6116698649852649,0.5216229182372696,0.5855236104447947,0.506990610650401,0.5564517510794325
EOS-3-07736,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nncn5C)c4)n23)cc1,IQHBECVBAAWZOO-UHFFFAOYSA-N,3,1,0.375,67,642,434.467,3.049,6,0.42,0.72,1.0,0.10451648276334727,0.050767596463573435,0.20833904461654446,0.2213950380371462,0.14625454047015285
EOS-3-07737,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)ccc1Cl,ZSUGHPHJMCKBQO-UHFFFAOYSA-N,3,1,0.554,73,401,433.834,4.015,5,0.413,0.8,1.0,0.8530515386196971,0.9445634295113426,0.7611541361113014,0.7828198889726544,0.8353972483037488
EOS-3-07738,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)cn5)n34)nc2)nc1,HRRAOBMPDDBPHI-UHFFFAOYSA-N,3,1,0.279,10,977,435.426,3.635,6,0.417,0.76,0.99,0.07837022822287712,0.13617126996093482,0.40216571859365363,0.4444777602631759,0.26529624426016035
EOS-3-07739,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)c(F)n4)n23)nc1,SRWVPDRXFNGKLO-UHFFFAOYSA-N,3,1,0.417,90,457,459.844,2.884,4,0.423,0.68,0.987,0.5013450071962169,0.3032177369611404,0.3987046809677198,0.3552532382975807,0.38963016585566446
EOS-3-07740,Fc1ccccc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cc3)n12,KIRQUEGFOLGQHM-UHFFFAOYSA-N,3,1,0.346,64,27,447.437,3.906,6,0.4,0.78,1.0,0.23915427318209856,0.28788294153930505,0.49447433349324926,0.5885648687547118,0.40251910424234116
EOS-3-07741,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)c5)n34)nc2)ccn1,RRGVBGBAFQAMMS-UHFFFAOYSA-N,3,1,0.27,42,179,436.414,3.235,6,0.418,0.73,1.0,0.1977588924679597,0.2723768076211363,0.49804674114179975,0.5404615859091221,0.3771610067850044
EOS-3-07742,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(CNc4cc(F)cc(F)c4)n23)n1,PQDYLKKJIJKUGY-UHFFFAOYSA-N,3,1,0.34,44,291,448.412,3.981,5,0.435,0.75,1.0,0.14215098348296895,0.12585669248166678,0.6405489685422521,0.6592505654170379,0.3919518024809814
EOS-3-07743,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cc(C)ccn5)n4)n23)cc1,UERKRRCTJWCPPA-UHFFFAOYSA-N,3,1,0.455,89,731,452.478,2.89,5,0.418,0.71,1.0,0.4594184771434446,0.21613494619971216,0.20121136316907684,0.09757727366184635,0.24358551504351997
EOS-3-07744,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C(F)F)cc(F)c4F)n23)cn1,UZBRQNHQGRLZNF-UHFFFAOYSA-N,3,1,0.484,90,555,446.364,3.341,4,0.457,0.71,1.0,0.8484939346172298,0.7129566170927284,0.9159670344733054,0.8381964909875951,0.8289035192927147
EOS-3-07745,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,WWKLIJPQJCMLRG-UHFFFAOYSA-N,3,1,0.449,89,731,463.461,2.476,5,0.36,0.81,1.0,0.48636145569186484,0.2672452196559523,0.33142005345761083,0.21586080460557877,0.3252218833527517
EOS-3-07746,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ncnn5C)c4)n23)nc1,WPXTYNZDKSXAJQ-UHFFFAOYSA-N,3,1,0.427,33,760,459.445,2.06,5,0.409,0.72,0.999,0.40220855321773696,0.27744842711260365,0.23316599273524777,0.14442121855938592,0.26431104790624355
EOS-3-07747,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)s5)ccn4)n23)cc1,ROQDEKDVDLCCBE-UHFFFAOYSA-N,3,1,0.5,89,398,458.507,2.952,5,0.412,0.74,1.0,0.3755654170379001,0.192413131382359,0.12284970187101638,0.052660886848057024,0.18587228428483313
EOS-3-07748,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1)N1CC(F)(F)C1,NSVPFBKQGLTYOV-UHFFFAOYSA-N,3,1,0.344,52,376,469.455,4.006,6,0.395,0.86,1.0,0.17225515728873964,0.19702213693372628,0.3840723733808512,0.4817267493660476,0.30876910424234116
EOS-3-07749,O=C(NC1CCOCC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,DDBLXKDTEDXSPD-UHFFFAOYSA-N,3,1,0.358,0,862,482.544,3.259,6,0.437,0.9,1.0,0.1535021588650538,0.014392433692001919,0.04734939346172298,0.0997190048660133,0.078740747721198
EOS-3-07750,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncnc4-c4cccc(C(F)F)c4)n23)cc1,HDCMGPBFWWCYAK-UHFFFAOYSA-N,3,1,0.326,62,124,458.432,3.608,5,0.428,0.74,0.999,0.25008566924816666,0.17087588239325613,0.6659756013981222,0.5885734356795285,0.41887764717976833
EOS-3-07751,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)nc2)n1,KUWJLRQUUNBWCN-UHFFFAOYSA-N,3,1,0.296,98,882,435.455,2.444,6,0.414,0.73,1.0,0.08989274210129532,0.039896168871221986,0.12541977931601672,0.11998834898224933,0.09379925981769582
EOS-3-07752,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cc(-c2cnc(C)o2)n1,YPBHSYUFJUOBFT-UHFFFAOYSA-N,3,1,0.495,89,731,442.439,2.531,5,0.419,0.71,1.0,0.417680419436639,0.1669093962031389,0.12815262833253374,0.047503598108423,0.19006151052018366
EOS-3-07753,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnn6)o5)n34)cn2)ncn1,XSVQSQOQVYSDFG-UHFFFAOYSA-N,3,1,0.284,76,14,435.411,2.459,6,0.402,0.73,0.835,0.13157083133438421,0.10306010554451374,0.05646460146665753,0.05841786032485779,0.08737834966760333
EOS-3-07754,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4)n23)c1,GRILPPLWZGKFEH-UHFFFAOYSA-N,3,1,0.278,25,373,421.428,2.434,6,0.46,0.76,1.0,0.07235624700157632,0.06241004728942499,0.10859433897608115,0.135083270509218,0.09461097594407511
EOS-3-07755,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)nc5)n34)cc2)on1,WUZASTUPTXIIJB-UHFFFAOYSA-N,3,1,0.286,42,303,434.423,3.064,6,0.407,0.76,1.0,0.0994534301966966,0.09662634500719622,0.20481803851689398,0.192670139126859,0.14839198821191146
EOS-3-07757,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)n1,RWGXHLCLMPWCHF-UHFFFAOYSA-N,3,1,0.573,36,391,437.826,2.748,5,0.413,0.74,1.0,0.667115002398739,0.8124271811390583,0.38408094030566786,0.447801727092043,0.5778562127338771
EOS-3-07758,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)nn1,KLEXGSUMESZFTP-UHFFFAOYSA-N,3,1,0.31,39,972,452.417,2.035,6,0.39,0.72,0.621,0.12863237612226716,0.19242169830717565,0.042474813241038994,0.10396819957508054,0.11687427181139057
EOS-3-07759,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5cccc(Cl)n5)cn4)n23)cc1,OGUZNCDKXGPNMP-UHFFFAOYSA-N,3,1,0.337,52,453,468.908,3.856,6,0.39,0.84,1.0,0.21168871221986155,0.1797169488040573,0.19782742786649304,0.3081180179562744,0.22433777671167154
EOS-3-07760,Cn1cc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,LSECZYBEYSNOSD-UHFFFAOYSA-N,3,1,0.649,16,256,418.848,3.214,5,0.432,0.82,1.0,0.7430522239736824,0.8313772188335276,0.42006202453567265,0.4379154958536084,0.6081017407991227
EOS-3-07761,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nc(C)n[nH]5)n4)n23)cc1,MFGWLGWTYBHBQH-UHFFFAOYSA-N,3,1,0.455,89,398,441.455,2.218,5,0.409,0.77,1.0,0.4453858542937427,0.2519703927078336,0.11391439928723185,0.04614145706257282,0.21435302583784524
EOS-3-07763,Fc1cc(Cl)cnc1-c1ncnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,IWQLOWBMYLSOOP-UHFFFAOYSA-N,3,1,0.423,29,575,439.241,4.151,5,0.417,0.77,1.0,0.4315245699403742,0.7034130628469605,0.5730159002124597,0.7783822219176204,0.6215839387293537
EOS-3-07764,Cc1nc(COc2cncc3nnc(-c4cccc(-c5cc(=O)n(C)cn5)c4)n23)ccc1F,HWEANMFFMYEYKS-UHFFFAOYSA-N,3,1,0.484,4,506,443.442,2.974,5,0.412,0.75,1.0,0.45942704406826124,0.37140189157699954,0.47059831402919605,0.38436364882461793,0.42144772462476865
EOS-3-07765,Cc1cnc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,LMKLWRZRPNDQTO-UHFFFAOYSA-N,3,1,0.32,74,295,450.466,2.301,6,0.427,0.67,0.996,0.10452504968816394,0.023130697005003083,0.027088616270303612,0.038534027825371804,0.04831959769721061
EOS-3-07766,FC(F)(F)Cn1nnc(-c2ccc(-c3nnc4cncc(Br)n34)c(Cl)c2)n1,LJLKJYKBCJMHGQ-UHFFFAOYSA-N,3,1,0.554,68,861,459.617,3.423,4,0.467,0.71,1.0,0.287471729148105,0.4632393256116784,0.7448855458844493,0.7898619011719553,0.571364625454047
EOS-3-07767,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cc1F,OFWGOUDJODGDOR-UHFFFAOYSA-N,3,1,0.325,3,635,453.416,3.774,6,0.401,0.74,1.0,0.06444897539579193,0.24693304091563292,0.6106675347817148,0.6480021931327531,0.3925129360564732
EOS-3-07768,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cnc(F)nc5)n4)n23)cc1F,RXXFKOWDMIDYRN-UHFFFAOYSA-N,3,1,0.298,29,849,460.408,2.128,5,0.391,0.73,1.0,0.2956617092728394,0.2878915084641217,0.1747138647111233,0.1444297854842026,0.22567421698307175
EOS-3-07769,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5n[nH]cc5C#N)c(F)c4)n23)cn1,MFKLFPQFHBRBIO-UHFFFAOYSA-N,3,1,0.33,82,204,439.414,2.614,5,0.439,0.74,1.0,0.2473356863820163,0.3032263038859571,0.49126173668699885,0.4444863271879926,0.37157751353574126
EOS-3-07770,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccccc4)n23)cc1,YYIHLHZBJNZIGS-UHFFFAOYSA-N,3,1,0.377,9,498,432.451,3.106,6,0.418,0.73,1.0,0.1177609485299157,0.0304982523473374,0.16490473579603865,0.21299088479199507,0.1315387053663217
EOS-3-07771,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cn1,VXCHPWUPLAHUIK-UHFFFAOYSA-N,3,1,0.323,70,899,432.451,3.106,6,0.418,0.73,1.0,0.1019806730176136,0.058589198821191145,0.21857651977246248,0.23609588102254814,0.15381056815845384
EOS-3-07772,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)n1,BZUTUGQVTOHBLX-UHFFFAOYSA-N,3,1,0.278,76,259,435.455,2.444,6,0.414,0.71,0.994,0.05924885203207457,0.043374340346789116,0.0792269207045439,0.07550887533411006,0.06433974710437941
EOS-3-07773,Fc1ccc(F)c(-c2nnc3cncc(OCc4cccc(-c5cnc(F)cn5)c4)n23)c1,DIQXAFAPDLBYAK-UHFFFAOYSA-N,3,1,0.506,59,146,434.381,4.245,5,0.412,0.83,1.0,0.909841683229388,0.9118977451853882,0.922709204304023,0.9170807346994723,0.9153823418545679
EOS-3-07774,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)n1,BSQHYQIRWDEZLU-UHFFFAOYSA-N,3,1,0.324,98,746,436.443,1.839,6,0.406,0.72,1.0,0.06445754232060859,0.03663217051607155,0.03038688232472072,0.030018504557604003,0.040373774929751215
EOS-3-07775,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)n1,PYXQCDDBEHOVLG-UHFFFAOYSA-N,3,1,0.316,98,882,436.443,1.839,6,0.406,0.72,1.0,0.07036015351929271,0.043382907271605785,0.04575594544582277,0.04477931601672264,0.05106958056336097
EOS-3-07776,Cn1cc(-c2nn(C)cc2-c2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cn1,MMEMXXVCYSUMGY-UHFFFAOYSA-N,3,1,0.289,98,882,424.432,1.772,6,0.453,0.7,1.0,0.04325440339935577,0.0770423548762936,0.11113014872181481,0.09758584058666302,0.0822531868960318
EOS-3-07777,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)cc2)nn1,ZQNUURROACXECW-UHFFFAOYSA-N,3,1,0.309,42,150,452.869,3.544,6,0.399,0.75,1.0,0.02163148516208622,0.14730827222260298,0.4944829004180659,0.5340363922966213,0.2993647625248441
EOS-3-07779,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)cnn5)c4)n23)cc1,PPZHDBJTJMUKPA-UHFFFAOYSA-N,3,1,0.324,98,890,439.418,2.369,6,0.411,0.69,1.0,0.008378452470701117,0.15531834692618737,0.23317455966006442,0.26871873072441915,0.166397522445343
EOS-3-07780,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)n1,WPALZLTYANUNNO-UHFFFAOYSA-N,3,1,0.287,98,373,437.427,2.402,6,0.404,0.72,1.0,0.1588564868754712,0.11551641422794874,0.045764512370639436,0.05017647865122336,0.09257847303132069
EOS-3-07781,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1F,OEQDQZUEUCGAFO-UHFFFAOYSA-N,3,1,0.33,74,997,415.392,1.933,5,0.477,0.8,1.0,0.03584401343293811,0.11268076211363169,0.2911383729696388,0.2506682201357001,0.17258284216297717
EOS-3-07782,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nc1,DWKXJOKRIUZNBL-UHFFFAOYSA-N,3,1,0.476,13,706,439.266,4.081,5,0.416,0.82,1.0,0.6339524364334178,0.7669967788362689,0.594955794667946,0.6680573641285724,0.6659905935165513
EOS-3-07783,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c1,BNXTXTCRTLWIDT-UHFFFAOYSA-N,3,1,0.303,39,972,451.429,2.64,6,0.398,0.73,1.0,0.13157939825920087,0.1755105887190734,0.14318758138578574,0.24479130971146598,0.1737672195188815
EOS-3-07784,Cc1nn(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cn2)c1F,KCDNKVITJAYBNB-UHFFFAOYSA-N,3,1,0.343,74,768,446.421,2.939,5,0.454,0.65,1.0,0.21413885271742855,0.20630868343499417,0.40585806318963746,0.37179597011856624,0.29952539236515663
EOS-3-07785,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)nc4)n23)cc1,ZKGLBBMSGWYVMW-UHFFFAOYSA-N,3,1,0.314,52,582,422.452,3.136,6,0.45,0.8,1.0,0.12296107189363306,0.06982900418065931,0.22565279967103008,0.2659687478582688,0.17110290590089783
EOS-3-07786,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncc(C)n5)ncn4)n23)cc1,GCHWFWMIIXAALL-UHFFFAOYSA-N,3,1,0.434,89,463,454.454,1.68,5,0.402,0.71,0.999,0.4042560482489206,0.17551915564389006,0.06835549311219245,0.026249057638270165,0.16859493866081832
EOS-3-07787,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)cn2)n1,AEKHHAVNCRENBI-UHFFFAOYSA-N,3,1,0.351,98,167,451.429,2.64,6,0.398,0.75,1.0,0.16970221369337263,0.28263141662668767,0.17126139401000617,0.25371804537043385,0.2193282674251251
EOS-3-07788,CN(Cc1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)nn1)C(=O)c1ccccc1,HLRVUXRLPZXRKB-UHFFFAOYSA-N,3,1,0.333,19,776,456.897,3.569,5,0.398,0.77,1.0,0.1722637242135563,0.20190528407922692,0.14319614831060243,0.18172160921115757,0.1747716914536358
EOS-3-07789,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)nc1,TUBLNQMVAQUXMV-UHFFFAOYSA-N,3,1,0.608,73,659,434.822,3.41,5,0.414,0.72,0.997,0.9397916523884586,0.9600095949557946,0.5224967445685696,0.6035227194846138,0.7564551778493591
EOS-3-07790,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n(C)n1,HKUUEFZOYHBIEI-UHFFFAOYSA-N,3,1,0.39,52,310,466.505,3.58,6,0.407,0.83,1.0,0.30600198752655744,0.11880611335754918,0.14320471523541908,0.11041052703721473,0.16960583578918512
EOS-3-07791,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nn1C,HPEVYZVKLBGIRX-UHFFFAOYSA-N,3,1,0.62,16,32,432.875,3.523,5,0.419,0.75,0.993,0.72511308340758,0.7961414570625728,0.2294308135151806,0.2687272976492358,0.5048531629086422
EOS-3-07792,Fc1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,WESOWLMJIIJAJC-UHFFFAOYSA-N,3,1,0.37,9,7,436.414,3.234,6,0.447,0.69,1.0,0.26052018367486807,0.38097971352203414,0.4021742855184703,0.484862243848948,0.3821341066410801
EOS-3-07793,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cc2)nn1,WUMPNFAJJZOGBU-UHFFFAOYSA-N,3,1,0.329,9,98,445.49,4.019,6,0.404,0.79,1.0,0.08064903022411075,0.04716948804057296,0.36862620793639916,0.342582756493729,0.20975687067370297
EOS-3-07794,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)cc1,YMPYXOCDAACKST-UHFFFAOYSA-N,3,1,0.297,64,365,429.447,3.767,6,0.417,0.78,1.0,0.10198923994243027,0.062418614214241656,0.14943286957713658,0.21299945171681173,0.13171004386265506
EOS-3-07795,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ncccn5)cn4)n23)cn1,VAKULAIXVXHDOS-UHFFFAOYSA-N,3,1,0.56,87,796,439.439,1.759,5,0.4,0.74,1.0,0.4888886985127818,0.22670653142348024,0.07054005894044274,0.04097560139812213,0.20677772256870675
EOS-3-07796,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)nn1,OQHYSYLXPIMIBH-UHFFFAOYSA-N,3,1,0.489,4,506,430.859,3.579,5,0.39,0.79,1.0,0.5088753341100678,0.5776334726886437,0.37262696182578303,0.38774758412720167,0.4617208381879241
EOS-3-07797,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)nc1,IIAMZIDZTHVQHJ-UHFFFAOYSA-N,3,1,0.341,94,314,450.441,3.245,6,0.402,0.73,0.999,0.2605287505996847,0.3374426016037283,0.3240267973408265,0.39108868480570214,0.32827170858748544
EOS-3-07798,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c(F)c1,XMIBKMLSRBHYQQ-UHFFFAOYSA-N,3,1,0.303,42,608,450.441,3.245,6,0.402,0.73,1.0,0.15620930710712083,0.2267150983482969,0.31678774587074227,0.3298351723665273,0.2573868309231718
EOS-3-07799,COc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)s1,QOJOAUCXLQMKAP-UHFFFAOYSA-N,3,1,0.337,61,336,430.453,2.479,5,0.449,0.71,1.0,0.36179836885751493,0.1629771777122884,0.06240148036460832,0.03731752450140498,0.15612363785895417
EOS-3-07800,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)c1,BJSYLBPGLIHCLF-UHFFFAOYSA-N,3,1,0.309,52,376,461.529,4.46,6,0.393,0.88,1.0,0.03585258035775478,0.0031097937084504147,0.010691522171201425,0.056995750805290936,0.02666241176067439
EOS-3-07801,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1,DZRNUSZFDLEZGX-UHFFFAOYSA-N,3,1,0.313,98,39,438.43,2.974,6,0.417,0.72,1.0,0.01966965937906929,0.1669179631279556,0.30198409978754026,0.3654221780549654,0.21349847508738262
EOS-3-07802,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnnn4-c4ccc(F)c(F)c4)n23)cc1,VTHOKXKSQTVNGQ-UHFFFAOYSA-N,3,1,0.321,98,973,457.408,2.508,6,0.396,0.72,1.0,0.04178089233088891,0.19243026523199233,0.3019926667123569,0.40620930710712083,0.23560328284558973
EOS-3-07803,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nccnn5)nc4)n23)cc1,HBPAXMSPUKALGE-UHFFFAOYSA-N,3,1,0.478,89,863,466.465,1.904,6,0.377,0.76,1.0,0.42007059146048936,0.12586525940648344,0.029316016722637242,0.03317969981495442,0.15210789185114112
EOS-3-07805,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)nc1,OZOLCTYGWSNRKT-UHFFFAOYSA-N,3,1,0.29,10,37,439.418,2.369,6,0.411,0.7,0.778,0.004840312521417312,0.11881468028236584,0.18425741895689124,0.25067678706051677,0.1396472997052978
EOS-3-07806,Cc1noc(C)c1-c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ncn1,CHBZOMJDCDGZJA-UHFFFAOYSA-N,3,1,0.374,85,357,426.44,2.543,5,0.452,0.7,1.0,0.12864094304708382,0.08056336097594408,0.09321670893016243,0.048882873003906514,0.08782597148927422
EOS-3-07807,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1C,VSTUMAZVZPGFDS-UHFFFAOYSA-N,3,1,0.541,89,895,441.455,1.968,5,0.422,0.7,1.0,0.37557398396271674,0.09028682064286205,0.0932252758549791,0.04615002398738949,0.15130902611198682
EOS-3-07808,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cccnn5)n4)n23)nc1,KWECRTSVWSJCBN-UHFFFAOYSA-N,3,1,0.354,85,60,423.44,1.989,5,0.455,0.67,0.975,0.11776951545473237,0.030506819272154068,0.08883044342402852,0.055573641285724076,0.07317010485915976
EOS-3-07809,N#Cc1n[nH]nc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,GFEGMNYHCBFIGU-UHFFFAOYSA-N,3,1,0.633,43,909,428.843,3.68,5,0.453,0.75,1.0,0.9711551641422795,0.9600181618806113,0.7038157083133438,0.7430522239736824,0.8445103145774792
EOS-3-07810,c1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)cn5)n34)cn2)ccn1,GXZVNBDXPAYJCF-UHFFFAOYSA-N,3,1,0.311,94,165,430.435,3.162,6,0.415,0.74,1.0,0.09219724487697896,0.10306867246933041,0.3204543896922761,0.329843739291344,0.21139101158248236
EOS-3-07811,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)nc1,GKYXDKAXQKOFPP-UHFFFAOYSA-N,3,1,0.28,94,165,430.435,3.162,6,0.415,0.74,1.0,0.10199780686724694,0.09663491193201289,0.25450620245356725,0.2687358645740525,0.1804686964567199
EOS-3-07812,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(Cl)c5)cn4)n23)cc1,QYDSCLZQIIWADL-UHFFFAOYSA-N,3,1,0.551,97,943,458.869,2.975,5,0.384,0.76,1.0,0.7430607908984991,0.4585532177369611,0.41256596532108836,0.35231478308546366,0.491623689260503
EOS-3-07813,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)nn1,GJABKPLHOSGAJY-UHFFFAOYSA-N,3,1,0.303,98,882,436.443,1.839,6,0.406,0.69,1.0,0.04178945925570557,0.01732232197930231,0.039544924953738604,0.03623809197450483,0.03372369954081283
EOS-3-07814,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)cc1,CHXJMIDKAVGAHQ-UHFFFAOYSA-N,3,1,0.373,62,331,414.404,2.538,5,0.485,0.83,1.0,0.04179802618052224,0.16298574463710505,0.3987132478925365,0.36543074497978206,0.24223194092248646
EOS-3-07815,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5nnsn5)c4)n23)cc1F,BQLXAUPAUAFOPR-UHFFFAOYSA-N,3,1,0.386,85,740,433.432,1.929,5,0.444,0.66,0.996,0.19776745939277637,0.18813823589884174,0.14944143650195327,0.16264306764443837,0.17449754985950244
EOS-3-07816,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)c1,VOOYJLOPHMTBDC-UHFFFAOYSA-N,3,1,0.375,3,641,435.426,3.84,6,0.448,0.73,1.0,0.18645911863477485,0.337451168528545,0.5627013227331917,0.6131605099033651,0.42494302994996913
EOS-3-07817,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)cc1,LTTPRANUCRCKDO-UHFFFAOYSA-N,3,1,0.306,9,642,448.494,3.532,6,0.397,0.78,1.0,0.1070094578849976,0.05454561030772394,0.14321328216023577,0.1545130559934206,0.11482035158659448
EOS-3-07818,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)cc1,GQTBUAXAODCRCT-UHFFFAOYSA-N,3,1,0.286,9,642,431.463,3.711,6,0.419,0.78,1.0,0.10701802480981427,0.03664073744088822,0.3020012336371736,0.3654393119045987,0.2027748269481187
EOS-3-07819,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)n1,LLPOQEBBTUPBGP-UHFFFAOYSA-N,3,1,0.467,46,330,439.414,2.937,5,0.406,0.73,0.999,0.7430693578233157,0.544410938249606,0.43502844219039133,0.3910972517305188,0.528401497498458
EOS-3-07820,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)ccc5F)cc4F)n23)cc1,SKQNUMZBBMZWKJ-UHFFFAOYSA-N,3,1,0.366,62,3,456.456,4.467,5,0.431,0.8,1.0,0.29015317661572204,0.3185610993077925,0.8134552121170585,0.7324206702761976,0.5386475395791926
EOS-3-07821,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccn(C5CC5)n4)n23)cn1,ASGVDOCEYBEOOJ-UHFFFAOYSA-N,3,1,0.34,63,66,414.473,2.395,6,0.498,0.82,1.0,0.03586114728257145,0.036649304365704884,0.0025443766705503393,0.006399492838050853,0.02036358028921938
EOS-3-07822,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)n5)n34)cc2)c1,PCHYJQOYIZTVCN-UHFFFAOYSA-N,3,1,0.375,3,50,435.426,3.635,6,0.417,0.75,1.0,0.02846789116578713,0.22133506956342952,0.47060688095401276,0.5698718388047427,0.322570420121993
EOS-3-07823,C#Cc1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC)nc5)n34)c2)c(C)n1,DZUKUIBZPCBSPZ-UHFFFAOYSA-N,3,1,0.304,82,514,447.462,2.355,5,0.417,0.71,0.953,0.19231889520937565,0.08407580015077788,0.1842659858817079,0.09972757179082996,0.14009706325817284
EOS-3-07824,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cncnc5)nc4)n23)cc1,OPFREYVWYQIPOC-UHFFFAOYSA-N,3,1,0.289,94,761,433.439,2.501,6,0.412,0.71,1.0,0.05235247755465698,0.02541806593105339,0.18427455280652458,0.18981735316290865,0.1129656123637859
EOS-3-07825,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)nc1,HFPXBHWSXVZSND-UHFFFAOYSA-N,3,1,0.263,86,953,433.439,2.501,6,0.412,0.71,1.0,0.1201853882530327,0.03665787129052155,0.07277602631759304,0.09364505517099582,0.08081608525803577
EOS-3-07826,COc1cc(-c2nnc3cncc(-c4nc(C)nc(-c5ncccn5)n4)n23)ccc1Cl,GZJCCJZDZXSWOQ-UHFFFAOYSA-N,3,1,0.354,50,261,431.847,3.071,5,0.423,0.7,1.0,0.420079158385306,0.48950551709958195,0.11113871564663148,0.1330357754780344,0.2884397916523885
EOS-3-07827,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ncc(Cl)cn5)n[nH]4)n23)cc1F,CDDWQTIRLPTLOK-UHFFFAOYSA-N,3,1,0.568,73,963,440.801,3.482,5,0.446,0.74,1.0,0.739968131039682,0.563129668974025,0.7192533068329793,0.7711603042971695,0.6983778527859639
EOS-3-07828,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccnc5F)c4)n23)cc1,PRBQDXCYOIWHBX-UHFFFAOYSA-N,3,1,0.333,62,302,450.477,4.552,6,0.397,0.86,1.0,0.2712374066205195,0.22134363648824618,0.5696148310602426,0.6393924336920019,0.42539707696525253
EOS-3-07829,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cc4F)n23)cn1,HCZFWGKCEYCKKF-UHFFFAOYSA-N,3,1,0.28,98,615,438.43,3.178,6,0.449,0.7,1.0,0.2170516071550956,0.2826399835515043,0.3765506133918169,0.4062178740319375,0.3206150195325886
EOS-3-07830,Cn1nnc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,GKNUSXNFEUFUIK-UHFFFAOYSA-N,3,1,0.551,43,258,461.873,2.313,5,0.406,0.75,1.0,0.654710095264204,0.5352100609965047,0.2802069769035707,0.2506853539853334,0.43020312178740316
EOS-3-07831,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)ccn4)n23)cc1,DXVJOXZFFKVMKG-UHFFFAOYSA-N,3,1,0.489,89,731,454.494,2.834,5,0.42,0.72,0.999,0.4154273182098554,0.1513175930368035,0.2545147693783839,0.10181790144609691,0.23076939551778494
EOS-3-07832,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ncn1,WCOFPGPLCDTBAV-UHFFFAOYSA-N,3,1,0.426,89,463,468.481,1.848,6,0.379,0.83,1.0,0.3085292303474745,0.09963333561784662,0.026017750668220135,0.02361901171955315,0.1144498320882736
EOS-3-07833,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)nc4)n23)nc1,JMJALUOWEVNNHO-UHFFFAOYSA-N,3,1,0.358,33,647,423.44,1.989,5,0.455,0.66,0.915,0.12565108628606675,0.025426632855870056,0.12542834624083338,0.07743643341786033,0.08848562470015763
EOS-3-07834,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cn1)N1CC(F)(F)C1,NZWFEKMXVMYIQQ-UHFFFAOYSA-N,3,1,0.316,82,523,470.443,3.401,6,0.397,0.83,0.139,0.18646768555959153,0.192438832156809,0.24729285175793297,0.36854910561304915,0.24868711877184568
EOS-3-07835,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncccn5)ncc4Cl)n23)cn1,RKIIAMVYCVWZIE-UHFFFAOYSA-N,3,1,0.472,55,242,430.859,3.579,5,0.416,0.79,1.0,0.7809780001370707,0.812435748063875,0.4091477623192379,0.3939157699952025,0.5991193201288465
EOS-3-07836,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)cc2)n1,PNTWOGQMEPNGCW-UHFFFAOYSA-N,3,1,0.291,98,369,435.455,2.444,6,0.414,0.72,1.0,0.10945103145774793,0.058597765746007814,0.09116064697416215,0.0879052155438284,0.08677866493043658
EOS-3-07837,Cn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,URSJAEXLXVFRGS-UHFFFAOYSA-N,3,1,0.283,8,957,437.492,3.772,6,0.414,0.8,0.998,0.0284764580906038,0.050776163388390104,0.11714412994311561,0.18437735590432458,0.09519352683160852
EOS-3-07838,Fc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nc1,SCPLKXLHUYVMDX-UHFFFAOYSA-N,3,1,0.402,73,775,435.81,2.805,5,0.41,0.7,1.0,0.5500736755534233,0.7313412377492975,0.3128897950791584,0.3911058186553355,0.49635263175930366
EOS-3-07839,Cn1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nn2)n1,FJRJTUPBQBPJJT-UHFFFAOYSA-N,3,1,0.333,98,882,436.443,1.839,6,0.406,0.7,1.0,0.04612432321293948,0.030515386196970737,0.042483380165855664,0.040984168322938795,0.04002681447467617
EOS-3-07840,Fc1ccnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,ISBGBMLHLOKWCY-UHFFFAOYSA-N,3,1,0.549,4,401,433.834,4.015,5,0.413,0.75,1.0,0.7837536837776712,0.9286289493523405,0.685062709889658,0.7557569734768008,0.7883005791241177
EOS-3-07841,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,QXDIOYMTRNRJJV-UHFFFAOYSA-N,3,1,0.593,97,232,433.834,4.015,5,0.413,0.75,1.0,0.9471249400315263,0.9609091220615448,0.7904444520594888,0.8053766020149408,0.8759637790418752
EOS-3-07842,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ncc(-c5ccncc5)cn4)n23)cc1,RSQPVRZMQLTGLK-UHFFFAOYSA-N,3,1,0.282,94,106,429.447,3.767,6,0.417,0.8,0.923,0.10702659173463094,0.03666643821533822,0.30920601740799125,0.38137379206360084,0.20856820985539032
EOS-3-07843,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)cn1,DNEWEOWHJABKEK-UHFFFAOYSA-N,3,1,0.68,59,294,435.85,3.958,5,0.415,0.8,1.0,0.6516859708039202,0.6396066068124187,0.8368000822424783,0.8164022342539922,0.7361237235282023
EOS-3-07844,CCOc1ncc(-c2nnc3cncc(Cc4cccc(-c5ccnc(CC)n5)c4)n23)cn1,GEGXPKSFDLTJQZ-UHFFFAOYSA-N,3,1,0.306,85,290,438.495,3.59,5,0.38,0.84,1.0,0.25770166541018436,0.1292320608594339,0.11114728257144815,0.06791001302172572,0.14149775546569804
EOS-3-07845,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c(F)c1,TVFMIRKTOIUMDF-UHFFFAOYSA-N,3,1,0.282,70,219,451.429,2.64,6,0.398,0.71,1.0,0.15084641217188677,0.24694160784044958,0.24373757795901582,0.29538756767870605,0.23422829141251456
EOS-3-07846,Cc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(C(N)=O)s5)n34)c2)cc1F,VZOAQQGFEOPBPM-UHFFFAOYSA-N,3,1,0.296,82,859,430.468,4.128,5,0.462,0.77,0.958,0.11777808237954904,0.15532691385100406,0.5696233979850592,0.5666506750736755,0.35234476732232195
EOS-3-07847,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nc1,VXPIBNCJQXXZSN-UHFFFAOYSA-N,3,1,0.535,89,926,427.428,1.66,5,0.432,0.73,1.0,0.42477383318483997,0.15913919539442123,0.13723356863820163,0.07358131725035981,0.19868197861695566
EOS-3-07848,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)nc5)n4)n23)cc1F,SOJLFYLXQPVEDA-UHFFFAOYSA-N,3,1,0.337,74,413,461.848,2.857,5,0.405,0.73,0.998,0.27372181481735314,0.3081951202796244,0.39872181481735314,0.42549345486944007,0.3515330511959427
EOS-3-07849,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cn1,HOZVKTSJCRFDHV-UHFFFAOYSA-N,3,1,0.293,70,957,432.451,3.106,6,0.418,0.74,0.982,0.0539716263450072,0.017330888904118977,0.21858508669727914,0.23610444794736482,0.13149801247344253
EOS-3-07850,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1,PKFBCYGPJWGDGU-UHFFFAOYSA-N,3,1,0.312,42,213,432.451,3.106,6,0.418,0.74,1.0,0.07623706394352683,0.08057192790076075,0.28021554382838737,0.33940442738674526,0.19410724076485505
EOS-3-07851,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)n1,FEKPRPMTCSDVEO-UHFFFAOYSA-N,3,1,0.3,38,725,432.451,3.106,6,0.418,0.74,1.0,0.09946199712151327,0.07705092180111027,0.22566136659584676,0.26597731478308545,0.16703790007538893
EOS-3-07852,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)c(F)c4)n23)c1,GUDQBYLLDLSGMI-UHFFFAOYSA-N,3,1,0.362,93,228,448.465,4.455,6,0.396,0.86,1.0,0.23916284010691521,0.28790007538893836,0.6077119457199643,0.6997721197998766,0.4586367452539236
EOS-3-07853,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(F)c6)n5)n34)cc2)n1C,VOSHEFKRSQAGAG-UHFFFAOYSA-N,3,1,0.318,3,973,452.457,3.282,6,0.404,0.72,1.0,0.06837262696182578,0.23159824549379754,0.22566993352066342,0.2687444314988692,0.19859630936878897
EOS-3-07854,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)cc1,HKLNJEYENZMJLN-UHFFFAOYSA-N,3,1,0.327,25,791,446.478,3.589,6,0.395,0.78,1.0,0.15085497909670345,0.09964190254266328,0.1006527996710301,0.17338599136453978,0.13113391816873415
EOS-3-07855,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(C)cn5)c4)n23)nc1,PLYAMQVZFDTINP-UHFFFAOYSA-N,3,1,0.412,33,348,470.468,3.029,5,0.402,0.77,1.0,0.537086217531355,0.28790864231375507,0.42007059146048936,0.2804982523473374,0.3813909259132342
EOS-3-07856,NC(=O)c1ccc(-c2nnc3cncc(Oc4nc(-c5ccc(F)cn5)ncc4Cl)n23)cn1,SIKZOGGTNSAFKO-UHFFFAOYSA-N,3,1,0.398,73,930,463.82,2.722,5,0.415,0.72,1.0,0.7124683023781784,0.5776420396134604,0.1907854156671921,0.2039613460352272,0.42121427592351457
EOS-3-07857,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)cn1,DSKWGXIZHWXWPV-UHFFFAOYSA-N,3,1,0.341,94,515,449.453,3.85,6,0.403,0.8,1.0,0.2141474196422452,0.32793331505722706,0.5159259132341855,0.5404701528339387,0.3996192001918991
EOS-3-07858,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5)n4)n23)cc1,BLFBRNRDPSLTNW-UHFFFAOYSA-N,3,1,0.352,67,642,432.451,3.106,6,0.418,0.71,1.0,0.12296963881844973,0.05860633267082448,0.15535261462545405,0.2098125556850113,0.13668528544993488
EOS-3-07859,Cc1cnc(-n2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)cn1,QNVQEAZWMASYFI-UHFFFAOYSA-N,3,1,0.511,89,731,427.428,1.753,5,0.432,0.73,1.0,0.27619765608937014,0.1222328832842163,0.14615173737235282,0.06791857994654239,0.1531252141731204
EOS-3-07860,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncn5C)ncn4)n23)cc1,PUUVRSSNIWRYIN-UHFFFAOYSA-N,3,1,0.448,89,463,441.455,1.92,5,0.424,0.69,1.0,0.42944280720992395,0.17552772256870675,0.18088205057912413,0.07551744225892673,0.2153425056541704
EOS-3-07861,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)cc2)nn1,NZDIPNVIUPEYMS-UHFFFAOYSA-N,3,1,0.281,64,495,444.462,3.471,6,0.402,0.75,1.0,0.08484682338427799,0.05078473031320677,0.14036049619628538,0.17339455828935646,0.11234665204578165
EOS-3-07862,Cc1coc(-c2cnc(-c3cncc4nnc(-c5cnc(-c6cncc(F)c6)nc5)n34)nc2)n1,QVGUZIVAXHTPOV-UHFFFAOYSA-N,3,1,0.306,86,459,452.413,3.203,6,0.392,0.74,1.0,0.3007504626139401,0.3133352751696251,0.16804879720375573,0.1759646357343568,0.23952479268041946
EOS-3-07863,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)cc1,NXISLCYKICCBEE-UHFFFAOYSA-N,3,1,0.359,62,139,413.466,3.336,5,0.485,0.87,1.0,0.17796072921664038,0.09664347885682956,0.3387105064765952,0.2419385237475156,0.21381330957439518
EOS-3-07865,N#Cc1ncc(-c2nnc3cncc(Oc4cnc(-c5ccccc5Cl)nn4)n23)cn1,ZDADISDVORUVKX-UHFFFAOYSA-N,3,1,0.43,51,412,428.803,2.751,5,0.419,0.74,1.0,0.6311681858680008,0.6985556164759098,0.265137756151052,0.3394129943115619,0.4835686382016311
EOS-3-07866,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)nc4)n23)cc1,RZTRQJMCOXANGK-UHFFFAOYSA-N,3,1,0.548,89,398,469.53,3.781,6,0.386,0.84,0.999,0.4176889863614557,0.1436073607018025,0.17789219381810706,0.17340312521417311,0.22814791652388458
EOS-3-07867,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cn1,PAUXUSIOENYDTG-UHFFFAOYSA-N,3,1,0.667,84,56,431.887,3.862,5,0.406,0.79,1.0,0.8088633404153245,0.7752809951339867,0.5855321773696114,0.5854979096703448,0.6887936056473167
EOS-3-07868,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)nc4)n23)s1,KFCOIYHCWVUODJ-UHFFFAOYSA-N,3,1,0.322,10,693,456.47,3.604,6,0.427,0.75,0.937,0.1562178740319375,0.30323487081077377,0.15249982866150366,0.2390857377835652,0.21275957782194505
EOS-3-07869,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)nc1,HNIZDOGRXDYCAC-UHFFFAOYSA-N,3,1,0.324,9,867,429.447,3.767,6,0.417,0.77,1.0,0.17227229113837297,0.11268932903844836,0.48809197450483177,0.48173531629086425,0.31369722774312936
EOS-3-07870,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(Cl)cc(Cl)c4Cl)n23)cc1F,UYAQNIYQFIHWJP-UHFFFAOYSA-N,3,1,0.38,23,129,450.688,4.917,4,0.45,0.84,1.0,0.39795079158385305,0.4409396203138921,0.9555547940511274,0.9716777465560962,0.6915307381262422
EOS-3-07871,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cncc(F)c5)n4)n23)c(F)c1,AAAQRUURUZLJEJ-UHFFFAOYSA-N,3,1,0.378,50,155,430.378,2.687,5,0.465,0.65,0.992,0.257710232335001,0.25197895963265027,0.5887190734014118,0.5825594544582277,0.42024192995682275
EOS-3-07872,Cn1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)cn1,XQZPBNKXUVLPSU-UHFFFAOYSA-N,3,1,0.476,73,399,422.811,3.567,5,0.437,0.83,1.0,0.6142656432047152,0.7670053457610856,0.6850712768144747,0.6738229045301899,0.6850412925776164
EOS-3-07873,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cn5)n4)n23)cc1,XYPDBSYCVQEOLR-UHFFFAOYSA-N,3,1,0.467,89,408,473.884,2.63,5,0.395,0.78,1.0,0.5828164622027278,0.5035124391748338,0.1779007607429237,0.1350918374340347,0.34983037488862995
EOS-3-07874,Fc1cccc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5cccnc5)n34)nn2)c1,HKRPFFBKKBROQI-UHFFFAOYSA-N,3,1,0.277,10,37,437.402,2.425,6,0.409,0.7,0.887,0.0033325337536837777,0.06983757110547598,0.16805736412857242,0.2863580289219382,0.1318963744774176
EOS-3-07875,CCOc1cccc(F)c1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3F)n12,CTJVAWOVQMCIPL-UHFFFAOYSA-N,3,1,0.402,61,917,434.41,3.326,5,0.419,0.76,1.0,0.3594338976081146,0.4543554245767939,0.477357617709547,0.5037865807689672,0.4487333801658557
EOS-3-07876,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cn2)cn1,ATLDGOMUSMEQBJ-UHFFFAOYSA-N,3,1,0.315,42,762,433.479,3.654,6,0.421,0.74,1.0,0.06446610924542526,0.05079329723802344,0.42751524912617367,0.35868000822424784,0.22536366595846755
EOS-3-07877,Cn1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)n1,RBNCXNLXSQHBBN-UHFFFAOYSA-N,3,1,0.473,36,677,445.418,1.799,5,0.417,0.7,1.0,0.5013535741210335,0.43690459872524157,0.21859365362209582,0.15452162291823726,0.32784336234665207
EOS-3-07878,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cc4)n23)cc1,ZWTUMRWAGAHEPZ-UHFFFAOYSA-N,3,1,0.387,83,472,423.451,4.624,5,0.458,0.87,1.0,0.2929374271811391,0.3473888013158796,0.8478599821807964,0.8181584538414091,0.576586166129806
EOS-3-07879,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5)cn4)n23)cc1Cl,OIXBJPBQLUWMOO-UHFFFAOYSA-N,3,1,0.457,16,943,472.896,3.235,5,0.4,0.82,1.0,0.5946645192241793,0.5352186279213214,0.3912514563772188,0.33942156123637857,0.46513904118977445
EOS-3-07880,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)n5)n34)cc2)no1,NXTIDIBOIQPNCW-UHFFFAOYSA-N,3,1,0.303,98,865,436.439,3.007,6,0.41,0.72,1.0,0.1177866493043657,0.07364985264889315,0.0727845932424097,0.07155095606880954,0.08394301281611952
EOS-3-07881,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,SHCCQPKRSNKBFG-UHFFFAOYSA-N,3,1,0.345,30,979,431.463,3.711,6,0.419,0.77,0.999,0.07236481392639298,0.08058049482557741,0.16491330272085533,0.22140360496196285,0.13481555410869714
EOS-3-07882,Cn1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)c2)n1,QDSOHZARWAZBBW-UHFFFAOYSA-N,3,1,0.255,94,170,431.463,3.711,6,0.419,0.77,1.0,0.029513055993420603,0.020937564251936124,0.4706154478788294,0.4507401823041601,0.24295156260708656
EOS-3-07883,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)nn4C)n23)nc1,BPUDPFLOYGMIRR-UHFFFAOYSA-N,3,1,0.303,98,979,434.467,3.049,6,0.42,0.74,1.0,0.02283942156123638,0.03667500514015489,0.08142862038242753,0.09365362209581249,0.05864916729490782
EOS-3-07885,NCc1cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1Cl,YHXSKBDGNOYIFS-UHFFFAOYSA-N,3,1,0.551,90,281,416.819,3.198,4,0.519,0.72,1.0,0.8438506613665958,0.7541292577616339,0.860376259337948,0.8725412925776164,0.8327243677609485
EOS-3-07886,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4ncc(F)cn4)n23)c1,LYCNYQXOTDKMCP-UHFFFAOYSA-N,3,1,0.303,25,213,451.429,2.64,6,0.398,0.72,1.0,0.1643307518333219,0.17972551572887396,0.10860290590089781,0.16780035638407237,0.1551148824617915
EOS-3-07887,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(C)nc4-c4ncn(C)n4)n23)c(F)c1,XAUGCEHEUFLLCU-UHFFFAOYSA-N,3,1,0.34,50,413,432.423,1.486,5,0.457,0.64,0.995,0.13405523953121787,0.20631725035981086,0.07923548762936057,0.05404016174354054,0.11841203481598246
EOS-3-07889,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,USFBPZDCBKUOLA-UHFFFAOYSA-N,3,1,0.299,70,723,432.451,3.106,6,0.418,0.72,1.0,0.08485539030909464,0.039904735796038655,0.23318312658488108,0.24775546569803303,0.15142467959701184
EOS-3-07890,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)nn4)n23)cc1C#N,PAFBETHCFMWZAZ-UHFFFAOYSA-N,3,1,0.352,74,139,451.425,2.681,5,0.412,0.72,0.999,0.2141559865670619,0.17973408265369062,0.5463556301829895,0.472765746007813,0.35325286135288875
EOS-3-07891,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,BPNJTFKTYULLHC-UHFFFAOYSA-N,3,1,0.725,48,378,451.889,4.256,5,0.425,0.78,1.0,0.8883472688643684,0.6114813926392982,0.5530378315399904,0.662420327599205,0.6788217051607156
EOS-3-07892,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)nc2)n1C,BVPWDQHNFHJFLW-UHFFFAOYSA-N,3,1,0.257,98,213,449.482,2.753,6,0.403,0.73,1.0,0.08712562538551162,0.07705948872592694,0.10066136659584675,0.0917089301624289,0.08913885271742855
EOS-3-07893,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)ccn1,BOFCMDBWIISORI-UHFFFAOYSA-N,3,1,0.573,36,391,436.838,3.353,5,0.417,0.73,1.0,0.8034747447056405,0.8578661503666644,0.5730244671372764,0.6159190596943321,0.7125711054759782
EOS-3-07894,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C(F)F)cc4)n23)cc1,BFICKMQLNOJLFV-UHFFFAOYSA-N,3,1,0.4,9,558,432.39,4.415,5,0.442,0.82,1.0,0.1837091357686245,0.09343944897539579,0.8368086491672949,0.7242049893770133,0.45954055582208214
EOS-3-07895,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)nn1,QKMBBSFIMONOTF-UHFFFAOYSA-N,3,1,0.295,10,748,436.414,3.03,6,0.414,0.71,0.999,0.003692344595983826,0.08058906175039408,0.2083476115413611,0.3586885751490645,0.1628293982592009
EOS-3-07896,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccc5)c4)n23)c(OC)c1,BGEORUSEOALRQV-UHFFFAOYSA-N,3,1,0.393,79,366,435.487,4.494,5,0.44,0.84,1.0,0.3639315331368652,0.12587382633130012,0.6685799465423892,0.5535347131793571,0.4279800047974779
EOS-3-07897,Cc1ccc(F)c(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)nc2)n1,XPFSPDMFBLIUNV-UHFFFAOYSA-N,3,1,0.489,4,205,456.441,2.769,5,0.412,0.74,1.0,0.5243729011034199,0.3571979302309643,0.3020098005619903,0.2130080186416284,0.3491471626345007
EOS-3-07898,COCCNC(=O)c1ccc(-c2nnc3cncc(-c4nc(OC(F)F)n(C)n4)n23)nc1,IGDRCLQDBPKKSD-UHFFFAOYSA-N,3,1,0.298,63,108,445.39,0.959,4,0.394,0.77,0.653,0.16971078061818928,0.07706805565074361,0.04397402508395586,0.020355013364402715,0.07777696867932286
EOS-3-07899,Cc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5Cl)n34)cn2)c1,WIBHDWBDSBFJDR-UHFFFAOYSA-N,3,1,0.385,96,837,441.882,3.976,5,0.451,0.71,1.0,0.17228085806318963,0.27238537454595296,0.5791583853060106,0.5825680213830443,0.4015981598245494
EOS-3-07900,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)nc4)n23)cc1,HZNXQSBXTHFVSX-UHFFFAOYSA-N,3,1,0.457,89,707,466.465,1.904,6,0.377,0.77,1.0,0.4294513741347406,0.12588239325611678,0.04249194709067233,0.04751216503323967,0.16133446987869235
EOS-3-07901,COCc1ccnc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)c1,IFDHUQMYUQHJPJ-UHFFFAOYSA-N,3,1,0.482,68,457,416.363,3.326,4,0.476,0.82,1.0,0.712476869302995,0.48485367692413134,0.9383095743951751,0.794488040572956,0.7325320402988144
EOS-3-07902,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ccc(-c4cccnn4)nc3)n12,VMNJUBTUVGTEHQ-UHFFFAOYSA-N,3,1,0.324,14,740,422.452,2.641,5,0.461,0.69,0.997,0.14480673017613596,0.039913302720855325,0.26166815160030155,0.18173017613597423,0.15702959015831677
EOS-3-07903,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)cc1)N1CCCC1,JHRDRDCJYOMXQU-UHFFFAOYSA-N,3,1,0.378,52,376,452.543,4.818,6,0.391,0.91,1.0,0.06282982660544172,0.025435199780686726,0.018316085258035776,0.09759440751147969,0.05104387978891098
EOS-3-07904,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nn1,SPIXRKWQYGDGCB-UHFFFAOYSA-N,3,1,0.472,72,482,445.874,3.017,5,0.388,0.72,1.0,0.7124854362278117,0.7795473236926873,0.164921869645672,0.20080871770269343,0.4644408368172161
EOS-3-07905,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)c1,LKJQTCZEYBQQAI-UHFFFAOYSA-N,3,1,0.315,98,765,435.455,2.444,6,0.414,0.7,1.0,0.08065759714892742,0.047178054965389626,0.09323384277979577,0.1060499623055308,0.08177986429991091
EOS-3-07906,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c1,GYQYEVOHSVVBMA-UHFFFAOYSA-N,3,1,0.315,98,882,435.455,2.444,6,0.414,0.7,1.0,0.05925741895689123,0.027739702556370364,0.13105681584538414,0.13078267425125076,0.08720915290247414
EOS-3-07907,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cc1)N1CCCCC1,IZTNHVMQRXTGMO-UHFFFAOYSA-N,3,1,0.374,52,376,461.529,4.541,6,0.39,0.88,1.0,0.02952162291823727,0.006553697484750874,0.011839490096634911,0.0755260091837434,0.030860204920841613
EOS-3-07908,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cn5)n34)nc2)cn1,RQTRNPVYIFELTQ-UHFFFAOYSA-N,3,1,0.253,86,652,434.467,3.049,6,0.42,0.72,1.0,0.04326297032417244,0.03368514837913782,0.25089096018093343,0.20687410047289426,0.13367829483928448
EOS-3-07909,Cc1ccc(-c2nnc3cncc(Cc4c(OCC(F)(F)F)ncn(C)c4=O)n23)cc1,VTKJVIPOYDYPCR-UHFFFAOYSA-N,3,1,0.411,66,225,430.39,2.725,4,0.484,0.69,1.0,0.41769755328627234,0.3903262284970187,0.6715269686793228,0.5471095195668563,0.5066650675073676
EOS-3-07910,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncc(F)c5)cn4)n23)c(F)c1,YQGWLXWVGUXAOE-UHFFFAOYSA-N,3,1,0.378,14,81,443.417,3.216,5,0.446,0.65,1.0,0.29294599410595573,0.2774569940374203,0.7086817216092112,0.6830152148584744,0.49052498115276544
EOS-3-07911,COc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)nn1C,MJGQYSQIOKKBQC-UHFFFAOYSA-N,3,1,0.298,52,974,467.493,2.55,6,0.404,0.81,1.0,0.18095058597765745,0.11882324720718251,0.0410098690973888,0.03318826673977109,0.09349299225549997
EOS-3-07912,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnc(C)n5C)c4)n23)cn1,BGQQWDJNAKKOPQ-UHFFFAOYSA-N,3,1,0.524,36,250,430.447,3.317,5,0.422,0.81,1.0,0.5661709272839421,0.54936262079364,0.30201836748680694,0.2596806250428346,0.41930813515180587
EOS-3-07913,CONC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cn(C)nn5)cn4)n23)cn1,URIVJDCOYGCQDW-UHFFFAOYSA-N,3,1,0.322,50,918,429.404,0.73,5,0.396,0.75,1.0,0.1643393187581386,0.07707662257556028,0.02932458364745391,0.009723459666917964,0.07011599616201768
EOS-3-07914,CCOC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F,RPQDQUVBPWSDIZ-UHFFFAOYSA-N,3,1,0.74,48,378,440.862,4.382,4,0.397,0.84,1.0,0.9238314714550065,0.857874717291481,0.7704749503118361,0.7242135563018299,0.8190986738400383
EOS-3-07915,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cc1,PZKPINOYIBSUIH-UHFFFAOYSA-N,3,1,0.566,43,402,438.373,2.978,5,0.389,0.79,1.0,0.7280515386196971,0.7752895620588034,0.7372095812487149,0.7377749982866151,0.7445814200534576
EOS-3-07916,Cn1nnnc1-c1ccccc1COc1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,OLSUFCNNJBLDSS-UHFFFAOYSA-N,3,1,0.523,43,402,445.418,1.799,5,0.417,0.73,1.0,0.5771965595229936,0.3856229867726681,0.1978359947913097,0.18694743334932493,0.33690074360907407
EOS-3-07917,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)n1,ODQKTFKUWKOPRF-UHFFFAOYSA-N,3,1,0.338,10,952,437.402,2.425,6,0.409,0.71,1.0,0.0372575560276883,0.15914776231923788,0.11392296621204852,0.1926787060516757,0.12575174765266262
EOS-3-07918,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)n2)cc1,ZQMPFJHXGCYVTI-UHFFFAOYSA-N,3,1,0.286,10,952,437.402,2.425,6,0.409,0.71,0.988,0.021640052086902884,0.1553354807758207,0.11115584949626482,0.20396991296004385,0.12302532382975807
EOS-3-07919,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5cnccn5)n4)n23)cc1,DDCWGQFKGRCIAJ-UHFFFAOYSA-N,3,1,0.305,39,527,437.402,2.425,6,0.409,0.71,0.992,0.020680556507436092,0.11269789596326503,0.11393153313686519,0.19787882941539306,0.11129720375573984
EOS-3-07920,c1ccc(-c2cncnc2-c2nnc3cncc(-c4cnc(-c5ccnnc5)nc4)n23)cc1,ULMNNERZLWRPFQ-UHFFFAOYSA-N,3,1,0.266,94,342,430.435,3.162,6,0.415,0.77,1.0,0.12565965321088343,0.06984613803029265,0.2437461448838325,0.29852306216160646,0.18444374957165377
EOS-3-07921,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)nn1,TUPKXVZYBMMWEN-UHFFFAOYSA-N,3,1,0.516,19,159,427.443,3.712,5,0.408,0.78,1.0,0.5974145020903296,0.5493711877184566,0.5159344801590021,0.4907734219724488,0.5383733979850593
EOS-3-07922,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,VIQFJYHJHRZAEM-UHFFFAOYSA-N,3,1,0.321,10,118,435.426,3.635,6,0.417,0.74,0.927,0.043271537248989106,0.18814680282365842,0.364942430265232,0.47856555410869717,0.2687315811116442
EOS-3-07923,COc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)cn1,WPRSRLWNOFBHFH-UHFFFAOYSA-N,3,1,0.398,46,62,430.403,2.765,5,0.401,0.73,1.0,0.7638869851278185,0.5536203824275238,0.4240799122746899,0.3203430196696594,0.5154825748749229
EOS-3-07924,COCc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)cn2)cn1,GEUINBWKELPGCM-UHFFFAOYSA-N,3,1,0.305,62,139,451.49,3.469,5,0.419,0.73,1.0,0.2335001028030978,0.1062898362003975,0.46004386265506136,0.3050167911726407,0.27621264820779934
EOS-3-07925,Cc1cc(C(F)(F)F)nc(-c2cncc3nnc(-c4ccc(-c5cnn(C)n5)nc4)n23)n1,HCBLYIWMVNAKPD-UHFFFAOYSA-N,3,1,0.375,50,542,438.377,2.766,5,0.423,0.7,0.928,0.22537009115208004,0.3185696662326091,0.5428260571585224,0.36223528202316496,0.3622502741415941
EOS-3-07926,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c2)cn1,HTITVMADPJFHCI-UHFFFAOYSA-N,3,1,0.308,82,336,436.479,3.146,6,0.454,0.65,1.0,0.06838119388664245,0.02544376670550339,0.14322184908505242,0.18438592282914126,0.10535818312658488
EOS-3-07927,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CC(F)C6)cc5)n34)cc2)n1C,NNXXJAXWGIQFCS-UHFFFAOYSA-N,3,1,0.343,62,376,467.508,3.961,6,0.4,0.82,1.0,0.2577187992598177,0.22135220341306286,0.23319169350969776,0.2776283325337537,0.247472757179083
EOS-3-07928,Cn1ncc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)cn2)n1,RCILMWFUFWJDIC-UHFFFAOYSA-N,3,1,0.315,94,151,439.418,2.369,6,0.411,0.72,1.0,0.009791995065451305,0.15534404770063737,0.21860222054691247,0.27763689945857034,0.16534379069289287
EOS-3-07929,N#CCNC(=O)c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4F)n23)cc1,WOIGBHCDWXLHCT-UHFFFAOYSA-N,3,1,0.315,62,961,468.427,3.447,5,0.392,0.83,1.0,0.23643855801521485,0.19703070385854293,0.6607240764855048,0.6508464121718868,0.43625993763278736
EOS-3-07930,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccnnc5F)c4)n23)cc1,LQRTUILTIDGIMP-UHFFFAOYSA-N,3,1,0.541,1,230,441.426,3.065,5,0.43,0.68,1.0,0.7809865670618875,0.37629360564731684,0.6466057843876362,0.5370433829072716,0.585232335001028
EOS-3-07931,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cn1,ULNPFUSYYFTRGJ-UHFFFAOYSA-N,3,1,0.517,55,879,427.428,1.66,5,0.432,0.72,1.0,0.44316702076622577,0.17088444931807278,0.08883901034884518,0.04346857651977246,0.18658976423822904
EOS-3-07932,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5F)nc4)n23)cn1,LYNUSZGKVGXUCF-UHFFFAOYSA-N,3,1,0.337,96,204,469.455,4.086,6,0.417,0.8,0.997,0.2605373175245014,0.2620793639915016,0.4944914673428826,0.6035312864094304,0.405159858817079
EOS-3-07933,Fc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)c1,OCMUURMPGDOJDS-UHFFFAOYSA-N,3,1,0.462,50,243,426.337,3.592,5,0.41,0.81,1.0,0.061030772393941474,0.3324566513604277,0.957293879788911,0.9136796655472551,0.5661152422726339
EOS-3-07934,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)nc4)n23)cc1,GCSKKVXTMSIVAL-UHFFFAOYSA-N,3,1,0.511,89,230,455.453,3.326,5,0.391,0.76,1.0,0.7548831471455006,0.3809882804468508,0.6135888561441984,0.44781029401685973,0.5493176444383524
EOS-3-07935,Cc1nc(-c2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)s1,SGSQYJMWIFZCLO-UHFFFAOYSA-N,3,1,0.419,62,3,446.923,4.643,5,0.433,0.82,1.0,0.14481529710095264,0.3185782331574258,0.4423788636830923,0.4785741210335138,0.3460866287437462
EOS-3-07936,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)n1,PWOHGBWNWGNQIY-UHFFFAOYSA-N,3,1,0.32,30,945,432.451,3.106,6,0.418,0.75,1.0,0.07421526968679323,0.062427181139058326,0.15250839558632034,0.2008172846275101,0.12249203275992052
EOS-3-07937,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)nc5)n4)n23)cc1,VWMSWEYNPUZQKW-UHFFFAOYSA-N,3,1,0.369,74,333,443.858,2.718,5,0.42,0.69,1.0,0.19777602631759303,0.2063258172846275,0.2616767185251182,0.2596891919676513,0.2313669385237475
EOS-3-07938,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cncnn5)cn4)n23)cc1,ZNNAZYTXBYRJCP-UHFFFAOYSA-N,3,1,0.398,14,886,423.44,1.922,5,0.437,0.71,1.0,0.1229782057432664,0.02545233363032006,0.152516962511137,0.1104190939620314,0.10284164896168871
EOS-3-07939,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cc2)nn1,CQQOEQWGGMEERK-UHFFFAOYSA-N,3,1,0.557,15,889,428.431,3.107,5,0.406,0.74,1.0,0.9238400383798232,0.8805685011308341,0.3460694948941128,0.32035158659447605,0.6177074052498116
EOS-3-07940,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)n1,FSAKNEVQQDRBLH-UHFFFAOYSA-N,3,1,0.25,30,871,431.463,3.804,6,0.418,0.77,0.383,0.005739839627167432,0.010100404358851347,0.21189431841546158,0.23611301487218148,0.11596189431841546
EOS-3-07941,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)n1,WWPZQYHLCIIPSH-UHFFFAOYSA-N,3,1,0.265,10,195,431.463,3.804,6,0.418,0.77,0.991,0.0021331642793502846,0.00547426495785073,0.33511239805359466,0.3330306353231444,0.16893761565348503
EOS-3-07942,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cc2)n1,BKMLYJOKGXEZEC-UHFFFAOYSA-N,3,1,0.28,42,339,431.463,3.711,6,0.419,0.79,1.0,0.07036872044410938,0.015771708587485438,0.435037009115208,0.42871461860050714,0.23747301418682748
EOS-3-07943,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(O)C5)c(F)c4)n23)s1,INRXCUCEVJFITE-UHFFFAOYSA-N,3,1,0.308,0,825,452.471,1.965,5,0.487,0.74,0.975,0.1094595983825646,0.10629840312521417,0.023002193132753066,0.06463744774175861,0.07584941059557261
EOS-3-07944,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cncc(F)c5)nn4)n23)cc1,FFYXSYVMKOOLQZ-UHFFFAOYSA-N,3,1,0.32,98,866,440.406,1.764,6,0.402,0.71,1.0,0.030746693167020767,0.1513261599616202,0.12285826879583304,0.17895449249537387,0.12097140360496197
EOS-3-07945,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nncn4CC(F)(F)F)n23)cc1F,VMJUKBZJGGUUEL-UHFFFAOYSA-N,3,1,0.43,63,306,476.394,2.555,5,0.408,0.83,1.0,0.5137242135563018,0.4543639915016106,0.4350455760400247,0.4571311082173943,0.4650662223288329
EOS-3-07946,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nn2)cn1,YASJPXQQYCCCIF-UHFFFAOYSA-N,3,1,0.319,70,887,432.451,3.106,6,0.418,0.73,1.0,0.030755260091837433,0.015780275512302103,0.2365841957370982,0.2390943047083819,0.13055350901240492
EOS-3-07947,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,WCJRUXQRMIHVNE-UHFFFAOYSA-N,3,1,0.299,38,746,432.451,3.106,6,0.418,0.73,1.0,0.06838976081145912,0.07365841957370982,0.12816119525735042,0.1817387430607909,0.11298702967582756
EOS-3-07948,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)c2)cn1,KTUACABNKSZLOI-UHFFFAOYSA-N,3,1,0.276,86,967,435.455,2.444,6,0.414,0.71,0.999,0.06628229730655884,0.043391474196422454,0.16806593105338907,0.14936433417860326,0.10677600918374341
EOS-3-07949,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nn2)c1,MQDRPTVCHHZUOS-UHFFFAOYSA-N,3,1,0.388,53,602,449.837,2.847,5,0.385,0.73,0.354,0.7280601055445137,0.6985641834007265,0.2256785004454801,0.3330392022479611,0.4963354979096703
EOS-3-07950,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nncc(C)n5)ncc4F)n23)cc1F,CKEABEHNPFFRIQ-UHFFFAOYSA-N,3,1,0.312,74,413,459.42,2.652,5,0.435,0.66,1.0,0.2819803303406209,0.2161435131245288,0.3686347748612158,0.32663114248509356,0.2983474402028648
EOS-3-07951,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncnc4-c4cnc(C)nc4)n23)cc1,GVZRIQVQRKERDO-UHFFFAOYSA-N,3,1,0.322,74,333,424.428,1.768,5,0.457,0.69,0.995,0.12298677266808307,0.023139263929819753,0.0840158316770612,0.044787882941539306,0.06873243780412583
EOS-3-07952,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nc2)n1,AUIPFNWOKLTRII-UHFFFAOYSA-N,3,1,0.337,94,507,451.429,2.64,6,0.398,0.73,1.0,0.20062881228154342,0.2982317867178398,0.18747858268795833,0.25969775889246793,0.23650923514495237
EOS-3-07953,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)cc2)n1,KWRLNLYKRNWGDU-UHFFFAOYSA-N,3,1,0.252,98,213,433.439,2.501,6,0.412,0.73,1.0,0.03586971420738812,0.03668357206497156,0.17126996093482283,0.18695600027414158,0.10769481187033103
EOS-3-07955,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(C)nn5)ncn4)n23)cn1,OAYWAIJWPBDIMR-UHFFFAOYSA-N,3,1,0.316,50,974,425.416,1.163,5,0.444,0.7,0.916,0.1120125419779316,0.03369371530395449,0.02006373792063601,0.008087177026934412,0.04346429305736413
EOS-3-07956,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)n1,LPSGSRZFOPLGHR-UHFFFAOYSA-N,3,1,0.314,25,508,446.478,3.414,6,0.405,0.75,1.0,0.08713419231032829,0.06985470495510931,0.23320026043451442,0.2477640326228497,0.15948829758070043
EOS-3-07957,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C5(F)CCNCC5)n4)n23)c(F)c1,FMTKMEGTVLZGTP-UHFFFAOYSA-N,3,1,0.327,63,792,439.43,1.554,5,0.496,0.62,1.0,0.050741895689123434,0.12224145020903296,0.006785004454800904,0.026257624563086834,0.05150649372901103
EOS-3-07958,c1cncc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccncc5)nc4)n23)c1,FIHSQWNNXYHLRL-UHFFFAOYSA-N,3,1,0.299,94,723,429.447,3.767,6,0.417,0.78,0.999,0.13406380645603455,0.09344801590021246,0.43108765677472416,0.4507487492289768,0.277337057089987
EOS-3-07959,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(Cl)nc5)n4)n23)cc1,ZDTRDJXNVRRWLR-UHFFFAOYSA-N,3,1,0.341,74,295,469.896,3.251,6,0.389,0.8,1.0,0.1977845932424097,0.21135460215201152,0.1432304160098691,0.2506939209101501,0.2007658830786101
EOS-3-07960,CCCNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(C)c(F)c4C)n23)nc1,XVQRXXCWYNZOSA-UHFFFAOYSA-N,3,1,0.364,63,505,419.464,3.068,4,0.516,0.67,0.977,0.16160646974162154,0.11883181413199918,0.09561544787882942,0.05266945377287369,0.10718079638133096
EOS-3-07961,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cn4)n23)c(F)c1,IHLIFYVQMLDHLZ-UHFFFAOYSA-N,3,1,0.31,99,765,455.421,1.373,6,0.382,0.71,1.0,0.16971934754300597,0.2879172092385717,0.03543280104173806,0.055582208210540746,0.1371628915084641
EOS-3-07962,Cn1nccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)nc1,VWRRGVYGECHRFD-UHFFFAOYSA-N,3,1,0.289,98,42,433.439,2.501,6,0.412,0.7,1.0,0.08714275923514496,0.018855801521485846,0.19784456171612638,0.18696456719895826,0.12270192241792886
EOS-3-07963,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)cc1,KYQUPOXKYNEDKA-UHFFFAOYSA-N,3,1,0.317,98,973,455.873,2.883,6,0.398,0.74,1.0,0.07037728736892605,0.21136316907682817,0.10328284558974711,0.20397847988486054,0.14725044548009047
EOS-3-07964,Cn1ncnc1-c1ncc(Cl)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,BUZLLFDIPDAZMY-UHFFFAOYSA-N,3,1,0.612,16,32,436.838,3.353,5,0.417,0.74,1.0,0.8438592282914125,0.8313857857583442,0.40915632924405454,0.5102289082311013,0.6486575628812281
EOS-3-07965,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1-c1cccnc1,RFGAKJQANMAVRZ-UHFFFAOYSA-N,3,1,0.6,95,998,435.85,3.958,5,0.415,0.82,1.0,0.5243814680282366,0.5123106709615517,0.7348536769241313,0.7610170653142349,0.6331407203070386
EOS-3-07966,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)s4)n23)cc1,YEWCROYWPLADQH-UHFFFAOYSA-N,3,1,0.511,89,731,448.443,2.522,5,0.419,0.7,0.998,0.5772051264478103,0.35720649715578096,0.18428311973134123,0.13304434240285107,0.3129347714344459
EOS-3-07967,CCn1cncc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)c1,FSSRDBJCNXJPOG-UHFFFAOYSA-N,3,1,0.324,61,648,459.46,3.98,5,0.429,0.77,1.0,0.3263484339661435,0.26208793091631827,0.727049208416147,0.6451836748680694,0.4901673120416695
EOS-3-07968,COc1ncc(-c2nncn2C)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,ZIUBCYINNOUZKE-UHFFFAOYSA-N,3,1,0.309,82,66,468.481,1.945,6,0.396,0.82,1.0,0.13938386676718525,0.06986327187992598,0.01661983414433555,0.013407237338085121,0.05981855253238298
EOS-3-07969,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ncn2)o1,BMGQAHMFIYBITM-UHFFFAOYSA-N,3,1,0.358,33,53,469.465,2.411,6,0.377,0.81,0.995,0.1864762524844082,0.09345658282502912,0.034182030018504554,0.027302789390720308,0.08535441367966554
EOS-3-07970,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cn1,JMYGYQQESAKOET-UHFFFAOYSA-N,3,1,0.421,66,455,414.351,1.946,4,0.543,0.76,1.0,0.22537865807689672,0.29325440339935577,0.5564131999177575,0.3394301281611953,0.3536190973888013
EOS-3-07971,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)no4)n23)cc1,UIRYCPWBBKFESI-UHFFFAOYSA-N,3,1,0.415,9,553,421.424,3.304,6,0.426,0.82,1.0,0.14215955040778563,0.0902953875676787,0.1310653827702008,0.15742581043108766,0.1302365327941882
EOS-3-07972,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnccc5F)c4)n23)nc1,OXAZIUGKZAPGHY-UHFFFAOYSA-N,3,1,0.408,89,348,456.441,2.721,5,0.414,0.7,1.0,0.5550424919470907,0.2932629703241724,0.3912600233020355,0.2953961346035227,0.38374040504420537
EOS-3-07973,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cc1,VSEMOGYZNNALLT-UHFFFAOYSA-N,3,1,0.298,39,527,437.402,2.425,6,0.409,0.72,0.997,0.016876841888835585,0.12589096018093346,0.09116921389897882,0.18439448975395792,0.10458287643067646
EOS-3-07974,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cc1,DYEZEKNSFFBBPG-UHFFFAOYSA-N,3,1,0.299,10,827,437.402,2.425,6,0.409,0.72,0.926,0.0057484065519841,0.12589952710575011,0.0814371873072442,0.1950774450003427,0.10204064149133027
EOS-3-07975,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)n[nH]4)n23)nc1,PVNSWIXFDWOXHU-UHFFFAOYSA-N,3,1,0.262,86,812,439.418,2.573,6,0.444,0.71,0.986,0.20325029127544378,0.2161520800493455,0.16493043657048867,0.17896305942019053,0.19082396682886713
EOS-3-07976,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)cc(F)c4F)n23)cn1,OAWXZPNSMZLENA-UHFFFAOYSA-N,3,1,0.483,36,250,434.41,3.147,5,0.419,0.73,1.0,0.6547186621890206,0.577650606538277,0.6282982660544171,0.5601055445137414,0.605193269823864
EOS-3-07977,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccncc5)c4)n23)cc1,KRHOZWTUMZZLAZ-UHFFFAOYSA-N,3,1,0.413,62,319,464.504,4.475,6,0.401,0.85,1.0,0.24189568912343226,0.21137173600164486,0.5949643615927627,0.6508549790967034,0.4247716914536358
EOS-3-07978,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nn1,XQEALQOCIAGVSO-UHFFFAOYSA-N,3,1,0.489,58,132,430.859,3.313,5,0.404,0.75,1.0,0.6765129189226236,0.8278219450346104,0.24730141868274963,0.30160715509560687,0.5133108594338975
EOS-3-07979,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)nc1,BAXXRPPMAIKQIJ-UHFFFAOYSA-N,3,1,0.365,9,867,447.437,3.906,6,0.4,0.77,1.0,0.3457268179014461,0.34739736824069634,0.5982711945719964,0.6068209855390309,0.4745540915632924
EOS-3-07980,Cc1cnccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1,PSFQZEWXWFTGER-UHFFFAOYSA-N,3,1,0.337,52,204,447.502,4.116,6,0.435,0.75,1.0,0.18095915290247414,0.058614899595641146,0.26514632307586866,0.31122781166472485,0.20398704680967722
EOS-3-07981,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnn(-c4cccnc4F)c3)n12,FJEOMTPWBXMVSM-UHFFFAOYSA-N,3,1,0.327,52,246,470.468,3.079,6,0.38,0.83,0.99,0.12299533959289974,0.23160681241861422,0.24375471180864916,0.23612158179699816,0.2086196114042903
EOS-3-07982,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)nc2)nn1,NNFWBXYTPGFBTL-UHFFFAOYSA-N,3,1,0.315,32,179,431.463,3.711,6,0.419,0.78,1.0,0.014272496744568569,0.009218011102734562,0.36495099719004864,0.3813823589884175,0.19245596600644232
EOS-3-07984,Cn1ncnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,OJDNTMRZFLBRBT-UHFFFAOYSA-N,3,1,0.307,30,945,431.463,3.711,6,0.419,0.78,1.0,0.09460455075046262,0.04340004112123912,0.21190288534027826,0.25970632581728464,0.15240345075731615
EOS-3-07986,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccsc5)c(F)c4)n23)cc1,AVRHIESBCARGQL-UHFFFAOYSA-N,3,1,0.557,89,731,446.467,3.732,5,0.426,0.74,1.0,0.7280686724693304,0.36660441367966556,0.5887276403262285,0.4817438832156809,0.5412861524227264
EOS-3-07987,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)s1,GDCHTVQXBGMBLV-UHFFFAOYSA-N,3,1,0.413,33,168,444.48,2.691,5,0.422,0.72,1.0,0.4200877253101227,0.14731683914741964,0.11991124665889932,0.06294976355287506,0.18756639366732916
EOS-3-07988,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)nn1,KWZORFUTLUGVRE-UHFFFAOYSA-N,3,1,0.6,36,659,435.81,2.805,5,0.41,0.69,0.846,0.9427558083750257,0.9616287437461449,0.35011308340758,0.45713967514221093,0.6779093276677404
EOS-3-07989,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(C)c(F)c5)n4)n23)cc1C,JEFAXRKGTUUSMN-UHFFFAOYSA-N,3,1,0.35,62,139,452.493,4.636,5,0.43,0.85,1.0,0.247344253306833,0.22672366527311355,0.6932698238640258,0.5855064765951614,0.43821105475978345
EOS-3-07990,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)nn5C)nc4)n23)cn1,YGVMZHBSMRQFRW-UHFFFAOYSA-N,3,1,0.322,82,974,426.444,1.712,5,0.46,0.71,0.999,0.11507093413748201,0.06987183880474265,0.023010760057569735,0.008412720169967788,0.05409156329244055
EOS-3-07991,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)cc1,DJAJOOGHDCOBSK-UHFFFAOYSA-N,3,1,0.276,25,373,433.439,2.501,6,0.412,0.71,1.0,0.1286495099719005,0.08408436707559454,0.12816976218216708,0.16007299019943802,0.12524415735727504
EOS-3-07992,OCc1ncc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4F)n23)cn1,LCGIKPHFBCPGRG-UHFFFAOYSA-N,3,1,0.325,73,261,418.367,2.476,5,0.473,0.74,1.0,0.4641474196422452,0.47632958673154685,0.5123620725104516,0.5370519498320883,0.49747275717908296
EOS-3-07993,OCc1cc(F)cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)c1,KAMNTEGHJZCHFP-UHFFFAOYSA-N,3,1,0.573,68,12,419.338,3.416,4,0.499,0.8,1.0,0.9082396682886711,0.8547649235830307,0.9893855801521486,0.9619799876636282,0.9285925399218696
EOS-3-07994,Cc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)s2)ccn1,SHEBTASKLKSHKG-UHFFFAOYSA-N,3,1,0.275,33,432,455.507,2.967,6,0.429,0.74,0.977,0.04613289013775615,0.020946131176752793,0.015934480159002125,0.022916523884586388,0.02648250633952436
EOS-3-07995,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncn5C)n4)n23)cc1,MAAFHBAHIFNPSJ-UHFFFAOYSA-N,3,1,0.429,14,357,458.913,3.191,5,0.434,0.7,1.0,0.1923274621341923,0.2418357206497156,0.3167963127955589,0.2627989856761017,0.2534396203138921
EOS-3-07996,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)n2)n(C)n1,PVZDQULSUCIZON-UHFFFAOYSA-N,3,1,0.313,52,974,452.482,2.244,6,0.43,0.68,0.994,0.04748646425878966,0.03992186964567199,0.006793571379617573,0.006785004454800904,0.02524672743472003
EOS-3-07997,COc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C)cc5)n34)nc2)nn1,IDBAFBVQGADBRH-UHFFFAOYSA-N,3,1,0.488,89,946,426.44,2.934,5,0.404,0.76,1.0,0.5974230690151463,0.484862243848948,0.22568706737029676,0.13510040435885134,0.36076819614831057
EOS-3-07998,CCn1cncc1-c1cc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)nc(C)n1,DWOJSCKVTLJCND-UHFFFAOYSA-N,3,1,0.321,74,768,457.473,2.939,5,0.431,0.71,1.0,0.2391714070317319,0.18815536974847508,0.2083561784661778,0.13305290932766775,0.19218396614351313
EOS-3-07999,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cn2)c1,DRXOUYOXAGZGJW-UHFFFAOYSA-N,3,1,0.282,70,596,442.446,3.368,6,0.407,0.71,1.0,0.012798985676101706,0.03669213898978822,0.54959392776369,0.5503049825234734,0.2873475087382633
EOS-3-08000,N#Cc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)c1,XURGRDYFWQHEJI-UHFFFAOYSA-N,3,1,0.288,10,871,442.446,3.368,6,0.407,0.71,0.716,0.023858885614419848,0.043408608046055785,0.44238743060790897,0.48487081077376465,0.2486314337605373
EOS-3-08001,NC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)c5)cs4)n23)nc1,BTXZILCTCPRCBW-UHFFFAOYSA-N,3,1,0.447,44,348,463.91,3.641,5,0.408,0.78,1.0,0.4131742169830718,0.44094818723870877,0.2616852854499349,0.28947638955520527,0.3513210198067302
EOS-3-08002,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4Oc4ccc(F)cc4)n23)cc1,VGJANSMDGRNGJX-UHFFFAOYSA-N,3,1,0.421,62,139,455.453,3.929,5,0.413,0.8,1.0,0.5946730861489959,0.5631382358988417,0.4091648961688712,0.3266397094099102,0.4734039819066548
EOS-3-08003,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)n1,KPAPRYPCRCOLLW-UHFFFAOYSA-N,3,1,0.276,99,259,436.443,1.839,6,0.406,0.7,0.738,0.06629086423137551,0.039930436570488656,0.027097183195120278,0.02545233363032006,0.039692704406826124
EOS-3-08004,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)nc1,UPLWSMWIUXHAPC-UHFFFAOYSA-N,3,1,0.314,98,356,451.429,2.64,6,0.398,0.71,0.982,0.11507950106229868,0.22136077033787951,0.14323898293468576,0.2241621547529299,0.17596035227194845
EOS-3-08005,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cn1,YNHYQGFGMIQQQR-UHFFFAOYSA-N,3,1,0.291,25,373,435.455,2.444,6,0.414,0.72,1.0,0.0762456308683435,0.05455417723254061,0.10861147282571448,0.119996915907066,0.08985204920841615
EOS-3-08006,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)cc1F,YICHAPFHEBTEGZ-UHFFFAOYSA-N,3,1,0.429,92,399,459.445,2.06,5,0.409,0.71,1.0,0.38929819751901856,0.31334384209444177,0.287651634569255,0.17597320265917346,0.29156671921047217
EOS-3-08007,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(C)n5C)cn4)n23)nc1,KDASITCYERPXGL-UHFFFAOYSA-N,3,1,0.398,33,53,455.482,2.229,5,0.413,0.7,1.0,0.30853779727229114,0.1259080940305668,0.11991981358371599,0.03854259475018847,0.1482270749091906
EOS-3-08008,N#Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)nn1,HEKDTTWPUYWIKO-UHFFFAOYSA-N,3,1,0.59,16,32,441.842,3.142,5,0.404,0.71,1.0,0.905044205332054,0.9553406209307107,0.47736618463436364,0.530583921595504,0.7170837331231581
EOS-3-08009,Cc1nc(-c2cnc(F)cn2)cc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)n1,BFHDPEAJESTMBB-UHFFFAOYSA-N,3,1,0.386,50,974,443.446,2.775,5,0.446,0.68,0.99,0.34108354465081214,0.40014392433692003,0.3949952025221027,0.2185165512987458,0.3386848057021452
EOS-3-08010,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(F)c(-c5nc(C)nn5C)n4)n23)cc1F,YVWWCJKLVIXYNO-UHFFFAOYSA-N,3,1,0.33,74,413,462.424,1.99,5,0.429,0.68,1.0,0.23081865533548077,0.21616064697416215,0.07279316016722637,0.06792714687135906,0.14692490233705707
EOS-3-08011,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)n1,XCIIBNDTACGKMX-UHFFFAOYSA-N,3,1,0.295,76,387,432.451,3.106,6,0.418,0.74,0.944,0.05398019326982387,0.011873757795901583,0.16807449797820576,0.20082585155232677,0.10868857514906449
EOS-3-08012,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc1,URJAOXWCIAIUAQ-UHFFFAOYSA-N,3,1,0.495,89,731,424.424,2.321,5,0.439,0.71,0.997,0.5038636830923172,0.18816393667329176,0.3056250428346241,0.19508601192515934,0.2981846686313481
EOS-3-08013,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(C(F)F)c4)n23)cc1,JYMCCUIKKZUHCQ-UHFFFAOYSA-N,3,1,0.338,61,917,422.374,3.726,5,0.439,0.81,1.0,0.2929545610307724,0.4232232197930231,0.8398927421012953,0.8439877321636625,0.6000145637721883
EOS-3-08014,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnccn5)n4)n23)nc1,SFOYQZUNVVSXTQ-UHFFFAOYSA-N,3,1,0.384,33,53,457.429,2.116,5,0.407,0.71,0.998,0.4615944760468782,0.28264855047632104,0.19079398259200878,0.12219861558494963,0.2643089061750394
EOS-3-08015,Fc1cccc(-c2ccccc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)c4)n23)c1,HSDNVHOHGMXKJN-UHFFFAOYSA-N,3,1,0.373,93,220,434.438,4.445,6,0.44,0.78,1.0,0.2684959906791858,0.3521862792132136,0.7138732780481118,0.7921492700980056,0.5316762045096292
EOS-3-08016,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cc2)n[nH]1,NVYPPTYMQDBIIE-UHFFFAOYSA-N,3,1,0.317,25,508,453.445,2.881,6,0.431,0.71,1.0,0.20325885820026043,0.277465560962237,0.21191145226509492,0.24194709067233225,0.23364574052498113
EOS-3-08017,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C)c5C)ccc4Cl)n23)cc1,QAJSGYHDLHBQHH-UHFFFAOYSA-N,3,1,0.379,62,124,457.925,4.18,5,0.437,0.8,1.0,0.17796929614145707,0.2723939414707697,0.5887362072510451,0.49078198889726543,0.38247035844013433
EOS-3-08018,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)cc4CC#N)n23)c(F)c1,MMQUKKHORSFMHA-UHFFFAOYSA-N,3,1,0.323,61,917,429.394,2.993,5,0.432,0.73,0.918,0.35944246453293127,0.4322870262490576,0.6633883901034885,0.7295764512370639,0.5461735830306353
EOS-3-08019,Cn1ncnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)n1,ZOGBQQVVEYFKRH-UHFFFAOYSA-N,3,1,0.317,39,176,450.441,3.245,6,0.402,0.74,0.982,0.08715132615996161,0.14361592762661915,0.15859091220615448,0.24195565759714893,0.15782845589747102
EOS-3-08020,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)cc1,QQGWAIONIJVWKI-UHFFFAOYSA-N,3,1,0.337,67,581,450.441,3.245,6,0.402,0.74,1.0,0.14770235076416968,0.267253786580769,0.280224110753204,0.39111438558015216,0.2715736584195737
EOS-3-08021,CCc1cnc(-c2cnccn2)c(-c2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)n1,KVYZGDFSGUSSMA-UHFFFAOYSA-N,3,1,0.322,82,974,438.455,2.022,5,0.437,0.67,0.999,0.1448238640257693,0.062435748063874995,0.0230193269823864,0.011582482352134878,0.060465355356041396
EOS-3-08022,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(Cl)nc5)nn4)n23)cc1,YSJJDXQQGDVWJA-UHFFFAOYSA-N,3,1,0.522,89,731,459.857,2.37,5,0.378,0.74,1.0,0.6311767527928175,0.4369131656500583,0.22569563429511344,0.20982112260982796,0.3759016688369543
EOS-3-08023,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Br)cc4F)n23)nc1,RVXCSTTWTWRFFX-UHFFFAOYSA-N,3,1,0.436,63,683,483.301,3.559,5,0.451,0.89,1.0,0.46415598656706186,0.2932715372489891,0.38017442258926737,0.46022376807621135,0.3994564286203824
EOS-3-08024,Cn1nnnc1-c1cc(Cl)cc(COc2cncc3nnc(-c4ccc(F)cn4)n23)c1,AIPZSDIQXLCQIJ-UHFFFAOYSA-N,3,1,0.461,36,728,437.826,2.748,5,0.413,0.71,1.0,0.5395192241792885,0.5829106983757111,0.35754917414844767,0.46336782948392846,0.4858367315468439
EOS-3-08025,Fc1ccccc1-c1cnc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,OFYJEACANAOPQU-UHFFFAOYSA-N,3,1,0.338,30,195,434.438,4.24,6,0.413,0.79,1.0,0.005328627235967377,0.11552498115276541,0.5949729285175793,0.6738314714550065,0.34741450209032965
EOS-3-08026,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(Cl)cn5)cn4)n23)cc1,YUCUHJUYZCJFHG-UHFFFAOYSA-N,3,1,0.562,51,969,451.277,3.924,5,0.396,0.77,1.0,0.8685319717634158,0.9500805290932767,0.5394335549311219,0.6366253169762183,0.7486678431910081
EOS-3-08027,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)cn1,YBDRZUFGTPLQHO-UHFFFAOYSA-N,3,1,0.337,94,615,450.441,3.245,6,0.402,0.76,0.995,0.23917997395654855,0.3082036872044411,0.3168048797203756,0.3877561510520184,0.3129861729833459
EOS-3-08028,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nc1,UDXSDVXDQZWZNX-UHFFFAOYSA-N,3,1,0.319,98,882,435.455,2.444,6,0.414,0.69,1.0,0.03587828113220479,0.043417174970872455,0.14324754985950244,0.1330614762524844,0.08890112055376603
EOS-3-08029,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(C)nn5)cn4)n23)cc1F,GGNKMOFHPWUMGB-UHFFFAOYSA-N,3,1,0.429,89,946,471.456,2.424,5,0.396,0.77,1.0,0.47645809060379685,0.3714104585018162,0.2332088273593311,0.13982077993283532,0.30522453909944486
EOS-3-08030,c1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)nc1,UOBSNNLIHOUXQH-UHFFFAOYSA-N,3,1,0.295,94,136,430.435,3.162,6,0.415,0.72,0.999,0.09461311767527929,0.10960523610444795,0.1680830649030224,0.19509457884997602,0.14184899938318143
EOS-3-08031,Cc1cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)c2)cnn1,LQDYHMUDTSJQDQ-UHFFFAOYSA-N,3,1,0.314,82,859,422.452,3.026,5,0.472,0.71,1.0,0.09703755739839627,0.03370228222877116,0.3840895072304846,0.277645466383387,0.19811870331025977
EOS-3-08032,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5ccc(F)nc5)nn4)n23)cc1,CTISCSFYCQQAKD-UHFFFAOYSA-N,3,1,0.333,98,882,451.429,2.64,6,0.372,0.75,1.0,0.1508635460215201,0.19703927078335962,0.20482660544171064,0.2419642245219656,0.19867341169213898
EOS-3-08033,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)cc5)n4)n23)cc1,FEBNUUKAWGZLOP-UHFFFAOYSA-N,3,1,0.425,9,757,450.441,3.245,6,0.402,0.71,1.0,0.23644712494003153,0.3666129806044822,0.2802326776780207,0.3233500102803098,0.301660698375711
EOS-3-08034,COc1ccc(-c2nnn(C)n2)cc1-c1cncc2nnc(-c3ccc(C#N)c(F)c3)n12,FOQUWWBHJQOPAZ-UHFFFAOYSA-N,3,1,0.365,61,917,427.403,2.668,5,0.429,0.76,1.0,0.3572236310054143,0.4232317867178398,0.5627098896580084,0.5037951476937839,0.4617401137687616
EOS-3-08035,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)ccc1Cl,PFZUONVLKWATPC-UHFFFAOYSA-N,3,1,0.551,51,969,434.822,3.41,5,0.414,0.74,1.0,0.9263244465766568,0.9553491878555274,0.6743797546432733,0.6969707353848262,0.8132560311150709
EOS-3-08036,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccn2)nn1,QMCQZDMIXFJZFE-UHFFFAOYSA-N,3,1,0.566,16,134,436.838,3.353,5,0.417,0.75,1.0,0.6671235693235557,0.7961500239873894,0.6310653827702009,0.6536734973613871,0.6870031183606333
EOS-3-08037,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)nc1,HPHJFIVPGITYGB-UHFFFAOYSA-N,3,1,0.341,70,687,431.463,3.711,6,0.419,0.77,1.0,0.03588684805702145,0.030523953121787403,0.3575577410732643,0.3363631690768282,0.19008292783222533
EOS-3-08038,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4cccnc4)cn3)n12,DGKOCQBXRPCNDA-UHFFFAOYSA-N,3,1,0.315,30,979,431.463,3.711,6,0.419,0.77,0.956,0.030763827016654102,0.04718662189020629,0.15859947913097114,0.22417072167774654,0.11518016242889452
EOS-3-08039,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cc1,XPLBNOPENGGGOC-UHFFFAOYSA-N,3,1,0.295,30,498,431.463,3.711,6,0.419,0.77,1.0,0.07038585429374272,0.010108971283668014,0.3092145843328079,0.3783068329792338,0.1920040607223631
EOS-3-08040,Cn1ccnc1-c1nc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)ccc1F,YQVFLRVAIZRIEV-UHFFFAOYSA-N,3,1,0.478,7,205,445.418,1.799,5,0.417,0.7,1.0,0.4477417586183264,0.394960934822836,0.10587005688438078,0.06970906723322597,0.2545704543896923
EOS-3-08041,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)o1,KEVLXFCLVKZRFL-UHFFFAOYSA-N,3,1,0.415,33,760,429.4,1.618,5,0.42,0.74,1.0,0.37087074223836614,0.07708518950037695,0.06836406003700911,0.032014598039887605,0.13708364745390994
EOS-3-08042,Fc1ccc(Cl)cc1-c1nnc2cncc(OCc3ncc(-c4cccnn4)cn3)n12,XDINNQOZRJLTSJ-UHFFFAOYSA-N,3,1,0.438,73,946,434.822,3.41,5,0.414,0.76,1.0,0.6486961140429032,0.80046775409499,0.5530463984648071,0.6159276266191488,0.6545344733054622
EOS-3-08043,OCc1cc(-c2cncc3nnc(-c4ccc(-c5cncc(F)c5)c(F)c4)n23)ccc1F,RYTOSFWWPFHYBY-UHFFFAOYSA-N,3,1,0.329,96,46,433.393,4.43,5,0.454,0.79,1.0,0.4764666575286135,0.654787197587554,0.9798762936056473,0.9815982454937976,0.7731820985539031
EOS-3-08044,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)c(Cl)cc5F)nn4)n23)cc1,BQHKOQAGTZEPNV-UHFFFAOYSA-N,3,1,0.346,22,997,466.839,3.33,5,0.407,0.75,1.0,0.1020063737920636,0.27240250839558633,0.7164347885682956,0.7189962990884792,0.45245999246110613
EOS-3-08045,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)cs4)n23)cc1,IYKJZAWTYWMOJX-UHFFFAOYSA-N,3,1,0.478,89,926,446.496,2.587,5,0.427,0.74,1.0,0.43610787471729145,0.24695017476526626,0.13724213556301829,0.06612809265985882,0.22160706942635872
EOS-3-08046,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)nc1,ZJSQMJGEXCVADQ-UHFFFAOYSA-N,3,1,0.329,25,213,450.441,3.245,6,0.376,0.77,1.0,0.222405935165513,0.3032434377355904,0.3686433417860325,0.42872318552532385,0.3307539750531149
EOS-3-08047,Cn1nc(-c2ccc(F)cn2)nc1-c1cncc2nnc(-c3cc(Cl)ccc3F)n12,MNDIRYOIZYLBDZ-UHFFFAOYSA-N,3,1,0.329,22,844,424.802,3.58,5,0.44,0.76,0.923,0.18957747926804194,0.38563155369748475,0.467248646425879,0.6650846412171887,0.4268855801521486
EOS-3-08048,Fc1cncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nn5)n34)cn2)c1,QAMPRJBGULEGEQ-UHFFFAOYSA-N,3,1,0.326,94,459,448.425,3.301,6,0.4,0.72,1.0,0.2550459187170173,0.3185868000822425,0.35393393187581385,0.40622644095675414,0.333448272907957
EOS-3-08049,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)nc1,LBHQGEQCMMXVDE-UHFFFAOYSA-N,3,1,0.315,82,974,440.471,2.195,5,0.44,0.7,0.996,0.1045336166129806,0.058623466520457815,0.013981221300801865,0.005140154890000685,0.04556961483106024
EOS-3-08050,Cn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cnco5)c(F)c4)n23)cn1,BSAJIIIWJHJEJM-UHFFFAOYSA-N,3,1,0.342,86,443,439.414,3.443,6,0.411,0.73,1.0,0.33634603522719486,0.3572150640805976,0.5015334795421835,0.48175245014049756,0.4192117572476184
EOS-3-08051,CCNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(C)cn5)cn4)n23)cc1F,ABYFQTBXFNHAJY-UHFFFAOYSA-N,3,1,0.37,89,412,470.468,3.633,5,0.399,0.85,1.0,0.6487046809677198,0.45437255842642726,0.30922315125762456,0.19268727297649235,0.40124691590706596
EOS-3-08052,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5F)n34)cn2)cn1,CAJIPYFYGUZTIG-UHFFFAOYSA-N,3,1,0.321,98,314,452.457,3.188,6,0.405,0.73,1.0,0.15886505380028784,0.2826571174011377,0.412574532245905,0.3843722157494346,0.30961722979919126
EOS-3-08053,Cc1nccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)n1,WUQYVEMSHXBOGK-UHFFFAOYSA-N,3,1,0.33,82,310,465.477,3.031,6,0.402,0.79,1.0,0.38712219861558494,0.16692653005277225,0.05834075800150778,0.048891439928723184,0.16532023164964701
EOS-3-08054,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)nn1,VVBNOBRWTFPGRK-UHFFFAOYSA-N,3,1,0.338,9,98,444.462,3.471,6,0.402,0.73,1.0,0.17497087245562332,0.09965046946747995,0.36123295181961484,0.35869714207388115,0.2486378589541498
EOS-3-08055,Clc1ccccc1CCOc1cncc2nnc(-c3cncnc3-c3ccccn3)n12,LWZGNZPTZOGFDQ-UHFFFAOYSA-N,3,1,0.651,11,56,429.871,3.918,5,0.404,0.8,1.0,0.6576656843259544,0.7360530463984648,0.4706240148036461,0.557072853128641,0.6053538996641765
EOS-3-08056,COc1cc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c(F)cc1Cl,UHOOBEOVLYULGD-UHFFFAOYSA-N,3,1,0.366,61,917,436.838,3.45,5,0.425,0.74,1.0,0.36394010006168187,0.5536289493523405,0.5824052498115276,0.6189346172297991,0.5297272291138373
EOS-3-08057,Cc1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)o1,WYWPXGXZBXPBDC-UHFFFAOYSA-N,3,1,0.474,89,398,467.489,3.621,6,0.385,0.85,1.0,0.357232197930231,0.14732540607223632,0.13397813720786786,0.11042766088684805,0.18724085052429582
EOS-3-08058,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)cc2)n1,HEBHPIUZRFKCGV-UHFFFAOYSA-N,3,1,0.321,67,745,453.445,2.583,6,0.4,0.72,1.0,0.21169727914467823,0.3279418819820437,0.20483517236652732,0.24197279144678227,0.2466117812350079
EOS-3-08059,Cc1nn(C)cc1-c1cncc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c1,LSSOUUJVYWYFGE-UHFFFAOYSA-N,3,1,0.419,33,760,441.455,1.968,5,0.422,0.71,1.0,0.25505448564183403,0.06244431498869166,0.15860804605578782,0.07155952299362621,0.13691659241998494
EOS-3-08060,Cc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)cn1,QQZAKPGDRXOMEP-UHFFFAOYSA-N,3,1,0.483,7,535,440.427,1.42,5,0.409,0.72,1.0,0.5063480912891508,0.20633438420944417,0.04398259200877253,0.017922006716469055,0.19364676855595914
EOS-3-08061,Fc1cccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)cn5)s4)n23)c1,BKWLLTVDMXFBRR-UHFFFAOYSA-N,3,1,0.547,34,820,439.863,4.076,5,0.407,0.8,1.0,0.5526266191487903,0.7711089027482695,0.34218011102734563,0.5139812213008018,0.5449742135563018
EOS-3-08062,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cn(-c4ncccc4F)nn3)n12,VFIJLNVFBQSFKQ-UHFFFAOYSA-N,3,1,0.319,74,997,471.456,2.474,6,0.4,0.76,1.0,0.11779521622918238,0.23646425878966487,0.08402439860187787,0.10605852923034748,0.13608560071276815
EOS-3-08063,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nc2)c1,KQPMAFLJULNEPD-UHFFFAOYSA-N,3,1,0.456,46,119,433.834,4.015,5,0.386,0.83,1.0,0.6226783633746831,0.6739428414776232,0.7086902885340278,0.7506682201357001,0.6889949283805086
EOS-3-08064,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)ccc4F)n23)cc1,DEYGGJSNJRCZJI-UHFFFAOYSA-N,3,1,0.5,89,637,458.457,2.665,5,0.416,0.76,1.0,0.4764752244534302,0.3666215475292989,0.4845109999314646,0.33943869508601193,0.41676161675005147
EOS-3-08065,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5ncnc(-c6ccccc6)n5)n34)cn2)c1,IFLFIQKATFIDJA-UHFFFAOYSA-N,3,1,0.421,30,757,447.437,3.906,6,0.4,0.76,1.0,0.2364556918648482,0.3572236310054143,0.3421886779521623,0.4287317524501405,0.34114993831814133
EOS-3-08066,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(F)c5)c4)n23)cc1,BSAKCBZSUFYLKP-UHFFFAOYSA-N,3,1,0.505,97,230,441.426,3.065,5,0.402,0.73,1.0,0.7723596737715029,0.33745973545336166,0.6340895072304845,0.5038037146186005,0.5619281577684874
EOS-3-08067,Cc1ncc(-c2ccnc(Oc3cncc4nnc(-c5ccc(-c6nn[nH]n6)nc5)n34)n2)cn1,HREQEFYSPZMHRS-UHFFFAOYSA-N,3,1,0.313,80,855,451.414,1.714,6,0.403,0.72,1.0,0.43364060037009117,0.29824035364265644,0.045773079295456105,0.0245099719004866,0.2005410013021726
EOS-3-08068,N#Cc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)c1,FRPHNAFAZQQEIN-UHFFFAOYSA-N,3,1,0.262,33,432,460.461,2.469,6,0.417,0.72,1.0,0.08715989308477828,0.09665204578164623,0.14036906312110206,0.19269583990130904,0.12921921047220888
EOS-3-08069,Cc1ncnc(-c2nncnc2-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c1F,ADWHNHOQZGBGSX-UHFFFAOYSA-N,3,1,0.321,50,768,446.381,1.786,5,0.436,0.63,0.141,0.24735282023164964,0.21616921389897883,0.16809163182783907,0.1927044068261257,0.2060795181961483
EOS-3-08070,FC(F)(F)c1cnc(Cc2cncc3nnc(-c4cnc(-c5cncnn5)nc4)n23)cn1,ZISDZXMQPZODND-UHFFFAOYSA-N,3,1,0.313,85,362,437.349,1.833,5,0.41,0.68,1.0,0.3164108011788089,0.3032520046604071,0.47063258172846273,0.3458039202247961,0.35902482694811866
EOS-3-08071,Cn1cc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)cn2)cn1,HWYNKTYFLDJJOW-UHFFFAOYSA-N,3,1,0.3,39,972,438.43,2.974,6,0.417,0.71,1.0,0.00484887944623398,0.08059762867521075,0.31289836200397503,0.3654478788294154,0.19094818723870877
EOS-3-08072,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)n2)cc1,UCFQUAKBYGAPJV-UHFFFAOYSA-N,3,1,0.303,10,748,454.404,3.169,6,0.399,0.72,0.79,0.013629977383318484,0.13256459461311768,0.34219724487697895,0.510237475155918,0.2496573230073333
EOS-3-08073,Cc1cnc(-c2cnc(Cc3cncc4nnc(-c5cc(F)ccc5Cl)n34)cn2)cn1,VLDGEZCXHYJWDH-UHFFFAOYSA-N,3,1,0.342,85,674,432.85,3.73,5,0.427,0.73,1.0,0.3263570008909602,0.4942173257487492,0.5088753341100678,0.5855150435199781,0.4787411760674388
EOS-3-08074,O=C(O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)c(F)c5F)n4)n23)cc1,HFOMGZYWUYWSKL-UHFFFAOYSA-N,3,1,0.418,29,704,449.352,3.426,5,0.415,0.75,1.0,0.33387019395517786,0.22136933726269617,0.744894112809266,0.6857566307998081,0.49647256870673706
EOS-3-08075,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(C)nn5)ccc4Cl)n23)cc1,GETXWLQEYRQMAJ-UHFFFAOYSA-N,3,1,0.396,61,124,456.897,3.632,5,0.439,0.7,1.0,0.2500942361729833,0.347405935165513,0.40218285244328694,0.3685576725378658,0.3420601740799123
EOS-3-08076,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CNc4cccc(-c5cccnn5)c4)n23)cc1,GYHONJKQSXRCPA-UHFFFAOYSA-N,3,1,0.368,62,302,462.517,3.753,6,0.379,0.85,1.0,0.18648481940922487,0.043425741895689124,0.2012199300938935,0.2039870468096772,0.15877938455212118
EOS-3-08077,Fc1cc(F)cc(-c2nnc3cncc(OCc4cccc(-c5cnc(F)cn5)c4)n23)c1,YDADWAQWXHSHFJ-UHFFFAOYSA-N,3,1,0.541,59,439,434.381,4.245,5,0.412,0.8,1.0,0.8393187581385786,0.8805770680556507,0.9227177712288397,0.9160355698718388,0.8896622918237269
EOS-3-08078,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)c5)ncn4)n23)nc1,MIKZUSPNYWCORA-UHFFFAOYSA-N,3,1,0.41,44,348,458.869,2.975,5,0.41,0.72,0.998,0.46160304297169485,0.4001524912617367,0.3612415187444315,0.3523233500102803,0.39383010074703584
EOS-3-08079,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)c1,DNSPSZPLFWBIJV-UHFFFAOYSA-N,3,1,0.303,32,174,428.459,4.372,6,0.411,0.86,1.0,0.08990130902611199,0.09666061270646288,0.594981495442396,0.60054999657323,0.3455233534370502
EOS-3-08080,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)cc2)n(C)n1,ONNQAURGZNKERD-UHFFFAOYSA-N,3,1,0.279,98,973,435.455,2.538,6,0.415,0.71,1.0,0.023867452539236517,0.03371084915358783,0.07497772599547667,0.07926975532862723,0.052956445754232064
EOS-3-08081,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnco6)nn5)n34)cc2)ccn1,LHVNBQPWWFORSX-UHFFFAOYSA-N,3,1,0.301,42,303,433.435,3.669,6,0.41,0.77,1.0,0.1669093962031389,0.12924062778425058,0.3020269344116236,0.3112363785895415,0.22735333424713866
EOS-3-08082,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4nccnc4-c4ccccc4F)n23)nc1,YHASAYYGRLZHOL-UHFFFAOYSA-N,3,1,0.325,39,654,452.417,2.035,6,0.39,0.72,1.0,0.1256682201357001,0.2161777808237955,0.03955349187855527,0.08972997052977863,0.11778236584195736
EOS-3-08083,Cn1nc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc1-c1nnnn1C,BCVXJVFASLXCLG-UHFFFAOYSA-N,3,1,0.278,98,746,435.455,2.444,6,0.414,0.73,1.0,0.03589541498183812,0.030532520046604072,0.0439911589335892,0.0792783222534439,0.04742435405386883
EOS-3-08084,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)cc1C,JFTGJWAQWKZWFU-UHFFFAOYSA-N,3,1,0.38,62,139,420.476,4.236,5,0.469,0.83,1.0,0.13158796518401755,0.039939003495305325,0.6578969912960044,0.526874443149887,0.3390746007813036
EOS-3-08085,Cc1cncc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)n1,BUGNPPUDZQZPRP-UHFFFAOYSA-N,3,1,0.278,98,213,448.454,2.204,6,0.394,0.73,1.0,0.09704612432321294,0.058632033445274484,0.0527722568706737,0.06295833047769173,0.06785218627921322
EOS-3-08086,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cc5)n34)nc2)n1C,UYPGUNUZNODSDE-UHFFFAOYSA-N,3,1,0.33,98,882,448.494,3.358,6,0.407,0.72,1.0,0.09220581180179563,0.054562744157357276,0.16179494208758824,0.14695702830511959,0.11388013158796517
EOS-3-08087,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccsc5)n4)n23)cn1,YKXLRFQEZONZQZ-UHFFFAOYSA-N,3,1,0.5,4,390,447.455,3.127,5,0.424,0.74,1.0,0.49137310670961554,0.40938763621410457,0.2911469398944555,0.24777259954766637,0.3599200705914605
EOS-3-08088,CCn1cnc(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,QNMOALLSJHASEA-UHFFFAOYSA-N,3,1,0.321,62,302,449.518,4.234,6,0.419,0.87,1.0,0.11780378315399904,0.054571311082173946,0.11715269686793228,0.17598176958399014,0.11637739017202385
EOS-3-08089,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)nc5C)cn4)n23)cn1,PNLUODCLOSHXFU-UHFFFAOYSA-N,3,1,0.333,82,974,425.456,2.317,5,0.47,0.69,1.0,0.08990987595092866,0.050801864162840105,0.11394010006168186,0.052678020697690356,0.07683246521828524
EOS-3-08090,Cc1cc(-c2ccc(C#N)cn2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)s3)n12,YYJUBRIEPKSAAR-UHFFFAOYSA-N,3,1,0.294,62,523,437.488,3.861,5,0.455,0.73,1.0,0.1421681173326023,0.08060619560002741,0.460052429579878,0.42874031937495716,0.2778917654718662
EOS-3-08091,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)cn2)o1,SYHCGURHADODQM-UHFFFAOYSA-N,3,1,0.535,16,483,433.859,4.086,5,0.408,0.83,1.0,0.6671321362483723,0.6985727503255431,0.43505414296484135,0.41913679665547254,0.5549739565485573
EOS-3-08092,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(C)n6)c5)n34)cc2)nn1,OOGQMGQRCCAVPQ-UHFFFAOYSA-N,3,1,0.305,9,150,445.49,4.113,6,0.402,0.78,1.0,0.0030155575354670686,0.04343430882050579,0.3539424988006305,0.30502535809745734,0.17635443081351518
EOS-3-08093,CCc1c(COc2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)cnc(Cl)c1F,IYEJAUXGLQMDQL-UHFFFAOYSA-N,3,1,0.452,90,555,441.854,2.875,4,0.458,0.7,1.0,0.60003598108423,0.5305753546706874,0.3351209649784114,0.2537266122952505,0.4298647282571447
EOS-3-08094,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccncc4-c4ccc(F)cc4F)n23)cc1,RIQFDIQCXNMVSK-UHFFFAOYSA-N,3,1,0.374,62,3,442.429,4.158,5,0.452,0.72,1.0,0.3618069357823316,0.32795044890686037,0.8619611404290316,0.8240953327393599,0.5939534644643959
EOS-3-08095,Cn1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1,LCGITGKWRZHIIG-UHFFFAOYSA-N,3,1,0.449,36,258,437.826,2.748,5,0.413,0.72,1.0,0.5689209101500925,0.712965184017545,0.380182989514084,0.45714824206702764,0.5298043314371873
EOS-3-08096,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,DAFCLHFPUWCXKS-UHFFFAOYSA-N,3,1,0.357,10,952,436.414,3.03,6,0.414,0.72,0.993,0.04749503118360633,0.23161537934343088,0.2257042012199301,0.33304776917277773,0.20946559522993624
EOS-3-08097,N#Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)c1,RSNTXUSNYGFVRQ-UHFFFAOYSA-N,3,1,0.5,87,846,420.436,3.136,5,0.411,0.83,1.0,0.728077239394147,0.77529812898362,0.4881005414296484,0.47568706737029676,0.616790744294428
EOS-3-08098,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cc4C#N)n23)cn1,MELCEUABHVUBKZ-UHFFFAOYSA-N,3,1,0.341,96,204,451.465,4.153,5,0.437,0.77,1.0,0.47131793571379615,0.5261548214652868,0.9053783153999041,0.8142433692001919,0.6792736104447947
EOS-3-08099,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)c(F)c1,HCIHEXFUWGAKOT-UHFFFAOYSA-N,3,1,0.31,98,765,454.433,1.978,6,0.392,0.7,1.0,0.22829997943938043,0.33246521828524433,0.10066993352066342,0.137507710232335,0.1997357103694058
EOS-3-08100,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)nc2)o1,VOOWEWFNIAYGLK-UHFFFAOYSA-N,3,1,0.258,25,213,436.439,3.007,6,0.41,0.73,1.0,0.06447467617024193,0.06635083270509218,0.13725070248783497,0.1330700431773011,0.10028656363511754
EOS-3-08101,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3)n12,ZFGVIRIAWANDKW-UHFFFAOYSA-N,3,1,0.32,39,854,450.441,3.245,6,0.402,0.75,0.995,0.10946816530738127,0.22673223219793023,0.12543691316565006,0.24198135837159893,0.17590466726064014
EOS-3-08102,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5(C)CC5)cc4)n23)nc1,FTYDVLLHJLBUEE-UHFFFAOYSA-N,3,1,0.311,52,295,451.494,2.931,6,0.437,0.74,1.0,0.1340723733808512,0.05457987800699061,0.04101843602220547,0.05842642724967446,0.07202427866493044
EOS-3-08103,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nccn5C)nn4)n23)nc1,GFVDPODZZNCRNX-UHFFFAOYSA-N,3,1,0.324,33,60,440.471,1.717,5,0.423,0.66,0.669,0.05236104447947365,0.01188232472071825,0.02181139058323624,0.008806798711534508,0.02371538962374066
EOS-3-08104,OCc1cc(-c2nnc3cncc(-c4cnc(-c5cc(F)ccn5)cn4)n23)ccc1Cl,LCWJAQMHJFRJBS-UHFFFAOYSA-N,3,1,0.351,50,845,433.834,3.595,5,0.462,0.69,1.0,0.3639486669864985,0.6066325131930642,0.8013415804262902,0.8439962990884792,0.653979764923583
EOS-3-08105,Cn1ccnc1-c1ccc(OCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,AKLOBSXJAUOAIC-UHFFFAOYSA-N,3,1,0.377,52,916,466.505,3.058,6,0.392,0.8,1.0,0.28465321088342127,0.10307723939414708,0.11992838050853266,0.09567541635254609,0.15083356178466176
EOS-3-08106,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccncc4-c4ccccc4)n23)c1,SQMXAAUXXFJAAG-UHFFFAOYSA-N,3,1,0.299,42,213,432.451,3.106,6,0.418,0.73,1.0,0.0922143787266123,0.03371941607840449,0.2119200191899116,0.29540470152833936,0.15831462888081693
EOS-3-08108,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)cc1,JVHJDBYFLAPRJH-UHFFFAOYSA-N,3,1,0.297,10,952,452.869,3.544,6,0.399,0.77,0.999,0.011111301487218148,0.15133472688643684,0.27654033308203685,0.43520834761154137,0.2185486772668083
EOS-3-08109,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nncc(-c5cccs5)n4)n23)cc1F,NREHYGLDOLMXIZ-UHFFFAOYSA-N,3,1,0.312,74,295,458.482,3.403,6,0.43,0.71,0.998,0.13687375779590158,0.19244739908162567,0.10329141251456377,0.20399561373449387,0.1591520457816462
EOS-3-08110,Fc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)cn1,DIOFSSPKUMVEMD-UHFFFAOYSA-N,3,1,0.3,42,957,437.398,3.499,6,0.381,0.82,1.0,0.2550630525666507,0.2982489205674731,0.33871907340141183,0.3911229525049688,0.32078849976012613
EOS-3-08111,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccnc(Cl)c5)no4)n23)cc1,FBIQNNVONVAWEP-UHFFFAOYSA-N,3,1,0.452,89,731,462.857,2.828,5,0.378,0.77,1.0,0.5243900349530533,0.42764375299842367,0.19785312864094304,0.1519858131725036,0.3254681824412309
EOS-3-08112,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cnc(C)s5)s4)n23)c(F)c1,VXYCLFVITWYCSN-UHFFFAOYSA-N,3,1,0.346,74,768,452.5,3.24,5,0.446,0.71,1.0,0.12567678706051677,0.2567850044548009,0.06837262696182578,0.059968473716674665,0.12770072304845453
EOS-3-08113,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n2)cc1,HVBXUURCAGOOIE-UHFFFAOYSA-N,3,1,0.31,39,144,453.416,3.774,6,0.401,0.77,0.94,0.027285655541086973,0.13257316153793433,0.4494808443561099,0.5947673223219793,0.3010267459392776
EOS-3-08114,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)nn4C)n23)cc1,ZJKSGGQOQIWRMD-UHFFFAOYSA-N,3,1,0.427,89,398,455.482,2.31,5,0.396,0.73,1.0,0.31118497704064146,0.16693509697758893,0.027105750119936947,0.010605852923034748,0.12895791926530054
EOS-3-08115,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ncccc5F)n4)n23)c(F)c1,WDSAFELPQGWDED-UHFFFAOYSA-N,3,1,0.352,45,140,461.407,3.692,5,0.438,0.73,1.0,0.284661777808238,0.4093962031389213,0.7011685285449935,0.6769498320882736,0.5180440853951065
EOS-3-08116,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnn5)n4)n23)cc1,BGPUDKFUPICRGI-UHFFFAOYSA-N,3,1,0.441,89,408,440.427,1.372,5,0.411,0.68,1.0,0.4407854156671921,0.15535261462545405,0.10587862380919745,0.052686587622507025,0.18867581043108764
EOS-3-08117,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)cn1,HIFQXSNKEOKUPL-UHFFFAOYSA-N,3,1,0.598,97,232,439.866,4.352,5,0.401,0.81,1.0,0.9505774107326435,0.9701699677883627,0.8514238229045302,0.8475687067370297,0.9049349770406415
EOS-3-08118,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)cn2)n[nH]1,QLDMSXYMTKLVTR-UHFFFAOYSA-N,3,1,0.573,13,573,422.811,3.865,5,0.468,0.82,1.0,0.7837622507024878,0.7582927832225345,0.5594373243780413,0.6068295524638476,0.6770804776917279
EOS-3-08119,COc1cnc(Oc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5)c4)n23)cn1,HMGCYOFLQQQGEZ-UHFFFAOYSA-N,3,1,0.47,97,412,431.843,4.098,5,0.41,0.79,1.0,0.7280858063189637,0.7220289904735796,0.5824138167363443,0.5370605167569049,0.6423972825714481
EOS-3-08120,Cn1nc(-c2ncccn2)nc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)nc3)n12,HVLNKIAFEKELGH-UHFFFAOYSA-N,3,1,0.361,10,979,450.441,3.245,6,0.402,0.73,0.988,0.09947056404632992,0.24184428757453225,0.12544548009046672,0.21301658556644507,0.1699442293194435
EOS-3-08121,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(Cl)cn2)n1,XCODXSBACBGEKJ-UHFFFAOYSA-N,3,1,0.516,36,258,462.861,1.708,5,0.397,0.74,1.0,0.5526351860736071,0.4543811253512439,0.12286683572064971,0.11043622781166472,0.3100798437392913
EOS-3-08122,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)cn2)cc1,WDSJUIOOCDOKMM-UHFFFAOYSA-N,3,1,0.329,76,750,436.414,3.235,6,0.447,0.69,0.961,0.21706017407991227,0.3374683023781783,0.3801915564389007,0.4696131176752793,0.3510832876430676
EOS-3-08123,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,ARKHRQBSSODPJK-UHFFFAOYSA-N,3,1,0.315,30,945,431.463,3.711,6,0.419,0.76,1.0,0.10201494071688026,0.04719518881502296,0.28389932149955455,0.32985230621616063,0.1907404393119046
EOS-3-08124,Cn1cc(-c2cc(Cl)cc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C#N)n34)c2)cn1,VONIMJRYOAMQBA-UHFFFAOYSA-N,3,1,0.327,61,648,454.881,3.483,5,0.442,0.71,0.891,0.16434788568295525,0.2519875265574669,0.7611627030361181,0.7295850181618806,0.4767707833596052
EOS-3-08125,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(F)c5)n4)n23)cc1,KUIVCHQSJCXOHZ-UHFFFAOYSA-N,3,1,0.474,89,731,456.441,2.721,5,0.387,0.76,1.0,0.6369594270440683,0.3856401206223014,0.36495956411486535,0.23613014872181481,0.40592231512576243
EOS-3-08126,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4cccnc4F)n23)cc1,ZGMQCCGUZZXWCE-UHFFFAOYSA-N,3,1,0.495,89,731,442.414,2.46,5,0.396,0.75,0.999,0.6199540812829827,0.3032605715852238,0.30563360975944076,0.23319169350969776,0.3655099890343363
EOS-3-08127,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]cn5)cc4F)n23)cn1,YESCGQODBZYODU-UHFFFAOYSA-N,3,1,0.297,42,369,437.442,3.783,6,0.45,0.74,0.998,0.219827290795696,0.24695874169008292,0.5394421218559385,0.5340449592214379,0.38506827839078883
EOS-3-08128,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,JZMLZMGDSOJQMO-UHFFFAOYSA-N,3,1,0.354,98,39,420.44,2.834,6,0.432,0.8,1.0,0.00785587005688438,0.01189089164553492,0.16810019875265575,0.20083441847714345,0.09717034473305462
EOS-3-08129,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(F)c(C#N)n5)n34)nc2)CC1,ZGOXALSVOLIAPI-UHFFFAOYSA-N,3,1,0.37,63,505,428.431,2.465,5,0.518,0.62,1.0,0.12568535398533343,0.18817250359810841,0.09324240970461244,0.16008155712425468,0.14179545610307726
EOS-3-08130,Clc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)c1,YGPOTNGTOGGBCD-UHFFFAOYSA-N,3,1,0.457,44,481,430.859,3.313,5,0.404,0.75,0.984,0.6000445480090467,0.535227194846138,0.2876602014940717,0.35233191693509697,0.44381596532108836
EOS-3-08131,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(Cl)nn5)n4)n23)nc1,PSISOIDVINUZRB-UHFFFAOYSA-N,3,1,0.28,33,432,433.823,1.237,5,0.442,0.64,0.118,0.028485025015420464,0.1127064628880817,0.029333150572270577,0.028262284970187103,0.04969673086148996
EOS-3-08132,CNC(=O)c1ccc(-c2nnc3cncc(OCc4csc(-c5cccnc5)n4)n23)cc1F,QPNXCRIDDVFVDM-UHFFFAOYSA-N,3,1,0.527,89,788,461.482,3.388,5,0.413,0.8,1.0,0.5243986018778699,0.46744568569666234,0.33512953190322803,0.24778116647248305,0.3936887464875608
EOS-3-08133,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)c1,UICNSAZRJOSBHS-UHFFFAOYSA-N,3,1,0.325,64,449,447.437,3.906,6,0.4,0.77,1.0,0.27124597354533614,0.3424713864711123,0.3539510657254472,0.43792406277842505,0.3513981221300802
EOS-3-08134,Cc1cn(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)(F)F)nn5)n34)cn2)cn1,GBOLKECGVXNQHL-UHFFFAOYSA-N,3,1,0.37,85,476,437.389,3.08,5,0.426,0.7,1.0,0.08486395723391131,0.16299431156192173,0.7270577753409636,0.5441282297306559,0.37976106846686314
EOS-3-08135,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnn(-c4ccc(C)nn4)c3)n12,VRBUKKZZMORPOK-UHFFFAOYSA-N,3,1,0.309,52,246,467.493,2.643,6,0.404,0.77,0.11,0.03328250291275444,0.062452881913508326,0.07054862586525941,0.05843499417449113,0.05617975121650332
EOS-3-08136,CC(C)(O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)cn4)n23)cn1,YIJXAOZJEKOJAZ-UHFFFAOYSA-N,3,1,0.366,82,155,427.443,3.677,5,0.467,0.74,1.0,0.3363546021520115,0.48487081077376465,0.7397710917688987,0.609887944623398,0.5427211123295181
EOS-3-08137,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cc1,VSNGCRRNPGQJPT-UHFFFAOYSA-N,3,1,0.286,25,213,450.441,3.245,6,0.376,0.78,1.0,0.15622644095675417,0.2620964978411349,0.3726355287505997,0.4287488862997738,0.30492683846206564
EOS-3-08138,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)nn1,XCMWQFASDDJJJY-UHFFFAOYSA-N,3,1,0.38,89,310,465.477,3.031,6,0.402,0.77,1.0,0.35724076485504763,0.14733397299705298,0.06427763689945858,0.05997704064149133,0.15720735384826262
EOS-3-08139,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)s4)n23)c1,XFIRFRVRRREETD-UHFFFAOYSA-N,3,1,0.284,25,213,437.492,3.772,6,0.414,0.75,1.0,0.07039442121855939,0.06635939962990885,0.19080254951682543,0.2597148927421013,0.14681781577684874
EOS-3-08140,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)nc4)n23)cc1,OSHOAYNEOJYZHU-UHFFFAOYSA-N,3,1,0.299,25,373,437.492,3.772,6,0.414,0.75,1.0,0.14217668425741894,0.1630028784867384,0.19786169556575972,0.25070248783496674,0.18843593653622095
EOS-3-08141,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Oc3ncc(-c4cnnn4C)cc3F)n12,BKHQAQQZWVIMQO-UHFFFAOYSA-N,3,1,0.4,36,412,445.418,2.321,5,0.435,0.67,1.0,0.39154273182098553,0.2932801041738058,0.2545233363032006,0.15453018984305394,0.27346909053526147
EOS-3-08142,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,IQOIGQZDWUMZES-UHFFFAOYSA-N,3,1,0.289,82,336,465.477,2.606,6,0.402,0.75,1.0,0.28748029607292164,0.0934651497498458,0.10067850044548009,0.10397676649989719,0.14640017819203618
EOS-3-08143,Cc1cc(-c2nnc3cncc(-c4cccc(-c5nnn(C)n5)c4)n23)cc(C(F)(F)F)c1,BBFAUVLGGOVOBI-UHFFFAOYSA-N,3,1,0.317,61,917,436.401,3.976,5,0.425,0.77,1.0,0.24736138715646633,0.3232900418065931,0.9122147214036049,0.8512010828592969,0.5835168083064903
EOS-3-08144,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc1)N1CCCC1,XZZUMGFHUZTZLM-UHFFFAOYSA-N,3,1,0.333,62,376,446.514,4.756,6,0.398,0.88,1.0,0.04328010417380577,0.005482831882667398,0.030395449249537385,0.16265163456925502,0.06045250496881639
EOS-3-08145,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,OWBPYBIVGLEYIF-UHFFFAOYSA-N,3,1,0.318,10,298,435.426,3.635,6,0.417,0.75,1.0,0.028493591940237133,0.1513432938112535,0.43889212528270855,0.55031354944829,0.2922606401206223
EOS-3-08146,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)nc4)n23)cc1,UBKUOEWQFKHXNK-UHFFFAOYSA-N,3,1,0.324,42,761,432.451,3.106,6,0.418,0.7,1.0,0.16161503666643823,0.06636796655472552,0.2802412446028374,0.25373517922006716,0.19048985676101707
EOS-3-08147,NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnc(F)c5)c4)n23)cc1F,WCMOZSWWJXFPBU-UHFFFAOYSA-N,3,1,0.337,96,246,418.367,2.416,5,0.448,0.78,1.0,0.023876019464053183,0.14009492152696867,0.6310739496950175,0.6005585634980467,0.3489008635460215
EOS-3-08148,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnc5)cn4)n23)cn1,NQDMCGOQAVNFBU-UHFFFAOYSA-N,3,1,0.289,86,780,434.427,1.896,6,0.404,0.71,1.0,0.09222294565142897,0.05458844493180728,0.06838119388664245,0.07553457610856007,0.0726817901446097
EOS-3-08149,N#Cc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c1,FREZTSKBUGVNGX-UHFFFAOYSA-N,3,1,0.567,35,161,437.438,3.881,5,0.397,0.8,1.0,0.9455057912411761,0.9056524569940374,0.8225789870468097,0.7989085737783566,0.8681614522650949
EOS-3-08150,Cn1ccnc1-c1ncncc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,NMWRCOLASLHXGN-UHFFFAOYSA-N,3,1,0.474,65,510,433.863,2.652,5,0.402,0.71,1.0,0.5887876087999452,0.5216314851620862,0.1254540470152834,0.16266020149407168,0.3496333356178466
EOS-3-08151,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cc4)n23)cc1,UHXKNJQVYFKLEH-UHFFFAOYSA-N,3,1,0.349,62,302,450.477,4.552,6,0.397,0.86,1.0,0.26326159961620177,0.2469673086148996,0.582422383661161,0.645192241792886,0.4344608834212871
EOS-3-08152,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cn1,LVRDHFDFCBFETC-UHFFFAOYSA-N,3,1,0.293,86,812,433.439,2.501,6,0.412,0.71,1.0,0.10202350764169693,0.04720375573983963,0.08636316907682819,0.08610616133232815,0.08042414844767323
EOS-3-08153,CCn1cncc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)cn1,VQCFOAYSLCISTK-UHFFFAOYSA-N,3,1,0.315,74,768,460.448,3.375,5,0.431,0.71,1.0,0.32636556781577686,0.272411075320403,0.5463641971078061,0.460232335001028,0.4013432938112535
EOS-3-08154,c1cnc(-c2nccnc2-c2nnc3cncc(-c4nccnc4-c4ccncc4)n23)nc1,AARFYEGGECGHHY-UHFFFAOYSA-N,3,1,0.288,86,953,431.423,2.557,6,0.41,0.74,0.999,0.055667877458707424,0.027748269481187034,0.043999725858405864,0.06793571379617573,0.04883789664861901
EOS-3-08155,CCn1cnc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)cc1F,DAMXRSIUDGKADJ-UHFFFAOYSA-N,3,1,0.319,82,336,456.485,3.544,5,0.434,0.74,0.759,0.3263741347405935,0.30821225412925773,0.26885580152148586,0.19271297375094237,0.2740387910355699
EOS-3-08156,N#Cc1cc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)ccc1Cl,FXGPBMVDKZMZLN-UHFFFAOYSA-N,3,1,0.506,51,969,441.842,3.142,5,0.404,0.74,1.0,0.8393273250633952,0.9214241655815228,0.6405575354670687,0.6422366527311356,0.7608864197107805
EOS-3-08157,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ccncn5)c4)n23)cc1,PJCRTDUHLKSELQ-UHFFFAOYSA-N,3,1,0.318,94,151,436.414,3.03,6,0.414,0.73,0.772,0.007264752244534302,0.15135186073607018,0.41642108148858886,0.46962168460009596,0.2611648447673223
EOS-3-08158,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5)n4C)n23)cn1,LWFSCMZSIHHYCS-UHFFFAOYSA-N,3,1,0.319,8,754,436.443,1.839,6,0.406,0.7,1.0,0.06629943115619218,0.03372798300322116,0.018324652182852442,0.022925090809403057,0.03531928928791721
EOS-3-08159,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)o1,CHOOJPGNIRUZQN-UHFFFAOYSA-N,3,1,0.383,33,53,469.465,2.411,6,0.377,0.8,0.991,0.15887362072510453,0.062461448838324996,0.027114317044753616,0.022034130628469605,0.06762087930916319
EOS-3-08160,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)n2)o1,SXKATTSQEKVPJE-UHFFFAOYSA-N,3,1,0.382,33,53,469.465,2.411,6,0.377,0.8,0.967,0.22241450209032965,0.062470015763141665,0.016628401069152216,0.014392433692001919,0.07897633815365636
EOS-3-08161,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nncs5)c4)n23)cc1,QUQCDUWAIJTLJL-UHFFFAOYSA-N,3,1,0.462,89,398,470.518,3.176,6,0.385,0.83,1.0,0.37323521348776645,0.1361798368857515,0.09117778082379549,0.09973613871564663,0.17508224247824
EOS-3-08162,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cn4)n23)cc1,BAAGBGMREYZEHF-UHFFFAOYSA-N,3,1,0.319,38,193,432.451,3.106,6,0.418,0.71,1.0,0.07040298814337605,0.03373654992803783,0.25089952710575014,0.25071105475978345,0.15143752998423687
EOS-3-08163,NC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(OC(F)F)nc5)n4)n23)cc1,OVIWIHVRKUWGCR-UHFFFAOYSA-N,3,1,0.388,74,333,461.392,2.406,5,0.402,0.76,0.999,0.4913816736344322,0.4322955931738743,0.4945000342676993,0.39688849290658623,0.45376644849564796
EOS-3-08164,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(C(=O)OC)n4)n23)nc1,WFDZMZQHRXYYDM-UHFFFAOYSA-N,3,1,0.421,33,457,420.389,0.701,4,0.442,0.78,0.992,0.29296312795558904,0.08732266465629497,0.013989788225618532,0.0013621410458501816,0.09890943047083818
EOS-3-08165,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)n1,VMPHOSSCRIONQU-UHFFFAOYSA-N,3,1,0.494,52,310,465.517,4.185,6,0.404,0.86,1.0,0.4431755876910424,0.1881810705229251,0.20484373929134397,0.18697313412377492,0.2557933829072716
EOS-3-08166,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cc1,SQLWMZCYIZHWOS-UHFFFAOYSA-N,3,1,0.324,74,450,442.418,2.018,6,0.409,0.68,0.999,0.021648619011719553,0.0840929340004112,0.10862003975053115,0.16266876841888836,0.09425759029538758
EOS-3-08167,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)nn1,UCOSVMBJMIUDEV-UHFFFAOYSA-N,3,1,0.329,42,762,434.423,3.064,6,0.407,0.73,1.0,0.17797786306627372,0.13258172846275101,0.14616030429716947,0.14696559522993627,0.1509213727640326
EOS-3-08168,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)cn1,JABIAFFVTUJEOK-UHFFFAOYSA-N,3,1,0.295,70,935,432.451,3.106,6,0.418,0.74,1.0,0.1070351586594476,0.04344287574532246,0.17472243163593995,0.18440305667877457,0.12740088067987115
EOS-3-08169,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cc2)n1,CCBYMXTUIDSKSN-UHFFFAOYSA-N,3,1,0.32,9,508,432.451,3.106,6,0.418,0.74,1.0,0.1230039065177164,0.062478582687958334,0.21192858611472826,0.22141217188677953,0.15470581180179563
EOS-3-08170,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4nccn4C(F)F)cn3)n12,NPJGQFGZFDRMSN-UHFFFAOYSA-N,3,1,0.317,74,155,446.421,3.519,5,0.442,0.68,1.0,0.25010280309780003,0.19704783770817627,0.6340980741553012,0.5038122815434172,0.39626524912617367
EOS-3-08171,CC1(O)CN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cc2)C1,SPDITINXOONYIS-UHFFFAOYSA-N,3,1,0.287,0,782,469.505,1.952,6,0.458,0.78,1.0,0.1895860461928586,0.09030395449249537,0.013364402714001782,0.02913611130148722,0.08059762867521075
EOS-3-08172,CONC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5noc(C)n5)cn4)n23)cc1,OJVLZQGPZAQRSR-UHFFFAOYSA-N,3,1,0.388,89,310,444.411,2.628,5,0.388,0.8,1.0,0.4431841546158591,0.20191385100404358,0.1712785278596395,0.06464601466657528,0.22025563703652937
EOS-3-08173,Cc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)n1,QFQDCTVCRGPWMX-UHFFFAOYSA-N,3,1,0.5,7,408,439.439,2.025,5,0.419,0.67,1.0,0.47648379137824687,0.14734253992186966,0.1432561167843191,0.07156808991844288,0.20966263450071962
EOS-3-08174,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cc2)c1,SCRKCUSWVAUPBL-UHFFFAOYSA-N,3,1,0.359,3,150,435.426,3.635,6,0.417,0.73,1.0,0.008387019395517784,0.18376910424234116,0.6254369131656501,0.6942978548420259,0.37797272291138373
EOS-3-08175,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N(C)c5cccc(C#N)c5)nc4)n23)cc1,OCOPXJWLWMNPJQ-UHFFFAOYSA-N,3,1,0.358,62,124,445.486,4.31,5,0.409,0.82,1.0,0.15888218764992118,0.12924919470906723,0.5918460009594956,0.4696302515249126,0.33740190871084913
EOS-3-08176,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4cccc(F)c4)n23)cc1,KJRJIOVSGSZQOX-UHFFFAOYSA-N,3,1,0.375,67,642,450.441,3.245,6,0.402,0.74,1.0,0.19233602905900898,0.30822082105407445,0.31681344664519223,0.4030481118497704,0.3051046021520115
EOS-3-08177,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cn5)n34)nc2)n1,MRRCTSGXNBBFNN-UHFFFAOYSA-N,3,1,0.325,70,301,450.441,3.245,6,0.402,0.74,0.999,0.11508806798711535,0.24697587553971626,0.31290692892879174,0.39113151942978547,0.2665255979713522
EOS-3-08178,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5(C)COC5)cc4)n23)cc1,PCGAWOBJGRHEHT-UHFFFAOYSA-N,3,1,0.327,62,269,466.505,2.773,6,0.424,0.74,1.0,0.16162360359125488,0.050810431087656774,0.20122849701871015,0.1545387567678706,0.14205032211637308
EOS-3-08179,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cn(-c4cccc(F)n4)nn3)n12,LZHPCVHKXNWZND-UHFFFAOYSA-N,3,1,0.333,52,997,471.456,2.474,6,0.375,0.81,0.968,0.14771091768898637,0.23162394626824756,0.10329997943938043,0.1222071825097663,0.15121050647659515
EOS-3-08180,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cn4)n23)cc1Cl,ZYCXKIKJNPTQIM-UHFFFAOYSA-N,3,1,0.326,74,845,470.884,2.646,6,0.41,0.73,1.0,0.19779316016722637,0.23647282571448153,0.10862860667534782,0.21586937153039545,0.1896909910218628
EOS-3-08181,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5F)o4)n23)cc1,OPRYKCAHDGHACM-UHFFFAOYSA-N,3,1,0.368,3,641,439.414,3.443,6,0.411,0.75,1.0,0.21416455349187855,0.31859536700705915,0.2688643684463025,0.3266482763347269,0.2820681413199918
EOS-3-08182,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)c(F)c1,BAFIYKSICKAJRA-UHFFFAOYSA-N,3,1,0.347,25,791,449.453,3.85,6,0.403,0.75,0.997,0.21706874100472895,0.29825748749228975,0.37655918031663355,0.4817610170653142,0.3434116064697416
EOS-3-08183,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)cn4)n23)nc1,SRLBKAWAXBTQPC-UHFFFAOYSA-N,3,1,0.432,46,959,442.414,2.46,5,0.396,0.74,1.0,0.5013621410458502,0.29328867109862244,0.41258309917072167,0.3203601535192927,0.3818985162086218
EOS-3-08184,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)cc1,VHOGZVOUZCOXOY-UHFFFAOYSA-N,3,1,0.301,64,27,468.431,3.384,6,0.387,0.8,1.0,0.18959461311767528,0.3186039339318758,0.38020012336371733,0.50012850387225,0.34713179357137963
EOS-3-08185,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)n2)c1,YQSYZFSHQXWLLK-UHFFFAOYSA-N,3,1,0.315,3,973,440.858,3.478,6,0.446,0.73,0.87,0.04328867109862244,0.19705640463299295,0.2651548900006854,0.4191453635802892,0.23116133232814748
EOS-3-08186,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,JETCITCECBZUIG-UHFFFAOYSA-N,3,1,0.287,52,523,466.505,3.155,6,0.409,0.81,1.0,0.18960318004249194,0.054597011856623946,0.12287540264546638,0.10398533342471386,0.11776523199232403
EOS-3-08187,COc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)nn1,KUZKPVLXSIZUPF-UHFFFAOYSA-N,3,1,0.556,4,946,446.858,3.279,5,0.387,0.74,1.0,0.8730638749914331,0.9232317867178398,0.34607806181892947,0.32665684325954353,0.6172576416969364
EOS-3-08188,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)nc2)cn1,HUANOYUGPHUCMN-UHFFFAOYSA-N,3,1,0.483,51,969,427.403,2.572,5,0.42,0.73,1.0,0.6283325337536838,0.6299688163936673,0.6106761017065314,0.5268830100747036,0.5989651154821465
EOS-3-08189,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nncn5C)cn4)n23)cn1,VKSBYJFUYAQFJJ-UHFFFAOYSA-N,3,1,0.365,92,412,428.416,1.529,5,0.441,0.72,1.0,0.3893067644438352,0.18377767116715785,0.047357960386539645,0.016722637242135564,0.15929125830991706
EOS-3-08190,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cc2)n1,XNAIRTFAUNHNLF-UHFFFAOYSA-N,3,1,0.324,9,508,446.478,3.414,6,0.405,0.74,1.0,0.07237338085120965,0.043451442670139125,0.22222602974436295,0.20982968953464465,0.1369701357000891
EOS-3-08191,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(Oc5cccnn5)nc4)n23)c1,OEANJUZRVASVPO-UHFFFAOYSA-N,3,1,0.518,59,16,433.378,3.626,5,0.4,0.78,1.0,0.7189020629154959,0.717531354944829,0.7586183263655678,0.6943064217668425,0.7223395414981838
EOS-3-08192,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5cncc(C#N)n5)n4)n23)cc1,IFICOTOIMWDEOY-UHFFFAOYSA-N,3,1,0.333,74,333,449.438,1.722,5,0.418,0.66,1.0,0.18371770269344118,0.09347371667466246,0.08403296552669454,0.061441984785141526,0.10566659241998493
EOS-3-08193,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5ccnc(Cl)c5)n34)c2)nn1,GTFLFQJVHHSKAH-UHFFFAOYSA-N,3,1,0.362,14,351,430.859,3.579,5,0.39,0.8,1.0,0.3937358645740525,0.42324035364265644,0.4310962236995408,0.435216914536358,0.420822339113152
EOS-3-08194,Fc1ccc(-c2nnc3cncc(Cc4cc(Cl)nc(-c5cnccn5)c4)n23)cc1F,DCUPUBIUAXCUGC-UHFFFAOYSA-N,3,1,0.376,14,575,435.825,4.166,5,0.394,0.79,1.0,0.40870228222877114,0.5631468028236584,0.8633318483996985,0.8947210609279693,0.6824754985950243
EOS-3-08195,N#Cc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,VJFGVTQDEKVYAL-UHFFFAOYSA-N,3,1,0.523,4,534,441.842,3.142,5,0.404,0.72,1.0,0.7251216503323967,0.9405541086971421,0.5530549653896237,0.5917860324857789,0.7026291892262354
EOS-3-08196,N#Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccn4)n23)nc1,BJXFYLWOYHLHOR-UHFFFAOYSA-N,3,1,0.483,11,503,437.438,3.881,5,0.397,0.79,1.0,0.7866578712905216,0.792474813241039,0.7564680282365842,0.7635528750599685,0.7747883969570284
EOS-3-08197,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5nnn(C)n5)cc4Cl)n23)c(C)c1,NVSHJHUASHVIEI-UHFFFAOYSA-N,3,1,0.327,74,413,460.889,2.365,5,0.432,0.68,1.0,0.22538722500171338,0.22137790418751285,0.11394866698649853,0.10182646837091358,0.16563506613665957
EOS-3-08198,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cc4)n23)cc1F,URHUEXVSNYYLCS-UHFFFAOYSA-N,3,1,0.345,96,648,460.419,4.297,5,0.405,0.83,1.0,0.36181550270714824,0.4276523199232404,0.9169693646768556,0.8962459735453362,0.6506707902131451
EOS-3-08199,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,XUKKCAQRHDHEDW-UHFFFAOYSA-N,3,1,0.375,9,98,431.463,3.711,6,0.419,0.75,1.0,0.08991844287574532,0.039947570420121994,0.4125916660955383,0.40305667877458706,0.23637858954149818
EOS-3-08200,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc1,ZGFOAQVTPMTDPU-UHFFFAOYSA-N,3,1,0.333,38,818,431.463,3.711,6,0.419,0.75,1.0,0.089927009800562,0.06637653347954219,0.38409807415530123,0.39689705983140294,0.2343246693167021
EOS-3-08201,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)n1,OKSHCJIFILJORY-UHFFFAOYSA-N,3,1,0.253,76,387,433.439,2.501,6,0.412,0.72,0.681,0.05236961140429031,0.020954698101569462,0.047366527311356314,0.09171749708724557,0.05310208347611542
EOS-3-08202,CCn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)ncn2)cn1,VJHMWUTYHNDZQX-UHFFFAOYSA-N,3,1,0.287,74,295,469.484,3.163,6,0.406,0.8,1.0,0.12865807689671716,0.15915632924405457,0.14945000342676992,0.18174730998560756,0.15475292988828732
EOS-3-08203,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)ns4)n23)nc1,PDBBYWORECCILP-UHFFFAOYSA-N,3,1,0.441,89,348,444.48,2.643,5,0.424,0.72,1.0,0.2984031252141731,0.2267407991227469,0.042500514015489,0.026266191487903504,0.14847765746007816
EOS-3-08204,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1,QRCLHNTZEVHPAE-UHFFFAOYSA-N,3,1,0.329,42,327,432.451,3.106,6,0.418,0.72,1.0,0.12301247344253306,0.047212322664656296,0.2509080940305668,0.24479987663628264,0.1664831916935097
EOS-3-08205,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)cc1,HZIYYMLRDBHGBT-UHFFFAOYSA-N,3,1,0.329,42,725,432.451,3.106,6,0.418,0.72,1.0,0.07238194777602631,0.043460009594955794,0.3168220135700089,0.2954132684531561,0.18201930984853676
EOS-3-08206,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)n1,SLFWNFDSGCCPBI-UHFFFAOYSA-N,3,1,0.329,38,865,432.451,3.106,6,0.418,0.72,1.0,0.09462168460009594,0.030541086971420738,0.187487149612775,0.21302515249126175,0.13141876841888836
EOS-3-08207,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)nn1,YDOJQBDUVSZKPN-UHFFFAOYSA-N,3,1,0.284,70,957,432.451,3.106,6,0.418,0.76,0.975,0.0159944486327188,0.014401000616818586,0.26887293537111917,0.28050681927215404,0.14494380097320264
EOS-3-08208,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ncccc4-c4ccccc4)n23)cn1,QIWFNACFUDXMQX-UHFFFAOYSA-N,3,1,0.305,30,522,431.463,3.711,6,0.419,0.77,1.0,0.08275649372901103,0.018864368446302515,0.20836474539099445,0.27155438283873623,0.14538499760126106
EOS-3-08209,COc1cccc(F)c1-c1ccc(-c2cncc3nnc(-c4ccc(N(C)C)nc4)n23)cn1,PVAOIMURMYIRMS-UHFFFAOYSA-N,3,1,0.386,96,478,441.47,4.129,5,0.406,0.81,1.0,0.18961174696730862,0.28266568432595435,0.5982797614968131,0.3969056267562196,0.3668657048865739
EOS-3-08210,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)cc1,FULJNKOSZGSLLE-UHFFFAOYSA-N,3,1,0.359,98,973,455.873,2.883,6,0.398,0.75,1.0,0.044753615242272636,0.22674936604756357,0.13398670413268454,0.23910287163319854,0.16114813926392982
EOS-3-08211,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ncc(-c5cccnc5)nn4)n23)cc1,RFZVQTKSDRVGBA-UHFFFAOYSA-N,3,1,0.273,94,342,430.435,3.162,6,0.415,0.75,0.72,0.09463025152491261,0.04346857651977246,0.15861661298060448,0.24480844356109932,0.13538097114659722
EOS-3-08212,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3nc(-c4ccc(F)cn4)ns3)n12,YPGLBQGOWZTHGI-UHFFFAOYSA-N,3,1,0.364,74,155,432.444,2.918,5,0.463,0.67,1.0,0.14483243095058598,0.2418528544993489,0.14037763004591872,0.14443835240901925,0.16787531697621821
EOS-3-08213,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NCc6cccnc6)cc5)n34)cn2)cn1,DPPYSLOEWVEOEV-UHFFFAOYSA-N,3,1,0.304,74,246,476.504,2.703,6,0.392,0.81,1.0,0.03590398190665479,0.0071962168460009595,0.30203550133644025,0.1869817010485916,0.1330293502844219
EOS-3-08214,Fc1cc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)ccc1Cl,WXEDZNMKGWGHOC-UHFFFAOYSA-N,3,1,0.556,68,255,424.745,3.972,4,0.461,0.76,1.0,0.9497292851757932,0.9788139949283805,0.9676512918922624,0.937641354259475,0.9584589815639779
EOS-3-08216,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cc2)n1,YYXUAXWTJPDGOX-UHFFFAOYSA-N,3,1,0.316,30,289,431.463,3.804,6,0.418,0.74,1.0,0.031971763415804266,0.0277568364060037,0.2545319032280173,0.26875299842368583,0.14575337536837776
EOS-3-08217,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)nn1,WTQNDSCNODAAEY-UHFFFAOYSA-N,3,1,0.302,25,373,447.466,2.809,6,0.401,0.72,1.0,0.06839832773627579,0.08410150092522788,0.1139572339113152,0.1245459529847166,0.09775075388938387
EOS-3-08218,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2)n1,KUQFBEVMLSVWPW-UHFFFAOYSA-N,3,1,0.568,15,161,428.431,3.107,5,0.406,0.76,1.0,0.9157185936536221,0.8640771708587486,0.4058666301144541,0.3622438489479816,0.6369765608937016
EOS-3-08219,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)cc1,GSAZQBZSGXJORB-UHFFFAOYSA-N,3,1,0.42,93,228,448.465,4.455,6,0.396,0.84,1.0,0.2791104105270372,0.4142365156603386,0.6579055582208211,0.7351363854430814,0.5215972174628195
EOS-3-08220,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncn(C)n6)cc5)n34)nn2)o1,DKTVIIMJPYKTIU-UHFFFAOYSA-N,3,1,0.31,98,63,437.427,2.402,6,0.404,0.71,1.0,0.1315965321088342,0.09031252141731204,0.04250908094030567,0.03732609142622164,0.07543605647316838
EOS-3-08221,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cc1,KVSHKOOGOFTUMF-UHFFFAOYSA-N,3,1,0.516,89,398,464.489,3.115,6,0.39,0.78,1.0,0.40871084915358785,0.16301144541155507,0.1339952710575012,0.12870947844561717,0.20860676101706532
EOS-3-08222,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,ANPOGGGOZFICET-UHFFFAOYSA-N,3,1,0.297,98,727,434.467,3.049,6,0.42,0.74,1.0,0.11202110890274827,0.054605578781440615,0.22223459666917963,0.19788739634020971,0.14668717017339455
EOS-3-08223,N#Cc1ccc(-c2nnc3cncc(-c4nc(Cl)cnc4OC(F)(F)F)n23)cn1,WLSPVZXCWKSMPY-UHFFFAOYSA-N,3,1,0.412,68,127,418.726,3.067,4,0.498,0.76,0.67,0.7369011719553149,0.8241296004386266,0.9122232883284216,0.8794462339798506,0.8381750736755533
EOS-3-08224,Fc1cccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,VFWFBSFZVTXUBN-UHFFFAOYSA-N,3,1,0.366,3,641,447.437,3.906,6,0.4,0.76,0.996,0.2819888972654376,0.41424508258515524,0.5159430470838188,0.6098965115482147,0.4555183846206566
EOS-3-08225,Cc1cc(-c2nc(-c3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)ccc2F)ncn1,RMTBUCRIYQEVDX-UHFFFAOYSA-N,3,1,0.345,82,155,442.458,3.38,5,0.45,0.7,0.726,0.380234391062984,0.43692173257487493,0.5496024946885066,0.3523404838599136,0.4297747755465698
EOS-3-08226,CCOc1cnc(-c2nnc(C)o2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,AEVMVJHGGFDSKG-UHFFFAOYSA-N,3,1,0.346,74,124,456.466,2.97,5,0.409,0.76,1.0,0.28467034473305464,0.09965903639229662,0.13107394969501748,0.05146151737372353,0.14171621204852305
EOS-3-08227,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)c1,ZSYRWKOZBUOHLS-UHFFFAOYSA-N,3,1,0.297,76,356,438.39,2.024,6,0.433,0.65,0.349,0.1643564526077719,0.20634295113426085,0.09118634774861216,0.18441162360359126,0.16157434377355906
EOS-3-08228,Cn1cc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)nn1,BLZWQEOOBOCMLA-UHFFFAOYSA-N,3,1,0.44,36,134,445.418,1.799,5,0.417,0.71,1.0,0.4022171201425536,0.3133524090192584,0.26516345692550203,0.2008429854019601,0.29539399287231854
EOS-3-08229,Cc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnn(C)n6)cc5)n34)cn2)n1,ISQBSWVUNXOVBP-UHFFFAOYSA-N,3,1,0.269,98,151,435.455,2.538,6,0.415,0.73,1.0,0.019678226303885958,0.020963265026386128,0.11396580083613186,0.0897385374545953,0.06108645740524982
EOS-3-08230,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cn5)n34)cc2)n(C)n1,BLAAWVHLSMSAJD-UHFFFAOYSA-N,3,1,0.308,98,882,436.443,2.137,6,0.44,0.69,1.0,0.1340809403056679,0.11553354807758207,0.05475978342814063,0.0514700842985402,0.0889610890274827
EOS-3-08231,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)c(F)c2)n1,FZWIRXRITRJLQS-UHFFFAOYSA-N,3,1,0.36,25,553,450.441,3.245,6,0.402,0.72,1.0,0.2032674251250771,0.26210506476595163,0.27654890000685356,0.3363717360016448,0.2695732814748818
EOS-3-08232,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(C)n5)cn4)n23)nc1,QQKIYMCQDGGJGM-UHFFFAOYSA-N,3,1,0.392,33,113,454.454,1.68,5,0.402,0.7,1.0,0.3847919950654513,0.1292577616338839,0.0564731683914742,0.01673120416695223,0.1468135323144404
EOS-3-08233,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2)n1,CQKASAPQYWDYRT-UHFFFAOYSA-N,3,1,0.454,36,926,469.469,1.243,6,0.369,0.81,1.0,0.3779641559865671,0.10308580631896375,0.008789664861901173,0.00782160235761771,0.12441530738126243
EOS-3-08234,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncnn5C)n4)n23)cc1,ALOCGFQXCPKUJS-UHFFFAOYSA-N,3,1,0.307,98,865,434.467,3.049,6,0.42,0.72,1.0,0.08487252415872798,0.02546090055513673,0.17128709478445617,0.16267733534370502,0.11107446371050647
EOS-3-08235,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,SEXZMRMBUVVFFL-UHFFFAOYSA-N,3,1,0.333,98,42,434.467,3.049,6,0.42,0.72,1.0,0.09463881844972928,0.0337451168528545,0.19081111644164211,0.16780892330888905,0.12175099376327875
EOS-3-08236,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)c1,PRCYQCVFYBEYBC-UHFFFAOYSA-N,3,1,0.306,98,882,434.467,3.049,6,0.42,0.72,1.0,0.08066616407374409,0.07366698649852649,0.25454047015283393,0.22417928860256323,0.15826322733191694
EOS-3-08237,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccccc4)n23)cc1,NBLTYRKNZGWZIZ-UHFFFAOYSA-N,3,1,0.506,1,347,423.436,2.926,5,0.446,0.75,0.999,0.5798780069906107,0.18818963744774175,0.28024981152765405,0.2158779384552121,0.31604884860530463
EOS-3-08238,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)c1,DLIPXWYVOMUWKP-UHFFFAOYSA-N,3,1,0.25,10,144,432.451,3.199,6,0.417,0.75,0.949,0.011967993968884929,0.008549790967034473,0.06838976081145912,0.12000548283188267,0.0522282571448153
EOS-3-08240,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnccc5F)cc4)n23)cn1,FNQUPELGRCLJDZ-UHFFFAOYSA-N,3,1,0.386,14,740,440.442,2.733,5,0.447,0.65,1.0,0.28748886299773835,0.23163251319306422,0.3422058118017956,0.2923891439928723,0.2884290829963676
EOS-3-08241,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4Cl)n23)nc1,BNQZUSANAUMHOI-UHFFFAOYSA-N,3,1,0.456,36,258,433.863,2.918,5,0.416,0.74,1.0,0.4741278870536632,0.5829192653005277,0.24376327873346584,0.2745699403742033,0.393845092865465
EOS-3-08242,Cn1cc(-c2ccc(-c3nnc4cncc(COc5ccc(F)cc5F)n34)c(F)c2)cn1,JMORRAKYPLJGQM-UHFFFAOYSA-N,3,1,0.392,34,189,436.397,4.188,5,0.413,0.79,1.0,0.5038722500171339,0.5972945651428964,0.9383181413199918,0.9234630936878898,0.740737012541978
EOS-3-08243,Cc1nn(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(F)c2)c1C,YLOCTLOQCNPHHF-UHFFFAOYSA-N,3,1,0.435,62,124,441.47,3.714,5,0.458,0.7,1.0,0.18372626961825783,0.1970649715578096,0.4423959975327256,0.34581248714961277,0.29224993146460143
EOS-3-08244,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ccccc5)s4)n23)cc1,VYAPKAGRKVKONL-UHFFFAOYSA-N,3,1,0.429,62,886,439.544,4.665,5,0.418,0.85,1.0,0.20063737920636007,0.11554211500239873,0.38774758412720167,0.33638030292646154,0.2600768453156055
EOS-3-08245,Cc1ncc(-c2cc(-c3nnc4cncc(CCc5cccc(F)c5F)n34)ccn2)cn1,JBKFNKXKVYMFHR-UHFFFAOYSA-N,3,1,0.386,14,580,429.434,4.015,5,0.42,0.82,1.0,0.41770612021108905,0.4585617846617778,0.7164433554931122,0.6943149886916592,0.5717565622644095
EOS-3-08246,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)c1,LVVVZOXORLGMEH-UHFFFAOYSA-N,3,1,0.33,25,219,466.896,3.759,6,0.386,0.84,0.999,0.24437153039544926,0.3763021725721335,0.29115550681927216,0.4444948941128093,0.3390810259749161
EOS-3-08248,Cc1ncc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)c2)nn1,RYJHBPKOOLRICS-UHFFFAOYSA-N,3,1,0.598,13,15,433.834,4.537,5,0.411,0.83,1.0,0.8271537248989103,0.8048283188266739,0.7611712699609349,0.787446028373655,0.7951498355150436
EOS-3-08249,COc1cc(-c2cncn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,KKAKYWVJKQMHQO-UHFFFAOYSA-N,3,1,0.327,52,341,465.517,3.76,6,0.41,0.82,0.999,0.252630045918717,0.06988040572955932,0.3240353642656432,0.2715629497635529,0.22952719141936812
EOS-3-08250,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nc2)n1,QMUBQYDXQLIVMX-UHFFFAOYSA-N,3,1,0.539,84,159,428.431,3.107,5,0.406,0.78,1.0,0.7430779247481324,0.7175399218696457,0.32046295661709273,0.32335857720512645,0.5261098451099994
EOS-3-08251,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(C#N)cn3)n12,JGYDODNVYWJGBM-UHFFFAOYSA-N,3,1,0.337,63,437,411.425,2.626,5,0.536,0.9,1.0,0.21983585772051265,0.09966760331711329,0.26169385237475157,0.2537437461448838,0.20873526488931535
EOS-3-08252,Cc1noc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)n1,CRKDVPZQXKKFTJ-UHFFFAOYSA-N,3,1,0.62,16,335,419.832,3.777,5,0.424,0.89,1.0,0.8620039750531149,0.8487595092865465,0.3877561510520184,0.42239222808580634,0.6302279658693715
EOS-3-08253,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)cn4)n23)c(F)c1,VETMLEKAIZPRNQ-UHFFFAOYSA-N,3,1,0.442,7,408,457.429,2.116,5,0.407,0.72,1.0,0.5661794942087588,0.44548865739154275,0.20485230621616066,0.13079124117606744,0.3368279247481324
EOS-3-08254,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,SRZPBSKTTGJZLC-UHFFFAOYSA-N,3,1,0.315,98,882,449.482,2.927,6,0.394,0.75,1.0,0.11202967582756494,0.039956137344938664,0.06034541840860805,0.059985607566308,0.06807920978685492
EOS-3-08255,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncc(-c5cnccn5)cn4)n23)cc1,LTRAHIRRJIWRPE-UHFFFAOYSA-N,3,1,0.346,94,459,448.425,3.301,6,0.4,0.73,1.0,0.29567027619765607,0.3521948461380303,0.35395963265026387,0.422400795010623,0.3560563874991433
EOS-3-08256,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)n1,CKIBOWHDZUFPIQ-UHFFFAOYSA-N,3,1,0.366,42,983,437.398,3.499,6,0.408,0.75,1.0,0.27620622301418685,0.31336097594407514,0.4458913028579261,0.44450346103762595,0.3699904907134535
EOS-3-08257,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncccc4-c4ccc(F)nc4)n23)cc1,IXIJBRMFLDIBLN-UHFFFAOYSA-N,3,1,0.489,89,744,455.453,3.326,5,0.391,0.76,1.0,0.6172812007401823,0.4232489205674731,0.5530635323144404,0.4128915084641217,0.5016212905215544
EOS-3-08258,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6nc[nH]n6)nc5)n34)nc2)nn1,LCGLTYFXYCLKPN-UHFFFAOYSA-N,3,1,0.267,86,812,434.427,2.194,6,0.437,0.67,1.0,0.07625419779316017,0.10630697005003084,0.06035398533342472,0.0570043177301076,0.07497986772668083
EOS-3-08259,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)c1,QEUWUELWZYFBLS-UHFFFAOYSA-N,3,1,0.247,64,144,431.463,3.804,6,0.418,0.77,0.85,0.010451648276334727,0.003769446919333836,0.15862517990542116,0.22142073881159618,0.09856675347817148
EOS-3-08260,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ocnc3-c3cccc(F)c3F)n12,HJLXWJYDOPXTGP-UHFFFAOYSA-N,3,1,0.384,96,648,432.39,3.799,5,0.462,0.72,0.993,0.2846789116578713,0.357232197930231,0.7011770954698101,0.6592591323418545,0.5005868343499417
EOS-3-08261,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)cc1,LOTKNKACKCORIP-UHFFFAOYSA-N,3,1,0.312,39,972,452.869,3.544,6,0.399,0.75,1.0,0.009800561990267973,0.12926632855870057,0.30204406826125696,0.4287574532245905,0.217467103008704
EOS-3-08262,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)nc2)c1C,IRRIHCDZYPTBLP-UHFFFAOYSA-N,3,1,0.457,89,943,452.478,2.938,5,0.416,0.75,1.0,0.42945994105955726,0.1837862380919745,0.2048608731409773,0.11300630525666507,0.23277833938729356
EOS-3-08263,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C(F)F)c5)cnn4)n23)nc1,OCAJUFOVCINISC-UHFFFAOYSA-N,3,1,0.271,50,432,448.397,2.262,5,0.434,0.64,0.728,0.14771948461380302,0.13259029538756767,0.39500376944691934,0.27157151668836954,0.2367212665341649
EOS-3-08264,c1cncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cccnc6)cn5)n34)cc2)c1,IQMLBMVYPKDOGC-UHFFFAOYSA-N,3,1,0.338,41,106,428.459,4.372,6,0.411,0.85,1.0,0.1286666438215338,0.1436244945514358,0.5564217668425742,0.5917945994105955,0.3551268761565348
EOS-3-08265,Cn1nnc(-c2csc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,YXQAMWDWZVDBOS-UHFFFAOYSA-N,3,1,0.506,36,926,433.457,1.721,5,0.427,0.73,1.0,0.4384637790418751,0.25679357137961756,0.05648173531629087,0.030027071482420672,0.19544153930505107
EOS-3-08266,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)nc(C)n2)cn1,AEHBKSCIWJKART-UHFFFAOYSA-N,3,1,0.455,44,500,445.433,4.117,5,0.402,0.77,1.0,0.6427506682201357,0.5631553697484751,0.6850798437392913,0.630414296484134,0.630350044548009
EOS-3-08267,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(Cl)nn5)c4)n23)c(Cl)c1,XGCWSQCKBNDUSW-UHFFFAOYSA-N,3,1,0.381,50,859,464.276,3.111,5,0.428,0.71,1.0,0.2198444246453293,0.24186142142416558,0.46725721335069564,0.5268915769995203,0.3639636591049277
EOS-3-08268,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)c2)cn1,BVWIZHITLUXTNW-UHFFFAOYSA-N,3,1,0.291,86,967,432.451,3.106,6,0.418,0.73,1.0,0.05567644438352409,0.04347714344458913,0.3092317181824412,0.2776540333082037,0.17150983482968954
EOS-3-08269,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnncn5)c4)n23)cc1,QAYKPPAFSLTJFA-UHFFFAOYSA-N,3,1,0.315,9,642,432.451,3.106,6,0.418,0.73,1.0,0.1393924336920019,0.047220889589472965,0.3351380988280447,0.3458210540744294,0.21689311904598724
EOS-3-08270,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)cn1,RFNFWZCKCLJRMU-UHFFFAOYSA-N,3,1,0.277,86,957,432.451,3.106,6,0.418,0.73,1.0,0.03726612295250497,0.018872935371119184,0.3092402851072579,0.29542183537797273,0.1652002947022137
EOS-3-08271,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)cc1,JGLAEIABBZXVIV-UHFFFAOYSA-N,3,1,0.321,42,369,433.479,3.654,6,0.421,0.75,1.0,0.12302104036734973,0.05081899801247344,0.3765677472414502,0.3330563360975944,0.22086603042971692
EOS-3-08273,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)n1,PCJSELOVZFVSGM-UHFFFAOYSA-N,3,1,0.31,39,176,450.441,3.245,6,0.402,0.75,0.707,0.1286752107463505,0.18819820437255844,0.17473099856075663,0.2659858817079021,0.18939757384689193
EOS-3-08274,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)cn2)n1,XMLNLOOEQOVHLJ-UHFFFAOYSA-N,3,1,0.342,98,693,450.441,3.245,6,0.402,0.75,1.0,0.14218525118223563,0.282674251250771,0.3129154958536084,0.38776471797683504,0.28138492906586254
EOS-3-08275,COCc1nc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)nn1C,ATPBOMGZRGXPAK-UHFFFAOYSA-N,3,1,0.4,61,124,458.457,2.638,5,0.414,0.73,0.995,0.29841169213898977,0.3082293879788911,0.2222431635939963,0.1844201905284079,0.25332610856007126
EOS-3-08276,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)cn5)nc4)n23)cc1,GKGYVMZHJKGVBY-UHFFFAOYSA-N,3,1,0.58,89,805,429.871,4.184,5,0.413,0.78,1.0,0.8937272976492359,0.8004763210198067,0.6106846686313481,0.5794667945994106,0.7210887704749503
EOS-3-08277,Cc1ccnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)cn2)n1,NIGHOYSLFQQWHT-UHFFFAOYSA-N,3,1,0.427,7,408,453.466,2.333,5,0.409,0.73,1.0,0.3732437804125831,0.1473511068466863,0.10588719073401412,0.044796449866355975,0.16781963196490987
EOS-3-08278,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cn1,SIHHPHLNLRFFSN-UHFFFAOYSA-N,3,1,0.5,36,446,437.826,2.748,5,0.413,0.74,1.0,0.5088839010348846,0.7753066959084367,0.38020869028853405,0.45075731615379344,0.5287891508464122
EOS-3-08279,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ccccc5Cl)n4)n23)cc1,ZBGKBSUUPBILHJ-UHFFFAOYSA-N,3,1,0.362,62,302,456.897,3.789,6,0.416,0.82,1.0,0.1722894249880063,0.35724076485504763,0.18089061750394078,0.34905935165512986,0.26487003975053114
EOS-3-08280,Cc1cccc(-c2nncnc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4C)n23)n1,JQCMAFOUWLFLNF-UHFFFAOYSA-N,3,1,0.302,74,768,423.44,2.421,5,0.465,0.68,0.142,0.10947673223219793,0.025469467479953396,0.10863717360016449,0.07554314303337674,0.07978162908642314
EOS-3-08281,Cc1nnc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(N)=O)c(C)c5)n34)cc2F)o1,VEXOWQCRWVXUME-UHFFFAOYSA-N,3,1,0.39,85,357,444.43,2.682,5,0.437,0.66,1.0,0.2632701665410184,0.18379480501679119,0.19441779178945925,0.1420053457610856,0.1958720272770886
EOS-3-08282,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(OCc3cc(-c4ccnnc4)ncc3F)n12,ALPURTYPUVYPFO-UHFFFAOYSA-N,3,1,0.454,89,731,456.441,2.769,5,0.412,0.7,1.0,0.5661880611335754,0.3279590158316771,0.5225053114933863,0.38438078267425124,0.4502582927832225
EOS-3-08285,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)cc2)n1,ZXIAZIOYTSUEKR-UHFFFAOYSA-N,3,1,0.289,98,882,435.455,2.444,6,0.414,0.71,1.0,0.1316050990336509,0.08411006785004455,0.0932509766294291,0.08440991021862793,0.09834401343293812
EOS-3-08286,Cc1ncc(-c2cc(-c3nnc4cncc(COc5ccc(Cl)cc5)n34)ncn2)cn1,UNCCMZIPHUVPSN-UHFFFAOYSA-N,3,1,0.354,44,767,430.859,3.579,5,0.416,0.77,0.995,0.4065262833253375,0.42766088684805703,0.44240456445754234,0.4478188609416764,0.4311026488931533
EOS-3-08287,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nn2)nc1,LMHHXCFDACPBRE-UHFFFAOYSA-N,3,1,0.416,54,411,434.822,3.41,5,0.387,0.75,1.0,0.8088719073401411,0.6985813172503598,0.5496110616133233,0.6099050784730313,0.6667423411692139
EOS-3-08288,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1,FFYOURKEUOJPNV-UHFFFAOYSA-N,3,1,0.297,76,968,433.439,2.501,6,0.412,0.7,1.0,0.07837879514769379,0.030549653896237407,0.09325954355424577,0.10399390034953053,0.07654547323692688
EOS-3-08289,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(CF)c5)ncn4)n23)cc1,TYFUAIVZJYCVBK-UHFFFAOYSA-N,3,1,0.306,52,582,466.48,3.672,6,0.406,0.8,0.994,0.15623500788157083,0.07367555342334316,0.2984630936878898,0.32666541018436024,0.213759766294291
EOS-3-08290,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)cn2)n1,CHAWYKDAZIOHBH-UHFFFAOYSA-N,3,1,0.517,89,731,425.452,3.023,5,0.442,0.77,1.0,0.5575954355424577,0.4142536495099719,0.4275238160509903,0.32036872044410936,0.42993540538688235
EOS-3-08291,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(F)cc5)n4)n23)cc1,MRLBDEDYKLTINO-UHFFFAOYSA-N,3,1,0.405,3,186,449.453,3.85,6,0.403,0.78,1.0,0.2059831402919608,0.3572493317798643,0.5394506887807553,0.5666592419984923,0.4173356007127682
EOS-3-08292,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cncnn5)c4)n23)cc1,IFMDVLHZKXQGPN-UHFFFAOYSA-N,3,1,0.478,89,707,440.427,1.372,5,0.411,0.68,1.0,0.5473665273113563,0.17089301624288944,0.14038619697073537,0.07555170995819341,0.23354936262079362
EOS-3-08293,Cc1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cn2)cnn1C,WDJRGUGXTLJOMO-UHFFFAOYSA-N,3,1,0.301,94,165,446.478,3.414,6,0.405,0.75,1.0,0.0507504626139401,0.054614145706257285,0.2947364813926393,0.2419899252964156,0.16052275375231306
EOS-3-08294,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c(F)c1,BSHIWOXPANRFBZ-UHFFFAOYSA-N,3,1,0.329,9,642,450.441,3.245,6,0.402,0.73,1.0,0.2685045576040025,0.35220341306284697,0.4672657802755123,0.49380611335754915,0.3954449660749777
EOS-3-08295,N#Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccnc(C(F)F)c5)n34)nc2)cn1,IWYZHWGOWLJYTN-UHFFFAOYSA-N,3,1,0.394,27,412,443.377,3.64,5,0.4,0.76,1.0,0.7066941950517442,0.6739514084024398,0.7750325543143033,0.6564406140771709,0.7030296929614145
EOS-3-08296,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cc(F)ccc5F)ns4)n23)cc1,VVIQBJJOAOEIEM-UHFFFAOYSA-N,3,1,0.427,14,358,448.458,3.883,5,0.44,0.74,0.995,0.24736995408128298,0.3133695428688918,0.6579141251456377,0.6650932081420053,0.47093670755945444
EOS-3-08297,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)ccc1Cl,FPTCBPAJQHQBJB-UHFFFAOYSA-N,3,1,0.595,59,294,433.834,4.015,5,0.413,0.79,1.0,0.9113837296963881,0.8578832842162977,0.742469673086149,0.7557655404016175,0.816875556850113
EOS-3-08298,OCc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1Cl,RXJNMJQTBITGEP-UHFFFAOYSA-N,3,1,0.789,23,86,416.815,3.837,4,0.517,0.81,1.0,0.984656637653348,0.9891714070317319,0.9715149749845795,0.9716863134809129,0.979257333287643
EOS-3-08299,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nc2)cn1,SAZLDBMBGCRWOM-UHFFFAOYSA-N,3,1,0.323,70,687,431.463,3.711,6,0.419,0.76,1.0,0.03880816941950518,0.025478034404770065,0.40219141936810365,0.37831539990405044,0.21119825577410734
EOS-3-08300,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc5cc(F)ccc5n4)n23)c(Cl)c1,VMOMOIMEQHHRCF-UHFFFAOYSA-N,3,1,0.443,34,92,462.872,4.071,5,0.423,0.78,1.0,0.7548917140703173,0.6837005688438078,0.7372181481735316,0.7190048660132958,0.723703824275238
EOS-3-08301,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)nc1,MIEKTJFXYKDNMS-UHFFFAOYSA-N,3,1,0.305,98,654,467.884,3.154,6,0.384,0.78,1.0,0.13408950723048454,0.2568021383044342,0.1494585703515866,0.28353951065725447,0.20597243163593995
EOS-3-08302,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cc4)n23)cn1,XWNWGFKYEQBJHJ-UHFFFAOYSA-N,3,1,0.337,61,336,426.444,1.746,5,0.426,0.72,1.0,0.0827650606538277,0.05864060037009115,0.027122883969570282,0.009732026591734631,0.04456514289630594
EOS-3-08303,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1,QDOOVUBVDJQFFQ-UHFFFAOYSA-N,3,1,0.438,89,408,465.477,2.51,6,0.385,0.78,1.0,0.3871307655404016,0.16302001233637173,0.10864574052498115,0.10606709615516415,0.19121590363922966
EOS-3-08304,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cc(-c6cnco6)ccc5F)n34)cc2)n1,YCFSGVPDQPUARF-UHFFFAOYSA-N,3,1,0.318,25,38,439.414,3.443,6,0.411,0.76,1.0,0.3314371873072442,0.342479953395929,0.4389006922075252,0.4633763964087451,0.3940485573298609
EOS-3-08305,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)n(C)n1,ROILWMCZBUETQL-UHFFFAOYSA-N,3,1,0.342,3,668,433.479,3.748,6,0.421,0.75,1.0,0.010460215201151394,0.02776540333082037,0.22225173051881297,0.23320026043451442,0.12341940237132479
EOS-3-08306,Cc1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1C,WPPOSAFVEXIQEM-UHFFFAOYSA-N,3,1,0.449,36,915,450.865,3.662,5,0.403,0.75,1.0,0.5916575286135289,0.6887293537111918,0.41260023302035503,0.4727743129326297,0.5414403570694264
EOS-3-08307,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)nc2)n(C)n1,ABWOOXDZLJXHJZ-UHFFFAOYSA-N,3,1,0.364,85,516,425.456,1.98,5,0.456,0.69,1.0,0.0644832430950586,0.05462271263107395,0.0840415324515112,0.04224350627098897,0.06134774861215818
EOS-3-08308,O=C(O)c1ccc(-c2nnc3cncc(-c4cn(C5CCOC5)nc4C(F)F)n23)nc1,TWGUECAWFLADHF-UHFFFAOYSA-N,3,1,0.264,68,792,427.371,2.647,5,0.516,0.68,0.691,0.050759029538756766,0.014409567541635254,0.13400383798231788,0.13510897128366803,0.08357035158659448
EOS-3-08309,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ncccn5)n4)n23)cc1,VPJGJIPYKGCZGZ-UHFFFAOYSA-N,3,1,0.547,89,770,470.468,2.764,5,0.386,0.77,1.0,0.6576742512507711,0.32329860873140975,0.21861078747172916,0.14444691933383594,0.3360076416969365
EOS-3-08310,O=C(NC1CCC1F)c1ccc(-c2nnc3cncc(Cc4cnc(C5CC5)cn4)n23)cc1,QNXKRCRJFAKCIQ-UHFFFAOYSA-N,3,1,0.392,63,334,443.486,3.28,6,0.491,0.63,0.993,0.21417312041669523,0.19707353848262626,0.13108251661983414,0.2361387156466315,0.19461697279144677
EOS-3-08311,Cn1cc2nc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)ccc2n1,NQEOCKMFWATSLS-UHFFFAOYSA-N,3,1,0.308,10,356,424.403,2.731,6,0.426,0.75,0.999,0.07838736207251046,0.17090158316770612,0.18089918442875746,0.2985316290864231,0.18217993968884927
EOS-3-08312,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1,POPRDSREWKAKMG-UHFFFAOYSA-N,3,1,0.32,25,508,437.492,3.772,6,0.414,0.75,1.0,0.07626276471797684,0.11271502981289837,0.2579758070043177,0.30812658488109107,0.18877004660407098
EOS-3-08313,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)cc1,CTJAOERIVKTYPY-UHFFFAOYSA-N,3,1,0.329,42,342,430.435,3.162,6,0.415,0.74,0.994,0.12019395517784937,0.03670070591460489,0.17129566170927285,0.23911143855801523,0.14182544033993558
EOS-3-08314,N#Cc1ccc(COc2cncc3nnc(-c4cccc(-c5ncc(CO)cn5)c4)n23)cn1,HWEWLPAWPRIXEI-UHFFFAOYSA-N,3,1,0.593,89,921,436.435,2.586,5,0.426,0.75,1.0,0.6455777534096361,0.5035210060996504,0.562718456582825,0.4445120279624426,0.5390823110136386
EOS-3-08315,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnc(C)cc5F)cn4)n23)cc1,QYMGTLWSQKCNON-UHFFFAOYSA-N,3,1,0.41,14,357,454.469,3.041,5,0.435,0.66,1.0,0.2605458844493181,0.2213864711123295,0.33142862038242754,0.23614728257144815,0.26237706462888083
EOS-3-08316,Cn1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1=O,AMNNCAMLHIYGHH-UHFFFAOYSA-N,3,1,0.617,43,326,444.882,3.784,5,0.41,0.76,1.0,0.8218936330614762,0.7407477211979988,0.6904941402234254,0.7216349119320129,0.7436926016037283
EOS-3-08317,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nc1,CEBSKHHLGQKIND-UHFFFAOYSA-N,3,1,0.561,4,436,433.834,4.015,5,0.413,0.75,1.0,0.8596909053526146,0.9510742923720101,0.5949900623672126,0.6564491810019876,0.7655511102734561
EOS-3-08318,Cn1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)n1,OPLSJHPNXQDMNI-UHFFFAOYSA-N,3,1,0.505,89,926,427.428,1.66,5,0.432,0.7,0.946,0.3937444314988692,0.19708210540744295,0.08884757727366184,0.04225207319580564,0.1804815468439449
EOS-3-08319,Cn1cnnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,LWPOTTIVKIUHIE-UHFFFAOYSA-N,3,1,0.529,89,895,427.428,1.66,5,0.432,0.7,1.0,0.4936690425604825,0.10961380302926461,0.16493900349530533,0.09366218902062916,0.2154710095264204
EOS-3-08320,Fc1cnc(-c2ccnc(CCc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)nc1,PNAMZDWMGNKXMB-UHFFFAOYSA-N,3,1,0.411,73,82,433.397,3.846,5,0.419,0.75,1.0,0.5550510588719073,0.7175484887944623,0.7295421835377973,0.7711688712219862,0.6933276506065382
EOS-3-08321,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ncc(Br)c(C)n4)n23)cc1,VGEBEGVOEJSESX-UHFFFAOYSA-N,3,1,0.56,63,536,482.342,3.023,4,0.432,0.84,1.0,0.4962562538551162,0.2932972380234391,0.06428620382427523,0.030035638407237338,0.22096883352751695
EOS-3-08322,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)nc5)n34)cc2)n[nH]1,JKXIUVFXMSPVMS-UHFFFAOYSA-N,3,1,0.282,98,725,434.467,3.347,6,0.452,0.77,1.0,0.05398876019464053,0.08411863477486121,0.28766876841888833,0.2332088273593311,0.1647462476869303
EOS-3-08323,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)cn1,DARAXMJEHUPCOL-UHFFFAOYSA-N,3,1,0.575,75,393,420.436,3.136,5,0.411,0.82,1.0,0.7782622849701871,0.7034216297717771,0.573033034062093,0.4969758755397163,0.6379232060859434
EOS-3-08324,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccn6)nn5)n34)nn2)c1,XMIHTFFUNFXZSN-UHFFFAOYSA-N,3,1,0.303,10,541,443.434,2.763,6,0.403,0.73,0.959,0.0033411006785004456,0.017339455828935646,0.2545490370776506,0.32986087314097734,0.151272616681516
EOS-3-08325,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)ccc2F)cn1,JLCHCSDFWGNXQL-UHFFFAOYSA-N,3,1,0.484,4,205,456.441,2.769,5,0.412,0.73,1.0,0.5858320197381948,0.37631073949695015,0.395012336371736,0.292397710917689,0.4123882016311425
EOS-3-08326,COc1cc(-c2ncsc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccn1,SMCWLUMQEVGGCZ-UHFFFAOYSA-N,3,1,0.337,52,517,469.53,3.878,6,0.402,0.87,1.0,0.14219381810705228,0.09348228359947913,0.12288396957028305,0.12001404975669934,0.11964353025837844
EOS-3-08327,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cn5)n34)nc2)n1C,ZDXCYSKNGAKITK-UHFFFAOYSA-N,3,1,0.255,99,652,436.443,2.137,6,0.44,0.7,0.967,0.1020320745665136,0.10631553697484751,0.08144575423206087,0.06613665958467549,0.08898250633952437
EOS-3-08328,Fc1ccc(-c2ncccn2)cc1-c1nnc2cncc(-c3cn(-c4ccccc4)nn3)n12,JDHUKVGJHWPZLA-UHFFFAOYSA-N,3,1,0.33,10,115,435.426,3.635,6,0.417,0.75,1.0,0.030772393941470768,0.2063515180590775,0.43110479062435747,0.5001370707970667,0.2920914433554931
EOS-3-08329,CNC(=O)c1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccc4)n23)cc1,SBZVUSOVWZZMIB-UHFFFAOYSA-N,3,1,0.518,1,347,442.504,3.853,5,0.429,0.79,1.0,0.5526437529984237,0.29330580494825575,0.2911640737440888,0.2068826673977109,0.3359990747721198
EOS-3-08331,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnc5)cn4)n23)cn1,PIMTWUSYARTHAT-UHFFFAOYSA-N,3,1,0.293,86,874,434.427,1.896,6,0.404,0.71,1.0,0.08993557672537866,0.04722945651428963,0.06635939962990885,0.06794428072099239,0.06786717839764238
EOS-3-08332,Cc1ccc(-c2nnc3cncc(-c4cccnc4-c4cccc(-c5nn[nH]n5)n4)n23)cc1,UOIZPZBRMNTHKI-UHFFFAOYSA-N,3,1,0.333,38,750,432.451,3.404,6,0.449,0.69,1.0,0.13688232472071826,0.15916489616887122,0.2186193543965458,0.2507196216846001,0.19134654924268385
EOS-3-08333,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)cc2)nc1,OHGQBHNTFNOOIA-UHFFFAOYSA-N,3,1,0.311,52,204,463.501,3.816,6,0.408,0.78,1.0,0.33860770337879514,0.14010348845178536,0.22571276814474675,0.23032177369611403,0.23368643341786033
EOS-3-08334,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cc(-c5cnccn5)ncn4)n23)cc1,HPQOUOSHFXVWEJ-UHFFFAOYSA-N,3,1,0.346,94,566,448.425,3.301,6,0.4,0.74,0.993,0.2791189774518539,0.37141902542663285,0.4091734630936879,0.4633849633335618,0.38077410732643413
EOS-3-08335,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)n1,APGQMXZIPYJDIH-UHFFFAOYSA-N,3,1,0.284,76,387,433.439,2.501,6,0.412,0.71,1.0,0.07839592899732711,0.01888150229593585,0.05278082379549037,0.0629668974025084,0.05325628812281544
EOS-3-08336,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)nc2)cn1,FHOJOOMVOMRPCL-UHFFFAOYSA-N,3,1,0.267,86,874,433.439,2.501,6,0.412,0.71,1.0,0.0539973271194572,0.03375368377767117,0.2083733123158111,0.1844287574532246,0.12013827016654102
EOS-3-08337,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)cc1,VPLHFUAGJFENAP-UHFFFAOYSA-N,3,1,0.262,25,213,433.439,2.501,6,0.412,0.71,1.0,0.055685011308340755,0.0472380234391063,0.1747395654855733,0.2098382564594613,0.12187521417312042
EOS-3-08338,Fc1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-n6nccn6)cc5)n34)cn2)ccn1,FQBXFTMENGVKHD-UHFFFAOYSA-N,3,1,0.329,42,106,436.414,3.03,6,0.388,0.76,1.0,0.05400589404427387,0.12225001713384963,0.3802172572133507,0.3911400863546022,0.2369033136865191
EOS-3-08339,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nn4)n23)cc1Cl,RMEGTURJYXSFGU-UHFFFAOYSA-N,3,1,0.386,85,357,457.885,2.642,5,0.427,0.66,1.0,0.21418168734151188,0.2568107052292509,0.28767733534370504,0.27457850729901995,0.25831205880337194
EOS-3-08340,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)cn1,DCEZHXWTZOLRGX-UHFFFAOYSA-N,3,1,0.301,98,866,424.432,1.568,6,0.418,0.74,1.0,0.00727331916935097,0.020971831951202797,0.07924405455417723,0.07556027688301008,0.045762370639435265
EOS-3-08341,Fc1cc(-c2nnc3cncc(OCc4noc(-c5cnccn5)n4)n23)ccc1Cl,PBOGVHLUSUOEFN-UHFFFAOYSA-N,3,1,0.538,73,756,424.783,3.003,5,0.419,0.81,1.0,0.6794942087588239,0.779555890617504,0.33514666575286134,0.4352254814611747,0.5573555616475909
EOS-3-08342,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)nc2)nc1,AYFJZDULIWWUKN-UHFFFAOYSA-N,3,1,0.286,32,339,447.437,3.906,6,0.4,0.75,1.0,0.27125454047015285,0.2826828181755877,0.6106932355561647,0.6366338839010349,0.450316119525735
EOS-3-08343,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)cn5)n34)c2)nn1,YURASIAMUHQVDB-UHFFFAOYSA-N,3,1,0.375,14,351,430.859,3.579,5,0.416,0.73,1.0,0.43153313686519085,0.5123192378863684,0.37657631416626686,0.3813909259132342,0.42545490370776506
EOS-3-08344,O=C(NC1CC(F)(F)C1)c1ccc(COc2cncc3nnc(-c4ccnc(F)c4)n23)cn1,KLMALMMLGNQGET-UHFFFAOYSA-N,3,1,0.516,63,12,455.4,2.827,5,0.446,0.73,0.964,0.45495510931396066,0.34741450209032965,0.677121170584607,0.6218216708930162,0.5253281132204783
EOS-3-08345,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)cn2)nn1,WCYNGRZOJMDUOS-UHFFFAOYSA-N,3,1,0.473,89,134,445.418,1.799,5,0.417,0.72,1.0,0.3979593585086697,0.2879257761633884,0.2765574669316702,0.19272154067575903,0.2887910355698718
EOS-3-08346,CNC(=O)c1ccc(-c2nnc3cncc(-c4csc(-c5cc(F)ncc5F)n4)n23)cc1,TZKIDXHPJUYGLL-UHFFFAOYSA-N,3,1,0.365,62,139,449.446,3.615,5,0.421,0.75,1.0,0.17497943938044,0.28269138510040437,0.522513878418203,0.4571568089918443,0.3593353779727229
EOS-3-08347,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnccc5F)cc4)n23)cc1,WXQJFQKARPBCFV-UHFFFAOYSA-N,3,1,0.432,62,319,439.454,3.338,5,0.451,0.64,1.0,0.3594510314577479,0.2621136316907683,0.5763141662668768,0.4876807621136317,0.42138989788225617
EOS-3-08348,Cc1ncc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)n1,IUNRBGHEAHQKFY-UHFFFAOYSA-N,3,1,0.318,25,791,464.468,3.553,6,0.389,0.79,1.0,0.18649338633404153,0.28793434308820504,0.2545576040024673,0.3394472620108286,0.2671081488588856
EOS-3-08349,Cn1cncc1-c1cncc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,FAKATYUKXUZEMR-UHFFFAOYSA-N,3,1,0.553,89,656,426.44,2.265,5,0.441,0.71,1.0,0.5346960455075046,0.12927489548351723,0.37264409567541634,0.22142930573641287,0.3145110856007128
EOS-3-08350,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)c(F)c4)n23)nn1,OCFKMWMQWCNCBI-UHFFFAOYSA-N,3,1,0.356,62,574,469.455,4.086,6,0.417,0.82,1.0,0.2577273661846344,0.3474230690151463,0.43890925913234186,0.6218302378178329,0.41647248303748885
EOS-3-08351,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ncccn5)n4)n23)c1,ZSKGNARIFZARGU-UHFFFAOYSA-N,3,1,0.326,94,136,437.402,2.425,6,0.409,0.69,0.998,0.009089507230484545,0.1292834624083339,0.10589575765883079,0.17897162634500718,0.10581008841066411
EOS-3-08352,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)nn5C)n34)cc2)n1C,SYWBRCKHOPCIKI-UHFFFAOYSA-N,3,1,0.366,9,553,447.506,3.963,6,0.406,0.79,1.0,0.08994414365019533,0.08733123158111164,0.14326468370913578,0.14697416215475292,0.11687855527379892
EOS-3-08353,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,XRJMDVUIPAWQGK-UHFFFAOYSA-N,3,1,0.457,11,503,447.861,4.057,5,0.387,0.79,1.0,0.6516945377287369,0.7220375573983963,0.5791669522308273,0.6797940511274073,0.658173274621342
EOS-3-08354,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C)nn5cnc(Cl)c45)n23)cc1,PZQFMESAPLMZOX-UHFFFAOYSA-N,3,1,0.473,89,926,448.874,2.734,5,0.44,0.68,1.0,0.48889726543759854,0.4454972243163594,0.23659276266191487,0.1898259200877253,0.34020329312589953
EOS-3-08355,Cn1nnc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)n1,OXYVTQLZHOZVHJ-UHFFFAOYSA-N,3,1,0.368,98,508,453.445,2.583,6,0.4,0.71,1.0,0.21419025426632857,0.32330717565622646,0.2119371530395449,0.23912000548283188,0.24713864711123293
EOS-3-08356,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)n5)n4)n23)cc1,SMRFXCDECWITKQ-UHFFFAOYSA-N,3,1,0.446,89,408,442.443,1.315,5,0.412,0.7,1.0,0.38931533136865193,0.14735967377150297,0.06839832773627579,0.02451853882530327,0.15739796792543348
EOS-3-08357,Fc1cc(F)cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)c1,SNXIMZOTESXDEE-UHFFFAOYSA-N,3,1,0.333,3,635,453.416,3.774,6,0.401,0.72,1.0,0.07041155506819272,0.2113803029264615,0.5730416009869097,0.6304228634089507,0.37131408059762866
EOS-3-08358,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC(C)C)cn5)n34)c(C)c2)nn1,RITQZHRWUHVGQL-UHFFFAOYSA-N,3,1,0.261,52,523,465.521,3.46,5,0.418,0.74,1.0,0.08716846000959495,0.030558220821054076,0.2083818792406278,0.09172606401206224,0.10445865602083476
EOS-3-08359,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nc1,WESQWRXKNKQWSH-UHFFFAOYSA-N,3,1,0.324,98,882,434.467,3.049,6,0.42,0.71,1.0,0.07840449592214378,0.054631279555890616,0.2651720238503187,0.23033034062093072,0.15713453498732094
EOS-3-08360,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)nnc1Cl,PLVYXQXFTQGISC-UHFFFAOYSA-N,3,1,0.408,18,367,448.849,3.452,5,0.389,0.75,1.0,0.6400263861284353,0.6547957645123706,0.435062709889658,0.5171681173326023,0.5617632444657665
EOS-3-08361,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4cnc(C(F)F)c(F)c4)n23)c1,AQUQYRSBUFRQQJ-UHFFFAOYSA-N,3,1,0.33,22,917,441.352,3.26,5,0.395,0.76,0.998,0.25507161949146734,0.4717120142553629,0.7449026797340826,0.7557741073264341,0.5568651052018367
EOS-3-08362,COc1cc(-c2ccnc(F)c2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,YSJQHALYIDSWOO-UHFFFAOYSA-N,3,1,0.352,96,204,441.426,3.162,5,0.416,0.7,0.994,0.555059625796724,0.4632478925364951,0.5594458913028579,0.4540213145089439,0.5079436810362552
EOS-3-08363,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)cc1,ATKUPCDETGABNX-UHFFFAOYSA-N,3,1,0.346,94,515,437.398,3.499,6,0.408,0.76,0.999,0.37325234733739976,0.40940477006373793,0.4021999862929203,0.46655472551572885,0.41285295730244664
EOS-3-08364,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)nc1,DXRRYPPACKUTCG-UHFFFAOYSA-N,3,1,0.319,42,57,428.459,4.372,6,0.411,0.83,1.0,0.12868377767116715,0.14736824069631965,0.5594544582276746,0.5404787197587554,0.3439962990884792
EOS-3-08365,CC(C)(O)c1ccc(-c2nnc3cncc(-c4nccnc4Oc4ccc(F)cc4)n23)cn1,ICSQGJKZKVSHSK-UHFFFAOYSA-N,3,1,0.404,82,155,443.442,3.802,5,0.437,0.8,0.998,0.597431635939963,0.6690682612569392,0.6494243026523199,0.4727828798574464,0.5971767699266671
EOS-3-08366,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(F)cn5)c4)n23)cc1,YGVYUBGBHOJDOY-UHFFFAOYSA-N,3,1,0.56,89,293,473.443,3.465,5,0.402,0.8,1.0,0.8809111781235008,0.4763381536563635,0.6715355356041396,0.5503221163731067,0.6447767459392777
EOS-3-08367,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)cc1,MLXQBJWTMVWLOB-UHFFFAOYSA-N,3,1,0.319,94,515,429.447,3.767,6,0.417,0.77,0.892,0.11203824275238161,0.10309437324378042,0.4164296484134055,0.44782742786649304,0.26984742306901516
EOS-3-08368,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)c(F)c1,XVFZKBBFORRUNL-UHFFFAOYSA-N,3,1,0.297,39,144,454.404,3.169,6,0.399,0.74,0.953,0.034541840860804605,0.17091015009252278,0.2437718456582825,0.4030652456994037,0.2130722705777534
EOS-3-08369,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)cc1,PEOYKRFBSZLPPN-UHFFFAOYSA-N,3,1,0.373,9,98,448.465,4.455,6,0.396,0.85,1.0,0.19234459598382564,0.332473785210061,0.6494328695771366,0.679802618052224,0.4635134672058119
EOS-3-08370,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)nc1,OTMLPKZVUXZHKH-UHFFFAOYSA-N,3,1,0.453,87,304,432.875,3.257,5,0.406,0.75,0.998,0.6311853197176341,0.5776591734630937,0.27244534301966966,0.2985401960112398,0.44495750805290935
EOS-3-08371,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C(F)(F)c4cc(F)nc(F)c4)n23)cc1,PHQBUFIVJQLSMO-UHFFFAOYSA-N,3,1,0.418,66,685,442.376,3.497,5,0.378,0.79,1.0,0.27912754437667053,0.36173840038379823,0.9312247275717909,0.90009252278802,0.6180457987800699
EOS-3-08372,c1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccncn6)cc5)n34)n2)nc1,WWWPEGYJAQBWEW-UHFFFAOYSA-N,3,1,0.303,38,136,430.435,3.162,6,0.415,0.72,1.0,0.1779864299910904,0.12929202933315057,0.19081968336645877,0.2158865053800288,0.17849616201768215
EOS-3-08373,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nn1,XUCWCFBOKDSERA-UHFFFAOYSA-N,3,1,0.483,58,132,430.859,3.313,5,0.404,0.73,0.999,0.6199626482077993,0.6934925639092592,0.24378041258309918,0.3016157220204235,0.4647128366801453
EOS-3-08374,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4cccc(F)c4)n23)cc1Cl,QRLAEWDGWKCGGP-UHFFFAOYSA-N,3,1,0.371,96,648,464.913,4.734,5,0.415,0.89,1.0,0.27373038174216985,0.3522119799876636,0.6494414365019533,0.7025649372901104,0.49448718388047425
EOS-3-08375,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)cn1,XRRZQEOYLUVUAS-UHFFFAOYSA-N,3,1,0.597,75,393,425.452,3.273,5,0.392,0.81,1.0,0.6255225824138168,0.40016105818655334,0.4389178260571585,0.29240627784250567,0.4392519361250085
EOS-3-08376,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(C5CCOC5)c4)n23)cc1,YLISJOWDBKESNO-UHFFFAOYSA-N,3,1,0.327,63,792,415.457,2.508,6,0.538,0.77,1.0,0.03881673634432184,0.0054913988074840655,0.02302789390720307,0.06614522650949216,0.03337031389212529
EOS-3-08377,Cn1cnnc1-c1ccnc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c1,JTPCGGRPPMFQTD-UHFFFAOYSA-N,3,1,0.321,98,882,435.455,2.444,6,0.414,0.69,1.0,0.061039339318758136,0.02548660132958673,0.11116441642108149,0.10822596120896442,0.0764790795695977
EOS-3-08378,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4)n23)cc1,VKKQPIUGAMZVSN-UHFFFAOYSA-N,3,1,0.338,42,762,433.479,3.654,6,0.421,0.74,1.0,0.15889075457473786,0.06988897265437599,0.3168305804948256,0.2715800836131862,0.20429759783428142
EOS-3-08379,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(COCCOC)o4)n23)cc1,DDZXGHBUMUOOLU-UHFFFAOYSA-N,3,1,0.452,63,536,453.459,1.666,4,0.334,0.84,1.0,0.2632787334658351,0.03056678774587074,0.02181995750805291,0.006408059762867521,0.08051838462065657
EOS-3-08380,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)cc1,WKOXQYOSZLHUBA-UHFFFAOYSA-N,3,1,0.29,39,952,437.402,2.425,6,0.409,0.7,0.925,0.012807552600918374,0.1222585840586663,0.1618035090124049,0.24481701048591598,0.1354216640394764
EOS-3-08381,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,BAMRZROXPINUTH-UHFFFAOYSA-N,3,1,0.353,21,366,431.499,5.018,6,0.424,0.93,1.0,0.23082722226029745,0.11884038105681584,0.532622849701871,0.6334384209444178,0.37893221849085057
EOS-3-08382,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)cn2)n1,QICPVCCXJKODNV-UHFFFAOYSA-N,3,1,0.305,39,972,451.429,2.64,6,0.398,0.74,1.0,0.15351072578987046,0.22675793297238023,0.12289253649509972,0.1978959632650264,0.1752642896305942
EOS-3-08383,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccn4)n23)c(F)c1,TZAAUASTYNJSTI-UHFFFAOYSA-N,3,1,0.29,98,219,452.417,2.035,6,0.39,0.71,0.814,0.16972791446782262,0.2316410801178809,0.07055719279007608,0.13511753820848468,0.15176093139606608
EOS-3-08384,Cc1ccc(-c2nncn2C)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,GQMNKAOKTODYFG-UHFFFAOYSA-N,3,1,0.44,36,250,432.875,3.523,5,0.419,0.74,1.0,0.5661966280583921,0.6114899595641149,0.4058751970392708,0.40965321088342127,0.49830374888629975
EOS-3-08385,c1cc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cc(-c2nn[nH]n2)c1,AVSFIGGPAVJVGT-UHFFFAOYSA-N,3,1,0.524,77,190,447.462,3.612,6,0.411,0.75,1.0,0.5974402028647796,0.47634672058118016,0.5361267219518882,0.5102460420807347,0.5300399218696457
EOS-3-08386,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5F)n4)n23)cc1,RONHJRWZQJXUKM-UHFFFAOYSA-N,3,1,0.298,39,144,454.404,3.169,6,0.399,0.76,0.824,0.040367349736138716,0.19245596600644232,0.23660132958673155,0.4191539305051059,0.22214464395860462
EOS-3-08387,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)cn4)n23)cc1,JKFMUVZIBUGERH-UHFFFAOYSA-N,3,1,0.324,42,983,431.463,3.711,6,0.419,0.75,1.0,0.15889932149955452,0.07709375642519362,0.37658488109108357,0.3587057089986978,0.24282091700363237
EOS-3-08388,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)nc1,UBFOTVLOACPBCF-UHFFFAOYSA-N,3,1,0.381,74,768,428.431,2.8,5,0.47,0.65,1.0,0.10204064149133027,0.1882067712973751,0.4126087999451717,0.31433760537317523,0.2542984545267631
EOS-3-08389,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncc(C#N)n6)cc5)n34)cn2)cn1,TXLCUQKRKTXGPH-UHFFFAOYSA-N,3,1,0.286,42,151,445.45,2.706,6,0.405,0.71,1.0,0.011976560893701596,0.05864916729490782,0.40918203001850456,0.3654564457542321,0.2113160509903365
EOS-3-08390,Fc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5cccnn5)c4)n23)c1,YBDXRMTWAOQWDY-UHFFFAOYSA-N,3,1,0.659,19,433,430.418,4.148,5,0.403,0.8,1.0,0.8709392776368995,0.869714207388116,0.8446730861489959,0.8512096497841135,0.8591340552395312
EOS-3-08391,Fc1ccc(OCc2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,SVBKZUFJIVWDMR-UHFFFAOYSA-N,3,1,0.327,7,817,430.403,2.668,5,0.384,0.77,1.0,0.3432766774038791,0.21618634774861215,0.40588376396408743,0.36546501267904874,0.33270295044890685
EOS-3-08392,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cc1,MFMZXRWEHVATGF-UHFFFAOYSA-N,3,1,0.314,25,213,450.441,3.245,6,0.376,0.77,1.0,0.21170584606949489,0.29826605441710646,0.372652662600233,0.41916249742992256,0.32544676512918924
EOS-3-08393,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ncccn4)n23)cc1,YGYTYWFAMWXQOT-UHFFFAOYSA-N,3,1,0.289,42,608,432.451,3.106,6,0.418,0.72,1.0,0.08717702693441162,0.039964704269755326,0.13725926941265162,0.15454732369268728,0.10473708107737648
EOS-3-08394,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)nc2)cn1,VWJYBJJSRUJBSX-UHFFFAOYSA-N,3,1,0.287,86,967,432.451,3.106,6,0.418,0.72,1.0,0.04614145706257282,0.03057535467068741,0.23321739428414776,0.21589507230484545,0.13145731958056334
EOS-3-08395,Cc1nnc(-c2cnc(Oc3cncc4nnc(-c5ccc(C(N)=O)c(C)c5)n34)c(F)c2)o1,OTFRTCFWRZANHC-UHFFFAOYSA-N,3,1,0.423,89,706,446.402,2.883,5,0.43,0.69,1.0,0.5526523199232404,0.31861250085669246,0.204869440065794,0.11768384620656569,0.29845452676307316
EOS-3-08396,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)cc2)n(C)n1,DMOSZNUPAJCLBV-UHFFFAOYSA-N,3,1,0.449,52,229,480.532,3.035,6,0.389,0.89,1.0,0.03591254883147146,0.002158865053800288,0.0075645946131176756,0.014966417654718662,0.01515060653827702
EOS-3-08397,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)nc2)cn1,YELPFHSFMXBYGO-UHFFFAOYSA-N,3,1,0.269,94,714,431.463,3.711,6,0.419,0.77,1.0,0.06449181001987526,0.020980398876019463,0.38022582413816736,0.40009252278802,0.21644763895552052
EOS-3-08398,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)n1,KRJQDAOKWDNWEF-UHFFFAOYSA-N,3,1,0.319,70,899,433.439,2.501,6,0.412,0.74,1.0,0.0742238366116099,0.06989753957919265,0.11117298334589816,0.1307998081008841,0.0965235419093962
EOS-3-08399,Cn1nc(C(F)(F)F)cc1-c1cncc2nnc(-c3ccc(C(=O)NCC4(C)CC4)nc3)n12,FIEINYTWZJAXPY-UHFFFAOYSA-N,3,1,0.368,63,66,456.432,3.136,5,0.495,0.73,1.0,0.15351929271468714,0.24698444246453294,0.21517545062024535,0.25072818860941676,0.21660184360222057
EOS-3-08400,CCN(C)C(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5nnnn5C)c4)n23)cn1,HNGMSOGXLSKFNG-UHFFFAOYSA-N,3,1,0.308,50,974,441.459,1.531,5,0.398,0.69,1.0,0.035921115756288126,0.039973271194571995,0.007179082996367624,0.0022616681516003014,0.021333784524707012
EOS-3-08401,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnn4-c4ccc(F)cc4)n23)cc1,UBFWIPGVWCGTMN-UHFFFAOYSA-N,3,1,0.37,61,331,414.404,2.538,5,0.485,0.81,1.0,0.049208416146939896,0.1669436639024056,0.3240439311904599,0.31124494551435816,0.2128602391885409
EOS-3-08402,Cn1ncc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)c1-c1ccc(F)cc1,BQBHQBPMTFZDKO-UHFFFAOYSA-N,3,1,0.341,3,158,438.43,2.974,6,0.417,0.73,1.0,0.017793502844219038,0.17091871701733946,0.16181207593722158,0.2745870742238366,0.15627784250565419
EOS-3-08403,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)n2)n1C,XZAASZIRVYSSPM-UHFFFAOYSA-N,3,1,0.435,33,760,442.443,1.363,5,0.411,0.7,0.872,0.23350866972791448,0.08412720169967788,0.015943047083818794,0.005859776574600782,0.08485967377150298
EOS-3-08404,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)cc1,BSXBCMVADCUHBF-UHFFFAOYSA-N,3,1,0.551,97,943,442.414,2.46,5,0.396,0.72,1.0,0.7694554862586526,0.34248852032074567,0.4164382153382222,0.3112535124391748,0.4599089335891988
EOS-3-08405,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)cn4)n23)cc1,CGUZEYBSACBTJR-UHFFFAOYSA-N,3,1,0.39,93,74,448.465,4.455,6,0.396,0.84,1.0,0.1669179631279556,0.29331437187307247,0.6435302583784525,0.6769583990130903,0.4451802480981427
EOS-3-08406,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)nc1,GOYIIMFLDDZYGB-UHFFFAOYSA-N,3,1,0.347,42,608,447.437,3.906,6,0.4,0.76,1.0,0.3338787608799945,0.38099684737166745,0.4494894112809266,0.4507658830786101,0.40378272565279966
EOS-3-08407,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccncn5)cn4)n23)cc1,WXUNMYFBIOBAAB-UHFFFAOYSA-N,3,1,0.309,64,449,447.437,3.906,6,0.4,0.76,1.0,0.3007590295387568,0.347431635939963,0.4635391679802618,0.5269001439243369,0.40965749434582965
EOS-3-08408,CC(C)(O)c1ncc(-c2nnc3cncc(-c4cnc(-c5ccccc5)nc4F)n23)cn1,KTBSMJSKTGIJQK-UHFFFAOYSA-N,3,1,0.384,82,478,428.431,3.072,5,0.434,0.74,1.0,0.4022256870673703,0.39496950174765266,0.2876859022685217,0.19510314577479268,0.31999605921458435
EOS-3-08409,Cc1ncccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cnn1,ILQMRZIDJJNNRV-UHFFFAOYSA-N,3,1,0.291,98,882,446.478,3.414,6,0.405,0.71,1.0,0.061047906243574805,0.027773970255637038,0.2617024192995682,0.23321739428414776,0.14593542252073197
EOS-3-08410,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)cn1,XUYYQYPYZPCJQB-UHFFFAOYSA-N,3,1,0.529,73,399,436.838,3.353,5,0.417,0.75,1.0,0.6142742101295319,0.8004848879446234,0.64945000342677,0.6422452196559523,0.6766135802892193
EOS-3-08411,OCc1ccc(-c2nnc3cncc(-c4ncnnc4-c4cc(F)cc(F)c4F)n23)cc1,NTGODFMFZBRPBJ-UHFFFAOYSA-N,3,1,0.357,45,730,435.369,3.22,5,0.433,0.71,0.911,0.4889058323624152,0.5586663011445412,0.8796347063258173,0.8933674868069358,0.7051435816599273
EOS-3-08412,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4F)n23)nc1,HKXBIVXKHPHKQU-UHFFFAOYSA-N,3,1,0.279,98,219,439.418,2.573,6,0.444,0.67,1.0,0.1340980741553012,0.21619491467342883,0.35012165033239667,0.36225241587279833,0.2656667637584813
EOS-3-08413,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)cn5)ccn4)n23)nc1,YCBLGGUPSFAVIF-UHFFFAOYSA-N,3,1,0.398,33,53,453.466,2.285,5,0.411,0.69,0.999,0.3363631690768282,0.1155506819272154,0.14616887122198616,0.059994174491124666,0.1645192241792886
EOS-3-08414,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5ncc(Cl)cn5)n4)n23)cc1,GAUXWBSWXBAUBT-UHFFFAOYSA-N,3,1,0.556,73,335,451.277,3.924,5,0.396,0.75,1.0,0.8972397368240697,0.9500890960180933,0.3841066410801179,0.5269087108491536,0.6895860461928586
EOS-3-08415,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)nn5C)n34)cc2)cn1C,ANFCBMYRFPEULG-UHFFFAOYSA-N,3,1,0.361,9,553,447.506,3.963,6,0.406,0.78,1.0,0.09223151257624564,0.10962236995408128,0.1372678363374683,0.13512610513330134,0.11856195600027414
EOS-3-08416,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)nn4)n23)cc1,YIYSJMQOLCUFBF-UHFFFAOYSA-N,3,1,0.39,98,581,450.441,3.245,6,0.402,0.72,1.0,0.09464738537454595,0.2519960934822836,0.2688815022959358,0.35234905078473033,0.24196850798437394
EOS-3-08417,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cc1,SXXJYKJYYIZKLL-UHFFFAOYSA-N,3,1,0.342,25,508,450.441,3.245,6,0.402,0.72,1.0,0.24190425604824892,0.26212219861558494,0.31292406277842505,0.35526180522239736,0.2930530806661641
EOS-3-08418,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1,YNYOYRKELAPXRP-UHFFFAOYSA-N,3,1,0.583,15,320,432.875,3.257,5,0.406,0.73,1.0,0.7607514906449181,0.7083304776917277,0.3129326297032417,0.34906791857994657,0.5327706291549585
EOS-3-08419,N#Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)c1,LITKTWHETIGWPP-UHFFFAOYSA-N,3,1,0.576,35,393,438.426,3.276,5,0.397,0.77,0.999,0.9513484339661435,0.9432783907888425,0.7424782400109656,0.7216434788568296,0.8396871359056953
EOS-3-08420,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cn1,PUQHKOXOXAATRI-UHFFFAOYSA-N,3,1,0.303,98,219,453.445,2.583,6,0.4,0.72,1.0,0.20599170721677745,0.27747412788705367,0.1779093276677404,0.209846823384278,0.21780549653896236
EOS-3-08421,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnsc5)cn4)n23)cc1,NURTYXBXGNMMBY-UHFFFAOYSA-N,3,1,0.548,89,943,430.453,2.383,5,0.434,0.7,1.0,0.4863700226166815,0.2063600849838942,0.18749571653759167,0.11301487218148173,0.24831017407991227
EOS-3-08422,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cn4)n23)cc1,ANBSDJXIPBOETP-UHFFFAOYSA-N,3,1,0.256,94,342,419.412,2.49,6,0.457,0.78,0.767,0.1394010006168186,0.12591666095538345,0.14039476389555205,0.20400418065931053,0.15242915153176617
EOS-3-08423,Brc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncccn5)c4)n23)cc1,WJQUHHFSCUQJPS-UHFFFAOYSA-N,3,1,0.645,97,770,460.295,3.985,5,0.392,0.8,1.0,0.9169779316016723,0.8547734905078473,0.505003084092934,0.48768932903844836,0.6911109588102256
EOS-3-08424,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)nn1,YISARXIVNSBLJY-UHFFFAOYSA-N,3,1,0.311,98,42,434.467,3.049,6,0.42,0.72,1.0,0.055693578233157424,0.030583921595504077,0.24025083955863202,0.2130337194160784,0.13489051470084298
EOS-3-08425,COc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ncncn6)cc5)n34)cn2)cn1,DCWUKAGYNWPELL-UHFFFAOYSA-N,3,1,0.31,42,106,460.461,3.171,6,0.378,0.77,1.0,0.3639572339113152,0.20636865190871084,0.2802583784524707,0.2040127475841272,0.263649252964156
EOS-3-08426,N#Cc1ccc(-c2nnc3cncc(Oc4ncnc(-c5ccc(F)c(Cl)c5)n4)n23)cc1,JBFKFJZUEIBBIB-UHFFFAOYSA-N,3,1,0.536,13,316,444.817,4.1,5,0.407,0.78,1.0,0.9702299362620793,0.9362706462888082,0.8243694743334933,0.8361489959564115,0.8917547632101981
EOS-3-08427,COc1ncc(C)nc1-c1cccc(COc2cncc3nnc(-c4ccc(C)cn4)n23)c1,RVAOXEKVWPWLLE-UHFFFAOYSA-N,3,1,0.4,89,348,439.479,3.848,5,0.393,0.79,1.0,0.4177146871359057,0.1553611815502707,0.27656603385648687,0.16009012404907136,0.25243300664793367
EOS-3-08428,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nn1,BPDWJOYYPBOPRL-UHFFFAOYSA-N,3,1,0.288,10,37,435.426,3.635,6,0.417,0.74,0.999,0.004857446371050647,0.11555924885203207,0.4980553080666164,0.5794753615242273,0.29948684120348157
EOS-3-08429,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nnc(C)o5)c4)n23)cn1,SCZKLMLVFLTHKX-UHFFFAOYSA-N,3,1,0.462,53,226,444.415,1.273,5,0.402,0.73,0.999,0.37797272291138373,0.1473768076211363,0.02303646083201974,0.0072390514700842986,0.138906260708656
EOS-3-08430,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)nn1,DMYJTYWOHCITND-UHFFFAOYSA-N,3,1,0.366,25,508,462.477,3.114,6,0.38,0.79,1.0,0.2737389486669865,0.1630285792611884,0.2186279213213625,0.19511171269960934,0.2126267904872867
EOS-3-08431,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,PBNRRJPLEDIPQF-UHFFFAOYSA-N,3,1,0.398,31,602,433.863,2.652,5,0.402,0.73,0.997,0.4087194160784045,0.3233157425810431,0.18429168665615792,0.20402131450894387,0.2800870399561373
EOS-3-08432,Cn1cc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)cn2)cn1,ZZJBWNJIPQIKAW-UHFFFAOYSA-N,3,1,0.302,39,972,438.43,2.974,6,0.417,0.71,1.0,0.008395586320334453,0.10310294016859708,0.3276334726886437,0.37500856692481666,0.20353514152559798
EOS-3-08433,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5F)n4)n23)cc1,XFQXTXSAMCVMTK-UHFFFAOYSA-N,3,1,0.333,3,289,456.42,3.113,6,0.401,0.72,0.986,0.03592968268110479,0.1970906723322596,0.40589233088890414,0.46963881844972927,0.27713787608799945
EOS-3-08434,N#Cc1ccc(F)c(-c2nnc3cncc(OCc4cnc(-c5ncc(F)cn5)nc4)n23)c1,WNCGSGAIGZZHKS-UHFFFAOYSA-N,3,1,0.494,73,863,443.377,2.767,5,0.403,0.72,1.0,0.9113922966212048,0.8241381673634433,0.569631964909876,0.5855236104447947,0.7226715098348298
EOS-3-08435,CCn1c(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)nc2cc(F)ccc21,PZMUQXKPPQMRFG-UHFFFAOYSA-N,3,1,0.35,61,124,415.432,3.327,5,0.486,0.85,1.0,0.24737852100609964,0.26726235350558564,0.26889006922075254,0.2537523130697005,0.25932081420053454
EOS-3-08436,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccc5Cl)n4)n23)cn1,GPUMRBMGXHGFQC-UHFFFAOYSA-N,3,1,0.337,82,204,468.908,3.856,6,0.417,0.78,0.902,0.22242306901514633,0.2568192721540676,0.13727640326228496,0.27459564114865326,0.22277859639503805
EOS-3-08437,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,LJJCTDDWXYIWQN-UHFFFAOYSA-N,3,1,0.303,30,945,446.478,3.589,6,0.395,0.75,1.0,0.13161366595846755,0.08733979850592831,0.09562401480364609,0.15743437735590432,0.11800296415598656
EOS-3-08438,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(F)c5)ccc4F)n23)cc1,JTQKWBKPLFDGGA-UHFFFAOYSA-N,3,1,0.404,83,3,441.441,4.763,5,0.436,0.84,1.0,0.3386162703036118,0.38100541429648416,0.9150846412171887,0.9013175930368035,0.634005979713522
EOS-3-08439,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,ZYVTZNXFSVFICZ-UHFFFAOYSA-N,3,1,0.714,90,281,417.803,3.748,4,0.475,0.82,1.0,0.9471335069563429,0.9195308751970392,0.8731324103899664,0.842120142553629,0.8954792337742443
EOS-3-08440,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5F)n4)n23)cc1,QRPMOEANZXQSHL-UHFFFAOYSA-N,3,1,0.321,67,973,439.418,2.369,6,0.411,0.68,1.0,0.06840689466109245,0.2520046604071003,0.10865430744979782,0.18175587691042425,0.1527054348571037
EOS-3-08441,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)nn5)n34)nn2)cc1,BBSAAOQZZAYGSY-UHFFFAOYSA-N,3,1,0.288,10,342,431.423,2.557,6,0.41,0.73,0.629,0.06841546158590912,0.07368412034815983,0.10068706737029676,0.1626859022685217,0.10136813789322185
EOS-3-08442,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C=Cc4ccc(Cl)nc4)n23)s1,SXNKHYQPUCNULC-UHFFFAOYSA-N,3,1,0.33,63,505,422.901,3.964,5,0.492,0.75,1.0,0.08488109108354465,0.062487149612774996,0.10866287437461448,0.18443732437804125,0.11011710986224385
EOS-3-08443,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cc(OC)ncn5)cc4F)n23)cn1,DPDRQAQFVKKNSA-UHFFFAOYSA-N,3,1,0.424,13,374,445.414,3.592,5,0.387,0.78,1.0,0.8164279350284422,0.7313498046741141,0.607720512644781,0.39691419368103625,0.6381031115070934
EOS-3-08444,Cn1nc(-c2ccc(Cl)s2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,SSXFERDCFMKOLJ-UHFFFAOYSA-N,3,1,0.341,74,295,476.953,3.861,6,0.413,0.86,0.967,0.21171441299431157,0.2621307655404016,0.03815708313343842,0.10607566307998081,0.15451948118703313
EOS-3-08445,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1,HHPNQMSONRUWII-UHFFFAOYSA-N,3,1,0.324,98,882,433.439,2.501,6,0.412,0.69,1.0,0.0592659858817079,0.0254951682544034,0.19082825029127545,0.189834487012542,0.1163559728599822
EOS-3-08446,Cc1cnc(-c2cc(Cc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c(F)cn2)cn1,BMPSFMNQXKIGSO-UHFFFAOYSA-N,3,1,0.373,85,81,458.432,2.92,5,0.429,0.65,1.0,0.22243163593996298,0.21620348159824548,0.5326314166266877,0.46656329244054556,0.3594574566513604
EOS-3-08447,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5n[nH]c(C)n5)c(F)c4)n23)c(Cl)c1,HLSLFNPGFZTILU-UHFFFAOYSA-N,3,1,0.353,61,648,462.876,3.704,5,0.421,0.8,1.0,0.29297169488040575,0.3714275923514495,0.5463727640326228,0.5269172777739702,0.434422332259612
EOS-3-08448,Fc1ccc(-c2nncnn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,PFKCZYGGVBTPCG-UHFFFAOYSA-N,3,1,0.658,43,258,434.822,3.41,5,0.414,0.72,1.0,0.9760811459118635,0.9784370502364471,0.7192618737577959,0.7874545952984716,0.8653086663011446
EOS-3-08449,CCn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)c1C,GKPYOADNFNUNPF-UHFFFAOYSA-N,3,1,0.303,52,295,465.521,3.332,6,0.409,0.8,1.0,0.05401446096909054,0.05082756493729011,0.021828524432869575,0.030044205332054007,0.03917868891782606
EOS-3-08450,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnc5Cl)nc4)n23)c(F)c1,SYFITJBILQWAFR-UHFFFAOYSA-N,3,1,0.388,14,358,459.872,3.731,5,0.401,0.75,0.987,0.20889589472962786,0.2672709204304023,0.682406963196491,0.676966965937907,0.458885186073607
EOS-3-08451,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)n2)n1,CNYJQKJPGQVTND-UHFFFAOYSA-N,3,1,0.382,93,74,449.453,3.85,6,0.403,0.76,1.0,0.1809677198272908,0.35725789870468094,0.40220855321773696,0.5001456377218834,0.360144952367898
EOS-3-08452,Clc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)c1,AMUMWUDYMHGDRR-UHFFFAOYSA-N,3,1,0.303,10,748,452.869,3.544,6,0.399,0.75,0.901,0.0037009115208004933,0.10311150709341375,0.1713042286340895,0.352357617709547,0.1576185662394627
EOS-3-08453,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5nnco5)n4)n23)cc1,DSJVSXRAORVWAF-UHFFFAOYSA-N,3,1,0.34,74,333,431.391,2.187,5,0.444,0.66,1.0,0.3410921115756288,0.2113888698512782,0.0642947707490919,0.050185045576040026,0.16674019943800972
EOS-3-08454,CCc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(C)nc3)n12,XDTLDHKKIMWMIG-UHFFFAOYSA-N,3,1,0.327,63,334,413.485,2.935,5,0.522,0.8,0.999,0.0922400795010623,0.020988965800836132,0.06430333767390857,0.05701288465492427,0.05863631690768282
EOS-3-08455,Cn1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1cccc(F)c1,GLRKWBALKMXBAZ-UHFFFAOYSA-N,3,1,0.538,95,266,433.422,3.487,5,0.381,0.84,1.0,0.4988091974504832,0.4188112535124392,0.622626961825783,0.6366424508258516,0.5442224659036392
EOS-3-08456,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,VHLRYVJZXIONBZ-UHFFFAOYSA-N,3,1,0.352,64,365,447.462,3.505,6,0.395,0.76,1.0,0.015163456925502021,0.005499965732300733,0.23322596120896444,0.2477897333972997,0.12541977931601672
EOS-3-08457,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cc1)N1CCCC1,YLRKDYFJBJLKKE-UHFFFAOYSA-N,3,1,0.343,52,376,465.492,4.29,6,0.393,0.83,1.0,0.10454218353779728,0.0934908505242958,0.03816565005825509,0.17052463847577273,0.10168083064903022
EOS-3-08458,Fc1cnc(-c2cncnc2)c(-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)c1,GXDPILYQTJSMQN-UHFFFAOYSA-N,3,1,0.288,94,151,436.414,3.03,6,0.414,0.72,0.991,0.009809128915084642,0.12226715098348297,0.3501302172572133,0.3877732849016517,0.21749494551435816
EOS-3-08459,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)cnc4F)n23)cc1F,PPOKOYSDTMZHDH-UHFFFAOYSA-N,3,1,0.368,74,274,462.395,3.087,5,0.409,0.73,0.995,0.2956788431224728,0.3424970872455623,0.7243763278733466,0.6592676992666713,0.5054549893770133
EOS-3-08460,NC(=O)c1ccc(-c2nnc3cncc(Cc4nccc(-c5ccsc5)c4F)n23)cc1,WTCOYJMJIJIBJE-UHFFFAOYSA-N,3,1,0.43,14,357,430.468,3.744,5,0.458,0.68,1.0,0.2929802618052224,0.20192241792886026,0.54961962853814,0.5069991775752176,0.38788037146186005
EOS-3-08461,COC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cncnc5)c4)n23)nc1,YOEVYRSRAXKCLA-UHFFFAOYSA-N,3,1,0.417,46,348,457.425,3.148,5,0.354,0.84,1.0,0.6000531149338634,0.3617469673086149,0.5564303337673908,0.4191710643547392,0.4843503700911521
EOS-3-08462,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncc(C)nn5)c4)n23)cc1,NIDGLWXTDSJOKH-UHFFFAOYSA-N,3,1,0.495,89,398,453.466,2.285,5,0.411,0.7,1.0,0.44319272154067574,0.17092728394215612,0.13401240490713454,0.061450551709958195,0.20239574052498113
EOS-3-08463,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccc(F)cn5)ncn4)n23)nc1,HZZNPWVFVBLSFN-UHFFFAOYSA-N,3,1,0.381,85,647,427.403,1.867,5,0.449,0.64,1.0,0.17498800630525665,0.13259886231238435,0.18750428346240833,0.17053320540058942,0.1664060893701597
EOS-3-08464,c1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)nc5)n34)cc2)nc1,PDTDRVJKGDPETR-UHFFFAOYSA-N,3,1,0.328,42,608,429.447,3.767,6,0.417,0.76,1.0,0.1562435748063875,0.147385374545953,0.3765934480159002,0.3654735796038654,0.26142399424302654
EOS-3-08465,CCn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)cn1,BGTCXUSDQDAGRZ-UHFFFAOYSA-N,3,1,0.26,86,957,434.467,3.317,6,0.41,0.71,1.0,0.004866013295867316,0.004137824686450552,0.25091666095538345,0.2361558494962648,0.12401908710849152
EOS-3-08466,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)n1,HDQRHOLKIXQCBF-UHFFFAOYSA-N,3,1,0.315,38,787,432.451,3.106,6,0.418,0.73,1.0,0.08995271057501199,0.062495716537591665,0.18430025358097457,0.21590363922966213,0.1381630799808101
EOS-3-08467,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)cn1,PGGAVHNRVPBPID-UHFFFAOYSA-N,3,1,0.28,70,957,432.451,3.106,6,0.418,0.73,0.98,0.03198033034062093,0.011899458570351587,0.29847166061270647,0.2954304023027894,0.1594454629566171
EOS-3-08468,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1,NVULMUDJGSYDLM-UHFFFAOYSA-N,3,1,0.284,30,301,432.451,3.106,6,0.418,0.73,0.998,0.055702145157974094,0.03670927283942156,0.1033085463641971,0.1734116921389898,0.09228291412514564
EOS-3-08469,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-n5ccnc5)n4)n23)nc1,VPBJMSGIDDFQFX-UHFFFAOYSA-N,3,1,0.371,33,53,471.456,2.377,6,0.384,0.78,1.0,0.3111935439654582,0.14739394147076965,0.09119491467342883,0.1082345281337811,0.16450423206085946
EOS-3-08470,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cnn2)n1,OXQRCWYOMZBRBE-UHFFFAOYSA-N,3,1,0.517,36,571,436.386,2.288,5,0.394,0.76,1.0,0.6116784319100815,0.4369302994996916,0.35756630799808103,0.3425913234185457,0.43719159070659996
EOS-3-08471,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccn6)c5)n34)cc2)c1,YFFSVBCVHKHLDC-UHFFFAOYSA-N,3,1,0.37,3,150,434.438,4.24,6,0.413,0.8,1.0,0.01517202385031869,0.20637721883352753,0.6341066410801178,0.6913936673291755,0.38676238777328487
EOS-3-08472,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nn1,FFCLIGNZRHFPNG-UHFFFAOYSA-N,3,1,0.373,93,689,452.869,3.544,6,0.399,0.77,0.987,0.061056473168391474,0.24186998834898224,0.17474813241038997,0.3587142759235145,0.20909721746281956
EOS-3-08473,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)c1,IVDZLIOOBCAZKB-UHFFFAOYSA-N,3,1,0.322,3,158,452.869,3.544,6,0.399,0.77,1.0,0.04180659310533891,0.2364813926392982,0.2765746007813035,0.4352340483859914,0.247524158727983
EOS-3-08474,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)nc1)N1CC(F)C1,LHJRQCKJDWNVBM-UHFFFAOYSA-N,3,1,0.358,52,821,457.494,3.771,6,0.408,0.77,0.999,0.25263861284353367,0.2267664998971969,0.1553611815502707,0.25972345966691796,0.22362243848947982
EOS-3-08475,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cc1,YVXOVOFSZHIBEF-UHFFFAOYSA-N,3,1,0.362,94,170,429.447,3.767,6,0.417,0.78,1.0,0.11204680967719827,0.11556781577684874,0.39502090329655265,0.4160098690973888,0.25966134946199715
EOS-3-08476,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)nc1,WGOAFZNSWQWSJO-UHFFFAOYSA-N,3,1,0.28,32,957,429.447,3.767,6,0.417,0.78,1.0,0.12020252210266602,0.10632410389966418,0.36865190871084913,0.3783239668288671,0.2433756253855116
EOS-3-08477,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nn5)n34)cc2)c1,PXAVBWLWTRQODX-UHFFFAOYSA-N,3,1,0.27,70,369,432.451,3.106,6,0.418,0.75,0.97,0.06630799808100885,0.03376225070248783,0.2579843739291344,0.2659944486327188,0.15601226783633748
EOS-3-08479,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)o1,MELBDXLYHZRSBO-UHFFFAOYSA-N,3,1,0.394,14,740,412.413,2.234,5,0.464,0.89,1.0,0.14484099787540264,0.0337708176273045,0.11397436776094853,0.06615379343430883,0.08968499417449112
EOS-3-08480,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)cc1,JZQDGMDZXVDYSC-UHFFFAOYSA-N,3,1,0.355,67,642,452.457,3.188,6,0.405,0.71,1.0,0.21985299157014598,0.28794291001302175,0.3539681995750805,0.362260982797615,0.3060062709889658
EOS-3-08481,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cccnn1,XJVZVZGHUCKLPH-UHFFFAOYSA-N,3,1,0.548,34,32,433.834,4.015,5,0.413,0.79,0.998,0.8508498389418134,0.9562744157357275,0.6607326434103215,0.726869302994997,0.7986815502707147
EOS-3-08482,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3)n12,ONNMFZXDPRSXGR-UHFFFAOYSA-N,3,1,0.325,64,27,449.453,3.85,6,0.403,0.78,1.0,0.10704372558426427,0.23648995956411487,0.17475669933520663,0.2985487629360565,0.20420978685491056
EOS-3-08483,COc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC)nc5)n34)cc2)nc1,KGGPRTJZNUMXFA-UHFFFAOYSA-N,3,1,0.513,13,374,427.424,3.453,5,0.402,0.8,1.0,0.5163028579261189,0.2933229387978891,0.4091905969433212,0.22143787266122952,0.36006356658213967
EOS-3-08484,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncccn1,WRCCJHVRBYWPNL-UHFFFAOYSA-N,3,1,0.511,37,132,448.849,3.452,5,0.389,0.74,1.0,0.9313874991433075,0.9286375162771572,0.427532382975807,0.4848793776985813,0.6931091940237132
EOS-3-08485,FC(F)Oc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)ccn1,IEANESSMUCBCPL-UHFFFAOYSA-N,3,1,0.473,90,473,418.791,3.458,4,0.454,0.77,1.0,0.8508584058666301,0.8939671715441025,0.8186810362552258,0.7921578370228223,0.8389161126721951
EOS-3-08486,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)c1,WMSZFWCBEDYWSA-UHFFFAOYSA-N,3,1,0.268,64,27,446.478,3.414,6,0.405,0.75,1.0,0.047503598108423,0.0209975327256528,0.13109108354465082,0.18699026797340826,0.09664562058803372
EOS-3-08487,CONC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1,WXIXRDKSHPULIM-UHFFFAOYSA-N,3,1,0.484,89,268,454.45,2.514,5,0.369,0.79,1.0,0.45943561099307795,0.15136042766088684,0.2839078884243712,0.14937290110341991,0.26101920704543896
EOS-3-08488,Cc1c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cccc1C(F)(F)F,GHJCRTKGQASHHI-UHFFFAOYSA-N,3,1,0.355,0,188,455.415,4.817,5,0.448,0.83,1.0,0.3802429579878007,0.4895140840243986,0.9509629223493935,0.9359108354465081,0.6891576999520252
EOS-3-08489,COc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)n1,SFIXRSGODZTGSV-UHFFFAOYSA-N,3,1,0.341,3,289,447.462,3.505,6,0.395,0.74,1.0,0.12569392091015008,0.06638510040435885,0.2473099856075663,0.21304228634089506,0.16310782331574258
EOS-3-08490,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)c2)n1,PQRIOCAWHXOSEU-UHFFFAOYSA-N,3,1,0.278,70,957,433.439,2.501,6,0.412,0.73,1.0,0.03882530326913851,0.030592488520320746,0.14946713727640326,0.1759903365088068,0.09871881639366734
EOS-3-08491,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5nnc(CF)o5)c4)n23)cc1F,LTPWQTIDMJIAIY-UHFFFAOYSA-N,3,1,0.347,74,859,434.366,2.611,5,0.445,0.66,1.0,0.26055445137413474,0.18821533822219177,0.3092488520320746,0.30162428894524024,0.26491073264341036
EOS-3-08492,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)nc1,WXYVAWQPAWHTCG-UHFFFAOYSA-N,3,1,0.429,7,535,444.39,1.25,5,0.404,0.7,1.0,0.47413645397847987,0.23649852648893152,0.1139829346857652,0.07928688917826057,0.22597620108285926
EOS-3-08493,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(OC)cn4)n23)cc1Cl,TYXNWZOPCZYWMZ-UHFFFAOYSA-N,3,1,0.35,74,437,409.837,2.66,4,0.539,0.89,1.0,0.47132650263861287,0.41426221643478855,0.2332345281337811,0.17054177232540607,0.3223412548831472
EOS-3-08494,Fc1cncc(Cc2nnc3cncc(OCCc4ccc(-c5ccccc5)nn4)n23)c1,IMKUTMKAYMPMBU-UHFFFAOYSA-N,3,1,0.386,19,54,427.443,3.328,5,0.393,0.8,0.95,0.44320128846549245,0.1709358508669728,0.335155232677678,0.38778185182646835,0.3342685559591529
EOS-3-08495,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnc(F)c5)c4)n23)cc1,KBYWTMSOBYCPKJ-UHFFFAOYSA-N,3,1,0.313,98,150,438.43,2.974,6,0.39,0.73,1.0,0.016003015557535468,0.13618840381056815,0.4059008978137208,0.3939243369200192,0.2380041635254609
EOS-3-08496,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nn[nH]n6)nn5C)n34)cc2)n1C,QZIWGAQUKSEITQ-UHFFFAOYSA-N,3,1,0.288,98,882,438.459,2.081,6,0.442,0.68,1.0,0.08488965800836132,0.08734836543074498,0.05834932492632445,0.04752073195805634,0.06952702008087178
EOS-3-08497,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncnc5F)c4)n23)c(C)n1,AHMBVGPUOZJYMC-UHFFFAOYSA-N,3,1,0.462,75,43,428.431,3.373,5,0.393,0.78,1.0,0.6884295113426084,0.5444195051744226,0.4532417243506271,0.3330649030224111,0.5047889109725173
EOS-3-08498,c1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)ncn2)ccn1,XMAOIWJXHOVQPX-UHFFFAOYSA-N,3,1,0.262,86,790,430.435,3.162,6,0.415,0.74,0.998,0.0762713316427935,0.058657734219724485,0.3129411966280584,0.31126207936399153,0.18978308546364198
EOS-3-08499,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4F)n23)nc1,BADAGLABRBILLR-UHFFFAOYSA-N,3,1,0.427,33,760,460.433,1.454,5,0.399,0.74,1.0,0.44079398259200875,0.337476869302995,0.13728497018710165,0.08611472825714482,0.2504176375848125
EOS-3-08500,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)c1,DJZNXVWWBQGHLA-UHFFFAOYSA-N,3,1,0.342,99,765,453.445,2.583,6,0.4,0.73,1.0,0.19235316290864232,0.3374854362278117,0.19787026249057638,0.23033890754574737,0.23951194229319445
EOS-3-08501,Cn1cc(-c2nn(C)cc2-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)cn1,LHGDOZZYNGEDPU-UHFFFAOYSA-N,3,1,0.291,99,286,437.471,2.388,6,0.416,0.7,1.0,0.049216983071756565,0.021006099650469467,0.10331711328901377,0.077445000342677,0.0627462990884792
EOS-3-08502,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(C#N)cc5)nc4)n23)cc1,QZRBVBSETCSVPZ-UHFFFAOYSA-N,3,1,0.403,9,642,456.473,3.582,6,0.394,0.76,1.0,0.20600027414159414,0.1553697484750874,0.47064114865327944,0.4817695839901309,0.32844518881502294
EOS-3-08503,Cn1cc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cc(F)ccn5)n34)cn2)cn1,RYLAQQUYDOQCBC-UHFFFAOYSA-N,3,1,0.252,86,953,439.418,2.369,6,0.411,0.7,1.0,0.0005482831882667398,0.06639366732917552,0.18090775135357412,0.21852511822356246,0.11659370502364472
EOS-3-08504,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)nc1,GRZWUZCCUSXAHS-UHFFFAOYSA-N,3,1,0.333,70,687,431.463,3.711,6,0.419,0.74,0.999,0.12021108902748269,0.047246590363922966,0.29117264066890547,0.28636659584675483,0.1862492289767665
EOS-3-08505,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)n1C,OAWHZUKUBFJLJW-UHFFFAOYSA-N,3,1,0.333,25,791,448.494,3.358,6,0.407,0.73,1.0,0.12869234459598383,0.06640223425399219,0.1908368172160921,0.18699883489822494,0.14323255774107327
EOS-3-08506,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)nc4)n23)nc1,IYAUMRGTHOAHCW-UHFFFAOYSA-N,3,1,0.32,33,647,450.466,1.916,6,0.411,0.67,0.495,0.07239051470084298,0.015788842437118773,0.03817421698307176,0.05404872866835721,0.04510057569734768
EOS-3-08507,Cc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)c(C)c5)n34)c2)cn1,RLUZZEMRETVUNT-UHFFFAOYSA-N,3,1,0.479,89,731,452.478,2.938,5,0.416,0.72,0.999,0.3802515249126174,0.11272359673771502,0.28026694537728736,0.1444554862586526,0.22942438832156808
EOS-3-08508,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)cc1,QCZUHILOTMMNMW-UHFFFAOYSA-N,3,1,0.31,10,507,437.402,2.425,6,0.409,0.72,0.61,0.025992049893770134,0.1797426495785073,0.10332568021383044,0.2008515523267768,0.12747798300322116
EOS-3-08509,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)nc4)n23)cn1,YEEQYWJPLYJADT-UHFFFAOYSA-N,3,1,0.333,85,60,424.428,1.384,5,0.443,0.69,0.998,0.13689089164553492,0.039981838119388664,0.07713659104927695,0.04347714344458913,0.07437161606469742
EOS-3-08510,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cn(-c4cccc(Cl)c4F)nn3)n12,VYVUEQYCDHRQNE-UHFFFAOYSA-N,3,1,0.352,22,997,448.849,3.239,5,0.451,0.71,0.969,0.029530189843053938,0.24187855527379892,0.5496281954629566,0.579483928449044,0.3501302172572134
EOS-3-08511,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc(-c6ccccc6)nn5)n4)n23)cc1,WTMROUZLZVGMJT-UHFFFAOYSA-N,3,1,0.368,30,465,472.472,2.866,6,0.399,0.75,1.0,0.12021965595229936,0.0434857103694058,0.12817832910698376,0.13307861010211774,0.10624057638270167
EOS-3-08512,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nn1,IMAVRIIXEHJKCA-UHFFFAOYSA-N,3,1,0.466,72,482,433.863,2.652,5,0.402,0.74,1.0,0.4432098553903091,0.5776677403879104,0.1681087656774724,0.2068912343225276,0.34896939894455486
EOS-3-08513,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Oc5ccccc5)cc4)n23)cc1,UWIXOBKGBLOKOM-UHFFFAOYSA-N,3,1,0.432,17,590,421.46,4.273,5,0.442,0.84,1.0,0.4336491672949078,0.21621204852306217,0.6743883215680899,0.5947758892467959,0.4797563566582139
EOS-3-08514,Oc1ccc(-c2ncc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)cn2)cc1,IAIHCAOLZAJDQW-UHFFFAOYSA-N,3,1,0.268,76,387,435.411,2.196,6,0.421,0.68,1.0,0.2170773079295456,0.16695223082722227,0.11399150161058187,0.13513467205811802,0.15828892810636694
EOS-3-08515,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cnn1,SKEMQFGSDJFCBL-UHFFFAOYSA-N,3,1,0.305,98,112,433.439,2.501,6,0.412,0.71,1.0,0.05571071208279076,0.058666301144541154,0.1372935371119183,0.20402988143376052,0.1139251079432527
EOS-3-08516,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)nc2)n1,MIZRFRBCQBNJOY-UHFFFAOYSA-N,3,1,0.302,70,899,433.439,2.501,6,0.412,0.71,0.984,0.09224864642587896,0.06641080117880885,0.08405009937632787,0.1040024672743472,0.08667800356384073
EOS-3-08517,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c(-c2cncn2C)n1,SYRHJSBWORFOBL-UHFFFAOYSA-N,3,1,0.275,25,866,449.482,2.753,6,0.403,0.72,1.0,0.07239908162565965,0.0736926872729765,0.09326811047906243,0.09367075594544583,0.0832576588307861
EOS-3-08518,Cc1nnc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cn5)n34)cn2)o1,GZAJHNYKGFIFIY-UHFFFAOYSA-N,3,1,0.267,86,780,437.427,2.402,6,0.404,0.69,1.0,0.05571927900760743,0.054639846480707285,0.0547683503529573,0.04615859091220616,0.05282151668836954
EOS-3-08519,CCn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nc1,OCTXXHZTNRGDCL-UHFFFAOYSA-N,3,1,0.316,98,42,448.494,3.532,6,0.397,0.78,1.0,0.13410664108011788,0.043494277294222464,0.16182064286203823,0.13514323898293468,0.11864120005482831
EOS-3-08520,Cn1cnnc1-c1ccc(F)c(-c2nnc3cncc(-c4ncc(-c5cncnc5)nn4)n23)c1,WOYYIVACIGEYQN-UHFFFAOYSA-N,3,1,0.325,99,765,452.417,2.035,6,0.39,0.73,1.0,0.15625214173120416,0.33248235213487765,0.14327325063395244,0.19273010760057568,0.20618446302515248
EOS-3-08521,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cncc(F)c5)nn4)n23)cc1,UJPUSPUAKAZSAX-UHFFFAOYSA-N,3,1,0.341,74,997,415.392,1.933,5,0.477,0.79,1.0,0.03883387019395518,0.10963093687889795,0.28391645534918786,0.23912857240764854,0.16787745870742238
EOS-3-08522,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4F)n23)n1,OLOXDYUMYDZAGX-UHFFFAOYSA-N,3,1,0.506,20,279,432.394,2.938,5,0.403,0.75,1.0,0.8164365019532589,0.8859913645397848,0.5015420464670002,0.5102546090055514,0.6785561304913988
EOS-3-08523,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)nc2)n1,DHZLSTADBOMANM-UHFFFAOYSA-N,3,1,0.337,94,507,451.429,2.64,6,0.398,0.71,0.995,0.18097628675210747,0.2621393324652183,0.17791789459255705,0.2507367555342334,0.21794256733602907
EOS-3-08524,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c(F)c1,QJFGRTAFTRGBNP-UHFFFAOYSA-N,3,1,0.317,86,219,451.429,2.64,6,0.398,0.71,1.0,0.2170858748543623,0.30326913851004045,0.24731855253238297,0.29543896922760604,0.26577813378109794
EOS-3-08525,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)cccc5F)cn4)n23)cc1,MLHLMIZKYGOMIV-UHFFFAOYSA-N,3,1,0.385,62,3,438.466,4.327,5,0.452,0.75,1.0,0.25773593310945103,0.2774826948118703,0.7270663422657803,0.6394010006168186,0.47542149270098
EOS-3-08526,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)n2)n1,XDQLAEQBAYSMCA-UHFFFAOYSA-N,3,1,0.297,76,356,452.417,2.035,6,0.39,0.7,0.969,0.07042012199300939,0.15917346309368788,0.047375094236172983,0.10401103419916387,0.09524492838050852
EOS-3-08527,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccncc4-c4ccccc4)n23)nc1,PRVTXRRLIBYMLB-UHFFFAOYSA-N,3,1,0.303,25,213,432.451,3.106,6,0.418,0.71,1.0,0.1697364813926393,0.08061476252484408,0.1747652662600233,0.2507453224590501,0.16896545815913921
EOS-3-08528,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)c1,OHIRTVRWLDVJJS-UHFFFAOYSA-N,3,1,0.533,11,132,447.861,4.057,5,0.387,0.79,1.0,0.8191093824960592,0.872447056404633,0.5982883284216298,0.6798111849770406,0.7424139880748407
EOS-3-08529,NC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(F)cn5)s4)n23)nc1,HGHMGUAWTXKGCV-UHFFFAOYSA-N,3,1,0.411,33,128,449.431,1.917,5,0.41,0.7,0.998,0.40010965663765335,0.25201322733191694,0.04738366116098965,0.047529298882873,0.18675896100335826
EOS-3-08530,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(F)c(-c5ccnc(F)c5)n4)n23)cc1,KFHFMRJLYJGBSZ-UHFFFAOYSA-N,3,1,0.309,62,302,469.455,4.086,6,0.39,0.87,1.0,0.19494037420327598,0.20638578575834418,0.4810585292303475,0.5761856623946269,0.3646425878966486
EOS-3-08531,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nn5)n34)nc2)cc1F,JXVMQWKAMHVNTG-UHFFFAOYSA-N,3,1,0.296,52,523,466.48,3.65,6,0.421,0.77,0.999,0.15890788842437117,0.20639435268316086,0.20487800699061065,0.3112706462888082,0.22036272359673773
EOS-3-08532,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccnc(F)c5)n4)n23)cc1,UMHPYBROAQKKBQ-UHFFFAOYSA-N,3,1,0.352,62,139,457.444,3.943,5,0.402,0.81,1.0,0.2984202590638065,0.2879514769378384,0.6135974230690151,0.5471180864916729,0.43677181139058324
EOS-3-08533,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cc4F)n23)nc1,LPCGOXVGEBAFBL-UHFFFAOYSA-N,3,1,0.291,52,523,441.43,2.67,6,0.429,0.77,0.994,0.12022822287711603,0.20193098485367691,0.20123706394352683,0.2894849564800219,0.20322030703858543
EOS-3-08534,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(Oc5ccccc5F)n4)n23)cc1,LWUQVTBQIUVEKV-UHFFFAOYSA-N,3,1,0.342,29,704,468.452,3.467,6,0.402,0.8,1.0,0.4453944212185594,0.4409567541635255,0.18091631827839078,0.2214464395860462,0.32217848331163046
EOS-3-08535,COc1cc(-c2ccc(-c3nnnn3C)cn2)ccc1-c1nnc2cncc(Cl)n12,NHUNEDIUDFWNAJ-UHFFFAOYSA-N,3,1,0.547,36,917,419.836,2.706,5,0.437,0.81,1.0,0.287497429922555,0.2933315057227058,0.21518401754506203,0.24199849222123226,0.25950286135288875
EOS-3-08536,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(C)nc5C)cn4)n23)cc1,ZSVNNQULJRMXPZ-UHFFFAOYSA-N,3,1,0.516,89,731,466.505,3.199,5,0.405,0.77,1.0,0.3779812898362004,0.15537831539990404,0.2048865739154273,0.0844184771434446,0.2056661640737441
EOS-3-08537,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cc1,MRDQTSINWMQHJI-UHFFFAOYSA-N,3,1,0.338,25,508,449.482,2.927,6,0.394,0.74,1.0,0.13162223288328423,0.06250428346240833,0.06431190459872524,0.08442704406826125,0.08571636625316977
EOS-3-08538,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)c(F)c2)cn1,UADNPYABEODIJE-UHFFFAOYSA-N,3,1,0.34,3,668,436.454,4.184,6,0.414,0.78,1.0,0.023884586388869852,0.2365070934137482,0.7164519224179289,0.7137019395517785,0.42263638544308135
EOS-3-08539,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(OC(F)F)nc4)n23)cc1,MUUGKSRXESWYAH-UHFFFAOYSA-N,3,1,0.549,36,320,450.409,3.162,5,0.372,0.78,1.0,0.617289767664999,0.47172058118017957,0.6607412103351381,0.5235247755465698,0.5683190836817216
EOS-3-08540,O=C(NCCO)c1ccc(-c2nnc3cncc(-c4cc(Cl)nc(Cl)n4)n23)cc1,HLEHZOYTNXHHOF-UHFFFAOYSA-N,3,1,0.361,74,999,430.255,2.277,4,0.368,0.84,1.0,0.22830854636419712,0.192464532931259,0.3204715235419094,0.33945582893564524,0.2701751079432527
EOS-3-08541,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,IFRHMADHGURRFS-UHFFFAOYSA-N,3,1,0.423,18,211,432.875,3.257,5,0.38,0.79,1.0,0.4549636762387773,0.37143615927626616,0.3314371873072442,0.34259989034336236,0.37510922829141247
EOS-3-08542,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)n1,WJBRZDBVQDJINN-UHFFFAOYSA-N,3,1,0.337,74,768,415.392,1.887,5,0.474,0.79,0.991,0.2060088410664108,0.16696079775203893,0.17131279555890616,0.17342025906380645,0.17942567336029056
EOS-3-08543,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cccnn5)c(F)c4)n23)cn1,VXNZHQMXCLEYPH-UHFFFAOYSA-N,3,1,0.365,85,60,467.468,2.66,6,0.404,0.74,0.344,0.1477280515386197,0.18822390514700843,0.08637173600164486,0.13751627715715167,0.13995999246110616
EOS-3-08544,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(CCC(F)(F)C(F)F)c4)n23)cn1,BHNFNJOCYZUOKR-UHFFFAOYSA-N,3,1,0.337,68,455,448.384,2.7,4,0.436,0.71,1.0,0.11509663491193202,0.140112055376602,0.721917620450963,0.573033034062093,0.3875398362003975
EOS-3-08545,Fc1cccc(-c2cncc3nnc(-c4cnc(-c5ccc(C(F)(F)F)nn5)cn4)n23)c1,QYISCBVRPUXIHY-UHFFFAOYSA-N,3,1,0.338,22,315,438.348,3.863,5,0.395,0.76,1.0,0.26851312452881915,0.44096532108834213,0.9159756013981222,0.8837211294633678,0.6272937941196628
EOS-3-08546,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)nn1,ASBGPAGMFQDRAV-UHFFFAOYSA-N,3,1,0.289,98,882,435.455,2.444,6,0.414,0.68,1.0,0.06631656500582551,0.03671783976423823,0.12290110341991639,0.12002261668151601,0.08648953121787403
EOS-3-08547,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(C)nn5)n34)cc2Cl)nc1,KWPHIVBYIGHFEM-UHFFFAOYSA-N,3,1,0.404,16,706,430.859,4.101,5,0.419,0.79,1.0,0.6823212939483243,0.6837091357686245,0.36866047563566584,0.3490764855047632,0.5209418477143445
EOS-3-08548,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-n5cc(F)cn5)c4)n23)cc1,OEVMMJCDOAPBAM-UHFFFAOYSA-N,3,1,0.31,67,642,437.442,3.579,6,0.419,0.71,1.0,0.061065040093208144,0.19247309985607566,0.49450860119251594,0.5139897882256186,0.31550913234185457
EOS-3-08549,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccn4)n23)c(F)c1,XAFUQOVFXUSHKU-UHFFFAOYSA-N,3,1,0.473,4,817,442.414,2.46,5,0.424,0.69,0.998,0.5347046124323213,0.38564868754711806,0.5193526831608526,0.41290007538893836,0.4631515146323075
EOS-3-08550,Cn1cncc1-n1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5(F)CC5)cc4)n23)cn1,HBQOLRLULBSHEK-UHFFFAOYSA-N,3,1,0.327,74,450,443.446,2.567,6,0.418,0.69,1.0,0.03884243711877185,0.09666917963127955,0.14947570420121992,0.1870074018230416,0.11799868069357823
EOS-3-08551,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)cn5)ncc4F)n23)cc1,IDKSYQDRQCXXEU-UHFFFAOYSA-N,3,1,0.484,89,731,470.468,3.029,5,0.402,0.77,1.0,0.6369679939688849,0.37631930642176686,0.4311133575491741,0.26600301555753547,0.42760091837434033
EOS-3-08552,CNC(=O)c1ccc(-c2nnc3cncc(-c4oc(C)nc4-c4cccnc4F)n23)cc1,YEILRBZKFNTCTN-UHFFFAOYSA-N,3,1,0.36,62,139,429.415,3.315,5,0.436,0.73,1.0,0.2712631073949695,0.32796758275649374,0.31683914741964225,0.2273490507847303,0.28585472208895896
EOS-3-08553,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)n4)n23)nc1,YEKIGCLCKDZQQS-UHFFFAOYSA-N,3,1,0.421,33,760,442.443,1.315,5,0.412,0.7,0.984,0.30076759646357343,0.10963950380371462,0.03544136796655473,0.012841820300185046,0.11467257213350696
EOS-3-08554,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4cccnn4)ccn3)n12,WNZMCNZWKQNMQP-UHFFFAOYSA-N,3,1,0.433,54,692,433.834,4.015,5,0.413,0.76,1.0,0.6172983345898156,0.6396151737372353,0.7820745665136043,0.8142519361250086,0.713310002741416
EOS-3-08556,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cn5)n34)cn2)no1,UWMFUMXFLYHOSV-UHFFFAOYSA-N,3,1,0.321,86,812,436.439,3.007,6,0.41,0.74,1.0,0.10204920841614694,0.10633267082448085,0.08405866630114454,0.07157665684325955,0.09100430059625797
EOS-3-08557,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)c(F)c1,WXVJQAIGYXHXOB-UHFFFAOYSA-N,3,1,0.511,37,353,433.422,3.487,5,0.408,0.75,1.0,0.8008018641628402,0.7541378246864505,0.5763227331916935,0.5634038105681585,0.6736665581522856
EOS-3-08558,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1,GNPBKKVCOGRHGK-UHFFFAOYSA-N,3,1,0.786,91,499,418.848,3.246,5,0.451,0.81,1.0,0.9251165101775067,0.9432869577136591,0.5193612500856692,0.5730416009869097,0.7402015797409363
EOS-3-08559,Cn1c(-c2cncc(F)c2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,CFAGRCCMAOTWBX-UHFFFAOYSA-N,3,1,0.301,8,342,450.441,3.245,6,0.402,0.74,0.941,0.19494894112809266,0.26214789939003497,0.15252552943595368,0.2687615653485025,0.21959598382564594
EOS-3-08560,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)cn1,NKLFIIGRXDEGKF-UHFFFAOYSA-N,3,1,0.323,82,336,469.896,3.251,6,0.416,0.75,1.0,0.22539579192653006,0.23651566033856486,0.17792646151737374,0.31127921321362484,0.23777928174902335
EOS-3-08561,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(C(F)F)nc4F)n23)nc1,RPPJKPLTMZXNLX-UHFFFAOYSA-N,3,1,0.343,63,505,453.428,3.335,5,0.431,0.68,0.727,0.18962031389212528,0.277491261736687,0.3460866287437461,0.38779041875128506,0.30024715578096084
EOS-3-08562,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1,LXGQWNUWUOCGAK-UHFFFAOYSA-N,3,1,0.582,15,187,432.875,3.257,5,0.406,0.75,1.0,0.8530601055445137,0.7407562881228155,0.3766020149407169,0.40623500788157085,0.5941633541224043
EOS-3-08563,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5nnc(C)o5)c4)n23)cc1F,XTNBLEVGDLYMLW-UHFFFAOYSA-N,3,1,0.5,43,788,477.431,3.367,5,0.395,0.87,1.0,0.5828250291275444,0.40016962511137,0.5627270235076417,0.44130799808100885,0.49675741895689124
EOS-3-08564,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)c1,LGHOWYBXQBXSSP-UHFFFAOYSA-N,3,1,0.307,39,144,453.416,3.774,6,0.401,0.76,0.633,0.017802069769035707,0.132607429237201,0.43507127681447466,0.5855321773696114,0.2927532382975807
EOS-3-08565,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cn1,DBUZPCTWXYGBDY-UHFFFAOYSA-N,3,1,0.573,36,728,421.371,2.234,5,0.425,0.76,1.0,0.6547272291138373,0.629977383318484,0.380234391062984,0.4191796312795559,0.5210296586937153
EOS-3-08566,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)cn1,XHHDICCRNSMFNK-UHFFFAOYSA-N,3,1,0.446,7,535,444.39,1.25,5,0.404,0.71,1.0,0.5088924679597012,0.33749400315262834,0.10069563429511343,0.06971763415804264,0.2541999348913714
EOS-3-08567,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,SIZQKNCIAZTQRS-UHFFFAOYSA-N,3,1,0.345,64,144,447.462,3.505,6,0.395,0.77,0.829,0.03593824960592146,0.00855835789185114,0.18092488520320746,0.19273867452539237,0.1045400418065931
EOS-3-08568,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cn2)cn1,TXJLMKYWWSYGAU-UHFFFAOYSA-N,3,1,0.286,30,871,447.462,3.505,6,0.395,0.77,0.823,0.1094852991570146,0.11884894798163251,0.2579929408539511,0.22145500651086286,0.17694554862586526
EOS-3-08569,N#Cc1ncc(-c2cccc(COc3cncc4nnc(-c5cc(F)cc(F)c5)n34)c2)cn1,HVZZEKOBZMOCDW-UHFFFAOYSA-N,3,1,0.541,97,439,441.401,3.977,5,0.407,0.76,1.0,0.8294153930505106,0.827830511959427,0.8939500376944692,0.8780155575354671,0.8573028750599685
EOS-3-08570,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5C(C)CCC5C)cc4)n23)nc1,BOAHHQDWMIVIGD-UHFFFAOYSA-N,3,1,0.301,0,782,455.522,3.226,5,0.507,0.64,1.0,0.07423240353642656,0.01579740936193544,0.1007042012199301,0.06795284764580906,0.06467171544102529
EOS-3-08571,COc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)cn1,OTPTWVZGFKUDPR-UHFFFAOYSA-N,3,1,0.317,42,106,462.477,3.114,6,0.38,0.8,1.0,0.21419882119114522,0.10964807072853129,0.204895140840244,0.14201391268590227,0.16768898636145568
EOS-3-08572,COc1ccc(-c2nnc3cncc(Cc4nc(Cl)ccc4C(F)(F)F)n23)cn1,ONZHFNMHJSERMM-UHFFFAOYSA-N,3,1,0.378,68,455,420.782,3.853,4,0.467,0.81,1.0,0.5576040024672744,0.7034301966965938,0.9561716126379275,0.902414159413337,0.7799049928037831
EOS-3-08573,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccoc5)cnc4OC)n23)cn1,HDUVPZSGPPGTIX-UHFFFAOYSA-N,3,1,0.337,82,514,427.424,2.877,5,0.455,0.72,1.0,0.29842882598862314,0.09667774655609622,0.22226029744362963,0.12003118360633266,0.18434951339867042
EOS-3-08574,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)nc1,HTYAPPZPWVMZJB-UHFFFAOYSA-N,3,1,0.296,86,977,448.425,3.301,6,0.4,0.72,1.0,0.28468747858268795,0.342505654170379,0.20490370776506064,0.24779830032211636,0.269973785210061
EOS-3-08575,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2)ncn1,DOFNKTBCFZTKJF-UHFFFAOYSA-N,3,1,0.421,46,62,430.859,3.579,5,0.416,0.74,1.0,0.6576828181755877,0.5722877116030429,0.48106709615516413,0.45716537591666095,0.542050750462614
EOS-3-08576,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)nc2)s1,WQHFFKBDRDUBKM-UHFFFAOYSA-N,3,1,0.344,33,760,431.441,2.299,5,0.442,0.7,1.0,0.39375299842368583,0.17094441779178945,0.041027002947022134,0.01841888835583579,0.1560358268795833
EOS-3-08577,COc1ccccc1-c1nnc2cncc(OCc3cccc(-c4ncc(F)cn4)n3)n12,LLOCGPUWRKBLBH-UHFFFAOYSA-N,3,1,0.517,4,700,429.415,3.37,5,0.405,0.76,0.989,0.6517031046535535,0.5261633883901035,0.3802429579878007,0.29855732986087313,0.4641666952230826
EOS-3-08578,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(C(F)(F)F)c4)n23)cc1,OLXZLDBZZDPSTL-UHFFFAOYSA-N,3,1,0.444,66,264,411.387,3.761,4,0.555,0.83,1.0,0.5063566582139675,0.48075011993694744,0.9718662189020629,0.9136882324720719,0.7181653073812624
EOS-3-08579,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)cc6)n5)n34)cc2)nn1,TWXBBZIYLVXGKX-UHFFFAOYSA-N,3,1,0.337,3,158,450.441,3.339,6,0.402,0.74,1.0,0.0260006168185868,0.23164964704269755,0.2688986361455692,0.33946439586046195,0.21650332396682886
EOS-3-08580,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)cn1,QBIHXTNQCKOCTH-UHFFFAOYSA-N,3,1,0.311,82,974,424.428,1.926,6,0.436,0.77,0.999,0.16163217051607154,0.08062332944966075,0.02490405044205332,0.0362466588993215,0.07585155232677677
EOS-3-08581,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncn4)n23)cc1,DUXVTIPONPPNMF-UHFFFAOYSA-N,3,1,0.541,34,32,434.822,3.41,5,0.414,0.7,1.0,0.8642485093550819,0.9250993763278733,0.5564389006922075,0.6159361935439654,0.740430744979782
EOS-3-08582,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)nn1,WGNPLBIOGGJWIU-UHFFFAOYSA-N,3,1,0.582,34,946,434.822,3.41,5,0.414,0.7,1.0,0.9198392844904393,0.960026728805428,0.5294102528956206,0.5918031663354122,0.750269858131725
EOS-3-08583,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)nn1,JRPZHTJFOHJZJC-UHFFFAOYSA-N,3,1,0.541,34,32,434.822,3.41,5,0.414,0.7,1.0,0.8685405386882324,0.95009766294291,0.5627355904324584,0.6189431841546159,0.7500792440545542
EOS-3-08584,Cn1ccc(-c2nc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cnc2F)n1,ZFZXEVTUBXSZIN-UHFFFAOYSA-N,3,1,0.402,85,357,429.419,1.811,5,0.451,0.65,0.999,0.1508721129463368,0.16303714618600507,0.13109965046946748,0.09760297443629634,0.13565297100952642
EOS-3-08585,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cn2)ccn1,MPGBSHGPDSMRHG-UHFFFAOYSA-N,3,1,0.28,10,871,431.463,3.804,6,0.418,0.74,0.708,0.020689123432252758,0.03377938455212117,0.280275512302104,0.2894935234048386,0.15605938592282914
EOS-3-08586,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)nn1C,WUXNXYJUXBFTGF-UHFFFAOYSA-N,3,1,0.324,33,53,467.493,2.975,6,0.404,0.77,0.993,0.20327599204989377,0.1326159961620177,0.04739222808580632,0.03855116167500514,0.10545884449318074
EOS-3-08587,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c1,NYFZXAQBIDWLBF-UHFFFAOYSA-N,3,1,0.267,42,369,432.451,3.106,6,0.418,0.72,1.0,0.07240764855047632,0.02314783085463642,0.1809334521280241,0.19512027962442602,0.11790230278939072
EOS-3-08588,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nn2)cn1,MGWFVGMCXHNGQK-UHFFFAOYSA-N,3,1,0.518,36,391,437.826,2.748,5,0.413,0.71,1.0,0.6283411006785005,0.8164022342539922,0.40919916386813787,0.4665718593653622,0.5801285895414982
EOS-3-08589,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccoc5)n4)n23)cc1,KBVUQEJYJQPZCJ-UHFFFAOYSA-N,3,1,0.511,89,731,458.453,3.725,5,0.378,0.8,1.0,0.3959032965526695,0.1436330614762525,0.3912685902268522,0.27766260023302036,0.30211688712219864
EOS-3-08590,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nccn5C)ncc4F)n23)cc1,ZLERKVACXXOXLB-UHFFFAOYSA-N,3,1,0.484,89,731,458.457,2.665,5,0.416,0.72,1.0,0.6854567884312247,0.36663011445411553,0.3686690425604825,0.227357617709547,0.41202839078884246
EOS-3-08591,CCn1cc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(-c2ccc(C)c(F)c2)n1,WYESNMYGOYWRDQ-UHFFFAOYSA-N,3,1,0.392,62,124,441.47,3.888,5,0.446,0.74,1.0,0.13411520800493454,0.2316582139675142,0.49806387499143306,0.41601843602220545,0.31996393324652184
EOS-3-08592,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(C)cn5)s4)n23)cc1,PJKYAGUJSPBLBR-UHFFFAOYSA-N,3,1,0.558,89,731,458.507,2.952,5,0.412,0.75,1.0,0.42718970598314027,0.21139743677609485,0.10333424713864711,0.0422606401206223,0.19604550750462613
EOS-3-08593,Fc1cccc(-c2ncnc(-c3cncc4nnc(-c5ccncc5-c5ccncc5)n34)n2)c1,PKEGGDZPDBBAKF-UHFFFAOYSA-N,3,1,0.395,42,136,447.437,3.906,6,0.4,0.76,1.0,0.24438009732026592,0.35726646562949765,0.4845195668562813,0.5503306832979233,0.4091242032759921
EOS-3-08594,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1,YTTHWISWFMPAOR-UHFFFAOYSA-N,3,1,0.35,3,289,437.442,3.579,6,0.419,0.72,1.0,0.050767596463573435,0.17975121650332396,0.420079158385306,0.4571739428414776,0.27694297854842026
EOS-3-08595,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,VRBWRAUCOKOYSD-UHFFFAOYSA-N,3,1,0.321,86,219,451.429,2.64,6,0.398,0.72,1.0,0.21172297991912822,0.31862106778150917,0.24732711945719965,0.3016328558700569,0.26982600575697346
EOS-3-08596,Cn1c(-c2ccccc2F)nnc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cn3)n12,GVHVWODSMOZHBQ-UHFFFAOYSA-N,3,1,0.362,8,934,450.441,3.245,6,0.402,0.76,0.997,0.08489822493317799,0.2520217942567336,0.22943938043999726,0.33307346994722775,0.22485821739428416
EOS-3-08597,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)ncn2)nn1,GXRRKXOZAXNSCV-UHFFFAOYSA-N,3,1,0.286,76,368,433.439,2.501,6,0.412,0.72,1.0,0.029538756767870607,0.025503735179220065,0.12290967034473306,0.13080837502570078,0.07719013432938113
EOS-3-08598,N#Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c(F)c2)ncn1,LKNGWXRXBMEKSH-UHFFFAOYSA-N,3,1,0.356,96,648,454.4,3.164,5,0.44,0.66,1.0,0.34808272222602976,0.3186296347063258,0.8317455966006443,0.7989171407031732,0.5743437735590433
EOS-3-08599,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnnn5C)n4)n23)cc1,AVTKEQZAFNMIFI-UHFFFAOYSA-N,3,1,0.459,89,398,455.482,2.31,5,0.396,0.72,0.998,0.2501113700226167,0.09967617024192996,0.09820265917346309,0.04226920704543897,0.12256485162086217
EOS-3-08600,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)cc1,XGBHYIWPLZJODF-UHFFFAOYSA-N,3,1,0.321,67,973,455.873,2.883,6,0.398,0.73,1.0,0.07627989856761017,0.2469930093893496,0.10590432458364746,0.21853368514837915,0.1619277294222466
EOS-3-08601,Cn1cc(-c2cccc(F)c2)c(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1,SDQXGJFJJOBUER-UHFFFAOYSA-N,3,1,0.33,10,154,438.43,3.178,6,0.449,0.72,0.994,0.14773661846343636,0.29334007264752243,0.3351637996024947,0.3877989856761017,0.2910098690973888
EOS-3-08602,Cc1ncccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cn4)n23)n1C,OUZXNLHQXUJGDI-UHFFFAOYSA-N,3,1,0.29,99,754,450.47,2.148,6,0.396,0.72,0.946,0.055727845932424094,0.01889006922075252,0.015291960797752038,0.014401000616818586,0.02607771914193681
EOS-3-08603,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cc4)n23)nc1,LDFRVPGCSRYNKW-UHFFFAOYSA-N,3,1,0.318,62,376,446.514,4.675,6,0.401,0.86,1.0,0.08996127749982866,0.03378795147693784,0.07714515797409362,0.21305085326571174,0.10348631005414297
EOS-3-08604,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)nc2)nc1,NVKVIPCZEDJYOE-UHFFFAOYSA-N,3,1,0.304,30,541,447.437,3.906,6,0.4,0.78,0.998,0.2846960455075046,0.2933486395723391,0.36125008566924816,0.43191864848194095,0.34280335480775825
EOS-3-08605,Cc1nnc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)o1,IAZORKOQKNQODR-UHFFFAOYSA-N,3,1,0.299,25,508,437.427,2.402,6,0.404,0.71,1.0,0.06842402851072579,0.07710232335001029,0.03287985744637105,0.038559728599821805,0.054241484476732243
EOS-3-08606,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)s4)n23)cc1,JTTVMACIYKDIOV-UHFFFAOYSA-N,3,1,0.523,89,770,458.507,3.034,5,0.395,0.78,1.0,0.48891439928723185,0.24700157631416628,0.06036255225824138,0.02627475841272017,0.20563832156808992
EOS-3-08607,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)nn2)cn1,JGKQOENTENLPKD-UHFFFAOYSA-N,3,1,0.321,39,972,450.441,3.245,6,0.402,0.72,0.996,0.12570248783496676,0.18380337194160784,0.28769446919333835,0.355270372147214,0.23811767527928177
EOS-3-08608,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cc1,RGWRSAOQAKHWSY-UHFFFAOYSA-N,3,1,0.329,98,42,450.441,3.245,6,0.402,0.72,1.0,0.2577445000342677,0.26727948735521895,0.3056421766842574,0.3143461722979919,0.286253084092934
EOS-3-08609,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccnnc4-c4cccc(F)c4)n23)cc1,ZVVZDOQIDSADBG-UHFFFAOYSA-N,3,1,0.357,25,791,450.441,3.245,6,0.402,0.72,1.0,0.2308357891851141,0.3186382016311425,0.31294976355287507,0.4255020217942567,0.3219814440408471
EOS-3-08610,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)nn1,DIOGRWGAVDHRGB-UHFFFAOYSA-N,3,1,0.511,75,132,430.859,3.313,5,0.404,0.74,1.0,0.6610838873278048,0.7453395928997327,0.3168477143444589,0.36856623946268247,0.5229593585086697
EOS-3-08611,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc[nH]5)nc4)n23)cc1F,BHAXMLMYMKMNGZ-UHFFFAOYSA-N,3,1,0.31,98,882,439.418,2.573,6,0.444,0.67,0.98,0.20328455897471043,0.26728805428003566,0.27658316770612024,0.30164142279487355,0.26219930093893495
EOS-3-08612,COc1ncccc1-c1nncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,JMBHRNYNGJYUMG-UHFFFAOYSA-N,3,1,0.324,52,295,465.477,2.606,6,0.402,0.74,1.0,0.22540435885134671,0.06641936810362552,0.047400795010622984,0.04890000685353985,0.09703113220478377
EOS-3-08613,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c(Cl)n1,WIHCBQVPYZGDRJ-UHFFFAOYSA-N,3,1,0.341,74,768,448.849,3.145,5,0.422,0.7,0.998,0.29568741004728943,0.28796004386265506,0.562744157357275,0.5570814200534576,0.42586825783016924
EOS-3-08614,Cn1cc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)nc4)n23)n1,MYHJKPQBBZEOSA-UHFFFAOYSA-N,3,1,0.303,98,219,453.445,2.583,6,0.4,0.72,0.999,0.06107360701802481,0.17975978342814064,0.12818689603180042,0.18984305393735865,0.13971583510383112
EOS-3-08615,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)c(F)c5)cc4F)n23)cn1,TUIMZGORSAHHDM-UHFFFAOYSA-N,3,1,0.439,96,504,460.419,4.831,5,0.415,0.87,1.0,0.3034147762319238,0.4276694537728737,0.9236172983345898,0.8933760537317524,0.637019395517785
EOS-3-08616,Cc1ncc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cc4)n23)c(-c2cccs2)n1,BXDMPVDCQCSUNM-UHFFFAOYSA-N,3,1,0.318,52,376,453.531,4.131,6,0.406,0.81,0.999,0.1202367898019327,0.10312007401823041,0.007950106229867727,0.027311356315536973,0.06465458159139195
EOS-3-08617,NC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)s4)n23)cn1,ZXDXCSRBCDVMED-UHFFFAOYSA-N,3,1,0.379,96,140,418.417,2.61,5,0.475,0.75,0.994,0.08277362757864437,0.1797683503529573,0.11716126379274895,0.160098690973888,0.13495048317455965
EOS-3-08618,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nccs5)cn4)n23)cc1F,QMUVKBHTOXMJAI-UHFFFAOYSA-N,3,1,0.375,52,916,471.521,3.932,6,0.403,0.82,1.0,0.15626070865602085,0.1970992392570763,0.20491227468987733,0.277671167157837,0.20898584744020285
EOS-3-08620,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccc2F)no1,AOIWVIRHBQAWFU-UHFFFAOYSA-N,3,1,0.527,89,731,446.402,2.362,5,0.415,0.73,1.0,0.544873552189706,0.39033479542183536,0.1404033308203687,0.0936793228702625,0.29232275032554317
EOS-3-08621,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)nc5)ncn4)n23)nc1,UXKKEQTVDZZEPG-UHFFFAOYSA-N,3,1,0.373,33,53,454.454,1.68,5,0.402,0.7,0.935,0.34573538482626276,0.10634123774929752,0.08885614419847851,0.02827085189500377,0.14230090466726064
EOS-3-08622,CCCc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,MLBKLDJHKBNANZ-UHFFFAOYSA-N,3,1,0.374,0,862,415.472,4.442,5,0.505,0.89,1.0,0.3289613460352272,0.282699952025221,0.42408847919950654,0.4817781509149476,0.37938198204372553
EOS-3-08623,NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(C(F)F)n1,XEWYLQPLMCPFKT-UHFFFAOYSA-N,3,1,0.336,96,246,432.394,3.076,5,0.456,0.7,0.975,0.020697690357069427,0.09968473716674663,0.4350798437392913,0.38780755260091837,0.23581745596600645
EOS-3-08624,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5F)n4)n23)cc1,IMCUXOIWVJGUNX-UHFFFAOYSA-N,3,1,0.333,67,973,456.42,3.113,6,0.401,0.72,1.0,0.03594681653073813,0.2316667808923309,0.41261736686998834,0.48488794462339796,0.2912797272291138
EOS-3-08625,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(C(F)(F)F)cn5)n34)cc2)nn1,TWPVJUHPXSVMHO-UHFFFAOYSA-N,3,1,0.342,22,121,438.348,3.863,5,0.395,0.77,0.919,0.36396580083613184,0.49903193749571656,0.9438266739771092,0.911700705914605,0.6796312795558905
EOS-3-08626,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cnnn5)nc4)n23)cc1Cl,YUVBCKBJNNURND-UHFFFAOYSA-N,3,1,0.573,36,391,440.254,3.048,5,0.41,0.75,1.0,0.49626482077993284,0.6985898841751764,0.5594630251524912,0.6508635460215201,0.6012953190322802
EOS-3-08627,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)nc1,VFJUTYNHBRMLMV-UHFFFAOYSA-N,3,1,0.396,31,779,433.863,2.652,5,0.402,0.73,1.0,0.5188729353711192,0.5169282434377356,0.13730210403673498,0.1678174902337057,0.3352301932698239
EOS-3-08628,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)cc1F,SMOQOJCCLLNYTG-UHFFFAOYSA-N,3,1,0.453,7,788,447.39,1.709,5,0.408,0.7,1.0,0.49367760948529915,0.3279761496813104,0.16494757042012198,0.10824309505859776,0.2737111061613323
EOS-3-08629,Cc1cc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)ncn1,UJNPQFDZFABSKV-UHFFFAOYSA-N,3,1,0.243,39,195,432.451,3.199,6,0.417,0.73,0.389,0.0030241244602837365,0.004146391611267219,0.1432818175587691,0.17055033925022273,0.08025066822013568
EOS-3-08630,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5(F)CC5)cc4)n23)nc1,IAEVVCWFFYHFMU-UHFFFAOYSA-N,3,1,0.318,74,453,456.445,2.233,6,0.399,0.69,1.0,0.1562692755808375,0.14364162840106914,0.04400829278322253,0.07556884380782675,0.10487201014323899
EOS-3-08631,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cnc(-c4cccc(F)n4)cn3)n12,CASUCKQPPUALDX-UHFFFAOYSA-N,3,1,0.343,74,155,426.415,2.857,5,0.438,0.71,1.0,0.1865019532588582,0.20640291960797752,0.36867760948529915,0.3112877801384415,0.2682175656226441
EOS-3-08633,CCn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccn(C)n6)cn5)n34)cn2)cn1,TYQZRSOCTNRBFM-UHFFFAOYSA-N,3,1,0.236,99,450,437.471,2.656,6,0.408,0.71,1.0,0.0024929751216503323,0.005508532657117401,0.12546261394010005,0.08974710437941197,0.05580280652456994
EOS-3-08634,Cn1ncc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4nn[nH]n4)cc3F)n12,TZVNNAGTVNGXEA-UHFFFAOYSA-N,3,1,0.287,25,774,438.43,3.178,6,0.449,0.68,1.0,0.09947913097114659,0.1838119388664245,0.34609519566856284,0.4413165650058255,0.26767570762798987
EOS-3-08635,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5nnc(C)o5)n4)n23)cn1,ZMPRFPMKRSXCLS-UHFFFAOYSA-N,3,1,0.394,92,185,444.415,1.273,5,0.402,0.73,1.0,0.3686090740867658,0.15538688232472073,0.012327804811184976,0.002724282091700363,0.134762010828593
EOS-3-08636,Cc1ccc(-n2cnc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)n2)cc1,LSEPULQFVDWNOV-UHFFFAOYSA-N,3,1,0.29,10,748,450.441,3.339,6,0.402,0.72,0.872,0.006630799808100884,0.11273216366253169,0.22944794736481391,0.3330820368720444,0.17047323692687272
EOS-3-08637,Cc1ccc(-c2nnc3cncc(-c4cnn(-c5ccncc5)c4)n23)c(-c2ncc(F)cn2)n1,QSSKPALCXFIUAY-UHFFFAOYSA-N,3,1,0.29,86,151,450.441,3.339,6,0.402,0.72,1.0,0.011119868412034816,0.12592522788020014,0.26518059077513534,0.28051538619697075,0.17068526831608527
EOS-3-08638,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnnn6C)nc5)n34)cn2)cn1,JDKDLQASHMHFJO-UHFFFAOYSA-N,3,1,0.275,99,286,425.42,0.963,6,0.404,0.75,1.0,0.0041121239120005485,0.021014666575286136,0.02713145089438695,0.022933657734219723,0.01879797477897334
EOS-3-08639,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1,BXDMIBBBISFQAY-UHFFFAOYSA-N,3,1,0.521,61,121,437.385,4.152,5,0.42,0.81,1.0,0.43611644164210817,0.530583921595504,0.9444092248646426,0.897436776094853,0.702136591049277
EOS-3-08640,CONC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4Cl)n23)nc1,RJIGLHDBGJPDET-UHFFFAOYSA-N,3,1,0.311,82,100,458.869,3.255,5,0.398,0.77,0.767,0.30342334315674047,0.24188712219861558,0.5496367623877733,0.5001542046467,0.3987753580974573
EOS-3-08641,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nccc(-c5cccnn5)n4)n23)cc1,NLNLKANJYDXOOD-UHFFFAOYSA-N,3,1,0.294,39,449,448.425,3.301,6,0.4,0.73,0.771,0.2847046124323213,0.2982746213419231,0.2119457199643616,0.3081351518059077,0.27576502638612843
EOS-3-08642,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)s4)n23)c(F)c1,XGFQJUZGPJXIFT-UHFFFAOYSA-N,3,1,0.38,85,60,446.471,2.794,5,0.442,0.65,1.0,0.19780172709204305,0.25203036118155026,0.287703036118155,0.23913713933246522,0.2441680659310534
EOS-3-08643,Fc1cccc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)c1,JYJYJJOZZLLOBE-UHFFFAOYSA-N,3,1,0.453,2,969,433.834,4.015,5,0.413,0.77,1.0,0.682329860873141,0.7453481598245494,0.6797683503529574,0.7532725652799671,0.7151797340826538
EOS-3-08644,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)cc4F)n23)cn1,RJNALFYVTYKIEU-UHFFFAOYSA-N,3,1,0.605,72,214,433.472,4.04,5,0.413,0.81,1.0,0.654735796038654,0.6209392776368995,0.39873038174216985,0.33309060379686106,0.501874014803646
EOS-3-08645,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,HRRBDSUZVMLWRL-UHFFFAOYSA-N,3,1,0.322,9,498,436.414,3.235,6,0.447,0.68,1.0,0.2254129257761634,0.30823795490370776,0.3461037625933795,0.45718250976629426,0.3342342882598862
EOS-3-08646,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccncc4-c4cccc(F)c4)n23)c1,UGMUOALOSASRIZ-UHFFFAOYSA-N,3,1,0.365,25,791,449.453,3.85,6,0.403,0.76,1.0,0.18962888081694196,0.23652422726338154,0.4881091083544651,0.591811733260229,0.3765184874237544
EOS-3-08647,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5conn5)cn4)n23)cc1,YXFWZBZIVOKGCO-UHFFFAOYSA-N,3,1,0.418,14,357,430.403,2.326,5,0.451,0.64,1.0,0.23918854088136524,0.21622061544787882,0.33144575423206085,0.2568021383044342,0.26091426221643477
EOS-3-08648,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cn(C)nc5C)n4)n23)cc1,QHJTXIBRKDWCST-UHFFFAOYSA-N,3,1,0.452,89,408,455.482,2.229,5,0.413,0.71,1.0,0.2685216914536358,0.12930059625796725,0.12291823726954972,0.04480501679117264,0.14138638544308135
EOS-3-08649,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nc2)cn1,SYPVEVXTFUTWPQ-UHFFFAOYSA-N,3,1,0.47,97,959,433.834,4.015,5,0.386,0.82,1.0,0.8271622918237269,0.7313583715989308,0.7882598862312384,0.789870468096772,0.7841627544376671
EOS-3-08650,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6ccnn6)cc5)n34)cn2)n(C)n1,MTBNFDJGEWTTHU-UHFFFAOYSA-N,3,1,0.284,98,727,434.467,3.143,6,0.42,0.73,1.0,0.01872729764923583,0.025512302104036735,0.24378897950791584,0.2159122061544788,0.1259851963539168
EOS-3-08651,Cc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)n(C)n1,ZPEBXILFRGLKBV-UHFFFAOYSA-N,3,1,0.505,89,926,441.455,1.968,5,0.422,0.71,1.0,0.3457439517510794,0.12227571790829964,0.08145432115687752,0.03202316496470427,0.1453742889452402
EOS-3-08652,COc1ncc(F)cc1-c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ncn1,IZNQVOVIJAQQCX-UHFFFAOYSA-N,3,1,0.404,14,357,456.441,2.481,5,0.412,0.7,1.0,0.4294685079843739,0.3233243095058598,0.32405249811527653,0.2040384483585772,0.32022094099102183
EOS-3-08653,FC(F)(F)c1cc(Cc2cncc3nnc(-c4ncccn4)n23)nc(C(F)(F)F)n1,OQLINYWDBUIFOZ-UHFFFAOYSA-N,3,1,0.289,68,455,426.284,3.0,4,0.465,0.66,0.851,0.34110067850044545,0.31337810979370845,0.9319100815571243,0.7733962716743198,0.5899462853813995
EOS-3-08654,N#Cc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4Cl)n23)ccc1Cl,AXRGRPBEEFTIJO-UHFFFAOYSA-N,3,1,0.564,90,555,431.67,4.597,4,0.469,0.78,1.0,0.9143221849085053,0.9391662668768419,0.9698101569460627,0.9836200397505311,0.9517296621204852
EOS-3-08655,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)nc1,HYCDJNSBJHVODE-UHFFFAOYSA-N,3,1,0.292,61,917,412.417,1.403,5,0.469,0.86,1.0,0.07628846549242684,0.054648413405523955,0.04904564457542321,0.03319683366458776,0.05329483928449044
EOS-3-08656,COc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ncccn4)cn3)n12,CZNOTLMZQNYCIX-UHFFFAOYSA-N,3,1,0.44,46,242,445.87,3.884,5,0.388,0.8,1.0,0.7668597080392022,0.6593362346652045,0.5496453293125899,0.4785826879583305,0.6136059899938319
EOS-3-08657,Cc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5(C)CC5)c(F)c4)n23)cn1,OHOQCOFPEQQMJC-UHFFFAOYSA-N,3,1,0.394,63,364,417.448,2.902,5,0.536,0.74,1.0,0.23646425878966487,0.2162291823726955,0.10334281406346378,0.15199438009732028,0.1770076588307861
EOS-3-08658,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(Cl)c2)cn1,ZYPPUDAKQVWPFS-UHFFFAOYSA-N,3,1,0.366,62,341,469.936,4.404,6,0.412,0.85,1.0,0.16692653005277225,0.24189568912343226,0.4945171681173326,0.5730501679117264,0.3690973888013159
EOS-3-08659,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)nn2)cc1,BRSHGDQRZZNRCD-UHFFFAOYSA-N,3,1,0.3,30,498,429.447,3.767,6,0.417,0.76,1.0,0.10705229250908094,0.062512850387225,0.3987389486669865,0.4665804262901789,0.25872112946336784
EOS-3-08660,COc1cc(-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)ccc1OC(F)F,OYIHKMQMHGFYBX-UHFFFAOYSA-N,3,1,0.415,82,121,437.366,3.513,5,0.394,0.79,1.0,0.6610924542526215,0.5397333972997053,0.7397796586937153,0.6005671304228634,0.6352931601672264
EOS-3-08661,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)c5)cn4)n23)nc1,RUWLYHBJFBLADJ-UHFFFAOYSA-N,3,1,0.402,51,969,430.859,3.579,5,0.416,0.75,1.0,0.5632496059214585,0.5925656226440956,0.37661058186553353,0.3969227606058529,0.4823371427592351
EOS-3-08662,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnccn6)nn5)n34)cn2)c1,DGEPZAGHDSCRPW-UHFFFAOYSA-N,3,1,0.353,10,705,436.414,3.03,6,0.414,0.72,0.999,0.002707148242067028,0.1222842848331163,0.3612586525940648,0.4478359947913097,0.23352152011513946
EOS-3-08663,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)n1C,LJTHMWVIQFBVON-UHFFFAOYSA-N,3,1,0.714,91,742,429.459,3.656,5,0.41,0.79,1.0,0.6060585292303474,0.5925741895689124,0.3539767664998972,0.36548214652868205,0.47952290795695973
EOS-3-08664,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5cocn5)ccn4)n23)cn1,JWTZGMHQQAGJNI-UHFFFAOYSA-N,3,1,0.484,89,205,454.45,2.708,6,0.394,0.76,1.0,0.32638270166541017,0.13619697073538484,0.07056575971489275,0.07557741073264342,0.1521807107120828
EOS-3-08665,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4)n23)nc1,XEBRTCFYBWBWQE-UHFFFAOYSA-N,3,1,0.349,10,654,451.429,2.64,6,0.398,0.69,1.0,0.18651052018367487,0.25682783907888423,0.10867144129943115,0.19512884654924267,0.18678466177780823
EOS-3-08666,Cn1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,YTSALBCJKKYPAL-UHFFFAOYSA-N,3,1,0.54,36,926,428.416,1.055,5,0.418,0.73,1.0,0.39591186347748614,0.13262456308683435,0.06241004728942499,0.029144678226303886,0.15502278802001232
EOS-3-08667,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nn1C,DZSZGMMJELKWKH-UHFFFAOYSA-N,3,1,0.329,30,945,433.479,3.654,6,0.421,0.75,1.0,0.07841306284696045,0.04350284421903913,0.2012456308683435,0.22418785552737988,0.13683734836543074
EOS-3-08668,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)n1,MYCCJHLPTIQYDU-UHFFFAOYSA-N,3,1,0.3,38,193,432.451,3.106,6,0.418,0.73,1.0,0.07424097046124323,0.06642793502844219,0.13110821739428416,0.1705589061750394,0.11058400726475226
EOS-3-08669,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cc2)n1,JMMHUCXZAGMKBM-UHFFFAOYSA-N,3,1,0.301,42,725,432.451,3.106,6,0.418,0.73,1.0,0.08996984442464533,0.08735693235556165,0.31685628126927556,0.2835480775820711,0.19443278390788843
EOS-3-08670,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cc1,YZIFRQSLPKTPHO-UHFFFAOYSA-N,3,1,0.357,67,642,432.451,3.106,6,0.418,0.73,1.0,0.15627784250565416,0.039990405044205334,0.16495613734493866,0.22736618463436364,0.14714764238229044
EOS-3-08671,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)n1,QIOJROYWUXWBDM-UHFFFAOYSA-N,3,1,0.286,76,387,433.439,2.501,6,0.412,0.7,1.0,0.08278219450346104,0.0210232335001028,0.062418614214241656,0.06972620108285929,0.0589875608251662
EOS-3-08672,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)c(F)c4)n23)cc1,AXYPZXYNSMHNQI-UHFFFAOYSA-N,3,1,0.404,62,3,414.4,3.612,5,0.482,0.85,1.0,0.3755825508875334,0.32798471660612705,0.7011856623946269,0.6068381193886643,0.5028977623192379
EOS-3-08673,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncn4)n23)nc1,VOGRARQWVJBHGD-UHFFFAOYSA-N,3,1,0.376,33,53,458.417,1.511,5,0.397,0.69,0.955,0.44540298814337603,0.2568364060037009,0.09821122609827976,0.054057295593173876,0.21362697895963265
EOS-3-08674,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4nnnn4C)n23)cc1,VGYIBCHSJIHKFM-UHFFFAOYSA-N,3,1,0.296,25,866,437.431,1.234,6,0.395,0.7,1.0,0.0762970324172435,0.06990610650400932,0.010700089096018094,0.014409567541635254,0.04282819888972654
EOS-3-08675,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1F,RGBKZXYTFKPORP-UHFFFAOYSA-N,3,1,0.302,3,158,453.416,3.774,6,0.401,0.75,1.0,0.07042868891782605,0.2933572064971558,0.5050116510177507,0.6218388047426496,0.37265908779384554
EOS-3-08677,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3cnc(-c4ccccc4)nc3)n12,HCDBXNQUVHLXEZ-UHFFFAOYSA-N,3,1,0.373,30,553,431.463,3.711,6,0.419,0.76,1.0,0.061082173942841475,0.07370125419779316,0.10335138098828045,0.16010725789870467,0.09956051675690494
EOS-3-08678,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,GMBUYXJXIDZNRZ-UHFFFAOYSA-N,3,1,0.303,38,193,431.463,3.711,6,0.419,0.76,1.0,0.10205777534096361,0.0435114111438558,0.2509252278802001,0.2895020903296553,0.1714991261736687
EOS-3-08679,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccncn5)ncn4)n23)nc1,UYZNDEWPIISBOQ-UHFFFAOYSA-N,3,1,0.421,33,53,440.427,1.372,5,0.411,0.68,0.999,0.37798985676101704,0.1259337948050168,0.08638030292646151,0.0352357617709547,0.1563849290658625
EOS-3-08680,NC(=O)c1ccc(-c2nnc3cncc(OCc4scnc4-c4ccncc4)n23)cc1,YWPHGYBXSRFVJU-UHFFFAOYSA-N,3,1,0.518,89,731,429.465,2.988,5,0.44,0.74,1.0,0.45713967514221093,0.20641148653279418,0.2366098965115482,0.16011582482352135,0.26506922075251865
EOS-3-08681,NC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)ns4)n23)cc1,PPWPQAJWVGMSCO-UHFFFAOYSA-N,3,1,0.524,1,347,429.465,2.988,5,0.44,0.74,1.0,0.41318278390788843,0.2672966212048523,0.11400006853539853,0.09173463093687889,0.22155352614625456
EOS-3-08682,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)c1,WZBLCUZUSKZJPA-UHFFFAOYSA-N,3,1,0.411,46,160,433.834,4.015,5,0.413,0.75,1.0,0.60006168185868,0.6253512439174834,0.6254454800904667,0.7111061613323282,0.6404911417997396
EOS-3-08683,Cc1nc(-c2ccnc(Cl)c2)nc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)n1,ZEGVIMUGQHTMNU-UHFFFAOYSA-N,3,1,0.308,50,432,444.846,2.161,5,0.411,0.69,0.958,0.18098485367692413,0.17977691727777398,0.06037111918305805,0.06465458159139195,0.12144686793228701
EOS-3-08684,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)cn2)n1,VMXMEIKRHGJICX-UHFFFAOYSA-N,3,1,0.31,39,972,451.429,2.64,6,0.398,0.73,1.0,0.13689945857035157,0.20642005345761086,0.1140086354602152,0.1898516208621753,0.16179494208758824
EOS-3-08685,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cncc(CO)c5)c4)n23)cc1,IRNHITDKCQMQJL-UHFFFAOYSA-N,3,1,0.336,62,3,454.465,3.511,5,0.421,0.76,1.0,0.3085463641971078,0.29336577342197245,0.8071585223768076,0.7111147282571448,0.5300463470632581
EOS-3-08686,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c1,JVHYITJJSXPABJ-UHFFFAOYSA-N,3,1,0.552,15,619,431.887,3.862,5,0.406,0.8,1.0,0.7189106298403125,0.6837177026934411,0.5791755191556439,0.5761942293194435,0.6394995202522102
EOS-3-08687,Fc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,IUSMBCHTUXEDCC-UHFFFAOYSA-N,3,1,0.34,10,871,435.426,3.635,6,0.417,0.72,0.777,0.040375916660955385,0.2064286203824275,0.4164467822630389,0.49381468028236586,0.2892664998971969
EOS-3-08688,Cn1ncnc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,IAFMOSOPOCAUBC-UHFFFAOYSA-N,3,1,0.542,4,32,436.838,3.353,5,0.417,0.74,1.0,0.6854653553560414,0.8487680762113632,0.3802515249126174,0.47279144678226304,0.5968191008155712
EOS-3-08690,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cn1,VIRUBHHQLUBQPT-UHFFFAOYSA-N,3,1,0.299,30,945,431.463,3.711,6,0.419,0.74,1.0,0.054023027893907206,0.04351997806867247,0.2984802275375231,0.3143547392228086,0.17759449318072784
EOS-3-08691,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,YHQUONISHWDLIZ-UHFFFAOYSA-N,3,1,0.329,9,98,431.463,3.711,6,0.419,0.74,1.0,0.1809934206017408,0.030601055445137415,0.4773747515591803,0.457191076691111,0.2865400760742924
EOS-3-08692,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc(C#N)ccn5)cc4)n23)cc1,NWENHUAEYVUDEQ-UHFFFAOYSA-N,3,1,0.346,25,508,456.473,3.582,6,0.394,0.76,1.0,0.17799499691590706,0.1669693646768556,0.49452573504214925,0.5305924885203207,0.3425206462888082
EOS-3-08693,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnn5)ncn4)n23)c(Cl)c1,DDVFGAGIIOVPHS-UHFFFAOYSA-N,3,1,0.362,85,60,444.846,1.776,5,0.427,0.63,1.0,0.13940956754163525,0.2019395517784936,0.18430882050579125,0.20404701528339386,0.1824262387773285
EOS-3-08694,OCc1cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc(Cl)c1F,YNWYPJVSFAZZAO-UHFFFAOYSA-N,3,1,0.625,23,86,434.805,3.976,4,0.497,0.69,1.0,0.9781886094167638,0.9680111027345624,0.9835772051264479,0.9836286066753478,0.9783513809882805
EOS-3-08695,OCc1ccc(-c2nnc3cncc(Cc4ccc(-c5cncc(F)c5)cn4)n23)cc1F,WJPUWLOBTMVZEL-UHFFFAOYSA-N,3,1,0.354,14,81,430.418,3.61,5,0.458,0.69,1.0,0.4863785895414982,0.508018641628401,0.8902148584744021,0.8837296963881845,0.6920854465081214
EOS-3-08696,Cn1ccnc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,GKACZLMEMKGVLT-UHFFFAOYSA-N,3,1,0.41,33,53,467.493,2.453,6,0.387,0.8,0.999,0.2526471797683503,0.09668631348091289,0.05278939072030704,0.04890857377835652,0.11275786443698169
EOS-3-08697,NC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4OCc4cccc(F)c4F)n23)cc1,HYQZJYKOLGNNRQ-UHFFFAOYSA-N,3,1,0.42,62,837,459.416,3.204,5,0.414,0.75,0.999,0.5632581728462751,0.4047786306627373,0.6494585703515866,0.5666678089233089,0.546040795695977
EOS-3-08698,Cn1cncc1-n1cc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)cn1,NFGJRRZRNHKKTM-UHFFFAOYSA-N,3,1,0.29,99,356,439.418,2.369,6,0.411,0.7,0.993,0.001070865602083476,0.07711089027482695,0.1779350284421904,0.2597320265917346,0.12896220272770886
EOS-3-08699,FC1(F)CN(c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)C1,KBMZWBJUNWESCW-UHFFFAOYSA-N,3,1,0.314,61,336,443.421,3.161,6,0.418,0.72,1.0,0.10949386608183126,0.12229285175793297,0.39502947022136936,0.4602409019258447,0.27176427249674456
EOS-3-08700,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cc4)n23)c(F)c1,YXGNYJYUKHYMIA-UHFFFAOYSA-N,3,1,0.378,96,558,446.392,4.037,5,0.42,0.76,1.0,0.3263912685902269,0.42767802069769034,0.9253306832979233,0.9136967993968885,0.6482741929956823
EOS-3-08701,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)nc2)nc1,ITQYCIRMVBBDGD-UHFFFAOYSA-N,3,1,0.449,73,665,451.824,4.154,5,0.396,0.81,1.0,0.8937358645740525,0.854782057432664,0.815348502501542,0.8361575628812281,0.8500059968473717
EOS-3-08702,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)cc2)nc1,NPSKBPTWGSOBIU-UHFFFAOYSA-N,3,1,0.329,42,106,447.437,3.906,6,0.4,0.75,1.0,0.3937615653485025,0.43693886642450824,0.5887447741758618,0.5976715098348296,0.5042791789459256
EOS-3-08703,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)nc1,SPKPGOJBGBSVGF-UHFFFAOYSA-N,3,1,0.421,31,814,450.865,3.396,5,0.391,0.74,0.888,0.6283496676033171,0.5677044068261257,0.49453430196696596,0.5102631759303681,0.5502128880816942
EOS-3-08704,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)n5)cn4)n23)cc1,MSMYKOUSOFCCSW-UHFFFAOYSA-N,3,1,0.341,62,302,451.465,3.947,6,0.407,0.77,1.0,0.2089044616544445,0.18823247207182509,0.3726612295250497,0.43524261531080805,0.30126019464053183
EOS-3-08705,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4F)n23)cc1F,NFYRWSFCZSFFOC-UHFFFAOYSA-N,3,1,0.387,66,685,456.403,3.885,5,0.352,0.83,0.999,0.2762147899390035,0.404787197587554,0.7497001576314166,0.7711774381468028,0.5504698958261942
EOS-3-08706,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,NOXYSIBBKOTRCH-UHFFFAOYSA-N,3,1,0.289,9,537,434.467,3.522,6,0.441,0.72,1.0,0.12024535672674937,0.06643650195325886,0.187512850387225,0.19790453018984305,0.14302480981426907
EOS-3-08707,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)c1,KFFYFMWCCSYOBK-UHFFFAOYSA-N,3,1,0.319,10,872,436.414,3.03,6,0.414,0.69,0.999,0.004489068603933932,0.10965663765334796,0.35013878418203004,0.44132513193064216,0.22640240559248853
EOS-3-08708,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnn5)c4)n23)cc1F,YMGKVMOYPNQXRH-UHFFFAOYSA-N,3,1,0.612,34,607,435.369,3.64,5,0.416,0.74,1.0,0.9566085258035776,0.9420019189911589,0.9261616750051401,0.9213727640326228,0.9365362209581248
EOS-3-08709,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)nc1,DTSCKLXKYABCMB-UHFFFAOYSA-N,3,1,0.438,90,244,414.347,2.542,4,0.505,0.79,0.997,0.6142827770543485,0.43694743334932495,0.782083133438421,0.6885066136659584,0.6304549893770132
EOS-3-08710,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)cn2)cn1,IHRDITBQQOVDEF-UHFFFAOYSA-N,3,1,0.276,70,151,438.43,2.974,6,0.417,0.68,1.0,0.010468782125968062,0.09032108834212871,0.41645534918785554,0.40307381262422043,0.23007975807004316
EOS-3-08711,Cc1nnc(C)c(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1C,CGJWCEQXUVGLAI-UHFFFAOYSA-N,3,1,0.402,63,334,413.485,2.99,5,0.54,0.76,1.0,0.16436501953258859,0.047255157288739635,0.024912617366869987,0.024527105750119935,0.06526497498457953
EOS-3-08712,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)c2)n1,OIBSSNXDMSWCII-UHFFFAOYSA-N,3,1,0.275,98,213,433.439,2.501,6,0.412,0.71,1.0,0.055736412857240764,0.047263724213556305,0.08886471112329518,0.10183503529573025,0.07342497087245563
EOS-3-08713,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cn1,OAHWKWVHTAZULF-UHFFFAOYSA-N,3,1,0.289,94,165,433.439,2.501,6,0.412,0.71,1.0,0.10206634226578028,0.06252141731204167,0.16182920978685492,0.17056747309985607,0.12424611061613325
EOS-3-08714,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cncnc5)c4)n23)nc1,OEDJCCGCYUEBQF-UHFFFAOYSA-N,3,1,0.253,94,165,433.439,2.501,6,0.412,0.71,0.999,0.05574497978205743,0.0367264066890549,0.19787882941539306,0.2130594201905284,0.12585240901925845
EOS-3-08715,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5Cl)no4)n23)cc1,PCVPIPJBGKWECW-UHFFFAOYSA-N,3,1,0.369,62,837,475.871,4.193,6,0.405,0.88,1.0,0.3007761633883901,0.33249091905969436,0.32048009046672604,0.48489651154821467,0.35966092111575626
EOS-3-08716,Cc1ncccc1-c1cnc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cn1,BRVMBGAJORKBEM-UHFFFAOYSA-N,3,1,0.316,52,821,463.505,3.25,6,0.399,0.73,0.712,0.030780960866287437,0.005517099581934069,0.002929888287300391,0.00809574395175108,0.011830923171818244
EOS-3-08717,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccccc6)n5)n34)cc2)n1,OCCYWYBJTKYCMO-UHFFFAOYSA-N,3,1,0.377,9,186,433.435,3.669,6,0.41,0.76,1.0,0.1837348365430745,0.1401206223014187,0.17794359536700705,0.1979130971146597,0.17492803783153998
EOS-3-08718,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4)n23)nc1,RJPGLARTKNJMAL-UHFFFAOYSA-N,3,1,0.357,32,219,450.441,3.245,6,0.402,0.7,1.0,0.2142073881159619,0.2933743403467891,0.2473356863820163,0.3490850524295799,0.2760006168185868
EOS-3-08719,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)nc2)n1C,LBPAGZZCWUFVCO-UHFFFAOYSA-N,3,1,0.271,98,866,449.482,2.753,6,0.403,0.72,1.0,0.06632513193064217,0.06252998423685834,0.0932766774038791,0.08791378246864505,0.07751139401000616
EOS-3-08720,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)cn1,AAHTXMUYLQKPPE-UHFFFAOYSA-N,3,1,0.284,94,342,432.451,3.106,6,0.418,0.71,1.0,0.04922554999657323,0.014418134466451923,0.1681173326022891,0.18986018778699199,0.10540530121307656
EOS-3-08721,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncn5C)nc(C)n4)n23)cc1,VKGFIAZBSDREAF-UHFFFAOYSA-N,3,1,0.457,89,463,455.482,2.229,5,0.413,0.7,0.999,0.4247824001096566,0.14740250839558633,0.1281954629566171,0.04481358371598931,0.18629848879446234
EOS-3-08722,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ncccn5)n4)n23)c1,VESTUDIESTVOLQ-UHFFFAOYSA-N,3,1,0.303,39,527,437.402,2.425,6,0.409,0.69,0.999,0.014281063669385238,0.09032965526694538,0.06432047152354191,0.12871804537043383,0.07441230895757658
EOS-3-08723,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5F)n4)n23)cc1,KGOBVUVVTJWQKP-UHFFFAOYSA-N,3,1,0.321,67,289,438.43,2.974,6,0.417,0.69,1.0,0.04751216503323967,0.2064371873072442,0.247344253306833,0.3173788636830923,0.2046681173326023
EOS-3-08724,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)cc1,QMNSBAVGBJEZPS-UHFFFAOYSA-N,3,1,0.354,3,973,454.885,3.488,6,0.401,0.75,1.0,0.06843259543554246,0.20644575423206085,0.2402594064834487,0.35527893907203073,0.21760417380577068
EOS-3-08725,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cc2)n1,YFKOQBHYHXTVRZ-UHFFFAOYSA-N,3,1,0.308,30,158,431.463,3.804,6,0.418,0.76,1.0,0.017810636693852376,0.05083613186210678,0.20839044616544444,0.2568107052292509,0.13346197998766363
EOS-3-08726,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)n1,CZOZEOXGEJEPQH-UHFFFAOYSA-N,3,1,0.603,43,258,452.4,3.58,5,0.402,0.78,1.0,0.8219021999862929,0.64952710575012,0.9064920156260708,0.8221420738811597,0.8000158488109108
EOS-3-08727,NC(=O)c1ccc(-c2nnc3cncc(COc4ncc(-c5ccc(F)nc5)cn4)n23)cn1,JLYCJOPGVQQQST-UHFFFAOYSA-N,3,1,0.375,82,290,443.402,1.855,5,0.388,0.73,1.0,0.5038808169419505,0.332499485984511,0.20125419779316017,0.13515180590775136,0.2931965766568433
EOS-3-08728,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)nc1,FCHWFWFSOMUSEC-UHFFFAOYSA-N,3,1,0.298,10,723,436.414,3.03,6,0.414,0.7,0.934,0.023893153313686518,0.14741107532040298,0.2911812075937222,0.34909361935439653,0.20289476389555205
EOS-3-08729,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cc1,VNKBTFRERFCBNX-UHFFFAOYSA-N,3,1,0.294,39,972,436.414,3.03,6,0.414,0.7,1.0,0.011128435336851483,0.09349941744911247,0.26890720307038585,0.37833253375368375,0.18796689740250838
EOS-3-08730,CNC(=O)c1ccc(-c2nnc3cncc(-c4csc(-c5ccc(Cl)nc5)n4)n23)cc1,LLMPCFFQVVXOFL-UHFFFAOYSA-N,3,1,0.383,62,139,447.911,3.99,5,0.418,0.77,1.0,0.13690802549516826,0.24190425604824892,0.38026009183743403,0.35236618463436364,0.2778596395038037
EOS-3-08731,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)c(F)c3)n12,HYMQWIJHZOQDON-UHFFFAOYSA-N,3,1,0.565,37,325,430.447,3.051,5,0.408,0.76,1.0,0.49881776437529984,0.5397419642245219,0.25800150777876774,0.22737475155918033,0.3809839969844425
EOS-3-08732,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)c(F)c5)cn4)n23)cc1C,CZSNEINKNXLXTQ-UHFFFAOYSA-N,3,1,0.333,62,139,452.493,4.636,5,0.43,0.85,1.0,0.2443886642450826,0.20645432115687753,0.7497087245562333,0.6422537865807689,0.4607013741347406
EOS-3-08733,Cc1ccc(-c2nnc3cncc(OCc4cc(C#N)cc(-c5nnnn5C)c4)n23)cc1,NPGNFKGVNWYPHK-UHFFFAOYSA-N,3,1,0.562,89,402,423.44,2.741,5,0.423,0.78,1.0,0.619971215132616,0.4585703515865945,0.412625933794805,0.387816119525735,0.4697459050099376
EOS-3-08734,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccn2)cn1,NFKCTTVKGIDIGP-UHFFFAOYSA-N,3,1,0.58,16,391,435.85,3.958,5,0.415,0.77,1.0,0.7369097388801316,0.845289904735796,0.8280446850798437,0.8096600644232747,0.8049760982797616
EOS-3-08735,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)nc1,XZTVLFNGQRIIJL-UHFFFAOYSA-N,3,1,0.303,98,213,423.4,2.094,6,0.414,0.73,1.0,0.13941813446645193,0.08413576862449455,0.0410355698718388,0.05147865122335686,0.07901703104653554
EOS-3-08736,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)cn1,ZRBJIXGVJLYKOX-UHFFFAOYSA-N,3,1,0.289,98,642,434.467,3.049,6,0.42,0.71,1.0,0.07241621547529299,0.025520869028853404,0.2366184634363649,0.22146357343567952,0.1390047803440477
EOS-3-08737,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4)n23)nc1,CTAPENANXVZJBL-UHFFFAOYSA-N,3,1,0.37,68,364,414.351,1.946,4,0.543,0.69,1.0,0.29298882873003906,0.2568449729285176,0.5123706394352683,0.26280755260091837,0.33125299842368583
EOS-3-08738,OCc1cnc(-c2cccc(-c3nnc4cncc(Cc5ccc(F)c(F)c5)n34)c2)cn1,MAXSHDBVVJDISN-UHFFFAOYSA-N,3,1,0.373,14,358,430.418,3.61,5,0.458,0.7,1.0,0.45497224316359397,0.5216400520869029,0.8587399766979645,0.8475772736618463,0.6707323864025769
EOS-3-08739,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nn2)o1,CDXPVKOASRJWQG-UHFFFAOYSA-N,3,1,0.338,98,63,437.427,2.402,6,0.404,0.7,1.0,0.089978411349462,0.04727229113837297,0.042517647865122334,0.040992735247755464,0.05519027140017819
EOS-3-08740,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nncs5)c4)n23)nc1,MTEPVEITALVJLK-UHFFFAOYSA-N,3,1,0.4,33,760,445.468,2.038,5,0.417,0.69,1.0,0.3979679254334864,0.1293091631827839,0.09328524432869577,0.04616715783702282,0.16668237269549724
EOS-3-08741,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5cc(F)cc(Cl)c5)n34)c2)nn1,HSDSRDLTRBYBSF-UHFFFAOYSA-N,3,1,0.386,14,189,447.861,4.323,5,0.396,0.81,1.0,0.4962733877047495,0.6017836337468302,0.7086988554588445,0.7377835652114317,0.636134860530464
EOS-3-08742,Fc1cc(-c2cnc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)nc2)ccn1,BFAWLWYUCRZZMX-UHFFFAOYSA-N,3,1,0.308,94,989,448.425,3.301,6,0.374,0.77,1.0,0.2308443561099308,0.2879686107874717,0.29474504831745596,0.329869440065794,0.2858568638201631
EOS-3-08743,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)nc1,BZNGEBJYFOPELY-UHFFFAOYSA-N,3,1,0.524,20,325,432.394,2.938,5,0.403,0.73,1.0,0.8826759646357344,0.8805856349804674,0.4566427935028442,0.45719964361592763,0.6692760091837434
EOS-3-08744,COc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1cnccn1,IZHKOVJVYDZJIF-UHFFFAOYSA-N,3,1,0.535,20,658,426.44,2.668,5,0.387,0.77,1.0,0.49628195462956615,0.3522205469124803,0.2617109862243849,0.17342882598862314,0.32091057843876364
EOS-3-08745,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)cn2)c1,CTJLHWOJVBBQEV-UHFFFAOYSA-N,3,1,0.372,32,693,436.41,4.104,6,0.406,0.81,1.0,0.2929973956548557,0.36175553423343154,0.5594715920773079,0.6068466863134809,0.455267802069769
EOS-3-08746,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)cc2)nn1,DQYHZAQJQYAFGE-UHFFFAOYSA-N,3,1,0.329,64,27,449.453,3.85,6,0.403,0.77,1.0,0.10455075046261395,0.15918203001850456,0.4200877253101227,0.49698444246453294,0.2952012370639435
EOS-3-08747,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)ccc4OC(F)F)n23)cc1,XTCBMWSCFHHQPL-UHFFFAOYSA-N,3,1,0.443,48,999,413.359,3.558,4,0.541,0.81,0.995,0.754900280995134,0.8640857377835652,0.9278322253443904,0.8739462682475498,0.8551911280926598
EOS-3-08748,Cc1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)(F)F)nn5)n34)cc2)ncn1,CCLFQLLYPGATHL-UHFFFAOYSA-N,3,1,0.372,14,476,448.412,3.956,5,0.411,0.74,1.0,0.4224179288602563,0.42325748749228975,0.8587485436227812,0.7242221232266466,0.6071615208004935
EOS-3-08749,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)c(F)n4)n23)cc1,LRVFRNRNUBRSCU-UHFFFAOYSA-N,3,1,0.346,62,302,469.455,4.086,6,0.39,0.85,1.0,0.2419128229730656,0.3082465218285244,0.4600609965046947,0.5340535261462546,0.3860684668631348
EOS-3-08750,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)nn5)no4)n23)cc1,BIGWQYRVCIDYRO-UHFFFAOYSA-N,3,1,0.534,89,707,443.427,1.878,5,0.412,0.69,1.0,0.44080254951682546,0.23167534781714755,0.05477691727777397,0.021245973545336166,0.1871251970392708
EOS-3-08751,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncc(F)c5)c4)n23)nn1,ONVAGWXJFCQXTD-UHFFFAOYSA-N,3,1,0.444,54,483,431.406,3.809,5,0.418,0.77,1.0,0.743086491672949,0.592582756493729,0.7543605647316839,0.7455451990953328,0.7088937529984236
EOS-3-08752,O=C(NCc1ccc(F)nc1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)cn4)n23)cc1,TZLNNXZXENGTKX-UHFFFAOYSA-N,3,1,0.422,14,357,474.887,3.29,5,0.376,0.83,1.0,0.3594595983825646,0.32333287643067643,0.5088839010348846,0.46024946885066137,0.41298146117469675
EOS-3-08753,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)cc1,UFDUOXYLRSUFOJ-UHFFFAOYSA-N,3,1,0.377,3,289,425.387,3.228,6,0.423,0.78,1.0,0.11205537660201494,0.1755362894935234,0.3575748749228977,0.41918819820437253,0.26608868480570214
EOS-3-08754,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncs5)nc4)n23)cc1,VKCXVNKRDBRHTG-UHFFFAOYSA-N,3,1,0.529,89,656,469.53,3.781,6,0.386,0.84,1.0,0.3893238982934686,0.1362055376602015,0.18752141731204167,0.1817644438352409,0.22370382427523816
EOS-3-08755,FC(F)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnn5)n4)n23)cc1,OEBLVAQGADCMNL-UHFFFAOYSA-N,3,1,0.462,27,51,433.382,2.95,5,0.398,0.72,1.0,0.7809951339867042,0.6445582893564527,0.5627527242820917,0.5139983551504352,0.625576125693921
EOS-3-08756,Fc1cccc(-c2ncsc2-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)c1,YWAMEHUFWBQTLK-UHFFFAOYSA-N,3,1,0.337,94,151,441.455,3.697,6,0.411,0.73,1.0,0.0016020149407168802,0.054656980330340624,0.37266979644986636,0.4572082105407443,0.22153425056541703
EOS-3-08757,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c2)n1,YNAWNOCMGAFLGC-UHFFFAOYSA-N,3,1,0.329,25,508,432.451,3.106,6,0.418,0.74,1.0,0.09225721335069563,0.05867486806935782,0.19788739634020971,0.21592077307929547,0.14118506270988967
EOS-3-08758,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5nnnn5C)c4)n23)cc1,UCNZOTFGYWCJNJ-UHFFFAOYSA-N,3,1,0.293,98,866,435.455,2.444,6,0.414,0.69,1.0,0.08718559385922829,0.039998971969022,0.1553697484750874,0.1652388458638887,0.11194829004180659
EOS-3-08759,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)nn1,FDMWDTJMNKUGHD-UHFFFAOYSA-N,3,1,0.343,98,865,435.455,2.444,6,0.414,0.69,1.0,0.0332910698375711,0.02552943595367007,0.09563258172846276,0.09174319786169556,0.06154907134534987
EOS-3-08760,Cc1ccnc(OCc2cncc3nnc(-c4cc(-c5ccc(C)nc5)nc(C)n4)n23)c1,KTMOOFGTVRCUMV-UHFFFAOYSA-N,3,1,0.307,85,500,424.468,3.543,5,0.422,0.79,1.0,0.24439723116989925,0.11274073058734836,0.20839901309026113,0.12003975053114933,0.17139418134466453
EOS-3-08761,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(C(=O)N6CCC6)s5)n34)nc2)n(C)n1,FRRGTKNVUVZKGB-UHFFFAOYSA-N,3,1,0.32,52,821,457.523,2.865,6,0.408,0.75,0.841,0.010477349050784731,0.03673497361387156,0.0009766294291001301,0.0011479679254334863,0.012334230004797476
EOS-3-08762,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)cn4)n23)cc1F,RLWYYDNSYZRAOP-UHFFFAOYSA-N,3,1,0.448,92,399,459.445,2.06,5,0.409,0.71,1.0,0.42009629223493933,0.3233414433554931,0.2984887944623398,0.17599890343362345,0.30448135837159895
EOS-3-08763,Cc1cccc(-c2ncc(C)cc2-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)c1,LADBJQGCYMNFMQ-UHFFFAOYSA-N,3,1,0.28,52,582,461.529,4.424,6,0.416,0.84,1.0,0.08998697827427866,0.027782537180453704,0.17132136248372284,0.21306798711534508,0.12553971626345006
EOS-3-08764,Cc1ccnc(-c2nnc3cncc(OCc4cnc(C5(F)CCOCC5)nc4)n23)n1,GBNSOFPKWIRPAQ-UHFFFAOYSA-N,3,1,0.375,68,806,422.424,2.234,5,0.478,0.71,0.996,0.37799842368583375,0.17095298471660614,0.004369131656500582,0.012379206360084985,0.14142493660475633
EOS-3-08765,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)nc1,MKSLBVZYAZZZCH-UHFFFAOYSA-N,3,1,0.297,30,945,430.475,4.316,6,0.414,0.81,1.0,0.07242478240010966,0.03379651840175451,0.4275409499006237,0.44133369885545887,0.2437739873894867
EOS-3-08766,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)cc1,CCABNTSMKKYCKR-UHFFFAOYSA-N,3,1,0.368,9,553,430.475,4.316,6,0.414,0.81,1.0,0.1535278596395038,0.054665547255157286,0.5050202179425674,0.5070077445000343,0.3050553423343157
EOS-3-08767,N#Cc1ccc(F)c(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)c1,KKOBMORPCSANGN-UHFFFAOYSA-N,3,1,0.46,51,969,425.387,2.628,5,0.417,0.77,1.0,0.7549088479199506,0.7541463916112672,0.6167671852511822,0.5885820026043451,0.6786011068466862
EOS-3-08768,OCc1nc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nc2)no1,PYTYPIFKHMDSNN-UHFFFAOYSA-N,3,1,0.333,94,515,449.434,2.853,6,0.417,0.78,1.0,0.1978102940168597,0.18824103899664177,0.12820402988143376,0.16269446919333835,0.1692374580220684
EOS-3-08769,OCc1ccc(-c2cc(-c3nnc4cncc(COc5cccc(Cl)c5)n34)ncn2)cc1,KVLCTHMUFRKESK-UHFFFAOYSA-N,3,1,0.377,44,18,444.882,3.973,5,0.423,0.77,0.884,0.4526591734630937,0.5397505311493387,0.7660886848057021,0.7757607429237201,0.6335647830854636
EOS-3-08770,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncs5)cn4)n23)cc1,ASCJXJVDVLJYTO-UHFFFAOYSA-N,3,1,0.461,89,943,470.518,3.176,6,0.385,0.82,1.0,0.39797649235830307,0.1709615516414228,0.08146288808169419,0.08443561099307792,0.1837091357686245
EOS-3-08771,Cn1ccnc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)cn1,KNENPEVTZGRUJH-UHFFFAOYSA-N,3,1,0.338,42,106,431.463,3.711,6,0.419,0.75,1.0,0.12571105475978342,0.050844698786923444,0.2222688643684463,0.2687701322733192,0.1668986875471181
EOS-3-08772,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)cnc5C#N)cc4F)n23)cc1,HAIXBNPISGERGH-UHFFFAOYSA-N,3,1,0.363,62,3,467.439,4.03,5,0.428,0.78,0.999,0.3457525186758961,0.36176410115824825,0.8769789596326503,0.8241038996641765,0.6021498697827428
EOS-3-08773,Cc1c(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c(-c2ccncn2)nn1C,ZMTJMUGRCARBSI-UHFFFAOYSA-N,3,1,0.286,38,608,446.478,3.414,6,0.405,0.74,1.0,0.07842162977177712,0.03060962236995408,0.1340209718319512,0.13081694195051743,0.09346729148104996
EOS-3-08774,Cc1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(C(F)(F)F)c4)n23)nc1,IWFACPHHISLSRC-UHFFFAOYSA-N,3,1,0.478,68,457,434.809,4.183,4,0.438,0.73,1.0,0.9184514426701391,0.8667243506270988,0.9403827702008087,0.8677609485299157,0.8983298780069906
EOS-3-08775,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cn4)n23)cc1,URAKLAPNSYZZPU-UHFFFAOYSA-N,3,1,0.346,74,918,413.405,0.798,5,0.452,0.84,1.0,0.1230296072921664,0.047280858063189636,0.01833321910766911,0.008815365636351175,0.049364762524844084
EOS-3-08776,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccccn5)ncc4Cl)n23)cc1,NWVVLJCAYKSOHM-UHFFFAOYSA-N,3,1,0.489,89,805,471.908,3.84,5,0.401,0.81,1.0,0.7978377081762731,0.5925913234185457,0.5463813309574396,0.45077445000342675,0.5968962031389213
EOS-3-08777,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)n1,FBKLNEYGMULKKN-UHFFFAOYSA-N,3,1,0.303,38,193,432.451,3.106,6,0.418,0.72,0.997,0.08999554519909533,0.05085326571174011,0.23324309505859778,0.2597405935165513,0.15845812487149613
EOS-3-08778,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)nc1,XUCCOJPBVFFGMG-UHFFFAOYSA-N,3,1,0.266,70,165,432.451,3.106,6,0.418,0.72,1.0,0.02600918374340347,0.02103180042491947,0.3422143787266123,0.3016499897196902,0.17272633815365634
EOS-3-08780,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5F)nn4)n23)cc1,GBMKHZIGTCWEDJ-UHFFFAOYSA-N,3,1,0.325,98,39,456.42,3.113,6,0.401,0.74,1.0,0.022847988486053045,0.18824960592145842,0.4739394147076965,0.5340620930710712,0.30477477554656984
EOS-3-08781,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)cc(F)c4F)n23)cc1,XZKYREZOGTWHAX-UHFFFAOYSA-N,3,1,0.538,97,91,459.416,3.204,5,0.414,0.72,1.0,0.8088804742649579,0.3572750325543143,0.8317541635254609,0.7403793434308821,0.6845722534439038
EOS-3-08782,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)nc1,LKKGBRNHDHOCMO-UHFFFAOYSA-N,3,1,0.292,94,892,436.414,3.03,6,0.414,0.71,0.769,0.013638544308135152,0.12594236172983345,0.3020526351860736,0.35872284284833117,0.20008909601809333
EOS-3-08783,Cc1nc(COC(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)co1,QUPLEHXVVUNAAW-UHFFFAOYSA-N,3,1,0.354,62,139,455.434,2.606,5,0.381,0.77,1.0,0.21709444177917894,0.062538551161675,0.1809420190528408,0.06796141457062572,0.13213410664108013
EOS-3-08784,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)c1,GJNZDTFWOAQPSU-UHFFFAOYSA-N,3,1,0.393,51,969,434.822,3.41,5,0.414,0.71,1.0,0.6547443629634706,0.7838821876499212,0.5294188198204373,0.5976800767596464,0.6414313617983689
EOS-3-08785,COc1ccc(COc2cncc3nnc(-c4ccc(-c5cn(C)cn5)c(F)c4)n23)cn1,BLHDEOWKPRGMNR-UHFFFAOYSA-N,3,1,0.517,16,214,431.431,3.314,5,0.407,0.78,1.0,0.7723682406963196,0.6066410801178809,0.6341152080049346,0.4633935302583784,0.6191295147693784
EOS-3-08786,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cn4)n23)c1,RIHFYIXZIIZMGT-UHFFFAOYSA-N,3,1,0.3,98,219,451.429,2.64,6,0.398,0.72,1.0,0.21421595504077856,0.24701014323898293,0.17477383318483997,0.2537608799945172,0.22244020286477967
EOS-3-08787,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(CCC(C)(C)O)s4)n23)cc1,WHCAXSCAQHJQGJ-UHFFFAOYSA-N,3,1,0.343,63,437,422.514,2.978,4,0.495,0.86,0.999,0.19236172983345898,0.09033822219176205,0.12292680419436638,0.04891714070317319,0.11363597423069016
EOS-3-08788,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)cn4)n23)cc1,JRFCUSWPJZKGKJ-UHFFFAOYSA-N,3,1,0.454,89,731,456.441,2.721,5,0.387,0.73,1.0,0.5974487697895964,0.3810139812213008,0.4240970461243232,0.28355664450688783,0.42152911041052704
EOS-3-08789,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)cc1F,QEZBQNZDEBWXJT-UHFFFAOYSA-N,3,1,0.302,3,289,453.416,3.774,6,0.401,0.74,0.873,0.06283839353025839,0.2621564663148516,0.6579226920704544,0.7111232951819615,0.4235102117743815
EOS-3-08790,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)s4)n23)cc1,VXVKCKWTRUAHBD-UHFFFAOYSA-N,3,1,0.381,52,423,456.506,4.613,6,0.417,0.83,1.0,0.22542149270098005,0.25203892810636697,0.35758344184771435,0.44452059488725926,0.31989111438558016
EOS-3-08791,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)c1,UBRWKRCEDSAGAZ-UHFFFAOYSA-N,3,1,0.314,62,302,446.514,4.721,6,0.422,0.84,1.0,0.16437358645740524,0.06991467342882599,0.43112192447399084,0.46340209718319514,0.2822030703858543
EOS-3-08792,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCO5)nc4)n23)cc1,NFOPHCVTKDQIOS-UHFFFAOYSA-N,3,1,0.364,0,688,415.413,1.73,5,0.537,0.78,1.0,0.09465595229936262,0.007204783770817627,0.010134672058118018,0.011042766088684805,0.030759543554245768
EOS-3-08793,CCn1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4C4CCC4)n23)c(C)n1,KKLWXCHHPGYWQL-UHFFFAOYSA-N,3,1,0.282,63,792,441.539,4.143,6,0.486,0.77,0.853,0.07843019669659379,0.03674354053868823,0.01595161400863546,0.04892570762798985,0.04501276471797683
EOS-3-08794,Fc1cc(-c2nnc3cncc(OCc4nccc(C(F)(F)F)n4)n23)ccc1Cl,UBCKJMBOUDBSMU-UHFFFAOYSA-N,3,1,0.544,68,255,424.745,3.972,4,0.461,0.76,1.0,0.9663062846960455,0.9816153793434309,0.9793108765677473,0.9608234528133781,0.9720139983551503
EOS-3-08795,Cn1cnnc1-c1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,NODMDUAMUFPTKP-UHFFFAOYSA-N,3,1,0.628,36,32,436.838,3.353,5,0.417,0.73,1.0,0.877038928106367,0.8939757384689192,0.46727434720032895,0.5535432801041738,0.6979580734699473
EOS-3-08796,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(F)c5)cn4)n23)cc1,UZNJFMVUWMKXMJ-UHFFFAOYSA-N,3,1,0.469,89,943,470.468,3.111,5,0.385,0.78,1.0,0.5887961757247618,0.34744020286477967,0.34611232951819615,0.24200705914604895,0.38108894181344666
EOS-3-08797,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)n1,COZKOWFIKVRVRI-UHFFFAOYSA-N,3,1,0.316,38,746,450.441,3.245,6,0.402,0.72,1.0,0.19237029675827566,0.2827085189500377,0.2437975464327325,0.32987800699061065,0.26218859228291413
EOS-3-08798,Cn1c(-c2ccc(F)cc2)nnc1-c1cncc2nnc(-c3ccc(C(F)F)cn3)n12,DLBXJVPVVQUNCP-UHFFFAOYSA-N,3,1,0.351,22,311,422.374,3.726,5,0.439,0.8,0.685,0.15628640943047084,0.4409738880131588,0.6521999862929203,0.7268778699198136,0.49408453841409083
EOS-3-08799,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nn5)n34)cc2)nn1,NITMZUSQAFEPBB-UHFFFAOYSA-N,3,1,0.289,98,63,447.466,2.809,6,0.401,0.72,1.0,0.07843876362141046,0.047289424988006305,0.09564114865327941,0.10184360222054692,0.08080323487081077
EOS-3-08800,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccnc(F)c5)nc(C)n4C)n23)cc1,LHJHMGFNGHJTLM-UHFFFAOYSA-N,3,1,0.352,74,139,442.458,3.061,5,0.429,0.73,1.0,0.22831711328901377,0.20194811870331025,0.25456617092728395,0.18444589130285793,0.21731932355561648
EOS-3-08801,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnc(C)s5)cn4)n23)c(F)c1,KCBHNMNKYCNNDZ-UHFFFAOYSA-N,3,1,0.4,89,412,462.47,3.304,5,0.422,0.75,1.0,0.5114197107806182,0.44550579124117606,0.21519258446987868,0.1330871770269344,0.32630131587965183
EOS-3-08803,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)cn5)c4)n23)nc1,UFSPIVWOVFVZIY-UHFFFAOYSA-N,3,1,0.38,33,62,457.429,2.116,5,0.407,0.68,1.0,0.5395277911041053,0.29338290727160576,0.2877116030429717,0.17898019326982387,0.3249006236721267
EOS-3-08804,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5nnnn5C)c4)n23)cc1,UZCLKCRPCAMGGN-UHFFFAOYSA-N,3,1,0.309,98,42,435.455,2.444,6,0.414,0.7,1.0,0.090004112123912,0.040007538893838665,0.12293537111918305,0.13309574395175108,0.0965106915221712
EOS-3-08805,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(C)n5C)cn4)n23)cc1F,IINYJFZAIBAAKU-UHFFFAOYSA-N,3,1,0.373,89,412,458.457,3.186,5,0.43,0.76,1.0,0.5662051949832089,0.40479576451237065,0.3240610650400932,0.18701596874785828,0.37051949832088277
EOS-3-08806,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nccc(-c4cccnn4)n3)n12,SFIDSMPNPQAMQD-UHFFFAOYSA-N,3,1,0.489,34,446,434.822,3.41,5,0.414,0.76,0.989,0.7607600575697347,0.9332550887533411,0.48452813378109794,0.5666763758481256,0.6863049139880748
EOS-3-08807,Fc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,LKOQWOVZEWXBPQ-UHFFFAOYSA-N,3,1,0.494,16,89,433.834,4.015,5,0.413,0.74,1.0,0.7430950585977657,0.717557055719279,0.7992769515454733,0.8241124665889932,0.7710103831128778
EOS-3-08808,O=C(O)c1ccc(-c2nnc3cncc(-c4cc(-c5cc(F)ncc5F)ncn4)n23)cc1,REACUPYPIODYNK-UHFFFAOYSA-N,3,1,0.373,96,140,431.362,3.287,5,0.431,0.76,1.0,0.27127167431978616,0.10634980467411417,0.7113546021520115,0.6246830237817833,0.4284147762319238
EOS-3-08809,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4F)n23)cc1,OXXUTZZMAPUFSE-UHFFFAOYSA-N,3,1,0.456,62,451,457.469,3.791,5,0.431,0.74,1.0,0.6913593996299089,0.467454252621479,0.5015506133918168,0.3330991707216778,0.4983658590912206
EOS-3-08810,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C(F)c5ccc(F)cc5)cn4)n23)cc1,CMTMNYWWPPRFAU-UHFFFAOYSA-N,3,1,0.415,62,837,443.417,3.545,5,0.445,0.67,1.0,0.22244020286477967,0.2774998286615037,0.8414947570420122,0.785150092522788,0.5316462202727709
EOS-3-08811,NC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(C(F)F)n5)n4)n23)cc1,UYJVRRQKJWCRPM-UHFFFAOYSA-N,3,1,0.346,61,681,433.382,2.471,5,0.451,0.64,0.745,0.0285021588650538,0.09034678911657872,0.3686861764101158,0.2863751627715715,0.19347757179082994
EOS-3-08812,Cn1cc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)cn2)cn1,DORPEIFKAOBXDD-UHFFFAOYSA-N,3,1,0.29,99,356,439.418,2.369,6,0.411,0.68,1.0,0.0004112123912000548,0.05868343499417449,0.21863648824617915,0.2863837296963882,0.1410287163319855
EOS-3-08813,Fc1ccc(Cc2cncc3nnc(-c4cc(F)c(-c5ccnnc5)cn4)n23)cc1Cl,UOZXXPOYUDHFAG-UHFFFAOYSA-N,3,1,0.358,45,575,435.825,4.166,5,0.421,0.73,1.0,0.3937701322733192,0.432304160098691,0.9074600781303543,0.9341803166335412,0.6669286717839764
EOS-3-08814,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)cn2)cc1,UZHONJDEVFZNGU-UHFFFAOYSA-N,3,1,0.32,30,668,434.438,4.24,6,0.413,0.78,0.967,0.026017750668220135,0.15539544924953738,0.6310825166198342,0.702573504214927,0.3787673051881297
EOS-3-08816,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,TXHREBOZHIETHG-UHFFFAOYSA-N,3,1,0.318,38,787,431.463,3.711,6,0.419,0.73,1.0,0.12303817421698307,0.07370982112260983,0.3240696319649099,0.34582962099924613,0.21666181207593727
EOS-3-08817,CN(C)Cc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)cc1F,GDPGCKJVANLXDO-UHFFFAOYSA-N,3,1,0.632,23,17,429.858,4.364,4,0.455,0.77,1.0,0.9651154821465286,0.9633935302583785,0.9457285312864094,0.9254249194709068,0.949915615790556
EOS-3-08818,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)cn2)cn1,KWUSTPLFPJEUQI-UHFFFAOYSA-N,3,1,0.361,3,150,436.454,4.184,6,0.414,0.77,1.0,0.01364711123295182,0.21140600370091153,0.739788225618532,0.7532811322047838,0.4295306181892948
EOS-3-08819,COc1ccc(-c2ccccc2-c2nnc3cncc(C(F)(F)c4ncccn4)n23)cn1,DSDYVMOTFNXPAJ-UHFFFAOYSA-N,3,1,0.356,14,700,431.406,3.792,5,0.418,0.77,1.0,0.40872798300322116,0.49422589267356587,0.7882684531560551,0.6035398533342471,0.5736905455417722
EOS-3-08820,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4cccc(F)c4)n23)cn1,ZBSIVIMGLABXJE-UHFFFAOYSA-N,3,1,0.478,4,205,442.414,2.46,5,0.424,0.7,1.0,0.5916660955383456,0.3763278733465835,0.24026797340826536,0.22419642245219656,0.35811459118634775
EOS-3-08821,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,ICCCZIYBGZGVDW-UHFFFAOYSA-N,3,1,0.459,89,398,467.493,2.453,6,0.387,0.77,1.0,0.3432852443286958,0.09350798437392914,0.042526214789939,0.04617572476183949,0.13137379206360086
EOS-3-08822,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4F)n23)c1,GGABJLGEDZLKMS-UHFFFAOYSA-N,3,1,0.56,35,429,431.406,3.543,5,0.406,0.75,1.0,0.9251250771023234,0.9137996024946885,0.7424868069357823,0.7324292372010143,0.8284601809334521
EOS-3-08823,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cn1)N1CCOCC1,CMLYPRLPWWQUIM-UHFFFAOYSA-N,3,1,0.408,52,229,478.516,2.706,6,0.379,0.86,0.968,0.013655678157768487,0.0006939209101500926,0.00879823178671784,0.027319923240353643,0.012616938523747515
EOS-3-08824,CC(C)(N)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnn5)cn4)n23)cc1,YMNDQKYARGPCDC-UHFFFAOYSA-N,3,1,0.411,72,310,424.468,3.629,5,0.454,0.78,1.0,0.6060670961551642,0.2879771777122884,0.6771297375094236,0.4413422657802755,0.5031290692892879
EOS-3-08825,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nn1,MFUZPLJFQVDILA-UHFFFAOYSA-N,3,1,0.434,14,476,433.397,4.253,5,0.421,0.76,1.0,0.36397436776094855,0.4455143581659927,0.9296141457062573,0.8766791172640669,0.6539454972243164
EOS-3-08826,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)cc1,HZBIUJCQBUCPCZ-UHFFFAOYSA-N,3,1,0.368,9,98,449.453,3.85,6,0.403,0.76,1.0,0.2444057980947159,0.337502570077445,0.48811767527928174,0.540487286683572,0.40262833253375363
EOS-3-08827,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cccc(F)c5)c4)n23)nc1,UOYORYAHLBQBDN-UHFFFAOYSA-N,3,1,0.317,42,179,449.453,3.85,6,0.403,0.76,1.0,0.15088067987115344,0.24701871016379962,0.5123792063600849,0.5794924953738606,0.3724427729422246
EOS-3-08829,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)cn1)N1CC(F)C1,DSXXEDMSTWMZCQ-UHFFFAOYSA-N,3,1,0.341,82,204,470.443,3.243,6,0.397,0.78,0.984,0.26853025837845246,0.25685353985333426,0.17478240010965665,0.3016585566445069,0.25045618874648756
EOS-3-08830,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)c1,JNUIDJUNIWYPHH-UHFFFAOYSA-N,3,1,0.341,3,973,452.869,3.544,6,0.399,0.75,1.0,0.038851004043588516,0.19710780618189294,0.23325166198341443,0.3654907134534987,0.20867529641559865
EOS-3-08831,NC(=O)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5)n4)n23)c(F)c1,MCEXIMZFIHPUHB-UHFFFAOYSA-N,3,1,0.378,22,888,419.355,1.811,5,0.47,0.72,1.0,0.07243334932492633,0.22677506682201357,0.29118977451853884,0.3587314097731478,0.23728240010965662
EOS-3-08832,NC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccnc(Cl)c5)s4)n23)cc1F,ALJBMBAKNZGHMM-UHFFFAOYSA-N,3,1,0.343,22,768,452.862,3.263,5,0.415,0.74,0.99,0.1369165924199849,0.2419128229730656,0.32407819888972655,0.409661777808238,0.2781423480227537
EOS-3-08833,Cn1nccc1CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,KRRDGDQBTQNQEE-UHFFFAOYSA-N,3,1,0.345,62,289,476.504,2.703,6,0.392,0.8,1.0,0.06450037694469193,0.027791104105270373,0.12547118086491674,0.08263655678157769,0.07509980467411417
EOS-3-08834,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnnn6C)c5)n34)cn2)cn1,AAEIFRCRQYUVTF-UHFFFAOYSA-N,3,1,0.311,70,899,463.465,2.509,6,0.375,0.79,1.0,0.14220238503186897,0.10635837159893084,0.1461774381468028,0.11769241313138236,0.12810765197724625
EOS-3-08835,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5C)ccn4)n23)cn1,PMNMUZMWOANABO-UHFFFAOYSA-N,3,1,0.458,7,205,453.466,2.285,5,0.411,0.72,1.0,0.3686176410115825,0.19248166678089232,0.15863374683023782,0.06973476800767596,0.19736695565759715
EOS-3-08836,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(F)n5)cnn4)n23)cc1,DHLRYGLFXNKVJR-UHFFFAOYSA-N,3,1,0.323,52,582,452.453,3.342,6,0.407,0.75,1.0,0.19237886368309232,0.14365019532588583,0.2689157699952025,0.3491021862792132,0.23851175382084847
EOS-3-08837,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)cn4)n23)cn1,BXAASNVBTBHBDQ-UHFFFAOYSA-N,3,1,0.564,4,205,430.859,3.579,5,0.416,0.75,1.0,0.6311938866424508,0.7313669385237476,0.372678363374683,0.3491107532040299,0.5210874854362278
EOS-3-08838,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cncc(F)c5)nn4)n23)cc1,QYDYFRLZMGHGTD-UHFFFAOYSA-N,3,1,0.305,98,620,439.418,2.369,6,0.411,0.69,1.0,0.026026317593036804,0.14012918922623535,0.2802840792269207,0.32037728736892607,0.19170421835377974
EOS-3-08839,COc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,LPOIQUUNHRXDGF-UHFFFAOYSA-N,3,1,0.366,98,289,450.466,2.843,6,0.394,0.73,1.0,0.11781235007881571,0.047297991912822974,0.13731067096155164,0.11044479473648139,0.10321645192241793
EOS-3-08840,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1,DILUWXNTYGHXCN-UHFFFAOYSA-N,3,1,0.31,3,115,437.442,3.579,6,0.419,0.73,1.0,0.02603488451785347,0.17097011856623948,0.45325029127544375,0.4938232472071825,0.2860196353916798
EOS-3-08841,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,VRQRXWIHWHONIS-UHFFFAOYSA-N,3,1,0.5,37,132,448.849,3.452,5,0.389,0.74,1.0,0.9082482352134877,0.9232403536426564,0.42009629223493933,0.47859125488314713,0.6825440339935577
EOS-3-08842,Fc1cnc(-c2nn[nH]n2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,KOXADWCFFWJFCM-UHFFFAOYSA-N,3,1,0.612,36,6,423.799,2.738,5,0.458,0.73,1.0,0.8883558357891851,0.8914998971969021,0.395038037146186,0.5306010554451374,0.6763737063943527
EOS-3-08843,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)cc1,HFFQQVYCEQODDY-UHFFFAOYSA-N,3,1,0.3,38,725,433.479,3.654,6,0.421,0.75,1.0,0.09001267904872867,0.054674114179973955,0.4494979782057433,0.3843893495990679,0.24464353025837846
EOS-3-08844,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)cc1,VXTUYEVTMZJNRO-UHFFFAOYSA-N,3,1,0.265,38,369,433.479,3.654,6,0.421,0.75,1.0,0.03727468987732164,0.02104036734973614,0.44589986978274276,0.39114865327941883,0.22384089507230484
EOS-3-08845,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)n1,ZITAFAUQNMCUMD-UHFFFAOYSA-N,3,1,0.297,98,727,434.467,3.049,6,0.42,0.69,1.0,0.0922657802755123,0.06644506887807552,0.21520115139469537,0.19274724145020902,0.14166481049962307
EOS-3-08846,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)cc1,OVXHSVSUMGNZKI-UHFFFAOYSA-N,3,1,0.289,64,495,432.451,3.106,6,0.418,0.73,1.0,0.0557535467068741,0.023156397779453088,0.11716983071756562,0.1469827290795696,0.0857656260708656
EOS-3-08847,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cc1,NPFHTCWPKIQIJD-UHFFFAOYSA-N,3,1,0.333,94,167,433.439,2.501,6,0.412,0.7,1.0,0.072441916249743,0.047306558837639644,0.18095058597765745,0.17600747035844014,0.11917663285587005
EOS-3-08848,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ncc(Cl)cn4)n23)cc1F,ISXCNSZIQGTXEO-UHFFFAOYSA-N,3,1,0.337,74,736,450.821,3.055,5,0.443,0.65,1.0,0.40011822356247,0.4094133369885546,0.2947536152422726,0.31738743060790897,0.35541815160030155
EOS-3-08849,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)nc4)n23)cc1,ZWZLFRQGARONMT-UHFFFAOYSA-N,3,1,0.329,64,449,436.41,4.104,6,0.406,0.79,0.994,0.35946816530738124,0.38102254814611747,0.4945428688917826,0.5570899869782743,0.4480308923308889
EOS-3-08850,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)ccc1F,HLESZDIKLBTZTJ-UHFFFAOYSA-N,3,1,0.512,26,795,434.41,2.882,5,0.405,0.71,1.0,0.8113905832362415,0.6164245082585155,0.4706497155780961,0.460258035775478,0.5896807107120828
EOS-3-08851,Cc1cnc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)n2)s1,FTTZKVGAASMBQF-UHFFFAOYSA-N,3,1,0.269,33,432,456.495,2.362,6,0.422,0.69,0.824,0.05927455280652457,0.06254711808649167,0.004129257761633884,0.003863683092317182,0.03245365293674183
EOS-3-08852,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)ccn2)o1,QMCWHPWRQIIFOS-UHFFFAOYSA-N,3,1,0.292,30,301,432.447,4.274,6,0.406,0.8,1.0,0.12304674114179974,0.06992324035364265,0.2911983414433555,0.3298865739154273,0.2035137242135563
EOS-3-08853,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)nn1,BUKYGNGWZDLASN-UHFFFAOYSA-N,3,1,0.321,10,952,453.857,2.939,6,0.396,0.74,0.802,0.022856555410869714,0.16304571311082175,0.08406723322596121,0.1979216640394764,0.11697279144678227
EOS-3-08854,Cc1nc(C(N)=O)ccc1-c1nnc2cncc(OCc3cccnc3-c3nccn3C)n12,VKCBEXPJDXXDAT-UHFFFAOYSA-N,3,1,0.427,7,85,441.455,1.968,5,0.422,0.69,1.0,0.3480912891508464,0.11885751490644918,0.03818278390788842,0.0167397710917689,0.13046783976423823
EOS-3-08855,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cc1F,XAEPTXQIBWLWPE-UHFFFAOYSA-N,3,1,0.286,70,596,451.429,2.64,6,0.398,0.7,1.0,0.17229799191282297,0.2520474950311836,0.2294565142896306,0.28951065725447195,0.23582816462202727
EOS-3-08856,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)cc4OC(C)=O)n23)cc1,HCJWKVGFKAHAIG-UHFFFAOYSA-N,3,1,0.386,0,999,421.844,3.397,4,0.4,0.85,1.0,0.557612569392091,0.5305924885203207,0.5496538962374066,0.3911572202042355,0.5072540435885134
EOS-3-08857,CNC(=O)c1ccc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)cc1F,KNRDVTODYCXNKD-UHFFFAOYSA-N,3,1,0.505,1,347,460.494,3.993,5,0.412,0.84,1.0,0.6455863203344527,0.5169368103625522,0.42010485915975604,0.342608457268179,0.48130911178123503
EOS-3-08858,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cccnc5)c4)n23)c1,CWIQYWFTOZCYTI-UHFFFAOYSA-N,3,1,0.303,64,449,435.426,3.635,6,0.417,0.72,1.0,0.005337194160784045,0.07711945719964361,0.435088410664108,0.5171766842574189,0.25868043657048867
EOS-3-08859,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccncn5)c4)n23)nc1,RLZHXYDLTDRKED-UHFFFAOYSA-N,3,1,0.318,10,664,435.426,3.635,6,0.417,0.72,0.999,0.001079432526900144,0.11886608183126585,0.5627612912069083,0.609913645397848,0.3231551127407306
EOS-3-08860,Fc1cc(-c2nnc3cncc(-c4nnn(-c5ccncc5)n4)n23)ccc1-c1ccccc1,JQXNOQANOUANLV-UHFFFAOYSA-N,3,1,0.341,3,158,435.426,3.635,6,0.417,0.72,1.0,0.020706257281886093,0.17978548420259063,0.4092077307929546,0.5340706599958879,0.28594253306832984
EOS-3-08861,CCn1cnc(CCO)c1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,HKBCTXORDDASTI-UHFFFAOYSA-N,3,1,0.383,63,334,431.5,2.026,5,0.442,0.82,1.0,0.11782091700363237,0.01302172572133507,0.0139983551504352,0.01842745528065246,0.04081711328901377
EOS-3-08862,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)c(Cl)s4)n23)nc1,RRGSNRZFNZIZQV-UHFFFAOYSA-N,3,1,0.409,90,457,449.323,3.883,4,0.48,0.67,0.848,0.44541155506819274,0.39034336234665207,0.33517236652731136,0.3363888698512782,0.37682903844835863
EOS-3-08863,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)nn1,IIOKDNDLEHPDRZ-UHFFFAOYSA-N,3,1,0.511,15,300,430.859,3.313,5,0.404,0.71,1.0,0.7189191967651292,0.7541549585360839,0.2580100747035844,0.305033925022274,0.5090295387567678
EOS-3-08864,CNC(=O)c1ccc(-c2nnc3cncc(Cc4nc(-c5cccc(Cl)c5)ccc4F)n23)nc1,ZDTSYNOZVAUUDC-UHFFFAOYSA-N,3,1,0.408,14,358,473.899,3.991,5,0.414,0.8,1.0,0.25265574669316704,0.33751113700226165,0.5259834829689535,0.5634123774929751,0.4198906860393393
EOS-3-08865,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cn4)n23)nc1,QQUDOBRJKSHZLF-UHFFFAOYSA-N,3,1,0.292,70,301,446.478,3.414,6,0.405,0.75,0.997,0.06284696045507504,0.054682681104790624,0.18752998423685835,0.20985539030909464,0.12872875402645467
EOS-3-08866,Cn1ncnc1-c1nccnc1-c1cncc2nnc(-c3nccnc3-c3cccc(F)c3)n12,KPPTUUBRXJLDFR-UHFFFAOYSA-N,3,1,0.329,39,972,451.429,2.64,6,0.398,0.73,0.999,0.1070608594338976,0.15136899458570352,0.06432903844835858,0.13082550887533412,0.11339610033582345
EOS-3-08867,Cc1cc(-n2ccnn2)ccc1-c1cncc2nnc(-c3nncnc3-c3ccc(F)cc3)n12,GOEWAIHKUYOEGK-UHFFFAOYSA-N,3,1,0.291,10,543,450.441,3.339,6,0.402,0.75,1.0,0.011985127818518265,0.0935165512987458,0.3766191487903502,0.45078301692824346,0.23322596120896444
EOS-3-08868,COCCn1cc(-c2cncc3nnc(-c4cnc(-c5ccc(Cl)nc5)nc4)n23)cn1,APJKSSCTHIONCH-UHFFFAOYSA-N,3,1,0.303,50,489,433.863,2.807,5,0.376,0.81,1.0,0.11510520183674867,0.1293177301076006,0.1843173874306079,0.2185422520731958,0.16182064286203823
EOS-3-08869,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c(F)c2)n1,KLNIWSVAEPVITQ-UHFFFAOYSA-N,3,1,0.342,25,508,453.445,2.583,6,0.4,0.7,1.0,0.21986155849496264,0.2621650332396683,0.21195428688917825,0.23322596120896444,0.2318017099581934
EOS-3-08870,CCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5(C)CCC5)cn4)n23)cn1,YBEVGPCDTUYBGZ-UHFFFAOYSA-N,3,1,0.337,63,505,428.5,2.802,5,0.503,0.66,0.999,0.07043725584264272,0.03380508532657117,0.004137824686450552,0.005868343499417449,0.028562127338770473
EOS-3-08871,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)c(F)c1,ZOTALZTXWYGLFI-UHFFFAOYSA-N,3,1,0.517,66,12,460.391,3.541,4,0.404,0.76,1.0,0.5798865739154273,0.45857891851141114,0.8225875539716263,0.6914022342539922,0.6381138201631142
EOS-3-08872,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nccc(F)c5F)c4)n23)cc1,XDZGYMOBGPEPFX-UHFFFAOYSA-N,3,1,0.35,62,3,456.456,4.548,5,0.42,0.82,1.0,0.33144575423206085,0.27241964224521964,0.7704835172366528,0.7163148516208622,0.5226659413336989
EOS-3-08873,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnn5C)ncn4)n23)nc1,MESOXDGLICIZNL-UHFFFAOYSA-N,3,1,0.38,33,53,442.443,1.315,5,0.412,0.69,0.96,0.255080186416284,0.10312864094304708,0.06840689466109245,0.021254540470152836,0.1119675656226441
EOS-3-08874,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnc(C)nn6)cc5)n34)cn2)n1,MSOLAGJRFPYRHN-UHFFFAOYSA-N,3,1,0.314,98,150,446.478,3.508,6,0.404,0.71,1.0,0.0044976355287505996,0.0367521074635049,0.2332602289082311,0.20086011925159344,0.11884252278802002
EOS-3-08875,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)cn5)nn4)n23)cn1,CNJSRKJSRZNFEO-UHFFFAOYSA-N,3,1,0.442,4,617,457.429,2.116,5,0.407,0.7,1.0,0.5662137619080255,0.4142707833596052,0.16812589952710574,0.11770098005619903,0.3165778562127339
EOS-3-08876,FC(F)c1ncc(-c2ncc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)cn2)cn1,VRFRZCNVNHZMND-UHFFFAOYSA-N,3,1,0.292,50,489,437.801,3.691,5,0.419,0.71,1.0,0.3618240696319649,0.512327804811185,0.5259920498937701,0.5535518470289905,0.4884239428414776
EOS-3-08877,COc1nc(OCCC2CC2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,VZODOIQWNAWVNO-UHFFFAOYSA-N,3,1,0.337,63,686,471.521,3.328,6,0.395,0.84,0.998,0.16693509697758893,0.018898636145569185,0.010708656020834761,0.02628332533753684,0.05570642862038243
EOS-3-08879,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)cc1,NMLYUSKYNHVYPM-UHFFFAOYSA-N,3,1,0.333,10,871,436.414,3.03,6,0.414,0.69,0.714,0.02729422246590364,0.16697793160167226,0.3168648481940923,0.37834110067850046,0.22236952573504215
EOS-3-08880,COc1ccc(-c2nc(C)no2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,MPQYKRMWYWDHDY-UHFFFAOYSA-N,3,1,0.333,52,423,468.477,3.113,6,0.399,0.78,1.0,0.31120211089027483,0.13263313001165103,0.03956205880337194,0.033205400589404424,0.12915067507367556
EOS-3-08881,Cn1c(-c2cnc(Cl)cn2)nnc1-c1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,OSWJSSDBQRARBH-UHFFFAOYSA-N,3,1,0.408,22,311,442.245,3.49,5,0.422,0.7,0.975,0.2685388253032691,0.5035295730244671,0.3501473511068467,0.6035484202590639,0.43144104242341175
EOS-3-08882,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)cc(Cl)n1,TZDQWRYGVAHJIS-UHFFFAOYSA-N,3,1,0.42,54,565,434.822,3.41,5,0.387,0.76,1.0,0.7668682749640189,0.6837262696182578,0.6107018024809814,0.6218473716674663,0.6707859296826811
EOS-3-08883,COc1ccc(-c2cn(C)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ZQEHTDNXAJWJDC-UHFFFAOYSA-N,3,1,0.578,43,521,447.886,3.828,5,0.39,0.8,1.0,0.6369765608937016,0.7623620725104516,0.6373192378863684,0.5666849427729422,0.650835703515866
EOS-3-08884,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)nn1C,APRPZAQRJINEER-UHFFFAOYSA-N,3,1,0.352,38,865,436.439,3.007,6,0.41,0.71,1.0,0.1369251593448016,0.09035535604139538,0.05478548420259064,0.05148721814817353,0.08338830443424029
EOS-3-08885,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cnccn4)n23)cc1,PKIGKSXXNZOKIR-UHFFFAOYSA-N,3,1,0.275,86,495,434.427,1.896,6,0.404,0.71,1.0,0.06285552737989171,0.047315125762456306,0.03681207593722158,0.055590775135357415,0.05064337605373176
EOS-3-08886,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C(F)(F)c5ccc(F)nc5)nc4)n23)cc1,WWAVQNYWUUQSKB-UHFFFAOYSA-N,3,1,0.376,74,333,476.422,3.282,5,0.388,0.83,0.998,0.3386248372284285,0.3763364402714002,0.8745202522102666,0.7025820711397437,0.5730159002124597
EOS-3-08887,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cc1F,FAWWEUHMNGJPEJ-UHFFFAOYSA-N,3,1,0.329,25,791,439.414,3.443,6,0.411,0.72,1.0,0.3112106778150915,0.3425142210951957,0.40921629771777124,0.46658899321499553,0.3823825474607635
EOS-3-08888,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)nc(Cl)n4)n23)cc1,BPKMYQMJNIJKHA-UHFFFAOYSA-N,3,1,0.495,66,12,477.834,3.582,4,0.423,0.81,0.999,0.6913679665547255,0.745356726749366,0.8115362209581248,0.582576588307861,0.7077093756425193
EOS-3-08889,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(Cl)c5)ns4)n23)cc1,ZMMTXAKFFUPDHC-UHFFFAOYSA-N,3,1,0.415,62,837,465.901,4.129,5,0.428,0.8,1.0,0.23351723665273114,0.3856572544719348,0.4845367007059146,0.5171852511822356,0.40522411075320397
EOS-3-08890,Cc1cc(-c2ncc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)cn2)ccn1,JERHYHUUFUHWDE-UHFFFAOYSA-N,3,1,0.302,94,459,444.462,3.471,6,0.402,0.72,1.0,0.11511376876156534,0.054691248029607294,0.1978959632650264,0.17898876019464052,0.13667243506270987
EOS-3-08891,Cn1cc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ncc(F)cn6)cn5)n34)cn2)cn1,HVBNQZQQJVWKIG-UHFFFAOYSA-N,3,1,0.241,86,249,440.406,1.764,6,0.402,0.67,1.0,0.00786443698170105,0.05469981495442396,0.11118155027071483,0.120048317455966,0.07344852991570146
EOS-3-08892,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnn(C)c5-c5ccc(F)cc5)n34)nn2)cn1,CGPUMTZQRISCKU-UHFFFAOYSA-N,3,1,0.382,98,63,452.457,3.188,6,0.405,0.72,1.0,0.1287009115208005,0.26217360016448493,0.34222294565142897,0.38139949283805086,0.2786242375436913
EOS-3-08893,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nc1,DOTHJQAOQXTOAE-UHFFFAOYSA-N,3,1,0.295,98,356,452.417,2.035,6,0.39,0.7,1.0,0.16974504831745596,0.24192138989788226,0.07715372489891029,0.15455589061750394,0.1608440134329381
EOS-3-08894,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cc1,QBGLAZPWSMLZBT-UHFFFAOYSA-N,3,1,0.301,42,369,432.451,3.106,6,0.418,0.71,1.0,0.04752073195805634,0.03061818929477075,0.23662703036118155,0.2420156260708656,0.13919539442121856
EOS-3-08895,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccncc5)ncn4)n23)cc1,RGDHRDNPCXXADT-UHFFFAOYSA-N,3,1,0.321,38,882,432.451,3.106,6,0.418,0.71,1.0,0.050776163388390104,0.018907203070385854,0.2724539099444863,0.262816119525735,0.15123834898224933
EOS-3-08896,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)cn2)cn1,BWLHLBHVFLEYLM-UHFFFAOYSA-N,3,1,0.283,94,892,432.451,3.106,6,0.418,0.71,1.0,0.05928311973134124,0.06255568501130834,0.24735282023164964,0.24202419299568226,0.15280395449249537
EOS-3-08897,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)c5)nn4)n23)cc1,OYOFDKBMOCPVMQ-UHFFFAOYSA-N,3,1,0.577,34,372,450.289,4.529,5,0.389,0.84,1.0,0.8530686724693304,0.962605373175245,0.6341237749297512,0.7944966074977726,0.8110736070180248
EOS-3-08898,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(C(=O)O)c(F)c4)n23)c1,GLXFSFPXILUOHH-UHFFFAOYSA-N,3,1,0.333,50,859,417.364,1.881,5,0.464,0.76,1.0,0.1394267013912686,0.09352511822356246,0.21520971831951202,0.20405558220821055,0.1630542800356384
EOS-3-08899,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nc(C)ncc5F)c4)n23)nc1,AMQZYKOBQRCXOQ-UHFFFAOYSA-N,3,1,0.426,46,348,427.443,3.978,5,0.419,0.79,1.0,0.7311356315536974,0.577676307312727,0.505028784867384,0.42240936193543965,0.559062521417312
EOS-3-08900,c1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)cn2)cc1,PAZVJGOHOSUWNY-UHFFFAOYSA-N,3,1,0.324,42,106,428.459,4.372,6,0.411,0.83,1.0,0.12305530806661641,0.10966520457816462,0.46728291412514567,0.5038208484682338,0.3009560688095401
EOS-3-08901,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)nc2)c1,ZPKOLCRPDQMFFH-UHFFFAOYSA-N,3,1,0.31,10,952,437.402,2.425,6,0.409,0.69,0.957,0.004874580220683983,0.11557638270166541,0.13111678431910082,0.24203275992049894,0.12340012679048729
EOS-3-08902,Cn1nncc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3)n12,XKASDAZIOYPMFV-UHFFFAOYSA-N,3,1,0.262,99,866,437.431,1.234,6,0.395,0.71,1.0,0.02490405044205332,0.03676067438832157,0.01285895414981838,0.016748338016585568,0.02281800424919471
EOS-3-08903,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nc(C)n2)cn1,VSGIOYYFCPNIIO-UHFFFAOYSA-N,3,1,0.56,44,500,445.433,4.117,5,0.402,0.78,1.0,0.8191179494208759,0.6690768281817558,0.7219261873757796,0.6508721129463367,0.715248269481187
EOS-3-08904,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnn5)c4)n23)cc1,WYCDQKREAMCGDM-UHFFFAOYSA-N,3,1,0.469,89,707,471.456,2.317,5,0.362,0.78,1.0,0.38480056199026796,0.09036392296621205,0.23663559728599823,0.1493814680282366,0.21529538756767871
EOS-3-08905,O=C(NC1CCOC1)c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)nc1,BBSFPXKMGWPAAU-UHFFFAOYSA-N,3,1,0.261,33,432,465.477,2.224,6,0.415,0.72,0.999,0.11782948392844904,0.0031183606332670826,0.03682064286203824,0.054065862517990546,0.05295858748543622
EOS-3-08907,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccnc(F)c4)n23)nc1,QFHNBAXCIDLKEE-UHFFFAOYSA-N,3,1,0.277,33,432,454.429,2.132,6,0.396,0.69,0.547,0.18100198752655747,0.15137756151052018,0.06037968610787472,0.1177095469810157,0.127617195531492
EOS-3-08908,Cc1nc(-c2cncc(C#N)c2)cc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4C)n23)n1,HLGZECFAXRGIKI-UHFFFAOYSA-N,3,1,0.299,74,333,447.462,2.898,5,0.442,0.67,0.984,0.1669436639024056,0.06993180727845932,0.3802686587622507,0.2805239531217874,0.22441702076622577
EOS-3-08909,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)cc1Cl,UMUGYZVXABDZOI-UHFFFAOYSA-N,3,1,0.538,51,756,451.277,3.924,5,0.396,0.77,1.0,0.831831265848811,0.9432955246384758,0.6107103694057981,0.683023781783291,0.767215235419094
EOS-3-08911,Fc1cc(-c2cccnn2)ncc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,GNFFXQPQLVARKZ-UHFFFAOYSA-N,3,1,0.6,34,389,433.834,4.015,5,0.413,0.76,1.0,0.9406654787197588,0.9571910766911109,0.7682903844835858,0.8053851689397574,0.8678830272085533
EOS-3-08912,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)n(C)n1,NMDMATAQDDIQCV-UHFFFAOYSA-N,3,1,0.585,36,659,433.863,2.918,5,0.416,0.73,1.0,0.6884380782674251,0.7583013501473511,0.12821259680625044,0.18986875471180864,0.44120519498320876
EOS-3-08913,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)c5)n34)cn2)ccn1,UNECBJOYJSGWAT-UHFFFAOYSA-N,3,1,0.306,42,727,436.414,3.235,6,0.418,0.72,1.0,0.2444143650195326,0.2879857446371051,0.5050373517922007,0.5370690836817216,0.39362663628264
EOS-3-08914,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cn1,HBIOFXOGSUCABW-UHFFFAOYSA-N,3,1,0.303,98,219,453.445,2.583,6,0.4,0.71,1.0,0.18651908710849155,0.28799431156192173,0.24380611335754918,0.27158865053800285,0.24747704064149134
EOS-3-08916,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cnc1F,ZEKDGCMCLWGJDE-UHFFFAOYSA-N,3,1,0.341,52,582,465.492,4.255,6,0.39,0.88,1.0,0.16975361524227264,0.18382050579124118,0.4459084367075595,0.45721677746556094,0.31417483380165856
EOS-3-08917,Fc1ccnc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(F)F)nn5)n34)cn2)c1,PQUPTEFNJRFDGL-UHFFFAOYSA-N,3,1,0.402,85,362,435.373,3.101,5,0.415,0.69,1.0,0.3237697895963265,0.4585874854362278,0.4311304913988075,0.4507915838530601,0.41606983757110544
EOS-3-08918,CNC(=O)c1ccc(-c2nnc3cncc(Cc4c(F)cc(-c5nnn(C)n5)cc4F)n23)cn1,HJSXDWZZNRPABS-UHFFFAOYSA-N,3,1,0.374,85,784,462.424,1.605,5,0.417,0.7,1.0,0.21422452196559524,0.27242820917003635,0.16813446645192243,0.14699129600438626,0.20044462339798508
EOS-3-08919,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(C(F)(F)C(F)(F)F)nn4)n23)cn1,QQJZXIORYIKFDM-UHFFFAOYSA-N,3,1,0.341,68,455,477.357,2.585,5,0.435,0.8,0.999,0.20601740799122747,0.26730518812966897,0.6659841683229388,0.5885905695291618,0.43197433349324926
EOS-3-08920,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4ncnc(-c5cccnn5)n4)n23)c1,OXOQERVRPHAVIR-UHFFFAOYSA-N,3,1,0.333,94,136,449.413,2.696,6,0.395,0.71,0.665,0.2142330888904119,0.3032777054348571,0.1586423137550545,0.2420413268453156,0.2295486087314098
EOS-3-08921,CCOC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnc(C)nn5)c4)n23)cc1,WTEVMOTUQBWNGF-UHFFFAOYSA-N,3,1,0.306,74,333,438.451,3.19,5,0.381,0.78,1.0,0.16438215338222192,0.09353368514837913,0.18432595435542456,0.10825166198341443,0.13762336371736
EOS-3-08922,COc1ccc(F)c(-c2nnc3cncc(-c4nnc(-c5c(F)cccc5F)n4C)n23)c1,FPPQSKIEEHVAMT-UHFFFAOYSA-N,3,1,0.367,22,252,437.385,3.68,5,0.427,0.76,0.999,0.2685473922280858,0.4990405044205332,0.6494671372764033,0.7137105064765952,0.5326913851004044
EOS-3-08923,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)nc2)nn1,FIASVALBLCGCQH-UHFFFAOYSA-N,3,1,0.34,74,768,415.392,1.887,5,0.474,0.79,1.0,0.12306387499143308,0.15540401617435406,0.2877201699677884,0.25376944691933384,0.20498937701322734
EOS-3-08924,c1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nc2)c1,XELUBLFRRNSCSP-UHFFFAOYSA-N,3,1,0.326,42,106,429.447,3.767,6,0.417,0.77,1.0,0.14774518538825304,0.13264169693646768,0.38411520800493454,0.4062435748063875,0.2676864162840107
EOS-3-08925,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cc1,QSJNDNYGGRNYNT-UHFFFAOYSA-N,3,1,0.311,98,42,434.467,3.049,6,0.42,0.71,1.0,0.1257196216846001,0.04352854499348914,0.18433452128024125,0.1678260571585224,0.13035218627921322
EOS-3-08926,CC1(NC(=O)c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c(F)c2)CC1,JSTNIQXNWUSDII-UHFFFAOYSA-N,3,1,0.528,63,133,467.892,3.278,5,0.444,0.75,1.0,0.5089010348845179,0.427686587622507,0.10335994791309712,0.21592934000411212,0.3139692276060585
EOS-3-08927,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c(F)c2)n1,KUSDQXQSLSZUHS-UHFFFAOYSA-N,3,1,0.333,25,791,449.453,3.85,6,0.403,0.77,1.0,0.20064594613117676,0.30328627235967376,0.44950654513055993,0.5140069220752519,0.3668614214241656
EOS-3-08928,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)c1,BOPAAPJLOUMJRT-UHFFFAOYSA-N,3,1,0.3,10,748,454.404,3.169,6,0.399,0.71,0.715,0.012816119525735041,0.12230141868274964,0.32764203961346033,0.5001627715715167,0.24073058734836542
EOS-3-08930,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncc4F)n23)cc1,UCOCSYNANYSHHR-UHFFFAOYSA-N,3,1,0.537,73,665,431.406,3.809,5,0.418,0.75,1.0,0.9406740456445755,0.8452984716606127,0.6824155301213076,0.6480107600575697,0.7790997018710164
EOS-3-08931,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)ccn2)nn1,OKHQEMGWJMGXPL-UHFFFAOYSA-N,3,1,0.53,24,16,431.406,3.809,5,0.418,0.75,1.0,0.6642879172092385,0.6164330751833322,0.729550750462614,0.6997806867246933,0.6775131073949695
EOS-3-08932,Cc1ccnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)nn2C)n1,FVBJTJXWBQSGNQ-UHFFFAOYSA-N,3,1,0.506,95,956,436.838,3.875,5,0.422,0.8,1.0,0.4384723459666918,0.4632564594613118,0.4126345007196217,0.469647385374546,0.4460026728805428
EOS-3-08933,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)n1,BLWDVNUPKCSTEK-UHFFFAOYSA-N,3,1,0.329,3,973,452.869,3.544,6,0.399,0.74,1.0,0.0742495373860599,0.2365327941881982,0.20126276471797683,0.3394729627852786,0.2128795147693784
EOS-3-08934,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)nc1,CHZYIJCDDDLMFO-UHFFFAOYSA-N,3,1,0.597,27,412,447.405,4.345,5,0.379,0.84,1.0,0.9313960660681242,0.8667329175519156,0.7750411212391201,0.665101775066822,0.8095679699814955
EOS-3-08935,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5(C)CC5)cc4)n23)cc1,OYPSNYXFWABGQB-UHFFFAOYSA-N,3,1,0.33,62,302,449.518,4.141,6,0.436,0.82,1.0,0.1865276540333082,0.05086183263655678,0.24736138715646633,0.2985658967856898,0.19582919265300527
EOS-3-08936,OCc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)ccc1Cl,FQBSFKWFBPIAEH-UHFFFAOYSA-N,3,1,0.528,4,850,445.87,3.368,5,0.423,0.74,1.0,0.6517116715783702,0.80049345486944,0.6987098211226098,0.6769755328627236,0.706972620108286
EOS-3-08937,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)cn5)ncn4)n23)nc1,VJGRVICWKRFRJE-UHFFFAOYSA-N,3,1,0.388,46,128,443.402,1.855,5,0.415,0.68,0.983,0.48638715646631486,0.2419299568226989,0.2152182852443287,0.16524741278870536,0.277195702830512
EOS-3-08938,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)cnn4)n23)cc1,OQYCPJIVSUCJGU-UHFFFAOYSA-N,3,1,0.527,89,731,443.402,1.855,5,0.415,0.68,1.0,0.5744380097320266,0.2933914741964225,0.22572133506956343,0.16270303611815504,0.3140634637790419
EOS-3-08939,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)n(C)n1,BVZDSLMTZCROHY-UHFFFAOYSA-N,3,1,0.472,62,637,465.517,4.185,6,0.404,0.85,1.0,0.39377869919813585,0.1882581728462751,0.24381468028236583,0.2214721403604962,0.2618309231718182
EOS-3-08940,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,IRQGSOQAMJEVNS-UHFFFAOYSA-N,3,1,0.309,8,754,447.466,2.984,6,0.392,0.75,0.999,0.07844733054622713,0.05869200191899116,0.029341717497087246,0.0434857103694058,0.05249169008292783
EOS-3-08941,CCc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)ccn1,PRVHERDUYZMKFS-UHFFFAOYSA-N,3,1,0.482,18,840,423.48,3.827,5,0.393,0.85,1.0,0.4838770474950312,0.3810311150709341,0.3726869302994997,0.30166712356932357,0.38481555410869717
EOS-3-08942,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cc2)nn1,DQCRUMKFUYNEAK-UHFFFAOYSA-N,3,1,0.3,98,882,435.455,2.444,6,0.414,0.69,1.0,0.05749263244465767,0.0435371119183058,0.13112535124391747,0.13083407580015077,0.09074729285175792
EOS-3-08943,Fc1ccc(-c2nnc3cncc(Cc4cc(-c5nn[nH]n5)cc(C(F)(F)F)c4)n23)c(F)c1,KRYYPSLEOJFGPN-UHFFFAOYSA-N,3,1,0.381,22,225,458.354,3.859,5,0.411,0.79,1.0,0.5347131793571379,0.6690853951065725,0.985479062435748,0.9774946885066137,0.791693081351518
EOS-3-08944,Cc1cncc(-c2nc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)ccc2F)c1,GBLCBUIMENIIPA-UHFFFAOYSA-N,3,1,0.37,96,140,443.417,3.601,5,0.454,0.66,1.0,0.22543005962579674,0.2520560619560003,0.6771383044342403,0.6334469878692345,0.44701785347131795
EOS-3-08945,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)c1,YUDUEAHCYMNQBD-UHFFFAOYSA-N,3,1,0.275,64,495,432.451,3.106,6,0.418,0.74,1.0,0.057501199369474336,0.011908025495168255,0.1494842711260366,0.1927558083750257,0.10291232609142623
EOS-3-08946,CCn1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)n1,FVEMNRIMEGZEMU-UHFFFAOYSA-N,3,1,0.308,25,791,448.494,3.532,6,0.397,0.75,1.0,0.08067473099856076,0.06256425193612501,0.16496470426975532,0.1760160372832568,0.12105493112192448
EOS-3-08947,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cn1,SUARGQOTUUTPPX-UHFFFAOYSA-N,3,1,0.298,70,812,432.451,3.106,6,0.418,0.74,1.0,0.10207490919059695,0.06994037420327599,0.21522685216914536,0.19276437529984236,0.14500162771571518
EOS-3-08948,COc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3cnc(-c4cccnc4)nc3)n12,DQVOGIUNAOGBGP-UHFFFAOYSA-N,3,1,0.329,42,213,463.465,2.509,6,0.375,0.77,1.0,0.1477537523130697,0.058700568843807824,0.11717839764238229,0.0997447056404633,0.10584435610993077
EOS-3-08949,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)c1,LSNSJTISENSDOW-UHFFFAOYSA-N,3,1,0.259,39,527,434.427,1.989,6,0.405,0.71,0.99,0.005756973476800768,0.007213350695634295,0.01834178603248578,0.030052772256870672,0.01534122061544788
EOS-3-08950,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cn2)nc1,WREZHEJFKZEVQU-UHFFFAOYSA-N,3,1,0.321,86,151,437.402,2.425,6,0.409,0.7,0.999,0.020714824206702762,0.14741964224521967,0.2984973613871565,0.33948152971009526,0.20152833938729353
EOS-3-08952,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1,VELRMMAFEASUQB-UHFFFAOYSA-N,3,1,0.301,38,608,431.463,3.711,6,0.419,0.75,1.0,0.06286409430470838,0.06994894112809266,0.38027722568706734,0.3394900966349119,0.2131450894386951
EOS-3-08953,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)nn1,PRLYRESYGUOXPU-UHFFFAOYSA-N,3,1,0.33,98,507,452.417,2.035,6,0.39,0.71,0.354,0.12307244191624975,0.272436776094853,0.0705743266397094,0.14699986292920295,0.15327085189500378
EOS-3-08954,COc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,GNYCLVPCUQOETA-UHFFFAOYSA-N,3,1,0.349,30,158,447.462,3.505,6,0.395,0.77,1.0,0.08719416078404496,0.09037248989102871,0.2012713316427935,0.21593790692892878,0.14869397231169898
EOS-3-08955,CCn1nc(-c2nccs2)nc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3F)n12,DPCRNBFSHMCSLS-UHFFFAOYSA-N,3,1,0.374,74,333,435.448,2.431,5,0.449,0.67,0.88,0.07044582276745939,0.23168391474196423,0.016636967993968885,0.019652525529435954,0.08460480775820713
EOS-3-08956,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccc(CO)c5)cn4)n23)cc1,PFUSVUKHXDALPL-UHFFFAOYSA-N,3,1,0.409,62,637,452.474,3.498,5,0.405,0.82,1.0,0.7189277636899458,0.33250805290932767,0.6466143513124529,0.4634106641080118,0.5403652080049346
EOS-3-08957,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cc2)n(C)n1,FHHLLEZQGQMWSZ-UHFFFAOYSA-N,3,1,0.351,9,498,446.478,3.414,6,0.405,0.74,1.0,0.09227434720032897,0.02553800287848674,0.10071276814474676,0.13310431087656774,0.08790735727503254
EOS-3-08958,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnnc(-c5cccnc5F)c4)n23)cn1,BJLQNCIUHFWIPO-UHFFFAOYSA-N,3,1,0.402,85,290,427.403,1.867,5,0.42,0.69,1.0,0.18653622095812486,0.16698649852648892,0.20492084161469398,0.18702453567267494,0.18636702419299567
EOS-3-08959,COc1cc(-c2cnc(C)cn2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3C)n12,ZOJQMRSFILHLQQ-UHFFFAOYSA-N,3,1,0.321,62,697,451.49,3.64,5,0.433,0.74,0.854,0.2956959769721061,0.08063189637447742,0.44591700363237613,0.2537780138441505,0.26900572270577755
EOS-3-08960,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4F)n23)cc1,AZKCYOTYSUFNES-UHFFFAOYSA-N,3,1,0.352,62,341,467.464,4.072,6,0.401,0.87,1.0,0.4408111164416421,0.4369560002741416,0.39874751559180316,0.4001010897128367,0.4191539305051059
EOS-3-08961,Clc1ccnc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)c1,OTLLNMOGTZJZLI-UHFFFAOYSA-N,3,1,0.338,8,927,453.857,2.939,6,0.396,0.73,1.0,0.02851072578987047,0.1669950654513056,0.11401720238503187,0.21594647385374546,0.13136736686998834
EOS-3-08962,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cc1F,YCAIJRMUEOTYNT-UHFFFAOYSA-N,3,1,0.464,4,788,474.431,2.86,5,0.399,0.8,1.0,0.5347217462819547,0.4048043314371873,0.5564474676170242,0.4508001507778768,0.48669342402851073
EOS-3-08963,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nn1,CTDZHMCSZXBJRF-UHFFFAOYSA-N,3,1,0.319,70,887,432.451,3.106,6,0.418,0.72,1.0,0.05403159481872387,0.02779967103008704,0.1843430882050579,0.19793023096429305,0.11602614625454047
EOS-3-08964,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cn1,SUBOJLPZWJGEIN-UHFFFAOYSA-N,3,1,0.305,86,459,432.451,3.106,6,0.418,0.72,1.0,0.14221095195668562,0.05087039956137345,0.1843516551298746,0.1789973271194572,0.1391075834418477
EOS-3-08965,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cn1,BNWMHUCVZXVQEE-UHFFFAOYSA-N,3,1,0.289,98,522,432.451,3.106,6,0.418,0.72,1.0,0.10706942635871428,0.05087896648619012,0.23326879583304777,0.24482557741073263,0.1590106915221712
EOS-3-08966,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nn2)cn1,LEDGOAIZMHRKCO-UHFFFAOYSA-N,3,1,0.357,3,783,437.442,3.579,6,0.419,0.72,1.0,0.014289630594201906,0.18382907271605783,0.5627698581317251,0.6189517510794326,0.34496007813035434
EOS-3-08967,Cc1cc(-c2cc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)ncn1,PCOIJUZSPRUVAX-UHFFFAOYSA-N,3,1,0.448,55,283,457.429,2.164,5,0.405,0.72,0.999,0.5550681927215406,0.3617726680830649,0.2509337948050168,0.16525597971352204,0.33325765883078606
EOS-3-08968,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)c(F)c2)n1,HUOZVDPSQNNFJO-UHFFFAOYSA-N,3,1,0.488,16,772,432.394,3.204,5,0.417,0.74,1.0,0.8219107669111095,0.7753152628332534,0.6136059899938319,0.585540744294428,0.6990931910081557
EOS-3-08969,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cn(C)nn5)cn4)n23)cc1F,VEVZDZMVXHPEHN-UHFFFAOYSA-N,3,1,0.443,92,408,460.433,1.454,5,0.399,0.72,1.0,0.3755911178123501,0.3133866767185251,0.1404118977451854,0.08444417791789459,0.2284584675484888
EOS-3-08970,Cn1ncnc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,PEYUDRWIUIXRCP-UHFFFAOYSA-N,3,1,0.523,89,926,427.428,1.66,5,0.432,0.71,0.99,0.3732609142622164,0.11558494962648208,0.13402953875676787,0.06616236035912548,0.17225944075114796
EOS-3-08971,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cc2)n(C)n1,HQCLQPLXHUZEQL-UHFFFAOYSA-N,3,1,0.3,98,373,449.482,2.753,6,0.403,0.7,1.0,0.15891645534918786,0.09038105681584538,0.10591289150846413,0.09761154136111301,0.1132054862586526
EOS-3-08972,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)nc1,UIVQGXPJKVJUIZ-UHFFFAOYSA-N,3,1,0.286,70,957,431.463,3.711,6,0.419,0.77,1.0,0.041815160030155576,0.023164964704269757,0.42754951682544035,0.4030823795490371,0.22390300527722568
EOS-3-08973,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,ONWUUDLYYFLIEP-UHFFFAOYSA-N,3,1,0.357,30,474,431.463,3.711,6,0.419,0.77,1.0,0.08068329792337743,0.07712802412446028,0.13113391816873415,0.20086868617641013,0.1224534815982455
EOS-3-08974,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1,HUJWTAOBIBAYFJ-UHFFFAOYSA-N,3,1,0.286,70,957,431.463,3.711,6,0.419,0.77,1.0,0.041823726954972246,0.023173531629086423,0.427558083750257,0.40309094647385374,0.22391157220204233
EOS-3-08975,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cn2)cc1,BZCRCLMQGNRLDZ-UHFFFAOYSA-N,3,1,0.327,62,302,464.504,4.86,6,0.402,0.89,1.0,0.21710300870399563,0.27244534301966966,0.5627784250565417,0.6275358097457336,0.41996564663148517
EOS-3-08976,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c(F)c2)nn1,NNJIVQZJMICYCQ-UHFFFAOYSA-N,3,1,0.327,52,204,466.48,3.65,6,0.421,0.74,0.995,0.18101055445137412,0.23654136111301488,0.2186450551709958,0.2835652114317045,0.2299405455417723
EOS-3-08978,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)ccn2)n1,GHABHNCINJDBHS-UHFFFAOYSA-N,3,1,0.268,70,957,433.439,2.501,6,0.412,0.72,1.0,0.03329963676238777,0.011916592419984922,0.11718696456719896,0.14202247961071893,0.07610641834007265
EOS-3-08979,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1,FUQWWXSDMXJXCX-UHFFFAOYSA-N,3,1,0.284,25,213,437.492,3.772,6,0.414,0.74,1.0,0.02604345144267014,0.06257281886094168,0.21196285381399493,0.28639229662120486,0.14674285518470292
EOS-3-08980,Cn1ncc(-c2nnc3cncc(-c4nnc(-c5cccnc5)n4C)n23)c1-c1ccc(F)cc1,GDROKZDZODUOPX-UHFFFAOYSA-N,3,1,0.35,8,474,452.457,3.188,6,0.405,0.73,1.0,0.07045438969227606,0.27750839558632034,0.15537831539990404,0.25378658076896715,0.18928192036186692
EOS-3-08981,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(Cl)c(F)c4)n23)cc1,TZQCUWGBQZPTEL-UHFFFAOYSA-N,3,1,0.402,62,3,458.884,4.672,5,0.423,0.82,1.0,0.2930059625796724,0.40481289836200396,0.8280532520046604,0.811870331025975,0.584435610993078
EOS-3-08983,CCOc1ccc(CC)cc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3)n12,RDNOMWAQLSELIF-UHFFFAOYSA-N,3,1,0.391,61,917,426.484,3.61,5,0.409,0.87,1.0,0.13163079980810088,0.06995750805290933,0.24027654033308204,0.17900589404427386,0.15521768555959153
EOS-3-08984,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,UKSYTHZXUGEFKV-UHFFFAOYSA-N,3,1,0.347,3,668,419.452,3.44,6,0.435,0.8,1.0,0.011137002261668152,0.015805976286752108,0.3240867658145432,0.3394986635597286,0.17263210198067303
EOS-3-08985,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,BMUFCKRTXJIHJZ-UHFFFAOYSA-N,3,1,0.326,62,302,452.453,3.151,6,0.436,0.66,1.0,0.1896374477417586,0.11887464875608252,0.6771468713590569,0.6068552532382976,0.3981285552737989
EOS-3-08986,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)c2)n1,BOGCIQFIJBYIDM-UHFFFAOYSA-N,3,1,0.324,25,745,435.455,2.444,6,0.414,0.7,1.0,0.10707799328353095,0.06258138578575835,0.1059214584332808,0.12005688438078267,0.0989094304708382
EOS-3-08987,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncn(C)n6)cc5)n34)nc2)nn1,BJNYTUGEUWKSDL-UHFFFAOYSA-N,3,1,0.293,98,882,435.455,2.444,6,0.414,0.7,1.0,0.047529298882873,0.05088753341100678,0.13731923788636832,0.11537934343088205,0.08777885340278255
EOS-3-08988,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cc1,SRIBVQYYWUSETR-UHFFFAOYSA-N,3,1,0.299,30,342,430.435,3.162,6,0.415,0.73,0.53,0.11783805085326571,0.040016105818655334,0.12294393804399972,0.1870331025974916,0.1169577993283531
EOS-3-08989,c1cncc(-c2ncc(-c3nnc4cncc(-c5cccc(-c6ccnnc6)n5)n34)cn2)c1,WAELNCJJVKUXPC-UHFFFAOYSA-N,3,1,0.299,94,989,430.435,3.162,6,0.415,0.73,1.0,0.12308100884106642,0.09669488040572956,0.2509423617298335,0.27159721746281956,0.18557886710986227
EOS-3-08991,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c(F)c1,DBMFKCWMFUSMLG-UHFFFAOYSA-N,3,1,0.361,61,336,415.392,1.887,5,0.474,0.78,1.0,0.22832568021383046,0.2316924816667809,0.20492940853951067,0.19793879788910973,0.21572159207730793
EOS-3-08992,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5nnco5)c4)n23)nc1,HFNKCTXHYHTRGJ-UHFFFAOYSA-N,3,1,0.444,54,348,448.83,2.568,5,0.413,0.69,1.0,0.5370947844561716,0.36178123500788156,0.32048865739154275,0.2924148447673223,0.3779448804057296
EOS-3-08993,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccn6)c5)n34)cn2)cn1,WTHHCQDKUOXPQM-UHFFFAOYSA-N,3,1,0.303,42,151,436.414,3.03,6,0.388,0.75,0.999,0.00981769583990131,0.13621410458501818,0.357592008772531,0.3685748063874991,0.21804965389623743
EOS-3-08994,Cc1nc(-c2ccc(F)cc2F)c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1C,OJSBKNAUGZYOFM-UHFFFAOYSA-N,3,1,0.421,62,837,445.433,3.544,5,0.456,0.7,0.997,0.24738708793091632,0.31339524364334176,0.5159516140086354,0.49383181413199917,0.39264143992872313
EOS-3-08995,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5csnn5)cn4)n23)cc1,SJWNHKRAJVBJKG-UHFFFAOYSA-N,3,1,0.441,89,943,471.506,2.571,6,0.38,0.8,1.0,0.27913611130148724,0.12230998560756631,0.04104413679665547,0.04753786580768967,0.12250702487834966
EOS-3-08996,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cc1,DPIYVXKEHNNUQH-UHFFFAOYSA-N,3,1,0.32,3,158,420.44,2.835,6,0.432,0.78,1.0,0.019686793228702624,0.03381365225138784,0.13403810568158453,0.17057604002467275,0.08952864779658694
EOS-3-08997,Cc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)nn1C,ZXLJLXZKTRVTIA-UHFFFAOYSA-N,3,1,0.406,33,53,441.455,1.968,5,0.422,0.68,0.999,0.17499657323007334,0.08414433554931122,0.1111901171955315,0.043494277294222464,0.10345632581728463
EOS-3-08998,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nc4)n23)cc1,GUPLVRPVSAOMRR-UHFFFAOYSA-N,3,1,0.529,89,656,468.542,4.386,6,0.381,0.9,1.0,0.42479096703447333,0.13265026386128434,0.29850592831197315,0.29544753615242275,0.28784867384003837
EOS-3-08999,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cc4)n23)c1,BMPZJXSRENKBIS-UHFFFAOYSA-N,3,1,0.354,69,152,434.438,4.445,6,0.44,0.77,1.0,0.2791446782263039,0.36663868137893224,0.7038242752381605,0.7584469878692345,0.5270136556781578
EOS-3-09000,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ncccc5-c5ccccc5)n34)n2)cc1,DHDGKMFKNWYNNV-UHFFFAOYSA-N,3,1,0.295,30,298,434.438,4.24,6,0.413,0.78,0.996,0.027302789390720308,0.14365876225070248,0.4495151120553766,0.5825851552326777,0.30076545473236926
EOS-3-09001,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cn1,HHNHZLJZOIVOBY-UHFFFAOYSA-N,3,1,0.654,84,73,431.887,3.862,5,0.406,0.78,1.0,0.7280943732437805,0.7453652936741827,0.47065828250291275,0.5001713384963333,0.6110723219793024
EOS-3-09002,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4F)n23)cn1,OCOAYKRZMHMJRH-UHFFFAOYSA-N,3,1,0.457,36,258,460.433,1.454,5,0.399,0.77,1.0,0.5063652251387842,0.44552292509080943,0.12295250496881639,0.07929545610307724,0.28853402782537185
EOS-3-09003,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)nn1,XGYGWRGIFQAYQK-UHFFFAOYSA-N,3,1,0.271,10,195,451.881,4.149,6,0.397,0.78,0.432,0.006639366732917552,0.08736549928037832,0.4706668494277294,0.5535604139538072,0.27955803234870813
EOS-3-09004,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)c1,YWRIMIIBOYSIDF-UHFFFAOYSA-N,3,1,0.259,39,972,446.478,3.414,6,0.405,0.72,0.969,0.09002124597354534,0.021048934274552806,0.1311424850935508,0.14939003495305325,0.09790067507367556
EOS-3-09005,Cn1cc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5cc(F)ccn5)n34)cn2)cn1,BNPOBRJOYOVNGE-UHFFFAOYSA-N,3,1,0.26,86,151,439.418,2.369,6,0.411,0.68,1.0,0.008404153245151121,0.09038962374066205,0.26518915769995205,0.2864008635460215,0.16259594955794668
EOS-3-09006,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)o1,OZEXWUZQPAMLOE-UHFFFAOYSA-N,3,1,0.313,38,725,435.451,3.612,6,0.413,0.76,1.0,0.13943526831608527,0.08064046329929409,0.24382324720718251,0.20689980124734425,0.16769969501747653
EOS-3-09007,CCc1cc(-c2nnc3cncc(Cc4cnc(C5CC5)cn4)n23)ccc1C(=O)NC,CPLIOFSAYNDXCS-UHFFFAOYSA-N,3,1,0.367,63,5,413.485,2.972,5,0.522,0.79,1.0,0.17500514015489,0.069966074977726,0.04905421150023987,0.04618429168665616,0.085052429579878
EOS-3-09008,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cnc(-c4ccnc(F)c4)cn3)n12,JPQCLCXYVRNCGA-UHFFFAOYSA-N,3,1,0.35,74,155,426.415,2.857,5,0.438,0.71,1.0,0.13944383524090193,0.20195668562812694,0.4495236789801933,0.3718045370433829,0.2906821842231513
EOS-3-09009,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnn5)cn4)n23)cc1,HSPBDOFUESQSQP-UHFFFAOYSA-N,3,1,0.605,51,946,449.381,2.614,5,0.366,0.73,1.0,0.7978462751010897,0.7313755054485642,0.5887533411006785,0.5140154890000685,0.6579976526626002
EOS-3-09010,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)c(C)c5)n34)c2)nn1,HKQJQAYMUHLPFY-UHFFFAOYSA-N,3,1,0.416,14,18,443.898,4.493,5,0.395,0.85,1.0,0.48133267082448083,0.5169453772873689,0.6167757521759989,0.6005756973476801,0.5539073744088822
EOS-3-09011,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nn4)n23)ccc1Cl,LOTSQUJNDYHDKR-UHFFFAOYSA-N,3,1,0.536,4,391,434.822,3.41,5,0.414,0.72,1.0,0.8271708587485436,0.9347971352203414,0.5050459187170173,0.5666935096977589,0.7084268555959153
EOS-3-09012,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)cc3F)n12,GOAWSDSZZNUOGK-UHFFFAOYSA-N,3,1,0.558,35,386,431.406,3.543,5,0.406,0.77,1.0,0.9184600095949558,0.9007007744500034,0.7564765951614009,0.7482095127133165,0.8309617229799191
EOS-3-09013,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)cn5)c4)n23)cn1,KIAJRKQRSOIBRP-UHFFFAOYSA-N,3,1,0.506,59,109,431.406,3.809,5,0.418,0.79,1.0,0.853077239394147,0.8084521280241245,0.7904530189843054,0.7268864368446303,0.7947172058118018
EOS-3-09014,Cc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cccc(-c4cnn(C)c4)n3)n12,ZHSZOGDSJKSMRU-UHFFFAOYSA-N,3,1,0.28,52,974,451.494,2.849,6,0.437,0.68,1.0,0.05576211363169077,0.023182098553903092,0.03288842437118772,0.038568295524638474,0.03760023302035501
EOS-3-09015,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccc(C)nn5)cnn4C)n23)nc1,UYDRPLIYDOWCSE-UHFFFAOYSA-N,3,1,0.282,33,432,426.444,1.712,5,0.46,0.64,1.0,0.05577068055650743,0.03382221917620451,0.04578164622027277,0.019661092454252623,0.03875890960180933
EOS-3-09016,CNC(=O)c1ncc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1F,ASUVYLOHXKBXRF-UHFFFAOYSA-N,3,1,0.5,90,811,429.362,1.98,4,0.499,0.59,0.999,0.5215800836131862,0.38566582139675143,0.46006956342951133,0.41602700294702216,0.4458356178466178
EOS-3-09017,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5ncc(F)cc5F)cn4)n23)cc1,FUBWKPSLMOJCNW-UHFFFAOYSA-N,3,1,0.562,73,210,435.369,3.64,5,0.416,0.73,1.0,0.9415564389006922,0.9445719964361593,0.7634757727366185,0.7898790350215886,0.8598708107737647
EOS-3-09018,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nn2)cn1,JFURXDQBKDLKOM-UHFFFAOYSA-N,3,1,0.471,13,706,422.811,3.567,5,0.437,0.82,1.0,0.5888047426495785,0.7924833801658556,0.6715441025289562,0.6738400383798232,0.6816680659310533
EOS-3-09019,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)cc1,FQBKIFSXPZWNNY-UHFFFAOYSA-N,3,1,0.294,39,527,437.402,2.425,6,0.409,0.71,0.901,0.02072339113151943,0.12932629703241724,0.06433760537317525,0.14446405318346925,0.08971283668014529
EOS-3-09020,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c(F)c1,UNHRXAPUXCFXQR-UHFFFAOYSA-N,3,1,0.3,42,957,449.453,3.85,6,0.403,0.76,1.0,0.1562949763552875,0.2114145706257282,0.539459255705572,0.5570985539030909,0.36606683914741966
EOS-3-09021,Cn1nccc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,NCIXXHGKBXUPMX-UHFFFAOYSA-N,3,1,0.396,33,53,467.493,2.453,6,0.387,0.77,1.0,0.17230655883763965,0.08064903022411075,0.07280172709204304,0.06466314851620862,0.09760511616750052
EOS-3-09022,c1ncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cn2)cn1,ZIACDPYSRJAQEH-UHFFFAOYSA-N,3,1,0.278,42,761,436.464,3.224,6,0.41,0.78,1.0,0.0447621821670893,0.08065759714892742,0.2186536220958125,0.25379514769378386,0.14946713727640326
EOS-3-09023,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nnn(C)n5)cn4)n23)cc1,ZDVDAKXPWWQSSS-UHFFFAOYSA-N,3,1,0.5,36,926,443.431,0.71,5,0.397,0.75,1.0,0.34809985607566307,0.14742820917003632,0.021837091357686245,0.006793571379617573,0.1310396819957508
EOS-3-09024,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnn(C)n6)c(F)c5)n34)cc2)n1,GDHMCKRDUXHIIO-UHFFFAOYSA-N,3,1,0.365,25,745,454.433,1.978,6,0.392,0.7,1.0,0.2901617435405387,0.32799328353094376,0.10336851483791379,0.13516037283256802,0.21417097868549104
EOS-3-09025,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4F)n23)nc1,GTZUOFOIQHJRGK-UHFFFAOYSA-N,3,1,0.281,99,866,454.433,1.978,6,0.392,0.7,1.0,0.12572818860941676,0.2880028784867384,0.10072133506956343,0.14447262010828593,0.16473125556850116
EOS-3-09026,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cn2)cc1,KNFRMOVPFXDOFU-UHFFFAOYSA-N,3,1,0.373,42,977,429.447,3.767,6,0.417,0.76,1.0,0.15630354328010418,0.12231855253238298,0.2651977246247687,0.292423411692139,0.20906080803234872
EOS-3-09027,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1F,LKYNAEBRTZOJQY-UHFFFAOYSA-N,3,1,0.349,14,740,431.862,4.335,5,0.421,0.78,1.0,0.427198272907957,0.4807586868617641,0.7348622438489479,0.7635614419847851,0.6015951614008634
EOS-3-09028,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cc2)nn1,WGNNAMCGAOBBEH-UHFFFAOYSA-N,3,1,0.342,3,158,452.869,3.544,6,0.399,0.75,0.999,0.040384483585772055,0.18383763964087452,0.21866218902062914,0.34911932012884656,0.1980009080940306
EOS-3-09029,c1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)nc2)nc1,IHGDNCOMOWLBCB-UHFFFAOYSA-N,3,1,0.274,86,874,431.423,2.557,6,0.41,0.7,1.0,0.11784661777808238,0.11274929751216503,0.13732780481118498,0.13982934685765197,0.1269382667397711
EOS-3-09030,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)c1,BZOVPNZVRQPPDD-UHFFFAOYSA-N,3,1,0.333,64,449,437.398,3.499,6,0.408,0.75,1.0,0.3237783565211432,0.31864676855595914,0.2947621821670893,0.3843979165238846,0.3303963059420191
EOS-3-09031,CCc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)cc1,KRELUPFEHTVMQS-UHFFFAOYSA-N,3,1,0.248,94,952,447.466,2.848,6,0.392,0.74,0.939,0.001610581865533548,0.023190665478719757,0.1254797477897334,0.13311287780138442,0.07084846823384278
EOS-3-09032,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)n4)n23)c(Cl)c1,OHMLYCTZYNQYBY-UHFFFAOYSA-N,3,1,0.376,14,81,460.86,3.126,5,0.427,0.66,1.0,0.1978188609416764,0.29340004112123913,0.5326399835515043,0.55033925022274,0.39354953395928993
EOS-3-09033,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnn5)cn4)n23)nc1,QFSVCMSLMFQNDU-UHFFFAOYSA-N,3,1,0.398,33,53,440.427,1.372,5,0.411,0.67,1.0,0.3780069906106504,0.1293348639572339,0.10868000822424782,0.052695154547323694,0.16717925433486394
EOS-3-09034,Cc1cnc(COc2cncc3nnc(-c4cccc(-c5cnn(C)c(=O)c5)c4)n23)cn1,NQSGGXSQEKVBKQ-UHFFFAOYSA-N,3,1,0.456,4,470,426.44,2.229,5,0.42,0.74,1.0,0.24739565485573298,0.0996933040915633,0.21523541909396204,0.15456445754232062,0.17922220889589474
EOS-3-09035,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1OC(F)F,WBMWFEAJFAJHRM-UHFFFAOYSA-N,3,1,0.634,90,305,435.793,4.202,4,0.405,0.8,1.0,0.9756527996710301,0.9867898019326983,0.9661520800493455,0.9559831402919607,0.9711444554862587
EOS-3-09036,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)c1,VKAYVXLTUNACJO-UHFFFAOYSA-N,3,1,0.341,30,298,434.438,4.24,6,0.413,0.8,1.0,0.009826262764717977,0.14743677609485298,0.5949986292920293,0.6830323487081077,0.358823504214927
EOS-3-09037,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4cccc(F)c4F)cn3)n12,OOXJIHLQNVGUFZ-UHFFFAOYSA-N,3,1,0.374,96,3,442.429,4.206,5,0.45,0.74,1.0,0.2819974641902543,0.28801144541155504,0.8446816530738126,0.8096686313480913,0.5560897985059283
EOS-3-09038,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnccn5)n4)n23)cn1,BACGHHTVEVFSBV-UHFFFAOYSA-N,3,1,0.449,7,205,465.477,2.51,6,0.385,0.8,1.0,0.3363717360016448,0.14366732917551917,0.04579021314508944,0.052703721472140364,0.14463324994859844
EOS-3-09039,Clc1cccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)c1,FEQZKVRPBGDRRX-UHFFFAOYSA-N,3,1,0.558,75,846,429.871,3.918,5,0.404,0.77,1.0,0.6547529298882873,0.7541635254609006,0.5088924679597012,0.5795010622986773,0.6243274964018916
EOS-3-09040,Clc1ccc(CCOc2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cc1,BQZNGNRFKWYXJM-UHFFFAOYSA-N,3,1,0.662,84,166,429.871,3.918,5,0.404,0.77,1.0,0.8596994722774313,0.8578918511411144,0.46354773490507845,0.5204406826125694,0.6753949352340484
EOS-3-09041,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)nn1,PJWXGHKFFYXFJQ-UHFFFAOYSA-N,3,1,0.429,11,503,429.871,3.918,5,0.404,0.77,1.0,0.6116869988348982,0.6253598108423001,0.38028579261188405,0.487697895963265,0.5262576245630869
EOS-3-09042,Cc1cc(-c2cncc3nnc(-c4cncc(-c5ccc(C(F)(F)F)nc5)c4)n23)ncn1,QOXZGFMCBQIDMB-UHFFFAOYSA-N,3,1,0.418,82,243,434.385,4.033,5,0.423,0.76,1.0,0.28471317935713797,0.40942190391337124,0.92533925022274,0.8280875197039271,0.6118904632992941
EOS-3-09043,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nncn5C)n4)n23)cn1,LFKBGAWKGAVOLX-UHFFFAOYSA-N,3,1,0.304,99,259,436.443,1.839,6,0.406,0.68,0.985,0.07245048317455965,0.04354567884312247,0.0282365841957371,0.03006133918168734,0.04357352134877664
EOS-3-09044,Cn1cc(-c2cc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cn2)nn1,HSQYDSAVWYLOCL-UHFFFAOYSA-N,3,1,0.385,33,760,446.406,1.194,5,0.405,0.7,1.0,0.38026009183743403,0.18826673977109176,0.13733637173600163,0.09368788979507915,0.19988777328490165
EOS-3-09045,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4ncccn4)n23)c1,RQYZQXOZKNIRCN-UHFFFAOYSA-N,3,1,0.298,25,213,433.439,2.501,6,0.412,0.7,1.0,0.057509766294291,0.030626756219587416,0.06038825303269139,0.08792234939346172,0.059111781235007876
EOS-3-09046,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)nc2)cn1,BKAYHWCIBOCWAA-UHFFFAOYSA-N,3,1,0.253,9,339,437.492,3.772,6,0.414,0.78,1.0,0.007873003906517717,0.01734802275375231,0.3802943595367007,0.37181310396819955,0.19433212254129256
EOS-3-09047,Cn1cc(-c2ccccn2)c(-c2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)n1,OOZOYCPGEUBEFC-UHFFFAOYSA-N,3,1,0.291,70,557,432.451,3.106,6,0.418,0.73,1.0,0.07245905009937632,0.062589952710575,0.1340466726064012,0.1444811870331026,0.10339421561236378
EOS-3-09048,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)cc1,MYTBTRJAROCNKX-UHFFFAOYSA-N,3,1,0.391,61,917,440.364,3.807,5,0.397,0.78,1.0,0.3457610856007128,0.5123363717360017,0.9535929682681105,0.9286289493523405,0.6850798437392913
EOS-3-09049,Cc1cccnc1-c1ncc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)cn1,SKBCRQIQRRPBGE-UHFFFAOYSA-N,3,1,0.478,89,770,456.441,2.769,5,0.412,0.7,1.0,0.6547614968131039,0.4142793502844219,0.294770749091906,0.20986395723391132,0.3934188883558358
EOS-3-09050,Cc1cccc(-c2nccnc2-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c1,YJLLWFRFYZSUPJ-UHFFFAOYSA-N,3,1,0.338,38,787,445.49,4.019,6,0.404,0.79,1.0,0.07630559934206017,0.03383078610102118,0.2839250222740045,0.2895192241792886,0.1708951579740936
EOS-3-09051,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)n5)nc4)n23)cc1,SOEYQKGCKVCVCQ-UHFFFAOYSA-N,3,1,0.305,25,213,451.429,2.64,6,0.372,0.74,1.0,0.2283342471386471,0.2568621067781509,0.15538688232472073,0.20987252415872798,0.21261394010006168
EOS-3-09052,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4F)n23)cn1,GPSZUTXEOUBHFU-UHFFFAOYSA-N,3,1,0.337,94,615,450.441,3.245,6,0.402,0.73,0.926,0.2006545130559934,0.24702727708861627,0.28772873689260503,0.3523747515591803,0.27194631964909877
EOS-3-09053,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cn[nH]c5)c4)n23)cc1F,YBKHSDDYTGWNEU-UHFFFAOYSA-N,3,1,0.31,74,450,429.419,2.398,6,0.443,0.78,1.0,0.05929168665615791,0.19711637310670962,0.22227743129326297,0.29243197861695563,0.1927793674182715
EOS-3-09054,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccccc5F)n4)n23)cc1,LRHNOTMHCHPHPG-UHFFFAOYSA-N,3,1,0.314,10,158,454.404,3.169,6,0.399,0.73,0.867,0.05237817832910698,0.26218216708930164,0.32409533273935986,0.4938403810568158,0.2831240148036461
EOS-3-09055,c1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)c1,DZRSNXBKDYYZPC-UHFFFAOYSA-N,3,1,0.343,41,174,428.459,4.372,6,0.411,0.84,1.0,0.10708656020834761,0.15138612843533686,0.5730501679117264,0.6005842642724968,0.35802678020697687
EOS-3-09056,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)c5)n34)cc2)nc1,WGJOTDLXBVBECC-UHFFFAOYSA-N,3,1,0.347,42,150,435.426,3.635,6,0.417,0.72,1.0,0.03728325680213831,0.16700363237612226,0.5730587348365431,0.5885991364539784,0.3414861901171955
EOS-3-09057,CCOc1cc(-c2ncnn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC)nc3)n12,ZZSYATWPWFHRKT-UHFFFAOYSA-N,3,1,0.33,82,336,455.482,2.407,5,0.414,0.74,0.854,0.25011993694743334,0.1127578644369817,0.10868857514906449,0.04350284421903913,0.12876730518812968
EOS-3-09058,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4cnn(C)c4)cn3)n12,ORJGTCSHSOYIIJ-UHFFFAOYSA-N,3,1,0.316,52,295,466.505,3.155,6,0.409,0.78,1.0,0.10950243300664793,0.054708381879240625,0.1944263587142759,0.15200294702213693,0.12766003015557534
EOS-3-09059,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cncc(C)n5)nn4)n23)cc1,WBCSMDLAQYYITA-UHFFFAOYSA-N,3,1,0.389,52,886,451.494,2.492,5,0.418,0.68,1.0,0.16439072030703858,0.03383935302583785,0.07498629292029334,0.04227777397025564,0.07887353505585634
EOS-3-09060,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ncncc4-c4cccc(F)c4)n23)n1,WHPGRQQVWZHMDL-UHFFFAOYSA-N,3,1,0.3,76,387,450.441,3.245,6,0.402,0.75,0.654,0.11512233568638201,0.19712494003152628,0.2402851072578987,0.33310773764649443,0.22141003015557537
EOS-3-09061,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)no1,YYDMQKMNIAYPRA-UHFFFAOYSA-N,3,1,0.333,94,314,440.402,2.838,6,0.407,0.71,0.987,0.19495750805290932,0.25687067370296757,0.17795216229182373,0.259749160441368,0.22238237612226716
EOS-3-09062,Cc1nccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2)n1,XESWZFAIGXETNU-UHFFFAOYSA-N,3,1,0.454,18,367,444.886,3.622,5,0.391,0.73,1.0,0.7189363306147625,0.7267065314234802,0.3129583304776917,0.30814371873072444,0.5166862278116647
EOS-3-09063,Cn1cc(-c2ccc(C(=O)NCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)s2)nn1,ZOPBVXMBNRMRKH-UHFFFAOYSA-N,3,1,0.39,85,60,467.465,2.911,5,0.408,0.71,1.0,0.11785518470289905,0.17979405112740732,0.21867075594544583,0.1520115139469536,0.16708287643067643
EOS-3-09064,Cn1nc(-c2ccc(-c3nnnn3C)cc2)cc1-c1nnc2cncc(-c3ccncc3)n12,QQMJVOLAMSBFCP-UHFFFAOYSA-N,3,1,0.282,25,213,435.455,2.444,6,0.414,0.71,1.0,0.0319888972654376,0.023199232403536427,0.09329381125351244,0.11538791035569872,0.0659674628195463
EOS-3-09065,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccccc5)cnn4)n23)cc1,QFRQMFNJNVCSIM-UHFFFAOYSA-N,3,1,0.347,93,642,431.463,3.711,6,0.419,0.74,1.0,0.1095109999314646,0.047323692687272975,0.3612672195188815,0.41290864231375507,0.23275263861284357
EOS-3-09066,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cncc(F)c6)n5C)n34)cc2)nn1,KKZYEDOJPPZAFV-UHFFFAOYSA-N,3,1,0.298,8,474,453.445,2.583,6,0.4,0.7,1.0,0.1723151257624563,0.2621907340141183,0.12548831471455008,0.18177301076005756,0.1854417963127956
EOS-3-09067,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)c1,QZXKSLZAEANASV-UHFFFAOYSA-N,3,1,0.43,18,88,430.859,3.313,5,0.404,0.72,1.0,0.6455948872592694,0.597303132067713,0.4022171201425536,0.45402988143376055,0.5247862552258241
EOS-3-09068,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)c(F)c2)nc1,QMEPMNBSJXSLQR-UHFFFAOYSA-N,3,1,0.424,82,374,457.469,4.111,5,0.42,0.84,1.0,0.8551590021245974,0.7583099170721678,0.7113631690768282,0.4728000137070797,0.6994080254951682
EOS-3-09069,Cc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)n1,VFYLKCFPEXQJSV-UHFFFAOYSA-N,3,1,0.5,65,846,444.886,3.622,5,0.391,0.76,1.0,0.8219193338359263,0.8579004180659311,0.30206120211089027,0.3331163045713111,0.5787493146460148
EOS-3-09070,Cn1c(COc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)cccc1=O,NHRZTGUSZUQIEH-UHFFFAOYSA-N,3,1,0.511,1,92,428.427,3.27,5,0.427,0.73,1.0,0.5603111507093413,0.5306010554451374,0.6283068329792337,0.5976886436844631,0.579226920704544
EOS-3-09071,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)nn5C)ccn4)n23)cc1,HJEBFVRRSHYRMF-UHFFFAOYSA-N,3,1,0.5,89,398,454.494,2.834,5,0.42,0.71,1.0,0.35482489205674733,0.16701219930093894,0.25801864162840105,0.11045336166129806,0.22257727366184635
EOS-3-09072,Fc1ccncc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)nc1,SPPLWSWYIAEFGB-UHFFFAOYSA-N,3,1,0.325,94,459,447.437,3.906,6,0.4,0.75,1.0,0.2847217462819546,0.3666472483037489,0.49455143581659927,0.5306096223699541,0.4191325131930642
EOS-3-09073,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnc5)nn4)n23)cc1,UDVPQDWKKUOCDI-UHFFFAOYSA-N,3,1,0.373,3,171,447.437,3.906,6,0.4,0.75,1.0,0.2847303132067713,0.44984065519841,0.5594801590021246,0.6452008087177027,0.48481298403125217
EOS-3-09074,Cc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)cn2)n1,IAGACVKMGOGAIQ-UHFFFAOYSA-N,3,1,0.304,42,780,432.451,3.199,6,0.417,0.71,1.0,0.0010879994517168118,0.015814543211568777,0.1944349256390926,0.1844544582276746,0.0989479816325132
EOS-3-09075,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5nncn5C)c4)n23)ccc1Cl,UWAYJMLEYWDVKE-UHFFFAOYSA-N,3,1,0.518,16,256,432.875,3.523,5,0.419,0.73,1.0,0.5888133095743951,0.6351518059077513,0.48454526763073125,0.4849050784730313,0.5483538653964772
EOS-3-09076,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)c2)nn1,GETMPDZBEBPAPG-UHFFFAOYSA-N,3,1,0.32,25,642,434.467,3.049,6,0.42,0.7,1.0,0.03885957096840518,0.030635323144404085,0.24383181413199917,0.2507538893838668,0.1410201494071688
EOS-3-09077,FC(F)(F)c1ccc(-c2cccc(-c3nnc4cncc(COc5ccncc5)n34)c2)nn1,PUKFIPCVAOISIT-UHFFFAOYSA-N,3,1,0.398,14,189,449.396,4.241,5,0.396,0.79,1.0,0.3871393324652183,0.5493797546432733,0.9327239394147077,0.847585840586663,0.6792072167774655
EOS-3-09078,N#Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1,ZJGBYZMCDSEOIJ-UHFFFAOYSA-N,3,1,0.323,93,74,442.446,3.572,6,0.438,0.69,1.0,0.22244876978959632,0.277516962511137,0.505054485641834,0.5698804057295593,0.3937251559180317
EOS-3-09079,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ccncc1,ZICNNMIUWXVAIR-UHFFFAOYSA-N,3,1,0.523,35,103,425.452,3.273,5,0.392,0.79,1.0,0.4988263313001165,0.3082550887533411,0.4201134260845727,0.31436330614762525,0.38538953807141385
EOS-3-09080,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cnn2)o1,VYNLYXPEOAZBOT-UHFFFAOYSA-N,3,1,0.529,53,659,438.81,3.311,5,0.407,0.76,1.0,0.8088890411897746,0.8781440614077171,0.3766277157151669,0.44784456171612635,0.6278763450071962
EOS-3-09081,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2)cc1=O,QDRYFKQUMDJWFN-UHFFFAOYSA-N,3,1,0.4,46,62,446.858,2.574,5,0.404,0.73,1.0,0.5137327804811185,0.3949780686724693,0.37663628263998356,0.3750171338496333,0.4150910664108012
EOS-3-09082,CCn1ncnc1-c1cccc(-c2nnc3cncc(COc4ccc(Cl)nn4)n23)c1,RCKMDHPYVHDXPC-UHFFFAOYSA-N,3,1,0.352,36,931,433.863,3.092,5,0.402,0.75,1.0,0.31121924473990814,0.3233500102803098,0.10869714207388116,0.13312144472620108,0.21909696045507504
EOS-3-09083,Cc1cc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)ccn1,QVBCEENDEZDNHE-UHFFFAOYSA-N,3,1,0.264,64,495,447.466,2.809,6,0.401,0.73,1.0,0.11513090261119868,0.04355424576793914,0.08638886985127818,0.10401960112398054,0.08727340483859913
EOS-3-09084,Cc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1nccn1C,SWKQLEDWHNKKFW-UHFFFAOYSA-N,3,1,0.566,46,294,433.422,3.752,5,0.42,0.76,1.0,0.7219518881502296,0.5586748680693578,0.6494757042012199,0.5947844561716127,0.631221729148105
EOS-3-09085,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5cnc(C(F)F)nc5)n34)nc2)CC1,PWFAOVBMQBPVOR-UHFFFAOYSA-N,3,1,0.347,63,505,436.426,2.787,5,0.495,0.65,0.994,0.14776231923788638,0.14367589610033582,0.07499485984510999,0.09975327256527997,0.11654658693715306
EOS-3-09086,CCn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NCC6CC6)cc5)n34)ncn2)cn1,OGASPBYIFCBRJW-UHFFFAOYSA-N,3,1,0.321,52,295,465.521,3.272,6,0.392,0.82,1.0,0.0557792474813241,0.011034199163868138,0.04906277842505654,0.06974333493249263,0.04640489000068535
EOS-3-09087,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(C)nn5)n4)n23)cc1,MDBYBMBEKOUOSL-UHFFFAOYSA-N,3,1,0.341,74,333,423.44,2.373,5,0.467,0.66,1.0,0.16695223082722227,0.027808237954903708,0.1461860050716195,0.08793091631827839,0.10721934754300595
EOS-3-09088,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)n4)n23)cn1,VIMOXAUSLHGRCX-UHFFFAOYSA-N,3,1,0.473,7,930,457.429,2.116,5,0.407,0.7,1.0,0.5318860941676375,0.40482146528682067,0.12549688163936673,0.07558597765746009,0.28444760468782126
EOS-3-09089,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)c5)n34)cc2)ccn1,SRHCXLAUHAFLNN-UHFFFAOYSA-N,3,1,0.333,9,774,435.426,3.84,6,0.419,0.74,1.0,0.27915324515112055,0.33751970392707836,0.6743968884929066,0.7081420053457611,0.4998029607292167
EOS-3-09090,Fc1ccc(-c2nnc3cncc(-c4cc(-c5ccncc5)ncn4)n23)c(-n2cncn2)c1,CGMLLJUOMSSLBT-UHFFFAOYSA-N,3,1,0.299,10,566,436.414,3.03,6,0.414,0.69,1.0,0.03199746419025427,0.18384620656569117,0.4672914810499623,0.49384894798163254,0.29424602494688507
EOS-3-09091,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)cc1,GJUADVKUNJOYQZ-UHFFFAOYSA-N,3,1,0.295,39,356,437.402,2.425,6,0.409,0.68,1.0,0.0019532588582002602,0.0935422520731958,0.2689243369200192,0.3587399766979645,0.18078995613734494
EOS-3-09092,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)c5)n34)cc2)n(C)n1,CKNUNYALKDDLLV-UHFFFAOYSA-N,3,1,0.347,67,642,448.494,3.358,6,0.407,0.73,1.0,0.09948769789596326,0.030643890069220754,0.13405523953121787,0.13084264272496746,0.09875736755534234
EOS-3-09093,Cn1ncnc1-c1ccccc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,UFGPFHWOIPWKFP-UHFFFAOYSA-N,3,1,0.489,89,398,466.505,3.058,6,0.392,0.8,1.0,0.37801555753546706,0.10636693852374751,0.11402576930984853,0.12221574943458297,0.1801560037009115
EOS-3-09094,FC1(c2ncc(COc3cncc4nnc(-c5ccc(Cl)nn5)n34)cn2)CCOCC1,JXIDUYYGOUEMLM-UHFFFAOYSA-N,3,1,0.362,68,806,442.842,2.579,5,0.46,0.65,0.86,0.44081968336645877,0.44984922212322664,0.014615173737235282,0.08975567130422864,0.24875993763278736
EOS-3-09095,Cc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)nn2)cn1,XPOQRQKPCDUTLN-UHFFFAOYSA-N,3,1,0.311,94,620,433.439,2.594,6,0.412,0.71,1.0,0.0048831471455006515,0.021057501199369475,0.22228599821807965,0.21855081899801249,0.11669436639024056
EOS-3-09096,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)cn4)n23)cc1F,NMGUMJGGNCQUET-UHFFFAOYSA-N,3,1,0.333,96,680,444.401,3.98,5,0.387,0.84,1.0,0.354833458981564,0.337528270851895,0.7882770200808717,0.7295935850866972,0.5525580837502571
EOS-3-09097,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5nncnn5)c4)n23)ccc1Cl,KIEPUGDOVGZYQP-UHFFFAOYSA-N,3,1,0.58,36,391,435.81,2.805,5,0.41,0.7,1.0,0.9238486053046399,0.9479130971146598,0.532648550476321,0.6035569871838805,0.7519918100198753
EOS-3-09098,Fc1ccnnc1-c1ncnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,ZMUBRTLOAMIUEZ-UHFFFAOYSA-N,3,1,0.536,73,839,435.81,2.805,5,0.41,0.7,1.0,0.9157271605784387,0.9456599958878761,0.24384038105681585,0.37182167089301627,0.6192623021040368
EOS-3-09099,CC(C)NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)nc4)n23)cc1,FINIDHASYMHJPK-UHFFFAOYSA-N,3,1,0.385,62,3,452.493,4.798,5,0.414,0.84,1.0,0.2032931258995271,0.23654992803783154,0.7543691316565005,0.6452093756425193,0.4598553903090946
EOS-3-09100,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5F)nn4)n23)cc1,OLCCBIOJCUOQAW-UHFFFAOYSA-N,3,1,0.319,74,997,465.399,2.568,5,0.383,0.75,1.0,0.03729182372695497,0.1630542800356384,0.5361352888767048,0.46659756013981224,0.3007697381947776
EOS-3-09101,CC(C)(O)c1ncc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cn1,GKSFLMJQMMTCKV-UHFFFAOYSA-N,3,1,0.315,82,478,428.431,3.072,5,0.434,0.73,1.0,0.32896991296004385,0.4001781920361867,0.4459255705571928,0.3173959975327256,0.3731174182715372
EOS-3-09102,Fc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ncc(F)cn5)cn4)n23)cc1,RFZIWKATMQKFRY-UHFFFAOYSA-N,3,1,0.57,73,82,435.369,3.64,5,0.416,0.74,1.0,0.9263330135014735,0.9268898636145569,0.7798814337605373,0.7945051744225893,0.8569023713247892
EOS-3-09103,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,KOJKHYRPLDEUDN-UHFFFAOYSA-N,3,1,0.396,33,760,469.469,1.243,6,0.369,0.79,0.998,0.16164073744088822,0.06259851963539168,0.0065279967103008705,0.0058769104242341165,0.05916104105270372
EOS-3-09104,Fc1ccccc1-c1nnc2cncc(-c3ccc(-c4nnnn4-c4ccccc4)cn3)n12,COTZCWDMSABLLV-UHFFFAOYSA-N,3,1,0.397,30,298,435.426,3.635,6,0.417,0.75,1.0,0.08069186484819409,0.2934086080460558,0.38030292646151737,0.5038294153930505,0.31455820368720444
EOS-3-09105,Cc1noc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)n1,DKNLUGCGVXGFKW-UHFFFAOYSA-N,3,1,0.338,98,725,436.439,3.007,6,0.41,0.71,1.0,0.10208347611541362,0.054716948804057294,0.13734493866081832,0.12222431635939963,0.1040924199849222
EOS-3-09106,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1,BSKNPPYWAVXRSN-UHFFFAOYSA-N,3,1,0.317,39,596,448.425,3.301,6,0.4,0.71,0.998,0.19238743060790897,0.27752552943595366,0.3387276403262285,0.4352511822356247,0.31097294565142897
EOS-3-09107,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,DAKRNSDAFZIAHH-UHFFFAOYSA-N,3,1,0.324,67,289,420.44,2.834,6,0.432,0.75,1.0,0.04183229387978891,0.023207799328353096,0.1282211637310671,0.1627116030429717,0.08899321499554519
EOS-3-09108,Cn1ncc(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ncn2)n1,UYDSRLPAOFPELE-UHFFFAOYSA-N,3,1,0.311,33,647,453.47,1.255,6,0.402,0.68,0.783,0.06287266122952505,0.01735658967856898,0.010143238982934686,0.009415050373517923,0.02494688506613666
EOS-3-09109,COC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cn1,XHCSYIQZMUATBU-UHFFFAOYSA-N,3,1,0.457,7,85,440.423,2.404,5,0.363,0.78,1.0,0.48388561441984784,0.3032948392844904,0.14329038448358578,0.07158522376807622,0.2505140154890001
EOS-3-09110,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4OC)n23)cc1,SNBSROGRJOJEQY-UHFFFAOYSA-N,3,1,0.446,89,451,469.505,3.661,5,0.404,0.82,1.0,0.5244071688026866,0.192490233705709,0.35015591803166335,0.1351689397573847,0.30055556507436093
EOS-3-09111,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccnc4)n23)cc1,MOAWINDLAKHNIN-UHFFFAOYSA-N,3,1,0.293,25,213,432.451,3.106,6,0.418,0.71,1.0,0.10709512713316428,0.07713659104927695,0.17796072921664038,0.2332345281337811,0.14885674388321568
EOS-3-09112,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cn1,KRNZKTDWYJTJCP-UHFFFAOYSA-N,3,1,0.298,42,369,432.451,3.106,6,0.418,0.71,1.0,0.1422195188815023,0.027816804879720377,0.2877373038174217,0.28357377835652114,0.18533685148379136
EOS-3-09113,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)ccn1,FSFGPWLXKQQSRW-UHFFFAOYSA-N,3,1,0.321,25,213,432.451,3.106,6,0.418,0.71,1.0,0.06844116236035913,0.0664536358028922,0.2257299019943801,0.28952779110410526,0.16253812281543417
EOS-3-09114,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4nc(-c5ccccc5)no4)n23)cn1,GAQWAMJULKCLCU-UHFFFAOYSA-N,3,1,0.443,30,203,436.41,4.104,6,0.406,0.82,1.0,0.28200603111507094,0.37634500719621683,0.3314543211568775,0.4319272154067576,0.3554331437187307
EOS-3-09115,Cn1nc(-c2ccc(Cl)nc2)nc1-c1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,PNOSHJKXYMBXLN-UHFFFAOYSA-N,3,1,0.367,22,316,441.257,4.095,5,0.392,0.81,0.999,0.2550887533411007,0.5123449386608183,0.5791840860804606,0.7610256322390515,0.5269108525803577
EOS-3-09116,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)n1C,ADJHWGQLXDTVLB-UHFFFAOYSA-N,3,1,0.319,9,57,445.49,4.019,6,0.404,0.76,1.0,0.09466451922417929,0.06997464190254267,0.27246247686930297,0.2776797340826537,0.17869534301966966
EOS-3-09117,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5nc(C)cs5)n4)n23)cc1,RAHBDPKRYKCHGV-UHFFFAOYSA-N,3,1,0.442,14,357,459.51,3.708,5,0.43,0.7,1.0,0.2089130285792612,0.29341717497087244,0.2119714207388116,0.1493986018778699,0.21592505654170377
EOS-3-09118,Cn1cc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)c2)nn1,XNVYEWDESYOUGV-UHFFFAOYSA-N,3,1,0.316,94,761,433.439,2.501,6,0.412,0.71,1.0,0.04039305051058872,0.018915769995202524,0.16814303337673908,0.17602460420807348,0.10086911452265095
EOS-3-09119,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cncc(F)c5)nn4)n23)nc1,MVSBIWUHQWCOQG-UHFFFAOYSA-N,3,1,0.257,99,312,440.406,1.764,6,0.402,0.68,1.0,0.015180590775135358,0.10967377150298128,0.10870570899869783,0.1494071688026866,0.09574181001987526
EOS-3-09120,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)nc1,IBPZQOQZQWCPTO-UHFFFAOYSA-N,3,1,0.302,10,871,438.43,2.974,6,0.417,0.69,0.36,0.021657185936536223,0.140137756151052,0.23664416421081488,0.2835823452813378,0.17050536289493523
EOS-3-09121,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)c1,RMCBKDZSFHVUMV-UHFFFAOYSA-N,3,1,0.322,94,151,437.402,2.425,6,0.409,0.69,0.993,0.004891714070317319,0.11559351655129875,0.29477931601672264,0.37502570077445,0.19757256185319716
EOS-3-09122,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)nc1,IWANEBMJDRAUFF-UHFFFAOYSA-N,3,1,0.299,86,249,437.402,2.425,6,0.409,0.69,1.0,0.007281886094167638,0.10637550544856418,0.15539544924953738,0.19277294222465904,0.11545644575423206
EOS-3-09123,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)n1C,ZKRXUFUFRHKQDA-UHFFFAOYSA-N,3,1,0.333,98,42,448.494,3.358,6,0.407,0.7,1.0,0.12308957576588307,0.047332259612089644,0.11719553149201563,0.10608423000479748,0.09842539921869646
EOS-3-09124,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)ccc2F)n1,HVKUJSWHLKCKJP-UHFFFAOYSA-N,3,1,0.5,4,677,446.421,3.512,5,0.404,0.74,1.0,0.6765214858474402,0.6935011308340758,0.5015591803166335,0.4540384483585772,0.5814050613391817
EOS-3-09125,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nn2)c1,DIEBCONKCWCINS-UHFFFAOYSA-N,3,1,0.364,10,705,435.426,3.635,6,0.417,0.73,1.0,0.01688540881365225,0.15139469536015351,0.5159601809334521,0.5855493112192447,0.31744739908162567
EOS-3-09126,OCc1cnc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)cc4)n23)cn1,UHXICFTXMODCLH-UHFFFAOYSA-N,3,1,0.466,46,775,430.403,2.249,5,0.432,0.74,1.0,0.6765300527722569,0.5216486190117195,0.364968131039682,0.3203858542937427,0.4708831642793503
EOS-3-09127,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cn1,GYQQGKOQNKFBRL-UHFFFAOYSA-N,3,1,0.417,51,855,440.427,1.372,5,0.411,0.69,1.0,0.4764923583030635,0.25206462888081693,0.07716229182372696,0.03321396751422109,0.2097333116304571
EOS-3-09128,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nc4)n23)cc1,PSNPMAASJUSMHJ-UHFFFAOYSA-N,3,1,0.517,89,656,470.468,2.922,5,0.368,0.8,1.0,0.4454201219930094,0.09355081899801247,0.30925741895689124,0.19513741347405936,0.2608414433554931
EOS-3-09129,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)cc1,AOIZKKAGSHSWAA-UHFFFAOYSA-N,3,1,0.36,21,366,431.499,5.018,6,0.424,0.92,1.0,0.24442293194434925,0.11560208347611542,0.5326571174011376,0.6334555547940511,0.3815344219039134
EOS-3-09130,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4F)n23)cc1,GQYJGQQRKUHHQV-UHFFFAOYSA-N,3,1,0.343,62,124,466.436,3.433,5,0.377,0.84,1.0,0.4838941813446645,0.5080272085532177,0.6196885066136659,0.484913645397848,0.524130885477349
EOS-3-09131,Cc1cnc(-c2cc(-c3nnc4cncc(Cc5ccc(Cl)cc5)n34)nnc2Cl)cn1,MRRNSQZBTWOQCO-UHFFFAOYSA-N,3,1,0.327,85,81,449.305,4.244,5,0.405,0.77,0.305,0.33638030292646154,0.3280018504557604,0.4912703036118155,0.6366510177506682,0.44807586868617644
EOS-3-09132,COc1nc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,RTUYGWJUJRKHAJ-UHFFFAOYSA-N,3,1,0.333,52,295,465.477,2.606,6,0.402,0.75,1.0,0.23085292303474744,0.054725515728873964,0.08147145500651086,0.07745356726749367,0.11112586525940649
EOS-3-09133,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)c1,ZMZFSBKOHHTPHI-UHFFFAOYSA-N,3,1,0.349,25,219,450.441,3.245,6,0.402,0.71,1.0,0.20602597491604413,0.2213950380371462,0.44953224590500995,0.5102717428551847,0.34680625042834623
EOS-3-09134,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cn5)cn4)n23)cc1,SXZSJMXQYYBGDF-UHFFFAOYSA-N,3,1,0.3,70,167,450.441,3.245,6,0.402,0.71,1.0,0.1697621821670893,0.23170104859159757,0.3092659858817079,0.3458381879240628,0.2641418511411144
EOS-3-09135,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)nc2)cn1,AGYJGHCKPJFFMU-UHFFFAOYSA-N,3,1,0.321,64,449,449.453,3.85,6,0.403,0.75,1.0,0.13412377492975122,0.2064628880816942,0.46355630182989516,0.50017990542115,0.3260807175656226
EOS-3-09136,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)c(F)c1,OKUAWNJRDORIIF-UHFFFAOYSA-N,3,1,0.309,30,498,449.453,3.85,6,0.403,0.75,0.989,0.14484956480021932,0.22140360496196285,0.41264306764443837,0.48492221232266464,0.31595461243232126
EOS-3-09137,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncc(-c5ncccn5)cn4)n23)nc1,VEVVUIGCKIHWFY-UHFFFAOYSA-N,3,1,0.262,86,459,449.413,2.696,6,0.395,0.71,1.0,0.27374751559180316,0.28802001233637176,0.0933023781783291,0.13983791378246865,0.19872695497224316
EOS-3-09138,COCCCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,SNEJWRGEOFJJFW-UHFFFAOYSA-N,3,1,0.34,0,862,470.533,3.117,5,0.364,0.87,1.0,0.2605630182989514,0.047340826536906314,0.08887327804811185,0.0809317387430608,0.11942721540675759
EOS-3-09139,Cn1c(-c2ncc[nH]2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,BQPLTXZWPKJSLD-UHFFFAOYSA-N,3,1,0.278,8,934,420.44,3.039,6,0.466,0.78,0.309,0.024912617366869987,0.013030292646151737,0.062427181139058326,0.1222328832842163,0.055650743609074085
EOS-3-09140,Cc1nccn1Cc1cncc2nnc(-c3nccnc3-c3ccc(Cl)c(F)c3)n12,UPDYFFGWJWONPI-UHFFFAOYSA-N,3,1,0.306,85,961,420.839,3.594,5,0.441,0.82,1.0,0.32119971215132614,0.2880285792611884,0.40590946473853745,0.5171938181070523,0.3830828935645261
EOS-3-09141,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(C#N)cc3)n12,OJHRAEJOEYYRTA-UHFFFAOYSA-N,3,1,0.361,0,862,410.437,3.231,5,0.542,0.92,1.0,0.36637310670961554,0.21142313755054484,0.43892639298197517,0.4379326297032417,0.36366381673634435
EOS-3-09142,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,YAIHLCPUTXYCMD-UHFFFAOYSA-N,3,1,0.549,73,212,434.822,3.41,5,0.414,0.7,1.0,0.8113991501610582,0.946850798437393,0.5394678226303886,0.6035655541086972,0.7253208313343842
EOS-3-09143,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)n5)cc4)n23)cn1,WNTPMDCUNPFKBF-UHFFFAOYSA-N,3,1,0.292,98,213,451.429,2.64,6,0.372,0.75,1.0,0.16696079775203893,0.24703584401343293,0.19790453018984305,0.23034747447056406,0.21056216160646973
EOS-3-09144,Cc1cc(OCc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)ccc1Cl,CVGFGONSOHOXCL-UHFFFAOYSA-N,3,1,0.394,2,767,431.887,4.128,5,0.416,0.81,1.0,0.29017031046535535,0.3474487697895963,0.7348708107737647,0.6857651977246247,0.5145637721883353
EOS-3-09145,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)c5)nn4)n23)nc1,LUVLDXLWPLINQR-UHFFFAOYSA-N,3,1,0.406,46,348,459.857,2.37,5,0.378,0.76,0.984,0.4109810842300048,0.32335857720512645,0.2222945651428963,0.2040641491330272,0.2901745939277637
EOS-3-09146,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nc(C)ns5)c4)n23)cc1,SAFJZMUCLYRPAW-UHFFFAOYSA-N,3,1,0.517,89,656,458.507,2.952,5,0.412,0.77,1.0,0.40012679048728667,0.1670207662257556,0.14329895140840243,0.06617092728394215,0.19415435885134671
EOS-3-09147,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)c(F)c1,UPXQPTMCBOWUGY-UHFFFAOYSA-N,3,1,0.318,98,314,440.402,2.838,6,0.407,0.72,1.0,0.3007847303132068,0.3325166198341443,0.2617195531492016,0.29244054554177235,0.29686536220958126
EOS-3-09148,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cc2)ccn1,AJUFCEMENJPINS-UHFFFAOYSA-N,3,1,0.342,3,158,435.426,3.635,6,0.39,0.78,0.999,0.04184086080460558,0.22678363374683025,0.3987560825166198,0.5001884723459666,0.29189226235350557
EOS-3-09149,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)cc1,ZXJHBVPUUYWGFD-UHFFFAOYSA-N,3,1,0.489,4,770,430.449,3.587,5,0.435,0.76,1.0,0.5270200808717703,0.19713350695634296,0.28393358919882117,0.16783462408333905,0.2939804502775684
EOS-3-09150,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)nc2)cnn1,UROCHSUVRPSQES-UHFFFAOYSA-N,3,1,0.418,13,412,442.414,2.982,5,0.439,0.67,1.0,0.5946816530738126,0.3903519292714687,0.4881262422040984,0.3587485436227812,0.45797709204304027
EOS-3-09151,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)c2)cc1=O,WNNAAWBLNHFWPL-UHFFFAOYSA-N,3,1,0.57,35,470,443.442,2.708,5,0.398,0.76,1.0,0.5550767596463574,0.46746281954629565,0.5015677472414503,0.47280858063189635,0.4992289767664999
EOS-3-09152,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,JMQHCVJFLMTXBD-UHFFFAOYSA-N,3,1,0.516,24,699,447.861,4.057,5,0.387,0.81,1.0,0.836860050716195,0.903159481872387,0.5791926530052772,0.6275443766705503,0.7366891405661024
EOS-3-09153,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)cn1,CYVPADZKMYBJLT-UHFFFAOYSA-N,3,1,0.404,14,189,430.418,4.414,5,0.411,0.83,1.0,0.5163114248509355,0.5776848742375437,0.8383678294839284,0.8201802480981427,0.6881360941676375
EOS-3-09154,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)ncn2)nn1,JGMMVKATAHAUBV-UHFFFAOYSA-N,3,1,0.307,98,42,435.455,2.444,6,0.414,0.69,1.0,0.035955383455554796,0.01736515660338565,0.13406380645603455,0.12224145020903296,0.07740644918100198
EOS-3-09155,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cc2)n1,QQCMYJBRKNPFGY-UHFFFAOYSA-N,3,1,0.316,25,508,435.455,2.444,6,0.414,0.69,1.0,0.12025392365156604,0.06260708656020834,0.1140343362346652,0.12455451990953327,0.1053624665889932
EOS-3-09156,COc1cc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,BZRCTUIKFHPNDG-UHFFFAOYSA-N,3,1,0.598,15,393,427.468,3.217,5,0.394,0.81,1.0,0.30855493112192445,0.10638407237338085,0.4945600027414159,0.3233671441299431,0.30821653759166606
EOS-3-09157,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cc4F)n23)cn1,HZCGUAKGDSAUHN-UHFFFAOYSA-N,3,1,0.337,82,204,456.506,4.613,6,0.417,0.84,0.994,0.20330169282434377,0.2520731958056336,0.380311493386334,0.5102803097800014,0.3364916729490782
EOS-3-09158,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncc(F)c5)sn4)n23)cc1,DIVMTLSMXGMDMG-UHFFFAOYSA-N,3,1,0.417,14,357,445.483,3.399,5,0.445,0.65,1.0,0.19239599753272565,0.2019652525529436,0.3726954972243164,0.31740456445754234,0.271115327941882
EOS-3-09159,Cc1ncn(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1,XWWVGMOGXXLSJI-UHFFFAOYSA-N,3,1,0.319,52,802,468.496,3.594,6,0.423,0.77,0.889,0.20892159550407785,0.2267922006716469,0.2152439860187787,0.24780686724693304,0.2246911623603591
EOS-3-09160,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ncc(Cl)cn5)cn4)n23)cn1,IVELUTLQMFGOQK-UHFFFAOYSA-N,3,1,0.4,85,290,428.887,3.785,5,0.42,0.76,1.0,0.3708793091631828,0.41881982043725585,0.25802720855321776,0.292449112466589,0.33504386265506136
EOS-3-09161,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(Cl)nc5)nc(C)n4)n23)cc1,MRWHTCUTBHMLCX-UHFFFAOYSA-N,3,1,0.322,74,333,471.912,3.417,5,0.387,0.83,1.0,0.18374340346789117,0.20647145500651087,0.21525255294359535,0.14941573572750325,0.18872078678637516
EOS-3-09162,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,IMFXVQQVAQFYQG-UHFFFAOYSA-N,3,1,0.345,30,979,431.463,3.711,6,0.419,0.75,0.915,0.05930025358097457,0.06646220272770886,0.1747909670344733,0.2303560413953807,0.13272736618463435
EOS-3-09163,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nc2)n1,ZSUJDOZMXIMKJY-UHFFFAOYSA-N,3,1,0.33,70,392,431.463,3.711,6,0.419,0.75,1.0,0.07425810431087657,0.05870913576862449,0.4059180316633541,0.3750342676992667,0.22847988486053045
EOS-3-09164,NCc1cccc(-c2cccc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)c1,GAOIUEHHXGJZFO-UHFFFAOYSA-N,3,1,0.434,79,18,425.467,4.635,5,0.429,0.86,1.0,0.49629052155438286,0.4188283873620725,0.8952265094921527,0.8837382633130012,0.6735209204304023
EOS-3-09166,COc1cnc(-c2cnn(C)c2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,IHTVHDWABPQTHQ-UHFFFAOYSA-N,3,1,0.292,82,974,467.493,2.55,6,0.404,0.77,1.0,0.14222808580631896,0.08415290247412789,0.07500342676992666,0.05844356109930779,0.08995699403742033
EOS-3-09167,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)nc1,FMLKXPRSMRYYKQ-UHFFFAOYSA-N,3,1,0.265,70,392,432.451,3.106,6,0.418,0.74,1.0,0.061090740867658144,0.040024672743472,0.21867932287026248,0.195145980398876,0.12873517922006716
EOS-3-09168,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)nc1,NVSLKWARFZGFSU-UHFFFAOYSA-N,3,1,0.265,70,392,432.451,3.106,6,0.418,0.74,1.0,0.061099307792474813,0.04003323966828867,0.21868788979507917,0.1951545473236927,0.12874374614488382
EOS-3-09169,Fc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)nc2)c1,OGMTYKVILWSXDO-UHFFFAOYSA-N,3,1,0.321,32,179,447.437,3.906,6,0.4,0.76,1.0,0.23086148995956413,0.3233671441299431,0.48455383455554796,0.5535689808786238,0.39808786238091975
EOS-3-09170,Clc1ccccc1CCOc1cncc2nnc(-c3cc(-c4cccnn4)ccn3)n12,KDEVCWVPCZSNHY-UHFFFAOYSA-N,3,1,0.614,19,159,429.871,3.918,5,0.404,0.76,1.0,0.6142913439791653,0.635160372832568,0.5564560345418409,0.6189603180042492,0.6062170173394558
EOS-3-09171,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCC6)cc5)n34)c(F)c2)o1,JVQNTGVAQAVQKK-UHFFFAOYSA-N,3,1,0.381,62,376,454.465,4.407,6,0.4,0.82,1.0,0.222457336714413,0.32337571105475976,0.10593002535809745,0.2361644164210815,0.22198187238708794
EOS-3-09172,Fc1cnc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cn1,ZHSYJZUVOXDPEJ-UHFFFAOYSA-N,3,1,0.346,32,945,447.437,3.906,6,0.4,0.73,1.0,0.2632873003906518,0.35222911383729694,0.38032006031115073,0.4379411966280584,0.3584444177917895
EOS-3-09173,COc1cc(-c2nnn[nH]2)cnc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,FXPDEUQRSUBTMC-UHFFFAOYSA-N,3,1,0.333,50,243,422.359,2.375,5,0.453,0.75,0.662,0.3937872661229525,0.4276951545473237,0.4495408128298266,0.36226954972243164,0.4083231958056336
EOS-3-09174,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)cn5)cn4)n23)cn1,LHJSMOMKEYNOTR-UHFFFAOYSA-N,3,1,0.468,7,205,457.429,2.116,5,0.407,0.71,1.0,0.5689294770749092,0.41883695428688916,0.22573846891919677,0.13313001165101776,0.33665872798300317
EOS-3-09175,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ccccn5)n4)n23)cc1,IFNMZYRQEKQQCN-UHFFFAOYSA-N,3,1,0.604,11,275,455.453,3.108,5,0.4,0.73,0.981,0.7067027619765609,0.21623774929751216,0.37270406414913304,0.2985744637105065,0.3985547597834282
EOS-3-09176,c1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)nc2)nc1,ALUCKMBGOTYNEH-UHFFFAOYSA-N,3,1,0.326,80,165,446.434,3.288,6,0.389,0.76,1.0,0.4549808100884107,0.32801041738057707,0.2839421561236379,0.23914570625728188,0.3265197724624769
EOS-3-09177,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cn2)n[nH]1,YIKMBBIGQYSIDZ-UHFFFAOYSA-N,3,1,0.279,99,968,436.443,2.137,6,0.44,0.68,1.0,0.09467308614899596,0.09355938592282914,0.0440168597080392,0.03857686244945514,0.06770654855732985
EOS-3-09178,NC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccccc4C(F)(F)F)n23)cc1,KFYZIJISQNQLLC-UHFFFAOYSA-N,3,1,0.394,62,3,450.38,4.231,5,0.439,0.75,0.986,0.4384809128915085,0.42326605441710646,0.9350455760400247,0.8580717565622644,0.663716074977726
EOS-3-09179,Cc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,HUKYZPASGPNDTL-UHFFFAOYSA-N,3,1,0.286,9,98,431.463,4.009,6,0.449,0.72,1.0,0.13163936673291754,0.1436844630251525,0.542834624083339,0.5471266534164896,0.34132127681447466
EOS-3-09180,Cn1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)s2)cn1,FMXGABQWPRKVOL-UHFFFAOYSA-N,3,1,0.271,70,957,438.48,3.167,6,0.412,0.75,0.908,0.015189157699952025,0.015823110136385442,0.09821979302309643,0.12667055033925023,0.06397565279967103
EOS-3-09181,Cc1cnc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cn2)cn1,RFCRQGXOVFARBZ-UHFFFAOYSA-N,3,1,0.406,85,674,441.43,2.176,5,0.438,0.62,1.0,0.2254386265506134,0.2419385237475156,0.21869645671989582,0.1734373929134398,0.21487774998286613
EOS-3-09182,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cc4)n23)n1,CKEFXCUZLJFHQL-UHFFFAOYSA-N,3,1,0.306,38,746,450.441,3.245,6,0.402,0.72,1.0,0.17501370707970668,0.26219930093893495,0.25095092865465013,0.34261702419299567,0.25769524021657186
EOS-3-09183,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cc1,WDUWKBLJLAFIDM-UHFFFAOYSA-N,3,1,0.342,8,973,420.44,2.835,6,0.432,0.76,1.0,0.03730039065177164,0.02321636625316976,0.10593859228291412,0.13752484408196833,0.07599504831745596
EOS-3-09184,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)c(Cl)c4)n23)cc1,NIKQOJSSPNWVBO-UHFFFAOYSA-N,3,1,0.402,62,3,458.884,4.672,5,0.423,0.82,1.0,0.28750599684737166,0.3856743883215681,0.8280618189294771,0.8118788979507916,0.5782802755123021
EOS-3-09185,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cc(F)ccn5)nn4)n23)cn1,SAKXRCXIBXUPJZ-UHFFFAOYSA-N,3,1,0.415,85,580,441.43,2.061,5,0.423,0.66,1.0,0.2335258035775478,0.20648002193132753,0.09331094510314578,0.1082602289082311,0.16039424988006304
EOS-3-09186,CCCc1nc(F)ccc1COc1cncc2nnc(-c3ccc(C(=O)NC)cn3)n12,HWHUMEIXJOWUIW-UHFFFAOYSA-N,3,1,0.378,63,457,421.436,2.612,4,0.457,0.71,1.0,0.3802686587622507,0.1401463230758687,0.12296107189363306,0.06467171544102529,0.17701194229319445
EOS-3-09187,Cn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)c1F,ZDSWGQPPKIGOJE-UHFFFAOYSA-N,3,1,0.593,36,659,436.838,3.353,5,0.417,0.73,1.0,0.7810037009115208,0.8453070385854293,0.6016465629497636,0.6334641217188678,0.7153553560413954
EOS-3-09188,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]c(=O)c5)nc4)n23)nc1,ISPMHGGCEQVGFF-UHFFFAOYSA-N,3,1,0.273,32,392,447.462,3.004,6,0.441,0.68,1.0,0.23647282571448153,0.09356795284764581,0.3422315125762456,0.3203944212185594,0.2481666780892331
EOS-3-09189,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nc2)n1,OZFNLCIZVISRSV-UHFFFAOYSA-N,3,1,0.326,70,899,433.439,2.501,6,0.412,0.72,1.0,0.08279076142827771,0.06647076965252553,0.1172040984168323,0.13313857857583442,0.09990105201836749
EOS-3-09190,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)nc1,DZYOGDLTGSDRCJ-UHFFFAOYSA-N,3,1,0.286,76,387,433.439,2.501,6,0.412,0.68,1.0,0.07426667123569324,0.03676924131313824,0.06841546158590912,0.07358988417517648,0.06326031457747927
EOS-3-09191,Cc1ccc(-c2nnc3cncc(OCc4cncc(NC(=O)c5cccc(F)n5)n4)n23)cn1,XNFDNXWUWSIYGE-UHFFFAOYSA-N,3,1,0.416,4,205,457.429,2.65,5,0.382,0.75,1.0,0.4087365499280378,0.2775340963607703,0.1713299294085395,0.09976183949009663,0.2393406037968611
EOS-3-09192,Cn1ncc(-c2cccc(F)c2)c1-c1nnc2cncc(-c3ccc(C(=O)N4CCCC4)nc3)n12,XVXRVNFGXNVRHZ-UHFFFAOYSA-N,3,1,0.333,52,169,468.496,3.629,6,0.4,0.81,0.551,0.01114556918648482,0.04004180659310534,0.00680213830443424,0.05702145157974094,0.028752741415941335
EOS-3-09193,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(C#N)c4)n23)cn1,UHGSAWSWUXWMMX-UHFFFAOYSA-N,3,1,0.494,55,283,426.415,3.177,5,0.425,0.73,1.0,0.7668768418888355,0.6548043314371873,0.7586268932903845,0.6969793023096429,0.7193218422315125
EOS-3-09194,OCc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cc1,SRRWJJSYMAAFEQ-UHFFFAOYSA-N,3,1,0.5,83,417,429.867,4.791,5,0.432,0.89,1.0,0.9276009183743403,0.9510828592968268,0.9043245836474539,0.8974453430196696,0.9201134260845727
EOS-3-09195,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)n1,AFKJVNGZUGTLRZ-UHFFFAOYSA-N,3,1,0.406,52,310,466.505,3.58,6,0.407,0.79,0.995,0.4336577342197245,0.16702933315057228,0.09564971557809608,0.08445274484271126,0.19519738194777603
EOS-3-09196,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)cn1,YWKGHVUSUAFWJE-UHFFFAOYSA-N,3,1,0.279,99,286,435.455,2.444,6,0.414,0.7,1.0,0.07046295661709273,0.04734939346172298,0.11119868412034815,0.10185216914536357,0.08271580083613186
EOS-3-09197,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5nnnn5C)c4)n23)cn1,ZSDLVEBCKXVIQF-UHFFFAOYSA-N,3,1,0.284,99,899,436.443,1.839,6,0.406,0.71,1.0,0.08070043177301076,0.040050373517922004,0.04907134534987321,0.0514957850729902,0.05532948392844904
EOS-3-09198,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccc(Cl)nn5)s4)n23)cn1,SIDZRGNGBIVLLP-UHFFFAOYSA-N,3,1,0.369,50,155,435.86,2.519,5,0.454,0.63,0.257,0.08720272770886163,0.16703790007538893,0.06434617229799192,0.08793948324309506,0.1016315708313344
EOS-3-09200,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)cn4)n23)cc1,YBGSLUGLAVGDGB-UHFFFAOYSA-N,3,1,0.469,89,408,471.456,2.317,5,0.362,0.79,1.0,0.42242649578507296,0.14744534301966966,0.11721266534164897,0.06617949420875882,0.18831599958878759
EOS-3-09201,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cn1,USOOAQGZVNHLIR-UHFFFAOYSA-N,3,1,0.296,86,812,433.439,2.501,6,0.412,0.69,1.0,0.13413234185456788,0.05871770269344116,0.0912034815982455,0.09568398327736276,0.09493437735590432
EOS-3-09204,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)cc1,FPTWOPHPMLJHRZ-UHFFFAOYSA-N,3,1,0.343,10,871,435.426,3.635,6,0.417,0.71,0.917,0.01689397573846892,0.11888321568089918,0.38776471797683504,0.4666061270646289,0.247537009115208
EOS-3-09205,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1ccnnc1,YTWFKNICEPSEEU-UHFFFAOYSA-N,3,1,0.494,72,208,434.822,3.41,5,0.414,0.72,1.0,0.7751867589610033,0.8859999314646014,0.6715526694537729,0.7111318621067781,0.760967805496539
EOS-3-09206,Fc1cncnc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,VNKDXUPIAGRGPW-UHFFFAOYSA-N,3,1,0.536,73,335,434.822,3.41,5,0.414,0.72,0.999,0.9614659721746281,0.9649869782742787,0.4566513604276609,0.5441367966554725,0.7318102768830101
EOS-3-09207,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)nn4C)n23)cn1,KYAUGFFGUHDVOI-UHFFFAOYSA-N,3,1,0.338,98,979,434.467,3.049,6,0.42,0.72,0.999,0.08070899869782742,0.07714515797409362,0.07717085874854362,0.0897642382290453,0.08119731341237749
EOS-3-09209,Cn1ccnc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cn1,BQQRVZMNHUROSJ-UHFFFAOYSA-N,3,1,0.295,42,106,421.424,3.304,6,0.426,0.77,1.0,0.1669693646768556,0.05473408265369063,0.21197998766362827,0.21855938592282914,0.16306070522925092
EOS-3-09210,Cn1cnc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)nn5)n34)c2)cc1=O,HMAIEIQAKRCNFJ-UHFFFAOYSA-N,3,1,0.343,72,351,446.858,2.574,5,0.404,0.74,1.0,0.3503015557535467,0.34252278802001235,0.3020697690357069,0.3016756904941402,0.3241424508258516
EOS-3-09211,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)nc2)nc1,LTVYFALQSHIUGA-UHFFFAOYSA-N,3,1,0.287,94,977,448.425,3.301,6,0.4,0.73,1.0,0.30601055445137415,0.347457336714413,0.26172812007401824,0.30504249194709065,0.305059625796724
EOS-3-09212,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5F)n34)cc2)cnn1,NFRQTDVLTQLOPY-UHFFFAOYSA-N,3,1,0.34,62,341,465.492,4.255,6,0.417,0.8,1.0,0.172323692687273,0.28803714618600507,0.467300047974779,0.5235333424713865,0.3627985573298609
EOS-3-09213,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ncccc5F)ncn4)n23)c1,AZVJLXPDFMGONW-UHFFFAOYSA-N,3,1,0.505,44,130,431.406,3.543,5,0.406,0.77,0.999,0.7369183058049482,0.5722962785278597,0.6196970735384826,0.6536820642862038,0.6456484305393735
EOS-3-09214,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nncs5)c4)n23)cn1,HXARWEWDVVUEPY-UHFFFAOYSA-N,3,1,0.489,55,875,431.441,1.778,5,0.425,0.71,1.0,0.3979850592831197,0.19714207388115962,0.0771794256733603,0.04754643273250634,0.1799632478925365
EOS-3-09215,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cc1,GZFBLKMZNWNORG-UHFFFAOYSA-N,3,1,0.32,3,158,418.424,2.891,6,0.429,0.81,1.0,0.016902542663285586,0.047357960386539645,0.18436022205469124,0.2568192721540676,0.126359999314646
EOS-3-09216,O=c1[nH]cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cccc(F)c1,UUGVQJIUQBTLRO-UHFFFAOYSA-N,3,1,0.573,11,393,428.427,3.302,5,0.446,0.77,1.0,0.44542868891782605,0.2982831882667398,0.7061887464875608,0.7137190734014118,0.5409049242683847
EOS-3-09217,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cn5)n34)nc2)n1,CKKVPSRRKPABLH-UHFFFAOYSA-N,3,1,0.326,32,572,449.453,3.85,6,0.403,0.76,0.842,0.16697793160167226,0.28271708587485433,0.46730861489959563,0.5001970392707834,0.3543001679117264
EOS-3-09218,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)nc3)n12,UIRFBJGOCBRYEA-UHFFFAOYSA-N,3,1,0.38,8,474,449.453,3.85,6,0.403,0.76,1.0,0.13693372626961825,0.31340381056815847,0.32765060653827704,0.4445291618120759,0.30562932629703243
EOS-3-09219,CCn1c(-c2cncnc2)nnc1-c1cncc2nnc(-c3ccc(-c4nnnn4C)cc3)n12,FWSNYYHDNVOONL-UHFFFAOYSA-N,3,1,0.297,8,866,451.458,1.717,6,0.38,0.74,1.0,0.05238674525392365,0.04356281269275581,0.009295113426084573,0.011591049276951546,0.029208930162428898
EOS-3-09220,Cc1ncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)cn1,FZMVHCIODFZWDN-UHFFFAOYSA-N,3,1,0.324,98,882,448.454,2.204,6,0.394,0.7,1.0,0.0645089438695086,0.02322493317798643,0.06435473922280859,0.057030018504557606,0.05227965869371531
EOS-3-09221,Cn1ncnc1-c1cc(C#N)cc(COc2cncc3nnc(-c4ccc(F)cn4)n23)c1,UTMLADHUVHTRQD-UHFFFAOYSA-N,3,1,0.433,46,915,427.403,2.572,5,0.42,0.71,1.0,0.6086885751490645,0.4585960523610445,0.5193698170104859,0.4907905558220821,0.5193612500856692
EOS-3-09222,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)s4)n23)cc1,UKXRENVXHMPJCA-UHFFFAOYSA-N,3,1,0.489,89,731,461.482,3.388,5,0.386,0.77,1.0,0.597457336714413,0.36665581522856555,0.36497669796449866,0.2478154341717497,0.39422632101980676
EOS-3-09223,Cc1c(Cl)ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)c1CO,MXNFNFUARJMDJN-UHFFFAOYSA-N,3,1,0.461,68,127,450.808,3.633,4,0.495,0.67,1.0,0.7694640531834692,0.9007093413748201,0.9529504489068604,0.8905489685422521,0.8784182030018505
EOS-3-09224,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,UUWLXHZHWTUVNY-UHFFFAOYSA-N,3,1,0.358,3,39,454.885,3.488,6,0.401,0.74,1.0,0.030789527791104106,0.20197381947776027,0.3461208964430128,0.45404701528339386,0.25823281474881776
EOS-3-09225,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)nn2)n1,RFLFIYKBYBCMKB-UHFFFAOYSA-N,3,1,0.325,39,972,451.429,2.64,6,0.398,0.69,0.347,0.15353642656432048,0.18827530669590845,0.1311510520183675,0.20087725310122678,0.16846000959495583
EOS-3-09226,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5F)nc4)n23)nc1,ZCBWURLGLMFVNV-UHFFFAOYSA-N,3,1,0.403,98,654,451.429,2.64,6,0.398,0.69,1.0,0.21424165581522855,0.29829175519155643,0.15253409636077034,0.22738331848399698,0.22311270646288806
EOS-3-09227,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncnn5C)ncn4)n23)nc1,BLECXYNIPAVXTF-UHFFFAOYSA-N,3,1,0.384,33,760,443.431,0.71,5,0.397,0.72,0.515,0.23087005688438078,0.07715372489891029,0.021006099650469467,0.005885477349050785,0.08372883969570281
EOS-3-09228,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)n4)n23)cc1,HHWACDNSNDLHTI-UHFFFAOYSA-N,3,1,0.376,62,331,414.404,2.538,5,0.485,0.8,1.0,0.06288122815434172,0.1882838736207251,0.3422400795010623,0.30505105887190737,0.22461406003700912
EOS-3-09229,CC(C)(O)c1ccc(-c2cncc3nnc(-c4nccnc4-c4cnc(F)cn4)n23)cn1,UYDUEECXKRIHLU-UHFFFAOYSA-N,3,1,0.318,86,953,429.419,2.467,5,0.458,0.67,0.828,0.2820145980398876,0.37635357412103354,0.342248646425879,0.22148070728531286,0.30552438146802824
EOS-3-09230,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(F)c1,BXKIRRFLPGXWFE-UHFFFAOYSA-N,3,1,0.298,64,27,453.416,3.979,6,0.43,0.75,1.0,0.29570454389692274,0.3763621410458502,0.6197056404632993,0.6914108011788088,0.4957957816462203
EOS-3-09231,c1cnc(Oc2ccc(-c3nnc4cncc(COCC5CCOCC5)n34)cc2)nc1,RSXORKAYIZQUFV-UHFFFAOYSA-N,3,1,0.477,5,548,418.457,3.317,5,0.451,0.83,1.0,0.2364813926392982,0.047366527311356314,0.04402542663285587,0.1130234391062984,0.1102241964224522
EOS-3-09233,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)cc1,JUPSGPVJCNXDKH-UHFFFAOYSA-N,3,1,0.313,39,543,438.386,2.894,6,0.404,0.72,1.0,0.29571311082173946,0.3134123774929751,0.21198855458844493,0.3081522856555411,0.28231658213967514
EOS-3-09234,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cn2)cn1,FBHWVJRZZUAMRF-UHFFFAOYSA-N,3,1,0.3,42,664,435.426,3.635,6,0.39,0.77,0.999,0.011993694743334933,0.15919059694332122,0.5260006168185868,0.5306181892947708,0.3069507744500034
EOS-3-09235,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,ZPXLTKGDAKVLDK-UHFFFAOYSA-N,3,1,0.684,84,73,429.871,3.918,5,0.404,0.79,1.0,0.821927900760743,0.9098074155301213,0.49127887053663216,0.5370776506065382,0.6900229593585085
EOS-3-09236,Cc1cccc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)n1,NPJYBLHBFHIPJK-UHFFFAOYSA-N,3,1,0.258,86,892,433.439,2.594,6,0.412,0.7,0.561,0.0014221095195668563,0.005525666506750737,0.08407580015077788,0.08264512370639435,0.043417174970872455
EOS-3-09237,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)cn2)cn1,IKEGFPZEBNBIPX-UHFFFAOYSA-N,3,1,0.289,76,387,437.402,2.63,6,0.413,0.69,0.906,0.194966074977726,0.28272565279967105,0.26893290384483587,0.317413131382359,0.26600944075114796
EOS-3-09238,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)cc1,ZQVVAPSQNBFZLD-UHFFFAOYSA-N,3,1,0.329,64,449,437.398,3.499,6,0.408,0.75,1.0,0.3572493317798643,0.342531354944829,0.30927455280652455,0.39393290384483587,0.3507470358440134
EOS-3-09239,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)nc1,CNKPHYIJEYUUFM-UHFFFAOYSA-N,3,1,0.603,73,82,433.834,4.015,5,0.413,0.75,1.0,0.8770474950311836,0.955357754780344,0.6744054554177232,0.7137276403262285,0.8051345863888698
EOS-3-09240,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)nn1,MKOJSWMNQIPGBQ-UHFFFAOYSA-N,3,1,0.324,98,865,447.466,2.809,6,0.401,0.69,1.0,0.05404016174354054,0.05089610033582345,0.0728102940168597,0.07359845109999315,0.06283625179905421
EOS-3-09241,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(F)cn5)nn4)n23)cn1,UOEUJASFASKEHZ-UHFFFAOYSA-N,3,1,0.505,92,185,446.406,1.24,5,0.408,0.7,1.0,0.19782742786649304,0.277542663285587,0.07058289356452607,0.04755499965732301,0.1483769960934823
EOS-3-09242,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nncs5)c4)n23)cc1F,RKNBSCDQXSFEKU-UHFFFAOYSA-N,3,1,0.473,89,788,462.47,2.783,5,0.409,0.72,1.0,0.5888218764992118,0.4232746213419231,0.2985144952367898,0.2185679528476458,0.3822947364813926
EOS-3-09243,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)cn1,PHHGYYDPWFDNBQ-UHFFFAOYSA-N,3,1,0.506,73,756,436.838,3.353,5,0.417,0.71,1.0,0.645603454184086,0.8241467342882599,0.5792012199300939,0.5855578781440615,0.6586273216366254
EOS-3-09244,CCn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cc1,SQYPAVRKCFASBO-UHFFFAOYSA-N,3,1,0.537,89,637,440.467,2.748,5,0.412,0.7,1.0,0.5137413474059351,0.14745390994448632,0.23665273113563157,0.1470084298540196,0.26121410458501815
EOS-3-09245,Cn1cc(F)nc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,OQOUABBQLOJLSR-UHFFFAOYSA-N,3,1,0.346,3,289,437.442,3.579,6,0.419,0.73,1.0,0.040401617435405386,0.1591991638681379,0.3204972243163594,0.35875711054759785,0.21971377904187514
EOS-3-09246,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnc(F)cn6)c5)n34)cn2)c1,ZUGNTDZDASXJSR-UHFFFAOYSA-N,3,1,0.356,42,151,453.416,3.774,6,0.401,0.75,1.0,0.0009337948050167911,0.18385477349050786,0.6494842711260366,0.694323555616476,0.3821490987595093
EOS-3-09247,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccncc5)no4)n23)nc1,NDOAUHZAFUDUAZ-UHFFFAOYSA-N,3,1,0.322,32,957,432.447,4.274,6,0.406,0.84,1.0,0.17502227400452333,0.12232711945719964,0.31687341511890893,0.34584675484887945,0.24001739085737783
EOS-3-09248,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cc(=O)n(C)cn5)cc4F)n23)nc1,QTDPQFJVHSQTMS-UHFFFAOYSA-N,3,1,0.489,4,677,443.442,2.974,5,0.412,0.72,1.0,0.4713350695634295,0.4498577890480433,0.5159687478582689,0.43193578233157426,0.467274347200329
EOS-3-09249,Cc1cnc(COc2cncc3nnc(-c4cccc(-c5cc(=O)n(C)cn5)c4)n23)cn1,CVPFODOBHFBTIQ-UHFFFAOYSA-N,3,1,0.452,4,506,426.44,2.229,5,0.42,0.74,1.0,0.2984373929134398,0.11889178260571585,0.20493797546432732,0.1398464807072853,0.19052840792269207
EOS-3-09250,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnc5)n4)n23)nc1,RAWLXSLVMNEICK-UHFFFAOYSA-N,3,1,0.378,85,647,443.858,2.381,5,0.437,0.65,0.999,0.12309814269069974,0.17554485641834008,0.20127989856761017,0.22148927421012954,0.18035304297169488
EOS-3-09251,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)c(F)c1,ISVWNHVIBODVGO-UHFFFAOYSA-N,3,1,0.329,25,508,439.414,3.443,6,0.411,0.71,1.0,0.290178877390172,0.3033034062093071,0.4241056130491399,0.47281714755671306,0.372601261051333
EOS-3-09253,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cc1,XXBNMUYUXHHQEZ-UHFFFAOYSA-N,3,1,0.36,62,302,467.92,4.461,6,0.409,0.83,1.0,0.24740422178054966,0.23170961551641422,0.39504660407100267,0.5140240559248852,0.3470461243232129
EOS-3-09254,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)n1,IHDITTVHNHNZCC-UHFFFAOYSA-N,3,1,0.292,76,387,433.439,2.501,6,0.412,0.7,0.997,0.040410184360222055,0.01892433692001919,0.0792526214789939,0.11539647728051539,0.06349590500993763
EOS-3-09255,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnn(C)c6)c5)n34)nc2)cc1F,CFUHYQYQAOUSCP-UHFFFAOYSA-N,3,1,0.262,70,151,451.469,3.887,6,0.404,0.75,1.0,0.002141731204166952,0.10313720786786375,0.6341323418545679,0.5947930230964293,0.33355107600575695
EOS-3-09256,FC(F)COc1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,WYQWTHOOYPSORU-UHFFFAOYSA-N,3,1,0.316,96,856,431.406,3.954,5,0.402,0.78,1.0,0.4454372558426427,0.4543896922760606,0.6744140223425399,0.6738486053046399,0.5620223939414708
EOS-3-09257,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)cn2)c1,AQOQCYIGGRWWIS-UHFFFAOYSA-N,3,1,0.29,10,673,439.87,4.083,6,0.444,0.76,0.403,0.009834829689534644,0.14015489000068534,0.5428431910081557,0.6246915907066,0.3293811253512439
EOS-3-09258,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6cccn6)n5)n34)cc2)nc1,ZVEXTKNZWXYNGS-UHFFFAOYSA-N,3,1,0.313,38,635,435.426,3.635,6,0.417,0.72,1.0,0.05404872866835721,0.13622267150983483,0.4092248646425879,0.41919676512918924,0.2546732574874923
EOS-3-09259,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)cc1,GEBFAWSCCNOCJK-UHFFFAOYSA-N,3,1,0.347,10,871,435.426,3.635,6,0.417,0.72,0.788,0.035963950380371465,0.17555342334315674,0.45665992735247757,0.5235419093962032,0.29792980261805224
EOS-3-09260,Fc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccncc6)nc5)n34)cn2)c1,JMCHGJOTNVWNKO-UHFFFAOYSA-N,3,1,0.333,42,673,435.426,3.635,6,0.417,0.72,0.998,0.023901720238503187,0.1223356863820163,0.5326656843259544,0.5730587348365431,0.3129904564457543
EOS-3-09261,Cc1nc(-c2ncc(F)cn2)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)n1,GRLWIAZPVZWUIY-UHFFFAOYSA-N,3,1,0.319,82,974,468.456,2.44,6,0.412,0.73,0.97,0.2060345418408608,0.1514032622849702,0.026026317593036804,0.041001302172572134,0.10611635597286
EOS-3-09262,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)c(F)c1,PREABRRDRIQION-UHFFFAOYSA-N,3,1,0.304,39,495,451.429,2.64,6,0.398,0.7,0.869,0.15354499348913714,0.2520817627304503,0.11722123226646564,0.18987732163662532,0.1781813275306696
EOS-3-09263,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)c2)n1,AEQQWPJWNIEBHE-UHFFFAOYSA-N,3,1,0.321,64,27,450.441,3.245,6,0.402,0.73,1.0,0.13164793365773422,0.21624631622232884,0.23327736275786443,0.33312487149612774,0.22857412103351382
EOS-3-09264,COc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)n5)cn4)n23)cc1,CLOZVIPYGTYJOW-UHFFFAOYSA-N,3,1,0.513,51,969,446.858,3.279,5,0.387,0.73,1.0,0.7607686244945514,0.7583184839969844,0.3877732849016517,0.32989514084024396,0.5591888835583578
EOS-3-09265,Cn1nnnc1-c1ccccc1COc1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,JVOLCRASLQNIEO-UHFFFAOYSA-N,3,1,0.489,36,728,428.416,1.055,5,0.418,0.75,1.0,0.39379583304776916,0.1838633404153245,0.03419059694332122,0.022942224659036392,0.15869799876636284
EOS-3-09266,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C)n4-c4ccnc(F)c4)n23)cc1,IASHXXMAUANDBC-UHFFFAOYSA-N,3,1,0.352,74,333,428.431,2.846,5,0.442,0.69,1.0,0.06110787471729148,0.11890034953053252,0.38778185182646835,0.28359091220615446,0.2128452470701117
EOS-3-09267,Clc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cncnn4)cc3)n12,CVWUZUNBCDWCJC-UHFFFAOYSA-N,3,1,0.554,35,161,430.859,3.313,5,0.404,0.72,1.0,0.9388407237338086,0.8939843053937359,0.5428517579329724,0.569888972654376,0.7363914399287231
EOS-3-09268,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cn1,DDSJGTUMKQDQIY-UHFFFAOYSA-N,3,1,0.306,32,191,431.463,3.711,6,0.419,0.76,1.0,0.09949626482077993,0.08066616407374409,0.34612946336782946,0.32337571105475976,0.21241690082927833
EOS-3-09269,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cccnc5)n4)n23)nc1,IOMCAYBSRKGKSO-UHFFFAOYSA-N,3,1,0.423,49,53,470.468,2.764,5,0.386,0.77,0.999,0.4962990884791995,0.22141217188677953,0.2545747378521006,0.18178157768487424,0.28851689397573843
EOS-3-09270,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cc2)nc1,XWTCWNRZUVVLSB-UHFFFAOYSA-N,3,1,0.343,38,608,429.447,3.767,6,0.417,0.74,1.0,0.12310670961551641,0.13623123843465149,0.2724710437941197,0.2776883010074704,0.20237432321293952
EOS-3-09271,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1,IRUHRNGHLKNIIH-UHFFFAOYSA-N,3,1,0.319,9,339,431.463,3.711,6,0.419,0.74,1.0,0.12870947844561717,0.07716229182372696,0.3841237749297512,0.39693132753066956,0.24673171818244122
EOS-3-09272,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nc1,YTOVDQKHFMOLCN-UHFFFAOYSA-N,3,1,0.316,94,515,431.463,3.711,6,0.419,0.74,0.999,0.17503084092934001,0.05872626961825783,0.2689414707696525,0.29858303063532315,0.2003204029881434
EOS-3-09273,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4c(F)ccc(F)c4Cl)n23)nc1,NPUGKMGWQZEOTK-UHFFFAOYSA-N,3,1,0.412,90,244,462.819,3.396,4,0.423,0.69,1.0,0.547375094236173,0.40018675896100336,0.7372267150983483,0.7242306901514632,0.602254814611747
EOS-3-09274,Fc1ccnc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ncccn6)nc5)n34)n2)c1,NWSXYMGKEZAPLG-UHFFFAOYSA-N,3,1,0.3,76,557,448.425,3.301,6,0.4,0.7,1.0,0.20604310876567747,0.3082636556781578,0.22574703584401343,0.28053252004660406,0.2551465800836132
EOS-3-09276,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)c1,ILFBGULXNCZKNZ-UHFFFAOYSA-N,3,1,0.381,10,952,452.869,3.544,6,0.399,0.77,0.996,0.023910287163319853,0.1838719073401412,0.25458330477691726,0.40625214173120416,0.2171544102528956
EOS-3-09277,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cn2)c1,LQVZAIRQRXDBTM-UHFFFAOYSA-N,3,1,0.358,32,693,447.437,3.906,6,0.4,0.75,1.0,0.25012850387225,0.3714447262010829,0.6077290795695977,0.6480193269823864,0.46933040915632923
EOS-3-09278,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc(F)n2)ccn1,VONNMASZXBUGLH-UHFFFAOYSA-N,3,1,0.505,89,230,455.453,3.374,5,0.39,0.76,1.0,0.7694726201082859,0.34253992186964566,0.6077376464944144,0.4413508327050922,0.5402752552943595
EOS-3-09279,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ccn1,HWXUORIJKIFLMQ-UHFFFAOYSA-N,3,1,0.494,89,731,426.44,2.265,5,0.441,0.7,1.0,0.5716623260914262,0.147462476869303,0.24029367418271538,0.1287266122952505,0.27203627235967376
EOS-3-09280,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cccnc5Cl)n4)n23)cc1,KFUGXLFQSFBYAN-UHFFFAOYSA-N,3,1,0.418,14,319,459.872,3.731,5,0.401,0.73,0.998,0.22246590363922966,0.2673137550544856,0.595007196216846,0.594801590021246,0.4198971112329518
EOS-3-09281,CCn1cc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c(-c2cncc(F)c2)n1,QSEACGMPDXRMTP-UHFFFAOYSA-N,3,1,0.341,82,859,429.419,2.37,5,0.454,0.66,0.994,0.14777088616270304,0.22142073881159618,0.1340723733808512,0.1266791172640669,0.15748577890480434
EOS-3-09282,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ncnc(-c5ccccn5)n4)n23)cc1,BCGXOQLUSVQGBN-UHFFFAOYSA-N,3,1,0.315,64,365,430.435,3.162,6,0.415,0.71,0.978,0.09002981289836201,0.03384791995065451,0.06636796655472552,0.11046192858611473,0.07517690699746418
EOS-3-09283,CCc1nc(OC)nc(Oc2ccc(-c3cncc4nnc(-c5ccc(C#N)nc5)n34)cc2)n1,MBMXGGADAANSFE-UHFFFAOYSA-N,3,1,0.304,82,336,451.45,3.273,5,0.378,0.8,1.0,0.44775032554314304,0.3233842779795765,0.14619457199643615,0.08794805016791173,0.25131930642176686
EOS-3-09284,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(-c5nn[nH]n5)nc4)n23)cc1,HURHZPNEGVESPD-UHFFFAOYSA-N,3,1,0.382,52,916,452.482,2.044,6,0.382,0.8,0.999,0.16439928723185526,0.06998320882735933,0.029350284421903912,0.0435114111438558,0.07681104790624357
EOS-3-09285,COc1cc(-c2ccccn2)ncc1-c1nnc2cncc(-c3cccc(-c4nnnn4C)c3)n12,JIJRGMXXTIDCAQ-UHFFFAOYSA-N,3,1,0.318,25,373,462.477,3.114,6,0.38,0.78,1.0,0.09705469124802961,0.0547426495785073,0.16815160030155576,0.160124391748338,0.12001833321910768
EOS-3-09286,Cc1ccn(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cn6)nc5)n34)n2)n1,AIUDOHYTVJHVLF-UHFFFAOYSA-N,3,1,0.277,86,902,450.441,3.339,6,0.402,0.73,1.0,0.020731958056336097,0.10314577479268042,0.2187050236447125,0.23915427318209856,0.1454342574189569
EOS-3-09287,CCOC(=O)c1nc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)n(C(C)C)n1,NPDDLFPXPCHLGI-UHFFFAOYSA-N,3,1,0.33,63,792,452.45,2.306,4,0.441,0.72,0.967,0.22834281406346377,0.2268007675964636,0.01462374066205195,0.002955589061750394,0.11818072784593243
EOS-3-09288,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccncn5)sc4C)n23)cc1,AVYIGWQWGKKCCN-UHFFFAOYSA-N,3,1,0.452,89,731,458.507,2.952,5,0.412,0.74,1.0,0.38714789939003497,0.2775512302104037,0.07059146048934274,0.029153245151120555,0.1911109588102255
EOS-3-09289,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CC(F)C6)cc5)n34)cn2)ccn1,QNQUJSKAGRIDPZ-UHFFFAOYSA-N,3,1,0.333,52,376,465.492,4.018,6,0.398,0.82,0.999,0.2526643136179837,0.20198238640257693,0.28395072304845453,0.3395072304845453,0.2695261633883901
EOS-3-09290,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccncn6)c5)n34)nc2)nc1,KGBWKIKAMTWLGR-UHFFFAOYSA-N,3,1,0.276,70,664,436.414,3.03,6,0.414,0.69,0.997,0.010485915975601398,0.09039819066547872,0.4059265985881708,0.4255105887190734,0.23308032348708108
EOS-3-09291,Fc1ccccc1-c1ncnnc1-c1nnc2cncc(-c3ncn(-c4ccccc4)n3)n12,JTKGBXSNIIYNCX-UHFFFAOYSA-N,3,1,0.318,10,748,436.414,3.03,6,0.414,0.69,0.841,0.007290453018984305,0.09357651977246248,0.16183777671167157,0.3016842574189569,0.1410972517305188
EOS-3-09292,Fc1ccccc1-n1cnc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)n1,IJTPKCYNBRCIAT-UHFFFAOYSA-N,3,1,0.299,30,748,436.414,3.03,6,0.414,0.69,0.839,0.01282468645055171,0.09670344733054623,0.15540401617435406,0.2954561030772394,0.14009706325817284
EOS-3-09293,FC(F)c1nccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)n1,YIFCQKGUJLWXKQ-UHFFFAOYSA-N,3,1,0.398,68,900,424.293,2.907,4,0.451,0.69,1.0,0.7003461037625934,0.6164416421081489,0.8153570694263587,0.5886077033787952,0.680188129668974
EOS-3-09294,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cc1,NLYCYOZFBCQVGF-UHFFFAOYSA-N,3,1,0.299,39,972,437.402,2.425,6,0.409,0.68,1.0,0.0066479336577342195,0.0967120142553629,0.21871359056952916,0.31129634706325815,0.15834247138647112
EOS-3-09295,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)n4C)n23)cc1,SPFQWKNBZDUZII-UHFFFAOYSA-N,3,1,0.316,98,882,439.447,1.178,6,0.396,0.69,1.0,0.05930882050579124,0.03065245699403742,0.008361318621067782,0.007247618394900966,0.026392553628949354
EOS-3-09296,COCc1nccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)n1,QGYNALYAWMLDFL-UHFFFAOYSA-N,3,1,0.323,76,423,439.439,1.951,5,0.419,0.65,0.972,0.1978359947913097,0.0664793365773422,0.060396819957508056,0.03625522582413817,0.09024184428757454
EOS-3-09297,Cc1ccnc(COc2cncc3nnc(-c4ccc(F)c(-c5nc(C)nn5C)c4)n23)n1,VWHNEOJZQANTEI-UHFFFAOYSA-N,3,1,0.461,36,404,431.435,2.712,5,0.418,0.74,1.0,0.4765009252278802,0.512353505585635,0.10337708176273044,0.08446131176752793,0.2941732060859434
EOS-3-09298,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,VMKWPFTWRNTSKO-UHFFFAOYSA-N,3,1,0.483,72,820,434.822,3.41,5,0.414,0.75,1.0,0.8088976081145912,0.8667414844767323,0.5730673017613598,0.6247001576314166,0.718351637996025
EOS-3-09299,OCc1ccc(COc2cncc3nnc(-c4ccc(-n5cncn5)c(Cl)c4)n23)nc1,PTGORUYJDYTLJA-UHFFFAOYSA-N,3,1,0.522,4,677,434.847,2.492,5,0.433,0.76,0.989,0.3639829346857652,0.4455314920156261,0.5463898978822562,0.510288876704818,0.46654830032211636
EOS-3-09300,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)nn1,BTVXXMFKBBZTOJ-UHFFFAOYSA-N,3,1,0.299,98,154,439.418,2.573,6,0.444,0.68,0.986,0.20605167569049415,0.2724539099444863,0.20840758001507778,0.23617298334589815,0.23077153724898908
EOS-3-09301,O=C(NCCF)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nc5)nc4)n23)cc1,FPQHFOIHVJAUHF-UHFFFAOYSA-N,3,1,0.383,62,319,471.471,3.678,5,0.364,0.83,0.998,0.16977074909190598,0.15920773079295455,0.553072099239257,0.46965595229936263,0.33792663285587005
EOS-3-09302,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)cn4)n23)cc1F,JBWFWRSWDGGMPV-UHFFFAOYSA-N,3,1,0.478,7,242,443.402,1.855,5,0.415,0.7,1.0,0.5888304434240285,0.35728359947913096,0.20128846549242685,0.15457302446713728,0.32549388321568085
EOS-3-09303,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cc(-c4ccc(F)nc4)ncn3)n12,UIHXQHARZGSZHW-UHFFFAOYSA-N,3,1,0.327,74,139,426.415,2.857,5,0.438,0.72,0.991,0.13945240216571858,0.2064885888561442,0.4706754163525461,0.38440648344870126,0.30025572270577755
EOS-3-09304,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cn1,LEWKQNUABYOHBA-UHFFFAOYSA-N,3,1,0.293,42,608,420.44,2.834,6,0.432,0.75,1.0,0.004120690836817216,0.01192515934480159,0.28774587074223834,0.25076245630868343,0.13863854430813516
EOS-3-09305,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)nn1,MPMSLFRJTGDKMT-UHFFFAOYSA-N,3,1,0.459,53,602,446.862,2.412,5,0.383,0.72,1.0,0.6456120211089027,0.7795644575423206,0.07718799259817696,0.09762010828592968,0.39999614488383245
EOS-3-09306,Cn1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1-c1ccc(Cl)cc1,RRUPWECAVVCIAY-UHFFFAOYSA-N,3,1,0.366,62,341,469.936,4.404,6,0.412,0.83,1.0,0.13946096909053526,0.2827342197244877,0.3649852648893153,0.4969930093893496,0.32104336577342196
EOS-3-09307,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ccc4F)n23)cn1,GNLZSEYPSMCNRC-UHFFFAOYSA-N,3,1,0.489,73,82,460.404,2.599,5,0.409,0.71,1.0,0.7369268727297649,0.46326502638612843,0.477383318483997,0.4192053320540059,0.5241951374134741
EOS-3-09308,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccc4F)n23)cn1,QUVTYBADTZILST-UHFFFAOYSA-N,3,1,0.436,55,109,460.404,2.599,5,0.409,0.71,1.0,0.6611010211774382,0.40019532588582,0.5463984648070729,0.4728257144815297,0.5201301315879652
EOS-3-09309,Cc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)n1,YJOWGJWFHRVZKL-UHFFFAOYSA-N,3,1,0.281,32,957,443.474,4.076,6,0.401,0.77,1.0,0.13694229319443493,0.08737406620519499,0.3539853334247139,0.3331334384209444,0.22785878281132205
EOS-3-09310,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cc2)nc1,RXNXDFAZKOLFBD-UHFFFAOYSA-N,3,1,0.321,30,289,434.438,4.24,6,0.413,0.77,1.0,0.07246761702419299,0.19715064080597627,0.5394763895552053,0.6099222123226646,0.35475421492700976
EOS-3-09311,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cc1,YJFNPKSOOMLLOJ-UHFFFAOYSA-N,3,1,0.329,42,339,430.475,4.316,6,0.414,0.79,1.0,0.11786375162771572,0.054751216503323964,0.6283153999040504,0.5976972106092797,0.34965689466109245
EOS-3-09312,CCCOc1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5CC)cn4)n23)cn1,CSIBKTDWTWELQS-UHFFFAOYSA-N,3,1,0.298,50,974,427.472,3.316,5,0.389,0.82,1.0,0.1896460146665753,0.08416146939894456,0.045798780069906106,0.030952299362620794,0.08763964087451169
EOS-3-09313,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)s1,AJFQZWJAWQCFMZ-UHFFFAOYSA-N,3,1,0.517,89,926,444.48,2.691,5,0.422,0.69,1.0,0.36862620793639916,0.1755619902679734,0.11722979919128229,0.06145911863477486,0.18071927900760743
EOS-3-09314,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(Cl)c5)cn4)n23)nc1,DISGJWQWZQAROT-UHFFFAOYSA-N,3,1,0.33,96,680,428.839,4.267,5,0.455,0.76,1.0,0.17503940785415667,0.1630628469604551,0.6283239668288672,0.645217942567336,0.4029110410527037
EOS-3-09315,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)cn5)cc4F)n23)c(OC)n1,QKFBRNZLLOFPGJ-UHFFFAOYSA-N,3,1,0.297,82,336,458.457,2.761,5,0.431,0.73,1.0,0.4641645534918786,0.37637070797066685,0.2765917346309369,0.1678431910081557,0.3212425467754095
EOS-3-09316,CC1(c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)COC1,CZAMKKZUVBYKNT-UHFFFAOYSA-N,3,1,0.575,48,378,433.443,2.896,5,0.501,0.65,0.993,0.884749160441368,0.5723048454526763,0.7969381810705229,0.6508806798711535,0.7262182167089302
EOS-3-09317,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)nc1,COMWGNYWSWGPQB-UHFFFAOYSA-N,3,1,0.305,39,654,452.417,2.035,6,0.39,0.7,1.0,0.1810191213761908,0.24194709067233225,0.045807346994722775,0.0997704064149133,0.14213599136453978
EOS-3-09318,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,FNJCIAJVFVAQJD-UHFFFAOYSA-N,3,1,0.297,38,608,432.451,3.106,6,0.418,0.71,1.0,0.03730895757658831,0.05475978342814063,0.2545918717017339,0.24782400109656638,0.14862115345075733
EOS-3-09319,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cccnc5)c4)n23)nn1,QVDGEGGACJAMNB-UHFFFAOYSA-N,3,1,0.25,70,887,432.451,3.106,6,0.418,0.71,0.67,0.03731752450140498,0.027825371804537043,0.2580357754780344,0.28359947913097117,0.1516945377287369
EOS-3-09320,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccccc4)n23)cn1,HQGJORHSHRHTLV-UHFFFAOYSA-N,3,1,0.329,64,365,432.451,3.106,6,0.418,0.71,0.998,0.1369508601192516,0.05090466726064012,0.11120725104516482,0.15458159139195393,0.11341109245425261
EOS-3-09321,Cc1cccc(COc2cncc3nnc(-c4cc(CO)nc(-c5ncccc5F)c4)n23)n1,SMQCFVNSICWKJR-UHFFFAOYSA-N,3,1,0.511,4,92,443.442,3.162,5,0.426,0.75,0.997,0.6060756630799808,0.5397590980741553,0.442413131382359,0.3718302378178329,0.490019532588582
EOS-3-09322,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(-c5nnc(F)cc5F)n4)n23)cc1,JRFKGGOTVWHCBA-UHFFFAOYSA-N,3,1,0.406,96,140,464.823,3.341,5,0.432,0.7,0.913,0.2791618120759372,0.394986635597286,0.5496624631622233,0.5948101569460627,0.4546552669453773
EOS-3-09323,N#Cc1ccc(-c2nnc3cncc(-c4ncnn4Cc4ccc(Cl)c(F)c4)n23)cc1,YYLAWJZFVVVUPW-UHFFFAOYSA-N,3,1,0.461,22,316,430.834,3.762,5,0.43,0.75,1.0,0.3481084230004797,0.4942344595983826,0.7704920841614694,0.8645140840243986,0.6193372626961826
EOS-3-09324,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnccn6)n5)n34)cc2)nn1,KEVUHCGGALIDMY-UHFFFAOYSA-N,3,1,0.307,98,167,434.427,1.896,6,0.404,0.71,0.99,0.04477074909190597,0.025546569803303405,0.07501199369474333,0.0879566170927284,0.05832148242067027
EOS-3-09325,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nn2)n1,ICMHPLWPNRORNO-UHFFFAOYSA-N,3,1,0.304,86,944,434.427,1.896,6,0.404,0.71,0.536,0.06633369885545884,0.05091323418545679,0.07060002741415941,0.07360701802480982,0.06536349461997121
EOS-3-09326,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,FZCDCFMVPCOCOO-UHFFFAOYSA-N,3,1,0.421,67,622,447.462,3.836,6,0.392,0.8,1.0,0.42010485915975604,0.2568792406277843,0.3241038996641765,0.29245767939140566,0.32338641971078064
EOS-3-09327,COc1ncc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(CO)cc3)n12,ZUYGMOVNLYGQRQ-UHFFFAOYSA-N,3,1,0.539,16,82,459.441,2.862,5,0.392,0.77,1.0,0.9019429785484202,0.7034387636214104,0.5123877732849017,0.3654992803783154,0.6208171989582619
EOS-3-09328,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)nc1,GWSVGFXALYMLMA-UHFFFAOYSA-N,3,1,0.302,10,871,438.43,2.974,6,0.417,0.69,0.904,0.009098074155301212,0.12234425330683298,0.2947878829415393,0.3331420053457611,0.18984305393735865
EOS-3-09329,CC(C)(O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(F)c5)ccn4)n23)cn1,DHLMCBDZQQOYEH-UHFFFAOYSA-N,3,1,0.353,96,204,426.455,4.282,5,0.461,0.78,1.0,0.3732694811870331,0.48952265094921527,0.8587571105475978,0.7662086217531355,0.6219394661092454
EOS-3-09330,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4cncc(-c5ccccn5)n4)n23)c1,XPCFYEQICIGVTC-UHFFFAOYSA-N,3,1,0.523,24,401,433.834,4.015,5,0.413,0.76,1.0,0.6255311493386334,0.7496230553080666,0.6494928380508532,0.7111404290315948,0.6839468679322871
EOS-3-09331,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cc1,XVQWSNUPOUYWMB-UHFFFAOYSA-N,3,1,0.322,94,151,437.402,2.425,6,0.409,0.69,0.998,0.008412720169967788,0.14369302994996916,0.30565074360907407,0.3844150503735179,0.21054288602563223
EOS-3-09332,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)n1,YVOSQXMXRFVPLB-UHFFFAOYSA-N,3,1,0.523,4,32,431.847,2.974,5,0.413,0.69,1.0,0.6704047015283394,0.8986275786443698,0.2119971215132616,0.2716057843876362,0.5131587965184018
EOS-3-09333,Cn1cc(-c2cnc(CCc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)cn1,QALFKNSFCDJPGL-UHFFFAOYSA-N,3,1,0.405,85,580,434.866,3.56,5,0.42,0.77,1.0,0.34811698992529644,0.5169539442121855,0.5193783839353026,0.5855664450688781,0.4925039407854157
EOS-3-09334,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(C(=O)O)cc4)n23)n1C,ANNQFHUNIWDMFQ-UHFFFAOYSA-N,3,1,0.412,96,574,428.427,4.005,5,0.465,0.76,1.0,0.21425022274004524,0.13265883078610102,0.4566684942772942,0.4030995133986704,0.30166926530052773
EOS-3-09335,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(C)n5)ncc4F)n23)cc1,OLDYVWNTRFJPPE-UHFFFAOYSA-N,3,1,0.468,89,731,470.468,3.029,5,0.402,0.75,1.0,0.7520731958056336,0.4048300322116373,0.4164639161126722,0.2507710232335001,0.4560345418408608
EOS-3-09336,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccncn6)c5)n34)cn2)cc1,HZNJPDXUOWYECY-UHFFFAOYSA-N,3,1,0.318,42,664,435.426,3.635,6,0.417,0.73,1.0,0.008421287094784456,0.17980261805222397,0.585540744294428,0.6189688849290659,0.3481833835926256
EOS-3-09337,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CCOCC5F)nc4)n23)nc1,IDPMPQDTKQSMNO-UHFFFAOYSA-N,3,1,0.288,63,686,476.472,1.465,5,0.442,0.73,0.985,0.12311527654033308,0.0367778082379549,0.12296963881844973,0.08265369063121102,0.09137910355698718
EOS-3-09338,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4)n23)cn1,FHPHQURBYMBITF-UHFFFAOYSA-N,3,1,0.284,98,369,421.428,2.434,6,0.46,0.73,1.0,0.16698649852648892,0.10315434171749709,0.16184634363648825,0.1652645466383387,0.14931293262970324
EOS-3-09339,Fc1ccc(-n2cc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)cc1,CKEAPLRBIYZQNB-UHFFFAOYSA-N,3,1,0.33,10,39,423.415,3.364,6,0.432,0.76,0.981,0.00012850387225001714,0.03385648687547118,0.44954937975464326,0.5535775478034405,0.25927797957645127
EOS-3-09340,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)o5)nc4OC)n23)cn1,FIKQJSAQUZIEAB-UHFFFAOYSA-N,3,1,0.318,82,204,442.439,2.58,5,0.436,0.7,1.0,0.3732780481118498,0.12595092865465013,0.09331951202796245,0.026291892262353504,0.15471009526420396
EOS-3-09341,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nn1,VRMOFRJGMJLMHV-UHFFFAOYSA-N,3,1,0.269,10,37,436.414,3.03,6,0.414,0.7,0.965,0.006656500582550888,0.12235282023164964,0.26520629154958536,0.36858337331231583,0.19069974641902543
EOS-3-09342,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)cc1,NVODNJYVYKYMDY-UHFFFAOYSA-N,3,1,0.726,75,166,429.871,3.918,5,0.404,0.78,1.0,0.8883644027140017,0.8201802480981427,0.5159773147830855,0.5503478171475568,0.6937174456856966
EOS-3-09343,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)cn2)n1,FLKHAJMWADJBQZ-UHFFFAOYSA-N,3,1,0.263,99,286,435.455,2.538,6,0.415,0.69,0.968,0.000762456308683435,0.02106606812418614,0.09332807895277911,0.0844698786923446,0.04990662051949832
EOS-3-09344,COC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)nc1,SRFJBLZTBKODKH-UHFFFAOYSA-N,3,1,0.415,89,348,439.435,3.009,5,0.368,0.79,1.0,0.4839027482694812,0.15921629771777124,0.3276591734630937,0.20690836817216093,0.2944216469056268
EOS-3-09345,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,BTFLKJVJVFVGQG-UHFFFAOYSA-N,3,1,0.615,43,520,435.85,3.958,5,0.415,0.75,1.0,0.8749485984511,0.9077513535741211,0.7586354602152011,0.7807552600918375,0.8305226680830649
EOS-3-09346,Cc1ccnc(-c2ncncc2-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,YVVPYGQGTBUNMJ-UHFFFAOYSA-N,3,1,0.447,7,435,431.847,2.974,5,0.413,0.73,1.0,0.6517202385031869,0.5677129737509423,0.204946542389144,0.23916284010691521,0.4158856486875471
EOS-3-09347,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cn1,FGFQCUVZIIPMTC-UHFFFAOYSA-N,3,1,0.295,98,213,447.466,2.809,6,0.401,0.71,1.0,0.03886813789322185,0.03066102391885409,0.07926118840381056,0.09569255020217943,0.06112072510451648
EOS-3-09348,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)c(F)c5)ns4)n23)cc1,LFUUBQDGRZCQFY-UHFFFAOYSA-N,3,1,0.415,62,837,465.901,4.129,5,0.428,0.8,1.0,0.22835138098828045,0.3903604961962854,0.4881348091289151,0.517202385031869,0.4060122678363375
EOS-3-09349,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)c2)o1,KXBLRQMWRZNAJI-UHFFFAOYSA-N,3,1,0.298,42,723,433.435,3.669,6,0.41,0.74,1.0,0.13165650058255088,0.11890891645534919,0.29120690836817215,0.2805410869714207,0.20557835309437322
EOS-3-09350,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2F)ncn1,QHLCALXDHPVEJN-UHFFFAOYSA-N,3,1,0.511,20,846,428.431,3.107,5,0.406,0.73,1.0,0.8438677952162292,0.8084606949489411,0.41647248303748885,0.3685919402371325,0.609348228359948
EOS-3-09351,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)nc2)cn1,PMWLTQPIJPXIKG-UHFFFAOYSA-N,3,1,0.264,94,165,430.435,3.162,6,0.415,0.72,0.966,0.0704715235419094,0.069991775752176,0.3612757864436982,0.3491278870536632,0.2127167431978617
EOS-3-09352,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c(F)c1,JHERZCZFGBCDLP-UHFFFAOYSA-N,3,1,0.32,42,219,455.482,3.911,6,0.397,0.78,1.0,0.23353437050236447,0.332525186758961,0.3766448495648002,0.45080871770269343,0.34837828113220476
EOS-3-09353,CCn1nc(-c2ccc(F)cn2)nc1-c1cncc2nnc(-c3ccc(C(N)=O)cn3)n12,OMWJZALQBGVKEU-UHFFFAOYSA-N,3,1,0.34,33,432,430.407,1.765,5,0.444,0.66,0.944,0.1120639435268316,0.1592248646425879,0.017485093550818998,0.0212631073949695,0.077509252278802
EOS-3-09354,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)c1,FUCQRQWQTSNERX-UHFFFAOYSA-N,3,1,0.293,10,748,454.404,3.169,6,0.399,0.71,0.971,0.004129257761633884,0.11276643136179837,0.3727126310739497,0.5503563840723734,0.2599911760674388
EOS-3-09355,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(O)cc5)n4)n23)nc1,WXQNPLCZQQEAER-UHFFFAOYSA-N,3,1,0.29,76,776,423.436,2.981,5,0.456,0.78,1.0,0.3139349599067919,0.15141182920978685,0.3129668974025084,0.24204989377013228,0.25509089507230487
EOS-3-09356,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)s1,FLQUGHXYRLRWQU-UHFFFAOYSA-N,3,1,0.364,96,648,448.458,4.267,5,0.443,0.72,1.0,0.18102768830100746,0.3474659036392297,0.5824309505859776,0.6099307792474813,0.43021383044342404
EOS-3-09357,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cc(F)nc(F)c5)n4)n23)cc1,SSTWQABZRHJWNZ-UHFFFAOYSA-N,3,1,0.369,62,139,461.407,3.692,5,0.41,0.75,1.0,0.30079329723802345,0.3617898019326982,0.7705006510862861,0.7081505722705778,0.5353085806318963
EOS-3-09358,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc1,UTGRTLSYCFHOEU-UHFFFAOYSA-N,3,1,0.531,68,12,411.372,2.458,4,0.519,0.83,1.0,0.579895140840244,0.3949952025221027,0.542860324857789,0.3233842779795765,0.46028373654992805
EOS-3-09359,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)ccn1,YBRFNUZHDVQSHT-UHFFFAOYSA-N,3,1,0.311,42,339,429.447,3.767,6,0.417,0.75,1.0,0.13166506750736756,0.09672058118017957,0.5326742512507711,0.537086217531355,0.3245365293674183
EOS-3-09360,Fc1ccc(-c2ncccn2)cc1-c1nnc2cncc(-c3cccc(-c4cnon4)n3)n12,KRPCHFGUZXJFQX-UHFFFAOYSA-N,3,1,0.338,76,557,437.398,3.499,6,0.408,0.74,1.0,0.31641936810362553,0.3810396819957508,0.38779041875128506,0.4255191556438901,0.3776921561236378
EOS-3-09361,COc1ncccc1-c1nncnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,JBBSOZYXBLUUCF-UHFFFAOYSA-N,3,1,0.324,52,295,465.477,2.606,6,0.402,0.75,1.0,0.2501370707970667,0.0587348365430745,0.04740936193543965,0.05407442944280721,0.10258892467959702
EOS-3-09362,Cc1nc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)nn5)n34)c2)n(C)n1,ZZQNMKQIHHTITO-UHFFFAOYSA-N,3,1,0.366,36,351,433.863,2.918,5,0.416,0.73,1.0,0.3314543211568775,0.34747447056404634,0.1087142759235145,0.11540504420533206,0.2257620279624426
EOS-3-09363,Cn1ncc(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3nccnc3-c3cccnc3)n12,ULNFAUVNPAQWQK-UHFFFAOYSA-N,3,1,0.313,64,449,449.453,3.85,6,0.403,0.77,0.979,0.12573675553423344,0.19715920773079296,0.3686947433349325,0.46341923103282845,0.28875248440819684
EOS-3-09364,Cn1c(-c2ccc(F)cc2)nnc1-c1cncc2nnc(-c3ncncc3-c3ccccc3)n12,FWHUSROSRLKSMD-UHFFFAOYSA-N,3,1,0.329,3,474,449.453,3.85,6,0.403,0.77,0.978,0.1477794530875197,0.3280189843053937,0.25804434240285107,0.4160355698718388,0.2874695874169008
EOS-3-09365,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cccc(C(F)(F)F)n5)n4)n23)nc1,QWEDKVVCCQUZAB-UHFFFAOYSA-N,3,1,0.314,33,776,477.41,3.084,5,0.419,0.78,0.331,0.3338873278048112,0.2880457131108217,0.619714207388116,0.4062607086560208,0.41197698923994247
EOS-3-09366,COc1cc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(C(=O)O)nc5)n34)c2)cnn1,GKYUCSHDMCDUMM-UHFFFAOYSA-N,3,1,0.324,96,478,443.398,3.156,5,0.435,0.71,1.0,0.4087451168528545,0.3033119731341238,0.5159858817079022,0.3844236172983346,0.40311664724830376
EOS-3-09367,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)nn1,SGLPZJRSMPWIRE-UHFFFAOYSA-N,3,1,0.553,89,731,439.439,2.025,5,0.419,0.67,1.0,0.4936861764101158,0.13623980535946817,0.15865088067987115,0.08612329518196149,0.21867503940785415
EOS-3-09368,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(Br)ccc4F)n23)nc1,QIJBEDZYSOTJED-UHFFFAOYSA-N,3,1,0.435,63,683,483.301,3.559,5,0.451,0.87,1.0,0.4594441779178946,0.2983003221163731,0.37665341648961687,0.4602666027002947,0.3986661298060448
EOS-3-09369,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nncs5)s4)n23)cc1,JGMQKKRXXYDAKZ-UHFFFAOYSA-N,3,1,0.517,89,707,450.509,2.705,5,0.419,0.71,1.0,0.49630765540401617,0.2470444109382496,0.04105270372147214,0.01966965937906929,0.20101860736070182
EOS-3-09370,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)cn5)n34)nc2)c1,GZGVACUVTNZYAD-UHFFFAOYSA-N,3,1,0.247,70,813,435.455,2.444,6,0.414,0.69,0.756,0.06844972928517579,0.04357137961757248,0.152542663285587,0.12006545130559934,0.09615730587348364
EOS-3-09371,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6nccn6C)nc5)n34)nc2)cn1,KYLWCXSJVNROGL-UHFFFAOYSA-N,3,1,0.276,86,780,435.455,2.444,6,0.414,0.69,1.0,0.041849427729422246,0.030669590843670755,0.10872284284833117,0.08977280515386198,0.06775366664382154
EOS-3-09372,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1F,YFWRHWZVASLJOL-UHFFFAOYSA-N,3,1,0.542,90,555,412.812,2.917,4,0.506,0.82,1.0,0.7810122678363375,0.539767664998972,0.6824240970461243,0.609939346172298,0.6532858440134328
EOS-3-09373,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,WCOBXEOCEFMUPY-UHFFFAOYSA-N,3,1,0.32,25,791,445.49,4.194,6,0.392,0.79,1.0,0.0995048317455966,0.09970187101637996,0.2012970324172435,0.2924662463162223,0.1732424953738606
EOS-3-09374,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)cnc5F)nn4)n23)cn1,JHPJPMGSSYEBGV-UHFFFAOYSA-N,3,1,0.327,50,997,460.408,1.999,6,0.395,0.74,0.993,0.054057295593173876,0.19249880063052566,0.08408436707559454,0.1601329586731547,0.1226933554931122
EOS-3-09375,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncnc4-c4ccccc4)n23)cc1,LVIJOQYWBXCSOF-UHFFFAOYSA-N,3,1,0.347,9,642,431.463,3.711,6,0.419,0.75,1.0,0.17504797477897335,0.05092180111027346,0.32766774038791036,0.36860050716194914,0.23055950585977658
EOS-3-09376,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)cc1,GRAWVIMWCSLOKW-UHFFFAOYSA-N,3,1,0.316,64,449,447.437,3.906,6,0.4,0.76,0.989,0.24741278870536632,0.3325337536837777,0.5123963402097184,0.5730673017613598,0.41635254609005556
EOS-3-09377,Fc1ccnc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)c1,MPXRKPGFTCUZEJ-UHFFFAOYSA-N,3,1,0.296,70,957,437.398,3.499,6,0.408,0.76,1.0,0.20331025974916045,0.28274278664930436,0.2912154752929888,0.3718388047426496,0.2872768316085258
EOS-3-09378,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5Cl)cn4)n23)cc1,BRJGETSKMCLCMF-UHFFFAOYSA-N,3,1,0.479,1,731,471.908,3.84,5,0.401,0.81,1.0,0.6456205880337195,0.5397762319237887,0.5193869508601192,0.4634277979576451,0.5420528921938181
EOS-3-09379,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(C)nn5)cn4)n23)cc1,SRKZOFRBEWOWMU-UHFFFAOYSA-N,3,1,0.451,51,943,454.454,1.68,5,0.402,0.69,1.0,0.45945274484271126,0.21143170447536153,0.07281886094167637,0.026300459187170173,0.19250094236172982
EOS-3-09380,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)cc1,YICDDGDICZTJCK-UHFFFAOYSA-N,3,1,0.302,3,673,453.416,3.774,6,0.401,0.74,0.999,0.009106641080117881,0.13624837228428482,0.6136145569186485,0.732437804125831,0.37285184360222057
EOS-3-09381,Cc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)s2)cn1,RHLSIUKTAVIFNT-UHFFFAOYSA-N,3,1,0.506,7,85,445.468,2.086,5,0.415,0.72,1.0,0.402234253992187,0.2622078678637516,0.030404016174354054,0.012850387225001713,0.17692413131382362
EOS-3-09382,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccc(C#N)n5)cc4)n23)nc1,IBEQPDKYJQTSQN-UHFFFAOYSA-N,3,1,0.299,38,42,457.461,2.977,6,0.391,0.71,1.0,0.2006630799808101,0.14016345692550203,0.27660030155575355,0.2660115824823521,0.22085960523610446
EOS-3-09384,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ncc(-c6cccnc6)cn5)n34)c2)nn1,YABNFYZUYFTXIO-UHFFFAOYSA-N,3,1,0.277,42,106,432.451,3.106,6,0.418,0.74,1.0,0.015197724624768693,0.006562264409567541,0.22230313206771296,0.25682783907888423,0.12522274004523337
EOS-3-09385,COc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)nc5)o4)n23)cn1,PGMAARLIMPSSNO-UHFFFAOYSA-N,3,1,0.424,4,875,436.819,2.872,5,0.366,0.78,1.0,0.48391131519429786,0.6253683777671167,0.19444349256390925,0.16785175793297238,0.367893735864574
EOS-3-09386,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nn[nH]n5)cc4)n23)cc1C(F)F,WXRLOLOXYDCGTM-UHFFFAOYSA-N,3,1,0.568,43,499,438.373,3.627,5,0.431,0.79,1.0,0.8937444314988692,0.8124443149886916,0.9093448015900213,0.8739548351723665,0.8723720958124872
EOS-3-09388,Cc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nn1,JCFXFBFYBWNDDZ-UHFFFAOYSA-N,3,1,0.576,72,393,427.443,3.712,5,0.408,0.76,1.0,0.6943064217668425,0.6739599753272565,0.5855493112192447,0.5340792269207045,0.6219737338085121
EOS-3-09389,Fc1cc(-c2nnc3cncc(-c4ncnc(-c5ccnnc5)n4)n23)ccc1-c1cc[nH]n1,ZZEVMCKPTKQPAI-UHFFFAOYSA-N,3,1,0.297,8,136,437.402,2.63,6,0.441,0.68,1.0,0.3060191213761908,0.33254232060859434,0.2912240422178055,0.33951579740936194,0.31732532040298816
EOS-3-09390,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)nc1,QOJMIHICYFRQMM-UHFFFAOYSA-N,3,1,0.298,86,977,437.402,2.63,6,0.441,0.68,1.0,0.3008018641628401,0.2983088890411898,0.21200568843807827,0.23324309505859778,0.2610898841751765
EOS-3-09391,O=C(O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ncc(F)cn4)n23)cc1,SOPNOABMNODKNH-UHFFFAOYSA-N,3,1,0.516,73,82,444.386,2.455,5,0.415,0.72,1.0,0.5422263724213556,0.12934343088205058,0.17133849633335618,0.12225001713384963,0.241289579192653
EOS-3-09392,Cn1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c2)n1,ARXNKNAGVWRTKK-UHFFFAOYSA-N,3,1,0.293,42,608,432.451,3.106,6,0.418,0.72,1.0,0.08490679185799466,0.08417003632376122,0.23666129806044822,0.2214978411349462,0.15680899184428757
EOS-3-09393,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cn1,FAYRXWYEENZVFK-UHFFFAOYSA-N,3,1,0.301,94,165,432.451,3.106,6,0.418,0.72,0.998,0.13167363443218422,0.0547683503529573,0.27247961071893634,0.2568364060037009,0.17893950037694467
EOS-3-09394,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)n1,NTXFFZOFECEPAF-UHFFFAOYSA-N,3,1,0.321,38,725,432.451,3.106,6,0.418,0.72,1.0,0.09951339867041327,0.08417860324857789,0.23666986498526488,0.27460420807346997,0.1737415187444315
EOS-3-09395,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)cn1,TUCWVOYQGVOYON-UHFFFAOYSA-N,3,1,0.293,64,365,432.451,3.106,6,0.418,0.72,1.0,0.09228291412514564,0.01893290384483586,0.1007299019943801,0.14942430265231993,0.09034250565417037
EOS-3-09396,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c1F,PKAGXAMMMAONNS-UHFFFAOYSA-N,3,1,0.489,18,840,427.443,3.712,5,0.408,0.81,1.0,0.697262010828593,0.6788259886231238,0.5627869919813584,0.5002056061956001,0.6097701494071688
EOS-3-09397,Cn1nnnc1-c1ccccc1COc1cncc2nnc(-c3ccc(Cl)c(Cl)c3)n12,AXFOCRZVHQTVQC-UHFFFAOYSA-N,3,1,0.58,43,402,453.293,3.868,5,0.399,0.78,1.0,0.7575645946131176,0.8697227743129327,0.5294273867452539,0.6680659310533891,0.7061951716811733
EOS-3-09398,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnc5)nn4)n23)cc1,NEINPKVKKSMULA-UHFFFAOYSA-N,3,1,0.306,8,890,434.427,1.896,6,0.404,0.68,1.0,0.0742752381605099,0.05093036803509012,0.07719655952299363,0.09369645671989582,0.07402465560962238
EOS-3-09399,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(Cc5ncccc5F)n4)n23)cc1,HDNLOFZRYMDYNN-UHFFFAOYSA-N,3,1,0.303,8,890,454.433,1.823,6,0.383,0.71,1.0,0.17800356384072374,0.26732232197930234,0.035449934891371396,0.06618806113357549,0.13674097046124323
EOS-3-09400,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,VIAVGXYAANWNDA-UHFFFAOYSA-N,3,1,0.352,98,289,420.44,2.835,6,0.432,0.76,1.0,0.029547323692687272,0.01583167706120211,0.12550544856418341,0.14943286957713658,0.08007932972380234
EOS-3-09401,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c(F)c2)cn1,XMMHUNZUFHWYPG-UHFFFAOYSA-N,3,1,0.512,59,623,436.397,4.188,5,0.413,0.79,1.0,0.7837708176273045,0.7924919470906723,0.9503375368377767,0.9367332602289082,0.8658333904461655
EOS-3-09402,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nn5)cn4)n23)nc1,HXZKJYFFEWJCOG-UHFFFAOYSA-N,3,1,0.381,33,946,444.39,1.25,5,0.404,0.68,0.993,0.4839198821191145,0.2317181824412309,0.10594715920773079,0.07159379069289287,0.22329475361524226
EOS-3-09403,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)n(C)n5)nn4)n23)cc1,UZZUKDZLHPHJQT-UHFFFAOYSA-N,3,1,0.473,89,926,455.482,2.229,5,0.413,0.72,1.0,0.35031012267836337,0.16307141388527174,0.10338564868754711,0.03524432869577136,0.1630028784867384
EOS-3-09404,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cn5)n34)nc2)n1,VQXCBQVAXFIBNJ-UHFFFAOYSA-N,3,1,0.346,70,301,450.441,3.245,6,0.402,0.72,1.0,0.10710369405798095,0.23172674936604756,0.29852306216160646,0.3814080597628675,0.2546903913371256
EOS-3-09405,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cn4)n23)cc1,HQJCTKIVUBUMKD-UHFFFAOYSA-N,3,1,0.302,25,213,450.441,3.245,6,0.402,0.72,1.0,0.21711157562881228,0.29831745596600645,0.2580529093276677,0.33639743677609485,0.27746984442464534
EOS-3-09406,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncc(F)cn4)cc3)n12,LGLFBEPUGWJWAM-UHFFFAOYSA-N,3,1,0.33,8,635,450.441,3.245,6,0.402,0.72,1.0,0.18654478788294154,0.24705297786306626,0.17796929614145707,0.24205846069494893,0.21340638064560347
EOS-3-09407,Cn1cc(-c2cncc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)c2)cn1,URULLIUYEYSLGI-UHFFFAOYSA-N,3,1,0.3,10,967,450.441,3.245,6,0.402,0.72,0.995,0.05931738743060791,0.14370159687478581,0.4022256870673703,0.47283428140634637,0.2695197381947776
EOS-3-09408,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5cccc(Cl)c5)cnn4C)n23)c(C)c1,VBPVYEXDJYAUCQ-UHFFFAOYSA-N,3,1,0.356,62,124,457.925,4.18,5,0.437,0.76,1.0,0.1316822013570009,0.2622164347885683,0.4980724419162497,0.4756956342951134,0.3419166780892331
EOS-3-09409,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,VLKFOIRRVPUZBU-UHFFFAOYSA-N,3,1,0.324,25,791,437.492,3.772,6,0.414,0.74,1.0,0.06634226578027551,0.08738263313001166,0.2438489479816325,0.2985915975601398,0.17404136111301488
EOS-3-09410,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)cc1,BPHPPRKPAMYTSO-UHFFFAOYSA-N,3,1,0.333,38,193,437.492,3.772,6,0.414,0.74,1.0,0.05578781440614077,0.07371838804742649,0.20495510931396066,0.2069169350969776,0.13534456171612638
EOS-3-09411,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5F)cc4)n23)cc1,WWMFYMAOXSCVRA-UHFFFAOYSA-N,3,1,0.37,62,302,450.477,4.552,6,0.425,0.8,1.0,0.30856349804674116,0.24195565759714893,0.6136231238434652,0.6857737646494414,0.4624790110341992
EOS-3-09413,N#Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ccn4)n23)c1,VHWLBLGUFZKIHF-UHFFFAOYSA-N,3,1,0.418,72,348,440.854,3.747,5,0.406,0.72,1.0,0.6283582345281338,0.5925998903433624,0.7061973134123775,0.7216520457816462,0.66220187101638
EOS-3-09414,Fc1ccc(-c2ncco2)cc1-c1nnc2cncc(-c3ccc(-c4ncccn4)cn3)n12,ZYSFEXVBFFRDAO-UHFFFAOYSA-N,3,1,0.329,32,20,436.41,4.104,6,0.406,0.8,1.0,0.35031868960318,0.4002038928106367,0.512404907134535,0.5140326228497019,0.44424002809951335
EOS-3-09415,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)o5)n34)cn2)cc1,OJPRCWLHDYLMFG-UHFFFAOYSA-N,3,1,0.351,32,572,436.41,4.104,6,0.406,0.8,0.999,0.23354293742718113,0.4142879172092386,0.47739188540881367,0.5535861147282571,0.4197022136933727
EOS-3-09416,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cc1,ITAJPCPJBCXFCB-UHFFFAOYSA-N,3,1,0.338,25,508,436.504,4.377,6,0.408,0.81,1.0,0.10455931738743061,0.11561065040093207,0.3950551709958193,0.46661469398944555,0.2704599581934069
EOS-3-09417,Cn1nc(-c2cncnc2)c(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)n1,IUGIGLIFBCGLMU-UHFFFAOYSA-N,3,1,0.301,39,972,451.429,2.64,6,0.398,0.72,0.681,0.10456788431224727,0.16704646700020562,0.11993694743334933,0.19794736481392639,0.14737466588993214
EOS-3-09418,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)nn5cccc45)n23)cc1,JEMTWNVJAFAPDF-UHFFFAOYSA-N,3,1,0.367,62,3,464.464,3.667,6,0.427,0.75,1.0,0.08279932835309438,0.27246247686930297,0.42012199300938935,0.4160441367966555,0.29785698375711056
EOS-3-09419,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)ccc4F)n23)nn1,RHMNNKOHHHNGIZ-UHFFFAOYSA-N,3,1,0.409,53,785,430.447,3.317,5,0.422,0.74,1.0,0.45714824206702764,0.3810482489205675,0.3877989856761017,0.30169282434377354,0.3819220752518676
EOS-3-09420,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4cnn(C)c4)n23)nc1,ZMSDFNWXRPABRT-UHFFFAOYSA-N,3,1,0.392,33,53,442.443,1.315,5,0.412,0.67,0.95,0.2391971078061819,0.10316290864231376,0.04907991227468988,0.016756904941402233,0.10204920841614695
EOS-3-09421,Cc1nc(-c2cccc(F)c2F)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,YRNKROFFWJTUJE-UHFFFAOYSA-N,3,1,0.511,44,531,445.433,3.851,5,0.392,0.76,1.0,0.7311441984785142,0.6114985264889315,0.6435388253032691,0.627552943595367,0.6534336234665205
EOS-3-09422,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)c1,GJRQXWRGKMGXNB-UHFFFAOYSA-N,3,1,0.333,64,365,447.437,3.906,6,0.4,0.74,0.991,0.1865533548077582,0.24706154478788295,0.3056593105338908,0.4634363648824618,0.30067764375299844
EOS-3-09423,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)nc2)nc1,RYYAOWMMYFXTMT-UHFFFAOYSA-N,3,1,0.32,86,557,430.435,3.162,6,0.415,0.73,1.0,0.18965458159139195,0.13266739771091768,0.18095915290247414,0.18446302515249127,0.17193603933931875
EOS-3-09424,CC1COCCN1C(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)cc1,MZIOKGSYWRWVHT-UHFFFAOYSA-N,3,1,0.452,0,751,464.476,3.576,5,0.449,0.67,0.997,0.09468165307381263,0.05874340346789116,0.33873620725104514,0.3364060037009115,0.2071418168734151
EOS-3-09425,COc1cc(-c2nnc3cncc(-c4nccnc4-c4ccc(CO)cc4)n23)ccc1Cl,KTWVSVNXVRTPHI-UHFFFAOYSA-N,3,1,0.361,96,837,444.882,4.07,5,0.436,0.75,1.0,0.5188815022959359,0.601792200671647,0.7611798368857515,0.735144952367898,0.6542496230553081
EOS-3-09426,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cn(C)nn5)nc4)n23)cc1,VXYRVBYCXHBIMO-UHFFFAOYSA-N,3,1,0.341,74,333,412.417,1.403,5,0.469,0.87,1.0,0.0872112946336783,0.04005894044273867,0.06436330614762525,0.03203173188952094,0.05591631827839079
EOS-3-09427,Cn1cc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,SFKWKMQYWDGPIX-UHFFFAOYSA-N,3,1,0.633,35,393,431.887,3.862,5,0.406,0.78,1.0,0.4963162223288328,0.5776934411623603,0.6715612363785896,0.6508892467959702,0.5991150366664382
EOS-3-09428,Cc1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cc2)n1,BPFJXAYGBXVSPI-UHFFFAOYSA-N,3,1,0.306,9,867,443.474,4.076,6,0.401,0.76,1.0,0.16977931601672264,0.12595949557946678,0.36128435336851483,0.3458553217736961,0.2507196216846001
EOS-3-09429,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ccsc5)cn4)n23)nc1,FECJYQOAYPXEQH-UHFFFAOYSA-N,3,1,0.337,33,647,467.558,3.987,6,0.389,0.84,1.0,0.05932595435542458,0.06261565348502501,0.0840929340004112,0.1308512096497841,0.08422143787266123
EOS-3-09430,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nn[nH]n5)c(F)c4)n23)nc1,DZSACIBGUQOGQP-UHFFFAOYSA-N,3,1,0.452,46,6,433.363,1.783,5,0.404,0.76,1.0,0.5244157357275032,0.23173531629086422,0.28775443766705505,0.20988109108354466,0.3134466451922418
EOS-3-09431,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)cc3F)n12,DFZIJKNRJOQGDH-UHFFFAOYSA-N,3,1,0.56,35,161,431.406,3.543,5,0.406,0.75,1.0,0.912908642313755,0.9077599204989377,0.7660972517305188,0.7455537660201494,0.8330798951408402
EOS-3-09432,Fc1cc(F)cc(-c2cnnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)c1,FNBYHGYRMHUPCI-UHFFFAOYSA-N,3,1,0.505,19,207,431.406,3.543,5,0.406,0.75,1.0,0.5828335960523611,0.5397847988486053,0.6466229182372696,0.6885151805907751,0.6144391234322527
EOS-3-09433,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)ccc2F)cn1,YSPSELBKYLPFOP-UHFFFAOYSA-N,3,1,0.57,16,214,438.426,3.542,5,0.409,0.74,0.999,0.8709478445617161,0.8201888150229594,0.7322664656294976,0.6480278939072031,0.767857754780344
EOS-3-09434,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cncnc4)n23)nc1,AFHPJGRFUKDQGU-UHFFFAOYSA-N,3,1,0.296,94,165,433.439,2.501,6,0.412,0.69,1.0,0.10209204304023028,0.05875197039270783,0.1229782057432664,0.137533411006785,0.10533890754574739
EOS-3-09435,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)c1,JGKNSXQHDZGKNF-UHFFFAOYSA-N,3,1,0.286,25,373,433.439,2.501,6,0.412,0.69,1.0,0.10210060996504694,0.06262422040984168,0.11994551435816599,0.15459015831677062,0.1098151257624563
EOS-3-09436,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CCCC5)nc4)n23)nc1)N1CCOCC1,YKVPZWRGFJZMEU-UHFFFAOYSA-N,3,1,0.396,63,829,484.52,1.957,6,0.431,0.88,0.997,0.017819203618669042,0.00152491261736687,2.5700774450003426e-05,5.9968473716674664e-05,0.004857446371050647
EOS-3-09437,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)c(F)c3)n12,BPLOBRZBZIPRCK-UHFFFAOYSA-N,3,1,0.747,88,876,430.418,4.148,5,0.403,0.79,1.0,0.9667603317113289,0.9590072647522445,0.8071670893016243,0.8010160372832568,0.8834876807621136
EOS-3-09439,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)c(Cl)c1,WBMIRHVTMLSSOI-UHFFFAOYSA-N,3,1,0.381,0,901,482.878,3.562,5,0.48,0.8,1.0,0.3686347748612158,0.42770372147214036,0.47394798163251317,0.5340877938455212,0.4510935679528476
EOS-3-09440,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4Oc4ccc(Cl)cc4)n23)cc1,NQLVSLYADBSRDF-UHFFFAOYSA-N,3,1,0.419,62,3,456.893,4.659,5,0.413,0.83,1.0,0.5089096018093345,0.5035381399492838,0.6685885134672058,0.6035741210335138,0.5711525940648345
EOS-3-09441,COc1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5F)cc4)n23)c(OC)n1,JDWARYCZEUJMGJ-UHFFFAOYSA-N,3,1,0.35,63,437,435.419,2.106,5,0.49,0.63,1.0,0.3289784798848605,0.15142039613460354,0.327676307312727,0.15202008087177027,0.24002381605099032
EOS-3-09442,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4F)n23)nc1,LHTKZUOBZLKCGD-UHFFFAOYSA-N,3,1,0.321,98,765,453.445,2.583,6,0.4,0.68,1.0,0.20893016242889453,0.31865533548077585,0.1908453841409088,0.20988965800836132,0.23208013501473512
EOS-3-09443,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cn2)n[nH]1,MAXSYZYUYRTKPI-UHFFFAOYSA-N,3,1,0.292,52,802,454.469,3.583,6,0.42,0.82,0.999,0.19784456171612638,0.25209032965526695,0.2766088684805702,0.32990370776506067,0.26411186690425603
EOS-3-09444,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)cc1=O,CUIFHIZMUQBREA-UHFFFAOYSA-N,3,1,0.63,24,294,447.405,2.804,5,0.408,0.72,1.0,0.7694811870331026,0.48076725378658075,0.7087074223836611,0.6680744979782057,0.6567575902953876
EOS-3-09445,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccn5)cc4F)n23)cc1,GBONIJJXNGAWRI-UHFFFAOYSA-N,3,1,0.346,62,3,467.439,4.052,5,0.391,0.82,1.0,0.31122781166472485,0.36179836885751493,0.8619697073538483,0.8341871701733946,0.5922957645123706
EOS-3-09446,Cn1cnnc1-c1cc(F)cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,CYAIZHUYIIWYNR-UHFFFAOYSA-N,3,1,0.676,43,520,435.85,3.958,5,0.415,0.76,1.0,0.9446662326091426,0.930059625796724,0.742495373860599,0.7851586594476047,0.8505949729285175
EOS-3-09447,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ncn(-c4ccccc4)n3)n12,DUHXBDNXZGHJJI-UHFFFAOYSA-N,3,1,0.318,30,298,434.438,4.24,6,0.413,0.76,1.0,0.03330820368720444,0.2162548831471455,0.5159944486327188,0.5977057775340964,0.3408158282502913
EOS-3-09448,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cc1=O,SZSMFSHVURLCOY-UHFFFAOYSA-N,3,1,0.539,4,506,445.87,3.179,5,0.409,0.73,1.0,0.3959204304023028,0.4188455212117059,0.5050630525666506,0.5140411897745185,0.45846754848879445
EOS-3-09449,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)nn5)n34)cc2)n1C,KRDHYYDBZBQCQI-UHFFFAOYSA-N,3,1,0.322,8,474,447.466,2.809,6,0.401,0.68,1.0,0.11513946953601535,0.06263278733465835,0.08639743677609485,0.09762867521074635,0.09044959221437873
EOS-3-09450,Clc1cnnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1,SVMXYKMXWLLGEF-UHFFFAOYSA-N,3,1,0.456,19,198,429.871,3.918,5,0.404,0.77,1.0,0.5576211363169077,0.7034473305462271,0.4059351655129875,0.520449249537386,0.546863220478377
EOS-3-09451,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnccn6)n5)n34)nn2)cc1,SQQXPVORQWIOFY-UHFFFAOYSA-N,3,1,0.319,76,541,429.447,3.767,6,0.417,0.76,0.813,0.09003837982317867,0.07717085874854362,0.2617366869988349,0.32339284490439313,0.1880846926187376
EOS-3-09452,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1,KEKVZBIRPYWEGO-UHFFFAOYSA-N,3,1,0.315,32,515,429.447,3.767,6,0.417,0.76,1.0,0.17505654170379,0.10639263929819752,0.2802926461517374,0.3234014118292098,0.22128580974573367
EOS-3-09453,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)cnn1,RDPNYMBATPKCLE-UHFFFAOYSA-N,3,1,0.326,98,112,451.429,2.64,6,0.398,0.69,0.999,0.1257453224590501,0.23655849496264822,0.19445205948872593,0.30170139126859025,0.21461431704475364
EOS-3-09454,Cn1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)cn2)cn1,MKYJAMOQPLFSNW-UHFFFAOYSA-N,3,1,0.398,92,986,429.444,2.396,5,0.447,0.74,1.0,0.3938043999725858,0.21626345007196218,0.3612929202933315,0.1308597765746008,0.27555513672812004
EOS-3-09455,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(F)c(Cl)c1,DUJGSSCMLWIUOV-UHFFFAOYSA-N,3,1,0.54,95,998,449.877,4.001,5,0.389,0.82,1.0,0.5295473236926873,0.49904907134534987,0.6548728668357207,0.6943321225412926,0.5944503461037627
EOS-3-09456,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4ccn(C)n4)cc3F)n12,FYXUILRIVSDVBY-UHFFFAOYSA-N,3,1,0.324,52,341,467.508,4.199,6,0.419,0.8,1.0,0.14485813172503598,0.21627201699677884,0.420130559934206,0.43794976355287507,0.304802618052224
EOS-3-09457,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)cc1,PLVXDJSVXKDNGG-UHFFFAOYSA-N,3,1,0.512,97,401,433.834,4.015,5,0.413,0.75,1.0,0.7124940031526283,0.792500514015489,0.7192704406826126,0.7610341991638682,0.7463247892536495
EOS-3-09458,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccccn5)n4)n23)cc1,ARZIGYMQHCRXDB-UHFFFAOYSA-N,3,1,0.32,38,42,432.451,3.106,6,0.418,0.68,1.0,0.10210917688986361,0.04357994654238914,0.17134706325817284,0.18704166952230827,0.12601946405318348
EOS-3-09460,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ncc(F)cn5)cn4)n23)cc1,NHALXGBJKHHPIC-UHFFFAOYSA-N,3,1,0.518,73,82,431.406,3.809,5,0.418,0.76,1.0,0.8642570762798986,0.8005020217942568,0.6633969570283051,0.6275615105201837,0.7389293914056609
EOS-3-09461,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncn4)n23)cc1,PUNCTOMOBYNEHP-UHFFFAOYSA-N,3,1,0.443,89,463,473.884,2.63,5,0.395,0.75,1.0,0.5888390103488452,0.5035467068741005,0.25806147625248443,0.18705023644712493,0.38437435748063875
EOS-3-09462,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1,YHFYUIIQNZUGPC-UHFFFAOYSA-N,3,1,0.311,38,42,432.451,3.106,6,0.418,0.69,1.0,0.11787231855253238,0.02107463504900281,0.3168819820437256,0.29546467000205606,0.1878234014118292
EOS-3-09463,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)n1,JDQXXUPZJAGLSI-UHFFFAOYSA-N,3,1,0.628,36,258,419.836,2.609,5,0.427,0.78,1.0,0.7369354396545816,0.7838907545747379,0.20496367623877731,0.2746127749982866,0.5001006613665959
EOS-3-09464,OCCn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(F)(F)F)nn5)n34)cc2)n1,APDZYKZYKAXKHE-UHFFFAOYSA-N,3,1,0.315,61,121,452.4,3.123,5,0.437,0.7,0.991,0.14223665273113564,0.262225001713385,0.8051709958193407,0.6798197519018573,0.4723631005414297
EOS-3-09465,Cc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccnnc6)nc5)n34)cn2)n1,QKNXJIKLAGPVRZ-UHFFFAOYSA-N,3,1,0.286,86,780,433.439,2.594,6,0.412,0.7,1.0,0.001619148790350216,0.00922657802755123,0.1433075183332191,0.1331471455006511,0.07182509766294291
EOS-3-09466,N#Cc1ccc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)[nH]n2)nc1,LUIODSKSIGCEKV-UHFFFAOYSA-N,3,1,0.462,13,391,432.806,4.033,5,0.455,0.79,0.999,0.8271794256733603,0.9077684874237544,0.8717874031937496,0.8837468302378179,0.8726205366321705
EOS-3-09467,Cc1nc(-c2ccccn2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,ONRUBDOGDBEMAF-UHFFFAOYSA-N,3,1,0.435,46,330,430.859,3.579,5,0.416,0.75,1.0,0.6032057432663971,0.48077582071139746,0.30566787745870744,0.3395243643341786,0.4322934514426701
EOS-3-09468,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncn5C)nn4)n23)cc1,LLTWESUDIRBZKU-UHFFFAOYSA-N,3,1,0.457,89,707,442.443,1.315,5,0.412,0.68,1.0,0.3780241244602837,0.17097868549105613,0.05835789185114111,0.023627578644369818,0.1577470701117127
EOS-3-09469,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,FHSQTOVOKOWVMU-UHFFFAOYSA-N,3,1,0.427,89,408,467.493,2.453,6,0.387,0.77,1.0,0.23087862380919746,0.10317147556713042,0.08888184497292852,0.07930402302789391,0.1255589918442876
EOS-3-09470,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)cn1,YVAFDUCBIJCCPF-UHFFFAOYSA-N,3,1,0.297,9,98,420.44,3.039,6,0.466,0.76,1.0,0.0946902199986293,0.08739120005482832,0.42411417997395656,0.40626927558083753,0.25311621890206293
EOS-3-09471,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cc1,KVRFEKLGTGAKHU-UHFFFAOYSA-N,3,1,0.321,9,339,449.453,3.85,6,0.377,0.8,1.0,0.21987012541977932,0.25688780755260093,0.5326828181755877,0.5269258446987869,0.3840916489616887
EOS-3-09472,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccncc4OC)n23)cn1,KDWMGOJUGZXZEM-UHFFFAOYSA-N,3,1,0.308,82,204,438.451,2.679,5,0.445,0.66,0.839,0.4131913508327051,0.15541258309917072,0.1979130971146597,0.10826879583304777,0.2186964567198958
EOS-3-09473,Cc1ncc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)c(-c2ccc(F)nc2)n1,CDZIMCCAXCIYJX-UHFFFAOYSA-N,3,1,0.295,82,514,467.468,3.045,6,0.391,0.77,0.955,0.25509732026591736,0.21144027140017818,0.09121204852306217,0.13315571242546775,0.17272633815365637
EOS-3-09474,COc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnn(C)c5)n4)n23)cc1,YTYBIUZVGLWWLO-UHFFFAOYSA-N,3,1,0.558,4,996,431.431,3.314,5,0.407,0.73,1.0,0.5038893838667672,0.5352357617709547,0.5696405318346927,0.42552772256870675,0.5085733500102803
EOS-3-09475,Cn1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ncc(F)cn5)c4)n23)n1,LNQYPQPAEPXBKX-UHFFFAOYSA-N,3,1,0.488,73,82,437.826,2.748,5,0.413,0.68,1.0,0.5858405866630114,0.6985984510999932,0.2580700431773011,0.32340997875402644,0.466479764923583
EOS-3-09476,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1,VXNMIGUIHLZNTE-UHFFFAOYSA-N,3,1,0.357,62,302,467.92,4.461,6,0.409,0.83,1.0,0.23920567473099857,0.23656706188746487,0.40923343156740455,0.5204578164622027,0.3513659961620177
EOS-3-09477,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)c(F)c1,VAEGXEOGGLXREX-UHFFFAOYSA-N,3,1,0.333,25,791,452.457,3.188,6,0.405,0.71,1.0,0.18656192173257488,0.2934257418956891,0.3613014872181482,0.3969398944554863,0.3095572613254746
EOS-3-09478,OCc1cccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)c1,MOBKUCBNVHPIOG-UHFFFAOYSA-N,3,1,0.494,75,846,425.452,2.757,5,0.424,0.78,1.0,0.4863957233911315,0.3375368377767117,0.42756665067507366,0.37184737166746623,0.40583664587759577
EOS-3-09479,O=C(O)c1ccc(-c2nnc3cncc(-c4ccnnc4-c4ncc(Cl)cn4)n23)cc1,AQLOBOUHSCJPTO-UHFFFAOYSA-N,3,1,0.402,50,856,430.815,3.057,5,0.456,0.67,1.0,0.28202316496470425,0.12236138715646631,0.272488177643753,0.2746213419231033,0.2378735179220067
EOS-3-09480,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nc(-c5ncccn5)cs4)n23)cc1,JZUFPZQXAMBCGQ-UHFFFAOYSA-N,3,1,0.474,89,398,470.518,3.176,6,0.385,0.8,1.0,0.31394352683160853,0.17981118497704063,0.031569117949420876,0.03858542937427181,0.14097731478308545
EOS-3-09481,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(C)cnn5)cn4)n23)cc1,DDOGQRLZMNPZBQ-UHFFFAOYSA-N,3,1,0.34,74,139,422.452,2.978,5,0.474,0.68,1.0,0.09706325817284628,0.0587605373175245,0.31297546432732504,0.20692550202179424,0.1689311904598725
EOS-3-09482,Cn1ncnc1-c1nc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)ccc1F,LNZHBMUOMJYNFO-UHFFFAOYSA-N,3,1,0.38,33,760,446.406,1.194,5,0.405,0.71,0.897,0.35725789870468094,0.2520988965800836,0.0547940511274073,0.03626379274895483,0.17510365979028167
EOS-3-09483,Cc1cn(C)nc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,ARYVPSJPPDVRFM-UHFFFAOYSA-N,3,1,0.645,16,32,431.887,4.128,5,0.416,0.79,0.999,0.6032143101912137,0.7541720923857173,0.5015763141662669,0.4938575149064492,0.5882050579124117
EOS-3-09484,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)nc1,XDOCDDYDXNYJHY-UHFFFAOYSA-N,3,1,0.552,11,159,446.873,4.662,5,0.377,0.89,1.0,0.8597080392022479,0.9056610239188541,0.7705092180111027,0.8181670207662257,0.8385113254746075
EOS-3-09485,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)n5)n34)cn2)o1,ZGTWCTNWVRXXQE-UHFFFAOYSA-N,3,1,0.299,76,259,436.439,3.007,6,0.41,0.7,0.99,0.07428380508532657,0.05477691727777397,0.08889041189774519,0.08094030566787745,0.0747228599821808
EOS-3-09486,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cc(C)nn5C)cc4Cl)n23)cn1,HJIYDQYGRKJJFX-UHFFFAOYSA-N,3,1,0.345,82,336,459.901,2.97,5,0.439,0.71,1.0,0.19497464190254266,0.25210746350490026,0.17479953395928996,0.1420310465355356,0.19097817147556712
EOS-3-09487,Cc1ncc(-c2cccc(-c3nnc4cncc(Oc5cc(Cl)cc(C#N)c5)n34)c2)nn1,VWGRAOKARWVZMB-UHFFFAOYSA-N,3,1,0.473,13,374,440.854,4.269,5,0.407,0.76,1.0,0.7219604550750462,0.7961585909122062,0.7138818449729285,0.7351535192927147,0.7417886025632239
EOS-3-09488,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)ccc4F)n23)cc1F,BBGYIOGZASWCFA-UHFFFAOYSA-N,3,1,0.35,96,648,460.419,4.297,5,0.405,0.81,1.0,0.34576965252552944,0.44986635597285995,0.9217925433486396,0.9048300322116373,0.6555646460146666
EOS-3-09489,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)cc1,XVJJCKMQOREDIT-UHFFFAOYSA-N,3,1,0.4,93,228,448.465,4.455,6,0.396,0.82,1.0,0.25267288054280035,0.37145329312589953,0.6466314851620862,0.7296021520115139,0.500089952710575
EOS-3-09490,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(C(N)=O)c(OC(F)F)c4)n23)nc1,ZXTDYYNQEKWHAI-UHFFFAOYSA-N,3,1,0.371,50,918,465.384,1.139,5,0.384,0.72,1.0,0.4224350627098897,0.4002124597354534,0.15255123021040368,0.12873517922006716,0.2759834829689535
EOS-3-09491,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cn1,YQLSMNIMRCCCNZ-UHFFFAOYSA-N,3,1,0.361,82,155,427.399,3.236,5,0.402,0.76,0.999,0.3663816736344322,0.40022102666027004,0.38780755260091837,0.31742169830717565,0.36795798780069905
EOS-3-09492,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)cc2)c1,AUPIKZOVHGNYDV-UHFFFAOYSA-N,3,1,0.37,93,74,451.881,4.354,6,0.424,0.77,1.0,0.22544719347543005,0.39036906312110203,0.5394849564800219,0.6798283188266739,0.458782382975807
EOS-3-09493,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)cc1,GITYSPNMKKNARJ-UHFFFAOYSA-N,3,1,0.289,98,727,432.451,3.106,6,0.418,0.7,1.0,0.13414090877938456,0.05093893495990679,0.23667843191008156,0.24483414433554931,0.16664810499623056
EOS-3-09494,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)cc1,RKPLJDAYSRDIEF-UHFFFAOYSA-N,3,1,0.338,38,865,432.451,3.106,6,0.418,0.7,1.0,0.07631416626687684,0.04006750736755534,0.2509594955794668,0.24783256802138304,0.1537934343088205
EOS-3-09495,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cc2)n1,MYBJEJJXLZCJLG-UHFFFAOYSA-N,3,1,0.311,38,608,432.451,3.106,6,0.418,0.7,1.0,0.08721986155849497,0.08067473099856076,0.15255979713522033,0.14448975395791927,0.11623603591254883
EOS-3-09496,Fc1ccc(-c2nnc3cncc(OCc4cnc(-n5cnnn5)cc4Cl)n23)cc1,PMPXQDWAJVAWEQ-UHFFFAOYSA-N,3,1,0.6,36,32,423.799,2.534,5,0.424,0.76,1.0,0.5799037077650606,0.6837348365430745,0.5225224453430196,0.6159447604687821,0.6005264375299842
EOS-3-09497,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccnc4Oc4ccccc4)n23)cc1,CJTWYEHBINZWCP-UHFFFAOYSA-N,3,1,0.387,62,302,448.486,4.538,6,0.41,0.86,1.0,0.30081043108765676,0.13267596463573436,0.3056764443835241,0.3364145706257282,0.26889435268316086
EOS-3-09498,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)c(Cl)c4)n23)cc1,RNVGZPWMKPZSLO-UHFFFAOYSA-N,3,1,0.338,61,917,438.829,4.24,5,0.417,0.76,1.0,0.2875145637721883,0.427712288396957,0.8415033239668289,0.8661417997395655,0.6057179939688849
EOS-3-09499,Clc1cccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)nn2)c1,QPDOXBUUXABGFV-UHFFFAOYSA-N,3,1,0.286,39,37,452.869,3.544,6,0.399,0.73,0.98,0.010494482900418066,0.08068329792337743,0.25096806250428344,0.40967034473305464,0.1879540470152834
EOS-3-09500,Cc1cccc(CCOc2cncc3nnc(-c4cccc(-c5nnc(CO)o5)c4)n23)n1,IUHSSDVTQAQRFI-UHFFFAOYSA-N,3,1,0.488,15,628,429.44,2.659,5,0.416,0.75,1.0,0.5473836611609897,0.4094304708381879,0.12822973065588375,0.09370502364471249,0.2946872215749435
EOS-3-09501,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6F)nc5)n34)cn2)cn1,WLDXBIOOWZLXNW-UHFFFAOYSA-N,3,1,0.287,10,151,455.432,3.718,6,0.402,0.74,1.0,0.0120022616681516,0.1709872524158728,0.737235282023165,0.7296107189363306,0.41245887876088
EOS-3-09502,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)c5)s4)n23)cc1F,BKLMIXRJYPZDJU-UHFFFAOYSA-N,3,1,0.347,96,140,450.886,4.473,5,0.407,0.8,1.0,0.2142587896648619,0.33754540470152833,0.7397967925433486,0.7686758961003358,0.5150692207525187
EOS-3-09503,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cc1,ATALZHQORGHURR-UHFFFAOYSA-N,3,1,0.324,38,787,431.463,3.711,6,0.419,0.74,1.0,0.08491535878281133,0.06648790350215887,0.33874477417586185,0.3426255911178123,0.2081934068946611
EOS-3-09504,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,XLCFORVTLNAOOC-UHFFFAOYSA-N,3,1,0.349,30,474,431.463,3.711,6,0.419,0.76,0.999,0.06111644164210815,0.05478548420259064,0.1809677198272908,0.2568449729285176,0.1384286546501268
EOS-3-09505,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,XZOVSNHANVGPPY-UHFFFAOYSA-N,3,1,0.457,18,211,432.875,3.257,5,0.406,0.71,0.999,0.5038979507915838,0.404838599136454,0.364993831814132,0.3718559385922829,0.41139658008361313
EOS-3-09506,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)cn2)cn1,IOCUTPCGJDVDCJ-UHFFFAOYSA-N,3,1,0.301,38,725,433.479,3.654,6,0.421,0.73,1.0,0.05933452128024125,0.04358851346720581,0.4845624014803646,0.4062778425056542,0.24844081968336645
EOS-3-09507,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)nc1,FGUDDISFWXSXQP-UHFFFAOYSA-N,3,1,0.23,86,249,438.39,1.82,6,0.4,0.68,1.0,0.002501542046467,0.05876910424234117,0.08410150092522788,0.12007401823041601,0.06636154136111301
EOS-3-09508,COc1ncc(-c2nccn2C)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,WEJDJTXIJNXZGE-UHFFFAOYSA-N,3,1,0.6,16,353,447.886,3.828,5,0.39,0.81,1.0,0.7920978685491056,0.7583270509218011,0.4673171818244123,0.4031080803234871,0.6052125454047015
EOS-3-09509,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)nc1,MFMVZZKHVCFFRK-UHFFFAOYSA-N,3,1,0.375,33,53,466.465,1.904,6,0.377,0.74,0.996,0.27917037900075387,0.0771794256733603,0.03289699129600439,0.03859399629908848,0.10696019806730175
EOS-3-09510,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(C#N)cc5)cn4)n23)nc1,IJPZOZGIUVVXNP-UHFFFAOYSA-N,3,1,0.325,98,213,457.461,2.977,6,0.391,0.73,1.0,0.13946953601535192,0.14017202385031868,0.30928311973134126,0.37504283462408333,0.24099187855527382
EOS-3-09511,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(C(=O)O)cc4)n23)nc1,SWTKJJSLCCDNHU-UHFFFAOYSA-N,3,1,0.511,4,22,427.424,2.864,5,0.439,0.75,1.0,0.32120827907614286,0.010117538208484681,0.387816119525735,0.20693406894661093,0.23151900143924337
EOS-3-09512,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnnn6C)cn5)n34)cc2)cn1,JEJSULRRHMAFOU-UHFFFAOYSA-N,3,1,0.245,98,725,434.467,3.049,6,0.42,0.7,1.0,0.01520629154958536,0.02108320197381948,0.32411246658899323,0.29860016448495647,0.16475053114933863
EOS-3-09513,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)cc2)n1,OLUVPPGESAIQSG-UHFFFAOYSA-N,3,1,0.32,25,508,434.467,3.049,6,0.42,0.7,1.0,0.10457645123706394,0.0547940511274073,0.24736995408128298,0.2391714070317319,0.16147796586937152
EOS-3-09514,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5cnccn5)ncc4F)n23)cn1,PQPULCNTKQMRDS-UHFFFAOYSA-N,3,1,0.423,7,85,458.417,1.511,5,0.397,0.72,1.0,0.5888475772736619,0.4002295935850867,0.06437187307244191,0.0362723596737715,0.2724303509012405
EOS-3-09515,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(COC(F)F)cn4)n23)cc1,HTARNHPJHCIKNU-UHFFFAOYSA-N,3,1,0.358,66,437,411.372,2.347,4,0.519,0.87,0.995,0.36399150161058186,0.2934343088205058,0.5594887259269412,0.41921389897882255,0.40903210883421287
EOS-3-09516,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1,OCBVTEFSLLIVAH-UHFFFAOYSA-N,3,1,0.321,10,872,436.414,3.03,6,0.414,0.69,1.0,0.006665067507367555,0.1362569392091015,0.3803286272359674,0.4602751696251114,0.24588145089438695
EOS-3-09517,CCOc1cc(C(F)F)c(F)cc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3F)n12,PXUFYSAXFRGJHW-UHFFFAOYSA-N,3,1,0.394,23,999,445.376,4.172,4,0.45,0.71,0.953,0.6255397162634501,0.6641594133369886,0.9630080186416284,0.9170893016242889,0.792449112466589
EOS-3-09518,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)c1,NSXLGGZSPHACFB-UHFFFAOYSA-N,3,1,0.345,3,581,450.441,3.245,6,0.402,0.75,1.0,0.0922914810499623,0.19250736755534234,0.265214858474402,0.38141662668768417,0.2328575834418477
EOS-3-09519,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5F)cc4)n23)cc1,ATECZKHEKQUUEQ-UHFFFAOYSA-N,3,1,0.4,83,472,441.441,4.763,5,0.436,0.82,1.0,0.3686433417860325,0.3666643821533822,0.9227263381536563,0.9001010897128366,0.6395337879514769
EOS-3-09520,Fc1cncc(-c2ncc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)cn2)c1,FXWSRNYXTNRSAK-UHFFFAOYSA-N,3,1,0.28,86,780,437.402,2.425,6,0.409,0.68,1.0,0.009115208004934549,0.08739976697964498,0.23668699883489822,0.2836080460557878,0.15420250496881638
EOS-3-09521,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccc(F)nc5)cnn4C)n23)cn1,TYZDMLCICDGNCN-UHFFFAOYSA-N,3,1,0.356,82,336,429.419,2.147,5,0.435,0.67,1.0,0.0807175656226441,0.192515934480159,0.1979216640394764,0.15459872524158727,0.1564384723459667
EOS-3-09522,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(-c5cccnn5)c4)n23)cc1,BDWQBYYKHRFEKY-UHFFFAOYSA-N,3,1,0.495,89,731,458.869,2.975,5,0.384,0.74,1.0,0.6884466451922417,0.3763792748954835,0.4635648687547118,0.3939414707696525,0.4805830649030224
EOS-3-09523,Cc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)cn2)cn1,QQNHBNNYDPOUDS-UHFFFAOYSA-N,3,1,0.34,42,150,449.453,3.944,6,0.402,0.75,1.0,0.03331677061202111,0.16705503392502227,0.5260091837434034,0.5172109519566856,0.3108979850592831
EOS-3-09524,Cn1ncc(-c2cccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)cc1=O,AUTMGNYZGROTBC-UHFFFAOYSA-N,3,1,0.49,15,470,443.442,2.708,5,0.398,0.72,1.0,0.4361250085669248,0.28805428003563843,0.39127715715166883,0.38782468645055174,0.37582028305119597
EOS-3-09525,Cn1cc(-c2ccc(Cl)c(-c3nnc4cncc(CCc5ncccc5F)n34)c2)cn1,PQCGHJFSNVCWAC-UHFFFAOYSA-N,3,1,0.354,14,487,433.878,4.165,5,0.416,0.84,1.0,0.255105887190734,0.41885408813652253,0.6495014049756699,0.7137362072510451,0.5092993968884929
EOS-3-09526,CS(=O)(=O)c1cnc(-c2cncc3nnc(-c4cncnc4-c4cncc(F)c4)n23)nc1,HPAXGMHYGFVPSQ-UHFFFAOYSA-N,3,1,0.287,50,489,449.431,1.643,5,0.397,0.7,0.348,0.18103625522582414,0.30827222260297443,0.10595572613254746,0.15202864779658692,0.18682321293948323
EOS-3-09527,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nccc(C)n5)s4)n23)cc1,CSEZUJMJOBTZRB-UHFFFAOYSA-N,3,1,0.539,89,731,458.507,2.952,5,0.412,0.74,1.0,0.4813412377492975,0.22142930573641287,0.07282742786649304,0.028279418819820438,0.20096934754300597
EOS-3-09528,Cn1nnc(-c2ccc(F)c(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c2)n1,QNVQSUHPYNTCGZ-UHFFFAOYSA-N,3,1,0.59,34,258,438.373,2.978,5,0.416,0.73,1.0,0.7156637653347955,0.7882084846823384,0.7011942293194435,0.7324463710506477,0.7343782125968064
EOS-3-09529,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)c4)n23)cn1,CWSFQXJCEMWEHR-UHFFFAOYSA-N,3,1,0.446,55,283,425.412,1.716,5,0.429,0.72,1.0,0.4790624357480639,0.20199095332739359,0.1340809403056679,0.08613186210677815,0.2253165478719759
EOS-3-09530,c1ccc(-c2ccc(-c3nnc4cncc(Cc5ccc(-c6ncccn6)cn5)n34)cc2)nc1,WOHYUKLOOCNVCH-UHFFFAOYSA-N,3,1,0.379,41,120,442.486,4.296,6,0.393,0.79,1.0,0.16164930436570488,0.13626550613391816,0.43113905832362415,0.4319443492563909,0.2902495545199095
EOS-3-09531,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cc1,LMSIFAWYJCUGTH-UHFFFAOYSA-N,3,1,0.289,10,356,438.39,1.82,6,0.4,0.69,0.924,0.0037094784456171612,0.10640120622301419,0.052797957645123704,0.13086834349941745,0.07344424645329312
EOS-3-09533,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cn4)n23)cn1,MNHJBQPVAPALQA-UHFFFAOYSA-N,3,1,0.326,82,155,426.44,3.058,5,0.451,0.73,1.0,0.3938129668974025,0.267330888904119,0.4241227468987732,0.1927815091494757,0.3195120279624426
EOS-3-09534,CCc1cc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)ccc1Cl,WMEDCMJUVITQPY-UHFFFAOYSA-N,3,1,0.519,68,900,434.809,4.395,4,0.463,0.74,1.0,0.8709564114865328,0.9433040915632924,0.9690991021862793,0.9367418271537249,0.9300253580974573
EOS-3-09536,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccc(-n5ccnc5)n4)n23)cc1,RMWDJARYPUTOQO-UHFFFAOYSA-N,3,1,0.475,89,398,466.505,2.886,6,0.374,0.79,0.999,0.3848091289150846,0.1514289630594202,0.10339421561236378,0.10186073607018024,0.1853732609142622
EOS-3-09537,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)s4)n23)cc1,ALLCBBNXQUNVHR-UHFFFAOYSA-N,3,1,0.495,89,731,462.47,2.783,5,0.409,0.7,0.999,0.5576297032417243,0.40484716606127064,0.18436878897950792,0.11541361113014872,0.31556481735316294
EOS-3-09538,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)c1,DWFZRMKTWMQJNI-UHFFFAOYSA-N,3,1,0.269,98,880,432.451,3.106,6,0.418,0.71,0.788,0.061125008566924814,0.01442670139126859,0.17480810088410664,0.23325166198341443,0.12090286820642862
EOS-3-09539,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)n1,JRPOJBYXKHPFHT-UHFFFAOYSA-N,3,1,0.276,86,114,432.451,3.106,6,0.418,0.71,0.912,0.07247618394900966,0.01012610513330135,0.0982283599479131,0.12008258515523268,0.0752283085463642
EOS-3-09540,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccon5)cn4)n23)cn1,GKUDMUVVEWBXEG-UHFFFAOYSA-N,3,1,0.341,82,514,413.401,2.048,5,0.459,0.86,1.0,0.15088924679597013,0.09358508669727915,0.03819135083270509,0.02036358028921938,0.07575731615379343
EOS-3-09542,Fc1cc(-c2ncc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)ccn1,LRXRSARZKUPRIS-UHFFFAOYSA-N,3,1,0.315,10,37,436.414,3.03,6,0.388,0.76,1.0,0.004900280995133986,0.08069186484819409,0.2985316290864231,0.3587656774724145,0.1857223631005414
EOS-3-09544,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccc(F)nc5)no4)n23)cn1,BVDJSJYHIMKENS-UHFFFAOYSA-N,3,1,0.356,85,290,430.403,2.326,5,0.421,0.73,0.972,0.23648995956411487,0.2983260228908231,0.20841614693989446,0.157442944280721,0.2251687684188884
EOS-3-09545,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nc(OC)nn5C)ncn4)n23)cc1,KAXWGPKEGCPVJD-UHFFFAOYSA-N,3,1,0.311,74,333,442.443,1.412,5,0.428,0.73,0.999,0.287523130697005,0.05877767116715784,0.027140017819203617,0.007042012199300939,0.09512070797066685
EOS-3-09546,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4F)n23)c1,KSEZOSMTJDJILE-UHFFFAOYSA-N,3,1,0.337,98,642,452.457,3.188,6,0.405,0.72,1.0,0.19498320882735934,0.2724710437941197,0.3241210335138099,0.34586388869851276,0.28435979370845044
EOS-3-09547,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4ncnnc4OC(F)F)n23)cc1,XLCYUWWAAUYOPK-UHFFFAOYSA-N,3,1,0.352,66,542,448.34,2.24,4,0.428,0.71,0.841,0.6913765334795422,0.5352443286957713,0.6715698033034062,0.5535946816530738,0.6129463367829484
EOS-3-09548,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)n1C,KZHJCKHDKVPWGM-UHFFFAOYSA-N,3,1,0.523,4,10,450.865,3.662,5,0.403,0.77,1.0,0.5188900692207525,0.7623706394352683,0.2877630045918717,0.3750514015489,0.48601877869919813
EOS-3-09549,CCNC(=O)c1ccc(-c2nnc3cncc(Oc4cnc(-c5cnc(C)cn5)nn4)n23)cc1,PWMHSBBFKRPBLA-UHFFFAOYSA-N,3,1,0.4,89,408,454.454,2.284,5,0.405,0.73,1.0,0.46653759166609554,0.16706360084983893,0.04908847919950655,0.01735658967856898,0.1750115653485025
EOS-3-09550,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ncccn5)n34)cc2)n1,JADJBAHDAQIMAY-UHFFFAOYSA-N,3,1,0.268,39,495,434.427,1.896,6,0.404,0.71,1.0,0.05934308820505791,0.030678157768487424,0.023045027756836405,0.02916181207593722,0.03555702145157974
EOS-3-09551,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cn5)n34)cc2)n1,UVXWAJMHFUKXDY-UHFFFAOYSA-N,3,1,0.296,98,882,435.455,2.444,6,0.414,0.68,1.0,0.084923925707628,0.05480261805222397,0.11723836611609896,0.1104704955109314,0.09185885134672059
EOS-3-09552,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)cc1,PELYIIYNQRKBJX-UHFFFAOYSA-N,3,1,0.282,98,882,435.455,2.444,6,0.414,0.68,1.0,0.10458501816188061,0.07000034267699266,0.09565828250291275,0.09977897333972997,0.092505654170379
EOS-3-09553,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)ncn1,GBJAPIYHUIUFJI-UHFFFAOYSA-N,3,1,0.295,98,746,433.439,2.501,6,0.412,0.71,1.0,0.07048009046672607,0.05094750188472346,0.09122061544787884,0.1308769104242341,0.08588127955589062
EOS-3-09554,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)cn5)n34)cn2)ccn1,BYERDJBDADPABI-UHFFFAOYSA-N,3,1,0.384,52,229,478.516,3.091,6,0.387,0.86,0.995,0.03887670481803852,0.0015334795421835378,0.014006922075251867,0.03419916386813789,0.022154067575902953
EOS-3-09555,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)c1,QQHTYKKBVDDHSE-UHFFFAOYSA-N,3,1,0.367,10,952,436.414,3.03,6,0.414,0.7,0.993,0.012010828592968268,0.14747104379411966,0.2013055993420602,0.31130491398807486,0.16802309642930574
EOS-3-09556,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(N6CCOCC6)nn5)n34)nn2)cc1,XXLDIJSKCIFHQE-UHFFFAOYSA-N,3,1,0.267,53,880,438.455,1.937,6,0.411,0.68,0.684,0.049234116921389896,0.00312692755808375,0.0013107394969501748,0.004189226235350558,0.014465252552943593
EOS-3-09557,CNC(=O)c1ccc(-c2nnc3cncc(-c4csc(-c5ccc(Cl)nc5)n4)n23)cc1F,LTLMWPZCKHNEFM-UHFFFAOYSA-N,3,1,0.349,96,802,465.901,4.129,5,0.401,0.81,1.0,0.2117315468439449,0.332550887533411,0.5260177506682201,0.5306267562195874,0.40023173531629086
EOS-3-09558,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(F)cn5)n4)n23)c(Cl)c1,XEQVQYWLKPXKRT-UHFFFAOYSA-N,3,1,0.394,96,155,446.833,3.202,5,0.449,0.63,1.0,0.2737560825166198,0.3134209444177918,0.5428688917826057,0.5886162703036119,0.42966554725515727
EOS-3-09559,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,WWUNCOZFNDUSNG-UHFFFAOYSA-N,3,1,0.483,4,208,434.822,3.41,5,0.414,0.7,1.0,0.5916746624631622,0.6788345555479405,0.5361438558015215,0.5698975395791926,0.5941376533479542
EOS-3-09560,Cn1nnnc1-c1cc(F)cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1,GYXDYWALISMBJD-UHFFFAOYSA-N,3,1,0.302,25,791,449.453,3.85,6,0.403,0.75,1.0,0.11207251045164827,0.22680933452128024,0.4311476252484408,0.5441453635802892,0.3285437084504146
EOS-3-09561,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cc2)n1,JKAUFSMBSVKSJT-UHFFFAOYSA-N,3,1,0.351,9,867,449.453,3.85,6,0.403,0.75,1.0,0.2712802412446028,0.2419642245219656,0.5124134740593517,0.49386608183126585,0.3798810054142965
EOS-3-09562,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cn1,AWOYGPLRROTXOH-UHFFFAOYSA-N,3,1,0.489,90,555,413.8,2.312,4,0.5,0.81,1.0,0.6369851278185182,0.5586834349941745,0.42757521759989037,0.3552875059968474,0.49463282160235766
EOS-3-09563,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)n1,GCVGIMRKHBGETI-UHFFFAOYSA-N,3,1,0.575,15,447,433.863,2.652,5,0.402,0.74,1.0,0.7189448975395792,0.6837434034678912,0.21201425536289495,0.25685353985333426,0.4678890240559249
EOS-3-09564,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)nc2)cc1F,MKMBXVBQAJRJRY-UHFFFAOYSA-N,3,1,0.349,10,151,454.404,3.169,6,0.399,0.71,0.999,0.012019395517784935,0.14018059077513537,0.6405661023918854,0.6885237475155918,0.37032245905009936
EOS-3-09565,CCOC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)O)c(F)c4)n23)c(Cl)n1,HMVJOAHGSMOFRG-UHFFFAOYSA-N,3,1,0.346,90,999,441.806,3.521,4,0.369,0.8,1.0,0.39592899732711945,0.24197279144678227,0.46357343567952847,0.3783496676033171,0.36995622301418685
EOS-3-09566,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)cc2)nc1,BNUCHSFLAHLHGK-UHFFFAOYSA-N,3,1,0.293,38,608,419.412,2.49,6,0.457,0.74,1.0,0.11208107737646494,0.12935199780686724,0.18097628675210747,0.19516311424850935,0.15439311904598724
EOS-3-09567,Cc1cnc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nn5)c4)n23)cn1,CECMMYPPXDPSFW-UHFFFAOYSA-N,3,1,0.394,53,828,431.847,2.974,5,0.413,0.7,1.0,0.5448821191145227,0.5261719553149201,0.2366955657597149,0.24206702761976562,0.38745416695223084
EOS-3-09568,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccn2)c1,RGENGVVRIMLSIM-UHFFFAOYSA-N,3,1,0.5,24,332,435.85,3.958,5,0.415,0.77,1.0,0.7461106161332328,0.6935096977588925,0.7586440271400178,0.7635700089096018,0.7404585874854361
EOS-3-09569,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5nc(C)nn5C)n4)n23)nc1,QJAHMUDPUAHNAO-UHFFFAOYSA-N,3,1,0.264,33,432,441.459,1.497,5,0.429,0.64,0.784,0.06635083270509218,0.009235144952367899,0.007958673154684395,0.0022702350764169693,0.021453721472140357
EOS-3-09570,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,XDBASPGFKSIQQH-UHFFFAOYSA-N,3,1,0.368,93,651,430.475,4.316,6,0.414,0.81,1.0,0.1924045644575423,0.10640977314783086,0.460078130354328,0.5140497566993352,0.31823555616475907
EOS-3-09571,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)cn1,JEOVYPXFOGTQTF-UHFFFAOYSA-N,3,1,0.324,42,57,430.475,4.316,6,0.414,0.81,1.0,0.05751833321910767,0.07718799259817696,0.652208553217737,0.6189774518538825,0.351473082722226
EOS-3-09572,Cn1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)nc2)cn1,PHUORJYLFOGDPO-UHFFFAOYSA-N,3,1,0.316,80,967,446.478,3.03,6,0.397,0.74,1.0,0.06113357549174148,0.03678637516277157,0.2257556027688301,0.18988588856144198,0.1283903604961963
EOS-3-09573,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)o1,NGKAWELFAQEBOZ-UHFFFAOYSA-N,3,1,0.368,32,327,437.398,3.499,6,0.408,0.74,0.983,0.2685559591529025,0.40023816050990335,0.31298403125214175,0.3783582345281338,0.3400340963607703
EOS-3-09574,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5sc(F)cc5F)cc4)n23)cc1,WIACIPZINLNGTE-UHFFFAOYSA-N,3,1,0.441,62,319,461.497,4.748,5,0.41,0.83,1.0,0.37803269138510043,0.33255945445822765,0.8093088205057912,0.7377921321362484,0.5644232746213419
EOS-3-09575,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnn5)nc4)n23)cn1,DLKXVVNNNXBFSA-UHFFFAOYSA-N,3,1,0.484,55,707,440.427,1.372,5,0.411,0.69,1.0,0.5137499143307518,0.1971677746556096,0.09566684942772942,0.044822150640805976,0.2128516722637242
EOS-3-09576,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5)ccc4Cl)n23)cc1F,GABDUOSRYPJYKB-UHFFFAOYSA-N,3,1,0.343,96,648,458.884,4.672,5,0.423,0.83,1.0,0.3008189980124734,0.36667294907819886,0.8619782742786649,0.8645226509492153,0.5984982180796381
EOS-3-09577,CCc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)c1,ZTFROAGAXSOBCR-UHFFFAOYSA-N,3,1,0.254,39,972,446.478,3.453,6,0.396,0.74,1.0,0.002510108971283668,0.0027585497909670344,0.16816016722637242,0.1870588033719416,0.0901219073401412
EOS-3-09578,O=C(c1ccc(-c2cncc3nnc(-c4ccnnc4-c4ccncc4)n23)cn1)N1CCOCC1,BDNUERRWFZHWSW-UHFFFAOYSA-N,3,1,0.388,82,229,465.477,2.178,6,0.393,0.73,1.0,0.019695360153519293,0.0009594955794667946,0.004377698581317251,0.013415804262901789,0.009612089644301281
EOS-3-09579,Cn1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)c1,KMELLAUBSYIFBS-UHFFFAOYSA-N,3,1,0.495,89,398,466.505,3.058,6,0.392,0.79,1.0,0.36639024055924885,0.1554211500239874,0.17135563018298952,0.14203961346035227,0.2088016585566445
EOS-3-09580,CNC(=O)c1ccc(-c2cc(-c3nnc4cncc(Cc5cnc(CF)cn5)n34)nc(C)n2)cc1,CBNFNFFKZYKRIJ-UHFFFAOYSA-N,3,1,0.324,85,357,469.484,2.767,5,0.403,0.73,1.0,0.1394781029401686,0.06649647042697553,0.12823829758070043,0.07559454458227674,0.10245185388253034
EOS-3-09581,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cn5)n34)n2)cc1,SAXLFYBEBISQBP-UHFFFAOYSA-N,3,1,0.329,3,158,453.416,3.774,6,0.401,0.76,1.0,0.016011582482352134,0.20199952025221027,0.5160030155575355,0.6651103419916387,0.3497811150709341
EOS-3-09582,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)ccc1-c1cnncn1,MKCMWBYNIPDKKL-UHFFFAOYSA-N,3,1,0.364,9,867,437.398,3.499,6,0.408,0.71,1.0,0.36865190871084913,0.35223768076211365,0.5918545678843122,0.5948187238708793,0.4768907203070386
EOS-3-09583,Cn1ccc(Cn2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nn2)n1,VFDNGHVIYBPLSA-UHFFFAOYSA-N,3,1,0.306,33,505,455.486,1.043,6,0.385,0.72,1.0,0.014298197519018573,0.008566924816667808,0.00484887944623398,0.004197793160167227,0.007977948735521897
EOS-3-09584,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)nn5)n34)cn2)cn1,LZWQGDDEIBIXGZ-UHFFFAOYSA-N,3,1,0.307,10,151,454.885,3.488,6,0.401,0.73,0.999,0.000942361729833459,0.09040675759029539,0.3841323418545679,0.4696645192241793,0.236286495099719
EOS-3-09585,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5Cl)nn4)n23)cc1,IRLJNUVFAGTYKD-UHFFFAOYSA-N,3,1,0.318,67,39,454.885,3.488,6,0.401,0.73,1.0,0.026052018367486808,0.18388047426495785,0.3092916866561579,0.4287660201494072,0.23699754985950244
EOS-3-09586,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)cn2)nc1,JZYOQOWGCADQTJ-UHFFFAOYSA-N,3,1,0.277,94,902,448.425,3.301,6,0.4,0.72,0.989,0.2930145295044891,0.337553971626345,0.26522342539921867,0.30816085258035775,0.30098819477760264
EOS-3-09587,Cc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)nn5)n34)nc2)nc1,WDMUANVMRANVCO-UHFFFAOYSA-N,3,1,0.365,51,48,441.415,0.815,5,0.395,0.7,0.996,0.3979936262079364,0.11891748338016586,0.010151805907751353,0.0033839353025837847,0.13261171269960934
EOS-3-09588,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)CC1,WEOLQTHFUAYWCU-UHFFFAOYSA-N,3,1,0.318,62,269,448.49,3.593,6,0.437,0.73,1.0,0.2033188266739771,0.04007607429237201,0.1748166678089233,0.24784113494619972,0.16651317593036805
EOS-3-09589,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-n5ccnn5)c4)n23)c(Cl)c1,QNOCURICSQFYAC-UHFFFAOYSA-N,3,1,0.536,16,446,439.266,3.653,5,0.413,0.79,1.0,0.41772325406072236,0.6115070934137482,0.6283325337536838,0.7190134329381125,0.5941440785415667
EOS-3-09590,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ccc(-c4cncnn4)nc3)n12,ZJOMBGRMSGINPS-UHFFFAOYSA-N,3,1,0.317,85,740,423.44,2.036,5,0.453,0.66,0.983,0.12871804537043383,0.027833938729353712,0.1944606264135426,0.1308854773490508,0.12047452196559522
EOS-3-09591,Fc1cc(F)cc(COc2cncc3nnc(-c4cc(-c5cncc(F)c5)ncn4)n23)c1,XLDMFQDGAOJGBN-UHFFFAOYSA-N,3,1,0.443,44,16,435.369,3.64,5,0.416,0.72,0.855,0.7281029401685971,0.6445668562812693,0.8662617366869988,0.8710592145843328,0.7774976869302995
EOS-3-09592,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)nc2)cn1,YSZPKEUPEKYBDV-UHFFFAOYSA-N,3,1,0.25,86,967,435.455,2.444,6,0.414,0.69,1.0,0.028519292714687138,0.015840243986018777,0.1586594476046878,0.1222585840586663,0.081319392091015
EOS-3-09593,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cn(C)nn6)c5)n34)nc2)nn1,RKWPOWVDQYBKAE-UHFFFAOYSA-N,3,1,0.276,98,813,435.455,2.444,6,0.414,0.69,1.0,0.01521485847440203,0.008575491741484477,0.14620313892125283,0.14701699677883626,0.0792526214789939
EOS-3-09594,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)nn4C)n23)cc1,ITPDGUJICKUKCS-UHFFFAOYSA-N,3,1,0.377,9,553,433.479,3.654,6,0.421,0.74,1.0,0.07429237201014324,0.06264135425947502,0.17797786306627372,0.20407271605784388,0.12974607634843396
EOS-3-09595,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccc(Cl)c(F)c4)n23)cc1,GDQLMDRXUAUESF-UHFFFAOYSA-N,3,1,0.426,62,3,464.913,4.734,5,0.415,0.86,1.0,0.2712888081694195,0.38105681584538414,0.7012027962442602,0.7051521485847441,0.514675142210952
EOS-3-09596,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nc2)cnn1,YPHPLXYSYKOLTO-UHFFFAOYSA-N,3,1,0.533,19,159,427.443,3.712,5,0.408,0.78,1.0,0.712502570077445,0.7034558974710438,0.5855578781440615,0.5571071208279076,0.6396558666301144
EOS-3-09597,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)cn1,CJYQDXWSSJEJFH-UHFFFAOYSA-N,3,1,0.371,42,106,431.463,3.711,6,0.419,0.75,1.0,0.11514803646083202,0.0587862380919745,0.25460043862655063,0.26282468645055174,0.17283984990747722
EOS-3-09600,Cn1nc(C(F)F)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,QHRACNPVSJTZJY-UHFFFAOYSA-N,3,1,0.343,63,437,410.388,2.417,5,0.542,0.86,0.999,0.13695942704406827,0.11277499828661504,0.04909704612432321,0.07560311150709341,0.09360864574052498
EOS-3-09601,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)c1,FYOWXLXVCFPNFK-UHFFFAOYSA-N,3,1,0.289,25,213,450.441,3.245,6,0.376,0.75,1.0,0.10211774381468028,0.1971763415804263,0.35399390034953054,0.4192224659036392,0.2681276129120691
EOS-3-09602,N#Cc1ccncc1CCOc1cncc2nnc(-c3cccc(-c4ccc(F)cn4)c3)n12,XNDARBAOOYGYEJ-UHFFFAOYSA-N,3,1,0.533,35,201,437.438,3.881,5,0.397,0.79,1.0,0.9184685765197724,0.8752741415941334,0.7882855870056884,0.7686844630251525,0.8376781920361867
EOS-3-09603,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,BTCAAHAYVHVVQY-UHFFFAOYSA-N,3,1,0.378,25,39,421.428,2.23,6,0.425,0.75,1.0,0.009843396614351312,0.03679494208758824,0.08411006785004455,0.12456308683434994,0.06382787334658352
EOS-3-09604,Cc1cc(-c2cnc(F)cn2)nnc1Cc1cncc2nnc(-c3ccc(CO)nc3)n12,GHWAEGMJXIQUNV-UHFFFAOYSA-N,3,1,0.364,85,60,429.419,1.964,5,0.446,0.65,0.999,0.34329381125351244,0.3572921664039476,0.16816873415118908,0.16786032485778904,0.25915375916660954
EOS-3-09605,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cc1,GHOANHCWMDMDFH-UHFFFAOYSA-N,3,1,0.329,64,885,448.465,4.455,6,0.396,0.84,1.0,0.23088719073401412,0.27247961071893634,0.6167843191008155,0.6624288945240216,0.44564500376944693
EOS-3-09606,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cccc(CO)n5)n34)c2)nn1,LZCXLRVEQYSUIU-UHFFFAOYSA-N,3,1,0.453,4,506,426.44,2.418,5,0.436,0.75,1.0,0.37559968473716676,0.2880628469604551,0.23670413268453155,0.17344595983825645,0.2684531560551025
EOS-3-09607,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cccc(-c5ccnc(F)c5)c4)n23)cc1,HMQDVNUDGFFDHG-UHFFFAOYSA-N,3,1,0.433,62,319,452.493,4.137,5,0.392,0.81,1.0,0.3433023781783291,0.282751353574121,0.6744225892673565,0.5918203001850456,0.4730741553012131
EOS-3-09608,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)nn1C,PEOHOAWNPOGWLM-UHFFFAOYSA-N,3,1,0.506,16,256,432.875,3.523,5,0.419,0.74,1.0,0.46880782674251253,0.4674713864711123,0.2652319923240354,0.2805496538962374,0.3705152148584744
EOS-3-09609,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncs5)nc4)n23)nc1,PUWBSOUCSFVZIG-UHFFFAOYSA-N,3,1,0.422,33,346,445.468,2.038,5,0.417,0.69,0.999,0.4594613117675279,0.20200808717702692,0.06040538688232472,0.024535672674936605,0.18660261462545402
EOS-3-09610,Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOC(C(F)(F)F)C5)cc4)n23)ncn1,JKQXFHOXRJKGFH-UHFFFAOYSA-N,3,1,0.345,0,825,469.427,2.96,5,0.455,0.67,1.0,0.05935165512987458,0.07719655952299363,0.4774004523336303,0.48178671783976423,0.2739338462065657
EOS-3-09611,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nncnc4-c4cccc(F)n4)n23)cc1,JGWKXDMERJJOOW-UHFFFAOYSA-N,3,1,0.323,74,423,453.441,2.737,6,0.403,0.69,0.787,0.25775306695908434,0.17557055719279008,0.10340278253718045,0.1817901446096909,0.17962913782468645
EOS-3-09612,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ncn4)n23)cc1,JSZLZUVZRWXSJV-UHFFFAOYSA-N,3,1,0.44,36,463,457.458,1.1,5,0.376,0.73,1.0,0.30602768830100746,0.11278356521143171,0.019224179288602563,0.00680213830443424,0.11120939277636899
EOS-3-09613,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)[nH]4)n23)cc1,ASAZVJYXHYQONU-UHFFFAOYSA-N,3,1,0.426,89,398,453.466,2.443,6,0.384,0.77,1.0,0.42479953395929,0.17099581934068947,0.05649030224110753,0.057038585429374275,0.1773310602426153
EOS-3-09614,FC(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)cn4)n23)cn1,WGIJNYRSWTWGAZ-UHFFFAOYSA-N,3,1,0.408,50,243,436.813,4.296,5,0.414,0.78,1.0,0.33863340415324517,0.4807843876362141,0.7682989514084024,0.7635785758344185,0.58782382975807
EOS-3-09615,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccncc4)n23)cn1,WDFKDPPHMGKGMF-UHFFFAOYSA-N,3,1,0.3,94,723,432.451,3.106,6,0.418,0.72,0.999,0.06635939962990885,0.047375094236172983,0.26524055924885204,0.2568621067781509,0.1589592899732712
EOS-3-09616,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccncc4-c4ccccc4)n23)ccn1,SKVGFFLRLKCFEX-UHFFFAOYSA-N,3,1,0.295,42,213,432.451,3.106,6,0.418,0.72,1.0,0.06114214241655815,0.018941470769652524,0.16817730107600576,0.24784970187101638,0.1240276540333082
EOS-3-09617,Cn1ccnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nn1,ITWGTVXEFAMAEW-UHFFFAOYSA-N,3,1,0.297,70,934,432.451,3.106,6,0.418,0.72,1.0,0.07048865739154273,0.025555136728120074,0.10073846891919677,0.1520372147214036,0.0872048694400658
EOS-3-09618,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)cn1,VZGQXTVZJXPAJQ-UHFFFAOYSA-N,3,1,0.27,86,957,420.44,2.834,6,0.432,0.76,1.0,0.0016277157151668837,0.0037780138441505036,0.32412960043862654,0.305059625796724,0.158648738948667
EOS-3-09619,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nn1,XMESONGIZHRZFD-UHFFFAOYSA-N,3,1,0.325,3,115,435.426,3.635,6,0.417,0.7,1.0,0.01782777054348571,0.1838890411897745,0.4600866972791447,0.5204663833870194,0.2955674730998561
EOS-3-09620,Cc1nn(C)cc1-c1ncc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cn1,CUXGBQZKPDGOAQ-UHFFFAOYSA-N,3,1,0.542,89,731,441.455,1.968,5,0.422,0.67,0.999,0.38933246521828524,0.11279213213624838,0.10341134946199712,0.0410098690973888,0.1616364539784799
EOS-3-09621,Cc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cc1,RUHSEXZIULBQST-UHFFFAOYSA-N,3,1,0.372,52,376,461.529,4.46,6,0.393,0.83,1.0,0.05752690014392434,0.013038859570968404,0.017493660475635667,0.07561167843191008,0.04091777465560962
EOS-3-09622,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)cn4)n23)cc1,GCBMMPJMCKZLHL-UHFFFAOYSA-N,3,1,0.376,62,331,413.416,3.143,5,0.489,0.83,1.0,0.08280789527791105,0.19252450140497568,0.5887619080254952,0.5235504763210198,0.3469111952573505
EOS-3-09623,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)cc1,LYMPIWZGLOZJMP-UHFFFAOYSA-N,3,1,0.333,9,867,449.453,3.85,6,0.403,0.73,1.0,0.2335515043519978,0.2827599204989377,0.48814337605373176,0.4907991227468988,0.3738134809128915
EOS-3-09624,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)ncc1F,VRIFSOMMLHTMEE-UHFFFAOYSA-N,3,1,0.456,46,348,447.861,4.323,5,0.396,0.8,1.0,0.8901548900006854,0.8611044479473648,0.6167928860256322,0.6275700774450004,0.7489055753546707
EOS-3-09625,COc1cc(-c2cnn(C)n2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,AYVVVVRAPYNXJF-UHFFFAOYSA-N,3,1,0.327,52,269,466.505,3.155,6,0.409,0.76,1.0,0.26329586731546845,0.08070043177301076,0.18098485367692413,0.14449832088273593,0.16736986841203483
EOS-3-09626,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)nc1,XAHZYDQNAHFNMB-UHFFFAOYSA-N,3,1,0.333,94,515,450.441,3.245,6,0.402,0.72,0.939,0.1287266122952505,0.2470701117126996,0.37272119799876635,0.42877458707422383,0.2943231272702351
EOS-3-09627,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(C#N)c5)cc4)n23)c1,ZGGWJXXJWRIWDW-UHFFFAOYSA-N,3,1,0.349,25,228,455.485,4.187,6,0.392,0.82,1.0,0.1780121307655404,0.1798197519018573,0.6197227743129327,0.6798368857514906,0.4143478856829552
EOS-3-09628,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)c(F)c1,NNXLLMDMUYDKLG-UHFFFAOYSA-N,3,1,0.314,98,866,454.433,1.978,6,0.392,0.69,0.998,0.23089575765883077,0.28807141388527174,0.09333664587759578,0.12668768418888357,0.18474787540264548
EOS-3-09629,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cn4)n23)nc1,PVKWJIXYSMAHRO-UHFFFAOYSA-N,3,1,0.312,25,219,466.896,3.759,6,0.386,0.8,1.0,0.17506510862860666,0.27755979713522033,0.3129925981769584,0.4508172846275101,0.30410869714207384
EOS-3-09630,O=C(NC1CCC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)s4)n23)cc1F,MXTGHJAZIQYZMV-UHFFFAOYSA-N,3,1,0.381,66,685,476.459,4.279,5,0.435,0.88,1.0,0.26057158522376805,0.3714618600507162,0.477409019258447,0.5070163114248509,0.40411469398944555
EOS-3-09632,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,COLFRQXKBFHQOE-UHFFFAOYSA-N,3,1,0.461,18,531,428.431,3.107,5,0.406,0.74,1.0,0.6576913851004044,0.5879394832430951,0.2652491261736687,0.2805582208210541,0.44785955383455556
EOS-3-09633,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6F)n5)n34)cc2)n1,GSVSJAOWXXXCCK-UHFFFAOYSA-N,3,1,0.299,3,973,450.441,3.339,6,0.376,0.75,0.997,0.023918854088136522,0.1838976081145912,0.20131416626687684,0.25687067370296757,0.16650032554314304
EOS-3-09634,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5cnc(-c6cccnc6)cn5)n34)cn2)cc1,RXGKEPMBCSLGMD-UHFFFAOYSA-N,3,1,0.405,42,106,447.437,3.906,6,0.4,0.74,1.0,0.3034319100815571,0.44098245493797544,0.5089010348845179,0.5571156877527242,0.45260777191419366
EOS-3-09635,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)cc1F,KKUVJPOLOXWTSF-UHFFFAOYSA-N,3,1,0.288,10,673,442.393,3.102,6,0.446,0.68,0.895,0.04329723802343911,0.2268179014460969,0.6107189363306148,0.6394095675416352,0.3800609108354465
EOS-3-09636,Cc1ncc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)cn1,WRDQXDLUOCMJSX-UHFFFAOYSA-N,3,1,0.471,55,441,430.859,3.579,5,0.39,0.77,1.0,0.7575731615379343,0.6935182646837091,0.4810756630799808,0.44135939962990883,0.5933816222328833
EOS-3-09637,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)cc1,RLDQTWKNYRJTCJ-UHFFFAOYSA-N,3,1,0.347,25,791,431.463,3.711,6,0.419,0.73,1.0,0.10711226098279762,0.08418717017339455,0.23671269960934824,0.32341854567884315,0.18785766911109592
EOS-3-09638,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)nc1,MRUOEOMNSSUOEP-UHFFFAOYSA-N,3,1,0.287,70,392,431.463,3.711,6,0.419,0.73,1.0,0.10459358508669728,0.04738366116098965,0.34613803029264617,0.34263415804262903,0.21018735864574054
EOS-3-09639,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)n[nH]1,SQPVJGKIVBNZAW-UHFFFAOYSA-N,3,1,0.466,13,251,422.811,3.865,5,0.468,0.79,1.0,0.6060842300047975,0.7496316222328833,0.5326913851004044,0.5795096292234939,0.6169792166403948
EOS-3-09640,COc1nc(C(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NCC(F)F)cc3)n12,CMDQBYHDLBWTSH-UHFFFAOYSA-N,3,1,0.348,66,999,460.391,3.794,4,0.422,0.76,1.0,0.5716708930162429,0.4717291481049962,0.8676495785072991,0.6914193681036255,0.6506172469330409
EOS-3-09641,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)nn4)n23)cc1,VXFMEFXSHOMUFT-UHFFFAOYSA-N,3,1,0.316,38,63,446.478,3.589,6,0.395,0.75,1.0,0.06636796655472552,0.030686724693304093,0.164973271194572,0.18447159207730793,0.11162488862997738
EOS-3-09642,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)c(F)c4)n23)cc1,MQSUZEVMLMPNKW-UHFFFAOYSA-N,3,1,0.325,25,508,452.457,3.188,6,0.405,0.7,1.0,0.2712973750942362,0.3186639024055925,0.32050579124117606,0.35877424439723116,0.31731032828455896
EOS-3-09643,CCn1c(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC)c(F)c5)n34)n2)nc(C)c1C,VPCZIIDQTMMDJC-UHFFFAOYSA-N,3,1,0.33,74,768,470.512,3.852,5,0.419,0.81,1.0,0.23921424165581523,0.2162805839215955,0.11724693304091563,0.08447844561716127,0.1643050510588719
EOS-3-09644,COc1nc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc(C(F)F)n1,WXBJHYHYAMHPRY-UHFFFAOYSA-N,3,1,0.39,63,108,468.424,2.394,5,0.414,0.68,0.393,0.3188181070522925,0.22143787266122952,0.11404290315948187,0.07562024535672675,0.18247978205743265
EOS-3-09645,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnn5)n4)n23)cc1,MUPFDVVRIXFQLN-UHFFFAOYSA-N,3,1,0.414,89,707,454.454,1.762,5,0.386,0.69,1.0,0.42947707490919057,0.12936056473168392,0.062435748063874995,0.027328490165170312,0.16215046946747996
EOS-3-09646,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)cc2)nn1,PZNPXQUWPCYGMG-UHFFFAOYSA-N,3,1,0.301,38,787,435.476,3.829,6,0.411,0.76,1.0,0.0784558974710438,0.11561921732574874,0.3241381673634432,0.33642313755054487,0.21365910492769516
EOS-3-09647,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cc(F)ccn5)n4)n23)cc1,NBECNCOKSIMNSU-UHFFFAOYSA-N,3,1,0.495,89,268,473.443,3.465,5,0.402,0.79,1.0,0.6312024535672675,0.4188626550613392,0.6016551298745803,0.4938746487560825,0.5363987218148173
EOS-3-09648,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4)n23)cc1,CVGGZUSAYVIOPS-UHFFFAOYSA-N,3,1,0.299,98,42,448.494,3.532,6,0.397,0.77,1.0,0.1202624905763827,0.03386505380028785,0.12551401548900007,0.11771811390583237,0.09933991844287575
EOS-3-09649,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(Oc4ncc(F)cn4)cc3F)n12,VFTFOHPSSWXSRS-UHFFFAOYSA-N,3,1,0.353,96,648,459.416,3.726,5,0.425,0.75,1.0,0.49883489822493315,0.467479953395929,0.6659927352477555,0.5536032485778904,0.546477708861627
EOS-3-09650,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cc1,UQNUBQJCCLZYOA-UHFFFAOYSA-N,3,1,0.333,9,725,449.453,3.85,6,0.377,0.78,1.0,0.18657048865739154,0.23657562881228153,0.5464070317318895,0.5306353231444041,0.37504711808649166
EOS-3-09651,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c(-c2cccnc2)n1,LWYPIDQOZTXPFL-UHFFFAOYSA-N,3,1,0.294,25,213,447.466,2.809,6,0.401,0.72,1.0,0.10712082790761428,0.07720512644781029,0.09334521280241245,0.11047906243574807,0.09703755739839627
EOS-3-09652,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)nc2)cn1,GBSFTRFAKXBHHG-UHFFFAOYSA-N,3,1,0.426,92,36,428.416,1.055,5,0.418,0.7,1.0,0.34331094510314575,0.15923343156740458,0.06244431498869166,0.024544239599753274,0.1473832328147488
EOS-3-09653,Fc1cc(-c2nnc3cncc(OCc4nccc(-c5ccccn5)n4)n23)ccc1Cl,PVIRRMHBHGVKGU-UHFFFAOYSA-N,3,1,0.523,24,335,433.834,4.015,5,0.413,0.77,1.0,0.922375094236173,0.9609176889863614,0.6310910835446508,0.6830409156329244,0.7993561956000274
EOS-3-09654,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-n5ncc(F)n5)n4)n23)cc1,ZHHANMPDNJKEFM-UHFFFAOYSA-N,3,1,0.329,98,882,439.418,2.369,6,0.411,0.68,1.0,0.05078473031320677,0.14018915769995202,0.11405147008429854,0.13089404427386744,0.10897985059283119
EOS-3-09655,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,KFOZSSTVUFGCEF-UHFFFAOYSA-N,3,1,0.376,89,310,466.505,3.58,6,0.407,0.83,1.0,0.3780412583099171,0.1401977246247687,0.10596429305736413,0.08448701254197793,0.17717257213350696
EOS-3-09656,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnn(C)c5)nc4)n23)cc1,IYIUAFYUCFTZII-UHFFFAOYSA-N,3,1,0.35,74,333,411.429,2.008,5,0.481,0.87,1.0,0.12027105750119937,0.04359708039202248,0.17482523473373998,0.09175176478651223,0.10761128435336853
EOS-3-09657,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)no4)n23)cc1,JLKSKSFAEBKVIW-UHFFFAOYSA-N,3,1,0.32,98,635,440.402,2.838,6,0.407,0.7,1.0,0.21712014255362894,0.24707867863751629,0.1779864299910904,0.19795593173874307,0.21003529573024465
EOS-3-09658,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)cc1F,SWAXRCJIODWUOM-UHFFFAOYSA-N,3,1,0.312,74,768,459.42,2.544,5,0.411,0.71,0.999,0.23649852648893152,0.18829244054554178,0.3687033102597492,0.3234271126036598,0.27923034747447056
EOS-3-09659,Clc1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(-c5nn[nH]n5)nn4)n23)cc1,LVNNHCUXDUMOMW-UHFFFAOYSA-N,3,1,0.38,3,63,453.857,3.144,6,0.426,0.67,1.0,0.28203173188952096,0.49424302652319924,0.21872215749434584,0.36550784730313207,0.3401261908025495
EOS-3-09660,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cc5Cl)ns4)n23)cc1,HKORTXBICAGXGU-UHFFFAOYSA-N,3,1,0.368,96,837,465.901,4.129,5,0.428,0.78,1.0,0.2060602426153108,0.3810653827702008,0.44242169830717565,0.49700157631416625,0.3816372250017134
EOS-3-09661,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)cc1,WBQTVJWCJNFXPY-UHFFFAOYSA-N,3,1,0.465,89,51,434.41,3.498,5,0.404,0.76,0.991,0.5662223288328422,0.3666815160030156,0.690502707148242,0.6035826879583305,0.5567473099856076
EOS-3-09662,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)nc1,UZOPLSLIBCNIKD-UHFFFAOYSA-N,3,1,0.319,98,42,434.467,3.049,6,0.42,0.67,1.0,0.10460215201151395,0.05481118497704064,0.19793023096429305,0.18179871153450758,0.1347855698718388
EOS-3-09664,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nn2)c1,QLVARSGQKGZKEB-UHFFFAOYSA-N,3,1,0.346,3,115,441.842,3.742,6,0.406,0.77,1.0,0.07632273319169351,0.18390617503940784,0.4164810499623055,0.5269344116236035,0.3009110924542526
EOS-3-09665,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccnc(Cl)c5)n4)n23)cc1,ARVBJDPBFLHGNE-UHFFFAOYSA-N,3,1,0.318,8,973,457.849,1.673,6,0.358,0.77,1.0,0.022865122335686383,0.17557912411760673,0.031577684874237545,0.07361558494962649,0.07590937906928928
EOS-3-09666,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnnc6)nc5)n34)nc2)nc1,JDXZIEFQLIOOOW-UHFFFAOYSA-N,3,1,0.349,70,687,429.447,3.767,6,0.417,0.76,1.0,0.09230004797477898,0.09672914810499623,0.4424302652319923,0.44785312864094307,0.2698281474881776
EOS-3-09667,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ccncc6)n5)n34)nc2)nc1,VZTRDXRZLZFEDP-UHFFFAOYSA-N,3,1,0.312,32,687,429.447,3.767,6,0.417,0.76,0.999,0.1535535604139538,0.11562778425056541,0.30930025358097457,0.3266739771091769,0.22628889383866768
EOS-3-09668,COc1ncncc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,LVKMZFINDOYAET-UHFFFAOYSA-N,3,1,0.318,52,423,464.489,3.211,6,0.407,0.73,0.999,0.23090432458364746,0.09971043794119663,0.11995408128298266,0.10827736275786444,0.13971155164142282
EOS-3-09669,c1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)cn5)n34)cn2)ccn1,VUWHRBAJPGPBEJ-UHFFFAOYSA-N,3,1,0.311,86,443,431.423,2.557,6,0.41,0.7,1.0,0.09230861489959565,0.0997190048660133,0.21526111986841204,0.24207559454458227,0.16234108354465082
EOS-3-09670,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ncn2)cc1,YTBLMERFDLZQSK-UHFFFAOYSA-N,3,1,0.451,44,130,431.406,3.543,5,0.406,0.77,0.999,0.7491690082927832,0.6887379206360085,0.5982968953464465,0.6422623535055856,0.6696165444452058
EOS-3-09671,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,ZAUIBDPKVNOKQE-UHFFFAOYSA-N,3,1,0.512,37,132,448.849,3.452,5,0.389,0.74,1.0,0.8573435679528476,0.8963916112672196,0.4912874374614488,0.5536118155027071,0.6996586080460557
EOS-3-09672,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5F)cn4)n23)cc1,KYKWPHZALUKWPA-UHFFFAOYSA-N,3,1,0.379,0,999,417.404,1.792,5,0.51,0.68,1.0,0.2283599479130971,0.17100438626550613,0.46009526420396135,0.3174302652319923,0.2942224659036392
EOS-3-09673,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnn5)c4)n23)cc1,MLSGPHJRGVGNMI-UHFFFAOYSA-N,3,1,0.343,9,642,432.451,3.106,6,0.418,0.69,1.0,0.09004694674799534,0.025563703652936743,0.31300116510177506,0.32040298814337603,0.18725370091152077
EOS-3-09674,Cc1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)n2)nn1,DHACFMPGHMIGBA-UHFFFAOYSA-N,3,1,0.406,33,760,441.415,0.815,5,0.395,0.71,1.0,0.35242615310808034,0.10641834007264753,0.017502227400452333,0.006185319717634158,0.12063301007470358
EOS-3-09675,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cn4)n23)nc1,SKSVGUHQELEBFX-UHFFFAOYSA-N,3,1,0.284,99,841,436.443,1.839,6,0.406,0.67,1.0,0.07430093893495991,0.04008464121718868,0.04403399355767254,0.044830717565622645,0.050812572818860945
EOS-3-09676,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(F)c(Cl)c1,DHFRIEFGFZHQQQ-UHFFFAOYSA-N,3,1,0.553,95,998,449.877,4.001,5,0.389,0.82,1.0,0.5063737920636009,0.4942515934480159,0.682432663970941,0.7137447741758618,0.599200705914605
EOS-3-09677,Cc1ccc(-c2cc(-c3nnc4cncc(COc5ccc(Cl)cn5)n34)nc(C)n2)cn1,UJDHYGCYWFCZPY-UHFFFAOYSA-N,3,1,0.32,85,500,444.886,3.888,5,0.402,0.75,1.0,0.41098965115482144,0.43231272702350765,0.3241467342882599,0.2895363580289219,0.3642463676238777
EOS-3-09678,Cc1cc(Cl)c(-c2cccc(-c3nnc4cncc(OCc5cnc(C)nc5)n34)c2)nn1,FAAJHSRIPYILFY-UHFFFAOYSA-N,3,1,0.483,16,506,444.886,3.888,5,0.402,0.75,1.0,0.6086971420738811,0.6164502090329655,0.38033719416078404,0.352383318483997,0.48946696593790695
EOS-3-09679,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)cn5)cc4F)n23)cc1,HCQQHVLBDYKTSO-UHFFFAOYSA-N,3,1,0.367,62,3,458.884,4.672,5,0.423,0.81,1.0,0.3314628880816942,0.40024672743472,0.8430453704338291,0.8262027962442602,0.6002394455486258
EOS-3-09680,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3nnc(-c4cccc(F)c4)o3)n12,PSINSPPYGWLNGW-UHFFFAOYSA-N,3,1,0.36,62,574,415.388,3.055,5,0.478,0.83,0.998,0.18966314851620864,0.2568963744774176,0.3387533411006785,0.32343567952847646,0.2771871359056953
EOS-3-09681,OCc1ccc(-c2cncc3nnc(-c4cc(F)c(-c5ccc(F)nc5)c(F)c4)n23)nc1,PEDFQSZDANWEER-UHFFFAOYSA-N,3,1,0.338,45,680,434.381,3.825,5,0.433,0.75,1.0,0.42480810088410664,0.6788431224727571,0.9438352409019258,0.9376499211842917,0.7462840963607704
EOS-3-09682,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)c1,AFSFFBNBDNQUJK-UHFFFAOYSA-N,3,1,0.312,98,369,434.467,3.049,6,0.42,0.69,1.0,0.07846446439586047,0.027842505654170378,0.17483380165855664,0.1705846069494894,0.11293134466451922
EOS-3-09683,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cc(F)c(F)cc4F)n23)cc1,BFFWUBSMMSXGGK-UHFFFAOYSA-N,3,1,0.374,45,837,461.407,3.692,5,0.41,0.74,1.0,0.3314714550065109,0.37638784182030016,0.7882941539305051,0.7482180796381331,0.5610928825988623
EOS-3-09684,Cn1ncc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1COCc1cccc(F)c1,QQHUIGYEPCCZHQ-UHFFFAOYSA-N,3,1,0.416,62,124,457.469,3.147,5,0.402,0.73,1.0,0.27130594201905284,0.26733945582893565,0.5260263175930368,0.45722534439037765,0.38047426495785075
EOS-3-09685,Cc1ccc(-c2nnc3cncc(CCc4cnc(-c5ncc(F)cn5)c(F)c4)n23)cc1,GKGXPMPEIHAAHD-UHFFFAOYSA-N,3,1,0.402,14,580,429.434,4.015,5,0.42,0.78,1.0,0.5215886505380029,0.572313412377493,0.5089096018093345,0.5471352203413062,0.5374867212665342
EOS-3-09686,CC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,FZQJOMBBBRZHHN-UHFFFAOYSA-N,3,1,0.524,0,169,450.449,4.079,5,0.456,0.74,1.0,0.3112363785895415,0.38107394969501746,0.22231169899252964,0.3686090740867658,0.3208077753409636
EOS-3-09687,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4cccc(F)c4)n23)cc1,SRGBXCFSMSGRMN-UHFFFAOYSA-N,3,1,0.385,9,625,451.469,3.793,6,0.405,0.76,1.0,0.10951956685628127,0.2673480227537523,0.45325885820026046,0.4785998218079638,0.3271815674045645
EOS-3-09688,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nccs5)n4)n23)cc1,KMRBCDJITSEKSG-UHFFFAOYSA-N,3,1,0.528,89,268,443.492,3.248,5,0.429,0.69,1.0,0.4408282502912754,0.29344287574532246,0.19793879788910973,0.1040281680487972,0.2590595229936262
EOS-3-09689,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3cncc(-c4cscn4)c3)n12,GPMJOIDXNWTEIL-UHFFFAOYSA-N,3,1,0.357,14,357,427.493,3.308,5,0.461,0.68,1.0,0.11208964430128161,0.07721369337262696,0.3205143581659927,0.2332602289082311,0.18576948118703307
EOS-3-09690,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccccn6)n5)n34)cc2)nn1,FSTWDLFHEFZARD-UHFFFAOYSA-N,3,1,0.304,38,136,444.462,3.471,6,0.402,0.71,0.998,0.10712939483243095,0.09972757179082996,0.1586680145295045,0.16272016996778838,0.13206128778013845
EOS-3-09691,CCn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC)cc5)n34)ncn2)cn1,HXZXQPCPBXHTGK-UHFFFAOYSA-N,3,1,0.43,89,463,455.482,2.403,5,0.397,0.73,1.0,0.2713145089438695,0.15143752998423685,0.15541258309917072,0.05704715235419094,0.15880294359536698
EOS-3-09692,Cc1cc(COc2cncc3nnc(-c4cccc(-c5cc(=O)n(C)cn5)c4)n23)n(C)n1,LHQSXZKZBKFHCJ-UHFFFAOYSA-N,3,1,0.432,36,506,428.456,2.173,5,0.422,0.73,1.0,0.2089387293537112,0.11892605030498252,0.15867658145432115,0.09978754026454664,0.14658222534439036
EOS-3-09693,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)cn2)cn1,ANVZZAKMBUNPNE-UHFFFAOYSA-N,3,1,0.286,99,286,436.443,1.839,6,0.406,0.68,1.0,0.040418751285038725,0.04360564731683915,0.06842402851072579,0.060002741415941335,0.05311279213213625
EOS-3-09694,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)n5)n34)cc2)nn1,AQSRUOSEVBIJSN-UHFFFAOYSA-N,3,1,0.323,98,746,436.443,1.839,6,0.406,0.68,1.0,0.07847303132067714,0.07000890960180933,0.03819991775752176,0.04619285861147283,0.05821867932287026
EOS-3-09695,Fc1cncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cn2)c1,PZZSZNLRTPECQH-UHFFFAOYSA-N,3,1,0.282,86,780,449.413,2.696,6,0.395,0.69,1.0,0.3164279350284422,0.31342951134260844,0.30568501130834075,0.33953293125899525,0.31876884723459664
EOS-3-09696,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cc1,MQXMJRDZORJGBQ-UHFFFAOYSA-N,3,1,0.506,89,637,463.501,3.72,6,0.392,0.78,1.0,0.44083681721609214,0.15542971694880406,0.36871187718456583,0.3718645055170996,0.3342107292166404
EOS-3-09697,Fc1cncc(-c2cnc(-c3nnc4cncc(-c5ccc(-n6ccnc6)cc5)n34)cn2)c1,FYNLNZCVIAWKDW-UHFFFAOYSA-N,3,1,0.256,86,72,435.426,3.635,6,0.417,0.72,1.0,0.040427318209855394,0.06264992118429169,0.5918631348091289,0.6189860187786992,0.32848159824549383
EOS-3-09698,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)cn1,GQVODCJZSUXXTH-UHFFFAOYSA-N,3,1,0.304,39,114,435.426,3.635,6,0.417,0.72,0.818,0.0062624220409841684,0.09359365362209582,0.34225721335069564,0.4379583304776917,0.22001790487286682
EOS-3-09699,Cn1cncc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(C(=O)NC5COC5)cc4)n23)cn1,HBGHQBPCRGIWNC-UHFFFAOYSA-N,3,1,0.356,74,582,470.468,2.522,6,0.42,0.72,1.0,0.3060362552258241,0.252116030429717,0.402234253992187,0.33954149818381196,0.324982009457885
EOS-3-09700,N#Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nn1,QUQUPMRIBMRWFR-UHFFFAOYSA-N,3,1,0.523,4,32,441.842,3.142,5,0.404,0.7,1.0,0.7921064354739222,0.9332636556781577,0.4635820026043451,0.5306438900692207,0.6798989959564115
EOS-3-09701,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)ccc4Cl)n23)cc1,PBXUFVXBLWQWCS-UHFFFAOYSA-N,3,1,0.542,43,250,431.887,4.128,5,0.416,0.79,1.0,0.5448906860393393,0.6986070180248098,0.679776917277774,0.6624374614488383,0.6464280206976905
EOS-3-09702,OCc1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)nc4Cl)n23)cc1,GPBDEIBHPDKHCN-UHFFFAOYSA-N,3,1,0.397,83,3,431.858,4.805,5,0.413,0.91,1.0,0.4065348502501542,0.6209478445617161,0.9356709615516414,0.9487869234459598,0.7279851449523679
EOS-3-09703,N#Cc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)nn5)n34)nc2)c1,RRZIIVLTIXEASH-UHFFFAOYSA-N,3,1,0.257,50,489,421.384,1.071,5,0.442,0.71,0.988,0.13414947570420122,0.05481975190185731,0.07720512644781029,0.08978137207867863,0.08898893153313686
EOS-3-09704,N#CC1(c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccn2)CCOCC1,JLIAMRULJDLCPQ-UHFFFAOYSA-N,3,1,0.479,63,536,455.478,2.436,5,0.467,0.68,0.999,0.3457782194503461,0.1064269069974642,0.1462117058460695,0.19279007607429238,0.19780172709204302
EOS-3-09705,CCn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cc1,JHKAUQVJOAFQJV-UHFFFAOYSA-N,3,1,0.343,98,620,435.455,2.712,6,0.406,0.72,1.0,0.0072990199438009735,0.011933726269618259,0.10341991638681379,0.11048762936056473,0.058285072990199444
EOS-3-09706,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCOCC5)cn4)n23)nc1,CFDIHNMFHQDAGW-UHFFFAOYSA-N,3,1,0.353,63,686,484.52,1.537,6,0.437,0.81,0.999,0.04477931601672264,0.0007024878349667603,0.0013193064217668425,0.001961825783016928,0.012190734014118292
EOS-3-09707,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cc1=O,ACMQYKGFYCXIRB-UHFFFAOYSA-N,3,1,0.5,97,992,445.87,3.179,5,0.383,0.78,1.0,0.552660886848057,0.41887122198615584,0.5564646014666575,0.5340963607703378,0.5155232677678021
EOS-3-09708,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nc(C)n2)cn1,LUJMZJPMXSQPQR-UHFFFAOYSA-N,3,1,0.527,44,531,441.47,4.021,5,0.393,0.78,1.0,0.7251302172572134,0.6253769446919334,0.4739565485573299,0.4224179288602563,0.5617204098416833
EOS-3-09709,COC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)nc(OC5CCC5)n4)n23)nc1,BBWBZZWLAUFAIB-UHFFFAOYSA-N,3,1,0.272,63,108,418.417,2.065,5,0.444,0.82,0.326,0.25511445411555067,0.07722226029744363,0.0029384552121170583,0.0016534164896168872,0.08423214652868205
EOS-3-09710,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cccc(F)c5F)nc4)n23)n(C)n1,GVAUWQCOKGSFAM-UHFFFAOYSA-N,3,1,0.444,4,677,433.422,3.752,5,0.42,0.8,1.0,0.4864042903159482,0.5261805222397368,0.6548814337605373,0.6099479130971147,0.5693535398533343
EOS-3-09711,Cc1nc(C)nc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1,RCUHHEHQWBKMSK-UHFFFAOYSA-N,3,1,0.389,92,587,446.862,2.678,5,0.397,0.69,1.0,0.4839284490439312,0.62538551161675,0.07283599479130971,0.08266225755602769,0.31620305325200465
EOS-3-09712,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(CN)nn5)n34)c2)n1C,NQDHYNYKCKTNAW-UHFFFAOYSA-N,3,1,0.506,36,482,442.487,1.765,5,0.4,0.68,1.0,0.3481255568501131,0.13268453156055102,0.018350352957302446,0.014418134466451923,0.12839464395860462
EOS-3-09713,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)cn5)cn4)n23)cc1,KBJMUKGSSHNVRM-UHFFFAOYSA-N,3,1,0.398,74,261,413.376,1.943,5,0.472,0.82,1.0,0.1589250222740045,0.14747961071893634,0.25097662942910015,0.20694263587142758,0.19108097457336715
EOS-3-09714,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnnc5)cn4)n23)cc1F,HZRHNQAKHPSZSC-UHFFFAOYSA-N,3,1,0.357,50,736,413.376,1.943,5,0.472,0.82,1.0,0.17802069769035708,0.1710129531903228,0.3314628880816942,0.3113134809128915,0.24795250496881638
EOS-3-09715,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)c1,ZTNXFHLTQMPNHU-UHFFFAOYSA-N,3,1,0.318,39,449,448.425,3.301,6,0.4,0.7,1.0,0.2309128915084641,0.26735658967856896,0.3422657802755123,0.43195291618120757,0.3181220444109383
EOS-3-09716,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)cc1)N1CCCC1,SRIHPPPBTAWILL-UHFFFAOYSA-N,3,1,0.385,62,376,465.492,4.29,6,0.393,0.82,1.0,0.1669950654513056,0.10968233842779795,0.045815913919539444,0.18706737029675827,0.1273901720238503
EOS-3-09717,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)cc1,QQQWWKWGPZVKJS-UHFFFAOYSA-N,3,1,0.592,51,969,416.832,3.271,5,0.43,0.81,1.0,0.8438763621410459,0.944580563360976,0.412651634569255,0.4666232609142622,0.6669329552463847
EOS-3-09718,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)n1,CHTVZUPQQPNUMT-UHFFFAOYSA-N,3,1,0.299,30,748,452.869,3.544,6,0.399,0.73,0.839,0.016020149407168803,0.09973613871564663,0.1554211500239874,0.3426427249674457,0.15345504077856215
EOS-3-09719,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccnnc6)cn5)n34)cn2)c1,QFCJXXSQOBPLMW-UHFFFAOYSA-N,3,1,0.354,42,106,447.437,3.906,6,0.4,0.75,1.0,0.2309214584332808,0.35730073332876433,0.5696490987595093,0.6189945857035158,0.44421646905626755
EOS-3-09720,Cc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5C)n34)n2)c(F)c1,UQHHUZKSBNCFSM-UHFFFAOYSA-N,3,1,0.315,52,295,468.496,3.687,6,0.422,0.79,0.998,0.04753786580768967,0.18830100747035844,0.2013227331916935,0.2538037146186005,0.17274133027208555
EOS-3-09721,OCc1cc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nc4)n23)ccc1Cl,YSIRGXKWPFPBKK-UHFFFAOYSA-N,3,1,0.529,55,540,445.87,3.368,5,0.423,0.73,1.0,0.8368686176410116,0.8278390788842437,0.7113717360016448,0.6738571722294565,0.7624841511890891
EOS-3-09722,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cc4)n23)cc1,AVVGPCBTEFNWRR-UHFFFAOYSA-N,3,1,0.31,9,894,431.463,3.711,6,0.419,0.74,1.0,0.11209821122609828,0.07372695497224316,0.40924199849222126,0.42242649578507296,0.25437341511890893
EOS-3-09723,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nc2)c1,KMGUIXNTCZITSS-UHFFFAOYSA-N,3,1,0.303,70,723,431.463,3.711,6,0.419,0.74,1.0,0.12873517922006716,0.0772308272222603,0.4389349599067919,0.40010965663765335,0.26125265574669315
EOS-3-09724,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCCC6)cn5)n34)cn2)n1,FXVAJJFPALJWCW-UHFFFAOYSA-N,3,1,0.337,52,821,473.5,3.418,6,0.389,0.83,0.635,0.07248475087382633,0.04739222808580632,0.011265506133918168,0.050193612500856695,0.045334024398601874
EOS-3-09725,COc1cc(-c2nnc3cncc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)c(C)cn1,KAMDGXIBJVVYRU-UHFFFAOYSA-N,3,1,0.33,96,697,429.871,4.281,5,0.421,0.8,1.0,0.38249605921458435,0.4094390377630046,0.5564731683914742,0.5172195188815023,0.4664069460626414
EOS-3-09726,c1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccnnc6)nc5)n34)cc2)nc1,TUYSJXFGYHFWIU-UHFFFAOYSA-N,3,1,0.314,42,608,430.435,3.162,6,0.415,0.71,1.0,0.1589335891988212,0.15144609690905353,0.2985401960112398,0.2895449249537386,0.22461620176821329
EOS-3-09727,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cc2)n1,WKPGTYZPDMFRHM-UHFFFAOYSA-N,3,1,0.337,9,220,431.463,3.711,6,0.419,0.76,1.0,0.09469878692344597,0.08419573709821122,0.2985487629360565,0.35239188540881367,0.20745879309163184
EOS-3-09728,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cscn5)cn4)n23)cc1,RXYJYTAWDPZLLO-UHFFFAOYSA-N,3,1,0.384,52,916,467.558,3.987,6,0.389,0.82,1.0,0.15631211020492083,0.07373552189705983,0.10873140977314782,0.139855047632102,0.11965852237680762
EOS-3-09729,Cc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1ncc(F)cn1,HOSILTAWVUDWDH-UHFFFAOYSA-N,3,1,0.573,59,665,449.396,3.948,5,0.401,0.76,1.0,0.9143307518333219,0.8084692618737578,0.7543776985813172,0.737800699061065,0.8037446028373655
EOS-3-09730,Fc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,SVKUHZQUORNNAH-UHFFFAOYSA-N,3,1,0.479,72,132,447.861,4.057,5,0.387,0.77,1.0,0.8485025015420464,0.8349667603317114,0.5950157631416627,0.6710729216640394,0.737389486669865
EOS-3-09731,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cc1,STPSULWTJBLHLL-UHFFFAOYSA-N,3,1,0.578,63,536,469.332,4.007,5,0.411,0.79,1.0,0.7810208347611541,0.4895312178740319,0.33876190802549516,0.472842848331163,0.520539202247961
EOS-3-09732,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)cc1,SXBKUZDWLWJTHH-UHFFFAOYSA-N,3,1,0.343,74,333,412.417,1.403,5,0.469,0.84,1.0,0.18657905558220822,0.08740833390446165,0.06041395380714139,0.03525289562058803,0.09241355972859983
EOS-3-09733,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5F)cc4F)n23)cc1,NWYSURKMMBSOPU-UHFFFAOYSA-N,3,1,0.438,83,405,445.404,4.642,5,0.437,0.78,1.0,0.34813412377492975,0.44987492289767667,0.9566770612021109,0.9526591734630937,0.6768363203344527
EOS-3-09734,N#Cc1ccc(-c2cc(Cc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccn2)cn1,GHDPZETYTGWGGN-UHFFFAOYSA-N,3,1,0.5,14,319,455.428,4.312,5,0.376,0.82,1.0,0.6943149886916592,0.6887464875608251,0.929622712631074,0.8988417517647865,0.8028814851620861
EOS-3-09735,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)nc1,LXLFBRCQFGTQPD-UHFFFAOYSA-N,3,1,0.312,76,272,437.492,3.772,6,0.414,0.75,1.0,0.054065862517990546,0.0737440888218765,0.13735350558563497,0.16014152559797135,0.10632624563086834
EOS-3-09736,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4scnc4-c4ccccc4)n23)cc1,YYTUOCNCTGMIBK-UHFFFAOYSA-N,3,1,0.37,25,791,437.492,3.772,6,0.414,0.75,1.0,0.08493249263244466,0.1031800424919471,0.13115961894318415,0.20088582002604344,0.13003949352340483
EOS-3-09737,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cn4)n23)cn1,MFRWHDNVTOGJTP-UHFFFAOYSA-N,3,1,0.298,70,968,437.492,3.772,6,0.414,0.75,1.0,0.13169076828181756,0.11280069906106505,0.18437735590432458,0.21857651977246248,0.16186133575491743
EOS-3-09738,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1,VLAUIOZWMWOOPZ-UHFFFAOYSA-N,3,1,0.305,39,972,436.414,3.03,6,0.414,0.69,1.0,0.007307586868617641,0.09360222054691247,0.2839592899732712,0.3844321842231513,0.19232532040298816
EOS-3-09739,Fc1cc(-c2ccncc2)cc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)c1,MCLBDMDFWGFNFQ-UHFFFAOYSA-N,3,1,0.33,42,151,436.414,3.03,6,0.414,0.69,1.0,0.003718045370433829,0.0997447056404633,0.5225310122678364,0.5699061065040093,0.2989749674456857
EOS-3-09741,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)cn2)nn1C,RMKAFXKZWOEARF-UHFFFAOYSA-N,3,1,0.295,70,723,446.478,3.414,6,0.405,0.73,0.956,0.057535467068741006,0.05095606880954013,0.13408950723048454,0.13517750668220135,0.09443963744774175
EOS-3-09742,Cc1nc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n(C)n1,XXFMMDDXWCPFMI-UHFFFAOYSA-N,3,1,0.632,43,372,449.877,4.267,5,0.398,0.81,1.0,0.8459838256459461,0.8697313412377493,0.6283411006785005,0.6680830649030224,0.7530348331163045
EOS-3-09743,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nn1C,WIABZOYZOFIASS-UHFFFAOYSA-N,3,1,0.438,63,926,469.509,2.397,6,0.389,0.79,1.0,0.21712870947844562,0.08420430402302789,0.05836645877595778,0.04893427455280652,0.10215843670755945
EOS-3-09744,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5cncnc5-c5ccncc5)n34)n2)c1,HDFILDLPRJERLV-UHFFFAOYSA-N,3,1,0.298,10,952,437.402,2.425,6,0.409,0.68,0.93,0.007881570831334384,0.12236995408128298,0.14622027277088617,0.24484271126036597,0.1303286272359674
EOS-3-09745,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cc2)nn1,AAZTVEQPJCTHKQ-UHFFFAOYSA-N,3,1,0.33,3,289,420.44,2.834,6,0.432,0.77,1.0,0.01602871633198547,0.017373723528202316,0.15256836406003702,0.1844801590021246,0.09261274073058735
EOS-3-09746,N#Cc1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)ccc1Cl,MUCIJBWNRQFMLK-UHFFFAOYSA-N,3,1,0.404,68,455,415.766,3.716,4,0.506,0.78,1.0,0.49884346514974987,0.6935268316085258,0.9788996641765472,0.9638989788225618,0.7837922349393462
EOS-3-09748,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cccc(F)c5)c4)n23)cc1,XNNBBTJRERJUIV-UHFFFAOYSA-N,3,1,0.4,83,3,441.441,4.763,5,0.436,0.82,1.0,0.35947673223219795,0.36669008292783223,0.9169779316016723,0.9013261599616201,0.6361177266808307
EOS-3-09749,Cn1cncc1-c1nc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)ncc1F,KOAMUPIOQRUDJN-UHFFFAOYSA-N,3,1,0.33,50,155,433.382,2.026,5,0.459,0.6,0.887,0.25014563772188336,0.19253306832979233,0.28396785689808784,0.27769686793228704,0.2510858577205127
EOS-3-09750,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)cn4)n23)nc1,LVXGHFPZQCWJJK-UHFFFAOYSA-N,3,1,0.292,52,776,452.453,3.342,6,0.407,0.71,0.999,0.16165787129052156,0.17558769104242342,0.19794736481392639,0.27462990884791993,0.20245570899869783
EOS-3-09751,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)n2)o1,SGWUJLWKJSSCQU-UHFFFAOYSA-N,3,1,0.291,76,259,437.427,2.402,6,0.404,0.69,0.777,0.06845829620999246,0.05879480501679117,0.03041258309917072,0.027337057089986978,0.046250685353985334
EOS-3-09752,Cc1nc(-c2ccc(C(=O)O)cc2)cc(-c2nnc3cncc(Oc4ncccc4Cl)n23)n1,NEUYEUDEUKHIRM-UHFFFAOYSA-N,3,1,0.398,44,500,459.853,4.096,5,0.413,0.79,1.0,0.41319991775752174,0.19718490850524295,0.3650023987389487,0.2836166129806045,0.31475095949557946
EOS-3-09753,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)c1,UNJXUKVDZJJMCX-UHFFFAOYSA-N,3,1,0.257,39,527,433.439,2.594,6,0.412,0.73,0.952,0.009123774929751216,0.008584058666301145,0.02935885134672058,0.05150435199780687,0.024642759235144952
EOS-3-09754,Cc1nn(C)cc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)ncn1,HDNYJGVANSKCAI-UHFFFAOYSA-N,3,1,0.406,33,53,442.443,1.363,5,0.411,0.68,0.702,0.21713727640326227,0.0665050373517922,0.0564988691659242,0.01904427386745254,0.08979636419710779
EOS-3-09755,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)nc5)c4)n23)c(C)n1,CZRYSIKBNSILEU-UHFFFAOYSA-N,3,1,0.494,7,441,424.468,3.543,5,0.422,0.77,1.0,0.4201134260845727,0.22682646837091358,0.29479644986635595,0.16015009252278803,0.2754716092111576
EOS-3-09756,Cn1c(Cc2cncc3nnc(-c4ccc(Cl)cn4)n23)ccc1C(=O)NC1CCSC1,HRRYJWUCMQZTTH-UHFFFAOYSA-N,3,1,0.366,63,505,453.959,3.004,5,0.499,0.61,1.0,0.15356212733877048,0.12237852100609965,0.028245151120553764,0.0897899390034953,0.0984939346172298
EOS-3-09757,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)c[nH]1,FKNATSQRHBMJLM-UHFFFAOYSA-N,3,1,0.327,62,302,435.491,4.049,6,0.434,0.81,1.0,0.17802926461517374,0.027851072578987047,0.28030121307655403,0.3050681927215407,0.1978124357480639
EOS-3-09758,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nc(C)nn5C)cc(C(F)F)c4)n23)cc1,DUQFOCLAYGSPQH-UHFFFAOYSA-N,3,1,0.349,61,124,474.475,3.859,5,0.415,0.83,1.0,0.1896717154410253,0.13627407305873485,0.5763313001165101,0.4287831539990405,0.3327650606538277
EOS-3-09759,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)c2)n1,LPDSYFLCWBPWIM-UHFFFAOYSA-N,3,1,0.293,99,356,452.417,2.035,6,0.39,0.7,0.999,0.07848159824549379,0.1670721677746556,0.09122918237269549,0.16786889178260572,0.12616296004386265
EOS-3-09760,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,YFBFKZKNPODRAS-UHFFFAOYSA-N,3,1,0.289,42,171,432.451,3.106,6,0.418,0.71,1.0,0.07633130011651018,0.05880337194160784,0.35016448495648,0.3622781166472483,0.21189431841546158
EOS-3-09761,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)c2)cn1,DXXRAEVFGSMBRX-UHFFFAOYSA-N,3,1,0.279,94,967,432.451,3.106,6,0.418,0.71,1.0,0.05407442944280721,0.047400795010622984,0.442438832156809,0.39116578712905214,0.23376996093482283
EOS-3-09762,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,BIYNOMDEJFJLGG-UHFFFAOYSA-N,3,1,0.329,70,979,432.451,3.106,6,0.418,0.71,0.951,0.03332533753683778,0.04009320814200534,0.08889897882256186,0.12226715098348297,0.07114616887122198
EOS-3-09763,Cn1cccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)nn1,KVSXUQLTDFIYBV-UHFFFAOYSA-N,3,1,0.268,70,944,432.451,3.106,6,0.418,0.71,0.999,0.09707182509766295,0.03387362072510452,0.15542971694880406,0.18448872592694127,0.11771597217462819
EOS-3-09764,Cn1ncnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)n1,FHGINTQEDPXCGO-UHFFFAOYSA-N,3,1,0.34,76,387,432.451,3.106,6,0.418,0.71,1.0,0.043305804948255776,0.015848810910835447,0.11996264820779932,0.13986361455691865,0.0797452196559523
EOS-3-09765,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nc2)cc1=O,BRFDNWQQIJZDRD-UHFFFAOYSA-N,3,1,0.553,59,294,463.86,3.319,5,0.394,0.77,0.999,0.6884552121170585,0.5493883215680899,0.7012113631690768,0.69978925364951,0.6597110376259337
EOS-3-09766,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cc4F)n23)cc1,QZCOYCYCMGQTOY-UHFFFAOYSA-N,3,1,0.36,62,3,460.419,4.297,5,0.405,0.8,1.0,0.36866047563566584,0.44554005894044274,0.9236258652594065,0.8919282434377356,0.6574386608183127
EOS-3-09767,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)no1,QSXMXPYSYCETAP-UHFFFAOYSA-N,3,1,0.337,32,191,433.435,3.669,6,0.41,0.76,1.0,0.15089781372078678,0.14020629154958536,0.17484236858337332,0.17345452676307313,0.15985025015420465
EOS-3-09768,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cc1,KHBPDCSBTXKKKK-UHFFFAOYSA-N,3,1,0.356,74,997,415.392,1.933,5,0.446,0.81,1.0,0.01970392707833596,0.11563635117538208,0.29123260914262217,0.2303646083201974,0.1642343739291344
EOS-3-09769,Brc1cnc(Cc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,RQVAIZFUGXABCF-UHFFFAOYSA-N,3,1,0.446,14,774,443.308,4.602,5,0.406,0.82,1.0,0.3386419710780618,0.4048557329860873,0.5950243300664794,0.668091631827839,0.5016534164896168
EOS-3-09770,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cn4)n23)cc1,QVSSYWIJASGRGZ-UHFFFAOYSA-N,3,1,0.314,52,295,423.44,2.531,6,0.445,0.78,1.0,0.10713796175724762,0.05482831882667398,0.1172554999657323,0.15204578164622026,0.10781689054896854
EOS-3-09771,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C5(F)CCOCC5)nc4)n23)cc1,CTGRQWLZIWKEJL-UHFFFAOYSA-N,3,1,0.4,63,334,473.512,3.04,6,0.459,0.72,1.0,0.15090638064560347,0.0967377150298129,0.011274073058734837,0.05559934206017408,0.07862937769858132
EOS-3-09772,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ncc(-n5cccn5)cn4)n23)cn1,HETQWHOWVUAKBD-UHFFFAOYSA-N,3,1,0.523,51,69,439.361,2.76,5,0.411,0.7,1.0,0.45946987869234457,0.5080357754780344,0.7520988965800837,0.560114111438558,0.5699296655472551
EOS-3-09773,COc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,ILJOHIAMHAYVHH-UHFFFAOYSA-N,3,1,0.536,20,658,426.44,2.668,5,0.387,0.77,1.0,0.43848947981632513,0.17102152011513946,0.2509851963539168,0.16527311356315538,0.2564423274621342
EOS-3-09774,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cn2)nc1,FBFYIWZBZVOXKF-UHFFFAOYSA-N,3,1,0.314,32,664,435.426,3.635,6,0.417,0.73,0.999,0.020740524981152766,0.17103008703995615,0.47068398327736277,0.49388321568089916,0.28908445274484273
EOS-3-09775,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)nc1,NAJHCJYNLIUCCV-UHFFFAOYSA-N,3,1,0.5,24,912,434.822,3.41,5,0.414,0.7,1.0,0.6456291549585361,0.6495356726749366,0.5160115824823521,0.5601226783633747,0.5928247721197999
EOS-3-09776,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cc5)n34)n2)nn1,OICBNPADMUQORR-UHFFFAOYSA-N,3,1,0.284,98,882,435.455,2.444,6,0.414,0.68,1.0,0.04615002398738949,0.023233500102803097,0.11726406689054897,0.1154221780549654,0.07551744225892673
EOS-3-09777,CCc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4noc(C)n4)cn3)n12,QVKWPONTLREWDS-UHFFFAOYSA-N,3,1,0.333,74,333,426.44,2.873,5,0.453,0.7,0.986,0.10952813378109794,0.08741690082927832,0.11406003700911521,0.06146768555959153,0.09311818929477075
EOS-3-09778,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3nncnc3-c3cccc(F)c3)n12,VEMYFNRLKYOLCA-UHFFFAOYSA-N,3,1,0.324,8,356,451.429,2.64,6,0.398,0.71,1.0,0.05408299636762388,0.1710386539647728,0.07284456171612638,0.1705931738743061,0.11713984648070727
EOS-3-09779,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cc1=O,XONVKGVFQUUVSE-UHFFFAOYSA-N,3,1,0.462,72,506,446.858,2.574,5,0.404,0.73,1.0,0.417731820985539,0.38568295524638474,0.3130097320265917,0.3234442464532931,0.35996718867795213
EOS-3-09780,NC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5cnccc5F)cc4F)n23)cn1,NMRWRIQDYZJZBL-UHFFFAOYSA-N,3,1,0.419,85,290,444.405,2.611,5,0.442,0.63,1.0,0.2283685148379138,0.2365841957370982,0.4706925502021794,0.47570420121993007,0.35283736549928035
EOS-3-09781,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4nnco4)n23)cc1,LCQAKGNOUPGESS-UHFFFAOYSA-N,3,1,0.438,89,398,455.438,2.102,6,0.387,0.73,1.0,0.3212168460009595,0.10318860941676376,0.020072304845452676,0.02546090055513673,0.11748466520457818
EOS-3-09782,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cncnc4-n4cncn4)n23)cn1,GKVONMCFCSAPJQ-UHFFFAOYSA-N,3,1,0.333,94,615,436.414,3.03,6,0.414,0.7,1.0,0.03333390446165444,0.18391474196422453,0.3912857240764855,0.46663182783907886,0.26879154958536083
EOS-3-09783,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(C(F)(F)F)nc5)n34)c(F)c2)CC1,IMQZOWCRLIWTKZ-UHFFFAOYSA-N,3,1,0.404,66,264,470.43,4.217,5,0.442,0.83,0.999,0.3363888698512782,0.48953978479884863,0.8115447878829415,0.7686930299499691,0.6015416181207593
EOS-3-09784,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cn4)cc3)n12,PRYBNIMRHNWVMC-UHFFFAOYSA-N,3,1,0.344,8,474,449.453,3.85,6,0.403,0.75,1.0,0.20606880954012746,0.29833458981563976,0.32768487423754367,0.4255362894935234,0.3144061407717086
EOS-3-09785,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(C)nn5)cn4)n23)nc1,FIKFRVOAFKWOTC-UHFFFAOYSA-N,3,1,0.394,33,53,454.454,1.68,5,0.402,0.68,1.0,0.34578678637516275,0.12596806250428347,0.07502056061956,0.027345624014803647,0.14353025837845246
EOS-3-09786,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnc(C)nn5)c4)n23)nc1,IAMLXGUATXFDPF-UHFFFAOYSA-N,3,1,0.384,33,760,454.454,1.68,5,0.402,0.68,1.0,0.382504626139401,0.10643547392228085,0.07285312864094305,0.02917037900075389,0.14774090192584471
EOS-3-09787,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)nc2)nc1,BMFPTWQCUQXVLG-UHFFFAOYSA-N,3,1,0.293,76,387,433.439,2.799,6,0.445,0.68,0.991,0.057544033993557675,0.09041532451511206,0.13116818586800083,0.14204818038516895,0.10529393119045988
EOS-3-09788,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)cc2)n1,SAXOLHVOEXSSCZ-UHFFFAOYSA-N,3,1,0.286,98,615,433.439,2.501,6,0.412,0.71,1.0,0.13169933520663424,0.08070899869782742,0.09123774929751216,0.11772668083064904,0.10534319100815571
EOS-3-09789,Fc1ccc(COc2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cc2)cc1,QFKFXWUVWBFKGF-UHFFFAOYSA-N,3,1,0.671,1,397,428.427,3.878,5,0.389,0.8,1.0,0.8138835583578918,0.8640943047083819,0.7683075183332191,0.7137533411006785,0.7900096806250428
EOS-3-09790,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cc(-c5ccncc5)ncn4)n23)nc1,CDZCVMWYMUKKJU-UHFFFAOYSA-N,3,1,0.284,94,892,430.435,3.162,6,0.415,0.72,1.0,0.08722842848331162,0.07375265574669317,0.2367212665341649,0.2660201494071688,0.16593062504283462
EOS-3-09791,c1cc(-c2cncnc2)nc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)c1,STIAEBZSJGKSSE-UHFFFAOYSA-N,3,1,0.278,94,165,430.435,3.162,6,0.415,0.72,0.892,0.03732609142622164,0.08421287094784456,0.3461465972174628,0.34587245562332947,0.20338950380371462
EOS-3-09792,COc1nc(-c2cnc(F)cn2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,GCTPVQIVKMADSQ-UHFFFAOYSA-N,3,1,0.346,74,155,460.404,2.696,5,0.423,0.66,0.999,0.45027756836406,0.39037763004591874,0.467325748749229,0.3686176410115825,0.4191496470426976
EOS-3-09793,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccncc5)nc4)n23)cc1,MRSDSWARRGIETR-UHFFFAOYSA-N,3,1,0.31,32,543,447.437,3.906,6,0.4,0.73,1.0,0.19785312864094304,0.272488177643753,0.4945685696662326,0.5918288671098623,0.3891846857651977
EOS-3-09794,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)c4)n23)cc1,MTYJBDFXDJOIRP-UHFFFAOYSA-N,3,1,0.369,62,3,424.439,4.019,5,0.441,0.76,1.0,0.284738880131588,0.22683503529573024,0.7661058186553354,0.6969878692344595,0.49366690082927833
EOS-3-09795,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)cnn4)n23)cc1,HADVGYDYRGMYES-UHFFFAOYSA-N,3,1,0.457,36,926,443.431,0.71,5,0.397,0.74,1.0,0.352434720032897,0.17559625796724007,0.02936741827153725,0.010143238982934686,0.14188540881365225
EOS-3-09796,COCc1ncc(-c2nnc3cncc(Cc4ccnc(-c5cncnn5)c4)n23)cc1F,ULSZFCPXKBMZTE-UHFFFAOYSA-N,3,1,0.321,85,60,429.419,2.31,5,0.401,0.72,1.0,0.4065434171749709,0.3618069357823316,0.29855732986087313,0.28056678774587074,0.3368686176410116
EOS-3-09797,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,AVXQFSXZPHNZQZ-UHFFFAOYSA-N,3,1,0.284,94,170,429.447,3.767,6,0.417,0.77,0.848,0.08723699540812829,0.070017476526626,0.4092505654170379,0.46028373654992805,0.2566971934754301
EOS-3-09798,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)s1,JUBWDWIOIJKFJN-UHFFFAOYSA-N,3,1,0.628,43,389,435.9,4.246,5,0.407,0.79,1.0,0.8620125419779316,0.8781526283325337,0.3314714550065109,0.39694846138030293,0.6171462716743198
EOS-3-09799,Cn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)n1,ISJAJJHOMNRIJK-UHFFFAOYSA-N,3,1,0.689,43,372,435.85,3.958,5,0.415,0.77,1.0,0.9436125008566925,0.9445891302857926,0.7864351312452882,0.8053937358645741,0.8700076245630868
EOS-3-09800,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5nnc(C)o5)c4)n23)cc1,GCOWXZXKSGPZQS-UHFFFAOYSA-N,3,1,0.343,74,124,412.413,2.571,5,0.478,0.87,1.0,0.194991775752176,0.03388218764992119,0.14042046467000205,0.07746213419231032,0.11168914056610238
EOS-3-09801,CC(C)(CO)c1ncc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,NIMDXAQDHYHLJN-UHFFFAOYSA-N,3,1,0.299,82,514,424.468,2.975,5,0.458,0.76,1.0,0.17507367555342335,0.1630799808100884,0.26174525392365156,0.16015865944760468,0.19001439243369198
EOS-3-09802,Fc1cnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)c2)nc1,ARCZPDJBWRSPCF-UHFFFAOYSA-N,3,1,0.316,42,106,437.398,3.499,6,0.408,0.71,1.0,0.35244328695771365,0.3375625385511617,0.4350969775889247,0.4602923034747447,0.39634877664313617
EOS-3-09803,Clc1cccc(-c2ncc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cn2)c1,BZBVJQYLMRUSKN-UHFFFAOYSA-N,3,1,0.381,10,620,452.869,3.544,6,0.399,0.74,1.0,0.00215029812898362,0.11564491810019875,0.33148002193132753,0.4508258515523268,0.2250252724282092
EOS-3-09804,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccnn6)c5)n34)cc2)nn1,QDOYYZFCVURLKZ-UHFFFAOYSA-N,3,1,0.301,3,150,452.869,3.544,6,0.399,0.74,0.93,0.012833253375368378,0.15145466383387018,0.40594373243780413,0.47285141525597973,0.2607707662257556
EOS-3-09805,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ncc(-c5nnco5)cc4F)n23)cc1,HOGXPCIQRDXBED-UHFFFAOYSA-N,3,1,0.396,67,622,456.401,2.963,6,0.381,0.75,1.0,0.49139024055924885,0.4323212939483243,0.23672983345898158,0.20089438695086012,0.3403339387293537
EOS-3-09806,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)cnc4F)n23)nc1,GPRXCQFELORWBM-UHFFFAOYSA-N,3,1,0.324,50,432,445.393,2.343,5,0.418,0.66,1.0,0.2633044342402851,0.22684360222054692,0.3276934411623604,0.27463847577273665,0.27311998834898227
EOS-3-09807,CNC(=O)c1ccc(-c2nnc3cncc(-c4csc(-c5ccsc5)n4)n23)cc1,UWRKEQCQQFJILJ-UHFFFAOYSA-N,3,1,0.354,74,139,418.507,4.003,5,0.477,0.82,1.0,0.12027962442601604,0.07723939414707696,0.2332859296826811,0.17603317113289013,0.15170952984716607
EOS-3-09808,CC(O)Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cc2)n1,ALJCSPKPUWPMJG-UHFFFAOYSA-N,3,1,0.315,50,856,433.863,2.541,5,0.449,0.67,1.0,0.19500034267699268,0.30332054005894044,0.17485093550818998,0.19517168117332603,0.2170858748543623
EOS-3-09810,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)nc2)n1C,ZUKUOUWTWIUVQS-UHFFFAOYSA-N,3,1,0.352,98,945,446.478,3.414,6,0.405,0.71,1.0,0.08724556233294496,0.07002604345144267,0.08640600370091152,0.09979610718936331,0.08586842916866562
EOS-3-09811,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(C(F)(F)F)nn5)n34)nc2)nc1,FKTTUISBVLDPFL-UHFFFAOYSA-N,3,1,0.294,50,243,446.356,2.991,5,0.41,0.68,1.0,0.22837708176273044,0.33757110547597835,0.7425039407854157,0.6422709204304023,0.48768076211363176
EOS-3-09812,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3)n12,OKHUJKHRAZAXIB-UHFFFAOYSA-N,3,1,0.333,64,854,449.453,3.85,6,0.403,0.77,1.0,0.12575388938386678,0.25212459735453363,0.17799499691590706,0.32668254403399355,0.22063900692207525
EOS-3-09813,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccncn5)c4)n23)cn1,SDLYYHRGOYPLFC-UHFFFAOYSA-N,3,1,0.25,86,953,437.402,2.425,6,0.382,0.74,0.443,0.004506202453567268,0.06651360427660886,0.2120228222877116,0.2568792406277843,0.134980467411418
EOS-3-09814,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ncns5)s4)n23)cc1,RTWZSLGEXXYINF-UHFFFAOYSA-N,3,1,0.446,89,926,451.497,2.1,5,0.412,0.71,1.0,0.3959375642519361,0.24198135837159893,0.011282639983551505,0.004386265506133918,0.16339695702830512
EOS-3-09815,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cn[nH]c5)n4)n23)cc1,ZTXUGYSATGRODX-UHFFFAOYSA-N,3,1,0.349,52,423,440.442,3.275,6,0.434,0.76,1.0,0.16166643821533822,0.2214464395860462,0.27661743540538686,0.34913645397847987,0.2522166917963128
EOS-3-09816,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncn5C)n4)n23)cn1,LVKFZRIHMWMXQG-UHFFFAOYSA-N,3,1,0.384,85,290,443.446,2.071,5,0.442,0.65,1.0,0.18968028236584195,0.23659276266191487,0.14331608525803577,0.0957011171269961,0.1663225618531972
EOS-3-09818,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncc(-c5cccnc5)cn4)n23)c1,AXIMSAGIHYPOCG-UHFFFAOYSA-N,3,1,0.341,64,449,447.437,3.906,6,0.4,0.76,1.0,0.252681447467617,0.27249674456856965,0.372729764923583,0.4786083887327805,0.34412908642313755
EOS-3-09819,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)n[nH]1,SWXHNKRQVHSGCI-UHFFFAOYSA-N,3,1,0.46,51,196,437.826,3.046,5,0.445,0.73,1.0,0.795002056061956,0.7175656226440956,0.2985658967856898,0.3364317044753615,0.5368913199917758
EOS-3-09820,Clc1ccc(-c2nnc3cncc(OCc4nncnc4-c4cnccn4)n23)cc1Cl,GFQWGDKAVJKOAM-UHFFFAOYSA-N,3,1,0.517,73,540,452.265,3.319,5,0.396,0.72,1.0,0.6255482831882667,0.8752827085189501,0.3766619834144336,0.5306524569940374,0.602036358028922
EOS-3-09821,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cnn2)n1,ABOCXEACGZCSRO-UHFFFAOYSA-N,3,1,0.63,36,571,452.385,1.952,5,0.361,0.79,1.0,0.539536358028922,0.539793365773422,0.32770200808717703,0.30507675964635733,0.42802712288396955
EOS-3-09822,CONC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cn(C)nc5C)cc(C#N)n4)n23)cc1,ZKSGAAQEWZPXSG-UHFFFAOYSA-N,3,1,0.322,74,124,465.477,2.725,5,0.391,0.75,1.0,0.192413131382359,0.07724796107189363,0.40224282091700364,0.22739188540881367,0.2248239496950175
EOS-3-09823,N#Cc1ccc(OCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,GEKSZZQZIBJVJD-UHFFFAOYSA-N,3,1,0.33,63,108,412.413,1.924,5,0.508,0.79,1.0,0.3034404770063738,0.15924199849222123,0.1087399766979645,0.12009115208004935,0.17287840106915223
EOS-3-09824,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)no4)n23)cn1,XPPOUCXWHTXGQI-UHFFFAOYSA-N,3,1,0.38,98,314,456.857,3.352,6,0.392,0.76,0.999,0.2901874443149887,0.4188797889109725,0.13736207251045165,0.22420498937701322,0.2676585737783565
EOS-3-09826,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(-c5ncc[nH]5)ccc4F)n23)c(F)c1,DPLHLZQTBLSKCY-UHFFFAOYSA-N,3,1,0.301,25,219,456.42,3.317,6,0.433,0.72,0.877,0.19242169830717565,0.337579672400795,0.522539579192653,0.6005928311973134,0.4132834452744843
EOS-3-09827,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)nn1,HRWMNJDTOBYBRS-UHFFFAOYSA-N,3,1,0.545,15,619,432.875,3.257,5,0.406,0.75,1.0,0.48641285724076483,0.5631639366732918,0.4022513878418203,0.4319614831060243,0.4709474162154753
EOS-3-09828,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)nc1,LPYWJKDNECTMJL-UHFFFAOYSA-N,3,1,0.282,99,866,454.433,1.978,6,0.392,0.68,1.0,0.14778802001233637,0.27250531149338636,0.10074703584401343,0.1398721814817353,0.16522813720786786
EOS-3-09830,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)cc1F,FPXPYZNCZWCWSX-UHFFFAOYSA-N,3,1,0.318,98,765,454.433,1.978,6,0.392,0.68,1.0,0.247421355630183,0.3425484887944623,0.1007556027688301,0.13754197793160167,0.20706685628126925
EOS-3-09831,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cccnc5F)c4)n23)nc1,CSFZFDMPSVJEAC-UHFFFAOYSA-N,3,1,0.417,14,358,459.872,3.731,5,0.401,0.78,0.949,0.21174011376876156,0.26736515660338567,0.6905112740730588,0.7025906380645603,0.4680517956274416
EOS-3-09832,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5csc(C)n5)nc4)n23)cn1,UELAZCMXDPQGIP-UHFFFAOYSA-N,3,1,0.517,65,981,430.497,3.338,5,0.404,0.8,0.971,0.5632667397710918,0.49426016037283255,0.10076416969364677,0.06297546432732506,0.305316633541224
EOS-3-09833,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)c1,HUCSAOFBUDKHMZ-UHFFFAOYSA-N,3,1,0.337,3,289,435.426,3.635,6,0.417,0.69,1.0,0.04615859091220616,0.18392330888904118,0.4126602014940717,0.4728599821807964,0.27890052086902883
EOS-3-09834,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cn5)n34)c(F)c2)cn1,AQOCWQSOJFZVBO-UHFFFAOYSA-N,3,1,0.299,70,572,450.441,3.543,6,0.433,0.7,0.999,0.20894729627852787,0.347483037488863,0.4945771365910493,0.4757127681447468,0.3816800596257967
EOS-3-09835,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4Cl)n23)cc1,BHLCUAPZRVFHRU-UHFFFAOYSA-N,3,1,0.342,25,508,469.9,3.098,6,0.386,0.76,1.0,0.18658762250702488,0.2880799808100884,0.20842471386471112,0.2895534918785553,0.24316145226509492
EOS-3-09837,Cc1cncc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nc(C)n2)n1,PJDHQVUVIFVPTD-UHFFFAOYSA-N,3,1,0.548,4,32,428.431,3.373,5,0.42,0.72,1.0,0.7950106229867727,0.8005105887190734,0.3130182989514084,0.28362517990542113,0.5480411726406689
EOS-3-09838,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ccn4)n23)cc1,FTXWZYNNYBTKAC-UHFFFAOYSA-N,3,1,0.5,89,398,472.896,3.235,5,0.4,0.76,0.999,0.5422349393461723,0.45439825920087723,0.4164896168871222,0.3143718730724419,0.4318736721266534
EOS-3-09839,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccnc6)n5)n34)cc2)n1C,SNBIXOPJSDKVLB-UHFFFAOYSA-N,3,1,0.284,8,725,434.467,3.143,6,0.42,0.68,1.0,0.03597251730518813,0.04010177506682201,0.17485950243300666,0.15460729216640395,0.10138527174285518
EOS-3-09840,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccnnc5-c5ccccn5)n34)cn2)cc1,TXIVUVKICABHGS-UHFFFAOYSA-N,3,1,0.327,10,673,435.426,3.635,6,0.417,0.7,0.943,0.013664245082585156,0.15146323075868687,0.4707011171269961,0.5503649509971901,0.29654838599136457
EOS-3-09841,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)cc1,WSNJSGYZWGFKSG-UHFFFAOYSA-N,3,1,0.322,3,39,437.442,3.579,6,0.419,0.72,1.0,0.030798094715920772,0.16708073469947227,0.532699952025221,0.5667020766225755,0.3243202145157974
EOS-3-09842,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cn1,YFDVESNUQAPLDC-UHFFFAOYSA-N,3,1,0.511,24,786,433.834,4.015,5,0.386,0.83,1.0,0.7189534644643959,0.8005191556438901,0.6310996504694675,0.6738657391542732,0.7061095024330066
EOS-3-09843,Cc1nn(C)c(-c2cc(F)c(F)cn2)c1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,VDPGYVYGAYLMPL-UHFFFAOYSA-N,3,1,0.341,50,974,447.409,2.334,5,0.447,0.63,1.0,0.11210677815091495,0.18393187581385786,0.19085395106572545,0.1951802480981427,0.17051821328216024
EOS-3-09844,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnn(C)n5)nc4)n23)c(Cl)c1,HFELGXBXOOGZCR-UHFFFAOYSA-N,3,1,0.5,36,258,433.863,2.918,5,0.416,0.71,1.0,0.4571568089918443,0.5261890891645535,0.2187307244191625,0.2538122815434172,0.3639722260297444
EOS-3-09845,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4cn(C)c(C)n4)cc3Cl)n12,OZGCHLHQUIOAOQ-UHFFFAOYSA-N,3,1,0.36,61,124,457.925,4.228,5,0.435,0.77,1.0,0.2501542046467,0.24708724556233294,0.5428774587074224,0.4572339113151943,0.3743382050579125
EOS-3-09846,NC(=O)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(C(F)F)nn5)n4)n23)cc1,RFAAKJYVHSWRST-UHFFFAOYSA-N,3,1,0.36,61,542,435.358,1.26,5,0.429,0.66,0.998,0.035981084230004796,0.09975327256527997,0.10874854362278116,0.09570968405181277,0.08504814611746966
EOS-3-09847,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccc(F)cc4)n23)c(F)c1,COOTUMVITDTFFR-UHFFFAOYSA-N,3,1,0.313,25,219,468.431,3.384,6,0.387,0.77,0.971,0.22247447056404632,0.357309300253581,0.4810842300047975,0.594827290795696,0.4139238229045302
EOS-3-09848,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)nn1,QAZFEBRIBSUZOH-UHFFFAOYSA-N,3,1,0.512,16,256,430.859,3.579,5,0.416,0.71,1.0,0.6060927969296142,0.6164587759577822,0.3987646494414365,0.4192310328284559,0.5101368137893222
EOS-3-09849,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)nn1,OEVBEDGKXWFDIG-UHFFFAOYSA-N,3,1,0.612,16,32,430.859,3.579,5,0.416,0.71,1.0,0.8530858063189637,0.917680419436639,0.36131005414296485,0.4129172092385717,0.6362483722842848
EOS-3-09851,Cc1cc(F)cc(-c2cc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)ccn2)c1,SIAMQBSNKRPVDI-UHFFFAOYSA-N,3,1,0.523,75,43,427.443,3.978,5,0.419,0.78,1.0,0.529555890617504,0.4895483517236653,0.5855664450688781,0.5070248783496676,0.5279238914399288
EOS-3-09852,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5Cl)n4)n23)cc1,HWJDRXDKTNGCAA-UHFFFAOYSA-N,3,1,0.359,62,302,468.908,3.856,6,0.417,0.76,1.0,0.1810448221506408,0.26223356863820163,0.20133130011651018,0.37836680145295043,0.2557441230895758
EOS-3-09853,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccncc4-c4ccccc4)n23)n1,PFHLJVBWUQZYSH-UHFFFAOYSA-N,3,1,0.295,30,746,432.451,3.106,6,0.418,0.72,0.999,0.08072613254746076,0.03389075457473785,0.119971215132616,0.19796449866355972,0.10813815022959358
EOS-3-09854,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cn1,UEMRJEXPCVIZJN-UHFFFAOYSA-N,3,1,0.295,70,392,432.451,3.106,6,0.418,0.72,1.0,0.08073469947227743,0.04740936193543965,0.18438592282914126,0.17604173805770681,0.12214293057364128
EOS-3-09855,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ncccn6)c5)n34)cc2)nn1,GIYKMFQFMYQXJG-UHFFFAOYSA-N,3,1,0.316,42,608,432.451,3.106,6,0.418,0.72,1.0,0.05239531217874032,0.027859639503803716,0.2438575149064492,0.23326879583304777,0.13934531560551025
EOS-3-09856,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncs5)cn4)n23)cn1,HVOQEOREOYRGJV-UHFFFAOYSA-N,3,1,0.446,7,535,445.468,2.038,5,0.417,0.69,1.0,0.43154170379000756,0.28808854773490505,0.062452881913508326,0.026309026111986843,0.20209803988760194
EOS-3-09857,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cn5)n34)cc2)nn1,ZGOHZHMONWIGRE-UHFFFAOYSA-N,3,1,0.309,38,42,450.441,3.245,6,0.402,0.72,1.0,0.17233225961208964,0.20649715578096087,0.34227434720032895,0.34265129189226234,0.26593876362141045
EOS-3-09858,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cn5)n34)cn2)n1,NBEAVFZJHFLEEK-UHFFFAOYSA-N,3,1,0.346,70,179,450.441,3.245,6,0.402,0.72,1.0,0.08725412925776163,0.21628915084641218,0.29480501679117266,0.37837536837776714,0.24418091631827837
EOS-3-09859,Cn1nccc1-c1ncc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)c4)n23)cn1,BMTNDFSPXDOHBE-UHFFFAOYSA-N,3,1,0.316,42,106,450.441,3.245,6,0.402,0.72,1.0,0.18659618943184156,0.1883095743951751,0.26525769309848535,0.2805753546706874,0.23018470289904736
EOS-3-09860,COC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5)ncn4)n23)nc1,XKXZNRWMWHADDJ-UHFFFAOYSA-N,3,1,0.408,33,53,440.423,2.404,5,0.363,0.77,0.987,0.3893410321431019,0.1437101637996025,0.18439448975395792,0.0917603317113289,0.2023015043519978
EOS-3-09861,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,LWXQDQYYIJHLOT-UHFFFAOYSA-N,3,1,0.354,25,508,466.896,3.759,6,0.386,0.8,1.0,0.20895586320334453,0.3763964087451169,0.34228291412514567,0.4413679665547255,0.34225078815708315
EOS-3-09862,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ncn2)nn1,YXAQPPLTJUDWIL-UHFFFAOYSA-N,3,1,0.495,44,481,428.431,3.107,5,0.406,0.74,1.0,0.6823384277979576,0.5352528956205881,0.3501730518812967,0.3458810225481461,0.47841134946199715
EOS-3-09864,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)cn1,NXHCICQPKJKAEW-UHFFFAOYSA-N,3,1,0.289,38,725,431.463,3.711,6,0.419,0.73,1.0,0.05755260091837434,0.05483688575149064,0.49129600438626553,0.4540555822082105,0.2644352683160852
EOS-3-09865,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccc(C#N)nc5)c4)n23)nc1,BFDPELCJGPYERB-UHFFFAOYSA-N,3,1,0.441,97,348,437.438,4.147,5,0.407,0.78,1.0,0.7810294016859708,0.7453738605989993,0.8368172160921116,0.7851672263724213,0.7870969261873757
EOS-3-09866,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)nc1,WUAAYPAZYIFZOI-UHFFFAOYSA-N,3,1,0.302,32,339,443.474,4.076,6,0.401,0.76,1.0,0.09708039202247962,0.04011034199163868,0.43510554451374134,0.4224350627098897,0.2486828353094373
EOS-3-09867,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)cc1,ULCFTPNUEHLJBY-UHFFFAOYSA-N,3,1,0.316,42,369,433.479,3.654,6,0.421,0.72,1.0,0.1723408265369063,0.07376122267150984,0.30207833596052364,0.26877869919813585,0.20423977109176888
EOS-3-09868,Clc1cnc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)nc1,ITJRMQIGLNZRHG-UHFFFAOYSA-N,3,1,0.265,94,195,452.869,3.544,6,0.399,0.72,0.389,0.03733465835103831,0.09976183949009663,0.24030224110753204,0.3587828113220478,0.1840453875676787
EOS-3-09869,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cn1,ZQUQQQZBFMLRIP-UHFFFAOYSA-N,3,1,0.315,30,945,430.475,4.316,6,0.414,0.8,1.0,0.11788088547734905,0.05484545267630731,0.5160201494071688,0.5102974436296347,0.299760982797615
EOS-3-09870,Cc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)nc2)nn1,UOWCQGNRDOUKNK-UHFFFAOYSA-N,3,1,0.483,4,205,439.439,2.025,5,0.419,0.68,1.0,0.3524518538825303,0.17560482489205675,0.11997978205743266,0.060011308340758004,0.17701194229319442
EOS-3-09871,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnc(F)cn5)c4)n23)nc1,WTXDAURVAGOVTM-UHFFFAOYSA-N,3,1,0.384,33,53,457.429,2.116,5,0.407,0.68,1.0,0.560319717634158,0.3082807895277911,0.25099376327873346,0.15205434857103695,0.3179121547529299
EOS-3-09872,CCn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)c1C,YXXCJVVUOSQRFI-UHFFFAOYSA-N,3,1,0.551,87,579,426.484,3.395,5,0.393,0.81,1.0,0.34331951202796246,0.24709581248714962,0.09124631622232883,0.06468028236584196,0.1865854807758207
EOS-3-09873,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ncccn5)n4)n23)cc1,LZURQFOXZYLZRU-UHFFFAOYSA-N,3,1,0.315,3,973,432.451,3.199,6,0.417,0.69,1.0,0.02392742101295319,0.07003461037625934,0.09823692687272977,0.15745151120553766,0.08741261736686998
EOS-3-09874,Fc1ccc(-c2nnc3cncc(Cc4cnc(-c5cnc(Cl)nn5)cn4)n23)cc1F,YDMYBQSEXTYDAG-UHFFFAOYSA-N,3,1,0.393,85,674,437.801,2.956,5,0.422,0.66,1.0,0.4713436364882462,0.6253940785415667,0.5260348845178535,0.6304314303337674,0.5633010074703584
EOS-3-09875,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)n1,IJNWOGOZWXTTMG-UHFFFAOYSA-N,3,1,0.27,86,601,434.427,1.896,6,0.404,0.69,0.987,0.04616715783702282,0.011942293194434926,0.019232746213419232,0.03006990610650401,0.026853025837845247
EOS-3-09876,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)nc2)nc1,CRXNXBQWFAYBPX-UHFFFAOYSA-N,3,1,0.272,25,213,446.478,3.414,6,0.405,0.72,1.0,0.02955589061750394,0.04011890891645535,0.19795593173874307,0.21595504077856212,0.12089644301281613
EOS-3-09877,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)cc2)n(C)n1,JTAKHUYPODGHDH-UHFFFAOYSA-N,3,1,0.342,38,818,445.49,4.019,6,0.404,0.77,1.0,0.057561167843191006,0.04361421424165581,0.2912411760674388,0.28640943047083817,0.16970649715578096
EOS-3-09878,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cn1,RHMZUOCFSCRMEH-UHFFFAOYSA-N,3,1,0.5,90,555,412.812,2.917,4,0.541,0.79,1.0,0.7893307518333219,0.6690939620313893,0.6136316907682818,0.569914673428826,0.6604927695154548
EOS-3-09879,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)ccn2)no1,IBFGCQPWEQYSTD-UHFFFAOYSA-N,3,1,0.304,38,339,433.435,3.669,6,0.41,0.75,1.0,0.2033273935987938,0.14371873072441915,0.23673840038379823,0.24485127818518265,0.20715895072304846
EOS-3-09880,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cncc(-c5nn[nH]n5)c4)n23)nc1,BDQZSFXUSPKFJL-UHFFFAOYSA-N,3,1,0.242,86,953,438.39,2.024,6,0.433,0.65,0.931,0.21426735658967858,0.2521331642793503,0.1282468645055171,0.1979730655883764,0.1981551127407306
EOS-3-09881,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnn(C)c5)cn4)n23)cc1,JVMVKBKERNZUTO-UHFFFAOYSA-N,3,1,0.354,74,453,411.429,2.008,5,0.481,0.87,1.0,0.09231718182441231,0.027868206428620382,0.1809934206017408,0.09371359056952916,0.09872309985607566
EOS-3-09882,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)nn1,QFWWPTPKRGNYPE-UHFFFAOYSA-N,3,1,0.323,30,945,431.463,3.711,6,0.419,0.77,0.998,0.04754643273250634,0.03069529161812076,0.3422914810499623,0.3655164142279487,0.19651240490713454
EOS-3-09883,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)c2)nn1,DPPMAALLQQVFFN-UHFFFAOYSA-N,3,1,0.542,4,32,436.838,3.353,5,0.417,0.73,1.0,0.5744465766568433,0.745382427523816,0.559497292851758,0.6131690768281818,0.6231238434651497
EOS-3-09884,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5c[nH]nn5)ccn4)n23)cc1,RQKSNYUSUHNFDE-UHFFFAOYSA-N,3,1,0.484,89,926,427.428,1.91,5,0.419,0.75,0.923,0.42720683983277363,0.21629771777122883,0.2367469673086149,0.12457165375916661,0.251205794667946
EOS-3-09885,Cc1ocnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nncn5C)n4)n23)cc1,YOYMJHNTNJUERV-UHFFFAOYSA-N,3,1,0.295,38,193,435.451,3.612,6,0.413,0.74,1.0,0.13948666986498526,0.08742546775409499,0.1618549105613049,0.1546158590912206,0.13584572681790144
EOS-3-09886,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)nc1,IUSOKUFABYIOPH-UHFFFAOYSA-N,3,1,0.329,98,765,453.445,2.583,6,0.4,0.68,1.0,0.21427592351449523,0.33256802138304437,0.19446919333835927,0.21307655404016174,0.23859742306901516
EOS-3-09887,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cc1F,IUFRVGHDGWICQX-UHFFFAOYSA-N,3,1,0.329,25,745,453.445,2.583,6,0.4,0.68,1.0,0.24192138989788226,0.34749160441367966,0.204972243163594,0.25975772736618463,0.26353574121033513
EOS-3-09888,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ncn4)n23)nc1,UQWREHGVKDOEDE-UHFFFAOYSA-N,3,1,0.369,33,53,458.417,1.511,5,0.397,0.67,0.943,0.4408453841409088,0.2673737235282023,0.1340980741553012,0.07362415187444316,0.22898533342471386
EOS-3-09889,CNC(=O)c1ccc(-c2nnc3cncc(COCc4csc(COC)n4)n23)cn1,VTHHHGBNMMFWCQ-UHFFFAOYSA-N,3,1,0.389,63,5,425.474,1.866,4,0.455,0.72,1.0,0.21428449043931191,0.10644404084709752,0.02603488451785347,0.008104310876567747,0.08871693167020767
EOS-3-09890,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5c(F)cccc5F)nn4)n23)cc1,DLLPWUQGLVFJKA-UHFFFAOYSA-N,3,1,0.321,98,39,456.42,3.113,6,0.401,0.72,1.0,0.026060585292303474,0.18831814131999178,0.4241313138235899,0.49080768967171545,0.2823294325269001
EOS-3-09891,Cc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2C)nn1,LGXZSOCYRURSDJ-UHFFFAOYSA-N,3,1,0.315,8,890,450.47,2.148,6,0.396,0.69,1.0,0.06288979507915839,0.03680350901240491,0.017510794325269002,0.01736515660338565,0.033642313755054484
EOS-3-09892,COc1cc(-c2cncc(Cl)n2)ccc1-c1cncc2nnc(-c3cnc(CO)nc3)n12,CKCNZGILSVZIAM-UHFFFAOYSA-N,3,1,0.368,82,478,446.858,2.86,5,0.433,0.65,1.0,0.4813498046741142,0.3903861969707354,0.3987732163662532,0.36862620793639916,0.4097838564868755
EOS-3-09893,Cc1cc(-c2cnn(C)c2)ccc1-c1cncc2nnc(-c3ccc(C(=O)N4CCOCC4)cc3)n12,QBPWKMSVMCQTOY-UHFFFAOYSA-N,3,1,0.455,52,229,479.544,3.64,6,0.391,0.9,1.0,0.019712494003152628,0.0017133849633335619,0.05650743609074087,0.10186930299499691,0.04495065451305599
EOS-3-09894,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,ZHGOLLVOMCRIRC-UHFFFAOYSA-N,3,1,0.337,62,366,446.514,4.721,6,0.422,0.83,1.0,0.1780378315399904,0.11893461722979919,0.38782468645055174,0.45724247824001096,0.2855099033650881
EOS-3-09896,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Cl)c1,BRFAJJMGZZPAOV-UHFFFAOYSA-N,3,1,0.556,36,728,454.281,3.263,5,0.398,0.77,1.0,0.5946902199986293,0.7496401891576999,0.3056935782331574,0.48493077924748135,0.5337386916592419
EOS-3-09897,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cnn(C)c6)cn5)n34)cc2)cn1C,YXAFTFOVSJKJCJ-UHFFFAOYSA-N,3,1,0.307,42,42,448.494,3.358,6,0.407,0.72,1.0,0.09232574874922898,0.0807175656226441,0.24031080803234872,0.16787745870742238,0.14530789527791105
EOS-3-09899,Cc1csc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)nn4)n23)n1,WUUVRSFNOMLGOE-UHFFFAOYSA-N,3,1,0.252,76,14,440.456,2.255,6,0.432,0.69,0.415,0.057569734768007676,0.14021485847440202,0.014632307586868617,0.016765471866218903,0.0572955931738743
EOS-3-09900,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnn5)cc4)n23)nc1,RSPVFDPREXKOMJ-UHFFFAOYSA-N,3,1,0.28,64,365,429.447,3.767,6,0.417,0.76,1.0,0.07849016517031046,0.07004317730107601,0.26526626002330206,0.3299122746898773,0.18592796929614147
EOS-3-09901,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1,XBIRFLFIAWDRKA-UHFFFAOYSA-N,3,1,0.306,38,608,432.451,3.106,6,0.418,0.69,1.0,0.1317079021314509,0.06652217120142553,0.20498081008841065,0.20408128298266054,0.15182304160098692
EOS-3-09902,COc1cc(F)ccc1-c1nnc2cncc(-c3ncnc(-c4ccc(Cl)cc4)n3)n12,YFNWAWSORJSAHN-UHFFFAOYSA-N,3,1,0.385,29,704,433.834,4.111,5,0.421,0.76,1.0,0.5946987869234459,0.7034644643958604,0.654890000685354,0.7051607155095607,0.6645534918785553
EOS-3-09903,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnnn5C)c4)n23)nc1,ALZNKVBAVJSKNB-UHFFFAOYSA-N,3,1,0.388,33,760,442.443,1.315,5,0.412,0.69,1.0,0.24742992255499965,0.0665307381262422,0.09567541635254609,0.04101843602220547,0.11266362826399834
EOS-3-09904,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cc4Cl)n23)cc1,YRBSKHONNYAYAD-UHFFFAOYSA-N,3,1,0.466,89,451,459.897,3.997,5,0.426,0.73,1.0,0.6884637790418752,0.5261976560893702,0.5595058597765746,0.4445377287368926,0.5546762559111781
EOS-3-09905,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5csnn5)ccc4Cl)n23)cc1,GCWHZFVKFYBGFV-UHFFFAOYSA-N,3,1,0.551,43,909,463.91,3.641,5,0.408,0.82,1.0,0.5039065177164005,0.45860461928586116,0.562795558906175,0.5204749503118361,0.5114454115550682
EOS-3-09906,Cc1nccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)nc1,NBRDMDPIGGLNOA-UHFFFAOYSA-N,3,1,0.309,98,213,447.466,2.809,6,0.401,0.69,1.0,0.0704972243163594,0.06653930505105887,0.10342848331163046,0.10403673497361388,0.08612543691316565
EOS-3-09907,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2)no1,ZEXUWRMMHCMQDU-UHFFFAOYSA-N,3,1,0.433,89,398,470.453,1.806,6,0.369,0.8,1.0,0.3139520937564252,0.14372729764923584,0.006810705229250908,0.005619902679734083,0.11752749982866151
EOS-3-09908,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4scnc4-c4ccc(F)cc4)n23)cc1,MHJJBGKUEGBZGK-UHFFFAOYSA-N,3,1,0.373,25,791,455.482,3.911,6,0.397,0.8,1.0,0.20896443012816118,0.36181550270714824,0.2546090055513673,0.3814251936125009,0.30170353299979435
EOS-3-09909,CC(F)(F)c1ncc(-c2nnc3cncc(-c4cc(F)ccc4OC(F)(F)F)n23)cn1,IUTQTIPONRYARK-UHFFFAOYSA-N,3,1,0.361,68,861,440.307,4.398,4,0.438,0.74,1.0,0.5888561441984785,0.7583356178466177,0.992418271537249,0.9738023439106298,0.8283530943732438
EOS-3-09911,CONC(=O)c1ccc(-c2nnc3cncc(Oc4ncc(-c5cnc(C)nc5)cc4F)n23)cc1,NALPYMHXAYDVDU-UHFFFAOYSA-N,3,1,0.423,89,412,472.44,3.174,5,0.37,0.84,1.0,0.709666917963128,0.38569152217120145,0.48457096840518127,0.2716143513124529,0.46288593996299093
EOS-3-09912,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)n2)nn1,HOHUZUQPCSQPTL-UHFFFAOYSA-N,3,1,0.333,38,865,434.467,3.049,6,0.42,0.69,1.0,0.05079329723802344,0.02557227057775341,0.17800356384072374,0.16788602563223906,0.10556378932218491
EOS-3-09913,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(O)F)nc4)n23)nc1,ZFJZIZMSEQTDBR-UHFFFAOYSA-N,3,1,0.357,50,974,431.435,2.796,5,0.451,0.71,0.893,0.20607737646494415,0.19254163525460902,0.1748680693578233,0.14702556370365294,0.18012816119525735
EOS-3-09914,Cn1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(F)cc5F)n34)c(F)c2)nn1,YPVAROGYMZZMFQ-UHFFFAOYSA-N,3,1,0.402,45,358,421.386,3.595,5,0.443,0.77,1.0,0.31643650195325884,0.4848793776985813,0.8662703036118155,0.8837553971626345,0.6378353951065725
EOS-3-09915,OCc1ncc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccc2F)cn1,FKJJRQQLLZDZPP-UHFFFAOYSA-N,3,1,0.461,13,145,448.845,4.325,5,0.427,0.8,1.0,0.7810379686107874,0.8939928723185525,0.8463008018641628,0.8613871564663148,0.8456796998149544
EOS-3-09916,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)cc1,WUWIGFPQDSPQHK-UHFFFAOYSA-N,3,1,0.294,39,144,453.416,3.774,6,0.401,0.75,0.602,0.03734322527585498,0.15543828387362071,0.4495579466794599,0.597714344458913,0.3100134500719621
EOS-3-09917,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)nn1,MZXIXZXLICOULT-UHFFFAOYSA-N,3,1,0.512,75,132,430.859,3.313,5,0.404,0.72,1.0,0.614299910903982,0.6254026454663834,0.3314885888561442,0.38143376053731753,0.4881562264409567
EOS-3-09918,Cc1noc(-c2cnc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nc2)n1,OCVAJIPHHBRDDG-UHFFFAOYSA-N,3,1,0.329,94,165,452.413,3.203,6,0.392,0.73,1.0,0.33639743677609485,0.3666986498526489,0.1681858680008224,0.21858508669727914,0.2724667603317113
EOS-3-09919,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)ncn4)n23)c1,GNLSGGVKGDROQN-UHFFFAOYSA-N,3,1,0.583,44,130,430.418,4.148,5,0.403,0.81,1.0,0.7782708518950038,0.7360616133232815,0.79928551847029,0.8262113631690768,0.784957336714413
EOS-3-09920,Cc1nc(-c2cncc3nnc(-c4c(-c5cccc(F)c5)cnn4C)n23)ccc1C(=O)NC1CC1,VNGSIPSCLFUFCD-UHFFFAOYSA-N,3,1,0.328,52,523,468.496,3.594,6,0.423,0.76,0.844,0.024921184291686656,0.1362826399835515,0.11406860393393188,0.19798163251319306,0.11831351518059077
EOS-3-09921,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(C6CCNCC6)c5)n34)cn2)c(C)n1,RVIPBHYMFZKBJJ-UHFFFAOYSA-N,3,1,0.258,82,974,452.526,3.048,6,0.443,0.69,1.0,0.038885271742855186,0.0013707079706668495,0.01184805702145158,0.02204269755328627,0.01853668357206497
EOS-3-09922,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)cc2)ccn1,GFTPIWXJAFUYNR-UHFFFAOYSA-N,3,1,0.305,42,150,435.426,3.635,6,0.39,0.75,1.0,0.01430676444383524,0.19255020217942567,0.6905198409978754,0.685782331574258,0.39578978479884863
EOS-3-09923,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(OCCCF)c4)n23)nc1,YMVITUPIIWQEOE-UHFFFAOYSA-N,3,1,0.406,33,457,423.408,1.998,4,0.405,0.76,1.0,0.45498937701322734,0.12238708793091632,0.1618634774861216,0.09763724213556302,0.20921929614145707
EOS-3-09924,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnccc5F)n34)ccc2F)nn1,XGNCCDDACFHQTE-UHFFFAOYSA-N,3,1,0.5,4,772,431.406,3.809,5,0.418,0.74,1.0,0.827187992598177,0.7360701802480981,0.7864436981701048,0.7557826742512508,0.7763711363169077
EOS-3-09925,c1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nn[nH]n6)cn5)n34)cc2)ccn1,WCVFPJSBHZEFFQ-UHFFFAOYSA-N,3,1,0.316,42,106,419.412,2.49,6,0.457,0.73,1.0,0.11515660338564869,0.17104722088958949,0.18100198752655747,0.23618155027071483,0.17584684051812763
EOS-3-09926,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)ncn5)c(F)c4)n23)cn1,HSERZSYHCGZHEA-UHFFFAOYSA-N,3,1,0.529,4,205,427.443,3.978,5,0.419,0.8,1.0,0.8191265163456926,0.77532382975807,0.6905284079226921,0.5730758686861764,0.7145136556781578
EOS-3-09927,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)cn1,KQDQFBRMBJUDTG-UHFFFAOYSA-N,3,1,0.352,62,341,467.508,4.373,6,0.4,0.84,1.0,0.20067164690562675,0.22685216914536357,0.41266876841888833,0.4445462956617093,0.321184720032897
EOS-3-09928,Cn1cc(-c2ccc(F)c(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)c2)cn1,BLSWTDHHQFLTIH-UHFFFAOYSA-N,3,1,0.31,98,314,452.457,3.188,6,0.405,0.71,1.0,0.1422452196559523,0.31343807826742515,0.41649818381193887,0.40311664724830376,0.318824532245905
EOS-3-09929,COc1cc(-c2nnc3cncc(COc4ccccc4)n23)ccc1-c1nncc(C)n1,XYRLNGUCOBGYCZ-UHFFFAOYSA-N,3,1,0.418,14,18,425.452,3.539,5,0.407,0.76,1.0,0.3289870468096772,0.17105578781440614,0.3277105750119937,0.23327736275786443,0.26525769309848535
EOS-3-09930,c1cnc(-c2ncccc2-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)nc1,MNMVQJHXCCIQEY-UHFFFAOYSA-N,3,1,0.294,94,165,444.462,3.086,6,0.395,0.7,1.0,0.1095367007059146,0.0997704064149133,0.19447776026317593,0.19518881502295937,0.14974342060174078
EOS-3-09931,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cn2)n1,HJARLYTVMIMUOB-UHFFFAOYSA-N,3,1,0.3,98,866,436.443,1.839,6,0.406,0.68,1.0,0.09470735384826262,0.09361078747172914,0.03957062572818861,0.044839284490439314,0.06818201288465492
EOS-3-09932,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)cn1,HIPCIRJQHNYRIE-UHFFFAOYSA-N,3,1,0.39,33,53,468.481,1.848,6,0.379,0.77,1.0,0.17804639846480708,0.08743403467891166,0.03545850181618806,0.029178945925570555,0.08252947022136933
EOS-3-09933,Cc1nc(Cc2cn(C)cn2)nc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1,KTMFNEWXFNVATO-UHFFFAOYSA-N,3,1,0.344,50,844,435.854,3.069,5,0.427,0.71,1.0,0.36183263655678155,0.45440682612569394,0.2152696867932287,0.305085326571174,0.33414861901171955
EOS-3-09934,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)c1,QUWXXVMLMKOYBD-UHFFFAOYSA-N,3,1,0.333,25,791,436.504,4.377,6,0.408,0.8,1.0,0.08494105955726132,0.09042389143992872,0.37667055033925023,0.46030087039956136,0.2530840929340004
EOS-3-09935,Fc1ccc(-c2nnc3cncc(-c4ncnc(-c5cccnc5)n4)n23)cc1C(F)(F)F,JDUMPCOGXDAXQT-UHFFFAOYSA-N,3,1,0.343,29,704,438.348,3.863,5,0.395,0.76,0.997,0.46417312041669523,0.6115156603385649,0.9438438078267425,0.9070402988143376,0.731643221849085
EOS-3-09936,N#Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)nc1,SKQQFQWVPMAPTK-UHFFFAOYSA-N,3,1,0.529,55,85,441.842,3.142,5,0.404,0.73,1.0,0.5632753066959084,0.7961671578370229,0.47741758618326363,0.5070334452744842,0.5859733739976698
EOS-3-09937,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)cc4F)n23)cc1,BPZPDSCQSOEZPO-UHFFFAOYSA-N,3,1,0.564,43,293,430.418,4.414,5,0.411,0.81,1.0,0.9693132753066959,0.8886214104585018,0.8528802001233637,0.8164108011788088,0.8818064217668427
EOS-3-09938,Cn1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)c2)n1,GPQQUJFCWUUEKT-UHFFFAOYSA-N,3,1,0.277,99,719,434.427,1.896,6,0.404,0.7,0.875,0.04755499965732301,0.04362278116647248,0.07060859433897608,0.08979850592831197,0.06289622027277088
EOS-3-09939,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)cnn1,PMJDCFMJIGXOGX-UHFFFAOYSA-N,3,1,0.244,98,112,434.427,1.896,6,0.404,0.7,0.712,0.038893838667671855,0.010134672058118018,0.03682920978685491,0.07562881228154342,0.04037163319854705
EOS-3-09940,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4ccncc4)n3)n12,PICHLQXVNURIOJ-UHFFFAOYSA-N,3,1,0.517,18,161,431.406,3.543,5,0.406,0.73,1.0,0.7156723322596121,0.6986155849496265,0.6634055239531218,0.6681001987526557,0.686448409978754
EOS-3-09941,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)cc1F,PWUHMCCJHQRVFF-UHFFFAOYSA-N,3,1,0.372,96,558,416.441,3.82,5,0.48,0.8,1.0,0.22545576040024673,0.22686073607018026,0.6660013021725721,0.6452265094921527,0.4408860770337879
EOS-3-09942,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)nn4)n23)s1,HZMRJPGVHBHYHA-UHFFFAOYSA-N,3,1,0.323,53,60,455.507,2.583,6,0.414,0.69,0.999,0.026069152217120143,0.004951682544033994,0.011291206908368172,0.019678226303885958,0.015497566993352066
EOS-3-09943,Cn1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cc5)n34)cn2)nn1,LVQIJNDITZZTRP-UHFFFAOYSA-N,3,1,0.288,86,780,433.439,2.501,6,0.412,0.7,1.0,0.03890240559248852,0.018950037694469193,0.12552258241381672,0.1445068878075526,0.08197047837708177
EOS-3-09944,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cn(C)nn5)cn4)n23)c(Cl)c1,UYYURLWYCVGVAK-UHFFFAOYSA-N,3,1,0.466,51,946,433.863,2.918,5,0.416,0.72,1.0,0.35726646562949765,0.5306096223699541,0.24386608183126585,0.2628332533753684,0.3486438558015215
EOS-3-09945,Cc1ncc(C(F)(F)F)nc1-c1ccc(-c2nnc3cncc(-c4cccnn4)n23)cc1,BLQFZEYCEMFFBV-UHFFFAOYSA-N,3,1,0.33,98,121,434.385,4.033,5,0.423,0.74,1.0,0.3060448221506408,0.36670721677746554,0.84967617024193,0.7242392570762799,0.561666866561579
EOS-3-09946,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cc1,BVTJCSNDFVYERR-UHFFFAOYSA-N,3,1,0.358,30,757,447.437,3.906,6,0.4,0.75,0.999,0.33148002193132753,0.4188883558357892,0.3727383318483997,0.47286854910561305,0.3989938146802824
EOS-3-09947,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)cc2)nc1,YYZANLCJFWGWHK-UHFFFAOYSA-N,3,1,0.287,42,515,447.437,3.906,6,0.4,0.75,1.0,0.3188266739771092,0.3618240696319649,0.42413988074840653,0.46664039476389557,0.392857754780344
EOS-3-09948,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)c1,WTHJXXDLIDSTDK-UHFFFAOYSA-N,3,1,0.298,39,972,451.429,2.64,6,0.398,0.7,1.0,0.14779658693715303,0.2020166541018436,0.15257693098485367,0.25382084846823383,0.18905275512302103
EOS-3-09949,CCn1c(-c2cncc3nnc(-c4ccc(-c5nncn5C)cn4)n23)nc2cc(F)ccc21,BCFIGRRMGRIRLA-UHFFFAOYSA-N,3,1,0.283,99,765,440.446,3.158,6,0.415,0.71,0.997,0.13696799396888493,0.22145500651086286,0.09824549379754643,0.1520629154958536,0.15218285244328694
EOS-3-09950,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ncc(Cl)c(F)n5)c4)n23)cc1,FIOPMUWCYJMCOP-UHFFFAOYSA-N,3,1,0.343,74,246,475.875,3.119,6,0.388,0.87,0.968,0.12312384346514975,0.20202522102666026,0.17487663628264,0.2777054348571037,0.19443278390788843
EOS-3-09951,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6F)c5)n34)cc2)CC1,BBTSBHHLEYGPCC-UHFFFAOYSA-N,3,1,0.346,62,246,453.481,4.065,6,0.433,0.8,0.998,0.09708895894729627,0.21144883832499486,0.3057021451579741,0.42554485641834006,0.2599461997121513
EOS-3-09952,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)cc4)n23)nc1,KCWDVUWDLLNZPG-UHFFFAOYSA-N,3,1,0.425,89,348,422.452,3.346,5,0.427,0.81,0.99,0.41099821807963816,0.2419899252964156,0.569657665684326,0.4666489616887122,0.422323692687273
EOS-3-09953,Fc1ccc(COc2cncc3nnc(-c4nncnc4-c4cccc(Cl)c4)n23)c(F)c1,COWSDZHFYVPNBW-UHFFFAOYSA-N,3,1,0.44,34,146,451.824,4.154,5,0.396,0.82,1.0,0.7034130628469605,0.7407648550476321,0.8071756562264409,0.8823589884175177,0.7834281406346377
EOS-3-09954,Cn1cc(-c2csc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)cn1,JKVYYGOTSUYZMN-UHFFFAOYSA-N,3,1,0.379,85,357,415.482,2.943,5,0.475,0.82,1.0,0.09233431567404564,0.0737697895963265,0.32415530121307656,0.22150640805976288,0.17794145363580288
EOS-3-09955,Cn1ccc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5cccnc5)n34)c2)n1,OOBGFUUQFIPZGS-UHFFFAOYSA-N,3,1,0.267,42,515,431.463,3.711,6,0.419,0.74,1.0,0.07430950585977658,0.03681207593722158,0.3878332533753684,0.3939500376944692,0.22322621821670893
EOS-3-09956,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cn2)nc1,BBYVTWWIFREPDJ-UHFFFAOYSA-N,3,1,0.31,86,459,430.435,3.162,6,0.415,0.71,1.0,0.11788945240216572,0.09674628195462956,0.2084332807895278,0.22151497498457953,0.16114599753272565
EOS-3-09957,N#Cc1cncc(-c2cnc(Oc3cncc4nnc(-c5ccc(F)cc5F)n34)cn2)c1,WEVXIJRYKSZCHI-UHFFFAOYSA-N,3,1,0.456,13,412,428.362,3.585,5,0.427,0.74,1.0,0.792115002398739,0.8667500514015489,0.847868549105613,0.8382050579124117,0.8362346652045781
EOS-3-09958,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)nc1,DNSODHLKRDTMIE-UHFFFAOYSA-N,3,1,0.524,72,482,448.849,3.452,5,0.389,0.7,1.0,0.9358423000479748,0.9176889863614557,0.39878178329106984,0.45083441847714345,0.675786872044411
EOS-3-09959,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1Cl,YBUNSJPVQJQXRZ-UHFFFAOYSA-N,3,1,0.714,90,281,417.803,3.748,4,0.475,0.81,1.0,0.9446747995339593,0.9286460832019738,0.8717959701185662,0.8440048660132958,0.8972804297169488
EOS-3-09960,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(C)s5)nn4)n23)cc1,CLIXUMHXYYBWAT-UHFFFAOYSA-N,3,1,0.5,89,926,459.495,2.347,5,0.406,0.73,1.0,0.36184120348159826,0.20650572270577752,0.04106127064628881,0.016114385580152147,0.1563806456034542
EOS-3-09961,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)nc5)n34)cc2F)n1,NLIZMJIXLNAVFF-UHFFFAOYSA-N,3,1,0.346,42,106,450.441,3.245,6,0.402,0.7,1.0,0.23922280858063188,0.33758823932561166,0.35018161880611337,0.35529607292166404,0.32057218490850525
EOS-3-09962,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)cn1,BNOXWFXLWBXVRZ-UHFFFAOYSA-N,3,1,0.275,94,179,431.463,3.711,6,0.419,0.76,0.749,0.1369765608937016,0.017382290453018985,0.2689500376944692,0.3050938934959907,0.18210069563429512
EOS-3-09963,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nncs5)n4)n23)cc1,PSKXVRLSUJNQCC-UHFFFAOYSA-N,3,1,0.495,89,731,445.468,2.038,5,0.417,0.7,1.0,0.4294856418340073,0.2827684874237544,0.04741792886025632,0.02037214721403605,0.1950110513330135
EOS-3-09965,Cc1ccnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)nc1,OADARIUAGSFBGN-UHFFFAOYSA-N,3,1,0.362,89,310,463.461,2.997,5,0.376,0.78,1.0,0.4765094921526969,0.24710437941196628,0.3387704749503118,0.20408984990747722,0.31661854910561305
EOS-3-09967,O=C(O)c1ccc(-c2nnc3cncc(-c4cnncc4-c4ccc(F)cc4F)n23)nc1,HMLYSUDPOWZPGN-UHFFFAOYSA-N,3,1,0.297,45,575,431.362,3.287,5,0.46,0.68,1.0,0.2791789459255706,0.1554468507984374,0.7219347543005963,0.6914279350284422,0.4619971215132616
EOS-3-09968,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)cc4OC)n23)cc1,SIURJGCRSWBCRF-UHFFFAOYSA-N,3,1,0.337,62,124,425.452,3.217,5,0.447,0.75,1.0,0.3386505380028785,0.15545541772325405,0.5595144267013913,0.3686347748612158,0.3555637893221849
EOS-3-09969,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cccc(-c5ccccc5)c4)n23)c1,IQTKTNRXWFCCMY-UHFFFAOYSA-N,3,1,0.388,93,228,430.475,4.316,6,0.414,0.82,1.0,0.12874374614488382,0.07377835652114317,0.435114111438558,0.5441539305051059,0.2954475361524227
EOS-3-09970,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cnc(-c6cncc(F)c6)nc5)n34)n2)cc1,CALSJPZZCAOHPQ-UHFFFAOYSA-N,3,1,0.327,10,871,454.404,3.169,6,0.399,0.7,0.999,0.029564457542320607,0.13629120690836818,0.40925913234185457,0.5002141731204167,0.26883224247824
EOS-3-09971,Cc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3c(F)cncc3F)n12,WSHVNJXDLZLHDF-UHFFFAOYSA-N,3,1,0.488,16,980,433.422,3.752,5,0.42,0.74,1.0,0.7125111370022617,0.5677215406757591,0.7164604893427455,0.642279487355219,0.6597431635939963
EOS-3-09972,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)s4)n23)nc1,YDXAPHIZCMEPGN-UHFFFAOYSA-N,3,1,0.266,70,272,437.492,3.772,6,0.414,0.75,1.0,0.07849873209512713,0.09361935439654581,0.19796449866355972,0.23037317524501405,0.15011394010006168
EOS-3-09973,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cc1,XKBJCMIPOXUKKB-UHFFFAOYSA-N,3,1,0.301,98,213,423.4,2.094,6,0.414,0.75,1.0,0.1866047563566582,0.10969090535261462,0.06637653347954219,0.0844955794667946,0.11179194366390241
EOS-3-09974,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nn2)c(F)c1,ODDAHGURSAWKOE-UHFFFAOYSA-N,3,1,0.337,3,115,453.416,3.774,6,0.401,0.73,1.0,0.04756356658213968,0.21145740524981152,0.6311082173942841,0.6830494825577411,0.3932946679459941
EOS-3-09975,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(C)C(C)(C)C)nc4)n23)nc1,GDCJPRRWZHVORW-UHFFFAOYSA-N,3,1,0.494,63,108,445.527,3.67,4,0.482,0.64,0.985,0.37088787608799945,0.08744260160372833,0.3766791172640669,0.09980467411417997,0.23370356726749364
EOS-3-09976,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nn2)n1,LZQREPFWZMSJRU-UHFFFAOYSA-N,3,1,0.347,98,42,434.467,3.143,6,0.42,0.71,1.0,0.00985196353916798,0.018958604619285863,0.17136419710780618,0.15746007813035434,0.08940871084915358
EOS-3-09977,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)c(F)c4)n23)cc1,BSKGSGIDBKTUMY-UHFFFAOYSA-N,3,1,0.295,64,27,468.431,3.384,6,0.387,0.78,1.0,0.22838564868754713,0.29834315674045647,0.41267733534370504,0.517228085806319,0.3641585566445069
EOS-3-09978,Fc1cc(-c2ncc[nH]2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cn3)n12,NWFPXHPKYBRNOI-UHFFFAOYSA-N,3,1,0.306,94,170,435.426,3.84,6,0.448,0.74,0.996,0.25776163388390105,0.342557055719279,0.657931258995271,0.6592762661914879,0.47938155369748475
EOS-3-09979,Cn1cnnc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1Cl,RGHQQYYTOJWSSM-UHFFFAOYSA-N,3,1,0.286,99,286,456.861,2.482,6,0.423,0.69,0.999,0.18105338907545748,0.28277705434857103,0.09335377972722911,0.14944143650195327,0.17665641491330272
EOS-3-09980,OCc1cc(-c2nnc3cncc(Cc4cc(-c5cnccn5)ncn4)n23)ccc1Cl,SUSBFHJNTMWRMW-UHFFFAOYSA-N,3,1,0.34,85,674,430.859,2.775,5,0.452,0.63,1.0,0.3594852991570146,0.4632735933109451,0.5160287163319854,0.5503735179220067,0.4722902816804879
EOS-3-09981,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5nccnn5)c4)n23)cc1,HZHRZBBGYZDGHI-UHFFFAOYSA-N,3,1,0.753,1,996,447.405,3.824,5,0.371,0.78,1.0,0.9335549311219244,0.8453156055102461,0.8415118908916456,0.7783907888424371,0.8496933040915633
EOS-3-09982,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5nccn5C)n34)nc2)cn1,FQCYKQSTOFOAMP-UHFFFAOYSA-N,3,1,0.247,86,953,435.455,2.444,6,0.414,0.67,1.0,0.03334247138647111,0.025580837502570078,0.07286169556575972,0.0679699814954424,0.049938746487560824
EOS-3-09983,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)nc1,ZMRYGFCTVSFUAQ-UHFFFAOYSA-N,3,1,0.413,46,267,434.822,3.41,5,0.414,0.68,1.0,0.555085326571174,0.5216571859365362,0.5015848810910836,0.5601312452881914,0.5346146597217463
EOS-3-09984,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)cc1,LCEOTXWNNVLTQL-UHFFFAOYSA-N,3,1,0.333,38,193,437.492,3.772,6,0.414,0.73,1.0,0.06451751079432527,0.08072613254746076,0.25807861010211774,0.2538294153930505,0.16428791720923858
EOS-3-09985,c1ccc(-c2cnc(-c3nnc4cncc(Cc5ccc(-c6cncnc6)cc5)n34)cn2)nc1,RCAGTZIHWLQRNA-UHFFFAOYSA-N,3,1,0.327,94,72,443.474,3.691,6,0.397,0.74,1.0,0.12576245630868343,0.08422143787266123,0.38784182030018505,0.40628640943047084,0.25102803097800014
EOS-3-09986,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(C)nn5)n4)n23)cc1,KKJMTLCDRUZJCF-UHFFFAOYSA-N,3,1,0.464,89,398,471.456,2.424,5,0.396,0.72,1.0,0.48642142416558154,0.36183263655678155,0.1908625179905421,0.11303200603111507,0.28803714618600507
EOS-3-09987,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)nn1,MIWLPFLVQXTSEG-UHFFFAOYSA-N,3,1,0.471,13,412,434.822,3.932,5,0.419,0.75,1.0,0.8164450688780756,0.9119063121102049,0.5662651634569255,0.5886248372284285,0.7208103454184086
EOS-3-09988,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)cc1F,GCCJFYYBIAMLMP-UHFFFAOYSA-N,3,1,0.647,84,360,431.406,3.543,5,0.406,0.76,1.0,0.8393358919882119,0.7961757247618395,0.7904615859091221,0.7734048385991364,0.7998445103145775
EOS-3-09989,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)cc1)N1CC(F)C1,GZWUIGOTZVCVCZ-UHFFFAOYSA-N,3,1,0.358,52,376,469.455,3.848,6,0.397,0.8,1.0,0.31644506887807555,0.272513878418203,0.3613186210677815,0.47861695565759715,0.3572236310054143
EOS-3-09990,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)ccn1,RNUVGMBCGXLDTI-UHFFFAOYSA-N,3,1,0.293,99,356,452.417,2.035,6,0.39,0.7,1.0,0.06115070934137482,0.1402234253992187,0.06843259543554246,0.1470341306284696,0.1042102152011514
EOS-3-09991,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cn1,OFCOMYXXYOIZID-UHFFFAOYSA-N,3,1,0.316,86,790,432.451,3.106,6,0.418,0.71,0.994,0.1341580426290179,0.06265848810910836,0.22946508121444725,0.20989822493317797,0.15904495922143788
EOS-3-09992,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)nc1,NFLUBBSSHVYTSL-UHFFFAOYSA-N,3,1,0.61,35,393,437.438,3.881,5,0.397,0.77,1.0,0.9489582619422932,0.9521023233500103,0.835026728805428,0.809677198272908,0.8864411280926598
EOS-3-09993,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)c(F)c6)nn5)n34)cc2)n1C,OKAOSTAMEXEEIJ-UHFFFAOYSA-N,3,1,0.306,98,39,470.447,3.421,6,0.389,0.78,1.0,0.029573024467137277,0.2317438832156809,0.395063737920636,0.4508429854019601,0.2768059077513536
EOS-3-09994,Cc1nn(C)cc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,ULFZRUSNDHOQHK-UHFFFAOYSA-N,3,1,0.523,89,926,440.467,2.573,5,0.43,0.66,0.975,0.3034490439311905,0.10319717634158043,0.27662600233020357,0.1331642793502844,0.20410912548831472
EOS-3-09996,CC1CC1NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C(F)F)nc4)n23)cn1,DGQFQFSIYJMACQ-UHFFFAOYSA-N,3,1,0.369,68,66,422.399,2.719,5,0.526,0.64,0.999,0.15894215612363785,0.13629977383318484,0.4092676992666712,0.2986087314097731,0.25077959015831675
EOS-3-09997,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)nn1,QHGKJXLQYHBIBK-UHFFFAOYSA-N,3,1,0.429,54,691,434.822,3.41,5,0.387,0.78,1.0,0.6283668014529504,0.6641679802618052,0.5225481461174697,0.6131776437529984,0.607065142896306
EOS-3-09998,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccc2F)nc1,WJZUEOJBYCYDPZ-UHFFFAOYSA-N,3,1,0.619,11,141,431.406,3.543,5,0.406,0.74,1.0,0.9489668288671098,0.9159070659995888,0.5763398670413269,0.5795181961483106,0.7551829895140841
EOS-3-09999,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)cn1,QWSUZXSKIHZZPB-UHFFFAOYSA-N,3,1,0.324,98,882,435.455,2.444,6,0.414,0.68,1.0,0.06637653347954219,0.023242067027619766,0.15258549790967035,0.13518607360701804,0.09434754300596258
EOS-3-10000,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)cc1,FVROFDNTRCTFIH-UHFFFAOYSA-N,3,1,0.32,98,746,435.455,2.444,6,0.414,0.68,1.0,0.090055513672812,0.04363134809128915,0.06438043999725858,0.07363271879925981,0.06792500514015488
EOS-3-10001,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)cn1,SQCNRZNQOXWCOF-UHFFFAOYSA-N,3,1,0.31,70,191,450.441,3.245,6,0.402,0.71,1.0,0.23923137550544857,0.27252244534301967,0.3020869028853403,0.3266911109588102,0.2851329586731547
EOS-3-10002,CCc1cc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc(F)c1Cl,MYTHAHJLNUDOHR-UHFFFAOYSA-N,3,1,0.316,22,844,421.827,3.388,5,0.473,0.71,1.0,0.3164536358028922,0.404864299910904,0.48109279692961415,0.560139812213008,0.44063763621410457
EOS-3-10003,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnccc4-c4cccc(F)c4)n23)nc1,HTWRKXZLZRDLTP-UHFFFAOYSA-N,3,1,0.345,42,572,449.453,3.85,6,0.403,0.75,0.979,0.19243026523199233,0.25690494140223424,0.4811013638544308,0.5341049276951545,0.36613537454595296
EOS-3-10004,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)n5)c4)n23)s1,ARFZCTOILBIYDP-UHFFFAOYSA-N,3,1,0.265,74,523,446.471,3.132,6,0.416,0.7,0.195,0.015223425399218697,0.021091768898636145,0.06438900692207525,0.12458022068398328,0.05632110547597834
EOS-3-10005,c1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)nc1,CMLOVQCYHBTMEG-UHFFFAOYSA-N,3,1,0.29,32,557,429.447,3.767,6,0.417,0.75,1.0,0.0807432663970941,0.087451168528545,0.30209546981015695,0.3266996778836269,0.19924739565485572
EOS-3-10006,c1cncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)c1,OZGNJSRGBFOSEG-UHFFFAOYSA-N,3,1,0.268,64,327,429.447,3.767,6,0.417,0.75,1.0,0.13171646905626755,0.08073469947227743,0.335180933452128,0.38444075114796794,0.23301821328216024
EOS-3-10008,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc(Cl)cc5Cl)cc4)n23)nc1,OKSVBCOAVHGPLC-UHFFFAOYSA-N,3,1,0.32,96,523,463.288,3.716,5,0.431,0.72,0.986,0.18968884929065863,0.18394044273867452,0.4913045713110822,0.5825937221574944,0.36188189637447743
EOS-3-10009,c1cncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nn5)n34)cc2)c1,ILIWRJXLMKGLFD-UHFFFAOYSA-N,3,1,0.306,42,171,430.435,3.162,6,0.415,0.72,1.0,0.09709752587211294,0.12597662942910012,0.3021040367349736,0.3553046398464807,0.22012070797066685
EOS-3-10010,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)nc1,WBWMTUHZUGUMCD-UHFFFAOYSA-N,3,1,0.308,76,114,430.435,3.162,6,0.415,0.72,1.0,0.06452607771914194,0.05485401960112398,0.08148002193132753,0.1104961962853814,0.07783907888424371
EOS-3-10011,Cc1nnc(-c2cnncc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)o1,YQPOXMWXYJLIBP-UHFFFAOYSA-N,3,1,0.277,70,957,434.423,3.064,6,0.407,0.69,0.999,0.0828164622027277,0.06266705503392503,0.18101055445137412,0.19799019943800975,0.13112106778150914
EOS-3-10012,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(C)cn5)cn4)n23)nc1,XGKYQNHFQQFENG-UHFFFAOYSA-N,3,1,0.378,33,48,454.454,1.68,5,0.402,0.68,1.0,0.3663988074840655,0.12936913165650057,0.06042252073195806,0.019052840792269207,0.14381082516619834
EOS-3-10013,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,DDNJNYYYUPALEP-UHFFFAOYSA-N,3,1,0.554,36,728,437.826,2.748,5,0.413,0.7,1.0,0.7067113289013776,0.7961842916866562,0.44244739908162567,0.5235590432458365,0.617225515728874
EOS-3-10014,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncn5)cn4)n23)cc1,KJQFGXCMMSJNJI-UHFFFAOYSA-N,3,1,0.307,38,983,431.463,3.711,6,0.419,0.72,1.0,0.18375197039270783,0.05881193886642451,0.42013912685902266,0.3783839353025838,0.2602717428551847
EOS-3-10015,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)s5)cc4)n23)cc1,RYEHRQNNVLFWJI-UHFFFAOYSA-N,3,1,0.366,62,3,425.517,4.855,5,0.447,0.86,1.0,0.192438832156809,0.10969947227743129,0.6136402576930985,0.4908162565965321,0.3516487046809677
EOS-3-10016,Cc1cc(F)cnc1-c1cncc2nnc(-c3ccc(C(=O)NC(C)(F)CF)cn3)n12,FTBZYAWBSSWAFQ-UHFFFAOYSA-N,3,1,0.307,68,457,427.39,3.081,4,0.492,0.67,0.999,0.24443149886916593,0.277568364060037,0.5983054622712631,0.45085155232677676,0.39278921938181066
EOS-3-10017,Cc1cncc(-c2nccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)n1,ASLDPQAIUFZWGS-UHFFFAOYSA-N,3,1,0.469,89,731,439.439,2.025,5,0.419,0.65,0.997,0.4477588924679597,0.1710643547392228,0.10077273661846343,0.04894284147762319,0.19213470632581728
EOS-3-10018,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4F)n23)cn1,ZPVDMYJULXMLAG-UHFFFAOYSA-N,3,1,0.529,97,666,441.401,3.977,5,0.407,0.76,1.0,0.9212185593859228,0.8964001781920362,0.9009492152696867,0.8794548009046672,0.8995056884380783
EOS-3-10019,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nc1,XBVCZAJKUZZUMR-UHFFFAOYSA-N,3,1,0.307,38,213,438.48,3.167,6,0.412,0.7,1.0,0.09234288259886231,0.11894318415461586,0.13117675279281749,0.16528168048797204,0.12693612500856694
EOS-3-10020,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)nc1)N1CCCC1,NTHIESXRNKSETF-UHFFFAOYSA-N,3,1,0.32,52,821,466.48,3.685,6,0.372,0.8,0.998,0.054091563292440546,0.09362792132136248,0.017519361250085668,0.09764580906037969,0.0657211637310671
EOS-3-10021,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)nc2)ccn1,STOMZGYGPFGDOA-UHFFFAOYSA-N,3,1,0.299,32,174,442.486,4.681,6,0.391,0.87,0.999,0.09710609279692961,0.0807432663970941,0.5918717017339455,0.5571242546775409,0.33171132890137756
EOS-3-10022,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)nc4)n23)cc1,ABWUVNJCWMKJIQ-UHFFFAOYSA-N,3,1,0.608,89,770,429.871,4.184,5,0.413,0.75,1.0,0.9345829620999246,0.8048368857514906,0.5361524227263381,0.5204835172366528,0.6990139469536015
EOS-3-10023,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,ULXVTFFYFZXVDR-UHFFFAOYSA-N,3,1,0.398,53,602,449.837,2.847,5,0.36,0.75,0.983,0.5828421629771777,0.654812898362004,0.33877904187512853,0.42244362963470633,0.49971943321225415
EOS-3-10024,C#Cc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)nn1,WAWMDSUFGLVAIC-UHFFFAOYSA-N,3,1,0.308,52,295,460.461,1.974,6,0.39,0.7,0.996,0.15632067712973752,0.04741792886025632,0.04910561304913988,0.07747070111712699,0.08257873003906517
EOS-3-10025,Cc1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cn5)n34)cc2)nnn1C,ITMFLACMHOZVAS-UHFFFAOYSA-N,3,1,0.303,98,882,449.482,2.753,6,0.403,0.69,1.0,0.04757213350695634,0.04012747584127202,0.06638510040435885,0.05845212802412446,0.05313420944417792
EOS-3-10026,Cn1nnnc1-c1ccc(Cl)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,FDNODEKXFKWUTK-UHFFFAOYSA-N,3,1,0.64,43,402,453.293,3.868,5,0.399,0.76,1.0,0.8219364676855596,0.8940014392433692,0.5918802686587622,0.7296192858611473,0.7593593653622095
EOS-3-10027,Cc1ncc(-c2cc(-c3nnc4cncc(Cc5ccc(F)c(F)c5)n34)ccn2)cc1F,IEIOCZFOZRDAPO-UHFFFAOYSA-N,3,1,0.376,14,358,432.409,4.565,5,0.416,0.82,1.0,0.45716537591666095,0.5262062230141868,0.931918648481941,0.9244911246658899,0.7099453430196696
EOS-3-10028,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5nnc(C)o5)n4)n23)cc1F,DSWYVCMPDHYIMS-UHFFFAOYSA-N,3,1,0.33,74,413,432.379,1.5,5,0.442,0.62,0.999,0.23923994243026522,0.19719347543005963,0.0440425604824892,0.03733465835103831,0.1294526591734631
EOS-3-10029,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nc2)n1C,BIKURYHASPAGMO-UHFFFAOYSA-N,3,1,0.33,70,687,446.478,3.414,6,0.405,0.71,1.0,0.05936022205469125,0.04013604276608868,0.10343705023644713,0.11543074497978206,0.07959101500925228
EOS-3-10030,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)c(-c2ccncc2)n1,GBNCAJNOZBXDDV-UHFFFAOYSA-N,3,1,0.304,70,968,446.478,3.414,6,0.405,0.71,0.945,0.09006408059762867,0.05096463573435679,0.1780121307655404,0.16789459255705572,0.12173385991364541
EOS-3-10031,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(Cl)cc5)n4)n23)cc1,SWSRDINXVUYYJY-UHFFFAOYSA-N,3,1,0.364,3,289,454.885,3.488,6,0.401,0.73,1.0,0.040435885134672056,0.21630628469604551,0.27249674456856965,0.37187307244191625,0.22527799671030088
EOS-3-10032,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)cc1,GZCSLIVYNQIPGV-UHFFFAOYSA-N,3,1,0.333,67,289,454.885,3.488,6,0.401,0.73,1.0,0.040444452059488725,0.2114659721746282,0.26895860461928583,0.3814423274621342,0.22557783907888423
EOS-3-10033,CCN1CCN(C(=O)c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cc2)CC1,SIHAHABQSNSBMV-UHFFFAOYSA-N,3,1,0.43,0,901,487.539,2.398,5,0.447,0.91,0.994,0.13698512781851827,0.04742649578507299,0.006819272154067576,0.023636145569186483,0.05371676033171133
EOS-3-10034,CCn1ccnc1-c1nc(C)nc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)n1,WYKNQZYAQBWTAV-UHFFFAOYSA-N,3,1,0.33,74,413,458.461,2.334,5,0.425,0.66,1.0,0.17234939346172298,0.15546398464807074,0.03290555822082106,0.02038071413885272,0.09527491261736688
EOS-3-10035,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1,NVSPATJFUFEAFZ-UHFFFAOYSA-N,3,1,0.346,94,515,448.425,3.301,6,0.4,0.72,0.97,0.2901960112398054,0.36184120348159826,0.4566770612021109,0.5172366527311356,0.4064877321636625
EOS-3-10036,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)cc1,FRKODHBQSSXGSQ-UHFFFAOYSA-N,3,1,0.346,94,566,448.425,3.301,6,0.4,0.72,0.989,0.2875316976218217,0.4002552943595367,0.47070968405181274,0.5140583236241518,0.41813874991433075
EOS-3-10037,O=C(O)c1cc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1Cl,VEMCDUFEQFALSU-UHFFFAOYSA-N,3,1,0.519,23,254,419.199,4.728,4,0.515,0.82,1.0,0.7921235693235557,0.6986241518744432,0.9397145500651086,0.9481015694606264,0.8446409601809335
EOS-3-10038,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cn5)n34)cc2)n1C,OGAASBNZPPJRHU-UHFFFAOYSA-N,3,1,0.324,98,882,448.494,3.358,6,0.407,0.71,1.0,0.13172503598108423,0.07005174422589268,0.19087108491535879,0.14945000342676992,0.13552446713727642
EOS-3-10039,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)n4)n23)nc1,OULIIXFPYOFAMX-UHFFFAOYSA-N,3,1,0.279,33,432,458.873,2.375,6,0.397,0.73,0.991,0.050801864162840105,0.1128092659858817,0.027148584744020286,0.07364128572407648,0.06610025015420465
EOS-3-10040,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)cn1,DPGBCDCGORDGQW-UHFFFAOYSA-N,3,1,0.333,94,515,449.453,3.85,6,0.403,0.77,0.911,0.2392485093550819,0.2775769309848537,0.44593413748200944,0.4817952847645809,0.36113871564663147
EOS-3-10041,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)nc1,MZABMOJHGDXERC-UHFFFAOYSA-N,3,1,0.543,2,491,434.822,3.41,5,0.414,0.71,1.0,0.5974659036392297,0.6788516893975739,0.5327085189500377,0.5699232403536426,0.594737338085121
EOS-3-10042,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5cnc(C(F)F)cn5)n34)nc2)CCC1,GPFZDQKIBOIKDO-UHFFFAOYSA-N,3,1,0.351,63,5,450.453,3.177,5,0.48,0.64,0.966,0.16700363237612226,0.17107292166403948,0.05837502570077445,0.11304057295593174,0.127373038174217
EOS-3-10043,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)n2)nn1,TZMFEAQYMJKZKC-UHFFFAOYSA-N,3,1,0.315,98,865,434.467,3.049,6,0.42,0.71,1.0,0.044787882941539306,0.01896717154410253,0.21873929134397915,0.20409841683229388,0.12164819066547872
EOS-3-10044,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccsc5)n4)n23)cc1,ZEZZCVMJRAQONS-UHFFFAOYSA-N,3,1,0.544,89,731,446.467,3.732,5,0.426,0.72,1.0,0.6143084778287986,0.37640497566993353,0.5294359536700706,0.43525974916044136,0.488852289082311
EOS-3-10045,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,RNDYMQSPJUXBDN-UHFFFAOYSA-N,3,1,0.522,89,926,468.481,1.848,6,0.379,0.81,1.0,0.33389589472962783,0.11895175107943252,0.028253718045370434,0.032040298814337606,0.1282854156671921
EOS-3-10046,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)cc2)cs1,HXDJDTCNBGANDC-UHFFFAOYSA-N,3,1,0.293,98,193,452.507,3.476,6,0.4,0.72,1.0,0.07050579124117606,0.10645260777191419,0.1059728599821808,0.10404530189843054,0.0967441402234254
EOS-3-10047,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncnc(-c5cnn(C)c5)n4)n23)nc1,IRNUSHMLRYAKIR-UHFFFAOYSA-N,3,1,0.366,33,760,443.431,0.71,5,0.397,0.68,1.0,0.2820402988143376,0.10320574326639709,0.021014666575286136,0.00492598176958399,0.1027966726064012
EOS-3-10048,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCCC6)nn5)n34)nc2)s1,WKQUGLHINVTQOQ-UHFFFAOYSA-N,3,1,0.351,52,546,470.522,2.706,6,0.389,0.77,1.0,0.0027157151668836953,0.004154958536083888,0.00023130697005003083,0.0004112123912000548,0.001878298266054417
EOS-3-10049,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)c(F)c4)n23)cn1,OEQFZDKYKIKUNA-UHFFFAOYSA-N,3,1,0.291,98,866,454.433,1.978,6,0.392,0.68,1.0,0.24444006579398259,0.3134466451922418,0.08890754574737852,0.12227571790829964,0.19226749366047563
EOS-3-10050,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,CZONBPXFGZTAOA-UHFFFAOYSA-N,3,1,0.292,82,974,466.509,2.727,6,0.404,0.73,0.979,0.09711465972174628,0.06267562195874168,0.006159618943184154,0.006416626687684189,0.04309163182783908
EOS-3-10051,COc1cc(-c2cn(C)nn2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,YVQLHSXGGWROQC-UHFFFAOYSA-N,3,1,0.323,10,195,449.478,3.448,6,0.397,0.75,1.0,0.012841820300185046,0.03389932149955452,0.36501096566376534,0.3017099581934069,0.17836551641422793
EOS-3-10052,Cc1cnc(-c2nnc3cncc(-c4cc(-c5cccnc5)nc(C(F)F)n4)n23)c(C)n1,OWIPQFUYLXBAPX-UHFFFAOYSA-N,3,1,0.267,50,243,431.41,3.655,5,0.424,0.71,0.866,0.22546432732506339,0.24711294633678293,0.20498937701322734,0.17605030498252347,0.2134042389143993
EOS-3-10053,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)nc5)n34)cc2)n1,SZHKKERZSDNMMJ-UHFFFAOYSA-N,3,1,0.297,38,725,433.479,3.654,6,0.421,0.74,1.0,0.08494962648207799,0.07006031115070935,0.4092762661914879,0.3458895894729628,0.2275439483243095
EOS-3-10054,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c2)nn1,UALAWZGKJROJFW-UHFFFAOYSA-N,3,1,0.303,32,727,431.463,3.711,6,0.419,0.75,1.0,0.041857994654238916,0.03390788842437119,0.35019018573093,0.3655249811527654,0.19787026249057638
EOS-3-10055,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)cc1,RXIMUUDBDIWXTR-UHFFFAOYSA-N,3,1,0.284,64,495,431.463,3.711,6,0.419,0.75,1.0,0.12313241038996642,0.04014460969090535,0.21203138921252826,0.2448598451099993,0.15504206360084982
EOS-3-10056,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nc1,VLTCWNVSZYGZMM-UHFFFAOYSA-N,3,1,0.316,30,515,431.463,3.711,6,0.419,0.75,0.999,0.09952196559522994,0.05882050579124118,0.33149715578096084,0.3491450209032966,0.20974616201768215
EOS-3-10057,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-n5cccn5)n4)n23)c1,MGETWZCPYMKARM-UHFFFAOYSA-N,3,1,0.303,64,176,435.426,3.635,6,0.417,0.7,0.992,0.014315331368651908,0.10646117469673086,0.3130268658762251,0.4062949763552875,0.21002458707422383
EOS-3-10058,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(CO)nc4)n23)cc1,ULLAKGPAIGERIX-UHFFFAOYSA-N,3,1,0.315,74,333,439.439,1.557,5,0.417,0.67,1.0,0.2577702008087177,0.0772565279967103,0.1681944349256391,0.11050476321019807,0.1534314817353163
EOS-3-10059,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(C5CCCNC5)c4)n23)nc1,MJPWWFSAFFGGDT-UHFFFAOYSA-N,3,1,0.365,63,505,445.502,2.743,5,0.49,0.63,0.986,0.14225378658076895,0.02787677335343705,0.15868514837913783,0.20410698375711056,0.1332306730176136
EOS-3-10060,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cc1,SBYKDFQKDBEOOH-UHFFFAOYSA-N,3,1,0.327,98,150,454.885,3.488,6,0.375,0.78,1.0,0.019721060927969297,0.14023199232403535,0.31689054896854224,0.3718816393667329,0.21218131039681995
EOS-3-10061,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cn6)nc5)n34)cn2)c1,JUXSBTYTQAJZCS-UHFFFAOYSA-N,3,1,0.295,10,195,460.436,3.507,6,0.392,0.73,0.992,0.03891097251730519,0.1554725515728874,0.595032896991296,0.627578644369817,0.35424876636282643
EOS-3-10062,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccon5)cc4F)n23)nc1,PNYGUGNJSCXZKY-UHFFFAOYSA-N,3,1,0.317,98,219,440.402,2.838,6,0.407,0.69,1.0,0.2365070934137482,0.2827856212733877,0.24387464875608253,0.3081694195051744,0.2678341957370982
EOS-3-10063,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)cc3)n12,MYQFTIRUYZJWRY-UHFFFAOYSA-N,3,1,0.318,9,38,435.426,3.84,6,0.448,0.71,1.0,0.29020457816462203,0.2983517236652731,0.685088410664108,0.6969964361592763,0.4926602871633199
EOS-3-10064,Cc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(C)(C)O)cc5)n34)n2)cn1,NMHJKPBDWLFXKW-UHFFFAOYSA-N,3,1,0.352,74,333,424.468,3.241,5,0.468,0.69,1.0,0.23356007127681447,0.1189603180042492,0.5983140291960798,0.41605270372147213,0.3417217805496539
EOS-3-10065,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)n5C)n34)cc2)n1C,YIVBSEURZRUYOP-UHFFFAOYSA-N,3,1,0.382,9,474,447.506,3.963,6,0.406,0.74,1.0,0.09007264752244534,0.05486258652594065,0.14949283805085326,0.17060174079912274,0.1162574532245905
EOS-3-10066,Cc1cnc(-c2ncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cn1,IOIBIDOHNZVQOA-UHFFFAOYSA-N,3,1,0.489,7,48,431.847,2.974,5,0.413,0.71,1.0,0.6369936947433349,0.5973116989925297,0.24031937495716538,0.2538379823178672,0.4321156877527243
EOS-3-10068,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1C,AIZCFAVZSPGFQC-UHFFFAOYSA-N,3,1,0.398,92,62,433.863,2.918,5,0.416,0.71,1.0,0.454997943938044,0.47635528750599687,0.13410664108011788,0.1679031594818724,0.30834075800150784
EOS-3-10069,Cc1cc(-c2nnc3cncc(OCc4cc(-c5nncn5C)ccc4Cl)n23)ccn1,OPRGJECAMZSFIN-UHFFFAOYSA-N,3,1,0.518,36,250,432.875,3.523,5,0.419,0.74,1.0,0.6255568501130834,0.6887550544856418,0.47396511548214654,0.46030943732437807,0.5621466143513124
EOS-3-10070,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(C#N)c2)nn1,KFIKNGBZMPYNQZ-UHFFFAOYSA-N,3,1,0.443,20,658,436.439,2.235,5,0.389,0.7,1.0,0.6611095881022548,0.6254112123912,0.20133986704132684,0.17605887190734015,0.4159798848605305
EOS-3-10071,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cnc(C)cn5)c4)n23)nc1,DDJPLSHTIBIVKZ-UHFFFAOYSA-N,3,1,0.44,46,348,427.443,3.978,5,0.419,0.76,1.0,0.657699952025221,0.5586920019189912,0.5983225961208964,0.5070420121993009,0.5804391405661025
EOS-3-10072,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)nn1,PCEWJBFCQALKLI-UHFFFAOYSA-N,3,1,0.373,93,774,434.438,4.24,6,0.413,0.78,0.848,0.03080666164073744,0.1839490096634912,0.6254540470152834,0.6885323144404085,0.38218550818998015
EOS-3-10073,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cn4)n23)c(F)c1,AGNJMMMNZCXGMX-UHFFFAOYSA-N,3,1,0.306,98,882,439.418,2.573,6,0.444,0.65,1.0,0.16440785415667192,0.267382290453019,0.30211260365979026,0.32041155506819274,0.26357857583441846
EOS-3-10074,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)nc1,XGGYFPGTXGSKBL-UHFFFAOYSA-N,3,1,0.406,51,969,443.402,1.855,5,0.388,0.71,1.0,0.5013707079706669,0.2622421355630183,0.22947364813926394,0.16791172640668905,0.2902495545199095
EOS-3-10075,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnnn6C)cn5)n34)cc2)nn1,VCKHYYYEMHXMIS-UHFFFAOYSA-N,3,1,0.344,98,866,437.431,1.234,6,0.395,0.68,1.0,0.05936878897950792,0.05882907271605784,0.020080871770269345,0.020389281063669384,0.03966700363237612
EOS-3-10076,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)nn1,QIZDPTJDXNGGQG-UHFFFAOYSA-N,3,1,0.325,3,668,431.463,3.804,6,0.418,0.71,1.0,0.010503049825234733,0.027885340278253717,0.36132718799259816,0.37189020629154956,0.19290144609690904
EOS-3-10077,C#Cc1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,OHLIWHVOHOSRRQ-UHFFFAOYSA-N,3,1,0.419,63,108,412.413,1.429,5,0.472,0.87,1.0,0.2551230210403673,0.1326930984853677,0.04253478171475567,0.044847851415255977,0.11879968816393667
EOS-3-10078,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nccs5)cn4)n23)cc1,YWHNSOOYTNSOQU-UHFFFAOYSA-N,3,1,0.324,42,762,437.492,3.772,6,0.414,0.74,1.0,0.1202881913508327,0.10646974162154753,0.16498183811938866,0.1679202933315057,0.13991501610581863
EOS-3-10079,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)cn2)n1,NYMTXJWDGCGHMT-UHFFFAOYSA-N,3,1,0.306,98,765,454.433,1.978,6,0.392,0.69,1.0,0.18106195600027414,0.2934514426701391,0.0982540607223631,0.12458878760879995,0.1743390617503941
EOS-3-10080,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nc2)cn1,GRZAXHSPBCMXQR-UHFFFAOYSA-N,3,1,0.307,42,723,431.463,3.711,6,0.419,0.73,1.0,0.07051435816599273,0.04015317661572202,0.4881519429785484,0.4413765334795422,0.26004900280995136
EOS-3-10081,Cn1ncnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)n1,JUFTYGFCCYWKTB-UHFFFAOYSA-N,3,1,0.322,38,193,431.463,3.711,6,0.419,0.73,1.0,0.0785072990199438,0.03682064286203824,0.30212117058460697,0.3364402714001782,0.1884723459666918
EOS-3-10082,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cc1,GAYILUSRNQJHFO-UHFFFAOYSA-N,3,1,0.34,61,917,411.429,2.008,5,0.481,0.88,1.0,0.17508224247824,0.05487115345075732,0.13118531971763417,0.09571825097662943,0.11421424165581523
EOS-3-10083,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)c(F)c1,FBPROKOCHOYOLI-UHFFFAOYSA-N,3,1,0.317,94,314,450.441,3.245,6,0.402,0.72,1.0,0.21714584332807896,0.3475001713384963,0.460103831128778,0.4603180042491947,0.371266962511137
EOS-3-10084,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3nncnc3-c3ccc(F)cc3)n12,YGHKUXUBHCITNB-UHFFFAOYSA-N,3,1,0.325,3,581,450.441,3.245,6,0.402,0.72,1.0,0.0872626961825783,0.23660132958673155,0.11407717085874855,0.25384654924268385,0.17294693646768555
EOS-3-10085,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3nccnc3-c3cccc(F)c3)n12,DDWCGWCHDGEKHN-UHFFFAOYSA-N,3,1,0.333,39,854,450.441,3.245,6,0.402,0.72,1.0,0.09235144952367898,0.18832670824480843,0.11727263381536564,0.2332859296826811,0.15780918031663355
EOS-3-10086,Fc1ccnc(-c2cnc(CCc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c1,QPOJUPHMZODOON-UHFFFAOYSA-N,3,1,0.403,14,81,431.862,4.221,5,0.414,0.77,1.0,0.49632478925364953,0.7496487560825166,0.5595229936262079,0.702599204989377,0.6270239359879377
EOS-3-10087,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccn4)n23)cc1,UKOLYOFFSLVMOR-UHFFFAOYSA-N,3,1,0.511,89,731,424.399,3.233,5,0.422,0.73,1.0,0.8438849290658625,0.8641028716331985,0.7322750325543143,0.6830580494825578,0.7808302206839832
EOS-3-10088,Cn1ncnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,DSISLYVDAXBIMB-UHFFFAOYSA-N,3,1,0.554,16,391,436.838,3.353,5,0.417,0.7,1.0,0.7189620313892126,0.8048454526763074,0.6197313412377493,0.6394181344664519,0.6957392399424303
EOS-3-10089,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)nn1C,SLWMNEKQIUWLGI-UHFFFAOYSA-N,3,1,0.595,95,493,434.891,3.2,5,0.408,0.74,1.0,0.31646220272770886,0.2725310122678363,0.1979730655883764,0.2597662942910013,0.26168314371873075
EOS-3-10090,COc1cccc(COc2cncc3nnc(-c4cc(F)cc(-c5cnc(C)cn5)c4)n23)c1,TZCNFIZKPHROOL-UHFFFAOYSA-N,3,1,0.5,97,439,442.454,4.283,5,0.388,0.8,1.0,0.8342043040230279,0.7453909944486328,0.7634843396614351,0.6366595846754849,0.7449348057021451
EOS-3-10091,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)cn1,SKLMPQBDZBEJKM-UHFFFAOYSA-N,3,1,0.35,22,997,415.392,1.933,5,0.477,0.78,1.0,0.028527859639503803,0.1437358645740525,0.18440305667877457,0.18707593722157495,0.13593567952847646
EOS-3-10092,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccncn5)s4)n23)c1,PCVDQYKOVJAYJS-UHFFFAOYSA-N,3,1,0.262,76,272,438.48,3.167,6,0.412,0.71,1.0,0.09471592077307929,0.0904324583647454,0.10598142690699747,0.14451545473236926,0.10891131519429785
EOS-3-10093,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)nn1,IBUAAWRGIBZJMC-UHFFFAOYSA-N,3,1,0.415,53,88,431.847,2.708,5,0.4,0.69,1.0,0.5039150846412171,0.5352614625454047,0.17137276403262286,0.22740045233363032,0.35948744088821877
EOS-3-10094,Cc1nc(C(=O)NC2CC2)ccc1-c1cncc2nnc(-c3ccc(-c4ccsc4)cn3)n12,XGAXBRNALRFYRN-UHFFFAOYSA-N,3,1,0.304,82,523,453.531,4.177,6,0.429,0.75,0.993,0.05937735590432458,0.027893907203070386,0.0889161126721952,0.1351946405318347,0.0778455040778562
EOS-3-10095,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)nc3)n12,IGCKGWKAYZFMIJ-UHFFFAOYSA-N,3,1,0.383,30,220,448.465,4.455,6,0.396,0.83,1.0,0.10954526763073127,0.3033291069837571,0.3912942910013022,0.5038379823178671,0.3270016619834144
EOS-3-10096,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cc4)nc3)n12,RKGSXNKCQMTTMY-UHFFFAOYSA-N,3,1,0.354,30,220,448.465,4.455,6,0.396,0.83,1.0,0.15632924405455417,0.33759680625042837,0.4059522993626208,0.5140668905489686,0.353486310054143
EOS-3-10097,OCc1cccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,AOBLBYJJYARIJY-UHFFFAOYSA-N,3,1,0.517,4,534,445.87,3.368,5,0.423,0.7,0.999,0.6913851004043589,0.880594201905284,0.5662737303817422,0.5886334041532452,0.6817216092111577
EOS-3-10098,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)cc1,WCVXYHGTIZREMP-UHFFFAOYSA-N,3,1,0.325,64,365,436.41,4.104,6,0.406,0.8,0.991,0.24743848947981634,0.2983602905900898,0.2948135837159893,0.42555342334315677,0.31654144678226304
EOS-3-10099,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4nc(-c5ccccc5)no4)n23)c1,CMVKEQKPEZZQDW-UHFFFAOYSA-N,3,1,0.387,30,203,436.41,4.104,6,0.406,0.8,1.0,0.2902131450894387,0.3522462476869303,0.365019532588582,0.4786255225824138,0.3715261119868412
EOS-3-10100,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnc(F)cn5)c4)n23)cc1,SUBOPYDRALJUBH-UHFFFAOYSA-N,3,1,0.398,14,319,471.471,3.867,5,0.404,0.77,1.0,0.35484202590638064,0.27758549790967035,0.6522171201425536,0.5667106435473922,0.4628388218764993
EOS-3-10101,Cc1cccc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,USLRYKRYYIQARD-UHFFFAOYSA-N,3,1,0.318,52,295,449.478,2.906,6,0.434,0.66,0.807,0.12314097731478309,0.01739085737783565,0.04911417997395655,0.0697519018573093,0.06484947913097114
EOS-3-10102,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2F)cn1,FVKUMDZJKPVAQA-UHFFFAOYSA-N,3,1,0.512,20,846,432.394,2.938,5,0.403,0.71,1.0,0.8749571653759166,0.8886299773833185,0.5394935234048386,0.5341134946199713,0.7092985401960112
EOS-3-10103,Fc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3cccnc3-c3ccsc3)n12,JCWAIGLMIRWXOB-UHFFFAOYSA-N,3,1,0.318,42,693,441.455,3.901,6,0.442,0.7,1.0,0.29844595983825645,0.3425656226440957,0.44956651360427663,0.5204920841614694,0.4027675450620245
EOS-3-10104,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ccc4F)n23)cc1,PKGCWTLHCDBLSG-UHFFFAOYSA-N,3,1,0.548,89,293,473.443,3.465,5,0.402,0.79,1.0,0.8459923925707628,0.48955691864848194,0.6877527242820917,0.5667192104722089,0.6475053114933863
EOS-3-10105,Cn1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c2)n1,WKLJJERUNZLLJB-UHFFFAOYSA-N,3,1,0.289,98,608,434.427,1.896,6,0.404,0.69,1.0,0.0705229250908094,0.05487972037557398,0.05651600301555754,0.06797854842025906,0.06247429922554999
EOS-3-10106,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1,GFMFWBYDKQFDMO-UHFFFAOYSA-N,3,1,0.31,39,144,453.416,3.774,6,0.401,0.75,0.919,0.034550407785621275,0.1592505654170379,0.46359056952916183,0.6068638201631142,0.31606384072373384
EOS-3-10107,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5cc(F)ccn5)ccn4)n23)c1,BMRKAZXGTPHBKY-UHFFFAOYSA-N,3,1,0.54,11,159,430.418,4.148,5,0.403,0.77,1.0,0.7096754848879446,0.5829278322253444,0.8031577684874237,0.8181755876910424,0.7284841683229388
EOS-3-10108,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ncn2)c1,XXGXDVVGTDBVRF-UHFFFAOYSA-N,3,1,0.388,44,238,430.859,3.579,5,0.416,0.72,0.982,0.4688163936673292,0.4763638544308135,0.3727468987732164,0.40011822356247,0.4295113426084573
EOS-3-10109,Cc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nc1,UHNXQIVQQIEFMQ-UHFFFAOYSA-N,3,1,0.472,46,128,430.859,3.579,5,0.416,0.72,1.0,0.5550938934959907,0.7220461243232129,0.32771914193681034,0.33644883832499484,0.4853269995202522
EOS-3-10111,c1ccc(-c2ccc(-c3nnc4cncc(-c5nccc(-c6ccccn6)n5)n34)cn2)cc1,KASUVFQOJYHOOD-UHFFFAOYSA-N,3,1,0.311,30,93,428.459,4.372,6,0.411,0.81,1.0,0.1257710232335001,0.12239565485573299,0.3501987526557467,0.4096789116578713,0.2520110856007127
EOS-3-10112,Cn1nc(-c2cccc(F)c2)nc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,DVBLMHLEXWHHOW-UHFFFAOYSA-N,3,1,0.415,61,316,414.404,2.492,5,0.483,0.79,1.0,0.08075183332191077,0.20203378795147695,0.204997943938044,0.2242135563018299,0.1779992803783154
EOS-3-10113,Fc1ccc(-c2ncnnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,CVOLBCIBEZUFTJ-UHFFFAOYSA-N,3,1,0.597,34,372,433.834,4.015,5,0.413,0.77,1.0,0.9114008635460216,0.9590158316770612,0.6685970803920225,0.7807638270166541,0.8299444006579398
EOS-3-10114,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cn5)n34)nn2)n1,OVEYMQVVTBGEGO-UHFFFAOYSA-N,3,1,0.333,10,541,451.429,2.64,6,0.398,0.72,0.684,0.09008121444726201,0.1972020423548763,0.14622883969570283,0.23917997395654855,0.16817301761359743
EOS-3-10115,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)cn2)n1,PYBVCMAINHBNDZ-UHFFFAOYSA-N,3,1,0.522,89,398,472.484,2.865,5,0.37,0.79,1.0,0.3164707696525255,0.08075183332191077,0.27250531149338636,0.1494585703515866,0.2047966212048523
EOS-3-10116,Cn1nnnc1-c1ccc(Cc2cncc3nnc(-c4cccnc4-c4cnccn4)n23)cc1,SYPKLOYUWOUVRX-UHFFFAOYSA-N,3,1,0.323,98,213,447.466,2.425,6,0.392,0.7,1.0,0.17805496538962373,0.09977897333972997,0.08892467959701186,0.11051333013501473,0.11931798711534508
EOS-3-10117,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4)n23)o1,XADNMITWQIAQQC-UHFFFAOYSA-N,3,1,0.333,10,541,425.387,3.433,6,0.456,0.73,0.402,0.21987869234459598,0.35225481461174696,0.2912497429922555,0.3587913782468645,0.3055436570488657
EOS-3-10118,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnnn6C)c5)n34)cc2)n1,VAQBDXJOYIKDCY-UHFFFAOYSA-N,3,1,0.295,98,213,437.427,2.402,6,0.404,0.71,1.0,0.11211534507573162,0.09044102528956206,0.06439757384689192,0.06798711534507573,0.08373526488931533
EOS-3-10119,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)nc5)n4)n23)cc1,XWJMZSZOCHGGDF-UHFFFAOYSA-N,3,1,0.315,8,890,440.406,1.764,6,0.376,0.72,1.0,0.029581591391953946,0.15925913234185457,0.07502912754437667,0.11304913988074841,0.09422974778973339
EOS-3-10120,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)cc1=O,LZECRSQEIKPGEO-UHFFFAOYSA-N,3,1,0.494,43,521,462.872,3.924,5,0.393,0.79,1.0,0.6547700637379207,0.6018007675964636,0.8013501473511069,0.8118874648756083,0.7174521108902748
EOS-3-10121,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ncn2)c1,MOUSWWABYRSRGL-UHFFFAOYSA-N,3,1,0.415,44,488,435.369,3.64,5,0.416,0.73,0.287,0.8061304913988074,0.6887636214104585,0.8782725652799671,0.8766876841888835,0.8124635905695292
EOS-3-10122,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nc1,PNJZYBHYRCLONZ-UHFFFAOYSA-N,3,1,0.306,98,356,451.429,2.64,6,0.398,0.69,0.99,0.15895072304845453,0.272539579192653,0.15869371530395449,0.244868412034816,0.2087631073949695
EOS-3-10123,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5F)n34)nc2)n1,OCUCFGDLNYNNKA-UHFFFAOYSA-N,3,1,0.313,98,608,451.429,2.64,6,0.398,0.69,1.0,0.19500890960180933,0.3033376739085738,0.187538551161675,0.21859365362209582,0.2261196970735385
EOS-3-10124,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)nn1,HMLUHUGJRKNQRN-UHFFFAOYSA-N,3,1,0.593,43,96,435.85,3.958,5,0.415,0.76,1.0,0.7520817627304502,0.8579089849907477,0.7969467479953396,0.8074155301213076,0.8035882564594613
EOS-3-10125,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1,PGKJEAVVALQWJJ-UHFFFAOYSA-N,3,1,0.358,38,983,432.451,3.106,6,0.418,0.69,1.0,0.07053149201562607,0.03391645534918786,0.2580871770269344,0.24785826879583306,0.15259834829689534
EOS-3-10126,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5)ncn4)n23)cc1,IJXGENKJSHNDOE-UHFFFAOYSA-N,3,1,0.311,38,882,432.451,3.106,6,0.418,0.69,1.0,0.06115927626619149,0.027902474127887055,0.25809574395175106,0.2538551161675005,0.15025315262833253
EOS-3-10127,Cc1cc(CCc2cncc3nnc(-c4cccc(-c5cnc(C)cn5)c4)n23)[nH]c(=O)c1,NNKQBPVETNHXBK-UHFFFAOYSA-N,3,1,0.379,14,886,423.48,3.339,5,0.465,0.73,1.0,0.12577959015831677,0.10321431019121376,0.3168991158933589,0.27771400178192035,0.20590175450620246
EOS-3-10128,CC(C)(O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(F)cn5)cn4)n23)cn1,CCPYBCCFIWSIPW-UHFFFAOYSA-N,3,1,0.432,86,845,429.419,2.467,5,0.458,0.66,1.0,0.3085720649715578,0.44099102186279215,0.45668562812692753,0.28363374683023784,0.37247061544787885
EOS-3-10129,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(C)nn5)c4)n23)cc1,CWNSKZGYKVXECW-UHFFFAOYSA-N,3,1,0.534,89,656,453.466,2.285,5,0.411,0.69,1.0,0.47651805907751354,0.147488177643753,0.16187204441093825,0.07563737920636009,0.21537891508464121
EOS-3-10130,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnn5)n4)n23)cc1Cl,SBALHGBWRNLBOQ-UHFFFAOYSA-N,3,1,0.489,73,756,452.265,3.319,5,0.396,0.73,1.0,0.8089061750394079,0.909815982454938,0.43894352683160853,0.5536203824275238,0.6778215166883695
EOS-3-10131,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ncc(Cl)cn5)ccn4)n23)nn1,JEEGZBUPWUSJFF-UHFFFAOYSA-N,3,1,0.433,46,949,435.81,2.805,5,0.41,0.68,1.0,0.5473922280858063,0.5352700294702214,0.29482215064080597,0.342659858817079,0.43003606675347816
EOS-3-10132,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2C)nc1,SLTGIGWAOVJSLS-UHFFFAOYSA-N,3,1,0.568,36,32,432.875,3.523,5,0.419,0.76,1.0,0.527028647796587,0.6935353985333425,0.24388321568089918,0.2836423137550545,0.4370223939414708
EOS-3-10133,Cc1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)n1,ITFMNSZPGFOQCG-UHFFFAOYSA-N,3,1,0.311,98,882,447.466,2.809,6,0.401,0.69,1.0,0.06289836200397506,0.033925022274004527,0.11121581796998149,0.1040538688232472,0.07802326776780207
EOS-3-10134,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)nc1,HTWXZZXWWNCYGJ-UHFFFAOYSA-N,3,1,0.293,99,286,436.443,1.839,6,0.406,0.67,1.0,0.09712322664656295,0.05097320265917346,0.04106983757110547,0.038602563223905144,0.05694220752518676
EOS-3-10135,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)nc1,HAYWHXUYXKKTBE-UHFFFAOYSA-N,3,1,0.312,99,259,436.443,1.839,6,0.406,0.67,1.0,0.10955383455554794,0.06268418888355835,0.04254334863957234,0.04351997806867247,0.06457533753683778
EOS-3-10136,COc1nc(-c2cnno2)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,QSQMMZJHYKJLMF-UHFFFAOYSA-N,3,1,0.327,52,295,455.438,2.199,6,0.404,0.75,1.0,0.27918751285038723,0.08745973545336166,0.03419916386813789,0.030078473031320677,0.10773122130080186
EOS-3-10137,CNC(=O)c1ccc(-c2nnc3cncc(COCc4csc(-c5ccccc5)n4)n23)cc1,QQULPUXWLNLBCI-UHFFFAOYSA-N,3,1,0.433,62,347,456.531,3.991,5,0.398,0.78,1.0,0.32378692344595983,0.1756133918168734,0.2766345692550202,0.18989445548625866,0.24148233500102806
EOS-3-10138,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncn(C)n5)ncn4)n23)cc1F,PHFMMCYNKUAUPX-UHFFFAOYSA-N,3,1,0.459,36,463,460.433,1.454,5,0.399,0.7,0.998,0.42012199300938935,0.37147042697553284,0.11998834898224933,0.0679956822698924,0.24489411280926598
EOS-3-10139,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)nc1,HVKBJPGTCKIVOD-UHFFFAOYSA-N,3,1,0.435,33,457,409.837,2.563,4,0.521,0.86,0.998,0.3871564663148516,0.29836885751490644,0.19087965184017544,0.14946713727640326,0.2564680282365842
EOS-3-10140,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)nc2)o1,SKOPZHKCBNQERW-UHFFFAOYSA-N,3,1,0.282,98,219,453.441,3.751,6,0.397,0.75,0.942,0.15091494757042012,0.2827941881982044,0.37668768418888354,0.3969570283051196,0.3018384620656569
EOS-3-10141,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cncn1C,YPJGPHZWLGHONX-UHFFFAOYSA-N,3,1,0.489,13,209,434.406,4.271,5,0.411,0.78,1.0,0.7096840518127613,0.577702008087177,0.8810482489205674,0.8010246042080734,0.7423647282571447
EOS-3-10142,Clc1ccc(-c2nnc3cncc(OCc4cn(-c5ncc(Cl)cn5)nn4)n23)cc1,URAYMPYIWSJXCE-UHFFFAOYSA-N,3,1,0.556,73,32,440.254,3.048,5,0.41,0.73,1.0,0.34110924542526216,0.582936399150161,0.22576416969364677,0.40012679048728667,0.3874841511890892
EOS-3-10143,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cn2)nc1,FTGDPXCSJWHCRW-UHFFFAOYSA-N,3,1,0.298,86,812,448.454,2.204,6,0.394,0.7,1.0,0.10461071893633062,0.08076040024672744,0.04107840449592214,0.04228634089507231,0.06718396614351313
EOS-3-10144,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)n[nH]1,ANXBVTOAGRZFDW-UHFFFAOYSA-N,3,1,0.439,87,779,434.851,2.345,5,0.427,0.73,1.0,0.5114282777054349,0.5677301076005757,0.07503769446919334,0.09372215749434583,0.31197955931738747
EOS-3-10145,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nn2)c1,QRDBUTANBRCLMJ-UHFFFAOYSA-N,3,1,0.391,32,20,446.449,4.511,6,0.393,0.82,0.999,0.2060859433897608,0.37147899390034955,0.6607497772599548,0.7111489959564115,0.4873659276266192
EOS-3-10146,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5csnn5)cnn4)n23)cc1,KKTGAAACAUIQAV-UHFFFAOYSA-N,3,1,0.432,89,398,471.506,2.571,6,0.38,0.8,1.0,0.17806353231444041,0.11896888492906586,0.056524569940374206,0.06976046878212597,0.10582936399150161
EOS-3-10147,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n(C)n2)cn1,IPRFUCYBVIGCOQ-UHFFFAOYSA-N,3,1,0.482,36,404,437.414,2.837,5,0.403,0.74,1.0,0.4087536837776712,0.4632821602357618,0.33150572270577755,0.29861729833458983,0.3755397162634501
EOS-3-10148,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cc1F,YQAUWPADAKMTCN-UHFFFAOYSA-N,3,1,0.35,32,693,449.453,3.85,6,0.403,0.74,1.0,0.20897299705297787,0.31345521211705846,0.46733431567404565,0.4818038516893976,0.3678915941333699
EOS-3-10149,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(C)nc5)c(F)cc4F)n23)cc1C,QOXWEHCFVURSCW-UHFFFAOYSA-N,3,1,0.333,96,648,471.471,4.17,5,0.423,0.81,1.0,0.31124494551435816,0.2366098965115482,0.754386265506134,0.6334726886436844,0.4839284490439312
EOS-3-10150,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1Cl,QTSPOMNXVFWNON-UHFFFAOYSA-N,3,1,0.61,35,393,431.887,3.862,5,0.406,0.74,1.0,0.7694897539579193,0.7220546912480296,0.6579398259200877,0.6394267013912686,0.6972277431293262
EOS-3-10151,Cc1csc(-c2cnncc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,ZKCBJIKPCCZMDG-UHFFFAOYSA-N,3,1,0.33,52,582,454.519,3.572,6,0.432,0.72,1.0,0.10212631073949695,0.05883763964087451,0.07721369337262696,0.09981324103899664,0.08449772119799875
EOS-3-10152,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NCC(F)F)cc5)n34)nc2)cn1,DYBRRBIABSPZMH-UHFFFAOYSA-N,3,1,0.318,74,523,472.459,3.614,5,0.402,0.8,1.0,0.17807209923925707,0.10970803920224796,0.5730758686861764,0.44138510040435885,0.32556027688301004
EOS-3-10153,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cc1,UDBRZNQEZQTFHD-UHFFFAOYSA-N,3,1,0.293,98,725,434.467,3.049,6,0.42,0.69,1.0,0.10213487766431362,0.03682920978685491,0.2294822150640806,0.20411555068192722,0.14314046329929409
EOS-3-10154,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cn1,LCOUHVMORJIYAU-UHFFFAOYSA-N,3,1,0.444,92,617,433.863,2.918,5,0.416,0.75,1.0,0.38251319306421766,0.4455486258652594,0.19088821876499212,0.17901446096909054,0.2994911246658899
EOS-3-10155,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)nn1,QDIPMEWETLWIAT-UHFFFAOYSA-N,3,1,0.511,43,630,431.406,3.809,5,0.418,0.74,1.0,0.8219450346103763,0.7496573230073333,0.7611884038105682,0.7351620862175313,0.7669882119114523
EOS-3-10156,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)c5)nn4)n23)nc1,PONPOQCUQMTSFR-UHFFFAOYSA-N,3,1,0.489,19,691,427.443,3.712,5,0.408,0.77,1.0,0.6795027756836406,0.6641765471866219,0.4311561921732575,0.4478616955657597,0.5556743026523199
EOS-3-10157,c1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccncc6)cn5)n34)cc2)nc1,GCHDWBVAKFWVLJ-UHFFFAOYSA-N,3,1,0.368,42,608,429.447,3.767,6,0.417,0.74,1.0,0.13699369474333492,0.15548111849770407,0.40225995476663695,0.39696559522993624,0.272925090809403
EOS-3-10158,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc(F)n2)n1,YXNLVJAFICWJKE-UHFFFAOYSA-N,3,1,0.506,36,258,446.406,1.194,5,0.379,0.72,1.0,0.5716794599410595,0.2934600095949558,0.10875711054759783,0.07364985264889315,0.2618866081831266
EOS-3-10159,CCOC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5F)c4)n23)nc1,NRSBSKGRCIZNCB-UHFFFAOYSA-N,3,1,0.299,74,246,429.415,3.355,5,0.395,0.78,0.941,0.049242683846206566,0.11897745185388253,0.38414090877938456,0.33645740524981155,0.2222046124323213
EOS-3-10160,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)ccn1,VYVXIYYYAYRRMD-UHFFFAOYSA-N,3,1,0.566,16,391,436.838,3.353,5,0.417,0.71,1.0,0.7549174148447674,0.8278476458090603,0.5628041258309917,0.5948358577205126,0.6851012610513331
EOS-3-10161,N#Cc1ncc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)cn1,HDMCHWZJWKJTMA-UHFFFAOYSA-N,3,1,0.456,44,488,441.842,3.142,5,0.404,0.7,0.996,0.7034216297717771,0.7360787471729148,0.49131313823589884,0.5205006510862861,0.6128285415667192
EOS-3-10162,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nn1,RBOBGEWRJOQGJQ-UHFFFAOYSA-N,3,1,0.484,87,779,431.847,2.708,5,0.4,0.71,1.0,0.6517288054280036,0.8084778287985744,0.13119388664245082,0.1679288602563224,0.43983234528133786
EOS-3-10163,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncnnc4-c4ccccc4)n23)cc1,PMEQCKFPSXSJPM-UHFFFAOYSA-N,3,1,0.329,30,543,448.425,3.301,6,0.4,0.7,1.0,0.20609451031457748,0.26739085737783563,0.22949078198889727,0.39395860461928583,0.27423368857514907
EOS-3-10164,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)n2)cc1,HZGPLLDJBJBSJS-UHFFFAOYSA-N,3,1,0.354,30,543,448.425,3.301,6,0.4,0.7,0.996,0.25777876773353436,0.35731786717839764,0.19089678568980878,0.317438832156809,0.28085806318963746
EOS-3-10165,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)cc1,FFGJRZVNLMWHEK-UHFFFAOYSA-N,3,1,0.351,10,705,435.426,3.635,6,0.417,0.72,0.998,0.032006031115070936,0.17982831882667397,0.4739736824069632,0.5404958536083887,0.3065759714892742
EOS-3-10166,Cc1cc(CCOc2cncc3nnc(-c4cc(-c5cccc(F)c5)n(C)n4)n23)ccn1,OSKSCEQKNWTUGD-UHFFFAOYSA-N,3,1,0.533,95,54,429.459,3.656,5,0.41,0.84,0.999,0.3980021931327531,0.3618497704064149,0.4635991364539785,0.4379668974025084,0.4153544993489137
EOS-3-10167,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5conn5)c4)n23)nc1,OEJBGSXNXZMSHQ-UHFFFAOYSA-N,3,1,0.43,54,348,432.375,2.053,5,0.426,0.71,1.0,0.43366630114454113,0.21147453909944486,0.3613357549174148,0.2954732369268727,0.32548745802206835
EOS-3-10168,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)cn1,CVIOXEAVSWRZHK-UHFFFAOYSA-N,3,1,0.301,99,968,436.443,1.839,6,0.406,0.68,1.0,0.12578815708313343,0.06269275580837502,0.03820848468233843,0.03734322527585498,0.06600815571242546
EOS-3-10169,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)ncn2)nn1,XFFOTFAEOHHNIH-UHFFFAOYSA-N,3,1,0.319,98,882,436.443,1.839,6,0.406,0.68,1.0,0.028536426564320472,0.018975738468919198,0.06844116236035913,0.061476252484408196,0.04435739496950175
EOS-3-10170,Clc1cc(-c2cncnc2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,ZMGRIKIFCABZCO-UHFFFAOYSA-N,3,1,0.625,35,393,429.871,3.918,5,0.404,0.75,1.0,0.7034301966965938,0.8241553012130766,0.6987183880474265,0.7111575628812281,0.7343653622095812
EOS-3-10171,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(C#N)n6C)cc5)n34)cn2)cn1,WSYRNEBWXNEGSY-UHFFFAOYSA-N,3,1,0.286,98,150,446.478,3.255,6,0.411,0.71,1.0,0.024929751216503326,0.09044959221437873,0.5824395175107944,0.5002227400452334,0.2995104002467275
EOS-3-10172,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)cc1,GRRBAVOMIRWNRF-UHFFFAOYSA-N,3,1,0.333,64,449,437.398,3.499,6,0.408,0.73,1.0,0.3433280789527791,0.3573264341032143,0.3021297375094236,0.3878332533753684,0.34765437598519633
EOS-3-10173,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccncn6)c5)n34)cn2)c1,GQHCZSRHAJVMOB-UHFFFAOYSA-N,3,1,0.3,86,151,436.414,3.03,6,0.414,0.68,0.993,0.02287368926050305,0.1363083407580015,0.45669419505174425,0.46967308614899594,0.2713873278048112
EOS-3-10174,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)nn1,GJXOFJBKVSQCMX-UHFFFAOYSA-N,3,1,0.298,10,37,436.414,3.03,6,0.414,0.68,1.0,0.012850387225001713,0.12937769858131726,0.272513878418203,0.34589815639777943,0.19016003015557537
EOS-3-10175,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccc5F)ncn4)n23)nc1,NCIWDQHUXRPRNO-UHFFFAOYSA-N,3,1,0.388,44,267,474.431,2.86,5,0.399,0.76,0.997,0.5188986361455692,0.34257418956891234,0.5225567130422863,0.435268316085258,0.45482446371050644
EOS-3-10176,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]cn5)cc4)n23)nc1,MELUSRPMHBSVQI-UHFFFAOYSA-N,3,1,0.267,52,523,422.452,3.136,6,0.45,0.78,1.0,0.09472448769789596,0.05488828730039065,0.15543828387362071,0.21860222054691247,0.13091331985470495
EOS-3-10177,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccn5C)c4)n23)nc1,WWNLODALRABOAW-UHFFFAOYSA-N,3,1,0.378,33,346,441.455,1.92,5,0.424,0.69,1.0,0.3664073744088822,0.09675484887944623,0.13411520800493454,0.057055719279007606,0.16358328764306765
EOS-3-10178,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)ccc1Cl,BGQBAXCFCMJATK-UHFFFAOYSA-N,3,1,0.529,16,389,430.815,3.34,5,0.412,0.74,1.0,0.8164536358028922,0.8547906243574807,0.6607583441847714,0.6536906312110204,0.7464233088890412
EOS-3-10179,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)cnn4)n23)cc1,DBLGCTDBRLJWMW-UHFFFAOYSA-N,3,1,0.523,16,82,425.387,2.628,5,0.417,0.72,1.0,0.8089147419642245,0.834975327256528,0.5050716194914674,0.50023130697005,0.6622982489205675
EOS-3-10180,Cc1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)cc1Br,CTFZFOJIDBOAJP-UHFFFAOYSA-N,3,1,0.382,66,225,430.256,4.786,4,0.468,0.77,1.0,0.42244362963470633,0.5035552737989172,0.945043177301076,0.9266071550956069,0.6994123089575766
EOS-3-10181,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)n2)n1,WRISKKARMAHFSH-UHFFFAOYSA-N,3,1,0.318,76,507,451.429,2.64,6,0.398,0.7,0.964,0.16701219930093894,0.26739942430265234,0.13412377492975122,0.21308512096497842,0.19540512987458025
EOS-3-10182,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cncc(F)c4)n23)nc1,BKYQPKDJAXNXMC-UHFFFAOYSA-N,3,1,0.272,86,968,452.417,2.035,6,0.39,0.69,1.0,0.257787334658351,0.28280275512302105,0.11122438489479816,0.1652902474127887,0.20427618052223973
EOS-3-10183,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)cc2)cn1,WYXVLMPTGWDUBZ-UHFFFAOYSA-N,3,1,0.284,64,495,431.463,3.711,6,0.419,0.74,1.0,0.04617572476183949,0.03393358919882119,0.2985744637105065,0.32345281337810977,0.17553414776231924
EOS-3-10184,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cn1,AIBFVGPUOIVHAM-UHFFFAOYSA-N,3,1,0.323,70,392,431.463,3.711,6,0.419,0.74,1.0,0.10956240148036461,0.08076896717154411,0.40596086628743744,0.38145089438695085,0.24443578233157426
EOS-3-10185,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1,GFJQPXIKYSRGRQ-UHFFFAOYSA-N,3,1,0.324,9,642,431.463,3.711,6,0.419,0.74,1.0,0.09473305462271263,0.04016174354053869,0.46360770337879514,0.4728771160304297,0.26784490439311903
EOS-3-10186,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)cn2)c1F,ONSAXZPACQLWHM-UHFFFAOYSA-N,3,1,0.273,76,387,455.392,2.769,6,0.425,0.64,0.962,0.2171544102528956,0.2569135083270509,0.36502809951339865,0.4603265711740114,0.32485564731683914
EOS-3-10187,CNCc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc(C(F)(F)F)c1,PBSPUUSAXDUUNU-UHFFFAOYSA-N,3,1,0.396,0,264,480.494,4.013,5,0.418,0.86,1.0,0.40224282091700364,0.31867246933040916,0.8915855664450689,0.8142605030498252,0.6066903399355768
EOS-3-10188,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ncn1,AEGXHIJBDKVNMB-UHFFFAOYSA-N,3,1,0.511,89,463,427.428,1.66,5,0.432,0.69,1.0,0.35949386608183126,0.1259851963539168,0.15870228222877117,0.07365841957370982,0.17945994105955726
EOS-3-10189,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1F,DMWJMJIPRMCQIW-UHFFFAOYSA-N,3,1,0.326,10,289,438.43,2.974,6,0.417,0.67,1.0,0.05938592282914125,0.2366184634363649,0.22949934891371393,0.2986258652594065,0.20603240010965662
EOS-3-10190,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(-c5nnc6cccnn56)c4)n23)cc1,WRWBAMUUABQOCX-UHFFFAOYSA-N,3,1,0.309,52,582,474.488,2.85,7,0.404,0.78,1.0,0.11789801932698239,0.03394215612363786,0.060431087656774726,0.11543931190459873,0.08192764375299842
EOS-3-10191,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cc1,AMTCLKPUESRCDW-UHFFFAOYSA-N,3,1,0.358,9,98,433.479,3.654,6,0.421,0.73,1.0,0.12314954423959976,0.04017031046535536,0.342300047974779,0.31438043999725857,0.20500008566924816
EOS-3-10192,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)cc1,CYQFQSCMYQSPFO-UHFFFAOYSA-N,3,1,0.358,9,98,433.479,3.654,6,0.421,0.73,1.0,0.12315811116441643,0.04017887739017202,0.34230861489959563,0.3143890069220753,0.20500865259406484
EOS-3-10194,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cccnc5)n34)nc2)n1C,MWQQCSCUGZCVOB-UHFFFAOYSA-N,3,1,0.287,94,968,447.466,2.809,6,0.401,0.7,1.0,0.10714652868206428,0.05489685422520732,0.06440614077170859,0.07366698649852649,0.07502912754437667
EOS-3-10195,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,CGDRVZACXLZGBJ-UHFFFAOYSA-N,3,1,0.494,13,391,422.811,3.567,5,0.437,0.77,1.0,0.6765386196970735,0.8383421287094784,0.5696662326091426,0.6247087245562333,0.677313926392982
EOS-3-10196,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1)N1CC(F)(F)C1,IQVYFSVFJLSRIN-UHFFFAOYSA-N,3,1,0.33,52,821,470.443,3.401,6,0.397,0.8,0.968,0.2419299568226989,0.23175245014049756,0.28397642382290456,0.3844493180727846,0.2855270372147214
EOS-3-10197,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cc1F,WWVJZEXYDLBDBI-UHFFFAOYSA-N,3,1,0.341,98,581,450.441,3.245,6,0.402,0.7,1.0,0.21174868069357825,0.2983774244397231,0.26896717154410255,0.35531320677129735,0.28360162086217533
EOS-3-10198,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)c1,RTYRHAPMPBHNOS-UHFFFAOYSA-N,3,1,0.31,30,298,434.438,4.24,6,0.413,0.77,0.681,0.007890137756151052,0.14024055924885204,0.5124220409841683,0.6218559385922829,0.32060216914536355
EOS-3-10199,Cc1cnnc(-c2cc(Cl)cc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)n1,OPXAYWHLKPQSLT-UHFFFAOYSA-N,3,1,0.408,85,357,457.885,2.69,5,0.425,0.65,0.999,0.1697878829415393,0.18395757658830786,0.1554468507984374,0.16272873689260503,0.16798026180522238
EOS-3-10200,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cnn1,VMWRPDGHRNLULM-UHFFFAOYSA-N,3,1,0.548,36,659,437.826,2.748,5,0.413,0.69,1.0,0.7520903296552669,0.7961928586114728,0.40596943321225415,0.48181241861421426,0.609016260023302
EOS-3-10201,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)o5)nc(C)n4)n23)cn1,BWDKGIJIAOAHSV-UHFFFAOYSA-N,3,1,0.438,7,205,457.454,2.187,5,0.402,0.73,1.0,0.34333664587759577,0.14374443149886917,0.04582448084435611,0.011051333013501474,0.13598922280858064
EOS-3-10202,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1F,JZKLMHXELWTDPH-UHFFFAOYSA-N,3,1,0.261,39,972,454.404,3.169,6,0.399,0.7,1.0,0.01285895414981838,0.09045815913919539,0.46011239805359466,0.5503820848468234,0.2784528990473579
EOS-3-10203,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5cncc(F)c5)n4)n23)cc1,QQCWPDDVEIJLGR-UHFFFAOYSA-N,3,1,0.31,94,507,454.404,3.169,6,0.399,0.7,0.953,0.038919539442121856,0.18833527516962512,0.4389520937564252,0.547143787266123,0.3033376739085738
EOS-3-10204,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)s1,SVTLESFZXNGEED-UHFFFAOYSA-N,3,1,0.271,76,601,438.48,3.167,6,0.412,0.72,0.99,0.02959015831677061,0.05884620656569118,0.08641457062572819,0.13090261119868413,0.07643838667671853
EOS-3-10205,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)c1,RBJOMVBZBKUUGA-UHFFFAOYSA-N,3,1,0.314,10,871,436.414,3.03,6,0.414,0.69,0.634,0.02607771914193681,0.17108148858885613,0.30571071208279077,0.3718987732163663,0.21869217325748752
EOS-3-10206,Fc1ccccc1-c1nnc2cncc(-c3ccc(-c4nnnn4-c4cccnc4)cn3)n12,DCEIZOXOZZFDHA-UHFFFAOYSA-N,3,1,0.383,10,705,436.414,3.03,6,0.414,0.69,1.0,0.043314371873072445,0.26225070248783494,0.3021383044342403,0.40968747858268795,0.2543477143444589
EOS-3-10207,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cn1,XKQATFLUIGYXCR-UHFFFAOYSA-N,3,1,0.288,10,952,421.428,2.23,6,0.425,0.76,0.814,0.021665752861352888,0.023250633952436435,0.039579192653005274,0.05151291892262354,0.034002124597354536
EOS-3-10208,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cccnc4-c4cnccn4)n23)cc1Cl,FYCJHHCVEZDKDO-UHFFFAOYSA-N,3,1,0.308,74,517,468.908,3.856,6,0.417,0.75,1.0,0.12029675827564937,0.2268693029949969,0.21874785826879584,0.3655335480775821,0.23286186690425606
EOS-3-10209,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccccc5F)n4)n23)cc1,IXHHHBMYKULHSX-UHFFFAOYSA-N,3,1,0.314,10,118,453.416,3.774,6,0.401,0.73,0.799,0.057578301692824345,0.24199849222123226,0.5294445205948872,0.6536991981358372,0.3706801281611952
EOS-3-10210,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)c(F)c1,HNISUGLFNLUIDZ-UHFFFAOYSA-N,3,1,0.294,39,144,453.416,3.774,6,0.401,0.73,0.711,0.040453018984305394,0.15147179768350352,0.4126859022685217,0.55039065177164,0.2887503426769926
EOS-3-10211,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cncn5)nc4C)n23)cn1,WXHNJZGATCCCGK-UHFFFAOYSA-N,3,1,0.438,92,185,442.443,1.409,5,0.413,0.69,1.0,0.3289956137344939,0.15548968542252073,0.05838359262559112,0.018436022205469124,0.1403262284970187
EOS-3-10212,CCNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cncnc5)nn4)n23)cc1,HGLRSWGKABEJLT-UHFFFAOYSA-N,3,1,0.396,52,886,451.494,2.573,5,0.4,0.69,1.0,0.07851586594476047,0.03395072304845453,0.09336234665204578,0.05846069494894113,0.06607240764855048
EOS-3-10213,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,SUHKQZQHZZAWFL-UHFFFAOYSA-N,3,1,0.362,93,774,430.475,4.316,6,0.414,0.82,1.0,0.1616750051401549,0.09363648824617915,0.4532674251250771,0.5103060105544514,0.30472123226646564
EOS-3-10215,O=C(NC1CCOC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)nc1,UKGKDGDZEWQLNU-UHFFFAOYSA-N,3,1,0.33,66,505,470.415,2.105,5,0.471,0.63,1.0,0.21429305736412857,0.1064783085463642,0.36134432184223153,0.2954818038516894,0.24439937290110342
EOS-3-10216,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5cccnn5)[nH]4)n23)c1,XNLSTDSNKDBJBN-UHFFFAOYSA-N,3,1,0.326,10,407,437.402,2.63,6,0.441,0.65,0.365,0.2117572476183949,0.28809711465972176,0.1944863271879926,0.30510246042080735,0.24986078747172916
EOS-3-10217,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncn(-c5cncn5C)n4)n23)cc1,MJRAJHUYBASUBF-UHFFFAOYSA-N,3,1,0.447,36,926,430.432,1.044,5,0.423,0.7,1.0,0.21176581454321156,0.1189860187786992,0.04108697142073881,0.01383558357891851,0.09641859708039202
EOS-3-10218,Cc1nnc(-c2cc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)no2)n1C,XLGKVPBMGVSIRS-UHFFFAOYSA-N,3,1,0.318,94,507,454.429,3.146,6,0.395,0.74,0.969,0.20898156397779452,0.2828113220478377,0.10598999383181414,0.17061030772393943,0.19209829689534647
EOS-3-10219,COc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,IMMFTRIALVHBAA-UHFFFAOYSA-N,3,1,0.511,20,658,428.456,2.612,5,0.39,0.75,1.0,0.3640000685353985,0.09046672606401206,0.25810431087656777,0.14704269755328628,0.21490345075731615
EOS-3-10220,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)cn2)cn1,XHUKSMVGRPRIEO-UHFFFAOYSA-N,3,1,0.298,86,812,434.467,3.049,6,0.42,0.7,1.0,0.04758070043177301,0.04018744431498869,0.24737852100609964,0.20090295387567678,0.13401240490713454
EOS-3-10221,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)nn1,VLOJETVVWNJDDW-UHFFFAOYSA-N,3,1,0.38,85,476,435.373,3.043,5,0.424,0.68,0.99,0.33390446165444454,0.39039476389555205,0.7295593173874306,0.6035912548831471,0.5143624494551436
EOS-3-10222,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)cc1,JXKZXYFRVPXIFE-UHFFFAOYSA-N,3,1,0.538,73,210,433.834,4.015,5,0.413,0.73,1.0,0.855167569049414,0.8241638681378932,0.6579483928449044,0.7190219998629293,0.7640754574737851
EOS-3-10223,Cc1ccc(-c2nc(CF)oc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nc1,OGSIRMLLQOZOTO-UHFFFAOYSA-N,3,1,0.381,62,139,429.415,3.385,5,0.454,0.68,1.0,0.2419385237475156,0.17983688575149065,0.20500651086286067,0.1546244260160373,0.19535158659447607
EOS-3-10224,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nn[nH]n6)n5)n34)nc2)ccn1,CMPWDJZPGPQMGV-UHFFFAOYSA-N,3,1,0.257,86,652,434.427,2.194,6,0.437,0.67,0.395,0.06453464464395861,0.0967634158042629,0.09826262764717977,0.11305770680556508,0.0931545987252416
EOS-3-10225,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)n1,SLJLTQDIUXTTOL-UHFFFAOYSA-N,3,1,0.308,25,791,445.49,4.019,6,0.404,0.76,1.0,0.06290692892879172,0.05885477349050785,0.32052292509080943,0.3426684257418957,0.19623826331300118
EOS-3-10226,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccncc6)cn5)n34)cc2)n1C,DJUBYXIVTDTIGC-UHFFFAOYSA-N,3,1,0.318,42,106,445.49,4.019,6,0.404,0.76,1.0,0.09713179357137962,0.05098176958399013,0.3540024672743472,0.31439757384689193,0.20412840106915223
EOS-3-10227,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccn6)nn5)n34)cc2)n1C,DAJZRYDVIBAMEI-UHFFFAOYSA-N,3,1,0.36,98,620,434.467,3.143,6,0.42,0.71,1.0,0.0105116167500514,0.02791104105270372,0.17138133095743951,0.157468645055171,0.0918181584538414
EOS-3-10228,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1ncccn1,QBISTUULGVHICZ-UHFFFAOYSA-N,3,1,0.506,37,132,448.849,3.452,5,0.389,0.72,1.0,0.9368360633267082,0.9362792132136248,0.42014769378383937,0.48770646288808167,0.6952423583030636
EOS-3-10229,Fc1ccc(Cc2cncc3nnc(-c4nccnc4-c4ccncc4)n23)cc1Cl,VSLAXRNBIZRBGD-UHFFFAOYSA-N,3,1,0.354,85,961,417.835,4.027,5,0.439,0.85,0.902,0.37328661503666644,0.347508738263313,0.6877612912069083,0.7851757932972381,0.5484331094510315
EOS-3-10230,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccn2)nn1,YTLFJCVESYYHHG-UHFFFAOYSA-N,3,1,0.407,46,915,431.847,2.974,5,0.413,0.67,1.0,0.6370022616681515,0.6691025289562059,0.18754711808649166,0.22740901925844698,0.430265231992324
EOS-3-10231,Cc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1C1CC1,ZPFMVKZJOGQQIT-UHFFFAOYSA-N,3,1,0.33,63,437,411.469,3.326,6,0.541,0.89,1.0,0.15633781097937086,0.04019601123980536,0.01129977383318484,0.03628092659858817,0.0610286306627373
EOS-3-10233,Cc1cc(C(=O)O)ccc1-c1nnc2cncc(-c3cnn(-c4cccc(C(F)F)n4)c3)n12,XLSCGGQDGPCHTJ-UHFFFAOYSA-N,3,1,0.322,96,121,447.405,3.983,5,0.434,0.72,0.389,0.006673634432184223,0.05886334041532452,0.6905369748475088,0.5205092180111027,0.31914579192653003
EOS-3-10234,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cc1,LQZYQGQMVAITDS-UHFFFAOYSA-N,3,1,0.32,25,508,421.424,3.304,6,0.426,0.76,1.0,0.14486669864985266,0.08746830237817833,0.2766431361798369,0.31132204783770817,0.205075046261394
EOS-3-10235,Cc1cc(C(F)(F)F)ncc1Cc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,SUVBMTMLOFZUMI-UHFFFAOYSA-N,3,1,0.573,66,225,435.356,4.706,4,0.425,0.81,1.0,0.9184771434445891,0.9056695908436707,0.9940716880268659,0.979987663628264,0.9495515214858474
EOS-3-10236,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)nc2)o1,FPLSDZVRXIFYBH-UHFFFAOYSA-N,3,1,0.318,64,449,451.425,3.808,6,0.394,0.75,1.0,0.26331300116510176,0.3280275512302104,0.23329449660749776,0.2954903707765061,0.280031354944829
EOS-3-10237,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)cn1,ORHMTSAWJPWYPE-UHFFFAOYSA-N,3,1,0.293,70,899,437.492,3.772,6,0.414,0.73,1.0,0.0947416215475293,0.09677198272907957,0.2223202659173463,0.24786683572064971,0.1654251764786512
EOS-3-10238,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nc1,QZTFGSBBRLNUPV-UHFFFAOYSA-N,3,1,0.56,90,683,470.867,3.441,5,0.444,0.68,0.994,0.5689380439997258,0.32339284490439313,0.8300407785621273,0.8032348708107737,0.631401634569255
EOS-3-10240,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)n1,VFJCJHSMWFEZPZ-UHFFFAOYSA-N,3,1,0.554,4,82,431.406,3.809,5,0.418,0.78,1.0,0.8191350832705092,0.7313840723733809,0.6435473922280858,0.5886419710780618,0.6956771297375095
EOS-3-10241,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C#N)cc5F)n34)cn2)n1,VLQNDVQWKXFDFW-UHFFFAOYSA-N,3,1,0.494,36,258,428.391,1.967,5,0.412,0.73,1.0,0.577213693372627,0.6018093345212803,0.33518950037694467,0.34590672332259614,0.465029812898362
EOS-3-10242,Fc1cccc(-c2cnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)c1,TWHHOZAXZVWGGT-UHFFFAOYSA-N,3,1,0.488,46,959,433.834,4.015,5,0.386,0.78,1.0,0.7978548420259064,0.7129737509423617,0.7243848947981633,0.7757693098485368,0.752745699403742
EOS-3-10243,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c(F)c2)n(C)n1,JLAUSYUAGRZUQR-UHFFFAOYSA-N,3,1,0.675,91,70,447.449,3.795,5,0.394,0.76,1.0,0.6517373723528203,0.6935439654581591,0.5294530875197039,0.5306610239188541,0.6013488623123844
EOS-3-10244,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nn5)cn4)n23)cn1,VRQNPIDBQKBFQJ-UHFFFAOYSA-N,3,1,0.39,85,290,427.403,1.867,5,0.449,0.62,1.0,0.19244739908162567,0.14749674456856968,0.1810191213761908,0.15747721197998765,0.16961011925159344
EOS-3-10245,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)nn1,BQZQLPMIZTVZKT-UHFFFAOYSA-N,3,1,0.57,51,946,419.836,2.609,5,0.427,0.77,1.0,0.544899252964156,0.7453995613734494,0.2295079158385306,0.28365088067987115,0.4508644027140018
EOS-3-10246,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnc(F)cn5)c4)n23)cc1F,IIABZRAJRQEFPZ-UHFFFAOYSA-N,3,1,0.398,14,358,475.434,3.616,5,0.417,0.76,1.0,0.3572750325543143,0.4002638612843534,0.8153656363511754,0.7662171886779522,0.5847804297169488
EOS-3-10247,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nc(C)c(Cl)s5)n4)n23)cc1,YPZUGFXLHXWOGP-UHFFFAOYSA-N,3,1,0.404,62,423,461.938,4.298,5,0.428,0.75,1.0,0.1644164210814886,0.23662703036118155,0.21203995613734494,0.1870845041463916,0.20004197793160167
EOS-3-10248,Cc1ncc(-c2nc(C)ncc2-c2nnc3cncc(OCc4cccc(F)c4)n23)cn1,SASXJRQHGISCQK-UHFFFAOYSA-N,3,1,0.556,51,282,428.431,3.373,5,0.42,0.74,1.0,0.757581728462751,0.6593448015900213,0.3687204441093825,0.32670824480844357,0.5280888047426496
EOS-3-10249,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,SIAJIVHGICRCIS-UHFFFAOYSA-N,3,1,1.0,48,948,411.824,3.304,4,0.525,0.83,1.0,0.6199797820574326,0.3280361181550271,0.8093173874306079,0.7711860050716195,0.6321298231786718
EOS-3-10251,Cn1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)n1,ICABCGDVJQZSQS-UHFFFAOYSA-N,3,1,0.347,93,774,419.452,3.44,6,0.435,0.81,1.0,0.016911109588102255,0.01739942430265232,0.23330306353231445,0.29863443218422314,0.14156200740182304
EOS-3-10252,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)c(Cl)c2)nn1,BCPPLFOTHFWVRH-UHFFFAOYSA-N,3,1,0.31,10,620,455.873,2.883,6,0.398,0.72,1.0,0.014323898293468576,0.13631690768281818,0.27665170310465353,0.3524004523336303,0.19492324035364267
EOS-3-10253,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)nc2)n1,VXNCCJXSNWAGKG-UHFFFAOYSA-N,3,1,0.318,98,543,450.441,3.245,6,0.402,0.71,0.999,0.09953053252004661,0.21148310602426154,0.3093088205057912,0.3750599684737167,0.248845606880954
EOS-3-10254,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncn(C)n6)cn5)n34)cc2)nn1,XPORYNQWCNAJLQ-UHFFFAOYSA-N,3,1,0.303,98,882,435.455,2.444,6,0.414,0.68,1.0,0.0629154958536084,0.070068878075526,0.12825543143033377,0.11306627373038174,0.09357651977246248
EOS-3-10256,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)nc1,CHVSWUSQEILGPS-UHFFFAOYSA-N,3,1,0.353,94,515,449.453,3.85,6,0.403,0.75,0.999,0.15357069426358713,0.267407991227469,0.5160372832568021,0.5405044205332054,0.3693800973202659
EOS-3-10257,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cn5)n34)nc2)nn1,JIHNPHHSXIXPRE-UHFFFAOYSA-N,3,1,0.342,32,301,449.453,3.85,6,0.403,0.75,0.993,0.05939448975395792,0.16708930162428895,0.5160458501816189,0.5571328216023577,0.32491561579055583
EOS-3-10258,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)no1,XCUXDBMBHHXMBN-UHFFFAOYSA-N,3,1,0.315,38,42,435.451,3.612,6,0.413,0.73,1.0,0.15092351449523678,0.10648687547118087,0.19090535261462546,0.16273730381742169,0.1527632615996162
EOS-3-10259,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5nccc(Cl)n5)c4)n23)cc1,ZHRMWWBKSGILTD-UHFFFAOYSA-N,3,1,0.424,14,319,473.899,3.991,5,0.387,0.82,1.0,0.352460420807347,0.38108251661983417,0.6548985676101706,0.6131862106778151,0.5004069289287917
EOS-3-10260,Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,YKESUGGMFKDOEH-UHFFFAOYSA-N,3,1,0.585,72,232,429.871,4.184,5,0.413,0.75,1.0,0.8393444589130286,0.9007179082996367,0.640574669316702,0.6422880542800357,0.7557312727023507
EOS-3-10261,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnccn5)c4)n23)cn1,MUWHYJJQCCJWOT-UHFFFAOYSA-N,3,1,0.301,42,327,431.463,3.711,6,0.419,0.72,1.0,0.14226235350558564,0.04020457816462203,0.4424559660064423,0.422452196559523,0.26184377355904326
EOS-3-10263,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)c(F)c3)n12,LKIQFYJBTQNUHM-UHFFFAOYSA-N,3,1,0.563,15,619,429.459,3.656,5,0.41,0.78,1.0,0.5114368446302515,0.5398019326982386,0.41269446919333835,0.3911743540538688,0.4637769001439243
EOS-3-10264,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccc5C(F)F)cn4)n23)nc1,QIDLAZRBYCMQLQ-UHFFFAOYSA-N,3,1,0.313,70,776,445.389,3.946,5,0.432,0.74,0.962,0.23925707627989856,0.12240422178054966,0.6932783907888425,0.582602289082311,0.4093854944829004
EOS-3-10265,Cc1c(-c2cncc(-c3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)c2)cnn1C,GYYYQEUNRIIBGB-UHFFFAOYSA-N,3,1,0.25,86,874,447.466,2.809,6,0.401,0.73,1.0,0.04618429168665616,0.021100335823452814,0.18441162360359126,0.14947570420121992,0.10029298882873003
EOS-3-10266,Fc1cc(Cl)cnc1-c1nc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n[nH]1,MLOLUUMNQKUCJE-UHFFFAOYSA-N,3,1,0.4,22,575,427.23,4.084,5,0.466,0.75,1.0,0.3524689877321637,0.6254197793160168,0.6048248920567473,0.8164193681036255,0.5997832568021383
EOS-3-10267,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccnnc6)c5)n34)nc2)ccn1,VIFKUEBBKOCAJJ-UHFFFAOYSA-N,3,1,0.255,70,151,436.414,3.03,6,0.388,0.71,1.0,0.006682201357000891,0.09047529298882873,0.5193955177849359,0.5235676101706531,0.28503015557535466
EOS-3-10268,Cc1ccnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cn2)n1,UMCSZOKBODEVQU-UHFFFAOYSA-N,3,1,0.458,7,408,457.429,2.164,5,0.405,0.71,1.0,0.5347303132067713,0.342582756493729,0.19091391953944212,0.13091117812350078,0.2997845418408608
EOS-3-10269,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)n2)nn1,GEYJFIGZQSZEPQ-UHFFFAOYSA-N,3,1,0.511,73,212,437.826,2.748,5,0.413,0.7,1.0,0.4765266260023302,0.6164673428825989,0.40226852169145366,0.46344493180727847,0.4896768555959153
EOS-3-10270,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)nc1,RYJYGHAYFJBFKH-UHFFFAOYSA-N,3,1,0.309,70,179,445.49,4.019,6,0.404,0.78,0.997,0.05579638133095744,0.02791960797752039,0.31303543280104174,0.31744739908162567,0.1785497052977863
EOS-3-10271,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)cn2)nn1,JOMCOADOZVNVFY-UHFFFAOYSA-N,3,1,0.295,86,874,450.401,2.091,6,0.389,0.66,0.956,0.25513158796518404,0.25214173120416694,0.13413234185456788,0.15463299294085395,0.19900966349119323
EOS-3-10272,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4cncs4)nc3)n12,KDMVZGMOGTZFLR-UHFFFAOYSA-N,3,1,0.326,52,582,469.53,3.878,6,0.402,0.84,0.998,0.18661332328147487,0.10649544239599754,0.18102768830100746,0.16529881433760538,0.1598588170790213
EOS-3-10273,Cc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)ncn1,VTACRMNNTICCKJ-UHFFFAOYSA-N,3,1,0.436,46,267,430.859,3.579,5,0.416,0.7,1.0,0.5114454115550682,0.644575423206086,0.43116475909807417,0.4129257761633884,0.5000278425056541
EOS-3-10274,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)nn1C,GTWFNSFMOOBEPV-UHFFFAOYSA-N,3,1,0.316,98,890,449.482,2.753,6,0.403,0.69,1.0,0.07054005894044274,0.05490542115002399,0.0382170516071551,0.0352614625454047,0.049730998560756634
EOS-3-10275,Cn1cncc1-c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4)n23)cn1,MZJZKDKCMZNYRF-UHFFFAOYSA-N,3,1,0.349,85,976,437.389,2.986,5,0.426,0.69,1.0,0.32122541292577617,0.3522633815365636,0.6797854842025907,0.4728856829552464,0.4565399904050442
EOS-3-10276,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)n1C,LRYZBLWDGZYNKB-UHFFFAOYSA-N,3,1,0.311,38,608,446.478,3.414,6,0.405,0.71,1.0,0.08727126310739497,0.06270132273319169,0.1140857377835652,0.12009971900486602,0.09603951065725447
EOS-3-10277,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C5CCCC5)ncn4)n23)cc1,VPOQFIPMIKCLPH-UHFFFAOYSA-N,3,1,0.505,63,536,415.457,2.917,5,0.514,0.76,0.998,0.40426461517373724,0.11565348502501542,0.019241313138235898,0.03977623192378864,0.14473391131519428
EOS-3-10278,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)nn1,YHLNWKLQIPHXOQ-UHFFFAOYSA-N,3,1,0.658,43,11,447.861,4.323,5,0.396,0.78,1.0,0.9238571722294565,0.8831642793502844,0.7774998286615037,0.7828284558974711,0.8418374340346789
EOS-3-10279,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)ccn1,FQYNWXAVWGALGR-UHFFFAOYSA-N,3,1,0.477,35,529,429.871,3.918,5,0.378,0.83,1.0,0.7782794188198204,0.827856212733877,0.582448084435611,0.6099564800219314,0.6996350490028099
EOS-3-10280,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(Cl)nc(-c5cnccn5)c4)n23)nc1,UTFRPUYOTVCZNX-UHFFFAOYSA-N,3,1,0.379,85,647,443.858,2.381,5,0.408,0.66,0.988,0.1370022616681516,0.14375299842368583,0.21527825371804538,0.22152354190939622,0.17938926392981974
EOS-3-10281,COc1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)cn1,YOQUSQXEJRZVPL-UHFFFAOYSA-N,3,1,0.511,55,903,455.438,1.725,5,0.383,0.74,1.0,0.44776745939277635,0.1554982523473374,0.11409430470838187,0.03861113014872181,0.18899278664930438
EOS-3-10282,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cn1,QHPHVTCHAADODH-UHFFFAOYSA-N,3,1,0.541,27,51,453.388,2.975,5,0.4,0.73,1.0,0.6370108285929683,0.5879480501679117,0.7543948324309506,0.5571413885271743,0.6341237749297512
EOS-3-10283,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cc5)nn4C)n23)cc1,VQOADVVQRFGCEG-UHFFFAOYSA-N,3,1,0.413,67,642,452.457,3.188,6,0.405,0.69,1.0,0.1563463779041875,0.3857000890960181,0.1844201905284079,0.25077959015831675,0.2443115619217326
EOS-3-10284,CN(C)Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncn5C)nn4)n23)cc1,COXRGRFKGJCZFG-UHFFFAOYSA-N,3,1,0.462,36,707,442.487,2.017,5,0.373,0.72,1.0,0.35032725652799673,0.19255876910424233,0.09568398327736276,0.046201425536289496,0.17119285861147282
EOS-3-10285,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2F)nc1,ONPZZSLJPHGGMZ-UHFFFAOYSA-N,3,1,0.536,20,325,432.394,2.938,5,0.403,0.7,1.0,0.9036649304365705,0.8886385443081352,0.4601209649784114,0.46033513809882803,0.6781898944554863
EOS-3-10286,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)n2)nn1,OFINQZHVQFHSAH-UHFFFAOYSA-N,3,1,0.359,22,844,423.774,3.032,5,0.435,0.71,0.873,0.4248166678089233,0.6495442395997533,0.5530806661640737,0.7081591391953944,0.5839001781920362
EOS-3-10287,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)c2)n(C)n1,CLPCBEJNEJNPAR-UHFFFAOYSA-N,3,1,0.586,15,563,430.447,3.051,5,0.408,0.72,1.0,0.6456377218833528,0.6209564114865328,0.1844287574532246,0.17346309368788979,0.40612149612775
EOS-3-10288,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc(Cl)n1,KXIXFVNNVAUCLK-UHFFFAOYSA-N,3,1,0.477,55,390,430.859,3.579,5,0.39,0.8,1.0,0.5295644575423206,0.639623740662052,0.36503666643821536,0.34267699266671237,0.4692254643273251
EOS-3-10290,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccc4Cl)n23)cc1,PQWHUHXWLHVZQA-UHFFFAOYSA-N,3,1,0.511,89,230,471.908,3.84,5,0.401,0.81,1.0,0.754925981769584,0.5723219793023097,0.7062058803371941,0.6159533273935988,0.6623517922006716
EOS-3-10291,Clc1ccncc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3Cl)n12,LVNBGPTYSJFRAY-UHFFFAOYSA-N,3,1,0.477,47,164,439.266,3.857,5,0.443,0.7,1.0,0.7668854088136523,0.7360873140977314,0.7062144472620109,0.7783993557672538,0.746896631485162
EOS-3-10292,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ccn2)c(C)n1,XPSGUOADNZMVSJ-UHFFFAOYSA-N,3,1,0.456,75,441,428.431,3.373,5,0.42,0.72,1.0,0.72513878418203,0.592608457268179,0.44594270440682615,0.3459152902474128,0.527401309026112
EOS-3-10293,N#Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)ccc1Cl,NONCQZIDFNBUJC-UHFFFAOYSA-N,3,1,0.341,50,243,449.812,3.897,5,0.409,0.74,0.966,0.04758926735658968,0.3234014118292098,0.8915941333698856,0.8962545404701528,0.5397098382564595
EOS-3-10294,COc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c1,GCJZYULXRZWGFN-UHFFFAOYSA-N,3,1,0.33,64,365,447.462,3.505,6,0.395,0.73,0.945,0.009132341854567884,0.00657083133438421,0.22232883284216298,0.24208416146939896,0.1200290418751285
EOS-3-10295,N#CCNC(=O)c1ccc(-c2cncc3nnc(-c4nccnc4-c4cncc(F)c4)n23)cn1,SJKYTQUKESTUCY-UHFFFAOYSA-N,3,1,0.266,82,514,452.413,2.098,5,0.396,0.71,0.991,0.27622335686382016,0.19721060927969297,0.19798163251319306,0.20695120279624427,0.2195917003632376
EOS-3-10296,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)c1,OWVJFIUFMZJBLP-UHFFFAOYSA-N,3,1,0.237,39,972,433.439,2.594,6,0.412,0.68,1.0,0.002724282091700363,0.0021674319786169557,0.1255311493386334,0.15464155986567063,0.07126610581865533
EOS-3-10297,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cncnc4)n23)nc1,ZODORHFGZAEYKE-UHFFFAOYSA-N,3,1,0.247,86,953,435.415,1.291,6,0.394,0.69,1.0,0.10461928586114728,0.05491398807484066,0.02008943869508601,0.02631759303680351,0.05148507641696936
EOS-3-10298,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)cc5)n34)cc2)nn1,HCZIAGRVOUZGEM-UHFFFAOYSA-N,3,1,0.316,9,894,431.463,3.711,6,0.419,0.75,1.0,0.05240387910355699,0.04363991501610582,0.45327599204989377,0.45406414913302723,0.25084598382564594
EOS-3-10299,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c1-c1ccccc1,AAOHGTLYTBVRRI-UHFFFAOYSA-N,3,1,0.282,30,945,431.463,3.711,6,0.419,0.75,1.0,0.035989651154821466,0.027928174902337056,0.24738708793091632,0.277722568706737,0.14725687067370297
EOS-3-10300,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nn1,AADJEEVQKZUHBD-UHFFFAOYSA-N,3,1,0.319,38,270,431.463,3.711,6,0.419,0.75,1.0,0.06846686313480913,0.0509903365088068,0.3351980673017614,0.34915358782811323,0.20095221369337263
EOS-3-10301,Cc1cc(-c2cnc(C)nn2)cc(-c2nnc3cncc(OCCc4cccs4)n23)n1,CTAAALRCFXCBIS-UHFFFAOYSA-N,3,1,0.489,31,851,430.497,3.338,5,0.404,0.74,1.0,0.5318946610924542,0.30334624083339046,0.08642313755054486,0.06800424919470907,0.24741707216777464
EOS-3-10302,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cnsc5)cn4)n23)cc1)N1CCCCC1,VXGDDEHSOCHOTN-UHFFFAOYSA-N,3,1,0.348,52,376,467.558,4.603,6,0.384,0.87,1.0,0.011154136111301487,0.004163525460900555,0.005885477349050785,0.041027002947022134,0.01555753546706874
EOS-3-10303,Cc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5csc(C)n5)c4)n23)n1,KELNWTCDFNHIAY-UHFFFAOYSA-N,3,1,0.5,15,684,429.509,3.943,5,0.404,0.84,1.0,0.5137584812555686,0.43232986087314096,0.12553971626345006,0.0937307244191625,0.2913396957028305
EOS-3-10304,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5ncccn5)nc4)n23)cc1,OLDXAGDDVGTGND-UHFFFAOYSA-N,3,1,0.531,27,343,456.416,3.288,5,0.371,0.74,1.0,0.9263415804262902,0.8418288671098623,0.7661143855801521,0.6275872112946337,0.7904680111027347
EOS-3-10305,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(F)nc6)nc5)n34)cc2)n1,VXSXLGYKYYDZIR-UHFFFAOYSA-N,3,1,0.329,98,42,451.429,2.64,6,0.372,0.73,1.0,0.23356863820163115,0.2569220752518676,0.22577273661846345,0.24487697895963265,0.24028510725789873
EOS-3-10306,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1,FXXZRDWQYOJIPD-UHFFFAOYSA-N,3,1,0.314,52,582,423.44,2.531,6,0.445,0.75,1.0,0.1422709204304023,0.07007744500034267,0.08893324652182852,0.11544787882941539,0.10418237269549722
EOS-3-10307,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)nc1,AUDPPUKEIZKLST-UHFFFAOYSA-N,3,1,0.253,99,286,437.431,1.234,6,0.395,0.67,1.0,0.07633986704132685,0.04364848194092249,0.018358919882119115,0.018444589130285793,0.03919796449866356
EOS-3-10308,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cnn1,YQTAHOKKROBRLY-UHFFFAOYSA-N,3,1,0.3,99,112,434.427,1.896,6,0.404,0.68,0.998,0.06638510040435885,0.05492255499965732,0.05839215955040779,0.08796518401754506,0.06691624974299225
EOS-3-10309,Cc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nn1,YGLGDXGYNTZKLQ-UHFFFAOYSA-N,3,1,0.471,72,482,444.886,3.622,5,0.391,0.72,1.0,0.7125197039270783,0.8278647796586938,0.2839849907477212,0.3113306147625248,0.5339250222740045
EOS-3-10310,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4Cl)n23)s1,WATBOKUONXXMCK-UHFFFAOYSA-N,3,1,0.437,90,244,421.816,3.462,4,0.498,0.7,0.997,0.5449078198889726,0.36671578370228225,0.7473870879309163,0.7610427660886848,0.605013364402714
EOS-3-10311,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)nc5)n34)nn2)cn1,PBEIZOOYMZWHHM-UHFFFAOYSA-N,3,1,0.286,70,719,433.439,2.501,6,0.412,0.68,1.0,0.04619285861147283,0.0402131450894387,0.22951648276334727,0.21861078747172916,0.13363331848399698
EOS-3-10312,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cnccn5)n4)n23)cc1,OCMHXDHVARSWOG-UHFFFAOYSA-N,3,1,0.311,86,167,433.439,2.501,6,0.412,0.68,0.955,0.11212391200054829,0.04365704886573915,0.16499040504420534,0.1760674388321568,0.12420970118566241
EOS-3-10313,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cc5F)n4)n23)cc1,GZBFAYSBDIZZFB-UHFFFAOYSA-N,3,1,0.536,73,401,451.824,4.154,5,0.396,0.77,1.0,0.8685491056130491,0.9286546501267905,0.7634929065862518,0.8241210335138098,0.8462044239599753
EOS-3-10314,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)cn1,JEROGYJTIKWCKX-UHFFFAOYSA-N,3,1,0.289,98,890,423.444,2.173,6,0.427,0.71,1.0,0.001961825783016928,0.011950860119251594,0.16820300185045575,0.1420567473099856,0.08104310876567747
EOS-3-10315,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5ccccc5)[nH]4)n23)cc1,UOGLISZENUDDFU-UHFFFAOYSA-N,3,1,0.325,3,298,435.426,3.84,6,0.448,0.73,0.815,0.26596018093345214,0.3522719484613803,0.427583784524707,0.557149955451991,0.40074146734288263
EOS-3-10316,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2)n1C,LSYHKDHYIFPPDK-UHFFFAOYSA-N,3,1,0.389,7,94,433.863,2.918,5,0.416,0.71,1.0,0.42482523473373995,0.44555719279007605,0.18755568501130834,0.16793742718113905,0.3064688849290659
EOS-3-10317,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cn2)c1,SEWXQAYUDYESRQ-UHFFFAOYSA-N,3,1,0.341,30,298,434.438,4.24,6,0.413,0.76,0.937,0.019729627852785963,0.18834384209444177,0.522565279967103,0.6190031526283325,0.33741047563566584
EOS-3-10318,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncc(F)c(C)n5)c4)n23)cn1,XLNOCQNTSIGMES-UHFFFAOYSA-N,3,1,0.416,55,85,471.456,2.424,5,0.396,0.78,1.0,0.6199883489822493,0.4277208553217737,0.15545541772325405,0.08094887259269412,0.3210283736549928
EOS-3-10319,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)nn1,UEQINJKEIBMREN-UHFFFAOYSA-N,3,1,0.291,98,373,448.454,2.204,6,0.394,0.69,1.0,0.09953909944486328,0.07008601192515934,0.06043965458159139,0.06619662805839216,0.07406534850250154
EOS-3-10320,COc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)cn1,GFHXACQCTIDKLA-UHFFFAOYSA-N,3,1,0.436,46,238,446.858,3.279,5,0.387,0.72,0.958,0.4665461585909122,0.4895654855732986,0.4092848331163046,0.3395500651086286,0.426236635597286
EOS-3-10321,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)cn1,OSOXQKIVNUYQDW-UHFFFAOYSA-N,3,1,0.442,7,185,435.398,2.893,5,0.401,0.72,1.0,0.534738880131588,0.4544153930505106,0.3841494757042012,0.26284182030018505,0.4090363922966212
EOS-3-10322,Fc1cccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1,JDVVVTDCPNWSEG-UHFFFAOYSA-N,3,1,0.4,69,757,446.449,4.511,6,0.393,0.8,1.0,0.26332156808991847,0.4277294222465904,0.5595315605510246,0.6218645055170996,0.4681117641011583
EOS-3-10323,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)n2)cc1,BOGYRNOUQJFRHG-UHFFFAOYSA-N,3,1,0.32,10,871,452.869,3.544,6,0.399,0.72,0.936,0.028544993489137138,0.13270166541018436,0.2187564251936125,0.3364659721746282,0.17911726406689055
EOS-3-10324,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)c(F)c1,CLZUMYAZUZZHTA-UHFFFAOYSA-N,3,1,0.318,8,973,439.418,2.369,6,0.411,0.67,1.0,0.027311356315536973,0.25693064217668427,0.1059985607566308,0.17347166061270647,0.14092805496538963
EOS-3-10325,Cn1c(-c2ccccn2)nnc1-c1cncc2nnc(-c3nccnc3-c3cccc(F)c3)n12,HNABCQUOANSVAY-UHFFFAOYSA-N,3,1,0.368,39,854,450.441,3.245,6,0.402,0.72,0.961,0.07852443286957714,0.17109005551367282,0.08411863477486121,0.18449729285175792,0.12955760400246727
EOS-3-10326,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nn1C,YEKPCUVYWIKXAD-UHFFFAOYSA-N,3,1,0.541,36,404,439.842,2.692,5,0.415,0.71,1.0,0.4936947433349325,0.6986327187992598,0.27252244534301967,0.3491621547529299,0.45350301555753547
EOS-3-10327,Cc1cc(Cl)nnc1-c1cncc(Cc2cncc3nnc(-c4ccc(F)cc4)n23)c1,AZMBJZGDTPKHNA-UHFFFAOYSA-N,3,1,0.392,14,81,431.862,4.335,5,0.421,0.78,1.0,0.44085395106572545,0.535278596395038,0.6905455417723254,0.7506767870605168,0.6043387190734014
EOS-3-10328,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)cc1,VNXTWDNTDSBKIT-UHFFFAOYSA-N,3,1,0.518,37,207,430.859,3.313,5,0.404,0.71,1.0,0.7281115070934138,0.7583441847714344,0.4459512713316428,0.5405129874580221,0.6182299876636282
EOS-3-10329,Clc1cnnc(CCOc2cncc3nnc(-c4ccc(-c5cnncn5)cc4)n23)c1,JJSCGRPYFLHMRL-UHFFFAOYSA-N,3,1,0.494,72,482,431.847,2.708,5,0.4,0.68,1.0,0.8508669727914467,0.8752912754437667,0.2912583099170722,0.352409019258447,0.5924563943526832
EOS-3-10330,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)s2)cc1,PCKYLGZGJKLULH-UHFFFAOYSA-N,3,1,0.274,76,387,451.519,4.081,6,0.398,0.79,1.0,0.11790658625179905,0.12599376327873346,0.17488520320745665,0.22153210883421287,0.1600794153930505
EOS-3-10331,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cccnc6)n5)n34)cn2)n1,RXNQGJQWIVYBLO-UHFFFAOYSA-N,3,1,0.312,86,812,434.423,3.064,6,0.407,0.71,1.0,0.20068021383044343,0.13632547460763483,0.08894181344664519,0.08797375094236173,0.1284803132067713
EOS-3-10332,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cc1,FDYMLXJUTAJATM-UHFFFAOYSA-N,3,1,0.375,9,867,421.424,3.304,6,0.426,0.77,1.0,0.16168357206497155,0.06654787197587554,0.28399355767253787,0.2746470426975533,0.19671801110273457
EOS-3-10333,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)cc4)n23)cc1,ZHXXNHNXQXLNJN-UHFFFAOYSA-N,3,1,0.375,9,867,421.424,3.304,6,0.426,0.77,1.0,0.16169213898978824,0.06655643890069221,0.2840021245973545,0.27465560962236996,0.19672657802755122
EOS-3-10334,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5nnccc5OC)n4)n23)cc1,OAZUFBFFBABOOE-UHFFFAOYSA-N,3,1,0.341,74,333,440.427,1.468,5,0.426,0.65,1.0,0.3595024330066479,0.10322287711603043,0.05840072647522445,0.026326159961620178,0.13686304913988073
EOS-3-10335,Cn1nc(-c2cccs2)nc1-c1cncc2nnc(-c3ccc(-c4ncon4)nc3)n12,XQQVXDUHXSRPOU-UHFFFAOYSA-N,3,1,0.309,86,812,428.441,2.76,6,0.416,0.73,0.936,0.1287523130697005,0.13271023233500104,0.017527928174902337,0.02205126447810294,0.07526043451442671
EOS-3-10336,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cc(F)c(-c5ccnc(F)c5)cn4)n23)nc1,ZYJDEKRUAXVEPK-UHFFFAOYSA-N,3,1,0.296,74,776,470.443,3.481,6,0.392,0.78,1.0,0.20333596052361044,0.2268778699198136,0.39130285792611885,0.4877150298128984,0.3273079295456103
EOS-3-10337,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3cc(Cl)nc(-c4nnnn4C)c3)n12,FRLCNBZIRNLJER-UHFFFAOYSA-N,3,1,0.329,22,917,438.282,3.659,5,0.397,0.77,1.0,0.1478051538619697,0.35733500102803095,0.3169076828181756,0.5070505791241177,0.3322746042080735
EOS-3-10338,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ncc(Cl)cn5)nn4C)n23)cn1,PTSADSDWWZMRHT-UHFFFAOYSA-N,3,1,0.356,50,489,447.85,1.452,5,0.433,0.65,0.677,0.15093208142005346,0.2569392091015009,0.00930368035090124,0.007256185319717634,0.1061077890480433
EOS-3-10339,Cc1cnnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,WDFDUNOAALLYJT-UHFFFAOYSA-N,3,1,0.593,16,256,430.859,3.579,5,0.416,0.72,1.0,0.8438934959906792,0.8915084641217189,0.4311733260228908,0.4696816530738126,0.6590642348022753
EOS-3-10340,c1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnccn6)cn5)n34)cn2)ccn1,FPXUZYUDSRJXBS-UHFFFAOYSA-N,3,1,0.343,86,443,430.435,3.162,6,0.415,0.69,1.0,0.09008978137207868,0.12241278870536632,0.29858303063532315,0.305111027345624,0.20404915701459805
EOS-3-10341,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)n1,VMDUPWJRWZGLKZ-UHFFFAOYSA-N,3,1,0.288,76,387,432.451,3.106,6,0.418,0.68,0.951,0.0785329997943938,0.0232592008772531,0.1748937701322733,0.20091152080049346,0.11939937290110342
EOS-3-10342,Cc1ccc(-c2cc(-c3nnc4cncc(CNc5ccc(F)cc5)n34)nc(C)n2)nc1,XRYYNMLGSFMLSD-UHFFFAOYSA-N,3,1,0.351,44,500,426.459,4.011,5,0.454,0.73,1.0,0.06292406277842506,0.04022171201425536,0.35401103419916385,0.3144061407717086,0.19289073744088822
EOS-3-10343,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4Cl)n23)cc1,KHVONRZBQPJEGE-UHFFFAOYSA-N,3,1,0.351,9,340,455.869,3.957,6,0.392,0.77,1.0,0.21988725926941266,0.3134637790418751,0.4351226783633747,0.48772359673771504,0.3640493283530944
EOS-3-10344,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)no1,BOMHPWLIMMHBSZ-UHFFFAOYSA-N,3,1,0.329,38,608,433.435,3.669,6,0.41,0.75,1.0,0.1837605373175245,0.15550681927215407,0.19799019943800975,0.18180727845932423,0.17976620862175313
EOS-3-10345,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)c(F)c1,GJWPBHSXUKSPSV-UHFFFAOYSA-N,3,1,0.323,76,219,455.482,3.911,6,0.397,0.75,1.0,0.17235796038653964,0.32804468507984375,0.2689757384689192,0.3587999451716812,0.28204458227674595
EOS-3-10346,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2F)nc1,COVPHXYSVGBKSY-UHFFFAOYSA-N,3,1,0.541,20,658,428.431,3.107,5,0.406,0.71,1.0,0.8597166061270646,0.8886471112329518,0.3205314920156261,0.28956205880337194,0.5896143170447536
EOS-3-10347,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)cn2)cn1,HWPQZGSOYJREMZ-UHFFFAOYSA-N,3,1,0.303,98,725,434.467,3.049,6,0.42,0.68,1.0,0.03335103831128778,0.033959289973271196,0.32772770886162705,0.2805839215955041,0.16890548968542252
EOS-3-10348,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(C)(C)O)cc4)n23)cn1,UKBXZTZFBWSGLW-UHFFFAOYSA-N,3,1,0.566,89,512,443.471,2.183,5,0.42,0.74,1.0,0.5063823589884175,0.17109862243848947,0.37275546569803303,0.21309368788979507,0.3158325337536838
EOS-3-10349,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)ncn4)n23)nc1,FHQKQEDEICTKBP-UHFFFAOYSA-N,3,1,0.388,33,760,443.431,0.71,5,0.397,0.69,0.983,0.2762319237886368,0.0842300047974779,0.021845658282502914,0.007050579124117606,0.0973395414981838
EOS-3-10350,Cn1cc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)nn1,BFQMTXBANNOSPP-UHFFFAOYSA-N,3,1,0.329,98,882,453.445,2.583,6,0.4,0.66,1.0,0.13416660955383455,0.2020423548762936,0.22952504968816392,0.23918854088136524,0.20123063874991431
EOS-3-10351,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccncn6)c5)n34)nc2)c1,LAGPRPQPOWWGNM-UHFFFAOYSA-N,3,1,0.292,42,664,442.446,3.368,6,0.407,0.7,0.999,0.004908847919950655,0.033967856898087866,0.5530892330888905,0.5699318072784594,0.29047443629634706
EOS-3-10352,Cc1ccnc(-c2cncc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)n2)n1,BCSMKPRLTAQAEN-UHFFFAOYSA-N,3,1,0.314,74,155,423.44,2.421,5,0.465,0.66,0.994,0.11213247892536495,0.03397642382290453,0.1087656774724145,0.06468884929065863,0.07989085737783566
EOS-3-10353,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)nn1,QJGMPLYQQLYSLW-UHFFFAOYSA-N,3,1,0.529,4,391,436.838,3.353,5,0.417,0.73,1.0,0.5270372147214036,0.7454081282982661,0.5428860256322391,0.5826108560071277,0.5994855561647592
EOS-3-10354,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)nc4)n23)cc1F,IAMFVQMDPZUBSE-UHFFFAOYSA-N,3,1,0.479,36,512,474.46,1.845,5,0.374,0.83,1.0,0.40655198409978754,0.2934685765197725,0.09569255020217943,0.06298403125214173,0.2146742855184703
EOS-3-10355,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(C)cn5)c4)n23)cc1,GGTNWYLHBNAGEZ-UHFFFAOYSA-N,3,1,0.517,89,805,465.517,3.885,5,0.389,0.8,1.0,0.5137670481803852,0.1756219587416901,0.36872901103419914,0.20412411760674387,0.31556053389075456
EOS-3-10356,Fc1cc(F)cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)c1,CNEROPMZILUZQF-UHFFFAOYSA-N,3,1,0.333,10,871,453.416,3.774,6,0.401,0.72,0.729,0.06639366732917552,0.19721917620450963,0.6016636967993969,0.6681087656774725,0.3833463265026386
EOS-3-10357,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nncnn5)cc4F)n23)cc1,SMPNVKUPOIJDQW-UHFFFAOYSA-N,3,1,0.494,89,707,458.417,1.511,5,0.397,0.68,1.0,0.6823469947227743,0.39500376944691934,0.2120485230621616,0.14452402165718595,0.35848082722226027
EOS-3-10358,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)cc4)n23)nc1,AHGPXKBPKJQZDC-UHFFFAOYSA-N,3,1,0.309,39,972,467.884,3.154,6,0.384,0.76,1.0,0.2171629771777123,0.28281988897265437,0.12298677266808307,0.2478754026454664,0.21771126036597904
EOS-3-10359,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cc4)n23)cc1,YOUNXRBWHKOVAU-UHFFFAOYSA-N,3,1,0.448,66,646,411.387,3.761,4,0.555,0.81,1.0,0.5137756151052019,0.48488794462339796,0.9738194777602632,0.9160441367966554,0.7221317935713796
EOS-3-10360,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)nn1,MPIAKHNHSZAUAL-UHFFFAOYSA-N,3,1,0.293,8,890,436.443,1.839,6,0.406,0.67,1.0,0.03335960523610445,0.027936741827153725,0.05653313686519087,0.05408299636762388,0.04297812007401823
EOS-3-10361,Cn1nncc1-c1cccc(-c2nnc3cncc(COc4ccc(Cl)c(F)c4)n23)c1,IVJZAQMTNCLYEQ-UHFFFAOYSA-N,3,1,0.458,14,189,435.85,3.958,5,0.415,0.74,1.0,0.44544582276745937,0.5262147899390035,0.7750496881639367,0.7921664039476389,0.6347191762045096
EOS-3-10362,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)nc4)n23)c1,RWZYGQHXOBAVKF-UHFFFAOYSA-N,3,1,0.293,10,543,436.414,3.235,6,0.447,0.67,0.518,0.18376910424234116,0.24712151326159962,0.3913114248509355,0.49082482352134876,0.32825671646905624
EOS-3-10363,COCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cn4)n23)cc1F,APDVCDFQZIVMLB-UHFFFAOYSA-N,3,1,0.298,74,802,470.468,2.826,5,0.361,0.81,1.0,0.17808066616407375,0.12600233020355014,0.3423171818244123,0.28059248852032076,0.23174816667808923
EOS-3-10364,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(-c3ccc(-c4ncccn4)cc3)n12,RDKOQHWXRKAAQE-UHFFFAOYSA-N,3,1,0.361,42,867,436.41,4.104,6,0.406,0.75,1.0,0.37804982523473374,0.41429648413405523,0.5824566513604277,0.5886505380028785,0.49086337468302377
EOS-3-10365,Fc1ccc(F)c(-c2ncnnc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,RIEWGNGWQPSNGN-UHFFFAOYSA-N,3,1,0.443,45,730,421.798,4.242,5,0.433,0.82,0.99,0.4065605510246042,0.7313926392981975,0.8496847371667466,0.929699814954424,0.7293344356109931
EOS-3-10366,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)nc1,LSEJSOOGCDSXCJ-UHFFFAOYSA-N,3,1,0.329,64,449,449.453,3.85,6,0.403,0.74,1.0,0.1617007059146049,0.2521502981289836,0.4275923514495237,0.47289424988006307,0.3285844013432938
EOS-3-10367,Cn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c(F)c1,ANRZFCPLHVVXOS-UHFFFAOYSA-N,3,1,0.316,94,723,449.453,3.85,6,0.403,0.74,0.989,0.19786169556575972,0.277594064834487,0.5564817353162909,0.5441624974299225,0.3940249982866151
EOS-3-10368,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cn1,OVKOAFTYPJPNPI-UHFFFAOYSA-N,3,1,0.318,64,449,449.453,3.85,6,0.403,0.76,1.0,0.21177438146802824,0.23663559728599823,0.3461551641422795,0.4096960455075046,0.30106529710095264
EOS-3-10369,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cn4)n23)cc1,WTCVIWPQFNXHHW-UHFFFAOYSA-N,3,1,0.31,38,787,449.453,3.85,6,0.403,0.76,1.0,0.22547289424988007,0.26741655815228565,0.4059780001370708,0.44455486258652593,0.3358555787814406
EOS-3-10370,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(C#N)cc6)cc5)n34)nc2)cn1,BMVJWFPXIIQZBE-UHFFFAOYSA-N,3,1,0.419,9,774,455.485,4.187,6,0.392,0.81,1.0,0.14487526557466932,0.1798454526763073,0.6960283736549928,0.6857908984990748,0.42663499760126106
EOS-3-10371,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5F)n4)n23)cc1,YBCZAPOPQAHHRR-UHFFFAOYSA-N,3,1,0.35,62,681,414.404,2.538,5,0.485,0.8,0.999,0.05580494825577411,0.179854019601124,0.2985915975601398,0.2777311356315537,0.20299542526214792
EOS-3-10372,Cn1nc(-c2cc(Cl)ccn2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,VHMQNBANIZYWMV-UHFFFAOYSA-N,3,1,0.429,22,844,423.267,3.956,5,0.437,0.78,0.996,0.16979644986635598,0.46329072716057845,0.31691624974299226,0.5826194229319444,0.38315571242546775
EOS-3-10373,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nncc(-c5cccnc5)n4)n23)nc1,PJROVGLIDGJOKD-UHFFFAOYSA-N,3,1,0.394,33,53,440.427,1.372,5,0.411,0.66,1.0,0.38027722568706734,0.1514803646083202,0.04912274689877322,0.025469467479953396,0.1515874511685285
EOS-3-10374,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)nc1,CNGPVJWLWMZLRO-UHFFFAOYSA-N,3,1,0.398,51,943,457.429,2.116,5,0.381,0.71,1.0,0.47907100267288055,0.3134723459666918,0.2333116304571311,0.14705126447810293,0.29322656089370164
EOS-3-10375,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1C,RKTQJTYJFVQQLK-UHFFFAOYSA-N,3,1,0.512,20,658,425.456,2.672,5,0.405,0.73,1.0,0.4454543896922761,0.3714875608251662,0.04913131382358989,0.03735179220067165,0.22585626413542595
EOS-3-10376,COc1cc(-c2nnn(C)n2)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3CO)n12,WYCVHRJZCHHTEI-UHFFFAOYSA-N,3,1,0.333,61,917,448.874,2.803,5,0.436,0.69,1.0,0.40876225070248784,0.48489651154821467,0.43896066068124184,0.4255619902679734,0.43954535329997946
EOS-3-10377,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5cccc(F)c5)ccn4)n23)c1,LCBTZUWSTONNPZ-UHFFFAOYSA-N,3,1,0.511,11,503,430.418,4.148,5,0.403,0.81,1.0,0.766893975738469,0.6887721883352752,0.8093259543554245,0.830203550133644,0.7737989171407033
EOS-3-10378,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4cnnc(-c5cccnn5)n4)n23)c1,KNCGKONEMRGALY-UHFFFAOYSA-N,3,1,0.33,10,507,449.413,2.696,6,0.395,0.69,0.248,0.222483037488863,0.3082893564526078,0.19449489411280926,0.2986429991090398,0.25597757179082997
EOS-3-10379,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nc1,KNCZAXCATAIPNA-UHFFFAOYSA-N,3,1,0.333,98,882,434.467,3.049,6,0.42,0.69,1.0,0.06640223425399219,0.03683777671167158,0.24389178260571584,0.20990679185799466,0.13925964635734356
EOS-3-10380,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nn2)cn1,OSZLDTAOAONIEK-UHFFFAOYSA-N,3,1,0.324,98,42,434.467,3.049,6,0.42,0.69,1.0,0.06454321156877527,0.0339849907477212,0.2617538208484682,0.22422212322664656,0.1461260365979028
EOS-3-10381,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnnn5C)cc4)n23)cn1,CRHWHOQRCVZLQJ-UHFFFAOYSA-N,3,1,0.299,98,369,434.467,3.049,6,0.42,0.69,1.0,0.057586868617641014,0.03684634363648825,0.23675553423343157,0.2159636077033788,0.1367880885477349
EOS-3-10382,N#Cc1ccnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c1,VZVDGUXMIVOOTO-UHFFFAOYSA-N,3,1,0.565,1,850,439.866,4.352,5,0.401,0.78,1.0,0.8414519224179289,0.9590243986018778,0.839901309026112,0.8494619971215133,0.8724599067918579
EOS-3-10383,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nn5)n34)cc2)nc1,RBIVENKKFJTEST-UHFFFAOYSA-N,3,1,0.358,38,733,429.447,3.767,6,0.417,0.74,1.0,0.10462785278596395,0.11281783291069837,0.3727640326228497,0.4031252141731204,0.24833373312315812
EOS-3-10384,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)c1,PISPEELKUUCMLJ-UHFFFAOYSA-N,3,1,0.33,42,790,429.447,3.767,6,0.417,0.74,1.0,0.13949523678980194,0.1437615653485025,0.442464532931259,0.4352768830100747,0.2902495545199095
EOS-3-10385,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)nn1,FRAKQQQVQKUPIC-UHFFFAOYSA-N,3,1,0.511,72,132,429.871,3.918,5,0.404,0.75,1.0,0.682355561647591,0.7670139126859022,0.47071825097662945,0.5471523541909397,0.6168100198752656
EOS-3-10386,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)cc1F,YCDGJVIJBNQEKU-UHFFFAOYSA-N,3,1,0.671,84,884,431.406,3.543,5,0.406,0.77,1.0,0.8164622027277089,0.7838993214995545,0.8399098759509287,0.8164279350284422,0.8141748338016586
EOS-3-10387,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)ncn1,AODKTHLLCUPUOD-UHFFFAOYSA-N,3,1,0.547,43,439,430.418,4.414,5,0.411,0.81,1.0,0.8847577273661846,0.7129823178671784,0.8782811322047838,0.8561698992529642,0.8330477691727777
EOS-3-10388,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n2)n1,CAWQSGYBMKYEBN-UHFFFAOYSA-N,3,1,0.325,39,176,450.441,3.245,6,0.402,0.69,0.451,0.12030532520046604,0.18396614351312454,0.20134843396614352,0.2746641765471866,0.1950710198067302
EOS-3-10389,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)cc3F)n12,JGLPAOLMUVPNTI-UHFFFAOYSA-N,3,1,0.566,35,325,431.406,3.543,5,0.406,0.73,1.0,0.9398002193132753,0.9286632170516071,0.7038328421629771,0.6830666164073744,0.8138407237338086
EOS-3-10390,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nn2)c1,KEIMYXLTZSWAAK-UHFFFAOYSA-N,3,1,0.35,10,37,435.426,3.635,6,0.417,0.72,0.995,0.006690768281817559,0.1065040093208142,0.44595983825645946,0.5306695908436707,0.2724560516756905
EOS-3-10391,Fc1cc(Cl)cc(COc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)c1,XSCCVCREMRMMMM-UHFFFAOYSA-N,3,1,0.46,44,16,433.834,4.015,5,0.413,0.72,1.0,0.6226869302994997,0.6299859502433006,0.7113803029264615,0.7557912411760674,0.6799611061613323
EOS-3-10393,Cn1nncc1-c1nc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)ccc1F,FYSMOHWKFZWKBP-UHFFFAOYSA-N,3,1,0.517,34,10,438.373,2.978,5,0.416,0.7,1.0,0.47653519292714686,0.6299945171681174,0.6136488246179151,0.6452350764169693,0.5913534027825371
EOS-3-10394,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)nc(-c5cccnn5)c4)n23)cc1F,ZHCDRVVRTYYUAW-UHFFFAOYSA-N,3,1,0.382,14,740,444.405,2.611,5,0.413,0.64,0.996,0.29302309642930574,0.22146357343567952,0.5327170858748543,0.5070591460489343,0.3885657254471935
EOS-3-10395,Cn1nc(CCc2cccc(F)c2F)nc1-c1cncc2nnc(-c3ccc(CO)cc3)n12,YJMMDJUDTLXFDU-UHFFFAOYSA-N,3,1,0.33,61,316,447.449,3.143,5,0.43,0.75,1.0,0.21430162428894525,0.3280532520046604,0.46012953190322803,0.5441710643547393,0.3866638681378932
EOS-3-10396,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c(-c2ncccn2)n1,RJUJXWLDURRJTE-UHFFFAOYSA-N,3,1,0.329,42,608,422.412,2.699,6,0.421,0.74,1.0,0.08727983003221164,0.06656500582550888,0.1034456171612638,0.1105218970598314,0.09195308751970394
EOS-3-10397,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4cncnc4)cn3)n12,KFGVMYPSCLEYRQ-UHFFFAOYSA-N,3,1,0.512,51,969,430.859,3.579,5,0.416,0.75,1.0,0.667140703173189,0.820197381947776,0.47742615310808034,0.4818209855390309,0.6116463059420191
EOS-3-10398,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)cn1,WHCYSRMRGCUIMP-UHFFFAOYSA-N,3,1,0.324,99,286,436.443,1.839,6,0.406,0.68,0.999,0.10214344458913029,0.04743506270988966,0.03822561853197176,0.03322253443903776,0.05525666506750737
EOS-3-10399,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)nc1,KQNYUYQNFCDLJP-UHFFFAOYSA-N,3,1,0.316,99,968,436.443,1.839,6,0.406,0.68,0.998,0.09475018847234597,0.04366561579055582,0.03958775957782194,0.03420773079295456,0.053052823658419575
EOS-3-10400,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)c4)n23)cc1F,KHUXKAJSCDMNQF-UHFFFAOYSA-N,3,1,0.468,16,788,474.431,2.86,5,0.399,0.79,1.0,0.6795113426084572,0.40944760468782126,0.532725652799671,0.4255705571927901,0.5118137893221849
EOS-3-10401,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(Cl)cc4)n23)cc1,IETKHBXOBSDDKL-UHFFFAOYSA-N,3,1,0.354,25,508,466.896,3.759,6,0.386,0.79,1.0,0.23093002535809745,0.352280515386197,0.3315142896305942,0.4729028168048797,0.3469069117949421
EOS-3-10403,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)c1,DNBBCQMXTLAACI-UHFFFAOYSA-N,3,1,0.325,64,449,447.437,3.906,6,0.4,0.75,0.994,0.22249160441367966,0.32340997875402644,0.48816050990336507,0.5667277773970255,0.4001974676170241
EOS-3-10404,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccncc6)ncn5)n34)cc2)n1,UHRHVJYGQSNNJV-UHFFFAOYSA-N,3,1,0.316,38,608,432.451,3.106,6,0.418,0.7,1.0,0.06116784319100815,0.05493112192447399,0.2725310122678363,0.25078815708313346,0.159854533616613
EOS-3-10405,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)n1,QTVAYYHTARLOJW-UHFFFAOYSA-N,3,1,0.326,76,387,432.451,3.106,6,0.418,0.7,0.994,0.057595435542457676,0.015857377835652116,0.12554828318826675,0.15207148242067028,0.0877681447467617
EOS-3-10406,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cn2)cn1,AXWWXKLCNRNDLE-UHFFFAOYSA-N,3,1,0.304,94,165,432.451,3.106,6,0.418,0.7,1.0,0.046201425536289496,0.05493968884929066,0.3878503872250017,0.33647453909944486,0.20636651017750668
EOS-3-10407,Fc1cccc(Cl)c1-c1nnc2cncc(-c3nnn(-c4ccc(Cl)nn4)n3)n12,AJJSKOHWMPPQMB-UHFFFAOYSA-N,3,1,0.338,22,990,429.206,2.67,5,0.43,0.69,0.859,0.04332293879788911,0.30829792337742445,0.18103625522582414,0.4666575286135289,0.24982866150366667
EOS-3-10408,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)n5)cn4)n23)nn1,DXKXYTVLNMHCTI-UHFFFAOYSA-N,3,1,0.365,51,48,432.835,2.369,5,0.408,0.68,0.999,0.47135220341306283,0.5352871633198547,0.0912548831471455,0.10609279692961414,0.30099676170241935
EOS-3-10409,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ccnnc5)s4)n23)cc1F,TUZLKFAIAAYSHG-UHFFFAOYSA-N,3,1,0.379,14,357,446.471,2.794,5,0.442,0.65,1.0,0.19501747652662602,0.192567336029059,0.24032794188198203,0.20413268453156055,0.2080113597423069
EOS-3-10410,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)c(F)c6)c5)n34)cc2)nn1,YTNZDPBEQMALAR-UHFFFAOYSA-N,3,1,0.33,3,150,455.432,3.718,6,0.402,0.74,1.0,0.026086286066753478,0.2214721403604962,0.7398053594681653,0.7455623329449661,0.43323152971009526
EOS-3-10411,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)nn1,CIEVUCFWLSKNRH-UHFFFAOYSA-N,3,1,0.59,72,393,427.443,3.712,5,0.408,0.75,1.0,0.8573521348776643,0.8547991912822973,0.5950414639161127,0.5471609211157563,0.7135884277979577
EOS-3-10412,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnoc5)cn4)n23)cc1,CYWFIYPHQBDMMK-UHFFFAOYSA-N,3,1,0.473,89,408,428.412,2.175,5,0.432,0.69,1.0,0.4384980467411418,0.21631485162086217,0.21528682064286203,0.10828592968268111,0.2445964121718868
EOS-3-10413,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)c(F)c2)n1,RMJZLXKWFNWPFH-UHFFFAOYSA-N,3,1,0.489,37,482,431.435,2.62,5,0.387,0.74,1.0,0.5371033513809883,0.5587005688438078,0.11410287163319854,0.12010828592968269,0.3325037694469193
EOS-3-10414,FC(F)COc1cnc(-c2cncc3nnc(-c4ccc(CC(F)(F)F)cn4)n23)nc1,QCVROPFNTLJDIC-UHFFFAOYSA-N,3,1,0.319,68,542,437.332,3.392,4,0.427,0.68,0.687,0.4963333561784662,0.5587091357686245,0.9431755876910424,0.8866424508258516,0.7212151326159961
EOS-3-10415,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncc(F)s5)n4)n23)cc1,ARUOTARWQJKPFY-UHFFFAOYSA-N,3,1,0.474,89,731,462.47,2.783,5,0.409,0.69,1.0,0.5858491535878281,0.42773798917140704,0.13414090877938456,0.08095743951751079,0.3071713727640326
EOS-3-10416,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Br)c(F)c4)n23)cc1,WBDJQMSODURSOR-UHFFFAOYSA-N,3,1,0.529,63,536,483.301,3.559,5,0.422,0.88,1.0,0.6087057089986978,0.29347714344458914,0.3987903502158865,0.42557912411760673,0.43163808169419504
EOS-3-10417,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nc2)cn1,RVFKZBQSDBWNKV-UHFFFAOYSA-N,3,1,0.326,42,714,431.463,3.711,6,0.419,0.74,1.0,0.07054862586525941,0.05494825577410733,0.4707268179014461,0.43197005003084094,0.25704843739291344
EOS-3-10418,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)c1,TYMJRIIERMBVFF-UHFFFAOYSA-N,3,1,0.299,25,213,433.439,2.501,6,0.412,0.7,1.0,0.09236001644849565,0.05099890343362347,0.08412720169967788,0.12459735453361662,0.08802086902885341
EOS-3-10419,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,CHQMVKUDJHMVDB-UHFFFAOYSA-N,3,1,0.824,90,948,412.812,2.699,4,0.521,0.82,1.0,0.8138921252827085,0.5306181892947708,0.5730844356109931,0.569940374203276,0.6218837810979372
EOS-3-10420,Cc1ncc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5cnn(C)c5)c4)n23)cn1,KASPWEGWWFNGSP-UHFFFAOYSA-N,3,1,0.223,86,780,436.443,1.933,6,0.407,0.67,0.969,0.005765540401617435,0.0037865807689671715,0.10345418408608047,0.07564594613117676,0.04716306284696046
EOS-3-10421,Fc1cccnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cnccn5)nc4)n23)cc1,UOTMIFNSJBYIQV-UHFFFAOYSA-N,3,1,0.347,42,106,447.437,3.906,6,0.4,0.72,1.0,0.3008275649372901,0.3810910835446508,0.477434720032897,0.5205177849359194,0.41996778836268933
EOS-3-10422,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)cn1,GEUYODPIHREDBW-UHFFFAOYSA-N,3,1,0.347,32,191,447.437,3.906,6,0.4,0.72,1.0,0.26856452607771913,0.3667243506270989,0.4913217051607155,0.4877321636625317,0.4035856863820163
EOS-3-10423,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)cc1,JZDLPGVCIFJQDA-UHFFFAOYSA-N,3,1,0.309,39,527,438.39,1.82,6,0.4,0.68,0.983,0.015231992324035364,0.12242135563018298,0.03959632650263861,0.0998218079638133,0.06926787060516756
EOS-3-10424,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)ncn5)ccn4)n23)cc1,FJHNMJICERYEDC-UHFFFAOYSA-N,3,1,0.465,89,398,466.505,3.28,5,0.388,0.75,1.0,0.4272154067575903,0.14377013227331917,0.26898430539373586,0.12460592145843329,0.24114394147076965
EOS-3-10425,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)c(F)c1,KSAMSICSNRWBHL-UHFFFAOYSA-N,3,1,0.301,30,581,450.441,3.245,6,0.402,0.7,1.0,0.14781372078678637,0.21632341854567885,0.24739565485573298,0.342685559591529,0.2385545884449318
EOS-3-10426,Cn1nnc(-c2nc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccc2F)n1,UEBRXDGGYFQKCZ-UHFFFAOYSA-N,3,1,0.411,74,768,416.38,1.282,5,0.462,0.77,1.0,0.18662189020629155,0.2065142896305942,0.062461448838324996,0.06001987526557467,0.12890437598519636
EOS-3-10427,Cc1nc(-c2cccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cs1,MHQPUQRTLMJWRP-UHFFFAOYSA-N,3,1,0.373,62,916,466.57,4.706,6,0.392,0.88,1.0,0.2089901309026112,0.07726509492152697,0.23676410115824822,0.25688780755260093,0.19497678363374682
EOS-3-10428,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)cc1,XIJHWTPAQGHPTE-UHFFFAOYSA-N,3,1,0.278,10,952,418.424,2.891,6,0.429,0.8,0.97,0.0016362826399835516,0.013047426495785074,0.12826399835515043,0.19519738194777603,0.08453627235967377
EOS-3-10430,Cn1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)n1,HLRHECXYNYWTCB-UHFFFAOYSA-N,3,1,0.284,98,289,420.44,2.834,6,0.432,0.75,1.0,0.006270988965800836,0.008592625591117812,0.1373706394352683,0.16016722637242137,0.07810037009115209
EOS-3-10431,COc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cn3)n12,NQQONSKYWROBGB-UHFFFAOYSA-N,3,1,0.269,98,765,452.442,1.838,6,0.41,0.69,1.0,0.11516517031046536,0.09364505517099582,0.0957011171269961,0.07565451305599342,0.09504146391611266
EOS-3-10432,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c2)nn1,VWCMMJLBYVJUKB-UHFFFAOYSA-N,3,1,0.441,7,94,431.847,2.974,5,0.413,0.68,1.0,0.4937033102597492,0.5879566170927284,0.2295336166129806,0.2507967240079501,0.3904975669933521
EOS-3-10433,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)nc5)n34)cn2)nc1,RNNIIFPTJONDQS-UHFFFAOYSA-N,3,1,0.319,32,191,428.459,4.372,6,0.411,0.8,1.0,0.10463641971078062,0.1293862655061339,0.5395020903296552,0.5370947844561716,0.3276548900006854
EOS-3-10434,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(C#N)n6C)cc5)n34)nc2)n1,DOKHMZAZTUDXIX-UHFFFAOYSA-N,3,1,0.299,98,193,459.477,2.921,6,0.394,0.72,1.0,0.18969741621547528,0.15148893153313686,0.3169248166678089,0.30511959427044066,0.24080768967171542
EOS-3-10435,NC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(CO)c(-c5ccccc5)n4)n23)nc1,KUHKNEWJVVFVJF-UHFFFAOYSA-N,3,1,0.34,14,776,438.451,1.825,5,0.408,0.71,0.892,0.1563549448290042,0.08423857172229457,0.1007813035432801,0.0879823178671784,0.10733928449043932
EOS-3-10436,N#CC1(c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)CCOCC1,JHFKLLTXMICZPJ-UHFFFAOYSA-N,3,1,0.511,63,548,447.886,3.385,5,0.457,0.69,0.995,0.537111918305805,0.659353368514838,0.20501507778767733,0.4478702624905764,0.46233765677472416
EOS-3-10437,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)nn1,IIQZYCPQJZGEQL-UHFFFAOYSA-N,3,1,0.612,51,946,451.397,2.557,5,0.368,0.75,1.0,0.420130559934206,0.5777105750119937,0.5015934480159002,0.4192395997532726,0.4796685456788431
EOS-3-10439,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)O)cn5)n34)cn2)no1,CWOWAGCANABQBJ-UHFFFAOYSA-N,3,1,0.44,33,62,430.384,2.217,5,0.421,0.7,1.0,0.3503358234528134,0.06270988965800836,0.07722226029744363,0.030960866287437463,0.1303072099239257
EOS-3-10440,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)[nH]4)n23)cc1,LLMNTOBICQYTQK-UHFFFAOYSA-N,3,1,0.37,3,642,438.43,3.178,6,0.449,0.7,1.0,0.16442498800630526,0.2881056815845384,0.3169333835926256,0.38784182030018505,0.2893264683709136
EOS-3-10441,Cc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cn1,XDKFEJYBGYKXBB-UHFFFAOYSA-N,3,1,0.294,30,301,432.447,4.274,6,0.406,0.83,1.0,0.17509080940305669,0.1293948324309506,0.2652748269481187,0.3051281611952574,0.21872215749434587
EOS-3-10442,Cn1nccc1-c1cc(F)c(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cn1,QEGPIGPNHHFKFE-UHFFFAOYSA-N,3,1,0.307,98,866,453.445,2.583,6,0.4,0.7,1.0,0.144883832499486,0.24713008018641627,0.187564251936125,0.22423069015146324,0.20095221369337263
EOS-3-10443,Cc1csc(-c2nccc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)n1,CRFRTZDIFQXRMA-UHFFFAOYSA-N,3,1,0.368,85,290,429.469,2.098,5,0.448,0.66,0.997,0.05940305667877459,0.09365362209581249,0.014015489000068536,0.006810705229250908,0.04347071825097663
EOS-3-10444,Cc1nn(C)cc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,NYEITJIDNSFJNB-UHFFFAOYSA-N,3,1,0.556,4,212,432.875,3.523,5,0.419,0.73,1.0,0.55008224247824,0.6986412857240765,0.35020731958056334,0.35532177369611406,0.4885631553697485
EOS-3-10445,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)n(C)n1,NEXLDDWDEPJAQZ-UHFFFAOYSA-N,3,1,0.566,4,506,432.875,3.523,5,0.419,0.73,1.0,0.3618497704064149,0.4498834898224933,0.24390034953053252,0.2660287163319855,0.33041558152285655
EOS-3-10446,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)cn1,HMEZSQOFNSKKJQ-UHFFFAOYSA-N,3,1,0.444,7,390,430.859,3.579,5,0.39,0.78,1.0,0.5716880268658763,0.7175741895689124,0.43896922760605855,0.42246076348433964,0.5376730518812968
EOS-3-10447,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)nn1,OLQNGZKYKXLTQB-UHFFFAOYSA-N,3,1,0.517,4,32,431.847,2.974,5,0.413,0.67,1.0,0.7067198958261942,0.9007264752244535,0.2510023302035501,0.2986515660338565,0.5392750668220136
EOS-3-10448,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nc[nH]n6)nn5)n34)nc2)c1,WOQXZXUXTOZOTE-UHFFFAOYSA-N,3,1,0.31,10,934,437.402,2.63,6,0.441,0.64,0.999,0.1780892330888904,0.27760263175930366,0.17490233705709,0.2836594476046878,0.22856341237749295
EOS-3-10449,CC(F)(F)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cn1,SBWLTUFNFLRHJD-UHFFFAOYSA-N,3,1,0.479,66,455,420.345,4.303,4,0.461,0.82,1.0,0.4001353574121034,0.5587177026934411,0.9931464601466657,0.962733877047495,0.7286833493249263
EOS-3-10450,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)c5)ncn4)n23)cc1,PNQDRYCCMPSGBQ-UHFFFAOYSA-N,3,1,0.5,89,675,458.869,2.975,5,0.384,0.74,1.0,0.5716965937906929,0.41889692276060586,0.4601380988280447,0.3814594613117675,0.45804776917277773
EOS-3-10451,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)c4)n23)cn1,PRBDTHNSLOBSOW-UHFFFAOYSA-N,3,1,0.483,55,879,458.869,2.975,5,0.384,0.74,1.0,0.5717051607155096,0.4586131862106778,0.4311818929477075,0.39396717154410255,0.46386685285449936
EOS-3-10452,Cc1nnc(-c2ccc(F)c(-c3nnc4cncc(-c5ccc(-c6cn(C)nn6)cn5)n34)c2)o1,YJDUGZKJIIBVEP-UHFFFAOYSA-N,3,1,0.302,98,424,454.429,3.146,6,0.395,0.74,1.0,0.10215201151394696,0.2725481461174697,0.24390891645534918,0.2420927283942156,0.21517545062024535
EOS-3-10453,Cn1ncc(-c2cnc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)n1,RHSCJJAKWARJQH-UHFFFAOYSA-N,3,1,0.282,33,432,456.445,2.075,6,0.398,0.72,0.531,0.14227948735521898,0.16308854773490508,0.07287026249057638,0.09765437598519636,0.1189731683914742
EOS-3-10454,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)n1C,GKLRUCQEDMYRRP-UHFFFAOYSA-N,3,1,0.412,92,185,443.431,0.758,5,0.396,0.72,1.0,0.2526900143924337,0.12940339935576725,0.007187649921184292,0.0020731958056336096,0.09783856486875471
EOS-3-10455,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nc1,BIBAYNVXUWLNGE-UHFFFAOYSA-N,3,1,0.28,70,968,438.48,3.167,6,0.412,0.69,1.0,0.0684754300596258,0.087476869302995,0.10877424439723117,0.15465012679048729,0.1048441676375848
EOS-3-10456,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)nc2)n(C)n1,BIWAAHUPCIVXMR-UHFFFAOYSA-N,3,1,0.35,82,974,426.484,3.185,5,0.47,0.71,1.0,0.12876087999451716,0.09678054965389624,0.4389777945308752,0.2041412514563772,0.21716511890891643
EOS-3-10457,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cccc(F)c5)c4)n23)cc1,YAYGJQBTHVGDNL-UHFFFAOYSA-N,3,1,0.38,9,774,448.465,4.455,6,0.396,0.81,1.0,0.18377767116715785,0.26225926941265165,0.6905541086971421,0.7190305667877459,0.46390540401617436
EOS-3-10458,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)c(F)c4)n23)cc1,QXCAWHGEALAKRJ-UHFFFAOYSA-N,3,1,0.364,93,228,448.465,4.455,6,0.396,0.81,1.0,0.2713230758686862,0.3186810362552258,0.6226355287505997,0.7081677061202111,0.48020183674868067
EOS-3-10459,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cn4)n23)nc1,SJPWCDRKEZYSJE-UHFFFAOYSA-N,3,1,0.258,99,652,435.455,2.444,6,0.414,0.66,0.999,0.072493317798643,0.025589404427386744,0.08895038037146186,0.08267082448084435,0.06742598176958399
EOS-3-10460,Cc1cnc(-c2cc(-c3nnc4cncc(Cc5ccc(Cl)c(F)c5)n34)nc(C)n2)cn1,LPQPLGLSKDFARU-UHFFFAOYSA-N,3,1,0.34,85,330,446.877,4.038,5,0.411,0.76,1.0,0.30858063189637447,0.337605373175245,0.49808100884106643,0.5371033513809883,0.42034259132341856
EOS-3-10461,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)nc1,XPYDAADJAVAFLC-UHFFFAOYSA-N,3,1,0.296,10,37,434.467,3.143,6,0.42,0.71,0.997,0.0004197793160167226,0.004609005551367281,0.1713898978822562,0.16794599410595573,0.08609116921389898
EOS-3-10462,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)nc5)n34)cn2)cc1,GRRNNXBDMHNAIK-UHFFFAOYSA-N,3,1,0.311,94,673,453.416,3.774,6,0.375,0.78,0.751,0.018735864574052498,0.1670978685491056,0.6905626756219587,0.7378092659858817,0.40355141868274963
EOS-3-10463,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cn1,UNIAIHMQEZBPGX-UHFFFAOYSA-N,3,1,0.316,25,213,437.492,3.772,6,0.414,0.73,1.0,0.08495819340689466,0.11899458570351587,0.21529538756767871,0.2895706257281886,0.17720469810156947
EOS-3-10464,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)c1,QAJSCAKLLXKTJR-UHFFFAOYSA-N,3,1,0.342,25,791,449.453,3.85,6,0.377,0.79,1.0,0.15357926118840382,0.2776111986841204,0.5294616544445206,0.5918374340346789,0.3881223870879309
EOS-3-10465,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cc5)n34)nc2)cn1,RQQFMAPSDDDBOQ-UHFFFAOYSA-N,3,1,0.325,42,106,449.453,3.85,6,0.377,0.79,1.0,0.1203138921252827,0.2622678363374683,0.6048334589815639,0.5886591049276951,0.3940185730930025
EOS-3-10466,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)ccc1Cl,DNIZSAVEWUPVOQ-UHFFFAOYSA-N,3,1,0.57,73,540,434.822,3.41,5,0.414,0.73,1.0,0.8061390583236242,0.9489839627167432,0.6226440956754163,0.6508978137207868,0.7571662326091426
EOS-3-10467,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,KECLPPXHOYCAGF-UHFFFAOYSA-N,3,1,0.459,51,196,434.822,3.41,5,0.414,0.73,1.0,0.8508755397162634,0.869739908162566,0.5395106572544719,0.582627989856761,0.7106885237475156
EOS-3-10468,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)cnn1,RDUIMDLEJQBVDW-UHFFFAOYSA-N,3,1,0.273,99,112,423.4,2.094,6,0.414,0.73,0.999,0.07634843396614352,0.04023027893907203,0.05100747035844013,0.07747926804194366,0.061266362826399835
EOS-3-10469,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(C)nc6)n5)n34)cc2)nc1,FUUFSXSMVTXZRR-UHFFFAOYSA-N,3,1,0.316,3,973,446.478,3.508,6,0.404,0.72,1.0,0.014332465218285245,0.054956822698924,0.17139846480707285,0.17607600575697346,0.1041909396203139
EOS-3-10470,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccnc(F)c5)ccn4)n23)c(F)c1,KPOQJPFXIRDRSA-UHFFFAOYSA-N,3,1,0.394,14,358,443.417,3.216,5,0.418,0.67,1.0,0.2501627715715167,0.2674251250771023,0.7192790076074292,0.6798454526763074,0.4791780892330889
EOS-3-10471,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)nc1)N1CCCC1,RMWNKQIIUZEASW-UHFFFAOYSA-N,3,1,0.324,52,821,465.492,4.29,6,0.393,0.81,0.993,0.054100130217257215,0.09366218902062916,0.03042115002398739,0.18181584538414092,0.08999982866150368
EOS-3-10472,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4nnc(-c5ccsc5)s4)n23)cn1,RCLJTCDVZNCZCU-UHFFFAOYSA-N,3,1,0.347,85,290,460.548,3.249,6,0.414,0.74,1.0,0.038928106366938525,0.06271845658282503,0.007573161537934343,0.01384415050373518,0.03076596874785827
EOS-3-10473,CCc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,BZJRZWQFAWMEFG-UHFFFAOYSA-N,3,1,0.321,52,582,461.529,4.37,6,0.403,0.84,1.0,0.1644335549311219,0.08077753409636076,0.21530395449249537,0.22741758618326366,0.17198315742581044
EOS-3-10474,Cc1cnc(-c2ncncc2-c2nnc3cncc(OCCc4ccncc4)n23)cc1F,HRSDBKSVOZRRNE-UHFFFAOYSA-N,3,1,0.489,65,393,428.431,3.107,5,0.406,0.73,0.999,0.619996915907066,0.5973202659173463,0.4022770886162703,0.3686433417860325,0.4970594030566788
EOS-3-10475,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)cn1,YBQDNBHDWJJKIY-UHFFFAOYSA-N,3,1,0.33,25,213,462.477,3.114,6,0.38,0.78,1.0,0.19787026249057638,0.14377869919813585,0.22954218353779726,0.18990302241107532,0.19027354190939622
EOS-3-10476,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(CO)nc4)n23)cc1Cl,IGCJORSMGKTPEH-UHFFFAOYSA-N,3,1,0.558,16,353,447.886,3.312,5,0.426,0.74,1.0,0.6487132478925365,0.6018179014460969,0.5983311630457131,0.5405215543828388,0.5973459666917964
EOS-3-10477,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)cn1,FULNBGAMZUJRAG-UHFFFAOYSA-N,3,1,0.292,9,339,459.473,3.776,6,0.38,0.77,1.0,0.3339130285792612,0.17986258652594064,0.49458570351586595,0.4097046124323213,0.3545164827633473
EOS-3-10478,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(F)cn5)n4)n23)nc1,HSUIFLBJBPZOIJ-UHFFFAOYSA-N,3,1,0.392,46,775,461.392,1.994,5,0.401,0.7,1.0,0.5270457816462203,0.26227640326228496,0.20844184771434446,0.1790230278939072,0.29419676512918924
EOS-3-10479,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cn1,ZCKKVSJFUCJPJN-UHFFFAOYSA-N,3,1,0.351,42,608,447.437,3.906,6,0.4,0.73,1.0,0.2984545267630731,0.395012336371736,0.5225738468919197,0.5038465492426838,0.42997181481735314
EOS-3-10480,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cc1,KDOKAADRAAKQRS-UHFFFAOYSA-N,3,1,0.316,32,543,447.437,3.906,6,0.4,0.73,0.996,0.19787882941539306,0.2983859913645398,0.420156260708656,0.5235761770954698,0.35999931464601465
EOS-3-10481,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1,AMPQUFMTYCXIPT-UHFFFAOYSA-N,3,1,0.325,64,27,435.426,3.84,6,0.448,0.7,1.0,0.19788739634020971,0.24713864711123296,0.5089181687341512,0.6035998218079638,0.38938600849838945
EOS-3-10482,Cc1cc(CNC(=O)c2ccc(-c3cncc4nnc(-c5cnc(CO)cn5)n34)cn2)ccn1,YXRAPOPZZMBQQX-UHFFFAOYSA-N,3,1,0.321,82,514,453.466,1.769,5,0.393,0.74,1.0,0.3060533890754575,0.12242992255499965,0.1255568501130834,0.0629925981769584,0.15425818998012475
EOS-3-10483,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,GVXQBWRCHPOPTE-UHFFFAOYSA-N,3,1,0.429,8,553,421.424,3.304,6,0.426,0.78,1.0,0.14489239942430265,0.08424713864711124,0.10878281132204784,0.16017579329723802,0.12452453567267495
EOS-3-10484,Cn1cncc1-c1nc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)ncc1F,GFJVQOCSLCTSDE-UHFFFAOYSA-N,3,1,0.353,50,974,431.435,2.41,5,0.461,0.64,0.784,0.3085891988211911,0.32806181892947706,0.3277362757864437,0.17903159481872388,0.2858547220889589
EOS-3-10485,CNC(=O)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5cncc(F)c5)n4)n23)cc1,YWVPQNVDASEFSK-UHFFFAOYSA-N,3,1,0.346,74,333,415.392,2.137,5,0.46,0.84,1.0,0.1780978000137071,0.2471472140360496,0.23332019738194779,0.20092008772531011,0.21487132478925364
EOS-3-10486,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)no1,KCOGGLHUOGQYML-UHFFFAOYSA-N,3,1,0.307,42,608,433.435,3.669,6,0.41,0.74,1.0,0.16170927283942158,0.15551538619697072,0.19450346103762595,0.1870930710712083,0.17470529778630664
EOS-3-10487,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5ccccc5)cn4)n23)cc1,RNTVUEPLDZGNRP-UHFFFAOYSA-N,3,1,0.489,89,637,461.485,2.92,5,0.401,0.72,1.0,0.5744551435816599,0.3033548077582071,0.4945942704406826,0.3364831060242615,0.4272218319512028
EOS-3-10488,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncccc4OCc4ccc(F)c(F)c4)n23)cc1,PWDQBFCWAJLPAG-UHFFFAOYSA-N,3,1,0.449,62,504,472.455,4.07,5,0.4,0.82,1.0,0.6913936673291755,0.6209649784113495,0.8115533548077583,0.7111661298060448,0.7087695325885819
EOS-3-10489,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)cn1,NGCSBGJMIZTTSO-UHFFFAOYSA-N,3,1,0.321,86,812,437.402,2.63,6,0.441,0.66,0.996,0.21717154410252895,0.30336337468302377,0.272539579192653,0.2806010554451374,0.26841888835583577
EOS-3-10490,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cn1,FEJZOWYKAPXQLS-UHFFFAOYSA-N,3,1,0.308,10,945,432.451,3.106,6,0.418,0.71,0.186,0.13417517647865124,0.02326776780206977,0.13414947570420122,0.17608457268179015,0.11691924816667809
EOS-3-10491,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnnc(-c5nn[nH]n5)c4)n23)cc1,GCDLXIKLFXOGES-UHFFFAOYSA-N,3,1,0.321,74,295,425.416,1.321,6,0.424,0.76,1.0,0.11791515317661572,0.033993557672537866,0.024921184291686656,0.042294907819888976,0.054781200740182306
EOS-3-10492,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(C#N)c5)n34)cc2)cc1=O,GGNRXBLDJIXANQ-UHFFFAOYSA-N,3,1,0.541,43,230,453.437,3.142,5,0.402,0.74,1.0,0.8271965595229936,0.6018264683709136,0.8051795627441574,0.7532896991296004,0.7468730724419163
EOS-3-10493,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)cc2)cc1,NKTGIZMGSCVOOT-UHFFFAOYSA-N,3,1,0.352,93,689,417.436,3.496,6,0.433,0.84,1.0,0.03735179220067165,0.07727366184634364,0.2367726680830649,0.3553303406209307,0.17668211568775272
EOS-3-10494,Cn1nnc(-c2ccc(F)cc2)c1-c1nnc2cncc(-c3cnn(-c4ccccc4)n3)n12,JZZGTUMYNRABFM-UHFFFAOYSA-N,3,1,0.287,10,39,438.43,2.974,6,0.417,0.69,0.993,0.006699335206634227,0.10651257624563087,0.12299533959289974,0.2391971078061819,0.11885108971283667
EOS-3-10495,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)cc1,LTRINRWBZNVMAD-UHFFFAOYSA-N,3,1,0.299,30,515,429.447,3.767,6,0.417,0.75,0.999,0.11792372010143239,0.09367075594544583,0.22233739976697964,0.27773970255637037,0.17791789459255705
EOS-3-10496,c1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)nc1,BNDDGUPLMVTMTR-UHFFFAOYSA-N,3,1,0.333,32,957,429.447,3.767,6,0.417,0.75,1.0,0.08496676033171133,0.10652114317044753,0.3613528887670482,0.3878503872250017,0.2351727948735522
EOS-3-10497,Fc1ccc(-c2nc[nH]c2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,MRRXYFJYCIUEJG-UHFFFAOYSA-N,3,1,0.301,10,572,425.387,3.433,6,0.456,0.72,0.568,0.19502604345144267,0.2471557809608663,0.3950723048454527,0.4634534987320951,0.3251769069974642
EOS-3-10498,OCc1cc(F)cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4Cl)n23)c1,IFEYNXXFGKQEDZ-UHFFFAOYSA-N,3,1,0.562,23,17,434.805,4.593,4,0.48,0.78,1.0,0.9534558974710438,0.968019669659379,0.9929665547255158,0.9921098622438489,0.9766379960249468
EOS-3-10499,Cn1cc(-c2ncccc2-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cn1,PWTDBYKLNRSSJU-UHFFFAOYSA-N,3,1,0.317,64,449,449.453,3.85,6,0.403,0.75,1.0,0.10216057843876362,0.16309711465972174,0.402285655541087,0.46666609553834554,0.28355236104447945
EOS-3-10500,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)nn1,QAKZFUBQUAGLMH-UHFFFAOYSA-N,3,1,0.293,98,890,435.455,2.444,6,0.414,0.68,1.0,0.023935987937769857,0.027945308751970394,0.14042903159481873,0.1331728462751011,0.08137079363991502
EOS-3-10501,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)nc1,FEBFWJLJPCBOBB-UHFFFAOYSA-N,3,1,0.296,99,968,435.455,2.444,6,0.414,0.68,1.0,0.08076040024672744,0.05887190734014118,0.11411143855801521,0.10187786991981358,0.08890540401617435
EOS-3-10502,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)nc2)cn1,IOUHRYWWTNVIBQ-UHFFFAOYSA-N,3,1,0.455,46,109,419.395,3.444,5,0.434,0.8,1.0,0.527054348571037,0.45862175313549447,0.8134637790418752,0.7711945719964362,0.6425836131862106
EOS-3-10503,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(C(F)(F)F)nn5)cn4)n23)cn1,KTYAEJNWXAHVFZ-UHFFFAOYSA-N,3,1,0.383,50,845,465.359,1.613,5,0.412,0.67,1.0,0.21989582619422932,0.24200705914604895,0.2840106915221712,0.1679545610307724,0.22846703447330546
EOS-3-10504,CNC(=O)c1ccc(-c2nnc3cncc(-c4sc(-c5ccnn5C)cc4F)n23)cc1F,NFZDCMHAOKWRGJ-UHFFFAOYSA-N,3,1,0.341,74,768,451.462,3.558,5,0.451,0.67,1.0,0.24444863271879927,0.2569477760263176,0.5016020149407169,0.4413936673291755,0.36109802275375236
EOS-3-10505,c1cnc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccnnc6)c5)n34)nc2)nc1,JEPQSFWXLMPDMF-UHFFFAOYSA-N,3,1,0.268,42,967,430.435,3.162,6,0.415,0.72,1.0,0.10715509560688095,0.08748543622781166,0.33152285655541086,0.3395586320334453,0.21643050510588718
EOS-3-10506,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,NAQDGAVNYFJGEE-UHFFFAOYSA-N,3,1,0.312,9,98,434.463,4.392,6,0.397,0.82,1.0,0.13701082859296826,0.08078610102117743,0.342325748749229,0.35241758618326363,0.22813506613665957
EOS-3-10507,Cn1nnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)c(F)c1,CFXQHLFGXRFADB-UHFFFAOYSA-N,3,1,0.457,61,451,470.428,2.167,5,0.368,0.8,1.0,0.5689466109245426,0.48079295456103077,0.3093173874306079,0.24488554588444933,0.40098562470015764
EOS-3-10508,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)c(F)c5)n4)n23)cn1,BDQSBFIRBJYNQX-UHFFFAOYSA-N,3,1,0.35,22,844,461.848,2.857,5,0.433,0.66,0.718,0.29022171201425534,0.36673291755191556,0.33520663422657804,0.38445788499760125,0.3441547871975875
EOS-3-10509,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nn1,CSZDPFMROVVIAB-UHFFFAOYSA-N,3,1,0.671,91,742,443.898,4.227,5,0.388,0.77,1.0,0.8164707696525255,0.8860084983894181,0.5327342197244876,0.5762027962442602,0.7028540710026728
EOS-3-10510,Cc1ccnc(-c2nc(Cl)ncc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,NMMSBGVZSHQBOJ-UHFFFAOYSA-N,3,1,0.37,74,139,442.87,3.371,5,0.423,0.68,1.0,0.20610307723939414,0.2622849701871016,0.35760057569734766,0.3204201219930094,0.2866021862792132
EOS-3-10511,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)nn1C,QNAOGMWZHJQCLC-UHFFFAOYSA-N,3,1,0.38,14,81,433.878,4.279,5,0.423,0.78,1.0,0.25017133849633333,0.4586303200603111,0.6495099719004866,0.6738743060790898,0.5080464841340552
EOS-3-10512,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cc1,BOFDWZGYGKNQCT-UHFFFAOYSA-N,3,1,0.56,20,447,434.851,2.047,5,0.395,0.72,1.0,0.6339610033582346,0.630003084092934,0.07504626139401001,0.10829449660749778,0.36182621136316906
EOS-3-10513,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,BBZMTNTWLHCXAG-UHFFFAOYSA-N,3,1,0.602,35,234,427.443,3.712,5,0.408,0.76,1.0,0.8008104310876568,0.7925090809403057,0.6136573915427318,0.547169488040573,0.6885365979028168
EOS-3-10514,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4cncnc4-c4cccc(Cl)c4)n23)c1,WNUBTHLLQCNYGS-UHFFFAOYSA-N,3,1,0.326,94,219,467.884,3.154,6,0.384,0.77,0.999,0.1257967240079501,0.20205092180111028,0.21205708998697828,0.35242615310808034,0.22308272222602976
EOS-3-10515,N#Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cn1,DNWWBNRCUBBSBB-UHFFFAOYSA-N,3,1,0.448,87,207,455.869,3.185,5,0.379,0.72,0.999,0.6795199095332739,0.712990884791995,0.4913302720855322,0.5235847440202864,0.6018564526077719
EOS-3-10516,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6ncccn6)nc5)n34)cn2)c1F,JAMUWEZXZGJNNB-UHFFFAOYSA-N,3,1,0.286,42,72,465.427,4.046,6,0.384,0.8,1.0,0.30606195600027414,0.37149612774998286,0.619739908162566,0.6537077650606539,0.48775143924336917
EOS-3-10517,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)nn1,GVGXULLBVUSKQZ-UHFFFAOYSA-N,3,1,0.511,73,212,437.826,2.748,5,0.413,0.7,1.0,0.4988520320745665,0.6935525323829758,0.40229422246590363,0.46667466246316225,0.515343362346652
EOS-3-10518,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cc(C)ccn5)cn4)n23)nc1,VHGTUNCDFRMAMX-UHFFFAOYSA-N,3,1,0.421,33,53,453.466,2.285,5,0.411,0.67,1.0,0.3825217599890343,0.12941196628058393,0.119996915907066,0.054091563292440546,0.17150555136728118
EOS-3-10519,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCc5ccoc5)cc4)n23)cn1,DRZARYRFBMMAHR-UHFFFAOYSA-N,3,1,0.339,62,139,476.5,3.777,6,0.389,0.85,1.0,0.16980501679117263,0.07009457884997601,0.40929340004112125,0.277748269481187,0.23173531629086425
EOS-3-10520,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)n1,OJVCEVMPQZQNQH-UHFFFAOYSA-N,3,1,0.259,38,179,446.478,3.414,6,0.405,0.71,1.0,0.04620999246110616,0.018984305393735863,0.21531252141731205,0.18710163799602494,0.11690211431704475
EOS-3-10521,COc1ccc(Cl)cc1-c1nnc2cncc(OCc3cnnc(-c4nccn4C)c3)n12,ADZSYRUXOOTXBW-UHFFFAOYSA-N,3,1,0.448,16,659,448.874,3.223,5,0.39,0.77,0.886,0.44546295661709273,0.43233842779795767,0.3540196011239805,0.30513672812007403,0.38423942841477626
EOS-3-10522,Cn1nc(-c2nnc3cncc(OCc4nccnc4Cl)n23)cc1-c1ccc(F)cc1,PZADDIZOWFVMAE-UHFFFAOYSA-N,3,1,0.433,95,965,436.838,3.353,5,0.417,0.74,0.774,0.3938215338222192,0.4323469947227743,0.4023027893907203,0.49389178260571587,0.43059077513535743
EOS-3-10523,O=C(O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(Cl)ccc5Cl)no4)n23)cc1,BCUKLFFWPDHXGK-UHFFFAOYSA-N,3,1,0.406,45,837,453.245,4.513,5,0.422,0.86,1.0,0.23093859228291413,0.19257590295387567,0.5950500308409293,0.6592848331163046,0.41946233979850595
EOS-3-10524,Cn1cnnc1-c1ccc(Cl)c(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)c1,GPKKBJYVTZLHAL-UHFFFAOYSA-N,3,1,0.314,99,765,470.888,2.493,6,0.381,0.77,1.0,0.20611164416421082,0.39502090329655265,0.09570968405181277,0.16530738126242203,0.2155374031937496
EOS-3-10525,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnnc(Cl)c5)n34)cn2)nc1,ORQYLRBXMSRIQD-UHFFFAOYSA-N,3,1,0.477,55,283,434.822,3.41,5,0.414,0.71,1.0,0.8318398327736276,0.8241724350627099,0.591888835583579,0.6218730724419163,0.7174435439654583
EOS-3-10526,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c(Cl)c1,AUYXFFPXQZTCSV-UHFFFAOYSA-N,3,1,0.355,25,508,456.857,3.352,6,0.392,0.74,1.0,0.247447056404633,0.3134809128915085,0.27666027002947025,0.37190734014118293,0.3023738948666987
EOS-3-10527,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(F)c5)c4)n23)cc1,VKNMWEZLHDYQKZ-UHFFFAOYSA-N,3,1,0.484,89,230,455.453,3.326,5,0.391,0.73,1.0,0.7431036255225825,0.4232831882667398,0.622652662600233,0.4634620656569118,0.5631253855116167
EOS-3-10528,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cn2)nn1,YFDAUFFDQLGJKM-UHFFFAOYSA-N,3,1,0.289,99,968,448.454,2.204,6,0.394,0.68,1.0,0.07635700089096017,0.0402388458638887,0.05840929340004112,0.054100130217257215,0.0572763175930368
EOS-3-10529,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cc2)n1C,VEPDAQMGECXYKX-UHFFFAOYSA-N,3,1,0.347,3,289,451.469,3.887,6,0.404,0.74,1.0,0.049251250771023235,0.2163319854704955,0.412703036118155,0.41924816667808923,0.27438360975944076
EOS-3-10530,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cccnn5)n4)n23)cc1,XNIKTAKGMKXBAJ-UHFFFAOYSA-N,3,1,0.311,98,882,434.427,1.896,6,0.404,0.67,1.0,0.07636556781577684,0.02795387567678706,0.05480261805222397,0.06620519498320883,0.05633181413199917
EOS-3-10531,c1ccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5cccnc5)nn4)n23)nc1,HDOYIMOKACYIRH-UHFFFAOYSA-N,3,1,0.299,94,892,432.411,1.952,6,0.402,0.68,0.995,0.06117641011582482,0.07378692344595984,0.031586251799054214,0.0584692618737578,0.056254711808649174
EOS-3-10532,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cn1,YKZLTVMFNWZVNF-UHFFFAOYSA-N,3,1,0.528,37,589,433.422,3.487,5,0.408,0.75,1.0,0.5137841820300185,0.49426872729764926,0.7270749091905969,0.6997978205743266,0.6087314097731478
EOS-3-10533,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cccnn5)ccc4F)n23)cc1,ASBKOAFFAJUXKP-UHFFFAOYSA-N,3,1,0.325,9,98,449.453,3.85,6,0.403,0.73,1.0,0.2006887807552601,0.26743369200191897,0.5595401274758413,0.5730844356109931,0.4001867589610033
EOS-3-10534,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccccc4OC4CCCCC4F)n23)cc1,BJUMVKGLVIFVBQ-UHFFFAOYSA-N,3,1,0.352,0,21,445.498,4.477,5,0.49,0.71,0.998,0.4087708176273045,0.3033719416078404,0.3727725995476664,0.4319786169556576,0.37922349393461724
EOS-3-10535,Cc1cc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cc4)n23)c(F)cc1Cl,PQLUSQLETOUPDJ-UHFFFAOYSA-N,3,1,0.317,61,917,420.839,3.75,5,0.442,0.78,1.0,0.3164793365773422,0.4632992940853951,0.6107275032554315,0.679854019601124,0.5175900383798232
EOS-3-10536,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cnn(C)c6)c5)n34)cc2)n[nH]1,SCDBJBQJUMQOBW-UHFFFAOYSA-N,3,1,0.278,42,725,434.467,3.347,6,0.452,0.76,1.0,0.05581351518059077,0.07379549037077651,0.3352152011513947,0.28060962236995407,0.186358457268179
EOS-3-10537,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nnc(C)o5)c4)n23)cc1,WBQMADYGEOCWAG-UHFFFAOYSA-N,3,1,0.5,89,398,456.466,2.873,5,0.392,0.73,1.0,0.4042731820985539,0.1260108971283668,0.11412000548283188,0.04756356658213968,0.17299191282297305
EOS-3-10538,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)c1,VHYYLXNWSGUBDW-UHFFFAOYSA-N,3,1,0.329,64,27,449.453,3.85,6,0.403,0.77,1.0,0.13701939551778494,0.2163405523953122,0.3803457610856007,0.4729113837296964,0.30165427318209853
EOS-3-10539,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)no4)n23)cn1,MBMJXAOQCWZQKX-UHFFFAOYSA-N,3,1,0.366,42,945,421.424,3.304,6,0.426,0.81,0.999,0.18970598314029197,0.12243848947981632,0.10879137824686451,0.12669625111370023,0.13690802549516826
EOS-3-10540,Cc1ncc(-c2nc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ccc2F)s1,XSKWMDMMGSDGNZ-UHFFFAOYSA-N,3,1,0.308,33,776,472.509,3.712,6,0.415,0.79,0.938,0.09954766636967995,0.2114916729490782,0.07505482831882668,0.11773524775546569,0.12595735384826265
EOS-3-10541,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,WOVZMXCRARGPOS-UHFFFAOYSA-N,3,1,0.282,70,213,433.439,2.501,6,0.412,0.67,1.0,0.038936673291755194,0.030703858542937428,0.12556541703790008,0.15748577890480434,0.08817293194434926
EOS-3-10542,Cc1cc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cnc1CO,QOHVPRPCYVZKOV-UHFFFAOYSA-N,3,1,0.321,61,917,417.408,1.984,5,0.471,0.76,0.999,0.2957216777465561,0.3425913234185457,0.2257813035432801,0.25080529093276677,0.2787248989102872
EOS-3-10543,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,ZOOAABGPSHLFIY-UHFFFAOYSA-N,3,1,0.506,15,921,444.886,3.622,5,0.391,0.72,1.0,0.7219690219998629,0.7623792063600849,0.24740422178054966,0.2687872661229525,0.5001349290658625
EOS-3-10544,COc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C)nc5)n34)c2)nc1,SSOXVHVQNDNZBE-UHFFFAOYSA-N,3,1,0.523,7,205,426.44,2.934,5,0.404,0.78,1.0,0.46882496059214585,0.3667414844767322,0.2689928723185525,0.1420653142348023,0.31165615790555823
EOS-3-10546,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)nc2)nc1,RAJHCXRJUGRUDO-UHFFFAOYSA-N,3,1,0.313,32,557,454.457,3.639,6,0.391,0.77,1.0,0.18107052292509082,0.21634911932012885,0.4567027619765609,0.44787882941539303,0.3255003084092934
EOS-3-10547,CCn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)cc1,UBPQOQJNIOLFJC-UHFFFAOYSA-N,3,1,0.281,98,369,448.494,3.532,6,0.397,0.75,1.0,0.12876944691933384,0.03685491056130492,0.152594064834487,0.1445325885820026,0.11568775272428208
EOS-3-10548,Cc1nc(-c2ccc(CO)nc2)cc(-c2nnc3cncc(CNc4ccc(F)c(F)c4)n23)n1,QHJOJQYVOVQVMG-UHFFFAOYSA-N,3,1,0.299,44,500,460.448,3.334,5,0.397,0.76,0.586,0.28474744705640465,0.22148070728531286,0.5918974025083956,0.5235933109451032,0.4054297169488041
EOS-3-10549,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4F)n23)c(F)c1,BGCUQPLOLXACSD-UHFFFAOYSA-N,3,1,0.329,64,27,468.431,3.384,6,0.387,0.77,1.0,0.20069734768007677,0.29839455828935646,0.35760914262216437,0.4939003495305325,0.3376503495305325
EOS-3-10550,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)nc(C)n4)n23)cc1F,FEMIDSGFQVKCHH-UHFFFAOYSA-N,3,1,0.459,89,788,471.456,2.424,5,0.396,0.74,0.996,0.5114539784798848,0.3715046946747995,0.2153210883421287,0.13520320745665135,0.3083707422383661
EOS-3-10552,c1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cncnc6)cn5)n34)cn2)cc1,QZPLNKXBOWMANG-UHFFFAOYSA-N,3,1,0.288,94,515,429.447,3.767,6,0.417,0.73,1.0,0.06293262970324172,0.0807946679459941,0.402311356315537,0.44140223425399217,0.24686022205469124
EOS-3-10553,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,OTNXZGLUADABRJ-UHFFFAOYSA-N,3,1,0.312,86,968,434.427,1.896,6,0.404,0.68,1.0,0.11214104585018161,0.07728222877116031,0.062470015763141665,0.07367555342334316,0.08139221095195669
EOS-3-10554,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)cc2)n1,MYXHPZFIBRUMAV-UHFFFAOYSA-N,3,1,0.293,98,882,435.455,2.444,6,0.414,0.69,1.0,0.08728839695702831,0.08080323487081077,0.10346275101089712,0.09572681790144609,0.09182030018504558
EOS-3-10555,CCn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cc5)n34)cc2)nc1C,GNNDPVMKIQBLML-UHFFFAOYSA-N,3,1,0.295,9,98,448.494,3.83,6,0.426,0.71,1.0,0.1866304571311082,0.1437872661229525,0.2581128778013844,0.2242392570762799,0.20319246453293127
EOS-3-10556,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)c(F)c1,IZUMCZFIVRJBES-UHFFFAOYSA-N,3,1,0.329,98,968,440.402,2.838,6,0.407,0.69,1.0,0.2791960797752039,0.3083064903022411,0.25101089712836683,0.26879583304776916,0.27682732506339525
EOS-3-10557,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)nc2)n1,UVKBQFNGUSTZGO-UHFFFAOYSA-N,3,1,0.347,74,768,414.404,2.492,5,0.483,0.77,1.0,0.15358782811322047,0.19258446987869235,0.43119045987252413,0.36228668357206495,0.2849123603591255
EOS-3-10558,CCOc1cnc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cn1,ZYCOBHZQYWBCBF-UHFFFAOYSA-N,3,1,0.433,68,127,417.351,2.973,4,0.472,0.78,1.0,0.45266774038791036,0.5306267562195874,0.8478771160304297,0.6480364608320197,0.6198020183674868
EOS-3-10559,Fc1cccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,BGIPRZQQGCIIIE-UHFFFAOYSA-N,3,1,0.333,30,991,434.438,4.24,6,0.413,0.76,1.0,0.019738194777602632,0.1671064354739223,0.5855750119936948,0.6537163319854705,0.35653399355767257
EOS-3-10560,Cc1ncc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)n1,NCMJFPFYZODPTI-UHFFFAOYSA-N,3,1,0.29,10,298,449.453,3.944,6,0.402,0.76,0.945,0.009140908779384551,0.1294205332054006,0.2803097800013707,0.37839250222740045,0.19931593105338907
EOS-3-10561,Fc1cc(-c2nnco2)cnc1Oc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,MLUQSYMSHURLNB-UHFFFAOYSA-N,3,1,0.425,72,706,425.33,4.105,5,0.414,0.82,1.0,0.8551761359742307,0.7753323966828867,0.8619868412034816,0.8096857651977246,0.8255452847645809
EOS-3-10562,Cn1cc(-c2cccc(-c3nnc4cncc(COc5cc(F)cc(Cl)c5)n34)c2)cn1,LGISDTKLNLLMLT-UHFFFAOYSA-N,3,1,0.411,14,189,434.862,4.563,5,0.405,0.82,1.0,0.3686690425604825,0.4942772942224659,0.8823161537934343,0.8809283119731341,0.6565477006373792
EOS-3-10563,NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)n4)n23)cn1,CCEXQLJLLUZBSN-UHFFFAOYSA-N,3,1,0.364,22,331,417.82,2.186,5,0.474,0.73,0.996,0.019746761702419298,0.14379583304776916,0.1404375985196354,0.2041498183811939,0.12703250291275442
EOS-3-10564,CCn1ccnc1-c1ccc(-c2cncc3nnc(-c4n[nH]c(-c5ccccn5)n4)n23)cc1,HAWMUCRVVKAHBR-UHFFFAOYSA-N,3,1,0.25,38,369,434.467,3.522,6,0.441,0.72,1.0,0.08729696388184498,0.05100747035844013,0.09827119457199644,0.11774381468028236,0.08857986087314099
EOS-3-10565,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)n1,VUNGGMCJUJJFLP-UHFFFAOYSA-N,3,1,0.329,38,746,433.439,2.501,6,0.412,0.68,1.0,0.07431807278459324,0.05888047426495785,0.09126345007196217,0.1222842848331163,0.0866865704886574
EOS-3-10566,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncc(Cl)nn5)c4)n23)cn1,DABQSRCQEKTDTG-UHFFFAOYSA-N,3,1,0.483,55,283,431.847,2.974,5,0.413,0.71,1.0,0.7003546706874101,0.7220632581728462,0.22578987046809676,0.22742615310808031,0.46890848810910835
EOS-3-10567,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)ncc4OCc4cccc(C)n4)n23)cc1,RCTNDKVONSQFSD-UHFFFAOYSA-N,3,1,0.33,74,124,466.505,3.199,5,0.405,0.77,1.0,0.27920464670002054,0.12244705640463299,0.18757281886094168,0.07748783496676033,0.16667808923308888
EOS-3-10568,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(C)nn6C)cn5)n34)cc2)nn1,JRXRTVLVPAKWKR-UHFFFAOYSA-N,3,1,0.287,98,424,448.494,3.451,6,0.407,0.73,1.0,0.00914947570420122,0.02796244260160373,0.205023644712494,0.157494345829621,0.09990747721197998
EOS-3-10569,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)ccn4)n23)cc1,BSYGNJHKZTYGOH-UHFFFAOYSA-N,3,1,0.453,46,949,424.399,3.233,5,0.422,0.73,1.0,0.8219536015351929,0.6254283462408334,0.6686056473168391,0.6422966212048523,0.6895710540744294
EOS-3-10570,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cc(F)c5)n34)c2)cn1,IOBDRZXSQUPVDQ-UHFFFAOYSA-N,3,1,0.593,84,752,433.422,3.487,5,0.408,0.78,1.0,0.5189072030703858,0.44556575971489276,0.7945565759714893,0.7532982660544171,0.6280819512027963
EOS-3-10571,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)cn2)nn1,UDORNHRPZLMAKR-UHFFFAOYSA-N,3,1,0.342,30,945,443.474,4.076,6,0.401,0.76,1.0,0.11793228702624906,0.1032314440408471,0.29126687684188884,0.29866013295867316,0.20277268521691455
EOS-3-10573,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncc(-c5nnnn5C)cn4)n23)c1,XJESANXWGWILOI-UHFFFAOYSA-N,3,1,0.259,86,654,448.454,2.204,6,0.394,0.69,1.0,0.06848399698444246,0.027971009526420395,0.02185422520731958,0.03096943321225413,0.03731966623260914
EOS-3-10574,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnnn6C)cn5)n34)nc2)ccn1,HQLZQAVFGDOUDH-UHFFFAOYSA-N,3,1,0.269,86,654,448.454,2.204,6,0.394,0.69,1.0,0.027319923240353643,0.04367418271537249,0.04742649578507299,0.052712288396957026,0.04278322253443904
EOS-3-10575,NC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4Oc4cc(F)ccc4F)n23)cc1F,QCSLEYDAMRVVSR-UHFFFAOYSA-N,3,1,0.353,96,533,462.391,4.162,5,0.42,0.75,1.0,0.5395449249537386,0.6396323075868686,0.8769875265574669,0.8494705640463299,0.726408830786101
EOS-3-10576,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)c(F)c1,XUVVOLGWYTWRNW-UHFFFAOYSA-N,3,1,0.444,46,223,435.369,3.64,5,0.389,0.79,1.0,0.8485110684668631,0.7962014255362895,0.7843362346652045,0.7851843602220547,0.8035582722226029
EOS-3-10577,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c(F)c1,ASBNHQOMMBZXIP-UHFFFAOYSA-N,3,1,0.342,9,642,439.414,3.443,6,0.411,0.7,1.0,0.2930316633541224,0.3475173051881297,0.46014666575286134,0.4666832293879789,0.3918447159207731
EOS-3-10578,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)nc2)cn1,XXVTWSBFMYFDDF-UHFFFAOYSA-N,3,1,0.384,89,310,470.468,3.443,5,0.384,0.79,1.0,0.3893495990679186,0.13633404153245152,0.28777157151668836,0.16018436022205468,0.24340989308477828
EOS-3-10579,CCn1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC)cc5Cl)n34)c2)n1,JJSCNLKQYGNTHD-UHFFFAOYSA-N,3,1,0.343,62,124,457.925,4.355,5,0.423,0.77,1.0,0.1589592899732712,0.27255671304228635,0.49460283736549926,0.45086011925159347,0.34424473990816257
EOS-3-10580,Cn1nc(-c2cccnn2)nc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,UFQIHCTWCPDETD-UHFFFAOYSA-N,3,1,0.315,8,42,423.4,2.094,6,0.414,0.74,1.0,0.1021691453635803,0.07380405729559317,0.027157151668836955,0.03527002947022137,0.059600095949557945
EOS-3-10581,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cn2)n1,IDPPZNBKRVYLGC-UHFFFAOYSA-N,3,1,0.333,42,150,449.453,3.944,6,0.402,0.74,1.0,0.02959872524158728,0.16310568158453842,0.4495750805290933,0.42246933040915635,0.26618720444109384
EOS-3-10582,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)nc5)n34)cn2)cc1,RZAQBLPMIALGNE-UHFFFAOYSA-N,3,1,0.333,42,106,428.459,4.372,6,0.411,0.81,1.0,0.15094064834487012,0.12601946405318348,0.48110993077924746,0.510314577479268,0.31709615516414225
EOS-3-10584,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)nc2)n1,STHKCTCWJJLLAF-UHFFFAOYSA-N,3,1,0.279,98,219,453.445,2.583,6,0.4,0.67,1.0,0.10716366253169762,0.2521588650538003,0.21876499211842917,0.24489411280926598,0.20574540812829828
EOS-3-10585,Clc1ccc(-c2nnc3cncc(COc4ncc(-c5ccc(Cl)nn5)cn4)n23)cc1,KUWXDHKTYFNNBO-UHFFFAOYSA-N,3,1,0.403,14,487,451.277,3.924,5,0.396,0.78,1.0,0.5916832293879789,0.717582756493729,0.5160544171064355,0.6036083887327804,0.607232197930231
EOS-3-10586,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccn4)n23)c(F)c1,OINKIDGFHSJZMH-UHFFFAOYSA-N,3,1,0.292,10,615,450.441,3.245,6,0.402,0.72,0.953,0.20334452744842713,0.22148927421012954,0.2510194640531835,0.3174559660064423,0.24832730792954563
EOS-3-10587,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5cnc(C(C)(C)O)cn5)n34)cc2)nn1C,XCTVLWWBEGGJFC-UHFFFAOYSA-N,3,1,0.29,85,60,440.511,3.108,5,0.447,0.67,0.986,0.09236858337331232,0.07010314577479268,0.3540281680487972,0.15750291275443767,0.16850070248783494
EOS-3-10589,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(C#N)c6)c5)n34)cc2)ncn1,GFFILIUVQGKCBH-UHFFFAOYSA-N,3,1,0.309,3,668,455.485,4.281,6,0.39,0.79,1.0,0.019755328627235967,0.09978754026454664,0.7062230141868275,0.6651189089164553,0.37272119799876635
EOS-3-10590,COc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)cs1,KXCFPLLQVAQXNV-UHFFFAOYSA-N,3,1,0.282,52,776,470.518,3.273,6,0.401,0.78,0.821,0.2143101912137619,0.09979610718936331,0.04405112740730587,0.03978479884860531,0.0994855561647591
EOS-3-10591,Cc1cnc(-c2nc(Cc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)nn1,OJLAEYLLDBKCQJ-UHFFFAOYSA-N,3,1,0.408,14,81,432.85,3.73,5,0.427,0.69,1.0,0.4571739428414776,0.6548214652868206,0.3387876087999452,0.484939346172298,0.4839305907751353
EOS-3-10592,Cn1cc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)c2)nn1,HEMJUBXJASVNTF-UHFFFAOYSA-N,3,1,0.269,64,495,432.451,3.106,6,0.418,0.72,1.0,0.03894524021657186,0.007221917620450963,0.17802069769035708,0.2186193543965458,0.11070180248098144
EOS-3-10593,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)cc2)n1,OTWQEHSQDPHWHR-UHFFFAOYSA-N,3,1,0.312,9,508,432.451,3.106,6,0.418,0.72,1.0,0.11214961277499828,0.0627270235076417,0.3130439997258584,0.33315057227057776,0.20526780206976902
EOS-3-10594,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccnc(Cl)c5)n4)n23)cc1,IZXSSBOXJKZGOR-UHFFFAOYSA-N,3,1,0.31,8,890,456.861,2.278,6,0.366,0.75,1.0,0.026094852991570147,0.15149749845795354,0.07506339524364335,0.13521177438146803,0.09696688026865877
EOS-3-10596,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5F)cn4)n23)cc1,LGJLUHUKZLLICI-UHFFFAOYSA-N,3,1,0.438,96,837,411.4,3.153,5,0.486,0.92,1.0,0.20070591460489343,0.23664416421081488,0.5730930025358097,0.5536289493523405,0.3910180076759646
EOS-3-10597,FC(F)Oc1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccnc5)c4)n23)cc1,IBTHKOBBUNKBMY-UHFFFAOYSA-N,3,1,0.531,14,121,430.418,4.441,5,0.396,0.82,1.0,0.6611181550270715,0.6351689397573846,0.9053868823247208,0.8780241244602838,0.7699245253923652
EOS-3-10598,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)cn1,UEAZNOOCYPIXKJ-UHFFFAOYSA-N,3,1,0.639,84,73,431.406,3.543,5,0.406,0.75,1.0,0.7893393187581386,0.7583527516962512,0.7295678843122473,0.7163234185456788,0.7483958433280791
EOS-3-10599,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)c1F,BJJBUVLZESVXCC-UHFFFAOYSA-N,3,1,0.545,35,393,431.406,3.543,5,0.406,0.75,1.0,0.8089233088890412,0.7795730244671373,0.7683160852580357,0.7662257556027688,0.7807595435542457
EOS-3-10600,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnn5)cc4Cl)n23)cn1,OMLWRXYLGLCYLU-UHFFFAOYSA-N,3,1,0.447,7,85,460.845,1.765,5,0.395,0.73,1.0,0.5163199917757522,0.4094561716126379,0.1462374066205195,0.14454115550681929,0.3041386813789322
EOS-3-10601,Cn1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,FOTRBRMYHQCTER-UHFFFAOYSA-N,3,1,0.542,36,404,420.824,2.004,5,0.42,0.76,1.0,0.5632838736207251,0.726715098348297,0.05280652456994037,0.09983037488862997,0.36065896785689805
EOS-3-10602,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccc(C#N)n5)cc4)n23)cc1,MZGAIGTVQLCBAW-UHFFFAOYSA-N,3,1,0.31,25,508,457.461,2.977,6,0.391,0.72,1.0,0.18971455006510862,0.1515060653827702,0.2840192584469879,0.30171852511822356,0.23173959975327257
EOS-3-10603,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(C(F)F)c5)ns4)n23)cn1,UDWNKVYSSILBHZ-UHFFFAOYSA-N,3,1,0.348,82,204,464.461,3.669,5,0.422,0.75,1.0,0.18107908984990748,0.2214978411349462,0.36136145569186484,0.32042868891782605,0.2710917688986362
EOS-3-10604,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)no1,DAHMJNYOJZCICB-UHFFFAOYSA-N,3,1,0.311,38,787,433.435,3.669,6,0.41,0.75,1.0,0.1837862380919745,0.14380439997258584,0.23678123500788156,0.23920567473099857,0.2008943869508601
EOS-3-10605,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc(C)n2)cn1,AQMGDVQYLIDFNK-UHFFFAOYSA-N,3,1,0.426,46,500,444.886,3.888,5,0.376,0.79,1.0,0.5551024604208074,0.5306353231444041,0.4093019669659379,0.36554211500239875,0.465145466383387
EOS-3-10606,N#Cc1cncc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cn2)c1,PJCKPLJSHUVIFP-UHFFFAOYSA-N,3,1,0.241,86,953,443.434,2.763,6,0.403,0.67,1.0,0.00789870468096772,0.011042766088684805,0.3169419505174423,0.3553389075457474,0.17280558220821055
EOS-3-10607,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5cccc(F)c5F)nn4)n23)cc1,NFFFHZLRSKDTPX-UHFFFAOYSA-N,3,1,0.577,43,398,462.42,2.589,5,0.413,0.75,1.0,0.3237954903707765,0.30831505722705776,0.49461140429031597,0.4160612706462888,0.3856958056336097
EOS-3-10608,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)nc1,JOKXEGPGMASZPP-UHFFFAOYSA-N,3,1,0.258,70,887,432.451,3.106,6,0.418,0.69,0.999,0.03736035912548832,0.018992872318552532,0.24033650880679872,0.24210129531903227,0.13469775889246796
EOS-3-10609,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnn5)c4)n23)cc1,CQQANXBLJSVZDU-UHFFFAOYSA-N,3,1,0.319,9,642,432.451,3.106,6,0.418,0.69,1.0,0.1287780138441505,0.03686347748612158,0.32054005894044274,0.3364916729490782,0.20566830580494827
EOS-3-10610,Fc1cccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nn2)c1,OVZAELWZFTYGFZ-UHFFFAOYSA-N,3,1,0.39,70,596,448.425,3.301,6,0.4,0.69,1.0,0.1978959632650264,0.35228908231101363,0.34616373106709614,0.4160698375711055,0.32810465355356044
EOS-3-10611,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5noc(C)n5)ccc4F)n23)nc1,ZQBBUFSBOKVEAX-UHFFFAOYSA-N,3,1,0.414,33,53,474.456,3.013,5,0.378,0.82,1.0,0.5163285587005688,0.3764135425947502,0.20135700089096017,0.12229285175793297,0.304097988486053
EOS-3-10612,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)nc1)N1CCCC1,AJVFRYHIBLKYJB-UHFFFAOYSA-N,3,1,0.347,52,821,466.48,3.685,6,0.372,0.82,0.909,0.07854156671921048,0.1065297100952642,0.01836748680693578,0.09573538482626276,0.0747935371119183
EOS-3-10613,Fc1cc(-c2nnc3cncc(OCc4ncnnc4-c4cccnc4)n23)ccc1Cl,VHRSGXCWKRIABK-UHFFFAOYSA-N,3,1,0.517,4,391,434.822,3.41,5,0.414,0.72,1.0,0.8789579192653005,0.92510794325269,0.5662822973065589,0.6509063806456035,0.7553136351175381
EOS-3-10614,COCc1cc(-c2nnc3cncc(-c4cnn(C5CCOC5)c4)n23)ccc1C(=O)NC1CC1,GTCKWKXAJXZHTC-UHFFFAOYSA-N,3,1,0.28,63,792,459.51,2.655,6,0.453,0.67,0.998,0.044796449866355975,0.004960249468850661,0.03420773079295456,0.07160235761770954,0.038891696936467685
EOS-3-10615,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4cncnc4-c4cccnc4)n23)c1,FOGDCWXNNHIJMB-UHFFFAOYSA-N,3,1,0.302,94,219,467.884,3.154,6,0.384,0.79,0.99,0.20612021108902748,0.34752587211294633,0.22579843739291344,0.34592385717222945,0.28134209444177916
EOS-3-10617,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)n(C)n1,JRJBQDZTMUXOND-UHFFFAOYSA-N,3,1,0.353,3,39,433.479,3.748,6,0.421,0.76,1.0,0.011162703036118155,0.030712425467754094,0.29860016448495647,0.29549893770132274,0.15899355767253787
EOS-3-10618,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cnn2)nn1,WINIFVCKHJFXPY-UHFFFAOYSA-N,3,1,0.303,98,882,436.443,1.839,6,0.406,0.66,1.0,0.030815228565554107,0.01586594476046878,0.07926975532862723,0.07931258995271058,0.051315879651840174
EOS-3-10619,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1nccn1C,XWMZZBSATHJBIS-UHFFFAOYSA-N,3,1,0.484,4,248,445.458,3.622,5,0.394,0.78,1.0,0.5916917963127956,0.4849050784730313,0.4980895757658831,0.3204372558426427,0.47378092659858817
EOS-3-10620,c1ccc(-c2cnc(-c3nnc4cncc(-c5ncc(-c6ccnnc6)cn5)n34)cn2)nc1,GCWOSSRQNATAEV-UHFFFAOYSA-N,3,1,0.287,86,513,431.423,2.557,6,0.41,0.7,1.0,0.084975327256528,0.0510160372832568,0.1312024535672675,0.15465869371530394,0.10546312795558907
EOS-3-10621,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)o5)nc(C)n4)n23)cc1F,IUMVOJJJUWJGFU-UHFFFAOYSA-N,3,1,0.464,89,788,474.456,2.931,5,0.394,0.8,1.0,0.5215972174628195,0.3904033308203687,0.2258070043177301,0.1130748406551984,0.3127205983140292
EOS-3-10622,Cn1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)nc2)n1,BGLXXXDDNTXRHV-UHFFFAOYSA-N,3,1,0.351,42,635,450.441,3.245,6,0.402,0.68,1.0,0.14228805428003563,0.22688643684463025,0.3057192790076074,0.292474813241039,0.24184214584332808
EOS-3-10623,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnnc5)n4)n23)cc1,QWJLLBXERKPYLF-UHFFFAOYSA-N,3,1,0.427,89,408,465.477,2.51,6,0.385,0.74,1.0,0.30859776574600783,0.0967891165787129,0.10600712768144747,0.11053046398464807,0.15548111849770407
EOS-3-10624,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cccnc6)nn5C)n34)nc2)cc1,GRAWQAHSQXTYJE-UHFFFAOYSA-N,3,1,0.341,42,979,461.489,3.719,6,0.382,0.8,0.999,0.06641080117880885,0.07011171269960935,0.21206565691179494,0.20695976972106092,0.1388869851278185
EOS-3-10625,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)nc4)n23)cc1,GMVAWHGYDLJQEP-UHFFFAOYSA-N,3,1,0.338,38,725,437.492,3.772,6,0.414,0.72,1.0,0.05941162360359126,0.0904838599136454,0.2617623877732849,0.2568963744774176,0.1671385614419848
EOS-3-10626,O=c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)n[nH]1,FHSPJKFJDNFYQY-UHFFFAOYSA-N,3,1,0.297,9,894,434.419,3.259,6,0.448,0.68,1.0,0.32639983551504353,0.20652285655541086,0.47744328695771365,0.46669179631279556,0.36926444383524093
EOS-3-10627,N#Cc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cncc(F)c5)c4)n23)cc1,PMCXZTAKNKUFBH-UHFFFAOYSA-N,3,1,0.617,84,884,437.438,3.881,5,0.397,0.78,1.0,0.9427643752998424,0.8940100061681858,0.8587656774724145,0.8421287094784456,0.884417192104722
EOS-3-10628,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnn5)cn4)n23)cc1,KPTZPOXWMLQECU-UHFFFAOYSA-N,3,1,0.289,98,882,448.454,2.379,6,0.386,0.7,1.0,0.07637413474059351,0.04024741278870537,0.0510160372832568,0.057064286203824276,0.05617546775409499
EOS-3-10629,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)cn4)n23)nc1,PGCIAFWUQBFJJJ-UHFFFAOYSA-N,3,1,0.33,32,20,448.465,4.455,6,0.396,0.82,1.0,0.19503461037625933,0.2934857103694058,0.6048420259063807,0.6334812555685011,0.4317109005551367
EOS-3-10630,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)cc1,VRIGLGDVPIZURO-UHFFFAOYSA-N,3,1,0.368,93,228,448.465,4.455,6,0.396,0.82,1.0,0.2762404907134535,0.40027242820917003,0.6077462134192311,0.6998063874991433,0.4960163799602495
EOS-3-10631,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ncc(F)cn5)c4)n23)cn1,KCFGXKWEUNONDX-UHFFFAOYSA-N,3,1,0.524,73,82,431.406,3.809,5,0.418,0.74,1.0,0.8191436501953259,0.8005277225687067,0.7219433212254129,0.6681173326022891,0.7524330066479337
EOS-3-10632,Fc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)nc2)c1,ITIXWUALRQNUJT-UHFFFAOYSA-N,3,1,0.265,70,459,448.425,3.301,6,0.4,0.7,1.0,0.23926564320471524,0.282828455897471,0.38035432801041735,0.4255876910424234,0.3320090295387568
EOS-3-10633,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)nc1,WMFDGUIFQYCDQV-UHFFFAOYSA-N,3,1,0.321,42,608,450.441,3.245,6,0.402,0.69,1.0,0.19790453018984305,0.2984031252141731,0.31305256665067505,0.3267168117332602,0.28401925844698783
EOS-3-10634,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)cc2)n1,TZDGVUFHABEGOQ-UHFFFAOYSA-N,3,1,0.317,9,498,450.441,3.245,6,0.402,0.69,1.0,0.1644421218559386,0.2268950037694469,0.32774484271126036,0.41607840449592215,0.28379009320814197
EOS-3-10635,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)cn2)cn1,FRVPDBDCNUXNHW-UHFFFAOYSA-N,3,1,0.318,10,543,450.441,3.245,6,0.402,0.69,1.0,0.10464498663559729,0.1972277431293263,0.36873757795901585,0.42879172092385714,0.27485050716194914
EOS-3-10636,Fc1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)ccn1,VXMZCXJESIRLEZ-UHFFFAOYSA-N,3,1,0.333,42,106,448.425,3.301,6,0.374,0.74,1.0,0.3112535124391748,0.30338050853265713,0.4774518538825303,0.4939089164553492,0.39649869782742786
EOS-3-10637,Fc1c(OC2CC2)ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c1F,RUFVGLWIOUKCIS-UHFFFAOYSA-N,3,1,0.368,22,997,431.406,3.858,6,0.42,0.76,1.0,0.10217771228839696,0.36185833733123157,0.5595486944006579,0.6830751833321911,0.42666498183811935
EOS-3-10638,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccc(F)cc4)n23)cc1,BNUFMRCYWLRDPH-UHFFFAOYSA-N,3,1,0.397,9,625,451.469,3.793,6,0.405,0.74,1.0,0.1449009663491193,0.31348947981632513,0.4673428825988623,0.4908333904461654,0.35414167980261807
EOS-3-10639,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)c1,ZZVGWRVKLLBYLU-UHFFFAOYSA-N,3,1,0.295,98,727,434.467,3.049,6,0.42,0.69,1.0,0.06455177849359194,0.034002124597354536,0.2153296552669454,0.2069683366458776,0.13021297375094237
EOS-3-10640,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)c1F,QGLKODHGJCVNME-UHFFFAOYSA-N,3,1,0.271,10,37,453.416,3.774,6,0.401,0.75,0.976,0.013672812007401823,0.1327187992598177,0.6715783702282229,0.7324549379754643,0.3876062298677267
EOS-3-10641,Fc1cc(-c2cnncn2)ccc1-c1nnc2cncc(OCc3nccc(Cl)n3)n12,LUFQTSAMYDFPGH-UHFFFAOYSA-N,3,1,0.415,73,446,435.81,2.805,5,0.384,0.77,1.0,0.7461191830580495,0.8084863957233911,0.45671132890137756,0.5038551161675006,0.6287930059625797
EOS-3-10642,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(Cl)c4)n23)cc1,LWCICPCTFYAGBY-UHFFFAOYSA-N,3,1,0.361,25,791,466.896,3.759,6,0.386,0.79,1.0,0.20899869782742786,0.3083236241518744,0.31695051744225894,0.46347063258172844,0.3244358680008224
EOS-3-10643,Cn1c(-c2ccccn2)nnc1-c1cncc2nnc(-c3cc(-c4ncccn4)ccc3Cl)n12,HRDXYKPUUNXZTL-UHFFFAOYSA-N,3,1,0.333,8,474,466.896,3.759,6,0.386,0.79,1.0,0.1422966212048523,0.3134980467411418,0.137379206360085,0.25386368309231716,0.21175938934959904
EOS-3-10644,Cc1nc(-c2nnc3cncc(OCc4cccc(C#N)c4)n23)ccc1-c1ncc(F)cn1,VKZLXBIXVCVEBC-UHFFFAOYSA-N,3,1,0.424,46,348,438.426,3.542,5,0.409,0.72,1.0,0.8730724419162498,0.6986498526488931,0.5595572613254746,0.5269429785484202,0.6645556336097593
EOS-3-10645,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)n4)n23)nc1,DSEXXRZKDKEGCR-UHFFFAOYSA-N,3,1,0.349,33,647,467.468,2.66,6,0.404,0.7,0.991,0.11794085395106572,0.17110718936330616,0.10879994517168118,0.15751147967925433,0.13883986704132684
EOS-3-10646,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnnn6C)cc5)n34)cn2)cn1,WPFNCUOUEZWRFF-UHFFFAOYSA-N,3,1,0.279,98,450,423.444,2.173,6,0.427,0.72,1.0,0.0033496676033171135,0.013055993420601741,0.20503221163731067,0.1760931396066068,0.09938275306695908
EOS-3-10647,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)c1,AWQYKAZKOVJNQR-UHFFFAOYSA-N,3,1,0.282,76,750,432.451,3.404,6,0.449,0.67,0.774,0.06118497704064149,0.09980467411417997,0.1909224864642588,0.23619011719553148,0.14702556370365294
EOS-3-10648,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ncc4F)n23)cc1,JDTAZTYNOALUOT-UHFFFAOYSA-N,3,1,0.489,89,926,460.433,1.454,5,0.399,0.71,1.0,0.5395534918785553,0.332576588307861,0.1282725652799671,0.0756630799808101,0.2690164313617983
EOS-3-10649,OCc1ncnn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,UJYZEUIDWHSQLD-UHFFFAOYSA-N,3,1,0.576,16,32,434.847,2.492,5,0.433,0.75,1.0,0.6517459392776369,0.6164759098074155,0.28402782537180454,0.3459324240970461,0.47454552463847577
EOS-3-10651,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)n1,SFOKHRNHOMXQSM-UHFFFAOYSA-N,3,1,0.51,65,981,433.863,2.95,5,0.434,0.73,1.0,0.7034387636214104,0.7623877732849017,0.21533822219176205,0.24210986224384895,0.4808186553354808
EOS-3-10652,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)nn1,LKWSWFQHBHDXPQ-UHFFFAOYSA-N,3,1,0.303,98,882,436.443,1.839,6,0.406,0.68,1.0,0.027328490165170312,0.013064560345418409,0.0814885888561442,0.08096600644232746,0.0507119114522651
EOS-3-10653,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,FANIKAITLVZNEA-UHFFFAOYSA-N,3,1,0.636,36,32,418.848,3.214,5,0.432,0.78,1.0,0.8663559728599822,0.8383506956342951,0.37278116647248305,0.42880028784867386,0.6265720307038585
EOS-3-10654,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cn2)c1,WGZBXJOEDUPURE-UHFFFAOYSA-N,3,1,0.326,10,151,452.869,3.544,6,0.399,0.73,1.0,0.004137824686450552,0.1438129668974025,0.4532845589747104,0.5634209444177918,0.2911640737440888
EOS-3-10655,Cn1cc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)c2)cn1,BNHISBWDIOPDRK-UHFFFAOYSA-N,3,1,0.245,86,967,432.451,3.106,6,0.418,0.7,1.0,0.049259817695839904,0.010143238982934686,0.2581214447262011,0.27162291823726953,0.14728685491056132
EOS-3-10656,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)n1,ZSMLLZITIWBYHW-UHFFFAOYSA-N,3,1,0.311,76,342,432.451,3.106,6,0.418,0.7,0.333,0.09009834829689535,0.05102460420807347,0.14332465218285245,0.17610170653142349,0.11513732780481119
EOS-3-10657,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)n1,NGXFYWCLVJUUMQ-UHFFFAOYSA-N,3,1,0.301,38,608,432.451,3.106,6,0.418,0.7,1.0,0.10218627921321362,0.06657357275032555,0.24034507573161537,0.22154067575902953,0.15766140086354602
EOS-3-10658,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccn6)n[nH]5)n34)cn2)cc1,ATENAPZSDOUHGR-UHFFFAOYSA-N,3,1,0.345,32,945,442.446,3.572,6,0.438,0.74,0.917,0.18379480501679119,0.29349427729422245,0.4127116030429717,0.4667003632376122,0.3391752621478994
EOS-3-10659,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)cn5)n4)n23)cc1,PFOYHYZPEZLYON-UHFFFAOYSA-N,3,1,0.455,89,731,474.431,2.86,5,0.399,0.76,0.999,0.6283753683777671,0.39502947022136936,0.460155232677678,0.3426941265163457,0.45656354944829003
EOS-3-10660,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnn5)c4)n23)cc1,IVBAEJHKERMUTM-UHFFFAOYSA-N,3,1,0.642,27,996,448.393,3.219,5,0.37,0.74,1.0,0.8685576725378658,0.7175913234185457,0.7750582550887534,0.6943406894661093,0.7638869851278185
EOS-3-10661,Cc1ccc(COc2ncc(F)cc2-c2cncc3nnc(-c4ccc(C)nc4)n23)cn1,CVDMAUPZJBNHSY-UHFFFAOYSA-N,3,1,0.444,82,205,427.443,3.978,5,0.419,0.8,1.0,0.531903228017271,0.587965184017545,0.5855835789185114,0.44788739634020974,0.5383348468233843
EOS-3-10662,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)c(F)c4)n23)cn1,JPEPFZCZQSTZTC-UHFFFAOYSA-N,3,1,0.311,52,336,472.459,3.187,6,0.399,0.76,0.986,0.2737646494414365,0.272565279967103,0.2617709546981016,0.35880851209649783,0.29172734905078473
EOS-3-10663,Cc1nnc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(Cl)c4)n23)s1,BYHBVJYVBIPFFI-UHFFFAOYSA-N,3,1,0.506,36,677,438.904,3.584,5,0.413,0.74,1.0,0.39801076005756975,0.5080443424028511,0.18758138578575834,0.23329449660749776,0.3317327462134192
EOS-3-10664,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cc(C(F)F)ncn5)n34)cc2)nc1,IJQBSOUTKWVWCQ-UHFFFAOYSA-N,3,1,0.274,50,856,420.358,3.782,5,0.437,0.78,1.0,0.3060705229250908,0.4002809951339867,0.779890000685354,0.7482266465629498,0.5586170413268453
EOS-3-10665,N#Cc1ncc(-c2ccc(F)c(COc3cncc4nnc(-c5cccnc5)n34)c2)cn1,VPWKODPFQWDPRL-UHFFFAOYSA-N,3,1,0.471,2,969,424.399,3.233,5,0.422,0.76,1.0,0.7950191899115894,0.7962099924611061,0.7425125077102324,0.6914365019532589,0.7562945480090466
EOS-3-10666,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(C)n5)cc4F)n23)cn1,TZTAWPGTHKVXRB-UHFFFAOYSA-N,3,1,0.5,4,205,427.443,3.978,5,0.419,0.77,1.0,0.8244722774312933,0.7541806593105339,0.6607669111095881,0.5601483791378247,0.6998920567473099
EOS-3-10667,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5c(C)nn(C)c5C)cn4)n23)cn1,DRNVVZSIDNEMBE-UHFFFAOYSA-N,3,1,0.506,4,205,426.484,3.486,5,0.424,0.79,1.0,0.27921321362483725,0.20653142348022754,0.1810448221506408,0.09176889863614557,0.18963958947296278
EOS-3-10668,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnsc5)cn4)n23)cc1,CSXGKFZXRXCSDZ-UHFFFAOYSA-N,3,1,0.473,89,408,444.48,2.643,5,0.424,0.66,1.0,0.41543588513467206,0.23176101706531424,0.1979987663628264,0.10188643684463025,0.23677052635186074
EOS-3-10669,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cn5)n34)nc2)c[nH]1,GDRANRRMGIOCNB-UHFFFAOYSA-N,3,1,0.259,70,652,434.467,3.347,6,0.452,0.68,0.822,0.14230518812966897,0.05496538962374066,0.2084504146391611,0.16531594818723871,0.14275923514495237
EOS-3-10671,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)c1F,YQQMWMPEQGECCU-UHFFFAOYSA-N,3,1,0.267,39,176,455.392,2.769,6,0.425,0.64,0.488,0.21718011102734563,0.2420156260708656,0.2803183469261874,0.3939757384689192,0.28337245562332947
EOS-3-10672,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(Cl)c5)cc4F)n23)cn1,IPXDMKVJTUFECU-UHFFFAOYSA-N,3,1,0.348,82,204,460.86,3.462,5,0.409,0.72,0.997,0.2847560139812213,0.3522976492358303,0.5361609896511548,0.5306781577684874,0.42597320265917343
EOS-3-10673,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cn2)c1,YBYFTTASDKGKNA-UHFFFAOYSA-N,3,1,0.274,94,165,430.435,3.162,6,0.415,0.71,0.812,0.14231375505448565,0.12942910013021725,0.35021588650538005,0.34594099102186276,0.2419749331779864
EOS-3-10674,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cc1,YLYQMVWBLJXIDP-UHFFFAOYSA-N,3,1,0.315,25,213,450.441,3.245,6,0.376,0.74,1.0,0.20335309437324378,0.27761976560893703,0.37669625111370025,0.422477897333973,0.3200367521074635
EOS-3-10675,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)nc1,NCWKEPYCGPDEKI-UHFFFAOYSA-N,3,1,0.301,30,195,434.438,4.24,6,0.413,0.77,0.973,0.027337057089986978,0.17987115345075733,0.6226612295250497,0.6564577479268042,0.3715817969981495
EOS-3-10676,Cn1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)n2)n1,ANEKMHVQXNFOKM-UHFFFAOYSA-N,3,1,0.314,98,635,438.43,2.974,6,0.417,0.67,1.0,0.02493831814131999,0.13272736618463438,0.26528339387293537,0.3051452950448907,0.1820235933109451
EOS-3-10677,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccn5)n4)n23)cn1,KBAASBSKZLGAKW-UHFFFAOYSA-N,3,1,0.424,7,535,440.427,1.372,5,0.411,0.67,1.0,0.45718250976629426,0.22150640805976288,0.03546706874100473,0.013852717428551847,0.18200217599890342
EOS-3-10678,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)n1,WSKHJJNCTTYXHB-UHFFFAOYSA-N,3,1,0.28,70,957,431.463,3.711,6,0.419,0.74,1.0,0.041866561579055585,0.0190014392433692,0.4127201699677884,0.38785895414981836,0.21536178123500788
EOS-3-10679,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)n1,KPHLFVROXBYIOV-UHFFFAOYSA-N,3,1,0.296,94,165,434.423,3.064,6,0.407,0.72,1.0,0.19245596600644232,0.14382153382221918,0.16821156877527244,0.16019292714687136,0.16617049893770133
EOS-3-10680,Cc1ccnc(COc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)c5C)c4)n23)n1,DSFPSXCABAADDN-UHFFFAOYSA-N,3,1,0.461,36,253,430.447,3.317,5,0.422,0.77,1.0,0.4889229662120485,0.5035638407237338,0.33879617572476184,0.2508138578575834,0.39552421012953193
EOS-3-10681,Fc1cncc(Oc2cncc3nnc(-c4cc(F)cc(-c5cnc(F)cn5)c4)n23)c1,DWKBKHFHOBYJAU-UHFFFAOYSA-N,3,1,0.433,13,110,421.342,3.853,5,0.435,0.76,1.0,0.7837793845521211,0.8005362894935234,0.8731409773147831,0.872549859502433,0.8325016277157151
EOS-3-10682,Fc1ccnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,MDQZLXPZVHFCGC-UHFFFAOYSA-N,3,1,0.549,34,534,433.834,4.015,5,0.413,0.73,1.0,0.7837879514769378,0.9317130422863409,0.7449112466588993,0.8054023027893907,0.8164536358028922
EOS-3-10683,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(C)nn5)c4)n23)cc1,FCIYFBUYBPNYKP-UHFFFAOYSA-N,3,1,0.505,89,398,466.505,3.28,5,0.388,0.75,1.0,0.3732951819614831,0.14750531149338633,0.23332876430676444,0.11308340758001507,0.21680316633541225
EOS-3-10684,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)c(F)c5)n34)cn2)n1,USAOHSMMWBBUNI-UHFFFAOYSA-N,3,1,0.325,42,219,450.441,3.245,6,0.402,0.7,1.0,0.1979130971146597,0.24716434788568295,0.3767048180385169,0.43198718388047425,0.3134423617298335
EOS-3-10685,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccnnc4-c4cccc(F)c4)n23)c1,XZVXJKFZBWGXBU-UHFFFAOYSA-N,3,1,0.365,25,791,450.441,3.245,6,0.402,0.7,1.0,0.1670207662257556,0.2674422589267357,0.2986087314097731,0.4160869714207388,0.2872896819957508
EOS-3-10686,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(CO)nc5)n34)ccc2F)cn1,RMAWYMAWTKRVKU-UHFFFAOYSA-N,3,1,0.558,16,394,431.431,2.797,5,0.441,0.73,1.0,0.5395620588033719,0.5123620725104516,0.7113888698512781,0.6036169556575971,0.5917324892056747
EOS-3-10687,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c(F)c1,BNWDAVZEFMKECZ-UHFFFAOYSA-N,3,1,0.646,91,70,432.434,4.092,5,0.404,0.77,1.0,0.8937529984236858,0.804854019601124,0.8528887670481804,0.8321482420670276,0.8459110067850044
EOS-3-10688,CCc1nccc(-c2ccc(-c3nnc4cncc(Cc5cnc(C#N)nc5)n34)cc2)n1,CDKXCHMIRNULIU-UHFFFAOYSA-N,3,1,0.371,85,357,419.452,3.063,5,0.426,0.78,1.0,0.2551401548900007,0.23665273113563157,0.21207422383661162,0.17904016174354054,0.2207268179014461
EOS-3-10689,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)nc2)n[nH]1,NFSYWROOJKEWBE-UHFFFAOYSA-N,3,1,0.252,98,866,436.443,2.137,6,0.44,0.68,1.0,0.038953807141388526,0.0842557055719279,0.04109553834555548,0.04620999246110616,0.05262876087999452
EOS-3-10690,Cc1cc(-c2nncnc2-c2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)ccc1F,DECOLIJBIUGJSR-UHFFFAOYSA-N,3,1,0.333,62,124,465.452,3.011,5,0.392,0.77,1.0,0.22839421561236378,0.23666129806044822,0.49809814269069974,0.4478959632650264,0.3527624049071345
EOS-3-10691,Cn1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)n1,STEBPMXKOVSLEY-UHFFFAOYSA-N,3,1,0.404,61,784,420.839,3.365,5,0.443,0.76,1.0,0.4022513878418203,0.5723305462271263,0.5327427866493044,0.6452436433417861,0.5381420910150092
EOS-3-10692,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccc(O)cc4)n23)c1,KEJGVCJXWHIGIO-UHFFFAOYSA-N,3,1,0.272,64,27,448.45,2.811,6,0.432,0.67,1.0,0.08730553080666165,0.025597971352203413,0.12557398396271674,0.17611027345624014,0.10364693989445549
EOS-3-10693,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)nc1,GQGXSWNLXBDHOC-UHFFFAOYSA-N,3,1,0.47,51,199,434.822,3.41,5,0.414,0.69,1.0,0.7339884175176479,0.7129994517168118,0.46735144952367896,0.5172452196559523,0.6078961346035228
EOS-3-10694,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1-c1cncnn1,XHKYUKHNXOYQRY-UHFFFAOYSA-N,3,1,0.449,46,915,434.822,3.41,5,0.414,0.69,1.0,0.8368771845658283,0.8005448564183401,0.6932869577136591,0.7378178329106984,0.7671317079021315
EOS-3-10695,COc1ccc(F)cc1-c1ncnnc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3C)n12,DIRRPGVRPWABDY-UHFFFAOYSA-N,3,1,0.355,74,768,456.441,2.865,5,0.427,0.68,0.122,0.37330374888629975,0.4094647385374546,0.37671338496333356,0.2955075046261394,0.3637473442533068
EOS-3-10696,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nn2)n1,LJCKTIGLBFEFGP-UHFFFAOYSA-N,3,1,0.333,76,37,432.451,3.199,6,0.417,0.71,0.994,0.008429854019601123,0.019010006168185867,0.15546398464807074,0.16796312795558907,0.0877167431978617
EOS-3-10697,Cc1c(-c2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)nnn1-c1ccccc1,RACIZBNUYPESRH-UHFFFAOYSA-N,3,1,0.337,3,39,432.451,3.199,6,0.417,0.71,1.0,0.006279555890617504,0.009243711877184566,0.1526026317593037,0.20415838530601055,0.09307107120827908
EOS-3-10698,Cc1cccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)cn2)n1,HHQYLHYSHMBGDE-UHFFFAOYSA-N,3,1,0.275,94,892,432.451,3.199,6,0.417,0.71,0.534,0.0016448495648002193,0.010151805907751353,0.1682201357000891,0.17611884038105682,0.08903390788842437
EOS-3-10699,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)nn1,OIIDUHREDLVWDP-UHFFFAOYSA-N,3,1,0.304,39,37,436.414,3.03,6,0.414,0.69,0.752,0.002518675896100336,0.08081180179562744,0.18105338907545748,0.2895791926530053,0.13849076485504763
EOS-3-10700,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nn5)c4)n23)nn1,XPZIPIWTSVNFNT-UHFFFAOYSA-N,3,1,0.383,53,226,431.847,2.974,5,0.413,0.67,0.898,0.5689551778493592,0.5879737509423617,0.21877355904324583,0.23921424165581523,0.4037291823726955
EOS-3-10701,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1,GCLYSHRFBPXYSM-UHFFFAOYSA-N,3,1,0.31,64,885,428.459,4.372,6,0.411,0.83,1.0,0.09714036049619629,0.07381262422040984,0.47073538482626276,0.5471780549653896,0.29721660612706463
EOS-3-10702,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)cc4F)n23)c(OC)n1,WOCCAKVBHSQIKT-UHFFFAOYSA-N,3,1,0.292,61,336,459.445,2.156,5,0.424,0.71,1.0,0.34579535329997946,0.31350661366595844,0.164998971969022,0.09983894181344664,0.23103497018710165
EOS-3-10703,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnc(C)nn5)c4)n23)cc1,WJXDHIGPNSUKNY-UHFFFAOYSA-N,3,1,0.474,89,707,467.493,2.675,5,0.383,0.73,1.0,0.3959461311767528,0.13634260845726817,0.13738777328490165,0.061484819409224865,0.18279033308203688
EOS-3-10705,Cc1ncc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)c(-c2ccc(F)cc2)n1,ICFYOPCYUOARMS-UHFFFAOYSA-N,3,1,0.308,94,151,451.429,2.734,6,0.398,0.7,0.992,0.009158042629017888,0.13635117538208485,0.24741278870536632,0.2986686998834898,0.17289767664998973
EOS-3-10706,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5nncn5C)ncn4)n23)cc1F,GCDDFEAUMZNMLS-UHFFFAOYSA-N,3,1,0.371,85,784,444.434,1.466,5,0.431,0.62,1.0,0.219904393119046,0.2163576862449455,0.10347131793571379,0.07932115687752725,0.15476363854430816
EOS-3-10707,CNC(=O)c1ccc(-c2nnc3cncc(-c4csnc4-c4cccc(C)n4)n23)cc1,QNPIDYFMUQDHRU-UHFFFAOYSA-N,3,1,0.35,62,139,427.493,3.645,5,0.47,0.67,1.0,0.12580529093276677,0.07729079569597697,0.22234596669179632,0.14705983140291962,0.14312547118086494
EOS-3-10708,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)nn1C,UERMCTNJCIUJRP-UHFFFAOYSA-N,3,1,0.557,15,628,429.459,3.656,5,0.41,0.79,1.0,0.555111027345624,0.5169625111370023,0.49133883901034886,0.42248646425878966,0.4964747104379412
EOS-3-10709,Cn1nnnc1-c1ccc(F)c(Oc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)n1,SREQOJRLOMHWQI-UHFFFAOYSA-N,3,1,0.46,22,706,458.244,3.615,5,0.402,0.78,1.0,0.637019395517785,0.854807758207114,0.43119902679734085,0.5886676718525118,0.6279234630936879
EOS-3-10710,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5F)c4)n23)cn1,UXBQZDAYQBPRGG-UHFFFAOYSA-N,3,1,0.344,82,204,414.404,2.538,5,0.485,0.79,1.0,0.02494688506613666,0.16311424850935508,0.3315314234802275,0.30515386196970734,0.20618660475635664
EOS-3-10711,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)n5)n34)cc2)cc1,HPUKDPQWIXIJQB-UHFFFAOYSA-N,3,1,0.333,93,74,445.49,4.019,6,0.404,0.76,1.0,0.06849256390925913,0.11566205194983209,0.2766688369542869,0.33956719895826193,0.20009766294291
EOS-3-10712,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)c1,WWVWMABENHSFIG-UHFFFAOYSA-N,3,1,0.326,70,392,431.463,3.711,6,0.419,0.76,0.998,0.16171783976423823,0.12943766705503393,0.4165067507367555,0.38786752107463507,0.27388244465766565
EOS-3-10713,CCOc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3cnc(Cl)c(C)c3)n12,KRKGJLMPBQWOAU-UHFFFAOYSA-N,3,1,0.375,63,334,462.941,4.03,5,0.417,0.76,0.954,0.3086063326708245,0.27257384689191966,0.25461757247618394,0.26603728325680215,0.27545875882393256
EOS-3-10714,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5nncnn5)c4)n23)cc1,KHJSOLARKBMQRH-UHFFFAOYSA-N,3,1,0.685,43,258,416.832,3.271,5,0.43,0.8,1.0,0.9551521485847441,0.9600352957302447,0.5395192241792885,0.6159618943184154,0.7676671407031732
EOS-3-10715,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cncnn1,BSGFEHYAIMOOEU-UHFFFAOYSA-N,3,1,0.536,34,32,434.822,3.41,5,0.414,0.7,1.0,0.8663645397847989,0.9362877801384415,0.5696747995339593,0.6452522102666027,0.7543948324309506
EOS-3-10716,Fc1ccc(-c2nccnc2-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cc1,IEORBBDLIJQSPH-UHFFFAOYSA-N,3,1,0.346,64,449,447.437,3.906,6,0.4,0.73,1.0,0.31396066068124184,0.37151326159961623,0.357617709546981,0.4414108011788089,0.371125608251662
EOS-3-10717,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)cc1F,YYNGJACAKFTDIW-UHFFFAOYSA-N,3,1,0.473,7,212,461.392,1.994,5,0.401,0.72,1.0,0.6226954972243164,0.352306216160647,0.3767219518881502,0.31133918168734154,0.4157657117401138
EOS-3-10718,Cn1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2)cc1=O,OWCVHFKEXXHLKS-UHFFFAOYSA-N,3,1,0.398,13,251,449.833,3.532,5,0.413,0.73,1.0,0.45500651086286065,0.5035724076485505,0.6744311561921733,0.7026077719141937,0.5839044616544444
EOS-3-10719,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)nc5)ns4)n23)cc1,RYUKTZOQPOAXAT-UHFFFAOYSA-N,3,1,0.341,74,582,458.482,3.403,6,0.402,0.73,1.0,0.16445068878075525,0.192593036803509,0.08895894729627853,0.16020149407168802,0.1515510417380577
EOS-3-10720,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)cc(Cl)c5)no4)n23)cc1,WPRAHZRWNWWXMS-UHFFFAOYSA-N,3,1,0.356,62,837,475.871,4.193,6,0.405,0.87,1.0,0.2659687478582688,0.27258241381673637,0.3169590843670756,0.48182955246384757,0.3343349496264821
EOS-3-10721,OCc1cc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)ccc1Cl,YHVRPHSSQVUBPJ-UHFFFAOYSA-N,3,1,0.512,68,127,418.791,3.244,4,0.513,0.75,1.0,0.7837965184017545,0.9119148790350216,0.8952350764169693,0.8561784661777808,0.8617812350078815
EOS-3-10722,Cc1cnc(-c2cccnc2COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cn1,TXWZFDRFTUSLRZ-UHFFFAOYSA-N,3,1,0.467,7,205,439.439,2.025,5,0.419,0.69,1.0,0.36185833733123157,0.1839747104379412,0.0889675142210952,0.044856418340072646,0.16991424508258512
EOS-3-10723,COc1cc(-c2nnc3cncc(OCCc4cncc(F)n4)n23)ccc1-c1cncn1C,OONXCTRVBLHJJM-UHFFFAOYSA-N,3,1,0.454,20,279,446.446,2.751,5,0.376,0.73,1.0,0.6456462888081694,0.46748852032074567,0.3613700226166815,0.24788396957028305,0.43059720032896986
EOS-3-10724,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)[nH]1,AHODDPFHTAYYNG-UHFFFAOYSA-N,3,1,0.252,98,301,421.428,2.434,6,0.46,0.74,0.975,0.03736892605030498,0.04025597971352204,0.06639366732917552,0.12011685285449934,0.06603385648687547
EOS-3-10725,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)n1C,WXOWSSAQQVXZKC-UHFFFAOYSA-N,3,1,0.33,38,193,445.49,4.019,6,0.404,0.74,1.0,0.09010691522171202,0.0738211911452265,0.2084589815639778,0.23330306353231445,0.1514225378658077
EOS-3-10726,Fc1cc(-c2ncc[nH]2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nn3)n12,OFMOHRZJBLDQSJ-UHFFFAOYSA-N,3,1,0.267,70,596,436.414,3.235,6,0.447,0.72,0.124,0.1979216640394764,0.2569563429511343,0.40231992324035365,0.4508686861764101,0.3270166541018436
EOS-3-10727,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)O)cc5F)n34)cc2)n1,IWKUCVPETGTHQS-UHFFFAOYSA-N,3,1,0.385,61,558,415.388,3.091,5,0.48,0.79,1.0,0.25514872181481735,0.10971660612706463,0.54967103008704,0.4508772531012268,0.3413534027825372
EOS-3-10728,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(O)cc5F)n34)c2)nn1,XOHLNRQLXKHPHD-UHFFFAOYSA-N,3,1,0.467,43,521,429.415,3.375,5,0.453,0.7,1.0,0.7838050853265712,0.6445839901309026,0.6077547803440477,0.5536375162771572,0.6474453430196696
EOS-3-10729,c1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)c1,IACZNYKDFATHPN-UHFFFAOYSA-N,3,1,0.409,56,197,449.438,2.402,6,0.402,0.69,1.0,0.5216057843876362,0.4094733054622713,0.1618806113357549,0.13755054485641835,0.3076275615105202
EOS-3-10730,NC(=O)c1ccc(-c2nnc3cncc(NCc4ccc(Cl)c(F)c4)n23)c(F)c1,VRTCUXPRTYKFNS-UHFFFAOYSA-N,3,1,0.506,23,646,414.803,3.434,4,0.521,0.86,1.0,0.10957096840518128,0.18835240901925845,0.8690031526283325,0.8475944075114796,0.503630234391063
EOS-3-10731,c1cc(-c2cncnc2)nc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c1,HQCDOSHZBIWDKJ-UHFFFAOYSA-N,3,1,0.271,94,957,429.447,3.767,6,0.417,0.75,0.982,0.07055719279007608,0.07729936262079364,0.43898636145569186,0.44790453018984305,0.25868686176410116
EOS-3-10732,c1ccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)nc1,IYJLMNZVHULPIO-UHFFFAOYSA-N,3,1,0.326,32,957,429.447,3.767,6,0.417,0.75,0.996,0.0873140977314783,0.09049242683846206,0.30214687135905693,0.3267253786580769,0.20166969364676857
EOS-3-10733,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ncc(F)cn5)cn4)n23)cn1,JOOYSGFLKMDAQY-UHFFFAOYSA-N,3,1,0.512,73,82,432.394,3.204,5,0.417,0.73,1.0,0.7399766979644986,0.74966588993215,0.512430607908985,0.4603437050236447,0.6156042252073196
EOS-3-10734,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)n5)ccn4)n23)cn1,SZHOQWTVLPFQNH-UHFFFAOYSA-N,3,1,0.517,4,205,429.871,4.184,5,0.387,0.85,1.0,0.5828507299019944,0.7034730313206772,0.5792097868549105,0.5536460832019738,0.604794907819889
EOS-3-10735,O=C(O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)ns4)n23)cc1,GXHJBVORKIPKHT-UHFFFAOYSA-N,3,1,0.424,96,837,434.868,4.328,5,0.448,0.79,1.0,0.1423223219793023,0.25216743197861696,0.39508087177026935,0.44141936810362553,0.30774749845795357
EOS-3-10736,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)cn5)nn4)n23)cn1,GLVMQUKJJCVHFW-UHFFFAOYSA-N,3,1,0.461,7,617,431.847,2.974,5,0.413,0.7,1.0,0.5449163868137893,0.6887807552600919,0.23678980193269825,0.23922280858063188,0.4274274381468028
EOS-3-10737,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)nc1,FRUWPNFEHMKNKT-UHFFFAOYSA-N,3,1,0.29,94,615,450.441,3.245,6,0.402,0.71,0.98,0.1509492152696868,0.25696490987595094,0.44247309985607564,0.4696902199986293,0.3300193612500857
EOS-3-10738,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)c(F)c1,USGUHPFIHWEHKD-UHFFFAOYSA-N,3,1,0.317,94,615,450.441,3.245,6,0.402,0.71,1.0,0.2309471592077308,0.3325851552326777,0.4601637996024947,0.46670893016242887,0.37260126105133307
EOS-3-10739,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cccc(-c4ccnc(F)c4)c3)n12,NWGDAVRHEDRLNL-UHFFFAOYSA-N,3,1,0.356,62,3,424.439,4.067,5,0.439,0.78,1.0,0.20900726475224454,0.2317695839901309,0.7564851620862175,0.7051692824343774,0.4756078233157426
EOS-3-10740,COc1cc(-c2cnccn2)ncc1COc1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,KHVBMCFSBISOAL-UHFFFAOYSA-N,3,1,0.489,89,731,454.45,2.33,5,0.392,0.71,1.0,0.5163371256253855,0.12944623397985058,0.3093259543554246,0.14207388115961894,0.2742957987800699
EOS-3-10741,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnnn6C)cn5)n34)cc2)n(C)n1,DDSUYVQWKHDZAC-UHFFFAOYSA-N,3,1,0.316,98,866,451.458,1.543,6,0.387,0.69,1.0,0.0995562332944966,0.05888904118977452,0.00965492426838462,0.007059146048934275,0.0437898362003975
EOS-3-10742,Fc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)nc1-c1ccncc1,IXEFHXBLDKEAIO-UHFFFAOYSA-N,3,1,0.427,46,62,433.834,4.015,5,0.413,0.74,1.0,0.7549345486944007,0.722071825097663,0.7062315811116442,0.7506853539853334,0.7334808272222604
EOS-3-10743,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cn1,FLZCAYZNYXHKCQ-UHFFFAOYSA-N,3,1,0.299,70,687,449.453,3.85,6,0.403,0.75,1.0,0.1395038037146186,0.24202419299568226,0.505080186416284,0.49084195737098213,0.34436253512439174
EOS-3-10744,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ncc(-c6cccnc6)cc5F)n34)nc2)n1,VFPXVJPXZQRSEK-UHFFFAOYSA-N,3,1,0.283,70,392,449.453,3.85,6,0.403,0.75,1.0,0.09956480021931327,0.21636625316976218,0.4811184977040642,0.48774073058734835,0.321197570420122
EOS-3-10745,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nc(C)nn5C)n4)n23)cn1,BKHWUAZIGQOPKQ-UHFFFAOYSA-N,3,1,0.33,50,974,426.444,1.712,5,0.46,0.67,0.999,0.07855013364402715,0.05103317113289014,0.015300527722568708,0.0051487218148173535,0.037508138578575836
EOS-3-10747,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nc2)cn1,UMJVBXLJVLIQOH-UHFFFAOYSA-N,3,1,0.342,42,723,447.437,3.906,6,0.375,0.78,1.0,0.2737732163662532,0.35231478308546366,0.5564903022411075,0.5699489411280927,0.4381318107052293
EOS-3-10748,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n(C)n2)n(C)n1,BKKWGZDAKNZYFD-UHFFFAOYSA-N,3,1,0.278,98,301,448.494,3.358,6,0.407,0.73,0.995,0.032014598039887605,0.019018573093002537,0.06044822150640806,0.08267939140566102,0.04854019601123981
EOS-3-10749,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(F)cn5)ccn4)n23)cc1Cl,GIOVKAYOXHTGQA-UHFFFAOYSA-N,3,1,0.337,96,802,459.872,4.067,5,0.435,0.71,1.0,0.33392159550407785,0.33259372215749433,0.7062401480364608,0.705177849359194,0.5194833287643068
EOS-3-10751,Cn1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,LBPAQSYTSFUSNV-UHFFFAOYSA-N,3,1,0.64,43,258,436.838,3.353,5,0.417,0.72,1.0,0.8809197450483175,0.907777054348571,0.5919059694332123,0.665127475841272,0.7614325611678432
EOS-3-10752,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)nn1,NPIYSUANVPODPQ-UHFFFAOYSA-N,3,1,0.553,4,391,436.838,3.353,5,0.417,0.72,1.0,0.5295730244671373,0.7407734219724488,0.637327804811185,0.6509149475704201,0.6396472997052978
EOS-3-10753,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)cn1,VEVQCICQOCQMHZ-UHFFFAOYSA-N,3,1,0.533,35,426,427.443,3.712,5,0.408,0.76,1.0,0.8342128709478446,0.7583613186210678,0.5564988691659242,0.49701014323898296,0.6615208004934549
EOS-3-10754,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,ZGZPCKHBTPHLBC-UHFFFAOYSA-N,3,1,0.617,35,4,427.443,3.712,5,0.408,0.76,1.0,0.7782879857446371,0.7795815913919539,0.6405832362415187,0.5699575080529093,0.6921025803577547
EOS-3-10755,Cc1nnc(-c2cnn(C)c2-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)o1,WCSHFRIZJNEFRU-UHFFFAOYSA-N,3,1,0.278,99,286,440.431,1.741,6,0.397,0.68,0.999,0.04759783428140635,0.04744362963470632,0.01286752107463505,0.009132341854567884,0.029260331711328906
EOS-3-10756,Cc1ncc(-c2cccc(-c3nnc4cncc(-c5cc(-c6nn[nH]n6)nn5C)n34)c2)cn1,XVZDFOVULDAWEE-UHFFFAOYSA-N,3,1,0.305,98,882,436.443,2.137,6,0.44,0.66,1.0,0.0645603454184086,0.05497395654855733,0.08149715578096087,0.08097457336714413,0.07050150777876774
EOS-3-10757,Clc1cc(-c2ccncn2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,YBDVDZAQNMMBKX-UHFFFAOYSA-N,3,1,0.583,35,234,429.871,3.918,5,0.404,0.73,1.0,0.7638955520526352,0.8202059488725927,0.6283496676033171,0.6452607771914194,0.7144279864299912
EOS-3-10758,Cn1nc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,WCYDZISWSRSSQR-UHFFFAOYSA-N,3,1,0.295,98,746,435.455,2.444,6,0.414,0.71,1.0,0.050810431087656774,0.04745219655952299,0.05654170379000754,0.08450414639161127,0.059827119457199644
EOS-3-10759,COCc1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4OC)n23)cn1,LLSHOEBKSDJXHY-UHFFFAOYSA-N,3,1,0.345,61,917,429.444,2.199,5,0.4,0.75,1.0,0.2117829483928449,0.10653827702008087,0.15261119868412035,0.09766294291001303,0.14214884175176476
EOS-3-10760,c1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)c1,CCAFOKQUNUJYKB-UHFFFAOYSA-N,3,1,0.316,8,927,418.424,2.891,6,0.429,0.79,1.0,0.016919676512918924,0.07012027962442602,0.18443732437804125,0.2628503872250017,0.13358191693509697
EOS-3-10761,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cnn(C)c6)n5)n34)cc2)nc1,WKLCLMASLNYVSW-UHFFFAOYSA-N,3,1,0.309,42,608,446.478,3.414,6,0.405,0.71,1.0,0.049268384620656566,0.06273559043245837,0.20136556781577686,0.16532451511205537,0.11967351449523679
EOS-3-10762,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-n6ccnc6)nc5)n34)cn2)cn1,YQFBVOOEFWUKIE-UHFFFAOYSA-N,3,1,0.329,86,443,437.402,2.425,6,0.409,0.64,1.0,0.011171269960934822,0.10324001096566376,0.265291960797752,0.27163148516208624,0.16283368172160922
EOS-3-10763,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccncn6)cc5)n34)n2)cc1,MZTIKKNGUJFAQO-UHFFFAOYSA-N,3,1,0.341,3,783,435.426,3.635,6,0.417,0.7,1.0,0.0685011308340758,0.21637482009457884,0.5294702213693373,0.5762113631690768,0.3476393838667672
EOS-3-10764,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cn1,XKKQPBTYGUWUMU-UHFFFAOYSA-N,3,1,0.413,7,160,430.859,3.579,5,0.416,0.71,1.0,0.42949420875882394,0.4990576382701665,0.42760091837434033,0.40313378109793707,0.4398216366253169
EOS-3-10765,Cc1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cc1Br,MYWWMDHLIGDAIM-UHFFFAOYSA-N,3,1,0.4,66,225,449.234,4.262,4,0.468,0.71,1.0,0.44321842231512576,0.5631725035981084,0.9491467342882599,0.8962631073949695,0.7129501918991159
EOS-3-10766,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cn1,YDKFEVKMZAJCJU-UHFFFAOYSA-N,3,1,0.511,4,205,444.48,2.643,5,0.424,0.68,1.0,0.45028613528887673,0.2776283325337537,0.13739634020971833,0.06976903570694264,0.23376996093482283
EOS-3-10767,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(-c6cncnc6)cn5)n34)cc2)CC1,TZDJXFFQSPFQOR-UHFFFAOYSA-N,3,1,0.359,52,357,462.517,3.516,6,0.411,0.74,1.0,0.17509937632787334,0.0665821396751422,0.1433332191076691,0.1845058597765746,0.14238014872181481
EOS-3-10768,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccnn6)c5)n34)nc2)c1F,ZNDDFNSLYDWRES-UHFFFAOYSA-N,3,1,0.28,10,664,453.416,3.774,6,0.401,0.74,0.869,0.005345761085600712,0.1402491261736687,0.6987269549722431,0.7403879103556987,0.39617743814680284
EOS-3-10769,Cc1cnc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)nc1,UJZUGQVQBSTQEO-UHFFFAOYSA-N,3,1,0.272,86,812,447.466,2.809,6,0.401,0.71,1.0,0.09957336714412994,0.054982523473374,0.062478582687958334,0.060028442190391336,0.0692657288739634
EOS-3-10770,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)cc1,QUUWNXVENXALKT-UHFFFAOYSA-N,3,1,0.337,3,289,454.885,3.488,6,0.401,0.73,1.0,0.03202316496470427,0.1926016037283257,0.26177952162291823,0.36229525049688166,0.21217488520320746
EOS-3-10771,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cn1,TUCGYTZVUZPIPJ-UHFFFAOYSA-N,3,1,0.301,10,871,435.426,3.635,6,0.39,0.74,0.281,0.023944554862586526,0.16711500239873894,0.38036289493523406,0.43797546432732504,0.25234947913097117
EOS-3-10772,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nncn5C)c4)n23)cc1F,XZXPHORKSCYZSK-UHFFFAOYSA-N,3,1,0.463,36,788,459.445,2.06,5,0.409,0.7,1.0,0.5216143513124529,0.30833219107669113,0.28032691385100406,0.18711020492084163,0.3243459152902475
EOS-3-10773,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)cc1,PPXIDHATAYXAGB-UHFFFAOYSA-N,3,1,0.346,9,642,449.453,3.85,6,0.403,0.73,1.0,0.22840278253718047,0.32807038585429377,0.6311167843191008,0.6394352683160852,0.456756305256665
EOS-3-10774,NC(=O)c1ccc(-c2nnc3cncc(C(F)(F)c4cc(F)ccn4)n23)c(Cl)n1,OMEDNBSLCZKSLL-UHFFFAOYSA-N,3,1,0.376,68,861,419.754,2.613,4,0.509,0.65,1.0,0.27133164279350286,0.42329175519155643,0.8619954081282982,0.8032434377355905,0.5899655609622371
EOS-3-10775,Fc1cccc(CCn2cnc(-c3ccc(-c4nnc5cncc(Cl)n45)nc3)n2)c1F,MVYLYFQNVCKFFH-UHFFFAOYSA-N,3,1,0.402,22,844,438.829,3.619,5,0.416,0.76,0.963,0.24445719964361592,0.3376139401000617,0.5464155986567062,0.6592934000411212,0.44694503461037627
EOS-3-10776,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)n4C)n23)cc1,FMLSQYQDJTVZKL-UHFFFAOYSA-N,3,1,0.427,8,474,468.912,3.703,6,0.388,0.77,1.0,0.06456891234322527,0.26229353711191833,0.1714070317318895,0.2864179973956549,0.196171869645672
EOS-3-10777,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5cc(C)cs5)n4)n23)cc1F,LUGXTUDZBLNEPY-UHFFFAOYSA-N,3,1,0.33,74,413,446.471,3.179,5,0.451,0.64,1.0,0.16702933315057228,0.2269035706942636,0.22955075046261395,0.2009286546501268,0.20610307723939414
EOS-3-10778,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nn1,ZMFCARKCARFDOH-UHFFFAOYSA-N,3,1,0.388,53,785,446.862,2.412,5,0.383,0.69,0.967,0.4790795695976972,0.5352957302446714,0.08643170447536153,0.11545644575423206,0.3040658625179905
EOS-3-10779,Cc1cnc(-c2cc(F)cc(COc3cncc4nnc(-c5cnc(C)cn5)n34)c2)cn1,NQZRRXCUUPMYQW-UHFFFAOYSA-N,3,1,0.471,7,720,428.431,3.373,5,0.42,0.72,1.0,0.6255654170379,0.5536375162771572,0.4389949283805085,0.3623038174216983,0.49512541977931607
EOS-3-10780,FC(F)(F)c1cnc(Cc2cncc3nnc(-c4cnn(-c5ccccc5)c4)n23)cn1,MFHKXQIRVUYJAE-UHFFFAOYSA-N,3,1,0.321,85,362,422.374,3.377,5,0.441,0.75,1.0,0.03203173188952094,0.08082036872044411,0.8186896031800425,0.7163319854704955,0.41196842231512576
EOS-3-10781,Clc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)ccn1,ISMPEFFLOQXXRG-UHFFFAOYSA-N,3,1,0.317,3,158,452.869,3.544,6,0.373,0.77,1.0,0.01692824343773559,0.15151463230758686,0.25102803097800014,0.3844664519224179,0.2009843396614351
EOS-3-10782,Cc1nc(-c2cc(C#N)cc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)cn1C,NIKKPBOCPDQGNF-UHFFFAOYSA-N,3,1,0.378,33,348,465.477,2.445,5,0.402,0.75,1.0,0.5039236515660338,0.22691213761908025,0.3502244534301967,0.2099153587828113,0.32274390034953054
EOS-3-10783,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)c5)cn4)n23)cc1,XKVKGMPTUUQEJV-UHFFFAOYSA-N,3,1,0.584,73,969,450.289,4.529,5,0.389,0.82,1.0,0.9068346926187376,0.9501062298677266,0.7295764512370639,0.8164365019532589,0.8507384689191968
EOS-3-10784,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)nc1,UFGIFBVWZJKEQB-UHFFFAOYSA-N,3,1,0.258,98,369,433.439,2.501,6,0.412,0.67,1.0,0.06119354396545816,0.02110890274826948,0.1714155986567062,0.18451442670139126,0.10955811801795629
EOS-3-10785,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cncnc4)n23)nc1,MFMXBLDOSVZEKR-UHFFFAOYSA-N,3,1,0.241,86,953,433.439,2.501,6,0.412,0.67,0.999,0.10465355356041395,0.0402645466383387,0.09571825097662943,0.10406243574806387,0.08617469673086148
EOS-3-10786,CCc1ncnc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2F)n1,ABOBGLDLWZAKQD-UHFFFAOYSA-N,3,1,0.631,4,610,428.431,3.319,5,0.406,0.75,0.997,0.7251473511068467,0.7407819888972654,0.2510365979028168,0.2303817421698307,0.4868369200191899
EOS-3-10787,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cc1,UBTOUYNJONCJSE-UHFFFAOYSA-N,3,1,0.284,30,543,429.447,3.767,6,0.417,0.73,1.0,0.06641936810362552,0.04027311356315537,0.2295593173874306,0.3234613803029265,0.1649282948392845
EOS-3-10788,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cc1,SABWVLOBKPERKP-UHFFFAOYSA-N,3,1,0.315,30,945,429.447,3.767,6,0.417,0.73,0.903,0.10957953532999794,0.0773079295456103,0.3241638681378932,0.4031423480227537,0.2285484202590638
EOS-3-10789,c1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cc1,MOUAMCXUXOSSQI-UHFFFAOYSA-N,3,1,0.403,9,757,429.447,3.767,6,0.417,0.73,1.0,0.16703790007538893,0.13273593310945103,0.30215543828387365,0.3395757658830786,0.23537625933794806
EOS-3-10790,NC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(F)cc5)n4)n23)cn1,UDDDDVYUKSOITE-UHFFFAOYSA-N,3,1,0.37,96,204,412.388,2.548,5,0.481,0.82,0.989,0.2685730930025358,0.27763689945857034,0.2912754437667055,0.305162428894524,0.28566196628058393
EOS-3-10791,Fc1nccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)cn1,XPCUIIRSLKRSDR-UHFFFAOYSA-N,3,1,0.325,94,515,447.437,3.906,6,0.4,0.74,0.873,0.25779590158316773,0.34259989034336236,0.40931053389075456,0.46347919950654515,0.36829638133095743
EOS-3-10792,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC6(C)CC6)cc5)n34)c2)n1,IEAFQHBPDUPPRP-UHFFFAOYSA-N,3,1,0.299,74,295,452.482,2.326,6,0.43,0.7,1.0,0.17810636693852375,0.05889760811459119,0.023053594681653074,0.03628949352340484,0.07408676581454321
EOS-3-10793,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)c(F)c1,ASAYJHGKYZPIAY-UHFFFAOYSA-N,3,1,0.336,62,341,469.455,4.086,6,0.39,0.8,0.994,0.23095572613254747,0.272590980741553,0.5824652182852443,0.6537248989102872,0.43493420601740795
EOS-3-10794,OCc1cnc(-c2cc(F)cc(-c3nnc4cncc(Oc5cccc(F)c5)n34)c2)cn1,XYOMOMPNZZJJTL-UHFFFAOYSA-N,3,1,0.571,13,15,432.39,3.811,5,0.451,0.71,1.0,0.6255739839627168,0.6495528065245699,0.8430539373586458,0.8361661298060448,0.7385867144129943
EOS-3-10795,Cn1nc(-c2ccc(Cl)nc2)nc1-c1cncc2nnc(-c3cc(F)ccc3F)n12,IVVKOZQDQAQHFU-UHFFFAOYSA-N,3,1,0.354,22,844,424.802,3.58,5,0.411,0.81,0.999,0.1698135837159893,0.4674970872455623,0.529478788294154,0.697005003084093,0.4659486155849496
EOS-3-10796,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nn5)n4)n23)nc1,BSDCDWQQKWZMHM-UHFFFAOYSA-N,3,1,0.39,33,53,457.429,2.116,5,0.407,0.66,0.958,0.44777602631759306,0.26745082585155233,0.17802926461517374,0.11053903090946474,0.25094878692344597
EOS-3-10797,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1,XHRHDGACCNLOLL-UHFFFAOYSA-N,3,1,0.314,64,195,434.438,4.24,6,0.413,0.76,1.0,0.005774107326434103,0.0936793228702625,0.5124391748338016,0.6190117195531492,0.3077260811459118
EOS-3-10798,Cn1cncc1-c1cc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)nc(CF)n1,VNGYZHWUKXWRJL-UHFFFAOYSA-N,3,1,0.327,74,768,447.409,2.356,5,0.438,0.63,0.999,0.25269858131725037,0.19261017065314234,0.25104516482763345,0.22424782400109658,0.23015043519978068
EOS-3-10799,Cc1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cc5)n34)cn2)cnn1C,PQZKSUCIFHWIBS-UHFFFAOYSA-N,3,1,0.309,38,339,434.463,4.217,6,0.41,0.78,1.0,0.09011548214652869,0.06659070659995887,0.39879891714070315,0.3588170790213145,0.2285805462271263
EOS-3-10800,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1,MYWBFTYYPMXZHZ-UHFFFAOYSA-N,3,1,0.293,86,601,434.427,1.896,6,0.404,0.68,1.0,0.06457747926804194,0.05104173805770681,0.03823418545678843,0.05020217942567336,0.05101389555205263
EOS-3-10801,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)nc1,VIPQGSUMMJWFLI-UHFFFAOYSA-N,3,1,0.259,86,421,434.427,1.896,6,0.404,0.68,1.0,0.08732266465629497,0.05499109039819067,0.06045678843122473,0.07368412034815983,0.06911366595846755
EOS-3-10802,Cn1cc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)cn1,OJNGTRWMSJFELE-UHFFFAOYSA-N,3,1,0.64,43,623,434.862,4.563,5,0.405,0.82,1.0,0.8685662394626825,0.9007350421492701,0.9150932081420053,0.9137053663217052,0.8995249640189158
EOS-3-10803,COc1ncccc1-c1cncc2nnc(-c3cnc(-c4ccc(Cl)nn4)nc3)n12,RCWGVHFFCNCYDM-UHFFFAOYSA-N,3,1,0.325,50,489,417.82,2.762,5,0.435,0.79,0.997,0.41320848468233845,0.4143050510588719,0.152619765608937,0.16797169488040573,0.28702624905763824
EOS-3-10804,Cn1ncnc1-c1cncc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c1,GKIMTCYUPOUTNF-UHFFFAOYSA-N,3,1,0.305,10,37,421.428,2.23,6,0.425,0.75,0.992,0.002732849016517031,0.004968816393667329,0.08897608114591186,0.11546501267904873,0.053035689808786236
EOS-3-10805,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,KTMITSCBFZHYES-UHFFFAOYSA-N,3,1,0.349,30,474,431.463,3.711,6,0.419,0.75,1.0,0.08076896717154411,0.07012884654924269,0.16822870262490577,0.2478925364950997,0.14175476321019806
EOS-3-10806,Cc1nc(-c2ncc(F)cn2)c(-c2cncc3nnc(-c4ccc(C#N)cc4F)n23)n1C,JPDFIZCAPRHAKA-UHFFFAOYSA-N,3,1,0.361,50,155,429.394,3.107,5,0.433,0.74,0.707,0.29573024467137277,0.342608457268179,0.3803714618600507,0.47291995065451303,0.3729075286135289
EOS-3-10807,N#Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)cn1,IVZGGTXKMZIDEZ-UHFFFAOYSA-N,3,1,0.43,46,119,424.399,3.233,5,0.422,0.73,1.0,0.8114077170858749,0.6986584195737098,0.732283599479131,0.6943492563909259,0.7341747481324103
EOS-3-10808,OCc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)nc1,FWSCNSWXEMGPCW-UHFFFAOYSA-N,3,1,0.436,46,128,430.403,2.249,5,0.432,0.68,1.0,0.5063909259132342,0.467505654170379,0.4459684051812761,0.4001353574121034,0.45500008566924816
EOS-3-10809,Cn1nnc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)c2)n1,ZELFCPZCIKCDGU-UHFFFAOYSA-N,3,1,0.321,70,723,433.439,2.501,6,0.412,0.68,1.0,0.05410869714207388,0.05499965732300734,0.12828113220478377,0.14454972243163594,0.09548480227537523
EOS-3-10810,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cc1,QEMBFRARBRERLF-UHFFFAOYSA-N,3,1,0.306,98,167,433.439,2.501,6,0.412,0.68,1.0,0.07855870056884381,0.07013741347405936,0.18758995271057502,0.189911589335892,0.13154941402234255
EOS-3-10811,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnc(C)s5)c4)n23)nn1,CKJDTJMJWQFSGW-UHFFFAOYSA-N,3,1,0.476,53,785,434.46,3.435,5,0.414,0.74,0.999,0.5917003632376122,0.5444280720992393,0.1945120279624426,0.18992015626070866,0.3801401548900007
EOS-3-10812,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cc2)n(C)n1,LBZAVDPITBSKJY-UHFFFAOYSA-N,3,1,0.316,98,866,450.47,2.148,6,0.396,0.68,1.0,0.15636351175382085,0.08426427249674456,0.028262284970187103,0.025478034404770065,0.07359202590638066
EOS-3-10813,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)cn2)n1,NDZIWGFHVDULKU-UHFFFAOYSA-N,3,1,0.3,98,167,436.443,1.839,6,0.406,0.7,1.0,0.08498389418134467,0.03687204441093825,0.05102460420807347,0.052720855321773695,0.05640034953053252
EOS-3-10814,Cn1ncc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)c1-c1ccc(F)cc1,ZEGNHNQBXYNGIV-UHFFFAOYSA-N,3,1,0.337,3,289,437.442,3.579,6,0.419,0.72,1.0,0.020749091905969432,0.14383010074703584,0.31306113357549176,0.4192567336029059,0.22422426495785075
EOS-3-10815,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)nc4)n23)cn1,BVUOPSOIPLJBCV-UHFFFAOYSA-N,3,1,0.432,92,185,441.415,0.767,5,0.396,0.7,1.0,0.5526694537728737,0.23177815091494758,0.03042971694880406,0.011599616201768213,0.20661923445959837
EOS-3-10816,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,PTKMIZLNLDCKBK-UHFFFAOYSA-N,3,1,0.307,38,787,431.463,3.711,6,0.419,0.73,1.0,0.09475875539716264,0.05890617503940786,0.31696765129189225,0.3427026934411624,0.20333381879240628
EOS-3-10817,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)n1,SCCHCJNNEPKYFH-UHFFFAOYSA-N,3,1,0.299,3,973,440.858,3.478,6,0.446,0.7,0.789,0.07056575971489275,0.24203275992049894,0.23333733123158112,0.3911829209786855,0.2342796929614146
EOS-3-10818,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cc1,OXBAAINHXOVDOJ-UHFFFAOYSA-N,3,1,0.316,98,746,451.429,2.64,6,0.398,0.67,1.0,0.20336166129806044,0.262302104036735,0.13121102049208416,0.17348022753752312,0.19258875334110068
EOS-3-10819,N#Cc1cnc(-c2cc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)ccc2Cl)nc1,RUIDVMLEPSZORJ-UHFFFAOYSA-N,3,1,0.381,85,260,461.276,3.203,5,0.396,0.69,1.0,0.4315502707148242,0.5631810705229251,0.40931910081557127,0.5667363443218423,0.49269669659379073
EOS-3-10820,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncn5C)c4)n23)cc1F,XYVGUSGVJQYRAS-UHFFFAOYSA-N,3,1,0.484,16,788,458.457,2.665,5,0.416,0.71,1.0,0.582859296826811,0.34261702419299567,0.5050887533411007,0.34917072167774654,0.44493394900966343
EOS-3-10821,Cc1cccnc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cn1,DHIUCIMLBXNWFG-UHFFFAOYSA-N,3,1,0.268,70,72,444.462,3.471,6,0.402,0.7,1.0,0.09012404907134534,0.04746076348433966,0.25813001165101773,0.2716400520869029,0.16683871907340142
EOS-3-10822,Cn1c(-c2ccc(F)cc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,ZGAVKEJKYHFYLE-UHFFFAOYSA-N,3,1,0.443,8,635,439.414,3.443,6,0.411,0.7,1.0,0.2335772051264478,0.39041189774518537,0.247421355630183,0.34271126036597904,0.30353042971694877
EOS-3-10823,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,UHOLWDKNSWTFFK-UHFFFAOYSA-N,3,1,0.329,25,508,466.896,3.759,6,0.386,0.8,1.0,0.24745562332944965,0.3904204646700021,0.395089438695086,0.507067712973751,0.38500830991707213
EOS-3-10824,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)nc4OC)n23)cc1F,NXOVOHWYMANTJG-UHFFFAOYSA-N,3,1,0.315,74,768,471.456,2.521,5,0.41,0.71,1.0,0.39383010074703584,0.347534439037763,0.2013741347405935,0.11309197450483174,0.263957662257556
EOS-3-10825,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nn(C)n5C)c4)n23)cc1,LDIUWJMDNVJDML-UHFFFAOYSA-N,3,1,0.523,89,895,443.471,1.864,5,0.426,0.7,1.0,0.4477845932424097,0.22151497498457953,0.08413576862449455,0.030978000137070798,0.19610333424713863
EOS-3-10827,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)s1,YISOFAQJRLPUPY-UHFFFAOYSA-N,3,1,0.276,76,301,437.492,3.772,6,0.414,0.74,0.995,0.043331505722705776,0.07731649647042697,0.11412857240764855,0.1979987663628264,0.10819383524090193
EOS-3-10828,Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc1O,MSIFEYXJBYNACD-UHFFFAOYSA-N,3,1,0.386,0,685,417.444,3.427,5,0.519,0.78,1.0,0.4594784456171613,0.3715218285244329,0.4459769721060928,0.4667174970872456,0.43592368583373314
EOS-3-10829,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncn6)cn5)n34)cc2)n1C,ADGVHCCDRGZZCC-UHFFFAOYSA-N,3,1,0.319,38,193,445.49,4.019,6,0.404,0.75,1.0,0.192464532931259,0.07732506339524364,0.41272873689260503,0.3427198272907957,0.25630954012747587
EOS-3-10830,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)cn1,IEDQXUGIJKYMKH-UHFFFAOYSA-N,3,1,0.473,46,238,430.859,3.579,5,0.416,0.72,0.985,0.5947073538482627,0.516971078061819,0.4881690768281818,0.46969878692344597,0.5173865739154274
EOS-3-10831,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)cnc5F)nc4)n23)cc1,PSTLDPGKFDWEMX-UHFFFAOYSA-N,3,1,0.343,62,582,469.455,4.086,6,0.39,0.83,1.0,0.2762490576382702,0.23178671783976423,0.5496795970118566,0.6068723870879309,0.4161469398944555
EOS-3-10832,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(F)c1,RCHOQIRILZYXLU-UHFFFAOYSA-N,3,1,0.494,37,482,450.865,3.396,5,0.391,0.73,1.0,0.7866664382153382,0.7839078884243712,0.4127373038174217,0.4540727160578439,0.6093460866287437
EOS-3-10833,Cn1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)n1,BGYRRSNMAPVOJJ-UHFFFAOYSA-N,3,1,0.319,98,865,434.467,3.049,6,0.42,0.67,1.0,0.05081899801247344,0.05105030498252347,0.18106195600027414,0.1679802618052224,0.11272788020012336
EOS-3-10834,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cc5)n34)nc2)n1,DWIIOYVSEWZUAZ-UHFFFAOYSA-N,3,1,0.303,38,725,433.479,3.654,6,0.421,0.72,1.0,0.05942019052840792,0.05105887190734014,0.44958364745390994,0.3784010691522171,0.23461594476046876
EOS-3-10835,COc1cc(-c2nnc3cncc(OCc4nccc(C)n4)n23)ccc1-c1ccccn1,BPSLYZVZINANRT-UHFFFAOYSA-N,3,1,0.458,97,61,425.452,3.539,5,0.407,0.77,1.0,0.4913988074840655,0.26231067096155164,0.3169762182167089,0.19800733328764306,0.31717325748749226
EOS-3-10836,CC(C)N1CCN(C(=O)c2ccc(Cc3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)cn2)CC1,CXQHQMKRSABRAD-UHFFFAOYSA-N,3,1,0.365,63,345,484.539,2.954,5,0.429,0.86,0.986,0.144909533273936,0.1097251730518813,0.024929751216503326,0.0976715098348297,0.09430899184428758
EOS-3-10837,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cn1,CTHUEDOAZSSCET-UHFFFAOYSA-N,3,1,0.314,39,972,450.441,3.245,6,0.402,0.72,1.0,0.14782228771160305,0.1883609759440751,0.21208279076142827,0.2924833801658557,0.21018735864574056
EOS-3-10838,Fc1ccncc1-c1nccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,QPHGGLYOCRKMQY-UHFFFAOYSA-N,3,1,0.556,97,539,433.834,4.015,5,0.413,0.75,1.0,0.916986498526489,0.9626139401000616,0.67443972311699,0.735170653142348,0.8223027037214721
EOS-3-10839,Cn1cc(-c2cccc(-c3nnc4cncc(COCc5ccc(F)c(F)c5)n34)c2)cn1,OSXCOJPOGWCYCO-UHFFFAOYSA-N,3,1,0.647,14,623,432.434,4.187,5,0.403,0.8,1.0,0.4502947022136934,0.484913645397848,0.9103299979439381,0.8837639640874512,0.6823255774107326
EOS-3-10840,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5nnc(Cl)n5)nn4)n23)cc1,VIHSTHPWSIQYDZ-UHFFFAOYSA-N,3,1,0.542,36,404,441.242,2.443,5,0.405,0.69,1.0,0.46655472551572885,0.7220803920224796,0.10880851209649785,0.2421184291686656,0.384890514700843
EOS-3-10841,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)c(F)c1,IOSBEFPGDMOWAK-UHFFFAOYSA-N,3,1,0.299,98,154,438.43,3.178,6,0.449,0.69,1.0,0.2713402097183195,0.3280789527791104,0.4673600164484957,0.45408128298266054,0.38021511548214654
EOS-3-10842,COCc1ncc(-c2nnc3cncc(-c4cncc(-c5cncc(OC)n5)c4)n23)cn1,HZEJDLBFIPIBQA-UHFFFAOYSA-N,3,1,0.295,51,489,427.428,2.255,5,0.398,0.71,0.992,0.3481426906997464,0.1327445000342677,0.14624597354533617,0.09177746556096224,0.17972765746007813
EOS-3-10843,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)c(CF)c5)n34)nc2)n1,VXPNGCIMDSYXSX-UHFFFAOYSA-N,3,1,0.338,50,918,422.815,2.562,5,0.434,0.71,1.0,0.22250017133849634,0.39042903159481873,0.18107052292509082,0.28366801452950446,0.2694169350969776
EOS-3-10844,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccncn5)n34)c2)cc1F,OKLQDXHCUXUFPZ-UHFFFAOYSA-N,3,1,0.451,11,503,431.406,3.543,5,0.406,0.75,1.0,0.7003632376122267,0.6164844767322322,0.7219518881502296,0.7242478240010966,0.6907618566239462
EOS-3-10845,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nn4)n23)c1,OPGTWDMOXVCGKU-UHFFFAOYSA-N,3,1,0.552,19,691,447.861,4.057,5,0.362,0.8,1.0,0.8663731067096155,0.8986361455691865,0.6715869371530395,0.7351792200671647,0.7929438523747516
EOS-3-10846,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnn5)cn4)n23)nc1,VQRMRTNUUMODSS-UHFFFAOYSA-N,3,1,0.338,94,106,448.425,3.301,6,0.4,0.69,1.0,0.22841134946199712,0.29841169213898977,0.4023284901651703,0.4818381193886642,0.35274741278870536
EOS-3-10847,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,XUFYKBYCDIVVEY-UHFFFAOYSA-N,3,1,0.523,44,531,445.433,3.851,5,0.392,0.74,1.0,0.7607771914193681,0.6495613734493866,0.6660098690973888,0.645269344116236,0.6804044445205948
EOS-3-10848,NC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)ccc4Cl)n23)cn1,WTUJSIVVYMDYJW-UHFFFAOYSA-N,3,1,0.495,24,786,458.869,2.975,5,0.41,0.73,0.998,0.5089181687341512,0.5035809745733671,0.22581557124254678,0.227434720032897,0.3664373586457405
EOS-3-10849,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)nc1,ZLSXQSBMFORAFQ-UHFFFAOYSA-N,3,1,0.477,2,491,435.81,2.805,5,0.41,0.67,1.0,0.5828678637516277,0.6018350352957302,0.3388047426495785,0.3844750188472346,0.47699566513604275
EOS-3-10850,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)nc4)n23)ccc1Cl,RWAAHAVICLHDOJ-UHFFFAOYSA-N,3,1,0.561,73,391,435.81,2.805,5,0.41,0.67,1.0,0.9314046329929409,0.9468593653622096,0.48112706462888083,0.537111918305805,0.7241257453224591
EOS-3-10851,Fc1ccc(-c2nnccc2-c2nnc3cncc(-c4ccc(-c5nncnn5)cn4)n23)cc1,WRDGUWYINWBSII-UHFFFAOYSA-N,3,1,0.358,98,314,449.413,2.696,6,0.395,0.67,1.0,0.2685816599273525,0.37153039544924954,0.2840363922966212,0.3844835857720513,0.3271580083613186
EOS-3-10852,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cncnc5)n34)nc2)n1,BQFXDCSTBNHMLI-UHFFFAOYSA-N,3,1,0.293,86,968,434.427,1.896,6,0.404,0.69,1.0,0.08499246110616133,0.06274415735727504,0.056550270714824206,0.0646974162154753,0.06724607634843398
EOS-3-10853,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)cn2)cn1,SFCHYMDLDWRQDM-UHFFFAOYSA-N,3,1,0.295,86,114,432.451,3.106,6,0.418,0.69,0.999,0.032040298814337606,0.027979576451237064,0.16823726954972243,0.1790487286683572,0.10182646837091358
EOS-3-10854,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)nc2)cn1,ILQTUYQBEWVTNE-UHFFFAOYSA-N,3,1,0.266,30,880,432.451,3.106,6,0.418,0.69,1.0,0.038962374066205195,0.011051333013501474,0.19452059488725926,0.23923137550544857,0.12094141936810363
EOS-3-10855,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)nc1,OZMMIEMGXMLLRE-UHFFFAOYSA-N,3,1,0.275,30,880,432.451,3.106,6,0.418,0.69,0.827,0.08733123158111164,0.013073127270235076,0.1341580426290179,0.17612740730587348,0.10267245219655952
EOS-3-10856,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccnc(C(F)(F)F)c4)n23)c(F)c1,OOOGMPGAZDHSEW-UHFFFAOYSA-N,3,1,0.357,61,917,441.352,3.202,5,0.397,0.73,1.0,0.3212339798505928,0.4808015214858474,0.8834384209444178,0.8201888150229594,0.6264156843259543
EOS-3-10857,c1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnnc6)cn5)n34)cn2)nc1,UOZRRIQOFPJBLK-UHFFFAOYSA-N,3,1,0.311,70,72,430.435,3.162,6,0.415,0.7,1.0,0.09013261599616201,0.09050099376327873,0.27667740387910356,0.29551607155095605,0.1882067712973751
EOS-3-10858,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)cn1,FDPRXYDPPUCHJX-UHFFFAOYSA-N,3,1,0.35,86,790,430.435,3.162,6,0.415,0.7,1.0,0.1317336029059009,0.14383866767185252,0.30933452128024125,0.29552463847577276,0.22010785758344187
EOS-3-10859,Cn1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c2)n1,WVVAISXBIYOIHC-UHFFFAOYSA-N,3,1,0.529,36,895,435.398,2.893,5,0.401,0.74,1.0,0.5974744705640463,0.43696456719895826,0.5696833664587759,0.5070762798985676,0.5277996710300871
EOS-3-10860,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccnn4)n23)cc1,AIOWHYGCJYXMIS-UHFFFAOYSA-N,3,1,0.282,98,615,433.439,2.501,6,0.412,0.69,1.0,0.11517373723528203,0.04028168048797204,0.12000548283188267,0.1420824480844356,0.10438583715989308
EOS-3-10861,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)c(C)n1,VNJHGXJJOQKZRC-UHFFFAOYSA-N,3,1,0.518,65,393,426.484,3.395,5,0.393,0.81,1.0,0.3264084024398602,0.1883695428688918,0.16500753889383868,0.1105475978342814,0.197583270509218
EOS-3-10862,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4)n23)c(F)c1,QWTIJKOVEPZKIX-UHFFFAOYSA-N,3,1,0.37,62,3,414.4,3.612,5,0.482,0.81,1.0,0.3008361318621068,0.29350284421903916,0.6607754780344047,0.5795267630731272,0.45866030429716953
EOS-3-10863,Clc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)cn1,ZNILOKROPDSAHJ-UHFFFAOYSA-N,3,1,0.517,75,496,430.859,3.313,5,0.404,0.72,1.0,0.6795284764580906,0.7583698855458845,0.33881330957439515,0.37506853539853335,0.5379450517442258
EOS-3-10864,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(F)c(C(F)(F)F)c4)n23)nc1,QEXFUODURAMPAW-UHFFFAOYSA-N,3,1,0.364,63,505,457.391,3.222,5,0.365,0.76,0.996,0.16172640668905489,0.3475430059625797,0.7798985676101706,0.7268950037694469,0.5040157460078131
EOS-3-10865,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(C(F)F)cn4)n23)cc1,FNVLLXRLITYAGK-UHFFFAOYSA-N,3,1,0.524,68,12,411.372,2.458,4,0.519,0.81,1.0,0.5888647111232952,0.38570865602083476,0.5464241655815228,0.36231238434651497,0.47082747926804197
EOS-3-10866,Fc1ccc(Cl)cc1-c1nnc2cncc(OCc3nncnc3-c3ccccn3)n12,NUVQVTCTJOFYQM-UHFFFAOYSA-N,3,1,0.506,34,820,434.822,3.41,5,0.414,0.72,0.999,0.6200054828318826,0.7267236652731136,0.4201648276334727,0.5536546501267905,0.5801371564663148
EOS-3-10867,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccccc5F)nn4)n23)cc1,AGWUTHCWUGGZLI-UHFFFAOYSA-N,3,1,0.355,62,302,467.464,4.072,6,0.401,0.82,1.0,0.4177403879103557,0.4369731341237749,0.3576262764717977,0.40971317935713797,0.4055132444657666
EOS-3-10868,Cn1cnnc1-c1ccc(NCc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cn1,DTDVXJUSGCOOPB-UHFFFAOYSA-N,3,1,0.34,85,60,427.432,1.088,5,0.405,0.71,0.994,0.06458604619285861,0.011959427044068261,0.02306216160646974,0.007590295387567679,0.02679948255774107
EOS-3-10869,Fc1c(Cl)cccc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)nc1,OAZPAUNZYRLXTM-UHFFFAOYSA-N,3,1,0.511,11,384,446.873,4.662,5,0.377,0.89,1.0,0.8318483996984443,0.8781611952573504,0.8514323898293469,0.8661503666643822,0.856898087862381
EOS-3-10870,Fc1cc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)ccn1,XLSRYUJUBICHMJ-UHFFFAOYSA-N,3,1,0.272,94,664,436.414,3.03,6,0.388,0.73,0.63,0.0030326913851004044,0.09368788979507915,0.3613785895414982,0.39119148790350217,0.21232266465629498
EOS-3-10871,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cc2)n1,JDXNUKXGGYOTTL-UHFFFAOYSA-N,3,1,0.333,9,498,444.462,3.471,6,0.402,0.71,1.0,0.13951237063943528,0.08082893564526078,0.17142416558152285,0.2215492426838462,0.15332867863751629
EOS-3-10872,Fc1ccccc1-c1ncc(-c2cncc3nnc(-c4cnc(-c5ccncc5)cn4)n23)cn1,HQKVTVNTQCWXRG-UHFFFAOYSA-N,3,1,0.411,42,72,447.437,3.906,6,0.4,0.71,1.0,0.2633301350147351,0.3523233500102803,0.4913474059351655,0.5441796312795559,0.4127951305599342
EOS-3-10873,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)cn1,MDUDCAWUFGKRBW-UHFFFAOYSA-N,3,1,0.279,99,286,436.443,1.839,6,0.406,0.67,0.89,0.057604002467274346,0.030720992392570763,0.05281509149475704,0.050210746350490026,0.047837708176273044
EOS-3-10874,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cn1,UQNQGNZYGXLMMR-UHFFFAOYSA-N,3,1,0.329,30,757,447.437,3.906,6,0.375,0.77,0.998,0.3238040572955932,0.3667500514015489,0.40233705708998696,0.4634877664313618,0.3890947330546227
EOS-3-10875,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)nc4)n23)nc1,AIOPVLZASXTWPU-UHFFFAOYSA-N,3,1,0.41,42,106,449.453,3.85,6,0.403,0.74,1.0,0.09958193406894661,0.2420413268453156,0.4946199712151326,0.5038636830923172,0.33502672880542805
EOS-3-10876,Cn1cc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)n2)cn1,VWCWSCGBGIJMDY-UHFFFAOYSA-N,3,1,0.321,64,176,449.453,3.85,6,0.403,0.74,1.0,0.12032245905009938,0.2065399904050442,0.40234562401480367,0.4540898499074772,0.29582448084435614
EOS-3-10877,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4cccc(CO)n4)n23)cc1,GSOZNGKBXYZBJB-UHFFFAOYSA-N,3,1,0.312,25,791,462.477,2.598,6,0.41,0.7,1.0,0.18108765677472413,0.11900315262833254,0.15871084915358782,0.1734887944623398,0.15807261325474606
EOS-3-10878,Cn1ncnc1-c1cc(Cl)c(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,AJOBQLDJQLEYJG-UHFFFAOYSA-N,3,1,0.287,98,7,455.873,3.087,6,0.429,0.68,1.0,0.21991296004386265,0.2569734768007676,0.20846754848879445,0.2806181892947707,0.24149304365704888
EOS-3-10879,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cccnc6)n5)n34)nc2)nc1,IBGPDNGWWFWPQE-UHFFFAOYSA-N,3,1,0.316,32,687,429.447,3.767,6,0.417,0.74,0.995,0.142330888904119,0.10973373997669797,0.287780138441505,0.3113477486121582,0.21279812898362002
EOS-3-10880,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)ccn1,CXAVHDWAMTTZHI-UHFFFAOYSA-N,3,1,0.311,94,170,429.447,3.767,6,0.417,0.74,1.0,0.12033102597491604,0.11282639983551504,0.5160629840312522,0.5038722500171339,0.31327316496470425
EOS-3-10882,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nc1,YSFPIJNBVCLJHH-UHFFFAOYSA-N,3,1,0.309,70,652,450.441,3.245,6,0.402,0.69,0.999,0.18380337194160784,0.2623192378863683,0.3130697005003084,0.34272839421561235,0.2754801761359742
EOS-3-10883,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)c(F)c2)n1,FWUHWAQSUYFWLU-UHFFFAOYSA-N,3,1,0.325,42,219,450.441,3.245,6,0.402,0.69,1.0,0.252707148242067,0.26232780481118495,0.3057278459324241,0.3623209512713316,0.29577093756425193
EOS-3-10884,Cn1nc(-c2nnc3cncc(OCc4ccc(C#N)cc4)n23)cc1-c1ncc(F)cn1,FJDTVQOQYBBGIE-UHFFFAOYSA-N,3,1,0.437,95,694,427.403,2.572,5,0.42,0.71,1.0,0.5319117949420876,0.395038037146186,0.38785895414981836,0.39398430539373586,0.427198272907957
EOS-3-10885,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cn2)nn1,URYXLDOZUSTRLM-UHFFFAOYSA-N,3,1,0.301,10,952,453.857,2.939,6,0.396,0.71,0.785,0.027345624014803647,0.1711157562881228,0.10347988486053046,0.19801590021245974,0.12498929134397917
EOS-3-10886,Fc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)c1,RNDKIAJNALLMPE-UHFFFAOYSA-N,3,1,0.453,19,207,431.406,3.543,5,0.406,0.73,1.0,0.6116955657597148,0.5829449660749777,0.6522256870673703,0.7137619080254952,0.6401570317318894
EOS-3-10887,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cc5F)n4)n23)cc1,YJFXCHUDAKSUOD-UHFFFAOYSA-N,3,1,0.477,73,401,447.861,4.323,5,0.396,0.79,1.0,0.8663816736344322,0.8383592625591118,0.6435559591529024,0.6681258995271058,0.7541056987183881
EOS-3-10888,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3cncnc3-c3cccc(F)c3)n12,WHTUOGIABKKJPU-UHFFFAOYSA-N,3,1,0.378,30,474,449.453,3.85,6,0.403,0.76,0.999,0.11215817969981495,0.2725995476663697,0.24742992255499965,0.3939928723185525,0.2565451305599342
EOS-3-10889,Fc1ccnc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1,KRWVRJZMEXQHJB-UHFFFAOYSA-N,3,1,0.256,10,195,436.414,3.03,6,0.414,0.67,0.937,0.0012507710232335,0.055008224247824,0.24743848947981634,0.3655506819272154,0.1673120416695223
EOS-3-10890,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)cc1,KFSVSFUERFSAAZ-UHFFFAOYSA-N,3,1,0.297,38,193,435.451,3.787,6,0.402,0.75,1.0,0.12581385785758345,0.07382975807004317,0.18444589130285793,0.1899287231855253,0.14350455760400246
EOS-3-10891,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c(F)c1,NYGSJBUFCAFHFS-UHFFFAOYSA-N,3,1,0.327,98,219,456.47,3.306,6,0.397,0.71,1.0,0.1838119388664245,0.2984202590638065,0.24391748338016586,0.3051709958193407,0.2578301692824344
EOS-3-10892,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-n5cccc5)c4)n23)c(F)c1,ZQOUANPETUSHNO-UHFFFAOYSA-N,3,1,0.478,97,214,429.415,2.794,5,0.444,0.68,1.0,0.5270629154958536,0.34755157288739635,0.6107360701802481,0.5070848468233843,0.49810885134672056
EOS-3-10893,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5F)o4)n23)nc1,ISAMISGNPXJEKG-UHFFFAOYSA-N,3,1,0.325,10,541,439.414,3.443,6,0.411,0.75,0.993,0.15896785689808787,0.23666986498526488,0.29128401069152215,0.3331591391953944,0.25502021794256735
EOS-3-10894,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnc(C)c5C)cc4Cl)n23)cc1,SEIUBUCHHZCTTD-UHFFFAOYSA-N,3,1,0.359,62,124,469.936,4.545,5,0.415,0.84,1.0,0.2792217805496539,0.267459392776369,0.5361695565759715,0.4445634295113426,0.38185353985333426
EOS-3-10896,Fc1cc(-c2ncccn2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)n1,HFQNFWUVWBPAEZ-UHFFFAOYSA-N,3,1,0.408,58,602,449.837,2.847,5,0.36,0.74,0.998,0.6517545062024536,0.6300116510177507,0.21209135768624496,0.2777568364060037,0.4429035878281132
EOS-3-10897,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2F)ncn1,JPXKDEUYCDGQDZ-UHFFFAOYSA-N,3,1,0.588,35,393,427.443,3.712,5,0.408,0.75,1.0,0.9157357275032554,0.8349838941813447,0.6405918031663355,0.5634295113426084,0.7386852340483859
EOS-3-10898,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cc(F)ccn5)c4)n23)cn1,BSSOHCLQWHMODD-UHFFFAOYSA-N,3,1,0.361,82,514,412.388,2.548,5,0.481,0.84,1.0,0.21431875813857856,0.17987972037557398,0.39509800561990266,0.3940014392433692,0.29582448084435614
EOS-3-10899,C#CCCc1nc(-c2ccccc2)nc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,SRNDMNNPOOGCED-UHFFFAOYSA-N,3,1,0.367,62,124,446.474,2.975,5,0.398,0.73,1.0,0.18109622369954081,0.03688061133575492,0.09127201699677884,0.08980707285312864,0.09976398122130081
EOS-3-10900,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)c1,FAUXUNUPIYZYLF-UHFFFAOYSA-N,3,1,0.338,64,498,447.437,3.906,6,0.4,0.72,1.0,0.195043177301076,0.28283702282228773,0.48817764375299844,0.5948444246453293,0.3902255671304229
EOS-3-10901,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)cn1,HKHBSGIEUUINQR-UHFFFAOYSA-N,3,1,0.494,51,196,436.838,3.353,5,0.417,0.71,1.0,0.6704132684531561,0.6691110958810226,0.582473785210061,0.5886762387773284,0.627668597080392
EOS-3-10902,N#Cc1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)ccn1,JKTVISPZIBJSSY-UHFFFAOYSA-N,3,1,0.299,69,867,453.469,4.244,6,0.389,0.78,1.0,0.27134877664313617,0.23667843191008156,0.5983397299705298,0.5730930025358097,0.41986498526488936
EOS-3-10903,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)n5)nc(C)n4)n23)cc1,SILKKBMLJDCIIC-UHFFFAOYSA-N,3,1,0.452,89,926,456.47,1.624,5,0.404,0.7,0.994,0.40656911794942086,0.18398327736275785,0.056558837639640876,0.015531834692618738,0.1656607669111096
EOS-3-10904,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,JOLYYOMBQUXQLE-UHFFFAOYSA-N,3,1,0.323,8,723,432.451,3.106,6,0.418,0.7,1.0,0.06120211089027483,0.04746933040915633,0.12558255088753342,0.17613597423069016,0.10259749160441368
EOS-3-10905,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cc5)n34)cn2)cn1,HCDJYJCWPYEENS-UHFFFAOYSA-N,3,1,0.307,42,174,430.475,4.316,6,0.414,0.79,1.0,0.06459461311767528,0.07014598039887603,0.6406003700911521,0.6190202864779659,0.34859031252141737
EOS-3-10906,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4c(-c5ncccn5)cnn4C)n23)cc1,UXKNNSCXORHSRA-UHFFFAOYSA-N,3,1,0.25,98,866,436.443,1.839,6,0.406,0.68,1.0,0.04187512850387225,0.025606538277020082,0.023858885614419848,0.030986567061887463,0.03058177986429991
EOS-3-10907,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cncnc6)n5C)n34)cc2)nn1,PUZSRDOSJAZPML-UHFFFAOYSA-N,3,1,0.327,8,882,436.443,1.839,6,0.406,0.68,1.0,0.038970940991021864,0.034010691522171205,0.0382427523816051,0.04895140840243986,0.040043948324309506
EOS-3-10908,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)nc1,MRHWFZVPGLVGSP-UHFFFAOYSA-N,3,1,0.427,51,435,433.382,2.95,5,0.398,0.71,1.0,0.5449249537386059,0.4990662051949832,0.595058597765746,0.5103231444040847,0.537343225275855
EOS-3-10909,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nc1,YYCFNBRBTGRNIV-UHFFFAOYSA-N,3,1,0.694,43,293,432.846,4.62,5,0.403,0.81,1.0,0.9729542183537797,0.9769978068672469,0.8334075800150778,0.8545250496881639,0.9094711637310672
EOS-3-10910,Fc1cc(-c2nnc3cncc(CCc4ccc(C(F)(F)F)nn4)n23)ccc1Cl,OERDRDZHGHDPID-UHFFFAOYSA-N,3,1,0.453,66,225,422.773,4.178,4,0.461,0.79,1.0,0.6087142759235145,0.8164108011788088,0.967274347200329,0.9584247138647112,0.8377060345418409
EOS-3-10911,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cc5)n4C)n23)cc1,KKZDMHBHARBVDZ-UHFFFAOYSA-N,3,1,0.423,8,642,468.912,3.703,6,0.388,0.78,1.0,0.12878658076896718,0.39504660407100267,0.1844544582276746,0.3017270920430402,0.2525036837776712
EOS-3-10912,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)n5C)n34)nc2)cn1,YYKXMRFSIGLNHR-UHFFFAOYSA-N,3,1,0.312,8,934,462.477,3.114,6,0.38,0.8,0.994,0.09959050099376328,0.08749400315262833,0.12001404975669934,0.11055616475909807,0.10441367966554725
EOS-3-10913,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cc2)c1,LFWNMIBKQCDOKL-UHFFFAOYSA-N,3,1,0.38,93,689,434.438,4.24,6,0.413,0.77,1.0,0.034558974710437944,0.2881142485093551,0.5050973202659174,0.6452779110410527,0.36826211363169076
EOS-3-10914,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ncn2)cc1,XWZLQFDKFNPHJE-UHFFFAOYSA-N,3,1,0.472,44,130,433.834,4.015,5,0.413,0.73,1.0,0.5917089301624289,0.6641851141114385,0.7219604550750462,0.7851929271468714,0.6907618566239462
EOS-3-10915,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCn6cccc65)n4C)n23)cc1,MKIXJAXSAZAAEH-UHFFFAOYSA-N,3,1,0.304,52,124,466.505,2.618,6,0.439,0.72,1.0,0.12879514769378383,0.06659927352477554,0.03683777671167158,0.02455280652456994,0.06419625111370023
EOS-3-10916,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(F)(F)F)nn5)n34)cn2)n1,SYBYVZVWJQYRON-UHFFFAOYSA-N,3,1,0.366,76,121,445.368,3.596,5,0.413,0.69,0.999,0.2578044685079844,0.44989205674731,0.8902234253992187,0.8054108697142074,0.6008327050921801
EOS-3-10917,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)ns4)n23)cc1F,RZWWCQCQMTUYKY-UHFFFAOYSA-N,3,1,0.345,74,155,466.889,3.524,5,0.403,0.77,1.0,0.23651566033856486,0.3083407580015078,0.3057364128572408,0.35534747447056403,0.30148507641696937
EOS-3-10918,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cn2)cc1,DNJVLYGKMCILCI-UHFFFAOYSA-N,3,1,0.347,42,106,430.435,3.162,6,0.415,0.71,1.0,0.1231666780892331,0.087502570077445,0.25105373175245016,0.2836765814543212,0.18634989034336236
EOS-3-10919,c1cc(-c2cncnc2)nc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)c1,APYPLBLSNKHGNC-UHFFFAOYSA-N,3,1,0.26,94,165,430.435,3.162,6,0.415,0.71,0.899,0.057612569392091015,0.08751113700226167,0.34617229799191285,0.3491792886025632,0.21011882324720718
EOS-3-10920,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)nc5)n34)nn2)c1,UNHLTEMALHGRSM-UHFFFAOYSA-N,3,1,0.333,32,20,446.449,4.511,6,0.393,0.79,0.999,0.17236652731135632,0.2935114111438558,0.6607840449592214,0.7163405523953121,0.46075063395243643
EOS-3-10921,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnncn4)cc3F)n12,DZSCKKRJLAIFBH-UHFFFAOYSA-N,3,1,0.534,37,832,432.394,2.938,5,0.403,0.72,1.0,0.901951545473237,0.8667586183263656,0.6987355218970598,0.6798625865259407,0.7868270680556507
EOS-3-10922,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cn(C)cn1,ZKDUVEJAMVBKCO-UHFFFAOYSA-N,3,1,0.571,43,383,430.443,3.919,5,0.406,0.79,1.0,0.8642656432047152,0.6935610993077925,0.7683246521828524,0.6452864779658694,0.7428594681653073
EOS-3-10923,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1F,AQTOGDCVSRWPNR-UHFFFAOYSA-N,3,1,0.688,91,70,432.434,4.092,5,0.404,0.77,1.0,0.9212271263107394,0.7839164553491879,0.8603848262627647,0.8403039544924954,0.8514580906037968
EOS-3-10924,Fc1cncc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)c1,OLWVTWFPMOLQJD-UHFFFAOYSA-N,3,1,0.422,46,128,434.822,3.41,5,0.414,0.68,1.0,0.5526780206976903,0.7220889589472963,0.5983482968953464,0.6651360427660887,0.6345628298266054
EOS-3-10925,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Br)n4)n23)nn1,RSJIXHGYJCGXDH-UHFFFAOYSA-N,3,1,0.366,68,244,446.2,0.951,4,0.443,0.61,0.998,0.4688335275169625,0.31351518059077516,0.02307072853128641,0.02127167431978617,0.20667277773970255
EOS-3-10926,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(Cl)cc5F)n4)n23)cc1,SNMHGKMXTRVPAP-UHFFFAOYSA-N,3,1,0.343,61,681,474.887,3.724,6,0.416,0.78,0.686,0.1258224247824001,0.30834932492632444,0.3021640052086903,0.47292851757932974,0.3023160681241861
EOS-3-10927,Fc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1F,MGJIFUFSWYODDM-UHFFFAOYSA-N,3,1,0.404,14,358,434.837,4.771,5,0.407,0.82,1.0,0.5717137276403262,0.7407905558220821,0.9312332944966075,0.9494894112809266,0.7983067473099856
EOS-3-10928,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)n1,FIVGDVXFHKMKMO-UHFFFAOYSA-N,3,1,0.313,76,387,450.441,3.245,6,0.402,0.7,0.946,0.15359639503803715,0.17988828730039066,0.24392605030498252,0.28958775957782196,0.2167496230553081
EOS-3-10929,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cn1,ITISVUHWWIXMGP-UHFFFAOYSA-N,3,1,0.305,70,179,450.441,3.245,6,0.402,0.7,0.999,0.17510794325269002,0.22152354190939622,0.3093430882050579,0.342736961140429,0.26217788362689326
EOS-3-10930,Cc1cnnc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)c(C)c5)n34)c2)n1,SCBDIUHVGNNMHW-UHFFFAOYSA-N,3,1,0.433,14,18,443.898,4.493,5,0.395,0.83,1.0,0.4741450209032966,0.5080529093276678,0.5855921458433281,0.569966074977726,0.5344390377630046
EOS-3-10931,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)n1,AMWTUMHHMFQRIW-UHFFFAOYSA-N,3,1,0.494,27,946,434.41,3.498,5,0.404,0.72,1.0,0.6173069015146323,0.5587262696182578,0.6850969775889246,0.5826365567815777,0.6109416763758481
EOS-3-10932,Cn1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ccc2F)cc1=O,HGUARKQFVQXCAX-UHFFFAOYSA-N,3,1,0.477,13,145,450.38,3.762,5,0.414,0.72,1.0,0.5888732780481118,0.6935696662326092,0.902105750119937,0.9001096566376533,0.7711645877595779
EOS-3-10933,Cn1cc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)cn2)cn1,SEZZDUZUCYVMNM-UHFFFAOYSA-N,3,1,0.267,86,892,421.428,2.23,6,0.425,0.74,0.99,0.006707902131450894,0.004977383318483997,0.13416660955383455,0.13522034130628469,0.07026805907751353
EOS-3-10934,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(Cl)ncn5)cn4)n23)cn1,OQPBYMMKWVDEQZ-UHFFFAOYSA-N,3,1,0.5,4,205,430.859,3.579,5,0.39,0.76,1.0,0.5632924405455417,0.6739685422520731,0.4881862106778151,0.4352854499348914,0.5401831608525803
EOS-3-10935,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(Cl)c5)cn4)n23)cn1,UYFKHDPROWVIQM-UHFFFAOYSA-N,3,1,0.461,7,85,430.859,3.579,5,0.39,0.76,1.0,0.5744637105064766,0.6739771091768899,0.4495922143787266,0.4224950311836063,0.5301320163114248
EOS-3-10936,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccn2)no1,FZKKEVBCILQBQK-UHFFFAOYSA-N,3,1,0.517,89,731,428.412,2.223,5,0.43,0.7,1.0,0.45501507778767736,0.18399184428757454,0.13121958741690082,0.0662137619080255,0.20911006785004457
EOS-3-10937,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4Cl)n23)cn1,KCTIYRYAAOQTDK-UHFFFAOYSA-N,3,1,0.565,37,386,444.886,3.622,5,0.391,0.74,1.0,0.8439020629154959,0.8915170310465356,0.4023541909396203,0.41293434308820504,0.6376769069974642
EOS-3-10938,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)cc5)n4)n23)cc1,CCZYHZDJHGROCK-UHFFFAOYSA-N,3,1,0.363,62,302,468.908,3.856,6,0.417,0.75,1.0,0.16704646700020562,0.3083578918511411,0.22235453361661298,0.3878760879994517,0.27140874511685287
EOS-3-10939,Cn1cc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5cnccn5)n34)c2)cn1,MWEHVVDTFMZDSQ-UHFFFAOYSA-N,3,1,0.231,86,953,433.439,2.501,6,0.412,0.7,0.998,0.027354190939620313,0.01016037283256802,0.15262833253375369,0.16274587074223837,0.0882221917620451
EOS-3-10940,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)ccc1F,YYSGMOXDMDDCFA-UHFFFAOYSA-N,3,1,0.512,26,795,450.865,3.396,5,0.391,0.71,1.0,0.8318569666232609,0.7407991227468987,0.4707439517510794,0.5038808169419505,0.6368202145157974
EOS-3-10941,Cn1ncnc1-c1cc(Cl)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,BMORJHKQXGGSFI-UHFFFAOYSA-N,3,1,0.359,74,295,471.912,3.194,6,0.418,0.73,1.0,0.19505174422589266,0.21638338701939552,0.11123295181961483,0.19520594887259268,0.17946850798437392
EOS-3-10942,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnn(C)c5)c4F)n23)nc1,HUDKYXLKAYUMBA-UHFFFAOYSA-N,3,1,0.378,85,647,460.448,2.815,5,0.433,0.64,1.0,0.1536049619628538,0.19261873757795903,0.5696919333835926,0.46672606401206224,0.3456604242341169
EOS-3-10943,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)nc1,IABLGZWXSQYGTO-UHFFFAOYSA-N,3,1,0.297,86,780,439.468,2.562,6,0.407,0.68,1.0,0.07856726749366047,0.10974230690151464,0.03825131930642177,0.058477828798574466,0.07125968062504284
EOS-3-10944,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nn1,XCNZWZXRCSHWTQ-UHFFFAOYSA-N,3,1,0.375,67,622,450.466,3.175,6,0.393,0.74,1.0,0.3548505928311973,0.25698204372558425,0.2120999246110616,0.1602100609965047,0.24603565554108697
EOS-3-10945,Cc1nc(-c2ccccc2-c2nnc3cncc(OCCc4ccccc4F)n23)n(C)n1,HMZZNCADEMHQML-UHFFFAOYSA-N,3,1,0.688,91,309,429.459,3.656,5,0.41,0.76,1.0,0.5947159207730793,0.5444366390240559,0.30574497978205745,0.329920841614694,0.44370459529847167
EOS-3-10946,CCn1c(-c2cnn(C)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,BAZPKOSHTAQFIQ-UHFFFAOYSA-N,3,1,0.305,8,608,449.482,2.927,6,0.394,0.73,1.0,0.03336817216092112,0.027988143376053733,0.035475635665821396,0.04621855938592283,0.03576262764717977
EOS-3-10947,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(Cl)c2)cn1,JUGVCAGYNKIRGE-UHFFFAOYSA-N,3,1,0.588,15,563,431.887,3.862,5,0.406,0.75,1.0,0.6255825508875335,0.7034815982454938,0.5565074360907408,0.5571585223768076,0.6106825269001439
EOS-3-10948,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)nn2)n1,XGWOJFXDEBLKCQ-UHFFFAOYSA-N,3,1,0.324,10,342,432.451,3.199,6,0.417,0.71,0.367,0.003358234528133781,0.005534233431567405,0.137404907134535,0.18452299362620794,0.08270509218011103
EOS-3-10949,Fc1ccc(-c2cccnn2)nc1-c1nnc2cncc(-c3ncnc(-c4ccccc4)n3)n12,XOYVYPSBSXVTAV-UHFFFAOYSA-N,3,1,0.298,30,541,448.425,3.301,6,0.4,0.71,0.854,0.2335857720512645,0.3618669042560482,0.1682458364745391,0.2421269960934823,0.2514563772188335
EOS-3-10950,Fc1cccc(-c2ncnc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)c1,VQSAZXZSMXOIBN-UHFFFAOYSA-N,3,1,0.438,45,704,421.798,4.242,5,0.433,0.81,1.0,0.4154444520594887,0.7583784524707011,0.7924576793914057,0.8852289082311013,0.7128773730381741
EOS-3-10951,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nn5)cn4)n23)cn1,DSYWECIJKGEHIT-UHFFFAOYSA-N,3,1,0.449,7,617,431.847,2.974,5,0.413,0.69,1.0,0.5633010074703585,0.6788602563223906,0.24035364265643205,0.23923994243026522,0.4304387122198616
EOS-3-10952,COc1cc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)ccc1-c1nc(C)no1,QOVGURAJORNBSR-UHFFFAOYSA-N,3,1,0.33,50,542,454.372,3.634,5,0.401,0.78,1.0,0.6823641285724077,0.5262233568638202,0.747395654855733,0.520526351860736,0.6191273730381742
EOS-3-10953,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cncnc5)n4)n23)cc1,PZDLNWAIMQVUQT-UHFFFAOYSA-N,3,1,0.542,89,731,470.468,2.764,5,0.386,0.77,1.0,0.5633095743951751,0.32341854567884315,0.3540367349736139,0.24213556301829894,0.3707251045164828
EOS-3-10954,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(C#N)c5)cn4)n23)cc1,GRFKWFYPIAQIEF-UHFFFAOYSA-N,3,1,0.31,38,787,456.473,3.582,6,0.394,0.74,1.0,0.15897642382290453,0.11283496676033171,0.4981067096155164,0.46349633335617846,0.30835360838873277
EOS-3-10955,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cn4)n23)cc1,UXIRIQNBCGZFNP-UHFFFAOYSA-N,3,1,0.346,9,737,448.465,4.455,6,0.396,0.81,1.0,0.1095881022548146,0.2521759989034336,0.6283582345281338,0.6710814885888562,0.41530095606880957
EOS-3-10956,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nc2)nn1,FDGJBHJGQIPNSO-UHFFFAOYSA-N,3,1,0.337,32,687,443.474,4.076,6,0.401,0.75,1.0,0.0743266397094099,0.07383832499485984,0.3315399904050442,0.32044582276745937,0.20003769446919334
EOS-3-10957,N#CCCNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(Cl)nc4)n23)cc1,MLRKWHYBVSYQHC-UHFFFAOYSA-N,3,1,0.398,0,334,431.887,3.268,4,0.355,0.81,1.0,0.222508738263313,0.21639195394421218,0.365045233363032,0.35535604139538074,0.2898254917414845
EOS-3-10958,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)c(F)c2)n1C,CQSYZYSDZFQYKI-UHFFFAOYSA-N,3,1,0.384,45,102,421.386,3.98,5,0.441,0.78,1.0,0.31883524090192583,0.5262319237886368,0.7775083955863203,0.8181841546158591,0.6101899287231856
EOS-3-10959,O=C(O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccnc(F)c5)cn4)n23)nc1,MDBNCEUREJEQGC-UHFFFAOYSA-N,3,1,0.333,85,81,427.399,3.071,5,0.425,0.7,1.0,0.27378178329106984,0.12945480090466727,0.4707525186758961,0.3878846549242684,0.3154684394489754
EOS-3-10960,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccn6)n5)n34)cc2)cc1,WHQUZJQQJXXMEQ-UHFFFAOYSA-N,3,1,0.352,93,689,417.436,3.496,6,0.433,0.85,1.0,0.026103419916386813,0.08427283942156123,0.1780378315399904,0.2986772668083065,0.14677283942156122
EOS-3-10961,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C)n5)cc(C)n4)n23)nc1,FLCUORRDSLUDBA-UHFFFAOYSA-N,3,1,0.266,33,432,440.471,2.102,5,0.44,0.63,0.993,0.08733979850592831,0.014435268316085258,0.05282365841957371,0.01845315605510246,0.04326297032417243
EOS-3-10962,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)nc4)n23)cn1,VNIGFRMYIVMJDB-UHFFFAOYSA-N,3,1,0.293,70,968,438.48,3.167,6,0.412,0.69,1.0,0.10219484613803029,0.14384723459666918,0.0864402714001782,0.12230141868274964,0.11369594270440682
EOS-3-10963,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)nn5C)n34)cn2)n1,XDFJBKYXYSFSDA-UHFFFAOYSA-N,3,1,0.33,30,945,445.49,4.019,6,0.404,0.76,0.994,0.057621136316907684,0.09369645671989582,0.13417517647865124,0.15466726064012062,0.11004000753889384
EOS-3-10964,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nc2)n1C,DPMAIKHHHTWCDI-UHFFFAOYSA-N,3,1,0.308,94,515,445.49,4.019,6,0.404,0.76,0.972,0.1258309917072168,0.06660784044959221,0.2803354807758207,0.27467274347200327,0.18686176410115823
EOS-3-10965,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COCCCc4ccc(F)cc4F)n23)cc1,XJVDVHKLKBTKCC-UHFFFAOYSA-N,3,1,0.437,0,862,463.488,4.111,5,0.378,0.88,1.0,0.40428174902337055,0.27260811459118633,0.46736858337331233,0.5571670893016243,0.42535638407237336
EOS-3-10966,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5nncn5C)cn4)n23)cc1,DGGLUSCFZJFSNA-UHFFFAOYSA-N,3,1,0.329,98,42,435.455,2.444,6,0.414,0.66,1.0,0.12033959289973271,0.06275272428209171,0.0912805839215955,0.09373929134397917,0.09202804811184978
EOS-3-10967,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)c1,FEGYVKVQUUGNQJ-UHFFFAOYSA-N,3,1,0.433,46,544,433.422,3.752,5,0.42,0.74,1.0,0.38028579261188405,0.3426255911178123,0.7372438489479817,0.6769840997875403,0.5342848331163046
EOS-3-10968,Cc1nc(-c2ccncc2)ccc1-c1nnc2cncc(-c3ccc(C(=O)N4CCOCC4)cc3)n12,RXHJJGXVSNKVLF-UHFFFAOYSA-N,3,1,0.431,52,376,477.528,3.696,6,0.389,0.84,1.0,0.026111986841203482,0.0017219518881502296,0.02716571859365362,0.06801281611952574,0.03075311836063327
EOS-3-10969,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(F)c1,GHIXBIOPYYZZCE-UHFFFAOYSA-N,3,1,0.54,26,161,433.422,3.487,5,0.408,0.72,1.0,0.8393530258378452,0.6935782331574258,0.7705177849359194,0.7269035706942636,0.7575881536563634
EOS-3-10970,Fc1cnc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)c2)cn1,XYEPFHYGFDKJPC-UHFFFAOYSA-N,3,1,0.316,32,687,447.437,3.906,6,0.4,0.73,1.0,0.2199215269686793,0.3135237475155918,0.49135597285998217,0.4970187101637996,0.3804549893770133
EOS-3-10971,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cc2)nn1,BBTUIQPCTJAZFX-UHFFFAOYSA-N,3,1,0.337,98,973,421.428,2.23,6,0.425,0.76,1.0,0.01286752107463505,0.04029024741278871,0.06441470769652526,0.08981563977794531,0.05184702899047358
EOS-3-10972,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)nc1,HMLPTMUMJLMUND-UHFFFAOYSA-N,3,1,0.257,10,952,421.428,2.23,6,0.425,0.76,0.988,0.002741415941333699,0.01740799122746899,0.056567404564457545,0.07161092454252621,0.03708193406894661
EOS-3-10973,Cc1ncc(-c2cnnc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)cn1,YCAIYDKGYLEPDE-UHFFFAOYSA-N,3,1,0.356,85,290,424.428,1.431,5,0.442,0.66,1.0,0.0947673223219793,0.03688917826057159,0.06640223425399219,0.03736035912548832,0.058854773490507856
EOS-3-10974,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)ccc1Cl,KHLOVVUUGSZFEF-UHFFFAOYSA-N,3,1,0.517,73,391,434.822,3.41,5,0.414,0.7,1.0,0.7723768076211364,0.9300681927215406,0.5919145363580289,0.6480450277568364,0.7356011411143857
EOS-3-10975,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)c1,WREISCMNGDVATA-UHFFFAOYSA-N,3,1,0.326,3,289,425.387,3.228,6,0.423,0.74,1.0,0.08282502912754437,0.19262730450277568,0.36138715646631486,0.422503598108423,0.2648357720512645
EOS-3-10977,COc1cc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCc3ccc(F)c(C#N)n3)n12,IERRKVBVUZRWID-UHFFFAOYSA-N,3,1,0.442,4,702,456.441,3.185,5,0.383,0.77,1.0,0.49371187718456583,0.5398104996230553,0.6686142142416558,0.49391748338016583,0.5490135186073607
EOS-3-10978,OCc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cn1,WJFZTPJMQCHANN-UHFFFAOYSA-N,3,1,0.467,13,145,432.39,3.811,5,0.451,0.73,1.0,0.7461277499828661,0.7083390446165444,0.8496933040915633,0.8221506408059763,0.7815776848742376
EOS-3-10979,Fc1cc(-c2nnc3cncc(OCCc4ccnc(C(F)(F)F)c4)n23)ccc1Cl,NBCNFTLUKNRYCA-UHFFFAOYSA-N,3,1,0.73,90,240,437.784,4.619,4,0.426,0.77,1.0,0.9926495785072991,0.9918100198752656,0.9925896100335824,0.9846652045781646,0.990428603248578
EOS-3-10980,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2C)n1,CGMWWWVPFZHOMY-UHFFFAOYSA-N,3,1,0.438,36,926,471.485,1.186,6,0.37,0.81,0.998,0.24194709067233225,0.0905095606880954,0.006536563635117538,0.004531903228017271,0.08588127955589063
EOS-3-10981,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)nn1,JXWAGUPXUBCUSW-UHFFFAOYSA-N,3,1,0.54,4,506,430.859,3.579,5,0.416,0.69,1.0,0.547400795010623,0.6066496470426975,0.402362757864437,0.4192653005277226,0.49391962511137
EOS-3-10982,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4-c4cn(C)nn4)n23)cc1,MBYWEPNAOUDNSL-UHFFFAOYSA-N,3,1,0.545,89,398,458.457,2.665,5,0.416,0.71,1.0,0.5551195942704407,0.4277465560962237,0.4390034953053252,0.31441470769652524,0.4340710883421287
EOS-3-10983,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cc2)n1C,FVQZZAZZOTXARU-UHFFFAOYSA-N,3,1,0.308,98,373,449.482,2.753,6,0.403,0.68,1.0,0.1781149338633404,0.09679768350352957,0.10078987046809677,0.0917860324857789,0.11687213008018643
EOS-3-10984,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)nc2)n(C)n1,PHPUEUHZJWKSFQ-UHFFFAOYSA-N,3,1,0.264,25,866,449.482,2.753,6,0.403,0.68,1.0,0.026120553766020148,0.040298814337605376,0.09572681790144609,0.09374785826879584,0.06397351106846687
EOS-3-10985,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cc2)cn1,JFGOFSPOMJQZLB-UHFFFAOYSA-N,3,1,0.333,9,98,445.49,4.019,6,0.404,0.74,1.0,0.06294119662805839,0.04030738126242204,0.38415804262901787,0.3395843328078953,0.2067477383318484
EOS-3-10986,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(Cl)cn5)nc4)n23)cn1,RYUSDWSRRZTPAV-UHFFFAOYSA-N,3,1,0.407,85,260,444.846,1.776,5,0.427,0.62,0.965,0.17812350078815709,0.19723631005414297,0.04913988074840655,0.057072853128640945,0.1203931361798369
EOS-3-10987,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCCO)cn4)n23)cn1,WYAMMYZUUOEUCB-UHFFFAOYSA-N,3,1,0.33,63,66,418.417,0.33,4,0.406,0.85,1.0,0.1866390240559249,0.047477897333973,0.03960489342745528,0.009140908779384551,0.07071568089918444
EOS-3-10988,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)c(F)c4)n23)c1,MRFIRJLIZFOOHJ-UHFFFAOYSA-N,3,1,0.679,91,70,431.406,3.543,5,0.406,0.74,1.0,0.9520166541018436,0.9300767596463574,0.794565142896306,0.7989257076279899,0.8688960660681242
EOS-3-10989,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cc1,XNILAMDSXFNAGE-UHFFFAOYSA-N,3,1,0.522,7,408,443.402,1.855,5,0.415,0.65,1.0,0.6117041326845316,0.3083664587759578,0.17804639846480708,0.12874374614488382,0.30671518401754505
EOS-3-10990,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)cn1,BHRACZDCOAUXBN-UHFFFAOYSA-N,3,1,0.293,64,365,431.463,3.711,6,0.419,0.72,1.0,0.12034815982454938,0.023276334726886436,0.2546261394010006,0.29249194709067233,0.17268564526077718
EOS-3-10991,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)ccn2)cn1,TXEFCVKNVORWDD-UHFFFAOYSA-N,3,1,0.304,42,608,431.463,3.711,6,0.419,0.72,1.0,0.06121067781509149,0.04748646425878966,0.44248166678089235,0.3912000548283188,0.23559471592077308
EOS-3-10993,CCn1cc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c(-c2cc(F)ccn2)n1,JZSVJKBWHXGUML-UHFFFAOYSA-N,3,1,0.356,82,974,429.419,2.37,5,0.454,0.63,0.998,0.09477588924679597,0.20654855732986088,0.10601569460626413,0.10610136385443081,0.12836037625933794
EOS-3-10994,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cn(C)nc5C)ccc4Cl)n23)cn1,UXCOVZYPVVWCIV-UHFFFAOYSA-N,3,1,0.396,14,81,429.915,4.448,5,0.422,0.82,1.0,0.18382050579124118,0.26233637173600166,0.6197484750873826,0.5826451237063943,0.4121376190802549
EOS-3-10995,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(C5(O)CCC5)n4)n23)nc1,IWADYDJFHLIGNE-UHFFFAOYSA-N,3,1,0.418,63,108,457.494,2.424,6,0.433,0.76,0.966,0.29304023027893905,0.17563052566650675,0.014024055924885204,0.044864985264889315,0.1318899492838051
EOS-3-10996,Cc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12,NENOABJCWOKLON-UHFFFAOYSA-N,3,1,0.455,50,243,434.385,4.033,5,0.423,0.72,1.0,0.38935816599273526,0.4455743266397094,0.9376156534850251,0.8613957233911316,0.6584859673771504
EOS-3-10997,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)n5)nn4)n23)cc1,RNHNGQJXTLWVDL-UHFFFAOYSA-N,3,1,0.505,89,731,459.857,2.37,5,0.378,0.71,1.0,0.5319203618669043,0.40948187238708794,0.1587194160784045,0.157520046604071,0.3144104242341169
EOS-3-10998,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)c4)n23)cc1Cl,PPOXOLHQVDKZIU-UHFFFAOYSA-N,3,1,0.5,43,250,474.912,3.179,5,0.402,0.81,1.0,0.6061013638544308,0.4808100884106641,0.39880748406551986,0.33959289973271195,0.4563279590158317
EOS-3-10999,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)cn5)nc4)n23)cn1,OROPFGMLSPWWJZ-UHFFFAOYSA-N,3,1,0.495,55,283,459.857,2.37,5,0.404,0.69,1.0,0.5917174970872455,0.4763724213556302,0.21210849153587827,0.17905729559317388,0.36481392639298194
EOS-3-11000,N#Cc1ncc(Oc2ccccc2)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,ULORZJQRIXNNOO-UHFFFAOYSA-N,3,1,0.327,62,302,474.484,3.804,6,0.393,0.87,1.0,0.32900418065931053,0.23668699883489822,0.20847611541361113,0.24490267973408264,0.25476749366047563
EOS-3-11001,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nn1,NHKZSHWMMSDKMJ-UHFFFAOYSA-N,3,1,0.299,10,705,435.426,3.635,6,0.417,0.69,1.0,0.009166609553834556,0.15152319923240354,0.505105887190734,0.5762199300938935,0.3105039065177164
EOS-3-11002,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)nc1,ZEPCUJBQSUPPAO-UHFFFAOYSA-N,3,1,0.518,15,482,444.886,3.622,5,0.391,0.71,1.0,0.8770560619560003,0.8886556781577685,0.2653005277225687,0.2777654033308204,0.5771944177917895
EOS-3-11003,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cn2)nn1,FHARZISVBQCQPP-UHFFFAOYSA-N,3,1,0.316,70,443,445.45,2.866,6,0.399,0.68,1.0,0.08734836543074498,0.07015454732369268,0.1088170790213145,0.12230998560756631,0.09715749434582963
EOS-3-11004,Cc1cc(-c2ncc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)ccn1,RMOZBAPIPGUADU-UHFFFAOYSA-N,3,1,0.465,51,48,431.847,2.974,5,0.413,0.7,1.0,0.5633181413199918,0.5587348365430745,0.18446302515249127,0.1845315605510246,0.3727618908916456
EOS-3-11006,Cc1ncc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)nc1F,BRAKJJKQXQMHTD-UHFFFAOYSA-N,3,1,0.298,50,432,428.391,1.647,5,0.45,0.63,0.606,0.1370279624426016,0.12602803097800014,0.1172812007401823,0.09179459941059558,0.11803294839284491
EOS-3-11007,N#Cc1cc(Oc2cncc3nnc(-c4cnc(-c5cccnc5)cn4)n23)cnc1Cl,KPEXSWDOUPCWRA-UHFFFAOYSA-N,3,1,0.362,7,85,427.815,3.356,5,0.396,0.79,1.0,0.7034473305462271,0.6986669864985265,0.5530978000137071,0.5762284970187102,0.6328601535192927
EOS-3-11008,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nc2)cn1,WLTBYESAFOZQID-UHFFFAOYSA-N,3,1,0.341,94,714,449.453,3.85,6,0.403,0.75,1.0,0.17813206771297374,0.2828455897471044,0.5792183537797272,0.5918460009594956,0.4080105030498252
EOS-3-11009,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(C#N)c5)cn4)n23)cn1,VQZHZVZFHBCARD-UHFFFAOYSA-N,3,1,0.484,89,205,420.436,3.402,5,0.425,0.8,1.0,0.6255911178123501,0.6209735453361661,0.5565160030155575,0.48184668631348093,0.5712318381193886
EOS-3-11010,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nccnn5)c4)n23)cn1,IGJUFGGTPHJORN-UHFFFAOYSA-N,3,1,0.432,92,85,440.427,1.372,5,0.411,0.68,1.0,0.5137927489548352,0.22692070454389693,0.06641080117880885,0.030995133986704133,0.20952984716606127
EOS-3-11011,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)ccn2)nn1,MQXOYKHPBFQOBU-UHFFFAOYSA-N,3,1,0.289,98,890,435.455,2.444,6,0.414,0.68,1.0,0.030823795490370776,0.023284901651703105,0.13741347405935164,0.13522890823110137,0.08168776985813173
EOS-3-11012,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncnn5C)n4)n23)nc1,VWQLNWSQLKLUNR-UHFFFAOYSA-N,3,1,0.27,76,813,435.455,2.444,6,0.414,0.68,0.998,0.027362757864436982,0.017416558152285655,0.0792783222534439,0.07161949146734288,0.048919282434377355
EOS-3-11013,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)cc2)n1,JJNZCXMXZSUIQC-UHFFFAOYSA-N,3,1,0.289,98,866,435.455,2.444,6,0.414,0.68,1.0,0.06850969775889247,0.05501679117264067,0.11413713933246522,0.11056473168391474,0.08705708998697828
EOS-3-11014,Fc1ccc(-c2cccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)nn1,GBQIODYASOHFBO-UHFFFAOYSA-N,3,1,0.393,14,476,433.397,4.311,5,0.411,0.77,0.884,0.3893667329175519,0.4990747721197999,0.882324720718251,0.8545336166129806,0.6563249605921458
EOS-3-11015,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1-c1nn[nH]n1,MQPZLPGQYUDFPR-UHFFFAOYSA-N,3,1,0.529,27,6,439.361,3.022,5,0.429,0.74,1.0,0.795027756836406,0.8084949626482077,0.7843448015900213,0.7190391337125626,0.7767266636967993
EOS-3-11016,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ncn2)cn1,DQCNKWBNCVLNTK-UHFFFAOYSA-N,3,1,0.56,44,488,431.406,3.809,5,0.418,0.75,0.996,0.8460009594955795,0.6788688232472072,0.8031663354122405,0.7482352134877664,0.7690678329106984
EOS-3-11017,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cn4)n23)cc1,DLRGZVCSCOFMOB-UHFFFAOYSA-N,3,1,0.571,15,320,423.44,2.475,5,0.408,0.74,1.0,0.7034558974710438,0.5398190665478719,0.30217257213350696,0.25977486121581794,0.45130559934206016
EOS-3-11018,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cc4F)n23)c(F)c1,HEJVPYWVTSOKAE-UHFFFAOYSA-N,3,1,0.506,43,433,441.401,3.977,5,0.407,0.76,1.0,0.9388492906586252,0.9362963470632581,0.9327325063395243,0.9234716606127065,0.9328374511685286
EOS-3-11019,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)ncn2)cn1,POMWYDRKQRZYED-UHFFFAOYSA-N,3,1,0.392,33,53,440.427,1.42,5,0.409,0.67,1.0,0.36867760948529915,0.11567061887464876,0.06844972928517579,0.029187512850387225,0.14549636762387771
EOS-3-11020,Cn1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)n1,WNZUVUPRJHWUQQ-UHFFFAOYSA-N,3,1,0.541,4,391,436.838,3.353,5,0.417,0.72,0.999,0.6487218148173531,0.8085035295730245,0.5395277911041053,0.5667449112466589,0.6408745116852855
EOS-3-11021,Cc1ncc(-c2ncsc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,OIBNEZVRNHBTDA-UHFFFAOYSA-N,3,1,0.282,33,739,455.507,2.967,6,0.429,0.71,1.0,0.03337673908573778,0.05891474196422452,0.0210232335001028,0.028287985744637104,0.035400675073675544
EOS-3-11022,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)cc1,JJKOMIDBIZVUGE-UHFFFAOYSA-N,3,1,0.284,10,957,435.426,3.635,6,0.417,0.7,0.999,0.01117983688575149,0.1260365979028168,0.4845795353299979,0.5536632170516071,0.29386479679254335
EOS-3-11023,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1,WWGKXTAWSANIRL-UHFFFAOYSA-N,3,1,0.615,43,402,434.41,3.498,5,0.404,0.75,1.0,0.7189705983140292,0.5306438900692207,0.6987440888218766,0.662446028373655,0.6527011513946954
EOS-3-11024,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)nn5C)ccn4)n23)cc1F,RLOUHNPAYWPPNC-UHFFFAOYSA-N,3,1,0.5,89,788,472.484,2.973,5,0.404,0.78,1.0,0.42483380165855666,0.347560139812213,0.3841666095538346,0.2303903090946474,0.3467377150298129
EOS-3-11025,OCc1ccc(-c2nnc3cncc(OCc4cc(Br)ccc4Cl)n23)cc1F,BJVVEOJFCIOOPE-UHFFFAOYSA-N,3,1,0.605,23,17,463.694,4.418,4,0.474,0.73,1.0,0.980090466726064,0.9727229113837297,0.9722431635939963,0.9738109108354465,0.9747168631348091
EOS-3-11026,Cc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cc5)n34)nc2)n1,ISJILZLXGJJUEZ-UHFFFAOYSA-N,3,1,0.297,42,167,446.478,3.414,6,0.405,0.71,1.0,0.1151823041600987,0.036897745185388256,0.25813857857583444,0.22425639092591323,0.15861875471180867
EOS-3-11027,Cc1nc(-c2nccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)ncc1F,VLBQBBRKGLKJEO-UHFFFAOYSA-N,3,1,0.527,89,731,457.429,2.164,5,0.405,0.68,1.0,0.6765471866218902,0.34756870673702966,0.1230039065177164,0.07567164690562675,0.30569786169556573
EOS-3-11028,Cc1nnc(-c2ncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)o2)n1C,NXOXFQLIOVHBBE-UHFFFAOYSA-N,3,1,0.511,89,512,471.481,2.354,6,0.379,0.78,0.993,0.30345761085600714,0.10654684394489754,0.009312247275717908,0.007264752244534302,0.10664536358028923
EOS-3-11029,OCc1ncc(-c2cnnc(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)cc1F,BWIQEUZBWUNVFD-UHFFFAOYSA-N,3,1,0.344,45,102,435.369,3.22,5,0.462,0.64,1.0,0.452676307312727,0.5829535329997944,0.8902319923240354,0.8988503186896032,0.70617803783154
EOS-3-11030,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cnc5C)cc4F)n23)cc1,OVRGLDJLBLEKLT-UHFFFAOYSA-N,3,1,0.417,62,451,469.48,4.156,5,0.412,0.8,1.0,0.7189791652388459,0.49428586114728257,0.4946285381399493,0.32346994722774314,0.5078408779384552
EOS-3-11031,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nn1,MVZFMUZFQNWHFL-UHFFFAOYSA-N,3,1,0.523,15,132,430.859,3.313,5,0.404,0.69,1.0,0.8508841066410802,0.8806027688301008,0.34233431567404565,0.38789322184908503,0.6154286032485778
EOS-3-11032,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)nc1,XNMNFGZTHMPGTK-UHFFFAOYSA-N,3,1,0.484,18,949,430.859,3.313,5,0.404,0.69,1.0,0.685473922280858,0.6445925570557193,0.28404495922143785,0.3204543896922761,0.4836414570625728
EOS-3-11033,COc1cc(-c2cnc(C)n2C)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3C)n12,VFWRIYCADVHXCA-UHFFFAOYSA-N,3,1,0.33,62,697,453.506,3.583,5,0.435,0.72,0.995,0.27923034747447056,0.0842814063463779,0.3988160509903365,0.20093722157494345,0.2408162565965321
EOS-3-11034,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4F)n23)nc1,UUCBYXVXQQFFMS-UHFFFAOYSA-N,3,1,0.317,98,42,452.457,3.188,6,0.405,0.69,1.0,0.219930093893496,0.29351997806867247,0.3057535467068741,0.2986858337331232,0.27947236310054147
EOS-3-11035,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC(F)F)cn4)n23)cn1,KKGPDMRABWXAJH-UHFFFAOYSA-N,3,1,0.282,33,432,462.424,2.039,5,0.406,0.68,0.708,0.20612877801384416,0.14025769309848538,0.2187821259680625,0.15752861352888767,0.18067430265231996
EOS-3-11036,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)nc1,HUQKGDOGMPHIFB-UHFFFAOYSA-N,3,1,0.367,67,622,454.429,3.303,6,0.421,0.71,1.0,0.5347474470564046,0.5306524569940374,0.40237132478925364,0.37507710232335,0.46071208279076137
EOS-3-11037,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)c(F)c2)nn1,QLYHIPSOABGMDM-UHFFFAOYSA-N,3,1,0.422,13,374,434.822,3.932,5,0.392,0.78,1.0,0.7751953258858201,0.8241810019875265,0.6197570420121993,0.639443835240902,0.7146443012816119
EOS-3-11039,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)n1C,ZMWMLIQQWFJRNB-UHFFFAOYSA-N,3,1,0.269,98,369,448.494,3.358,6,0.407,0.71,1.0,0.08283359605236104,0.04749503118360633,0.19093105338907546,0.15208004934548694,0.11833493249263244
EOS-3-11041,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cn1,KPFFFMZGOWTYJY-UHFFFAOYSA-N,3,1,0.495,87,304,434.41,2.882,5,0.405,0.69,1.0,0.7003718045370434,0.572339113151943,0.4913645397847988,0.4572510451648276,0.5553316256596532
EOS-3-11042,COc1ncncc1-c1cncc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,DGUDIEYBTBHYGF-UHFFFAOYSA-N,3,1,0.518,65,657,426.44,2.668,5,0.387,0.8,1.0,0.4408625179905421,0.2521845658282503,0.3169847851415256,0.20416695223082723,0.3035497052977863
EOS-3-11043,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6ccnc6)cc5)n34)nc2)cc1,NWZMHHVESKYOBX-UHFFFAOYSA-N,3,1,0.314,69,174,440.47,4.578,6,0.398,0.83,1.0,0.022882256185319718,0.02111746967308615,0.8317627304502776,0.8280960866287438,0.42596463573435683
EOS-3-11044,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5nncnn5)ccc4Cl)n23)cc1,AJJRNHMGNZYLAW-UHFFFAOYSA-N,3,1,0.658,43,258,451.277,3.924,5,0.396,0.73,1.0,0.9551607155095607,0.967300047974779,0.7219690219998629,0.8241296004386266,0.8671398464807073
EOS-3-11045,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)cc1,XSJULVXGVGGXAF-UHFFFAOYSA-N,3,1,0.437,44,488,451.277,3.924,5,0.396,0.73,0.999,0.5828764306764443,0.6351775066822014,0.4811356315536975,0.6131947776026317,0.5780960866287437
EOS-3-11046,COc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3cccnc3-c3ncc(F)cn3)n12,CVBJLYAWNIBTET-UHFFFAOYSA-N,3,1,0.302,42,856,467.428,2.638,6,0.401,0.7,1.0,0.42722397368240694,0.3857172229456514,0.2084846823384278,0.2041755191556439,0.3064003495305325
EOS-3-11047,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)nc2)cn1C,BQLCOKNVGVDCHN-UHFFFAOYSA-N,3,1,0.38,52,229,480.532,3.035,6,0.389,0.87,1.0,0.018744431498869167,0.0019361250085669249,0.010717222945651429,0.01846172297991913,0.012464875608251661
EOS-3-11048,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)nc1,HGMGMWHWRVBKDZ-UHFFFAOYSA-N,3,1,0.305,50,274,428.387,2.631,5,0.398,0.77,0.848,0.28476458090603796,0.272616681516003,0.29129257761633887,0.21310225481461176,0.2654440237132479
EOS-3-11049,CCOC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5)nc(C)n4)n23)cc1,KIJQZVCLQZXJJX-UHFFFAOYSA-N,3,1,0.307,74,139,437.463,3.795,5,0.382,0.81,1.0,0.18382907271605783,0.1065554108697142,0.2725481461174697,0.17061887464875608,0.18338787608799945
EOS-3-11050,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)c(F)c1,RCSKLNRMDZSSDY-UHFFFAOYSA-N,3,1,0.346,25,508,468.431,3.384,6,0.387,0.75,1.0,0.27625762456308683,0.332602289082311,0.4567198958261942,0.5103317113289014,0.39397788020012336
EOS-3-11051,Cc1cnc(-c2cccc(-c3nnc4cncc(COc5ccnc(Cl)n5)n34)c2)cn1,LTLFOQIPMHDUCJ-UHFFFAOYSA-N,3,1,0.356,85,351,430.859,3.579,5,0.39,0.77,1.0,0.4641816873415119,0.4942944280720992,0.3727897333972997,0.32992940853951064,0.41529881433760535
EOS-3-11052,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)n2)cc1,VXKIHDZVEAAVSR-UHFFFAOYSA-N,3,1,0.367,3,635,453.416,3.774,6,0.401,0.71,1.0,0.06460318004249195,0.20655712425467754,0.5428945925570557,0.6068809540127476,0.3552339627167432
EOS-3-11053,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5)ncn4)n23)cc1,CYOLSMGPPHUVCQ-UHFFFAOYSA-N,3,1,0.308,74,139,452.453,3.5,6,0.406,0.74,1.0,0.17511651017750668,0.12604516482763348,0.2913011445411555,0.352434720032897,0.23622438489479816
EOS-3-11054,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(F)c5)c4)n23)cc1,YJGJPOCYTMYSFH-UHFFFAOYSA-N,3,1,0.562,1,230,458.428,3.809,5,0.388,0.78,1.0,0.9050527722568706,0.40487286683572066,0.8745288191350833,0.8118960318004249,0.7490876225070249
EOS-3-11055,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc[nH]5)cc4)n23)nc1,QUFJCZQXZQTLTI-UHFFFAOYSA-N,3,1,0.24,98,369,420.44,3.039,6,0.466,0.75,0.996,0.040461585909122064,0.02112603659790282,0.22236310054142966,0.24214412994311563,0.13152371324789253
EOS-3-11056,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)nn4)n23)cc1,TXCWYLOOFHUBNF-UHFFFAOYSA-N,3,1,0.424,62,574,411.4,3.153,5,0.486,0.89,1.0,0.14491810019875265,0.19263587142759236,0.5662908642313755,0.5601569460626413,0.3660004454800905
EOS-3-11057,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cn2)no1,HVHLVKDHYRNADV-UHFFFAOYSA-N,3,1,0.325,86,790,434.423,3.064,6,0.407,0.73,1.0,0.13952093756425193,0.14751387841820301,0.12559111781235008,0.12231855253238298,0.133736121581797
EOS-3-11058,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)cc1,TZUIQPNXLAKQAK-UHFFFAOYSA-N,3,1,0.324,30,298,434.438,4.24,6,0.413,0.78,1.0,0.015240559248852032,0.14752244534301967,0.6107446371050648,0.6943578233157426,0.36696636625316975
EOS-3-11059,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4ncnn4C)nn3)n12,SEYDTEUOPOMZLA-UHFFFAOYSA-N,3,1,0.316,52,295,468.481,1.945,6,0.396,0.76,0.964,0.13174216983071757,0.05106743883215681,0.02186279213213625,0.019061407717085876,0.05593345212802412
EOS-3-11060,COc1cccc(-c2nsc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)c1,VEYMNKASWPDNPJ-UHFFFAOYSA-N,3,1,0.345,52,302,469.53,3.878,6,0.402,0.82,1.0,0.2392742101295319,0.14385580152148586,0.09337091357686245,0.11057329860873141,0.14676855595915292
EOS-3-11061,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)cc1,WAZRQROXKUWYTN-UHFFFAOYSA-N,3,1,0.354,25,508,449.453,3.85,6,0.377,0.78,1.0,0.19506031115070935,0.3280875197039271,0.5464327325063395,0.6006013981221301,0.4175454903707765
EOS-3-11062,FC(F)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnc5)n4)n23)cc1,CIJRNEBRWIVMIK-UHFFFAOYSA-N,3,1,0.488,97,676,431.406,4.16,5,0.399,0.78,1.0,0.8244808443561099,0.7623963402097184,0.7924662463162223,0.7351877869919814,0.778632804468508
EOS-3-11063,Fc1cc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)ccc1Cl,ZITMOTFVXZUGEI-UHFFFAOYSA-N,3,1,0.622,68,900,424.745,3.972,4,0.461,0.71,1.0,0.979473648139264,0.9816239462682476,0.9743506270988965,0.9487954903707765,0.9710609279692961
EOS-3-11064,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nn2)c1,JDYLZAGWFOFTTG-UHFFFAOYSA-N,3,1,0.314,10,37,442.446,3.368,6,0.407,0.69,1.0,0.01052018367486807,0.0279967103008704,0.442490233705709,0.48494791309711466,0.24148876019464055
EOS-3-11065,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)nc1,JLTNBCCHIDIWNT-UHFFFAOYSA-N,3,1,0.26,94,165,433.439,2.501,6,0.412,0.68,0.954,0.05942875745322459,0.03401925844698787,0.15872798300322116,0.16021862792132135,0.10309865670618874
EOS-3-11066,CCn1nc(-c2ccc(C)nn2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cn3)n12,KIHSHAKPMCEKEG-UHFFFAOYSA-N,3,1,0.291,33,432,441.459,1.59,5,0.43,0.62,0.347,0.04480501679117264,0.02800527722568707,0.004600438626550614,0.0011565348502501542,0.019641816873415117
EOS-3-11067,Fc1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cc1,HKBPDUVNKTVHNV-UHFFFAOYSA-N,3,1,0.419,3,867,437.398,3.499,6,0.408,0.72,1.0,0.31126207936399153,0.3810996504694675,0.4093276677403879,0.4908505242957988,0.3981349804674114
EOS-3-11068,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnn(C)c6)c5)n34)cn2)cc1F,QZCOAKNPVGOYJJ-UHFFFAOYSA-N,3,1,0.284,42,151,451.469,3.887,6,0.404,0.71,1.0,0.009860530463984649,0.1555239531217874,0.6406089370159688,0.5918545678843122,0.34946199712151327
EOS-3-11069,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5nc(F)n(C)n5)cc4F)n23)cn1,ONPOXFXPSOSWAV-UHFFFAOYSA-N,3,1,0.392,85,290,462.424,1.605,5,0.417,0.66,1.0,0.18110479062435747,0.2623449386608183,0.07507196216846002,0.05410869714207388,0.14315759714892742
EOS-3-11070,c1cncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cc5)n34)cn2)c1,FIHSWBQTZBPQBE-UHFFFAOYSA-N,3,1,0.324,42,174,428.459,4.372,6,0.411,0.81,1.0,0.1563720786786375,0.14026626002330203,0.5628126927558084,0.5918631348091289,0.3628285415667192
EOS-3-11071,c1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)nn5)n34)nc2)ccn1,GYUHUTGQVDBRKQ-UHFFFAOYSA-N,3,1,0.269,86,165,431.423,2.557,6,0.41,0.69,0.984,0.06461174696730862,0.07016311424850935,0.17143273250633953,0.21597217462819546,0.13054494208758824
EOS-3-11072,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)c1,QKMKKGQTQZZROB-UHFFFAOYSA-N,3,1,0.337,3,973,452.869,3.544,6,0.399,0.72,1.0,0.043340072647522446,0.20656569117949422,0.28778870536632173,0.43199575080529096,0.24242255499965734
EOS-3-11073,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)cn1,JCUUICDSDLPDLL-UHFFFAOYSA-N,3,1,0.311,64,365,431.463,3.711,6,0.419,0.73,1.0,0.06851826468370914,0.03690631211020492,0.23334589815639778,0.2688043999725858,0.15189371873072444
EOS-3-11074,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cc1,BADDNNNLSXBSQP-UHFFFAOYSA-N,3,1,0.353,9,98,430.475,4.316,6,0.414,0.8,1.0,0.08284216297717771,0.047503598108423,0.5662994311561922,0.5731015694606264,0.31743669042560485
EOS-3-11075,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cc2)c1,KBTDYESYEARPSI-UHFFFAOYSA-N,3,1,0.308,98,151,421.428,2.23,6,0.425,0.73,1.0,0.0016534164896168872,0.01587451168528545,0.22237166746624631,0.21598074155301214,0.11397008429854019
EOS-3-11076,Cc1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nn2)n1C,NKJPYDVFMUJMGZ-UHFFFAOYSA-N,3,1,0.479,89,926,441.455,1.968,5,0.422,0.66,1.0,0.43850661366595844,0.19264443835240902,0.10079843739291344,0.04230347474470564,0.1935632410389966
EOS-3-11077,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)c(F)c1,OJSXLVYOIKJBGQ-UHFFFAOYSA-N,3,1,0.321,98,765,453.445,2.583,6,0.4,0.67,1.0,0.19793023096429305,0.31868960318004247,0.19093962031389214,0.209923925707628,0.2293708450414639
EOS-3-11078,Cn1cc(-n2cnc(COc3cncc4nnc(-c5ccc(F)cc5Cl)n34)n2)cn1,PFEPPPGJHXJGJZ-UHFFFAOYSA-N,3,1,0.5,36,446,425.815,2.477,5,0.426,0.75,1.0,0.2957388115961894,0.46330786101021176,0.3315485573298609,0.40315091494757044,0.3734365362209581
EOS-3-11079,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5nnnn5C)nc4)n23)ccc1Cl,GFXXWIBINANPPQ-UHFFFAOYSA-N,3,1,0.524,36,728,434.851,2.313,5,0.41,0.71,1.0,0.4864299910903982,0.6396408745116853,0.08414433554931122,0.13091974504831747,0.33528373654992805
EOS-3-11080,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccc(C#N)cn5)c4)n23)nn1,XEUVPCNFUABZGT-UHFFFAOYSA-N,3,1,0.435,54,348,438.426,3.542,5,0.409,0.71,1.0,0.6854824892056748,0.6209821122609828,0.6851055445137414,0.6564663148516209,0.6620091152080049
EOS-3-11081,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)nc4)n23)cc1,IICQRDKLYPOKLT-UHFFFAOYSA-N,3,1,0.31,25,213,450.441,3.245,6,0.376,0.73,1.0,0.18664759098074155,0.2726252484408197,0.3423428825988623,0.3912086217531355,0.29820608594338976
EOS-3-11083,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)nc1,HETVKDSUBIXDKJ-UHFFFAOYSA-N,3,1,0.263,70,652,432.451,3.106,6,0.418,0.68,0.999,0.09714892742101296,0.04031594818723871,0.2153467891165787,0.2131108217394284,0.1414806216160647
EOS-3-11084,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,MRRJNWFWBAVUNF-UHFFFAOYSA-N,3,1,0.581,15,638,428.456,2.612,5,0.39,0.75,1.0,0.2444657665684326,0.08428997327119457,0.2690014392433692,0.16798882873003906,0.19143650195325887
EOS-3-11085,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ocnc4-c4cccc(F)c4)n23)cc1,GTOMJUZCQBPHIW-UHFFFAOYSA-N,3,1,0.385,9,98,438.426,4.048,6,0.409,0.76,1.0,0.23359433897608115,0.3186981701048592,0.4636162703036118,0.5002398738948667,0.3790371633198547
EOS-3-11086,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cc5)n34)n2)o1,DRISWFJMNXOHHI-UHFFFAOYSA-N,3,1,0.318,38,865,435.451,3.612,6,0.413,0.71,1.0,0.13952950448906862,0.07017168117332602,0.2013827016654102,0.18711877184565828,0.1495506647933658
EOS-3-11087,Fc1cncc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)c1,DYKBCNSLHCCQFK-UHFFFAOYSA-N,3,1,0.5,55,939,433.834,4.015,5,0.386,0.77,1.0,0.8642742101295319,0.8124528819135083,0.7945737098211226,0.8010331711328902,0.8180834932492633
EOS-3-11088,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)nc(C)n2)ccn1,LDQUFVIFPOXWKG-UHFFFAOYSA-N,3,1,0.453,7,205,453.466,2.333,5,0.409,0.69,1.0,0.4295027756836406,0.17563909259132343,0.10348845178534713,0.04231204166952231,0.18773559043245838
EOS-3-11089,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)n(C)n1,ZILSXYFNBGDHAE-UHFFFAOYSA-N,3,1,0.437,4,560,431.887,4.128,5,0.416,0.81,1.0,0.3411178123500788,0.4717377150298129,0.477460420807347,0.5070934137482009,0.44935234048385986
EOS-3-11090,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)n1,NUZYYWFSBFKKPS-UHFFFAOYSA-N,3,1,0.343,82,310,467.493,2.975,6,0.404,0.83,1.0,0.3411263792748955,0.14753101226783633,0.035484202590638066,0.028296552669453773,0.13810953670070591
EOS-3-11091,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)c2)cn1,YTSAGHBPHLGDQM-UHFFFAOYSA-N,3,1,0.311,42,42,433.479,3.654,6,0.421,0.72,1.0,0.06852683160852581,0.03691487903502159,0.48458810225481463,0.41609553834555546,0.25153133781097936
EOS-3-11092,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)cc1,TYONMFXJSNEBBN-UHFFFAOYSA-N,3,1,0.309,64,27,467.443,3.989,6,0.387,0.81,1.0,0.1897231169899253,0.277645466383387,0.5327513535741211,0.6068895209375642,0.4017523644712494
EOS-3-11093,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccncn6)c5)n34)nc2)n1,BBKROKGGWUOCHP-UHFFFAOYSA-N,3,1,0.252,86,664,433.439,2.594,6,0.412,0.69,0.979,0.0010965663765334795,0.004985950243300665,0.1618891782605716,0.137559111781235,0.07638270166541018
EOS-3-11094,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nccnc5Oc5ccccc5)n34)cc2)nn1,DKGMRNOIYJINRQ-UHFFFAOYSA-N,3,1,0.4,30,787,447.462,3.836,6,0.392,0.79,1.0,0.12583955863203344,0.08751970392707834,0.2617880885477349,0.25690494140223424,0.18301307312727022
EOS-3-11095,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)c2)n1,OFEPAUVYTPPRKH-UHFFFAOYSA-N,3,1,0.35,25,791,439.414,3.443,6,0.411,0.76,1.0,0.23928277705434858,0.3234271126036598,0.2766859708039202,0.36555924885203206,0.30123877732849014
EOS-3-11096,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cc1,DJKLMVCIDAQJBI-UHFFFAOYSA-N,3,1,0.342,30,543,448.425,3.301,6,0.4,0.69,0.998,0.19793879788910973,0.26746795970118564,0.22582413816736344,0.3940100061681859,0.27131022548146116
EOS-3-11097,O=C(OCc1cncc2nnc(-c3cc(-c4cccnn4)ccn3)n12)c1cccc(Cl)c1,VHFADIJRSREVMR-UHFFFAOYSA-N,3,1,0.412,14,159,443.854,3.654,5,0.379,0.78,1.0,0.19247309985607566,0.1756476595161401,0.43513124528819136,0.45088582002604344,0.31353445617161263
EOS-3-11098,COc1cc(C(=O)Nc2cncnc2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)nn3)n12,PIKKXWZHHZJMTI-UHFFFAOYSA-N,3,1,0.309,74,333,468.437,1.398,5,0.37,0.79,0.999,0.17237509423617298,0.07018024809814269,0.07508052909327667,0.023644712494003153,0.08532014598039886
EOS-3-11099,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)nn4)n23)cc1,PMZHIJIQBVIWAU-UHFFFAOYSA-N,3,1,0.325,39,944,449.413,2.696,6,0.395,0.68,0.975,0.20337022822287712,0.27263381536563636,0.1909481872387088,0.2955332054005894,0.24062135905695292
EOS-3-11100,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ncn1,BDARLWBQNPXTEF-UHFFFAOYSA-N,3,1,0.365,33,53,469.469,1.243,6,0.369,0.78,0.985,0.17238366116098966,0.06276129120690836,0.009663491193201288,0.007598862312384346,0.06310182646837091
EOS-3-11101,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)nc2)cn1C,QJJPOISQPFAKOP-UHFFFAOYSA-N,3,1,0.255,98,213,449.482,2.753,6,0.403,0.7,1.0,0.08077753409636076,0.087528270851895,0.09573538482626276,0.08268795833047769,0.08668228702624906
EOS-3-11102,CC1CCC(NC(=O)c2ccc(-c3cncc4nnc(-c5cccc(F)c5)n34)cn2)C(F)C1,IRQSGXNOYOFYFV-UHFFFAOYSA-N,3,1,0.371,0,169,448.477,4.249,5,0.505,0.67,1.0,0.18383763964087452,0.13275306695908437,0.539536358028922,0.6218816393667329,0.36950217599890345
EOS-3-11103,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)cn5)n34)cc2)nc1,ILOPXAGCRPQKIZ-UHFFFAOYSA-N,3,1,0.319,38,167,430.435,3.162,6,0.415,0.7,1.0,0.10717222945651429,0.11284353368514838,0.29861729833458983,0.33316770612021107,0.21295019189911588
EOS-3-11104,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cc2)c1,YKHONYVRVOEQFR-UHFFFAOYSA-N,3,1,0.293,38,787,430.435,3.162,6,0.415,0.7,1.0,0.1341837434034679,0.08753683777671167,0.3767305188129669,0.38790178877390175,0.24658822219176207
EOS-3-11105,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5cnccn5)ccc4Cl)n23)cc1,OGCHWGLGEWAOOQ-UHFFFAOYSA-N,3,1,0.474,89,731,472.896,3.235,5,0.4,0.78,1.0,0.5799122746898773,0.5035895414981838,0.3613957233911315,0.28642656432047153,0.4328310259749161
EOS-3-11106,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,REVXNLPAPYBBJR-UHFFFAOYSA-N,3,1,0.31,64,449,436.414,3.235,6,0.447,0.66,1.0,0.2527157151668837,0.29842882598862314,0.2913097114659722,0.37840963607703376,0.3052159721746282
EOS-3-11107,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c2)nn1,GPSRJXFZQPJKDA-UHFFFAOYSA-N,3,1,0.49,36,51,435.398,2.893,5,0.401,0.72,1.0,0.40429031594818726,0.45442395997532725,0.6048505928311974,0.5341220615447879,0.49942173257487493
EOS-3-11108,Clc1cnc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)cn1,ZOQFWRSFCKGDEH-UHFFFAOYSA-N,3,1,0.5,2,419,430.859,3.313,5,0.404,0.72,1.0,0.6370279624426016,0.7670224796107189,0.3767390857377836,0.4255962579672401,0.551596446439586
EOS-3-11110,COc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)n1,OQZQDZJBMMEBCG-UHFFFAOYSA-N,3,1,0.387,8,973,438.411,2.493,6,0.395,0.73,1.0,0.22841991638681378,0.10656397779453088,0.07928688917826057,0.077496401891577,0.12294179631279556
EOS-3-11111,N#Cc1cccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,WGJFESSEJHACGE-UHFFFAOYSA-N,3,1,0.57,1,92,439.866,4.352,5,0.401,0.78,1.0,0.8730810088410664,0.9616373106709616,0.7969553149201563,0.8032520046604071,0.8587314097731479
EOS-3-11112,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccn5)ccn4)n23)cc1F,BFCSBJQYJZORPA-UHFFFAOYSA-N,3,1,0.516,97,788,473.443,3.465,5,0.402,0.79,1.0,0.6339695702830512,0.432355561647591,0.6905712425467754,0.5977229113837297,0.5886548214652868
EOS-3-11113,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccnnc5)nc4)n23)cn1,AFQLKKHKSMAWDM-UHFFFAOYSA-N,3,1,0.261,86,780,434.427,1.896,6,0.404,0.69,1.0,0.08735693235556165,0.034027825371804536,0.06641936810362552,0.06802138304434241,0.06395637721883353
EOS-3-11114,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)cn1,DLBDKJGZOMAGTB-UHFFFAOYSA-N,3,1,0.568,75,454,440.467,2.806,5,0.359,0.77,1.0,0.3980193269823864,0.16312281543417176,0.2510622986772668,0.17349736138715646,0.24642545062024535
EOS-3-11115,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)cn2)cn1,KUTNWJBVACDKIQ-UHFFFAOYSA-N,3,1,0.329,42,392,447.437,3.906,6,0.375,0.77,1.0,0.29023027893907205,0.3904375985196354,0.5225824138167363,0.5140754574737852,0.42933143718730726
EOS-3-11116,Cn1ncnc1-c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nn1,KDBGDHLNECUBSJ-UHFFFAOYSA-N,3,1,0.33,33,60,454.458,0.65,6,0.387,0.67,0.851,0.032048865739154275,0.015883078610102117,0.0021245973545336166,0.0013707079706668495,0.012856812418614215
EOS-3-11117,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,GLCHDGVRBCYJNU-UHFFFAOYSA-N,3,1,0.448,73,196,434.822,3.41,5,0.414,0.72,1.0,0.8034833116304572,0.8517836337468302,0.5260434514426702,0.5855750119936948,0.691721352203413
EOS-3-11118,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nc(C)ns5)c4)n23)cc1,UTFWXBYPJFYRQB-UHFFFAOYSA-N,3,1,0.484,89,731,458.507,2.952,5,0.412,0.71,1.0,0.43367486806935784,0.22692927146871358,0.11414570625728189,0.052729422246590364,0.20686981701048593
EOS-3-11119,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(F)cn5)cn4)n23)nc1,MWYXLJRFQXBZAA-UHFFFAOYSA-N,3,1,0.415,7,775,444.39,1.25,5,0.404,0.68,1.0,0.5189157699952025,0.2366955657597149,0.07929545610307724,0.05411726406689055,0.2222560139812213
EOS-3-11120,Cc1noc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)n2)n1,WNOGZPZZSJDRPW-UHFFFAOYSA-N,3,1,0.329,38,865,435.451,3.612,6,0.413,0.74,1.0,0.16173497361387157,0.09370502364471249,0.18447159207730793,0.16533308203687205,0.151311167843191
EOS-3-11121,COc1cc(CCOc2cncc3nnc(-c4cnc(-c5cccc(F)c5)nc4)n23)ccn1,XFSOSZJRVUYMJY-UHFFFAOYSA-N,3,1,0.643,35,393,443.442,3.413,5,0.377,0.74,1.0,0.772385374545953,0.7711174696730861,0.48114419847851414,0.3912171886779522,0.6039660578438764
EOS-3-11122,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)s4)n23)cc1,YZCNBFLDWBFIPX-UHFFFAOYSA-N,3,1,0.511,89,398,469.53,3.781,6,0.386,0.82,1.0,0.35728359947913096,0.20205948872592694,0.08415290247412789,0.09984750873826331,0.18583587485436226
EOS-3-11123,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(CO)cn5)n34)nc(C)n2)cn1,ISXKJILLVWQYJM-UHFFFAOYSA-N,3,1,0.43,7,500,440.467,2.726,5,0.424,0.7,1.0,0.3595109999314646,0.22153210883421287,0.2690100061681859,0.16022719484613804,0.2525700774450004
EOS-3-11124,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)c(Cl)c4)n23)nc1,GNUBZGDSCLNGIY-UHFFFAOYSA-N,3,1,0.333,63,188,408.824,3.538,5,0.558,0.92,1.0,0.24195565759714893,0.31870673702967584,0.4496007813035433,0.6394524021657186,0.4124288945240217
EOS-3-11125,Fc1cc(-c2nnc3cncc(OCc4cncc(C(F)(F)F)n4)n23)ccc1Cl,JJLKLDACDVBUND-UHFFFAOYSA-N,3,1,0.577,68,255,424.745,3.972,4,0.461,0.72,1.0,0.92513364402714,0.9666061270646289,0.9842454252621479,0.9699729285175793,0.961489531217874
EOS-3-11126,COC1CCCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)nn2)C1,MXESLBGKHJLQMO-UHFFFAOYSA-N,3,1,0.347,78,546,450.89,2.548,5,0.436,0.7,0.998,0.06642793502844219,0.1402748269481187,0.003940785415667192,0.03736892605030498,0.06200311836063327
EOS-3-11127,NC(=O)c1ccc(-c2nnc3cncc(CCc4cccc(C(F)(F)F)c4)n23)cc1,PLCSGUSXZFUUBE-UHFFFAOYSA-N,3,1,0.494,66,225,411.387,3.694,4,0.543,0.85,1.0,0.45268487423754367,0.4633164279350284,0.962476869302995,0.9048385991364539,0.6958291926530052
EOS-3-11128,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(F)nc5)n4)n23)cc1F,NTHMUDULLVJELG-UHFFFAOYSA-N,3,1,0.309,62,802,469.455,4.086,6,0.39,0.82,1.0,0.22251730518812968,0.26747652662600235,0.5051144541155507,0.6006099650469467,0.39892956274415736
EOS-3-11129,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cscn5)n4C)n23)cc1,OXMMTGXBRJKCFL-UHFFFAOYSA-N,3,1,0.329,8,882,441.484,2.506,6,0.41,0.67,1.0,0.04621855938592283,0.05892330888904119,0.01837605373175245,0.02295079158385306,0.036617178397642385
EOS-3-11131,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2F)n1,POWVVBHGWAANJD-UHFFFAOYSA-N,3,1,0.61,35,393,428.431,3.107,5,0.406,0.72,1.0,0.8809283119731341,0.8548163251319306,0.39510657254471937,0.3655678157768487,0.6241047563566582
EOS-3-11132,Cn1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(Cl)c(F)c5)n34)cn2)cn1,PVPZHUVODRVSQJ-UHFFFAOYSA-N,3,1,0.38,14,81,419.851,3.97,5,0.44,0.83,1.0,0.28754026454663834,0.39044616544445204,0.8134723459666918,0.8262199300938935,0.5794196765129189
EOS-3-11133,N#Cc1cc(-c2nnc3cncc(OCc4ncc(-c5cscn5)cn4)n23)ccc1F,FPIZWYGXNRLOCA-UHFFFAOYSA-N,3,1,0.488,51,946,430.428,3.295,5,0.417,0.76,1.0,0.7669025426632856,0.8164193681036255,0.5824823521348776,0.5571756562264409,0.6807449797820575
EOS-3-11134,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)n1,DVVTVPZUPUPBAP-UHFFFAOYSA-N,3,1,0.578,43,337,431.406,3.809,5,0.418,0.74,1.0,0.9574566513604277,0.8860170653142349,0.7270834761154136,0.69981495442396,0.8175930368035091
EOS-3-11135,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)n2)cc1,ROLDHNMQKOUFGV-UHFFFAOYSA-N,3,1,0.317,10,871,436.414,3.03,6,0.414,0.67,0.287,0.030832362415187445,0.1711243232129395,0.30576211363169076,0.3784182030018505,0.22153425056541703
EOS-3-11136,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)nc1,JLVNUNQASIPCTB-UHFFFAOYSA-N,3,1,0.275,10,871,436.414,3.03,6,0.414,0.67,0.734,0.02737132478925365,0.1363597423069015,0.20849324926324447,0.29869440065793984,0.16772967925433485
EOS-3-11137,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1,WPCNXJCHUDEJDQ-UHFFFAOYSA-N,3,1,0.506,20,279,432.875,3.257,5,0.406,0.71,1.0,0.8244894112809266,0.722097525872113,0.27669453772873687,0.292500514015489,0.5289454972243164
EOS-3-11138,Clc1cnc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ncccn5)n34)cn2)cn1,OKOWICNYLNNEKS-UHFFFAOYSA-N,3,1,0.299,86,249,453.857,2.939,6,0.396,0.71,1.0,0.003726612295250497,0.1515317661572202,0.14625454047015282,0.2131193886642451,0.12865807689671716
EOS-3-11139,Cn1nc(-c2ccncc2F)cc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1=O,SRFFGJYIGFPXKF-UHFFFAOYSA-N,3,1,0.506,13,374,449.833,3.532,5,0.413,0.74,1.0,0.622704064149133,0.7839250222740045,0.5731015694606264,0.6537334658351038,0.658366030429717
EOS-3-11140,OCc1c(F)cccc1-c1nnc2cncc(-c3cnn(-c4cccc(C(F)F)c4)c3)n12,AABOUFHRCNRQCJ-UHFFFAOYSA-N,3,1,0.306,96,315,436.397,4.213,5,0.446,0.74,0.988,0.04760640120622302,0.28812281543417173,0.9609262559111781,0.9526677403879104,0.5623308032348708
EOS-3-11141,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)nn2C)cn1,QVZVOLGNCODMMP-UHFFFAOYSA-N,3,1,0.449,95,998,422.399,2.783,5,0.433,0.77,0.87,0.3618669042560482,0.272642382290453,0.5983568638201631,0.5536717839764238,0.446634483585772
EOS-3-11142,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cn1,UDGRZRXPNMILBZ-UHFFFAOYSA-N,3,1,0.425,9,339,447.437,3.906,6,0.4,0.72,1.0,0.30861489959564115,0.38110821739428413,0.5731101363854431,0.6247172914810499,0.47188763621410457
EOS-3-11143,COc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)c1,LWHVYBYDZQYTAV-UHFFFAOYSA-N,3,1,0.341,64,27,462.477,3.114,6,0.38,0.74,1.0,0.08736549928037832,0.04751216503323967,0.1433417860324858,0.15753718045370435,0.10893915769995202
EOS-3-11144,COc1ncc(-c2nnc3cncc(Cc4ccc(-c5cnc(C)n5C)cc4)n23)cc1F,REIYZYMQTGPNIA-UHFFFAOYSA-N,3,1,0.386,85,81,429.459,3.634,5,0.424,0.73,1.0,0.4042988828730039,0.4094904393119046,0.47398224933177985,0.3427455280652457,0.4076292748954835
EOS-3-11145,CNC(=O)c1ccc(-c2nnc3cncc(COc4ccc(-c5cnc(C)n5C)cn4)n23)cc1F,ZBTHCKKTTWQTKD-UHFFFAOYSA-N,3,1,0.385,74,788,472.484,2.973,5,0.404,0.76,1.0,0.40014392433692003,0.3667586183263656,0.35763484339661433,0.19279864299910904,0.32933400726475226
EOS-3-11146,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cc1,PNIDBSPNQAUOJY-UHFFFAOYSA-N,3,1,0.346,32,20,446.449,4.511,6,0.393,0.79,0.999,0.30084469878692344,0.4233003221163731,0.5429031594818724,0.609965046946748,0.4692533068329793
EOS-3-11147,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5cccnc5)[nH]4)n23)c1,ODGPMJBYVWBJCM-UHFFFAOYSA-N,3,1,0.322,39,407,436.414,3.235,6,0.447,0.67,0.953,0.1589849907477212,0.22154067575902953,0.2439346172297992,0.3655763827016654,0.24750916660955385
EOS-3-11148,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5ncccc5F)n4)n23)c(F)c1,ILCRPIOHFZBJCP-UHFFFAOYSA-N,3,1,0.494,34,446,435.369,3.64,5,0.416,0.75,1.0,0.8789664861901172,0.9098245493797547,0.7038414090877938,0.7482437804125831,0.8102190562675622
EOS-3-11149,c1cc(-c2cnccn2)nc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1,RDSFVWVXBLKLQA-UHFFFAOYSA-N,3,1,0.358,32,983,428.459,4.372,6,0.411,0.8,1.0,0.13419231032828455,0.147539579192653,0.5595658282502913,0.5699746419025427,0.3528180899184429
EOS-3-11150,N#Cc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnn5)ncc4F)n23)cc1F,RGIWVBRRNKENIR-UHFFFAOYSA-N,3,1,0.457,4,391,443.377,2.767,5,0.403,0.69,1.0,0.7838136522513879,0.8005534233431567,0.5663079980810088,0.579535329997944,0.6825526009183743
EOS-3-11151,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)nn1,IYROFEWPVCUPEM-UHFFFAOYSA-N,3,1,0.505,89,408,428.416,1.055,5,0.418,0.7,1.0,0.3339301624288945,0.13276163388390103,0.07061716126379275,0.032048865739154275,0.14233945582893565
EOS-3-11152,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccnnc4)nc3)n12,RDWILHPFQTZMPX-UHFFFAOYSA-N,3,1,0.333,8,979,432.451,3.106,6,0.418,0.7,1.0,0.07857583441847714,0.08083750257007745,0.12002261668151601,0.1602357617709547,0.10991792886025631
EOS-3-11153,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c1,UEBUKWUJGWYUQC-UHFFFAOYSA-N,3,1,0.333,42,899,432.451,3.106,6,0.418,0.7,1.0,0.08285072990199438,0.04368274964018916,0.26901857309300253,0.28368514837913783,0.16980930025358099
EOS-3-11154,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnn(C)c6)cn5)n34)cn2)n1,FWJVGAJALOUNIZ-UHFFFAOYSA-N,3,1,0.289,86,513,437.427,2.402,6,0.404,0.68,1.0,0.11216674662463162,0.09981324103899664,0.07287882941539305,0.055607908984990746,0.085116681516003
EOS-3-11155,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)nc4)n23)cc1,CWEAECRIXSRKML-UHFFFAOYSA-N,3,1,0.364,62,139,413.466,3.336,5,0.485,0.82,1.0,0.14233945582893565,0.08754540470152834,0.3241724350627099,0.23039887601946404,0.19611404290315948
EOS-3-11156,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nn2)cn1,CXBPSQXXURQXFA-UHFFFAOYSA-N,3,1,0.411,51,62,431.847,2.974,5,0.413,0.68,0.933,0.6227126310739497,0.5398276334726887,0.29131827839078883,0.2987029675827565,0.4381403776300459
EOS-3-11157,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,GHSYIZGCSPQYMZ-UHFFFAOYSA-N,3,1,0.333,62,302,450.502,4.622,6,0.419,0.85,1.0,0.1536135288876705,0.09051812761291207,0.24394318415461586,0.25082242478240013,0.18472431635939962
EOS-3-11158,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)nc2)cn1,WQXKTZMFKZUJIW-UHFFFAOYSA-N,3,1,0.301,64,365,431.463,3.711,6,0.419,0.71,1.0,0.06643650195325886,0.023293468576519774,0.28405352614625456,0.31135631553697485,0.171284953053252
EOS-3-11159,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)nc2)n1,BCBQCMVVSIIEHJ-UHFFFAOYSA-N,3,1,0.301,64,365,431.463,3.711,6,0.419,0.71,0.995,0.0705743266397094,0.025615105201836748,0.22956788431224728,0.26285895414981836,0.14715406757590294
EOS-3-11160,Cc1cccc(-c2ncncc2-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,DDTHAEZTQRCDMF-UHFFFAOYSA-N,3,1,0.457,55,62,430.859,3.579,5,0.416,0.75,0.685,0.6143170447536153,0.5723476800767596,0.38786752107463507,0.4031594818723871,0.4944229319443492
EOS-3-11161,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccns5)cc4F)n23)cc1,QDGSOVHYYZCINF-UHFFFAOYSA-N,3,1,0.384,62,341,456.506,4.613,6,0.417,0.81,1.0,0.23929134397916524,0.24717291481049963,0.47399081625659656,0.5571842231512576,0.37940982454937977
EOS-3-11162,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cn1,HJFMXFBBCCLOOL-UHFFFAOYSA-N,3,1,0.342,98,635,450.441,3.245,6,0.402,0.7,1.0,0.23652422726338154,0.24204989377013228,0.2986258652594065,0.3144232746213419,0.27290581522856555
EOS-3-11163,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)nn2)n1,AHXCBUPGODLSHY-UHFFFAOYSA-N,3,1,0.333,98,507,452.417,2.035,6,0.39,0.69,0.145,0.12317524501404975,0.24205846069494893,0.07508909601809334,0.1375676787060517,0.14447262010828593
EOS-3-11164,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)nn1,AMWSPGLMZFPXOZ-UHFFFAOYSA-N,3,1,0.305,39,972,452.417,2.035,6,0.39,0.69,0.523,0.1563806456034542,0.21640052086902886,0.045833047769172776,0.11058186553354808,0.13229901994380097
EOS-3-11165,COc1nc(C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NCCO)cc3F)n12,VJYSYNVLUABZTE-UHFFFAOYSA-N,3,1,0.356,0,999,422.42,2.032,4,0.489,0.73,1.0,0.3595195668562813,0.19724487697895962,0.31307826742512507,0.1653416489616887,0.2587960900555137
EOS-3-11166,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)n2)cc1,HNRIWACMWSJIJB-UHFFFAOYSA-N,3,1,0.333,10,158,454.404,3.169,6,0.399,0.7,0.99,0.049276951545473235,0.21640908779384552,0.3650538002878487,0.526951545473237,0.2894228462751011
EOS-3-11167,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnnn4-c4ccccc4)n23)cc1,AQKUZAGYUNMYQB-UHFFFAOYSA-N,3,1,0.337,67,973,421.428,2.23,6,0.425,0.71,1.0,0.035998218079638135,0.02330203550133644,0.062487149612774996,0.10407100267288054,0.05646460146665752
EOS-3-11168,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(F)c1,RSXWMRXLYNNTNB-UHFFFAOYSA-N,3,1,0.747,48,406,411.824,3.304,4,0.525,0.84,1.0,0.7549431156192173,0.5723562470015763,0.7728394215612364,0.7635871427592351,0.7159314817353162
EOS-3-11169,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,QVGBTYHTUYFKLJ-UHFFFAOYSA-N,3,1,0.35,67,39,420.44,2.834,6,0.432,0.75,1.0,0.006716469056267562,0.014443835240901925,0.17491090398190665,0.2159893084778288,0.10301512918922623
EOS-3-11170,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)c1,RMAIZDZYDFLQCB-UHFFFAOYSA-N,3,1,0.329,32,541,446.449,4.511,6,0.393,0.81,0.973,0.16705503392502227,0.2984373929134398,0.6660184360222055,0.7242563909259132,0.46394181344664515
EOS-3-11171,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnc(Cl)c5)n4)n23)nc1,UCBRFBDJVBYYIY-UHFFFAOYSA-N,3,1,0.277,29,849,470.884,2.646,6,0.384,0.77,0.937,0.17239222808580631,0.20657425810431088,0.042551915564389,0.09574395175107943,0.1293155883763964
EOS-3-11172,CNC(=O)c1ccc(-c2cncc3nnc(-c4sc(C)nc4-c4ccnc(F)c4)n23)nc1,FVSQZTGRDFLCCT-UHFFFAOYSA-N,3,1,0.296,74,155,446.471,3.179,5,0.422,0.68,0.97,0.08737406620519499,0.17565622644095674,0.13742204098416833,0.11059043245836475,0.1277606915221712
EOS-3-11173,CCOc1cc(-c2nnc3cncc(-c4cc(-c5nnn(C)n5)ccn4)n23)ccc1Cl,CZLWVUUDZAHIJZ-UHFFFAOYSA-N,3,1,0.323,50,985,433.863,3.096,5,0.416,0.72,1.0,0.3008532657117401,0.4369817010485916,0.247447056404633,0.2688129668974025,0.31352374751559176
EOS-3-11174,Cc1cccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,HKBXPXHYDDVFSS-UHFFFAOYSA-N,3,1,0.529,4,534,429.871,4.184,5,0.413,0.75,1.0,0.6823726954972243,0.8915255979713522,0.5731187033102597,0.5948529915701459,0.6854674970872455
EOS-3-11175,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ncc(Cl)cc5F)n34)ncn2)cn1,IWWRNSVSYKGZPD-UHFFFAOYSA-N,3,1,0.316,7,726,435.81,3.327,5,0.419,0.71,0.993,0.6884723459666918,0.6018436022205469,0.35023302035501336,0.36232951819614834,0.5007196216846002
EOS-3-11176,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nn2)nn1,JZUUFTHWMDUZQS-UHFFFAOYSA-N,3,1,0.402,53,411,447.846,2.158,5,0.412,0.72,0.963,0.48643855801521485,0.44990062367212663,0.22583270509218012,0.2688215338222192,0.35774835515043524
EOS-3-11177,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cn1,YYEIORGKIDDEJO-UHFFFAOYSA-N,3,1,0.417,7,535,440.427,1.372,5,0.411,0.67,1.0,0.45030326913851004,0.24206702761976562,0.08150572270577754,0.03527859639503804,0.2022886539647728
EOS-3-11178,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)nn1,PFPWQOUFGIVFJH-UHFFFAOYSA-N,3,1,0.411,46,395,431.847,2.974,5,0.413,0.69,0.248,0.5500908094030567,0.4455828935645261,0.27255671304228635,0.29250908094030564,0.3901848742375437
EOS-3-11179,NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)c(F)c5)n4)n23)cc1,JIGYWTBDVCISDC-UHFFFAOYSA-N,3,1,0.436,22,331,418.367,2.416,5,0.479,0.7,1.0,0.09014118292097868,0.1840004112123912,0.5531063669385238,0.5405301213076554,0.3419445205948873
EOS-3-11180,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)cn2)c1,DXFHPWSUMCWOMQ-UHFFFAOYSA-N,3,1,0.286,94,673,451.881,4.149,6,0.397,0.75,0.984,0.0027499828661503665,0.1097508738263313,0.6197656089370159,0.6943663902405592,0.3566582139675142
EOS-3-11181,Cn1ncnc1-c1cncc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,RETXGZLCVIMBNL-UHFFFAOYSA-N,3,1,0.511,16,446,420.383,2.839,5,0.431,0.76,1.0,0.594724487697896,0.5677386745253924,0.5763484339661435,0.5699832088273593,0.5771987012541978
EOS-3-11183,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cn1,QUQMOHPTNQYRBS-UHFFFAOYSA-N,3,1,0.289,42,339,421.424,3.304,6,0.426,0.76,1.0,0.15095778219450345,0.05107600575697348,0.2690271400178192,0.28062675621958744,0.18792192104722089
EOS-3-11184,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c(F)c2)cn1,VYDKNKRKEHKCJR-UHFFFAOYSA-N,3,1,0.588,37,626,433.422,3.487,5,0.381,0.8,1.0,0.7810465355356041,0.7175998903433624,0.7820917003632376,0.7269121376190802,0.7519125659653211
EOS-3-11185,CC(C)Oc1ncc(-c2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)c(F)n1,PHQGGKVVSADWLH-UHFFFAOYSA-N,3,1,0.356,63,437,432.419,2.428,4,0.363,0.78,1.0,0.47654375985196357,0.4409995887876088,0.3803800287848674,0.1980244671372764,0.373986961140429
EOS-3-11186,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(F)c5F)n4)n23)cc1,PAHYTRFYCCBDIB-UHFFFAOYSA-N,3,1,0.31,98,973,457.408,2.508,6,0.396,0.68,1.0,0.06294976355287506,0.2215492426838462,0.22584127201699677,0.317464532931259,0.20695120279624427
EOS-3-11187,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)n5C)n34)cc2)s1,SRCWRJVELLOVGP-UHFFFAOYSA-N,3,1,0.302,8,474,452.507,3.476,6,0.4,0.71,1.0,0.041883695428688916,0.06661640737440888,0.04110410527037215,0.057081420053457614,0.05167140703173189
EOS-3-11188,CNC(=O)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ncc(Cl)cn5)n4)n23)cc1F,ULWICKZVYJRVQS-UHFFFAOYSA-N,3,1,0.319,50,413,450.825,2.186,5,0.424,0.69,1.0,0.2392999109039819,0.32343567952847646,0.14335035295730245,0.18182441230895757,0.22197758892467961
EOS-3-11189,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)c1,MIJVTDNTWORGAL-UHFFFAOYSA-N,3,1,0.378,50,859,415.392,1.887,5,0.474,0.77,1.0,0.12880371461860052,0.18837810979370845,0.2840620930710712,0.25978342814063465,0.21525683640600368
EOS-3-11190,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cc1)N1CCCC1,LHIMQXNJEBEIMT-UHFFFAOYSA-N,3,1,0.365,52,376,465.492,4.29,6,0.368,0.85,1.0,0.14492666712356933,0.11567918579946543,0.05283222534439038,0.19803303406209308,0.12786777808237954
EOS-3-11191,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)on1,ZUDIMAWBVWMDLM-UHFFFAOYSA-N,3,1,0.561,36,391,426.799,2.946,5,0.422,0.75,1.0,0.7921321362483723,0.8164279350284422,0.36506236721266533,0.4508943869508601,0.6061292063600849
EOS-3-11192,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)n5)n34)nc2)cn1,LBTLRFOQEAXUNE-UHFFFAOYSA-N,3,1,0.265,99,259,435.455,2.444,6,0.414,0.66,0.999,0.019763895552052636,0.011059899938318142,0.1034970187101638,0.09768007675964636,0.05800022274004524
EOS-3-11193,COCCOc1ccc(Cl)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,BAKPUPWSRAJTJB-UHFFFAOYSA-N,3,1,0.371,0,862,463.925,4.029,5,0.397,0.84,0.986,0.4043074497978206,0.34263415804262903,0.42017339455828934,0.4572596120896443,0.4060936536220958
EOS-3-11194,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)n1,KTNBOABQEQFLRH-UHFFFAOYSA-N,3,1,0.495,58,579,432.875,3.257,5,0.406,0.77,1.0,0.5319289287917209,0.6018521691453635,0.19095675416352545,0.24491124665889932,0.3924122746898774
EOS-3-11195,COCc1ccc(-c2nnc3cncc(-c4ccnc(-c5ncc(Cl)nn5)c4)n23)cn1,AEVHLQOILXGHQQ-UHFFFAOYSA-N,3,1,0.376,50,489,431.847,2.9,5,0.414,0.7,1.0,0.33865910492769513,0.35233191693509697,0.22957645123706394,0.25387225001713387,0.29360993077924746
EOS-3-11196,Cn1cc(-c2nccnc2-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)cn1,LLPWAFCHGKRKMI-UHFFFAOYSA-N,3,1,0.297,52,974,473.447,2.74,6,0.395,0.76,1.0,0.085001028030978,0.14386436844630252,0.1312281543417175,0.20418408608046057,0.14106940922486466
EOS-3-11197,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)cn1,UHBCFSYYLJRMOE-UHFFFAOYSA-N,3,1,0.613,68,127,441.295,3.593,4,0.447,0.66,1.0,0.6795370433829073,0.8048625865259407,0.9917414844767323,0.9514426701391269,0.8568959461311768
EOS-3-11198,Fc1ccc(-c2nnc3cncc(Cc4cc(-c5ncccn5)ccc4F)n23)c(F)c1,ZUEPRXCYFFFDTM-UHFFFAOYSA-N,3,1,0.404,45,358,418.382,4.256,5,0.436,0.84,1.0,0.49634192310328284,0.7314012062230142,0.9159841683229388,0.9286375162771572,0.7680912034815983
EOS-3-11199,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(F)c(F)c4)n23)cc1,CZPXOTGHNYENRS-UHFFFAOYSA-N,3,1,0.396,62,331,470.443,3.481,6,0.419,0.72,1.0,0.26859022685216916,0.252193132753067,0.4023798917140703,0.5236018778699199,0.36169128229730657
EOS-3-11200,Cc1nn(C)cc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,ZKGBGWPGCBISTE-UHFFFAOYSA-N,3,1,0.549,4,399,432.875,3.523,5,0.419,0.73,1.0,0.5138013158796518,0.6986755534233432,0.33522376807621135,0.3553646083201974,0.47576631142485093
EOS-3-11201,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)nc2)cc1,PYIYGNVEQDVOGF-UHFFFAOYSA-N,3,1,0.286,10,952,419.412,2.286,6,0.423,0.77,0.93,0.004514769378383935,0.01106846686313481,0.05103317113289014,0.10189500376944692,0.042127852785963954
EOS-3-11202,Cn1cc(-c2cc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)ccn2)nn1,AFYSMRDDVFFLDC-UHFFFAOYSA-N,3,1,0.294,10,195,420.44,2.834,6,0.432,0.77,1.0,0.002158865053800288,0.007230484545267631,0.21211705846069495,0.2333116304571311,0.11370450962922349
EOS-3-11203,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cn1,VSXMDRFJKNSQMD-UHFFFAOYSA-N,3,1,0.306,98,373,453.445,2.583,6,0.4,0.7,1.0,0.21993866081831265,0.2935285449934891,0.21879069289287917,0.2479011034199164,0.2450397505311493
EOS-3-11204,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)cc2)nn1,KNVFMEHAESWMAU-UHFFFAOYSA-N,3,1,0.297,98,882,435.455,2.444,6,0.414,0.67,1.0,0.04481358371598931,0.028013844150503734,0.12828969912960045,0.1287523130697005,0.0824673600164485
EOS-3-11205,Cn1nc(-c2ccnc(F)c2)nc1-c1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,ZORSEBUNMYSFER-UHFFFAOYSA-N,3,1,0.378,22,316,424.802,3.58,5,0.411,0.76,1.0,0.22252587211294633,0.44559146048934273,0.5856007127681447,0.7216606127064629,0.49384466451922415
EOS-3-11206,COc1ccc(-c2nncn2C)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,TXFONEOJCQCBQX-UHFFFAOYSA-N,3,1,0.6,43,520,447.886,3.828,5,0.39,0.75,1.0,0.8485196353916798,0.8202145157974093,0.5887704749503119,0.5269601123980536,0.6961161846343638
EOS-3-11207,Cn1ccnc1-c1cc(Cl)nc(-c2nnc3cncc(OCCc4ncccn4)n23)c1,QEZCEYMZSYADHQ-UHFFFAOYSA-N,3,1,0.381,18,359,433.863,2.652,5,0.376,0.75,1.0,0.4988605989993832,0.42775512302104035,0.09337948050167912,0.1154735796038654,0.283867195531492
EOS-3-11208,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4F)cc3)n12,IECRKAIXOVBKKX-UHFFFAOYSA-N,3,1,0.355,62,124,454.469,3.094,6,0.438,0.63,1.0,0.09478445617161264,0.15926769926667123,0.3130868343499417,0.3017356589678569,0.2172186621890206
EOS-3-11209,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cn1,KIWJRMLLRIRDKL-UHFFFAOYSA-N,3,1,0.305,42,174,420.436,3.909,6,0.426,0.8,1.0,0.20613734493866082,0.06662497429922555,0.5016105818655335,0.4635049002809951,0.30946945034610374
EOS-3-11210,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnc(C)s5)c4)n23)cc1,ZEYYTJFGLUANJC-UHFFFAOYSA-N,3,1,0.547,43,637,475.509,3.696,5,0.399,0.82,1.0,0.6227211979987664,0.45863888698512784,0.38038859570968403,0.26286752107463507,0.43115405044205335
EOS-3-11211,c1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cc1,SCAKELPIJXSQPL-UHFFFAOYSA-N,3,1,0.368,9,553,429.447,3.767,6,0.417,0.72,1.0,0.16706360084983893,0.1363683092317182,0.272565279967103,0.3331762730450278,0.22729336577342196
EOS-3-11212,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nc1,RZAYBZYHAYNTAX-UHFFFAOYSA-N,3,1,0.411,46,346,430.859,3.579,5,0.416,0.7,1.0,0.7607857583441848,0.7583870193955178,0.37674765266260024,0.3814680282365842,0.5693471146597218
EOS-3-11213,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)cn5)nc4)n23)nc1,GWJWIXQBFYRARI-UHFFFAOYSA-N,3,1,0.432,46,62,430.859,3.579,5,0.416,0.7,1.0,0.6427592351449524,0.597328832842163,0.395115139469536,0.3719159070659996,0.5017797786306627
EOS-3-11214,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)nc2)n1,XCFLVRUOVWXVPV-UHFFFAOYSA-N,3,1,0.253,99,813,435.455,2.444,6,0.414,0.65,1.0,0.040470152833938726,0.034036392296621205,0.11415427318209856,0.09985607566307998,0.07212922349393462
EOS-3-11215,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)c1,NPZNXDKLDYNIOM-UHFFFAOYSA-N,3,1,0.321,3,581,450.441,3.245,6,0.402,0.73,1.0,0.1179494208758824,0.22155780960866286,0.28034404770063737,0.39122575560276884,0.25276925844698783
EOS-3-11216,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(C)nc5C)cn4)n23)cn1,RJMWXFYMGZGTQS-UHFFFAOYSA-N,3,1,0.494,4,205,424.468,3.543,5,0.422,0.77,1.0,0.422452196559523,0.3326108560071277,0.2877972722911384,0.157545747378521,0.3001015180590775
EOS-3-11217,c1ccc(-n2cnc(-c3cncc4nnc(-c5ncc(-c6cccnc6)cn5)n34)n2)cc1,ISQOGPBJCUVHLH-UHFFFAOYSA-N,3,1,0.25,10,871,418.424,2.891,6,0.429,0.77,0.997,0.0009509286546501268,0.0027671167157837023,0.1112415187444315,0.1653502158865054,0.07007744500034269
EOS-3-11218,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)ncn4)n23)nc1,IEVULXFGPAXULP-UHFFFAOYSA-N,3,1,0.373,33,53,456.47,1.624,5,0.404,0.67,0.999,0.2957473785210061,0.08755397162634501,0.05284079226920704,0.013424371187718456,0.11239162840106914
EOS-3-11219,CC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cc1,ZGJPFIMEYVIEQJ-UHFFFAOYSA-N,3,1,0.494,7,408,442.414,2.959,5,0.365,0.74,1.0,0.70038037146186,0.5536460832019738,0.2653090946473854,0.18454012747584128,0.4259689191967651
EOS-3-11220,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)cn1,CGUDMPWJQBWJKL-UHFFFAOYSA-N,3,1,0.305,70,957,431.463,3.711,6,0.419,0.72,0.999,0.1478308546364197,0.05502535809745734,0.35764341032143104,0.3459495579466795,0.2266122952504969
EOS-3-11221,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c2)cn1,MILLRCKMZSKFOR-UHFFFAOYSA-N,3,1,0.289,70,967,431.463,3.711,6,0.419,0.72,1.0,0.06462031389212529,0.05108457268179015,0.4567284627510109,0.42560482489205675,0.2495095435542458
EOS-3-11222,COCc1ncc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)cc1F,JYWHRMHQXVXUOW-UHFFFAOYSA-N,3,1,0.317,82,478,431.406,3.735,5,0.419,0.74,0.986,0.48135837159893086,0.5169796449866356,0.8071842231512576,0.7921749708724556,0.6494243026523199
EOS-3-11223,c1ccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6nccs6)nc5)n34)cn2)cc1,NNABGFRMNJAVCY-UHFFFAOYSA-N,3,1,0.269,10,195,423.465,3.558,6,0.427,0.76,0.417,0.005782674251250771,0.028022411075320403,0.1433589198821191,0.18454869440065794,0.09042817490233705
EOS-3-11224,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4cncnc4)ccn3)n12,CPXCWILEZSCUAN-UHFFFAOYSA-N,3,1,0.433,46,160,433.834,4.015,5,0.413,0.74,1.0,0.6914022342539922,0.6935868000822425,0.8350352957302447,0.8530172709204304,0.7682604002467275
EOS-3-11225,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)cn5)n34)cn2)cc1,UMJLLGMDKPFCSL-UHFFFAOYSA-N,3,1,0.325,10,673,452.428,4.379,6,0.395,0.77,1.0,0.006288122815434172,0.1327702008087177,0.770526351860736,0.8321568089918443,0.43543537111918307
EOS-3-11226,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)cn1,ZJVDRLQIEFWLNJ-UHFFFAOYSA-N,3,1,0.303,42,151,420.44,2.834,6,0.432,0.73,1.0,0.004146391611267219,0.013081694195051743,0.35024158727983,0.3144318415461586,0.17047537865807688
EOS-3-11227,Fc1cc(-c2ncon2)ccc1-c1cncc2nnc(-c3cnc(-c4cccnc4)nc3)n12,HBBNHNHVPHSTEU-UHFFFAOYSA-N,3,1,0.355,42,106,437.398,3.499,6,0.408,0.71,1.0,0.3458039202247961,0.37642210951956684,0.4312075937221575,0.4540984168322939,0.4018830100747036
EOS-3-11228,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)n1,JDZZGTWPBXMMQI-UHFFFAOYSA-N,3,1,0.646,59,294,448.849,3.718,5,0.4,0.73,1.0,0.8620211089027483,0.788217051607155,0.5887790418751285,0.6159704612432322,0.713746915907066
EOS-3-11229,CCn1nnc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)cn5)n34)cn2)n1,CZQILGGWWMMYED-UHFFFAOYSA-N,3,1,0.357,85,362,453.392,2.259,5,0.394,0.71,1.0,0.17512507710232336,0.2776540333082037,0.2403622095812487,0.17614454115550682,0.21732146528682064
EOS-3-11230,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)cc1,CANMYCANONFWMX-UHFFFAOYSA-N,3,1,0.329,9,7,454.885,3.692,6,0.431,0.69,1.0,0.17513364402714002,0.27265094921526967,0.42414844767322324,0.47572133506956343,0.3369135939962991
EOS-3-11231,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1,MELHOTCUKDRXHY-UHFFFAOYSA-N,3,1,0.524,16,526,435.85,3.958,5,0.415,0.75,1.0,0.7339969844424645,0.6788773901720239,0.6660270029470221,0.6651446096909054,0.6860114968131039
EOS-3-11232,Oc1ccc(-c2ncc(-c3nnc4cncc(-c5ncc(-c6nn[nH]n6)cn5)n34)cn2)cc1,MJDNMTVYABPCDI-UHFFFAOYSA-N,3,1,0.272,86,780,436.399,1.591,6,0.411,0.67,1.0,0.22842848331163046,0.1592762661914879,0.062495716537591665,0.0736926872729765,0.13097328832842164
EOS-3-11233,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cnc(-c5cncnn5)nc4)n23)cn1,NCSYWOKSGHHWOK-UHFFFAOYSA-N,3,1,0.523,7,362,452.36,2.426,5,0.392,0.69,1.0,0.7838222191762045,0.5879823178671784,0.6960369405798095,0.5038893838667672,0.6429327153724899
EOS-3-11234,Cn1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cc1=O,CAFGOTYOYVMUNU-UHFFFAOYSA-N,3,1,0.467,13,145,448.845,4.137,5,0.41,0.77,1.0,0.5662308957576588,0.5973373997669796,0.8071927900760743,0.820197381947776,0.6977396168871222
EOS-3-11235,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cn1,BMDVPNHSMSTEMY-UHFFFAOYSA-N,3,1,0.49,87,779,451.853,2.791,5,0.387,0.72,0.999,0.642767802069769,0.6351860736070181,0.24395175107943254,0.3017442258926736,0.45591246316222334
EOS-3-11236,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(C)nn5)cc4F)n23)c(F)c1,KJEKKMKSRNSJAQ-UHFFFAOYSA-N,3,1,0.384,62,451,473.443,3.987,5,0.411,0.8,1.0,0.712528270851895,0.567747241450209,0.7038499760126106,0.582653690631211,0.6416947947364814
EOS-3-11237,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(Cl)nn5)n4)n23)cc1,XJPBHLGXRPLBPZ-UHFFFAOYSA-N,3,1,0.305,8,890,456.861,2.278,6,0.392,0.7,1.0,0.028553560413953807,0.15928483311630456,0.07062572818860942,0.12012541977931601,0.09464738537454595
EOS-3-11238,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)cn1,CGNHHAPOIQKMBE-UHFFFAOYSA-N,3,1,0.581,11,796,429.871,3.918,5,0.378,0.8,1.0,0.8191522171201425,0.9056781577684874,0.5016191487903502,0.5236104447947365,0.6875149921184291
EOS-3-11239,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)nn5)n4)n23)cc1,DGMUPATUUJVHPC-UHFFFAOYSA-N,3,1,0.31,8,890,457.849,1.673,6,0.383,0.7,1.0,0.03084092934000411,0.17989685422520732,0.021871359056952915,0.050219313275306696,0.07070711397436777
EOS-3-11240,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nc(C)n2)c1,DNKAPBRHOSUSOB-UHFFFAOYSA-N,3,1,0.511,44,531,441.47,4.021,5,0.393,0.77,1.0,0.6642964841340553,0.5123706394352683,0.4774689877321637,0.4414279350284422,0.5238910115824823
EOS-3-11241,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cn4)n23)nc1,GMONYKRBNJFZCF-UHFFFAOYSA-N,3,1,0.32,85,60,424.428,1.384,5,0.443,0.63,1.0,0.13175073675553423,0.03072955931738743,0.08898464807072853,0.0515214858474402,0.0757466074977726
EOS-3-11242,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)cc1,XZIKKQCRANMACN-UHFFFAOYSA-N,3,1,0.338,9,508,452.457,3.188,6,0.405,0.67,1.0,0.20071448152971008,0.2935371119183058,0.3878760879994517,0.40316804879720375,0.3213239325611678
EOS-3-11243,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)nc1,BZYLIGVVZZQHEG-UHFFFAOYSA-N,3,1,0.293,30,195,430.475,4.409,6,0.412,0.8,0.997,0.001259337948050168,0.011077033787951477,0.4811527654033308,0.4729370845041464,0.24160655541086973
EOS-3-11244,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3nccnc3-c3cccnc3)n12,FDUDFRAMBFNHJG-UHFFFAOYSA-N,3,1,0.324,64,854,432.451,3.106,6,0.418,0.71,1.0,0.05762970324172435,0.02331060242615311,0.04914844767322322,0.09768864368446302,0.05694434925639093
EOS-3-11245,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cn1,AOJTZXAZIIISDY-UHFFFAOYSA-N,3,1,0.283,94,892,432.451,3.106,6,0.418,0.71,1.0,0.10466212048523062,0.07018881502295936,0.20139126859022685,0.20419265300527722,0.1451087142759235
EOS-3-11246,Cn1cc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccncc5)n34)c2)nn1,JOZYXDXLONYPGN-UHFFFAOYSA-N,3,1,0.277,64,495,432.451,3.106,6,0.418,0.71,1.0,0.029607292166403947,0.005542800356384072,0.19096532108834213,0.22744328695771365,0.11338967514221095
EOS-3-11247,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)n1,RMCWPAGAZDZLSM-UHFFFAOYSA-N,3,1,0.329,76,750,450.441,3.245,6,0.402,0.71,0.725,0.20072304845452676,0.267485093550819,0.25107086560208347,0.33318483996984444,0.2631159618943184
EOS-3-11248,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)s4)n23)cc1,NXZKIJHPYTUOQP-UHFFFAOYSA-N,3,1,0.511,89,656,470.518,3.176,6,0.385,0.79,1.0,0.35034439037763004,0.13277876773353436,0.05284935919402371,0.060037009115208005,0.14900238160509904
EOS-3-11249,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)nc5)n34)c(F)c2)c1,IJLVBGCRMNAAAH-UHFFFAOYSA-N,3,1,0.31,42,693,449.453,3.85,6,0.403,0.75,1.0,0.2737903502158865,0.36187547118086494,0.5260520183674868,0.5002484408196833,0.41549157014598037
EOS-3-11250,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)c2)nn1,SZUMINKJMKPHJZ-UHFFFAOYSA-N,3,1,0.323,9,764,433.479,3.654,6,0.421,0.71,1.0,0.05582208210540744,0.021134603522719484,0.43121616064697416,0.40014392433692003,0.22707919265300527
EOS-3-11251,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5F)n34)n2)cc1,GTALOVCICVNAKZ-UHFFFAOYSA-N,3,1,0.337,3,118,443.377,3.367,6,0.408,0.71,1.0,0.10718079638133096,0.24207559454458227,0.5160715509560688,0.5918717017339455,0.3642999109039819
EOS-3-11252,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nn4)n23)cn1,PDUGYQMBAOVKEK-UHFFFAOYSA-N,3,1,0.26,70,813,435.455,2.444,6,0.414,0.68,1.0,0.03338530601055445,0.030738126242204098,0.11416284010691523,0.10190357069426359,0.07004746076348434
EOS-3-11253,COc1ncccc1-c1cc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4)n23)nn1C,SLALWKWWMQGRDP-UHFFFAOYSA-N,3,1,0.268,98,882,451.454,2.442,6,0.419,0.72,1.0,0.12318381193886642,0.10975944075114796,0.12003118360633266,0.0937564251936125,0.11168271537248989
EOS-3-11254,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)cc1,UXVRIVUXIYQJBV-UHFFFAOYSA-N,3,1,0.411,44,238,430.859,3.579,5,0.416,0.71,0.997,0.5917260640120622,0.5262404907134535,0.34235144952367896,0.36865190871084913,0.45724247824001096
EOS-3-11255,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)nc1,YOXHKHFKQOBSLT-UHFFFAOYSA-N,3,1,0.476,2,131,430.859,3.579,5,0.416,0.71,1.0,0.7067284627510109,0.6446011239805359,0.435139812213008,0.4320043177301076,0.5546184291686655
EOS-3-11256,Cn1ccc(-c2ccc(OCc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)n1,JXTFMGWQADMEJD-UHFFFAOYSA-N,3,1,0.303,33,647,467.493,2.453,6,0.387,0.72,1.0,0.172400795010623,0.08756253855116168,0.06250428346240833,0.04895997532725653,0.09285689808786239
EOS-3-11257,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccsc5)n4C)n23)cc1,HMZDGYNXDKXMCS-UHFFFAOYSA-N,3,1,0.316,8,890,440.496,3.111,6,0.415,0.68,1.0,0.07058289356452607,0.06663354122404222,0.04743506270988966,0.07162805839215955,0.06406988897265437
EOS-3-11258,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5nccs5)cc4F)n23)nc1,OMIMVSQPQVCQOS-UHFFFAOYSA-N,3,1,0.402,14,647,463.473,3.538,5,0.428,0.68,0.806,0.17514221095195667,0.24208416146939896,0.5124477417586183,0.4509029538756768,0.34514426701391265
EOS-3-11259,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4F)n23)cc1,ARHOCTGEHKFZEN-UHFFFAOYSA-N,3,1,0.53,90,555,414.347,2.542,4,0.505,0.76,1.0,0.8770646288808169,0.5587434034678912,0.8093345212802412,0.6681344664519224,0.728319255020218
EOS-3-11260,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncs5)cnc4C)n23)cc1,JQNWFRUYYQIMTQ-UHFFFAOYSA-N,3,1,0.495,89,398,458.507,2.952,5,0.412,0.7,1.0,0.4503118360633267,0.2164176547186622,0.1844801590021246,0.08614042903159481,0.23433751970392708
EOS-3-11261,Clc1cnccc1CCOc1cncc2nnc(-c3cccc(-c4cnccn4)c3)n12,KDWKUXZXGRGDOI-UHFFFAOYSA-N,3,1,0.565,35,161,429.871,3.918,5,0.404,0.74,1.0,0.8318655335480776,0.8453241724350627,0.6226697964498663,0.645295044890686,0.7362886368309232
EOS-3-11262,Cn1ccnc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)ccc1F,FKPQUIQNHXWNNF-UHFFFAOYSA-N,3,1,0.429,46,128,436.838,3.353,5,0.417,0.69,1.0,0.5270714824206703,0.6396494414365019,0.3576519772462477,0.4097217462819546,0.48352366184634366
EOS-3-11263,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)c(F)c1,JHVLAAXUUGZYEP-UHFFFAOYSA-N,3,1,0.305,3,498,449.453,3.85,6,0.403,0.73,0.998,0.15096634911932014,0.27766260023302036,0.4241570145980399,0.5002570077445,0.3382607429237201
EOS-3-11264,Cc1nccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c2)n1,DCHDLZOFGUSVFK-UHFFFAOYSA-N,3,1,0.478,43,521,473.443,3.513,5,0.401,0.78,1.0,0.769498320882736,0.39045473236926875,0.7295850181618806,0.6275957782194503,0.6292834624083339
EOS-3-11265,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5c(C)nn(C)c5C)nc4)n23)cc1,KJKNQOPXECTHDO-UHFFFAOYSA-N,3,1,0.558,89,398,468.521,3.142,5,0.407,0.76,1.0,0.36187547118086494,0.12946336782948392,0.15873654992803782,0.057089986978274276,0.17679134397916524
EOS-3-11266,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,SCADLCUIINGTPF-UHFFFAOYSA-N,3,1,0.506,4,208,434.822,3.41,5,0.414,0.71,1.0,0.8164793365773422,0.8548248920567473,0.512456308683435,0.5503992186964567,0.6835399390034953
EOS-3-11267,N#Cc1cccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cn2)c1,MCXRFTNHRYHHOH-UHFFFAOYSA-N,3,1,0.337,32,687,453.469,4.244,6,0.389,0.77,1.0,0.17515077787677336,0.22693783839353027,0.5950671646905626,0.6036255225824139,0.40019532588582
EOS-3-11269,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4Cl)n23)cc1,VCSASQKEXXLXKI-UHFFFAOYSA-N,3,1,0.36,62,3,458.884,4.672,5,0.423,0.79,1.0,0.27379891714070315,0.4002895620588034,0.8072013570008909,0.8010417380577068,0.5705828935645261
EOS-3-11270,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C#N)c(F)c5)cc4)n23)cn1,OBUPVBCEXPTUNK-UHFFFAOYSA-N,3,1,0.349,62,3,463.476,4.233,5,0.395,0.81,1.0,0.2061459118634775,0.3475772736618463,0.690579809471592,0.627604345144267,0.4679768350352957
EOS-3-11271,Cn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)nc1,DYGAEUALGOQANN-UHFFFAOYSA-N,3,1,0.38,42,774,448.465,4.455,6,0.396,0.82,1.0,0.25781303543280104,0.3618840381056816,0.6744482900418066,0.7026163388390103,0.4991904256048249
EOS-3-11272,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,DDYZSNHLNSCAHH-UHFFFAOYSA-N,3,1,0.293,8,608,446.478,3.589,6,0.395,0.72,1.0,0.09014974984579535,0.06276985813172503,0.07288739634020971,0.10830306353231443,0.08352751696251114
EOS-3-11273,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cn2)ccn1,DJOBGSVYVOISAD-UHFFFAOYSA-N,3,1,0.315,94,723,429.447,3.767,6,0.417,0.73,0.998,0.11217531354944829,0.1190117195531492,0.522590980741553,0.5002655746693166,0.3135108971283668
EOS-3-11274,c1ccc(-c2nccnc2-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cc1,WISDOFAGPQLUOG-UHFFFAOYSA-N,3,1,0.338,64,365,429.447,3.767,6,0.417,0.73,1.0,0.13953807141388527,0.08084606949489412,0.18448872592694127,0.2508309917072168,0.16392596463573436
EOS-3-11275,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NCC#N)c(F)c5)n34)nn2)n(C)n1,BULUMHAAPPMGIC-UHFFFAOYSA-N,3,1,0.33,74,768,468.456,2.35,5,0.388,0.74,1.0,0.22548146117469672,0.22694640531834692,0.2581471455006511,0.20993249263244465,0.23012687615653485
EOS-3-11276,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(C(F)F)n4)n23)nc1,OZZGVXCLZCRACH-UHFFFAOYSA-N,3,1,0.44,68,457,411.372,2.458,4,0.519,0.82,0.999,0.457191076691111,0.2935456788431225,0.4707610856007128,0.2806353231444041,0.37553329106983757
EOS-3-11277,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)n1,LOKKFLYECBKQPF-UHFFFAOYSA-N,3,1,0.307,38,746,433.439,2.501,6,0.412,0.67,1.0,0.06853539853334246,0.0627784250565417,0.06642793502844219,0.08799088479199507,0.07143316085258036
EOS-3-11278,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5cncc(Cl)c5)no4)n23)cc1,SATAHIPETBZHHY-UHFFFAOYSA-N,3,1,0.321,98,42,456.857,3.352,6,0.392,0.74,1.0,0.26058015214858476,0.3033890754574738,0.17491947090672333,0.2597919950654513,0.24967017339455833
EOS-3-11279,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncnc4-c4cccc(C)n4)n23)cn1,RXLNZIRTUSCNIT-UHFFFAOYSA-N,3,1,0.443,7,205,453.466,2.285,5,0.411,0.7,1.0,0.46419025426632854,0.19265300527722568,0.09574395175107943,0.042320608594338976,0.19872695497224316
EOS-3-11280,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nc2)nc1,DXCCACROBUYCHV-UHFFFAOYSA-N,3,1,0.356,42,977,447.437,3.906,6,0.4,0.74,1.0,0.32641696936467685,0.35734356795284766,0.47747755465698033,0.48774929751216506,0.4122468473716675
EOS-3-11282,COCc1ncc(-c2nnc3cncc(OCc4ccnc(C#N)c4Cl)n23)cc1F,JGBALEPDOOYOCP-UHFFFAOYSA-N,3,1,0.449,90,555,425.811,2.971,4,0.463,0.69,1.0,0.6765557535467068,0.762404907134535,0.7113974367760949,0.6769926667123569,0.7068376910424234
EOS-3-11283,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,QJWQNMIEEAYXTR-UHFFFAOYSA-N,3,1,0.316,86,968,433.439,2.501,6,0.412,0.66,1.0,0.09715749434582963,0.05893187581385786,0.1341837434034679,0.13757624563086834,0.10696233979850593
EOS-3-11284,Cn1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)ncn2)n1,LTAFIMLXDRRNEJ-UHFFFAOYSA-N,3,1,0.276,99,841,437.431,1.234,6,0.395,0.67,0.952,0.07433520663422657,0.04369131656500583,0.02604345144267014,0.020397847988486054,0.041116955657597154
EOS-3-11285,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)cc1,AQXKIKMVAOATIP-UHFFFAOYSA-N,3,1,0.373,61,681,414.404,2.538,5,0.485,0.78,1.0,0.05082756493729011,0.15929340004112125,0.3241810019875266,0.29554177232540607,0.207460934822836
EOS-3-11286,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)s4)n23)cc1,FHHRIVGVUYYBIR-UHFFFAOYSA-N,3,1,0.392,52,916,471.521,3.932,6,0.403,0.79,1.0,0.22253443903776302,0.18838667671852513,0.14950140497566994,0.20994105955726133,0.19259089507230487
EOS-3-11287,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nc1,VGEQWHKWDGBRRX-UHFFFAOYSA-N,3,1,0.573,36,728,437.826,2.748,5,0.413,0.7,1.0,0.6312110204920841,0.8085120964978412,0.39131999177575216,0.4757299019943801,0.5766932526900144
EOS-3-11289,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(F)c5)ncn4)n23)cc1,RUMJJHZSEIRKRQ-UHFFFAOYSA-N,3,1,0.406,62,139,411.4,3.153,5,0.486,0.9,1.0,0.15638921252827084,0.1883952436433418,0.604859159756014,0.5731101363854431,0.38068843807826747
EOS-3-11290,Cc1ccc(-c2ccnc(-c3nnc4cncc(COc5ccc(Cl)c(C)c5)n34)c2)nn1,XAYIACBFYUPVSJ-UHFFFAOYSA-N,3,1,0.356,14,920,443.898,4.493,5,0.395,0.81,1.0,0.3871650332396683,0.3950551709958193,0.5983654307449798,0.569991775752176,0.4876443526831608
EOS-3-11291,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cc1=O,HTNFHBWHFFPLCV-UHFFFAOYSA-N,3,1,0.447,4,55,446.858,2.574,5,0.404,0.71,1.0,0.43155883763964087,0.395063737920636,0.335232335001028,0.32993797546432735,0.37294822150640805
EOS-3-11292,OCc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)ccn1,UHNWOZICZBKPMC-UHFFFAOYSA-N,3,1,0.478,97,91,428.427,3.459,5,0.414,0.78,1.0,0.5772222602974436,0.5398362003975054,0.7969638818449729,0.732463504900281,0.6616214618600507
EOS-3-11293,Cc1c(CCC(F)F)nn(C)c1Cc1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,FWAAAAVJYWNBLT-UHFFFAOYSA-N,3,1,0.4,66,334,425.443,2.721,4,0.49,0.64,0.999,0.1317593036803509,0.1156877527242821,0.13743060790898498,0.12461448838324996,0.12737303817421697
EOS-3-11294,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(F)c5)cc4F)n23)cn1,TZFBZLKWSKVCGX-UHFFFAOYSA-N,3,1,0.489,97,801,430.418,4.414,5,0.411,0.82,1.0,0.8642827770543485,0.8005619902679734,0.8603933931875813,0.8361746967308615,0.8403532143101912
EOS-3-11295,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)nc1,KNACGGJGGAVMTD-UHFFFAOYSA-N,3,1,0.325,38,787,449.453,3.85,6,0.377,0.78,1.0,0.18384620656569117,0.29355424576793915,0.5294873552189706,0.5405386882324721,0.38685662394626824
EOS-3-11296,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cc1,KXPXUMPAFLONFE-UHFFFAOYSA-N,3,1,0.325,38,787,449.453,3.85,6,0.377,0.78,1.0,0.195068878075526,0.25220169967788364,0.5464412994311562,0.5371204852306216,0.38270809060379685
EOS-3-11297,Cc1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)s4)n23)c(C2CCCO2)n1,HFUVFRWUGHHRKI-UHFFFAOYSA-N,3,1,0.254,63,66,447.524,3.362,6,0.5,0.63,0.946,0.08078610102117743,0.019027140017819202,0.0038037146186005073,0.00914947570420122,0.02819160784044959
EOS-3-11298,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)nc1,FKVGAZOEDOGPDD-UHFFFAOYSA-N,3,1,0.326,76,968,451.429,2.64,6,0.398,0.67,1.0,0.22843705023644711,0.2935628126927558,0.18107908984990748,0.2392485093550819,0.23558186553354807
EOS-3-11299,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,DUJVMPYYAXFNTE-UHFFFAOYSA-N,3,1,0.286,86,899,434.427,1.896,6,0.404,0.68,1.0,0.08738263313001166,0.055033925022274006,0.0772308272222603,0.0957525186758961,0.07884997601261051
EOS-3-11300,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)cnn2)n1,LJMRZDLIRDLQDJ-UHFFFAOYSA-N,3,1,0.247,98,342,434.427,1.896,6,0.404,0.68,0.712,0.06295833047769173,0.011967993968884929,0.03825988623123844,0.06802994996915906,0.04530404016174354
EOS-3-11301,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)nc1,LYIRJICMTGZIHU-UHFFFAOYSA-N,3,1,0.286,70,952,419.412,2.286,6,0.423,0.79,0.956,0.0021674319786169557,0.011976560893701596,0.05841786032485779,0.09576108560071277,0.04208073469947228
EOS-3-11302,Cc1cnnc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)cn2)n1,LFETVNYSKYVYSK-UHFFFAOYSA-N,3,1,0.321,85,60,438.455,1.74,5,0.432,0.62,0.997,0.1478394215612364,0.06278699198135837,0.04405969433212254,0.023653279418819822,0.06958484682338428
EOS-3-11303,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)nn1,OWYUMDUXIZURBK-UHFFFAOYSA-N,3,1,0.316,70,392,444.462,3.471,6,0.402,0.7,1.0,0.13954663833870193,0.10976800767596463,0.25815571242546775,0.2569135083270509,0.1910959666917963
EOS-3-11304,Cn1cc(-c2nn(C)cc2-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)cn1,LUGORWZXGQETQI-UHFFFAOYSA-N,3,1,0.308,98,765,437.471,2.388,6,0.416,0.65,1.0,0.029615859091220616,0.028030978000137072,0.1282982660544171,0.1083116304571311,0.07356418340072647
EOS-3-11305,N#Cc1cncc(-c2nccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,PXRYFTDQXLHOOC-UHFFFAOYSA-N,3,1,0.475,13,412,426.827,3.961,5,0.424,0.74,1.0,0.882684531560551,0.9420104859159756,0.6877698581317251,0.7216691796312795,0.8085335138098828
EOS-3-11306,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cn1,HRDXIRNWVMLBNO-UHFFFAOYSA-N,3,1,0.296,86,790,433.439,2.501,6,0.412,0.68,0.997,0.10467068741004729,0.04369988348982249,0.12559968473716673,0.12462305530806661,0.09964832773627577
EOS-3-11307,FC(F)c1cnc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)cn1,SGLKLUZGCJDQBX-UHFFFAOYSA-N,3,1,0.482,7,181,432.394,3.555,5,0.401,0.72,1.0,0.45032040298814335,0.40029812898362005,0.5919231032828456,0.5002741415941334,0.4857039442121856
EOS-3-11308,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)c1,FQKPFYLQQYVFRZ-UHFFFAOYSA-N,3,1,0.318,3,783,435.426,3.635,6,0.417,0.71,1.0,0.026129120690836817,0.17990542115002398,0.5395449249537386,0.6132033445274484,0.339695702830512
EOS-3-11309,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)nc3)n12,UGRGXNMWAALZBX-UHFFFAOYSA-N,3,1,0.287,42,693,425.387,3.433,6,0.456,0.7,0.986,0.2685987937769858,0.33261942293194435,0.4845966691796313,0.4849564800219313,0.3926928414776232
EOS-3-11311,FC(F)Oc1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)nn4)n23)cc1Cl,ZTLWQQUIDQNFIO-UHFFFAOYSA-N,3,1,0.393,50,243,453.8,3.355,5,0.394,0.73,1.0,0.46884209444177916,0.6887893221849085,0.7322921664039477,0.7610513330135015,0.6627437290110342
EOS-3-11312,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,SWBMKPVMWGJKFJ-UHFFFAOYSA-N,3,1,0.281,10,195,420.44,2.834,6,0.432,0.74,0.974,0.009175176478651223,0.01903570694263587,0.16825440339935577,0.19804160098690973,0.09862672195188815
EOS-3-11313,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cc1,UNPBRZHNQTYXHO-UHFFFAOYSA-N,3,1,0.77,27,996,447.405,3.824,5,0.371,0.79,1.0,0.8460095264203962,0.80057055719279,0.7821002672880543,0.6943749571653759,0.7807638270166541
EOS-3-11314,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c(-c2ncc(F)cn2)n1,BRWIQDDRKLVEKN-UHFFFAOYSA-N,3,1,0.329,98,882,453.445,2.583,6,0.4,0.67,1.0,0.13420087725310123,0.1972534439037763,0.12560825166198342,0.13988074840655199,0.14923583030635323
EOS-3-11315,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cc1,IJSJKPAZRGEVFH-UHFFFAOYSA-N,3,1,0.337,3,158,440.858,3.478,6,0.446,0.7,1.0,0.041892262353505585,0.2522102666027003,0.3057706805565074,0.4635134672058118,0.2658466691796313
EOS-3-11316,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)s4)n23)nc1,ORKSYXGHALOELD-UHFFFAOYSA-N,3,1,0.443,33,53,470.518,3.176,6,0.385,0.78,1.0,0.2336029059008978,0.14387293537111917,0.029375985196353916,0.03861969707353848,0.11136788088547733
EOS-3-11317,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)n1,BXWFWTVGRRUCGW-UHFFFAOYSA-N,3,1,0.342,30,220,431.463,3.711,6,0.419,0.75,1.0,0.07858440134329381,0.08757110547597834,0.2840706599958879,0.34595812487149613,0.19904607292166404
EOS-3-11318,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)nc4)n23)cc1,KFIYFCGMFSUNLZ-UHFFFAOYSA-N,3,1,0.329,38,725,432.451,3.106,6,0.418,0.68,1.0,0.10220341306284696,0.055042491947090676,0.26903570694263584,0.2628760879994517,0.1722894249880063
EOS-3-11319,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)nc4)n23)cn1,ZBNSPFIBNDCLHL-UHFFFAOYSA-N,3,1,0.279,99,286,437.431,1.234,6,0.395,0.68,1.0,0.044822150640805976,0.05505105887190734,0.021879925981769584,0.022959358508669727,0.036178123500788154
EOS-3-11320,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cn1,GWBVMFXCYMYFBV-UHFFFAOYSA-N,3,1,0.471,55,282,430.859,3.579,5,0.416,0.72,1.0,0.7752038928106367,0.7221060927969296,0.49463710506476594,0.4603522719484614,0.6130748406551985
EOS-3-11321,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(C(=O)O)cn3)n12,YOLLGXGEWGRYLZ-UHFFFAOYSA-N,3,1,0.278,50,523,426.396,2.412,5,0.445,0.65,1.0,0.18385477349050786,0.003418203001850456,0.2948307175656226,0.17062744157357276,0.16318278390788843
EOS-3-11322,FC(F)Oc1ccc(-c2nnc3cncc(Oc4nccc(-c5cccnc5)n4)n23)cn1,WOGDXVAFALPPQH-UHFFFAOYSA-N,3,1,0.402,27,412,434.366,3.432,5,0.396,0.73,1.0,0.7219775889246796,0.5777191419368104,0.6406175039407854,0.5236190117195532,0.6159833116304572
EOS-3-11323,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)n1C,MDAZBCACUIDHCI-UHFFFAOYSA-N,3,1,0.33,38,983,445.49,4.019,6,0.404,0.75,1.0,0.1950774450003427,0.07733363032006031,0.3205486258652594,0.26883010074703584,0.21544745048317457
EOS-3-11324,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(C#N)ccc5F)n34)cn2)nn1,QJYNYRGVJXTGEU-UHFFFAOYSA-N,3,1,0.452,55,283,439.414,2.937,5,0.406,0.71,1.0,0.8164879035021588,0.8085206634226578,0.5824909190596943,0.5405472551572887,0.6870116852854499
EOS-3-11325,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cc1,DSUTVWUVUVJADF-UHFFFAOYSA-N,3,1,0.359,25,866,455.873,2.883,6,0.372,0.76,1.0,0.026137687615653486,0.17566479336577343,0.18449729285175792,0.2688386676718525,0.16378461037625933
EOS-3-11326,N#Cc1ccc(F)c(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)c1,JFOBZZCNEBDSIP-UHFFFAOYSA-N,3,1,0.545,35,234,437.438,3.881,5,0.397,0.79,1.0,0.8883729696388184,0.8667671852511822,0.8478856829552464,0.832165375916661,0.8587978034404771
EOS-3-11327,COc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cn1,XGAHUQVOOXNUKG-UHFFFAOYSA-N,3,1,0.36,52,916,478.516,3.135,6,0.379,0.85,1.0,0.2365327941881982,0.08429854019601124,0.13419231032828455,0.10832019738194777,0.14083596052361044
EOS-3-11328,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)n1,JPGPQIAXEZGXMG-UHFFFAOYSA-N,3,1,0.521,65,904,428.431,3.107,5,0.406,0.74,1.0,0.8460180933452128,0.8418374340346789,0.3502501542046467,0.2955503392502227,0.5834140052086902
EOS-3-11329,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncc(COC(F)F)c4)n23)nc1,ZKVXFODFTJLOIP-UHFFFAOYSA-N,3,1,0.302,50,974,436.386,2.178,5,0.394,0.7,0.997,0.31396922760605855,0.29357137961757246,0.3913285587005688,0.3912343225275855,0.34752587211294633
EOS-3-11330,Cn1ccnc1-c1ccnc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)c1,AJHCTYQLFUXBCZ-UHFFFAOYSA-N,3,1,0.408,18,367,450.865,3.396,5,0.391,0.73,1.0,0.5633267082448085,0.48492221232266464,0.40598656706188746,0.44143650195325884,0.4739179973956548
EOS-3-11331,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnccc5F)cc4)n23)cc1,LJGNLCZUXAYPAB-UHFFFAOYSA-N,3,1,0.396,62,916,465.492,3.87,6,0.409,0.71,1.0,0.3086234665204578,0.2269549722431636,0.3951237063943527,0.4635220341306285,0.34855604482215063
EOS-3-11332,Cc1ccc(-c2nnc3cncc(CCc4ncc(-c5ccc(Cl)nn5)cn4)n23)cn1,IAIBBSSFIWYEQH-UHFFFAOYSA-N,3,1,0.383,85,290,429.875,3.18,5,0.419,0.7,1.0,0.3339387293537112,0.3950723048454527,0.14336748680693578,0.18712733877047494,0.26487646494414363
EOS-3-11333,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ncccn1,GNSMPTPYHXFGND-UHFFFAOYSA-N,3,1,0.561,4,539,433.834,4.015,5,0.413,0.75,1.0,0.8863940100061681,0.9616458775957782,0.582499485984511,0.6509235144952368,0.7703657220204235
EOS-3-11334,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5cccnc5)n4)n23)ccc1Cl,IKRBIIHJPDXGGJ-UHFFFAOYSA-N,3,1,0.573,4,539,433.834,4.015,5,0.413,0.75,1.0,0.862029675827565,0.952110890274827,0.7038585429374272,0.7324720718250977,0.8126177952162292
EOS-3-11335,Cn1cnnc1-c1ccc(F)c(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)c1,QNFITQJGTWLHOG-UHFFFAOYSA-N,3,1,0.321,98,314,452.457,3.188,6,0.405,0.7,1.0,0.14784798848605304,0.29844595983825645,0.37279830032211636,0.36866047563566584,0.29693818107052294
EOS-3-11336,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)nc1,BMBKFCYDQRDHPV-UHFFFAOYSA-N,3,1,0.56,35,161,445.433,3.851,5,0.392,0.74,1.0,0.9446833664587759,0.9268984305393736,0.6797940511274073,0.6453036118155027,0.799169864985265
EOS-3-11337,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)n(C)n1,VTKZLCIZVQOYIS-UHFFFAOYSA-N,3,1,0.294,10,195,433.479,3.748,6,0.421,0.74,0.999,0.013681378932218491,0.04370845041463916,0.28780583921595504,0.27164861901171955,0.15421107189363306
EOS-3-11338,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1,IPDXBGOWMIOKAN-UHFFFAOYSA-N,3,1,0.321,39,449,448.425,3.301,6,0.4,0.69,1.0,0.25017990542115004,0.28813138235898844,0.35766054417106435,0.44144506887807555,0.3343542252073196
EOS-3-11339,Cc1n[nH]c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)nc2)n1,PPXVTLZKSDBRAA-UHFFFAOYSA-N,3,1,0.299,86,812,433.439,2.799,6,0.445,0.68,0.986,0.09015831677061202,0.1097765746007813,0.11417140703173188,0.10191213761908026,0.10400460900555136
EOS-3-11340,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(F)cnc5OC)cc4)n23)cn1,JNXIBPJPZXSOGX-UHFFFAOYSA-N,3,1,0.373,14,319,469.48,3.346,5,0.406,0.81,1.0,0.455023644712494,0.4189054896854225,0.4390120622301419,0.29871153450757315,0.40291318278390786
EOS-3-11341,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ncn2)nc1,QLBCAUYZTUGMHL-UHFFFAOYSA-N,3,1,0.414,44,481,444.886,3.622,5,0.391,0.73,0.824,0.5888818449729285,0.5262490576382701,0.31699335206634227,0.329946542389144,0.44051769926667117
EOS-3-11342,Cn1ccnc1-c1ccc(Cc2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)cn1,QSXWCUYLOJBSAR-UHFFFAOYSA-N,3,1,0.432,85,81,451.412,3.918,5,0.389,0.75,0.828,0.582884997601261,0.6739856761017066,0.8446902199986293,0.8032605715852238,0.7262053663217052
EOS-3-11343,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(F)c(-c5ccnc(F)c5)cn4)n23)nc1,BBEINUDKMORXHW-UHFFFAOYSA-N,3,1,0.306,33,776,470.443,3.481,6,0.392,0.78,0.998,0.1838633404153245,0.21642622164347886,0.39513227331916934,0.4877578644369817,0.3207949249537386
EOS-3-11344,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)ccc1-c1nncn1C,DPOYYNZYHNREPQ-UHFFFAOYSA-N,3,1,0.625,13,209,451.849,4.18,5,0.395,0.81,1.0,0.682381262422041,0.6495699403742032,0.7295935850866972,0.6914450688780756,0.6882474641902543
EOS-3-11345,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c1,AMGJVEFNJXXPTF-UHFFFAOYSA-N,3,1,0.554,36,728,454.281,3.263,5,0.398,0.71,1.0,0.640034953053252,0.7454166952230827,0.44249880063052566,0.5700003426769926,0.5994876978959632
EOS-3-11346,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)nn1,YOFHPWYFUBFKLU-UHFFFAOYSA-N,3,1,0.506,11,132,429.871,3.918,5,0.404,0.75,1.0,0.8368857514906449,0.7839335891988212,0.39882461791515317,0.4818552532382976,0.6253748029607291
EOS-3-11347,Cn1cc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5cccc(F)c5)n34)cn2)cn1,YTYUMEPFWRVXTR-UHFFFAOYSA-N,3,1,0.337,10,151,437.442,3.579,6,0.419,0.68,1.0,0.00672503598108423,0.13278733465835105,0.5089267356589678,0.5341306284696046,0.29564243369200194
EOS-3-11348,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)cc4F)n23)cc1,JNKZPECMHYOLMY-UHFFFAOYSA-N,3,1,0.342,9,642,438.426,4.048,6,0.409,0.74,1.0,0.24746419025426633,0.2881399492838051,0.6016722637242136,0.6099736138715647,0.4368125042834624
EOS-3-11349,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1F,LCMALWVJFCULTH-UHFFFAOYSA-N,3,1,0.326,3,668,437.442,3.579,6,0.419,0.68,1.0,0.03339387293537112,0.23670413268453155,0.4739993831814132,0.5172537865807689,0.3153377938455212
EOS-3-11351,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)ccn2)c1,YNSVGSCNUBMXDN-UHFFFAOYSA-N,3,1,0.53,59,980,434.381,4.245,5,0.412,0.77,1.0,0.9223836611609897,0.8579175519155644,0.9207216777465561,0.9225121650332396,0.9058837639640875
EOS-3-11352,Fc1cc(Cl)cc(COc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)c1,OQHFRHARULGLMU-UHFFFAOYSA-N,3,1,0.459,46,16,433.834,4.015,5,0.413,0.72,1.0,0.6643050510588719,0.6548300322116373,0.8243780412583099,0.8421372764032623,0.7464126002330204
EOS-3-11353,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cc1,JWTDYMMWJMBNFC-UHFFFAOYSA-N,3,1,0.329,67,39,454.885,3.488,6,0.401,0.71,1.0,0.03340243986018779,0.18840381056815844,0.33155712425467754,0.4479130971146597,0.25031911794942086
EOS-3-11354,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4cc(-c5ccncc5)ncn4)n23)cc1,HUVRVVZSCFDSMC-UHFFFAOYSA-N,3,1,0.269,30,543,430.435,3.162,6,0.415,0.7,0.998,0.04761496813103968,0.014452402165718593,0.1845058597765746,0.2569220752518676,0.12587382633130012
EOS-3-11355,c1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)nc1,YDCOBNQTCUGBLT-UHFFFAOYSA-N,3,1,0.271,94,557,430.435,3.162,6,0.415,0.7,0.994,0.0629668974025084,0.08085463641971079,0.22584983894181346,0.23925707627989856,0.1522321122609828
EOS-3-11356,COc1cccc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)n2)c1,ZFOGTELZFHEWMK-UHFFFAOYSA-N,3,1,0.422,27,121,450.384,3.733,5,0.408,0.69,0.659,0.44779316016722637,0.5926170241929957,0.8648053594681653,0.729627852785964,0.6587108491535878
EOS-3-11357,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cn1,OBUNWLRPVLJJNQ-UHFFFAOYSA-N,3,1,0.317,39,972,450.441,3.245,6,0.402,0.72,1.0,0.18111335754917415,0.23671269960934824,0.23335446508121443,0.31747309985607564,0.24216340552395313
EOS-3-11358,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)s2)nn1,SJJXFJVZGRBTFY-UHFFFAOYSA-N,3,1,0.35,50,974,430.497,3.303,5,0.462,0.69,0.991,0.13703652936741828,0.17991398807484066,0.2767031046535536,0.13318141319991775,0.18170875882393256
EOS-3-11359,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ncn2)c1,SRQUBWOBQSYZFK-UHFFFAOYSA-N,3,1,0.411,46,395,435.81,2.805,5,0.41,0.66,0.831,0.5295815913919539,0.5035981084230005,0.39133712562538553,0.45410698375711056,0.46965595229936263
EOS-3-11360,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cc1,KFAKWVQLXJJXOC-UHFFFAOYSA-N,3,1,0.352,3,158,418.424,2.891,6,0.429,0.78,1.0,0.03205743266397094,0.04032451511205538,0.1462631073949695,0.20697690357069426,0.10640548968542252
EOS-3-11361,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cc1,GXFLNBSEIFFGGP-UHFFFAOYSA-N,3,1,0.76,48,378,411.824,3.304,4,0.525,0.81,1.0,0.8955691864848194,0.5036066753478171,0.7883027208553218,0.7635957096840518,0.7377685730930026
EOS-3-11362,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6nn[nH]n6)c5)n34)cn2)nc1,HOUVMZRISWWNSX-UHFFFAOYSA-N,3,1,0.406,6,297,450.426,1.797,6,0.394,0.71,1.0,0.47908813652251386,0.38111678431910084,0.08644883832499486,0.08799945171681173,0.2586633027208553
EOS-3-11363,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)cn2)nc1,OLOIKQSQPRDDJW-UHFFFAOYSA-N,3,1,0.602,87,930,419.445,3.465,5,0.416,0.85,1.0,0.8988760194640532,0.8831728462751011,0.26531766157220205,0.2716571859365362,0.5797559283119731
EOS-3-11364,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)nc1,NOXCIKYGXWYLRB-UHFFFAOYSA-N,3,1,0.325,70,968,451.429,2.64,6,0.372,0.7,1.0,0.19794736481392639,0.277671167157837,0.21879925981769585,0.2660458501816188,0.24011591049276954
EOS-3-11365,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnnc(Cl)c5)c4)n23)cn1,UXGFGSNUJYZYSY-UHFFFAOYSA-N,3,1,0.408,14,81,460.86,3.126,5,0.427,0.67,1.0,0.24747275717908299,0.28285415667192104,0.5565245699403742,0.5886848057021452,0.4188840723733809
EOS-3-11366,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)on4)n23)cc1F,VVLJCPAHSUOSLO-UHFFFAOYSA-N,3,1,0.479,36,788,449.406,1.652,5,0.41,0.7,1.0,0.4432269892399424,0.4003066959084367,0.11125008566924817,0.07163662531697622,0.25660509903365086
EOS-3-11367,N#Cc1cccc(-c2ccc(-c3nnc4cncc(Cc5ccc(F)c(F)c5)n34)cc2F)n1,IPQVQFHXFNURPA-UHFFFAOYSA-N,3,1,0.432,57,358,442.404,4.733,5,0.402,0.8,1.0,0.5138098828044685,0.7583955863203344,0.9715235419093962,0.9729970529778631,0.8041815160030157
EOS-3-11368,c1ccc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)cn2)nc1,ALQHGPUBWUOIPH-UHFFFAOYSA-N,3,1,0.273,86,780,419.412,2.286,6,0.423,0.74,0.999,0.0025272428209170035,0.006579398259200877,0.1495099719004866,0.15467582756493728,0.07832311013638543
EOS-3-11369,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccccn6)ncn5)n34)nc2)n1C,OCUBZSCWJNUPAD-UHFFFAOYSA-N,3,1,0.303,76,368,446.478,3.414,6,0.405,0.72,1.0,0.07859296826811048,0.025623672126653417,0.1909738880131588,0.16024432869577138,0.11385871427592352
EOS-3-11370,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nc2)nn1,NQFUQKXCFJJMDD-UHFFFAOYSA-N,3,1,0.323,70,392,432.451,3.106,6,0.418,0.72,0.999,0.04762353505585635,0.034044959221437875,0.27257384689191966,0.2688472345966692,0.15577239394147077
EOS-3-11371,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)cn2)nn1,KHBXVAQRZXAWQR-UHFFFAOYSA-N,3,1,0.255,70,165,444.462,3.471,6,0.402,0.71,0.989,0.06854396545815913,0.07019738194777603,0.30935165512987456,0.29251764786512235,0.18515266260023303
EOS-3-11372,Cc1ccnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)c1F,YQKFIBIOABJWST-UHFFFAOYSA-N,3,1,0.412,33,62,456.441,2.769,5,0.412,0.71,1.0,0.5633352751696251,0.2726595161400864,0.402388458638887,0.292526214789939,0.3827273661846344
EOS-3-11373,Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)nn1,SZNYVIYBFJGFEA-UHFFFAOYSA-N,3,1,0.343,38,193,432.451,3.199,6,0.417,0.7,1.0,0.00016277157151668836,0.017425125077102324,0.18108765677472413,0.2186279213213625,0.10432586868617641
EOS-3-11374,Fc1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cn2)ccn1,WKUBUPYEDBVUIN-UHFFFAOYSA-N,3,1,0.342,86,989,448.425,3.301,6,0.374,0.74,1.0,0.2984630936878898,0.3573521348776643,0.3315656911794942,0.3427540949900624,0.3325337536837777
EOS-3-11375,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cc(F)ccn5)cnn4)n23)nc1,YBUOPQJETHKRPL-UHFFFAOYSA-N,3,1,0.311,33,432,441.43,2.594,5,0.441,0.61,0.811,0.22254300596257967,0.14388150229593585,0.2188078267425125,0.19521451579740937,0.19511171269960934
EOS-3-11376,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,NFMFDTBQNFPFFQ-UHFFFAOYSA-N,3,1,0.314,64,365,429.447,3.767,6,0.417,0.74,1.0,0.12584812555685013,0.04371701733945583,0.32418956891234324,0.40630354328010415,0.22501456377218831
EOS-3-11377,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nn2)n1,SRTUNBBFVPPVQI-UHFFFAOYSA-N,3,1,0.314,38,270,437.492,3.772,6,0.414,0.72,1.0,0.034567541635254606,0.09052669453772874,0.21535535604139538,0.21863648824617915,0.1397715201151395
EOS-3-11378,Cn1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)cc5Cl)n34)cn2)n1,UQZIAZNWNNDIPC-UHFFFAOYSA-N,3,1,0.427,13,374,447.846,2.526,5,0.433,0.64,0.551,0.4963504900280995,0.46332499485984513,0.2653262284970187,0.22745185388253034,0.3631133918168734
EOS-3-11379,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccncc4)n23)c(F)c1,NYGIVONCNRFBII-UHFFFAOYSA-N,3,1,0.325,94,615,450.441,3.245,6,0.402,0.69,1.0,0.24447433349324926,0.2828627235967377,0.3913456925502022,0.4256133918168734,0.3360740353642656
EOS-3-11380,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccnnc4-c4ccccc4)n23)c(F)c1,DHJZJDAPVYMMIK-UHFFFAOYSA-N,3,1,0.343,25,791,450.441,3.245,6,0.402,0.69,1.0,0.23654136111301488,0.30837502570077446,0.28407922692070453,0.39401857309300253,0.3057535467068741
EOS-3-11381,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nccc(-c4cnccn4)n3)n12,HKFUMKRBXBZDEE-UHFFFAOYSA-N,3,1,0.523,73,540,434.822,3.41,5,0.414,0.72,1.0,0.7782965526694537,0.9363049139880748,0.5016277157151668,0.5700089096018094,0.6965595229936262
EOS-3-11382,Cc1noc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)ccn2)n1,HASPUCCYQXGBKM-UHFFFAOYSA-N,3,1,0.311,42,608,433.435,3.669,6,0.41,0.73,1.0,0.21994722774312933,0.14028339387293537,0.20850181618806113,0.19522308272222602,0.19098888013158796
EOS-3-11383,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)nn1,FYXUVTSBUZQEJN-UHFFFAOYSA-N,3,1,0.368,3,74,449.453,3.85,6,0.403,0.74,1.0,0.18665615790555823,0.30339764238229044,0.42416558152285655,0.5205349187855527,0.3586885751490645
EOS-3-11384,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)nc2)nn1,DWSJCNRXFNSSFF-UHFFFAOYSA-N,3,1,0.321,32,301,449.453,3.85,6,0.403,0.74,0.997,0.05411726406689055,0.1593019669659379,0.5160801178808855,0.5634380782674251,0.3232343567952848
EOS-3-11385,Cn1cnnc1-c1cc(F)c(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)cn1,DLNGPGWOFFBJNC-UHFFFAOYSA-N,3,1,0.316,3,339,449.453,3.85,6,0.403,0.74,1.0,0.21432732506339525,0.27266808306490303,0.42018196148310605,0.47863408950723046,0.3464528647796587
EOS-3-11386,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)cn4)n23)cn1,IUDCYNFOIXAPJS-UHFFFAOYSA-N,3,1,0.321,64,72,449.453,3.85,6,0.403,0.74,1.0,0.17814063463779042,0.2420927283942156,0.4312247275717908,0.4697073538482626,0.3302913611130149
EOS-3-11387,Fc1cc(F)c(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)cc1F,YBSKUQJHJBIPKR-UHFFFAOYSA-N,3,1,0.323,85,575,419.37,3.651,5,0.414,0.82,0.995,0.40657768487423757,0.5216657528613529,0.89986121581797,0.8962716743197862,0.6810940819683367
EOS-3-11388,Cc1cnc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)cn1,IVKHPKWMFHAMRH-UHFFFAOYSA-N,3,1,0.44,46,915,431.406,3.809,5,0.418,0.7,1.0,0.7575902953875677,0.6018607360701802,0.7323007333287643,0.6970135700089096,0.6971913336988554
EOS-3-11389,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnn5)n4C)n23)cc1,DKDKCUNILYVGPI-UHFFFAOYSA-N,3,1,0.319,8,890,436.443,1.839,6,0.406,0.67,1.0,0.054125830991707216,0.030746693167020767,0.01838462065656912,0.023661846343636488,0.0317297477897334
EOS-3-11390,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)c5)n34)nc2)nn1,KRWZJFWPRDZZLJ-UHFFFAOYSA-N,3,1,0.286,98,866,436.443,1.839,6,0.406,0.67,1.0,0.012876087999451717,0.023319169350969775,0.05657597148927421,0.05848639572339113,0.03781440614077171
EOS-3-11391,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)ncn2)cn1,UJNNNJFAIFPBFO-UHFFFAOYSA-N,3,1,0.293,98,866,436.443,1.839,6,0.406,0.67,1.0,0.05583064903022411,0.0437255842642725,0.0889932149955452,0.08269652525529436,0.06781149338633405
EOS-3-11392,COc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)c5)cn4)n23)cc1,ORLNJQAJBSPONB-UHFFFAOYSA-N,3,1,0.554,1,210,444.882,4.489,5,0.381,0.81,1.0,0.8749657323007334,0.8579261188403811,0.7062487149612775,0.6770012336371736,0.7790354499348913
EOS-3-11393,COc1cc(-c2nnc3cncc(OCc4cc(C(=O)NCC(F)F)ncn4)n23)ccc1Cl,RNFIPUIXUPOMDP-UHFFFAOYSA-N,3,1,0.474,68,12,475.843,2.817,4,0.413,0.76,1.0,0.7034644643958604,0.7221146597217463,0.5731272702350764,0.45091152080049346,0.6124044787882942
EOS-3-11394,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ncccc5-c5ccnnc5)n34)n2)cc1,MQTIUIXAGBUXCO-UHFFFAOYSA-N,3,1,0.299,10,871,436.414,3.03,6,0.414,0.67,0.999,0.014341032143101912,0.11569631964909875,0.3021811390583236,0.3940271400178192,0.20656140771708587
EOS-3-11395,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cc2)nc1,CMCWTYNBQLSHAA-UHFFFAOYSA-N,3,1,0.313,42,620,436.414,3.03,6,0.414,0.67,1.0,0.03084949626482078,0.12245562332944966,0.3461808649167295,0.37842676992666713,0.21947818860941676
EOS-3-11396,Fc1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1,LLUFHWDWTASDMX-UHFFFAOYSA-N,3,1,0.408,3,867,447.437,3.906,6,0.4,0.72,1.0,0.2762661914879035,0.43236412857240764,0.477486121581797,0.5536803509012405,0.43494919813583716
EOS-3-11397,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)nnc1Cl,ICCBXPHVKWRUEQ-UHFFFAOYSA-N,3,1,0.411,18,779,449.837,2.847,5,0.385,0.7,1.0,0.7369440065793983,0.7584041532451511,0.2258584058666301,0.2864351312452882,0.501910424234117
EOS-3-11398,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2F)nc1,LQFCTVQMKAIRIH-UHFFFAOYSA-N,3,1,0.705,91,876,444.445,4.456,5,0.385,0.8,1.0,0.9682938112535124,0.9626225070248784,0.7821088342128709,0.7636042766088684,0.8691573572750326
EOS-3-11399,Cc1nc(OCc2ccccc2F)nc(Oc2cncc3nnc(-c4ccccc4)n23)n1,SCKOPEAUTLXSQD-UHFFFAOYSA-N,3,1,0.462,1,700,429.415,3.795,5,0.402,0.8,1.0,0.8988845863888698,0.6986841203481599,0.3315742581043109,0.28644369817010484,0.5538966657528613
EOS-3-11400,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)c(F)c1,WHUBGIJFZKMRAC-UHFFFAOYSA-N,3,1,0.534,37,353,433.422,3.487,5,0.408,0.71,1.0,0.8393615927626619,0.7795901583167706,0.6197741758618326,0.5918802686587622,0.7076515489000068
EOS-3-11401,Cn1nc(-c2cccs2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,KLTSOCHJKWHHFS-UHFFFAOYSA-N,3,1,0.308,30,979,436.504,4.377,6,0.408,0.8,0.791,0.05583921595504078,0.08430710712082791,0.11728976766499898,0.20094578849976014,0.11459546981015695
EOS-3-11402,Cc1nnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)s1,GNRACFIHPUSODC-UHFFFAOYSA-N,3,1,0.4,63,306,409.45,2.573,5,0.544,0.88,1.0,0.15362209581248715,0.18841237749297512,0.021888492906586253,0.0584949626482078,0.10560448221506408
EOS-3-11403,CC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cn(C)nn5)cn4)n23)cc1,INNUUZIHRQFRJC-UHFFFAOYSA-N,3,1,0.477,51,943,427.428,2.158,5,0.375,0.79,1.0,0.3188438078267425,0.23179528476458092,0.11417997395654855,0.05273798917140703,0.17938926392981974
EOS-3-11404,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(C#N)c(Cl)c5)n34)c(F)c2)n1,JVJNVTKIYRBPNW-UHFFFAOYSA-N,3,1,0.314,96,478,430.834,3.918,5,0.43,0.76,1.0,0.25272428209170034,0.37643067644438355,0.830049345486944,0.8458981563977794,0.5762756151052018
EOS-3-11406,CCn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)n1,YTWUALGARPTEFA-UHFFFAOYSA-N,3,1,0.297,9,98,435.451,3.787,6,0.402,0.75,1.0,0.12035672674936605,0.10978514152559797,0.21881639366732916,0.209949626482078,0.16472697210609277
EOS-3-11407,Cc1cc(-c2ncc(-c3nnc4cncc(-c5nnn(-c6ccc(F)cc6)n5)n34)cn2)ccn1,WOGOXYWIZLHFBT-UHFFFAOYSA-N,3,1,0.327,10,952,451.429,2.734,6,0.398,0.69,1.0,0.01693681036255226,0.11902028647796586,0.14627167431978616,0.1952316496470427,0.11936510520183675
EOS-3-11408,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(CO)nc5)cnn4)n23)cc1F,AXMXABMRIDSVFY-UHFFFAOYSA-N,3,1,0.309,74,768,456.441,2.301,5,0.412,0.68,1.0,0.2902388458638887,0.23180385168939757,0.5051230210403673,0.4097303132067713,0.35922400795010623
EOS-3-11409,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(F)cc(C(F)(F)F)c4)n23)cc1F,QTCAHMRUZMTCLN-UHFFFAOYSA-N,3,1,0.4,66,685,473.405,4.571,5,0.431,0.82,1.0,0.4315674045644575,0.582962099924611,0.9718747858268796,0.9674970872455624,0.7384753443903775
EOS-3-11410,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccn[nH]5)cn4)n23)cc1,DPXIKISKRBIKRY-UHFFFAOYSA-N,3,1,0.307,38,882,420.44,3.039,6,0.466,0.72,1.0,0.0971660612706463,0.07384689191967651,0.2913268453156055,0.2836937153039545,0.1865083784524707
EOS-3-11411,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncc(Cl)n5)c4)n23)c(F)c1,LUWOSZWYKHCYAY-UHFFFAOYSA-N,3,1,0.345,74,450,475.875,3.119,6,0.415,0.78,0.999,0.03206599958878761,0.20658282502912753,0.2403707765060654,0.37508566924816666,0.2135263175930368
EOS-3-11412,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccccn4)n23)cc1,FISNUCGTGSGKHH-UHFFFAOYSA-N,3,1,0.5,89,731,438.451,2.582,5,0.43,0.66,1.0,0.46885066136659587,0.22156637653347955,0.1554725515728874,0.0880080186416284,0.2334744020286478
EOS-3-11413,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)cn1,PSEOHEDDWWWHBA-UHFFFAOYSA-N,3,1,0.467,92,860,427.428,1.66,5,0.432,0.68,1.0,0.29024741278870536,0.15553252004660406,0.10882564594613117,0.054125830991707216,0.15218285244328694
EOS-3-11414,CNC(=O)c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(OC)c4)n23)n1,WWZRJPDFHSHMRZ-UHFFFAOYSA-N,3,1,0.526,1,61,467.489,3.196,5,0.388,0.77,1.0,0.4432355561647591,0.18842094441779178,0.27258241381673637,0.13318998012473443,0.25935722363100544
EOS-3-11415,COc1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1nccc(C)n1,TVMBQXURZWWTTB-UHFFFAOYSA-N,3,1,0.505,49,159,457.469,3.721,5,0.365,0.81,1.0,0.7838307861010212,0.6066582139675142,0.33158282502912756,0.2538808169419505,0.49398816050990335
EOS-3-11416,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncc(F)c5)n4)n23)cc1,IDFDHLORGPVWMV-UHFFFAOYSA-N,3,1,0.418,14,357,459.872,3.731,5,0.428,0.67,1.0,0.3112706462888082,0.28814851620862175,0.6283668014529504,0.642305188129669,0.46752278802001235
EOS-3-11417,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cncnn5)c4)n23)cc1,UGLIGSTZAUXAOH-UHFFFAOYSA-N,3,1,0.622,36,226,449.381,2.614,5,0.366,0.71,1.0,0.8883815365636352,0.7267322321979303,0.6495185388253033,0.5855835789185114,0.712553971626345
EOS-3-11418,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)nn5C)n34)cn2)nn1,WYHYYARDTPOISY-UHFFFAOYSA-N,3,1,0.33,30,945,446.478,3.414,6,0.405,0.69,0.995,0.05241244602837365,0.087579672400795,0.07723939414707696,0.09180316633541225,0.07725866972791447
EOS-3-11419,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)c2)n1,SRJXDYDHJXLEOY-UHFFFAOYSA-N,3,1,0.545,89,637,473.472,2.26,5,0.364,0.78,1.0,0.40877938455212115,0.11570488657391542,0.14628024124460284,0.08982420670276198,0.19014717976835033
EOS-3-11420,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nn4)n23)cn1,AUQPPPHCDUSIHQ-UHFFFAOYSA-N,3,1,0.489,68,127,417.311,1.068,4,0.503,0.72,1.0,0.4688592282914125,0.44100815571242546,0.272590980741553,0.12463162223288328,0.3267724967445686
EOS-3-11421,OCc1ncc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cn1,PXUSSKGTPSWVDX-UHFFFAOYSA-N,3,1,0.467,2,884,447.405,2.993,5,0.423,0.74,1.0,0.7034730313206772,0.6209906791857994,0.7821174011376876,0.7324806387499143,0.7097654375985196
EOS-3-11422,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)c(F)nn1,UQWIWFNGNKDFRJ-UHFFFAOYSA-N,3,1,0.461,97,91,431.406,3.809,5,0.418,0.76,1.0,0.7950363237612227,0.7624134740593517,0.7192875745322459,0.6998235213487767,0.7441402234253993
EOS-3-11423,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5ncccn5)cn4)n23)c(F)c1,PDLWYFXNDXZYCH-UHFFFAOYSA-N,3,1,0.53,73,969,418.367,2.896,5,0.429,0.79,1.0,0.8061476252484409,0.8752998423685834,0.4636248372284285,0.48496504694674797,0.6575093379480502
EOS-3-11424,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5cccnn5)n34)n2)c1,MQGQOALZTDWZJZ-UHFFFAOYSA-N,3,1,0.271,39,871,437.402,2.425,6,0.409,0.66,0.012,0.004523336303200603,0.08431567404564458,0.0982797614968131,0.18455726132547462,0.09291900829278323
EOS-3-11425,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)c(F)c1,UKLDKVBXTJUJPM-UHFFFAOYSA-N,3,1,0.318,10,289,438.43,2.974,6,0.417,0.66,1.0,0.05242101295319032,0.23181241861421426,0.22958501816188062,0.2955589061750394,0.20234433897608112
EOS-3-11426,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nc5)n34)cn2)o1,WGUQKUBWDRCNBL-UHFFFAOYSA-N,3,1,0.313,70,899,436.439,3.007,6,0.41,0.7,1.0,0.10718936330614763,0.0702059488725927,0.12003975053114933,0.09769721060927969,0.09878306832979233
EOS-3-11427,Cn1nnnc1-c1ccc(F)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,SGYRYRQXEWUQHM-UHFFFAOYSA-N,3,1,0.653,43,402,436.838,3.353,5,0.417,0.73,1.0,0.87497429922555,0.9269069974641903,0.5294959221437873,0.6509320814200534,0.7455773250633952
EOS-3-11428,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,HDABXULLVBKNQK-UHFFFAOYSA-N,3,1,0.382,8,474,432.451,3.106,6,0.418,0.7,1.0,0.0807946679459941,0.06664210814885889,0.09338804742649578,0.13988931533136864,0.09517853471317936
EOS-3-11429,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)c1,ZCYYEZFATHHFLL-UHFFFAOYSA-N,3,1,0.286,64,972,432.451,3.106,6,0.418,0.7,1.0,0.06644506887807552,0.011985127818518265,0.13123672126653416,0.18456582825029128,0.0985581865533548
EOS-3-11430,Cn1cc(-c2cncc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)c2)nn1,IIYXAVCGHRBVRS-UHFFFAOYSA-N,3,1,0.32,94,342,432.451,3.106,6,0.418,0.7,0.987,0.057638270166541015,0.021143170447536153,0.24037934343088205,0.27777397025563705,0.14923368857514907
EOS-3-11431,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nn2)n1,HZNKRSNTBMMLTF-UHFFFAOYSA-N,3,1,0.348,98,882,437.427,2.402,6,0.404,0.68,1.0,0.10719793023096429,0.05894044273867453,0.04256048248920567,0.03979336577342197,0.06212305530806661
EOS-3-11433,COc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,GHFZFLXBUVIDNV-UHFFFAOYSA-N,3,1,0.33,10,952,448.45,2.9,6,0.392,0.72,1.0,0.10221197998766363,0.09053526146254541,0.1283068329792338,0.13319854704955109,0.11356315536974848
EOS-3-11434,Fc1cccc(-c2ccncc2-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)c1,LKQYSIFXERRZLB-UHFFFAOYSA-N,3,1,0.333,10,927,437.402,2.425,6,0.409,0.67,0.998,0.008438420944417793,0.15154033308203688,0.1462888081694195,0.26605441710643546,0.1430804948255774
EOS-3-11435,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)nc1,KFTMEZHCRFCJFT-UHFFFAOYSA-N,3,1,0.295,70,392,430.435,3.162,6,0.415,0.71,0.998,0.09237715029812898,0.04373415118908917,0.16826297032417242,0.23619868412034817,0.13514323898293468
EOS-3-11436,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc(=O)n2C)nn1,GKZIEVBMFUNXLM-UHFFFAOYSA-N,3,1,0.533,4,677,444.43,2.369,5,0.406,0.71,0.974,0.33866767185251184,0.357360701802481,0.30218970598314027,0.27468131039682,0.31822484750873825
EOS-3-11438,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)ccc1-c1cc[nH]n1,BCICXOYFBLOMEJ-UHFFFAOYSA-N,3,1,0.321,9,98,435.426,3.84,6,0.448,0.69,1.0,0.29847166061270647,0.332627989856761,0.7038671098622439,0.7242649578507299,0.5148079295456103
EOS-3-11439,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(Cl)c(F)cc4C)n23)cn1,WPRPPBBBLUKVDA-UHFFFAOYSA-N,3,1,0.458,90,555,427.827,2.621,4,0.488,0.61,1.0,0.5422435062709889,0.5262576245630869,0.29483928449043934,0.23332019738194779,0.3991651531766158
EOS-3-11440,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(CO)cn5)n34)c2)cs1,OVKPGIHRBQGFAD-UHFFFAOYSA-N,3,1,0.517,1,92,430.493,3.69,5,0.439,0.78,1.0,0.38481769583990133,0.3764392433692002,0.4567370296758276,0.3396014666575286,0.38939885888561443
EOS-3-11441,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nnn(C)n5)cn4)n23)cc1,SNJKSWAXBRKVBR-UHFFFAOYSA-N,3,1,0.341,74,918,413.405,0.798,5,0.452,0.81,1.0,0.13420944417791789,0.030755260091837433,0.018393187581385785,0.00727331916935097,0.04765780275512302
EOS-3-11442,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nn4)cc3)n12,QSVWZAJQGGLRLB-UHFFFAOYSA-N,3,1,0.316,8,474,450.441,3.245,6,0.402,0.7,0.992,0.1670721677746556,0.2471814817353163,0.2121256253855116,0.28645226509492155,0.22820788499760125
EOS-3-11443,CC1(NC(=O)c2ccc(-c3nnc4cncc(C(F)c5ncc(F)cn5)n34)cc2)CCOCC1,FWMVNRQZHJPVAJ-UHFFFAOYSA-N,3,1,0.404,63,334,465.464,3.078,5,0.483,0.68,1.0,0.19795593173874307,0.10979370845041464,0.11418854088136522,0.17063600849838942,0.1481435473922281
EOS-3-11444,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccnc(-c6cccnn6)c5)n34)nn2)n1,BUWICEUNFDIOEG-UHFFFAOYSA-N,3,1,0.312,10,887,433.439,2.594,6,0.412,0.7,0.958,0.0007710232335001028,0.006013981221300802,0.10883421287094784,0.11775238160509903,0.05834289973271194
EOS-3-11446,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nn3)n12,GSLMVDVLVQSMNA-UHFFFAOYSA-N,3,1,0.456,54,411,448.849,3.452,5,0.389,0.72,0.919,0.7156808991844288,0.6986926872729765,0.365070934137482,0.46036083887327806,0.5599513398670413
EOS-3-11447,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)cn3)n12,QCIVEQRGAAEREB-UHFFFAOYSA-N,3,1,0.43,18,262,448.849,3.452,5,0.389,0.72,1.0,0.7723939414707697,0.8048711534507573,0.4059951339867041,0.4603694057980947,0.6109074086765814
EOS-3-11448,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cc(-c5nnco5)ncn4)n23)cc1,BXFLVAILPSMERL-UHFFFAOYSA-N,3,1,0.338,94,566,438.386,2.894,6,0.404,0.69,0.986,0.290255979713522,0.36189260503049825,0.280352614625454,0.35244328695771365,0.321236121581797
EOS-3-11449,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)cn1,KFNNQXCADWFMKP-UHFFFAOYSA-N,3,1,0.303,99,681,457.408,2.508,6,0.396,0.67,0.671,0.05584778287985745,0.2318209855390309,0.27671167157837023,0.3459666917963128,0.22758678294839282
EOS-3-11450,Cc1csc(COc2cncc3nnc(-c4cccc(-c5cccc(CO)n5)c4)n23)n1,YOIFHEAMQUEJQE-UHFFFAOYSA-N,3,1,0.483,1,92,430.493,3.69,5,0.439,0.79,1.0,0.38937529984236857,0.39508087177026935,0.2840877938455212,0.23040744294428073,0.32473785210061
EOS-3-11451,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)nn1,QLUPAEOCYWZTCJ-UHFFFAOYSA-N,3,1,0.597,27,412,448.393,3.74,5,0.383,0.74,1.0,0.7893478856829552,0.7925176478651224,0.6373363717360017,0.5405558220821054,0.6899394318415462
EOS-3-11452,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(C(=O)c4ccc(Cl)c(Cl)c4)n23)cc1,UNDSDABJVKTKCN-UHFFFAOYSA-N,3,1,0.495,66,646,476.27,4.324,4,0.419,0.82,1.0,0.6671492700980056,0.804879720375574,0.9031937495716538,0.9048471660612707,0.8200174765266259
EOS-3-11453,N=c1ncc(-c2cc(F)cc(-c3nnc4cncc(Cc5ccc(F)c(F)c5)n34)c2)n[nH]1,UCJAFRHWGGJBJA-UHFFFAOYSA-N,3,1,0.358,45,358,434.385,3.064,5,0.452,0.67,1.0,0.3188523747515592,0.4143136179836886,0.8633404153245151,0.864531217874032,0.6152594064834488
EOS-3-11454,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1,DMIAYENUPLJHFB-UHFFFAOYSA-N,3,1,0.32,98,882,422.416,1.829,6,0.45,0.68,1.0,0.09959906791857995,0.07385545884449318,0.062512850387225,0.0697776026317593,0.07643624494551436
EOS-3-11455,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c2)n1,JIZFQCANBOHOBG-UHFFFAOYSA-N,3,1,0.595,43,258,434.41,3.498,5,0.404,0.76,1.0,0.7752124597354534,0.5169882119114523,0.6987526557466932,0.6423137550544856,0.6583167706120211
EOS-3-11456,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(Cl)cn5)cn4)n23)cn1,KUUWGURBWPLUSU-UHFFFAOYSA-N,3,1,0.41,85,290,428.887,3.785,5,0.42,0.73,1.0,0.3264255362894935,0.4233088890411898,0.3315913919539442,0.3491878555273799,0.35762841820300184
EOS-3-11457,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1F,NCURNNRJEMJBMA-UHFFFAOYSA-N,3,1,0.551,90,636,410.384,2.446,4,0.525,0.84,1.0,0.6643136179836886,0.3811253512439175,0.5464498663559728,0.4667346309368789,0.5146558666301144
EOS-3-11458,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)cc1,AXOOWLSVOJAUKG-UHFFFAOYSA-N,3,1,0.547,97,943,424.399,3.233,5,0.395,0.77,1.0,0.9388578575834419,0.9251165101775067,0.7164690562675622,0.6857994654238915,0.8165607223631006
EOS-3-11459,Cc1ncc(-c2ncc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)s2)nn1,DLAUJJBZNGSBAI-UHFFFAOYSA-N,3,1,0.529,89,707,445.468,2.086,5,0.415,0.68,1.0,0.4336834349941745,0.2164347885682955,0.04111267219518881,0.01906997464190254,0.17757521759989034
EOS-3-11460,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5ccncc5)ncn4)n23)cc1,WUFYUUHZDYCOQO-UHFFFAOYSA-N,3,1,0.309,64,449,447.437,3.906,6,0.4,0.73,0.996,0.24448290041806592,0.31353231444040847,0.46017236652731136,0.5341391953944212,0.38808169419505173
EOS-3-11461,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)cc1,WXMFRLMPNPPDFG-UHFFFAOYSA-N,3,1,0.31,32,543,447.437,3.906,6,0.4,0.73,0.999,0.19508601192515934,0.2984545267630731,0.48819477760263175,0.5948615584949627,0.3941492186964567
EOS-3-11462,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)nc4)n23)c1,PMISWOFYUNZMKN-UHFFFAOYSA-N,3,1,0.338,64,449,447.437,3.906,6,0.4,0.73,1.0,0.2444914673428826,0.33762250702487834,0.43514837913782467,0.5071019806730176,0.3810910835446508
EOS-3-11463,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,PQFROSACPGMGLW-UHFFFAOYSA-N,3,1,0.522,87,779,433.863,2.652,5,0.402,0.71,1.0,0.6400435199780686,0.6446096909053526,0.14951853882530328,0.18713590569529162,0.40532691385100406
EOS-3-11464,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)cc1,LGQUSZQALZDKRY-UHFFFAOYSA-N,3,1,0.315,38,42,433.479,3.654,6,0.421,0.73,1.0,0.10467925433486396,0.05505962579672401,0.372806867246933,0.31444040847097526,0.21174653896237405
EOS-3-11465,Cc1cnc(-c2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2C)cn1,JGEZYMRYGNVHBP-UHFFFAOYSA-N,3,1,0.304,8,342,447.466,2.809,6,0.401,0.7,0.934,0.06121924473990816,0.04374271811390583,0.030438283873620724,0.050227880200123365,0.046407031731889516
EOS-3-11466,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)cn2)cn1,IVTCUAILABMKSX-UHFFFAOYSA-N,3,1,0.282,99,899,435.455,2.444,6,0.414,0.66,1.0,0.040478719758755395,0.040333082036872046,0.14337605373175244,0.12670481803851688,0.08772316839147419
EOS-3-11467,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c(Cl)c2)cn1,HUIIBZQAADNYRR-UHFFFAOYSA-N,3,1,0.518,16,772,435.85,3.958,5,0.389,0.79,1.0,0.6143256116784319,0.7034901651703105,0.8300579124117606,0.8074240970461243,0.7388244465766568
EOS-3-11468,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,YMDUGMHFRTVPND-UHFFFAOYSA-N,3,1,0.281,86,421,433.439,2.501,6,0.412,0.7,0.992,0.05585634980467411,0.025632239051470083,0.060465355356041396,0.08801658556644507,0.05749263244465767
EOS-3-11469,Cc1cc(-c2nc(-c3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)ccc2F)ccn1,HVRYCTUUSGKFPT-UHFFFAOYSA-N,3,1,0.36,62,139,471.471,4.062,5,0.401,0.85,1.0,0.23654992803783154,0.19726201082859296,0.5160886848057021,0.43201288465492427,0.3454783770817627
EOS-3-11470,CNC(=O)c1ccc(-c2nnc3cncc(COc4ncc(-c5cnnnc5C)cc4F)n23)cn1,JWLGBDCSWQTWKQ-UHFFFAOYSA-N,3,1,0.346,85,290,472.444,1.819,5,0.388,0.76,1.0,0.40431601672263723,0.3523404838599136,0.13124528819135084,0.06470598314029197,0.23815194297854841
EOS-3-11473,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)cc2)n1C,GUDFKSVGCPXBTH-UHFFFAOYSA-N,3,1,0.357,9,641,434.463,4.217,6,0.41,0.79,1.0,0.15363066273730383,0.09680625042834624,0.2510794325269001,0.24491981358371598,0.18660903981906654
EOS-3-11474,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5cccc(F)c5)ncn4)n23)n1,YFTUJRVOTDAUPZ-UHFFFAOYSA-N,3,1,0.453,44,130,427.443,3.712,5,0.408,0.79,0.994,0.6339781372078679,0.5723648139263929,0.43902062915495854,0.43529401685970803,0.5201643992872319
EOS-3-11475,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)n1,QNUZZCZIQJWRPS-UHFFFAOYSA-N,3,1,0.62,36,258,419.836,2.609,5,0.427,0.75,1.0,0.7281200740182304,0.7962185593859228,0.2085103831128778,0.28370228222877114,0.5041378246864505
EOS-3-11476,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnnn6C)cc5)n34)nn2)cn1,FLJRBSGEDDBELW-UHFFFAOYSA-N,3,1,0.297,98,63,435.455,2.444,6,0.414,0.67,1.0,0.030858063189637446,0.030763827016654102,0.19098245493797547,0.17350592831197315,0.10652756836406004
EOS-3-11478,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)[nH]2)nn1,KTXFQTPELMKGEF-UHFFFAOYSA-N,3,1,0.306,86,407,454.845,2.539,6,0.421,0.7,0.382,0.20337879514769377,0.2984630936878898,0.11419710780618189,0.189937290110342,0.20149407168802685
EOS-3-11479,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)cn5)n34)cn2)s1,UIWXDEBZXYKNEM-UHFFFAOYSA-N,3,1,0.268,70,72,450.491,3.532,6,0.397,0.74,1.0,0.04763210198067302,0.0998218079638133,0.09128915084641218,0.11310054142964841,0.08796090055513672
EOS-3-11480,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)nn1,XBDGDSYTCPHTAH-UHFFFAOYSA-N,3,1,0.38,33,53,468.481,1.848,6,0.379,0.77,0.893,0.08739120005482832,0.058949009663491196,0.03291412514563772,0.031003700911520802,0.052564508943869506
EOS-3-11481,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cnccn5)n34)cc2)cn1,ZGLMEEWFTNWIGM-UHFFFAOYSA-N,3,1,0.28,42,50,431.463,3.711,6,0.419,0.72,1.0,0.07059146048934274,0.04752073195805634,0.41274587074223834,0.4031766157220204,0.23350866972791445
EOS-3-11482,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnn5)nc4)n23)cn1,RZOLDQNARWLYQF-UHFFFAOYSA-N,3,1,0.337,85,976,425.416,0.779,5,0.428,0.67,1.0,0.1395552052635186,0.0437512850387225,0.023867452539236517,0.010614419847851416,0.05444709067233226
EOS-3-11483,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccsc5)n4)n23)cc1,CMRKOQCYLPPWAR-UHFFFAOYSA-N,3,1,0.436,89,408,469.53,3.781,6,0.386,0.8,1.0,0.37331231581111646,0.1631313823589884,0.14629737509423618,0.16025289562058803,0.21074849222123226
EOS-3-11484,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)ccn1,VTWGULUNIOEMQF-UHFFFAOYSA-N,3,1,0.543,35,578,429.871,3.918,5,0.378,0.8,1.0,0.77522102666027,0.8860256322390515,0.6077633472688644,0.6159790281680488,0.7212472585840586
EOS-3-11485,Clc1cccc(CCOc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)n1,MURNFNMYMMTAEC-UHFFFAOYSA-N,3,1,0.517,11,848,429.871,3.918,5,0.378,0.8,1.0,0.7752295935850867,0.8124614488383249,0.5016362826399835,0.5371290521554383,0.6566140943047084
EOS-3-11486,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)nn5C)nc(C)n4)n23)cc1,TYVGJSFHGIRIKS-UHFFFAOYSA-N,3,1,0.457,89,926,469.509,2.537,5,0.402,0.75,1.0,0.3640086354602152,0.15554108697142074,0.09339661435131245,0.026334726886436843,0.15982026591734633
EOS-3-11487,Cc1cnnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nc2)n1,GWUNNOLRARKWSQ-UHFFFAOYSA-N,3,1,0.287,86,723,445.45,2.866,6,0.399,0.68,0.998,0.09016688369542869,0.08758823932561167,0.10884277979576451,0.12013398670413268,0.10168297238023438
EOS-3-11488,N#Cc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)n1,LZZIJLNBUGFAON-UHFFFAOYSA-N,3,1,0.505,11,846,438.426,3.276,5,0.397,0.72,1.0,0.94973785210061,0.9286717839764238,0.5464584332807896,0.5536889178260571,0.7446392467959702
EOS-3-11489,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)cn2)cc1,FMZISRXGQGEWAO-UHFFFAOYSA-N,3,1,0.368,32,818,428.459,4.372,6,0.411,0.82,1.0,0.13421801110273457,0.10980227537523131,0.4882033445274484,0.5205434857103695,0.3131917791789459
EOS-3-11490,COc1nc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1ccncc1,MXDZHWNUQVBGGT-UHFFFAOYSA-N,3,1,0.38,49,662,428.456,2.878,5,0.407,0.76,0.986,0.17515934480159,0.08759680625042834,0.14952710575011993,0.07164519224179289,0.1209821122609828
EOS-3-11491,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)nc1,QDACJXCPRXACSN-UHFFFAOYSA-N,3,1,0.342,32,301,466.896,3.759,6,0.386,0.78,1.0,0.13704509629223494,0.25221883352751695,0.29863443218422314,0.4445719964361593,0.2831175896100336
EOS-3-11492,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccc5Cl)c4)n23)cc1F,GSKQSRUNANGVNN-UHFFFAOYSA-N,3,1,0.361,83,472,443.869,5.017,5,0.422,0.86,1.0,0.34581248714961277,0.3904632992940854,0.9113580289219382,0.9341888835583579,0.6454556747309985
EOS-3-11493,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4cnc(CO)nc4)n23)c(Cl)c1,UUPWHHMHMRTTRK-UHFFFAOYSA-N,3,1,0.309,50,478,418.848,2.794,5,0.478,0.73,1.0,0.3008618326365568,0.2828712905215544,0.46363340415324517,0.49702727708861627,0.3860984510999932
EOS-3-11494,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)nn1,PYTYVELROLQPJE-UHFFFAOYSA-N,3,1,0.571,84,73,427.443,3.712,5,0.408,0.76,1.0,0.694323555616476,0.7034987320951271,0.5731358371598931,0.540564389006922,0.6278806284696046
EOS-3-11495,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5cccnc5F)n34)nn2)c1F,RVNQNSNNMRJJHF-UHFFFAOYSA-N,3,1,0.444,54,691,435.369,3.64,5,0.389,0.77,0.894,0.7950448906860393,0.7314097731478308,0.8280703858542937,0.8361832636556782,0.7976770783359606
EOS-3-11496,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncc(C)c5)n4)n23)nc1,IKXJNWYWJWTPGM-UHFFFAOYSA-N,3,1,0.359,85,647,470.924,3.556,5,0.418,0.74,1.0,0.16982215064080597,0.19727057775340964,0.2913354122404222,0.25980056199026796,0.2295571756562264
EOS-3-11497,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nn[nH]n5)cn4)n23)cn1,LJDUFDRMHTYQDU-UHFFFAOYSA-N,3,1,0.267,99,286,424.392,0.619,6,0.421,0.71,1.0,0.12881228154341717,0.09054382838736207,0.011308340758001507,0.010151805907751353,0.06020406414913303
EOS-3-11498,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cn(C)nn6)cn5)n34)cc2)nn1,FATSEACRQXOBAH-UHFFFAOYSA-N,3,1,0.33,98,167,436.443,1.839,6,0.406,0.69,1.0,0.0462271263107395,0.055068192721540676,0.07724796107189363,0.07568021383044342,0.06355587348365431
EOS-3-11499,COc1ccc(F)cc1CCOc1cncc2nnc(-c3ccnc(-c4cccnn4)c3)n12,CNGOXLKSDARKPS-UHFFFAOYSA-N,3,1,0.532,11,583,443.442,3.413,5,0.377,0.77,0.998,0.8139006922075251,0.6837519703927079,0.559574395175108,0.457268179014461,0.6286238091974505
EOS-3-11500,FC(F)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)cn1,CKHVEDIVQULCGK-UHFFFAOYSA-N,3,1,0.418,29,243,437.801,3.691,5,0.392,0.73,0.234,0.3708964430128161,0.5036152422726338,0.6226783633746831,0.6394609690905353,0.534162754437667
EOS-3-11501,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)cc1,CFSDUFKRFABQSL-UHFFFAOYSA-N,3,1,0.416,25,791,461.489,3.719,6,0.382,0.76,1.0,0.15639777945308753,0.11902885340278253,0.3728154341717497,0.34276266191487903,0.2477511822356247
EOS-3-11502,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5nnccc5Cl)n34)c(F)c2)cn1,KBHJNXWKZUHOAY-UHFFFAOYSA-N,3,1,0.368,13,706,434.822,3.932,5,0.419,0.73,1.0,0.8034918785552738,0.7584127201699677,0.5792269207045438,0.5826622575560277,0.6809484442464533
EOS-3-11503,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c(Cl)c2)cn1,ZEEHFMBBHJOUFP-UHFFFAOYSA-N,3,1,0.467,92,36,461.873,2.313,5,0.406,0.71,1.0,0.3802943595367007,0.36676718525118224,0.24038791035569873,0.19524021657185936,0.2956724179288603
EOS-3-11504,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)n1,VLMLDMFRSFEXOB-UHFFFAOYSA-N,3,1,0.314,64,176,449.453,3.85,6,0.403,0.75,0.965,0.13422657802755122,0.1799225549996573,0.2767202385031869,0.3524518538825303,0.23583030635323143
EOS-3-11505,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ccccc5)cn4)n23)cc1,HWWYXZCSZWVFMW-UHFFFAOYSA-N,3,1,0.318,30,543,435.426,3.635,6,0.417,0.7,0.983,0.016945377287368925,0.12246419025426633,0.4060037009115208,0.5341477623192379,0.2698902576930985
EOS-3-11506,Clc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ncccn4)ccn3)n12,IBXXXBNYQPUKLY-UHFFFAOYSA-N,3,1,0.671,18,159,429.871,3.918,5,0.404,0.74,1.0,0.7034815982454938,0.7035072990199438,0.48460523610444795,0.5441881982043726,0.6089455828935646
EOS-3-11507,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)ncn1,VORRTJYFISTENL-UHFFFAOYSA-N,3,1,0.56,4,675,429.871,4.184,5,0.413,0.76,1.0,0.7893564526077719,0.9098331163045713,0.6341409087793846,0.6159875950928655,0.7373295181961483
EOS-3-11508,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccc5Cl)nc4)n23)nc1,YSUZLWVVAKZNBD-UHFFFAOYSA-N,3,1,0.46,46,348,429.871,4.184,5,0.413,0.78,1.0,0.6611267219518882,0.6115242272633815,0.5016448495648003,0.5071105475978342,0.570351586594476
EOS-3-11509,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)c(Cl)c1,ZQNJKYOTBVGPQT-UHFFFAOYSA-N,3,1,0.35,62,124,457.925,4.355,5,0.423,0.78,1.0,0.2633387019395518,0.26749366047563566,0.6048677266808307,0.5236275786443698,0.41483191693509697
EOS-3-11510,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-n5ccc(C#N)n5)cc4)n23)cc1,XQIDXSGBPAGTMI-UHFFFAOYSA-N,3,1,0.302,9,642,444.462,3.311,6,0.41,0.7,1.0,0.04764066890548969,0.08432424097046125,0.4459855390309095,0.4320214515797409,0.25249297512165036
EOS-3-11511,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)nn5)n34)cn2)o1,WEJKSPFNNUWZOE-UHFFFAOYSA-N,3,1,0.4,52,229,469.465,2.079,6,0.384,0.76,1.0,0.021674319786169557,0.002467274347200329,0.001987526557466932,0.002595778219450346,0.007181224727571791
EOS-3-11512,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccn(C)n6)cc5)n34)c2)nn1,BYNYKGSDIYOOSY-UHFFFAOYSA-N,3,1,0.279,98,63,435.455,2.444,6,0.414,0.68,1.0,0.017836337468302377,0.023327736275786444,0.18451442670139126,0.17064457542320607,0.09908076896717154
EOS-3-11513,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nncc(C)n5)ccc4F)n23)cn1,WIPHSDANWNMZSL-UHFFFAOYSA-N,3,1,0.5,4,677,428.431,3.373,5,0.42,0.74,1.0,0.7461363169076828,0.7753409636077033,0.467377150298129,0.39403570694263584,0.5957225344390377
EOS-3-11514,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)cn1,DLKKPJUXHOPPSJ-UHFFFAOYSA-N,3,1,0.427,56,197,451.454,2.346,6,0.404,0.71,1.0,0.43851518059077516,0.28287985744637106,0.19099102186279213,0.13092831197313412,0.2608285929682681
EOS-3-11515,Cn1nccc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)c1,YELCPLBLEFWONT-UHFFFAOYSA-N,3,1,0.5,2,109,435.85,3.958,5,0.415,0.73,1.0,0.5347560139812213,0.5677558083750257,0.817130422863409,0.8119045987252416,0.6828867109862243
EOS-3-11516,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncc(C)n5)c4)n23)nc1,WOYJWENINGUUHJ-UHFFFAOYSA-N,3,1,0.35,33,647,437.467,2.297,5,0.444,0.59,0.996,0.1342351449523679,0.034053526146254544,0.11729833458981564,0.061493386334041535,0.08677009800561991
EOS-3-11517,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nn2)nc1,VSCRNGNHEISUAU-UHFFFAOYSA-N,3,1,0.317,86,812,439.374,2.289,6,0.398,0.69,0.996,0.31886094167637585,0.3426427249674457,0.11420567473099856,0.16535878281132205,0.2352670310465355
EOS-3-11518,Cc1cc(COc2cncc3nnc(-c4ccc(-c5csc(C)n5)nc4)n23)nc(C)n1,MRNRETVNPCSBTI-UHFFFAOYSA-N,3,1,0.46,7,464,430.497,3.604,5,0.417,0.78,1.0,0.3709050099376328,0.38113391816873415,0.08900178192036187,0.044873552189705984,0.22147856555410872
EOS-3-11519,Cc1ccc(-c2ncc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)nn1,UCHPRORLBPXQMQ-UHFFFAOYSA-N,3,1,0.423,92,617,458.417,1.559,5,0.395,0.71,1.0,0.447801727092043,0.3135408813652251,0.04915701459803989,0.031012267836337468,0.21037797272291137
EOS-3-11520,Cc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)nn1,DTOXWKGQHFWIRZ-UHFFFAOYSA-N,3,1,0.523,89,731,439.439,2.025,5,0.419,0.65,1.0,0.42723254060722365,0.1438900692207525,0.13420087725310123,0.06803851689397573,0.1933405009937633
EOS-3-11521,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)c(F)c3)n12,DBZQSSVIKDPNPG-UHFFFAOYSA-N,3,1,0.576,11,161,430.418,4.148,5,0.403,0.77,1.0,0.9436210677815091,0.9214327325063395,0.8368257830169282,0.8281046535535604,0.8824960592145843
EOS-3-11522,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(CO)nc5)n34)cc2)nn1C,OYYBIAAKCLOLIT-UHFFFAOYSA-N,3,1,0.518,89,250,428.456,2.362,5,0.438,0.78,1.0,0.38717360016448493,0.2569906106504009,0.17805496538962373,0.11548214652868206,0.2344253306832979
EOS-3-11523,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)c(Cl)c4)n23)n(C)n1,CXTPPIIAXQRADF-UHFFFAOYSA-N,3,1,0.494,36,677,432.875,3.523,5,0.419,0.75,1.0,0.4688677952162292,0.5677643752998424,0.3767562195874169,0.3784353368514838,0.44795593173874304
EOS-3-11524,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1,RAGOPTBVRMRGAJ-UHFFFAOYSA-N,3,1,0.562,34,929,432.846,4.62,5,0.403,0.82,1.0,0.8847662942910013,0.9733140291960798,0.8300664793365773,0.8725584264272497,0.890176307312727
EOS-3-11525,OCc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ncn2)cn1,RQAKPVIQMQAGIU-UHFFFAOYSA-N,3,1,0.444,18,194,426.44,2.152,5,0.417,0.73,1.0,0.3915512987458022,0.2164433554931122,0.2986429991090398,0.23041600986909738,0.2842634158042629
EOS-3-11526,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cnn1,QJCFJTRKNCREPX-UHFFFAOYSA-N,3,1,0.267,99,112,434.427,1.896,6,0.404,0.67,0.907,0.030866630114454115,0.014460969090535262,0.06252141731204167,0.09576965252552944,0.05090466726064012
EOS-3-11527,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)cn2)n1,CFKMCRFPCVVWMH-UHFFFAOYSA-N,3,1,0.276,98,880,434.427,1.896,6,0.404,0.67,0.928,0.046235693235556166,0.015891645534918786,0.02493831814131999,0.04352854499348914,0.03264855047632102
EOS-3-11528,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnn(C)c5)c4)n23)cc1,ZGZSCACLBWTZPU-UHFFFAOYSA-N,3,1,0.341,74,859,410.441,2.613,5,0.489,0.88,1.0,0.09017545062024536,0.030772393941470768,0.40239702556370366,0.2660629840312521,0.19735196353916795
EOS-3-11529,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)ccc2F)cn1,FTZWACVHDMGSEK-UHFFFAOYSA-N,3,1,0.536,16,716,431.406,3.809,5,0.418,0.73,1.0,0.9345915290247413,0.8383678294839284,0.8153742032759921,0.7662343225275855,0.8386419710780618
EOS-3-11530,OCc1c(F)cc(-c2nnc3cncc(OCc4cncc(C(F)(F)F)n4)n23)cc1F,YAMYJORCHZICDP-UHFFFAOYSA-N,3,1,0.524,68,255,438.316,2.95,4,0.479,0.64,1.0,0.8139092591323418,0.8806113357549175,0.9796364197107806,0.9458570351586595,0.9050035124391749
EOS-3-11531,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)n2)cc1,AUIYPBVPIBLABA-UHFFFAOYSA-N,3,1,0.333,10,118,453.416,3.774,6,0.401,0.71,0.876,0.047649235830306357,0.20206805565074362,0.5531149338633404,0.6681430333767391,0.3677438146802824
EOS-3-11532,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccc6F)cc5)n34)cn2)cn1,NBCPLUXJGYUHNA-UHFFFAOYSA-N,3,1,0.345,42,150,453.416,3.774,6,0.401,0.71,1.0,0.007316153793434308,0.21645192241792885,0.6406260708656021,0.6681516003015557,0.3831364368446303
EOS-3-11533,Cc1nnc(-c2ccc(Cl)c(COc3cncc4nnc(-c5cncnc5C)n34)c2)o1,CHJYUCOZBOZZPY-UHFFFAOYSA-N,3,1,0.451,36,677,434.847,3.481,5,0.409,0.74,1.0,0.5422520731958056,0.6300202179425674,0.294847851415256,0.2895963265026386,0.4391791172640669
EOS-3-11534,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)c1F,PUNUIXAEYASXNZ-UHFFFAOYSA-N,3,1,0.329,22,990,426.337,3.65,5,0.408,0.76,1.0,0.15640634637790418,0.4633335617846618,0.8558443561099308,0.8933846206565691,0.5922422212322664
EOS-3-11535,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)c2)nn1,XTTRUSIAWCUHGK-UHFFFAOYSA-N,3,1,0.5,4,506,428.431,3.373,5,0.42,0.72,1.0,0.5603282845589748,0.5306610239188541,0.37676478651223355,0.3081779864299911,0.44398302035501336
EOS-3-11536,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)c1,ZKILENYOPNDHIK-UHFFFAOYSA-N,3,1,0.534,11,490,430.418,4.148,5,0.403,0.79,1.0,0.9036734973613871,0.9214412994311562,0.8134809128915085,0.822159207730793,0.8651887293537112
EOS-3-11537,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)nc1,GMSAAVKEWPPIPJ-UHFFFAOYSA-N,3,1,0.269,98,880,433.439,2.501,6,0.412,0.67,0.999,0.08500959495579467,0.028039544924953738,0.06252998423685834,0.09986464258789665,0.06886094167637585
EOS-3-11538,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)nc1,UZLNVCNJOFVOLI-UHFFFAOYSA-N,3,1,0.289,98,880,433.439,2.501,6,0.412,0.67,0.998,0.06462888081694194,0.02115173737235282,0.05842642724967446,0.09181173326022891,0.05900469467479953
EOS-3-11539,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)nn5C)n34)cn2)o1,QGLPESXFSYEGGF-UHFFFAOYSA-N,3,1,0.348,30,945,435.451,3.612,6,0.413,0.75,0.999,0.09018401754506203,0.10657254471934755,0.08901034884517854,0.09376499211842917,0.09488297580700433
EOS-3-11540,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)nc1,WVHJPFZQFHTJKR-UHFFFAOYSA-N,3,1,0.299,42,977,447.437,3.906,6,0.4,0.74,1.0,0.29304879720375576,0.33263655678157766,0.4846138030292646,0.5038979507915838,0.4035492769515455
EOS-3-11542,CC(c1ccc(F)cc1)c1cncc2nnc(-c3ccc(C(=O)NCCC#N)cc3)n12,GHBDPMWSVXLGPX-UHFFFAOYSA-N,3,1,0.448,0,646,414.444,3.726,4,0.485,0.82,1.0,0.26334726886436843,0.31354944829004183,0.777516962511137,0.6710900555136728,0.506375933794805
EOS-3-11543,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)nc1,VYSCZVCZNYAFEH-UHFFFAOYSA-N,3,1,0.585,35,921,427.443,3.712,5,0.408,0.74,1.0,0.890163456925502,0.7962271263107394,0.4981152765403331,0.4541155506819272,0.6596553526146254
EOS-3-11544,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ncccc5Cl)n34)ccn2)nn1,AVGDMSJNEMVACG-UHFFFAOYSA-N,3,1,0.535,24,241,430.859,3.579,5,0.416,0.74,0.999,0.5089267356589678,0.5493968884929066,0.34618943184154616,0.37192447399081624,0.4441093824960592
EOS-3-11545,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)nc1,IBLDJRFOQAWMBN-UHFFFAOYSA-N,3,1,0.294,39,972,468.431,3.384,6,0.387,0.75,1.0,0.2171886779521623,0.3034062093071071,0.3687461448838325,0.45727674593927764,0.3366544445205949
EOS-3-11546,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)nn2)n1,QCJOCZBAZYWMEN-UHFFFAOYSA-N,3,1,0.253,99,841,437.431,1.234,6,0.395,0.67,0.342,0.049285518470289905,0.025640805976286752,0.02103180042491947,0.018470289904735798,0.028607103694057983
EOS-3-11547,Cc1cnc(-c2nnc3cncc(OCc4cc(Cl)cc(C(F)(F)F)c4)n23)cn1,IQOCPUVVGWYLRU-UHFFFAOYSA-N,3,1,0.464,68,127,420.782,4.141,4,0.493,0.72,1.0,0.8164964704269755,0.7584212870947844,0.9786340895072305,0.9553663217051607,0.8772295421835379
EOS-3-11548,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OCCc4ccc(C)nc4)n23)cc1,BDJCDDWXZKROPO-UHFFFAOYSA-N,3,1,0.385,62,124,465.517,3.538,5,0.392,0.81,1.0,0.2792389143992872,0.07021451579740937,0.3461979987663628,0.1735144952367898,0.21729148104996232
EOS-3-11549,Cn1nccc1-c1ncc(-c2cncc3nnc(-c4cnc(-c5ccc(F)nc5)nc4)n23)cn1,XALYBKZQWCULRP-UHFFFAOYSA-N,3,1,0.321,86,780,451.429,2.64,6,0.372,0.73,1.0,0.18666472483037488,0.2367212665341649,0.19800733328764306,0.2009543554245768,0.20558692001918993
EOS-3-11550,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ncnc(-c5cnccn5)n4)n23)cc1,YRJZCLRDRBLKRP-UHFFFAOYSA-N,3,1,0.329,94,136,430.435,3.162,6,0.415,0.68,0.958,0.12319237886368309,0.07734219724487698,0.11125865259406484,0.16026146254540471,0.11801367281200742
EOS-3-11551,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4C)n23)c(F)c1,GLGJPFPKZNUUKB-UHFFFAOYSA-N,3,1,0.324,61,269,470.512,3.852,5,0.419,0.78,1.0,0.23655849496264822,0.2215749434582962,0.20504077856212735,0.14706839832773627,0.202560653827702
EOS-3-11552,N#Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,DSFOZGONPUELRB-UHFFFAOYSA-N,3,1,0.545,35,393,420.436,3.136,5,0.411,0.8,1.0,0.7783051195942704,0.7314183400726475,0.6136659584675485,0.5471866218902063,0.6676440100061682
EOS-3-11553,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1,KWDFADHBNULUAQ-UHFFFAOYSA-N,3,1,0.523,87,796,420.436,3.136,5,0.411,0.8,1.0,0.6854910561304914,0.7360958810225482,0.5160972517305188,0.47294565142896305,0.6026574600781304
EOS-3-11554,Clc1ccc(CCOc2cncc3nnc(-c4cnc(-c5cccnn5)nc4)n23)s1,PRIFIALQMDFSHQ-UHFFFAOYSA-N,3,1,0.489,87,510,436.888,3.375,5,0.399,0.73,1.0,0.7096926187375779,0.7267407991227469,0.16189774518538824,0.22155780960866286,0.45497224316359397
EOS-3-11555,Fc1cc(Cl)cc(NCc2cncc3nnc(-c4cc(-c5ccccc5)cnn4)n23)c1,UWRLQMIDWQSNFY-UHFFFAOYSA-N,3,1,0.306,19,616,431.862,4.653,5,0.436,0.79,1.0,0.12036529367418272,0.11285210060996505,0.742521074635049,0.8262284970187102,0.45049174148447674
EOS-3-11556,Cn1nc(-c2ccc(F)cc2F)nc1-c1cncc2nnc(-c3ccc(C(F)F)cn3)n12,CHSQFLCXNPVTBA-UHFFFAOYSA-N,3,1,0.33,22,315,440.364,3.865,5,0.395,0.75,0.459,0.1838719073401412,0.40949900623672125,0.7635014735110685,0.8119131656500582,0.5421963881844973
EOS-3-11557,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4cnc(F)c(C)c4)cn3)n12,AYFUBZQRXXDWMS-UHFFFAOYSA-N,3,1,0.34,96,139,439.454,3.77,5,0.427,0.69,1.0,0.19796449866355972,0.20659139195394421,0.6136745253923651,0.48776643136179837,0.3764992118429169
EOS-3-11558,Cn1cc(-c2csc(COc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)c2)nn1,DXGDTSXUDHOZHJ-UHFFFAOYSA-N,3,1,0.479,36,677,433.453,2.926,5,0.434,0.72,1.0,0.3086320334452745,0.09371359056952916,0.24039647728051539,0.12876087999451716,0.19287574532245905
EOS-3-11559,Cn1cc(-c2nc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)nn1,CRMNZFNOLDFTRB-UHFFFAOYSA-N,3,1,0.365,85,476,437.389,3.044,5,0.417,0.7,0.765,0.17240936193543965,0.35234905078473033,0.5295044890686039,0.5002827085189501,0.388636402576931
EOS-3-11560,Cc1ccccc1-c1ncc(-c2nnc3cncc(-c4cc(-c5cn(C)nn5)ncn4)n23)cn1,REDXWJNKWZRUBG-UHFFFAOYSA-N,3,1,0.284,86,566,447.466,2.809,6,0.401,0.71,0.998,0.016953944212185594,0.015900212459735455,0.11421424165581523,0.11310910835446508,0.06504437667055034
EOS-3-11561,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncc(F)cn6)n5)n34)cc2)n1,HDFCPWKMKDRUTJ-UHFFFAOYSA-N,3,1,0.316,98,865,451.429,2.64,6,0.398,0.67,1.0,0.20615447878829415,0.22696353916798026,0.13420944417791789,0.16027002947022137,0.18189937290110342
EOS-3-11562,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnccn5)n4)n23)cc1,ZPQCFRSYVVHXHC-UHFFFAOYSA-N,3,1,0.638,7,408,448.393,3.219,5,0.37,0.73,1.0,0.7156894661092454,0.7314269069974642,0.6771554382838736,0.6006185319717634,0.6812225858405867
EOS-3-11563,Cn1nnc(-c2cccc(F)c2)c1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,CISAMDUVVPOCQF-UHFFFAOYSA-N,3,1,0.367,22,336,415.392,1.887,5,0.474,0.76,1.0,0.07638270166541018,0.17567336029059008,0.10080700431773011,0.14209101500925228,0.12373852032074567
EOS-3-11564,Cc1cnc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)c(-c2ccncc2)c1,UTXFVQDNJBABAW-UHFFFAOYSA-N,3,1,0.253,10,871,431.463,3.804,6,0.418,0.72,0.977,0.006296689740250839,0.009252278802001234,0.21536392296621204,0.2660715509560688,0.12424611061613323
EOS-3-11565,O=C(c1ccc(-c2cncc3nnc(-c4ccc(F)c(F)c4)n23)nc1)N1CC(F)C1,FFZYPMCCBVLNMT-UHFFFAOYSA-N,3,1,0.4,0,999,410.359,2.925,5,0.519,0.86,1.0,0.384826262764718,0.4808186553354808,0.4351569460626414,0.6190288534027826,0.4799576793914057
EOS-3-11566,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(C#N)nc5)ccn4)n23)cn1,ARASHSWHESIVIX-UHFFFAOYSA-N,3,1,0.512,46,160,431.419,2.966,5,0.411,0.7,1.0,0.5270800493454869,0.4410167226372421,0.6877784250565417,0.6036340895072305,0.5648773216366253
EOS-3-11567,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2F)n1,OEQHTKPLPQHATR-UHFFFAOYSA-N,3,1,0.588,35,393,428.431,3.107,5,0.406,0.71,1.0,0.9212356932355562,0.8697484750873826,0.4060122678363375,0.34919642245219656,0.6365482146528681
EOS-3-11568,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)nc4)n23)cc1,LDZBVBPTDUJRIW-UHFFFAOYSA-N,3,1,0.551,27,863,450.384,3.636,5,0.4,0.7,1.0,0.9702385031868961,0.8831814131999177,0.8758395586320334,0.7687015968747858,0.8744902679734082
EOS-3-11569,Cn1c(COCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)nnc1C(F)F,UFESRBYNXUZUTO-UHFFFAOYSA-N,3,1,0.46,63,9,472.431,2.606,5,0.42,0.73,1.0,0.27627475841272015,0.29357994654238917,0.1060242615310808,0.16275443766705502,0.20965835103831126
EOS-3-11570,Cc1nc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1C,RMRKYHWVGPQNDG-UHFFFAOYSA-N,3,1,0.549,36,404,433.863,2.918,5,0.416,0.74,1.0,0.5828935645260778,0.7624220409841683,0.12561681858680007,0.16799739565485575,0.4097324549379755
EOS-3-11571,C#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cn4)n23)cc1,SCQYIEJSWVKYHS-UHFFFAOYSA-N,3,1,0.303,74,139,420.436,2.606,5,0.423,0.78,1.0,0.14785655541086973,0.08086320334452744,0.40602083476115414,0.2987201014323898,0.23336517373723528
EOS-3-11572,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4ccncn4)n23)n1,GFYTZSXNEPXBAV-UHFFFAOYSA-N,3,1,0.4,18,851,429.419,2.502,5,0.401,0.71,1.0,0.6000702487834967,0.47638098828044684,0.18759851963539168,0.18183297923377426,0.3614706839832774
EOS-3-11573,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,FZLSILDKXAASIP-UHFFFAOYSA-N,3,1,0.323,76,387,432.451,3.106,6,0.418,0.68,0.999,0.1022205469124803,0.03692344595983826,0.16501610581865533,0.19280720992392572,0.12424182715372489
EOS-3-11574,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5cnc(-c6ccccc6)nc5)n34)cn2)nn1,PENDNOLYDSLMNB-UHFFFAOYSA-N,3,1,0.342,70,72,448.425,3.301,6,0.4,0.68,1.0,0.2713573435679528,0.2828884243711877,0.27672880542800354,0.32995510931396066,0.2902324206702762
EOS-3-11575,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)cn4)n23)cc1,YGXXXBUJIQOPMV-UHFFFAOYSA-N,3,1,0.301,38,167,431.463,3.711,6,0.419,0.73,1.0,0.07250188472345967,0.04375985196353917,0.4312332944966075,0.40631211020492086,0.2384517853471318
EOS-3-11576,Cn1ccnc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cc3)n12,RPDVWAVGFRUEAV-UHFFFAOYSA-N,3,1,0.262,42,171,431.463,3.711,6,0.419,0.73,1.0,0.06463744774175861,0.02564937290110342,0.33882187649921186,0.3588256459461312,0.19698358577205127
EOS-3-11577,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)nc1,BRZFLMDFVFSKKR-UHFFFAOYSA-N,3,1,0.284,10,37,421.428,2.229,6,0.425,0.73,0.989,0.003366801452950449,0.00860119251593448,0.07509766294291001,0.09987320951271332,0.04673471660612706
EOS-3-11578,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ncc(F)cn4)n23)nc1,VFSAPFWTWVTREZ-UHFFFAOYSA-N,3,1,0.275,86,459,451.429,2.64,6,0.398,0.68,0.998,0.27136591049276954,0.2569991775752176,0.13743917483380166,0.16027859639503803,0.2065207148242067
EOS-3-11579,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4cnc(C(F)(F)F)nc4)n23)c(F)c1,RFDPBRWHBBZDBF-UHFFFAOYSA-N,3,1,0.31,50,243,441.352,3.202,5,0.397,0.69,1.0,0.21179151531766158,0.3667757521759989,0.8446987869234459,0.7403964772805154,0.5409156329244054
EOS-3-11580,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)n1,ZOINSQVSYPURLX-UHFFFAOYSA-N,3,1,0.415,18,88,431.847,2.708,5,0.4,0.7,1.0,0.4889315331368652,0.5169967788362689,0.17492803783153998,0.23042457679391407,0.35282023164964704
EOS-3-11582,Cn1cc(-c2ncc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cn2)cn1,IUEUNXBZWBNPFL-UHFFFAOYSA-N,3,1,0.269,99,952,422.416,1.624,6,0.416,0.74,1.0,0.005791241176067439,0.007890137756151052,0.023876019464053183,0.027354190939620313,0.016227897333972997
EOS-3-11583,Cn1cnnc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)n1C,LPVWUVMOLGYZNX-UHFFFAOYSA-N,3,1,0.297,8,890,437.431,1.234,6,0.395,0.68,1.0,0.0664536358028922,0.028048111849770407,0.009672058118017956,0.013861284353368515,0.029508772531012268
EOS-3-11584,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Br)cc4)n23)ccn1,UYCRBJHWPZROSV-UHFFFAOYSA-N,3,1,0.628,36,32,463.299,3.323,5,0.395,0.71,1.0,0.795053457610856,0.6691196628058392,0.32055719279007605,0.3299636762387773,0.5286734973613871
EOS-3-11585,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)n(C)n1,OSWVFGKOVRKYMQ-UHFFFAOYSA-N,3,1,0.322,38,818,445.49,4.019,6,0.404,0.75,1.0,0.08285929682681105,0.08433280789527792,0.27673737235282025,0.2864608320197382,0.18259757727366185
EOS-3-11586,Cn1cnnc1-c1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cn1,DVFIHQKNDOLFKW-UHFFFAOYSA-N,3,1,0.374,85,740,418.411,3.51,5,0.434,0.81,1.0,0.31127921321362484,0.26235350558563497,0.657956959769721,0.630439997258584,0.4655074189568912
EOS-3-11587,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)ccc4OC)n23)cc1,UENOSZDMFWYSRJ-UHFFFAOYSA-N,3,1,0.462,89,637,470.493,2.534,5,0.385,0.8,1.0,0.2930573641285724,0.1327959015831677,0.327753409636077,0.1309368788979508,0.22113588856144198
EOS-3-11588,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nn2)nc1,SRXZGDQZJQCITA-UHFFFAOYSA-N,3,1,0.461,54,411,448.849,3.452,5,0.389,0.69,0.735,0.7281286409430471,0.7496744568569667,0.4093362346652046,0.49392605030498254,0.5952663456925502
EOS-3-11589,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)n1,GRPGVUDTYYNVLY-UHFFFAOYSA-N,3,1,0.511,15,300,444.886,3.622,5,0.391,0.73,1.0,0.9082568021383044,0.8753084092934,0.1909995887876088,0.2186450551709958,0.5483024638475773
EOS-3-11590,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nc[nH]n5)nc4)n23)cc1,TVJMSJHENKDFRW-UHFFFAOYSA-N,3,1,0.517,89,731,427.428,1.91,5,0.419,0.71,1.0,0.5717222945651429,0.24210129531903227,0.18760708656020836,0.08983277362757865,0.2728158625179905
EOS-3-11591,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)s1,CBSSYALMSIZYJK-UHFFFAOYSA-N,3,1,0.62,43,483,435.9,4.246,5,0.407,0.78,1.0,0.8460266602700295,0.8940185730930026,0.3352409019258447,0.4063206771297375,0.6204017031046536
EOS-3-11592,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nn1,RGAGGKNLVWPUHA-UHFFFAOYSA-N,3,1,0.471,22,706,422.811,3.567,5,0.437,0.79,1.0,0.622729764923583,0.8124700157631417,0.6016808306490302,0.6218902062915496,0.6646927044068262
EOS-3-11593,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)cc1,XLZCTSZFSRJPQZ-UHFFFAOYSA-N,3,1,0.346,32,515,436.41,4.104,6,0.406,0.75,0.999,0.3364060037009115,0.42776368994585706,0.5225995476663697,0.5667534781714756,0.4633806798711535
EOS-3-11594,Cn1ncnc1-c1ccc(-c2nnc3cncc(COc4ccnc(F)c4)n23)c(Cl)c1,QCDTUCDLFJEPGE-UHFFFAOYSA-N,3,1,0.386,14,610,436.838,3.353,5,0.39,0.76,1.0,0.4454715235419094,0.5262661914879035,0.5663165650058255,0.5855921458433281,0.5309116064697417
EOS-3-11595,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccc(F)c5)c4)n23)cc1,JTPFEQXOGPCPTA-UHFFFAOYSA-N,3,1,0.4,83,472,423.451,4.624,5,0.458,0.8,1.0,0.2820488657391543,0.3083835926255911,0.8415204578164622,0.8164450688780756,0.5620994962648208
EOS-3-11596,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)cn4)n23)cc1,LRJQMGVBQOXNRJ-UHFFFAOYSA-N,3,1,0.438,89,408,466.465,1.904,6,0.377,0.73,1.0,0.3733208827359331,0.1190374203275992,0.05104173805770681,0.057098553903090946,0.15012464875608253
EOS-3-11597,OCc1ccc(-c2nnc3cncc(Cc4ccc(OC(F)F)c(F)c4)n23)c(F)c1,RUSLCCSATXWMQK-UHFFFAOYSA-N,3,1,0.435,66,225,418.35,3.754,4,0.483,0.77,0.994,0.8165050373517923,0.9317216092111575,0.990096634911932,0.9858046055787815,0.9310319717634159
EOS-3-11598,Cc1nc(COc2cncc3nnc(-c4cc(-c5cn(C)nn5)ccc4Cl)n23)ccc1F,QAJADKJPLXUUQQ-UHFFFAOYSA-N,3,1,0.462,4,10,450.865,3.662,5,0.403,0.77,1.0,0.4248423685833733,0.6254369131656501,0.5565331368651909,0.5471951888150229,0.5385019018573093
EOS-3-11599,Cn1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)c2)n1,KLMYZYDRKNOCPC-UHFFFAOYSA-N,3,1,0.303,98,63,468.872,2.549,6,0.379,0.75,0.862,0.13176787060516756,0.21646048934274553,0.12562538551161676,0.20096292234939347,0.16870416695223084
EOS-3-11600,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cccc(C(F)(F)F)c5)n34)nn2)nn1,SQQZLILPJGIODP-UHFFFAOYSA-N,3,1,0.316,22,542,423.362,3.063,5,0.44,0.7,0.947,0.09717462819546295,0.2881570831334384,0.8415290247412789,0.7734134055239531,0.5000685353985334
EOS-3-11601,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)n2)n1,UMAIPDDNUOCLEK-UHFFFAOYSA-N,3,1,0.338,76,750,450.441,3.245,6,0.402,0.68,0.351,0.17814920156260708,0.2828969912960044,0.2986515660338565,0.35537317524501405,0.2787677335343705
EOS-3-11602,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(F)cn5)nc4)n23)nc1,RGSCBHJTJIOEEV-UHFFFAOYSA-N,3,1,0.343,33,647,467.468,2.66,6,0.404,0.69,0.806,0.10959666917963128,0.13637687615653485,0.10885134672058118,0.1445582893564526,0.12484579535329997
EOS-3-11603,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ncn4)n23)nn1,JGFWRUZICKWNRX-UHFFFAOYSA-N,3,1,0.415,44,130,430.859,3.313,5,0.404,0.72,0.984,0.5395706257281886,0.5723733808512097,0.23336303200603112,0.32046295661709273,0.4164424988006305
EOS-3-11604,Fc1cc(Cl)cc(-n2nnnc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,NPCOFQCUDQUVPB-UHFFFAOYSA-N,3,1,0.437,22,990,427.23,3.88,5,0.435,0.73,0.993,0.10468782125968062,0.49908333904461655,0.6715955040778562,0.8809368788979508,0.539075885820026
EOS-3-11605,Cc1ncccc1-c1cc(-c2nnc3cncc(COc4cccc(Cl)c4)n23)ccn1,SHFGCPMNFUKSOS-UHFFFAOYSA-N,3,1,0.424,14,189,428.883,4.789,5,0.4,0.88,1.0,0.5163456925502021,0.539844767322322,0.7062572818860942,0.7111746967308615,0.6184056096223699
EOS-3-11606,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,WAKBYAXQUNWBTQ-UHFFFAOYSA-N,3,1,0.46,18,840,425.452,2.757,5,0.424,0.77,1.0,0.4177489548351724,0.28816565005825506,0.4532931258995271,0.3750942361729833,0.3835754917414844
EOS-3-11608,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)cn1,ATONFFGZUMRYHD-UHFFFAOYSA-N,3,1,0.326,86,790,432.451,3.106,6,0.418,0.69,1.0,0.05242957987800699,0.06279555890617504,0.302198272907957,0.28371084915358785,0.17528356521143174
EOS-3-11609,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccnc(F)c5)n34)nc2)n1,FSZDXNSYIDOZAP-UHFFFAOYSA-N,3,1,0.297,94,968,452.417,2.035,6,0.365,0.73,0.934,0.1509749160441368,0.23182955246384757,0.11730690151463231,0.1494842711260366,0.1623989102871633
EOS-3-11611,c1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cn5)n34)c2)cn1,BYODGLKGORTZIQ-UHFFFAOYSA-N,3,1,0.394,6,280,448.45,3.007,6,0.408,0.71,0.918,0.32381262422040985,0.3187153039544925,0.35404530189843053,0.30175279281749023,0.3245815057227058
EOS-3-11612,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnc(F)cn5)c4)n23)c(F)c1,WKMQHEMGBNKCQO-UHFFFAOYSA-N,3,1,0.359,14,358,461.407,3.355,5,0.43,0.65,1.0,0.30864060037009117,0.3715389623740662,0.8243866081831266,0.7967068741004729,0.5753182612569392
EOS-3-11613,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)cc1,FEZPVILLLFTESZ-UHFFFAOYSA-N,3,1,0.303,98,746,436.443,1.839,6,0.406,0.66,1.0,0.07060002741415941,0.05109313960660681,0.030446850798437394,0.03862826399835515,0.04769207045438969
EOS-3-11614,O=C(c1cc(Cc2cncc3nnc(-c4ccccc4F)n23)ccc1F)N1CCC(F)(F)CC1,GSXKLGRTFJQIEQ-UHFFFAOYSA-N,3,1,0.385,0,345,469.442,4.532,5,0.412,0.82,0.996,0.22255157288739635,0.3234442464532931,0.4425073675553423,0.740405044205332,0.432227057775341
EOS-3-11615,CCn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)nn1,ZDJASBGGUVVIMO-UHFFFAOYSA-N,3,1,0.309,9,764,446.478,3.589,6,0.395,0.73,1.0,0.06122781166472483,0.01446953601535193,0.2878144061407717,0.2955674730998561,0.16476980673017613
EOS-3-11616,Fc1cc(-c2nnc3cncc(OCc4nccc(-c5cncnn5)n4)n23)ccc1Cl,DYYVERLRSOIRLM-UHFFFAOYSA-N,3,1,0.489,73,756,435.81,2.805,5,0.41,0.68,1.0,0.8809368788979508,0.934805702145158,0.4390291960797752,0.5071191145226509,0.6904727229113837
EOS-3-11617,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)c(F)c2)CC1,IFEMGJMOCAFKPN-UHFFFAOYSA-N,3,1,0.33,74,450,455.457,2.855,6,0.433,0.71,1.0,0.041900829278322255,0.18842951134260846,0.165024672743472,0.23926564320471524,0.15865516414227948
EOS-3-11618,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)c1,GTWCOWFBOHQLSF-UHFFFAOYSA-N,3,1,0.5,2,422,435.85,3.958,5,0.415,0.74,1.0,0.5858577205126447,0.6209992461106162,0.7611969707353848,0.7687101637996024,0.684191025289562
EOS-3-11619,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3nncnc3-c3ccc(F)cc3)n12,KOQXFHUCIOTCJU-UHFFFAOYSA-N,3,1,0.317,8,356,451.429,2.64,6,0.398,0.69,0.997,0.06646220272770886,0.1972791446782263,0.0772565279967103,0.17906586251799053,0.130015934480159
EOS-3-11620,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nc(-c5cccnn5)ccc4F)n23)c1,SJVHCUNRBIGAKB-UHFFFAOYSA-N,3,1,0.272,98,373,451.429,2.64,6,0.398,0.69,1.0,0.1046963881844973,0.2164690562675622,0.1312538551161675,0.20420121993009388,0.1641551298745802
EOS-3-11621,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)n(C)n1,LLDTYXIQXLKALI-UHFFFAOYSA-N,3,1,0.284,70,957,445.49,4.019,6,0.404,0.77,1.0,0.04765780275512302,0.025657939825920087,0.357669111095881,0.32673394558289354,0.18942969981495442
EOS-3-11622,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nc1,VSORHMPVHLXJHR-UHFFFAOYSA-N,3,1,0.312,70,392,450.441,3.245,6,0.402,0.69,0.998,0.16983071756562265,0.22697210609279692,0.3057792474813241,0.32674251250771025,0.25733114591186346
EOS-3-11623,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cncnc4-c4ccc(F)cn4)n23)cc1,SPPWSWHSMAHPLG-UHFFFAOYSA-N,3,1,0.317,98,615,450.441,3.245,6,0.402,0.69,1.0,0.26860736070180247,0.2881742169830718,0.3423600164484957,0.3686690425604825,0.3169526591734631
EOS-3-11624,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccn5)nc4)n23)cc1,LDLLTQXEUQQEIY-UHFFFAOYSA-N,3,1,0.329,25,213,450.441,3.245,6,0.402,0.69,1.0,0.219955794667946,0.28290555822082103,0.34620656569117947,0.4001524912617367,0.31230510246042076
EOS-3-11625,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnn[nH]5)cc4)n23)cc1,WFZVCQTWFHIQFQ-UHFFFAOYSA-N,3,1,0.309,64,27,436.414,3.235,6,0.447,0.66,1.0,0.2605887190734014,0.31872387087930915,0.3988331848399698,0.5071276814474677,0.371318364060037
EOS-3-11626,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)nc1,ZDVRFUSETRVDMZ-UHFFFAOYSA-N,3,1,0.25,98,866,436.443,1.839,6,0.406,0.65,1.0,0.023953121787403192,0.04376841888835584,0.06442327462134192,0.07568878075526009,0.05195839901309026
EOS-3-11627,CNC(=O)c1ccc(-c2ncncc2-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1,GWQBRWAVDQLHKW-UHFFFAOYSA-N,3,1,0.468,59,230,473.443,3.465,5,0.402,0.79,1.0,0.6823898293468577,0.4095075731615379,0.7164776231923788,0.6190374203275992,0.6068531115070934
EOS-3-11628,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cncnc4)n23)cn1,PMWJQUMCFLXLFF-UHFFFAOYSA-N,3,1,0.278,94,165,434.427,1.896,6,0.404,0.69,0.846,0.09960763484339662,0.05110170653142348,0.07510622986772668,0.0809831402919608,0.07669967788362689
EOS-3-11629,Fc1cccc(-c2cccnc2-c2nnc3cncc(-c4nncc(-c5ccncc5)n4)n23)c1,FTIGYNLCSSYQGZ-UHFFFAOYSA-N,3,1,0.329,10,77,447.437,3.906,6,0.4,0.72,0.969,0.2061630457131108,0.3083921595504078,0.41275443766705505,0.5269686793228703,0.363569580563361
EOS-3-11630,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,DKDOJTIVANKFOZ-UHFFFAOYSA-N,3,1,0.31,94,543,448.425,3.301,6,0.4,0.7,0.958,0.1751679117264067,0.29847166061270647,0.395140840243986,0.49085909122061544,0.33990987595092864
EOS-3-11631,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)nc2)nn1,HNCBIZGEDCSQLY-UHFFFAOYSA-N,3,1,0.279,98,880,433.439,2.501,6,0.412,0.69,0.991,0.021682886710986223,0.0065879651840175454,0.0815142896305942,0.12014255362894935,0.05748192378863683
EOS-3-11632,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1,JFZQCXUILPYNOS-UHFFFAOYSA-N,3,1,0.325,9,867,430.475,4.316,6,0.414,0.77,1.0,0.1811219244739908,0.05895757658830786,0.5856092796929614,0.5441967651291892,0.3424713864711123
EOS-3-11633,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cnn1,DCZRHOUBUVXJRL-UHFFFAOYSA-N,3,1,0.463,36,512,469.469,1.243,6,0.369,0.78,1.0,0.3212425467754095,0.09055239531217874,0.012336371736001646,0.013869851278185182,0.10950029127544376
EOS-3-11634,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)cc2)n1C,PVAOGZQGUBTWJV-UHFFFAOYSA-N,3,1,0.347,9,553,445.49,4.019,6,0.404,0.73,1.0,0.13705366321705162,0.06665067507367556,0.2617966554725516,0.2777825371804537,0.1858208827359331
EOS-3-11635,N#Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)nc1,UOKBUMGAXZVLNM-UHFFFAOYSA-N,3,1,0.534,97,89,441.401,3.977,5,0.407,0.75,1.0,0.9002809951339867,0.909841683229388,0.9159927352477555,0.9048557329860873,0.9077427866493044
EOS-3-11636,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ncc(F)cn5)ncc4F)n23)cc1F,LWXUTESOJDTICU-UHFFFAOYSA-N,3,1,0.379,73,260,476.422,3.011,5,0.415,0.72,1.0,0.3433452128024124,0.37154752929888285,0.5950757316153793,0.5504077856212733,0.465094064834487
EOS-3-11637,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)nc5)n34)cn2)nn1,DQRUKMBYBWRONR-UHFFFAOYSA-N,3,1,0.313,70,887,446.478,3.414,6,0.405,0.68,1.0,0.05083613186210678,0.05896614351312453,0.2840963607703379,0.23620725104516482,0.1575264717976835
EOS-3-11638,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4)n23)cc1,JEQBZYIHWZLVKY-UHFFFAOYSA-N,3,1,0.383,25,791,449.453,3.85,6,0.403,0.71,1.0,0.19509457884997602,0.3034147762319238,0.40934480159002123,0.5103402782537181,0.3545486087314098
EOS-3-11640,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)n2)c1,NWOXPGYUZNUEHX-UHFFFAOYSA-N,3,1,0.281,10,871,436.414,3.03,6,0.414,0.66,0.705,0.01434959906791858,0.1438986361455692,0.22586697279144677,0.3204715235419094,0.17614668288671098
EOS-3-11641,Fc1cnccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nn1,XPVLCLKYYBFKSR-UHFFFAOYSA-N,3,1,0.317,42,620,436.414,3.03,6,0.414,0.66,1.0,0.026146254540470152,0.14390720307038585,0.35767767802069766,0.39697416215475295,0.23117632444657665
EOS-3-11642,Cn1ccnc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,NRQPJYFZCWUKBU-UHFFFAOYSA-N,3,1,0.549,73,335,418.848,3.214,5,0.432,0.78,1.0,0.8460352271948461,0.8349924611061613,0.24745562332944965,0.30517956274415736,0.5584157185936536
EOS-3-11643,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)c(C)n1,ATYKPQDPOZIHLF-UHFFFAOYSA-N,3,1,0.478,26,677,429.459,3.922,5,0.421,0.79,1.0,0.6611352888767048,0.5536546501267905,0.6107532040298814,0.4729542183537797,0.5746243403467891
EOS-3-11644,Cc1nnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)s1,ALGPYGUNLUBTTP-UHFFFAOYSA-N,3,1,0.41,63,9,409.45,2.573,5,0.544,0.88,1.0,0.0901925844698787,0.20659995887876087,0.02307929545610308,0.055616475909807415,0.09387207867863752
EOS-3-11645,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)s4)n23)nc1,WJRJTWUEZOFKIZ-UHFFFAOYSA-N,3,1,0.28,99,794,456.47,3.306,6,0.397,0.71,0.992,0.16445925570557193,0.2623620725104516,0.12831539990405044,0.1627630045918717,0.17947493317798646
EOS-3-11646,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cc(-c5cnccn5)ncn4)n23)nc1,TYHPTLDKYUZDGD-UHFFFAOYSA-N,3,1,0.273,86,892,431.423,2.557,6,0.41,0.7,0.999,0.08080323487081077,0.06665924199849223,0.13421801110273457,0.15468439448975396,0.10909122061544789
EOS-3-11648,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cc5)n34)nc2)ccn1,ULRNIZONHLKIAK-UHFFFAOYSA-N,3,1,0.292,42,174,428.459,4.372,6,0.411,0.8,1.0,0.0947930230964293,0.0905609622369954,0.6168014529504489,0.6218987732163662,0.35601355287506
EOS-3-11649,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)nc2)nc1,SUGHCBNTFCVXGO-UHFFFAOYSA-N,3,1,0.309,32,174,428.459,4.372,6,0.411,0.8,1.0,0.06297546432732506,0.09056952916181207,0.5983739976697965,0.6132119114522651,0.3412827256527997
EOS-3-11650,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)N6CCC6)cn5)n34)c(F)c2)nn1,STDCUXVRWWOWFX-UHFFFAOYSA-N,3,1,0.296,52,523,467.468,2.999,6,0.396,0.73,0.999,0.12882084846823386,0.16712356932355563,0.015309094647385375,0.0615019532588582,0.09318886642450827
EOS-3-11651,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)cn1,PKVOLXHEJHTBFN-UHFFFAOYSA-N,3,1,0.432,7,535,458.417,1.511,5,0.397,0.68,1.0,0.5371204852306216,0.4095161400863546,0.10603282845589747,0.060045576040024674,0.2781787574532246
EOS-3-11652,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)n2)o1,KGEGTDCZXNCTQA-UHFFFAOYSA-N,3,1,0.452,36,212,429.375,2.53,5,0.409,0.73,1.0,0.5888904118977452,0.5926255911178123,0.32056575971489276,0.3113648824617915,0.45336166129806044
EOS-3-11653,Fc1cc(-c2nnc3cncc(OCc4nncc(-c5cccnc5)n4)n23)ccc1Cl,QYBSPYDSDYSHOL-UHFFFAOYSA-N,3,1,0.506,73,391,434.822,3.41,5,0.414,0.68,1.0,0.8730895757658831,0.9468679322870263,0.5531235007881571,0.639469536015352,0.7531376362141047
EOS-3-11654,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)c1,OCPRJKPTFUMIFD-UHFFFAOYSA-N,3,1,0.303,39,972,453.857,2.939,6,0.396,0.71,1.0,0.005354328010417381,0.08434137482009457,0.09129771777122885,0.20698547049551094,0.09699472277431292
EOS-3-11655,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)ccn2)n1,KSYQQJVKJGHIKH-UHFFFAOYSA-N,3,1,0.483,16,332,432.394,3.204,5,0.417,0.69,1.0,0.754951682544034,0.601869302994997,0.5361781235007882,0.5405729559317387,0.6083930162428894
EOS-3-11656,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4F)n23)ncc1F,TWADFEHAWSXNPH-UHFFFAOYSA-N,3,1,0.429,73,540,432.394,3.204,5,0.417,0.72,1.0,0.8035004454800905,0.7711260365979028,0.4811613323281475,0.4572853128640943,0.6282682818175588
EOS-3-11657,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nccnn5)ncc4Cl)n23)cc1,JBXZXPXMWXYTRT-UHFFFAOYSA-N,3,1,0.527,89,731,459.857,2.37,5,0.404,0.66,1.0,0.7003889383866767,0.48493077924748135,0.29485641834007265,0.2628846549242684,0.43576519772462474
EOS-3-11658,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)c(F)c1,WWTVJVSNUPIUHY-UHFFFAOYSA-N,3,1,0.329,8,765,453.445,2.583,6,0.4,0.69,1.0,0.21719724487697897,0.31873243780412586,0.19452916181207594,0.227460420807347,0.23947981632513193
EOS-3-11659,Cc1nn(C)cc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1C,OAAVYMHWDYDNTL-UHFFFAOYSA-N,3,1,0.315,8,890,452.486,2.091,6,0.398,0.68,1.0,0.018752998423685833,0.023336303200603113,0.014640874511685286,0.01160818312658488,0.01708458981563978
EOS-3-11660,Cc1cnc(-c2cc(-c3nnc4cncc(CCc5ccc(Cl)cc5)n34)ncn2)cn1,MTIFUEZUGUZPTH-UHFFFAOYSA-N,3,1,0.34,85,580,428.887,3.785,5,0.42,0.78,0.976,0.24748132410389967,0.2570077445000343,0.33524946885066137,0.4031851826468371,0.3107309300253581
EOS-3-11661,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nn[nH]n6)nn5C)n34)nc2)n1,RMXAROXTXKNURE-UHFFFAOYSA-N,3,1,0.243,99,813,436.443,2.137,6,0.44,0.67,0.62,0.038979507915838534,0.05111027345624015,0.05285792611884038,0.0527465560962237,0.04892356589678569
EOS-3-11662,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cn1,ZDCZGXKBAACBLG-UHFFFAOYSA-N,3,1,0.357,93,774,431.463,3.711,6,0.419,0.71,1.0,0.10470495510931396,0.07735076416969365,0.3502587211294634,0.41294291001302175,0.23631433760537318
EOS-3-11663,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1,UCLIYEJSUQGGSI-UHFFFAOYSA-N,3,1,0.314,9,867,431.463,3.711,6,0.419,0.71,1.0,0.05586491672949078,0.036932012884654926,0.4093533685148379,0.40016105818655334,0.22557783907888423
EOS-3-11664,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nc2)n1,BSKQNRBDLRHFHC-UHFFFAOYSA-N,3,1,0.307,70,723,431.463,3.711,6,0.419,0.71,1.0,0.07434377355904324,0.043776985813172506,0.4201905284079227,0.38449215269686793,0.23070086011925162
EOS-3-11665,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)cn1,ZJVYDCMYVKZCIE-UHFFFAOYSA-N,3,1,0.356,82,155,457.885,3.06,5,0.378,0.74,0.999,0.16174354053868822,0.24210986224384895,0.17144129943115619,0.13989788225618532,0.1787981461174697
EOS-3-11666,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5c[nH]c(=N)cn5)c(Cl)c4)n23)cn1,MEYPYEHROHCQPO-UHFFFAOYSA-N,3,1,0.605,97,214,444.886,3.597,5,0.427,0.83,1.0,0.7724025083955863,0.577727708861627,0.6373449386608183,0.5667620450962922,0.638559300253581
EOS-3-11667,CCn1nc(C)nc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC)cn4)n23)nc1,FNFLFCVDXQPGSV-UHFFFAOYSA-N,3,1,0.32,33,760,456.47,2.32,5,0.408,0.71,0.998,0.21720581180179563,0.10658111164416421,0.018401754506202454,0.004677540949900623,0.08671655472551573
EOS-3-11668,Fc1ccnc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)c1,HXJFZYYKBPFZHX-UHFFFAOYSA-N,3,1,0.338,8,927,437.402,2.425,6,0.409,0.66,1.0,0.03341100678500446,0.16713213624837228,0.1142228085806319,0.1818415461585909,0.12415187444314987
EOS-3-11669,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(Cc5ccc(F)cc5F)n34)c2)nc1,RLUQDDCYHAHIAP-UHFFFAOYSA-N,3,1,0.361,14,692,425.402,3.989,5,0.432,0.73,1.0,0.3238211911452265,0.35736926872729763,0.9009577821945035,0.9104756356658213,0.6231559694332123
EOS-3-11670,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nccnn5)ccn4)n23)nc1,NTMSJMOVPLWMNG-UHFFFAOYSA-N,3,1,0.416,33,53,440.427,1.372,5,0.411,0.66,1.0,0.38030292646151737,0.14029196079775205,0.07726509492152697,0.03323110136385443,0.1577727708861627
EOS-3-11671,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5ncc(F)cn5)cnn4)n23)n1,VPIKMMNCBGLOER-UHFFFAOYSA-N,3,1,0.408,31,65,429.419,2.502,5,0.401,0.72,0.999,0.5888989788225618,0.49430299499691593,0.13422657802755122,0.12671338496333356,0.3360354842025906
EOS-3-11672,FC(F)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)cc1,MJQFLOPZOXOLLP-UHFFFAOYSA-N,3,1,0.358,29,704,436.813,4.296,5,0.388,0.79,0.996,0.4001524912617367,0.5631896374477418,0.809343088205058,0.8341957370982113,0.6517202385031869
EOS-3-11673,OC#Cc1cc(Cl)nnc1-c1ccc(-c2nnc3cncc(-c4cccnn4)n23)cc1F,SZVAFIUGGUPLLM-UHFFFAOYSA-N,3,1,0.322,22,844,444.817,3.179,5,0.422,0.69,0.78,0.38483482968953464,0.5080614762524844,0.6877869919813584,0.7190477006373792,0.5749327496401893
EOS-3-11674,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c1,DBWIPMLIWQONQC-UHFFFAOYSA-N,3,1,0.349,64,27,449.453,3.85,6,0.403,0.76,1.0,0.10960523610444795,0.19728771160304298,0.3650795010622987,0.46037797272291137,0.28308760537317523
EOS-3-11675,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)nn2)c1,JHNGSYMDVODLCS-UHFFFAOYSA-N,3,1,0.315,3,783,423.415,3.568,6,0.465,0.74,1.0,0.040487286683572064,0.1555496538962374,0.5361866904256049,0.6006270988965801,0.3332126824754986
EOS-3-11676,Cc1cc(C)nc(-c2cncc3nnc(-c4ccc(-c5cc(C(F)(F)F)nn5C)cc4)n23)n1,HXXSDUNNKWUBPA-UHFFFAOYSA-N,3,1,0.325,61,121,450.428,4.284,5,0.408,0.77,1.0,0.21180008224247823,0.2776797340826537,0.792474813241039,0.6006356658213967,0.47064757384689193
EOS-3-11677,Fc1c(Cl)ccnc1COc1cncc2nnc(-c3cc(-c4cccnn4)ccn3)n12,UOWUSTPPGNHXHA-UHFFFAOYSA-N,3,1,0.424,46,88,434.822,3.41,5,0.414,0.69,1.0,0.5189243369200192,0.5306695908436707,0.5663251319306422,0.6132204783770817,0.5572848845178534
EOS-3-11678,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)nn1,UQPPUOREMWUMHS-UHFFFAOYSA-N,3,1,0.473,53,241,445.874,3.017,5,0.388,0.71,1.0,0.6087228428483311,0.6887978891097252,0.15548111849770407,0.17907442944280721,0.40801906997464193
EOS-3-11679,Cc1cc(C)c(-c2nnc3cncc(Cc4cc(-c5ccccc5Cl)ncn4)n23)nn1,BXYGJHBZNNHXIZ-UHFFFAOYSA-N,3,1,0.329,85,81,428.887,3.899,5,0.428,0.71,1.0,0.222560139812213,0.2776883010074704,0.23337159893084777,0.3365002398738949,0.2675300699061065
EOS-3-11680,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nn4)n23)c1,ONZJLFJVYVXWJX-UHFFFAOYSA-N,3,1,0.282,98,866,438.48,3.167,6,0.412,0.68,1.0,0.036006785004454804,0.05111884038105682,0.09828832842162977,0.15208861627030362,0.08437564251936125
EOS-3-11681,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccncc5)nc(C)n4C)n23)cn1,ZEPIQFWHLLUDGA-UHFFFAOYSA-N,3,1,0.319,82,974,425.456,2.317,5,0.47,0.69,0.98,0.10961380302926461,0.08087177026934411,0.049165581522856557,0.02548660132958673,0.066284439037763
EOS-3-11682,Cc1noc(-c2ccc(-c3nnc4cncc(-c5nccc(-c6cncn6C)n5)n34)cn2)n1,DILZZUXZAXQCKK-UHFFFAOYSA-N,3,1,0.281,86,812,437.427,2.402,6,0.404,0.68,1.0,0.12585669248166678,0.06280412583099171,0.03961346035227195,0.031020834761154137,0.06482377835652114
EOS-3-11683,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)c(F)c1,JCJIPVMUEUAYHH-UHFFFAOYSA-N,3,1,0.286,10,37,453.416,3.774,6,0.401,0.73,0.903,0.012884654924268385,0.13280446850798439,0.6634140908779385,0.732489205674731,0.38539810499623056
EOS-3-11684,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)c1,PABSXTOLBYDQCG-UHFFFAOYSA-N,3,1,0.462,46,157,433.834,4.015,5,0.386,0.78,1.0,0.5395791926530052,0.567772942224659,0.7114060037009116,0.7533068329792337,0.6430162428894524
EOS-3-11685,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cn1,DDRPJKVXSOOSJB-UHFFFAOYSA-N,3,1,0.275,70,880,432.451,3.106,6,0.418,0.7,0.915,0.08081180179562744,0.008609759440751147,0.120048317455966,0.1653673497361387,0.09370930710712083
EOS-3-11686,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cccnc6)n5)n34)cc2)nn1,WTLYKTGQZXSEQA-UHFFFAOYSA-N,3,1,0.307,38,608,432.451,3.106,6,0.418,0.7,1.0,0.05587348365430745,0.036940579809471595,0.22587553971626345,0.22746898773216367,0.13653964772805155
EOS-3-11687,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)ccn4)n23)cc1F,JNCWOSADCDSHQE-UHFFFAOYSA-N,3,1,0.495,89,788,472.484,2.973,5,0.404,0.76,1.0,0.47415358782811323,0.30342334315674047,0.37677335343705026,0.22156637653347955,0.34397916523884586
EOS-3-11688,FC(F)COc1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cn1,BEIBDQWJDCNSEV-UHFFFAOYSA-N,3,1,0.348,50,957,432.394,3.349,5,0.402,0.72,1.0,0.5063994928380509,0.5216743197861695,0.6549071345349873,0.591888835583579,0.5687174456856967
EOS-3-11689,Cn1c(-c2cc(F)ccc2F)nnc1-c1cncc2nnc(-c3ccc(C(F)F)cn3)n12,KEHZFFVGSGYVOH-UHFFFAOYSA-N,3,1,0.293,22,311,440.364,3.865,5,0.395,0.76,0.266,0.17815776848742376,0.38572578987046807,0.7728479884860531,0.8321739428414776,0.5422263724213556
EOS-3-11690,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4cc(F)ccn4)cn3)n12,DXKBQDJVKDPOMU-UHFFFAOYSA-N,3,1,0.327,70,934,450.441,3.245,6,0.402,0.7,1.0,0.1288294153930505,0.20660852580357755,0.187615653485025,0.27779110410527036,0.20021117469673083
EOS-3-11691,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)c1,NMNFCTVLOBBPCV-UHFFFAOYSA-N,3,1,0.31,39,972,450.441,3.245,6,0.402,0.7,1.0,0.13424371187718456,0.19729627852785964,0.28036118155027073,0.3655849496264821,0.24437153039544923
EOS-3-11692,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C(C)(C)c5cccs5)n4)n23)cc1,QZLGAYAPMIHBDR-UHFFFAOYSA-N,3,1,0.322,74,333,444.524,3.254,5,0.446,0.7,1.0,0.11519087108491535,0.08434994174491124,0.09829689534644644,0.027362757864436982,0.0813001165101775
EOS-3-11693,CCn1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cn2)cn1,QBAXEIVKWXYFDQ-UHFFFAOYSA-N,3,1,0.262,42,369,436.439,3.182,6,0.4,0.7,1.0,0.08082036872044411,0.06281269275580838,0.1342351449523679,0.12464018915769995,0.10062709889658009
EOS-3-11694,c1cncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cn5)n34)cn2)c1,OUJMVGIDISENFL-UHFFFAOYSA-N,3,1,0.289,86,780,420.4,1.885,6,0.448,0.71,1.0,0.15641491330272086,0.1403005277225687,0.0890189157699952,0.10610993077924748,0.12296107189363306
EOS-3-11695,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ccc2F)cn1,QPOJLXSQOCYWMZ-UHFFFAOYSA-N,3,1,0.511,37,426,445.433,3.851,5,0.392,0.75,1.0,0.8809454458227675,0.8611130148721815,0.6254626139401,0.606898087862381,0.7436047906243576
EOS-3-11696,FC(F)(F)c1cnc(Cc2cncc3nnc(-c4cncc(-c5ccccn5)n4)n23)cn1,MBAUYPLZFKYILA-UHFFFAOYSA-N,3,1,0.348,85,674,435.373,3.043,5,0.424,0.65,1.0,0.23361147282571448,0.28291412514563774,0.6607926118840382,0.5405815228565554,0.42947493317798646
EOS-3-11697,Cc1cn(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)n1,IKLKWQURWNZWAS-UHFFFAOYSA-N,3,1,0.359,62,341,467.508,4.199,6,0.419,0.8,1.0,0.2501884723459667,0.22158351038311289,0.34236858337331233,0.36867760948529915,0.2957045438969228
EOS-3-11698,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)nc4)n23)c1,YCAQCCNDPXPBHW-UHFFFAOYSA-N,3,1,0.283,64,449,443.474,4.076,6,0.401,0.75,0.999,0.12883798231786717,0.03694914673428826,0.24746419025426633,0.2716657528613529,0.17122926804194366
EOS-3-11699,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1,FGDFQPAXMRRHIT-UHFFFAOYSA-N,3,1,0.303,62,341,467.508,4.373,6,0.4,0.83,1.0,0.23656706188746487,0.2066170927283942,0.4060294016859708,0.45412411760674387,0.32583441847714345
EOS-3-11700,N#Cc1ccnc(-c2nccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)c1,VPZZKKRHHBKPMS-UHFFFAOYSA-N,3,1,0.366,89,310,475.472,3.199,6,0.391,0.8,1.0,0.5319374957165376,0.34265129189226234,0.2013998355150435,0.20420978685491056,0.3200496024946885
EOS-3-11701,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)n1,CVXJXNNLSFAXBW-UHFFFAOYSA-N,3,1,0.542,44,294,449.396,3.948,5,0.401,0.76,1.0,0.8414604893427455,0.7314354739222808,0.7904701528339387,0.7828370228222877,0.7865507847303133
EOS-3-11702,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5F)n4)n23)cc1,SAHXLQDQJXGREV-UHFFFAOYSA-N,3,1,0.333,8,973,457.408,2.508,6,0.396,0.68,1.0,0.05243814680282366,0.2726766499897197,0.2258841066410801,0.33650880679871154,0.22187692755808375
EOS-3-11703,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ncc(F)cn4)n23)cn1,NNFGYEANDRHVEN-UHFFFAOYSA-N,3,1,0.282,86,902,451.429,2.64,6,0.398,0.7,1.0,0.19510314577479268,0.21647762319237887,0.10604139538071414,0.13523747515591802,0.16321490987595091
EOS-3-11704,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnn(C)n5)nc4)n23)n1,PCDAUVPRNNLYCX-UHFFFAOYSA-N,3,1,0.272,70,935,446.478,3.414,6,0.405,0.7,0.072,0.09020115139469537,0.055076759646357346,0.16503323966828867,0.14949283805085326,0.11495099719004864
EOS-3-11705,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccon4)cc3)n12,CAKMGGZXGSTBJF-UHFFFAOYSA-N,3,1,0.377,93,553,420.436,3.909,6,0.426,0.8,1.0,0.07860153519292715,0.08435850866972791,0.1945377287368926,0.2538893838667672,0.1528467891165787
EOS-3-11706,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)s4)n23)nc1)N1CCCCC1,QLKCIBRYWOJICG-UHFFFAOYSA-N,3,1,0.326,52,821,468.546,3.998,6,0.393,0.83,0.989,0.021691453635802892,0.0072390514700842986,0.0009080940305667877,0.003392502227400452,0.008307775340963608
EOS-3-11707,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1,COICMFDSSWLJES-UHFFFAOYSA-N,3,1,0.309,30,301,429.447,3.767,6,0.417,0.72,0.986,0.10222911383729696,0.055085326571174015,0.25108799945171684,0.33961003358234526,0.18700311836063327
EOS-3-11708,Cn1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)n1,VDYVREDEDVCGPP-UHFFFAOYSA-N,3,1,0.273,99,968,435.455,2.444,6,0.414,0.66,1.0,0.036015351929271466,0.028056678774587073,0.07289596326502638,0.0680470838187924,0.05125376944691933
EOS-3-11709,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nc5)n34)cc2)nn1,GAROURJMFZRTLR-UHFFFAOYSA-N,3,1,0.313,98,882,435.455,2.444,6,0.414,0.66,1.0,0.0685525323829758,0.030780960866287437,0.12301247344253306,0.1177609485299157,0.085026728805428
EOS-3-11710,CCn1cnc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4Cl)n23)n1,KUEVIRKRXFQSQD-UHFFFAOYSA-N,3,1,0.44,73,82,451.853,3.231,5,0.387,0.73,1.0,0.45503221163731067,0.5677815091494757,0.18452299362620794,0.24790967034473305,0.3638115961894318
EOS-3-11711,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)cn1,KFTJELGUJQORKP-UHFFFAOYSA-N,3,1,0.529,4,354,430.859,3.579,5,0.416,0.7,1.0,0.736952573504215,0.9077856212733877,0.42019909533273936,0.4288088547734905,0.6234365362209582
EOS-3-11712,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ncc(-c4cncnc4C)cc3F)n12,DELVQSVGHMACMD-UHFFFAOYSA-N,3,1,0.343,85,357,454.469,3.089,5,0.433,0.64,1.0,0.20338736207251046,0.18843807826742512,0.39884175176478653,0.29253478171475567,0.27080049345486945
EOS-3-11713,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cn1,DXPXDPAGEMQKGV-UHFFFAOYSA-N,3,1,0.277,86,812,447.466,2.809,6,0.401,0.7,1.0,0.05943732437804126,0.034062093071071206,0.07930402302789391,0.07569734768007676,0.06212519703927079
EOS-3-11714,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)cnn4)n23)cn1,ITTGFFWOOUMQLI-UHFFFAOYSA-N,3,1,0.456,24,617,434.822,3.41,5,0.414,0.7,1.0,0.6517630731272702,0.762430607908985,0.49464567198958265,0.5667706120211089,0.6189024912617367
EOS-3-11715,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nc1,MDQKUBINEWBPBK-UHFFFAOYSA-N,3,1,0.353,38,42,422.412,2.699,6,0.421,0.72,1.0,0.14493523404838599,0.07386402576930985,0.14630594201905284,0.14209958193406894,0.1268011959427044
EOS-3-11716,Fc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)nn2)c1,AZAKDDIZTJXGJB-UHFFFAOYSA-N,3,1,0.266,86,312,437.402,2.425,6,0.409,0.68,1.0,0.0207576588307861,0.12605373175245013,0.3241981358371599,0.36559351655129874,0.2091507607429237
EOS-3-11717,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)n1C,NBAMVCQPJSJSCG-UHFFFAOYSA-N,3,1,0.554,16,391,450.865,3.662,5,0.403,0.73,1.0,0.6732060859433897,0.7670310465355356,0.47400795010622987,0.5140840243986019,0.6070822767459393
EOS-3-11718,COc1ccc(CCc2cncc3nnc(-c4ccc(-c5cnc(C)cn5)nn4)n23)cc1,ZOJSUYXKRFQKHR-UHFFFAOYSA-N,3,1,0.347,85,580,424.468,3.141,5,0.409,0.74,0.995,0.2578216023576177,0.05509389349599068,0.1845315605510246,0.1352460420807347,0.15817327462134192
EOS-3-11719,Cc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4)n23)nc1,SSCIKVJZEVPLOM-UHFFFAOYSA-N,3,1,0.283,70,392,445.49,4.019,6,0.404,0.76,0.975,0.07861010211774382,0.01904427386745254,0.3277619765608937,0.28064389006922075,0.1765150606538277
EOS-3-11720,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)cc2)nn1,QGDIMBVXFORARH-UHFFFAOYSA-N,3,1,0.253,9,339,445.49,4.019,6,0.404,0.76,1.0,0.02170002056061956,0.019052840792269207,0.3951494071688027,0.3492049893770132,0.19627681447467615
EOS-3-11721,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)nc5)n34)c2)nn1,TZUALBWXZNDMPS-UHFFFAOYSA-N,3,1,0.296,98,727,435.455,2.444,6,0.414,0.65,1.0,0.04766636967993969,0.030789527791104106,0.14338462065656912,0.14456685628126928,0.09160184360222054
EOS-3-11722,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)nc2)nn1,LMXYMAJNOARPNA-UHFFFAOYSA-N,3,1,0.298,86,812,433.439,2.501,6,0.412,0.7,0.994,0.044830717565622645,0.028065245699403742,0.12302104036734973,0.11776951545473237,0.07842162977177712
EOS-3-11723,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncnn5)cc4F)n23)c(Cl)c1,BHNUZAUSYCRNJS-UHFFFAOYSA-N,3,1,0.453,13,145,437.797,4.367,5,0.412,0.76,1.0,0.8244979782057432,0.8641114385580152,0.909353368514838,0.9286460832019738,0.8816522171201425
EOS-3-11724,Cc1nccc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)n1,FIQFHEJEXFVURF-UHFFFAOYSA-N,3,1,0.271,10,195,431.463,3.804,6,0.418,0.7,1.0,0.004154958536083888,0.01016893975738469,0.2546347063258173,0.27167431978616957,0.13515823110136388
EOS-3-11725,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)cnn1,GNWCNXXSLHMUKB-UHFFFAOYSA-N,3,1,0.27,98,112,422.416,1.829,6,0.45,0.71,0.588,0.057646837091357685,0.04378555273798917,0.060473922280858065,0.08614899595641148,0.0620138270166541
EOS-3-11726,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4cc(F)ccc4Cl)n23)c(F)c1,BLZRTYPTJNWFFK-UHFFFAOYSA-N,3,1,0.494,13,252,439.813,4.311,5,0.415,0.77,1.0,0.5633438420944418,0.8124785826879584,0.8430625042834624,0.8753255431430333,0.773552618052224
EOS-3-11727,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(F)nc5)c4)n23)cc1F,YRTYTJHVOVMNIR-UHFFFAOYSA-N,3,1,0.468,97,788,473.443,3.465,5,0.376,0.84,1.0,0.7491775752175999,0.4717462819546296,0.7348793776985814,0.6219073401411829,0.6444276437529984
EOS-3-11728,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5nccc(C(F)(F)F)n5)c4)n23)cc1,CHIGFGSXWIEWMU-UHFFFAOYSA-N,3,1,0.363,74,139,476.422,3.689,5,0.421,0.78,1.0,0.38718216708930164,0.3326451237063944,0.8243951751079432,0.6132290453018985,0.5393628778013844
EOS-3-11729,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)cn1,HRWMOFKSNUBMCG-UHFFFAOYSA-N,3,1,0.309,86,812,435.455,2.444,6,0.414,0.67,0.999,0.10223768076211363,0.03695771365910493,0.08416146939894456,0.07370125419779316,0.07426452950448907
EOS-3-11730,Cc1ccc(-c2cnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nc2)nc1,NILLYSQTTQMQDJ-UHFFFAOYSA-N,3,1,0.575,59,294,447.861,4.323,5,0.396,0.78,1.0,0.8089318758138578,0.6837605373175245,0.7164861901171955,0.7216777465560962,0.7327140874511685
EOS-3-11731,Fc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)c4)n23)cc1Cl,DGASDMMJNNDPEW-UHFFFAOYSA-N,3,1,0.566,59,389,433.834,4.015,5,0.413,0.74,1.0,0.9314131999177575,0.9317301761359742,0.7945822767459393,0.8096943321225413,0.8668549962305531
EOS-3-11732,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncc(F)c5)ns4)n23)cc1,TXJBAWDYUVDOQS-UHFFFAOYSA-N,3,1,0.373,52,916,471.521,3.932,6,0.403,0.8,0.999,0.12884654924268385,0.17113289013775615,0.2121341923103283,0.2987286683572065,0.2027105750119937
EOS-3-11733,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nn2)cn1,KVWRTQHFZPGYCL-UHFFFAOYSA-N,3,1,0.333,38,787,431.463,3.711,6,0.419,0.72,1.0,0.05944589130285793,0.051127407305873486,0.4740165170310465,0.46674319786169555,0.2628332533753684
EOS-3-11735,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccccc4)n23)cn1,KDMKQQAHOXAZSZ-UHFFFAOYSA-N,3,1,0.333,64,365,431.463,3.711,6,0.419,0.72,0.992,0.1724179288602563,0.06282125968062505,0.2014084024398602,0.2362158179699815,0.16821585223768076
EOS-3-11736,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C5(F)COC5)nc4)n23)cc1,PROIHSVFIHRNGK-UHFFFAOYSA-N,3,1,0.54,63,12,421.392,1.454,5,0.495,0.66,1.0,0.6117126996093483,0.37155609622369956,0.1587451168528545,0.10192070454389693,0.31098365430744984
EOS-3-11737,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnnc5)ccc4F)n23)cc1,NCDFVSXBIZTPHE-UHFFFAOYSA-N,3,1,0.462,62,124,439.454,3.756,5,0.424,0.7,1.0,0.22256870673702966,0.27268521691453634,0.6048762936056473,0.4970358440134329,0.3992915153176616
EOS-3-11738,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)s4)n23)nc1,BIPQLFABNWKRFF-UHFFFAOYSA-N,3,1,0.4,33,53,448.468,2.627,5,0.399,0.7,0.925,0.3503529573024467,0.19266157220204236,0.04406826125693921,0.018478856829552463,0.15139041189774516
EOS-3-11739,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1C,BVKHXUODTAIBSZ-UHFFFAOYSA-N,3,1,0.58,36,32,432.875,3.523,5,0.419,0.73,1.0,0.6312195874169009,0.7541892262353506,0.24747275717908299,0.3017613597423069,0.48366073264341025
EOS-3-11740,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cn(C)nc5C)ccc4F)n23)cc1,XZSOSWMMMLROQD-UHFFFAOYSA-N,3,1,0.404,62,319,469.524,3.98,5,0.406,0.76,0.999,0.1979730655883764,0.18400897813720787,0.505131587965184,0.35883421287094786,0.31148696114042906
EOS-3-11741,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cc1,NOQFCCDZRAONBX-UHFFFAOYSA-N,3,1,0.305,8,927,421.428,2.23,6,0.425,0.72,1.0,0.044839284490439314,0.025666506750736756,0.06845829620999246,0.08451271331642793,0.05586920019189911
EOS-3-11742,Cc1nc(-c2cc[nH]n2)cc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)n1,UOHOYHOXPJVEKD-UHFFFAOYSA-N,3,1,0.255,99,259,436.443,2.137,6,0.44,0.64,0.854,0.08501816188061134,0.07387259269412652,0.045841614693989445,0.0410355698718388,0.061441984785141526
EOS-3-11743,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)s4)n23)cc1,SFBKDSSANFUEGD-UHFFFAOYSA-N,3,1,0.506,89,398,469.53,3.781,6,0.386,0.8,0.999,0.380311493386334,0.15555822082105408,0.08152285655541087,0.0957782194503461,0.17829269755328628
EOS-3-11744,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncs5)c4)n23)cc1,ATGQFYAIBNJHHZ-UHFFFAOYSA-N,3,1,0.523,89,656,469.53,3.781,6,0.386,0.8,1.0,0.38032006031115073,0.11571345349873209,0.2258926735658968,0.2242649578507299,0.23654778630662737
EOS-3-11745,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5nccs5)c4)n23)c(F)c1,XMMMRUIVSRVDCB-UHFFFAOYSA-N,3,1,0.33,98,765,444.459,3.035,6,0.412,0.7,1.0,0.021708587485436227,0.20207662257556028,0.19100815571242546,0.22747755465698033,0.16056773010760056
EOS-3-11746,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nc1,WEFDWZARXIVLAV-UHFFFAOYSA-N,3,1,0.614,11,141,431.406,3.543,5,0.406,0.71,1.0,0.8460437941196628,0.7314440408470976,0.5731444040847098,0.5762370639435268,0.6817173257487492
EOS-3-11747,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,SDNYVNKWKKCXCU-UHFFFAOYSA-N,3,1,0.43,18,116,421.424,2.531,5,0.406,0.74,1.0,0.5689637447741759,0.48957405249811525,0.33159995887876087,0.2987372352820232,0.4222187478582688
EOS-3-11749,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5F)cn4)n23)cc1,SRWZPZIHTAEWLI-UHFFFAOYSA-N,3,1,0.374,62,302,468.467,4.691,6,0.405,0.87,1.0,0.2633558357891851,0.2935885134672058,0.679802618052224,0.7584555547940511,0.4988006305256665
EOS-3-11750,OCc1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(Cl)nn5)cn4)n23)c(F)c1,WOXPTRRWNUAZHE-UHFFFAOYSA-N,3,1,0.342,50,845,434.822,2.99,5,0.459,0.63,0.999,0.39595469810156947,0.5536632170516071,0.6341494757042012,0.6885408813652252,0.5680770680556508
EOS-3-11751,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)cc1,FIJKXIHOJAMHOC-UHFFFAOYSA-N,3,1,0.293,30,220,428.459,4.372,6,0.411,0.79,1.0,0.0612363785895415,0.036966280583921596,0.38417517647865124,0.4939346172297992,0.2440781132204784
EOS-3-11752,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cn1,RDUVRVHSKJDJHU-UHFFFAOYSA-N,3,1,0.288,10,952,421.428,2.23,6,0.425,0.76,0.999,0.016962511137002263,0.04379411966280584,0.05481118497704064,0.06805565074360907,0.04590586663011445
EOS-3-11753,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cnn2)nn1,LTMINTNNTOICGC-UHFFFAOYSA-N,3,1,0.506,89,571,440.427,1.42,5,0.409,0.64,1.0,0.5270886162703036,0.14754814611746966,0.09340518127612912,0.04896854225207319,0.20425262147899387
EOS-3-11754,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nc1,GUOJUGPYUHDPBA-UHFFFAOYSA-N,3,1,0.688,84,491,447.861,4.057,5,0.387,0.76,1.0,0.8620382427523816,0.8548334589815639,0.6579655266945378,0.7111832636556782,0.7715051230210404
EOS-3-11755,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)n1,BPOQSCBHQBJXAR-UHFFFAOYSA-N,3,1,0.314,33,53,467.493,2.975,6,0.404,0.78,1.0,0.3264341032143102,0.13638544308135153,0.04112123912000548,0.0332396682886711,0.13429511342608458
EOS-3-11756,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)nn1,ONLQVKFZXLTQQT-UHFFFAOYSA-N,3,1,0.56,24,241,430.859,3.579,5,0.416,0.71,1.0,0.46161160989651157,0.5587519703927079,0.3878846549242684,0.39124288945240215,0.44987278116647245
EOS-3-11757,Cc1cc(-c2nnc3cncc(OCc4nncc(-c5cccc(Cl)c5)n4)n23)ccn1,SKINRBILKKWYID-UHFFFAOYSA-N,3,1,0.484,4,534,430.859,3.579,5,0.416,0.71,1.0,0.5449335206634227,0.6115327941881982,0.3462151326159962,0.4129514769378384,0.4789082311013638
EOS-3-11758,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccsc5)c4)n23)cc1F,MDOUKUHUOCEIRH-UHFFFAOYSA-N,3,1,0.418,14,358,461.497,4.748,5,0.41,0.82,1.0,0.3164879035021589,0.3187410047289425,0.8558529230347475,0.8262370639435268,0.5793297238023439
EOS-3-11759,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)c1,GQOJYLVFPZQIGY-UHFFFAOYSA-N,3,1,0.353,30,158,435.426,3.635,6,0.417,0.7,1.0,0.013689945857035158,0.17114145706257283,0.26904427386745255,0.41296004386265506,0.2167089301624289
EOS-3-11760,Fc1cncc(-n2cc(-c3cncc4nnc(-c5ccncc5-c5ccccc5)n34)nn2)c1,ODAQXTHCYUJDSB-UHFFFAOYSA-N,3,1,0.302,10,620,435.426,3.635,6,0.417,0.7,1.0,0.017844904393119046,0.122472757179083,0.5051401548900006,0.5977314783085463,0.31079732369268726
EOS-3-11761,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(CC#N)nc5)n34)c(F)c2)cn1,BLHXCCJLSLPAIH-UHFFFAOYSA-N,3,1,0.294,82,478,423.415,3.219,5,0.432,0.72,1.0,0.37091357686244947,0.4277722568706737,0.48462236995408126,0.47573846891919674,0.4397616681516003
EOS-3-11762,Cc1nn(C)cc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,QNXDKZLGCYGDQJ-UHFFFAOYSA-N,3,1,0.449,46,348,431.887,4.128,5,0.416,0.78,1.0,0.4839370159687479,0.5036238091974505,0.5595829620999246,0.5341563292440545,0.5203250291275444
EOS-3-11763,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(C#N)c5)n34)ccn2)cn1,QZXWGJAIIXIPKN-UHFFFAOYSA-N,3,1,0.488,89,441,420.436,3.402,5,0.425,0.8,1.0,0.6972705777534096,0.5262747584127202,0.6311253512439174,0.5371376190802549,0.5979520766225755
EOS-3-11765,COc1nc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1ncc(F)cn1,BYQWWJKJTQISCL-UHFFFAOYSA-N,3,1,0.575,49,896,461.432,3.552,5,0.363,0.79,1.0,0.8642913439791653,0.6593619354396546,0.46738571722294564,0.41927386745253925,0.6025782160235762
EOS-3-11766,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccn6)nn5)n34)cn2)nn1,WVSIEZHYTPUPJB-UHFFFAOYSA-N,3,1,0.292,99,286,435.415,1.291,6,0.394,0.68,0.999,0.030875197039270785,0.030798094715920772,0.014032622849701871,0.01677403879103557,0.023119988348982247
EOS-3-11767,Cn1cc(-c2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)ccn2)nn1,QQCROJFWRMGZRE-UHFFFAOYSA-N,3,1,0.301,39,972,450.441,3.245,6,0.402,0.71,1.0,0.09020971831951202,0.1631399492838051,0.2767459392776369,0.3553817421698307,0.2213693372626962
EOS-3-11768,Cn1cnc(-c2cc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)no2)n1,LUOKIZDAQPPJOT-UHFFFAOYSA-N,3,1,0.329,94,507,440.402,2.838,6,0.407,0.71,0.717,0.19798163251319306,0.3135580152148585,0.18109622369954081,0.24791823726954973,0.23513852717428554
EOS-3-11769,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)nc1,COPYSQDNYHCLSC-UHFFFAOYSA-N,3,1,0.467,19,132,447.861,4.057,5,0.387,0.78,1.0,0.772411075320403,0.8241895689123432,0.5763570008909602,0.6710986224384895,0.711014066890549
EOS-3-11770,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)cn1,LQHXNUQVZDDGOD-UHFFFAOYSA-N,3,1,0.325,94,515,449.453,3.85,6,0.403,0.75,0.957,0.26597731478308545,0.30840072647522443,0.460180933452128,0.4908676581454321,0.3813566582139675
EOS-3-11771,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)on1,OKKPVBXJJZGZSL-UHFFFAOYSA-N,3,1,0.333,70,812,435.451,3.612,6,0.413,0.73,1.0,0.09718319512027962,0.055102460420807346,0.22590124049071345,0.18185011308340757,0.140009252278802
EOS-3-11773,COc1cc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)nn4C)n23)ccc1Cl,IRIYWAWIVICHMR-UHFFFAOYSA-N,3,1,0.4,22,316,435.85,4.055,5,0.423,0.76,1.0,0.23362003975053114,0.5123792063600849,0.542911726406689,0.6219159070659996,0.4777067198958262
EOS-3-11774,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5ccnc(F)c5)cc4F)n23)nc1,OAZJUJYZQCBMLK-UHFFFAOYSA-N,3,1,0.359,85,647,458.432,2.872,5,0.403,0.67,1.0,0.255157288739634,0.23672983345898158,0.48463093687889797,0.42881742169830717,0.3513338701939552
EOS-3-11776,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4cccnc4F)cc3F)n12,LAZLCLDNSLGKIR-UHFFFAOYSA-N,3,1,0.356,62,3,442.429,4.206,5,0.421,0.74,0.968,0.2686159276266191,0.28818278390788843,0.852897333972997,0.8119217325748749,0.5554044445205949
EOS-3-11777,COc1ncc(-c2nnc3cncc(Oc4ccc(-c5cc(F)ccc5F)nn4)n23)cn1,CYVFTKBHUSCZOU-UHFFFAOYSA-N,3,1,0.38,13,706,434.366,3.117,5,0.412,0.7,1.0,0.6427763689945857,0.4675142210951957,0.5161058186553354,0.4541326845315605,0.5201322733191693
EOS-3-11778,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnc(C#Cc5ccccc5)cn4)n23)cc1,YMAVFNMNNLQVCX-UHFFFAOYSA-N,3,1,0.333,38,594,455.485,3.444,6,0.377,0.74,1.0,0.085026728805428,0.09681481735316291,0.4533016928243438,0.4353025837845247,0.26761145569186484
EOS-3-11779,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncn6)cc5)n34)cc2)n1,UWOWGQRVZUMMJO-UHFFFAOYSA-N,3,1,0.308,9,508,432.451,3.106,6,0.418,0.71,1.0,0.1617521074635049,0.07022308272222604,0.27675450620245357,0.28960489342745527,0.19958364745390994
EOS-3-11780,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)nn1,SMDYELHTGURKCS-UHFFFAOYSA-N,3,1,0.301,30,945,432.451,3.106,6,0.418,0.71,0.979,0.036023918854088136,0.02334487012541978,0.24040504420533204,0.2837194160784045,0.14587331231581113
EOS-3-11781,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nccs6)n5)n34)cn2)cc1,FIEPPHFVKVOYDV-UHFFFAOYSA-N,3,1,0.351,32,186,453.466,3.968,6,0.395,0.76,0.773,0.1644678226303886,0.3811424850935508,0.28782297306558835,0.39404427386745255,0.30686938866424507
EOS-3-11782,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)nn1,MNOQHBIJNCLJCI-UHFFFAOYSA-N,3,1,0.415,53,602,431.847,2.708,5,0.4,0.68,0.997,0.5772308272222603,0.6888064560345418,0.17144986635597287,0.2215749434582962,0.41476552326776783
EOS-3-11783,Cc1nc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)nn5)n34)c2)cn1C,IRIWEGLHRDUJQH-UHFFFAOYSA-N,3,1,0.435,53,587,433.863,2.918,5,0.416,0.7,0.964,0.3959632650263861,0.48958261942293196,0.18110479062435747,0.16277157151668836,0.307355561647591
EOS-3-11784,Cc1cnc(C#N)cc1COc1cncc2nnc(-c3ccc(F)c(-c4cncn4C)c3)n12,XRFVHBVJPJDHOQ-UHFFFAOYSA-N,3,1,0.484,26,911,440.442,3.485,5,0.412,0.73,0.999,0.7125368377767116,0.6396580083613186,0.7635100404358851,0.6564748817764375,0.6930449420875882
EOS-3-11785,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)cc5F)n34)cn2)nn1,GSYLCRHGXIDITN-UHFFFAOYSA-N,3,1,0.469,65,779,447.409,2.641,5,0.387,0.71,1.0,0.7575988623123844,0.7753495305325201,0.2725995476663697,0.277799671030087,0.5208369028853402
EOS-3-11786,Cc1cnc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)nc1,HJOFCTKKWBXENK-UHFFFAOYSA-N,3,1,0.257,94,871,433.439,2.594,6,0.412,0.66,0.704,0.0152491261736687,0.011085600712768144,0.04407682818175588,0.060054142964841344,0.03261642450825852
EOS-3-11787,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2F)cn1,WQARZUHZHVSMGK-UHFFFAOYSA-N,3,1,0.517,20,846,432.394,2.938,5,0.403,0.7,1.0,0.8770731958056336,0.8860341991638682,0.5361952573504215,0.5236361455691865,0.7057346994722775
EOS-3-11788,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccncc6)n5)n34)nc2)cc1,JVFRHIMNGMDSFA-UHFFFAOYSA-N,3,1,0.329,42,136,454.457,3.639,6,0.391,0.75,0.966,0.23657562881228153,0.2066256596532109,0.45674559660064423,0.487774998286615,0.34693047083818795
EOS-3-11789,Fc1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(Cl)cn5)c(F)c4)n23)nc1,SSBQVXZGKNRANO-UHFFFAOYSA-N,3,1,0.359,73,260,436.813,3.561,5,0.425,0.64,0.993,0.3618840381056816,0.42331745596600645,0.5295130559934206,0.6537420327599205,0.4921141457062572
EOS-3-11790,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)nc2)cn1,WQFKMXQQVJBCBY-UHFFFAOYSA-N,3,1,0.305,42,459,448.425,3.301,6,0.374,0.73,1.0,0.25783016928243435,0.30840929340004114,0.35026728805428003,0.37844390377630044,0.32373766362826395
EOS-3-11791,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(C)cn5)cc4OC)n23)nc1,UJLSSQCSCSMKGR-UHFFFAOYSA-N,3,1,0.292,33,432,467.493,2.772,5,0.4,0.71,0.99,0.24450003426769926,0.0702316496470427,0.11731546843944897,0.042329175519155646,0.11859408196833664
EOS-3-11792,Fc1ccc(-c2ncc(-c3nnc4cncc(Cc5ccc(C(F)F)cn5)n34)cn2)cc1,YUVMOLCIDTYLAM-UHFFFAOYSA-N,3,1,0.395,14,81,433.397,4.311,5,0.411,0.75,1.0,0.44548009046672604,0.5677900760742923,0.8769960934822836,0.8725669933520663,0.6907083133438421
EOS-3-11793,c1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)nn5)n34)cn2)cn1,WXRYKYYRMACMOC-UHFFFAOYSA-N,3,1,0.295,94,165,432.411,1.952,6,0.402,0.68,1.0,0.09961620176821329,0.11904598725241587,0.1230296072921664,0.14457542320608593,0.12156680487972038
EOS-3-11794,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)c5)n34)cc2)cn1,YSIMNEMEFGCLKZ-UHFFFAOYSA-N,3,1,0.312,9,508,420.44,3.039,6,0.466,0.73,1.0,0.08739976697964498,0.08088033719416078,0.40603796861078745,0.40016962511137,0.2436219244739908
EOS-3-11795,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cc(F)cnn5)c4)n23)nc1,XBRFZAXEYYDJFL-UHFFFAOYSA-N,3,1,0.421,89,348,442.414,2.46,5,0.424,0.62,1.0,0.5662394626824755,0.25701631142485093,0.40604653553560416,0.34597525872112944,0.393819392091015
EOS-3-11796,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)cc1F,DHSSPSSPWDGGAN-UHFFFAOYSA-N,3,1,0.733,24,583,430.418,4.148,5,0.403,0.79,1.0,0.934600095949558,0.8278733465835104,0.8280789527791104,0.807432663970941,0.84949626482078
EOS-3-11797,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ncc(Cl)cn4)n23)nc1,KZFITRWGNUZILG-UHFFFAOYSA-N,3,1,0.344,63,108,408.809,2.314,5,0.534,0.9,1.0,0.4937204441093825,0.337631073949695,0.035492769515454735,0.06471455006510862,0.23288970940991022
EOS-3-11798,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nc1,POUOUFJLZBNVFR-UHFFFAOYSA-N,3,1,0.282,98,63,433.439,2.501,6,0.412,0.67,1.0,0.07639126859022685,0.06282982660544172,0.14953567267493661,0.16537591666095539,0.11353317113289013
EOS-3-11799,CC(O)(F)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)c(F)c5)n4)n23)cc1,CHWPQPHYLZBUJT-UHFFFAOYSA-N,3,1,0.375,29,704,449.396,3.723,5,0.446,0.66,1.0,0.49372901103419914,0.6987012541977932,0.9529590158316771,0.9254334863957234,0.7677056918648482
EOS-3-11800,CCn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)c2)cn1,ZXJSDNXZDUFHFN-UHFFFAOYSA-N,3,1,0.301,52,295,468.496,3.768,6,0.407,0.74,1.0,0.13177643752998425,0.18401754506202453,0.25464327325063396,0.29557604002467275,0.21650332396682886
EOS-3-11801,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnnn6C)c5)n34)cc2)n1C,VAMPAGQGGHUKBO-UHFFFAOYSA-N,3,1,0.291,98,213,449.482,2.753,6,0.403,0.69,1.0,0.11795798780069906,0.07024021657185936,0.1256339524364334,0.11777808237954904,0.1079025597971352
EOS-3-11802,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ncn2)cn1,YLSWKEHQWJUAPY-UHFFFAOYSA-N,3,1,0.529,46,488,432.394,3.204,5,0.417,0.71,0.981,0.7724196422452196,0.5829706668494278,0.6311339181687341,0.5856007127681447,0.6430312350078816
EOS-3-11803,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)c(Cl)c1,LUOOVFNLSRYHIY-UHFFFAOYSA-N,3,1,0.33,82,336,470.924,3.799,6,0.419,0.79,1.0,0.2605972859982181,0.2421184291686656,0.19101672263724215,0.2955846069494894,0.24732926118840382
EOS-3-11805,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)nc4CCOC)n23)cc1Cl,AWDOKBSLYZMHON-UHFFFAOYSA-N,3,1,0.327,66,999,472.883,3.993,4,0.437,0.77,0.999,0.34815125762456306,0.395089438695086,0.7012199300938935,0.6036426564320472,0.5120258207113975
EOS-3-11806,FC1CCN(c2ncc(Cc3cncc4nnc(-c5ccnc(C(F)F)n5)n34)cn2)C1,KNYAEHCVBKEHHM-UHFFFAOYSA-N,3,1,0.286,68,364,427.394,2.448,5,0.479,0.59,0.998,0.23362860667534782,0.15556678774587074,0.01596018093345213,0.057107120827907615,0.11556567404564458
EOS-3-11807,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccn(C)c5F)cc4Cl)n23)cn1,LVVKMXNMCMEHBG-UHFFFAOYSA-N,3,1,0.36,96,204,461.888,4.011,5,0.436,0.73,1.0,0.35036152422726335,0.34758584058666303,0.7270920430402302,0.6914536358028922,0.5291232609142622
EOS-3-11808,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccnc(Cl)c1,FEVWNBGHGASJGN-UHFFFAOYSA-N,3,1,0.482,95,493,432.875,3.257,5,0.38,0.79,1.0,0.41545301898430537,0.342659858817079,0.3614042903159482,0.3845007196216846,0.3760044719347543
EOS-3-11809,COc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cn5)n34)n2)c1,RKTDDDUJOLWOGF-UHFFFAOYSA-N,3,1,0.388,46,267,429.415,3.37,5,0.405,0.71,1.0,0.6577085189500377,0.587990884791995,0.5124648756082517,0.4414536358028922,0.5499044787882942
EOS-3-11810,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nccn1C,RQIYRDNGIKIQFD-UHFFFAOYSA-N,3,1,0.522,35,604,445.458,3.356,5,0.379,0.74,1.0,0.7125454047015284,0.5216828867109862,0.5362038242752382,0.3940528407922692,0.5411212391200055
EOS-3-11811,COc1ncc(CCOc2cncc3nnc(-c4ccc(COC(C)=O)cc4)n23)cc1Cl,BNWNFPCLTWMKLG-UHFFFAOYSA-N,3,1,0.588,90,636,453.886,3.533,4,0.373,0.81,0.999,0.7003975053114934,0.5973459666917963,0.43516551298745804,0.25693064217668427,0.49745990679185803
EOS-3-11812,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cccnc4)c3)n12,HSCFMNNEYBRMMP-UHFFFAOYSA-N,3,1,0.56,35,545,429.459,3.656,5,0.41,0.78,1.0,0.5395877595778219,0.6018778699198136,0.48116989925296416,0.4603865396477281,0.5207555170995819
EOS-3-11813,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2)nn1C,MXPDGNVXNITXCW-UHFFFAOYSA-N,3,1,0.582,15,320,430.447,3.051,5,0.408,0.72,1.0,0.6577170858748543,0.5879994517168118,0.2581642793502844,0.22158351038311289,0.4313660818312659
EOS-3-11814,Cn1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c2)n1,YKXHYIMIQZNGLP-UHFFFAOYSA-N,3,1,0.461,50,243,423.362,3.063,5,0.44,0.69,0.996,0.13425227880200125,0.3034319100815571,0.8447073538482627,0.6998320882735933,0.4955559077513536
EOS-3-11815,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3cc(F)cc(F)c3)n12,ALGVBFAIGNLZAF-UHFFFAOYSA-N,3,1,0.506,16,16,449.421,3.453,5,0.392,0.74,1.0,0.6227383318483997,0.5170053457610856,0.6435645260777192,0.5405900897813721,0.5809745733671441
EOS-3-11816,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nccnn5)c4)n23)cc1F,MMJIEZDBPSDBGK-UHFFFAOYSA-N,3,1,0.473,89,788,457.429,2.116,5,0.407,0.66,1.0,0.6032228771160304,0.39047186621890206,0.2948649852648893,0.2069940374203276,0.37388844150503736
EOS-3-11817,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)nc5C)cn4)n23)c(Cl)n1,WSXPSGLPXJLKEH-UHFFFAOYSA-N,3,1,0.318,82,974,459.901,2.97,5,0.411,0.7,1.0,0.13956377218833527,0.179931121924474,0.15875368377767116,0.12015112055376602,0.1495999246110616
EOS-3-11818,Cc1cnc(-c2ccc(CCCc3cncc4nnc(-c5ccc(C)nc5)n34)cn2)nc1,XJBNAVVWSAPWQB-UHFFFAOYSA-N,3,1,0.438,85,580,422.496,3.83,5,0.41,0.81,1.0,0.23363717360016448,0.2269806730176136,0.11423137550544857,0.10192927146871358,0.16919462339798505
EOS-3-11819,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5cccnc5)n4)n23)nc1,MXWIYVQRUFDFKV-UHFFFAOYSA-N,3,1,0.412,46,128,459.857,2.37,5,0.378,0.74,1.0,0.4616201768213282,0.37644781029401686,0.15263689945857034,0.137584812555685,0.28207242478240013
EOS-3-11820,Cc1ncc(-c2nc(COc3cncc4nnc(-c5ccc(F)cn5)n34)ccc2F)nn1,ARWYABIIMOKIFX-UHFFFAOYSA-N,3,1,0.415,46,128,433.382,2.599,5,0.412,0.67,1.0,0.5244243026523199,0.5036323761222672,0.26180522239736825,0.28372798300322116,0.39339747104379413
EOS-3-11821,Fc1ncncc1-c1cccc(-c2nnc3cncc(COc4ccc(Cl)nn4)n23)c1,AXXZOTDVESUBES-UHFFFAOYSA-N,3,1,0.356,14,351,434.822,3.41,5,0.387,0.75,1.0,0.5858662874374615,0.5880080186416284,0.5983825645946131,0.6132376122267151,0.5963736207251045
EOS-3-11822,Cc1ncc(-c2nnn(C)n2)cc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,ZWKGSFCTOFTZBI-UHFFFAOYSA-N,3,1,0.284,98,608,447.466,2.809,6,0.401,0.67,1.0,0.10720649715578096,0.07024878349667603,0.10885991364539785,0.10193783839353025,0.09706325817284626
EOS-3-11823,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)c(F)c6)nn5)n34)cc2)c1,CRNLQIAIQVQDTQ-UHFFFAOYSA-N,3,1,0.303,3,783,455.432,3.718,6,0.402,0.73,1.0,0.050844698786923444,0.22159207730792954,0.7164947570420122,0.7296364197107806,0.42964198821191146
EOS-3-11824,FC(F)(F)c1cc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)ccn1,WBKGPDCFEKOWAK-UHFFFAOYSA-N,3,1,0.544,97,676,438.369,4.439,5,0.401,0.81,1.0,0.942772942224659,0.8453327393598794,0.9669745048317456,0.8988588856144198,0.913484768007676
EOS-3-11825,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)cc4O)n23)c(F)c1,SYTVNGOYFCLEAB-UHFFFAOYSA-N,3,1,0.33,61,124,444.43,2.458,5,0.436,0.69,1.0,0.3060790898499075,0.352357617709547,0.44599410595572614,0.34598382564594615,0.3626036597902817
EOS-3-11826,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)n1,DMBYZKHRWVFVEF-UHFFFAOYSA-N,3,1,0.306,3,158,452.869,3.544,6,0.399,0.72,1.0,0.08740833390446165,0.2829226920704544,0.2439603180042492,0.4063292440545542,0.2551551470084299
EOS-3-11827,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)nc2)c1,CUIVTUWGIDRFKU-UHFFFAOYSA-N,3,1,0.278,70,77,432.451,3.106,6,0.418,0.68,0.147,0.05588205057912412,0.04380268658762251,0.1682715372489891,0.20421835377972722,0.11804365704886574
EOS-3-11828,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncc(Cl)cn5)c4)n23)cc1,CETHMUMCDZRBBW-UHFFFAOYSA-N,3,1,0.636,73,665,450.289,4.529,5,0.389,0.79,1.0,0.9471420738811597,0.9562829826605441,0.6798111849770406,0.7610598999383181,0.8360740353642656
EOS-3-11829,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cn1,OTBDVHGGRCALGN-UHFFFAOYSA-N,3,1,0.293,94,165,433.439,2.501,6,0.412,0.68,0.999,0.09719176204509629,0.055111027345624015,0.15548968542252073,0.15755431430333766,0.11633669727914467
EOS-3-11830,COc1cc(C(=O)N(C)C)ccc1-c1nnc2cncc(-c3cn(-c4cccnc4)nn3)n12,XYMGWZXPFFUIBN-UHFFFAOYSA-N,3,1,0.319,74,997,441.455,2.144,5,0.407,0.71,1.0,0.05085326571174011,0.043811253512439176,0.10350558563498047,0.0352871633198547,0.058364317044753616
EOS-3-11831,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)cnc5Cl)cn4)n23)cc1,AVUDRCBDBKEETR-UHFFFAOYSA-N,3,1,0.369,62,139,459.872,4.067,5,0.407,0.77,1.0,0.30608765677472416,0.2984802275375231,0.732309300253581,0.6943835240901925,0.5078151771640051
EOS-3-11832,c1ccc(-c2ncnc(-c3cncc4nnc(-c5nccnc5-c5cnccn5)n34)n2)cc1,CJKIAHRVBNDZRC-UHFFFAOYSA-N,3,1,0.338,39,136,431.423,2.557,6,0.41,0.69,0.92,0.09238571722294565,0.07388115961894319,0.04408539510657254,0.06978616955657597,0.07003461037625934
EOS-3-11833,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)cc(Cl)c5)ns4)n23)cc1,MTHLFMUIFDMOEP-UHFFFAOYSA-N,3,1,0.418,96,837,451.874,3.868,5,0.444,0.71,1.0,0.14494380097320267,0.2522274004523336,0.44960934822835996,0.5341648961688712,0.34523636145569186
EOS-3-11835,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cc1,ARIUSPRFOLXPOE-UHFFFAOYSA-N,3,1,0.566,27,51,452.4,3.58,5,0.402,0.73,1.0,0.5163542594750189,0.5587605373175245,0.8998697827427866,0.7828455897471044,0.6894575423206086
EOS-3-11836,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnnn5-c5ccc(F)cc5)n34)cc2)nn1,PYGJOZYBUMAFHG-UHFFFAOYSA-N,3,1,0.349,98,973,439.418,2.369,6,0.411,0.65,1.0,0.043348639572339115,0.21150023987389488,0.1910252895620588,0.28646939894455486,0.1830858919882119
EOS-3-11837,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cn1,ORSKOPHCIMNBSC-UHFFFAOYSA-N,3,1,0.313,86,812,451.429,2.64,6,0.398,0.68,1.0,0.23364574052498116,0.22698923994243025,0.14954423959975327,0.16538448358577204,0.1938909259132342
EOS-3-11838,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cc(C(F)(F)F)ccn5)n34)n2)cc1,HDUSZHZLQGFZIB-UHFFFAOYSA-N,3,1,0.327,22,681,426.337,3.592,5,0.41,0.76,0.623,0.05086183263655678,0.21648619011719553,0.9391148653279419,0.9181344664519224,0.5311493386334041
EOS-3-11839,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cc1,RSNWISQFXPBMJV-UHFFFAOYSA-N,3,1,0.548,19,207,429.871,3.918,5,0.404,0.75,1.0,0.712553971626345,0.7584298540196012,0.5731529710095264,0.6537505996847371,0.6744718490850524
EOS-3-11840,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)c1,UGEVMIKRTCSQBG-UHFFFAOYSA-N,3,1,0.342,64,449,447.437,3.906,6,0.4,0.71,1.0,0.2551658556644507,0.3376396408745117,0.4312418614214242,0.5039065177164005,0.3819884689191968
EOS-3-11841,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncsn5)ns4)n23)cc1,NGITYPUZGOZNBH-UHFFFAOYSA-N,3,1,0.529,89,731,450.509,2.705,5,0.419,0.7,1.0,0.5039322184908506,0.2935970803920225,0.05286649304365705,0.02737132478925365,0.21944177917894594
EOS-3-11842,CCn1cc(-c2c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(C)nn2C)cn1,FIUPSTPBRHVUPZ-UHFFFAOYSA-N,3,1,0.311,52,295,467.537,3.276,6,0.411,0.73,1.0,0.046244260160372835,0.010177506682201357,0.029384552121170585,0.030087039956137346,0.02897333972997053
EOS-3-11843,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ncn4)n23)nc1,PPJSEZJJTRIHAY-UHFFFAOYSA-N,3,1,0.394,33,760,444.419,0.105,5,0.378,0.72,0.638,0.2061716126379275,0.07388972654375985,0.009320814200534577,0.0022788020012336372,0.0729152388458639
EOS-3-11844,CN(C)C(=O)c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)n5)cn4)n23)cn1,UIEGMXFMGQFHCD-UHFFFAOYSA-N,3,1,0.289,82,155,441.43,2.546,5,0.391,0.68,0.997,0.18973168391474196,0.17568192721540676,0.11126721951888151,0.0793297238023439,0.13900263861284354
EOS-3-11845,CCc1cnc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)cn1,IAHPZDCMSWWQNS-UHFFFAOYSA-N,3,1,0.349,82,204,456.897,3.625,5,0.428,0.72,0.998,0.19511171269960934,0.2675022274004523,0.3170019189911589,0.32048009046672604,0.27502398738948663
EOS-3-11846,Fc1cnc(-c2ccc(F)c(Cc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)nc1,RTJHTBZBCNHSSZ-UHFFFAOYSA-N,3,1,0.419,45,358,436.372,4.396,5,0.391,0.77,1.0,0.5039407854156672,0.6788859570968405,0.9543639915016106,0.9614317044753615,0.77465560962237
EOS-3-11847,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cc4)n23)nc1,WUSIEQLEILVFRN-UHFFFAOYSA-N,3,1,0.29,38,339,436.504,4.377,6,0.408,0.81,1.0,0.06124494551435817,0.0702573504214927,0.3205743266397094,0.362338085120965,0.2036036769241313
EOS-3-11848,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)n1,WFEMDLPAIDWWFI-UHFFFAOYSA-N,3,1,0.311,38,608,443.474,4.076,6,0.401,0.74,1.0,0.2090158316770612,0.11905455417723254,0.3540538688232472,0.3144489753957919,0.2491433075183332
EOS-3-11849,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cnco5)nc4)n23)cn1,XEICIHDYTWAFKO-UHFFFAOYSA-N,3,1,0.373,42,106,436.41,4.104,6,0.406,0.75,1.0,0.354859159756014,0.41891405661023917,0.5565417037900076,0.5918974025083956,0.4805530806661641
EOS-3-11850,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)n5C)n34)cc2)n1,YOTAKBIOGVXPBZ-UHFFFAOYSA-N,3,1,0.299,8,474,447.466,2.809,6,0.401,0.68,1.0,0.06125351243917483,0.05113597423069015,0.05481975190185731,0.07165375916660956,0.059715749434582965
EOS-3-11851,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)c(F)c4)n23)cc1,XHHDXQYWSVGLCX-UHFFFAOYSA-N,3,1,0.342,9,38,438.426,4.048,6,0.409,0.74,1.0,0.32382975807004316,0.29360564731683914,0.6197827427866494,0.6099821807963813,0.46180008224247826
EOS-3-11852,Fc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)nc1,KRCJGZNRLLSBRQ-UHFFFAOYSA-N,3,1,0.592,2,995,437.797,4.367,5,0.412,0.77,1.0,0.8620468096771983,0.8241981358371598,0.8514409567541635,0.8780326913851004,0.8539296484134056
EOS-3-11853,O=C(NC1COC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nn4)n23)cc1,GCYIAXWXNJIVOM-UHFFFAOYSA-N,3,1,0.396,62,637,465.473,3.169,6,0.407,0.79,1.0,0.5244328695771366,0.2164947570420122,0.3170104859159756,0.2569392091015009,0.32871933040915635
EOS-3-11854,N#Cc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)nc2)c1,LAONDVMHWFTIRA-UHFFFAOYSA-N,3,1,0.383,51,969,425.387,2.628,5,0.417,0.71,1.0,0.6854996230553081,0.6495785072990199,0.5194040847097526,0.5071362483722843,0.5904046158590912
EOS-3-11855,Clc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)o1,IBBFQRPBPIVWLG-UHFFFAOYSA-N,3,1,0.326,32,191,453.853,4.014,6,0.389,0.76,0.999,0.2254900280995134,0.33764820779932836,0.29487355218970596,0.3492135563018299,0.3018063360975944
EOS-3-11856,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)nn1,DQUMTVHWIKFTPM-UHFFFAOYSA-N,3,1,0.568,13,15,433.834,4.537,5,0.411,0.79,1.0,0.8809540127475841,0.9510914262216434,0.7564937290110342,0.8010503049825235,0.8473973682406963
EOS-3-11857,CCn1nc(C2CC2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,YFEXMWUCBMMTQT-UHFFFAOYSA-N,3,1,0.267,63,108,415.461,2.234,6,0.513,0.76,0.99,0.041909396203138924,0.023353437050236448,0.0002655746693167021,0.000496881639366733,0.0165063223905147
EOS-3-11858,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)c(F)c1,AMDNBZWIFITFFI-UHFFFAOYSA-N,3,1,0.483,59,89,434.381,4.245,5,0.412,0.77,1.0,0.8709649784113495,0.835001028030978,0.9197364813926393,0.9137139332465218,0.8848541052703721
EOS-3-11859,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nn2)c1,BRNFJJQXOIBHQB-UHFFFAOYSA-N,3,1,0.615,19,691,434.381,4.245,5,0.412,0.77,1.0,0.8919368103625522,0.8781697621821671,0.9160013021725721,0.9275923514495237,0.9034250565417037
EOS-3-11860,Fc1ccc(-c2cnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)nc2)cc1,YQSQKGYMJFFDJH-UHFFFAOYSA-N,3,1,0.524,59,293,434.381,4.245,5,0.412,0.77,1.0,0.9098502501542046,0.8048882873003906,0.9093619354396546,0.9192481666780893,0.8858371598930848
EOS-3-11861,Clc1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)cc1,FYOXJYAJMMYRJP-UHFFFAOYSA-N,3,1,0.437,29,704,421.251,4.012,5,0.406,0.82,1.0,0.35952813378109794,0.592634158042629,0.5295216229182372,0.7081762730450277,0.547465046946748
EOS-3-11862,N#Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)o5)n34)cn2)ccn1,MNGWCCMKTFSPTF-UHFFFAOYSA-N,3,1,0.289,76,653,433.391,3.43,6,0.405,0.72,0.999,0.25783873620725106,0.24719004866013297,0.43125042834624083,0.40319374957165377,0.33486824069631965
EOS-3-11863,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)nc2)c1,VCZXKVXIVLVDQM-UHFFFAOYSA-N,3,1,0.337,32,20,446.449,4.511,6,0.393,0.82,1.0,0.2659858817079021,0.38115105201836746,0.6136830923171819,0.6593019669659379,0.48003049825234734
EOS-3-11864,CCn1cc(COc2cncc3nnc(-c4ccnc(-c5cccc(F)c5)c4)n23)c(C)n1,VSNHUDJAGFRDAM-UHFFFAOYSA-N,3,1,0.484,16,183,429.459,4.096,5,0.404,0.82,1.0,0.2792474813241039,0.3811596189431842,0.4060551024604208,0.3879103556987184,0.36359313960660683
EOS-3-11865,O=C(O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)s4)n23)c(F)c1,AJYOEYPLERTSIB-UHFFFAOYSA-N,3,1,0.46,97,214,448.439,3.726,5,0.418,0.76,1.0,0.5064080597628675,0.27769686793228704,0.4351740799122747,0.32997224316359397,0.38731281269275586
EOS-3-11866,FC(F)(F)c1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnccn5)n34)c2)cc1,CCTKMLWBTIOGTC-UHFFFAOYSA-N,3,1,0.443,27,343,449.396,4.241,5,0.396,0.77,1.0,0.6227468987732163,0.5880165855664451,0.9573024467137277,0.9104842025906381,0.7696375334110068
EOS-3-11867,CCOc1ccc(Cl)cc1-c1nnc2cncc(-c3cccc(-c4nnn(C)n4)n3)n12,PFQRCVRVVWJXJJ-UHFFFAOYSA-N,3,1,0.393,22,985,433.863,3.096,5,0.416,0.71,1.0,0.15642348022753752,0.2777054348571037,0.13744774175861832,0.17908299636762387,0.18766491330272084
EOS-3-11868,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cn5)n34)nc2)cc1,SRMLAYACWKBZIZ-UHFFFAOYSA-N,3,1,0.276,30,301,418.424,3.095,6,0.463,0.77,0.993,0.09962476869302996,0.12606229867726682,0.25817284627510106,0.3299808100884107,0.20346018093345214
EOS-3-11869,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cncnn5)nn4)n23)cc1,GCWAYXCGOMWDEI-UHFFFAOYSA-N,3,1,0.394,85,740,428.391,1.262,5,0.436,0.61,0.999,0.18667329175519157,0.15557535467068742,0.11732403536426564,0.11549071345349873,0.14376584881091084
EOS-3-11870,N#Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)cc1,TZRFZMDTIVGGNW-UHFFFAOYSA-N,3,1,0.53,19,159,420.436,3.136,5,0.411,0.77,1.0,0.7281372078678637,0.4990919059694332,0.562821259680625,0.5306867246933041,0.5801842745528065
EOS-3-11871,FC(F)(F)c1nccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)n1,RKXYWUIVJSZKEZ-UHFFFAOYSA-N,3,1,0.517,27,343,450.384,3.636,5,0.4,0.71,1.0,0.8035090124049071,0.8164365019532589,0.7992940853951066,0.6190459872524159,0.7595713967514222
EOS-3-11872,COc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ncccc1F,HVQWJQQHLUVZAE-UHFFFAOYSA-N,3,1,0.478,49,501,443.442,3.413,5,0.377,0.76,1.0,0.7724282091700363,0.5631982043725584,0.3841837434034679,0.31137344938660816,0.5077959015831677
EOS-3-11873,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(C)n5)s4)n23)cc1,MCYVUUJLPXCKQV-UHFFFAOYSA-N,3,1,0.5,89,268,456.531,4.162,5,0.412,0.79,1.0,0.5319460626413542,0.33265369063121103,0.3576862449455144,0.20097148927421013,0.3558143718730724
EOS-3-11874,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)nc4)n23)cnn1,DKOPMOYWMUYDPC-UHFFFAOYSA-N,3,1,0.298,99,112,452.417,2.035,6,0.39,0.67,0.997,0.1423480227537523,0.21650332396682886,0.1060499623055308,0.17065314234802276,0.15888861284353367
EOS-3-11875,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cc(F)ccn4)n23)nc1,ZFTIIBFLEHBZMQ-UHFFFAOYSA-N,3,1,0.292,99,892,452.417,2.035,6,0.39,0.67,1.0,0.2143358919882119,0.267510794325269,0.09341374820094579,0.14707696525255295,0.1805843499417449
EOS-3-11876,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)c5ccccc5)cn4)n23)cc1,QKTQTEUAQXWCTH-UHFFFAOYSA-N,3,1,0.457,62,319,452.493,4.196,5,0.418,0.7,1.0,0.2792560482489206,0.23673840038379823,0.8031749023370571,0.7137704749503119,0.5082349564800219
EOS-3-11877,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCCc4ccc(C#N)cc4)n23)cc1,AKWFPQNCKPJEHH-UHFFFAOYSA-N,3,1,0.598,89,309,436.479,3.47,5,0.36,0.81,1.0,0.8219621684600096,0.5677986429991091,0.43518264683709135,0.40633781097937083,0.5578203173188953
EOS-3-11878,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)ccc1C(N)=O,CFFMEKWHKBFWMA-UHFFFAOYSA-N,3,1,0.452,7,408,439.439,2.025,5,0.419,0.67,1.0,0.40878795147693786,0.14755671304228635,0.19801590021245974,0.10832876430676444,0.2156723322596121
EOS-3-11879,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)cn1,KXASSJVDDXTOHS-UHFFFAOYSA-N,3,1,0.472,27,343,450.384,3.694,5,0.386,0.74,1.0,0.8035175793297238,0.8313943526831609,0.8013587142759235,0.7506939209101501,0.7967411417997395
EOS-3-11880,OCc1noc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)n1,VNWIGLNHMOJFON-UHFFFAOYSA-N,3,1,0.473,13,145,438.806,3.918,5,0.439,0.78,1.0,0.6117212665341649,0.6115413611130148,0.6549157014598039,0.6914622027277089,0.6424101329586731
EOS-3-11881,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncnn5C)n4)n23)nc1,KXBMFXCOJUOVSF-UHFFFAOYSA-N,3,1,0.283,99,259,436.443,1.839,6,0.406,0.66,0.826,0.04767493660475636,0.025675073675553422,0.02717428551847029,0.026343293811253513,0.031716897402508396
EOS-3-11882,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cn2)no1,WCTGRLDQEXDLIH-UHFFFAOYSA-N,3,1,0.545,89,788,446.402,2.362,5,0.415,0.67,1.0,0.5013792748954835,0.35236618463436364,0.22590980741553013,0.15756288122815434,0.3093045370433829
EOS-3-11883,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cc5)n34)nc2)nc1,POGAURDXRKXCIW-UHFFFAOYSA-N,3,1,0.287,42,327,447.437,3.906,6,0.4,0.72,1.0,0.2984802275375231,0.32345281337810977,0.49812384346514976,0.5140925913234186,0.4085373689260503
EOS-3-11884,O=C(O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)cn5)ncc4F)n23)cc1,ZPQZEQSCANSXAO-UHFFFAOYSA-N,3,1,0.56,59,232,460.4,3.804,5,0.407,0.76,1.0,0.7311527654033309,0.1363940100061682,0.7728565554108697,0.6593105338907546,0.5749284661777808
EOS-3-11885,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(C)n5)n34)ccc2F)n1,GERQBIWZKGWGLT-UHFFFAOYSA-N,3,1,0.495,15,563,442.458,3.416,5,0.394,0.74,1.0,0.9129172092385717,0.8806199026797341,0.2767630731272702,0.22159207730792954,0.5729730655883765
EOS-3-11886,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)n1,PURMYDXBCBMCHB-UHFFFAOYSA-N,3,1,0.684,43,11,447.861,4.323,5,0.396,0.79,1.0,0.8901720238503187,0.8667757521759989,0.7497172914810499,0.7610684668631348,0.8169333835926256
EOS-3-11887,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccc(F)cc4)n23)cc1,NSDQYELZEHPRPO-UHFFFAOYSA-N,3,1,0.395,98,882,450.441,3.245,6,0.402,0.69,1.0,0.18388047426495785,0.31874957165375917,0.32420670276197655,0.3969827290795696,0.3059548694400658
EOS-3-11888,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cc1,ZBMZMJOQUNEBAK-UHFFFAOYSA-N,3,1,0.338,9,498,450.441,3.245,6,0.402,0.69,1.0,0.16176067438832156,0.2675193612500857,0.28783153999040506,0.3845092865465013,0.27540521554382835
EOS-3-11889,c1ccc(-c2cccc(-c3nnc4cncc(-c5ccnc(-c6cncnc6)c5)n34)n2)nc1,MFFIUTHTBFJRCC-UHFFFAOYSA-N,3,1,0.309,32,368,429.447,3.767,6,0.417,0.74,0.997,0.054134397916523885,0.0589747104379412,0.36875471180864916,0.38147659516140087,0.21583510383112878
EOS-3-11890,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cccnn6)c5)n34)cn2)nc1,INERVCWBQPQCBK-UHFFFAOYSA-N,3,1,0.279,32,339,429.447,3.767,6,0.417,0.74,1.0,0.1317850044548009,0.11286066753478172,0.36508806798711535,0.38451785347131795,0.248562898362004
EOS-3-11891,c1cncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)c1,NECWEFOENGPWCQ-UHFFFAOYSA-N,3,1,0.301,42,106,429.447,3.767,6,0.417,0.74,1.0,0.20902439860187788,0.147565279967103,0.427609485299157,0.4320300185045576,0.30405729559317385
EOS-3-11892,Cc1c(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nnn1C,LKBSEYISPSERRO-UHFFFAOYSA-N,3,1,0.633,43,909,431.887,4.128,5,0.416,0.81,1.0,0.5829021314508944,0.7624391748338016,0.45331025974916045,0.5039150846412171,0.5756416626687685
EOS-3-11893,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2F)cn1,UNBXWTAKIRBERK-UHFFFAOYSA-N,3,1,0.633,35,4,427.443,3.712,5,0.408,0.75,1.0,0.9098588170790213,0.9138081694195052,0.6522342539921869,0.5762456308683435,0.7630367178397642
EOS-3-11894,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)c1,SCBISEQAJCNURX-UHFFFAOYSA-N,3,1,0.423,18,367,431.406,3.543,5,0.406,0.73,1.0,0.6487303817421698,0.5777362757864437,0.6226869302994997,0.6509406483448701,0.6250235590432458
EOS-3-11895,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)s4)n23)cc1,JLLZIUVQNASSQS-UHFFFAOYSA-N,3,1,0.364,38,865,437.492,3.772,6,0.414,0.72,1.0,0.06464601466657528,0.09057809608662874,0.22591837434034678,0.23043314371873072,0.1528939072030704
EOS-3-11896,Cn1ccnc1-c1nnc2cncc(OCc3ncc(-c4ncc(Cl)cc4F)cn3)n12,YRXICXVSZGGZLT-UHFFFAOYSA-N,3,1,0.362,51,48,437.826,2.748,5,0.413,0.65,1.0,0.36641594133369887,0.3187581385785758,0.205049345486944,0.2660801178808855,0.2890758858200261
EOS-3-11897,COC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)s4)n23)cc1,KHHVKKOXNPJLLB-UHFFFAOYSA-N,3,1,0.366,62,574,432.44,3.903,5,0.398,0.83,1.0,0.172426495785073,0.39509800561990266,0.3540624357480639,0.3331934068946611,0.3136950860119252
EOS-3-11898,Cn1nnnc1-c1ccc(CCOc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1,ZGFNEVSEDRFHIZ-UHFFFAOYSA-N,3,1,0.667,91,402,448.437,3.541,5,0.376,0.79,1.0,0.8620553766020149,0.7795987252415872,0.6608011788088548,0.6190545541772325,0.7303774587074223
EOS-3-11899,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NOCC#N)nc4)n23)cc1,VWSXUPCCCDHATF-UHFFFAOYSA-N,3,1,0.327,0,688,428.412,1.398,4,0.346,0.82,1.0,0.35486772668083066,0.14391576999520253,0.2767716400520869,0.1177866493043657,0.22333544650812143
EOS-3-11900,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)cn5)n34)nc2)n1,VAGOOTLCBLEKED-UHFFFAOYSA-N,3,1,0.314,10,654,467.884,3.154,6,0.384,0.74,1.0,0.07251045164827634,0.19730484545267632,0.14339318758138578,0.2598091289150846,0.16825440339935577
EOS-3-11901,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)cc1,JFEBLCGGZVDRNX-UHFFFAOYSA-N,3,1,0.304,10,871,436.414,3.03,6,0.414,0.66,0.612,0.01697107806181893,0.10658967856898088,0.31309540127475843,0.37845247070111715,0.20377715715166883
EOS-3-11902,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ncncc5-c5cccnc5)n34)n2)cc1,HPUJWJPZTGLGRQ-UHFFFAOYSA-N,3,1,0.292,10,871,436.414,3.03,6,0.414,0.66,0.942,0.024955451990953326,0.13281303543280104,0.29134397916523885,0.3912514563772188,0.21009098074155302
EOS-3-11903,Fc1ccc(-c2cccnn2)cc1-c1nnc2cncc(-c3ncn(-c4ccncc4)n3)n12,PBDKMZPOCGZAKG-UHFFFAOYSA-N,3,1,0.302,10,871,436.414,3.03,6,0.414,0.66,0.999,0.016037283256802138,0.15154890000685353,0.36141285724076483,0.41610410527037217,0.23627578644369818
EOS-3-11904,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnn(C(F)F)c5)cn4)n23)nc1,LTVOCDONWIOMIF-UHFFFAOYSA-N,3,1,0.271,33,432,474.435,2.794,6,0.398,0.74,0.989,0.09021828524432869,0.15558392159550408,0.19454629566170928,0.21599787540264548,0.1640865944760469
EOS-3-11905,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)c4)n23)cc1,OYEWRFIJNCWPAF-UHFFFAOYSA-N,3,1,0.329,3,150,436.454,4.184,6,0.414,0.73,1.0,0.03341957370982112,0.1840261119868412,0.6634226578027551,0.6681601672263724,0.3872571276814475
EOS-3-11906,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnccc4Cl)n23)cc1,HGWSFGYMEKJSOP-UHFFFAOYSA-N,3,1,0.538,16,320,418.848,3.214,5,0.432,0.76,1.0,0.6370365293674183,0.5398533342471387,0.4636419710780618,0.4729627852785964,0.5283736549928038
EOS-3-11907,FCc1nc(-c2cccc(F)c2)cc(-c2nnc3cncc(Cc4ccc(F)nc4)n23)n1,ZFWTXOSAHFLETG-UHFFFAOYSA-N,3,1,0.343,44,81,433.397,3.982,5,0.39,0.76,0.975,0.31649647042697554,0.4323726954972243,0.6341580426290179,0.7051864162840107,0.5220534062093071
EOS-3-11908,Cc1n[nH]c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)n1,VSKIWEFUVSCCLP-UHFFFAOYSA-N,3,1,0.295,98,890,435.455,2.742,6,0.448,0.66,1.0,0.05589061750394079,0.07026591734630937,0.1283239668288671,0.11779521622918238,0.09306892947707492
EOS-3-11909,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncn6)cn5)n34)cn2)cc1,XFKPWBQJTOWEDZ-UHFFFAOYSA-N,3,1,0.319,32,20,428.459,4.372,6,0.411,0.8,1.0,0.1811304913988075,0.12607086560208347,0.5362123912000548,0.5536974847508739,0.34927780823795496
EOS-3-11910,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccncc5)nc4)n23)cc1,RLXKPROCLVFBDI-UHFFFAOYSA-N,3,1,0.318,30,515,428.459,4.372,6,0.411,0.8,1.0,0.11218388047426496,0.08436707559454458,0.5124734425330684,0.5537060516756905,0.3156826125693921
EOS-3-11911,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6cncn6)n5)n34)cn2)nn1,MTFGHCRCFSHVTP-UHFFFAOYSA-N,3,1,0.262,99,14,434.427,1.989,6,0.405,0.68,0.99,0.017853471317935715,0.01590877938455212,0.0644318415461586,0.061510520183674866,0.03992615310808033
EOS-3-11912,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)c(F)c4)n23)c1,LYPZWHJOACISFU-UHFFFAOYSA-N,3,1,0.576,11,490,430.418,4.148,5,0.403,0.78,1.0,0.9098673840038379,0.9138167363443218,0.8244037420327599,0.8302121170584607,0.8695749948598451
EOS-3-11913,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)cnn1,ZIKGZBVDHOBULO-UHFFFAOYSA-N,3,1,0.31,98,112,452.417,2.035,6,0.39,0.68,0.846,0.10471352203413063,0.22699780686724694,0.10605852923034748,0.19524878349667604,0.15825466040710026
EOS-3-11914,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)n1,JVVNUXVYTBSZGH-UHFFFAOYSA-N,3,1,0.292,76,387,433.439,2.501,6,0.412,0.69,0.999,0.036032485778904805,0.01743369200191899,0.08153142348022754,0.10611849770406415,0.06027902474127887
EOS-3-11915,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncnn6C)n5)n34)nc2)nc1,UIOAOSSQJNJVRL-UHFFFAOYSA-N,3,1,0.28,76,652,447.466,2.809,6,0.401,0.69,0.994,0.054142964841340555,0.019061407717085876,0.05843499417449113,0.052755123021040365,0.04609862243848949
EOS-3-11916,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)nc1C,URTFRKIRAWUBEA-UHFFFAOYSA-N,3,1,0.518,65,579,438.495,3.585,5,0.396,0.73,1.0,0.5474093619354397,0.4048814337605373,0.10351415255979714,0.06806421766842574,0.28096729148104993
EOS-3-11917,CONC(=O)c1ccc(-c2nnc3cncc(C(F)(F)c4cccc(F)c4F)n23)cc1,ULWMANNKDSGFBT-UHFFFAOYSA-N,3,1,0.494,48,646,431.349,3.501,4,0.387,0.77,1.0,0.49886916592419983,0.5723819477760264,0.990276540333082,0.9649612774998286,0.7566222328832842
EOS-3-11918,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nn4)n23)c(F)c1,YWVJIBGNEPVLOC-UHFFFAOYSA-N,3,1,0.286,99,866,442.378,1.628,6,0.391,0.68,0.357,0.19248166678089232,0.24719861558494963,0.05287505996847372,0.09578678637516277,0.1470855321773696
EOS-3-11919,COc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccc2F)cn1,XOJJFDRFYCNVLV-UHFFFAOYSA-N,3,1,0.521,89,731,472.44,2.469,5,0.378,0.77,0.984,0.5717308614899596,0.2881913508327051,0.3131039681995751,0.1761531080803235,0.3372948221506408
EOS-3-11920,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nccnn5)nc4)n23)ccc1Cl,BYDRRLSMSGWENV-UHFFFAOYSA-N,3,1,0.58,16,391,434.822,3.41,5,0.414,0.68,1.0,0.8988931533136865,0.9420190528407922,0.6406346377904187,0.6738828730039065,0.7888574292372009
EOS-3-11921,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5cnco5)nn4)n23)cc1,WCDBKQBCYYDZIT-UHFFFAOYSA-N,3,1,0.325,39,972,438.386,2.894,6,0.404,0.66,0.998,0.3314885888561442,0.337656774724145,0.16190631211020493,0.25981769583990133,0.27271734288259886
EOS-3-11922,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)c(Cl)c1,XMYSUBLIGVFCKX-UHFFFAOYSA-N,3,1,0.336,62,302,467.92,4.461,6,0.409,0.83,0.978,0.2284456171612638,0.2421269960934823,0.34622369954081283,0.5141011582482352,0.3327243677609485
EOS-3-11923,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)cn1,MNIYXFNNHSXKRA-UHFFFAOYSA-N,3,1,0.278,42,150,425.481,3.501,6,0.429,0.74,1.0,0.004531903228017271,0.02807381262422041,0.3502758549790967,0.3234785141525598,0.17659002124597356
EOS-3-11924,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6COC6)cn5)n34)cn2)n1,YEVOTEGFHYGCPY-UHFFFAOYSA-N,3,1,0.279,33,432,455.442,0.567,6,0.398,0.71,0.892,0.10962236995408128,0.028082379549037077,0.017536495099719007,0.01285895414981838,0.04202504968816394
EOS-3-11925,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)nn1,KUWCPRHVFPITBP-UHFFFAOYSA-N,3,1,0.429,54,785,432.394,3.204,5,0.417,0.69,1.0,0.6400520869028853,0.5777448427112604,0.619791309711466,0.6159961620176821,0.6133961003358235
EOS-3-11926,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6F)cn5)n34)nn2)cn1,OSTQSQDEHDPJRF-UHFFFAOYSA-N,3,1,0.275,10,872,456.42,3.113,6,0.401,0.69,1.0,0.014358165992735247,0.13640257693098484,0.5531320677129737,0.6036512233568638,0.32688600849838945
EOS-3-11927,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)o2)ccn1,NBQQDGLMFAKIJA-UHFFFAOYSA-N,3,1,0.329,30,541,436.41,4.104,6,0.38,0.81,0.996,0.24450860119251594,0.35737783565211434,0.43903776300459185,0.5002912754437667,0.3853038688232472
EOS-3-11928,Cc1ccc(-c2nc(C(F)F)nnc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cn1,HSMWZHZVKULAIN-UHFFFAOYSA-N,3,1,0.356,74,139,459.42,3.05,5,0.423,0.67,1.0,0.2033959289973271,0.16714070317318896,0.2878401069152217,0.21312795558906175,0.21787617366869988
EOS-3-11929,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(OC(F)F)nc4)n23)cc1,XPHPHLANQNUZSB-UHFFFAOYSA-N,3,1,0.453,66,264,410.384,2.738,4,0.525,0.83,1.0,0.4813669385237475,0.44102528956205883,0.7165033239668289,0.5341734630936879,0.5432672537865808
EOS-3-11930,N#Cc1ccnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)c1,JRTJIBXMPZXHNJ-UHFFFAOYSA-N,3,1,0.578,43,659,440.854,3.747,5,0.406,0.7,0.973,0.9314217668425742,0.9571996436159276,0.7323178671783976,0.7687187307244192,0.8474145020903296
EOS-3-11931,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)nc1,PXFAFJXMCRJTOK-UHFFFAOYSA-N,3,1,0.261,39,37,436.414,3.03,6,0.414,0.68,0.688,0.005362894935234048,0.07027448427112604,0.18454012747584128,0.2864779658693715,0.13666386813789322
EOS-3-11932,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nc5C)ccc4F)n23)cn1,ALELDDMNCPUVIC-UHFFFAOYSA-N,3,1,0.483,4,205,429.459,3.922,5,0.421,0.79,1.0,0.5039493523404839,0.4763895552052635,0.64952710575012,0.5141097251730519,0.5359939346172298
EOS-3-11933,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)cn1,XDWPEHVVUANSDY-UHFFFAOYSA-N,3,1,0.308,32,191,431.463,3.711,6,0.419,0.71,1.0,0.06465458159139195,0.05114454115550682,0.4093619354396546,0.37510280309780003,0.22506596532108836
EOS-3-11934,CNC(=O)c1cc(-c2nnc3cncc(OCc4cn(-c5cnccn5)cn4)n23)ccc1C,FJQDKDSCWDEZIP-UHFFFAOYSA-N,3,1,0.423,7,408,441.455,2.014,5,0.424,0.67,1.0,0.20618017956274415,0.11572202042354876,0.16504180659310533,0.07166232609142623,0.1396515831677061
EOS-3-11935,Cn1nnc(-c2ncc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nn2)n1,CMNVDJXIBXYGIA-UHFFFAOYSA-N,3,1,0.337,99,507,453.405,1.43,6,0.381,0.68,1.0,0.1838890411897745,0.27771400178192035,0.026052018367486808,0.06300116510177507,0.1376640566102392
EOS-3-11936,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)nn1,JAIFHXJCHNUMSN-UHFFFAOYSA-N,3,1,0.338,3,39,451.881,4.149,6,0.397,0.77,1.0,0.020766225755602767,0.1328216023576177,0.4636505380028785,0.5667791789459256,0.2960043862655061
EOS-3-11937,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4nnc5ccccn45)n23)nc1,JJNLULFUVDKOEK-UHFFFAOYSA-N,3,1,0.306,10,934,421.424,2.967,6,0.427,0.77,1.0,0.20618874648756083,0.11906312110204921,0.15876225070248784,0.1706617092728394,0.16366895689123434
EOS-3-11938,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cnn(C)c6)c5)n34)nc2)n(C)n1,FNYOBXGQQBKGLG-UHFFFAOYSA-N,3,1,0.253,70,967,448.494,3.358,6,0.407,0.69,1.0,0.043357206497155784,0.023362003975053114,0.31311253512439174,0.2392742101295319,0.15477648893153315
EOS-3-11939,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)cc2)n1C,CRIYQTLLESYTQZ-UHFFFAOYSA-N,3,1,0.303,98,725,448.494,3.358,6,0.407,0.69,1.0,0.1288551161675005,0.047529298882873,0.19455486258652593,0.1602871633198547,0.13280661023918855
EOS-3-11940,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cc4)n23)cc1,FNYLMEUJKMGDPP-UHFFFAOYSA-N,3,1,0.355,64,885,446.449,4.511,6,0.393,0.81,1.0,0.3139777945308752,0.39510657254471937,0.5496881639366733,0.6190631211020492,0.4694589130285793
EOS-3-11941,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5ccnnc5)n4)n23)ccc1Cl,OFCMBFZSSUIXOG-UHFFFAOYSA-N,3,1,0.523,73,401,434.822,3.41,5,0.414,0.69,1.0,0.757607429237201,0.9269155643890069,0.6798197519018573,0.7137790418751285,0.7695304468507984
EOS-3-11942,Fc1cc(-c2nnc3cncc(OCc4nccc(-c5cccnn5)n4)n23)ccc1Cl,FNANBBVIJWVXRA-UHFFFAOYSA-N,3,1,0.494,59,391,434.822,3.41,5,0.414,0.69,0.999,0.8972483037488863,0.9562915495853609,0.5295301898430539,0.5948701254197793,0.7444850421492701
EOS-3-11943,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)ccc1Cl,ADOXOWUWFJCAMY-UHFFFAOYSA-N,3,1,0.523,4,391,434.822,3.41,5,0.414,0.69,1.0,0.8219707353848262,0.9119234459598382,0.6406432047152354,0.6798711534507573,0.7636021348776643
EOS-3-11944,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)cc1,AMPXTDVTZOAUFC-UHFFFAOYSA-N,3,1,0.286,98,727,434.467,3.049,6,0.42,0.69,1.0,0.059454458227674596,0.04753786580768967,0.27260811459118633,0.25083955863203344,0.157609999314646
EOS-3-11945,Cc1c(-c2cncc(C#N)c2)ncnc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,ZWYHBAHJFFBSBW-UHFFFAOYSA-N,3,1,0.341,50,243,441.405,3.823,5,0.413,0.73,0.229,0.27628332533753686,0.38116818586800083,0.7243934617229799,0.6711071893633062,0.513238040572956
EOS-3-11946,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,UKFCTIPPDPUZRJ-UHFFFAOYSA-N,3,1,0.346,62,341,467.508,4.373,6,0.4,0.84,0.999,0.2902645466383387,0.21651189089164555,0.4241741484476732,0.45414125145637724,0.34627295935850866
EOS-3-11947,N#Cc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)cc1,VMXCSIDGMORUNS-UHFFFAOYSA-N,3,1,0.326,39,495,443.434,2.763,6,0.403,0.69,1.0,0.016979644986635598,0.01906997464190254,0.22592694126516347,0.27468987732163663,0.13416660955383455
EOS-3-11948,Cc1cncc(Cl)c1CCOc1cncc2nnc(-c3cncnc3-c3ncccn3)n12,ALQLHSHTRIDCNP-UHFFFAOYSA-N,3,1,0.457,65,262,445.874,3.017,5,0.388,0.71,1.0,0.7034901651703105,0.6351946405318347,0.16191487903502158,0.20098005619902679,0.42539493523404837
EOS-3-11949,Fc1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)c1,CRDKDMOWSRPRNO-UHFFFAOYSA-N,3,1,0.298,8,973,426.375,2.623,6,0.418,0.7,1.0,0.12320094578849976,0.14757384689191969,0.19456342951134262,0.2746984442464533,0.18500916660955383
EOS-3-11950,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cc2)no1,WNKLKHGURKPRJO-UHFFFAOYSA-N,3,1,0.383,85,357,412.413,2.234,5,0.464,0.85,1.0,0.19799019943800975,0.10659824549379755,0.08902748269481187,0.05850352957302447,0.11302986429991091
EOS-3-11951,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nccnn5)c4)n23)cc1,VTZPOLILHXGFIX-UHFFFAOYSA-N,3,1,0.5,89,571,440.427,1.372,5,0.411,0.66,1.0,0.557638270166541,0.20208518950037693,0.0957525186758961,0.04897710917688986,0.22611327187992597
EOS-3-11952,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,ZGYHBGVPEDIPOY-UHFFFAOYSA-N,3,1,0.338,94,572,437.398,3.499,6,0.408,0.7,1.0,0.34113494619971213,0.41432218490850525,0.4241827153724899,0.4786426564320472,0.41457062572818865
EOS-3-11953,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)cc3F)n12,MITZJLDVTOKVIG-UHFFFAOYSA-N,3,1,0.553,37,460,430.447,3.051,5,0.408,0.73,1.0,0.49887773284901654,0.5587691042423412,0.2546518401754506,0.22160064423274622,0.3834748303748886
EOS-3-11954,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)nn2)o1,UXRFQMBJZZOXEL-UHFFFAOYSA-N,3,1,0.305,99,14,437.427,2.402,6,0.404,0.68,1.0,0.07435234048385991,0.07389829346857651,0.045850181618806114,0.04104413679665547,0.0587862380919745
EOS-3-11955,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cn2)n1,MPTFRFCYJHOODK-UHFFFAOYSA-N,3,1,0.3,99,968,437.427,2.402,6,0.404,0.68,1.0,0.1342608457268179,0.08437564251936125,0.04409396203138921,0.03980193269823864,0.07563309574395174
EOS-3-11956,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccsc4)n23)cn1,NTTGFVOKWVFKJV-UHFFFAOYSA-N,3,1,0.461,7,85,430.453,2.383,5,0.434,0.69,1.0,0.3803286272359674,0.2367469673086149,0.07290453018984305,0.05153005277225687,0.18537754437667053
EOS-3-11957,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncnn6)nn5)n34)cn2)cc1,HAZGCHRQCMAOPN-UHFFFAOYSA-N,3,1,0.324,10,705,437.402,2.425,6,0.409,0.67,1.0,0.010528750599684738,0.14758241381673634,0.2767802069769036,0.3814851620862175,0.20409413336988555
EOS-3-11958,Clc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3cn(-c4ccncc4)nn3)n12,LBWSBKJLTICLPS-UHFFFAOYSA-N,3,1,0.325,10,620,442.83,3.137,6,0.404,0.7,1.0,0.03737749297512165,0.14030909464738536,0.3242152696867932,0.40634637790418754,0.22706205880337194
EOS-3-11959,Cn1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)c(F)c2)n1,WDTNYYIEWWZNNC-UHFFFAOYSA-N,3,1,0.357,50,974,431.435,2.41,5,0.461,0.66,0.355,0.22257727366184635,0.3426684257418957,0.4312589952710575,0.2508481255568501,0.3118382050579124
EOS-3-11960,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)n1,JTOWIGWOTADDNU-UHFFFAOYSA-N,3,1,0.284,30,301,432.451,3.106,6,0.418,0.7,1.0,0.036041052703721474,0.03080666164073744,0.10606709615516415,0.16539305051058872,0.08457696525255294
EOS-3-11961,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3nccnc3-c3ccccn3)n12,QIAIJKQVGSCDAJ-UHFFFAOYSA-N,3,1,0.32,64,979,432.451,3.106,6,0.418,0.7,0.682,0.020774792680419436,0.034070659995887875,0.03292269207045439,0.058512096497841136,0.03657006031115071
EOS-3-11962,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)nc2)cn1,VVPDQFVFSCLJNV-UHFFFAOYSA-N,3,1,0.276,94,892,432.451,3.106,6,0.418,0.7,1.0,0.057655404016174354,0.055119594270440685,0.2510965663765335,0.24792680419436638,0.15294959221437873
EOS-3-11963,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncn5C)nc(CF)n4)n23)cn1,LAYBGXMQGAFKED-UHFFFAOYSA-N,3,1,0.457,7,185,431.435,2.734,5,0.404,0.73,1.0,0.4864471249400315,0.3857343567952848,0.13424371187718456,0.08984134055239532,0.274066633541224
EOS-3-11964,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)n1,BSTCOXWNGHPGEQ-UHFFFAOYSA-N,3,1,0.333,76,387,450.441,3.245,6,0.402,0.7,0.67,0.14495236789801932,0.23675553423343157,0.24041361113014872,0.32348708107737645,0.236402148584744
EOS-3-11965,COCc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,QNASEIAQLFBREG-UHFFFAOYSA-N,3,1,0.494,20,846,440.467,2.806,5,0.359,0.73,1.0,0.4765523267767802,0.3084178603248578,0.20141696936467685,0.14950140497566994,0.28397214036049623
EOS-3-11966,CC(F)(F)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccc(Cl)nn5)cn4)n23)cn1,GETUECHWKVRYMI-UHFFFAOYSA-N,3,1,0.41,50,243,451.828,3.865,5,0.405,0.71,0.988,0.33394729627852787,0.4544325269001439,0.7474042217805497,0.6564834487012542,0.548066873415119
EOS-3-11967,Clc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccncc5)ccn4)n23)c1,YNOJVAQBGJZOGO-UHFFFAOYSA-N,3,1,0.477,18,367,429.871,3.918,5,0.404,0.73,1.0,0.5689723116989925,0.597354533616613,0.5295387567678707,0.5886933726269619,0.5711397436776096
EOS-3-11968,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1F,UZQGSGHAFHEMBR-UHFFFAOYSA-N,3,1,0.347,82,155,412.388,2.548,5,0.481,0.83,1.0,0.1838976081145912,0.192670139126859,0.5295473236926873,0.4877835652114317,0.3484746590363923
EOS-3-11969,Cc1ccc(-c2nnc3cncc(Oc4nnc(-c5nnc(CO)o5)cc4Cl)n23)cn1,GFDSGJAVVJJHHQ-UHFFFAOYSA-N,3,1,0.402,53,706,437.807,2.273,5,0.431,0.72,0.782,0.5689808786238092,0.5632067712973751,0.06048248920567473,0.0716708930162429,0.3160852580357755
EOS-3-11970,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)nn1,BXQRVHWHMWLMGG-UHFFFAOYSA-N,3,1,0.267,10,871,452.869,3.544,6,0.399,0.7,0.131,0.014366732917551915,0.10660681241861421,0.22593550818998012,0.3267510794325269,0.16841503323966828
EOS-3-11971,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)c(F)c5)n34)cn2)on1,FAWAWYBVCRINQX-UHFFFAOYSA-N,3,1,0.315,98,219,454.429,3.146,6,0.395,0.75,1.0,0.24748989102871632,0.34267699266671237,0.2259440751147968,0.2569477760263176,0.2682646837091358
EOS-3-11972,Cc1nn(C)cc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)o1,UAUSKIBMIOJZJS-UHFFFAOYSA-N,3,1,0.299,99,286,439.443,2.346,6,0.406,0.69,0.952,0.07251901857309301,0.030815228565554107,0.02494688506613666,0.016122952504968816,0.036101021177438145
EOS-3-11973,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)nc1,IIUFYYKQQCHUFI-UHFFFAOYSA-N,3,1,0.356,52,229,477.528,3.696,6,0.389,0.84,1.0,0.020783359605236106,0.0013792748954835172,0.019249880063052567,0.06622232883284217,0.02690871084915359
EOS-3-11974,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)ncn4)n23)cn1,QCXYMCXPUBYGCO-UHFFFAOYSA-N,3,1,0.383,7,726,431.847,2.974,5,0.413,0.69,0.991,0.46419882119114525,0.46334212870947844,0.222380234391063,0.23332876430676444,0.3458124871496128
EOS-3-11975,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)cnn4)n23)cc1F,SNCKMWFAAQUHQD-UHFFFAOYSA-N,3,1,0.462,73,82,461.392,1.994,5,0.401,0.69,1.0,0.579920841614694,0.342685559591529,0.3462322664656295,0.305188129668974,0.39350669933520666
EOS-3-11976,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)cn1,XRNCYYPUEHIGBW-UHFFFAOYSA-N,3,1,0.278,70,957,445.49,4.194,6,0.392,0.77,1.0,0.041917963127955586,0.01744225892673566,0.39135425947501884,0.3656020834761154,0.20407914125145638
EOS-3-11977,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3nc(-c4ccc(F)cc4)no3)n12,SAIWOHAIBJBQEG-UHFFFAOYSA-N,3,1,0.385,96,837,415.388,3.055,5,0.478,0.78,1.0,0.3060962236995408,0.3764563772188335,0.3388304434240285,0.32349564800219316,0.336219673086149
EOS-3-11978,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cn5)n34)cn2)nn1,UBCXHRBSOGJPTH-UHFFFAOYSA-N,3,1,0.293,86,780,437.402,2.63,6,0.441,0.65,0.383,0.16447638955520527,0.22160064423274622,0.19103385648687546,0.22427352477554657,0.20034610376259337
EOS-3-11979,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnccn6)nc5)n34)nc2)cc1,NPJDFZLTZJVSRZ-UHFFFAOYSA-N,3,1,0.314,42,327,429.447,3.767,6,0.417,0.72,1.0,0.12586525940648344,0.08438420944417792,0.3277705434857104,0.3784610376259338,0.22912026249057638
EOS-3-11980,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)cn1,NVYREAKTESWWON-UHFFFAOYSA-N,3,1,0.275,30,179,431.463,3.711,6,0.419,0.74,0.997,0.09022685216914536,0.040341648961688716,0.3205828935645261,0.3492221232266466,0.20009337948050168
EOS-3-11981,COc1cc(-c2cnn(C)n2)ccc1-c1nnc2cncc(OCc3ccncc3F)n12,WQZOKKWESDTNKB-UHFFFAOYSA-N,3,1,0.44,16,375,432.419,2.709,5,0.403,0.73,1.0,0.5717394284147762,0.4410338564868755,0.4981324103899664,0.35539030909464736,0.4665740010965664
EOS-3-11982,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)cc1,XNKUWAOYWRZTQG-UHFFFAOYSA-N,3,1,0.351,62,302,421.46,4.611,6,0.448,0.85,1.0,0.18974025083955864,0.06283839353025839,0.4740250839558632,0.55041635254609,0.31925502021794255
EOS-3-11983,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccsc5)c4)n23)cc1,BRXIEFNTEIOMIV-UHFFFAOYSA-N,3,1,0.391,14,357,412.478,3.605,5,0.475,0.87,1.0,0.18668185868000822,0.0702830511959427,0.4496179151531766,0.3751113700226167,0.27042354876293606
EOS-3-11984,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nc5)n34)cc2)nn1,DXDACXHGORPLJM-UHFFFAOYSA-N,3,1,0.282,98,424,446.478,3.414,6,0.405,0.7,1.0,0.07252758549790966,0.058983277362757866,0.21214275923514495,0.1952573504214927,0.1347277431293263
EOS-3-11985,Cc1ccc(-c2nnc3cncc(COc4cccc(-c5nncn5C)n4)n23)c(Cl)c1,OWSGFJMRKOQDNM-UHFFFAOYSA-N,3,1,0.392,36,487,432.875,3.523,5,0.419,0.7,1.0,0.37332944966074977,0.4895911863477486,0.28784867384003837,0.31138201631142487,0.3655378315399904
EOS-3-11986,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)nc4)n23)cc1,GKNKXNATVCSZMZ-UHFFFAOYSA-N,3,1,0.37,39,495,463.465,2.509,6,0.375,0.72,1.0,0.09480159002124597,0.05115310808032349,0.07511479679254335,0.06979473648139264,0.07271605784387636
EOS-3-11987,N#Cc1cc(OCC2CCCO2)cc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4Cl)n23)c1,GARYEQFFEHTHOE-UHFFFAOYSA-N,3,1,0.37,0,999,474.908,3.64,5,0.451,0.73,0.998,0.4616287437461449,0.4633506956342951,0.5731615379343431,0.6509492152696867,0.5372725481461175
EOS-3-11988,Fc1ccnc(-c2ccnc(-c3nnc4cncc(OCCc5cnc(F)cn5)n34)c2)c1,VALJZMFKBUHSBF-UHFFFAOYSA-N,3,1,0.398,18,181,432.394,2.938,5,0.403,0.68,1.0,0.5947330546227126,0.49910047289424986,0.4496264820779933,0.46675176478651226,0.5025529435953671
EOS-3-11989,CC(C)(O)c1cnc(-c2nnc3cncc(OCc4ccc(C(=O)NC5CC5)nc4)n23)cn1,UCVFTTNPERKOQW-UHFFFAOYSA-N,3,1,0.489,63,66,446.471,1.675,5,0.434,0.78,0.933,0.21721437872661228,0.08439277636899459,0.05844356109930779,0.023670413268453157,0.09593028236584196
EOS-3-11990,Cn1ncc(-c2cnnc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)n1,OTPHIICVXGDTPC-UHFFFAOYSA-N,3,1,0.308,33,647,453.47,1.255,6,0.402,0.66,0.805,0.05087039956137345,0.014478102940168597,0.012344938660818313,0.01286752107463505,0.022640240559248855
EOS-3-11991,CCc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c(F)c2)n[nH]1,ALEXGXDRUAQSRB-UHFFFAOYSA-N,3,1,0.33,96,336,428.431,3.044,5,0.443,0.72,0.891,0.2445171681173326,0.272693783839353,0.3687632787334658,0.31748166678089235,0.30086397436776097
EOS-3-11992,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cn2)nn1,BOTYXXXSQYBNHH-UHFFFAOYSA-N,3,1,0.357,93,651,430.475,4.316,6,0.414,0.83,1.0,0.06298403125214173,0.08088890411897745,0.5051487218148174,0.5504249194709068,0.29986164416421085
EOS-3-11993,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)nn2)c1,ALGLWJHEERAAKH-UHFFFAOYSA-N,3,1,0.292,10,37,436.414,3.03,6,0.414,0.69,0.977,0.0037351792200671645,0.09682338427797958,0.35769481187033103,0.43798403125214175,0.22405935165512988
EOS-3-11994,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)cc1F,RFBVZHQYSVRMNJ-UHFFFAOYSA-N,3,1,0.722,59,293,434.381,4.245,5,0.412,0.76,1.0,0.9837913782468645,0.9680282365841958,0.9319272154067576,0.9213813309574396,0.9512820402988144
EOS-3-11995,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cc(-c5cc(Cl)c(C)nn5)ncn4)n23)cc1,ORLAYUZQMFKKQE-UHFFFAOYSA-N,3,1,0.406,89,310,473.884,3.152,5,0.408,0.76,1.0,0.6765643204715236,0.46752278802001235,0.25110513330135015,0.17352306216160646,0.39217882598862314
EOS-3-11996,Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cnncn5)cc4Cl)n23)nc1C,UVPWSMCKLVXRLB-UHFFFAOYSA-N,3,1,0.446,7,677,445.874,3.283,5,0.401,0.71,1.0,0.5371290521554383,0.6446182578301692,0.25466040710026727,0.25389795079158384,0.42257641696936465
EOS-3-11997,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nccn5C)cn4)n23)nc1,UKUZCOGVYCVZTL-UHFFFAOYSA-N,3,1,0.283,86,780,435.455,2.444,6,0.414,0.65,1.0,0.07861866904256049,0.030823795490370776,0.06444040847097526,0.052763689945857034,0.05666164073744089
EOS-3-11998,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)nc1,DVUCYBLXDMUYHQ-UHFFFAOYSA-N,3,1,0.494,27,343,450.384,3.694,5,0.386,0.72,1.0,0.8342214378726612,0.8487766431361798,0.7323264341032143,0.6970221369337263,0.7780866630114454
EOS-3-11999,COc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnn(C)c6)c5)n34)cc2)ccn1,XSNMUMRJQBMWHU-UHFFFAOYSA-N,3,1,0.322,42,150,449.478,3.448,6,0.397,0.72,1.0,0.0629925981769584,0.09983037488862997,0.4740336508806799,0.35539887601946407,0.2480638749914331
EOS-3-12000,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cc4)n23)nc1,DVFIZZRJIGFUPS-UHFFFAOYSA-N,3,1,0.385,6,247,449.478,3.352,6,0.384,0.73,1.0,0.3915598656706189,0.17993968884929065,0.3988503186896032,0.3113905832362415,0.32043511411143855
EOS-3-12001,Fc1cc(COc2cncc3nnc(-c4nncnc4-c4ccccn4)n23)cc(Cl)n1,ONZYJTIUVRKTTP-UHFFFAOYSA-N,3,1,0.433,46,565,435.81,2.805,5,0.384,0.74,1.0,0.6547786306627373,0.5587776711671578,0.29488211911452267,0.38791892262353506,0.47408933589198826
EOS-3-12002,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)cc1,RWCBSPUKNSVPRH-UHFFFAOYSA-N,3,1,0.324,98,882,438.48,3.167,6,0.412,0.69,1.0,0.021717154410252897,0.030832362415187445,0.17145843328078952,0.18185868000822425,0.10146665752861353
EOS-3-12003,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncs5)n34)c2)nc1,FQTUDYGKOKDPFH-UHFFFAOYSA-N,3,1,0.477,18,181,435.9,3.98,5,0.398,0.77,1.0,0.5603368514837914,0.5587862380919745,0.335258035775478,0.409738880131588,0.466030001370708
EOS-3-12004,COc1ncccc1CCOc1cncc2nnc(-c3cccc(-c4cnn(C)c4)c3)n12,IYVLWTCJHYVCPB-UHFFFAOYSA-N,3,1,0.556,15,545,427.468,3.217,5,0.394,0.79,1.0,0.3756082516619834,0.18403467891165787,0.342377150298129,0.2131365225138784,0.27878915084641215
EOS-3-12005,Cc1cnc(-c2nnc3cncc(-c4cnccc4OCc4ccc(Cl)c(F)c4)n23)cn1,NTXKVJKVKFTMMU-UHFFFAOYSA-N,3,1,0.402,50,575,447.861,4.323,5,0.396,0.78,1.0,0.49373757795901585,0.535304297169488,0.7904787197587554,0.785201494071688,0.6511805222397369
EOS-3-12006,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ncccn6)[nH]5)n34)cc2)n(C)n1,LWFQWPKORFHKEA-UHFFFAOYSA-N,3,1,0.275,98,407,435.455,2.742,6,0.448,0.69,1.0,0.05766397094099102,0.051161675005140156,0.08417003632376122,0.08099170721677747,0.06849684737166746
EOS-3-12007,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4cccnc4-c4cnccn4)n23)cn1,LQISLMOSICGQMA-UHFFFAOYSA-N,3,1,0.302,10,673,435.426,3.635,6,0.417,0.67,1.0,0.004163525460900555,0.14392433692001919,0.46365910492769513,0.5205520526351861,0.28307475498595025
EOS-3-12008,COc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)cn1,GUVUZWSBUQYBSY-UHFFFAOYSA-N,3,1,0.581,84,657,443.442,3.413,5,0.377,0.75,1.0,0.7067370296758275,0.6548385991364539,0.5595915290247413,0.4667603317113289,0.5969818723870879
EOS-3-12009,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(C)nn5)cn4)n23)cc1,CPRSBUKSHFLLNI-UHFFFAOYSA-N,3,1,0.517,89,926,453.466,2.285,5,0.411,0.69,1.0,0.3938386676718525,0.20209375642519362,0.13425227880200125,0.058520663422657805,0.1971763415804263
EOS-3-12010,Fc1cccnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,RGEYFOAGRMKOFT-UHFFFAOYSA-N,3,1,0.535,34,633,433.834,4.015,5,0.413,0.74,1.0,0.908265369063121,0.9600438626550614,0.6771640052086902,0.737826399835515,0.8208249091905969
EOS-3-12011,Cn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)n1,QKVUVKJMGKVEQL-UHFFFAOYSA-N,3,1,0.65,36,408,451.397,2.557,5,0.368,0.73,1.0,0.5064166266876842,0.5973631005414296,0.5016534164896169,0.40974744705640465,0.5037951476937839
EOS-3-12012,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(Cl)c4)n23)cc1,APFQHJIJVWXTKX-UHFFFAOYSA-N,3,1,0.443,61,999,412.28,4.515,4,0.535,0.9,1.0,0.38033719416078404,0.4586474539099445,0.7969724487697896,0.8181927215406758,0.6135374545952985
EOS-3-12013,Clc1cnccc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)ccn3)n12,COPXNRKPDPCJEZ-UHFFFAOYSA-N,3,1,0.477,18,324,430.859,3.313,5,0.404,0.69,1.0,0.6643221849085053,0.6495870742238367,0.442515934480159,0.4729713522034131,0.5573491364539785
EOS-3-12014,OCc1cc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cc4)n23)ccc1Cl,SUVDQOZOQASNJS-UHFFFAOYSA-N,3,1,0.59,43,230,434.843,3.566,5,0.431,0.75,1.0,0.8749828661503667,0.7541977931601672,0.7661229525049689,0.7378349667603317,0.7832846446439586
EOS-3-12015,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccccc4)n23)cn1,HOWSWUNZMFNVTJ-UHFFFAOYSA-N,3,1,0.368,96,204,413.466,3.336,5,0.485,0.81,0.974,0.12587382633130012,0.09372215749434583,0.1256425193612501,0.11780378315399904,0.11576057158522376
EOS-3-12016,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)nc1,JWZMTNKNXCHXCX-UHFFFAOYSA-N,3,1,0.518,16,82,435.369,3.64,5,0.389,0.75,1.0,0.8749914330751833,0.792526214789939,0.8244123089575766,0.7921835377972722,0.8210283736549928
EOS-3-12017,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cc1,NAHDSIMNLYSQEY-UHFFFAOYSA-N,3,1,0.293,42,339,431.463,3.711,6,0.419,0.72,1.0,0.09481015694606264,0.03084092934000411,0.3316085258035775,0.32675964635734356,0.19600481461174696
EOS-3-12018,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnn(C)n5)nc4)n23)cn1,VFQUTYPWSHPPDX-UHFFFAOYSA-N,3,1,0.505,92,760,443.431,0.71,5,0.397,0.72,1.0,0.3458210540744294,0.15155746693167021,0.019258446987869233,0.00562846960455075,0.1305663593996299
EOS-3-12019,CCn1c(-c2cncnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,AUZFIRLUYFVOKG-UHFFFAOYSA-N,3,1,0.26,86,934,447.466,2.984,6,0.392,0.72,0.999,0.029624426016037285,0.021160304297169488,0.05288362689329038,0.08984990747721198,0.048379566170927285
EOS-3-12020,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)nc1,YTRQRXKPTGSYRS-UHFFFAOYSA-N,3,1,0.255,99,813,435.455,2.444,6,0.414,0.67,1.0,0.043365773421972446,0.043819820437255845,0.11423994243026524,0.10407956959769721,0.07637627647179768
EOS-3-12021,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cnccn4)c3)n12,NORNDQKBFMDUBV-UHFFFAOYSA-N,3,1,0.566,35,161,431.406,3.543,5,0.406,0.71,1.0,0.9446919333835926,0.9056867246933041,0.7775255294359537,0.7610770337879514,0.8472453053252004
EOS-3-12022,FC(F)(F)c1cc(Cl)c(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)cn1,SBWACYPWFWMELN-UHFFFAOYSA-N,3,1,0.476,68,811,442.188,3.881,4,0.443,0.66,1.0,0.8709735453361661,0.8964087451168529,0.9715321088342129,0.947390514700843,0.9215762284970188
EOS-3-12023,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)ncc1F,XMSSDDIQSYBJAI-UHFFFAOYSA-N,3,1,0.387,50,243,434.385,4.09,5,0.42,0.73,1.0,0.3803457610856007,0.5123877732849017,0.727100609965047,0.6537591666095538,0.5683983277362757
EOS-3-12024,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)cc1,LBVSIYLBYWVKME-UHFFFAOYSA-N,3,1,0.511,66,12,479.369,3.174,4,0.406,0.82,0.996,0.6200140497566994,0.5494054554177232,0.922734905078473,0.7734219724487698,0.7163940956754163
EOS-3-12025,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cn1,IARWJUOYALAQKW-UHFFFAOYSA-N,3,1,0.329,10,151,452.869,3.544,6,0.399,0.71,0.999,0.011188403810568159,0.15559248852032073,0.4460026728805428,0.5634466451922417,0.29405755260091837
EOS-3-12026,Cc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cn2)cn1,YWILAODLZLFMNA-UHFFFAOYSA-N,3,1,0.573,73,863,448.849,3.718,5,0.4,0.73,1.0,0.9082739359879378,0.9317387430607909,0.54969673086149,0.5571927900760743,0.7367255499965732
EOS-3-12027,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1,WPQYXJVGNGYTML-UHFFFAOYSA-N,3,1,0.346,25,791,466.896,3.759,6,0.386,0.78,1.0,0.17816633541224042,0.2270063737920636,0.3352666027002947,0.4379925981769584,0.29460797752038925
EOS-3-12028,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ccn2)nn1,BSVMAUCOVXMJEE-UHFFFAOYSA-N,3,1,0.605,19,241,427.443,3.712,5,0.408,0.76,1.0,0.7866750051401549,0.7221232266465629,0.5194126516345693,0.4908762250702488,0.629771777122884
EOS-3-12029,OCc1cc(COc2cncc3nnc(-c4cncc(-c5cnc(F)cn5)c4)n23)ccn1,ZGVTUHRONCWYND-UHFFFAOYSA-N,3,1,0.418,2,422,430.403,2.249,5,0.432,0.71,1.0,0.5189329038448358,0.4763981221300802,0.5161143855801521,0.4225121650332397,0.4834893941470769
EOS-3-12030,OCc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1Cl,LUNWKYOVJAYWST-UHFFFAOYSA-N,3,1,0.595,90,281,416.268,3.607,4,0.517,0.77,1.0,0.8955777534096361,0.9031680487972038,0.8620039750531149,0.8905575354670687,0.8878268281817558
EOS-3-12031,Cc1cc(-n2nnc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)n2)n(C)n1,KDECRSHVYPSUDO-UHFFFAOYSA-N,3,1,0.321,8,952,436.443,1.933,6,0.407,0.68,1.0,0.011196970735384826,0.01907854156671921,0.010725789870468096,0.011059899938318142,0.01301530052772257
EOS-3-12032,CCn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3ccc(-c4nncn4C)nc3)n12,NUQNMOUTHPQBRL-UHFFFAOYSA-N,3,1,0.333,8,474,449.482,2.927,6,0.394,0.71,1.0,0.08503529573024467,0.04754643273250634,0.019267013912685902,0.031029401685970803,0.045719536015351926
EOS-3-12033,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)nc2)ccn1,NTIASRCFIUVTRF-UHFFFAOYSA-N,3,1,0.291,42,664,435.426,3.635,6,0.39,0.74,0.998,0.0041720923857172226,0.12607943252690015,0.5226081145911864,0.5405986567061888,0.29836457405249817
EOS-3-12034,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)n1,SWKKZIOJDXBZPH-UHFFFAOYSA-N,3,1,0.31,32,191,433.435,3.669,6,0.41,0.74,1.0,0.19512027962442602,0.13283016928243438,0.1876242204098417,0.1818672469330409,0.17436047906243576
EOS-3-12035,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4)n23)c1,XYHVDIFMDVEZAK-UHFFFAOYSA-N,3,1,0.264,86,899,421.428,2.434,6,0.46,0.72,0.993,0.0462528270851895,0.02568364060037009,0.14340175450620246,0.1495099719004866,0.09121204852306217
EOS-3-12036,Fc1cc(F)cc(-c2nnc3cncc(OCc4nccc(-c5ccnnc5)n4)n23)c1,VZMGGUQLKUEFDW-UHFFFAOYSA-N,3,1,0.561,73,335,418.367,2.896,5,0.429,0.76,1.0,0.5551281611952573,0.630028784867384,0.5792354876293606,0.5856092796929614,0.5875004283462408
EOS-3-12038,Fc1ccnc(-c2ncncc2-c2nnc3cncc(-c4ccc(-n5cccn5)cc4)n23)c1,WGFFSAPICDELMI-UHFFFAOYSA-N,3,1,0.302,10,615,435.426,3.635,6,0.417,0.7,1.0,0.03342814063463779,0.1260879994517168,0.5051572887396341,0.5537146186005072,0.30459701185662397
EOS-3-12039,N#Cc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccno5)c4)n23)nc1,HDGMJWKWFQWWLI-UHFFFAOYSA-N,3,1,0.566,4,253,429.827,3.945,5,0.412,0.8,1.0,0.7251559180316633,0.8418460009594956,0.7993026523199233,0.8010588719073402,0.7918408608046057
EOS-3-12040,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c1,RMMBJNQDAIAQTD-UHFFFAOYSA-N,3,1,0.62,2,328,435.85,3.958,5,0.415,0.75,1.0,0.7281457747926804,0.6548471660612707,0.847894249880063,0.8361918305804948,0.7667697553286272
EOS-3-12041,COc1ncc(F)cc1-c1ccc(COc2cncc3nnc(-c4ccc(C)nc4)n23)nc1,LBYWRGQGNSMOIN-UHFFFAOYSA-N,3,1,0.529,4,205,443.442,3.678,5,0.392,0.76,1.0,0.6884809128915085,0.7083476115413612,0.5565502707148242,0.3912600233020355,0.5861597046124324
EOS-3-12042,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)cn4)n23)c(F)c1,FIMMFNWPQJLENJ-UHFFFAOYSA-N,3,1,0.306,99,654,454.433,1.978,6,0.392,0.66,1.0,0.1979987663628264,0.2727023507641697,0.10607566307998081,0.13990644918100198,0.17917080734699475
EOS-3-12043,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cccc(F)c5)n4)n23)cc1,XBGJUUQPGPMMST-UHFFFAOYSA-N,3,1,0.387,62,302,468.467,4.691,6,0.405,0.86,1.0,0.21996436159276267,0.28819991775752174,0.604884860530464,0.7051949832088273,0.45456103077239396
EOS-3-12044,CCn1cncc1-c1cc(C)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,VNNUCHYBLYMWAZ-UHFFFAOYSA-N,3,1,0.312,52,582,464.533,3.937,6,0.408,0.78,0.988,0.15899355767253787,0.03084949626482078,0.14631450894386952,0.13991501610581866,0.1190181447467617
EOS-3-12045,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)cc(F)c4F)n23)cc1,NQTXNXQHJCPWSA-UHFFFAOYSA-N,3,1,0.536,43,178,434.406,4.315,5,0.407,0.78,1.0,0.9019601123980536,0.7711346035227195,0.77506682201357,0.702624905763827,0.7876966109245425
EOS-3-12046,CCn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cccnn5)n34)c2)cn1,IENSFCDNVYXTOK-UHFFFAOYSA-N,3,1,0.495,37,545,430.447,3.225,5,0.391,0.75,1.0,0.3664245082585155,0.395115139469536,0.33161709272839424,0.3113991501610582,0.35113897265437605
EOS-3-12047,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)nc2)n1,LINMUPPYYARULD-UHFFFAOYSA-N,3,1,0.449,59,445,437.385,3.583,5,0.391,0.74,1.0,0.6143341786032486,0.5216914536358029,0.8745373860599,0.8281132204783771,0.709669059694332
EOS-3-12048,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5cnnc(-c6ncccn6)c5)n34)cc2)CC1,SHJQHZVTTQYQBH-UHFFFAOYSA-N,3,1,0.351,52,916,463.505,2.911,6,0.408,0.73,1.0,0.13426941265163456,0.058991844287574535,0.03962202727708861,0.061519087108491535,0.07360059283119731
EOS-3-12049,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cc1,YRSWNBLMLPAHDM-UHFFFAOYSA-N,3,1,0.324,67,642,454.885,3.488,6,0.375,0.76,1.0,0.028562127338770477,0.15156603385648687,0.3242238366116099,0.3879274895483517,0.22306987183880472
EOS-3-12050,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)n5)n34)cn2)s1,POAPKDBEIKLQCR-UHFFFAOYSA-N,3,1,0.474,20,279,435.448,2.564,5,0.396,0.72,0.999,0.5474179288602563,0.6396665752861352,0.049174148447673226,0.055625042834624085,0.32297092385717224
EOS-3-12051,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nn1,ZQFOIRDRNXLBRU-UHFFFAOYSA-N,3,1,0.316,99,286,435.415,1.291,6,0.394,0.68,0.999,0.10721506408059762,0.07390686039339318,0.01337296963881845,0.021280241244602836,0.05394378383935303
EOS-3-12052,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)cc1)N1CC(F)C1,LKMHOIMMJIWVFQ-UHFFFAOYSA-N,3,1,0.349,62,376,468.467,4.453,6,0.39,0.84,1.0,0.25019703927078335,0.277722568706737,0.5161229525049689,0.6537677335343705,0.42445257350421495
EOS-3-12053,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)cn4)n23)nc1,WRFRUWHSLDPQAL-UHFFFAOYSA-N,3,1,0.404,33,53,457.429,2.116,5,0.381,0.69,0.999,0.44548865739154275,0.28820848468233845,0.24396888492906585,0.15209718319512028,0.2824408025495168
EOS-3-12054,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)n2)n1C,ODSRVDGJTHASBI-UHFFFAOYSA-N,3,1,0.495,36,250,459.445,2.107,5,0.407,0.68,0.998,0.4132170516071551,0.2777311356315537,0.09576108560071277,0.07167945994105955,0.21459718319512028
EOS-3-12055,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)nn1,RYYMBKXGBRJKFM-UHFFFAOYSA-N,3,1,0.342,93,774,431.463,3.711,6,0.419,0.76,1.0,0.04626139401000617,0.051170241929956825,0.39885888561441984,0.46039510657254473,0.2391714070317319
EOS-3-12056,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5F)n34)cc2)nn1,CNUORHMVLLAZBN-UHFFFAOYSA-N,3,1,0.351,9,340,439.414,3.443,6,0.411,0.69,1.0,0.1897488177643753,0.26752792817490234,0.4882119114522651,0.4877921321362484,0.35832019738194776
EOS-3-12057,Cn1c(-c2cccc(F)c2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,YOSFJLQRVLWRMJ-UHFFFAOYSA-N,3,1,0.395,30,474,449.453,3.85,6,0.403,0.75,1.0,0.0948187238708793,0.28293125899527105,0.24397745185388253,0.39406140771708587,0.2539472106092797
EOS-3-12058,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4)n23)cn1,VYRKHMZPNFSXBU-UHFFFAOYSA-N,3,1,0.27,98,882,422.416,1.829,6,0.45,0.69,1.0,0.16176924131313825,0.10981084230004798,0.0815399904050442,0.09182030018504557,0.111235093550819
EOS-3-12059,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncn(Cc6cccc(Cl)c6)n5)n34)cc2)nn1,IEICQCWOWSHMTL-UHFFFAOYSA-N,3,1,0.308,98,973,468.912,3.547,6,0.381,0.77,1.0,0.07060859433897608,0.24213556301829894,0.272616681516003,0.37846960455075046,0.24095761085600714
EOS-3-12060,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5cnncc5F)c4)n23)c(C)n1,XKWSYOCVSZMRJZ-UHFFFAOYSA-N,3,1,0.494,72,506,427.443,3.978,5,0.419,0.76,1.0,0.6456548557329861,0.5678072099239257,0.6466400520869029,0.5537231855253238,0.6034563258172846
EOS-3-12061,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(C)n5)cc4F)n23)cn1,RWRMWWWVUOVSAV-UHFFFAOYSA-N,3,1,0.494,97,205,427.443,3.978,5,0.419,0.76,1.0,0.8530943732437805,0.7796072921664039,0.6549242683846207,0.5371461860050716,0.7061930299499691
EOS-3-12062,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cnc(Cl)c(F)c5F)n34)cc2)COC1,RRPWQPSMGVVLNQ-UHFFFAOYSA-N,3,1,0.365,0,999,456.84,3.304,5,0.473,0.66,0.97,0.3959718319512028,0.44104242341169214,0.7114145706257282,0.6943920910150092,0.560705229250908
EOS-3-12063,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)nc5)n34)cn2)n1,WDAUBEIGEAZZDU-UHFFFAOYSA-N,3,1,0.323,86,459,434.423,3.064,6,0.407,0.7,1.0,0.2034044959221438,0.14393290384483587,0.11127578644369818,0.10833733123158111,0.14173762936056472
EOS-3-12064,c1cnnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)c1,ZVTPKRYPXKBRDD-UHFFFAOYSA-N,3,1,0.287,76,368,429.447,3.767,6,0.417,0.73,0.962,0.08741690082927832,0.08440134329381126,0.36142142416558154,0.3912685902268522,0.23112706462888083
EOS-3-12065,Cn1ccc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n2)n1,XWKYTMNNONVAOE-UHFFFAOYSA-N,3,1,0.321,64,176,449.453,3.85,6,0.403,0.73,0.995,0.09023541909396203,0.1926787060516757,0.32423240353642657,0.39127715715166883,0.2496059214584333
EOS-3-12066,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c(F)cn2)o1,PVJQVOVPJRPJCC-UHFFFAOYSA-N,3,1,0.608,34,483,421.367,3.402,5,0.425,0.77,1.0,0.9223922280858063,0.812487149612775,0.5464670002056062,0.5472037557398396,0.7071375334110068
EOS-3-12067,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(C#N)c5)n34)cc(C)n2)cn1,MDLQIEDQBKYGQE-UHFFFAOYSA-N,3,1,0.5,89,205,434.463,3.711,5,0.411,0.74,1.0,0.5689894455486258,0.45865602083476115,0.5887876087999452,0.44146220272770886,0.5144738194777603
EOS-3-12068,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(C#N)cn5)cn4)n23)cc1,NKWUNAPEUHNJJT-UHFFFAOYSA-N,3,1,0.338,98,42,457.461,2.977,6,0.391,0.71,1.0,0.17243506270988965,0.14394147076965252,0.29866013295867316,0.29559317387430606,0.22765746007813037
EOS-3-12069,Cc1csc(COc2cncc3nnc(-c4cccc(-c5cnc(CO)nc5)c4)n23)n1,QRGJQRZETLMRNZ-UHFFFAOYSA-N,3,1,0.5,4,506,431.481,3.085,5,0.437,0.76,1.0,0.3733380165855664,0.38574292372010144,0.1714670002056062,0.13094544582276746,0.2653733465835104
EOS-3-12070,Cc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nn1,CYKHLDSVZWCAAG-UHFFFAOYSA-N,3,1,0.58,72,796,427.443,3.712,5,0.408,0.74,1.0,0.7125625385511617,0.6888150229593585,0.47749468850661364,0.44458056336097596,0.5808632033445275
EOS-3-12071,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ccn4)n23)cn1,OWLJIQGZOFYCEH-UHFFFAOYSA-N,3,1,0.523,27,69,450.384,3.636,5,0.4,0.73,1.0,0.6972791446782263,0.7496830237817833,0.8928277705434857,0.7610856007127681,0.7752188849290658
EOS-3-12072,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cc2)n1,KSTUIDJRZLIPNI-UHFFFAOYSA-N,3,1,0.312,9,508,432.451,3.106,6,0.418,0.71,1.0,0.11796655472551573,0.07391542731820985,0.254668974025084,0.2806524569940374,0.18180085326571174
EOS-3-12073,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)c(F)c5)n4)n23)cc1,SMRGAVWXPFJYKB-UHFFFAOYSA-N,3,1,0.362,61,331,464.411,3.017,5,0.415,0.68,1.0,0.18390617503940784,0.267536495099719,0.522616681516003,0.5039236515660338,0.36949575080529096
EOS-3-12074,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nncc(F)c5F)c4)n23)cn1,AMAGJVOYPUBZAW-UHFFFAOYSA-N,3,1,0.473,43,909,431.406,3.809,5,0.418,0.75,1.0,0.8139178260571586,0.7670396134603523,0.7612055376602015,0.7111918305804948,0.7633387019395519
EOS-3-12075,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ncn1,SUDLUVIDHMULPH-UHFFFAOYSA-N,3,1,0.396,46,488,436.838,3.353,5,0.417,0.69,0.779,0.552686587622507,0.5036409430470838,0.6168100198752656,0.6423223219793023,0.5788649681310397
EOS-3-12076,Clc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ncccn4)cnn3)n12,IJXQDWUNBSKGFT-UHFFFAOYSA-N,3,1,0.614,19,73,430.859,3.313,5,0.404,0.71,1.0,0.6643307518333219,0.7221317935713796,0.3316256596532109,0.42562195874169007,0.5359275409499006
EOS-3-12077,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)n(C)n1,YHZJZORUXKPECY-UHFFFAOYSA-N,3,1,0.324,38,170,446.478,3.414,6,0.405,0.71,1.0,0.06466314851620862,0.055128161195257354,0.21537248989102872,0.2042269207045439,0.13484768007675965
EOS-3-12078,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(F)c(Cl)c5)c4)n23)cn1,NHQVYQCYAOLDDO-UHFFFAOYSA-N,3,1,0.469,59,772,464.848,2.842,5,0.409,0.74,1.0,0.45032896991296006,0.4143307518333219,0.5226252484408197,0.507144815297101,0.4736074463710506
EOS-3-12079,Cc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(C#N)c5)n34)c2)n1,PPGJPGDEUUINKP-UHFFFAOYSA-N,3,1,0.554,15,921,434.463,3.445,5,0.399,0.71,1.0,0.9036820642862038,0.717608457268179,0.46018950037694467,0.3686861764101158,0.6125415495853608
EOS-3-12080,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)nc1,WMTZALDGVVKTFV-UHFFFAOYSA-N,3,1,0.494,2,131,431.406,3.809,5,0.418,0.73,1.0,0.792140703173189,0.6987098211226098,0.7474127887053663,0.705203550133644,0.7358667157837023
EOS-3-12081,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)nc3)n12,FOTMJRWSKHIVFA-UHFFFAOYSA-N,3,1,0.597,90,255,423.757,4.577,4,0.45,0.81,1.0,0.9633763964087451,0.9774432869577137,0.9941573572750325,0.9888030292646152,0.9809450174765266
EOS-3-12082,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)cn4)n23)cn1,RTBKIZYMLUYMEU-UHFFFAOYSA-N,3,1,0.438,7,85,443.402,1.855,5,0.388,0.7,1.0,0.5064251936125008,0.3187667055033925,0.21882496059214585,0.16029573024467136,0.3010781474881776
EOS-3-12083,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)n4C)n23)cc1,MSUBPLYZSYNLDS-UHFFFAOYSA-N,3,1,0.432,8,642,468.912,3.703,6,0.388,0.75,1.0,0.09482729079569598,0.2936142142416558,0.17493660475635667,0.30176992666712354,0.21628700911520798
EOS-3-12084,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6nccc(C#N)n6)[nH]5)n34)cn2)ccn1,HIBDUSGNMQQMKQ-UHFFFAOYSA-N,3,1,0.26,86,407,458.449,2.67,6,0.416,0.69,0.997,0.15900212459735452,0.15560105544513742,0.1554982523473374,0.16540161743540538,0.1588757624563087
EOS-3-12085,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4F)n23)cc1,UXHCESKNQJAHTR-UHFFFAOYSA-N,3,1,0.356,62,302,468.467,4.691,6,0.405,0.85,1.0,0.26060585292303473,0.3187752724282092,0.6466486190117195,0.7324977725995476,0.4896318792406278
EOS-3-12086,CCn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnc(C)c6)cn5)n34)nn2)cn1,UVXQQXLUCHBJMO-UHFFFAOYSA-N,3,1,0.241,99,312,449.482,3.021,6,0.394,0.7,1.0,0.0033753683777671168,0.004617572476183949,0.12833253375368378,0.11311767527928175,0.06236078747172914
EOS-3-12087,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)n5)ccn4)n23)cc1,IWDSIRWUXSUKEX-UHFFFAOYSA-N,3,1,0.56,4,71,433.834,4.015,5,0.386,0.77,1.0,0.8955863203344527,0.9138253032691385,0.734887944623398,0.7430607908984991,0.8218400897813721
EOS-3-12088,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cccnn4)c3)n12,GNQMSPFVCGPRBT-UHFFFAOYSA-N,3,1,0.547,35,161,431.406,3.543,5,0.406,0.72,1.0,0.9388664245082585,0.8964173120416695,0.7683332191076692,0.7636128435336852,0.8418074497978206
EOS-3-12089,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5nnc(F)s5)c4)n23)cc1F,HJJCSWILZYRINA-UHFFFAOYSA-N,3,1,0.315,74,768,464.461,3.4,5,0.424,0.68,1.0,0.2762918922623535,0.27773970255637037,0.27678877390172024,0.259826262764718,0.2726616578712905
EOS-3-12090,Cc1ccc(-c2ccnc(-c3nnc4cncc(Cc5cc(F)cc(Cl)c5)n34)c2)nn1,PYFLDVGCAHOHMB-UHFFFAOYSA-N,3,1,0.358,14,81,431.862,4.335,5,0.421,0.76,0.52,0.2365841957370982,0.26237063943526834,0.7038756767870605,0.7584641217188678,0.4903236584195737
EOS-3-12092,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)ccc1Cl,CUNOVKWIRHTNLT-UHFFFAOYSA-N,3,1,0.523,73,817,434.822,3.41,5,0.414,0.71,1.0,0.8485282023164965,0.9420276197656089,0.687795558906175,0.7026334726886437,0.7952462134192311
EOS-3-12093,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4cncnc4)n23)cc1,QQNJQDGHYUIQSD-UHFFFAOYSA-N,3,1,0.346,74,333,414.454,2.731,5,0.481,0.81,1.0,0.13427797957645124,0.08089747104379412,0.16828010417380576,0.12015968747858269,0.12590381056815847
EOS-3-12094,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5F)n34)cn2)n1,KRVSAGNUCKVZGY-UHFFFAOYSA-N,3,1,0.31,98,765,454.433,1.978,6,0.392,0.68,1.0,0.18975738468919195,0.277748269481187,0.09342231512576246,0.1154992803783154,0.1691068124186142
EOS-3-12095,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cn4)n23)c1,NLVOELPKWNTLQB-UHFFFAOYSA-N,3,1,0.284,25,213,422.412,2.699,6,0.421,0.73,1.0,0.0612620793639915,0.04382838736207251,0.14341032143101912,0.17616167500514016,0.10616561579055582
EOS-3-12096,COc1cccc(COc2cncc3nnc(-c4cncnc4-c4cc(F)ccn4)n23)c1,AWVMDGNXVZAGII-UHFFFAOYSA-N,3,1,0.484,24,912,429.415,3.37,5,0.405,0.74,1.0,0.7219861558494962,0.7035158659447605,0.5763655678157769,0.5002998423685834,0.6255418579946542
EOS-3-12097,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)c1,YIBCRNUHVZYMSL-UHFFFAOYSA-N,3,1,0.273,99,286,437.431,1.234,6,0.395,0.67,1.0,0.09239428414776232,0.036974847508738265,0.02189705983140292,0.02205983140291961,0.04333150572270578
EOS-3-12098,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)nc2)n[nH]1,LHMPYMUFNWVTAH-UHFFFAOYSA-N,3,1,0.24,98,369,433.439,2.799,6,0.445,0.67,1.0,0.08504386265506134,0.08090603796861079,0.17147556713042286,0.17909156329244055,0.1291292577616339
EOS-3-12099,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nc1,VLPYDXCKMONJOD-UHFFFAOYSA-N,3,1,0.31,38,193,437.492,3.772,6,0.414,0.71,1.0,0.1072236310054143,0.10661537934343088,0.2511137002261668,0.26885580152148586,0.18345212802412447
EOS-3-12100,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cc1,IWWVWAAFPIGKIP-UHFFFAOYSA-N,3,1,0.31,38,727,437.492,3.772,6,0.414,0.71,1.0,0.09963333561784662,0.09983894181344664,0.24748132410389967,0.25085669248166675,0.17445257350421492
EOS-3-12101,Cc1ncc(-c2cc(Oc3cncc4nnc(-c5c(F)cccc5Cl)n34)[nH]n2)cn1,NKMYUDSKDPXJJM-UHFFFAOYSA-N,3,1,0.378,13,877,422.811,3.865,5,0.468,0.74,0.999,0.7189877321636625,0.7454252621478994,0.6197998766362827,0.6366681516003015,0.6802202556370365
EOS-3-12102,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)n1,PZSVJMWVHPZUGR-UHFFFAOYSA-N,3,1,0.482,51,19,433.863,3.092,5,0.402,0.71,1.0,0.4914073744088822,0.5170139126859022,0.1142485093550819,0.12672195188815022,0.3123479370845041
EOS-3-12103,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(F)cn6)nc5)n34)cc2)n1,XOFKBWTXKBUOAK-UHFFFAOYSA-N,3,1,0.333,98,727,451.429,2.64,6,0.398,0.67,1.0,0.16708073469947227,0.24720718250976628,0.21538105681584538,0.23928277705434858,0.2172379377698581
EOS-3-12104,c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6csnn6)cn5)n34)cc2)n[nH]1,WJVJWJTYUVOVJE-UHFFFAOYSA-N,3,1,0.418,56,197,455.467,2.464,6,0.397,0.71,1.0,0.42013912685902266,0.36678431910081555,0.10081557124254678,0.09182886710986224,0.24489197107806182
EOS-3-12105,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnnc(F)c5)c4)n23)cc1,QQTBTUXPKUEEFL-UHFFFAOYSA-N,3,1,0.344,62,3,450.437,3.308,5,0.408,0.69,1.0,0.2419642245219656,0.19268727297649235,0.685114111438558,0.6247258584058666,0.43612286683572066
EOS-3-12106,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nc5)n34)cn2)cn1,ZGQPHGAOUBPYGG-UHFFFAOYSA-N,3,1,0.3,86,790,432.451,3.106,6,0.418,0.67,1.0,0.05087896648619012,0.05117880885477349,0.32777911041052704,0.2864865327941882,0.1790808546364197
EOS-3-12107,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)cn1,LJWHHJDUSOLQJP-UHFFFAOYSA-N,3,1,0.3,86,790,432.451,3.106,6,0.418,0.67,1.0,0.05088753341100678,0.05118737577959016,0.3277876773353437,0.2864950997190049,0.1790894215612364
EOS-3-12108,CCn1cncc1-c1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC)cn4)n23)ccc1F,CROHLONMAZIXCJ-UHFFFAOYSA-N,3,1,0.349,33,647,457.473,2.554,5,0.417,0.64,0.99,0.1781749023370571,0.17994825577410734,0.13126242204098418,0.0845212802412446,0.1434767150983483
EOS-3-12109,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nn2)n1,GRMSVXOMRGGHIU-UHFFFAOYSA-N,3,1,0.324,86,790,433.439,2.594,6,0.412,0.68,0.985,0.0037437461448838324,0.014486669864985265,0.11425707627989856,0.11550784730313207,0.061998834898224935
EOS-3-12110,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(Cl)nc5)cc4C)n23)cn1,RQVASUHUEFUPGD-UHFFFAOYSA-N,3,1,0.359,62,204,455.909,4.771,5,0.392,0.86,1.0,0.06647076965252553,0.16314851620862175,0.6283753683777671,0.5236447124940031,0.34540984168322936
EOS-3-12111,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccncc5)cn4)n23)cc1,JZHHPAAYEPYKNG-UHFFFAOYSA-N,3,1,0.519,97,969,431.406,4.16,5,0.399,0.76,1.0,0.7669111095881023,0.7496915907066,0.8415375916660955,0.782854156671921,0.7852486121581798
EOS-3-12112,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4F)n23)nc1,AYROBUSUXVVSFP-UHFFFAOYSA-N,3,1,0.329,39,972,451.429,2.64,6,0.398,0.66,1.0,0.19800733328764306,0.2522359673771503,0.11128435336851483,0.19805016791172642,0.18989445548625866
EOS-3-12113,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnn5)n34)nn2)cc1F,MUIHJCQIXATVCU-UHFFFAOYSA-N,3,1,0.446,54,411,433.382,2.333,5,0.398,0.69,0.931,0.7549602494688507,0.6593705023644713,0.3614299910903982,0.43800116510177506,0.5534404770063738
EOS-3-12115,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncc(Br)cn5)n34)cc2)c1,FPPXQBZGZJWIQY-UHFFFAOYSA-N,3,1,0.435,96,856,447.271,4.817,5,0.397,0.83,1.0,0.33149715578096084,0.5036495099719005,0.7705349187855527,0.8459067233225961,0.6128970769652525
EOS-3-12116,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)cn2)nc1,WXIUIZZCRCEYAJ-UHFFFAOYSA-N,3,1,0.304,94,165,448.425,3.301,6,0.4,0.68,0.999,0.3339558632033445,0.4095247070111713,0.4127630045918717,0.4288259886231238,0.39626739085737783
EOS-3-12117,COc1cc(OCc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)ccn1,YJJODCILHKJMGF-UHFFFAOYSA-N,3,1,0.398,14,189,428.427,3.975,5,0.404,0.78,1.0,0.5633524090192584,0.5587948050167911,0.7012284970187102,0.5919059694332123,0.603820420121993
EOS-3-12118,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnccc5C)cn4)n23)cc1,MLPUIQXTZODXLM-UHFFFAOYSA-N,3,1,0.479,89,398,466.505,3.28,5,0.388,0.74,1.0,0.3188695086011925,0.14395003769446918,0.22959358508669728,0.11312624220409842,0.20138484339661433
EOS-3-12119,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)c4)n23)cn1,ARSPBZJGRDDWHY-UHFFFAOYSA-N,3,1,0.462,2,346,457.429,2.116,5,0.407,0.66,1.0,0.657725652799671,0.4277808237954904,0.20142553628949353,0.1267305188129669,0.3534156329244054
EOS-3-12120,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnnc4-c4cc(F)cc(F)c4)n23)nc1,JCZUEBXAEWEIQE-UHFFFAOYSA-N,3,1,0.311,96,523,444.405,2.948,5,0.454,0.6,1.0,0.20903296552669454,0.2165204578164622,0.529555890617504,0.5103488451785347,0.3663645397847989
EOS-3-12121,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)cc1,XUSDMLOABLJGNY-UHFFFAOYSA-N,3,1,0.622,90,636,409.837,2.216,4,0.52,0.84,1.0,0.6577342197244876,0.484939346172298,0.15550681927215407,0.12016825440339936,0.35458715989308476
EOS-3-12122,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)n2)cc1,NXPHJARJOWPGHG-UHFFFAOYSA-N,3,1,0.31,3,118,452.428,4.379,6,0.395,0.78,0.943,0.014375299842368584,0.1631570831334384,0.6987612226715099,0.792192104722089,0.4171214275923515
EOS-3-12123,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)c(F)c1,PCNNXOXOLJQARF-UHFFFAOYSA-N,3,1,0.288,30,298,452.428,4.379,6,0.395,0.78,0.12,0.02963299294085395,0.18404324583647455,0.6579740936193544,0.7584726886436844,0.40753075526009186
EOS-3-12125,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)nc1,HSLPBLHDJKUSRX-UHFFFAOYSA-N,3,1,0.31,38,193,421.424,3.304,6,0.426,0.75,1.0,0.1698392844904393,0.08440991021862793,0.2367983688575149,0.2304417106435474,0.18037231855253238
EOS-3-12126,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nn2)cn1,ADJRKLMXZAAVRG-UHFFFAOYSA-N,3,1,0.316,38,608,432.451,3.106,6,0.418,0.66,1.0,0.05415153176615722,0.04035021588650538,0.2690528407922692,0.24793537111918307,0.15287248989102872
EOS-3-12127,COc1cc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)n4)n23)ccc1Cl,KJBLUHKBFNXHAF-UHFFFAOYSA-N,3,1,0.5,36,728,449.862,2.618,5,0.385,0.75,1.0,0.44087108491535876,0.6548557329860873,0.17494517168117332,0.1818758138578576,0.36313695086011927
EOS-3-12128,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4)n23)ccn1,HARPDNVSLHMYTR-UHFFFAOYSA-N,3,1,0.456,67,415,452.442,1.741,6,0.396,0.68,1.0,0.48137550544856417,0.2829398259200877,0.09576965252552944,0.08452984716606127,0.23615370776506064
EOS-3-12129,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cn(C)nc5C)cn4)n23)nc1,RZVZSSNRSXMHHH-UHFFFAOYSA-N,3,1,0.385,33,53,456.47,1.624,5,0.404,0.68,0.998,0.19512884654924267,0.0844184771434446,0.05482831882667398,0.01387841820300185,0.08706351518059077
EOS-3-12130,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cn4)n23)c(Cl)c1,WAXKISRLDFKBTH-UHFFFAOYSA-N,3,1,0.511,26,563,456.897,3.733,5,0.383,0.77,1.0,0.7431121924473991,0.7584384209444178,0.6798283188266739,0.665153176615722,0.7116330272085533
EOS-3-12131,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5nccc(C)n5)c(F)c4)n23)n1,ULWYDYIVYMMBQD-UHFFFAOYSA-N,3,1,0.56,4,92,427.443,3.978,5,0.419,0.78,1.0,0.7639041189774518,0.7221403604961962,0.5016619834144336,0.4001781920361867,0.5969711637310671
EOS-3-12132,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5F)n4)n23)cn1,VIMMSZRESCPCDS-UHFFFAOYSA-N,3,1,0.295,10,871,439.418,2.369,6,0.411,0.66,0.35,0.043374340346789116,0.1840518127612912,0.10886848057021452,0.16030429716948805,0.12414973271194571
EOS-3-12133,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cccnc5)n34)nc2)n1,XIYLWNPSTSJSQY-UHFFFAOYSA-N,3,1,0.28,94,899,434.427,1.896,6,0.404,0.68,0.999,0.1022462476869303,0.07029161812075937,0.05289219381810705,0.06472311698992529,0.07253829415393051
EOS-3-12134,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc(C)n2)cn1,KOVPIEOLLWYAAP-UHFFFAOYSA-N,3,1,0.473,46,500,444.886,3.888,5,0.402,0.72,1.0,0.5744722774312933,0.4895997532725653,0.39515797409361936,0.3686947433349325,0.4569811870331026
EOS-3-12135,Cc1nn(C)c(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)nc1,VKCXOTZVJSZKCG-UHFFFAOYSA-N,3,1,0.346,82,974,440.511,3.493,5,0.456,0.69,0.999,0.1047220889589473,0.08760537317524501,0.33163422657802755,0.13095401274758411,0.16372892536495098
EOS-3-12136,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)c2)nn1,RFISIMVFGBVFMY-UHFFFAOYSA-N,3,1,0.31,98,63,451.429,2.64,6,0.398,0.68,1.0,0.08082893564526078,0.1631656500582551,0.25467754094990064,0.27470701117126994,0.19334478445617162
EOS-3-12137,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(C#N)cc5F)c4)n23)nn1,GBBLQKVKYHLXEN-UHFFFAOYSA-N,3,1,0.442,54,214,438.426,3.542,5,0.409,0.71,1.0,0.7340055513672812,0.654864299910904,0.7296021520115139,0.69984065519841,0.7045781646220273
EOS-3-12138,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(C#N)ccc5F)c4)n23)nn1,JAHUUDLBZIAHIN-UHFFFAOYSA-N,3,1,0.436,54,348,438.426,3.542,5,0.409,0.71,1.0,0.72516448495648,0.6300373517922007,0.7296107189363306,0.7026420396134604,0.6968636488246179
EOS-3-12139,Fc1cnc(-c2ccccn2)c(-c2nnc3cncc(-c4ccc(-c5ccnnc5)nn4)n23)c1,IVVPEHAXKWTHEF-UHFFFAOYSA-N,3,1,0.283,76,887,448.425,3.301,6,0.4,0.69,1.0,0.26061441984785144,0.31356658213967514,0.32779624426016035,0.3912857240764855,0.3233157425810431
EOS-3-12140,Cc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)n(C)n1,MRMLLLXELMLMJI-UHFFFAOYSA-N,3,1,0.414,33,53,441.455,1.968,5,0.422,0.65,0.998,0.24452573504214928,0.10981940922486465,0.12005688438078267,0.050236447124940034,0.13115961894318415
EOS-3-12141,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnn(COCCO)c4)n23)cc1F,PZEJAHDZFKGEIG-UHFFFAOYSA-N,3,1,0.348,63,306,451.462,1.576,5,0.371,0.83,1.0,0.17517647865122335,0.07030018504557604,0.11426564320471523,0.15210575011993696,0.12796201425536288
EOS-3-12142,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)s4)n23)cc1,DBJDMMNFAJWXJV-UHFFFAOYSA-N,3,1,0.506,89,731,447.545,4.52,5,0.414,0.82,1.0,0.5422606401206223,0.3523747515591803,0.435191213761908,0.29874580220683983,0.4071431019121376
EOS-3-12144,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)n5)cn4)n23)cc1,MQDRLLJHFYSKCD-UHFFFAOYSA-N,3,1,0.467,89,408,456.47,1.705,5,0.388,0.69,1.0,0.3640172023850319,0.1260965663765335,0.056584538414090876,0.017930573641285724,0.1411572202042355
EOS-3-12145,N#Cc1cccc(-c2nnc(-c3cncc4nnc(-c5cncnc5-c5ncccn5)n34)o2)c1,DCFWGWLWKUBNJQ-UHFFFAOYSA-N,3,1,0.29,94,342,445.406,2.627,6,0.393,0.7,0.995,0.16448495648002193,0.15157460078130355,0.137456308683435,0.18714447262010828,0.1601650846412172
EOS-3-12146,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cncc(Cl)n5)nn4)n23)cc1,OCIVCKBTVXINOK-UHFFFAOYSA-N,3,1,0.387,74,333,457.845,1.736,5,0.388,0.73,1.0,0.02964155986567062,0.09683195120279624,0.16828867109862244,0.1791001302172572,0.11846557809608663
EOS-3-12147,Cn1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5cccc(F)c5)n34)c2)n1,VEMCVNKJRACIID-UHFFFAOYSA-N,3,1,0.549,43,258,420.383,2.839,5,0.431,0.75,1.0,0.6943321225412926,0.6352032074566514,0.5663336988554588,0.6006442327462134,0.624128315399904
EOS-3-12148,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,ZTWOUHYACDFUAP-UHFFFAOYSA-N,3,1,0.477,73,210,433.834,4.015,5,0.413,0.75,1.0,0.8393701596874786,0.8611215817969982,0.6254711808649167,0.679879720375574,0.751460660681242
EOS-3-12149,Fc1cc(OCc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)ccc1Cl,BDTJCZDDBBEBBQ-UHFFFAOYSA-N,3,1,0.415,44,481,433.834,4.015,5,0.413,0.75,1.0,0.5138184497292851,0.577753409636077,0.7087159893084778,0.7507024878349667,0.6377475841272017
EOS-3-12150,Fc1nccnc1COc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cc4)c3)n12,YXPFLYYJCJVTKW-UHFFFAOYSA-N,3,1,0.512,97,183,433.834,4.015,5,0.413,0.75,1.0,0.8008189980124735,0.8350095949557946,0.6686227811664724,0.7269207045438969,0.7578430196696593
EOS-3-12151,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ncc[nH]5)cn4)n23)cc(F)c1-c1cnco1,KFJPVHKVKDYFQX-UHFFFAOYSA-N,3,1,0.338,42,287,442.389,4.177,6,0.436,0.71,0.965,0.3386762387773285,0.41433931875813856,0.7586525940648345,0.7557998081008841,0.5668669899252965
EOS-3-12152,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nn(C)n5C)cnn4)n23)cc1,XEAGJLOJCGLJMU-UHFFFAOYSA-N,3,1,0.456,36,926,444.459,1.259,5,0.414,0.7,1.0,0.3938472345966692,0.2570248783496676,0.03159481872387088,0.009158042629017888,0.17290624357480638
EOS-3-12153,Cn1ncc(-c2nnc3cncc(-c4nnc(-c5cccnc5)nn4)n23)c1-c1ccc(F)cc1,SGWZZJIRMUNNNN-UHFFFAOYSA-N,3,1,0.372,8,474,451.429,2.64,6,0.398,0.65,1.0,0.09483585772051265,0.20210232335001027,0.13127098896580083,0.23333733123158112,0.16538662531697623
EOS-3-12154,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccsc5)n4)n23)cc1,XJFSNCYLUJDDKJ-UHFFFAOYSA-N,3,1,0.489,89,398,468.542,4.386,6,0.381,0.86,1.0,0.3893838667671852,0.18406037968610786,0.23338016585566446,0.24794393804399972,0.2636920875882393
EOS-3-12155,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)nc1,ALYAJHWUMIRJEL-UHFFFAOYSA-N,3,1,0.358,66,505,409.4,2.859,4,0.526,0.86,0.995,0.18113905832362415,0.13283873620725103,0.46366767185251184,0.3427712288396957,0.2801041738057707
EOS-3-12156,O=C(O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(F)c(F)c5)cn4)n23)cc1,XWIYNNWXARJYMS-UHFFFAOYSA-N,3,1,0.545,57,417,445.385,4.622,5,0.421,0.82,1.0,0.6823983962716743,0.16714927009800562,0.9021143170447536,0.8342043040230279,0.6464665718593654
EOS-3-12157,N#Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)on2)nc1,SECXXSYNAQRLQD-UHFFFAOYSA-N,3,1,0.542,89,770,446.377,3.625,5,0.384,0.79,0.999,0.9129257761633884,0.7711431704475361,0.7497258584058666,0.702650606538277,0.7841113528887671
EOS-3-12158,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cc2)n1,LVGPDVZATGTTFM-UHFFFAOYSA-N,3,1,0.34,3,289,449.453,3.944,6,0.402,0.71,1.0,0.046269960934822836,0.1884466451922418,0.44601123980535945,0.46676889863614557,0.28687418614214244
EOS-3-12159,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4Cl)n23)nc1,RKIYUFQLORMDOW-UHFFFAOYSA-N,3,1,0.343,52,295,470.924,3.799,6,0.419,0.75,1.0,0.18976595161400864,0.24214412994311563,0.2188335275169625,0.31140771708587484,0.24053783153999042
EOS-3-12161,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)c(F)c1,JKTOXARTUJIZHV-UHFFFAOYSA-N,3,1,0.354,10,673,452.428,4.379,6,0.395,0.76,1.0,0.034576108560071275,0.24721574943458297,0.7372524158727983,0.7874631622232884,0.45162685902268523
EOS-3-12162,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnnc(-c5cccnn5)n4)n23)cc1,JDZCMYDWIIBZEN-UHFFFAOYSA-N,3,1,0.321,10,507,449.413,2.696,6,0.395,0.68,0.458,0.27630045918717017,0.3426941265163457,0.20505791241176066,0.30818655335480777,0.28305976286752105
EOS-3-12163,CCOC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)cc4Cl)n23)c(F)c1F,RKULSBHTQNZZAU-UHFFFAOYSA-N,3,1,0.356,23,646,446.816,4.63,4,0.418,0.78,1.0,0.5244414365019533,0.6300459187170173,0.9368360633267082,0.9350712768144747,0.7565986738400384
EOS-3-12165,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5Cl)n4)n23)cc1,SGCXITITLLQCAM-UHFFFAOYSA-N,3,1,0.321,3,289,454.885,3.488,6,0.401,0.71,1.0,0.046278527859639505,0.179956822698924,0.24042217805496538,0.3459923925707628,0.20316248029607292
EOS-3-12166,COCc1nn(C2CCOCC2)c(-c2cncc3nnc(-c4ccc(CO)cc4)n23)c1F,WNXBMHKSQAQKES-UHFFFAOYSA-N,3,1,0.33,63,792,438.463,2.784,5,0.494,0.66,0.964,0.07436090740867658,0.14759098074155302,0.03421629771777123,0.12232711945719964,0.09462382633130012
EOS-3-12167,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)nn1,XONLPHHAXQZYDC-UHFFFAOYSA-N,3,1,0.405,36,706,429.831,3.299,5,0.426,0.73,0.999,0.547426495785073,0.722148927421013,0.5663422657802755,0.5634552121170585,0.599843225275855
EOS-3-12168,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)nc2)ccn1,AACLROBBAOVFCM-UHFFFAOYSA-N,3,1,0.269,70,957,430.435,3.162,6,0.415,0.7,1.0,0.0902439860187787,0.0590004112123912,0.3577033787951477,0.37511993694743334,0.22051692824343772
EOS-3-12169,NC(=O)c1cnc(-c2nnc3cncc(OCc4cncc(-c5ccccc5)n4)n23)cn1,JRAYKBZWKPKYQE-UHFFFAOYSA-N,3,1,0.389,7,408,425.412,1.716,5,0.429,0.7,1.0,0.3871907340141183,0.10662394626824755,0.05483688575149064,0.050245014049756696,0.14972414502090328
EOS-3-12170,N#Cc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)c1,GPJFTAZFYIJIAF-UHFFFAOYSA-N,3,1,0.627,35,426,437.438,3.881,5,0.397,0.74,1.0,0.9667688986361456,0.9616544445205949,0.8430710712082791,0.8221677746556096,0.8984155472551573
EOS-3-12171,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cscn5)n4)n23)cc1,WXJPNWBTYUQKBS-UHFFFAOYSA-N,3,1,0.5,89,268,461.482,3.388,5,0.413,0.71,1.0,0.5576468370913576,0.4369902679734083,0.35771194571996434,0.2479525049688164,0.40007538893838673
EOS-3-12173,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)c1,PDRHRVOIONSOSB-UHFFFAOYSA-N,3,1,0.367,69,152,446.449,4.511,6,0.393,0.79,1.0,0.23659276266191487,0.36679288602563226,0.7544033993557673,0.7898876019464053,0.5369191624974299
EOS-3-12174,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)nn5)n34)cc2)n1,PRULBUZJUOWBDZ-UHFFFAOYSA-N,3,1,0.5,36,320,437.826,2.748,5,0.413,0.66,1.0,0.5889075457473785,0.630054485641834,0.3352751696251114,0.34923069015146324,0.4758669727914468
EOS-3-12176,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cc1,WNGXRLDNWTUPCW-UHFFFAOYSA-N,3,1,0.263,94,195,417.436,3.496,6,0.433,0.79,0.997,0.0009594955794667946,0.009260845726817901,0.43126756219587414,0.4541498183811939,0.22390943047083817
EOS-3-12177,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)no1,MSGWFHRYJYLHHW-UHFFFAOYSA-N,3,1,0.329,86,790,434.423,3.064,6,0.407,0.71,1.0,0.15098348296895348,0.14031766157220205,0.12834110067850044,0.1223356863820163,0.13549448290041807
EOS-3-12178,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cn(C)nn5)c4)n23)cc1,XUSSQPILTOXWRO-UHFFFAOYSA-N,3,1,0.341,74,333,411.429,2.008,5,0.481,0.85,1.0,0.09240285107257899,0.030858063189637446,0.20851895003769447,0.12876944691933384,0.11513732780481119
EOS-3-12179,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)cc4)n23)cn1,YCIXRTVIZWDDNO-UHFFFAOYSA-N,3,1,0.562,97,82,429.871,4.184,5,0.413,0.77,1.0,0.8089404427386745,0.7882256185319718,0.5887961757247618,0.5537317524501405,0.6849234973613871
EOS-3-12180,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1,RZTPRESGGAULFY-UHFFFAOYSA-N,3,1,0.314,3,498,436.414,3.235,6,0.447,0.64,1.0,0.15099204989377013,0.22701494071688028,0.395166541018436,0.5172623535055856,0.322608971283668
EOS-3-12181,Cn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(F)cc3CO)n12,ULPLTMSOPBMUTO-UHFFFAOYSA-N,3,1,0.382,22,316,419.395,3.024,5,0.481,0.73,0.999,0.2984887944623398,0.48494791309711466,0.559600095949558,0.6509577821945035,0.49849864642587893
EOS-3-12182,Fc1cnc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nc1,UMWWALIGEDXWOB-UHFFFAOYSA-N,3,1,0.477,73,665,451.824,4.154,5,0.396,0.72,1.0,0.864299910903982,0.8940271400178192,0.7969810156946062,0.8302206839832773,0.8463821876499212
EOS-3-12183,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCc4cnnc(Cl)c4)n23)n1,UIILBGGEVKVQIJ-UHFFFAOYSA-N,3,1,0.375,46,915,449.837,3.113,5,0.398,0.68,1.0,0.6972877116030429,0.5398619011719553,0.32780481118497706,0.37193304091563295,0.48422186621890206
EOS-3-12184,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)nc1,XUFGXRAWVRULMS-UHFFFAOYSA-N,3,1,0.253,99,652,436.443,1.839,6,0.406,0.66,1.0,0.08286786375162772,0.043836954286889177,0.0382684531560551,0.03863683092317182,0.05090252552943596
EOS-3-12185,Cc1ncc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)c(F)c5F)s4)n23)cn1,PCEKDBDQWRHLBS-UHFFFAOYSA-N,3,1,0.424,50,155,467.436,4.288,5,0.396,0.8,0.999,0.11519943800973202,0.20663422657802755,0.6824412308957577,0.6190716880268659,0.40583664587759577
EOS-3-12186,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,FHUVLCRQNWJDLX-UHFFFAOYSA-N,3,1,0.337,8,899,446.478,3.589,6,0.395,0.73,1.0,0.07061716126379275,0.06666780892330888,0.08154855732986087,0.1309625796724008,0.08744902679734082
EOS-3-12188,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(Cl)c(F)c5)n34)nc2)n1C,NCULPPQHYJHMMG-UHFFFAOYSA-N,3,1,0.333,50,844,421.827,3.145,5,0.412,0.76,0.993,0.19513741347405936,0.3619011719553149,0.25112226715098346,0.3427797957645124,0.2877351620862175
EOS-3-12189,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)[nH]n2)nn1,HYWOHTUPCAQOGI-UHFFFAOYSA-N,3,1,0.25,99,286,437.431,1.532,6,0.429,0.67,0.991,0.06127064628880817,0.07392399424302652,0.02104036734973614,0.018487423754369132,0.04368060790898499
EOS-3-12190,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)n1,MDMOLUGPXFMDJS-UHFFFAOYSA-N,3,1,0.684,43,11,447.861,4.323,5,0.396,0.79,1.0,0.8937615653485025,0.8667843191008155,0.7497344253306834,0.7584812555685011,0.8171903913371257
EOS-3-12191,Cc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(C)nn5)c4)n23)nn1,RRYVSFQWFFEYOK-UHFFFAOYSA-N,3,1,0.494,53,241,425.456,2.672,5,0.405,0.73,1.0,0.5013878418203002,0.3715646631485162,0.08155712425467754,0.05852923034747447,0.25325971489274207
EOS-3-12192,Cn1cc(-c2cccc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)c2)nn1,VKFJOMKVSSWDCZ-UHFFFAOYSA-N,3,1,0.31,3,581,450.441,3.245,6,0.402,0.69,1.0,0.03738605989993832,0.13641114385580153,0.30220683983277363,0.4129686107874717,0.2222431635939963
EOS-3-12193,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)nc2)nn1,HZLURQRNLOXYFL-UHFFFAOYSA-N,3,1,0.309,39,449,450.441,3.245,6,0.402,0.69,0.969,0.10963093687889795,0.17996538962374067,0.28410492769515455,0.3492392570762799,0.23073512781851827
EOS-3-12194,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccnc(-c4cccnn4)n3)n12,KFIQGJHWBIHSPH-UHFFFAOYSA-N,3,1,0.282,10,887,438.386,2.894,6,0.404,0.67,1.0,0.2930659310533891,0.30842642724967445,0.24748989102871632,0.29560174079912277,0.2861459975327257
EOS-3-12195,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(Cl)c4)n23)cn1,DEYNYFOCHBUICQ-UHFFFAOYSA-N,3,1,0.55,59,16,435.85,3.958,5,0.415,0.74,1.0,0.6643393187581386,0.6837691042423412,0.7497429922555,0.7507110547597834,0.7121406175039408
EOS-3-12196,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)nn1,UGIKIJHDWUPTIB-UHFFFAOYSA-N,3,1,0.311,98,424,446.478,3.414,6,0.405,0.68,1.0,0.07436947433349325,0.043845521211705846,0.22595264203961346,0.20098862312384347,0.136289065177164
EOS-3-12197,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1,SMAZKBAAIAGPQC-UHFFFAOYSA-N,3,1,0.347,30,594,429.447,3.767,6,0.417,0.74,0.994,0.14786512233568638,0.10663251319306422,0.4024055924885203,0.47574703584401346,0.2831625659653211
EOS-3-12198,N#Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(F)c5)cn4)n23)cc1,VHAJFTLBMVBSKU-UHFFFAOYSA-N,3,1,0.545,1,230,423.411,3.838,5,0.423,0.76,1.0,0.9050613391816873,0.9195394421218559,0.8134894798163251,0.8097028990473579,0.8619482900418066
EOS-3-12199,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C(F)F)nc4-c4ccncc4)n23)cc1,XEPUHBJKKUVNPR-UHFFFAOYSA-N,3,1,0.333,74,139,458.432,3.608,5,0.428,0.67,0.999,0.30087039956137346,0.18845521211705846,0.5194212185593859,0.3784781714755671,0.3468062504283463
EOS-3-12200,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,OUXQWYAMCNFJSF-UHFFFAOYSA-N,3,1,0.6,16,256,418.848,3.214,5,0.432,0.76,1.0,0.6427849359194023,0.7408076896717154,0.4981409773147831,0.5306952916181208,0.6031072236310054
EOS-3-12201,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)cc1,MTNVOZKDUMBJMV-UHFFFAOYSA-N,3,1,0.301,30,668,433.45,4.845,6,0.398,0.85,0.944,0.011205537660201494,0.15931053389075459,0.7728651223356864,0.8182012884654924,0.4403956205880337
EOS-3-12202,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,QYBWQKYZGXXSJS-UHFFFAOYSA-N,3,1,0.277,39,195,436.414,3.03,6,0.414,0.67,0.653,0.0027585497909670344,0.06284696045507504,0.22238880131587965,0.2987543691316565,0.14668717017339455
EOS-3-12203,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(CO)cn5)nc4)n23)cc1,OWWFQDXQUYHJBC-UHFFFAOYSA-N,3,1,0.449,62,139,453.462,2.893,5,0.402,0.72,1.0,0.6972962785278597,0.3475944075114797,0.4673942841477623,0.2806610239188541,0.44823649852648895
EOS-3-12204,Cc1cc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)ccc1Cl,GYFXVNPQIKSUAX-UHFFFAOYSA-N,3,1,0.564,68,900,420.782,4.141,4,0.493,0.73,1.0,0.9398087862380919,0.9590329655266946,0.9491553012130766,0.8866510177506682,0.9336620176821327
EOS-3-12205,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)cc1,SJXKWGZNRBWZLV-UHFFFAOYSA-N,3,1,0.325,98,213,423.4,2.094,6,0.414,0.72,1.0,0.17244362963470633,0.09984750873826331,0.07291309711465972,0.08615756288122815,0.10784044959221438
EOS-3-12206,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)cn2)n1,SEYUNMPFULBYCY-UHFFFAOYSA-N,3,1,0.315,70,790,433.435,3.669,6,0.41,0.73,1.0,0.2090415324515112,0.13641971078061818,0.2333887327804811,0.23622438489479816,0.20376859022685215
EOS-3-12207,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c(F)c1,DAETZVSAQSGTCV-UHFFFAOYSA-N,3,1,0.571,11,503,430.418,4.148,5,0.403,0.78,1.0,0.8089490096634911,0.7711517373723529,0.8447159207730793,0.8459152902474127,0.817682989514084
EOS-3-12209,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)cc3)n12,UFXQCHRYSPHNNB-UHFFFAOYSA-N,3,1,0.317,9,340,424.399,4.038,6,0.455,0.74,1.0,0.32644267013912687,0.37157323007333287,0.6686313480912891,0.6651617435405387,0.5079522479610719
EOS-3-12210,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccncc4)n23)c(F)c1,WISJIVHFGKSCFG-UHFFFAOYSA-N,3,1,0.321,98,314,451.429,2.64,6,0.398,0.69,1.0,0.1866904256048249,0.24722431635939962,0.2223973682406963,0.27471557809608665,0.2327569220752519
EOS-3-12211,c1ncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)cn1,UZTNEYZQMHGXTA-UHFFFAOYSA-N,3,1,0.306,42,761,419.408,3.36,6,0.423,0.78,1.0,0.18114762524844083,0.10664108011788088,0.35772051264478105,0.36234665204578165,0.2519639675142211
EOS-3-12212,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c(F)c1,HXOOGCBYAILZPC-UHFFFAOYSA-N,3,1,0.323,42,369,449.453,3.85,6,0.403,0.74,0.999,0.22845418408608045,0.25224453430196697,0.5464755671304229,0.5269772462476869,0.3885378829415393
EOS-3-12213,CCn1cncc1-c1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)ccc1F,UNYHYHDPKAXSQA-UHFFFAOYSA-N,3,1,0.404,14,357,456.485,3.159,5,0.421,0.66,0.999,0.192490233705709,0.23676410115824822,0.2726252484408197,0.18188438078267424,0.2209409910218628
EOS-3-12214,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nn2)n1,QHHIRSROKXYNRK-UHFFFAOYSA-N,3,1,0.325,98,507,452.417,2.035,6,0.39,0.68,0.284,0.17818346926187376,0.2777568364060037,0.07931258995271058,0.14458399013090262,0.16995922143787268
EOS-3-12215,CCn1cc(-c2ccc(Cl)nc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,COKYEHARYIMBAT-UHFFFAOYSA-N,3,1,0.356,74,333,458.913,3.75,5,0.402,0.75,1.0,0.17518504557604003,0.26754506202453565,0.2803697484750874,0.24492838050853266,0.24200705914604892
EOS-3-12216,Clc1ccc(-c2nnc3cncc(OCc4cnc(C5CCC5)nn4)n23)c(Cl)c1,WWOJYGKOTBZVIC-UHFFFAOYSA-N,3,1,0.536,78,404,428.283,4.13,5,0.472,0.75,1.0,0.5717479953395929,0.8278819135083271,0.04410252895620588,0.3235042149270098,0.4418091631827839
EOS-3-12217,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)nc2)n1,ZYYBNBNBKHJACU-UHFFFAOYSA-N,3,1,0.306,10,673,449.453,3.944,6,0.402,0.72,0.993,0.011214104585018161,0.09985607566307998,0.5226338153656364,0.5172709204304023,0.2877437290110342
EOS-3-12218,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncc(Cl)n5)n4)n23)cc1,WUEKMVFTOFEGGC-UHFFFAOYSA-N,3,1,0.36,52,423,468.908,3.856,6,0.417,0.72,1.0,0.1617778082379549,0.16715783702282228,0.20143410321431018,0.2987629360564732,0.20728317113289013
EOS-3-12219,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(Cl)c4)n23)n1,BEPQXPKMXWCEQX-UHFFFAOYSA-N,3,1,0.542,4,677,437.916,4.189,5,0.41,0.8,1.0,0.4454972243163594,0.5306781577684874,0.38039716263450074,0.37848673840038377,0.43376482077993284
EOS-3-12221,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnn(CCOCc5ccccc5)n4)n23)cc1,BMHMWNVPWDGKES-UHFFFAOYSA-N,3,1,0.384,62,740,454.494,2.289,5,0.339,0.77,1.0,0.047683503529573026,0.00789870468096772,0.08645740524981153,0.07750496881639367,0.05488614556918649
EOS-3-12222,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ncc4Cl)n23)cc1,KAJSDNNPZHROOY-UHFFFAOYSA-N,3,1,0.478,89,707,473.884,2.63,5,0.395,0.73,1.0,0.6884894798163251,0.5080700431773011,0.3728240010965664,0.2925433486395723,0.4654817181824413
EOS-3-12223,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncc(CF)n5)s4)n23)cc1,NCVDOWXRRGRJHK-UHFFFAOYSA-N,3,1,0.364,74,155,432.444,2.94,5,0.453,0.65,1.0,0.07062572818860942,0.09986464258789665,0.14955280652456995,0.1287780138441505,0.11220529778630663
EOS-3-12224,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nn2)n1,PWNGLYMMRFMURM-UHFFFAOYSA-N,3,1,0.364,38,620,431.463,3.804,6,0.418,0.73,1.0,0.0027671167157837023,0.028090946473853746,0.35407100267288055,0.3784953053252005,0.1908560927969296
EOS-3-12225,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)cn1,GBSUGWCVVQWEHD-UHFFFAOYSA-N,3,1,0.662,24,294,431.406,3.809,5,0.418,0.74,1.0,0.8643084778287986,0.7497001576314166,0.7799071345349873,0.7242735247755465,0.7795473236926873
EOS-3-12227,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nccs5)cn4)n23)c(C)c1,QWOGCJJLUVCCOL-UHFFFAOYSA-N,3,1,0.423,89,408,458.507,2.952,5,0.412,0.68,1.0,0.34582962099924613,0.22160921115756288,0.11733260228908231,0.050253580974573366,0.18375625385511615
EOS-3-12228,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)sn2)no1,FLGIYXVBFZFHGP-UHFFFAOYSA-N,3,1,0.541,89,398,473.518,3.682,6,0.38,0.84,0.956,0.3595367007059146,0.16317421698307175,0.05845212802412446,0.061527654033308204,0.16067267493660475
EOS-3-12229,Cc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)ccn1,XHPJYKWNAGYOBF-UHFFFAOYSA-N,3,1,0.292,8,42,446.478,3.414,6,0.405,0.69,1.0,0.09484442464532931,0.043854088136522515,0.24043074497978206,0.21600644232746213,0.148783925022274
EOS-3-12230,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4nnc(-c5ccco5)n4C)n23)c1,KJXDZHHCFDMGMQ-UHFFFAOYSA-N,3,1,0.284,8,474,434.463,4.217,6,0.41,0.77,0.979,0.08083750257007745,0.02569220752518676,0.14044616544445207,0.19805873483654307,0.11125865259406484
EOS-3-12231,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(C(F)(F)F)nc4)n23)nc1,SITSKPQVCZQNMR-UHFFFAOYSA-N,3,1,0.405,50,243,434.385,4.033,5,0.423,0.71,1.0,0.3212511137002262,0.47175484887944624,0.8171389897882256,0.6858080323487081,0.5739882461791515
EOS-3-12232,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)s2)n1,XZFSTEQREHMYCB-UHFFFAOYSA-N,3,1,0.291,76,968,438.48,3.167,6,0.412,0.71,1.0,0.06467171544102529,0.08761394010006168,0.09343088205057913,0.12017682132821603,0.09147333972997054
EOS-3-12233,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccsc4)n23)n1,VYPGQOVBCNPHLN-UHFFFAOYSA-N,3,1,0.278,86,953,438.48,3.167,6,0.412,0.71,0.747,0.05589918442875745,0.01591734630936879,0.04585874854362278,0.06980330340620931,0.04686964567198959
EOS-3-12234,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1,OUCGEBMJGCEDNT-UHFFFAOYSA-N,3,1,0.319,42,762,431.463,3.711,6,0.419,0.71,1.0,0.1179751216503324,0.055136728120074016,0.3242409704612432,0.2956103077239394,0.19824078198889727
EOS-3-12235,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)cn4)n23)cc1,CLRGCQLKSXCXNM-UHFFFAOYSA-N,3,1,0.373,9,594,431.463,3.711,6,0.419,0.71,1.0,0.10963950380371462,0.07030875197039271,0.3131211020492084,0.34600095949557946,0.20976757932972379
EOS-3-12236,COc1cncc(-c2nc(-c3cncc4nnc(-c5ccc(Cl)c(OC)c5)n34)n(C)n2)c1,KTFDNLWFWAZZFS-UHFFFAOYSA-N,3,1,0.337,50,67,448.874,3.319,5,0.403,0.72,1.0,0.21434445891302858,0.3668014529504489,0.287857240764855,0.25983482968953464,0.28220949557946684
EOS-3-12237,c1cc(-c2nn[nH]n2)cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,LHBULQLIHGBFAK-UHFFFAOYSA-N,3,1,0.312,9,598,418.424,3.095,6,0.463,0.74,1.0,0.12588239325611678,0.13642827770543486,0.3687718456582825,0.4063549448290042,0.2593593653622096
EOS-3-12238,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccoc5)cn4)n23)c(F)c1,UCCNCVXXPTYXKG-UHFFFAOYSA-N,3,1,0.452,51,943,471.452,3.452,6,0.383,0.8,1.0,0.5163628263998356,0.3234613803029265,0.2546861078747173,0.28650366664382154,0.34525349530532523
EOS-3-12239,CC(C)(N)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)cn4)n23)cn1,ZXUFEABLRVYCKB-UHFFFAOYSA-N,3,1,0.456,51,282,439.483,2.811,5,0.424,0.72,1.0,0.4642073881159619,0.262379206360085,0.23680693578233158,0.09579535329997944,0.26479722088958946
EOS-3-12240,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)s1,NPVVSQUATFTFDI-UHFFFAOYSA-N,3,1,0.608,72,226,436.888,3.641,5,0.411,0.73,1.0,0.8730981426906997,0.9098502501542046,0.19104242341169214,0.28066959084367077,0.5636651017750668
EOS-3-12241,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc5cc(Cl)C(CC4)NC5=O)n23)nc1,ABAZFUXUBSCQJM-UHFFFAOYSA-N,3,1,0.321,63,792,447.886,2.271,6,0.636,0.56,0.242,0.20341306284696045,0.19731341237749297,0.14045473236926873,0.10612706462888082,0.16182706805565072
EOS-3-12242,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nc4)nc3)n12,DJSDXQFZHQOGPW-UHFFFAOYSA-N,3,1,0.359,30,945,449.453,3.85,6,0.377,0.77,1.0,0.15363922966212049,0.26755362894935236,0.2913525460900555,0.3588427797957645,0.2678470461243232
EOS-3-12243,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)nn4)n23)cc1,NOYMEXSMNCATTM-UHFFFAOYSA-N,3,1,0.688,72,996,447.405,3.824,5,0.371,0.78,1.0,0.7311613323281475,0.7314526077719142,0.8072099239257077,0.7378435336851484,0.7519168494277294
EOS-3-12244,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)o1,RSFYLUKMRFUOGS-UHFFFAOYSA-N,3,1,0.3,76,368,433.435,3.669,6,0.41,0.69,0.999,0.11520800493454869,0.10324857789048043,0.18454869440065794,0.19281577684874238,0.14895526351860736
EOS-3-12245,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)nn2)n1,YWAIFUJTKUVYFA-UHFFFAOYSA-N,3,1,0.321,98,765,453.445,2.677,6,0.4,0.69,1.0,0.016988211911452264,0.20211089027482695,0.17148413405523952,0.19526591734630938,0.14646228839695702
EOS-3-12246,Cc1cc(COc2cncc3nnc(-c4cc(-c5cccc(Cl)c5)ccn4)n23)n(C)n1,JXSMKQGCQNRHQX-UHFFFAOYSA-N,3,1,0.444,4,503,431.887,4.128,5,0.416,0.8,1.0,0.2902731135631554,0.40953327393598793,0.4636762387773285,0.4970444109382496,0.4151317593036804
EOS-3-12247,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nncnn5)nc4)n23)cc1,XHZOHDKKRIMWAU-UHFFFAOYSA-N,3,1,0.54,89,512,466.465,1.904,6,0.377,0.71,0.994,0.40225995476663695,0.09987320951271332,0.05484545267630731,0.06300973202659174,0.15499708724556235
EOS-3-12248,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)[nH]2)c1,QVOZGDKLLVCLSB-UHFFFAOYSA-N,3,1,0.318,30,737,434.438,4.445,6,0.44,0.81,0.98,0.15364779658693714,0.2829483928449044,0.5763741347405935,0.6970307038585429,0.4275002570077445
EOS-3-12249,COc1cc(C(F)F)c(F)cc1-c1nnc2cncc(-c3ccc(-c4nncn4C)cn3)n12,ADEJDMVHWQXXSD-UHFFFAOYSA-N,3,1,0.333,50,985,452.4,3.734,5,0.401,0.74,1.0,0.33150572270577755,0.47640668905489686,0.8013672812007402,0.6998492221232266,0.5772822287711603
EOS-3-12250,Clc1cc(-c2ccccn2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,GMWFKZGDQOVMNO-UHFFFAOYSA-N,3,1,0.517,35,846,429.871,3.918,5,0.404,0.73,1.0,0.6456634226578027,0.7497087245562333,0.4946542389143993,0.5504334863957234,0.6101149681310397
EOS-3-12251,Cc1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)c4)n23)c(-c2ccccc2)n1,WEJOEVTZEDBJJZ-UHFFFAOYSA-N,3,1,0.316,30,220,431.463,4.009,6,0.449,0.7,1.0,0.14235658967856898,0.1515831677061202,0.34238571722294564,0.3912942910013022,0.25690494140223424
EOS-3-12253,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)nc2)c1,SURLGTBRXIGJBG-UHFFFAOYSA-N,3,1,0.269,86,151,437.402,2.425,6,0.409,0.65,0.999,0.005799808100884107,0.08762250702487835,0.3022154067575903,0.3554074429442807,0.18776129120690838
EOS-3-12254,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cn5)c4)n23)cc1,QOCNDMNPKQFDNY-UHFFFAOYSA-N,3,1,0.34,98,642,438.43,2.974,6,0.417,0.65,1.0,0.02396168871221986,0.18406894661092454,0.34624083339044615,0.3687033102597492,0.23074369474333495
EOS-3-12255,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnnc(F)c5)c4)n23)cc1,VRZZMRCTRNCDGD-UHFFFAOYSA-N,3,1,0.388,62,124,439.454,3.756,5,0.424,0.69,1.0,0.24453430196696593,0.20664279350284423,0.5362209581248715,0.4353111507093414,0.35567730107600576
EOS-3-12256,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnco5)c4)n23)cc1,KQJWWZPZJOUWRC-UHFFFAOYSA-N,3,1,0.307,9,598,435.451,3.787,6,0.402,0.73,1.0,0.12037386059899938,0.07735933109451032,0.19457199643615927,0.20995819340689467,0.15056584538414092
EOS-3-12257,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1F,NJQSPFBCYHKYBK-UHFFFAOYSA-N,3,1,0.705,48,378,409.396,3.051,4,0.529,0.89,1.0,0.7607943252690015,0.40031526283325336,0.744919813583716,0.6770098005619902,0.6457598005619902
EOS-3-12258,COc1ccc(-c2cncn2C)cc1-c1nnc2cncc(OCc3cc(F)cc(F)c3)n12,RXUHNYNVKSWDHQ-UHFFFAOYSA-N,3,1,0.512,59,16,448.433,4.058,5,0.39,0.8,1.0,0.6943406894661093,0.5588033719416079,0.8718045370433829,0.787471729148105,0.7281050818998013
EOS-3-12260,Fc1ccc(-c2cc(COc3cncc4nnc(-c5cccc(Cl)c5)n34)ncn2)cn1,AMYFAOYMLISCFO-UHFFFAOYSA-N,3,1,0.534,4,675,433.834,4.015,5,0.386,0.76,1.0,0.6339867041326845,0.7962356932355562,0.7521074635049003,0.7784079226920705,0.7401844458913028
EOS-3-12261,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccn1,MDWXLOZQDJNCNA-UHFFFAOYSA-N,3,1,0.536,97,401,433.834,4.015,5,0.386,0.76,1.0,0.8620639435268316,0.9489925296415599,0.737260982797615,0.7784164896168871,0.8316834863957233
EOS-3-12262,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ncccc4-c4cccc(F)c4)n23)c(F)c1,LLXNIJZECBNKIN-UHFFFAOYSA-N,3,1,0.318,10,219,468.431,3.384,6,0.387,0.74,0.974,0.14236515660338564,0.267562195874169,0.3170190528407923,0.46353060105544514,0.29761925159344804
EOS-3-12263,CCOc1ccc(F)cc1-c1nnc2cncc(Oc3ccc(-c4cnn(C)c4)nn3)n12,PGBFGZHUSHMRBK-UHFFFAOYSA-N,3,1,0.429,36,706,432.419,3.312,5,0.402,0.74,1.0,0.4385237475155918,0.4233260228908231,0.4276180522239737,0.3144575423206086,0.4009813412377493
EOS-3-12264,Cc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)ccn2)nn1,OSYIWJSRLMDGGR-UHFFFAOYSA-N,3,1,0.29,38,270,443.474,4.076,6,0.401,0.75,1.0,0.13179357137961759,0.1032571448152971,0.4165153176615722,0.40018675896100336,0.26293819820437253
EOS-3-12265,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1F,LUFFTLAZIRJMBG-UHFFFAOYSA-N,3,1,0.586,90,133,410.384,2.446,4,0.525,0.84,1.0,0.642793502844219,0.31878383935302584,0.6048934274552806,0.5103574121033514,0.5192070454389692
EOS-3-12266,Cc1ncc(-c2ccnc(-c3nnc4cncc(Cc5ccc(F)c(Cl)c5)n34)c2)cn1,SVHSOONAKGKPPU-UHFFFAOYSA-N,3,1,0.351,85,81,431.862,4.335,5,0.421,0.75,0.987,0.34815982454937977,0.357386402576931,0.7864522650949215,0.8032691385100404,0.5738169076828182
EOS-3-12267,Cc1noc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)ccn2)n1,VJHCVXKAXGUXAA-UHFFFAOYSA-N,3,1,0.311,30,321,432.447,4.274,6,0.406,0.79,1.0,0.20905009937632787,0.13284730313206772,0.2948906860393393,0.317490233705709,0.23856958056336097
EOS-3-12268,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(C#N)n5)c4)n23)nc1,UBSBVNCBUNOYMG-UHFFFAOYSA-N,3,1,0.386,33,348,463.461,2.454,5,0.401,0.69,0.998,0.5474350627098896,0.22161777808237956,0.34624940031526286,0.2186536220958125,0.3334889658008361
EOS-3-12269,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4F)nc3)n12,PDKTUDRTKLTHCL-UHFFFAOYSA-N,3,1,0.376,8,474,449.453,3.85,6,0.403,0.72,1.0,0.13706223014186827,0.27271091768898637,0.30936022205469127,0.4320385854293743,0.28779298882873006
EOS-3-12270,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccn4)n23)cc1,BFGUEUJKXKMQTJ-UHFFFAOYSA-N,3,1,0.296,98,369,432.451,3.106,6,0.418,0.7,0.999,0.085052429579878,0.011094167637584813,0.18455726132547462,0.23623295181961484,0.12923420259063806
EOS-3-12271,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(C(F)(F)F)cn4)n23)cc1,IONGVVOVPIUMQH-UHFFFAOYSA-N,3,1,0.337,62,139,475.434,4.294,5,0.416,0.83,1.0,0.33868480570214515,0.3427026934411624,0.9244654238914399,0.8241381673634433,0.6074977725995476
EOS-3-12272,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5F)n34)cn2)c1C,IKQNKTZIOYKADP-UHFFFAOYSA-N,3,1,0.33,62,648,456.456,4.514,5,0.429,0.75,1.0,0.21722294565142897,0.2675707627989857,0.8317712973750943,0.7584898224933178,0.5187637070797066
EOS-3-12273,Fc1cnc(-c2ccccc2)c(-c2nnc3cncc(-c4ncc(-c5cncnc5)cn4)n23)c1,PAFHXBAWHOMIFT-UHFFFAOYSA-N,3,1,0.321,94,106,447.437,3.906,6,0.4,0.73,0.991,0.27380748406551986,0.32346994722774314,0.44601980673017616,0.5141182920978685,0.3893538825303269
EOS-3-12274,CCn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C)cc5F)n34)cc2)n1,NLDXTTSHFFGBQU-UHFFFAOYSA-N,3,1,0.542,43,258,430.447,3.491,5,0.407,0.77,1.0,0.5603454184086081,0.5536717839764238,0.2767973408265369,0.2865122335686382,0.4193316941950518
EOS-3-12275,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ncccc5F)cc(F)n4)n23)cn1,OFWPAMQREZKMEF-UHFFFAOYSA-N,3,1,0.415,46,128,432.394,3.204,5,0.39,0.74,1.0,0.5216229182372696,0.4544410938249606,0.4533188266739771,0.43204715235419094,0.46535749777259955
EOS-3-12276,Cc1cc(-c2nnc3cncc(OCc4cc(F)cc(-c5cccc(F)c5)n4)n23)ccn1,SYWYSZQXSGYOJU-UHFFFAOYSA-N,3,1,0.558,4,92,430.418,4.414,5,0.411,0.8,1.0,0.6611438558015215,0.6115499280378316,0.8153827702008087,0.7989342745528065,0.7217527071482421
EOS-3-12277,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)cn2)cc1,YIDZFSBWYGVATD-UHFFFAOYSA-N,3,1,0.333,3,673,452.428,4.379,6,0.395,0.77,0.994,0.032074566513604276,0.17997395654855733,0.784353368514838,0.840312521417312,0.4591786032485779
EOS-3-12278,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)cn1,DPSVALAYSAXYHS-UHFFFAOYSA-N,3,1,0.38,93,774,448.465,4.455,6,0.396,0.81,1.0,0.19249880063052566,0.33766534164896167,0.6226954972243164,0.6738914399287231,0.45668776985813175
EOS-3-12279,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)ccn2)nc1,VGGHTNUPVNQASW-UHFFFAOYSA-N,3,1,0.519,24,980,435.369,3.64,5,0.416,0.71,1.0,0.8937701322733191,0.8085292303474745,0.8430796381330957,0.8342128709478446,0.8448979679254335
EOS-3-12280,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(F)c4)n23)s1,VOZZEIQDXMGSPT-UHFFFAOYSA-N,3,1,0.317,63,999,413.865,4.205,5,0.544,0.79,1.0,0.23660132958673155,0.2936227811664725,0.3540795695976972,0.597740045233363,0.37051093139606606
EOS-3-12281,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnc(F)cn5)c4)n23)nc1,LVIHTUUVYXJZPC-UHFFFAOYSA-N,3,1,0.28,33,432,416.38,1.328,5,0.465,0.72,0.937,0.00844698786923446,0.0937307244191625,0.13127955589061752,0.09183743403467891,0.08132367555342335
EOS-3-12282,Cc1nc2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2c(=O)n1C,HVDRZIWTUQGMSO-UHFFFAOYSA-N,3,1,0.61,43,521,432.871,3.579,5,0.431,0.74,1.0,0.8937786991981358,0.8048968542252073,0.467402851072579,0.5341820300185045,0.6750651086286067
EOS-3-12283,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)n(C)n1,OTQJWLYAJZVZEJ-UHFFFAOYSA-N,3,1,0.541,14,740,447.449,4.087,5,0.39,0.77,1.0,0.44550579124117606,0.5036580768967172,0.7425296415598657,0.6537763004591872,0.5863674525392366
EOS-3-12284,Cn1cc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)nn2)cn1,WGKFPFOQXHPWCN-UHFFFAOYSA-N,3,1,0.287,99,356,440.406,1.764,6,0.402,0.65,1.0,0.001430676444383524,0.051195942704406826,0.10082413816736345,0.1706702761976561,0.08103025837845247
EOS-3-12285,N#Cc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cc1,XXIJKSKFXMVRJE-UHFFFAOYSA-N,3,1,0.512,1,418,439.866,4.352,5,0.401,0.77,1.0,0.6973048454526763,0.8579346857651977,0.8115619217325749,0.8382136248372284,0.8012537694469193
EOS-3-12286,Cc1nnc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,WIMOPYQPIRFQDN-UHFFFAOYSA-N,3,1,0.371,67,642,446.478,3.414,6,0.405,0.7,1.0,0.1288636830923172,0.07031731889520938,0.09343944897539579,0.12234425330683298,0.10374117606743884
EOS-3-12287,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4Cl)n23)cc1,SVWSAAKUWTWZEE-UHFFFAOYSA-N,3,1,0.342,25,508,469.9,3.098,6,0.386,0.73,1.0,0.16708930162428895,0.3187924062778425,0.21215132615996163,0.3051966965937907,0.25080743266397093
EOS-3-12288,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)cc1,WIPYFFYSJMOVMB-UHFFFAOYSA-N,3,1,0.348,98,42,422.412,2.699,6,0.421,0.72,1.0,0.1590106915221712,0.07032588582002604,0.1495613734493866,0.1470855321773696,0.13149587074223837
EOS-3-12289,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)cc1F,LNPOKXYCSCIINC-UHFFFAOYSA-N,3,1,0.736,59,293,434.381,4.245,5,0.412,0.76,1.0,0.9849993146460146,0.9701785347131794,0.930496538962374,0.9225207319580563,0.9520487800699061
EOS-3-12290,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,CXITXAIRYXMXOZ-UHFFFAOYSA-N,3,1,0.325,9,7,441.842,3.947,6,0.436,0.68,1.0,0.24197279144678227,0.3904804331437187,0.5429202933315057,0.5919145363580289,0.4418220135700089
EOS-3-12291,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)nc1,BVVTUMLFZHZQMC-UHFFFAOYSA-N,3,1,0.3,94,165,448.425,3.301,6,0.4,0.71,0.97,0.2763090261119868,0.3904890000685354,0.42762661914879035,0.4667774655609622,0.3903005277225687
EOS-3-12292,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)cn5)n34)cn2)cn1,SIVCDKGONQEBRE-UHFFFAOYSA-N,3,1,0.286,70,968,435.455,2.444,6,0.414,0.66,0.991,0.054160098690973886,0.06285552737989171,0.18111335754917415,0.14210814885888562,0.11005928311973134
EOS-3-12293,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cn4)n23)nc1,RSIOSGDADHXRAQ-UHFFFAOYSA-N,3,1,0.267,86,652,435.455,2.444,6,0.414,0.66,0.998,0.07639983551504352,0.025700774450003426,0.08646597217462819,0.07370982112260983,0.06556910081557124
EOS-3-12294,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5nncn5C)c4)n23)cc1,CSGVZGIWPMFRJU-UHFFFAOYSA-N,3,1,0.324,8,765,435.455,2.444,6,0.414,0.65,1.0,0.08287643067644439,0.04035878281132205,0.13746487560825166,0.14211671578370227,0.1007042012199301
EOS-3-12295,Cn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)nn1,WEJDBIGOZTYZKP-UHFFFAOYSA-N,3,1,0.329,8,42,435.455,2.444,6,0.414,0.65,1.0,0.09720032896991296,0.04755499965732301,0.1035227194846138,0.10408813652251388,0.08809154615859091
EOS-3-12296,Cc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)no1,WMRCUIAUZFBHEG-UHFFFAOYSA-N,3,1,0.524,73,212,438.81,3.311,5,0.407,0.75,1.0,0.6914108011788088,0.8164450688780756,0.3242495373860599,0.3940699746419025,0.5565438455212117
EOS-3-12297,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5nn(C)cc5Cl)n34)cc2F)c1,HYBFLBMMBFUWKL-UHFFFAOYSA-N,3,1,0.483,36,610,438.854,3.297,5,0.418,0.72,1.0,0.43369200191899115,0.5353128640943047,0.5194297854842026,0.5236532794188198,0.5030219827290796
EOS-3-12299,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)cn1,XQEWZOMZEKFZBL-UHFFFAOYSA-N,3,1,0.257,10,871,420.44,2.834,6,0.432,0.73,0.939,0.0037523130697005003,0.007247618394900966,0.1714927009800562,0.18457439517510793,0.0917667569049414
EOS-3-12300,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)cc1C#N,NELQXFDXFJESCQ-UHFFFAOYSA-N,3,1,0.283,99,312,447.426,1.496,6,0.388,0.67,1.0,0.016045850181618807,0.06286409430470838,0.15551538619697072,0.1761702419299568,0.10264889315331369
EOS-3-12301,OCc1cc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cc4F)n23)ccc1Cl,AJCLJXLHAWYIPP-UHFFFAOYSA-N,3,1,0.537,90,255,453.783,4.069,4,0.458,0.69,1.0,0.9566170927283942,0.9680368035090124,0.9944571996436159,0.987106778150915,0.9765544685079844
EOS-3-12302,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)cn1,JPNZCQSMFASUIV-UHFFFAOYSA-N,3,1,0.314,10,37,438.43,2.974,6,0.417,0.68,0.828,0.018761565348502502,0.14395860461928586,0.2986686998834898,0.3460095264203961,0.20184959906791858
EOS-3-12303,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccnn5-c5ccccn5)nc4)n23)cn1,DCZYTAYHKFNYCP-UHFFFAOYSA-N,3,1,0.266,70,151,434.467,3.317,6,0.41,0.69,1.0,0.014383866767185251,0.043862655061339184,0.14632307586868618,0.13992358303063532,0.08612329518196149
EOS-3-12304,OCc1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5cccc(F)c5)n4)n23)cc1,OMMKQHXQCIZXBR-UHFFFAOYSA-N,3,1,0.37,96,316,416.391,3.686,5,0.481,0.77,1.0,0.39156843259543556,0.5632153382221917,0.8013758481255568,0.8302292509080941,0.6465972174628195
EOS-3-12305,Cc1ccc(-c2nnc3cncc(OCc4cn(C)nc4-c4ccc(Cl)c(F)c4)n23)nc1,LDHMXCVIRRLLCT-UHFFFAOYSA-N,3,1,0.456,46,348,449.877,4.267,5,0.398,0.83,1.0,0.44781029401685973,0.5123963402097184,0.6660355698718388,0.6651703104653554,0.5728531286409431
EOS-3-12306,OCc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)nc1,DONGPSMKKMVLFD-UHFFFAOYSA-N,3,1,0.433,2,422,446.858,2.763,5,0.419,0.72,1.0,0.47136077033787954,0.5036666438215338,0.46741141799739566,0.4414707696525255,0.4709774004523336
EOS-3-12307,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccn4)n23)cn1,NDYMWCQYAQPOTP-UHFFFAOYSA-N,3,1,0.5,4,744,442.414,2.46,5,0.396,0.7,1.0,0.4765608937015969,0.34271126036597904,0.3913628263998355,0.31141628401069155,0.38051281611952575
EOS-3-12308,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(C)nnc5C)cc4OC)n23)cn1,BHYQWVXXKVTETE-UHFFFAOYSA-N,3,1,0.304,82,204,466.505,3.295,5,0.419,0.72,0.997,0.3481683914741964,0.13285587005688437,0.2333972997052978,0.10194640531834692,0.20409199163868136
EOS-3-12309,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)nc1,QBHSNWORACRIJC-UHFFFAOYSA-N,3,1,0.558,18,166,431.406,3.543,5,0.406,0.71,1.0,0.7950620245356727,0.6300630525666506,0.6107617709546981,0.6247344253306834,0.6651553183469261
EOS-3-12310,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1-c1cncnn1,VYXRDTDSVQFUEI-UHFFFAOYSA-N,3,1,0.479,27,51,450.384,3.694,5,0.386,0.75,1.0,0.82450654513056,0.8164536358028922,0.8186981701048591,0.7852100609965047,0.8112171030087041
EOS-3-12311,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)cc1F,SASMCXRQBFGFNV-UHFFFAOYSA-N,3,1,0.295,10,118,453.416,3.774,6,0.401,0.7,0.429,0.05946302515249126,0.21652902474127886,0.5531406346377904,0.6509663491193202,0.3700247584127202
EOS-3-12312,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cn2)nc1,MCQGACYRTISMGS-UHFFFAOYSA-N,3,1,0.345,32,191,428.459,4.372,6,0.411,0.79,1.0,0.11219244739908163,0.14396717154410252,0.522642382290453,0.5236618463436364,0.3256159618943184
EOS-3-12313,Fc1ncccc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,DPHKWXXJSJTUPG-UHFFFAOYSA-N,3,1,0.57,97,210,433.834,4.015,5,0.386,0.8,1.0,0.9505859776574601,0.9680453704338291,0.7087245562332944,0.7533153999040504,0.8451678260571586
EOS-3-12314,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cn2)c1,JISBUCLIVBUJGI-UHFFFAOYSA-N,3,1,0.362,32,20,436.41,4.104,6,0.406,0.74,1.0,0.23930847782879858,0.3619097388801316,0.5792440545541773,0.6190802549516825,0.4498856315536975
EOS-3-12315,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)ncc1F,ZULQCNRHIPYCSK-UHFFFAOYSA-N,3,1,0.538,65,981,428.431,3.107,5,0.406,0.73,1.0,0.8709821122609828,0.8383763964087451,0.27263381536563636,0.2362415187444315,0.554558460694949
EOS-3-12316,Fc1ccc(Cl)c(-c2nnc3cncc(-c4ncnc(-c5cc(Cl)ccn5)n4)n23)c1,UQSTUZUQNCBCHW-UHFFFAOYSA-N,3,1,0.329,22,575,439.241,4.151,5,0.417,0.71,0.905,0.32125968062504284,0.4764152559797135,0.6311424850935509,0.8142690699746419,0.5607716229182373
EOS-3-12317,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(C#N)c6)nn5)n34)cc2)n1,JAMOYEBYMQWNMS-UHFFFAOYSA-N,3,1,0.33,98,39,445.45,2.706,6,0.405,0.69,1.0,0.02615482146528682,0.08763107394969502,0.32059146048934273,0.33320197381947775,0.19189483243095057
EOS-3-12318,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nn1C,XCHBCAOXYODCKT-UHFFFAOYSA-N,3,1,0.329,98,42,424.428,2.642,6,0.424,0.72,1.0,0.08084606949489412,0.06287266122952505,0.09344801590021246,0.08616612980604482,0.08083321910766911
EOS-3-12319,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5F)c4)n23)cc1,OVRXBQDWRTVRDE-UHFFFAOYSA-N,3,1,0.366,62,246,413.416,3.143,5,0.489,0.8,1.0,0.034584675484887945,0.17569049414022342,0.5763827016654102,0.5071533822219176,0.3234528133781098
EOS-3-12320,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cscn5)nc4)n23)cc1,UPKNSNBHOXPCMP-UHFFFAOYSA-N,3,1,0.42,14,319,413.466,3.0,5,0.474,0.81,1.0,0.13707079706668493,0.08091460489342746,0.2841134946199712,0.20996676033171133,0.17801641422794875
EOS-3-12322,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccc(CN(C)CCO)nc5)cc4)n23)cn1,HRLFBEMGKLPQIT-UHFFFAOYSA-N,3,1,0.282,61,336,454.538,3.161,5,0.385,0.74,1.0,0.034593242409704614,0.01110273456240148,0.22960215201151396,0.17353162908642314,0.1122074395175108
EOS-3-12323,Fc1ccc(F)c(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)c1,LOFQRAXNHPCHLP-UHFFFAOYSA-N,3,1,0.495,2,884,431.406,3.543,5,0.406,0.74,1.0,0.7034987320951271,0.7130080186416284,0.7192961414570626,0.7378521006099651,0.7184137482009457
EOS-3-12324,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1F,RVMDSRNPTIIINI-UHFFFAOYSA-N,3,1,0.342,9,340,439.414,3.443,6,0.411,0.68,1.0,0.27926461517373724,0.3376739085737784,0.4351997806867247,0.4445891302857926,0.3741818586800082
EOS-3-12325,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cn6)nc5)n34)c(F)c2)n1,KMGGKORRCCZFDJ-UHFFFAOYSA-N,3,1,0.306,98,219,469.419,2.779,6,0.383,0.72,1.0,0.247498457953533,0.3234785141525598,0.29136111301487216,0.35885134672058117,0.30529735796038654
EOS-3-12326,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)n(C)n1,ULIMOSYIOPKNIQ-UHFFFAOYSA-N,3,1,0.291,25,373,449.482,2.753,6,0.403,0.68,1.0,0.10225481461174697,0.08092317181824413,0.0957782194503461,0.09184600095949558,0.0927005517099582
EOS-3-12328,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)nc2)c1,ZSEHOTRPBOPXPL-UHFFFAOYSA-N,3,1,0.346,64,449,446.449,4.511,6,0.393,0.8,1.0,0.27631759303680353,0.33768247549859504,0.5663508327050922,0.6564920156260708,0.4592107292166404
EOS-3-12329,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)nn1,UXZIKUFMYOUXLR-UHFFFAOYSA-N,3,1,0.506,36,404,437.826,2.748,5,0.413,0.69,1.0,0.4526934411623604,0.6987183880474265,0.43904632992940856,0.5003084092934,0.5226916421081489
EOS-3-12330,Cc1nn(C)cc1-c1cncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)n1,NYJVNMAETIUQJD-UHFFFAOYSA-N,3,1,0.326,82,974,452.482,2.244,6,0.43,0.64,0.981,0.07253615242272633,0.030866630114454115,0.01841032143101912,0.019686793228702624,0.03537497429922555
EOS-3-12331,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)nc1,GJDBOFBSNSOLNW-UHFFFAOYSA-N,3,1,0.322,98,373,467.884,3.154,6,0.384,0.75,1.0,0.22846275101089714,0.26757932972380233,0.20144267013912687,0.2896134603522719,0.24677455280652455
EOS-3-12332,COc1ccc(-c2nnc3cncc(-c4cc(-c5cc(Cl)ccc5OC)cnn4)n23)cn1,GYAOQHGBHPOBDF-UHFFFAOYSA-N,3,1,0.341,96,985,445.87,3.981,5,0.4,0.74,0.998,0.3686861764101158,0.4717634158042629,0.6466571859365362,0.5634637790418752,0.5126426392981975
EOS-3-12333,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)nn1,FAKYNPVHHSCWFJ-UHFFFAOYSA-N,3,1,0.505,37,589,446.421,3.246,5,0.392,0.69,1.0,0.7608028921938181,0.6888235898841751,0.49814954423959973,0.5003169762182167,0.6120232506339525
EOS-3-12334,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)nc2)s1,WYNCZRYGIFSXIO-UHFFFAOYSA-N,3,1,0.255,25,213,451.519,4.081,6,0.398,0.75,1.0,0.038988074840655196,0.09988177643752999,0.20852751696251115,0.23334589815639778,0.14518581659927354
EOS-3-12335,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)nc1,MPBQYKUDLVDLMM-UHFFFAOYSA-N,3,1,0.325,98,866,454.433,1.978,6,0.392,0.66,1.0,0.25273284901651705,0.32809608662874373,0.0983054622712631,0.12878658076896718,0.20198024467137277
EOS-3-12336,COc1nccnc1-c1cc(Cc2cncc3nnc(-c4cnc(C#N)nc4)n23)c(F)cn1,ZOADHEZJBKCZBX-UHFFFAOYSA-N,3,1,0.295,51,976,440.402,2.043,5,0.399,0.7,0.992,0.4937461448838325,0.4943115619217326,0.21538962374066206,0.1735401960112398,0.34424688163936673
EOS-3-12337,Cc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1nccn1C,OCCONGSQQIKELA-UHFFFAOYSA-N,3,1,0.43,46,910,433.422,3.752,5,0.42,0.72,0.999,0.6611524227263381,0.5170224796107189,0.6311510520183675,0.5826708244808444,0.5979991947090672
EOS-3-12338,COc1nc(-c2cnc(C)o2)ccc1-c1nnc2cncc(-c3ccc(C(=O)NC4CC4)cn3)n12,JLGLWRHNVAETOP-UHFFFAOYSA-N,3,1,0.305,52,776,468.477,3.113,6,0.399,0.76,0.994,0.23365430744979782,0.11907168802686588,0.04411109588102255,0.03205743266397094,0.10722363100541431
EOS-3-12339,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)c1,KSVAAQFEXGEBIZ-UHFFFAOYSA-N,3,1,0.457,11,503,430.418,4.148,5,0.377,0.82,1.0,0.6643478856829552,0.6691282297306559,0.7398139263929819,0.7734305393735864,0.7116801452950449
EOS-3-12341,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccccc5Cl)n34)ccn2)nn1,PYAMIFUXTLKWSJ-UHFFFAOYSA-N,3,1,0.511,24,268,429.871,4.184,5,0.413,0.78,1.0,0.603231444040847,0.6788945240216572,0.5825080529093277,0.6069066547871976,0.6178851689397574
EOS-3-12342,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccn(C)n6)nc5)n34)cn2)n1,YDGOFNBGLYWFDD-UHFFFAOYSA-N,3,1,0.3,70,151,434.467,3.143,6,0.42,0.67,0.996,0.00277568364060037,0.043871221986155846,0.20506647933657735,0.16541018436022206,0.10428089233088891
EOS-3-12343,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncc(C)nn5)c4)n23)cc1,LWAGPPVBWFHATG-UHFFFAOYSA-N,3,1,0.517,89,571,454.454,1.68,5,0.402,0.67,1.0,0.46656329244054556,0.1711500239873895,0.07063429511342609,0.03009560688095401,0.1846108046055788
EOS-3-12344,Cc1nc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4Cl)n23)cc(-c2cccnc2)n1,FZUFLJXUEJKVPI-UHFFFAOYSA-N,3,1,0.394,14,357,456.897,3.295,5,0.43,0.64,1.0,0.18391474196422453,0.20665136042766089,0.32060002741415944,0.3114248509355082,0.25564774518538824
EOS-3-12345,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4F)n23)cc1,XVIYMQUAFLMRCW-UHFFFAOYSA-N,3,1,0.35,3,192,443.377,3.572,6,0.439,0.68,1.0,0.37561681858680007,0.4633592625591118,0.585617846617778,0.6739000068535399,0.5246234836543076
EOS-3-12346,Cc1conc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nncn5C)n4)n23)cc1,KNIWYTLHDPDLOX-UHFFFAOYSA-N,3,1,0.295,38,193,435.451,3.612,6,0.413,0.7,1.0,0.10964807072853129,0.07736789801932699,0.165050373517922,0.16541875128503872,0.12937127338770474
EOS-3-12347,Cn1nc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)cc1-c1cccnc1,XEXKKLMKMHKDJN-UHFFFAOYSA-N,3,1,0.461,95,998,435.85,3.958,5,0.415,0.75,1.0,0.4478188609416764,0.4586645877595778,0.7114231375505449,0.7558083750257008,0.593428740319375
EOS-3-12348,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)nc1,PLDAOQIXAQIOPB-UHFFFAOYSA-N,3,1,0.478,18,720,430.859,3.313,5,0.404,0.67,1.0,0.5858748543622782,0.6066667808923308,0.3577290795695977,0.39407854156671923,0.4860873140977315
EOS-3-12349,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cc5F)n34)cn2)ccn1,XYIZFNZUCXDBRH-UHFFFAOYSA-N,3,1,0.303,42,693,454.404,3.374,6,0.402,0.71,1.0,0.31398636145569186,0.3857514906449181,0.6660441367966554,0.694400657939826,0.5150456617092728
EOS-3-12350,Cn1nnc(-c2cc(Cl)c(COc3cncc4nnc(-c5ccc(CO)cc5)n34)cn2)n1,AREMGDDBXZSQOH-UHFFFAOYSA-N,3,1,0.557,36,258,449.862,2.102,5,0.414,0.72,1.0,0.6732146528682065,0.512404907134535,0.27680590775135355,0.30177849359194026,0.44105099033650885
EOS-3-12351,Cc1ccc(-c2nnc3cncc(-c4ncccc4OCc4ccc(F)c(F)c4)n23)cn1,ZWPTZNNWHODFJL-UHFFFAOYSA-N,3,1,0.443,96,586,430.418,4.414,5,0.411,0.81,1.0,0.6704218353779727,0.7542063600849839,0.8558614899595641,0.8182098553903091,0.7746748852032075
EOS-3-12352,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ccccc5)n4)n23)cc1,DGPGGKVNTRDEEK-UHFFFAOYSA-N,3,1,0.632,79,347,454.465,3.713,5,0.402,0.72,1.0,0.7921492700980056,0.2472328832842163,0.5194383524090193,0.4604036734973614,0.5048060448221506
EOS-3-12353,Cc1cncc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)n1,HFCBBNQUNLHVAM-UHFFFAOYSA-N,3,1,0.274,94,195,432.451,3.199,6,0.417,0.67,0.739,0.005808375025700774,0.0041720923857172226,0.18456582825029128,0.2131450894386951,0.10192284627510109
EOS-3-12354,NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnc(F)n5)c4)n23)cc1F,OEJFSLBWCUTMCZ-UHFFFAOYSA-N,3,1,0.346,50,413,419.355,1.811,5,0.44,0.72,0.999,0.018770132273319168,0.11286923445959839,0.40606366938523747,0.37512850387225,0.22820788499760125
EOS-3-12355,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nc2)[nH]1,VWQSWSYNAGCQDO-UHFFFAOYSA-N,3,1,0.4,46,564,437.826,3.046,5,0.445,0.65,0.98,0.6487389486669864,0.5678157768487424,0.45332739359879376,0.4667860324857789,0.5341670379000754
EOS-3-12356,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ocnc4-c4ccc(F)cc4)n23)n1,OHWNTJKBJLBYAR-UHFFFAOYSA-N,3,1,0.341,76,750,439.414,3.443,6,0.411,0.72,0.996,0.2284713179357138,0.2984887944623398,0.2085360838873278,0.29255191556438903,0.2570120279624426
EOS-3-12357,N#Cc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)ncc2F)nc1,KXDWWUXAJUAHRJ-UHFFFAOYSA-N,3,1,0.345,50,261,429.806,3.369,5,0.4,0.73,0.752,0.38939243369200194,0.5777619765608937,0.5663593996299089,0.6739085737783566,0.5518555959152902
EOS-3-12358,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cncnc4)n23)nc1,NNWATXAGAGBBEH-UHFFFAOYSA-N,3,1,0.263,86,953,434.427,1.896,6,0.404,0.66,0.974,0.07437804125830992,0.028099513398670412,0.045867315468439446,0.0527722568706737,0.050279281749023366
EOS-3-12359,CNCCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(C5CC5)nc4C(F)F)n23)nc1,VZOIIWGPDDDATF-UHFFFAOYSA-N,3,1,0.27,63,108,453.457,2.272,5,0.393,0.72,1.0,0.09241141799739566,0.040367349736138716,0.03963059420190528,0.042337742443972315,0.05368677609485299
EOS-3-12361,Cc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cccnn6)nc5)n34)cn2)n1,YHEMDFYXPUAXRB-UHFFFAOYSA-N,3,1,0.27,86,780,433.439,2.594,6,0.412,0.67,0.951,0.0016619834144335549,0.007256185319717634,0.1008327050921801,0.09770577753409636,0.05186416284010691
EOS-3-12362,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1,QOQVEWKNKXBTJQ-UHFFFAOYSA-N,3,1,0.28,30,498,429.447,3.767,6,0.417,0.73,1.0,0.05590775135357412,0.043879788910972516,0.35773764649441436,0.46041224042217804,0.22948435679528478
EOS-3-12363,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)cn4)n23)cc1,KVOPDYMLBYUZAU-UHFFFAOYSA-N,3,1,0.506,27,676,431.406,4.16,5,0.399,0.78,1.0,0.8414690562675622,0.7753580974573367,0.7843619354396546,0.7269292714687136,0.7820295901583167
EOS-3-12364,FC(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)nc1,SBYNCHWVTUTUHM-UHFFFAOYSA-N,3,1,0.444,27,988,431.406,4.16,5,0.399,0.78,1.0,0.6855081899801247,0.5353214310191213,0.8858457268179014,0.842145843328079,0.7372052977863066
EOS-3-12365,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncc(F)c5)cn4)n23)cn1,MMGQVGYARFSMAF-UHFFFAOYSA-N,3,1,0.366,82,845,413.376,1.943,5,0.472,0.8,1.0,0.2061973134123775,0.1840775135357412,0.22596120896443012,0.23045027756836406,0.2116715783702282
EOS-3-12366,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)n4)n23)c(F)c1,AEWRTYKPYRSDAT-UHFFFAOYSA-N,3,1,0.494,20,279,435.398,2.276,5,0.4,0.69,1.0,0.7251730518812967,0.6210078130354328,0.28037831539990404,0.29877150298128985,0.48133267082448083
EOS-3-12367,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnn6)cn5)n34)cn2)cc1,SYQMFBRXMMBTEW-UHFFFAOYSA-N,3,1,0.311,94,945,430.435,3.162,6,0.415,0.68,1.0,0.13957233911315195,0.08442704406826125,0.24043931190459872,0.2956188746487561,0.190014392433692
EOS-3-12368,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(F)c1,UOWHPOPNOKFDRC-UHFFFAOYSA-N,3,1,0.448,51,196,436.838,3.353,5,0.417,0.69,1.0,0.7311698992529642,0.6789030909464738,0.5464841340552395,0.560165512987458,0.6291806593105339
EOS-3-12369,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncs5)c(F)c4)n23)cc1,OCJOGXJPJJNKFY-UHFFFAOYSA-N,3,1,0.333,25,508,456.47,3.306,6,0.397,0.69,1.0,0.20620588033719417,0.3034404770063738,0.25469467479953395,0.32998937701322734,0.2735826022890823
EOS-3-12370,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1ncno1,PZUZHVMXQFHESQ-UHFFFAOYSA-N,3,1,0.478,4,248,433.403,3.271,5,0.398,0.75,1.0,0.6227554656980331,0.5588119388664246,0.4601980673017614,0.3052052635186074,0.4867426838462066
EOS-3-12371,Cc1ccc(-c2cc(-c3nnc4cncc(COc5ccc(Cl)c(C)c5)n34)ncn2)nc1,AVIGHKSFPTYTPC-UHFFFAOYSA-N,3,1,0.356,44,481,443.898,4.493,5,0.395,0.81,1.0,0.46421595504077856,0.42778939072030703,0.5983911315194298,0.570017476526626,0.5151034884517853
EOS-3-12372,Cn1cnnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c1,UOKBZRWMNKWLNR-UHFFFAOYSA-N,3,1,0.389,33,760,428.416,1.055,5,0.418,0.68,1.0,0.3709221437872661,0.09373929134397917,0.06444897539579193,0.03421629771777123,0.14083167706120212
EOS-3-12373,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccs5)nn4C)n23)cn1,KXIZTSPEKDEZJY-UHFFFAOYSA-N,3,1,0.33,50,974,417.458,2.07,5,0.476,0.71,0.714,0.09485299157014598,0.11573058734836543,0.011856623946268248,0.005157288739634021,0.056899372901103425
EOS-3-12374,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)nc1,ATSQGVCDOAULQV-UHFFFAOYSA-N,3,1,0.293,86,968,434.427,1.896,6,0.404,0.67,1.0,0.10473065588376397,0.07737646494414364,0.0815656911794942,0.09580392022479611,0.08986918305804949
EOS-3-12375,c1cncc(-c2ncc(-c3nnc4cncc(-c5cc(-c6cncnn6)ncn5)n34)cn2)c1,ZWCASSPDAQOYDH-UHFFFAOYSA-N,3,1,0.273,86,780,432.411,1.952,6,0.402,0.68,1.0,0.09720889589472963,0.06288122815434172,0.10353128640943048,0.11781235007881571,0.0953584401343294
EOS-3-12376,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cn1,FIFMUGDZFGIVIF-UHFFFAOYSA-N,3,1,0.464,58,779,451.853,2.791,5,0.387,0.69,1.0,0.6370450962922349,0.6254454800904667,0.294899252964156,0.3267682132821602,0.47103951065725447
EOS-3-12377,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cn1,XLPLQIPRBJWNPQ-UHFFFAOYSA-N,3,1,0.488,2,884,431.406,3.809,5,0.418,0.75,1.0,0.7669196765129189,0.7035244328695771,0.8280875197039271,0.7807723939414708,0.7698260057569735
EOS-3-12378,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)ccc1F,MAMCOOYWLCZJOG-UHFFFAOYSA-N,3,1,0.536,4,71,431.406,3.809,5,0.418,0.75,1.0,0.7520988965800837,0.7753666643821534,0.6686399150161059,0.609990747721198,0.7015240559248852
EOS-3-12379,Cc1ccc(-c2ncncc2-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,PJKRLAJJBUUZNT-UHFFFAOYSA-N,3,1,0.303,98,725,446.478,3.414,6,0.405,0.71,1.0,0.09241998492221232,0.04756356658213968,0.26533479542183536,0.23335446508121443,0.15966820300185045
EOS-3-12380,Cn1ncnc1-c1nnc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,GCBDCSPAZLGXGH-UHFFFAOYSA-N,3,1,0.494,36,706,423.799,2.962,5,0.434,0.75,1.0,0.682406963196491,0.8350181618806113,0.23340586663011445,0.352460420807347,0.525822853128641
EOS-3-12381,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)ncc4-c4cnc(C)cn4)n23)cn1,PGTXMBAJERDMGT-UHFFFAOYSA-N,3,1,0.319,82,974,438.455,2.077,5,0.447,0.61,0.999,0.1751936125008567,0.055145295044890685,0.04411966280583922,0.016782605715852238,0.0728102940168597
EOS-3-12382,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)nc1,ICDBAUSWFDRMSK-UHFFFAOYSA-N,3,1,0.562,73,82,451.824,4.154,5,0.396,0.77,1.0,0.9335634980467411,0.9688078267425125,0.6905883763964088,0.7636214104585018,0.8391452779110411
EOS-3-12383,CNC(=O)c1ccc(-c2nnc3cncc(COc4ncc(-c5ccc(F)cc5F)nn4)n23)cc1,VAWQDVOZIFGCFE-UHFFFAOYSA-N,3,1,0.419,14,124,474.431,2.86,5,0.399,0.75,1.0,0.620022616681516,0.4586731546843945,0.47404221780549655,0.39699129600438626,0.4874323212939483
EOS-3-12384,Cc1ccc(-c2cc(-c3nnc4cncc(OCCNc5ccc(F)cc5)n34)ccn2)nn1,YENZJYQOLMQBQV-UHFFFAOYSA-N,3,1,0.447,11,241,442.458,3.582,5,0.382,0.75,0.999,0.4813840723733809,0.18846377904187514,0.41277157151668836,0.34278836268932905,0.35635194640531836
EOS-3-12385,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cnn2)nc1,AQVMESJCLCYPIY-UHFFFAOYSA-N,3,1,0.612,59,294,435.369,3.64,5,0.416,0.72,1.0,0.8731067096155164,0.8418545678843122,0.8782896991296004,0.879463367829484,0.8681785861147283
EOS-3-12386,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)n1,ITZCPKQWMKWFRH-UHFFFAOYSA-N,3,1,0.565,37,161,434.41,2.882,5,0.405,0.69,1.0,0.7035072990199438,0.6789116578712905,0.5429288602563224,0.510365979028168,0.6089284490439312
EOS-3-12387,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnc(F)c5)c4)n23)cc1,XKACPBKFDGQEIY-UHFFFAOYSA-N,3,1,0.356,74,246,414.404,2.538,5,0.454,0.8,1.0,0.016996778836268933,0.10664964704269755,0.4846395038037146,0.37850387225001714,0.24669745048317457
EOS-3-12388,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)cc1,RMCRGRKSJMSCKM-UHFFFAOYSA-N,3,1,0.319,94,566,433.439,2.501,6,0.412,0.67,1.0,0.05591631827839079,0.02810808032348708,0.1980244671372764,0.1845829620999246,0.11665795695976972
EOS-3-12389,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(OC)c2)cn1,CTCIPNKPXMMQAP-UHFFFAOYSA-N,3,1,0.484,20,658,442.483,3.095,5,0.361,0.76,1.0,0.18392330888904118,0.0809317387430608,0.21215989308477828,0.11551641422794874,0.14813283873620725
EOS-3-12390,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)nn4C)n23)nc1,CIKYMDRKTJQDSW-UHFFFAOYSA-N,3,1,0.38,33,53,460.433,1.454,5,0.399,0.68,0.975,0.3339644301281612,0.2522531012267836,0.0604910561304914,0.028305119594270442,0.16875342676992666
EOS-3-12391,Fc1cc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)ccc1Cl,UWFPSFPSVLNDPF-UHFFFAOYSA-N,3,1,0.592,68,255,424.745,3.972,4,0.461,0.71,1.0,0.922400795010623,0.9666146939894456,0.9851278185182647,0.969981495442396,0.9610312007401822
EOS-3-12392,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(F)ccc4C(F)F)n23)cc1F,GWJIMCRKLNRZOG-UHFFFAOYSA-N,3,1,0.333,61,917,440.364,3.865,5,0.395,0.75,1.0,0.3008789664861901,0.5217000205606196,0.8869679939688849,0.9024227263381537,0.652992426838462
EOS-3-12393,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)cn1,LWGWQPHRXOCHMG-UHFFFAOYSA-N,3,1,0.273,99,601,437.431,1.234,6,0.395,0.67,0.944,0.07063429511342609,0.043888355835789185,0.011316907682818176,0.00942361729833459,0.03381579398259201
EOS-3-12394,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ncc(F)cn4)n23)nc1,FAFAQESHDKNZQW-UHFFFAOYSA-N,3,1,0.297,86,902,451.429,2.64,6,0.398,0.66,1.0,0.22549859502433006,0.24724145020903296,0.1142742101295319,0.14709409910218627,0.1835270886162703
EOS-3-12395,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccncn6)cn5)n34)nc2)nc1,FPWQSXIICUYGAO-UHFFFAOYSA-N,3,1,0.29,94,165,448.425,3.301,6,0.4,0.68,1.0,0.3086491672949078,0.31880097320265915,0.36143855801521485,0.3845264203961346,0.34335377972722914
EOS-3-12396,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccc5)n34)cn2)n1,BVAPOFAMIKNDIE-UHFFFAOYSA-N,3,1,0.327,98,945,438.48,3.167,6,0.412,0.7,1.0,0.05767253786580769,0.08094030566787745,0.04918271537248989,0.08270509218011103,0.06762516277157152
EOS-3-12397,Cc1cnc(-c2ccc(F)c(-c3nnc4cncc(-c5nc(-c6ccccn6)nn5C)n34)c2)nc1,BFCIMZBNWZESKD-UHFFFAOYSA-N,3,1,0.318,10,979,464.468,3.553,6,0.389,0.76,0.598,0.1370793639915016,0.3034490439311905,0.13128812281543417,0.17354876293605648,0.18634132341854567
EOS-3-12398,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(Cl)c5)n4)n23)s1,GGCBTXGFMTUUCE-UHFFFAOYSA-N,3,1,0.417,46,122,463.91,3.641,5,0.408,0.76,1.0,0.3959803988760195,0.26758789664861904,0.2439860187786992,0.28962202727708863,0.2992940853951066
EOS-3-12399,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)n1,NBIOGOKYWYNFFR-UHFFFAOYSA-N,3,1,0.511,72,482,445.874,3.017,5,0.388,0.67,1.0,0.8272051264478103,0.8806284696045508,0.1587708176273045,0.18715303954492496,0.5134393633061477
EOS-3-12400,OCc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)n1,VJTHQZOTKJFEGA-UHFFFAOYSA-N,3,1,0.51,65,981,460.885,2.806,5,0.39,0.75,1.0,0.6765728873963403,0.7361044479473648,0.3206085943389761,0.32351278185182647,0.514199677883627
EOS-3-12401,Cc1cnc(-c2ncncc2-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)nc1,AFLACIGTMDOLDL-UHFFFAOYSA-N,3,1,0.469,65,262,445.874,3.017,5,0.388,0.69,1.0,0.6824155301213076,0.6593790692892879,0.13129668974025083,0.1680059625796724,0.41027431293262967
EOS-3-12402,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ncn2)nc1,OPJPYWDUHROREO-UHFFFAOYSA-N,3,1,0.441,44,481,448.849,3.452,5,0.389,0.7,0.79,0.6370536632170516,0.6300716194914674,0.4567541635254609,0.5205606195600028,0.5611100164484957
EOS-3-12403,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2)nc1,IKDWMTZZLHNRJW-UHFFFAOYSA-N,3,1,0.467,18,775,448.849,3.452,5,0.389,0.7,1.0,0.7921578370228223,0.8242067027619766,0.40241415941333697,0.4509200877253101,0.6174246967308615
EOS-3-12404,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)c(F)c4)n23)nc1,RYRUSKPWGFIZFD-UHFFFAOYSA-N,3,1,0.276,98,866,453.445,2.583,6,0.4,0.66,1.0,0.1670978685491056,0.272719484613803,0.21884209444177918,0.25086525940648347,0.2273811767527928
EOS-3-12405,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnncn5)cc4F)n23)ccc1F,DTUTWKQSONNNJF-UHFFFAOYSA-N,3,1,0.478,4,712,432.394,3.204,5,0.417,0.71,1.0,0.7251816188061133,0.6987269549722431,0.6608097457336715,0.6069152217120143,0.6729083853060106
EOS-3-12406,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cn5)n34)cn2)n1,VYSCHEKJKJBWNI-UHFFFAOYSA-N,3,1,0.296,86,968,436.439,3.007,6,0.41,0.68,1.0,0.10473922280858063,0.09989034336234665,0.14956994037420326,0.12235282023164964,0.11913808169419504
EOS-3-12407,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cn1,ZESMFZWYOUUHOU-UHFFFAOYSA-N,3,1,0.302,10,37,454.885,3.488,6,0.401,0.73,0.985,0.024964018915769996,0.14759954766636968,0.28786580768967174,0.3814937290110342,0.2104807758207114
EOS-3-12408,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)[nH]1,LVCDWEJXAGRWHK-UHFFFAOYSA-N,3,1,0.346,93,220,434.438,4.445,6,0.44,0.78,1.0,0.26862449455143583,0.40032382975807,0.607771914193681,0.6944092248646426,0.49278236584195734
EOS-3-12409,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,XKIBCAOAYNDKFB-UHFFFAOYSA-N,3,1,0.533,35,426,443.898,4.227,5,0.388,0.76,1.0,0.8089575765883079,0.8242152696867933,0.5565588376396409,0.5472123226646562,0.6842360016448495
EOS-3-12410,Cc1nc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)oc1C,LBNPFZKKCFNTGJ-UHFFFAOYSA-N,3,1,0.418,44,348,434.406,4.315,5,0.407,0.79,1.0,0.7608114591186348,0.630080186416284,0.640651771640052,0.5731187033102597,0.6511655301213076
EOS-3-12411,Cc1cc(C#N)ccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)O)c(F)c4)n23)nc1,DEVRDJPBZJRPSK-UHFFFAOYSA-N,3,1,0.365,62,139,450.433,4.538,5,0.427,0.82,1.0,0.3212682475498595,0.19269583990130904,0.8834469878692345,0.8281217874031938,0.5563832156808992
EOS-3-12412,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)c2)cn1,LWWXEIQSMANGAX-UHFFFAOYSA-N,3,1,0.289,86,967,432.451,3.106,6,0.418,0.68,1.0,0.06468028236584196,0.051204509629223495,0.3804057295593174,0.33961860050716197,0.20897728051538622
EOS-3-12413,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5csc(C(F)F)n5)cnn4)n23)cc1,GHTCDEVTQRIUOT-UHFFFAOYSA-N,3,1,0.36,74,121,450.434,3.408,5,0.435,0.67,0.994,0.10965663765334796,0.13286443698170106,0.4425245014049757,0.34601809334521283,0.2577659173463094
EOS-3-12414,Cc1cc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5cccnc5)n34)cn2)ccn1,HEOGZMAJWILJAT-UHFFFAOYSA-N,3,1,0.272,94,151,432.451,3.199,6,0.417,0.69,0.979,0.0016705503392502228,0.006596532108834213,0.2878743746144884,0.2716828867109862,0.14195608594338976
EOS-3-12415,Cc1noc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)nn2)n1,VCHAEBYNUCEYOK-UHFFFAOYSA-N,3,1,0.314,76,356,453.401,2.598,6,0.388,0.71,0.979,0.21723151257624562,0.2882170516071551,0.06445754232060859,0.12464875608251662,0.1736387156466315
EOS-3-12416,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cc1F,OMMOOZJSOIFQDK-UHFFFAOYSA-N,3,1,0.341,25,745,453.445,2.583,6,0.4,0.67,1.0,0.20621444726201082,0.30345761085600714,0.19458056336097596,0.25390651771640055,0.23953978479884863
EOS-3-12417,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)c(F)c5)n34)nn2)cn1,RJISJULJOPVECA-UHFFFAOYSA-N,3,1,0.333,98,63,453.445,2.583,6,0.4,0.67,1.0,0.14237372352820232,0.2727280515386197,0.2547032417243506,0.2569563429511343,0.23169033993557675
EOS-3-12418,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)c(F)c4)n23)nc1,NMSNQECIFREEDC-UHFFFAOYSA-N,3,1,0.278,39,972,469.419,2.779,6,0.383,0.73,0.999,0.2606229867726681,0.28822561853197176,0.2547118086491673,0.3588599136453978,0.2906050818998013
EOS-3-12419,Cc1c(-c2cncc(-c3cncc4nnc(-c5cc(Cl)c(F)cc5CO)n34)c2)cnn1C,HQCYPYONRXYFLM-UHFFFAOYSA-N,3,1,0.276,82,859,449.877,3.847,5,0.448,0.72,0.993,0.2578473031320677,0.3427198272907957,0.8115704886573916,0.7898961688712219,0.5505084469878693
EOS-3-12420,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnc(C)cn5)n34)ccc2F)nc1,FOHJWEQRJXPZQV-UHFFFAOYSA-N,3,1,0.529,20,426,442.458,3.416,5,0.394,0.71,1.0,0.827213693372627,0.8667928860256322,0.28412206154478786,0.23929134397916524,0.5543549962305531
EOS-3-12421,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)n1,WCACKEQCJHBIMP-UHFFFAOYSA-N,3,1,0.529,37,141,445.433,3.851,5,0.392,0.74,1.0,0.9378812281543417,0.8831899801247344,0.5628298266054417,0.5236704132684532,0.7268928620382428
EOS-3-12422,N#CC1(c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)ccn2)CCOCC1,IYUIZBYXJHJMML-UHFFFAOYSA-N,3,1,0.388,63,548,431.431,2.871,5,0.474,0.64,1.0,0.5270971831951203,0.34272839421561235,0.205075046261394,0.3785124391748338,0.3633532657117401
EOS-3-12423,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)cc1,DKHUHNJIXXNLQS-UHFFFAOYSA-N,3,1,0.306,10,158,452.869,3.544,6,0.399,0.72,0.993,0.054168665615790555,0.20665992735247757,0.19803303406209308,0.3815022959358509,0.21009098074155302
EOS-3-12424,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)n2)c1,VYVPDHCZNYMPKW-UHFFFAOYSA-N,3,1,0.281,10,748,452.869,3.544,6,0.399,0.72,0.803,0.008455554794051127,0.09989891028716331,0.17150126790487286,0.3554160098690974,0.15881793571379615
EOS-3-12425,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnco6)c5)n34)cn2)nc1,XWDIFNPHWYQDAJ-UHFFFAOYSA-N,3,1,0.299,86,151,425.387,3.228,6,0.423,0.76,0.997,0.05592488520320746,0.1439757384689192,0.44253306832979233,0.45092865465012677,0.2733405866630114
EOS-3-12426,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(CN)c5)n34)c(F)c2)nc1,DYEVBRYBZZXXKK-UHFFFAOYSA-N,3,1,0.466,13,374,461.888,4.6,5,0.408,0.8,1.0,0.8551847028990474,0.7882341854567885,0.8115790555822082,0.7945137413474059,0.8123779213213624
EOS-3-12427,CN(C)C(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ccccn5)n4)n23)c(F)c1,BJYZPJPUNVZUOU-UHFFFAOYSA-N,3,1,0.373,14,358,453.481,3.68,5,0.403,0.7,1.0,0.1671064354739223,0.2727366184634364,0.3242581043108766,0.24215269686793228,0.25156346377904193
EOS-3-12428,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ncc(F)cn6)cnn5)n34)cc2)nn1,XIMZDHYTGOPBHI-UHFFFAOYSA-N,3,1,0.298,98,63,462.452,3.61,6,0.387,0.73,1.0,0.287548831471455,0.3281046535535604,0.35408813652251386,0.3623552189705983,0.3330242101295319
EOS-3-12429,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)cc1F,UMPAKTKLWWWZCE-UHFFFAOYSA-N,3,1,0.31,98,151,439.418,2.369,6,0.411,0.66,1.0,0.014392433692001919,0.16318278390788843,0.1811219244739908,0.20099719004866012,0.13992358303063532
EOS-3-12430,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccn5)nn4)n23)cc1F,NOMBJTIPXRLZQA-UHFFFAOYSA-N,3,1,0.333,98,620,439.418,2.369,6,0.411,0.66,1.0,0.011222671509834829,0.17998252347337398,0.16505894044273867,0.209975327256528,0.14155986567061887
EOS-3-12431,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)cn2)cc1,KRIVULGSGSYHBE-UHFFFAOYSA-N,3,1,0.32,10,927,419.412,2.286,6,0.423,0.76,1.0,0.011231238434651498,0.028116647248303747,0.05290076074292372,0.09771434445891303,0.047490747721198
EOS-3-12432,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nc4)n23)cc1,GDIBNOXAGABKAJ-UHFFFAOYSA-N,3,1,0.505,89,398,453.422,2.069,5,0.362,0.73,0.999,0.48894010006168187,0.15560962236995407,0.2618137893221849,0.14951853882530328,0.263970512644781
EOS-3-12434,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5cccc(F)n5)c4)n23)cc1,LXCYSABSDKZJPI-UHFFFAOYSA-N,3,1,0.376,14,319,453.481,3.728,5,0.394,0.69,1.0,0.21435302583784524,0.16716640394763896,0.48822047837708177,0.3940871084915359,0.3159567541635255
EOS-3-12435,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)cn2)n1,JPYIUQGJYARUTF-UHFFFAOYSA-N,3,1,0.318,39,972,450.441,3.245,6,0.402,0.67,0.889,0.17245219655952299,0.22702350764169693,0.26182235624700156,0.3267767802069769,0.24701871016379962
EOS-3-12436,Fc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)cn1,CQIMHVCNIRPEFA-UHFFFAOYSA-N,3,1,0.372,14,81,435.825,4.166,5,0.421,0.71,1.0,0.4361335754917415,0.6495956411486533,0.8317798642999109,0.8739634020971832,0.6978681207593722
EOS-3-12437,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cnncn5)c4)n23)cc1,CSXKXGHZZGDQMU-UHFFFAOYSA-N,3,1,0.307,98,882,434.427,1.896,6,0.404,0.64,1.0,0.08085463641971079,0.023370570899869783,0.1313052566650675,0.13525460900555136,0.09269626824754987
EOS-3-12438,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cncnc5)n34)cn2)n1,JOTYUHNDOWJLCF-UHFFFAOYSA-N,3,1,0.244,86,953,435.415,1.291,6,0.394,0.69,0.998,0.05244671372764033,0.02337913782468645,0.01927558083750257,0.022967925433486396,0.029517339455828937
EOS-3-12439,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cccc(-c4cc(C)n(C)n4)n3)n12,NZKYKMNICYWFHP-UHFFFAOYSA-N,3,1,0.333,74,423,424.468,2.97,5,0.474,0.68,0.722,0.072544719347543,0.06667637584812555,0.17150983482968954,0.09377355904324583,0.10112612226715098
EOS-3-12440,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)cn1,JJLCLNLUPCYCQM-UHFFFAOYSA-N,3,1,0.312,94,515,431.463,3.711,6,0.419,0.73,0.961,0.14787368926050304,0.040375916660955385,0.26906140771708587,0.29562744157357274,0.18823461380302925
EOS-3-12441,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)nc2)n1,SODCVLCBWAHUQG-UHFFFAOYSA-N,3,1,0.28,94,892,433.439,2.501,6,0.412,0.68,0.977,0.10723219793023096,0.09374785826879584,0.08417860324857789,0.09185456788431225,0.09425330683297924
EOS-3-12442,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)nc2)n1,FTJRNBCOLFXBHO-UHFFFAOYSA-N,3,1,0.273,70,892,433.439,2.501,6,0.412,0.68,0.721,0.1047477897333973,0.07033445274484271,0.11428277705434857,0.11782091700363237,0.10179648413405523
EOS-3-12443,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)nc2)nn1,FTZUMLVANHKDTK-UHFFFAOYSA-N,3,1,0.25,86,953,433.439,2.501,6,0.412,0.68,0.991,0.049294085395106574,0.011993694743334933,0.09578678637516277,0.11313480912891509,0.06755234391062985
EOS-3-12444,Fc1cc(Cl)cc(OCc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)c1,VMIDSMLUBFUGQI-UHFFFAOYSA-N,3,1,0.367,2,767,433.834,4.015,5,0.413,0.75,1.0,0.45948701254197793,0.5926427249674456,0.8350438626550614,0.8530258378452471,0.685049859502433
EOS-3-12445,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nc1,NZNUOTXZHXICMG-UHFFFAOYSA-N,3,1,0.299,39,543,450.441,3.245,6,0.402,0.68,1.0,0.169847851415256,0.24215269686793228,0.2618309231718182,0.3396271674319786,0.25336465972174627
EOS-3-12446,Fc1cccc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)cn5)n34)cn2)c1,IDZARSNGRIHPEZ-UHFFFAOYSA-N,3,1,0.407,14,81,417.835,4.027,5,0.439,0.82,1.0,0.34114351312452884,0.47177198272907955,0.6744568569666233,0.7712031389212528,0.5646438729353711
EOS-3-12447,N#Cc1cccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,NZHVHMVDFGAKJI-UHFFFAOYSA-N,3,1,0.337,9,787,443.43,3.837,6,0.398,0.72,1.0,0.18669899252964156,0.1671749708724556,0.5663679665547255,0.6036597902816805,0.3809754300596258
EOS-3-12448,c1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)cc2)nc1,NHMKMIXHWUBCDJ-UHFFFAOYSA-N,3,1,0.315,8,927,420.4,1.681,6,0.414,0.74,1.0,0.011239805359468166,0.023387704749503118,0.03045541772325406,0.0435371119183058,0.027155009937632785
EOS-3-12449,Cn1cnnc1-c1cc(F)c(Cl)c(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c1,WSVACZDZXWSJHF-UHFFFAOYSA-N,3,1,0.35,61,252,466.839,3.284,5,0.434,0.67,1.0,0.2875573983962717,0.3715817969981495,0.7165118908916456,0.7430693578233157,0.5296801110273456
EOS-3-12450,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nn5)n34)cc2)n1C,UHSSNHOYMQDOCA-UHFFFAOYSA-N,3,1,0.299,98,63,450.47,2.148,6,0.396,0.68,0.999,0.12320951271331643,0.05900897813720787,0.03827702008087177,0.03206599958878761,0.06314037763004592
EOS-3-12451,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c(Cl)c1,QFKQEUPMAKACBZ-UHFFFAOYSA-N,3,1,0.333,9,615,466.896,3.759,6,0.386,0.77,1.0,0.21180864916729492,0.3034661777808238,0.46020663422657804,0.5236789801932699,0.3747901103419916
EOS-3-12452,CCn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,CBHKSQVWQWFHMQ-UHFFFAOYSA-N,3,1,0.365,74,311,459.901,3.145,5,0.401,0.71,1.0,0.19801590021245974,0.20666849427729422,0.05846069494894113,0.08100027414159414,0.1360363408950723
EOS-3-12453,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5nnc(Cl)s5)c4)n23)cc1,MTHGGSCRMPWVER-UHFFFAOYSA-N,3,1,0.53,89,97,435.9,4.246,5,0.407,0.78,1.0,0.8114162840106915,0.7624477417586183,0.3423942841477623,0.36236378589541496,0.5696555239531218
EOS-3-12456,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)cc1,FSPWVYLLJFQXFL-UHFFFAOYSA-N,3,1,0.292,10,748,454.404,3.169,6,0.399,0.68,0.693,0.02497258584058666,0.1515917346309369,0.342402851072579,0.5141268590226852,0.25827350764169693
EOS-3-12457,c1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccn6)cn5)n34)cn2)cc1,BSFVASXXUZMIKI-UHFFFAOYSA-N,3,1,0.315,30,93,428.459,4.372,6,0.411,0.78,1.0,0.07064286203824276,0.09990747721197998,0.4165238845863889,0.47297991912822973,0.26501353574121034
EOS-3-12458,Cn1ncc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,NMYKFGZNUGNRKI-UHFFFAOYSA-N,3,1,0.311,38,787,431.463,3.711,6,0.419,0.7,1.0,0.0664793365773422,0.04757213350695634,0.2913696799396889,0.32048865739154275,0.18147745185388253
EOS-3-12459,CCn1c(-c2cnn(C)n2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,JWQCTXZQYCFGCF-UHFFFAOYSA-N,3,1,0.297,8,890,450.47,2.322,6,0.388,0.69,1.0,0.08086320334452744,0.040384483585772055,0.010734356795284764,0.0120022616681516,0.035996076348433964
EOS-3-12460,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCC#N)nc4)n23)cc1F,QMUNIEMPTHCZTN-UHFFFAOYSA-N,3,1,0.3,82,336,467.468,2.955,5,0.394,0.76,1.0,0.2172400795010623,0.22703207456651361,0.420207662257556,0.329997943938044,0.298619440065794
EOS-3-12461,COc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)o1,IINKVNCQRPNVFI-UHFFFAOYSA-N,3,1,0.294,10,195,437.423,3.098,6,0.4,0.74,0.639,0.1232180796381331,0.1157391542731821,0.14957850729901995,0.13097114659721745,0.12987672195188815
EOS-3-12462,O=C(c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccsc4)n23)nn1)N1CCCC1,FWBOOZQOPBQMDJ-UHFFFAOYSA-N,3,1,0.387,52,821,454.519,3.608,6,0.409,0.71,0.999,0.008464121718867795,0.013090261119868413,0.0013621410458501816,0.0064251936125008565,0.007335429374271812
EOS-3-12463,Clc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)c1,YWQYTRCEGKJWHI-UHFFFAOYSA-N,3,1,0.5,2,419,430.859,3.313,5,0.404,0.72,1.0,0.7067455966006443,0.762456308683435,0.5395534918785553,0.5634723459666918,0.6430569357823316
EOS-3-12464,N#Cc1ncncc1-c1cnnc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,QODPGEIIZQXIMD-UHFFFAOYSA-N,3,1,0.292,42,303,444.418,3.232,6,0.397,0.69,0.974,0.19250736755534234,0.1756990610650401,0.5016705503392502,0.48186382016311424,0.33793519978068676
EOS-3-12465,Cc1ncncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc(C#N)n1,OWMTXQJOKIIZJL-UHFFFAOYSA-N,3,1,0.5,4,675,455.869,3.451,5,0.391,0.75,1.0,0.8620725104516482,0.9420361866904257,0.42419128229730657,0.42883455554794053,0.6642836337468303
EOS-3-12466,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nccnn5)n4)n23)cn1,JMXJUPUUQUIXKD-UHFFFAOYSA-N,3,1,0.44,92,205,454.454,1.762,5,0.386,0.69,1.0,0.36189260503049825,0.14398430539373586,0.03293125899527106,0.013432938112535124,0.13806027688301006
EOS-3-12467,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6c(F)cccc6F)nc5)n34)nn2)cn1,ZUXJAKXUNTTWSX-UHFFFAOYSA-N,3,1,0.302,10,872,456.42,3.113,6,0.401,0.67,1.0,0.012893221849085052,0.16319135083270508,0.5327599204989377,0.5795438969227606,0.3220970975258721
EOS-3-12468,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cc1,LAZCDCFKIOEUIK-UHFFFAOYSA-N,3,1,0.346,32,693,436.41,4.104,6,0.406,0.77,1.0,0.3481769583990131,0.4189226235350559,0.512482009457885,0.5762541977931601,0.4639589472962785
EOS-3-12469,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)cn1,PXULKGDBBNNTFF-UHFFFAOYSA-N,3,1,0.305,96,204,469.455,4.086,6,0.39,0.83,1.0,0.23931704475361523,0.3281132204783771,0.5260605852923035,0.6304485641834007,0.4309848536769242
EOS-3-12470,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)s1,CEAXBDJWBBLPBW-UHFFFAOYSA-N,3,1,0.39,52,310,470.518,3.698,6,0.399,0.8,1.0,0.37334658351038313,0.15931910081557124,0.056593105338907546,0.055633609759440754,0.1612230998560757
EOS-3-12471,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)c(F)c1,QJUPEEXTDFUKSO-UHFFFAOYSA-N,3,1,0.31,98,765,453.445,2.583,6,0.4,0.68,1.0,0.21724864642587896,0.2984973613871565,0.18763278733465835,0.21315365636351175,0.22913311287780141
EOS-3-12472,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)nc1,JJWCFURZFCYENL-UHFFFAOYSA-N,3,1,0.274,64,495,430.435,3.162,6,0.415,0.7,1.0,0.08288499760126106,0.043896922760605854,0.20145123706394352,0.2598433966143513,0.14701913851004045
EOS-3-12473,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)c5)n34)cc2C)n(C)n1,YRKSUBDMWDYZFY-UHFFFAOYSA-N,3,1,0.289,98,882,449.482,3.051,6,0.435,0.64,1.0,0.12887225001713384,0.07393256116784319,0.1112929202933315,0.10834589815639778,0.10561090740867658
EOS-3-12474,Fc1cnc(-c2cnccc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nc1,DCWMDTCBRZXROG-UHFFFAOYSA-N,3,1,0.33,42,687,447.437,3.906,6,0.4,0.72,1.0,0.31887807552600916,0.32812178740319375,0.4390548968542252,0.4697159207730793,0.3889426701391268
EOS-3-12475,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)cc1,ZGBGGTJDLNLSRU-UHFFFAOYSA-N,3,1,0.375,30,757,447.437,3.906,6,0.4,0.72,0.998,0.3458381879240628,0.45868172160921117,0.37283256802138304,0.4757556027688301,0.4132770200808718
EOS-3-12476,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)ccn2)cn1,NSVWIYDRNWTRIJ-UHFFFAOYSA-N,3,1,0.523,16,256,442.87,3.691,5,0.408,0.73,1.0,0.591734630936879,0.7584469878692345,0.7993112192447399,0.7610941676375849,0.7276467514221097
EOS-3-12477,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)cn1,VUPHTKOZTKRMDN-UHFFFAOYSA-N,3,1,0.301,70,968,434.467,3.049,6,0.42,0.68,1.0,0.08087177026934411,0.059017545062024536,0.272642382290453,0.22160921115756288,0.15853522719484614
EOS-3-12478,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)nc2)cn1,FZOYTKPMODSDMA-UHFFFAOYSA-N,3,1,0.253,70,813,434.467,3.049,6,0.42,0.68,1.0,0.028570694263587142,0.028125214173120416,0.3093687889795079,0.2508738263313001,0.1542346309368789
EOS-3-12479,CC(C)c1ncc(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)ncn2)cc1F,BLBNIODZHVVIDB-UHFFFAOYSA-N,3,1,0.337,82,974,455.457,3.067,5,0.427,0.67,0.769,0.18670755945445822,0.1927044068261257,0.26183949009663493,0.15469296141457062,0.1989861044479474
EOS-3-12480,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)nc1,XWUWMAHYXYECAD-UHFFFAOYSA-N,3,1,0.266,70,813,432.451,3.106,6,0.418,0.69,1.0,0.03604961962853814,0.030875197039270785,0.27265094921526967,0.25696490987595094,0.14913516893975737
EOS-3-12481,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(CO)nc5)n34)c2)cn1,UBYUANVMOFGYRU-UHFFFAOYSA-N,3,1,0.523,97,160,425.452,3.023,5,0.442,0.75,1.0,0.38719930093893495,0.22704064149133027,0.49815811116441644,0.3656106504009321,0.36950217599890345
EOS-3-12482,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)O)c(F)c4)n23)cc1F,VERZUZIYGPMPGJ-UHFFFAOYSA-N,3,1,0.381,61,682,409.352,2.794,4,0.536,0.88,1.0,0.40016105818655334,0.15932766774038792,0.732335001028031,0.6006527996710301,0.47311913165650055
EOS-3-12483,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(C#N)c5)n34)c2)cn1,JNOSXFKXANYAQL-UHFFFAOYSA-N,3,1,0.494,53,466,435.451,2.84,5,0.395,0.7,1.0,0.7431207593722158,0.47642382290453017,0.43127612912069085,0.3751370707970667,0.5064894455486258
EOS-3-12484,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)nc2)cn1,RIHYRZBNTQVXMC-UHFFFAOYSA-N,3,1,0.253,99,286,436.443,1.839,6,0.406,0.65,1.0,0.05947159207730793,0.04758070043177301,0.07064286203824276,0.06981187033102597,0.06187675621958742
EOS-3-12485,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4)n23)nc1,HJUMIGFRISXUQK-UHFFFAOYSA-N,3,1,0.278,99,286,436.443,1.839,6,0.406,0.65,1.0,0.06648790350215887,0.036983414433554934,0.04256904941402234,0.04488211911452265,0.0477306216160647
EOS-3-12486,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cc1,RRWQVIISWLJYAR-UHFFFAOYSA-N,3,1,0.31,10,620,436.414,3.03,6,0.414,0.66,1.0,0.014401000616818586,0.13643684463025152,0.365096634911932,0.45415838530601055,0.24252321636625318
EOS-3-12487,Cn1ccc(-c2cc(F)c(COc3cncc4nnc(-c5ccc(C(=O)O)cn5)n34)cn2)n1,IZVYPBRGEAWHTF-UHFFFAOYSA-N,3,1,0.367,46,62,446.402,2.398,5,0.417,0.67,1.0,0.44087965184017547,0.09991604413679665,0.31702761976560895,0.19282434377355903,0.262661914879035
EOS-3-12488,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(CO)cn3)n12,QVWGBTODFMBBOA-UHFFFAOYSA-N,3,1,0.33,63,437,416.441,2.246,5,0.495,0.81,1.0,0.2062230141868275,0.051213076554040164,0.1910509903365088,0.1547015283393873,0.15079715235419094
EOS-3-12489,COc1cc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)ccc1-c1ccccc1,RTSYSNHCTJNVMP-UHFFFAOYSA-N,3,1,0.58,91,955,426.48,3.822,5,0.394,0.8,1.0,0.3709307107120828,0.2570334452744843,0.5161315194297855,0.4129771777122884,0.38926821328216027
EOS-3-12490,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4cnncn4)cn3)n12,ZJUFZRWEFNNIDO-UHFFFAOYSA-N,3,1,0.506,51,446,435.81,2.805,5,0.41,0.68,1.0,0.7189962990884792,0.9138338701939552,0.4846480707285313,0.5406072236310054,0.6645213659104928
EOS-3-12491,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)cn4)n23)ccc1Cl,HIKYGURKAYZIRP-UHFFFAOYSA-N,3,1,0.541,73,212,435.81,2.805,5,0.41,0.68,1.0,0.8439106298403125,0.9214498663559728,0.5161400863546022,0.5700260434514427,0.7128816565005826
EOS-3-12492,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)c(F)c4)n23)n1,QCMLVSNJPUIDDT-UHFFFAOYSA-N,3,1,0.337,76,314,450.441,3.245,6,0.402,0.69,1.0,0.222585840586663,0.22162634500719622,0.32061716126379275,0.36237235282023167,0.2818004249194709
EOS-3-12493,Cn1c(-c2cnccn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4F)nc3)n12,IOMJVFAZEHSMHA-UHFFFAOYSA-N,3,1,0.368,8,474,450.441,3.245,6,0.402,0.69,0.986,0.15365636351175382,0.2675964635734357,0.17806353231444041,0.2925604824892057,0.2229692104722089
EOS-3-12494,Fc1cc(-c2nnc3cncc(OCc4nccc(-c5ccncc5)n4)n23)ccc1Cl,NBEWGMPEVOFFPU-UHFFFAOYSA-N,3,1,0.531,59,756,433.834,4.015,5,0.413,0.73,1.0,0.8485367692413132,0.9543125899527106,0.7138904118977452,0.7455708998697828,0.8155776677403879
EOS-3-12495,O=C(O)c1ccc(-c2nnc3cncc(-c4snnc4-c4ccccc4F)n23)nc1,MGSWMGKVEWLBMY-UHFFFAOYSA-N,3,1,0.329,22,844,419.401,3.209,5,0.472,0.76,1.0,0.06649647042697553,0.1328730039065177,0.22961071893633062,0.2716914536358029,0.17516791172640667
EOS-3-12496,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4OC)n23)cc1,WZOGMWUZGKSKIU-UHFFFAOYSA-N,3,1,0.494,89,926,471.481,1.929,5,0.378,0.79,1.0,0.40016962511137,0.1294719347543006,0.16192344595983826,0.05278082379549037,0.18608645740524982
EOS-3-12497,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5cncc(F)c5)n4)n23)cc1,IRVHSMCPPMUAJU-UHFFFAOYSA-N,3,1,0.291,39,527,454.404,3.169,6,0.399,0.69,0.99,0.03088376396408745,0.12948050167911726,0.33883901034884517,0.469724487697896,0.24223194092248646
EOS-3-12498,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)cc3F)n12,DRNRXKJCYUFNMA-UHFFFAOYSA-N,3,1,0.558,37,386,431.406,3.543,5,0.406,0.73,1.0,0.9157442944280721,0.9007436090740868,0.7497515591803167,0.7507196216846,0.8292397710917688
EOS-3-12499,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)cc1,QEMGINZKJVBOTN-UHFFFAOYSA-N,3,1,0.313,32,543,437.398,3.499,6,0.408,0.69,0.999,0.2366098965115482,0.30347474470564045,0.357746213419231,0.4509372215749435,0.3371920190528408
EOS-3-12500,Fc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnc(F)cn5)n4)n23)cc1,CBNNETJIWLTPRL-UHFFFAOYSA-N,3,1,0.432,45,81,435.825,4.166,5,0.421,0.72,1.0,0.48139263929819753,0.64960420807347,0.747421355630183,0.8342214378726612,0.678159910218628
EOS-3-12501,Cc1ccnc(COCc2cncc3nnc(-c4cccc(-c5ncc(F)c(C)n5)c4)n23)n1,PIAVTZPFQOWACI-UHFFFAOYSA-N,3,1,0.406,85,351,442.458,3.511,5,0.394,0.73,1.0,0.4889486669864985,0.3904975669933521,0.22961928586114727,0.18189294770749093,0.32273961688712216
EOS-3-12503,FC(F)COc1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)cn1,YNNDGRXWFHVNBH-UHFFFAOYSA-N,3,1,0.456,68,900,453.331,3.218,4,0.394,0.71,1.0,0.862081077376465,0.8383849633335618,0.9305051058871907,0.7712117058460695,0.8505457131108218
EOS-3-12504,Cc1nc(-c2ccc(-c3cccc(-c4cncc5nnc(-c6ccccc6)n45)n3)nn2)no1,AORGKVHOHUDMJA-UHFFFAOYSA-N,3,1,0.371,76,541,433.435,3.669,6,0.41,0.73,0.998,0.1564320471523542,0.14760811459118633,0.10353985333424714,0.13526317593036805,0.13571079775203893
EOS-3-12505,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)nc1,ZWVUOTMTAAFMJH-UHFFFAOYSA-N,3,1,0.57,11,161,430.418,4.148,5,0.403,0.76,1.0,0.8368943184154616,0.8164622027277089,0.8317884312247276,0.8241467342882599,0.8273229216640394
EOS-3-12506,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnc6)n5)n34)cc2)nc1,ONCYZCVYHJYLCA-UHFFFAOYSA-N,3,1,0.315,38,186,429.447,3.767,6,0.417,0.71,1.0,0.12589096018093346,0.1328815708313344,0.3462579672400795,0.40019532588582,0.2513064560345418
EOS-3-12507,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nncnc4-c4cc(F)cc(F)c4)n23)cc1,ZIIWHDHUTORMGG-UHFFFAOYSA-N,3,1,0.34,62,331,470.443,3.481,6,0.419,0.71,0.873,0.26063155369748475,0.21150880679871154,0.3614471249400315,0.5003255431430333,0.33347825714481527
EOS-3-12508,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)n5)ncc4F)n23)cn1,FVMXSWMXSUKPRP-UHFFFAOYSA-N,3,1,0.417,92,185,460.433,1.454,5,0.399,0.7,1.0,0.5138270166541018,0.39050613391816874,0.12834966760331712,0.06623089575765884,0.2747284284833116
EOS-3-12509,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)cnn4)n23)c(F)c1,PRHKLIGUDANFOS-UHFFFAOYSA-N,3,1,0.464,4,534,448.443,2.522,5,0.419,0.67,1.0,0.46163731067096153,0.36681001987526557,0.3170361866904256,0.2539150846412172,0.3498496504694675
EOS-3-12510,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)c2F)s1,PVLKXYKCLMUEPC-UHFFFAOYSA-N,3,1,0.371,61,124,445.483,3.832,5,0.45,0.66,0.995,0.17246076348433967,0.19271297375094237,0.33528373654992805,0.2896305942019053,0.24752201699677884
EOS-3-12511,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)nc2)nc1,JLYFWWRRWVTDQO-UHFFFAOYSA-N,3,1,0.307,50,775,422.239,3.407,5,0.435,0.71,1.0,0.2578558700568844,0.3811767527928175,0.247498457953533,0.4097560139812213,0.32407177369611406
EOS-3-12512,CONC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5noc(C)n5)c4)n23)cc1,MFHWSROFGNNFHS-UHFFFAOYSA-N,3,1,0.489,89,731,458.438,2.415,5,0.361,0.76,1.0,0.43157597148927423,0.1671835377972723,0.1682972380234391,0.06807278459324241,0.208782382975807
EOS-3-12513,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(COC)n5)ncn4)n23)cc1,MDKPFUQKHRBHMZ-UHFFFAOYSA-N,3,1,0.309,74,333,467.493,2.601,5,0.383,0.72,1.0,0.20623158111164416,0.034079226920704545,0.13747344253306834,0.06808135151805908,0.11146640052086904
EOS-3-12514,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nncs5)cc4F)n23)nc1,NNIAHYFTDIUYOT-UHFFFAOYSA-N,3,1,0.406,33,348,462.47,2.783,5,0.409,0.68,1.0,0.5319546295661709,0.342736961140429,0.3131296689740251,0.22428209170036323,0.35302583784524705
EOS-3-12515,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc(-c2ccccc2F)n1,OQIRTGWHHNEXDE-UHFFFAOYSA-N,3,1,0.418,44,446,448.849,3.718,5,0.4,0.72,1.0,0.7608200260434514,0.8548420259063807,0.2841306284696046,0.38453498732095126,0.571081916935097
EOS-3-12516,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C#CC(C)O)cn4)n23)cc1,LMYNGSHPAGUQRL-UHFFFAOYSA-N,3,1,0.478,63,536,429.44,1.252,4,0.454,0.69,1.0,0.4790967034473305,0.20667706120211088,0.412780138441505,0.1791086971420739,0.31941565005825506
EOS-3-12517,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnccc5F)s4)n23)cc1,RQPQZDPLOKXTKA-UHFFFAOYSA-N,3,1,0.412,14,740,431.456,3.139,5,0.458,0.62,0.998,0.2847731478308546,0.23183811938866425,0.3352923034747447,0.31143341786032486,0.29083424713864714
EOS-3-12518,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)n2)cn1,JABKRIQLTUFAAL-UHFFFAOYSA-N,3,1,0.284,30,541,431.463,3.711,6,0.419,0.71,0.999,0.03343670755945446,0.01908710849153588,0.2803868823247207,0.3144661092454253,0.1618442019052841
EOS-3-12519,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nc1,UKXGQASOVLURCG-UHFFFAOYSA-N,3,1,0.326,70,392,431.463,3.711,6,0.419,0.71,1.0,0.09242855184702899,0.06288979507915839,0.42021622918237267,0.38793605647316837,0.2408676581454321
EOS-3-12520,O=C(Nc1ccc(C(F)F)nn1)c1ccc(-c2cncc3nnc(-c4ccc(F)cn4)n23)nc1,ZACVZTYDCCCPAG-UHFFFAOYSA-N,3,1,0.354,50,776,463.383,3.367,5,0.421,0.67,0.998,0.07255328627235967,0.14761668151600302,0.5497052977863066,0.45729387978891095,0.30679228634089506
EOS-3-12521,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cn5)n34)nc2)cn1,ZMXDTRXYKIHOIU-UHFFFAOYSA-N,3,1,0.289,70,968,447.466,2.809,6,0.401,0.69,1.0,0.046287094784456174,0.04390548968542252,0.12835823452813377,0.1201853882530327,0.0846840518127613
EOS-3-12522,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)nn1,OEGQOJJQDOAUFO-UHFFFAOYSA-N,3,1,0.506,73,212,449.837,3.113,5,0.398,0.69,1.0,0.7576159961620177,0.9031766157220205,0.3913713933246522,0.44792166403947636,0.6250214173120416
EOS-3-12523,Clc1cnc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccncc5)nc4)n23)nc1,JMCHIEQEHZPQAM-UHFFFAOYSA-N,3,1,0.305,94,723,464.88,3.816,6,0.383,0.77,0.997,0.2527414159413337,0.2829569597697211,0.31704475361524226,0.40976458090603796,0.31562692755808375
EOS-3-12524,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)nc1,ZEJAAFGUMZNBLS-UHFFFAOYSA-N,3,1,0.453,2,131,432.394,3.204,5,0.417,0.69,1.0,0.7921664039476389,0.644626824754986,0.6136916592419985,0.5572013570008909,0.6519215612363787
EOS-3-12525,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccn2)cn1,LPGUFWZAPXTOSV-UHFFFAOYSA-N,3,1,0.461,51,441,432.394,3.204,5,0.417,0.69,1.0,0.8272222602974436,0.6496127749982866,0.677172572133507,0.594878692344596,0.6872215749434583
EOS-3-12526,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncc(F)cn4)cc3)n12,YFGFPDPLPGVHQP-UHFFFAOYSA-N,3,1,0.32,8,635,464.468,3.728,6,0.379,0.76,1.0,0.20342162977177713,0.24725001713384964,0.12836680145295046,0.19527448427112604,0.1935782331574258
EOS-3-12527,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cncnc4)n23)cn1,WMSDFOHRFIBJTJ-UHFFFAOYSA-N,3,1,0.28,94,165,433.439,2.501,6,0.412,0.69,0.999,0.08088033719416078,0.04039305051058872,0.12006545130559934,0.1352717428551847,0.09415264546638338
EOS-3-12528,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)n1,GBLKHWCBEWGWKS-UHFFFAOYSA-N,3,1,0.28,70,813,433.439,2.501,6,0.412,0.69,0.154,0.03739462682475499,0.014495236789801932,0.1342608457268179,0.15211431704475362,0.08456625659653211
EOS-3-12529,Cn1ccc(OCc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nn5)c4)n23)cc1=O,BLAHRPDTWZIRBS-UHFFFAOYSA-N,3,1,0.352,24,920,446.858,2.574,5,0.404,0.74,1.0,0.3733551504351998,0.3668185868000822,0.3540967034473305,0.3396357343567953,0.35847654375985194
EOS-3-12530,O=C(O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccn4)n23)nn1,DXZYJTQQEHHAFD-UHFFFAOYSA-N,3,1,0.408,53,587,445.374,1.85,5,0.407,0.66,0.973,0.38035432801041735,0.17570762798985676,0.1404632992940854,0.09581248714961277,0.19808443561099306
EOS-3-12532,COc1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1C#N,OZDRRGMCKXLYMQ-UHFFFAOYSA-N,3,1,0.36,0,437,411.425,2.626,5,0.536,0.83,0.997,0.2763261599616202,0.11574772119799877,0.23681550270714824,0.20998389418134467,0.20971831951202796
EOS-3-12533,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)cn1,DSGTVRGNJGQFAN-UHFFFAOYSA-N,3,1,0.302,10,871,438.43,2.974,6,0.417,0.66,0.729,0.041926530052772255,0.17571619491467344,0.2259697758892468,0.2747241450209033,0.17958416146939893
EOS-3-12534,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)nc5)n34)nc2)nn1,IZEIEXWJIJLCPH-UHFFFAOYSA-N,3,1,0.406,27,412,448.393,3.74,5,0.383,0.74,1.0,0.7125711054759784,0.6164930436570488,0.6686484819409225,0.5236875471180865,0.630350044548009
EOS-3-12535,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)cn1,ZORXFUCCWCOUPJ-UHFFFAOYSA-N,3,1,0.444,7,535,440.427,1.372,5,0.411,0.65,1.0,0.4642245219655952,0.22163491193201287,0.060499623055308066,0.0254951682544034,0.19296355630182987
EOS-3-12536,N#Cc1ccc(-c2nnc3cncc(OCc4ccncc4-c4ncc(C#N)cn4)n23)cc1,IRTSTVRPZIIXGY-UHFFFAOYSA-N,3,1,0.518,89,731,431.419,2.966,5,0.411,0.71,1.0,0.8901805907751353,0.7584555547940511,0.6660527037214722,0.6276129120690837,0.7355754403399355
EOS-3-12537,N#Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)ccc1F,PZAZMLVTXRREIE-UHFFFAOYSA-N,3,1,0.489,4,702,442.389,3.372,5,0.407,0.74,1.0,0.8219793023096429,0.8453413062846961,0.8415461585909122,0.8097114659721746,0.8296445582893565
EOS-3-12539,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(C)c(F)c5)ccn4)n23)cn1,ZZZOJJSYYXROJV-UHFFFAOYSA-N,3,1,0.424,46,160,427.443,3.978,5,0.419,0.77,1.0,0.46887636214104583,0.44990919059694334,0.6016893975738469,0.5269858131725036,0.511865190871085
EOS-3-12540,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)nc5)n4)n23)cc1,QLHCQXSAFIVFTL-UHFFFAOYSA-N,3,1,0.333,74,295,469.896,3.251,6,0.389,0.75,1.0,0.17246933040915632,0.19272154067575903,0.137482009457885,0.24796107189363306,0.18765848810910835
EOS-3-12541,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)c1,NUTADRSQYLFLLL-UHFFFAOYSA-N,3,1,0.287,25,219,466.896,3.759,6,0.386,0.79,0.991,0.18115619217325749,0.3376910424234117,0.29137824686450553,0.4541669522308272,0.31609810842300046
EOS-3-12542,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cn2)n1,YORTUUDWRMAOEK-UHFFFAOYSA-N,3,1,0.518,55,16,420.383,3.137,5,0.465,0.75,1.0,0.6884980467411418,0.6691367966554725,0.5792526214789939,0.5634809128915085,0.6250920944417792
EOS-3-12543,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5ccncc5)n4)n23)cc1,XNVQORQKHJEYRE-UHFFFAOYSA-N,3,1,0.295,10,356,438.39,1.82,6,0.4,0.67,0.996,0.0012679048728668357,0.09992461106161332,0.0584692618737578,0.13759337948050168,0.07431378932218491
EOS-3-12544,Cn1cncc1-c1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,FGTUTSXQZXPHFH-UHFFFAOYSA-N,3,1,0.398,33,53,468.481,1.848,6,0.379,0.75,1.0,0.23932561167843192,0.0937564251936125,0.02939311904598725,0.026351860736070182,0.09720675416352545
EOS-3-12545,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cc4)n23)cc1,CSBYWWDKQIVFKN-UHFFFAOYSA-N,3,1,0.327,62,302,422.452,3.136,6,0.45,0.76,1.0,0.12589952710575011,0.059026111986841205,0.22962785278596395,0.28963916112672194,0.1760481632513193
EOS-3-12546,Fc1cc(-c2cccnn2)ccc1Oc1cncc2nnc(-c3cnc(C(F)F)nc3)n12,UGJVTUUSAMVETR-UHFFFAOYSA-N,3,1,0.427,13,374,436.357,3.907,5,0.409,0.74,1.0,0.721994722774313,0.7624648756082517,0.7544119662805839,0.6914707696525255,0.7325855835789186
EOS-3-12547,Cn1cnnc1-c1ccc(Cc2cncc3nnc(-c4ccc(CO)c(F)c4)n23)cn1,BSNMZRMEPKYNNN-UHFFFAOYSA-N,3,1,0.337,85,740,416.42,2.204,5,0.468,0.76,1.0,0.34584675484887945,0.3084349941744911,0.427635186073607,0.4161126721951888,0.3745074018230416
EOS-3-12548,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(O)C(F)(F)F)nc4)n23)cc1F,SVGPHAXKCCVAHI-UHFFFAOYSA-N,3,1,0.402,66,685,460.391,2.872,4,0.444,0.67,0.998,0.4503375368377767,0.5632239051470084,0.9681396066068124,0.9035192927146871,0.7213050853265712
EOS-3-12549,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cc1,FDMXHFCTZCXSPQ-UHFFFAOYSA-N,3,1,0.286,10,356,437.402,2.425,6,0.409,0.65,1.0,0.0021759989034336237,0.07738503186896031,0.18457439517510793,0.2987800699061065,0.14072887396340208
EOS-3-12550,Fc1ccc(-c2cc(-c3nnc4cncc(Cc5ccc(F)c(Cl)c5)n34)ccn2)nc1,FCUAWMCGPIWHOW-UHFFFAOYSA-N,3,1,0.4,14,358,434.837,4.771,5,0.407,0.85,1.0,0.47910527037214723,0.5444452059488726,0.9261702419299568,0.9458656020834761,0.7238965800836132
EOS-3-12551,COc1nccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,MUMCPTCEAZXVQS-UHFFFAOYSA-N,3,1,0.517,4,534,446.858,3.279,5,0.387,0.7,1.0,0.697313412377493,0.8579432526900144,0.3614556918648482,0.3332105407442944,0.5624807244191624
EOS-3-12552,Cn1cc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5ncc(Cl)nn5)n34)c2)cn1,YALMDMJIXRCNNO-UHFFFAOYSA-N,3,1,0.433,36,404,454.281,3.263,5,0.398,0.75,1.0,0.45270200808717703,0.6210163799602495,0.36510520183674866,0.45730244671372766,0.4740315091494757
EOS-3-12553,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccnn6)c5)n34)cn2)n1C,DOTJYSLWNQVIBZ-UHFFFAOYSA-N,3,1,0.275,99,151,435.455,2.538,6,0.415,0.66,0.834,0.02397025563703653,0.040401617435405386,0.11429134397916524,0.09582105407442944,0.06862106778150914
EOS-3-12554,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)cn5)n34)cn2)cn1,PDHWWGIOXINVPM-UHFFFAOYSA-N,3,1,0.3,10,151,453.897,4.093,6,0.399,0.76,1.0,0.001439243369200192,0.10326571174011377,0.5731701048591598,0.6366767185251182,0.328637944623398
EOS-3-12555,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(Oc5ccc(F)c(Cl)c5)n4)n23)cc1,VRWRVNVAHDBMGX-UHFFFAOYSA-N,3,1,0.384,62,139,475.871,4.193,5,0.406,0.84,1.0,0.5395963265026387,0.5588205057912412,0.6798368857514906,0.6036683572064971,0.5954805188129669
EOS-3-12557,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5cccnc5F)nc(C)n4C)n23)cc1,WCPYTSKUCGKMBG-UHFFFAOYSA-N,3,1,0.36,74,139,442.458,3.061,5,0.429,0.7,1.0,0.21725721335069564,0.22704920841614695,0.21216846000959497,0.15471009526420396,0.20279624426016038
EOS-3-12558,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnc(C)s5)n4)n23)cc1,AVGGAHDKTQXPPP-UHFFFAOYSA-N,3,1,0.48,89,398,476.497,3.091,5,0.397,0.78,1.0,0.49375471180864916,0.43699883489822494,0.12565108628606675,0.07933829072716057,0.28393573093002533
EOS-3-12559,CCOc1ccc(Cl)cc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3C)n12,FYMUZOIWQQGOIW-UHFFFAOYSA-N,3,1,0.389,61,917,446.902,4.009,5,0.402,0.8,1.0,0.2659944486327188,0.35739496950174765,0.3728411349461997,0.39130285792611885,0.34688335275169624
EOS-3-12560,OCc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2)n1,ZRQYSUYHOJXUQZ-UHFFFAOYSA-N,3,1,0.707,43,96,463.86,3.507,5,0.407,0.75,1.0,0.9406826125693921,0.8886642450825851,0.752116030429717,0.7533239668288672,0.8336967137276403
EOS-3-12561,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)c(F)c1,IVSYANODMSOXBG-UHFFFAOYSA-N,3,1,0.558,35,353,433.422,3.487,5,0.381,0.77,1.0,0.8826930984853677,0.8085377972722911,0.6495356726749366,0.6069237886368309,0.7369225892673567
EOS-3-12563,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)n2)no1,SGABTDBARFJODW-UHFFFAOYSA-N,3,1,0.284,76,601,437.427,2.402,6,0.404,0.68,1.0,0.07065142896305943,0.07739359879377698,0.026060585292303474,0.022068398327736275,0.049043502844219045
EOS-3-12564,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)nc1,DECILQDXTUQOJP-UHFFFAOYSA-N,3,1,0.299,64,114,447.437,3.906,6,0.4,0.73,0.997,0.2606401206223014,0.3326622575560277,0.40937050236447126,0.47576416969364677,0.3696092625591118
EOS-3-12565,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cc2)nc1,KTIKSUWSBOPZPP-UHFFFAOYSA-N,3,1,0.277,64,495,447.437,3.906,6,0.4,0.73,1.0,0.3086577342197245,0.3135751490644918,0.38789322184908503,0.44459769721060927,0.3636809505859776
EOS-3-12566,Fc1cc(-c2cnccn2)ccc1-c1cncc2nnc(-c3nccnc3-c3ccccn3)n12,MRJRMYWANNSGSP-UHFFFAOYSA-N,3,1,0.312,64,114,447.437,3.906,6,0.4,0.73,1.0,0.2502056061956,0.33267082448084434,0.4241998492221232,0.48780069906106505,0.37371924473990814
EOS-3-12567,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)nc1,YYZHPJXPBDZCEO-UHFFFAOYSA-N,3,1,0.276,99,601,423.404,1.224,6,0.437,0.69,0.643,0.05593345212802413,0.06289836200397506,0.023087862380919744,0.022076965252552944,0.04099916044136797
EOS-3-12568,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nn1,DUGQZVMDODMGFF-UHFFFAOYSA-N,3,1,0.317,3,50,435.426,3.635,6,0.417,0.68,1.0,0.01786203824275238,0.1884723459666918,0.5260691522171201,0.5919231032828456,0.3310816599273525
EOS-3-12569,Cc1ccc(-c2nnc3cncc(OCCc4cccc(-c5ncc(F)cn5)n4)n23)cc1,PGYNMTVQEWVOJV-UHFFFAOYSA-N,3,1,0.578,11,166,427.443,3.712,5,0.408,0.73,1.0,0.9346086628743746,0.9176975532862723,0.3728497018710164,0.34924782400109655,0.64360093550819
EOS-3-12570,c1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cc1,IXAGERJNYFQKOF-UHFFFAOYSA-N,3,1,0.292,30,301,429.447,3.767,6,0.417,0.72,0.989,0.0972174628195463,0.040410184360222055,0.32426667123569325,0.40636351175382085,0.21706445754232062
EOS-3-12572,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4cccnn4)c3)n12,HDNXARRXWWCWMV-UHFFFAOYSA-N,3,1,0.523,43,433,432.846,4.62,5,0.403,0.8,1.0,0.8508926735658968,0.8940357069426359,0.8881330957439517,0.9035278596395038,0.884147333972997
EOS-3-12573,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccco5)c4)n23)cc1,OWPYTEUYGJPXNV-UHFFFAOYSA-N,3,1,0.327,74,246,411.425,3.129,6,0.477,0.91,1.0,0.0665050373517922,0.025709341374820095,0.1555239531217874,0.19283291069837571,0.11014281063669384
EOS-3-12574,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)cn2)n1,HEXPRHBUAXGVCT-UHFFFAOYSA-N,3,1,0.325,3,693,450.441,3.245,6,0.402,0.7,0.999,0.195145980398876,0.29363134809128916,0.25472037557398397,0.33964430128161194,0.2707855013364403
EOS-3-12575,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c1,CHOQIBWFLBLCDC-UHFFFAOYSA-N,3,1,0.307,39,972,450.441,3.245,6,0.402,0.7,1.0,0.11798368857514907,0.1757247618394901,0.26534336234665207,0.35542457679391404,0.22861909738880132
EOS-3-12576,Cn1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)c2)n1,PBBNSHDCCFTFSA-UHFFFAOYSA-N,3,1,0.38,9,90,448.465,4.455,6,0.396,0.81,1.0,0.20624014803646082,0.32348708107737645,0.7323435679528476,0.7558169419505174,0.5044719347543005
EOS-3-12577,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cn3)n12,JQZPCTUQHCNJOK-UHFFFAOYSA-N,3,1,0.319,98,866,466.469,1.848,6,0.37,0.73,1.0,0.07862723596737715,0.055153861969707355,0.06846686313480913,0.05153861969707354,0.06344664519224179
EOS-3-12578,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cn1,GSZLJIHZKCTDRZ-UHFFFAOYSA-N,3,1,0.293,94,892,432.451,3.106,6,0.418,0.7,0.986,0.144960934822836,0.051221643478856826,0.16193201288465492,0.17067884312247275,0.13219835857720513
EOS-3-12579,COC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)nn4)n23)cc1,BJMGGRCDIDFSPT-UHFFFAOYSA-N,3,1,0.456,89,571,441.411,1.799,5,0.356,0.74,1.0,0.4814012062230142,0.31358371598930845,0.07065142896305943,0.03422486464258789,0.2249653039544925
EOS-3-12580,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5(F)CC5)cn4)n23)c(F)c1,GCYVNIOBGUAXEH-UHFFFAOYSA-N,3,1,0.324,63,862,475.459,3.074,6,0.415,0.73,0.988,0.22847988486053047,0.2367726680830649,0.1495870742238366,0.2837365499280378,0.22464404427386742
EOS-3-12581,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)nc(C)n2)cn1,AKPLSWMFQKNABW-UHFFFAOYSA-N,3,1,0.436,44,500,445.433,4.117,5,0.402,0.74,1.0,0.7340141182920978,0.6115584949626482,0.7062658488109108,0.6394781029401686,0.6728291412514564
EOS-3-12582,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)cc1,FDHGHPSYSQQUFA-UHFFFAOYSA-N,3,1,0.506,51,343,432.394,3.555,5,0.401,0.7,1.0,0.8318741004728942,0.7753752313069701,0.7165204578164622,0.6423308889041189,0.7415251696251114
EOS-3-12583,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cn2)n1C,RBLVBJJRHDHGMQ-UHFFFAOYSA-N,3,1,0.284,10,952,435.455,2.538,6,0.415,0.67,0.999,0.05245528065245699,0.055162428894524024,0.04257761633883901,0.04354567884312247,0.04843525118223562
EOS-3-12584,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cn2)n(C)n1,SQXJADRPRFLHFH-UHFFFAOYSA-N,3,1,0.269,99,151,435.455,2.538,6,0.415,0.67,1.0,0.0058169419505174425,0.023396271674319787,0.04919128229730656,0.0462271263107395,0.03115790555822082
EOS-3-12585,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)c2)nc1,DXULVDAFALARQY-UHFFFAOYSA-N,3,1,0.481,2,491,436.357,3.035,5,0.414,0.67,1.0,0.8369028853402782,0.7711603042971695,0.7114317044753615,0.7026591734630937,0.7555385168939758
EOS-3-12586,Fc1cnnc(Oc2cncc3nnc(-c4ccc(-c5cc(F)c(Cl)cn5)cc4)n23)c1,OGCWFWTVGWTSTJ-UHFFFAOYSA-N,3,1,0.404,13,706,437.797,4.367,5,0.412,0.76,1.0,0.857360701802481,0.8697570420121993,0.8731495442395998,0.8892896305942019,0.8723892296621205
EOS-3-12587,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cccs5)cn4)n23)nn1,IKEYGBRBRUGUGE-UHFFFAOYSA-N,3,1,0.278,99,286,440.456,1.957,6,0.4,0.65,0.961,0.05594201905284079,0.07740216571859365,0.009680625042834625,0.016131519429785485,0.03978908231101364
EOS-3-12588,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(C#N)c(F)n5)cn4)n23)cc1,QLAZLCRGOJGWIE-UHFFFAOYSA-N,3,1,0.425,89,412,424.399,3.755,5,0.401,0.82,1.0,0.8770817627304502,0.857951819614831,0.6341666095538345,0.5572099239257077,0.7316025289562059
EOS-3-12589,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)ccn2)nc1,PUFOFRCYZSLIHH-UHFFFAOYSA-N,3,1,0.588,59,13,434.381,4.245,5,0.412,0.76,1.0,0.9764752244534302,0.9616630114454116,0.9270697690357069,0.9192567336029059,0.9461161846343636
EOS-3-12590,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)cn4)n23)cn1,XGPHVMGHUJHLRJ-UHFFFAOYSA-N,3,1,0.277,70,213,451.429,2.64,6,0.372,0.72,1.0,0.10966520457816462,0.2021194571996436,0.19105955726132548,0.24796963881844972,0.18770346446439584
EOS-3-12592,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cn2)cc1,GVYNHAYQLKEVGZ-UHFFFAOYSA-N,3,1,0.321,10,705,435.426,3.635,6,0.417,0.69,1.0,0.017005345761085602,0.17115859091220614,0.5327684874237544,0.6006613665958468,0.33039844767322324
EOS-3-12593,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)ccc1-c1ccncc1,GZEJKUGYMCHKKC-UHFFFAOYSA-N,3,1,0.338,9,834,434.438,4.445,6,0.44,0.74,1.0,0.29028168048797204,0.31880954012747587,0.7883112877801385,0.7989428414776232,0.5490863374683024
EOS-3-12594,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)cn2)ccn1,JDTWDNYPEPYISH-UHFFFAOYSA-N,3,1,0.295,70,899,446.478,3.414,6,0.405,0.7,1.0,0.1259080940305668,0.059034678911657874,0.2404478788294154,0.2160150092522788,0.1603514152559797
EOS-3-12595,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(C(F)F)no4)n23)cc1,NSBGAFPLTZUSKU-UHFFFAOYSA-N,3,1,0.4,66,334,410.384,3.2,5,0.524,0.89,1.0,0.22848845178534713,0.18408608046055788,0.34241141799739566,0.3524689877321637,0.2768637344938661
EOS-3-12596,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncsn5)n4)n23)cn1,FQCIRRSVUWCLDH-UHFFFAOYSA-N,3,1,0.418,7,535,446.456,1.433,5,0.406,0.69,1.0,0.37336371736001644,0.2270577753409636,0.019284147762319237,0.007281886094167638,0.15674688163936676
EOS-3-12597,Clc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4)n23)nn1,GDVACUGUHZIJMV-UHFFFAOYSA-N,3,1,0.283,10,37,440.858,3.478,6,0.446,0.68,0.898,0.018778699198135837,0.15160030155575355,0.3242752381605099,0.4479302309642931,0.2356461174696731
EOS-3-12598,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)nc1,SVZYFWCBWFUIBT-UHFFFAOYSA-N,3,1,0.309,99,812,435.455,2.444,6,0.414,0.65,1.0,0.11799225549996573,0.040418751285038725,0.08903604961962854,0.0810088410664108,0.08211397436776095
EOS-3-12599,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cn5)n34)cn2)cn1,HEONATLNPDJWDL-UHFFFAOYSA-N,3,1,0.263,70,813,435.455,2.444,6,0.414,0.65,1.0,0.029650126790487286,0.03088376396408745,0.14047186621890206,0.12019395517784937,0.08029992803783154
EOS-3-12601,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncn(C)n5)cn4)n23)cc1,KDMHNUJMVYNWKS-UHFFFAOYSA-N,3,1,0.346,74,333,411.429,2.008,5,0.481,0.83,1.0,0.11521657185936536,0.08763964087451169,0.13131382358988417,0.06808991844287575,0.10056498869165924
EOS-3-12602,Cn1ccnc1-c1cc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)nn4)n23)ccc1F,FFUZSBHCEYPUBL-UHFFFAOYSA-N,3,1,0.306,99,112,454.433,1.978,6,0.392,0.7,0.974,0.15644061407717086,0.3034833116304571,0.07512336371736002,0.11314337605373176,0.16204766636967993
EOS-3-12603,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cn2)cn1,ADFQTGRXVNVNIS-UHFFFAOYSA-N,3,1,0.305,10,952,452.869,3.544,6,0.373,0.78,0.988,0.032083133438420945,0.18409464738537454,0.23682406963196492,0.3623809197450483,0.20384569255020218
EOS-3-12604,Clc1cccc(-c2ncc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)n1,IAOXTSRPLGTUTJ-UHFFFAOYSA-N,3,1,0.294,10,37,452.869,3.544,6,0.373,0.78,0.989,0.013698512781851826,0.07394112809265986,0.22597834281406345,0.3427969296141457,0.1641037283256802
EOS-3-12605,Clc1ccc(-c2cn(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)cn1,XFDQHXVURARYLB-UHFFFAOYSA-N,3,1,0.417,42,957,452.869,3.544,6,0.373,0.78,0.842,0.004540470152833939,0.11575628812281544,0.39517510794325267,0.49088479199506546,0.2515891645534919
EOS-3-12606,Fc1ccc(-c2nnc3cncc(CCc4ccc(-c5cncnn5)nn4)n23)cc1Cl,PABBTGLDFIHTRG-UHFFFAOYSA-N,3,1,0.392,22,487,433.838,3.011,5,0.416,0.67,1.0,0.4527105750119937,0.6115670618874649,0.35410527037214723,0.50033411006785,0.47967925433486397
EOS-3-12607,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)cn4)n23)ccc1Cl,ITGHABHCODCSRY-UHFFFAOYSA-N,3,1,0.536,59,756,433.834,4.015,5,0.413,0.74,1.0,0.9050699061065041,0.9590415324515112,0.6905969433212255,0.7296449866355973,0.8210883421287095
EOS-3-12608,Fc1cc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)ccc1Cl,XCYCGJXCQZZIGB-UHFFFAOYSA-N,3,1,0.603,46,949,433.834,4.015,5,0.413,0.74,1.0,0.8919453772873689,0.7711688712219862,0.7474299225549996,0.7636299773833185,0.7935435371119183
EOS-3-12609,C#Cc1ncc(-c2nnc3cncc(-c4nccnc4-c4c(F)cccc4Cl)n23)cn1,SSAMNQBKSKKYFU-UHFFFAOYSA-N,3,1,0.342,50,961,428.818,3.479,5,0.406,0.73,0.983,0.3139949283805085,0.4277979576451237,0.5464927009800562,0.6509749160441368,0.48481512576245633
EOS-3-12610,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)s1,DDHZPVSPQPZEIU-UHFFFAOYSA-N,3,1,0.323,38,746,455.482,3.911,6,0.397,0.74,1.0,0.1951545473236927,0.3427455280652457,0.2690699746419025,0.36561921732574876,0.2931473168391474
EOS-3-12611,Fc1ccc(NCc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)cc1Cl,FTPAZGFNGRIFQQ-UHFFFAOYSA-N,3,1,0.394,14,291,431.862,4.653,5,0.436,0.8,0.995,0.13708793091631827,0.20668562812692756,0.8093516551298746,0.8302378178329107,0.49584075800150773
EOS-3-12612,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)s2)c1,WMLURLBXIJGBBV-UHFFFAOYSA-N,3,1,0.375,3,74,440.467,4.506,6,0.433,0.75,1.0,0.24750702487834966,0.4143478856829552,0.6107703378795147,0.6798882873003906,0.48812838393530256
EOS-3-12613,COc1ncc(F)cc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,NEKSEPYXPADQMX-UHFFFAOYSA-N,3,1,0.512,1,666,428.427,3.975,5,0.404,0.79,1.0,0.8989017202385032,0.7839421561236378,0.6406603385648687,0.5307038585429374,0.7135520183674868
EOS-3-12614,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccn1,WJNRXQWHTUFWRY-UHFFFAOYSA-N,3,1,0.763,84,73,429.459,3.656,5,0.41,0.76,1.0,0.4937632787334658,0.40489000068535397,0.4981666780892331,0.4414793365773422,0.45957482352134876
EOS-3-12615,COC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cccnc5)c4)n23)nc1,FBIOEWMNJRSNHV-UHFFFAOYSA-N,3,1,0.357,14,319,422.448,3.626,5,0.399,0.81,0.93,0.2062487149612775,0.08443561099307792,0.43520834761154137,0.35543314371873075,0.2703314543211569
EOS-3-12616,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ncc(F)cn5)ncn4C)n23)cc1,NSWPCPQAVKXXPB-UHFFFAOYSA-N,3,1,0.357,74,333,429.419,2.148,5,0.465,0.63,0.994,0.20905866630114453,0.17573332876430675,0.1283753683777671,0.09988177643752999,0.15326228497018707
EOS-3-12617,Cn1cc(-c2cnc(F)c(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)c2)cn1,GADIDXMQUUQIPM-UHFFFAOYSA-N,3,1,0.3,99,286,453.445,2.583,6,0.374,0.72,1.0,0.10475635665821396,0.22706634226578026,0.27681447467617026,0.25392365156603386,0.21564020629154962
EOS-3-12618,FC(F)c1cc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)ccn1,HPGXDHYSYQDRNE-UHFFFAOYSA-N,3,1,0.396,18,181,432.394,3.555,5,0.401,0.71,1.0,0.617315468439449,0.49910903981906657,0.7244020286477966,0.6132461791515318,0.613518179014461
EOS-3-12619,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)c(F)c1,ZSEFQBBDKMTVPK-UHFFFAOYSA-N,3,1,0.279,39,449,454.404,3.374,6,0.43,0.7,0.999,0.2902902474127887,0.3574035364265643,0.442541635254609,0.5269943800973202,0.4043074497978206
EOS-3-12620,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)n1,PDQJYBVHKYEGCL-UHFFFAOYSA-N,3,1,0.317,3,158,441.455,3.697,6,0.411,0.69,1.0,0.06300116510177507,0.25704201219930095,0.2653519292714687,0.3879446233979851,0.24333493249263244
EOS-3-12621,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cc2)cn1,AHDRYKNZOHOMOO-UHFFFAOYSA-N,3,1,0.333,98,151,421.428,2.229,6,0.425,0.72,1.0,0.0033839353025837847,0.014503803714618601,0.2618480570214516,0.2479782057432664,0.1319285004454801
EOS-3-12622,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4cc(Cl)ccc4F)n23)ncc1F,QFENMJVUQDGHPD-UHFFFAOYSA-N,3,1,0.325,22,252,424.802,3.58,5,0.44,0.73,0.986,0.23096429305736413,0.38118531971763414,0.6906055102460421,0.7989514084024398,0.5254266328558701
EOS-3-12623,Cc1nccn1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cn1,VATRXTZNOPSJIZ-UHFFFAOYSA-N,3,1,0.32,42,983,431.463,3.804,6,0.418,0.71,1.0,0.02857926118840381,0.03089233088890412,0.3951836748680694,0.3845435542457679,0.2097997052977863
EOS-3-12624,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ncc(Cl)cn5)n[nH]4)n23)cn1,FQZRTCDONNCYEE-UHFFFAOYSA-N,3,1,0.333,50,489,433.823,1.441,5,0.428,0.67,0.257,0.2366184634363649,0.2882341854567884,0.021048934274552806,0.021288808169419506,0.1417975978342814
EOS-3-12625,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)c(F)c1,JLDDZZXFEYGTCY-UHFFFAOYSA-N,3,1,0.366,25,219,467.443,3.989,6,0.387,0.79,1.0,0.21436159276266192,0.37646494414365017,0.622704064149133,0.7081848399698444,0.48042886025632237
EOS-3-12626,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4Cl)n23)nc1,UGJALZZLLKHIME-UHFFFAOYSA-N,3,1,0.402,46,564,436.838,3.353,5,0.417,0.68,1.0,0.6671578370228223,0.5678243437735591,0.5763912685902268,0.5762627647179769,0.5969090535261463
EOS-3-12627,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cc2)ncn1,CTMLVQKWUXSYEC-UHFFFAOYSA-N,3,1,0.309,38,126,443.474,4.076,6,0.401,0.73,1.0,0.1342865465012679,0.0968405181276129,0.3316427935028442,0.3017870605167569,0.21613922966212046
EOS-3-12628,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(CO)cc5)ncn4)n23)cn1,RSZIYYHMPIBYKG-UHFFFAOYSA-N,3,1,0.506,44,238,436.435,2.586,5,0.426,0.7,0.742,0.6227640326228497,0.3905147008429854,0.6341751764786512,0.5307124254677541,0.5445415838530601
EOS-3-12629,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4ncc(F)cc4Cl)cn3)n12,RLCZKASGUCJQMT-UHFFFAOYSA-N,3,1,0.35,96,139,459.872,4.115,5,0.432,0.7,0.999,0.2284970187101638,0.31359228291412516,0.6660612706462888,0.6565005825508875,0.4661627887053663
EOS-3-12630,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)nn2)cn1,FDACRXIRQQRVAQ-UHFFFAOYSA-N,3,1,0.25,99,813,435.455,2.444,6,0.414,0.67,1.0,0.02079192653005277,0.014512370639435269,0.16830580494825578,0.13760194640531834,0.08530301213076555
EOS-3-12631,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)nc1,GIYKWDOHJHWGBF-UHFFFAOYSA-N,3,1,0.534,11,159,426.455,4.317,5,0.402,0.8,1.0,0.6611609896511548,0.5494140223425399,0.6744654238914399,0.6423394558289356,0.6318449729285176
EOS-3-12632,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(F)ncn5)cn4)n23)nc1,VFYGHFJRFDFZAO-UHFFFAOYSA-N,3,1,0.37,51,113,444.39,1.25,5,0.377,0.69,0.73,0.48140977314783084,0.24216126379274897,0.12565965321088343,0.08101740799122747,0.23256202453567268
EOS-3-12633,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)c5)nn4)n23)cc1,DRSGLVMMBAUZCO-UHFFFAOYSA-N,3,1,0.464,89,731,473.884,2.63,5,0.395,0.74,1.0,0.5216314851620862,0.47178054965389626,0.21217702693441162,0.17911726406689055,0.3461765814543212
EOS-3-12634,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)n1C,GPLNUCFHLYQWLF-UHFFFAOYSA-N,3,1,0.282,98,373,449.482,2.753,6,0.403,0.68,1.0,0.192515934480159,0.09684908505242958,0.09345658282502912,0.08617469673086149,0.1172490747721198
EOS-3-12635,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccncc5)nn4)n23)cn1,FSDWLTCKTUDETF-UHFFFAOYSA-N,3,1,0.396,92,986,466.465,1.904,6,0.377,0.74,1.0,0.32127681447467615,0.14762524844081967,0.019292714687135906,0.023678980193269823,0.1279684394489754
EOS-3-12636,Fc1ccnc(-c2nccnc2-c2nnc3cncc(CCc4ccc(Cl)nn4)n23)c1,TXGOIVBZAAXHJL-UHFFFAOYSA-N,3,1,0.333,85,580,433.838,3.011,5,0.416,0.68,0.749,0.30866630114454113,0.3427540949900624,0.13132239051470085,0.2778082379549037,0.265137756151052
EOS-3-12637,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)nn1,KMFVBUHVTQDYCV-UHFFFAOYSA-N,3,1,0.389,68,900,417.311,1.068,4,0.503,0.68,0.984,0.6087314097731479,0.37159036392296624,0.28413919539442123,0.13320711397436777,0.34941702076622577
EOS-3-12638,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)nn1,CNIXEDPJYRTCGI-UHFFFAOYSA-N,3,1,0.439,87,838,431.847,2.708,5,0.4,0.68,1.0,0.555136728120074,0.6691453635802892,0.21218559385922828,0.26608868480570214,0.4256390925913234
EOS-3-12639,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)ccnc5F)cn4)n23)c(F)c1,AKGMKQMLXKYBGZ-UHFFFAOYSA-N,3,1,0.355,96,139,457.444,3.862,5,0.412,0.76,0.994,0.24751559180316635,0.3034918785552738,0.7138989788225618,0.6190888218764992,0.4709988177643753
EOS-3-12640,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(F)c1,NURKUNVRJAQHFA-UHFFFAOYSA-N,3,1,0.547,37,161,434.41,2.882,5,0.405,0.68,1.0,0.712579672400795,0.6210249468850662,0.542937427181139,0.5205691864848194,0.5992778082379548
EOS-3-12641,CC1COCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)nn1,JWOSJMDUWNKWHV-UHFFFAOYSA-N,3,1,0.396,78,546,453.865,2.902,5,0.47,0.62,0.996,0.19252450140497568,0.2472585840586663,0.07292166403947639,0.23625008566924816,0.18723870879309162
EOS-3-12642,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4Cl)n23)ccc1F,TVDUUNDEBMNSKQ-UHFFFAOYSA-N,3,1,0.5,4,820,447.861,4.323,5,0.396,0.81,1.0,0.7156980330340621,0.8005791241176068,0.7193047083818792,0.7216863134809129,0.7393170447536153
EOS-3-12643,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cnc(F)cn5)n34)c2)nc1,PRWINPBKOAFNSH-UHFFFAOYSA-N,3,1,0.417,18,949,433.382,2.333,5,0.398,0.67,1.0,0.6704304023027894,0.5536803509012405,0.24399458570351587,0.2508823932561168,0.42974693304091566
EOS-3-12644,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)n1C,LQDVRVHFSBCZPJ-UHFFFAOYSA-N,3,1,0.482,15,482,446.902,3.565,5,0.393,0.73,1.0,0.5371376190802549,0.5536889178260571,0.20854465081214446,0.21602357617709547,0.378848690973888
EOS-3-12645,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccn(-c5ccc(F)c(F)c5F)n4)n23)cc1,TZSZEPZQIINTLE-UHFFFAOYSA-N,3,1,0.43,14,358,463.423,3.278,5,0.389,0.71,1.0,0.16985641834007265,0.26238777328490165,0.6906140771708588,0.6624545952984716,0.4463282160235762
EOS-3-12646,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc[nH]5)c(F)c4)n23)cn1,VPYJONRLNIEQBC-UHFFFAOYSA-N,3,1,0.337,82,204,414.404,2.742,5,0.467,0.83,1.0,0.29307449797820573,0.26760503049825235,0.39137996024946886,0.34280549653896236,0.3237162463162223
EOS-3-12647,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)cn1,UVZAQZXRPQQYEZ-UHFFFAOYSA-N,3,1,0.449,92,463,440.427,1.372,5,0.411,0.67,1.0,0.43853231444040847,0.22164347885682956,0.06446610924542526,0.028313686519087108,0.1882388972654376
EOS-3-12648,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccc(Cl)nc4)n23)cc1,BPXJUFAICGCJAE-UHFFFAOYSA-N,3,1,0.511,89,230,457.881,3.58,5,0.387,0.73,1.0,0.7695068878075526,0.5124134740593517,0.5565674045644575,0.4878092659858817,0.5815742581043108
EOS-3-12649,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)c1,WPWKFPHWSMLQMX-UHFFFAOYSA-N,3,1,0.364,93,228,448.465,4.455,6,0.396,0.8,1.0,0.23097285998218078,0.3136008498389418,0.6283839353025837,0.7190562675621959,0.47300347817147553
EOS-3-12650,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)cn2)n1C,BAECWBJOJBXFSH-UHFFFAOYSA-N,3,1,0.268,76,14,436.443,2.137,6,0.44,0.63,0.775,0.15366493043657048,0.09376499211842917,0.05290932766774039,0.044890686039339316,0.08630748406551984
EOS-3-12651,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)c1,IXHPOYIQEAHAFM-UHFFFAOYSA-N,3,1,0.307,39,144,453.416,3.774,6,0.401,0.71,0.988,0.00918374340346789,0.1157648550476321,0.5051658556644507,0.6509834829689535,0.32027448427112604
EOS-3-12652,Cc1cc(-c2nnc3cncc(Oc4ccc(-c5cc(F)ccc5F)cn4)n23)ccc1C(N)=O,BNCLBYMYDXTXSQ-UHFFFAOYSA-N,3,1,0.423,57,417,458.428,4.331,5,0.42,0.76,1.0,0.8139263929819752,0.4370074018230416,0.8280960866287438,0.7636385443081352,0.7106671064354739
EOS-3-12653,N#Cc1cc(-c2cccc(F)c2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,XNJUTJKZPDHJKI-UHFFFAOYSA-N,3,1,0.563,11,846,437.438,3.881,5,0.397,0.73,1.0,0.8114248509355082,0.8724556233294497,0.7883198547049551,0.7989599753272565,0.8177900760742924
EOS-3-12654,Cc1cc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncs5)c4)n23)ccc1C(N)=O,KXNWTCYFRZQMRR-UHFFFAOYSA-N,3,1,0.419,14,319,460.95,4.566,5,0.414,0.79,1.0,0.23662703036118155,0.24216983071756562,0.6283925022274005,0.6099993146460146,0.42929716948804064
EOS-3-12655,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(Oc4cc(F)cc(C#N)c4)n23)cn1,ICSBJUPWOMNDQE-UHFFFAOYSA-N,3,1,0.44,13,374,430.378,3.529,5,0.429,0.75,1.0,0.728154341717497,0.6888321568089918,0.7474384894798163,0.735196353916798,0.7249053354807757
EOS-3-12656,Cc1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(CO)cn5)n34)c2)n1C,OFKYQWIOFTZFIG-UHFFFAOYSA-N,3,1,0.436,33,168,428.456,2.362,5,0.438,0.71,0.996,0.3112877801384415,0.1516088684805702,0.2653604961962854,0.15212288396957027,0.22009500719621683
EOS-3-12657,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncs5)nn4)n23)cn1,VJKPQUPURHHJOV-UHFFFAOYSA-N,3,1,0.456,92,205,445.468,2.038,5,0.417,0.69,1.0,0.40226852169145366,0.2623963402097183,0.05485401960112398,0.02456137344938661,0.18602006373792063
EOS-3-12658,c1ccc(-c2cncnc2-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)cc1,ZXAWOHDKDBVDRT-UHFFFAOYSA-N,3,1,0.304,94,809,443.474,3.691,6,0.397,0.72,0.999,0.12322664656294977,0.07394969501747653,0.36511376876156537,0.4097731478308546,0.24301581454321158
EOS-3-12659,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cc1Cl,XUHGBYIZBPOIRA-UHFFFAOYSA-N,3,1,0.365,22,681,442.792,4.164,5,0.415,0.72,0.038,0.10724076485504763,0.42333458981563976,0.879643273250634,0.8974539099444864,0.5769181344664519
EOS-3-12660,Cc1ccc(-c2nc(C)n(C)c2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nn1,JGGBCBQCRMIJEF-UHFFFAOYSA-N,3,1,0.315,52,295,465.521,3.158,6,0.424,0.74,0.927,0.14788225618531972,0.08094887259269412,0.023096429305736414,0.026360427660886847,0.06957199643615929
EOS-3-12661,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)n1,JHGURYXCJJZSDS-UHFFFAOYSA-N,3,1,0.588,36,258,419.836,2.609,5,0.427,0.77,1.0,0.5064337605373175,0.7542149270098005,0.21539819066547872,0.2806781577684874,0.43918125899527105
EOS-3-12662,Cn1c(-c2cccc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,ILHLTOUEIKXGOR-UHFFFAOYSA-N,3,1,0.416,3,474,439.414,3.443,6,0.411,0.69,1.0,0.172477897333973,0.33267939140566105,0.24750702487834966,0.342814063463779,0.27386959427044066
EOS-3-12663,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)nc1,CMUGGNVQDLAXRQ-UHFFFAOYSA-N,3,1,0.31,42,170,429.447,3.767,6,0.417,0.73,1.0,0.09964190254266328,0.12248132410389967,0.47076965252552944,0.45094578849976014,0.28595966691796315
EOS-3-12664,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)nc1,SBPGAFXUNGGLIE-UHFFFAOYSA-N,3,1,0.297,64,114,429.447,3.767,6,0.417,0.73,0.999,0.07640840243986019,0.08095743951751079,0.2547289424988006,0.3081951202796244,0.180072476183949
EOS-3-12665,Cn1ncc(-c2nccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)n2)n1,LUXUSXCKIXSPQM-UHFFFAOYSA-N,3,1,0.229,86,953,434.427,1.896,6,0.404,0.66,0.601,0.07863580289219382,0.01309882804468508,0.024955451990953326,0.027379891714070317,0.03601749366047564
EOS-3-12666,Fc1ccc(-c2ccc(-c3nnc4cncc(COc5ccnc(Cl)n5)n34)nc2)nc1,RRZOZYODCSEZDH-UHFFFAOYSA-N,3,1,0.375,46,920,434.822,3.41,5,0.387,0.72,1.0,0.5717565622644095,0.5926512918922624,0.49466280583921596,0.5039322184908506,0.5407507196216845
EOS-3-12667,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)ncc1-c1cncnc1,HBHKVARROVVCTH-UHFFFAOYSA-N,3,1,0.299,94,171,447.437,3.906,6,0.4,0.7,0.998,0.2633644027140018,0.3281303543280104,0.7087331231581112,0.7216948804057296,0.5054806901514632
EOS-3-12669,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cn2)nc1,NYHOIGFOTMXBEJ-UHFFFAOYSA-N,3,1,0.312,76,557,430.435,3.162,6,0.415,0.68,1.0,0.12323521348776643,0.12610513330135015,0.14048043314371872,0.14710266602700295,0.13423086148995955
EOS-3-12670,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cc2)nc1,VWDPDYLMOATSAR-UHFFFAOYSA-N,3,1,0.308,38,608,430.435,3.162,6,0.415,0.68,1.0,0.1122010143238983,0.08444417791789459,0.32428380508532656,0.3204972243163594,0.2103565554108697
EOS-3-12671,Clc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)n1,SBOMSMADJZXLPM-UHFFFAOYSA-N,3,1,0.495,75,496,430.859,3.313,5,0.404,0.71,1.0,0.6577427866493044,0.7497172914810499,0.3206257281886094,0.3719416078404496,0.5250068535398533
EOS-3-12672,Cc1ccnc(-c2cncc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)n2)n1,QLUWPXNLZMRIFI-UHFFFAOYSA-N,3,1,0.494,89,156,421.424,2.797,5,0.421,0.72,1.0,0.6855167569049414,0.6691539305051059,0.29490781988897263,0.2660972517305188,0.47891893975738464
EOS-3-12673,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncnc4)n23)c(Cl)c1,LBGRMAYVWAFQFB-UHFFFAOYSA-N,3,1,0.573,37,361,433.863,2.652,5,0.402,0.68,1.0,0.6283839353025837,0.6837776711671578,0.24400315262833253,0.2778168048797204,0.4584953909944487
EOS-3-12675,Clc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Br)c4)n23)cn1,BGCASYHCGKPMJB-UHFFFAOYSA-N,3,1,0.425,23,225,435.112,4.846,4,0.432,0.78,1.0,0.3733722842848331,0.572390514700843,0.927840792269207,0.9649698444246453,0.7096433589198821
EOS-3-12676,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cc(F)cc(F)c5)cc4)n23)nc1,UCPIAYXJTSWDLS-UHFFFAOYSA-N,3,1,0.364,25,219,468.431,3.384,6,0.387,0.72,1.0,0.20625728188609416,0.34276266191487903,0.4242084161469399,0.547220889589473,0.3801123123843465
EOS-3-12677,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(Cl)ncn5)cn4)n23)cc1,VAPXMCLFERZQSP-UHFFFAOYSA-N,3,1,0.517,89,675,429.871,4.184,5,0.387,0.78,1.0,0.70040607223631,0.745433829072716,0.6466657528613529,0.6100078815708313,0.6756283839353026
EOS-3-12678,COc1nc(C(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NCCC#N)c(C)c3)n12,FIZHUICXEVGPBT-UHFFFAOYSA-N,3,1,0.312,0,688,463.448,3.751,4,0.415,0.72,1.0,0.3290127475841272,0.20669419505174422,0.5825166198341444,0.37514563772188336,0.3733423000479748
EOS-3-12679,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(F)c5)c4)n23)cn1,OROVGAMLDVEOPG-UHFFFAOYSA-N,3,1,0.414,97,430,456.441,2.721,5,0.387,0.72,1.0,0.6032400109656638,0.432381262422041,0.3988674525392365,0.2806867246933041,0.4287938626550613
EOS-3-12680,Cc1nc(-c2cccc(F)c2Cl)c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)o1,XGGBPQBAJMANMB-UHFFFAOYSA-N,3,1,0.417,62,3,448.845,4.313,5,0.438,0.76,0.989,0.2957559454458228,0.41435645260777193,0.6522428209170036,0.648053594681653,0.5026022034130628
EOS-3-12681,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5cncnc5)n4)n23)cc1,AKOOXXYSAQNBAR-UHFFFAOYSA-N,3,1,0.286,98,42,433.439,2.501,6,0.412,0.66,1.0,0.11522513878418203,0.06668494277294222,0.13426941265163456,0.13761051333013502,0.11344750188472345
EOS-3-12682,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)cn1,KRQQKXCDQZNCDF-UHFFFAOYSA-N,3,1,0.29,98,882,433.439,2.501,6,0.412,0.66,1.0,0.10226338153656364,0.04758926735658968,0.17495373860599,0.18459152902474127,0.12734947913097114
EOS-3-12683,Cn1ncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1-c1ccccn1,ITXLHPXMYZCVSV-UHFFFAOYSA-N,3,1,0.433,33,53,467.493,2.453,6,0.387,0.74,1.0,0.14496950174765266,0.06669350969775889,0.03293982592008773,0.03629806044822151,0.0702252244534302
EOS-3-12684,CC(C)(O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nn1,PNQTZNPUWDFBGE-UHFFFAOYSA-N,3,1,0.326,63,66,416.445,1.763,5,0.503,0.83,0.999,0.14497806867246932,0.1364454115550682,0.05291789459255706,0.029196079775203894,0.09088436364882461
EOS-3-12685,Cc1csc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)nc2)n1,VURPYCZQMVOGAZ-UHFFFAOYSA-N,3,1,0.447,1,412,430.449,4.109,5,0.443,0.77,1.0,0.3872078678637516,0.12248989102871634,0.3093773559043246,0.1603128640943047,0.2448469947227743
EOS-3-12686,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cn2)nc1,PNAQLWQOYUKDKZ-UHFFFAOYSA-N,3,1,0.286,86,812,431.423,2.557,6,0.41,0.68,1.0,0.14789082311013638,0.09377355904324583,0.17496230553080666,0.18190151463230758,0.1496320505791241
EOS-3-12687,CCn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C)nc5)n34)cn2)c(C)n1,JABNCXUGNPTELY-UHFFFAOYSA-N,3,1,0.462,92,986,427.472,3.056,5,0.407,0.75,1.0,0.29029881433760535,0.2021280241244603,0.08647453909944486,0.04234630936878898,0.15531192173257488
EOS-3-12688,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(F)c2)n1,IAOYTSHNKCNTHR-UHFFFAOYSA-N,3,1,0.484,89,451,443.442,3.531,5,0.445,0.64,1.0,0.6671664039476389,0.4278065245699404,0.5089353025837845,0.3656277842505654,0.4923840038379823
EOS-3-12689,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cn2)nc1,ZOXNNKYXYJJLAL-UHFFFAOYSA-N,3,1,0.616,84,166,431.406,3.543,5,0.406,0.72,1.0,0.9302994996915908,0.9195480090466726,0.6107789048043314,0.6190973888013159,0.7699309505859777
EOS-3-12690,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nc2)n1,OFTXNQVUNOWRCF-UHFFFAOYSA-N,3,1,0.303,70,723,433.435,3.669,6,0.41,0.72,1.0,0.17520217942567337,0.122498457953533,0.2440117195531492,0.23336303200603112,0.1937688472345967
EOS-3-12691,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)c(F)c1,PQNMLYPKKKFNLX-UHFFFAOYSA-N,3,1,0.321,64,27,468.431,3.384,6,0.387,0.75,1.0,0.2172657802755123,0.32349564800219316,0.38419231032828455,0.5141354259475018,0.35977229113837295
EOS-3-12692,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4F)n23)cn1,XYNKBBRBXUWKEJ-UHFFFAOYSA-N,3,1,0.313,98,369,452.457,3.188,6,0.405,0.69,1.0,0.21727434720032898,0.262404907134535,0.3057878144061408,0.29878863683092316,0.271063926392982
EOS-3-12693,Cn1cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)n2)cn1,JWIDQJFEPACODR-UHFFFAOYSA-N,3,1,0.275,99,286,424.432,1.568,6,0.418,0.68,0.997,0.014409567541635254,0.011111301487218148,0.03828558700568844,0.028322253443903777,0.023032177369611405
EOS-3-12694,Cn1cc(-n2cc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)cn2)cn1,ZWTUVGOAMGMHBF-UHFFFAOYSA-N,3,1,0.329,10,151,427.403,3.172,6,0.425,0.72,1.0,0.01787060516756905,0.0937821259680625,0.38041429648413405,0.4097817147556713,0.22546218559385922
EOS-3-12695,COc1ncc(-c2cncc3nnc(-c4ccc(-c5cc(CCO)ccn5)cc4)n23)cn1,YQDZUDFROMSTGC-UHFFFAOYSA-N,3,1,0.312,82,478,425.452,2.854,5,0.442,0.75,1.0,0.3686947433349325,0.2216520457816462,0.42421698307175654,0.3082036872044411,0.33069186484819413
EOS-3-12696,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccn4)n23)cc1F,LBRPVNVMKKLAMU-UHFFFAOYSA-N,3,1,0.49,4,788,474.431,2.86,5,0.399,0.75,0.999,0.5551452950448907,0.39052326776780205,0.5628383935302583,0.4380097320265917,0.4866291720923857
EOS-3-12697,Cn1nncc1-c1nccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)n1,MXRBXXRKCVPUFL-UHFFFAOYSA-N,3,1,0.289,38,608,433.439,2.501,6,0.412,0.67,1.0,0.047692070454389696,0.04759783428140635,0.08418717017339455,0.08985847440202865,0.06733388732780482
EOS-3-12698,O=C(NCCF)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ccnnc5)c4)n23)cc1F,VMIUSNJAAUYWGW-UHFFFAOYSA-N,3,1,0.385,14,319,471.471,3.678,5,0.389,0.78,1.0,0.30088753341100677,0.2216606127064629,0.6227126310739497,0.5887019395517785,0.4334906791857995
EOS-3-12700,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)nc1,GIEKCBUAIMDUHH-UHFFFAOYSA-N,3,1,0.325,94,136,448.425,3.301,6,0.4,0.68,0.907,0.3264512370639435,0.38119388664245085,0.21885066136659584,0.2956360084983894,0.3055329483928449
EOS-3-12701,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)cnn4)n23)cc1,IBMYFMNWCGNTBM-UHFFFAOYSA-N,3,1,0.442,89,926,455.482,2.229,5,0.413,0.68,1.0,0.35954526763073125,0.16319991775752177,0.14959564114865329,0.055642176684257416,0.18199575080529093
EOS-3-12702,Cc1ncc(-c2ncc(-c3nnc4cncc(-c5ccc(C(=O)O)cc5)n34)cn2)n1C,VNZSYKZQNRFQRT-UHFFFAOYSA-N,3,1,0.333,82,489,412.413,2.655,5,0.478,0.84,1.0,0.12888081694195053,0.004994517168117333,0.1283839353025838,0.06809848536769242,0.08258943869508602
EOS-3-12703,O=C(O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(C(F)F)nc4)n23)cc1,ULCXFWXDNPKTSN-UHFFFAOYSA-N,3,1,0.363,96,121,444.401,4.551,5,0.424,0.78,0.994,0.247524158727983,0.12250702487834966,0.8281046535535604,0.708193406894661,0.47658231101363857
EOS-3-12704,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)cnc4OC)n23)cc1F,MYVRFGHBHJIYGR-UHFFFAOYSA-N,3,1,0.348,74,274,474.431,2.957,5,0.413,0.74,1.0,0.46164587759577824,0.3812024535672675,0.5260777191419368,0.3845521211705846,0.4383695428688918
EOS-3-12705,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)cn5)n34)cn2)cn1,YIMKRNUBUHZNDR-UHFFFAOYSA-N,3,1,0.333,64,72,447.437,3.906,6,0.4,0.71,0.999,0.21181721609211157,0.3188181070522925,0.4460283736549928,0.4908933589198821,0.36688926392981974
EOS-3-12706,O=C(O)c1ccc(-c2nnc3cncc(-c4cc(F)nc(-c5cnc(F)cn5)c4)n23)cn1,HZBKVQKKCTWEAB-UHFFFAOYSA-N,3,1,0.3,50,155,432.35,2.682,5,0.426,0.67,0.689,0.25274998286615036,0.2067027619765609,0.4312846960455075,0.37195017476526626,0.31567190391337124
EOS-3-12707,OCc1cc(COc2cncc3nnc(-c4cncc(-c5ccc(F)nn5)c4)n23)ccn1,ZWPGPQDLZIKYPY-UHFFFAOYSA-N,3,1,0.423,2,875,430.403,2.249,5,0.432,0.71,1.0,0.4889572339113152,0.44560002741415944,0.5016791172640669,0.42252073195805634,0.4646892776368995
EOS-3-12708,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4cccnc4-c4ccncc4)n23)nc1,LXSNRQDDZVDVOA-UHFFFAOYSA-N,3,1,0.295,70,935,430.435,3.162,6,0.415,0.69,0.902,0.08742546775409499,0.030900897813720785,0.1404890000685354,0.20999246110616132,0.11720195668562812
EOS-3-12709,c1cnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ncccn6)c5)n34)cc2)nc1,DPQURKDCSIGXMR-UHFFFAOYSA-N,3,1,0.314,42,608,430.435,3.162,6,0.415,0.69,1.0,0.12888938386676718,0.13645397847988486,0.23341443355493113,0.24216126379274897,0.18522976492358303
EOS-3-12710,CCc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)c1,RFVQFWHSGQDMBC-UHFFFAOYSA-N,3,1,0.477,65,658,424.468,3.222,5,0.392,0.77,1.0,0.4713693372626962,0.3764735110684669,0.25113083407580017,0.18994585703515865,0.3222298848605305
EOS-3-12711,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cc2)n1,SLENRHROUFQDHE-UHFFFAOYSA-N,3,1,0.325,25,508,465.456,2.948,6,0.386,0.7,1.0,0.1867161263792749,0.3035004454800905,0.21885922829141252,0.2569734768007676,0.2415123192378864
EOS-3-12712,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccc(C(F)(F)F)n5)c4)n23)cc1,MJQKVRFAXOROGA-UHFFFAOYSA-N,3,1,0.353,62,139,475.434,4.294,5,0.416,0.81,1.0,0.3915769995202522,0.33769960934822835,0.9218011102734562,0.7945223082722226,0.6114000068535399
EOS-3-12713,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnccn6)ncn5)n34)cc2)nn1,QEAALFBIHGFWEF-UHFFFAOYSA-N,3,1,0.303,38,193,444.462,3.471,6,0.402,0.7,1.0,0.11220958124871497,0.08096600644232746,0.2986772668083065,0.27473271194571997,0.19164639161126723
EOS-3-12714,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,YVLGFEVRVPUOMP-UHFFFAOYSA-N,3,1,0.32,86,790,432.451,3.106,6,0.418,0.66,1.0,0.13180213830443424,0.07034301966965938,0.2296364197107806,0.21316222328832843,0.16123595024330067
EOS-3-12715,COc1cc(Cl)ccc1-c1cncc2nnc(-c3cncnc3-c3ccc(F)nc3)n12,OYAZNFNQTKNYJT-UHFFFAOYSA-N,3,1,0.353,96,478,433.834,4.111,5,0.394,0.78,0.936,0.48394558289356454,0.5632324720718251,0.7586611609896512,0.7712202727708861,0.6442648721814818
EOS-3-12716,Cc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ccn4)n23)cn1,KVOIYZOKSONORE-UHFFFAOYSA-N,3,1,0.404,18,88,445.874,3.017,5,0.388,0.69,0.718,0.4988862997738332,0.5036752107463505,0.16831437187307244,0.18191008155712426,0.3381964909875951
EOS-3-12717,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)nn2)nn1,GMLGIDUGIJVYNQ-UHFFFAOYSA-N,3,1,0.282,99,14,436.443,1.839,6,0.406,0.69,1.0,0.037403193749571656,0.040427318209855394,0.060508189980124735,0.055650743609074085,0.04849736138715646
EOS-3-12718,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)cc1,CHCLLIILRHASPE-UHFFFAOYSA-N,3,1,0.376,61,648,413.416,3.097,5,0.488,0.79,1.0,0.2034301966965938,0.17999109039819067,0.6227211979987664,0.5634894798163251,0.39240799122746894
EOS-3-12719,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(F)c(Br)cc4F)n23)cc1,XNOWPRHDSZELJA-UHFFFAOYSA-N,3,1,0.333,61,917,469.253,3.69,5,0.375,0.8,1.0,0.3140034953053252,0.4764323898293469,0.6878041258309917,0.7636471112329518,0.5604717805496539
EOS-3-12720,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)nc1,JUZDTFXQLCYNGW-UHFFFAOYSA-N,3,1,0.356,52,776,467.92,4.461,6,0.409,0.8,0.999,0.18672469330409155,0.26241347405935167,0.3541138372969639,0.5141439928723186,0.3293489993831814
EOS-3-12721,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)n5)n34)cc2)n1,CMHRMLGQRIIAGE-UHFFFAOYSA-N,3,1,0.295,98,865,447.466,2.809,6,0.401,0.67,1.0,0.08289356452607773,0.030909464738537454,0.08157425810431088,0.08453841409087794,0.069978925364951
EOS-3-12722,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cn1,ZWPGSWKSVOXREU-UHFFFAOYSA-N,3,1,0.308,42,725,421.424,3.304,6,0.426,0.75,1.0,0.14789939003495306,0.06670207662257556,0.2726595161400864,0.2688643684463025,0.18903133781097936
EOS-3-12723,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4nncn4C)n23)ccc1F,YFJKWFFXXQIDDE-UHFFFAOYSA-N,3,1,0.478,26,125,433.451,2.564,5,0.389,0.73,1.0,0.4791138372969639,0.42781509149475705,0.1313309574395175,0.13528030978000138,0.29338504900280993
EOS-3-12725,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)cn1,DSEBDCFDXREKGG-UHFFFAOYSA-N,3,1,0.255,94,342,446.478,3.589,6,0.395,0.76,0.942,0.1152337057089987,0.023404838599136453,0.0934651497498458,0.139932149955452,0.09300896100335823
EOS-3-12726,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(C(F)F)nn5)n34)nc2)CC1,JBMFUOCEUNYQHT-UHFFFAOYSA-N,3,1,0.365,63,505,436.426,2.787,5,0.495,0.6,0.997,0.11524227263381537,0.13289013775615105,0.09831402919607977,0.14459255705571927,0.12275974916044137
EOS-3-12727,FCc1cc(-c2nnc3cncc(OCCc4cnc(C(F)F)cn4)n23)ccc1Cl,JNAWPEFHCXFSAH-UHFFFAOYSA-N,3,1,0.562,68,127,434.809,4.263,4,0.432,0.7,0.969,0.8989102871633199,0.9590500993763279,0.8834555547940511,0.8614042903159482,0.9007050579124118
EOS-3-12728,CCCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnnn5C)ccc4OC)n23)nc1,ORDFSJPLSWWSKF-UHFFFAOYSA-N,3,1,0.263,33,523,469.509,2.797,5,0.386,0.74,0.99,0.02080049345486944,0.007907271605784388,0.09579535329997944,0.03981049962305531,0.04107840449592214
EOS-3-12729,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccn4)n23)cc1,VAVVXNVMWCCMJM-UHFFFAOYSA-N,3,1,0.3,25,213,432.451,3.106,6,0.418,0.68,1.0,0.1022719484613803,0.07741073264341032,0.13749057638270168,0.18716160646974161,0.12608371598930848
EOS-3-12730,Cc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5cc(F)cc(F)c5)c4)n23)cn1,YLKZTHTUWIAITJ-UHFFFAOYSA-N,3,1,0.541,75,496,445.433,3.851,5,0.392,0.74,1.0,0.72519018573093,0.6888407237338086,0.6284010691522172,0.6160047289424988,0.6646091768898637
EOS-3-12731,Cc1ncc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)nn1,VREKVXVIWLFXNR-UHFFFAOYSA-N,3,1,0.598,13,15,433.834,4.537,5,0.411,0.77,1.0,0.8342300047974779,0.8242238366116099,0.7612141045850181,0.7899047357960387,0.8023931704475362
EOS-3-12732,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4F)n23)cn1,HYNBVTUGXWHVLG-UHFFFAOYSA-N,3,1,0.317,98,765,453.445,2.583,6,0.4,0.67,1.0,0.20073161537934342,0.2936399150161058,0.187641354259475,0.210001028030978,0.22300347817147556
EOS-3-12733,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)c(F)c5)n34)cn2)n1,IPIRBMJUANEXNM-UHFFFAOYSA-N,3,1,0.318,98,219,453.445,2.583,6,0.4,0.67,1.0,0.17248646425878966,0.22707490919059695,0.22598690973888014,0.24216983071756562,0.21692952847645808
EOS-3-12734,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncncc5F)n34)ccc2F)cn1,KESDGQGYHAXZLP-UHFFFAOYSA-N,3,1,0.461,51,716,432.394,3.204,5,0.417,0.71,1.0,0.8509012404907135,0.7753837982317867,0.6341837434034678,0.585617846617778,0.7115216571859365
EOS-3-12735,Cc1cc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)c(F)c4)n23)cc(F)c1CO,FZQGLXPLZMTLPA-UHFFFAOYSA-N,3,1,0.317,96,648,432.434,3.938,5,0.465,0.68,1.0,0.2738160509903365,0.3715989308477829,0.9187512850387225,0.8905661023918854,0.6136830923171819
EOS-3-12736,Cc1nccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)nc2)n1,XEDLOZZRZNSQNJ-UHFFFAOYSA-N,3,1,0.338,32,321,443.474,4.076,6,0.401,0.74,1.0,0.14790795695976972,0.10665821396751422,0.29491638681378934,0.28652080049345485,0.20900083955863205
EOS-3-12737,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c(F)c1,OYRGREPMNNTHEI-UHFFFAOYSA-N,3,1,0.373,9,642,449.453,3.85,6,0.403,0.7,1.0,0.252758549790967,0.32813892125282706,0.5124905763827017,0.5141525597971353,0.4018851518059077
EOS-3-12738,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,SOTUBQZHOQMVEK-UHFFFAOYSA-N,3,1,0.455,13,252,422.811,3.567,5,0.437,0.76,1.0,0.5500993763278733,0.7925347817147557,0.5226509492152697,0.5977486121581796,0.6157584298540195
EOS-3-12739,O=C(NC1COC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccs5)n4)n23)cc1F,WWDBXIGODJNHAL-UHFFFAOYSA-N,3,1,0.324,74,423,472.505,3.85,6,0.418,0.77,1.0,0.28756596532108836,0.28824275238160507,0.4425502021794257,0.4414879035021589,0.36496170584606946
EOS-3-12740,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5nncs5)s4)n23)cc1,SJEURWUYETVMGV-UHFFFAOYSA-N,3,1,0.527,89,731,453.484,3.188,5,0.419,0.71,0.909,0.5526951545473237,0.4048985676101707,0.20508361318621068,0.17068741004728943,0.3333411863477486
EOS-3-12741,Fc1cc(OCc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)ccc1Cl,BKGYLUSKAGVOGH-UHFFFAOYSA-N,3,1,0.473,14,189,432.846,4.62,5,0.403,0.81,1.0,0.6765814543211569,0.7035329997943938,0.8479028168048797,0.8561870331025975,0.771051076005757
EOS-3-12742,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,BXTQUWOGVAGRHP-UHFFFAOYSA-N,3,1,0.448,46,157,433.834,4.015,5,0.386,0.75,1.0,0.7399852648893154,0.6446353916798027,0.7883284216297718,0.7922006716469057,0.7412874374614489
EOS-3-12743,c1cnnc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)o2)c1,DZIUWFFXFJDCRZ-UHFFFAOYSA-N,3,1,0.477,71,117,440.383,2.26,6,0.373,0.71,1.0,0.4408882187649921,0.2882513193064218,0.05486258652594065,0.054134397916523885,0.2095341306284696
EOS-3-12744,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccnc5)n4)n23)cc1,JYTAIHZZSPOAED-UHFFFAOYSA-N,3,1,0.282,8,890,421.428,2.23,6,0.425,0.69,1.0,0.019772462476869302,0.023413405523953122,0.09347371667466246,0.10613563155369748,0.060698804057295594
EOS-3-12745,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1,UTAIFPNOGNFRNH-UHFFFAOYSA-N,3,1,0.313,39,543,449.413,2.696,6,0.395,0.66,0.99,0.18393187581385786,0.28296552669453773,0.26185662394626824,0.362389486669865,0.2727858782811322
EOS-3-12746,COc1cc(F)ccc1-c1nnc2cncc(Oc3ccc(-c4ccc(Cl)nn4)nn3)n12,HFAABQDIRNJYML-UHFFFAOYSA-N,3,1,0.429,72,706,450.821,3.632,5,0.396,0.74,1.0,0.8165136042766089,0.7624734425330684,0.5161486532794188,0.4970529778630663,0.6480471694880405
EOS-3-12747,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2)c1,OEIGFZALJTYPCG-UHFFFAOYSA-N,3,1,0.37,93,834,434.438,4.445,6,0.44,0.75,1.0,0.24198135837159893,0.40490713453498733,0.7193132753066959,0.7636556781577685,0.5324643615927627
EOS-3-12748,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cn2)c1F,OIPMBRSJSQIMLH-UHFFFAOYSA-N,3,1,0.278,86,151,455.392,2.564,6,0.394,0.65,1.0,0.0063052566650675075,0.10327427866493044,0.45333596052361047,0.5205777534096361,0.27087331231581113
EOS-3-12749,Clc1ccc(CCOc2cncc3nnc(-c4cnc(-c5cscn5)nc4)n23)cc1,MDLHSDXKMWAOIL-UHFFFAOYSA-N,3,1,0.68,84,166,435.9,3.98,5,0.398,0.76,1.0,0.7838393530258378,0.8314029196079775,0.365122335686382,0.4380182989514084,0.6045957268179014
EOS-3-12750,Cn1cnnc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c(F)c1,OGDNHLQFQYPLCU-UHFFFAOYSA-N,3,1,0.34,99,502,456.405,2.093,6,0.408,0.7,1.0,0.4839541498183812,0.5444537728736892,0.10608423000479748,0.0958296209992461,0.3075804434240285
EOS-3-12751,N#Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)ccn1,VNUTYMRUEQEZAE-UHFFFAOYSA-N,3,1,0.476,18,840,420.436,3.136,5,0.411,0.77,1.0,0.6885066136659584,0.5080786101021177,0.5596086628743746,0.5003426769926667,0.5641341409087794
EOS-3-12752,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cn2)ccn1,VGNJSNFCWRVUPZ-UHFFFAOYSA-N,3,1,0.291,10,871,435.426,3.635,6,0.39,0.72,0.327,0.017879172092385716,0.14399287231855254,0.41653245151120555,0.4729884860530464,0.26284824549379754
EOS-3-12753,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4F)n23)cc1,GBJNNUVUBKLYIH-UHFFFAOYSA-N,3,1,0.556,43,520,444.405,3.316,5,0.409,0.7,1.0,0.8883901034884518,0.7711774381468028,0.8317969981495442,0.7807809608662875,0.8180363751627716
EOS-3-12754,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(Cl)c5)n4)n23)cc1,DOEFGAXVZWEFFW-UHFFFAOYSA-N,3,1,0.511,1,347,470.92,4.445,5,0.394,0.83,1.0,0.6943492563909259,0.5588290727160579,0.6406689054896855,0.582679391405661,0.6191316565005826
EOS-3-12755,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cc5)n34)cc2)c1,DZFMOBMIEGKYAF-UHFFFAOYSA-N,3,1,0.5,77,933,449.478,3.352,6,0.384,0.77,1.0,0.39385580152148586,0.2318466863134809,0.49137310670961554,0.3969998629292029,0.3785188643684463
EOS-3-12756,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)cc1,LKYYLHUDHNTCIN-UHFFFAOYSA-N,3,1,0.342,98,725,450.441,3.245,6,0.402,0.68,1.0,0.18394044273867452,0.2624220409841683,0.37285826879583306,0.36871187718456583,0.29698315742581044
EOS-3-12757,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)cc1,XDSUXLNKIZOPHO-UHFFFAOYSA-N,3,1,0.512,4,320,427.403,2.572,5,0.42,0.7,1.0,0.6143427455280652,0.5829792337742444,0.435216914536358,0.3719587416900829,0.5011244088821876
EOS-3-12758,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cc2)n1,OKAFHTGRKKYDEJ-UHFFFAOYSA-N,3,1,0.338,9,98,431.463,3.711,6,0.419,0.73,1.0,0.12591666095538345,0.07741929956822699,0.4024227263381537,0.4380268658762251,0.26094638818449734
EOS-3-12759,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nc2)n1C,QLTSVAGSBWFKAA-UHFFFAOYSA-N,3,1,0.33,94,515,445.49,4.019,6,0.404,0.75,1.0,0.144986635597286,0.07742786649304366,0.2296449866355973,0.23625865259406484,0.17207953532999795
EOS-3-12760,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cn5)n34)nc2)ccn1,MTQHRVRQVGQTDA-UHFFFAOYSA-N,3,1,0.277,70,392,445.49,4.019,6,0.404,0.75,0.998,0.08743403467891166,0.043914056610239185,0.3651309026111987,0.31447467617024194,0.20273841751764787
EOS-3-12761,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5ccnc(F)c5)c4)n23)cc1,VYFJVBIFFZGUHS-UHFFFAOYSA-N,3,1,0.495,97,91,473.443,3.465,5,0.376,0.81,1.0,0.8393787266122953,0.42334315674045647,0.7565022959358508,0.6160132958673155,0.6588093687889796
EOS-3-12762,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)nc1,NJYSVIKVNXTERV-UHFFFAOYSA-N,3,1,0.321,98,193,466.896,3.759,6,0.386,0.77,1.0,0.1839490096634912,0.2270834761154136,0.33530087039956136,0.38795319032280173,0.283571636625317
EOS-3-12763,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)nn2)cc1F,ZWCJKYOXMJGWJQ-UHFFFAOYSA-N,3,1,0.268,10,872,454.404,3.169,6,0.399,0.68,0.726,0.022890823110136384,0.15933623466520458,0.47750325543143035,0.5667877458707422,0.3066295147693784
EOS-3-12764,Fc1ccc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,NVWNEQJJXFVJRN-UHFFFAOYSA-N,3,1,0.556,24,32,433.834,4.015,5,0.413,0.75,1.0,0.9157528613528888,0.962631073949695,0.5919316702076622,0.6858165992735248,0.7890330511959427
EOS-3-12765,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nn1,GBSHIGCHBDQAHL-UHFFFAOYSA-N,3,1,0.484,15,561,444.886,3.622,5,0.366,0.76,1.0,0.7097011856623946,0.7962442601603729,0.30222397368240694,0.33000651086286065,0.5345439825920087
EOS-3-12766,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)ccn1,DOAGTSKYKGNLES-UHFFFAOYSA-N,3,1,0.271,42,957,431.463,3.711,6,0.419,0.7,1.0,0.05089610033582345,0.009269412651634569,0.36146425878966487,0.35247755465698033,0.1935268316085258
EOS-3-12767,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)ccc1Cl,UORJBBRLJGAXOS-UHFFFAOYSA-N,3,1,0.789,23,86,449.725,4.865,4,0.455,0.79,1.0,0.9734253992186964,0.9827290795695977,0.972251730518813,0.982720512644781,0.977781680487972
EOS-3-12768,Cc1ccc(-c2cc(-c3nnc4cncc(CCc5ccc(Cl)cc5F)n34)ncn2)nn1,HWLFWZFCWRWSTE-UHFFFAOYSA-N,3,1,0.314,44,481,446.877,3.924,5,0.403,0.75,0.745,0.3619011719553149,0.4003323966828867,0.4811784661777808,0.5667963127955589,0.4525520869028853
EOS-3-12769,Cc1c(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cn2)cnn1C,FRAQTDOGCBSWOG-UHFFFAOYSA-N,3,1,0.276,86,780,447.466,2.809,6,0.401,0.68,1.0,0.041935096977588925,0.028133781097937086,0.10084127201699677,0.08618326365567816,0.06427335343705023
EOS-3-12770,Fc1cc(Cl)cnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)nn1,BFWIIXHABPZZFR-UHFFFAOYSA-N,3,1,0.456,54,411,448.849,3.452,5,0.389,0.71,1.0,0.8035261462545404,0.7839507230484545,0.41278870536632173,0.5003512439174834,0.6251542046467
EOS-3-12771,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,YEVLSPWDWOAMKC-UHFFFAOYSA-N,3,1,0.5,72,482,448.849,3.452,5,0.389,0.71,1.0,0.8883986704132685,0.930085326571174,0.4811870331025975,0.5572184908505243,0.7142223802343911
EOS-3-12772,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)ccn2)n1,LGWUPYWFWDKSMT-UHFFFAOYSA-N,3,1,0.53,16,16,432.394,3.204,5,0.417,0.67,1.0,0.7067541635254609,0.5777705434857103,0.5465012679048729,0.5472294565142897,0.5945638578575834
EOS-3-12773,Cc1cccc(COc2cncc3nnc(-c4cc(-c5nnc(C)s5)ccc4F)n23)n1,XLBKDXRHFYBXCC-UHFFFAOYSA-N,3,1,0.489,4,92,433.472,4.04,5,0.413,0.8,1.0,0.5216400520869029,0.6210335138098828,0.30938592282914124,0.27170002056061954,0.43093987732163663
EOS-3-12774,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccccc5-c5cccc(F)c5)n34)cc2)n1,UZRFLJCBFCKDKJ-UHFFFAOYSA-N,3,1,0.375,93,228,448.465,4.455,6,0.396,0.79,1.0,0.26600301555753547,0.337708176273045,0.5919402371324789,0.6739171407031732,0.46739214241655813
EOS-3-12775,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)nn2)o1,VLPXBXQWTXFESF-UHFFFAOYSA-N,3,1,0.268,99,14,438.415,1.797,6,0.396,0.66,0.994,0.057681104790624355,0.034087793845521214,0.01664553491878555,0.01442670139126859,0.030710283736549927
EOS-3-12776,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)nn1,RNONYSYHBHGOBW-UHFFFAOYSA-N,3,1,0.477,51,196,449.837,3.113,5,0.398,0.67,1.0,0.6312281543417175,0.6691624974299225,0.3388475772736618,0.3845606880954013,0.5059497292851758
EOS-3-12777,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)ccc1F,ZSNNQKGROUIEHW-UHFFFAOYSA-N,3,1,0.462,26,911,430.447,3.491,5,0.407,0.73,1.0,0.44782742786649304,0.48960832019738193,0.3988760194640532,0.32050579124117606,0.414204389692276
EOS-3-12778,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)nn5)c4)n23)cc1,KPFRMCBJMWBMLX-UHFFFAOYSA-N,3,1,0.478,89,571,461.873,2.359,5,0.408,0.71,1.0,0.4272411075320403,0.39053183469261876,0.2334230004797478,0.1706959769721061,0.30547297991912825
EOS-3-12779,Cn1nncc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,GFYXUCXSJQWMBW-UHFFFAOYSA-N,3,1,0.312,74,413,473.447,2.819,6,0.417,0.71,1.0,0.18673326022890824,0.21653759166609554,0.2581814131999178,0.35886848057021453,0.255080186416284
EOS-3-12780,NC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(F)cc5)ns4)n23)cn1,XADUYRMBTDVVBX-UHFFFAOYSA-N,3,1,0.494,4,539,448.443,2.522,5,0.419,0.69,1.0,0.4616544445205949,0.49432012884654924,0.1035484202590638,0.1105989993831814,0.29253049825234734
EOS-3-12781,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(F)c(F)c5)c4)n23)cc1,KEQKFCQIPRBNHO-UHFFFAOYSA-N,3,1,0.552,1,951,472.455,4.07,5,0.4,0.8,1.0,0.8809625796724008,0.4943286957713659,0.8479113837296964,0.7558255088753341,0.7447570420121993
EOS-3-12782,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6ccccn6)nc5)n34)cn2)c1,BQWRMIKGBRPAEB-UHFFFAOYSA-N,3,1,0.344,32,20,446.449,4.511,6,0.393,0.77,1.0,0.21182578301692825,0.35741210335138096,0.6016979644986635,0.6565091494757042,0.45686125008566925
EOS-3-12783,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnc5)s4)n23)cc1,PQOKTSCOHXIAKU-UHFFFAOYSA-N,3,1,0.57,4,32,421.873,3.937,5,0.424,0.82,1.0,0.6143513124528819,0.8548505928311974,0.26907854156671923,0.4002038928106367,0.5346210849153588
EOS-3-12784,Cn1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,GENCJAUDLFAVPU-UHFFFAOYSA-N,3,1,0.608,36,258,419.836,2.609,5,0.427,0.76,1.0,0.6732232197930231,0.767048180385169,0.2547375094236173,0.3267853471317936,0.5054485641834007
EOS-3-12785,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)cc1,XRXVRRWEPCIQMB-UHFFFAOYSA-N,3,1,0.495,89,398,470.518,3.176,6,0.385,0.78,1.0,0.19516311424850935,0.11287780138441506,0.11130148721814817,0.12020252210266602,0.13488623123843466
EOS-3-12786,Fc1cc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)cn2)ccn1,BFNTYFVOUJRWGN-UHFFFAOYSA-N,3,1,0.373,42,723,447.437,3.906,6,0.375,0.75,1.0,0.2792731820985539,0.37648207799328354,0.5763998355150435,0.5700346103762594,0.45054742649578505
EOS-3-12787,Cn1ccnc1-c1nnc2cncc(OCc3cncnc3-c3cccc(Cl)c3)n12,KXVXSTCMFJSSHI-UHFFFAOYSA-N,3,1,0.424,16,62,418.848,3.214,5,0.432,0.76,1.0,0.4065862517990542,0.30350901240490713,0.28788294153930505,0.3588770474950312,0.3392138133095744
EOS-3-12788,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)nn1,GQQMMRJKNKFWKU-UHFFFAOYSA-N,3,1,0.506,7,212,449.837,3.113,5,0.398,0.68,1.0,0.5527037214721403,0.6254540470152834,0.40243129326297034,0.4288431224727572,0.5023580460557878
EOS-3-12789,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cc4Cl)n23)cc1,HWXRVXWZYXHXRM-UHFFFAOYSA-N,3,1,0.367,62,3,458.884,4.672,5,0.423,0.78,1.0,0.3140120622301419,0.38576005756973475,0.8430882050579124,0.8281303543280104,0.5927476697964499
EOS-3-12790,CCc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)nn1,HYVMPPLHKFGRMV-UHFFFAOYSA-N,3,1,0.578,36,659,445.874,3.228,5,0.388,0.7,0.834,0.6517716400520869,0.8724641902542664,0.1619405798094716,0.23337159893084777,0.47988700226166814
EOS-3-12791,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)c(F)c1,AUSMPDBNDPOAQK-UHFFFAOYSA-N,3,1,0.418,7,408,457.429,2.116,5,0.407,0.67,1.0,0.5039579192653005,0.4233517236652731,0.32063429511342606,0.21866218902062914,0.36665153176615717
EOS-3-12792,COc1cnc(C)nc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cc1,ZZCYWOUOECPPJF-UHFFFAOYSA-N,3,1,0.33,3,158,462.477,3.208,6,0.38,0.74,0.999,0.06468884929065863,0.08445274484271126,0.10355698718388047,0.09186313480912892,0.08614042903159483
EOS-3-12793,Cn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c1,MYLFMYIMRGRHHB-UHFFFAOYSA-N,3,1,0.473,92,36,428.416,1.055,5,0.418,0.67,1.0,0.3165050373517922,0.12251559180316633,0.07932115687752725,0.042354876293605646,0.14017416558152287
EOS-3-12794,c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccncn6)cn5)n34)cn2)cc1,NRFONMGRUKKPRE-UHFFFAOYSA-N,3,1,0.357,41,363,444.458,4.498,6,0.383,0.81,1.0,0.5138355835789186,0.38121102049208416,0.532777054348571,0.48781783291069836,0.47891037283256804
EOS-3-12795,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)ccc2F)s1,GIADCJOKZCQZAD-UHFFFAOYSA-N,3,1,0.56,37,847,435.488,3.717,5,0.404,0.77,1.0,0.5662480296072921,0.6641936810362552,0.4060722363100541,0.3460266602700295,0.4956351518059078
EOS-3-12796,Cc1ncccc1-c1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1F,XADQDOUEXFEVKH-UHFFFAOYSA-N,3,1,0.518,97,253,430.418,4.414,5,0.411,0.81,1.0,0.9114094304708382,0.8418631348091289,0.8928363374683024,0.8596737715029813,0.8764456685628128
EOS-3-12797,Cc1ccc(-c2nnc3cncc(OCc4noc(-c5ccc(Cl)nn5)n4)n23)cc1,OTOVNDACVOJRCJ-UHFFFAOYSA-N,3,1,0.5,72,97,420.82,3.172,5,0.422,0.8,1.0,0.6973219793023097,0.639675142210952,0.13749914330751833,0.18995442395997533,0.4161126721951888
EOS-3-12799,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)nn1,XFXXBNFDNBIYBI-UHFFFAOYSA-N,3,1,0.291,10,37,436.414,3.03,6,0.414,0.66,0.993,0.006313823589884175,0.11288636830923172,0.3424199849222123,0.4161212391200055,0.21943535398533343
EOS-3-12800,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)n2)c1,NYWRWQZRYSLULQ-UHFFFAOYSA-N,3,1,0.34,10,952,436.414,3.03,6,0.414,0.66,0.996,0.022899390034953053,0.17116715783702283,0.19804160098690973,0.3144832430950586,0.17664784798848604
EOS-3-12801,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccccc3)n12,MCJZYDQIPNIXCN-UHFFFAOYSA-N,3,1,0.293,64,854,432.451,3.106,6,0.418,0.69,1.0,0.06300973202659174,0.01745082585155233,0.045875882393256115,0.09583818792406278,0.05554365704886574
EOS-3-12802,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)n1,RYWQMVQRNWJEHE-UHFFFAOYSA-N,3,1,0.303,98,890,436.443,1.839,6,0.406,0.65,1.0,0.08506099650469467,0.040435885134672056,0.031603385648687546,0.03423343156740456,0.0478334247138647
EOS-3-12803,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nn4)n23)cc1,SFWZOFOWQUGUAO-UHFFFAOYSA-N,3,1,0.301,98,890,436.443,1.839,6,0.406,0.65,1.0,0.07641696936467686,0.040444452059488725,0.03963916112672195,0.04355424576793914,0.05001370707970667
EOS-3-12804,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccncn5)cn4)n23)ccc1Cl,UIIJQNHZVVJNKW-UHFFFAOYSA-N,3,1,0.585,4,71,433.834,4.015,5,0.413,0.73,1.0,0.8770903296552669,0.9433126584881091,0.8153913371256254,0.8119302994996916,0.8619311561921733
EOS-3-12805,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5nnc(C)n5C)cc4F)n23)c(F)c1,ISJNLGYJYVQIKA-UHFFFAOYSA-N,3,1,0.383,85,9,475.463,2.519,5,0.415,0.72,0.217,0.2090672332259612,0.267613597423069,0.21219416078404496,0.18460009594955795,0.21836877184565828
EOS-3-12806,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cc5)n34)cc2)n1C,VLJXTXUBGWIHCL-UHFFFAOYSA-N,3,1,0.324,9,508,448.494,3.358,6,0.407,0.68,1.0,0.16711500239873894,0.0739582619422932,0.20509218011102734,0.1761788088547735,0.15558606332670827
EOS-3-12807,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(F)c6F)n5)n34)cc2)no1,QYEDQQCTYSHFLO-UHFFFAOYSA-N,3,1,0.317,3,973,458.392,3.071,6,0.392,0.73,1.0,0.1644935234048386,0.27274518538825304,0.2259954766636968,0.30521383044342404,0.24211200397505311
EOS-3-12808,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc6ccccc6n5)no4)n23)cc1,DWNSWCYCRVURON-UHFFFAOYSA-N,3,1,0.301,62,302,474.484,3.949,7,0.398,0.84,1.0,0.2336628743746145,0.15561818929477075,0.0890446165444452,0.16278013844150505,0.1602764546638339
EOS-3-12809,Cc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)n5)c4)n23)n1,YURGKPOSQLABKR-UHFFFAOYSA-N,3,1,0.5,15,563,430.447,3.051,5,0.408,0.74,0.994,0.7157065999588788,0.6300887533411007,0.33530943732437807,0.2837451168528545,0.49121247686930297
EOS-3-12810,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)n5)n34)cc2)nn1,APPYXWZJDKIBOA-UHFFFAOYSA-N,3,1,0.333,98,746,436.443,1.839,6,0.406,0.66,1.0,0.04770063737920636,0.04760640120622302,0.03964772805153862,0.042363443218422316,0.04432955246384758
EOS-3-12811,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5F)n34)cn2)nn1,QQTZFMNHUFDZQV-UHFFFAOYSA-N,3,1,0.325,39,972,450.441,3.245,6,0.402,0.69,0.961,0.09243711877184566,0.17999965732300732,0.254746076348434,0.33001507778767736,0.21429948255774106
EOS-3-12812,c1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)nc1,HCZFTPBGYOSALV-UHFFFAOYSA-N,3,1,0.307,38,170,429.447,3.767,6,0.417,0.71,1.0,0.11221814817353162,0.13289870468096773,0.3842008772531012,0.39409567541635254,0.25585335138098825
EOS-3-12813,Fc1cccc(-c2ccncc2-c2nnc3cncc(-c4cnn(-c5cnccn5)n4)n23)c1,HLFVWEUIBLNSGG-UHFFFAOYSA-N,3,1,0.333,86,151,436.414,3.03,6,0.414,0.67,0.992,0.0053714618600507165,0.14763381536563636,0.32064286203824277,0.4192824343773559,0.22323264341032145
EOS-3-12814,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)nc5)nc4)n23)nc1,BFSWFBUNKAWVIZ-UHFFFAOYSA-N,3,1,0.318,86,780,452.417,2.035,6,0.365,0.7,1.0,0.22259440751147969,0.26762216434788566,0.10084983894181344,0.13528887670481804,0.18158882187649922
EOS-3-12815,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cn2)nc1,FQZBGEIUPUCVJY-UHFFFAOYSA-N,3,1,0.662,84,166,431.406,3.543,5,0.406,0.73,1.0,0.9143393187581386,0.9031851826468371,0.6107874717291482,0.6160218627921321,0.761083458981564
EOS-3-12816,Cc1cc(Cl)ccc1-c1nnc2cncc(Cc3ncc(-c4ccnn4C)cc3F)n12,WKIZLABCFSGZCT-UHFFFAOYSA-N,3,1,0.349,14,81,433.878,4.279,5,0.423,0.77,1.0,0.30610479062435747,0.43238982934685766,0.6851226783633747,0.7190648344870125,0.5356705332054006
EOS-3-12817,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(C)nn5)n4)n23)nc1,UTQLORBPGTVTGU-UHFFFAOYSA-N,3,1,0.375,33,53,472.444,1.819,5,0.388,0.71,0.999,0.4001781920361867,0.24726715098348298,0.08648310602426153,0.04757213350695634,0.1953751456377219
EOS-3-12818,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)cn2)n1,XBILREQHWBSHPE-UHFFFAOYSA-N,3,1,0.6,36,258,437.826,2.748,5,0.413,0.67,1.0,0.7950705914604893,0.8611301487218148,0.35028442190391335,0.4509543554245768,0.6143598793776985
EOS-3-12819,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)c2)cn1,JWDFGSOKAFVSCC-UHFFFAOYSA-N,3,1,0.512,16,980,435.85,3.958,5,0.415,0.74,1.0,0.5829106983757111,0.5536974847508739,0.8093602220546913,0.8010674388321568,0.6867589610033582
EOS-3-12820,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cc1,QFBXLDZZMZELCF-UHFFFAOYSA-N,3,1,0.588,11,846,428.883,4.523,5,0.395,0.79,1.0,0.797863408950723,0.9031937495716538,0.6798454526763074,0.7482523473373998,0.782288739634021
EOS-3-12821,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)s1,YOQXKJCTOQNWLK-UHFFFAOYSA-N,3,1,0.321,38,746,437.492,3.772,6,0.414,0.72,1.0,0.07864436981701049,0.11577342197244878,0.1876499211842917,0.2661058186553355,0.1620433829072716
EOS-3-12822,CNC(=O)c1ccc(-c2nnc3cncc(-c4sc(C)nc4-c4ccc(Cl)cc4)n23)cc1,LAMWBYQLYMHPCM-UHFFFAOYSA-N,3,1,0.392,62,3,460.95,4.903,5,0.412,0.84,1.0,0.15644918100198751,0.3377167431978617,0.4390634637790419,0.43803543280104174,0.34281620519498324
EOS-3-12823,Clc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)cn1,NVJGNGFNTONZBL-UHFFFAOYSA-N,3,1,0.327,98,618,442.834,2.267,6,0.435,0.65,1.0,0.001970392707833596,0.11578198889726543,0.14049756699335206,0.21000959495579466,0.11706488588856143
EOS-3-12824,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nn1,CBJBRWRSDWIPRV-UHFFFAOYSA-N,3,1,0.453,18,88,444.886,3.622,5,0.391,0.69,0.997,0.5319631964909876,0.5632410389966418,0.3170533205400589,0.32679391405661024,0.4347628675210746
EOS-3-12825,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)cn1,QJTNUYDIJMVHNP-UHFFFAOYSA-N,3,1,0.643,91,660,426.455,4.317,5,0.402,0.81,1.0,0.8663902405592488,0.851792200671647,0.6960455075046261,0.6565177164005209,0.7676864162840107
EOS-3-12826,Cc1ncc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc(Cl)n2)o1,AQZRNZJIPCJIQE-UHFFFAOYSA-N,3,1,0.327,52,582,472.896,3.757,6,0.383,0.87,1.0,0.2527671167157837,0.2522616681516003,0.1256682201357001,0.1627887053663217,0.19837142759235146
EOS-3-12827,COc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCc3cccc(C)n3)n12,WGPCYVNSRWKHLY-UHFFFAOYSA-N,3,1,0.495,4,92,443.442,3.678,5,0.392,0.77,1.0,0.6087399766979645,0.5588376396408745,0.33885614419847854,0.2421783976423823,0.437153039544925
EOS-3-12828,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3nccc(Cl)n3)n12,NJVVACKINQPCMA-UHFFFAOYSA-N,3,1,0.424,72,820,434.822,3.41,5,0.387,0.77,1.0,0.7866835720649715,0.8487852100609965,0.5295644575423206,0.5856264135425947,0.6876649133027208
EOS-3-12829,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccs5)cn4)n23)n1,PLRQXPGOMXUYPJ-UHFFFAOYSA-N,3,1,0.299,76,387,438.48,3.167,6,0.412,0.67,0.998,0.03741176067438832,0.06671064354739223,0.058477828798574466,0.0937821259680625,0.06409558974710437
EOS-3-12830,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)o2)nn1,CFXRCQVTDNXHMJ-UHFFFAOYSA-N,3,1,0.342,38,63,438.386,2.894,6,0.404,0.68,1.0,0.3008961003358235,0.34760297443629634,0.15553252004660406,0.19806730176135975,0.25052472414502086
EOS-3-12831,Cn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)ccc2F)n1,QWNWLOALBNTBCO-UHFFFAOYSA-N,3,1,0.568,34,146,437.385,3.583,5,0.418,0.71,1.0,0.8509098074155301,0.820223082722226,0.8690117195531492,0.859682338427798,0.8499567370296758
EOS-3-12832,Cn1cncc1-c1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nn1,CROLRZKIYDILSA-UHFFFAOYSA-N,3,1,0.359,33,53,469.469,1.243,6,0.369,0.75,1.0,0.14499520252210266,0.07743643341786033,0.009329381125351244,0.008421287094784456,0.060045576040024674
EOS-3-12833,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4ccc(C#N)cn4)n23)ccc1F,ATCBZQBBPSUVJH-UHFFFAOYSA-N,3,1,0.529,4,677,426.415,3.177,5,0.425,0.73,1.0,0.48896580083613184,0.5723990816256597,0.7425382084846823,0.6798968542252073,0.6209499862929202
EOS-3-12834,Fc1cnc(-c2cncc(-c3nnc4cncc(COc5ccc(F)c(Cl)c5)n34)c2)nc1,JQWXRWUULCNDRB-UHFFFAOYSA-N,3,1,0.426,2,491,451.824,4.154,5,0.396,0.76,1.0,0.6283925022274005,0.6888492906586252,0.835052429579878,0.8561956000274141,0.7521224556233295
EOS-3-12835,Fc1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1-c1ccccn1,LXIHHENFAYDKHI-UHFFFAOYSA-N,3,1,0.506,97,89,434.381,4.245,5,0.385,0.81,1.0,0.9497464190254267,0.9032023164964704,0.9253478171475568,0.9104927695154548,0.9221973305462272
EOS-3-12836,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncn4)n23)cc1,NLLGUNVHJKLXMX-UHFFFAOYSA-N,3,1,0.489,72,463,430.859,3.579,5,0.416,0.68,1.0,0.7340226852169145,0.7925433486395723,0.4127972722911384,0.41612980604482214,0.5888732780481118
EOS-3-12837,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6F)n5)n34)cc2)nn1,GNAIRAYIFOWTND-UHFFFAOYSA-N,3,1,0.293,98,973,451.429,2.734,6,0.372,0.71,0.999,0.02498115276540333,0.180008224247824,0.12567678706051677,0.1654273182098554,0.12402337057089988
EOS-3-12838,Cn1cc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)c(F)c5)n34)cn2)cn1,UANBYZPQYWJXNQ-UHFFFAOYSA-N,3,1,0.279,39,972,456.42,3.113,6,0.401,0.69,1.0,0.020809060379686106,0.09993317798642999,0.5089438695086012,0.5406157905558221,0.29257547460763483
EOS-3-12839,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(CO)c5)n34)c2)n1,YYXPHVFJJNOPEC-UHFFFAOYSA-N,3,1,0.483,16,506,426.44,2.418,5,0.436,0.74,1.0,0.382530326913851,0.2570505791241176,0.2841477623192379,0.20700260434514425,0.2826828181755877
EOS-3-12840,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)c(F)c1,USUYCKPKQVBPST-UHFFFAOYSA-N,3,1,0.325,3,783,442.389,3.972,6,0.407,0.73,1.0,0.09965046946747995,0.25705914604893426,0.7348965115482147,0.7784250565417038,0.4675077959015832
EOS-3-12841,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)n5)n34)cc2)n1,UCZQGYANUQNOHV-UHFFFAOYSA-N,3,1,0.298,98,865,447.466,2.809,6,0.401,0.69,1.0,0.0646974162154753,0.051230210403673496,0.08419573709821122,0.08802515249126174,0.07203712905215544
EOS-3-12842,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)s2)n1C,OEKQJCCMAQNEFZ-UHFFFAOYSA-N,3,1,0.39,85,784,448.487,2.786,5,0.442,0.64,0.998,0.23098142690699747,0.2421783976423823,0.0864916729490782,0.0845469810156946,0.16104961962853814
EOS-3-12843,Clc1ccc(-c2nnc3cncc(COc4cccc(-c5ccc(Cl)nn5)n4)n23)cc1,XOMKPIAJLMTEHB-UHFFFAOYSA-N,3,1,0.407,14,189,450.289,4.529,5,0.389,0.8,1.0,0.5772393941470769,0.8085463641971078,0.6341923103282846,0.7217034473305463,0.6854203790007538
EOS-3-12844,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccsc5)ncn4)n23)c(F)c1,UFLOSSCULOIGFZ-UHFFFAOYSA-N,3,1,0.474,4,354,447.455,3.127,5,0.424,0.68,1.0,0.527105750119937,0.3905404016174354,0.44963504900280993,0.35888561441984784,0.43154170379000756
EOS-3-12845,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(F)cc4Cl)n23)nc1,IMWRRGHJSBXGPD-UHFFFAOYSA-N,3,1,0.411,65,551,450.865,3.396,5,0.391,0.71,1.0,0.670438969227606,0.6254626139401,0.3687804125830992,0.4161383729696388,0.520205092180111
EOS-3-12846,Cc1cc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)nc(-c2ccnc(F)c2)n1,OPJDQGAGQRHGHV-UHFFFAOYSA-N,3,1,0.505,89,744,443.442,3.162,5,0.399,0.74,1.0,0.8061561921732575,0.6642022479610719,0.553149201562607,0.4541755191556439,0.6194207902131451
EOS-3-12847,CCn1cc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)cn2)cn1,KKDOQWMFOGYODZ-UHFFFAOYSA-N,3,1,0.278,99,356,453.445,2.852,6,0.391,0.69,1.0,0.004917414844767322,0.06290692892879172,0.16194914673428826,0.2242906586251799,0.1135160372832568
EOS-3-12848,Cc1noc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(F)c6)n5)n34)cn2)n1,LJSDQJGHAYOQES-UHFFFAOYSA-N,3,1,0.32,10,952,441.39,2.327,6,0.4,0.7,1.0,0.08290213145089438,0.19732197930230963,0.05292646151737372,0.0880337194160784,0.10529607292166404
EOS-3-12849,CCn1cc(-c2cnnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cn1,CUQFPOBKVRVZPB-UHFFFAOYSA-N,3,1,0.415,53,182,434.41,3.322,5,0.404,0.7,1.0,0.42246076348433964,0.3035175793297238,0.622729764923583,0.5887105064765952,0.4843546535535604
EOS-3-12850,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)cn4)n23)ccc1F,IWCVZGXBPXBKMV-UHFFFAOYSA-N,3,1,0.473,92,399,432.419,2.709,5,0.403,0.69,1.0,0.5216486190117195,0.5353299979439381,0.4882290453018984,0.3396528682064286,0.4712151326159962
EOS-3-12851,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)c1,DQTKDHDZOFNHON-UHFFFAOYSA-N,3,1,0.529,43,521,434.862,4.563,5,0.405,0.8,1.0,0.7669282434377356,0.7454423959975327,0.8858542937427181,0.8823675553423344,0.8201481221300801
EOS-3-12852,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccn(C)n5)n34)c(Cl)c2)n1,DAZBDKSGUMXCLT-UHFFFAOYSA-N,3,1,0.477,36,404,433.863,2.918,5,0.416,0.71,1.0,0.3572921664039476,0.5262833253375369,0.21886779521622918,0.21867075594544583,0.33027851072578984
EOS-3-12853,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cc1,SYDZWTYZZOCDOM-UHFFFAOYSA-N,3,1,0.512,97,560,432.846,4.62,5,0.403,0.8,1.0,0.6227725995476664,0.7314611746967309,0.8383763964087451,0.87533411006785,0.7669860701802481
EOS-3-12854,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cc2)nn1,PDGGIWWQRAWSSN-UHFFFAOYSA-N,3,1,0.333,38,42,434.423,3.064,6,0.407,0.68,1.0,0.2118343499417449,0.1403262284970187,0.14633164279350283,0.14212528270851896,0.16015437598519636
EOS-3-12855,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ncccn5)nc4)n23)s1,IIZCIZKTPUKPIO-UHFFFAOYSA-N,3,1,0.27,86,459,438.48,3.167,6,0.412,0.71,1.0,0.044847851415255977,0.07035158659447605,0.05487115345075732,0.057115687752724284,0.0567965698033034
EOS-3-12856,Cn1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)n1,WAHQGTJMOWBHJW-UHFFFAOYSA-N,3,1,0.4,33,53,468.481,1.848,6,0.379,0.75,0.994,0.22850558563498047,0.10328284558974711,0.032948392844904396,0.027388458638886986,0.09803132067712975
EOS-3-12857,Fc1ccnc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1,CAAHIQBVQFTTJR-UHFFFAOYSA-N,3,1,0.277,10,195,435.426,3.635,6,0.417,0.68,0.866,0.011248372284284833,0.09994174491124666,0.45676273045027754,0.5307209923925708,0.27466846000959494
EOS-3-12858,FC(F)(F)c1cnc(COc2cncc3nnc(-c4cccnc4-c4ccncc4)n23)nc1,CIYQXNDSRMBCRC-UHFFFAOYSA-N,3,1,0.432,27,343,450.384,3.636,5,0.4,0.72,1.0,0.6087485436227812,0.6642108148858885,0.857412103351381,0.7558340758001508,0.7215513844150503
EOS-3-12859,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ncccn6)cn5)n34)nc2)nc1,XTSUGOJRTLKFNY-UHFFFAOYSA-N,3,1,0.444,80,34,460.461,3.074,6,0.365,0.73,1.0,0.4315845384140909,0.36191830580494827,0.14050613391816874,0.12879514769378383,0.2657010314577479
EOS-3-12860,COc1cc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)ccc1-c1ncccn1,SXYOGSBEYVTMEN-UHFFFAOYSA-N,3,1,0.479,35,795,444.43,2.808,5,0.374,0.7,1.0,0.9068432595435543,0.7130165855664451,0.23343156740456444,0.17070454389692277,0.5059989891028716
EOS-3-12861,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cn5)n34)cc2)n1,QUDGCIBNHQJZQS-UHFFFAOYSA-N,3,1,0.321,38,983,449.453,3.85,6,0.403,0.72,1.0,0.2007401823041601,0.2570677129737509,0.4811956000274142,0.45418408608046057,0.3482968953464465
EOS-3-12862,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cc4)n23)cn1,TXHVXTKNLKLNEA-UHFFFAOYSA-N,3,1,0.317,38,522,449.453,3.85,6,0.403,0.72,1.0,0.24454286889178262,0.2727537523130697,0.477511822356247,0.5071619491467343,0.3754925981769584
EOS-3-12863,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)nc1,DTTBUONTXWXOJC-UHFFFAOYSA-N,3,1,0.329,94,515,449.453,3.85,6,0.403,0.72,0.996,0.28205743266397093,0.33772531012267837,0.46368480570214515,0.49394318415461586,0.3943526831608526
EOS-3-12864,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3F)n12,YLRQDQGMKZZVGD-UHFFFAOYSA-N,3,1,0.354,8,474,449.453,3.85,6,0.403,0.72,1.0,0.15901925844698786,0.29364848194092247,0.30939448975395795,0.4129857446371051,0.2937619936947433
EOS-3-12865,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)c(F)cc4F)n23)cc1,SMGWQXSBHYIMTA-UHFFFAOYSA-N,3,1,0.523,97,744,430.418,4.414,5,0.411,0.8,1.0,0.7695154547323693,0.7882427523816051,0.7821259680625042,0.7558426427249675,0.7739317044753615
EOS-3-12866,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1cncn1C,VYBULIDSOYBSCF-UHFFFAOYSA-N,3,1,0.478,4,248,445.458,3.622,5,0.394,0.75,1.0,0.6143598793776985,0.48961688712219864,0.5919488040572956,0.4002124597354534,0.5240345075731615
EOS-3-12867,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccnc(-c5cccnc5)n4)n23)cc1,RPPPVZBUUDHHNC-UHFFFAOYSA-N,3,1,0.295,94,515,429.447,3.767,6,0.417,0.72,0.898,0.14238229045301898,0.09379069289287917,0.2690871084915359,0.3235213487766431,0.2071953601535193
EOS-3-12868,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nccc(Cl)n5)c4)n23)cn1,YRHPRCMMFKTLPI-UHFFFAOYSA-N,3,1,0.523,55,879,430.859,3.579,5,0.39,0.74,1.0,0.7369611404290316,0.7035415667192104,0.43129326297032416,0.4032023164964704,0.5687495716537592
EOS-3-12869,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nc(C)n2)nc1,FXFKRTBYPGGUJK-UHFFFAOYSA-N,3,1,0.542,44,294,445.433,4.117,5,0.402,0.76,1.0,0.739993831814132,0.5588462065656912,0.6716040710026728,0.6191059557261326,0.6473875162771572
EOS-3-12871,COc1cc(-c2nnc3cncc(OCc4nnnn4C)n23)ccc1-c1cnc(F)cn1,KGWUGXRCSPVPSG-UHFFFAOYSA-N,3,1,0.415,36,638,434.395,1.498,5,0.387,0.7,1.0,0.47137790418751285,0.4717891165787129,0.08158282502912755,0.06473168391474196,0.2723703824275238
EOS-3-12872,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)nc1,LKQVANZOCMQZTC-UHFFFAOYSA-N,3,1,0.46,73,82,434.822,3.41,5,0.387,0.7,1.0,0.7461448838324994,0.7314697416215475,0.4202247961071894,0.4667945994105956,0.591158505242958
EOS-3-12873,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(C)o5)n4)n23)nc1,XZLOLZUENOOLJW-UHFFFAOYSA-N,3,1,0.386,33,53,456.466,2.873,5,0.392,0.68,0.996,0.24455143581659927,0.08446131176752793,0.08905318346926187,0.031037968610787472,0.11227597491604413
EOS-3-12874,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)cn5)n34)nc2)n1C,LRPOEXGUBOPQKZ-UHFFFAOYSA-N,3,1,0.253,70,652,449.482,2.753,6,0.403,0.66,0.834,0.09486155849496265,0.051238777328490165,0.12303817421698307,0.0827136591049277,0.08796304228634089
EOS-3-12875,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncon5)ncc4Cl)n23)cc1,RKTZEJWUWVRLJS-UHFFFAOYSA-N,3,1,0.5,89,731,462.857,2.828,5,0.404,0.71,1.0,0.6765900212459736,0.5306867246933041,0.3170618874648756,0.24493694743334932,0.4423188952093757
EOS-3-12876,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5cccc(CO)n5)c4)n23)n1,IZURFOLKVSURBA-UHFFFAOYSA-N,3,1,0.489,24,912,425.452,3.023,5,0.442,0.74,1.0,0.42246933040915635,0.3136094167637585,0.34626653416489617,0.24218696456719896,0.3311330614762525
EOS-3-12877,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)nc1,HONQOUPOLNSKIB-UHFFFAOYSA-N,3,1,0.311,8,927,419.412,2.286,6,0.423,0.75,1.0,0.021725721335069562,0.043922623535055855,0.049199849222123226,0.07168802686587622,0.046634055239531215
EOS-3-12878,COc1cc(-c2nnc3cncc(CCc4cccc(F)c4)n23)ccc1-c1cn(C)cn1,PPOCAZDODAYZCZ-UHFFFAOYSA-N,3,1,0.46,14,886,428.471,4.125,5,0.407,0.83,1.0,0.4937718456582825,0.4896254540470153,0.679854019601124,0.5977571790829964,0.5652521245973545
EOS-3-12879,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4nnnn4C)n23)nc1,NTPYWKNQBIZRCU-UHFFFAOYSA-N,3,1,0.292,99,866,438.419,0.629,6,0.38,0.67,1.0,0.08291069837571105,0.0629154958536084,0.004609005551367281,0.004035021588650538,0.03861755534233432
EOS-3-12880,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)nc4-c4ccnc(F)c4)n23)nc1,BBVJWMSWCKGWIN-UHFFFAOYSA-N,3,1,0.291,52,523,470.443,3.481,6,0.392,0.77,0.998,0.16450209032965527,0.2115173737235282,0.3278133781097937,0.4256305256665068,0.28236584195737097
EOS-3-12881,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5conn5)cn4)n23)c1,SKHLNJXULNAOJE-UHFFFAOYSA-N,3,1,0.314,10,543,438.386,2.894,6,0.404,0.69,0.999,0.16451065725447195,0.22166917963127955,0.2511394010006168,0.3588941813446645,0.2490533548077582
EOS-3-12882,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)nc4)n23)c(F)c1,JJEGKFBDCIUVII-UHFFFAOYSA-N,3,1,0.469,89,707,473.428,2.242,6,0.373,0.77,1.0,0.43614214241655813,0.2936570488657392,0.07293023096429306,0.09379069289287917,0.22413002878486737
EOS-3-12883,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)ccc2F)cn1,QHSZBMBKEZJTEL-UHFFFAOYSA-N,3,1,0.506,20,779,429.419,2.502,5,0.401,0.69,1.0,0.8460523610444795,0.7753923651566034,0.25818998012473443,0.25698204372558425,0.5341541875128504
EOS-3-12884,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)c(F)c1,QEOPAMLPFQIQAH-UHFFFAOYSA-N,3,1,0.307,8,765,440.406,1.764,6,0.402,0.65,1.0,0.029658693715303955,0.21152594064834487,0.049208416146939896,0.08455554794051127,0.093737149612775
EOS-3-12885,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnn5)cc4F)n23)nc1,LZXBWSMZFXHMCZ-UHFFFAOYSA-N,3,1,0.346,33,647,468.456,2.055,6,0.397,0.66,0.402,0.16712356932355563,0.147642382290453,0.08420430402302789,0.13097971352203414,0.1324874922897677
EOS-3-12886,Cc1cc(-c2nnc3cncc(OCc4ccccc4-c4ncnn4C)n23)ccc1Cl,XWONHKYCTFKFIE-UHFFFAOYSA-N,3,1,0.536,43,250,431.887,4.128,5,0.416,0.76,1.0,0.597483037488863,0.6691710643547393,0.5663765334795422,0.5762713316427935,0.6023254917414845
EOS-3-12887,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3nnc(-c4ccccc4)n3C)n12,HHXVPRNEFFHLQB-UHFFFAOYSA-N,3,1,0.386,8,474,464.493,3.058,6,0.382,0.74,1.0,0.1180008224247824,0.030918031663354124,0.0793297238023439,0.08102597491604413,0.07731863820163114
EOS-3-12888,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnn(C)c6)cn5)n34)cc2)n(C)n1,XMELADGUJSGTSS-UHFFFAOYSA-N,3,1,0.329,98,167,449.482,2.753,6,0.403,0.67,1.0,0.06651360427660886,0.051247344253306834,0.10085840586663011,0.07934685765197724,0.07449155301213076
EOS-3-12889,Cc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3cncc(-c4nnnn4C)c3)n12,LPLLUPDXXLETBI-UHFFFAOYSA-N,3,1,0.271,42,213,446.478,3.414,6,0.405,0.7,1.0,0.09025255294359537,0.043931190459872524,0.222405935165513,0.2539322184908505,0.15263047426495785
EOS-3-12890,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)nc1,IAKTZNJSFWLMQH-UHFFFAOYSA-N,3,1,0.25,99,813,435.455,2.444,6,0.414,0.65,1.0,0.041943663902405594,0.03092659858817079,0.12007401823041601,0.10835446508121445,0.07532468645055171
EOS-3-12892,Cc1cc(-c2nnc3cncc(OCc4cnnc(-c5nnn(C)n5)c4)n23)ccc1Cl,UHQQVIKMWGRYGN-UHFFFAOYSA-N,3,1,0.494,36,571,434.851,2.313,5,0.41,0.69,1.0,0.4455143581659927,0.6165016105818656,0.137507710232335,0.18191864848194092,0.34536058186553353
EOS-3-12893,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ncc(-c5nn[nH]n5)cn4)n23)cc1,FGMVOVIIIPLAHH-UHFFFAOYSA-N,3,1,0.291,94,342,420.4,1.885,6,0.448,0.71,0.998,0.11800938934959906,0.1157905558220821,0.05105030498252347,0.08456411486532794,0.09235359125488314
EOS-3-12894,Cc1nc(-c2ccc(-c3nnc4cncc(N5CCc6cc(F)c(F)cc6C5)n34)cc2)n[nH]1,JOLUCBUFCIRQIT-UHFFFAOYSA-N,3,1,0.426,91,781,444.449,3.726,6,0.456,0.7,1.0,0.20626584881091084,0.26763073127270237,0.30579638133095743,0.42885168939757384,0.3021361627030361
EOS-3-12895,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)cn1,IBNFIIWFKKFSMA-UHFFFAOYSA-N,3,1,0.321,86,968,435.455,2.444,6,0.414,0.66,1.0,0.09487012541977932,0.04761496813103968,0.12568535398533343,0.10836303200603112,0.09413336988554588
EOS-3-12896,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cn[nH]c5)cn4)n23)cc1,WGRLHDCUCORBIE-UHFFFAOYSA-N,3,1,0.389,14,357,442.458,3.056,5,0.418,0.69,1.0,0.1980244671372764,0.22709204304023028,0.4313018298951408,0.3396614351312453,0.2990199438009732
EOS-3-12897,COc1ccc(-c2nnc3cncc(-c4cc(-c5cnc(C)cn5)ncn4)n23)cc1Cl,OSNQTOYIBKAUKM-UHFFFAOYSA-N,3,1,0.378,50,155,430.859,3.676,5,0.425,0.7,1.0,0.35955383455554796,0.36682715372489894,0.48465663765334793,0.4320557192790076,0.41077333630320056
EOS-3-12898,OCc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)cn1,NAPMPBNRQFCOCE-UHFFFAOYSA-N,3,1,0.539,1,666,428.427,3.459,5,0.442,0.72,1.0,0.7067627304502776,0.5494225892673565,0.7497601261051333,0.6858251661983414,0.6729426530052771
EOS-3-12899,Cc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n(C)n1,LUVUZMSIWLGGMP-UHFFFAOYSA-N,3,1,0.542,36,156,433.863,2.918,5,0.416,0.69,1.0,0.5799294085395107,0.7083561784661778,0.09130628469604551,0.1421338496333356,0.3804314303337674
EOS-3-12900,Cc1cnc(-c2cc(CO)cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)cn1,KFKOTOCWHYFGAH-UHFFFAOYSA-N,3,1,0.528,97,521,442.454,3.767,5,0.427,0.74,1.0,0.8114334178603249,0.6300973202659174,0.8031834692618738,0.7242820917003633,0.7422490747721198
EOS-3-12901,Clc1ccccc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)ncn3)n12,VQWDEAJFKWHYDJ-UHFFFAOYSA-N,3,1,0.583,18,481,430.859,3.313,5,0.404,0.7,1.0,0.6312367212665342,0.6165101775066822,0.402439860187787,0.4635391679802618,0.5284314817353163
EOS-3-12902,Cc1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1C,ZKTMNVGLFOIECV-UHFFFAOYSA-N,3,1,0.44,46,348,431.887,4.128,5,0.416,0.74,1.0,0.6255996847371668,0.5678329106983757,0.5260862860667535,0.5003598108423001,0.554969673086149
EOS-3-12903,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)n1,GNVZKUDJLQYYAS-UHFFFAOYSA-N,3,1,0.557,36,447,419.836,2.609,5,0.427,0.75,1.0,0.6284010691522172,0.5444623397985059,0.26536906312110203,0.30179562744157357,0.4350070248783497
EOS-3-12904,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)nc4)n23)nc1,KEPARINHSRAAEV-UHFFFAOYSA-N,3,1,0.283,70,179,450.441,3.245,6,0.376,0.72,1.0,0.13709649784113495,0.23678123500788156,0.36513946953601534,0.38151086286066754,0.28013201631142487
EOS-3-12905,Fc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1ncccn1,NRWJCGFUKVTLHQ-UHFFFAOYSA-N,3,1,0.578,35,325,447.861,4.057,5,0.387,0.73,1.0,0.9574652182852443,0.9590586663011446,0.7087416900829279,0.7352049208416147,0.8401176238777328
EOS-3-12906,Cc1nc(-c2cccc(F)c2F)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,AWXLIJUFUWSSGB-UHFFFAOYSA-N,3,1,0.489,44,531,445.433,3.851,5,0.392,0.73,1.0,0.772436776094853,0.6066753478171476,0.6168185868000823,0.6069323555616476,0.6507157665684327
EOS-3-12907,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)ccn2)cn1,BFWNXCLCMNXNND-UHFFFAOYSA-N,3,1,0.558,97,183,444.882,3.973,5,0.423,0.74,1.0,0.6943578233157426,0.6739942430265232,0.7750753889383867,0.7636642450825851,0.7267729250908094
EOS-3-12908,Cn1nc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,PSUZGVSIVIHEDQ-UHFFFAOYSA-N,3,1,0.265,99,813,436.443,1.839,6,0.406,0.68,1.0,0.026163388390103487,0.019095675416352546,0.03295695976972106,0.046235693235556166,0.031112929202933313
EOS-3-12909,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)cc1,RMQIZYLYJNEAJX-UHFFFAOYSA-N,3,1,0.522,15,320,441.43,2.614,5,0.394,0.69,1.0,0.8191607840449592,0.7314783085463642,0.3577547803440477,0.31449181001987525,0.5557214207388116
EOS-3-12910,Fc1cnnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,JCOTZJLDEPMGFG-UHFFFAOYSA-N,3,1,0.541,34,268,433.834,4.015,5,0.413,0.7,1.0,0.7810551024604208,0.9391748338016586,0.6744739908162566,0.7378606675347817,0.7831411486532793
EOS-3-12911,COCc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nc5)n34)cn2)o1,LBFXXGLPRIWKOI-UHFFFAOYSA-N,3,1,0.284,52,974,469.465,2.337,6,0.377,0.81,0.998,0.1645192241792886,0.040453018984305394,0.015317661572202042,0.017939140566102393,0.059557261325474606
EOS-3-12912,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)ccn1,YESSQHDHDGKHAA-UHFFFAOYSA-N,3,1,0.494,55,879,429.871,4.184,5,0.413,0.76,1.0,0.7521074635049003,0.7267493660475636,0.6579826605441711,0.6276214789939003,0.6911152422726339
EOS-3-12913,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncc4F)n23)cn1,SWZMVNNYXADVFK-UHFFFAOYSA-N,3,1,0.477,73,930,432.394,3.204,5,0.417,0.7,1.0,0.8414776231923788,0.7882513193064218,0.5327856212733877,0.47865122335686383,0.660291446782263
EOS-3-12914,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1,ZCIXVERZJAUWPP-UHFFFAOYSA-N,3,1,0.37,69,171,446.449,4.511,6,0.393,0.8,1.0,0.3034661777808238,0.4410509903365088,0.7521245973545336,0.7922092385717223,0.5722127510108972
EOS-3-12915,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)nc5)n34)cc2)n1,FHHZTEWXCIRLKA-UHFFFAOYSA-N,3,1,0.32,69,57,430.475,4.316,6,0.414,0.76,1.0,0.05595058597765746,0.055170995819340686,0.6049019943800973,0.5601740799122746,0.31904941402234255
EOS-3-12916,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,FFUVCZVSJKIMOY-UHFFFAOYSA-N,3,1,0.348,32,945,430.475,4.316,6,0.414,0.76,1.0,0.14239085737783566,0.06292406277842506,0.43131039681995753,0.44149647042697554,0.26953044685079847
EOS-3-12917,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccccc4)n23)cc1,LYSUQAIWKPORAF-UHFFFAOYSA-N,3,1,0.377,93,220,430.475,4.316,6,0.414,0.76,1.0,0.09026111986841204,0.04393975738468919,0.4093790692892879,0.4415050373517922,0.24627124597354533
EOS-3-12918,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cn1,BRTSRRWIDKJVGJ-UHFFFAOYSA-N,3,1,0.315,38,57,430.475,4.316,6,0.414,0.76,1.0,0.05246384757727366,0.06293262970324172,0.5856264135425947,0.5504420533205401,0.31286623603591257
EOS-3-12919,Cc1nc(-c2ccc(F)cn2)c(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)s1,QFXPJCPSYSAGGD-UHFFFAOYSA-N,3,1,0.533,89,731,461.482,3.435,5,0.411,0.72,1.0,0.654787197587554,0.4233602905900898,0.2154067575902954,0.17355732986087313,0.36677789390720306
EOS-3-12920,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cc(F)ccc5F)n34)nc2)n1,ZICHEPZWWYXCBI-UHFFFAOYSA-N,3,1,0.299,39,972,469.419,2.779,6,0.383,0.72,0.874,0.1867418271537249,0.267639298197519,0.22965355356041395,0.3268024809814269,0.2527092899732712
EOS-3-12921,Cc1cnc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)c(-c2cnccn2)c1,CRRWRDCMBFNSDL-UHFFFAOYSA-N,3,1,0.304,94,136,444.462,3.471,6,0.402,0.68,0.998,0.12889795079158387,0.0844698786923446,0.12008258515523268,0.1471112329518196,0.12014041189774519
EOS-3-12922,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccn4)n23)cc1,BYCIPLPHAXIQKV-UHFFFAOYSA-N,3,1,0.311,38,787,431.463,3.711,6,0.419,0.72,1.0,0.09244568569666232,0.04762353505585635,0.2511479679254335,0.27782537180453704,0.1672606401206223
EOS-3-12923,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)s5)n34)cc2)cn1,IAYONUHDKNJLCM-UHFFFAOYSA-N,3,1,0.3,98,746,440.496,3.111,6,0.415,0.66,1.0,0.06470598314029197,0.10982797614968132,0.11131005414296484,0.1352974436296347,0.10528536426564321
EOS-3-12924,Cc1cc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)c(-c2cnc(C)nc2)nn1,DECXNVIFDWPFQU-UHFFFAOYSA-N,3,1,0.366,82,859,441.43,2.56,5,0.449,0.6,1.0,0.17249503118360635,0.20671132890137756,0.2618651908710849,0.2010057569734768,0.21051932698238637
EOS-3-12925,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)nn1,BYYRYTDECASBAG-UHFFFAOYSA-N,3,1,0.269,99,880,435.415,1.291,6,0.394,0.67,0.747,0.06652217120142553,0.013107394969501748,0.008806798711534508,0.01614008635460215,0.026144112809265985
EOS-3-12926,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)c2)nn1,CWNKEMYZKLSRLN-UHFFFAOYSA-N,3,1,0.294,98,727,435.455,2.444,6,0.414,0.64,1.0,0.0665307381262422,0.02571790829963676,0.10887704749503119,0.11315194297854841,0.07856940922486463
EOS-3-12927,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)cn2)n1,CYOYPVMTQSBCET-UHFFFAOYSA-N,3,1,0.313,50,542,425.338,1.853,5,0.426,0.68,0.957,0.09965903639229662,0.20213659104927695,0.40608080323487084,0.31749880063052566,0.25634380782674254
EOS-3-12928,Cn1c(-c2cncnc2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccc(F)cc3)n12,BGKSYZDLNKGBTN-UHFFFAOYSA-N,3,1,0.359,94,507,451.429,2.64,6,0.398,0.7,0.902,0.10476492358303063,0.25707627989856763,0.1313395243643342,0.23045884449318071,0.18090989308477828
EOS-3-12929,OCc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,VQFFCPOHDSIIMS-UHFFFAOYSA-N,3,1,0.539,35,393,425.452,2.757,5,0.424,0.76,1.0,0.44552292509080943,0.41893119045987254,0.5124991433075183,0.422529298882873,0.44987063943526834
EOS-3-12930,Cc1nc(-c2ccc(Cl)nn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,XFCHWHGYTZNHKM-UHFFFAOYSA-N,3,1,0.512,58,393,444.886,3.622,5,0.391,0.72,0.998,0.7608285929682681,0.8005876910424234,0.3094030566787746,0.3175073675553423,0.5470816770612021
EOS-3-12931,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)n1,WYFRMZQSNAMPHU-UHFFFAOYSA-N,3,1,0.305,30,301,435.426,3.635,6,0.39,0.76,0.998,0.009869097388801316,0.09058666301144541,0.3842094441779179,0.4849736138715647,0.24240970461243233
EOS-3-12932,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2F)n1,MBGUZZVVHYEMRV-UHFFFAOYSA-N,3,1,0.605,37,563,428.431,3.107,5,0.406,0.7,1.0,0.8770988965800837,0.8518007675964636,0.294924953738606,0.28069529161812073,0.5761299773833185
EOS-3-12933,N#Cc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)cc(F)n1,KJGYXBIBIXKCQP-UHFFFAOYSA-N,3,1,0.386,52,582,477.463,3.213,6,0.381,0.83,1.0,0.19253306832979233,0.252270235076417,0.3614728257144815,0.40022102666027004,0.3016242889452402
EOS-3-12934,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)nn1,VACVPPDMSKGIBS-UHFFFAOYSA-N,3,1,0.484,53,241,431.847,2.708,5,0.4,0.68,0.986,0.6456719895826194,0.6789202247961071,0.17807209923925707,0.22748612158179699,0.43253760879994513
EOS-3-12935,Clc1cnc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)cn1,KIGHMSQGHXRREF-UHFFFAOYSA-N,3,1,0.419,18,720,431.847,2.708,5,0.4,0.67,1.0,0.52445000342677,0.5678414776231924,0.19805016791172642,0.2304674114179974,0.38020226509492155
EOS-3-12936,CCOc1ccc(-c2cnc(C)cn2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC)cn3)n12,YRCRPDXAAWTMNH-UHFFFAOYSA-N,3,1,0.293,33,523,466.505,3.377,5,0.404,0.76,0.952,0.21728291412514564,0.07036015351929271,0.2581985470495511,0.12236138715646631,0.16705075046261395
EOS-3-12937,Cn1ccnc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,AEYNDXNDJICOSF-UHFFFAOYSA-N,3,1,0.489,65,263,433.863,2.652,5,0.402,0.71,1.0,0.6487475155918032,0.5829878006990611,0.09348228359947913,0.11060756630799808,0.35895629154958536
EOS-3-12938,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)nn1,WVJRBOBAYNXMOM-UHFFFAOYSA-N,3,1,0.631,84,73,427.443,3.712,5,0.408,0.76,1.0,0.6732317867178398,0.6837862380919745,0.5697005003084092,0.5371547529298882,0.6159683195120279
EOS-3-12939,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)nc1,PDWRRUAYBYUVNX-UHFFFAOYSA-N,3,1,0.524,24,199,433.834,4.015,5,0.413,0.71,1.0,0.8771074635049003,0.762482009457885,0.74976869302995,0.7734391062984032,0.7906993180727846
EOS-3-12940,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)cn1,XLFHGYVIQJPTBB-UHFFFAOYSA-N,3,1,0.282,70,968,435.455,2.444,6,0.414,0.67,1.0,0.10228051538619697,0.06294119662805839,0.10609279692961414,0.09187170173394558,0.09079655266945377
EOS-3-12941,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cn1,IPPLGUILQORVOF-UHFFFAOYSA-N,3,1,0.282,70,968,435.455,2.444,6,0.414,0.67,1.0,0.10228908231101363,0.06294976355287506,0.10610136385443081,0.09188026865876225,0.09080511959427044
EOS-3-12942,CC(=O)c1ccc(-c2nnc3cncc(OCc4ncnc(-c5cccnn5)n4)n23)cc1,MXOQZZKBGIEJDO-UHFFFAOYSA-N,3,1,0.451,89,839,425.412,2.215,5,0.373,0.76,1.0,0.5216571859365362,0.3235042149270098,0.07933829072716057,0.04356281269275581,0.2420156260708656
EOS-3-12943,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)c(F)c1,WWDPGPMVDQUMPN-UHFFFAOYSA-N,3,1,0.675,91,309,439.454,3.824,5,0.399,0.76,1.0,0.9212442601603729,0.8781783291069838,0.8334161469398944,0.7852186279213214,0.8545143410321432
EOS-3-12944,Cc1ccc(-c2cc(Cl)nc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,JSVNIDZITUSCKM-UHFFFAOYSA-N,3,1,0.474,18,393,443.898,4.227,5,0.363,0.81,1.0,0.6577513535741211,0.6837948050167911,0.5792611884038106,0.5537403193749572,0.6186369165924199
EOS-3-12945,Cc1nc(-c2ccncc2)cc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)n1,MRJXZBIXVBFKRW-UHFFFAOYSA-N,3,1,0.267,30,543,444.462,3.471,6,0.402,0.69,1.0,0.04629566170927284,0.009277979576451238,0.1405147008429854,0.1871701733945583,0.09581462888081693
EOS-3-12946,N#Cc1cc(-c2nnc3cncc(Cc4nnc5ccccn45)n23)cc(-c2ccc(F)cc2)n1,NLKSDUWVDOFRAA-UHFFFAOYSA-N,3,1,0.346,14,358,447.437,3.498,6,0.407,0.68,1.0,0.31651360427660885,0.3951237063943527,0.4946713727640326,0.6132547460763484,0.45489085737783563
EOS-3-12947,Cc1ccc(-c2cc(-c3nnc4cncc(Cc5ccc(F)c(Cl)c5)n34)nc(C)n2)cn1,QWGBXKSPXALFMZ-UHFFFAOYSA-N,3,1,0.333,14,500,445.889,4.643,5,0.4,0.8,1.0,0.31402062915495854,0.39513227331916934,0.6987697895963265,0.7137876087999452,0.5304275752175999
EOS-3-12948,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)c(Cl)cn1,ZUORQXFSIPLOFH-UHFFFAOYSA-N,3,1,0.535,89,731,442.87,3.691,5,0.408,0.72,1.0,0.8114419847851415,0.77540093208142,0.7349050784730313,0.7190734014118292,0.7602053491878555
EOS-3-12949,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)cn2)n1,APCNLHKSVYERHO-UHFFFAOYSA-N,3,1,0.284,10,664,440.858,3.478,6,0.417,0.72,0.698,0.005380028784867384,0.122524158727983,0.342428551847029,0.4032108834212871,0.2183859056952916
EOS-3-12950,Cc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c2)nc1,IMXWMZJDQOZXRW-UHFFFAOYSA-N,3,1,0.272,86,812,434.467,3.143,6,0.42,0.67,0.997,0.017013912685902268,0.036991981358371596,0.18765848810910835,0.15213145089438695,0.09844895826194229
EOS-3-12952,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5Cl)nn4C)n23)cc1,GGOUHEDGEPHXRE-UHFFFAOYSA-N,3,1,0.39,67,642,468.912,3.703,6,0.388,0.75,1.0,0.11525083955863204,0.29850592831197315,0.15554108697142074,0.26611438558015216,0.2088530601055445
EOS-3-12953,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)n1,IUEWPLCEXJBJRX-UHFFFAOYSA-N,3,1,0.411,33,760,469.469,1.243,6,0.369,0.74,0.987,0.2062744157357275,0.037000548283188266,0.01016037283256802,0.008429854019601123,0.06546629771777122
EOS-3-12954,N#Cc1ccc(-c2nnc3cncc(-c4cccnc4OCCc4ccc(F)cc4)n23)cn1,HVVWKRCMDOLYQY-UHFFFAOYSA-N,3,1,0.479,96,204,437.438,3.881,5,0.397,0.77,1.0,0.6973305462271263,0.7711860050716195,0.7544205332054006,0.7082019738194778,0.7327847645809061
EOS-3-12955,Cc1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)n1C,SBFAZRXMYCGGHM-UHFFFAOYSA-N,3,1,0.529,4,10,433.422,3.752,5,0.42,0.72,1.0,0.6517802069769035,0.630105887190734,0.6851312452881914,0.6219244739908163,0.6472354533616613
EOS-3-12956,Cc1cc(C(=O)O)cnc1-c1nnc2cncc(-c3cc(-c4ccc(F)nc4)ncn3)n12,XGRMXGUELSGTPX-UHFFFAOYSA-N,3,1,0.274,50,155,428.387,2.851,5,0.429,0.7,0.461,0.2419899252964156,0.12253272565279967,0.29493352066342265,0.23047597834281405,0.222483037488863
EOS-3-12957,COc1ncc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5C)nc4)n23)cn1,NZENLXHWIUEEAL-UHFFFAOYSA-N,3,1,0.354,78,169,432.444,1.513,5,0.472,0.59,1.0,0.038996641765471865,0.004180659310533891,0.006168185868000823,0.004043588513467206,0.013347268864368447
EOS-3-12958,Cn1cnnc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,DCAKJZWSAWBVEI-UHFFFAOYSA-N,3,1,0.542,43,630,437.385,3.583,5,0.391,0.74,1.0,0.6885151805907751,0.6789287917209239,0.8633489822493318,0.838222191762045,0.7672537865807689
EOS-3-12960,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,YJODRKDXYSDCPU-UHFFFAOYSA-N,3,1,0.281,98,615,437.402,2.63,6,0.441,0.63,1.0,0.27928174902337055,0.32351278185182647,0.3804228634089507,0.409790281680488,0.3482519189911589
EOS-3-12961,c1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnccn6)ncn5)n34)cn2)ccn1,PSVPGVKXTOPKMG-UHFFFAOYSA-N,3,1,0.307,86,790,430.435,3.162,6,0.415,0.68,1.0,0.1047734905078473,0.08764820779932836,0.3170704543896923,0.317515934480159,0.20675202179425672
EOS-3-12962,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncc(C(F)F)c5)c4)n23)cn1,JWGSXFPVPASNCT-UHFFFAOYSA-N,3,1,0.352,85,290,472.459,3.531,5,0.402,0.75,1.0,0.21997292851757932,0.22167774655609623,0.6311596189431842,0.5141611267219519,0.3967428551847029
EOS-3-12963,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)cc1,YDDGFEDLNZQEEQ-UHFFFAOYSA-N,3,1,0.314,38,725,433.479,3.654,6,0.421,0.71,1.0,0.0902696867932287,0.06295833047769173,0.42422554999657325,0.36239805359468164,0.2349629052155438
EOS-3-12964,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)cc1,JIDMVOGIGDKWPS-UHFFFAOYSA-N,3,1,0.256,38,369,433.479,3.654,6,0.421,0.71,1.0,0.05090466726064012,0.017459392776368994,0.36878897950791584,0.3205143581659927,0.1894168494277294
EOS-3-12965,Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5cncn5C)c4)n23)ccc1F,ZFDABUASLWQLNN-UHFFFAOYSA-N,3,1,0.5,4,911,433.422,3.752,5,0.42,0.74,1.0,0.5947416215475293,0.577779110410527,0.7497772599547666,0.6739257076279899,0.6490559248852033
EOS-3-12966,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1,HUTINGGPIMLJOG-UHFFFAOYSA-N,3,1,0.489,20,279,432.875,3.257,5,0.406,0.69,1.0,0.7978719758755397,0.6935953670070591,0.35412240422178054,0.3687204441093825,0.5535775478034405
EOS-3-12967,Cc1nc(C#N)cc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c1F,HLNJLQZNRHWJKO-UHFFFAOYSA-N,3,1,0.5,36,320,441.43,2.88,5,0.408,0.68,1.0,0.640060653827702,0.5494311561921733,0.48120416695223084,0.3815194297854842,0.5130538516893977
EOS-3-12968,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3cc(-c4cnccn4)ncn3)n12,NRSMSEWBOLXNPJ-UHFFFAOYSA-N,3,1,0.306,86,566,437.402,2.63,6,0.441,0.64,1.0,0.2527756836406004,0.3427712288396957,0.3316513604276609,0.3492563909259132,0.3191136659584676
EOS-3-12969,CCc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5F)cc4)n23)cn1,GGMCIBIVIPXKFL-UHFFFAOYSA-N,3,1,0.406,63,334,417.448,2.575,5,0.518,0.63,1.0,0.14239942430265232,0.16320848468233842,0.35029298882873006,0.25394078541566717,0.22746042080734702
EOS-3-12970,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccoc5)cc4)n23)c1,NRJYUGDXPAIQIY-UHFFFAOYSA-N,3,1,0.333,25,791,420.436,3.909,6,0.426,0.79,1.0,0.10967377150298128,0.04763210198067302,0.3913885271742855,0.4604208073469947,0.25227880200123365
EOS-3-12971,COc1ccc(NC(=O)c2cccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)cn1,XHDSZVULRKTJSY-UHFFFAOYSA-N,3,1,0.42,62,319,479.5,3.137,5,0.366,0.85,1.0,0.25786443698170103,0.09379925981769584,0.39519224179288603,0.17071311082173943,0.22939226235350557
EOS-3-12972,CCn1ncnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)nc1,GFAKSARMVLBBND-UHFFFAOYSA-N,3,1,0.269,94,934,446.478,3.589,6,0.395,0.72,1.0,0.06653930505105887,0.019104242341169215,0.07727366184634364,0.12021108902748269,0.0707820745665136
EOS-3-12973,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nncc(-c5ccccn5)n4)n23)cc1,LWPUDWRTFKLRMF-UHFFFAOYSA-N,3,1,0.418,89,398,465.477,2.51,6,0.385,0.7,1.0,0.422477897333973,0.1476509492152697,0.04258618326365568,0.055659310533890755,0.16709358508669728
EOS-3-12974,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccncc1,UAJAZYAADPGNHN-UHFFFAOYSA-N,3,1,0.459,97,83,445.87,3.884,5,0.388,0.74,1.0,0.7431293262970324,0.6691796312795559,0.5531577684874237,0.4939517510794325,0.6148546192858612
EOS-3-12975,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5cccc(C#N)c5)cn4)n23)cn1,IVBIDHAOVVPRDR-UHFFFAOYSA-N,3,1,0.494,1,744,437.438,4.147,5,0.407,0.8,1.0,0.7838479199506545,0.854859159756014,0.8463093687889796,0.8010760057569735,0.8215231135631553
EOS-3-12976,Cc1nc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1C,SCFBUWSBRBULMB-UHFFFAOYSA-N,3,1,0.542,36,534,432.875,3.523,5,0.419,0.73,1.0,0.6284096360770338,0.7882598862312384,0.3804314303337674,0.38152799671030085,0.5446572373380851
EOS-3-12977,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)c(F)c1,ADHGXRUHTOSBJZ-UHFFFAOYSA-N,3,1,0.31,98,259,440.406,1.968,6,0.435,0.61,1.0,0.24456000274141595,0.29366561579055583,0.12839250222740045,0.17072167774655608,0.20933494962648208
EOS-3-12978,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5nccc(CN)n5)ccn4)n23)cn1,ZMGGQLZDGOCAOI-UHFFFAOYSA-N,3,1,0.467,7,949,436.439,1.948,5,0.417,0.66,1.0,0.4043245836474539,0.12948906860393394,0.23683263655678158,0.1819272154067576,0.23814337605373176
EOS-3-12979,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)c2)cn1,VSWZREGGFWZIPF-UHFFFAOYSA-N,3,1,0.542,43,623,434.862,4.563,5,0.405,0.82,1.0,0.6400692207525187,0.6888578575834419,0.9065005825508875,0.9035364265643204,0.7847410218627922
EOS-3-12980,Cn1cc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)c2)nn1,RKVXCRZVEHPGFH-UHFFFAOYSA-N,3,1,0.309,64,27,449.453,3.85,6,0.403,0.73,1.0,0.08744260160372833,0.15934480159002123,0.42023336303200604,0.5039407854156672,0.2927403879103557
EOS-3-12981,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccncc4)n23)nc1,XXPZIRGVPRGOQD-UHFFFAOYSA-N,3,1,0.297,94,892,433.439,2.501,6,0.412,0.66,0.999,0.12038242752381605,0.05904324583647454,0.12569392091015008,0.1421424165581523,0.11181550270714824
EOS-3-12982,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncnc(-c5cccnc5)n4)n23)nc1,XRKAHJZRIYGTCZ-UHFFFAOYSA-N,3,1,0.402,33,62,426.4,1.111,5,0.416,0.67,0.999,0.42485093550819,0.15161743540538689,0.03829415393050511,0.01907854156671921,0.15846026660270027
EOS-3-12983,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cc1)N1CCC(F)C1,ZPPFHUWFRTWIOL-UHFFFAOYSA-N,3,1,0.312,62,376,465.492,4.099,6,0.397,0.77,1.0,0.0630182989514084,0.03093516551298746,0.09580392022479611,0.2661229525049688,0.11397008429854019
EOS-3-12984,Fc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(Cl)nn1,CYZRBGLFBTZDGP-UHFFFAOYSA-N,3,1,0.598,72,595,447.861,4.057,5,0.387,0.74,1.0,0.9368446302515249,0.9479216640394764,0.7372695497224316,0.7584983894181344,0.8451335583578918
EOS-3-12985,Cc1ncc(-c2cc(-c3nnc4cncc(COCc5ccc(F)c(F)c5)n34)ccn2)o1,YDBVPQLQHRKMGO-UHFFFAOYSA-N,3,1,0.632,14,81,434.406,4.145,5,0.397,0.81,1.0,0.6370622301418682,0.567850044548009,0.8072184908505243,0.7507281886094168,0.6907147385374546
EOS-3-12986,OCc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)c(F)c4F)n23)nc1,BKQWHYTXODIQKN-UHFFFAOYSA-N,3,1,0.364,96,46,433.393,4.43,5,0.454,0.75,1.0,0.35730073332876433,0.6210420807346995,0.9685679528476459,0.969493180727846,0.7291009869097389
EOS-3-12987,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)no1,UGVPECFRCPEGTL-UHFFFAOYSA-N,3,1,0.326,42,983,433.435,3.669,6,0.41,0.72,1.0,0.17521074635049003,0.15935336851483792,0.24751559180316635,0.2392999109039819,0.20534490439311903
EOS-3-12988,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)ccn1,XGXGLTOEYFEXMC-UHFFFAOYSA-N,3,1,0.538,35,76,443.898,4.227,5,0.388,0.78,1.0,0.8709906791857994,0.8806370365293674,0.5856349804674115,0.5668048797203755,0.7260168939757384
EOS-3-12989,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ncc(-c5cncnc5)cn4)n23)nc1,WNIIOTZJBIUKDK-UHFFFAOYSA-N,3,1,0.298,94,459,448.425,3.301,6,0.4,0.68,1.0,0.23367144129943115,0.3427797957645124,0.3353180042491947,0.38456925502021794,0.32408462408333905
EOS-3-12990,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)ccn1,LVZFZANGDCHVCI-UHFFFAOYSA-N,3,1,0.294,70,813,451.429,2.64,6,0.398,0.66,1.0,0.10968233842779795,0.17117572476183948,0.17497087245562332,0.2362672195188815,0.17302403879103556
EOS-3-12991,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nc1,IXPOOCPMXPJISD-UHFFFAOYSA-N,3,1,0.31,98,356,451.429,2.64,6,0.398,0.66,0.984,0.142407991227469,0.24727571790829964,0.15264546638338702,0.23338016585566446,0.19392733534370504
EOS-3-12992,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4)n23)c(F)c1,YPZAWSCTMIHMLP-UHFFFAOYSA-N,3,1,0.313,98,765,452.457,3.188,6,0.405,0.69,1.0,0.21437015968747858,0.2936741827153725,0.31313823589884177,0.3145003769446919,0.2839207388115962
EOS-3-12993,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nc4)n23)ccc1Cl,WGLHNKAESIQDMP-UHFFFAOYSA-N,3,1,0.59,73,401,433.834,4.015,5,0.413,0.72,1.0,0.9520252210266603,0.9673086148995956,0.747447056404633,0.7662428894524022,0.8582559454458227
EOS-3-12994,Cn1nncc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cnn1,SJGFRYDFMGTOPK-UHFFFAOYSA-N,3,1,0.282,98,725,432.451,3.106,6,0.418,0.67,1.0,0.044856418340072646,0.059051812761291206,0.3131468028236584,0.3554417106435474,0.19312418614214244
EOS-3-12995,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)nc2)c1,FPLBQHGRYXTLNT-UHFFFAOYSA-N,3,1,0.302,32,957,428.459,4.372,6,0.411,0.81,1.0,0.08506956342951134,0.09995031183606333,0.5888047426495785,0.6036769241313138,0.3443753855116167
EOS-3-12997,Cn1cc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)c2)nn1,JAAGTUFMBVFNRT-UHFFFAOYSA-N,3,1,0.552,43,250,426.415,3.177,5,0.425,0.72,1.0,0.7281629086423137,0.7314868754711809,0.7799157014598039,0.7455794667945994,0.7462862380919746
EOS-3-12998,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5cnc(C(C)(C)O)nc5)n34)cn2)nn1,SZOGZFJEEDPOGG-UHFFFAOYSA-N,3,1,0.26,50,845,427.432,1.426,5,0.443,0.67,1.0,0.12592522788020014,0.04764066890548969,0.031611952573504215,0.008823932561167843,0.05350044548009047
EOS-3-13000,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)nc1,DWVLEHBQEKVZGG-UHFFFAOYSA-N,3,1,0.269,94,557,430.435,3.162,6,0.415,0.69,1.0,0.1510006168185868,0.11579912274689877,0.16832293879788912,0.1952830511959427,0.15760143238982935
EOS-3-13001,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnn6)n5)n34)nc2)cc1,NFSHEEHLKHINST-UHFFFAOYSA-N,3,1,0.273,30,301,430.435,3.162,6,0.415,0.69,0.574,0.08291926530052772,0.08447844561716127,0.1715184017545062,0.2569906106504009,0.14897668083064902
EOS-3-13002,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,MHYNTNUKUUKCJV-UHFFFAOYSA-N,3,1,0.378,53,602,445.874,3.017,5,0.388,0.69,0.994,0.4864556918648482,0.5080871770269344,0.17152696867932288,0.20701117126996094,0.3432702522102666
EOS-3-13003,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nc2)[nH]1,HFVYECWACBETOS-UHFFFAOYSA-N,3,1,0.318,94,515,449.453,4.148,6,0.43,0.73,0.749,0.27929031594818726,0.37160749777259955,0.5089524364334178,0.5341905969433213,0.4235102117743814
EOS-3-13004,CONC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnco5)nc4)n23)cn1,ZEBOSWIWRDSQHV-UHFFFAOYSA-N,3,1,0.506,55,879,444.411,2.106,5,0.371,0.72,1.0,0.46423308889041187,0.14765951614008635,0.2014598039887602,0.08986704132684531,0.22580486258652593
EOS-3-13005,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnnc(-c5ccc(F)nc5)c4)n23)cc1,VTXFCXLWRSCXTD-UHFFFAOYSA-N,3,1,0.364,14,357,454.469,3.123,5,0.393,0.66,1.0,0.15902782537180454,0.15936193543965457,0.39139709409910217,0.3018041943663902,0.2528977623192379
EOS-3-13006,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccn5)n4)n23)nc1,ODKQDCYNBFXLJH-UHFFFAOYSA-N,3,1,0.333,76,368,431.463,3.711,6,0.419,0.69,0.999,0.06856109930779247,0.03409636077033788,0.3131553697484751,0.30181276129120693,0.1794063977794531
EOS-3-13007,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncn5)cn4)n23)cc1F,MKOIUPACNIJLER-UHFFFAOYSA-N,3,1,0.552,4,675,424.399,3.233,5,0.422,0.73,1.0,0.8369114522650949,0.8278904804331437,0.782134534987321,0.7190819683366458,0.7915046090055513
EOS-3-13008,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)c(F)c1,JGQIBWSFBORZMQ-UHFFFAOYSA-N,3,1,0.338,98,882,453.445,2.583,6,0.4,0.66,1.0,0.23663559728599823,0.3084435610993078,0.1811304913988075,0.19529161812075937,0.23037531697621821
EOS-3-13009,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)n1,XZXFJXJMLMPGLH-UHFFFAOYSA-N,3,1,0.304,99,890,437.431,1.234,6,0.395,0.67,1.0,0.087451168528545,0.047649235830306357,0.01841888835583579,0.01794770749091906,0.04286675005140155
EOS-3-13010,NC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccnc(-c6ccon6)n5)n4)n23)cc1,TVWQXTNQCNHOKR-UHFFFAOYSA-N,3,1,0.361,32,557,462.433,2.459,6,0.402,0.68,0.996,0.1564577479268042,0.0512559111781235,0.09581248714961277,0.07169659379069289,0.09380568501130833
EOS-3-13011,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)nc5)n34)cc2)n1C,MIYVTCIMBKPIRW-UHFFFAOYSA-N,3,1,0.303,38,725,447.506,3.963,6,0.406,0.74,1.0,0.12039099444863272,0.0667192104722089,0.365148036460832,0.2837536837776712,0.20900298128983621
EOS-3-13012,Cn1c(-c2cc(F)cc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,CBBONNNZKXHEKY-UHFFFAOYSA-N,3,1,0.354,8,311,457.408,2.712,6,0.428,0.66,0.981,0.15646631485162085,0.3084521280241245,0.21220272770886162,0.3175245014049757,0.24866141799739566
EOS-3-13013,CNC(=O)c1ccc(-c2nnc3cncc(Oc4nnc(-c5ccon5)cc4F)n23)nc1,LEVYKKAZBGGYCO-UHFFFAOYSA-N,3,1,0.372,33,760,433.363,1.922,5,0.436,0.61,0.989,0.49889486669864985,0.352383318483997,0.10610993077924748,0.0630182989514084,0.2551016037283257
EOS-3-13014,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)c1,QRDQRFKBPIQESO-UHFFFAOYSA-N,3,1,0.293,38,725,421.424,3.304,6,0.426,0.75,1.0,0.16713213624837228,0.09995887876088,0.3424371187718457,0.2987972037557398,0.22708133438420944
EOS-3-13015,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cn1,YTSAUCOSEYBLOK-UHFFFAOYSA-N,3,1,0.288,98,213,447.466,2.809,6,0.401,0.67,1.0,0.06654787197587554,0.06672777739702557,0.08650023987389487,0.09989034336234665,0.07991655815228565
EOS-3-13017,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)cc1,OERKCAUVKOFAPI-UHFFFAOYSA-N,3,1,0.297,98,642,434.467,3.049,6,0.42,0.66,1.0,0.06127921321362484,0.04765780275512302,0.24045644575423206,0.21603214310191213,0.141356401206223
EOS-3-13018,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)nn5C)cnn4)n23)cc1,UEMANIQINIKWGG-UHFFFAOYSA-N,3,1,0.452,89,926,455.482,2.229,5,0.413,0.68,1.0,0.32383832499485987,0.15937050236447126,0.1555496538962374,0.060062709889658006,0.17470529778630664
EOS-3-13019,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nn4)n23)nc1,JRZSNRPHVABBTF-UHFFFAOYSA-N,3,1,0.261,99,813,435.455,2.444,6,0.414,0.68,1.0,0.03089233088890412,0.01911280926598588,0.1284010691522171,0.11061613323281475,0.07225558563498047
EOS-3-13020,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)ccn2)nn1,HZGLJMYHUOCLBR-UHFFFAOYSA-N,3,1,0.27,70,968,435.455,2.444,6,0.414,0.68,1.0,0.04930265231992324,0.04394832430950586,0.14052326776780208,0.12465732300733329,0.08960789185114112
EOS-3-13021,Cn1nnnc1-c1ncccc1-c1cncc2nnc(-c3ccc(-c4ncc(F)cn4)cc3)n12,HEALCAFLQHFXKT-UHFFFAOYSA-N,3,1,0.313,98,213,451.429,2.64,6,0.398,0.65,1.0,0.20074874922897676,0.24218696456719896,0.11734116921389898,0.17073024467137277,0.18275178192036184
EOS-3-13022,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccncc5)c4)n23)nc1,NDXUCKDQBANQTD-UHFFFAOYSA-N,3,1,0.257,70,151,420.44,2.834,6,0.432,0.74,1.0,0.0007795901583167706,0.008618326365567816,0.2949420875882393,0.26613151942978547,0.14261788088547733
EOS-3-13023,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccncc6)no5)n34)cn2)n1C,QENNDBRMGHOPSZ-UHFFFAOYSA-N,3,1,0.321,86,812,436.439,3.007,6,0.41,0.68,1.0,0.25278425056541703,0.1261137002261668,0.08421287094784456,0.06982043725584264,0.13323281474881776
EOS-3-13024,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)nn6)cn5)n34)cc2)no1,MDEITBDVWKCKGH-UHFFFAOYSA-N,3,1,0.289,38,42,436.439,3.007,6,0.41,0.68,1.0,0.07065999588787608,0.08448701254197793,0.13751627715715167,0.11782948392844904,0.10262319237886369
EOS-3-13025,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1F,VAVBTBKVWKQFDM-UHFFFAOYSA-N,3,1,0.333,74,768,416.38,1.532,5,0.45,0.79,1.0,0.20907580015077787,0.22710060996504694,0.15877938455212118,0.14215098348296895,0.18427669453772874
EOS-3-13026,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cn2)c1,ZVFJPVVUCMVLJA-UHFFFAOYSA-N,3,1,0.277,32,945,443.474,4.076,6,0.401,0.74,0.987,0.1232437804125831,0.09996744568569667,0.47752038928106366,0.46973305462271264,0.292616167500514
EOS-3-13027,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cn1,IWVPIITUYNZJIS-UHFFFAOYSA-N,3,1,0.675,84,73,431.887,3.862,5,0.406,0.76,1.0,0.6117298334589816,0.7083647453909945,0.5362295250496881,0.5537488862997738,0.6025182475498595
EOS-3-13028,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)c2)nn1,VWLPRBDYHGRWBH-UHFFFAOYSA-N,3,1,0.293,42,327,432.451,3.106,6,0.418,0.68,1.0,0.05247241450209033,0.02572647522445343,0.2803954492495374,0.28070385854293745,0.15982454937975465
EOS-3-13029,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nn1,NNCYIPGCHVHWQT-UHFFFAOYSA-N,3,1,0.301,76,14,432.451,3.106,6,0.418,0.68,1.0,0.08745973545336166,0.06673634432184224,0.19106812418614214,0.1980758686861764,0.13583501816188062
EOS-3-13030,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)cc1,UBRIOBABUDTTIX-UHFFFAOYSA-N,3,1,0.338,25,508,450.441,3.245,6,0.402,0.67,1.0,0.23368000822424784,0.25227880200123365,0.4674199849222123,0.517279487355219,0.3676645706257282
EOS-3-13031,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)[nH]4)n23)cn1,PQSLNTJNTJWNMK-UHFFFAOYSA-N,3,1,0.33,10,407,454.885,3.692,6,0.431,0.73,0.501,0.14241655815228565,0.23678980193269825,0.2768230416009869,0.3845778219450346,0.26015180590775133
EOS-3-13032,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)c(F)c4)n23)cc1,ZGKSIGPGKXTPFQ-UHFFFAOYSA-N,3,1,0.541,16,89,431.406,3.809,5,0.418,0.7,1.0,0.9157614282777055,0.8124957165375917,0.7038842437118772,0.6593191008155712,0.7728651223356864
EOS-3-13033,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnnc(-c5cccnn5)n4)n23)c1,GYRVUNXTORDRLI-UHFFFAOYSA-N,3,1,0.31,39,972,449.413,2.696,6,0.395,0.67,0.37,0.22260297443629634,0.262430607908985,0.1284096360770338,0.23627578644369818,0.21242975121650332
EOS-3-13034,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)cn1,NBDVGDKQWHJBRY-UHFFFAOYSA-N,3,1,0.313,98,765,453.445,2.583,6,0.4,0.67,1.0,0.19803303406209308,0.2777654033308204,0.18766705503392503,0.21317079021314508,0.2191590706599959
EOS-3-13035,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cc2)n1,RSDFRGFSWKKIKG-UHFFFAOYSA-N,3,1,0.318,25,791,463.48,4.158,6,0.387,0.77,1.0,0.20908436707559455,0.3188266739771092,0.48466520457816464,0.507170516071551,0.3799366904256048
EOS-3-13036,Cc1nc(-c2ccc(-c3nnc4cncc(COc5ccnc(C)c5F)n34)cn2)cs1,NPLYCPNLAGTADA-UHFFFAOYSA-N,3,1,0.379,85,767,433.472,4.04,5,0.413,0.76,1.0,0.45719964361592763,0.5444709067233225,0.3687975464327325,0.27170858748543625,0.4105441710643547
EOS-3-13037,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)cc1F,VGJRXICEHHAICS-UHFFFAOYSA-N,3,1,0.261,94,871,454.404,3.169,6,0.399,0.67,0.478,0.027379891714070317,0.1593790692892879,0.5497138647111233,0.6036854910561305,0.335039579192653
EOS-3-13038,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cn1,LGMVYMUBUQKCPO-UHFFFAOYSA-N,3,1,0.275,99,286,423.404,1.019,6,0.403,0.72,1.0,0.00492598176958399,0.017467959701185663,0.03684634363648825,0.03981906654787198,0.02476483791378247
EOS-3-13039,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)cc3Cl)n12,DLYUGCPUQLWTHY-UHFFFAOYSA-N,3,1,0.552,37,0,445.914,4.17,5,0.39,0.8,1.0,0.43615070934137484,0.5973716674662464,0.39888458638886987,0.42563909259132343,0.4645115139469536
EOS-3-13040,c1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)nc1,CJNJEHWGWMVFMA-UHFFFAOYSA-N,3,1,0.299,32,557,429.447,3.767,6,0.417,0.69,1.0,0.1152594064834487,0.11289493523404838,0.30941162360359126,0.3235299157014598,0.21527397025563705
EOS-3-13041,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,ZQJYDZOISMFPRE-UHFFFAOYSA-N,3,1,0.292,30,934,445.49,4.194,6,0.392,0.78,0.998,0.043382907271605785,0.02814234802275375,0.11131862106778151,0.2070197381947776,0.09746590363922966
EOS-3-13042,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)c(F)c1,NLCBVCCQWLHMAP-UHFFFAOYSA-N,3,1,0.357,25,219,468.431,3.384,6,0.387,0.73,0.983,0.2445685696662326,0.35742067027619767,0.467428551847029,0.5795524638475773,0.4122425639092591
EOS-3-13043,Cn1nccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nn1,RPIHRGVJISVHJE-UHFFFAOYSA-N,3,1,0.348,8,890,437.431,1.234,6,0.395,0.64,1.0,0.06302686587622507,0.043956891234322525,0.013381536563635117,0.012876087999451717,0.033310345418408605
EOS-3-13044,Cc1ccc(-c2nnc3cncc(Cn4ccc(OCc5cccc(Cl)n5)n4)n23)cn1,LECSWPDRMRTSRT-UHFFFAOYSA-N,3,1,0.368,4,205,432.875,3.367,5,0.379,0.77,1.0,0.23098999383181412,0.3668357206497156,0.2768316085258036,0.26887293537111917,0.28588256459461314
EOS-3-13045,Cn1c(F)nnc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)n1,LFAXGBCDHCQVHJ-UHFFFAOYSA-N,3,1,0.472,36,51,453.388,3.033,5,0.386,0.71,1.0,0.6943663902405592,0.6987355218970598,0.4202419299568227,0.41299431156192173,0.5565845384140908
EOS-3-13046,COCc1ccc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)n4)n23)cn1,SJMGRGJGGOTIOK-UHFFFAOYSA-N,3,1,0.542,68,127,416.363,3.326,4,0.476,0.79,1.0,0.7838564868754712,0.7670567473099856,0.9093705023644713,0.7325063395243643,0.798197519018573
EOS-3-13047,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)cs4)n23)cc1,DZEUQWLCJACBSH-UHFFFAOYSA-N,3,1,0.484,62,347,468.542,4.386,6,0.381,0.87,1.0,0.4154615859091221,0.2216863134809129,0.15265403330820368,0.189962990884792,0.24494123089575767
EOS-3-13048,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4F)n23)nc1,OFDPQQVXWONOSZ-UHFFFAOYSA-N,3,1,0.333,42,977,439.414,3.443,6,0.411,0.7,1.0,0.3188866424508259,0.3716160646974162,0.3914056610239188,0.3845863888698513,0.3666236892605031
EOS-3-13049,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnncc4-c4ccc(F)cc4)n23)cn1,LVSUUTWLYQJJNU-UHFFFAOYSA-N,3,1,0.333,98,314,450.441,3.245,6,0.402,0.68,0.957,0.22550716194914674,0.3084606949489411,0.3952008087177027,0.45096292234939345,0.345032896991296
EOS-3-13050,Cc1ccnc(COc2cncc3nnc(-c4cncc(-c5cncc(Cl)c5)c4)n23)n1,IZAWMEBWTUTEDK-UHFFFAOYSA-N,3,1,0.433,2,419,430.859,3.579,5,0.416,0.72,1.0,0.55010794325269,0.6018864368446303,0.40244842711260365,0.42253786580768965,0.4942451682544034
EOS-3-13051,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(Cl)c2)no1,NOUXOKUMGQAWNX-UHFFFAOYSA-N,3,1,0.541,20,795,434.847,3.215,5,0.397,0.76,1.0,0.5917431978616956,0.6888664245082585,0.12841820300185045,0.157571448152971,0.3916498183811939
EOS-3-13052,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccn5)n4)n23)c(F)c1,JIPACMQSGCALDY-UHFFFAOYSA-N,3,1,0.31,98,882,439.418,2.369,6,0.411,0.66,1.0,0.020817627304502775,0.19273010760057568,0.13427797957645124,0.16801452950448906,0.12896006099650467
EOS-3-13053,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)nc2)c1,OCQZFBBUIJMWFD-UHFFFAOYSA-N,3,1,0.297,70,392,419.412,2.49,6,0.457,0.72,1.0,0.06471455006510862,0.10329141251456377,0.1945891302857926,0.23628435336851483,0.14971986155849495
EOS-3-13054,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1,QBNXXZVRKGZOAF-UHFFFAOYSA-N,3,1,0.341,25,508,466.896,3.759,6,0.386,0.77,1.0,0.21437872661229526,0.26243917483380164,0.3541309711465972,0.44793879788910973,0.319721917620451
EOS-3-13055,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1,WUMMTLZTUFWIMR-UHFFFAOYSA-N,3,1,0.341,25,508,466.896,3.759,6,0.386,0.77,1.0,0.21438729353711192,0.26244774175861835,0.3541395380714139,0.4479473648139264,0.31973048454526765
EOS-3-13056,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5C)nc(C)n4)n23)nc1,SOHPOYSDPUYBNH-UHFFFAOYSA-N,3,1,0.4,33,53,467.493,2.594,5,0.4,0.69,0.997,0.30090466726064014,0.09997601261051332,0.09582105407442944,0.03104653553560414,0.13193706737029676
EOS-3-13057,OCc1cc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)ccn1,SNPUDGONCFWTSX-UHFFFAOYSA-N,3,1,0.436,2,419,445.87,3.368,5,0.423,0.71,1.0,0.5189414707696526,0.54943972311699,0.6987783565211432,0.6739342745528065,0.6102734562401481
EOS-3-13058,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(F)c5)c4)n23)nc1,JVOZHJDPLCVTQT-UHFFFAOYSA-N,3,1,0.392,46,348,442.414,2.46,5,0.396,0.68,1.0,0.5717651291892263,0.2676478651223357,0.42764375299842367,0.3332191076691111,0.4000689637447742
EOS-3-13059,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)nc1,LMVVWTXCDBDLRU-UHFFFAOYSA-N,3,1,0.375,93,74,448.465,4.455,6,0.396,0.79,1.0,0.11801795627441573,0.31361798368857513,0.6960540744294428,0.7352134877664314,0.4657258755397163
EOS-3-13060,Cn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,BTVCJJXCNJMFIK-UHFFFAOYSA-N,3,1,0.372,30,220,448.465,4.455,6,0.396,0.79,1.0,0.1752193132753067,0.38576862449455146,0.4060893701596875,0.5172880542800357,0.37109134055239534
EOS-3-13061,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)cc1,ZQYXCTACCPFYQS-UHFFFAOYSA-N,3,1,0.764,91,660,428.883,4.523,5,0.395,0.81,1.0,0.9729627852785964,0.9758926735658968,0.7799242683846207,0.7899133027208554,0.8796732574874923
EOS-3-13062,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)cc5)n4)n23)cc1,QPSRJKFZNXUDBK-UHFFFAOYSA-N,3,1,0.432,67,642,466.896,3.759,6,0.386,0.75,1.0,0.25787300390651774,0.4095418408608046,0.2878915084641217,0.38459495579466796,0.334975327256528
EOS-3-13063,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,FFGBUJHONRZYII-UHFFFAOYSA-N,3,1,0.523,72,799,433.834,4.015,5,0.413,0.75,1.0,0.7669368103625522,0.8314114865327942,0.6686570488657392,0.7163491193201289,0.7458386162703037
EOS-3-13064,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cn1,TTWQXKQCLJGMNI-UHFFFAOYSA-N,3,1,0.329,30,945,430.475,4.316,6,0.414,0.77,1.0,0.05091323418545679,0.059060379686107875,0.5465098348296895,0.5341991638681379,0.29767065314234803
EOS-3-13066,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)nc2)c1,DFKQXQINYFLYBH-UHFFFAOYSA-N,3,1,0.329,94,72,447.437,3.906,6,0.4,0.72,1.0,0.20628298266054418,0.347611541361113,0.5888133095743951,0.6366852854499349,0.44484827976149677
EOS-3-13067,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)nc1,PATZTBXLULNIDB-UHFFFAOYSA-N,3,1,0.337,32,977,447.437,3.906,6,0.4,0.72,1.0,0.3264598039887602,0.3574292372010143,0.4165410184360222,0.43531971763415805,0.38393744431498866
EOS-3-13068,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cncnc5)n34)c(F)c2)n1,ZJJFWHZULQUVLH-UHFFFAOYSA-N,3,1,0.276,86,972,452.417,2.035,6,0.39,0.66,0.999,0.16178637516277158,0.21153450757316153,0.10888561441984786,0.15471866218902064,0.15923128983620038
EOS-3-13069,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cocn5)c4)n23)cc1,ZXJTVNRPAZTIKE-UHFFFAOYSA-N,3,1,0.479,89,656,469.461,2.549,6,0.382,0.79,1.0,0.4594955794667946,0.11290350215886505,0.3353265711740114,0.22749468850661367,0.28380508532657117
EOS-3-13070,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccncn5)n4)n23)cc1,FDRPTEHXDSVLLS-UHFFFAOYSA-N,3,1,0.556,24,335,416.832,3.271,5,0.43,0.78,1.0,0.9263501473511069,0.9445976972106093,0.3728668357206497,0.4288602563223905,0.6681687341511892
EOS-3-13071,COc1ncc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,SWVJMLFGLIKLKV-UHFFFAOYSA-N,3,1,0.565,35,300,443.442,3.413,5,0.377,0.74,1.0,0.9427815091494757,0.8753169762182167,0.40609793708450415,0.3052223973682407,0.6323547049551093
EOS-3-13072,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5nnc(F)s5)n4)n23)cc1,JEXIHFCSEONHAR-UHFFFAOYSA-N,3,1,0.516,89,731,449.431,1.917,5,0.41,0.65,1.0,0.6428020697690358,0.4003409636077034,0.062538551161675,0.04105270372147214,0.2866835720649715
EOS-3-13073,Cc1cc(OCc2cncc3nnc(-c4cc(Cl)cc(-c5cccnn5)c4)n23)ccn1,IGCAGICIIYEXJQ-UHFFFAOYSA-N,3,1,0.382,14,189,429.871,4.184,5,0.413,0.77,1.0,0.3687033102597492,0.4278236584195737,0.6466743197861695,0.6304571311082174,0.5184146048934275
EOS-3-13074,Cn1ncc(-c2ccccc2)c1-c1nnc2cncc(-c3ncn(-c4ccccc4F)n3)n12,VDOYWTQHUSNVTP-UHFFFAOYSA-N,3,1,0.295,30,298,437.442,3.579,6,0.419,0.69,0.574,0.0007881570831334384,0.055179562744157355,0.25475464327325065,0.3846035227194846,0.17383147145500652
EOS-3-13075,Cn1cnnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,GYZYOCOJEHEABQ-UHFFFAOYSA-N,3,1,0.489,36,51,452.4,3.638,5,0.388,0.74,1.0,0.7695240216571859,0.7839592899732712,0.8115876225070249,0.735222054691248,0.7750732472071826
EOS-3-13076,Clc1ccc2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cnc2c1,VFBXFDVXSNFTLD-UHFFFAOYSA-N,3,1,0.305,42,327,436.866,4.512,6,0.402,0.77,1.0,0.31129634706325815,0.44991775752176,0.6579912274689877,0.7455880337194161,0.5411983414433554
EOS-3-13077,Fc1cc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)cn2)ccn1,PUDMYWNOBGLWOM-UHFFFAOYSA-N,3,1,0.313,86,780,437.402,2.425,6,0.382,0.68,1.0,0.006733602905900898,0.09685765197724625,0.3278219450346104,0.33322767459392777,0.19116021862792132
EOS-3-13078,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccncc5-c5cccc(F)c5)n34)nc2)nn1,YHFDLYVWAXDVSO-UHFFFAOYSA-N,3,1,0.337,42,572,449.453,3.85,6,0.403,0.71,0.984,0.1180265231992324,0.20671989582619424,0.5497224316359399,0.5919316702076622,0.36660013021725724
EOS-3-13079,N#Cc1ccc(COc2cncc3nnc(-c4cncc(-c5cc(F)cnc5F)c4)n23)nc1,MNWXSJDNXYGOLY-UHFFFAOYSA-N,3,1,0.495,2,419,442.389,3.372,5,0.381,0.77,1.0,0.6855253238297581,0.7035501336440272,0.84970187101638,0.8202059488725927,0.7647458193406894
EOS-3-13080,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)nc2)n1C,BCSZRDIYOLJWAF-UHFFFAOYSA-N,3,1,0.352,42,321,445.49,4.019,6,0.404,0.73,1.0,0.15367349736138716,0.08097457336714413,0.26537763004591874,0.24219553149201561,0.1855553080666164
EOS-3-13081,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccc5F)c4)n23)cc1,VNPXIXQDGCAQQR-UHFFFAOYSA-N,3,1,0.534,97,91,423.411,3.838,5,0.423,0.76,1.0,0.9657237338085121,0.9159156329244055,0.844724487697896,0.8241553012130766,0.8876297889109726
EOS-3-13082,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)cn2)n1,XXCHIGTZKLSPLH-UHFFFAOYSA-N,3,1,0.337,94,507,452.417,2.035,6,0.39,0.67,0.997,0.172503598108423,0.2472842848331163,0.07934685765197724,0.13994071688026866,0.15976886436844628
EOS-3-13083,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,FQXJKDVZLZXQNL-UHFFFAOYSA-N,3,1,0.511,87,699,447.861,4.057,5,0.387,0.77,1.0,0.8342385717222945,0.9077941881982043,0.6435730930025358,0.6858337331231581,0.7678598965115482
EOS-3-13084,c1cnnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)c1,SBXHSPKSLHKUFT-UHFFFAOYSA-N,3,1,0.283,70,957,430.435,3.162,6,0.415,0.7,1.0,0.08292783222534439,0.09059522993626208,0.27684017545062023,0.30523096429305735,0.188898550476321
EOS-3-13085,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)nn1,PNXSKFKGHQQZLK-UHFFFAOYSA-N,3,1,0.512,51,446,454.281,3.263,5,0.398,0.73,1.0,0.4043331505722706,0.6740028099513399,0.36880611335754915,0.4786597902816805,0.48145046604071
EOS-3-13086,COc1cc(-c2nn[nH]n2)ncc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,OQTGJWYJSOFRDI-UHFFFAOYSA-N,3,1,0.298,70,899,449.438,2.499,6,0.416,0.65,0.997,0.1897745185388253,0.12612226715098349,0.19805873483654307,0.17073881159618942,0.17117358303063532
EOS-3-13087,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cncc(C(F)F)c5)nn4)n23)nc1,ZWBIALZTPHRFER-UHFFFAOYSA-N,3,1,0.266,33,432,448.397,2.126,5,0.433,0.61,0.995,0.027388458638886986,0.0938078267425125,0.38790178877390175,0.3018213282160236,0.20272985059283122
EOS-3-13089,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)ncc1Cl,YREINVWEIINGBP-UHFFFAOYSA-N,3,1,0.494,46,267,433.834,4.015,5,0.413,0.73,1.0,0.6517887739017202,0.7176170241929957,0.7012370639435268,0.7242906586251799,0.6987333801658557
EOS-3-13090,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)ccn1,XGQBAHFRAAYXOR-UHFFFAOYSA-N,3,1,0.333,41,818,428.459,4.372,6,0.411,0.8,1.0,0.11803509012404907,0.14033479542183538,0.6824497978205744,0.6830837502570077,0.40597585840586664
EOS-3-13092,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)o5)n34)nc2)nc1,RDOPUIUQEUEMBZ-UHFFFAOYSA-N,3,1,0.292,30,541,432.447,4.274,6,0.406,0.8,0.996,0.1072493317798643,0.09060379686107875,0.25820711397436774,0.2778339387293537,0.1834735453361661
EOS-3-13093,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCc5nccs5)n34)cn2)nc1C,WADVNOPFNKDTOI-UHFFFAOYSA-N,3,1,0.549,7,464,430.497,3.604,5,0.417,0.74,1.0,0.33397299705297784,0.3281474881776438,0.03422486464258789,0.018495990679185798,0.17871033513809884
EOS-3-13094,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cn1,PLRKWVRLNUZSKG-UHFFFAOYSA-N,3,1,0.289,99,286,436.443,1.839,6,0.406,0.65,0.999,0.08746830237817833,0.043965458159139194,0.03965629497635529,0.03864539784798848,0.052433863340415325
EOS-3-13095,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)nc1,RZZPZWULRNTJFD-UHFFFAOYSA-N,3,1,0.25,99,813,436.443,1.839,6,0.406,0.65,1.0,0.06655643890069221,0.055188129668974024,0.05487972037557398,0.054142964841340555,0.05769181344664519
EOS-3-13096,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cc(Cl)ccn5)n4)n23)cc1,OJDNYPADEGMSBL-UHFFFAOYSA-N,3,1,0.479,89,731,472.896,3.235,5,0.4,0.72,1.0,0.5551538619697074,0.5036837776711671,0.31316393667329173,0.2539493523404839,0.4064877321636625
EOS-3-13097,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccncn1,QSACGEDFDATTQB-UHFFFAOYSA-N,3,1,0.5,4,208,434.822,3.41,5,0.414,0.68,1.0,0.8318826673977109,0.8278990473579604,0.6168271537248989,0.6453121787403193,0.7304802618052224
EOS-3-13098,CNC(=O)c1ccc(-c2nnc3cncc(COCc4ccc(-c5cnccn5)nc4)n23)c(F)c1,TUVGDQFSAZKFTJ-UHFFFAOYSA-N,3,1,0.465,85,357,470.468,2.859,5,0.386,0.75,1.0,0.3825388938386677,0.3326879583304777,0.4533445274484271,0.3268110479062436,0.37384560688095403
EOS-3-13099,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)cn5)cnn4)n23)cc1,FOINWNSUBJMANG-UHFFFAOYSA-N,3,1,0.562,73,82,451.277,3.924,5,0.396,0.71,1.0,0.697339113151943,0.9251250771023234,0.5161572202042355,0.6394866698649853,0.6945270200808717
EOS-3-13100,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc(C)s5)cn4)n23)c(Cl)c1,BSDDSTPADNQJQE-UHFFFAOYSA-N,3,1,0.365,74,768,462.926,3.693,5,0.433,0.67,1.0,0.1479165238845864,0.2367983688575149,0.20855321773696114,0.20101432389829346,0.19857060859433898
EOS-3-13101,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)n1,YSBDCGAAQONXMV-UHFFFAOYSA-N,3,1,0.259,76,387,432.451,3.106,6,0.418,0.69,0.69,0.07066856281269275,0.013115961894318415,0.11132718799259818,0.16802309642930574,0.09078370228222878
EOS-3-13102,Cn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,HUZIFRTXXOAYMY-UHFFFAOYSA-N,3,1,0.311,8,474,432.451,3.106,6,0.418,0.69,0.686,0.08293639915016106,0.04766636967993969,0.07065999588787608,0.13761908025495168,0.08472046124323213
EOS-3-13103,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncc(Cl)n5)nn4)n23)nc1,BZOPDJYTHKVZIN-UHFFFAOYSA-N,3,1,0.297,50,432,445.834,1.508,5,0.431,0.61,0.497,0.17819203618669044,0.1593876362141046,0.04112980604482215,0.046244260160372835,0.10623843465149749
EOS-3-13104,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(C5CCCN5C(=O)CC#N)n4)n23)cn1,RVMRAUYCEFDNTH-UHFFFAOYSA-N,3,1,0.275,63,66,469.469,0.975,5,0.444,0.66,0.991,0.07865293674182715,0.037009115208004935,0.0007795901583167706,0.000359810842300048,0.02920036323761223
EOS-3-13105,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)nc5)n34)nc2)n1,RJZKKVICANCEHZ-UHFFFAOYSA-N,3,1,0.309,99,968,436.443,1.839,6,0.406,0.66,1.0,0.08294496607497773,0.04397402508395586,0.060516756904941404,0.05278939072030704,0.060056284696045514
EOS-3-13106,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)nc2)nn1,FLOXAROPCHZXCY-UHFFFAOYSA-N,3,1,0.279,99,286,436.443,1.839,6,0.406,0.66,0.995,0.043391474196422454,0.0257350421492701,0.05848639572339113,0.05415153176615722,0.045441110958810225
EOS-3-13107,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)n5)n34)cc2)n1,CLQPAWTZNNUZOH-UHFFFAOYSA-N,3,1,0.303,98,746,436.443,1.839,6,0.406,0.66,1.0,0.10478205743266397,0.09061236378589542,0.02940168597080392,0.031055102460420807,0.06396280241244602
EOS-3-13108,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5F)n4)n23)nc1,XEHHDYHKGPQHPA-UHFFFAOYSA-N,3,1,0.345,10,136,450.441,3.245,6,0.402,0.69,0.993,0.09966760331711329,0.2318552532382976,0.27266808306490303,0.305239531217874,0.227357617709547
EOS-3-13109,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccccn5)nn4)n23)cc1,HROWYITWIWTVEP-UHFFFAOYSA-N,3,1,0.318,10,507,436.414,3.03,6,0.414,0.67,0.947,0.017022479610718937,0.14766808306490303,0.2913868137893222,0.3913114248509355,0.21184720032896992
EOS-3-13110,COCCOCc1cncc2nnc(-c3ccc(OCc4ccc(Cl)cc4)cc3)n12,LUMAFDLIKRIXMS-UHFFFAOYSA-N,3,1,0.593,48,576,424.888,4.187,4,0.375,0.87,1.0,0.7369697073538483,0.6987440888218766,0.7843705023644713,0.7482609142622164,0.7420863032006031
EOS-3-13111,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)[nH]2)cc1,SBOYLXYIFMDUNY-UHFFFAOYSA-N,3,1,0.387,3,50,435.426,3.84,6,0.448,0.71,1.0,0.24753272565279968,0.37162463162223286,0.5565759714892742,0.6247429922555,0.4501190802549516
EOS-3-13112,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)nn1,DOSNDTYCDAYCDN-UHFFFAOYSA-N,3,1,0.483,53,241,431.847,2.974,5,0.413,0.67,1.0,0.4572082105407443,0.5262918922623535,0.21541532451511206,0.22429922554999657,0.3558036632170516
EOS-3-13113,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(OCC(F)(F)F)cc3)n12,AYCMBOULKMBYGJ-UHFFFAOYSA-N,3,1,0.451,61,121,451.412,4.195,5,0.398,0.79,1.0,0.3386933726269618,0.44105955726132545,0.7993197861695566,0.7190905352614625,0.5745408128298266
EOS-3-13114,Cn1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1-c1cncc(F)c1,FXAGHWUEAWHFKN-UHFFFAOYSA-N,3,1,0.419,7,694,437.826,2.748,5,0.413,0.7,0.768,0.34818552532382974,0.3812195874169008,0.33165992735247757,0.38153656363511756,0.36065040093208145
EOS-3-13115,Clc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)c1,RAHUBGIZVGGKJQ-UHFFFAOYSA-N,3,1,0.57,75,496,429.871,3.918,5,0.404,0.73,1.0,0.7549688163936673,0.8125042834624083,0.5327941881982043,0.5762798985676102,0.6691367966554724
EOS-3-13116,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cc2)c1,FNDYQJSLZGEDPK-UHFFFAOYSA-N,3,1,0.297,38,170,429.447,3.767,6,0.417,0.74,1.0,0.13429511342608458,0.11908025495168255,0.5260948529915701,0.5205863203344527,0.3250141354259475
EOS-3-13117,CC(F)(F)CCc1ccc(COc2cncc3nnc(-c4ccc(CO)cn4)n23)cn1,XMIOYOUUUHQCQP-UHFFFAOYSA-N,3,1,0.472,68,457,426.427,3.24,4,0.462,0.7,0.837,0.5772479610718936,0.3857771914193681,0.7372781166472483,0.557227057775341,0.5643825817284628
EOS-3-13118,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncs5)n4)n23)cc1,GOPRBORABHMUPH-UHFFFAOYSA-N,3,1,0.495,89,731,461.482,3.388,5,0.413,0.71,1.0,0.5396048934274553,0.4544496607497773,0.37287540264546637,0.259851963539168,0.40669548009046674
EOS-3-13119,COc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,JFZBGHKPWVZFTJ-UHFFFAOYSA-N,3,1,0.311,32,154,447.462,3.709,6,0.425,0.72,1.0,0.2336885751490645,0.10983654307449797,0.3988931533136865,0.32681961483106026,0.2673094715920773
EOS-3-13120,COc1ccc(-c2nnc3cncc(-c4c(F)cc(F)cc4OC4CCCC4)n23)cn1,IQLXWXAQTCOOKA-UHFFFAOYSA-N,3,1,0.326,78,169,423.423,4.462,5,0.472,0.81,1.0,0.5064423274621342,0.5494482900418066,0.36881468028236586,0.5270029470221369,0.4879270612021109
EOS-3-13121,Cc1ccnc(-c2cncc(COc3cncc4nnc(-c5cncc(Cl)c5)n34)n2)n1,KIUVEIXZWKRHAW-UHFFFAOYSA-N,3,1,0.441,7,535,431.847,2.974,5,0.413,0.66,1.0,0.48396271674319785,0.5829963676238777,0.17497943938044,0.20423548762936056,0.36154350284421904
EOS-3-13122,Fc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)ccn1,LWLACVVXXRDOKX-UHFFFAOYSA-N,3,1,0.317,30,158,436.414,3.03,6,0.388,0.7,1.0,0.018787266122952506,0.1476766499897197,0.22600404358851348,0.3268281817558769,0.17982403536426564
EOS-3-13123,Cc1cc(COc2cncc3nnc(-c4cccc(-c5cnc(F)cn5)c4)n23)nc(C)n1,XXAZQOPTBZVFHM-UHFFFAOYSA-N,3,1,0.473,4,758,428.431,3.373,5,0.42,0.7,1.0,0.5633609759440751,0.5494568569666233,0.3388647111232952,0.26289322184908503,0.4286439414707697
EOS-3-13124,COCc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)c4)n23)cn1,WKVVDOFXUJFHLC-UHFFFAOYSA-N,3,1,0.436,55,283,426.44,2.764,5,0.387,0.74,1.0,0.4550407785621273,0.33269652525529436,0.3242923720101432,0.23048454526763074,0.3356285552737989
EOS-3-13125,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnnc5)cn4)n23)cn1,RFDUVLWIHPMIKQ-UHFFFAOYSA-N,3,1,0.43,7,535,426.4,1.111,5,0.416,0.69,1.0,0.4022770886162703,0.15939620313892125,0.07935542457679391,0.04357137961757248,0.1711500239873895
EOS-3-13126,CCCn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4C)n23)cn1,OLACEDZDBRQLMN-UHFFFAOYSA-N,3,1,0.265,52,333,452.522,3.795,5,0.42,0.74,1.0,0.087476869302995,0.01912137619080255,0.1342865465012679,0.07170516071550956,0.07814748817764375
EOS-3-13127,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(Cl)nc1,NAAQYJCZDVNDMX-UHFFFAOYSA-N,3,1,0.477,95,493,432.875,3.257,5,0.38,0.78,1.0,0.4455314920156261,0.4189397573846892,0.3614813926392982,0.38461208964430127,0.40264118292097867
EOS-3-13128,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)nn1,JNMINEHFBLDKHQ-UHFFFAOYSA-N,3,1,0.58,91,742,445.433,3.851,5,0.392,0.72,1.0,0.8509183743403468,0.8548677266808307,0.7038928106366938,0.679905421150024,0.7723960832019738
EOS-3-13130,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)cc2)n1,BTSSSFBYPBFOSY-UHFFFAOYSA-N,3,1,0.385,93,810,430.475,4.316,6,0.414,0.79,1.0,0.16714070317318896,0.10984510999931464,0.4707782194503461,0.537163319854705,0.32123183811938866
EOS-3-13131,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5cc(-c6ccncn6)ncn5)n34)cn2)n1,NNGYFWXMBJYMII-UHFFFAOYSA-N,3,1,0.28,94,566,449.413,2.696,6,0.37,0.71,1.0,0.2792988828730039,0.27276231923788635,0.22601261051333013,0.24798677266808306,0.25651514632307587
EOS-3-13132,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnn4-c4ccc(F)cc4)n23)cn1,VULBFAUVOPJKLM-UHFFFAOYSA-N,3,1,0.376,82,204,414.404,2.538,5,0.485,0.77,0.856,0.039005208690288534,0.15162600233020354,0.294950654513056,0.28652936741827156,0.1930278082379549
EOS-3-13133,Cc1ccnc(COc2cncc3nnc(-c4ccc(F)c(-c5ncc(F)n5C)c4)n23)n1,BOIRXTIDRMFIOI-UHFFFAOYSA-N,3,1,0.456,73,911,434.41,3.147,5,0.419,0.71,1.0,0.6339952710575012,0.6593876362141046,0.40938763621410457,0.36872901103419914,0.5178748886299773
EOS-3-13134,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cc1,XHTMSTJCZNWBCU-UHFFFAOYSA-N,3,1,0.294,98,620,421.428,2.229,6,0.425,0.71,1.0,0.004934548694400658,0.013124528819135083,0.12842676992666713,0.1471197998766363,0.07340141182920978
EOS-3-13135,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cn4)n23)cc1,RQMZRLDCCGGSQS-UHFFFAOYSA-N,3,1,0.341,74,333,412.417,1.403,5,0.469,0.8,1.0,0.15100918374340347,0.07036872044410938,0.06052532382975807,0.031063669385237476,0.0782417243506271
EOS-3-13136,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)n1,GILOTTBVRBIYPL-UHFFFAOYSA-N,3,1,0.35,30,39,431.463,3.804,6,0.418,0.73,1.0,0.007907271605784388,0.0120022616681516,0.32783051195942703,0.34603522719484614,0.17344381810705228
EOS-3-13137,Fc1ccccc1-c1ncc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)cn1,IZNHDGNWIKHRKK-UHFFFAOYSA-N,3,1,0.383,94,809,461.464,3.83,6,0.381,0.72,1.0,0.2930830649030224,0.357437804125831,0.5161657871290521,0.5307295593173874,0.4243540538688232
EOS-3-13138,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccsc4)cn3)n12,RFPMOBHPJCMYTH-UHFFFAOYSA-N,3,1,0.315,30,979,436.504,4.377,6,0.408,0.8,0.92,0.030900897813720785,0.077445000342677,0.15878795147693783,0.23629292029333152,0.12585669248166678
EOS-3-13139,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(Cl)ncn5)nc4)n23)cc1,OLSVZRDEYXJFJS-UHFFFAOYSA-N,3,1,0.566,89,805,429.871,4.184,5,0.387,0.77,1.0,0.9238657391542732,0.7624905763827017,0.6435816599273525,0.6069409224864643,0.7342197244876979
EOS-3-13140,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccccc6)n5)n34)cc2F)CC1,SKPRWWKULJUPJH-UHFFFAOYSA-N,3,1,0.314,29,704,466.48,3.732,6,0.42,0.8,1.0,0.2578815708313344,0.23680693578233158,0.11429991090398191,0.21317935713796177,0.2055419436639024
EOS-3-13141,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(C)cn5)ccc4Cl)n23)cc1,RZVTYGFNJBHPFK-UHFFFAOYSA-N,3,1,0.382,62,3,454.921,4.842,5,0.42,0.82,1.0,0.2527928174902337,0.29368274964018914,0.742546775409499,0.6830923171818244,0.49302866493043657
EOS-3-13142,Fc1cc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)ccc1Cl,RLEUUHNRISGMBS-UHFFFAOYSA-N,3,1,0.517,4,391,434.822,3.41,5,0.414,0.69,1.0,0.819169350969776,0.9391834007264752,0.6342008772531013,0.6711157562881228,0.7659173463093688
EOS-3-13143,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccnc(-c4nccnn4)c3)n12,ATXQWAILTTXXLW-UHFFFAOYSA-N,3,1,0.524,73,446,434.822,3.41,5,0.414,0.69,1.0,0.8643170447536153,0.9363134809128915,0.6017065314234802,0.6565262833253376,0.7647158351038312
EOS-3-13144,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)nn3)n12,GYSYKFNIDMVEEX-UHFFFAOYSA-N,3,1,0.532,68,52,420.782,4.141,4,0.493,0.75,1.0,0.7724453430196696,0.911932012884655,0.9550664793365773,0.9126944691933384,0.8880345761085602
EOS-3-13145,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4)n23)nc1,KHFGWDKZWSLOHA-UHFFFAOYSA-N,3,1,0.276,64,495,419.412,2.49,6,0.457,0.7,1.0,0.092454252621479,0.12613083407580014,0.10356555410869714,0.14952710575011993,0.11791943663902404
EOS-3-13146,Cc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncc(F)cn5)c4)n23)n1,RTJGGLXWBXSEER-UHFFFAOYSA-N,3,1,0.529,4,82,431.406,3.809,5,0.418,0.74,1.0,0.8294239599753273,0.7497258584058666,0.637353505585635,0.5919402371324789,0.702110890274827
EOS-3-13147,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5c(F)cccc5OC)cnn4)n23)cc1,MCDBBMPNIXQDAS-UHFFFAOYSA-N,3,1,0.437,62,319,469.48,3.346,5,0.406,0.71,1.0,0.4642416558152286,0.4323983962716743,0.5362380919745048,0.4002295935850867,0.45827693441162365
EOS-3-13148,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)ccn1,BOFRFUPLHSREPL-UHFFFAOYSA-N,3,1,0.61,75,496,429.871,3.918,5,0.378,0.78,1.0,0.7608371598930848,0.7314954423959975,0.6198084435610993,0.6276300459187171,0.6849427729422247
EOS-3-13149,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)ncn4)n23)cc1,WXNHKLSZVJQMHT-UHFFFAOYSA-N,3,1,0.337,74,139,451.425,2.703,5,0.318,0.83,1.0,0.23369714207388115,0.18001679117264066,0.5362466588993215,0.44795593173874304,0.3494791309711466
EOS-3-13150,CCn1c(-c2ncccn2)nnc1-c1cncc2nnc(-c3cc(F)cc(Cl)c3CO)n12,GBOMPPSIBXCKAF-UHFFFAOYSA-N,3,1,0.31,50,311,451.853,2.812,5,0.433,0.66,1.0,0.18116475909807417,0.31883524090192583,0.10086697279144678,0.24799533959289974,0.21221557809608663
EOS-3-13151,N#Cc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)o2)c1,DMGKDGRYVDVLPN-UHFFFAOYSA-N,3,1,0.349,3,641,443.43,3.837,6,0.398,0.73,1.0,0.20629154958536083,0.3035261462545405,0.4882376122267151,0.5205948872592694,0.37966254883147144
EOS-3-13152,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1,KFZNVXGFWCDMME-UHFFFAOYSA-N,3,1,0.295,10,356,437.402,2.425,6,0.409,0.65,1.0,0.0006510862860667534,0.07396682886710987,0.19459769721060927,0.3052480981426907,0.14361592762661915
EOS-3-13153,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cccnc5)n34)nc2)n(C)n1,IQCYHNJMSAVUQW-UHFFFAOYSA-N,3,1,0.287,94,968,447.466,2.809,6,0.401,0.69,0.975,0.08748543622781166,0.051264478102940166,0.0684754300596258,0.07371838804742649,0.07023593310945102
EOS-3-13154,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cc5)n4C)n23)cc1,OAMORTWSVURNFM-UHFFFAOYSA-N,3,1,0.443,67,642,468.912,3.703,6,0.388,0.74,1.0,0.16179494208758824,0.44106812418614216,0.18767562195874168,0.31753306832979233,0.2770179391405661
EOS-3-13155,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1,SPDIETGUMFRMQZ-UHFFFAOYSA-N,3,1,0.26,64,195,430.475,4.409,6,0.412,0.78,1.0,0.006742169830717566,0.00277568364060037,0.3804399972585841,0.4353282845589747,0.20632153382221918
EOS-3-13156,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)c(C)n1,OLDLERDKMQDSBJ-UHFFFAOYSA-N,3,1,0.518,65,282,424.468,3.277,5,0.409,0.74,1.0,0.5829192653005277,0.46336782948392846,0.2085617846617778,0.13994928380508534,0.34869954081282983
EOS-3-13157,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccnc(F)c5)nc4)n23)cc1,VZRJOSZONMAWMI-UHFFFAOYSA-N,3,1,0.333,42,106,450.441,3.245,6,0.376,0.74,1.0,0.21439586046192857,0.2115430744979782,0.3462751010897128,0.35545027756836406,0.2819160784044959
EOS-3-13158,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(F)c(-c5ccccc5)n4)n23)cc1F,DFCKHDNWRIOIOR-UHFFFAOYSA-N,3,1,0.442,43,700,474.431,2.86,5,0.399,0.74,0.999,0.6732403536426564,0.44992632444657665,0.3058049482557741,0.2865379343430882,0.42887739017202386
EOS-3-13159,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)o1,LFGXRHDRPYUTBY-UHFFFAOYSA-N,3,1,0.404,46,915,420.82,3.172,5,0.422,0.76,1.0,0.5858834212870948,0.5494654238914399,0.247524158727983,0.2688815022959358,0.4129386265506134
EOS-3-13160,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cn5)n34)nn2)n[nH]1,SUUVFANCVHBEAS-UHFFFAOYSA-N,3,1,0.238,99,652,436.443,2.137,6,0.44,0.66,0.681,0.06856966623260914,0.0667449112466589,0.03296552669453773,0.028330820368720443,0.04915273113563156
EOS-3-13161,FC(F)c1ncc(-c2nnc3cncc(-c4ccn(-c5ncc(Cl)cn5)n4)n23)cn1,QETJWCSNDMPSNI-UHFFFAOYSA-N,3,1,0.291,50,489,426.778,2.815,5,0.431,0.68,0.974,0.02739702556370365,0.12613940100061682,0.2618737577959016,0.30525666506750737,0.18016671235693238
EOS-3-13162,Fc1ccnc(-c2cn(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nn2)c1,XKRHOIZAMQYVRB-UHFFFAOYSA-N,3,1,0.374,70,37,436.414,3.03,6,0.414,0.68,1.0,0.0014478102940168598,0.0809831402919608,0.2726766499897197,0.3589027482694812,0.17850258721129464
EOS-3-13163,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cn1,MSUHSKMHZJCPIU-UHFFFAOYSA-N,3,1,0.312,64,495,437.398,3.499,6,0.408,0.7,0.981,0.27633472688643684,0.3476201082859297,0.33533513809882803,0.39131999177575216,0.3376524912617367
EOS-3-13164,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1F,YSPBKXUSPLUYMY-UHFFFAOYSA-N,3,1,0.763,48,378,409.396,3.051,4,0.529,0.88,1.0,0.8294325269001439,0.45445822767459393,0.7449283805085326,0.6739428414776232,0.6756904941402233
EOS-3-13165,COc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)c1,WZWKZORDMZYPNN-UHFFFAOYSA-N,3,1,0.484,97,214,428.427,3.975,5,0.404,0.75,1.0,0.9263587142759235,0.8548762936056473,0.7683417860324858,0.668168734151189,0.8044363820163114
EOS-3-13166,Cn1nccc1-c1cc(F)cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,WKGONKNAYKCXKI-UHFFFAOYSA-N,3,1,0.466,46,915,435.85,3.958,5,0.415,0.72,1.0,0.6032485778904805,0.6115756288122816,0.7565108628606675,0.7636728120074018,0.6837519703927079
EOS-3-13167,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnc5)n4)n23)cc1Cl,GVWOPOIUKDGICU-UHFFFAOYSA-N,3,1,0.433,89,788,472.896,3.235,5,0.4,0.75,1.0,0.6143684463025153,0.5306952916181208,0.34244568569666234,0.2956445754232061,0.44578849976012613
EOS-3-13168,N#Cc1cccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)c1,BOGDMCWMCXAYDH-UHFFFAOYSA-N,3,1,0.304,76,154,443.434,2.967,6,0.434,0.65,0.999,0.2172914810499623,0.22169488040572957,0.3278390788842437,0.3460437941196628,0.27821730861489957
EOS-3-13169,COc1ccc(F)cc1COc1cncc2nnc(-c3cncc(-c4ccnn4C)c3)n12,YIGIHTLSSPSSIL-UHFFFAOYSA-N,3,1,0.478,16,422,431.431,3.314,5,0.407,0.73,1.0,0.4408967856898088,0.4095504077856213,0.6634312247275718,0.5103745459529847,0.5060632410389967
EOS-3-13170,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)ccn1,QMGOLXWTMSYDRC-UHFFFAOYSA-N,3,1,0.317,38,620,431.463,3.804,6,0.418,0.7,1.0,0.003392502227400452,0.011119868412034816,0.3767819203618669,0.3751542046467,0.19161212391200055
EOS-3-13171,N#Cc1cnc(-c2nnccc2-c2cncc3nnc(-c4ccc(F)cc4)n23)c(Cl)c1,LZFUMGSLASXPHS-UHFFFAOYSA-N,3,1,0.389,22,46,428.818,3.974,5,0.428,0.72,1.0,0.36871187718456583,0.6066839147419643,0.796989582619423,0.8766962511137002,0.6622704064149134
EOS-3-13172,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)n5)cnn4)n23)nc1,QXLHRNNWVUXVML-UHFFFAOYSA-N,3,1,0.4,46,128,434.822,3.41,5,0.387,0.7,1.0,0.5689980124734425,0.6210506476595161,0.5161743540538688,0.5887190734014118,0.5737355218970598
EOS-3-13173,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)n5)ncn4)n23)nc1,XPHSYXCYMGDFHG-UHFFFAOYSA-N,3,1,0.4,46,128,434.822,3.41,5,0.387,0.7,0.998,0.6284182030018505,0.6496213419231033,0.4913816736344322,0.5472380234391063,0.5791648104996231
EOS-3-13174,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cncs4)n23)cc1C#N,WPMSWBDLKPVTBM-UHFFFAOYSA-N,3,1,0.554,63,636,419.47,2.491,4,0.489,0.71,0.999,0.42485950243300663,0.2165461585909122,0.17498800630525665,0.10837159893084779,0.23119131656500583
EOS-3-13175,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4nc5ccccc5s4)n23)c1,XZQQLJBJMUTEJC-UHFFFAOYSA-N,3,1,0.307,30,543,426.44,4.059,6,0.421,0.77,0.963,0.1022976492358303,0.23681550270714824,0.21887636214104586,0.40979884860530463,0.24194709067233228
EOS-3-13176,Cc1ncc(-c2ccnc(F)c2)c(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,MCJGIHVSYRIILP-UHFFFAOYSA-N,3,1,0.505,89,731,456.441,2.769,5,0.386,0.72,1.0,0.6577599204989377,0.3188438078267425,0.38044856418340073,0.25986053046398466,0.4042282057432664
EOS-3-13177,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,ZRAPGMYYMAYRAH-UHFFFAOYSA-N,3,1,0.326,30,474,445.49,4.194,6,0.392,0.77,0.998,0.06472311698992529,0.051273045027756835,0.11430847782879858,0.20102289082311015,0.10783188266739771
EOS-3-13178,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cc2)n1C,FOKVOZNPSRIJPM-UHFFFAOYSA-N,3,1,0.324,3,39,451.469,3.887,6,0.404,0.73,1.0,0.026171955314920156,0.19273867452539237,0.44603694057980947,0.4573110136385443,0.2805646460146666
EOS-3-13179,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(C)n4)n23)n1,MWINBCGASUMBEA-UHFFFAOYSA-N,3,1,0.44,46,122,428.431,3.373,5,0.42,0.73,1.0,0.6087571105475978,0.5170310465355356,0.22602117743814681,0.17356589678568982,0.38134380782674254
EOS-3-13180,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)nc1,GOZIJOFKZOUDKL-UHFFFAOYSA-N,3,1,0.418,44,481,432.394,2.938,5,0.403,0.67,0.773,0.6256082516619834,0.5036923445959838,0.4602152011513947,0.48498218079638133,0.5186244945514358
EOS-3-13181,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)nc2)n1C,ZNXNNMHDVUAJBS-UHFFFAOYSA-N,3,1,0.269,99,286,436.443,1.933,6,0.407,0.66,0.726,0.022907956959769722,0.02815091494757042,0.02941025289562059,0.024569940374203274,0.026259766294291
EOS-3-13182,Fc1ccnc(-c2cnnc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)c1,PXSPRNWMMCHPGU-UHFFFAOYSA-N,3,1,0.418,54,873,432.394,2.938,5,0.403,0.68,0.997,0.6061099307792475,0.4991176067438832,0.4460455075046261,0.5039493523404839,0.5138055993420602
EOS-3-13183,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ncn4)n23)nc1,MNUVWMHZBXGCBS-UHFFFAOYSA-N,3,1,0.441,44,481,432.394,2.938,5,0.403,0.68,0.79,0.6061184977040641,0.5124220409841683,0.45677129737509425,0.47299705297786304,0.5120772222602974
EOS-3-13184,Clc1cccc(-c2cnc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)c5)n34)cn2)c1,WDXMABDDWPBYJC-UHFFFAOYSA-N,3,1,0.349,3,693,452.869,3.749,6,0.429,0.65,1.0,0.1424251250771023,0.3188523747515592,0.4242341169213899,0.5668134466451923,0.36308126584881095
EOS-3-13185,CCn1cncc1-c1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,AAKARRHKBGSRFP-UHFFFAOYSA-N,3,1,0.339,52,423,468.496,3.768,6,0.407,0.78,0.997,0.21730004797477898,0.18410321431019122,0.17499657323007334,0.21867932287026248,0.1987697895963265
EOS-3-13186,Cc1nc(-c2cc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cn6)cn5)n34)ccn2)c[nH]1,CEUVOVDFTYDUGK-UHFFFAOYSA-N,3,1,0.277,86,72,450.441,3.543,6,0.433,0.68,1.0,0.2118429168665616,0.1973305462271263,0.342454252621479,0.3492649578507299,0.2752231683914742
EOS-3-13187,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)s4)n23)cc1,JQUFCOCJSBXIJM-UHFFFAOYSA-N,3,1,0.324,38,865,437.492,3.772,6,0.414,0.69,1.0,0.0594801590021246,0.09998457953532999,0.16506750736755535,0.17357446371050647,0.1245266774038791
EOS-3-13188,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccnc(Cl)c5)n4)n23)cc1,OJFSXAJWZYXDIZ-UHFFFAOYSA-N,3,1,0.406,74,155,456.897,3.666,5,0.38,0.76,1.0,0.219981495442396,0.22170344733054623,0.34246281954629565,0.2896477280515386,0.2684488725926941
EOS-3-13189,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cc5F)n34)cn2)nc1,BVNDALOQNDNNHV-UHFFFAOYSA-N,3,1,0.31,32,693,454.404,3.374,6,0.43,0.64,1.0,0.3364145706257282,0.40955897471043795,0.6137002261668152,0.6593276677403879,0.5047503598108423
EOS-3-13190,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3)n12,PIWOSDUOXBVBKA-UHFFFAOYSA-N,3,1,0.337,25,508,465.481,2.453,6,0.377,0.72,1.0,0.142433692001919,0.04767493660475636,0.11431704475361525,0.09584675484887945,0.10006810705229251
EOS-3-13191,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,KXMHVRSZVHHJJW-UHFFFAOYSA-N,3,1,0.289,38,608,446.478,3.589,6,0.395,0.71,1.0,0.11222671509834829,0.059068946610924544,0.13134809128915084,0.13762764717976836,0.11006785004454803
EOS-3-13192,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)cn1,SUZORUQHJLPRCM-UHFFFAOYSA-N,3,1,0.453,4,617,429.4,1.57,5,0.422,0.67,1.0,0.3938643684463025,0.16719210472208895,0.05105887190734014,0.019695360153519293,0.15795267630731272
EOS-3-13193,Cn1cc(-c2nc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)ccc2F)cn1,DOPLWWDGWUPGLS-UHFFFAOYSA-N,3,1,0.4,46,128,454.828,3.492,5,0.401,0.71,0.996,0.4432441230895758,0.5037009115208005,0.6406774724145021,0.6739514084024398,0.5653934788568296
EOS-3-13194,CCn1cc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)cn1,KTGBOJOBXDGIHY-UHFFFAOYSA-N,3,1,0.436,16,205,458.457,2.887,5,0.397,0.7,1.0,0.38254746076348434,0.3235213487766431,0.3804571311082174,0.2778425056541704,0.34109211157562885
EOS-3-13195,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,YHSIVOJPKCOZNV-UHFFFAOYSA-N,3,1,0.415,9,553,421.424,3.304,6,0.426,0.74,1.0,0.12039956137344938,0.09062093071071209,0.10357412103351381,0.139957850729902,0.11363811596189433
EOS-3-13196,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(C#N)c5)n34)nc2)s1,KOBIIFHCXVXWHV-UHFFFAOYSA-N,3,1,0.422,89,348,426.465,3.464,5,0.42,0.78,0.999,0.539613460352272,0.4586902885340278,0.3278476458090604,0.3114419847851415,0.40939834487012544
EOS-3-13197,FC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)nn1,DJKMAIRKIHSOHP-UHFFFAOYSA-N,3,1,0.351,85,362,436.361,2.438,5,0.418,0.63,1.0,0.287574532245905,0.30353471317935715,0.3688232472071825,0.2717171544102529,0.3079124117606744
EOS-3-13198,Fc1cc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)nn4)n23)ccc1Cl,LKRMSEJCWAMZKG-UHFFFAOYSA-N,3,1,0.378,45,730,426.242,4.485,5,0.425,0.79,1.0,0.08507813035432801,0.4410766911109588,0.8858628606675348,0.9507230484545267,0.5906851826468371
EOS-3-13199,OCc1cncc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)c1,KGUWBNOMBYLMFS-UHFFFAOYSA-N,3,1,0.511,97,91,428.427,3.459,5,0.414,0.77,1.0,0.7576245630868343,0.6115841957370982,0.8350609965046947,0.7712288396957029,0.7438746487560826
EOS-3-13200,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)c(C)n1,AOZWADJJFYOREL-UHFFFAOYSA-N,3,1,0.409,46,181,427.443,3.978,5,0.419,0.73,1.0,0.6611695565759715,0.49433726269618256,0.5226595161400863,0.43206428620382425,0.5275576554040161
EOS-3-13201,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cn5)n34)nc2)nc1,RLIVZONQKIESDX-UHFFFAOYSA-N,3,1,0.3,86,977,438.386,2.894,6,0.404,0.69,1.0,0.2930916318278391,0.27777397025563705,0.2122112946336783,0.2333887327804811,0.2541164073744089
EOS-3-13202,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cccnc6)cn5)n34)nc2)cc1,FYZBOSYFPQDRBC-UHFFFAOYSA-N,3,1,0.3,30,106,428.459,4.372,6,0.411,0.79,1.0,0.10969090535261462,0.0844955794667946,0.4533530943732438,0.5172966212048523,0.29120905009937637
EOS-3-13203,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cn2)o1,BYCFDKKPMQUQNN-UHFFFAOYSA-N,3,1,0.325,42,977,433.435,3.669,6,0.41,0.71,1.0,0.19254163525460902,0.11908882187649922,0.22966212048523063,0.19808443561099306,0.184844253306833
EOS-3-13204,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)o4)n23)cc1,XXCIFOMDUZVBLS-UHFFFAOYSA-N,3,1,0.385,3,641,455.869,3.957,6,0.392,0.76,1.0,0.14244225892673565,0.31886094167637585,0.28415632924405454,0.3815451305599342,0.28175116510177506
EOS-3-13205,Clc1cnc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)cn1,YUMUSFSASRSYJA-UHFFFAOYSA-N,3,1,0.321,8,927,443.818,2.532,6,0.399,0.66,1.0,0.04340004112123912,0.16720067164690564,0.07936399150161058,0.15758001507778768,0.11188617983688576
EOS-3-13206,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cn5)n34)cc2)cc1,OSKKAFANXZUCBW-UHFFFAOYSA-N,3,1,0.357,93,651,417.436,3.7,6,0.466,0.8,1.0,0.21440442738674526,0.21155164142279487,0.4352254814611747,0.5071790829963676,0.3420901583167706
EOS-3-13207,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nn1,UBSUHQIRCUQGGQ-UHFFFAOYSA-N,3,1,0.338,98,882,435.455,2.444,6,0.414,0.66,1.0,0.07256185319717634,0.025743609074086765,0.08422143787266123,0.0810345418408608,0.06589036049619629
EOS-3-13208,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nc2)nn1,YEEOKFOGYRIMFA-UHFFFAOYSA-N,3,1,0.325,70,812,434.423,3.064,6,0.407,0.69,0.999,0.19255020217942567,0.12614796792543348,0.15879651840175452,0.14712836680145294,0.15615576382701665
EOS-3-13209,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1F,BMIJHLDMXCOCDD-UHFFFAOYSA-N,3,1,0.578,37,619,433.422,3.487,5,0.408,0.72,1.0,0.757633130011651,0.6018950037694469,0.7398224933177986,0.7082105407442945,0.7018902919607978
EOS-3-13210,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5ncccn5)cc4Cl)n23)cc1,BLNYRERUNOEWQD-UHFFFAOYSA-N,3,1,0.57,73,539,433.834,4.015,5,0.413,0.74,1.0,0.8884072373380851,0.917706120211089,0.6549328353094374,0.7163576862449456,0.7943509697758893
EOS-3-13211,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)cnn5)ncn4)n23)nc1,VFYPVLLBCDKEIU-UHFFFAOYSA-N,3,1,0.369,33,53,454.454,1.68,5,0.402,0.65,0.762,0.33398156397779455,0.10666678089233089,0.07728222877116031,0.03107223631005414,0.137250702487835
EOS-3-13212,Clc1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)n1,HRDLQNQTROJTDW-UHFFFAOYSA-N,3,1,0.329,8,927,453.857,2.939,6,0.396,0.68,1.0,0.01290178877390172,0.14768521691453637,0.10087553971626345,0.21001816188061134,0.11787017682132822
EOS-3-13213,COc1cc(-c2nnc3cncc(OCc4cc(-c5cccnn5)no4)n23)ccc1Cl,PJYLPNVMHCLFEP-UHFFFAOYSA-N,3,1,0.494,72,389,435.831,3.477,5,0.395,0.75,0.996,0.7724539099444864,0.7754094990062367,0.4674371187718457,0.4256476595161401,0.6102370468096772
EOS-3-13214,Fc1cc(-c2nnc3cncc(Cc4ccc(-c5nccnn5)cc4)n23)ccc1OC(F)F,FSEAQKNMXJVLCM-UHFFFAOYSA-N,3,1,0.451,14,740,449.396,3.975,5,0.387,0.74,1.0,0.8114505517099582,0.8418717017339455,0.9065091494757042,0.8809454458227675,0.8601942121855939
EOS-3-13215,N#Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)n1,ANWKNFDQDSCMTN-UHFFFAOYSA-N,3,1,0.489,24,786,440.854,3.747,5,0.379,0.75,1.0,0.8089661435131246,0.8453498732095127,0.6744825577410732,0.6537848673840039,0.7456458604619285
EOS-3-13216,Fc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,ZFMRSORALFKTIY-UHFFFAOYSA-N,3,1,0.333,94,696,446.449,4.511,6,0.393,0.8,0.886,0.29576451237063944,0.395140840243986,0.7193218422315126,0.7636813789322184,0.5434771434445891
EOS-3-13218,Cc1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cnn1,JNHVOHRZWHBZIS-UHFFFAOYSA-N,3,1,0.284,30,945,444.462,3.471,6,0.402,0.68,0.999,0.14245082585155233,0.09999314646014666,0.16195771365910494,0.19530018504557603,0.149925467754095
EOS-3-13219,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccn6)n5)n34)nc2)cc1,VJMUHZOGFLUCNG-UHFFFAOYSA-N,3,1,0.289,30,301,418.424,2.891,6,0.429,0.8,0.915,0.007915838530601056,0.015925913234185456,0.07937255842642725,0.1521400178192036,0.06383858200260434
EOS-3-13220,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cn1,XTGZYUYSPQRJII-UHFFFAOYSA-N,3,1,0.308,10,37,421.428,2.23,6,0.425,0.74,0.926,0.012027962442601604,0.015934480159002125,0.06848399698444246,0.08987560825166198,0.04658051195942704
EOS-3-13221,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnccn5)c4)n23)cc1F,HWWRWTSLDMGKPP-UHFFFAOYSA-N,3,1,0.354,82,859,412.388,2.548,5,0.481,0.82,1.0,0.21185148379137825,0.18002535809745734,0.5194469193338359,0.4818723870879309,0.3482990370776506
EOS-3-13222,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)c1,VFYYNZMENAMYLN-UHFFFAOYSA-N,3,1,0.333,25,791,437.492,3.772,6,0.414,0.7,1.0,0.07438660818312659,0.07745356726749367,0.2841648961688712,0.3492735247755466,0.19631964909875949
EOS-3-13223,Cn1cc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cn1,WIZRXDVWGGNSKV-UHFFFAOYSA-N,3,1,0.517,73,29,436.838,3.353,5,0.417,0.71,1.0,0.542269207045439,0.7796158590912207,0.5194554862586526,0.5504506202453567,0.5979477931601673
EOS-3-13224,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cc1,NMZRLTWVHNDBQO-UHFFFAOYSA-N,3,1,0.297,98,890,435.455,2.444,6,0.414,0.64,1.0,0.07439517510794326,0.05907751353574121,0.10358268795833048,0.10195497224316359,0.08475258721129464
EOS-3-13225,Cc1nc(-c2ccnc(-c3nnc4cncc(OCCc5cnc(F)cn5)n34)c2)cs1,SQIZYIGBWXRDNZ-UHFFFAOYSA-N,3,1,0.417,18,720,434.46,3.169,5,0.401,0.73,1.0,0.4741621547529299,0.40034953053252004,0.165076074292372,0.14215955040778563,0.29543682749640193
EOS-3-13226,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCc4cncc(F)c4F)n23)nc1,WZXHJSZGWCPAGB-UHFFFAOYSA-N,3,1,0.43,55,564,432.394,3.204,5,0.417,0.7,1.0,0.7400023987389487,0.592659858817079,0.5983996984442465,0.5601826468370914,0.6228111507093415
EOS-3-13227,Cc1noc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,QKGVTYVHNQKBMJ-UHFFFAOYSA-N,3,1,0.556,7,212,420.82,3.172,5,0.422,0.78,1.0,0.6400777876773354,0.7454509629223494,0.17500514015489,0.23930847782879858,0.44996059214584333
EOS-3-13228,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5F)nn4)n23)cc1,XXPWXHLMXWXYAC-UHFFFAOYSA-N,3,1,0.31,98,39,456.42,3.113,6,0.401,0.7,1.0,0.03460180933452128,0.22710917688986362,0.49139024055924885,0.5504591871701734,0.3258901034884518
EOS-3-13229,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnnn5C)c4)n23)cn1,SAHWVYKLFHPPPE-UHFFFAOYSA-N,3,1,0.457,92,986,442.443,1.315,5,0.412,0.68,1.0,0.31130491398807486,0.1440014392433692,0.0842300047974779,0.03529573024467137,0.14370802206839833
EOS-3-13230,c1ccc(Oc2cccnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1,OIIGBQNXANBYGA-UHFFFAOYSA-N,3,1,0.3,76,387,434.423,3.221,6,0.434,0.7,0.997,0.19517168117332603,0.11291206908368172,0.13752484408196833,0.17618737577959015,0.15544899252964156
EOS-3-13231,Clc1ccnc(CCOc2cncc3nnc(-c4cncnc4-c4ccncn4)n23)c1,ZFWKLSYHPNRXTR-UHFFFAOYSA-N,3,1,0.511,65,304,431.847,2.708,5,0.4,0.68,0.999,0.6312452881913508,0.6593962031389212,0.2154238914399287,0.27785107257898706,0.44597911383729694
EOS-3-13232,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1,DXNKWVRWURYVLO-UHFFFAOYSA-N,3,1,0.269,33,432,424.428,1.926,6,0.436,0.72,1.0,0.07440374203275991,0.08099170721677747,0.03046398464807073,0.0462528270851895,0.0580280652456994
EOS-3-13233,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5F)n34)o2)n(C)n1,QZTASXKUAOOPEP-UHFFFAOYSA-N,3,1,0.307,76,140,441.43,3.684,6,0.444,0.72,0.998,0.14792509080940305,0.2985144952367898,0.24402028647796586,0.26290178877390175,0.2383404153245151
EOS-3-13234,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)n(C)n1,WTCHXFMSESKCRL-UHFFFAOYSA-N,3,1,0.633,59,294,450.865,3.662,5,0.403,0.76,1.0,0.6173240353642656,0.7176255911178123,0.43907203070385853,0.47300561990267975,0.561756819272154
EOS-3-13235,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nncs5)cn4)n23)nc1,LUJTVHVFFILZBT-UHFFFAOYSA-N,3,1,0.404,33,53,471.506,2.571,6,0.38,0.76,1.0,0.2502141731204167,0.11292063600849839,0.0329740936193544,0.03737749297512165,0.10837159893084779
EOS-3-13236,FC(F)c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc5c(c4)OCO5)n23)cn1,WQICQXOCIYVWDJ-UHFFFAOYSA-N,3,1,0.382,82,961,445.389,3.977,6,0.41,0.72,0.968,0.382556027688301,0.34278836268932905,0.7425553423343156,0.6681773010760057,0.5340192584469878
EOS-3-13237,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)nc1,CSLTXONSUIMLGS-UHFFFAOYSA-N,3,1,0.506,73,82,433.382,2.333,5,0.398,0.67,1.0,0.7491861421424165,0.6165187444314989,0.31707902131450894,0.36563635117538207,0.5121050647659516
EOS-3-13238,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nn1C,WRMFZEKVCVDGTP-UHFFFAOYSA-N,3,1,0.262,99,286,424.432,1.772,6,0.453,0.7,1.0,0.05092180111027346,0.07037728736892605,0.03685491056130492,0.02920464670002056,0.04683966143513125
EOS-3-13239,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cn(Cc5ccc(F)c(F)c5)nn4)n23)cn1,RJGHMWXQYGNNIW-UHFFFAOYSA-N,3,1,0.387,85,290,461.436,2.055,5,0.411,0.66,1.0,0.1371050647659516,0.2777825371804537,0.2547632101980673,0.25089096018093343,0.23013544308135153
EOS-3-13240,CN(C)c1cc(Cl)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,VJTWFQUZAAMLAS-UHFFFAOYSA-N,3,1,0.368,61,999,410.84,3.416,4,0.556,0.81,1.0,0.2660115824823521,0.38578575834418477,0.7425639092591323,0.6334898224933178,0.5069627681447467
EOS-3-13241,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4cc(F)c(F)cc4F)n23)cc1,RCAUMEXAHBBHHN-UHFFFAOYSA-N,3,1,0.366,62,3,460.419,4.297,5,0.405,0.75,1.0,0.3140291960797752,0.4095675416352546,0.8952436433417861,0.8614128572407649,0.6200633095743953
EOS-3-13242,Cc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,PLRHTRBYYDBAEW-UHFFFAOYSA-N,3,1,0.517,65,262,428.431,3.107,5,0.406,0.73,1.0,0.8573692687272977,0.7542234939346172,0.23344013432938113,0.2160407100267288,0.5152684017545062
EOS-3-13243,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)c(F)c2)o1,OWAPIURBGWTFJK-UHFFFAOYSA-N,3,1,0.346,9,598,453.441,3.751,6,0.397,0.71,1.0,0.2686330614762525,0.3427969296141457,0.3462836680145295,0.33967000205606196,0.3243459152902474
EOS-3-13244,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5cc(=O)n(C)cn5)c(F)c4)n23)n1,RQMJIODGYWZFDC-UHFFFAOYSA-N,3,1,0.473,36,677,432.419,2.004,5,0.418,0.67,1.0,0.38256459461311765,0.3951494071688027,0.3503015557535467,0.28376225070248784,0.35294445205948877
EOS-3-13245,Cc1nc(-c2ncc(-c3nnc4cncc(-c5ccnc(-c6cncnc6)c5)n34)cn2)n[nH]1,XCLZXLXFZRMRPO-UHFFFAOYSA-N,3,1,0.244,86,874,434.427,2.194,6,0.437,0.65,0.994,0.07067712973750942,0.08765677472414501,0.06447467617024193,0.06474025083955863,0.07188720786786375
EOS-3-13246,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)cc1,GTYDXEXFACFGJO-UHFFFAOYSA-N,3,1,0.313,64,144,452.428,4.379,6,0.395,0.78,1.0,0.020826194229319445,0.1632170516071551,0.7114402714001782,0.7989685422520731,0.4236130148721815
EOS-3-13247,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6F)n5)n34)cc2)n1,NYWMIRCVMNSCMF-UHFFFAOYSA-N,3,1,0.3,98,973,439.418,2.369,6,0.384,0.68,1.0,0.014418134466451923,0.1556267562195874,0.12570248783496676,0.16279727229113838,0.11463616270303612
EOS-3-13248,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cc1,NLRHUERWNJPDEJ-UHFFFAOYSA-N,3,1,0.329,64,365,447.437,3.906,6,0.4,0.7,0.999,0.22261154136111302,0.27277088616270306,0.3206514289630594,0.4730141868274964,0.32226201082859296
EOS-3-13249,COCc1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)c4)n23)cn1,ZDKPCRHJCWIABF-UHFFFAOYSA-N,3,1,0.472,36,250,428.456,2.707,5,0.39,0.73,1.0,0.4087965184017545,0.24729285175793297,0.28040401617435406,0.19284147762319237,0.28233371598930845
EOS-3-13250,Cc1ccc(-c2cc(-c3nnc4cncc(CNc5ccc(F)c(Cl)c5)n34)nc(C)n2)cn1,OYYIRLXCDJXTGD-UHFFFAOYSA-N,3,1,0.314,44,500,460.904,4.665,5,0.407,0.81,0.998,0.15368206428620382,0.18848091289150845,0.5984082653690631,0.5762884654924268,0.37921492700980053
EOS-3-13251,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)c1,YRPGQGOUAYTFMT-UHFFFAOYSA-N,3,1,0.303,39,144,453.416,3.774,6,0.401,0.71,0.996,0.009877664313617984,0.12254129257761634,0.4812127338770475,0.6334983894181344,0.31178252004660406
EOS-3-13252,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)s5)n4)n23)cc1,DHOFNCCODHAGKJ-UHFFFAOYSA-N,3,1,0.365,74,333,420.433,2.599,5,0.479,0.67,0.999,0.09246281954629566,0.15940477006373793,0.17501370707970668,0.1421681173326023,0.14226235350558564
EOS-3-13254,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)cn1,OCGVIHBERDGTCC-UHFFFAOYSA-N,3,1,0.314,99,968,435.455,2.444,6,0.414,0.67,1.0,0.09027825371804538,0.059086080460557876,0.11133575491741485,0.09379925981769584,0.08862483722842848
EOS-3-13255,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cn4)n23)cn1,RINHTORNNHOVFY-UHFFFAOYSA-N,3,1,0.26,70,813,435.455,2.444,6,0.414,0.67,1.0,0.054177232540607224,0.04398259200877253,0.11134432184223152,0.0938078267425125,0.07582799328353095
EOS-3-13256,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)cn2)n1,JZSZUNIQNDNCDN-UHFFFAOYSA-N,3,1,0.297,86,151,434.467,3.143,6,0.42,0.67,0.903,0.00340106915221712,0.028159481872387086,0.17153553560413953,0.13996641765471865,0.0857656260708656
EOS-3-13257,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)nn1,MVZTXFWBQBFNDM-UHFFFAOYSA-N,3,1,0.5,4,469,448.849,3.718,5,0.4,0.7,1.0,0.640086354602152,0.6740113768761565,0.5888218764992118,0.5948872592694127,0.6244517168117332
EOS-3-13258,Fc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccsc4)cc3)n12,QWKCVTGFLFUJMO-UHFFFAOYSA-N,3,1,0.338,9,38,440.467,4.506,6,0.433,0.73,1.0,0.2984973613871565,0.3857943252690014,0.6987869234459598,0.7482694811870331,0.5328370228222877
EOS-3-13259,FC(F)c1ccc(COc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)cc1,ANVUPMZYGUARJR-UHFFFAOYSA-N,3,1,0.518,27,183,431.406,4.16,5,0.399,0.76,1.0,0.7340312521417311,0.5724076485504763,0.9053954492495374,0.8530344047700638,0.7662171886779522
EOS-3-13260,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(CO)c5)n34)cc(C)n2)cn1,BXCUWDBOFCNHCP-UHFFFAOYSA-N,3,1,0.511,89,205,439.479,3.331,5,0.429,0.73,1.0,0.40880508532657117,0.2727794530875197,0.4882461791515318,0.3235384826262765,0.37334230004797475
EOS-3-13261,Cc1ncc(-c2nc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ccc2F)o1,DGMRPPULYWWYHT-UHFFFAOYSA-N,3,1,0.349,52,647,470.468,3.167,6,0.401,0.7,1.0,0.18675039407854158,0.22171201425536288,0.07729079569597697,0.09989891028716331,0.1464130285792612
EOS-3-13262,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,ZBCRNCVZNOYBJN-UHFFFAOYSA-N,3,1,0.296,30,498,430.435,3.162,6,0.415,0.68,1.0,0.06857823315742581,0.0439911589335892,0.2296706874100473,0.32354704955109315,0.16644678226303886
EOS-3-13263,Fc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5ccnnc5)c4)n23)c1,YIPJMBIIWQDVMI-UHFFFAOYSA-N,3,1,0.684,91,202,430.418,4.148,5,0.403,0.75,1.0,0.8114591186347748,0.8641200054828319,0.8858714275923515,0.885237475155918,0.8616720067164692
EOS-3-13265,Cc1cnc(-c2noc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)nc1,HYOKPURSSONMPO-UHFFFAOYSA-N,3,1,0.641,27,863,452.381,3.12,5,0.363,0.78,1.0,0.6087656774724145,0.6888749914330752,0.3170875882393256,0.29256904941402234,0.47682432663970936
EOS-3-13266,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nn2)nn1C,WNRNAFONOVKGCV-UHFFFAOYSA-N,3,1,0.477,22,706,436.838,3.875,5,0.422,0.75,1.0,0.5858919882119115,0.7754180659310533,0.5194640531834692,0.5236961140429032,0.6011175553423344
EOS-3-13267,Cc1nnc(-c2ccnc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)n1C,OTYTVEIYPUNNAP-UHFFFAOYSA-N,3,1,0.488,36,706,436.838,3.875,5,0.422,0.75,1.0,0.6000788157083133,0.7711945719964362,0.4460540744294428,0.484990747721198,0.5755795524638476
EOS-3-13268,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4F)n23)nn1,ZWNIZEYMCKYCSQ-UHFFFAOYSA-N,3,1,0.317,99,765,454.433,1.978,6,0.392,0.67,0.963,0.20343876362141045,0.28825988623123844,0.08423857172229457,0.11062470015763141,0.1716404804331437
EOS-3-13269,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)o1,HIDBZGHIHOIFOU-UHFFFAOYSA-N,3,1,0.337,76,507,439.414,3.443,6,0.411,0.69,0.378,0.18117332602289082,0.2829740936193544,0.3058135151805908,0.37852100609965045,0.2871204852306216
EOS-3-13270,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cn2)cc1,BTCDTJNXVFHTQR-UHFFFAOYSA-N,3,1,0.349,10,705,447.462,3.505,6,0.395,0.69,1.0,0.046304228634089506,0.0629668974025084,0.4061065040093208,0.36240662051949835,0.21944606264135427
EOS-3-13271,COc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ccncc4)ncn3)n12,VFZDFQCSQIFDPQ-UHFFFAOYSA-N,3,1,0.419,44,488,445.87,3.884,5,0.388,0.74,0.998,0.5449420875882394,0.4849564800219313,0.6406860393393188,0.5762970324172435,0.5617204098416833
EOS-3-13272,N#Cc1cnc(COc2cncc3nnc(-c4cc(F)cnc4-c4ccc(F)cc4)n23)cn1,USCSMNCQICCGSI-UHFFFAOYSA-N,3,1,0.467,4,401,442.389,3.372,5,0.407,0.71,1.0,0.6943749571653759,0.7882684531560551,0.7087502570077445,0.7269378383935302,0.7295828764306764
EOS-3-13273,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)no1,LVFSYSGUXSHVBR-UHFFFAOYSA-N,3,1,0.326,38,57,432.447,4.274,6,0.406,0.78,1.0,0.1371136316907683,0.1556353231444041,0.31317250359810844,0.32052292509080943,0.23161109588102258
EOS-3-13274,Fc1cc(Cl)cc(-c2nnc3cncc(OCc4cncc(-c5nncs5)n4)n23)c1,DLMQFYLMAOVEIA-UHFFFAOYSA-N,3,1,0.608,73,212,440.851,3.471,5,0.409,0.72,1.0,0.4937804125830992,0.6548728668357207,0.36883181413199917,0.4818809540127476,0.4998415118908916
EOS-3-13275,N#Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cn4)n23)c1,ALQBRXNBSWXJOM-UHFFFAOYSA-N,3,1,0.446,46,775,425.387,2.628,5,0.417,0.7,1.0,0.6765985881707902,0.6740199438009732,0.46744568569666234,0.43533685148379136,0.5633502672880543
EOS-3-13276,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(Cl)cn5)s4)n23)cc1,YMJHQPCVOBCYBO-UHFFFAOYSA-N,3,1,0.404,85,357,461.938,3.914,5,0.426,0.69,1.0,0.2118600507161949,0.23682406963196492,0.3462922349393462,0.305265231992324,0.27506039681995753
EOS-3-13277,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)cn2)ccn1,QOASQISELOONHO-UHFFFAOYSA-N,3,1,0.315,42,723,419.408,3.36,6,0.423,0.79,1.0,0.18395757658830786,0.11580768967171544,0.3131810705229251,0.3205314920156261,0.23336945719964364
EOS-3-13278,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nn2)n1,YFHQFBMXEPZNLQ-UHFFFAOYSA-N,3,1,0.343,10,705,432.451,3.199,6,0.417,0.68,0.992,0.002784250565417038,0.012010828592968268,0.20857035158659448,0.21868788979507917,0.11051333013501474
EOS-3-13279,Cc1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)nn2)cn1,LFSNYHSMRSRKJW-UHFFFAOYSA-N,3,1,0.278,94,892,433.439,2.594,6,0.412,0.67,0.999,0.0053885957096840515,0.010186073607018025,0.11135288876704819,0.12466588993214996,0.06289836200397506
EOS-3-13280,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)c5)n34)cn2)c1,TVTWMNWKPLLMPT-UHFFFAOYSA-N,3,1,0.373,3,220,451.881,4.354,6,0.424,0.74,1.0,0.15647488177643754,0.35744637105064764,0.6107960386539648,0.7163662531697622,0.46027088616270306
EOS-3-13281,CCn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)c2)cn1,VOPLXGQZWCCJRO-UHFFFAOYSA-N,3,1,0.495,89,744,427.468,3.141,5,0.426,0.73,1.0,0.3411520800493455,0.24730141868274963,0.49817524501404975,0.3656449181001988,0.3630684154615859
EOS-3-13282,CNCCn1c(-c2cncc(C)n2)nnc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,DTCLZNBTJMVNQF-UHFFFAOYSA-N,3,1,0.327,74,333,469.513,1.394,5,0.362,0.76,0.987,0.08088890411897745,0.004189226235350558,0.007967240079501062,0.00340106915221712,0.024111609896511548
EOS-3-13283,Cn1ncnc1-c1nccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)n1,GJDQHHMJLXSOSG-UHFFFAOYSA-N,3,1,0.265,86,957,433.439,2.501,6,0.412,0.66,0.624,0.040495853608388734,0.011128435336851483,0.07066856281269275,0.08804228634089507,0.05258378452470701
EOS-3-13284,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccnnc5)ncn4)n23)cn1,KXVKWJVMSNXGAF-UHFFFAOYSA-N,3,1,0.275,86,812,433.439,2.501,6,0.412,0.66,1.0,0.10969947227743129,0.028168048797203755,0.17154410252895622,0.15758858200260434,0.1167500514015489
EOS-3-13285,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cnn1,SXIBODRYPJRMDN-UHFFFAOYSA-N,3,1,0.277,99,719,433.439,2.501,6,0.412,0.66,0.823,0.06303543280104174,0.025752175998903434,0.1434188883558358,0.1707473785210061,0.10073846891919677
EOS-3-13286,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cccnn5)n4)n23)cc1,FATWHTDBQSHFKX-UHFFFAOYSA-N,3,1,0.536,89,398,470.468,2.764,5,0.386,0.71,0.999,0.614377013227332,0.34762867521074636,0.27684874237543694,0.1953087519703927,0.35854079569597697
EOS-3-13287,Cc1ncc(-n2ccc(CCOc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)cn1,OAAGNPSKEDOQIM-UHFFFAOYSA-N,3,1,0.455,65,986,442.443,1.191,5,0.392,0.69,1.0,0.2713744774175862,0.12615653485025016,0.031620519498320884,0.012010828592968268,0.11029059008978138
EOS-3-13288,Fc1ccc(CCOc2cncc3nnc(-c4cc(F)c(-c5cncnc5)cn4)n23)cc1,XSBWBMHYCROMSG-UHFFFAOYSA-N,3,1,0.6,84,215,431.406,3.543,5,0.406,0.72,1.0,0.8318912343225275,0.7035587005688438,0.7750839558632033,0.7734476732232198,0.7709953909944486
EOS-3-13289,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ncccn4)n23)n1,WFSQDXRQLPFAJN-UHFFFAOYSA-N,3,1,0.268,86,601,435.415,1.291,6,0.394,0.68,0.998,0.02173428825988623,0.008626893290384484,0.00617675279281749,0.005894044273867452,0.010607994654238914
EOS-3-13290,O=C(O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(Cl)c5)n4)n23)cc1,ANZOQKWWRXBNDN-UHFFFAOYSA-N,3,1,0.49,97,401,459.853,3.574,5,0.379,0.75,1.0,0.47656946062641353,0.24219553149201561,0.5051744225892674,0.4130028784867384,0.4092355732986087
EOS-3-13291,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)ncn2)cc(C)n1,UVVGOOQPJHFHBV-UHFFFAOYSA-N,3,1,0.5,44,488,427.443,3.978,5,0.419,0.74,0.993,0.6704475361524227,0.5170396134603523,0.6168357206497156,0.5342077307929546,0.5846326502638612
EOS-3-13292,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)nn1,UKCPCGQWGXTYDF-UHFFFAOYSA-N,3,1,0.547,43,146,435.85,3.958,5,0.415,0.75,1.0,0.6143855801521486,0.8314200534576108,0.7612226715098348,0.7874802960729217,0.748627150298129
EOS-3-13293,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)cn1,DYACLKWBSVQLFW-UHFFFAOYSA-N,3,1,0.253,86,421,433.439,2.501,6,0.412,0.65,1.0,0.02740559248852032,0.011137002261668152,0.13429511342608458,0.12467445685696663,0.07437804125830992
EOS-3-13294,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5noc(C)n5)n4)n23)nc1,WPHXDCQYWUGUCN-UHFFFAOYSA-N,3,1,0.373,33,53,461.417,2.017,5,0.398,0.7,1.0,0.4110067850044548,0.3188695086011925,0.0584949626482078,0.03010417380577068,0.20461885751490644
EOS-3-13295,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)n1,LBQCQICPCBCQPE-UHFFFAOYSA-N,3,1,0.286,42,171,433.435,3.669,6,0.41,0.72,1.0,0.20075731615379344,0.15163456925502022,0.29139538071413884,0.292577616338839,0.23409122061544785
EOS-3-13296,N#Cc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nc1,MEEDLOGWGSOZDK-UHFFFAOYSA-N,3,1,0.415,46,128,441.842,3.142,5,0.404,0.66,1.0,0.555162428894524,0.7035672674936605,0.5261034199163868,0.5731272702350764,0.5894900966349119
EOS-3-13297,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1F,QYLIOFWKMYDLIW-UHFFFAOYSA-N,3,1,0.575,26,393,429.459,3.83,5,0.391,0.76,1.0,0.7576416969364677,0.572416215475293,0.5984168322938798,0.5237046809677198,0.6130448564183401
EOS-3-13298,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4cc(-c5ccnnc5)ncn4)n23)c1,WUCLWGHCHAWPPY-UHFFFAOYSA-N,3,1,0.333,94,566,448.425,3.301,6,0.4,0.68,1.0,0.24199849222123226,0.3235299157014598,0.46022376807621135,0.5103831128778014,0.3840338222191762
EOS-3-13299,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)c4)n23)c(F)c1,SKZIYBQGMAJYKX-UHFFFAOYSA-N,3,1,0.38,14,358,471.471,3.867,5,0.404,0.75,0.999,0.2763432938112535,0.31362655061339184,0.7296192858611473,0.6681858680008225,0.49694374957165377
EOS-3-13300,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)n4)n23)nc1,JMNLOMQKLJPILF-UHFFFAOYSA-N,3,1,0.347,33,776,415.392,1.933,5,0.477,0.74,0.999,0.034610376259337945,0.12254985950243301,0.16833150572270578,0.15759714892742102,0.12077222260297443
EOS-3-13301,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cn1,YTJOURDHWBNJLQ-UHFFFAOYSA-N,3,1,0.316,86,790,432.451,3.106,6,0.418,0.67,1.0,0.1536906312110205,0.06297546432732506,0.22602974436296347,0.210026728805428,0.16318064217668427
EOS-3-13302,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ncccn5)n34)cn2)cn1,QKZGNJQCPBSWKH-UHFFFAOYSA-N,3,1,0.257,86,967,432.451,3.106,6,0.418,0.66,1.0,0.049311219244739905,0.051281611952573504,0.19460626413542595,0.18997155780960867,0.12129266328558701
EOS-3-13303,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ncccc5Cl)n4)n23)nc1,JQLNDRQUASLKDU-UHFFFAOYSA-N,3,1,0.305,99,286,457.849,1.673,6,0.383,0.7,0.863,0.012910355698718389,0.1294976355287506,0.01235350558563498,0.028339387293537112,0.04577522102666027
EOS-3-13304,Cc1nc(-c2nnc3cncc(COc4ccc(Cl)cn4)n23)ccc1-c1nccn1C,UQAFAUFZFXTABY-UHFFFAOYSA-N,3,1,0.324,85,920,432.875,3.523,5,0.419,0.71,1.0,0.39387293537111917,0.3858028921938181,0.24046501267904874,0.22750325543143032,0.31191102391885406
EOS-3-13305,Cc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cn2)nn1,WHMBBIAYILRZAN-UHFFFAOYSA-N,3,1,0.333,86,812,435.411,2.459,6,0.402,0.68,1.0,0.1782006031115071,0.12255842642724968,0.07729936262079364,0.07570591460489343,0.11344107669111095
EOS-3-13307,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,JUCLMTFAPVWXGH-UHFFFAOYSA-N,3,1,0.416,22,311,438.829,4.24,5,0.417,0.73,0.979,0.13430368035090123,0.42336885751490644,0.619817010485916,0.7137961757247618,0.47282143101912133
EOS-3-13308,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)c(F)c1,LWWUGNGKMZFPBP-UHFFFAOYSA-N,3,1,0.313,98,765,452.457,3.188,6,0.405,0.69,1.0,0.18396614351312454,0.29852306216160646,0.3651566033856487,0.3554588444931807,0.3007761633883901
EOS-3-13309,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccncc5)n4)n23)cn1,MHEFVXJNPBLHQM-UHFFFAOYSA-N,3,1,0.291,32,557,431.463,3.711,6,0.419,0.69,0.999,0.11804365704886574,0.043999725858405864,0.2986858337331232,0.29258618326365565,0.18832884997601262
EOS-3-13310,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)cn1,RPEVZGTYBUTHAY-UHFFFAOYSA-N,3,1,0.512,20,658,428.431,3.107,5,0.406,0.71,1.0,0.7281714755671305,0.8418802686587622,0.3688403810568158,0.32683674868069357,0.5664322184908506
EOS-3-13311,Cc1ncc(-c2nc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)cn1,ZXNPBSMUJMMUAL-UHFFFAOYSA-N,3,1,0.467,18,840,428.431,3.107,5,0.406,0.71,1.0,0.7669453772873689,0.6789373586457406,0.3170961551641423,0.2837708176273045,0.511687427181139
EOS-3-13312,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ncccn5)nc4)n23)c(F)c1,WXYVLFKTBCGXAK-UHFFFAOYSA-N,3,1,0.538,35,770,470.468,2.764,5,0.386,0.74,1.0,0.5799379754643273,0.35745493797546435,0.3206599958878761,0.21604927695154547,0.3685255465698033
EOS-3-13313,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncc4Cl)n23)cn1,QPGLOBXMMWKNFM-UHFFFAOYSA-N,3,1,0.413,55,283,473.884,2.63,5,0.395,0.76,0.999,0.6400949215269687,0.5537060516756905,0.2404735796038654,0.19531731889520937,0.40739796792543354
EOS-3-13314,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)c(F)c5)n34)nc2)n1,LXZACZYCLUYWBV-UHFFFAOYSA-N,3,1,0.318,98,314,451.429,2.64,6,0.398,0.67,1.0,0.2118686176410116,0.2522873689260503,0.30223254060722365,0.34282263038859573,0.27730278939072034
EOS-3-13315,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncn6)cn5)n34)cc2)n1,YQSCIRHDPOFZAB-UHFFFAOYSA-N,3,1,0.296,98,882,433.439,2.501,6,0.412,0.67,1.0,0.1259337948050168,0.06675347817147556,0.15555822082105408,0.1547272291138373,0.12574318072784593
EOS-3-13316,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)n1,AHXAAZGJAFEWOC-UHFFFAOYSA-N,3,1,0.307,38,865,433.439,2.501,6,0.412,0.67,1.0,0.09028682064286205,0.047683503529573026,0.06849256390925913,0.08104310876567747,0.07187649921184291
EOS-3-13317,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ccc2Cl)cc1=O,KREINIYWNZUNPS-UHFFFAOYSA-N,3,1,0.595,4,911,450.911,3.846,5,0.404,0.76,1.0,0.6032571448152971,0.6496299088479199,0.5362552258241382,0.5601912137619081,0.5873333733123158
EOS-3-13318,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4F)n23)cc1,RHYGNSLHBNXVLG-UHFFFAOYSA-N,3,1,0.329,9,642,451.469,3.793,6,0.405,0.7,1.0,0.25789013775615105,0.31887807552600916,0.48825474607634844,0.48188952093756426,0.3867281200740182
EOS-3-13319,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1F,SHEVPITULRLRCR-UHFFFAOYSA-N,3,1,0.333,9,340,449.453,3.85,6,0.403,0.7,1.0,0.2528013844150504,0.23683263655678158,0.6771811390583237,0.6624631622232884,0.457319580563361
EOS-3-13320,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c(=O)c5)c(F)c4)n23)c1F,VSKBOMRNOIKLEB-UHFFFAOYSA-N,3,1,0.462,16,605,461.432,3.113,5,0.396,0.73,1.0,0.5089353025837845,0.4456085943389761,0.7039013775615105,0.6335069563429512,0.5729880577068056
EOS-3-13321,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cn4)n23)c(-c2cnn(C)c2)n1,BXQWBDWLEQUHAB-UHFFFAOYSA-N,3,1,0.275,99,286,450.47,2.148,6,0.396,0.67,1.0,0.04195223082722226,0.04400829278322253,0.04744362963470632,0.03738605989993832,0.04269755328627236
EOS-3-13322,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)n(C)n1,GHQFXJHSDDGWBN-UHFFFAOYSA-N,3,1,0.289,70,191,446.478,3.414,6,0.405,0.71,1.0,0.09487869234459598,0.055196696593790694,0.10611849770406415,0.11063326708244808,0.09170678843122472
EOS-3-13323,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)nn1C,WGPAVKAWDXZNDW-UHFFFAOYSA-N,3,1,0.319,76,191,446.478,3.414,6,0.405,0.71,1.0,0.06858680008224248,0.059094647385374545,0.10088410664108012,0.0977229113837297,0.08157211637310671
EOS-3-13324,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)cn5)c4)n23)cc1,CCXAQRGREJKUHM-UHFFFAOYSA-N,3,1,0.593,97,232,417.379,3.501,5,0.432,0.77,1.0,0.9346172297991913,0.8753255431430333,0.7883369885545884,0.7687272976492359,0.8417517647865123
EOS-3-13325,CN1CCC(Oc2cccnc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)C1,FQQMWRIEZRHJIP-UHFFFAOYSA-N,3,1,0.363,0,437,415.457,2.035,5,0.531,0.67,1.0,0.1318107052292509,0.013133095743951752,0.04745219655952299,0.060071276814474675,0.06311681858680007
EOS-3-13326,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)nn2)cc1,BBIHWCAJEMQNFJ-UHFFFAOYSA-N,3,1,0.31,10,37,440.467,4.302,6,0.406,0.78,0.992,0.0112569392091015,0.11292920293331506,0.4913988074840655,0.5826879583304777,0.2995682269892399
EOS-3-13327,Cc1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)s1,DNFXKEJBFHASQA-UHFFFAOYSA-N,3,1,0.57,4,946,436.888,3.641,5,0.411,0.72,1.0,0.7340398190665479,0.8641285724076485,0.14960420807346994,0.21869645671989582,0.49161726406689055
EOS-3-13328,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4)n23)cn1,QEWHWHKWMUAEEO-UHFFFAOYSA-N,3,1,0.333,82,974,426.444,1.746,5,0.426,0.69,0.986,0.08508669727914468,0.040461585909122064,0.024964018915769996,0.00883249948598451,0.03983620039750531
EOS-3-13329,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ccnn1C,GLYWJULWSZJUNR-UHFFFAOYSA-N,3,1,0.489,20,846,428.456,2.612,5,0.39,0.71,1.0,0.3290213145089439,0.12256699335206635,0.24402885340278255,0.13530601055445138,0.20773079295456104
EOS-3-13331,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)nc1,CMRHCDRKUBOUNK-UHFFFAOYSA-N,3,1,0.462,59,910,447.861,4.323,5,0.396,0.77,0.996,0.7866921389897882,0.7408162565965322,0.734913645397848,0.7482780481118497,0.7526750222740044
EOS-3-13332,Cc1cc(F)c(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)c1,YBTQSRSLANRXIH-UHFFFAOYSA-N,3,1,0.489,62,230,454.465,4.5,5,0.419,0.79,1.0,0.7461534507573162,0.40957610856007126,0.7661315194297855,0.6160304297169488,0.6344728771160304
EOS-3-13333,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)c(F)c3)n12,RVNQCCWXRZMJAL-UHFFFAOYSA-N,3,1,0.362,8,474,450.441,3.245,6,0.402,0.67,1.0,0.1618035090124049,0.28298266054417104,0.19107669111095882,0.26889006922075254,0.22618823247207182
EOS-3-13334,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ncc(F)cn5)n4)n23)cn1,GXBPAOOZZZMLCW-UHFFFAOYSA-N,3,1,0.33,50,974,455.417,1.527,6,0.413,0.63,0.752,0.18675896100335823,0.1594133369885546,0.011865190871084915,0.024578507299019944,0.09565399904050442
EOS-3-13335,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4ncnc(-c5cncnc5)n4)n23)c1,AUGJEOFIEQGUGG-UHFFFAOYSA-N,3,1,0.349,94,136,449.413,2.696,6,0.395,0.66,0.456,0.24200705914604895,0.35239188540881367,0.20510074703584402,0.2807124254677541,0.27005302926461516
EOS-3-13336,Cc1cccc(-c2ncnc(-c3cncc4nnc(-c5cccc(OC(F)F)c5)n34)n2)n1,FQHGHVQXTUXROH-UHFFFAOYSA-N,3,1,0.391,29,704,432.394,3.615,5,0.415,0.7,0.979,0.42951134260845725,0.539870468096772,0.5465184017545062,0.510391679802618,0.5065729730655884
EOS-3-13337,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccncc6)cn5)n34)nc2)n1C,PQQZWXKERZNAHY-UHFFFAOYSA-N,3,1,0.282,86,652,447.466,2.809,6,0.401,0.65,1.0,0.044864985264889315,0.05520526351860736,0.06643650195325886,0.07171372764032623,0.05955511959427044
EOS-3-13338,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)cn2)n1C,ZCBURLWBSDJLIY-UHFFFAOYSA-N,3,1,0.274,99,286,450.47,2.148,6,0.396,0.64,1.0,0.05595915290247413,0.023421972448769788,0.021905626756219588,0.01970392707833596,0.030247669796449866
EOS-3-13339,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)nc2F)n(C)n1,QJYSFOUCTZSGCM-UHFFFAOYSA-N,3,1,0.354,74,768,446.421,2.939,5,0.424,0.65,0.997,0.23370570899869783,0.2422040984168323,0.4846737715029813,0.4161469398944555,0.34418262970324176
EOS-3-13340,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(C5CC5)c4)n23)cc1,POPCZQLOERNVOJ-UHFFFAOYSA-N,3,1,0.385,63,334,410.481,3.547,6,0.525,0.87,1.0,0.2090929340004112,0.06298403125214173,0.08159139195394421,0.18193578233157426,0.13390103488451785
EOS-3-13342,Cn1ncnc1-c1ccc(-c2nnc3cncc(Cc4ccc(-c5c[nH]nn5)cc4F)n23)cc1,SXBZUFUUNWNANN-UHFFFAOYSA-N,3,1,0.34,67,882,452.457,3.102,6,0.427,0.67,1.0,0.23933417860324857,0.22711774381468028,0.4636933726269618,0.457319580563361,0.34686621890206293
EOS-3-13343,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)c(F)c1,LVADZIOFHHDYBW-UHFFFAOYSA-N,3,1,0.473,90,555,439.357,2.436,4,0.362,0.76,1.0,0.6914193681036255,0.5777876773353438,0.8281132204783771,0.7404136111301487,0.7094334692618738
EOS-3-13344,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)s4)n23)nc1,KHAXHLLARNXBMG-UHFFFAOYSA-N,3,1,0.311,33,647,455.507,2.583,6,0.414,0.65,1.0,0.07257042012199301,0.037017682132821604,0.02827085189500377,0.04626139401000617,0.04603008703995614
EOS-3-13345,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cn5)n34)nc2)n1,FCCWTHFXGOCOPG-UHFFFAOYSA-N,3,1,0.271,70,652,434.467,3.049,6,0.42,0.65,1.0,0.030909464738537454,0.028176615722020425,0.2768573093002536,0.22430779247481325,0.1400627955589062
EOS-3-13346,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)nc2)nn1,FLDVSHALUQLVLS-UHFFFAOYSA-N,3,1,0.31,98,765,453.445,2.583,6,0.4,0.67,1.0,0.10479062435748064,0.2473099856075663,0.24048214652868208,0.25395791926530054,0.2116351689397574
EOS-3-13347,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,YNARYRGWLNZWTM-UHFFFAOYSA-N,3,1,0.381,53,602,449.837,2.847,5,0.385,0.66,0.999,0.6061270646288808,0.6066924816667809,0.2841734630936879,0.3815536974847509,0.4696366767185251
EOS-3-13348,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)c2)n1,MOABQJLURBILQK-UHFFFAOYSA-N,3,1,0.288,98,373,435.455,2.444,6,0.414,0.68,1.0,0.07642553628949353,0.0629925981769584,0.11136145569186484,0.10838016585566446,0.0897899390034953
EOS-3-13349,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)n1,VYNBVJYELNNAGN-UHFFFAOYSA-N,3,1,0.27,10,37,432.451,3.199,6,0.417,0.69,0.176,0.0007967240079501062,0.0015420464670002057,0.0934908505242958,0.12673908573778356,0.055642176684257416
EOS-3-13350,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncncn1,CQENZZFICXFBON-UHFFFAOYSA-N,3,1,0.482,51,196,435.81,2.805,5,0.41,0.66,1.0,0.9184857103694058,0.8668014529504489,0.3989017202385032,0.435345418408608,0.6548835754917415
EOS-3-13351,COc1ncncc1-c1ccnc(COc2cncc3nnc(-c4ccccc4F)n23)n1,FDFSKZZFXSQDQS-UHFFFAOYSA-N,3,1,0.473,51,335,430.403,2.765,5,0.401,0.7,1.0,0.651797340826537,0.6496384757727366,0.27686587622507025,0.2243163593996299,0.45065451305599347
EOS-3-13352,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C6CCC6)cn5)cn4)n23)cc1F,OVEXOZDAEREMMG-UHFFFAOYSA-N,3,1,0.306,52,802,468.496,3.941,6,0.419,0.75,0.993,0.16986498526488933,0.20214515797409363,0.21888492906586252,0.2865465012679049,0.21936039339318758
EOS-3-13353,COc1cc(F)cc(-c2cnccc2-c2nnc3cncc(-c4ccc(OC)nc4)n23)c1,JINKVABLBPWSEP-UHFFFAOYSA-N,3,1,0.333,96,478,428.427,4.072,5,0.417,0.76,1.0,0.4765780275512302,0.5444794736481393,0.7924833801658556,0.665178877390172,0.6196799396888493
EOS-3-13354,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5F)nn4)n23)cc1,SJGDTKNPPZTVCU-UHFFFAOYSA-N,3,1,0.341,74,997,415.392,1.933,5,0.477,0.76,1.0,0.034618943184154614,0.11293776985813173,0.26909567541635254,0.227511822356247,0.1610410527037215
EOS-3-13355,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5C)nc4OC)n23)cc1F,LGTKMOBPXHCNDN-UHFFFAOYSA-N,3,1,0.346,62,3,468.492,4.336,5,0.413,0.81,1.0,0.49378897950791584,0.404915701459804,0.6049105613049139,0.4509714892742101,0.488646682886711
EOS-3-13356,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)n1,FFMVYXIKGFQQAJ-UHFFFAOYSA-N,3,1,0.325,76,314,450.441,3.245,6,0.402,0.68,1.0,0.21187718456582824,0.28299122746898775,0.25115653485025013,0.2896562949763553,0.25892031046535535
EOS-3-13357,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cc[nH]n5)c4)n23)c(F)c1,XMQIIPNHUQGIKZ-UHFFFAOYSA-N,3,1,0.368,52,916,454.469,3.199,6,0.407,0.77,0.983,0.08749400315262833,0.24731855253238297,0.2653861969707354,0.3268453156055102,0.2317610170653142
EOS-3-13358,Fc1ccc(F)c(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5ccncc5)n34)n2)c1,QJVWRKGRNMRMTP-UHFFFAOYSA-N,3,1,0.267,39,527,454.404,3.169,6,0.399,0.68,0.415,0.013707079706668495,0.10329997943938043,0.3424713864711123,0.4604293742718114,0.22997695497224316
EOS-3-13359,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1-c1cccc(F)c1,PXFFHXUHQPVHJO-UHFFFAOYSA-N,3,1,0.366,9,625,448.465,4.455,6,0.396,0.79,1.0,0.11223528202316496,0.2570848468233843,0.6608183126584881,0.6970392707833596,0.4317944280720992
EOS-3-13360,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)c(F)c1,MYMWDIZFPVWOKU-UHFFFAOYSA-N,3,1,0.346,3,635,443.377,3.367,6,0.408,0.68,0.999,0.13181927215406758,0.21156020834761155,0.49467993968884927,0.5668220135700089,0.35122035844013433
EOS-3-13361,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncc(-c5cncnn5)cn4)n23)nc1,WUCSPICBZSGFQZ-UHFFFAOYSA-N,3,1,0.25,86,377,451.389,1.486,6,0.38,0.69,1.0,0.20344733054622713,0.22172058118017957,0.05488828730039065,0.10409670344733055,0.14603822561853197
EOS-3-13362,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)n1C,SEXWHXJHDFSASO-UHFFFAOYSA-N,3,1,0.5,15,438,429.459,3.656,5,0.41,0.73,1.0,0.6518059077513536,0.512430607908985,0.39891028716331983,0.34928209170036323,0.47810722363100544
EOS-3-13363,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(Cl)c4)n23)cn1,QXDKSWPIGSWOJD-UHFFFAOYSA-N,3,1,0.489,90,555,413.8,2.312,4,0.5,0.77,1.0,0.6340038379823179,0.5880251524912617,0.4276523199232404,0.35546741141799737,0.5012871804537044
EOS-3-13364,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)cn1C,BRIPQMQPNXAETA-UHFFFAOYSA-N,3,1,0.356,62,341,467.508,4.199,6,0.419,0.78,1.0,0.27382461791515317,0.27779110410527036,0.3767904872866836,0.3846206565691179,0.32825671646905624
EOS-3-13365,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ncc(F)cn4)n23)cc1,TYVFXIPKCSYLMG-UHFFFAOYSA-N,3,1,0.289,39,495,451.429,2.64,6,0.398,0.68,1.0,0.142459392776369,0.180033925022274,0.09349941744911247,0.13531457747926803,0.13782682818175587
EOS-3-13366,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnn4)n23)c(F)c1,KEEBJLLDPWNJOU-UHFFFAOYSA-N,3,1,0.27,39,972,451.429,2.64,6,0.398,0.68,0.721,0.14246795970118567,0.18411178123500788,0.15266260023302036,0.21003529573024468,0.17231940922486466
EOS-3-13367,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)nc1,JHYFSBXUUUNWEP-UHFFFAOYSA-N,3,1,0.292,10,37,439.418,2.369,6,0.411,0.64,0.987,0.007324720718250977,0.12950620245356725,0.15880508532657117,0.22752038928106366,0.13078909944486328
EOS-3-13368,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nnc1Cl,RBGNMOPZGGDXEM-UHFFFAOYSA-N,3,1,0.466,55,242,435.81,2.805,5,0.41,0.67,1.0,0.6943835240901925,0.7497344253306834,0.3094201905284079,0.3492906586251799,0.525707199643616
EOS-3-13369,Cc1nc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc(-c2cnc(C)o2)n1,FZOVSNBIYHICNC-UHFFFAOYSA-N,3,1,0.529,4,391,435.394,3.71,5,0.412,0.72,1.0,0.8439191967651292,0.7839678568980879,0.5429459941059557,0.4697416215475293,0.6601436673291755
EOS-3-13370,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)nc5C)cc4F)n23)cc1F,VQSDPPRNZDTILL-UHFFFAOYSA-N,3,1,0.364,96,648,475.434,4.001,5,0.422,0.78,1.0,0.37093927763689943,0.3905489685422521,0.7586697279144679,0.7026677403879104,0.5557064286203824
EOS-3-13371,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C)nn5)cc(F)c4F)n23)cn1,CEXLHCIXXNAPNQ-UHFFFAOYSA-N,3,1,0.462,4,483,445.433,4.117,5,0.402,0.73,1.0,0.7125882393256117,0.7408248235213488,0.7864608320197382,0.6970478377081762,0.7342304331437186
EOS-3-13372,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)nc(C)n2)nc1,HVSCJNCMTCTDAJ-UHFFFAOYSA-N,3,1,0.448,44,16,445.433,4.117,5,0.402,0.73,1.0,0.6428106366938524,0.5037094784456172,0.6342094441779179,0.5977657460078131,0.5946238263313002
EOS-3-13373,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cn5)n34)cc2)n(C)n1,LEQMGYXMINOOHL-UHFFFAOYSA-N,3,1,0.329,98,42,448.494,3.358,6,0.407,0.67,1.0,0.12594236172983345,0.059103214310191214,0.12304674114179974,0.10196353916798026,0.10251396408745117
EOS-3-13374,CCOc1ccc(Cc2cncc3nnc(-c4cncc(-c5cnc(C)nn5)c4)n23)cc1,LGCDEHLYMPAIMI-UHFFFAOYSA-N,3,1,0.33,85,60,424.468,3.336,5,0.409,0.72,1.0,0.2578987046809677,0.11909738880131587,0.30582208210540746,0.22752895620588034,0.22758678294839282
EOS-3-13375,N#Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nc2)o1,ABXJKOWTHNAMMD-UHFFFAOYSA-N,3,1,0.329,86,812,434.379,2.825,6,0.401,0.7,1.0,0.29850592831197315,0.25709341374820094,0.24049071345349873,0.22161777808237956,0.2544269583990131
EOS-3-13376,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c(F)c1,WSMDFZQYHWMMML-UHFFFAOYSA-N,3,1,0.333,32,314,449.453,3.85,6,0.403,0.71,1.0,0.25022274004523337,0.32815605510246043,0.4775289562058803,0.49706154478788295,0.38824232403536424
EOS-3-13377,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)c1,RTEMDDPNYNLLHQ-UHFFFAOYSA-N,3,1,0.341,25,791,449.453,3.85,6,0.403,0.71,1.0,0.13712219861558494,0.2727880200123364,0.40611507093413746,0.517305188129669,0.3333326194229319
EOS-3-13378,CCc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)ccn1,KBRQIMJOYAEPHT-UHFFFAOYSA-N,3,1,0.494,24,912,427.443,3.924,5,0.406,0.77,1.0,0.7035158659447605,0.635211774381468,0.5465269686793228,0.46680316633541225,0.5880144438352409
EOS-3-13379,Cn1nnc(-c2cc(Cc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)ccn2)n1,JSOJBGKDSLTKGE-UHFFFAOYSA-N,3,1,0.368,22,784,421.827,2.76,5,0.44,0.7,1.0,0.3009132341854568,0.409584675484888,0.34630080186416284,0.47302275375231306,0.3824553663217052
EOS-3-13380,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)nc2)nn1,KQHINRLVYXAJJL-UHFFFAOYSA-N,3,1,0.263,70,652,433.439,2.501,6,0.412,0.68,1.0,0.034627510108971284,0.015943047083818794,0.12009115208004935,0.11552498115276541,0.07154667260640121
EOS-3-13381,COc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4nnn(C)n4)nc3)n12,GXDCMVDNNWESCP-UHFFFAOYSA-N,3,1,0.293,63,974,469.469,1.34,6,0.386,0.74,0.998,0.16987355218970598,0.07397539579192652,0.004857446371050647,0.002732849016517031,0.06285981084230005
EOS-3-13382,CCn1cc(-c2ncc(-c3nnc4cncc(-c5cccc(-c6nncn6C)c5)n34)cn2)cn1,RESMBRHSGFUXOV-UHFFFAOYSA-N,3,1,0.284,8,765,449.482,2.927,6,0.394,0.69,1.0,0.052480981426907,0.01912994311561922,0.08424713864711124,0.07935542457679391,0.05880337194160784
EOS-3-13383,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cnn(C)c6)cn5)n34)nc2)c1,RVHRPPKYWONAIM-UHFFFAOYSA-N,3,1,0.263,86,967,446.478,3.414,6,0.405,0.68,1.0,0.0405044205332054,0.01595161400863546,0.26188232472071826,0.2243249263244466,0.13566582139675143
EOS-3-13384,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5)n4C)n23)s1,LJYOXHZTAODLFL-UHFFFAOYSA-N,3,1,0.276,99,754,440.496,3.111,6,0.415,0.71,0.999,0.049319786169556575,0.07398396271674319,0.026069152217120143,0.03530429716948804,0.04616929956822699
EOS-3-13385,Cn1c(-c2ccnc(F)c2)nnc1-c1cncc2nnc(-c3ccc(C(=O)NCCO)cc3)n12,CVEROGFHJIMRJA-UHFFFAOYSA-N,3,1,0.343,74,333,459.445,1.51,5,0.365,0.79,1.0,0.19255876910424233,0.1329072716057844,0.10359125488314715,0.09188883558357892,0.1302365327941882
EOS-3-13386,Cc1cnc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)cn2)cn1,LAPOLRPAGXHNTE-UHFFFAOYSA-N,3,1,0.287,39,972,450.441,3.339,6,0.402,0.68,1.0,0.012036529367418272,0.12257556027688302,0.27268521691453634,0.32685388253032693,0.18353779727229114
EOS-3-13387,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cc2)nc1,CUEZRBDFALFJOU-UHFFFAOYSA-N,3,1,0.315,38,608,429.447,3.767,6,0.417,0.71,1.0,0.10479919128229731,0.11910595572613254,0.4024569940374203,0.3941042423411692,0.25511659584675483
EOS-3-13388,N#Cc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NCc5ccc(F)nc5)cn4)n23)cn1,YKMIAEFSGQSXRT-UHFFFAOYSA-N,3,1,0.34,85,647,466.44,1.903,5,0.37,0.69,1.0,0.29030738126242206,0.19733911315194297,0.28418203001850456,0.21318792406277842,0.246254112123912
EOS-3-13389,Fc1cncc(Cl)c1COc1cncc2nnc(-c3cc(-c4ccncc4)ccn3)n12,OAYOTASXULYPPO-UHFFFAOYSA-N,3,1,0.434,18,160,433.834,4.015,5,0.413,0.73,1.0,0.6766071550956069,0.6396837091357687,0.7775340963607703,0.805419436639024,0.7248110993077925
EOS-3-13390,Cc1cnc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2F)nn1,FUYBUXPRBNGEDY-UHFFFAOYSA-N,3,1,0.415,61,316,460.86,3.51,5,0.435,0.65,1.0,0.23934274552806525,0.3764906449181002,0.5089610033582346,0.5141696936467686,0.40974102186279215
EOS-3-13391,Cc1cnc(-n2nnc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)n2)nc1,LIUXJTOJCFMKPI-UHFFFAOYSA-N,3,1,0.301,99,356,453.405,1.524,6,0.382,0.68,1.0,0.0025358097457336714,0.08450414639161127,0.011873757795901583,0.03011274073058735,0.032256613665958465
EOS-3-13392,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,ZZWXJFJIFOUKMK-UHFFFAOYSA-N,3,1,0.267,42,339,437.398,3.499,6,0.408,0.69,1.0,0.3315142896305942,0.3084692618737578,0.36148995956411484,0.4509800561990268,0.3631133918168734
EOS-3-13393,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)nc1,LQUFNRCAODQDNH-UHFFFAOYSA-N,3,1,0.321,38,983,437.398,3.499,6,0.408,0.69,1.0,0.3595624014803646,0.3524004523336303,0.39891885408813654,0.40023816050990335,0.37777996710300876
EOS-3-13394,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)n1,RFOQGXLYGPPMHW-UHFFFAOYSA-N,3,1,0.549,36,404,420.824,2.004,5,0.42,0.74,1.0,0.5744808443561099,0.7221574943458297,0.0685011308340758,0.12880371461860052,0.37348579603865395
EOS-3-13395,c1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)nc2)ccn1,QWCXKVBTZPGPRS-UHFFFAOYSA-N,3,1,0.263,86,957,418.424,2.891,6,0.429,0.74,1.0,0.0006596532108834212,0.008635460215201151,0.36884894798163254,0.36873757795901585,0.18672040984168325
EOS-3-13396,Clc1cncc(COc2cncc3nnc(-c4cnc(-c5ccsc5)nc4)n23)n1,KHRUYQNUFNFARY-UHFFFAOYSA-N,3,1,0.464,7,94,422.861,3.332,5,0.424,0.79,1.0,0.5114625454047015,0.5926684257418957,0.20510931396066068,0.2539664861901172,0.39080169282434374
EOS-3-13397,c1ccc(-c2cc(-c3cncc4nnc(-c5cnc(-c6cncnn6)nc5)n34)ncn2)nc1,MEDGKKDASKXCEH-UHFFFAOYSA-N,3,1,0.25,86,892,432.411,1.952,6,0.402,0.69,1.0,0.087502570077445,0.040470152833938726,0.07067712973750942,0.08619183058049483,0.07121042080734699
EOS-3-13398,Fc1ccc(F)c(-n2nnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)c1,LNFIKTFDYJSUJJ-UHFFFAOYSA-N,3,1,0.469,22,990,442.336,3.314,5,0.385,0.76,0.824,0.23664416421081488,0.6936039339318758,0.8187067370296758,0.8645397847988486,0.6533736549928038
EOS-3-13399,Fc1c(Cl)ccnc1COc1cncc2nnc(-c3cc(-c4cnccn4)ccn3)n12,HYKZWVFXXTWXJP-UHFFFAOYSA-N,3,1,0.422,18,181,434.822,3.41,5,0.414,0.68,1.0,0.5772565279967103,0.5830049345486944,0.5792697553286272,0.6132633130011651,0.5881986327187994
EOS-3-13400,Cn1cc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)nn1,MEBFOFFJPLKNNR-UHFFFAOYSA-N,3,1,0.278,98,890,436.443,1.839,6,0.406,0.65,1.0,0.030918031663354124,0.0257607429237201,0.03966486190117195,0.039827633472688646,0.034042817490233704
EOS-3-13401,Cc1nc(F)ccc1-c1cnnc(COc2cncc3nnc(-c4ccc(C(=O)O)cn4)n23)c1,TXSVPHVWUSTGCT-UHFFFAOYSA-N,3,1,0.359,46,122,458.413,2.763,5,0.378,0.73,1.0,0.4088136522513878,0.12951476937838394,0.3243009389349599,0.20424405455417724,0.26671835377972725
EOS-3-13402,FCc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)ccn1,OWMXBTUHNIFNNA-UHFFFAOYSA-N,3,1,0.409,46,160,448.849,3.74,5,0.387,0.72,0.998,0.48646425878966487,0.48082722226029745,0.48468233842779795,0.5003683777671167,0.4880855493112193
EOS-3-13404,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)n1,UXIRTZUUMXDHBU-UHFFFAOYSA-N,3,1,0.447,51,69,435.398,2.893,5,0.401,0.69,0.999,0.4765865944760469,0.4991261736686999,0.48122130080186415,0.3492992255499966,0.45155832362415194
EOS-3-13405,Clc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nn1,AFHWMRPGEKAWIR-UHFFFAOYSA-N,3,1,0.31,10,37,452.869,3.544,6,0.399,0.69,1.0,0.016054417106435473,0.16322561853197176,0.3463093687889795,0.46354773490507845,0.24728428483311632
EOS-3-13406,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(F)F)cn5)n34)nc2)nc1C,FCNGDXUTWADWET-UHFFFAOYSA-N,3,1,0.287,50,432,431.41,3.655,5,0.424,0.68,0.889,0.21188575149064492,0.2882684531560551,0.372883969570283,0.34605236104447945,0.3047726338153656
EOS-3-13407,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)nc5)n34)nn2)n1,BOADZNPVMHCEBS-UHFFFAOYSA-N,3,1,0.238,70,813,437.427,2.402,6,0.404,0.66,1.0,0.06859536700705915,0.0440168597080392,0.056601672263724215,0.05154718662189021,0.05519027140017819
EOS-3-13408,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)nc1,PIFPFBOTYGFWMR-UHFFFAOYSA-N,3,1,0.325,94,515,450.441,3.245,6,0.402,0.69,0.993,0.1564834487012542,0.277799671030087,0.38421801110273457,0.4380439997258584,0.3141362826399835
EOS-3-13409,Cn1nc(-c2ccccc2F)nc1-c1cncc2nnc(-c3ccc(-c4cncnc4)nc3)n12,YWEYGRCJFHKKHT-UHFFFAOYSA-N,3,1,0.375,94,979,450.441,3.245,6,0.402,0.69,0.982,0.11526797340826538,0.2936913165650058,0.22967925433486397,0.30182989514084024,0.23511710986224385
EOS-3-13410,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)ncn1,KULVHGWBQJBTBF-UHFFFAOYSA-N,3,1,0.333,98,314,450.441,3.245,6,0.402,0.69,0.99,0.1951802480981427,0.2829997943938044,0.3316684942772942,0.39700842985401963,0.3017142416558153
EOS-3-13411,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)nc1,ZWHQPSOXPJYPBT-UHFFFAOYSA-N,3,1,0.488,16,921,430.859,3.579,5,0.416,0.68,1.0,0.5551709958193407,0.6210592145843328,0.342479953395929,0.3332362415187444,0.46298660132958674
EOS-3-13412,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(O)c(F)c5)cn4)n23)cc1,QOVZKVYKGACPMF-UHFFFAOYSA-N,3,1,0.255,25,791,465.452,3.556,6,0.42,0.73,1.0,0.2091015009252279,0.3235384826262765,0.5016876841888835,0.5442053320540059,0.39463324994859844
EOS-3-13413,COc1ncncc1COc1cncc2nnc(-c3cc(F)cc(-c4cnc(C)nn4)c3)n12,WYKBAPKYTXYABL-UHFFFAOYSA-N,3,1,0.447,16,256,445.418,2.468,5,0.385,0.68,1.0,0.6256168185868001,0.508095743951751,0.25116510177506685,0.17619594270440683,0.3902684017545062
EOS-3-13414,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)cc1F,HSNUGJURINCAII-UHFFFAOYSA-N,3,1,0.483,36,353,438.854,3.297,5,0.418,0.71,1.0,0.49141594133369887,0.6301144541155507,0.4637019395517785,0.4573281474881776,0.5106401206223015
EOS-3-13415,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)nc2)s1,PVQLPOAYECJJMI-UHFFFAOYSA-N,3,1,0.3,98,213,452.507,3.476,6,0.4,0.7,1.0,0.054185799465423894,0.09381639366732918,0.09131485162086217,0.09773147830854637,0.0842621307655404
EOS-3-13416,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)n5)n34)cn2)o1,UEAKVYNQDWBGCW-UHFFFAOYSA-N,3,1,0.306,76,14,436.439,3.007,6,0.41,0.69,1.0,0.06473168391474196,0.047692070454389696,0.08159995887876088,0.08105167569049414,0.06876884723459667
EOS-3-13417,Cc1cnc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n(C)n2)nn1,PPFNCIALDBJFPY-UHFFFAOYSA-N,3,1,0.494,36,292,437.826,3.27,5,0.421,0.72,1.0,0.5501165101775067,0.7361130148721815,0.2914039476389555,0.352486121581797,0.4825298985676102
EOS-3-13418,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nc1,XEDPQOJLISHGCL-UHFFFAOYSA-N,3,1,0.301,94,515,446.478,3.589,6,0.395,0.73,1.0,0.15369919813583716,0.06676204509629223,0.09832259612089644,0.13532314440408472,0.11352674593927764
EOS-3-13419,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(Oc5ccccc5)ncn4)n23)nc1,STUUMOYQIICORW-UHFFFAOYSA-N,3,1,0.42,49,54,468.477,2.75,5,0.365,0.78,1.0,0.41775752175998904,0.08451271331642793,0.14961277499828662,0.07936399150161058,0.18281175039407854
EOS-3-13420,Cc1nccc(COc2cncc3nnc(-c4cccc(-c5cc(CO)ccn5)c4)n23)n1,ZVMUDHYXBRIYMI-UHFFFAOYSA-N,3,1,0.441,4,506,425.452,3.023,5,0.442,0.72,1.0,0.45950414639161125,0.332705092180111,0.44964361592762664,0.3365173737235282,0.3945925570557193
EOS-3-13421,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)c1,QDMDNEDZLXFWKX-UHFFFAOYSA-N,3,1,0.313,25,373,438.48,3.167,6,0.412,0.66,1.0,0.07257898704680968,0.10985367692413131,0.09132341854567884,0.12236995408128298,0.0990315091494757
EOS-3-13422,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)cc1,FFUCSOYYTBHSNT-UHFFFAOYSA-N,3,1,0.324,3,158,423.465,3.558,6,0.427,0.73,1.0,0.02741415941333699,0.0667706120211089,0.14053183469261873,0.2131964909875951,0.11197827427866494
EOS-3-13423,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccc(C)c5)c4)n23)cn1,LZVXXEVRFDLJPC-UHFFFAOYSA-N,3,1,0.322,62,3,420.476,4.188,5,0.471,0.74,1.0,0.192567336029059,0.08100027414159414,0.5194726201082859,0.46355630182989516,0.31414913302720854
EOS-3-13424,Fc1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)ccn1,DBOKKPUOWNNIFL-UHFFFAOYSA-N,3,1,0.549,97,534,433.834,4.015,5,0.386,0.76,1.0,0.8439277636899458,0.9490010965663765,0.790487286683572,0.8241638681378932,0.8518950037694469
EOS-3-13425,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)nc1,XAANDEYUGOOXIW-UHFFFAOYSA-N,3,1,0.305,10,871,439.418,2.369,6,0.411,0.63,0.779,0.016062984031252142,0.16323418545678844,0.12843533685148378,0.18998012473442533,0.12442815776848742
EOS-3-13426,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nn2)cc1,VTOSECYZKVDETP-UHFFFAOYSA-N,3,1,0.327,10,37,451.881,4.149,6,0.397,0.75,0.999,0.008472688643684462,0.15942190391337124,0.467454252621479,0.5826965252552944,0.30451134260845725
EOS-3-13427,OCc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nc1,RZVZBBDEGSLYNF-UHFFFAOYSA-N,3,1,0.581,35,393,442.454,3.501,5,0.412,0.74,1.0,0.6766157220204235,0.583013501473511,0.7705434857103695,0.7052121170584607,0.6838462065656912
EOS-3-13428,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)cn6)cn5)n34)cn2)cn1,SYGFJCVKHCWTEP-UHFFFAOYSA-N,3,1,0.295,70,392,461.489,3.719,6,0.382,0.77,1.0,0.2903159481872387,0.15564389006922075,0.4093962031389213,0.28655506819272153,0.28547777739702557
EOS-3-13429,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ocnc5C)cn4)n23)cc1,DXHAGVCDUJARCI-UHFFFAOYSA-N,3,1,0.575,89,731,455.478,3.131,5,0.397,0.7,1.0,0.4665718593653622,0.19274724145020902,0.23344870125419778,0.10410527037214722,0.24921826811047906
EOS-3-13430,O=C(NCc1ccccn1)c1ccc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1,BKUYTORLHVBDOC-UHFFFAOYSA-N,3,1,0.351,9,98,474.488,2.963,6,0.376,0.82,1.0,0.12595092865465013,0.06677917894592557,0.2841905969433212,0.2187050236447125,0.17390643204715234
EOS-3-13431,COCc1nc(-c2cncc3nnc(-c4ccc(C(=O)NCCF)nc4)n23)n(CCCF)n1,HHPDOSWNCFWKFS-UHFFFAOYSA-N,3,1,0.316,63,66,457.445,1.65,4,0.381,0.71,0.928,0.046312795558906175,0.07038585429374272,0.0027928174902337056,0.0017219518881502296,0.03030335480775821
EOS-3-13432,Clc1cccc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,IQJZBAWPZXHIMS-UHFFFAOYSA-N,3,1,0.324,98,973,455.873,2.932,6,0.42,0.71,1.0,0.12890651771640052,0.262456308683435,0.13430368035090123,0.2661400863546022,0.19795164827633474
EOS-3-13433,c1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)nn1,VDRTUVDLIULYEM-UHFFFAOYSA-N,3,1,0.484,56,425,449.438,2.402,6,0.402,0.65,1.0,0.44090535261462543,0.3327136591049277,0.2511736686998835,0.20702830511959427,0.30795524638475774
EOS-3-13434,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)n1,GFJDCQBNZHKNGV-UHFFFAOYSA-N,3,1,0.307,76,387,450.441,3.245,6,0.376,0.71,0.965,0.16988211911452264,0.22712631073949696,0.2914125145637722,0.3235556164759098,0.25299414022342537
EOS-3-13435,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnc(F)cn5)n34)c2)cn1,IFFWICAJIRKKSA-UHFFFAOYSA-N,3,1,0.417,18,157,432.394,2.938,5,0.377,0.73,1.0,0.6340124049071345,0.5926769926667124,0.494688506613666,0.49090192584469877,0.5530699575080529
EOS-3-13436,Cc1ccc(-c2nnc3cncc(OCc4cc(C(=O)NCCc5ccccc5F)no4)n23)cc1,MEQVHLQIHATJSY-UHFFFAOYSA-N,3,1,0.527,1,230,472.48,3.778,5,0.366,0.85,1.0,0.6914279350284422,0.40492426838462064,0.37679905421150023,0.3268624494551436,0.45000342676992666
EOS-3-13437,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(Cl)nc(C)n5)cn4)n23)cc1,PGIOPNJOBRXYPE-UHFFFAOYSA-N,3,1,0.488,51,946,444.886,3.888,5,0.376,0.76,1.0,0.7838650538002878,0.7670653142348023,0.33887327804811185,0.31145055170995817,0.55031354944829
EOS-3-13438,Cc1cc(F)ccc1-n1cnc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)n1,YYRKOCXTBIXGOV-UHFFFAOYSA-N,3,1,0.282,10,748,450.441,3.339,6,0.402,0.69,0.83,0.018795833047769172,0.11581625659653211,0.17808066616407375,0.2865636351175382,0.1498140977314783
EOS-3-13439,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)nc1,BVDSYGWNLAGPLF-UHFFFAOYSA-N,3,1,0.61,59,293,434.381,4.245,5,0.412,0.73,1.0,0.9238743060790898,0.8611387156466315,0.8987475155918032,0.9024312932629703,0.8965479576451237
EOS-3-13440,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4cc(F)nc(Cl)c4)n23)cc1,RTZXBGIGRJUQIV-UHFFFAOYSA-N,3,1,0.383,96,139,449.833,3.66,5,0.417,0.68,0.999,0.3458553217736961,0.34280549653896236,0.5465355356041396,0.5039579192653005,0.43478856829552465
EOS-3-13441,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccc(F)cc5F)ncn4C)n23)cn1,BSAAZXOOTCEFSM-UHFFFAOYSA-N,3,1,0.337,82,336,446.421,2.892,5,0.455,0.66,0.863,0.21730861489959563,0.347637242135563,0.39520937564251934,0.38462922349393464,0.33619611404290317
EOS-3-13442,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)no5)n34)cn2)ccn1,JEXVRFPPDBTWLD-UHFFFAOYSA-N,3,1,0.364,30,203,436.41,4.104,6,0.38,0.81,1.0,0.3061133575491741,0.3476458090603797,0.42766088684805703,0.4818980878623809,0.3908295353299979
EOS-3-13443,Cc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)n2)cc1,XVWYDASDQGBWQI-UHFFFAOYSA-N,3,1,0.295,8,289,433.479,3.748,6,0.421,0.68,1.0,0.026180522239736825,0.030943732437804124,0.2949592214378727,0.2747412788705366,0.15670618874648756
EOS-3-13444,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)cn5)cn4)n23)nc1,HCTHDZINUNDTOA-UHFFFAOYSA-N,3,1,0.284,86,852,452.417,2.035,6,0.39,0.64,0.997,0.15370776506065384,0.2067284627510109,0.09833116304571311,0.11064183400726475,0.14235230621616066
EOS-3-13445,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)nn5)nc4)n23)c1,BAWKQRGIEDXLRB-UHFFFAOYSA-N,3,1,0.313,98,866,452.417,2.035,6,0.39,0.64,1.0,0.16714927009800562,0.1927558083750257,0.08160852580357755,0.1246830237817833,0.14154915701459805
EOS-3-13446,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)cn4)n23)ccc1Cl,SHGDPIRYALJRDC-UHFFFAOYSA-N,3,1,0.477,92,399,432.875,3.523,5,0.419,0.72,1.0,0.42486806935782334,0.6254711808649167,0.5089695702830512,0.4668117332602289,0.5065301384415051
EOS-3-13447,N#Cc1ncc(COc2cncc3nnc(-c4cc(-c5ccc(CO)cc5)ccn4)n23)cn1,YAGCEYIGSWITRC-UHFFFAOYSA-N,3,1,0.441,89,160,436.435,2.586,5,0.426,0.69,1.0,0.5371461860050716,0.42783222534439036,0.5628469604550751,0.4757727366184634,0.5008995271057501
EOS-3-13448,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nc2)c1,DFEWTAMQUOGIGS-UHFFFAOYSA-N,3,1,0.342,94,515,449.453,3.85,6,0.403,0.74,0.978,0.26064868754711806,0.3619268727297649,0.532802755123021,0.55046775409499,0.4264615173737235
EOS-3-13449,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(CO)n5)cc4OC)n23)cc1,MQVFNGICAFDFOL-UHFFFAOYSA-N,3,1,0.327,62,139,467.489,2.776,5,0.39,0.82,0.993,0.3264683709135769,0.14769378383935303,0.39141422794873554,0.20703687204441093,0.26815331368651907
EOS-3-13450,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c(F)c1,QKQVJQXLCUQVES-UHFFFAOYSA-N,3,1,0.305,64,27,465.427,4.046,6,0.384,0.78,1.0,0.29310019875265575,0.357463504900281,0.6608268795833048,0.732514906449181,0.5109763724213556
EOS-3-13451,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ncn2)cn1,JMAOALBXKLISSZ-UHFFFAOYSA-N,3,1,0.548,46,488,432.394,3.204,5,0.417,0.69,0.902,0.839387293537112,0.6301230210403673,0.6744911246658899,0.6132718799259818,0.6893183297923378
EOS-3-13452,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nn4)n23)cc1F,SWAUAGRGTJZXPS-UHFFFAOYSA-N,3,1,0.396,63,546,488.483,1.752,6,0.45,0.92,1.0,0.14500376944691934,0.05911178123500788,0.0022188335275169623,0.009166609553834556,0.05387524844081968
EOS-3-13453,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5ccnn5C)n4)n23)cn1,WIPWOHZSKHHVGH-UHFFFAOYSA-N,3,1,0.4,92,986,442.443,1.315,5,0.412,0.7,1.0,0.3664330751833322,0.17118429168665616,0.0355013364402714,0.009740593516551299,0.1457148242067028
EOS-3-13454,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)c(F)c6)n5)n34)cn2)n1,MHKOJUGOTPMRDE-UHFFFAOYSA-N,3,1,0.288,10,952,457.408,2.508,6,0.396,0.66,1.0,0.05248954835172367,0.2115687752724282,0.2768744431498869,0.3428311973134124,0.2209409910218628
EOS-3-13455,Cc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ncc(F)cn5)c4)n23)nc1,CXYHVSAUHXFJBN-UHFFFAOYSA-N,3,1,0.552,15,921,427.443,3.712,5,0.408,0.73,1.0,0.8139349599067919,0.7035758344184772,0.4352340483859914,0.3846377904187513,0.584345658282503
EOS-3-13456,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)cn1,YZYYJCZEQTTWHA-UHFFFAOYSA-N,3,1,0.522,18,159,427.443,3.712,5,0.408,0.73,1.0,0.6577684874237544,0.5724247824001096,0.5295730244671373,0.4909104927695154,0.5626691967651292
EOS-3-13458,Fc1cnc(-c2ncncc2-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)nc1,PJZJNSDJXIIYIT-UHFFFAOYSA-N,3,1,0.461,55,775,435.81,2.805,5,0.384,0.71,0.992,0.8061647590980742,0.6594047700637379,0.3388818449729285,0.40321945034610374,0.5519177061202111
EOS-3-13459,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cn4)n23)cc1F,CCUWYHUQNDKAHY-UHFFFAOYSA-N,3,1,0.31,98,314,438.43,3.178,6,0.449,0.65,1.0,0.2393513124528819,0.352409019258447,0.402465560962237,0.42254643273250636,0.35419308135151806
EOS-3-13460,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)nn1,YOPXYHREEASOLB-UHFFFAOYSA-N,3,1,0.593,36,659,431.847,2.974,5,0.413,0.65,1.0,0.8272308272222603,0.92513364402714,0.2188934959906792,0.28966486190117197,0.5652307072853129
EOS-3-13461,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5C#N)n34)nc2)cn1,ZKJDMZGWIZTYSA-UHFFFAOYSA-N,3,1,0.404,13,412,428.843,3.904,5,0.427,0.77,1.0,0.5576554040161743,0.6838033719416079,0.77509252278802,0.7455966006442327,0.6905369748475088
EOS-3-13462,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1,IBDRHGMJONHEKM-UHFFFAOYSA-N,3,1,0.347,9,98,420.436,3.909,6,0.426,0.8,1.0,0.145012336371736,0.055213830443424025,0.4567798642999109,0.43805256665067505,0.2737646494414365
EOS-3-13463,Fc1cc(F)cc(-c2nnc3cncc(OCc4ccnc(-c5nncs5)c4)n23)c1,NLZOHRUKKCOFQI-UHFFFAOYSA-N,3,1,0.561,59,389,423.408,3.562,5,0.427,0.76,1.0,0.6032657117401138,0.6594133369885546,0.6137087930916318,0.6366938523747515,0.628270423548763
EOS-3-13464,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nc(C)c(C)n5C)n4)n23)cc1,QPFHGEAAXGVOTK-UHFFFAOYSA-N,3,1,0.474,89,398,468.521,3.142,5,0.407,0.76,1.0,0.42951990953327396,0.17119285861147282,0.08906175039407854,0.02921321362483723,0.17974693304091563
EOS-3-13465,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)cc1,LTEAVMIPLOCERE-UHFFFAOYSA-N,3,1,0.313,32,543,437.398,3.499,6,0.408,0.7,0.999,0.21999006236721266,0.27279658693715303,0.35414810499623056,0.4541926530052772,0.3252818518264684
EOS-3-13466,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cc2)nc1,DIXBICPLDPDYBO-UHFFFAOYSA-N,3,1,0.356,42,977,437.398,3.499,6,0.408,0.7,1.0,0.3548762936056473,0.3281646220272771,0.38046569803303404,0.3913285587005688,0.36370879309163184
EOS-3-13467,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,NMAYVVJULXIVFL-UHFFFAOYSA-N,3,1,0.528,35,982,443.442,3.413,5,0.377,0.72,1.0,0.8809711465972174,0.6838119388664246,0.5429545610307724,0.422554999657323,0.6325731615379344
EOS-3-13468,Cc1nc(-c2nnc3cncc(OCc4ccc(C#N)cc4Cl)n23)ccc1-c1ncn(C)n1,SQEVBMUZJSEAKB-UHFFFAOYSA-N,3,1,0.415,36,348,457.885,3.394,5,0.394,0.74,0.997,0.4814183400726475,0.5263004591871702,0.4496521828524433,0.4542012199300939,0.4778930505105887
EOS-3-13469,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ncccn5)n4)n23)nc1,NLHFWCGTTQNJLQ-UHFFFAOYSA-N,3,1,0.419,18,262,432.394,2.938,5,0.403,0.67,1.0,0.7431378932218491,0.6888835583578918,0.29869440065793984,0.3396785689808786,0.5175986053046399
EOS-3-13470,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnnn6C)nc5)n34)nc2)nn1,ZBJNHBUOUDFPBG-UHFFFAOYSA-N,3,1,0.296,99,968,436.443,1.839,6,0.406,0.67,0.999,0.04770920430402303,0.04402542663285587,0.0773079295456103,0.06982900418065931,0.05971789116578713
EOS-3-13471,COCCc1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)cn1,LVSVKVVELRBXPF-UHFFFAOYSA-N,3,1,0.33,85,290,424.468,2.818,5,0.393,0.76,1.0,0.2007658830786101,0.13291583853060104,0.27688301007470356,0.21320505791241176,0.2059424473990816
EOS-3-13472,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)cn5)n4)n23)cn1,CJLIJUUYTHDEGC-UHFFFAOYSA-N,3,1,0.417,92,975,446.406,1.24,5,0.408,0.68,0.999,0.2931087656774724,0.28827702008087175,0.056610239188540884,0.03424199849222123,0.16805950585977658
EOS-3-13473,c1cncc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c1,RBIILXCQXIZHAN-UHFFFAOYSA-N,3,1,0.274,9,339,429.447,3.767,6,0.417,0.72,1.0,0.10970803920224796,0.07746213419231032,0.44255876910424236,0.4730313206771297,0.2756900657939826
EOS-3-13474,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccc(=O)n(C)n5)cc4F)n23)c1F,AMLZOWJYNFKJLU-UHFFFAOYSA-N,3,1,0.427,16,606,461.432,3.113,5,0.396,0.72,1.0,0.5319717634158042,0.5081043108765677,0.6284096360770338,0.5634980467411418,0.5579959392776368
EOS-3-13475,Cn1nnc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)n1,AUWHMHRXHWLFIW-UHFFFAOYSA-N,3,1,0.628,34,258,454.828,3.492,5,0.401,0.73,1.0,0.8165221712014256,0.9056952916181208,0.7398310602426154,0.7874888629977383,0.812384346514975
EOS-3-13476,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,QGHFIWPAEFYKLV-UHFFFAOYSA-N,3,1,0.355,94,170,447.437,3.906,6,0.4,0.73,0.984,0.28758309917072167,0.41894832430950585,0.6077804811184977,0.6509920498937701,0.4913259886231238
EOS-3-13477,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnnc5)cn4)n23)cn1,VZPFTQQDNMPNQI-UHFFFAOYSA-N,3,1,0.408,51,969,440.427,1.372,5,0.411,0.65,1.0,0.45951271331642796,0.22172914810499622,0.07938112535124392,0.0342505654170379,0.1987183880474265
EOS-3-13478,Cc1n[nH]c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)ccn2)n1,QXRIJPXIGSALKW-UHFFFAOYSA-N,3,1,0.517,16,256,432.875,3.821,5,0.449,0.72,1.0,0.6671749708724556,0.6987526557466932,0.46746281954629565,0.45098862312384347,0.5710947673223219
EOS-3-13479,N#Cc1ccccc1-n1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,HOZIAZDWQLITEG-UHFFFAOYSA-N,3,1,0.463,89,398,476.5,3.32,6,0.382,0.85,1.0,0.4088222191762045,0.2115773421972449,0.3316770612021109,0.33652594064834485,0.32215064080597633
EOS-3-13480,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)nn5)ccc4F)n23)cc1,NPBYBYDAGRQLNK-UHFFFAOYSA-N,3,1,0.523,89,637,470.468,3.029,5,0.402,0.72,1.0,0.6518144746761703,0.4499348913713933,0.41654958536083886,0.28377938455212115,0.4505195839901309
EOS-3-13481,Cc1cc(-c2cnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cc(C)n1,MYGICBOWHMYAGD-UHFFFAOYSA-N,3,1,0.603,46,294,445.433,4.117,5,0.402,0.74,1.0,0.786700705914605,0.6446439586046193,0.7497858268795833,0.6770183674868069,0.7145372147214035
EOS-3-13482,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)cn4)n23)cc1Cl,XDCDHUIDKBTVDQ-UHFFFAOYSA-N,3,1,0.553,36,728,433.863,2.918,5,0.416,0.71,1.0,0.455049345486944,0.5777962442601604,0.25821568089918445,0.3018384620656569,0.39822493317798646
EOS-3-13483,Cn1c(C#N)ccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)cc1,VNZZJQARUJPVSL-UHFFFAOYSA-N,3,1,0.308,9,150,443.474,3.916,6,0.409,0.72,1.0,0.03742032759920499,0.1129463367829484,0.6342180111027346,0.5948958261942293,0.34487012541977935
EOS-3-13484,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,NAJYYRXMIJMJKA-UHFFFAOYSA-N,3,1,0.295,10,195,419.452,3.44,6,0.435,0.76,0.998,0.01204509629223494,0.021168871221986157,0.3688575149064492,0.36565348502501543,0.1919312418614214
EOS-3-13485,Cn1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(F)c2)n1,CTSBTLBDFIMVTC-UHFFFAOYSA-N,3,1,0.4,74,333,415.392,1.887,5,0.474,0.75,0.969,0.17820917003632375,0.18004249194709068,0.25118223562470016,0.19809300253580975,0.2018817250359811
EOS-3-13486,Cc1cnc(-c2nn(C)cc2-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nc1,SMLPGCUNGWDDDA-UHFFFAOYSA-N,3,1,0.311,98,882,449.482,2.753,6,0.403,0.66,1.0,0.044873552189705984,0.02818518264683709,0.07068569666232609,0.060079843739291344,0.05095606880954013
EOS-3-13487,OCc1cc(-c2nnc3cncc(OCc4cc(F)ncc4Cl)n23)ccc1Cl,NHHNMOKDPAJRED-UHFFFAOYSA-N,3,1,0.543,90,555,420.231,3.704,4,0.496,0.76,1.0,0.9368531971763416,0.9433212254129257,0.9536015351929271,0.9608320197381948,0.9486519943800973
EOS-3-13488,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccccc4O)n23)cc1,FGBUPNWJSPRFAJ-UHFFFAOYSA-N,3,1,0.341,62,3,428.477,3.647,5,0.453,0.78,1.0,0.32128538139949286,0.19734768007675965,0.31318963744774175,0.244945514358166,0.2691920533205401
EOS-3-13489,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)ccn1,SAKPFCYEFLNDFO-UHFFFAOYSA-N,3,1,0.411,46,160,434.822,3.41,5,0.387,0.71,1.0,0.5138441505037352,0.5398790350215886,0.5628555273798918,0.6069494894112809,0.5558820505791241
EOS-3-13490,Cc1ncc(F)cc1-c1cnc(-c2nnc3cncc(Cc4cccc(Cl)c4)n23)cn1,FFYXDGVWTMHHIE-UHFFFAOYSA-N,3,1,0.361,85,81,431.862,4.335,5,0.421,0.72,0.995,0.35247755465698033,0.3812281543417175,0.6608354465081214,0.7404221780549654,0.5337408333904461
EOS-3-13491,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)cc1,CFGMGDVOYGRPRG-UHFFFAOYSA-N,3,1,0.314,10,118,453.416,3.774,6,0.401,0.7,0.719,0.05093036803509012,0.23186382016311424,0.5531663354122405,0.6711243232129395,0.37677121170584604
EOS-3-13492,N#Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)cn1,VGHHNXLXRLUCAP-UHFFFAOYSA-N,3,1,0.458,75,454,456.857,2.58,5,0.374,0.72,1.0,0.6973476800767596,0.7408333904461655,0.24753272565279968,0.2688986361455692,0.4886531080803235
EOS-3-13493,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5F)cn4)n23)cc1F,QGUHWANJQLNVRQ-UHFFFAOYSA-N,3,1,0.57,59,210,434.381,4.245,5,0.412,0.76,1.0,0.9558803371941608,0.9641902542663285,0.907468645055171,0.9160527037214722,0.9358979850592831
EOS-3-13494,COCc1ncc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cc1F,RGMQXHJJXQGCBQ-UHFFFAOYSA-N,3,1,0.542,68,127,434.353,3.465,4,0.43,0.71,1.0,0.8414861901171955,0.8518093345212803,0.9543725584264272,0.8596909053526146,0.8768397471043794
EOS-3-13495,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)n1,NPIDVWWAFKUFMB-UHFFFAOYSA-N,3,1,0.506,20,658,429.419,2.502,5,0.401,0.69,1.0,0.7576502638612843,0.8242324035364266,0.1946148310602426,0.189988691659242,0.4916215475292989
EOS-3-13496,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4Cl)n23)nc1,JWGGHACLVUJMOX-UHFFFAOYSA-N,3,1,0.321,42,608,466.896,3.759,6,0.386,0.76,1.0,0.17821773696114043,0.28300836131862106,0.3131982043725584,0.3687461448838325,0.2857926118840381
EOS-3-13497,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ncn2)n1C,YAIDGZZJUCZZDK-UHFFFAOYSA-N,3,1,0.529,46,488,434.41,3.147,5,0.419,0.69,0.998,0.60008738263313,0.4095932424097046,0.5628640943047084,0.5039664861901172,0.519127801384415
EOS-3-13498,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncc(F)c5)c4)n23)cc1,CDIZSBDQTWTVNG-UHFFFAOYSA-N,3,1,0.343,62,302,450.477,4.552,6,0.425,0.76,1.0,0.2793074497978206,0.1712014255362895,0.5856435473922281,0.6711328901377561,0.4268213282160236
EOS-3-13499,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)nc1,VBLLKPKSWRVSRB-UHFFFAOYSA-N,3,1,0.295,42,171,418.424,2.891,6,0.429,0.75,0.992,0.007333287643067644,0.04403399355767254,0.2154324583647454,0.25397505311493385,0.13019369817010484
EOS-3-13500,CCc1ncc(-c2ccn(F)n2)cc1-c1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,JMZXKPOCGYTZNC-UHFFFAOYSA-N,3,1,0.333,74,768,446.421,3.25,5,0.443,0.66,0.993,0.18978308546364198,0.24732711945719965,0.4981838119388664,0.4446062641354259,0.3449750702487835
EOS-3-13501,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(Cl)n5)cc4F)n23)cc1F,ODGIJXMBGGPNOQ-UHFFFAOYSA-N,3,1,0.347,96,648,462.847,4.551,5,0.395,0.8,1.0,0.357309300253581,0.4049328353094373,0.9032023164964704,0.9160612706462888,0.6453764306764443
EOS-3-13502,Cc1cccc(-c2ccc(-c3nnc4cncc(Cc5ccc(-c6cncnn6)cc5)n34)nc2)n1,ZZRFWNVRXINDLR-UHFFFAOYSA-N,3,1,0.298,32,532,457.501,4.0,6,0.382,0.74,0.838,0.14793365773421974,0.05129017887739017,0.42025049688163935,0.39133712562538553,0.2527028647796587
EOS-3-13503,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(C(F)(F)F)nc3)n12,LYFRDRYVSREZKF-UHFFFAOYSA-N,3,1,0.564,68,900,420.782,4.141,4,0.493,0.71,1.0,0.9325526009183743,0.9468764992118429,0.9350541429648414,0.8661589335891988,0.9201605441710644
EOS-3-13504,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccccc5C#N)n34)c(Cl)c2)n[nH]1,QNSASIQMNUZXNC-UHFFFAOYSA-N,3,1,0.483,43,250,442.87,3.989,5,0.437,0.75,1.0,0.795079158385306,0.8383935302583785,0.6744996915907066,0.6799139880748406,0.7469715920773079
EOS-3-13505,Cc1noc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cncnn6)cn5)n34)c2)n1,SOIFXPIZQXMSPL-UHFFFAOYSA-N,3,1,0.253,86,421,435.411,2.459,6,0.402,0.7,0.999,0.12325234733739977,0.06300116510177507,0.11734973613871565,0.11553354807758207,0.10478419916386814
EOS-3-13506,Clc1ccc(CCOc2cncc3nnc(-c4ncccc4-c4ccccn4)n23)nn1,OMTCBQITUGMIIQ-UHFFFAOYSA-N,3,1,0.435,58,132,430.859,3.313,5,0.404,0.7,0.956,0.5917517647865123,0.6115927626619149,0.17502227400452333,0.25089952710575014,0.40731658213967514
EOS-3-13508,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cn1,VNUOPNILFQYPBF-UHFFFAOYSA-N,3,1,0.314,39,972,450.441,3.245,6,0.402,0.7,1.0,0.16181207593722158,0.21158590912206154,0.21890206291549585,0.30821225412925773,0.22512807552600916
EOS-3-13509,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)n1,MSNQFLCUUPFBSH-UHFFFAOYSA-N,3,1,0.382,92,986,468.481,1.848,6,0.379,0.75,1.0,0.30347474470564045,0.15565245699403743,0.02009800561990268,0.01614865327941882,0.12384346514974985
EOS-3-13510,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cnc(OC)cn5)n4)n23)c(Cl)c1,FDNIVHFDLCNLJW-UHFFFAOYSA-N,3,1,0.356,29,849,474.872,2.122,5,0.401,0.74,0.974,0.4713864711123295,0.4189568912343225,0.09833972997052978,0.06623946268247549,0.2637306387499143
EOS-3-13511,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,KRLGHRSJZCRWDJ-UHFFFAOYSA-N,3,1,0.346,3,783,434.438,4.24,6,0.413,0.73,1.0,0.03742889452402166,0.2021537248989103,0.5950842985401961,0.6593362346652045,0.3735007881570831
EOS-3-13512,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)cn1,CKXMLPUMFIOAPT-UHFFFAOYSA-N,3,1,0.305,99,754,435.455,2.444,6,0.414,0.65,1.0,0.09967617024192996,0.034104927695154545,0.08650880679871154,0.0810602426153108,0.07533753683777672
EOS-3-13513,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)nc5)n34)cc2)nn1,RHFUQXOWEKRNAG-UHFFFAOYSA-N,3,1,0.3,98,727,435.455,2.444,6,0.414,0.65,1.0,0.0630439997258584,0.05129874580220684,0.15881365225138785,0.13997498457953533,0.10328284558974711
EOS-3-13514,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4)n23)cn1,VXKHFEVXHCFQFP-UHFFFAOYSA-N,3,1,0.305,99,754,435.455,2.444,6,0.414,0.65,1.0,0.09968473716674663,0.034113494619971214,0.0865173737235282,0.08106880954012748,0.07534610376259337
EOS-3-13515,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnc(CO)cn5)nc4)n23)ccc1F,DLCUZLOKSAPCRJ-UHFFFAOYSA-N,3,1,0.473,7,464,444.43,2.557,5,0.421,0.7,1.0,0.645680556507436,0.6691881982043726,0.36886608183126585,0.2778596395038037,0.4903986190117196
EOS-3-13516,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c1F,XAFYOWLBAYOHRU-UHFFFAOYSA-N,3,1,0.325,67,642,452.457,3.188,6,0.405,0.67,1.0,0.21189431841546158,0.23684120348159823,0.32066856281269274,0.33653450757316156,0.27648464807072853
EOS-3-13517,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)nn1,ZEEMGGWJOGTEFU-UHFFFAOYSA-N,3,1,0.734,91,742,445.433,3.851,5,0.392,0.73,1.0,0.9184942772942225,0.854884860530464,0.7219775889246796,0.6914793365773422,0.7967090158316771
EOS-3-13518,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(C)nn5)cc4F)n23)cn1,GOXKGXVQVAVLSK-UHFFFAOYSA-N,3,1,0.477,4,677,428.431,3.373,5,0.42,0.71,1.0,0.594750188472346,0.6496470426975532,0.40247412788705367,0.32356418340072646,0.49260888561441984
EOS-3-13519,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cn2)cn1C,ZXIJBFBPOXTWOR-UHFFFAOYSA-N,3,1,0.296,98,373,449.482,2.753,6,0.403,0.67,1.0,0.16452779110410526,0.12258412720169967,0.0842557055719279,0.07937255842642725,0.11268504557604003
EOS-3-13520,Cn1cc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,KHMCHFJCLBGSJD-UHFFFAOYSA-N,3,1,0.562,4,32,423.889,3.881,5,0.426,0.8,1.0,0.4361592762661915,0.7130251524912617,0.38047426495785075,0.42565622644095674,0.4888287300390652
EOS-3-13521,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cc2)n1,PJANCXMYSALMGZ-UHFFFAOYSA-N,3,1,0.329,9,98,445.49,4.019,6,0.404,0.74,1.0,0.07441230895757658,0.034122061544787884,0.3768076211363169,0.34283976423822904,0.2070454389692276
EOS-3-13522,Cn1ncnc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(F)c1,FNHZRUDXACKMOS-UHFFFAOYSA-N,3,1,0.308,33,523,473.447,2.819,6,0.417,0.69,0.871,0.17251216503323966,0.24221266534164895,0.1946233979850593,0.27786820642862037,0.22180410869714207
EOS-3-13523,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cn(C)nc5C)n4)n23)cn1,CKRUEVFWPYBPRJ-UHFFFAOYSA-N,3,1,0.494,4,205,430.447,3.317,5,0.422,0.72,1.0,0.402285655541087,0.4544667945994106,0.3058306490302241,0.22162634500719622,0.34605236104447945
EOS-3-13524,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NCCO)cn5)n34)cc2F)cnn1,KVAPKGDVGBLXIG-UHFFFAOYSA-N,3,1,0.313,74,768,470.468,2.48,5,0.387,0.76,1.0,0.2957730792954561,0.17574189568912343,0.3914227948735522,0.317541635254609,0.2951198512781852
EOS-3-13525,Cc1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cnn1C,WRZDWRZHBBKIEL-UHFFFAOYSA-N,3,1,0.298,94,165,446.478,3.414,6,0.405,0.7,1.0,0.05249811527654033,0.055222397368240694,0.28790007538893836,0.24495408128298266,0.1601436673291755
EOS-3-13526,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)c5)cc4F)n23)cc1,XFTDWTJBIOAACI-UHFFFAOYSA-N,3,1,0.388,62,3,458.884,4.672,5,0.395,0.82,1.0,0.3113134809128915,0.4003580974573367,0.8704252621478994,0.8530429716948804,0.608784953053252
EOS-3-13527,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nc5)n34)nc2)c1,YGLFXXDPJVYNRF-UHFFFAOYSA-N,3,1,0.342,32,327,446.449,4.511,6,0.393,0.8,1.0,0.22851415255979712,0.3619354396545816,0.6878126927558084,0.7217120142553629,0.4999935748063875
EOS-3-13528,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)nn1,IICKXJLOXFOWEW-UHFFFAOYSA-N,3,1,0.281,76,368,444.462,3.471,6,0.402,0.68,1.0,0.07258755397162635,0.051307312727023505,0.20857891851141114,0.22433349324926324,0.13920181961483105
EOS-3-13529,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(F)cn5)nn4)n23)nc1,XITZPSORWTYMSI-UHFFFAOYSA-N,3,1,0.416,33,760,460.433,1.63,5,0.384,0.67,0.997,0.10480775820711398,0.11295490370776506,0.06254711808649167,0.04106127064628881,0.08034276266191487
EOS-3-13530,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ncnc(-c5nccs5)n4)n23)cc1,LVSBUWVBFCTRTQ-UHFFFAOYSA-N,3,1,0.266,94,136,436.464,3.224,6,0.41,0.68,0.38,0.07259612089644302,0.09062949763552874,0.045884449318072784,0.08107737646494415,0.07254686107874717
EOS-3-13531,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ncc(F)cn5)nn4)n23)cn1,AZNFLHNDHROUCQ-UHFFFAOYSA-N,3,1,0.293,86,312,440.406,1.764,6,0.402,0.66,1.0,0.023978822561853196,0.1295233363032006,0.08426427249674456,0.09990747721197998,0.08441847714344458
EOS-3-13532,Cc1noc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)n1,LUNDTJFYEIFSAG-UHFFFAOYSA-N,3,1,0.329,86,790,434.423,3.064,6,0.407,0.69,1.0,0.17252073195805634,0.14034336234665204,0.09834829689534645,0.09774004523336303,0.12723810910835448
EOS-3-13533,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,QNXPKUXYQFPXPM-UHFFFAOYSA-N,3,1,0.505,11,132,447.861,4.057,5,0.387,0.76,1.0,0.6943920910150092,0.827907614282777,0.6342265780275512,0.7242992255499966,0.7202063772188335
EOS-3-13534,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(C(F)(F)F)nn5)c4)n23)cc1,YKRRQNDRCACWFO-UHFFFAOYSA-N,3,1,0.374,62,3,475.434,4.294,5,0.416,0.79,1.0,0.31652217120142556,0.3188866424508259,0.9130714138852717,0.789921869645672,0.5846005242957988
EOS-3-13535,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cccnc4)c3)n12,AEUJLPZCLVVWNZ-UHFFFAOYSA-N,3,1,0.573,35,161,430.418,4.148,5,0.403,0.77,1.0,0.9505945445822768,0.9468850661366596,0.8745459529847166,0.8694914673428826,0.9103792577616339
EOS-3-13536,Cn1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1-c1cccc(CO)c1,LOHRJHSTOYMBED-UHFFFAOYSA-N,3,1,0.396,13,145,434.406,3.755,5,0.453,0.75,1.0,0.45721677746556094,0.4633763964087451,0.8350695634295113,0.8142776368994585,0.642485093550819
EOS-3-13537,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)ncn4)n23)cc1F,UGWVTNKJNUOQSW-UHFFFAOYSA-N,3,1,0.449,36,463,460.433,1.454,5,0.399,0.66,1.0,0.4503461037625934,0.337733877047495,0.12305530806661641,0.07751353574121034,0.2471622061544788
EOS-3-13538,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccno5)cn4)n23)c(F)c1,WYELANAJSDVYEM-UHFFFAOYSA-N,3,1,0.329,42,314,439.414,3.443,6,0.411,0.68,1.0,0.2393598793776986,0.3136351175382085,0.4313189637447742,0.44151360427660885,0.35645689123432256
EOS-3-13539,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(C#N)c5)n34)nc2C)cn1,QCYCSGLHEUPMGF-UHFFFAOYSA-N,3,1,0.413,89,348,434.463,3.711,5,0.411,0.71,1.0,0.5501250771023234,0.39515797409361936,0.4981923788636831,0.4098074155301213,0.46332071139743675
EOS-3-13540,Cc1nc(-c2cnnnc2Cl)cc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,XPKVGCQBLOSCBI-UHFFFAOYSA-N,3,1,0.366,74,333,444.846,2.161,5,0.439,0.6,1.0,0.15101775066822012,0.15164313617983688,0.1588222191762045,0.14953567267493661,0.15275469467479955
EOS-3-13541,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccccn6)n5)n34)cc2)n1,MVHRMNWBBWUGJV-UHFFFAOYSA-N,3,1,0.291,8,136,445.45,2.866,6,0.399,0.65,1.0,0.11805222397368241,0.08766534164896168,0.07731649647042697,0.08272222602974437,0.09143907203070387
EOS-3-13542,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4)n23)nc1,WECXXHHHPSZGEB-UHFFFAOYSA-N,3,1,0.263,99,652,435.455,2.444,6,0.414,0.64,0.999,0.06474025083955863,0.023430539373586457,0.08652594064834487,0.08273079295456102,0.06435688095401275
EOS-3-13543,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4cccc(F)c4)ncn3)n12,PACRHHOHCFAKSS-UHFFFAOYSA-N,3,1,0.495,44,130,430.447,3.051,5,0.408,0.73,0.997,0.3848433966143513,0.34765437598519633,0.25477177712288396,0.2629103556987184,0.3125449763552875
EOS-3-13544,Cc1ccc(-c2nnc3cncc(-c4nccnc4OCCc4cc(Cl)ccn4)n23)cn1,ZEIOLNXVTWXTEO-UHFFFAOYSA-N,3,1,0.376,82,304,444.886,3.622,5,0.391,0.73,0.893,0.5089438695086012,0.592685559591529,0.2511908025495168,0.2747498457953533,0.40689251936125004
EOS-3-13545,Cc1ncoc1-c1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,CASJNCVNORMVOV-UHFFFAOYSA-N,3,1,0.563,89,398,467.489,3.621,6,0.385,0.78,1.0,0.352486121581797,0.0845212802412446,0.15267116715783702,0.12469159070659996,0.17859253992186963
EOS-3-13546,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cn5)n34)nc2)n1C,JHOPVTNJGQUVFM-UHFFFAOYSA-N,3,1,0.245,70,652,434.467,3.347,6,0.452,0.67,0.931,0.0996933040915633,0.08767390857377835,0.23684120348159823,0.19532588582002605,0.15488357549174148
EOS-3-13547,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cc2F)cn1,XXYBADXETDIYSO-UHFFFAOYSA-N,3,1,0.5,75,795,428.431,3.107,5,0.406,0.7,1.0,0.8342471386471112,0.8279161812075937,0.3022411075320403,0.277876773353437,0.5605703001850456
EOS-3-13548,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)cnn4)n23)ccc1Cl,LAVWJFQQFXVTJU-UHFFFAOYSA-N,3,1,0.462,36,404,433.863,2.918,5,0.416,0.69,1.0,0.3165307381262422,0.5778048111849771,0.33889041189774516,0.3554759783428141,0.39717548488794463
EOS-3-13549,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cn1,DPAHUSIEOFGGJW-UHFFFAOYSA-N,3,1,0.522,65,282,444.886,3.622,5,0.391,0.72,1.0,0.8485453361661298,0.8860427660886848,0.4276694537728737,0.4063720786786375,0.6421574086765814
EOS-3-13550,Cn1cc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cn2)cn1,RZRCRDCIERZJRA-UHFFFAOYSA-N,3,1,0.231,86,953,421.428,2.23,6,0.425,0.72,1.0,0.00582550887533411,0.002475841272016997,0.11432561167843192,0.12237852100609965,0.06125137070797067
EOS-3-13552,Cc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n(C)n2)nn1,JONHFNHENSEAAI-UHFFFAOYSA-N,3,1,0.379,53,105,434.851,2.313,5,0.41,0.69,0.751,0.36644164210814884,0.48963402097183195,0.021057501199369475,0.03630662737303817,0.2283599479130971
EOS-3-13553,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cnc4-c4ccccc4F)n23)cc1OC,DQLYARBOGPYXBC-UHFFFAOYSA-N,3,1,0.346,62,3,472.455,4.167,5,0.413,0.81,1.0,0.5662565965321088,0.49913474059351653,0.7425724761839491,0.6510006168185868,0.6147411075320403
EOS-3-13554,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cc(F)n2)o1,WMFCIBGOQNVRAM-UHFFFAOYSA-N,3,1,0.432,4,97,447.39,1.757,5,0.38,0.71,1.0,0.4839712836680145,0.3327222260297444,0.08907031731889521,0.054160098690973886,0.23998098142690702
EOS-3-13555,Cc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccnc(-c5cnccn5)n4)n23)cn1,BYRVXGHYVHBEDA-UHFFFAOYSA-N,3,1,0.275,86,459,445.45,2.866,6,0.399,0.68,0.716,0.10230621616064697,0.07399252964155986,0.12571105475978342,0.12238708793091632,0.10609922212322664
EOS-3-13556,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)nc1,ODPKDSSDHHDPAF-UHFFFAOYSA-N,3,1,0.415,33,457,409.837,2.563,4,0.487,0.88,1.0,0.384851963539168,0.28828558700568846,0.16834007264752243,0.1309882804468508,0.2431164759098074
EOS-3-13557,Cc1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)cn1,RNSIMGMAPNGSCA-UHFFFAOYSA-N,3,1,0.354,82,204,429.509,3.908,5,0.462,0.71,1.0,0.15649201562607087,0.14770235076416968,0.43132753066959084,0.23630148721814817,0.24295584606949489
EOS-3-13558,Cc1ncc(-c2cc(F)ccc2-c2nnc3cncc(-c4nccc(CO)n4)n23)c(F)n1,PIISCJYYJGXALZ-UHFFFAOYSA-N,3,1,0.315,50,261,432.394,2.784,5,0.431,0.66,1.0,0.39598896580083615,0.4633849633335618,0.47753752313069703,0.47866835720649714,0.453894952367898
EOS-3-13559,Cc1cc(-c2nnc3cncc(OCc4ccnc(-c5ccnnc5)n4)n23)ccc1Cl,LFHOZHXXPDGQRA-UHFFFAOYSA-N,3,1,0.494,4,677,430.859,3.579,5,0.416,0.71,1.0,0.6256253855116167,0.8279247481324103,0.4740507847303132,0.4786769241313138,0.6015694606264135
EOS-3-13560,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)c(F)n1,XQHGUFQCOLFRHH-UHFFFAOYSA-N,3,1,0.443,90,636,460.832,2.279,4,0.417,0.63,1.0,0.49635905695291616,0.43240696319649097,0.14342745528065245,0.16032143101912139,0.30812872661229523
EOS-3-13561,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)cn1,HERKKPZTCIUEAC-UHFFFAOYSA-N,3,1,0.612,35,4,427.443,3.712,5,0.408,0.74,1.0,0.9129343430882051,0.9300938934959907,0.6579997943938044,0.5856349804674115,0.7716657528613529
EOS-3-13562,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nn2)nc1,FXZMRBLUGFCLAS-UHFFFAOYSA-N,3,1,0.324,76,944,430.435,3.162,6,0.415,0.67,1.0,0.10481632513193065,0.11582482352134878,0.2189106298403125,0.2422040984168323,0.17043896922760607
EOS-3-13563,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cn(C)nc5C)nc4)n23)nc1,UJYAPOINRWROJM-UHFFFAOYSA-N,3,1,0.394,33,760,456.47,1.624,5,0.404,0.66,0.523,0.27138304434240285,0.08768247549859502,0.04259475018847234,0.010622986772668083,0.10307081420053459
EOS-3-13564,FC(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nccnn5)c4)n23)cc1,VQOLVELLFVUUQS-UHFFFAOYSA-N,3,1,0.582,43,138,431.406,4.16,5,0.399,0.76,1.0,0.9082825029127545,0.7670738811596189,0.8690202864779659,0.8202145157974093,0.8411477965869372
EOS-3-13565,Fc1cccnc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,CWJMURVGXYMVQH-UHFFFAOYSA-N,3,1,0.411,18,88,448.849,3.452,5,0.389,0.69,1.0,0.6611781235007882,0.6116013295867315,0.3804828318826674,0.46682030018504556,0.5300206462888082
EOS-3-13566,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cc2)n1C,XJPJGMXXJNZACT-UHFFFAOYSA-N,3,1,0.315,3,289,451.469,3.887,6,0.404,0.71,1.0,0.054194366390240556,0.21655472551572888,0.3989274210129532,0.409815982454938,0.2698731238434652
EOS-3-13567,N#Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(F)c(F)c5)cn4)n23)nc1,OMQRJZBXDHSLRZ-UHFFFAOYSA-N,3,1,0.34,96,586,427.374,4.19,5,0.424,0.76,1.0,0.47417072167774654,0.6116098965115482,0.9093790692892879,0.9081454321156878,0.7258262798985676
EOS-3-13568,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)nc2)nn1,BBUYWISXMUIWJY-UHFFFAOYSA-N,3,1,0.274,99,866,454.433,1.978,6,0.392,0.65,0.998,0.08751113700226167,0.20673702967582758,0.12844390377630047,0.16280583921595504,0.1463744774175862
EOS-3-13569,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ccc(-c4cnn(C)c4)nc3)n12,MXWAOKAKVKOCKS-UHFFFAOYSA-N,3,1,0.322,42,608,461.489,3.719,6,0.382,0.74,1.0,0.1048248920567473,0.04770063737920636,0.4165581522856555,0.2988057706805565,0.2169723631005414
EOS-3-13570,Cn1nc(-c2ncnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ILYBPSVPVWKKPV-UHFFFAOYSA-N,3,1,0.549,36,404,421.852,2.553,5,0.429,0.73,1.0,0.5474436296347063,0.717634158042629,0.12009971900486602,0.17075594544582276,0.388983363032006
EOS-3-13571,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)c(OC)n1,XJOGCSYOUXGCPR-UHFFFAOYSA-N,3,1,0.287,50,997,446.406,1.336,5,0.396,0.67,1.0,0.1590363922966212,0.2571019806730176,0.07069426358714276,0.03739462682475499,0.13105681584538414
EOS-3-13572,Cc1ccc(-c2cnc(-c3nnc4cncc(-c5cnn(-c6cnccn6)c5)n34)cn2)nc1,HOVQUPOVLWAZBH-UHFFFAOYSA-N,3,1,0.25,86,513,433.439,2.594,6,0.412,0.66,1.0,0.0001713384963333562,0.004626139401000617,0.14054040161743542,0.13533171132890137,0.07016739771091769
EOS-3-13573,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cnc(Cl)cn5)c4)n23)nc1,KKUKIXXAPGPZBR-UHFFFAOYSA-N,3,1,0.44,46,348,447.861,4.323,5,0.396,0.74,1.0,0.7695325885820026,0.7130337194160784,0.737286683572065,0.729653553560414,0.7373766362826399
EOS-3-13574,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4snc(-c5cncnc5)c4F)n23)cc1,DQRDTCSPWXNIDT-UHFFFAOYSA-N,3,1,0.383,52,916,472.509,3.327,6,0.404,0.75,0.996,0.10725789870468097,0.20674559660064423,0.08907888424371188,0.14713693372626963,0.1375548283188267
EOS-3-13575,CCc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4F)n23)cc(-c2cncc(C)n2)n1,SZWLZENZOYNQCC-UHFFFAOYSA-N,3,1,0.342,74,333,468.496,3.68,5,0.419,0.71,1.0,0.20345589747104378,0.23187238708793093,0.34631793571379615,0.2333972997052978,0.2537608799945172
EOS-3-13576,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)nn1,OXFFITSOJHQPTG-UHFFFAOYSA-N,3,1,0.61,19,691,447.861,4.057,5,0.387,0.74,0.984,0.7752381605099034,0.8164707696525255,0.5663851004043589,0.6770269344116236,0.7087802412446029
EOS-3-13577,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)c1,UFLHKMISPFVEJR-UHFFFAOYSA-N,3,1,0.6,19,56,447.861,4.057,5,0.387,0.74,1.0,0.9251422109519567,0.9626396408745117,0.6608440134329381,0.7082191076691111,0.8142112432321295
EOS-3-13578,Fc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)ncn2)c1,HLCFMGXAKKUEIH-UHFFFAOYSA-N,3,1,0.376,13,971,437.797,4.367,5,0.412,0.75,0.996,0.6855338907545747,0.6838205057912412,0.8676581454321157,0.8988674525392365,0.7839699986292921
EOS-3-13579,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)nn4)n23)cc1,HHOPGKPIKJWZBM-UHFFFAOYSA-N,3,1,0.471,27,343,433.382,2.95,5,0.398,0.67,1.0,0.7491947090672332,0.6838290727160579,0.5792783222534439,0.5406243574806388,0.6382316153793434
EOS-3-13580,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cccc(C)n5)c4)n23)cn1,TUADACMNXLKUQX-UHFFFAOYSA-N,3,1,0.494,1,92,426.455,4.583,5,0.409,0.84,1.0,0.757658830786101,0.7584641217188678,0.7565194297854843,0.6651874443149887,0.7344574566513604
EOS-3-13581,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(C#N)c5)n34)c2)cn1,BRYAQMOACZDOFU-UHFFFAOYSA-N,3,1,0.43,46,181,438.426,3.542,5,0.409,0.7,1.0,0.7097097525872113,0.6165273113563156,0.7372952504968816,0.6593448015900213,0.6807192790076074
EOS-3-13582,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,LEDLOWQNNAAXKW-UHFFFAOYSA-N,3,1,0.471,15,482,432.875,3.257,5,0.406,0.69,1.0,0.5889161126721952,0.5724333493249263,0.33168562812692753,0.35548454526763074,0.46212990884791993
EOS-3-13583,COc1cccc(-c2nccnc2COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c1,MUDUCXVYBHWAKF-UHFFFAOYSA-N,3,1,0.439,4,205,454.45,2.33,5,0.392,0.7,0.999,0.4337005688438078,0.1757504626139401,0.15556678774587074,0.0827393598793777,0.21193929477074908
EOS-3-13585,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)cc4Cl)n23)cc1,YXHYCQBGHBBEEH-UHFFFAOYSA-N,3,1,0.518,89,389,429.871,4.184,5,0.413,0.74,1.0,0.8809797135220341,0.7839764238229046,0.6406946062641354,0.6423480227537524,0.7369996915907066
EOS-3-13586,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ncc(F)cn5)n4)n23)cc1,UGMPUWOGKBEWRK-UHFFFAOYSA-N,3,1,0.316,98,882,440.406,1.764,6,0.402,0.63,1.0,0.027422726338153656,0.13292440545541773,0.04589301624288945,0.06008841066410801,0.06658213967514222
EOS-3-13587,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)c1,YQOBHFZOQLKYSD-UHFFFAOYSA-N,3,1,0.364,10,871,451.881,4.149,6,0.397,0.76,0.708,0.03344527448427113,0.18412034815982456,0.442567336029059,0.5635066136659584,0.3059098930847783
EOS-3-13588,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)cc1,UTOVVYVVORCAMP-UHFFFAOYSA-N,3,1,0.33,29,849,475.875,3.058,5,0.371,0.79,1.0,0.2337142759235145,0.2473356863820163,0.21544102528956205,0.22163491193201287,0.22953147488177644
EOS-3-13589,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccsc5)cn4)n23)cc1)N1CCCCC1,QHFOLLVRSMIDLT-UHFFFAOYSA-N,3,1,0.333,52,376,467.558,4.603,6,0.384,0.85,1.0,0.01442670139126859,0.007915838530601056,0.003812281543417175,0.02834795421835378,0.01362569392091015
EOS-3-13590,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)cc2)n1,BCGVFTYUBLSKKG-UHFFFAOYSA-N,3,1,0.313,3,973,452.869,3.544,6,0.373,0.75,1.0,0.06128778013844151,0.17120999246110616,0.24754129257761634,0.38156226440956753,0.21540033239668288
EOS-3-13591,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)cc(C(F)(F)F)c4)n23)cn1,YHPHBLHVVGNNQH-UHFFFAOYSA-N,3,1,0.341,61,917,480.414,2.422,5,0.415,0.82,1.0,0.2309985607566308,0.31364368446302515,0.6254797477897334,0.46975018847234595,0.40996804537043385
EOS-3-13592,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(COc5ccnc(F)c5)n34)c2)cn1,YUROKJCOQITLMG-UHFFFAOYSA-N,3,1,0.369,14,767,431.406,3.809,5,0.391,0.76,1.0,0.4839798505928312,0.5217085874854362,0.7544291001302172,0.6998577890480433,0.614993831814132
EOS-3-13593,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)cc1,LADQWFXCQZHFFI-UHFFFAOYSA-N,3,1,0.325,10,952,453.857,2.939,6,0.396,0.69,1.0,0.023987389486669865,0.1973562470015763,0.1650846412171887,0.28378795147693786,0.1675540572955932
EOS-3-13594,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2Cl)cn1,UJZSDYVCQHHOIK-UHFFFAOYSA-N,3,1,0.595,35,393,443.898,4.227,5,0.388,0.76,1.0,0.8342557055719279,0.8886728120074018,0.6077890480433144,0.5887276403262285,0.7298613014872181
EOS-3-13595,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5)n34)nc2)ccn1,RNIILVIRSNWCDV-UHFFFAOYSA-N,3,1,0.262,42,174,444.502,4.624,6,0.394,0.81,1.0,0.10231478308546364,0.030952299362620794,0.5429631279555891,0.48499931464601465,0.29030738126242206
EOS-3-13596,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)cc1,OUPACPUFBAHGPC-UHFFFAOYSA-N,3,1,0.345,93,228,444.502,4.624,6,0.394,0.81,1.0,0.1395809060379686,0.13293297238023438,0.5362637927489549,0.5731358371598931,0.34547837708176277
EOS-3-13597,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cn2)s1,PPGHJEFLNWGIIJ-UHFFFAOYSA-N,3,1,0.494,59,483,437.435,3.87,5,0.412,0.75,1.0,0.772462476869303,0.7361215817969982,0.522668083064903,0.5307381262422041,0.640497566993352
EOS-3-13598,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnnc6)nc5)n34)cc2)nc1,SHUYNZYWQSXFCR-UHFFFAOYSA-N,3,1,0.333,42,762,447.437,3.906,6,0.4,0.71,1.0,0.34335377972722914,0.36684428757453225,0.5919573709821122,0.582705092180111,0.4712151326159961
EOS-3-13599,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cc1,JVXDQROXBKUUNR-UHFFFAOYSA-N,3,1,0.333,64,757,447.437,3.906,6,0.4,0.71,1.0,0.29032451511205537,0.3668528544993489,0.2804125830991707,0.3941128092659859,0.3329256904941402
EOS-3-13600,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)nc4)n23)cn1,CJMSBBDVORETGN-UHFFFAOYSA-N,3,1,0.346,82,514,413.466,3.336,5,0.485,0.8,0.998,0.19804160098690973,0.09686621890206291,0.2440374203275992,0.19285004454800905,0.18294882119114522
EOS-3-13601,Cc1cnc(-c2cccc(-c3nnc4cncc(COCc5cncc(F)c5)n34)c2)cn1,AHDBXEURSMHXQV-UHFFFAOYSA-N,3,1,0.459,14,351,427.443,3.808,5,0.407,0.73,1.0,0.42724967445685696,0.39055753546706873,0.6227383318483997,0.5668305804948256,0.5018440305667877
EOS-3-13602,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nncn5C)c4)n23)cn1,IRMLYLMGHBSEBZ-UHFFFAOYSA-N,3,1,0.473,92,986,442.443,1.315,5,0.412,0.67,1.0,0.36402576930984853,0.15566102391885409,0.060533890754574736,0.024587074223836613,0.1512019395517785
EOS-3-13603,Cc1nnccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,OURJUOQTTRBHBQ-UHFFFAOYSA-N,3,1,0.333,93,774,430.475,4.409,6,0.412,0.77,1.0,0.007924405455417723,0.051315879651840174,0.5016962511137002,0.5371718867795217,0.27452710575011996
EOS-3-13604,Cn1ccnc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4cnccn4)nc3)n12,GWLDZTGFQCMJOR-UHFFFAOYSA-N,3,1,0.257,86,953,433.439,2.501,6,0.412,0.66,0.975,0.054202933315057225,0.02576930984853677,0.0644832430950586,0.0757144815297101,0.05504249194709067
EOS-3-13605,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c1,ZBLVBFNMZGZWEL-UHFFFAOYSA-N,3,1,0.268,86,899,433.439,2.501,6,0.412,0.66,1.0,0.06860393393187582,0.019138510040435885,0.11433417860324858,0.12470015763141663,0.08169419505174423
EOS-3-13606,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5cncnn5)n4)n23)c1,AKIKGTFTZPSFSX-UHFFFAOYSA-N,3,1,0.297,99,356,440.366,0.61,6,0.375,0.69,0.643,0.002184565828250291,0.09687478582687958,0.01188232472071825,0.03631519429785484,0.03681421766842574
EOS-3-13607,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nn2)cn1,JINGRYPLGPNGBK-UHFFFAOYSA-N,3,1,0.273,86,312,422.416,1.624,6,0.416,0.71,1.0,0.0067507367555342335,0.007924405455417723,0.08908745116852855,0.0862003975053115,0.047490747721198004
EOS-3-13608,Cc1nccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)cn2)n1,MZPXFUSLNWCGJX-UHFFFAOYSA-N,3,1,0.259,86,892,433.439,2.594,6,0.412,0.67,0.963,0.002193132753066959,0.005003084092934,0.09835686382016312,0.09991604413679665,0.05136728120074018
EOS-3-13609,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C=Cc5ccccc5)cn4)n23)nc1,DVJYTZFKXGABOK-UHFFFAOYSA-N,3,1,0.306,52,776,459.513,4.311,6,0.406,0.8,0.999,0.09722602974436297,0.07039442121855939,0.20858748543622782,0.24221266534164895,0.1546051504351998
EOS-3-13610,Cn1c(-c2cc(F)ncc2F)nnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,FFBPBPWESNSJQS-UHFFFAOYSA-N,3,1,0.349,74,295,473.447,2.819,6,0.39,0.76,1.0,0.22262010828592968,0.23684977040641492,0.11735830306353232,0.21871359056952916,0.19888544308135153
EOS-3-13611,Cc1ncc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)nn1,IDWTVMYUFGKMLP-UHFFFAOYSA-N,3,1,0.477,13,145,433.834,4.537,5,0.411,0.77,1.0,0.7067712973750943,0.7670824480844356,0.739839627167432,0.7687358645740525,0.7456073093002535
EOS-3-13612,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)c(F)c1,OFPGFFMBGMRMSW-UHFFFAOYSA-N,3,1,0.567,15,563,430.447,3.225,5,0.391,0.73,1.0,0.6061356315536974,0.5588547734905078,0.18768418888355837,0.1981015694606264,0.38769404084709747
EOS-3-13613,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncs5)n4)n23)c(F)c1,AUTLDAXKGQGHAF-UHFFFAOYSA-N,3,1,0.461,7,401,430.428,3.295,5,0.417,0.77,1.0,0.6973562470015763,0.8202316496470426,0.5792868891782605,0.5731444040847098,0.6675047974778974
EOS-3-13614,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nnnn5C)c4)n23)nc1,NHFQZFQRCFYDJQ-UHFFFAOYSA-N,3,1,0.384,33,760,444.419,0.105,5,0.378,0.7,0.875,0.2847817147556713,0.07400109656637653,0.01016893975738469,0.00312692755808375,0.09301966965937908
EOS-3-13615,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)cc1,RLYVSBMDIPYDQW-UHFFFAOYSA-N,3,1,0.317,64,449,448.425,3.301,6,0.4,0.68,1.0,0.2660201494071688,0.2882941539305051,0.3577633472688644,0.44152217120142556,0.338399955451991
EOS-3-13616,Fc1ccccc1-n1nccc1-c1ccc(-c2nnc3cncc(-c4cccnn4)n23)cc1,VMCBBKRTSFUFGE-UHFFFAOYSA-N,3,1,0.31,3,641,434.438,4.24,6,0.413,0.74,1.0,0.08751970392707834,0.2830169282434377,0.6342351449523679,0.6914879035021588,0.4240649201562607
EOS-3-13618,Cn1cc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)cn1,RNBBGSYQSMMEDV-UHFFFAOYSA-N,3,1,0.284,86,723,432.451,3.106,6,0.418,0.66,1.0,0.057689671715441024,0.0440425604824892,0.24404598725241589,0.23340586663011445,0.14479602152011514
EOS-3-13619,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)n2)n1,WKVLCRCYRJUHMW-UHFFFAOYSA-N,3,1,0.27,99,259,437.431,1.234,6,0.395,0.66,0.998,0.059488725926941266,0.04405112740730587,0.01189089164553492,0.009749160441367966,0.03129497635528751
EOS-3-13620,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cn1,PEIOZPXZUAEGTQ-UHFFFAOYSA-N,3,1,0.561,35,922,429.871,3.918,5,0.404,0.71,1.0,0.8485539030909465,0.9032108834212871,0.5328113220478377,0.5731529710095264,0.7144322698923995
EOS-3-13621,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)nc2)nn1,ZGVCGQPLKIEKSA-UHFFFAOYSA-N,3,1,0.409,54,795,449.837,2.847,5,0.385,0.67,1.0,0.6766242889452402,0.7130422863408951,0.22968782125968062,0.29259475018847236,0.47798728668357204
EOS-3-13622,Cc1cncc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)n1,WMTGUUOIJKPLNK-UHFFFAOYSA-N,3,1,0.311,32,945,433.435,3.669,6,0.41,0.72,1.0,0.13182783907888423,0.14035192927146872,0.12010828592968269,0.16032999794393804,0.1381545130559934
EOS-3-13623,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)cn4)n23)s1,TWCZNCDEHOJUJM-UHFFFAOYSA-N,3,1,0.451,7,775,448.443,2.522,5,0.419,0.68,1.0,0.41101535192927147,0.2217377150298129,0.12845247070111712,0.09992461106161332,0.2152825371804537
EOS-3-13624,Cc1ncc(-c2cccc(-c3nnc4cncc(-c5cnc(C(F)F)nc5)n34)c2)cc1F,POYZOPLWDQZRFE-UHFFFAOYSA-N,3,1,0.326,82,478,433.397,4.695,5,0.409,0.8,1.0,0.34586388869851276,0.4586988554588445,0.8676667123569324,0.820223082722226,0.6231131348091289
EOS-3-13626,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5Cl)nn4)n23)cc1,PWUFPKJYJSYNNY-UHFFFAOYSA-N,3,1,0.31,3,115,453.897,4.093,6,0.399,0.75,1.0,0.029667260640120624,0.1632427523816051,0.45336166129806044,0.547246590363923,0.2983795661709273
EOS-3-13627,COc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cnc(C)cn3)n12,NHXZTDTZGQGKHS-UHFFFAOYSA-N,3,1,0.494,15,846,439.479,3.582,5,0.379,0.75,1.0,0.4177660886848057,0.14771091768898637,0.34248852032074567,0.23631005414296485,0.2860688952093756
EOS-3-13628,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)c(F)c2)n(C)n1,VXEFBJLRJQXJKW-UHFFFAOYSA-N,3,1,0.297,42,608,464.468,3.553,6,0.389,0.74,1.0,0.1510263175930368,0.22174628195462956,0.2189191967651292,0.23341443355493113,0.2062765574669317
EOS-3-13629,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)nn1,GXIGDRIYEQNRAU-UHFFFAOYSA-N,3,1,0.282,99,952,454.845,2.334,6,0.39,0.69,0.519,0.004549037077650606,0.11296347063258173,0.05850352957302447,0.13763621410458501,0.07841306284696045
EOS-3-13630,c1ccc(-c2ncncc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cc1,FOIQOPJVCIKRIM-UHFFFAOYSA-N,3,1,0.283,30,174,428.459,4.372,6,0.411,0.81,0.979,0.13183640600370092,0.07040298814337605,0.5194811870331026,0.570043177301076,0.3229409396203139
EOS-3-13631,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc(-c2cncc(F)c2)c1=O,HKALCHFDESXZIY-UHFFFAOYSA-N,3,1,0.533,84,159,461.432,2.847,5,0.383,0.73,1.0,0.3733808512096498,0.13646254540470154,0.4882633130011651,0.5601997806867247,0.3895766225755603
EOS-3-13632,COc1ncncc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)nn1C,DOKYVWMYEZQZLJ-UHFFFAOYSA-N,3,1,0.396,95,956,436.382,3.061,5,0.414,0.7,1.0,0.3780583921595504,0.34766294291001304,0.47405935165512986,0.41929100130217256,0.4047679220067165
EOS-3-13633,Cn1nccc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1,BCUDSIGIYUYCDR-UHFFFAOYSA-N,3,1,0.512,73,391,436.838,3.353,5,0.417,0.69,1.0,0.7035244328695771,0.8314286203824275,0.5089781372078679,0.5342162977177712,0.6445368720444109
EOS-3-13634,N#Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)nc1,OOIZSBGOEFFXAJ-UHFFFAOYSA-N,3,1,0.379,44,971,444.817,4.1,5,0.407,0.74,1.0,0.679545610307724,0.6987612226715099,0.822596120896443,0.8476029744362964,0.7621264820779933
EOS-3-13635,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)nc1,FMXCAFXYYYKVAA-UHFFFAOYSA-N,3,1,0.257,10,871,421.428,2.229,6,0.425,0.69,0.824,0.012053663217051607,0.021177438146802823,0.05106743883215681,0.06810705229250909,0.03810139812213008
EOS-3-13636,COc1ncc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1-c1ccc(C)nn1,GNHIXCQLWBGZEN-UHFFFAOYSA-N,3,1,0.5,43,483,443.442,3.678,5,0.392,0.76,1.0,0.6518230416009869,0.6210677815091494,0.512507710232335,0.40638064560345416,0.5479447947364814
EOS-3-13637,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cnn4)n23)cn1,OWXOYCUHNYMUDM-UHFFFAOYSA-N,3,1,0.27,99,719,434.427,1.896,6,0.404,0.67,0.734,0.07068569666232609,0.040478719758755395,0.09836543074497978,0.10614419847851415,0.07891851141114385
EOS-3-13638,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)nc1,CYEOIWGATJEOTK-UHFFFAOYSA-N,3,1,0.286,86,114,434.427,1.896,6,0.404,0.64,0.993,0.087528270851895,0.05912034815982455,0.021914193681036254,0.03108080323487081,0.04991090398190665
EOS-3-13639,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nn2)nn1,GOQINODCUVNANI-UHFFFAOYSA-N,3,1,0.299,70,14,433.439,2.501,6,0.412,0.67,0.996,0.017887739017202385,0.021186005071619492,0.14054896854225207,0.16033856486875472,0.08499031937495716
EOS-3-13640,c1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)nc1,CKMLLTPYDPWXQN-UHFFFAOYSA-N,3,1,0.33,32,368,428.459,4.372,6,0.411,0.78,1.0,0.06861250085669249,0.09688335275169625,0.45678843122472756,0.4819066547871976,0.27604773490507845
EOS-3-13641,Fc1ncccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nn1,FQEQJFABCDXHPC-UHFFFAOYSA-N,3,1,0.346,38,620,435.426,3.635,6,0.39,0.72,1.0,0.009886231238434651,0.15566959084367077,0.5328198889726544,0.5856435473922281,0.321004814611747
EOS-3-13642,N#Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cn1,UPPOMJWBZLQOOE-UHFFFAOYSA-N,3,1,0.421,59,207,442.389,3.372,5,0.407,0.68,1.0,0.7281800424919471,0.6642193818107053,0.860401960112398,0.8459238571722295,0.77468131039682
EOS-3-13643,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)nc1,JLWLQDYMWAFZOX-UHFFFAOYSA-N,3,1,0.314,39,972,450.441,3.245,6,0.402,0.67,0.998,0.09488725926941265,0.197364813926393,0.2768915769995203,0.35249468850661364,0.2304095846754849
EOS-3-13644,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5ccccc5)nn4)n23)c(F)c1,HFRWANYDQDFCRN-UHFFFAOYSA-N,3,1,0.359,8,642,450.441,3.245,6,0.402,0.67,1.0,0.23100712768144746,0.3476715098348297,0.2547803440477006,0.33968713590569527,0.2932865293674182
EOS-3-13645,Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ncc(F)c(C)n5)c(F)c4)n23)cn1,DUFFRSZGNNUFSX-UHFFFAOYSA-N,3,1,0.494,73,82,446.421,3.512,5,0.404,0.68,1.0,0.9224093619354397,0.7882770200808717,0.505182989514084,0.41615550681927216,0.6580062195874169
EOS-3-13646,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)cn1,PFBFVKHCAFWYPC-UHFFFAOYSA-N,3,1,0.346,98,882,453.445,2.583,6,0.4,0.65,1.0,0.23101569460626414,0.32817318895209374,0.18113905832362415,0.1981101363854431,0.23460951956685624
EOS-3-13647,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cn5)n34)c(F)c2)nn1,VEZLXLZEMUSVRA-UHFFFAOYSA-N,3,1,0.317,98,968,453.445,2.583,6,0.4,0.65,1.0,0.1395894729627853,0.23685833733123157,0.22603831128778012,0.2363186210677815,0.2097011856623946
EOS-3-13648,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cn2)n(C)n1,MXMDYDLNIPCIJE-UHFFFAOYSA-N,3,1,0.305,99,968,450.47,2.148,6,0.396,0.67,1.0,0.11224384894798163,0.07747070111712699,0.04113837296963882,0.03531286409430471,0.06654144678226304
EOS-3-13649,Fc1cncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)nn2)c1,OTPHBVYUSLSFJV-UHFFFAOYSA-N,3,1,0.325,8,63,455.442,2.758,6,0.39,0.69,1.0,0.15103488451785346,0.247344253306833,0.13431224727571792,0.2334230004797478,0.19152859639503805
EOS-3-13650,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1,ZYQSVXWCXCXKIW-UHFFFAOYSA-N,3,1,0.302,10,748,454.404,3.169,6,0.399,0.67,0.72,0.022916523884586388,0.14771948461380302,0.3541566719210472,0.520603454184086,0.2613490336508807
EOS-3-13651,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5cccnc5)n4)n23)cc1F,GIWUWAOYXXPZOW-UHFFFAOYSA-N,3,1,0.253,39,527,454.404,3.169,6,0.399,0.67,0.741,0.032091700363237614,0.1033085463641971,0.37289253649509974,0.47303988760194643,0.24533316770612024
EOS-3-13652,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ccc2Cl)cc1=O,AYZFBEYCXGXMHE-UHFFFAOYSA-N,3,1,0.602,4,605,450.911,3.846,5,0.404,0.76,1.0,0.47139503803714616,0.6548814337605373,0.5565845384140908,0.5856521143170448,0.5671282811322047
EOS-3-13653,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)nn5)nn4)n23)cn1,OOZWLBHWBNOAEL-UHFFFAOYSA-N,3,1,0.372,85,60,443.406,0.918,5,0.415,0.62,0.367,0.16453635802892194,0.19276437529984236,0.023884586388869852,0.016157220204235486,0.09933563498046742
EOS-3-13654,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4F)n23)cn1,WPYAMIHQKPDBFU-UHFFFAOYSA-N,3,1,0.435,0,829,487.495,2.357,6,0.46,0.9,0.999,0.2255157288739634,0.08452984716606127,0.005894044273867452,0.02739702556370365,0.08583416146939896
EOS-3-13655,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,MSYVQONJJZAHKY-UHFFFAOYSA-N,3,1,0.538,65,981,432.875,3.257,5,0.406,0.7,1.0,0.754977383318484,0.6987697895963265,0.32067712973750945,0.3365430744979782,0.5277418442875745
EOS-3-13656,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)nc1,WHPRPBKLKAFVRP-UHFFFAOYSA-N,3,1,0.444,2,131,428.431,3.373,5,0.42,0.72,1.0,0.6704561030772394,0.5632496059214585,0.42767802069769034,0.32687101637996024,0.49706368651908706
EOS-3-13657,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1,TUMQRXYEOURUHN-UHFFFAOYSA-N,3,1,0.346,9,642,450.441,3.245,6,0.402,0.66,1.0,0.2310242615310808,0.26246487560825166,0.4812298677266808,0.48782639983551507,0.36563635117538207
EOS-3-13658,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)o1,ZLPYIVPBNGQBAU-UHFFFAOYSA-N,3,1,0.54,16,10,437.822,3.916,5,0.407,0.75,1.0,0.7576673977109177,0.8453584401343294,0.5984253992186964,0.621933040915633,0.7058460694948941
EOS-3-13659,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,XWMKYBKXNGOBJG-UHFFFAOYSA-N,3,1,0.561,46,692,435.369,3.64,5,0.416,0.69,1.0,0.8139435268316085,0.7361301487218148,0.8718131039681996,0.8562041669522308,0.8195227366184634
EOS-3-13660,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(Cc3ccc(C(F)F)nn3)n12,ZIHFAFMIVOJEOZ-UHFFFAOYSA-N,3,1,0.344,85,476,434.385,3.706,5,0.416,0.66,1.0,0.44091391953944215,0.5588633404153245,0.7139075457473785,0.6858423000479748,0.5998817764375299
EOS-3-13661,FC(F)(F)c1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cn1,IUOIUVLIRAXIHB-UHFFFAOYSA-N,3,1,0.57,68,900,441.2,4.486,4,0.465,0.7,1.0,0.9463796175724762,0.9666232609142622,0.9691076691110959,0.9533016928243437,0.9588530601055446
EOS-3-13662,COc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)ncn1,YDKYIJVEKXKEDI-UHFFFAOYSA-N,3,1,0.448,55,879,455.438,1.725,5,0.383,0.69,1.0,0.45271914193681034,0.14036049619628538,0.16509320814200534,0.06624802960729216,0.2061052189705983
EOS-3-13663,Clc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)ccn1,FNRHZWSBHXGSNM-UHFFFAOYSA-N,3,1,0.424,18,840,430.859,3.313,5,0.378,0.72,1.0,0.5189500376944692,0.5588719073401411,0.3768161880611336,0.42256356658213967,0.4693004249194709
EOS-3-13664,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncc(Cl)cn4)n23)cc1F,CBMGNRMBPVFXRD-UHFFFAOYSA-N,3,1,0.312,73,575,422.786,3.637,5,0.438,0.71,0.956,0.36645020903296555,0.48496504694674797,0.687821259680625,0.8010845726817901,0.5850802720855321
EOS-3-13665,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccncc4-c4ccc(Cl)nc4)n23)cc1,FVLBFKBUAQJFSZ-UHFFFAOYSA-N,3,1,0.378,62,139,441.882,3.928,5,0.424,0.68,1.0,0.2820659995887876,0.22175484887944624,0.6522513878418204,0.6069580563360976,0.44075757316153796
EOS-3-13666,Cc1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)n(C)n1,GQBNKWAEPGYONJ-UHFFFAOYSA-N,3,1,0.495,89,268,440.467,2.573,5,0.43,0.65,1.0,0.3756253855116167,0.12616510177506682,0.18114762524844083,0.08620896443012815,0.19228676924131313
EOS-3-13667,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(F)cnn6)nn5)n34)cc2)cc1,HHNQMKRJYYBHFS-UHFFFAOYSA-N,3,1,0.372,3,550,453.416,3.774,6,0.401,0.72,1.0,0.03092659858817079,0.2985316290864231,0.6435902268521692,0.7507367555342335,0.4309463025152491
EOS-3-13669,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)cn1,JRLFWQXOASXHGR-UHFFFAOYSA-N,3,1,0.302,10,37,439.418,2.369,6,0.411,0.65,0.959,0.022925090809403057,0.15943047083818793,0.16510177506682203,0.227537523130697,0.1437487149612775
EOS-3-13670,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5cccc(F)c5)cn4)n23)cn1,JQVVGWQKMGKMAI-UHFFFAOYSA-N,3,1,0.561,4,92,430.418,4.414,5,0.411,0.82,1.0,0.7400109656637653,0.8164793365773422,0.8587742443972312,0.8362003975053115,0.8128662360359126
EOS-3-13671,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,ZVECERMYUNYMEQ-UHFFFAOYSA-N,3,1,0.402,31,602,433.863,2.652,5,0.402,0.69,1.0,0.3687204441093825,0.342814063463779,0.20511788088547736,0.21872215749434584,0.2838436364882462
EOS-3-13672,Cc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nn2)c1,HBMDDZAGDPDQBO-UHFFFAOYSA-N,3,1,0.317,76,37,432.451,3.199,6,0.417,0.69,1.0,0.0037608799945171682,0.01314166266876842,0.1780892330888904,0.19811870331025974,0.09827761976560893
EOS-3-13673,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)nn1,BMBRQKPXHRAPCH-UHFFFAOYSA-N,3,1,0.543,58,981,444.886,3.622,5,0.391,0.73,1.0,0.8008275649372901,0.8579603865396477,0.36149852648893155,0.3751627715715167,0.5988623123843466
EOS-3-13674,OCc1ncn2cnc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)nc12,VOUGJCCGCPCISA-UHFFFAOYSA-N,3,1,0.313,8,635,440.402,1.984,6,0.437,0.64,1.0,0.32902988143376055,0.34282263038859573,0.13135665821396753,0.1846086628743746,0.2469544582276746
EOS-3-13675,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)c1,HITKTXVDQFMPDN-UHFFFAOYSA-N,3,1,0.387,3,220,448.465,4.455,6,0.396,0.79,1.0,0.14247652662600233,0.28830272085532177,0.6284182030018505,0.6770355013364403,0.4340582379549037
EOS-3-13676,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5F)n4)n23)cc1,MNQQTSPOEHPUAG-UHFFFAOYSA-N,3,1,0.325,8,973,456.42,3.113,6,0.401,0.67,1.0,0.0764341032143102,0.2115944760468782,0.35031012267836337,0.4415307381262422,0.2699673600164485
EOS-3-13677,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)cn1,SSAVVVMGEPMKNP-UHFFFAOYSA-N,3,1,0.324,70,968,434.467,3.049,6,0.42,0.67,1.0,0.09723459666917963,0.07747926804194366,0.247549859502433,0.2010314577479268,0.1558237954903708
EOS-3-13678,N#Cc1ccc(-c2nnc3cncc(-c4ncccc4OCc4cccc(F)c4)n23)c(F)c1,YMCCCOJCNVJPRO-UHFFFAOYSA-N,3,1,0.392,57,586,440.413,4.582,5,0.397,0.84,0.999,0.6855424576793914,0.804905421150024,0.9368446302515249,0.9359194023713248,0.8408029778630662
EOS-3-13679,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)cc1,CNULLHWSLBMROR-UHFFFAOYSA-N,3,1,0.299,9,553,430.475,4.316,6,0.414,0.77,1.0,0.13431224727571792,0.021194571996436158,0.4460626413542595,0.48191522171201423,0.27087117058460697
EOS-3-13680,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cncc(F)c5)cc4)n23)nc1)N1CCOCC1,KSVBROLQJHPVKU-UHFFFAOYSA-N,3,1,0.419,52,229,481.491,3.527,6,0.387,0.89,1.0,0.11806079089849908,0.02819374957165376,0.07293879788910973,0.21004386265506134,0.10730930025358099
EOS-3-13681,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ccco5)nn4)n23)ccc1Cl,BFUZLCGSYWCGJP-UHFFFAOYSA-N,3,1,0.536,73,391,423.795,3.608,5,0.422,0.76,1.0,0.8509269412651634,0.9007521759989034,0.5226766499897197,0.6036940579809471,0.7195124563086834
EOS-3-13682,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)nn1,YUPDVCNPMFVSLL-UHFFFAOYSA-N,3,1,0.433,18,88,435.9,3.98,5,0.398,0.74,1.0,0.6000959495579467,0.5494739908162566,0.3688746487560825,0.4161640737440888,0.48365216571859365
EOS-3-13684,Cc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,YJQSCBZJIWBAPV-UHFFFAOYSA-N,3,1,0.46,4,208,430.859,3.579,5,0.416,0.72,1.0,0.4914245082585155,0.5588804742649579,0.33169419505174425,0.3428483311630457,0.43121187718456583
EOS-3-13685,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnc1C(F)(F)F,OLGTUSHAGJCAQT-UHFFFAOYSA-N,3,1,0.69,90,255,423.757,4.577,4,0.45,0.8,1.0,0.9888972654375985,0.9849993146460146,0.9917500514015489,0.9836371736001644,0.9873209512713316
EOS-3-13686,Fc1ncccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nn1,LCRRVGJRHKFBCW-UHFFFAOYSA-N,3,1,0.312,38,620,436.414,3.03,6,0.388,0.69,1.0,0.012918922623535056,0.12953190322801728,0.3206856966623261,0.35250325543143035,0.2039099444863272
EOS-3-13687,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnn(C)c6)c5)n34)cc2)cc1F,OOLPFPXCOVRZFB-UHFFFAOYSA-N,3,1,0.318,3,150,450.481,4.492,6,0.395,0.77,1.0,0.00919231032828456,0.20216229182372694,0.7843790692892879,0.7507453224590501,0.4366197484750874
EOS-3-13688,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnn5)cc4F)n23)nc1,PBTXMURXYRZYCX-UHFFFAOYSA-N,3,1,0.272,99,286,452.417,2.035,6,0.39,0.66,0.965,0.16182064286203823,0.21160304297169488,0.137533411006785,0.17358303063532315,0.17113503186896034
EOS-3-13689,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4F)n23)cc1F,OXEPFUTVYYAZGW-UHFFFAOYSA-N,3,1,0.553,59,469,434.381,4.245,5,0.412,0.77,1.0,0.8035347131793571,0.8806456034541841,0.9122318552532382,0.9059865670618875,0.8755996847371668
EOS-3-13690,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n2)n1,OTUHQVNITDXNPM-UHFFFAOYSA-N,3,1,0.307,39,972,452.417,2.035,6,0.39,0.66,0.956,0.10483345898156397,0.15165170310465356,0.04590158316770612,0.09993317798642999,0.1005799808100884
EOS-3-13691,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)cnn4)n23)cn1,INDBLGASVWPQKN-UHFFFAOYSA-N,3,1,0.462,92,85,444.39,1.25,5,0.404,0.66,1.0,0.4914330751833322,0.3136522513878418,0.08909601809334522,0.0647488177643753,0.2397325406072236
EOS-3-13692,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ncc(F)cn5)cn4)n23)cn1,WIGGLZFHSDNABY-UHFFFAOYSA-N,3,1,0.442,51,48,444.39,1.25,5,0.404,0.66,1.0,0.5859005551367281,0.36194400657939824,0.06449181001987526,0.042372010143238985,0.26367709546981016
EOS-3-13693,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5cnccn5)no4)n23)cc1,JRFUHMCWFXICRX-UHFFFAOYSA-N,3,1,0.427,89,408,454.41,1.464,5,0.353,0.75,1.0,0.40229422246590363,0.2778082379549037,0.07070283051195943,0.04106983757110547,0.19796878212596808
EOS-3-13694,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)nn1,ISQPNVGPSNEBCK-UHFFFAOYSA-N,3,1,0.317,39,972,451.429,2.64,6,0.398,0.68,0.308,0.17522788020012336,0.23188095401274758,0.10889418134466453,0.1928586114728257,0.1772154067575903
EOS-3-13695,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)nc1,SBMVKYUPMSEAEN-UHFFFAOYSA-N,3,1,0.511,11,275,430.418,4.148,5,0.403,0.76,1.0,0.8139520937564252,0.7962528270851895,0.7323521348776643,0.7507538893838668,0.7733277362757864
EOS-3-13696,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)nc2)o1,MOUWUTFFOUBANU-UHFFFAOYSA-N,3,1,0.302,98,543,452.413,3.203,6,0.392,0.69,0.996,0.23103282845589748,0.33273079295456104,0.16511034199163868,0.23632718799259816,0.24130028784867386
EOS-3-13697,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnn(C)c5)cn4)n23)cc1,OPXOTUJJMPLUNY-UHFFFAOYSA-N,3,1,0.372,74,333,411.429,2.008,5,0.481,0.85,1.0,0.08509526420396135,0.05132444657665684,0.19806730176135975,0.10838873278048111,0.11071893633061478
EOS-3-13698,CNC(=O)c1ccc(-c2nnc3cncc(Oc4nnc(-c5ccc(C)nn5)cc4Cl)n23)cc1,HWCCKHUHUWJIFH-UHFFFAOYSA-N,3,1,0.423,72,310,473.884,3.152,5,0.408,0.75,1.0,0.6456891234322527,0.47644095675416354,0.19463196490987594,0.1376447810294017,0.3636017065314235
EOS-3-13699,Cc1ccnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nc2C)n1,BMSOJIPWKGIRLF-UHFFFAOYSA-N,3,1,0.394,13,110,431.406,4.331,5,0.418,0.77,1.0,0.6732489205674731,0.6594219039133713,0.582525186758961,0.5472551572887396,0.6156127921321363
EOS-3-13700,Fc1ccc(-c2cccnc2)cc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,BZFCNQUUNPTBKR-UHFFFAOYSA-N,3,1,0.5,4,799,433.834,4.015,5,0.413,0.75,1.0,0.7157151668836954,0.7497429922555,0.7219861558494962,0.7712374066205195,0.7396704304023028
EOS-3-13701,COc1nc(C(=O)NCCF)ccc1-c1nnc2cncc(-c3cn(-c4ncccn4)nn3)n12,IBQYRPLBVRORBW-UHFFFAOYSA-N,3,1,0.291,50,974,461.421,0.932,5,0.371,0.72,1.0,0.06862106778150914,0.04770920430402303,0.008815365636351175,0.002741415941333699,0.031971763415804266
EOS-3-13702,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cn4)n23)ccc1F,GYQJGIPNUACGKF-UHFFFAOYSA-N,3,1,0.429,46,775,432.394,3.204,5,0.417,0.71,1.0,0.6340209718319512,0.6019035706942636,0.44607120827907615,0.3970169967788363,0.5197531868960318
EOS-3-13703,Cc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)nc1,AKXODEMIYPWSPU-UHFFFAOYSA-N,3,1,0.33,25,791,445.49,4.019,6,0.404,0.75,1.0,0.0829535329997944,0.10667534781714756,0.35031868960318,0.3815708313343842,0.23037960043862654
EOS-3-13704,Fc1cc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)ccc1Cl,IFVZYKFAKSZVJH-UHFFFAOYSA-N,3,1,0.5,73,756,434.822,3.41,5,0.414,0.67,1.0,0.9114179973956549,0.9532759920498938,0.6198255774107326,0.6510091837434034,0.7838821876499211
EOS-3-13706,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)nn2)cc1,YGRBGIKVNONLEK-UHFFFAOYSA-N,3,1,0.273,76,541,419.412,2.49,6,0.457,0.72,0.535,0.06129634706325817,0.09382496059214585,0.08653450757316154,0.14217668425741894,0.09595812487149613
EOS-3-13707,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)nc2)n1C,SNLMJKXFOUHQSM-UHFFFAOYSA-N,3,1,0.309,39,972,464.468,3.553,6,0.389,0.72,0.999,0.16989068603933932,0.26765643204715234,0.1463402097183195,0.21321362483722842,0.19927523816050988
EOS-3-13708,N#Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(F)cn5)n4)n23)cc1F,VRRUWVBKAYNHIW-UHFFFAOYSA-N,3,1,0.5,24,268,442.389,3.372,5,0.407,0.69,1.0,0.7978805428003564,0.8242409704612432,0.7864693989445548,0.7507624563086834,0.7898383421287094
EOS-3-13709,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)cc1,LWQRSEGEUPVLLE-UHFFFAOYSA-N,3,1,0.329,38,818,430.475,4.316,6,0.414,0.75,1.0,0.11527654033308203,0.05133301350147351,0.5596172297991913,0.5307466931670207,0.3142433692001919
EOS-3-13710,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)cc2)nn1,YSFCGXIJMMCYOC-UHFFFAOYSA-N,3,1,0.32,38,818,431.463,3.711,6,0.419,0.73,1.0,0.03463607703378795,0.030960866287437463,0.4533702282228771,0.44461483106024263,0.24089550065108628
EOS-3-13711,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ccc(-c4ncon4)cc3)n12,GFJSCRZUNBUNNA-UHFFFAOYSA-N,3,1,0.373,9,867,448.446,3.974,6,0.386,0.75,1.0,0.35249468850661364,0.10668391474196423,0.42424268384620656,0.339695702830512,0.3057792474813241
EOS-3-13712,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,UKTOIRIJVJOLNI-UHFFFAOYSA-N,3,1,0.554,46,181,431.406,3.809,5,0.418,0.71,1.0,0.7492032759920499,0.6116184634363648,0.772873689260503,0.7190991021862793,0.7131986327187992
EOS-3-13713,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4nccc(C)n4)n23)ccc1F,NUIXQINBPOEPEO-UHFFFAOYSA-N,3,1,0.432,26,911,430.447,3.491,5,0.407,0.73,1.0,0.5396220272770886,0.5081128778013844,0.3541652388458639,0.28072099239257076,0.4206552840792269
EOS-3-13714,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4cccs4)cn3)n12,KSXLNOLGOBSUHZ-UHFFFAOYSA-N,3,1,0.311,30,979,436.504,4.377,6,0.408,0.82,0.997,0.03210026728805428,0.09689191967651292,0.13432081420053457,0.20104002467274348,0.11608825645946133
EOS-3-13715,Clc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,UNRHSDIKSZZREK-UHFFFAOYSA-N,3,1,0.571,75,496,429.871,3.918,5,0.404,0.73,1.0,0.7893650195325885,0.8202402165718594,0.6137173600164485,0.6367024192995683,0.7150062538551161
EOS-3-13716,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ncc(F)cn1,ARXARBKMRQZEDD-UHFFFAOYSA-N,3,1,0.566,35,467,443.442,3.413,5,0.377,0.71,1.0,0.9169950654513056,0.7408419573709821,0.5161829209786855,0.39412137619080256,0.642035329997944
EOS-3-13717,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)nc1,WOKJMMDPHJTWCH-UHFFFAOYSA-N,3,1,0.506,4,205,427.428,1.66,5,0.432,0.66,1.0,0.3290384483585772,0.15567815776848742,0.1257196216846001,0.061536220958124874,0.1679931121924474
EOS-3-13718,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)c1,DTRHLFMYZHLVGY-UHFFFAOYSA-N,3,1,0.262,98,880,433.439,2.501,6,0.412,0.68,0.958,0.0390137756151052,0.00793297238023439,0.07938969227606059,0.12881228154341717,0.06378718045370434
EOS-3-13719,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)nc1,BUHWYKCIDGEDHN-UHFFFAOYSA-N,3,1,0.679,84,73,427.443,3.712,5,0.408,0.75,1.0,0.7639126859022686,0.7408505242957988,0.5161914879035021,0.48500788157083136,0.6264906449181002
EOS-3-13721,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnc(C)o5)n4)n23)nc1,XSCXZEDNDHGRMG-UHFFFAOYSA-N,3,1,0.376,33,53,461.417,2.017,5,0.398,0.68,0.965,0.41322561853197176,0.25229593585086696,0.06644506887807552,0.03425913234185457,0.19155643890069224
EOS-3-13722,Cc1ccc(F)c(-c2ccnc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)c1Cl,GHEXSORURBPGLX-UHFFFAOYSA-N,3,1,0.33,82,155,460.86,3.51,5,0.435,0.65,0.996,0.21731718182441231,0.30847782879857444,0.4313360975944075,0.4697587553971626,0.3567224659036392
EOS-3-13723,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)O)cc5F)n34)cc2)n1,JORGRTDCDPHYJP-UHFFFAOYSA-N,3,1,0.489,13,374,444.426,4.13,5,0.434,0.75,1.0,0.5889246795970119,0.32354704955109315,0.5792954561030772,0.4192995682269892,0.47776668836954284
EOS-3-13724,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)no1,FELAAGCABGNQIU-UHFFFAOYSA-N,3,1,0.476,51,196,438.81,3.311,5,0.407,0.74,1.0,0.7810636693852375,0.7315040093208142,0.29142108148858886,0.330023644712494,0.5335031012267837
EOS-3-13725,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cc1F,UZRPCZUIYMIUDH-UHFFFAOYSA-N,3,1,0.541,11,503,430.418,4.148,5,0.403,0.78,1.0,0.8114676855595915,0.7267579329723802,0.8415547255157289,0.8403210883421287,0.8050253580974572
EOS-3-13726,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cc1,SPEQTAACDVMEPU-UHFFFAOYSA-N,3,1,0.433,72,208,434.822,3.41,5,0.414,0.66,1.0,0.6001045164827633,0.6838376396408745,0.5497309985607566,0.6510177506682201,0.6211727263381536
EOS-3-13727,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)ncc1Cl,CIOUVAJQLGFBRG-UHFFFAOYSA-N,3,1,0.444,54,469,434.822,3.41,5,0.414,0.68,1.0,0.5974916044136797,0.6691967651291892,0.6108046055787815,0.6335155232677678,0.6277521245973545
EOS-3-13728,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)nc4)n23)cc1,BPNNTZYWKBKLLQ-UHFFFAOYSA-N,3,1,0.367,52,916,467.468,2.818,6,0.378,0.71,0.988,0.18118189294770748,0.11583339044616545,0.18769275580837502,0.23343156740456444,0.1795349016517031
EOS-3-13729,COc1ccc(F)cc1-c1cncc2nnc(-c3cc(F)c(-c4ccnnc4)c(F)c3)n12,COPNCLCLUPJJJG-UHFFFAOYSA-N,3,1,0.362,45,46,434.381,4.341,5,0.419,0.74,1.0,0.5371547529298882,0.630131587965184,0.9498235213487767,0.9393547392228085,0.7641161503666644
EOS-3-13730,Cc1cccc(-c2cncnc2-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)c1,RHFSSAJQPKAYRN-UHFFFAOYSA-N,3,1,0.293,85,81,447.424,4.561,5,0.402,0.8,1.0,0.37338941813446647,0.3428311973134124,0.9403913371256254,0.897462476869303,0.6385186073607019
EOS-3-13731,Fc1cnc(-n2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)nc1,IVNPEBBEXBSKKS-UHFFFAOYSA-N,3,1,0.556,73,32,423.799,2.534,5,0.424,0.73,1.0,0.34116064697416215,0.5880337194160784,0.2260468782125968,0.3554931121924474,0.37768358919882117
EOS-3-13732,Cc1ccnc(COc2cncc3nnc(-c4cc(F)cnc4-c4ncc(F)cn4)n23)n1,VLOQDTHOLFUQDR-UHFFFAOYSA-N,3,1,0.419,51,775,433.382,2.599,5,0.412,0.68,0.998,0.6611866904256049,0.6067010485915976,0.1780978000137071,0.1928671783976424,0.40971317935713797
EOS-3-13733,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)n1,IZLZEYSUUAWARC-UHFFFAOYSA-N,3,1,0.449,51,48,431.847,2.974,5,0.413,0.66,1.0,0.5717736961140429,0.5353385648687548,0.1877013227331917,0.1953344527448427,0.372537009115208
EOS-3-13734,Cn1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)nc4OC(F)F)n23)cn1,FAYSXQMLESRBOD-UHFFFAOYSA-N,3,1,0.326,50,243,438.373,3.389,5,0.388,0.75,0.999,0.32904701528339386,0.49434582962099927,0.7586782948392845,0.6944177917894593,0.5691222328832842
EOS-3-13735,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)nc1,ZRNCDEWHEIMKHE-UHFFFAOYSA-N,3,1,0.333,30,668,433.45,4.845,6,0.398,0.84,0.997,0.003769446919333836,0.14036906312110206,0.7612312384346515,0.8119388664245083,0.42932715372489894
EOS-3-13736,CCn1nc(C)cc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,HVOUOLDRNQUQRH-UHFFFAOYSA-N,3,1,0.28,9,150,447.506,4.231,6,0.393,0.75,1.0,0.004180659310533891,0.023439106298403126,0.1980758686861764,0.21005242957987802,0.10893701596874786
EOS-3-13737,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1,BQISTKUMBQFJEV-UHFFFAOYSA-N,3,1,0.582,43,178,419.395,3.444,5,0.434,0.76,1.0,0.797889109725173,0.6067096155164142,0.7565279967103009,0.7243077924748133,0.7213586286066753
EOS-3-13738,Cc1ccc(-c2nnc3cncc(Cn4ccnc4CCc4cccc(Cl)c4)n23)cn1,IKMWQJZIWZHONE-UHFFFAOYSA-N,3,1,0.412,14,81,429.915,4.178,5,0.405,0.83,1.0,0.172529298882873,0.2936998834898225,0.36888321568089916,0.44796449866355975,0.3207692241792886
EOS-3-13739,COc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,ZPMXTIWEKGSBAP-UHFFFAOYSA-N,3,1,0.544,35,982,442.454,4.018,5,0.376,0.76,1.0,0.8114762524844082,0.659430470838188,0.6906226440956754,0.5919488040572956,0.6883695428688918
EOS-3-13740,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)n5)n34)cn2)n1,RPWZSLLKBIQHBQ-UHFFFAOYSA-N,3,1,0.282,76,259,437.427,2.402,6,0.404,0.66,1.0,0.1152851072578987,0.07041155506819272,0.029418819820437255,0.026368994585703517,0.06037111918305805
EOS-3-13741,Cn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)n1,HZKNQMQIUIJPOW-UHFFFAOYSA-N,3,1,0.554,73,212,454.281,3.263,5,0.398,0.71,1.0,0.6173326022890823,0.7754266328558701,0.41280583921595504,0.49091905969433214,0.5741210335138098
EOS-3-13742,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nncs5)n4)n23)cc1,ZMDUWFFIEUTGOW-UHFFFAOYSA-N,3,1,0.343,98,865,438.48,3.167,6,0.412,0.66,1.0,0.0647488177643753,0.0810088410664108,0.09837399766979645,0.11554211500239873,0.08991844287574532
EOS-3-13744,Cc1cnc(-c2cc(-c3nnc4cncc(COc5ccc(Cl)cn5)n34)ccn2)cn1,MQDNXNMXVWQVHH-UHFFFAOYSA-N,3,1,0.38,7,99,430.859,3.579,5,0.416,0.69,1.0,0.44554005894044274,0.4849736138715647,0.3842265780275512,0.35550167911726405,0.41756048248920563
EOS-3-13745,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cn1,RWWDLHPLZHYBAE-UHFFFAOYSA-N,3,1,0.314,86,790,432.451,3.106,6,0.418,0.69,1.0,0.09247138647111233,0.07042012199300939,0.27690014392433693,0.2480039065177164,0.17194888972654376
EOS-3-13746,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)nc5)cnn4)n23)cn1,QTKQBIZERCFQSE-UHFFFAOYSA-N,3,1,0.423,92,986,454.454,1.68,5,0.402,0.68,1.0,0.37094784456171614,0.19277294222465904,0.08654307449797821,0.03108937015968748,0.17033830786101023
EOS-3-13747,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)nc1,RSUCHJZLLBEFBL-UHFFFAOYSA-N,3,1,0.25,70,165,432.451,3.106,6,0.418,0.69,1.0,0.03093516551298746,0.02577787677335344,0.3353437050236447,0.3052737989171407,0.17433263655678155
EOS-3-13748,Cc1nn(C)cc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1,XVUZEKXFPOQWFB-UHFFFAOYSA-N,3,1,0.523,73,399,450.865,3.662,5,0.403,0.72,1.0,0.5163713933246522,0.7315125762456308,0.5261119868412035,0.5270115139469536,0.5752518675896101
EOS-3-13749,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)n1,XFSUSCWINQFHCN-UHFFFAOYSA-N,3,1,0.305,99,286,436.443,1.839,6,0.406,0.66,1.0,0.10232335001028031,0.040487286683572064,0.03830272085532178,0.03324823521348776,0.05359039819066548
EOS-3-13750,Cn1nnc(-c2cnc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)c2)n1,JQKHMAHOWDPPON-UHFFFAOYSA-N,3,1,0.299,74,413,474.435,2.214,6,0.384,0.74,1.0,0.23372284284833117,0.24222123226646564,0.12572818860941676,0.2070454389692276,0.20217942567336028
EOS-3-13752,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)nn1,PTVNZEYZQAZVPN-UHFFFAOYSA-N,3,1,0.303,10,195,451.881,4.149,6,0.397,0.75,0.327,0.01978102940168597,0.1477280515386197,0.4637105064765952,0.5472637242135563,0.2946208279076143
EOS-3-13753,c1cncc(-c2ncncc2-c2nnc3cncc(OCc4ccc(-n5cncn5)nc4)n23)c1,HJQCYNZSNZDJHL-UHFFFAOYSA-N,3,1,0.438,80,843,449.438,2.198,6,0.372,0.73,1.0,0.2606572544719348,0.1261736686998835,0.17503084092934001,0.14954423959975327,0.1778515009252279
EOS-3-13754,c1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnccn6)ncn5)n34)nc2)cc1,DJLKJFABQYJADB-UHFFFAOYSA-N,3,1,0.306,32,327,429.447,3.767,6,0.417,0.74,0.999,0.08753683777671167,0.059128915084641215,0.36889178260571587,0.41301144541155504,0.23214224521965593
EOS-3-13755,Cc1cccnc1-c1cnc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)s1,FORLUROZTFFEQJ-UHFFFAOYSA-N,3,1,0.473,4,205,444.48,2.691,5,0.422,0.7,1.0,0.3212939483243095,0.29370845041463917,0.049216983071756565,0.02740559248852032,0.1729062435748064
EOS-3-13756,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)cn1,AOFKCQNSLZPCCB-UHFFFAOYSA-N,3,1,0.549,75,525,429.871,3.918,5,0.378,0.78,1.0,0.8597251730518813,0.8548934274552806,0.591965937906929,0.6037026249057639,0.7275717908299637
EOS-3-13757,NC(=O)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)s4)n23)cc1F,TYQQCADYPXSDLS-UHFFFAOYSA-N,3,1,0.365,96,139,417.429,3.215,5,0.481,0.7,0.997,0.11806935782331575,0.18412891508464121,0.28790864231375507,0.30822082105407445,0.2245819340689466
EOS-3-13758,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ccccc4F)nc3)n12,GVTQHTYBXKNGOV-UHFFFAOYSA-N,3,1,0.565,84,73,429.459,3.656,5,0.41,0.78,1.0,0.45035467068741003,0.517048180385169,0.39893598793776985,0.39702556370365294,0.44084110067850046
EOS-3-13759,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)n1,PWNOPYCQXTXEOU-UHFFFAOYSA-N,3,1,0.315,42,608,433.435,3.669,6,0.41,0.7,1.0,0.18979165238845863,0.15568672469330408,0.20512644781029402,0.19287574532245905,0.18587014255362894
EOS-3-13760,N#Cc1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(F)c5)no4)n23)c(F)c1,ONKKWQWHVGBNQL-UHFFFAOYSA-N,3,1,0.427,45,102,419.326,3.797,5,0.438,0.79,1.0,0.4337091357686245,0.6642279487355219,0.9032108834212871,0.9286546501267905,0.732450654513056
EOS-3-13761,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nn(C)cc5C)c4)n23)cc1,QRGNQSXYNSTCMX-UHFFFAOYSA-N,3,1,0.506,89,637,467.533,3.829,5,0.391,0.78,1.0,0.31889520937564253,0.12618223562470016,0.32069426358714276,0.16543588513467206,0.2328018984305394
EOS-3-13762,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5nc(-c6cccc(F)c6)no5)cn4)n23)cn1,CKRYCLDGXKMLFW-UHFFFAOYSA-N,3,1,0.361,70,72,451.425,3.808,6,0.394,0.72,1.0,0.26337296963881845,0.36195257350421495,0.28419916386813787,0.3145089438695086,0.30600841272016993
EOS-3-13763,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(COc5ccc(Cl)c(F)c5)n34)c2)cn1,HMRHQFGEZJSJSI-UHFFFAOYSA-N,3,1,0.375,14,189,457.856,4.491,5,0.383,0.82,1.0,0.6143941470769653,0.6740285107257898,0.9074772119799877,0.9081539990405044,0.7760134672058118
EOS-3-13764,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cn2)c1,BHDNIGWSKLRRLN-UHFFFAOYSA-N,3,1,0.31,10,673,425.387,3.228,6,0.423,0.73,0.989,0.06862963470632581,0.17575902953875677,0.4128144061407717,0.4635648687547118,0.2801919847851415
EOS-3-13765,Cc1ncc(C)c(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,HKMSNFAKHPCHLM-UHFFFAOYSA-N,3,1,0.489,89,731,452.478,2.938,5,0.416,0.65,0.997,0.41777465560962235,0.1261908025495168,0.22969638818449728,0.10839729970529778,0.22051478651223355
EOS-3-13766,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)c(F)c5)n34)nn2)cc1,ZRDKLJPEDDGEPV-UHFFFAOYSA-N,3,1,0.337,3,783,452.428,4.379,6,0.395,0.77,1.0,0.033453841409087796,0.20217085874854362,0.7728822561853197,0.8281389212528271,0.45916146939894453
EOS-3-13767,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)n1,ZDKIVHVAFFNYMH-UHFFFAOYSA-N,3,1,0.303,38,193,437.492,3.772,6,0.414,0.72,1.0,0.0972431635939963,0.10331711328901377,0.14343602220546914,0.19288431224727573,0.13422015283393873
EOS-3-13768,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cncc(CO)n5)c4)n23)cn1,NPENHAVGPWCBSS-UHFFFAOYSA-N,3,1,0.302,82,514,439.439,1.557,5,0.417,0.66,1.0,0.2420156260708656,0.12954047015283393,0.12306387499143308,0.07372695497224316,0.14208673154684395
EOS-3-13769,FC(F)c1cncc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)n1,NHIZXOLMPPKTOB-UHFFFAOYSA-N,3,1,0.524,27,343,431.406,4.16,5,0.399,0.75,1.0,0.694400657939826,0.6789459255705572,0.7969981495442396,0.7296621204852306,0.7250017133849633
EOS-3-13770,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)n(C)n1,HCNHDMQATWAPRD-UHFFFAOYSA-N,3,1,0.314,76,191,446.478,3.414,6,0.405,0.69,1.0,0.07069426358714276,0.047717771228839696,0.11137002261668151,0.11316050990336508,0.08573564183400725
EOS-3-13771,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cn(C)nn5)cn4)n23)c1,YYRJKPDIKUACGT-UHFFFAOYSA-N,3,1,0.25,39,972,446.478,3.414,6,0.405,0.69,0.901,0.03902234253992187,0.01114556918648482,0.17155266945377287,0.18717874031937495,0.10222483037488864
EOS-3-13772,Cc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5ncc(Cl)cn5)c4)n23)cn1,DIFNJXVPBDNNSY-UHFFFAOYSA-N,3,1,0.488,73,82,448.849,3.718,5,0.4,0.72,1.0,0.8369200191899115,0.8549019943800973,0.49820094578849977,0.5003769446919334,0.6725999760126105
EOS-3-13773,Cn1nnc(-c2nc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ccc2F)n1,MLDFXFSKIUIWBM-UHFFFAOYSA-N,3,1,0.376,66,784,437.389,3.044,5,0.417,0.67,1.0,0.3238468919196765,0.45870742238366113,0.4812384346514975,0.5307552600918375,0.44863700226166814
EOS-3-13774,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)nc4F)n23)nc1,DZVZEHYKKOWGDV-UHFFFAOYSA-N,3,1,0.333,62,523,469.455,4.086,6,0.39,0.82,1.0,0.18980021931327531,0.2937170173394558,0.4533787951476938,0.5731615379343431,0.377514392433692
EOS-3-13775,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)nn1,MRSNEJSTCDQOBL-UHFFFAOYSA-N,3,1,0.419,53,785,431.847,2.974,5,0.413,0.65,0.998,0.5163799602494689,0.467531354944829,0.30224967445685696,0.33003221163731067,0.40404830032211636
EOS-3-13776,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)n4)n23)nn1,KSEJIUAKSPCWIA-UHFFFAOYSA-N,3,1,0.418,53,670,431.847,2.974,5,0.413,0.65,0.766,0.46888492906586254,0.5263090261119868,0.15557535467068742,0.1819443492563909,0.3331784147762319
EOS-3-13777,Cc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(OCCc3cncn3C)n12,STDBIBIAXOFCSW-UHFFFAOYSA-N,3,1,0.517,15,684,429.459,3.656,5,0.41,0.76,1.0,0.5859091220615448,0.5124391748338016,0.40612363785895417,0.38464635734356795,0.4722795730244671
EOS-3-13778,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5nnn(C)n5)nc4)n23)ccc1Cl,RGKLFGDUGPXPGT-UHFFFAOYSA-N,3,1,0.542,36,728,434.851,2.313,5,0.41,0.68,1.0,0.49636762387773287,0.6210763484339662,0.08910458501816187,0.12470872455623329,0.3328143204715236
EOS-3-13779,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nn2)o1,XXMCINYDXRJSBC-UHFFFAOYSA-N,3,1,0.321,99,14,437.427,2.402,6,0.404,0.67,0.991,0.08754540470152834,0.04405969433212254,0.03423343156740456,0.030121307655404016,0.04898995956411487
EOS-3-13780,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)cn3)n12,JVFHVKPGNRUXOK-UHFFFAOYSA-N,3,1,0.435,18,262,438.81,3.045,5,0.394,0.75,1.0,0.622781166472483,0.5678586114728257,0.3317027619765609,0.3970341306284696,0.47984416763758475
EOS-3-13781,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccc(-c5nc(C)co5)n4)n23)cc1,OGUMPTYKTADOAB-UHFFFAOYSA-N,3,1,0.34,74,139,412.413,2.571,5,0.478,0.82,1.0,0.20346446439586047,0.059137482009457884,0.08911315194297854,0.04107840449592214,0.09819837571105476
EOS-3-13782,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)n1,WUMDTORDKXYMOV-UHFFFAOYSA-N,3,1,0.46,51,196,449.837,3.113,5,0.398,0.69,1.0,0.9129429100130217,0.8579689534644644,0.31710472208895896,0.3332448084435611,0.6053153485025016
EOS-3-13783,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn5ncccc5n4)n23)cc1Cl,UELPISWAANXSMG-UHFFFAOYSA-N,3,1,0.318,98,765,428.847,2.95,6,0.426,0.71,1.0,0.20911006785004455,0.24735282023164964,0.23684977040641492,0.362415187444315,0.26393196148310605
EOS-3-13784,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)cc1F,MIEBGVLFZSIMJF-UHFFFAOYSA-N,3,1,0.684,88,781,448.408,4.287,5,0.386,0.79,1.0,0.9781971763415804,0.9802018367486807,0.9253563840723734,0.9192653005277226,0.9507551744225893
EOS-3-13785,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cn1,BBWWWUBRVZYDSJ-UHFFFAOYSA-N,3,1,0.451,46,128,434.822,3.41,5,0.414,0.65,1.0,0.5662651634569255,0.7624991433075183,0.5565931053389076,0.579561030772394,0.6162296107189363
EOS-3-13786,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NCCF)cc5F)n34)nc2)n(C)n1,NOGDFMLPBRDGBY-UHFFFAOYSA-N,3,1,0.367,74,768,474.475,3.401,5,0.405,0.76,1.0,0.1839747104379412,0.2217634158042629,0.3729011034199164,0.2896734288259886,0.26707816462202727
EOS-3-13787,COc1ccc(-c2nnc(Cl)nn2)cc1-c1cncc2nnc(-c3ccc(C#N)cc3F)n12,GBMHFZRTJKSHOA-UHFFFAOYSA-N,3,1,0.375,61,252,459.832,3.378,5,0.397,0.71,1.0,0.5889332465218285,0.6936125008566925,0.6580083613186211,0.6739599753272565,0.6536285210060997
EOS-3-13788,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)c1,FWPCMHFZJDUIGA-UHFFFAOYSA-N,3,1,0.33,10,118,453.416,3.774,6,0.401,0.69,0.727,0.036058186553354805,0.1927815091494757,0.5395620588033719,0.659353368514838,0.3569387807552601
EOS-3-13789,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ncn2)cn1,IDGRNFQUIHZKBT-UHFFFAOYSA-N,3,1,0.494,44,971,434.822,3.932,5,0.419,0.72,1.0,0.7576759646357344,0.6692053320540059,0.607797614968131,0.6335240901925845,0.667050750462614
EOS-3-13790,Cn1ncnc1-c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1F,GFRKRTVBLCGUPZ-UHFFFAOYSA-N,3,1,0.349,85,66,470.472,1.999,6,0.399,0.69,0.999,0.12326091426221643,0.20217942567336028,0.023893153313686518,0.03983620039750531,0.09729242341169213
EOS-3-13791,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cccnc4-n4cccn4)n23)c1,BPCCXJRYPKLBPR-UHFFFAOYSA-N,3,1,0.308,10,543,436.414,3.03,6,0.414,0.64,1.0,0.006322390514700843,0.08769104242341169,0.21221986155849495,0.3300407785621273,0.1590685182646837
EOS-3-13792,O=C(c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)nc1)N1CC(F)C1,FNFMCTZBUOLCBQ-UHFFFAOYSA-N,3,1,0.317,33,647,467.468,2.423,6,0.387,0.73,0.223,0.16715783702282228,0.13294153930505107,0.07732506339524364,0.12239565485573299,0.12495502364471249
EOS-3-13793,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6F)nc5)n34)cc2)n1,RFZIQQWUVANUIS-UHFFFAOYSA-N,3,1,0.325,25,219,468.431,3.384,6,0.387,0.74,1.0,0.27931601672263723,0.30848639572339115,0.460232335001028,0.5141782605715852,0.3905532520046604
EOS-3-13794,COc1ccc(-c2nnc3cncc(OCc4cc(-c5cncc(F)c5)ncn4)n23)cn1,IBMOCYCSIRLRAD-UHFFFAOYSA-N,3,1,0.452,2,354,430.403,2.765,5,0.401,0.71,1.0,0.5917603317113289,0.6210849153587829,0.44966074977725995,0.3268795833047769,0.4973463950380371
EOS-3-13795,Clc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c1,WZTWKDBJPZWTBU-UHFFFAOYSA-N,3,1,0.495,87,838,430.859,3.313,5,0.404,0.69,1.0,0.6487560825166199,0.7221660612706463,0.4061322047837708,0.46043794119662806,0.5593730724419163
EOS-3-13796,Cn1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c(F)c2)n1,DVOQAORDMBEFFD-UHFFFAOYSA-N,3,1,0.425,13,412,437.385,4.456,5,0.404,0.81,1.0,0.6032742786649304,0.6642365156603386,0.9021228839695703,0.8421544102528956,0.7529470221369337
EOS-3-13797,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cn2)c1,WGFIMSKOLUDSEC-UHFFFAOYSA-N,3,1,0.377,32,20,446.449,4.511,6,0.393,0.78,1.0,0.2660287163319855,0.395166541018436,0.6198341443355493,0.6537934343088205,0.48370570899869786
EOS-3-13798,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ocnc4-c4cccnn4)n23)c1,RKVMTBVIENDWPZ-UHFFFAOYSA-N,3,1,0.318,64,449,437.398,3.499,6,0.408,0.7,1.0,0.23373140977314782,0.2624734425330683,0.22970495510931396,0.33970426975532864,0.26640351929271466
EOS-3-13799,Cn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccc(F)cc3)n12,FTORZAGURVDULN-UHFFFAOYSA-N,3,1,0.325,8,507,451.429,2.64,6,0.398,0.69,0.82,0.16182920978685492,0.26766499897196905,0.08912171886779521,0.18718730724419164,0.1764508087177027
EOS-3-13800,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cn2)cc1,WHOZBUHQEMWMJD-UHFFFAOYSA-N,3,1,0.319,30,945,429.447,3.767,6,0.417,0.72,1.0,0.12891508464121718,0.10332568021383044,0.4242512507710232,0.4604465081214447,0.2792346309368789
EOS-3-13801,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncn6)cc5)n34)nc2)nc1,PJMHOPIXDJXROO-UHFFFAOYSA-N,3,1,0.303,38,983,429.447,3.767,6,0.417,0.72,1.0,0.2337399766979645,0.14773661846343636,0.41282297306558835,0.40024672743472,0.2986365739154273
EOS-3-13802,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccc4F)n23)cc1F,FYWIHAZQLWGNTI-UHFFFAOYSA-N,3,1,0.461,2,817,431.406,3.809,5,0.418,0.74,1.0,0.7810722363100542,0.7408590912206154,0.8415632924405455,0.7989771091768899,0.7906179322870263
EOS-3-13803,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)cc1,APDNMAFTTJCUPG-UHFFFAOYSA-N,3,1,0.333,3,642,453.897,4.093,6,0.399,0.74,1.0,0.02618908916455349,0.19737338085120965,0.5226852169145364,0.6037111918305805,0.33748971969022
EOS-3-13804,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncn(C)n6)cc5)n34)cn2)cn1C,XJLZBKRCLZQDIE-UHFFFAOYSA-N,3,1,0.299,98,725,448.494,3.358,6,0.407,0.69,1.0,0.17523644712494002,0.14037763004591872,0.18770988965800836,0.13321568089918442,0.1591349119320129
EOS-3-13805,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)cn1C,ZZSYEUMICYSNKC-UHFFFAOYSA-N,3,1,0.329,25,791,448.494,3.358,6,0.407,0.69,1.0,0.13713076554040163,0.09690048660132959,0.18115619217325749,0.1735915975601398,0.1471947604687821
EOS-3-13806,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(C)n4)n23)c(F)c1,SXBYUYDRYGWQGZ-UHFFFAOYSA-N,3,1,0.5,4,677,429.459,4.096,5,0.404,0.81,1.0,0.531980330340621,0.5124477417586183,0.4567969981495442,0.36242375436913166,0.4659122061544788
EOS-3-13807,Cc1cc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCc3ccc(C#N)nc3)n12,JKWHBTNXIYHRFX-UHFFFAOYSA-N,3,1,0.573,16,256,422.452,3.346,5,0.427,0.75,1.0,0.4455486258652594,0.31366081831265846,0.6495442395997533,0.5039750531149338,0.47818218422315123
EOS-3-13808,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(Cl)c2)nn1,CGDKYOJMCWKAOP-UHFFFAOYSA-N,3,1,0.542,4,32,453.293,3.868,5,0.399,0.75,1.0,0.5114711123295183,0.6936210677815091,0.5596257967240079,0.662471729148105,0.6067974264957852
EOS-3-13809,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncccc5F)ccc4F)n23)cn1,HLYYMGVUGZKETF-UHFFFAOYSA-N,3,1,0.467,97,801,430.418,4.414,5,0.411,0.8,1.0,0.8414947570420122,0.8164879035021588,0.8648139263929819,0.8321825097662943,0.8387447741758618
EOS-3-13810,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)c(F)c1,DGAHSZALJFUKSN-UHFFFAOYSA-N,3,1,0.337,25,219,467.443,3.989,6,0.387,0.77,1.0,0.14502090329655268,0.34283976423822904,0.6168442875745322,0.7138047426495785,0.45462742443972315
EOS-3-13811,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nccc(-c5ccc(F)cc5)n4)n23)nc1,CQVXCBKCKGVMJU-UHFFFAOYSA-N,3,1,0.31,32,693,449.453,3.85,6,0.403,0.72,1.0,0.12040812829826605,0.23188952093756426,0.44257590295387567,0.4697673223219793,0.3161602186279213
EOS-3-13813,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)n1,LSJJEKJTLRZOGD-UHFFFAOYSA-N,3,1,0.529,43,630,447.861,4.323,5,0.396,0.76,1.0,0.8165307381262422,0.8202487834966761,0.7349222123226646,0.7482866150366665,0.7799970872455624
EOS-3-13814,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)cc1,GHBUSRXEXXTFDT-UHFFFAOYSA-N,3,1,0.384,93,228,448.465,4.455,6,0.396,0.78,1.0,0.22552429579878008,0.35241758618326363,0.6466828867109862,0.726946405318347,0.4878927935028442
EOS-3-13815,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5cccnc5)n34)c(Cl)cn2)cn1,YJTBMPHVHAYAJU-UHFFFAOYSA-N,3,1,0.467,55,879,440.854,3.747,5,0.406,0.71,1.0,0.7893735864574053,0.841888835583579,0.7425810431087657,0.7269549722431636,0.7751996093482285
EOS-3-13816,Cc1ncc(-c2cncc3nnc(-c4ccc(C(N)=O)s4)n23)c(OC(F)(F)F)n1,BPZMWTCMMVNQOY-UHFFFAOYSA-N,3,1,0.275,68,127,421.364,2.616,4,0.538,0.62,0.997,0.4478359947913097,0.36686142142416556,0.5261205537660202,0.35891131519429786,0.4249323212939483
EOS-3-13817,Clc1cc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)ncn1,CBIOUPWUMNUHKR-UHFFFAOYSA-N,3,1,0.548,35,201,429.871,3.918,5,0.378,0.76,1.0,0.8460609279692961,0.8314371873072441,0.5919745048317456,0.6006699335206634,0.7175356384072373
EOS-3-13818,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)nc1,ZHWFZLXQKJZMIN-UHFFFAOYSA-N,3,1,0.264,98,866,436.443,1.839,6,0.406,0.63,1.0,0.02083476115413611,0.040495853608388734,0.058512096497841136,0.0717222945651429,0.04789125145637722
EOS-3-13819,CCn1c(-c2cnc(Cl)cn2)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3CO)n12,PLQVJOVFHOOISZ-UHFFFAOYSA-N,3,1,0.358,50,311,468.308,3.326,5,0.417,0.73,0.524,0.18980878623809197,0.3905661023918854,0.14962134192310328,0.34930779247481325,0.26982600575697346
EOS-3-13820,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)cc(Cl)c4)n23)cc1,GXOSEZKIMBDNQS-UHFFFAOYSA-N,3,1,0.566,13,15,438.278,4.686,5,0.405,0.82,1.0,0.60011308340758,0.6165358782811322,0.721994722774313,0.7967154410252896,0.6838397813720787
EOS-3-13821,Cn1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1-c1ccc(Cl)nc1,XTVVVLCIOOZVNT-UHFFFAOYSA-N,3,1,0.512,95,965,435.85,3.958,5,0.389,0.8,1.0,0.5114796792543349,0.5263175930368035,0.6960626413542594,0.740430744979782,0.618572664656295
EOS-3-13822,Fc1cc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)ccc1-c1nccs1,NEMPHLTZYXFPEZ-UHFFFAOYSA-N,3,1,0.333,3,158,441.455,3.697,6,0.411,0.68,1.0,0.041960797752038925,0.2067541635254609,0.21544959221437873,0.3145175107943253,0.19467051607155095
EOS-3-13823,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)cc4)n23)nc1,DGKCTWIYDYWRFV-UHFFFAOYSA-N,3,1,0.392,25,74,465.908,4.364,6,0.381,0.82,1.0,0.25023130697005,0.4003666643821534,0.4846909053526146,0.6247515591803167,0.4400101089712837
EOS-3-13824,COc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cn2)cn1,LOBPFQRRJFDUPW-UHFFFAOYSA-N,3,1,0.312,74,450,471.456,2.474,6,0.4,0.72,1.0,0.1752450140497567,0.19738194777602633,0.1434445891302858,0.14218525118223563,0.1645642005345761
EOS-3-13825,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cn2)cc1,PFIVSULZTWKSIF-UHFFFAOYSA-N,3,1,0.372,3,150,452.428,4.379,6,0.395,0.75,1.0,0.052506682201357,0.22713487766431362,0.7751010897128366,0.7967240079501062,0.4628666643821534
EOS-3-13826,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)n2)cc1,CZEQBYFHFIYTOF-UHFFFAOYSA-N,3,1,0.346,3,118,452.428,4.379,6,0.395,0.75,1.0,0.059497292851757935,0.2523045027756836,0.7220032896991296,0.7828627235967377,0.45416695223082726
EOS-3-13827,Cc1cccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)n1,COGMDQBCHZWVNQ-UHFFFAOYSA-N,3,1,0.426,46,181,429.871,4.184,5,0.413,0.73,1.0,0.5917688986361456,0.49914330751833325,0.5764084024398601,0.5668391474196423,0.5585399390034953
EOS-3-13828,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)nc1,DXVVSIIGEKAHJA-UHFFFAOYSA-N,3,1,0.349,52,821,477.528,3.696,6,0.389,0.84,0.998,0.030943732437804124,0.0007110547597834281,0.02497258584058666,0.07572304845452676,0.03308760537317525
EOS-3-13829,Cc1ncc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)n(C)n4)n23)cn1,DUOXVLXPTAYUAV-UHFFFAOYSA-N,3,1,0.5,95,998,448.437,3.19,5,0.394,0.71,0.995,0.4814269069974642,0.3428483311630457,0.47406791857994657,0.4446233979850593,0.43574163868137894
EOS-3-13830,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnn5)n34)ccc2F)cn1,CJLISERYWNZCIO-UHFFFAOYSA-N,3,1,0.489,37,426,428.431,3.107,5,0.406,0.69,1.0,0.7810808032348708,0.8085549311219244,0.36516517031046536,0.3428568980878624,0.5744144506887808
EOS-3-13831,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccncn5)cnn4)n23)nc1,ORGAJTQFJYCSGX-UHFFFAOYSA-N,3,1,0.408,33,53,440.427,1.372,5,0.411,0.63,0.996,0.35250325543143035,0.1129720375573984,0.0958296209992461,0.04357994654238914,0.151221215132616
EOS-3-13833,Cc1c(-c2cnc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cc5)n34)cn2)cnn1C,JEMBOQWJFDPQMJ-UHFFFAOYSA-N,3,1,0.247,98,765,449.482,2.753,6,0.403,0.65,1.0,0.037437461448838326,0.025786443698170104,0.09838256459461311,0.08621753135494482,0.061956000274141595
EOS-3-13834,COCc1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cc5F)cn4)n23)cn1,INPJMUUCZZUYEC-UHFFFAOYSA-N,3,1,0.357,82,155,431.406,3.735,5,0.419,0.71,1.0,0.47659516140086355,0.5307038585429374,0.7062744157357275,0.677044068261257,0.5976543759851963
EOS-3-13835,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)ncc1F,IRZBKDJPYQZRFM-UHFFFAOYSA-N,3,1,0.523,59,391,449.396,3.948,5,0.401,0.74,1.0,0.8827016654101844,0.9138424371187719,0.7114488383249948,0.6914964704269755,0.7998723528202316
EOS-3-13836,CCNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cncs5)nn4)n23)cc1,GFRYVYOSSSMMSU-UHFFFAOYSA-N,3,1,0.414,52,886,456.535,3.24,5,0.4,0.69,1.0,0.11529367418271537,0.055230964293057364,0.06850969775889247,0.044899252964155985,0.07098339729970529
EOS-3-13837,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)cc4)n23)n1,XNXJWSVCWXDYOO-UHFFFAOYSA-N,3,1,0.512,15,460,434.891,3.2,5,0.408,0.72,1.0,0.5603539853334247,0.6210934822835995,0.2842077307929546,0.3052823658419574,0.442734391062984
EOS-3-13838,Cn1nc(-c2ncccc2F)nc1-c1cncc2nnc(-c3cc(Cl)ccc3Cl)n12,FZIHWQCBBKXANK-UHFFFAOYSA-N,3,1,0.329,22,844,441.257,4.095,5,0.419,0.7,0.974,0.13959803988760194,0.34768007675964635,0.39521794256733606,0.6624802960729217,0.3862440888218765
EOS-3-13839,Cn1cc(-c2cncc3nnc(-c4c(F)cccc4Br)n23)c(-c2nccn2C)n1,JRIQWMJCNJVVSP-UHFFFAOYSA-N,3,1,0.333,22,844,453.279,3.494,5,0.418,0.68,1.0,0.12595949557946678,0.2985401960112398,0.30942875745322457,0.3941299431156192,0.2820145980398876
EOS-3-13840,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(C#N)n6C)c(F)c5)n34)cn2)cn1,CDGMFTZUFOQSLE-UHFFFAOYSA-N,3,1,0.287,98,151,464.468,3.394,6,0.396,0.73,1.0,0.043408608046055785,0.2422297991912823,0.7139161126721952,0.6538020012336372,0.4133391302857926
EOS-3-13841,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)nc1,AJIFQMSLBNLBQH-UHFFFAOYSA-N,3,1,0.4,53,587,435.81,2.805,5,0.41,0.63,1.0,0.5216657528613529,0.5217171544102529,0.365173737235282,0.44463196490987594,0.46329715235419094
EOS-3-13842,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nccnn5)cc4F)n23)c1,YSIPEKJKJMTDOK-UHFFFAOYSA-N,3,1,0.662,91,876,431.406,3.543,5,0.406,0.71,1.0,0.9212528270851895,0.9553663217051607,0.7193304091563293,0.7325234733739977,0.8321182578301692
EOS-3-13843,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)n1,JSUKMVSTKNZXCP-UHFFFAOYSA-N,3,1,0.338,42,327,433.435,3.669,6,0.41,0.71,1.0,0.20077445000342678,0.15943903776300458,0.2547889109725173,0.24801247344253308,0.21575371804537044
EOS-3-13844,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ncn2)nc1,VLZMNRQTVXQZAQ-UHFFFAOYSA-N,3,1,0.456,18,481,430.859,3.313,5,0.404,0.7,1.0,0.6732574874922898,0.6019121376190802,0.35777191419368104,0.40638921252827087,0.5098326879583305
EOS-3-13845,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)n5)nc4)n23)nn1,CKQLWJUJDBEBJG-UHFFFAOYSA-N,3,1,0.274,99,601,453.405,1.43,6,0.356,0.71,1.0,0.15650058255088753,0.19739051470084298,0.02607771914193681,0.044907819888972654,0.10621915907065999
EOS-3-13846,Cc1ccc(-c2nnc3cncc(-c4nc(C)ncc4OCc4ccc(F)c(F)c4)n23)nc1,DVIFTRJXQLUYGW-UHFFFAOYSA-N,3,1,0.368,44,294,445.433,4.117,5,0.402,0.75,0.833,0.5422777739702557,0.5353471317935714,0.6660698375711055,0.6160389966417654,0.5899334349941745
EOS-3-13847,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)c(F)n1,SFXKWJKFLGJKIT-UHFFFAOYSA-N,3,1,0.511,89,408,445.418,1.799,5,0.417,0.63,1.0,0.46166301144541155,0.2985487629360565,0.23345726817901447,0.13765334795421835,0.28283059762867524
EOS-3-13848,Fc1cc(-c2nnc3cncc(OCc4nc(-c5cccnn5)no4)n23)ccc1Cl,DFNDLSPCHBWIPD-UHFFFAOYSA-N,3,1,0.517,73,391,424.783,3.003,5,0.419,0.77,1.0,0.6885237475155918,0.8242495373860599,0.3132067712973751,0.43207285312864097,0.564513227331917
EOS-3-13849,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)n1,XINZKBWLBQWMLT-UHFFFAOYSA-N,3,1,0.293,98,63,434.427,1.896,6,0.404,0.69,1.0,0.10726646562949764,0.06678774587074224,0.05293502844219039,0.07173086148995957,0.07468002535809745
EOS-3-13850,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cc1,AAYDATONBLRRRR-UHFFFAOYSA-N,3,1,0.309,8,973,422.416,1.624,6,0.416,0.7,1.0,0.02084332807895278,0.025795010622986773,0.031629086423137553,0.03865396477280515,0.029230347474470564
EOS-3-13851,OCc1cccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)n1,VIKJQQLVTRZBDX-UHFFFAOYSA-N,3,1,0.467,13,145,448.845,4.325,5,0.427,0.74,1.0,0.7608457268179014,0.8384020971831951,0.8226046878212597,0.8202316496470426,0.8105210403673497
EOS-3-13852,CCn1cc(-c2cncc3nnc(-c4ccc(C(=O)NC)cn4)n23)c(-c2ccnn2CC)n1,RHMDUEHYLSLCCM-UHFFFAOYSA-N,3,1,0.262,33,432,442.487,2.313,5,0.428,0.64,0.986,0.02619765608937016,0.009286546501267905,0.017545062024535672,0.005902611198684121,0.014732968953464464
EOS-3-13853,CCc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,JYSWVIMYNWQSCE-UHFFFAOYSA-N,3,1,0.321,25,508,449.478,3.866,6,0.39,0.76,1.0,0.12892365156603386,0.07042868891782605,0.29496778836268933,0.2807295593173874,0.19376242204098415
EOS-3-13854,Cc1ccnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)c2)n1,ACLIRSHAPDBPJL-UHFFFAOYSA-N,3,1,0.262,70,957,444.462,3.471,6,0.402,0.67,0.996,0.09489582619422932,0.05523953121787403,0.24755842642724968,0.25398362003975056,0.1629193509697759
EOS-3-13855,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cn5)nc4)n23)o1,QQJLNJHWHDFVGO-UHFFFAOYSA-N,3,1,0.283,99,601,441.39,2.233,6,0.4,0.69,1.0,0.1645449249537386,0.23189808786238092,0.0729473648139264,0.11316907682818175,0.1456398636145569
EOS-3-13856,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccncc5)n4C)n23)cc1,XYBNLEGRPCVEHI-UHFFFAOYSA-N,3,1,0.357,8,890,435.455,2.444,6,0.414,0.65,1.0,0.04488211911452265,0.023447673223219792,0.056618806113357546,0.07573161537934343,0.05017005345761086
EOS-3-13857,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)nc1,XFLJDASVTXJIRY-UHFFFAOYSA-N,3,1,0.325,98,42,452.457,3.188,6,0.405,0.67,1.0,0.23374854362278116,0.3035432801041738,0.3094373243780413,0.30184702899047355,0.2871440442738674
EOS-3-13858,Cn1nc(Cl)cc1COc1cncc2nnc(-c3ncc(F)c(-c4cccnc4)n3)n12,UXKIMYFSKQBZEV-UHFFFAOYSA-N,3,1,0.419,7,85,437.826,2.748,5,0.413,0.68,1.0,0.3640343362346652,0.37163319854704957,0.1845829620999246,0.24222123226646564,0.29061793228702626
EOS-3-13859,Cc1cc(OCc2cncc3nnc(-c4cccc(-c5cnnn5C)c4)n23)ccc1Cl,CHUDHEWPPUUZKM-UHFFFAOYSA-N,3,1,0.434,14,189,431.887,4.128,5,0.416,0.76,1.0,0.3339901309026112,0.4324155301213077,0.6495528065245699,0.6394952367898019,0.5138634260845727
EOS-3-13860,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)nc1,XSMLVVPSVGXDKT-UHFFFAOYSA-N,3,1,0.5,2,491,435.369,3.64,5,0.416,0.71,1.0,0.8509355081899801,0.812512850387225,0.8497104379411966,0.8403296552669454,0.8383721129463367
EOS-3-13861,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)nc5)n34)cn2)nn1,DJKXRNYLRFVXPC-UHFFFAOYSA-N,3,1,0.33,42,106,444.462,3.471,6,0.402,0.68,1.0,0.1537163319854705,0.10986224384894798,0.23346583510383112,0.2187307244191625,0.17894378383935303
EOS-3-13862,COCc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)c(F)c4F)n23)cn1,ZFTCIRWOSJDAOH-UHFFFAOYSA-N,3,1,0.361,82,478,432.394,3.13,5,0.417,0.67,1.0,0.44784456171612635,0.46753992186964566,0.7349307792474813,0.6944263587142759,0.5861854053868824
EOS-3-13863,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)ccc1-c1cccnn1,RUSSXWUAMLOOPL-UHFFFAOYSA-N,3,1,0.333,9,340,447.437,3.906,6,0.4,0.69,1.0,0.3387019395517785,0.39517510794325267,0.682458364745391,0.7052206839832773,0.5303890240559248
EOS-3-13864,CCc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C)nc5)n34)ncn2)cn1,YYDCRDUEOIMSOQ-UHFFFAOYSA-N,3,1,0.462,4,205,424.468,3.488,5,0.408,0.76,1.0,0.44555719279007605,0.35242615310808034,0.2804211500239874,0.16544445205948874,0.3109622369954081
EOS-3-13865,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(=O)NC5CC5)cc4Cl)n23)cc1F,RJPVCFLRNHUQSF-UHFFFAOYSA-N,3,1,0.512,0,536,480.887,3.154,5,0.418,0.85,1.0,0.6885323144404085,0.4675484887944623,0.4740764855047632,0.5071876499211843,0.5343362346652045
EOS-3-13866,Cc1n[nH]c(-c2cc(F)ccc2-c2nnc3cncc(-c4cnc(-c5cncnn5)nc4)n23)n1,PVXQMQLLIQMLMV-UHFFFAOYSA-N,3,1,0.297,86,780,452.417,2.333,6,0.422,0.66,0.999,0.22262867521074636,0.29855732986087313,0.15558392159550408,0.18999725858405866,0.21669179631279556
EOS-3-13867,Cc1ccn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncn6)cc5)n34)n2)n1,TYFKCMKNRJFLJS-UHFFFAOYSA-N,3,1,0.299,38,193,431.463,3.804,6,0.418,0.71,1.0,0.028587828113220477,0.028202316496470425,0.3353522719484614,0.3145260777191419,0.17666712356932357
EOS-3-13868,Fc1ccc(-c2cnccn2)cc1-c1nnc2cncc(OCc3cc(Cl)ccn3)n12,CMBWPICMHDUHOI-UHFFFAOYSA-N,3,1,0.529,73,540,433.834,4.015,5,0.413,0.74,1.0,0.6885408813652252,0.762507710232335,0.7683503529573025,0.7989856761017066,0.7545961551641424
EOS-3-13869,Fc1cnc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5F)n34)ccn2)nc1,BNUDGEYFUOPFOC-UHFFFAOYSA-N,3,1,0.494,73,110,437.797,4.367,5,0.412,0.74,1.0,0.859733739976698,0.8668100198752656,0.807227057775341,0.8459324240970462,0.8449258104310877
EOS-3-13870,Clc1ccnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cn2)c1,JCJWCGUBHTXHSX-UHFFFAOYSA-N,3,1,0.303,86,151,453.857,2.939,6,0.396,0.68,1.0,0.011265506133918168,0.12954903707765061,0.30583921595504077,0.3941385100404359,0.21019806730176135
EOS-3-13871,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)cn1,RFHZNDUKAQZSJI-UHFFFAOYSA-N,3,1,0.398,67,765,455.417,2.698,6,0.416,0.66,1.0,0.544950654513056,0.5926941265163457,0.23685833733123157,0.23344013432938113,0.4019858131725036
EOS-3-13872,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5cocn5)ccc4F)n23)cc1,NHDRBPSZMAAOTO-UHFFFAOYSA-N,3,1,0.495,62,637,470.464,4.057,6,0.382,0.84,1.0,0.6370707970666849,0.2883112877801384,0.5017048180385169,0.5039836200397505,0.48276763073127266
EOS-3-13873,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(Cc4cccc(F)c4)n23)cc1,NSMANZIZURGWMI-UHFFFAOYSA-N,3,1,0.516,66,646,411.387,3.516,4,0.527,0.8,1.0,0.37563395243643344,0.5170567473099856,0.8758481255568501,0.8342300047974779,0.6506922075251867
EOS-3-13874,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccnc5cnc(Cl)cc45)n23)cc1,RCMUBXVMKIXQCA-UHFFFAOYSA-N,3,1,0.318,98,882,439.87,3.85,6,0.386,0.75,1.0,0.23375711054759785,0.28831985470495514,0.4602409019258447,0.5307638270166541,0.37827042354876295
EOS-3-13875,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)n5C)ccc4F)n23)cc1,HGVYCYUFGJSEPD-UHFFFAOYSA-N,3,1,0.529,89,250,472.484,2.973,5,0.404,0.77,1.0,0.5829278322253444,0.3858114591186348,0.3058477828798574,0.20104859159756014,0.3689089164553492
EOS-3-13876,Cc1nc(C(F)(F)F)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,JXXCPUSSQGKCKN-UHFFFAOYSA-N,3,1,0.392,50,243,436.401,3.976,5,0.425,0.7,0.997,0.290333082036872,0.35747207182509766,0.835078130354328,0.6565348502501542,0.5348545336166131
EOS-3-13877,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,DSKKVHZBHUGBFV-UHFFFAOYSA-N,3,1,0.531,36,320,435.879,2.595,5,0.404,0.72,1.0,0.5422863408950723,0.5927026934411623,0.10890274826948118,0.1332242478240011,0.34427900760742924
EOS-3-13878,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cn2)c1,WOPJJNAZIXDIBQ-UHFFFAOYSA-N,3,1,0.333,30,543,447.437,3.906,6,0.4,0.7,0.979,0.21190288534027826,0.2830254951682544,0.3879103556987184,0.5270200808717703,0.3524647042697554
EOS-3-13879,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cccnn5)n4)n23)c1,CJGRZXTYEMZWRB-UHFFFAOYSA-N,3,1,0.321,64,176,447.437,3.906,6,0.4,0.7,0.83,0.22553286272359674,0.2985658967856898,0.34632650263861287,0.4479730655883764,0.32959958193406896
EOS-3-13880,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cn1,JITVSKOTGVWSEI-UHFFFAOYSA-N,3,1,0.296,94,165,432.451,3.106,6,0.418,0.7,1.0,0.0902953875676787,0.0740096634911932,0.3243095058597766,0.29565314234802276,0.19606692481666782
EOS-3-13881,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)cc1,ZNQGRXYCQBZMGL-UHFFFAOYSA-N,3,1,0.628,27,320,434.41,3.498,5,0.404,0.69,1.0,0.6200311836063327,0.4143650195325886,0.6745082585155233,0.5371804537043383,0.5615212288396958
EOS-3-13883,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2F)cn1,WWHRQTJBNCIYFC-UHFFFAOYSA-N,3,1,0.518,20,658,428.431,3.107,5,0.406,0.7,1.0,0.8393958604619286,0.8487937769858132,0.3842351449523679,0.34606092796929616,0.6046214275923514
EOS-3-13884,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)c2)nn1,XNOHYWFKDRUKPN-UHFFFAOYSA-N,3,1,0.598,35,393,428.431,3.107,5,0.406,0.7,1.0,0.8709992461106162,0.8831985470495511,0.37290967034473305,0.34286546501267906,0.6174932321293949
EOS-3-13885,Cn1cc(CCOc2cncc3nnc(-c4cccc(-c5cnn(C)c(=O)c5)c4)n23)cn1,HRYCNXSNIWBTEZ-UHFFFAOYSA-N,3,1,0.543,15,470,428.456,1.907,5,0.407,0.71,1.0,0.26864162840106914,0.14038619697073537,0.20146837091357686,0.15473579603865398,0.19130799808100882
EOS-3-13886,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncc(F)c6)nn5)n34)cn2)c1,GLZVRZHFXPXWJV-UHFFFAOYSA-N,3,1,0.277,86,312,439.418,2.369,6,0.411,0.68,1.0,0.041969364676855594,0.15569529161812076,0.25119936947433347,0.27172572133506956,0.18014743677609485
EOS-3-13887,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(F)cn5)cn4)n23)cn1,KCKTUWLBPSTIRM-UHFFFAOYSA-N,3,1,0.394,85,674,428.391,1.262,5,0.436,0.62,1.0,0.20347303132067712,0.19279007607429238,0.05489685422520732,0.04898567610170653,0.12503640943047084
EOS-3-13888,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(C#N)ccc5Cl)n34)nn2)o1,VDRYNKPOVOLUFT-UHFFFAOYSA-N,3,1,0.407,53,226,445.83,3.044,5,0.396,0.7,0.993,0.6944092248646426,0.644652525529436,0.33536083887327806,0.39704269755328625,0.5178663217051607
EOS-3-13889,CC(CO)NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)cc1,WHMKSXZCDSLHHK-UHFFFAOYSA-N,3,1,0.356,74,274,470.468,2.56,5,0.387,0.75,1.0,0.26066582139675143,0.22714344458913027,0.5162000548283189,0.3589198821191145,0.3407323007333287
EOS-3-13890,Fc1cnc(-c2cnc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)nc1,GOSCOHRIKCBMON-UHFFFAOYSA-N,3,1,0.612,73,996,453.344,2.966,5,0.379,0.67,1.0,0.8219878692344595,0.8549105613049139,0.5465441025289562,0.5104002467274347,0.6834606949489411
EOS-3-13891,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)nc2)n1,XSINAAKTSUAIOD-UHFFFAOYSA-N,3,1,0.267,70,652,436.439,3.007,6,0.41,0.7,1.0,0.09970187101637996,0.0405044205332054,0.09133198547049551,0.0757401823041601,0.07681961483106024
EOS-3-13892,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)cn1,ARXSKZJTRCOOMQ-UHFFFAOYSA-N,3,1,0.506,68,127,439.304,3.176,4,0.423,0.67,1.0,0.657777054348571,0.7670910150092523,0.9666146939894456,0.8879017887739017,0.8198461380302926
EOS-3-13893,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(Cl)nn5)n4)n23)cc1,NZBXKTPXXPIOAN-UHFFFAOYSA-N,3,1,0.542,34,32,452.812,3.549,5,0.399,0.7,1.0,0.873115276540333,0.9405626756219587,0.5162086217531355,0.6247601261051333,0.7386616750051401
EOS-3-13894,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cnccn1,XEJDIINPILCWFK-UHFFFAOYSA-N,3,1,0.512,37,132,448.849,3.452,5,0.389,0.68,1.0,0.8955948872592694,0.907802755123021,0.5089867041326845,0.5731701048591598,0.7213886128435336
EOS-3-13895,Cc1cc(F)cc(-c2ncnc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)n2)c1,WLYJTQKVPUSXAS-UHFFFAOYSA-N,3,1,0.341,42,757,461.464,4.215,6,0.384,0.77,1.0,0.25517442258926737,0.3281817558769104,0.3689003495305325,0.41617264066890547,0.34210729216640395
EOS-3-13896,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)cc3F)n12,BDXLAASHLLOOEW-UHFFFAOYSA-N,3,1,0.679,88,732,430.418,4.148,5,0.403,0.75,1.0,0.9170036323761223,0.9479302309642931,0.8479199506545131,0.8459409910218628,0.8896987012541978
EOS-3-13897,Fc1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)ncn1,CYWCEBUHGBKYLO-UHFFFAOYSA-N,3,1,0.349,29,315,420.358,3.782,5,0.408,0.79,1.0,0.35037009115208007,0.5353556987183881,0.815399904050442,0.8032777054348571,0.6261008498389419
EOS-3-13898,Cc1nccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)cn2)n1,CDYZQGVJGUIZFB-UHFFFAOYSA-N,3,1,0.287,98,150,434.467,3.143,6,0.42,0.66,1.0,0.0045576040024672745,0.010194640531834692,0.2618908916455349,0.2132221917620451,0.1224663319854705
EOS-3-13899,Cc1nnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1C,MOHIBCBVJIRPKQ-UHFFFAOYSA-N,3,1,0.549,36,404,433.863,2.918,5,0.416,0.69,1.0,0.5889418134466452,0.7670995819340689,0.1284610376259338,0.19289287917209239,0.4193488280446851
EOS-3-13900,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cccc(Cl)n5)n4)n23)cc1,BHXYBMCHSOOFLF-UHFFFAOYSA-N,3,1,0.561,34,335,423.795,3.608,5,0.395,0.82,1.0,0.7838736207251045,0.7712031389212528,0.3842437118771846,0.5071962168460009,0.6116291720923857
EOS-3-13901,Cc1ccc(F)c(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2)c1,ZOGHOORKESEOJQ-UHFFFAOYSA-N,3,1,0.483,19,691,427.443,3.712,5,0.408,0.74,0.998,0.7492118429168666,0.6067181824412309,0.5261291206908368,0.5237132478925365,0.6014430984853677
EOS-3-13902,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cccnn5)n4)n23)cc1F,MVHNKKIPTBIIGU-UHFFFAOYSA-N,3,1,0.402,14,81,474.887,3.386,5,0.415,0.72,1.0,0.31403776300459185,0.3327393598793777,0.4425844698786923,0.45420978685491054,0.38589284490439313
EOS-3-13903,Cc1ncc(-c2cccc(-c3nnc4cncc(CN(C)c5ccc(F)cc5)n34)c2)cn1,JMZQHXWYTAWRMS-UHFFFAOYSA-N,3,1,0.408,14,18,425.471,4.332,5,0.417,0.79,1.0,0.20630011651017752,0.21161160989651154,0.654941402234254,0.5442138989788226,0.4042667569049414
EOS-3-13904,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)nn1,PAGPYZIBDZFKBP-UHFFFAOYSA-N,3,1,0.462,2,875,430.859,3.579,5,0.416,0.71,1.0,0.5576639709409911,0.5880422863408951,0.4914073744088822,0.485016448495648,0.5305325200466041
EOS-3-13905,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)n1,XEZAABLCLCJEPX-UHFFFAOYSA-N,3,1,0.494,24,912,430.859,3.579,5,0.416,0.71,1.0,0.49144164210814884,0.5170653142348023,0.33889897882256187,0.330049345486944,0.41936382016311424
EOS-3-13906,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cc5)n34)cn2)n(C)n1,OMWKRUPBQRGZAB-UHFFFAOYSA-N,3,1,0.264,98,727,434.467,3.347,6,0.452,0.67,0.998,0.06656500582550888,0.05134158042629018,0.13136522513878418,0.137661914879035,0.09673343156740456
EOS-3-13907,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccnc(-c5ccc(F)nc5)n4)n23)cc1,LBLJYPHAFUZFFK-UHFFFAOYSA-N,3,1,0.582,89,731,456.441,2.503,5,0.369,0.72,1.0,0.6885494482900418,0.2937255842642725,0.2914296484134055,0.21605784387636215,0.3724406312110205
EOS-3-13908,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccc(C#N)cc6)cc5)n34)n2)nn1,WEFCLKZNPBYATK-UHFFFAOYSA-N,3,1,0.383,38,774,456.473,3.582,6,0.394,0.72,1.0,0.10484202590638064,0.16325131930642175,0.44259303680350903,0.48502501542046467,0.29892784935919403
EOS-3-13909,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc[nH]5)cn4)n23)cc1,VIMFDESMZHJTDB-UHFFFAOYSA-N,3,1,0.289,98,642,420.44,3.039,6,0.466,0.7,1.0,0.06130491398807484,0.04406826125693921,0.2404992803783154,0.2422297991912823,0.14702556370365294
EOS-3-13910,c1cnnc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)c1,JHHKEIHMTIUWTI-UHFFFAOYSA-N,3,1,0.293,94,136,431.423,2.557,6,0.41,0.67,0.996,0.13713933246521828,0.11911452265094921,0.14962990884791996,0.1819529161812076,0.14695917003632375
EOS-3-13911,Cc1ccnc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)c2)n1,DKAHWQPKIYBFLH-UHFFFAOYSA-N,3,1,0.536,2,131,429.871,4.184,5,0.413,0.74,1.0,0.709718319512028,0.6936296347063258,0.5764169693646769,0.5887362072510451,0.642125282708519
EOS-3-13912,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5csnn5)cn4)n23)nc1,HHOWQRKWOPNHEE-UHFFFAOYSA-N,3,1,0.419,33,53,446.456,1.433,5,0.406,0.66,1.0,0.23936844630251525,0.11298060448221506,0.03424199849222123,0.014435268316085258,0.1002565793982592
EOS-3-13913,Cn1cnc(-c2cc(F)cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cc1=O,ZGCVOIYJUASVRV-UHFFFAOYSA-N,3,1,0.456,13,145,450.38,3.762,5,0.414,0.7,1.0,0.55013364402714,0.5778133781097937,0.890240559248852,0.8837725310122678,0.7254900280995135
EOS-3-13914,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)n2)n1,WCAVXKNHEFCHCY-UHFFFAOYSA-N,3,1,0.322,76,272,438.48,3.167,6,0.412,0.69,1.0,0.03464464395860462,0.028210883421287095,0.04260331711328901,0.061544787882941536,0.04175090809403057
EOS-3-13915,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cc1=O,TVKLUPQBRCSZPL-UHFFFAOYSA-N,3,1,0.433,51,196,446.858,2.574,5,0.404,0.66,1.0,0.5295901583167706,0.404941402234254,0.272693783839353,0.2865722020423549,0.3734493866081831
EOS-3-13916,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4F)n23)cc1,QVPBYLZMTHKTSS-UHFFFAOYSA-N,3,1,0.351,9,642,451.469,3.793,6,0.405,0.69,1.0,0.24457713659104927,0.2985744637105065,0.5017133849633335,0.4878349667603317,0.38317498800630523
EOS-3-13917,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccncc4-c4cccc(F)c4)n23)cc1,ZKWYQLXFAQXQIN-UHFFFAOYSA-N,3,1,0.366,9,38,448.465,4.455,6,0.396,0.8,1.0,0.2502398738948667,0.262482009457885,0.6608525803577547,0.69986635597286,0.46836020492084157
EOS-3-13918,Fc1cnc(N2CC(Oc3cncc4nnc(-c5cc(-c6ccccc6)ccn5)n34)C2)nc1,TXKKZJBGYCYGOQ-UHFFFAOYSA-N,3,1,0.429,11,503,440.442,3.05,6,0.412,0.72,0.991,0.7340483859913646,0.4943543965458159,0.09839113151942978,0.20705400589404427,0.38346197998766357
EOS-3-13919,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,WFICIICOMYOTOW-UHFFFAOYSA-N,3,1,0.658,59,11,430.418,4.414,5,0.411,0.79,1.0,0.9224179288602563,0.8314457542320609,0.8796518401754506,0.8440134329381125,0.86938223905147
EOS-3-13920,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cccnn5)nc4)n23)cc1,WMYUUSQIERWUAO-UHFFFAOYSA-N,3,1,0.266,30,543,430.435,3.162,6,0.415,0.68,0.996,0.06475738468919197,0.03413062846960455,0.16511890891645534,0.24496264820779934,0.1272423925707628
EOS-3-13921,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccnc(-c5cnccn5)n4)n23)cc1,SUSPKDRWFPRUMQ-UHFFFAOYSA-N,3,1,0.301,64,449,430.435,3.162,6,0.415,0.68,0.799,0.12893221849085051,0.07043725584264272,0.10089267356589679,0.14955280652456995,0.11245373860598998
EOS-3-13922,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)nc1,DBYWENTVKBZBFK-UHFFFAOYSA-N,3,1,0.284,33,821,473.447,2.74,6,0.395,0.72,0.746,0.2285227194846138,0.23686690425604826,0.11736686998834898,0.17076451237063944,0.1883802515249126
EOS-3-13923,CCCCCc1nnc(CC)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,GPDWLEYEUWNTGN-UHFFFAOYSA-N,3,1,0.33,63,792,430.516,3.298,4,0.427,0.74,1.0,0.16716640394763896,0.07748783496676033,0.003186896031800425,0.0013792748954835172,0.06230510246042081
EOS-3-13924,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)nc1)N1CCC(F)C1,DTKHYYBHDPAZPI-UHFFFAOYSA-N,3,1,0.33,52,821,466.48,3.494,6,0.399,0.71,0.996,0.08089747104379412,0.0552480981426907,0.03831128778013844,0.12674765266260024,0.07530112740730588
EOS-3-13925,COc1ncccc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)nn1C,OBKNQOYHEAZPAK-UHFFFAOYSA-N,3,1,0.415,13,956,435.394,3.666,5,0.416,0.75,1.0,0.3387105064765952,0.3619611404290316,0.5793040230278939,0.5072047837708177,0.4467951134260846
EOS-3-13926,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nc2)cn1,MVYIPVHHVJNZLK-UHFFFAOYSA-N,3,1,0.595,59,294,419.395,3.444,5,0.434,0.77,1.0,0.6284267699266671,0.4943629634706326,0.8300750462613941,0.7784336234665205,0.6828246007813036
EOS-3-13927,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cc1,FGVRYWYOHHQSCL-UHFFFAOYSA-N,3,1,0.314,9,339,449.453,3.85,6,0.377,0.76,1.0,0.22853128640943046,0.24223836611609897,0.5362723596737715,0.5342248646425879,0.38531671921047217
EOS-3-13928,Cc1cccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)n1,OEKPSEDIIPZBCQ-UHFFFAOYSA-N,3,1,0.263,94,892,433.439,2.594,6,0.412,0.65,0.792,0.0030412583099170723,0.00602254814611747,0.10891131519429785,0.12240422178054966,0.06009483585772051
EOS-3-13929,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cncnn5)n4)n23)cc1,AQWJMYBXZJSLIL-UHFFFAOYSA-N,3,1,0.305,98,973,433.439,2.594,6,0.412,0.65,0.999,0.026206223014186826,0.040512987458022065,0.09350798437392914,0.15760571585223768,0.07945822767459393
EOS-3-13930,Fc1cccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)c1,UMZSRPIGQSROGM-UHFFFAOYSA-N,3,1,0.421,30,203,435.422,4.709,6,0.396,0.86,1.0,0.25280995133986706,0.3951836748680694,0.5328284558974711,0.6304656980330341,0.4528219450346104
EOS-3-13931,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)n1C,VOTYYXDYKXAMLO-UHFFFAOYSA-N,3,1,0.329,30,945,445.49,4.019,6,0.404,0.72,1.0,0.08090603796861079,0.06300973202659174,0.18116475909807417,0.21873929134397915,0.13595495510931396
EOS-3-13932,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)cn1,SURBMMIRTMYEEZ-UHFFFAOYSA-N,3,1,0.421,92,399,428.416,1.055,5,0.418,0.67,1.0,0.2820745665136043,0.14401000616818588,0.060542457679391405,0.026377561510520182,0.12825114796792544
EOS-3-13933,Fc1ccnc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c1,JBTOPXNNBMKMLK-UHFFFAOYSA-N,3,1,0.294,94,615,448.425,3.301,6,0.4,0.67,1.0,0.27635186073607015,0.31889520937564253,0.45338736207251046,0.5104088136522514,0.3897608114591187
EOS-3-13934,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cc1,NKOVDPSHLVLELN-UHFFFAOYSA-N,3,1,0.321,39,449,448.425,3.301,6,0.4,0.67,1.0,0.24202419299568226,0.3189037763004592,0.3463350695634295,0.4256647933657734,0.3332319580563361
EOS-3-13935,Cc1cncc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccc(C)n5)n34)cn2)c1,ACYFJIXRIXECNN-UHFFFAOYSA-N,3,1,0.229,86,953,446.478,3.508,6,0.404,0.69,0.35,0.00029984236858337333,0.0021759989034336237,0.1619662805839216,0.15761428277705436,0.08051410115824824
EOS-3-13936,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5ncccn5)nc4)n23)c(-c2ccc(F)cc2)n1,RHRXFQUYODTWDN-UHFFFAOYSA-N,3,1,0.304,64,449,461.464,4.215,6,0.384,0.79,1.0,0.29034164896168874,0.3574806387499143,0.33171132890137756,0.3879617572476184,0.34187384346514976
EOS-3-13937,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(CO)c(F)c5)n34)c(Cl)c2)nn1,LPXHXPVVADVNHU-UHFFFAOYSA-N,3,1,0.321,96,648,446.873,4.509,5,0.437,0.73,1.0,0.44325269001439244,0.5724419162497429,0.9032194503461037,0.9059951339867042,0.7062272976492359
EOS-3-13938,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cnn2)o1,RIMZIUIXTAULJY-UHFFFAOYSA-N,3,1,0.483,53,226,430.388,1.013,5,0.407,0.7,1.0,0.3756425193612501,0.14774518538825304,0.02106606812418614,0.008438420944417793,0.13822304845452676
EOS-3-13939,Cn1cnnc1-c1ccc(-c2nnc3cncc(Cn4nnc5c(F)c(Cl)ccc54)n23)cn1,JHERPZCXUBEKBF-UHFFFAOYSA-N,3,1,0.327,99,844,461.852,2.567,6,0.393,0.68,0.816,0.2686501953258858,0.352434720032897,0.11737543691316565,0.24802104036734973,0.24662034815982453
EOS-3-13940,Cn1cc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,DVUACPSWQXSLFQ-UHFFFAOYSA-N,3,1,0.615,43,372,435.85,3.958,5,0.415,0.73,1.0,0.7695411555068192,0.8886813789322184,0.7993283530943732,0.8221763415804263,0.8199318072784594
EOS-3-13941,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)ccc1Cl,GPMPBPGFBMWBTI-UHFFFAOYSA-N,3,1,0.585,4,391,433.834,4.015,5,0.413,0.72,1.0,0.7978976766499897,0.9405712425467754,0.7924919470906723,0.8054280035638407,0.8340972174628195
EOS-3-13942,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nn1)N1CCOC1,OSRHYMYULJHPAA-UHFFFAOYSA-N,3,1,0.34,52,229,451.45,2.135,6,0.404,0.69,0.994,0.030952299362620794,0.001216503323966829,0.006827839078884243,0.019712494003152628,0.014677283942156123
EOS-3-13943,Cc1ncc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cn2)cn1,PNUUKMZEFPCJIF-UHFFFAOYSA-N,3,1,0.34,85,674,424.428,1.431,5,0.442,0.63,1.0,0.10727503255431431,0.055256665067507364,0.058520663422657805,0.029221780549653895,0.06256853539853334
EOS-3-13944,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)o1,FXCHKRTWAGGYEE-UHFFFAOYSA-N,3,1,0.368,96,204,415.388,3.055,5,0.478,0.75,0.999,0.22263724213556302,0.36196970735384826,0.2582242478240011,0.2598690973888013,0.27567507367555344
EOS-3-13945,Cc1nc(F)cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)n1,CCBXDPDZGACYPX-UHFFFAOYSA-N,3,1,0.478,4,820,432.394,3.204,5,0.39,0.76,1.0,0.7281886094167638,0.745459529847166,0.5328370228222877,0.4970701117126996,0.6258888184497292
EOS-3-13946,CCn1cc(-c2cc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)ccn2)cn1,UKIQTNMPVLCPIU-UHFFFAOYSA-N,3,1,0.265,10,880,446.478,3.589,6,0.395,0.72,1.0,0.044890686039339316,0.00555136728120074,0.14345315605510245,0.18196148310602425,0.09396417312041669
EOS-3-13947,Fc1cnn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)c1,DZRZYPXHIUAYFA-UHFFFAOYSA-N,3,1,0.286,30,301,434.438,4.24,6,0.413,0.74,0.833,0.017896305942019054,0.13295010622986772,0.5089952710575012,0.5856606812418614,0.3113755911178123
EOS-3-13948,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nncn5C)nc4)n23)cc1,QMUITJSXCUHLQA-UHFFFAOYSA-N,3,1,0.462,67,789,451.454,2.57,6,0.388,0.7,1.0,0.38257316153793436,0.2624905763827017,0.10359982180796382,0.08988417517647865,0.20963693372626963
EOS-3-13949,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)c2)nn1,BSINFJQZFPMPLN-UHFFFAOYSA-N,3,1,0.28,98,727,455.873,3.087,6,0.429,0.68,1.0,0.1122524158727983,0.2728051538619697,0.3022582413816736,0.3624323212939483,0.2624370331025975
EOS-3-13950,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)cc1F,OGZDCJMVMCKGQJ-UHFFFAOYSA-N,3,1,0.658,13,15,421.823,4.172,5,0.433,0.8,1.0,0.5527122883969571,0.7408676581454321,0.7039099444863272,0.7687444314988692,0.6915585806318965
EOS-3-13951,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)n1,JIWUJUAJTWMCBM-UHFFFAOYSA-N,3,1,0.299,98,865,433.439,2.501,6,0.412,0.66,1.0,0.0559677198272908,0.0630182989514084,0.12011685285449934,0.14714550065108628,0.0965620930710712
EOS-3-13952,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccncc5)n4)n23)nc1,BCUGRAOUIYWZFS-UHFFFAOYSA-N,3,1,0.28,70,957,433.439,2.501,6,0.412,0.66,0.994,0.044899252964155985,0.034139195394421215,0.13137379206360084,0.13099684737166747,0.08535227194846137
EOS-3-13953,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)c1,LQZFLDPZUSHCND-UHFFFAOYSA-N,3,1,0.346,3,289,441.842,3.742,6,0.406,0.74,1.0,0.09725173051881297,0.20676273045027757,0.3424970872455623,0.45733671441299434,0.2759620656569118
EOS-3-13954,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c(F)c1,ZSYJWGQKMIHRNW-UHFFFAOYSA-N,3,1,0.662,91,876,432.434,4.092,5,0.404,0.74,1.0,0.8864025769309849,0.8488023439106298,0.7993369200191899,0.7807895277911041,0.8288328421629771
EOS-3-13955,CCn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ncc(Cl)cc3C)n12,AXEXDJVEUOCLCX-UHFFFAOYSA-N,3,1,0.338,22,844,434.866,4.233,5,0.42,0.77,1.0,0.22853985333424714,0.41437358645740524,0.15559248852032073,0.32357275032554317,0.2805196696593791
EOS-3-13956,Fc1cncc(CCOc2cncc3nnc(-c4cnnc(-c5ncccc5F)c4)n23)c1,YMUHKBAALNZHPN-UHFFFAOYSA-N,3,1,0.474,65,778,432.394,2.938,5,0.403,0.7,0.999,0.7340569529161812,0.6740370776506065,0.5017219518881503,0.537189020629155,0.6117512507710232
EOS-3-13957,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ncc(-c6ccccc6)cc5F)n34)nn2)n1,LUQPBWZSMOCUAF-UHFFFAOYSA-N,3,1,0.279,10,541,451.429,2.64,6,0.398,0.66,0.087,0.12596806250428347,0.19739908162565967,0.09583818792406278,0.17912583099170723,0.1495827907614283
EOS-3-13958,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccnnc5-c5ccc(F)cc5)n34)nc2)n1,WDIOCCGCYVVLJI-UHFFFAOYSA-N,3,1,0.329,98,507,451.429,2.64,6,0.398,0.66,1.0,0.19518881502295937,0.2830340620930711,0.18459152902474127,0.26291892262353506,0.2314333321910767
EOS-3-13959,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1,KMUNUSUPVNQJGN-UHFFFAOYSA-N,3,1,0.293,98,63,422.412,2.699,6,0.421,0.69,1.0,0.17253786580768968,0.08769960934822836,0.16197484750873825,0.1654530189843054,0.14691633541224042
EOS-3-13960,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5)n4)n23)cc1,POOIPZPRQWEWAB-UHFFFAOYSA-N,3,1,0.306,10,827,455.392,2.564,6,0.394,0.67,0.951,0.017031046535535603,0.17576759646357343,0.19464053183469263,0.3815793982592009,0.19225464327325065
EOS-3-13961,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccncc4)n23)cc1,MRELAAJPSWQWHM-UHFFFAOYSA-N,3,1,0.309,38,42,432.451,3.106,6,0.418,0.67,1.0,0.11530224110753204,0.01596018093345213,0.22971352203413062,0.24802960729216642,0.1522513878418203
EOS-3-13962,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccn4)n23)nc1,KFGFBXQKRBZCSX-UHFFFAOYSA-N,3,1,0.416,33,760,443.431,0.71,5,0.397,0.69,0.982,0.24754129257761634,0.10987081077376465,0.023901720238503187,0.007067712973750942,0.09709538414090876
EOS-3-13963,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)nn1,MHOBMRVSTZYGGS-UHFFFAOYSA-N,3,1,0.511,73,212,454.281,3.263,5,0.398,0.7,1.0,0.44556575971489276,0.6594390377630046,0.4024826948118703,0.5104173805770681,0.504476218216709
EOS-3-13964,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)cn1,BWBOZQQDSZFYMZ-UHFFFAOYSA-N,3,1,0.333,70,191,449.453,3.85,6,0.403,0.7,1.0,0.2606743883215681,0.30355184702899046,0.5395706257281886,0.5173137550544856,0.4052776540333082
EOS-3-13965,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cn1,ZAYNHPHMHBQYCQ-UHFFFAOYSA-N,3,1,0.272,10,871,421.428,2.23,6,0.425,0.69,0.835,0.0217428551847029,0.034147762319237884,0.04922554999657323,0.06625659653210883,0.04284319100815571
EOS-3-13966,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5cnc(-c6cnccn6)nc5)n34)cn2)cn1,NUMSBZYQLAQQKF-UHFFFAOYSA-N,3,1,0.321,86,459,449.413,2.696,6,0.37,0.68,1.0,0.2738331848399698,0.31891234322527584,0.2334744020286478,0.2539921869645672,0.27005302926461516
EOS-3-13967,Cc1cnnc(-c2ncncc2-c2nnc3cncc(OCc4c(F)cccc4F)n23)n1,GAERJPGWVMGRLP-UHFFFAOYSA-N,3,1,0.435,73,332,433.382,2.599,5,0.412,0.66,0.995,0.6732660544171064,0.592711260365979,0.3317198958261942,0.3846549242683846,0.495588033719416
EOS-3-13969,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)cc1,CBLYAMWXEOIEJN-UHFFFAOYSA-N,3,1,0.318,30,515,428.459,4.372,6,0.411,0.78,0.998,0.11226098279761497,0.09690905352614626,0.4982095127133164,0.5442224659036392,0.3129005037351792
EOS-3-13970,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)cnn4)n23)cc1,CWBUHORGYFCLRQ-UHFFFAOYSA-N,3,1,0.448,89,398,458.507,3.034,5,0.395,0.69,0.999,0.3213025152491262,0.18005105887190734,0.15883078610102117,0.08274792680419436,0.18573307175656228
EOS-3-13971,COc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ncc(Cl)cc3C)n12,IVPXOBDTLUBJTA-UHFFFAOYSA-N,3,1,0.293,82,100,429.871,4.281,5,0.421,0.76,0.976,0.3733979850592831,0.37649921184291685,0.6078061818929477,0.5887447741758618,0.48661203824275234
EOS-3-13972,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5nnn(C)n5)c4)n23)cc1,IJIAEFDYWOSTBO-UHFFFAOYSA-N,3,1,0.333,74,333,412.417,1.403,5,0.469,0.81,1.0,0.16455349187855528,0.051350147351106844,0.07733363032006031,0.04491638681378932,0.08453841409087795
EOS-3-13973,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cn4)n23)c(F)c1,BRQUIONWHLVEPN-UHFFFAOYSA-N,3,1,0.341,14,81,431.862,4.335,5,0.421,0.74,1.0,0.40434171749708725,0.4764495236789802,0.7087588239325612,0.7507710232335001,0.5850802720855321
EOS-3-13974,CCCOc1ccc2nc(-c3cncc4nnc(-c5ccc(C(=O)NC)nc5)n34)n(CC)c2n1,MMZLVTYXHSCLTJ-UHFFFAOYSA-N,3,1,0.3,63,66,457.498,2.766,5,0.395,0.76,0.999,0.2034815982454938,0.08453841409087794,0.008823932561167843,0.002964155986567062,0.07495202522102667
EOS-3-13975,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)nc1,VFEFAPMPHTWMFZ-UHFFFAOYSA-N,3,1,0.283,42,339,437.492,3.772,6,0.414,0.71,1.0,0.044907819888972654,0.05135871427592351,0.24405455417723254,0.26614865327941883,0.15161743540538689
EOS-3-13976,C#Cc1ncc(-c2nncc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)n2)cn1,MWCZTDDSWPDHJU-UHFFFAOYSA-N,3,1,0.252,33,432,461.449,1.369,6,0.38,0.69,0.997,0.08755397162634501,0.047726338153656366,0.01842745528065246,0.02459564114865328,0.04457585155232678
EOS-3-13977,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)nn1,ARJOWQNKTLASCQ-UHFFFAOYSA-N,3,1,0.311,98,608,423.4,2.094,6,0.414,0.71,1.0,0.085103831128778,0.05526523199232403,0.05852923034747447,0.061553354807758205,0.06511291206908368
EOS-3-13978,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c(Cl)c1,LTRQZDUEZUDVFU-UHFFFAOYSA-N,3,1,0.301,42,369,454.885,3.692,6,0.431,0.71,0.91,0.18981735316290865,0.28304262901788774,0.4775460900555137,0.5104259475018847,0.36520800493454875
EOS-3-13980,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cc(-n6cc(Cl)cn6)cnn5)n34)cc2)nn1,YFKYMQABTKJYOB-UHFFFAOYSA-N,3,1,0.302,98,63,455.873,2.883,6,0.398,0.69,1.0,0.015257693098485368,0.1261993694743335,0.2769087108491536,0.3397128366801453,0.18951965252552944
EOS-3-13981,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)nn1,WAPIZLOQSPCTSS-UHFFFAOYSA-N,3,1,0.314,39,972,451.429,2.64,6,0.398,0.67,0.657,0.13184497292851757,0.17121855938592284,0.09584675484887945,0.1707730792954561,0.14242084161469398
EOS-3-13982,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)n1,LTWPOKSXVSJZDA-UHFFFAOYSA-N,3,1,0.518,43,630,447.861,4.323,5,0.396,0.77,1.0,0.7979062435748064,0.8202573504214927,0.7039185114111438,0.7352306216160647,0.7643281817558769
EOS-3-13983,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)nc4)n23)nc1F)N1CCC1,HEWKUIPSZGDDEE-UHFFFAOYSA-N,3,1,0.344,52,821,470.443,3.434,6,0.371,0.79,0.905,0.18398327736275785,0.26249914330751833,0.03831985470495511,0.15474436296347063,0.1598866595846755
EOS-3-13984,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)c(F)c1,WHMWGYNTQIJEMO-UHFFFAOYSA-N,3,1,0.329,70,314,450.441,3.245,6,0.402,0.67,1.0,0.2255414296484134,0.3235556164759098,0.3952265094921527,0.4063977794530875,0.3376803337673909
EOS-3-13985,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)nn1,VLCDVBGYAZXPLO-UHFFFAOYSA-N,3,1,0.245,86,953,434.427,1.896,6,0.404,0.67,0.675,0.07260468782125969,0.011154136111301487,0.02498115276540333,0.03426769926667123,0.03575191899115893
EOS-3-13986,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)n1,IDMWVIXHVJWEGH-UHFFFAOYSA-N,3,1,0.308,98,167,434.427,1.896,6,0.404,0.67,1.0,0.08091460489342746,0.06302686587622507,0.0935165512987458,0.0977486121581797,0.08380165855664451
EOS-3-13987,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)nn1,UPOSMGOUHSPCPZ-UHFFFAOYSA-N,3,1,0.452,16,606,428.431,3.373,5,0.42,0.68,1.0,0.6284353368514838,0.5353642656432047,0.4460797752038928,0.3589284490439312,0.49220195668562805
EOS-3-13988,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cnccn4)n23)cc1,FULNJWVLMVBCCA-UHFFFAOYSA-N,3,1,0.27,39,495,433.439,2.501,6,0.412,0.67,1.0,0.06305256665067507,0.03096943321225413,0.08427283942156123,0.11065040093208142,0.07223631005414297
EOS-3-13989,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1,PKNXGXZEGRULRE-UHFFFAOYSA-N,3,1,0.414,51,196,416.832,3.271,5,0.43,0.78,1.0,0.5039664861901172,0.5778219450346104,0.35032725652799673,0.4002552943595367,0.4580927455280652
EOS-3-13990,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cc5F)cc4OC)n23)cn1,YBGFUTZHPUSANX-UHFFFAOYSA-N,3,1,0.319,96,204,473.443,3.562,5,0.416,0.74,1.0,0.6370793639915016,0.544488040572956,0.6078147488177644,0.4878435336851484,0.5693064217668425
EOS-3-13991,Cn1cnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)c1,STIHDBLCFYEKSB-UHFFFAOYSA-N,3,1,0.307,98,314,454.885,3.692,6,0.431,0.69,0.999,0.2144129943115619,0.357489205674731,0.402491261736687,0.47578130354328013,0.362543691316565
EOS-3-13992,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)c(F)c4)n23)nc1,YIHFRHMKYIGMBA-UHFFFAOYSA-N,3,1,0.267,39,972,468.431,3.384,6,0.387,0.73,0.999,0.24203275992049894,0.29858303063532315,0.4024998286615037,0.4757898704680968,0.35472637242135563
EOS-3-13993,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)cn5)n34)nn2)n(C)n1,VWJIWOJVZNVDIU-UHFFFAOYSA-N,3,1,0.265,70,944,447.466,2.809,6,0.401,0.67,0.999,0.039030909464738535,0.021203138921252827,0.09585532177369611,0.09775717908299637,0.06346163731067096
EOS-3-13994,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nn5)n34)nc2)n1C,UHFKMJRZLYRLRL-UHFFFAOYSA-N,3,1,0.267,86,944,447.466,2.809,6,0.401,0.67,0.855,0.08092317181824413,0.02345624014803646,0.12012541977931601,0.10197210609279693,0.08161923445959839
EOS-3-13995,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccnn6C)nn5)n34)cc2)nn1,HOPDJSLERQIWDT-UHFFFAOYSA-N,3,1,0.293,98,63,447.466,2.809,6,0.401,0.67,1.0,0.054211500239873894,0.03702624905763827,0.10891988211911452,0.10840586663011445,0.07714087451168528
EOS-3-13996,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(Cl)c2)c1,FCCMMSUEGHMIFW-UHFFFAOYSA-N,3,1,0.363,62,341,469.936,4.404,6,0.412,0.81,1.0,0.2633815365636351,0.2571105475978343,0.4496693167020766,0.5307723939414708,0.3752334487012542
EOS-3-13997,Fc1ccccc1-c1ncc(-c2nnc3cncc(Cc4cncc(C(F)(F)F)c4)n23)cn1,MTNZHBUSQDHJJH-UHFFFAOYSA-N,3,1,0.403,85,260,451.387,4.392,5,0.377,0.79,1.0,0.42014769378383937,0.5537146186005072,0.9694417791789459,0.9507316153793435,0.7235089267356589
EOS-3-13998,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cccnc5Cl)n34)c2)nn1C,VTYSDJQZPCKRII-UHFFFAOYSA-N,3,1,0.488,15,931,432.875,3.523,5,0.392,0.75,1.0,0.5039750531149338,0.4991518744431499,0.2440631211020492,0.25400075388938387,0.37529770063737916
EOS-3-13999,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c2)nc1,XVNGFPZCROJDRM-UHFFFAOYSA-N,3,1,0.482,73,665,435.369,3.64,5,0.416,0.69,1.0,0.7867092728394216,0.6789544924953739,0.8013844150503735,0.8054365704886574,0.7681211877184566
EOS-3-14000,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cn6)nc5)n34)n2)cc1,ONDCTCVQZLDOOO-UHFFFAOYSA-N,3,1,0.324,10,871,454.404,3.169,6,0.399,0.66,0.988,0.047717771228839696,0.1364711123295182,0.36518230416009867,0.46357343567952847,0.25323615584949627
EOS-3-14001,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)[nH]2)c1,KRVHKDNQYIGLRB-UHFFFAOYSA-N,3,1,0.361,3,152,434.438,4.445,6,0.44,0.78,1.0,0.19257590295387567,0.3574977725995477,0.6198427112603659,0.7052292509080941,0.4687864094304708
EOS-3-14002,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cc5F)cn4)n23)cc1,ZLMPLTSWQLOHLC-UHFFFAOYSA-N,3,1,0.265,38,179,467.443,3.989,6,0.387,0.78,1.0,0.1782263038859571,0.2368754711808649,0.5825337536837777,0.610016448495648,0.4019129943115619
EOS-3-14003,N#Cc1cc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)ccc1C(F)(F)F,ZHNUHWUUDBFJMX-UHFFFAOYSA-N,3,1,0.402,66,568,416.754,3.111,4,0.505,0.69,1.0,0.49145020903296555,0.6165444452059489,0.9584161469398944,0.9367503940785415,0.7507902988143376
EOS-3-14004,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)nn1,MTSALVYRQBBCPB-UHFFFAOYSA-N,3,1,0.333,3,668,419.452,3.44,6,0.435,0.77,1.0,0.005834075800150778,0.028219450346103764,0.3729182372695497,0.38797032417243504,0.19873552189705984
EOS-3-14005,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncc4Cl)n23)cc1,TWNYOXVSGBVTEM-UHFFFAOYSA-N,3,1,0.537,73,665,447.861,4.323,5,0.396,0.75,1.0,0.9436296347063258,0.9177146871359056,0.685139812213008,0.6944349256390926,0.810229764923583
EOS-3-14006,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)n1,JWHLNJIQTVCLNM-UHFFFAOYSA-N,3,1,0.511,44,531,445.433,3.851,5,0.392,0.71,1.0,0.752116030429717,0.5927198272907956,0.5596343636488246,0.5795695976972106,0.621009954766637
EOS-3-14007,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(C#N)cn5)c4)n23)cn1,JWAUWJINRKWTOT-UHFFFAOYSA-N,3,1,0.506,97,214,437.438,4.147,5,0.407,0.8,1.0,0.8809882804468508,0.8611472825714481,0.8633575491741484,0.811947433349325,0.8543601363854431
EOS-3-14008,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cc1=O,FAEFKFBJOWGJNT-UHFFFAOYSA-N,3,1,0.642,43,11,462.872,3.924,5,0.393,0.77,1.0,0.8139606606812418,0.6692138989788226,0.8350866972791446,0.8302463847577274,0.7871269104242341
EOS-3-14009,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccn6)cn5)n34)cc2)nn1,OAURAFDNSKCWQU-UHFFFAOYSA-N,3,1,0.311,98,193,420.44,2.834,6,0.432,0.74,1.0,0.00539716263450072,0.01747652662600233,0.23348296895346446,0.2304931121924474,0.12171244260160373
EOS-3-14010,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnsc5)n4)n23)cc1F,ROHLKNKBBZWZOH-UHFFFAOYSA-N,3,1,0.528,97,436,447.455,3.127,5,0.424,0.66,1.0,0.46425022274004524,0.3377424439723117,0.427686587622507,0.3589370159687479,0.39715406757590294
EOS-3-14011,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,RASSRVNBWYCXFH-UHFFFAOYSA-N,3,1,0.378,31,211,433.863,3.092,5,0.402,0.71,0.999,0.28208313343842095,0.262507710232335,0.21222842848331164,0.21006099650469467,0.24172006716469058
EOS-3-14012,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5nc(C)no5)cn4)n23)cn1,QEUZAOCJGHLKDM-UHFFFAOYSA-N,3,1,0.404,51,48,444.415,1.273,5,0.402,0.7,1.0,0.41778322253443906,0.22715201151394696,0.01665410184360222,0.0037351792200671645,0.16633112877801384
EOS-3-14013,Cc1ncc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cc2)nn1,ARUWXYXQUYCPRR-UHFFFAOYSA-N,3,1,0.374,62,740,429.434,4.48,5,0.41,0.78,1.0,0.4295284764580906,0.40494996915907067,0.8415718593653622,0.8032862723596738,0.6198341443355493
EOS-3-14014,Cc1nnc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,OTGJQGRXZQIUCF-UHFFFAOYSA-N,3,1,0.578,36,404,434.851,2.313,5,0.41,0.67,1.0,0.6032828455897471,0.7962613940100062,0.06450037694469193,0.12241278870536632,0.3966143513124529
EOS-3-14015,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(C5(O)CCCC5)ns4)n23)cc1,ZQMCPMGNECIVHT-UHFFFAOYSA-N,3,1,0.32,63,175,447.524,2.964,6,0.483,0.73,1.0,0.18119045987252416,0.10000171338496333,0.0006082516619834145,0.004206360084983894,0.07150169625111369
EOS-3-14016,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5c(F)cccc5F)n4)n23)cc1,UNJYYOUSYCOQFJ-UHFFFAOYSA-N,3,1,0.329,67,642,456.42,3.113,6,0.401,0.67,1.0,0.040512987458022065,0.2271605784387636,0.3651908710849154,0.4446405318346926,0.26937624220409845
EOS-3-14017,Cn1nc(-c2nnc3cncc(OCc4ncnn4C)n23)cc1-c1ccc(Cl)cc1,PHHXFKYVYDQVFV-UHFFFAOYSA-N,3,1,0.448,95,965,421.852,2.553,5,0.429,0.75,1.0,0.35957096840518127,0.45447536152422724,0.11137858954149818,0.1680316633541224,0.2733641457062573
EOS-3-14018,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cc(F)ccn5)n34)nc2)cn1,YYZBVSGKKRSIRE-UHFFFAOYSA-N,3,1,0.287,94,892,450.441,3.245,6,0.402,0.68,1.0,0.11226954972243164,0.22177198272907958,0.40940477006373793,0.4193081351518059,0.2906886094167638
EOS-3-14019,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1,CTVZBTLTPKKHTB-UHFFFAOYSA-N,3,1,0.592,43,138,433.422,4.103,5,0.401,0.76,1.0,0.7867178397642383,0.49437153039544923,0.843096771982729,0.7734562401480365,0.7244105955726132
EOS-3-14020,O=C(c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cc1)N1CCOCC1,XZYLUEQNLZNDSZ-UHFFFAOYSA-N,3,1,0.446,52,376,481.491,3.527,6,0.387,0.89,1.0,0.08756253855116168,0.034156329244054554,0.03832842162977178,0.1495613734493866,0.07740216571859365
EOS-3-14021,Cc1ncnc(-c2ncc(Cl)cn2)c1-c1nnc2cncc(-c3ccc(C(=O)N(C)C)cc3)n12,IDLPANNCNDZDMN-UHFFFAOYSA-N,3,1,0.366,82,856,471.912,3.369,5,0.392,0.75,1.0,0.17254643273250633,0.19279864299910904,0.08161709272839422,0.0662651634569255,0.12830683297923376
EOS-3-14022,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ocnc4-c4ccc(F)cc4)n23)nc1,FDHYNPSGGLFZJB-UHFFFAOYSA-N,3,1,0.364,32,572,438.426,4.048,6,0.409,0.74,1.0,0.2502484408196834,0.3084949626482078,0.4846994722774313,0.5104345144267014,0.388469347543006
EOS-3-14023,Fc1cnc(-c2cccc(C=Cc3cncc4nnc(-c5ccc(F)cc5F)n34)n2)nc1,QUAAWBSZGYFTFZ-UHFFFAOYSA-N,3,1,0.376,73,665,431.381,4.231,5,0.424,0.73,0.999,0.352511822356247,0.5880508532657117,0.7635186073607018,0.7558512096497841,0.6149831231581111
EOS-3-14024,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccsc5)c4)n23)nc1,CNHBFCGIVNAUET-UHFFFAOYSA-N,3,1,0.44,97,348,460.494,3.993,5,0.412,0.72,1.0,0.5603625522582414,0.347688643684463,0.6078233157425811,0.5072133506956343,0.50577196559523
EOS-3-14025,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1-c1ccc(F)nc1,IHZLNVRVJFSXNJ-UHFFFAOYSA-N,3,1,0.293,70,968,439.418,2.573,6,0.415,0.68,0.962,0.11227811664724831,0.24736138715646633,0.254797477897334,0.26890720307038585,0.22083604619285863
EOS-3-14027,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccn2)o1,QADVTZAJBWZHBS-UHFFFAOYSA-N,3,1,0.65,72,996,451.393,3.725,5,0.365,0.77,1.0,0.8342642724967446,0.7361387156466315,0.6549499691590707,0.5537574532245905,0.6947776026317593
EOS-3-14028,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)nn4C)n23)nc1,QNZGCHUSNKYFFQ-UHFFFAOYSA-N,3,1,0.326,74,523,411.429,2.008,5,0.481,0.85,0.998,0.054220067164690564,0.08101740799122747,0.031637653347954216,0.02040641491330272,0.046820385854293746
EOS-3-14029,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cc1,KCJAEKVKJLOAPW-UHFFFAOYSA-N,3,1,0.281,30,301,429.447,3.767,6,0.417,0.71,0.83,0.07442087588239325,0.04407682818175588,0.3171132890137756,0.4064063463779042,0.21050433486395723
EOS-3-14030,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5nnc(Cl)cc5C)ncn4)n23)cn1,IAROBQQEQPZVIL-UHFFFAOYSA-N,3,1,0.356,85,60,429.875,3.294,5,0.428,0.66,1.0,0.3034833116304571,0.38582002604345145,0.18117332602289082,0.2010571585223768,0.26788345555479404
EOS-3-14031,Cn1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)n1,GNVWFYWKIGBXIK-UHFFFAOYSA-N,3,1,0.329,98,725,434.467,3.049,6,0.42,0.64,1.0,0.05597628675210747,0.04408539510657254,0.27691727777397024,0.23931704475361523,0.15407400109656638
EOS-3-14032,Cc1ncc(-c2ccc(F)c(COc3cncc4nnc(-c5ccccc5F)n34)c2)n1C,URLILFYPRYIUOX-UHFFFAOYSA-N,3,1,0.524,43,521,432.434,4.357,5,0.413,0.78,1.0,0.7157237338085121,0.6692224659036392,0.8300836131862107,0.787497429922555,0.7506318107052292
EOS-3-14033,Cn1nc(-c2ccnc(Cl)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,PWCVBJUACUVTRH-UHFFFAOYSA-N,3,1,0.437,22,316,423.267,3.956,5,0.409,0.8,1.0,0.142485093550819,0.43701596874785825,0.38049139880748406,0.6069666232609142,0.3917397710917689
EOS-3-14034,CCc1nnc(-c2nn[nH]n2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC)c(C)c3)n12,RDLOCNVLFSBOHB-UHFFFAOYSA-N,3,1,0.288,74,413,441.459,1.659,5,0.414,0.7,0.969,0.10971660612706463,0.06679631279555891,0.026086286066753478,0.011616750051401548,0.05355398876019465
EOS-3-14035,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)n1,PYZFWUUYXRKTIX-UHFFFAOYSA-N,3,1,0.307,76,356,451.429,2.64,6,0.398,0.68,0.842,0.09030395449249537,0.1672092385717223,0.10612706462888082,0.19290144609690904,0.1391354259475019
EOS-3-14036,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4cc(F)ccc4Cl)n23)cc1F,SFHDLHXRTPPRMY-UHFFFAOYSA-N,3,1,0.353,45,648,466.835,4.405,5,0.421,0.78,1.0,0.41547015283393873,0.512456308683435,0.8134980467411418,0.8281474881776437,0.6423929991090398
EOS-3-14037,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)nc1,LYZCWWYYCLKBLE-UHFFFAOYSA-N,3,1,0.556,43,521,430.418,4.414,5,0.411,0.78,1.0,0.890189157699952,0.7754351997806868,0.8368343499417449,0.8097200328969913,0.8280446850798437
EOS-3-14038,Cc1nc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,BLXZKSCJYGWAHC-UHFFFAOYSA-N,3,1,0.3,98,642,446.478,3.414,6,0.405,0.68,1.0,0.07866150366664382,0.04409396203138921,0.28042971694880403,0.24803817421698307,0.16280583921595504
EOS-3-14039,c1cnnc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)o2)c1,GKBJSELCLFRRAV-UHFFFAOYSA-N,3,1,0.452,71,117,439.399,1.995,6,0.404,0.66,1.0,0.3959975327256528,0.35750633952436434,0.05107600575697348,0.050262147899390035,0.21371050647659515
EOS-3-14040,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cnc(F)cn5)c4)n23)cn1,CNWOPICVUBLUEJ-UHFFFAOYSA-N,3,1,0.483,97,109,431.406,3.809,5,0.418,0.71,1.0,0.7979148104996231,0.7796244260160373,0.7843876362141046,0.7217205811801796,0.7709118634774861
EOS-3-14041,COc1cc(-c2nnc3cncc(OCc4nccc(C)n4)n23)ccc1-c1ccncc1,SVWDFNHBFJYDIA-UHFFFAOYSA-N,3,1,0.436,97,83,425.452,3.539,5,0.407,0.73,1.0,0.420156260708656,0.25711911452265096,0.39523507641696937,0.2629274895483517,0.33385948529915704
EOS-3-14042,COc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cc5)n34)n2)cc1,UYDLJDAMHSAKFL-UHFFFAOYSA-N,3,1,0.39,98,973,464.493,3.152,6,0.382,0.71,1.0,0.09726029744362963,0.09691762045096292,0.15883935302583785,0.1155506819272154,0.11714198821191145
EOS-3-14043,Cc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5F)n34)n2)cc1,OYJLPHBBKOGPSN-UHFFFAOYSA-N,3,1,0.302,10,952,450.441,3.339,6,0.402,0.68,1.0,0.03346240833390446,0.22178054965389624,0.31712185593859227,0.37517133849633333,0.2368840381056816
EOS-3-14044,CCOc1ccc(COc2cncc3nnc(-c4cnc(-c5ccc(F)nc5)nc4)n23)nc1,NPCZTBRIXFBOFS-UHFFFAOYSA-N,3,1,0.495,7,390,444.43,3.155,5,0.349,0.78,1.0,0.5527208553217737,0.597380234391063,0.38425227880200125,0.27788534027825373,0.45305967719827295
EOS-3-14045,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)cc1,IPASNFKXLNZPHM-UHFFFAOYSA-N,3,1,0.292,10,543,437.402,2.63,6,0.441,0.65,0.99,0.2285484202590638,0.32356418340072646,0.20513501473511067,0.30185559591529026,0.2647758035775478
EOS-3-14046,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cn2)cc1,PWCVVHVWPPTJKX-UHFFFAOYSA-N,3,1,0.351,32,154,435.426,3.84,6,0.448,0.7,1.0,0.26339010348845177,0.3858285929682681,0.5628726612295251,0.606975190185731,0.454766636967994
EOS-3-14047,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncc[nH]5)cn4)n23)cc1,IROAOKKOTVZSDW-UHFFFAOYSA-N,3,1,0.309,64,449,435.426,3.84,6,0.448,0.7,0.645,0.23665273113563157,0.30850352957302446,0.42025906380645606,0.50038551161675,0.36645020903296555
EOS-3-14048,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)cn4)n23)cc1,WGUWSUZATDSCAV-UHFFFAOYSA-N,3,1,0.535,89,731,452.478,2.924,5,0.387,0.67,1.0,0.3894010006168186,0.20677129737509423,0.23349153587828114,0.1019806730176136,0.2329111267219519
EOS-3-14049,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cc2)nn1,FLORMBXEQRYYDG-UHFFFAOYSA-N,3,1,0.348,9,867,419.408,3.36,6,0.423,0.78,1.0,0.22554999657323008,0.10669248166678089,0.4165667192104722,0.4193167020766226,0.29203147488177644
EOS-3-14050,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)n1,INOAHMJVTYYQBV-UHFFFAOYSA-N,3,1,0.441,18,181,430.859,3.313,5,0.378,0.73,1.0,0.542294907819889,0.5830220683983277,0.32431807278459324,0.3656620519498321,0.45382427523816055
EOS-3-14052,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnnn4-c4ccccc4)n23)cc1,UXJGZBHAABZQBH-UHFFFAOYSA-N,3,1,0.333,25,39,420.44,2.835,6,0.432,0.72,1.0,0.03347097525872113,0.021211705846069497,0.1588479199506545,0.2160664108011788,0.10739925296415598
EOS-3-14053,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(F)cn5)cn4)n23)cc1,RHIXDNGPUFFMQZ-UHFFFAOYSA-N,3,1,0.45,51,943,471.456,2.506,5,0.38,0.71,1.0,0.5449592214378727,0.3476972106092797,0.20147693783839354,0.11317764375299842,0.3018277534096361
EOS-3-14054,FC(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,JJKREDGLCSZVDZ-UHFFFAOYSA-N,3,1,0.688,27,300,447.405,3.824,5,0.371,0.76,1.0,0.8114848194092249,0.7839849907477212,0.792500514015489,0.6915050373517923,0.7698688403810567
EOS-3-14055,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)cn4)n23)cc1)N1CCOCC1,KHPKOUXSXCQZQA-UHFFFAOYSA-N,3,1,0.437,52,376,481.491,3.527,6,0.387,0.86,1.0,0.05251524912617367,0.02580357754780344,0.056627373038174215,0.1871958741690083,0.0805355184702899
EOS-3-14056,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n(C)n2)n1,ZOPSACLDTVFRJR-UHFFFAOYSA-N,3,1,0.296,99,286,436.443,1.839,6,0.406,0.69,1.0,0.040521554382838734,0.03416489616887122,0.035509903365088066,0.04108697142073881,0.03782083133438421
EOS-3-14057,Cn1nc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,OSGMOCOGBVILKY-UHFFFAOYSA-N,3,1,0.3,98,866,436.443,1.839,6,0.406,0.69,1.0,0.05093893495990679,0.047734905078473035,0.027182852443286956,0.031097937084504146,0.03923865739154273
EOS-3-14058,OCc1ccc(-c2cc(-c3nnc4cncc(CCc5ccsc5)n34)ncn2)cc1F,SIISBFSALHFZLO-UHFFFAOYSA-N,3,1,0.323,85,580,432.484,3.726,5,0.44,0.74,0.038,0.30867486806935784,0.33274792680419435,0.6049191282297307,0.6132804468507984,0.4649055924885203
EOS-3-14059,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)ncn2)nn1,NKGHMODGQYDELS-UHFFFAOYSA-N,3,1,0.303,76,566,433.439,2.501,6,0.412,0.68,0.999,0.015266260023302036,0.01020320745665136,0.12013398670413268,0.13100541429648413,0.06915221712014255
EOS-3-14060,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nn2)c1,DYGCLKFWMJSVJA-UHFFFAOYSA-N,3,1,0.418,53,411,435.81,2.805,5,0.41,0.64,0.709,0.5189586046192859,0.5588890411897746,0.3207028305119594,0.4002638612843534,0.44970358440134334
EOS-3-14061,CCc1nc(-c2cncc3nnc(-c4ccc(-c5cccc(C)n5)nc4)n23)nc(C(F)F)n1,TVQUYRIPNVADCZ-UHFFFAOYSA-N,3,1,0.337,50,243,445.437,3.909,5,0.401,0.72,0.691,0.27636042766088686,0.3189209101500925,0.13432938112535125,0.11065896785689809,0.21006742169830717
EOS-3-14063,NC(=O)c1ccc(-c2nnc3cncc(Cc4nnc(-c5cncc(F)c5)s4)n23)c(F)c1,GKAYVBHUFKFEAE-UHFFFAOYSA-N,3,1,0.373,14,81,450.434,2.673,5,0.436,0.59,0.998,0.1671749708724556,0.2217891165787129,0.24756699335206633,0.2988143376053732,0.23383635460215202
EOS-3-14064,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)cn5)cnn4)n23)nn1,KQQAUXZHVDAKAS-UHFFFAOYSA-N,3,1,0.418,53,587,432.835,2.369,5,0.408,0.65,1.0,0.4937975464327325,0.5537231855253238,0.08655164142279487,0.10841443355493112,0.3106217017339456
EOS-3-14065,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnn(C)n6)n5)n34)nc2)nn1,MAAROZXTAVNDCC-UHFFFAOYSA-N,3,1,0.255,99,813,436.443,1.839,6,0.406,0.65,0.688,0.01880439997258584,0.013150229593585087,0.05108457268179015,0.04358851346720581,0.031656928928791725
EOS-3-14066,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nn4)n23)nc1,BBEWGQASFJRPHI-UHFFFAOYSA-N,3,1,0.25,99,14,436.443,1.839,6,0.406,0.65,0.992,0.041977931601672264,0.02822801727092043,0.04746076348433966,0.04492495373860599,0.04064791652388459
EOS-3-14067,Cn1cncc1-c1cc(F)nc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,LWQICKRBGHCPPR-UHFFFAOYSA-N,3,1,0.438,18,211,434.41,2.882,5,0.379,0.72,0.999,0.5501422109519567,0.357514906449181,0.5764255362894936,0.527028647796587,0.5027778253718046
EOS-3-14068,Cc1cnc(CCOc2cncc3nnc(-c4cccc(-c5nncn5C)c4)n23)c(Cl)n1,NLZLJIBMBNGPJQ-UHFFFAOYSA-N,3,1,0.477,15,931,447.89,2.96,5,0.391,0.69,1.0,0.5138527174285519,0.4896425878966486,0.08656020834761154,0.11318621067781509,0.3008104310876568
EOS-3-14069,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncc(F)c5)ncn4)n23)cc1,JCLVUORFMUHBER-UHFFFAOYSA-N,3,1,0.505,89,675,424.399,3.233,5,0.422,0.71,1.0,0.8663988074840655,0.8611558494962648,0.7497943938043999,0.7191076691110959,0.7991141799739565
EOS-3-14070,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)cn1,DDAQJVZHSFFUIP-UHFFFAOYSA-N,3,1,0.534,35,426,445.433,3.851,5,0.392,0.72,1.0,0.9036906312110204,0.8806541703790007,0.7398481940922487,0.6944434925639092,0.8046591220615448
EOS-3-14071,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnn1,SCFLZTKNZYUCNU-UHFFFAOYSA-N,3,1,0.593,36,659,420.824,2.004,5,0.42,0.74,1.0,0.7521245973545336,0.8202659173463094,0.10090124049071346,0.19000582550887535,0.465824395175108
EOS-3-14072,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cc2)c(F)nn1,ZTTBHPFLWVAKSK-UHFFFAOYSA-N,3,1,0.351,22,856,418.823,3.806,5,0.439,0.76,1.0,0.3433623466520458,0.48498218079638133,0.522693783839353,0.5919573709821122,0.4857489205674731
EOS-3-14073,c1csc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cncs6)nc5)n34)nc2)n1,YKGUSOKVZDEVMD-UHFFFAOYSA-N,3,1,0.311,86,989,441.505,3.89,6,0.405,0.73,1.0,0.10728359947913096,0.1841374820094579,0.10892844904393119,0.1310139812213008,0.13284087793845523
EOS-3-14074,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cn1,GAFWJXCAZLXXAA-UHFFFAOYSA-N,3,1,0.469,58,954,433.863,2.652,5,0.376,0.74,1.0,0.582936399150161,0.6165530121307655,0.12846960455075046,0.16804023027893908,0.373999811527654
EOS-3-14075,Cn1nccc1-c1ccc(Cc2cncc3nnc(-c4cc(F)cc(Cl)c4)n23)cn1,MRZKZPUSDNCIIZ-UHFFFAOYSA-N,3,1,0.411,14,81,419.851,3.97,5,0.44,0.79,0.997,0.23104139538071414,0.32357275032554317,0.7114574052498115,0.7533325337536838,0.5048510211774382
EOS-3-14076,Cc1c(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)ncn1C,IRSXPEGIGJLETG-UHFFFAOYSA-N,3,1,0.527,89,230,457.469,3.317,5,0.419,0.7,1.0,0.6340295387567678,0.35244328695771365,0.5531749023370571,0.39414707696525253,0.4834487012541978
EOS-3-14077,OCc1ccc(CCOc2cncc3nnc(-c4cccnc4-c4cccc(F)c4)n23)cn1,YCCLCLOCPXPMHB-UHFFFAOYSA-N,3,1,0.571,11,201,442.454,3.501,5,0.412,0.75,1.0,0.7220032896991296,0.6496556096223699,0.6168528544993489,0.594904393119046,0.6458540367349735
EOS-3-14078,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)ccc2F)n1,NMVBFZPIRSVFKK-UHFFFAOYSA-N,3,1,0.696,91,70,432.434,4.092,5,0.404,0.75,1.0,0.8294410938249606,0.8549191282297307,0.8368429168665615,0.8164536358028922,0.8344141936810363
EOS-3-14079,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)n5)cn4)n23)nc1,NPXRSSRIAINPHF-UHFFFAOYSA-N,3,1,0.412,33,53,473.884,2.63,5,0.369,0.76,0.996,0.4864728257144815,0.42784079226920707,0.2297220889589473,0.1521485847440203,0.32404607292166404
EOS-3-14080,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nc1C,VCVIKEQOKNXHAX-UHFFFAOYSA-N,3,1,0.607,15,796,423.48,3.882,5,0.409,0.76,1.0,0.6061441984785142,0.43702453567267496,0.22973065588376396,0.1736001644849565,0.36162488862997744
EOS-3-14081,OCc1ccc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4Cl)n23)nc1,UGBDAQYQNIJWDG-UHFFFAOYSA-N,3,1,0.488,90,244,417.803,3.232,4,0.485,0.72,1.0,0.8008361318621068,0.7454680967719828,0.8977109176889864,0.8974710437941197,0.8353715475292989
EOS-3-14082,Cc1ncncc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,YYCZPYBWFAGQFZ-UHFFFAOYSA-N,3,1,0.292,38,983,443.474,4.076,6,0.401,0.72,1.0,0.12597662942910012,0.09063806456034541,0.3842608457268179,0.38158796518401755,0.24561587622507025
EOS-3-14083,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)nn5)n34)cc2)nn1,VDKVYPGSFZHHGC-UHFFFAOYSA-N,3,1,0.322,38,270,443.474,4.076,6,0.401,0.72,1.0,0.08296209992461107,0.10987937769858132,0.32785621273387705,0.3332533753683778,0.2134877664313618
EOS-3-14084,Cc1nc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n(C)n1,DUNBUIRVUUQFBX-UHFFFAOYSA-N,3,1,0.658,43,372,449.877,4.267,5,0.398,0.76,1.0,0.8485624700157631,0.8697656089370159,0.6078318826673977,0.6538105681584538,0.7449926324446576
EOS-3-14085,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ccn4)n23)c1,COKWRUUPTMHJGY-UHFFFAOYSA-N,3,1,0.547,11,159,430.418,4.148,5,0.377,0.8,1.0,0.7035329997943938,0.6352203413062847,0.8350952642039613,0.8362089644301282,0.752514392433692
EOS-3-14086,Cn1nc(-c2nnc3cncc(OCc4cnccn4)n23)cc1-c1ccc(Cl)cc1,NWFJIJJDQMDGQS-UHFFFAOYSA-N,3,1,0.453,95,965,418.848,3.214,5,0.432,0.78,1.0,0.34587245562332947,0.4143821533822219,0.3463436364882462,0.40641491330272084,0.3782532896991296
EOS-3-14087,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nncc(-c5sccc5F)n4)n23)nc1,LXRVXVITVSUOPS-UHFFFAOYSA-N,3,1,0.308,33,432,459.47,2.798,6,0.426,0.65,0.801,0.12041669522308272,0.1712271263107395,0.0342505654170379,0.08457268179014461,0.10261676718525119
EOS-3-14088,FC(F)c1ccc(-c2nnc3cncc(Cc4cnc(CN5CCCC5)nn4)n23)cn1,BRQLHIMTFCXPOM-UHFFFAOYSA-N,3,1,0.357,78,455,423.431,2.496,5,0.467,0.65,0.996,0.08511239805359468,0.10988794462339799,0.003366801452950449,0.028356521143170447,0.056680916318278395
EOS-3-14089,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cc(F)ccn4)n23)cc1,ORGZGJAZYQOPIQ-UHFFFAOYSA-N,3,1,0.294,98,615,450.441,3.245,6,0.402,0.69,1.0,0.21999862929202935,0.2523130697005003,0.3243266397094099,0.37196730861489957,0.2921514118292098
EOS-3-14090,Cc1[nH]cnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4)n23)nc1,ARGWBSKAUSPWAE-UHFFFAOYSA-N,3,1,0.255,70,813,435.455,2.742,6,0.448,0.64,0.951,0.05422863408950723,0.012019395517784935,0.10613563155369748,0.09776574600781303,0.06753735179220068
EOS-3-14091,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C#N)c5)n34)c(F)c2)nn1,BLNZRMZLJFHPKW-UHFFFAOYSA-N,3,1,0.549,72,386,452.453,3.584,5,0.384,0.73,1.0,0.9198478514152559,0.9317473099856076,0.6549585360838873,0.5856692481666781,0.7730557364128572
EOS-3-14092,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)nc1,NFROEBMALQJVPB-UHFFFAOYSA-N,3,1,0.422,7,185,436.386,2.288,5,0.394,0.68,1.0,0.4110239188540881,0.36686998834898227,0.28043828387362074,0.20706257281886095,0.316348690973888
EOS-3-14093,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)c2)n1,HROPNCLSPXDMAI-UHFFFAOYSA-N,3,1,0.33,42,727,432.451,3.106,6,0.418,0.69,1.0,0.08512096497841135,0.077496401891577,0.21892776368994585,0.2509080940305668,0.15811330614762525
EOS-3-14094,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)n1,FOEQNTYMLRRVGS-UHFFFAOYSA-N,3,1,0.313,30,541,432.451,3.106,6,0.418,0.69,1.0,0.07442944280720992,0.07044582276745939,0.11138715646631485,0.16034713179357138,0.10415238845863889
EOS-3-14095,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)nn5)n4)n23)cc1,FKVCYGIIPXCGBK-UHFFFAOYSA-N,3,1,0.46,89,731,475.419,2.255,5,0.393,0.72,1.0,0.6340381056815846,0.4049585360838873,0.3022668083064903,0.21874785826879584,0.3900028270851895
EOS-3-14096,Cn1nc(-c2ccccc2Cl)nc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,LZQHUURHBUYNHI-UHFFFAOYSA-N,3,1,0.39,22,243,438.829,4.24,5,0.417,0.74,0.951,0.1259851963539168,0.40037523130697006,0.5888304434240285,0.6739685422520731,0.44728985333424714
EOS-3-14097,Cn1ccnc1-c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4Cl)n23)ncn1,FGPIKCYTFWYTHA-UHFFFAOYSA-N,3,1,0.365,85,60,445.874,2.325,5,0.439,0.59,0.984,0.12599376327873346,0.18848947981632513,0.18118189294770748,0.17913439791652389,0.16869988348982248
EOS-3-14098,Cc1cn(C)c(-c2ccc(-c3cncc4nnc(-c5cnc(C(C)(C)O)c(F)c5)n34)cn2)n1,AJLPETQYURKCBW-UHFFFAOYSA-N,3,1,0.322,82,974,444.474,3.324,5,0.453,0.67,0.343,0.29578164622027275,0.3377510108971284,0.4094133369885546,0.23633575491741485,0.31982043725584264
EOS-3-14099,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc1,INRQXYHCLJEWAO-UHFFFAOYSA-N,3,1,0.32,38,818,431.463,3.711,6,0.419,0.71,1.0,0.0405301213076554,0.07401823041600987,0.46024946885066137,0.46682886710986227,0.2604066719210472
EOS-3-14100,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccccc4)n23)cn1,CFBUMZRGBHYDIB-UHFFFAOYSA-N,3,1,0.347,64,365,431.463,3.711,6,0.419,0.71,1.0,0.15104345144267015,0.07750496881639367,0.24757556027688302,0.2778939072030704,0.1885044719347543
EOS-3-14102,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cc1,IYEKPSQQONIJRZ-UHFFFAOYSA-N,3,1,0.299,98,620,421.428,2.23,6,0.425,0.71,1.0,0.005842642724967446,0.011162703036118155,0.12573675553423344,0.13534027825371805,0.06952059488725928
EOS-3-14103,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-n6ccnc6)cc5)n34)c2)n1,LTZGXXABYDTIBP-UHFFFAOYSA-N,3,1,0.291,98,899,421.428,2.23,6,0.425,0.71,1.0,0.021751422109519566,0.013158796518401754,0.16834863957233911,0.17914296484134054,0.09560045576040024
EOS-3-14104,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)c1,FDGQFCZSCNFOSD-UHFFFAOYSA-N,3,1,0.412,31,211,433.863,2.652,5,0.376,0.72,1.0,0.45036323761222674,0.3619782742786649,0.19808443561099306,0.19291001302172572,0.3008339901309026
EOS-3-14105,Cn1nnnc1-c1cc(Cl)cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,RXNMPCRWXHJZPI-UHFFFAOYSA-N,3,1,0.667,43,402,453.293,3.868,5,0.399,0.73,1.0,0.8294496607497772,0.8915341648961689,0.569709067233226,0.7112003975053115,0.750473322596121
EOS-3-14106,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ncnn5C)n4)n23)nc1,HQIFDZUMNUBMDR-UHFFFAOYSA-N,3,1,0.412,31,477,431.435,2.446,5,0.403,0.7,0.999,0.5089524364334178,0.38583715989308476,0.07939825920087726,0.07938112535124392,0.26339224521965593
EOS-3-14107,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)cn2)cn1,BDWNNJOTOXSMBB-UHFFFAOYSA-N,3,1,0.478,92,399,443.858,3.086,5,0.406,0.7,1.0,0.5064508943869509,0.7130508532657117,0.6168614214241656,0.5856778150914947,0.6055102460420807
EOS-3-14108,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)cc1CO,XEVNFZCUZOAHJV-UHFFFAOYSA-N,3,1,0.322,96,139,441.426,2.646,5,0.401,0.73,0.998,0.2820917003632376,0.2067798642999109,0.6108131725035981,0.5270372147214036,0.4066804879720376
EOS-3-14109,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1F,IDNBNAFJYRMDDK-UHFFFAOYSA-N,3,1,0.654,91,300,430.418,4.148,5,0.403,0.74,1.0,0.9715064080597628,0.9649955451990954,0.8318055650743609,0.8032948392844904,0.8929005894044274
EOS-3-14110,Cc1cc(COc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)c(F)c(C)n1,RYFRZHRBVQLTQR-UHFFFAOYSA-N,3,1,0.477,16,506,429.459,3.922,5,0.421,0.76,1.0,0.4595212802412446,0.3668785552737989,0.6311681858680008,0.48785210060996503,0.48635503049825235
EOS-3-14111,Cc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)cnn4)n23)n1,PCQICRUBMAJWCQ-UHFFFAOYSA-N,3,1,0.38,53,873,429.419,2.502,5,0.401,0.68,1.0,0.5396305942019053,0.45448392844904395,0.1343379480501679,0.14460112398053596,0.3182633986704133
EOS-3-14112,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c2)nc1,CXBHKZLWEMQWOE-UHFFFAOYSA-N,3,1,0.506,2,491,451.824,4.154,5,0.396,0.74,1.0,0.8597423069015147,0.8518179014460969,0.8463179357137962,0.8677695154547324,0.856411914879035
EOS-3-14113,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)nn2C)c1,HHPHCHZIYQAEGC-UHFFFAOYSA-N,3,1,0.59,95,493,429.459,3.656,5,0.41,0.78,1.0,0.4272582413816736,0.3085120964978411,0.5017305188129669,0.4730484545267631,0.4276373278048112
EOS-3-14114,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)nc1,KBGCUTLCBDJBJU-UHFFFAOYSA-N,3,1,0.5,87,838,430.859,3.313,5,0.404,0.69,1.0,0.6547957645123706,0.7267664998971969,0.40250839558632034,0.4446490987595093,0.5571799396888493
EOS-3-14115,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5ncnn5C)n4)n23)o1,WPUWWCSWCPJZBD-UHFFFAOYSA-N,3,1,0.262,86,953,437.427,2.402,6,0.404,0.67,0.748,0.037446028373654995,0.008644027140017819,0.02010657254471935,0.017373723528202316,0.02089258789664862
EOS-3-14116,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)n5)n34)cc2)n1C,TUXKDWROHBXBKQ-UHFFFAOYSA-N,3,1,0.318,3,783,451.469,3.887,6,0.404,0.69,1.0,0.049328353094373244,0.2271691453635803,0.4165752861352889,0.41932526900143924,0.2780995133986704
EOS-3-14117,COc1c(C)cccc1-c1cnc(COc2cncc3nnc(-c4ccc(C)nc4)n23)nc1,PRCMIZRVDBTMGH-UHFFFAOYSA-N,3,1,0.489,89,205,439.479,3.848,5,0.393,0.76,1.0,0.45952984716606127,0.3189294770749092,0.38791892262353506,0.2160749777259955,0.3456133061476253
EOS-3-14118,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cc1,JSSHJQYIEFNDPV-UHFFFAOYSA-N,3,1,0.294,42,369,435.451,3.787,6,0.402,0.73,1.0,0.19805016791172642,0.10333424713864711,0.2804468507984374,0.259877664313618,0.21042723254060725
EOS-3-14119,Fc1cccc(-c2nnc3cncc(OCc4nnc(-c5ccc(F)nc5)s4)n23)c1,AVQYBTAHQOXNPB-UHFFFAOYSA-N,3,1,0.54,4,534,423.408,3.562,5,0.399,0.8,1.0,0.5271143170447536,0.6446610924542526,0.41283153999040506,0.5003940785415667,0.5212502570077445
EOS-3-14120,COCCNC(=O)c1cc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)ncn1,DPFIIJGFYOFSQT-UHFFFAOYSA-N,3,1,0.479,63,536,435.444,1.029,4,0.369,0.84,0.999,0.42487663628264,0.08102597491604413,0.10893701596874786,0.0489942430265232,0.1659584675484888
EOS-3-14121,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)n2)o1,SNKOTVQXPOKHKQ-UHFFFAOYSA-N,3,1,0.333,38,865,435.451,3.612,6,0.413,0.68,1.0,0.13960660681241863,0.0552737989171407,0.14963847577273662,0.1376704818038517,0.1205473408265369
EOS-3-14122,CCNC(=O)c1ccc(-c2nnc3cncc(COCc4cccc(-c5cnn(C)n5)c4)n23)cc1,FAYMEMKDEWEMAR-UHFFFAOYSA-N,3,1,0.455,52,637,468.521,3.053,5,0.372,0.74,1.0,0.2633986704132685,0.08770817627304503,0.2618994585703516,0.1446096909053526,0.18940399904050442
EOS-3-14123,N#Cc1ccc(-c2nnc3cncc(-c4cncc(OCc5cccc(Cl)c5)c4)n23)cn1,SZVVIXPDYHMENE-UHFFFAOYSA-N,3,1,0.375,96,204,439.866,4.352,5,0.401,0.77,0.999,0.5449677883626893,0.6740456445754232,0.8718216708930162,0.8739719690219999,0.7412017682132822
EOS-3-14124,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c1F,TYLLLWYNRXRPTJ-UHFFFAOYSA-N,3,1,0.43,18,262,432.394,2.938,5,0.403,0.68,1.0,0.7431464601466657,0.7267750668220135,0.4061407717085875,0.41302001233637176,0.5722705777534096
EOS-3-14125,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)s1,QYNBLWSJMVMYHO-UHFFFAOYSA-N,3,1,0.484,4,205,445.468,2.086,5,0.415,0.66,1.0,0.2985144952367898,0.1884980467411418,0.03686347748612158,0.016791172640668907,0.1351667980261805
EOS-3-14126,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(C#N)n5)cn4)n23)cn1,ZQERUYWZJDXJRV-UHFFFAOYSA-N,3,1,0.489,4,205,420.436,3.402,5,0.425,0.78,1.0,0.6144027140017819,0.6116270303611816,0.5227023507641697,0.4193338359262559,0.5420164827633472
EOS-3-14127,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccn6)n5)n34)cn2)nc1,DLZUASNSOIRNHW-UHFFFAOYSA-N,3,1,0.323,10,952,437.402,2.425,6,0.409,0.66,0.993,0.02967582756493729,0.16325988623123844,0.10090980741553011,0.16546158590912205,0.11482677678020697
EOS-3-14128,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)cn5)n4)n23)cn1,VWJTUWIDOZGUAA-UHFFFAOYSA-N,3,1,0.5,4,390,430.859,3.579,5,0.416,0.7,1.0,0.6227897333972997,0.7584726886436844,0.3243352066342266,0.3268881502295936,0.5081214447262011
EOS-3-14129,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nn5)cn4)n23)cn1,WPDNVRQYHKQZNO-UHFFFAOYSA-N,3,1,0.512,4,205,430.859,3.579,5,0.416,0.7,1.0,0.5551795627441574,0.6692310328284559,0.4426016037283257,0.40642348022753755,0.5183589198821191
EOS-3-14130,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,OKCIKACRNCCVKL-UHFFFAOYSA-N,3,1,0.458,89,398,478.516,3.423,6,0.378,0.86,1.0,0.3734065519840998,0.12955760400246727,0.11738400383798232,0.10198923994243027,0.1805843499417449
EOS-3-14131,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cc(F)ccc5F)n4)n23)nc1,IMZLOJSDAAFXRC-UHFFFAOYSA-N,3,1,0.292,10,952,457.408,2.508,6,0.396,0.67,0.398,0.013715646631485163,0.18850661366595847,0.24050784730313207,0.32689671715441027,0.1924067061887465
EOS-3-14132,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)o1,CDUMXJCKVZNLRU-UHFFFAOYSA-N,3,1,0.26,76,301,435.451,3.787,6,0.402,0.75,0.999,0.04053868823247207,0.04410252895620588,0.0842814063463779,0.15215715166883695,0.0802699438009732
EOS-3-14133,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ncnc(-c5cccc(F)c5)n4)n23)cc1,IRLHHEHPNPWOSS-UHFFFAOYSA-N,3,1,0.44,67,789,466.44,3.37,6,0.376,0.77,1.0,0.6061527654033309,0.5307124254677541,0.2914382153382222,0.2807381262422041,0.42726038311287784
EOS-3-14134,Fc1cnc(-c2nnc3cncc(Cc4cc(C(F)(F)F)nc(C(F)F)n4)n23)nc1,CBLXEAUCXCGTDE-UHFFFAOYSA-N,3,1,0.309,68,455,426.284,3.058,4,0.463,0.63,0.221,0.3872164347885683,0.4189654581591392,0.8690288534027826,0.7507795901583167,0.6064975841272018
EOS-3-14135,c1ccn2c(CCOc3cncc4nnc(-c5cc(-c6ccncc6)ncn5)n34)cnc2c1,WVFNRRXUXYLYRS-UHFFFAOYSA-N,3,1,0.389,18,194,435.451,2.913,6,0.393,0.68,1.0,0.3503786580768967,0.1757761633883901,0.20514358165992735,0.2243420601740799,0.2389101158248235
EOS-3-14136,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)cn1,RLXZEXBSAQWQRT-UHFFFAOYSA-N,3,1,0.422,89,943,479.504,2.818,6,0.374,0.86,1.0,0.38940956754163525,0.14401857309300253,0.10360838873278048,0.08108594338976081,0.17953061818929475
EOS-3-14137,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccn6)n5)n34)cn2)cn1,FOHYGXXQEUTBPA-UHFFFAOYSA-N,3,1,0.304,10,952,437.402,2.425,6,0.382,0.7,0.945,0.018812966897402507,0.15570385854293742,0.12847817147556714,0.190014392433692,0.12325234733739976
EOS-3-14138,Cc1cc(-c2ncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nn2)ccn1,LZZRAJVVXRQHDQ-UHFFFAOYSA-N,3,1,0.473,89,398,479.504,2.818,6,0.374,0.85,1.0,0.34337091357686245,0.09383352751696251,0.0645089438695086,0.061561921732574874,0.1408188266739771
EOS-3-14139,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)noc5C)cc4OC)n23)cc1F,DPAMSEHKSUNFLB-UHFFFAOYSA-N,3,1,0.339,62,648,472.48,4.237,5,0.408,0.84,1.0,0.47912240422178054,0.4233774244397231,0.5395791926530052,0.3460694948941128,0.4470371290521554
EOS-3-14140,Fc1ccc(-c2nnccc2-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)cc1,PIKRKGXHACJLDH-UHFFFAOYSA-N,3,1,0.311,3,118,453.416,3.774,6,0.401,0.7,0.956,0.032108834212870946,0.24224693304091563,0.5465526694537729,0.6739771091768899,0.3737213864711123
EOS-3-14141,Cn1ncc(-c2cccc(-c3nnc4cncc(COCc5ccc(F)c(F)c5)n34)c2)cc1=O,HAVORWPOYFZGFX-UHFFFAOYSA-N,3,1,0.604,14,470,460.444,3.547,5,0.385,0.74,1.0,0.48143547392228087,0.45871598930847785,0.8351038311287781,0.8164622027277089,0.6479293742718114
EOS-3-14142,Fc1cc(-c2ncnc(-c3cncc4nnc(-c5ocnc5-c5ccncc5)n34)n2)ccn1,HLIGUIJGVJKVQV-UHFFFAOYSA-N,3,1,0.368,86,136,438.386,2.894,6,0.378,0.71,1.0,0.18676752792817491,0.2368840381056816,0.17503940785415667,0.21323075868686175,0.20298043314371872
EOS-3-14143,Fc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)nc1,KVRDNULSANDKPU-UHFFFAOYSA-N,3,1,0.613,73,863,452.812,3.549,5,0.399,0.69,1.0,0.9804502775683641,0.9779144678226304,0.6284267699266671,0.6885494482900418,0.8188352409019259
EOS-3-14144,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cn1,XZYIWZXVYPVGCU-UHFFFAOYSA-N,3,1,0.462,2,422,431.406,3.809,5,0.418,0.72,1.0,0.7492204098416833,0.6789630594201905,0.8013929819751902,0.7507881570831334,0.7450911520800494
EOS-3-14145,Cn1cc(-n2nnc(-c3cncc4nnc(-c5scnc5-c5cccc(F)c5)n34)n2)cn1,PPSOWAVAGXODFS-UHFFFAOYSA-N,3,1,0.33,99,952,445.447,2.43,6,0.406,0.64,1.0,0.00304982523473374,0.05136728120074018,0.04114693989445549,0.09189740250839559,0.04686536220958125
EOS-3-14146,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cn1,OTXAVDNETGDEJQ-UHFFFAOYSA-N,3,1,0.5,55,939,433.834,4.015,5,0.386,0.74,1.0,0.855193269823864,0.792551915564389,0.7970067164690563,0.8033034062093071,0.8120138270166541
EOS-3-14147,FC(F)(F)c1cncc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,KFKSZBNKTKFJBW-UHFFFAOYSA-N,3,1,0.506,72,676,449.396,4.241,5,0.396,0.76,1.0,0.9068518264683709,0.7267836337468302,0.9691162360359126,0.9254420533205401,0.8820484373929134
EOS-3-14148,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)n1,QHGKLSSKOFXVJZ-UHFFFAOYSA-N,3,1,0.293,30,301,432.447,4.274,6,0.406,0.79,1.0,0.14249366047563566,0.10989651154821466,0.2879172092385717,0.32054005894044274,0.21521186005071619
EOS-3-14149,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)nc1)N1CCC(O)C1,JVNOQCKZAARDKG-UHFFFAOYSA-N,3,1,0.323,52,821,464.489,2.517,6,0.431,0.68,0.962,0.01790487286683572,0.002784250565417038,0.03833698855458845,0.10411383729696388,0.040784987320951274
EOS-3-14150,Cn1ncc(-c2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2C)n1,JOJVSKKDTVUQPL-UHFFFAOYSA-N,3,1,0.303,8,342,436.443,1.839,6,0.406,0.67,0.828,0.05598485367692413,0.02581214447262011,0.011325474607634844,0.016799739565485573,0.027480553080666163
EOS-3-14151,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ncn4)n23)cc1,SUHQBHLGAFCYLS-UHFFFAOYSA-N,3,1,0.612,44,198,428.883,4.523,5,0.395,0.82,0.996,0.8318998012473443,0.7839935576725379,0.6608611472825714,0.7269635391679803,0.7509295113426084
EOS-3-14152,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4Oc4ccccc4)n23)nc1,IOBKBPSEXNUDCD-UHFFFAOYSA-N,3,1,0.38,76,387,449.438,2.626,6,0.386,0.69,1.0,0.16456205880337194,0.09692618737577958,0.04261188403810568,0.055667877458707424,0.08994200191899115
EOS-3-14153,FCc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,QDNMLKWNVRAMNA-UHFFFAOYSA-N,3,1,0.506,20,846,428.431,3.129,5,0.389,0.7,1.0,0.6227983003221164,0.6067267493660475,0.26539476389555205,0.244971215132616,0.434972757179083
EOS-3-14154,Fc1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)cn1,JLTWHLIUTFIMFZ-UHFFFAOYSA-N,3,1,0.568,34,32,423.795,3.608,5,0.395,0.78,1.0,0.8369285861147283,0.9214584332807896,0.5051915564389007,0.5977743129326297,0.7153382221917621
EOS-3-14155,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cc(F)ccc5F)c4)n23)cc1,XSVIQESKACYLPX-UHFFFAOYSA-N,3,1,0.378,83,3,441.441,4.763,5,0.436,0.76,1.0,0.354884860530464,0.3668871221986156,0.915101775066822,0.8974796107189363,0.6335883421287095
EOS-3-14156,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cc1Cl,LQKZMYKYFKIDOS-UHFFFAOYSA-N,3,1,0.578,4,610,436.838,3.353,5,0.417,0.66,1.0,0.4914587759577822,0.6496641765471867,0.5395877595778219,0.5856863820163114,0.5665992735247756
EOS-3-14157,Fc1cccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c1,UERGCMMXVIRYDQ-UHFFFAOYSA-N,3,1,0.357,30,543,447.437,3.906,6,0.4,0.69,0.886,0.220007196216846,0.3085206634226578,0.4242598176958399,0.5270457816462203,0.369958364745391
EOS-3-14158,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)ccn2)nc1,URDSFGKKRPWZST-UHFFFAOYSA-N,3,1,0.566,24,805,428.427,3.459,5,0.442,0.73,1.0,0.8191779178945926,0.654890000685354,0.777542663285587,0.7243163593996299,0.7439817353162909
EOS-3-14159,COc1c(Cc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)ccc(Br)c1Cl,GVRGOZUKCXEDMQ-UHFFFAOYSA-N,3,1,0.402,90,505,473.718,3.301,4,0.476,0.63,0.865,0.42248646425878966,0.3905746693167021,0.4982180796381331,0.44465766568432596,0.4389842197244877
EOS-3-14160,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)cc1F,DDCWURCWLZCKBT-UHFFFAOYSA-N,3,1,0.269,22,952,444.369,1.892,6,0.431,0.65,0.996,0.07644267013912685,0.252321636625317,0.18771845658282502,0.27790247412788704,0.19859630936878897
EOS-3-14161,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cnn(C)c4-c4ccc(F)cc4)n23)cn1,ZCZJDTOMBAGHMN-UHFFFAOYSA-N,3,1,0.359,98,572,451.469,3.793,6,0.405,0.72,1.0,0.14502947022136933,0.26251627715715165,0.460258035775478,0.4786854910561305,0.3366223185525324
EOS-3-14162,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5n[nH]c(-c6ccccc6F)n5)n34)cn2)n1,HKAKCHOGZOEXCR-UHFFFAOYSA-N,3,1,0.318,98,952,440.406,1.968,6,0.435,0.66,0.992,0.1510520183674868,0.33275649372901106,0.060551024604208074,0.10842300047974779,0.1631956342951134
EOS-3-14163,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,WUHPISMQRYMCLP-UHFFFAOYSA-N,3,1,0.354,69,834,434.438,4.445,6,0.44,0.74,1.0,0.30092180111027345,0.39519224179288603,0.6686656157905558,0.7191162360359126,0.5209739736824069
EOS-3-14164,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nn3)n12,RYOJHWURKPWIAP-UHFFFAOYSA-N,3,1,0.31,98,866,463.465,2.509,6,0.375,0.72,0.999,0.07645123706394352,0.021220272770886162,0.11739257076279899,0.11319477760263176,0.0820647145500651
EOS-3-14166,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5F)n34)cn2)cn1,UNJZQAVFDHFXAE-UHFFFAOYSA-N,3,1,0.317,98,314,452.457,3.188,6,0.405,0.67,1.0,0.16457062572818862,0.2778168048797204,0.41658385306010554,0.3913456925502022,0.3125792440545542
EOS-3-14167,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)ncn1,SYXYJEAVNXNWSL-UHFFFAOYSA-N,3,1,0.324,98,882,435.455,2.444,6,0.414,0.65,1.0,0.04933692001918991,0.013167363443218422,0.10361695565759715,0.08989274210129532,0.0640034953053252
EOS-3-14168,CCOc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3Cl)n12,MOSFDJYEXLIEEW-UHFFFAOYSA-N,3,1,0.392,61,917,475.9,2.8,5,0.395,0.8,0.887,0.32647693783839354,0.37650777876773356,0.24051641422794873,0.2187564251936125,0.2905643890069221
EOS-3-14170,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cncn1C,GRYWVXJPMRVFPY-UHFFFAOYSA-N,3,1,0.484,20,658,428.456,2.612,5,0.39,0.69,1.0,0.42488520320745665,0.1477537523130697,0.2654033308203687,0.15216571859365363,0.2475520012336372
EOS-3-14171,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)nc(C)n2)cn1,PPFBWGBXPCYVRP-UHFFFAOYSA-N,3,1,0.435,44,500,442.458,3.682,5,0.406,0.73,1.0,0.5244585703515866,0.4544924953738606,0.3278647796586937,0.23050167911726407,0.38432938112535125
EOS-3-14172,Fc1ccc(Cc2cncc3nnc(-c4cc(F)c(-c5nc[nH]n5)cc4F)n23)cc1Cl,IRNGBMQHIVTXSJ-UHFFFAOYSA-N,3,1,0.357,45,358,441.804,4.238,5,0.451,0.69,1.0,0.382581728462751,0.5444966074977726,0.9431841546158591,0.9608405866630114,0.7077757693098485
EOS-3-14173,Fc1ccccc1-c1nccnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,PLBCPQSVTWOMEY-UHFFFAOYSA-N,3,1,0.378,64,327,447.437,3.906,6,0.4,0.7,1.0,0.3238554588444932,0.4233859913645398,0.44261017065314234,0.507221917620451,0.42426838462065664
EOS-3-14174,Fc1cc(-c2cccnn2)cnc1-c1nnc2cncc(-c3ccc(-c4ccccn4)cn3)n12,LCOBFCKYHGLOCJ-UHFFFAOYSA-N,3,1,0.309,32,687,447.437,3.906,6,0.4,0.7,1.0,0.26603728325680215,0.36689568912343223,0.4390805976286752,0.4878606675347817,0.3899685593859228
EOS-3-14175,Cc1nn(C)cc1COc1cncc2nnc(-c3cc(-c4ccc(F)c(F)c4)cnn3)n12,YLJWVRKPFACWFL-UHFFFAOYSA-N,3,1,0.449,53,207,434.41,3.147,5,0.419,0.69,1.0,0.38259029538756767,0.4003837982317867,0.5628812281543417,0.5442310328284559,0.47252158865053795
EOS-3-14176,Cn1cc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccnc(Cl)c6)nc5)n34)cn2)cn1,QHAXARCCPWKPPW-UHFFFAOYSA-N,3,1,0.306,86,780,455.873,2.883,6,0.372,0.73,1.0,0.007341854567884313,0.0810345418408608,0.28421629771777124,0.3082293879788911,0.17020552052635185
EOS-3-14177,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cnn1,QASJMCGZOXJZMO-UHFFFAOYSA-N,3,1,0.273,99,112,435.415,1.291,6,0.394,0.66,0.928,0.06657357275032555,0.04411109588102255,0.029427386745253924,0.03984476732232198,0.044989205674731
EOS-3-14178,Cn1ccnc1-c1ncccc1-c1nnc2cncc(Cc3ccc(-c4cncnn4)nc3)n12,CEFHTYHREZFBPB-UHFFFAOYSA-N,3,1,0.271,86,812,447.466,2.425,6,0.392,0.72,0.952,0.07261325474607634,0.017485093550818998,0.09352511822356246,0.09381639366732918,0.06935996504694675
EOS-3-14179,Cn1cccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cn4)n23)nn1,UBJQXZSLAWDTLB-UHFFFAOYSA-N,3,1,0.281,99,14,435.455,2.444,6,0.414,0.64,0.991,0.05769823864025769,0.040521554382838734,0.10091837434034678,0.10199780686724694,0.07528399355767254
EOS-3-14180,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)cn5)n34)nc2)n1,FYOSESORRGVGGM-UHFFFAOYSA-N,3,1,0.253,70,813,435.455,2.444,6,0.414,0.64,1.0,0.012062230141868274,0.025820711397436778,0.14964704269755327,0.12882084846823386,0.07908770817627304
EOS-3-14181,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cn5)n34)nc2)cn1,RLXFWJRQIWIBLK-UHFFFAOYSA-N,3,1,0.258,70,652,435.455,2.444,6,0.414,0.64,1.0,0.04054725515728874,0.0282365841957371,0.14346172297991913,0.12242135563018298,0.083666729490782
EOS-3-14182,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)[nH]4)n23)cn1,JALVKOBRCJPXLM-UHFFFAOYSA-N,3,1,0.33,98,407,439.418,2.573,6,0.444,0.64,0.862,0.17525358097457336,0.2676735658967857,0.16512747584127202,0.24497978205743268,0.21325860119251594
EOS-3-14183,Cc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(F)c(F)c5)s4)n23)cn1,XJBINLVKYRGLBM-UHFFFAOYSA-N,3,1,0.522,4,534,437.435,3.87,5,0.412,0.76,1.0,0.670464670002056,0.722174628195463,0.47755465698033034,0.49707867863751626,0.5918181584538414
EOS-3-14184,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cscn5)ncn4)n23)nc1,IGOQXIFKBKRWCB-UHFFFAOYSA-N,3,1,0.462,18,481,436.888,3.375,5,0.399,0.72,0.919,0.5271228839695703,0.5081214447262011,0.20859605236104448,0.26293605647316837,0.3766941093824961
EOS-3-14185,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5cscn5)ccn4)n23)n1,HQNGLGHZLFLAQH-UHFFFAOYSA-N,3,1,0.429,18,181,436.888,3.375,5,0.399,0.72,1.0,0.4550579124117607,0.47645809060379685,0.18119045987252416,0.2363443218422315,0.3372626961825783
EOS-3-14186,N#Cc1cc(-c2nnc3cncc(OCCc4cccc(F)c4Cl)n23)ccc1Cl,POEKKCRTFKIDFP-UHFFFAOYSA-N,3,1,0.701,23,86,428.254,4.73,4,0.46,0.75,1.0,0.9914759098074155,0.9964190254266329,0.977845932424097,0.9863614556918648,0.9880255808375025
EOS-3-14187,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)s4)n23)cc1,DCVJXGFKCJQADW-UHFFFAOYSA-N,3,1,0.348,98,882,440.496,3.111,6,0.415,0.66,1.0,0.05770680556507436,0.09384209444177918,0.07734219724487698,0.07938969227606059,0.07707019738194779
EOS-3-14189,Fc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ncc(Cl)cn5)c4)n23)nc1,WXKIQHSVWKPQAL-UHFFFAOYSA-N,3,1,0.477,73,665,451.824,4.154,5,0.396,0.7,1.0,0.8552018367486807,0.8164964704269755,0.797015283393873,0.8281560551024604,0.8242174114179973
EOS-3-14191,Cn1cc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)n2)cn1,LGTVAJLIBNEESE-UHFFFAOYSA-N,3,1,0.302,39,527,440.406,1.764,6,0.402,0.66,0.961,0.010537317524501405,0.10334281406346378,0.04412822973065588,0.08990130902611199,0.06197741758618326
EOS-3-14192,CCn1cc(-c2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)c(-c2cnccn2)n1,NRWINMLDLXGVQA-UHFFFAOYSA-N,3,1,0.337,82,974,426.444,1.886,5,0.451,0.65,0.999,0.05252381605099034,0.05914604893427455,0.030472551572887398,0.013886985127818519,0.039007350421492705
EOS-3-14193,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)c(F)c1,JDEGQJPYICRNBL-UHFFFAOYSA-N,3,1,0.511,26,563,433.422,3.487,5,0.408,0.68,1.0,0.8165393050510589,0.6838462065656912,0.6987954903707765,0.6624888629977383,0.7154174662463162
EOS-3-14194,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cn2)nn1,HBMNZWRIUWMGLW-UHFFFAOYSA-N,3,1,0.256,86,953,446.438,2.261,6,0.393,0.64,1.0,0.08757110547597834,0.023464807072853127,0.04262045096292235,0.052797957645123704,0.051613580289219384
EOS-3-14195,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)nc2)n1C,MSECXMOPMNMOHZ-UHFFFAOYSA-N,3,1,0.257,86,312,435.455,2.538,6,0.415,0.67,1.0,0.006759303680350901,0.010211774381468029,0.12014255362894935,0.1020063737920636,0.05978000137070798
EOS-3-14196,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4Cl)n23)cc1,WXBKAATXXOUSRS-UHFFFAOYSA-N,3,1,0.355,67,642,468.912,3.703,6,0.388,0.75,1.0,0.17823487081077377,0.2830511959427044,0.3541738057706806,0.4064320471523542,0.30547297991912825
EOS-3-14197,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1,GXRHLPZPGNHHOA-UHFFFAOYSA-N,3,1,0.297,64,543,430.435,3.162,6,0.415,0.67,0.996,0.06131348091289151,0.025829278322253443,0.17156123637858955,0.24498834898224933,0.12592308614899594
EOS-3-14198,Fc1cc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)ccc1-c1ncc[nH]1,VHPSNQXFTFDSQD-UHFFFAOYSA-N,3,1,0.315,10,39,423.415,3.568,6,0.465,0.7,1.0,0.027431293262970325,0.17123569323555615,0.49822664656294974,0.5668477143444589,0.3159353368514838
EOS-3-14199,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)n5)nn4)n23)cc1,FXECBKSZQXWZPS-UHFFFAOYSA-N,3,1,0.347,98,882,439.418,2.369,6,0.384,0.68,1.0,0.017039613460352272,0.12956617092728395,0.16835720649715577,0.20106572544719348,0.12900717908299636
EOS-3-14200,Cn1nccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)ncn1,PZSUQMZDISLFNK-UHFFFAOYSA-N,3,1,0.268,70,957,432.451,3.106,6,0.418,0.7,1.0,0.032117401137687615,0.014520937564251936,0.27692584469878695,0.2661572202042355,0.14743035090124051
EOS-3-14201,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)cn4)n23)n(C)n1,VCICIMZGWYCACP-UHFFFAOYSA-N,3,1,0.391,7,662,433.863,2.918,5,0.416,0.71,1.0,0.39158556644506887,0.41897402508395587,0.1343465149749846,0.12471729148104996,0.26740584949626484
EOS-3-14202,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nnccc4F)n23)cc1Cl,HUQPKZBBJRSJOG-UHFFFAOYSA-N,3,1,0.477,36,353,436.838,3.353,5,0.417,0.68,1.0,0.577265094921527,0.6740542115002399,0.5162171886779522,0.5572356247001576,0.5811930299499692
EOS-3-14203,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ncn1,HENUVLFRJNOBEU-UHFFFAOYSA-N,3,1,0.542,46,488,436.838,3.353,5,0.417,0.68,0.978,0.6548043314371873,0.5398876019464053,0.6660784044959221,0.6681944349256391,0.6322411932012885
EOS-3-14204,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnn6)ncn5)n34)cn2)c1,NQTUTEKIQINZHH-UHFFFAOYSA-N,3,1,0.261,86,566,445.45,2.866,6,0.399,0.68,0.999,0.1097251730518813,0.07045438969227606,0.2405249811527654,0.23051024604208073,0.16280369748475088
EOS-3-14205,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)c(F)c5)n34)nc2)c1,HYRRCRNMWFFCQA-UHFFFAOYSA-N,3,1,0.329,98,314,452.457,3.188,6,0.405,0.68,1.0,0.21732574874922897,0.35752347337399765,0.38426941265163456,0.36875471180864916,0.3319683366458776
EOS-3-14206,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)nn4)n23)cc1,KKDOHEXPJSSLDE-UHFFFAOYSA-N,3,1,0.388,66,999,411.372,2.599,4,0.52,0.8,1.0,0.5501507778767734,0.4189825920087725,0.49823521348776645,0.35894558289356454,0.45657854156671923
EOS-3-14207,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccc4F)cc3F)n12,ZOKXKDGDAASDOW-UHFFFAOYSA-N,3,1,0.553,88,161,448.408,4.287,5,0.386,0.78,1.0,0.9542868891782605,0.9563001165101775,0.8939586046192859,0.8933931875813858,0.9244846994722774
EOS-3-14208,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1,AJQXJQQHYHLQNQ-UHFFFAOYSA-N,3,1,0.605,27,412,435.394,3.981,5,0.398,0.78,1.0,0.7639212528270852,0.7584812555685011,0.7925090809403057,0.6858508669727914,0.7501906140771708
EOS-3-14209,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(C(F)(F)F)n5)n34)c2)cn1,LGSCMVHFXYDLJY-UHFFFAOYSA-N,3,1,0.518,27,506,451.412,4.185,5,0.399,0.76,1.0,0.4432612569392091,0.48965115482146526,0.9368531971763416,0.8321910766911109,0.6754891714070317
EOS-3-14210,c1cncc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)c1,QVRBFIBIENOWTB-UHFFFAOYSA-N,3,1,0.257,94,165,430.435,3.162,6,0.415,0.68,0.958,0.07645980398876019,0.06303543280104174,0.1877270235076417,0.2305188129668974,0.13943526831608527
EOS-3-14211,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)nc2)cn1,JIEKJMABCXNFQS-UHFFFAOYSA-N,3,1,0.26,94,165,430.435,3.162,6,0.415,0.68,0.999,0.06863820163114248,0.07751353574121034,0.35418237269549724,0.3493163593996299,0.21241261736686998
EOS-3-14212,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ncn2)ccc1F,CUJUDLOYKXXYEG-UHFFFAOYSA-N,3,1,0.467,44,130,427.443,3.712,5,0.408,0.76,1.0,0.7125968062504283,0.5830306353231444,0.5984339661435131,0.5602083476115414,0.6135674388321568
EOS-3-14213,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCc5ccc(F)c(CF)n5)cn4)n23)cn1,QJUCPLDUICTZEO-UHFFFAOYSA-N,3,1,0.36,82,776,472.459,3.49,5,0.403,0.73,0.998,0.3034918785552738,0.33775957782194505,0.37682475498595025,0.2896819957508053,0.3269395517784936
EOS-3-14214,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,ZRPICXYYBKDTIP-UHFFFAOYSA-N,3,1,0.518,36,728,438.814,2.143,5,0.406,0.69,1.0,0.5975001713384963,0.779632992940854,0.18773559043245835,0.292603317113289,0.46436801795627447
EOS-3-14215,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)c5)c4)n23)n1,XSQDVKJNAOVTSR-UHFFFAOYSA-N,3,1,0.5,37,394,430.447,3.051,5,0.408,0.73,1.0,0.6671835377972722,0.6301401548900006,0.402516962511137,0.3300579124117607,0.5074746419025427
EOS-3-14216,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nn2C)cn1,KLLHWVFVOOIOPD-UHFFFAOYSA-N,3,1,0.539,95,493,430.447,3.051,5,0.408,0.73,1.0,0.4132341854567884,0.26768213282160236,0.3317284627510109,0.3018641628401069,0.32862723596737714
EOS-3-14217,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(Cl)nn5)s4)n23)cn1,YUOLSCOABOIUGA-UHFFFAOYSA-N,3,1,0.457,4,205,465.886,2.431,5,0.399,0.72,1.0,0.40018675896100336,0.4370331025974916,0.06255568501130834,0.06627373038174217,0.24151231923788635
EOS-3-14218,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)cc1,WEUVJQHXRXJPTO-UHFFFAOYSA-N,3,1,0.35,74,333,410.441,2.613,5,0.489,0.86,1.0,0.09490439311904598,0.0477434720032897,0.3541909396203139,0.21876499211842917,0.1789009492152697
EOS-3-14219,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cnc(F)cn5)c4)n23)nc1,TXJVIYXHHFAHLE-UHFFFAOYSA-N,3,1,0.44,46,348,431.406,3.809,5,0.418,0.68,1.0,0.7461620176821329,0.6165615790555822,0.7398567610170653,0.6915136042766089,0.6985234905078473
EOS-3-14220,COc1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)cc1-c1cn(C)cn1,FHGHGRUEMFTSOA-UHFFFAOYSA-N,3,1,0.551,43,521,448.433,4.058,5,0.39,0.76,1.0,0.8114933863340416,0.6838547734905078,0.8758566924816668,0.7875059968473717,0.789677712288397
EOS-3-14222,COc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cnn(-c4ccnc(F)c4)c3)n12,CISZOJBRHNZWHG-UHFFFAOYSA-N,3,1,0.355,74,246,430.403,2.286,5,0.424,0.65,0.988,0.0972688643684463,0.25233020355013364,0.4602666027002947,0.3205486258652594,0.2826035741210335
EOS-3-14223,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)nc5)nn4)n23)cc1,PYIHNDAPNDQVEG-UHFFFAOYSA-N,3,1,0.333,74,997,456.857,2.341,5,0.314,0.83,1.0,0.02968439448975396,0.12620793639915015,0.34635220341306283,0.33972140360496195,0.21049148447673222
EOS-3-14224,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)n(C)n1,UALBXOOFRPUMJX-UHFFFAOYSA-N,3,1,0.33,38,193,445.49,4.019,6,0.404,0.72,1.0,0.0809317387430608,0.0630439997258584,0.21893633061476253,0.23052737989171407,0.14835986224384895
EOS-3-14225,c1cncc(-c2nccnc2-c2nnc3cncc(-c4cnnc(-c5cncnc5)n4)n23)c1,JXRUVDCSCBAPAQ-UHFFFAOYSA-N,3,1,0.235,86,953,432.411,1.952,6,0.402,0.67,0.895,0.06864676855595915,0.03417346309368789,0.05294359536700706,0.08109451031457748,0.05921458433280789
EOS-3-14226,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)cn1,NXEPALYVQQXVDI-UHFFFAOYSA-N,3,1,0.301,70,812,438.48,3.167,6,0.412,0.69,0.998,0.0595058597765746,0.05137584812555685,0.1434702899047358,0.14715406757590296,0.10037651634569256
EOS-3-14227,Fc1cc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ccc4Cl)n23)ccn1,RPVCHJPBYYXUJL-UHFFFAOYSA-N,3,1,0.489,72,433,433.834,4.015,5,0.386,0.75,1.0,0.8061733260228908,0.827933315057227,0.8260400246727435,0.8382307586868618,0.8245943561099309
EOS-3-14228,Fc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,LAVFLJSWNMWNJQ-UHFFFAOYSA-N,3,1,0.575,97,534,433.834,4.015,5,0.386,0.75,1.0,0.8219964361592763,0.9446062641354259,0.7904958536083887,0.822184908505243,0.8448208656020835
EOS-3-14229,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)nn2)nc1,PVQQTCIZTRYPHK-UHFFFAOYSA-N,3,1,0.577,54,691,451.824,4.154,5,0.396,0.72,0.989,0.8789750531149338,0.8314543211568776,0.8334247138647112,0.8695000342676993,0.8533385306010555
EOS-3-14230,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)nn1,YPNYFMKKTNXTQV-UHFFFAOYSA-N,3,1,0.554,16,391,420.383,2.839,5,0.431,0.72,1.0,0.579946542389144,0.5678671783976423,0.6851483791378247,0.6538191350832705,0.6216953087519703
EOS-3-14231,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5noc(C)n5)n4)n23)cc1,HTZYJGYDRFDUOJ-UHFFFAOYSA-N,3,1,0.451,89,731,474.456,3.013,5,0.378,0.8,1.0,0.4963761908025495,0.404967103008704,0.11434274552806524,0.06302686587622507,0.26967822630388594
EOS-3-14232,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nn2)cn1,ARWQZAWWILCAOZ-UHFFFAOYSA-N,3,1,0.312,98,890,435.455,2.444,6,0.414,0.63,1.0,0.036066753478171475,0.037034815982454936,0.15560105544513742,0.1446182578301693,0.09333022068398328
EOS-3-14233,OCc1cncc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)c1,XNIGTKCUSPPTFP-UHFFFAOYSA-N,3,1,0.473,97,655,445.87,3.368,5,0.423,0.7,1.0,0.4864813926392982,0.5632581728462751,0.654967103008704,0.6304742649578507,0.583795233363032
EOS-3-14234,Fc1cc(COc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)ccc1Cl,SIAJCENLOILUTI-UHFFFAOYSA-N,3,1,0.662,2,131,433.834,4.015,5,0.413,0.72,1.0,0.8884158042629018,0.835026728805428,0.7883455554794051,0.7967325748749229,0.8271301658556645
EOS-3-14235,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)nn1,VDUVXTDAFXDXQE-UHFFFAOYSA-N,3,1,0.453,87,349,431.847,2.708,5,0.4,0.69,1.0,0.5138612843533685,0.6446696593790693,0.2727023507641697,0.32055719279007605,0.4379476218216709
EOS-3-14236,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cn4)n23)c(-c2ccc(F)cc2)n1,JVIDOJJGSMAMMD-UHFFFAOYSA-N,3,1,0.299,42,693,437.442,3.783,6,0.45,0.68,1.0,0.07443800973202659,0.23190665478719757,0.477563223905147,0.5141868274964019,0.32452367898019324
EOS-3-14237,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)cn4)n23)nc1,VSAXODDTLUALFP-UHFFFAOYSA-N,3,1,0.372,96,776,411.4,3.153,5,0.486,0.87,1.0,0.17526214789939004,0.18414604893427455,0.5295815913919539,0.547272291138373,0.3590655198409979
EOS-3-14238,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnnc(-c5ccccn5)n4)n23)c1,DNOHYKKVVFLJTP-UHFFFAOYSA-N,3,1,0.347,39,972,448.425,3.301,6,0.4,0.66,0.665,0.20349016517031046,0.2523387704749503,0.19464909875950928,0.30823795490370776,0.23967899732711945
EOS-3-14241,FC(F)(F)c1cnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1,YAUNGBPXUJJYRQ-UHFFFAOYSA-N,3,1,0.432,27,879,450.384,3.636,5,0.4,0.7,1.0,0.6370879309163183,0.7221831951202796,0.8916027002947022,0.7967411417997395,0.7619037420327599
EOS-3-14243,COc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)s2)n1,RMRCAZIOVWKZJQ-UHFFFAOYSA-N,3,1,0.33,52,423,470.518,3.273,6,0.401,0.79,0.999,0.23104996230553082,0.09385066136659585,0.02943595367007059,0.032074566513604276,0.09660278596395039
EOS-3-14244,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1,VTOJDAHOHKGBTK-UHFFFAOYSA-N,3,1,0.523,37,320,450.865,3.396,5,0.391,0.68,1.0,0.7431550270714824,0.7176427249674456,0.442618737577959,0.47869405798094716,0.5955276368994585
EOS-3-14245,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncnn4-c4cc(F)cc(F)c4)n23)cc1,XARKPFMFHSQPHG-UHFFFAOYSA-N,3,1,0.317,3,635,455.432,3.718,6,0.402,0.69,1.0,0.06476595161400864,0.17578473031320677,0.5497395654855733,0.6069837571105476,0.34931850113083407
EOS-3-14246,Fc1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)cc1,DEKYXAIVEYVTDP-UHFFFAOYSA-N,3,1,0.355,42,693,442.439,4.166,6,0.4,0.77,1.0,0.3458810225481461,0.4143907203070386,0.32434377355904326,0.4193424028510726,0.37598947981632513
EOS-3-14247,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)cc1F,NCQNCFAAQQKZGI-UHFFFAOYSA-N,3,1,0.438,19,207,449.396,3.682,5,0.391,0.72,1.0,0.7190048660132958,0.7130594201905284,0.7799328353094374,0.8164707696525255,0.7571169727914467
EOS-3-14248,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cnccn5)n34)nc2)n1,QFBPGKWSTNZHRV-UHFFFAOYSA-N,3,1,0.253,86,953,433.439,2.501,6,0.412,0.65,0.999,0.043417174970872455,0.028245151120553764,0.09353368514837913,0.0977743129326297,0.06574258104310876
EOS-3-14249,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cn2)cn1,FXYFSCAWSLEEDL-UHFFFAOYSA-N,3,1,0.258,86,421,433.439,2.501,6,0.412,0.65,1.0,0.036075320402988144,0.017493660475635667,0.18774415735727504,0.17078164622027278,0.10302369611404291
EOS-3-14250,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,YPBOMXVCHFKEGD-UHFFFAOYSA-N,3,1,0.32,76,387,433.439,2.501,6,0.412,0.65,1.0,0.08512953190322801,0.06305256665067507,0.07735076416969365,0.10615276540333082,0.0829214070317319
EOS-3-14251,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)n1,YCWMQYKIKJDTJJ-UHFFFAOYSA-N,3,1,0.308,32,191,431.463,3.711,6,0.419,0.69,1.0,0.08094030566787745,0.05915461585909122,0.34636077033787954,0.32056575971489276,0.20175536289493523
EOS-3-14252,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ncccn6)n5)n34)cc2)nc1,GZIIJLGZBLEQAG-UHFFFAOYSA-N,3,1,0.447,40,608,460.461,3.074,6,0.365,0.71,1.0,0.6144112809265986,0.5170738811596189,0.13435508189980125,0.11783805085326571,0.34591957370982107
EOS-3-14253,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cn1,HOQGOIAUOPLJRK-UHFFFAOYSA-N,3,1,0.294,86,812,433.439,2.501,6,0.412,0.66,0.998,0.14250222740045235,0.028253718045370434,0.16198341443355493,0.1547529298882873,0.12187307244191625
EOS-3-14255,CCn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,ILNSISUIJDUOQF-UHFFFAOYSA-N,3,1,0.511,20,658,430.447,3.225,5,0.391,0.73,1.0,0.38486053046398466,0.3377681447467617,0.35419950654513055,0.3145346446439586,0.34784070659995886
EOS-3-14256,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cncnc3-c3ncccn3)n12,MYWFVLXHHQAHTC-UHFFFAOYSA-N,3,1,0.457,65,262,449.837,2.847,5,0.385,0.68,0.999,0.8294582276745939,0.7315211431704476,0.3243523404838599,0.39705126447810296,0.570595743951751
EOS-3-14257,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cn1,SSBBNSLVGOVNQF-UHFFFAOYSA-N,3,1,0.282,99,286,422.416,1.624,6,0.416,0.71,1.0,0.006767870605167569,0.025837845247070113,0.10092694126516345,0.09585532177369611,0.05734699472277431
EOS-3-14258,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cnn2)n1,ORIRUBXKLNYJEE-UHFFFAOYSA-N,3,1,0.286,98,890,437.431,1.234,6,0.395,0.65,1.0,0.07867007059146049,0.030978000137070798,0.023910287163319853,0.02638612843533685,0.039986121581797
EOS-3-14259,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4cc(F)ccn4)n23)cc1,BSVCGNCKCLSYTD-UHFFFAOYSA-N,3,1,0.325,98,890,451.429,2.64,6,0.398,0.66,1.0,0.19258446987869235,0.267690699746419,0.1877527242820917,0.2569991775752176,0.22625676787060517
EOS-3-14260,Cn1cc(-c2ncnc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)n2)cn1,HIHFLAKKMKKRCE-UHFFFAOYSA-N,3,1,0.329,94,136,451.429,2.64,6,0.398,0.66,0.993,0.142510794325269,0.23191522171201426,0.18776129120690838,0.23635288876704819,0.19963504900280996
EOS-3-14261,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)cc1,LELNNVVJZPBVOD-UHFFFAOYSA-N,3,1,0.553,67,722,450.466,3.175,6,0.393,0.72,1.0,0.37341511890891643,0.26769926667123567,0.19809300253580975,0.18197005003084094,0.2552943595367007
EOS-3-14262,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnon6)cc5)n34)nc2)n1C,MNUIXJKQFUJQGF-UHFFFAOYSA-N,3,1,0.255,98,369,436.439,3.007,6,0.41,0.67,1.0,0.087579672400795,0.0405301213076554,0.17504797477897335,0.15476149681310397,0.11447981632513193
EOS-3-14263,Cc1nncc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,KYTWTACMVJTYNK-UHFFFAOYSA-N,3,1,0.529,36,534,431.847,2.974,5,0.413,0.63,1.0,0.7157323007333287,0.9007607429237201,0.2914467822630389,0.34607806181892947,0.5635044719347543
EOS-3-14264,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)cc1,YBMICXMZAYBRQP-UHFFFAOYSA-N,3,1,0.31,3,973,454.885,3.488,6,0.401,0.7,1.0,0.07444657665684326,0.23689260503049825,0.24053354807758207,0.36244088821876497,0.22857840449592215
EOS-3-14265,Cn1cc(-c2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)ccn2)cn1,HNZGEAWVUVBGEP-UHFFFAOYSA-N,3,1,0.277,94,892,432.451,3.106,6,0.418,0.67,1.0,0.047726338153656366,0.023473373997669796,0.2512079363991502,0.24804674114179973,0.142613597423069
EOS-3-14266,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ccn4)n23)cc1,IXXMIDKVRFRDDV-UHFFFAOYSA-N,3,1,0.296,98,725,432.451,3.106,6,0.418,0.67,1.0,0.10233191693509698,0.06306113357549174,0.32071139743677607,0.3205743266397094,0.20166969364676857
EOS-3-14267,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnccn5)n4)n23)cn1,ACDHAOJRZUKJFG-UHFFFAOYSA-N,3,1,0.478,7,85,449.381,2.614,5,0.366,0.73,1.0,0.6032914125145638,0.6211020492084162,0.4496778836268933,0.35551024604208076,0.5073953978479885
EOS-3-14268,Cn1cnnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,JPTFMHCBGSHMLL-UHFFFAOYSA-N,3,1,0.507,36,706,440.254,3.476,5,0.418,0.72,1.0,0.6032999794393804,0.7454766636967994,0.25121650332396683,0.4130285792611884,0.5032554314303338
EOS-3-14269,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ccccn6)n5)n34)cn2)cc1,AQGVFOHCWDWOMO-UHFFFAOYSA-N,3,1,0.307,30,93,428.459,4.372,6,0.411,0.78,0.997,0.1289407854156672,0.12259269412651634,0.36519943800973204,0.4161812075937222,0.25822853128640944
EOS-3-14270,COc1ncc(-c2nnc3cncc(-c4ccc(-c5cnnc(C)c5)c(F)c4)n23)cc1C,JECWGKYWJXEIOU-UHFFFAOYSA-N,3,1,0.321,96,336,427.443,4.075,5,0.427,0.73,1.0,0.4224950311836063,0.49916044136796656,0.6108217394284148,0.49708724556233297,0.5073911143855802
EOS-3-14271,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)nc2C)n1,WYFUHDDXZAAPLV-UHFFFAOYSA-N,3,1,0.562,19,54,424.468,3.277,5,0.409,0.75,1.0,0.5690065793982592,0.3281903228017271,0.11139572339113152,0.10201494071688026,0.2776518915769995
EOS-3-14272,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5nnnn5C)n4)n23)cc1,STCRNPVHWKBRPP-UHFFFAOYSA-N,3,1,0.312,98,882,437.431,1.234,6,0.395,0.66,1.0,0.0665821396751422,0.037043382907271605,0.010742923720101433,0.009432184223151258,0.030950157631416626
EOS-3-14273,Cn1cc(-c2cnc(-c3cncc4nnc(-c5cnc(-c6ccccc6F)nc5)n34)nc2)nn1,TUZWTFZXWWFIAO-UHFFFAOYSA-N,3,1,0.408,86,780,451.429,2.64,6,0.398,0.65,1.0,0.08297066684942773,0.19740764855047632,0.1715698033034062,0.21877355904324583,0.16768041943663903
EOS-3-14274,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)o1,XAGYFZXFSIBVKW-UHFFFAOYSA-N,3,1,0.529,4,677,433.859,4.086,5,0.408,0.75,1.0,0.55015934480159,0.7221917620450963,0.44968645055170997,0.4225721335069563,0.5361524227263381
EOS-3-14275,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)cn1,VTYGTXOKNJKNRC-UHFFFAOYSA-N,3,1,0.317,30,705,435.426,3.635,6,0.39,0.72,1.0,0.011274073058734837,0.1295747378521006,0.484708039202248,0.5504763210198067,0.29400829278322255
EOS-3-14276,COCc1ncc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)c(F)c4)n23)cn1,XAWAUZKIJADNDF-UHFFFAOYSA-N,3,1,0.31,50,728,418.396,1.724,5,0.42,0.77,1.0,0.32131108217394283,0.3428568980878624,0.09839969844424645,0.12242992255499965,0.22124940031526283
EOS-3-14277,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)o1,ZYYUOMANFINRGB-UHFFFAOYSA-N,3,1,0.318,38,270,432.447,4.274,6,0.406,0.74,1.0,0.12894935234048385,0.1329586731546844,0.26190802549516823,0.2807466931670208,0.20114068603933932
EOS-3-14278,Cn1nc(-c2ncnn2C(F)F)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,SVIVPOQLDMYLLP-UHFFFAOYSA-N,3,1,0.312,63,295,477.439,2.133,6,0.393,0.77,0.876,0.17255499965732302,0.1295833047769173,0.01532622849701871,0.025503735179220065,0.08574206702761976
EOS-3-14279,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(Cl)c1,PDGKPZDLXPUMLJ-UHFFFAOYSA-N,3,1,0.464,51,196,454.281,3.263,5,0.398,0.7,1.0,0.5527294222465904,0.6067353162908642,0.302275375231307,0.40644061407717086,0.4670451819614831
EOS-3-14280,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ncn(-c4ccccc4)n3)n12,YOWTZYWGOKIYCC-UHFFFAOYSA-N,3,1,0.326,10,289,447.462,3.505,6,0.395,0.7,1.0,0.07262182167089301,0.04411966280583922,0.22973922280858064,0.2042526214789939,0.1376833321910767
EOS-3-14281,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nc4)n23)cc1,RHQJVAUBLQLCTF-UHFFFAOYSA-N,3,1,0.662,97,540,415.844,3.876,5,0.43,0.83,1.0,0.9398173531629086,0.9391919676512919,0.6435987937769858,0.662497429922555,0.7962763861284353
EOS-3-14282,Cc1nc(-c2cc(F)ccc2-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)n(C)n1,LXOJWDPRDGZEMC-UHFFFAOYSA-N,3,1,0.318,10,151,452.457,3.282,6,0.404,0.69,0.992,0.00735042149270098,0.17124426016037284,0.18776985813172503,0.22754609005551368,0.14847765746007813
EOS-3-14283,Cc1csc(COc2cncc3nnc(-c4cnc(-c5cncc(Cl)c5)nc4)n23)n1,NKDMPZAIWHHXHO-UHFFFAOYSA-N,3,1,0.531,2,85,436.888,3.641,5,0.411,0.75,1.0,0.4714036049619629,0.5353728325680214,0.1526797340826537,0.18720444109382495,0.3366651531766157
EOS-3-14284,Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)ccc1F,KUBQPFNHEZKYLJ-UHFFFAOYSA-N,3,1,0.506,4,817,431.406,3.809,5,0.418,0.73,1.0,0.7492289767664999,0.7361472825714481,0.7993454869440065,0.7507967240079501,0.7588796175724761
EOS-3-14285,Cc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)cc3)n12,SXFYZBLWWIZCME-UHFFFAOYSA-N,3,1,0.273,9,98,431.463,4.009,6,0.449,0.71,1.0,0.10973373997669797,0.047752038928106366,0.5465612363785896,0.5173223219793023,0.30534233431567404
EOS-3-14286,COc1cccc(F)c1CNC(=O)c1ccc(-c2nnc3cncc(C4CCCCC4)n23)cc1,DRQRFQRMMWHALM-UHFFFAOYSA-N,3,1,0.49,0,21,459.525,4.917,5,0.443,0.83,1.0,0.49380611335754915,0.35753204029881436,0.12015112055376602,0.23053594681653075,0.30050630525666505
EOS-3-14287,Cn1nnnc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cn1,CSWVVWNPPHKPGL-UHFFFAOYSA-N,3,1,0.303,30,301,450.441,3.245,6,0.402,0.67,1.0,0.14251936125008566,0.23690117195531493,0.24758412720169967,0.3624494551435817,0.2473635288876705
EOS-3-14288,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)c1-c1ccc(F)cc1,UHKDQCSXQRJYFW-UHFFFAOYSA-N,3,1,0.354,98,314,450.441,3.245,6,0.402,0.67,1.0,0.1479422246590364,0.21656329244054554,0.40252552943595366,0.457345281337811,0.30609408196833665
EOS-3-14289,Cn1cc(-c2nccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n2)cn1,OAJKASVGGFWVSR-UHFFFAOYSA-N,3,1,0.303,39,972,450.441,3.245,6,0.402,0.67,1.0,0.11228668357206498,0.1841546158590912,0.2297477897333973,0.28969056267562193,0.20396991296004385
EOS-3-14290,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)nc1,YKXNGTMYPKXOQZ-UHFFFAOYSA-N,3,1,0.289,86,114,433.439,2.501,6,0.412,0.64,0.979,0.07263038859570968,0.04053868823247207,0.05295216229182373,0.06983757110547598,0.058989702556370364
EOS-3-14291,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(C)s5)c4)n23)cc1,MKHKOWRDFGQGGK-UHFFFAOYSA-N,3,1,0.523,89,637,456.531,4.162,5,0.412,0.77,1.0,0.597508738263313,0.2422554999657323,0.39143136179836885,0.2305445137413474,0.3654350284421904
EOS-3-14292,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5nnnn5C)c4)n23)c(F)c1,HJXBAPQKFQVFGO-UHFFFAOYSA-N,3,1,0.304,98,866,453.445,2.583,6,0.4,0.66,1.0,0.20078301692824344,0.2677078335960524,0.2189448975395792,0.2540093208142005,0.2353612672195189
EOS-3-14293,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5)n4C)n23)c(F)c1,VGVYEGUICWFOGW-UHFFFAOYSA-N,3,1,0.333,8,765,453.445,2.583,6,0.4,0.65,1.0,0.12042526214789939,0.2937341511890892,0.10362552258241382,0.15762284970187102,0.16885194640531836
EOS-3-14294,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(C(F)F)cn4)n23)nc1,PEPSYYLTAIXKDK-UHFFFAOYSA-N,3,1,0.432,68,806,412.36,1.852,4,0.51,0.74,1.0,0.4272668083064903,0.24736995408128298,0.3317370296758276,0.19812727023507642,0.30112526557466934
EOS-3-14295,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cc5)n34)nc2)nc1,LAUJPJHVAZTWBU-UHFFFAOYSA-N,3,1,0.326,32,174,428.459,4.372,6,0.411,0.76,1.0,0.07646837091357686,0.09385922829141251,0.5395963265026387,0.5537660201494071,0.3159224864642588
EOS-3-14296,Cc1csc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6nnnn6C)cc5)n34)n2)n1,FFRWQCREFRCPST-UHFFFAOYSA-N,3,1,0.297,98,866,454.483,2.266,6,0.39,0.68,1.0,0.05771537248989103,0.12621650332396683,0.009689191967651292,0.008112877801384415,0.0504334863957234
EOS-3-14297,Cc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)cn1,VSLRJWYCBCCPFS-UHFFFAOYSA-N,3,1,0.573,27,343,446.421,3.863,5,0.387,0.73,1.0,0.8884243711877184,0.7222003289699129,0.6608697142073882,0.5635151805907751,0.7087523987389487
EOS-3-14298,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cn4)n23)nc1,DZISSXACVYLXOC-UHFFFAOYSA-N,3,1,0.278,86,652,434.467,3.049,6,0.42,0.65,0.999,0.092479953395929,0.037051949832088274,0.22975635665821398,0.19291857994654238,0.1380517099581934
EOS-3-14299,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)cs4)n23)nc1,JLQCOARILZLXRZ-UHFFFAOYSA-N,3,1,0.388,33,53,448.468,2.545,5,0.416,0.68,1.0,0.30612192447399084,0.13647967925433485,0.056635939962990885,0.019721060927969297,0.12973965115482147
EOS-3-14300,N#Cc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)nc1,GHZABMPIJHVBDC-UHFFFAOYSA-N,3,1,0.446,46,267,424.399,3.233,5,0.422,0.7,1.0,0.6256339524364334,0.6116355972859983,0.67451682544034,0.6480621616064698,0.6399621341923103
EOS-3-14301,COc1cc(-c2cn(C)nn2)ccc1-c1nnc2cncc(OCc3cc(C)nn3C)n12,MDFYACHRTGPDOM-UHFFFAOYSA-N,3,1,0.419,36,662,431.46,2.216,5,0.402,0.72,1.0,0.18677609485299157,0.14039476389555205,0.11740113768761565,0.04359708039202248,0.12204226920704545
EOS-3-14302,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cc2)n1,LCKUWHMPVYBFJN-UHFFFAOYSA-N,3,1,0.286,98,213,433.439,2.501,6,0.412,0.67,1.0,0.09727743129326297,0.07402679734082654,0.17505654170379,0.1846172297991913,0.1327445000342677
EOS-3-14303,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2)n[nH]1,GOYJTXZEYOPYFN-UHFFFAOYSA-N,3,1,0.389,46,565,419.836,2.907,5,0.432,0.78,1.0,0.5423034747447056,0.6116441642108149,0.24759269412651636,0.2540178877390172,0.4138895552052635
EOS-3-14304,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccc2F)nc1,IBSVWEZSPXSJGM-UHFFFAOYSA-N,3,1,0.483,73,82,452.812,3.549,5,0.399,0.71,1.0,0.8937872661229525,0.9032194503461037,0.652259954766637,0.6885580152148585,0.7844561716126379
EOS-3-14305,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cnc(C(F)(F)F)cn5)nn4C)n23)cc1,MDFLHSSDMVNXHB-UHFFFAOYSA-N,3,1,0.346,74,333,480.414,2.422,5,0.415,0.8,0.984,0.1565091494757042,0.2319237886368309,0.4025340963607703,0.23932561167843192,0.2575731615379343
EOS-3-14306,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cnccn6)nc5)n34)nc2)nc1,VWPSVJOIZDGWOQ-UHFFFAOYSA-N,3,1,0.316,86,459,449.413,2.696,6,0.395,0.65,1.0,0.31404632992940856,0.32819888972654376,0.18119902679734082,0.20426118840381058,0.25692635871427594
EOS-3-14307,FC(F)n1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)nn1,YTLSYEWVOVTSMJ-UHFFFAOYSA-N,3,1,0.542,51,946,455.816,3.467,5,0.383,0.73,1.0,0.6061613323281475,0.8005962579672401,0.5950928654650127,0.6037197587553972,0.6513925536289493
EOS-3-14308,Fc1ccc(Cl)cc1-c1nnc2cncc(-c3nncnc3-c3ccc(Cl)cc3)n12,JCCGYJJGRLLUHP-UHFFFAOYSA-N,3,1,0.373,45,730,438.253,4.756,5,0.404,0.82,0.717,0.35252038928106366,0.5724504831745597,0.8415804262901789,0.9384809128915085,0.6762580529093277
EOS-3-14309,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,GVWJUNPUJUKINI-UHFFFAOYSA-N,3,1,0.306,38,608,431.463,3.711,6,0.419,0.7,1.0,0.057723939414707694,0.05138441505037352,0.3914399287231855,0.34932492632444656,0.21246830237817832
EOS-3-14310,COc1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1-c1nccn1C,FTWXVKFMPBIJBU-UHFFFAOYSA-N,3,1,0.571,43,521,430.443,3.919,5,0.406,0.75,1.0,0.77524672743472,0.5724590500993764,0.7039270783359606,0.5887533411006785,0.6600965492426839
EOS-3-14311,Cc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc(-c2cnc(C)o2)n1,WLJDQIMRFYKEJQ-UHFFFAOYSA-N,3,1,0.688,11,661,430.443,4.219,5,0.398,0.81,1.0,0.7190134329381125,0.5880594201905284,0.5396048934274553,0.45735384826262765,0.5760078987046809
EOS-3-14313,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccs5)cn4)n23)cc1,GRYFFFNBJCDZKE-UHFFFAOYSA-N,3,1,0.527,89,398,469.53,3.781,6,0.386,0.79,1.0,0.33871907340141183,0.17579329723802345,0.14055753546706873,0.13767904872866835,0.19818723870879307
EOS-3-14314,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(F)nn5)n4)n23)cc1,RLLRHBLZLHEPSK-UHFFFAOYSA-N,3,1,0.494,4,32,432.394,3.204,5,0.417,0.67,1.0,0.8294667945994106,0.7796415598656706,0.3842779795764512,0.3970598314029196,0.597611541361113
EOS-3-14315,Cn1nccc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)n1,LKFSYVIUKUTVLA-UHFFFAOYSA-N,3,1,0.282,70,957,432.451,3.106,6,0.418,0.68,1.0,0.039039476389555204,0.017502227400452333,0.247601261051333,0.2570077445000343,0.1402876773353437
EOS-3-14316,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4cncnc4)n23)cc1,LQOUMFYBMZWNMW-UHFFFAOYSA-N,3,1,0.315,94,42,432.451,3.106,6,0.418,0.68,1.0,0.13714789939003497,0.04054725515728874,0.22605544513741346,0.23055308066616406,0.1585759200877253
EOS-3-14318,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)nc1,LARHTUZSGNOZTC-UHFFFAOYSA-N,3,1,0.333,70,968,450.441,3.245,6,0.376,0.7,0.995,0.1671835377972723,0.2369097388801316,0.3577804811184977,0.36245802206839833,0.281082944966075
EOS-3-14319,O=C(c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nc1)N1CCOCC1,MBZGFVMXSBNRCG-UHFFFAOYSA-N,3,1,0.705,63,683,482.903,3.073,5,0.417,0.82,0.997,0.24458570351586595,0.07046295661709273,0.05853779727229114,0.20107429237201013,0.143665187444315
EOS-3-14320,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)c(F)c1,QXWFWUSARNAKPB-UHFFFAOYSA-N,3,1,0.31,94,615,450.441,3.245,6,0.402,0.68,0.988,0.25025700774450005,0.27782537180453704,0.30585634980467413,0.34933349324926327,0.2958180556507436
EOS-3-14321,Fc1cc(-c2ccc(Cl)nn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,VXTRHYIPLOLIAZ-UHFFFAOYSA-N,3,1,0.517,20,846,448.849,3.452,5,0.389,0.71,1.0,0.8439363306147625,0.9078113220478377,0.5090038379823179,0.560216914536358,0.705242101295319
EOS-3-14322,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccnc(F)c5)n4)n23)cn1,NWVXWGKNMMKFCD-UHFFFAOYSA-N,3,1,0.356,82,155,445.433,3.816,5,0.42,0.71,0.982,0.40019532588582,0.5037180453704339,0.8260485915975602,0.6970564046329929,0.6067545918717018
EOS-3-14323,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6F)n5)n34)cc2)n1,KTGRPNKAFKBCEW-UHFFFAOYSA-N,3,1,0.312,3,973,450.441,3.339,6,0.402,0.67,1.0,0.047734905078473035,0.23691830580494824,0.22976492358303063,0.3018727297649236,0.20407271605784388
EOS-3-14324,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1,YRCYSQCSVYHALN-UHFFFAOYSA-N,3,1,0.61,35,300,429.871,3.918,5,0.378,0.75,1.0,0.957473785210061,0.9446148310602426,0.54974813241039,0.5442395997532725,0.7490190871084915
EOS-3-14325,CCOc1cc(C(F)(F)F)cc(COc2cncc3nnc(-c4cccc(F)c4)n23)n1,IBHIETNBAADVND-UHFFFAOYSA-N,3,1,0.61,48,12,433.365,4.322,4,0.422,0.75,1.0,0.7311784661777808,0.8832071139743678,0.9781629086423137,0.9341974504831746,0.8816864848194091
EOS-3-14326,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)cn2)o1,MTCBUZILMBXPSG-UHFFFAOYSA-N,3,1,0.281,70,392,433.435,3.669,6,0.41,0.68,1.0,0.11229525049688165,0.08104310876567747,0.2879257761633884,0.25701631142485093,0.1845701117126996
EOS-3-14327,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)cn2)n1,YHQNIZZZZBJDOZ-UHFFFAOYSA-N,3,1,0.469,65,779,434.851,2.345,5,0.427,0.69,1.0,0.5662737303817422,0.6789716263450072,0.07940682612569393,0.08990987595092866,0.353640514700843
EOS-3-14328,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nc5C)cnn4)n23)nc1,NGZKMZNMZBCNLE-UHFFFAOYSA-N,3,1,0.406,33,760,456.47,1.624,5,0.404,0.67,1.0,0.15651771640052087,0.07403536426564321,0.07295593173874305,0.022976492358303062,0.08162137619080255
EOS-3-14329,Fc1ncccc1-n1cc(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nn1,DYLZBHSDNKRJSL-UHFFFAOYSA-N,3,1,0.366,22,844,427.23,3.88,5,0.406,0.76,1.0,0.03904804331437187,0.33777671167157836,0.7062829826605441,0.8545421835377973,0.4844124802960729
EOS-3-14330,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)cn1,WZLCBDZABDTNKM-UHFFFAOYSA-N,3,1,0.494,59,910,435.85,3.958,5,0.415,0.71,1.0,0.7521331642793503,0.7035844013432938,0.7945908436707559,0.7875145637721883,0.7594557432663971
EOS-3-14331,CCc1cncc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NC)cc5)n34)c2)c1,PPPSLEVKNVLPBD-UHFFFAOYSA-N,3,1,0.541,89,656,465.517,3.749,5,0.39,0.78,1.0,0.5859176889863614,0.21657185936536222,0.5125162771571516,0.3145432115687753,0.40738725926941266
EOS-3-14332,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)ccc1Cl,DBCYZHSGTOJWBW-UHFFFAOYSA-N,3,1,0.529,72,389,429.871,4.184,5,0.413,0.75,1.0,0.7867264066890549,0.8418974025083956,0.6660869714207388,0.6538277020080872,0.7371346206565692
EOS-3-14333,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccnc5Cl)nc4)n23)cc1,JTKPBQUEWLHBAH-UHFFFAOYSA-N,3,1,0.58,89,805,429.871,4.184,5,0.413,0.75,1.0,0.9212613940100062,0.7882855870056884,0.5497566993352067,0.5371975875539716,0.6991253169762182
EOS-3-14334,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccn(C)n6)cn5)n34)nc2)n(C)n1,XKNJKEDQYGFWJW-UHFFFAOYSA-N,3,1,0.258,70,813,448.494,3.358,6,0.407,0.67,1.0,0.03608388732780481,0.047760605852923035,0.21895346446439587,0.15763141662668767,0.11510734356795285
EOS-3-14335,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)nc1,BNEIHSRIVVFJFE-UHFFFAOYSA-N,3,1,0.662,84,166,447.861,4.057,5,0.387,0.75,1.0,0.9290144609690906,0.9456685628126927,0.6108303063532314,0.6682030018504558,0.7884290829963676
EOS-3-14336,Cn1cnnc1-c1nnc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)n1C,MLJHDSZGIUDVMP-UHFFFAOYSA-N,3,1,0.321,99,854,454.433,1.978,6,0.392,0.68,0.944,0.12600233020355014,0.20678843122472756,0.014041189774518539,0.04109553834555548,0.09698187238708791
EOS-3-14337,Cc1ncc(-c2nnc3cncc(OCc4cncc(-c5nc(C)ncc5C)c4)n23)cn1,YVVVFSBJYOUNEJ-UHFFFAOYSA-N,3,1,0.46,51,113,425.456,2.938,5,0.419,0.71,1.0,0.4177917894592557,0.13648824617915153,0.15560962236995407,0.08110307723939415,0.19774818381193887
EOS-3-14338,Cn1nnc(-c2nccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)n2)n1,AZMJKOFMGLDOJY-UHFFFAOYSA-N,3,1,0.302,39,972,452.417,2.035,6,0.39,0.66,0.9,0.12895791926530054,0.1841631827839079,0.032982660544171066,0.06984613803029265,0.10398747515591804
EOS-3-14339,Cn1nccc1-c1nccnc1COc1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,MJBQLPHWXXJGKF-UHFFFAOYSA-N,3,1,0.505,89,731,427.428,1.66,5,0.432,0.65,1.0,0.3140548968542252,0.12260126105133301,0.0865687752724282,0.04360564731683915,0.1417076451237064
EOS-3-14340,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(C#N)n4)n23)cc1,FGRKJGQVFPAJHW-UHFFFAOYSA-N,3,1,0.478,36,320,444.846,2.481,5,0.375,0.73,1.0,0.547452196559523,0.572467617024193,0.22977349050784732,0.22755465698033034,0.3943119902679734
EOS-3-14341,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1,ZCVPLWGFJNXGAT-UHFFFAOYSA-N,3,1,0.312,30,945,429.447,3.767,6,0.417,0.71,0.83,0.14503803714618602,0.09064663148516208,0.30944589130285793,0.39135425947501884,0.2341212048523062
EOS-3-14342,Cc1ncc(-c2nnc3cncc(OCc4cncc(-c5cnc(C(F)F)nc5)c4)n23)cn1,ZQMOJEXERFQJQX-UHFFFAOYSA-N,3,1,0.46,51,855,447.409,3.258,5,0.386,0.68,1.0,0.7157408676581455,0.5170824480844356,0.5052001233637173,0.3555188129668974,0.523385563018299
EOS-3-14343,Fc1cc(-c2cccnc2)cnc1Oc1cncc2nnc(-c3ccc(OC(F)F)nc3)n12,NQBUNKIUXONHAV-UHFFFAOYSA-N,3,1,0.425,2,412,451.368,4.176,5,0.379,0.8,1.0,0.8620896443012817,0.8860513330135015,0.8810568158453841,0.8221934754300596,0.8628478171475568
EOS-3-14344,Fc1cccc(-c2ncnnc2-c2nnc3cncc(Cc4cncc(C(F)(F)F)c4)n23)c1,ZUDOCNXQSQEUKP-UHFFFAOYSA-N,3,1,0.32,85,315,452.375,3.787,5,0.383,0.75,0.931,0.31132204783770817,0.3765163456925502,0.9319357823315743,0.9170978685491056,0.6342180111027346
EOS-3-14345,COc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cc(Cl)cc(-c4cncn4C)n3)n12,LEFHBXZIOPVDEL-UHFFFAOYSA-N,3,1,0.372,74,768,460.885,3.015,5,0.427,0.68,0.996,0.33399869782742786,0.3136693852374752,0.3768333219107669,0.28969912960043864,0.3285501336440272
EOS-3-14346,Cc1ncc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)nn5)n34)cn2)cn1,VVSXZBOGPWQVSJ-UHFFFAOYSA-N,3,1,0.341,85,362,450.388,2.746,5,0.407,0.64,1.0,0.2793245836474539,0.3619868412034816,0.46371907340141183,0.30529093276677405,0.35258035775478036
EOS-3-14347,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc[nH]5)nc4)n23)cc1,WGFITMOSYJWQJR-UHFFFAOYSA-N,3,1,0.303,98,882,421.428,2.434,6,0.46,0.67,1.0,0.05253238297580701,0.028262284970187103,0.16513604276608868,0.16547015283393873,0.10285021588650538
EOS-3-14348,Fc1cnc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)c1,BFMWGYAZOOMDFW-UHFFFAOYSA-N,3,1,0.461,55,242,434.822,3.41,5,0.387,0.75,1.0,0.877116030429717,0.8641371393324652,0.5362809265985882,0.5537745870742239,0.7078271708587485
EOS-3-14349,Fc1cnc(Cl)nc1COc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,FXKCTGGJHDKSIY-UHFFFAOYSA-N,3,1,0.5,73,300,434.822,3.41,5,0.387,0.75,1.0,0.9098759509286547,0.8549276951545474,0.4602751696251114,0.469775889246796,0.6737136762387774
EOS-3-14350,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)n2)n1,PYYDBQCDFQDWTD-UHFFFAOYSA-N,3,1,0.292,76,356,452.417,2.035,6,0.39,0.65,0.929,0.08513809882804468,0.18005962579672402,0.05109313960660681,0.11066753478171476,0.10673959975327257
EOS-3-14351,Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)c5)c4F)n23)cn1,LAGABLDXDJVYAS-UHFFFAOYSA-N,3,1,0.605,16,772,433.422,3.752,5,0.42,0.7,1.0,0.6001216503323967,0.535381399492838,0.8014015489000068,0.7082276745939278,0.6612830683297923
EOS-3-14352,Cc1ccc(F)cc1-c1nnc2cncc(OCc3cccc(-c4nnc(C)n4C)c3)n12,JSUZFRQMGBSVHA-UHFFFAOYSA-N,3,1,0.529,43,250,429.459,3.922,5,0.421,0.77,1.0,0.5423120416695223,0.467557055719279,0.4165924199849222,0.38797889109725175,0.45361010211774383
EOS-3-14353,Cc1cnc(Cc2cncc3nnc(-c4cccc(-c5nnc(Cl)c(C)n5)c4)n23)cn1,IAAAKTVXAXBTPQ-UHFFFAOYSA-N,3,1,0.349,85,60,429.875,3.294,5,0.428,0.67,1.0,0.22855698718388048,0.2778339387293537,0.10894558289356453,0.13323281474881776,0.1871423308889041
EOS-3-14354,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)n5)n34)cc2)n1,MXPGUXZVUBHTDZ-UHFFFAOYSA-N,3,1,0.291,38,193,446.478,3.414,6,0.405,0.68,1.0,0.13715646631485162,0.040555822082105404,0.14347885682955247,0.13768761565348503,0.11471969021999863
EOS-3-14355,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1C,ZIJDZVFGJBUEAB-UHFFFAOYSA-N,3,1,0.394,46,168,432.875,3.523,5,0.419,0.68,1.0,0.5829449660749777,0.5263261599616201,0.3914484956480022,0.36567061887464875,0.4665975601398122
EOS-3-14356,Clc1cncc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ncn2)c1,JEALAHITPKUGMV-UHFFFAOYSA-N,3,1,0.311,46,971,437.25,4.137,5,0.413,0.73,0.703,0.5690151463230758,0.5588976081145912,0.5531834692618738,0.6538362689329038,0.5837331231581111
EOS-3-14357,Cc1ncn(C)c1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nc1,HVBSCEVXRRAVAA-UHFFFAOYSA-N,3,1,0.301,94,515,445.49,4.019,6,0.404,0.73,0.361,0.14795079158385305,0.05528236584195737,0.26541189774518537,0.2689157699952025,0.18439020629154956
EOS-3-14358,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4)n23)c1,YSXINFIYUDGGHA-UHFFFAOYSA-N,3,1,0.27,64,449,445.49,4.019,6,0.404,0.73,0.993,0.1123038174216983,0.019147076965252554,0.2335001028030978,0.24223836611609897,0.1517973408265369
EOS-3-14359,Cc1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)n(C)n1,NODISVCMXUAPTN-UHFFFAOYSA-N,3,1,0.357,93,757,445.49,4.019,6,0.404,0.73,1.0,0.09728599821807964,0.0704715235419094,0.19108525803577547,0.23636145569186484,0.14880105887190734
EOS-3-14360,Cc1cc(-c2nnc3cncc(OCc4nccc(-c5ccccn5)n4)n23)ccc1Cl,SLWOKJKYMAPZCL-UHFFFAOYSA-N,3,1,0.472,24,335,429.871,4.184,5,0.413,0.77,1.0,0.7810893701596875,0.8697741758618326,0.48827187992598176,0.5104430813515181,0.6623946268247549
EOS-3-14361,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1F,PAVRQZUXYDUGFF-UHFFFAOYSA-N,3,1,0.529,35,846,431.406,3.543,5,0.406,0.69,1.0,0.9002895620588034,0.9032280172709204,0.6771897059831403,0.6651960112398053,0.7864758241381674
EOS-3-14362,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,LKOREBUGKMZRCB-UHFFFAOYSA-N,3,1,0.448,87,349,445.874,3.017,5,0.388,0.7,1.0,0.5717822630388596,0.6642450825851552,0.23686690425604826,0.23933417860324857,0.4280571071208279
EOS-3-14363,Cc1cc(C(F)F)cnc1-c1nnc2cncc(-c3cc(-c4cccc(F)c4)ncn3)n12,WXFBONMCPWBQTI-UHFFFAOYSA-N,3,1,0.307,44,315,433.397,4.695,5,0.409,0.82,0.688,0.25790727160578436,0.44994345829621,0.8745545199095333,0.8710677815091494,0.6133682578301692
EOS-3-14364,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)n1,BQUAVPBPGOFDRP-UHFFFAOYSA-N,3,1,0.5,36,208,449.837,3.113,5,0.398,0.68,1.0,0.743163593996299,0.820274484271126,0.3503358234528134,0.3913628263998355,0.5762841820300185
EOS-3-14365,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c(F)c1,NKQJDFLKAHKXOQ-UHFFFAOYSA-N,3,1,0.293,42,219,455.482,3.911,6,0.397,0.73,1.0,0.14252792817490234,0.26771640052086904,0.3689089164553492,0.4573624151874443,0.3091289150846412
EOS-3-14367,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)nc1,ORZXENFVSKJISO-UHFFFAOYSA-N,3,1,0.262,10,871,420.44,2.834,6,0.432,0.72,0.309,0.005851209649784113,0.014529504489068604,0.15268830100747036,0.17079021314508944,0.08596480707285312
EOS-3-14368,Cc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cn1,DTKGJJPYPDQNIP-UHFFFAOYSA-N,3,1,0.456,46,128,430.859,3.579,5,0.416,0.67,1.0,0.5013964087451168,0.6594476046878213,0.395243643341786,0.3846634911932013,0.4851877869919814
EOS-3-14369,N#Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ncccn5)n34)nc2)nc1,UFOOPFOVXVGSPH-UHFFFAOYSA-N,3,1,0.294,86,977,455.445,3.034,6,0.389,0.69,1.0,0.16457919265300527,0.1712528270851895,0.20860461928586116,0.23344870125419778,0.19447133506956343
EOS-3-14370,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncc(C(F)F)c5)c4)n23)cn1,MQHCUUQJQIHEKR-UHFFFAOYSA-N,3,1,0.333,82,204,457.444,4.213,5,0.425,0.7,1.0,0.25791583853060107,0.21162017682132822,0.7905044205332054,0.7191248029607292,0.494791309711466
EOS-3-14371,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nn2)cc1Cl,GOESCGKJLBXKLM-UHFFFAOYSA-N,3,1,0.274,10,872,459.836,3.012,6,0.426,0.7,0.984,0.05951442670139127,0.24737852100609964,0.4202676307312727,0.527054348571037,0.31355373175245016
EOS-3-14372,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nc1,KKBVNTJVMCHXEG-UHFFFAOYSA-N,3,1,0.351,70,776,412.388,2.548,5,0.481,0.8,1.0,0.20079158385306012,0.16721780549653897,0.3652080049345487,0.3460866287437461,0.26982600575697346
EOS-3-14373,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)n2)c1,NEKNXDXRAUASJG-UHFFFAOYSA-N,3,1,0.308,10,871,452.869,3.544,6,0.399,0.69,0.785,0.03905661023918854,0.17126139401000617,0.24054211500239875,0.3493420601740799,0.20005054485641835
EOS-3-14374,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(C(F)F)n5)n34)c2)nn1,RYJKEDGUACWRAI-UHFFFAOYSA-N,3,1,0.394,53,587,447.409,3.258,5,0.386,0.69,0.981,0.3915941333698855,0.36690425604824894,0.342505654170379,0.23934274552806525,0.3350866972791447
EOS-3-14375,Cn1c(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)cnc1C#N,OBKIXQVWFCMGEA-UHFFFAOYSA-N,3,1,0.453,92,879,452.438,1.531,5,0.402,0.68,1.0,0.5089610033582346,0.2778425056541704,0.16514460969090536,0.09382496059214585,0.26144326982386407
EOS-3-14376,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccnn5)c4)n23)cc1,RBVMTEGRLOVAGC-UHFFFAOYSA-N,3,1,0.646,72,226,448.393,3.219,5,0.37,0.71,1.0,0.922426495785073,0.7962699609348228,0.7220118566239463,0.6565434171749709,0.7743129326297031
EOS-3-14377,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)nc1,FSWXSMFTGFDZQW-UHFFFAOYSA-N,3,1,0.272,39,495,449.413,2.696,6,0.395,0.68,1.0,0.2528185182646837,0.24226406689054897,0.165153176615722,0.2393513124528819,0.22489676855595914
EOS-3-14378,Fc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)ncn2)cn1,HJQFPPPWIDOHSY-UHFFFAOYSA-N,3,1,0.274,94,165,449.413,2.696,6,0.395,0.68,0.962,0.18399184428757454,0.2677249674456857,0.32787334658351036,0.33655164142279487,0.2790354499348914
EOS-3-14379,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1F,IOFJEUFZJLPAIE-UHFFFAOYSA-N,3,1,0.565,35,884,430.418,4.148,5,0.403,0.78,1.0,0.8439448975395792,0.8384106641080118,0.8796604071002673,0.8710763484339662,0.858273079295456
EOS-3-14380,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nn5)n34)cn2)cc1,ZQJXZGSCGOPPNI-UHFFFAOYSA-N,3,1,0.375,98,63,462.477,3.114,6,0.38,0.71,0.82,0.17824343773559043,0.0877167431978617,0.1981015694606264,0.1819786169556576,0.16151009183743403
EOS-3-14381,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncn4)n23)cn1,BTFSNZIASRWCMF-UHFFFAOYSA-N,3,1,0.381,7,828,432.835,2.369,5,0.408,0.65,0.996,0.4409224864642588,0.489659721746282,0.11740970461243232,0.1267562195874169,0.2936870331025975
EOS-3-14382,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)cc1,HUXKVOIDAIWSKN-UHFFFAOYSA-N,3,1,0.354,3,783,440.854,4.347,6,0.401,0.77,1.0,0.0559934206017408,0.22179768350352957,0.6168699883489822,0.702676307312727,0.3993343499417449
EOS-3-14383,COCc1ncc(-c2nnc3cncc(-c4ccc(-c5ccc(C)nn5)cc4OC)n23)cn1,ZKFBSWLLGPBIML-UHFFFAOYSA-N,3,1,0.308,82,336,440.467,3.169,5,0.393,0.68,0.652,0.29311733260228906,0.077522102666027,0.2512250702487835,0.14716263450071962,0.19225678500445478
EOS-3-14384,Cc1nc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,RBWLZOJQELVOTE-UHFFFAOYSA-N,3,1,0.5,65,904,430.447,3.051,5,0.408,0.72,1.0,0.5014049756699335,0.484990747721198,0.3952522102666027,0.31455177849359195,0.4240499280378315
EOS-3-14385,Cn1cc(-c2cc(C#N)cc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)c2)cn1,QRRBHDBAAFQGDD-UHFFFAOYSA-N,3,1,0.299,42,967,456.473,3.582,6,0.394,0.73,1.0,0.07445514358165993,0.10335138098828045,0.5793125899527106,0.5442481666780893,0.3253418203001851
EOS-3-14386,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5cnc(C(C)(F)F)nc5)n34)nn2)o1,MIYGDZFXFIXTEH-UHFFFAOYSA-N,3,1,0.344,53,105,438.358,2.634,5,0.399,0.68,0.999,0.6033085463641971,0.4587245562332945,0.14348742375436913,0.06009697758892468,0.31640437598519633
EOS-3-14387,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ncc(Cl)cn5)nn4)n23)cn1,DMRJWHOHQQXEEV-UHFFFAOYSA-N,3,1,0.293,86,312,456.861,2.278,6,0.392,0.72,1.0,0.028596395038037146,0.13296724007950106,0.0529607292166404,0.08458124871496128,0.07477640326228496
EOS-3-14388,c1cncc(-c2cncnc2-c2nnc3cncc(-c4nncnc4-c4cccnc4)n23)c1,YNDNWNYENSRWRL-UHFFFAOYSA-N,3,1,0.238,94,165,431.423,2.557,6,0.41,0.69,0.933,0.09031252141731204,0.030986567061887463,0.1284867384003838,0.19292714687135906,0.11067824343773558
EOS-3-14389,COc1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1-c1nccn1C,UQZDHAXMJIZUKS-UHFFFAOYSA-N,3,1,0.522,59,521,448.433,4.058,5,0.39,0.75,1.0,0.7608542937427181,0.583039202247961,0.8383849633335618,0.7352391885408813,0.7293794119662806
EOS-3-14390,Cn1cc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccc(C#N)cc6)cn5)n34)cn2)cn1,YYPLGRSMFHMYBP-UHFFFAOYSA-N,3,1,0.326,86,151,445.45,2.706,6,0.405,0.64,1.0,0.006330957439517511,0.02584641217188678,0.40614933863340413,0.39706839832773627,0.20884877664313617
EOS-3-14391,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(Cl)cn5)c(F)c4)n23)cn1,RSNDYBFSYDCOOD-UHFFFAOYSA-N,3,1,0.37,85,260,475.875,2.781,5,0.411,0.74,0.998,0.2903502158865054,0.3327650606538277,0.205152148584744,0.21608354465081214,0.26108774244397237
EOS-3-14392,Cc1c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)nnn1C,DWWHOYZRGDMTGO-UHFFFAOYSA-N,3,1,0.352,93,651,444.502,4.624,6,0.394,0.84,1.0,0.03906517716400521,0.08772531012267837,0.35034439037763004,0.4064491810019875,0.22089601466657527
EOS-3-14393,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)nc5)cn4)n23)cc1,QPDKDWGAFKKNHG-UHFFFAOYSA-N,3,1,0.342,38,167,450.441,3.245,6,0.376,0.71,1.0,0.16458775957782196,0.2319323555616476,0.3842865465012679,0.3815965321088342,0.2906007984373929
EOS-3-14394,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)c(F)n2)n(C)n1,RTCZBKCYPVPOJW-UHFFFAOYSA-N,3,1,0.36,74,124,442.458,3.109,5,0.428,0.67,0.753,0.1898259200877253,0.20218799259817696,0.32436090740867657,0.22164347885682956,0.23450457473785208
EOS-3-14395,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)ncn1,KYNSOQVPRQGIBN-UHFFFAOYSA-N,3,1,0.571,34,659,434.822,3.41,5,0.387,0.7,1.0,0.9588958947296279,0.9609262559111781,0.6436073607018025,0.6885665821396751,0.8129990233705708
EOS-3-14396,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5)ccc4F)n23)cc1F,RRELLHJUIUJGMU-UHFFFAOYSA-N,3,1,0.489,43,623,475.459,3.409,5,0.404,0.78,1.0,0.5917774655609622,0.42339455828935646,0.7864779658693716,0.6625059968473717,0.6160389966417655
EOS-3-14397,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,XGTOROFFPKZGDC-UHFFFAOYSA-N,3,1,0.319,98,882,436.443,1.839,6,0.406,0.64,1.0,0.06306113357549174,0.017510794325269002,0.04115550681927215,0.044933520663422655,0.041665238845863886
EOS-3-14398,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)nc2)nn1,ACNANZWDWBVOLZ-UHFFFAOYSA-N,3,1,0.385,89,310,470.468,3.443,5,0.384,0.74,1.0,0.36872901103419914,0.14776231923788638,0.28045541772325405,0.16035569871838803,0.23932561167843192
EOS-3-14399,OCCn1ncc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ccc2F)n1,AHFPTTBQUTVOBV-UHFFFAOYSA-N,3,1,0.382,13,706,452.837,3.022,5,0.418,0.72,1.0,0.539639161126722,0.5170910150092523,0.3615070934137482,0.43806113357549176,0.4640746007813036
EOS-3-14400,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncc(F)c6)c5)n34)cn2)n(C)n1,NCLHQIWOJUAKIQ-UHFFFAOYSA-N,3,1,0.298,86,151,452.457,3.282,6,0.404,0.7,1.0,0.02743986018778699,0.1758018641628401,0.3542080734699472,0.33326194229319445,0.2226779350284422
EOS-3-14401,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)cn2)n1,MFRBCTOUQPSDPW-UHFFFAOYSA-N,3,1,0.276,99,286,436.443,1.839,6,0.406,0.69,1.0,0.07867863751627716,0.06680487972037558,0.049234116921389896,0.04361421424165581,0.05958296209992461
EOS-3-14402,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncnn5)n34)cc2F)nc1,PUCSNWSXRXUJLZ-UHFFFAOYSA-N,3,1,0.517,20,779,429.419,2.502,5,0.401,0.67,1.0,0.8573778356521143,0.8202830511959427,0.2014855047632102,0.2070711397436776,0.5215543828387362
EOS-3-14404,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)cn1,YGAGBHHXQABHPR-UHFFFAOYSA-N,3,1,0.461,73,242,436.357,3.035,5,0.387,0.74,1.0,0.8552104036734973,0.845367007059146,0.6522685216914537,0.6304828318826674,0.7458321910766912
EOS-3-14405,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1,IWWVJUQYWCJDGA-UHFFFAOYSA-N,3,1,0.299,98,890,422.416,1.829,6,0.45,0.65,1.0,0.10974230690151464,0.07753066959084368,0.06451751079432527,0.077522102666027,0.08232814748817764
EOS-3-14406,Cn1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(-c2cccnc2)n1,NYYNROBOHQSGDO-UHFFFAOYSA-N,3,1,0.512,89,51,433.422,4.103,5,0.401,0.78,1.0,0.48648995956411484,0.4499520252210267,0.805188129668974,0.735247755465698,0.6192194674799534
EOS-3-14407,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cocn5)cn4)n23)nc1,XODPNEPJOKPMMN-UHFFFAOYSA-N,3,1,0.461,33,53,429.4,1.57,5,0.422,0.65,1.0,0.3503872250017134,0.13297580700431774,0.07296449866355972,0.029230347474470564,0.14638946953601534
EOS-3-14408,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)nn1,ODFKLEHWYNHLNE-UHFFFAOYSA-N,3,1,0.543,58,981,428.431,3.107,5,0.406,0.72,1.0,0.8342728394215613,0.8242581043108765,0.36151566033856486,0.33006647933657735,0.5875282708518951
EOS-3-14409,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nncc(C)n5)ncc4Cl)n23)cc1,LZEFRQJYQLKUHD-UHFFFAOYSA-N,3,1,0.512,89,250,444.886,3.888,5,0.402,0.69,1.0,0.740019532588582,0.7712117058460695,0.3952607771914194,0.40645774792680417,0.5782374408882188
EOS-3-14410,COC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)c(Cl)c1,XFOYGWDDKCGMQS-UHFFFAOYSA-N,3,1,0.506,68,900,464.791,3.619,4,0.412,0.7,1.0,0.8847748612158179,0.8384192310328284,0.8620125419779316,0.665204578164622,0.8126028030978001
EOS-3-14411,Cn1nccc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)n1,HMHUSEQBWAVZGJ-UHFFFAOYSA-N,3,1,0.343,38,865,431.463,3.711,6,0.419,0.71,1.0,0.06865533548077582,0.034182030018504554,0.36891748338016583,0.3493506270988966,0.20527636899458568
EOS-3-14412,Cc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1C,NJOYSANYUFMENK-UHFFFAOYSA-N,3,1,0.5,61,121,433.422,4.164,5,0.414,0.82,1.0,0.387225001713385,0.4808357891851141,0.6108388732780481,0.6335326571174011,0.5281080803234871
EOS-3-14413,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)nn1,FPUMDALMFYMVEW-UHFFFAOYSA-N,3,1,0.316,76,387,432.451,3.106,6,0.418,0.69,0.999,0.016071550956068808,0.015968747858268795,0.1588564868754712,0.17915153176615722,0.0925120793639915
EOS-3-14414,COc1cc(-c2nnc3cncc(OCCc4cncnn4)n23)ccc1-c1ccccn1,QJBWBACQBCSNSU-UHFFFAOYSA-N,3,1,0.474,15,777,426.44,2.668,5,0.387,0.72,1.0,0.555188129668974,0.3235813172503598,0.21896203138921252,0.16804879720375573,0.3164450688780755
EOS-3-14415,Cc1nccc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)n1,DQWMHFPTJKOZBJ-UHFFFAOYSA-N,3,1,0.472,15,846,444.886,3.622,5,0.391,0.71,1.0,0.7669539442121855,0.7625162771571516,0.24407168802686588,0.2689243369200192,0.5106165615790556
EOS-3-14416,Clc1cncc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)n1,CDURUFMUNMLETH-UHFFFAOYSA-N,3,1,0.5,20,300,430.859,3.313,5,0.404,0.67,1.0,0.7431721609211157,0.7840021245973545,0.2654204646700021,0.3082465218285244,0.5252103180042491
EOS-3-14417,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cc4F)n23)cc1,DRPILADHDZWZCX-UHFFFAOYSA-N,3,1,0.363,62,341,468.467,4.691,6,0.405,0.82,1.0,0.3035004454800905,0.31367795216229183,0.6932955246384758,0.7636899458570352,0.5185409670344734
EOS-3-14418,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)nc1,JIVQROXVRZYOLH-UHFFFAOYSA-N,3,1,0.292,9,98,444.502,4.624,6,0.394,0.83,1.0,0.046321362483722844,0.04412822973065588,0.49141594133369887,0.4850335823452813,0.26672477897333974
EOS-3-14419,Fc1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5OC(F)F)nn4)n23)cc1F,CPIRXODFRMJLIR-UHFFFAOYSA-N,3,1,0.4,22,730,441.348,3.919,5,0.385,0.76,1.0,0.2713916112672195,0.6165701459803988,0.9376242204098417,0.9410766911109588,0.6916656671921048
EOS-3-14420,Cc1cc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)ccc1Br,GIENBEZUNCMMPN-UHFFFAOYSA-N,3,1,0.432,23,646,431.696,5.246,4,0.445,0.85,1.0,0.5396477280515386,0.7083733123158111,0.970444109382496,0.9789939003495305,0.799364762524844
EOS-3-14421,CCOc1ccccc1-c1nnc2cncc(OCc3ncc(-c4ccc(F)nn4)cn3)n12,IIWCUJOREAOIHV-UHFFFAOYSA-N,3,1,0.527,72,946,444.43,3.155,5,0.373,0.71,0.989,0.5662822973065589,0.45873312315811116,0.3058649167294908,0.23637002261668152,0.39181258995271057
EOS-3-14422,N#CC1(Cn2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nn2)CC1,FBPZXQIFUGHVTO-UHFFFAOYSA-N,3,1,0.262,63,108,426.444,1.641,6,0.491,0.6,0.999,0.040555822082105404,0.047769172777739705,0.0022274004523336302,0.018504557604002467,0.0272642382290453
EOS-3-14423,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cc2)nc1,AMTVGVUKLJIRQS-UHFFFAOYSA-N,3,1,0.329,69,898,428.459,4.372,6,0.411,0.77,1.0,0.13432081420053457,0.10990507847303133,0.6311767527928175,0.6453207456651361,0.38018084778287986
EOS-3-14424,Cc1nn(C)cc1-c1nnc(COc2cncc3nnc(-c4ccc(F)cn4)n23)s1,KYHUHQUEABZWAJ-UHFFFAOYSA-N,3,1,0.418,53,105,423.437,2.465,5,0.424,0.7,1.0,0.29312589952710577,0.3085292303474745,0.031646220272770885,0.03866253169762182,0.16799097046124323
EOS-3-14425,c1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6cccnn6)cn5)n34)cn2)cc1,HLJBPIAAFHHHPS-UHFFFAOYSA-N,3,1,0.375,30,363,444.458,4.498,6,0.383,0.8,1.0,0.4741792886025632,0.3619954081282983,0.505208690288534,0.4787026249057638,0.4550215029812898
EOS-3-14426,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)c(Cl)c1,MKELISVSRQJLAZ-UHFFFAOYSA-N,3,1,0.505,44,130,447.861,4.057,5,0.387,0.73,1.0,0.7838821876499212,0.7840106915221712,0.7271091768898637,0.7662514563772188,0.7653133781097937
EOS-3-14427,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nccc(-c5ncccn5)n4)n23)cn1,UMVOUANRANNRDN-UHFFFAOYSA-N,3,1,0.387,7,242,466.465,1.904,6,0.377,0.73,1.0,0.3664587759577822,0.1632684531560551,0.011899458570351587,0.01106846686313481,0.1381737886368309
EOS-3-14428,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5cn(-c6cccnc6)cn5)n34)cn2)c1,HVOQMWHWSRROGQ-UHFFFAOYSA-N,3,1,0.307,39,72,435.426,3.635,6,0.417,0.66,1.0,0.018821533822219176,0.11584195737098212,0.5162257556027688,0.5763055993420602,0.30679871153450755
EOS-3-14429,COc1ncc(-c2ccc(C#N)cn2)cc1COc1cncc2nnc(-c3cnccn3)n12,RSLXTZVOFLSCDE-UHFFFAOYSA-N,3,1,0.376,7,62,437.423,2.498,5,0.389,0.72,1.0,0.44093105338907546,0.24738708793091632,0.3503529573024467,0.24224693304091563,0.32022950791583854
EOS-3-14430,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)c1,GCBOIFJHIQQERI-UHFFFAOYSA-N,3,1,0.297,99,356,438.39,1.82,6,0.4,0.64,0.996,0.00042834624083339047,0.06306970050030841,0.1343636488246179,0.23345726817901447,0.10782974093619355
EOS-3-14431,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccco4)n23)nc1,OBPCOXOQBMMPEC-UHFFFAOYSA-N,3,1,0.293,99,892,423.4,2.094,6,0.414,0.72,1.0,0.13432938112535125,0.06681344664519225,0.04413679665547255,0.061570488657391544,0.0767125282708519
EOS-3-14432,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(C)n5)n34)c2)nc1,XFBZZEDJDNNZEE-UHFFFAOYSA-N,3,1,0.396,53,873,424.468,3.277,5,0.409,0.74,0.998,0.427275375231307,0.19280720992392572,0.18460009594955795,0.139983551504352,0.23616655815228565
EOS-3-14433,N#Cc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)cn1,AJVCJOHQVWXRNN-UHFFFAOYSA-N,3,1,0.415,46,119,425.387,2.628,5,0.417,0.67,1.0,0.5799551093139607,0.5973888013158797,0.5497652662600233,0.5237218148173531,0.5627077479268042
EOS-3-14434,CNC(=O)c1ccc(-c2nnc3cncc(Cc4nnc(-c5cncc(Cl)c5)nn4)n23)cc1,ABOYZDGCJCXDPJ-UHFFFAOYSA-N,3,1,0.427,85,784,458.873,2.037,5,0.419,0.6,1.0,0.20911863477486123,0.21162874374614488,0.07513193064217669,0.09778287985744637,0.1484155472551573
EOS-3-14435,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)n2)cc1,AVDDURIODMXNHO-UHFFFAOYSA-N,3,1,0.341,3,118,452.428,4.379,6,0.395,0.75,0.949,0.02399595641148653,0.21658042629017887,0.7062915495853609,0.7899304365704887,0.43419959221437876
EOS-3-14436,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)cc1F,HGVXMBXIUAUMRN-UHFFFAOYSA-N,3,1,0.302,3,783,452.428,4.379,6,0.395,0.75,1.0,0.03745459529847166,0.22717771228839695,0.7945994105955726,0.8321996436159276,0.47285784044959217
EOS-3-14437,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,LCTUYCFQWVQUFX-UHFFFAOYSA-N,3,1,0.553,4,71,429.871,4.184,5,0.413,0.73,1.0,0.5690237132478926,0.6301487218148174,0.5764341032143102,0.5602254814611747,0.5839580049345487
EOS-3-14438,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,YAOKGCSUJHHVFA-UHFFFAOYSA-N,3,1,0.506,16,55,429.871,4.184,5,0.413,0.73,1.0,0.6577856212733877,0.6496727434720033,0.62548831471455,0.6069923240353643,0.6349847508738263
EOS-3-14439,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cc4F)n23)nc1,SEACBTFFFRRGQG-UHFFFAOYSA-N,3,1,0.318,52,523,469.455,4.086,6,0.39,0.82,0.999,0.2420413268453156,0.2728137207867864,0.5362894935234048,0.6304913988074841,0.42040898499074775
EOS-3-14440,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)nc2)c1,CYZXKUUZBUGAFV-UHFFFAOYSA-N,3,1,0.297,10,664,452.869,3.544,6,0.399,0.7,1.0,0.0014563772188335275,0.109913645397848,0.44608834212870946,0.5700517442258927,0.2818775272428209
EOS-3-14441,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cc1=O,RDGYXBLPIBLURC-UHFFFAOYSA-N,3,1,0.642,43,11,462.872,3.924,5,0.393,0.76,1.0,0.8191864848194093,0.6642536495099719,0.8351123980535947,0.8281646220272771,0.7866792886025633
EOS-3-14442,Cn1cnc(-c2cccc(-c3nnc4cncc(COc5ccc(F)cc5Cl)n34)c2)cc1=O,RVXDRHREHYTVLL-UHFFFAOYSA-N,3,1,0.385,14,189,462.872,3.924,5,0.393,0.76,1.0,0.48649852648893155,0.5307209923925708,0.7883541224042218,0.792217805496539,0.6494478616955657
EOS-3-14443,Cn1cc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)cn1,LVZALABGHJPRJD-UHFFFAOYSA-N,3,1,0.274,70,813,440.496,3.111,6,0.415,0.71,1.0,0.012927489548351724,0.025854979096703447,0.12307244191624975,0.11067610170653143,0.06813275306695908
EOS-3-14444,Cc1ccc(-c2ccnc(-c3nnc4cncc(COc5ccc(Cl)c(F)c5)n34)c2)nn1,QJOLLRGPDHOFHS-UHFFFAOYSA-N,3,1,0.373,14,189,447.861,4.323,5,0.396,0.76,1.0,0.45722534439037765,0.5217257213350696,0.7271177438146803,0.7325320402988144,0.6096502124597355
EOS-3-14445,Cc1ccnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)cn2)n1,GZPCJKWORPCMOO-UHFFFAOYSA-N,3,1,0.578,59,232,447.861,4.323,5,0.396,0.76,1.0,0.9693218422315126,0.9666318278390789,0.6798625865259407,0.6970649715578096,0.8282203070385854
EOS-3-14446,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)n(C)n2)n1,SHXDNDCSSFQKHQ-UHFFFAOYSA-N,3,1,0.448,31,477,431.435,2.446,5,0.403,0.72,1.0,0.3433794805016791,0.2571276814474676,0.08657734219724487,0.08111164416421081,0.1920490370776506
EOS-3-14447,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c(F)c2)cn1,JRRGBVZGVBBDLV-UHFFFAOYSA-N,3,1,0.554,4,10,435.85,3.958,5,0.415,0.72,1.0,0.5163885271742855,0.6642622164347886,0.7946079775203893,0.7945308751970392,0.6924473990816257
EOS-3-14448,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnnn6C)cn5)n34)cc2F)cn1,YGSATJJOKAFRIX-UHFFFAOYSA-N,3,1,0.314,86,654,466.444,2.343,6,0.38,0.68,1.0,0.142536495099719,0.25713624837228427,0.10093550818998012,0.12676478651223358,0.15684325954355424
EOS-3-14449,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)ncn2)cn1,WUNDWENNPAPQCL-UHFFFAOYSA-N,3,1,0.267,99,841,436.443,1.839,6,0.406,0.63,1.0,0.043425741895689124,0.03419059694332122,0.07735933109451032,0.06475738468919197,0.05493326365567816
EOS-3-14450,Cn1cnnc1-c1nccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,REMZQEPYDRPXOF-UHFFFAOYSA-N,3,1,0.315,98,882,436.443,1.839,6,0.406,0.63,1.0,0.06866390240559249,0.023481940922486465,0.028279418819820438,0.02741415941333699,0.0369598553903091
EOS-3-14451,Cc1cc(C(=O)NC2(F)CC2)ccc1-c1nnc2cncc(-c3ccc(-c4ccno4)nc3)n12,AGAOZUSXGIHIMU-UHFFFAOYSA-N,3,1,0.309,52,582,455.453,4.006,6,0.399,0.78,0.994,0.25282708518950037,0.22180625042834623,0.3094544582276746,0.34609519566856284,0.282545747378521
EOS-3-14452,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)cn1,VTRGEBLKAYLQGD-UHFFFAOYSA-N,3,1,0.443,2,419,432.394,3.204,5,0.417,0.69,1.0,0.7867349736138716,0.64968131039682,0.7193389760811459,0.6395038037146186,0.698814765951614
EOS-3-14453,N#Cc1ccc(-c2nnc3cncc(-c4ncn(-c5cc(Cl)ccc5F)n4)n23)cc1,MUQXNALVRFNIKR-UHFFFAOYSA-N,3,1,0.43,22,681,416.807,3.703,5,0.444,0.8,0.984,0.09248852032074567,0.41439928723185526,0.7946165444452059,0.8780412583099171,0.544886402576931
EOS-3-14454,Cn1ncnc1-c1ccc(-c2nnc3cncc(-n4cc(-c5ccc(F)c(F)c5)nn4)n23)cc1,RLSDKYBZPJQSLN-UHFFFAOYSA-N,3,1,0.552,98,882,456.42,3.113,6,0.401,0.69,1.0,0.006776437529984237,0.18851518059077513,0.5052172572133506,0.5572441916249743,0.31443826673977104
EOS-3-14455,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(Cl)cn5)cn4)n23)cn1,IACKJYROXNWYRG-UHFFFAOYSA-N,3,1,0.422,2,412,416.832,3.792,5,0.435,0.83,1.0,0.6611952573504215,0.7035929682681105,0.3842951134260846,0.35552737989171407,0.5261526797340826
EOS-3-14456,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)n1,RVGUOWZZTZYWOX-UHFFFAOYSA-N,3,1,0.561,24,232,433.834,4.015,5,0.386,0.74,1.0,0.8710078130354328,0.9510999931464601,0.6660955383455555,0.7217291481049962,0.8024831231581111
EOS-3-14457,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)nc1,DVMZJIXWNYVTSR-UHFFFAOYSA-N,3,1,0.27,10,195,419.452,3.44,6,0.435,0.76,1.0,0.002201699677883627,0.010220341306284696,0.35036152422726335,0.34935919402371324,0.17803568980878623
EOS-3-14458,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cc(F)cc(F)c6)n5)n34)cc2)nn1,UBMMKQSFVIHGGB-UHFFFAOYSA-N,3,1,0.313,98,973,457.408,2.508,6,0.396,0.67,1.0,0.028604961962853816,0.2218148173531629,0.27271091768898637,0.3719758755397163,0.22377664313617984
EOS-3-14459,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(CCF)nc(C(F)(F)F)c4)n23)nc1,IDWVIPDXDMNYCY-UHFFFAOYSA-N,3,1,0.413,68,457,461.379,2.79,4,0.42,0.65,1.0,0.5633695428688917,0.357540607223631,0.7751096566376533,0.5472808580631896,0.5608251661983414
EOS-3-14460,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ncccc5Cl)n4C)n23)cc1,CBQWHFOIDTYVES-UHFFFAOYSA-N,3,1,0.342,8,882,469.9,3.098,6,0.386,0.73,1.0,0.09491296004386265,0.23692687272976493,0.056644506887807554,0.12472585840586663,0.12830254951682543
EOS-3-14461,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)cn1,JLGHVRSFAJCFOQ-UHFFFAOYSA-N,3,1,0.448,4,354,443.402,1.855,5,0.388,0.68,1.0,0.5064594613117676,0.3524518538825303,0.2405506819272154,0.17360873140977315,0.3182676821328216
EOS-3-14463,N#Cc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5cncc(F)c5)c4)n23)c1,VZRUKYMOWLVAJX-UHFFFAOYSA-N,3,1,0.466,2,884,441.401,3.977,5,0.407,0.75,1.0,0.882710232335001,0.8125214173120416,0.940399904050442,0.9331522856555411,0.8921959598382564
EOS-3-14464,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)c5)n34)cc2)n1C,JSAQKPICTSSKEB-UHFFFAOYSA-N,3,1,0.333,25,508,448.494,3.358,6,0.407,0.69,1.0,0.14504660407100267,0.07048009046672607,0.19465766568432596,0.17079878006990612,0.1452457850729902
EOS-3-14465,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(C)(F)F)nc5)n34)nc2)nn1,HJDPLYZPFMCEHN-UHFFFAOYSA-N,3,1,0.39,82,336,430.422,4.125,5,0.423,0.72,0.979,0.2445942704406826,0.34770577753409637,0.7864865327941882,0.6132890137756151,0.49801889863614557
EOS-3-14466,Fc1cc(-c2nnc3cncc(-c4nccc(-c5ccccn5)n4)n23)cnc1-c1cccnc1,DEXWFMOYDMRCOP-UHFFFAOYSA-N,3,1,0.313,32,191,447.437,3.906,6,0.4,0.69,0.999,0.284790281680488,0.37652491261736687,0.37684188883558356,0.4320814200534576,0.36755962579672397
EOS-3-14467,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3cnc(-c4ccnnc4)cn3)n12,IAYQMAIEOZQFKY-UHFFFAOYSA-N,3,1,0.279,86,72,449.413,2.696,6,0.395,0.63,1.0,0.26340723733808513,0.3035604139538071,0.4166009869097389,0.4509971900486601,0.3586414570625728
EOS-3-14468,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cn1,CRISBTUSTHFZTK-UHFFFAOYSA-N,3,1,0.33,10,871,439.418,2.369,6,0.411,0.62,0.813,0.02498971969022,0.1885237475155918,0.13754197793160167,0.1953430196696594,0.13659961620176822
EOS-3-14469,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4cccc(O)c4)n23)n1,OCZJFBOJTCIHRN-UHFFFAOYSA-N,3,1,0.469,44,531,443.442,3.418,5,0.425,0.68,1.0,0.667192104722089,0.48084435610993076,0.44609690905352617,0.41303714618600507,0.5017926290178878
EOS-3-14470,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(F)c5)n4)n23)c(C(F)F)c1,MLECYTYGKGLWGY-UHFFFAOYSA-N,3,1,0.364,29,704,462.395,3.486,5,0.424,0.68,0.998,0.23105852923034748,0.4049756699335207,0.727126310739497,0.6770526351860736,0.5100532862723597
EOS-3-14471,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c1,NVSFADOZBUTESS-UHFFFAOYSA-N,3,1,0.343,10,219,466.896,3.759,6,0.386,0.76,1.0,0.13185353985333426,0.337785278596395,0.30946302515249124,0.4320899869782743,0.30279795764512374
EOS-3-14472,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2)nc1,UJXYXSNGCDBADE-UHFFFAOYSA-N,3,1,0.321,42,7,436.414,3.235,6,0.447,0.62,1.0,0.28210026728805426,0.2883284216297718,0.3804999657323007,0.3879874580220684,0.3347290281680488
EOS-3-14473,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(C)ncc5F)n34)ccn2)cn1,CUHLMRAQEMLBSY-UHFFFAOYSA-N,3,1,0.518,97,43,427.443,3.978,5,0.419,0.77,1.0,0.7695497224316359,0.6301572887396341,0.6686741827153725,0.5406329244054554,0.6522535295730244
EOS-3-14474,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(C)n6)nn5)n34)cc2)nc1,ZWAXZIVZRKPVGW-UHFFFAOYSA-N,3,1,0.346,38,193,445.49,4.113,6,0.402,0.73,1.0,0.005859776574600782,0.02349050784730313,0.317130422863409,0.29882290453018984,0.16132590295387567
EOS-3-14475,COc1ccccc1-c1ncsc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,YAXPMICANJOBRU-UHFFFAOYSA-N,3,1,0.356,62,302,468.542,4.483,6,0.395,0.88,0.999,0.20349873209512714,0.12959187170173395,0.18777842505654171,0.20426975532862723,0.1812846960455075
EOS-3-14476,Cn1ncnc1-c1cc(Cl)c(COc2cncc3nnc(-c4ccc(F)cc4)n23)cn1,WPTNEOITZXODRK-UHFFFAOYSA-N,3,1,0.6,16,32,436.838,3.353,5,0.417,0.66,1.0,0.789382153382222,0.7712202727708861,0.5227109176889864,0.5949129600438626,0.6695565759714893
EOS-3-14477,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)ccn1,CFLQVRBIHFUHLR-UHFFFAOYSA-N,3,1,0.409,33,760,429.404,0.45,5,0.4,0.69,1.0,0.3189037763004592,0.06682201357000891,0.019301281611952572,0.009175176478651223,0.10355056199026798
EOS-3-14478,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cc1,XOCMMFPXMSGEPM-UHFFFAOYSA-N,3,1,0.667,90,636,413.8,2.094,4,0.48,0.78,1.0,0.6914365019532589,0.38584572681790147,0.25823281474881776,0.2540264546638339,0.397385374545953
EOS-3-14479,Cn1nnc(-c2cccc(Cc3cncc4nnc(-c5cc(F)c(Cl)cc5F)n34)c2)n1,XXSOCGRRSILJMO-UHFFFAOYSA-N,3,1,0.35,22,784,438.829,3.504,5,0.399,0.71,1.0,0.4110324857789048,0.5353899664176547,0.6933040915632924,0.7757778767733534,0.6038761051333013
EOS-3-14480,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)cn4)n23)cc1,NDEAHLFPKVCBCB-UHFFFAOYSA-N,3,1,0.57,97,335,415.844,3.876,5,0.43,0.84,1.0,0.8620982112260983,0.9456771297375094,0.5052258241381674,0.5700603111507093,0.7207653690631212
EOS-3-14481,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6(C)CC6)cc5)n34)cn2)no1,ZWDVTGXGENMSPL-UHFFFAOYSA-N,3,1,0.359,52,916,466.505,3.418,6,0.404,0.75,0.999,0.2035072990199438,0.10670104859159756,0.03425913234185457,0.044942087588239324,0.09735239188540881
EOS-3-14482,Cn1cncc1C(F)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,IQKLEHOPANRJAR-UHFFFAOYSA-N,3,1,0.33,62,302,467.508,4.143,6,0.405,0.77,1.0,0.21733431567404565,0.11912308957576588,0.6373620725104516,0.6132975807004317,0.3967792646151737
EOS-3-14483,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c(F)cn2)n1,UGHVQJOEBDWXBG-UHFFFAOYSA-N,3,1,0.374,33,760,458.417,1.559,5,0.395,0.65,1.0,0.5319888972654376,0.24739565485573298,0.11435131245288191,0.08112021108902748,0.24371401891577
EOS-3-14484,Cc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCc3ccc(F)c(F)c3)n12,WNOPBUJHMVUIIN-UHFFFAOYSA-N,3,1,0.625,59,294,448.408,4.553,5,0.393,0.81,1.0,0.927609485299157,0.9138510040435885,0.8731581111644164,0.8614214241655815,0.8940100061681859
EOS-3-14485,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccn2)nn1,ZKQQBHSCDQYBKJ-UHFFFAOYSA-N,3,1,0.553,16,391,448.849,3.718,5,0.4,0.69,1.0,0.897256870673703,0.9392005345761085,0.6137259269412652,0.6304999657323007,0.7701708244808443
EOS-3-14486,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,HEHUDVRXSRBDMO-UHFFFAOYSA-N,3,1,0.461,46,564,433.834,4.015,5,0.413,0.71,1.0,0.8245151120553766,0.7315297100952642,0.739865327941882,0.7585069563429512,0.7636042766088685
EOS-3-14487,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)n1,GNHRTDVXQBJFJI-UHFFFAOYSA-N,3,1,0.32,38,865,433.479,3.654,6,0.421,0.7,1.0,0.09032108834212871,0.01915564389006922,0.294976355287506,0.2629446233979851,0.16684942772942224
EOS-3-14488,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncn4)n23)cc1,GNPJAZGIIGIAEF-UHFFFAOYSA-N,3,1,0.447,89,463,483.467,2.649,6,0.371,0.91,1.0,0.4989034336234665,0.252347337399767,0.11140429031594819,0.12677335343705023,0.24735710369405797
EOS-3-14489,Cc1c(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cnn1C,MLVQXWIGFAKWMI-UHFFFAOYSA-N,3,1,0.456,2,36,432.875,3.523,5,0.419,0.75,1.0,0.39802789390720306,0.4096018093345213,0.47757179082996365,0.4380697005003084,0.43081779864299913
EOS-3-14490,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)cn1,PNLVJKVVUYJOEW-UHFFFAOYSA-N,3,1,0.436,89,463,479.504,2.818,6,0.374,0.84,1.0,0.3458895894729628,0.1364968131039682,0.08428997327119457,0.07173942841477624,0.15960395106572545
EOS-3-14491,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc(C)o5)c4)n23)cc1,IWEZXYNLGHMUPU-UHFFFAOYSA-N,3,1,0.362,62,124,411.425,3.176,5,0.483,0.86,1.0,0.2144215612363786,0.07404393119045988,0.26542903159481873,0.17080734699472278,0.18117546775409502
EOS-3-14492,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnnn6C)cc5)n34)c2)nn1,LPISRQDZVNEYQI-UHFFFAOYSA-N,3,1,0.284,98,63,436.443,1.839,6,0.406,0.67,1.0,0.030960866287437463,0.025863546021520117,0.1089541498183812,0.11068466863134808,0.06911580768967171
EOS-3-14493,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccncc5)n4)n23)cc1,LLFZJKJLXOHCCG-UHFFFAOYSA-N,3,1,0.316,8,973,422.416,1.624,6,0.416,0.7,1.0,0.0049431156192173255,0.014538071413885271,0.035518470289904736,0.042380577068055654,0.02434505859776575
EOS-3-14494,CCC(C)NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4)n23)nc1,VWQGMFXSDNLIGO-UHFFFAOYSA-N,3,1,0.347,63,364,456.432,3.114,4,0.475,0.57,1.0,0.24204989377013228,0.24227263381536562,0.5090124049071345,0.2393598793776986,0.30817370296758273
EOS-3-14495,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1F,BQOCUFBICPERLX-UHFFFAOYSA-N,3,1,0.482,51,196,436.838,3.353,5,0.417,0.67,1.0,0.8245236789801933,0.7712288396957029,0.4637276403262285,0.48504214927009803,0.6361305770680556
EOS-3-14496,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cnccn6)nn5)n34)cn2)ccn1,LFSYYQQQAHSSJU-UHFFFAOYSA-N,3,1,0.31,86,790,445.45,2.866,6,0.399,0.65,1.0,0.12043382907271606,0.10992221232266465,0.1434959906791858,0.14956994037420326,0.13085549311219244
EOS-3-14498,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)n1,BUUDFQMRWUCLDT-UHFFFAOYSA-N,3,1,0.5,55,786,429.871,4.184,5,0.413,0.76,1.0,0.7369782742786649,0.7176512918922624,0.5764426701391269,0.5537831539990405,0.6462138475772736
EOS-3-14499,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)nc1,MCRJIXXFVFOUJL-UHFFFAOYSA-N,3,1,0.422,27,412,432.394,4.077,5,0.409,0.75,1.0,0.7492375436913166,0.6642707833596052,0.6311853197176341,0.4850507161949147,0.6324360907408676
EOS-3-14500,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c1,ZWGULPMDYVKKIX-UHFFFAOYSA-N,3,1,0.321,9,498,447.437,3.906,6,0.4,0.7,0.999,0.1645963265026386,0.29374271811390584,0.5429716948804058,0.6480707285312864,0.41234536700705915
EOS-3-14501,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(C#N)c5)cc4)n23)cn1,OAZVVBRBIAZUIN-UHFFFAOYSA-N,3,1,0.349,9,774,455.485,4.187,6,0.392,0.77,1.0,0.16460489342745527,0.15944760468782126,0.6108474402028647,0.6305085326571174,0.3913521177438147
EOS-3-14502,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cc5F)n34)cn2)cn1,UESCBDIBTZKWCQ-UHFFFAOYSA-N,3,1,0.325,98,765,452.457,3.188,6,0.405,0.67,1.0,0.15372489891028715,0.2937512850387225,0.4242683846206566,0.4064663148516209,0.3195527208553218
EOS-3-14503,OCc1ncc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cn1,MFNNKFXUNSNLBF-UHFFFAOYSA-N,3,1,0.506,4,31,445.87,3.368,5,0.396,0.74,1.0,0.5244671372764033,0.5927283942156124,0.522719484613803,0.5173308889041189,0.5393114762524844
EOS-3-14504,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)c1,JQZNHWITPJBMCR-UHFFFAOYSA-N,3,1,0.581,84,159,430.418,4.148,5,0.403,0.77,1.0,0.822005003084093,0.7925604824892056,0.8135066136659584,0.8202402165718594,0.8120780789527791
EOS-3-14505,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)nc1,HFDOSXYDIXKMPI-UHFFFAOYSA-N,3,1,0.263,70,813,435.455,2.444,6,0.414,0.65,0.999,0.05094750188472346,0.03419916386813789,0.11741827153724899,0.09779144678226304,0.07508909601809334
EOS-3-14506,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cn4)n23)nc1,OLNPQMQTAZSNMJ-UHFFFAOYSA-N,3,1,0.263,70,813,435.455,2.444,6,0.414,0.65,0.999,0.05095606880954013,0.03420773079295456,0.11742683846206566,0.0978000137070797,0.07509766294291001
EOS-3-14507,Cn1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)cn2)cn1,OKDKFAHBBAJDHX-UHFFFAOYSA-N,3,1,0.245,86,421,435.455,2.444,6,0.414,0.65,1.0,0.039073744088821874,0.015977314783085464,0.1257453224590501,0.10412240422178055,0.0712296963881845
EOS-3-14508,Cc1ccc(-c2nnc3cncc(Cc4ccc(S(=O)(=O)N5CCN(C)CC5)nn4)n23)nn1,UQNOYOBNRCAOQY-UHFFFAOYSA-N,3,1,0.286,78,878,466.531,0.207,5,0.401,0.68,0.995,0.01372421355630183,0.002184565828250291,1.7133849633335617e-05,2.5700774450003426e-05,0.003987903502158865
EOS-3-14509,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)n(C)n1,KIVOBSIEVZHNQS-UHFFFAOYSA-N,3,1,0.343,98,882,449.482,2.753,6,0.403,0.64,1.0,0.09249708724556233,0.04413679665547255,0.06256425193612501,0.05280652456994037,0.06300116510177507
EOS-3-14510,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)nc3)n12,LMMIWGQNTZNXJY-UHFFFAOYSA-N,3,1,0.286,42,727,437.423,3.302,6,0.431,0.68,0.792,0.3140634637790419,0.16327702008087178,0.32788191350832707,0.2480553080666164,0.2633194263587143
EOS-3-14511,CCCOCc1cc(-c2cncc3nnc(-c4ccc(C(=O)NCC)cc4)n23)ccc1Cl,DTHMOHOEXFGOBD-UHFFFAOYSA-N,3,1,0.359,0,862,449.942,4.788,4,0.391,0.86,1.0,0.2714001781920362,0.28305976286752105,0.5628897950791584,0.46978445617161263,0.3967835480775821
EOS-3-14512,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)nn1,MDEPKSXOVQHVQF-UHFFFAOYSA-N,3,1,0.59,19,54,432.875,3.257,5,0.406,0.68,0.975,0.552737989171407,0.5217342882598862,0.3463693372626962,0.40982454937975465,0.45766654101843596
EOS-3-14513,Fc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccnnc5)c4)n23)c1,UZGCZIULLHQXEZ-UHFFFAOYSA-N,3,1,0.679,91,222,430.418,4.148,5,0.403,0.75,1.0,0.9574823521348776,0.9695017476526626,0.892844904393119,0.8919368103625522,0.9279414536358028
EOS-3-14514,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ncccc3F)n12,YIVMZMWXMHCLIK-UHFFFAOYSA-N,3,1,0.518,11,275,430.418,4.148,5,0.403,0.75,1.0,0.8710163799602495,0.9078198889726544,0.7751182235624701,0.7945394421218559,0.8371234836543076
EOS-3-14515,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,XRSNYPUQAWSXKJ-UHFFFAOYSA-N,3,1,0.536,97,183,432.846,4.62,5,0.403,0.79,1.0,0.8771245973545336,0.8579775203892811,0.8928534713179357,0.897488177643753,0.8813609416763759
EOS-3-14516,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)cn1,NDJZDUHATVKIGB-UHFFFAOYSA-N,3,1,0.266,99,813,435.455,2.444,6,0.414,0.64,1.0,0.026214789939003495,0.017519361250085668,0.11743540538688232,0.10843156740456446,0.06740028099513398
EOS-3-14517,CC(C)(O)c1ncc(-c2nnc3cncc(OCc4cccc(-c5nccs5)n4)n23)cn1,RYCMXDYIMSURBQ-UHFFFAOYSA-N,3,1,0.477,24,786,446.496,2.906,5,0.419,0.7,1.0,0.37565108628606675,0.3235898841751765,0.09134055239531218,0.028365088067987116,0.20473665273113562
EOS-3-14518,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnc5F)nn4)n23)cc1,IPAGFAJRXUHMSO-UHFFFAOYSA-N,3,1,0.388,89,310,468.452,3.467,6,0.376,0.79,1.0,0.534764580906038,0.34286546501267906,0.2476098279761497,0.26616578712905214,0.3478514152559797
EOS-3-14519,CCc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)nn1,ITWYIMOVSHYFLT-UHFFFAOYSA-N,3,1,0.506,4,534,428.431,3.319,5,0.406,0.72,1.0,0.7369868412034816,0.754232060859434,0.2842248646425879,0.25403502158865054,0.5073696970735384
EOS-3-14520,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)c5)nc4)n23)cn1,IYBJCAWLQBCHDZ-UHFFFAOYSA-N,3,1,0.553,97,430,429.871,4.184,5,0.387,0.8,1.0,0.6885580152148585,0.6936382016311425,0.6580169282434377,0.6133061476252485,0.6633798231786718
EOS-3-14521,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C5CCC5)cn4)n23)cn1,JUZPTLKREKKPRN-UHFFFAOYSA-N,3,1,0.318,63,66,411.469,3.408,6,0.54,0.84,0.999,0.12044239599753273,0.08105167569049414,0.020115139469536015,0.08805085326571174,0.07741501610581866
EOS-3-14522,FC(F)c1cnc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cn1,BNIQWLDPYXBKER-UHFFFAOYSA-N,3,1,0.592,68,255,423.21,4.405,4,0.474,0.74,1.0,0.895603454184086,0.9680539373586458,0.9411023918854088,0.9434240285107258,0.9370459529847166
EOS-3-14523,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)nc1,MUGALFDFLJUKHP-UHFFFAOYSA-N,3,1,0.306,70,968,450.466,3.316,6,0.397,0.68,0.9,0.07263895552052635,0.05916318278390789,0.08913028579261188,0.06628229730655884,0.07180368035090123
EOS-3-14524,Cc1cc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)nc2)on1,VNRVFWTWQMNGAZ-UHFFFAOYSA-N,3,1,0.302,32,543,451.425,3.808,6,0.394,0.73,1.0,0.19805873483654307,0.27282228771160305,0.3389075457473785,0.40027242820917003,0.30251524912617367
EOS-3-14525,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)n1,ZEVNZLVIIXZTMC-UHFFFAOYSA-N,3,1,0.303,76,387,451.429,2.64,6,0.372,0.68,0.903,0.15904495922143788,0.2422812007401823,0.15886505380028784,0.21323932561167844,0.19335763484339663
EOS-3-14526,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(CO)c5)nc4)n23)cc1)N1CCCC1,TZOWZDDAQHOTOH-UHFFFAOYSA-N,3,1,0.354,52,376,477.528,3.644,6,0.412,0.81,0.996,0.06867246933040916,0.010228908231101364,0.027191419368103625,0.09190596943321225,0.0494996915907066
EOS-3-14527,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ncn2)n1,YSVJUEWTAMWZLP-UHFFFAOYSA-N,3,1,0.536,44,488,435.369,3.64,5,0.389,0.75,0.999,0.8115019532588582,0.713067987115345,0.8497190048660133,0.8459495579466795,0.8050596257967241
EOS-3-14528,COc1cncnc1-c1cnnc(COc2cncc3nnc(-c4ccc(F)cc4)n23)c1,XPZMLUQBQYHHKR-UHFFFAOYSA-N,3,1,0.506,4,534,430.403,2.765,5,0.401,0.66,1.0,0.7838907545747379,0.8125299842368583,0.43134466451922415,0.3687632787334658,0.5991321705160715
EOS-3-14529,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(F)nc5)n4)n23)cn1,CMODTDRJJFKLAV-UHFFFAOYSA-N,3,1,0.356,82,514,428.391,1.599,5,0.423,0.64,0.649,0.16719210472208895,0.19741621547529298,0.10614419847851415,0.09586388869851278,0.14165410184360222
EOS-3-14530,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)nn2)cn1,RMDMKMNLNIPPMJ-UHFFFAOYSA-N,3,1,0.284,86,312,439.418,2.369,6,0.384,0.68,1.0,0.004566170927283942,0.09693475430059625,0.29498492221232264,0.30188129668974023,0.17459178603248576
EOS-3-14531,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cc1,AFGBTRCHNCVYCW-UHFFFAOYSA-N,3,1,0.305,98,882,439.418,2.369,6,0.384,0.68,1.0,0.006785004454800904,0.11585052429579878,0.23350866972791448,0.2570248783496676,0.15329226920704545
EOS-3-14532,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)nn1,ZAJQYPTZJCSPEZ-UHFFFAOYSA-N,3,1,0.294,86,812,435.455,2.444,6,0.414,0.66,0.969,0.05773250633952436,0.0234990747721198,0.11435987937769858,0.09780858063189637,0.07335001028030977
EOS-3-14533,Cc1ccc(-c2nnc3cncc(OCc4ncc(F)c(C(F)(F)F)n4)n23)c(Cl)c1,UCPJTFNSYIVTFI-UHFFFAOYSA-N,3,1,0.494,68,255,438.772,4.28,4,0.443,0.72,1.0,0.9346257967240079,0.9490096634911932,0.9555633609759441,0.9171064354739222,0.9390763141662668
EOS-3-14534,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)c1,ZSJLJMKHFUJKEY-UHFFFAOYSA-N,3,1,0.35,8,973,442.83,3.137,6,0.404,0.7,1.0,0.11231238434651497,0.20679699814954425,0.17506510862860666,0.3052994996915907,0.19986849770406417
EOS-3-14535,Cc1nc(-c2cnc(F)c(F)c2)cc(-c2nnc3cncc(Cc4ccccc4F)n23)n1,QUPLPKBGZCDOLW-UHFFFAOYSA-N,3,1,0.324,44,500,433.397,3.96,5,0.399,0.75,0.999,0.30350901240490713,0.4189911589335892,0.7775512302104036,0.7989942430265232,0.5747614111438558
EOS-3-14536,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nn[nH]n6)nn5)n34)cc2)nn1,UMFDUTUVCKLMRZ-UHFFFAOYSA-N,3,1,0.316,98,63,455.833,1.934,6,0.413,0.65,0.946,0.24205846069494893,0.30853779727229114,0.06257281886094168,0.13324138167363445,0.18660261462545405
EOS-3-14537,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n2)cc1,QOEIGRAEDDYEDV-UHFFFAOYSA-N,3,1,0.314,39,144,453.416,3.774,6,0.401,0.71,0.998,0.0334795421835378,0.15166027002947022,0.4674713864711123,0.6100250154204647,0.31565905352614626
EOS-3-14538,Clc1ncc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)cn1,HENOMIYXWKZJSD-UHFFFAOYSA-N,3,1,0.321,42,608,454.841,3.409,6,0.364,0.74,1.0,0.23937701322733193,0.347714344458913,0.25480604482215063,0.2897076965252553,0.28290127475841276
EOS-3-14539,Fc1cc(F)cc(-n2cnc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)n2)c1,QDGCMOPJSRHTGB-UHFFFAOYSA-N,3,1,0.468,22,681,444.327,3.731,5,0.394,0.69,0.902,0.1289664861901172,0.4234031252141731,0.9566856281269276,0.9323983962716743,0.610363408950723
EOS-3-14540,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3ncc(F)cc3F)n12,BHEPZRHRXSVLEG-UHFFFAOYSA-N,3,1,0.478,73,300,447.405,3.509,5,0.39,0.71,1.0,0.7838993214995545,0.6642793502844219,0.6407031731889521,0.5372061544787883,0.6565219998629293
EOS-3-14541,c1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)nc1,JUQIBLRNXMTCDQ-UHFFFAOYSA-N,3,1,0.352,38,7,431.463,3.624,6,0.444,0.68,1.0,0.11531080803234871,0.11913165650058255,0.36892605030498254,0.362466588993215,0.2414587759577822
EOS-3-14542,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)ncn1,IUDCMNZUZPKSLK-UHFFFAOYSA-N,3,1,0.427,4,506,430.859,3.579,5,0.39,0.72,1.0,0.5772736618463437,0.6211106161332328,0.3689346172297992,0.3589541498183812,0.48156826125693925
EOS-3-14543,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)n1,YKPIMIUCGWWAJZ-UHFFFAOYSA-N,3,1,0.583,19,159,444.445,4.456,5,0.385,0.78,1.0,0.8937958330477692,0.8049139880748406,0.734939346172298,0.7558597765746008,0.7973772359673771
EOS-3-14544,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)c(F)c1,JAYMAQVPCSZIRY-UHFFFAOYSA-N,3,1,0.54,26,619,433.422,3.487,5,0.408,0.69,1.0,0.8342814063463779,0.6888921252827085,0.7661400863546022,0.7296706874100473,0.7547460763484339
EOS-3-14545,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1,VHDBUOMOPRLUDA-UHFFFAOYSA-N,3,1,0.324,38,608,431.463,3.711,6,0.419,0.68,1.0,0.18119902679734082,0.06307826742512508,0.3243694743334932,0.2988314714550065,0.21686956000274138
EOS-3-14546,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nc1,VLALPFOVAISASR-UHFFFAOYSA-N,3,1,0.307,38,787,431.463,3.711,6,0.419,0.68,1.0,0.17256356658213967,0.06683058049482558,0.37685045576040027,0.36247515591803164,0.24467993968884932
EOS-3-14547,Cn1cc(Cl)cc(OCc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1=O,OQDHKSFANIYADS-UHFFFAOYSA-N,3,1,0.452,66,225,417.803,3.66,4,0.495,0.73,1.0,0.5799636762387773,0.6692395997532725,0.8939671715441025,0.8879103556987183,0.7577702008087176
EOS-3-14548,Fc1cc(-c2ccnnc2)cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,WJMXCZNCDASTMZ-UHFFFAOYSA-N,3,1,0.598,4,439,433.834,4.015,5,0.386,0.75,1.0,0.5216743197861695,0.6396922760605853,0.7993540538688233,0.8202487834966761,0.6952423583030636
EOS-3-14549,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)c2)nn1,MOUQCVNTGPMASN-UHFFFAOYSA-N,3,1,0.419,44,692,431.406,3.809,5,0.418,0.69,0.999,0.5633781097937085,0.5398961688712219,0.7425896100335824,0.7138133095743951,0.639919299568227
EOS-3-14550,c1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccnnc6)ncn5)n34)cc2)nc1,CUXCPYBUNFNKQT-UHFFFAOYSA-N,3,1,0.293,38,608,430.435,3.162,6,0.415,0.68,1.0,0.1318621067781509,0.10993077924748132,0.3389161126721952,0.3235813172503598,0.2260725789870468
EOS-3-14551,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccnc4OC4CCNCC4)n23)cc1,LTSRQVOPCHPUNY-UHFFFAOYSA-N,3,1,0.295,61,269,453.51,2.78,6,0.433,0.67,1.0,0.092505654170379,0.0019446919333835925,0.02944452059488726,0.06811561921732574,0.048002621478993895
EOS-3-14552,c1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)cn1,LRSXOEDATJVVNP-UHFFFAOYSA-N,3,1,0.253,86,953,431.423,2.557,6,0.41,0.67,0.942,0.05600198752655747,0.07048865739154273,0.14350455760400246,0.17081591391953943,0.11020277911041051
EOS-3-14553,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(Cl)s5)ccn4)n23)nc1,PLRVOMUSYFHWKA-UHFFFAOYSA-N,3,1,0.456,46,128,440.851,3.471,5,0.409,0.69,1.0,0.4688934959906792,0.5307295593173874,0.29499348913713935,0.35896271674319785,0.413394815297101
EOS-3-14554,Fc1cc(-c2cncnn2)cc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)c1,NORQOCBJFRYZBC-UHFFFAOYSA-N,3,1,0.261,70,151,448.425,3.301,6,0.4,0.67,1.0,0.20080015077787677,0.23693543965458158,0.5825423206085943,0.6100335823452814,0.4075778733465835
EOS-3-14555,Cc1nnc(-c2ccccc2-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)o1,QTYDQOOKJALBHV-UHFFFAOYSA-N,3,1,0.31,98,369,435.451,3.612,6,0.413,0.7,1.0,0.10485059283119731,0.07405249811527655,0.14965560962236996,0.14219381810705228,0.11768812966897403
EOS-3-14556,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)s4)n23)cc1,AYUSFQZDVAKVEJ-UHFFFAOYSA-N,3,1,0.353,38,865,436.504,4.377,6,0.408,0.76,1.0,0.05774107326434103,0.10670961551641422,0.295002056061956,0.3114591186347749,0.19272796586937152
EOS-3-14557,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cn4)n23)cc1,AAJFVWZKERLZEH-UHFFFAOYSA-N,3,1,0.333,38,193,436.504,4.377,6,0.408,0.76,1.0,0.08758823932561167,0.09694332122541292,0.35037009115208007,0.3656791857994654,0.22514520937564253
EOS-3-14558,Fc1ccc(-c2ncnnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,PXOCLUNUGGIJNE-UHFFFAOYSA-N,3,1,0.6,34,929,451.824,4.154,5,0.396,0.75,1.0,0.9335720649715578,0.9727314783085463,0.8226132547460764,0.8809540127475841,0.9024677026934411
EOS-3-14559,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)cn4)n23)cc1,ZZWOQYAQIPFHAM-UHFFFAOYSA-N,3,1,0.293,98,890,435.455,2.444,6,0.414,0.63,1.0,0.032125968062504284,0.04056438900692207,0.14634877664313617,0.14220238503186897,0.09031037968610788
EOS-3-14560,Fc1ccc(COc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cc1Cl,DMSNNSBNLDDIRP-UHFFFAOYSA-N,3,1,0.598,59,294,433.834,4.015,5,0.413,0.72,1.0,0.8509440751147967,0.8125385511616751,0.7349479130971147,0.7757864436981701,0.7935542457679392
EOS-3-14561,Cn1nc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1-c1cccnc1,JODYSAFVMJMZKP-UHFFFAOYSA-N,3,1,0.433,95,235,450.865,3.396,5,0.391,0.72,0.999,0.4248937701322733,0.4144078541566719,0.3989445548625865,0.4635820026043451,0.42545704543896923
EOS-3-14562,Fc1ccc(-c2cnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1,VOJOXQGEMVHMNR-UHFFFAOYSA-N,3,1,0.422,46,587,435.81,2.805,5,0.384,0.68,1.0,0.5347731478308546,0.577830511959427,0.36521657185936535,0.42258070043177304,0.475100233020355
EOS-3-14563,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)c1,QYCMRUDAMCCEEG-UHFFFAOYSA-N,3,1,0.303,30,298,451.881,4.149,6,0.397,0.74,0.778,0.026223356863820164,0.15945617161263792,0.3542166403947639,0.5206120211089027,0.2651270474950312
EOS-3-14564,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cc(F)cc(F)c6)n5)n34)cc2)n(C)n1,TVRDIDPKVNVZPZ-UHFFFAOYSA-N,3,1,0.329,98,289,470.447,3.421,6,0.389,0.72,1.0,0.0477434720032897,0.18853231444040847,0.30587348365430744,0.3656877527242821,0.22695925570557193
EOS-3-14565,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc(Cl)n1,HRSOCEFQYBYZDX-UHFFFAOYSA-N,3,1,0.273,33,432,472.9,2.589,6,0.386,0.75,0.849,0.08759680625042834,0.1557124254677541,0.04116407374408882,0.08991844287574532,0.09359793708450415
EOS-3-14566,N#Cc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)ccc1Cl,DCEKIPQWAWDNKS-UHFFFAOYSA-N,3,1,0.5,4,268,441.842,3.142,5,0.404,0.67,0.997,0.7220118566239463,0.8668185868000823,0.6078404495922144,0.6219416078404496,0.7046531252141731
EOS-3-14567,Cn1cnnc1-c1ccc(F)c(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,SLEPAYPSSZPYGX-UHFFFAOYSA-N,3,1,0.5,36,554,436.838,3.353,5,0.39,0.75,1.0,0.5690322801727092,0.7083818792406278,0.5052343910629841,0.557252758549791,0.584975327256528
EOS-3-14568,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,QTSDXVIRKNGWIC-UHFFFAOYSA-N,3,1,0.28,98,866,422.416,1.829,6,0.45,0.68,1.0,0.0972945651428963,0.09695188815022959,0.060559591529024744,0.07753066959084368,0.08308417860324857
EOS-3-14569,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C(C)C)nn4C(C)C4CC4)n23)cc1,HYQGJQMIMNMKCJ-UHFFFAOYSA-N,3,1,0.333,63,792,430.516,3.504,5,0.502,0.66,1.0,0.07264752244534302,0.03421629771777123,0.011334041532451511,0.005354328010417381,0.030888047426495785
EOS-3-14570,Clc1ccncc1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,QVQDGSMGAQEWFZ-UHFFFAOYSA-N,3,1,0.553,75,496,429.871,3.918,5,0.404,0.72,1.0,0.8139692276060585,0.8202916181207593,0.607849016517031,0.6395123706394352,0.7204055582208211
EOS-3-14571,O=C(c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)n4)n23)cc1)N1CC(F)C1,XKEFITKTKFJCAQ-UHFFFAOYSA-N,3,1,0.31,52,376,470.443,3.243,6,0.372,0.78,0.979,0.27384175176478653,0.26773353437050235,0.20149407168802685,0.3269052840792269,0.2674936604756357
EOS-3-14572,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)nc1,IQYDLHYTGWNMTG-UHFFFAOYSA-N,3,1,0.315,64,365,431.463,3.711,6,0.419,0.69,1.0,0.06659070659995887,0.030995133986704133,0.2405592488520321,0.27475841272017,0.15322587553971628
EOS-3-14573,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cc1,KIUDDOGAXGXRRR-UHFFFAOYSA-N,3,1,0.307,9,498,431.463,3.711,6,0.419,0.69,1.0,0.0829792337742444,0.010237475155918031,0.24056781577684874,0.3082550887533411,0.16050990336508808
EOS-3-14574,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c(-c2ncccn2)n1,DJWVGFSCMQULFB-UHFFFAOYSA-N,3,1,0.291,86,723,432.451,3.106,6,0.418,0.66,1.0,0.03908231101363854,0.031003700911520802,0.17507367555342335,0.19002295935850866,0.10879566170927284
EOS-3-14575,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)cc4)n23)cc1,AHYBNOBUOUTREF-UHFFFAOYSA-N,3,1,0.337,25,508,449.453,3.85,6,0.377,0.74,1.0,0.20351586594476048,0.27785107257898706,0.5227280515386197,0.5763141662668768,0.39510228908231104
EOS-3-14576,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnn(C)n5)c4)n23)c(F)n1,VOTHQFGUSCXCPN-UHFFFAOYSA-N,3,1,0.5,36,772,434.41,3.147,5,0.392,0.72,0.999,0.62564251936125,0.5632667397710918,0.5856521143170448,0.5141953944212185,0.5721891919676513
EOS-3-14577,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5F)n34)ccn2)o1,SZIOROSOVOFBQK-UHFFFAOYSA-N,3,1,0.302,98,424,454.429,3.146,6,0.395,0.69,1.0,0.23666129806044822,0.3085463641971078,0.1981101363854431,0.20427832225344392,0.23689903022411074
EOS-3-14578,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(F)cn6)nc5)n34)cc2)n1,SGTCVUZWTVIUKJ-UHFFFAOYSA-N,3,1,0.333,38,725,449.453,3.85,6,0.403,0.7,1.0,0.14505517099581933,0.26252484408196836,0.5531920361866904,0.5104516482763347,0.36780592488520325
EOS-3-14579,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cc1,NUXQNZJYFPQFER-UHFFFAOYSA-N,3,1,0.325,9,498,449.453,3.85,6,0.403,0.7,1.0,0.19519738194777603,0.24740422178054966,0.43135323144404086,0.5104602152011514,0.3461037625933795
EOS-3-14580,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ncc(F)cn5)c4)n23)n1,HXMVLRSIIYKWLZ-UHFFFAOYSA-N,3,1,0.5,73,82,446.421,3.246,5,0.392,0.7,1.0,0.9436382016311425,0.903236584195737,0.40615790555822084,0.38799602494688507,0.6602571790829964
EOS-3-14581,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)s4)n23)cn1,OJQRURRBCBAUIO-UHFFFAOYSA-N,3,1,0.448,55,283,463.458,2.178,5,0.402,0.69,1.0,0.49891200054828316,0.43242409704612433,0.0707113974367761,0.04110410527037215,0.26078790007538893
EOS-3-14582,OCc1cccc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccn2)c1,QFVSPUJMNBPXQO-UHFFFAOYSA-N,3,1,0.516,35,429,442.454,3.501,5,0.412,0.73,1.0,0.875,0.6211191830580495,0.7521331642793503,0.7052378178329107,0.7383725412925776
EOS-3-14583,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)nn1,QQUWHMYTLBBXFK-UHFFFAOYSA-N,3,1,0.279,99,286,437.431,1.234,6,0.395,0.65,0.412,0.07265608937015969,0.05139298197519018,0.014649441436501954,0.012884654924268385,0.03789579192653005
EOS-3-14584,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cc2)n1,KFAYGFHRCAEZIX-UHFFFAOYSA-N,3,1,0.308,98,727,433.439,2.501,6,0.412,0.66,1.0,0.1097508738263313,0.0740610650400932,0.13755054485641835,0.1471712014255363,0.11713342128709478
EOS-3-14585,CCn1cnc(-c2ccc(-c3nnc4cncc(-c5ncnnc5-c5ccccc5)n34)cc2)n1,JUJYJCMABOFPIH-UHFFFAOYSA-N,3,1,0.325,9,642,446.478,3.589,6,0.395,0.72,1.0,0.16720067164690564,0.059171749708724554,0.11436844630251525,0.14957850729901995,0.12257984373929134
EOS-3-14586,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1,WZHJMYCFGXOQSV-UHFFFAOYSA-N,3,1,0.5,50,121,420.383,3.25,5,0.431,0.76,1.0,0.3938815022959358,0.40498423685833734,0.6661041052703721,0.62476869302995,0.5224346343636488
EOS-3-14587,Cc1noc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)n1,IRNBAQVJWAZSBB-UHFFFAOYSA-N,3,1,0.406,33,53,429.4,1.618,5,0.42,0.66,1.0,0.282108834212871,0.10335994791309712,0.05490542115002399,0.02208553217736961,0.11561493386334043
EOS-3-14588,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncnnc5-c5ccc(F)cc5)n34)cn2)nn1,AKLXEUOCOUPRCU-UHFFFAOYSA-N,3,1,0.322,98,507,451.429,2.64,6,0.398,0.65,0.863,0.16461346035227195,0.24741278870536632,0.2154581591391954,0.28971626345007195,0.22930016791172642
EOS-3-14589,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4nnccc4Br)n23)cc1,URCRCRSKQODCJM-UHFFFAOYSA-N,3,1,0.5,36,447,465.275,2.113,5,0.384,0.7,1.0,0.44326982386402575,0.48499931464601465,0.0664536358028922,0.08622609827976149,0.27023721814817353
EOS-3-14590,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1F,DVOJWPXTWAMRRU-UHFFFAOYSA-N,3,1,0.506,37,482,450.865,3.396,5,0.391,0.69,1.0,0.7893907203070386,0.820300185045576,0.42027619765608937,0.45737098211226096,0.6218345212802412
EOS-3-14591,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cnn1,QIOZYLPRFAELQU-UHFFFAOYSA-N,3,1,0.306,99,112,434.427,1.896,6,0.404,0.64,0.998,0.03746316222328833,0.02122883969570283,0.04262901788773902,0.06629086423137551,0.04190297100952642
EOS-3-14592,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccn1,MLRHWYCNJHBFTQ-UHFFFAOYSA-N,3,1,0.376,33,760,469.469,1.243,6,0.369,0.74,1.0,0.1782520046604071,0.04057295593173874,0.00969775889246796,0.009757727366184634,0.05957011171269961
EOS-3-14593,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1-c1ccncc1,FMADCRKNTFNKAW-UHFFFAOYSA-N,3,1,0.316,86,790,432.451,3.106,6,0.418,0.67,0.998,0.04056438900692207,0.04058152285655541,0.2654375985196354,0.26295319032280173,0.15238417517647865
EOS-3-14594,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)cn1,JJQLDALBEWXFKC-UHFFFAOYSA-N,3,1,0.286,94,165,432.451,3.106,6,0.418,0.67,0.999,0.08760537317524501,0.0810602426153108,0.33174559660064423,0.2926118840381057,0.19825577410732645
EOS-3-14595,COc1ccc(-c2nnc3cncc(OCc4cncc(-c5cn(C)nc5C)c4)n23)cn1,ZUBVBRALMGORDN-UHFFFAOYSA-N,3,1,0.483,92,36,428.456,2.878,5,0.407,0.74,1.0,0.27140874511685287,0.1067181824412309,0.3132153382221918,0.14717976835035296,0.2096305085326571
EOS-3-14596,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccoc4)nc3)n12,JOEVLNBGBHBFPT-UHFFFAOYSA-N,3,1,0.33,8,899,435.451,3.787,6,0.402,0.74,0.999,0.07868720444109382,0.06308683434994175,0.08658590912206154,0.13769618257830168,0.0915140326228497
EOS-3-14597,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)n5)cc4F)n23)n1,GRFWZQJZMXDWPW-UHFFFAOYSA-N,3,1,0.511,37,563,430.447,3.051,5,0.408,0.73,1.0,0.6284439037763004,0.5927369611404291,0.3278904804331437,0.26893290384483587,0.45450106229867726
EOS-3-14598,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)o2)n1C,PSJAYGFXXMAXCY-UHFFFAOYSA-N,3,1,0.333,98,882,438.455,2.951,6,0.412,0.64,1.0,0.0786957713659105,0.05918031663354122,0.05296929614145706,0.04758070043177301,0.05960652114317045
EOS-3-14599,OCc1cc(-c2nnc3cncc(OCc4ccc(-c5cncnn5)nc4)n23)ccc1Cl,DJCFABKTVYTNCL-UHFFFAOYSA-N,3,1,0.5,16,707,446.858,2.763,5,0.419,0.68,0.998,0.8035432801041738,0.7754437667055034,0.6168785552737989,0.5949215269686793,0.6976967822630388
EOS-3-14600,Fc1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cc4)n23)c(Cl)c1F,HAEHLDHWYJMKFQ-UHFFFAOYSA-N,3,1,0.351,14,358,434.837,4.771,5,0.381,0.83,1.0,0.48897436776094855,0.6116527311356316,0.9397231169899253,0.952676307312727,0.7482566307998081
EOS-3-14601,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)nn1,JUCFAYILDRWVRB-UHFFFAOYSA-N,3,1,0.553,36,728,420.824,2.004,5,0.42,0.75,1.0,0.38723356863820163,0.5724761839490097,0.058546364197107806,0.1288294153930505,0.2867713830443424
EOS-3-14602,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cc4F)n23)cn1,GIQSFVQVMMOXDB-UHFFFAOYSA-N,3,1,0.466,90,555,413.8,2.312,4,0.5,0.75,1.0,0.6612038242752382,0.588067987115345,0.4313617983688575,0.37198444246453294,0.5131545130559935
EOS-3-14603,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)nc1,CHXFMVLMUFQONB-UHFFFAOYSA-N,3,1,0.386,33,53,454.454,1.762,5,0.386,0.64,0.97,0.29852306216160646,0.0845469810156946,0.058554931121924475,0.024604208073469948,0.11655729559317388
EOS-3-14604,Cc1ccc(-c2ccnc(-c3nnc4cncc(Cc5ccc(C(F)(F)F)cn5)n34)c2)cn1,DPIOCNIBXKNYKB-UHFFFAOYSA-N,3,1,0.314,85,81,447.424,4.561,5,0.402,0.76,1.0,0.3165393050510589,0.3282074566513604,0.9498320882735933,0.894729627852786,0.6223271194571997
EOS-3-14605,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ccnc(CO)n5)nc4)n23)n1,LWDGXVUGAUGKNK-UHFFFAOYSA-N,3,1,0.438,7,464,432.469,2.48,5,0.431,0.73,1.0,0.42728394215612364,0.432432663970941,0.060568158453841406,0.03985333424713865,0.2400345247070112
EOS-3-14606,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nc5)n34)cc2)nn1,RJLUAWDTKVSGDY-UHFFFAOYSA-N,3,1,0.295,98,882,447.466,2.809,6,0.401,0.65,1.0,0.10485915975601398,0.047777739702556374,0.12308100884106642,0.11555924885203207,0.09781928928791721
EOS-3-14607,Cn1cc(-c2cc(F)cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)c2)cn1,MYZLNLYCFYCNSJ-UHFFFAOYSA-N,3,1,0.291,94,615,449.453,3.85,6,0.403,0.73,1.0,0.09492152696867932,0.19742478240010966,0.5532006031115071,0.5668562812692756,0.35310079843739295
EOS-3-14608,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)[nH]2)ccn1,KTTVPHKUCFMOET-UHFFFAOYSA-N,3,1,0.301,70,957,436.414,3.235,6,0.418,0.71,0.784,0.14795935850866973,0.21163731067096156,0.4061664724830375,0.4604550750462614,0.30655455417723254
EOS-3-14609,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccccc5)n34)cc2)nn1,LCFBIVBPQOOSJC-UHFFFAOYSA-N,3,1,0.366,9,764,433.479,3.654,6,0.421,0.71,1.0,0.03609245425262148,0.03706051675690494,0.3207199643615928,0.33972997052977866,0.18340072647522448
EOS-3-14610,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)nc1,UNAZVUKLRAJMTF-UHFFFAOYSA-N,3,1,0.264,33,432,443.406,1.413,6,0.399,0.63,0.706,0.020851895003769445,0.07406963196490987,0.03967342882598862,0.07373552189705983,0.052082619422931936
EOS-3-14611,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)n1,AIOJTVSRCNSKEB-UHFFFAOYSA-N,3,1,0.346,30,991,430.475,4.409,6,0.412,0.79,1.0,0.006793571379617573,0.017527928174902337,0.4461054759783428,0.46359056952916183,0.23350438626550613
EOS-3-14612,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6cccc6)cc5)n34)cc2)n1,XMQOKHCKTMGFNT-UHFFFAOYSA-N,3,1,0.293,9,98,430.475,4.409,6,0.412,0.79,1.0,0.02861352888767048,0.021237406620519497,0.5227366184634363,0.5173394558289356,0.2724817524501405
EOS-3-14613,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C#N)nc5)n34)c(Cl)cn2)nn1,MBMAOXIZKBPIDF-UHFFFAOYSA-N,3,1,0.432,92,134,444.846,2.481,5,0.4,0.67,1.0,0.49381468028236586,0.6446782263038859,0.402542663285587,0.40647488177643754,0.4868776129120691
EOS-3-14614,Fc1ccccc1-n1nnnc1-c1cncc2nnc(-c3ccc(-c4cncnc4)nc3)n12,LIZAJZUGUMYLKM-UHFFFAOYSA-N,3,1,0.295,10,952,437.402,2.425,6,0.409,0.68,0.916,0.01791343979165239,0.1758104310876568,0.19811870331025974,0.3082636556781578,0.1750265574669317
EOS-3-14615,N#Cc1ccc(-n2cnc(-c3cncc4nnc(-c5cnccc5-c5ccccc5)n34)n2)cc1,FZQFGDZIQVLYSN-UHFFFAOYSA-N,3,1,0.322,30,289,441.458,3.973,6,0.407,0.69,0.519,0.037471729148104996,0.10001028030978,0.5465698033034062,0.6191145226509492,0.3257915838530601
EOS-3-14616,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cn1)N1CC(F)(F)C1,NOECPXDBQPOEST-UHFFFAOYSA-N,3,1,0.32,82,800,471.431,2.796,6,0.393,0.74,1.0,0.2502655746693167,0.22182338427797957,0.11437701322733192,0.20108285929682682,0.19688720786786376
EOS-3-14617,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(C)cc5)cc4F)n23)cc1,NKBWOHNQTYHKGA-UHFFFAOYSA-N,3,1,0.46,62,528,453.477,5.058,5,0.402,0.85,1.0,0.8847834281406346,0.6496898773216366,0.8514495236789802,0.7533411006785005,0.784815982454938
EOS-3-14618,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)cc1,JNLQXEXCTMVGNE-UHFFFAOYSA-N,3,1,0.338,38,725,437.492,3.772,6,0.414,0.71,1.0,0.08094887259269412,0.09386779521622918,0.272719484613803,0.2661743540538688,0.1784276266191488
EOS-3-14619,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)nc2)nn1,LEWLOQBWPYSETH-UHFFFAOYSA-N,3,1,0.301,76,272,437.492,3.772,6,0.414,0.71,1.0,0.016080117880885477,0.03706908368172161,0.1812075937221575,0.20109142622164347,0.10886205537660201
EOS-3-14620,N#Cc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)c1,QNAIFENBLZHAON-UHFFFAOYSA-N,3,1,0.341,3,289,441.458,3.973,6,0.407,0.68,1.0,0.05254094990062367,0.11298917140703173,0.6198512781851826,0.6593619354396546,0.3611858337331232
EOS-3-14621,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)nc5)n34)nc2)cc1,QCGBPBPFSNREFI-UHFFFAOYSA-N,3,1,0.293,30,301,418.424,3.095,6,0.463,0.73,0.997,0.0577496401891577,0.10672674936604756,0.2582413816736344,0.330075046261394,0.1881982043725584
EOS-3-14622,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ncn4)n23)cc1F,CWFCRMVMRURGOY-UHFFFAOYSA-N,3,1,0.44,36,463,461.421,0.849,5,0.385,0.69,1.0,0.39160270029470223,0.30855493112192445,0.05491398807484066,0.03632376122267151,0.1978488451785347
EOS-3-14623,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,XWOPTNGLKBRFNN-UHFFFAOYSA-N,3,1,0.321,64,449,437.398,3.499,6,0.408,0.67,0.999,0.31407203070385853,0.352460420807347,0.32437804125830993,0.40322801727092045,0.348534627510109
EOS-3-14624,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(-c2cnc(F)cn2)c1,GQLBVFXPALUCHQ-UHFFFAOYSA-N,3,1,0.641,59,232,450.836,4.759,5,0.384,0.81,1.0,0.9779144678226304,0.9858474402028647,0.9327410732643411,0.9418220135700089,0.9595812487149612
EOS-3-14625,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)c2)nn1,BZFRHKINLKHMBV-UHFFFAOYSA-N,3,1,0.291,39,972,451.429,2.64,6,0.398,0.67,0.915,0.07647693783839353,0.14402714001781922,0.19109382496059216,0.2717342882598862,0.17083304776917277
EOS-3-14626,Fc1cccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)c1F,WKGUVFNGEVOLKF-UHFFFAOYSA-N,3,1,0.346,38,608,454.4,4.244,6,0.389,0.78,1.0,0.35039579192653003,0.45450106229867726,0.5856606812418614,0.630517099581934,0.5052686587622507
EOS-3-14627,Cc1cc(-c2nnc3cncc(Cc4cc(Cl)nc(-c5cncnn5)c4)n23)ccc1C(N)=O,BSXSVJBRLDUHSL-UHFFFAOYSA-N,3,1,0.362,85,740,457.885,2.69,5,0.397,0.66,0.997,0.19806730176135975,0.1516688369542869,0.29145534918785554,0.27476697964498664,0.22898961688712222
EOS-3-14628,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(C)s5)cn4)n23)cn1,RYRCOUKYXFDMKE-UHFFFAOYSA-N,3,1,0.421,7,535,459.495,2.347,5,0.406,0.68,1.0,0.3916112672195189,0.247421355630183,0.04746933040915633,0.015540401617435405,0.1755105887190734
EOS-3-14629,Cc1ccnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)n1,VWFSFNRCFFQVPG-UHFFFAOYSA-N,3,1,0.598,35,393,443.898,4.227,5,0.388,0.74,1.0,0.7783136865190871,0.8006048248920568,0.5362980604482215,0.5237303817421698,0.6597367384003838
EOS-3-14630,COc1ncc(-c2cc(Cc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)ccc2F)cn1,VTOGSILUVURDRJ-UHFFFAOYSA-N,3,1,0.398,14,358,473.443,3.225,5,0.402,0.73,1.0,0.4814440408470975,0.3716417654718662,0.6824669316702077,0.5795781646220273,0.5287827256527997
EOS-3-14631,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc5ncnc-5nncn4C)n23)cc1,NPGCLVHHPMDIAB-UHFFFAOYSA-N,3,1,0.368,5,792,426.444,1.347,5,0.674,0.6,0.006,0.1812075937221575,0.1129977383318484,0.006185319717634158,6.853539853334247e-05,0.07511479679254335
EOS-3-14632,Fc1ccc(-c2cc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)ccn2)nn1,GPLXNOQIERRDNC-UHFFFAOYSA-N,3,1,0.321,94,874,449.413,2.696,6,0.395,0.65,0.998,0.28479884860530463,0.2728308546364197,0.28423343156740455,0.2956617092728394,0.2843812110204921
EOS-3-14633,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)cn1,NSWPUVDHEBBJHE-UHFFFAOYSA-N,3,1,0.301,86,812,434.467,3.049,6,0.42,0.66,1.0,0.06659927352477554,0.04414536358028922,0.25123363717360014,0.20428688917826057,0.14156629086423136
EOS-3-14634,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(OC)s5)c4)n23)nc1,HWVMJZDXUADDRJ-UHFFFAOYSA-N,3,1,0.402,89,348,474.506,2.652,5,0.378,0.79,1.0,0.36646734288259886,0.11914022342539922,0.08913885271742855,0.032083133438420945,0.15170738811596188
EOS-3-14635,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)cn1,LFUTXCORHIFFAP-UHFFFAOYSA-N,3,1,0.517,65,454,444.886,3.622,5,0.391,0.69,1.0,0.8008446987869234,0.7754523336303201,0.4390891645534919,0.41618977451853884,0.6078939928723185
EOS-3-14636,O=C(O)c1ccc(-c2nnc3cncc(-c4cncnc4-c4cc(F)c(F)cn4)n23)cn1,HIDZONUFOVCSNJ-UHFFFAOYSA-N,3,1,0.276,50,155,432.35,2.682,5,0.455,0.64,0.886,0.33642313755054487,0.23194092248646425,0.46028373654992805,0.4225892673565897,0.3628092659858817
EOS-3-14637,Cc1cccc(-c2ncncc2-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)n1,WYQCBSXGLHRIGK-UHFFFAOYSA-N,3,1,0.467,4,464,428.431,3.373,5,0.42,0.75,0.993,0.5114882461791516,0.5307381262422041,0.31322390514700843,0.2540435885134672,0.4023734665204578
EOS-3-14638,Cc1nn(C)cc1-c1ccnc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)n1,FYYIDDGYJGWCIW-UHFFFAOYSA-N,3,1,0.279,86,892,447.466,2.809,6,0.401,0.67,0.969,0.032134534987320953,0.015985881707902133,0.060576725378658075,0.05853779727229114,0.04180873483654307
EOS-3-14639,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nc(C)n[nH]5)cc(Cl)n4)n23)cc1,XCHZZXLFQVDIOB-UHFFFAOYSA-N,3,1,0.472,89,677,432.875,3.821,5,0.42,0.75,1.0,0.6914450688780756,0.6889006922075251,0.4025512302104037,0.38160509903365086,0.5411255225824139
EOS-3-14640,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)ccn2)nn1,PECBNLYYZRBHEM-UHFFFAOYSA-N,3,1,0.558,27,99,465.399,3.34,5,0.385,0.72,1.0,0.6704732369268728,0.6067438832156808,0.7821431019121377,0.5795867315468439,0.6597367384003837
EOS-3-14641,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccnc(-c5cncnn5)n4)n23)nc1,LWTBDNKAXDZUIP-UHFFFAOYSA-N,3,1,0.327,33,580,439.443,0.973,5,0.405,0.63,0.998,0.14796792543348639,0.011171269960934822,0.014049756699335206,0.006433760537317525,0.04490567815776848
EOS-3-14642,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ncn1,ISGFVJYAMIHYKH-UHFFFAOYSA-N,3,1,0.398,31,481,449.837,2.847,5,0.385,0.69,0.267,0.6795541772325406,0.5778390788842437,0.22606401206223015,0.3145603454184086,0.4495044033993557
EOS-3-14643,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn[nH]6)cc5F)n34)nc2)s1,KKCFNBDPNKVJDD-UHFFFAOYSA-N,3,1,0.259,70,693,456.47,3.604,6,0.427,0.69,0.999,0.1260108971283668,0.2778596395038037,0.3058820505791241,0.3365602083476115,0.26157819888972655
EOS-3-14644,NC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(F)cc5)n4)n23)cc1,XNZAWPSDSLVCQI-UHFFFAOYSA-N,3,1,0.424,62,837,411.4,3.153,5,0.486,0.85,1.0,0.2634158042629018,0.29375985196353915,0.5363066273730381,0.5039921869645672,0.39936861764101156
EOS-3-14645,Cn1nncc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,CVYHVZNKYIIQQC-UHFFFAOYSA-N,3,1,0.368,93,651,430.475,4.316,6,0.414,0.77,1.0,0.06477451853882531,0.08106880954012748,0.43524261531080805,0.4970958124871496,0.2695454389692276
EOS-3-14646,Fc1cc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ncn4)n23)ccc1Cl,AXJKGUAXVFQQHF-UHFFFAOYSA-N,3,1,0.517,4,391,435.81,2.805,5,0.41,0.65,1.0,0.8272393941470769,0.9317558769104243,0.5465783702282229,0.591965937906929,0.7243848947981633
EOS-3-14647,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cc2)n(C)n1,NSXFMZQOPCWMOV-UHFFFAOYSA-N,3,1,0.329,38,193,446.478,3.414,6,0.405,0.67,1.0,0.07266465629497636,0.05140154890000685,0.09586388869851278,0.09191453635802892,0.07796115756288123
EOS-3-14648,Cc1cc(C)nc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)cc4)n23)n1,VQJNMCLJWQDANO-UHFFFAOYSA-N,3,1,0.5,15,320,425.456,2.672,5,0.405,0.68,1.0,0.7067798642999109,0.5081300116510178,0.0935422520731958,0.0717479953395929,0.3450500308409294
EOS-3-14649,Clc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)cn2)o1,KQGSXMJXKGPUGQ-UHFFFAOYSA-N,3,1,0.316,30,541,453.853,4.014,6,0.389,0.76,0.681,0.15905352614625454,0.27786820642862037,0.24761839490096635,0.3493677609485299,0.2584769721060928
EOS-3-14650,Cn1c(-c2cccc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,RLQAVPVXYTWCGI-UHFFFAOYSA-N,3,1,0.41,30,220,448.465,4.455,6,0.396,0.79,1.0,0.10975944075114796,0.32359845109999313,0.39526934411623604,0.5372147214036049,0.34146048934274553
EOS-3-14651,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cn2)cc1,TYCCBTVWACPRNK-UHFFFAOYSA-N,3,1,0.395,38,193,461.489,3.719,6,0.382,0.72,1.0,0.192593036803509,0.09065519840997875,0.36522513878418206,0.30530806661640736,0.2384453601535193
EOS-3-14653,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nn2)o1,FSDOOMGKPMEVLW-UHFFFAOYSA-N,3,1,0.425,72,706,422.355,3.67,5,0.418,0.78,1.0,0.8294753615242273,0.6301658556644507,0.5017390857377836,0.4415393050510589,0.6007299019943801
EOS-3-14654,COc1ccc(-c2cc(-c3nnc4cncc(OCc5nccc(C)n5)n34)ncn2)cn1,SWYHRNZILIGTBK-UHFFFAOYSA-N,3,1,0.35,7,238,427.428,2.329,5,0.398,0.69,1.0,0.35731786717839764,0.14403570694263587,0.10896271674319787,0.04758926735658968,0.16447638955520527
EOS-3-14655,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,CKLAFSWWOGKBTF-UHFFFAOYSA-N,3,1,0.562,92,399,418.848,3.214,5,0.432,0.76,1.0,0.542320608594339,0.7625248440819683,0.4602923034747447,0.4668374340346789,0.5579937975464327
EOS-3-14656,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)ncc1F,NTHBKUFPGTXINS-UHFFFAOYSA-N,3,1,0.62,2,294,449.396,3.948,5,0.401,0.73,1.0,0.8956120211089027,0.8384277979576451,0.8260571585223768,0.7945480090466726,0.8386612466588993
EOS-3-14657,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cn1,FVSWINJWPKENRU-UHFFFAOYSA-N,3,1,0.488,16,772,435.85,3.958,5,0.415,0.71,1.0,0.5859262559111781,0.5494825577410732,0.8334332807895278,0.8164793365773422,0.6963303577547804
EOS-3-14658,Fc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c1,XIQRXIRUIZZQEH-UHFFFAOYSA-N,3,1,0.523,2,419,447.861,4.057,5,0.387,0.75,1.0,0.8531029401685971,0.8668271537248989,0.7635271742855184,0.8010931396066068,0.8211376019464054
EOS-3-14659,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)nn2)c1,PMSSPIRFHSUWOE-UHFFFAOYSA-N,3,1,0.287,10,37,424.403,2.963,6,0.463,0.69,0.727,0.020860461928586115,0.1296004386265506,0.3503786580768967,0.41935096977588926,0.23004763210198068
EOS-3-14660,Cc1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)nn1,DIBYKRFNYHFCDA-UHFFFAOYSA-N,3,1,0.489,27,69,447.409,3.258,5,0.386,0.72,1.0,0.5690408470975259,0.5927455280652457,0.5261376876156535,0.4002809951339867,0.522051264478103
EOS-3-14661,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C(F)F)n5)n34)c2)nn1,VELDTFNPFBVJFE-UHFFFAOYSA-N,3,1,0.479,27,506,447.409,3.258,5,0.386,0.68,1.0,0.5396562949763553,0.5217428551847029,0.35778904804331435,0.2661829209786855,0.42134277979576445
EOS-3-14662,OCc1nccc(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)n1,FUDPWKLMXAOYLR-UHFFFAOYSA-N,3,1,0.467,4,712,436.432,2.31,5,0.427,0.71,1.0,0.4088307861010212,0.5037266122952505,0.26191659241998494,0.25405215543828386,0.35713153656363517
EOS-3-14663,Cc1nnc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)o1,CKYAZWWANLETED-UHFFFAOYSA-N,3,1,0.415,53,587,430.388,1.013,5,0.407,0.68,0.989,0.26342437118771844,0.07753923651566035,0.02498971969022,0.009440751147967925,0.09384851963539169
EOS-3-14664,Cn1cc(-c2ncc(-c3nnc4cncc(-c5nnn(-c6cccc(F)n6)n5)n34)cn2)cn1,OITYFNXKWUNOHC-UHFFFAOYSA-N,3,1,0.272,99,286,441.394,1.159,6,0.366,0.7,1.0,0.016088684805702146,0.09387636214104585,0.02310499623055308,0.031106504009320815,0.04104413679665547
EOS-3-14665,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccnc(-c6cccnn6)c5)n34)cn2)cc1,RJAXZFLOLIAADU-UHFFFAOYSA-N,3,1,0.333,30,945,429.447,3.767,6,0.417,0.71,1.0,0.1672092385717223,0.10336851483791379,0.3278990473579604,0.36248372284284835,0.2402401309026112
EOS-3-14666,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cn1,RFBRPGPDNGOCOJ-UHFFFAOYSA-N,3,1,0.535,27,45,453.388,2.975,5,0.4,0.7,1.0,0.5829535329997944,0.5399047357960387,0.7474556233294497,0.5406414913302721,0.6027388458638887
EOS-3-14667,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4)n23)c(F)c1,JGJWDBHIXWBTEH-UHFFFAOYSA-N,3,1,0.333,98,765,453.445,2.583,6,0.4,0.67,1.0,0.22264580906037967,0.3377938455212117,0.19466623260914262,0.22435062709889658,0.24486412857240764
EOS-3-14668,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,MGLGTTKNWBGQRV-UHFFFAOYSA-N,3,1,0.577,73,212,434.822,3.41,5,0.414,0.66,1.0,0.855218970598314,0.958116304571311,0.54977383318484,0.6037283256802138,0.7417093585086697
EOS-3-14669,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)[nH]4)n23)cc1,VLSNHOVZCIYOMN-UHFFFAOYSA-N,3,1,0.37,3,642,454.885,3.692,6,0.431,0.71,1.0,0.14254506202453568,0.28306832979233776,0.31713898978822563,0.43209855390309093,0.2937127338770475
EOS-3-14670,N#Cc1cc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)ccc1F,YDEYZIJEVOZDLC-UHFFFAOYSA-N,3,1,0.495,19,88,438.426,3.276,5,0.397,0.7,1.0,0.7752552943595367,0.6642879172092385,0.7087673908573778,0.6770612021108903,0.7063429511342608
EOS-3-14671,Cc1ccc(F)cc1COc1cncc2nnc(-c3ccc(F)c(-c4cccnn4)c3)n12,GSOLPSSMTCWVMV-UHFFFAOYSA-N,3,1,0.553,43,433,430.418,4.414,5,0.411,0.78,1.0,0.932561167843191,0.8860598999383181,0.8952522102666027,0.8767048180385169,0.8976445240216573
EOS-3-14672,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n[nH]1,PIGPXGKVIXONGL-UHFFFAOYSA-N,3,1,0.484,65,349,433.863,2.95,5,0.434,0.72,1.0,0.6456976903570695,0.6692481666780893,0.22978205743266397,0.25406072236310057,0.4496971592077308
EOS-3-14673,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)nc1,XFCZFUYMRZCYSK-UHFFFAOYSA-N,3,1,0.346,94,515,449.453,3.85,6,0.403,0.71,1.0,0.1926016037283257,0.30856349804674116,0.5295901583167706,0.5504848879446234,0.3953100370091152
EOS-3-14674,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)nn1,ANAOUGQRKOCNMU-UHFFFAOYSA-N,3,1,0.321,98,507,452.417,2.035,6,0.39,0.66,0.333,0.16721780549653897,0.30356898087862383,0.07736789801932699,0.15477006373792063,0.1757311870331026
EOS-3-14675,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cc(C#N)ccc5Cl)n34)ncn2)nn1,NWHMDOYXDXETSR-UHFFFAOYSA-N,3,1,0.33,44,971,441.842,3.664,5,0.41,0.73,0.8,0.6612123912000548,0.5830477691727778,0.5497824001096566,0.570068878075526,0.5910278596395038
EOS-3-14676,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)cc3Cl)n12,PVCSUBNRYSCOBD-UHFFFAOYSA-N,3,1,0.566,35,325,447.861,4.057,5,0.387,0.72,1.0,0.9368617641011583,0.9479387978891097,0.7063001165101775,0.7269721060927969,0.8295181961483107
EOS-3-14677,O=C(O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)c5)ns4)n23)cc1,AMRGJDOLRCAFPW-UHFFFAOYSA-N,3,1,0.416,96,837,434.868,4.328,5,0.448,0.76,1.0,0.10234048385991365,0.15167740387910356,0.3768590226852169,0.4256733602905901,0.2641375676787061
EOS-3-14678,Fc1cncc(F)c1CCOc1cncc2nnc(-c3cccc(-c4cnccn4)c3)n12,RPVQFDRJNUWJHH-UHFFFAOYSA-N,3,1,0.573,35,559,431.406,3.543,5,0.406,0.69,1.0,0.8115105201836749,0.7962785278596395,0.7139246795970119,0.7026848742375437,0.7560996504694675
EOS-3-14679,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(=O)n5C)n34)c(F)c2)cn1,NRFVIFFHLXQQLY-UHFFFAOYSA-N,3,1,0.419,16,79,450.409,2.143,5,0.404,0.67,0.996,0.4572339113151943,0.44996059214584333,0.3425142210951957,0.3555359468165307,0.401311167843191
EOS-3-14680,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,BHAQVNPZOGSIAQ-UHFFFAOYSA-N,3,1,0.407,51,62,430.859,3.579,5,0.416,0.67,1.0,0.617341169213899,0.5263347268864369,0.49469707353848263,0.4668460009594956,0.5263047426495785
EOS-3-14681,COc1cc(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)ccc1-c1cnccn1,RVLRKRNYYBCRKB-UHFFFAOYSA-N,3,1,0.442,14,358,428.883,4.501,5,0.41,0.78,1.0,0.5244757042012199,0.48085292303474747,0.7775597971352204,0.7585155232677678,0.6353509869097389
EOS-3-14682,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4ccnc(C#N)c4)n23)n1,MPAGNSHWTXEZIU-UHFFFAOYSA-N,3,1,0.422,18,531,453.441,2.979,5,0.381,0.7,1.0,0.8061818929477075,0.6496984442464533,0.4352511822356247,0.3970769652525529,0.5720521211705846
EOS-3-14683,Cc1cc(COc2cncc3nnc(-c4cccc(-c5cnc(C)nn5)c4)n23)c(F)c(C)n1,YHVPFDKGSPMVKN-UHFFFAOYSA-N,3,1,0.457,4,506,442.458,3.682,5,0.406,0.69,1.0,0.654812898362004,0.5124648756082517,0.40255979713522033,0.29567027619765607,0.46637696182578303
EOS-3-14684,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccccc5F)cc(F)n4)n23)n1,CBHJDLXEBYOMNI-UHFFFAOYSA-N,3,1,0.44,57,31,434.381,4.245,5,0.385,0.82,1.0,0.6340466726064012,0.7083904461654444,0.8745630868343499,0.8852460420807347,0.7755615619217326
EOS-3-14685,CCn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)cc1,MDABXUCDPTXCHG-UHFFFAOYSA-N,3,1,0.299,38,42,447.506,4.137,6,0.394,0.78,1.0,0.08298780069906106,0.04059008978137208,0.38430368035090123,0.31146768555959153,0.20483731409773148
EOS-3-14686,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5c[nH]nn5)c4)n23)cc1,LCOMHGFIZIYDKY-UHFFFAOYSA-N,3,1,0.351,74,740,425.456,2.312,5,0.427,0.78,0.999,0.09730313206771297,0.04059865670618874,0.1619919813583716,0.09781714755671304,0.09942772942224659
EOS-3-14687,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)nc1,XFLGJYPQMPVZRO-UHFFFAOYSA-N,3,1,0.435,54,511,431.406,3.809,5,0.418,0.71,1.0,0.6340552395312179,0.5263432938112536,0.7635357412103352,0.7508052909327668,0.6686848913713933
EOS-3-14688,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nn5)n34)nc2)n1C,DNYWFZQGUZARON-UHFFFAOYSA-N,3,1,0.276,70,813,446.478,3.414,6,0.405,0.68,0.995,0.0744637105064766,0.031012267836337468,0.20861318621067781,0.18721300801864163,0.12532554314303337
EOS-3-14689,O=C(NC(CF)CF)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)nc4)n23)nc1,PNLZQRSXBZRJSS-UHFFFAOYSA-N,3,1,0.31,82,523,472.459,3.348,5,0.387,0.75,1.0,0.1752707148242067,0.12960900555136728,0.4914245082585155,0.4321071208279076,0.30710283736549926
EOS-3-14690,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cn2)n1,FTDZXLBFRNLWMI-UHFFFAOYSA-N,3,1,0.302,98,219,455.417,2.541,6,0.39,0.69,1.0,0.29035878281132205,0.3282160235761771,0.10094407511479679,0.12883798231786717,0.21208921595504077
EOS-3-14691,COc1nc(C(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NCC#N)c(Cl)c3)n12,OPPNHYIAVUCTTK-UHFFFAOYSA-N,3,1,0.324,66,999,469.839,3.706,4,0.427,0.71,1.0,0.5474607634843397,0.5632753066959084,0.8031920361866904,0.6885751490644918,0.6506258138578576
EOS-3-14692,N#Cc1ccc(-c2nnc3cncc(-c4c(Cl)cnn4-c4cc(Cl)cnn4)n23)cc1,POMVYLPKGKNOAS-UHFFFAOYSA-N,3,1,0.447,22,844,434.25,3.612,5,0.427,0.69,1.0,0.09251422109519566,0.35754917414844767,0.5731786717839764,0.7687529984236858,0.4479987663628264
EOS-3-14693,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nnnn5C)c4)n23)cn1,QBVDBPORWBIPQY-UHFFFAOYSA-N,3,1,0.433,92,728,444.419,0.105,5,0.378,0.72,0.999,0.3290555822082105,0.16328558700568843,0.00883249948598451,0.002604345144267014,0.1259445034610376
EOS-3-14694,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cc2)n1,KYMARXUDJJIICO-UHFFFAOYSA-N,3,1,0.301,3,289,438.43,3.272,6,0.449,0.64,0.534,0.04491638681378932,0.17581899801247344,0.2914639161126722,0.3397385374545953,0.21298445959838258
EOS-3-14695,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)nc1,HOXLBMFDZARXMW-UHFFFAOYSA-N,3,1,0.506,84,752,449.877,4.001,5,0.389,0.74,1.0,0.7461705846069495,0.6987783565211432,0.6373706394352683,0.6565519840997875,0.6847178911657872
EOS-3-14696,Cc1cc(-c2ccc(C)c(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)c2)ccn1,JNBDJCAYQDVDMD-UHFFFAOYSA-N,3,1,0.33,62,124,434.503,4.544,5,0.448,0.74,0.989,0.1646220272770886,0.04415393050510589,0.6495613734493866,0.5004026454663834,0.3396849941744911
EOS-3-14697,COc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C)cc5)n34)ncn2)cn1,AHEATBZODOYHQL-UHFFFAOYSA-N,3,1,0.506,89,463,426.44,2.934,5,0.404,0.7,1.0,0.4741878555273799,0.404992803783154,0.2727280515386197,0.16036426564320472,0.32806824412308955
EOS-3-14698,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4)n23)ccn1,QYVGZFDETOHLAU-UHFFFAOYSA-N,3,1,0.543,58,578,431.406,3.543,5,0.38,0.76,1.0,0.9251507778767734,0.9078284558974711,0.6580254951682544,0.642356589678569,0.7833403296552669
EOS-3-14699,CCOc1ncccc1-c1nnc2cncc(-c3nc(C)nc(-c4ccc(F)cc4)n3)n12,JJKUWFBSIQUWMK-UHFFFAOYSA-N,3,1,0.383,29,704,428.431,3.552,5,0.419,0.73,0.999,0.5319974641902543,0.6497070111712699,0.16200054828318827,0.15763998355150435,0.3753362517990542
EOS-3-14700,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cc2)c1,GBBVYCXARPXSOF-UHFFFAOYSA-N,3,1,0.325,3,289,434.438,4.24,6,0.413,0.72,1.0,0.04492495373860599,0.17126996093482283,0.5856692481666781,0.6593705023644713,0.36530866630114456
EOS-3-14702,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cn1,MWODNSCSEUURBL-UHFFFAOYSA-N,3,1,0.311,3,668,434.438,4.24,6,0.413,0.72,1.0,0.029692961414570625,0.24228976766499896,0.7012456308683435,0.7352563223905147,0.42712117058460697
EOS-3-14703,Cc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)c2)n(C)n1,AEBJBFFYHNCWHG-UHFFFAOYSA-N,3,1,0.56,89,656,427.468,2.967,5,0.444,0.75,1.0,0.4814526077719142,0.18854088136522515,0.5194897539579193,0.37852957302446716,0.3920032040298814
EOS-3-14704,Fc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)c1,ASKTTZRRFJQPAR-UHFFFAOYSA-N,3,1,0.264,86,957,436.414,3.03,6,0.414,0.66,1.0,0.009200877253101227,0.08455554794051127,0.40617503940785415,0.46685456788431223,0.24169650812144472
EOS-3-14705,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)nc1,JQOFXTYJRZGHFV-UHFFFAOYSA-N,3,1,0.276,39,114,436.414,3.03,6,0.414,0.66,0.978,0.006339524364334178,0.09388492906586252,0.2189705983140292,0.28658076896717155,0.15144395517784937
EOS-3-14707,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)cnn1,BKOOIDFIMCMEJM-UHFFFAOYSA-N,3,1,0.29,99,356,453.405,1.43,6,0.381,0.66,0.97,0.06660784044959221,0.14777088616270304,0.035527037214721405,0.09383352751696251,0.08593482283599478
EOS-3-14708,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1Cl,BFPUDBWQFWUXNB-UHFFFAOYSA-N,3,1,0.518,35,300,448.849,3.452,5,0.364,0.75,1.0,0.9627938455212117,0.9269241313138236,0.35422520731958057,0.4002895620588034,0.6610581865533548
EOS-3-14709,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5c(F)cccc5Cl)nn4)n23)cc1,KGVJDUIIKRZOEA-UHFFFAOYSA-N,3,1,0.321,98,39,472.875,3.627,6,0.386,0.78,1.0,0.033488109108354466,0.22183195120279625,0.420284764580906,0.5406500582550887,0.30406372078678634
EOS-3-14710,Cc1nnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1C,OZAUOLLHDUWDPU-UHFFFAOYSA-N,3,1,0.389,53,105,434.851,2.313,5,0.41,0.67,1.0,0.3573264341032143,0.4717976835035296,0.049242683846206566,0.07574874922897677,0.2385288876704818
EOS-3-14711,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)c2)cn1,ULZGVTYWGVXEIU-UHFFFAOYSA-N,3,1,0.512,16,980,419.395,3.444,5,0.434,0.76,1.0,0.582962099924611,0.44561716126379275,0.8093687889795079,0.7611027345624015,0.6497626961825782
EOS-3-14712,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ncn2)nn1,VMFIITMRZAWKKZ-UHFFFAOYSA-N,3,1,0.379,53,587,432.835,2.369,5,0.408,0.65,0.908,0.43159310533890755,0.4370416695223083,0.10897128366801453,0.1247344253306833,0.2755851209649784
EOS-3-14713,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccnc5F)c4)n23)cn1,SUZJFCPUPAGFIH-UHFFFAOYSA-N,3,1,0.315,86,151,438.43,2.974,6,0.39,0.69,0.532,0.010545884449318072,0.1404033308203687,0.30947159207730796,0.30188986361455694,0.19057766774038792
EOS-3-14714,CC1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)CC1,JCKXNPVPOOWRIA-UHFFFAOYSA-N,3,1,0.358,52,821,479.548,3.521,6,0.388,0.87,1.0,0.034653210883421284,0.004634706325817284,0.005182989514084024,0.017382290453018985,0.015463299294085395
EOS-3-14715,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cn2)ccn1,PTJBISXGEOHWEZ-UHFFFAOYSA-N,3,1,0.313,32,977,443.474,4.076,6,0.401,0.72,1.0,0.22001576314166266,0.11914879035021589,0.3768675896100336,0.33656877527242823,0.2631502295935851
EOS-3-14716,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4F)n23)cc1,CYTJTCIKSMBVRM-UHFFFAOYSA-N,3,1,0.342,9,340,455.482,3.911,6,0.397,0.75,1.0,0.11531937495716538,0.20219655952299362,0.46030087039956136,0.4878692344595984,0.3164215098348297
EOS-3-14717,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)nc4)n23)cc1,ZXPLBSUWVOITKG-UHFFFAOYSA-N,3,1,0.55,25,755,462.477,3.018,6,0.367,0.73,1.0,0.5690494140223425,0.2985915975601398,0.16200911520800493,0.16037283256802137,0.2975057398396272
EOS-3-14718,N#Cc1ccc(COc2cncc3nnc(-c4cc(F)cc(-c5ccccn5)c4)n23)c(F)c1,GFKPLHLXRPNLTR-UHFFFAOYSA-N,3,1,0.511,1,709,440.413,4.582,5,0.397,0.8,1.0,0.8884329381125351,0.8203087519703927,0.9550750462613941,0.95017476526626,0.9034978754026455
EOS-3-14719,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)nc4)n23)cn1,AWNBKHOQSUUBAO-UHFFFAOYSA-N,3,1,0.457,92,986,454.454,1.714,5,0.373,0.7,1.0,0.39600609965046946,0.18006819272154068,0.030481118497704063,0.00844698786923446,0.15375059968473717
EOS-3-14720,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)nc4)n23)ccc1Cl,YYBSTOKWDDZKRA-UHFFFAOYSA-N,3,1,0.557,16,863,430.859,3.579,5,0.416,0.69,1.0,0.8847919950654513,0.8940442738674526,0.36894318415461586,0.3880045918717017,0.6339460112398054
EOS-3-14721,O=C(O)c1ccc(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)nn5)c4)n23)nc1,QYHXZWCWBSMRAM-UHFFFAOYSA-N,3,1,0.37,53,760,449.818,2.093,5,0.408,0.72,0.852,0.2634329381125351,0.11915735727503256,0.1496641765471866,0.11784661777808238,0.16252527242820916
EOS-3-14722,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccn(C)n5)nn4)n23)nc1,KZEYHIMALJQAAV-UHFFFAOYSA-N,3,1,0.381,33,760,443.431,0.71,5,0.397,0.67,1.0,0.22856555410869714,0.10337708176273044,0.01755362894935234,0.004934548694400658,0.08860770337879514
EOS-3-14723,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cn2)n1,GRMPRXKBCPJTSX-UHFFFAOYSA-N,3,1,0.346,98,167,452.417,2.035,6,0.39,0.67,1.0,0.21191145226509492,0.2218405181276129,0.07941539305051058,0.10413097114659722,0.1543245836474539
EOS-3-14724,Cc1cn(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)n1,MTXLQADBRMMMAF-UHFFFAOYSA-N,3,1,0.311,98,882,448.494,3.358,6,0.407,0.68,1.0,0.11232095127133164,0.06683914741964224,0.1620176821328216,0.12884654924268385,0.11750608251661983
EOS-3-14725,Cc1ncc(CCOc2cncc3nnc(-c4ccnc(-c5cnc(C)nc5)c4)n23)cn1,WSSXTTCIHQOAIV-UHFFFAOYSA-N,3,1,0.551,65,454,425.456,2.672,5,0.405,0.7,1.0,0.6401034884517853,0.4144164210814886,0.15269686793228704,0.08805942019052841,0.3238190494140224
EOS-3-14727,CC(O)(F)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1F,FMTJABFCIUGRPN-UHFFFAOYSA-N,3,1,0.327,22,681,455.375,3.591,5,0.417,0.68,0.79,0.20352443286957714,0.43244123089575764,0.9743591940237133,0.9603522719484614,0.6426692824343774
EOS-3-14728,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cncc(F)c6)nc5)n34)cc2)nc1,SAQVWWHDFFWVGY-UHFFFAOYSA-N,3,1,0.325,42,106,465.427,4.046,6,0.384,0.76,1.0,0.32906414913302723,0.4189997258584059,0.5984425330683298,0.6305256665067507,0.49425801864162844
EOS-3-14729,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)ccn1,UWDMJGMPKDQEOP-UHFFFAOYSA-N,3,1,0.602,35,325,431.406,3.543,5,0.38,0.74,1.0,0.9667774655609622,0.945685696662326,0.7012541977931601,0.6711414570625728,0.8212147042697553
EOS-3-14730,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)cn2)cn1,RXJDZOHDYWNTBJ-UHFFFAOYSA-N,3,1,0.318,42,723,449.453,3.85,6,0.377,0.75,1.0,0.10729216640394763,0.22718627921321363,0.6227468987732163,0.5827136591049277,0.38498475087382633
EOS-3-14731,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)c2)nn1,OVQPUXBPGJTBJW-UHFFFAOYSA-N,3,1,0.307,42,727,449.453,3.85,6,0.377,0.75,1.0,0.09493009389349599,0.18417174970872455,0.5663936673291755,0.5700774450003426,0.3538932389829347
EOS-3-14732,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c(Cl)n1,NFRRSPVBATZWLZ-UHFFFAOYSA-N,3,1,0.506,20,320,447.89,2.96,5,0.391,0.69,1.0,0.6144198478514152,0.5830563360975944,0.09355081899801247,0.11069323555616475,0.35043005962579676
EOS-3-14733,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nn2)n1,PRZORRFDTGFYIP-UHFFFAOYSA-N,3,1,0.316,98,63,436.443,1.839,6,0.406,0.65,1.0,0.10234905078473032,0.02827085189500377,0.035535604139538074,0.037403193749571656,0.050889675142210954
EOS-3-14734,COc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)ccn1,XNKDXZUGUYIKFL-UHFFFAOYSA-N,3,1,0.575,84,657,442.454,4.018,5,0.376,0.78,1.0,0.6973648139263929,0.6692567336029059,0.7373038174216983,0.6423651566033857,0.6865726303885957
EOS-3-14735,OCc1cc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)ccc1Cl,MFCQBGRAWXCWBW-UHFFFAOYSA-N,3,1,0.483,51,969,446.858,2.763,5,0.419,0.66,1.0,0.7810979370845041,0.8419059694332123,0.5017476526626002,0.4909276266191488,0.6539197964498663
EOS-3-14736,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(Cl)nc5)cn4)n23)nc1,QUGAVNGKRQYLSB-UHFFFAOYSA-N,3,1,0.404,51,969,451.277,3.924,5,0.371,0.75,1.0,0.6087742443972312,0.7712374066205195,0.5363151942978548,0.6276386128435337,0.6359913645397848
EOS-3-14737,CCOC(=O)c1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1F,ZJLUMPARMDGITF-UHFFFAOYSA-N,3,1,0.523,90,555,429.358,3.359,4,0.343,0.84,1.0,0.7608628606675348,0.5973973682406963,0.8115961894318415,0.7052463847577274,0.71877570077445
EOS-3-14738,N#Cc1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1F,MEEFIZSUQJPOSY-UHFFFAOYSA-N,3,1,0.353,22,681,418.342,3.328,5,0.446,0.74,1.0,0.16183777671167157,0.39058323624151875,0.9074857789048043,0.9266157220204235,0.5966306284696046
EOS-3-14739,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cn5)n34)n2)n1,BWVJRBHLULJEFZ-UHFFFAOYSA-N,3,1,0.265,99,14,436.443,1.839,6,0.406,0.64,0.482,0.059522993626207936,0.04060722363100541,0.03687204441093825,0.030129874580220685,0.04178303406209307
EOS-3-14740,CNC(=O)c1ccc(-c2nnc3cncc(-c4csnc4-c4cnnc(F)c4)n23)cc1F,PLCFQUDOUQGISS-UHFFFAOYSA-N,3,1,0.337,74,413,450.434,3.01,5,0.448,0.61,0.98,0.19261017065314234,0.19281577684874238,0.43909773147830855,0.42259783428140635,0.3117803783153999
EOS-3-14741,COc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cc5)c4)n23)ccn1,MHLPTOZXVIYIJN-UHFFFAOYSA-N,3,1,0.573,97,183,428.427,3.975,5,0.404,0.75,1.0,0.862106778150915,0.8006133918168734,0.7521417312041669,0.6538448358577205,0.767176684257419
EOS-3-14742,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)cn4)n23)cc1C,CLNQIVZCNNZUDP-UHFFFAOYSA-N,3,1,0.364,62,3,454.921,4.842,5,0.42,0.83,1.0,0.23106709615516413,0.26774210129531906,0.7012627647179769,0.683100884106641,0.4707932115687753
EOS-3-14744,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cc2F)cn1,MGFGIURVECPALT-UHFFFAOYSA-N,3,1,0.578,35,545,433.422,3.487,5,0.408,0.71,1.0,0.712605373175245,0.6692653005277226,0.7925176478651224,0.7533496676033171,0.7319344972928518
EOS-3-14745,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)c(F)c1,OZTXFQPUBKFPDT-UHFFFAOYSA-N,3,1,0.318,25,581,469.419,2.779,6,0.383,0.71,0.986,0.14255362894935233,0.27283942156123636,0.2727366184634364,0.42568192721540676,0.2784528990473579
EOS-3-14746,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)cn1,RLEGNSYCZVVVQR-UHFFFAOYSA-N,3,1,0.598,35,4,427.443,3.712,5,0.408,0.73,1.0,0.9513570008909602,0.9332722226029745,0.6284353368514838,0.5635237475155918,0.7691470769652525
EOS-3-14747,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)n(C)n1,UZCCJHCMZXJUOS-UHFFFAOYSA-N,3,1,0.528,89,408,441.455,1.968,5,0.422,0.64,1.0,0.36873757795901585,0.12961757247618394,0.11438558015214859,0.04759783428140635,0.1650846412171887
EOS-3-14748,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(Cl)cnn5)c(F)c4)n23)cn1,CNXCUJYSVSVTMA-UHFFFAOYSA-N,3,1,0.394,14,81,431.862,4.335,5,0.421,0.72,1.0,0.37342368583373314,0.4633935302583784,0.779941402234254,0.8074412308957577,0.6060499623055309
EOS-3-14749,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5nncc(C)n5)c(F)c4)n23)n1,WFXYURGDGFPRCU-UHFFFAOYSA-N,3,1,0.541,4,677,428.431,3.373,5,0.42,0.7,1.0,0.6518316085258036,0.639700842985402,0.35779761496813106,0.2956788431224728,0.4862522274004523
EOS-3-14750,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cc5cccnc5cn4)n23)cc1,UVGCIZVYTKDLDI-UHFFFAOYSA-N,3,1,0.286,10,543,421.399,3.393,6,0.428,0.74,0.788,0.2119200191899116,0.3716503323966829,0.3615242272633815,0.5173480227537524,0.3656106504009321
EOS-3-14751,O=C(O)c1ccc(Cc2cncc3nnc(-c4ccc(OCc5ccccc5F)cc4F)n23)cn1,MEXDPPLOCUOCQT-UHFFFAOYSA-N,3,1,0.415,14,358,473.439,4.333,5,0.375,0.82,0.78,0.6117384003837982,0.49438009732026594,0.8281217874031938,0.7585240901925845,0.6731910938249606
EOS-3-14752,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cccnc5-c5cncnc5)n34)n2)cc1,MSHVTOQFBPZDNP-UHFFFAOYSA-N,3,1,0.327,94,871,436.414,3.03,6,0.414,0.64,0.971,0.016097251730518812,0.18007675964635733,0.30228394215612364,0.38467205811801797,0.22078250291275445
EOS-3-14753,Fc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,SDGMFRCPSKLJRW-UHFFFAOYSA-N,3,1,0.291,42,174,446.449,4.511,6,0.393,0.78,0.842,0.2660458501816188,0.3575577410732643,0.7946251113700226,0.805445137413474,0.555918460009595
EOS-3-14754,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)c1,OQZFJIMXJFQDAQ-UHFFFAOYSA-N,3,1,0.5,15,561,431.887,3.862,5,0.379,0.79,1.0,0.6795627441573573,0.6692738674525393,0.48471660612706463,0.48787780138441506,0.580357754780344
EOS-3-14755,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)c(F)c1,BSKYEJDVWIDABQ-UHFFFAOYSA-N,3,1,0.563,26,393,429.459,3.83,5,0.391,0.75,1.0,0.6612209581248715,0.5927540949900624,0.5856778150914947,0.5142039613460352,0.5884642073881159
EOS-3-14756,N#Cc1cncc(-c2cccc(-c3nnc4cncc(COc5ccncc5F)n34)c2)c1,PLAKAFHMWBLSEA-UHFFFAOYSA-N,3,1,0.388,14,351,423.411,3.838,5,0.423,0.77,1.0,0.6824240970461243,0.6301744225892674,0.867675279281749,0.8440219998629293,0.7560739496950175
EOS-3-14757,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)cc1,MHDQKKXHIQCEHP-UHFFFAOYSA-N,3,1,0.455,89,398,453.422,2.069,5,0.362,0.71,0.998,0.47419642245219656,0.2022051264478103,0.20150263861284354,0.11556781577684874,0.24836800082242477
EOS-3-14758,Fc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nn5)c4)n23)c1,NGLQKJNJQPBELU-UHFFFAOYSA-N,3,1,0.612,19,159,447.861,4.057,5,0.387,0.73,1.0,0.8919539442121855,0.8860684668631348,0.6686827496401891,0.7138218764992118,0.7901317593036803
EOS-3-14759,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnccn6)n5)n34)cn2)cc1,BHUKJNPXSAFUCD-UHFFFAOYSA-N,3,1,0.364,32,93,428.459,4.372,6,0.411,0.77,1.0,0.1232694811870331,0.1262250702487835,0.4461140429031595,0.48192378863683094,0.2943830957439517
EOS-3-14760,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)cn1,PCHXWBRBFCJPPY-UHFFFAOYSA-N,3,1,0.5,75,496,444.886,3.622,5,0.391,0.71,1.0,0.6487646494414365,0.7497515591803167,0.33892467959701184,0.3365773421972449,0.5185045576040024
EOS-3-14761,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5cnco5)cn4)n23)c1,WLMVVGOBISBGOT-UHFFFAOYSA-N,3,1,0.287,42,219,456.857,3.352,6,0.392,0.74,1.0,0.20080871770269343,0.35756630799808103,0.2769344116236036,0.37517990542115004,0.302622335686382
EOS-3-14762,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)nn1,CCYWIAFKAVNZMI-UHFFFAOYSA-N,3,1,0.307,38,787,431.463,3.711,6,0.419,0.71,1.0,0.033496676033171136,0.037077650606538275,0.3805085326571174,0.3816136659584676,0.20817413131382362
EOS-3-14763,Cc1ccnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)c2)n1,UFEOUTDJHVXFMK-UHFFFAOYSA-N,3,1,0.404,31,602,429.419,2.502,5,0.401,0.68,1.0,0.5717908299636763,0.47180625042834623,0.12849530532520045,0.11785518470289905,0.3224868926050305
EOS-3-14764,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)nc5)n34)n2)cc1,GEYXLSKSZJNSCP-UHFFFAOYSA-N,3,1,0.337,3,118,452.428,4.379,6,0.395,0.75,0.992,0.02744842711260366,0.24742992255499965,0.7039356452607772,0.787523130697005,0.44158428140634637
EOS-3-14765,Cc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,LQIJPBMWFBMSMD-UHFFFAOYSA-N,3,1,0.58,4,850,429.871,4.184,5,0.413,0.73,1.0,0.7608714275923515,0.9098588170790213,0.601715098348297,0.5919745048317456,0.7161049619628539
EOS-3-14766,COc1ncccc1-c1cncc2nnc(-c3ccc(C)nc3-c3ncc(Cl)cn3)n12,NGSLTSJYHBOLBF-UHFFFAOYSA-N,3,1,0.313,82,856,430.859,3.676,5,0.425,0.69,1.0,0.4110410527037215,0.4324497978205743,0.1946747995339593,0.19813583715989308,0.30907537180453704
EOS-3-14767,NC(=O)c1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(Cl)nn5)c4)n23)cc1,BSTGRGREWMLTEK-UHFFFAOYSA-N,3,1,0.511,89,389,463.91,3.641,5,0.408,0.73,0.998,0.6577941881982043,0.44996915907066,0.41660955383455556,0.3589712836680145,0.4708360461928586
EOS-3-14768,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)cc1=O,UXUIPRLDQOSBSB-UHFFFAOYSA-N,3,1,0.5,43,521,462.872,3.924,5,0.393,0.74,1.0,0.6487732163662532,0.6067524501404976,0.8205743266397094,0.8222020423548763,0.7245755088753342
EOS-3-14769,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)cc2)n(C)n1,FNDOWDJCCMNHBH-UHFFFAOYSA-N,3,1,0.329,38,193,435.451,3.612,6,0.413,0.68,1.0,0.11532794188198205,0.08107737646494415,0.1846086628743746,0.16805736412857242,0.1372678363374683
EOS-3-14770,FC(F)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ncc(Cl)cn4)n23)cn1,DTUVXLVVCSTGDF-UHFFFAOYSA-N,3,1,0.383,50,243,436.813,4.296,5,0.414,0.73,0.999,0.3756596532108834,0.5124734425330684,0.7039442121855939,0.7243249263244466,0.5791005585634981
EOS-3-14771,COC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)nc1,NDASHWSTRLYLQN-UHFFFAOYSA-N,3,1,0.33,22,246,415.388,2.965,5,0.416,0.83,0.652,0.03909087793845521,0.11916592419984923,0.4533959289973271,0.39415564389006924,0.2514520937564252
EOS-3-14772,Cc1ccnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)n2)n1,DDGYZYFPTWEIPF-UHFFFAOYSA-N,3,1,0.473,7,156,444.886,3.888,5,0.402,0.73,1.0,0.5889503803714619,0.8006219587416901,0.34637790418751285,0.3493763278733466,0.5213316427935029
EOS-3-14773,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3nccnc3-c3cccnc3)n12,MCWBEMMAXCZDAT-UHFFFAOYSA-N,3,1,0.284,64,495,436.414,3.235,6,0.447,0.64,1.0,0.2793331505722706,0.2937684188883558,0.3463864711123295,0.4098331163045713,0.3323302892193818
EOS-3-14774,Cc1c(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)nnn1-c1ccccc1,LUGSRZANIYBAJB-UHFFFAOYSA-N,3,1,0.315,10,39,434.467,3.143,6,0.42,0.69,1.0,0.002210266602700295,0.028279418819820438,0.08914741964224522,0.10413953807141388,0.05594416078404496
EOS-3-14775,Cn1cc(F)c(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cc1=O,TZVCCERDVPXFQM-UHFFFAOYSA-N,3,1,0.495,35,76,443.442,2.708,5,0.398,0.7,1.0,0.5474693304091564,0.4545096292234939,0.5052429579878007,0.4604636419710781,0.4919213898978823
EOS-3-14776,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)cn1,OJPALMHJNYQPKI-UHFFFAOYSA-N,3,1,0.484,37,482,450.865,3.396,5,0.391,0.71,1.0,0.5114968131039682,0.6067610170653143,0.4947056404632993,0.5206205880337195,0.5333960146665753
EOS-3-14777,CCc1nc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)ccc1-c1cnc(C)cn1,IQQQICVUQWTTDX-UHFFFAOYSA-N,3,1,0.495,44,717,441.47,4.232,5,0.389,0.79,0.995,0.6173497361387157,0.5778476458090603,0.4313703652936742,0.3846806250428346,0.5028120930710712
EOS-3-14778,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cn1,GWQKMVWROVUVJJ-UHFFFAOYSA-N,3,1,0.375,82,155,413.376,1.943,5,0.472,0.76,1.0,0.24206702761976562,0.16329415393050511,0.16202624905763827,0.1495870742238366,0.17924362620793638
EOS-3-14779,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccc(F)nn5)cn4)n23)cc1,OKAWNEUHDDCKGK-UHFFFAOYSA-N,3,1,0.398,74,333,413.376,1.943,5,0.472,0.76,1.0,0.22555856349804673,0.1477794530875197,0.2405763827016654,0.2070797066684943,0.20524852648893152
EOS-3-14780,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)cc1F,QSTNBFGRSSALRU-UHFFFAOYSA-N,3,1,0.337,74,768,413.376,1.943,5,0.472,0.76,1.0,0.21192858611472826,0.16722637242135563,0.3689517510794325,0.3461037625933795,0.273552618052224
EOS-3-14781,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccccc6)n5)n34)cc2)nc1,HWYWBPYYWVHWML-UHFFFAOYSA-N,3,1,0.368,93,757,446.449,4.511,6,0.393,0.76,1.0,0.3340072647522445,0.40961037625933794,0.5429802618052224,0.5977828798574464,0.47109519566856284
EOS-3-14782,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccccc6)n5)n34)cn2)c1,AANQHYMGTBQXJI-UHFFFAOYSA-N,3,1,0.383,30,757,446.449,4.511,6,0.393,0.76,1.0,0.255182989514084,0.432458364745391,0.5261462545404701,0.607000890960181,0.4551971249400315
EOS-3-14783,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,GOOOCLHYOOBHEK-UHFFFAOYSA-N,3,1,0.317,30,498,446.449,4.511,6,0.393,0.76,1.0,0.1980758686861764,0.28833698855458845,0.5596429305736413,0.6799225549996574,0.43149458570351584
EOS-3-14784,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nc2)cn1,MUHQRQWARVXFCW-UHFFFAOYSA-N,3,1,0.398,46,128,435.81,2.805,5,0.41,0.63,0.991,0.5633866767185252,0.6019207045438969,0.3615327941881982,0.3941642108148859,0.48025109656637655
EOS-3-14785,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)nn2)ncc1F,BCASACCMXKNGFN-UHFFFAOYSA-N,3,1,0.389,31,658,430.407,1.897,5,0.394,0.67,0.865,0.637096497841135,0.5307466931670207,0.047477897333973,0.04900280995133987,0.3160809745733671
EOS-3-14786,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)nc1,ZOUXTRLADJGXNL-UHFFFAOYSA-N,3,1,0.271,64,495,429.447,3.767,6,0.417,0.72,0.987,0.06132204783770818,0.08108594338976081,0.3243866081831266,0.3846891919676513,0.21287094784456173
EOS-3-14787,COc1cc(-c2nnc3cncc(OCc4ccncn4)n23)ccc1-c1ccc(C)nn1,TVBNQGGYCDWRSH-UHFFFAOYSA-N,3,1,0.505,4,224,426.44,2.934,5,0.404,0.71,1.0,0.3595795353299979,0.2068055650743609,0.32072853128640944,0.18198718388047427,0.2672752038928106
EOS-3-14788,Fc1cc(F)c(-c2nncnc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,QHNSFJKZQBVRLU-UHFFFAOYSA-N,3,1,0.419,45,730,439.788,4.381,5,0.388,0.77,1.0,0.5295987252415872,0.7712459735453362,0.9270783359605236,0.9632907271605784,0.7978034404770065
EOS-3-14790,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnnc(C)c5)c4)n23)cn1,YLATUOSUZVJBCY-UHFFFAOYSA-N,3,1,0.318,82,204,422.452,2.978,5,0.474,0.63,1.0,0.14797649235830307,0.047786306627373036,0.26544616544445204,0.20109999314646015,0.1655772393941471
EOS-3-14791,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ncn4)n23)cn1,NIRAJCHQWNPGFP-UHFFFAOYSA-N,3,1,0.422,7,354,458.417,1.511,5,0.397,0.67,1.0,0.4963847577273662,0.4096189431841546,0.12015968747858269,0.06629943115619218,0.2731157048865739
EOS-3-14792,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)no4)n23)cc1,TZUGVIPRPPZHMC-UHFFFAOYSA-N,3,1,0.321,98,42,456.857,3.352,6,0.367,0.76,1.0,0.25027414159413336,0.31893804399972586,0.17810636693852375,0.25091666095538345,0.2495588033719416
EOS-3-14793,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)nc1,BIRDMIWVSILDKO-UHFFFAOYSA-N,3,1,0.359,25,74,465.908,4.364,6,0.381,0.82,1.0,0.22265437598519636,0.3477229113837297,0.47078678637516275,0.6160475635665822,0.4143029093276678
EOS-3-14794,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(C)nn5C)c4)n23)cc1,JFTTXRFQQZZAMP-UHFFFAOYSA-N,3,1,0.534,89,656,454.494,2.834,5,0.42,0.68,1.0,0.39161983414433554,0.11585909122061545,0.29501062298677266,0.1353488451785347,0.23445959838256458
EOS-3-14795,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4cnc(C(C)(C)O)nc4)n23)c(F)c1,GTDFBLXWLZIEFC-UHFFFAOYSA-N,3,1,0.291,82,478,444.474,3.498,5,0.442,0.65,1.0,0.3113306147625248,0.3236070180248098,0.43137893221849083,0.2779110410527037,0.3360569015146323
EOS-3-14796,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(C)(F)F)cn4)n23)cc1,KOAZJWXBSMKEQD-UHFFFAOYSA-N,3,1,0.488,36,895,449.425,3.068,5,0.389,0.73,0.999,0.4642587896648619,0.4096275101089713,0.6878298266054417,0.5537917209238572,0.528876961825783
EOS-3-14797,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)c2)nn1,OONOESVRDIJREF-UHFFFAOYSA-N,3,1,0.593,37,563,428.431,3.107,5,0.406,0.69,1.0,0.836937153039545,0.8697827427866494,0.27274518538825304,0.2629617572476184,0.5606067096155164
EOS-3-14798,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(Oc3ccc(-c4nnco4)cn3)n12,QWDKMSOJHPHZAC-UHFFFAOYSA-N,3,1,0.347,67,622,442.374,2.953,6,0.423,0.65,1.0,0.6487817832910698,0.5830649030224111,0.34639503803714616,0.30827222260297443,0.47162848673840035
EOS-3-14799,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1,STMPJQLUSQUAAN-UHFFFAOYSA-N,3,1,0.294,39,144,453.416,3.774,6,0.401,0.7,0.999,0.020869028853402784,0.14778802001233637,0.4982437804125831,0.6423737235282023,0.32731863820163115
EOS-3-14800,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)nc5)n4C)n23)cc1,HGOZTYIEBCPCLQ-UHFFFAOYSA-N,3,1,0.325,8,42,452.457,3.188,6,0.378,0.68,1.0,0.15106058529230348,0.24229833458981564,0.19468336645877596,0.2422554999657323,0.20757444657665686
EOS-3-14801,Cc1nc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)ccc1Cl,RADSVGWXJUNNNA-UHFFFAOYSA-N,3,1,0.398,68,900,421.77,3.536,4,0.497,0.64,1.0,0.685551024604208,0.7882941539305051,0.9043331505722706,0.8459581248714961,0.80603411349462
EOS-3-14802,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5cc(F)ncn5)n4)n23)cn1,DMKSQUXHKYHXFH-UHFFFAOYSA-N,3,1,0.341,82,974,454.429,2.132,6,0.396,0.64,0.993,0.1646305942019053,0.16330272085532177,0.05665307381262422,0.09782571448152971,0.12060302583784525
EOS-3-14803,Cc1nc(COc2cncc3nnc(-c4ccc(-c5nccn5C)cc4F)n23)ccc1F,RRERCVBZLHZLSH-UHFFFAOYSA-N,3,1,0.512,4,353,433.422,3.752,5,0.42,0.73,1.0,0.6173583030635323,0.6254797477897334,0.6608782811322048,0.5827222260297443,0.6216096395038037
EOS-3-14804,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnn(C)c6)n5)n34)cc2)nn1,AKCKMAYOPFGITQ-UHFFFAOYSA-N,3,1,0.307,38,270,445.49,4.019,6,0.404,0.71,1.0,0.04934548694400658,0.05529093276677404,0.3843122472757179,0.3332705092180111,0.20555479405112742
EOS-3-14805,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)c(F)c1,LMLBBGTYQMYDMV-UHFFFAOYSA-N,3,1,0.506,36,610,438.373,2.978,5,0.389,0.69,1.0,0.7724710437941197,0.7497601261051333,0.6988040572955931,0.6739856761017066,0.7237552258241382
EOS-3-14806,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnco6)nc5)n34)cn2)cc1,YMBVLBFIXOPYQB-UHFFFAOYSA-N,3,1,0.333,42,106,418.42,3.965,6,0.423,0.82,1.0,0.189834487012542,0.10001884723459667,0.3729268041943664,0.40029812898362005,0.2657695668562813
EOS-3-14807,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4c[nH]nn4)nc3)n12,RKBHLRNSCFBNKC-UHFFFAOYSA-N,3,1,0.278,98,615,437.402,2.63,6,0.441,0.6,1.0,0.22002433006647934,0.2728479884860531,0.43525974916044136,0.4668631348091289,0.3487488006305257
EOS-3-14808,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)cnn1,ILHQBPVIYLDWBK-UHFFFAOYSA-N,3,1,0.291,9,339,444.462,3.471,6,0.402,0.67,1.0,0.11533650880679872,0.09066376533479542,0.39145706257281887,0.3785381399492838,0.24399886916592423
EOS-3-14809,Cc1cnccc1-c1cccnc1-c1nnc2cncc(-c3cnc(-c4ccncc4)nn3)n12,YEPPSENJKDVWKM-UHFFFAOYSA-N,3,1,0.288,86,957,444.462,3.471,6,0.402,0.67,0.87,0.07447227743129327,0.047794873552189705,0.20862175313549447,0.23056164759098075,0.14036263792748954
EOS-3-14810,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,WKTSOCKAXRYWQR-UHFFFAOYSA-N,3,1,0.547,15,561,432.875,3.257,5,0.38,0.73,1.0,0.7549859502433006,0.6789801932698238,0.2804639846480707,0.30531663354122407,0.5049366904256047
EOS-3-14811,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccccc5F)n34)nn2)ccc1F,FEVDHSFTFZROHX-UHFFFAOYSA-N,3,1,0.42,19,691,431.406,3.809,5,0.418,0.7,1.0,0.7549945171681174,0.6352289082311013,0.6466914536358029,0.6510263175930368,0.6719852991570145
EOS-3-14812,Fc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5ccccn5)c4)n23)c1,IIYPPFCSEXLMTP-UHFFFAOYSA-N,3,1,0.667,11,732,429.43,4.753,5,0.39,0.84,1.0,0.8771331642793503,0.8453755739839627,0.8928620382427523,0.8974967445685696,0.8782168802686587
EOS-3-14813,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cn(C)nn5)cn4)n23)ccc1Cl,CRCRQSVEYJYEDE-UHFFFAOYSA-N,3,1,0.472,7,212,433.863,2.918,5,0.416,0.68,1.0,0.3664759098074155,0.5678757453224591,0.2804725515728874,0.29568741004728943,0.3776279041875129
EOS-3-14814,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)nc2)n(C)n1,JCXSYDWKQPITEJ-UHFFFAOYSA-N,3,1,0.291,99,259,449.482,2.753,6,0.403,0.65,1.0,0.07070283051195943,0.05918888355835789,0.09840826536906312,0.07939825920087726,0.07692455966006442
EOS-3-14815,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncnc4-c4ccnc(F)c4)n23)cn1,WHZXARVVHZAZCU-UHFFFAOYSA-N,3,1,0.418,55,879,443.402,1.855,5,0.388,0.68,1.0,0.5917860324857789,0.34773147830854634,0.2368754711808649,0.18199575080529093,0.3395971831951203
EOS-3-14816,Cc1nc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n(C)n1,ARASGIQRDMSRQQ-UHFFFAOYSA-N,3,1,0.389,53,105,434.851,2.313,5,0.41,0.68,1.0,0.34589815639777943,0.4587416900829278,0.05297786306627373,0.07575731615379343,0.2333437564251936
EOS-3-14817,COc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cn3c(C(F)(F)F)cnc3C)n12,DDMUBAZXLFPXHI-UHFFFAOYSA-N,3,1,0.324,63,455,472.431,2.659,5,0.459,0.67,0.993,0.36404290315948185,0.3378024124460284,0.2122369954081283,0.1521742855184703,0.2665641491330272
EOS-3-14818,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)c(Cl)c1,IFGCDJXREQEKPO-UHFFFAOYSA-N,3,1,0.294,25,219,466.896,3.759,6,0.386,0.76,0.996,0.15373346583510383,0.262533411006785,0.28793434308820504,0.44798163251319306,0.2880457131108217
EOS-3-14819,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncncn5)c(Cl)c4)n23)c1,FCNCVCAGXBNXLF-UHFFFAOYSA-N,3,1,0.615,43,337,433.834,4.015,5,0.413,0.71,1.0,0.9663148516208622,0.9501147967925434,0.8051966965937907,0.8281731889520938,0.8874498834898226
EOS-3-14820,Cc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3c(F)cncc3F)n12,GDCDKFJCFBNZTI-UHFFFAOYSA-N,3,1,0.471,24,980,431.406,3.809,5,0.418,0.72,1.0,0.8342899732711946,0.7036015351929271,0.6284439037763004,0.597791446782263,0.6910317147556713
EOS-3-14821,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nc4)n23)n1,KBGHPZXUIGQPMF-UHFFFAOYSA-N,3,1,0.448,59,756,431.406,3.809,5,0.418,0.72,1.0,0.8191950517442259,0.8006305256665067,0.677198272907957,0.6480792954561031,0.7362757864436982
EOS-3-14822,CCn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nc1,GBQBYRFEDLSGQC-UHFFFAOYSA-N,3,1,0.315,38,42,435.451,3.787,6,0.402,0.7,1.0,0.21443012816119525,0.11586765814543211,0.22241450209032965,0.19535158659447605,0.18701596874785828
EOS-3-14823,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccccc4F)ncn3)n12,LOUCNNNFZYBWIB-UHFFFAOYSA-N,3,1,0.5,44,130,431.406,3.543,5,0.406,0.71,1.0,0.7281971763415804,0.6211277499828661,0.6988126242204098,0.7191333698855459,0.6918177301076006
EOS-3-14824,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)nn1C,KOVHZCJWDHMVGF-UHFFFAOYSA-N,3,1,0.517,75,486,433.863,2.918,5,0.389,0.76,1.0,0.34819409224864645,0.4144249880063053,0.09134911932012885,0.10616133232814749,0.240032382975807
EOS-3-14825,Cn1ccnc1-c1nc(CCOc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)ccc1F,WCJBBHGKOUYWIE-UHFFFAOYSA-N,3,1,0.505,87,510,459.445,1.841,5,0.389,0.68,1.0,0.4889829346857652,0.3035775478034405,0.07737646494414364,0.054168665615790555,0.23102640326228496
EOS-3-14826,Fc1cccc(Cn2nccc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,XMSSAZQYFKQAGX-UHFFFAOYSA-N,3,1,0.315,3,7,437.442,3.627,6,0.442,0.68,1.0,0.1343379480501679,0.2883455554794051,0.5052515249126174,0.5538002878486739,0.37043382907271605
EOS-3-14827,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cc(-c2cnc(F)cn2)n1,ROWDLFPFJRCDJM-UHFFFAOYSA-N,3,1,0.434,7,85,458.417,1.559,5,0.395,0.69,1.0,0.5163970940991022,0.33781097937084503,0.07942395997532725,0.04760640120622302,0.24530960866287438
EOS-3-14828,c1cnnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)cc2)c1,LSSPHQYNRSNSCP-UHFFFAOYSA-N,3,1,0.282,42,150,418.424,2.891,6,0.429,0.72,1.0,0.009209444177917895,0.031020834761154137,0.3843208142005346,0.38162223288328423,0.20154333150572273
EOS-3-14829,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3cc(-c4cncnn4)ccc3O)n12,FMQRXPYPHMJBEN-UHFFFAOYSA-N,3,1,0.3,14,740,438.451,2.347,5,0.425,0.69,1.0,0.26605441710643546,0.12962613940100062,0.3464036049619629,0.23936844630251525,0.24536315194297853
EOS-3-14830,Cn1cnnc1-c1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,VFFANQKZPUBLNY-UHFFFAOYSA-N,3,1,0.506,65,779,434.851,2.047,5,0.395,0.66,1.0,0.622806867246933,0.5678843122472758,0.049251250771023235,0.07753923651566035,0.3293704166952231
EOS-3-14831,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)c5)n34)nc2)cc1,ZNISXWNSPZOFQT-UHFFFAOYSA-N,3,1,0.295,30,737,417.436,3.7,6,0.466,0.77,1.0,0.07448084435610994,0.12260982797614968,0.4166181207593722,0.4939603180042492,0.27691727777397024
EOS-3-14832,Cc1c(Cl)c(-c2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)nn1C,MDFCKZVIGRWHBS-UHFFFAOYSA-N,3,1,0.351,22,844,423.843,3.088,5,0.443,0.67,1.0,0.18984305393735865,0.3428740319374957,0.21224556233294498,0.29262045096292233,0.2593957747926804
EOS-3-14833,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)cn4)n23)c(F)c1,AZDLIXMFZYYFHM-UHFFFAOYSA-N,3,1,0.512,73,82,431.406,3.809,5,0.418,0.74,1.0,0.7893992872318553,0.8242666712356932,0.6745253923651566,0.6335412240422178,0.7304331437187308
EOS-3-14834,Cn1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)s2)nn1,BQSVEKWXRMNJID-UHFFFAOYSA-N,3,1,0.307,98,541,438.48,3.167,6,0.412,0.68,0.975,0.034661777808237954,0.047803440477006374,0.04414536358028922,0.08275649372901103,0.05234176889863615
EOS-3-14835,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)n1,ZCGAHQURAHEHGC-UHFFFAOYSA-N,3,1,0.406,18,116,431.847,2.708,5,0.4,0.67,1.0,0.6033171132890138,0.5830734699472278,0.13138235898841752,0.1708244808443561,0.37214935576725383
EOS-3-14836,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccc4F)n23)cc1,LLTVBQXSEJZMFH-UHFFFAOYSA-N,3,1,0.536,97,230,430.418,4.414,5,0.411,0.77,1.0,0.9534644643958604,0.8964258789664862,0.8869765608937016,0.8530515386196971,0.8974796107189363
EOS-3-14837,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cc(-c2csnn2)n1,TWBXJRNCXJEBOB-UHFFFAOYSA-N,3,1,0.5,89,926,445.468,2.086,5,0.415,0.66,0.973,0.36405147008429856,0.2068141319991776,0.06851826468370914,0.03532143101912138,0.16867632444657665
EOS-3-14838,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C)nc(-c5cncn5C)c4)n23)cc1F,LASKBSKGZIUMFS-UHFFFAOYSA-N,3,1,0.474,89,788,472.484,2.973,5,0.404,0.73,1.0,0.579972243163594,0.3085720649715578,0.4276951545473237,0.26297032417243504,0.39480244671372766
EOS-3-14839,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccnc(C(F)(F)F)n5)cs4)n23)cc1,HNACPQHDLNRXBP-UHFFFAOYSA-N,3,1,0.375,74,423,468.424,3.49,5,0.428,0.68,0.987,0.2763689945857035,0.30358611472825714,0.562898362003975,0.3719930093893496,0.3787116201768213
EOS-3-14840,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)nc1,XLUVAKIOPVYFBH-UHFFFAOYSA-N,3,1,0.489,58,583,448.849,3.452,5,0.389,0.68,1.0,0.7921749708724556,0.8006390925913234,0.42427695154547324,0.49093619354396545,0.6270068021383044
EOS-3-14841,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3nc(-c4ccc(Cl)nc4)ns3)n12,NPSDRQAWYMJPTR-UHFFFAOYSA-N,3,1,0.337,74,155,448.899,3.433,5,0.417,0.68,0.866,0.09032965526694538,0.23694400657939826,0.17508224247824,0.2011085600712768,0.17586611609896513
EOS-3-14842,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)cn1,FSDJWHUGPUFZEQ-UHFFFAOYSA-N,3,1,0.311,10,37,420.44,2.834,6,0.432,0.73,1.0,0.004951682544033994,0.013175930368035091,0.2260725789870468,0.23937701322733193,0.12089430128161195
EOS-3-14843,FC(F)Oc1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cc1,JBZIRSMLNOYSNO-UHFFFAOYSA-N,3,1,0.493,29,704,417.379,3.912,5,0.428,0.83,1.0,0.537163319854705,0.6067695839901309,0.7271348776643136,0.7243334932492632,0.6488503186896032
EOS-3-14844,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1Cl,DJNOJGZXFLFPNX-UHFFFAOYSA-N,3,1,0.627,90,636,412.812,2.699,4,0.488,0.79,1.0,0.7867435405386882,0.4764666575286135,0.6168871221986156,0.6006785004454801,0.6201939551778494
EOS-3-14845,COc1cc(-c2nnc3cncc(OCc4nncc(-c5cccnc5)n4)n23)ccc1F,AWCXOOAXUUDIKX-UHFFFAOYSA-N,3,1,0.452,16,67,430.403,2.765,5,0.401,0.67,1.0,0.7921835377972722,0.7542406277842506,0.3952779110410527,0.33658590912206154,0.5695719964361592
EOS-3-14846,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)nn1,NCWQEBZEXFZYQT-UHFFFAOYSA-N,3,1,0.459,53,52,451.372,3.031,5,0.397,0.68,0.995,0.5064680282365842,0.5307552600918375,0.6522770886162703,0.5072304845452676,0.5491827153724899
EOS-3-14847,CN1CCC(COc2cncc3nnc(-c4cc(F)cc(-c5ncc(F)cn5)c4)n23)C1,AHEHBTLJWMDSIH-UHFFFAOYSA-N,3,1,0.494,90,636,423.427,2.857,5,0.488,0.66,1.0,0.3340158316770612,0.18008532657117401,0.1405661023918854,0.3235898841751765,0.24456428620382425
EOS-3-14848,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3cnnc(-c4ccccc4)c3)n12,FLCNFUHQFRKXDW-UHFFFAOYSA-N,3,1,0.359,62,319,421.464,3.246,5,0.466,0.66,0.997,0.12601946405318348,0.08109451031457748,0.3652337057089987,0.3114762524844082,0.22095598314029197
EOS-3-14849,Cn1ncnc1-c1cncc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)n1,YYUMALGQAFPARA-UHFFFAOYSA-N,3,1,0.529,27,343,469.387,2.854,5,0.37,0.74,1.0,0.5859348228359947,0.5830820368720444,0.6933126584881091,0.5635323144404085,0.6064654581591391
EOS-3-14850,FC(F)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ccc(Cl)nc5)n4)n23)cn1,YFPYQWTYFUIODP-UHFFFAOYSA-N,3,1,0.386,50,243,425.79,3.624,5,0.438,0.75,0.456,0.2337656774724145,0.4456257281886094,0.658034062093071,0.6885837159893085,0.5065022959358509
EOS-3-14851,OCc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)n1,HXTAGWKOHACQQM-UHFFFAOYSA-N,3,1,0.61,59,294,446.417,3.598,5,0.426,0.72,1.0,0.8685748063874992,0.8384363648824618,0.8463265026386129,0.8011017065314234,0.8386098451099993
EOS-3-14852,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ncccc5C)nc(C)n4C)n23)nc1,RTCQFYDKISGDFZ-UHFFFAOYSA-N,3,1,0.304,33,432,439.483,2.625,5,0.458,0.61,0.045,0.1073007333287643,0.0630954012747584,0.031654787197587554,0.012893221849085052,0.05373603591254883
EOS-3-14853,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cccnc6)cn5)n34)cc2)nc1,QWUGLWKFKVPOTR-UHFFFAOYSA-N,3,1,0.459,41,518,459.473,3.679,6,0.368,0.73,1.0,0.6033256802138305,0.48500788157083136,0.34641217188677953,0.3018984305393736,0.4341610410527037
EOS-3-14854,c1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccncn6)c5)n34)nn2)ccn1,SEVCOSFDRJARKA-UHFFFAOYSA-N,3,1,0.256,86,151,419.412,2.286,6,0.423,0.73,0.663,0.00043691316565005827,0.0034267699266671238,0.1651617435405387,0.18722157494345829,0.08906175039407854
EOS-3-14855,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cnc(C)nc5)n34)c2)cn1,SCCMAWPGFZWXNG-UHFFFAOYSA-N,3,1,0.549,65,426,424.468,3.277,5,0.409,0.72,1.0,0.7035415667192104,0.4943886642450826,0.23351723665273114,0.157648550476321,0.3972740045233363
EOS-3-14856,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)nc1,CKJUWFQKOSUMSE-UHFFFAOYSA-N,3,1,0.418,44,481,448.849,3.452,5,0.389,0.67,0.773,0.6518401754506202,0.6165787129052156,0.46373620725104514,0.5372232883284216,0.5673445959838257
EOS-3-14857,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)nc2)nc1,XCNDRJLVJHIMAA-UHFFFAOYSA-N,3,1,0.467,18,263,432.394,2.938,5,0.403,0.69,1.0,0.8139777945308752,0.7883027208553218,0.4847251730518813,0.47305702145157974,0.6400156774724145
EOS-3-14859,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4F)n23)cn1,SZNGMQFKVHLDGU-UHFFFAOYSA-N,3,1,0.467,55,283,444.405,3.316,5,0.409,0.68,1.0,0.7839078884243712,0.6594561716126379,0.8529059008978137,0.785227194846138,0.7703742889452403
EOS-3-14860,CCCCCOc1cncc2nnc(-c3cc(-c4ccc(C(F)(F)F)nn4)ccn3)n12,HJRUSIUNXMKGOB-UHFFFAOYSA-N,3,1,0.438,68,457,429.406,4.231,4,0.406,0.8,0.996,0.6033342471386471,0.5445051744225893,0.559651497498458,0.43535398533342473,0.5357112260982798
EOS-3-14861,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)cc1,KRBUSUAATKZLBF-UHFFFAOYSA-N,3,1,0.316,38,725,437.492,3.772,6,0.414,0.7,1.0,0.09971043794119663,0.11587622507024878,0.2804811184977041,0.28075526009183743,0.19420576040024673
EOS-3-14862,Cn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,SIQKVADHSWMNHH-UHFFFAOYSA-N,3,1,0.329,8,50,437.492,3.772,6,0.414,0.7,1.0,0.09033822219176205,0.09389349599067918,0.1343722157494346,0.19536015351929273,0.12849102186279213
EOS-3-14863,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5cc(F)ccn5)c4)n23)cc1,ONDHMEIWIQAATP-UHFFFAOYSA-N,3,1,0.489,89,656,473.443,3.465,5,0.376,0.79,1.0,0.722020423548763,0.40963607703378796,0.7039527791104105,0.582730792954561,0.6045850181618806
EOS-3-14864,Cc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)nn1,JMXQICBZMWQIHH-UHFFFAOYSA-N,3,1,0.547,72,992,429.871,4.184,5,0.387,0.76,1.0,0.6340638064560346,0.6165872798300323,0.6168956891234323,0.5949300938934959,0.6156192173257488
EOS-3-14865,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(OC6CCCC6)nc5)n34)nn2)ccn1,HMLIBZCTVSEGLT-UHFFFAOYSA-N,3,1,0.278,52,523,436.479,4.027,6,0.407,0.76,0.955,0.2931344664519224,0.14779658693715303,0.05110170653142348,0.1576571174011377,0.16242246933040916
EOS-3-14866,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccccn5)c4)n23)nc1,XHDQSBRVEHPGOP-UHFFFAOYSA-N,3,1,0.452,33,53,439.439,1.977,5,0.421,0.62,0.992,0.45724247824001096,0.13650538002878487,0.12850387225001714,0.06985470495510931,0.19802660886848056
EOS-3-14867,c1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)nc1,YQGHFAQALDWZKI-UHFFFAOYSA-N,3,1,0.28,86,557,430.435,3.162,6,0.415,0.67,1.0,0.09252278802001233,0.08110307723939415,0.18121616064697416,0.19536872044410938,0.1375526865876225
EOS-3-14868,c1cnc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cncnn6)c5)n34)cc2)nc1,MLUWBMXJCTTYMB-UHFFFAOYSA-N,3,1,0.308,42,608,430.435,3.162,6,0.415,0.67,1.0,0.14256219587416902,0.08773387704749504,0.37293537111918307,0.37200157631416625,0.2438082550887533
EOS-3-14869,Cc1nc(Cc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc(-c2cncnc2)n1,WBFQSBCIWOBZCT-UHFFFAOYSA-N,3,1,0.387,85,81,432.85,3.73,5,0.427,0.66,1.0,0.42490233705708996,0.512482009457885,0.5951014323898294,0.6453293125899527,0.5444537728736892
EOS-3-14870,Cc1cccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cn(C)cn5)cn4)n23)c1,LYQIXHMEYNNDEO-UHFFFAOYSA-N,3,1,0.27,94,515,445.49,4.019,6,0.404,0.74,0.989,0.1343465149749846,0.07407819888972654,0.3914656294976355,0.362492289767665,0.2405956582825029
EOS-3-14871,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccc(F)c4F)n23)nc1,JYDYRAMDHPTSQB-UHFFFAOYSA-N,3,1,0.433,46,665,437.385,3.583,5,0.391,0.71,1.0,0.7157494345829621,0.6497155780960866,0.822621821670893,0.7899390034953053,0.7445064594613118
EOS-3-14872,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)cnn4)n23)c1,HLHYMZZVWBEMBB-UHFFFAOYSA-N,3,1,0.539,19,207,431.406,3.543,5,0.38,0.75,1.0,0.7067884312247276,0.6642964841340553,0.7349564800219314,0.7533582345281338,0.714849907477212
EOS-3-14873,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)nc1,ZCNGZECNXZLKRL-UHFFFAOYSA-N,3,1,0.452,80,621,460.461,3.074,6,0.365,0.69,1.0,0.6001302172572134,0.4675656226440957,0.27694297854842026,0.22756322390514702,0.3930505105887191
EOS-3-14874,c1cnc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5cnccn5)n4)n23)nc1,GLHNTYPOQLPLGU-UHFFFAOYSA-N,3,1,0.297,86,557,430.435,3.162,6,0.415,0.66,1.0,0.07267322321979303,0.08111164416421081,0.13438078267425124,0.16038139949283806,0.11213676238777329
EOS-3-14875,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4cnc(C#N)c(F)c4)n23)c1,MCMOCVNSJBNYHZ-UHFFFAOYSA-N,3,1,0.327,22,917,416.355,2.194,5,0.438,0.79,1.0,0.2714173120416695,0.4096446439586046,0.48473373997669794,0.5602340483859913,0.4315074360907409
EOS-3-14876,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccn2)nn1,HSZKEHXMNMXVGI-UHFFFAOYSA-N,3,1,0.474,89,398,479.504,2.818,6,0.374,0.83,1.0,0.3264855047632102,0.10002741415941334,0.06646220272770886,0.06476595161400864,0.13943526831608527
EOS-3-14877,Clc1cnc(-c2ccc(CCc3cncc4nnc(-c5cnc(Cl)nc5)n34)cn2)nc1,BWNIOASZHZIZQH-UHFFFAOYSA-N,3,1,0.352,85,580,450.293,3.525,5,0.375,0.71,1.0,0.3664844767322322,0.3765334795421835,0.247626961825783,0.36569631964909877,0.3390853094373244
EOS-3-14878,Fc1cnc(-c2nc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncc2F)nc1,LOQRMZRFLGUWEH-UHFFFAOYSA-N,3,1,0.397,50,261,439.336,3.316,5,0.393,0.67,0.881,0.3709564114865328,0.5537317524501405,0.5764512370639435,0.5949386608183127,0.5240195154547325
EOS-3-14879,Fc1cc(-c2nnc3cncc(OCc4nnc(-c5cccnn5)s4)n23)ccc1Cl,QYQROTGPIHCTBY-UHFFFAOYSA-N,3,1,0.548,72,391,440.851,3.471,5,0.409,0.73,1.0,0.7190219998629293,0.8860770337879514,0.2727537523130697,0.4193595367007059,0.5743030806661641
EOS-3-14880,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)cn1,OHHYWZFDKPMRKX-UHFFFAOYSA-N,3,1,0.654,84,282,443.898,4.227,5,0.388,0.76,1.0,0.831908368172161,0.9032451511205538,0.5764598039887602,0.5700860119251594,0.7204248338016586
EOS-3-14881,Cn1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)n1,WQUATKSSQPTAMB-UHFFFAOYSA-N,3,1,0.523,36,51,436.386,2.288,5,0.394,0.69,1.0,0.44785312864094307,0.40500137070797065,0.3022925090809403,0.2897248303748886,0.36121795970118564
EOS-3-14882,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)nn5)n34)cn2)cc1,YWRSIYBHYIIIRH-UHFFFAOYSA-N,3,1,0.271,10,195,423.465,3.558,6,0.427,0.74,0.453,0.000805290932766774,0.012027962442601604,0.1911023918854088,0.2540692892879172,0.1145012336371736
EOS-3-14883,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)n2)cc1,YVCOFBLYHKKFTF-UHFFFAOYSA-N,3,1,0.286,10,952,423.465,3.558,6,0.427,0.74,0.904,0.005868343499417449,0.031029401685970803,0.09841683229387979,0.1654787197587554,0.07519832430950585
EOS-3-14884,Cn1ccnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,CXKLSRALHORISB-UHFFFAOYSA-N,3,1,0.315,42,762,431.463,3.711,6,0.419,0.68,1.0,0.1204509629223494,0.04416249742992256,0.37687615653485024,0.34611232951819615,0.22190048660132958
EOS-3-14885,COc1cncc(F)c1COc1cncc2nnc(-c3ccc(-c4nccn4C)cc3F)n12,VCXURBWSCFGYGG-UHFFFAOYSA-N,3,1,0.472,16,353,449.421,3.453,5,0.392,0.73,1.0,0.7950877253101227,0.6692824343773559,0.6960712082790761,0.5795952984716606,0.6850091666095538
EOS-3-14886,Cc1nn(C)cc1-c1cnc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)nc1,CDOBSBAIXCWITP-UHFFFAOYSA-N,3,1,0.418,92,986,442.443,1.363,5,0.411,0.65,1.0,0.2660629840312521,0.1329843739291344,0.04263758481255568,0.013895552052635186,0.11389512370639435
EOS-3-14887,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cn1,SKRCRXKHUKMLDE-UHFFFAOYSA-N,3,1,0.262,86,495,448.454,2.204,6,0.394,0.66,1.0,0.044933520663422655,0.047812007401823044,0.032991227468987736,0.04111267219518881,0.04171235693235556
EOS-3-14888,Cc1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1C,LXCHWGTZPKRMGL-UHFFFAOYSA-N,3,1,0.64,43,372,449.877,4.267,5,0.398,0.75,1.0,0.8809968473716675,0.9032537180453705,0.6137344938660818,0.6711500239873894,0.7672837708176273
EOS-3-14889,Cn1ccnc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cn4)n23)c(F)c1,GPFCIRQHKGKPBQ-UHFFFAOYSA-N,3,1,0.282,86,287,456.42,3.317,6,0.433,0.67,1.0,0.2119371530395449,0.2728565554108697,0.5090209718319512,0.510468782125968,0.37607086560208347
EOS-3-14890,Cc1noc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cn2)n1,XMVXJUQZPCIOBE-UHFFFAOYSA-N,3,1,0.291,10,952,423.4,2.187,6,0.414,0.75,1.0,0.054237201014323895,0.0704972243163594,0.01930984853676924,0.02209409910218628,0.0415345932424097
EOS-3-14891,Cc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ncc1-c1ncnn1C,IFDLGDACLZATOE-UHFFFAOYSA-N,3,1,0.411,13,251,436.838,3.875,5,0.422,0.73,0.99,0.4337177026934412,0.4991690082927832,0.4882804468507984,0.5342334315674045,0.4888501473511069
EOS-3-14892,Fc1ccc(-c2nccnc2-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cc1,ICRZZDGDPSMUMB-UHFFFAOYSA-N,3,1,0.321,64,449,447.437,3.906,6,0.4,0.71,0.996,0.27934171749708725,0.36200397505311493,0.522745185388253,0.5856949489411281,0.4374464567198958
EOS-3-14894,Fc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncncn6)cc5)n34)ncn2)c1,AHNLUHPMKQZKAG-UHFFFAOYSA-N,3,1,0.317,94,566,448.425,3.301,6,0.4,0.66,1.0,0.3364317044753615,0.3669128229730656,0.49471420738811595,0.4878863683092317,0.4214862757864437
EOS-3-14895,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)nc4)n23)c1,IQRFAQHYZYUBSG-UHFFFAOYSA-N,3,1,0.318,39,596,448.425,3.301,6,0.4,0.66,0.973,0.17826057158522376,0.25235590432458366,0.3317541635254609,0.4256904941402234,0.29701528339387295
EOS-3-14897,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cn1,MRSKUDVIKVYECJ-UHFFFAOYSA-N,3,1,0.494,55,283,430.859,3.579,5,0.416,0.71,1.0,0.7126139401000616,0.7130765540401618,0.4496950174765266,0.4321156877527243,0.5768752998423685
EOS-3-14898,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnnn5C)c4)n23)nc1,DBHDOOSPIUMCNM-UHFFFAOYSA-N,3,1,0.378,33,760,443.431,0.71,5,0.397,0.67,1.0,0.3035175793297238,0.08112021108902748,0.02945308751970393,0.011625316976218217,0.10642904872866835
EOS-3-14899,c1ccc(-c2ncc(-c3nnc4cncc(-c5cncc(-c6cncnn6)c5)n34)cn2)nc1,KIGMWRKVSBASAO-UHFFFAOYSA-N,3,1,0.281,86,780,431.423,2.557,6,0.41,0.67,1.0,0.12897505311493387,0.05919745048317456,0.18122472757179084,0.20429545610307723,0.14342317181824413
EOS-3-14900,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)nn1,UHHGFKSNJNLDCQ-UHFFFAOYSA-N,3,1,0.316,38,725,431.463,3.711,6,0.419,0.72,1.0,0.036101021177438145,0.06310396819957508,0.4391062984031252,0.4479901994380097,0.24657537180453704
EOS-3-14901,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)nc2)n1,BKYLMYZEXRKEPW-UHFFFAOYSA-N,3,1,0.269,99,813,435.455,2.444,6,0.414,0.63,1.0,0.024998286615036665,0.017536495099719007,0.11141285724076486,0.09994174491124666,0.0634723459666918
EOS-3-14902,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nncn5C)on4)n23)cc1,SEWUIQVOJYHBTP-UHFFFAOYSA-N,3,1,0.287,38,193,435.451,3.612,6,0.413,0.7,1.0,0.09034678911657872,0.077547803440477,0.1812332944966075,0.19293571379617572,0.13551590021245974
EOS-3-14903,Clc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ccccn1,DSBTXXZPWJYHGZ-UHFFFAOYSA-N,3,1,0.535,35,846,429.871,3.918,5,0.404,0.72,1.0,0.8509526420396134,0.8806627373038174,0.505260091837434,0.560242615310808,0.6992795216229182
EOS-3-14904,Fc1ccc(F)c(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)c1,XBEZDXLRNNWODH-UHFFFAOYSA-N,3,1,0.398,73,877,451.824,4.154,5,0.396,0.75,1.0,0.7521417312041669,0.8579860873140978,0.79936262079364,0.8494791309711466,0.8147423925707628
EOS-3-14906,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5F)n4C)n23)cc1,GLGSKNPXVIWRAC-UHFFFAOYSA-N,3,1,0.325,8,890,453.445,2.583,6,0.374,0.69,1.0,0.1180779247481324,0.2523644712494003,0.08659447604687821,0.1288551161675005,0.14647299705297784
EOS-3-14907,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)c(F)cn1,OTYWNFJTFPXAPH-UHFFFAOYSA-N,3,1,0.484,65,658,432.394,2.938,5,0.377,0.74,0.999,0.7369954081282982,0.7962870947844561,0.5363237612226716,0.517356589678569,0.6467407134534987
EOS-3-14908,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccnc(-c4cccnn4)c3)n12,UIDGZRUGMJFUPD-UHFFFAOYSA-N,3,1,0.479,75,583,448.849,3.452,5,0.389,0.7,0.996,0.7695582893564527,0.7584898224933178,0.4882890137756151,0.5406586251799054,0.6392489377013227
EOS-3-14909,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1,HIIGFMGLNVBUKL-UHFFFAOYSA-N,3,1,0.32,74,997,411.429,2.184,5,0.471,0.85,1.0,0.012070797066684943,0.008652594064834486,0.13139092591323417,0.08623466520457816,0.05958724556233294
EOS-3-14910,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)ccc2F)cn1,UACNQYUSOUIILU-UHFFFAOYSA-N,3,1,0.54,65,847,430.447,3.051,5,0.408,0.71,1.0,0.5947587553971626,0.5880765540401618,0.4128401069152217,0.3428740319374957,0.48463736207251046
EOS-3-14911,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncc(C#N)n5)c4)n23)cn1,HLDZZGFYFIXXTJ-UHFFFAOYSA-N,3,1,0.478,89,205,420.436,3.402,5,0.425,0.77,1.0,0.7220289904735796,0.6497241450209033,0.5793211568775273,0.48505928311973134,0.6090333938729353
EOS-3-14912,CC(O)Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cncn5C)cn4)n23)cc1F,WKFVQMZIWOBHBJ-UHFFFAOYSA-N,3,1,0.314,50,974,430.447,2.711,5,0.457,0.68,0.901,0.23377424439723116,0.33277362757864437,0.5052686587622507,0.422606401206223,0.3736057329860873
EOS-3-14913,Cc1cnc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)cn1,KHEALIYXVSROAW-UHFFFAOYSA-N,3,1,0.315,98,882,448.454,2.204,6,0.394,0.64,0.999,0.047752038928106366,0.025872112946336782,0.03968199575080529,0.032091700363237614,0.03634946199712152
EOS-3-14914,Cc1nc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)n1,IFYSZLGJQZGGFE-UHFFFAOYSA-N,3,1,0.329,82,974,425.456,2.636,5,0.462,0.65,0.992,0.2008172846275101,0.12623363717360017,0.3503872250017134,0.1603899664176547,0.20945702830511959
EOS-3-14915,c1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccncn6)cn5)n34)cn2)ccn1,ZPMKNGVHFYEYAJ-UHFFFAOYSA-N,3,1,0.311,86,443,430.435,3.162,6,0.415,0.65,1.0,0.13716503323966828,0.11300630525666507,0.3132324720718251,0.31456891234322526,0.21949318072784593
EOS-3-14917,Cc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)n2)n(C)n1,GBDDNJNMPVUVKO-UHFFFAOYSA-N,3,1,0.277,99,286,436.443,1.933,6,0.407,0.67,0.982,0.0014649441436501954,0.007941539305051058,0.017562195874169007,0.02129737509423617,0.012066513604276609
EOS-3-14918,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)n4)n23)cc1,VGDSZAOPMXAQID-UHFFFAOYSA-N,3,1,0.329,38,193,449.453,3.85,6,0.377,0.74,1.0,0.17257213350695635,0.21164587759577821,0.47758035775478036,0.4787111918305805,0.33512739017202386
EOS-3-14919,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnccc4-c4ccccc4)n23)nc1,BFNSYHDGIUARAC-UHFFFAOYSA-N,3,1,0.303,30,945,431.463,3.711,6,0.419,0.69,0.995,0.16722637242135563,0.0552994996915907,0.3058906175039408,0.3657048865739154,0.22353034404770064
EOS-3-14920,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ncn2)o1,FCHPKDFTPRXFCH-UHFFFAOYSA-N,3,1,0.438,31,194,434.847,3.215,5,0.397,0.72,0.976,0.5320060311150709,0.4764752244534302,0.20863032006031115,0.21609211157562883,0.35830092180111034
EOS-3-14921,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)ccn1,QLFNVKOLFCRVNO-UHFFFAOYSA-N,3,1,0.274,86,421,434.427,1.896,6,0.404,0.65,1.0,0.03467034473305462,0.012036529367418272,0.056661640737440885,0.07175656226440957,0.04378126927558084
EOS-3-14922,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cn5)n34)cn2)n1,GXANPNOFUQGYPN-UHFFFAOYSA-N,3,1,0.338,32,321,432.447,4.274,6,0.406,0.78,1.0,0.22556713042286342,0.1478051538619697,0.28794291001302175,0.3205828935645261,0.24547452196559524
EOS-3-14923,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(Cl)nc4)n23)cc1,HAQPMHPKHMCCKL-UHFFFAOYSA-N,3,1,0.333,62,582,467.92,4.461,6,0.383,0.83,1.0,0.23666986498526488,0.24743848947981634,0.3768847234596669,0.4909447604687821,0.3379844595983825
EOS-3-14924,Cn1nnc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)n1,ZKKQWNBECYVENV-UHFFFAOYSA-N,3,1,0.608,36,258,425.865,2.671,5,0.422,0.72,1.0,0.6200397505311493,0.6789887601946405,0.03969056267562196,0.09384209444177918,0.3581402919607978
EOS-3-14925,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)nc1,YBPITOZTPZXFIH-UHFFFAOYSA-N,3,1,0.278,30,543,432.451,3.106,6,0.418,0.66,1.0,0.05096463573435679,0.01204509629223494,0.15887362072510453,0.2043040230278939,0.10654684394489754
EOS-3-14926,COc1cc(Cl)nc(Oc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4)n23)n1,GLOIHSALFFCLKA-UHFFFAOYSA-N,3,1,0.442,15,519,434.847,3.436,5,0.387,0.73,1.0,0.49146734288259886,0.4718148173531629,0.38432938112535125,0.2779196079775204,0.4063827873346583
EOS-3-14927,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)cc1,RZYFKRYQUYABKA-UHFFFAOYSA-N,3,1,0.333,93,158,417.436,3.496,6,0.433,0.79,1.0,0.01610581865533548,0.05920601740799123,0.2582499485984511,0.3555445137413474,0.17227657460078127
EOS-3-14928,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccnc5F)n34)c2)cc1,NCQZXSSDJGAPDC-UHFFFAOYSA-N,3,1,0.529,11,560,430.418,4.148,5,0.377,0.81,0.999,0.8460694948941128,0.8049225549996574,0.7993711877184566,0.8119560002741416,0.815579809471592
EOS-3-14929,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nn1,OCDIEPBDMRLMED-UHFFFAOYSA-N,3,1,0.416,46,119,416.832,3.271,5,0.43,0.78,1.0,0.45272770886162705,0.5353985333424713,0.3989531217874032,0.4415478719758755,0.4571568089918443
EOS-3-14930,Clc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)n1,AEAQVURXLBBPSZ-UHFFFAOYSA-N,3,1,0.468,75,279,431.847,2.708,5,0.4,0.69,0.982,0.617366869988349,0.6397094099102186,0.18124186142142418,0.2305702145157974,0.4172220889589473
EOS-3-14931,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccnnc4-c4cccc(F)c4)n23)cc1,HHGDUTQBPYFIJL-UHFFFAOYSA-N,3,1,0.366,9,642,449.453,3.85,6,0.403,0.7,1.0,0.22857412103351382,0.3236155849496265,0.5017562195874169,0.5572613254746076,0.40280181276129123
EOS-3-14932,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)c(F)c1,POTQMURZRAQGEE-UHFFFAOYSA-N,3,1,0.291,30,498,449.453,3.85,6,0.403,0.7,1.0,0.14798505928311972,0.20682269892399424,0.3879274895483517,0.4697930230964293,0.30313206771297374
EOS-3-14933,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)c(F)c1,MWOAWQGYDRHUFQ-UHFFFAOYSA-N,3,1,0.489,37,79,434.41,2.882,5,0.405,0.68,1.0,0.5889589472962785,0.5494911246658899,0.477588924679597,0.48789493523404837,0.5259834829689535
EOS-3-14934,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cc1,GJNFIBXCFIMLDS-UHFFFAOYSA-N,3,1,0.315,30,515,428.459,4.372,6,0.411,0.78,0.998,0.08514666575286135,0.10673531629086423,0.435268316085258,0.4819323555616476,0.2772706634226578
EOS-3-14935,Fc1ccnc(-c2ncncc2-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,GFNCEJMWHHUPQG-UHFFFAOYSA-N,3,1,0.434,58,602,449.837,2.847,5,0.385,0.68,1.0,0.657802755123021,0.6692910013021726,0.2548146117469673,0.352511822356247,0.483605047632102
EOS-3-14936,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCCC5CCOCC5)n34)c2)c1,RASRGJQFZKBQJS-UHFFFAOYSA-N,3,1,0.467,78,548,420.448,3.583,5,0.471,0.73,1.0,0.4665804262901789,0.34288259886231237,0.08429854019601124,0.29262901788773904,0.2965976458090604
EOS-3-14937,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)nn1C,WNMDRNMKFSSISM-UHFFFAOYSA-N,3,1,0.471,51,196,433.863,2.918,5,0.416,0.69,1.0,0.4527362757864437,0.44563429511342606,0.08162565965321088,0.089927009800562,0.2674808100884106
EOS-3-14938,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ncc4Cl)n23)cc1,IWKXDNCJYNDUAD-UHFFFAOYSA-N,3,1,0.6,16,32,451.277,3.924,5,0.396,0.7,1.0,0.90029812898362,0.9286803509012405,0.6933212254129257,0.7828712905215544,0.8262927489548352
EOS-3-14939,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)nc4)n23)cc1,SQENCSDDSDIRKW-UHFFFAOYSA-N,3,1,0.514,96,121,417.379,3.912,5,0.428,0.82,1.0,0.5164056610239188,0.597405935165513,0.8620211089027483,0.8262456308683435,0.7005195839901308
EOS-3-14940,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)cn4)n23)cn1,CKEZXGUDOLGWDI-UHFFFAOYSA-N,3,1,0.424,7,85,457.429,2.116,5,0.381,0.69,1.0,0.5347817147556713,0.3952008087177027,0.22242306901514633,0.13770474950311837,0.32252758549790966
EOS-3-14941,c1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)nc1,AIIUMQLPIRELHQ-UHFFFAOYSA-N,3,1,0.329,32,818,428.459,4.372,6,0.411,0.76,1.0,0.13435508189980125,0.1516859708039202,0.47759749160441367,0.4971043794119663,0.31518573093002533
EOS-3-14942,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5nccnn5)nc4)n23)nc1,LLHXVIYQDLMEHW-UHFFFAOYSA-N,3,1,0.344,33,580,438.455,1.578,5,0.419,0.61,0.395,0.12045952984716606,0.013184497292851758,0.04117264066890549,0.02298505928311973,0.049450431773010756
EOS-3-14943,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)cn2)nn1,WYMCYCRPWOTXKF-UHFFFAOYSA-N,3,1,0.292,98,356,451.429,2.64,6,0.398,0.66,0.743,0.07448941128092659,0.16723493934617228,0.1911109588102255,0.2747755465698033,0.17690271400178192
EOS-3-14944,CCc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C)cn1,BVEOPUFCUSMHAV-UHFFFAOYSA-N,3,1,0.477,95,493,426.484,3.166,5,0.394,0.76,1.0,0.20082585155232677,0.07408676581454321,0.18125042834624083,0.12474299225549997,0.1452265094921527
EOS-3-14945,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)[nH]1,SRTSJFKCBFZLPE-UHFFFAOYSA-N,3,1,0.253,99,957,422.416,1.829,6,0.45,0.68,0.991,0.025006853539853335,0.037086217531354944,0.049259817695839904,0.07176512918922623,0.045779504489068604
EOS-3-14946,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)nn5)ncn4)n23)cc1,VKSSISLPBPZLOD-UHFFFAOYSA-N,3,1,0.444,89,463,464.449,1.849,5,0.393,0.68,1.0,0.5917945994105955,0.3575748749228977,0.2335258035775478,0.13102254814611747,0.32847945651428967
EOS-3-14947,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nc2)n1,PQCKOOVZIIBMAI-UHFFFAOYSA-N,3,1,0.262,86,421,434.427,1.896,6,0.404,0.66,0.999,0.054245767939140564,0.03422486464258789,0.060585292303474744,0.06477451853882531,0.05345761085600713
EOS-3-14948,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c2)cc1=O,NFJIYJPSUJPGMU-UHFFFAOYSA-N,3,1,0.489,15,795,460.885,2.617,5,0.38,0.72,1.0,0.5138698512781852,0.41900829278322255,0.2051607155095607,0.23057878144061408,0.34215441025289567
EOS-3-14949,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2C)cn1,GKFWCBLMZFXRQE-UHFFFAOYSA-N,3,1,0.427,95,569,435.879,2.595,5,0.378,0.73,1.0,0.28211740113768763,0.19282434377355903,0.1496727434720033,0.1603985333424714,0.19625325543143035
EOS-3-14950,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc(C)cc5Cl)n4)n23)c(C)c1,DPNAEQHNDYUBAJ-UHFFFAOYSA-N,3,1,0.337,74,423,470.924,3.94,5,0.423,0.73,0.967,0.17527928174902338,0.20683126584881092,0.28048968542252073,0.23938558015214859,0.22549645329312593
EOS-3-14951,Cc1csc(COc2cncc3nnc(-c4cc(-c5cncn5C)ccc4Cl)n23)n1,ZFPBIRXYHHCLCK-UHFFFAOYSA-N,3,1,0.483,4,677,437.916,4.189,5,0.41,0.79,1.0,0.42953704338290727,0.5589061750394079,0.3615413611130149,0.3657134534987321,0.4289245082585155
EOS-3-14952,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5Cl)ns4)n23)cc1,JQOAYZAYKDZTBC-UHFFFAOYSA-N,3,1,0.366,62,302,473.949,4.522,6,0.403,0.87,1.0,0.1537420327599205,0.2571448152971009,0.137559111781235,0.3053252004660407,0.21344279007607428
EOS-3-14953,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ncn2)nc1,WRSQJZKYHUKVAE-UHFFFAOYSA-N,3,1,0.473,27,343,450.384,3.694,5,0.386,0.7,1.0,0.8342985401960112,0.8488109108354465,0.7683589198821191,0.7191419368103625,0.7926525769309849
EOS-3-14954,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(F)c(Cl)cc4F)n23)c(F)c1,XOXSVDCHZMWTNL-UHFFFAOYSA-N,3,1,0.337,45,252,442.792,3.72,5,0.396,0.69,0.999,0.35733500102803095,0.577856212733877,0.8543451442670139,0.9137225001713385,0.675814714550065
EOS-3-14955,Cc1nnc(COc2cncc3nnc(-c4cc(-c5ccc(CO)cc5)ccn4)n23)cc1F,JHLBQXXCGIJQHM-UHFFFAOYSA-N,3,1,0.421,4,160,443.442,3.162,5,0.426,0.71,1.0,0.5189671715441025,0.4410852580357755,0.5596600644232747,0.5004112123912,0.5050309265985882
EOS-3-14956,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)nc1,MTFBZTJOOMMEAW-UHFFFAOYSA-N,3,1,0.287,76,687,436.464,3.224,6,0.41,0.69,0.999,0.05097320265917346,0.08112877801384415,0.06452607771914194,0.10202350764169693,0.07466289150846411
EOS-3-14957,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cc(F)ncn5)cc4)n23)c1,JNQRAZWUAQXAHK-UHFFFAOYSA-N,3,1,0.535,35,429,431.406,3.543,5,0.38,0.73,1.0,0.9663234185456788,0.9195565759714893,0.7449369474333494,0.7191505037351792,0.8374918614214243
EOS-3-14958,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)c(F)c1,ZTVDELHNJIKXFX-UHFFFAOYSA-N,3,1,0.309,38,167,453.416,3.979,6,0.43,0.68,1.0,0.3387276403262285,0.42341169213898977,0.6549756699335206,0.6915221712014256,0.5271592934000411
EOS-3-14959,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccc5F)cn4)n23)cc1,IUADLSIWUZKZCO-UHFFFAOYSA-N,3,1,0.366,62,302,468.467,4.691,6,0.405,0.84,1.0,0.25028270851895,0.29860016448495647,0.6988211911452266,0.7757950106229867,0.5058747686930299
EOS-3-14960,Cn1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)n1,LPICGHUCEGJCGT-UHFFFAOYSA-N,3,1,0.494,36,391,438.814,2.143,5,0.406,0.66,1.0,0.5975173051881296,0.7671081488588856,0.14351312452881915,0.22757179082996368,0.43392759235144956
EOS-3-14961,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncc4F)n23)cn1,XBYKUELZKXETMB-UHFFFAOYSA-N,3,1,0.443,51,775,433.382,2.599,5,0.412,0.65,1.0,0.7783222534439038,0.6594647385374546,0.3689603180042492,0.33008361318621066,0.5342077307929546
EOS-3-14962,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(Cl)c5)c4)n23)cc1,QRROTQZUXMJRQC-UHFFFAOYSA-N,3,1,0.369,62,3,440.894,4.533,5,0.415,0.74,1.0,0.2579244054554177,0.247447056404633,0.7661486532794188,0.7378692344595984,0.502347337399767
EOS-3-14963,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)c(-c2cnnn2C)n1,JKQMPGBTBJOWAY-UHFFFAOYSA-N,3,1,0.278,99,968,450.47,2.148,6,0.396,0.64,0.991,0.05098176958399013,0.04417106435473922,0.035544171064354736,0.029238914399287233,0.039983979850592835
EOS-3-14964,Cc1cc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4F)n23)ccc1Cl,KSAFQENMODSQQS-UHFFFAOYSA-N,3,1,0.543,43,258,450.865,3.662,5,0.403,0.73,1.0,0.6732746213419231,0.7840192584469878,0.6311938866424508,0.6593790692892879,0.6869667089301624
EOS-3-14965,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)nc2)ccn1,NSFYJBFKHFACJI-UHFFFAOYSA-N,3,1,0.283,32,557,447.437,3.906,6,0.375,0.75,1.0,0.2686587622507025,0.342891165787129,0.4426273045027757,0.4668717017339456,0.38026223356863825
EOS-3-14966,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cn1,AOHCYWFHWNSCMD-UHFFFAOYSA-N,3,1,0.338,86,977,450.441,3.245,6,0.402,0.67,1.0,0.2738503186896032,0.26254197793160167,0.33893324652182855,0.32059146048934273,0.2989792509080941
EOS-3-14967,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)nc1,QLTHLZKIVXDELB-UHFFFAOYSA-N,3,1,0.309,39,449,450.441,3.245,6,0.402,0.67,0.994,0.12046809677198272,0.21658899321499556,0.29147248303748885,0.3657220204235488,0.24856289836200396
EOS-3-14968,Cc1cnc(-c2cccc(-c3nnc4cncc(COc5ccc(C#N)cc5)n34)c2)nc1,IJPLYPBGEYWOKA-UHFFFAOYSA-N,3,1,0.437,14,18,419.448,4.007,5,0.424,0.82,1.0,0.4616715783702282,0.39520937564251934,0.6634397916523884,0.6006870673702968,0.5302519532588582
EOS-3-14969,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)nn4)n23)c1,ISVFGWRMFBPQGB-UHFFFAOYSA-N,3,1,0.314,39,176,452.869,3.749,6,0.429,0.69,0.826,0.18678466177780823,0.2728651223356864,0.2619251593448016,0.4130457131108217,0.2836551641422795
EOS-3-14970,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)cc2)nn1,AZRYGHHRVTYHIB-UHFFFAOYSA-N,3,1,0.283,9,339,443.474,4.076,6,0.401,0.71,1.0,0.0997190048660133,0.08113734493866082,0.34252278802001235,0.36250085669248167,0.22146999862929204
EOS-3-14971,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nn4)n23)cc1,ARGVSAAZXOTVEZ-UHFFFAOYSA-N,3,1,0.343,98,42,434.467,3.049,6,0.42,0.65,1.0,0.12327804811184977,0.05530806661640737,0.15888218764992118,0.14959564114865329,0.1217659858817079
EOS-3-14972,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3ncc(Cl)cn3)n12,RPXPZIZMRKWIAC-UHFFFAOYSA-N,3,1,0.373,50,261,419.836,2.706,5,0.437,0.73,1.0,0.2931430333767391,0.3035946816530738,0.17509080940305669,0.18462579672400795,0.23911358028921936
EOS-3-14973,N#Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)ccc1F,AMBDEEOZGNLLPD-UHFFFAOYSA-N,3,1,0.561,97,293,441.401,3.977,5,0.407,0.72,1.0,0.9715149749845795,0.9376756219587417,0.9151103419916387,0.8919453772873689,0.9290615790555823
EOS-3-14974,Cn1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)c2)n1,KAGBBRZCLGIYJI-UHFFFAOYSA-N,3,1,0.268,42,725,420.44,3.039,6,0.466,0.75,0.995,0.07870433829072716,0.08456411486532794,0.27276231923788635,0.25988623123843463,0.17397925090809402
EOS-3-14975,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c(Cl)cn1,UFRGZPIPBQAYJN-UHFFFAOYSA-N,3,1,0.455,55,879,433.834,4.015,5,0.386,0.79,1.0,0.8597508738263313,0.8781868960318004,0.7905129874580221,0.7922263724213556,0.8301692824343774
EOS-3-14976,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C#N)cc5)cn4)n23)cc1,MZLQVRFRBHHMBN-UHFFFAOYSA-N,3,1,0.413,9,787,455.485,4.187,6,0.392,0.76,1.0,0.13717360016448496,0.1516945377287369,0.6436159276266191,0.642382290453019,0.393716588993215
EOS-3-14977,Fc1cc(-c2ccncn2)ccc1-c1nnc2cncc(Cc3cnc(Cl)c(F)c3)n12,VNGDPGRSGMIVOG-UHFFFAOYSA-N,3,1,0.321,14,81,435.825,4.166,5,0.394,0.75,1.0,0.45274484271126036,0.5307638270166541,0.8869851278185182,0.904864299910904,0.6938395243643342
EOS-3-14978,N#Cc1ccc(-c2nnc3cncc(-c4nccnc4-c4ccc(F)cc4F)n23)c(F)c1,WRNGJKRAFHVYFP-UHFFFAOYSA-N,3,1,0.416,45,961,429.365,4.204,5,0.427,0.74,1.0,0.43616784319100815,0.7083990130902611,0.9361678431910082,0.9553748886299774,0.7590273970255638
EOS-3-14979,Fc1cc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)ccc1Cl,UKQQYPRYIBZOAC-UHFFFAOYSA-N,3,1,0.27,39,176,471.847,3.283,6,0.41,0.7,0.527,0.24207559454458227,0.30858063189637447,0.30230107600575695,0.45737954903707767,0.32758421287094786
EOS-3-14980,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccccc4)n23)cc1,KNPJNUMJIRVXFN-UHFFFAOYSA-N,3,1,0.394,38,365,430.475,4.316,6,0.414,0.75,1.0,0.19261873757795903,0.06311253512439174,0.3729439380439997,0.4032365841957371,0.2579779487355219
EOS-3-14981,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c1-c1ccccc1,AIWNWPZZERJVKO-UHFFFAOYSA-N,3,1,0.323,30,179,430.475,4.316,6,0.414,0.75,0.999,0.032143101912137616,0.02588067987115345,0.3914741964224522,0.4353625522582414,0.22121513261599615
EOS-3-14982,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cc2)n1,ASIXVFXWJPPZGG-UHFFFAOYSA-N,3,1,0.301,32,339,430.475,4.316,6,0.414,0.75,1.0,0.06868103625522583,0.06312110204920841,0.5090295387567678,0.485067850044548,0.28147488177643754
EOS-3-14983,Fc1cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)cnc1F,YVVXKUKYIRUHCU-UHFFFAOYSA-N,3,1,0.321,42,635,443.377,3.367,6,0.381,0.7,0.912,0.07449797820574326,0.2423069015146323,0.5566016722637243,0.5763227331916935,0.3624323212939483
EOS-3-14984,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)nc1,DZFPTQGEHGXURT-UHFFFAOYSA-N,3,1,0.309,76,114,420.4,1.885,6,0.448,0.69,0.46,0.04198649852648893,0.07409533273935988,0.029461654444520594,0.04495065451305599,0.04762353505585635
EOS-3-14985,c1cnnc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1,DPZHHGUANSVVIX-UHFFFAOYSA-N,3,1,0.307,42,106,419.408,3.36,6,0.423,0.76,1.0,0.19808443561099306,0.09067233225961209,0.2879514769378384,0.31148481940922484,0.22204826605441708
EOS-3-14986,Clc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cn1,XQGBIWBHLPPYSO-UHFFFAOYSA-N,3,1,0.309,42,195,451.881,4.149,6,0.371,0.77,1.0,0.009218011102734562,0.1712785278596395,0.5227537523130698,0.5796038653964772,0.3207135391679803
EOS-3-14987,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cn1,FUMIMEWGNPFBOI-UHFFFAOYSA-N,3,1,0.306,30,301,430.475,4.316,6,0.414,0.77,0.999,0.09493866081831266,0.025889246795970117,0.4202933315057227,0.4446662326091426,0.246446867932287
EOS-3-14988,Cc1ncccc1-c1cnc(-c2cncc3nnc(-c4cnc(C(C)(C)O)nc4)n23)cn1,YVXDWWVXEQLHAL-UHFFFAOYSA-N,3,1,0.281,50,845,425.456,2.636,5,0.462,0.66,1.0,0.20083441847714345,0.09068089918442876,0.1375676787060517,0.05281509149475704,0.12047452196559524
EOS-3-14989,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)nc2)n(C)n1,ZCZPFTDNGCYYTN-UHFFFAOYSA-N,3,1,0.305,86,812,447.466,2.809,6,0.401,0.67,1.0,0.0726817901446097,0.04417963127955589,0.056670207662257555,0.04901137687615653,0.05563575149064492
EOS-3-14990,Cn1nc(-c2nnc3cncc(OCCc4ccnnc4)n23)cc1-c1ccc(Cl)cc1,RFSPTJNXURLDBC-UHFFFAOYSA-N,3,1,0.529,95,835,432.875,3.257,5,0.406,0.7,1.0,0.5089695702830512,0.5445137413474059,0.3578061818929477,0.4288688232472072,0.46003957919265304
EOS-3-14991,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cc5ccccc5)nn4)n23)cc1F,FUGWCJHLQSZEGZ-UHFFFAOYSA-N,3,1,0.381,52,916,480.507,3.189,6,0.381,0.82,1.0,0.21443869508601193,0.2218490850524296,0.117443972311699,0.2132478925364951,0.1917449112466589
EOS-3-14992,FC(F)c1ncc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4Cl)n23)cn1,YQVKBBQTTQUTCO-UHFFFAOYSA-N,3,1,0.337,82,478,436.813,4.296,5,0.414,0.72,0.932,0.3619097388801316,0.49917757521759987,0.8260657254471935,0.8342385717222945,0.6303479028168049
EOS-3-14993,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)c(F)n2)n1,DFYBSGJUDFECEX-UHFFFAOYSA-N,3,1,0.321,42,174,440.398,4.006,6,0.374,0.78,1.0,0.4023027893907203,0.4050099376327873,0.35039579192653003,0.3589798505928312,0.3791720923857172
EOS-3-14994,Cc1cnc(-c2cncc3nnc(-c4ccc(C(C)(C)O)cc4)n23)c(-c2ccc(F)cc2)n1,POXPZIVGMGCZNJ-UHFFFAOYSA-N,3,1,0.367,62,124,440.482,4.59,5,0.44,0.73,1.0,0.3687461448838325,0.5537403193749572,0.8604105270372148,0.7712459735453362,0.6385357412103352
EOS-3-14995,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnc(C)n5C)c4)n23)cc1F,QHYAFRDUAKKVIB-UHFFFAOYSA-N,3,1,0.474,89,788,473.472,2.368,5,0.399,0.76,1.0,0.46426735658967855,0.2677506682201357,0.1781149338633404,0.11070180248098142,0.25520869028853405
EOS-3-14996,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)c(-c2nccn2C)c1,VYAPDSWIFNQVJT-UHFFFAOYSA-N,3,1,0.303,25,219,466.484,3.497,6,0.392,0.71,1.0,0.22557569734768007,0.2986087314097731,0.31324103899664174,0.33327907614282776,0.29267613597423064
EOS-3-14997,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)n1,LOQHGGPDINYRDX-UHFFFAOYSA-N,3,1,0.438,58,88,430.859,3.313,5,0.378,0.73,1.0,0.5216828867109862,0.5537488862997738,0.3171475567130423,0.3687718456582825,0.44033779384552113
EOS-3-14998,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)nc1,QBKHAIHXODANJB-UHFFFAOYSA-N,3,1,0.297,38,787,429.447,3.767,6,0.417,0.71,1.0,0.1898516208621753,0.13299294085395105,0.38793605647316837,0.3913713933246522,0.27553800287848673
EOS-3-14999,Fc1ncccc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc1,ZMYYXNXQWRYRPE-UHFFFAOYSA-N,3,1,0.402,51,969,434.822,3.41,5,0.387,0.73,1.0,0.7157580015077788,0.8279418819820438,0.5090381056815846,0.5602511822356246,0.6532472928517579
EOS-3-15000,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)nn1,QQWZIVCEFCVEHF-UHFFFAOYSA-N,3,1,0.319,38,983,432.451,3.106,6,0.418,0.68,1.0,0.0335052429579878,0.04061579055582208,0.30230964293057366,0.2926375848125557,0.1672670653142348
EOS-3-15001,OCc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nc2)n1,RTJAJXKMYGBRKS-UHFFFAOYSA-N,3,1,0.286,86,790,460.461,2.655,6,0.408,0.67,1.0,0.19809300253580975,0.12261839490096635,0.22243163593996298,0.20431258995271057,0.1868639058323624
EOS-3-15002,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnnc5c(Cl)ccn45)n23)cn1,XEXABXRFXGHTKK-UHFFFAOYSA-N,3,1,0.31,86,312,428.847,2.95,6,0.426,0.67,0.998,0.23938558015214859,0.3036032485778905,0.20516928243437735,0.3082807895277911,0.26410972517305187
EOS-3-15003,N#Cc1ccnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)c1,WKMZWPQTYQTCLF-UHFFFAOYSA-N,3,1,0.371,44,971,444.817,4.1,5,0.407,0.72,0.994,0.7067969981495442,0.717659858817079,0.8281303543280104,0.854550750462614,0.7767844904393119
EOS-3-15004,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(CO)o5)c4)n23)cc1,NYOSDMZTUSCALF-UHFFFAOYSA-N,3,1,0.495,89,637,457.45,2.272,5,0.376,0.79,1.0,0.48899150161058186,0.24231546843944898,0.24058494962648208,0.12678192036186692,0.274668460009595
EOS-3-15007,Cc1cnnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)O)cn5)n34)c2)n1,JBIVHVIOOMQKDB-UHFFFAOYSA-N,3,1,0.394,92,62,441.411,2.019,5,0.411,0.65,1.0,0.41104961962853814,0.03709478445617161,0.10615276540333082,0.050270714824206704,0.15114197107806182
EOS-3-15008,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)cn1,XPQNTEOMZHXGBL-UHFFFAOYSA-N,3,1,0.402,51,36,437.826,2.748,5,0.386,0.72,1.0,0.4595384140908779,0.47648379137824687,0.40942190391337124,0.40984168322938797,0.43882144815297097
EOS-3-15009,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncn5C)n4)n23)cc1,GOVKIJGLYBAKQW-UHFFFAOYSA-N,3,1,0.402,14,357,472.94,3.581,5,0.405,0.74,1.0,0.2035329997943938,0.2165975601398122,0.26545473236926875,0.21610067850044548,0.22542149270098005
EOS-3-15010,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)n5)cn4)n23)nc1,LOZBMTVGORXZOI-UHFFFAOYSA-N,3,1,0.387,46,128,434.822,3.41,5,0.387,0.68,1.0,0.6855595915290248,0.7036101021177438,0.44612260982797614,0.5142125282708518,0.5873762079363991
EOS-3-15011,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)s4)n23)c(F)c1,AUQKDPLKMAUITN-UHFFFAOYSA-N,3,1,0.287,52,523,459.51,3.952,6,0.43,0.69,1.0,0.12898362003975053,0.18418031663354123,0.1946919333835926,0.27792817490233707,0.19644601123980537
EOS-3-15012,Cc1ccnc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)n1,RPOFWXYQOPYBQP-UHFFFAOYSA-N,3,1,0.62,2,294,431.406,3.809,5,0.418,0.71,1.0,0.8415033239668289,0.7361558494962648,0.7612398053594681,0.7112089644301282,0.7625269858131726
EOS-3-15013,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)cc(F)c4F)n23)cn1,NOYQOWGYKUJXHM-UHFFFAOYSA-N,3,1,0.472,2,817,431.406,3.809,5,0.418,0.71,1.0,0.829483928449044,0.7796501267904873,0.8648224933177986,0.8074497978205744,0.8203515865944759
EOS-3-15015,Clc1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cc2)ccn1,KIWHCZCUAJOEPO-UHFFFAOYSA-N,3,1,0.342,3,158,451.881,4.149,6,0.371,0.79,0.999,0.03909944486327188,0.22185765197724625,0.3989616887122199,0.5472894249880063,0.30180205263518606
EOS-3-15016,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)nn2)cn1,SHZVFZSKQDNGSW-UHFFFAOYSA-N,3,1,0.271,86,874,438.39,1.82,6,0.375,0.69,1.0,0.0022188335275169623,0.08114591186347749,0.16517031046535535,0.19814440408470976,0.11166986498526489
EOS-3-15017,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ccn2)c(C)n1,WPJZTTFUWJSABE-UHFFFAOYSA-N,3,1,0.398,75,441,430.859,4.101,5,0.419,0.72,1.0,0.5947673223219793,0.5830906037968611,0.32790761428277704,0.29264615173737235,0.4496029230347474
EOS-3-15018,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnncc5C)cnn4)n23)cc1,XRGPUSPFGVEYLH-UHFFFAOYSA-N,3,1,0.457,89,571,453.466,2.285,5,0.411,0.66,1.0,0.4316016722637242,0.19743334932492632,0.24408025495168253,0.12475155918031663,0.24946670893016243
EOS-3-15019,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,UMDSZOHEUBXXFF-UHFFFAOYSA-N,3,1,0.286,98,725,446.478,3.414,6,0.405,0.68,1.0,0.06478308546364198,0.031037968610787472,0.16836577342197245,0.16548728668357207,0.10741852854499348
EOS-3-15020,Cc1c(-c2ccccc2)ncnc1-c1nnc2cncc(-c3nnc(-c4ccccn4)n3C)n12,NNYZKMUBFGMSHS-UHFFFAOYSA-N,3,1,0.34,8,474,446.478,3.414,6,0.405,0.68,0.392,0.03910801178808855,0.017545062024535672,0.029470221369337263,0.054177232540607224,0.03507513193064218
EOS-3-15021,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccncc5)nc4)n23)c(OC(F)F)c1,IWMCMYBHJHTNIC-UHFFFAOYSA-N,3,1,0.389,14,81,444.445,4.749,5,0.376,0.87,1.0,0.5371718867795217,0.5307723939414708,0.892870605167569,0.8421629771777123,0.7007444657665685
EOS-3-15022,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,XIDHYOIHMRGSLJ-UHFFFAOYSA-N,3,1,0.505,65,349,433.863,2.652,5,0.402,0.69,1.0,0.5772822287711603,0.5217514221095195,0.23353437050236447,0.2779367418271537,0.4026261908025495
EOS-3-15023,Clc1ccc(-c2nncnc2-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)cc1,WMIQVIUEZMSXFE-UHFFFAOYSA-N,3,1,0.341,30,498,463.892,4.421,6,0.378,0.82,0.999,0.2714258789664862,0.332782194503461,0.42770372147214036,0.6006956342951134,0.40815185730930026
EOS-3-15024,Cn1cncc1-c1cncc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1F,SHMNIRSQGVAJHN-UHFFFAOYSA-N,3,1,0.432,85,357,428.431,2.416,5,0.459,0.59,1.0,0.20630868343499417,0.23194948941128093,0.48124700157631417,0.37854670687410047,0.3245129703241724
EOS-3-15025,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)[nH]n2)cn1,URUDYNIVGYSUAM-UHFFFAOYSA-N,3,1,0.442,65,963,433.863,2.95,5,0.434,0.69,0.999,0.5296072921664039,0.485016448495648,0.2914810499623055,0.292654718662189,0.39968987732163663
EOS-3-15026,Cc1ncc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5cccc(F)c5)n34)cn2)nn1,CFBNXIZKTSTXAH-UHFFFAOYSA-N,3,1,0.326,10,151,450.441,3.339,6,0.402,0.68,1.0,0.00457473785210061,0.1404118977451854,0.28424199849222126,0.35252038928106366,0.19543725584264274
EOS-3-15027,Fc1ccc(Cc2cncc3nnc(-c4cc(F)c(-c5ccccn5)cn4)n23)cc1Cl,BMVFPNLFBXUWNF-UHFFFAOYSA-N,3,1,0.438,45,358,434.837,4.771,5,0.407,0.77,1.0,0.3980364608320197,0.49439723116989925,0.9113665958467548,0.9402285655541087,0.6860072133506956
EOS-3-15028,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cc1)N1CC(F)C1,LWZADRGZYAVOLH-UHFFFAOYSA-N,3,1,0.333,62,376,469.455,3.848,6,0.372,0.8,0.996,0.2875916660955383,0.24232403536426564,0.41662668768418887,0.5206291549585361,0.3667928860256322
EOS-3-15029,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,SRZMBSUVBAGFBU-UHFFFAOYSA-N,3,1,0.488,13,724,437.797,4.367,5,0.412,0.73,1.0,0.7839164553491879,0.8125471180864917,0.8648310602426154,0.8695086011925159,0.8327008087177027
EOS-3-15030,CCn1nc(C)nc1-c1cc(COc2cncc3nnc(-c4ccc(C)nc4)n23)cnn1,BLRINJIKFHMZSG-UHFFFAOYSA-N,3,1,0.495,92,986,428.46,2.451,5,0.401,0.75,1.0,0.19520594887259268,0.14042046467000205,0.01666266876841889,0.011077033787951477,0.09084152902474127
EOS-3-15031,Cc1nc(Cl)nc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)n1,ZOZXZAWWLFMKEB-UHFFFAOYSA-N,3,1,0.402,46,128,450.825,2.508,5,0.393,0.66,1.0,0.6033428140634638,0.5974145020903296,0.14057466931670207,0.1736172983345898,0.37873732095127133
EOS-3-15032,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)nn4)n23)cc1,JPCHTTPUGLDUCH-UHFFFAOYSA-N,3,1,0.356,62,139,451.425,2.703,5,0.318,0.81,1.0,0.17528784867384004,0.1758275649372901,0.49825234733739976,0.43212425467754095,0.32037300390651774
EOS-3-15033,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnn(C)n5)n4)n23)cc1,MAWWULUYPNXKMM-UHFFFAOYSA-N,3,1,0.337,74,423,412.417,1.403,5,0.469,0.8,1.0,0.12602803097800014,0.047820574326639706,0.03834555547940511,0.01908710849153588,0.05782031731889521
EOS-3-15034,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cnn1,OLFNMLZFOPBFDE-UHFFFAOYSA-N,3,1,0.541,36,659,437.826,2.748,5,0.413,0.65,1.0,0.7220375573983963,0.8350352957302447,0.39528647796586935,0.4635991364539785,0.6039896168871222
EOS-3-15035,Cc1nc(-c2cc(F)ccn2)cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)n1,VVQAZXYIYZQIFR-UHFFFAOYSA-N,3,1,0.511,44,531,445.433,3.851,5,0.392,0.72,1.0,0.7340655198409979,0.5445223082722226,0.5664022342539922,0.5919830717565623,0.6092432835309438
EOS-3-15036,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)c1,MXWPPAZIRHSUOE-UHFFFAOYSA-N,3,1,0.349,10,952,436.414,3.03,6,0.414,0.66,1.0,0.014435268316085258,0.17128709478445617,0.14635734356795285,0.26619148790350217,0.14956779864299913
EOS-3-15037,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nc2)no1,RXLIALUBKRQUSG-UHFFFAOYSA-N,3,1,0.325,94,515,451.425,3.808,6,0.394,0.74,1.0,0.3165478719758755,0.43246693167020767,0.31324960592145845,0.3625094236172983,0.35619345829620996
EOS-3-15038,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ccn4)n23)cc1,QFRCUGAGIZEWOL-UHFFFAOYSA-N,3,1,0.495,89,398,482.479,3.254,6,0.375,0.91,1.0,0.5296158590912207,0.2271948461380303,0.21546672606401207,0.2216520457816462,0.2984823692687273
EOS-3-15039,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)cc1F,MFFFHMZLNGMZQM-UHFFFAOYSA-N,3,1,0.324,10,871,453.416,3.774,6,0.401,0.68,0.524,0.036109588102254814,0.17129566170927285,0.5731872387087931,0.6367109862243849,0.35432586868617644
EOS-3-15040,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)nc2)n1,DCVHQDZSSKWNQY-UHFFFAOYSA-N,3,1,0.302,70,687,425.437,3.422,6,0.418,0.7,1.0,0.1289921869645672,0.13651394695360153,0.13757624563086834,0.15218285244328697,0.138816307998081
EOS-3-15041,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(C)nn5C)cn4)n23)nc1,CIEBQWKUKSCMGO-UHFFFAOYSA-N,3,1,0.381,33,53,456.47,1.624,5,0.404,0.67,1.0,0.27385888561441984,0.11588479199506545,0.04748646425878966,0.012387773284901652,0.11240447878829415
EOS-3-15042,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(Cl)s5)n4)n23)nc1,DDCYBBGKQSACPE-UHFFFAOYSA-N,3,1,0.286,33,432,475.925,3.312,6,0.41,0.75,0.344,0.12900075388938387,0.17583613186210678,0.03969912960043863,0.11071036940579809,0.11381159618943185
EOS-3-15043,CCNC(=O)c1ccc(-c2nnc3cncc(COc4cccc(F)c4)n23)cc1F,VYGQVZJVFXSDEV-UHFFFAOYSA-N,3,1,0.469,48,646,409.396,3.398,4,0.528,0.86,1.0,0.6548214652868206,0.6594733054622712,0.6960797752038929,0.6335497909670345,0.6609810842300048
EOS-3-15044,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)ccc4Cl)n23)cc1,XZLVHXAFWIUIQW-UHFFFAOYSA-N,3,1,0.557,1,230,462.922,4.246,5,0.404,0.79,1.0,0.7752638612843533,0.5632838736207251,0.6772068398327736,0.6219501747652663,0.6594261873757795
EOS-3-15045,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)nn2C)ccc1F,DRSUBVWQCBRIBS-UHFFFAOYSA-N,3,1,0.412,95,482,448.437,3.19,5,0.394,0.7,1.0,0.3980450277568364,0.3620125419779316,0.4166352546090056,0.41305428003563843,0.397436776094853
EOS-3-15046,Cc1ncc(COc2cncc3nnc(-c4cnc(-c5cncc(F)c5)c(F)c4)n23)cn1,RRKIVGXZWNUDEV-UHFFFAOYSA-N,3,1,0.438,2,422,432.394,3.204,5,0.417,0.68,1.0,0.8621153450757316,0.7130851209649784,0.5731958056336097,0.5270629154958536,0.6688647967925434
EOS-3-15047,Fc1cncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)[nH]2)c1,LAFBSVGPUNEMQG-UHFFFAOYSA-N,3,1,0.355,93,774,434.438,4.445,6,0.44,0.78,0.995,0.2660715509560688,0.3327907614282777,0.6373792063600849,0.7352648893153314,0.49287660201494077
EOS-3-15048,Cn1cc(-c2ccc(F)c(-c3nnc4cncc(-c5ncc(-c6nncn6C)cc5F)n34)c2)cn1,CBWFHYDVXVVGEG-UHFFFAOYSA-N,3,1,0.299,98,314,470.447,3.328,6,0.389,0.74,1.0,0.16989925296415598,0.34289973271194574,0.5052772256870673,0.5173651566033857,0.38386034199163865
EOS-3-15049,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cnco6)c5)n34)cn2)cn1,BQPUVSSHQVAVFC-UHFFFAOYSA-N,3,1,0.333,42,723,436.41,4.104,6,0.38,0.76,1.0,0.3340243986018779,0.34774004523336305,0.6467000205606196,0.6247772599547666,0.4883104310876568
EOS-3-15050,FC(F)(F)c1ncc(-c2ccnc(COc3cncc4nnc(-c5ccccc5)n34)c2)cn1,APFGFZDHYGCWAL-UHFFFAOYSA-N,3,1,0.585,27,700,449.396,4.241,5,0.396,0.73,1.0,0.7068055650743609,0.7454852306216161,0.8770046604071002,0.7430779247481324,0.7680933452128024
EOS-3-15051,Cc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)cnn4)n23)nn1,IVOBRYVGPCKOCX-UHFFFAOYSA-N,3,1,0.472,53,587,431.847,2.974,5,0.413,0.67,0.967,0.45506647933657735,0.5170995819340689,0.1947005003084093,0.23058734836543074,0.34936347748612157
EOS-3-15052,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)cn4)n23)cc1,AJFRRVCSWMZSDK-UHFFFAOYSA-N,3,1,0.342,38,642,449.453,3.85,6,0.377,0.75,1.0,0.18986018778699199,0.27287368926050304,0.5532091700363237,0.5538088547734905,0.3924379754643273
EOS-3-15053,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c(F)c1,NZVVYJFPJAAZLS-UHFFFAOYSA-N,3,1,0.57,37,626,434.41,2.882,5,0.379,0.72,1.0,0.8008532657117401,0.6838633404153245,0.5328455897471044,0.5040007538893838,0.6303907374408882
EOS-3-15054,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5nnn(C)n5)c4)n23)cn1,YLBAJXDNJNPXAY-UHFFFAOYSA-N,3,1,0.512,36,258,417.408,2.403,5,0.429,0.8,1.0,0.46658899321499553,0.4808614899595641,0.27277088616270306,0.24226406689054897,0.36562135905695287
EOS-3-15055,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6)nc5)n34)cn2)ccn1,PGWLCPGMKBWIPN-UHFFFAOYSA-N,3,1,0.323,42,723,447.437,3.906,6,0.375,0.73,1.0,0.3061304913988075,0.3812367212665342,0.5596686313480913,0.5602597491604414,0.4518238982934686
EOS-3-15056,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)cn1,DLRBFBXRJAISIJ-UHFFFAOYSA-N,3,1,0.563,75,796,443.898,4.227,5,0.388,0.75,1.0,0.7695668562812693,0.8125556850113084,0.5429888287300391,0.5307809608662875,0.663973082722226
EOS-3-15057,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)nn1,IZVGMKIVOXMWKK-UHFFFAOYSA-N,3,1,0.302,3,783,435.426,3.635,6,0.417,0.67,1.0,0.02087759577821945,0.20221369337262696,0.5162343225275855,0.5919916386813789,0.33282931258995274
EOS-3-15058,Cc1nc(-c2ccccc2)cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)n1,SYHDPFQCDGDVJK-UHFFFAOYSA-N,3,1,0.453,44,531,427.443,3.712,5,0.408,0.73,0.978,0.6885665821396751,0.592762661914879,0.342531354944829,0.36573058734836544,0.49739779658693717
EOS-3-15059,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cn5)n34)nc2)nn1,RAJPJDUREOMQCD-UHFFFAOYSA-N,3,1,0.276,99,813,436.443,1.839,6,0.406,0.65,0.999,0.019789596326502637,0.013193064217668426,0.07738503186896031,0.06812418614214241,0.04462296963881845
EOS-3-15060,N#Cc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)nc1,LDEYBZHOLXBDGP-UHFFFAOYSA-N,3,1,0.424,92,205,450.422,1.588,5,0.4,0.67,1.0,0.4002038928106367,0.2830768967171544,0.21225412925776163,0.15766568432595435,0.2633001507778768
EOS-3-15061,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)c(F)c1,QCPWXDBOUAOQOE-UHFFFAOYSA-N,3,1,0.31,25,581,469.419,2.779,6,0.383,0.71,0.997,0.1867932287026249,0.29861729833458983,0.2842505654170379,0.43537111918305804,0.30125805290932767
EOS-3-15062,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)c(F)c5)n34)nc2)n1,JPSYOBJSCFVORO-UHFFFAOYSA-N,3,1,0.295,94,507,469.419,2.779,6,0.383,0.71,0.999,0.2579329723802344,0.3085891988211911,0.34253992186964566,0.4130628469604551,0.33053123500788156
EOS-3-15063,CCc1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cc4F)n23)nc1,WBTAQBSGNSPIFW-UHFFFAOYSA-N,3,1,0.432,68,457,418.354,3.881,4,0.458,0.76,1.0,0.8369457199643616,0.7796586937153039,0.9598810910835447,0.8739805359468166,0.8626165101775067
EOS-3-15064,COc1csc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(OC)c4)n23)n1,OHEIBNJMJTTYHI-UHFFFAOYSA-N,3,1,0.551,1,61,446.492,3.906,5,0.371,0.82,1.0,0.35734356795284766,0.3282245905009938,0.28425913234185457,0.14960420807346994,0.27985787471729145
EOS-3-15065,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)nc1,NGNNGIIRTHGQJV-UHFFFAOYSA-N,3,1,0.449,73,665,435.369,3.64,5,0.416,0.7,1.0,0.8460780618189295,0.7222088958947296,0.8187153039544925,0.8119645671989583,0.7997417072167775
EOS-3-15066,Cc1ncc(-c2cccc(-c3nnc4cncc(CNc5ccc(Cl)c(Cl)c5)n34)c2)nn1,QMRWMYVNVUPFCA-UHFFFAOYSA-N,3,1,0.33,14,471,463.332,4.871,5,0.397,0.84,1.0,0.16723493934617228,0.2116544445205949,0.6608868480570215,0.7138304434240285,0.4384016688369543
EOS-3-15067,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cn1,HXVWRJVYBMLINO-UHFFFAOYSA-N,3,1,0.308,10,37,454.885,3.488,6,0.401,0.71,1.0,0.029701528339387294,0.17584469878692344,0.3389418134466452,0.42887739017202386,0.24334135768624496
EOS-3-15068,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5Cl)n34)n2)ccc1F,SSPZHMBOWIFHCH-UHFFFAOYSA-N,3,1,0.385,96,140,459.872,4.115,5,0.432,0.66,1.0,0.247549859502433,0.3429082996367624,0.6227554656980331,0.6160561304913988,0.4573174388321568
EOS-3-15069,Cc1cnnc(-c2cnc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)nc2)n1,QOBWAJRFPJOGOW-UHFFFAOYSA-N,3,1,0.433,73,772,449.837,3.113,5,0.398,0.64,1.0,0.6944177917894593,0.6692995682269892,0.33176273045027754,0.4064834487012542,0.525490884791995
EOS-3-15070,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnn5)n4)n23)cc1Cl,AWXAGESVWCVZCO-UHFFFAOYSA-N,3,1,0.535,34,391,451.824,4.154,5,0.396,0.74,1.0,0.7894078541566719,0.9269326982386402,0.8116047563566582,0.8459666917963128,0.8434780001370709
EOS-3-15071,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)n5)n34)cc2)n1,ROBDDPTVFVPWCY-UHFFFAOYSA-N,3,1,0.308,30,39,431.463,3.804,6,0.418,0.7,1.0,0.0240045233363032,0.01916421081488589,0.2842676992666712,0.2956959769721061,0.15578310259749162
EOS-3-15072,Clc1ccc(CNCc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)s1,ZHMCNENFQRYONA-UHFFFAOYSA-N,3,1,0.33,14,700,432.94,4.858,5,0.415,0.83,1.0,0.172580700431773,0.10993934617229799,0.532854156671921,0.6423908573778356,0.36444126516345693
EOS-3-15073,CC(F)(F)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)cc4F)n23)cn1,USUVSEWHDBDXPY-UHFFFAOYSA-N,3,1,0.387,82,478,433.397,4.561,5,0.413,0.76,1.0,0.38036289493523406,0.5724847508738263,0.9450517442258927,0.8934017545062024,0.6978252861352888
EOS-3-15074,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)nc1,LHSUJUDCMAPTKK-UHFFFAOYSA-N,3,1,0.237,86,286,422.416,1.624,6,0.416,0.69,0.998,0.001473511068466863,0.008661160989651156,0.07943252690014392,0.077547803440477,0.041778750599684736
EOS-3-15075,COc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,DKNDHZPJVLRZNN-UHFFFAOYSA-N,3,1,0.5,35,710,443.442,3.413,5,0.377,0.72,1.0,0.8008618326365567,0.6497327119457199,0.46030943732437807,0.37201014323898296,0.5707285312864094
EOS-3-15076,NC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5cncc(F)c5)nn4)n23)nc1,HVJZEUMIFXZKLD-UHFFFAOYSA-N,3,1,0.442,33,760,432.379,0.979,5,0.414,0.63,1.0,0.16724350627098897,0.1365225138784182,0.10363408950723048,0.08624323212939483,0.12341083544650812
EOS-3-15078,Clc1ccc(-c2nnc3cncc(OCc4nnnc(-c5ccncc5)n4)n23)cc1Cl,UVADPUFDBSAENF-UHFFFAOYSA-N,3,1,0.524,73,391,452.265,3.319,5,0.396,0.7,1.0,0.6944263587142759,0.9007693098485368,0.3729525049688164,0.5307895277911041,0.6247344253306832
EOS-3-15079,Clc1ncnc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccc4Cl)n23)n1,COIVTTCCNRBSEK-UHFFFAOYSA-N,3,1,0.455,73,242,452.265,3.319,5,0.396,0.7,1.0,0.7311870331025975,0.8085634980467411,0.3094801590021246,0.4003066959084367,0.5623843465149749
EOS-3-15080,COCc1ncc(-c2cccc(-c3nnc4cncc(Cc5ccc(F)c(F)c5)n34)c2)cn1,NSAMDTREVXWGJI-UHFFFAOYSA-N,3,1,0.41,14,358,444.445,4.264,5,0.389,0.75,1.0,0.5115053800287849,0.5263518607360702,0.8368514837913782,0.8119731341237749,0.671670464670002
EOS-3-15081,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)cn4)n23)cc1,PDPAZACOGBVTNI-UHFFFAOYSA-N,3,1,0.556,4,32,416.832,3.271,5,0.43,0.77,1.0,0.769575423206086,0.9214670002056062,0.4094304708381879,0.47579843739291344,0.6440678329106985
EOS-3-15082,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cn1,VSUDORDRASBQOF-UHFFFAOYSA-N,3,1,0.425,42,171,446.449,4.511,6,0.393,0.76,1.0,0.2848074155301213,0.43705023644712493,0.7087759577821945,0.7482951819614831,0.5447321979302309
EOS-3-15084,OCc1cc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)c4)n23)ccc1Cl,KWPCDRLRRBOLNR-UHFFFAOYSA-N,3,1,0.561,97,230,444.882,3.973,5,0.423,0.73,1.0,0.9358508669727914,0.8964344458913028,0.7993797546432733,0.7758035775478035,0.8518671612637928
EOS-3-15085,Cc1nnc(-c2cc(C#N)cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)o1,HTVYJELWGADZPH-UHFFFAOYSA-N,3,1,0.389,72,706,430.815,3.862,5,0.417,0.71,1.0,0.6487903502158865,0.635237475155918,0.505285792611884,0.5004197793160168,0.5724333493249263
EOS-3-15086,CCn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cc1,NBVKBCIWWFKSHE-UHFFFAOYSA-N,3,1,0.273,98,725,448.494,3.532,6,0.397,0.71,1.0,0.12900932081420052,0.047829141251456375,0.15889075457473786,0.1471883352751696,0.1207293879788911
EOS-3-15087,Clc1nccc(OCc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)n1,PIKOBHWNWNJORG-UHFFFAOYSA-N,3,1,0.354,7,767,417.82,2.666,5,0.397,0.82,1.0,0.4766037283256802,0.5263604276608869,0.1812589952710575,0.17916009869097388,0.3408458124871496
EOS-3-15088,Fc1ccnc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)c1,LPLYZZRHTABBDH-UHFFFAOYSA-N,3,1,0.295,86,892,438.39,1.82,6,0.4,0.64,0.999,0.005405729559317387,0.09068946610924543,0.17157837022822287,0.23346583510383112,0.1252848502501542
EOS-3-15089,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)nc1,BPOPMBVXHOIEQA-UHFFFAOYSA-N,3,1,0.286,86,249,438.39,1.82,6,0.4,0.64,1.0,0.008481255568501132,0.1067438832156809,0.10095264203961346,0.14221095195668562,0.08959718319512028
EOS-3-15090,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)c(F)c1F,QRPFYYPUAMXBRR-UHFFFAOYSA-N,3,1,0.352,0,901,484.413,3.187,5,0.45,0.81,1.0,0.4043502844219039,0.46757418956891234,0.6017236652731136,0.6219587416900829,0.5239017202385032
EOS-3-15091,COc1ccc(-c2ccc(C(F)(F)F)nn2)cc1-c1cncc2nnc(-c3ccc(C)nc3)n12,CNIZNLAODRTNCR-UHFFFAOYSA-N,3,1,0.386,96,121,463.423,4.646,5,0.383,0.82,0.999,0.4503718045370434,0.4991861421424166,0.9361764101158249,0.8142862038242752,0.67500514015489
EOS-3-15092,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cccnc5)n4)n23)cc1,NUTSJBFRLYLCGD-UHFFFAOYSA-N,3,1,0.329,38,983,430.475,4.316,6,0.414,0.73,1.0,0.1479936262079364,0.05141011582482352,0.4740850524295799,0.4573881159618943,0.2827192276060585
EOS-3-15093,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)ccn4)n23)c1,DCRRIGYDHBFVPQ-UHFFFAOYSA-N,3,1,0.54,11,159,446.873,4.662,5,0.377,0.79,1.0,0.7400280995133987,0.74976869302995,0.7970238503186896,0.8362175313549448,0.7807595435542458
EOS-3-15094,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)cc2F)n1,FEFQNFCPKDGAEI-UHFFFAOYSA-N,3,1,0.523,36,795,452.841,2.186,5,0.381,0.7,1.0,0.6704818038516894,0.6789973271194572,0.1089798505928312,0.17083304776917277,0.40732300733328763
EOS-3-15095,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cn1,BQZMZNVNPGROEB-UHFFFAOYSA-N,3,1,0.289,10,37,438.43,2.974,6,0.417,0.65,0.975,0.019798163251319306,0.15170310465355355,0.2654632992940854,0.3175502021794257,0.188628692344596
EOS-3-15096,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)nc1,GOORDZLZPAAHKL-UHFFFAOYSA-N,3,1,0.305,10,37,438.43,2.974,6,0.417,0.65,0.998,0.0058769104242341165,0.12262696182578302,0.35040435885134674,0.39417277773970255,0.2182702522102666
EOS-3-15097,CCn1c(-c2cnc(C)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4nncn4C)nc3)n12,LYNUZDOEXZUUIT-UHFFFAOYSA-N,3,1,0.267,99,754,465.485,2.026,6,0.371,0.72,0.998,0.07269035706942636,0.03104653553560414,0.006836406003700912,0.0051658556644506885,0.028934788568295528
EOS-3-15098,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,WFZXBPYGUXQAFV-UHFFFAOYSA-N,3,1,0.381,8,474,455.873,3.087,6,0.429,0.66,0.997,0.10235761770954697,0.30361181550270716,0.10616133232814749,0.21610924542526214,0.18206000274141593
EOS-3-15099,Cn1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)cn5)c4)n23)n1,XTPDKTBTJLXKJG-UHFFFAOYSA-N,3,1,0.471,34,446,420.383,2.839,5,0.431,0.71,1.0,0.5633952436433418,0.5678928791720924,0.4776060585292303,0.5004283462408334,0.5273306318963745
EOS-3-15100,COc1cc(-c2nnc3cncc(OCc4ncc(C)cn4)n23)ccc1-c1ccccc1,JTZLVYSAKUNKLF-UHFFFAOYSA-N,3,1,0.488,1,955,424.464,4.144,5,0.405,0.79,1.0,0.5216914536358029,0.3189466109245425,0.47079535329997946,0.3720187101637996,0.42086303200603115
EOS-3-15101,Cc1cccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nn2)n1,PKHRURZNFUXBOS-UHFFFAOYSA-N,3,1,0.33,10,507,450.441,3.339,6,0.402,0.69,0.728,0.012936056473168391,0.1594647385374546,0.28796004386265506,0.3555530806661641,0.20397847988486054
EOS-3-15102,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)n1,XEQRPAIIQLDLPC-UHFFFAOYSA-N,3,1,0.296,98,890,436.443,1.839,6,0.406,0.63,1.0,0.08515523267767802,0.047837708176273044,0.04749503118360633,0.05027928174902337,0.057691813446645195
EOS-3-15103,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)nc2)n1,FMFSSAFDNLZCDX-UHFFFAOYSA-N,3,1,0.25,99,813,436.443,1.839,6,0.406,0.66,1.0,0.03611815502707148,0.04418819820437256,0.05492255499965732,0.04761496813103968,0.045710969090535264
EOS-3-15104,N#Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)cc1,QHRNQKBFIPMAGW-UHFFFAOYSA-N,3,1,0.524,7,408,425.387,2.628,5,0.417,0.68,1.0,0.8827187992598177,0.8860856007127681,0.5363323281474882,0.5040093208142006,0.7022865122335686
EOS-3-15105,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cnccn5)n4)n23)cc1,ISWNJUKVGCCXDL-UHFFFAOYSA-N,3,1,0.523,51,540,425.387,2.628,5,0.417,0.68,1.0,0.9224350627098896,0.8986447124940031,0.4203018984305394,0.4256990610650401,0.6667701836748681
EOS-3-15106,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)ccn2)n1,XTHUGQKIHSMGTD-UHFFFAOYSA-N,3,1,0.5,16,772,448.849,3.718,5,0.4,0.68,1.0,0.7811065040093208,0.7315382770200809,0.5629069289287917,0.610042149270098,0.6713984648070729
EOS-3-15107,Cc1cnc(-c2ccc(F)c(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)nc1,FALIUAHSJMQCLU-UHFFFAOYSA-N,3,1,0.466,73,82,448.849,3.718,5,0.4,0.72,1.0,0.7839250222740045,0.8453841409087793,0.5052943595367007,0.5104773490507847,0.6612702179425672
EOS-3-15108,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nncc(-c5ccccc5)n4)n23)cc1,PXGJFVICVKPPRX-UHFFFAOYSA-N,3,1,0.316,64,27,447.437,3.906,6,0.4,0.69,0.982,0.24208416146939896,0.3189551778493592,0.30589918442875746,0.457396682886711,0.33108380165855666
EOS-3-15109,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nc1,XNXNAMIRVRCYKX-UHFFFAOYSA-N,3,1,0.312,76,968,439.468,2.562,6,0.407,0.64,1.0,0.08761394010006168,0.10994791309711466,0.056678774587074224,0.0737440888218765,0.08199617915153176
EOS-3-15110,Clc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)c1,TUMFKHNFZZSLCM-UHFFFAOYSA-N,3,1,0.313,42,150,451.881,4.149,6,0.397,0.73,1.0,0.03467891165787129,0.15947330546227126,0.559677198272908,0.6070094578849976,0.340209718319512
EOS-3-15111,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)nc1,ZQXMQLBTFZGGDD-UHFFFAOYSA-N,3,1,0.489,2,491,432.394,2.938,5,0.403,0.68,1.0,0.7340740867658145,0.6838719073401411,0.4094390377630046,0.4257076279898568,0.5632731649647043
EOS-3-15112,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)cc2F)n1,GVSYCKGIFKZWNB-UHFFFAOYSA-N,3,1,0.467,16,606,446.421,3.512,5,0.404,0.7,1.0,0.8509612089644302,0.7542491947090673,0.5888390103488452,0.48507641696936465,0.6697814577479267
EOS-3-15113,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)c(F)c1,SLUZUEUDGIMIAF-UHFFFAOYSA-N,3,1,0.35,25,219,467.443,3.989,6,0.387,0.75,1.0,0.2551915564389007,0.3477486121581797,0.6312024535672675,0.6998749228976766,0.4835043862655061
EOS-3-15114,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)c(F)c4)n23)c(F)c1,ZWARCEPKYUZQTA-UHFFFAOYSA-N,3,1,0.347,25,219,467.443,3.989,6,0.387,0.75,1.0,0.23667843191008156,0.32362415187444316,0.6960883421287095,0.7558683434994174,0.5030648173531629
EOS-3-15115,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)nc1,NHBXGXRGQMULBL-UHFFFAOYSA-N,3,1,0.273,94,171,429.447,3.767,6,0.417,0.72,0.999,0.11232951819614831,0.12263552875059969,0.427712288396957,0.46688026865876225,0.2823894010006168
EOS-3-15116,Fc1cnc(-c2ncncc2-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)nc1,TWMBEDPIKRGNRO-UHFFFAOYSA-N,3,1,0.44,55,775,435.81,2.805,5,0.384,0.71,1.0,0.792192104722089,0.6987869234459598,0.3464207388115962,0.4161983414433555,0.5633995271057501
EOS-3-15117,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4cncnc4)n3)n12,WKECHTHXFFXESM-UHFFFAOYSA-N,3,1,0.511,73,817,434.822,3.41,5,0.414,0.69,1.0,0.7282057432663971,0.9177232540607224,0.6342437118771845,0.679931121924474,0.7400259577821945
EOS-3-15118,Fc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncn4)n23)ccc1Cl,IRTFISPPXGXWMU-UHFFFAOYSA-N,3,1,0.535,73,817,434.822,3.41,5,0.414,0.69,1.0,0.8621239120005483,0.9479473648139264,0.7165290247412789,0.7243420601740799,0.8127355904324584
EOS-3-15119,N#Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(F)cn5)nc4)n23)cc1,MPPBHDNRBCEKMW-UHFFFAOYSA-N,3,1,0.474,14,580,422.427,3.439,5,0.427,0.72,1.0,0.5164142279487355,0.5974230690151463,0.6227640326228497,0.6276471797683504,0.5910621273387705
EOS-3-15120,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,ZBMNUBGEICUMKM-UHFFFAOYSA-N,3,1,0.347,3,39,419.452,3.44,6,0.435,0.76,1.0,0.011282639983551505,0.013201631142485093,0.34642930573641284,0.3657391542731821,0.18416318278390786
EOS-3-15121,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cn1,TURUGITVNFIQEI-UHFFFAOYSA-N,3,1,0.398,51,48,433.863,3.092,5,0.402,0.69,1.0,0.5371804537043383,0.46340209718319514,0.1683743403467891,0.16806593105338907,0.33425570557192785
EOS-3-15122,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)c2)cc1=O,SFNLDRGCGKDSTO-UHFFFAOYSA-N,3,1,0.529,43,11,462.872,3.924,5,0.393,0.76,1.0,0.5859433897608115,0.572493317798643,0.8072356247001576,0.814294770749092,0.6949917757521761
EOS-3-15123,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4cccc(C#N)c4)n23)c1,WGROAWBJHQGYSX-UHFFFAOYSA-N,3,1,0.5,89,250,422.452,3.52,5,0.412,0.76,1.0,0.3848690973888013,0.28308546364197107,0.42031046535535604,0.40649201562607085,0.37368926050304985
EOS-3-15124,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)cn1,IGSRTZSZCXTXOP-UHFFFAOYSA-N,3,1,0.305,10,871,439.418,2.369,6,0.411,0.62,0.805,0.02401309026111987,0.19283291069837571,0.1285124391748338,0.18723014186827497,0.1331471455006511
EOS-3-15125,Cn1nc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1cccc(F)c1F,YVLXZNVYAOHHQM-UHFFFAOYSA-N,3,1,0.436,95,998,434.41,2.882,5,0.405,0.7,0.959,0.4110581865533548,0.2986258652594065,0.43911486532794186,0.45740524981152764,0.40155104173805767
EOS-3-15126,Cn1cnnc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)o1,ZUZJRWBRIYBXNO-UHFFFAOYSA-N,3,1,0.325,98,882,442.418,2.781,6,0.409,0.65,1.0,0.18680179562744156,0.2319580563360976,0.16203481598245495,0.1762045096292235,0.1892497943938044
EOS-3-15127,Cc1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5F)n34)nc2)o1,MIFPBEWSYVJWRP-UHFFFAOYSA-N,3,1,0.42,51,946,465.38,1.896,5,0.392,0.7,1.0,0.4938232472071825,0.3524689877321637,0.19111952573504215,0.14462682475498595,0.2955096463573436
EOS-3-15128,CCCOc1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(C)nn5)nc4)n23)nc1,INTSCQVYUOMIKS-UHFFFAOYSA-N,3,1,0.295,50,974,425.456,3.198,5,0.404,0.73,0.999,0.3165564389006922,0.15171167157837023,0.07739359879377698,0.05567644438352409,0.1503345384140909
EOS-3-15129,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)cn1,ZVDFMNBPYCSKBO-UHFFFAOYSA-N,3,1,0.446,92,463,466.465,1.904,6,0.377,0.73,1.0,0.3290727160578439,0.15948187238708794,0.028287985744637104,0.03111507093413748,0.1369894112809266
EOS-3-15130,Cc1cc(-c2ccncc2)c(-c2nnc3cncc(-c4ccc(-c5nnnn5C)c(F)c4)n23)cn1,NXFZACZOLPBWAV-UHFFFAOYSA-N,3,1,0.292,42,213,464.468,3.553,6,0.389,0.73,1.0,0.19262730450277568,0.3236327187992598,0.3843379480501679,0.42261496813103966,0.33080323487081076
EOS-3-15131,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)o1,NBOWUYSOKHANLJ-UHFFFAOYSA-N,3,1,0.333,64,176,437.398,3.499,6,0.408,0.7,0.611,0.18121616064697416,0.2728822561853197,0.15561818929477075,0.2570334452744843,0.21668751285038723
EOS-3-15132,Cc1cnc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)cc5C)n34)ccn2)nn1,LUNNOJWXWKIVHY-UHFFFAOYSA-N,3,1,0.449,13,374,430.859,4.101,5,0.419,0.75,1.0,0.6117469673086149,0.7454937975464327,0.3504129257761634,0.38469775889246793,0.5230878623809198
EOS-3-15133,Cn1nc(-c2cccc(F)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,JULHICPAMDEPPG-UHFFFAOYSA-N,3,1,0.438,22,316,423.814,4.185,5,0.435,0.76,1.0,0.17258926735658967,0.5494996915907066,0.6661126721951888,0.8222106092796929,0.5526030601055445
EOS-3-15134,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)[nH]5)n34)nc2)n1C,OGGVKXLXCKFBDC-UHFFFAOYSA-N,3,1,0.272,70,407,435.455,2.742,6,0.448,0.64,0.787,0.05601055445137414,0.03423343156740456,0.10616989925296416,0.09783428140634638,0.07356204166952231
EOS-3-15135,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)c(F)c1,QDJNDZUXVQIOJI-UHFFFAOYSA-N,3,1,0.314,25,219,468.431,3.384,6,0.362,0.77,1.0,0.23378281132204784,0.36692138989788226,0.5227623192378864,0.5763313001165101,0.4249494551435816
EOS-3-15136,N#Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cc(F)ccc5F)cn4)n23)cn1,KBHKUICOGPOLHP-UHFFFAOYSA-N,3,1,0.411,13,417,427.374,4.19,5,0.424,0.76,1.0,0.8415118908916456,0.8453927078335961,0.9160098690973888,0.9035449934891372,0.876614865327942
EOS-3-15137,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccnc5)n34)cc2Cl)nc1,PTWOOJRBHLKDMW-UHFFFAOYSA-N,3,1,0.543,73,82,433.834,4.015,5,0.413,0.71,1.0,0.9427900760742923,0.8915427318209855,0.7193475430059626,0.7404393119045988,0.8235299157014598
EOS-3-15138,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cc2)cn1,QGFWBABGZXNPPQ-UHFFFAOYSA-N,3,1,0.313,98,151,453.857,2.939,6,0.396,0.67,1.0,0.003409636077033788,0.1191744911246659,0.33895038037146186,0.40031526283325336,0.21546244260160374
EOS-3-15139,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(Cl)n5)n4)n23)cc1,UYTFGJWZLZXDDW-UHFFFAOYSA-N,3,1,0.317,8,890,456.861,2.278,6,0.366,0.71,1.0,0.0764855047632102,0.1713042286340895,0.045910150092522785,0.09995031183606333,0.09841254883147146
EOS-3-15140,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nc5C)ccc4F)n23)nc1,WMKMCBWNKMNJNO-UHFFFAOYSA-N,3,1,0.433,46,348,429.459,3.922,5,0.421,0.76,1.0,0.4478616955657597,0.34291686656157905,0.5984510999931465,0.4787197587553972,0.4669873552189706
EOS-3-15141,COc1ncc(-c2nnc3cncc(OCc4cccnc4F)n23)cc1-c1ccncc1,OEVWOMDPMRHCAY-UHFFFAOYSA-N,3,1,0.443,97,657,429.415,3.37,5,0.379,0.79,0.998,0.7922006716469057,0.6019292714687136,0.5919830717565623,0.46047220889589474,0.6116463059420191
EOS-3-15142,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)nc2)cn1,BRKWWJNMZIZAHB-UHFFFAOYSA-N,3,1,0.329,98,765,452.457,3.188,6,0.405,0.66,1.0,0.15652628332533752,0.29863443218422314,0.4277208553217737,0.40324515112055376,0.32153168048797204
EOS-3-15143,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4nccn4C)n23)c(F)c1,UPJXFWJFGMNPHE-UHFFFAOYSA-N,3,1,0.31,8,765,452.457,3.188,6,0.405,0.66,1.0,0.16463916112672194,0.21660612706462887,0.24059351655129874,0.2717428551847029,0.22339541498183813
EOS-3-15144,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)nc1,GHLDCDHETKACGC-UHFFFAOYSA-N,3,1,0.282,98,813,452.457,3.188,6,0.405,0.66,1.0,0.11534507573161538,0.197441916249743,0.37296107189363303,0.35556164759098075,0.26032742786649304
EOS-3-15145,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)nc1,IPIDANGVQQUONV-UHFFFAOYSA-N,3,1,0.462,33,457,409.837,2.216,4,0.52,0.81,1.0,0.5089781372078679,0.34775717908299636,0.22979062435748063,0.1929442807209924,0.3198675553423343
EOS-3-15147,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)nc1,GZELYEXLLFLBFK-UHFFFAOYSA-N,3,1,0.296,32,557,447.437,3.906,6,0.4,0.7,0.999,0.25794153930505104,0.2986429991090398,0.41284867384003837,0.4510057569734768,0.3551097423069015
EOS-3-15148,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)nc2)nc1,UQMNNHSJEWTBMQ-UHFFFAOYSA-N,3,1,0.306,32,687,447.437,3.906,6,0.4,0.7,0.963,0.2420927283942156,0.3189637447741759,0.5261548214652868,0.547297991912823,0.4086273216366253
EOS-3-15149,Cn1nccc1-c1ccc(Cl)c(-c2nnc3cncc(OCCc4ccncc4)n23)c1,VCJDXOQNDYYNFF-UHFFFAOYSA-N,3,1,0.605,35,393,431.887,3.862,5,0.406,0.73,1.0,0.5423291755191556,0.6936467685559592,0.616904256048249,0.6037368926050305,0.6141542731820986
EOS-3-15150,Cn1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)n1,FMTJPOCRINXZDG-UHFFFAOYSA-N,3,1,0.506,27,69,434.41,3.498,5,0.404,0.72,1.0,0.43372626961825783,0.467582756493729,0.6878383935302583,0.5372318552532382,0.5315948187238708
EOS-3-15151,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4cc(F)ncc4F)cn3)n12,QKIAMJDQNMKZFA-UHFFFAOYSA-N,3,1,0.34,96,139,443.417,3.601,5,0.425,0.67,1.0,0.222662942910013,0.25715338222191764,0.744945514358166,0.6770697690357069,0.4754579021314509
EOS-3-15152,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)nc5F)c4)n23)cn1,ZTBHKUTVYLHGSR-UHFFFAOYSA-N,3,1,0.494,97,430,431.406,3.809,5,0.418,0.72,1.0,0.8343071071208279,0.7712545404701528,0.6906312110204921,0.6219673086148996,0.729540041806593
EOS-3-15153,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)nc1,LTHQVTOBVSNRAD-UHFFFAOYSA-N,3,1,0.565,75,496,429.871,3.918,5,0.404,0.7,1.0,0.7068141319991775,0.7084075800150778,0.5465869371530395,0.5731786717839764,0.6337468302378179
EOS-3-15154,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(O)c6ccccc6)cc5)n34)nc2)n1,FYNZBSSQOMJDTP-UHFFFAOYSA-N,3,1,0.33,30,787,461.489,3.126,6,0.416,0.67,1.0,0.16990781988897266,0.11301487218148173,0.5295987252415872,0.5342419984922212,0.3366908539510657
EOS-3-15155,c1cncc(-c2ccc(-c3nnc4cncc(-c5cnc(OC6CCC6)cn5)n34)cn2)c1,IKUKMPBQPWXDMM-UHFFFAOYSA-N,3,1,0.33,82,974,422.452,3.637,6,0.423,0.76,1.0,0.4478702624905764,0.31897231169899254,0.09355938592282914,0.19815297100952642,0.2646387327804811
EOS-3-15156,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)nc2)nc1,DQIGFWFHTSLFCK-UHFFFAOYSA-N,3,1,0.418,46,775,436.357,3.035,5,0.387,0.7,1.0,0.8685833733123158,0.7754609005551367,0.6495699403742032,0.6305342334315674,0.7310371119183058
EOS-3-15157,Cc1ccc(-c2nnc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)n2C)nn1,ZTUYTYOYFPUAEA-UHFFFAOYSA-N,3,1,0.321,8,507,465.456,2.948,6,0.386,0.72,0.882,0.15106915221712014,0.2986515660338565,0.07944109382496059,0.14961277499828662,0.16969364676855597
EOS-3-15158,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)cc1Cl,MHCRJFZYMMXULF-UHFFFAOYSA-N,3,1,0.575,59,692,432.846,4.62,5,0.403,0.79,1.0,0.7922092385717223,0.7222174628195462,0.8633661160989651,0.8767133849633335,0.8136265506133917
EOS-3-15159,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)n1,VIENBBLRBNCDNZ-UHFFFAOYSA-N,3,1,0.321,30,668,430.475,4.409,6,0.412,0.74,1.0,0.01704818038516894,0.028287985744637104,0.5090466726064012,0.48194092248646425,0.25908094030566786
EOS-3-15160,Cc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)cc1,FCJNUDOCOPOHEH-UHFFFAOYSA-N,3,1,0.319,3,289,430.475,4.409,6,0.412,0.74,1.0,0.019806730176135975,0.05141868274964019,0.5125248440819683,0.5307980947159208,0.2786370879309163
EOS-3-15161,COCc1cnc(COc2cncc3nnc(-c4cc(-c5cccc(C)c5)ccn4)n23)cn1,WDSHASLETBZEHL-UHFFFAOYSA-N,3,1,0.424,7,160,439.479,3.677,5,0.379,0.71,1.0,0.35489342745528063,0.14781372078678637,0.3805170995819341,0.2988400383798232,0.29551607155095605
EOS-3-15162,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5)cnn4)n23)cn1,OGVAQQNMQYJTPC-UHFFFAOYSA-N,3,1,0.472,92,205,425.412,1.716,5,0.429,0.67,1.0,0.3825988623123843,0.18009389349599067,0.137584812555685,0.09784284833116305,0.19953010417380576
EOS-3-15163,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,MYIHXTIPAHDDRD-UHFFFAOYSA-N,3,1,0.473,37,482,437.826,2.78,5,0.43,0.67,1.0,0.7370039750531149,0.80064765951614,0.39529504489068606,0.4758070043177301,0.6021884209444177
EOS-3-15164,Cn1cc(-c2ccc(-c3nnc4cncc(OCC=Cc5cccnc5)n34)c(F)c2)cn1,UMXNHQIAGNGQKE-UHFFFAOYSA-N,3,1,0.5,35,545,427.443,3.818,5,0.41,0.74,1.0,0.6428192036186691,0.6548985676101706,0.6960969090535262,0.579612432321294,0.643356778150915
EOS-3-15165,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)cn2)n1,GMWUKWRNJNAFNY-UHFFFAOYSA-N,3,1,0.471,55,980,438.81,3.311,5,0.407,0.74,1.0,0.7157665684325955,0.6643050510588719,0.38434651497498457,0.4098502501542046,0.5435670961551642
EOS-3-15166,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccn1,FVBKWOUSEAVZLD-UHFFFAOYSA-N,3,1,0.628,36,32,418.848,3.214,5,0.432,0.75,1.0,0.8369542868891783,0.8384449318072784,0.3768932903844836,0.43807826742512507,0.6225926941265163
EOS-3-15168,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)cn5)cn4)n23)cc1,MNHTWPUPEWNJCA-UHFFFAOYSA-N,3,1,0.346,74,139,410.441,2.613,5,0.489,0.87,1.0,0.16725207319580562,0.05921458433280789,0.3059077513535741,0.18463436364882463,0.17925219313275303
EOS-3-15169,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)c1,QTAJOBDAUSKJEF-UHFFFAOYSA-N,3,1,0.607,11,503,430.418,4.148,5,0.403,0.75,1.0,0.7311956000274141,0.6497412788705367,0.8300921801110274,0.840338222191762,0.762841820300185
EOS-3-15170,Fc1ccc(F)c(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)c1,ROQOWISXBCEWEH-UHFFFAOYSA-N,3,1,0.61,11,595,430.418,4.148,5,0.403,0.75,1.0,0.82453224590501,0.804931121924474,0.8543537111918306,0.847611541361113,0.8328571550956069
EOS-3-15171,Cc1ncc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(C#N)c(F)c4)n23)n1,INDDPIIEMRDADX-UHFFFAOYSA-N,3,1,0.31,96,46,425.402,4.374,5,0.426,0.78,1.0,0.32908128298266054,0.4634106641080118,0.8770132273319169,0.8988760194640532,0.6420952984716606
EOS-3-15172,Clc1ccc(-c2nocc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1,XUKGBIIHOSWZPA-UHFFFAOYSA-N,3,1,0.329,76,750,442.83,3.342,6,0.435,0.65,0.947,0.26068295524638474,0.32823315742581044,0.22608114591186348,0.3751884723459667,0.2975464327325063
EOS-3-15173,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cn2)nn1,ZOQMLXKPZRHLQD-UHFFFAOYSA-N,3,1,0.272,99,312,422.416,1.624,6,0.416,0.7,1.0,0.014443835240901925,0.0159944486327188,0.06647076965252553,0.0757658830786101,0.04316873415118909
EOS-3-15174,Cn1c(-c2ccccc2)cc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1=O,QEVYCABPZPYPNR-UHFFFAOYSA-N,3,1,0.556,15,361,425.452,2.568,5,0.412,0.71,0.994,0.537189020629155,0.2625505448564183,0.30948872592694127,0.3082893564526078,0.35437941196628053
EOS-3-15175,Fc1cc(-c2cnc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)ccn1,MBFOMBPUCSRDIE-UHFFFAOYSA-N,3,1,0.282,10,37,436.414,3.03,6,0.388,0.71,0.994,0.0022274004523336302,0.047846275101089714,0.3094972928517579,0.3816307998081009,0.18530044205332052
EOS-3-15176,CNC(=O)c1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccn4)n23)cc1F,WGTFBIQXFGEOBM-UHFFFAOYSA-N,3,1,0.462,89,805,461.482,3.388,5,0.413,0.71,1.0,0.6061698992529642,0.4324754985950243,0.2727794530875197,0.2187821259680625,0.3825517442258927
EOS-3-15177,NC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)c(C2CC2)c1,WPLPHMCJTUZOLB-UHFFFAOYSA-N,3,1,0.352,61,681,440.442,3.154,6,0.449,0.69,0.087,0.056019121376190806,0.18010246042080735,0.26547186621890206,0.3525289562058803,0.21353060105544514
EOS-3-15178,CC1(NC(=O)c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)cc2)CC1,QRULOBSBLFRXDH-UHFFFAOYSA-N,3,1,0.307,62,582,447.502,4.198,6,0.434,0.74,1.0,0.13718216708930162,0.05142724967445686,0.16517887739017204,0.2509252278802001,0.15117838050853266
EOS-3-15179,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)c(F)c1,QODJILIUFXZSKN-UHFFFAOYSA-N,3,1,0.33,74,450,459.42,2.763,6,0.402,0.66,0.997,0.032151668836954285,0.20222226029744364,0.34643787266122955,0.42571619491467344,0.2516319991775752
EOS-3-15180,Cc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5cnc(F)cn5)c4)n23)cn1,DXNWKEPZHRPAPX-UHFFFAOYSA-N,3,1,0.506,59,109,447.861,4.323,5,0.396,0.78,1.0,0.8621324789253649,0.880671304228634,0.7905215543828388,0.7687615653485025,0.825521725721335
EOS-3-15181,COc1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1cccc(F)c1,TZWQDDXYKPIMCT-UHFFFAOYSA-N,3,1,0.451,97,992,446.417,4.114,5,0.363,0.8,1.0,0.8343156740456446,0.6352460420807347,0.7751267904872867,0.7112175313549448,0.7389765094921527
EOS-3-15182,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C)cs5)c(F)c4F)n23)cc1,IQAWYGPIUPMPIV-UHFFFAOYSA-N,3,1,0.394,62,3,462.485,4.528,5,0.424,0.74,1.0,0.2821259680625043,0.29866013295867316,0.6878469604550751,0.5827393598793777,0.46284310533890755
EOS-3-15183,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cn2)cn1,XFIFMMBIKYVTPU-UHFFFAOYSA-N,3,1,0.314,86,790,419.408,3.36,6,0.423,0.75,0.998,0.17529641559865672,0.10995648002193133,0.3464464395860462,0.32359845109999313,0.23882444657665686
EOS-3-15184,Cc1cc(Cc2cncc3nnc(-c4cc(-c5cnc(C)nc5)ccc4Cl)n23)ccn1,CSNQIXHPSCJVFW-UHFFFAOYSA-N,3,1,0.337,85,81,427.899,4.504,5,0.42,0.77,1.0,0.25795010622986775,0.3282417243506271,0.6580426290178878,0.6305428003563841,0.46869431498869163
EOS-3-15185,Cc1noc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)nn2)n1,LUJOBZQJSYBHRT-UHFFFAOYSA-N,3,1,0.265,86,852,436.399,1.854,6,0.395,0.66,1.0,0.14800219313275306,0.10338564868754711,0.012362072510451648,0.01063155369748475,0.06859536700705914
EOS-3-15186,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)cn2)nn1,WVMRYFOWHIWRPO-UHFFFAOYSA-N,3,1,0.286,86,443,446.438,2.261,6,0.393,0.64,1.0,0.11233808512096498,0.10675245014049757,0.07514049756699336,0.08112877801384415,0.09383995271057502
EOS-3-15187,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccncc5)n4)n23)cc1,GTTALMPTVSLZOQ-UHFFFAOYSA-N,3,1,0.54,1,744,423.411,3.838,5,0.423,0.75,1.0,0.8972654375985196,0.8832156808991845,0.8154084709752587,0.789947570420122,0.8464592899732711
EOS-3-15188,N#CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)c(F)c1,QCZVKCCKTQFWNT-UHFFFAOYSA-N,3,1,0.412,66,455,456.363,2.583,4,0.362,0.71,1.0,0.32386402576930984,0.5037351792200672,0.884594955794668,0.7508138578575835,0.6157520046604071
EOS-3-15189,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)cc1,CQWRXRDRUBQOHC-UHFFFAOYSA-N,3,1,0.273,10,952,419.412,2.286,6,0.423,0.73,0.976,0.003418203001850456,0.01321019806730176,0.06258138578575835,0.09587245562332945,0.04377056061956
EOS-3-15190,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cc(F)ccn5)c4)n23)cc1,MYJXMVGSCINKTN-UHFFFAOYSA-N,3,1,0.329,42,725,449.453,3.85,6,0.403,0.68,1.0,0.22558426427249675,0.22720341306284697,0.5497909670344733,0.5635408813652252,0.39152988143376055
EOS-3-15191,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cnn1,QHZKEQCYAOGCLI-UHFFFAOYSA-N,3,1,0.3,39,972,451.429,2.64,6,0.398,0.69,1.0,0.11234665204578165,0.1517202385031869,0.13759337948050168,0.22758035775478033,0.15731015694606265
EOS-3-15192,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnccc5Cl)n34)nc(C)n2)cn1,BPJZBSXJEYXDRY-UHFFFAOYSA-N,3,1,0.441,46,500,444.886,3.888,5,0.402,0.71,1.0,0.5396648619011719,0.5171081488588856,0.4203190322801727,0.39708553217736964,0.46854439380439994
EOS-3-15193,Cn1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cc2)n1,QKBSUFQFVZBVNV-UHFFFAOYSA-N,3,1,0.407,61,740,418.411,3.51,5,0.434,0.79,1.0,0.3803714618600507,0.3189808786238092,0.6933297923377424,0.6711585909122062,0.5159601809334522
EOS-3-15194,Cc1nc(-c2ncc(F)cn2)cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)n1,LUTSFWIQSJOQLJ-UHFFFAOYSA-N,3,1,0.433,46,775,433.382,2.599,5,0.386,0.68,0.985,0.7097268864368447,0.4718233842779796,0.2727880200123364,0.2662000548283188,0.4301345863888698
EOS-3-15195,COc1cc(-c2nnc3cncc(OCc4ccc(C#N)cn4)n23)ccc1-c1cccnc1,QWEGXBWQEDERKG-UHFFFAOYSA-N,3,1,0.552,97,83,435.447,3.708,5,0.397,0.75,1.0,0.4914759098074155,0.48966828867109863,0.737312384346515,0.6160646974162155,0.5836303200603111
EOS-3-15196,Cc1cnc(-c2nnc3cncc(-c4cnn(-c5cccc(C)n5)c4)n23)c(-c2cnccn2)c1,MRFOQLDVMKAQDC-UHFFFAOYSA-N,3,1,0.245,86,151,446.478,3.508,6,0.404,0.68,0.999,0.0025443766705503393,0.007950106229867727,0.1846172297991913,0.16807449797820576,0.09079655266945377
EOS-3-15197,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)cn2)c1,ZYYLAPOWFPGFMV-UHFFFAOYSA-N,3,1,0.297,10,705,442.446,3.368,6,0.407,0.66,1.0,0.02088616270303612,0.06684771434445891,0.5227708861627031,0.5538174216983072,0.2910805462271263
EOS-3-15198,Cn1nc(-c2cnc(-c3cncc4nnc(-c5ccc(F)cn5)n34)nn2)nc1C(F)F,ZTXUHPYRLVAWCE-UHFFFAOYSA-N,3,1,0.309,50,542,425.338,1.91,5,0.424,0.65,0.53,0.1318706737029676,0.21661469398944555,0.07071996436159277,0.11320334452744843,0.13310216914536357
EOS-3-15199,c1ccc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5cnccn5)n34)n2)nc1,FATPMNODZJIGIV-UHFFFAOYSA-N,3,1,0.276,76,368,430.435,3.162,6,0.415,0.67,0.955,0.08095743951751079,0.07755637036529367,0.17509937632787334,0.21006956342951133,0.1359206874100473
EOS-3-15200,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)nn2)nc1,DACRBBGTTUMWBH-UHFFFAOYSA-N,3,1,0.289,76,944,430.435,3.162,6,0.415,0.67,0.972,0.08299636762387773,0.08115447878829415,0.2015112055376602,0.23637858954149818,0.15051016037283255
EOS-3-15201,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4cnccn4)n23)n1,XCOHMCXBSUVJMQ-UHFFFAOYSA-N,3,1,0.261,86,601,435.415,1.291,6,0.394,0.66,0.826,0.049354053868823244,0.01454663833870194,0.015968747858268795,0.019729627852785963,0.024899766979644987
EOS-3-15202,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5conn5)cc4F)n23)cc1,JFRCAYGZXHFGPT-UHFFFAOYSA-N,3,1,0.342,9,340,439.414,3.443,6,0.411,0.68,1.0,0.2255928311973134,0.23695257350421492,0.4914330751833322,0.49711294633678293,0.36277285655541086
EOS-3-15203,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)o1,DGTYABPRDAQNEO-UHFFFAOYSA-N,3,1,0.565,43,146,420.379,4.007,5,0.424,0.82,1.0,0.8369628538139949,0.8384534987320952,0.7271434445891303,0.705254951682544,0.776953687204441
EOS-3-15204,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)cc1,OSGQLIIFHPMFTF-UHFFFAOYSA-N,3,1,0.319,38,42,437.492,3.772,6,0.414,0.7,1.0,0.05425433486395723,0.04785484202590638,0.2950191899115893,0.2897333972997053,0.17171544102528957
EOS-3-15205,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc5ccnc(-c6cnc(C)cn6)c45)n23)cc1,GGVHBHSEOGGRRA-UHFFFAOYSA-N,3,1,0.324,42,139,473.5,3.527,6,0.412,0.72,1.0,0.2337913782468645,0.10339421561236378,0.26193372626961825,0.19537728736892604,0.19862415187444313
EOS-3-15206,COc1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(F)nn5)cs4)n23)cc1,XNOMXPMYPMLAJL-UHFFFAOYSA-N,3,1,0.565,72,268,435.444,3.432,5,0.4,0.7,1.0,0.6428277705434857,0.6838804742649579,0.3132581728462751,0.25989479816325134,0.47496530395449255
EOS-3-15207,N#Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5ncc(F)cn5)n4)n23)nc1,ONDDGEWDKPPMPG-UHFFFAOYSA-N,3,1,0.409,51,775,426.375,2.023,5,0.41,0.67,1.0,0.6144284147762319,0.6019378383935302,0.20517784935919403,0.2216606127064629,0.41080117880885475
EOS-3-15208,OCc1cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)ccc1Cl,YZCDIBMDIAPXNJ-UHFFFAOYSA-N,3,1,0.57,90,281,417.256,3.002,4,0.515,0.69,1.0,0.8089747104379412,0.8641457062572819,0.5697176341580427,0.6652131450894387,0.7270127989856762
EOS-3-15209,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cc1,NCEIMUQSFLTZGJ-UHFFFAOYSA-N,3,1,0.293,9,179,449.453,3.85,6,0.403,0.69,1.0,0.17826913851004045,0.26775923514495237,0.48474230690151465,0.5104859159756014,0.36031414913302723
EOS-3-15210,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncnc4-c4cccnc4F)n23)cc1,BEPGNUOKHRYOOT-UHFFFAOYSA-N,3,1,0.457,89,731,456.441,2.721,5,0.387,0.68,1.0,0.7461791515317662,0.3858542937427181,0.402568364060037,0.27478411349461995,0.45234648070728534
EOS-3-15211,Fc1cccnc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,ZMDMQJDLGQVDMD-UHFFFAOYSA-N,3,1,0.435,46,157,433.834,4.015,5,0.386,0.77,1.0,0.577290795695977,0.630182989514084,0.7063086834349942,0.7456051675690494,0.6648469090535261
EOS-3-15212,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3cnnc(-c4ccncc4)c3)n12,PHMKKZPYPVPWAQ-UHFFFAOYSA-N,3,1,0.343,14,357,422.452,2.641,5,0.461,0.64,0.992,0.1343636488246179,0.04419676512918923,0.3059163182783908,0.22435919402371324,0.1772089815639778
EOS-3-15213,Clc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3ccc(-c4nnco4)cn3)n12,AIEUCBSKKHTUGM-UHFFFAOYSA-N,3,1,0.37,98,572,443.814,3.607,6,0.397,0.7,1.0,0.3009303680350901,0.38124528819135084,0.3689688849290659,0.4288859570968405,0.3700076245630869
EOS-3-15214,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(CO)n5)c4)n23)nc1,WQVZNNXGILFSTN-UHFFFAOYSA-N,3,1,0.257,70,664,450.466,2.327,6,0.424,0.65,0.905,0.012944623397985059,0.03710335138098828,0.22244020286477967,0.1820043177301076,0.11362312384346515
EOS-3-15215,Cc1nc(-c2ccncc2)c(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)n1C,HBTWZKQAIRWUFP-UHFFFAOYSA-N,3,1,0.271,70,957,445.49,4.019,6,0.404,0.74,0.94,0.049362620793639914,0.028296552669453773,0.24408882187649922,0.259903365088068,0.14541284010691524
EOS-3-15216,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cccc(F)n1,FFUXOQIUQVLSCE-UHFFFAOYSA-N,3,1,0.474,15,846,443.442,3.413,5,0.353,0.76,1.0,0.8552275375231307,0.7176684257418957,0.4882975807004318,0.3880131587965184,0.6123016756904942
EOS-3-15217,Clc1cnc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)nc1,ZGGZEMRXABUTCY-UHFFFAOYSA-N,3,1,0.429,18,88,431.847,2.708,5,0.4,0.65,1.0,0.5089867041326845,0.5124905763827017,0.14058323624151875,0.19003152628332534,0.3380230107600576
EOS-3-15218,CC(C)(O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)c(F)n4)n23)cc1,LMHPZHZACPXEKU-UHFFFAOYSA-N,3,1,0.37,50,333,429.419,2.467,5,0.458,0.62,1.0,0.3894181344664519,0.35758344184771435,0.5664108011788088,0.4353796861078747,0.43719801590021246
EOS-3-15219,Clc1cncc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ccccn4)nn3)n12,RMFROOBZPKRUNZ-UHFFFAOYSA-N,3,1,0.442,54,411,451.277,3.924,5,0.396,0.73,1.0,0.6487989171407031,0.6067781509149476,0.4982609142622164,0.6247858268795833,0.5946559522993625
EOS-3-15221,Cn1cc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)n2)cn1,UJOMBVCDLXXHKP-UHFFFAOYSA-N,3,1,0.301,64,365,431.463,3.711,6,0.419,0.68,1.0,0.047760605852923035,0.016003015557535468,0.21897916523884586,0.25991193201288465,0.13566367966554727
EOS-3-15222,COc1ccn(-c2ncncc2-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,BSHGIQRFCUFKOW-UHFFFAOYSA-N,3,1,0.317,30,945,447.462,3.505,6,0.395,0.72,1.0,0.145063737920636,0.12624220409841683,0.25124220409841685,0.24227263381536562,0.19120519498320881
EOS-3-15223,Oc1cccc(-c2cnc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)c1,UHOZNWLXKRVLME-UHFFFAOYSA-N,3,1,0.259,30,195,432.447,3.807,6,0.451,0.67,0.998,0.016114385580152147,0.028305119594270442,0.43912343225275857,0.47581557124254675,0.23983962716743196
EOS-3-15224,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c1F,QMAOFAOLGUWERE-UHFFFAOYSA-N,3,1,0.484,18,501,427.443,3.712,5,0.408,0.74,1.0,0.7752724282091701,0.7176769926667124,0.4847508738263313,0.4288945240216572,0.6016487046809678
EOS-3-15225,Cc1cc(-c2nnc3cncc(OCc4cnc(Br)c(F)c4)n23)ccc1Cl,WJGBIFYVOMLTGN-UHFFFAOYSA-N,3,1,0.584,90,555,448.683,4.629,4,0.426,0.76,1.0,0.9238828730039065,0.9468936330614762,0.9207302446713728,0.9192738674525393,0.9276951545473237
EOS-3-15226,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(C#N)c5)n34)cc2F)c1,UMYUVHXTEFCUJU-UHFFFAOYSA-N,3,1,0.536,43,230,425.427,3.782,5,0.425,0.75,1.0,0.9276180522239736,0.7712631073949695,0.8690374203275992,0.8281817558769105,0.8490250839558631
EOS-3-15227,Cc1nc(COc2cncc3nnc(-c4ccc(C)c(F)c4)n23)cc(-c2ncnn2C)n1,YSUAEWAVMHATHW-UHFFFAOYSA-N,3,1,0.478,36,463,431.435,2.712,5,0.418,0.68,0.998,0.4865070934137482,0.46341923103282845,0.1683829072716058,0.13999211842916867,0.31457533753683775
EOS-3-15228,c1cncc(-c2ncncc2-c2nnc3cncc(Cc4ccc(-c5cnncn5)cc4)n23)c1,FVAHSCYULPXIAT-UHFFFAOYSA-N,3,1,0.33,94,809,444.462,3.086,6,0.395,0.66,0.932,0.2144472620108286,0.07756493729011034,0.3353694057980947,0.34938489479816326,0.24419162497429922
EOS-3-15229,Cc1nccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)n1,XRJYJAMBBTUVAG-UHFFFAOYSA-N,3,1,0.295,42,608,432.451,3.199,6,0.417,0.65,1.0,0.004583304776917278,0.016011582482352134,0.22244876978959632,0.1981615379343431,0.11030129874580222
EOS-3-15230,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,PHFQOVWLJYQFGT-UHFFFAOYSA-N,3,1,0.406,18,88,448.849,3.452,5,0.389,0.66,1.0,0.6457062572818861,0.6116612980604482,0.412857240764855,0.4879035021588651,0.5395320745665135
EOS-3-15232,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccnc(F)c5)c4)n23)cc1F,CUOGQZGMRTTWFZ-UHFFFAOYSA-N,3,1,0.398,14,358,474.446,4.221,5,0.386,0.82,1.0,0.3573521348776643,0.4545181961483106,0.9084624083339045,0.882376122267151,0.6506772154067576
EOS-3-15233,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)cc1,ZHCLZDJBRVEJAO-UHFFFAOYSA-N,3,1,0.306,94,543,448.425,3.301,6,0.4,0.66,0.961,0.1840004112123912,0.2830940305667877,0.4025769309848537,0.48791206908368173,0.3393958604619286
EOS-3-15234,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1Cl,NMZOJSMYUQGYPL-UHFFFAOYSA-N,3,1,0.61,35,619,431.887,3.862,5,0.406,0.7,1.0,0.8294924953738606,0.8203173188952094,0.5296072921664039,0.5342505654170379,0.6784169179631279
EOS-3-15235,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)ccn1,YJUODBHDWBJRDL-UHFFFAOYSA-N,3,1,0.563,26,626,429.459,3.656,5,0.41,0.77,1.0,0.7251987526557467,0.6352546090055514,0.6227725995476664,0.5206377218833528,0.6259659207730793
EOS-3-15236,Clc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5nncs5)c4)n23)c1,PHAGSLPVANFTFU-UHFFFAOYSA-N,3,1,0.529,75,530,436.888,3.375,5,0.399,0.72,1.0,0.682432663970941,0.726792200671647,0.2512507710232335,0.31457747926804197,0.49376327873346587
EOS-3-15237,Cc1noc(-c2ccc(-c3nnc4cncc(-c5nc(C(F)F)nnc5C)n34)cn2)n1,CQDDEZWMWGRDBI-UHFFFAOYSA-N,3,1,0.346,50,974,422.359,2.643,5,0.425,0.69,0.998,0.3035261462545405,0.2937769858131725,0.047503598108423,0.042389143992872316,0.17179896854225207
EOS-3-15238,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)nc2)nn1,PDFAUQIFEMZBHK-UHFFFAOYSA-N,3,1,0.54,36,677,427.403,2.572,5,0.42,0.68,1.0,0.44327839078884246,0.5537574532245905,0.6017322321979303,0.537240422178055,0.5340021245973545
EOS-3-15239,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)c1,UHLPDCCMHSDJMD-UHFFFAOYSA-N,3,1,0.346,64,449,446.449,4.511,6,0.393,0.77,1.0,0.2634415050373518,0.31898944554862585,0.5764683709135768,0.6510348845178535,0.452483551504352
EOS-3-15240,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)ncn4)n23)nc1,BQZMILIZFHZAJR-UHFFFAOYSA-N,3,1,0.441,44,481,465.304,3.967,5,0.371,0.77,0.79,0.5829706668494278,0.5927712288396957,0.4603180042491947,0.570094578849976,0.5515386196970735
EOS-3-15241,Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nn2)nn1,WKZFCUGGXGEXHO-UHFFFAOYSA-N,3,1,0.33,98,608,433.439,2.594,6,0.412,0.65,1.0,0.002235967377150298,0.01755362894935234,0.10096120896443013,0.1132119114522651,0.05849067918579946
EOS-3-15242,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)s2)nc1,PFCWGAICRQUTDY-UHFFFAOYSA-N,3,1,0.262,10,195,440.467,4.302,6,0.406,0.74,0.679,0.017056747309985607,0.04062435748063875,0.36154992803783154,0.4321328216023576,0.21284096360770338
EOS-3-15243,COc1ncncc1COc1cncc2nnc(-c3ccc(-c4ccccn4)c(F)c3)n12,AANDQHPPDJKVSD-UHFFFAOYSA-N,3,1,0.473,97,214,429.415,3.37,5,0.405,0.71,1.0,0.9114265643204715,0.7084161469398944,0.5328627235967377,0.4353882530326914,0.6470234219724488
EOS-3-15244,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(F)cn5)n4)n23)cc1F,CZWGINRLVZZJRX-UHFFFAOYSA-N,3,1,0.489,4,71,460.404,2.599,5,0.409,0.65,1.0,0.6578113220478377,0.3858628606675348,0.44263587142759236,0.3941813446645192,0.470122849701871
EOS-3-15245,Cn1ccnc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3F)n12,OSRYCAPEBIUZKD-UHFFFAOYSA-N,3,1,0.276,39,495,454.433,1.978,6,0.392,0.66,0.917,0.11808649167294907,0.22186621890206293,0.045918717017339454,0.07755637036529367,0.11585694948941128
EOS-3-15246,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nn4)n23)c(F)c1,SHUPKMZLPNEHEW-UHFFFAOYSA-N,3,1,0.333,99,765,454.433,1.978,6,0.392,0.66,1.0,0.20912720169967788,0.357592008772531,0.08660304297169488,0.12243848947981632,0.19394018573093
EOS-3-15247,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5scnc5Cl)nc4)n23)cc1,SSBGOVSUDKKJSB-UHFFFAOYSA-N,3,1,0.548,89,731,463.91,3.641,5,0.408,0.75,1.0,0.6855681584538414,0.44997772599547664,0.3914827633472689,0.3269138510040436,0.46348562470015764
EOS-3-15248,COc1ncc(F)cc1-c1ccc(Cc2cncc3nnc(-c4ccc(C)nc4)n23)nc1,UHMAYVBFGOVELB-UHFFFAOYSA-N,3,1,0.373,14,290,427.443,3.69,5,0.422,0.71,1.0,0.47141217188677953,0.5537660201494071,0.5227794530875197,0.40650058255088756,0.48861455691864847
EOS-3-15249,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ccn2)c(C)n1,OFSGKNWTPWZOKK-UHFFFAOYSA-N,3,1,0.506,75,441,428.431,3.373,5,0.393,0.73,1.0,0.6944349256390926,0.5589147419642245,0.4242855184702899,0.31755876910424236,0.4987984887944623
EOS-3-15250,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnco5)c4)n23)ccc1Cl,OVXHRHWWEABWJO-UHFFFAOYSA-N,3,1,0.645,34,96,440.797,4.352,5,0.401,0.77,1.0,0.9667860324857789,0.9733225961208964,0.919745048317456,0.9254506202453567,0.946326074292372
EOS-3-15251,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)nc2)cc1,IUKBOPUUUKWWQW-UHFFFAOYSA-N,3,1,0.327,3,118,448.465,4.549,6,0.393,0.78,0.166,0.014452402165718593,0.14042903159481873,0.5919916386813789,0.6480878623809198,0.348740233705709
EOS-3-15252,COc1ccc(-c2cnc(C)c(Cl)c2)cc1-c1cncc2nnc(-c3nccn3C)n12,CJIIWPBTJKMPRA-UHFFFAOYSA-N,3,1,0.304,82,478,431.887,4.224,5,0.423,0.76,1.0,0.1343722157494346,0.13300150777876774,0.5363408950723049,0.4909533273935988,0.3236669864985265
EOS-3-15253,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)cn1,OTXJSXWBJRHGAT-UHFFFAOYSA-N,3,1,0.471,46,915,435.85,3.958,5,0.415,0.7,1.0,0.6228154341717497,0.6301915564389007,0.8032006031115071,0.8033119731341237,0.7148798917140703
EOS-3-15254,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nn2)c1,UPGPEJNLWCIEHP-UHFFFAOYSA-N,3,1,0.307,10,37,442.83,3.137,6,0.404,0.7,0.97,0.06133061476252485,0.17131279555890616,0.2368840381056816,0.3555702145157974,0.2062744157357275
EOS-3-15255,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1,POVMGVYKBIKFBS-UHFFFAOYSA-N,3,1,0.31,32,191,431.463,3.711,6,0.419,0.69,1.0,0.092531354944829,0.06312966897402508,0.35781474881776437,0.3332876430676444,0.21169085395106574
EOS-3-15256,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5c(C)noc5C)ncn4)n23)c(F)c1,TVNWOGBNDCQRMZ-UHFFFAOYSA-N,3,1,0.373,85,357,458.457,2.943,5,0.426,0.64,1.0,0.18122472757179084,0.2937855527379892,0.18126756219587417,0.11322047837708177,0.192374580220684
EOS-3-15257,Cc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4)n23)n1,OJPOLWVLDJOSRY-UHFFFAOYSA-N,3,1,0.479,65,263,429.419,2.502,5,0.401,0.72,1.0,0.7639298197519019,0.7584983894181344,0.09842539921869646,0.08993557672537866,0.42769729627852787
EOS-3-15258,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(F)c5)n4)n23)cc1,FWDOCDNKCAGOIQ-UHFFFAOYSA-N,3,1,0.411,29,704,412.388,2.548,5,0.481,0.81,1.0,0.18681036255225825,0.1885494482900418,0.33177129737509425,0.3236070180248098,0.25768453156055104
EOS-3-15259,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cc2F)nc1,BJIYFNTVRVOLLC-UHFFFAOYSA-N,3,1,0.549,4,677,433.472,4.04,5,0.413,0.78,1.0,0.6061784661777808,0.6497498457953533,0.2769515454732369,0.23939414707696524,0.44306850113083407
EOS-3-15261,O=C(O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5cnsc5)cc4F)n23)cc1,QLNWHNBQGCZKCI-UHFFFAOYSA-N,3,1,0.432,14,81,432.44,3.738,5,0.451,0.65,1.0,0.31891234322527584,0.11918305804948255,0.539613460352272,0.45741381673634435,0.3587806695908437
EOS-3-15262,N#Cc1cccc(-c2ncnnc2-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,BNFYUJCFZWYDHD-UHFFFAOYSA-N,3,1,0.406,46,62,441.842,3.142,5,0.404,0.67,1.0,0.6256510862860668,0.5495082585155233,0.5053029264615174,0.6007042012199301,0.5702916181207595
EOS-3-15263,Cn1nccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cnn1,MHGXFMGGSVWXNY-UHFFFAOYSA-N,3,1,0.27,70,957,432.451,3.106,6,0.418,0.66,1.0,0.037480296072921665,0.014555205263518608,0.30592488520320743,0.3053337673908574,0.16582353848262626
EOS-3-15264,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnn(C6CCOC6)c5)c4)n23)cc1,RZUUZPVTZSIZJU-UHFFFAOYSA-N,3,1,0.297,74,738,466.505,3.038,6,0.424,0.67,1.0,0.046329929408539514,0.007958673154684395,0.16839147419642245,0.15767425125077103,0.09508858200260434
EOS-3-15265,CCn1cc(-n2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)cn1,CSVIWRVCZYIQKR-UHFFFAOYSA-N,3,1,0.494,92,51,436.426,3.71,5,0.387,0.77,1.0,0.384877664313618,0.38587142759235143,0.6878555273798918,0.5796209992461107,0.5095564046329929
EOS-3-15266,N#Cc1cc(F)cc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)n1,ROIYNIOUOKDCKL-UHFFFAOYSA-N,3,1,0.511,24,912,442.389,3.372,5,0.407,0.67,1.0,0.6488074840655198,0.6790058940442739,0.7544376670550339,0.7296792543348639,0.7029825748749229
EOS-3-15267,c1cnc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5cncnc5)n34)c2)nc1,BLXVGGFKGGDLLV-UHFFFAOYSA-N,3,1,0.295,42,106,429.447,3.767,6,0.417,0.7,1.0,0.09972757179082996,0.0906980330340621,0.36897745185388253,0.3880217257213351,0.23685619560002744
EOS-3-15268,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cn4)n23)cn1,TXHVTSGLFBQOLD-UHFFFAOYSA-N,3,1,0.286,70,968,433.439,2.501,6,0.412,0.65,0.998,0.10486772668083065,0.047863408950723045,0.11745253923651566,0.1247601261051333,0.09873595024330067
EOS-3-15269,c1ccc(-c2cncnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1,BXILDCUJVWALJS-UHFFFAOYSA-N,3,1,0.253,76,387,419.412,2.49,6,0.457,0.71,0.259,0.07450654513055993,0.09070659995887877,0.09843396614351313,0.16040710026728805,0.10601355287505997
EOS-3-15270,FC(F)Oc1ccc(-c2nnc3cncc(OCc4nc(-c5ccsc5)no4)n23)cc1,RJLQNDUDEFRFDX-UHFFFAOYSA-N,3,1,0.667,27,996,442.407,4.083,5,0.372,0.82,1.0,0.7400366664382153,0.7497772599547666,0.6049276951545474,0.5635494482900418,0.6645727674593929
EOS-3-15271,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ncc(F)cc4Cl)n23)cc1,JCRUEMUWCIMYQQ-UHFFFAOYSA-N,3,1,0.349,74,333,462.876,3.406,5,0.439,0.65,1.0,0.220032896991296,0.24745562332944965,0.442644438352409,0.43539681995750806,0.33638244465766565
EOS-3-15272,CCn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,DNZIPENTGRJLCZ-UHFFFAOYSA-N,3,1,0.425,22,311,437.294,4.439,5,0.387,0.82,1.0,0.2173428825988623,0.44564286203824277,0.29502775683640603,0.5635580152148585,0.3803928791720924
EOS-3-15274,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccn2)nn1,VBUOZMOQESZROU-UHFFFAOYSA-N,3,1,0.454,89,398,479.504,2.818,6,0.374,0.82,1.0,0.3290898499074772,0.10003598108423001,0.08661160989651155,0.0827650606538277,0.1496256253855116
EOS-3-15275,COc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccn(C)n5)cn4)n23)c(Cl)c1,DNOADAORMPOBRV-UHFFFAOYSA-N,3,1,0.449,13,412,433.859,4.041,5,0.413,0.77,1.0,0.44787882941539303,0.5830991707216777,0.622781166472483,0.5142210951956686,0.5419950654513056
EOS-3-15276,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(F)c1,LMXYEJGUEMFONV-UHFFFAOYSA-N,3,1,0.489,37,482,450.865,3.396,5,0.391,0.69,1.0,0.7340826536906312,0.7268007675964636,0.4982694811870331,0.5308066616407374,0.6224898910287164
EOS-3-15277,Fc1cnnc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)cc2F)c1,CVUBYYJAAVWZGA-UHFFFAOYSA-N,3,1,0.358,85,487,437.801,2.956,5,0.422,0.61,1.0,0.422503598108423,0.5217599890343362,0.519498320882736,0.6423994243026523,0.5265403330820368
EOS-3-15278,CCc1nc(-c2cnn(C)c2)cc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)n1,DDQUUYRKXUCXQV-UHFFFAOYSA-N,3,1,0.326,50,974,441.499,2.834,5,0.442,0.64,0.834,0.07871290521554383,0.08774244397231169,0.21547529298882873,0.07375265574669317,0.11392082448084435
EOS-3-15279,COc1nc(-c2cccc(C)n2)ccc1-c1nnc2cncc(OCc3cncc(F)c3)n12,XKYJHJNJQSLMNY-UHFFFAOYSA-N,3,1,0.5,24,710,443.442,3.678,5,0.392,0.72,0.995,0.7282143101912137,0.5725018847234596,0.4352768830100747,0.31149338633404156,0.5118716160646974
EOS-3-15280,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cn5)n34)cn2)nn1,SVHSSLPBUSYRNO-UHFFFAOYSA-N,3,1,0.317,86,968,451.429,2.64,6,0.398,0.65,1.0,0.12328661503666644,0.19284147762319237,0.1911280926598588,0.20432115687752725,0.17789433554931122
EOS-3-15281,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)ncc2F)nn1,KMDFVKSXBQTSHQ-UHFFFAOYSA-N,3,1,0.299,86,513,451.429,2.64,6,0.398,0.65,0.986,0.1260365979028168,0.2022308272222603,0.2691042423411692,0.2807638270166541,0.21953387362072513
EOS-3-15282,Cc1ncc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)c(-c2ccc(F)c(F)c2)n1,HNCWPRCYJWXREA-UHFFFAOYSA-N,3,1,0.316,73,261,436.813,3.945,5,0.422,0.69,0.978,0.38260742923720104,0.5081385785758344,0.6078575834418477,0.7112260982797615,0.5524574223836611
EOS-3-15283,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)nc2)cn1,XFJSGMUQMYPDAB-UHFFFAOYSA-N,3,1,0.318,98,543,450.441,3.245,6,0.402,0.66,1.0,0.10487629360564732,0.19745048317455965,0.3689860187786992,0.43214138852717426,0.27586354602152013
EOS-3-15284,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nncs5)cn4)n23)cc1,KKJPNHKJYJGALR-UHFFFAOYSA-N,3,1,0.595,4,32,421.873,3.937,5,0.424,0.79,1.0,0.6548300322116373,0.8806798711534508,0.46374477417586185,0.5308152285655541,0.6325174765266259
EOS-3-15285,Cc1cc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)ccc1-c1cccnn1,KCKQAZCYYXLXLP-UHFFFAOYSA-N,3,1,0.542,35,559,445.433,3.851,5,0.392,0.71,1.0,0.9082910698375711,0.8203258858200261,0.7165375916660955,0.6799396888492907,0.7812735590432458
EOS-3-15286,O=c1ccc(CCOc2cncc3nnc(-c4cccc(-c5cccc(F)c5)c4)n23)n[nH]1,YPVPKXVKZFEHAM-UHFFFAOYSA-N,3,1,0.551,57,660,428.427,3.302,5,0.446,0.75,1.0,0.5690579809471592,0.5171167157837023,0.6108560071276814,0.6538534027825372,0.58772102666027
EOS-3-15287,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)nn1,BJUWDWMXTCUFCM-UHFFFAOYSA-N,3,1,0.245,99,286,434.427,1.896,6,0.404,0.66,0.619,0.04343430882050579,0.019172777739702555,0.06852683160852581,0.0862517990542115,0.05434642930573641
EOS-3-15288,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccnnc5)ncc4Cl)n23)cc1,UAQKAQDYYPLFLA-UHFFFAOYSA-N,3,1,0.474,89,731,473.884,2.63,5,0.395,0.72,1.0,0.5501679117264067,0.4545267630731273,0.21898773216366252,0.1680830649030224,0.3479413679665548
EOS-3-15289,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cn1,JOLHHXLSVAOVNQ-UHFFFAOYSA-N,3,1,0.462,68,127,440.826,2.398,5,0.454,0.62,1.0,0.4914844767322322,0.47183195120279625,0.09135768624494552,0.16809163182783907,0.3056914365019533
EOS-3-15290,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4cncnc4)n23)c1,ZPNVJHOFGDTTPX-UHFFFAOYSA-N,3,1,0.275,86,495,433.439,2.501,6,0.412,0.66,1.0,0.0419950654513056,0.01321876499211843,0.10364265643204715,0.1353574121033514,0.07355347474470564
EOS-3-15291,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(C#N)c6)[nH]5)n34)cc2)n1,DRVGJWDUZYHACX-UHFFFAOYSA-N,3,1,0.326,67,642,457.461,3.276,6,0.421,0.69,1.0,0.16184634363648825,0.180111027345624,0.32439517510794325,0.35557878144061406,0.2554828318826674
EOS-3-15292,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)nc1,FHXZBUPDYWFNJI-UHFFFAOYSA-N,3,1,0.26,70,387,432.451,3.106,6,0.418,0.67,0.99,0.02971009526420396,0.028313686519087108,0.27279658693715303,0.2540778562127339,0.1462245562332945
EOS-3-15293,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cn1,ZPZIYMCSITVENH-UHFFFAOYSA-N,3,1,0.44,7,535,435.398,2.893,5,0.401,0.67,1.0,0.544976355287506,0.44998629292029335,0.5090552395312179,0.37202727708861627,0.4690112912069083
EOS-3-15294,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)c1,JRPCNNYJHUPIFC-UHFFFAOYSA-N,3,1,0.28,64,176,443.474,4.076,6,0.401,0.71,0.996,0.11809505859776574,0.04063292440545542,0.1911366595846755,0.22436776094852992,0.14355810088410664
EOS-3-15295,Cn1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)ncn2)n1,NKTSZGUJDBVKEZ-UHFFFAOYSA-N,3,1,0.245,99,841,437.431,1.234,6,0.395,0.64,0.967,0.0542629017887739,0.028322253443903777,0.027199986292920295,0.02041498183811939,0.03255003084092934
EOS-3-15296,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,UQATYWUBYFSJGG-UHFFFAOYSA-N,3,1,0.412,18,949,449.837,2.847,5,0.385,0.65,1.0,0.6704903707765061,0.62548831471455,0.2189962990884792,0.2837965184017545,0.4496928757453225
EOS-3-15297,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)ncn2)n1,CJFKLVYREMIBPC-UHFFFAOYSA-N,3,1,0.484,89,463,427.428,1.813,5,0.427,0.69,1.0,0.47661229525049686,0.3905918031663354,0.1620433829072716,0.12476869302994997,0.28850404358851345
EOS-3-15298,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(C(F)(F)F)c4)n23)n1,PULZWORPUFQDMZ-UHFFFAOYSA-N,3,1,0.27,96,315,433.397,4.638,5,0.412,0.81,0.977,0.29579021314508946,0.3669299568226989,0.9151189089164553,0.8695171681173326,0.611839061750394
EOS-3-15299,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5Cl)n34)ccn2)cn1,MHIHAKPUFDHEJO-UHFFFAOYSA-N,3,1,0.512,59,577,447.861,4.323,5,0.396,0.77,1.0,0.8750085669248167,0.8085720649715578,0.8014101158248236,0.7807980947159208,0.8164472106092797
EOS-3-15300,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,UHUWXYGNCUGAPU-UHFFFAOYSA-N,3,1,0.556,36,728,420.824,2.004,5,0.42,0.75,1.0,0.5859519566856282,0.7455023644712494,0.07514906449181002,0.1446353916798026,0.38780969433212253
EOS-3-15301,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5Cl)n34)cn2)n1,FEMJJVKSVJQJFF-UHFFFAOYSA-N,3,1,0.478,55,910,448.849,3.718,5,0.4,0.73,0.999,0.8139863614556919,0.8350438626550614,0.5664193681036255,0.6037454595298472,0.7047987629360565
EOS-3-15302,Cn1nc(-c2ccccc2F)nc1-c1cncc2nnc(-c3ccc(-c4cccnn4)nc3)n12,NRRUWGQJRIXFDJ-UHFFFAOYSA-N,3,1,0.366,10,887,450.441,3.245,6,0.402,0.67,0.399,0.14507230484545267,0.2986686998834898,0.17510794325269002,0.25408642313755053,0.2182338427797958
EOS-3-15303,Cc1ccc(-c2nc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)nc1,LDNZSIQWVIWYEP-UHFFFAOYSA-N,3,1,0.466,18,56,427.443,3.712,5,0.408,0.72,1.0,0.7752809951339867,0.64975841272017,0.41664382153382223,0.3970940991021863,0.5596943321225413
EOS-3-15304,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)n1,HWMRRUBOLWFOLQ-UHFFFAOYSA-N,3,1,0.362,62,302,464.504,4.86,6,0.402,0.84,0.999,0.2256013981221301,0.2571619491467343,0.5465955040778562,0.5827479268041944,0.4030266945377287
EOS-3-15305,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)cc1,SMGJHQZTDAMXJY-UHFFFAOYSA-N,3,1,0.549,4,32,416.832,3.271,5,0.43,0.76,1.0,0.7340912206154478,0.9078370228222877,0.39897025563703653,0.47582413816736346,0.6291806593105339
EOS-3-15306,COc1ccc(Cl)cc1-c1nnc2cncc(-c3c(C)ncnc3-c3cccnc3)n12,HQBFCNDKOKPQRH-UHFFFAOYSA-N,3,1,0.356,82,478,429.871,4.281,5,0.421,0.74,1.0,0.28760023302035503,0.32364128572407647,0.5162428894524022,0.5173737235282023,0.411214532931259
EOS-3-15307,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4F)n23)c1,IWKNZDAKHSMYNY-UHFFFAOYSA-N,3,1,0.338,8,765,453.445,2.583,6,0.4,0.65,1.0,0.20354156671921048,0.30859776574600783,0.23689260503049825,0.2662086217531355,0.253810139812213
EOS-3-15308,Cc1cccc(-c2noc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)n2)c1,WDDSGLVEJBPSEZ-UHFFFAOYSA-N,3,1,0.313,64,449,450.437,4.413,6,0.389,0.79,1.0,0.284815982454938,0.3378195462956617,0.32791618120759375,0.42262353505585637,0.34329381125351244
EOS-3-15309,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccnc(F)c5)cc4C)n23)cc1,NDEKNBNWTQBYQU-UHFFFAOYSA-N,3,1,0.36,74,139,440.442,3.117,5,0.428,0.65,1.0,0.2226715098348297,0.24746419025426633,0.37690185730930026,0.29570454389692274,0.28568552532382974
EOS-3-15310,COc1cc(-c2nnc3cncc(OCc4nc(C#N)cs4)n23)ccc1-c1cncn1C,FBMZVDQHZLVDPD-UHFFFAOYSA-N,3,1,0.484,4,248,444.48,3.108,5,0.392,0.73,1.0,0.4409396203138921,0.3765420464670002,0.3244037420327599,0.2043297238023439,0.336553783153999
EOS-3-15311,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cn5)n34)cc2F)n1,MOQRMZUSJNZHSU-UHFFFAOYSA-N,3,1,0.465,51,196,433.382,2.599,5,0.412,0.66,1.0,0.8220135700089096,0.7268093345212803,0.3095058597765746,0.30829792337742445,0.5416566719210472
EOS-3-15312,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(C)n5)ncc4Cl)n23)cn1,WVZRXMMHNBZNFZ-UHFFFAOYSA-N,3,1,0.457,55,283,444.886,3.888,5,0.402,0.72,1.0,0.7608799945171681,0.7840278253718045,0.4461311767527928,0.38470632581728464,0.5939363306147625
EOS-3-15313,Cc1ncc(-c2nnn(C)n2)cc1-c1cncc2nnc(-c3ccc(C(C)(C)O)nc3)n12,MASRNCYWEXNKTC-UHFFFAOYSA-N,3,1,0.333,50,974,428.46,1.975,5,0.456,0.64,0.997,0.1204766636967994,0.10004454800904668,0.1556267562195874,0.054185799465423894,0.10758344184771435
EOS-3-15314,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nc2)c(C)n1,XNTNJTXZZGWGSI-UHFFFAOYSA-N,3,1,0.317,86,812,448.45,3.372,6,0.395,0.7,0.999,0.1565348502501542,0.10340278253718045,0.10898841751764786,0.08994414365019533,0.11471754848879447
EOS-3-15315,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)nc5)n34)cc2)cn1,QUJOZXSAAPMUOW-UHFFFAOYSA-N,3,1,0.311,42,50,417.436,3.7,6,0.466,0.79,1.0,0.08096600644232746,0.10341134946199712,0.45680556507436093,0.4446747995339593,0.2714644301281612
EOS-3-15316,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(F)n5)n34)c2)cn1,BMKJXUZQMSRRLI-UHFFFAOYSA-N,3,1,0.5,15,563,433.422,3.487,5,0.381,0.76,1.0,0.5829792337742444,0.5307809608662875,0.6961054759783428,0.639520937564252,0.6123466520457816
EOS-3-15317,Fc1cnc(N2CCC(Oc3cncc4nnc(-c5ccnc(-c6cccnc6)c5)n34)CC2)nc1,SRFOGVMCXYNZFM-UHFFFAOYSA-N,3,1,0.426,75,496,469.484,3.225,6,0.383,0.75,1.0,0.3640600370091152,0.2728908231101364,0.015334795421835377,0.07577445000342677,0.18201502638612843
EOS-3-15318,Cn1c(-c2ccccn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,YZRMEKDPUYQRCK-UHFFFAOYSA-N,3,1,0.333,8,474,466.896,3.759,6,0.386,0.75,0.859,0.1371907340141183,0.21166301144541155,0.1556353231444041,0.2689414707696525,0.19335763484339663
EOS-3-15319,COc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nc2)s1,SATPJEZHHJSYOL-UHFFFAOYSA-N,3,1,0.573,4,32,435.444,3.432,5,0.4,0.71,1.0,0.6488160509903365,0.7036186690425604,0.2879686107874717,0.2540949900623672,0.473624580220684
EOS-3-15320,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4csc(-c5ccccc5)n4)n23)cc1,GHKUKNFEGFXMAG-UHFFFAOYSA-N,3,1,0.394,93,74,436.504,4.377,6,0.408,0.78,1.0,0.05254951682544034,0.10005311493386335,0.25125933794805017,0.28380508532657117,0.17191676375848125
EOS-3-15321,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)nc2)n1,CMHYTJNHTVAWIW-UHFFFAOYSA-N,3,1,0.325,70,392,450.441,3.245,6,0.376,0.7,0.949,0.17259783428140635,0.25717051607155095,0.42032759920498936,0.40032382975807,0.31260494482900414
EOS-3-15322,Fc1cccnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,HJMLXNJHZUASDR-UHFFFAOYSA-N,3,1,0.342,32,20,446.449,4.511,6,0.393,0.75,1.0,0.2763775615105202,0.4190168597080392,0.5532177369611404,0.6191230895757659,0.4669338119388664
EOS-3-15323,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cc1,NASISLUHXFLHPK-UHFFFAOYSA-N,3,1,0.404,66,264,457.391,3.031,5,0.463,0.57,1.0,0.27143444589130283,0.3086063326708245,0.912240422178055,0.8033205400589405,0.5739004351997807
EOS-3-15324,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(C#N)c5)nc4)n23)cc1,QUWDYOPIAHNEOB-UHFFFAOYSA-N,3,1,0.337,9,98,455.485,4.187,6,0.392,0.76,1.0,0.14508087177026935,0.1404375985196354,0.6254968816393668,0.627655746693167,0.38466777465560964
EOS-3-15325,c1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncs6)ncn5)n34)cn2)ccn1,DACJVYSYAKBPDZ-UHFFFAOYSA-N,3,1,0.307,94,723,435.476,3.829,6,0.411,0.71,1.0,0.0707113974367761,0.14782228771160305,0.3279247481324104,0.3365944760468782,0.22076322733191694
EOS-3-15326,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(Cl)cn5)cn4)n23)cc1,LZBADUSHBQOFNU-UHFFFAOYSA-N,3,1,0.57,73,82,451.277,3.924,5,0.396,0.71,1.0,0.8035518470289905,0.9301024604208074,0.4568141319991776,0.5857035158659447,0.6940429888287301
EOS-3-15327,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ocnc5C)cc4F)n23)cc1,QPJLHLHVAWMPBX-UHFFFAOYSA-N,3,1,0.506,89,637,458.453,3.832,5,0.412,0.72,1.0,0.8035604139538072,0.5037437461448838,0.6312110204920841,0.4415564389006922,0.5950179048728668
EOS-3-15328,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)nc1,PSUWZXOWRQQNSF-UHFFFAOYSA-N,3,1,0.292,86,114,432.451,3.106,6,0.418,0.64,0.971,0.10488486053046399,0.047871975875539714,0.10365122335686382,0.12244705640463299,0.09471377904187513
EOS-3-15329,COc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)cn1,GHBVVBYSVRKIIM-UHFFFAOYSA-N,3,1,0.547,4,183,445.87,3.884,5,0.388,0.72,1.0,0.5320145980398876,0.6302001233637173,0.582550887533411,0.4939688849290659,0.5596836234665205
EOS-3-15330,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)cc5)[nH]4)n23)cc1,MHZJWORAAKYSCD-UHFFFAOYSA-N,3,1,0.377,3,42,437.442,3.783,6,0.45,0.68,1.0,0.20631725035981086,0.3136865190871085,0.48475944075114796,0.5308237954903707,0.3838967514221095
EOS-3-15331,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cn1,GFUVKBJZPYSQRI-UHFFFAOYSA-N,3,1,0.333,42,762,421.424,3.304,6,0.426,0.75,1.0,0.18400897813720787,0.09696045507504626,0.2582585155232678,0.23638715646631486,0.19390377630045919
EOS-3-15332,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cn1,VDVRADJPZNUSGR-UHFFFAOYSA-N,3,1,0.329,38,762,421.424,3.304,6,0.426,0.75,1.0,0.12604516482763348,0.09071516688369542,0.3095144267013913,0.2779453087519704,0.20105501679117266
EOS-3-15333,Fc1cncc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,UYHJWQCQXVZHNW-UHFFFAOYSA-N,3,1,0.593,97,71,432.846,4.62,5,0.403,0.78,1.0,0.859759440751148,0.9609348228359947,0.8796689740250839,0.8988845863888698,0.8998119560002741
EOS-3-15334,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)o2)cc1,ZCKOSXRQTJHJET-UHFFFAOYSA-N,3,1,0.324,30,541,418.42,3.965,6,0.423,0.84,0.991,0.1232951819614831,0.14404427386745253,0.23354293742718113,0.2865893358919882,0.19686793228702626
EOS-3-15335,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccs4)n23)cc1,SDDNORWLNYOETJ-UHFFFAOYSA-N,3,1,0.28,64,495,437.492,3.772,6,0.414,0.73,1.0,0.05602768830100747,0.07757350421492701,0.12308957576588307,0.16281440614077172,0.10487629360564732
EOS-3-15336,Clc1cccc(-c2cnc(-c3nnc4cncc(-c5cnn(-c6ncccn6)c5)n34)cn2)c1,CYBCFQZLYWTYTD-UHFFFAOYSA-N,3,1,0.314,86,72,452.869,3.544,6,0.399,0.68,1.0,0.001978959632650264,0.08457268179014461,0.2879771777122884,0.4003323966828867,0.1937153039544925
EOS-3-15337,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ncccn1,QEFRWKLVSYKKPW-UHFFFAOYSA-N,3,1,0.593,11,275,447.861,4.057,5,0.387,0.72,1.0,0.9749931464601467,0.9846395038037146,0.49472277431293266,0.5857120827907615,0.7600168768418888
EOS-3-15338,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc(F)n5C)n4)n23)cc1,LZNFZTBOPIREPP-UHFFFAOYSA-N,3,1,0.325,98,882,453.445,2.583,6,0.4,0.64,1.0,0.15654341717497086,0.20223939414707698,0.08163422657802755,0.0978514152559797,0.13456711328901377
EOS-3-15339,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)c2)nn1,QJGMCQQNAOXBBJ-UHFFFAOYSA-N,3,1,0.467,27,343,447.409,3.258,5,0.386,0.68,1.0,0.5244842711260366,0.5263689945857035,0.47761462545404704,0.3687804125830992,0.4743120759372216
EOS-3-15340,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)c(F)c2)c[nH]1,DRFOLKCCAWJWBR-UHFFFAOYSA-N,3,1,0.289,98,314,452.457,3.486,6,0.435,0.67,0.999,0.19263587142759236,0.22721197998766363,0.3615584949626482,0.35558734836543077,0.28424842368583375
EOS-3-15341,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cn1,LGXMZAQIMXXZPM-UHFFFAOYSA-N,3,1,0.293,38,787,431.463,3.711,6,0.419,0.7,1.0,0.0787214721403605,0.07050579124117606,0.43138749914330754,0.4065091494757042,0.2467809780001371
EOS-3-15343,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)n(C)n1,YCEZKNUACUJBNV-UHFFFAOYSA-N,3,1,0.315,98,882,448.494,3.358,6,0.407,0.66,1.0,0.10730930025358097,0.05531663354122404,0.19470906723322595,0.1547786306627373,0.12802840792269207
EOS-3-15344,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)s4)n23)cn1,LVXNLYAZIPAYKE-UHFFFAOYSA-N,3,1,0.279,99,601,442.472,1.901,6,0.402,0.64,0.878,0.046338496333356176,0.10006168185868,0.011342608457268179,0.010640120622301418,0.04209572681790144
EOS-3-15345,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)nc1,KJVIKUVLVNLPLL-UHFFFAOYSA-N,3,1,0.29,99,664,421.428,2.23,6,0.425,0.7,0.915,0.001987526557466932,0.013227331916935097,0.08915598656706189,0.08995271057501199,0.04858088890411898
EOS-3-15346,NC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(-c5cncnc5)n4)n23)cc1,NVVYQULLQGFKDG-UHFFFAOYSA-N,3,1,0.6,89,731,456.441,2.503,5,0.395,0.66,0.999,0.6340723733808512,0.24747275717908299,0.3843550818998012,0.29571311082173946,0.3904033308203687
EOS-3-15347,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cc4)n23)cc1,YKVLHDNURQNMSZ-UHFFFAOYSA-N,3,1,0.343,9,98,420.436,3.909,6,0.426,0.78,1.0,0.11235521897059832,0.07410389966417655,0.3953036118155027,0.3720358440134329,0.23844964361592763
EOS-3-15348,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)c(Cl)c1,VEJLFJVOSQXYGV-UHFFFAOYSA-N,3,1,0.483,97,401,429.871,4.184,5,0.413,0.75,1.0,0.6284524707011171,0.7796672606401206,0.5920002056061956,0.6007127681447467,0.650208176273045
EOS-3-15349,CCn1nc(-c2cnccn2)nc1-c1cncc2nnc(-c3cc(Cl)ccc3F)n12,QMBKESCNHXBXSV-UHFFFAOYSA-N,3,1,0.329,50,844,421.827,3.319,5,0.438,0.73,0.775,0.13961517373723528,0.277876773353437,0.11746110616133233,0.289741964224522,0.20617375436913166
EOS-3-15350,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)cc1,KEKRDVFAJGEGAH-UHFFFAOYSA-N,3,1,0.311,10,952,419.412,2.286,6,0.423,0.74,1.0,0.011291206908368172,0.03711191830580495,0.0664793365773422,0.09785998218079638,0.05318561099307792
EOS-3-15351,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cncnn5)n4)n23)c1,OZWIATKCDFAHDE-UHFFFAOYSA-N,3,1,0.3,39,527,439.378,1.215,6,0.39,0.66,0.723,0.00680213830443424,0.09390206291549585,0.020123706394352684,0.058546364197107806,0.04484356795284765
EOS-3-15352,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(F)nc5)nn4)n23)c(F)c1,VPOWSXSQNQXSNX-UHFFFAOYSA-N,3,1,0.51,4,772,463.408,1.984,5,0.379,0.71,1.0,0.1812332944966075,0.30861489959564115,0.37296963881844974,0.29266328558700566,0.288870279624426
EOS-3-15353,CCn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)N6CC(F)C6)nc5)n34)nc2)n1,QDFPIDUWWPNCLC-UHFFFAOYSA-N,3,1,0.33,52,974,469.484,2.926,6,0.39,0.71,0.612,0.09731169899252964,0.1885580152148585,0.03166335412240422,0.05282365841957371,0.09258918168734152
EOS-3-15354,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5ccc(Cl)n5)cc4)n23)nc1,XTHZHOCKXJUNKO-UHFFFAOYSA-N,3,1,0.437,46,348,438.278,4.258,5,0.408,0.74,1.0,0.46659756013981224,0.4587502570077445,0.7087845247070111,0.7758121444726201,0.602486121581797
EOS-3-15355,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncon4)nc3)n12,RARXWGPVENYLKA-UHFFFAOYSA-N,3,1,0.309,42,693,427.359,3.092,6,0.413,0.71,1.0,0.37096497841134946,0.35760057569734766,0.3542337742443972,0.3785552737989171,0.36533865053800285
EOS-3-15356,Cc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-n5ccnc5)nc4)n23)n1,STJKRQGCXGHXPD-UHFFFAOYSA-N,3,1,0.295,42,935,431.463,3.804,6,0.418,0.68,0.993,0.005414296484134056,0.01117983688575149,0.3207370982112261,0.2957216777465561,0.15826322733191694
EOS-3-15357,Fc1cc(Cl)cc(COc2cncc3nnc(-c4cnnc(-c5ncccn5)c4)n23)c1,LHSQUKBYSSVBSS-UHFFFAOYSA-N,3,1,0.506,55,16,434.822,3.41,5,0.414,0.66,1.0,0.740045233363032,0.762533411006785,0.5764769378383935,0.6395295044890686,0.6796462716743198
EOS-3-15358,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)ccn1,PWRRTLGGAIRAQL-UHFFFAOYSA-N,3,1,0.4,51,160,430.859,3.579,5,0.416,0.67,1.0,0.46168014529504486,0.4718405181276129,0.357823315742581,0.362517990542115,0.41346549242683844
EOS-3-15359,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2)nn1,KEGIBESXBNXTCN-UHFFFAOYSA-N,3,1,0.461,4,162,430.859,3.579,5,0.416,0.67,1.0,0.4432869577136591,0.5589233088890412,0.38436364882461793,0.3847148927421013,0.4428222020423549
EOS-3-15360,Fc1ccc(-c2ncncc2-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)cc1,MKDNPKDQAJXOCH-UHFFFAOYSA-N,3,1,0.337,14,81,433.397,4.311,5,0.411,0.74,0.638,0.4295456103077239,0.517125282708519,0.8758652594064834,0.8645483517236653,0.6717711260365979
EOS-3-15361,CNC(=O)c1ccc(-c2nc(C)ncc2-c2nnc3cncc(OCCc4ccccc4)n23)cc1,LIEWBYUARZHVQH-UHFFFAOYSA-N,3,1,0.625,62,824,465.517,3.538,5,0.392,0.74,1.0,0.4839884175176479,0.14044616544445207,0.2691128092659859,0.16810019875265575,0.2654118977451854
EOS-3-15362,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cc5F)n34)cc2)n(C)n1,PRARMCWMIUONGX-UHFFFAOYSA-N,3,1,0.351,67,642,466.484,3.497,6,0.392,0.71,1.0,0.217351449523679,0.267767802069769,0.254823178671784,0.26297889109725175,0.2507303303406209
EOS-3-15363,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)nn5)nc4)n23)cc1F,OBCXOMFIRFGZHS-UHFFFAOYSA-N,3,1,0.495,16,788,461.392,1.994,5,0.401,0.64,0.97,0.6340809403056679,0.32825029127544375,0.3425484887944623,0.2926718525118224,0.3993878932218491
EOS-3-15365,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,YYRQSXXTZYLSPR-UHFFFAOYSA-N,3,1,0.535,16,772,435.85,3.958,5,0.415,0.71,1.0,0.8139949283805086,0.8518264683709136,0.6798711534507573,0.6915307381262422,0.7593058220821054
EOS-3-15366,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(CO)nc(Cl)c4F)n23)nc1,GJKDQIVXDGBHQD-UHFFFAOYSA-N,3,1,0.386,63,108,469.864,2.337,5,0.395,0.79,0.948,0.4225121650332397,0.2986772668083065,0.2476355287505997,0.30190699746419025,0.317682989514084
EOS-3-15367,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cc(C)c(-c5ccc(C)cn5)nn4)n23)cc1F,CKGVOTLZRFVBAA-UHFFFAOYSA-N,3,1,0.37,89,788,470.468,3.551,5,0.414,0.75,1.0,0.6612295250496881,0.44109382496059213,0.3244123089575766,0.20708827359331095,0.40845598314029197
EOS-3-15368,N#Cc1ccc(OCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,BNNMBGVULBHMBM-UHFFFAOYSA-N,3,1,0.404,63,536,411.425,2.529,5,0.518,0.79,1.0,0.40435885134672056,0.23196662326091427,0.25483174559660066,0.24806387499143306,0.2848052737989171
EOS-3-15369,Fc1ccc(F)c(-c2cc(-c3nnc4cncc(OCc5cncnc5F)n34)ccn2)c1,PSNKCOJHFNFJKF-UHFFFAOYSA-N,3,1,0.483,59,577,435.369,3.64,5,0.389,0.71,1.0,0.8884415050373518,0.8085806318963745,0.8745716537591666,0.8695257350421493,0.8602798814337604
EOS-3-15370,CNC(=O)c1ccc(-c2nnc3cncc(OCc4snnc4-c4ccccn4)n23)cc1,USEVEIRUQDQQMA-UHFFFAOYSA-N,3,1,0.483,89,398,444.48,2.643,5,0.424,0.68,1.0,0.40436741827153727,0.27289939003495306,0.06853539853334246,0.046269960934822836,0.1980180419436639
EOS-3-15371,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cncnc4-n4ccc(Cl)n4)n23)cc1,FPQZUDXUEPFFKP-UHFFFAOYSA-N,3,1,0.312,98,882,455.873,2.883,6,0.398,0.69,1.0,0.022933657734219723,0.13653108080323487,0.17158693715303955,0.23059591529024742,0.14041189774518537
EOS-3-15372,Cn1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)c(F)n1,PTLINLDRYBWZFQ-UHFFFAOYSA-N,3,1,0.566,37,325,434.41,2.882,5,0.405,0.69,1.0,0.7068226989239943,0.6549071345349873,0.4313960660681242,0.41936810362552257,0.5531235007881571
EOS-3-15373,Cn1nnc(-c2ccc(CCOc3cncc4nnc(-c5ccc(F)cc5Cl)n34)cc2)n1,PUEYUDGQSOXUTP-UHFFFAOYSA-N,3,1,0.76,91,258,450.865,3.396,5,0.391,0.7,1.0,0.8956205880337195,0.9159241998492221,0.5053114933863341,0.5731872387087931,0.7225108799945172
EOS-3-15374,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)c(F)c2)nn1,JQCRQIYUADMKGS-UHFFFAOYSA-N,3,1,0.565,16,214,439.414,2.936,5,0.406,0.66,1.0,0.7950962922349394,0.835052429579878,0.5162514563772188,0.45421835377972725,0.6501546329929409
EOS-3-15375,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)n4)n23)nc1,XJNCBZNNKUCXBF-UHFFFAOYSA-N,3,1,0.333,30,298,434.438,4.24,6,0.413,0.72,0.999,0.009894798163251319,0.15172880542800357,0.5363494619971215,0.6305513672812008,0.33213110821739433
EOS-3-15376,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)c1,XFWDNHCAAAPAEJ-UHFFFAOYSA-N,3,1,0.322,3,783,434.438,4.24,6,0.413,0.72,1.0,0.017922006716469055,0.16724350627098897,0.6312195874169009,0.6998834898224933,0.37906714755671306
EOS-3-15377,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1,QLZYEZHHOQPRGX-UHFFFAOYSA-N,3,1,0.338,64,885,436.41,4.104,6,0.406,0.73,1.0,0.3086834349941745,0.347765746007813,0.4982780481118498,0.5763398670413269,0.43276677403879105
EOS-3-15379,Cn1ncc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)c1-c1ccccc1,IVDOLHUUJKNTGU-UHFFFAOYSA-N,3,1,0.329,30,498,449.453,3.85,6,0.403,0.71,1.0,0.04937118771845658,0.14045473236926873,0.342557055719279,0.47872832568021384,0.25277782537180454
EOS-3-15380,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4)n23)cn1,KEDUBZWNICCCMD-UHFFFAOYSA-N,3,1,0.337,32,522,449.453,3.85,6,0.403,0.71,0.998,0.2063258172846275,0.31369508601192514,0.4061836063326708,0.4668888355835789,0.34827333630320056
EOS-3-15381,N#Cc1cc(Cl)c(F)c(CCc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1Cl,ZUTCPOXLLHLBBA-UHFFFAOYSA-N,3,1,0.472,23,646,455.28,3.993,4,0.458,0.64,1.0,0.4043759851963539,0.4675913234185457,0.8998783496676033,0.9070488657391542,0.6697236310054142
EOS-3-15382,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cncn4C)c3)n12,PVIDAOHLKIBXHS-UHFFFAOYSA-N,3,1,0.547,26,460,432.463,2.994,5,0.41,0.71,1.0,0.4742049893770132,0.5124991433075183,0.3425656226440957,0.28077239394147074,0.4025105373175245
EOS-3-15383,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(C)n5)n34)nc(C)n2)cn1,XAJZNAHHLFPZLO-UHFFFAOYSA-N,3,1,0.424,4,500,424.468,3.543,5,0.422,0.74,1.0,0.3165650058255089,0.1594904393119046,0.19471763415804264,0.11322904530189844,0.19600053114933866
EOS-3-15384,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1nccc(CO)n1,SVHCPMFXQCPSRV-UHFFFAOYSA-N,3,1,0.568,13,209,462.416,3.82,5,0.406,0.73,1.0,0.9082996367623878,0.8203344527448427,0.8171475567130423,0.7163748200945789,0.8155391165787129
EOS-3-15385,O=C(c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cn4)n23)cc1)N1CC(F)C1,YLVGGTSALJDWSF-UHFFFAOYSA-N,3,1,0.345,52,376,469.455,3.848,6,0.397,0.74,1.0,0.26345007196216846,0.26255911178123503,0.2950363237612227,0.432149955451991,0.31329886573915433
EOS-3-15386,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(-c3cnn(-c4cncnc4)c3)n12,WEDQNYKAVBXHEU-UHFFFAOYSA-N,3,1,0.31,42,151,440.467,4.302,6,0.406,0.72,1.0,0.012079363991501611,0.21167157837022824,0.6878640943047084,0.7112346652045781,0.4057124254677541
EOS-3-15387,Cc1n[nH]c(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,OZENSTHXTKGCDJ-UHFFFAOYSA-N,3,1,0.598,16,256,418.848,3.512,5,0.465,0.74,1.0,0.7783308203687205,0.812564251936125,0.4708039202247961,0.49397745185388253,0.638919111095881
EOS-3-15389,N#Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)nc1,LPSLTYDCAVJUBI-UHFFFAOYSA-N,3,1,0.612,97,214,423.411,3.838,5,0.423,0.74,1.0,0.9645329312589953,0.9214755671304229,0.8633746830237817,0.8440305667877459,0.8983534370502364
EOS-3-15390,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(F)c5)ns4)n23)cc1,WMTOGBYAEKRTBZ-UHFFFAOYSA-N,3,1,0.408,62,837,475.484,4.147,6,0.41,0.81,1.0,0.1868189294770749,0.31899801247344256,0.30952299362620794,0.4479987663628264,0.3158346754848879
EOS-3-15391,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)cc1,HTYGJSBNJORMSM-UHFFFAOYSA-N,3,1,0.554,67,402,465.481,2.356,6,0.364,0.73,1.0,0.4272925090809403,0.25237303817421697,0.11439414707696526,0.1020320745665136,0.22402294222465904
EOS-3-15392,COc1ncc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,AFMQVNIAWCXHMS-UHFFFAOYSA-N,3,1,0.326,25,866,463.465,2.509,6,0.375,0.73,1.0,0.15906209307107122,0.10341991638681379,0.11142142416558153,0.10204064149133027,0.11898601877869922
EOS-3-15393,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncc(F)cn5)c4)n23)cn1,JPKDXLDISZRGDJ-UHFFFAOYSA-N,3,1,0.447,55,382,444.39,1.25,5,0.404,0.65,0.974,0.5527465560962237,0.3477743129326297,0.09136625316976218,0.06813275306695908,0.2650049688163937
EOS-3-15394,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncn4)n23)cn1,HJDCHSZKIGSFMB-UHFFFAOYSA-N,3,1,0.457,4,617,431.847,2.974,5,0.413,0.66,1.0,0.5296244260160373,0.6838890411897746,0.2654804331437187,0.25704201219930095,0.43400897813720785
EOS-3-15395,Cc1cc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)cc(-c2ccccn2)n1,CLLVKONDJYXIRL-UHFFFAOYSA-N,3,1,0.282,76,935,446.478,3.414,6,0.405,0.68,1.0,0.08516379960249469,0.025897813720786787,0.1715955040778562,0.16549585360838873,0.11203824275238161
EOS-3-15396,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)n(C)n1,BTLIRSCOAOWHGM-UHFFFAOYSA-N,3,1,0.32,38,608,446.478,3.414,6,0.405,0.68,1.0,0.06661640737440888,0.0442053320540059,0.08662017682132822,0.08806798711534508,0.07137747584127202
EOS-3-15397,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1F,DOHPBQWGXPAEHZ-UHFFFAOYSA-N,3,1,0.291,10,118,453.416,3.774,6,0.401,0.68,0.654,0.05427146871359057,0.19285004454800905,0.5532263038859571,0.6424079912274689,0.3606889520937564
EOS-3-15398,Cn1cc(-c2cc(Cl)nc(-c3cncc4nnc(-c5ccc(F)cc5CO)n34)c2)cn1,FICVAOOVVFTZST-UHFFFAOYSA-N,3,1,0.329,22,844,435.85,3.539,5,0.434,0.67,1.0,0.23939414707696524,0.41443355493112194,0.8154170379000754,0.8202573504214927,0.5723755225824139
EOS-3-15399,Cn1c(Cl)nnc1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)ccn1,BCRDBVYRBURVGZ-UHFFFAOYSA-N,3,1,0.518,34,446,454.828,3.492,5,0.401,0.72,1.0,0.7340997875402645,0.8203430196696594,0.5296158590912207,0.6191316565005826,0.6757975807004318
EOS-3-15400,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,OQRLTVIOFUILOT-UHFFFAOYSA-N,3,1,0.291,98,727,442.443,3.296,6,0.441,0.69,1.0,0.15375059968473717,0.2729079569597697,0.35783188266739774,0.40985881707902133,0.2985873140977315
EOS-3-15401,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-n1cccn1,WXQXMXICXGOQQY-UHFFFAOYSA-N,3,1,0.6,37,563,435.85,3.786,5,0.403,0.73,1.0,0.7811150709341375,0.8915512987458022,0.512533411006785,0.6007213350695634,0.6964802789390719
EOS-3-15402,c1ccc(-c2cncnc2-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cc1,KSEVCTNCBGZZJH-UHFFFAOYSA-N,3,1,0.382,93,553,418.42,3.965,6,0.423,0.83,1.0,0.22560996504694675,0.12264409567541636,0.40619217325748747,0.4480073332876431,0.3006133918168734
EOS-3-15403,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(F)cn5)cn4)n23)cn1,YSZXPGWBQWEVTI-UHFFFAOYSA-N,3,1,0.381,85,674,442.418,1.523,5,0.429,0.61,1.0,0.23940271400178192,0.24748132410389967,0.058563498046741144,0.04112123912000548,0.14664219381810706
EOS-3-15404,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)[nH]2)c1,SJECCEPGQQBXIW-UHFFFAOYSA-N,3,1,0.375,3,867,435.426,3.84,6,0.448,0.7,1.0,0.21736001644849565,0.3327993283530944,0.47409361935439653,0.5473065588376397,0.3928898807484066
EOS-3-15405,Clc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ccccn1,VDBLHRSOCNFNTP-UHFFFAOYSA-N,3,1,0.638,11,595,428.883,4.523,5,0.395,0.78,1.0,0.9224436296347063,0.9376841888835583,0.729627852785964,0.7508224247824001,0.8351445240216572
EOS-3-15406,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccn1,JGMFRMLPUWOHCW-UHFFFAOYSA-N,3,1,0.473,31,602,433.863,2.652,5,0.402,0.69,1.0,0.5089952710575012,0.47184908505242956,0.18462579672400795,0.2011171269960935,0.341646819957508
EOS-3-15407,Cc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,XREKTIXQYJMYPE-UHFFFAOYSA-N,3,1,0.487,61,121,433.422,4.164,5,0.414,0.76,1.0,0.42252073195805634,0.4634277979576451,0.8244208758823932,0.7712545404701528,0.6204059865670619
EOS-3-15408,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)nn1,ZIGQSQIQBLQSPY-UHFFFAOYSA-N,3,1,0.506,24,583,430.859,3.313,5,0.404,0.68,1.0,0.6457148242067028,0.6643136179836886,0.2548403125214173,0.3083064903022411,0.46829381125351244
EOS-3-15409,CCn1cc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)ncc2F)cn1,LTGRONKLXDJIED-UHFFFAOYSA-N,3,1,0.3,98,882,467.472,3.066,6,0.38,0.72,1.0,0.2256185319717634,0.2116801452950449,0.11440271400178192,0.11323761222671509,0.16623475087382633
EOS-3-15410,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)cn1,DYXPDWJVHFLMCD-UHFFFAOYSA-N,3,1,0.536,7,85,430.859,3.579,5,0.416,0.69,1.0,0.5115139469536015,0.6790144609690906,0.40258549790967035,0.39710266602700295,0.49755414296484135
EOS-3-15411,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ncc(OC(F)F)cn5)n34)n2)c1,IGLPCQITHYARMX-UHFFFAOYSA-N,3,1,0.323,50,542,426.322,1.964,5,0.415,0.68,0.728,0.1290178877390172,0.35247755465698033,0.3095315605510246,0.40651771640052087,0.29938617983688576
EOS-3-15412,Cn1cc(-c2cn(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)cn2)cn1,GVFKOGKUKNLCNX-UHFFFAOYSA-N,3,1,0.287,86,151,438.43,2.974,6,0.39,0.69,0.997,0.0037780138441505036,0.109965046946748,0.4637533411006785,0.42890309094647383,0.2515998732095127
EOS-3-15413,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)cn5)n34)nn2)cc1,KZAJMWNXNVIPGV-UHFFFAOYSA-N,3,1,0.295,10,37,436.414,3.03,6,0.414,0.66,1.0,0.0073589884175176475,0.08775101089712836,0.4461397436776095,0.5104944829004181,0.2629360564731684
EOS-3-15414,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnccn6)nn5)n34)cn2)cc1,STVOAXOTNPSITA-UHFFFAOYSA-N,3,1,0.329,10,705,436.414,3.03,6,0.414,0.66,1.0,0.00922657802755123,0.1478308546364197,0.3769104242341169,0.457422383661161,0.24784756013981224
EOS-3-15415,Cn1nnc(-c2cc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)n(C)n2)n1,ZBPDNXHUMKHOQW-UHFFFAOYSA-N,3,1,0.26,98,866,425.416,2.037,6,0.416,0.7,1.0,0.03096943321225413,0.013235898841751765,0.035552737989171405,0.04495922143787266,0.031179322870262493
EOS-3-15416,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)cn1,XDMNQQRGMJQPGI-UHFFFAOYSA-N,3,1,0.705,88,73,432.434,4.092,5,0.404,0.75,1.0,0.5947758892467959,0.6067867178397642,0.8676838462065657,0.8476201082859297,0.7292166403947639
EOS-3-15417,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)n1,DNDLZRIRGGGVBH-UHFFFAOYSA-N,3,1,0.322,38,746,450.441,3.245,6,0.376,0.71,1.0,0.16991638681378932,0.3086234665204578,0.2879857446371051,0.3720444109382496,0.2846425022274004
EOS-3-15418,Cn1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6F)cc5)n34)nc2)n1,OBOTWZOKBVYDHS-UHFFFAOYSA-N,3,1,0.312,42,725,450.441,3.245,6,0.376,0.71,1.0,0.20913576862449454,0.2677763689945857,0.3729782057432664,0.38472345966691796,0.30865345075731615
EOS-3-15419,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccn4)n23)cc1F,GLAODGANVQNBST-UHFFFAOYSA-N,3,1,0.528,97,744,459.416,3.204,5,0.387,0.71,0.997,0.60013878418203,0.37165889932149954,0.7398738948666986,0.6652217120142554,0.5942233225961209
EOS-3-15420,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)ccn2)c(C)n1,KGVDNZTVHYLFFW-UHFFFAOYSA-N,3,1,0.547,97,183,443.898,4.493,5,0.395,0.77,1.0,0.7370125419779316,0.6790230278939072,0.5532348708107737,0.5308323624151875,0.6250257007744501
EOS-3-15421,Cc1nc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)cc(-c2cccnn2)n1,OSXPVGLOAHMIBI-UHFFFAOYSA-N,3,1,0.517,4,10,432.394,3.204,5,0.417,0.68,0.997,0.7126225070248784,0.8085891988211912,0.4847680076759646,0.4879206360084984,0.6234750873826331
EOS-3-15422,COc1cccc(COc2cncc3nnc(-c4cc(-c5cn(C)nc5C)ccn4)n23)c1,OQXTWPQXGGJBBO-UHFFFAOYSA-N,3,1,0.444,89,544,427.468,3.483,5,0.41,0.76,1.0,0.22004146391611268,0.10997361387156467,0.43140463299294085,0.2629874580220684,0.25610179220067164
EOS-3-15423,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c1F,WABJDKWBVVPVRP-UHFFFAOYSA-N,3,1,0.288,39,144,453.416,3.774,6,0.401,0.69,0.924,0.013732780481118497,0.09696902199986293,0.4947313412377493,0.6133147145500651,0.30468696456719896
EOS-3-15424,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c(F)c1,BXCKXKSMSBQLMV-UHFFFAOYSA-N,3,1,0.37,42,867,438.426,4.048,6,0.409,0.72,1.0,0.33873620725104514,0.33280789527791105,0.5920087725310123,0.5701031457747927,0.45841400520869025
EOS-3-15425,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)cc1,DNLIKZLHVAPVQH-UHFFFAOYSA-N,3,1,0.327,10,705,435.426,3.635,6,0.417,0.67,0.999,0.020894729627852784,0.1801195942704407,0.41286580768967174,0.4787368926050305,0.27315425604824894
EOS-3-15426,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cn2)ccn1,CTTAEJOZQXFFKX-UHFFFAOYSA-N,3,1,0.294,10,952,436.414,3.03,6,0.388,0.7,0.97,0.01981529710095264,0.1440528407922692,0.24060208347611542,0.3236155849496265,0.18202145157974095
EOS-3-15427,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C(F)F)ccc4F)n23)cc1,LFGIFSFZWIYAMC-UHFFFAOYSA-N,3,1,0.583,48,17,413.359,3.546,4,0.522,0.78,0.999,0.9526934411623603,0.6790315948187239,0.9516739771091769,0.9035535604139538,0.8717381433760538
EOS-3-15428,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)n6)c5)n34)nc2)cc1,KHAHEUCRYRNFOT-UHFFFAOYSA-N,3,1,0.33,30,664,459.448,4.112,6,0.365,0.79,0.839,0.015274826948118703,0.17132136248372284,0.742598176958399,0.7636985127818519,0.42322321979302313
EOS-3-15429,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnnn6C)c5)n34)cn2)cn1,FTYPIQJNLJMURK-UHFFFAOYSA-N,3,1,0.489,71,549,465.481,2.356,6,0.364,0.75,1.0,0.36406860393393187,0.24748989102871632,0.1527054348571037,0.12477725995476664,0.22226029744362966
EOS-3-15430,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)on2)nn1,XKHGIPRAZGZXGZ-UHFFFAOYSA-N,3,1,0.307,98,882,437.427,2.402,6,0.404,0.65,1.0,0.06662497429922555,0.05532520046604071,0.04592728394215612,0.046278527859639505,0.05353899664176547
EOS-3-15431,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nccnc4-c4ccccc4)n23)cc1,WROCHWDKWZZYHI-UHFFFAOYSA-N,3,1,0.346,64,365,446.449,4.511,6,0.393,0.78,1.0,0.2957987800699061,0.37166746624631625,0.5195068878075526,0.6305599342060174,0.45438326708244814
EOS-3-15432,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)s4)n23)cc1,LHJNSMZSSNYJSJ-UHFFFAOYSA-N,3,1,0.484,89,707,471.506,2.571,6,0.38,0.75,1.0,0.30869200191899115,0.1130234391062984,0.030489685422520733,0.03741176067438832,0.12240422178054966
EOS-3-15433,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnc(C#N)cn5)c4)n23)nc1,SQRAUYJPKKMZPO-UHFFFAOYSA-N,3,1,0.388,33,53,464.449,1.849,5,0.393,0.69,1.0,0.5189757384689192,0.23197519018573093,0.222457336714413,0.12478582687958331,0.2745485230621616
EOS-3-15435,CCn1cc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)nn2)cn1,IQOMIWBTTGYRCT-UHFFFAOYSA-N,3,1,0.281,39,972,453.445,2.852,6,0.391,0.68,1.0,0.018830100747035845,0.09391062984031252,0.12575388938386678,0.18464293057364128,0.10578438763621412
EOS-3-15436,Fc1cncc(-n2cc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)nn2)c1,UFOCGBJBLMDLNJ-UHFFFAOYSA-N,3,1,0.27,10,342,436.414,3.03,6,0.414,0.64,0.999,0.017065314234802276,0.08775957782194503,0.31326673977109176,0.422632101980673,0.21018093345212802
EOS-3-15439,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccnc4-c4cccc(F)c4F)n23)cc1,QSQVTJXGNBFBOQ-UHFFFAOYSA-N,3,1,0.362,62,302,468.467,4.691,6,0.405,0.82,1.0,0.25520012336371733,0.28310259749160444,0.652285655541087,0.7296878212596807,0.48006904941402234
EOS-3-15440,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)nn5C)n34)cc2)n1C,FDOCHDYSUKPFAY-UHFFFAOYSA-N,3,1,0.299,98,167,448.494,3.358,6,0.407,0.68,1.0,0.05603625522582414,0.05533376739085738,0.2619422931944349,0.20112569392091015,0.14360950243300666
EOS-3-15441,OCc1ccc(-c2nnc3cncc(-c4nnc(Cc5cccc(F)c5)s4)n23)cc1,JBPUTPXEURMVCN-UHFFFAOYSA-N,3,1,0.354,62,331,418.457,3.532,5,0.47,0.78,1.0,0.18986875471180864,0.4456514289630594,0.4741021862792132,0.5731958056336097,0.42070454389692274
EOS-3-15442,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cn5)n4)n23)nc1,XAAKZHWVAFFZFO-UHFFFAOYSA-N,3,1,0.407,7,775,452.265,3.319,5,0.396,0.64,1.0,0.5423377424439723,0.6693081351518059,0.24764409567541634,0.37856384072373384,0.4594634534987321
EOS-3-15443,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)nc1C,IEIWGZCXTPGLJL-UHFFFAOYSA-N,3,1,0.494,65,579,438.495,3.585,5,0.396,0.7,1.0,0.5551966965937907,0.405018504557604,0.09137482009457885,0.060105544513741345,0.2779238914399287
EOS-3-15444,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)c6)nn5)n34)nc2)n[nH]1,NMHMCTRKSODMNC-UHFFFAOYSA-N,3,1,0.291,10,37,455.873,3.181,6,0.429,0.67,0.955,0.012953190322801728,0.1262507710232335,0.1716040710026729,0.2599204989377013,0.14268213282160236
EOS-3-15445,CC(F)(F)c1ncc(-c2nnc3cncc(OCc4cc(F)cc(Cl)c4)n23)cn1,JAUSUOCJJUECCN-UHFFFAOYSA-N,3,1,0.56,68,811,420.782,4.065,4,0.484,0.69,1.0,0.8369714207388116,0.8611644164210814,0.9244739908162566,0.8753426769926667,0.8744881262422041
EOS-3-15446,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)ccc1-c1cncn1C,NELARJYTRVLMPA-UHFFFAOYSA-N,3,1,0.469,15,771,446.446,2.751,5,0.376,0.67,1.0,0.6033513809882805,0.49919470906723323,0.3542423411692139,0.244996915907066,0.4254463367829484
EOS-3-15447,Clc1cnc(-c2cc(-c3nnc4cncc(OCc5ccncc5Cl)n34)ccn2)nc1,GHOIYZXZZZTYIU-UHFFFAOYSA-N,3,1,0.494,73,775,451.277,3.924,5,0.396,0.72,1.0,0.755003084092934,0.7268179014460969,0.5697262010828593,0.6453378795147694,0.6742212665341649
EOS-3-15448,Cc1cnnc(-c2cnc(Cc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)cn2)n1,GPZILCUGYUHVJH-UHFFFAOYSA-N,3,1,0.347,85,674,429.875,3.294,5,0.428,0.64,1.0,0.3238725926941265,0.41902542663285586,0.20151977246247688,0.2689500376944692,0.3033419573709821
EOS-3-15449,COc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4ccnn4C)cn3)n12,RKLBJCNKDXJDJI-UHFFFAOYSA-N,3,1,0.299,52,295,467.493,2.55,6,0.404,0.71,1.0,0.145089438695086,0.07411246658899322,0.0329997943938044,0.02639469536015352,0.0696490987595093
EOS-3-15450,Fc1ccc(-c2nnc3cncc(Cc4cnc(OC(F)F)c(Cl)c4)n23)cc1Cl,FJVVAAIFPXFHEG-UHFFFAOYSA-N,3,1,0.457,23,225,440.212,4.824,4,0.445,0.76,1.0,0.8319169350969776,0.9317644438352409,0.9835857720512645,0.9888115961894318,0.9340196867932287
EOS-3-15452,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cc1,YQYAYAFIVUUMRX-UHFFFAOYSA-N,3,1,0.344,64,449,446.449,4.511,6,0.393,0.76,0.999,0.2660801178808855,0.36693852374751557,0.5261633883901035,0.6100507161949147,0.4423081865533548
EOS-3-15453,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cccc(F)c3)n12,LPIWQJKNJWKHAX-UHFFFAOYSA-N,3,1,0.612,91,955,442.454,4.018,5,0.376,0.74,1.0,0.9003066959084367,0.7315468439448976,0.6580511959427044,0.5635665821396751,0.7133678294839285
EOS-3-15454,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(C)nc5C(F)(F)F)n34)nc2)nn1,AKZLSQHFSUXFOL-UHFFFAOYSA-N,3,1,0.298,50,542,426.366,2.401,5,0.436,0.65,0.985,0.08097457336714413,0.1404632992940854,0.5920173394558289,0.41620690836817215,0.3074155301213076
EOS-3-15455,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)cn1,SSYBLVCCBVBKEG-UHFFFAOYSA-N,3,1,0.287,86,286,422.416,1.624,6,0.416,0.69,1.0,0.002244534301966966,0.017562195874169007,0.062589952710575,0.06303543280104174,0.03635802892193818
EOS-3-15456,Cn1nc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1ccccc1,DJNLHNCJMUDUFS-UHFFFAOYSA-N,3,1,0.452,95,266,433.422,3.487,5,0.408,0.71,0.998,0.45038037146186005,0.3669470906723323,0.4812555685011308,0.5237389486669864,0.4555804948255774
EOS-3-15457,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nn1,VGYVBHLOLHASNK-UHFFFAOYSA-N,3,1,0.473,37,482,463.864,3.156,5,0.374,0.7,1.0,0.7431807278459325,0.7962956617092728,0.3023182098553903,0.3625265574669317,0.5510802892193818
EOS-3-15458,Cc1nc(COc2cncc3nnc(-c4cc(-c5cccnc5C)cnn4)n23)ccc1F,QYYIDKGSUZJXBZ-UHFFFAOYSA-N,3,1,0.489,4,207,428.431,3.373,5,0.42,0.7,0.997,0.44329552463847577,0.4370588033719416,0.3953121787403194,0.32362415187444316,0.39982266465629496
EOS-3-15459,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1cccc(F)c1F,JDEHLQOSWVYCEB-UHFFFAOYSA-N,3,1,0.522,95,266,433.422,3.487,5,0.408,0.73,0.969,0.46427592351449526,0.39060037009115206,0.5566102391885409,0.5732043725584264,0.4961727263381537
EOS-3-15460,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5nnc(C)o5)c4)n23)c(F)c1,IBKTWRJUGHAKHR-UHFFFAOYSA-N,3,1,0.494,53,226,418.392,2.966,5,0.424,0.79,1.0,0.6973733808512097,0.6693167020766225,0.2512679048728668,0.2334744020286478,0.46285809745733675
EOS-3-15461,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)cn1,QLWKGHLMPWSITM-UHFFFAOYSA-N,3,1,0.385,46,128,435.81,2.805,5,0.41,0.63,1.0,0.5799808100884106,0.722226029744363,0.37298677266808306,0.4162154752929888,0.5228522719484614
EOS-3-15462,c1ncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccsc6)no5)n34)cc2)cn1,PZZUCWVDAQELSJ-UHFFFAOYSA-N,3,1,0.311,42,171,424.449,4.027,6,0.417,0.78,1.0,0.20633438420944417,0.19745905009937634,0.27696011239805357,0.3236327187992598,0.2510965663765335
EOS-3-15463,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnn(C(F)F)c5)c4)n23)cn1,VKOFSZFLYYJTTD-UHFFFAOYSA-N,3,1,0.349,82,336,432.394,3.211,5,0.456,0.59,1.0,0.11236378589541499,0.1478394215612364,0.6227897333972997,0.5406671921047221,0.35591503323966833
EOS-3-15464,CNC(=O)c1ccc(-c2nnc3cncc(CCc4nc(-c5nnc(C)o5)nn4C)n23)cc1,VSXAUGZJDHXFCP-UHFFFAOYSA-N,3,1,0.38,74,784,444.459,1.423,5,0.411,0.66,0.999,0.10236618463436364,0.037120485230621614,0.003195462956617093,0.0005311493386334042,0.03580332054005894
EOS-3-15465,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)nn1C,HFFLDAQRFHVFLO-UHFFFAOYSA-N,3,1,0.518,16,772,450.865,3.662,5,0.403,0.69,1.0,0.6578198889726544,0.6838976081145912,0.4277294222465904,0.4542269207045439,0.555918460009595
EOS-3-15466,Cn1cnnc1-c1ccc(F)c(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)n1,HAFIOUDMVVPABS-UHFFFAOYSA-N,3,1,0.269,10,871,457.408,2.508,6,0.396,0.65,0.302,0.01129977383318484,0.14047186621890206,0.13760194640531834,0.23940271400178192,0.1321940751147968
EOS-3-15467,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nccnn6)n5)n34)cn2)c1,KPYJBGAPEGAQBM-UHFFFAOYSA-N,3,1,0.349,32,541,447.437,3.906,6,0.4,0.68,1.0,0.23668699883489822,0.39060893701596877,0.45340449592214377,0.5270714824206703,0.4019429785484202
EOS-3-15468,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccncc6)nc5)n34)nc2)nc1,IOCRGZVLVQJEMP-UHFFFAOYSA-N,3,1,0.365,42,989,447.437,3.906,6,0.4,0.68,1.0,0.3238811596189432,0.3812538551161675,0.5125419779316017,0.5270800493454869,0.43618926050304985
EOS-3-15469,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccn(C)n5)n4)n23)c(Cl)c1,RVUSKRTXMOHHDC-UHFFFAOYSA-N,3,1,0.456,92,212,432.875,3.523,5,0.419,0.69,1.0,0.41324275238160507,0.521768555959153,0.38052566650675074,0.38163936673291754,0.4242940853951066
EOS-3-15470,NC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)s4)n23)c(F)c1,ZFPROVOXYKVPAT-UHFFFAOYSA-N,3,1,0.378,22,844,452.862,3.263,5,0.415,0.69,0.995,0.13187924062778425,0.28835412240422176,0.32074566513604275,0.4003409636077034,0.28532999794393804
EOS-3-15471,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)c(F)c2)n1C,BTZQSXTUJUTUKE-UHFFFAOYSA-N,3,1,0.329,25,791,466.484,3.497,6,0.392,0.72,1.0,0.22562709889658009,0.29379411966280583,0.30954012747584125,0.32060002741415944,0.28739034336234665
EOS-3-15472,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ccc2F)ncn1,IRJDJFADNAIASC-UHFFFAOYSA-N,3,1,0.558,35,426,433.472,3.774,5,0.402,0.74,1.0,0.8685919402371325,0.8049396888492907,0.4352854499348914,0.40034953053252004,0.6272916523884586
EOS-3-15473,Fc1ccnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)c1,RRHUZNBQRQEJGQ-UHFFFAOYSA-N,3,1,0.319,76,368,447.437,3.906,6,0.4,0.69,0.975,0.21736858337331233,0.3086320334452745,0.4741107532040299,0.5040178877390172,0.3760323144404085
EOS-3-15474,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4nncc(-c5ccccc5)n4)n23)c1,HUNYXHXCYKCTPL-UHFFFAOYSA-N,3,1,0.349,30,515,447.437,3.906,6,0.4,0.69,0.657,0.21445582893564527,0.3328164622027277,0.39149133027208555,0.5237475155918032,0.3656277842505654
EOS-3-15475,Cc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)cn2)nn1,XPLGYCBZTOIYKC-UHFFFAOYSA-N,3,1,0.265,70,151,422.412,2.792,6,0.421,0.71,0.971,0.004591871701733945,0.010246042080734699,0.12576245630868343,0.13771331642793502,0.06957842162977178
EOS-3-15476,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)[nH]n2)c1,NYLKQYMJYYUWEP-UHFFFAOYSA-N,3,1,0.453,87,963,436.838,3.385,5,0.434,0.69,0.992,0.5576725378658077,0.4896768555959153,0.5328712905215544,0.6007299019943801,0.5452376464944144
EOS-3-15477,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,KAHKUAWVVJJRBA-UHFFFAOYSA-N,3,1,0.441,18,531,446.421,3.246,5,0.392,0.67,0.997,0.6643564526077719,0.5725104516482763,0.4497035844013433,0.4510143238982935,0.5343962031389212
EOS-3-15478,CCn1ccnc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4cnn(C)c4)cn3)n12,MWXYAZDOLUOSNC-UHFFFAOYSA-N,3,1,0.25,86,967,448.494,3.532,6,0.397,0.71,1.0,0.042003632376122264,0.021245973545336166,0.14968131039681995,0.13103111507093415,0.08599050784730314
EOS-3-15479,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)cc1,MCGJIMQXUDCXHU-UHFFFAOYSA-N,3,1,0.32,30,118,451.881,4.149,6,0.397,0.73,0.881,0.04937975464327325,0.20224796107189363,0.36899458570351584,0.5308409293400042,0.28786580768967174
EOS-3-15480,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4Cl)n23)ccc1F,BVGFSACWEXLMKU-UHFFFAOYSA-N,3,1,0.489,4,911,449.877,4.267,5,0.398,0.79,1.0,0.5717993968884929,0.6549157014598039,0.7373209512713317,0.69989205674731,0.6659820265917347
EOS-3-15481,Cc1nnc(-c2nc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2F)o1,BWNXINDJRAQWQW-UHFFFAOYSA-N,3,1,0.394,52,916,470.468,3.167,6,0.401,0.68,1.0,0.22005003084092933,0.1713299294085395,0.06259851963539168,0.08996127749982866,0.13598493934617228
EOS-3-15482,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,COEHGUARWXPBTG-UHFFFAOYSA-N,3,1,0.493,8,311,420.383,3.25,5,0.431,0.78,1.0,0.3290984168322939,0.44110239188540884,0.5090638064560346,0.55049345486944,0.4574395175107943
EOS-3-15483,CC(C)(O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccs5)n4)n23)cn1,UJQXBEGECHXCCH-UHFFFAOYSA-N,3,1,0.447,7,85,445.508,3.511,5,0.423,0.73,1.0,0.5115225138784182,0.4411109588102255,0.39532074566513603,0.20113426084572683,0.38727211979987664
EOS-3-15484,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(C(F)F)nc5)n34)c2)cn1,LSKUWXCCOBAJPM-UHFFFAOYSA-N,3,1,0.467,92,711,448.437,3.981,5,0.372,0.77,0.99,0.28482454937975465,0.18418888355835789,0.6608954149818381,0.5040264546638339,0.4084838256459461
EOS-3-15485,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)n(C)n1,SUNZRQROKIXPOE-UHFFFAOYSA-N,3,1,0.461,55,45,433.863,2.918,5,0.416,0.7,1.0,0.4914930436570489,0.4944057980947159,0.1405918031663354,0.16282297306558838,0.32232840449592215
EOS-3-15486,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)cc1F,XYKLMQCBAJQRSS-UHFFFAOYSA-N,3,1,0.333,42,136,465.427,4.046,6,0.384,0.74,1.0,0.3640771708587485,0.5217771228839696,0.6342522788020012,0.6711671578370229,0.5478184325954356
EOS-3-15487,CNC(=O)c1ccc(-c2nnc3cncc(OCc4csc(-c5nccn5C)c4)n23)cc1F,ZCKTWEWVJFUCTJ-UHFFFAOYSA-N,3,1,0.463,16,788,463.498,3.331,5,0.415,0.72,0.999,0.6061870331025975,0.4587588239325612,0.3615670618874649,0.2422812007401823,0.41719852991570144
EOS-3-15488,N#CCc1nc(C(=O)NC2CC2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,HQIJMWYWBGSCNX-UHFFFAOYSA-N,3,1,0.29,52,582,473.5,3.269,6,0.397,0.73,0.862,0.169924953738606,0.09391919676512919,0.1406003700911521,0.19538585429374272,0.1499575937221575
EOS-3-15489,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(C(C)(C)N)nc5)n34)c2)cn1,FWYNWEBTCHOLGG-UHFFFAOYSA-N,3,1,0.366,82,336,444.93,4.101,5,0.448,0.71,0.999,0.14801076005756975,0.2625676787060517,0.7139332465218285,0.5763484339661435,0.4252150298128984
EOS-3-15490,COCn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C)cc5)n34)c2)n1,JDDVONIMZMBJLC-UHFFFAOYSA-N,3,1,0.523,89,250,428.456,2.936,5,0.39,0.74,1.0,0.45954698101569463,0.2523816050990336,0.1651874443149887,0.1422195188815023,0.25483388732780476
EOS-3-15491,Cn1cc(-c2cc(C#N)nc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cn1,DFAYMTCETGBTAG-UHFFFAOYSA-N,3,1,0.452,92,544,443.858,3.086,5,0.406,0.66,0.932,0.29315160030155574,0.38126242204098415,0.5532434377355905,0.5342591323418545,0.4404791481049962
EOS-3-15492,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(F)nc5)c4)n23)cc1,HABBMXYUZUELCK-UHFFFAOYSA-N,3,1,0.321,9,725,449.453,3.85,6,0.377,0.73,1.0,0.20634295113426085,0.22187478582687958,0.5497995339592899,0.5372489891028717,0.3788165650058255
EOS-3-15493,COCc1nccc(COc2cncc3nnc(-c4cccc(-c5ncc(F)cn5)c4)n23)n1,SHXRLLGNNXFLCX-UHFFFAOYSA-N,3,1,0.511,16,921,444.43,2.903,5,0.374,0.68,1.0,0.560371119183058,0.4718576519772463,0.25826708244808444,0.2043382907271606,0.3737085360838873
EOS-3-15494,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cc2)nc1,OAOAENXHHPBDMH-UHFFFAOYSA-N,3,1,0.315,32,126,428.459,4.372,6,0.411,0.75,1.0,0.1318878075526009,0.13653964772805155,0.4062007401823042,0.42891165787129054,0.27588496333356183
EOS-3-15496,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c2)n1C,IACLHCCQNWTLMS-UHFFFAOYSA-N,3,1,0.484,16,788,458.457,2.712,5,0.415,0.65,1.0,0.5718079638133096,0.31370365293674185,0.4166523884586389,0.2838136522513878,0.39649441436501953
EOS-3-15497,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6C)cn5)n34)nc2)nn1,AYRUPCJIIKQSAG-UHFFFAOYSA-N,3,1,0.286,70,934,458.489,3.779,6,0.388,0.71,1.0,0.08762250702487835,0.047880542800356383,0.20152833938729353,0.210078130354328,0.13677737989171407
EOS-3-15498,Cn1ccnc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c(F)cn1,UXKUHOAKBKUARS-UHFFFAOYSA-N,3,1,0.438,13,110,423.358,3.796,5,0.437,0.74,1.0,0.6732831882667397,0.6497669796449866,0.7883626893290384,0.7899561373449386,0.7253422486464258
EOS-3-15499,Clc1cnc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)nc1,NXDGEJPILXFYFX-UHFFFAOYSA-N,3,1,0.287,86,249,454.845,2.334,6,0.39,0.66,0.987,0.01982386402576931,0.09072373380851209,0.1009697758892468,0.16283153999040503,0.0935872284284833
EOS-3-15500,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,FDPSVPRXOYZPDL-UHFFFAOYSA-N,3,1,0.512,24,332,433.834,4.015,5,0.413,0.71,1.0,0.8864111438558016,0.8165050373517923,0.7063172503598109,0.743086491672949,0.7880799808100885
EOS-3-15501,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)cc6)o5)n34)nc2)n1C,CBSUVWCXYLFHIR-UHFFFAOYSA-N,3,1,0.298,70,572,453.441,3.751,6,0.397,0.73,0.795,0.22005859776574602,0.27291652388458637,0.26912137619080256,0.2838222191762045,0.26147967925433485
EOS-3-15502,Cn1cncc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,IWNVOZIEWJDZBJ-UHFFFAOYSA-N,3,1,0.394,18,367,432.875,3.257,5,0.38,0.75,0.998,0.4455743266397094,0.4234202590638065,0.3729953395928997,0.38803029264615174,0.4075050544856419
EOS-3-15503,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nc1,VULLXODEFCXHGV-UHFFFAOYSA-N,3,1,0.517,2,491,448.849,3.452,5,0.389,0.68,1.0,0.7811236378589541,0.7963042286340896,0.45682269892399424,0.5004369131656501,0.633671869645672
EOS-3-15504,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCc3ncnc(Cl)n3)n12,AXLZPGHMFXBWMM-UHFFFAOYSA-N,3,1,0.429,73,446,435.81,2.805,5,0.41,0.68,1.0,0.7521502981289836,0.7925690494140224,0.4534130628469605,0.4939860187786992,0.6230296072921664
EOS-3-15505,Cc1csc(COc2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)c(Cl)c4)n23)n1,KEMLHUXEXVRFAQ-UHFFFAOYSA-N,3,1,0.536,47,677,438.904,3.882,5,0.443,0.74,1.0,0.4989205674730999,0.6446867932287026,0.15271400178192035,0.1681087656774724,0.36610753204029883
EOS-3-15506,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)ccc1Cl,LYVKQCMRZHOTDC-UHFFFAOYSA-N,3,1,0.575,59,692,432.846,4.62,5,0.403,0.79,1.0,0.792217805496539,0.7222345966691797,0.8633832499485985,0.8767219518881503,0.8136394010006169
EOS-3-15507,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4cncc(-c5ccncn5)c4)n23)c1,YRTAPKVDNUBCMS-UHFFFAOYSA-N,3,1,0.354,94,515,447.437,3.906,6,0.4,0.7,1.0,0.2579586731546844,0.3477828798574464,0.604936262079364,0.6424165581522857,0.4632735933109451
EOS-3-15508,COc1cc(-c2nccc(C)n2)ccc1-c1nnc2cncc(OCc3ccnc(C)n3)n12,MMASZEUULVPDOW-UHFFFAOYSA-N,3,1,0.479,4,248,440.467,3.243,5,0.392,0.71,1.0,0.4065948187238709,0.1365482146528682,0.21226269618257831,0.09192310328284559,0.21183220821054075
EOS-3-15509,Cn1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nc2)n1,ASNDXOAWIWYJRR-UHFFFAOYSA-N,3,1,0.382,14,81,436.306,4.484,5,0.415,0.75,1.0,0.26608868480570214,0.4190339935576725,0.7544462339798506,0.8119817010485916,0.5628876533479542
EOS-3-15510,Cc1cc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)c2)n(C)n1,DSMAPVHBZCHSNR-UHFFFAOYSA-N,3,1,0.3,39,972,452.457,3.282,6,0.404,0.66,0.999,0.008489822493317799,0.09073230073332876,0.2051864162840107,0.24807244191624975,0.13812024535672676
EOS-3-15511,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5cc(-c6ccn(C)n6)ccc5F)n34)n2)cn1,BJXCLDFTUSYUJU-UHFFFAOYSA-N,3,1,0.306,98,151,452.457,3.188,6,0.405,0.66,1.0,0.10731786717839764,0.25239017202385033,0.36157562881228156,0.33660304297169485,0.2644716777465561
EOS-3-15512,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4cncnn4)cc3)n12,IEQHRQLQSWXIQS-UHFFFAOYSA-N,3,1,0.5,37,490,448.849,3.452,5,0.389,0.67,1.0,0.9212699609348228,0.8964430128161195,0.5856863820163114,0.6305685011308341,0.7584919642245219
EOS-3-15513,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncs6)n5)n34)cc2)nc1,NEPWOQLHEJDTBH-UHFFFAOYSA-N,3,1,0.329,38,865,435.476,3.829,6,0.411,0.69,1.0,0.08763107394969502,0.17133849633335618,0.1947262010828593,0.22437632787334658,0.1695180248098143
EOS-3-15514,OC(F)(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnncn5)cn4)n23)cc1,ODOMGDTYWMSYAQ-UHFFFAOYSA-N,3,1,0.472,51,946,449.381,2.054,5,0.41,0.63,1.0,0.8485710369405798,0.6497755465698033,0.8171561236378589,0.6799482557741073,0.7488627407305873
EOS-3-15515,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)nn1,JUGKOIGCVGFWPG-UHFFFAOYSA-N,3,1,0.321,99,112,455.421,1.373,6,0.382,0.65,0.982,0.19521451579740937,0.3036203824275238,0.035561304913988075,0.05712425467754095,0.14788011445411559
EOS-3-15516,N#Cc1cc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)ccc1F,CCJIHZIVSLRYMJ-UHFFFAOYSA-N,3,1,0.5,44,130,438.426,3.276,5,0.397,0.71,1.0,0.8485796038653964,0.7315554108697142,0.7114659721746281,0.6739942430265232,0.7413988074840655
EOS-3-15517,COc1cc(-c2nnc3cncc(OCc4ccc(C)nc4)n23)ccc1-c1cn(C)cn1,AOEXJIKFRYLVLI-UHFFFAOYSA-N,3,1,0.65,89,591,427.468,3.483,5,0.41,0.75,1.0,0.46890206291549585,0.1330100747035844,0.5053200603111507,0.28659790281680486,0.348457525186759
EOS-3-15518,Cn1cc(-c2ccc(COc3cncc4nnc(-c5cncc(Cl)c5)n34)nc2)cn1,UPXUDGPMCRNGBL-UHFFFAOYSA-N,3,1,0.549,92,36,418.848,3.214,5,0.432,0.75,1.0,0.3525289562058803,0.49441436501953256,0.5195154547323693,0.49096189431841547,0.46435516756904943
EOS-3-15519,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(Cl)c(F)c5)n34)cc2)nn1,KSHXNFFZJHNYJB-UHFFFAOYSA-N,3,1,0.347,96,478,418.823,3.806,5,0.411,0.82,1.0,0.3213196490987595,0.5037523130697005,0.6495785072990199,0.6915393050510589,0.5415474436296347
EOS-3-15520,Fc1cc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)ccc1-c1ncnc2[nH]cnc12,WDHYRHROWJMIRD-UHFFFAOYSA-N,3,1,0.386,13,284,459.832,4.104,6,0.391,0.75,1.0,0.7811322047837708,0.6889092591323418,0.6227983003221164,0.6858594338976081,0.6946747995339593
EOS-3-15521,N#Cc1cc(F)c(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)cn1,MKKSZTHGNIXNBR-UHFFFAOYSA-N,3,1,0.61,90,281,429.242,4.125,4,0.474,0.66,1.0,0.9325697347680076,0.9590672332259612,0.9319443492563909,0.9539527791104105,0.9443835240901925
EOS-3-15522,c1cc(-c2nn[nH]n2)nc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)c1,SKAVRBDUVWWIQG-UHFFFAOYSA-N,3,1,0.303,38,193,423.465,3.762,6,0.459,0.72,1.0,0.11810362552258241,0.17585326571174012,0.24409738880131587,0.3145860461928586,0.2131600815571243
EOS-3-15523,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)nc1,QGPAWKMYGZETQW-UHFFFAOYSA-N,3,1,0.3,33,776,452.453,3.151,6,0.436,0.62,1.0,0.13719930093893495,0.15572099239257076,0.5664279350284422,0.5072390514700843,0.34164681995750806
EOS-3-15524,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(C)n5C)c4)n23)nc1,PSPXPPKFVIDDBA-UHFFFAOYSA-N,3,1,0.384,33,168,455.482,2.229,5,0.413,0.65,1.0,0.3482026591734631,0.09074086765814543,0.1435216914536358,0.05283222534439038,0.15882436090740867
EOS-3-15525,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nn5)c4)n23)nc1,BCBXTNPEWRWUGU-UHFFFAOYSA-N,3,1,0.388,33,348,473.884,2.63,5,0.395,0.71,0.998,0.5396734288259887,0.4144421218559386,0.2335515043519978,0.17621307655404017,0.3409700328969913
EOS-3-15526,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)[nH]4)n23)cc1,WEAUVZOPQIHWME-UHFFFAOYSA-N,3,1,0.371,9,774,420.44,3.039,6,0.466,0.73,1.0,0.0809831402919608,0.05143581659927352,0.16205194983208826,0.20434685765197724,0.12470444109382495
EOS-3-15527,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cn2)n1,NZZNIGFORJBRIA-UHFFFAOYSA-N,3,1,0.3,32,664,435.426,3.635,6,0.39,0.71,0.947,0.012087930916318278,0.15173737235282023,0.45342162977177713,0.469801590021246,0.2717621307655404
EOS-3-15528,Cc1noc(-c2cc(-c3cncc4nnc(-c5cnc(-c6ccccc6)cn5)n34)ccn2)n1,ZTFCLADTTLTHTQ-UHFFFAOYSA-N,3,1,0.28,64,321,433.435,3.669,6,0.41,0.71,1.0,0.16464772805153863,0.0907494345829621,0.15564389006922075,0.18465149749845797,0.14892313755054487
EOS-3-15529,Cn1nc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1-c1ccccc1F,DELWPJHYYDPLOR-UHFFFAOYSA-N,3,1,0.395,22,243,422.374,3.726,5,0.439,0.74,0.792,0.16993352066342265,0.4278493591940237,0.595109999314646,0.6305770680556507,0.4558674868069358
EOS-3-15530,Cn1c(C#N)ccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,MMRFNMXTTZINJL-UHFFFAOYSA-N,3,1,0.349,30,39,443.474,3.916,6,0.409,0.72,1.0,0.04938832156808992,0.10007024878349667,0.5984596669179632,0.6007384689191968,0.33716417654718667
EOS-3-15531,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)ccc4Cl)n23)nc1,NUMUBXWEQQSEDB-UHFFFAOYSA-N,3,1,0.427,33,760,475.9,2.574,5,0.397,0.75,1.0,0.5320231649647043,0.5081471455006511,0.2512764717976835,0.20435542457679393,0.3739505517099582
EOS-3-15532,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ncccc4F)n23)c1,RLKLXZWGGBJLGL-UHFFFAOYSA-N,3,1,0.495,26,563,433.422,3.487,5,0.408,0.68,1.0,0.620048317455966,0.48502501542046467,0.6609039819066548,0.6424251250771024,0.6021006099650469
EOS-3-15533,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)O)cn5)n34)c2)s1,ZKJCMNZUBQFIQH-UHFFFAOYSA-N,3,1,0.29,96,523,415.438,3.378,5,0.474,0.77,1.0,0.06306970050030841,0.021254540470152836,0.14060893701596874,0.10414810499623055,0.08227032074566513
EOS-3-15534,Cc1nnc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)o1,UBOHJEGXNNTINC-UHFFFAOYSA-N,3,1,0.62,34,483,437.822,3.916,5,0.407,0.72,1.0,0.9129514769378384,0.8986532794188198,0.47411932012884656,0.5372575560276883,0.7057454081282982
EOS-3-15535,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5F)cc(F)c4F)n23)cc1,FVSOCSZSRXVSGD-UHFFFAOYSA-N,3,1,0.36,62,3,460.419,4.297,5,0.405,0.75,1.0,0.32910698375711056,0.39521794256733606,0.9218096771982729,0.8837810979370845,0.632478925364951
EOS-3-15536,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4F)n23)cn1,DATJUMQCSAYHEK-UHFFFAOYSA-N,3,1,0.321,98,314,452.457,3.188,6,0.405,0.67,1.0,0.2119457199643616,0.28836268932903847,0.3578404495922144,0.33974710437941197,0.2994739908162566
EOS-3-15537,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)cn1,GMLZVGACYDVUHA-UHFFFAOYSA-N,3,1,0.31,98,369,452.457,3.188,6,0.405,0.67,1.0,0.21446439586046193,0.247498457953533,0.30593345212802414,0.3019155643890069,0.2674529675827565
EOS-3-15538,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)ccn1,CNZCQRMAXZTRNT-UHFFFAOYSA-N,3,1,0.529,4,675,429.871,4.184,5,0.413,0.74,1.0,0.8460866287437462,0.9214841340552395,0.6373877732849017,0.6219758755397162,0.756733602905901
EOS-3-15539,Cc1cc(-c2cc(-c3nnc4cncc(OCc5scnc5C)n34)ccc2F)ncn1,LREUTRFMUJKFGA-UHFFFAOYSA-N,3,1,0.5,4,253,433.472,4.04,5,0.413,0.75,1.0,0.7492461106161332,0.7268264683709136,0.3953293125899527,0.3397556713042286,0.552789390720307
EOS-3-15540,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ccn3)n12,VIZABKYFNBWBQZ-UHFFFAOYSA-N,3,1,0.534,35,490,447.861,4.057,5,0.387,0.74,1.0,0.9398259200877254,0.9490182304160099,0.6312281543417175,0.6740028099513399,0.7985187786991982
EOS-3-15541,Fc1c(-c2ccccn2)ccc(-c2nnc3cncc(OCCc4cnccn4)n23)c1Cl,DABGVUHGQXYPCR-UHFFFAOYSA-N,3,1,0.489,35,846,447.861,4.057,5,0.387,0.74,1.0,0.8295010622986773,0.869791309711466,0.6495870742238367,0.6858680008224248,0.7586868617641013
EOS-3-15542,FC(F)c1cnc(COc2cncc3nnc(-c4cnc(-c5cccnc5)cn4)n23)cn1,QKFLWBYDEINSBP-UHFFFAOYSA-N,3,1,0.448,7,535,433.382,2.95,5,0.398,0.67,1.0,0.5039836200397505,0.46759989034336236,0.467479953395929,0.3880388595709684,0.4567755808375026
EOS-3-15543,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cn1,ZEGCJGYRLDDDDS-UHFFFAOYSA-N,3,1,0.289,98,727,438.48,3.167,6,0.412,0.68,1.0,0.054280035638407234,0.03712905215543828,0.1463659104927695,0.17084161469398945,0.10215415324515112
EOS-3-15544,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cn1)N1CCOCC1,DYFFOLIDKNUBHK-UHFFFAOYSA-N,3,1,0.43,52,229,482.479,2.922,6,0.385,0.83,1.0,0.10732643410321431,0.023507641696936466,0.016671235693235555,0.058554931121924475,0.0515150606538277
EOS-3-15545,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)nc2)n1,WCBBLSBBXIROJM-UHFFFAOYSA-N,3,1,0.415,20,279,434.851,2.047,5,0.395,0.7,0.961,0.4361764101158248,0.467608457268179,0.05668734151189089,0.0717736961140429,0.25806147625248443
EOS-3-15546,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)cn1,VGMMHYHXUBJKFV-UHFFFAOYSA-N,3,1,0.296,42,327,430.435,3.162,6,0.415,0.66,1.0,0.16465629497635528,0.10342848331163046,0.3730039065177164,0.3816479336577342,0.2556841546158591
EOS-3-15547,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cn1,AOLQFQJJVQCRML-UHFFFAOYSA-N,3,1,0.309,86,790,430.435,3.162,6,0.415,0.67,1.0,0.12048523062161606,0.11589335891988212,0.35784901651703105,0.3493934617229799,0.23590526694537728
EOS-3-15548,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccc(C)nc5C)n34)ccn2)n1,XTPLSUJSRJPCAD-UHFFFAOYSA-N,3,1,0.494,75,43,424.468,3.543,5,0.422,0.73,1.0,0.4433040915632924,0.197467617024193,0.20519498320882737,0.10844013432938113,0.23860170653142349
EOS-3-15549,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nc[nH]n5)c4)n23)nc1,NSAVNXOJNQNJPZ-UHFFFAOYSA-N,3,1,0.321,30,737,434.438,4.445,6,0.44,0.74,1.0,0.2008429854019601,0.3236498526488932,0.6988297580700432,0.7483037488862998,0.4929065862517991
EOS-3-15550,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)n2)cn1,OREVWSHPKCOHDV-UHFFFAOYSA-N,3,1,0.303,98,167,435.455,2.444,6,0.414,0.64,1.0,0.042012199300938934,0.023516208621753135,0.18463436364882463,0.1655044205332054,0.10391679802618052
EOS-3-15551,CCn1c(C)nc(-c2cnc(C)nn2)c1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,SQJURAGBGWPUHE-UHFFFAOYSA-N,3,1,0.315,74,333,454.498,2.503,5,0.429,0.65,0.999,0.07873003906517717,0.07051435816599273,0.016679802618052224,0.006442327462134192,0.04309163182783907
EOS-3-15552,OC(F)(CF)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cn4)n23)cc1,VRFKFZMARJGNMR-UHFFFAOYSA-N,3,1,0.329,96,121,431.406,3.394,5,0.455,0.63,1.0,0.2738674525392365,0.3858799945171681,0.9305136728120074,0.8809625796724008,0.6178059248852033
EOS-3-15553,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)nc1,IAFAOJGXUVYYHZ-UHFFFAOYSA-N,3,1,0.568,73,511,436.357,3.035,5,0.414,0.67,1.0,0.7979233774244398,0.7222431635939963,0.7165461585909122,0.7352734562401481,0.742996538962374
EOS-3-15554,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4F)n23)ccn1,LWYLFKVKEMLHHH-UHFFFAOYSA-N,3,1,0.581,37,545,429.459,3.656,5,0.41,0.79,1.0,0.6428363374683024,0.64978411349462,0.6467085874854362,0.5406757590295388,0.6200011993694743
EOS-3-15555,CCOc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)n4)n23)nc1,ANZHBTBPCGNJSJ-UHFFFAOYSA-N,3,1,0.432,46,128,444.43,3.155,5,0.373,0.72,1.0,0.4890000685353985,0.4850335823452813,0.2914896168871222,0.22438489479816326,0.37247704064149134
EOS-3-15556,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ncccn6)[nH]5)n34)cc2)cc1,QEDTZIINOQTRBC-UHFFFAOYSA-N,3,1,0.443,12,285,446.474,4.217,6,0.408,0.75,0.999,0.49383181413199917,0.4190425604824892,0.42033616612980607,0.4289202247961072,0.44053269138510043
EOS-3-15557,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)nc1,FNRXHNLKGRIFCW-UHFFFAOYSA-N,3,1,0.391,73,65,437.345,2.43,5,0.409,0.66,1.0,0.6885751490644918,0.601946405318347,0.5629154958536083,0.5796295661709273,0.6082666541018436
EOS-3-15558,Cc1ncncc1-c1cncc(-c2nnc3cncc(OCc4ccnc(CO)c4)n23)c1,MHXHCMLQDARCIT-UHFFFAOYSA-N,3,1,0.426,2,419,426.44,2.418,5,0.436,0.72,0.999,0.3826159961620177,0.24750702487834966,0.41666095538345554,0.28975053114933863,0.3341336268932904
EOS-3-15560,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccc5Cl)cn4)n23)nc1,QCGDTSKQQXHELL-UHFFFAOYSA-N,3,1,0.446,33,128,459.857,2.37,5,0.404,0.67,1.0,0.4616887122198616,0.36202110890274825,0.16206051675690494,0.16284010691522172,0.2871526111986841
EOS-3-15561,Cn1cc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5ccn(C)n5)n34)c2)cn1,XJZLZASDUGVOQR-UHFFFAOYSA-N,3,1,0.225,86,967,435.455,2.444,6,0.414,0.65,0.93,0.011308340758001507,0.00660509903365088,0.1257710232335001,0.12021965595229936,0.06597602974436295
EOS-3-15562,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)nc1,CNFUCVQRZWUZTI-UHFFFAOYSA-N,3,1,0.457,75,99,446.858,2.763,5,0.419,0.69,1.0,0.5039921869645672,0.5217856898087863,0.44614831060242616,0.4032537180453704,0.4687949763552875
EOS-3-15563,c1ccc(-c2noc(-c3cccc(-c4nnc5cncc(Cn6ccnc6)n45)c3)n2)cc1,ADCWDJKKHXEJRU-UHFFFAOYSA-N,3,1,0.364,30,553,420.436,3.753,6,0.419,0.79,1.0,0.1450980056199027,0.09392776368994586,0.2728051538619697,0.2866064697416216,0.19960934822835996
EOS-3-15564,Fc1cccnc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccn1,KNPGZIRUCODJNK-UHFFFAOYSA-N,3,1,0.553,24,912,433.834,4.015,5,0.386,0.77,1.0,0.6732917551915565,0.6889178260571586,0.6407117401137687,0.679956822698924,0.670719536015352
EOS-3-15565,Cc1nc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc(-c2cnccn2)n1,MCQVZMABPKISSQ-UHFFFAOYSA-N,3,1,0.438,89,398,479.504,2.818,6,0.374,0.83,0.999,0.40660338564868753,0.13655678157768486,0.06453464464395861,0.057132821602357615,0.16620690836817217
EOS-3-15566,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)nc1,QNIIVLYLEWOPHZ-UHFFFAOYSA-N,3,1,0.423,65,65,433.382,2.333,5,0.398,0.67,1.0,0.6144369817010485,0.54951682544034,0.2297991912822973,0.2779538756767871,0.4179267185251183
EOS-3-15567,c1cnc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cn1,XHKKIHYMGDDCBH-UHFFFAOYSA-N,3,1,0.329,94,136,431.423,2.557,6,0.41,0.65,0.999,0.12049379754643273,0.12625933794805017,0.15889932149955452,0.18466006442327462,0.147578130354328
EOS-3-15568,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cc5)n34)nc2)nc1,ILRDPCNBUDDEFK-UHFFFAOYSA-N,3,1,0.269,42,327,429.447,3.767,6,0.417,0.69,1.0,0.13438078267425124,0.10007881570831334,0.3805342334315674,0.38804742649578505,0.25076031457747927
EOS-3-15569,CCOc1cnc(-c2cncc3nnc(-c4cccnc4-c4ccc(Cl)cc4)n23)nc1,KVNSFIMVGXTRAL-UHFFFAOYSA-N,3,1,0.337,96,856,429.871,4.362,5,0.409,0.78,1.0,0.4642844904393119,0.5263775615105202,0.4391319991775752,0.5040350215886505,0.48345726817901447
EOS-3-15570,Cn1ccnc1COc1cncc2nnc(-c3ccc(-c4cncc(Cl)c4)nn3)n12,JPIPPGIZBBZTEB-UHFFFAOYSA-N,3,1,0.366,53,411,419.836,2.609,5,0.427,0.73,0.996,0.44094818723870877,0.4278579261188404,0.17511651017750668,0.21611781235007882,0.3150101089712837
EOS-3-15571,Cn1nc(-c2ccnnc2)nc1COc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,GUVRDHIRCINHDL-UHFFFAOYSA-N,3,1,0.549,36,996,469.387,2.854,5,0.37,0.76,1.0,0.6001473511068467,0.6594818723870879,0.6373963402097184,0.5270886162703036,0.6060285449934891
EOS-3-15572,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1F,ZCLVZGXCYLKSNC-UHFFFAOYSA-N,3,1,0.461,51,196,450.865,3.836,5,0.388,0.73,1.0,0.6885837159893085,0.6497926804194366,0.5053286272359674,0.5142296621204853,0.5894836714412994
EOS-3-15573,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnc(C)cn5)n4)n23)cn1,XLINEMSSDAILNB-UHFFFAOYSA-N,3,1,0.375,85,290,428.887,3.899,5,0.428,0.68,1.0,0.29316016722637245,0.36202967582756496,0.3059420190528408,0.3206085943389761,0.32043511411143855
EOS-3-15574,Cn1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)n1,HPHVMZSQXUNWEM-UHFFFAOYSA-N,3,1,0.582,34,258,454.828,3.492,5,0.401,0.71,1.0,0.8369799876636282,0.9119405798094716,0.7565365636351176,0.8011102734562402,0.8266418511411144
EOS-3-15575,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5nc(COC)n(C)n5)noc4C)n23)cc1,QWZTWGMCTAUMPX-UHFFFAOYSA-N,3,1,0.304,74,333,459.47,2.056,5,0.404,0.67,0.676,0.172606401206223,0.0969775889246796,0.011908025495168255,0.0037437461448838324,0.07130894044273867
EOS-3-15576,Cc1cnc(-c2ncncc2-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)nc1,UMKMJLYTQRDHTA-UHFFFAOYSA-N,3,1,0.605,73,294,448.849,3.718,5,0.4,0.7,1.0,0.8750171338496333,0.7963127955589062,0.5396220272770886,0.5827564937290111,0.6984271126036599
EOS-3-15577,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cn1,COICFMJWHIMZOB-UHFFFAOYSA-N,3,1,0.287,39,972,465.456,3.123,6,0.377,0.73,1.0,0.1672606401206223,0.21168871221986155,0.07072853128640944,0.15219141936810363,0.15046732574874924
EOS-3-15578,NC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5cc(Cl)ccc5F)nn4)n23)cc1,NKEYNYXJFCPBDZ-UHFFFAOYSA-N,3,1,0.568,43,612,464.848,2.842,5,0.409,0.71,1.0,0.35958810225481463,0.38127098896580086,0.49473990816256597,0.5004454800904667,0.43401111986841207
EOS-3-15579,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)c2)nn1,YVMDGBSMFZEISM-UHFFFAOYSA-N,3,1,0.261,99,719,436.443,1.839,6,0.406,0.67,0.998,0.044942087588239324,0.031055102460420807,0.08916455349187856,0.08113734493866082,0.06157477211979988
EOS-3-15580,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cnc(F)cc5F)ncn4)n23)c1,MYQRNKUOXXMCMJ-UHFFFAOYSA-N,3,1,0.467,44,488,435.369,3.64,5,0.389,0.73,0.992,0.795104859159756,0.717685559591529,0.8604190939620314,0.8629206360084984,0.8090325371804536
EOS-3-15581,Cc1nccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,KGEIBBNZQQAEDV-UHFFFAOYSA-N,3,1,0.479,89,656,478.516,3.423,6,0.378,0.83,1.0,0.4154787197587554,0.09393633061476253,0.18778699198135837,0.15478719758755397,0.2129973099856076
EOS-3-15582,Cn1cnnc1-c1ccc(F)c(-c2nnc3cncc(-c4ccc(-c5cnco5)s4)n23)c1,QYLPBBIVBDVWJD-UHFFFAOYSA-N,3,1,0.33,76,314,444.455,4.109,6,0.403,0.76,1.0,0.2848331163045713,0.41445068878075525,0.3989788225618532,0.42892879172092385,0.3817978548420259
EOS-3-15583,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)cc1,DZVNGUFKXXODMO-UHFFFAOYSA-N,3,1,0.37,69,50,446.449,4.511,6,0.393,0.77,1.0,0.2958073469947228,0.4190511274073059,0.7039613460352272,0.7483123158111165,0.541783034062093
EOS-3-15584,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)ccc1-c1ccncc1,RUAPMSNTLIHUHI-UHFFFAOYSA-N,3,1,0.347,42,818,446.449,4.511,6,0.393,0.77,1.0,0.357360701802481,0.4370673702967583,0.6961140429031595,0.7082362415187444,0.5496945891302858
EOS-3-15585,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)nc2)nc1,DZTNXRSOZKYPQM-UHFFFAOYSA-N,3,1,0.286,10,543,448.425,3.301,6,0.4,0.67,1.0,0.26866732917551917,0.252398738948667,0.20520355013364402,0.29573024467137277,0.2554999657323007
EOS-3-15586,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)cnn4)n23)n1,WZUSXMHVAIPCTA-UHFFFAOYSA-N,3,1,0.429,53,670,435.81,2.805,5,0.384,0.68,0.987,0.4766208621753136,0.5037608799945171,0.37691899115893357,0.4380868343499417,0.4488468919196765
EOS-3-15587,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cncc(-c5ccnnc5)c4)n23)cc1,TVRIZAKHNFEQMK-UHFFFAOYSA-N,3,1,0.309,64,449,447.437,3.906,6,0.4,0.71,1.0,0.2686758961003358,0.2938026865876225,0.5629240627784251,0.6335583578918511,0.43974025083955864
EOS-3-15588,Fc1cc(-c2nnc3cncc(OCc4nc(C(F)(F)F)no4)n23)ccc1C(F)F,NPPHPGXZZHCXBW-UHFFFAOYSA-N,3,1,0.494,68,900,430.268,3.849,4,0.444,0.69,1.0,0.8140034953053252,0.8049482557741073,0.9707696525255294,0.9234802275375231,0.8783004077856212
EOS-3-15589,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cc1=O,ZRSXKJMOCYOTRA-UHFFFAOYSA-N,3,1,0.5,15,490,443.442,2.708,5,0.398,0.68,1.0,0.5396819957508053,0.3858885614419848,0.42773798917140704,0.4032622849701871,0.4391427078335961
EOS-3-15590,Cc1cc(C)c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cn5)n34)cc2)nn1,FXADDCOEYRVEFV-UHFFFAOYSA-N,3,1,0.295,98,193,460.505,3.723,6,0.391,0.7,1.0,0.08517236652731136,0.05922315125762456,0.18464293057364128,0.15479576451237065,0.12095855321773696
EOS-3-15591,CCOc1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)c4)n23)cn1,LJYCIMAAOSOXGH-UHFFFAOYSA-N,3,1,0.36,82,81,427.443,3.772,5,0.407,0.74,0.999,0.4201648276334727,0.5537745870742239,0.6686913165650058,0.5887619080254952,0.5578481598245494
EOS-3-15592,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccn(C)n6)nn5)n34)cc2)nn1,VPTVCQJLZCHZTD-UHFFFAOYSA-N,3,1,0.316,98,63,435.455,2.444,6,0.414,0.63,1.0,0.03468747858268796,0.04421389897882256,0.13761051333013502,0.1288636830923172,0.08634389349599068
EOS-3-15593,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1,OCCSOWXIZGIXIP-UHFFFAOYSA-N,3,1,0.36,9,152,436.41,4.104,6,0.406,0.72,1.0,0.31657357275032555,0.42786649304365704,0.6049448290041807,0.6510434514426702,0.5001070865602084
EOS-3-15594,N#Cc1cc(-c2cncnn2)cc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)n1,GAJIMPWSHXVVQZ-UHFFFAOYSA-N,3,1,0.424,92,205,451.41,0.983,5,0.388,0.66,1.0,0.4714207388115962,0.2831111644164211,0.13761908025495168,0.08996984442464533,0.2455302069769036
EOS-3-15595,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3ccc(-c4ncon4)s3)n12,KSFCJUGXRCYGFC-UHFFFAOYSA-N,3,1,0.346,76,653,432.4,3.759,6,0.41,0.72,1.0,0.38488623123843463,0.45453532999794394,0.30595058597765745,0.35253752313069703,0.3744774175861833
EOS-3-15596,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cn2)cn1,FSRQBVOHPOBHCE-UHFFFAOYSA-N,3,1,0.293,86,151,453.857,2.939,6,0.37,0.71,0.993,0.009235144952367899,0.14048043314371872,0.34645500651086286,0.41307141388527174,0.22731049962305533
EOS-3-15597,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5ccccc5)n4)n23)ccc1Cl,SKJJHWCAMQBCQG-UHFFFAOYSA-N,3,1,0.573,1,700,432.846,4.62,5,0.403,0.81,1.0,0.9098845178534714,0.9634020971831951,0.8187238708793092,0.8562127338770475,0.8870558049482558
EOS-3-15598,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,WCYOUOXESLFBAX-UHFFFAOYSA-N,3,1,0.483,16,820,433.834,4.015,5,0.413,0.72,1.0,0.8789836200397505,0.8641542731820986,0.7970324172435063,0.8202659173463094,0.8401090569529162
EOS-3-15599,COc1ccc(F)cc1-c1nnc2cncc(-c3ccnnc3-c3ccc(C)c(F)c3)n12,ILQNLCFDTAKSDK-UHFFFAOYSA-N,3,1,0.36,96,46,430.418,4.511,5,0.418,0.74,1.0,0.36875471180864916,0.48968542252073194,0.8718302378178329,0.8403467891165787,0.6426542903159481
EOS-3-15600,CC#Cc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)cn1,URXHRRVJPYOSBB-UHFFFAOYSA-N,3,1,0.314,52,453,473.5,2.969,6,0.387,0.76,1.0,0.15107771914193682,0.05144438352409019,0.12016825440339936,0.11324617915153176,0.10898413405523955
EOS-3-15601,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cc(F)ccc5F)cn4)n23)cc1Cl,KNGHUMWGODWSAZ-UHFFFAOYSA-N,3,1,0.373,45,837,477.862,4.207,5,0.416,0.81,1.0,0.34590672332259614,0.45876739085737783,0.82442944280721,0.8403553560413953,0.6173647282571448
EOS-3-15602,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,GFVVBWYIRYETSQ-UHFFFAOYSA-N,3,1,0.511,92,728,436.386,2.288,5,0.394,0.69,1.0,0.47662942910013023,0.42342882598862314,0.302326776780207,0.2541035569871839,0.3641221472140361
EOS-3-15603,Cc1nnc(-c2cnc(-c3nnc4cncc(Cc5ccc(C(F)F)nc5)n34)c(F)c2)o1,CNXJNHNHMIYXMR-UHFFFAOYSA-N,3,1,0.28,85,60,438.373,3.607,5,0.41,0.68,0.574,0.31133918168734154,0.4234373929134398,0.5396305942019053,0.48508498389418137,0.43987303817421697
EOS-3-15605,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nn1,BBLORAUODSDINL-UHFFFAOYSA-N,3,1,0.363,45,730,426.242,4.485,5,0.425,0.76,1.0,0.08763964087451169,0.4545438969227606,0.8633918168734152,0.9410852580357755,0.5866651531766157
EOS-3-15606,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5CC(=O)O)n34)nc2)n1,QZFPPSOEGHNOQL-UHFFFAOYSA-N,3,1,0.291,50,542,463.408,2.609,5,0.403,0.66,0.96,0.1782777054348571,0.19747618394900968,0.36524227263381537,0.2957388115961894,0.2591837434034679
EOS-3-15607,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)cc1-c1cccnc1,OIVFTCHEKQJESG-UHFFFAOYSA-N,3,1,0.495,95,998,433.422,3.487,5,0.408,0.72,1.0,0.4766379960249469,0.40039236515660337,0.6495956411486533,0.6565605510246042,0.5457966383387018
EOS-3-15608,FC(F)(F)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nn1,NKGHLPJMKDOAQI-UHFFFAOYSA-N,3,1,0.4,96,121,419.37,4.329,5,0.433,0.81,1.0,0.24210129531903227,0.40965321088342127,0.9227434720032897,0.8767305188129669,0.6128071242546775
EOS-3-15609,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)nc1,XXEWGOIKKXPJEO-UHFFFAOYSA-N,3,1,0.305,70,968,435.455,2.444,6,0.414,0.66,1.0,0.04495065451305599,0.06313823589884175,0.15272256870673703,0.1310396819957508,0.09796278527859639
EOS-3-15610,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(C)nn5)s4)n23)cc1,JTZUKBMUEUKDRD-UHFFFAOYSA-N,3,1,0.511,89,707,459.495,2.347,5,0.406,0.67,1.0,0.402311356315537,0.20683983277362758,0.04415393050510589,0.016808306490302242,0.16752835652114317
EOS-3-15611,c1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnn5)nc4)n23)nc1,MKZHAPKLXLTHFN-UHFFFAOYSA-N,3,1,0.247,86,114,431.423,2.557,6,0.41,0.67,0.999,0.08099170721677747,0.06685628126927558,0.06854396545815913,0.09193167020766226,0.0770809060379686
EOS-3-15612,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)nc1,NFSIJFAGSKMKDK-UHFFFAOYSA-N,3,1,0.37,51,726,452.265,3.319,5,0.396,0.66,0.911,0.47142930573641284,0.512507710232335,0.2987029675827565,0.4130799808100884,0.4239299910903982
EOS-3-15613,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)cnc5F)nn4)n23)cc1,BEDSGBZICPNXEK-UHFFFAOYSA-N,3,1,0.494,72,534,431.406,3.809,5,0.391,0.74,1.0,0.8460951956685628,0.7268350352957302,0.6961226098279761,0.6625145637721883,0.7328918511411143
EOS-3-15614,Fc1cc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)ccn1,PKKWIOMWIXNDDH-UHFFFAOYSA-N,3,1,0.279,70,543,448.425,3.301,6,0.374,0.7,0.911,0.19522308272222602,0.2369611404290316,0.30233534370502363,0.3785724076485505,0.27827299362620794
EOS-3-15615,O=C(O)c1ccc(-c2nnc3cncc(CCc4cc(Cl)c(F)cc4F)n23)nc1,HFTFSUNHQPLVJR-UHFFFAOYSA-N,3,1,0.358,90,244,415.787,3.601,4,0.5,0.78,0.998,0.35040435885134674,0.22188335275169624,0.7993883215680899,0.7922349393461723,0.5409777431293263
EOS-3-15616,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccncc5F)n4)n23)cc1,MCMJORLGKIFDSN-UHFFFAOYSA-N,3,1,0.31,10,507,455.392,2.564,6,0.394,0.65,0.885,0.037488862997738334,0.1928586114728257,0.23356007127681447,0.37858097457336715,0.2106221300801864
EOS-3-15617,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cc1,XADNVNCEXSOVPJ-UHFFFAOYSA-N,3,1,0.321,9,498,449.453,3.85,6,0.403,0.7,1.0,0.15108628606675348,0.23696970735384826,0.5090723733808512,0.5827650606538277,0.36997335686382016
EOS-3-15618,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)c1,JEQDGDVOHXLKAK-UHFFFAOYSA-N,3,1,0.568,59,89,434.381,4.245,5,0.412,0.72,1.0,0.9582191076691111,0.9348142690699747,0.9457370982112261,0.9442807209923926,0.9457627989856761
EOS-3-15619,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)cn1,CKUIVXLRIDMAEY-UHFFFAOYSA-N,3,1,0.306,98,63,432.451,3.106,6,0.418,0.65,1.0,0.07071996436159277,0.05145295044890686,0.3132753066959084,0.30831505722705776,0.18594081968336645
EOS-3-15620,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,DSFXLCXHTXGSAX-UHFFFAOYSA-N,3,1,0.329,42,327,432.451,3.106,6,0.418,0.65,1.0,0.08764820779932836,0.04064149133027208,0.24410595572613256,0.25411212391200055,0.1566269446919334
EOS-3-15621,CCn1nncc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,RGQJQTQARZABTC-UHFFFAOYSA-N,3,1,0.291,33,432,470.472,2.558,6,0.401,0.71,1.0,0.07269892399424302,0.18012816119525735,0.03688061133575492,0.06986327187992598,0.08989274210129532
EOS-3-15622,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cnn1,IAXJFXBUJBUCRV-UHFFFAOYSA-N,3,1,0.281,99,112,425.376,0.884,6,0.392,0.71,0.994,0.11811219244739908,0.07412103351380989,0.012370639435268315,0.014443835240901925,0.0547619251593448
EOS-3-15623,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4cnccn4)n23)cn1,NTWYNBLRFGMHPA-UHFFFAOYSA-N,3,1,0.289,86,790,433.439,2.501,6,0.412,0.65,1.0,0.09494722774312933,0.04065005825508875,0.09138338701939552,0.09995887876088,0.0817348879446234
EOS-3-15624,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c2)nn1,NVURNRFZODRBKU-UHFFFAOYSA-N,3,1,0.522,19,785,444.886,3.622,5,0.391,0.68,1.0,0.6284610376259337,0.6643221849085053,0.38054280035638405,0.43215852237680763,0.5263711363169077
EOS-3-15625,Cn1ncnc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,VMFVWLNBPRJTMN-UHFFFAOYSA-N,3,1,0.398,20,279,434.851,2.047,5,0.395,0.68,0.968,0.422529298882873,0.352486121581797,0.058572064971557807,0.07940682612569393,0.22824857789048042
EOS-3-15626,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)c1,ZKNFMDUSYINSPO-UHFFFAOYSA-N,3,1,0.32,30,158,451.881,4.149,6,0.397,0.76,0.999,0.014460969090535262,0.1928671783976424,0.32442087588239327,0.5142382290453019,0.2614968131039682
EOS-3-15627,Cc1noc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)nn2)n1,XOWGUAYUXOCOQV-UHFFFAOYSA-N,3,1,0.318,10,77,452.413,3.203,6,0.392,0.71,1.0,0.24210986224384895,0.2938112535124392,0.13139949283805086,0.21612637927489547,0.22086174696730865
EOS-3-15629,Cn1nccc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)nn1,HXOOQXLBROQPTK-UHFFFAOYSA-N,3,1,0.282,99,14,434.427,1.896,6,0.404,0.64,1.0,0.08100027414159414,0.06686484819409225,0.05111027345624015,0.060114111438558014,0.06477237680762113
EOS-3-15630,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(C#N)cn5)c4)n23)c(F)c1,HZDKPWZNCXIQPI-UHFFFAOYSA-N,3,1,0.483,97,214,437.438,4.147,5,0.407,0.74,1.0,0.87502570077445,0.872472757179083,0.8587828113220478,0.8164879035021588,0.855692293194435
EOS-3-15631,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)nn2C)ccc1F,GGTRKCIZRWPOEN-UHFFFAOYSA-N,3,1,0.463,95,493,430.447,3.051,5,0.408,0.71,1.0,0.4043845521211706,0.2986858337331232,0.39898738948666984,0.36574772119799875,0.36695137413474055
EOS-3-15632,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)cnn4)n23)nc1,WBTYFKDTBWUEGM-UHFFFAOYSA-N,3,1,0.457,53,785,431.847,2.708,5,0.4,0.64,0.998,0.5217000205606196,0.5537831539990405,0.22246590363922966,0.292680419436639,0.3976573744088822
EOS-3-15633,OCc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(F)cn1,MVONTFBSFPSEHM-UHFFFAOYSA-N,3,1,0.57,35,393,442.454,3.501,5,0.412,0.74,1.0,0.8827273661846343,0.7671167157837023,0.7612483722842849,0.7052635186073607,0.7790889932149955
EOS-3-15634,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnnc5)nc4)n23)c(F)c1,NIQADUUPPBNMSX-UHFFFAOYSA-N,3,1,0.317,98,314,450.441,3.245,6,0.402,0.66,1.0,0.22858268795833048,0.2729250908094031,0.4534301966965938,0.45423548762936056,0.35229336577342196
EOS-3-15635,CC(C)(O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cnnc(F)c5)c4)n23)cn1,WTWSNRJAEARXHC-UHFFFAOYSA-N,3,1,0.341,85,290,442.458,2.996,5,0.442,0.62,0.754,0.3459152902474128,0.3765506133918169,0.634260845726818,0.43809540127475843,0.4487055376602015
EOS-3-15636,Cc1ccc(-c2nnc3cncc(OCCc4cc(-c5cccc(F)c5)ccn4)n23)cn1,OBDRCJYIKDYSDN-UHFFFAOYSA-N,3,1,0.544,11,275,426.455,4.317,5,0.402,0.82,1.0,0.7951134260845727,0.8781954629566171,0.6851569460626413,0.6593876362141046,0.754463367829484
EOS-3-15637,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5nncn5C)cn4)n23)cc1,RZUDIGJIUGMFAK-UHFFFAOYSA-N,3,1,0.372,74,333,412.417,1.403,5,0.469,0.81,1.0,0.1480193269823864,0.06314680282365842,0.05493112192447399,0.03112363785895415,0.07430522239736824
EOS-3-15638,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cn6)nc5)n34)nc2)nn1,WCDLEDRXKNZJDK-UHFFFAOYSA-N,3,1,0.289,86,812,451.429,2.64,6,0.398,0.66,0.991,0.11535364265643205,0.18013672812007403,0.2052121170584607,0.22758892467959702,0.18207285312864097
EOS-3-15639,Cn1nccc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)nc1,GYCQZYIHVRWIME-UHFFFAOYSA-N,3,1,0.265,86,459,451.429,2.64,6,0.398,0.66,1.0,0.15655198409978754,0.2022565279967103,0.1620690836817216,0.1681173326022891,0.17224873209512714
EOS-3-15640,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(C#N)cc5)n34)c2)nn1,INKVPTPWCMKBDH-UHFFFAOYSA-N,3,1,0.407,89,348,420.436,3.402,5,0.425,0.73,0.996,0.49639332465218283,0.3906175039407854,0.5793297238023439,0.5105030498252348,0.4942109005551368
EOS-3-15641,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)cc1,NOTUTRHUEGAHAP-UHFFFAOYSA-N,3,1,0.364,74,139,412.478,3.941,5,0.483,0.86,1.0,0.13962374066205194,0.05923171818244123,0.4741278870536632,0.38805599342060176,0.26525983482968957
EOS-3-15642,Cc1nc(CCOc2cncc3nnc(-c4cncc(-c5ncc(F)cn5)c4)n23)ccc1F,GYCUNOYKXCAVIO-UHFFFAOYSA-N,3,1,0.484,87,491,446.421,3.246,5,0.392,0.7,1.0,0.7639383866767185,0.6693252690014393,0.4203447330546227,0.3880645603454184,0.5604182372695498
EOS-3-15643,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)n5)n34)cc2)n1,VZCBXXGCCPWRNY-UHFFFAOYSA-N,3,1,0.3,98,746,447.466,2.809,6,0.401,0.65,1.0,0.094955794667946,0.06687341511890892,0.07740216571859365,0.08458981563977795,0.08095529778630663
EOS-3-15644,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)cn1,SDNDDYKBCQALSK-UHFFFAOYSA-N,3,1,0.338,86,167,422.412,2.699,6,0.421,0.7,1.0,0.11812075937221575,0.09075800150777877,0.21900486601329586,0.19539442121855938,0.15581951202796246
EOS-3-15645,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nccc(-c5nnnn5C)n4)n23)cc1,DDOVXCPBRLKWPV-UHFFFAOYSA-N,3,1,0.286,8,890,437.431,1.234,6,0.395,0.64,1.0,0.059531560551024605,0.031063669385237476,0.011916592419984922,0.012019395517784935,0.028632804468507987
EOS-3-15646,Cc1noc(-c2ncccc2-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)n1,CHDUXIGUIUMMFJ-UHFFFAOYSA-N,3,1,0.36,52,229,469.465,2.079,6,0.384,0.72,1.0,0.03469604550750462,0.0019532588582002602,0.0014649441436501954,0.001841888835583579,0.009989034336234666
EOS-3-15647,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)nn1,SKXSEBVUOXOAPT-UHFFFAOYSA-N,3,1,0.307,38,63,432.451,3.106,6,0.418,0.67,1.0,0.14802789390720308,0.06315536974847509,0.2804982523473374,0.2717514221095196,0.19085823452813377
EOS-3-15648,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)cn1,KLWYKGQABOQMRT-UHFFFAOYSA-N,3,1,0.289,76,968,432.451,3.106,6,0.418,0.67,1.0,0.08765677472414501,0.07412960043862656,0.2654890000685354,0.24500548283188267,0.1680702145157974
EOS-3-15649,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cn1,CIPRCLZURDZEEI-UHFFFAOYSA-N,3,1,0.37,32,327,446.449,4.511,6,0.393,0.75,1.0,0.2446028373654993,0.36695565759714893,0.685165512987458,0.7138390103488452,0.5026407545747378
EOS-3-15650,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cnccn4)n23)cc1,STKAPTIBDCLZME-UHFFFAOYSA-N,3,1,0.292,86,495,433.439,2.501,6,0.412,0.66,1.0,0.056044822150640806,0.019181344664519224,0.08164279350284422,0.10204920841614694,0.0647295421835378
EOS-3-15651,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccncn6)cnn5)n34)cc2)nn1,JXMQWHFMTAZQMA-UHFFFAOYSA-N,3,1,0.283,98,63,433.439,2.501,6,0.412,0.66,1.0,0.05775820711397437,0.025906380645603456,0.22608971283668014,0.22166917963127955,0.13285587005688437
EOS-3-15652,COc1cc(Cl)c(F)cc1-c1nnc2cncc(-c3cc(-c4cn(C)nn4)cnn3)n12,HJLYCOBMTJYTHE-UHFFFAOYSA-N,3,1,0.322,50,844,437.826,2.845,5,0.422,0.66,0.959,0.18682749640189159,0.37655918031663355,0.505337194160784,0.507247618394901,0.3939928723185525
EOS-3-15653,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(F)nc4)n23)cc1,YNOHNMWPYCTAJS-UHFFFAOYSA-N,3,1,0.325,98,882,451.429,2.64,6,0.372,0.7,1.0,0.1726149681310397,0.2272205469124803,0.22247447056404632,0.2662171886779522,0.22213179357137963
EOS-3-15655,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(F)c5)n4)n23)nc1,UNGGJDHHXVMZHI-UHFFFAOYSA-N,3,1,0.349,10,136,450.441,3.245,6,0.402,0.67,1.0,0.07072853128640944,0.22189191967651292,0.28799431156192173,0.317567336029059,0.22454552463847577
EOS-3-15656,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(Cl)n5)cc4Cl)n23)cn1,JQWXPQAHCPFJBZ-UHFFFAOYSA-N,3,1,0.36,96,46,462.3,4.321,5,0.398,0.77,1.0,0.24461140429031594,0.27293365773421974,0.64960420807347,0.7352820231649647,0.4756078233157426
EOS-3-15657,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)cc1,AASFUGUZTGXRJN-UHFFFAOYSA-N,3,1,0.39,9,867,432.491,4.259,6,0.416,0.71,1.0,0.2063515180590775,0.07413816736344322,0.4947484750873826,0.4415650058255089,0.30420079158385305
EOS-3-15658,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)nc4OC)n23)cc1,XNFQVCWJKJOKOA-UHFFFAOYSA-N,3,1,0.369,0,999,410.384,3.159,4,0.543,0.82,1.0,0.527131450894387,0.3716760331711329,0.6549842368583373,0.4032708518950038,0.4892656432047152
EOS-3-15659,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5cncnn5)nc4)n23)cc1,YYVXIVNFINWZMO-UHFFFAOYSA-N,3,1,0.317,39,972,449.413,2.696,6,0.395,0.66,1.0,0.2793502844219039,0.2677849359194024,0.19114522650949214,0.28078096086628745,0.25476535192927147
EOS-3-15660,Cc1noc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nn5)n34)cnn2)n1,LKWHREUZGGFQQK-UHFFFAOYSA-N,3,1,0.381,53,105,431.376,0.408,5,0.391,0.71,0.999,0.3894267013912686,0.09076656843259544,0.006844972928517579,0.0020817627304502775,0.12228000137070799
EOS-3-15661,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)cc2)nc1,INSXGLUKYGZPBM-UHFFFAOYSA-N,3,1,0.307,38,608,419.412,2.49,6,0.457,0.68,1.0,0.10489342745528066,0.12265266260023303,0.1314080597628675,0.1548043314371873,0.1284396203138921
EOS-3-15662,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(Cl)ncn5)cn4)n23)cc1,AXNREKTXKWDURR-UHFFFAOYSA-N,3,1,0.495,89,731,472.896,3.235,5,0.374,0.75,1.0,0.5799893770132273,0.4808700568843808,0.45343876362141045,0.33661160989651157,0.46272745185388253
EOS-3-15663,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5ccc(F)nc5)c4)n23)cc1,IOMFPQZMSYRCRJ-UHFFFAOYSA-N,3,1,0.5,97,91,473.443,3.465,5,0.376,0.78,1.0,0.7951219930093893,0.41905969433212253,0.7565451305599342,0.6160732643410322,0.6467000205606196
EOS-3-15664,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)cn1,RDOPYGKVPKXIQG-UHFFFAOYSA-N,3,1,0.522,35,426,431.406,3.543,5,0.406,0.68,1.0,0.8531115070934138,0.8006562264409568,0.7193561099307793,0.7026934411623603,0.7689543211568776
EOS-3-15665,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1F,VBHOFXFTOISLBU-UHFFFAOYSA-N,3,1,0.49,90,636,471.855,3.185,5,0.412,0.71,0.998,0.6061956000274141,0.48504214927009803,0.29871153450757315,0.44468336645877593,0.4586581625659653
EOS-3-15666,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n(C)n1,JOFUQANHNSPXNW-UHFFFAOYSA-N,3,1,0.312,98,945,434.467,3.049,6,0.42,0.65,1.0,0.07270749091905969,0.06316393667329176,0.10899698444246453,0.1471969021999863,0.09801632855870057
EOS-3-15667,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)n1,ZUIVZXTWXCDAFI-UHFFFAOYSA-N,3,1,0.588,84,73,428.431,3.107,5,0.406,0.71,1.0,0.706831265848811,0.6594904393119047,0.36900315262833255,0.37519703927078335,0.5276304742649579
EOS-3-15668,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4F)n23)n1,OZYBXWXMFZVLGR-UHFFFAOYSA-N,3,1,0.517,20,846,428.431,3.107,5,0.406,0.71,1.0,0.8220221369337263,0.8454012747584128,0.3542509080940306,0.31757590295387567,0.5848125556850113
EOS-3-15669,CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncn5C)cc4F)n23)cc1F,RHVVVOZBDBFJTD-UHFFFAOYSA-N,3,1,0.327,61,648,473.487,4.277,5,0.398,0.83,1.0,0.30613905832362415,0.21169727914467823,0.6284524707011171,0.5668648481940922,0.4282884140908779
EOS-3-15670,COc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cn1,NBWBPVCUTHZWGY-UHFFFAOYSA-N,3,1,0.5,4,31,445.87,3.884,5,0.363,0.75,1.0,0.5371975875539716,0.5778647796586938,0.5195240216571859,0.4542440545541772,0.5222076108560071
EOS-3-15671,COc1ccc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)cc1-c1ccccn1,ZZWLLEUOCKEURR-UHFFFAOYSA-N,3,1,0.5,97,980,446.417,4.114,5,0.388,0.75,1.0,0.9276266191487903,0.7408762250702488,0.836860050716195,0.7558769104242341,0.8153099513398671
EOS-3-15672,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)ccn2)n[nH]1,SXWDDUGZJLDCPO-UHFFFAOYSA-N,3,1,0.558,27,69,453.388,3.273,5,0.431,0.68,0.999,0.6173754369131657,0.5307895277911041,0.7565536974847509,0.5473151257624563,0.6130084469878693
EOS-3-15673,Cn1nnnc1-c1nccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1,MGXUIXJCOQOSGY-UHFFFAOYSA-N,3,1,0.517,36,728,438.814,2.143,5,0.406,0.66,1.0,0.5634038105681585,0.7840363922966213,0.12577959015831677,0.22439346172297991,0.4244033136865191
EOS-3-15674,Cc1cccnc1-c1cncc(-c2nnc3cncc(-c4ccnc(-c5cccnc5)n4)n23)c1,DXHYDFNHYHZXGC-UHFFFAOYSA-N,3,1,0.275,42,723,443.474,4.076,6,0.401,0.74,0.999,0.09035535604139538,0.09698615584949627,0.3244294428072099,0.3145946131176753,0.20659139195394421
EOS-3-15675,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)cn2)cn1,FIYIQSFMBJERCB-UHFFFAOYSA-N,3,1,0.311,86,151,438.43,2.974,6,0.39,0.66,1.0,0.00793297238023439,0.12963470632581728,0.47081248714961277,0.4381039681995751,0.2616210335138099
EOS-3-15676,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ncncc5F)cc4F)n23)c(F)c1,NVZQMJDLYLLQBL-UHFFFAOYSA-N,3,1,0.368,45,46,429.365,4.204,5,0.427,0.71,0.999,0.4814611746967309,0.7036272359673772,0.9619200191899115,0.967505654170379,0.7786285210060997
EOS-3-15677,Cc1ncc(CNCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1C(F)(F)F,KBYAZRZRKJWZNG-UHFFFAOYSA-N,3,1,0.373,68,455,449.387,4.136,4,0.446,0.71,1.0,0.3433880474264958,0.4004009320814201,0.9796449866355973,0.932406963196491,0.663960232335001
EOS-3-15678,Cc1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)cn2)n1,UPHIRFGMMPVAOY-UHFFFAOYSA-N,3,1,0.288,98,725,447.466,2.809,6,0.401,0.64,1.0,0.04057295593173874,0.04065862517990542,0.13762764717976836,0.13104824892056746,0.087476869302995
EOS-3-15679,Cc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3ccc(C#N)nc3)n12,KLESNQSDSMCAGP-UHFFFAOYSA-N,3,1,0.585,16,214,422.452,3.346,5,0.427,0.74,1.0,0.5527551230210404,0.35249468850661364,0.539639161126722,0.4065262833253375,0.46285381399492836
EOS-3-15680,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)nc1,SWCLQUCMGFBDNP-UHFFFAOYSA-N,3,1,0.243,86,249,439.378,1.215,6,0.39,0.65,1.0,0.0037865807689671715,0.05146151737372353,0.03688917826057159,0.06012267836337468,0.038064988691659245
EOS-3-15681,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cc1F,IQGLVVZCNOYIPV-UHFFFAOYSA-N,3,1,0.321,98,765,453.445,2.583,6,0.4,0.64,1.0,0.22563566582139674,0.32365841957370983,0.18779555890617505,0.21008669727914467,0.23679408539510657
EOS-3-15682,Cc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ccc1-c1cnn(C)c1,DEFRTYGJOQGVPC-UHFFFAOYSA-N,3,1,0.465,46,16,433.422,3.752,5,0.42,0.72,1.0,0.4938403810568158,0.42344595983825645,0.7426067438832157,0.6799653896237406,0.5849646186005071
EOS-3-15683,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(C#N)cc(-c5cncnn5)c4)n23)nc1,QOJKZHRNAZXNMB-UHFFFAOYSA-N,3,1,0.261,70,369,457.461,2.977,6,0.391,0.66,1.0,0.09496436159276266,0.0514700842985402,0.4277465560962237,0.41308854773490505,0.24681738743060788
EOS-3-15684,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1,RRHNTLGKDMTVIU-UHFFFAOYSA-N,3,1,0.608,15,889,431.887,3.862,5,0.379,0.77,1.0,0.7979319443492564,0.7130936878897951,0.5984682338427798,0.5701117126996094,0.6699013946953601
EOS-3-15685,Fc1cc(-c2nnc3cncc(OCc4cnnc(-c5cccnn5)n4)n23)ccc1Cl,IZUAADGLMVPMDK-UHFFFAOYSA-N,3,1,0.517,36,391,435.81,2.805,5,0.41,0.65,1.0,0.8220307038585429,0.9317730107600576,0.365250839558632,0.4758327050921801,0.6487218148173531
EOS-3-15686,CCn1cc(COc2cncc3nnc(-c4cncc(-c5ncc(C)cn5)c4)n23)c(C)n1,CUDUJYZYQJZMGK-UHFFFAOYSA-N,3,1,0.455,92,131,427.472,3.056,5,0.407,0.73,1.0,0.10976800767596463,0.10998218079638133,0.0685525323829758,0.03633232814748818,0.08115876225070248
EOS-3-15687,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)n1,KKVSXTFTLNTFGA-UHFFFAOYSA-N,3,1,0.329,98,42,423.4,2.094,6,0.414,0.71,1.0,0.18124186142142418,0.0907751353574121,0.0707370982112261,0.07578301692824344,0.10463427797957645
EOS-3-15688,COCc1ccc(-c2nnc3cncc(-c4ncc(-c5nc(C)nn5C)cc4F)n23)cn1,VBIIMAAUWDNZAQ-UHFFFAOYSA-N,3,1,0.353,50,974,431.435,2.638,5,0.418,0.68,0.964,0.2634586388869851,0.30864060037009117,0.12852100609965048,0.11325474607634843,0.2034687478582688
EOS-3-15689,Fc1ccc(Cl)c(COc2cncc3nnc(-c4cccc(-c5nc[nH]n5)c4)n23)c1,SGLHQJOHTWMULJ-UHFFFAOYSA-N,3,1,0.529,43,521,421.823,3.948,5,0.462,0.73,1.0,0.8343242409704612,0.8125728188609417,0.8135151805907751,0.8382393256116785,0.8246628915084642
EOS-3-15690,Fc1cncc(F)c1CCOc1cncc2nnc(-c3cc(-c4cccnc4)ccn3)n12,MPOGYOQVDWXVIK-UHFFFAOYSA-N,3,1,0.465,18,559,431.406,3.543,5,0.406,0.69,1.0,0.7190305667877459,0.6446953601535192,0.6906397779453087,0.6970735384826263,0.6878598108423
EOS-3-15691,CCn1c(-c2ccnnc2)nnc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,IUTQHDVYULJAJE-UHFFFAOYSA-N,3,1,0.474,61,311,435.398,3.128,5,0.4,0.71,1.0,0.3213282160235762,0.3765677472414502,0.3317798642999109,0.4003580974573367,0.35750848125556844
EOS-3-15692,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)cn1,XRXJFVQBEBSBFM-UHFFFAOYSA-N,3,1,0.671,84,858,445.433,3.851,5,0.392,0.74,1.0,0.8165478719758755,0.7883112877801385,0.7635443081351518,0.7082448084435611,0.7691620690836817
EOS-3-15693,Cc1cccnc1-c1cnc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cn1,KXFWARAIPCAFHE-UHFFFAOYSA-N,3,1,0.442,18,304,444.886,3.622,5,0.391,0.7,0.998,0.6704989377013227,0.6352631759303681,0.24061065040093207,0.2838307861010212,0.457550887533411
EOS-3-15694,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnccc4-c4ccc(F)c(F)c4)n23)cc1,CACMCIQSABTSCL-UHFFFAOYSA-N,3,1,0.412,62,124,443.417,3.553,5,0.456,0.62,1.0,0.32133678294839285,0.3378281132204784,0.7426153108080323,0.7052720855321774,0.5267630731272702
EOS-3-15695,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncs5)cn4)n23)cc1,WQTJPPYLWDJVFI-UHFFFAOYSA-N,3,1,0.415,14,357,413.466,3.0,5,0.474,0.77,1.0,0.13963230758686862,0.07414673428825988,0.2987201014323898,0.22759749160441367,0.185024158727983
EOS-3-15697,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cn1,LUDTWFYWSQEBNU-UHFFFAOYSA-N,3,1,0.649,59,294,431.406,3.809,5,0.418,0.73,1.0,0.9129600438626551,0.8697998766362827,0.8072441916249743,0.7430950585977657,0.8332747926804194
EOS-3-15698,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cnccn1,IISWCQKFIYXYGD-UHFFFAOYSA-N,3,1,0.518,4,208,434.822,3.41,5,0.414,0.67,1.0,0.7979405112740731,0.8242752381605098,0.5984768007675965,0.6335669248166678,0.7135648687547118
EOS-3-15699,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnc(-c5ncccn5)cn4)n23)nc1,JKYNNHISXIQXNX-UHFFFAOYSA-N,3,1,0.282,86,513,449.413,2.696,6,0.395,0.64,1.0,0.2660972517305188,0.32825885820026046,0.16840004112123913,0.22167774655609623,0.24610847440202865
EOS-3-15700,Clc1ccnc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)c1,BFAHJMAFZGCVJV-UHFFFAOYSA-N,3,1,0.31,98,973,443.818,2.532,6,0.399,0.68,1.0,0.04495922143787266,0.1517459392776369,0.08662874374614489,0.1736258652594065,0.11423994243026524
EOS-3-15701,N#Cc1ncc(F)cc1Cn1ncc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)n1,BSOWDMYOMFXTMV-UHFFFAOYSA-N,3,1,0.35,22,844,449.812,3.296,5,0.414,0.68,1.0,0.3687632787334658,0.4944229319443493,0.6851740799122746,0.7990028099513399,0.5868407751353574
EOS-3-15702,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)nc5)n34)cc2)c1,JAHRTZGKBJFGHV-UHFFFAOYSA-N,3,1,0.314,38,270,429.447,3.767,6,0.417,0.71,1.0,0.13438934959906793,0.15572955931738744,0.4534473305462271,0.4604807758207114,0.3010117538208485
EOS-3-15703,O=C(c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)cc1F)N1CCOCC1,PXWMQZSKXQPPIA-UHFFFAOYSA-N,3,1,0.404,62,376,481.491,3.527,6,0.387,0.86,0.999,0.10733500102803098,0.06688198204372559,0.04751216503323967,0.17363443218422314,0.09884089507230484
EOS-3-15704,Fc1cc(Cc2cncc3nnc(-c4cc(Cl)ccc4Cl)n23)cnc1-c1cncnc1,CFBAKYMRQBRYIK-UHFFFAOYSA-N,3,1,0.316,73,575,452.28,4.68,5,0.394,0.77,1.0,0.3165821396751422,0.46761702419299567,0.8662788705366322,0.9202933315057227,0.6426928414776232
EOS-3-15705,COc1ccc(-c2nnc3cncc(OCc4ncc(C)cn4)n23)cc1-c1nc(C)nn1C,XDDIERDVJZHLFN-UHFFFAOYSA-N,3,1,0.463,51,986,443.471,2.581,5,0.39,0.7,1.0,0.2144729627852786,0.11303200603111507,0.0529864299910904,0.018513124528819137,0.0997511308340758
EOS-3-15706,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)n1,MLSODHASSIAOTF-UHFFFAOYSA-N,3,1,0.448,44,16,449.396,3.948,5,0.401,0.7,1.0,0.7461877184565828,0.6549242683846207,0.7586868617641012,0.7662600233020355,0.731514717976835
EOS-3-15707,Cc1c(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)ccnc1F,TXRMGZCOXOMQQO-UHFFFAOYSA-N,3,1,0.517,89,744,455.453,3.374,5,0.39,0.7,0.997,0.552763689945857,0.30362894935234047,0.6017407991227469,0.43811253512439174,0.4740614933863341
EOS-3-15708,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cncnn6)n5)n34)cn2)cn1,GBFNMLQYTVVFQV-UHFFFAOYSA-N,3,1,0.28,99,286,439.378,1.215,6,0.364,0.7,0.521,0.021759989034336236,0.12626790487286685,0.049268384620656566,0.089978411349462,0.07181867246933041
EOS-3-15709,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)cc1F,KAVWXHOJTSSBNJ-UHFFFAOYSA-N,3,1,0.35,74,768,412.388,2.548,5,0.481,0.8,1.0,0.17828627235967376,0.19748475087382633,0.4568312658488109,0.4257247618394901,0.3145817627304503
EOS-3-15710,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncc(C#N)cn5)c4)n23)cn1,CETCUOYKBXRJQC-UHFFFAOYSA-N,3,1,0.523,92,382,422.412,2.192,5,0.414,0.75,1.0,0.640112055376602,0.5632924405455417,0.23690117195531493,0.19540298814337606,0.4089271640052087
EOS-3-15711,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnc(C(F)F)cn4)n23)cc1F,RPTZCKAEKLXKDF-UHFFFAOYSA-N,3,1,0.342,50,243,422.374,3.726,5,0.439,0.73,1.0,0.2686844630251525,0.47186621890206293,0.7905301213076554,0.737877801384415,0.5672396511548214
EOS-3-15712,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,JGLIBWWXSGNRTR-UHFFFAOYSA-N,3,1,0.554,27,430,431.406,4.16,5,0.399,0.75,1.0,0.7370211089027483,0.6397179768350353,0.8399184428757454,0.745613734493866,0.7405678157768487
EOS-3-15713,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)ccc4Cl)n23)nn1,KQUUZAYXFWGLOO-UHFFFAOYSA-N,3,1,0.432,53,785,434.847,3.481,5,0.409,0.69,1.0,0.5634123774929751,0.630208690288534,0.2512850387225002,0.259929065862518,0.4262087930916318
EOS-3-15714,Fc1cc(-c2nnc3cncc(OCc4nncc(-c5ncccn5)n4)n23)ccc1Cl,RHENIUJFPDNEQH-UHFFFAOYSA-N,3,1,0.524,73,391,435.81,2.805,5,0.41,0.64,1.0,0.8461037625933795,0.9469021999862929,0.29149818381193887,0.40327941881982043,0.6219458913028579
EOS-3-15715,Fc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,FDJFKQPMZCFJIX-UHFFFAOYSA-N,3,1,0.517,34,433,434.381,4.245,5,0.412,0.73,1.0,0.8686005071619491,0.8724813241038997,0.9418305804948256,0.9402371324789254,0.9057873860599
EOS-3-15716,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cc(=O)n2C)nn1,LQUYSBDXUAOBKL-UHFFFAOYSA-N,3,1,0.548,15,393,440.467,2.272,5,0.395,0.7,0.995,0.2661058186553355,0.1262764717976835,0.18465149749845797,0.1446439586046193,0.18041943663902407
EOS-3-15717,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cc(F)cnc4-c4cccnc4)n23)cn1,AEQSAVWMBWGGEF-UHFFFAOYSA-N,3,1,0.297,70,899,450.441,3.245,6,0.402,0.68,0.873,0.21737715029812898,0.22722911383729696,0.2691299431156192,0.3115019532588582,0.25630954012747587
EOS-3-15718,O=C(O)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ccc(Cl)c(Cl)c5)n4)n23)nc1,AWWMESIRXJPEBG-UHFFFAOYSA-N,3,1,0.321,22,844,453.249,3.643,5,0.421,0.7,0.983,0.2366955657597149,0.20684839969844424,0.4391405661023919,0.5206462888081694,0.3508327050921801
EOS-3-15719,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)n[nH]1,TXPRJACJGQXFOT-UHFFFAOYSA-N,3,1,0.506,47,772,436.838,3.651,5,0.448,0.67,1.0,0.8394044273867453,0.7754694674799534,0.5888475772736619,0.6100592831197313,0.7034451888150229
EOS-3-15720,Cc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)nn1,WFMWYCGVAVZADC-UHFFFAOYSA-N,3,1,0.404,85,81,446.877,3.924,5,0.403,0.7,1.0,0.48146974162154754,0.7036358028921939,0.4314131999177575,0.517382290453019,0.5334752587211294
EOS-3-15721,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cc1,NFBBNWUBOQLMKY-UHFFFAOYSA-N,3,1,0.432,62,3,411.4,3.153,5,0.486,0.84,1.0,0.2634672058118018,0.15175450620245357,0.5566188061133576,0.4909704612432321,0.36570274484271126
EOS-3-15722,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,BLEQFUFJSCVFRE-UHFFFAOYSA-N,3,1,0.31,10,543,438.386,2.894,6,0.404,0.65,0.999,0.252835652114317,0.3190065793982592,0.22980775820711397,0.32364128572407647,0.2813228188609417
EOS-3-15723,Fc1cccc(-c2nnccc2-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)c1,XTQIALPYNPGZHV-UHFFFAOYSA-N,3,1,0.326,10,783,453.416,3.774,6,0.401,0.68,1.0,0.017930573641285724,0.18419745048317457,0.6049533959289973,0.7243506270988965,0.38285801178808854
EOS-3-15724,Fc1cccc(Oc2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1,NTOCGIWVLIMMJD-UHFFFAOYSA-N,3,1,0.539,35,393,428.427,4.134,5,0.385,0.79,1.0,0.8035689808786238,0.7361644164210814,0.7373295181961483,0.705280652456994,0.7455858919882118
EOS-3-15725,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cn1,FXSUOJYUVSXESN-UHFFFAOYSA-N,3,1,0.518,35,76,429.871,3.918,5,0.378,0.76,1.0,0.8864197107806182,0.9098673840038379,0.5793382907271606,0.5920002056061956,0.7419063977794531
EOS-3-15726,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cncc(F)c5)n4)n23)cn1,XQIXBMMUULRMNS-UHFFFAOYSA-N,3,1,0.274,86,968,439.418,2.369,6,0.411,0.64,1.0,0.03470461243232129,0.17134706325817284,0.18466006442327462,0.2070968405181276,0.1494521451579741
EOS-3-15727,Clc1cnc(COCc2cncc3nnc(-c4cccc(-c5ccncc5)c4)n23)cn1,MTPGHQXXNVLAMJ-UHFFFAOYSA-N,3,1,0.436,14,351,429.871,4.014,5,0.402,0.73,1.0,0.35736926872729763,0.35250325543143035,0.5920259063806456,0.6335754917414845,0.4838684805702145
EOS-3-15728,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)c(F)c2)n1,ORQQWJUGPBIAAL-UHFFFAOYSA-N,3,1,0.329,25,219,470.447,3.328,6,0.389,0.71,1.0,0.2063600849838942,0.37657631416626686,0.5125505448564184,0.5505020217942568,0.41149724145020905
EOS-3-15729,Cc1ccc(-c2nnc3cncc(-c4cnc(OC(F)F)nc4)n23)cc1C(F)(F)F,DJZMUSLYTVNWDB-UHFFFAOYSA-N,3,1,0.36,68,861,422.317,4.177,4,0.46,0.75,1.0,0.6228240010965663,0.6987954903707765,0.9931550270714824,0.9766722637242136,0.8228616955657597
EOS-3-15730,Fc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncc(Cl)cn5)c4)n23)nc1,PYZWMEOFTNYVGG-UHFFFAOYSA-N,3,1,0.402,46,382,435.81,2.805,5,0.41,0.61,0.987,0.737029675827565,0.6839061750394079,0.31715612363785894,0.3941899115893359,0.5330704715235419
EOS-3-15731,Fc1cnc(-c2nc[nH]c2-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)nc1,SUBUAEXQPPNRLO-UHFFFAOYSA-N,3,1,0.258,86,165,437.402,2.63,6,0.441,0.63,0.949,0.18401754506202453,0.197493317798643,0.222483037488863,0.26895860461928583,0.21823812624220407
EOS-3-15732,Cc1nc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)nc2)no1,YAWQHPKWWDFJII-UHFFFAOYSA-N,3,1,0.301,10,543,452.413,3.203,6,0.392,0.69,1.0,0.23379994517168118,0.33783668014529505,0.1527311356315537,0.2244020286477966,0.23719244739908163
EOS-3-15734,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)cn2)c1F,DJTHKCMURBBYAL-UHFFFAOYSA-N,3,1,0.281,94,151,453.416,3.774,6,0.401,0.67,1.0,0.01055445137413474,0.19750188472345967,0.7751353574121034,0.782879857446371,0.44151788773901723
EOS-3-15735,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnn5)n4)n23)cn1,KPLOGCGLSOAMSZ-UHFFFAOYSA-N,3,1,0.439,7,185,458.417,1.511,5,0.397,0.64,1.0,0.529632992940854,0.37168460009594956,0.1144112809265986,0.07376122267150984,0.27237252415872804
EOS-3-15736,c1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccon6)s5)n34)nc2)ccn1,GOPIQMVUJUCCMN-UHFFFAOYSA-N,3,1,0.286,70,957,425.437,3.422,6,0.418,0.76,0.888,0.032160235761770954,0.07758207113974368,0.08917312041669523,0.14000068535398533,0.0847290281680488
EOS-3-15737,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)c2)nc1,QJKGSDXRCNCMCP-UHFFFAOYSA-N,3,1,0.483,4,666,433.834,4.015,5,0.413,0.68,1.0,0.6340895072304845,0.6790401617435405,0.7012713316427935,0.7558854773490508,0.6925716194914673
EOS-3-15738,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)cc2)n1,XYXODTNMBKWRPY-UHFFFAOYSA-N,3,1,0.506,27,343,435.398,2.893,5,0.401,0.68,1.0,0.539690562675622,0.4587759577821945,0.512559111781235,0.3816565005825509,0.4731705332054006
EOS-3-15739,COc1cc(-c2nnc3cncc(COc4ccc(Cl)cn4)n23)ccc1-c1nccn1C,CCQCLHWCNXKEPT-UHFFFAOYSA-N,3,1,0.392,14,351,447.886,3.828,5,0.39,0.74,1.0,0.49892913439791653,0.44111952573504215,0.5053457610856007,0.3941984785141526,0.459898224933178
EOS-3-15740,Cc1cccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)ccc4F)n23)n1,IGHVGLNSQCFKSI-UHFFFAOYSA-N,3,1,0.435,36,250,416.42,3.008,5,0.435,0.78,1.0,0.5889675142210952,0.48087862380919744,0.3769275580837503,0.3366201768213282,0.4458484682338428
EOS-3-15741,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cccc(-c4cccc(F)c4)c3)n12,BIRCACLUSKVCAP-UHFFFAOYSA-N,3,1,0.634,91,660,428.471,4.261,5,0.404,0.79,1.0,0.3803800287848674,0.5778733465835104,0.5732043725584264,0.5827736275786444,0.5285578438763621
EOS-3-15742,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)cn1,ZLZXLBDLRPSBBU-UHFFFAOYSA-N,3,1,0.305,70,114,446.478,3.414,6,0.405,0.68,0.665,0.04058152285655541,0.0212631073949695,0.117469673086149,0.12022822287711603,0.07488563155369748
EOS-3-15743,Fc1cccc(-c2cccnc2-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)c1,XBTBZBIUUJKFRH-UHFFFAOYSA-N,3,1,0.318,10,872,436.414,3.03,6,0.414,0.65,0.966,0.0019960934822835993,0.09394489753957919,0.2842762661914879,0.3971112329518196,0.19433212254129256
EOS-3-15744,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)nn1,FQYKYWVFLIMSRA-UHFFFAOYSA-N,3,1,0.284,98,63,447.466,2.984,6,0.392,0.7,1.0,0.16994208758823934,0.06689054896854225,0.07297306558837639,0.09588102254814612,0.10142168117332603
EOS-3-15745,NC(=O)c1ccc(-c2nnc3cncc(Cn4cnc(-c5cc(F)nc(Cl)c5)n4)n23)cn1,JDNJYIBBIXQBIQ-UHFFFAOYSA-N,3,1,0.381,85,290,450.825,1.78,5,0.399,0.67,1.0,0.24755842642724968,0.25240730587348364,0.10365979028168049,0.1377218833527517,0.1853368514837914
EOS-3-15747,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)nc1,VGAMQNZEWAVNOR-UHFFFAOYSA-N,3,1,0.375,51,924,436.798,2.2,5,0.404,0.63,1.0,0.542346309368789,0.5831077376464944,0.14353025837845246,0.20710540744294428,0.36902242820917003
EOS-3-15748,COc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1cccc(F)n1,MEDHYOUZJBGVMO-UHFFFAOYSA-N,3,1,0.462,11,777,443.442,3.413,5,0.353,0.75,1.0,0.8771417312041669,0.7408847919950654,0.40620930710712083,0.32692241792886023,0.5877895620588033
EOS-3-15749,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)nc1,VUWMXTDSDWJEQJ-UHFFFAOYSA-N,3,1,0.466,24,617,430.859,3.579,5,0.416,0.69,1.0,0.5603796861078747,0.6397265437598519,0.3578575834418477,0.3525460900555137,0.477627475841272
EOS-3-15750,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)ncn1,XWMWKNCCKVAWDS-UHFFFAOYSA-N,3,1,0.494,24,786,430.859,3.579,5,0.416,0.69,1.0,0.5662908642313755,0.6839147419642245,0.4314217668425742,0.409867384003838,0.522873689260503
EOS-3-15751,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnn5)cc4Cl)n23)cc1F,RVTONWRSIODBGE-UHFFFAOYSA-N,3,1,0.415,13,451,475.871,4.193,5,0.406,0.78,1.0,0.8035775478034405,0.6790487286683572,0.7449540812829827,0.702702008087177,0.7325705914604893
EOS-3-15752,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccon5)nn4)n23)cc1,KHNPHXRRPIVMGY-UHFFFAOYSA-N,3,1,0.333,64,176,437.398,3.499,6,0.408,0.69,0.909,0.26611438558015216,0.28311973134123775,0.28050681927215404,0.3880731272702351,0.30445351586594477
EOS-3-15753,Clc1ccc(-c2nnc3cncc(OCc4ncnc(-c5cccnn5)c4Cl)n23)cc1,VOLZGIRBHJELHH-UHFFFAOYSA-N,3,1,0.529,34,32,451.277,3.924,5,0.396,0.74,1.0,0.7492546775409499,0.9159327667740388,0.46376190802549516,0.6247943938043999,0.6884359365362209
EOS-3-15754,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,ZSVMWCOJBGQPIV-UHFFFAOYSA-N,3,1,0.375,25,508,465.481,2.453,6,0.377,0.71,1.0,0.11237235282023166,0.04066719210472209,0.12309814269069974,0.09996744568569667,0.09402628332533754
EOS-3-15755,Cn1ccnc1-c1cnc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1F,VOYRDXQLSIFJEY-UHFFFAOYSA-N,3,1,0.404,92,587,437.826,2.748,5,0.413,0.64,1.0,0.5217085874854362,0.5307980947159208,0.2880028784867384,0.32693098485367694,0.41686013638544306
EOS-3-15756,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)cc1,RMFADSIYODCLSN-UHFFFAOYSA-N,3,1,0.571,1,230,455.543,4.801,5,0.368,0.9,1.0,0.5347902816804879,0.29381982043725585,0.5429973956548557,0.3847320265917346,0.43908488109108357
EOS-3-15757,COc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1ncccn1,SBBADMKFKQVJGG-UHFFFAOYSA-N,3,1,0.43,49,896,447.405,3.509,5,0.39,0.69,0.997,0.8664073744088822,0.6643307518333219,0.5888561441984785,0.5072561853197176,0.6567126139401
EOS-3-15758,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cn1,ZIOMINLGXOABOQ-UHFFFAOYSA-N,3,1,0.321,70,392,449.453,3.85,6,0.377,0.75,1.0,0.1981015694606264,0.2831282982660544,0.5596857651977246,0.5270971831951203,0.3920032040298814
EOS-3-15759,Cc1cc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)ncn2)ncn1,INTMALRPMLXLPE-UHFFFAOYSA-N,3,1,0.391,46,726,449.837,3.113,5,0.398,0.68,0.999,0.6855767253786581,0.5778819135083271,0.4603265711740114,0.46360770337879514,0.546848228359948
EOS-3-15760,Cc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)cnn4)n23)cn1,KPIGFHHRYHMYPN-UHFFFAOYSA-N,3,1,0.389,31,873,429.419,2.502,5,0.401,0.67,0.996,0.547477897333973,0.4587845247070112,0.18127612912069083,0.18466863134809128,0.34305179562744154
EOS-3-15761,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)ccc1Cl,YNJNMCOWRTTWOS-UHFFFAOYSA-N,3,1,0.714,11,360,446.873,4.662,5,0.377,0.81,1.0,0.9325783016928243,0.9269412651634569,0.8662874374614489,0.8710849153587829,0.8992229799191281
EOS-3-15762,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cnc(C)nc4)n23)nc1,FJQMDCKMBLNXCC-UHFFFAOYSA-N,3,1,0.264,33,432,425.416,1.163,5,0.444,0.62,0.509,0.13720786786375164,0.019189911589335893,0.0304982523473374,0.013904118977451854,0.05020003769446919
EOS-3-15763,O=C(c1ccccc1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cc1,BCUVIWPLKULZMX-UHFFFAOYSA-N,3,1,0.447,14,319,460.419,4.422,5,0.361,0.84,1.0,0.48651566033856486,0.5495253923651566,0.9160184360222055,0.8362260982797615,0.697071396751422
EOS-3-15764,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnncn5)cc4)n23)nn1,BFMHIGBMAYFXMD-UHFFFAOYSA-N,3,1,0.495,72,482,431.847,2.708,5,0.4,0.63,1.0,0.8919625111370023,0.8860941676375849,0.2654975669933521,0.31151052018367487,0.5887661914879035
EOS-3-15765,COc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cnccn5)n4)n23)c1,DDYZYNTXFMLQCG-UHFFFAOYSA-N,3,1,0.303,39,953,449.438,2.295,6,0.386,0.66,0.97,0.012961757247618395,0.009295113426084573,0.06856109930779247,0.06814131999177575,0.0397398224933178
EOS-3-15766,Cn1c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc[nH]6)nc5)n34)nc2)cnc1C#N,QCDRQQMKEGXXSK-UHFFFAOYSA-N,3,1,0.281,70,392,444.462,3.516,6,0.441,0.67,0.39,0.18125042834624083,0.13301864162840107,0.4062178740319375,0.3847405935165513,0.27630688438078266
EOS-3-15767,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cnco5)nc4)n23)ccc1Cl,UIUGUFLOTAACLI-UHFFFAOYSA-N,3,1,0.605,73,401,423.795,3.608,5,0.422,0.72,1.0,0.9614745390994449,0.9446233979850592,0.6522942224659036,0.6711757247618395,0.8073919710780619
EOS-3-15768,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)s4)n23)cn1,HTZCPLXZKHLSGV-UHFFFAOYSA-N,3,1,0.282,76,557,438.48,3.167,6,0.412,0.65,1.0,0.056053389075457476,0.10676101706531424,0.06856966623260914,0.0737697895963265,0.07628846549242685
EOS-3-15770,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cn2)cc1,BODWWODBPPJPPJ-UHFFFAOYSA-N,3,1,0.321,3,118,452.428,4.379,6,0.395,0.75,0.936,0.030978000137070798,0.26257624563086834,0.7063258172846275,0.7922435062709889,0.4480308923308889
EOS-3-15771,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)nc2)cc1,UVLVPUNGYBFMKQ-UHFFFAOYSA-N,3,1,0.307,3,118,452.428,4.379,6,0.395,0.75,0.517,0.02745699403742033,0.19751045164827633,0.7114745390994449,0.7967497087245562,0.43329792337742445
EOS-3-15772,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cn5)n34)n2)cc1,AUIXXDCLFCORPR-UHFFFAOYSA-N,3,1,0.325,3,118,452.428,4.379,6,0.395,0.75,0.938,0.011316907682818176,0.17586183263655678,0.6988383249948599,0.7899647042697553,0.4189954423959975
EOS-3-15773,Fc1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(C(F)(F)F)nn4)n23)cc1,RGRZQPDWFVZDNL-UHFFFAOYSA-N,3,1,0.405,96,121,437.36,4.468,5,0.388,0.79,1.0,0.3916284010691522,0.6740627784250566,0.9543811253512439,0.9316959084367076,0.7379420533205401
EOS-3-15774,Fc1ccc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)c(F)c1,DUBNZQMTVISZNQ-UHFFFAOYSA-N,3,1,0.322,3,635,468.431,3.228,6,0.379,0.75,1.0,0.25284421903913373,0.3429254334863957,0.33537797272291137,0.45102289082311015,0.34554262901788774
EOS-3-15775,Fc1cccnc1-c1ncnc(CCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,NRKMDIZRQKTWEC-UHFFFAOYSA-N,3,1,0.35,85,580,449.4,3.295,5,0.389,0.69,0.625,0.452753409636077,0.6067952847645809,0.3389589472962785,0.38166506750736756,0.445043177301076
EOS-3-15776,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1,DNQLRCUQSJMXQM-UHFFFAOYSA-N,3,1,0.366,62,124,468.496,3.978,5,0.425,0.75,1.0,0.2903673497361387,0.197519018573093,0.5984853676924131,0.39420704543896923,0.3701446953601535
EOS-3-15777,c1ccc(-c2ncsc2-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cc1,AARNRWOUNRKFMW-UHFFFAOYSA-N,3,1,0.324,42,106,434.488,4.434,6,0.405,0.78,1.0,0.0707370982112261,0.10008738263313001,0.2441145226509492,0.3175844698786923,0.1831308683434994
EOS-3-15778,Cc1cnnc(-c2nc(Cl)ncc2F)c1-c1cncc2nnc(-c3ccc(CO)cc3)n12,BMRIKGAGUNHYOW-UHFFFAOYSA-N,3,1,0.318,50,844,448.849,3.299,5,0.416,0.67,0.881,0.38943526831608527,0.4676255911178123,0.4812641354259475,0.5342676992666713,0.4681481735316291
EOS-3-15779,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c(F)c1,VOLQELMPTHPHPG-UHFFFAOYSA-N,3,1,0.53,16,772,436.838,3.353,5,0.39,0.72,1.0,0.6824412308957577,0.7408933589198822,0.5984939346172298,0.6160818312658488,0.6594775889246797
EOS-3-15780,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)s4)n23)cc1,YFVQOKJLNBKDPW-UHFFFAOYSA-N,3,1,0.338,98,865,438.48,3.167,6,0.412,0.66,1.0,0.049396888492906584,0.09078370228222878,0.15890788842437117,0.1708501816188061,0.11748466520457816
EOS-3-15781,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)n1,FFARDHQCBUAGFP-UHFFFAOYSA-N,3,1,0.326,70,392,433.435,3.669,6,0.41,0.7,1.0,0.20636865190871084,0.15176307312727025,0.22609827976149682,0.22441059557261325,0.2021601500925228
EOS-3-15782,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)no1,RTCUWFVDLVDSCK-UHFFFAOYSA-N,3,1,0.548,7,863,455.36,2.933,5,0.39,0.7,1.0,0.7521588650538003,0.6839233088890412,0.5296244260160373,0.34940202864779657,0.5787771571516688
EOS-3-15783,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nn2)no1,OLFOEDXMBCUHLH-UHFFFAOYSA-N,3,1,0.506,73,391,439.798,2.706,5,0.402,0.73,1.0,0.7492632444657665,0.8314628880816942,0.14061750394078543,0.23348296895346446,0.4887066513604277
EOS-3-15784,Fc1cc(-c2ncc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)cn2)cnn1,OMMFYHIRTPKJDH-UHFFFAOYSA-N,3,1,0.28,50,243,421.346,3.177,5,0.435,0.7,0.945,0.2528527859639504,0.409661777808238,0.7193646768555959,0.7082533753683777,0.5225331539990405
EOS-3-15785,c1ccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)cn2)cc1,VZNWJRYNSNLFQN-UHFFFAOYSA-N,3,1,0.286,42,195,417.436,3.496,6,0.433,0.76,1.0,0.0016791172640668905,0.011188403810568159,0.32075423206085946,0.3589884175176479,0.1731525426632856
EOS-3-15786,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)cc1,NNRQHVMZLWMXDJ-UHFFFAOYSA-N,3,1,0.302,30,871,417.436,3.496,6,0.433,0.76,0.828,0.004189226235350558,0.013244465766568432,0.20522068398327736,0.26622575560276884,0.12222003289699129
EOS-3-15787,Fc1cc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccn1,BITUKSQUTRVYIV-UHFFFAOYSA-N,3,1,0.549,97,539,433.834,4.015,5,0.386,0.74,1.0,0.8972740045233363,0.9543211568775273,0.6878726612295251,0.7269806730176136,0.8166121239120006
EOS-3-15788,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)cc1,OCQGQHQSKKYCMP-UHFFFAOYSA-N,3,1,0.278,10,871,417.436,3.496,6,0.433,0.76,0.218,0.002253101226783634,0.010254609005551368,0.26550613391816874,0.33009218011102737,0.15202650606538276
EOS-3-15789,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(C#Cc4cncnc4)nc3)n12,CJKAEYHPBGBPKJ-UHFFFAOYSA-N,3,1,0.529,16,361,458.844,3.143,5,0.378,0.72,1.0,0.9157699952025221,0.9543297238023439,0.7474641902542664,0.7217377150298129,0.8348254060722363
EOS-3-15790,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6noc(C)n6)nc5)n34)nc2)no1,MAFCCKSPDUXSFT-UHFFFAOYSA-N,3,1,0.342,86,812,438.411,2.965,6,0.4,0.68,1.0,0.1618549105613049,0.14406140771708587,0.03970769652525529,0.03113220478377082,0.09418905489685422
EOS-3-15791,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)no4)n23)cc1,UZFWDJSYHZWDFD-UHFFFAOYSA-N,3,1,0.646,72,996,437.366,3.417,5,0.378,0.76,1.0,0.8531200740182304,0.6889263929819752,0.6988468919196765,0.6305856349804674,0.7178697484750873
EOS-3-15792,CCn1ncc(-c2cncc3nnc(-c4cccnc4-c4ncc(C)cn4)n23)c1C(F)F,UYEOPXFKOPXTDG-UHFFFAOYSA-N,3,1,0.278,50,489,433.426,3.773,5,0.416,0.7,1.0,0.14803646083201974,0.1557381262422041,0.24061921732574876,0.21879069289287917,0.1907961243232129
EOS-3-15793,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)s1,IFGRKBYOVYQHCZ-UHFFFAOYSA-N,3,1,0.512,72,482,450.915,3.683,5,0.386,0.72,1.0,0.7867521074635049,0.8611729833458982,0.12852957302446713,0.16551298745802207,0.48549191282297305
EOS-3-15794,Fc1cccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nc5)cn4)n23)c1,PTGSHHIJSWXVKY-UHFFFAOYSA-N,3,1,0.536,97,969,417.379,3.501,5,0.404,0.83,1.0,0.712631073949695,0.7455109313960661,0.7139418134466452,0.7163833870193955,0.7221168014529505
EOS-3-15795,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)cc(-c2ccc(F)nc2)n1,YISBHFAMZBRJSP-UHFFFAOYSA-N,3,1,0.376,46,53,457.429,2.164,5,0.379,0.68,0.997,0.46169727914467823,0.24233260228908232,0.19812727023507642,0.12887225001713384,0.25775735042149267
EOS-3-15796,Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5cnn(C)c5)ccc4F)n23)c(C)n1,UCXQMIUFRCNJER-UHFFFAOYSA-N,3,1,0.552,15,545,443.486,3.964,5,0.395,0.76,1.0,0.5718165307381262,0.5589318758138578,0.5532520046604071,0.4354053868823247,0.529851449523679
EOS-3-15797,NC(=O)c1ccc(-c2nnc3cncc(OCc4noc(-c5cccnc5)n4)n23)cc1,JHCHLBOBNODGJB-UHFFFAOYSA-N,3,1,0.511,89,731,414.385,1.914,5,0.44,0.84,1.0,0.42955417723254063,0.19752758549790966,0.0984425330683298,0.058563498046741144,0.19602194846138032
EOS-3-15798,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nc1,GFEBERABEMQTOV-UHFFFAOYSA-N,3,1,0.488,46,267,433.834,4.015,5,0.413,0.67,1.0,0.6062041669522308,0.7840449592214379,0.6906483448701254,0.7296963881844973,0.7026484648070728
EOS-3-15799,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(-c5cncnc5)n4)n23)ccc1Cl,ICDOWEDCUTUMFJ-UHFFFAOYSA-N,3,1,0.5,73,756,452.812,3.549,5,0.399,0.68,1.0,0.9276351860736071,0.9626482077993284,0.6851826468370914,0.7378863683092317,0.8283381022548146
EOS-3-15800,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cnccn5)n4C)n23)nc1,LMKGUPUJNNAXNG-UHFFFAOYSA-N,3,1,0.263,99,754,436.443,1.839,6,0.406,0.64,0.987,0.017073881159618942,0.0132530326913851,0.023918854088136522,0.026403262284970187,0.02016225755602769
EOS-3-15801,c1cncc(-c2ccc(-c3nnc4cncc(-c5csc(-c6nn[nH]n6)c5)n34)cn2)c1,PZTKBVPFTDCDCU-UHFFFAOYSA-N,3,1,0.299,70,899,424.453,3.157,6,0.458,0.73,1.0,0.09253992186964567,0.20226509492152697,0.19813583715989308,0.24228976766499896,0.18380765540401617
EOS-3-15802,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)nc5)n34)c(F)c2)n1,LWUHWZZXKRJUMR-UHFFFAOYSA-N,3,1,0.416,3,219,468.431,3.384,6,0.387,0.71,1.0,0.20355013364402713,0.3137122198615585,0.44971215132615994,0.5237560825166199,0.37268264683709135
EOS-3-15803,Cc1ccc(-c2nncn2C)cc1-c1nnc2cncc(-c3cccc(-c4cn(C)nn4)c3)n12,NLPMSAHUCYNFGN-UHFFFAOYSA-N,3,1,0.286,98,642,448.494,3.358,6,0.407,0.68,1.0,0.046347063258172845,0.04067575902953876,0.2406277842505654,0.23060448221506408,0.13956377218833527
EOS-3-15804,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)cn5)n34)n2)o1,RGHNNVMWEZBLAM-UHFFFAOYSA-N,3,1,0.268,76,387,434.423,3.064,6,0.407,0.65,1.0,0.11536220958124871,0.07759063806456035,0.12578815708313343,0.1332499485984511,0.1129977383318484
EOS-3-15805,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)nn2)c1,ZOMCQDCVRWKEFA-UHFFFAOYSA-N,3,1,0.291,10,37,447.487,4.034,6,0.401,0.73,1.0,0.012970324172435063,0.04788910972517305,0.46748852032074567,0.527105750119937,0.2638634260845727
EOS-3-15806,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)ncn2)c1,LWEDDJAKLWNHQM-UHFFFAOYSA-N,3,1,0.4,46,395,435.81,2.805,5,0.41,0.63,0.674,0.4814783085463642,0.5125162771571516,0.4203532999794394,0.49399458570351584,0.47708561784661774
EOS-3-15807,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccn(C)n5)c4)n23)cc1,VMKQQTLKNDZJPU-UHFFFAOYSA-N,3,1,0.35,74,738,410.441,2.613,5,0.489,0.83,1.0,0.10734356795284765,0.04422246590363923,0.3389675142210952,0.21325645946131178,0.17594750188472347
EOS-3-15808,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,KSQQIKLXTWMXRP-UHFFFAOYSA-N,3,1,0.322,3,973,441.846,2.872,6,0.442,0.64,1.0,0.04496778836268933,0.22190048660132958,0.16840860804605579,0.29884860530463986,0.18353137207867865
EOS-3-15809,Cc1cnnc(COc2cncc3nnc(-c4ccc(F)c(-c5ccc(C)nc5)c4)n23)c1,ZWOGPDODHFTHRX-UHFFFAOYSA-N,3,1,0.506,4,534,427.443,3.978,5,0.419,0.75,1.0,0.642844904393119,0.7084247138647112,0.6407203070385854,0.570120279624426,0.6405275512302104
EOS-3-15810,CC(F)(F)c1cnc(Cc2cncc3nnc(-c4cncnc4-c4ccc(F)cn4)n23)cn1,VRFFIIILYSTOTI-UHFFFAOYSA-N,3,1,0.298,85,674,449.4,3.275,5,0.402,0.7,1.0,0.3664930436570489,0.4634363648824618,0.6661212391200055,0.5602683160852581,0.5140797409361936
EOS-3-15811,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nc2)nc1,CYTTXFVYGYXECQ-UHFFFAOYSA-N,3,1,0.467,18,262,432.394,2.938,5,0.377,0.73,1.0,0.8531286409430471,0.804956822698924,0.4776231923788637,0.45743095058597766,0.648284901651703
EOS-3-15812,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)cnn1,OOOSSMCHZULCOR-UHFFFAOYSA-N,3,1,0.547,4,486,434.822,3.41,5,0.414,0.64,1.0,0.5189843053937359,0.6549328353094374,0.6255054485641834,0.6480964293057364,0.6118797546432733
EOS-3-15813,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)nn1,CUYUADXNHKGOFH-UHFFFAOYSA-N,3,1,0.608,72,659,434.822,3.41,5,0.414,0.64,0.993,0.9639675142210952,0.9744105955726132,0.5920344733054622,0.6593962031389212,0.797452196559523
EOS-3-15814,N#Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nn4)n23)ccc1Cl,CQXRNSUCWDTFCT-UHFFFAOYSA-N,3,1,0.529,4,534,441.842,3.142,5,0.404,0.69,1.0,0.6824497978205744,0.8964515797409361,0.5017647865122336,0.5572698923994243,0.6594840141182922
EOS-3-15815,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)c(C)n4)n23)n1,IKQDZCCKFZXPAQ-UHFFFAOYSA-N,3,1,0.44,4,122,428.431,3.373,5,0.42,0.7,0.999,0.5164227948735521,0.49443149886916593,0.2915067507367555,0.22760605852923035,0.38249177575217597
EOS-3-15816,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnn5)c(F)c4)n23)nc1,VSQYPRODFKEVQR-UHFFFAOYSA-N,3,1,0.34,33,647,468.456,2.055,6,0.397,0.66,0.327,0.1372164347885683,0.14406997464190255,0.06648790350215887,0.1084487012541978,0.11405575354670688
EOS-3-15817,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnn(C)n5)cn4)n23)cn1,VRWYNTKOINJYPT-UHFFFAOYSA-N,3,1,0.4,92,986,443.431,0.71,5,0.397,0.69,1.0,0.3872421355630183,0.18856658213967514,0.02311356315536975,0.005174422589267357,0.15102417586183262
EOS-3-15818,Cn1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)c(F)c5)c4)n23)cn1,WCBIQTZEWXQSGE-UHFFFAOYSA-N,3,1,0.583,37,619,433.422,3.487,5,0.408,0.71,1.0,0.6578284558974711,0.597431635939963,0.732360701802481,0.7052892193818107,0.6732275032554313
EOS-3-15819,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)nc1,WZAQAVPHBTXIAW-UHFFFAOYSA-N,3,1,0.287,98,866,422.416,1.829,6,0.45,0.65,1.0,0.11238091974504832,0.09699472277431294,0.08663731067096155,0.11071893633061476,0.10168297238023438
EOS-3-15820,N#Cc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)c1,SXPVXGRBRUILHQ-UHFFFAOYSA-N,3,1,0.44,20,658,421.424,2.531,5,0.406,0.7,1.0,0.5474864642587897,0.4764923583030635,0.35042149270098005,0.3752056061956,0.4374014803646083
EOS-3-15821,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nncs5)c4)n23)c(F)c1,VLDJBMUWXKVTDS-UHFFFAOYSA-N,3,1,0.462,16,656,462.47,2.783,5,0.409,0.67,1.0,0.47143787266122955,0.4234545267630731,0.3389760811459119,0.24229833458981564,0.36904170379000756
EOS-3-15822,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)ccn1,FUOWIXKGQVYVPA-UHFFFAOYSA-N,3,1,0.461,46,160,429.871,4.184,5,0.387,0.78,1.0,0.4066119525735042,0.46763415804262903,0.5732129394832431,0.5602768830100747,0.5019339832773628
EOS-3-15823,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)cnc5F)n34)c2)cn1,DGYASDWWKJEZEM-UHFFFAOYSA-N,3,1,0.494,16,55,435.85,3.958,5,0.389,0.77,1.0,0.6401206223014186,0.5927797957645123,0.7993968884929066,0.7758207113974368,0.7020295044890686
EOS-3-15824,Fc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ncncn1,FCVVCFMMTYZKMZ-UHFFFAOYSA-N,3,1,0.53,16,55,434.822,3.41,5,0.387,0.71,1.0,0.9608234528133781,0.9032622849701871,0.7012798985676102,0.7027105750119937,0.8170190528407922
EOS-3-15825,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Cl)cn1,IQSWIAKFOKLZLM-UHFFFAOYSA-N,3,1,0.6,36,728,454.281,3.263,5,0.398,0.68,1.0,0.7608885614419848,0.8419145363580289,0.34257418956891234,0.5206548557329861,0.616508035775478
EOS-3-15826,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cncc(Cl)c5)c4)n23)cn1,CQOQCPSSRQMVNE-UHFFFAOYSA-N,3,1,0.304,86,151,454.885,3.488,6,0.401,0.71,0.999,0.03612672195188815,0.13656534850250154,0.35425947501884725,0.39711979987663626,0.2310178363374683
EOS-3-15827,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nc2)nn1,OETSTTJQNPMYPU-UHFFFAOYSA-N,3,1,0.375,93,74,448.465,4.455,6,0.396,0.78,1.0,0.09497292851757932,0.262584812555685,0.6878812281543417,0.7243591940237133,0.44244954081282983
EOS-3-15828,N#Cc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(F)cn4)n23)ccc1F,DBKIWZHLVBWUQD-UHFFFAOYSA-N,3,1,0.446,59,348,441.401,3.977,5,0.407,0.7,1.0,0.8771502981289836,0.77547803440477,0.8858799945171681,0.8710934822835995,0.8524004523336303
EOS-3-15829,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nc2)nc1,FQLOCTIWPIYUEQ-UHFFFAOYSA-N,3,1,0.423,18,954,432.394,2.938,5,0.377,0.7,1.0,0.7492718113905832,0.7268436022205469,0.3730124734425331,0.3752141731204167,0.55608551504352
EOS-3-15830,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5F)n4C)n23)cc1,WVYFTPBBTAVTCS-UHFFFAOYSA-N,3,1,0.325,8,474,470.447,3.328,6,0.389,0.72,1.0,0.15109485299157013,0.3282674251250771,0.30234391062984034,0.39137996024946886,0.29327153724898913
EOS-3-15831,CCc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(Cl)c4)n23)cnc1F,CIEWVEQKCMSLKL-UHFFFAOYSA-N,3,1,0.357,90,129,410.84,3.568,4,0.52,0.87,1.0,0.3291155506819272,0.3236669864985265,0.6609125488314714,0.610067850044548,0.4809407340141183
EOS-3-15832,N#Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ncn2)cn1,ZEDKHYXTTCCTLF-UHFFFAOYSA-N,3,1,0.33,44,238,427.815,3.356,5,0.424,0.67,0.984,0.6033599479130971,0.6254968816393668,0.5053543280104174,0.5105116167500514,0.5611806935782332
EOS-3-15833,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)cn2)cn1,RUKNKJIESCQKFR-UHFFFAOYSA-N,3,1,0.333,42,392,449.453,3.85,6,0.377,0.73,1.0,0.10735213487766432,0.24234116921389898,0.6169128229730656,0.5763570008909602,0.3857407819888973
EOS-3-15834,CCOc1ncccc1COc1cncc2nnc(-c3cc(-c4ccsc4)ccn3)n12,FFGFPDSJFQOWKG-UHFFFAOYSA-N,3,1,0.433,18,160,430.493,4.288,5,0.381,0.82,0.978,0.34592385717222945,0.17135563018298952,0.342582756493729,0.2509337948050168,0.2776990096634912
EOS-3-15835,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,YYLICZPSXVUPFU-UHFFFAOYSA-N,3,1,0.329,25,791,465.908,4.364,6,0.381,0.82,1.0,0.21195428688917825,0.3812795558906175,0.48477657460078133,0.6037540264546638,0.4204411109588102
EOS-3-15836,Cc1ncc(-c2cnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)nc2C)cn1,CWMUHEJGSHIDOH-UHFFFAOYSA-N,3,1,0.444,51,113,429.419,2.768,5,0.389,0.71,1.0,0.6228325680213831,0.46344493180727847,0.22981632513193065,0.16812589952710574,0.3710549311219245
EOS-3-15837,FCc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)c1,RMFQSAOTZNYOIT-UHFFFAOYSA-N,3,1,0.505,18,367,427.443,3.734,5,0.391,0.73,1.0,0.5296415598656706,0.40040949900623674,0.484785141525598,0.4510314577479268,0.466466914536358
EOS-3-15838,COc1cc(-c2ncn(C)n2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,YMNWSAOHZNXSAG-UHFFFAOYSA-N,3,1,0.516,15,771,446.446,2.751,5,0.376,0.69,1.0,0.5090038379823179,0.4456599958878761,0.37693612500856694,0.25993763278733467,0.39788439791652386
EOS-3-15839,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)c1,UUSDUTSJYKUIKR-UHFFFAOYSA-N,3,1,0.256,64,449,445.49,4.019,6,0.404,0.71,1.0,0.059540127475841274,0.023524775546569805,0.2915153176615722,0.2897590980741553,0.16608482968953464
EOS-3-15840,Cc1cccc(-c2ncsc2-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)c1,AGCMVVZGFCUHKC-UHFFFAOYSA-N,3,1,0.308,10,620,437.492,3.866,6,0.413,0.71,1.0,0.0012764717976835036,0.0017305188129668975,0.17512507710232336,0.22441916249742994,0.10063780755260093
EOS-3-15841,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)nn2C)cc1F,KPRRAGCHHIHMIV-UHFFFAOYSA-N,3,1,0.479,95,493,430.447,3.051,5,0.408,0.72,1.0,0.4409567541635255,0.3429340004112124,0.402594064834487,0.3657562881228154,0.3880602768830101
EOS-3-15842,FCc1cc(-c2nnc3cncc(OCc4ncn(-c5cccnc5)n4)n23)ccc1Cl,IWUPFVAJMWWVPF-UHFFFAOYSA-N,3,1,0.457,16,975,436.838,3.469,5,0.402,0.71,1.0,0.4455828935645261,0.5354071002672881,0.49144164210814884,0.5308494962648208,0.500820283051196
EOS-3-15843,FC(F)c1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)cn1,JUDWTXVVXPYEQA-UHFFFAOYSA-N,3,1,0.5,65,454,447.409,2.992,5,0.371,0.7,1.0,0.6457233911315194,0.654941402234254,0.3652594064834487,0.2807895277911041,0.48667843191008153
EOS-3-15844,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnn(C)c5)n4)n23)cn1,HUHIOTBPBUPCLC-UHFFFAOYSA-N,3,1,0.333,50,974,426.444,1.746,5,0.426,0.66,1.0,0.0542886025632239,0.02353334247138647,0.03971626345007196,0.013441505037351793,0.03274492838050853
EOS-3-15845,FC(F)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5Cl)n4)n23)cn1,MXNGTRDEWJBFGM-UHFFFAOYSA-N,3,1,0.365,22,681,424.802,4.025,5,0.433,0.71,0.648,0.0420207662257556,0.32367555342334314,0.7244105955726132,0.7828884243711877,0.4682488348982249
EOS-3-15846,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)nc2)nn1,BECWXEBYJSILOV-UHFFFAOYSA-N,3,1,0.317,70,14,446.478,3.414,6,0.405,0.69,1.0,0.06133918168734151,0.06317250359810843,0.2406363511753821,0.19817010485915976,0.14082953532999795
EOS-3-15847,Cn1nncc1-c1ccc(-c2nnc3cncc(COc4ccncc4F)n23)c(F)c1,XPVMXNRBAHIMGK-UHFFFAOYSA-N,3,1,0.39,85,79,420.383,2.839,5,0.431,0.71,1.0,0.42253786580768965,0.4190682612569392,0.637404907134535,0.6100764169693647,0.5222718627921321
EOS-3-15848,Cc1nc(-c2ccccn2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,UQGFPTTWDHGCHS-UHFFFAOYSA-N,3,1,0.467,18,578,444.886,3.622,5,0.366,0.75,1.0,0.6855852923034748,0.5778904804331437,0.2655147008429854,0.2926889863614557,0.4554198649852649
EOS-3-15849,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)o1,VCWXQOLNQDBHCW-UHFFFAOYSA-N,3,1,0.348,38,865,423.396,3.262,6,0.416,0.7,1.0,0.22564423274621342,0.12628503872250016,0.1114299910903982,0.11557638270166541,0.14473391131519428
EOS-3-15850,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nn1,OHVLGLWDHQIJLL-UHFFFAOYSA-N,3,1,0.31,10,37,436.414,3.03,6,0.414,0.63,1.0,0.013741347405935165,0.16331128778013845,0.3504300596257967,0.4162240422178055,0.23592668425741894
EOS-3-15851,COc1ccccc1-c1nnc2cncc(OCc3ncc(-c4cc(C)nn4C)cn3)n12,JNMXAWWNJNCGNH-UHFFFAOYSA-N,3,1,0.535,51,946,428.456,2.878,5,0.407,0.73,1.0,0.2686930299499692,0.11919162497429922,0.16841717497087247,0.08277362757864437,0.1597688643684463
EOS-3-15852,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ncn4)n23)nc1,WBJFDHOLPMJCQU-UHFFFAOYSA-N,3,1,0.375,33,53,457.429,2.116,5,0.381,0.66,0.995,0.40439311904598724,0.2571790829963676,0.2728137207867864,0.16813446645192243,0.27563009732026594
EOS-3-15853,Clc1ccccc1Cn1nnc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)n1,RPQFQUKEPUCBPP-UHFFFAOYSA-N,3,1,0.289,39,972,467.884,2.998,6,0.376,0.72,0.88,0.1205023644712494,0.14784798848605304,0.06454321156877527,0.18467719827290796,0.12939269069974643
EOS-3-15854,COc1nc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCc3ccc(F)c(C)n3)n12,FDZLUDNTHKIQLW-UHFFFAOYSA-N,3,1,0.457,92,860,446.446,3.017,5,0.392,0.72,0.999,0.39389006922075254,0.3669642245219656,0.31328387362072513,0.17364299910903983,0.31194529161812073
EOS-3-15856,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4ccnc(CO)c4)n23)ccc1F,JIJUJVVOQAMZDT-UHFFFAOYSA-N,3,1,0.511,16,253,445.458,3.106,5,0.428,0.72,0.957,0.4890086354602152,0.4992032759920499,0.6312367212665342,0.4971215132615996,0.5291425364950997
EOS-3-15857,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C#N)nc5)nc4)n23)cc1,NAANRMMWPHRLFG-UHFFFAOYSA-N,3,1,0.313,38,762,455.485,4.187,6,0.392,0.72,1.0,0.23670413268453155,0.14785655541086973,0.6436244945514358,0.5857206497155781,0.40347645809060384
EOS-3-15858,COc1nccc(-c2cccc(COc3cncc4nnc(-c5ccc(C)c(F)c5)n34)c2)n1,FGKQXQHMZKHRKW-UHFFFAOYSA-N,3,1,0.484,1,230,442.454,4.283,5,0.388,0.78,1.0,0.9036991981358372,0.7361729833458982,0.7165547255157289,0.582782194503461,0.7348022753752312
EOS-3-15859,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(N)=O)nn5)n34)ccc2F)cn1,JUFBCQLCQPIXMC-UHFFFAOYSA-N,3,1,0.406,53,587,446.406,1.194,5,0.405,0.65,0.986,0.3189209101500925,0.21170584606949489,0.06857823315742581,0.05155575354670688,0.16269018573093003
EOS-3-15860,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cnccn5)cn4)n23)nc1,XGNCSWASGBGMCQ-UHFFFAOYSA-N,3,1,0.386,64,443,447.437,3.906,6,0.4,0.7,1.0,0.22565279967103008,0.38589712836680146,0.5261719553149201,0.5827907614282777,0.4301281611952574
EOS-3-15861,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)cn1,HTIHYFBVAIOSNA-UHFFFAOYSA-N,3,1,0.465,55,980,450.865,3.662,5,0.403,0.72,1.0,0.5138784182030018,0.5399133027208554,0.5532605715852238,0.5308580631896375,0.5344775889246796
EOS-3-15862,Cc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)o5)n34)c2)nn1,CWBAABLRQPKVSP-UHFFFAOYSA-N,3,1,0.402,33,53,468.477,3.016,6,0.382,0.74,0.913,0.0686896031800425,0.006613665958467549,0.05669590843670756,0.05284079226920704,0.046209992461106165
EOS-3-15863,COCc1ccc(-c2cc(COc3cncc4nnc(-c5ccncc5)n34)c(F)cn2)nn1,LWUAXVIKFFZUIJ-UHFFFAOYSA-N,3,1,0.461,24,241,444.43,2.903,5,0.374,0.69,1.0,0.5372061544787883,0.4808871907340141,0.43529401685970803,0.3555959152902474,0.45224581934068947
EOS-3-15864,Cc1n[nH]c(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)n1,ARHGEGATIBRXRW-UHFFFAOYSA-N,3,1,0.277,98,615,451.429,2.938,6,0.429,0.65,0.996,0.21448152971009526,0.2319837571105476,0.25129360564731684,0.2988571722294565,0.24915401617435406
EOS-3-15865,CN(C)Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cncnc5)ncn4)n23)cn1,ROZARUZBLDXXJP-UHFFFAOYSA-N,3,1,0.322,85,290,424.472,2.086,5,0.404,0.67,1.0,0.13439791652388458,0.08116304571311082,0.1314166266876842,0.07178226303885957,0.10468996299088479
EOS-3-15866,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nn2C)cn1,PZOJJMQDSYZITM-UHFFFAOYSA-N,3,1,0.424,53,694,433.863,2.918,5,0.416,0.7,1.0,0.23380851209649783,0.3086491672949078,0.19115379343430883,0.18723870879309162,0.23021254540470154
EOS-3-15867,Fc1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cn2)ccn1,ALLRGHKWRVTCCF-UHFFFAOYSA-N,3,1,0.347,86,989,438.386,2.894,6,0.378,0.71,1.0,0.32649407168802685,0.33282502912754436,0.2691385100404359,0.2866150366664382,0.30376816188061134
EOS-3-15868,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)nn5)ccc4F)n23)nn1,JOJUWJYCXHNVLQ-UHFFFAOYSA-N,3,1,0.409,53,785,439.414,2.937,5,0.406,0.68,0.999,0.7035501336440272,0.722251730518813,0.5195325885820026,0.48792920293331504,0.6083159139195394
EOS-3-15869,c1cc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6nncs6)c5)n34)cn2)ccn1,BTZNDNUXKRLXQL-UHFFFAOYSA-N,3,1,0.307,70,723,435.476,3.829,6,0.411,0.69,1.0,0.06663354122404222,0.1517716400520869,0.2987286683572065,0.3236498526488932,0.21019592557055722
EOS-3-15870,c1coc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)n1,SJELGBJCPVTLIF-UHFFFAOYSA-N,3,1,0.442,56,425,438.411,2.6,6,0.412,0.65,1.0,0.4295627441573573,0.3236841203481598,0.14062607086560208,0.11558494962648208,0.2523644712494003
EOS-3-15871,CCc1ncccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nc(C)no5)nc4)n23)nn1,OMRNHLQDLXSTJT-UHFFFAOYSA-N,3,1,0.268,86,312,451.454,2.75,6,0.384,0.69,1.0,0.04344287574532246,0.07759920498937702,0.02720855321773696,0.02210266602700295,0.042588324994859844
EOS-3-15872,Cc1cnc(-c2nn(C)cc2-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,JTLSXPYTFOEONT-UHFFFAOYSA-N,3,1,0.315,98,882,449.482,2.753,6,0.403,0.65,1.0,0.047769172777739705,0.028330820368720443,0.09845109999314645,0.08114591186347749,0.06392425125077102
EOS-3-15873,Clc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3cn(-c4ccccc4)nn3)n12,TWEHKHCRDBDBAF-UHFFFAOYSA-N,3,1,0.337,10,39,441.842,3.742,6,0.406,0.71,1.0,0.030986567061887463,0.1885751490644918,0.3843722157494346,0.49400315262833255,0.2744842711260366
EOS-3-15874,N#Cc1ccc(-c2nnc3cncc(COc4ccnc(-c5ccc(F)nc5)n4)n23)cc1,TYANXKDGIAWQEI-UHFFFAOYSA-N,3,1,0.432,14,351,424.399,3.233,5,0.395,0.73,1.0,0.6914536358028922,0.7409019258446988,0.6523027893907203,0.6133232814748818,0.6744954081282983
EOS-3-15875,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)cc5)[nH]4)n23)cc1,NCRAFEIYASYLPH-UHFFFAOYSA-N,3,1,0.385,67,642,438.43,3.178,6,0.449,0.63,1.0,0.20914433554931122,0.352511822356247,0.33898464807072853,0.41623260914262217,0.3292183537797272
EOS-3-15876,Cc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nnc(C)o6)cn5)n34)cn2)nc1,HEONDFJPVMIMJQ-UHFFFAOYSA-N,3,1,0.274,70,652,448.45,3.372,6,0.395,0.68,0.997,0.09254848879446234,0.09079226920704545,0.11441984785141526,0.09786854910561305,0.09890728873963403
EOS-3-15877,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)cc1,GCVUYHDOSQVLMA-UHFFFAOYSA-N,3,1,0.613,35,559,433.422,3.487,5,0.408,0.67,1.0,0.9290230278939072,0.7840535261462546,0.6634483585772051,0.6191402234253992,0.7489162840106915
EOS-3-15878,COc1ncc(F)cc1COc1cncc2nnc(-c3cccc(-c4ccc(F)cn4)c3)n12,IQIQCBFXXDRGLR-UHFFFAOYSA-N,3,1,0.5,97,666,446.417,4.114,5,0.388,0.76,1.0,0.8531372078678637,0.6889349599067919,0.7661572202042355,0.6858765677472415,0.7485264889315332
EOS-3-15879,Cc1nc(-c2nc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)n[nH]2)ncc1F,KMFANNYDLXMWBQ-UHFFFAOYSA-N,3,1,0.232,86,165,452.417,2.333,6,0.422,0.64,0.885,0.16726920704543896,0.24234973613871566,0.07074566513604276,0.09385066136659585,0.1435538174216983
EOS-3-15880,Cc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cnc(Cl)cn5)n4)n23)cn1,DPHZDZTUPLBUGR-UHFFFAOYSA-N,3,1,0.424,51,48,449.837,3.113,5,0.398,0.69,1.0,0.757684531560551,0.8314714550065109,0.25484887944623397,0.28079809471592077,0.5312007401823042
EOS-3-15881,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncn6C)cc5)n34)cn2)n1,CJSQVLILHDGSFC-UHFFFAOYSA-N,3,1,0.307,42,369,435.451,3.612,6,0.413,0.69,1.0,0.1565605510246042,0.0908008361318621,0.24765266260023303,0.2244277294222466,0.17986044479473648
EOS-3-15882,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cncn1C,UBRGCBUQWOGEIX-UHFFFAOYSA-N,3,1,0.511,35,982,445.458,3.356,5,0.379,0.7,1.0,0.7097354533616613,0.5081557124254678,0.6312452881913508,0.4758412720169968,0.5812444314988692
EOS-3-15883,Cc1cncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)nc4)n23)c1,CNIOFJHLPVGSSJ-UHFFFAOYSA-N,3,1,0.263,86,953,444.462,3.471,6,0.402,0.68,1.0,0.13440648344870126,0.03424199849222123,0.16207765060653828,0.17365156603385648,0.1260944246453293
EOS-3-15884,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cc1,GIFILVDWZVRWKL-UHFFFAOYSA-N,3,1,0.301,98,890,439.418,2.369,6,0.384,0.66,1.0,0.005885477349050785,0.1226612295250497,0.24064491810019875,0.27175998903433624,0.16023790350215888
EOS-3-15885,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)cc1F,MVJQWVVERKQDIB-UHFFFAOYSA-N,3,1,0.523,37,795,451.853,2.791,5,0.387,0.66,1.0,0.7312041669522308,0.7084332807895278,0.22249160441367966,0.28383935302583785,0.48649210129531906
EOS-3-15886,COc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1ncc(F)cn1,WCQUIFRRYGYOJZ-UHFFFAOYSA-N,3,1,0.541,13,573,467.823,4.376,5,0.375,0.81,1.0,0.8956291549585361,0.792577616338839,0.690656911794942,0.6885922829141251,0.7668639915016107
EOS-3-15887,Cc1nccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)n1,YXZXZTSVPMDCNL-UHFFFAOYSA-N,3,1,0.304,98,882,436.443,1.933,6,0.407,0.65,1.0,0.007941539305051058,0.012053663217051607,0.03426769926667123,0.028373654992803782,0.02065913919539442
EOS-3-15888,c1cncc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)c1,JBJYSPKJUWIPFC-UHFFFAOYSA-N,3,1,0.315,42,723,419.408,3.36,6,0.423,0.77,1.0,0.1480450277568364,0.1404890000685354,0.2086388869851278,0.24501404975669933,0.18554674114179975
EOS-3-15889,Cc1cncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)c2)c1F,DRIKLSWNFDCAOQ-UHFFFAOYSA-N,3,1,0.274,86,967,450.441,3.543,6,0.433,0.66,0.999,0.23671269960934824,0.31372078678637516,0.5195411555068192,0.4971300801864163,0.3917761805222397
EOS-3-15890,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,CRQXJLOTWVYOLG-UHFFFAOYSA-N,3,1,0.534,26,161,433.422,3.487,5,0.408,0.68,1.0,0.6200568843807827,0.5125248440819683,0.7728908231101363,0.732540607223631,0.6595032896991296
EOS-3-15891,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)nc1,UMRMSVRUCASMRM-UHFFFAOYSA-N,3,1,0.275,38,725,420.44,3.039,6,0.466,0.69,1.0,0.044976355287505994,0.06689911589335892,0.2915238845863889,0.2866236035912549,0.1725057398396272
EOS-3-15893,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)nc1,OWHOHFBXLBNYEN-UHFFFAOYSA-N,3,1,0.392,31,779,451.853,2.791,5,0.387,0.67,1.0,0.5975258721129464,0.5589404427386745,0.21901343293811254,0.2599461997121513,0.40885648687547116
EOS-3-15894,OCc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)ccn1,NDNHYXWAFMJTGT-UHFFFAOYSA-N,3,1,0.512,97,300,429.415,2.854,5,0.439,0.69,1.0,0.8461123295181961,0.6988040572955931,0.6137430607908985,0.5271143170447536,0.6714434411623603
EOS-3-15895,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,LQWUEOUOPJCGNJ-UHFFFAOYSA-N,3,1,0.329,9,898,430.475,4.316,6,0.414,0.74,1.0,0.11238948666986498,0.0705229250908094,0.5017733534370502,0.5173908573778356,0.3005191556438901
EOS-3-15896,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5nnn(C)n5)cn4)n23)cc1,QFADWQIVYWBQFV-UHFFFAOYSA-N,3,1,0.362,74,333,413.405,0.798,5,0.452,0.8,1.0,0.15375916660955383,0.04068432595435542,0.021922760605852923,0.009449318072784593,0.05645389281063669
EOS-3-15897,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)nc(C)n2)cn1,UGQFBIVBPVVHOY-UHFFFAOYSA-N,3,1,0.375,44,500,431.406,4.331,5,0.418,0.74,1.0,0.6200654513055993,0.6019549722431636,0.6906654787197588,0.630594201905284,0.6358200260434514
EOS-3-15898,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)nc1,JCHAOPFEMKZTMY-UHFFFAOYSA-N,3,1,0.254,86,892,437.402,2.425,6,0.409,0.63,0.986,0.017939140566102393,0.109990747721198,0.2086474539099445,0.27796244260160374,0.15363494619971216
EOS-3-15899,Fc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)n[nH]2)c1,PEIVKAOHOUMAHN-UHFFFAOYSA-N,3,1,0.5,13,573,425.786,4.3,5,0.461,0.79,1.0,0.6612380919745048,0.5537917209238572,0.897719484613803,0.9266242889452402,0.7598433966143513
EOS-3-15900,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cn2)n(C)n1,YJZCLCTZXPOHRC-UHFFFAOYSA-N,3,1,0.346,10,871,452.457,3.282,6,0.404,0.67,0.88,0.02501542046467,0.19753615242272635,0.2406534850250154,0.2662343225275855,0.1823598451099993
EOS-3-15901,Oc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2)cc1,HVZDMESXQCCXDV-UHFFFAOYSA-N,3,1,0.506,1,19,430.855,4.186,5,0.446,0.7,1.0,0.8509697758892468,0.8279504489068604,0.6580597628675211,0.6831094510314577,0.7550223596737715
EOS-3-15902,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)ncn1,IMXHURYQIHFADT-UHFFFAOYSA-N,3,1,0.647,88,732,444.445,4.456,5,0.385,0.78,1.0,0.8621410458501816,0.8085977657460078,0.8415889932149956,0.8143033376739086,0.8316577856212733
EOS-3-15903,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)cc1F,BQZWPMOXKYSPST-UHFFFAOYSA-N,3,1,0.654,84,360,430.418,4.148,5,0.403,0.77,1.0,0.8686090740867658,0.8125813857857583,0.8529144678226304,0.8403639229662121,0.8436172126653416
EOS-3-15904,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ncc(-c5ccnc(Cl)c5)nn4)n23)cc1,ROZAONHZPJHYDV-UHFFFAOYSA-N,3,1,0.561,72,996,468.811,4.085,5,0.34,0.83,1.0,0.8192036186690426,0.8698084435610993,0.8032091700363237,0.7828969912960044,0.8187795558906175
EOS-3-15905,Cn1cc(CCOc2cncc3nnc(-c4cccc(-c5ncc(Cl)cn5)c4)n23)cn1,IKPRNIWDTJYWFY-UHFFFAOYSA-N,3,1,0.573,15,921,432.875,3.257,5,0.406,0.68,1.0,0.5347988486053047,0.572519018573093,0.3171646905626756,0.32365841957370983,0.4370352443286957
EOS-3-15906,Cc1c(Cl)cncc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3F)n12,JBWWGTAJMNXZQH-UHFFFAOYSA-N,3,1,0.317,50,917,421.827,3.145,5,0.441,0.71,0.998,0.21738571722294564,0.3716931670207662,0.40260263175930366,0.5271228839695703,0.37970109999314644
EOS-3-15907,Cn1cc(-c2cnc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)nc2)cn1,CAPIUWYOOIPACX-UHFFFAOYSA-N,3,1,0.213,86,249,422.416,1.624,6,0.416,0.7,1.0,0.0002056061956000274,0.001387841820300185,0.11747824001096567,0.09997601261051332,0.054761925159344804
EOS-3-15908,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)nc2)cnn1,FRJFDQAHFMZVJR-UHFFFAOYSA-N,3,1,0.25,42,339,430.435,3.162,6,0.415,0.66,1.0,0.09036392296621205,0.05534233431567404,0.4353025837845247,0.44801590021245974,0.2572561853197176
EOS-3-15909,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)c1,YLWMVGOBUVANMN-UHFFFAOYSA-N,3,1,0.476,51,196,436.838,3.353,5,0.417,0.67,1.0,0.8439534644643959,0.7222602974436296,0.532879857446371,0.5442567336029059,0.6608375882393256
EOS-3-15910,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5nc(C#N)cs5)n34)c2)cc1=O,BIOZJROGSAPVMQ-UHFFFAOYSA-N,3,1,0.473,4,506,442.464,2.459,5,0.407,0.72,1.0,0.37806695908436705,0.3137293537111918,0.22250017133849634,0.19541155506819272,0.27742700980056195
EOS-3-15911,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(Cc5ccc(Cl)nc5)n34)c2)cn1,STIUVSDLXVQIHM-UHFFFAOYSA-N,3,1,0.327,85,81,431.862,4.335,5,0.394,0.76,1.0,0.3189294770749092,0.3859056952916181,0.7544548009046672,0.7734648070728531,0.558188695086012
EOS-3-15912,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)nn1,YDXSHXWWDMDYOM-UHFFFAOYSA-N,3,1,0.4,53,128,431.847,2.974,5,0.413,0.63,1.0,0.46429305736412857,0.6302172572133506,0.2154838599136454,0.23941128092659858,0.3873513638544308
EOS-3-15913,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5COC)cc4)n23)cc1,IVFFPUKXHQIDEX-UHFFFAOYSA-N,3,1,0.346,0,901,484.56,3.459,5,0.431,0.84,1.0,0.07873860598999383,0.0037951476937838394,0.036897745185388256,0.054194366390240556,0.04340646631485162
EOS-3-15914,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c(F)c1,HNEAFMWBMWOOGO-UHFFFAOYSA-N,3,1,0.522,65,393,427.443,3.712,5,0.408,0.77,1.0,0.6855938592282914,0.6740713453498732,0.5764855047632101,0.5206634226578027,0.6142035329997945
EOS-3-15915,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cn2)nc1,SHUKULXNZGWKRL-UHFFFAOYSA-N,3,1,0.288,76,557,429.447,3.767,6,0.417,0.68,1.0,0.10490199438009733,0.12629360564731684,0.2441230895757659,0.26624288945240215,0.18539039476389557
EOS-3-15916,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)n1,XNNZOXQBBXHBGV-UHFFFAOYSA-N,3,1,0.338,38,983,449.453,3.85,6,0.403,0.69,1.0,0.22859125488314713,0.2166232609142622,0.3652679734082654,0.36253512439174834,0.29325440339935577
EOS-3-15917,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)nc1,AREJUTMDBZYUHC-UHFFFAOYSA-N,3,1,0.42,28,297,444.458,4.498,6,0.383,0.79,1.0,0.5040007538893838,0.4050270714824207,0.45683983277362755,0.40987595092865464,0.4439359022685217
EOS-3-15918,COC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5ncnn5C)c4)n23)nc1,SRJKRUOSYKSKNU-UHFFFAOYSA-N,3,1,0.317,33,60,427.428,1.754,5,0.386,0.7,0.288,0.05776677403879103,0.03713761908025495,0.06858680008224248,0.031140771708587485,0.048657991227468986
EOS-3-15919,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c(=O)c5)c(F)c4)n23)n(C)n1,NXYNAZBEOAECIQ-UHFFFAOYSA-N,3,1,0.462,36,470,446.446,2.312,5,0.408,0.65,1.0,0.4385408813652251,0.4190768281817559,0.3059591529024741,0.245022616681516,0.35214986978274276
EOS-3-15920,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)cc1,XIFILAZHFPDZBD-UHFFFAOYSA-N,3,1,0.315,94,566,430.435,3.162,6,0.415,0.67,0.977,0.1097765746007813,0.0970032896991296,0.28051538619697075,0.31460318004249194,0.2004746076348434
EOS-3-15921,c1cncc(-c2cnc(-c3cncc4nnc(-c5cccnc5-c5cncnc5)n34)nc2)c1,NBYDKHMCAWQICO-UHFFFAOYSA-N,3,1,0.281,94,165,430.435,3.162,6,0.415,0.67,1.0,0.0787471729148105,0.08117161263792749,0.2406620519498321,0.27479268041943666,0.16884337948050168
EOS-3-15922,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnn5)n4)n23)cc1,AHYFKXKKIIDKIY-UHFFFAOYSA-N,3,1,0.42,85,357,457.885,2.642,5,0.427,0.6,1.0,0.1981101363854431,0.20227366184634363,0.2298248920567473,0.21879925981769585,0.21225198752655747
EOS-3-15923,Cc1ncc(-c2ncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)cn1,SZQUEZZETWMORT-UHFFFAOYSA-N,3,1,0.506,65,631,445.874,3.017,5,0.388,0.66,1.0,0.7400538002878487,0.7315639777945309,0.18466863134809128,0.1981786717839764,0.4636162703036118
EOS-3-15924,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c(F)c2)nn1,DPAHABPFBHMTSY-UHFFFAOYSA-N,3,1,0.38,13,706,433.834,4.537,5,0.411,0.77,1.0,0.679571311082174,0.8086063326708245,0.6878897950791584,0.697082105407443,0.7182873860599
EOS-3-15925,c1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnccn6)nn5)n34)nn2)cc1,RFUPSCFJNPVUDU-UHFFFAOYSA-N,3,1,0.354,10,37,419.412,2.286,6,0.423,0.75,0.81,0.0012850387225001713,0.0038037146186005073,0.08430710712082791,0.13773045027756836,0.05678157768487424
EOS-3-15926,Fc1cc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)ncn1,ZMQNTOMYHVLIBL-UHFFFAOYSA-N,3,1,0.593,97,232,439.863,4.076,5,0.381,0.77,1.0,0.9378897950791584,0.9332807895277911,0.49828661503666644,0.5887704749503119,0.7395569186484819
EOS-3-15927,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)cc5)n4)n23)c(C(F)F)c1,JLMLUZGFOKNVMS-UHFFFAOYSA-N,3,1,0.35,29,704,462.395,3.486,5,0.424,0.68,0.936,0.3364402714001782,0.4718747858268796,0.742623877732849,0.6886008498389418,0.5598849461997122
EOS-3-15928,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)ccn5)no4)n23)cc1,WFLBEKJGRZYVRB-UHFFFAOYSA-N,3,1,0.338,98,882,440.402,2.838,6,0.407,0.65,1.0,0.20637721883352753,0.27788534027825373,0.1463744774175862,0.190040093208142,0.20516928243437735
EOS-3-15929,Fc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)nc1,GZBOFRVDHHLOAW-UHFFFAOYSA-N,3,1,0.463,13,995,421.342,3.853,5,0.435,0.74,1.0,0.7576930984853677,0.7840620930710712,0.8351209649784114,0.8403724898910288,0.8043121616064697
EOS-3-15930,COc1cnc(-c2cncc3nnc(-c4nccnc4-c4cccc(Cl)c4)n23)cn1,SYIVSVVHEIPKQZ-UHFFFAOYSA-N,3,1,0.337,39,972,416.832,3.367,5,0.439,0.79,1.0,0.4617058460694949,0.4808957576588308,0.27282228771160305,0.3461208964430128,0.3903861969707354
EOS-3-15931,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnco5)n4)n23)cc1,IGBNWRNHZPSBBJ-UHFFFAOYSA-N,3,1,0.343,98,865,422.412,2.699,6,0.421,0.67,1.0,0.11537077650606538,0.05147865122335686,0.11748680693578233,0.12245562332944966,0.10169796449866356
EOS-3-15932,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCc4cccc(F)c4F)n23)nc1,BMUAHFUYFQGRGO-UHFFFAOYSA-N,3,1,0.462,59,910,431.406,3.809,5,0.418,0.69,0.996,0.7724796107189363,0.644703927078336,0.7323692687272977,0.7082619422931944,0.7144536872044411
EOS-3-15933,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c2)nn1,TXQWNUSREKEHDI-UHFFFAOYSA-N,3,1,0.494,59,16,431.406,3.809,5,0.418,0.69,1.0,0.6144455486258653,0.6068038516893975,0.772899390034953,0.7404478788294154,0.6836491672949079
EOS-3-15934,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(C)ncn5)cc4Cl)n23)cc1F,DFRDQSOXBLFTES-UHFFFAOYSA-N,3,1,0.33,96,648,473.899,4.376,5,0.416,0.79,1.0,0.34339661435131247,0.37658488109108357,0.7612569392091015,0.7163919539442122,0.5494075971489274
EOS-3-15935,Cc1ccc(COc2ccc(F)cc2-c2cncc3nnc(-c4cnc(C)cn4)n23)cc1,CRLLYVPYJWYENT-UHFFFAOYSA-N,3,1,0.361,96,586,426.455,4.583,5,0.409,0.82,1.0,0.44559146048934273,0.44999485984511,0.754463367829484,0.6915478719758755,0.585399390034953
EOS-3-15936,Cc1ccc(-c2cc(C#N)cc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)nn1,DXQWMFHSRRIPAX-UHFFFAOYSA-N,3,1,0.5,15,361,435.451,2.84,5,0.395,0.66,1.0,0.8394129943115619,0.6447124940031527,0.42775512302104035,0.36878897950791584,0.5701673977109177
EOS-3-15937,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccn(C)n5)cc4F)n23)cc1,ITAKQHXIHQWBDE-UHFFFAOYSA-N,3,1,0.484,89,637,471.496,3.66,5,0.389,0.75,1.0,0.5576811047906244,0.37170173394558287,0.5596943321225413,0.3913885271742855,0.4701164245082585
EOS-3-15938,CCn1c(-c2ncon2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,HMVKYNACXFSNRJ-UHFFFAOYSA-N,3,1,0.308,8,342,437.427,2.577,6,0.395,0.66,0.836,0.08518093345212803,0.04789767664998972,0.00797580700431773,0.016165787129052155,0.03930505105887191
EOS-3-15939,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnncn5)n4)n23)ccc1Cl,SEAMYLKKNBHNSY-UHFFFAOYSA-N,3,1,0.489,4,32,459.832,3.281,5,0.388,0.7,0.973,0.8220392707833596,0.9098759509286547,0.7271520115139469,0.7483208827359331,0.8018470289904736
EOS-3-15940,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5noc(C)n5)cnn4)n23)nc1,UUHLHKNBUWWCBD-UHFFFAOYSA-N,3,1,0.398,33,53,444.415,1.273,5,0.402,0.66,1.0,0.29037591666095536,0.1263021725721335,0.024998286615036665,0.007290453018984305,0.11224170721677745
EOS-3-15941,Cc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)cn1,GSDAQJZURBIOBV-UHFFFAOYSA-N,3,1,0.4,33,53,479.504,2.818,6,0.374,0.83,1.0,0.28213453498732094,0.12266979644986635,0.07298163251319306,0.06157905558220821,0.13484125488314713
EOS-3-15942,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnccn6)nc5)n34)nc2)ccn1,JPASSAZXZXRGDZ-UHFFFAOYSA-N,3,1,0.272,86,459,448.425,3.301,6,0.374,0.69,1.0,0.26069152217120145,0.31901514632307587,0.40622644095675414,0.4226406689054897,0.3521434445891303
EOS-3-15943,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)nn2)o1,KMPTXPINEIBWCX-UHFFFAOYSA-N,3,1,0.278,76,14,435.411,2.459,6,0.402,0.65,0.983,0.08766534164896168,0.0877681447467617,0.0342762661914879,0.042397710917688985,0.06302686587622507
EOS-3-15944,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)nc1,MSNPWRXKAIUVFE-UHFFFAOYSA-N,3,1,0.329,32,479,446.449,4.511,6,0.393,0.77,1.0,0.3504129257761634,0.38128812281543417,0.592043040230279,0.6100849838941813,0.48345726817901447
EOS-3-15945,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nc4)n23)c1,KTCBIMWEZPGZFQ-UHFFFAOYSA-N,3,1,0.314,52,376,476.544,4.245,6,0.382,0.86,0.977,0.013749914330751834,0.0024844081968336644,0.002235967377150298,0.012027962442601604,0.0076245630868343505
EOS-3-15946,Fc1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1cccnc1,VBYSZZMZXWVWDO-UHFFFAOYSA-N,3,1,0.506,88,490,448.408,4.287,5,0.386,0.78,1.0,0.9497549859502433,0.9532845589747104,0.8881416626687684,0.8934103214310192,0.9211478822561854
EOS-3-15947,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nn5)n34)cn2)cnn1,XXHZKQDVCYUECS-UHFFFAOYSA-N,3,1,0.263,70,887,435.476,3.829,6,0.411,0.7,0.999,0.06479165238845865,0.09395346446439586,0.3207627989856761,0.35899698444246453,0.20962622507024878
EOS-3-15948,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6)nn5)n34)cc2)cn1,WSHNAPYNQVOSQY-UHFFFAOYSA-N,3,1,0.377,38,594,443.474,4.076,6,0.401,0.7,1.0,0.12902645466383386,0.11920019189911589,0.3171732574874923,0.330100747035844,0.22387516277157152
EOS-3-15949,Cn1cnnc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,RQMGHFKMNYBKEO-UHFFFAOYSA-N,3,1,0.534,37,563,450.865,3.396,5,0.391,0.68,1.0,0.7035587005688438,0.6498012473442533,0.46033513809882803,0.5206719895826194,0.5835917688986362
EOS-3-15950,Cc1nccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,ZWHXZBCDFLQORV-UHFFFAOYSA-N,3,1,0.46,89,398,478.516,3.423,6,0.378,0.83,1.0,0.42254643273250636,0.12964327325063396,0.117495373860599,0.09787711603042971,0.19189054896854224
EOS-3-15951,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)c(F)c1F,VAWRQLYZUYNBTO-UHFFFAOYSA-N,3,1,0.446,44,488,435.369,3.64,5,0.389,0.73,0.996,0.7431892947707491,0.6594990062367213,0.8543622781166472,0.8362346652045781,0.773321311082174
EOS-3-15952,FC(F)c1cc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)nc4)n23)ccc1Cl,QFKSOFJMMZYYQB-UHFFFAOYSA-N,3,1,0.365,85,81,450.84,4.22,5,0.395,0.72,0.92,0.4249109039819067,0.5263861284353368,0.8796775409499006,0.8767390857377836,0.6769284147762319
EOS-3-15953,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ncc(Cl)cc5F)n34)c2)cn1,MWZMDSFKUVVMSV-UHFFFAOYSA-N,3,1,0.494,37,545,449.877,4.001,5,0.389,0.73,1.0,0.5603882530326914,0.6019635391679803,0.6661298060448222,0.6770783359605236,0.6263899835515043
EOS-3-15954,CCOCc1cncc(-c2nnc3cncc(-c4cn(-c5ccccc5Cl)nn4)n23)c1,IZKPHGQLHDXQOV-UHFFFAOYSA-N,3,1,0.288,50,997,432.875,3.624,5,0.404,0.73,1.0,0.03911657871290521,0.1633198547049551,0.40623500788157085,0.47874545952984715,0.2718542252073196
EOS-3-15955,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,LMXZPAWKSYMTAM-UHFFFAOYSA-N,3,1,0.524,97,208,433.834,4.015,5,0.413,0.74,1.0,0.7695839901309026,0.8350609965046947,0.722020423548763,0.7712631073949695,0.7744821293948324
EOS-3-15956,COc1cnc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,HEGCKTHKAJSBSK-UHFFFAOYSA-N,3,1,0.315,52,582,478.516,3.52,6,0.394,0.85,1.0,0.2607000890960181,0.09080940305667877,0.12310670961551641,0.09788568295524638,0.1431254711808649
EOS-3-15957,Cn1nnc(-c2cnnc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)n1,XVMGXHWMGRUQGC-UHFFFAOYSA-N,3,1,0.46,36,706,424.787,2.357,5,0.427,0.74,1.0,0.5474950311836063,0.7712716743197862,0.2728308546364197,0.3590055513672812,0.48765077787677336
EOS-3-15958,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nc5)n34)cc2)[nH]1,SKCDHGHLKDALJX-UHFFFAOYSA-N,3,1,0.288,98,725,448.494,3.656,6,0.438,0.67,1.0,0.09973613871564663,0.0342505654170379,0.19473476800767597,0.15219998629292028,0.1202303646083202
EOS-3-15959,Fc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccc(Cl)nn5)c4)n23)cc1,WVQSQEKPUBRAOQ-UHFFFAOYSA-N,3,1,0.649,43,613,450.836,4.759,5,0.384,0.81,1.0,0.977923034747447,0.9759012404907135,0.9270869028853402,0.940245699403742,0.9552892193818107
EOS-3-15960,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)c(F)n5)n34)nc2)no1,OYBCKDVEGBKDRD-UHFFFAOYSA-N,3,1,0.409,46,223,440.345,2.936,5,0.38,0.76,1.0,0.547503598108423,0.5538002878486739,0.4812727023507642,0.4321670893016243,0.5036859194023713
EOS-3-15961,COCc1ncc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)cc4C)n23)cn1,USGSORYAXYMIBC-UHFFFAOYSA-N,3,1,0.294,50,974,425.456,2.864,5,0.419,0.7,1.0,0.2008515523267768,0.09081796998149544,0.14638304434240285,0.10616989925296416,0.1360556164759098
EOS-3-15962,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)nn1,HSGVZWOQMPPVQA-UHFFFAOYSA-N,3,1,0.31,99,14,452.417,2.035,6,0.365,0.67,0.923,0.1618634774861216,0.2571876499211843,0.09587245562332945,0.14720546912480295,0.16553226303885957
EOS-3-15963,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-n6nccn6)cn5)n34)cc2)nc1,ZKZDTMNEDNTOTQ-UHFFFAOYSA-N,3,1,0.441,40,59,448.45,2.803,6,0.378,0.68,1.0,0.3980535946816531,0.29869440065793984,0.16519601123980535,0.15768281817558769,0.2549067061887465
EOS-3-15964,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)nc1,FKXHPQJIOKHFJT-UHFFFAOYSA-N,3,1,0.422,46,181,429.871,4.184,5,0.413,0.7,1.0,0.5772993626207936,0.5081642793502844,0.6017493660475636,0.5949472277431294,0.5705400589404428
EOS-3-15965,COc1ncncc1COc1cncc2nnc(-c3cncc(-c4cccc(Cl)c4)c3)n12,PMAXEWSZDBGWIS-UHFFFAOYSA-N,3,1,0.457,2,884,445.87,3.884,5,0.388,0.74,1.0,0.6973819477760264,0.6352717428551847,0.5764940716880269,0.5538259886231238,0.6157434377355904
EOS-3-15966,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C)c(C)n1,HHUMGEKFMFUYDT-UHFFFAOYSA-N,3,1,0.477,31,569,427.472,2.615,5,0.407,0.75,1.0,0.24756699335206633,0.06318107052292508,0.08165136042766089,0.0490199438009732,0.11035484202590637
EOS-3-15968,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)c(F)c1,ATDNACTWGZSSSI-UHFFFAOYSA-N,3,1,0.484,37,908,448.437,3.364,5,0.377,0.72,1.0,0.6428534713179357,0.6019721060927969,0.3542680419436639,0.384749160441368,0.4959606949489411
EOS-3-15969,Fc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)ccn2)nc1,CUJMPGGWDOAVLH-UHFFFAOYSA-N,3,1,0.284,86,902,448.425,3.301,6,0.4,0.65,1.0,0.3411692138989788,0.32827599204989377,0.3353865396477281,0.3556044822150641,0.3401090569529162
EOS-3-15970,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)nc2)cn1,KEYAPHFXTPTOTH-UHFFFAOYSA-N,3,1,0.316,86,459,448.425,3.301,6,0.4,0.65,1.0,0.24757556027688302,0.3378452470701117,0.3615841957370982,0.3720529778630663,0.3297644952367898
EOS-3-15971,Cc1nn(C)cc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)nn1,QAUDZOIZZBDWNM-UHFFFAOYSA-N,3,1,0.308,8,303,451.519,4.081,6,0.398,0.73,1.0,0.047777739702556374,0.07760777191419369,0.1878041258309917,0.22443629634706325,0.13440648344870126
EOS-3-15972,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccccc4)n23)cc1,SHFBZMFIUJNRPC-UHFFFAOYSA-N,3,1,0.377,38,365,431.463,3.711,6,0.419,0.69,1.0,0.08518950037694469,0.047906243574806384,0.2842848331163046,0.3366287437461449,0.18850233020355012
EOS-3-15973,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3nccnc3-c3ccccc3)n12,ZPTGHWSFPRNGBM-UHFFFAOYSA-N,3,1,0.343,30,365,431.463,3.711,6,0.419,0.69,1.0,0.046355630182989514,0.03425913234185457,0.06859536700705915,0.13325851552326776,0.07061716126379275
EOS-3-15974,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(C5=CCCOC5)nc4)n23)nc1,TZZKFUZHLAONJA-UHFFFAOYSA-N,3,1,0.43,63,108,469.505,2.856,6,0.439,0.76,0.916,0.14510657254471934,0.0034353368514837912,0.03428483311630457,0.042406277842505655,0.05630825508875334
EOS-3-15976,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C(F)c4ccc(F)c(F)c4F)n23)cc1,YLJVGBAMOWHUMR-UHFFFAOYSA-N,3,1,0.434,0,646,441.388,4.16,5,0.373,0.75,1.0,0.4132513193064218,0.5263946953601535,0.9391234322527585,0.9384894798163251,0.7043147316839147
EOS-3-15977,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)ncc4Cl)n23)cc1,SPJWSIPEOAPQAC-UHFFFAOYSA-N,3,1,0.478,89,707,475.9,2.574,5,0.397,0.76,1.0,0.43618497704064146,0.45879309163182785,0.28801144541155504,0.21009526420396135,0.3482711945719964
EOS-3-15978,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,UVESXJOPVWQTDC-UHFFFAOYSA-N,3,1,0.506,20,658,429.444,2.007,5,0.383,0.7,1.0,0.22268007675964635,0.07761633883901035,0.13142519361250085,0.0757915838530601,0.1268782982660544
EOS-3-15979,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)cn1,XXOQHFFDXVPIBI-UHFFFAOYSA-N,3,1,0.327,52,821,473.447,2.74,6,0.395,0.74,0.992,0.1840261119868412,0.25719621684600097,0.14968987732163663,0.20436399150161058,0.19881904941402234
EOS-3-15980,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccncc5)nc4)n23)nc1,ZLRPOVGEYBKHOA-UHFFFAOYSA-N,3,1,0.292,94,723,429.447,3.767,6,0.417,0.7,0.998,0.094981495442396,0.09701185662394626,0.36527654033308204,0.39712836680145297,0.23859956480021932
EOS-3-15981,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)cnn4)n23)n1,WKFGBFZVJDVXKC-UHFFFAOYSA-N,3,1,0.404,87,466,431.847,2.708,5,0.374,0.71,0.992,0.4643016242889452,0.539921869645672,0.2582756493729011,0.31759303680350903,0.39502304502775687
EOS-3-15982,COc1cc(-c2ncn(C)n2)ccc1-c1nnc2cncc(OCc3ccc4ccccc4n3)n12,VVEADGDBFIXBHL-UHFFFAOYSA-N,3,1,0.474,1,891,464.489,3.723,6,0.367,0.78,1.0,0.33403296552669454,0.26779350284421904,0.33539510657254473,0.2509423617298335,0.2970409841683229
EOS-3-15983,Cn1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)n2)n1,MACMSQIQVITWJH-UHFFFAOYSA-N,3,1,0.419,33,760,428.416,1.055,5,0.418,0.66,0.088,0.3213453498732095,0.10009594955794668,0.04264615173737235,0.01795627441573573,0.12051093139606606
EOS-3-15985,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,XIGPWICPSSCAPO-UHFFFAOYSA-N,3,1,0.42,18,720,444.886,3.622,5,0.391,0.68,1.0,0.6371050647659516,0.6302258241381674,0.38438078267425124,0.3816736344321842,0.5083463265026387
EOS-3-15986,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccn2)nc1,ZGBXGIUYBHEGGS-UHFFFAOYSA-N,3,1,0.494,24,199,435.369,3.64,5,0.416,0.68,1.0,0.882735933109451,0.8086148995956411,0.864839627167432,0.8494876978959632,0.8514195394421218
EOS-3-15987,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)nn1,VGJIITLXSKWPPA-UHFFFAOYSA-N,3,1,0.338,69,898,442.486,4.681,6,0.391,0.78,1.0,0.12903502158865054,0.11920875882393256,0.5261805222397368,0.527131450894387,0.3253889383866767
EOS-3-15988,Cc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccn(C)n6)cn5)n34)n2)nn1,XQYPZJWAAYKRGF-UHFFFAOYSA-N,3,1,0.242,99,286,436.443,1.933,6,0.407,0.62,0.773,0.0009680625042834624,0.012062230141868274,0.035569871838804744,0.02838222191762045,0.019245596600644232
EOS-3-15989,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)nn1,ZDRPPERARFFBME-UHFFFAOYSA-N,3,1,0.421,53,602,431.847,2.708,5,0.4,0.64,0.842,0.5164313617983689,0.5308066616407374,0.14353882530326914,0.21326502638612843,0.351010468782126
EOS-3-15990,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)n1,CNWIUXMFYZSDRX-UHFFFAOYSA-N,3,1,0.5,56,8,416.832,3.271,5,0.43,0.76,1.0,0.7068398327736276,0.7497858268795833,0.3690117195531492,0.38168220135700087,0.5518298951408402
EOS-3-15991,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnnc5)nc4)n23)cc1,FJZRQGJATHEKNX-UHFFFAOYSA-N,3,1,0.304,98,642,432.451,3.106,6,0.418,0.65,1.0,0.11239805359468165,0.0592402851072579,0.32793331505722706,0.32061716126379275,0.20504720375573984
EOS-3-15992,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(CCc5ccc(F)c(F)c5)cn4)n23)cc1,BMRQWBCDAMKXEW-UHFFFAOYSA-N,3,1,0.473,62,139,470.483,4.276,5,0.401,0.8,1.0,0.32912411760674387,0.3282845589747104,0.8187324378041259,0.7378949352340484,0.5535090124049071
EOS-3-15993,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccnn5)c4)n23)cc1,VNYDLPZFMDERKU-UHFFFAOYSA-N,3,1,0.298,98,42,420.44,2.834,6,0.432,0.71,1.0,0.013758481255568502,0.02127167431978617,0.24413165650058255,0.23639572339113152,0.12888938386676718
EOS-3-15994,c1cc(-c2nn[nH]n2)nc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,MPFPTHMZMCAQGB-UHFFFAOYSA-N,3,1,0.271,70,421,420.4,1.885,6,0.448,0.68,0.822,0.05429716948804057,0.08777671167157837,0.07944966074977726,0.09789424988006305,0.07985444794736482
EOS-3-15995,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)c(F)c5)n34)n2)cc1,UAJGNLJGZFNERF-UHFFFAOYSA-N,3,1,0.308,39,144,471.406,3.913,6,0.384,0.78,0.655,0.0577753409636077,0.18420601740799122,0.6374134740593517,0.7456223014186828,0.4062542834624083
EOS-3-15996,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccn(-c6ncc(F)cn6)n5)n34)cc2)n1,ZHJXZJUORQVJRR-UHFFFAOYSA-N,3,1,0.294,38,532,449.453,3.944,6,0.402,0.71,1.0,0.01883866767185251,0.12631073949695018,0.36159276266191487,0.37206154478788295,0.21970092865465013
EOS-3-15997,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)nn4)n23)cc1,MBHFLLMBSNRMKP-UHFFFAOYSA-N,3,1,0.299,98,356,438.39,2.024,6,0.433,0.62,0.207,0.2367212665341649,0.3036375162771571,0.09356795284764581,0.18201288465492427,0.20398490507847303
EOS-3-15998,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(F)c1,IXIVRPNMHKIVLW-UHFFFAOYSA-N,3,1,0.333,9,98,448.465,4.455,6,0.396,0.75,1.0,0.22859982180796382,0.2729422246590364,0.6436330614762524,0.6565691179494209,0.45043605647316837
EOS-3-15999,Cc1nc(-c2ccc(C(N)=O)cn2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,STLRMZAPFGXYAT-UHFFFAOYSA-N,3,1,0.388,46,330,473.884,2.678,5,0.393,0.72,1.0,0.5189928723185525,0.2883712562538551,0.19474333493249263,0.1708587485436228,0.2932415530121308
EOS-3-16000,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nn5)n34)cc2)n1,QRQYQJQMFUDSBJ-UHFFFAOYSA-N,3,1,0.311,98,882,435.455,2.444,6,0.414,0.66,1.0,0.09037248989102871,0.06690768281817559,0.08431567404564458,0.07580015077787677,0.0793489993831814
EOS-3-16001,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nc1,CGQKUNRREHYSQQ-UHFFFAOYSA-N,3,1,0.291,99,892,434.427,1.896,6,0.404,0.65,1.0,0.1318963744774176,0.08778527859639504,0.03835412240422178,0.05284935919402371,0.07772128366801453
EOS-3-16003,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)nc4)n23)cc1F,QLXLDAZSKZWWEW-UHFFFAOYSA-N,3,1,0.566,73,665,447.861,4.323,5,0.396,0.75,1.0,0.9129686107874717,0.87533411006785,0.7087930916318278,0.6999006236721267,0.799249109039819
EOS-3-16004,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)c2)no1,UIYUYKMEVCDLKD-UHFFFAOYSA-N,3,1,0.558,15,921,431.431,3.614,5,0.402,0.76,1.0,0.6371136316907683,0.5217942567336029,0.33178843122472756,0.259954766636968,0.4376627715715166
EOS-3-16005,COc1ncccc1-c1cnc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)nc1,JGBMPIBGBPWNJI-UHFFFAOYSA-N,3,1,0.419,7,535,447.846,2.674,5,0.383,0.7,0.988,0.4595555479405113,0.43707593722157495,0.16208621753135494,0.13105681584538414,0.29744362963470633
EOS-3-16006,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccc(F)nc5F)c4)n23)cn1,IITIZOPNKQYUJS-UHFFFAOYSA-N,3,1,0.447,55,875,461.392,1.994,5,0.375,0.69,1.0,0.6033685148379138,0.3620382427523816,0.35786615036666436,0.2957473785210061,0.4047550716194914
EOS-3-16007,Cn1cc(-c2cncc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)c2)nn1,HWWKHHRLVRSZNP-UHFFFAOYSA-N,3,1,0.3,10,356,451.429,2.64,6,0.398,0.65,0.976,0.04202933315057227,0.12267836337468302,0.222508738263313,0.3146117469673086,0.17545704543896923
EOS-3-16008,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4c(F)cnn4C4CCCCC4)n23)cn1,LHSVZVRNULRDTF-UHFFFAOYSA-N,3,1,0.42,63,701,476.516,3.498,6,0.434,0.82,1.0,0.25796724007950106,0.22723768076211362,0.0013707079706668495,0.00884106641080118,0.12385417380577068
EOS-3-16009,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)nn5)n34)cn2)n1,RWCIUFBPLHUKIC-UHFFFAOYSA-N,3,1,0.293,99,14,437.427,2.402,6,0.404,0.68,1.0,0.11240662051949832,0.10010451648276335,0.049276951545473235,0.04112980604482215,0.07572947364813926
EOS-3-16010,Cc1nc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)nc4)n23)no1,CDJMXCXHCGWVRS-UHFFFAOYSA-N,3,1,0.265,86,953,435.411,2.459,6,0.402,0.67,0.999,0.0810088410664108,0.06318963744774175,0.01931841546158591,0.020423548762936058,0.04598511068466864
EOS-3-16011,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)nn1,FVPYMJIYYMDJNF-UHFFFAOYSA-N,3,1,0.326,30,945,443.474,4.076,6,0.401,0.71,1.0,0.10491056130491398,0.12268693029949969,0.21549242683846206,0.26299602494688507,0.1765214858474402
EOS-3-16012,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)c(C)n1,IOCHARNQZLMNND-UHFFFAOYSA-N,3,1,0.483,75,420,428.431,3.373,5,0.42,0.68,1.0,0.7431978616955658,0.5633010074703585,0.3244380097320266,0.23941984785141526,0.46758918168734154
EOS-3-16013,Cn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)c2)nn1,XFXZWAYSHBQKJP-UHFFFAOYSA-N,3,1,0.275,70,596,450.441,3.245,6,0.402,0.66,1.0,0.05430573641285724,0.15178020697690356,0.4426530052772257,0.45104002467274346,0.27494474333493246
EOS-3-16014,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5cn(-c6cccc(F)n6)nn5)n34)cn2)cn1,RRVOODFOOSPPMK-UHFFFAOYSA-N,3,1,0.317,86,780,455.392,2.564,6,0.369,0.7,0.981,0.01794770749091906,0.10999931464601467,0.28429340004112125,0.3494105955726133,0.1904127544376671
EOS-3-16015,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4nnn(-c5cncc(F)c5)n4)n23)c1,PBIJYVYISFPTQL-UHFFFAOYSA-N,3,1,0.337,10,952,454.404,3.169,6,0.399,0.66,1.0,0.02623192378863683,0.16725207319580562,0.31718182441230897,0.4730655883763964,0.24593285244328694
EOS-3-16016,Fc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2F)nc1,SBLHMJYXERIIKX-UHFFFAOYSA-N,3,1,0.636,73,665,451.824,4.154,5,0.396,0.73,1.0,0.9815725447193475,0.9764323898293469,0.7521502981289836,0.8054537043382908,0.8789022342539922
EOS-3-16017,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnn(-c5c(F)cncc5F)c4)n23)nc1,VQMUQUQTNOLVTL-UHFFFAOYSA-N,3,1,0.388,33,62,463.408,1.984,5,0.405,0.67,1.0,0.3087005688438078,0.17587039956137346,0.3171903913371256,0.23942841477623192,0.2602974436296347
EOS-3-16018,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cc(-c6nncn6C)ccc5F)n34)nc2)n1C,WCPJVZDABYJTDH-UHFFFAOYSA-N,3,1,0.325,98,765,467.472,2.892,6,0.388,0.7,1.0,0.20915290247412788,0.3282931258995271,0.11750394078541566,0.13773901720238504,0.19817224659036392
EOS-3-16019,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)ccc1-c1nnco1,UPRVFODVAHOWTC-UHFFFAOYSA-N,3,1,0.301,3,887,437.398,3.499,6,0.408,0.67,1.0,0.3595966691796313,0.40967034473305464,0.48128126927558085,0.49713864711123296,0.43692173257487493
EOS-3-16020,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(C#N)c5)cn4)n23)cc1,IQWTZWRGOFCJHG-UHFFFAOYSA-N,3,1,0.299,38,642,456.473,3.582,6,0.394,0.69,1.0,0.17530498252347337,0.1440785415667192,0.505362894935234,0.4819494894112809,0.3266739771091769
EOS-3-16021,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cn1,GCRNXFTWQUQQCW-UHFFFAOYSA-N,3,1,0.58,87,796,427.443,3.712,5,0.408,0.72,1.0,0.7432064286203824,0.7036443698170105,0.49145020903296555,0.44469193338359264,0.5957482352134879
EOS-3-16022,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2F)n1,LERWBOXMTQWKFN-UHFFFAOYSA-N,3,1,0.483,13,145,423.358,4.094,5,0.468,0.74,1.0,0.7461962853813995,0.8006647933657735,0.8587913782468645,0.8562213008018642,0.8154684394489755
EOS-3-16023,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnc(C)nc5)nc4)n23)cn1,QXPSCWBMHOUBKX-UHFFFAOYSA-N,3,1,0.467,65,282,425.456,2.672,5,0.405,0.68,1.0,0.5372147214036049,0.47188335275169624,0.11751250771023233,0.06814988691659242,0.2986901171955315
EOS-3-16024,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cc5)n34)cn2)nn1,ACFYDIVTFAYWJX-UHFFFAOYSA-N,3,1,0.302,98,727,447.466,2.809,6,0.401,0.65,1.0,0.0745151120553766,0.07762490576382702,0.117521074635049,0.1132633130011651,0.09573110136385443
EOS-3-16025,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(Cl)nc5)n4)n23)nc1,IOWXYTPSCFEOBR-UHFFFAOYSA-N,3,1,0.419,46,128,430.859,3.579,5,0.39,0.73,1.0,0.5164399287231856,0.583116304571311,0.35787471729148107,0.3301093139606607,0.44688506613665957
EOS-3-16026,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)cn1,FPMHTVZEYGNAQL-UHFFFAOYSA-N,3,1,0.547,46,238,430.859,3.579,5,0.39,0.73,0.952,0.6001559180316633,0.5218028236584196,0.4914587759577822,0.4542526214789939,0.5169175347817148
EOS-3-16027,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)s4)n23)cc1,LJMFRZHOOUAXGZ-UHFFFAOYSA-N,3,1,0.64,55,540,421.873,3.937,5,0.424,0.79,1.0,0.7894164210814886,0.8753426769926667,0.3389932149955452,0.4289373586457405,0.6081724179288602
EOS-3-16028,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)nc1,WIVWREVSRSPMRT-UHFFFAOYSA-N,3,1,0.289,99,286,437.431,1.234,6,0.395,0.64,1.0,0.1290435885134672,0.05148721814817353,0.01668836954286889,0.015548968542252073,0.053192036186690425
EOS-3-16029,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ncnc(C(F)F)n5)n34)c2)c1,YGZZFOFHRJVBEN-UHFFFAOYSA-N,3,1,0.44,27,839,435.398,2.893,5,0.401,0.67,0.999,0.5423548762936057,0.4718919196765129,0.33900178192036184,0.2480810088410664,0.4003323966828867
EOS-3-16030,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5F)c4)n23)nn1,MXFIBKPRKZSLFM-UHFFFAOYSA-N,3,1,0.517,11,132,431.406,3.543,5,0.406,0.68,1.0,0.8643256116784319,0.7712802412446028,0.5951185662394627,0.6335840586663012,0.7160771194571997
EOS-3-16031,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(Cl)ncn5)cn4)n23)cc1,PDMDHKAOWCQTIY-UHFFFAOYSA-N,3,1,0.455,89,943,473.884,2.63,5,0.369,0.73,1.0,0.6885922829141251,0.48969398944554865,0.26552326776780205,0.18468576519772462,0.4071238263313002
EOS-3-16032,Cc1ncc(Oc2cncc3nnc(-c4ccc(-c5nnnn5C)c(F)c4)n23)cc1F,OCYHOKAZBPEPFT-UHFFFAOYSA-N,3,1,0.477,36,941,421.371,2.756,5,0.436,0.76,1.0,0.5040093208142006,0.6211363169076828,0.3914998971969022,0.3971369337262696,0.47844561716126377
EOS-3-16033,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)c(F)c2)n1,SKHQKQCVRQGTIA-UHFFFAOYSA-N,3,1,0.287,42,174,450.437,4.413,6,0.389,0.79,1.0,0.27935885134672056,0.31373792063600847,0.5532691385100404,0.5505105887190734,0.42421912480296076
EOS-3-16034,Cn1ncnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,LPJBXKHDNCUNDS-UHFFFAOYSA-N,3,1,0.667,43,250,417.86,3.819,5,0.432,0.79,1.0,0.8061904598725241,0.8165136042766089,0.5765026386128436,0.6133318483996985,0.7031346377904188
EOS-3-16035,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(C)n5C)c4)n23)cc1,RJIKWRNDRLPEEL-UHFFFAOYSA-N,3,1,0.511,89,656,454.494,2.834,5,0.42,0.66,1.0,0.4890172023850319,0.15178877390172024,0.29153245151120555,0.12679048728668357,0.2647822287711603
EOS-3-16036,CNC(=O)c1ccc(-c2nnc3cncc(OCc4csc(-c5cnc(C)cn5)n4)n23)cn1,NRGNEKKBAHUCKW-UHFFFAOYSA-N,3,1,0.442,7,205,459.495,2.347,5,0.406,0.71,1.0,0.3687718456582825,0.26259337948050165,0.03167192104722089,0.009766294291001303,0.16820086011925162
EOS-3-16037,Cc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)c1,LJGAZFOLOSNAGS-UHFFFAOYSA-N,3,1,0.398,44,267,429.871,4.184,5,0.413,0.72,1.0,0.5634209444177918,0.7036529367418272,0.5566273730381742,0.5732129394832431,0.5992285484202591
EOS-3-16038,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)c2)cc1=O,CSEIGIKASZOQKC-UHFFFAOYSA-N,3,1,0.472,16,980,463.86,3.319,5,0.394,0.71,1.0,0.557689671715441,0.4897025563703653,0.6772154067575903,0.6831180179562745,0.6019314131999178
EOS-3-16039,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c1,ANIZOGUQKADRLV-UHFFFAOYSA-N,3,1,0.322,39,27,468.431,3.384,6,0.387,0.73,1.0,0.16727777397025564,0.2938283873620725,0.36902028647796586,0.5105201836748681,0.33516165787129054
EOS-3-16040,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)n1,QLWHFPGPHDSZQR-UHFFFAOYSA-N,3,1,0.319,38,42,433.479,3.654,6,0.421,0.67,1.0,0.07452367898019327,0.0514957850729902,0.3690288534027825,0.3083236241518744,0.2008429854019601
EOS-3-16041,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)c(C)n4)n23)n(C)n1,GIPLAJIUKRFMRJ-UHFFFAOYSA-N,3,1,0.394,31,662,430.447,3.317,5,0.422,0.7,0.999,0.3687804125830992,0.3190237132478925,0.2987372352820232,0.23640429031594817,0.3057364128572408
EOS-3-16042,Clc1cnc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)cc2)nc1,SVKMPIDBKPHZGB-UHFFFAOYSA-N,3,1,0.366,85,260,436.266,3.331,5,0.422,0.61,1.0,0.35490199438009734,0.36204680967719827,0.2769686793228703,0.41309711465972176,0.3517536495099719
EOS-3-16043,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4nc(Cl)cnc4F)n23)cc1,JRDPTVBZSLFNLN-UHFFFAOYSA-N,3,1,0.489,20,320,451.853,2.791,5,0.387,0.69,1.0,0.7341083544650813,0.6740799122746899,0.18781269275580836,0.23641285724076486,0.4581034541840861
EOS-3-16044,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)cn1,VRSDLKYPTNYJGI-UHFFFAOYSA-N,3,1,0.305,10,673,453.897,4.093,6,0.399,0.75,0.5,0.020903296552669454,0.1517973408265369,0.4674970872455623,0.5342762661914879,0.2936184977040641
EOS-3-16045,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)n2)c1,ZMEWCHRPLNDEDB-UHFFFAOYSA-N,3,1,0.287,10,871,424.403,2.963,6,0.463,0.66,0.195,0.02971866218902063,0.1440871084915359,0.2805239531217874,0.34941916249742994,0.20093722157494348
EOS-3-16046,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cn1,OTYXBGOXOGKHQD-UHFFFAOYSA-N,3,1,0.506,7,99,430.859,3.579,5,0.416,0.67,1.0,0.6612466588993215,0.5974402028647796,0.45684839969844426,0.4381211020492084,0.5384140908779385
EOS-3-16047,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cc1,LNPAUJOMNDQWBU-UHFFFAOYSA-N,3,1,0.348,9,867,420.436,3.909,6,0.426,0.78,1.0,0.23941128092659858,0.09082653690631211,0.5162600233020355,0.47875402645466386,0.3313129668974025
EOS-3-16048,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cncc(F)c6)n5)n34)cc2)o1,NJODHLFZNHRAOZ-UHFFFAOYSA-N,3,1,0.295,98,424,440.402,2.932,6,0.407,0.65,1.0,0.05778390788842437,0.16332842162977176,0.18782125968062505,0.210103831128778,0.1547593550818998
EOS-3-16049,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)n(C)n1,JZNCGYKGMDIDCJ-UHFFFAOYSA-N,3,1,0.536,4,32,450.865,3.662,5,0.403,0.71,1.0,0.6578370228222877,0.8384620656569118,0.25828421629771775,0.3494277294222466,0.526002758549791
EOS-3-16050,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)c2)nn1,ARUUJKYIGNSAQH-UHFFFAOYSA-N,3,1,0.323,9,764,446.478,3.414,6,0.405,0.67,1.0,0.04940545541772325,0.03107223631005414,0.23356863820163115,0.227614625454047,0.1354152388458639
EOS-3-16051,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cc2)n(C)n1,HTNIBCKQUIBHIU-UHFFFAOYSA-N,3,1,0.329,38,193,446.478,3.414,6,0.405,0.67,1.0,0.06664210814885889,0.05150435199780687,0.16842574189568912,0.16041566719210473,0.11174696730861491
EOS-3-16052,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nn[nH]n5)cc4)n23)cn1,GGBICTWNHDQWLI-UHFFFAOYSA-N,3,1,0.506,27,499,421.371,2.883,5,0.444,0.72,1.0,0.7669625111370023,0.5880851209649784,0.6661383729696388,0.5701288465492427,0.6478287129052156
EOS-3-16053,Cc1cccc(-c2cn(C)nc2-c2cncc3nnc(-c4ccc(-c5cn(C)nn5)cc4)n23)n1,QLLMBJXXGPLUCF-UHFFFAOYSA-N,3,1,0.298,98,193,448.494,3.358,6,0.407,0.66,1.0,0.05255808375025701,0.04791481049962305,0.1878298266054417,0.16284867384003837,0.11278784867384004
EOS-3-16055,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)nc1)N1CCOCC1,CNKLSLFITJWQCZ-UHFFFAOYSA-N,3,1,0.402,52,821,481.491,3.527,6,0.387,0.88,0.998,0.07649407168802687,0.03426769926667123,0.05493968884929066,0.17916866561579056,0.08621753135494484
EOS-3-16056,Cc1nc(COc2cncc3nnc(-c4cncc(-c5cncn(C)c5=O)c4)n23)ccc1F,BFWQANZNLMSFGO-UHFFFAOYSA-N,3,1,0.442,2,36,444.43,2.369,5,0.406,0.69,1.0,0.40883935302583785,0.3190322801727092,0.3504386265506134,0.289767664998972,0.3420194811870331
EOS-3-16057,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5F)cn4)n23)cn1,LGMINDXWOOKMDM-UHFFFAOYSA-N,3,1,0.361,96,680,444.445,4.421,5,0.441,0.72,1.0,0.4572510451648276,0.5308152285655541,0.9288345555479405,0.8629292029333151,0.6949575080529093
EOS-3-16058,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)nc1,QSOVDTKYNDCVBB-UHFFFAOYSA-N,3,1,0.292,86,114,433.439,2.501,6,0.412,0.63,0.832,0.0648002193132753,0.02591494757042012,0.05111884038105682,0.061587622507024875,0.05085540744294428
EOS-3-16059,Cc1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1ncc(F)cn1,OXXVOLSTEOOXCQ-UHFFFAOYSA-N,3,1,0.394,7,775,449.837,3.113,5,0.398,0.67,1.0,0.6766328558700568,0.6352803097800014,0.2369097388801316,0.25996333356178464,0.4521965595229936
EOS-3-16060,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)c1,BTHXIYNHOABJBP-UHFFFAOYSA-N,3,1,0.489,26,490,449.877,4.001,5,0.389,0.7,1.0,0.7004146391611267,0.635288876704818,0.6686998834898225,0.6799739565485573,0.6710943389760811
EOS-3-16061,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)nc1,USPBTJPPBZZPJP-UHFFFAOYSA-N,3,1,0.278,70,813,434.467,3.049,6,0.42,0.66,1.0,0.030995133986704133,0.03714618600507162,0.25829278322253446,0.2101123980535947,0.13413662531697623
EOS-3-16062,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cnn1,IXKHADCYJDQRLN-UHFFFAOYSA-N,3,1,0.478,55,939,430.859,3.579,5,0.416,0.66,1.0,0.60016448495648,0.5679014460969091,0.5195497224316359,0.5072647522445343,0.5487201014323898
EOS-3-16063,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cncc(-c4ncccn4)c3)n12,FKDGUFLNVFCGJH-UHFFFAOYSA-N,3,1,0.453,2,491,434.822,3.41,5,0.414,0.67,1.0,0.8008703995613734,0.7455194983208827,0.6374220409841683,0.6510520183674868,0.7087159893084778
EOS-3-16064,CCn1nnc(-c2nccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)n2)n1,ZBRMFMMKFGQZER-UHFFFAOYSA-N,3,1,0.308,74,918,427.432,1.329,5,0.437,0.66,0.988,0.05256665067507368,0.06319820437255842,0.006545130559934206,0.0023559043245836475,0.031166472483037486
EOS-3-16065,Cc1cc(Cl)nnc1CCOc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,RGJCSSVRZVKOQA-UHFFFAOYSA-N,3,1,0.5,36,320,447.89,2.96,5,0.391,0.68,1.0,0.6312538551161675,0.6165958467548489,0.10617846617778082,0.12479439380439997,0.3697056404632993
EOS-3-16066,COc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)nc2)c(F)cn1,MDVZWHQRVMEBDF-UHFFFAOYSA-N,3,1,0.57,11,198,442.454,4.018,5,0.376,0.76,1.0,0.795130559934206,0.7131022548146118,0.6496127749982866,0.5538345555479405,0.6779200363237612
EOS-3-16067,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)nc4)n23)cc1,SKMCUFMRKSFYTQ-UHFFFAOYSA-N,3,1,0.282,98,725,421.428,2.434,6,0.46,0.66,1.0,0.09499006236721266,0.06691624974299226,0.21550099376327872,0.21327359331094511,0.1476702247961072
EOS-3-16068,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nc5)n34)cc2)c1,KMZRVJCLDBSJSN-UHFFFAOYSA-N,3,1,0.324,38,327,429.447,3.767,6,0.417,0.71,1.0,0.16187204441093825,0.13302720855321773,0.467505654170379,0.4636162703036118,0.30650529435953666
EOS-3-16069,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cncc(-c5cccnc5)c4)n23)nc1,PRRIWJJSWVMYIV-UHFFFAOYSA-N,3,1,0.278,94,165,429.447,3.767,6,0.417,0.71,0.976,0.10736070180248099,0.10343705023644713,0.3953378795147694,0.44157357275032555,0.26192730107600576
EOS-3-16070,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)[nH]n2)nn1,FRZVAQHLLJUSQT-UHFFFAOYSA-N,3,1,0.548,54,963,436.838,3.651,5,0.448,0.69,0.808,0.6518487423754369,0.5778990473579604,0.6342694126516346,0.6565776848742375,0.6301487218148174
EOS-3-16071,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cnn2)nc1,ZSKPGPCTGBGWDK-UHFFFAOYSA-N,3,1,0.402,46,382,435.81,2.805,5,0.41,0.61,0.987,0.7462048523062161,0.7585069563429512,0.32077136591049277,0.3971455006510863,0.5556571688026866
EOS-3-16072,Fc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cn1,RZZJLKFSMSGADH-UHFFFAOYSA-N,3,1,0.389,46,128,435.81,2.805,5,0.41,0.61,1.0,0.5576982386402577,0.7084418477143445,0.39899595641148655,0.4542611884038106,0.5298493077924749
EOS-3-16073,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn[nH]6)nn5)n34)cc2)cc1,SBJNKPSSZPUMQV-UHFFFAOYSA-N,3,1,0.352,93,74,418.424,3.095,6,0.463,0.76,1.0,0.12330374888629977,0.17136419710780618,0.27283942156123636,0.38475772736618463,0.23806627373038175
EOS-3-16074,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cc2)ccn1,JGSVVJMPRRCDDL-UHFFFAOYSA-N,3,1,0.342,93,289,434.438,4.24,6,0.386,0.75,0.999,0.046364197107806183,0.197544719347543,0.5920516071550956,0.6510605852923035,0.3717552772256871
EOS-3-16075,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nn1,RHQZLRJIOKDMJW-UHFFFAOYSA-N,3,1,0.465,13,706,422.811,3.567,5,0.437,0.74,1.0,0.6518573093002535,0.7925861832636557,0.5227880200123364,0.5635751490644918,0.6327016654101845
EOS-3-16077,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)no2)n1,FKCQHKYFGAKUSU-UHFFFAOYSA-N,3,1,0.366,25,74,439.414,3.443,6,0.411,0.73,1.0,0.18683606332670824,0.34779144678226304,0.3132924405455418,0.42573332876430675,0.31841331985470495
EOS-3-16078,Fc1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)n1,DTLGISNMVLRCGH-UHFFFAOYSA-N,3,1,0.431,22,730,422.786,3.637,5,0.41,0.77,0.994,0.41780035638407237,0.6889435268316085,0.687898362003975,0.8182184223151258,0.6532151668836954
EOS-3-16080,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cn5)nc4)n23)cn1,IUMGSUBXEDDWIY-UHFFFAOYSA-N,3,1,0.289,86,780,452.417,2.035,6,0.39,0.65,1.0,0.20086011925159344,0.2572047837708176,0.07741073264341032,0.11559351655129875,0.16276728805428006
EOS-3-16081,Fc1cc(Cl)cc(COc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)c1,VBNSMXBPGXKTCR-UHFFFAOYSA-N,3,1,0.538,2,16,433.834,4.015,5,0.413,0.68,1.0,0.7783393872935371,0.7754866013295867,0.7544719347543006,0.7784421903913371,0.7716850284421903
EOS-3-16082,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)nc1,GUIWNSUBBPNXOD-UHFFFAOYSA-N,3,1,0.603,24,912,433.834,4.015,5,0.413,0.69,1.0,0.6457319580563361,0.7268521691453635,0.7063343842094442,0.7352905900897814,0.7035522753752314
EOS-3-16083,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)c1,CVUJWBDXEUMZSZ-UHFFFAOYSA-N,3,1,0.638,88,752,448.408,4.287,5,0.386,0.75,1.0,0.977563223905147,0.9739222808580632,0.8902491261736687,0.8852546090055514,0.9317473099856076
EOS-3-16084,Cc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cncc(-c5cnn(C)c5)c4)n23)n1,QTRHSYKOMLOELT-UHFFFAOYSA-N,3,1,0.222,70,967,447.466,2.809,6,0.401,0.67,0.235,0.020911863477486123,0.006031115070934137,0.13438934959906793,0.140009252278802,0.07533539510657256
EOS-3-16085,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nc(C)nn5C)ccn4)n23)cc1F,OSNLEHUQCLFDQI-UHFFFAOYSA-N,3,1,0.5,89,788,473.472,2.368,5,0.399,0.73,1.0,0.4002124597354534,0.30364608320197384,0.15891645534918786,0.08998697827427866,0.23819049414022345
EOS-3-16086,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)cn2)n1,NQFGFQSNZSFQJF-UHFFFAOYSA-N,3,1,0.298,30,541,451.881,4.149,6,0.371,0.79,0.377,0.004960249468850661,0.09083510383112878,0.3879446233979851,0.5142467959701186,0.24949669316702078
EOS-3-16087,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-c5nccnc5Cl)nc4)n23)cc1,VCTUOAUHKFNUSJ-UHFFFAOYSA-N,3,1,0.647,89,731,472.896,3.017,5,0.382,0.74,1.0,0.7341169213898979,0.38591426221643477,0.30954869440065796,0.2630045918717017,0.4231461174696731
EOS-3-16088,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cnc(F)cn5)c4)n23)cn1,MMPCBXOBRRFVCV-UHFFFAOYSA-N,3,1,0.438,55,283,444.39,1.25,5,0.404,0.64,0.991,0.5527722568706737,0.33785381399492836,0.13143376053731753,0.09588958947296279,0.27948735521897056
EOS-3-16089,CCOc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nc1,KHNBVSLSMSFVMS-UHFFFAOYSA-N,3,1,0.539,87,579,440.467,3.059,5,0.359,0.73,1.0,0.4742135563018299,0.4676427249674457,0.17513364402714002,0.10415667192104722,0.30528664930436566
EOS-3-16090,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C)ncc1F,AXURQNFVDYDNGN-UHFFFAOYSA-N,3,1,0.456,31,569,431.435,2.446,5,0.403,0.71,1.0,0.42017339455828934,0.2678020697690357,0.10097834281406347,0.08807655404016175,0.21925759029538758
EOS-3-16091,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)cn2)n1,OYYZYLGZSHLNFF-UHFFFAOYSA-N,3,1,0.323,42,106,443.474,4.076,6,0.401,0.72,1.0,0.14805359468165308,0.09396203138921252,0.3317969981495442,0.30833219107669113,0.22053620382427525
EOS-3-16092,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccnnn6)n5)n34)cc2)c1,NSGRRYCWZFRRIH-UHFFFAOYSA-N,3,1,0.284,38,270,443.474,4.076,6,0.401,0.72,1.0,0.14511513946953603,0.11921732574874923,0.42776368994585706,0.4257418956891234,0.2794595127133164
EOS-3-16093,Cc1nc(-c2ccn(C)n2)cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)n1,CSQTUXYZSMHNSR-UHFFFAOYSA-N,3,1,0.511,95,531,430.447,3.051,5,0.408,0.69,1.0,0.46171441299431154,0.35252038928106366,0.26914707696525253,0.2541206908368172,0.3343756425193612
EOS-3-16094,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(Cl)s5)nn4)n23)cc1,VETCYXQHBIOUDW-UHFFFAOYSA-N,3,1,0.57,72,208,457.306,3.986,5,0.39,0.74,1.0,0.7312127338770475,0.9007778767733534,0.2441402234253992,0.4098845178534713,0.5715038379823179
EOS-3-16095,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5cnn(C)n5)n4)n23)ccc1Cl,ZQJZIWFJHZUQPA-UHFFFAOYSA-N,3,1,0.506,4,268,432.875,3.523,5,0.419,0.68,0.977,0.4666061270646289,0.6211448838324994,0.39534644643958605,0.38808169419505173,0.4677947878829416
EOS-3-16096,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)c(F)c4)n23)cn1,GXDXHIXMLJYSNR-UHFFFAOYSA-N,3,1,0.506,4,677,434.46,3.435,5,0.414,0.71,1.0,0.5396991296004386,0.6068124186142142,0.19814440408470976,0.16814303337673908,0.37819974641902543
EOS-3-16097,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)nn5)nn4)n23)cc1,XXNUSHQREJZQJO-UHFFFAOYSA-N,3,1,0.333,98,890,456.861,2.278,6,0.392,0.66,1.0,0.006810705229250908,0.14409567541635254,0.09588102254814612,0.1604242341169214,0.10180290932766774
EOS-3-16098,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnc(Cl)cn5)n4)n23)cc1,SLSWVBNACBIFBL-UHFFFAOYSA-N,3,1,0.326,8,927,456.861,2.278,6,0.392,0.66,1.0,0.022942224659036392,0.15574669316702078,0.05299499691590707,0.09589815639777945,0.08189551778493592
EOS-3-16100,Cc1cc(-n2nnc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)n2)n(C)n1,AWGSHUHXGJCPRC-UHFFFAOYSA-N,3,1,0.303,98,507,454.433,2.072,6,0.393,0.66,0.933,0.01708244808443561,0.1758789664861901,0.03557843876362141,0.06987183880474265,0.07460292303474744
EOS-3-16101,COc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3cnc(C(C)(C)O)nc3)n12,NOMXJHNXYKNGAQ-UHFFFAOYSA-N,3,1,0.318,82,478,440.467,2.941,5,0.439,0.68,1.0,0.29581591391953943,0.08458124871496128,0.37302104036734973,0.17622164347885683,0.23240996162017682
EOS-3-16102,Cc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccccc5Cl)s4)n23)cn1,ZCDXQPPRBVVHSN-UHFFFAOYSA-N,3,1,0.5,4,534,435.9,4.246,5,0.407,0.82,1.0,0.5320317318895209,0.7176941265163457,0.2441487903502159,0.33663731067096153,0.457627989856761
EOS-3-16103,Cc1ccc(-c2nnc3cncc(OCc4nccnc4-c4cc(F)ccc4F)n23)cn1,JKNXZLDZPIYEBS-UHFFFAOYSA-N,3,1,0.489,4,71,431.406,3.809,5,0.418,0.71,1.0,0.7608971283668015,0.767125282708519,0.654992803783154,0.6395380714138853,0.7056383215680899
EOS-3-16104,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)nn2C)cn1,XQAKHASPEKHPIT-UHFFFAOYSA-N,3,1,0.418,31,235,447.89,2.96,5,0.391,0.71,1.0,0.3265026386128435,0.3283016928243438,0.14063463779041877,0.14721403604961963,0.23566325131930643
EOS-3-16105,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)c2)cs1,GDQWOSKZCHEFTH-UHFFFAOYSA-N,3,1,0.598,11,684,432.484,4.379,5,0.396,0.8,1.0,0.7695925570557193,0.820351586594476,0.5793468576519772,0.5237646494414365,0.6732639126859022
EOS-3-16106,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5)n4C)n23)cc1F,XMZVUEGLJSQDJE-UHFFFAOYSA-N,3,1,0.341,8,765,453.445,2.583,6,0.4,0.63,1.0,0.11241518744431499,0.27295079158385305,0.09845966691796312,0.14962134192310328,0.15836174696730862
EOS-3-16107,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)n1,PGNCMOBKUPQJAS-UHFFFAOYSA-N,3,1,0.296,76,892,433.439,2.501,6,0.412,0.67,0.88,0.06134774861215818,0.02354190939620314,0.058580631896374476,0.07941539305051058,0.05572142073881159
EOS-3-16108,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cn1,FYGIQZOJYHETRU-UHFFFAOYSA-N,3,1,0.321,10,37,420.44,2.834,6,0.432,0.74,1.0,0.01297889109725173,0.02592351449523679,0.1812846960455075,0.1981872387087931,0.10459358508669728
EOS-3-16110,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cc(-c4cccnc4)ccn3)n12,WAVIBKLPTYPVFF-UHFFFAOYSA-N,3,1,0.517,11,503,446.873,4.662,5,0.377,0.81,1.0,0.7839335891988212,0.8086234665204578,0.8463350695634295,0.8661675005140155,0.826264906449181
EOS-3-16111,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nn1,KBYTXDHVHGMVPU-UHFFFAOYSA-N,3,1,0.427,54,411,448.849,3.452,5,0.364,0.75,0.33,0.7462134192310328,0.7361815502707149,0.33180556507436093,0.4381296689740251,0.5630825508875335
EOS-3-16112,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4)n23)c(-c2ccncc2)n1,DKGFTUKTBVKKKO-UHFFFAOYSA-N,3,1,0.284,70,723,446.478,3.414,6,0.405,0.68,0.996,0.09255705571927901,0.0342762661914879,0.18129326297032416,0.18202145157974092,0.122537009115208
EOS-3-16113,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccnc(Cl)c5)n4)n23)cc1,FLCFDKICMYMCSL-UHFFFAOYSA-N,3,1,0.314,8,973,456.861,2.278,6,0.366,0.7,1.0,0.01795627441573573,0.14786512233568638,0.07299019943800973,0.12679905421150023,0.09140266260023301
EOS-3-16114,COc1cc(-c2nnnn2C)ccc1-c1nnc2cncc(OCCc3ccnn3C)n12,AMGTXVZIAJAWTJ-UHFFFAOYSA-N,3,1,0.494,36,447,432.448,1.345,5,0.375,0.73,1.0,0.26070865602083476,0.15180590775135358,0.03429340004112124,0.01555753546706874,0.11559137482009457
EOS-3-16115,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)c(C(F)(F)F)n1,UTZNWOIZDOUBAG-UHFFFAOYSA-N,3,1,0.34,82,243,467.436,4.095,5,0.426,0.72,1.0,0.23381707902131452,0.2272462476869303,0.7544805016791173,0.6248029607292166,0.46008669727914464
EOS-3-16116,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(COCc5ccc(F)c(F)c5)n4)n23)cc1,DCJYIYMJIZEYLU-UHFFFAOYSA-N,3,1,0.444,29,704,474.431,2.737,5,0.381,0.76,0.812,0.42957131108217395,0.3525289562058803,0.5125676787060517,0.46048934274552805,0.4387893221849085
EOS-3-16117,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)n[nH]1,MXZHUNYUMYNEGZ-UHFFFAOYSA-N,3,1,0.459,58,954,433.863,2.95,5,0.406,0.72,1.0,0.5918031663354122,0.7497943938043999,0.1314423274621342,0.15220855321773696,0.40631211020492075
EOS-3-16118,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cn4)n23)nc1,JIDHYYBVIFYXHN-UHFFFAOYSA-N,3,1,0.256,86,588,437.402,2.63,6,0.441,0.63,0.983,0.25286135288876704,0.2883798231786718,0.12017682132821603,0.17366013295867316,0.208769532588582
EOS-3-16119,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)n[nH]1,KWEJRAOLPOCIMT-UHFFFAOYSA-N,3,1,0.449,2,131,419.836,2.907,5,0.461,0.73,1.0,0.5634295113426084,0.5725275854979097,0.2843019669659379,0.30192413131382356,0.43054579878006993
EOS-3-16120,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c(Cl)c1,DZFHNCLVHCDJFT-UHFFFAOYSA-N,3,1,0.494,11,699,447.861,4.057,5,0.387,0.73,1.0,0.7783479542183538,0.8049653896237406,0.5466040710026728,0.6160903981906655,0.6865019532588582
EOS-3-16121,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)c1F,SJTSGELKWDNUCE-UHFFFAOYSA-N,3,1,0.27,30,298,452.428,4.379,6,0.395,0.75,0.822,0.02862209581248715,0.17137276403262286,0.6851912137619081,0.7585326571174011,0.4109296826811048
EOS-3-16122,COc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)ccn1,VHINFSHLFZGLCE-UHFFFAOYSA-N,3,1,0.37,25,508,461.489,3.719,6,0.382,0.75,1.0,0.18403467891165787,0.14787368926050304,0.38055136728120076,0.3397642382290453,0.26305599342060176
EOS-3-16123,Cn1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)s2)cn1,UBUMLAAGLLCRIU-UHFFFAOYSA-N,3,1,0.287,99,286,441.484,2.506,6,0.41,0.68,0.917,0.024021657185936535,0.04069289287917209,0.02947878829415393,0.026411829209786856,0.03015129189226235
EOS-3-16124,c1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nn2)ccn1,VSWAVNORQTZOAM-UHFFFAOYSA-N,3,1,0.273,86,790,419.412,2.286,6,0.423,0.72,1.0,0.005894044273867452,0.016020149407168803,0.16520457816462203,0.1820300185045576,0.09228719758755397
EOS-3-16125,c1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)nc2)nc1,XBBSHEACYXVWJU-UHFFFAOYSA-N,3,1,0.257,86,312,419.412,2.286,6,0.423,0.72,1.0,0.0037951476937838394,0.008669727914467823,0.11442841477623192,0.1310653827702008,0.06448966828867109
EOS-3-16126,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)nc1,LTNHEUWXRGPECL-UHFFFAOYSA-N,3,1,0.347,32,945,446.449,4.511,6,0.393,0.78,1.0,0.3340415324515112,0.3620553766020149,0.5566359399629909,0.594955794667946,0.46192216092111577
EOS-3-16127,Oc1cc(Cl)ccc1-c1nnc2cncc(-c3nc(-c4ccc(F)c(F)c4)no3)n12,GGEUZZBHKQMLJJ-UHFFFAOYSA-N,3,1,0.373,45,102,426.77,4.146,5,0.462,0.76,1.0,0.6173840038379823,0.7925947501884724,0.8205828935645261,0.8866595846754849,0.7793053080666164
EOS-3-16128,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6F)nc5)n34)nc2)cn1,RXGSFEJLGAIPGK-UHFFFAOYSA-N,3,1,0.316,86,967,450.441,3.245,6,0.376,0.71,1.0,0.11242375436913166,0.21171441299431157,0.3990045233363032,0.3785895414981838,0.2754330580494826
EOS-3-16129,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cc1,DUMQHKYUXIUKRR-UHFFFAOYSA-N,3,1,0.318,30,515,428.459,4.372,6,0.411,0.77,0.999,0.09499862929202933,0.10676958399013091,0.4314303337673909,0.485093550818998,0.2795730244671373
EOS-3-16130,Fc1cnc(OCc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)c(Cl)c1,IRCAIETYTHGYJK-UHFFFAOYSA-N,3,1,0.38,14,351,433.834,4.015,5,0.413,0.7,1.0,0.5634380782674251,0.6255054485641834,0.747472757179083,0.7637070797066685,0.6750308409293401
EOS-3-16131,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccnc(-c4cncnc4)c3)n12,CXBDNXBSDSJWLP-UHFFFAOYSA-N,3,1,0.518,59,577,433.834,4.015,5,0.413,0.7,1.0,0.8272479610718936,0.812589952710575,0.8463436364882462,0.8512182167089302,0.8343499417449112
EOS-3-16132,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)nn1,HZNHPKXZCRLXIV-UHFFFAOYSA-N,3,1,0.598,35,393,428.431,3.107,5,0.406,0.67,1.0,0.8731238434651497,0.8518350352957302,0.43914913302720854,0.409893084778288,0.643500274141594
EOS-3-16133,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)cn1,DMZNQVZKXDTKJN-UHFFFAOYSA-N,3,1,0.471,55,980,437.826,2.748,5,0.413,0.65,1.0,0.6312624220409842,0.6255140154890001,0.3769446919333836,0.4257504626139401,0.514867898019327
EOS-3-16134,Cn1nc(-c2ncc(F)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,OFQCGTCTBPPIDP-UHFFFAOYSA-N,3,1,0.556,36,404,437.826,2.748,5,0.413,0.65,0.999,0.6488246179151532,0.8384706325817285,0.229833458981564,0.3236669864985265,0.510198923994243
EOS-3-16135,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)nc2)nc1,QDUVFNUOMBXIJM-UHFFFAOYSA-N,3,1,0.276,32,693,453.416,3.979,6,0.43,0.69,1.0,0.26870159687478584,0.3478000137070797,0.6961311767527928,0.7269892399424303,0.5099055068192722
EOS-3-16136,Cc1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)o1,XEPSPZWENUZJMB-UHFFFAOYSA-N,3,1,0.418,54,483,437.822,3.916,5,0.407,0.71,1.0,0.7282228771160304,0.7268607360701802,0.5765112055376602,0.6007470358440135,0.6580854636419711
EOS-3-16137,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ncc(-c5ccsc5)cn4)n23)ccn1,PRZIXTLXQYKSMQ-UHFFFAOYSA-N,3,1,0.25,86,780,438.48,3.167,6,0.412,0.65,1.0,0.028630662737303816,0.017570762798985676,0.09357651977246248,0.12246419025426633,0.06556053389075459
EOS-3-16138,Cn1nc(-c2ccc(F)cc2F)nc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,RUYOURZZSJWKNY-UHFFFAOYSA-N,3,1,0.481,22,316,455.375,4.133,5,0.371,0.79,1.0,0.3734322527585498,0.6889520937564252,0.8604276608868481,0.8823846891919677,0.7012991741484477
EOS-3-16139,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ncc(-c5nncn5C)cc4F)n23)cc1,RUZHUGJJEAFRGK-UHFFFAOYSA-N,3,1,0.434,67,789,469.444,2.709,6,0.374,0.75,1.0,0.5552052635186073,0.5679100130217257,0.17161263792748954,0.15221712014255362,0.36173625865259407
EOS-3-16140,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncc(F)c5)n4)n23)cc1,KKDZYJBUTSHPQH-UHFFFAOYSA-N,3,1,0.42,14,357,473.899,3.991,5,0.414,0.75,1.0,0.3061476252484408,0.33283359605236107,0.6169213898978823,0.6007556027688301,0.4641645534918786
EOS-3-16141,Cc1nc(C2CC2)nc(-n2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,CDMWLYOXLXJQTK-UHFFFAOYSA-N,3,1,0.287,52,295,478.52,2.907,7,0.394,0.82,1.0,0.10491912822973065,0.03108080323487081,0.00394935234048386,0.007830169282434378,0.03694486327187992
EOS-3-16142,FC(F)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ncc(Cl)cn5)n4)n23)nc1,HUFNBTHFABVYBC-UHFFFAOYSA-N,3,1,0.283,50,206,438.789,3.086,5,0.416,0.64,0.06,0.27144301281611954,0.3906260708656021,0.35427660886848056,0.4480244671372764,0.36609253992186963
EOS-3-16143,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cn1,PKBHJOPYMKQYAI-UHFFFAOYSA-N,3,1,0.495,55,939,445.87,3.368,5,0.423,0.7,1.0,0.6117555342334315,0.5725361524227264,0.6550013707079707,0.6248115276540334,0.6160261462545404
EOS-3-16144,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)s1,HMVYXQIZYHCOMF-UHFFFAOYSA-N,3,1,0.256,98,495,453.495,2.871,6,0.396,0.67,1.0,0.05431430333767391,0.07763347268864368,0.02721712014255363,0.03634089507230485,0.04887644781029401
EOS-3-16145,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(OCCc3ncc(Cl)cn3)n12,KRUFAJZSJLZBIP-UHFFFAOYSA-N,3,1,0.556,73,795,438.81,3.045,5,0.394,0.71,1.0,0.8115190871084915,0.7625419779316017,0.302352477554657,0.3720701117126996,0.5621209135768624
EOS-3-16147,Cc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5F)c4)n23)nn1,XCJMNIOXHYENFF-UHFFFAOYSA-N,3,1,0.523,87,132,427.443,3.712,5,0.408,0.73,1.0,0.6401291892262353,0.6839318758138578,0.47763175930368035,0.4940117195531492,0.5739261359742307
EOS-3-16148,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cn5)n34)nc2)cs1,CPQKYKGSCBXKJX-UHFFFAOYSA-N,3,1,0.267,70,652,451.519,4.081,6,0.398,0.74,0.987,0.06135631553697485,0.09084367075594545,0.18783839353025839,0.15769138510040437,0.12443244123089577
EOS-3-16149,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)c2)n1C,DQKOJRZFGHXGPB-UHFFFAOYSA-N,3,1,0.608,43,250,449.877,4.267,5,0.398,0.74,1.0,0.728231444040847,0.8006733602905901,0.6137516277157151,0.6481049962305531,0.6976903570694264
EOS-3-16150,NC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccccc5Cl)o4)n23)c(F)c1,SQQNJIMBUXPJIP-UHFFFAOYSA-N,3,1,0.517,34,372,465.832,3.312,5,0.403,0.72,1.0,0.6428620382427523,0.5308237954903707,0.4277722568706737,0.4636248372284285,0.5162707319580563
EOS-3-16151,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)n1,HCAKJAKMLGLFLR-UHFFFAOYSA-N,3,1,0.552,35,161,435.394,3.444,5,0.4,0.74,1.0,0.8165564389006922,0.6740884791995065,0.5566445068878075,0.520680556507436,0.6419924953738606
EOS-3-16152,Fc1ccc(-c2nccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)n2)nc1,ROYIHQRRSUOKSG-UHFFFAOYSA-N,3,1,0.549,59,294,451.824,4.154,5,0.396,0.7,1.0,0.8710249468850662,0.792603317113289,0.8014186827496402,0.8403810568158454,0.8263570008909602
EOS-3-16153,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnn(C)n6)n5)n34)nc2)n1,XKPBOOHXHANBQP-UHFFFAOYSA-N,3,1,0.258,76,272,437.427,2.402,6,0.404,0.65,0.815,0.08519806730176135,0.05535090124049071,0.03972483037488863,0.03013844150503735,0.05260306010554452
EOS-3-16154,Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)cn1,ZZKZKYSGGBAXAL-UHFFFAOYSA-N,3,1,0.262,70,957,432.451,3.199,6,0.417,0.69,1.0,0.004600438626550614,0.005559934206017408,0.27697724624768694,0.2779710095264204,0.14127715715166883
EOS-3-16155,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)c2)nc1,RJNSDSGCSAWGBP-UHFFFAOYSA-N,3,1,0.422,46,949,435.81,2.805,5,0.41,0.63,1.0,0.5138869851278185,0.5354156671921048,0.3171989582619423,0.3816907682818176,0.4370480947159208
EOS-3-16156,Fc1cccc(-c2ncnnc2-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,PQVVPDMSRYVZOO-UHFFFAOYSA-N,3,1,0.421,46,212,435.81,2.805,5,0.41,0.67,1.0,0.5190014392433692,0.5354242341169214,0.29504489068603934,0.42264923583030634,0.443029949969159
EOS-3-16157,CCc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nn2C)cn1,UCAVPMFYYFDXFI-UHFFFAOYSA-N,3,1,0.441,31,658,427.472,2.561,5,0.39,0.73,1.0,0.19264443835240902,0.07053149201562607,0.06860393393187582,0.04362278116647248,0.09385066136659585
EOS-3-16158,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)nc4)n23)cc1,SOBYHEDNGWPRTG-UHFFFAOYSA-N,3,1,0.419,62,3,410.412,3.758,5,0.486,0.92,1.0,0.1952316496470427,0.19287574532245905,0.7426324446576656,0.7164005208690288,0.4617850901240491
EOS-3-16159,Cc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3cc(Cl)ccc3CO)n12,DPEDYCAQTNXODR-UHFFFAOYSA-N,3,1,0.329,96,648,430.899,4.313,5,0.459,0.73,1.0,0.2661229525049688,0.34294256733602907,0.7683674868069358,0.7558940442738674,0.5333317627304502
EOS-3-16160,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C)cc4Cl)n23)cn1,VHKGUJXFPZUUBT-UHFFFAOYSA-N,3,1,0.512,90,555,409.837,2.482,4,0.539,0.83,1.0,0.5527808237954903,0.4850507161949147,0.2769858131725036,0.1954201219930094,0.3775593687889795
EOS-3-16161,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(Cl)nc(-c5cc(F)ccn5)n4)n23)cc1,RTAYCVWFUMDJQU-UHFFFAOYSA-N,3,1,0.356,74,139,460.86,3.462,5,0.409,0.67,1.0,0.23107566307998081,0.29383695428688916,0.4391576999520252,0.43217565622644094,0.349061493386334
EOS-3-16162,CC(C)(O)c1ncc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cn1,IVJWVZKMZCKOPF-UHFFFAOYSA-N,3,1,0.512,68,811,429.843,2.618,4,0.465,0.65,1.0,0.7157751353574121,0.7084504146391611,0.4166695223082722,0.2957559454458228,0.534162754437667
EOS-3-16163,Cc1cc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)no1,RYGPVJJDWBHYKZ-UHFFFAOYSA-N,3,1,0.366,98,219,456.857,3.446,6,0.392,0.76,1.0,0.10736926872729764,0.3765934480159002,0.16843430882050578,0.29269755328627234,0.23627364471249399
EOS-3-16164,Cn1nnnc1-c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1Cl,INAQLLJBWMFJIA-UHFFFAOYSA-N,3,1,0.74,91,402,467.32,3.91,5,0.374,0.81,1.0,0.9083082036872044,0.9688163936673292,0.5053714618600507,0.6538619697073539,0.7590895072304845
EOS-3-16165,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)n1,OWXHRCNQUKSCIP-UHFFFAOYSA-N,3,1,0.353,38,787,431.463,3.804,6,0.418,0.7,1.0,0.0016876841888835584,0.023550476321019805,0.28802001233637176,0.3115190871084915,0.15619431498869166
EOS-3-16166,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)nn1,LRJOYBKRSWRHTB-UHFFFAOYSA-N,3,1,0.512,7,420,431.847,2.974,5,0.413,0.64,1.0,0.5115310808032348,0.5399304365704887,0.17162120485230623,0.17917723254060722,0.35056498869165925
EOS-3-16167,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncnn6)nn5)n34)c(Cl)c2)cn1,FWQVBQYIYSIWTL-UHFFFAOYSA-N,3,1,0.321,99,312,456.861,2.278,6,0.392,0.67,0.996,0.016122952504968816,0.15181447467617024,0.2190219998629292,0.3019326982386403,0.17222303132067712
EOS-3-16168,COc1ccc(-c2cn(C)nn2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,SOIHWHMFEABREN-UHFFFAOYSA-N,3,1,0.304,30,737,460.501,4.324,6,0.378,0.82,0.999,0.03216880268658762,0.012070797066684943,0.5017819203618669,0.45104859159756017,0.2492675279281749
EOS-3-16169,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)nc1,ZFNCUJNPOLISOA-UHFFFAOYSA-N,3,1,0.316,42,170,447.437,3.906,6,0.4,0.69,1.0,0.2821431019121376,0.3812966897402508,0.4982951819614831,0.5206891234322527,0.42060602426153104
EOS-3-16170,Fc1ccccc1-c1nccnc1-c1cncc2nnc(-c3ccc(-c4cccnn4)cn3)n12,SIEUGRRREDFOPN-UHFFFAOYSA-N,3,1,0.333,64,365,447.437,3.906,6,0.4,0.69,0.98,0.2579758070043177,0.3429511342608457,0.4277808237954904,0.5072733191693509,0.3839952710575012
EOS-3-16171,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)nc2)nn1,BPDMAUVFNJKYFR-UHFFFAOYSA-N,3,1,0.282,99,968,436.443,1.839,6,0.406,0.64,0.987,0.06136488246179152,0.023559043245836474,0.05494825577410733,0.04902851072578987,0.0472251730518813
EOS-3-16172,COc1ncc(F)cc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cn1,HCKARLFHUBVGCW-UHFFFAOYSA-N,3,1,0.5,35,657,443.442,3.413,5,0.377,0.72,1.0,0.8140120622301419,0.7796758275649373,0.4637704749503118,0.3590141182920979,0.6041181207593722
EOS-3-16173,COc1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1ccccn1,PULDFGDPWDBYST-UHFFFAOYSA-N,3,1,0.462,49,501,443.442,3.413,5,0.377,0.72,0.996,0.8008789664861902,0.592788362689329,0.37695325885820025,0.3083407580015078,0.5197403365088068
EOS-3-16174,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)n2)s1,GWSQGVJPOXKIRU-UHFFFAOYSA-N,3,1,0.415,33,53,445.468,2.086,5,0.415,0.63,0.889,0.31659070659995886,0.14410424234116923,0.026094852991570147,0.012036529367418272,0.12470658282502912
EOS-3-16175,Cc1ncc(-c2nnc3cncc(OCCc4cc(Cl)nc(C(C)(F)F)c4)n23)cn1,XHFQIQCDFUUNIS-UHFFFAOYSA-N,3,1,0.512,68,811,431.834,3.671,4,0.43,0.66,1.0,0.7951391268590227,0.8006819272154068,0.8032177369611404,0.6276643136179837,0.7566757761633883
EOS-3-16176,Fc1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc1-c1ccnnc1,TVCGKEZEYPVMBR-UHFFFAOYSA-N,3,1,0.536,16,89,435.369,3.64,5,0.389,0.72,1.0,0.9019686793228703,0.8782040298814338,0.9218182441230895,0.9048728668357207,0.9017159550407785
EOS-3-16177,c1cc(-c2nn[nH]n2)cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)s4)n23)c1,KPPVYQJDGZPHHB-UHFFFAOYSA-N,3,1,0.253,76,887,424.453,3.157,6,0.458,0.68,1.0,0.10237475155918031,0.14788225618531972,0.16844287574532246,0.2216863134809129,0.16009654924268385
EOS-3-16178,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccon5)cn4)n23)cn1,NHJQJAPAMNSLOA-UHFFFAOYSA-N,3,1,0.523,27,69,440.345,3.229,5,0.406,0.73,1.0,0.7068483996984443,0.6549499691590707,0.8014272496744569,0.6160989651154821,0.6948311459118636
EOS-3-16179,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c2)n[nH]1,XTVLLRQEUDNYGS-UHFFFAOYSA-N,3,1,0.523,43,521,435.85,4.256,5,0.443,0.73,1.0,0.8061990267973408,0.7754951682544033,0.7323778356521143,0.7508309917072168,0.7662257556027688
EOS-3-16180,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)cnn5)n34)c2)cc1,IGMCFZTYTYHATE-UHFFFAOYSA-N,3,1,0.456,19,207,432.394,2.938,5,0.403,0.65,1.0,0.6312709889658008,0.64980981426907,0.48479370845041464,0.5763655678157769,0.5855600198752655
EOS-3-16181,CC1CNCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,GTLKXXRWSQNVMC-UHFFFAOYSA-N,3,1,0.254,63,686,469.509,1.532,6,0.45,0.64,0.896,0.11243232129394833,0.006622232883284216,0.005902611198684121,0.006193886642450826,0.03278776300459187
EOS-3-16182,Cn1ncnc1-c1nccnc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,DXPSZQSWGGEOQY-UHFFFAOYSA-N,3,1,0.511,73,391,437.826,2.748,5,0.413,0.66,1.0,0.555213830443424,0.7315725447193475,0.21903056678774588,0.3269395517784936,0.45818912343225277
EOS-3-16183,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)cn1,MBTMXIZVIALGQZ-UHFFFAOYSA-N,3,1,0.542,55,283,430.859,3.579,5,0.39,0.74,1.0,0.6733003221163731,0.6889606606812418,0.4534558974710438,0.4162411760674388,0.5579895140840244
EOS-3-16184,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)cc1,MFSMHLZVMMWKHW-UHFFFAOYSA-N,3,1,0.292,30,195,416.448,4.101,6,0.43,0.83,0.988,0.000668220135700089,0.00867829483928449,0.5328884243711877,0.5635837159893085,0.2764546638338702
EOS-3-16185,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cc(Cl)ccc5OC)n4)n23)cc1,JWMUNAPVRXPRRI-UHFFFAOYSA-N,3,1,0.387,62,139,470.92,4.542,5,0.405,0.83,1.0,0.4742221232266466,0.4765009252278802,0.6634569255020218,0.5602854499348914,0.5436163559728601
EOS-3-16186,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nc5Cl)n34)cn2)o1,PSNKWCUXSPKJIO-UHFFFAOYSA-N,3,1,0.326,52,336,473.884,3.152,6,0.381,0.76,0.986,0.22006716469056267,0.20685696662326092,0.031680487972037555,0.06815845384140909,0.13169076828181756
EOS-3-16187,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)cn1,OZIBXDSNRQDWBC-UHFFFAOYSA-N,3,1,0.55,59,756,451.824,4.154,5,0.371,0.8,1.0,0.952033787951477,0.9744191624974299,0.8604362278116647,0.872575560276883,0.9148661846343636
EOS-3-16188,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncnn5C)ncc4Cl)n23)cn1,PZWUSIXUDSZTOF-UHFFFAOYSA-N,3,1,0.462,92,45,433.863,2.918,5,0.416,0.67,1.0,0.5014135425947502,0.572544719347543,0.23691830580494824,0.2364214241655815,0.3868244979782058
EOS-3-16189,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)cc2F)n[nH]1,BJMWCKKYPPQJMY-UHFFFAOYSA-N,3,1,0.473,47,606,434.41,3.445,5,0.452,0.7,1.0,0.7035672674936605,0.6790572955931738,0.5765197724624769,0.49402028647796586,0.6132911555068192
EOS-3-16190,Cn1nc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1-c1cncnc1,LEDXUOVXWAQBOL-UHFFFAOYSA-N,3,1,0.404,31,462,451.853,2.791,5,0.387,0.7,0.968,0.39806216160646973,0.3813052566650675,0.317207525186759,0.37522274004523337,0.36794942087588245
EOS-3-16191,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nc(C)n2)nc1,CIMPDNHSAYTVSU-UHFFFAOYSA-N,3,1,0.511,44,531,441.47,4.021,5,0.393,0.72,1.0,0.682458364745391,0.48505928311973134,0.4166780892330889,0.3880902611198684,0.4930714995545199
EOS-3-16192,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(Cl)c1,UJFUKNJVLDYEJQ-UHFFFAOYSA-N,3,1,0.54,26,161,449.877,4.001,5,0.389,0.72,1.0,0.8115276540333082,0.7755037351792201,0.7705520526351861,0.7662685902268521,0.7809630080186416
EOS-3-16193,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)cc1,MKWIBUDRFGWYJD-UHFFFAOYSA-N,3,1,0.321,94,507,438.39,1.82,6,0.4,0.64,0.911,0.017091015009252277,0.15182304160098692,0.06861250085669249,0.14222808580631896,0.09493866081831266
EOS-3-16194,Cn1cc(-c2cncc3nnc(-c4ncc(-c5nncn5C)cc4F)n23)c(-c2ccc(F)cc2)n1,ZJYKUPDVIQXEME-UHFFFAOYSA-N,3,1,0.314,98,314,470.447,3.328,6,0.389,0.72,1.0,0.11537934343088205,0.3236926872729765,0.3504471934754301,0.4289459255705572,0.3046162874374615
EOS-3-16195,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(F)c4)n23)cc1,XKPYVUPNLFNTIG-UHFFFAOYSA-N,3,1,0.478,0,646,409.852,3.924,4,0.542,0.84,1.0,0.422554999657323,0.48090432458364746,0.7635528750599685,0.735299157014598,0.6005778390788843
EOS-3-16196,Fc1cc(Cl)ccc1Cc1cncc2nnc(-c3cnc(-c4ccccc4F)cn3)n12,SRWDLZNOVRSTFU-UHFFFAOYSA-N,3,1,0.342,45,358,434.837,4.771,5,0.407,0.75,1.0,0.3756682201357001,0.49921184291686654,0.9032280172709204,0.9458741690082928,0.6809955623329449
EOS-3-16197,Cn1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(-c6cccnc6)cn5)n34)cn2)cn1,FIJCRDIZZXVIRW-UHFFFAOYSA-N,3,1,0.37,42,809,445.49,3.635,6,0.399,0.72,1.0,0.07074566513604276,0.06320677129737509,0.41668665615790557,0.38169933520663424,0.2330846069494894
EOS-3-16198,COc1cc(-c2nnc3cncc(OCc4ccc(-c5nnn(C)n5)nc4)n23)ccc1Cl,VCAKAVYHWYAUJS-UHFFFAOYSA-N,3,1,0.506,36,258,449.862,2.618,5,0.385,0.72,1.0,0.560396819957508,0.6397351106846686,0.24415735727503254,0.22169488040572957,0.41649604208073465
EOS-3-16199,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ccc2F)cn1,XVPFQULKNQAFPO-UHFFFAOYSA-N,3,1,0.54,16,55,431.406,3.809,5,0.391,0.73,1.0,0.8864282777054349,0.7755123021040368,0.7843962031389212,0.72436776094853,0.7926761359742307
EOS-3-16200,Cn1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)cn2)cn1,BKIGJXBBKMIMDC-UHFFFAOYSA-N,3,1,0.253,86,421,423.4,2.094,6,0.414,0.69,1.0,0.095007196216846,0.04070145980398876,0.09588958947296279,0.08999554519909533,0.08039844767322321
EOS-3-16201,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)nc2)cc1,KUURQTFNLMJRNU-UHFFFAOYSA-N,3,1,0.276,30,952,418.424,2.891,6,0.429,0.75,1.0,0.01056301829895141,0.01919847851415256,0.11443698170104859,0.19542868891782605,0.08490679185799466
EOS-3-16202,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)c6)nn5)n34)cc2)n1C,LCYNQRHYXRGCDZ-UHFFFAOYSA-N,3,1,0.421,8,474,464.468,3.553,6,0.389,0.69,1.0,0.18684463025152492,0.32370125419779316,0.2513021725721335,0.30834932492632444,0.267549345486944
EOS-3-16203,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4)n23)n1,LJNPIROTAQDRAE-UHFFFAOYSA-N,3,1,0.484,65,262,429.419,2.502,5,0.401,0.71,1.0,0.8245408128298266,0.7883198547049551,0.13145089438695087,0.11072750325543143,0.46375976629429094
EOS-3-16206,Clc1cnc(-c2cncc3nnc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)nc1,WXDUBGVLQHOZGP-UHFFFAOYSA-N,3,1,0.282,50,261,423.227,2.802,5,0.403,0.7,0.629,0.22860838873278047,0.2572133506956343,0.11444554862586526,0.2662514563772188,0.21662968610787472
EOS-3-16207,Cc1noc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cc5)n34)n2)n1,JPFAGYGPMSTOCD-UHFFFAOYSA-N,3,1,0.333,38,865,449.478,3.921,6,0.398,0.73,1.0,0.22566136659584676,0.11000788157083133,0.1496984442464533,0.11786375162771572,0.15080786101021176
EOS-3-16209,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,NMDDTYFIBBPBMP-UHFFFAOYSA-N,3,1,0.39,18,367,448.849,3.452,5,0.389,0.67,1.0,0.6518658762250702,0.6211534507573162,0.46377904187512853,0.5442653005277226,0.5702659173463094
EOS-3-16210,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)nc1,NPBDABOELYOKAA-UHFFFAOYSA-N,3,1,0.522,87,930,432.394,2.938,5,0.403,0.68,1.0,0.8165650058255088,0.8488194777602632,0.3616013295867315,0.3817079021314509,0.6021734288259886
EOS-3-16211,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2)n1,SXYSZLVLRGDJHA-UHFFFAOYSA-N,3,1,0.46,53,587,432.835,2.369,5,0.408,0.63,0.349,0.42491947090672333,0.5037694469193338,0.07945822767459393,0.1202367898019327,0.28209598382564594
EOS-3-16212,COc1cc(-c2nnc3cncc(OCc4ccc(C)cn4)n23)ccc1-c1cscn1,MDAQKFUEIGRQFS-UHFFFAOYSA-N,3,1,0.551,89,61,430.493,4.206,5,0.399,0.8,1.0,0.3894438352409019,0.2831368651908711,0.477640326228497,0.3115276540333082,0.3654371701733945
EOS-3-16213,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)ncc1Cl,LETPXAZHHGXVSY-UHFFFAOYSA-N,3,1,0.506,55,469,433.834,4.015,5,0.413,0.71,1.0,0.642870605167569,0.7963213624837229,0.777568364060037,0.7829055582208211,0.7499164724830375
EOS-3-16214,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cc(-c5ccc(C)nn5)nc(F)n4)n23)cc1,WWWKNSMVRFMXPL-UHFFFAOYSA-N,3,1,0.392,89,310,457.429,2.638,5,0.395,0.65,1.0,0.6766414227948736,0.44566856281269274,0.21903913371256253,0.1107360701802481,0.3630212973750942
EOS-3-16215,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)c2)nc1,QLYXUVNJHGQHPC-UHFFFAOYSA-N,3,1,0.47,2,491,448.849,3.718,5,0.4,0.69,1.0,0.7951476937838393,0.7498029607292166,0.5793554245767939,0.5827993283530943,0.6767763518607359
EOS-3-16216,Clc1cnnc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,HXMXXJYTIGSALW-UHFFFAOYSA-N,3,1,0.351,3,689,452.869,3.544,6,0.399,0.7,1.0,0.04941402234253992,0.24235830306353232,0.19116236035912548,0.39139709409910217,0.21858294496607497
EOS-3-16217,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnn(C)n5)cn4)n23)cc1,ZWIMVTWXVOYHGE-UHFFFAOYSA-N,3,1,0.346,74,918,412.417,1.403,5,0.469,0.79,1.0,0.1537677335343705,0.0442310328284559,0.06862106778150914,0.03014700842985402,0.07419171064354739
EOS-3-16218,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cncnn6)n5)n34)nc2)cc1,GWVVMLCMKIWKGQ-UHFFFAOYSA-N,3,1,0.295,98,952,454.845,2.334,6,0.39,0.66,0.479,0.01528339387293537,0.1330357754780344,0.08432424097046125,0.21613494619971216,0.1121945891302858
EOS-3-16219,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5F)nc4)n23)cc1,AFFFGCJGUATZKR-UHFFFAOYSA-N,3,1,0.548,1,230,423.411,3.838,5,0.396,0.79,1.0,0.9614831060242616,0.9007864436981701,0.8479285175793297,0.807458364745391,0.8794141080117881
EOS-3-16220,NC(=O)c1nc(-c2nnc3cncc(Cc4cc(C(F)(F)F)c(Cl)nn4)n23)ccc1Cl,XXZRTNHGUDSNIH-UHFFFAOYSA-N,3,1,0.375,66,455,469.214,2.992,4,0.487,0.57,0.999,0.26613151942978547,0.4234630936878898,0.7474813241038997,0.7508395586320334,0.5469788739634022
EOS-3-16221,COc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)cc5F)c4)n23)c1,OOJFEPIWHFUCNI-UHFFFAOYSA-N,3,1,0.495,97,183,442.454,4.283,5,0.388,0.78,1.0,0.8415204578164622,0.7585155232677678,0.7799499691590707,0.645346446439586,0.7563330991707217
EOS-3-16222,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)n1,DAQCMJNGAUKLOX-UHFFFAOYSA-N,3,1,0.475,87,304,433.863,2.95,5,0.434,0.69,1.0,0.637122198615585,0.7315811116441642,0.17812350078815709,0.20711397436776094,0.43848519635391675
EOS-3-16223,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cc[nH]n5)ncn4)n23)cn1,PWUFJMYJNUGVQL-UHFFFAOYSA-N,3,1,0.272,86,812,421.428,2.434,6,0.46,0.7,0.825,0.10238331848399698,0.07415530121307655,0.13145946131176753,0.122472757179083,0.10761770954698102
EOS-3-16224,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncnc4-c4ccccc4O)n23)cc1,VDVAMFMFMUVZKK-UHFFFAOYSA-N,3,1,0.308,9,642,447.462,3.416,6,0.437,0.65,1.0,0.20355870056884381,0.07416386813789322,0.3279418819820437,0.3332962099924611,0.23474016517031046
EOS-3-16225,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1F,CPWCSXXNJPFJSP-UHFFFAOYSA-N,3,1,0.565,35,353,433.422,3.487,5,0.408,0.67,1.0,0.8864368446302515,0.8125985196353916,0.7039699129600439,0.662523130697005,0.766382101980673
EOS-3-16226,Cc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n1,SKTQWIXMFJHRTH-UHFFFAOYSA-N,3,1,0.438,18,181,443.898,4.227,5,0.388,0.73,1.0,0.6824669316702077,0.5974487697895964,0.5017904872866835,0.5072818860941677,0.5722470187101638
EOS-3-16227,Fc1cnc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ccnnc5)c4)n23)nc1,WKZJNKCXINYTRZ-UHFFFAOYSA-N,3,1,0.243,86,249,438.39,1.82,6,0.4,0.63,1.0,0.017964841340552394,0.06692481666780892,0.14064320471523542,0.1791857994654239,0.10117966554725516
EOS-3-16228,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ncn2)cc1,WXYDHMOULVEDDU-UHFFFAOYSA-N,3,1,0.494,44,488,434.381,4.245,5,0.412,0.74,0.892,0.8864454115550682,0.8350695634295113,0.9296312795558906,0.9331608525803577,0.896076776780207
EOS-3-16229,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cn1,IHQNEKARFVWEGZ-UHFFFAOYSA-N,3,1,0.538,65,981,430.447,3.051,5,0.408,0.72,1.0,0.5296501267904873,0.5081728462751011,0.3425913234185457,0.2838479199506545,0.41606555410869717
EOS-3-16230,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nc4)n23)nc1,FYAWLLATWJWVJC-UHFFFAOYSA-N,3,1,0.427,46,62,432.394,3.555,5,0.401,0.71,1.0,0.6672006716469057,0.4765094921526969,0.7821516688369543,0.6886094167637585,0.6536178123500789
EOS-3-16231,Cn1ncnc1-c1ncccc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,HIXMNXLMRANRSQ-UHFFFAOYSA-N,3,1,0.56,16,391,436.838,3.353,5,0.417,0.66,1.0,0.7220461243232129,0.8203601535192927,0.44972071825097665,0.5206976903570695,0.6282061716126379
EOS-3-16232,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)cc1,ARRWKJXKKHICNS-UHFFFAOYSA-N,3,1,0.359,25,791,449.453,3.85,6,0.403,0.68,1.0,0.21196285381399493,0.3429597011856624,0.42429408539510655,0.5237732163662532,0.37574746419025423
EOS-3-16233,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4F)n23)nc1,PMZUPHRILGIVCW-UHFFFAOYSA-N,3,1,0.322,98,314,452.457,3.188,6,0.405,0.66,1.0,0.20916146939894456,0.34296826811047904,0.4026111986841204,0.3880988280446851,0.33570994105955726
EOS-3-16234,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(Oc4cncc(F)c4)n23)n1,SMICGCAKPHKGQB-UHFFFAOYSA-N,3,1,0.366,46,330,418.367,3.417,5,0.437,0.75,1.0,0.6944434925639092,0.5445308751970392,0.47413645397847987,0.4879377698581317,0.55026214789939
EOS-3-16235,COc1cc(-c2nnc3cncc(OCc4cnncn4)n23)ccc1-c1cc(F)ccn1,XVSVFCIAHHAKIH-UHFFFAOYSA-N,3,1,0.457,4,224,430.403,2.765,5,0.401,0.67,1.0,0.7839421561236378,0.6116698649852649,0.5053800287848674,0.40990165170310466,0.5777234253992187
EOS-3-16236,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cn1,APOJKVXCSXRILT-UHFFFAOYSA-N,3,1,0.296,94,892,433.439,2.501,6,0.412,0.68,0.999,0.10492769515454732,0.05535946816530738,0.08664587759577821,0.10617846617778082,0.08827787677335344
EOS-3-16237,CC(C)(O)c1ccc(-c2nnc3cncc(Cn4ccnc4-c4ccc(F)cc4F)n23)cn1,KDOGGXIDBAMPNV-UHFFFAOYSA-N,3,1,0.361,85,81,447.449,3.604,5,0.442,0.66,1.0,0.354910561304914,0.485067850044548,0.7705606195600028,0.6538705366321705,0.5661023918854088
EOS-3-16239,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccccc5Cl)n34)n2)cn1,PBSBVYCGKMZSTF-UHFFFAOYSA-N,3,1,0.506,16,446,418.848,3.214,5,0.432,0.75,1.0,0.3709735453361661,0.5354328010417381,0.33901034884517856,0.37523130697005,0.4051620005482832
EOS-3-16240,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccn1,LRXAIIGBQPIUAJ-UHFFFAOYSA-N,3,1,0.62,16,32,418.848,3.214,5,0.432,0.75,1.0,0.772488177643753,0.7963299294085395,0.3652851072578987,0.4162497429922555,0.5875882393256117
EOS-3-16241,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)nn1,QSYFDLXZVBEYLG-UHFFFAOYSA-N,3,1,0.406,14,18,413.416,3.67,5,0.434,0.89,1.0,0.4503889383866767,0.5495339592899733,0.5532777054348571,0.547323692687273,0.525131073949695
EOS-3-16242,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)o5)nc4)n23)cn1,TYQISQWXJUPDNE-UHFFFAOYSA-N,3,1,0.341,82,514,412.413,2.571,5,0.478,0.81,0.999,0.22268864368446303,0.0939705983140292,0.13439791652388458,0.06816702076622576,0.12980604482215063
EOS-3-16243,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)cnc4F)n23)cc1F,ZTZKAVOUCRWDGD-UHFFFAOYSA-N,3,1,0.38,66,685,474.393,3.966,5,0.35,0.86,1.0,0.3087091357686245,0.45000342676992666,0.9404084709752587,0.9266328558700568,0.6564384723459666
EOS-3-16244,N#Cc1cncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n1,JWWQYESNNNRJLQ-UHFFFAOYSA-N,3,1,0.484,20,658,439.414,2.671,5,0.392,0.66,1.0,0.8008875334110068,0.8314800219313275,0.4675142210951957,0.45426975532862723,0.6385378829415393
EOS-3-16245,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(F)cn4)n23)cc1F,PYWJAEBRLMVSOD-UHFFFAOYSA-N,3,1,0.511,20,353,434.41,2.882,5,0.405,0.66,1.0,0.8165735727503255,0.7712888081694195,0.4461568775272428,0.4193766705503392,0.6133489822493317
EOS-3-16246,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)n2)c1,SNPGSIVNWKBLKY-UHFFFAOYSA-N,3,1,0.333,3,158,441.842,3.742,6,0.406,0.71,1.0,0.04942258926735659,0.22190905352614626,0.31330100747035844,0.46689740250839556,0.2628825131930642
EOS-3-16247,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5nccnc5Cl)ncc4F)n23)cn1,MECDWPLMRHAHCF-UHFFFAOYSA-N,3,1,0.365,85,674,432.85,3.73,5,0.427,0.66,0.998,0.41106675347817145,0.4588016585566445,0.5125762456308683,0.5538431224727571,0.4840719450346103
EOS-3-16248,COc1ccnnc1COc1cncc2nnc(-c3ccc(F)c(-c4cnc(C)nc4)c3)n12,NJAFARRCVJESEJ-UHFFFAOYSA-N,3,1,0.457,4,253,444.43,3.073,5,0.39,0.7,1.0,0.7068569666232609,0.7455280652456994,0.4391662668768419,0.32367555342334314,0.5538067130422863
EOS-3-16249,COc1cc(COc2cncc3nnc(-c4cc(-c5ccc(C)nn5)ncn4)n23)ccc1F,AUJQJENQVZLGDD-UHFFFAOYSA-N,3,1,0.402,44,488,444.43,3.073,5,0.39,0.7,0.701,0.697390514700843,0.5495425262147899,0.45346446439586047,0.33011788088547733,0.5076288465492427
EOS-3-16250,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cn5)n34)nc2)on1,KLJASNFPOJXNCO-UHFFFAOYSA-N,3,1,0.271,70,652,435.451,3.612,6,0.413,0.69,1.0,0.06869817010485917,0.04071002672880543,0.22610684668631348,0.1846943321225413,0.13005234391062984
EOS-3-16251,N#Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)cn1,XBOBDSPHSMRJIV-UHFFFAOYSA-N,3,1,0.44,13,412,444.817,4.1,5,0.407,0.7,1.0,0.7979490781988897,0.940579809471592,0.8171646905626756,0.8222191762045097,0.8444781886094167
EOS-3-16252,Cn1ccnc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,NKGKRMRKWSCDDK-UHFFFAOYSA-N,3,1,0.56,35,161,433.422,3.487,5,0.408,0.68,1.0,0.6612552258241382,0.5445394421218559,0.6933383592625592,0.6594047700637379,0.6396344493180728
EOS-3-16253,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1F,XQBZMIQJHXUNJR-UHFFFAOYSA-N,3,1,0.547,26,125,433.422,3.487,5,0.408,0.68,1.0,0.8245493797546433,0.6839404427386745,0.7844047700637379,0.7431036255225825,0.7589995545199095
EOS-3-16254,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(F)nc5)n4)n23)cc1,VBJPUTDBOOMJSA-UHFFFAOYSA-N,3,1,0.326,98,213,451.429,2.64,6,0.372,0.68,1.0,0.18404324583647455,0.24751559180316635,0.23692687272976493,0.28385648687547116,0.23808554931121922
EOS-3-16255,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,LMLOBRBTAIORCQ-UHFFFAOYSA-N,3,1,0.358,53,643,448.878,2.53,5,0.369,0.7,0.743,0.3113477486121582,0.23697827427866494,0.08665444452059488,0.10618703310259749,0.18529187512850387
EOS-3-16256,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5)cc4OC)n23)nc1,IZIZRFPUNGGKER-UHFFFAOYSA-N,3,1,0.346,62,504,479.5,3.474,5,0.382,0.88,0.97,0.23672983345898158,0.09702042354876293,0.3354036734973614,0.1522256870673703,0.20534490439311906
EOS-3-16257,Cc1cc(-c2nnc3cncc(-c4cnc(OCCC(F)F)cn4)n23)ccc1Cl,WPXZTHNETIELQP-UHFFFAOYSA-N,3,1,0.375,68,861,416.819,4.244,4,0.467,0.84,1.0,0.7035758344184772,0.8641628401069152,0.8187410047289425,0.820274484271126,0.8016885408813652
EOS-3-16258,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5ccncc5Cl)n34)c2)n(C)n1,KKZMIFVXLUXYEX-UHFFFAOYSA-N,3,1,0.483,16,506,431.887,4.128,5,0.416,0.74,1.0,0.47664656294976354,0.4634534987320951,0.6108645740524982,0.582807895277911,0.5334431327530669
EOS-3-16259,Fc1ccc(-c2cnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2)cc1F,NIXICMVZHFLPIF-UHFFFAOYSA-N,3,1,0.494,73,89,451.824,4.154,5,0.396,0.72,1.0,0.8415290247412789,0.7361901171955315,0.8463522034130628,0.8780498252347337,0.8255302926461517
EOS-3-16260,Cn1cc(-c2cncc(-c3cncc4nnc(-c5cc(-c6cccnn6)ccc5F)n34)c2)cn1,YLATVVSECRBAHK-UHFFFAOYSA-N,3,1,0.302,42,967,449.453,3.85,6,0.403,0.72,1.0,0.12331231581111644,0.22191762045096292,0.6745339592899733,0.6625316976218216,0.4205738982934686
EOS-3-16261,N#Cc1cc(CO)nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,YBWRBHPPHXYCOY-UHFFFAOYSA-N,3,1,0.333,63,437,412.413,1.504,5,0.502,0.84,1.0,0.21739428414776232,0.12269549722431636,0.0751576314166267,0.10205777534096361,0.12932629703241724
EOS-3-16262,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(F)c(Cl)cc4Cl)n23)c(F)c1,AVRAAWTXFKKPOM-UHFFFAOYSA-N,3,1,0.337,45,252,459.247,4.234,5,0.376,0.78,0.999,0.33874477417586185,0.5679185799465424,0.8543708450414639,0.9286632170516071,0.6724243540538688
EOS-3-16263,FC(F)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)nc1,LEBZAEMFOMJOHV-UHFFFAOYSA-N,3,1,0.411,51,435,433.382,2.95,5,0.398,0.67,0.999,0.5348074155301213,0.48971112329518196,0.5396477280515386,0.46363340415324517,0.5069499177575217
EOS-3-16264,c1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnncn6)ccn5)n34)cc2)cn1,XNXSKVXCEIQEHT-UHFFFAOYSA-N,3,1,0.315,42,50,430.435,3.162,6,0.415,0.66,1.0,0.12605373175245013,0.09397916523884586,0.4062435748063875,0.39715406757590294,0.25585763484339663
EOS-3-16265,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)nc1,HTKCPZAXIBGCJL-UHFFFAOYSA-N,3,1,0.297,86,780,440.456,1.957,6,0.4,0.64,1.0,0.06480878623809197,0.110016448495648,0.019326982386402576,0.023687547118086492,0.05445994105955725
EOS-3-16266,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)no5)n34)cc2)nc1,MPOMAPIOXHCGHD-UHFFFAOYSA-N,3,1,0.488,40,8,449.434,3.272,6,0.373,0.76,1.0,0.41325988623123844,0.4096789116578713,0.15565245699403743,0.14465252552943594,0.28081094510314575
EOS-3-16267,Cc1ncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nc5)n34)cn2)nn1,ITBMNNOYDWKPTQ-UHFFFAOYSA-N,3,1,0.259,99,780,449.442,1.599,6,0.386,0.66,1.0,0.0830049345486944,0.023567610170653144,0.017570762798985676,0.01345007196216846,0.03439834487012542
EOS-3-16268,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)nc2)n1,KODVCKRWPHMSMF-UHFFFAOYSA-N,3,1,0.276,70,968,420.44,3.039,6,0.466,0.69,1.0,0.056061956000274145,0.06321533822219176,0.25131073949695015,0.22170344733054623,0.14807287026249058
EOS-3-16270,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)cn4)n23)cc1F,WUSZYALMFDGFCG-UHFFFAOYSA-N,3,1,0.338,22,844,422.374,3.726,5,0.439,0.74,1.0,0.2607172229456514,0.42347166061270647,0.8244380097320266,0.8054622712631074,0.578522291138373
EOS-3-16271,Cc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,BJDXGYZAPQGPLS-UHFFFAOYSA-N,3,1,0.375,53,602,445.874,3.017,5,0.388,0.67,1.0,0.4791309711465972,0.5081814131999177,0.21227126310739497,0.2570505791241176,0.36415855664450686
EOS-3-16272,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)nn1,WGCWRJRHAFJSSI-UHFFFAOYSA-N,3,1,0.484,37,563,434.41,2.882,5,0.405,0.66,1.0,0.4989377013227332,0.4809128915084641,0.4776488931533137,0.47307415530121305,0.48264341032143104
EOS-3-16273,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)cc1,UFRNSOZLMLIUOO-UHFFFAOYSA-N,3,1,0.316,98,927,422.416,1.624,6,0.416,0.7,1.0,0.01446953601535193,0.028339387293537112,0.02107463504900281,0.024612774998286614,0.022124083339044615
EOS-3-16274,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cc2)nn1,XBADHMYHQHUMTP-UHFFFAOYSA-N,3,1,0.32,98,882,422.416,1.624,6,0.416,0.7,1.0,0.0012936056473168392,0.00930368035090124,0.1201853882530327,0.12480296072921664,0.06389640874511686
EOS-3-16275,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,VHWOHPRGDVBZFS-UHFFFAOYSA-N,3,1,0.536,43,630,437.385,3.583,5,0.391,0.71,1.0,0.6001730518812967,0.5831248714961278,0.8574206702761976,0.8262541977931601,0.7167431978616955
EOS-3-16276,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cc1,PFTNZIMKTDIKJD-UHFFFAOYSA-N,3,1,0.612,90,133,410.384,2.446,4,0.525,0.79,1.0,0.6886008498389418,0.35760914262216437,0.5793639915016106,0.4510571585223768,0.5191577856212735
EOS-3-16277,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3cncc(F)c3)n12,VWUOVQVIMXXJBP-UHFFFAOYSA-N,3,1,0.516,35,604,445.458,3.356,5,0.379,0.73,1.0,0.6914622027277089,0.49922040984168325,0.5053885957096841,0.37859810842300046,0.5186673291755192
EOS-3-16278,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnn(-c6ncccn6)n5)n34)cc2)nc1,PVIXHVJWJOIGLT-UHFFFAOYSA-N,3,1,0.473,40,120,448.45,2.803,6,0.378,0.71,1.0,0.23108423000479747,0.2219261873757796,0.09846823384277979,0.10619560002741416,0.16441856281269274
EOS-3-16279,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6c[nH]cn6)cc5)n34)nn2)c(F)c1,PMNZPFVXZAANCE-UHFFFAOYSA-N,3,1,0.314,3,783,441.405,3.707,6,0.448,0.65,1.0,0.03613528887670482,0.19288431224727573,0.7039784798848605,0.7611113014872182,0.42352734562401484
EOS-3-16280,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cn4)n23)cc1,IRABRZSLVPFDMN-UHFFFAOYSA-N,3,1,0.337,25,791,465.908,4.364,6,0.381,0.81,1.0,0.13441505037351792,0.2778939072030704,0.4708210540744294,0.6133404153245151,0.37411760674388317
EOS-3-16281,Fc1ccc(-n2ncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)nc1,NSHSVPHSOFUSAJ-UHFFFAOYSA-N,3,1,0.517,73,391,440.801,3.278,5,0.414,0.7,1.0,0.5244928380508532,0.7361986841203482,0.6017579329723802,0.6999091905969433,0.6405896614351313
EOS-3-16282,N#Cc1c(F)ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1F,APAGJMYNOUOERL-UHFFFAOYSA-N,3,1,0.549,97,521,441.401,3.977,5,0.407,0.71,1.0,0.9677712288396957,0.9348228359947913,0.930522239736824,0.9001182235624701,0.9333086320334452
EOS-3-16283,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(F)cn2)n1C,VYIHHTBGWRIRBL-UHFFFAOYSA-N,3,1,0.522,89,250,459.445,2.107,5,0.407,0.63,1.0,0.5138955520526352,0.2729593585086697,0.1435473922280858,0.09590672332259612,0.2565772565279967
EOS-3-16286,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5c[nH]nn5)nn4)n23)cc1,NBHHFPFCSYOSGM-UHFFFAOYSA-N,3,1,0.32,74,295,425.416,1.321,6,0.424,0.71,0.998,0.07453224590500994,0.02834795421835378,0.014658008361318621,0.025512302104036735,0.035762627647179766
EOS-3-16287,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1,NNSBBNLKFHXYBO-UHFFFAOYSA-N,3,1,0.529,37,734,450.865,3.396,5,0.391,0.67,1.0,0.8220478377081762,0.7712973750942361,0.4534730313206771,0.4971472140360496,0.6359913645397848
EOS-3-16288,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cn1,LBFRUOFGYXICMA-UHFFFAOYSA-N,3,1,0.325,86,812,422.412,2.699,6,0.421,0.72,1.0,0.19811870331025974,0.10011308340758002,0.1257967240079501,0.12024535672674937,0.1360684668631348
EOS-3-16289,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)cn1,ZDGSLDXFIIWBFU-UHFFFAOYSA-N,3,1,0.325,86,812,422.412,2.699,6,0.421,0.72,1.0,0.19812727023507642,0.10012165033239669,0.12580529093276677,0.12025392365156604,0.13607703378795147
EOS-3-16290,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)nn1,NSSNREOKECOEEQ-UHFFFAOYSA-N,3,1,0.324,38,42,422.412,2.699,6,0.421,0.72,1.0,0.08520663422657802,0.06322390514700843,0.19117092728394217,0.18203858542937426,0.13041001302172572
EOS-3-16291,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)n1,FPPXVBZVWHTFKF-UHFFFAOYSA-N,3,1,0.703,43,11,419.395,3.444,5,0.434,0.75,1.0,0.6733088890411898,0.5927969296141457,0.7521588650538003,0.7138475772736619,0.6830280652456995
EOS-3-16292,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)cn1,PZVRYVOPLKEXRH-UHFFFAOYSA-N,3,1,0.522,65,282,428.431,3.107,5,0.406,0.7,1.0,0.8731324103899664,0.8668357206497156,0.42778939072030703,0.35902268521691455,0.6316950517442259
EOS-3-16293,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)n2)cc1Cl,DMFCGCUXVWIBEF-UHFFFAOYSA-N,3,1,0.288,10,871,458.848,3.617,6,0.429,0.67,0.126,0.06307826742512508,0.22725481461174696,0.47765746007813037,0.579638133095744,0.33690716880268656
EOS-3-16294,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)n(C(F)F)n1,LUYMPRHYAWNJDE-UHFFFAOYSA-N,3,1,0.405,22,542,439.817,3.864,5,0.419,0.7,0.982,0.3061561921732575,0.5171338496333356,0.3843893495990679,0.4909790281680488,0.42466460489342744
EOS-3-16295,Cn1c(-c2ccccc2F)nnc1-c1cncc2nnc(-c3ccc(-c4cocn4)cc3)n12,IMKBEUTXYGZCSG-UHFFFAOYSA-N,3,1,0.395,3,474,438.426,4.048,6,0.409,0.7,1.0,0.2226972106092797,0.35253752313069703,0.3542851757932972,0.4604979096703447,0.34750445480090464
EOS-3-16297,Fc1cccc(-c2nncnc2-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,INVIDAYYJBMAPK-UHFFFAOYSA-N,3,1,0.393,45,730,421.798,4.242,5,0.433,0.77,1.0,0.4088479199506545,0.6740970461243232,0.8334418477143445,0.9203018984305393,0.7091721780549654
EOS-3-16298,Clc1cccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,GINLABLRUYEEOS-UHFFFAOYSA-N,3,1,0.326,10,543,453.857,3.144,6,0.426,0.66,0.286,0.19813583715989308,0.34297683503529575,0.21904770063737922,0.35255465698033034,0.2781787574532246
EOS-3-16299,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)cn2)n1,UWUWOXIKRKBACF-UHFFFAOYSA-N,3,1,0.325,98,314,454.429,3.146,6,0.395,0.68,1.0,0.27936741827153727,0.3378623809197451,0.20153690631211021,0.21012096497841135,0.25722191762045093
EOS-3-16300,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Nc4cc(C(F)(F)F)c(F)cc4F)n23)nc1,JHWLZSHYXNEXBR-UHFFFAOYSA-N,3,1,0.327,66,505,475.381,4.119,5,0.422,0.77,1.0,0.12905215543828388,0.26781063669385236,0.9122489891028717,0.8725841272016996,0.5454239771091769
EOS-3-16301,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)cn2)n1,FZIWHZVJWZTYEM-UHFFFAOYSA-N,3,1,0.293,70,968,438.48,3.167,6,0.412,0.68,1.0,0.09256562264409568,0.1192258926735659,0.0891816873415119,0.11327187992598177,0.10356127064628881
EOS-3-16302,Cn1nc(-c2cccs2)nc1-c1cncc2nnc(-c3ncncc3-c3ccccc3)n12,STZCAWUZCHVPKK-UHFFFAOYSA-N,3,1,0.273,94,342,437.492,3.772,6,0.414,0.7,0.676,0.06308683434994175,0.0632324720718251,0.05300356384072374,0.10620416695223082,0.07138175930368036
EOS-3-16303,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)nn2)n1,UQXDJSLCFGMDGG-UHFFFAOYSA-N,3,1,0.314,70,14,451.429,2.64,6,0.372,0.69,0.631,0.10493626207936399,0.2166318278390789,0.24416592419984923,0.2662600233020355,0.2079985093550819
EOS-3-16304,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nc2)cn1,FJDKTFLTJDHFNC-UHFFFAOYSA-N,3,1,0.3,94,165,420.396,2.755,6,0.419,0.75,1.0,0.18685319717634158,0.12965184017545062,0.22611541361113016,0.23349153587828114,0.19402799671030085
EOS-3-16305,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)cc(F)n2)cn1,JVWYXPBDIHKFES-UHFFFAOYSA-N,3,1,0.406,46,348,442.389,3.372,5,0.381,0.69,1.0,0.8621496127749982,0.7498115276540334,0.7946336782948393,0.7585412240422178,0.7912840106915222
EOS-3-16306,c1cc(-c2ncncc2-c2nnc3cncc(-c4ccnc(-c5cnccn5)n4)n23)ccn1,FFHRDFKTFQYYMC-UHFFFAOYSA-N,3,1,0.291,86,513,431.423,2.557,6,0.41,0.66,0.912,0.08301350147351107,0.06693338359262559,0.12311527654033308,0.14223665273113564,0.10382470358440135
EOS-3-16307,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)CC1,MMQPEULJMCPCPZ-UHFFFAOYSA-N,3,1,0.288,52,523,436.479,3.321,6,0.453,0.65,0.713,0.031003700911520802,0.02357617709546981,0.06862963470632581,0.12888081694195053,0.06302258241381674
EOS-3-16308,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)n2)o1,KWWVCVVUFPZUAM-UHFFFAOYSA-N,3,1,0.4,74,423,416.376,2.45,5,0.471,0.71,0.999,0.1812589952710575,0.19755328627235968,0.18130182989514085,0.16043280104173807,0.18013672812007403
EOS-3-16309,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ncn2)nc1,XRINBBYTHLCTNT-UHFFFAOYSA-N,3,1,0.378,58,481,449.837,2.847,5,0.385,0.66,0.68,0.617392570762799,0.5880936878897951,0.2619508601192516,0.34288259886231237,0.45257992940853947
EOS-3-16310,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)nn1,LIWIHAUQCJPYFL-UHFFFAOYSA-N,3,1,0.489,27,69,434.41,3.498,5,0.404,0.72,1.0,0.46172297991912825,0.44567712973750945,0.7088016585566445,0.5978000137070797,0.5535004454800905
EOS-3-16311,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nccn5C)ns4)n23)cc1F,ZJBSOTLIHDZHQC-UHFFFAOYSA-N,3,1,0.463,16,788,464.486,2.726,5,0.411,0.69,0.999,0.5139041189774518,0.40968747858268795,0.16521314508943868,0.11074463710506477,0.29988734493866076
EOS-3-16312,c1ncc(-c2ccc(Cc3cncc4nnc(-c5ccc(-c6cncnn6)nc5)n34)cn2)nn1,GMWACABTHQJIHO-UHFFFAOYSA-N,3,1,0.323,99,377,446.438,1.876,6,0.382,0.65,0.999,0.14257076279898567,0.10013021725721336,0.13763621410458501,0.14001781920361867,0.13008875334110068
EOS-3-16313,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cc2)cc1,RQFWTQUKBXMCNC-UHFFFAOYSA-N,3,1,0.368,93,651,428.459,4.372,6,0.411,0.76,1.0,0.16466486190117197,0.11304057295593174,0.604961962853814,0.6453550133644027,0.3820056027688301
EOS-3-16314,Cc1nc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nn2)nn1C,HEWYDTVYRUKPRI-UHFFFAOYSA-N,3,1,0.471,36,706,437.826,3.27,5,0.421,0.7,0.999,0.597534439037763,0.7671338496333356,0.21905626756219587,0.28663217051607154,0.4675891816873415
EOS-3-16315,Cn1cncc1-c1ccc(-c2nnc3cncc(OC4Cc5ccccc5C4)n23)c(F)c1,FWKVUOMIAAMOFE-UHFFFAOYSA-N,3,1,0.494,91,440,426.455,3.877,6,0.436,0.72,1.0,0.7577016654101844,0.726869302994997,0.8135237475155918,0.7967582756493728,0.7737132478925365
EOS-3-16316,COc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)cn1,MMIAOGRDMQLEKL-UHFFFAOYSA-N,3,1,0.31,30,945,458.485,4.381,6,0.375,0.79,1.0,0.3009389349599068,0.2022822287711603,0.4497292851757933,0.39716263450071965,0.33752827085189496
EOS-3-16317,Cc1cc(Cl)nc(-c2nnc3cncc(-c4cccnc4-c4ncc(Cl)cn4)n23)n1,JFGVJTWDFJWUPX-UHFFFAOYSA-N,3,1,0.264,50,261,436.266,3.716,5,0.394,0.69,1.0,0.1840518127612912,0.24236686998834897,0.14970701117126997,0.29270612021108905,0.21720795353299982
EOS-3-16318,Cc1cnc(-c2ncnc(-c3cncc4nnc(-c5ccc(Oc6ncccn6)cc5)n34)n2)cn1,NTQZOGLXSUSSAZ-UHFFFAOYSA-N,3,1,0.314,86,136,461.449,2.991,6,0.374,0.7,1.0,0.30094750188472347,0.18014529504489069,0.08919025426632855,0.0630439997258584,0.15833176273045027
EOS-3-16319,Cn1c(-c2cc(Cl)ncn2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,KMDZWYIISNTELT-UHFFFAOYSA-N,3,1,0.321,8,608,467.884,3.154,6,0.359,0.76,1.0,0.12332088273593311,0.19289287917209239,0.09589815639777945,0.17086731546843945,0.1457448084435611
EOS-3-16320,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnnn6C)nc5)n34)cn2)nn1,VLIMHUBIUMPEKC-UHFFFAOYSA-N,3,1,0.302,99,14,448.454,2.204,6,0.394,0.65,1.0,0.05954869440065794,0.05924885203207457,0.04752073195805634,0.05156432047152354,0.05447064971557809
EOS-3-16321,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc6ccccc6c5)s4)n23)cn1,GSGDERDJROTNIA-UHFFFAOYSA-N,3,1,0.302,32,945,463.526,4.49,6,0.414,0.77,0.959,0.14806216160646973,0.1672606401206223,0.3390189157699952,0.32694811870331025,0.24532245905009936
EOS-3-16322,OCc1cc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)ccc1Cl,YWENJGPRGZZBPU-UHFFFAOYSA-N,3,1,0.523,24,912,445.87,3.368,5,0.423,0.69,1.0,0.651874443149887,0.8165221712014256,0.5985025015420464,0.5949643615927627,0.6654658693715305
EOS-3-16323,Cn1cc(-c2nc(Cl)n(C)n2)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,FXCVYCKBMUDYJJ-UHFFFAOYSA-N,3,1,0.35,74,295,474.916,2.533,6,0.415,0.73,1.0,0.14807072853128642,0.22193475430059625,0.017579329723802346,0.03210026728805428,0.10492126996093482
EOS-3-16324,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5nccnn5)c4)n23)cc1Cl,HXMGKBISLKCFPW-UHFFFAOYSA-N,3,1,0.58,16,391,451.277,3.924,5,0.396,0.7,1.0,0.8552361044479474,0.930111027345624,0.6436416284010692,0.7217462819546295,0.7876837605373175
EOS-3-16325,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccc(CO)n5)n34)c2)o1,LTKJLXGLACHIDD-UHFFFAOYSA-N,3,1,0.5,15,655,428.452,3.264,5,0.42,0.7,1.0,0.49640189157699954,0.3036546501267905,0.3464635734356795,0.24503118360633266,0.3478878246864505
EOS-3-16326,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)nc5)n34)cc2)nn1,GPJBKPSVOSLBBM-UHFFFAOYSA-N,3,1,0.323,42,725,436.504,4.377,6,0.408,0.76,1.0,0.06481735316290864,0.08118017956274416,0.44973785210060996,0.44803303406209305,0.26094210472208895
EOS-3-16327,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nn4)n23)cn1,NPJVCHVFKLABNE-UHFFFAOYSA-N,3,1,0.321,99,812,435.455,2.444,6,0.414,0.63,0.649,0.08101740799122747,0.05151291892262354,0.06863820163114248,0.061596189431841544,0.06569117949420876
EOS-3-16328,Cn1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)n1,ACLGUIJDLOHRNI-UHFFFAOYSA-N,3,1,0.319,98,882,435.455,2.444,6,0.414,0.63,1.0,0.09732026591734631,0.0515214858474402,0.16522171201425537,0.14466109245425263,0.11468113905832363
EOS-3-16329,CCn1c(-c2cncc(C)n2)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,RXSQWNDHURZRKQ-UHFFFAOYSA-N,3,1,0.307,8,882,464.497,2.631,6,0.378,0.71,1.0,0.043451442670139125,0.02358474402028648,0.012379206360084985,0.01239634020971832,0.022952933315057225
EOS-3-16330,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)c1,MFCOGRNYYMMQHX-UHFFFAOYSA-N,3,1,0.325,39,449,448.425,3.301,6,0.4,0.65,1.0,0.21449009663491192,0.28838839010348843,0.3318141319991776,0.4131056815845384,0.3119495750805291
EOS-3-16331,Fc1ccccc1-c1ncnc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)n1,MMHJNUYAIWVBNA-UHFFFAOYSA-N,3,1,0.354,64,136,448.425,3.301,6,0.4,0.65,0.77,0.24461997121513263,0.30366321705160715,0.18784696045507504,0.2808066616407374,0.25423420259063806
EOS-3-16332,CC(O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)n4C)n23)cn1,AUWHMGLAQBFDQO-UHFFFAOYSA-N,3,1,0.405,50,311,433.863,2.751,5,0.429,0.65,0.641,0.1344236172983346,0.3190408470975259,0.22251730518812968,0.25412925776163386,0.23252775683640603
EOS-3-16333,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4c(F)cccc4Cl)n23)nc1,QZRISIKDZBYZMO-UHFFFAOYSA-N,3,1,0.346,22,844,434.866,4.233,5,0.42,0.75,1.0,0.22270577753409637,0.36206394352683163,0.24766122952504968,0.3914056610239188,0.3059591529024741
EOS-3-16334,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccon5)cn4)n23)nn1)N1CC(F)(F)C1,RHMZQJGKSXENCX-UHFFFAOYSA-N,3,1,0.307,52,821,461.392,2.389,6,0.396,0.68,0.975,0.1618806113357549,0.18858371598930848,0.054956822698924,0.13107394969501748,0.13412377492975122
EOS-3-16335,N#Cc1cccc(-c2ccc(F)c(-c3nnc4cncc(COc5ccncc5)n34)c2)n1,VQAXGSSQTZCELA-UHFFFAOYSA-N,3,1,0.369,14,189,423.411,3.838,5,0.423,0.76,1.0,0.6062127338770475,0.6643393187581386,0.8093773559043246,0.7784507573161538,0.7145950414639161
EOS-3-16336,OCc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)cn5)c4)n23)nn1,KANUCHQRJFTEAT-UHFFFAOYSA-N,3,1,0.446,2,422,430.403,2.249,5,0.432,0.69,0.999,0.5552223973682407,0.512533411006785,0.3953550133644027,0.362543691316565,0.45641362826399834
EOS-3-16337,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)c(F)c2)n1,DXRWVPDBIUCIEC-UHFFFAOYSA-N,3,1,0.322,98,581,469.419,2.779,6,0.383,0.68,1.0,0.14512370639435268,0.26260194640531836,0.2728479884860531,0.4065348502501542,0.2717771228839696
EOS-3-16338,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)nc(C)n1,PZBALXXLKQGLQQ-UHFFFAOYSA-N,3,1,0.478,75,758,428.431,3.373,5,0.393,0.73,1.0,0.5397076965252553,0.5495510931396066,0.36903742032759923,0.28977623192378865,0.43701811047906247
EOS-3-16339,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)cn1,AQOROHJNIQBPFO-UHFFFAOYSA-N,3,1,0.326,50,243,421.371,2.645,5,0.426,0.74,0.991,0.35491912822973065,0.3766020149407169,0.477666027002947,0.42265780275512305,0.4079612432321294
EOS-3-16340,Cc1c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)ccnc1-c1ccccc1,XPVVFKMOHAFZFK-UHFFFAOYSA-N,3,1,0.345,62,302,464.504,4.86,6,0.402,0.85,0.995,0.20638578575834418,0.22726338153656364,0.43917483380165856,0.5271400178192036,0.3499910047289425
EOS-3-16341,COc1cc(-c2nnc3cncc(OCCc4ccnc(C)n4)n23)ccc1-c1cncn1C,HWIOTGVFFCBCFV-UHFFFAOYSA-N,3,1,0.489,15,771,442.483,2.92,5,0.379,0.69,1.0,0.4617315468439449,0.15183160852580357,0.22984202590638064,0.11328044685079844,0.2391714070317319
EOS-3-16342,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)c5)no4)n23)nc1,HGZFGKKYRQYDOJ-UHFFFAOYSA-N,3,1,0.366,70,179,455.869,3.957,6,0.392,0.76,1.0,0.11812932629703242,0.26781920361866907,0.2915410184360222,0.3752398738948667,0.2631823555616476
EOS-3-16343,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(Cl)c5)cc4F)n23)cc1F,RFNOMFURENAUHI-UHFFFAOYSA-N,3,1,0.357,96,648,462.847,4.551,5,0.422,0.75,1.0,0.3411777808237955,0.4096960455075046,0.9261788088547734,0.9384980467411418,0.6538876704818039
EOS-3-16344,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nc1,STAKDQRZZISKRQ-UHFFFAOYSA-N,3,1,0.58,4,391,435.85,3.958,5,0.415,0.7,1.0,0.5975430059625797,0.7963384963333562,0.7864950997190049,0.7687701322733191,0.7372866835720651
EOS-3-16345,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)n1,ZCQLEPBEDNUSKO-UHFFFAOYSA-N,3,1,0.578,4,712,435.85,3.958,5,0.415,0.7,1.0,0.5320402988143376,0.659507573161538,0.7521674319786169,0.7559026111986841,0.6749044787882941
EOS-3-16346,Cc1ncc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)nc(C)n4)n23)cn1,NBEMNRLDORHNPC-UHFFFAOYSA-N,3,1,0.449,46,531,446.421,3.512,5,0.404,0.66,0.999,0.7157837022822288,0.5881022548146118,0.5396562949763553,0.47584983894181343,0.5798480227537524
EOS-3-16347,Cc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,JRYXHXGTHDFGHJ-UHFFFAOYSA-N,3,1,0.298,42,42,447.506,3.963,6,0.406,0.71,1.0,0.14807929545610307,0.06694195051744226,0.3133095743951751,0.2541378246864506,0.19561716126379275
EOS-3-16348,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)cc1,HIXANSOXYCVFHK-UHFFFAOYSA-N,3,1,0.319,9,98,432.491,4.259,6,0.416,0.74,1.0,0.10494482900418066,0.03715475292988829,0.6284610376259337,0.5668734151189089,0.33435850866972794
EOS-3-16349,Cc1occc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,ITGGKGCZVWXGIY-UHFFFAOYSA-N,3,1,0.373,62,341,453.477,5.058,6,0.402,0.88,1.0,0.3009560688095401,0.3036717839764238,0.6312538551161675,0.6481135631553697,0.47099881776437524
EOS-3-16350,Cc1ncc(-c2nc(C)sc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,AGZMTYRNFIKDJN-UHFFFAOYSA-N,3,1,0.311,52,582,468.546,3.881,6,0.417,0.77,1.0,0.05607052292509081,0.07054005894044274,0.04416249742992256,0.050287848673840035,0.05526523199232403
EOS-3-16351,Cc1nc(-c2ccc(F)c(C)c2)cc(-c2nnc3cncc(NCCC(F)(F)F)n23)n1,QRAYUCNHMNUNLY-UHFFFAOYSA-N,3,1,0.347,68,542,431.397,4.369,4,0.473,0.74,0.987,0.03217736961140429,0.03716331985470495,0.8574292372010143,0.7637156466314852,0.4226213933246522
EOS-3-16352,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)n2)cc1,NJNPMYYYXZCLJK-UHFFFAOYSA-N,3,1,0.284,10,952,423.465,3.558,6,0.427,0.74,0.999,0.001482077993283531,0.01602871633198547,0.11752964155986567,0.19819580563360975,0.0833090603796861
EOS-3-16353,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)cc(F)n1,ZVZVXMDVXRNLGV-UHFFFAOYSA-N,3,1,0.385,33,760,445.418,1.799,5,0.39,0.65,0.995,0.44560002741415944,0.2272719484613803,0.22612398053594682,0.14002638612843535,0.25975558563498047
EOS-3-16354,c1cnc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cncnc6)c5)n34)cc2)nc1,XQDBIFCWTVSTAP-UHFFFAOYSA-N,3,1,0.301,42,106,429.447,3.767,6,0.417,0.7,1.0,0.112440888218765,0.12270406414913303,0.522796586937153,0.5040435885134672,0.31549628195462953
EOS-3-16355,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cn2)nc1,KSHSURKHEHZLKO-UHFFFAOYSA-N,3,1,0.638,84,56,446.873,4.662,5,0.377,0.82,1.0,0.9276437529984237,0.9680625042834624,0.8014358165992735,0.8322082105407443,0.8823375711054761
EOS-3-16356,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c1,LSTIHEABBXXZAW-UHFFFAOYSA-N,3,1,0.511,11,503,446.873,4.662,5,0.377,0.82,1.0,0.795156260708656,0.8126070865602083,0.8093859228291412,0.8580803234870811,0.8188073983962716
EOS-3-16357,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)c(F)c1,SIWIBVHAINXKEO-UHFFFAOYSA-N,3,1,0.362,3,615,467.443,3.989,6,0.387,0.76,1.0,0.2931687341511891,0.4234802275375231,0.6436501953258859,0.7027191419368104,0.5157545747378521
EOS-3-16358,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2)ccc1F,XTRUHRXEPVCJLV-UHFFFAOYSA-N,3,1,0.466,54,411,428.431,3.107,5,0.406,0.67,1.0,0.7370382427523816,0.6019806730176136,0.295053457610856,0.28081522856555413,0.47872190048660135
EOS-3-16359,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccnc(F)c5)nc4)n23)nc1)N1CC(F)C1,CUBPDWMTCJKDCL-UHFFFAOYSA-N,3,1,0.308,82,800,471.431,2.638,6,0.368,0.75,1.0,0.2687101637996025,0.22194332122541294,0.11753820848468234,0.20437255842642724,0.20314106298403126
EOS-3-16360,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(F)c1,DXBQQUHGGITLFK-UHFFFAOYSA-N,3,1,0.31,64,144,452.428,4.379,6,0.395,0.74,1.0,0.024030224110753205,0.14789082311013638,0.6687084504146391,0.7559111781235008,0.39913516893975737
EOS-3-16361,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cc(-c6ccccn6)ccc5F)n34)n2)cc1,YJIULNWLDFHTPB-UHFFFAOYSA-N,3,1,0.327,3,118,452.428,4.379,6,0.395,0.74,1.0,0.043460009594955794,0.22728051538619698,0.7012884654924268,0.7758292783222535,0.43696456719895826
EOS-3-16362,Cn1nnnc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cn1,UDHIFCDIHQZRTC-UHFFFAOYSA-N,3,1,0.329,98,635,469.419,2.779,6,0.383,0.69,1.0,0.23382564594613117,0.3036803509012405,0.26915564389006924,0.339772805153862,0.28660861147282574
EOS-3-16363,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cn4)n23)cn1,APIHHJJAHVQDAI-UHFFFAOYSA-N,3,1,0.298,70,812,432.451,3.106,6,0.418,0.65,0.991,0.15656911794942088,0.05536803509012405,0.2155095606880954,0.21012953190322803,0.15939406140771709
EOS-3-16364,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncn5)n34)cc2Cl)nc1,TUGIWHADJGNDRP-UHFFFAOYSA-N,3,1,0.523,37,325,444.886,3.622,5,0.391,0.67,1.0,0.8864539784798848,0.9057038585429374,0.35045576040024673,0.35561304913988073,0.6245566616407374
EOS-3-16365,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cnccn1,LFTGYCSEGYCDTR-UHFFFAOYSA-N,3,1,0.494,87,132,444.886,3.622,5,0.391,0.67,1.0,0.7400623672126654,0.8006904941402234,0.3542937427181139,0.37207867863751626,0.5667813206771297
EOS-3-16367,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4ccccn4)n23)c1,LEVKOSUVSCSWPY-UHFFFAOYSA-N,3,1,0.304,25,791,432.451,3.106,6,0.418,0.66,1.0,0.06665067507367556,0.04423959975327257,0.12853813994928381,0.18204715235419094,0.10536889178260572
EOS-3-16368,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nn2)nn1,PLYAYBKHEVDEBP-UHFFFAOYSA-N,3,1,0.393,53,411,436.798,2.2,5,0.404,0.61,0.857,0.5501764786512233,0.567927146871359,0.18467719827290796,0.24808957576588309,0.3877175998903434
EOS-3-16369,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)nc4)n23)cc1Cl,TWPLXBPPNKTNOC-UHFFFAOYSA-N,3,1,0.566,73,665,447.861,4.323,5,0.396,0.75,1.0,0.9050784730313207,0.869817010485916,0.7114831060242616,0.7052977863066274,0.7979190939620315
EOS-3-16370,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)cn4)n23)cn1,QYJLSLCBABYJHG-UHFFFAOYSA-N,3,1,0.387,82,837,412.388,2.548,5,0.481,0.78,1.0,0.1672863408950723,0.20229079569597697,0.32795044890686037,0.352563223905147,0.2625227023507642
EOS-3-16371,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2)ncn1,CBMUWZDZDMVWLZ-UHFFFAOYSA-N,3,1,0.436,18,773,444.886,3.622,5,0.391,0.69,0.999,0.7432149955451991,0.7177026934411623,0.4128743746144884,0.4003666643821534,0.5685396819957508
EOS-3-16372,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)n2)cn1,GYYLBVQVOJPMCW-UHFFFAOYSA-N,3,1,0.415,92,62,435.398,2.893,5,0.401,0.66,1.0,0.35737783565211434,0.3328421629771777,0.5017990542115003,0.40037523130697006,0.3980985710369406
EOS-3-16373,Clc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)nn1,ADFQIVLWFFLCKC-UHFFFAOYSA-N,3,1,0.365,38,608,464.88,3.816,6,0.383,0.7,1.0,0.20917003632376122,0.3429854019601124,0.23693543965458158,0.3083578918511411,0.27436219244739907
EOS-3-16374,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)cn4)n23)cc1,KUTJBKJTBLWSRK-UHFFFAOYSA-N,3,1,0.273,39,495,467.884,3.154,6,0.384,0.73,1.0,0.16729490781988898,0.2678277705434857,0.12312384346514975,0.2335001028030978,0.19793665615790557
EOS-3-16375,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nc2)c1,XFBUBXBDCDWVIC-UHFFFAOYSA-N,3,1,0.595,59,294,450.836,4.759,5,0.384,0.84,1.0,0.922452196559523,0.8886899458570352,0.9404170379000754,0.9494979782057432,0.9252642896305943
EOS-3-16376,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)c1,WZVISXGRLYRGLK-UHFFFAOYSA-N,3,1,0.524,59,817,432.846,4.62,5,0.403,0.78,1.0,0.8008961003358235,0.8832242478240011,0.9093876362141046,0.9213898978822562,0.8787244705640463
EOS-3-16377,COc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,PTANGHNCQIRIGF-UHFFFAOYSA-N,3,1,0.494,35,710,443.442,3.413,5,0.353,0.78,1.0,0.8089832773627579,0.6549585360838873,0.4534815982454938,0.35257179082996365,0.5674988006305257
EOS-3-16378,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(F)cn6)nc5)n34)cc2)nn1,TWXHXYKXHSIYCD-UHFFFAOYSA-N,3,1,0.329,38,725,450.441,3.245,6,0.402,0.66,1.0,0.11538791035569872,0.20229936262079365,0.40944760468782126,0.3971712014255363,0.2810765197724625
EOS-3-16379,Cn1cc(-c2cccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)c2)nn1,LRHVQXCXDLYHGY-UHFFFAOYSA-N,3,1,0.302,3,581,450.441,3.245,6,0.402,0.66,1.0,0.047786306627373036,0.15575526009183743,0.31721609211157564,0.4226663696799397,0.23585600712768146
EOS-3-16380,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,UJPGMPHIHOOFJY-UHFFFAOYSA-N,3,1,0.258,86,421,434.427,1.896,6,0.404,0.64,1.0,0.04203790007538894,0.028356521143170447,0.07741929956822699,0.09591529024741278,0.0609322527585498
EOS-3-16381,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)n1,NAABEXJOFVSKCH-UHFFFAOYSA-N,3,1,0.264,76,880,434.427,1.896,6,0.404,0.64,0.994,0.03912514563772188,0.008686861764101158,0.015977314783085464,0.032108834212870946,0.02397453909944486
EOS-3-16382,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccncn4)n23)c1,BELZMNQBZWRONA-UHFFFAOYSA-N,3,1,0.262,39,495,434.427,1.896,6,0.404,0.65,1.0,0.056079089849907476,0.021280241244602836,0.03690631211020492,0.055685011308340755,0.042487663628264
EOS-3-16384,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)ncn2)c1,OTLAAKFOSAPNAP-UHFFFAOYSA-N,3,1,0.563,44,308,449.396,3.682,5,0.391,0.72,0.997,0.884800561990268,0.7362072510451648,0.8497275717908299,0.8476286752107464,0.8295910150092523
EOS-3-16385,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)c2)n1,OEHFLYUHVHKXOU-UHFFFAOYSA-N,3,1,0.32,70,727,433.439,2.501,6,0.412,0.65,1.0,0.08302206839832774,0.07054862586525941,0.12854670687410047,0.1422452196559523,0.10609065519840999
EOS-3-16387,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,MKAMZRIMQJDKRQ-UHFFFAOYSA-N,3,1,0.301,42,693,437.398,3.499,6,0.408,0.67,1.0,0.31659927352477557,0.37661058186553353,0.4277979576451237,0.4354139538071414,0.38910544171064354
EOS-3-16388,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(C#N)cc5)cc4)n23)n1,JQCAICGYDWJMHP-UHFFFAOYSA-N,3,1,0.392,25,74,456.473,3.582,6,0.394,0.69,1.0,0.13190494140223424,0.21664039476389554,0.39150846412171886,0.47585840586663014,0.30397805153861973
EOS-3-16389,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)nc2)nn1,BTHMEJLPUAAFQO-UHFFFAOYSA-N,3,1,0.287,10,37,421.428,2.229,6,0.425,0.72,0.892,0.001302172572133507,0.004197793160167227,0.09847680076759646,0.1202624905763827,0.056059814269069974
EOS-3-16390,Fc1ccnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)c1,YLQRCECTZNVSJH-UHFFFAOYSA-N,3,1,0.291,86,812,438.39,2.024,6,0.433,0.62,0.783,0.2091786032485779,0.28839695702830515,0.12019395517784937,0.17366869988348982,0.19785955383455556
EOS-3-16391,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cn1,HEWKFGRAUTYVBT-UHFFFAOYSA-N,3,1,0.316,50,974,442.418,2.018,6,0.409,0.64,1.0,0.06665924199849223,0.1365739154273182,0.04593585086697279,0.09194023713247892,0.08527731135631554
EOS-3-16392,Cn1cc(-c2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)cn2)cn1,KCEFSWKAGNUTRM-UHFFFAOYSA-N,3,1,0.273,86,892,433.439,2.501,6,0.412,0.64,1.0,0.04943115619217326,0.03108937015968748,0.13146802823658418,0.1377475841272017,0.08743403467891166
EOS-3-16393,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccccc4F)n23)cc1,LRXOLCYDQFLORH-UHFFFAOYSA-N,3,1,0.364,9,642,438.426,4.048,6,0.409,0.71,1.0,0.2876087999451717,0.3525460900555137,0.4603437050236447,0.5105287505996847,0.4027568364060037
EOS-3-16394,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(F)cn6)cn5)n34)cc2)nn1,DOUZSFVTPIGAMM-UHFFFAOYSA-N,3,1,0.333,38,167,450.441,3.245,6,0.402,0.65,1.0,0.14808786238091975,0.24237543691316565,0.3805599342060174,0.3942156123637859,0.2913097114659722
EOS-3-16395,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cc(F)ccn5)cnn4)n23)cc1,RUXQCCKUQPEUMF-UHFFFAOYSA-N,3,1,0.318,98,63,450.441,3.245,6,0.402,0.65,1.0,0.21740285107257898,0.247524158727983,0.39901309026111986,0.43813823589884177,0.3255195839901309
EOS-3-16396,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)c1,DPVNQJFTNYYBET-UHFFFAOYSA-N,3,1,0.588,19,207,447.861,4.057,5,0.387,0.72,1.0,0.7312213008018642,0.7268778699198136,0.7296364197107806,0.8033291069837571,0.7477661743540539
EOS-3-16397,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)c1,SAGDHXDZNGXKOK-UHFFFAOYSA-N,3,1,0.5,44,130,447.861,4.057,5,0.387,0.72,0.995,0.8731409773147831,0.8518436022205469,0.6961397436776094,0.7585497909670345,0.7949185285449935
EOS-3-16398,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccc2F)s1,JQQPGQYRMOKDGX-UHFFFAOYSA-N,3,1,0.605,72,639,433.472,3.774,5,0.402,0.73,1.0,0.8009046672606401,0.8006990610650401,0.25131930642176686,0.2662685902268522,0.5297979062435748
EOS-3-16399,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cn1,UOBYQYMOSAPTEO-UHFFFAOYSA-N,3,1,0.333,61,917,412.417,1.403,5,0.469,0.81,1.0,0.12606229867726682,0.0970289904735796,0.04594441779178946,0.03015557535467069,0.07479782057432664
EOS-3-16400,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ncon4)nc3)n12,XCZUGFJIXYUEGH-UHFFFAOYSA-N,3,1,0.361,8,979,422.412,2.699,6,0.421,0.7,0.999,0.13722500171338498,0.10013878418203002,0.04118120759372216,0.057141388527174285,0.08392159550407786
EOS-3-16401,Cc1nc(COc2cncc3nnc(-c4ccc(-c5nnn(C)n5)cc4F)n23)ccc1F,WHMZDXAAYSKTKV-UHFFFAOYSA-N,3,1,0.506,36,404,435.398,2.542,5,0.414,0.66,1.0,0.48399698444246453,0.5589490096634911,0.33541224042217804,0.3146203138921253,0.42324463710506477
EOS-3-16402,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)n2)n1C,ONEQMYOQEZVYBL-UHFFFAOYSA-N,3,1,0.283,39,794,447.466,2.809,6,0.401,0.65,0.707,0.04498492221232266,0.014563772188335275,0.025006853539853335,0.032117401137687615,0.029168237269549722
EOS-3-16403,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)c5)ncn4)n23)cn1,XVHRSSQGMPUVIF-UHFFFAOYSA-N,3,1,0.473,4,354,430.859,3.579,5,0.39,0.73,1.0,0.5190100061681858,0.669333835926256,0.48830614762524843,0.44804160098690976,0.53117289767665
EOS-3-16404,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,XGBNSMWEMIVNRM-UHFFFAOYSA-N,3,1,0.465,51,19,432.875,3.697,5,0.403,0.7,1.0,0.6672092385717223,0.5538088547734905,0.33902748269481187,0.33012644781029404,0.4725430059625797
EOS-3-16405,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cn5)n4)n23)cc1,ZZFGLKAVESYHCC-UHFFFAOYSA-N,3,1,0.321,8,890,440.406,1.764,6,0.402,0.62,1.0,0.047794873552189705,0.18859228291412514,0.05496538962374066,0.09385922829141251,0.09630294359536701
EOS-3-16406,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ncn(-c6ccccc6)n5)n34)c2)cn1,SWUXZFHOCGXIGI-UHFFFAOYSA-N,3,1,0.427,77,807,449.478,3.352,6,0.384,0.71,1.0,0.22007573161537936,0.17138133095743951,0.27699438009732025,0.25705914604893426,0.23137764717976833
EOS-3-16407,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)nc1,QIEMMPXRFKIAOO-UHFFFAOYSA-N,3,1,0.351,32,301,465.908,4.364,6,0.381,0.8,0.996,0.12051093139606607,0.22728908231101363,0.4497464190254266,0.5538516893975739,0.3378495305325201
EOS-3-16408,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncc5C)n34)c2)nn1,NLOMTMPDDUBEFU-UHFFFAOYSA-N,3,1,0.462,16,55,444.886,3.888,5,0.376,0.73,1.0,0.5947844561716127,0.6068209855390309,0.4568569666232609,0.4162583099170722,0.5186801795627441
EOS-3-16409,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c2)nn1,ZIFKNHBIPJIPKK-UHFFFAOYSA-N,3,1,0.483,72,506,434.822,3.41,5,0.387,0.68,1.0,0.6371307655404016,0.6988126242204098,0.5888647111232952,0.610093550818998,0.6337254129257761
EOS-3-16410,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2)n1,NMQFKQYTNNFHNJ-UHFFFAOYSA-N,3,1,0.517,20,447,434.851,2.047,5,0.395,0.68,1.0,0.5296586937153039,0.5679357137961757,0.06864676855595915,0.09592385717222945,0.315541258309917
EOS-3-16411,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cc1,PWSQKOQASVEVOB-UHFFFAOYSA-N,3,1,0.333,3,158,418.424,2.891,6,0.429,0.74,1.0,0.03351380988280447,0.0407185936536221,0.11143855801521486,0.154812898362004,0.08512096497841135
EOS-3-16412,Cc1ccnc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)n1,QZGCIPWSKVVRAF-UHFFFAOYSA-N,3,1,0.275,86,812,434.427,2.194,6,0.437,0.63,0.978,0.11539647728051539,0.11590192584469879,0.0397333972997053,0.0342762661914879,0.07632701665410184
EOS-3-16413,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)cc2)cc1,DUGGPIRSILAVSH-UHFFFAOYSA-N,3,1,0.357,93,651,417.436,3.7,6,0.466,0.76,1.0,0.169950654513056,0.1713898978822562,0.3543023096429306,0.4480501679117264,0.2859232574874923
EOS-3-16414,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c2)nn1,VMFVFNXVWDWFOK-UHFFFAOYSA-N,3,1,0.467,4,506,431.847,2.974,5,0.387,0.67,1.0,0.5040178877390172,0.5881108217394284,0.28053252004660406,0.28386505380028787,0.41413157083133434
EOS-3-16415,Cn1cc(-c2ccc(F)c(-c3nnc4cncc(-c5cnc(-c6ccnnc6)cn5)n34)c2)cn1,WFZHKLIISCCLQF-UHFFFAOYSA-N,3,1,0.317,86,151,450.441,3.245,6,0.402,0.67,1.0,0.16995922143787265,0.27790247412788704,0.5466126379274896,0.5237817832910698,0.3795640291960798
EOS-3-16416,COc1cc(-c2nnc3cncc(OCc4cccnc4Cl)n23)ccc1-c1ncnn1C,NUOKBMWOEWUUHF-UHFFFAOYSA-N,3,1,0.478,16,718,448.874,3.223,5,0.364,0.73,1.0,0.5859605236104448,0.4944400657939826,0.38795319032280173,0.3176016037283257,0.4464888458638887
EOS-3-16417,CC(C)(O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nncc(F)n5)n4)n23)cc1,ALBSCXZRUXLJTL-UHFFFAOYSA-N,3,1,0.375,74,423,428.431,3.072,5,0.464,0.62,1.0,0.36650161058186553,0.4278750599684737,0.6342779795764513,0.5004540470152834,0.4822771742855185
EOS-3-16418,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncc(F)c5)ncn4)n23)cc1F,AWSZWGCYOVJBLC-UHFFFAOYSA-N,3,1,0.458,4,675,460.404,2.599,5,0.409,0.66,0.999,0.6033770817627304,0.36697279144678224,0.5856949489411281,0.5142553628949352,0.517575046261394
EOS-3-16419,CCn1c(-c2cnccn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,QOAZYBGCODNOOB-UHFFFAOYSA-N,3,1,0.301,8,934,446.478,3.589,6,0.395,0.69,0.827,0.04943972311698992,0.017579329723802346,0.049285518470289905,0.11075320402988144,0.0567644438352409
EOS-3-16420,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cn1,WWTFBNUZTHWVNH-UHFFFAOYSA-N,3,1,0.308,30,880,432.451,3.106,6,0.418,0.67,0.958,0.13443218422315126,0.044248166678089236,0.17162977177712288,0.21013809882804468,0.140112055376602
EOS-3-16421,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,MAVNTRIFJNJVMW-UHFFFAOYSA-N,3,1,0.513,36,19,419.836,2.609,5,0.427,0.71,1.0,0.6733174559660065,0.5445480090466726,0.17514221095195667,0.20438112535124392,0.3993472003289699
EOS-3-16422,Cc1ccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)nn1,AFXBOEKFVGRMPI-UHFFFAOYSA-N,3,1,0.275,98,890,447.466,2.809,6,0.401,0.64,1.0,0.07650263861284354,0.04072716057843876,0.08919882119114522,0.08626036597902817,0.07317224659036392
EOS-3-16423,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)nn1,AWTRBIAXRCNUJE-UHFFFAOYSA-N,3,1,0.516,87,579,433.863,2.652,5,0.402,0.68,1.0,0.5014221095195669,0.5881193886642451,0.18785552737989172,0.2188078267425125,0.37405121307655403
EOS-3-16424,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2C)cc1F,RZOWZWCWTJMGAE-UHFFFAOYSA-N,3,1,0.457,95,493,430.447,3.051,5,0.408,0.71,1.0,0.38262456308683435,0.2678363374683024,0.32444657665684323,0.27797957645123705,0.3132217634158042
EOS-3-16425,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccccc5)c4)n23)nn1,UNVNFTPBEDRQEZ-UHFFFAOYSA-N,3,1,0.551,79,650,428.883,4.523,5,0.395,0.78,1.0,0.8009132341854568,0.8611815502707149,0.5629326297032418,0.6625402645466384,0.7218919196765129
EOS-3-16426,c1ccc(-c2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)s2)cc1,HMVYYYFMWPKPIC-UHFFFAOYSA-N,3,1,0.291,30,541,435.476,3.829,6,0.411,0.73,0.897,0.04346857651977246,0.08779384552121171,0.09139195394421218,0.15769995202522102,0.09508858200260434
EOS-3-16427,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nc5)n34)cn2)nn1,QKERTVVOCRUDOO-UHFFFAOYSA-N,3,1,0.3,86,790,433.439,2.501,6,0.412,0.66,0.977,0.04347714344458913,0.03428483311630457,0.16209478445617162,0.1577085189500377,0.09939131999177575
EOS-3-16428,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1,WUJWZNWTMJYYCO-UHFFFAOYSA-N,3,1,0.298,98,746,423.404,1.224,6,0.437,0.65,1.0,0.10239188540881365,0.1034456171612638,0.027225687067370295,0.03532999794393804,0.06709829689534644
EOS-3-16429,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c1,QESLVCMJILAFGM-UHFFFAOYSA-N,3,1,0.563,35,884,430.418,4.148,5,0.403,0.76,1.0,0.8089918442875745,0.835078130354328,0.8604447947364814,0.867778082379549,0.8430732129394832
EOS-3-16430,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnnc5)n34)nc(C)n2)cn1,ITHKBYFPYNNSRQ-UHFFFAOYSA-N,3,1,0.427,31,531,425.456,2.672,5,0.405,0.69,1.0,0.49894626824754984,0.23199232403536427,0.13440648344870126,0.0919488040572956,0.23932346994722775
EOS-3-16431,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)cn1,KNFTWZMPFQLONC-UHFFFAOYSA-N,3,1,0.316,32,174,446.449,4.511,6,0.368,0.81,1.0,0.2528699198135837,0.3237098211226098,0.7296449866355973,0.7325491741484477,0.5096934754300596
EOS-3-16432,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4F)n23)c(F)c1,OLKOQZPUSLCMGC-UHFFFAOYSA-N,3,1,0.421,13,451,475.459,3.93,5,0.414,0.79,1.0,0.6944520594887259,0.5264032622849701,0.6312624220409842,0.4851021177438147,0.5843049653896237
EOS-3-16433,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cnccn6)n5)n34)cn2)nn1,PODJZJIQCSJKGO-UHFFFAOYSA-N,3,1,0.273,86,513,434.427,1.896,6,0.404,0.66,0.671,0.04059008978137208,0.03429340004112124,0.05497395654855733,0.054202933315057225,0.04601509492152697
EOS-3-16434,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)nc1,IDCRPWAJVMUXKL-UHFFFAOYSA-N,3,1,0.571,75,583,431.406,3.543,5,0.406,0.69,1.0,0.8731495442395998,0.7542577616338839,0.7012970324172435,0.6970906723322596,0.7564487526557466
EOS-3-16435,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)c1F,IJFICHJUBQGBGS-UHFFFAOYSA-N,3,1,0.511,19,692,431.406,3.543,5,0.406,0.69,1.0,0.6643650195325885,0.5725532862723597,0.729653553560414,0.7243763278733466,0.6727370468096772
EOS-3-16436,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cc5)n34)cn2)n1,BDWDHIXGKKFXDS-UHFFFAOYSA-N,3,1,0.314,42,327,433.435,3.669,6,0.41,0.69,1.0,0.18686176410115826,0.14411280926598588,0.24417449112466588,0.24503975053114935,0.20504720375573984
EOS-3-16437,Cc1nnc(-c2ncccc2-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)o1,IKPUYVOIHJAWQO-UHFFFAOYSA-N,3,1,0.298,30,515,433.435,3.669,6,0.41,0.69,0.993,0.0830306353231444,0.07055719279007608,0.11754677540949901,0.16044136796655473,0.10789399287231854
EOS-3-16438,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)s4)n23)nc1,NOWGAPIADLITIC-UHFFFAOYSA-N,3,1,0.271,76,272,443.521,3.834,6,0.408,0.7,1.0,0.09501576314166267,0.10677815091494756,0.06865533548077582,0.10845726817901447,0.09472662942910012
EOS-3-16439,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)n1,YDVMMUGHIBTFRV-UHFFFAOYSA-N,3,1,0.314,30,298,451.881,4.149,6,0.397,0.72,0.778,0.02403879103556987,0.16333698855458845,0.3279590158316771,0.5040521554382839,0.25484673771502986
EOS-3-16440,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cncnn5)n4)n23)cc1,GPEATCXFSJQAMK-UHFFFAOYSA-N,3,1,0.302,39,527,439.378,1.215,6,0.39,0.65,0.684,0.013767048180385169,0.10678671783976423,0.021931327530669592,0.06305256665067507,0.05138441505037352
EOS-3-16441,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1,LHEPNHFTHMJOGX-UHFFFAOYSA-N,3,1,0.301,70,723,445.49,4.019,6,0.404,0.69,1.0,0.07075423206085943,0.03430196696593791,0.40625214173120416,0.34612946336782946,0.21435945103145773
EOS-3-16442,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cc(C)no5)cn4)n23)c(F)c1,KXTLAQVXWQJXCE-UHFFFAOYSA-N,3,1,0.427,7,408,460.429,2.622,5,0.406,0.66,1.0,0.48148687547118085,0.48092145843328077,0.26553183469261876,0.15223425399218696,0.34504360564731684
EOS-3-16443,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncn6C)nc5)n34)cn2)n1,PDSNAQHNXJKHRK-UHFFFAOYSA-N,3,1,0.302,86,812,446.478,3.414,6,0.405,0.67,1.0,0.12607086560208347,0.0442567336029059,0.20865602083476115,0.1736772668083065,0.13816522171201426
EOS-3-16444,Cn1c(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1=O,MUMKZHZQWWAPMZ-UHFFFAOYSA-N,3,1,0.588,88,70,460.444,3.452,5,0.386,0.74,1.0,0.667217805496539,0.5445565759714893,0.7565622644095675,0.7508481255568501,0.6797961928586115
EOS-3-16445,Cn1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cn5)n34)n2)n1,UMJWFZAGMOMOBD-UHFFFAOYSA-N,3,1,0.26,76,652,434.467,3.049,6,0.42,0.64,0.98,0.04637276403262285,0.04073572750325543,0.14971557809608663,0.1268076211363169,0.09090792269207046
EOS-3-16446,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cn1,QDMMDUNSCRFRMC-UHFFFAOYSA-N,3,1,0.398,51,823,437.826,2.748,5,0.386,0.69,1.0,0.6256596532108835,0.5831334384209444,0.3207799328353094,0.3301350147351107,0.464927009800562
EOS-3-16447,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c1,VUNFWKANWSRCJF-UHFFFAOYSA-N,3,1,0.362,9,642,421.424,3.304,6,0.426,0.73,1.0,0.16996778836268933,0.06695051744225892,0.27700294702213696,0.2838736207251045,0.19944871838804745
EOS-3-16448,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)nc1,NIKJZEKPACBGRN-UHFFFAOYSA-N,3,1,0.266,98,880,433.439,2.501,6,0.412,0.63,0.826,0.07875573983962716,0.025932081420053456,0.07075423206085943,0.11076177095469811,0.07155095606880954
EOS-3-16449,Fc1ncccc1-n1cc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nn1,GDWCNGRWSJUUFL-UHFFFAOYSA-N,3,1,0.268,94,892,437.402,2.425,6,0.382,0.68,0.999,0.004197793160167227,0.08780241244602838,0.1589250222740045,0.22171201425536288,0.11815931053389075
EOS-3-16450,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nc1,PWSQCWMPYOFXQD-UHFFFAOYSA-N,3,1,0.443,18,181,454.881,3.79,5,0.38,0.69,1.0,0.6973990816256597,0.6741056130491399,0.6049705297786306,0.6306027688301008,0.6517694983208828
EOS-3-16451,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(C(F)F)c4)n23)s1,FFNIHMMOFMVXJX-UHFFFAOYSA-N,3,1,0.326,22,542,428.403,3.787,5,0.433,0.67,0.998,0.18406037968610786,0.3859228291412515,0.6436587622507025,0.6915564389006922,0.4762996024946885
EOS-3-16452,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)cc1,MVQMFEWQQAXRIL-UHFFFAOYSA-N,3,1,0.295,99,356,439.378,1.215,6,0.39,0.64,0.728,0.0025529435953670072,0.09398773216366253,0.021939894455486258,0.06478308546364198,0.045815913919539444
EOS-3-16453,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)cc4)n23)cc1,UGSQJSVRYLJWON-UHFFFAOYSA-N,3,1,0.387,83,472,439.906,5.138,5,0.421,0.85,1.0,0.27638612843533683,0.3766191487903502,0.8497361387156467,0.8494962648207799,0.5880594201905284
EOS-3-16454,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cc1=O,HSZGIGXHTRUMKV-UHFFFAOYSA-N,3,1,0.563,4,470,445.87,3.179,5,0.409,0.68,1.0,0.35042149270098005,0.39063463779041874,0.5162685902268521,0.5406843259543554,0.4495022616681516
EOS-3-16455,Cn1c(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nnc1-c1cnn(C(F)F)c1,YCZDFEIMBLUQTC-UHFFFAOYSA-N,3,1,0.385,66,784,450.413,1.868,5,0.417,0.64,1.0,0.10495339592899733,0.14049756699335206,0.13441505037351792,0.1062127338770475,0.1215196867932287
EOS-3-16456,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1,PNPJJZJYJVTVMR-UHFFFAOYSA-N,3,1,0.494,72,208,418.848,3.214,5,0.432,0.76,1.0,0.5889760811459118,0.5399390034953053,0.4391834007264752,0.43218422315125765,0.5000706771297375
EOS-3-16457,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)nn1,JSXNQZSHFCZPLT-UHFFFAOYSA-N,3,1,0.511,2,875,434.822,3.41,5,0.414,0.65,1.0,0.5064765951614009,0.6211620176821329,0.6078661503666644,0.6453635802892194,0.5952170858748544
EOS-3-16458,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nccc(-c4cncnc4)n3)n12,BQJFHWJCOLOTQX-UHFFFAOYSA-N,3,1,0.494,73,446,434.822,3.41,5,0.414,0.67,1.0,0.7752895620588034,0.9317815776848742,0.5765283393872935,0.62482009457885,0.7271048934274553
EOS-3-16459,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5cncc(F)c5)ccn4)n23)cc1F,CRVZGCCSHZUHLD-UHFFFAOYSA-N,3,1,0.444,59,160,441.401,3.977,5,0.407,0.74,1.0,0.7894249880063052,0.6595161400863546,0.9270954698101569,0.9137310670961551,0.8224419162497429
EOS-3-16460,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1,MZXXSUWVMYNKGT-UHFFFAOYSA-N,3,1,0.31,10,783,453.416,3.774,6,0.401,0.68,0.998,0.037497429922554996,0.20686553354807757,0.5985110684668631,0.7138561441984785,0.38918254403399355
EOS-3-16461,Fc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nn2)c1,GIERJRYTLXUXRM-UHFFFAOYSA-N,3,1,0.33,10,37,453.416,3.774,6,0.401,0.68,0.995,0.015291960797752038,0.11304913988074841,0.6049790967034473,0.679982523473374,0.35332568021383043
EOS-3-16462,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)s1,LCQSVQLUPOQDSH-UHFFFAOYSA-N,3,1,0.455,51,196,436.888,3.641,5,0.411,0.69,1.0,0.5296672606401206,0.5495596600644232,0.1344236172983346,0.16815160030155576,0.3454505345761086
EOS-3-16463,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5cccs5)n4)n23)c1,FDBRJPUYGLGOEE-UHFFFAOYSA-N,3,1,0.297,99,356,443.431,2.487,6,0.404,0.65,0.88,0.017973408265369063,0.1227126310739497,0.03300836131862107,0.10206634226578028,0.06894018573093003
EOS-3-16464,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)o1,VIFOJMQPYUOJAN-UHFFFAOYSA-N,3,1,0.307,76,746,421.424,3.304,6,0.426,0.75,1.0,0.06482592008772531,0.08458981563977795,0.14639161126721953,0.21014666575286134,0.12648850318689603
EOS-3-16465,Cc1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5ccc(C#N)cn5)c4)n23)cn1,FVBBBXKPGTVNPM-UHFFFAOYSA-N,3,1,0.523,55,879,438.426,3.542,5,0.383,0.76,1.0,0.8165821396751423,0.7963470632581728,0.734965046946748,0.645372147214036,0.7483165992735248
EOS-3-16466,Cn1nncc1-c1nc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)ccc1Cl,BLXHDWXZKHRHIX-UHFFFAOYSA-N,3,1,0.325,98,882,469.9,3.098,6,0.386,0.72,1.0,0.11540504420533206,0.26784490439311903,0.15566102391885409,0.21328216023576177,0.18804828318826672
EOS-3-16467,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nncn5C)ccc4Cl)n23)nc1,LUSNFUHVOPUWAN-UHFFFAOYSA-N,3,1,0.312,99,765,469.9,3.098,6,0.386,0.72,1.0,0.12906072236310054,0.33787094784456173,0.19815297100952642,0.2717685559591529,0.2342132992940854
EOS-3-16468,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cc4)n23)cc1,CMIXQKZRFRICCI-UHFFFAOYSA-N,3,1,0.34,62,302,437.528,5.079,6,0.416,0.85,1.0,0.1618891782605716,0.09703755739839627,0.42036186690425603,0.5040607223631005,0.29583733123158107
EOS-3-16469,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccn2)nn1,MQNBGLRLQOGOFX-UHFFFAOYSA-N,3,1,0.457,55,564,432.394,3.204,5,0.417,0.67,1.0,0.6944606264135426,0.5679442807209923,0.6169299568226989,0.560294016859708,0.6099072202042355
EOS-3-16470,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)nn1,QXUKULRSQIWBCM-UHFFFAOYSA-N,3,1,0.548,59,294,447.861,4.323,5,0.396,0.73,0.999,0.7035844013432938,0.6790658625179905,0.7612655061339182,0.7585583578918511,0.7256185319717634
EOS-3-16471,CCn1c(-c2ccnc(C(F)F)n2)nnc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,OWCGPBXDJWKWQP-UHFFFAOYSA-N,3,1,0.322,74,333,476.451,2.824,5,0.396,0.75,0.999,0.18406894661092454,0.1633455554794051,0.06649647042697553,0.04903707765060654,0.11573701254197793
EOS-3-16472,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cnc(F)c(F)c5)n4)n23)cc1,LTQQPFSWOYRFCK-UHFFFAOYSA-N,3,1,0.306,8,890,457.408,2.508,6,0.371,0.66,1.0,0.0262404907134535,0.19290144609690904,0.3059677198272908,0.33978137207867865,0.216222757179083
EOS-3-16473,Cn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,UKASMTQNWPXZNQ-UHFFFAOYSA-N,3,1,0.313,8,474,450.441,3.245,6,0.376,0.73,0.794,0.12906928928791722,0.2219518881502296,0.12855527379891715,0.2276231923788637,0.1767999109039819
EOS-3-16474,FC(F)(F)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,AJLXZWARGJKKBN-UHFFFAOYSA-N,3,1,0.472,82,478,419.37,4.329,5,0.433,0.8,1.0,0.33405009937632785,0.5125419779316017,0.9598896580083613,0.9105013364402714,0.6792457679391406
EOS-3-16475,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)nc1,UPCHPLLBAOGJQE-UHFFFAOYSA-N,3,1,0.543,16,214,431.406,3.809,5,0.391,0.72,1.0,0.8140206291549585,0.6447210609279693,0.7220289904735796,0.6711842916866562,0.7129887430607909
EOS-3-16476,COc1nc(COc2cncc3nnc(-c4cccc(-c5nnc(C)s5)c4)n23)ccc1F,VWUZQXODLVQTAB-UHFFFAOYSA-N,3,1,0.5,4,506,449.471,3.74,5,0.387,0.74,1.0,0.5577068055650743,0.6019892399424303,0.2513278733465835,0.17087588239325613,0.3954749503118361
EOS-3-16477,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)n1,IYFGOVBQYZKYDA-UHFFFAOYSA-N,3,1,0.325,98,42,423.4,2.094,6,0.414,0.71,1.0,0.16730347474470564,0.08118874648756083,0.06866390240559249,0.07580871770269344,0.0982412103351381
EOS-3-16478,NC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(-n5cccn5)n4)n23)s1,QKXBFTNPTCURHM-UHFFFAOYSA-N,3,1,0.398,31,954,432.469,2.154,5,0.417,0.69,0.978,0.21741141799739566,0.004643273250633953,0.03430196696593791,0.019738194777602632,0.06902371324789254
EOS-3-16479,CNC(=O)c1ccc(-c2nnc3cncc(COCc4nc(-c5ncccn5)ncc4F)n23)cc1,HDJMATGRVJOYAR-UHFFFAOYSA-N,3,1,0.459,85,357,471.456,2.254,5,0.379,0.71,1.0,0.44096532108834213,0.2987029675827565,0.12020252210266602,0.07942395997532725,0.23482369268727296
EOS-3-16480,Fc1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccccc5F)n34)o2)cc1,DIJVXZRVNCIYCQ-UHFFFAOYSA-N,3,1,0.392,10,298,442.389,3.972,6,0.407,0.74,0.998,0.0765112055376602,0.2884055239531218,0.5793725584264272,0.7053063532314441,0.41239891028716336
EOS-3-16481,Cn1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)c2)n1,JMZISEXOOAXVLZ-UHFFFAOYSA-N,3,1,0.566,36,391,454.281,3.263,5,0.398,0.7,1.0,0.5271400178192036,0.74982009457885,0.39536358028921936,0.5004626139401,0.5431965766568432
EOS-3-16482,Cc1ncc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c(-c2nccn2C)n1,FMMRUZIENMSVMR-UHFFFAOYSA-N,3,1,0.383,7,62,433.863,2.918,5,0.416,0.65,1.0,0.5245014049756699,0.47651805907751354,0.10366835720649716,0.1248115276540333,0.30737483722842845
EOS-3-16483,Cc1cnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nc(C)co6)cn5)n34)n2C)cn1,ZBMKSMPNEYZRCY-UHFFFAOYSA-N,3,1,0.267,99,754,451.454,2.711,6,0.393,0.68,0.61,0.04944829004180659,0.025940648344870126,0.01758789664861901,0.01290178877390172,0.026469655952299363
EOS-3-16484,COc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nn2C)cn1,FWBMBKFVPNQFFQ-UHFFFAOYSA-N,3,1,0.419,95,694,448.874,3.223,5,0.39,0.73,0.999,0.37567678706051677,0.3137464875608252,0.3769618257830169,0.3115362209581249,0.344480330340621
EOS-3-16485,Cc1ccnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)n1,JPRHJACXXADNKM-UHFFFAOYSA-N,3,1,0.452,51,69,447.409,3.258,5,0.386,0.69,1.0,0.7157922692070454,0.6839490096634911,0.40261976560893703,0.2897847988486053,0.5230364608320197
EOS-3-16486,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5Cl)o4)n23)cc1,XXLMXQXGBWYBQS-UHFFFAOYSA-N,3,1,0.368,3,641,455.869,3.957,6,0.392,0.75,1.0,0.20086868617641013,0.32831025974916045,0.2655404016174354,0.3752484408196834,0.29249194709067233
EOS-3-16487,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nc[nH]n5)ncn4)n23)cc1F,SQDWIXZYYZBFDP-UHFFFAOYSA-N,3,1,0.307,98,882,440.406,1.968,6,0.435,0.61,1.0,0.18126756219587417,0.2779110410527037,0.14640017819203618,0.16816016722637242,0.1934347371667466
EOS-3-16488,COCn1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,VSPODRWPAWTNMK-UHFFFAOYSA-N,3,1,0.366,22,844,420.824,2.159,5,0.42,0.74,0.731,0.26871873072441915,0.4765266260023302,0.06867246933040916,0.16044993489137138,0.2435919402371325
EOS-3-16489,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5nnco5)n4)n23)nc1,MVVGCYIMWHBEFA-UHFFFAOYSA-N,3,1,0.333,10,136,438.386,2.894,6,0.404,0.66,0.952,0.2144986635597286,0.3086577342197245,0.16845144267013912,0.25997190048660135,0.2378949352340484
EOS-3-16490,FC(F)Oc1cc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)ccn1,MCAGWTQQGBYQPO-UHFFFAOYSA-N,3,1,0.518,24,912,447.405,3.824,5,0.371,0.76,1.0,0.7220546912480296,0.6397436776094853,0.7844133369885546,0.6799910903981906,0.706550699061065
EOS-3-16491,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4F)n23)cn1,DEPAPNAHJKNWQD-UHFFFAOYSA-N,3,1,0.321,32,693,449.453,3.85,6,0.403,0.71,1.0,0.12907785621273388,0.262610513330135,0.5162771571516689,0.5406928928791721,0.3621646048934275
EOS-3-16492,N#Cc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ccc(F)nc4)ccn3)n12,NTIKKJOOCFFLLB-UHFFFAOYSA-N,3,1,0.479,11,159,437.438,3.881,5,0.372,0.77,1.0,0.8090004112123912,0.7625505448564184,0.7970409841683229,0.7734733739976698,0.7855163285587006
EOS-3-16493,N#Cc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)nc5)c4)n23)cc1,SHEPVTNKEAZHQT-UHFFFAOYSA-N,3,1,0.61,35,884,437.438,3.881,5,0.372,0.77,1.0,0.937898362003975,0.919565142896306,0.862029675827565,0.8342471386471112,0.8884350798437393
EOS-3-16494,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(Cl)c(F)c4)n23)cc1,LISJXRMJBHADOF-UHFFFAOYSA-N,3,1,0.565,48,646,409.852,3.729,4,0.545,0.87,1.0,0.44331265848810913,0.5081899801247344,0.7635614419847851,0.7353077239394147,0.6125929511342608
EOS-3-16495,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(C#N)ccn4)n23)nc1,SFEHISRQLFQMRX-UHFFFAOYSA-N,3,1,0.433,31,779,424.428,1.87,5,0.4,0.7,1.0,0.5449849222123226,0.3813138235898842,0.15273970255637037,0.14225378658076895,0.3053230587348365
EOS-3-16496,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(Cl)cn5)cn4)n23)cn1,SFZPVWNBLCWOMJ-UHFFFAOYSA-N,3,1,0.471,7,535,431.847,2.974,5,0.413,0.65,1.0,0.6174011376876156,0.717711260365979,0.18786409430470838,0.19295284764580906,0.428982335001028
EOS-3-16497,CCCn1ccnc1-c1cnc(Oc2cncc3nnc(-c4ccc(C(=O)O)cc4)n23)cn1,FZCKKRAPQMBBCW-UHFFFAOYSA-N,3,1,0.42,7,412,442.439,3.345,5,0.403,0.76,1.0,0.3009646357343568,0.008695428688917825,0.08920738811596189,0.039861901171955316,0.10968233842779795
EOS-3-16498,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncn6)cn5)n34)cc2)cn1,QTCLQLDTUBTCRN-UHFFFAOYSA-N,3,1,0.318,38,818,458.485,4.381,6,0.375,0.78,1.0,0.35960523610444795,0.2369868412034816,0.607874717291481,0.5004711808649167,0.4262344938660818
EOS-3-16499,CCn1cc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c(-c2ncc(Cl)cn2)n1,VKWVTJWRIQYOJG-UHFFFAOYSA-N,3,1,0.345,50,489,446.862,2.279,5,0.433,0.6,0.943,0.12332944966074978,0.22196045507504625,0.033016928243437736,0.03867109862243849,0.10424448290041806
EOS-3-16500,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)c(F)c4)n23)nn1,TURFETIJEMSWEA-UHFFFAOYSA-N,3,1,0.329,99,112,452.417,2.035,6,0.39,0.64,0.985,0.1840775135357412,0.2423840038379823,0.1090055513672812,0.17368583373312316,0.17728822561853197
EOS-3-16501,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)nc5)n34)nc2)no1,HNFZOZQAYHAQJE-UHFFFAOYSA-N,3,1,0.341,50,243,422.355,3.208,5,0.421,0.76,1.0,0.5552309642930574,0.4992289767664999,0.4848022753752313,0.4131142485093551,0.48809411623603594
EOS-3-16502,Cn1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)n2)cn1,OCVMETDFJXGTGP-UHFFFAOYSA-N,3,1,0.303,98,973,456.861,2.278,6,0.392,0.66,0.994,0.02295079158385306,0.11923445959838257,0.08433280789527792,0.14226235350558564,0.0921951031457748
EOS-3-16503,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5cnccc5-c5ccccc5)n34)n2)cc1,KGIGOYBSEIOLDG-UHFFFAOYSA-N,3,1,0.37,30,757,446.449,4.511,6,0.393,0.76,0.999,0.357386402576931,0.45881022548146116,0.5597028990473579,0.6510691522171201,0.5067421698307175
EOS-3-16504,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccccc5-c5ccccc5)n34)nc2)nn1,HIRSYIRHQBQTCA-UHFFFAOYSA-N,3,1,0.38,30,651,446.449,4.511,6,0.393,0.76,1.0,0.3009732026591735,0.34299396888492906,0.5195582893564527,0.6007641696936468,0.4410724076485505
EOS-3-16505,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)c2)n1,XOMFAOLMYTUUDN-UHFFFAOYSA-N,3,1,0.341,42,899,450.441,3.245,6,0.402,0.68,1.0,0.11813789322184909,0.23200089096018092,0.35431087656774723,0.4289544924953739,0.2833510383112878
EOS-3-16506,Cc1noc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)nn2)n1,URFZLUXCPDZHQO-UHFFFAOYSA-N,3,1,0.325,98,167,452.413,3.203,6,0.392,0.69,1.0,0.3434051812761291,0.36698135837159895,0.14640874511685287,0.20712254129257762,0.2659794565142896
EOS-3-16507,COc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(C)nc5)n34)c2)c(C)n1,FKNQGMLYLPRMLP-UHFFFAOYSA-N,3,1,0.529,55,879,440.467,3.243,5,0.392,0.7,1.0,0.4433212254129258,0.23699540812829828,0.23694400657939826,0.11560208347611542,0.25821568089918445
EOS-3-16508,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)nc4)n23)cc1F,HNHDKAMOBWGGCC-UHFFFAOYSA-N,3,1,0.568,73,391,418.367,2.896,5,0.429,0.73,1.0,0.8972825714481529,0.8806884380782675,0.5793811253512439,0.5828164622027278,0.735042149270098
EOS-3-16509,N#Cc1ccc(-c2nnc3cncc(COCc4ccc(-c5ccc(F)nc5)nc4)n23)cc1,XNGUFGJMYMMJEC-UHFFFAOYSA-N,3,1,0.479,14,319,437.438,3.976,5,0.37,0.75,1.0,0.5744894112809266,0.6068295524638476,0.860453361661298,0.8281903228017271,0.7174906620519499
EOS-3-16510,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)cn4)n23)nc1,SNGXEADQDFIJBF-UHFFFAOYSA-N,3,1,0.262,39,588,436.414,3.03,6,0.414,0.65,0.852,0.031012267836337468,0.0939962990884792,0.15566959084367077,0.2394369817010486,0.130028784867384
EOS-3-16511,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(Cl)c4)n23)cn1,NMYJNHSVPXIKIU-UHFFFAOYSA-N,3,1,0.495,90,646,410.84,3.124,4,0.546,0.8,1.0,0.4337348365430745,0.4411280926598588,0.5162857240764855,0.5237903502158865,0.47873475087382633
EOS-3-16512,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cn1,QGAUUOAMWMUVLE-UHFFFAOYSA-N,3,1,0.423,7,535,458.417,1.511,5,0.397,0.64,1.0,0.557715372489891,0.3952265094921527,0.06868103625522583,0.04113837296963882,0.2656903228017271
EOS-3-16513,Fc1ccc(F)c(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)c1,GCEZAZAFZKYSPZ-UHFFFAOYSA-N,3,1,0.295,39,144,453.416,3.774,6,0.401,0.69,0.668,0.019832430950585976,0.11591049276951546,0.41288294153930505,0.5505191556438901,0.2747862552258241
EOS-3-16514,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cn2)c1,LPBKDWSPRLUEPX-UHFFFAOYSA-N,3,1,0.311,10,871,453.416,3.774,6,0.401,0.69,0.28,0.04945685696662326,0.21172297991912822,0.5888732780481118,0.6682115687752724,0.37956617092728395
EOS-3-16515,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2F)n1,YMLZTGUNXAJLLL-UHFFFAOYSA-N,3,1,0.545,35,361,428.431,3.107,5,0.406,0.67,1.0,0.9489753957919266,0.9007950106229867,0.3953721472140361,0.34613803029264617,0.6478201459803988
EOS-3-16516,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cn5)n34)nc2)cn1,XQWMCGJFOSYPSN-UHFFFAOYSA-N,3,1,0.32,80,318,450.466,3.175,6,0.393,0.7,1.0,0.2687272976492358,0.15184017545062026,0.2548574463710506,0.16816873415118908,0.21089841340552395
EOS-3-16517,Cc1cc(COc2cncc3nnc(-c4cccc(-c5ncc(Cl)cn5)c4)n23)ncn1,OXKBKZPOOVYLJR-UHFFFAOYSA-N,3,1,0.524,4,921,430.859,3.579,5,0.416,0.65,1.0,0.5690665478719759,0.5831420053457611,0.3690459872524159,0.34943629634706325,0.467672709204304
EOS-3-16518,Cc1c(F)cc(F)c(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)c1F,XJCWNZMTQXFOSC-UHFFFAOYSA-N,3,1,0.571,68,255,439.319,4.51,4,0.438,0.74,1.0,0.9595212802412446,0.9521194571996436,0.9965903639229662,0.9892913439791653,0.9743806113357549
EOS-3-16520,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cn2)cc1,CZGHUUHKOGNABC-UHFFFAOYSA-N,3,1,0.319,30,93,428.459,4.372,6,0.411,0.77,1.0,0.11541361113014872,0.12631930642176684,0.5090809403056679,0.5407014598039888,0.32287882941539303
EOS-3-16522,Cc1cc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1cnnn1C,RIQTWKZXNSJHRI-UHFFFAOYSA-N,3,1,0.541,43,521,433.422,3.752,5,0.42,0.72,1.0,0.5115396477280515,0.539947570420122,0.794642245219656,0.7559197450483175,0.6505123021040368
EOS-3-16523,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)cc4F)n23)nc1,USLMDYQJDSMSEL-UHFFFAOYSA-N,3,1,0.317,98,219,455.482,3.911,6,0.397,0.7,1.0,0.23673840038379823,0.34780858063189635,0.3207884997601261,0.41312281543417173,0.3296145740524981
EOS-3-16524,c1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)cc2)nc1,SRILZXLSICAKPI-UHFFFAOYSA-N,3,1,0.293,8,927,419.412,2.286,6,0.423,0.72,1.0,0.02404735796038654,0.04426530052772257,0.0729987663628264,0.09998457953532999,0.060324001096566375
EOS-3-16525,Cc1ccc(-c2cn(C)nc2-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)nn1,QRLKJQQMQGMOOF-UHFFFAOYSA-N,3,1,0.278,50,542,419.399,3.29,5,0.441,0.72,0.922,0.09038105681584538,0.1557638270166541,0.47082962099924613,0.42896305942019053,0.28648439106298407
EOS-3-16526,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nc(C)ncc5C)nc4)n23)cn1,UINZWNCSRYDOHO-UHFFFAOYSA-N,3,1,0.566,55,879,424.468,3.543,5,0.422,0.74,1.0,0.5090124049071345,0.2779196079775204,0.22613254746076347,0.12888938386676718,0.28548848605304633
EOS-3-16528,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3cnc(Cl)cn3)n12,IDQJTUYWPILBMO-UHFFFAOYSA-N,3,1,0.523,97,401,433.834,4.015,5,0.413,0.73,1.0,0.766971078061819,0.8384791995065451,0.6906740456445755,0.7217548488794462,0.7544697930230965
EOS-3-16529,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cccc(-c5cccnc5)n4)n23)cc1,JBZLGTWHBKXGQO-UHFFFAOYSA-N,3,1,0.302,32,543,447.437,3.906,6,0.4,0.68,1.0,0.18987732163662532,0.28314543211568777,0.4062607086560208,0.5237989171407031,0.35077059488725926
EOS-3-16530,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,REEZESTVYDADNF-UHFFFAOYSA-N,3,1,0.34,42,339,447.437,3.906,6,0.4,0.68,1.0,0.33405866630114456,0.38593139606606813,0.6634654924268385,0.6799996573230074,0.5158638030292646
EOS-3-16531,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cc4F)n23)cc1F,HSSKYTBCWNWOLY-UHFFFAOYSA-N,3,1,0.343,62,341,468.467,4.691,6,0.405,0.82,1.0,0.2528784867384004,0.28841409087793846,0.732386402576931,0.809728599821808,0.5208518950037695
EOS-3-16532,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)c2)nn1,YQBHGWFVZONKBZ-UHFFFAOYSA-N,3,1,0.325,30,764,448.465,4.455,6,0.396,0.76,1.0,0.104961962853814,0.22196902199986293,0.6634740593516552,0.6886179836885752,0.4197557569734768
EOS-3-16533,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cncs5)ccn4)n23)cn1,ZRNVMIZRJOFUKC-UHFFFAOYSA-N,3,1,0.282,70,968,438.48,3.167,6,0.412,0.65,0.999,0.0707627989856761,0.0845983825645946,0.13443218422315126,0.14962990884791996,0.10985581865533547
EOS-3-16534,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(F)c1,WFHKTQHPZLIQCR-UHFFFAOYSA-N,3,1,0.472,36,610,437.826,2.748,5,0.413,0.64,1.0,0.49895483517236655,0.6068381193886643,0.36160989651154823,0.38810739496950175,0.4638775615105202
EOS-3-16535,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)cc2)n1,ULCJJTXCXVSXDK-UHFFFAOYSA-N,3,1,0.316,38,725,422.412,2.699,6,0.421,0.71,1.0,0.0997447056404633,0.07417243506270989,0.14641731204166952,0.15482146528682064,0.11878897950791584
EOS-3-16536,COc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5cnc(C)o5)c4)n23)c1,WDDOGBCNKJCZLY-UHFFFAOYSA-N,3,1,0.539,15,655,428.452,3.78,5,0.386,0.75,1.0,0.579997943938044,0.24753272565279968,0.3990216571859365,0.2423069015146323,0.36721480707285314
EOS-3-16537,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,GOCOSEHJHBPGTI-UHFFFAOYSA-N,3,1,0.457,18,181,432.394,2.938,5,0.403,0.66,1.0,0.6795798780069906,0.597457336714413,0.5664365019532589,0.5407100267288054,0.596045935850867
EOS-3-16538,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)nn1,UBNVQETYDAOBNV-UHFFFAOYSA-N,3,1,0.511,36,391,437.826,2.748,5,0.413,0.65,1.0,0.5245099719004866,0.745536632170516,0.4812898362003975,0.5271485847440203,0.5696212562538552
EOS-3-16539,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cc1F,HUZJHYSDMCVXMJ-UHFFFAOYSA-N,3,1,0.472,36,610,437.826,2.748,5,0.413,0.65,1.0,0.5090209718319512,0.644729627852786,0.3464721403604962,0.3881159618943184,0.4720846754848879
EOS-3-16540,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3ccc(-c4ccnn4C)nn3)n12,NXMYEDWBWRBLPG-UHFFFAOYSA-N,3,1,0.33,98,63,465.481,2.453,6,0.377,0.71,1.0,0.15377630045918717,0.03717188677952162,0.12021108902748269,0.08115447878829415,0.0980784387636214
EOS-3-16541,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC(F)F)cc4)n23)cc1,FVIHLQHHFNGFAR-UHFFFAOYSA-N,3,1,0.318,62,124,473.487,4.337,5,0.38,0.85,1.0,0.2958244808443561,0.18860084983894182,0.7193732437804126,0.5978085806318963,0.4504017887739017
EOS-3-16542,CCn1nccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nn1,AAXJBMHVJAOHST-UHFFFAOYSA-N,3,1,0.305,99,312,441.484,2.774,6,0.401,0.67,1.0,0.013775615105201837,0.031097937084504146,0.030506819272154068,0.03533856486875471,0.02767973408265369
EOS-3-16543,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(F)cn4)n23)cc1F,BJNKQTHGBWAEFZ-UHFFFAOYSA-N,3,1,0.384,63,306,407.384,2.342,5,0.545,0.87,1.0,0.2579843739291344,0.2729679254334864,0.22985059283119733,0.3333047769172778,0.273526917277774
EOS-3-16544,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)ncn5)ncc4Cl)n23)cc1,CYJFRVHDQYGTRN-UHFFFAOYSA-N,3,1,0.511,89,805,443.898,4.493,5,0.395,0.75,1.0,0.8643341786032486,0.7963556301829895,0.6467171544102529,0.5949729285175793,0.7255949729285176
EOS-3-16545,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)n5)c(F)c4)n23)c(-c2ccncc2)n1,UNLPFQBFMNPJMG-UHFFFAOYSA-N,3,1,0.301,42,693,463.48,4.158,6,0.387,0.76,0.994,0.21741998492221232,0.2626190802549517,0.512584812555685,0.4940288534027825,0.37166318278390786
EOS-3-16546,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1,CBVWAHDRXDAMPE-UHFFFAOYSA-N,3,1,0.409,6,318,447.462,3.836,6,0.392,0.72,1.0,0.4643101912137619,0.2678534713179357,0.29874580220683983,0.23944554862586526,0.3175887533411007
EOS-3-16547,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)nc2)c1,DRHVBMHRBFIAJK-UHFFFAOYSA-N,3,1,0.316,32,557,447.437,3.906,6,0.4,0.69,1.0,0.2661400863546022,0.3328507299019944,0.39903022411075323,0.4381468028236584,0.359041960797752
EOS-3-16548,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5cncc(F)c5)ncn4)n23)c1,QMJJMODFFATPJE-UHFFFAOYSA-N,3,1,0.43,18,194,432.394,2.938,5,0.403,0.67,0.647,0.7341254883147146,0.577907614282777,0.5664450688780756,0.5796467000205606,0.614531217874032
EOS-3-16549,CC(=O)NC(C)c1cc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)ccc1Cl,MNHRZQIESRNBAC-UHFFFAOYSA-N,3,1,0.523,90,555,458.856,3.894,4,0.44,0.66,1.0,0.7639469536015352,0.6302343910629841,0.8963916112672196,0.8054708381879241,0.7740109485299157
EOS-3-16550,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cn1,NQEGJJBGLBEKPM-UHFFFAOYSA-N,3,1,0.494,36,772,438.373,2.978,5,0.389,0.68,1.0,0.6705075046261394,0.6790744294428072,0.7013055993420602,0.6770869028853402,0.6819936090740868
EOS-3-16552,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)o1,ANNXPPRLWMRQGI-UHFFFAOYSA-N,3,1,0.444,19,348,419.832,3.777,5,0.424,0.77,1.0,0.6612637927489549,0.639752244534302,0.38056850113083407,0.39717976835035296,0.519691076691111
EOS-3-16553,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)cn1,BUGYNNPOLUQEIE-UHFFFAOYSA-N,3,1,0.294,70,812,434.467,3.049,6,0.42,0.67,1.0,0.09732883284216298,0.05537660201494072,0.20154547323692687,0.16552155438283875,0.12994311561921734
EOS-3-16554,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)cn1,JJHGEOGZFOFNFH-UHFFFAOYSA-N,3,1,0.294,70,812,434.467,3.049,6,0.42,0.67,1.0,0.09733739976697965,0.05538516893975738,0.20155404016174355,0.1655301213076554,0.129951682544034
EOS-3-16555,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)nc1,RLFHMUPZXFGXGM-UHFFFAOYSA-N,3,1,0.4,20,279,434.851,2.047,5,0.395,0.69,0.876,0.4714464395860462,0.4456856966623261,0.056704475361524224,0.07756493729011034,0.2628503872250017
EOS-3-16556,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)ccn2)nc1,MZJZMLQSADUXNF-UHFFFAOYSA-N,3,1,0.489,58,583,432.394,2.938,5,0.403,0.65,1.0,0.7669796449866356,0.6936553354807758,0.4278065245699404,0.44805873483654307,0.5841250599684737
EOS-3-16557,Cc1cc(COCc2cncc3nnc(-c4cc(-c5ccc(C#N)cn5)ccn4)n23)ccn1,XFXIRXSJZQOMQT-UHFFFAOYSA-N,3,1,0.386,85,181,434.463,3.54,5,0.399,0.73,1.0,0.22271434445891303,0.13304434240285107,0.5888818449729285,0.5105373175245014,0.3637944623397985
EOS-3-16558,OCc1c(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)ccc(Cl)c1F,VYYNUNLKBGDCLD-UHFFFAOYSA-N,3,1,0.5,68,900,454.771,3.464,4,0.461,0.64,1.0,0.9463881844972929,0.9511085600712769,0.965646631485162,0.9234887944623398,0.9466580426290179
EOS-3-16559,Cc1ncc(COc2cncc3nnc(-c4ccnc(-c5ccc(C#N)nc5)c4)n23)cn1,MQLZWCUQXFKBFN-UHFFFAOYSA-N,3,1,0.506,75,441,421.424,2.797,5,0.421,0.71,1.0,0.6228411349461997,0.5264118292097869,0.4314389006922075,0.3236841203481598,0.4760939962990885
EOS-3-16560,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nc4)n23)cc1Cl,MNBWHLLHVZAYDY-UHFFFAOYSA-N,3,1,0.59,73,401,450.289,4.529,5,0.389,0.77,1.0,0.9114351312452882,0.9521280241244603,0.7498029607292166,0.7990113768761565,0.8530943732437805
EOS-3-16561,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c(-c2ccccc2)n1,KKXDUMCYWZCNCT-UHFFFAOYSA-N,3,1,0.377,9,553,432.447,4.274,6,0.406,0.73,1.0,0.23109279692961415,0.11591905969433212,0.34259989034336236,0.3494448632718799,0.2597641525597971
EOS-3-16562,Cn1nc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cc1-c1cncc(Cl)n1,PGIPFXZAOQWQCQ-UHFFFAOYSA-N,3,1,0.533,89,731,461.873,2.313,5,0.406,0.68,1.0,0.3916369679939689,0.30368891782605717,0.18468576519772462,0.14466965937906928,0.256170327599205
EOS-3-16564,Cc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)n2)cn1,IFEHRNHQPACSJJ-UHFFFAOYSA-N,3,1,0.5,44,348,429.871,4.184,5,0.387,0.76,1.0,0.6033856486875471,0.5633095743951751,0.5765369063121102,0.5442738674525393,0.5718764992118429
EOS-3-16565,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cn1,MKNGUMVOGAILQP-UHFFFAOYSA-N,3,1,0.459,89,205,465.477,2.51,6,0.385,0.71,0.998,0.3166078404495922,0.14050613391816874,0.04265471866218902,0.05157288739634021,0.13783539510657256
EOS-3-16566,Cc1nc(-c2cc(-c3nnc4cncc(Cc5nnc6ncccn56)n34)ccc2F)no1,AUBYDAPWEFAXEH-UHFFFAOYSA-N,3,1,0.322,85,81,428.391,2.317,6,0.416,0.67,1.0,0.3411863477486122,0.3859399629908848,0.051127407305873486,0.09790281680487972,0.21903913371256256
EOS-3-16567,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)cc1,WLADVOKLDSSWAY-UHFFFAOYSA-N,3,1,0.447,97,160,446.417,3.598,5,0.426,0.71,1.0,0.7521674319786169,0.5354413679665547,0.8977280515386197,0.8661760674388321,0.7628782297306559
EOS-3-16568,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,JHDWFPDDDPZHHJ-UHFFFAOYSA-N,3,1,0.634,59,11,446.417,3.598,5,0.426,0.71,1.0,0.8771588650538003,0.7713059420190529,0.870433829072716,0.832216777465561,0.8377788534027826
EOS-3-16569,Cc1cc(-c2cccc(-c3nnc4cncc(COc5ccnc(Cl)n5)n34)c2)ncn1,ZQSGVJGEPPRQTR-UHFFFAOYSA-N,3,1,0.358,14,351,430.859,3.579,5,0.39,0.74,1.0,0.4766551298745802,0.49444863271879924,0.4094561716126379,0.3590312521417312,0.4348977965869371
EOS-3-16570,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccccn5)n4)n23)s1,LXJDTQYIOZORFH-UHFFFAOYSA-N,3,1,0.489,24,122,447.455,3.127,5,0.424,0.66,0.999,0.43374340346789114,0.19291001302172572,0.20522925090809402,0.1872472757179083,0.2547824857789048
EOS-3-16571,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5nccc(C)n5)cc4F)n23)n1,OGSTYSWDDSCGDD-UHFFFAOYSA-N,3,1,0.541,4,92,427.443,3.978,5,0.419,0.75,1.0,0.7432235624700158,0.7542663285587006,0.49830374888629975,0.3971883352751696,0.5982454937975464
EOS-3-16572,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)c2)cn1,MIMCWZGASCMEMH-UHFFFAOYSA-N,3,1,0.523,4,506,427.443,3.978,5,0.419,0.75,1.0,0.5859690905352615,0.544565142896306,0.5430059625796724,0.4381553697484751,0.5279238914399287
EOS-3-16573,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)c(F)c2)ccn1,IKCDCTGLKSJHQK-UHFFFAOYSA-N,3,1,0.547,15,460,443.486,3.964,5,0.395,0.76,1.0,0.45956411486532794,0.5264203961346036,0.4776745939277637,0.4065434171749709,0.46755063052566653
EOS-3-16574,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)[nH]n2)nc1,RRXLNVPZZSAJIY-UHFFFAOYSA-N,3,1,0.404,46,963,440.801,3.482,5,0.417,0.69,1.0,0.6643735864574053,0.49445719964361595,0.7498115276540334,0.7784593242409704,0.6717754094990063
EOS-3-16576,FC(F)(F)c1cnc(Cc2cncc3nnc(-c4cnc(-c5ccnnc5)cn4)n23)cn1,ZTCKLKOTOVGBPO-UHFFFAOYSA-N,3,1,0.295,85,362,436.361,2.438,5,0.418,0.6,1.0,0.3140805976286752,0.2831539990405044,0.6609211157562881,0.5142639298197519,0.44310491056130497
EOS-3-16577,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)cc1,QFRXTQAHUXBUPV-UHFFFAOYSA-N,3,1,0.316,39,144,470.859,3.684,6,0.383,0.79,0.997,0.036143855801521484,0.24754129257761634,0.28431053389075456,0.5040692892879172,0.26801624288945236
EOS-3-16578,CC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)cc1,CRWTULFYITXCTI-UHFFFAOYSA-N,3,1,0.579,68,900,414.347,3.382,4,0.462,0.78,1.0,0.9595298471660613,0.7963641971078061,0.8334504146391611,0.5538602563223906,0.7858011788088548
EOS-3-16579,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cs2)nc1,RFWMULHAIOPESR-UHFFFAOYSA-N,3,1,0.528,81,609,453.491,3.674,6,0.406,0.77,1.0,0.43375197039270785,0.432484065519841,0.17163833870193956,0.1548300322116373,0.2981761017065314
EOS-3-16580,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)nn1,PGZCCVAJEMYZKK-UHFFFAOYSA-N,3,1,0.286,99,14,436.443,1.839,6,0.406,0.65,0.98,0.07651977246247688,0.05153005277225687,0.04417106435473922,0.03867966554725516,0.05272513878418203
EOS-3-16581,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cn5)n34)nc2)nn1,UYDHWDURMFEXRB-UHFFFAOYSA-N,3,1,0.253,99,813,436.443,1.839,6,0.406,0.63,0.939,0.03471317935713796,0.014572339113151943,0.056713042286340894,0.050296415598656705,0.039073744088821874
EOS-3-16582,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)n5)n34)nc2)nn1,GCTNVYXYCQATGU-UHFFFAOYSA-N,3,1,0.26,99,259,436.443,1.839,6,0.406,0.63,0.81,0.016131519429785485,0.009312247275717908,0.03836268932903845,0.03868823247207182,0.025623672126653417
EOS-3-16583,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)n5C)n34)cn2)nn1,FGVYXHYHAPUAQM-UHFFFAOYSA-N,3,1,0.309,99,754,436.443,1.839,6,0.406,0.63,0.998,0.037505996847371666,0.0407442944280721,0.02392742101295319,0.030164142279487355,0.033085463641971076
EOS-3-16585,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)nc1,XNGHKUTWPFEMHS-UHFFFAOYSA-N,3,1,0.597,75,583,429.871,3.918,5,0.404,0.71,1.0,0.7922263724213556,0.7963727640326228,0.569734768007676,0.5887790418751285,0.6867782365841957
EOS-3-16586,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cccc(-c6cccnn6)c5)n34)cc2)CC1,BZJFADIJRDHBSN-UHFFFAOYSA-N,3,1,0.318,62,302,447.502,4.198,6,0.434,0.71,1.0,0.220084298540196,0.0669590843670756,0.22252587211294633,0.31154478788294154,0.2052785107257899
EOS-3-16589,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)s1,GKHDEMICSWYHCE-UHFFFAOYSA-N,3,1,0.338,9,598,451.519,4.081,6,0.398,0.72,1.0,0.0509903365088068,0.07056575971489275,0.17813206771297374,0.18470289904735795,0.12109776574600781
EOS-3-16590,Cc1nc(F)cc(COc2cncc3nnc(-c4ccnc(-c5cccc(Cl)c5)c4)n23)n1,RQXVCDNHCUDDOW-UHFFFAOYSA-N,3,1,0.534,4,183,447.861,4.323,5,0.37,0.8,1.0,0.6428791720923858,0.7409104927695155,0.6467257213350696,0.6711928586114728,0.6754270612021109
EOS-3-16591,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)ccn1,CMTZPYBABQGJPI-UHFFFAOYSA-N,3,1,0.304,32,957,447.437,3.906,6,0.375,0.74,0.911,0.17531354944829003,0.26262764717976833,0.5697433349324926,0.594981495442396,0.40066650675073673
EOS-3-16592,Fc1cc(-c2nnc3cncc(Cc4cnc(-c5cncs5)nn4)n23)ccc1Cl,BOVGTRPKPOIANC-UHFFFAOYSA-N,3,1,0.419,85,81,424.852,3.483,5,0.435,0.69,1.0,0.35739496950174765,0.5589575765883079,0.3504643273250634,0.5207062572818861,0.44688078267425124
EOS-3-16593,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3cnc(C)nc3)n12,OOSMLAKGNRGEBJ-UHFFFAOYSA-N,3,1,0.552,65,604,442.483,2.92,5,0.379,0.71,1.0,0.42018196148310605,0.09085223768076212,0.2015626070865602,0.09386779521622918,0.20161615036666442
EOS-3-16594,Cc1ncc(-c2nnc3cncc(OCc4cncc(-c5cnc(Cl)nn5)c4)n23)cn1,QXGHIZQINJTMCP-UHFFFAOYSA-N,3,1,0.44,51,48,432.835,2.369,5,0.408,0.63,1.0,0.6087828113220478,0.5125505448564184,0.19117949420875882,0.1762302104036735,0.3721857651977246
EOS-3-16595,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cc2)n1C,JVCJYIKTIUGRKB-UHFFFAOYSA-N,3,1,0.319,38,193,445.49,4.019,6,0.404,0.71,1.0,0.13723356863820163,0.0705743266397094,0.3879617572476184,0.33331334384209443,0.23227074909190595
EOS-3-16596,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,VFGZGOGJDVEJNO-UHFFFAOYSA-N,3,1,0.5,20,658,429.444,2.007,5,0.383,0.68,1.0,0.3665101775066822,0.1067952847645809,0.10098690973888014,0.057149955451990954,0.15786058186553353
EOS-3-16597,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)nc4)n23)cc1,QUZUMUASSPIDEG-UHFFFAOYSA-N,3,1,0.338,38,725,420.436,3.909,6,0.426,0.77,1.0,0.12908642313755053,0.06324103899664177,0.4166952230827222,0.4003837982317867,0.25235162086217533
EOS-3-16598,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5nnnn5C)c4)n23)cn1,BCRYNIPPIGKZTF-UHFFFAOYSA-N,3,1,0.261,99,112,438.419,0.629,6,0.38,0.65,0.929,0.06870673702967582,0.028365088067987116,0.00836988554588445,0.0072990199438009735,0.028185182646837087
EOS-3-16599,Cc1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1C,VLQYBZOAEXDEEU-UHFFFAOYSA-N,3,1,0.542,36,534,432.875,3.523,5,0.419,0.69,1.0,0.5744979782057432,0.7883284216297718,0.3843979165238846,0.38812452881913506,0.5338372112946337
EOS-3-16600,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCC6)nc5)n34)c(F)n2)cs1,JIGXXXMGJZTKFU-UHFFFAOYSA-N,3,1,0.37,52,169,472.509,3.665,6,0.368,0.83,0.981,0.10978514152559797,0.2219775889246796,0.006553697484750874,0.022111232951819614,0.090106915221712
EOS-3-16602,N#Cc1cccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)c1,DRVSRUMZNKEEKE-UHFFFAOYSA-N,3,1,0.333,30,220,453.469,4.244,6,0.389,0.75,1.0,0.18988588856144198,0.2678620382427524,0.5697519018573093,0.6306113357549175,0.41452779110410526
EOS-3-16603,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)cc1,VDURMHSUBONHBO-UHFFFAOYSA-N,3,1,0.346,32,515,436.41,4.104,6,0.406,0.71,0.999,0.3265112055376602,0.4278836268932904,0.5732215064080598,0.6161075320402988,0.48593096771982736
EOS-3-16604,Fc1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1,RQZSEXYPAFGKKX-UHFFFAOYSA-N,3,1,0.385,3,38,436.41,4.104,6,0.406,0.71,1.0,0.3340672332259612,0.4370845041463916,0.5888904118977452,0.6565862517990542,0.504157100267288
EOS-3-16605,Cc1cccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,BYAGMWLCRARVOZ-UHFFFAOYSA-N,3,1,0.479,89,398,477.528,4.028,6,0.377,0.87,0.999,0.41107532040298816,0.1296604071002673,0.1911880611335755,0.16817730107600576,0.2250252724282092
EOS-3-16606,Clc1ccc(-c2nnc3cncc(OCc4cnc(-n5cnc(Cl)n5)cn4)n23)cc1,PBIBHUFAPQBQFB-UHFFFAOYSA-N,3,1,0.549,36,212,440.254,3.048,5,0.41,0.65,1.0,0.44788739634020974,0.6643478856829552,0.32445514358165994,0.4415821396751422,0.46956814131999175
EOS-3-16607,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)cn5)cc4Cl)n23)cn1,RAAWBRDUOPZMES-UHFFFAOYSA-N,3,1,0.477,4,71,447.861,4.323,5,0.396,0.79,1.0,0.7839507230484545,0.8314885888561442,0.6988554588444932,0.702727708861627,0.7542556199026798
EOS-3-16608,Cn1ccnc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5nccn5C)o4)n23)cn1,PIMXEMFCJNSBAW-UHFFFAOYSA-N,3,1,0.278,86,812,424.428,2.642,6,0.424,0.67,1.0,0.04059865670618874,0.025949215269686795,0.058589198821191145,0.04762353505585635,0.043190151463230755
EOS-3-16609,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nc(F)ncc4-c4cccc(F)c4)n23)cc1,OHXIUPSAGBLHGZ-UHFFFAOYSA-N,3,1,0.322,25,219,468.431,3.384,6,0.362,0.77,1.0,0.18408608046055788,0.31375505448564184,0.38797032417243504,0.49403742032759923,0.3449622198615585
EOS-3-16610,Cn1ccnc1-c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccccn5)cc4)n23)cn1,NRLDNNDKYWRUSQ-UHFFFAOYSA-N,3,1,0.354,28,120,444.502,4.24,6,0.395,0.77,0.999,0.18687033102597492,0.08781097937084505,0.42430265231992326,0.4099102186279213,0.2772235453361661
EOS-3-16611,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5)cn4)n23)cc1Cl,KHCOHUJFWGYZTD-UHFFFAOYSA-N,3,1,0.544,73,969,450.289,4.529,5,0.389,0.79,1.0,0.8686176410115825,0.9456942635871428,0.7521759989034337,0.8119902679734082,0.8446195428688917
EOS-3-16612,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)ccc4Cl)n23)nc1,MKKZHEHDUAWGOY-UHFFFAOYSA-N,3,1,0.488,73,82,448.849,3.718,5,0.4,0.69,1.0,0.8369885545884449,0.8698255774107326,0.4353111507093414,0.4636419710780618,0.6514418134466452
EOS-3-16613,COc1cc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)no4)n23)ccc1Cl,YDOCTLVNHKNUNC-UHFFFAOYSA-N,3,1,0.361,96,155,440.25,4.219,5,0.383,0.81,1.0,0.6228497018710164,0.6397608114591187,0.5697604687821259,0.6481221300801864,0.6201232780481118
EOS-3-16614,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)nn1,GVUIPDSRABRXTO-UHFFFAOYSA-N,3,1,0.32,38,818,431.463,3.711,6,0.419,0.71,1.0,0.033522376807621136,0.05153861969707354,0.4497549859502433,0.4510657254471935,0.24647042697553287
EOS-3-16616,Cn1nccc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,BAGAHKFSWOYPQN-UHFFFAOYSA-N,3,1,0.489,72,482,432.875,3.257,5,0.406,0.67,1.0,0.55018504557604,0.5589661435131246,0.3059762867521075,0.33014358165992735,0.43631776437529984
EOS-3-16617,CC(C)(O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccncc5)s4)n23)nn1,ILMSARYUGZXJSZ-UHFFFAOYSA-N,3,1,0.292,85,60,429.509,3.523,5,0.456,0.66,0.993,0.11244945514358166,0.11924302652319924,0.3543194434925639,0.22172058118017957,0.20193312658488108
EOS-3-16618,N#Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ncon5)nc4)n23)ccc1Cl,RUTDJUJWXWVWID-UHFFFAOYSA-N,3,1,0.564,16,863,431.803,2.735,5,0.407,0.71,1.0,0.8509783428140635,0.8384877664313618,0.39538071413885273,0.43816393667329173,0.6307526900143924
EOS-3-16619,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)n2)nn1,DNZZAZRHECVRHR-UHFFFAOYSA-N,3,1,0.273,10,342,454.845,2.334,6,0.39,0.66,0.271,0.019840997875402645,0.14412137619080254,0.035587005688438075,0.11077033787951476,0.0775799294085395
EOS-3-16620,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)c1F,LIRQXBBIBDFLQY-UHFFFAOYSA-N,3,1,0.59,84,884,430.418,4.148,5,0.403,0.75,1.0,0.8245579466794599,0.8579946542389144,0.8758738263313001,0.8661846343636488,0.8561527654033309
EOS-3-16621,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c(Cl)c1,OFTKMHLZSVBYBZ-UHFFFAOYSA-N,3,1,0.329,9,642,466.896,3.759,6,0.386,0.74,1.0,0.2119714207388116,0.3137636214104585,0.46752278802001235,0.5407185936536221,0.38349410595572614
EOS-3-16622,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)nc1,XCQKTKTZTGSYLC-UHFFFAOYSA-N,3,1,0.257,86,249,438.39,1.82,6,0.4,0.63,1.0,0.0034267699266671238,0.06324960592145844,0.06059385922829141,0.09195737098211226,0.054806901514632314
EOS-3-16623,COC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(OC)c5)ns4)n23)nc1,JEOXZHXUXPTTHH-UHFFFAOYSA-N,3,1,0.314,74,776,445.464,3.167,5,0.376,0.76,0.999,0.14257932972380236,0.12272119799876637,0.10099547666369679,0.05158145432115688,0.10446936467685561
EOS-3-16624,Cc1cnc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)cc5)n34)c2)cn1,ZNKVJGXBYMMOIM-UHFFFAOYSA-N,3,1,0.423,14,18,428.883,4.789,5,0.4,0.83,1.0,0.4478959632650264,0.5354499348913714,0.7296621204852306,0.729704955109314,0.6106782434377356
EOS-3-16625,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)o2)nn1,JCMSQDRRBCXJQW-UHFFFAOYSA-N,3,1,0.561,34,32,423.795,3.608,5,0.422,0.7,1.0,0.891971078061819,0.9195737098211226,0.5261890891645535,0.5949900623672126,0.733180984853677
EOS-3-16626,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)c4)n23)c(F)c1,NKJQSQHBYKIXGD-UHFFFAOYSA-N,3,1,0.575,59,146,434.381,4.245,5,0.412,0.74,1.0,0.9489839627167432,0.9405883763964088,0.9561801795627441,0.9539613460352272,0.9499284661777808
EOS-3-16627,Cn1cc(Cc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c(C(F)(F)F)n1,NIBDQDJGTPVKIZ-UHFFFAOYSA-N,3,1,0.323,85,362,436.401,3.591,5,0.428,0.73,0.995,0.17262353505585634,0.22729764923583032,0.815425604824892,0.6915650058255088,0.4767279487355218
EOS-3-16628,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)c1,CKVBORAZQIHVPU-UHFFFAOYSA-N,3,1,0.273,64,27,464.468,3.553,6,0.389,0.7,0.999,0.18989445548625866,0.242392570762799,0.25486601329586733,0.3333219107669111,0.255118737577959
EOS-3-16629,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cn2)n1,AZCVRTJJKDCSSV-UHFFFAOYSA-N,3,1,0.312,25,219,464.468,3.553,6,0.389,0.7,0.975,0.18127612912069083,0.33285929682681104,0.3172246590363923,0.3397899390034953,0.29278750599684733
EOS-3-16630,Fc1cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)ccc1-c1ncccn1,SPVYKYLKUANGLJ-UHFFFAOYSA-N,3,1,0.536,73,795,448.849,3.452,5,0.389,0.66,1.0,0.94976355287506,0.9376927558083751,0.3805770680556507,0.44159070659995886,0.6774060208347611
EOS-3-16631,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)n1,DYKNSTRLPPOBMG-UHFFFAOYSA-N,3,1,0.542,36,404,422.84,1.948,5,0.422,0.71,1.0,0.46661469398944555,0.7131108217394284,0.05113597423069015,0.090004112123912,0.330216400520869
EOS-3-16632,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)o1,XHVDJVWOZJTXCI-UHFFFAOYSA-N,3,1,0.329,76,507,439.414,3.443,6,0.411,0.67,0.727,0.22009286546501267,0.3036974847508738,0.3095572613254746,0.37208724556233297,0.30135871427592353
EOS-3-16633,COc1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c(F)c1,GJJHYOXREQEKIG-UHFFFAOYSA-N,3,1,0.385,83,558,433.393,4.946,5,0.401,0.86,1.0,0.6944691933383592,0.8242838050853266,0.9609348228359947,0.9559917072167775,0.8589198821191145
EOS-3-16634,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cccs5)n34)c2)no1,GLUYBUJCCOXRRK-UHFFFAOYSA-N,3,1,0.622,87,796,422.445,3.972,5,0.409,0.82,1.0,0.77529812898362,0.6595247070111713,0.30236104447947365,0.30194126516345693,0.5097812864094304
EOS-3-16635,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1ccccn1,QSMFROBTGPKDSI-UHFFFAOYSA-N,3,1,0.528,11,490,448.408,4.287,5,0.386,0.76,1.0,0.9574909190596943,0.9392091015009252,0.8558700568843808,0.8614299910903982,0.9035000171338496
EOS-3-16636,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)nn2)cn1,ZWPXVUNOYYUUSI-UHFFFAOYSA-N,3,1,0.318,86,899,451.429,2.64,6,0.372,0.68,1.0,0.08767390857377835,0.21664896168871223,0.2583013501473511,0.2808237954903708,0.21086200397505311
EOS-3-16637,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccc(F)nc4)n23)cc1,BVPYBLQHQVOWPT-UHFFFAOYSA-N,3,1,0.333,98,882,451.429,2.64,6,0.372,0.68,1.0,0.16731204166952232,0.19291857994654238,0.21906483448701256,0.2630131587965184,0.21057715372489888
EOS-3-16639,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)ccc2F)cn1,YXZKEBXKZKPFHF-UHFFFAOYSA-N,3,1,0.512,73,394,437.385,3.583,5,0.418,0.68,1.0,0.591811733260229,0.6643564526077719,0.8977366184634363,0.8695343019669659,0.7558597765746007
EOS-3-16640,COc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cc5C)nc4)n23)c(F)c1,RSXLQKYSFFPQEA-UHFFFAOYSA-N,3,1,0.381,96,478,430.418,4.511,5,0.391,0.8,1.0,0.4814954423959975,0.6211705846069495,0.8796861078747172,0.8222277431293263,0.7011449695017477
EOS-3-16641,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)nn2C)cn1,OPXBKEKHNPSLSD-UHFFFAOYSA-N,3,1,0.402,31,569,436.867,1.99,5,0.397,0.68,0.896,0.22861695565759715,0.16726920704543896,0.05114454115550682,0.06306113357549174,0.12752295935850866
EOS-3-16642,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cn1,SAGFIUXOEMYQTE-UHFFFAOYSA-N,3,1,0.416,7,94,435.81,2.805,5,0.41,0.62,1.0,0.5014306764443835,0.535458501816188,0.38797889109725175,0.40655198409978754,0.4578550133644027
EOS-3-16643,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccncc5F)ncn4)n23)cc1Cl,QFUNLLQJUNKZCC-UHFFFAOYSA-N,3,1,0.5,13,573,437.797,4.367,5,0.412,0.71,0.995,0.7979576451237064,0.7268864368446303,0.8858885614419848,0.9105099033650881,0.8303106366938524
EOS-3-16644,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)cn5)n34)cn2)n1C,GMHOQFQDGGTYBV-UHFFFAOYSA-N,3,1,0.473,65,795,431.435,2.446,5,0.403,0.66,1.0,0.6518830100747036,0.5399561373449386,0.10100404358851346,0.07943252690014392,0.3430689294770749
EOS-3-16645,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(C#N)nc3)n12,KRUNEUMGUSLPBX-UHFFFAOYSA-N,3,1,0.541,24,710,436.435,3.103,5,0.395,0.69,0.937,0.5947930230964293,0.39523507641696937,0.3953892810636694,0.26896717154410255,0.4135961380302927
EOS-3-16646,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)n(C)n4)n23)ccc1F,GLECOJMIEDSJDA-UHFFFAOYSA-N,3,1,0.458,95,235,430.447,3.051,5,0.408,0.72,1.0,0.39164553491878557,0.30866630114454113,0.24766979644986636,0.21881639366732916,0.29169950654513055
EOS-3-16647,c1cc(-c2cnncn2)nc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c1,ZGHPGDSWGPAAPT-UHFFFAOYSA-N,3,1,0.268,76,368,430.435,3.162,6,0.415,0.66,0.995,0.09257418956891235,0.05925741895689123,0.30598485367692413,0.3269566856281269,0.19619328695771365
EOS-3-16648,c1cncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)nc2)c1,XXMCWVUSCNIPDK-UHFFFAOYSA-N,3,1,0.277,94,165,430.435,3.162,6,0.415,0.66,1.0,0.09038962374066205,0.09086080460557878,0.33182269892399424,0.3494534301966966,0.21563163936673294
EOS-3-16649,N#Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)nn2)c1,SJULWGJOUJANDT-UHFFFAOYSA-N,3,1,0.434,54,691,456.416,3.415,5,0.382,0.7,0.95,0.8192121855938592,0.7755208690288534,0.6851997806867247,0.7164090877938455,0.7490854807758207
EOS-3-16650,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)nc2)nn1,VKLBXBNZIGBPMJ-UHFFFAOYSA-N,3,1,0.293,64,365,443.474,4.076,6,0.401,0.68,1.0,0.08303920224796107,0.04792337742443972,0.22614111438558016,0.2630217257213351,0.155031354944829
EOS-3-16651,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)n[nH]1,IKURBLGCPZCWMU-UHFFFAOYSA-N,3,1,0.489,36,208,437.826,3.046,5,0.445,0.65,1.0,0.6612723596737715,0.7268950037694469,0.342608457268179,0.37860667534781717,0.5273456240148037
EOS-3-16652,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,NQOMSBPFTNJITG-UHFFFAOYSA-N,3,1,0.432,65,466,445.874,3.017,5,0.388,0.66,1.0,0.6284696045507505,0.6116784319100815,0.2987543691316565,0.3083664587759578,0.4618172160921116
EOS-3-16653,Clc1cnc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)nc1,DDBOOBDXPBWMRV-UHFFFAOYSA-N,3,1,0.482,2,491,451.277,3.924,5,0.396,0.69,1.0,0.7035929682681105,0.6741141799739565,0.5825594544582277,0.6565948187238709,0.6542153553560415
EOS-3-16654,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)cc1,MALLEXZEGVEBRI-UHFFFAOYSA-N,3,1,0.326,74,582,452.453,3.151,6,0.436,0.59,1.0,0.16467342882598862,0.13658248235213488,0.5363580289219382,0.4480673017613597,0.32142031046535535
EOS-3-16655,Cc1cc(OCc2ccccc2)c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4C)n23)nn1,LWGPOFBSVAMQAW-UHFFFAOYSA-N,3,1,0.365,62,124,451.49,3.543,5,0.419,0.69,0.918,0.30353471317935715,0.16727777397025564,0.3059934206017408,0.22172914810499622,0.24963376396408746
EOS-3-16656,OCc1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncnn5)c4)n23)cc1F,BUOGRRMRYWVCGK-UHFFFAOYSA-N,3,1,0.333,85,81,414.404,2.26,5,0.466,0.76,1.0,0.41548728668357204,0.3766277157151669,0.5888989788225618,0.5701374134740593,0.48778784867384
EOS-3-16657,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccnc(-c5ncc[nH]5)c4)n23)cc1,PVZQXIZLDWLTLB-UHFFFAOYSA-N,3,1,0.286,10,543,436.414,3.235,6,0.447,0.62,0.999,0.142587896648619,0.19292714687135906,0.3244637105064766,0.42267493660475636,0.27066342265780274
EOS-3-16658,Fc1cc(-c2ncc(Cl)cn2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,JZKVXCVOIMDEAG-UHFFFAOYSA-N,3,1,0.628,35,393,447.861,4.057,5,0.387,0.7,1.0,0.8597680076759646,0.8580032211637311,0.6745425262147899,0.69991775752176,0.7730578781440614
EOS-3-16659,Cc1ncc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)cn1,MLMCHUQTRJRJEC-UHFFFAOYSA-N,3,1,0.59,2,995,433.834,4.537,5,0.411,0.77,1.0,0.8062075937221574,0.7926118840381057,0.835129531903228,0.8262627647179769,0.815052943595367
EOS-3-16660,FCc1cncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)c1,KGAWIWIXLFRLKG-UHFFFAOYSA-N,3,1,0.362,51,924,449.837,3.135,5,0.385,0.68,0.798,0.5829878006990611,0.5445737098211226,0.2987629360564732,0.3461465972174628,0.44311776094852995
EOS-3-16662,c1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)cc1,BJUUOCAKKCPJHQ-UHFFFAOYSA-N,3,1,0.348,41,363,433.435,3.826,6,0.436,0.71,1.0,0.4527619765608937,0.3906432047152354,0.36529367418271536,0.35258035775478036,0.3903198033034062
EOS-3-16663,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)ccn1,NBVOHXYHMSPYLB-UHFFFAOYSA-N,3,1,0.338,86,790,429.447,3.767,6,0.417,0.69,1.0,0.14259646357343567,0.12632787334658352,0.4534901651703105,0.45107429237201013,0.29337219861558494
EOS-3-16664,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)cc5)n34)nc2)nc1,PIHIKWQXMQBUOH-UHFFFAOYSA-N,3,1,0.297,38,608,429.447,3.767,6,0.417,0.69,1.0,0.18409464738537454,0.14412994311561922,0.4603522719484614,0.4574395175107943,0.3115040949900624
EOS-3-16665,CCn1ncnc1CCOc1cncc2nnc(-c3ccc(-c4cnn(C)c4)cc3F)n12,NCSGLAICQUDZKX-UHFFFAOYSA-N,3,1,0.5,36,460,433.451,2.564,5,0.389,0.75,1.0,0.3035432801041738,0.29871153450757315,0.09140052086902885,0.10622130080186416,0.19996915907066
EOS-3-16666,Cc1cccc(COCc2cncc3nnc(-c4ccnc(-c5cnc(C)nc5)c4)n23)n1,JLJDSDLMZDCNOH-UHFFFAOYSA-N,3,1,0.38,85,567,424.468,3.372,5,0.409,0.77,1.0,0.22010143238982935,0.10014735110684668,0.2728565554108697,0.17919436639024056,0.1930749263244466
EOS-3-16667,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncc(F)cn1,RYKHHCQXRVMTOU-UHFFFAOYSA-N,3,1,0.553,35,467,443.442,3.413,5,0.377,0.69,1.0,0.9388749914330752,0.7671424165581523,0.4883147145500651,0.37525700774450005,0.6423972825714482
EOS-3-16668,Cc1ncc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cn4)n23)cn1,ABFXSZBKSYGDCV-UHFFFAOYSA-N,3,1,0.271,86,968,449.442,1.599,6,0.386,0.66,0.991,0.07652833938729353,0.0592659858817079,0.028296552669453773,0.0229936262079364,0.0467711260365979
EOS-3-16669,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)nc2)cc1,QCZLLYZFSOOYIC-UHFFFAOYSA-N,3,1,0.284,30,301,418.424,3.095,6,0.463,0.72,0.787,0.061373449386608186,0.10345418408608047,0.1947519018573093,0.2748012473442533,0.15859519566856284
EOS-3-16670,Cc1ncc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c2)n1C,AVEGECYCUJOHJX-UHFFFAOYSA-N,3,1,0.448,36,788,459.445,2.107,5,0.407,0.64,1.0,0.45039750531149336,0.2938455212117059,0.24767836337468302,0.15771708587485436,0.2874096189431842
EOS-3-16671,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cc1,QXHRLOHUJOEISX-UHFFFAOYSA-N,3,1,0.347,9,498,431.463,3.711,6,0.419,0.68,1.0,0.09502433006647934,0.028373654992803782,0.32796758275649374,0.3720958124871496,0.20586534507573162
EOS-3-16672,Cc1csc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cnc2F)n1,ZWYQBMIJSTYDGR-UHFFFAOYSA-N,3,1,0.57,89,731,461.482,3.435,5,0.385,0.76,0.998,0.5501936125008567,0.3283188266739771,0.3578832842162977,0.23350866972791448,0.3674760982797615
EOS-3-16673,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cn5)n34)cn2)n1,WUKIUWGNDWAGRS-UHFFFAOYSA-N,3,1,0.333,30,664,452.428,4.379,6,0.369,0.78,0.919,0.006819272154067576,0.1758875334110068,0.7449626482077993,0.7922520731958056,0.4299803817421698
EOS-3-16674,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)ccc2F)cn1,OISUAKIYZSTVEQ-UHFFFAOYSA-N,3,1,0.517,16,772,431.406,3.809,5,0.418,0.69,1.0,0.8972911383729696,0.7713145089438695,0.7799585360838873,0.7353162908642313,0.7959701185662394
EOS-3-16675,c1ccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)nc1,ISGQDDWSAMYVMH-UHFFFAOYSA-N,3,1,0.315,86,421,430.435,3.162,6,0.415,0.67,0.999,0.092582756493729,0.08460694948941128,0.1813103968199575,0.19543725584264274,0.1384843396614351
EOS-3-16676,CC1(NC(=O)c2ccc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)c(F)c2)CC1,YIOAVRRTNHJAAT-UHFFFAOYSA-N,3,1,0.443,68,12,469.427,3.519,5,0.441,0.69,1.0,0.5090295387567678,0.5037780138441506,0.4026283325337537,0.41938523747515594,0.45870528065245697
EOS-3-16677,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnnn5-c5ccccn5)n34)nc2)cc1,QDGDYAAXGLQVFN-UHFFFAOYSA-N,3,1,0.289,30,301,418.424,2.891,6,0.429,0.77,0.883,0.007367555342334316,0.013261599616201767,0.09590672332259612,0.19004866013295868,0.07664613460352272
EOS-3-16678,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)no1,ULIXWCGTWMEJKI-UHFFFAOYSA-N,3,1,0.462,27,52,437.37,2.851,5,0.391,0.73,0.999,0.5014392433692002,0.49923754369131657,0.2513364402714002,0.1954458227674594,0.36186476252484406
EOS-3-16679,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)ccn2)nc1,JLXFWHJRPHBTMB-UHFFFAOYSA-N,3,1,0.558,75,583,431.406,3.543,5,0.38,0.75,1.0,0.9114436981701048,0.8007076279898567,0.6580683297923378,0.642433692001919,0.7531633369885545
EOS-3-16680,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)cc(-c2cnc(F)cn2)n1,WJCHRMLGKRZLNC-UHFFFAOYSA-N,3,1,0.38,33,330,458.417,1.559,5,0.395,0.65,0.917,0.4595726817901446,0.22198615584949627,0.09140908779384552,0.05285792611884038,0.20645646288808167
EOS-3-16681,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)ccn2)o1,XRLLDXJKOPOHJV-UHFFFAOYSA-N,3,1,0.318,32,392,451.425,3.808,6,0.368,0.74,1.0,0.2687358645740525,0.3237183880474265,0.3730296072921664,0.3721043794119663,0.3343970598314029
EOS-3-16682,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cn2)cn1,XLAVFQSPLZIKAN-UHFFFAOYSA-N,3,1,0.299,86,780,449.413,2.696,6,0.37,0.68,1.0,0.2958330477691728,0.2987201014323898,0.3095658282502913,0.330152148584744,0.3085677815091495
EOS-3-16683,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)ccn1,KZUIIFSFEYWJEG-UHFFFAOYSA-N,3,1,0.566,72,889,429.871,3.918,5,0.378,0.75,1.0,0.9513655678157769,0.9469107669111095,0.6198598451099994,0.6335926255911178,0.7879322013570008
EOS-3-16684,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cn2)n1,XJMHMIMQTJLTFE-UHFFFAOYSA-N,3,1,0.494,55,109,436.838,3.353,5,0.417,0.67,1.0,0.6340980741553012,0.7131193886642451,0.5532862723596738,0.5887876087999452,0.6223228359947913
EOS-3-16685,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cc(-c4ccnnc4)nc(F)n3)n12,ROSXNTLSVBGQQN-UHFFFAOYSA-N,3,1,0.343,74,155,427.403,2.252,5,0.431,0.66,0.996,0.15378486738400385,0.1518487423754369,0.30957439517510793,0.23351723665273114,0.21218131039681998
EOS-3-16686,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)nc2)cc1,OWVMRHWZJVVOKF-UHFFFAOYSA-N,3,1,0.351,41,318,461.489,4.145,6,0.377,0.82,1.0,0.3291326845315605,0.19293571379617572,0.3390360496196285,0.2866407374408882,0.28693629634706325
EOS-3-16687,Cc1cc(-c2ncoc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4Cl)n23)ccc1F,NGPKINPKLFHNJO-UHFFFAOYSA-N,3,1,0.392,96,46,448.845,4.313,5,0.438,0.69,0.999,0.3087177026934412,0.4097046124323213,0.744971215132616,0.7456308683434995,0.5522560996504695
EOS-3-16688,Cc1nc(-c2ccc(CO)cc2)cc(-c2nnc3cncc(OCCc4ccsc4)n23)n1,WKGKQTVCQHYTLO-UHFFFAOYSA-N,3,1,0.46,18,531,444.52,3.732,5,0.408,0.76,1.0,0.5502021794256734,0.3237269549722432,0.38058563498046744,0.31761017065314234,0.3930312350078816
EOS-3-16689,Cc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)cn1,WRVPJUXRBLWCGB-UHFFFAOYSA-N,3,1,0.549,4,32,435.9,4.246,5,0.407,0.77,1.0,0.6886094167637585,0.8641714070317319,0.3207970666849428,0.3752655746693167,0.5622108662874374
EOS-3-16690,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)c1,YKRREVSAFUQLLE-UHFFFAOYSA-N,3,1,0.404,46,980,450.865,3.662,5,0.403,0.7,1.0,0.3938986361455692,0.38132239051470085,0.5732300733328765,0.5473322596120896,0.473945839901309
EOS-3-16691,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)nn1C,PBDHYZXHCFANJE-UHFFFAOYSA-N,3,1,0.578,4,610,450.865,3.662,5,0.403,0.7,1.0,0.4989634020971832,0.6741227468987732,0.38440648344870126,0.422683503529573,0.4950440339935577
EOS-3-16692,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cn2)cn1,UOBGTXJPGFRHKM-UHFFFAOYSA-N,3,1,0.277,94,165,431.423,2.557,6,0.41,0.65,0.999,0.12333801658556645,0.10346275101089712,0.2805410869714207,0.2779881433760537,0.1963324994859845
EOS-3-16693,c1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nn5)n34)ccn2)nc1,WIOUIXYHQJTUHJ-UHFFFAOYSA-N,3,1,0.253,86,513,431.423,2.557,6,0.41,0.65,1.0,0.08768247549859502,0.03431053389075457,0.11445411555068193,0.13326708244808444,0.09242855184702899
EOS-3-16694,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]c5=N)cc4)n23)c1,XGNMHXMJDVXYFD-UHFFFAOYSA-N,3,1,0.29,25,791,447.466,2.518,6,0.423,0.75,1.0,0.07077136591049277,0.023593310945103144,0.17164690562675622,0.18471146597217464,0.11268076211363169
EOS-3-16695,Fc1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1-c1ncccn1,RZBHMLGOYZCGQY-UHFFFAOYSA-N,3,1,0.573,35,161,447.861,4.057,5,0.387,0.71,1.0,0.964541498183812,0.9609433897608115,0.7063429511342608,0.737903502158865,0.8424328353094374
EOS-3-16696,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)ncc1Cl,JMXOZYNHWMXAMO-UHFFFAOYSA-N,3,1,0.478,11,501,447.861,4.057,5,0.387,0.71,1.0,0.8220564046329929,0.8126156534850251,0.622806867246933,0.6594133369885546,0.7292230655883765
EOS-3-16697,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1Cl,SKBGCQRAQLFQFU-UHFFFAOYSA-N,3,1,0.5,13,145,438.278,4.686,5,0.405,0.81,1.0,0.4504060722363101,0.6255225824138168,0.7013141662668768,0.7967668425741896,0.6435024158727982
EOS-3-16698,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nc1,SILYJAFQVJSZQX-UHFFFAOYSA-N,3,1,0.288,32,171,428.459,4.372,6,0.411,0.76,1.0,0.11245802206839833,0.13659104927695154,0.6017664998971969,0.6101021177438147,0.3652294222465904
EOS-3-16699,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)nc1,WGABUUPDYYVQNC-UHFFFAOYSA-N,3,1,0.347,6,318,450.466,3.175,6,0.393,0.71,1.0,0.3459324240970461,0.24240113768761565,0.20866458775957783,0.15483859913645398,0.2379591871701734
EOS-3-16701,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cn1,IYXJSKONPKBADU-UHFFFAOYSA-N,3,1,0.675,90,636,408.849,2.821,4,0.527,0.88,1.0,0.7252073195805634,0.5974659036392297,0.3464807072853129,0.3206257281886094,0.49744491467342883
EOS-3-16702,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)n(C)n1,ZBDQDHSFBAJSEU-UHFFFAOYSA-N,3,1,0.296,99,286,435.455,2.444,6,0.414,0.64,1.0,0.0434857103694058,0.04075286135288877,0.08434137482009457,0.09593242409704612,0.06612809265985882
EOS-3-16703,Cc1nc(-c2ncc(F)cc2-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)no1,VWTBHTRKJNIPMZ-UHFFFAOYSA-N,3,1,0.284,98,882,454.429,3.146,6,0.395,0.68,1.0,0.19524021657185936,0.2524158727983003,0.11755534233431568,0.1472226029744363,0.17810850866972788
EOS-3-16704,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccncc5F)ncn4)n23)cc1F,DWCZCMGKCQGKAU-UHFFFAOYSA-N,3,1,0.554,44,488,435.369,3.64,5,0.416,0.67,0.719,0.8220649715578096,0.6988211911452266,0.8902576930984853,0.8852631759303681,0.8241017579329724
EOS-3-16705,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)cnn1,FVBJZWZRVATGJL-UHFFFAOYSA-N,3,1,0.443,92,980,435.398,2.542,5,0.414,0.65,1.0,0.417808923308889,0.3717103008703996,0.4243112192447399,0.3847662942910013,0.3996491844287574
EOS-3-16706,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,LTGDEXOSPWWGSD-UHFFFAOYSA-N,3,1,0.578,4,744,429.871,4.184,5,0.413,0.71,1.0,0.57450654513056,0.6693424028510726,0.619868412034816,0.597817147556713,0.6153836268932904
EOS-3-16707,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)nc1,OPGHKNQOOMZYOB-UHFFFAOYSA-N,3,1,0.271,86,654,452.417,2.035,6,0.365,0.67,1.0,0.0973459666917963,0.2320094578849976,0.09358508669727915,0.13775615105201836,0.14017416558152285
EOS-3-16708,Cc1ccnc(CCOc2ncccc2-c2cncc3nnc(-c4ccc(C)nc4)n23)c1,XTBZLPSTGVWDSM-UHFFFAOYSA-N,3,1,0.392,82,796,423.48,3.882,5,0.409,0.8,0.999,0.3387533411006785,0.22199472277431292,0.31723322596120895,0.21882496059214585,0.27420156260708656
EOS-3-16709,COc1cc(-c2nnc3cncc(OCc4csc(C)n4)n23)ccc1-c1ncccn1,NWAQNMVUMKFTKJ-UHFFFAOYSA-N,3,1,0.547,4,248,431.481,3.601,5,0.402,0.76,1.0,0.40440168597080395,0.31377218833527515,0.1981615379343431,0.10416523884586389,0.2551251627715715
EOS-3-16710,Fc1ccccc1-c1ncoc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,LNKVZHCTGODBHP-UHFFFAOYSA-N,3,1,0.373,32,327,436.41,4.104,6,0.406,0.72,1.0,0.3265197724624769,0.4234887944623398,0.5018076211363169,0.5473408265369063,0.44978925364950995
EOS-3-16711,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)n1C,WLILCDIHQKAARM-UHFFFAOYSA-N,3,1,0.361,85,60,433.426,3.214,5,0.42,0.68,0.239,0.22272291138372968,0.247549859502433,0.29877150298128985,0.26303029264615174,0.25801864162840105
EOS-3-16712,Cc1cnc(-c2nnc3cncc(OCc4cnnc(-c5ncc(Cl)nn5)c4)n23)cn1,NHOIVWSHWNHPBZ-UHFFFAOYSA-N,3,1,0.404,53,828,433.823,1.764,5,0.4,0.64,0.673,0.5475121650332396,0.5171424165581523,0.04266328558700569,0.055693578233157424,0.29075286135288875
EOS-3-16713,Fc1ccncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ncn1,NNWNARFAKLRCLR-UHFFFAOYSA-N,3,1,0.385,31,194,449.837,2.847,5,0.385,0.67,0.961,0.614454115550682,0.5881279555890617,0.32080563360975944,0.4032879857446371,0.4816689226235351
EOS-3-16714,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nccn1C,CJGMDGXUXCNSNV-UHFFFAOYSA-N,3,1,0.56,15,604,427.468,3.217,5,0.394,0.72,1.0,0.4791395380714139,0.16335412240422179,0.3578918511411144,0.2217377150298129,0.3055308066616408
EOS-3-16715,Cn1nncc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c1,YAPMCBJNHVSDHM-UHFFFAOYSA-N,3,1,0.406,33,760,428.416,1.055,5,0.418,0.65,0.989,0.17263210198067303,0.06325817284627511,0.07300733328764307,0.03534713179357138,0.08606118497704066
EOS-3-16716,Fc1nccnc1-c1nccnc1-c1cncc2nnc(-c3cccnc3-c3ccccn3)n12,AZLSOXXZOTYZFF-UHFFFAOYSA-N,3,1,0.312,39,114,448.425,3.301,6,0.4,0.65,0.998,0.24758412720169967,0.35255465698033034,0.14642587896648618,0.21329072716057842,0.23996384757727365
EOS-3-16717,Fc1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nc1-c1cncnc1,PFNCXHYTHPKIHY-UHFFFAOYSA-N,3,1,0.287,94,892,448.425,3.301,6,0.4,0.67,0.981,0.22566993352066342,0.3620725104516483,0.3279761496813104,0.3786152422726338,0.323583458981564
EOS-3-16718,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc(C)n2)nn1,NUZGTYFESJZJIS-UHFFFAOYSA-N,3,1,0.523,89,250,453.466,2.333,5,0.409,0.63,1.0,0.45041463916112673,0.14789939003495306,0.12021965595229936,0.055702145157974094,0.1935589575765883
EOS-3-16719,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)c(F)c3)n12,JBUAWXPBTFWPKA-UHFFFAOYSA-N,3,1,0.576,11,595,430.418,4.148,5,0.403,0.73,1.0,0.952702008087177,0.9214927009800562,0.8334589815639778,0.830254951682544,0.8844771605784387
EOS-3-16720,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(F)cc(-c4ccccn4)c3)n12,ILKPTPUEYUCZKI-UHFFFAOYSA-N,3,1,0.545,15,684,429.459,3.656,5,0.41,0.72,1.0,0.40022102666027004,0.4324926324446577,0.40263689945857034,0.38477486121581794,0.405031354944829
EOS-3-16721,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nc(C)n2)cn1,NDGIRFAUQIZPCG-UHFFFAOYSA-N,3,1,0.389,7,500,445.874,3.283,5,0.401,0.65,1.0,0.42256356658213967,0.4500119936947433,0.2052378178329107,0.1820557192790076,0.3149672743472003
EOS-3-16722,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)cc4)n23)cc1,KYPWNFDKUDSALD-UHFFFAOYSA-N,3,1,0.312,64,885,434.438,4.445,6,0.44,0.72,1.0,0.29038448358577207,0.3378795147693784,0.6745510931396066,0.7508566924816668,0.513417945994106
EOS-3-16723,FC(F)n1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(Cl)nn5)n34)cn2)cn1,ORIPETDLPFYEMB-UHFFFAOYSA-N,3,1,0.357,85,476,439.817,3.479,5,0.413,0.68,1.0,0.1753221163731067,0.3328678637516277,0.6137601946405319,0.6191487903502159,0.43527474127887056
EOS-3-16724,Cc1noc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)nn2)n1,WYFRQAJYJSKTBL-UHFFFAOYSA-N,3,1,0.309,86,780,435.411,2.459,6,0.402,0.66,1.0,0.17829483928449044,0.1159276266191488,0.04118977451853883,0.04496778836268933,0.09509500719621684
EOS-3-16725,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)cc1,WKELZQKPHHJRHE-UHFFFAOYSA-N,3,1,0.292,10,37,417.436,3.496,6,0.433,0.79,0.993,0.00021417312041669523,0.005011651017750668,0.3354208073469947,0.39719690219998627,0.18446088342128708
EOS-3-16726,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cn5)n34)nc2)nn1,YPCSLWAXSXFAFB-UHFFFAOYSA-N,3,1,0.248,70,652,435.455,2.444,6,0.414,0.63,0.979,0.03615242272633815,0.01758789664861901,0.1144626824754986,0.09791138372969639,0.06652859639503804
EOS-3-16727,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)c(F)c5)n34)nc2)n1,KMXVONWNDKMXMP-UHFFFAOYSA-N,3,1,0.321,98,882,454.433,1.978,6,0.392,0.65,1.0,0.18687889795079157,0.3037060516756905,0.09848536769241313,0.11787231855253238,0.17673565896785687
EOS-3-16728,OCc1nc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)F)cn5)n34)cn2)no1,VJEWODAOKWEMRE-UHFFFAOYSA-N,3,1,0.357,85,290,436.382,2.652,5,0.427,0.68,0.995,0.2714515797409362,0.3328764306764444,0.402645466383387,0.37527414159413336,0.34556190459872527
EOS-3-16729,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c(Cl)c2)cn1,BNBFXEFLPMZAAK-UHFFFAOYSA-N,3,1,0.494,16,772,435.85,3.958,5,0.389,0.76,1.0,0.6733260228908231,0.7315896785689808,0.8351380988280447,0.8164964704269755,0.764137567678706
EOS-3-16730,OCC(F)(F)c1ncc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)cn4)n23)cn1,LKRRZRCHSRNTBI-UHFFFAOYSA-N,3,1,0.358,50,845,450.384,2.929,5,0.435,0.63,1.0,0.2985316290864231,0.4944657665684326,0.7729079569597698,0.7082705092180112,0.5685439654581591
EOS-3-16731,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnc(C)n5C)on4)n23)cn1,DWEXAPBHWGLLAX-UHFFFAOYSA-N,3,1,0.326,50,974,416.405,1.305,5,0.459,0.74,0.999,0.1154221780549654,0.07418100198752656,0.008378452470701117,0.0023644712494003154,0.050086525940648344
EOS-3-16732,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)c(C)n1,IPWCJOHYUSTZBT-UHFFFAOYSA-N,3,1,0.449,51,48,445.874,3.283,5,0.401,0.67,1.0,0.5829963676238777,0.5779161812075937,0.17165547255157287,0.14963847577273662,0.3705516242889453
EOS-3-16733,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4csc(-c5ncccn5)n4)n23)nc1,JELLAUXCVCFQTC-UHFFFAOYSA-N,3,1,0.398,33,53,471.506,2.571,6,0.38,0.74,0.993,0.24462853813994928,0.13659961620176822,0.011351175382084846,0.011633883901034885,0.10105330340620931
EOS-3-16734,Cc1c(F)cccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,DNUWHKPUFQHQGQ-UHFFFAOYSA-N,3,1,0.356,62,302,464.504,4.86,6,0.402,0.85,1.0,0.22273147830854637,0.24240970461243233,0.5765454732369268,0.6191573572750325,0.4152110033582346
EOS-3-16735,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cn2)nc1,WLXOASCWZLPGNJ-UHFFFAOYSA-N,3,1,0.5,73,930,452.812,3.549,5,0.399,0.7,1.0,0.7724967445685696,0.854936262079364,0.6634826262764718,0.6858851346720581,0.7442001918991159
EOS-3-16736,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cc2)cn1C,NNMCLNRBBOVMIF-UHFFFAOYSA-N,3,1,0.317,25,508,466.484,3.497,6,0.392,0.7,1.0,0.26614865327941883,0.352563223905147,0.3208142005345761,0.317618737577959,0.31428620382427525
EOS-3-16737,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4cccc(F)c4)n23)cc1,RKASAUFYFCSNRJ-UHFFFAOYSA-N,3,1,0.387,9,642,448.465,4.455,6,0.396,0.75,1.0,0.18990302241107532,0.31378075526009186,0.5985196353916798,0.6453807141388527,0.4368960318004249
EOS-3-16738,Cn1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)F)nc5)n34)cc2)nn1,BOXJXJVIWRFMQH-UHFFFAOYSA-N,3,1,0.366,85,476,418.411,3.51,5,0.434,0.76,0.972,0.20087725310122678,0.2220032896991296,0.6961483106024261,0.6070180248098143,0.43151171955314915
EOS-3-16739,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c1,SVYDRYIOHPWGSV-UHFFFAOYSA-N,3,1,0.472,2,328,435.85,3.958,5,0.415,0.7,1.0,0.6766499897196903,0.5928054965389624,0.8383935302583785,0.8262713316427935,0.7335300870399561
EOS-3-16740,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)cc1F,BLYSDEIMZHHHRZ-UHFFFAOYSA-N,3,1,0.516,89,788,462.47,2.783,5,0.409,0.68,1.0,0.3756853539853334,0.34781714755671306,0.34648927421012954,0.25095092865465013,0.3302356761017065
EOS-3-16741,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,GURNPWJIDGCLAJ-UHFFFAOYSA-N,3,1,0.5,46,162,433.834,4.015,5,0.413,0.74,1.0,0.6766585566445069,0.6741313138235899,0.6017750668220135,0.6970992392570763,0.6624160441367968
EOS-3-16742,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nncn5C)n4)n23)cc1,REMOCNLBNVNHJS-UHFFFAOYSA-N,3,1,0.337,74,423,411.429,2.008,5,0.481,0.81,1.0,0.14260503049825235,0.03431910081557124,0.09359365362209582,0.05571071208279076,0.08155712425467754
EOS-3-16743,CCn1cc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccncc6)nc5)n34)n2)cn1,LHCXHVCQCRSXCT-UHFFFAOYSA-N,3,1,0.316,86,989,446.478,3.589,6,0.395,0.67,1.0,0.059557261325474606,0.02595778219450346,0.17814063463779042,0.16553868823247206,0.10729859159756014
EOS-3-16744,c1ccc(-c2ncncc2-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1,IPIAOUROKKGCCG-UHFFFAOYSA-N,3,1,0.333,94,327,429.447,3.767,6,0.417,0.7,0.852,0.20088582002604344,0.11305770680556508,0.36905455417723254,0.4032965526694538,0.2715736584195737
EOS-3-16745,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)c(C)cn2)nn1,QVRKBXJRHGONSW-UHFFFAOYSA-N,3,1,0.435,55,980,446.421,3.512,5,0.404,0.67,1.0,0.6312795558906175,0.5037865807689672,0.5466212048523063,0.4819580563360976,0.5409113494619971
EOS-3-16746,OCc1cc(COc2cncc3nnc(-c4cc(-c5cncc(F)c5)ncn4)n23)ccn1,SIFZMBZBYUQQEJ-UHFFFAOYSA-N,3,1,0.374,46,395,430.403,2.249,5,0.432,0.67,0.888,0.48902576930984853,0.4004180659310534,0.49146734288259886,0.4257590295387568,0.4516675519155644
EOS-3-16747,Cc1nn(C)cc1COc1cncc2nnc(-c3ccc(-c4cccnn4)cc3F)n12,ATYQYMOTUHJYAR-UHFFFAOYSA-N,3,1,0.461,36,820,416.42,3.008,5,0.435,0.79,1.0,0.3980707285312864,0.4992461106161332,0.3879874580220684,0.33979850592831196,0.40627570077444997
EOS-3-16748,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)o1,MJYZUPMRWQJMPV-UHFFFAOYSA-N,3,1,0.554,16,391,421.367,3.402,5,0.425,0.73,1.0,0.8192207525186759,0.7177198272907956,0.6407288739634021,0.6037625933794805,0.6953580117880884
EOS-3-16749,Cc1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)n1,ZJKWVHYTYQQRMC-UHFFFAOYSA-N,3,1,0.357,93,651,442.486,4.681,6,0.391,0.8,1.0,0.20089438695086012,0.13660818312658488,0.4568655335480776,0.49715578096086627,0.3228809711465972
EOS-3-16750,Cc1ccnc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)c1,SVGDQLQXCPWVFJ-UHFFFAOYSA-N,3,1,0.27,8,890,435.455,2.538,6,0.415,0.62,1.0,0.011325474607634844,0.02596634911932013,0.08165992735247755,0.08278219450346104,0.05043348639572339
EOS-3-16751,Fc1cccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5cnccn5)n34)nn2)c1F,XFAKBTKRDKEFJM-UHFFFAOYSA-N,3,1,0.258,86,872,455.392,2.564,6,0.394,0.65,0.601,0.027465560962236995,0.11002501542046467,0.3616184634363649,0.4510828592968268,0.23754797477897333
EOS-3-16752,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccncn5)n4)n23)cc1,GNHIANIDHZYAPV-UHFFFAOYSA-N,3,1,0.691,1,996,447.405,3.824,5,0.371,0.73,1.0,0.7783565211431704,0.7840706599958879,0.8014443835240902,0.7138647111232952,0.769434068946611
EOS-3-16753,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(C)n5)ccc4F)n23)cn1,YWDDJLWIAMWABL-UHFFFAOYSA-N,3,1,0.462,97,205,427.443,3.978,5,0.419,0.74,1.0,0.7696011239805359,0.762559111781235,0.6550099376327874,0.5407271605784387,0.6819743334932493
EOS-3-16754,Cc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,KHQFKGAZAAYRNB-UHFFFAOYSA-N,3,1,0.462,55,62,432.875,3.523,5,0.419,0.7,1.0,0.5975515728873964,0.49447433349324926,0.2987800699061065,0.29576451237063944,0.4216426221643479
EOS-3-16755,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)cc4OC)n23)cc1Cl,RMOZTMZONNZRQY-UHFFFAOYSA-N,3,1,0.357,0,999,444.825,4.845,4,0.41,0.83,0.96,0.5577239394147077,0.5928140634637791,0.9516825440339935,0.8975053114933863,0.7499314646014668
EOS-3-16756,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cnnnc5)ncn4)n23)cn1,YGJRAEYPPTVZGP-UHFFFAOYSA-N,3,1,0.264,99,841,435.415,1.291,6,0.394,0.63,0.999,0.08102597491604413,0.03718045370433829,0.06060242615310808,0.061604756356658213,0.06010340278253718
EOS-3-16757,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)cc1F,AKABCOWZRHSTFR-UHFFFAOYSA-N,3,1,0.297,64,449,449.453,3.85,6,0.403,0.7,0.999,0.2661572202042355,0.22730621616064697,0.49831231581111646,0.5271571516688369,0.37973322596120895
EOS-3-16758,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)cn1,XYAJKMFBPDHPGX-UHFFFAOYSA-N,3,1,0.484,36,895,453.388,3.033,5,0.386,0.7,1.0,0.5889846480707285,0.6447381947776026,0.6407374408882187,0.6161160989651154,0.6226440956754163
EOS-3-16759,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncn5C)ncc4F)n23)cc1,MEUPPEGVCCQMDO-UHFFFAOYSA-N,3,1,0.478,89,707,458.457,2.665,5,0.416,0.63,1.0,0.6428877390172024,0.33288499760126106,0.46036083887327806,0.28979336577342196,0.43148173531629086
EOS-3-16760,N#Cc1cc(-c2nnc3cncc(Oc4ccc(-c5nnco5)nc4)n23)ccc1Cl,OURMHNLFMCOBMB-UHFFFAOYSA-N,3,1,0.471,13,374,416.788,3.554,5,0.431,0.79,0.889,0.7894335549311219,0.8488280446850799,0.6634911932012885,0.6712014255362895,0.743238554588445
EOS-3-16761,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ccc2F)c1,FVHSYGVQPQDWSL-UHFFFAOYSA-N,3,1,0.461,73,911,436.838,3.353,5,0.39,0.73,1.0,0.7609056952916181,0.7498286615036667,0.5363665958467548,0.5538688232472072,0.6502424439723117
EOS-3-16762,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cnc(F)c(Cl)c4)n23)cc1,SWGWEKOXZPOQOX-UHFFFAOYSA-N,3,1,0.433,66,646,410.84,3.124,4,0.511,0.84,1.0,0.37807552600918376,0.36208107737646494,0.5629411966280584,0.5207148242067028,0.45595315605510245
EOS-3-16763,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1-c1ncccn1,BUUMRKATLOGGNQ-UHFFFAOYSA-N,3,1,0.433,95,998,438.373,2.978,5,0.389,0.7,1.0,0.47914810499623056,0.395243643341786,0.6284696045507505,0.6191659241998492,0.530506819272154
EOS-3-16764,Cc1ncc(CCOc2cncc3nnc(-c4cccc(-c5cnc(C)nn5)c4)n23)cn1,FGXYCYZDYGUENV-UHFFFAOYSA-N,3,1,0.562,15,438,425.456,2.672,5,0.405,0.68,1.0,0.6856024261531081,0.4897196902199986,0.12313241038996642,0.08626893290384484,0.3461808649167295
EOS-3-16765,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cc5F)c4)n23)cn1,ALZSRTKYPVXFQQ-UHFFFAOYSA-N,3,1,0.511,55,879,431.406,3.809,5,0.418,0.7,1.0,0.8165907065999589,0.7713230758686862,0.7474898910287163,0.6915735727503255,0.7567443115619217
EOS-3-16766,Fc1ccc(-c2cc(-c3nnc4cncc(COc5cccc(Cl)n5)n34)ccn2)cn1,MUBWFSFVUNGOKV-UHFFFAOYSA-N,3,1,0.366,14,525,433.834,4.015,5,0.386,0.73,1.0,0.534815982454938,0.6068466863134809,0.7114916729490782,0.7164176547186621,0.6423929991090399
EOS-3-16767,Fc1ccc(-c2ccnc(-c3nnc4cncc(COc5ccnc(Cl)c5)n34)c2)nc1,QGQVRCVCYBYFQB-UHFFFAOYSA-N,3,1,0.347,24,920,433.834,4.015,5,0.386,0.73,1.0,0.4456085943389761,0.5081985470495511,0.7165632924405455,0.7483294496607498,0.6046749708724557
EOS-3-16769,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cncnc3-c3ccccn3)n12,FHOMSNFUWHNDJV-UHFFFAOYSA-N,3,1,0.299,94,615,437.398,3.499,6,0.408,0.66,0.951,0.33152285655541086,0.3952522102666027,0.4094647385374546,0.4542783222534439,0.39762953190322803
EOS-3-16770,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)no1,NRSJKXLXJHUEOI-UHFFFAOYSA-N,3,1,0.465,51,196,438.81,3.311,5,0.407,0.71,1.0,0.7220632581728462,0.7222688643684463,0.29506202453567265,0.3269652525529436,0.5165898499074772
EOS-3-16771,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ccccn1,XUWFXNGLHIOIJZ-UHFFFAOYSA-N,3,1,0.511,11,132,447.861,4.057,5,0.387,0.72,1.0,0.9388835583578918,0.9363220478377082,0.5951271331642793,0.6594219039133713,0.7824386608183127
EOS-3-16772,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)nn1,GUTIQAAHFLIZOH-UHFFFAOYSA-N,3,1,0.329,9,598,433.435,3.669,6,0.41,0.68,1.0,0.20639435268316086,0.12272976492358303,0.32082276745939275,0.31462888081694196,0.24114394147076965
EOS-3-16773,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(F)cn5)cn4)n23)cc1F,IKQSNATYUVAOPZ-UHFFFAOYSA-N,3,1,0.386,85,260,445.393,2.006,5,0.434,0.56,1.0,0.30355184702899046,0.27792817490233707,0.2691642108148859,0.27177712288396955,0.28060533890754574
EOS-3-16774,COc1ccc(OCc2cncc3nnc(-c4cnc(-c5cnc(F)cn5)nc4)n23)cn1,YRCGDXXRUZWQGN-UHFFFAOYSA-N,3,1,0.35,7,489,431.391,2.16,5,0.395,0.66,1.0,0.5014478102940169,0.48507641696936465,0.20524638475772736,0.13108251661983414,0.33071328216023577
EOS-3-16775,COc1cc(COc2cncc3nnc(-c4cncc(-c5nnc(C)o5)c4)n23)c(F)cn1,MMOWKQJGGIZJHC-UHFFFAOYSA-N,3,1,0.419,2,142,434.391,2.666,5,0.394,0.68,1.0,0.5662994311561922,0.48508498389418137,0.29154958536083886,0.17920293331505724,0.38053423343156745
EOS-3-16776,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)nc1,VJAUMFCINHUCNC-UHFFFAOYSA-N,3,1,0.363,62,302,464.504,4.86,6,0.402,0.84,1.0,0.2738760194640532,0.26263621410458504,0.5697690357069426,0.6037711603042971,0.4275131073949695
EOS-3-16777,N#Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cn1,OXNKVOAUWSJWFL-UHFFFAOYSA-N,3,1,0.392,46,62,441.842,3.142,5,0.404,0.64,1.0,0.757710232335001,0.8126242204098417,0.5498081008841066,0.5603025837845247,0.6701112843533685
EOS-3-16778,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)c1,ZRJVGPPKHGAPPI-UHFFFAOYSA-N,3,1,0.38,46,238,441.842,3.142,5,0.404,0.64,0.993,0.6228582687958331,0.5974744705640463,0.45687410047289423,0.5072904530189843,0.5461243232129396
EOS-3-16779,Cn1nnc(-c2cnnc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)c2)n1,RLXHVHOFVDMLJR-UHFFFAOYSA-N,3,1,0.247,98,342,434.427,1.896,6,0.404,0.64,0.253,0.046381330957439515,0.021288808169419506,0.04119834144335549,0.07179082996367624,0.04516482763347268
EOS-3-16780,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)cn1,JRKQCJJACTZZAO-UHFFFAOYSA-N,3,1,0.483,4,525,434.822,3.41,5,0.387,0.68,1.0,0.5800065108628607,0.6741398807484066,0.5765540401617435,0.6007727366184634,0.6078682920978686
EOS-3-16782,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,SZIKTYBGCINWIM-UHFFFAOYSA-N,3,1,0.714,43,520,417.86,3.819,5,0.432,0.79,1.0,0.9263672812007402,0.9032708518950038,0.6078832842162977,0.6453892810636694,0.7707276745939278
EOS-3-16783,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(F)cc4)n23)cc1,HWLZNGWZWJQGPQ-UHFFFAOYSA-N,3,1,0.4,9,642,438.426,4.048,6,0.409,0.71,1.0,0.27146014666575286,0.3906517716400521,0.48481084230004795,0.5308666301144541,0.41944734768007674
EOS-3-16784,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ccn2)c(F)c1,LWTWCAJWXBZBKS-UHFFFAOYSA-N,3,1,0.605,75,361,438.426,3.276,5,0.397,0.69,1.0,0.9497721197998766,0.8886985127818519,0.7349736138715647,0.7138732780481118,0.8218293811253512
EOS-3-16785,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cn1,SLGVVZGCAPNCQF-UHFFFAOYSA-N,3,1,0.296,86,812,433.439,2.501,6,0.412,0.64,1.0,0.10497052977863067,0.04076142827770544,0.12314097731478309,0.12482009457884997,0.09842325748749228
EOS-3-16786,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nc1,AHSPTNHCULLEKG-UHFFFAOYSA-N,3,1,0.277,94,892,433.439,2.501,6,0.412,0.64,1.0,0.12909499006236722,0.07418956891234323,0.08921595504077856,0.10622986772668083,0.09968259543554245
EOS-3-16787,Cn1cc(-c2cncc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)c2)nn1,LBFVPPRNKNXAFB-UHFFFAOYSA-N,3,1,0.279,98,880,433.439,2.501,6,0.412,0.65,0.994,0.01614008635460215,0.00465184017545062,0.10367692413131382,0.15224282091700364,0.06917791789459256
EOS-3-16788,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)nc4)n23)cn1,NWUDXIZVGQJXFT-UHFFFAOYSA-N,3,1,0.282,70,899,433.439,2.501,6,0.412,0.64,1.0,0.0810345418408608,0.04427386745253924,0.16210335138098828,0.16285724076485505,0.11256725035981086
EOS-3-16789,Cn1cc(-c2ccc(Cc3cncc4nnc(-c5cc(F)cc(C(F)F)c5)n34)nc2)nn1,WQCABJZTZQFWNB-UHFFFAOYSA-N,3,1,0.34,85,81,436.401,3.649,5,0.418,0.65,1.0,0.15907065999588788,0.32373552189705984,0.8226303885957097,0.7945565759714893,0.5249982866150367
EOS-3-16790,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nccc(-c5c(F)cccc5F)n4)n23)cc1,SKDBOOUWOAZSQU-UHFFFAOYSA-N,3,1,0.333,3,642,467.443,3.989,6,0.387,0.74,1.0,0.24759269412651636,0.3478257144815297,0.5498166678089234,0.6070265917346309,0.4380654170379001
EOS-3-16791,Cc1ncc(-c2nccc(CCc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1C,QGPRAMNKQOUGHW-UHFFFAOYSA-N,3,1,0.391,85,580,430.903,3.729,5,0.422,0.7,1.0,0.3549276951545473,0.4588187924062778,0.14355595915290248,0.2161435131245288,0.2933614899595641
EOS-3-16792,Cn1nc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,PZGGMWGFJPQFHB-UHFFFAOYSA-N,3,1,0.321,98,866,436.443,1.839,6,0.406,0.67,1.0,0.0420464670002056,0.03718902062915496,0.03837125625385512,0.050304982523473374,0.041977931601672264
EOS-3-16793,Fc1ccccc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cn3)n12,DSVSPULULSQYRY-UHFFFAOYSA-N,3,1,0.333,39,449,448.425,3.301,6,0.4,0.64,0.999,0.22274004523336302,0.2626447810294017,0.3318312658488109,0.42269207045438967,0.30997704064149134
EOS-3-16794,Fc1cc(-c2cnco2)ccc1-c1nnc2cncc(-c3ccc(-c4cccnc4)nc3)n12,LVIIPSJVJGQDNU-UHFFFAOYSA-N,3,1,0.338,42,174,435.422,4.709,6,0.396,0.8,1.0,0.3780840929340004,0.4719004866013296,0.7844219039133713,0.7784678911657871,0.6032185936536221
EOS-3-16795,Fc1cc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)ccc1-c1cncnc1,CHQXWIKTTGEUJH-UHFFFAOYSA-N,3,1,0.342,50,261,438.348,3.863,5,0.395,0.7,0.999,0.33407580015077787,0.5445822767459393,0.967659858817079,0.9473990816256597,0.698429254334864
EOS-3-16796,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(-c2nnco2)c1,DJFXDJCAAIGUKW-UHFFFAOYSA-N,3,1,0.667,43,909,422.807,4.213,5,0.419,0.77,1.0,0.9677797957645123,0.9673171818244123,0.8368686176410116,0.8580888904118977,0.9075136214104584
EOS-3-16797,CCc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)nc1,DJNJFASINDENRO-UHFFFAOYSA-N,3,1,0.292,30,945,446.478,3.453,6,0.396,0.71,0.975,0.026249057638270165,0.06326673977109176,0.0984939346172298,0.1332756493729011,0.0803213453498732
EOS-3-16798,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)cn1,QJMZUELZHZJAET-UHFFFAOYSA-N,3,1,0.333,86,443,451.429,2.64,6,0.398,0.64,1.0,0.2227486121581797,0.3137893221849085,0.17166403947638956,0.2188335275169625,0.23175887533411008
EOS-3-16799,Fc1ccc(-c2ccccn2)cc1Cc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,FSQLUEOEDFYFKN-UHFFFAOYSA-N,3,1,0.419,14,358,432.409,4.916,5,0.395,0.84,0.987,0.40885648687547116,0.5831505722705778,0.9411109588102254,0.9254591871701734,0.7146443012816119
EOS-3-16800,Cc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3cccc(F)c3F)n12,OMTGAQLVXIRLCW-UHFFFAOYSA-N,3,1,0.512,43,521,432.434,4.357,5,0.413,0.76,1.0,0.7550116510177507,0.6397693783839353,0.852923034747447,0.7967754094990063,0.7611198684120348
EOS-3-16801,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccn(-c5ccncn5)n4)n23)nc1,QBNZSHIUUNUHQD-UHFFFAOYSA-N,3,1,0.262,70,813,421.428,2.229,6,0.425,0.72,0.936,0.0008138578575834418,0.005020217942567336,0.1344407511479679,0.12027105750119937,0.06513647111232951
EOS-3-16802,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)ccc4F)n23)cn1,ACHHEVOLXMSXTI-UHFFFAOYSA-N,3,1,0.472,16,205,429.459,3.922,5,0.421,0.71,1.0,0.6401377561510521,0.5495682269892399,0.6198769789596327,0.48511068466863133,0.5736734116921389
EOS-3-16803,CCc1nc(CO)cc(-c2cncc3nnc(-c4c(-c5cccc(F)c5)cnn4C)n23)n1,GULUZTBHRXMSGH-UHFFFAOYSA-N,3,1,0.308,50,844,430.447,2.843,5,0.457,0.65,0.824,0.10737783565211431,0.1842145843328079,0.1589335891988212,0.21015523267767802,0.16517031046535535
EOS-3-16804,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnnn6C)nc5)n34)cn2)n1,XRRSQTXQGOTALK-UHFFFAOYSA-N,3,1,0.279,99,286,437.431,1.234,6,0.395,0.65,0.996,0.052575217599890346,0.05154718662189021,0.023122130080186418,0.020432115687752724,0.03691916249742992
EOS-3-16805,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)cc1,XBPNIPJPPDXOPN-UHFFFAOYSA-N,3,1,0.512,24,805,449.396,4.241,5,0.396,0.75,1.0,0.7951648276334727,0.6839575765883079,0.9648413405523953,0.9181430333767391,0.8405266945377288
EOS-3-16806,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc(C)n2)nc1,COBMNMXDVHAOAI-UHFFFAOYSA-N,3,1,0.537,65,509,424.468,3.277,5,0.409,0.73,1.0,0.6766671235693236,0.3430025358097457,0.1716726064012062,0.12482866150366664,0.32904273182098553
EOS-3-16807,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnnn6C)o5)n34)nc2)cn1,DILUAFSPMYOHKP-UHFFFAOYSA-N,3,1,0.245,99,286,426.404,1.432,6,0.406,0.68,1.0,0.04946542389143993,0.044282434377355906,0.02013227331916935,0.017964841340552394,0.03296124323212939
EOS-3-16808,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,RPQYPHIBACHSAC-UHFFFAOYSA-N,3,1,0.636,2,884,447.861,4.323,5,0.396,0.77,1.0,0.8485881707902131,0.8384963333561785,0.8431053389075458,0.8182269892399424,0.83710420807347
EOS-3-16809,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)nc1,UYASBKCOSBDAEB-UHFFFAOYSA-N,3,1,0.287,76,902,450.441,3.245,6,0.402,0.67,1.0,0.1480964293057364,0.1929442807209924,0.26195942704406827,0.2630388595709684,0.21650974916044138
EOS-3-16810,CNC(=O)c1ccc(-c2nnc3cncc(Oc4c(F)cc(-c5nnc(C)s5)cc4F)n23)cc1,JOZXOWNMMYAOJR-UHFFFAOYSA-N,3,1,0.456,62,451,479.472,4.048,5,0.405,0.84,1.0,0.7158008361318621,0.5399647042697553,0.4914759098074155,0.3687975464327325,0.5290097491604414
EOS-3-16811,Cn1c(CCOc2cncc3nnc(-c4ccc(Cl)c(CF)c4)n23)nnc1C(F)(F)F,BESCUANPCJJHJT-UHFFFAOYSA-N,3,1,0.556,68,12,455.803,3.683,4,0.412,0.68,1.0,0.6144626824754986,0.7362158179699815,0.7244191624974299,0.6944520594887259,0.692387430607909
EOS-3-16812,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)cc1,WEDAYGARGABQBG-UHFFFAOYSA-N,3,1,0.323,10,952,418.424,2.891,6,0.429,0.76,0.996,0.02405592488520321,0.044291001302172575,0.12581385785758345,0.18725584264272496,0.09535415667192104
EOS-3-16813,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)cc5)n34)cc2)n[nH]1,PYTCQHNUMUEPNJ-UHFFFAOYSA-N,3,1,0.301,9,537,433.479,3.952,6,0.452,0.7,1.0,0.09039819066547872,0.0741981358371599,0.3990387910355699,0.352588924679597,0.22905601055445138
EOS-3-16814,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,AEWAYGDISIDCGD-UHFFFAOYSA-N,3,1,0.494,46,16,417.379,3.501,5,0.432,0.76,1.0,0.7462219861558494,0.654967103008704,0.77514392433692,0.7611198684120348,0.734363220478377
EOS-3-16815,COc1nc(-c2cc(C)ncn2)ccc1-c1nnc2cncc(OCc3ccc(F)cn3)n12,LSTMLEAOESFUIP-UHFFFAOYSA-N,3,1,0.484,4,710,444.43,3.073,5,0.39,0.68,1.0,0.5663079980810088,0.5679528476458091,0.3095829620999246,0.2011428277705435,0.41124665889932155
EOS-3-16816,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc(C#N)ccn5)cn4)n23)nc1,QEGNUTDGUQFWTE-UHFFFAOYSA-N,3,1,0.267,70,652,458.449,2.372,6,0.385,0.65,1.0,0.12607943252690015,0.12966897402508396,0.1846943321225413,0.22444486327187993,0.16622190048660135
EOS-3-16817,CCc1cc(-c2nnc3cncc(-c4cnn(-c5cccc(C)n5)c4)n23)c(OC)cc1F,KJOXDLSNJLLTLC-UHFFFAOYSA-N,3,1,0.345,82,246,429.459,4.058,5,0.419,0.78,1.0,0.04205503392502227,0.22731478308546363,0.5597114659721746,0.41626687684188884,0.3113370399561373
EOS-3-16818,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nncn5C)nn4)n23)c1,XDPFEKWSERRSDE-UHFFFAOYSA-N,3,1,0.243,39,972,447.466,2.809,6,0.401,0.66,0.373,0.07454081282982661,0.013270166541018437,0.054982523473374,0.07944109382496059,0.05555864916729491
EOS-3-16819,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncc4F)n23)cn1,MLUWRJWJMKMOHZ-UHFFFAOYSA-N,3,1,0.494,55,959,435.369,3.64,5,0.389,0.71,1.0,0.8710335138098828,0.8385049002809951,0.8690459872524159,0.8440391337125626,0.8556558837639641
EOS-3-16820,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)c1,CFJAAZMNJPBWAB-UHFFFAOYSA-N,3,1,0.277,94,615,432.451,3.106,6,0.418,0.67,1.0,0.08769104242341169,0.03432766774038791,0.1716811733260229,0.21016379960249468,0.1259659207730793
EOS-3-16821,Clc1ccccc1-c1nccnc1-c1nnc2cncc(-c3ncn(-c4ccccc4)n3)n12,FBIXVTCCNULVSE-UHFFFAOYSA-N,3,1,0.325,10,144,451.881,4.149,6,0.397,0.72,0.861,0.011334041532451511,0.1227383318483997,0.24418305804948257,0.4289716263450072,0.20180676444383525
EOS-3-16822,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5ncccn5)n4)n23)ccc1Cl,KQWNOZJFQXNHNO-UHFFFAOYSA-N,3,1,0.556,73,242,434.822,3.41,5,0.414,0.66,1.0,0.8901977246247686,0.9543382907271606,0.45688266739771094,0.5173994243026523,0.7047045267630732
EOS-3-16823,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(C)nc4-c4nncc(C)n4)n23)cc1,QBTKTZAARXYUQA-UHFFFAOYSA-N,3,1,0.38,85,357,452.482,2.001,5,0.424,0.6,0.995,0.13964087451168528,0.04429956822698924,0.02014084024398602,0.008849633335617847,0.05323272907956959
EOS-3-16824,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)n1,BIHIEPUCSMNFDZ-UHFFFAOYSA-N,3,1,0.318,3,158,470.859,3.684,6,0.383,0.75,0.985,0.11543074497978206,0.357617709546981,0.3464978411349462,0.510545884449318,0.3325230450277568
EOS-3-16825,Cn1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)c1,RYJDJAMQDLHTMU-UHFFFAOYSA-N,3,1,0.324,98,725,434.467,3.049,6,0.42,0.65,1.0,0.08104310876567747,0.04793194434925639,0.2915581522856555,0.25414639161126723,0.16866989925296416
EOS-3-16826,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)cn1,DEUOQTMOCDYNPX-UHFFFAOYSA-N,3,1,0.523,51,282,430.859,3.579,5,0.416,0.68,1.0,0.539716263450072,0.6889692276060585,0.44976355287506,0.42898019326982384,0.5268573093002535
EOS-3-16827,Cc1nnc(-c2ncccn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ILDFGEFXGCRQTM-UHFFFAOYSA-N,3,1,0.593,4,32,430.859,3.579,5,0.416,0.68,1.0,0.8509869097388801,0.9098845178534714,0.2915667192104722,0.35259749160441367,0.6012589096018093
EOS-3-16828,O=C(c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cc1)N1CCOCC1,ZIJFGXVNBNARGE-UHFFFAOYSA-N,3,1,0.429,52,376,481.491,3.527,6,0.387,0.87,1.0,0.06138201631142485,0.019207045438969228,0.035595572613254745,0.14467822630388597,0.0652157151668837
EOS-3-16829,Cc1csc(COc2cncc3nnc(-c4cc(-c5cncc(CO)c5)ncn4)n23)n1,ADHZWKCZGOSZPN-UHFFFAOYSA-N,3,1,0.381,7,238,432.469,2.48,5,0.431,0.71,0.901,0.32652833938729353,0.2273233500102803,0.1376447810294017,0.09791995065451306,0.19735410527037214
EOS-3-16830,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)cnn5)n34)cc2)nn1,YFWKRZHXPVKCIC-UHFFFAOYSA-N,3,1,0.307,98,63,433.439,2.501,6,0.412,0.66,1.0,0.02502398738948667,0.025974916044136796,0.25830991707216777,0.259980467411418,0.1423223219793023
EOS-3-16831,Cn1nccc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cn3)n12,YRRDNRNHEFHZAK-UHFFFAOYSA-N,3,1,0.256,86,953,433.439,2.501,6,0.412,0.66,0.995,0.02092043040230279,0.031106504009320815,0.11144712494003152,0.12889795079158387,0.07309300253580975
EOS-3-16832,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cn(C)nn6)c5)n34)cc2)n1C,BCUNZRVKXMGQDW-UHFFFAOYSA-N,3,1,0.291,98,725,448.494,3.358,6,0.407,0.66,1.0,0.06139058323624152,0.04794051127407306,0.23695257350421492,0.19005722705777534,0.1340852237680762
EOS-3-16833,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)nc1,VGMVWNFFWXZZLP-UHFFFAOYSA-N,3,1,0.271,10,195,431.463,3.804,6,0.418,0.66,0.988,0.0030583921595504077,0.01458090603796861,0.21551812761291206,0.24809814269069974,0.1203138921252827
EOS-3-16834,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nccc(-c6cn(C)nn6)n5)n34)cn2)n1C,UFAXHTCPNHELBM-UHFFFAOYSA-N,3,1,0.258,99,812,450.47,2.148,6,0.396,0.63,0.998,0.11246658899321499,0.0407699952025221,0.03431053389075457,0.023002193132753066,0.05263732780481118
EOS-3-16835,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)n2)n1C,RFEOCWGTDZUNCB-UHFFFAOYSA-N,3,1,0.276,76,541,446.478,3.414,6,0.405,0.67,0.246,0.04499348913713933,0.02129737509423617,0.0530121307655404,0.08279076142827771,0.050523439106298404
EOS-3-16836,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5cccc(-c6ccccn6)n5)n34)n2)n1C,BCBDZRYYTBRJEI-UHFFFAOYSA-N,3,1,0.345,76,272,446.478,3.414,6,0.405,0.67,1.0,0.01614865327941882,0.012079363991501611,0.049294085395106574,0.06161332328147488,0.03478385648687547
EOS-3-16837,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cnn1,RNZKMHIQAPKCEF-UHFFFAOYSA-N,3,1,0.245,99,286,434.427,1.896,6,0.404,0.66,0.942,0.037514563772188335,0.012087930916318278,0.09591529024741278,0.11561065040093207,0.06528210883421287
EOS-3-16838,COc1cc(-c2nnc(C)s2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,OTETUVBHTSSCEY-UHFFFAOYSA-N,3,1,0.534,15,771,446.496,3.038,5,0.372,0.75,1.0,0.28484168322938797,0.16336268932903844,0.05672160921115756,0.030172709204304024,0.133774672743472
EOS-3-16839,Cc1cccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cn5)n34)cn2)n1,GIKRVKSOTZRMIB-UHFFFAOYSA-N,3,1,0.261,39,114,450.441,3.339,6,0.402,0.67,0.648,0.004609005551367281,0.09400486601329587,0.2190734014118292,0.2541549585360839,0.14296055787814405
EOS-3-16840,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)c1,KOZZWOUOJVJOLK-UHFFFAOYSA-N,3,1,0.53,24,912,434.822,3.41,5,0.414,0.65,1.0,0.5889932149955452,0.6068552532382976,0.5228051538619697,0.5763741347405935,0.5737569392091015
EOS-3-16841,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ncc1-c1ncccn1,SSIYIZYFVVVTND-UHFFFAOYSA-N,3,1,0.422,46,242,434.822,3.41,5,0.414,0.65,1.0,0.8415375916660955,0.7409190596943321,0.5328969912960044,0.5828250291275444,0.6745446679459941
EOS-3-16842,Cc1nc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)c5)c4)n23)cs1,OPHNYMNYFNYYLX-UHFFFAOYSA-N,3,1,0.524,15,394,435.488,3.717,5,0.404,0.73,1.0,0.55021074635049,0.6166044136796656,0.36530224110753207,0.3269738194777603,0.46477280515386193
EOS-3-16843,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ncc4Cl)n23)cc1,YVOVJQSLTNVSCR-UHFFFAOYSA-N,3,1,0.518,55,109,447.861,4.323,5,0.396,0.73,0.999,0.939834487012542,0.9159413336988554,0.7544890686039339,0.7431121924473991,0.8383442704406827
EOS-3-16844,Cc1cc(COc2cncc3nnc(-c4ccc(F)cc4)n23)nc(-c2cnc(Cl)cn2)c1,BPXWGOHJWLFIOW-UHFFFAOYSA-N,3,1,0.541,4,32,447.861,4.323,5,0.396,0.73,1.0,0.8750342676992666,0.9159499006236721,0.6687170173394559,0.6858937015968748,0.7863987218148174
EOS-3-16845,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)cc1,ZAPRFRVVUHJSPC-UHFFFAOYSA-N,3,1,0.294,39,144,453.416,3.774,6,0.401,0.68,0.99,0.020928997327119458,0.1405147008429854,0.5228137207867863,0.659430470838188,0.33592197244876976
EOS-3-16846,COc1ncc(-c2nnc3cncc(-c4ccc(-c5cc(F)cnc5F)cn4)n23)cc1F,UXVKGXNTXFYTLJ-UHFFFAOYSA-N,3,1,0.329,96,575,435.369,3.736,5,0.397,0.7,0.998,0.5830049345486944,0.6936639024055925,0.8187495716537592,0.7734819409224865,0.7172250873826331
EOS-3-16847,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccnnc5)c4)n23)c1F,IWDPQRIAZLNPPV-UHFFFAOYSA-N,3,1,0.264,39,972,454.404,3.169,6,0.399,0.64,1.0,0.012096497841134946,0.07420670276197656,0.529632992940854,0.5949986292920293,0.3027337057089987
EOS-3-16848,Fc1cc(COc2cncc3nnc(-c4cc(-c5ncccn5)cnn4)n23)ncc1Cl,SPTCGQNEEOPTPG-UHFFFAOYSA-N,3,1,0.44,73,65,435.81,2.805,5,0.41,0.65,1.0,0.5423634432184223,0.5779247481324103,0.3915170310465355,0.44807586868617644,0.4899702727708861
EOS-3-16849,Cn1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1ccc(F)cc1,IDFDVSFZFIVUSL-UHFFFAOYSA-N,3,1,0.547,95,266,433.422,3.487,5,0.381,0.75,1.0,0.5773079295456103,0.4944829004180659,0.637430607908985,0.6453978479884861,0.5886548214652868
EOS-3-16850,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)nc2)n1,KTZQESFQINGALJ-UHFFFAOYSA-N,3,1,0.25,99,312,422.416,1.624,6,0.416,0.71,0.959,0.0027928174902337056,0.005028784867384004,0.07516619834144335,0.0717993968884929,0.03869679939688849
EOS-3-16851,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5nncs5)cnc4C(F)F)n23)cc1,VUHRVPBLNQRKRH-UHFFFAOYSA-N,3,1,0.336,74,333,465.449,3.064,5,0.42,0.65,1.0,0.189911589335892,0.18015386196970734,0.22253443903776302,0.1628658076896717,0.18886642450825852
EOS-3-16852,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)nc1,UGWWNOMEAGEEQT-UHFFFAOYSA-N,3,1,0.297,38,339,419.408,3.36,6,0.423,0.74,1.0,0.18410321431019122,0.14413851004043587,0.2915752861352889,0.28083236241518744,0.22516234322527584
EOS-3-16853,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)nc1,QENDJUPSROZRMG-UHFFFAOYSA-N,3,1,0.573,27,770,449.396,4.299,5,0.382,0.74,1.0,0.9595384140908779,0.8782125968062504,0.8782982660544171,0.8342557055719279,0.8875762456308683
EOS-3-16854,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5F)n4C)n23)cc1,PCHJEWFWOAEGTH-UHFFFAOYSA-N,3,1,0.338,8,642,470.447,3.328,6,0.389,0.71,1.0,0.17264066890548968,0.37663628263998356,0.3095915290247413,0.4065605510246042,0.31635725789870467
EOS-3-16855,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cncc(Cl)c4)n23)nc1,HDRKIRLAKRKQPU-UHFFFAOYSA-N,3,1,0.275,94,892,467.884,3.154,6,0.384,0.71,0.997,0.25520869028853405,0.252424439723117,0.21552669453772874,0.2957730792954561,0.25473322596120895
EOS-3-16856,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)cn5)n34)cn2)cn1,JTCIMWIAXBLBOM-UHFFFAOYSA-N,3,1,0.308,10,321,431.463,3.804,6,0.418,0.69,1.0,0.0217685559591529,0.04794907819888972,0.3354293742718114,0.32698238640257693,0.18303234870810775
EOS-3-16857,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5c(F)cccc5Cl)n34)ccn2)cn1,ANKHGPPAIKHNBJ-UHFFFAOYSA-N,3,1,0.476,13,110,433.834,4.537,5,0.411,0.76,1.0,0.7753066959084367,0.7926204509629223,0.7586954286889178,0.7456394352683161,0.7680655027071484
EOS-3-16858,N#Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)cn1,QUVGUVGDJHJXIG-UHFFFAOYSA-N,3,1,0.424,46,160,442.389,3.372,5,0.407,0.68,1.0,0.597560139812213,0.6549756699335206,0.8014529504489069,0.789973271194572,0.7109905078473031
EOS-3-16859,Cc1nc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)c2)cs1,UFQYWRCQMMSQNV-UHFFFAOYSA-N,3,1,0.278,98,63,452.507,3.476,6,0.4,0.69,1.0,0.04206360084983894,0.07058289356452607,0.14643444589130286,0.1422709204304023,0.10033796518401754
EOS-3-16860,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cn5)ncn4)n23)nc1,RWQFOVWKROHCMF-UHFFFAOYSA-N,3,1,0.376,33,53,473.884,2.63,5,0.395,0.69,0.995,0.47423069015146324,0.40042663285587005,0.21908196833664587,0.17088444931807278,0.316155935165513
EOS-3-16861,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)c1,OEFFOHBVVDUJMA-UHFFFAOYSA-N,3,1,0.282,70,957,431.463,3.711,6,0.419,0.7,0.998,0.09735453361661298,0.05539373586457405,0.4314474676170242,0.40330511959427046,0.24687521417312042
EOS-3-16862,N#Cc1ccc(-c2cccc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c2)nc1,XCLJPMUDWDMBOZ-UHFFFAOYSA-N,3,1,0.483,97,348,440.854,3.747,5,0.379,0.74,1.0,0.7753152628332534,0.8049739565485573,0.7349821807963813,0.7269978068672469,0.7605673017613597
EOS-3-16863,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccn4)n23)n1,JIEOTNRZNHYBSG-UHFFFAOYSA-N,3,1,0.467,11,503,426.455,4.317,5,0.402,0.81,0.999,0.7462305530806662,0.6889777945308752,0.6078918511411144,0.6037797272291139,0.6617199814954424
EOS-3-16864,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,AXCLCPUFKFXEGH-UHFFFAOYSA-N,3,1,0.59,35,352,428.883,4.523,5,0.37,0.81,1.0,0.7811407717085875,0.8580117880885477,0.7683760537317524,0.7784764580906038,0.7965012679048729
EOS-3-16865,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4Cl)n23)ccc1F,CUSJKEMWYKDPDN-UHFFFAOYSA-N,3,1,0.483,4,79,450.865,3.662,5,0.403,0.71,1.0,0.4132684531560551,0.577933315057227,0.5697776026317593,0.5635922829141251,0.5311429134397916
EOS-3-16866,N#Cc1nccc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)(F)F)nn5)n34)cc2)n1,WWDNQHJHIQDWTE-UHFFFAOYSA-N,3,1,0.375,14,476,459.395,3.52,5,0.401,0.66,1.0,0.4002295935850867,0.4634620656569118,0.8529316016722637,0.7404564457542321,0.6142699266671235
EOS-3-16867,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2)n(C)n1,RMTOMUUNXUPKOL-UHFFFAOYSA-N,3,1,0.506,20,320,447.89,2.96,5,0.391,0.68,1.0,0.5604053868823248,0.5881365225138784,0.09141765471866219,0.1062384346514975,0.3365494996915907
EOS-3-16868,Cn1cc(-c2c[nH]c(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)c2)nn1,WSZUGMBZBBZAGT-UHFFFAOYSA-N,3,1,0.318,3,774,436.454,4.388,6,0.443,0.74,1.0,0.15657768487423754,0.27297649235830307,0.7165718593653622,0.7533668014529504,0.4748732095127133
EOS-3-16869,Fc1ccnc(COc2cncc3nnc(-c4ccc(OCc5ccccc5F)nc4)n23)c1,HKQUSPGTYCTZTM-UHFFFAOYSA-N,3,1,0.529,1,71,446.417,4.018,5,0.373,0.79,1.0,0.7341340552395312,0.7455451990953328,0.8368771845658283,0.7852357617709547,0.7754480501679117
EOS-3-16871,Clc1cnnc(COc2cncc3nnc(-c4cccc(Oc5cccnc5)c4)n23)c1,IADMOKXDKITAMA-UHFFFAOYSA-N,3,1,0.495,4,534,431.843,4.001,5,0.397,0.71,1.0,0.5604139538071414,0.6166129806044822,0.5765626070865603,0.5887961757247618,0.5855964293057364
EOS-3-16872,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(CC5CC5)cn4)n23)cc1,VHTMQILACCZLSP-UHFFFAOYSA-N,3,1,0.354,63,437,411.469,3.093,6,0.524,0.82,1.0,0.1233465835103831,0.04795764512370639,0.019335549311219245,0.09387636214104585,0.07112903502158865
EOS-3-16873,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)cc1,QFSWSFXDFCWJGL-UHFFFAOYSA-N,3,1,0.324,30,289,417.436,3.496,6,0.433,0.76,0.997,0.017981975190185732,0.04430813515180591,0.34650640805976285,0.40039236515660337,0.20229722088958946
EOS-3-16874,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,FUBLSJRJQWUMBX-UHFFFAOYSA-N,3,1,0.562,2,419,443.898,4.227,5,0.388,0.75,1.0,0.8192293194434925,0.8419231032828456,0.6374391748338016,0.6219844424645329,0.7301440100061681
EOS-3-16875,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(-c5cncs5)n4)n23)cn1,QNLZXGWHWDBNBB-UHFFFAOYSA-N,3,1,0.361,82,514,448.899,3.385,5,0.448,0.61,0.93,0.1812846960455075,0.31379788910972517,0.17515077787677336,0.19006579398259202,0.21507478925364953
EOS-3-16876,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ncc(F)cn4)n23)c1,AEMUNCKDPPKTSV-UHFFFAOYSA-N,3,1,0.284,39,495,452.417,2.035,6,0.39,0.65,1.0,0.11247515591803166,0.15949900623672128,0.03974196422452197,0.07757350421492701,0.09732240764855049
EOS-3-16877,CC(O)(c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(C#N)c4)n23)cn1)C(F)F,ONTMYISMHFNYDC-UHFFFAOYSA-N,3,1,0.384,66,225,440.841,3.775,4,0.507,0.62,1.0,0.4890343362346652,0.6116869988348982,0.9861130148721815,0.9722174628195462,0.7647629531903227
EOS-3-16878,COc1ccc(COc2cncc3nnc(-c4cncc(-c5ncc(C)cn5)c4)n23)nc1,VIPIQDUSTFFAHH-UHFFFAOYSA-N,3,1,0.489,2,131,426.44,2.934,5,0.404,0.7,1.0,0.38038859570968403,0.23700397505311493,0.2619679939688849,0.14227948735521898,0.2554100130217257
EOS-3-16879,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)cc4F)n23)n1,VPOOPWKHPDELQO-UHFFFAOYSA-N,3,1,0.517,11,0,445.433,3.851,5,0.392,0.74,1.0,0.8956377218833528,0.8724898910287163,0.5793896922760606,0.5636008498389418,0.7277795387567678
EOS-3-16880,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cn1,HITCZCJDXKGSOK-UHFFFAOYSA-N,3,1,0.344,50,974,430.407,1.67,5,0.395,0.67,1.0,0.012987458022068398,0.12274689877321637,0.07301590021245974,0.046287094784456174,0.06375933794805018
EOS-3-16881,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)cc1,NOQWCKNTXIIDBZ-UHFFFAOYSA-N,3,1,0.295,8,890,422.416,1.624,6,0.416,0.68,1.0,0.013784182030018504,0.03111507093413748,0.021948461380302927,0.02839078884243712,0.023809625796724007
EOS-3-16882,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4)n23)nc1,ALTKCAQIOICVBZ-UHFFFAOYSA-N,3,1,0.527,87,307,430.859,3.313,5,0.404,0.66,1.0,0.7158094030566787,0.8419316702076622,0.43145603454184084,0.45744808443561097,0.6116612980604481
EOS-3-16883,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cc2F)n1,KXSITBVVCHKVOC-UHFFFAOYSA-N,3,1,0.321,98,866,453.445,2.583,6,0.4,0.63,1.0,0.20918717017339455,0.30867486806935784,0.21909053526146255,0.2509594955794668,0.2469780172709204
EOS-3-16884,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,ODEXFIMCZQGKEH-UHFFFAOYSA-N,3,1,0.299,38,7,420.44,3.039,6,0.466,0.67,1.0,0.14513227331916936,0.08781954629566172,0.25134500719621683,0.23061304913988076,0.17872746898773217
EOS-3-16885,Cn1c(-c2ccccn2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccc(F)cn3)n12,KJLORSTYLNOMHX-UHFFFAOYSA-N,3,1,0.304,94,892,451.429,2.64,6,0.398,0.67,0.916,0.11543931190459873,0.21665752861352888,0.06455177849359194,0.12681618806113357,0.13086620176821329
EOS-3-16886,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4cnc(F)cn4)n23)n1,MCGXBOWHWMCHPP-UHFFFAOYSA-N,3,1,0.283,99,892,452.417,2.035,6,0.39,0.64,0.61,0.12051949832088274,0.16337125625385512,0.07302446713727641,0.09999314646014666,0.11422709204304024
EOS-3-16887,OCc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccc4F)n23)nc1,IGRKUAVZXCOZSU-UHFFFAOYSA-N,3,1,0.418,46,348,447.405,2.993,5,0.423,0.66,1.0,0.7609142622164348,0.6302429579878007,0.7865036666438215,0.7243848947981633,0.7255114454115551
EOS-3-16888,CCOc1ncc(CCc2cncc3nnc(-c4ccc(C#N)nc4)n23)c(C(F)F)n1,QOBLWTJQRSXBCI-UHFFFAOYSA-N,3,1,0.374,68,455,422.399,2.969,4,0.446,0.68,1.0,0.5217171544102529,0.512559111781235,0.3653108080323487,0.27178568980878626,0.41784319100815576
EOS-3-16889,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(OC(F)F)c5)ns4)n23)nc1,RYAXUMWHTDSEMZ-UHFFFAOYSA-N,3,1,0.364,74,776,466.433,3.072,5,0.404,0.71,0.992,0.42492803783154,0.5125676787060517,0.35790041806593104,0.3333304776917278,0.40718165307381265
EOS-3-16890,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nc(Cl)cn5C)nc4)n23)cn1,MLUKEOLSMKWFCT-UHFFFAOYSA-N,3,1,0.566,55,283,432.875,3.523,5,0.419,0.68,1.0,0.5663165650058255,0.5725618531971763,0.33183983277362755,0.2927146871359057,0.4408582345281338
EOS-3-16892,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5C#N)cc4)n23)[nH]1,PZTIILZSPSSLFY-UHFFFAOYSA-N,3,1,0.308,25,791,445.45,2.911,6,0.437,0.65,1.0,0.1537934343088205,0.18860941676375848,0.2770115139469536,0.37211294633678293,0.24788182783907886
EOS-3-16893,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)nn2C)o1,UIKYPWXSLZRBCL-UHFFFAOYSA-N,3,1,0.489,95,998,453.865,3.902,5,0.384,0.75,1.0,0.4110838873278048,0.3430111027345624,0.44977211979987664,0.4758669727914468,0.4199335206634227
EOS-3-16894,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)nc5)ncn4)n23)cc1,DNLJQLYVEGPVQR-UHFFFAOYSA-N,3,1,0.511,89,675,420.436,3.402,5,0.425,0.74,1.0,0.6174097046124323,0.639777945308752,0.5920601740799123,0.4909875950928655,0.5850588547734905
EOS-3-16895,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1,PNGAYSRADAUORI-UHFFFAOYSA-N,3,1,0.325,64,885,446.449,4.511,6,0.393,0.78,1.0,0.27388458638886987,0.3620896443012816,0.6634997601261051,0.7325577410732643,0.5080079329723802
EOS-3-16896,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(C#N)c6)n5)n34)cc2)n1C,OLDBIPZYEXCUPJ-UHFFFAOYSA-N,3,1,0.322,98,39,458.489,3.62,6,0.396,0.67,1.0,0.06139915016105819,0.11306627373038174,0.40626927558083753,0.38171646905626755,0.24061279213213627
EOS-3-16897,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)n2)cc1,NOWFDEYRKMKNOS-UHFFFAOYSA-N,3,1,0.375,42,136,447.437,3.906,6,0.4,0.68,0.999,0.3504300596257967,0.46347063258172844,0.3915255979713522,0.4669059694332123,0.41808306490302244
EOS-3-16898,Fc1cnc(-c2nnc3cncc(Cc4ccc(-c5cnc(Cl)cn5)cc4)n23)nc1,VAUHYUBPTKDSGQ-UHFFFAOYSA-N,3,1,0.329,85,260,418.823,3.422,5,0.441,0.71,0.868,0.36191830580494827,0.29385408813652253,0.4603694057980947,0.5668819820437255,0.42075594544582273
EOS-3-16899,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)nn1,LBDGEQUZCZSVMZ-UHFFFAOYSA-N,3,1,0.321,30,93,442.486,4.681,6,0.391,0.79,1.0,0.09975327256527997,0.10680385168939757,0.4708381879240628,0.47308272222602976,0.28761950860119256
EOS-3-16900,Cc1nc(CCOc2cncc3nnc(-c4cccc(-c5ncn(C)n5)c4)n23)ccc1F,CFLGBCRWOXWPGZ-UHFFFAOYSA-N,3,1,0.516,15,931,430.447,3.051,5,0.408,0.69,1.0,0.542372010143239,0.5037951476937839,0.2655489685422521,0.21017236652731136,0.3804721232266466
EOS-3-16901,COc1ncc(C)nc1-c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ncn1,OSCLLJLOJWEJPZ-UHFFFAOYSA-N,3,1,0.375,85,357,453.466,2.045,5,0.408,0.64,1.0,0.2421184291686656,0.06696765129189226,0.0707627989856761,0.025520869028853404,0.10134243711877185
EOS-3-16902,Cc1cncc(-c2cnc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)nc2)n1,OEHIKYFSSQMLOV-UHFFFAOYSA-N,3,1,0.307,39,449,462.452,3.61,6,0.387,0.71,1.0,0.26072578987046807,0.26265334795421835,0.22254300596257967,0.2866493043657049,0.25814286203824277
EOS-3-16903,c1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)c1,OZKMMESEZWGMRH-UHFFFAOYSA-N,3,1,0.263,70,957,419.412,2.286,6,0.423,0.72,1.0,0.0038037146186005073,0.01759646357343568,0.08666301144541155,0.12890651771640052,0.059242426838462064
EOS-3-16904,Cc1ncc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,DUVSBQDFMCZLKO-UHFFFAOYSA-N,3,1,0.617,35,4,443.898,4.227,5,0.388,0.72,1.0,0.7341426221643479,0.8419402371324789,0.6436673291755192,0.6133489822493318,0.7082747926804195
EOS-3-16905,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)nc1,AMWSAXBFBVXYDM-UHFFFAOYSA-N,3,1,0.688,84,491,449.396,3.682,5,0.391,0.7,1.0,0.9114522650949215,0.8915598656706188,0.8171732574874923,0.8054794051127407,0.8564161983414433
EOS-3-16906,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ncn4)n23)cn1,YMZAPXAKSWWAIF-UHFFFAOYSA-N,3,1,0.434,7,354,444.39,1.25,5,0.404,0.64,1.0,0.4865242272633815,0.35257179082996365,0.11447124940031526,0.07758207113974368,0.257787334658351
EOS-3-16907,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nnc1Cl,VTKFJRIQKMUTEN-UHFFFAOYSA-N,3,1,0.512,4,300,434.822,3.41,5,0.414,0.64,1.0,0.8531457747926804,0.8203687204441094,0.5053971626345007,0.5308751970392708,0.6774467137276403
EOS-3-16908,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)cc2)nc1,SJUNVUQLHJJAIJ-UHFFFAOYSA-N,3,1,0.299,38,126,418.424,3.095,6,0.463,0.71,1.0,0.09736310054142965,0.13305290932766775,0.22985915975601398,0.2838821876499212,0.18603933931875816
EOS-3-16909,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)nn1,CRYVZBLLYXXTOX-UHFFFAOYSA-N,3,1,0.494,75,496,435.9,3.98,5,0.398,0.72,1.0,0.6228668357206497,0.6447467617024193,0.32083133438420947,0.3881330957439518,0.4941445068878076
EOS-3-16910,COc1ncc(F)cc1COc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,OFTIQEQMFARQLJ-UHFFFAOYSA-N,3,1,0.418,97,560,428.427,3.975,5,0.404,0.75,1.0,0.709744020286478,0.5538174216983072,0.595135700089096,0.5271657185936536,0.5964657151668837
EOS-3-16911,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cn5)n34)cn2)o1,RLNRZLYFOQENGP-UHFFFAOYSA-N,3,1,0.317,70,714,435.451,3.612,6,0.413,0.67,1.0,0.07876430676444383,0.08461551641422795,0.32447227743129325,0.25096806250428344,0.18470504077856212
EOS-3-16912,Cc1ncnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)n1,LSMVNOPOWRACKC-UHFFFAOYSA-N,3,1,0.57,35,509,428.431,3.107,5,0.406,0.68,1.0,0.9415650058255088,0.8940528407922692,0.3730381742169831,0.33333904461654446,0.6354987663628264
EOS-3-16913,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c(Cl)c1,NJJDPIQSYLUNJQ-UHFFFAOYSA-N,3,1,0.576,35,626,449.877,4.001,5,0.364,0.77,1.0,0.8989188540881365,0.8518521691453635,0.6906826125693921,0.6859022685216914,0.7818389760811459
EOS-3-16914,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)n5)cn4)n23)ccc1Cl,YTVXHDZNUDDYQQ-UHFFFAOYSA-N,3,1,0.483,92,212,433.863,2.918,5,0.416,0.66,1.0,0.45958124871496125,0.644755328627236,0.2805496538962374,0.2808409293400041,0.4164317901446096
EOS-3-16915,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nccn5C)cc4)n23)nc1,VSUIACXMKVTCFP-UHFFFAOYSA-N,3,1,0.263,86,495,446.478,3.414,6,0.405,0.68,1.0,0.0787728736892605,0.03112363785895415,0.10101261051333013,0.11077890480433143,0.08042200671646905
EOS-3-16916,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)cc1,LXZOTTLQJSYVJA-UHFFFAOYSA-N,3,1,0.506,19,207,431.406,3.543,5,0.406,0.7,1.0,0.8035861147282571,0.6988297580700432,0.7115002398738949,0.7559283119731341,0.7424611061613324
EOS-3-16917,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)c2)cn1,BOCAZWNJZJWIML-UHFFFAOYSA-N,3,1,0.53,15,460,426.484,3.22,5,0.411,0.74,1.0,0.2607343567952848,0.17589610033582345,0.16211191830580496,0.10624700157631417,0.17624734425330685
EOS-3-16918,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,ILVZHFKVXMMSRH-UHFFFAOYSA-N,3,1,0.321,69,498,436.41,4.104,6,0.406,0.7,1.0,0.27639469536015354,0.3328935645260777,0.54982523473374,0.6424422589267357,0.4503889383866767
EOS-3-16919,Cc1ccnc(-c2nccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)n1,OLCOZRCERIRGKF-UHFFFAOYSA-N,3,1,0.529,27,343,446.421,3.863,5,0.387,0.71,1.0,0.7669882119114523,0.7269035706942636,0.543014529504489,0.46691453635802893,0.6259552121170584
EOS-3-16920,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cn1,SZKBVMOZBDMMQV-UHFFFAOYSA-N,3,1,0.444,7,185,436.386,2.288,5,0.394,0.67,1.0,0.4742392570762799,0.43250119936947434,0.27702008087177027,0.20713110821739428,0.3477229113837297
EOS-3-16921,c1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)c5)n34)cn2)ccn1,MCCGLIFKZGQXDV-UHFFFAOYSA-N,3,1,0.291,86,790,418.424,2.891,6,0.429,0.72,1.0,0.000676787060516757,0.019215612363785894,0.30600198752655744,0.3115533548077582,0.15936193543965457
EOS-3-16922,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3nnc(-c4ccccc4)n3C)n12,DJWKIYYERNLGTK-UHFFFAOYSA-N,3,1,0.381,8,474,461.489,3.719,6,0.382,0.75,1.0,0.11544787882941539,0.044316702076622576,0.1497241450209033,0.15484716606127064,0.11608397299705298
EOS-3-16923,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nncnc4-c4cccc(F)c4)n23)cc1,MHLYEMMLNNFRFE-UHFFFAOYSA-N,3,1,0.349,3,498,465.427,4.046,6,0.384,0.74,0.959,0.2903930505105887,0.4004351997806867,0.5985282023164965,0.7243934617229799,0.503437478582688
EOS-3-16924,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)ccn2)nn1,MGWGMWLDRSTBJW-UHFFFAOYSA-N,3,1,0.712,19,73,427.443,3.712,5,0.408,0.73,1.0,0.7068655335480776,0.7177283942156124,0.5195668562812693,0.4879463367829484,0.608026780206977
EOS-3-16925,Cc1nc(CCOc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)ccc1F,QMQCPDOBYMYWBV-UHFFFAOYSA-N,3,1,0.506,15,846,427.443,3.712,5,0.408,0.73,1.0,0.77532382975807,0.7084589815639778,0.4947570420121993,0.4447005003084093,0.6058100884106642
EOS-3-16926,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)nn1,WDEMXAPDXWNBST-UHFFFAOYSA-N,3,1,0.565,7,486,431.847,2.974,5,0.413,0.64,1.0,0.44332979233774245,0.5354670687410047,0.2476869302994997,0.2779967103008704,0.37612012541977935
EOS-3-16927,Cc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)nc(C)n2)n1,OJXKJUAWDVZSFL-UHFFFAOYSA-N,3,1,0.317,74,155,437.467,2.729,5,0.453,0.59,1.0,0.10979370845041464,0.02130594201905284,0.12314954423959976,0.06162189020629155,0.0789677712288397
EOS-3-16928,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)cc1,GLNQHTSGDVKULG-UHFFFAOYSA-N,3,1,0.305,64,449,447.437,3.906,6,0.4,0.69,0.893,0.2421269960934823,0.33788808169419504,0.43919196765129187,0.5142724967445685,0.38336988554588447
EOS-3-16929,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4Cl)n23)cc1,SAVFNZLDQMINEF-UHFFFAOYSA-N,3,1,0.351,9,171,465.908,4.364,6,0.381,0.79,1.0,0.16189774518538824,0.25243300664793367,0.6255140154890001,0.665230278939072,0.42626876156534854
EOS-3-16931,Brc1ccc(CCOc2cncc3nnc(-c4cnc(-c5cn[nH]c5)nc4)n23)cn1,QXHNWTVHIUSSGV-UHFFFAOYSA-N,3,1,0.489,65,349,464.287,2.75,5,0.381,0.7,1.0,0.694477760263176,0.597483037488863,0.22255157288739635,0.20713967514221096,0.4304130114454116
EOS-3-16932,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)c1,DLHPXVGHCIUALI-UHFFFAOYSA-N,3,1,0.322,25,581,469.419,2.779,6,0.383,0.71,0.994,0.16190631211020493,0.30371461860050714,0.2880285792611884,0.44159927352477557,0.298812195874169
EOS-3-16933,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)s2)no1,KRPYAKVSSPUKHI-UHFFFAOYSA-N,3,1,0.315,98,882,441.48,3.674,6,0.407,0.67,1.0,0.06871530395449249,0.1192515934480159,0.07742786649304366,0.07759063806456035,0.0857463504900281
EOS-3-16934,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)o1,PLYWUSUWXSVXQQ-UHFFFAOYSA-N,3,1,0.6,16,32,419.832,3.777,5,0.424,0.77,1.0,0.8597765746007813,0.8549448290041807,0.4497806867246933,0.4730912891508464,0.6593983448701254
EOS-3-16935,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccc(F)c5)n4)n23)cc1,RPEKOGKAJNYAEM-UHFFFAOYSA-N,3,1,0.419,62,3,410.412,3.758,5,0.486,0.93,1.0,0.18129326297032416,0.2117315468439449,0.6745596600644232,0.662548831471455,0.43253332533753686
EOS-3-16936,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccsc5)n4)n23)cc1,JNAZMOZTKUTKBQ-UHFFFAOYSA-N,3,1,0.3,8,890,438.48,3.167,6,0.412,0.64,1.0,0.1481049962305531,0.10681241861421424,0.09142622164347886,0.10625556850113084,0.11314980124734425
EOS-3-16937,Fc1ccc(-c2ncnnc2-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)nc1,OVMAFXJMQJUQOL-UHFFFAOYSA-N,3,1,0.305,85,60,453.363,3.182,5,0.382,0.71,0.668,0.38489479816325134,0.3813309574395175,0.8014615173737235,0.7297135220341306,0.5743501987526558
EOS-3-16938,COCCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)nc1,STABWFMJFFMCEL-UHFFFAOYSA-N,3,1,0.357,63,505,424.852,1.597,4,0.351,0.74,0.996,0.19524878349667604,0.09086937153039545,0.07743643341786033,0.054211500239873894,0.10444152217120142
EOS-3-16939,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)on2)nn1,YXNMANZFSGGKCO-UHFFFAOYSA-N,3,1,0.267,99,286,438.415,1.797,6,0.396,0.66,1.0,0.07271605784387636,0.04796621204852306,0.01759646357343568,0.016174354053868824,0.03861327187992598
EOS-3-16940,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(Cl)nc1,MZCQAIQBBYUQKI-UHFFFAOYSA-N,3,1,0.467,95,493,432.875,3.257,5,0.38,0.76,1.0,0.4527705434857104,0.432509766294291,0.33184839969844426,0.36255225824138165,0.3949202419299568
EOS-3-16941,Fc1cc(-c2ncccc2F)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,VWKHDEXTUVVCGD-UHFFFAOYSA-N,3,1,0.421,18,324,432.394,2.938,5,0.377,0.7,0.996,0.6001816188061133,0.5125762456308683,0.4094733054622713,0.43817250359810844,0.49010091837434033
EOS-3-16942,Fc1cccc(-c2ccnc(-c3nnc4cncc(COc5ccc(Cl)cn5)n34)c2)c1,TXHAIFHOPQEFPI-UHFFFAOYSA-N,3,1,0.385,14,560,432.846,4.62,5,0.403,0.77,1.0,0.4840055513672812,0.588145089438695,0.8116133232814748,0.8512267836337468,0.6837476869302994
EOS-3-16943,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(OC(F)F)nc5)cs4)n23)cc1,FYPIHQNOVASLSL-UHFFFAOYSA-N,3,1,0.392,62,139,465.445,3.677,5,0.406,0.75,1.0,0.4225721335069563,0.45002056061956003,0.604987663628264,0.48795490370776506,0.4913838153656363
EOS-3-16944,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1nccn1C,PIIQMHXHCJULEX-UHFFFAOYSA-N,3,1,0.523,4,248,433.497,3.544,5,0.404,0.75,1.0,0.30872626961825783,0.19756185319717634,0.15567815776848742,0.07377835652114317,0.18393615927626616
EOS-3-16945,Fc1cncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,DHBDJQCDCPLBKJ-UHFFFAOYSA-N,3,1,0.25,86,953,437.402,2.63,6,0.441,0.61,0.972,0.2793759851963539,0.2831625659653211,0.19817010485915976,0.2570677129737509,0.2544440922486464
EOS-3-16946,Cc1cc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)ccc1-c1ccn(C)n1,ISNVSKQTCYQMHA-UHFFFAOYSA-N,3,1,0.353,14,476,449.44,4.505,5,0.404,0.76,1.0,0.33876190802549516,0.3576262764717977,0.9368617641011583,0.8302635186073607,0.6158783668014529
EOS-3-16947,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5c[nH]cn5)nc4)n23)nc1,RUGUQYPCTIHDHZ-UHFFFAOYSA-N,3,1,0.293,99,968,421.428,2.434,6,0.46,0.67,1.0,0.09040675759029539,0.06327530669590843,0.13147659516140087,0.13536597902816805,0.10513115961894318
EOS-3-16948,NC(=O)c1ccc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)ncn2)cc1,MNCUBIYYHGOUCY-UHFFFAOYSA-N,3,1,0.315,52,582,477.488,2.301,6,0.378,0.8,0.704,0.169976355287506,0.044325269001439245,0.07303303406209308,0.06817558769104243,0.08887756151052019
EOS-3-16949,CCOc1c(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4)n23)ccc(F)c1F,ZGDGVRDBDPVWIJ-UHFFFAOYSA-N,3,1,0.384,68,364,436.344,3.868,4,0.442,0.65,0.934,0.6733345898156398,0.7498372284284833,0.9438523747515591,0.8545593173874306,0.8053958775957782
EOS-3-16950,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)c2)nn1,MHLLSQANPIDOFH-UHFFFAOYSA-N,3,1,0.278,98,890,436.443,1.839,6,0.406,0.64,1.0,0.01884723459666918,0.017605030498252346,0.08667157837022822,0.0880851209649784,0.05280224110753204
EOS-3-16951,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ccc2F)ncn1,CBKBEDZHCKDTNT-UHFFFAOYSA-N,3,1,0.528,97,55,431.406,3.809,5,0.391,0.73,1.0,0.9335806318963745,0.7840792269207045,0.8093944897539579,0.7456480021931328,0.8181755876910425
EOS-3-16952,FC(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cn4)n23)cc1C(F)(F)F,AWEJLPMONHXKIC-UHFFFAOYSA-N,3,1,0.306,66,542,459.342,3.99,5,0.405,0.73,1.0,0.40231992324035365,0.485093550818998,0.9827290795695977,0.9597268864368447,0.7074673600164485
EOS-3-16953,Cc1ccc(-c2nnc3cncc(Cc4cnc(F)c(-c5ccc(F)c(C#N)c5)n4)n23)nc1,JZZICQAABKEJOU-UHFFFAOYSA-N,3,1,0.36,85,81,440.417,3.692,5,0.42,0.65,0.998,0.3709821122609828,0.39066033856486876,0.6988640257693098,0.7053149201562607,0.5414553491878555
EOS-3-16954,COc1cc(-c2nnc3cncc(-c4nncnc4-c4ccc(Cl)cc4)n23)ccc1Cl,HEWBRIMBAHXASL-UHFFFAOYSA-N,3,1,0.37,45,730,450.289,4.626,5,0.394,0.77,1.0,0.4840141182920979,0.5881536563635118,0.74982009457885,0.8342642724967446,0.6640630354328011
EOS-3-16955,COC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4cccc(F)c4)n23)cc1,WAQXHURVDOEUHB-UHFFFAOYSA-N,3,1,0.368,62,3,431.452,4.508,5,0.39,0.85,1.0,0.26616578712905214,0.3906689054896854,0.569786169556576,0.5207233911315194,0.43683606332670827
EOS-3-16956,COC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1,XRVPPIUGMLOCSP-UHFFFAOYSA-N,3,1,0.59,48,17,412.808,3.949,4,0.462,0.87,1.0,0.9750017133849633,0.8940614077170859,0.8704423959975327,0.8011188403810569,0.8851560893701598
EOS-3-16957,Cn1c(C#N)ccc1-c1ccc(-c2nnc3cncc(-c4cc(-n5ccnc5)cnn4)n23)cc1,XGUROFYUUDCOAM-UHFFFAOYSA-N,3,1,0.28,98,63,444.462,3.311,6,0.41,0.67,1.0,0.06483448701254198,0.05927455280652457,0.6169385237475156,0.570145980398876,0.3277983859913645
EOS-3-16958,Fc1cc(F)cc(-c2noc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)c1,OLIXNJJITJKPNA-UHFFFAOYSA-N,3,1,0.426,45,730,428.761,4.579,5,0.418,0.79,1.0,0.3980792954561031,0.6643650195325885,0.8964001781920362,0.94950654513056,0.727087759577822
EOS-3-16959,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,GJZNMAGWLKXEOR-UHFFFAOYSA-N,3,1,0.359,9,867,447.437,3.906,6,0.4,0.66,1.0,0.3504386265506134,0.41908539510657256,0.6374477417586183,0.6424508258515523,0.5123556473168391
EOS-3-16960,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc[nH]5)nn4)n23)cc1,JDRQJPAZIAFBHF-UHFFFAOYSA-N,3,1,0.275,98,63,422.416,1.829,6,0.45,0.64,0.997,0.027474127887053664,0.03719758755397163,0.09592385717222945,0.11328901377561511,0.06847114659721747
EOS-3-16961,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)cn1,PXSXXCBERASSLZ-UHFFFAOYSA-N,3,1,0.576,35,426,427.443,3.712,5,0.408,0.7,1.0,0.9346343636488246,0.8832328147488178,0.5825680213830443,0.5238074840655198,0.7310606709615516
EOS-3-16962,N#Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4OC(F)F)n23)cn1,DQUHIKURWDHUCE-UHFFFAOYSA-N,3,1,0.34,50,478,444.365,2.573,5,0.397,0.67,0.999,0.45958981563977797,0.46765129189226234,0.7039870468096772,0.6454064149133028,0.5691586423137551
EOS-3-16963,Cc1ncc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)cn1,HCPBVGJBCINGDE-UHFFFAOYSA-N,3,1,0.547,75,583,428.431,3.107,5,0.406,0.69,0.999,0.9003152628332534,0.7498457953533,0.35047289424988004,0.30534233431567404,0.5764940716880269
EOS-3-16964,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)c2)cn1,MABXZROKBJOECQ-UHFFFAOYSA-N,3,1,0.376,53,602,430.407,1.897,5,0.394,0.67,0.995,0.5164484956480022,0.47190905352614626,0.11756390925913235,0.10846583510383113,0.303596823384278
EOS-3-16965,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c1-c1ccccc1,BPWTYNMVJCNPLW-UHFFFAOYSA-N,3,1,0.394,9,553,420.436,3.909,6,0.426,0.77,1.0,0.09976183949009663,0.07421526968679323,0.35790898499074775,0.3817250359810842,0.22840278253718044
EOS-3-16966,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)cn5)n34)nc2)nn1,CZBZXTYYWPKQCY-UHFFFAOYSA-N,3,1,0.253,99,813,436.443,1.839,6,0.406,0.63,0.954,0.02748269481187033,0.014589472962785278,0.077445000342677,0.06306970050030841,0.04564671715441025
EOS-3-16967,Fc1cnc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)n2)nc1,MPJATYVTKBDXIF-UHFFFAOYSA-N,3,1,0.301,39,527,438.39,1.82,6,0.4,0.64,1.0,0.022959358508669727,0.09401343293811254,0.014058323624151874,0.03634946199712151,0.04184514426701391
EOS-3-16968,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cc(C)nn5C)c(C)n4)n23)n(C)n1,DNJIVNLZQLJJBV-UHFFFAOYSA-N,3,1,0.385,31,662,429.488,2.825,5,0.423,0.68,0.997,0.2552172572133507,0.15950757316153794,0.06260708656020834,0.02130594201905284,0.12465946473853745
EOS-3-16969,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(C#N)nc5)n4)n23)cc1,VPXHAXUTYVNMSN-UHFFFAOYSA-N,3,1,0.299,8,890,458.449,2.372,6,0.385,0.63,1.0,0.13724213556301829,0.11926016037283257,0.19119662805839216,0.21018093345212802,0.16446996436159275
EOS-3-16970,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,OCBPLMOQVVNMGY-UHFFFAOYSA-N,3,1,0.289,42,174,436.41,4.104,6,0.406,0.71,1.0,0.2904016174354054,0.31904941402234255,0.655018504557604,0.6652388458638887,0.48242709546981016
EOS-3-16971,OCCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)c1,LNFRDHSOJLLSNY-UHFFFAOYSA-N,3,1,0.433,46,211,432.419,2.155,5,0.416,0.71,0.865,0.31893804399972586,0.15577239394147077,0.3579175519155644,0.3269909533273936,0.28990473579603865
EOS-3-16972,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5cc(CO)ccn5)c4)n23)c(C)n1,LVKKXMYGNPRSKQ-UHFFFAOYSA-N,3,1,0.494,24,912,439.479,3.331,5,0.429,0.71,1.0,0.4666232609142622,0.262661914879035,0.45349873209512714,0.29578164622027275,0.36964138852717426
EOS-3-16973,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,PCBYSDOEDURXQJ-UHFFFAOYSA-N,3,1,0.366,8,934,465.908,4.364,6,0.381,0.82,1.0,0.05432287026249057,0.21174011376876156,0.32798471660612705,0.4879634706325817,0.27050279281749023
EOS-3-16974,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccc(Cl)n6)cc5)n34)cn2)cn1,HDNMQAYTIULKRU-UHFFFAOYSA-N,3,1,0.302,42,150,454.885,3.488,6,0.375,0.7,1.0,0.017099581934068946,0.11593619354396546,0.40948187238708794,0.4193938043999726,0.24047786306627372
EOS-3-16975,N#CCc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cc1,XMONWYITPDLLTH-UHFFFAOYSA-N,3,1,0.416,20,658,435.451,2.726,5,0.379,0.68,1.0,0.5634466451922417,0.43251833321910765,0.3690631211020492,0.3526060585292303,0.4294085395106572
EOS-3-16976,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,CVNRPBAXFDHZBZ-UHFFFAOYSA-N,3,1,0.333,69,152,446.449,4.511,6,0.393,0.74,1.0,0.32914125145637724,0.4144592557055719,0.7635700089096018,0.7808066616407374,0.571994294428072
EOS-3-16977,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccccn5)n34)c(Cl)nn2)n(C)n1,IQPQAGNFCBTIKF-UHFFFAOYSA-N,3,1,0.467,53,587,433.863,2.918,5,0.416,0.67,1.0,0.3894524021657186,0.4144678226303886,0.1344493180727846,0.14468679322870262,0.2707640840243986
EOS-3-16978,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)c1,GWDVBMNWHNCJHW-UHFFFAOYSA-N,3,1,0.58,35,559,433.422,3.487,5,0.408,0.67,1.0,0.6914707696525255,0.5679614145706258,0.6436758961003358,0.6101106846686314,0.6283046912480296
EOS-3-16979,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)n2)nn1,KXODWUQBCPSLTK-UHFFFAOYSA-N,3,1,0.276,10,880,454.845,2.334,6,0.39,0.65,0.228,0.016157220204235486,0.07764203961346035,0.03691487903502159,0.1062641354259475,0.05924456856966623
EOS-3-16980,Cc1cncc(COc2cncc3nnc(-c4cc(-c5cccc(F)c5)ccn4)n23)c1F,BMKYREORGOWQFT-UHFFFAOYSA-N,3,1,0.455,97,153,430.418,4.414,5,0.411,0.77,1.0,0.7282400109656638,0.5974916044136797,0.8620382427523816,0.8512353505585635,0.7597513021725721
EOS-3-16981,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)c(F)c4F)n23)cc1,VBPOZFOSYXDVHG-UHFFFAOYSA-N,3,1,0.34,61,341,458.432,3.414,6,0.417,0.71,1.0,0.2821516688369543,0.23201802480981426,0.4637876087999452,0.5308837639640874,0.3772102666027003
EOS-3-16982,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)nc4)n23)cc1F,UBMGMWHFUYLQMD-UHFFFAOYSA-N,3,1,0.287,39,972,467.428,2.638,6,0.401,0.67,0.983,0.3619268727297649,0.3430196696593791,0.25135357412103354,0.25097662942910015,0.3018191864848194
EOS-3-16983,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccncn5)n34)c2)nn1,JFEFZGPEFGYRIL-UHFFFAOYSA-N,3,1,0.457,87,838,431.847,2.708,5,0.4,0.66,1.0,0.5918203001850456,0.6447638955520526,0.26555753546706873,0.29272325406072236,0.4487162463162223
EOS-3-16984,Clc1ccc(CCOc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nn1,ZAGCJVYWFTUYHJ-UHFFFAOYSA-N,3,1,0.454,58,602,431.847,2.708,5,0.4,0.66,0.999,0.5449934891371393,0.5975001713384963,0.12022822287711603,0.1792115002398739,0.3604833458981564
EOS-3-16985,Fc1ccc(-c2ncc(-c3nnc4cncc(Cc5ccc(-c6cncnn6)nc5)n34)cn2)nc1,KASFXEZQASRSOL-UHFFFAOYSA-N,3,1,0.287,86,377,463.44,2.62,6,0.375,0.67,1.0,0.3035604139538071,0.24241827153724899,0.2335772051264478,0.25998903433623466,0.2598862312384347
EOS-3-16986,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncnn6)nn5)n34)nc2)nc1,MECVPIQKNFYAHT-UHFFFAOYSA-N,3,1,0.284,99,312,438.39,1.82,6,0.4,0.65,0.999,0.004968816393667329,0.08782811322047837,0.14973271194571997,0.2132992940853951,0.1139572339113152
EOS-3-16987,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)cn2)cn1,DHDKRKXQXTXANL-UHFFFAOYSA-N,3,1,0.342,38,167,449.453,3.85,6,0.403,0.68,1.0,0.18688746487560826,0.28317113289013773,0.5765711740113769,0.5636094167637585,0.4025597971352204
EOS-3-16988,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)c2)cn1,OUHDUNKTADRIFC-UHFFFAOYSA-N,3,1,0.337,10,714,449.453,3.85,6,0.403,0.68,1.0,0.08769960934822836,0.22733191693509697,0.6198855458844493,0.6336011925159345,0.3921295661709273
EOS-3-16989,N#Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)cn1,FNESNWMZBOPPNU-UHFFFAOYSA-N,3,1,0.369,55,412,427.815,3.356,5,0.396,0.7,1.0,0.6824754985950243,0.8580203550133644,0.5697947364813927,0.5538773901720239,0.6660419950654514
EOS-3-16990,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6(C)CC6)cc5)n34)nc2)n(C)n1,QXTCKYDAQHCFDG-UHFFFAOYSA-N,3,1,0.317,52,582,464.533,3.845,6,0.424,0.77,1.0,0.10980227537523131,0.08119731341237749,0.1010211774381468,0.1107874717291481,0.10070205948872593
EOS-3-16991,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,GDOZGERKWNRZPQ-UHFFFAOYSA-N,3,1,0.311,38,57,430.475,4.316,6,0.414,0.76,1.0,0.059565828250291275,0.07059146048934274,0.5261976560893702,0.5004797477897334,0.2892086731546844
EOS-3-16992,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5Cl)n4)n23)nc1,SWTMNQAVCGEFMK-UHFFFAOYSA-N,3,1,0.28,10,871,454.885,3.488,6,0.401,0.68,0.678,0.017108148858885616,0.14052326776780208,0.2619765608937016,0.35261462545404704,0.1930556507436091
EOS-3-16993,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)nc1,CNBBLFZBQJOGAM-UHFFFAOYSA-N,3,1,0.654,84,73,430.418,4.148,5,0.403,0.75,1.0,0.8343328078952779,0.7883369885545884,0.8334675484887945,0.8342728394215613,0.8226025460900555
EOS-3-16994,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(F)c5)c4)n23)nc1,PSEPGCFQFXCKAR-UHFFFAOYSA-N,3,1,0.38,46,348,456.441,2.721,5,0.387,0.66,0.999,0.5604225207319581,0.3138064560345418,0.42431978616955657,0.29579021314508946,0.39858474402028643
EOS-3-16995,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)nc1,KBDDNGWFHPOCPM-UHFFFAOYSA-N,3,1,0.323,10,952,437.402,2.425,6,0.409,0.64,1.0,0.033530943732437805,0.16337982317867178,0.09850250154204647,0.16554725515728874,0.1152401309026112
EOS-3-16996,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)c(Cl)c4)n23)cn1,XHTCZMZSILBMEY-UHFFFAOYSA-N,3,1,0.565,65,353,446.902,3.565,5,0.393,0.69,1.0,0.7725053114933863,0.767150983482969,0.34261702419299567,0.32063429511342606,0.5507269035706943
EOS-3-16997,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)nc2)n1C,CQNPOGCEMDVUMR-UHFFFAOYSA-N,3,1,0.333,98,765,467.472,2.892,6,0.388,0.68,1.0,0.217428551847029,0.31381502295935854,0.1202367898019327,0.13776471797683504,0.19731127064628884
EOS-3-16998,COc1cc(-c2nnc3cncc(OCc4cccc(C)n4)n23)ccc1-c1nccn1C,GWVHTBGEBBPNEN-UHFFFAOYSA-N,3,1,0.522,4,248,427.468,3.483,5,0.41,0.73,1.0,0.3596138030292646,0.12633644027140017,0.34651497498457956,0.18206428620382428,0.25363237612226713
EOS-3-16999,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1F,FVYYWILTEKKXEL-UHFFFAOYSA-N,3,1,0.524,16,610,436.838,3.353,5,0.417,0.65,1.0,0.7036015351929271,0.6988383249948599,0.5889075457473785,0.6161246658899322,0.6518680179562744
EOS-3-17000,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cn2)nc1,RKYGCJRFXYCYMH-UHFFFAOYSA-N,3,1,0.298,32,368,429.447,3.767,6,0.417,0.68,1.0,0.10738640257693098,0.12275546569803303,0.36907168802686585,0.3786238091974505,0.24445934137482012
EOS-3-17001,COc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cccnc3OCCO)n12,FWMMEGPEIAMPHA-UHFFFAOYSA-N,3,1,0.306,63,66,447.455,1.52,5,0.412,0.73,1.0,0.2579929408539511,0.03113220478377082,0.01934411623603591,0.011642450825851552,0.08002792817490234
EOS-3-17002,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccccc4F)n23)c(Cl)cn1,VXGJPAZVNMFHEY-UHFFFAOYSA-N,3,1,0.506,16,446,436.838,3.353,5,0.417,0.66,1.0,0.6144712494003153,0.7177369611404291,0.48129840312521416,0.5572784593242409,0.5926962682475498
EOS-3-17003,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5F)nc4)n23)cn1,ZEIHHBBGDGWBQU-UHFFFAOYSA-N,3,1,0.31,86,780,451.429,2.64,6,0.372,0.68,0.999,0.19814440408470976,0.24242683846206567,0.17515934480159,0.19545438969227605,0.20279624426016035
EOS-3-17004,FC(F)n1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cn1,PBZWINIPGOVTSR-UHFFFAOYSA-N,3,1,0.277,76,14,458.396,2.687,6,0.413,0.65,0.391,0.16732060859433898,0.20687410047289426,0.26917277773970255,0.26627715715166883,0.22741116098965114
EOS-3-17005,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)nn2C)c1,KEGACYFXMOYKNN-UHFFFAOYSA-N,3,1,0.424,95,998,433.422,3.752,5,0.42,0.74,0.995,0.43161023918854086,0.3766448495648002,0.6609296826811047,0.6454149818381194,0.5286499383181413
EOS-3-17006,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)n1,SIRXYJUHZAQJRF-UHFFFAOYSA-N,3,1,0.444,18,324,431.847,2.708,5,0.374,0.7,1.0,0.6144798163251319,0.7036615036666438,0.19120519498320881,0.20714824206702762,0.42912368926050304
EOS-3-17007,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nc5)n34)cn2)n1,LCNIKLNRFRIYIM-UHFFFAOYSA-N,3,1,0.312,86,790,448.425,3.301,6,0.374,0.68,1.0,0.2985401960112398,0.32832739359879376,0.3318569666232609,0.3526231923788637,0.3278369371530395
EOS-3-17008,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncccn1,VNCPAGYZICEFSF-UHFFFAOYSA-N,3,1,0.571,35,325,447.861,4.057,5,0.387,0.7,1.0,0.9657323007333287,0.9616715783702282,0.6852083476115414,0.7164262216434789,0.8322596120896444
EOS-3-17009,OCc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cn1,GYSJFRFMSYBJSZ-UHFFFAOYSA-N,3,1,0.588,87,73,425.452,2.757,5,0.424,0.7,1.0,0.42493660475635664,0.34302823658419573,0.38799602494688507,0.33664587759577824,0.37315168597080395
EOS-3-17010,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(F)c1,OXVVMWFZXGEGRN-UHFFFAOYSA-N,3,1,0.489,37,482,451.853,2.791,5,0.387,0.65,1.0,0.7068741004728942,0.7084675484887945,0.26198512781851824,0.32064286203824277,0.4994924097046124
EOS-3-17011,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nn2)cn1,MVMNIGOJYAEAPA-UHFFFAOYSA-N,3,1,0.338,98,63,422.412,2.699,6,0.421,0.68,1.0,0.12052806524569941,0.0742238366116099,0.20867315468439449,0.19296141457062574,0.1490966177780824
EOS-3-17012,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)nc2)n1,SEMQPSLPXDYCLI-UHFFFAOYSA-N,3,1,0.296,10,871,449.453,3.944,6,0.402,0.7,0.268,0.010571585223768077,0.1296775409499006,0.3769703927078336,0.41940237132478925,0.23415547255157287
EOS-3-17013,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)n1,MXRXCKCIFAIVGR-UHFFFAOYSA-N,3,1,0.299,10,748,437.402,2.425,6,0.409,0.63,0.942,0.019849564800219315,0.11926872729764923,0.060610993077924745,0.1655558220821054,0.09132127681447468
EOS-3-17014,Cn1c(C#N)ccc1-c1cc(C#N)nc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,LVIDVXODYHJIFZ-UHFFFAOYSA-N,3,1,0.426,49,501,447.462,2.952,5,0.388,0.68,1.0,0.5604310876567747,0.21666609553834557,0.5793982592008773,0.4940459872524159,0.4626353574121034
EOS-3-17015,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cc(F)c(F)s5)c4)n23)cn1,VVMUZDNCLIFYLX-UHFFFAOYSA-N,3,1,0.411,85,290,449.446,3.278,5,0.441,0.6,0.965,0.2502912754437667,0.26787060516756905,0.46379617572476184,0.4321927900760743,0.353537711603043
EOS-3-17016,COc1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1cncn1C,LOIUCOUVGQMPEE-UHFFFAOYSA-N,3,1,0.442,36,662,430.472,2.821,5,0.409,0.68,1.0,0.30616475909807417,0.1595161400863546,0.24769549722431636,0.10847440202864779,0.20546269960934824
EOS-3-17017,Cc1cc(-c2nnc3cncc(OCc4ncnc(-c5cccnn5)n4)n23)ccc1Cl,VEVWIIUBQFSXJQ-UHFFFAOYSA-N,3,1,0.457,36,839,431.847,2.974,5,0.413,0.68,1.0,0.6672263724213556,0.8279590158316771,0.20868172160921117,0.2599976012610513,0.49096617778082374
EOS-3-17018,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)s4)n23)cn1,PLBGTBLGZSMBRB-UHFFFAOYSA-N,3,1,0.333,63,66,481.488,2.898,6,0.47,0.75,0.765,0.18411178123500788,0.22734048385991365,0.017605030498252346,0.061630457131108214,0.12267193818107051
EOS-3-17019,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)c(F)c1,KALQPJYIQKSTEY-UHFFFAOYSA-N,3,1,0.536,43,402,416.42,3.008,5,0.435,0.8,1.0,0.5918288671098623,0.6116955657597148,0.4026540333082037,0.40656911794942086,0.5031868960318004
EOS-3-17020,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4cnc(-c5ccc(Cl)nn5)nc4)n23)cn1,NTWKSOJGCCIXMS-UHFFFAOYSA-N,3,1,0.295,10,151,470.859,3.684,6,0.383,0.74,0.94,0.032185936536220955,0.18861798368857516,0.42037043382907274,0.5407357275032554,0.29547752038928105
EOS-3-17021,COc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ncc(F)cn1,PXMHSRRKBBBZHI-UHFFFAOYSA-N,3,1,0.576,35,509,443.442,3.413,5,0.377,0.69,1.0,0.9114608320197382,0.7755294359536701,0.4813069700500308,0.37528270851895,0.6358949866355973
EOS-3-17022,Cn1cc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,YZRFJWNBXCKYNI-UHFFFAOYSA-N,3,1,0.461,36,208,453.293,3.868,5,0.399,0.73,1.0,0.48402268521691455,0.6397865122335686,0.6169470906723322,0.6652474127887054,0.6015009252278802
EOS-3-17023,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)nn2C)nc1,JIHBXYSXRVBYPF-UHFFFAOYSA-N,3,1,0.595,95,493,430.447,3.051,5,0.408,0.7,1.0,0.4295798780069906,0.2938626550613392,0.20525495168254404,0.21330786101021176,0.2855013364402714
EOS-3-17024,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)n1,IVYZMHDXKUNJIC-UHFFFAOYSA-N,3,1,0.495,44,531,445.433,3.851,5,0.392,0.7,1.0,0.8461208964430128,0.6936724693304092,0.6049962305530807,0.6191744911246659,0.6909910218627922
EOS-3-17025,c1cc(-c2cncnc2)nc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,YHZPEMOAEQSHKS-UHFFFAOYSA-N,3,1,0.333,94,983,429.447,3.767,6,0.417,0.69,1.0,0.09737166746624631,0.1192772942224659,0.467531354944829,0.4605064765951614,0.28617169830717565
EOS-3-17026,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nc2)n1,GDOUEJJRBHCEOT-UHFFFAOYSA-N,3,1,0.341,94,515,449.453,3.85,6,0.403,0.69,0.999,0.18412034815982456,0.3086834349941745,0.5162942910013022,0.5342848331163046,0.38584572681790147
EOS-3-17027,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6C)cn5)n34)cc2)nn1,CHDYEALPVOWEEY-UHFFFAOYSA-N,3,1,0.278,30,339,457.501,4.384,6,0.384,0.76,1.0,0.08521520115139469,0.05928311973134124,0.3465235419093962,0.34946199712151327,0.21012096497841135
EOS-3-17028,Cn1nccc1-c1cnnc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,SRJPAIFPNHKXSM-UHFFFAOYSA-N,3,1,0.394,53,602,434.851,2.047,5,0.395,0.64,0.998,0.37344081968336645,0.3378966486190117,0.09143478856829552,0.11788088547734905,0.2301632855870057
EOS-3-17029,Cc1nn(C)cc1COc1cncc2nnc(-c3ccc(-c4nccs4)cc3F)n12,DLJOTKXNQLBZCE-UHFFFAOYSA-N,3,1,0.471,16,677,421.461,3.675,5,0.431,0.75,1.0,0.34821122609827976,0.4944914673428826,0.3426255911178123,0.292731820985539,0.36951502638612843
EOS-3-17030,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)ccc2F)cn1,STWRYMWKINYKHR-UHFFFAOYSA-N,3,1,0.534,4,253,447.405,2.993,5,0.423,0.69,1.0,0.7669967788362689,0.7713316427935029,0.7244277294222465,0.6944606264135426,0.7393041943663903
EOS-3-17031,Cn1nc(Cl)c(Cl)c1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,GOVHBPYAHHYGIK-UHFFFAOYSA-N,3,1,0.592,90,255,427.654,4.203,4,0.488,0.66,1.0,0.670516071550956,0.8454098416832294,0.830100747035844,0.9213984648070729,0.8168562812692756
EOS-3-17032,Fc1cccnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)nc1,KFJFCHVOSLTXJU-UHFFFAOYSA-N,3,1,0.31,32,20,446.449,4.511,6,0.393,0.77,0.82,0.2502998423685834,0.30869200191899115,0.5629497635528751,0.639546638338702,0.4403720615447879
EOS-3-17033,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)cn2)cnn1,UCQQVYNPLSQAEU-UHFFFAOYSA-N,3,1,0.323,32,392,443.474,4.076,6,0.401,0.7,1.0,0.11814646014666576,0.1130748406551984,0.39539784798848604,0.37863237612226713,0.2513128812281543
EOS-3-17034,Fc1cc(-c2cc[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,JAWBOAYOVMEZAY-UHFFFAOYSA-N,3,1,0.321,9,834,423.415,3.773,6,0.446,0.69,1.0,0.3315314234802275,0.38133952436433416,0.6687255842642725,0.6770954698101569,0.5146730004797477
EOS-3-17035,Fc1cc(-c2cc(Cl)ncn2)cc(-c2nnc3cncc(OCc4cncnn4)n23)c1,KUGQDYIOTHZBMS-UHFFFAOYSA-N,3,1,0.489,4,486,435.81,2.805,5,0.384,0.67,1.0,0.5745151120553766,0.6302515249126174,0.5163028579261189,0.5636179836885752,0.571171869645672
EOS-3-17036,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnco5)nc4)n23)cc1,ICYKWLJRXLTALM-UHFFFAOYSA-N,3,1,0.407,14,357,411.425,2.792,5,0.473,0.8,1.0,0.25522582413816736,0.07423240353642656,0.3244808443561099,0.19820437255842643,0.21303586114728257
EOS-3-17037,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccsc6)n5)n34)cn2)cc1,RCCFPJKZIKXTMN-UHFFFAOYSA-N,3,1,0.324,30,945,434.488,4.434,6,0.405,0.77,0.99,0.09503289699129601,0.1296861078747173,0.31331814131999175,0.4004009320814201,0.23460951956685627
EOS-3-17038,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccn(-c6ccccc6)n5)n34)cc2)n1C,VUYDLTAJYVLJDS-UHFFFAOYSA-N,3,1,0.32,3,553,432.491,4.353,6,0.414,0.75,1.0,0.028639229662120486,0.031140771708587485,0.36162703036118155,0.3461551641422795,0.19189054896854224
EOS-3-17039,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)ccn1,QJYJUGHJWJZFNY-UHFFFAOYSA-N,3,1,0.333,32,957,446.449,4.511,6,0.368,0.82,1.0,0.22275717908299636,0.34783428140634637,0.7296706874100473,0.7379120690836817,0.5095435542457679
EOS-3-17040,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,ALXJSEBHKLBQLD-UHFFFAOYSA-N,3,1,0.473,55,456,448.874,3.223,5,0.39,0.7,0.996,0.5604396545815914,0.44569426358714276,0.34653210883421287,0.28084949626482075,0.4083788808169419
EOS-3-17041,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3ncnc(-c4nnco4)n3)n12,URBZHSHQYDFABG-UHFFFAOYSA-N,3,1,0.351,98,507,429.335,1.882,6,0.401,0.64,0.967,0.33644883832499484,0.3952607771914194,0.0665050373517922,0.09792851757932973,0.22403579261188403
EOS-3-17042,N#Cc1cc(-c2cncc(C#N)n2)cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c1,CFOVALOIXSGXPC-UHFFFAOYSA-N,3,1,0.495,16,214,449.409,3.105,5,0.37,0.7,1.0,0.7951733945582894,0.6988468919196765,0.8205914604893427,0.7687786991981358,0.7708476115413612
EOS-3-17043,Cc1nccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)nc1,WHLGYNHOQFQEDM-UHFFFAOYSA-N,3,1,0.333,70,191,432.447,4.274,6,0.406,0.74,0.978,0.14811356315536975,0.05929168665615791,0.33904461654444523,0.3146374477417586,0.21527182852443288
EOS-3-17044,Fc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,QGVDTYNJYSZWMO-UHFFFAOYSA-N,3,1,0.511,72,132,447.861,4.057,5,0.387,0.71,1.0,0.7839592899732712,0.8611901171955315,0.6407460078130355,0.7138818449729285,0.7499443149886917
EOS-3-17045,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)n[nH]1,DCIIWNAAHYUKEY-UHFFFAOYSA-N,3,1,0.575,91,742,433.422,3.785,5,0.438,0.73,1.0,0.8461294633678295,0.7269121376190802,0.679879720375574,0.648130697005003,0.7252630045918718
EOS-3-17046,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5cncnc5-c5cccnn5)n34)nc2)nc1,SGENAAOCYMYBBH-UHFFFAOYSA-N,3,1,0.253,86,459,450.401,2.091,6,0.389,0.63,0.955,0.2714687135905695,0.24755842642724968,0.0794667945994106,0.11329758070043178,0.17794787882941543
EOS-3-17047,OCc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,QABJXBYWWNEMQC-UHFFFAOYSA-N,3,1,0.557,35,393,443.442,2.896,5,0.409,0.68,1.0,0.5552395312178741,0.5308323624151875,0.5889161126721952,0.5271742855184703,0.5505405729559317
EOS-3-17048,OCc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)cnn4)n23)n1,UIQQYSRVQMIHOF-UHFFFAOYSA-N,3,1,0.404,54,207,448.393,2.388,5,0.417,0.68,0.991,0.5014563772188335,0.4809300253580975,0.5296415598656706,0.5342934000411212,0.5115803406209307
EOS-3-17049,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)cc1F,YOWXNMDSFXNUAK-UHFFFAOYSA-N,3,1,0.279,30,298,448.465,4.549,6,0.393,0.76,0.613,0.007950106229867727,0.14790795695976972,0.5765797409361936,0.6219930093893496,0.3386077033787952
EOS-3-17050,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cn1,SLXBCBZNFRRXPV-UHFFFAOYSA-N,3,1,0.272,99,952,422.416,1.624,6,0.416,0.7,0.814,0.02177712288396957,0.031149338633404154,0.017613597423069016,0.02131450894386951,0.02296364197107806
EOS-3-17051,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(C#N)cn5)c4)n23)cn1,FJZNFYRTBRYBIN-UHFFFAOYSA-N,3,1,0.529,24,805,420.436,3.402,5,0.425,0.78,1.0,0.6672349393461723,0.6166215475292989,0.5951442670139127,0.49405455417723254,0.5932638270166541
EOS-3-17052,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)o4)n23)cc1,RVRSHIVARWDDSP-UHFFFAOYSA-N,3,1,0.382,9,641,420.436,3.909,6,0.426,0.79,1.0,0.15658625179905422,0.09402199986292921,0.254874580220684,0.27480981426907,0.19507316153793436
EOS-3-17053,Fc1ccnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)c1,LMRSKADJOLTWNI-UHFFFAOYSA-N,3,1,0.457,18,181,447.861,4.057,5,0.387,0.68,1.0,0.7036101021177438,0.6549842368583373,0.6284781714755672,0.6859108354465081,0.6682458364745391
EOS-3-17054,Cn1nc(C(F)F)nc1-c1ccc(-c2nnc3cncc(-c4cnn(C5CC5)c4)n23)cc1,NIVRYEQOROFFNZ-UHFFFAOYSA-N,3,1,0.329,61,542,433.426,3.723,6,0.42,0.72,1.0,0.0997704064149133,0.15578096086628743,0.12024535672674937,0.1929699814954424,0.14219167637584812
EOS-3-17055,Fc1ccc(-c2cccnn2)cc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,DTCBOUUAZUIQLL-UHFFFAOYSA-N,3,1,0.472,72,433,433.834,4.015,5,0.386,0.77,1.0,0.8115362209581248,0.8279675827564937,0.8052052635186073,0.8202830511959427,0.816248029607292
EOS-3-17056,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cc2)nn1,WUHYJLWKDYHIRT-UHFFFAOYSA-N,3,1,0.296,42,369,420.396,2.755,6,0.419,0.73,1.0,0.21743711877184566,0.10682098553903091,0.2369611404290316,0.260006168185868,0.20530635323144403
EOS-3-17057,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)c1F,AGOUSZYNUFVYPQ-UHFFFAOYSA-N,3,1,0.451,11,503,430.418,4.148,5,0.403,0.73,0.99,0.7312298677266809,0.630260091837434,0.7139503803714619,0.7508652594064834,0.7065763998355151
EOS-3-17058,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccn4)n23)c(F)c1,OZMZPMOLGCWLAA-UHFFFAOYSA-N,3,1,0.529,73,10,435.369,3.64,5,0.416,0.67,1.0,0.7894421218559385,0.8964601466657529,0.8447330546227126,0.8322253443903777,0.8407151668836955
EOS-3-17059,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnc(F)cn5)c4)n23)cc1,HHZUMKLLEKLTHN-UHFFFAOYSA-N,3,1,0.385,14,358,430.874,4.94,5,0.404,0.84,1.0,0.4689106298403125,0.5445908436707559,0.8731666780892331,0.887918922623535,0.6936467685559591
EOS-3-17060,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccncn5)cn4)n23)c(F)c1,ZYIZCMBPYVYDMR-UHFFFAOYSA-N,3,1,0.472,51,969,425.387,2.628,5,0.417,0.69,1.0,0.8295096292234939,0.872498457953533,0.5732386402576931,0.5407442944280721,0.7039977554656981
EOS-3-17061,COc1cnc(-c2nccc(C)n2)cc1-c1nnc2cncc(OCCc3ncccn3)n12,BLTDWMMDLWOBPT-UHFFFAOYSA-N,3,1,0.453,65,359,441.455,2.372,5,0.371,0.68,1.0,0.29317730107600576,0.05930025358097457,0.05302069769035707,0.024621341923103283,0.10752989856761017
EOS-3-17062,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)n4)n23)c1,HZXRXVSMDWIOEF-UHFFFAOYSA-N,3,1,0.3,25,219,451.429,2.64,6,0.372,0.69,0.999,0.18412891508464121,0.22201185662394626,0.1621204852306216,0.2335258035775478,0.20044676512918924
EOS-3-17063,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cccc(F)n4)n23)cc1,XJPJMWNJUMLRHE-UHFFFAOYSA-N,3,1,0.321,98,890,451.429,2.64,6,0.372,0.69,1.0,0.255234391062984,0.24756699335206633,0.1684600095949558,0.22445343019669659,0.22392870605167567
EOS-3-17064,Cn1cnnc1-c1cc(F)cc(-c2cncc3nnc(-c4ccc(C#N)cc4F)n23)c1,PYFURMDZBLRPJL-UHFFFAOYSA-N,3,1,0.383,61,252,414.379,3.404,5,0.449,0.83,1.0,0.2687444314988692,0.44113665958467546,0.839927009800562,0.8645569186484819,0.6035912548831471
EOS-3-17065,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(=O)n(C)nc4-c4ccccc4)n23)cc1,GAJMZISIMUVNEF-UHFFFAOYSA-N,3,1,0.356,9,882,462.477,2.41,6,0.392,0.72,1.0,0.13725070248783497,0.0632838736207251,0.05115310808032349,0.07180796381330957,0.08087391200054828
EOS-3-17066,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)cn1,XNFOXKXIPROHNQ-UHFFFAOYSA-N,3,1,0.429,55,617,452.265,3.319,5,0.396,0.66,1.0,0.5475207319580563,0.6790829963676239,0.3616355972859982,0.4381810705229251,0.5066050990336508
EOS-3-17067,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)cc1,XNGYFIUFDZUFBB-UHFFFAOYSA-N,3,1,0.276,30,543,435.476,3.829,6,0.411,0.7,0.999,0.045002056061956,0.07424097046124323,0.1285638407237338,0.20438969227606057,0.11304913988074841
EOS-3-17068,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)n2)n1,JHAWNLSKQGMROC-UHFFFAOYSA-N,3,1,0.258,76,813,435.455,2.444,6,0.414,0.64,0.898,0.03616098965115482,0.03115790555822082,0.10618703310259749,0.09001267904872867,0.06587965184017545
EOS-3-17069,Fc1c(Cl)cccc1-c1cnnc(-c2nnc3cncc(OCCc4cncnn4)n23)c1,NMDHDKFGLPQSFJ-UHFFFAOYSA-N,3,1,0.408,53,207,449.837,2.847,5,0.385,0.67,1.0,0.6256682201357001,0.6498183811938867,0.4062778425056542,0.5343019669659379,0.5540166027002947
EOS-3-17070,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)nc1,VCWOANOAJNWGLO-UHFFFAOYSA-N,3,1,0.312,30,301,446.449,4.511,6,0.393,0.75,1.0,0.26074292372010144,0.30372318552532385,0.5532948392844904,0.6070351586594476,0.4311990267973408
EOS-3-17071,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)cc1,SIEOVTKCLSFWNL-UHFFFAOYSA-N,3,1,0.425,69,757,446.449,4.511,6,0.393,0.75,1.0,0.3189466109245425,0.5038037146186005,0.6436844630251525,0.6971078061818929,0.5408856486875471
EOS-3-17072,Cn1c(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)nc2cc(F)ccc21,QJUUJJYHJHYNDZ-UHFFFAOYSA-N,3,1,0.329,3,192,439.429,4.685,6,0.4,0.79,1.0,0.2764032622849702,0.39067747241450207,0.7398824617915153,0.8033376739085738,0.5525752175998904
EOS-3-17073,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cn1,JUXGGVNNGAHVHK-UHFFFAOYSA-N,3,1,0.321,70,899,450.441,3.245,6,0.376,0.69,1.0,0.18130182989514085,0.257221917620451,0.3616441642108149,0.3752912754437667,0.2938647967925434
EOS-3-17074,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,VNIIDYZNQQOSFJ-UHFFFAOYSA-N,3,1,0.429,18,658,426.44,2.152,5,0.417,0.69,1.0,0.38725070248783494,0.2524415735727503,0.24419162497429922,0.19546295661709273,0.2698367144129943
EOS-3-17075,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cc1Cl,UIRVQNMAIWHXQQ-UHFFFAOYSA-N,3,1,0.338,25,508,468.912,3.703,6,0.388,0.73,1.0,0.20919573709821124,0.29387122198615584,0.3880045918717017,0.4605150435199781,0.3378966486190117
EOS-3-17076,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)cn1,CXUVYAMISFVDKT-UHFFFAOYSA-N,3,1,0.318,38,725,449.453,3.85,6,0.377,0.74,1.0,0.20090295387567678,0.2987286683572065,0.522822287711603,0.537266122952505,0.38993000822424784
EOS-3-17077,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)cc3)n12,GVDIVHXLLVGYNE-UHFFFAOYSA-N,3,1,0.321,8,474,449.453,3.85,6,0.377,0.74,1.0,0.16998492221232267,0.3237440888218765,0.3805942019052841,0.46981015694606265,0.3360333424713865
EOS-3-17078,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)n5)nc4)n23)c1,QYXRFNGRMUTAHG-UHFFFAOYSA-N,3,1,0.596,84,56,431.406,3.543,5,0.38,0.73,1.0,0.8848091289150847,0.9159584675484888,0.6687341511890892,0.6481392639298198,0.7794102528956206
EOS-3-17079,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)nc2)cc1F,JKFSCGYLJXJJAQ-UHFFFAOYSA-N,3,1,0.505,1,417,441.422,4.791,5,0.418,0.81,1.0,0.7004232060859434,0.18016242889452402,0.8368857514906449,0.7027362757864437,0.605051915564389
EOS-3-17080,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nccc(C)n5)nc(C)n4)n23)cn1,GUFQTJMDYXNKLE-UHFFFAOYSA-N,3,1,0.431,7,567,468.481,1.989,5,0.392,0.7,1.0,0.4110924542526215,0.16338839010348846,0.0294873552189706,0.007607429237201015,0.1528939072030704
EOS-3-17081,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)nc1,HPEQYEMANASHMA-UHFFFAOYSA-N,3,1,0.321,8,654,439.468,2.562,6,0.407,0.62,1.0,0.07077993283530944,0.10015591803166335,0.04930265231992324,0.07378692344595984,0.07350635665821396
EOS-3-17082,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cn1,FGUJKDGPDMNIQE-UHFFFAOYSA-N,3,1,0.276,10,871,432.451,3.199,6,0.417,0.64,0.997,0.0013107394969501748,0.016037283256802138,0.09851106846686314,0.12248132410389967,0.05958510383112878
EOS-3-17083,Cn1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)c2)n1,WZRNCDKZWACUDP-UHFFFAOYSA-N,3,1,0.287,98,63,423.4,2.094,6,0.414,0.7,1.0,0.09259132341854567,0.06329244054554177,0.07947536152422727,0.10207490919059695,0.08435850866972791
EOS-3-17084,Clc1cnc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)nc1,DZXDNSHMOVBMPA-UHFFFAOYSA-N,3,1,0.279,86,249,455.833,1.729,6,0.382,0.66,0.966,0.027491261736687,0.09704612432321294,0.06261565348502501,0.11788945240216572,0.07626062298677266
EOS-3-17085,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cccc(-c4cccnc4F)n3)n12,GRNMRNAJJSCTLV-UHFFFAOYSA-N,3,1,0.318,52,423,465.492,4.255,6,0.39,0.77,0.999,0.17264923583030636,0.2023079295456103,0.3318655335480776,0.3817336029059009,0.2721390754574738
EOS-3-17086,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nn2)cn1,RKGOUHGVLJTMNX-UHFFFAOYSA-N,3,1,0.309,38,620,436.414,3.03,6,0.388,0.67,1.0,0.011342608457268179,0.1227640326228497,0.38060276883010075,0.40040949900623674,0.22877972722911383
EOS-3-17087,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cccc(-c4ncccc4F)c3)n12,VDKXWDIUEXHRRD-UHFFFAOYSA-N,3,1,0.533,15,438,429.459,3.656,5,0.41,0.72,1.0,0.41327702008087175,0.467659858817079,0.37697895963265027,0.36256082516619836,0.40511916592419983
EOS-3-17088,Fc1cc(-c2noc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccc1Cl,GVYLXVDBPYRMFF-UHFFFAOYSA-N,3,1,0.462,45,102,427.226,4.954,5,0.405,0.88,1.0,0.4337605373175245,0.7222774312932629,0.8529401685970804,0.9350798437392913,0.7360144952367899
EOS-3-17089,Cc1cnc(COc2cncc3nnc(-c4cc(C)nc(-c5cncc(F)c5)c4)n23)cn1,FGTOYAPZQOQYMJ-UHFFFAOYSA-N,3,1,0.483,7,535,428.431,3.373,5,0.42,0.67,1.0,0.5245185388253033,0.48972825714481527,0.40628640943047084,0.3236926872729765,0.43605647316839147
EOS-3-17090,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)c5)nc4)n23)cn1,FQKLKRITJGKMIH-UHFFFAOYSA-N,3,1,0.553,1,666,428.883,4.789,5,0.4,0.82,1.0,0.7312384346514975,0.7713402097183195,0.7587039956137345,0.7533753683777671,0.7536645020903296
EOS-3-17091,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5ncnc(Cl)n5)n4)n23)nc1,ZHONKYHFKKVIPK-UHFFFAOYSA-N,3,1,0.275,33,432,471.872,2.041,6,0.403,0.67,0.745,0.1813103968199575,0.16339695702830512,0.01935268316085258,0.042414844767322324,0.10161872044410938
EOS-3-17092,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cn4)n23)nc1,CGWCFLXGQYOSQS-UHFFFAOYSA-N,3,1,0.307,6,318,436.439,3.164,6,0.437,0.67,1.0,0.38725926941265165,0.25723048454526765,0.22986772668083064,0.1736944006579398,0.2620129703241724
EOS-3-17093,Cn1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)c2)n1,YMHJWRCXBZODKQ-UHFFFAOYSA-N,3,1,0.312,98,882,424.388,1.489,6,0.404,0.7,1.0,0.1260879994517168,0.07765060653827702,0.03692344595983826,0.04363134809128915,0.07107335001028031
EOS-3-17094,CC1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)cc2)CC1,JEMJGJXWZMHIKG-UHFFFAOYSA-N,3,1,0.295,52,376,476.544,4.182,6,0.383,0.83,1.0,0.022967925433486396,0.0027928174902337056,0.015985881707902133,0.0681841546158591,0.027482694811870333
EOS-3-17095,Fc1ccc(-c2nnc3cncc(OCc4cn(-c5cccc(Cl)c5)nn4)n23)cc1,VHCWEUAQBTXAOA-UHFFFAOYSA-N,3,1,0.699,34,612,421.823,3.744,5,0.43,0.77,1.0,0.41328558700568846,0.6839661435131246,0.6687427181139058,0.7758378452470701,0.6354580734699472
EOS-3-17096,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)cn2)n1,AQCPTVYZMVNIMV-UHFFFAOYSA-N,3,1,0.263,70,813,435.455,2.444,6,0.414,0.63,0.999,0.037523130697005004,0.03433623466520458,0.14644301281611952,0.12027962442601604,0.08464550065108628
EOS-3-17097,Cc1ncc(-c2nc(C)sc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,JVZGMJIWCUTJHH-UHFFFAOYSA-N,3,1,0.304,82,974,469.534,3.276,6,0.416,0.73,0.999,0.033539510657254475,0.08783668014529504,0.013390103488451785,0.013912685902268521,0.03716974504831746
EOS-3-17098,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cc(C)nn5C)c(C)n4)n23)n1,CZUWCPYGDZSXGO-UHFFFAOYSA-N,3,1,0.433,31,464,426.484,3.486,5,0.424,0.74,1.0,0.2256785004454801,0.1479165238845864,0.15274826948118703,0.07581728462751011,0.15054014460969092
EOS-3-17099,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(F)c2)n1,ZXLHHZATCDZHJB-UHFFFAOYSA-N,3,1,0.488,16,772,435.85,3.958,5,0.415,0.7,1.0,0.6886179836885752,0.6936810362552258,0.7775769309848537,0.7712716743197862,0.7327869063121102
EOS-3-17102,Fc1cc(-c2ccccc2)cc(-c2nnc3cncc(COc4ccc(Cl)nn4)n23)c1,BOFOEULKZDEJDW-UHFFFAOYSA-N,3,1,0.391,57,18,432.846,4.62,5,0.403,0.78,1.0,0.620074018230416,0.7084761154136111,0.7883712562538551,0.8382478925364951,0.7387923206085942
EOS-3-17103,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)ccc1Cl,IZQWNDOZODTANP-UHFFFAOYSA-N,3,1,0.768,97,96,432.846,4.62,5,0.403,0.78,1.0,0.9756613665958468,0.9634106641080118,0.9103385648687548,0.9093362346652045,0.9396867075594544
EOS-3-17104,Fc1cc(-c2cncc(-c3nnc4cncc(COc5cccc(Cl)c5)n34)c2)ccn1,HLAMHSVGPLWVJD-UHFFFAOYSA-N,3,1,0.411,14,189,432.846,4.62,5,0.377,0.84,1.0,0.47145500651086286,0.6019978068672469,0.8834641217188678,0.902439860187787,0.7148391988211912
EOS-3-17105,Fc1ccc(-c2ncnnc2-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cc1,QKZZVAOVKXKIJX-UHFFFAOYSA-N,3,1,0.327,85,476,452.375,3.787,5,0.383,0.72,0.985,0.40023816050990335,0.4500291275443767,0.9009663491193202,0.8645654855732986,0.6539497806867247
EOS-3-17106,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)cc4F)n23)nc1,MCLZVPHOTDRURD-UHFFFAOYSA-N,3,1,0.471,16,946,434.46,3.435,5,0.414,0.7,1.0,0.5690751147967925,0.6302686587622507,0.15568672469330408,0.140034953053252,0.37376636282639986
EOS-3-17107,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)cn1,CBBALMPTOHOLSO-UHFFFAOYSA-N,3,1,0.489,27,69,450.384,3.694,5,0.386,0.73,0.999,0.6856109930779247,0.8126327873346584,0.8032263038859571,0.7027448427112604,0.75105373175245
EOS-3-17108,CC(=O)N1CCC(n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)cn2)C1,HTULRHJUSTYTFO-UHFFFAOYSA-N,3,1,0.284,52,523,469.484,3.044,6,0.398,0.72,0.997,0.029727229113837298,0.09087793845521212,0.020149407168802688,0.06479165238845865,0.05138655678157769
EOS-3-17109,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccn2)cn1,BCUFXYGECYGQSM-UHFFFAOYSA-N,3,1,0.562,75,454,440.467,2.806,5,0.359,0.72,0.999,0.48904290315948185,0.2370125419779316,0.17168974025083955,0.1202881913508327,0.2545083441847714
EOS-3-17110,Cc1c(F)ccc(COc2cncc3nnc(-c4ncc(-c5cccc(F)c5)nn4)n23)c1F,GBAHRDMNYXWNQR-UHFFFAOYSA-N,3,1,0.449,34,607,449.396,3.948,5,0.401,0.74,1.0,0.7312470015763142,0.6693509697758893,0.8032348708107737,0.8202916181207593,0.756031115070934
EOS-3-17111,COc1cc(-c2nnc3cncc(OCc4ccc(CO)cn4)n23)ccc1-c1ccccc1F,RLPBMVVWBIZTMX-UHFFFAOYSA-N,3,1,0.522,1,955,457.465,4.072,5,0.394,0.78,1.0,0.8319255020217943,0.792629017887739,0.8587999451716811,0.7611284353368515,0.8111207251045165
EOS-3-17112,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cn2)n1,LUIFKGKXPCQRFY-UHFFFAOYSA-N,3,1,0.309,70,790,433.435,3.669,6,0.41,0.67,0.982,0.1868960318004249,0.10016448495648002,0.30601055445137415,0.2689757384689192,0.21551170241929957
EOS-3-17113,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)ns4)n23)cc1,LAOBQKXVMQIXTJ-UHFFFAOYSA-N,3,1,0.57,4,539,421.873,3.937,5,0.424,0.8,1.0,0.6117641011582482,0.8279761496813104,0.2513621410458502,0.38814166266876843,0.5198110136385443
EOS-3-17114,Cc1cn(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)nn1,CTLBMMFXTXTORP-UHFFFAOYSA-N,3,1,0.35,86,167,433.439,2.594,6,0.412,0.65,1.0,0.0030669590843670756,0.012096497841134946,0.13445788499760125,0.14964704269755327,0.07481709615516413
EOS-3-17115,COc1cc(-c2nnc3cncc(OCc4ncc(-c5cccnc5)cn4)n23)ccc1Cl,ZDNPFRSBIWDFJN-UHFFFAOYSA-N,3,1,0.483,97,969,445.87,3.884,5,0.388,0.74,1.0,0.8509954766636968,0.8698341443355493,0.6017836337468302,0.547349393461723,0.7174906620519498
EOS-3-17116,Fc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)n1,VHKVZYHMCCCAGB-UHFFFAOYSA-N,3,1,0.407,97,565,433.834,4.015,5,0.386,0.73,1.0,0.7492803783154,0.6790915632924406,0.7612740730587348,0.7829141251456377,0.7431400349530533
EOS-3-17117,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)nn1,CSSIIPKJLKDKKU-UHFFFAOYSA-N,3,1,0.646,59,294,447.861,4.323,5,0.396,0.75,1.0,0.8245665136042766,0.8242923720101433,0.7635785758344185,0.7585669248166678,0.7927510965663764
EOS-3-17118,CNC(=O)c1ccc(-c2nnc3cncc(Cc4c(F)c(F)cc(F)c4F)n23)cc1,SYFUIYFJWDZLDC-UHFFFAOYSA-N,3,1,0.477,23,646,415.35,3.298,4,0.41,0.82,1.0,0.42958844493180726,0.512584812555685,0.9418391474196423,0.9093448015900213,0.6983393016242889
EOS-3-17119,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5F)cc4F)n23)cc1,LYGIHSQLGIQBCG-UHFFFAOYSA-N,3,1,0.392,83,3,459.431,4.902,5,0.415,0.81,1.0,0.40886505380028787,0.48093859228291413,0.9573110136385443,0.9442892879172092,0.6978509869097389
EOS-3-17120,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)nc2)nn1,ABDHPTUZBIFNFP-UHFFFAOYSA-N,3,1,0.299,10,543,462.452,3.61,6,0.387,0.69,0.997,0.1813189637447742,0.2987372352820232,0.3023696114042903,0.3721215132615996,0.2886368309231718
EOS-3-17121,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)nn4)n23)cc1,KQECDSABZRJGRM-UHFFFAOYSA-N,3,1,0.39,62,574,475.434,4.049,5,0.398,0.79,1.0,0.23383421287094786,0.38594852991570144,0.7994054554177232,0.7662771571516689,0.5463663388390103
EOS-3-17122,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cc1,YBAZGPGRKFQEQD-UHFFFAOYSA-N,3,1,0.304,98,620,420.44,2.834,6,0.432,0.71,1.0,0.005422863408950723,0.010263175930368035,0.2770286477965869,0.27481838119388663,0.14188326708244808
EOS-3-17123,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)c(F)c1,UNZJVCPPOYMSPT-UHFFFAOYSA-N,3,1,0.527,26,448,440.442,3.659,5,0.397,0.7,1.0,0.6974076485504763,0.6020063737920636,0.7115088067987115,0.6220015763141663,0.6582311013638544
EOS-3-17124,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)o1,PBHAZWQUZUHBSJ-UHFFFAOYSA-N,3,1,0.433,31,194,434.847,3.215,5,0.397,0.69,0.951,0.5271485847440203,0.46347919950654515,0.21227983003221162,0.22763175930368035,0.35763484339661433
EOS-3-17125,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cccnn1,QAGXUHZXTNZRDD-UHFFFAOYSA-N,3,1,0.578,34,275,447.861,4.057,5,0.387,0.72,0.98,0.957499485984511,0.9835515043519978,0.5794068261256939,0.6625573983962717,0.7957538037146186
EOS-3-17126,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)c1F,FIZUHDUMTBNBHL-UHFFFAOYSA-N,3,1,0.5,73,665,451.824,4.154,5,0.396,0.75,1.0,0.9290315948187239,0.9332893564526078,0.8206000274141594,0.8382564594613118,0.8802943595367008
EOS-3-17127,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccn(C)n5)cc4)n23)cn1,IIQWWOMFWMKQFC-UHFFFAOYSA-N,3,1,0.346,61,204,410.441,2.613,5,0.489,0.84,1.0,0.10497909670344734,0.06330100747035844,0.22987629360564732,0.1522513878418203,0.13760194640531836
EOS-3-17128,CCc1cc(Cc2cncc3nnc(-c4cnc(-c5cnccn5)nc4)n23)cc(CC)n1,WUEHVNJEFAEFFE-UHFFFAOYSA-N,3,1,0.301,85,674,423.484,3.149,5,0.41,0.71,1.0,0.09259989034336234,0.04797477897333973,0.07077136591049277,0.04763210198067302,0.06474453430196696
EOS-3-17129,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ncccc4F)ccn3)n12,CAUZMGOWWBLMAN-UHFFFAOYSA-N,3,1,0.478,18,181,431.406,3.543,5,0.406,0.67,1.0,0.7036186690425604,0.5881622232883285,0.6661469398944555,0.6712099924611061,0.6572844561716127
EOS-3-17130,COc1ncc(-c2nnn(C)n2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,UBIRCLIQMJVXQL-UHFFFAOYSA-N,3,1,0.264,33,432,469.469,1.34,6,0.386,0.75,0.994,0.09504146391611268,0.05155575354670688,0.00884106641080118,0.005637036529367419,0.04026883010074704
EOS-3-17131,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)nc(C(F)F)n4)n23)cc1,QLNJZRJEDJPBKT-UHFFFAOYSA-N,3,1,0.506,66,12,479.369,3.476,4,0.422,0.78,0.839,0.8035946816530738,0.6889863614556919,0.8964087451168529,0.6594390377630046,0.7621072064971558
EOS-3-17132,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)c1,PBZMIDNZNBDWEO-UHFFFAOYSA-N,3,1,0.438,18,367,431.406,3.543,5,0.406,0.68,1.0,0.6795884449318073,0.572570420121993,0.6661555068192722,0.6886265506133918,0.6517352306216161
EOS-3-17133,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ncn2)n1,XQCAUGANGGRQHM-UHFFFAOYSA-N,3,1,0.404,44,488,431.406,3.809,5,0.418,0.7,0.691,0.6944863271879926,0.5589747104379412,0.7244362963470633,0.6831265848810911,0.6652559797135221
EOS-3-17134,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc1)N1CCC(F)(F)C1,OZKASJIKYPQDEJ-UHFFFAOYSA-N,3,1,0.333,52,821,472.459,3.725,6,0.427,0.75,0.998,0.11248372284284833,0.12277259954766637,0.2052635186073607,0.3721300801864163,0.20316248029607292
EOS-3-17135,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccncc5-c5cnccn5)n34)n2)cc1,RJYYRWUETQXJBX-UHFFFAOYSA-N,3,1,0.375,42,136,448.425,3.301,6,0.4,0.64,0.998,0.3619354396545816,0.4457028305119594,0.3465406757590295,0.409918785552738,0.3910244328695771
EOS-3-17136,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)cn1,QZGIVSMAASFUBD-UHFFFAOYSA-N,3,1,0.315,10,543,450.441,3.245,6,0.402,0.65,1.0,0.09041532451511206,0.197570420121993,0.29878863683092316,0.3752998423685834,0.2405185559591529
EOS-3-17137,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c2)n1,NFQGQVGSUQASCD-UHFFFAOYSA-N,3,1,0.489,4,506,431.847,2.974,5,0.387,0.67,1.0,0.4840312521417312,0.5725789870468097,0.24770406414913304,0.25707627989856763,0.39034764580906034
EOS-3-17138,Fc1cncc(-c2ncc(-c3nnc4cncc(-c5nnn(-c6cccc(F)c6)n5)n34)cn2)c1,LHFJGKGRVIPGJP-UHFFFAOYSA-N,3,1,0.31,10,952,455.392,2.564,6,0.394,0.64,1.0,0.024064491810019874,0.1557895277911041,0.222560139812213,0.34616373106709614,0.1871444726201083
EOS-3-17139,CCn1nnc(-c2cc(OC)c(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)n1,SCPCIUKLAJAOMP-UHFFFAOYSA-N,3,1,0.315,50,974,443.431,1.029,5,0.4,0.65,0.987,0.15659481872387088,0.10347131793571379,0.008849633335617847,0.0026129120690836817,0.06788217051607155
EOS-3-17140,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)cn2)no1,NEBTUSBQSYXYJT-UHFFFAOYSA-N,3,1,0.3,70,812,426.425,2.817,6,0.414,0.71,1.0,0.1344407511479679,0.12634500719621686,0.10901411829209787,0.13109108354465082,0.12522274004523337
EOS-3-17141,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c(F)c2)nc1,DPQMBFTYRIQFRM-UHFFFAOYSA-N,3,1,0.488,13,145,434.381,4.766,5,0.406,0.81,1.0,0.8643427455280652,0.9195822767459393,0.9043417174970872,0.8919539442121855,0.8950551709958192
EOS-3-17142,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccncc6)n5)n34)cn2)c1,OYBONMHJMYXAIZ-UHFFFAOYSA-N,3,1,0.341,10,952,452.869,3.544,6,0.399,0.67,1.0,0.005431430333767391,0.15579809471592077,0.2728651223356864,0.42576759646357343,0.21496556096223698
EOS-3-17143,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(CF)c5)cnn4)n23)nc1,XNGIYQHZMKGZCA-UHFFFAOYSA-N,3,1,0.257,33,432,467.468,3.067,6,0.404,0.68,0.392,0.0765369063121102,0.06330957439517511,0.16846857651977246,0.22764032622849703,0.1339888458638887
EOS-3-17144,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cccnc5)nn4)n23)nc1,DENXRQXGRAFWKG-UHFFFAOYSA-N,3,1,0.271,99,813,434.427,1.896,6,0.404,0.64,0.981,0.026257624563086834,0.014598039887601947,0.060619560002741414,0.07759920498937702,0.044768607360701804
EOS-3-17145,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cccnn5)n4)n23)cc1,GZGJKKSEUHSMPK-UHFFFAOYSA-N,3,1,0.282,98,63,434.427,1.896,6,0.404,0.64,1.0,0.0494739908162566,0.03434480159002125,0.07304160098690973,0.09388492906586252,0.06268633061476253
EOS-3-17146,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)nn1,PEAPDPMVJMVDHK-UHFFFAOYSA-N,3,1,0.274,99,813,434.427,1.896,6,0.404,0.64,0.983,0.046389897882256184,0.023601877869919814,0.03975053114933863,0.06630799808100885,0.04401257624563087
EOS-3-17147,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5conn5)c4)n23)ccc1Cl,BZBDVFGIUQMPQZ-UHFFFAOYSA-N,3,1,0.575,16,391,423.795,3.608,5,0.422,0.76,1.0,0.7550202179425674,0.812641354259475,0.782160235761771,0.7990199438009732,0.7872104379411967
EOS-3-17148,N#Cc1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)nc(C(F)(F)F)n4)n23)cc1F,FEWLLCOWDQDZKZ-UHFFFAOYSA-N,3,1,0.404,66,455,467.308,4.22,4,0.419,0.72,0.999,0.5975687067370297,0.7625676787060517,0.9955109313960661,0.9818552532382976,0.8343756425193611
EOS-3-17149,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5cc(F)cc(F)c5)n34)n2)cn1,QFZNHCUDJYFNDK-UHFFFAOYSA-N,3,1,0.561,73,446,420.383,2.839,5,0.431,0.69,1.0,0.4201905284079227,0.45455246384757725,0.5329055582208211,0.507299019943801,0.4787368926050305
EOS-3-17150,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)nc1,UPEYCSLQBQAKQX-UHFFFAOYSA-N,3,1,0.253,86,165,433.439,2.501,6,0.412,0.64,1.0,0.03616955657597149,0.025983482968953465,0.20157117401137686,0.18207285312864094,0.1114492666712357
EOS-3-17151,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nc1,JEZRLOKQJNAPOO-UHFFFAOYSA-N,3,1,0.282,94,892,433.439,2.501,6,0.412,0.64,0.993,0.09977897333972997,0.06331814131999178,0.08434994174491124,0.09793708450414639,0.08634603522719485
EOS-3-17152,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)nn1,YTTNEEVFLRVYGY-UHFFFAOYSA-N,3,1,0.293,39,972,433.439,2.501,6,0.412,0.64,0.759,0.07878144061407717,0.010271742855184703,0.036932012884654926,0.06163902405592488,0.046906055102460424
EOS-3-17153,c1cncc(-c2cncnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)c1,LFBGCBRTFIQABV-UHFFFAOYSA-N,3,1,0.25,76,387,420.4,1.885,6,0.448,0.68,0.655,0.061407717085874856,0.07765917346309369,0.07077993283530944,0.10208347611541362,0.0779825748749229
EOS-3-17154,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccncc6)cn5)n34)cc2)c[nH]1,WVSWTJMAFGGMTK-UHFFFAOYSA-N,3,1,0.325,42,106,431.463,4.009,6,0.449,0.67,1.0,0.09738023439106298,0.0742495373860599,0.4094904393119046,0.38478342814063465,0.2414759098074155
EOS-3-17155,Fc1ccc(-c2ccccn2)cc1-c1nnc2cncc(OCCc3nccc(Cl)n3)n12,VKTOSHKZYBFFRD-UHFFFAOYSA-N,3,1,0.517,11,0,447.861,4.057,5,0.362,0.79,1.0,0.7753323966828867,0.8454184086080461,0.5296501267904873,0.6133575491741484,0.6909396203138921
EOS-3-17156,Cc1ncc(-c2cnc(Oc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c(F)c2)cn1,KSOXLVYOGTTWEH-UHFFFAOYSA-N,3,1,0.368,51,969,450.384,4.216,5,0.392,0.77,1.0,0.6612809265985882,0.7222859982180796,0.8187581385785758,0.7164347885682956,0.7296899629908848
EOS-3-17157,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cncnn6)cc5)n34)c2)n1,AAPSMUQFSHPKOK-UHFFFAOYSA-N,3,1,0.304,98,882,434.427,1.896,6,0.404,0.65,1.0,0.08105167569049414,0.03435336851483791,0.11447981632513193,0.13328421629771778,0.09079226920704545
EOS-3-17158,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ncccn5)n34)c2)n1,MJPUPPCUCBTCFD-UHFFFAOYSA-N,3,1,0.278,39,495,434.427,1.896,6,0.404,0.65,1.0,0.032194503461037624,0.02131450894386951,0.02108320197381948,0.027422726338153656,0.025503735179220065
EOS-3-17159,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)nc2)nn1,YJSMSQITWPNOTM-UHFFFAOYSA-N,3,1,0.255,70,165,433.439,2.501,6,0.412,0.65,0.742,0.010580152148584744,0.01028030978000137,0.15894215612363785,0.15772565279967102,0.08438206771297374
EOS-3-17161,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)ncn1,SPOPHTHMWYTJFI-UHFFFAOYSA-N,3,1,0.547,24,486,430.859,3.579,5,0.416,0.67,1.0,0.5217257213350696,0.5633181413199918,0.44266157220204233,0.4194109382496059,0.4867790932766774
EOS-3-17162,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)cn1,OYUVPZBOQXVAEI-UHFFFAOYSA-N,3,1,0.329,98,167,450.441,3.245,6,0.376,0.7,1.0,0.22276574600781304,0.35258035775478036,0.35792611884038106,0.40657768487423757,0.334962476869303
EOS-3-17163,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cn5)n34)cc2)n(C)n1,FXUJFFIJCXNSPC-UHFFFAOYSA-N,3,1,0.312,98,882,450.47,2.148,6,0.396,0.64,1.0,0.10240045233363032,0.06697621821670893,0.028305119594270442,0.022119799876636283,0.05495039750531149
EOS-3-17164,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C(C)C)c5)cnn4)n23)nc1,JBADTDZFIKSYFZ-UHFFFAOYSA-N,3,1,0.259,33,432,454.498,2.837,5,0.415,0.63,0.954,0.043494277294222464,0.013278733465835104,0.10102974436296347,0.03325680213830443,0.04776488931533137
EOS-3-17165,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ncnn5C)cc4F)n23)cc1,CPJGHVONCPUTOJ-UHFFFAOYSA-N,3,1,0.561,43,521,433.422,3.752,5,0.42,0.69,1.0,0.7370468096771983,0.6302772256870673,0.7449797820574326,0.6971163731067096,0.7023550476321019
EOS-3-17166,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5nnc6cccnn56)nn4)n23)cc1Cl,JPLZWJMSRRXOSY-UHFFFAOYSA-N,3,1,0.424,67,706,460.82,3.271,6,0.39,0.69,0.933,0.855244671372764,0.8611986841203482,0.3172417928860256,0.4698187238708793,0.6258759680625042
EOS-3-17167,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Oc5ccccc5)c4)n23)cc1,QTNSTEBLCAZMHK-UHFFFAOYSA-N,3,1,0.638,79,590,465.513,4.565,5,0.361,0.87,1.0,0.8272565279967103,0.40971317935713797,0.6228154341717497,0.47587553971626345,0.5839151703104654
EOS-3-17168,FC(F)(F)c1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1Cl,IOJDFHGSQLNFOY-UHFFFAOYSA-N,3,1,0.519,68,255,441.2,4.486,4,0.465,0.69,1.0,0.9224607634843397,0.9634192310328284,0.9893941470769653,0.9832773627578645,0.9646378760879994
EOS-3-17169,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)c1,UERNCYNFAOMWFB-UHFFFAOYSA-N,3,1,0.25,99,813,435.455,2.444,6,0.414,0.62,1.0,0.02178568980878624,0.014606606812418614,0.14974127887053662,0.1377732849016517,0.08097671509834829
EOS-3-17170,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)n(C)n4)n23)nc1,PLWLXNNCMHGHTF-UHFFFAOYSA-N,3,1,0.299,98,979,435.455,2.444,6,0.414,0.62,1.0,0.018855801521485846,0.03436193543965458,0.0397590980741553,0.05159002124597355,0.03614171407031731
EOS-3-17171,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4Cl)n23)c1,YCTWVSZTUDJYPR-UHFFFAOYSA-N,3,1,0.671,91,876,446.873,4.662,5,0.377,0.79,1.0,0.9455143581659927,0.9721660612706463,0.805213830443424,0.8322339113151943,0.8887820402988144
EOS-3-17172,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c2)nc1,SHOUSWZYMRDPRC-UHFFFAOYSA-N,3,1,0.443,51,949,449.837,2.847,5,0.385,0.64,1.0,0.7036272359673772,0.6595332739359879,0.18470289904735795,0.245048317455966,0.4482279316016723
EOS-3-17173,Cn1cc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)ncc1=O,BFRRTNNVFMSYKV-UHFFFAOYSA-N,3,1,0.478,13,145,448.845,4.137,5,0.41,0.71,1.0,0.583013501473511,0.630285792611884,0.8052223973682407,0.820300185045576,0.709705469124803
EOS-3-17174,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)c2)nn1,KQVFRWKLPDITJF-UHFFFAOYSA-N,3,1,0.258,99,286,437.431,1.234,6,0.395,0.64,0.997,0.024073058734836544,0.017613597423069016,0.033025495168254405,0.032125968062504284,0.026709529847166062
EOS-3-17175,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-n5cccn5)nc4)n23)cc1,RXFPOBHTBZYVMH-UHFFFAOYSA-N,3,1,0.378,89,357,410.441,2.322,5,0.477,0.82,1.0,0.104987663628264,0.025992049893770134,0.2335857720512645,0.14004351997806866,0.1261522513878418
EOS-3-17177,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)nn1,JFLCWDBJNALRAR-UHFFFAOYSA-N,3,1,0.313,70,968,446.478,3.414,6,0.405,0.66,0.99,0.08770817627304503,0.0479833458981564,0.1981786717839764,0.16556438900692208,0.12485864574052497
EOS-3-17178,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cncc(C)n5)cc4F)n23)nc1,FYPSTZCMSUCOTD-UHFFFAOYSA-N,3,1,0.337,85,580,425.471,4.184,5,0.42,0.76,0.999,0.3709906791857995,0.35763484339661433,0.5018161880611336,0.46982729079569596,0.42506725035981086
EOS-3-17179,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)o1,ZJBTUBCPAHIBLV-UHFFFAOYSA-N,3,1,0.554,43,909,432.871,4.691,5,0.397,0.82,1.0,0.8062161606469742,0.8314971557809608,0.637456308683435,0.610119251593448,0.7213222191762045
EOS-3-17180,Cc1cccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)nn2)n1,NMYADEOWNWIGRZ-UHFFFAOYSA-N,3,1,0.306,39,972,450.441,3.339,6,0.402,0.66,0.969,0.014478102940168597,0.10682955246384758,0.20527208553217738,0.28389075457473784,0.15261762387773287
EOS-3-17181,COc1nccnc1-c1cncc2nnc(-c3ccc(-c4nccc(C(F)(F)F)n4)cc3)n12,SVESOBLYHMRFHA-UHFFFAOYSA-N,3,1,0.365,27,856,450.384,3.733,5,0.408,0.69,1.0,0.6401463230758687,0.6595418408608046,0.784430470838188,0.5828335960523611,0.6667380577068056
EOS-3-17182,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)cc2)n(C)n1,BFHJLALRFFUFCA-UHFFFAOYSA-N,3,1,0.338,38,193,445.49,4.019,6,0.404,0.69,1.0,0.07272462476869303,0.06332670824480845,0.22988486053046397,0.2276488931533137,0.1483962716743198
EOS-3-17183,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncc4Cl)n23)cn1,DCTPGXALVDJOEL-UHFFFAOYSA-N,3,1,0.443,51,775,449.837,3.113,5,0.398,0.65,1.0,0.7867606743883215,0.7755380028784867,0.36908025495168256,0.37864094304708384,0.5775049688163936
EOS-3-17184,Cc1ncc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(Cl)nn5)c4)n23)cn1,JHBBLEDPTPFFIM-UHFFFAOYSA-N,3,1,0.506,51,969,449.837,3.113,5,0.398,0.66,1.0,0.8319340689466109,0.7755465698033034,0.39904735796038654,0.40992735247755463,0.6041138372969639
EOS-3-17185,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)ncn2)n1,NJNPMLLRLDDFLE-UHFFFAOYSA-N,3,1,0.289,98,890,437.431,1.234,6,0.395,0.65,1.0,0.0810602426153108,0.02838222191762045,0.021957028305119593,0.020440682612569393,0.037960043862655064
EOS-3-17186,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cn5)n34)cn2)nn1,FHTHAZQNRGWXLF-UHFFFAOYSA-N,3,1,0.293,99,286,437.431,1.234,6,0.395,0.65,1.0,0.04350284421903913,0.04799191282297306,0.023935987937769857,0.019746761702419298,0.03379437667055034
EOS-3-17187,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)nn1,YYQPWLMLZBWOSN-UHFFFAOYSA-N,3,1,0.506,59,630,449.396,3.948,5,0.375,0.74,1.0,0.8731581111644164,0.8419488040572956,0.8704509629223494,0.8382650263861284,0.8559557261325474
EOS-3-17189,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,ARCQFAQKTWZTIM-UHFFFAOYSA-N,3,1,0.35,3,115,453.897,4.093,6,0.399,0.73,1.0,0.03354807758207114,0.1759046672606401,0.494765608937016,0.5732215064080598,0.31935996504694675
EOS-3-17190,COc1cc(-c2nnc3cncc(OCCc4cncn4C)n23)ccc1-c1cccnn1,IAHRUDYIIOHUCI-UHFFFAOYSA-N,3,1,0.463,15,925,428.456,2.612,5,0.39,0.71,1.0,0.42019909533273936,0.21174868069357825,0.25137070797066685,0.14965560962236996,0.2582435234048386
EOS-3-17191,Cc1ccnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)n1,TTYVLCFDKBEQCQ-UHFFFAOYSA-N,3,1,0.291,38,193,446.478,3.414,6,0.405,0.65,1.0,0.09978754026454664,0.05156432047152354,0.1497498457953533,0.14005208690288534,0.1102884483585772
EOS-3-17192,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)n4)n23)cc1,ZPSIZTZSYJPIJW-UHFFFAOYSA-N,3,1,0.469,89,398,482.479,3.254,6,0.375,0.88,1.0,0.4964104585018162,0.24243540538688232,0.1621290521554383,0.17623877732849016,0.26930342334315677
EOS-3-17193,FC(F)c1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)ccn1,AIKGZKIFDLQNQE-UHFFFAOYSA-N,3,1,0.413,46,242,432.394,3.555,5,0.401,0.69,1.0,0.7811493386334042,0.6397950791583853,0.6523113563155369,0.5308923308889041,0.6510370262490576
EOS-3-17194,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)c2)n1,KULMWCVIBLWKPH-UHFFFAOYSA-N,3,1,0.5,16,980,432.394,3.204,5,0.417,0.66,1.0,0.6944948941128093,0.5779418819820438,0.5629583304776917,0.5343105338907546,0.5924264101158249
EOS-3-17195,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)nc2)n1,GWXLLPNBPWDNAR-UHFFFAOYSA-N,3,1,0.435,46,910,432.394,3.204,5,0.417,0.66,0.987,0.7190391337125626,0.6498269481187033,0.5629668974025084,0.5473579603865396,0.6197977349050785
EOS-3-17196,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)nc2)c1,OOAQFKHZUZVDNB-UHFFFAOYSA-N,3,1,0.277,94,687,434.488,4.434,6,0.405,0.79,0.99,0.06666780892330888,0.13661675005140156,0.46037797272291137,0.4787625933794805,0.28560628126927556
EOS-3-17197,Fc1cccc(F)c1-c1ccnc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,IANBNCBWFSBPCM-UHFFFAOYSA-N,3,1,0.438,18,503,431.406,3.543,5,0.406,0.69,1.0,0.6256767870605168,0.5679699814954424,0.6467342882598862,0.6740113768761565,0.6285981084230005
EOS-3-17198,Cn1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)c(F)cn2)n1,UDSTVMOXFFZRPC-UHFFFAOYSA-N,3,1,0.321,70,723,450.441,3.245,6,0.402,0.64,0.769,0.19265300527722568,0.24244397231169898,0.4062949763552875,0.4065862517990542,0.31199455143581656
EOS-3-17199,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(F)c5)c4)n23)cn1,LUMSEHNVYVPLTM-UHFFFAOYSA-N,3,1,0.432,97,430,442.414,2.46,5,0.396,0.66,1.0,0.5663251319306422,0.35764341032143104,0.3990559248852032,0.31464601466657527,0.4094176204509629
EOS-3-17200,COc1ccnc(-c2cc(-c3nnc4cncc(Oc5ccc(CF)cc5)n34)nn2C)n1,FVZZIMKMNRPNAQ-UHFFFAOYSA-N,3,1,0.435,95,956,432.419,3.252,5,0.403,0.74,1.0,0.42730107600575695,0.2729850592831197,0.22256870673702966,0.1577342197244877,0.27014726543759854
EOS-3-17201,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nc(C)nn5C)n4)n23)nc1,KWAGOPQYHXWKGV-UHFFFAOYSA-N,3,1,0.412,33,53,456.47,1.624,5,0.404,0.65,0.983,0.19815297100952642,0.09705469124802961,0.020157974093619354,0.005182989514084024,0.08013715646631485
EOS-3-17202,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)nn5C)cnn4)n23)nc1,XOPPHDUFXRHLQO-UHFFFAOYSA-N,3,1,0.398,33,760,456.47,1.624,5,0.404,0.65,0.997,0.24213556301829894,0.10683811938866425,0.06651360427660886,0.02044924953738606,0.10898413405523953
EOS-3-17203,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ccn4)n23)c(C)n1,AKXOMKHBQJFQNP-UHFFFAOYSA-N,3,1,0.404,46,88,444.886,3.888,5,0.402,0.68,1.0,0.49897196902199986,0.4634877664313618,0.37304674114179975,0.32370125419779316,0.4148019326982386
EOS-3-17204,COc1ccc(F)cc1COc1cncc2nnc(-c3cc(-c4ccc(F)cc4)ccn3)n12,VBURHUMSJDZADC-UHFFFAOYSA-N,3,1,0.483,57,560,445.429,4.719,5,0.377,0.85,1.0,0.8295181961483106,0.7362243848947981,0.915127475841272,0.8852717428551847,0.8415354499348914
EOS-3-17205,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnc5)cnn4)n23)c(F)c1,SOWVDTAOCYVIJS-UHFFFAOYSA-N,3,1,0.366,85,81,427.403,1.867,5,0.449,0.58,1.0,0.15907922692070453,0.202316496470427,0.3465492426838462,0.314654581591392,0.2556498869165924
EOS-3-17206,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cs1,CRXWTOCKUKTSIA-UHFFFAOYSA-N,3,1,0.471,4,19,435.9,4.246,5,0.407,0.76,1.0,0.5663336988554588,0.5679785484202591,0.30960009594955795,0.3237098211226098,0.44190554108697144
EOS-3-17207,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cn1,KRHXFCKSYARIEN-UHFFFAOYSA-N,3,1,0.465,50,845,421.346,3.177,5,0.435,0.69,0.999,0.29584161469398945,0.5264289630594202,0.6824754985950243,0.6395552052635186,0.5360753204029881
EOS-3-17208,CCn1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(C)(C)O)cc4)n23)c(C)n1,XEFFCELFMJSRRX-UHFFFAOYSA-N,3,1,0.318,52,336,439.523,4.273,5,0.439,0.72,1.0,0.15660338564868756,0.09088650538002878,0.562975464327325,0.37213864711123296,0.2956510006168186
EOS-3-17209,OCc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ccc2F)cn1,MSIUZZCVAMQUQO-UHFFFAOYSA-N,3,1,0.483,13,145,450.38,3.95,5,0.433,0.71,1.0,0.8686262079363991,0.9177318209855391,0.9187598519635392,0.909353368514838,0.9036178123500788
EOS-3-17210,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-n5cnnn5)nc4)n23)cc1,FMICCQPSHLMDJG-UHFFFAOYSA-N,3,1,0.293,98,890,422.416,1.624,6,0.416,0.67,1.0,0.020937564251936124,0.014615173737235282,0.09851963539167981,0.10627270235076416,0.06008626893290384
EOS-3-17211,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(C)(C)O)cc5)n34)nc2)n1,GGFFBNCUFMOSSW-UHFFFAOYSA-N,3,1,0.471,89,943,442.483,2.788,5,0.427,0.65,1.0,0.5115482146528683,0.2779367418271537,0.5533034062093071,0.3053509012404907,0.4120348159824549
EOS-3-17212,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)nc1,LIYHDFWPZLEYBH-UHFFFAOYSA-N,3,1,0.265,70,813,434.467,3.049,6,0.42,0.65,1.0,0.03472174628195463,0.03437050236447125,0.2770372147214036,0.23062161606469742,0.14418776985813173
EOS-3-17213,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)n2)cc1F,IIGGUNMVPIOFCQ-UHFFFAOYSA-N,3,1,0.294,10,871,453.416,3.774,6,0.401,0.68,0.404,0.04639846480707285,0.23202659173463094,0.5018247549859502,0.5888047426495785,0.34226363854430814
EOS-3-17214,c1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)cc1,AJVFNFODUJMBCU-UHFFFAOYSA-N,3,1,0.357,32,203,418.42,3.965,6,0.423,0.84,1.0,0.17533068329792337,0.1672863408950723,0.27287368926050304,0.32699952025221024,0.23562255842642724
EOS-3-17215,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1,UUZXWGBGIOVDJN-UHFFFAOYSA-N,3,1,0.557,16,320,418.848,3.214,5,0.432,0.74,1.0,0.6401548900006854,0.5445994105955726,0.43531971763415805,0.44470906723322595,0.5161957713659105
EOS-3-17216,COC(C)CCOc1ncnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,KXCZKTXGSGLDLF-UHFFFAOYSA-N,3,1,0.312,63,792,460.498,2.339,5,0.4,0.69,0.995,0.27641182920978685,0.07425810431087657,0.030515386196970737,0.024629908847919952,0.10145380714138853
EOS-3-17217,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)c5ccncc5Cl)cn4)n23)nn1,VTFMOVZNJWIFPB-UHFFFAOYSA-N,3,1,0.304,50,155,461.848,2.85,5,0.421,0.63,0.982,0.16732917551915563,0.19757898704680968,0.5228308546364198,0.5538859570968405,0.36040624357480644
EOS-3-17218,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nn2)n(C)n1,HFMXTFSYOCTNIA-UHFFFAOYSA-N,3,1,0.305,76,14,446.478,3.414,6,0.405,0.67,1.0,0.06872387087930916,0.06333527516962512,0.15569529161812076,0.15225995476663698,0.110003598108423
EOS-3-17219,Cc1ncc(-c2nnc3cncc(Oc4ncc(-c5cccc(Cl)c5)cc4F)n23)cn1,ANYYCWUQWJQZRG-UHFFFAOYSA-N,3,1,0.43,13,412,433.834,4.537,5,0.411,0.76,1.0,0.7004317730107601,0.7409276266191488,0.7139589472962785,0.732566307998081,0.7219711637310672
EOS-3-17220,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)nc4)n23)cc1,ZMXOQFGKYRGPBS-UHFFFAOYSA-N,3,1,0.588,1,805,428.883,4.789,5,0.374,0.86,1.0,0.936870331025975,0.8126499211842917,0.7271605784387636,0.7082790761428278,0.7962399766979645
EOS-3-17221,Cn1cnc(-c2ccc(F)c(Cl)c2)c1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,KNHMNSCXBVSWCL-UHFFFAOYSA-N,3,1,0.36,96,155,448.849,3.145,5,0.451,0.61,0.631,0.247601261051333,0.32833596052361047,0.43146460146665755,0.4879720375573984,0.3738434651497498
EOS-3-17222,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)ncn1,UZPVQABHNLCGNX-UHFFFAOYSA-N,3,1,0.457,89,463,479.504,2.818,6,0.374,0.81,1.0,0.4088736207251045,0.14053183469261873,0.09852820231649648,0.07944966074977726,0.18184582962099924
EOS-3-17223,Cc1noc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n(C)n2)n1,FRWNRRTVISLDPW-UHFFFAOYSA-N,3,1,0.6,36,996,454.397,3.064,5,0.365,0.75,1.0,0.5372232883284216,0.6020149407168802,0.3769875265574669,0.3053594681653074,0.455396305942019
EOS-3-17224,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccn2)n1,XZAFTCHIGYIYKS-UHFFFAOYSA-N,3,1,0.489,24,910,441.401,3.977,5,0.407,0.72,1.0,0.9157785621273388,0.8419573709821122,0.8916112672195189,0.8695428688917826,0.8797225173051881
EOS-3-17225,COc1nc(-c2nnc3cncc(OCc4cccc(C)n4)n23)ccc1-c1nccn1C,FWEPMEBWWKJZIF-UHFFFAOYSA-N,3,1,0.406,49,551,428.456,2.878,5,0.407,0.72,1.0,0.2661743540538688,0.08784524707011171,0.10902268521691454,0.04363991501610582,0.12667055033925023
EOS-3-17226,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)nc1,OCMGJJFSDAWPEQ-UHFFFAOYSA-N,3,1,0.362,32,219,466.896,3.759,6,0.386,0.73,1.0,0.16733774244397231,0.28317969981495444,0.3060191213761908,0.4416078404495922,0.29953610102117745
EOS-3-17227,COCCN(C)C(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)nc1,HBSUNOKICTUMKW-UHFFFAOYSA-N,3,1,0.311,33,432,455.482,2.152,5,0.367,0.71,0.614,0.011351175382084846,0.003135494482900418,0.035604139538071414,0.019095675416352546,0.017296621204852307
EOS-3-17228,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nn2)c1,WUTQRXHHFLLEIP-UHFFFAOYSA-N,3,1,0.313,76,944,435.476,3.829,6,0.411,0.71,0.999,0.10739496950174765,0.1886265506133918,0.23359433897608115,0.2662857240764855,0.19897539579192652
EOS-3-17229,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cn2)s1,BYSZLNVLHINEHP-UHFFFAOYSA-N,3,1,0.494,59,483,453.89,4.385,5,0.39,0.81,1.0,0.7894506887807553,0.804982523473374,0.5228394215612364,0.5796552669453773,0.6742319751901857
EOS-3-17230,Fc1ccnc(CCOc2cncc3nnc(-c4cncnc4-c4ccc(Cl)cc4)n23)c1,MZFAEIMOXPFOSS-UHFFFAOYSA-N,3,1,0.5,11,490,447.861,4.057,5,0.387,0.75,1.0,0.8245750805290932,0.8806970050030841,0.6342865465012679,0.7191590706599958,0.7646794256733603
EOS-3-17231,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nc(C(F)F)cs5)cnn4)n23)nc1,DZQWYOZAIQDCBG-UHFFFAOYSA-N,3,1,0.28,33,432,465.449,3.064,5,0.42,0.65,0.017,0.1481221300801864,0.13662531697621821,0.28803714618600507,0.1982129394832431,0.19274938318141321
EOS-3-17232,Fc1cc(-c2ncc(-c3nnc4cncc(Nc5ccc(-c6cncnc6)nc5)n34)cn2)ccn1,KLEPOEGNXWIMQW-UHFFFAOYSA-N,3,1,0.376,94,989,463.44,3.378,6,0.379,0.73,1.0,0.005902611198684121,0.023610444794736483,0.3730553080666164,0.31156192173257485,0.17853257144815296
EOS-3-17233,Cc1csc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)n1,OIZTXVWXQRGHCM-UHFFFAOYSA-N,3,1,0.368,29,849,415.442,2.174,5,0.471,0.71,0.691,0.10240901925844699,0.09403056678774586,0.02501542046467,0.013458638886985128,0.058728411349461995
EOS-3-17234,Fc1ccc(-c2cc(-c3nnc4cncc(COc5cnnc(Cl)c5)n34)ccn2)nc1,DEALRDVHOAKSDE-UHFFFAOYSA-N,3,1,0.38,24,767,434.822,3.41,5,0.414,0.67,1.0,0.5064851620862175,0.5218113905832362,0.5765883078610102,0.6133661160989651,0.5545627441573573
EOS-3-17235,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccnn6)nc5)n34)cc2)c1,RUUJZGFWOSGPCN-UHFFFAOYSA-N,3,1,0.38,93,774,446.449,4.511,6,0.393,0.76,1.0,0.2848502501542046,0.45456103077239396,0.6933469261873758,0.7456565691179494,0.5446036940579809
EOS-3-17236,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(F)cn5)n34)nc(C(F)F)n2)nc1,NVTQXTRYXAIERS-UHFFFAOYSA-N,3,1,0.283,50,243,435.373,3.485,5,0.422,0.65,0.98,0.31135631553697485,0.4190939620313892,0.37306387499143306,0.36880611335754915,0.36808006647933655
EOS-3-17237,Cc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)nn1,PEMSGQMBCNJYCW-UHFFFAOYSA-N,3,1,0.523,92,185,440.427,1.42,5,0.409,0.62,1.0,0.43854944829004183,0.17139846480707285,0.04417963127955589,0.020457816462202728,0.16864634020971833
EOS-3-17238,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)s1,BJQVEVBNPPAJEZ-UHFFFAOYSA-N,3,1,0.288,25,213,452.507,3.476,6,0.4,0.69,1.0,0.05779247481324104,0.11003358234528134,0.03561270646288808,0.05571927900760743,0.06478951065725448
EOS-3-17239,Cc1ccc(-c2nnc3cncc(OCc4c(C)ccnc4-c4ncc(F)cn4)n23)cn1,QSMIWJBGFGHYHG-UHFFFAOYSA-N,3,1,0.483,55,930,428.431,3.373,5,0.42,0.69,1.0,0.789459255705572,0.7177455280652457,0.2728822561853197,0.22446199712151327,0.5011372592694127
EOS-3-17240,COCc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C)cn5)n34)n2)cn1,IKAPPPRLRQXWOZ-UHFFFAOYSA-N,3,1,0.411,89,348,439.479,3.677,5,0.379,0.69,1.0,0.4132941539305051,0.24245253923651566,0.36165273113563157,0.24231546843944898,0.31492872318552534
EOS-3-17241,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)cc2)nc1,BUHDIMVEXWMYPX-UHFFFAOYSA-N,3,1,0.295,64,495,443.474,4.076,6,0.401,0.72,1.0,0.10241758618326366,0.08462408333904461,0.2122883969570283,0.2364299910903982,0.1589400143924337
EOS-3-17242,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(=O)n(C)n5)cc4F)n23)n1,UMPMIKVKMBHVOJ-UHFFFAOYSA-N,3,1,0.479,37,563,458.457,2.411,5,0.381,0.71,0.999,0.49641902542663285,0.47653519292714686,0.22257727366184635,0.18726440956754165,0.345698975395792
EOS-3-17243,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncc(F)c5)ns4)n23)nc1,XSEKEPALQJUYDC-UHFFFAOYSA-N,3,1,0.36,33,647,446.471,2.794,5,0.442,0.58,0.724,0.1344493180727846,0.1759132341854568,0.18787266122952506,0.16557295593173874,0.1659520423548763
EOS-3-17244,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1,DZGMFIBPNHEXLL-UHFFFAOYSA-N,3,1,0.466,55,617,447.846,2.674,5,0.383,0.65,1.0,0.5115567815776849,0.5779504489068604,0.21229696388184496,0.1737029675827565,0.3688767904872867
EOS-3-17245,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5nccc(C(F)(F)F)n5)cn4)n23)cc1,DPFWFLSKBAIGMD-UHFFFAOYSA-N,3,1,0.494,27,343,464.411,3.945,5,0.385,0.75,1.0,0.8485967377150299,0.8350866972791446,0.8094030566787745,0.6336097594407512,0.781674062778425
EOS-3-17246,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(CF)cn5)n34)cn2)nc1,IRNKCSBDUQNIAC-UHFFFAOYSA-N,3,1,0.5,7,85,428.431,3.395,5,0.405,0.71,1.0,0.5320488657391542,0.5264375299842369,0.32799328353094376,0.2509851963539168,0.40936621890206293
EOS-3-17247,Cc1ncc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cn1,LDVVGYQLJBOLDX-UHFFFAOYSA-N,3,1,0.265,94,952,434.427,1.989,6,0.405,0.64,0.783,0.004977383318483997,0.011196970735384826,0.029495922143787268,0.03535569871838805,0.020256493729011036
EOS-3-17249,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12,SEJALIOJGZSBOY-UHFFFAOYSA-N,3,1,0.565,37,460,436.476,3.112,5,0.403,0.69,1.0,0.30356898087862383,0.4719176204509629,0.2155352614625454,0.2101895003769447,0.3003028407922692
EOS-3-17250,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nc4)n23)cc1,UYRVNIKLYONVNM-UHFFFAOYSA-N,3,1,0.649,97,539,415.844,3.876,5,0.43,0.81,1.0,0.9427986429991091,0.9543468576519772,0.5732472071825098,0.6133746830237817,0.7709418477143445
EOS-3-17251,Fc1cncc(-c2ccnc(-c3nnc4cncc(Cc5ccc(Cl)c(F)c5)n34)c2)c1,LJSUEHFOWDCFPJ-UHFFFAOYSA-N,3,1,0.351,59,358,434.837,4.771,5,0.407,0.78,0.997,0.39390720307038585,0.43709307107120826,0.936870331025975,0.9572596120896443,0.6812825543143033
EOS-3-17252,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)nc1,HGBFVVAQVRPUBL-UHFFFAOYSA-N,3,1,0.295,42,902,466.415,3.441,6,0.385,0.7,1.0,0.3061733260228908,0.3430368035090124,0.4813155369748475,0.5473665273113563,0.4194730484545267
EOS-3-17253,CCn1c(-c2cnccn2)nnc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)cn3)n12,SYEIGYZKJOUVBG-UHFFFAOYSA-N,3,1,0.256,99,852,464.497,2.631,6,0.378,0.69,0.689,0.04501062298677267,0.021323075868686175,0.013398670413268454,0.01165101775066822,0.022845846754848877
EOS-3-17254,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)c5)n34)cc2)s1,DNTROYNMNMZCCZ-UHFFFAOYSA-N,3,1,0.317,98,150,438.48,3.261,6,0.412,0.65,1.0,0.0009766294291001301,0.03116647248303749,0.12857240764855046,0.13109965046946748,0.07295379000753889
EOS-3-17255,Cc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4cccc(C#N)n4)cc3)n12,OXSXBYZCQZWVNS-UHFFFAOYSA-N,3,1,0.319,25,791,470.5,3.891,6,0.38,0.78,1.0,0.1481306970050031,0.14054040161743542,0.4392005345761086,0.4447176341580426,0.2931473168391474
EOS-3-17256,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)nc(C)n1,SDKYKJBGNLIFMK-UHFFFAOYSA-N,3,1,0.375,44,971,448.849,4.24,5,0.402,0.73,0.995,0.6518915769995203,0.6166301144541155,0.5163114248509355,0.5174079912274689,0.5755602768830101
EOS-3-17257,Fc1cc(-c2c[nH]nn2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)cn3)n12,VYTKGCXJUFRVMV-UHFFFAOYSA-N,3,1,0.264,96,693,424.403,3.168,6,0.445,0.71,0.804,0.17265780275512302,0.2729936262079364,0.5054057295593174,0.5343191008155712,0.371344064834487
EOS-3-17258,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nn[nH]n5)nn4C)n23)cc1,XYLSPCDCQRRDLG-UHFFFAOYSA-N,3,1,0.282,98,890,425.42,1.167,6,0.439,0.65,1.0,0.061416284010691526,0.06334384209444179,0.026103419916386813,0.02642039613460352,0.04432098553903091
EOS-3-17259,Cc1ncc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)c(-c2ccncc2)n1,GLQWBYJZCMXNIJ-UHFFFAOYSA-N,3,1,0.524,89,731,420.436,3.402,5,0.425,0.74,1.0,0.7609228291412514,0.6211791515317662,0.5363751627715715,0.4698358577205126,0.5970782502912754
EOS-3-17260,Fc1cc(F)cc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)c1,BWMTWANOZUEHNL-UHFFFAOYSA-N,3,1,0.313,3,783,453.416,3.774,6,0.401,0.69,1.0,0.08522376807621136,0.2779453087519704,0.6342951134260846,0.6971249400315263,0.4236472825714481
EOS-3-17261,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cn5)n34)nn2)o1,VZRMAJFRBFXDOX-UHFFFAOYSA-N,3,1,0.274,99,14,438.415,1.797,6,0.396,0.64,0.939,0.05433143718730724,0.03117503940785416,0.0159944486327188,0.012404907134534987,0.0284764580906038
EOS-3-17262,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)c(F)c1,XRMVYMQLTCUGQM-UHFFFAOYSA-N,3,1,0.459,7,817,443.402,1.855,5,0.415,0.63,1.0,0.5423805770680556,0.38134809128915087,0.33187410047289423,0.24232403536426564,0.37448170104859163
EOS-3-17263,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)cn2)cn1,ZJOJYMZVUBYAGD-UHFFFAOYSA-N,3,1,0.255,86,151,452.869,3.544,6,0.373,0.71,1.0,0.007958673154684395,0.1263535741210335,0.3653193749571654,0.4194195051744226,0.22976278185182647
EOS-3-17264,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)n2)cc1,WSNPFAUMDWDQBA-UHFFFAOYSA-N,3,1,0.267,10,952,419.412,2.286,6,0.423,0.72,1.0,0.012996024946885067,0.019224179288602563,0.04120690836817216,0.06307826742512508,0.03412634500719622
EOS-3-17265,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5nncs5)c4)n23)nc1,NTUBSSJQTMEHPZ-UHFFFAOYSA-N,3,1,0.539,72,628,435.9,3.98,5,0.398,0.72,1.0,0.7126396408745117,0.7883455554794051,0.3690888218764992,0.4257761633883901,0.5739625454047015
EOS-3-17266,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnn5)s4)n23)nc1,XWZHJMICSOYJSR-UHFFFAOYSA-N,3,1,0.362,33,53,472.494,1.966,6,0.373,0.73,0.999,0.21744568569666234,0.110042149270098,0.01192515934480159,0.013921252827085189,0.08833356178466178
EOS-3-17267,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)nc1,DGEKOJBAVSEQLK-UHFFFAOYSA-N,3,1,0.266,10,37,436.414,3.03,6,0.414,0.65,1.0,0.007967240079501062,0.06335240901925844,0.26199369474333495,0.3494705640463299,0.1706959769721061
EOS-3-17268,CNC(=O)c1ccc(-c2nnc3cncc(COCc4cc(-c5cncnn5)ncn4)n23)cc1F,NSIXUXOUTWVSQB-UHFFFAOYSA-N,3,1,0.404,85,768,472.444,1.649,5,0.371,0.71,1.0,0.3872678363374683,0.3037317524501405,0.21554382838736208,0.15226852169145363,0.26470298471660614
EOS-3-17269,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)cc1,HFHKIBIKPYFGEY-UHFFFAOYSA-N,3,1,0.382,3,115,441.842,3.742,6,0.406,0.7,1.0,0.10981084230004798,0.24246110616133232,0.3769960934822836,0.47877116030429717,0.3020098005619903
EOS-3-17270,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cn5)nc4)n23)cc1,KKMRPVQUPCMPCS-UHFFFAOYSA-N,3,1,0.294,42,369,464.468,3.728,6,0.379,0.74,1.0,0.29041018436022203,0.2572390514700843,0.20869028853402782,0.25099376327873346,0.2518333219107669
EOS-3-17271,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)c1,AYBWAOCQGKSDDR-UHFFFAOYSA-N,3,1,0.433,87,207,432.394,2.938,5,0.403,0.66,1.0,0.6228754026454664,0.5308409293400042,0.5396648619011719,0.5857292166403948,0.5697776026317593
EOS-3-17272,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,WUZMZWAGACLMQC-UHFFFAOYSA-N,3,1,0.407,46,915,448.849,3.718,5,0.4,0.67,1.0,0.7312555685011308,0.5831591391953944,0.4813241038996642,0.5238160509903365,0.5798887156466315
EOS-3-17273,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)nn4)n23)cc1Cl,VTFFKBIGEZUVKA-UHFFFAOYSA-N,3,1,0.549,73,540,435.81,2.805,5,0.41,0.63,1.0,0.8140291960797752,0.9119491467342883,0.3806113357549174,0.47309985607566307,0.644922383661161
EOS-3-17274,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cc5F)c4)n23)n1,GYKVACNYVFGPGJ-UHFFFAOYSA-N,3,1,0.553,24,912,431.406,3.809,5,0.418,0.71,1.0,0.6457405249811528,0.5589832773627579,0.6312709889658008,0.5857377835652114,0.6054331437187307
EOS-3-17275,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c(F)c1,GCIQYZOAIQRLLA-UHFFFAOYSA-N,3,1,0.329,64,27,468.431,3.384,6,0.387,0.71,1.0,0.18132753066959084,0.2938797889109725,0.3690973888013159,0.5040778562127339,0.3370956411486533
EOS-3-17276,COCc1ccc(-c2nnc3cncc(Oc4ccc(-c5cccc(F)c5)cn4)n23)cn1,GIKUMGCNXKONCJ-UHFFFAOYSA-N,3,1,0.402,1,412,428.427,4.326,5,0.398,0.79,1.0,0.6488331848399699,0.6936896031800425,0.747498457953533,0.6859194023713248,0.6939851620862175
EOS-3-17277,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cc2F)o1,BFFHUQFUPHDDNE-UHFFFAOYSA-N,3,1,0.3,10,620,439.414,3.537,6,0.41,0.68,1.0,0.059574395175107944,0.20232506339524364,0.44267013912685904,0.43542252073195803,0.28499802960729215
EOS-3-17278,COc1ncc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)cc1-c1cncn1C,NPWKLUJXYMHJNO-UHFFFAOYSA-N,3,1,0.44,13,995,451.849,4.18,5,0.395,0.75,1.0,0.5918374340346789,0.5538259886231238,0.7139675142210952,0.6538791035569872,0.6283775101089714
EOS-3-17279,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)c2)nn1,ONPRBWHPYSAPNR-UHFFFAOYSA-N,3,1,0.424,53,785,429.419,2.768,5,0.416,0.67,0.984,0.420207662257556,0.41910252895620587,0.2442001918991159,0.1954715235419094,0.3197454766636968
EOS-3-17280,Cn1ncc(-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)c1-c1ccc(F)cc1,BATJWOWZPZPPEU-UHFFFAOYSA-N,3,1,0.333,8,952,439.418,2.369,6,0.411,0.64,1.0,0.015300527722568708,0.12636214104585017,0.11145569186484819,0.19548009046672607,0.1121496127749983
EOS-3-17281,Cn1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5Cl)n34)cn2)cn1,JXEKJRJZKYRXKX-UHFFFAOYSA-N,3,1,0.305,42,780,456.857,3.352,6,0.392,0.69,1.0,0.16734630936878897,0.24757556027688302,0.3172503598108423,0.35903981906654786,0.2728030121307655
EOS-3-17282,Cc1cc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)nn1C,QWQXTENWMQRYKF-UHFFFAOYSA-N,3,1,0.461,4,884,433.422,3.752,5,0.42,0.72,1.0,0.43161880611335757,0.45882735933109453,0.7063515180590775,0.665255979713522,0.565513415804263
EOS-3-17283,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,VLSFXUYUGAMFGA-UHFFFAOYSA-N,3,1,0.411,7,511,431.847,2.974,5,0.413,0.64,0.999,0.5348245493797547,0.47654375985196357,0.317258926735659,0.33016071550956066,0.4146969878692345
EOS-3-17284,Fc1ccc(CCOc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cc1F,ZMLNUGXZLXRRFF-UHFFFAOYSA-N,3,1,0.631,84,360,431.406,3.543,5,0.406,0.7,1.0,0.8115447878829415,0.7671595504077856,0.6745682269892399,0.680008224247824,0.7333201973819476
EOS-3-17285,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)cn1,XOSOXXKKUVAOOT-UHFFFAOYSA-N,3,1,0.358,51,296,432.835,2.369,5,0.408,0.64,0.928,0.4964275923514495,0.4545695976972106,0.09593242409704612,0.10209204304023028,0.28725541429648416
EOS-3-17286,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)ncn5)n34)cc2)nc1,LNCPMNLJQLBLMK-UHFFFAOYSA-N,3,1,0.321,94,566,447.437,3.906,6,0.4,0.69,1.0,0.35253752313069703,0.3906860393393188,0.6343036803509012,0.6367195531492016,0.5035616989925297
EOS-3-17287,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)ncn5)n34)cn2)c1,WDYLYDCRRCLWMX-UHFFFAOYSA-N,3,1,0.349,94,566,447.437,3.906,6,0.4,0.69,0.999,0.2311013638544308,0.37665341648961687,0.619894112809266,0.6454235487629361,0.46826811047906247
EOS-3-17288,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5nn[nH]n5)cc4)n23)cc1Cl,GCWLNXUFCVYDQT-UHFFFAOYSA-N,3,1,0.627,43,499,470.827,3.805,5,0.382,0.78,1.0,0.8902062915495854,0.8807055719279008,0.8869936947433349,0.8629377698581318,0.8802108320197382
EOS-3-17289,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,PMGMJYYTQKEERG-UHFFFAOYSA-N,3,1,0.512,27,250,434.41,3.498,5,0.404,0.71,1.0,0.6519001439243369,0.517150983482969,0.6661640737440888,0.5636265506133918,0.5997104379411966
EOS-3-17290,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnnc5)n4)n23)nc1,CJULFCDWVLMSIN-UHFFFAOYSA-N,3,1,0.26,70,387,433.439,2.501,6,0.412,0.62,1.0,0.0630954012747584,0.03720615447878829,0.12858097457336715,0.140060653827702,0.09223579603865396
EOS-3-17291,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]cn5)cc4)n23)nc1,OUNQGYRVJRQSBW-UHFFFAOYSA-N,3,1,0.294,96,523,446.421,3.238,5,0.414,0.68,1.0,0.20091152080049346,0.15185730930025357,0.601792200671647,0.5207319580563361,0.3688232472071825
EOS-3-17292,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nn2)nn1C,VXYWLPASAQCKCG-UHFFFAOYSA-N,3,1,0.466,36,404,450.413,2.597,5,0.384,0.7,1.0,0.545002056061956,0.4992546775409499,0.14356452607771913,0.1446953601535193,0.33312915495853607
EOS-3-17293,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncn(C)n5)ncc4Cl)n23)cn1,HSCSMPZLCSADFH-UHFFFAOYSA-N,3,1,0.462,92,45,433.863,2.918,5,0.416,0.66,1.0,0.532057432663971,0.639803646083202,0.24067061887464875,0.23353437050236447,0.4115165170310466
EOS-3-17294,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)cc1F)N1CCOCC1,JJIQUACGOXLWRC-UHFFFAOYSA-N,3,1,0.391,52,229,482.479,2.922,6,0.385,0.84,1.0,0.05958296209992461,0.021331642793502845,0.049311219244739905,0.1496641765471866,0.06997250017133849
EOS-3-17295,CCn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)no1,WYDFJSFWCOVGRI-UHFFFAOYSA-N,3,1,0.295,98,882,439.443,2.52,6,0.397,0.65,1.0,0.09260845726817901,0.0669847851415256,0.03431910081557124,0.03536426564320472,0.057319152217120146
EOS-3-17296,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nc5ccccc5s4)n23)cc1,XJHIXHAWRIXRFB-UHFFFAOYSA-N,3,1,0.333,30,515,425.452,4.664,6,0.41,0.85,0.745,0.22568706737029676,0.4004437667055034,0.44616544445205947,0.5978257144815297,0.41753049825234734
EOS-3-17297,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)n1,HAOWBVHCCDBRJZ-UHFFFAOYSA-N,3,1,0.304,25,219,464.468,3.553,6,0.389,0.68,0.91,0.1783034062093071,0.29874580220683983,0.2513792748954835,0.2957987800699061,0.25605681584538414
EOS-3-17299,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)nc5)n34)nn2)c1,KFMJUWQEXAQOOU-UHFFFAOYSA-N,3,1,0.327,10,705,425.387,3.228,6,0.423,0.7,0.999,0.03753169762182167,0.15186587622507025,0.4167037900075389,0.46984442464532933,0.26898644712494
EOS-3-17300,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cc(=O)n(C)cn5)c(F)c4)n23)n1,POIFOEGYEJTGOL-UHFFFAOYSA-N,3,1,0.511,4,677,449.471,3.035,5,0.407,0.67,1.0,0.49643615927626616,0.45457816462202727,0.2770457816462203,0.24233260228908232,0.367598176958399
EOS-3-17301,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cn1,RPQLWTZOCVATNL-UHFFFAOYSA-N,3,1,0.494,36,728,436.386,2.288,5,0.394,0.67,1.0,0.5139126859022686,0.4588359262559112,0.2987972037557398,0.3019498320882736,0.39337391200054833
EOS-3-17302,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc1,JXGUDNHEAUZQEH-UHFFFAOYSA-N,3,1,0.612,15,922,419.448,3.741,5,0.413,0.77,1.0,0.8750428346240834,0.8698427112603659,0.6933554931121925,0.6594476046878213,0.7744221609211157
EOS-3-17303,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)nn5C)n34)cc2)ccn1,PCYUEVFFOVBRCD-UHFFFAOYSA-N,3,1,0.356,93,774,444.502,4.624,6,0.394,0.79,1.0,0.0877167431978617,0.09706325817284628,0.3208399013090261,0.35562161606469744,0.2153103796861079
EOS-3-17304,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)nc1,WKNUEOLLQGPGKN-UHFFFAOYSA-N,3,1,0.295,38,42,419.452,3.644,6,0.468,0.72,1.0,0.14514084024398602,0.08463265026386128,0.36910595572613253,0.342891165787129,0.23544265300527722
EOS-3-17305,COc1ccc(-c2ncccn2)cc1-c1nnc2cncc(OCc3cc(F)cnc3OC)n12,JLPZOUWERLJBFZ-UHFFFAOYSA-N,3,1,0.484,16,300,459.441,3.379,5,0.362,0.77,1.0,0.7521759989034337,0.5779590158316771,0.4568912343225276,0.2717942567336029,0.5147051264478103
EOS-3-17306,OC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccon5)c4)n23)cn1,DXCSUYFEVNGYKL-UHFFFAOYSA-N,3,1,0.489,24,805,437.366,2.857,5,0.427,0.69,1.0,0.6457490919059694,0.5495767939140566,0.857437804125831,0.6971335069563429,0.68747429922555
EOS-3-17307,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)cc1)N1CCOCC1,AEZPWZNSAASYEP-UHFFFAOYSA-N,3,1,0.425,62,376,480.503,4.132,6,0.385,0.89,1.0,0.059591529024741276,0.02839078884243712,0.13148516208621752,0.3206514289630594,0.13502972722911383
EOS-3-17308,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)n1,CZOIUSQKTYNZJA-UHFFFAOYSA-N,3,1,0.297,76,356,452.417,2.035,6,0.39,0.63,0.992,0.06310396819957508,0.15580666164073745,0.045952984716606124,0.11079603865396477,0.09391491330272085
EOS-3-17309,Cc1nn(C)c(C)c1-c1cccc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,UAFJLJJVIKODHE-UHFFFAOYSA-N,3,1,0.506,20,846,426.484,3.22,5,0.411,0.7,1.0,0.2958501816188061,0.14792509080940305,0.12025392365156604,0.07945822767459393,0.16087185593859227
EOS-3-17310,Cc1ccc(-c2nnc3cncc(Cn4ccc(-c5nnn(Cc6cccc(F)c6)n5)n4)n23)cc1,AFNTVMIMHGAVAI-UHFFFAOYSA-N,3,1,0.369,14,740,466.484,3.185,6,0.371,0.75,1.0,0.29041875128503875,0.3379052155438284,0.13765334795421835,0.22174628195462956,0.24693089918442876
EOS-3-17311,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ccn4)n23)cn1,VNVSKZSVJBIFPJ-UHFFFAOYSA-N,3,1,0.529,7,82,443.402,1.855,5,0.415,0.64,1.0,0.5372318552532382,0.3430453704338291,0.16847714344458914,0.12029675827564937,0.29226278185182647
EOS-3-17312,CNC(=O)c1ccc(-c2nnc3cncc(CCCc4ccc(-c5cccnc5F)nn4)n23)cn1,RIUNEHQEFXZEGO-UHFFFAOYSA-N,3,1,0.39,85,290,469.484,2.712,5,0.361,0.76,1.0,0.2476098279761497,0.2779538756767871,0.07517476526626002,0.06988040572955932,0.16765471866218903
EOS-3-17313,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4)n23)cn1,SDEDPSDBIPRAQJ-UHFFFAOYSA-N,3,1,0.363,96,204,475.434,4.049,5,0.398,0.81,0.722,0.34594099102186276,0.47192618737577957,0.72444486327188,0.7082876430676445,0.5626499211842917
EOS-3-17314,COc1ccc(-c2nnc3cncc(-c4cnc(-c5cc(F)ccc5F)cc4F)n23)cn1,JSYNUPXALKCAIJ-UHFFFAOYSA-N,3,1,0.341,45,46,434.381,4.341,5,0.419,0.72,1.0,0.547529298882873,0.7498543622781166,0.9244825577410732,0.9081625659653211,0.7825071962168461
EOS-3-17315,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)ccc1F,IWQDQTUKMHLDPS-UHFFFAOYSA-N,3,1,0.535,24,786,424.399,3.233,5,0.422,0.73,1.0,0.772513878418203,0.8126584881091083,0.5732557741073264,0.5207405249811528,0.6697921664039476
EOS-3-17316,FC(F)n1cc(-n2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)cn1,TWGTUCIUHKBKKL-UHFFFAOYSA-N,3,1,0.593,36,404,443.805,3.196,5,0.397,0.7,1.0,0.3459495579466795,0.6211877184565828,0.6228240010965663,0.642459392776369,0.5581051675690494
EOS-3-17317,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)c1,BJZDTAZCKYFWJR-UHFFFAOYSA-N,3,1,0.277,94,892,433.439,2.501,6,0.412,0.67,0.999,0.07654547323692687,0.028399355767253786,0.1090312521417312,0.1353745459529847,0.08733765677472415
EOS-3-17318,Fc1ccc(-c2nnc3cncc(OCCc4ncc(Cl)nn4)n23)cc1-c1ccccn1,DXWDUCQNDDXHSH-UHFFFAOYSA-N,3,1,0.505,37,125,448.849,3.452,5,0.389,0.67,1.0,0.9198564183400727,0.9119577136591049,0.3390531834692619,0.46052361044479473,0.6578477314783087
EOS-3-17319,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,GWLQYDMSQOCVLM-UHFFFAOYSA-N,3,1,0.568,4,534,433.859,4.086,5,0.408,0.78,0.997,0.82458364745391,0.841965937906929,0.2805582208210541,0.3206599958878761,0.5669419505174423
EOS-3-17320,COc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ncccc1F,AIWZPIZKNFPDTO-UHFFFAOYSA-N,3,1,0.505,49,769,443.442,3.413,5,0.377,0.72,0.998,0.7312641354259475,0.5495853608388733,0.2880457131108217,0.23643855801521485,0.45133344184771435
EOS-3-17321,COc1nc(-c2cncc(F)c2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,UEZUOEAZBYCJRO-UHFFFAOYSA-N,3,1,0.517,35,710,443.442,3.413,5,0.377,0.72,1.0,0.7839678568980879,0.64983551504352,0.46753992186964566,0.3786495099719005,0.5699982009457885
EOS-3-17322,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)cn4)n23)c(F)c1,DYOZIARBIMVYTD-UHFFFAOYSA-N,3,1,0.427,92,399,459.445,2.06,5,0.409,0.65,1.0,0.4044102528956206,0.3576519772462477,0.2988057706805565,0.1681858680008224,0.30726346720581177
EOS-3-17323,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nn2C)nn1,SUSCXZNRKGYUKI-UHFFFAOYSA-N,3,1,0.516,95,569,431.435,2.446,5,0.403,0.69,1.0,0.41110102117743813,0.2730021931327531,0.14357309300253582,0.1628743746144884,0.24763767048180388
EOS-3-17324,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,UJJLNTITASWYFI-UHFFFAOYSA-N,3,1,0.289,8,474,447.466,2.984,6,0.392,0.66,1.0,0.10499623055308066,0.04800047974778973,0.028313686519087108,0.04904564457542321,0.05758901034884518
EOS-3-17325,Fc1ccnc(-c2ncncc2-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,YUCIZSNRTOIKNM-UHFFFAOYSA-N,3,1,0.5,24,486,434.822,3.41,5,0.387,0.71,1.0,0.5718250976629429,0.6211962853813995,0.49477417586183264,0.5701545473236926,0.5644875265574669
EOS-3-17326,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccs5)cn4)n23)cc1F,MQDYXRUUEPYDKL-UHFFFAOYSA-N,3,1,0.371,89,310,473.493,4.133,6,0.395,0.84,1.0,0.5423891439928723,0.35766054417106435,0.24420875882393256,0.2748269481187033,0.3547713487766431
EOS-3-17327,N#Cc1cc(-c2ccc(F)cc2)nc(-c2nnc3cncc(OCCc4ccncc4F)n23)n1,NGLJXDCLAMJNFA-UHFFFAOYSA-N,3,1,0.511,35,161,456.416,3.415,5,0.382,0.69,1.0,0.8848176958399013,0.7315982454937976,0.6523199232403536,0.6859279692961414,0.7386659584675486
EOS-3-17328,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)cn5)nc4)n23)ccc1Cl,CRRPNSQZXVASOH-UHFFFAOYSA-N,3,1,0.523,55,109,447.861,4.323,5,0.396,0.76,1.0,0.8710420807346995,0.9138595709684052,0.7729165238845864,0.7559368788979508,0.8284387636214106
EOS-3-17329,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)c1,SQEZQUUCTWQRED-UHFFFAOYSA-N,3,1,0.293,10,673,440.858,3.478,6,0.446,0.65,0.877,0.01711671578370228,0.17592180111027345,0.40949900623672125,0.5040864231375506,0.2766559865670619
EOS-3-17330,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)c(F)c1,ZFWSLSRJOYSPFR-UHFFFAOYSA-N,3,1,0.506,73,980,437.385,3.583,5,0.418,0.67,1.0,0.722071825097663,0.6447724624768693,0.870459529847166,0.8440477006373792,0.7703378795147693
EOS-3-17331,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)n2)c1,WFOSASTZNKMCNC-UHFFFAOYSA-N,3,1,0.322,10,952,436.414,3.03,6,0.414,0.63,1.0,0.010588719073401412,0.17593036803509013,0.15570385854293742,0.26304742649578505,0.1513175930368035
EOS-3-17332,N#Cc1cc(-c2nnc3cncc(Oc4ccc(-c5ncc(F)cn5)cn4)n23)cc(Cl)c1F,OMOCPMYASKPUJR-UHFFFAOYSA-N,3,1,0.387,73,82,462.807,4.239,5,0.389,0.76,1.0,0.8789921869645672,0.9057124254677541,0.8870022616681515,0.8794719347543006,0.8877947022136934
EOS-3-17333,Cc1nnc(-c2ncc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)n1C,CJBHFPDFQBTJFE-UHFFFAOYSA-N,3,1,0.356,85,976,427.432,0.77,5,0.428,0.64,1.0,0.05780104173805771,0.03437906928928792,0.004866013295867316,0.0015506133918168734,0.024649184428757458
EOS-3-17334,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cc(F)ncn5)cn4)n23)nc1,WJKJQZDNQJGKFG-UHFFFAOYSA-N,3,1,0.402,7,296,444.39,1.25,5,0.377,0.66,0.998,0.4714635734356795,0.2273490507847303,0.1314937290110342,0.08809368788979507,0.22960001028030977
EOS-3-17335,Cn1nc(-c2ccnn2C)cc1Oc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,FUGXAKHKPVEETR-UHFFFAOYSA-N,3,1,0.379,67,622,450.466,3.175,6,0.393,0.72,1.0,0.3525460900555137,0.227357617709547,0.17814920156260708,0.12248989102871634,0.220135700089096
EOS-3-17336,Fc1cccc(-c2cccnc2-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1,UNPFZBDDVMDKQH-UHFFFAOYSA-N,3,1,0.333,69,152,434.438,4.445,6,0.44,0.71,1.0,0.17831197313412378,0.26267048180385166,0.6933640600370091,0.7637242135563018,0.4745176821328216
EOS-3-17337,Fc1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,ACCHBNWQSYSTFL-UHFFFAOYSA-N,3,1,0.375,69,152,446.449,4.511,6,0.393,0.74,1.0,0.3113648824617915,0.42789219381810706,0.6284867384003838,0.7082962099924611,0.5190100061681858
EOS-3-17338,COc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(F)c(C)n3)n12,QWIAXSQUIMCLNH-UHFFFAOYSA-N,3,1,0.511,1,61,442.454,4.283,5,0.388,0.79,1.0,0.7004403399355768,0.6166386813789322,0.6523284901651704,0.5142810636693852,0.6209221437872662
EOS-3-17339,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)no4)n23)cn1,DEHQSALSXRIVRF-UHFFFAOYSA-N,3,1,0.318,86,812,440.402,2.838,6,0.407,0.68,1.0,0.25800150777876774,0.27796244260160374,0.14975841272016996,0.16288294153930505,0.21215132615996163
EOS-3-17340,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccncc5)n34)cc2F)cn1,XCPBYSZQRUZZSK-UHFFFAOYSA-N,3,1,0.595,97,183,417.379,3.501,5,0.432,0.77,1.0,0.857386402576931,0.7131279555890617,0.8116218902062915,0.7734905078473031,0.7889066890548968
EOS-3-17341,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)c1,YPZFJLQLBXODAW-UHFFFAOYSA-N,3,1,0.359,31,211,447.89,3.135,5,0.374,0.69,1.0,0.3265369063121102,0.27301076005756975,0.17169830717565623,0.19548865739154273,0.24168365773421974
EOS-3-17342,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4Cl)n23)cc1C,BWMYELUOOJCSPZ-UHFFFAOYSA-N,3,1,0.337,96,648,473.899,4.376,5,0.416,0.8,1.0,0.3315399904050442,0.3138235898841752,0.6687512850387225,0.6276728805428003,0.48544693646768555
EOS-3-17343,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)cc1,QIZIMAMTUDJTIF-UHFFFAOYSA-N,3,1,0.478,93,228,460.501,4.324,6,0.378,0.78,1.0,0.18133609759440752,0.1366338839010349,0.5363837296963881,0.5105544513741347,0.34122704064149134
EOS-3-17344,FC(F)(F)c1cc(COc2cncc3nnc(-c4ccncc4)n23)nc(-c2ccncn2)c1,AZBXHLPCMKFKJL-UHFFFAOYSA-N,3,1,0.5,27,486,450.384,3.636,5,0.4,0.68,1.0,0.6200825851552326,0.6839747104379412,0.9236344321842231,0.8262798985676102,0.7634929065862517
EOS-3-17345,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cn(C)nc5C)ncc4F)n23)cc1F,UBTSEMPWAIKKDH-UHFFFAOYSA-N,3,1,0.35,85,81,431.45,4.073,5,0.429,0.72,1.0,0.2634757727366185,0.2678791720923857,0.7139760811459118,0.6594561716126379,0.4761967993968885
EOS-3-17346,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)cc1,BZIVGIZSUBUXNC-UHFFFAOYSA-N,3,1,0.353,39,527,449.438,2.295,6,0.386,0.67,0.947,0.021794256733602906,0.016045850181618807,0.036940579809471595,0.04242341169213899,0.029301024604208078
EOS-3-17348,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4cc(F)cc(OC)n4)n23)c(F)c1,NNNCJCRZOFEBAG-UHFFFAOYSA-N,3,1,0.294,22,844,434.41,3.419,5,0.418,0.72,0.977,0.29585874854362276,0.357669111095881,0.36532794188198203,0.36881468028236586,0.34691762045096297
EOS-3-17349,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)ccn1,HFJQSBMPRJFBGN-UHFFFAOYSA-N,3,1,0.273,99,286,436.443,1.839,6,0.406,0.63,1.0,0.07454937975464328,0.02361901171955315,0.03976766499897197,0.03869679939688849,0.04415821396751422
EOS-3-17350,Clc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)nn1,TYCIMIURXYZHOB-UHFFFAOYSA-N,3,1,0.467,18,88,431.847,2.708,5,0.4,0.62,1.0,0.48905147008429856,0.4945000342676993,0.08166849427729422,0.14006922075251868,0.3013223048454527
EOS-3-17351,c1ccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccccn6)cn5)n34)nn2)cc1,YYWNQHKPSJAPMY-UHFFFAOYSA-N,3,1,0.284,10,37,418.424,2.891,6,0.429,0.75,1.0,0.0013193064217668425,0.0024929751216503323,0.137661914879035,0.19297854842025908,0.08361318621067781
EOS-3-17352,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)c1,JQENKZAIRLWNQX-UHFFFAOYSA-N,3,1,0.307,10,952,453.857,2.939,6,0.396,0.65,0.878,0.008498389418134467,0.12969467479953395,0.14976697964498664,0.27180282365841957,0.13994071688026866
EOS-3-17353,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc2)n1,FYNPPRILEKXEBN-UHFFFAOYSA-N,3,1,0.396,53,602,446.862,2.412,5,0.383,0.66,0.999,0.5527893907203071,0.644781029401686,0.0645603454184086,0.0845983825645946,0.3366822870262491
EOS-3-17354,Clc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,ZYISGJPZTMFCMD-UHFFFAOYSA-N,3,1,0.536,18,262,430.859,3.313,5,0.378,0.74,1.0,0.8319426358714276,0.858028921938181,0.2620022616681516,0.29886573915427317,0.5627098896580084
EOS-3-17355,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)nn1,FXLRXDSRLCCWAM-UHFFFAOYSA-N,3,1,0.294,98,63,453.857,2.939,6,0.396,0.66,0.993,0.03913371256253855,0.1558152285655541,0.1717068741004729,0.26898430539373586,0.15891003015557537
EOS-3-17356,Fc1ccc(-c2nnc3cncc(OCCc4cccc(-c5cnc(F)cn5)n4)n23)nc1,WHFBUUPPMASOLI-UHFFFAOYSA-N,3,1,0.411,18,128,432.394,2.938,5,0.403,0.64,1.0,0.6856195600027414,0.6741484476732232,0.3880131587965184,0.4004180659310534,0.5370498081008841
EOS-3-17357,Cc1ccnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)n1,ZGXILKKLTGIIND-UHFFFAOYSA-N,3,1,0.264,42,339,444.462,3.471,6,0.402,0.65,1.0,0.10500479747789733,0.04077856212733877,0.21555239531217874,0.23354293742718113,0.14871967308614897
EOS-3-17358,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)no1,SRUNGPFNPYKBLY-UHFFFAOYSA-N,3,1,0.304,70,968,428.441,2.76,6,0.416,0.66,1.0,0.0727331916935097,0.10017305188129669,0.05499109039819067,0.06819272154067577,0.07402251387841821
EOS-3-17359,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)no1,ZCXOPCMMLVBZPR-UHFFFAOYSA-N,3,1,0.312,70,191,425.437,3.422,6,0.418,0.71,1.0,0.21197998766362827,0.1714070317318895,0.17815776848742376,0.19298711534507573,0.18863297580700433
EOS-3-17360,Cn1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6(C)CC6)cc5)n34)n2)c1,NEYKUMVAMVTEHG-UHFFFAOYSA-N,3,1,0.317,52,423,450.506,3.536,6,0.439,0.7,1.0,0.2092043040230279,0.08464121718867795,0.08668014529504489,0.11330614762524845,0.12345795353299978
EOS-3-17361,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)cn1,VVIDYFBHPIFDCW-UHFFFAOYSA-N,3,1,0.312,86,812,423.4,2.094,6,0.414,0.69,1.0,0.18134466451922418,0.07426667123569324,0.06062812692755808,0.06013124528819135,0.09409267699266671
EOS-3-17362,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)c(Cl)c1,OBURAUXAXVVYRH-UHFFFAOYSA-N,3,1,0.32,94,219,467.884,3.154,6,0.384,0.72,1.0,0.17533925022274005,0.2938883558357892,0.2988143376053732,0.3881502295935851,0.2890480433143719
EOS-3-17363,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)nn1,UIRUCVGHZJEKFM-UHFFFAOYSA-N,3,1,0.461,53,785,431.847,2.974,5,0.413,0.63,0.999,0.37099924611061613,0.45884449318072784,0.2583184839969844,0.28665787129052156,0.34370502364471245
EOS-3-17364,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c1,BDVDROHRWPHMIX-UHFFFAOYSA-N,3,1,0.5,87,184,432.875,3.257,5,0.406,0.67,1.0,0.5918460009594956,0.54959392776369,0.3244894112809266,0.3494791309711466,0.45385211774381473
EOS-3-17365,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6noc(C)n6)cn5)n34)c(C)n2)n1,RJRMNCUUYKQWSY-UHFFFAOYSA-N,3,1,0.286,86,812,452.438,3.274,6,0.388,0.69,1.0,0.20640291960797752,0.10684668631348092,0.030523953121787403,0.019755328627235967,0.09088222191762045
EOS-3-17366,Fc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nn1,ZPGDIFDLCWHFFJ-UHFFFAOYSA-N,3,1,0.389,53,587,435.81,2.805,5,0.41,0.6,1.0,0.5475378658076897,0.7084846823384278,0.3880217257213351,0.45428688917826054,0.5245827907614283
EOS-3-17367,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)s4)n23)cn1,GVBCVGPZWCARTP-UHFFFAOYSA-N,3,1,0.294,99,812,440.496,3.111,6,0.415,0.68,0.843,0.04640703173188952,0.08464978411349462,0.06262422040984168,0.058572064971557807,0.0630632753066959
EOS-3-17368,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncn5CCF)n4)n23)cn1,IYCKATVXWLFORC-UHFFFAOYSA-N,3,1,0.312,52,423,469.484,2.974,6,0.39,0.7,0.42,0.13725926941265162,0.08785381399492838,0.04267185251182236,0.07181653073812624,0.08490036666438217
EOS-3-17369,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4csc(-c5cccs5)n4)n23)c1,PPMVJFREDWLTQI-UHFFFAOYSA-N,3,1,0.284,76,272,443.521,3.834,6,0.408,0.71,1.0,0.026266191487903504,0.08120588033719416,0.05302926461517374,0.09196593790692893,0.06311681858680009
EOS-3-17370,Cc1cc(-c2nnc3cncc(OCc4nccc(C)n4)n23)cc(-c2ncccc2F)n1,OQNJFOASKNOTKU-UHFFFAOYSA-N,3,1,0.441,24,43,428.431,3.373,5,0.42,0.7,1.0,0.6371393324652183,0.5446079775203893,0.25138784182030016,0.21019806730176135,0.41083330477691726
EOS-3-17371,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c1,RLNLOOMTHJIZRM-UHFFFAOYSA-N,3,1,0.319,32,945,430.475,4.316,6,0.414,0.76,1.0,0.13964944143650196,0.08121444726201082,0.5018333219107669,0.4940631211020492,0.30419008292783223
EOS-3-17372,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,AKRMVERTPGRQMU-UHFFFAOYSA-N,3,1,0.333,30,945,430.475,4.316,6,0.414,0.74,0.998,0.1260965663765335,0.05540230278939072,0.42781509149475705,0.43818963744774175,0.26187589952710577
EOS-3-17373,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccnnc6)n5)n34)cc2)nc1,UYUDJWNOCGGMAX-UHFFFAOYSA-N,3,1,0.315,38,608,429.447,3.767,6,0.417,0.68,1.0,0.12610513330135015,0.11928586114728257,0.40630354328010415,0.4033136865190871,0.263752056061956
EOS-3-17374,c1ccc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)cc1,MFMQKPPDBFGTCW-UHFFFAOYSA-N,3,1,0.3,30,498,429.447,3.767,6,0.417,0.68,1.0,0.11815502707148243,0.07060002741415941,0.4095075731615379,0.469852991570146,0.26702890480433145
EOS-3-17375,CCOc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ncn2)cn1,LTBOIPQBJXUASQ-UHFFFAOYSA-N,3,1,0.495,18,238,440.467,3.059,5,0.359,0.71,0.999,0.42494517168117335,0.2068826673977109,0.17816633541224042,0.10848296895346446,0.2296192858611473
EOS-3-17376,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnn(-c6ccccc6)c5)n34)cc2)cn1,XUZBXABGNJOOOV-UHFFFAOYSA-N,3,1,0.294,30,668,418.464,4.045,6,0.432,0.79,1.0,0.005439997258584059,0.013287300390651772,0.5629840312521417,0.5636351175382085,0.28633661160989654
EOS-3-17377,Cn1nc(C(F)F)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4Cl)cn3)n12,FZVCFIKCPVRKLR-UHFFFAOYSA-N,3,1,0.351,22,315,438.829,4.24,5,0.417,0.72,0.617,0.09042389143992872,0.30374031937495716,0.47768316085258034,0.6007813035432801,0.36815716880268656
EOS-3-17378,Clc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccn6)c5)n34)nc2)ccn1,LZBZFYLLSSPDMH-UHFFFAOYSA-N,3,1,0.272,86,957,452.869,3.544,6,0.373,0.72,1.0,0.007376122267150983,0.10347988486053046,0.35048146117469675,0.41942807209923927,0.22019138510040437
EOS-3-17379,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)s1,SJGSVJSJMYCYNU-UHFFFAOYSA-N,3,1,0.33,76,507,456.47,3.306,6,0.397,0.67,0.908,0.0904324583647454,0.29389692276060586,0.1376704818038517,0.24234116921389898,0.19108525803577547
EOS-3-17380,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5F)nn4)n23)cc1,NMNMTRTZZHZKJY-UHFFFAOYSA-N,3,1,0.305,98,620,439.418,2.369,6,0.384,0.66,1.0,0.007384689191967652,0.10685525323829759,0.18788122815434172,0.2161520800493455,0.12956831265848812
EOS-3-17381,Cc1nn(C)cc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,BHDZZNMZLRWJMP-UHFFFAOYSA-N,3,1,0.536,4,32,432.875,3.523,5,0.419,0.69,1.0,0.5475464327325064,0.7177540949900624,0.38061990267973406,0.37865807689671716,0.5061446268247549
EOS-3-17382,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccncc6)n5)n34)cc2)nc1,KGPCODLUQUWEMS-UHFFFAOYSA-N,3,1,0.345,38,289,447.462,3.505,6,0.395,0.68,1.0,0.0707884997601261,0.0742752381605099,0.3543280104173806,0.2988743060790898,0.1995665136042766
EOS-3-17383,Cc1ccc(-c2nc(-c3nnc4cncc(OCCc5cccc(C#N)c5)n34)ccc2F)cn1,DLULZLDJTKAMQN-UHFFFAOYSA-N,3,1,0.495,19,159,451.465,4.189,5,0.381,0.76,1.0,0.9068603933931876,0.8549533959289973,0.734990747721198,0.6944691933383592,0.7978184325954356
EOS-3-17384,Fc1cnn2nc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)n6)cc5)n34)nc2c1,YAWSNMDJLYRMNT-UHFFFAOYSA-N,3,1,0.317,3,973,443.833,3.751,6,0.384,0.73,0.974,0.3291498183811939,0.40045233363032007,0.3954064149133027,0.5920087725310123,0.42925433486395725
EOS-3-17385,COc1ncc(-c2nnc3cncc(Cc4ccc(Cl)nc4)n23)cc1-c1ccc(F)nc1,HIIAOPHLXIFROH-UHFFFAOYSA-N,3,1,0.33,14,959,447.861,4.035,5,0.375,0.75,1.0,0.46891919676512916,0.5725875539716263,0.7220375573983963,0.6859365362209581,0.6123702110890274
EOS-3-17386,Cn1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cc2F)n1,MFTXOPZYIRPBTQ-UHFFFAOYSA-N,3,1,0.568,36,404,421.371,2.234,5,0.425,0.7,1.0,0.6312881228154342,0.6988554588444932,0.3280018504557604,0.3847919950654513,0.5107343567952848
EOS-3-17387,Fc1cc(-c2nnc3cncc(OCc4cnc(-n5cncn5)cn4)n23)ccc1Cl,QLEQUTRWZUSGQW-UHFFFAOYSA-N,3,1,0.535,73,391,423.799,2.534,5,0.424,0.68,1.0,0.4766636967993969,0.6741570145980399,0.48133267082448083,0.527182852443287,0.5398340586663012
EOS-3-17388,COc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C)cc5)n34)c(Cl)cn2)nn1,CQIDLNQILVPAGR-UHFFFAOYSA-N,3,1,0.512,89,97,459.897,4.193,5,0.372,0.76,0.999,0.8486053046398465,0.8165307381262422,0.5698033034062093,0.49099616201768215,0.6814838770474951
EOS-3-17389,Cc1nccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)n1,MORCTVSZPDNCSN-UHFFFAOYSA-N,3,1,0.5,4,666,429.871,4.184,5,0.413,0.7,1.0,0.6341066410801178,0.6166472483037488,0.5296586937153039,0.5271914193681037,0.5769010006168185
EOS-3-17390,Cn1ccnc1-c1ncccc1-c1nnc2cncc(-c3cnc(-c4ccccc4)nc3)n12,ZUPGBWWHYZROTG-UHFFFAOYSA-N,3,1,0.356,42,106,431.463,3.711,6,0.419,0.67,1.0,0.10740353642656432,0.03721472140360496,0.19476046878212597,0.22175484887944624,0.14028339387293537
EOS-3-17391,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nc1,SKGNLBWYCZIHMX-UHFFFAOYSA-N,3,1,0.274,86,654,439.468,2.562,6,0.407,0.63,1.0,0.03617812350078816,0.07060859433897608,0.03694914673428826,0.06013981221300802,0.050968919196765126
EOS-3-17392,CCc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)cn1,XNFFMDLJZMMTAJ-UHFFFAOYSA-N,3,1,0.56,4,401,427.443,3.924,5,0.406,0.74,1.0,0.7725224453430196,0.717762661914879,0.47084675484887945,0.43220135700089096,0.5983333047769173
EOS-3-17393,N#Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2F)ncn1,GVILZZPZTGOKLO-UHFFFAOYSA-N,3,1,0.505,20,846,439.414,2.671,5,0.392,0.65,1.0,0.9114693989445548,0.9008035775478035,0.519575423206086,0.4879806044822151,0.7049572510451648
EOS-3-17394,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)nn4C)n23)cc1,YLGNPZHLPQQWCB-UHFFFAOYSA-N,3,1,0.372,62,124,410.441,2.613,5,0.489,0.86,1.0,0.09979610718936331,0.08465835103831129,0.0914433554931122,0.06988897265437599,0.0864466965937907
EOS-3-17395,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)n(C)n1,FMMPIKFGXIGSOU-UHFFFAOYSA-N,3,1,0.523,20,658,431.435,2.446,5,0.403,0.65,1.0,0.5320659995887876,0.5218199575080529,0.1144883832499486,0.10849153587828113,0.3192164690562676
EOS-3-17396,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cncc(F)n1,SZDLIFABOXUIQR-UHFFFAOYSA-N,3,1,0.54,35,393,443.442,3.413,5,0.377,0.69,1.0,0.8664159413336988,0.7316068124186142,0.582576588307861,0.45429545610307726,0.6587236995408128
EOS-3-17397,Fc1ccc(-c2nnc3cncc(Oc4cc(-c5nnc(C(F)F)o5)cnn4)n23)nc1,LVCGMNCXDTZJSH-UHFFFAOYSA-N,3,1,0.34,53,706,427.306,2.895,5,0.413,0.68,1.0,0.664382153382222,0.5633267082448085,0.38803029264615174,0.34617229799191285,0.4904778630662738
EOS-3-17398,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ncc(Cl)cn5)nc4)n23)cc1F,QECFCQMHMRZEEA-UHFFFAOYSA-N,3,1,0.391,14,580,445.889,4.529,5,0.395,0.79,1.0,0.46663182783907886,0.5589918442875745,0.6050047974778974,0.6510777191419368,0.5704265471866219
EOS-3-17400,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)n1,JSVUPRJMIONNPQ-UHFFFAOYSA-N,3,1,0.302,10,871,451.881,4.149,6,0.397,0.7,0.39,0.02627475841272017,0.18017099581934068,0.4314731683914742,0.5603111507093413,0.2995575183332191
EOS-3-17401,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ncc(Cl)cn5)c4)n23)n1,JXDCGCVATWIZFA-UHFFFAOYSA-N,3,1,0.549,4,31,433.834,4.015,5,0.386,0.72,1.0,0.6256853539853334,0.6791001302172572,0.6343122472757179,0.6566033856486876,0.648925279281749
EOS-3-17402,CCOc1nc(-c2nncn2C)ccc1-c1nnc2cncc(-c3ccc(C(N)=O)cn3)n12,ICUCARGNFPERQR-UHFFFAOYSA-N,3,1,0.314,74,259,442.443,1.541,5,0.413,0.64,0.569,0.24463710506476596,0.08466691796312796,0.02502398738948667,0.009457884997601262,0.09094647385374546
EOS-3-17403,CCc1cc(-c2cc(-c3nnc4cncc(Cn5ccnn5)n34)ccc2C#N)nc(C)n1,PZLYCADYWQZLEW-UHFFFAOYSA-N,3,1,0.333,85,60,422.456,2.631,5,0.423,0.72,1.0,0.13445788499760125,0.10686382016311424,0.1497755465698033,0.1353831128778014,0.13162009115208004
EOS-3-17404,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)cc1,YFRPTTQZWNMUDZ-UHFFFAOYSA-N,3,1,0.319,38,762,421.424,3.304,6,0.426,0.74,1.0,0.16191487903502158,0.0812230141868275,0.31332670824480846,0.2898019326982386,0.21156663354122404
EOS-3-17405,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)n(C)n4)n23)c1F,QCPLJMCEIKAQPG-UHFFFAOYSA-N,3,1,0.473,95,54,429.459,3.656,5,0.41,0.75,0.998,0.4088821876499212,0.34305393735864576,0.3954149818381194,0.3721472140360496,0.379874580220684
EOS-3-17406,Cc1nc(C)c(Cc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)c4)n23)nc1C,DFPMDVYKSFNXIS-UHFFFAOYSA-N,3,1,0.359,85,674,426.459,3.693,5,0.432,0.68,1.0,0.41330272085532177,0.3766619834144336,0.18788979507915837,0.1929956822698924,0.2927125454047015
EOS-3-17407,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cc1,UMBNVJQWWALSTM-UHFFFAOYSA-N,3,1,0.327,94,872,437.402,2.425,6,0.409,0.65,0.979,0.008506956342951134,0.12970324172435063,0.2261496813103968,0.3176273045027757,0.17049679597011858
EOS-3-17408,Cc1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1C,HDTDQZZCKRUBPQ-UHFFFAOYSA-N,3,1,0.641,43,372,430.899,4.733,5,0.403,0.83,1.0,0.7312727023507641,0.8641799739565486,0.7139846480707285,0.6971420738811597,0.7516448495648003
EOS-3-17409,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,RKJQFXHSGGLAFY-UHFFFAOYSA-N,3,1,0.333,98,882,436.443,1.839,6,0.406,0.62,1.0,0.05258378452470701,0.0480090466726064,0.06263278733465835,0.060148379137824684,0.05584349941744911
EOS-3-17410,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)cc4OC4CCC(F)(F)CC4)n23)cc1,UCMNZBOKNAINTD-UHFFFAOYSA-N,3,1,0.414,0,999,468.439,4.048,5,0.474,0.69,0.991,0.4791566719210472,0.4809471592077308,0.4914844767322322,0.6037882941539305,0.5138441505037352
EOS-3-17411,Cc1cnnc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)F)nc5)n34)nc2)n1,PHTVEUWKYCQPFD-UHFFFAOYSA-N,3,1,0.313,85,60,431.41,3.27,5,0.417,0.65,0.125,0.2661829209786855,0.26788773901720236,0.44978925364950995,0.3786666438215338,0.3406316393667329
EOS-3-17412,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cc(C)nc(F)n4)n23)cc1C,XULRJFPGYJJQJU-UHFFFAOYSA-N,3,1,0.33,74,155,455.457,2.821,5,0.41,0.63,0.999,0.18135323144404084,0.1558237954903708,0.15895072304845453,0.09794565142896305,0.1485183503529573
EOS-3-17413,FC(F)c1cnc(COc2cncc3nnc(-c4ccc(Cl)c(Br)c4)n23)cn1,FOOSXEWLZQLUJR-UHFFFAOYSA-N,3,1,0.592,68,255,467.661,4.514,4,0.43,0.73,1.0,0.8884500719621684,0.9695103145774793,0.9207388115961894,0.9093619354396546,0.922015283393873
EOS-3-17414,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)cnn4)n23)nn1,KJKMJJBPHUNWHC-UHFFFAOYSA-N,3,1,0.398,53,602,449.837,2.847,5,0.36,0.68,0.983,0.5830220683983277,0.6498440819683367,0.34263415804262903,0.4227006373792064,0.499550236447125
EOS-3-17415,OCc1cnc(-c2nnc3cncc(-c4ccc(F)cc4COCC(F)(F)F)n23)cn1,RNTSVKQHRAMRAD-UHFFFAOYSA-N,3,1,0.306,68,861,434.353,2.959,4,0.466,0.61,0.637,0.52452710575012,0.5779675827564937,0.9543896922760606,0.9117092728394216,0.7421484134055238
EOS-3-17416,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)c(F)c1,XCPQFGIXKRIVAC-UHFFFAOYSA-N,3,1,0.553,37,161,450.865,3.396,5,0.391,0.67,1.0,0.8192378863683092,0.8165393050510589,0.5498338016585567,0.595007196216846,0.6951545473236926
EOS-3-17417,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C#N)cn5)cn4)n23)cc1,OTWHMIWVGVBUQN-UHFFFAOYSA-N,3,1,0.35,38,762,455.485,4.187,6,0.392,0.73,1.0,0.1646819957508053,0.14054896854225207,0.6284953053252005,0.5888133095743951,0.38063489479816326
EOS-3-17419,COc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ccnc(C)n3)n12,QNDIKRAVWFTAFG-UHFFFAOYSA-N,3,1,0.484,75,710,440.467,2.977,5,0.377,0.71,1.0,0.384903365088068,0.1714155986567062,0.1285895414981838,0.06820128846549242,0.1882774484271126
EOS-3-17420,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5F)c(F)c4F)n23)nc1,FHGZXZNCYUYHMI-UHFFFAOYSA-N,3,1,0.324,50,155,448.368,2.826,5,0.419,0.63,0.975,0.2580100747035844,0.2884226578027551,0.6374648756082517,0.6161332328147489,0.450007710232335
EOS-3-17421,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nc1,BNISEPNFMTWRTF-UHFFFAOYSA-N,3,1,0.478,18,692,447.861,4.057,5,0.387,0.68,1.0,0.6643907203070386,0.6839832773627579,0.6199026797340826,0.6682201357000891,0.6591242032759921
EOS-3-17422,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)no2)nn1,LMSZNNRZNDJNGR-UHFFFAOYSA-N,3,1,0.286,70,957,434.423,3.064,6,0.407,0.68,1.0,0.09505003084092933,0.05930882050579124,0.117572476183949,0.13778185182646838,0.10242829483928448
EOS-3-17423,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cc2)ccn1,MICKSTFIKNWKSW-UHFFFAOYSA-N,3,1,0.324,41,150,434.438,4.24,6,0.386,0.74,1.0,0.009903365088067988,0.2068912343225276,0.6988725926941265,0.7083047769172778,0.4059929922555
EOS-3-17424,Cc1ccc(-c2nnc3cncc(OCc4cnc(-n5nnnc5C)cc4Cl)n23)cn1,JDIMEVAZZRUKQF-UHFFFAOYSA-N,3,1,0.489,92,185,434.851,2.406,5,0.41,0.68,1.0,0.3087348365430745,0.4004609005551367,0.10903981906654787,0.13110821739428416,0.2373359433897608
EOS-3-17425,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1-c1ccccc1,CHQCNBUQHJPFJG-UHFFFAOYSA-N,3,1,0.352,42,327,431.463,3.711,6,0.419,0.68,0.994,0.06667637584812555,0.04801761359742307,0.3208484682338428,0.34289973271194574,0.19461054759783428
EOS-3-17426,Cc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)n1,YSCXCAXIVYLNOB-UHFFFAOYSA-N,3,1,0.296,32,174,442.486,4.681,6,0.391,0.78,0.8,0.10981940922486465,0.07061716126379275,0.4603865396477281,0.4543040230278939,0.27378178329106984
EOS-3-17427,Cn1nnnc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)c1,OLTKPNKVBZTZLF-UHFFFAOYSA-N,3,1,0.465,36,728,455.269,2.658,5,0.394,0.68,0.998,0.38727640326228496,0.6693595367007059,0.1912137619080255,0.32066856281269274,0.3921295661709273
EOS-3-17428,Cc1ccc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)cn5)n34)c2)nn1,LDHIJAIZQHHPDY-UHFFFAOYSA-N,3,1,0.382,14,351,429.871,4.184,5,0.413,0.71,1.0,0.40889075457473784,0.5354756356658213,0.5363922966212048,0.5207490919059694,0.5003769446919334
EOS-3-17429,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2C)cn1,XZYCWCHHKNJXIX-UHFFFAOYSA-N,3,1,0.459,95,493,446.902,3.565,5,0.393,0.72,1.0,0.3939157699952025,0.3813566582139675,0.33906175039407854,0.33980707285312867,0.3635353128640943
EOS-3-17431,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)o1,PUMLMRIYVBCEMU-UHFFFAOYSA-N,3,1,0.355,30,365,436.41,4.104,6,0.406,0.74,0.995,0.20921287094784455,0.2730193269823864,0.2655661023918854,0.40332225344390377,0.287780138441505
EOS-3-17432,Cn1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)n1,MGTXKOAJAMGKGV-UHFFFAOYSA-N,3,1,0.299,98,927,421.428,2.229,6,0.425,0.68,1.0,0.0025615105201836747,0.008703995613734495,0.09853676924131313,0.10417380577068056,0.05349402028647796
EOS-3-17433,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cn1,QBPSOBYOMKKAPB-UHFFFAOYSA-N,3,1,0.433,87,466,445.874,3.017,5,0.388,0.65,1.0,0.5577325063395243,0.572596120896443,0.2513964087451169,0.2600147351106847,0.4104349427729422
EOS-3-17434,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(C5(C#N)CCOCC5)c4)n23)cn1,VDZYGCYIJNXEDY-UHFFFAOYSA-N,3,1,0.404,63,548,470.493,2.092,5,0.448,0.72,1.0,0.3166164073744089,0.11929442807209924,0.049319786169556575,0.07182509766294291,0.13926392981975189
EOS-3-17435,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cc1,QUBORUQZEYOBMV-UHFFFAOYSA-N,3,1,0.432,46,94,434.822,3.41,5,0.414,0.69,1.0,0.640163456925502,0.6643735864574053,0.4095161400863546,0.5207576588307861,0.558702710575012
EOS-3-17436,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)cc1,WXUIVNBWUZSIJX-UHFFFAOYSA-N,3,1,0.306,69,50,428.459,4.372,6,0.411,0.76,1.0,0.12053663217051608,0.06699335206634227,0.5195839901309026,0.5796638338701939,0.32169445205948877
EOS-3-17437,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)cn5)n34)cc2)ccn1,PCOCFLPHUYHQQH-UHFFFAOYSA-N,3,1,0.28,69,174,428.459,4.372,6,0.411,0.76,1.0,0.08523233500102803,0.09089507230484545,0.6745767939140566,0.6886351175382085,0.38483482968953464
EOS-3-17438,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)sn1,OCNDFNHVMXXFFM-UHFFFAOYSA-N,3,1,0.495,89,512,473.522,2.514,6,0.382,0.77,1.0,0.3265454732369269,0.12278116647248304,0.01669693646768556,0.020466383387019397,0.12162248989102872
EOS-3-17439,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)c5)n34)cn2)cc1,UWFUZXBJEHWONF-UHFFFAOYSA-N,3,1,0.338,30,220,417.436,3.7,6,0.466,0.77,1.0,0.12335515043519978,0.1634055239531218,0.4203790007538894,0.48511925159344804,0.2980647316839148
EOS-3-17440,CCn1nc(C)nc1-c1cccc(COc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)n1,BERVDHGZELODDG-UHFFFAOYSA-N,3,1,0.446,89,398,469.509,2.712,5,0.386,0.73,1.0,0.3035775478034405,0.1518744431498869,0.031689054896854224,0.011085600712768144,0.12455666164073743
EOS-3-17441,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,TVFHHFJILGDWQQ-UHFFFAOYSA-N,3,1,0.276,8,934,447.466,2.984,6,0.392,0.68,0.516,0.03618669042560482,0.01462374066205195,0.033034062093071075,0.06631656500582551,0.037540264546638336
EOS-3-17442,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(CN(C)C)n4)n23)cc1Cl,YLAKGCYVJYMRNF-UHFFFAOYSA-N,3,1,0.534,90,636,440.91,3.97,4,0.433,0.68,1.0,0.6519087108491536,0.6302943595367007,0.5597200328969913,0.497164347885683,0.5847718627921321
EOS-3-17443,Fc1cnc(-c2cnccn2)c(-c2nnc3cncc(-c4ccc(-c5c[nH]cn5)nc4)n23)c1,ICRUQDUGESEHIQ-UHFFFAOYSA-N,3,1,0.276,86,790,436.414,3.235,6,0.447,0.62,0.998,0.2607514906449181,0.2779710095264204,0.36911452265094924,0.40042663285587005,0.32706591391953943
EOS-3-17444,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccnc(-c5nc[nH]n5)c4)n23)cc1,ALYGFJXXICRFHG-UHFFFAOYSA-N,3,1,0.301,64,449,436.414,3.235,6,0.447,0.62,1.0,0.2311099307792475,0.2626790487286684,0.30602768830100746,0.39141422794873554,0.29780772393941474
EOS-3-17445,Clc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,CDTMKFHWEFIUIY-UHFFFAOYSA-N,3,1,0.494,65,822,431.847,2.708,5,0.4,0.64,1.0,0.6643992872318553,0.6791086971420739,0.1813189637447742,0.21616064697416215,0.43524689877321643
EOS-3-17446,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)nn4)n23)c(F)c1,MXRVNFNOIYAYDO-UHFFFAOYSA-N,3,1,0.427,89,534,470.468,3.111,5,0.385,0.71,0.999,0.4815040093208142,0.347842848331163,0.3465578096086629,0.24505688438078269,0.3552403879103557
EOS-3-17447,CCn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)nc1,OMIXTUAFJSXEPK-UHFFFAOYSA-N,3,1,0.298,86,812,437.427,2.577,6,0.395,0.65,1.0,0.1841374820094579,0.09090363922966212,0.049328353094373244,0.05286649304365705,0.09430899184428757
EOS-3-17448,CCn1c(-c2cn(C)cn2)nnc1-c1cncc2nnc(-c3ccc(-c4cncnc4)cn3)n12,RYKWLCQOZQHADC-UHFFFAOYSA-N,3,1,0.238,99,754,450.47,2.322,6,0.388,0.69,0.539,0.056087656774724146,0.02134020971831951,0.020166541018436023,0.027431293262970325,0.031256425193612505
EOS-3-17449,Cn1ncnc1-c1ncnnc1-c1cncc2nnc(-c3nccnc3-c3cccnc3)n12,HVOBDPPMFPVNRI-UHFFFAOYSA-N,3,1,0.232,86,953,435.415,1.291,6,0.394,0.65,0.933,0.05259235144952368,0.006630799808100884,0.009337948050167912,0.01204509629223494,0.020151548900006852
EOS-3-17450,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)c(Cl)c1,IBAKNHYTCPETNO-UHFFFAOYSA-N,3,1,0.547,37,619,450.865,3.396,5,0.391,0.68,1.0,0.6795970118566239,0.7316153793434309,0.5329141251456377,0.5763827016654102,0.6301273045027758
EOS-3-17451,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cn2)nn1,GUQCTHIBPPKHAE-UHFFFAOYSA-N,3,1,0.324,10,871,439.418,2.369,6,0.411,0.61,0.281,0.015309094647385375,0.14793365773421974,0.1684857103694058,0.2217634158042629,0.13837296963881845
EOS-3-17452,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)cn2)cc1,JUNMACKTSHPMPJ-UHFFFAOYSA-N,3,1,0.273,30,195,417.436,3.496,6,0.433,0.75,0.791,0.0011051333013501474,0.008712562538551162,0.3616612980604482,0.397205469124803,0.19217111575628815
EOS-3-17453,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5cn(C)nc5C)cnc4C)n23)cn1,DCGLVEABLMTXLQ-UHFFFAOYSA-N,3,1,0.407,92,828,427.472,2.881,5,0.421,0.68,0.999,0.2367469673086149,0.09707182509766295,0.14065177164005208,0.06308683434994175,0.13438934959906793
EOS-3-17454,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5cnccn5)n4)n23)c1,ZGVGPQAATJBYDE-UHFFFAOYSA-N,3,1,0.3,39,356,438.39,1.82,6,0.4,0.62,0.994,0.0014906449181001987,0.06700191899115894,0.06652217120142553,0.14007778767733534,0.068773130697005
EOS-3-17455,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5nccc(F)c5F)n34)c2)nn1C,GPIYSYSRHOOARV-UHFFFAOYSA-N,3,1,0.506,36,931,434.41,3.147,5,0.419,0.68,1.0,0.47667226372421356,0.44571139743677607,0.3579346857651977,0.3366544445205949,0.4042431978616956
EOS-3-17456,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)cn4)n23)cc1F,XBYIJFFJMUAIFO-UHFFFAOYSA-N,3,1,0.451,46,469,435.369,3.64,5,0.416,0.67,1.0,0.6548385991364539,0.7316239462682476,0.8094116236035912,0.8033462408333905,0.7498051024604208
EOS-3-17457,Clc1cnc(COc2cncc3nnc(-c4cc(-c5cncc(Cl)c5)ncn4)n23)nc1,UHEWKMUNLPHWQB-UHFFFAOYSA-N,3,1,0.362,51,196,452.265,3.319,5,0.396,0.66,0.959,0.49384894798163254,0.5171595504077856,0.34656637653347955,0.4574566513604277,0.45375788157083136
EOS-3-17458,c1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)nc2)cn1,YMFICXMJTZUCLK-UHFFFAOYSA-N,3,1,0.31,42,106,419.408,3.36,6,0.423,0.73,1.0,0.16192344595983826,0.1193029949969159,0.35794325269001437,0.3590483859913645,0.24955451990953326
EOS-3-17460,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1,LVSKJMUKUVBORF-UHFFFAOYSA-N,3,1,0.338,38,983,431.463,3.711,6,0.419,0.65,1.0,0.14813926392981974,0.0670104859159756,0.40266260023302036,0.3688232472071825,0.24665889932149956
EOS-3-17462,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccccc5OC)cnc4OC)n23)cn1,KYPRZLLPMXEURT-UHFFFAOYSA-N,3,1,0.378,82,204,467.489,3.292,5,0.404,0.74,1.0,0.31662497429922554,0.07766774038791036,0.30237817832910696,0.14008635460215202,0.20918931190459872
EOS-3-17463,Clc1c[nH]nc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)nc1,MVUHBPUAARGIGA-UHFFFAOYSA-N,3,1,0.262,70,813,442.83,3.342,6,0.435,0.64,0.812,0.26076005756973475,0.33791378246864506,0.28056678774587074,0.3556301829895141,0.3087177026934411
EOS-3-17464,Cn1cncc1-c1ccnc(COc2cncc3nnc(-c4cc(Cl)ccc4F)n23)n1,NZGHUHNJOMFAIY-UHFFFAOYSA-N,3,1,0.435,73,446,436.838,3.353,5,0.417,0.67,0.999,0.5800150777876774,0.6352974436296347,0.4947827427866493,0.5343276677403879,0.5611057329860873
EOS-3-17465,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)n6)nc5)n34)nc2)cn1,NYHVFXBXVIOPMO-UHFFFAOYSA-N,3,1,0.296,86,967,450.441,3.245,6,0.376,0.69,1.0,0.12054519909533273,0.18422315125762456,0.3579518196148311,0.3461808649167295,0.25222525872112944
EOS-3-17466,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)cc1,KUEWHCSZIGRFLE-UHFFFAOYSA-N,3,1,0.36,9,38,448.465,4.455,6,0.396,0.75,1.0,0.2764203961346035,0.34785141525597973,0.7088102254814612,0.7297220889589473,0.5157010314577479
EOS-3-17467,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)nc2)c1,LOKWIXYCTDTNQX-UHFFFAOYSA-N,3,1,0.307,3,118,452.428,4.379,6,0.395,0.74,0.82,0.013792748954835172,0.17142416558152285,0.6879069289287917,0.7852443286957713,0.41459204304023023
EOS-3-17468,N#Cc1cc(Cc2cncc3nnc(-c4nccnc4-c4ncc(Cl)cn4)n23)ccc1F,UBNSRPQUKQXQQU-UHFFFAOYSA-N,3,1,0.344,85,260,443.833,3.293,5,0.415,0.64,1.0,0.3574035364265643,0.39069460626413544,0.4883232814748818,0.6161417997395655,0.46314080597628676
EOS-3-17469,Cn1nc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)n1C,GJQPTFSBHKZLEH-UHFFFAOYSA-N,3,1,0.465,36,915,422.399,2.783,5,0.433,0.73,1.0,0.560448221506408,0.5928226303885957,0.39542354876293606,0.4065948187238709,0.4888223048454527
EOS-3-17470,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)ccn1,RUIRKAYBUBTDQJ-UHFFFAOYSA-N,3,1,0.505,35,76,431.406,3.543,5,0.38,0.73,1.0,0.8902148584744021,0.8861027345624015,0.7039956137344938,0.6740199438009732,0.7885832876430677
EOS-3-17471,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(C(C)(F)F)cc5F)n34)ccn2)o1,QXVBBCMPSNPYET-UHFFFAOYSA-N,3,1,0.333,96,315,437.385,4.463,5,0.41,0.76,1.0,0.38946096909053524,0.5264460969090535,0.9084709752587211,0.8421715441025289,0.6666373963402097
EOS-3-17472,Fc1cc(-c2cnc(-c3cncc4nnc(-c5nccnc5-c5ccncc5)n34)nc2)ccn1,HGGXBBZJJNJXLU-UHFFFAOYSA-N,3,1,0.304,86,989,448.425,3.301,6,0.374,0.7,0.985,0.21450723048454526,0.242469673086149,0.29507059146048936,0.35263175930368035,0.276169813583716
EOS-3-17473,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nn2)cn1,XLACPMAKINMJIQ-UHFFFAOYSA-N,3,1,0.298,10,37,436.414,3.03,6,0.388,0.67,1.0,0.004617572476183949,0.08467548488794463,0.3426427249674457,0.38815879651840174,0.205023644712494
EOS-3-17474,Cc1cc(-c2ncnn2C)c(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,RGMMZADOJVNXCI-UHFFFAOYSA-N,3,1,0.279,10,195,434.467,3.143,6,0.42,0.65,0.931,0.004206360084983894,0.02134877664313618,0.16849427729422248,0.17922006716469055,0.09331737029675827
EOS-3-17475,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ccc2F)cn1,UBLWTVJUMFKOBU-UHFFFAOYSA-N,3,1,0.679,91,70,432.434,4.092,5,0.404,0.74,1.0,0.8295267630731272,0.8315057227057775,0.8745802206839832,0.8562298677266809,0.8479606435473921
EOS-3-17476,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cncnc5)n34)nc2)nn1,CVSGSXCFGASJMV-UHFFFAOYSA-N,3,1,0.247,86,953,445.45,2.866,6,0.399,0.63,0.938,0.07274175861832637,0.044333835926255914,0.12315811116441643,0.13111678431910082,0.09283762250702488
EOS-3-17477,Fc1ccc(NCc2cncc3nnc(-c4cc(Cl)nc(-c5ncccc5F)c4)n23)nc1,CCIRHYRXMVPUGH-UHFFFAOYSA-N,3,1,0.311,14,291,450.84,4.187,5,0.401,0.73,1.0,0.112492289767665,0.17593893495990678,0.6467428551847029,0.6886436844630252,0.40595444109382495
EOS-3-17478,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)ccn2)nn1,LNLQJKANDKYZGJ-UHFFFAOYSA-N,3,1,0.257,70,813,435.455,2.444,6,0.414,0.64,1.0,0.015317661572202042,0.013295867315468439,0.14978411349461998,0.13112535124391747,0.07738074840655199
EOS-3-17479,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)cn1,SYBIVCWKBNJXEU-UHFFFAOYSA-N,3,1,0.302,10,871,454.885,3.488,6,0.401,0.69,0.729,0.04641559865670619,0.18017956274415736,0.2261582482352135,0.31763587142759236,0.19259732026591736
EOS-3-17480,Fc1cnc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cn1,WODSVCIBUKVSGS-UHFFFAOYSA-N,3,1,0.295,10,37,437.402,2.425,6,0.409,0.62,0.749,0.00797580700431773,0.07428380508532657,0.16523027893907202,0.2335515043519978,0.12026034884517853
EOS-3-17481,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,JNJPGXPPQQNNEJ-UHFFFAOYSA-N,3,1,0.512,97,666,432.846,4.62,5,0.403,0.78,1.0,0.9379069289287917,0.8887070797066685,0.8758823932561168,0.8794805016791173,0.8954942258926736
EOS-3-17482,c1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccnnc6)ncn5)n34)nc2)cn1,YBGYBROTQSTZFE-UHFFFAOYSA-N,3,1,0.238,94,165,431.423,2.557,6,0.41,0.66,1.0,0.07275032554314304,0.06336097594407511,0.28805428003563843,0.28389932149955455,0.17701622575560277
EOS-3-17483,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)c2)cc1,OWXTXVKXXDAHFU-UHFFFAOYSA-N,3,1,0.438,27,160,449.396,4.299,5,0.382,0.76,1.0,0.6033942156123638,0.6791172640668905,0.8588085120964979,0.8262884654924268,0.7419021143170448
EOS-3-17484,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)cn2)CC1,AILQAXVFPYGYOO-UHFFFAOYSA-N,3,1,0.312,82,450,438.455,2.111,6,0.442,0.6,1.0,0.031020834761154137,0.04802618052223974,0.02503255431430334,0.04114693989445549,0.03630662737303818
EOS-3-17485,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(Cl)n5)cc4F)n23)cc1F,ZHRMAADVZBFHHL-UHFFFAOYSA-N,3,1,0.365,96,648,477.862,4.207,5,0.416,0.81,1.0,0.37809265985881707,0.4004694674799534,0.8334761154136111,0.8281988897265438,0.6100592831197313
EOS-3-17486,Fc1cnc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncccc5F)c4)n23)c1,NSTWHFZPHYNBQP-UHFFFAOYSA-N,3,1,0.489,24,912,435.369,3.64,5,0.389,0.73,1.0,0.8810054142964842,0.8007161949146734,0.809420190528408,0.7967839764238229,0.821981444040847
EOS-3-17487,Cc1cc(-c2cn(C)nc2C)ccc1-c1nnc2cncc(OCc3ccc(F)nc3)n12,MDIZZYNUSGVASU-UHFFFAOYSA-N,3,1,0.518,16,256,429.459,3.922,5,0.394,0.79,0.996,0.44790453018984305,0.4004780344047701,0.6199112466588993,0.4787797272291138,0.4867683846206566
EOS-3-17488,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)nn1,SQGXWZQKIYKWAO-UHFFFAOYSA-N,3,1,0.31,9,727,464.88,3.816,6,0.383,0.71,1.0,0.26875299842368583,0.3087005688438078,0.46039510657254473,0.5238246179151532,0.39041832293879786
EOS-3-17489,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6cccnc6)n5)n34)cn2)cn1,OCOXILKJQDNEEW-UHFFFAOYSA-N,3,1,0.307,42,899,460.461,3.171,6,0.378,0.67,0.965,0.2958673154684395,0.20689980124734425,0.22989342745528066,0.19822150640805977,0.23272051264478102
EOS-3-17490,Cc1ccc(-c2ncc(-c3nnc4cncc(-c5cc(-c6cnn(C)c6)ncn5)n34)cn2)nn1,UGQAGFGXEWYLGU-UHFFFAOYSA-N,3,1,0.253,86,780,448.454,2.204,6,0.394,0.65,1.0,0.02749982866150367,0.011205537660201494,0.07518333219107669,0.058580631896374476,0.04311733260228908
EOS-3-17491,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccnn6C)nn5)n34)cn2)nn1,HEBKUIMCGGFYNY-UHFFFAOYSA-N,3,1,0.306,99,14,448.454,2.204,6,0.394,0.65,0.999,0.047803440477006374,0.05157288739634021,0.047529298882873,0.044976355287505994,0.04797049551093139
EOS-3-17492,Cc1cccc(-c2ccc(-c3nnc4cncc(COc5cccnc5F)n34)c(F)c2)n1,OPOIOXAHNTZQNM-UHFFFAOYSA-N,3,1,0.379,14,189,430.418,4.414,5,0.384,0.84,1.0,0.6457576588307861,0.6889949283805086,0.8135323144404085,0.7611370022616681,0.7273554759783427
EOS-3-17493,Cc1ccnc(-c2cccc(CCc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,NVWYZMDQLJYWEF-UHFFFAOYSA-N,3,1,0.375,52,916,476.544,3.629,6,0.382,0.77,1.0,0.20922143787266123,0.05158145432115688,0.05303783153999041,0.0630954012747584,0.09423403125214175
EOS-3-17494,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c(F)c2)c1,FUKIQTQRCDZLMY-UHFFFAOYSA-N,3,1,0.5,59,607,436.397,4.188,5,0.413,0.73,1.0,0.9037077650606539,0.8419745048317456,0.9397316839147419,0.9234973613871564,0.9022278287985744
EOS-3-17495,Clc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)c2)nn1,QGOWTBRAGARLFQ-UHFFFAOYSA-N,3,1,0.351,42,369,454.841,3.409,6,0.39,0.7,1.0,0.25801864162840105,0.32375265574669315,0.2190991021862792,0.2927403879103557,0.2734026968679323
EOS-3-17496,CCn1cc(-c2nccnc2-c2nnc3cncc(-c4ncnc(-c5cccnc5)n4)n23)cn1,UXTNNKCUEDFTFX-UHFFFAOYSA-N,3,1,0.241,86,953,448.454,2.379,6,0.386,0.64,0.931,0.056096223699540815,0.010288876704818038,0.021965595229936262,0.02212836680145295,0.027619765608937016
EOS-3-17497,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nn6)[nH]5)n34)cc2)nn1,CABBDSHMRMKGRK-UHFFFAOYSA-N,3,1,0.301,98,63,456.861,2.482,6,0.423,0.65,0.93,0.11816359399629908,0.24758412720169967,0.11449695017476527,0.1847200328969913,0.16624117606743882
EOS-3-17498,Cn1ccnc1-c1cnnc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c1,DJJXLIQMAPGXRC-UHFFFAOYSA-N,3,1,0.411,92,760,428.416,1.055,5,0.418,0.65,1.0,0.27642896305942016,0.10348845178534713,0.04933692001918991,0.023010760057569735,0.11306627373038174
EOS-3-17499,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)nc5)n34)nc2)no1,QTHPJGNGDKYRCG-UHFFFAOYSA-N,3,1,0.312,86,812,436.439,3.007,6,0.41,0.65,1.0,0.1205537660201494,0.09091220615447879,0.1258224247824001,0.10210060996504694,0.1098472517305188
EOS-3-17500,Cc1ccc(-c2ccnc(-c3nnc4cncc(COCc5cncc(F)c5)n34)c2)nc1,ASDUQUMBSJXSIL-UHFFFAOYSA-N,3,1,0.41,85,181,427.443,3.808,5,0.407,0.7,1.0,0.354936262079364,0.2831882667397711,0.5985367692413132,0.5538945240216572,0.44763895552052635
EOS-3-17501,COc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)n1,YOGNWCFWHIHACS-UHFFFAOYSA-N,3,1,0.556,7,212,446.858,3.279,5,0.387,0.67,1.0,0.7639555205263519,0.9008121444726201,0.3653365088067987,0.34618943184154616,0.5940734014118292
EOS-3-17502,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1-c1cncnc1,JIMBXDQPPAFCFG-UHFFFAOYSA-N,3,1,0.299,94,165,432.451,3.106,6,0.418,0.65,1.0,0.047812007401823044,0.06701905284079226,0.24421732574874924,0.25416352546090054,0.1533029778630663
EOS-3-17503,Cn1cncc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4cnccn4)n23)n1,LDSCSVRXCYIALF-UHFFFAOYSA-N,3,1,0.303,86,935,432.451,3.106,6,0.418,0.65,1.0,0.04207216777465561,0.014632307586868617,0.18132753066959084,0.1872729764923583,0.10632624563086834
EOS-3-17504,Cn1nccc1-c1cc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)cnn1,RUBHVXQRYHZVJS-UHFFFAOYSA-N,3,1,0.262,98,342,432.451,3.106,6,0.418,0.65,0.987,0.0435114111438558,0.011214104585018161,0.222585840586663,0.2662942910013022,0.13590141182920978
EOS-3-17505,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)nc1,OQMSYJINVYFYGB-UHFFFAOYSA-N,3,1,0.458,27,69,451.372,3.089,5,0.384,0.69,0.998,0.6796055787814406,0.7926375848125556,0.5396734288259887,0.5040949900623672,0.629002895620588
EOS-3-17507,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5noc(C)n5)ncn4)n23)cn1,LCZUINCEVSMCOT-UHFFFAOYSA-N,3,1,0.439,7,185,444.415,1.273,5,0.402,0.68,1.0,0.3504471934754301,0.19758755397162633,0.018436022205469124,0.004686107874717292,0.1427892193818107
EOS-3-17508,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccnn6)cnn5)n34)cc2)nc1,SENMEMVJTCIPQJ-UHFFFAOYSA-N,3,1,0.321,38,63,448.425,3.301,6,0.4,0.64,1.0,0.28761736686998834,0.3237612226715098,0.40631211020492086,0.4322099239257076,0.36247515591803164
EOS-3-17509,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ncccn6)c5)n34)cc2)nc1,UJYSXAPNZCKIDY-UHFFFAOYSA-N,3,1,0.325,42,608,448.425,3.301,6,0.4,0.64,1.0,0.29587588239325613,0.352588924679597,0.3390703173188952,0.3590569529161812,0.3366480193269824
EOS-3-17510,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cnc(C)cn1,FLJAHICLYZEJPY-UHFFFAOYSA-N,3,1,0.506,65,361,440.467,2.977,5,0.377,0.68,1.0,0.5190185730930026,0.24247824001096566,0.30238674525392367,0.17624734425330682,0.31003272565279966
EOS-3-17511,Cc1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)nn2)cn1,OPOINMUYFMHLFM-UHFFFAOYSA-N,3,1,0.277,39,114,433.439,2.594,6,0.412,0.65,0.966,0.0022616681516003014,0.003443903776300459,0.0707884997601261,0.08279932835309438,0.03982335001028031
EOS-3-17512,Fc1cnc(-c2nnc3cncc(-c4cccnc4-c4ccc(Cl)nn4)n23)c(Cl)c1,MAGRXRKMYBMTSU-UHFFFAOYSA-N,3,1,0.284,22,844,439.241,4.151,5,0.417,0.67,1.0,0.3340843670755945,0.4191110958810225,0.5533119731341237,0.7456651360427661,0.5130431430333767
EOS-3-17513,COc1ncc(F)cc1COc1cncc2nnc(-c3cccc(-c4cnc(C)nn4)c3)n12,HMQTYIPVKSCNKK-UHFFFAOYSA-N,3,1,0.462,16,506,444.43,3.073,5,0.39,0.67,1.0,0.6578455897471044,0.5354842025906381,0.33907888424371185,0.23945411555068194,0.44296569803303404
EOS-3-17514,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)nc1,KCMDFEOUWADZGE-UHFFFAOYSA-N,3,1,0.46,68,457,412.36,1.852,4,0.51,0.71,1.0,0.42258070043177304,0.252450140497567,0.32801041738057707,0.1681944349256391,0.292808923308889
EOS-3-17515,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)cn1,BJWYUKGJRGTXIZ-UHFFFAOYSA-N,3,1,0.543,35,76,438.426,3.276,5,0.371,0.71,1.0,0.9325868686176411,0.9501233637173601,0.6772239736824069,0.6161503666643822,0.7940211431704476
EOS-3-17516,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)cn1,ISFYJUOVFVHUCY-UHFFFAOYSA-N,3,1,0.316,42,714,420.436,3.909,6,0.426,0.76,1.0,0.1372678363374683,0.07062572818860942,0.5533205400589405,0.4910047289424988,0.31305470838187927
EOS-3-17517,Cc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)cn1,WPPTYXKWMYGZCP-UHFFFAOYSA-N,3,1,0.383,33,53,479.504,2.818,6,0.374,0.82,1.0,0.2227743129326297,0.10018161880611336,0.0730501679117264,0.06310396819957508,0.11477751696251114
EOS-3-17518,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)c2)nn1,UITJPAXDWHULHG-UHFFFAOYSA-N,3,1,0.477,16,772,449.837,3.113,5,0.373,0.66,1.0,0.7492889452402166,0.6890034953053252,0.4461740113768762,0.4447262010828593,0.5822981632513193
EOS-3-17519,FC(F)c1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cn1,MQECGQGCPNGTME-UHFFFAOYSA-N,3,1,0.53,27,786,432.394,3.555,5,0.401,0.68,1.0,0.60019018573093,0.6117041326845316,0.592068741004729,0.48798917140703174,0.5729880577068056
EOS-3-17520,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)c(F)c4)n23)cn1,RBIDPXOFLRHQPF-UHFFFAOYSA-N,3,1,0.321,98,522,450.441,3.245,6,0.402,0.65,1.0,0.2286255225824138,0.23702110890274827,0.3730724419162497,0.4004351997806867,0.30978856829552465
EOS-3-17521,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cn1,SXHROPJGAGWKIS-UHFFFAOYSA-N,3,1,0.31,98,543,450.441,3.245,6,0.402,0.65,1.0,0.11545644575423206,0.22202042354876295,0.3133352751696251,0.38480056199026796,0.25890317661572204
EOS-3-17522,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnc(F)cn6)n5)n34)cc2)nn1,BGCINVLOBSCXGU-UHFFFAOYSA-N,3,1,0.346,38,865,450.441,3.245,6,0.402,0.65,1.0,0.09980467411417997,0.18423171818244122,0.34265129189226234,0.3461979987663628,0.2432214207388116
EOS-3-17523,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)nn6)s5)n34)cc2)n1,ANEFWMPZHQXLQE-UHFFFAOYSA-N,3,1,0.293,98,865,452.507,3.476,6,0.4,0.68,1.0,0.0347303132067713,0.07063429511342609,0.11758104310876567,0.11789801932698239,0.08521091768898637
EOS-3-17524,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)nn2)cn1,GCDGNJYRPCVSFB-UHFFFAOYSA-N,3,1,0.449,54,691,451.824,4.154,5,0.371,0.76,0.983,0.829535329997944,0.8315142896305942,0.8588170790213145,0.8823932561167843,0.8505649886916592
EOS-3-17525,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)c4)n23)cn1,OHLZHCFAXIAFIE-UHFFFAOYSA-N,3,1,0.36,96,204,439.454,3.756,5,0.396,0.67,1.0,0.217454252621479,0.23702967582756493,0.4243283530943732,0.36883181413199917,0.31191102391885406
EOS-3-17526,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,GJVBJZVJAMLQPL-UHFFFAOYSA-N,3,1,0.43,56,350,463.465,2.413,6,0.362,0.68,1.0,0.33409293400041123,0.1842402851072579,0.16213761908025495,0.12891508464121718,0.2023464807072853
EOS-3-17527,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)cn1,SYQDNCFRNCQWHU-UHFFFAOYSA-N,3,1,0.523,24,486,434.822,3.41,5,0.387,0.69,1.0,0.5690836817216092,0.6447895963265027,0.5364008635460216,0.5572870262490577,0.5768902919607978
EOS-3-17528,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccn4)n23)nc1,VPNFAAQLPJUBMR-UHFFFAOYSA-N,3,1,0.292,76,935,432.451,3.106,6,0.418,0.64,1.0,0.13191350832705093,0.05931738743060791,0.13446645192241793,0.15774278664930436,0.12086003358234527
EOS-3-17529,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)cn1,RALTXAAPKQOIIG-UHFFFAOYSA-N,3,1,0.312,86,790,432.451,3.106,6,0.418,0.64,1.0,0.05780960866287437,0.044342402851072577,0.33188266739771094,0.28981049962305533,0.18096129463367833
EOS-3-17530,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,COAZXXPYYXPDBP-UHFFFAOYSA-N,3,1,0.286,70,596,432.451,3.106,6,0.418,0.64,1.0,0.04351997806867247,0.014640874511685286,0.24067918579946543,0.2541720923857172,0.1382530326913851
EOS-3-17531,Cc1cnc(-c2ncncc2-c2nnc3cncc(OCc4cccc(C)n4)n23)c(F)c1,JNDYILKVEQSYFU-UHFFFAOYSA-N,3,1,0.462,7,464,428.431,3.373,5,0.42,0.74,0.983,0.4714721403604962,0.4992632444657666,0.295079158385306,0.2510023302035501,0.3792042183537797
EOS-3-17532,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5F)n34)nc2)nn1,RXFSUZJRTCQOQI-UHFFFAOYSA-N,3,1,0.321,70,596,450.441,3.245,6,0.402,0.66,1.0,0.11817216092111575,0.2370382427523816,0.43920910150092524,0.4416164073744089,0.30900897813720785
EOS-3-17533,Cc1csc(-c2nc(C(F)F)ccc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,OQAIHUPHGFEFLS-UHFFFAOYSA-N,3,1,0.4,62,139,463.473,4.322,5,0.415,0.73,0.994,0.23111849770406415,0.22736618463436364,0.505414296484134,0.3848091289150846,0.3371770269344116
EOS-3-17534,Cc1cc(-c2nnc3cncc(Cc4ccc(C#N)nc4)n23)c(F)cc1-c1cnccn1,IUNUHKNOEDEQGJ-UHFFFAOYSA-N,3,1,0.333,85,81,422.427,3.553,5,0.436,0.69,0.998,0.39808786238091975,0.4279007607429237,0.7296792543348639,0.6831351518059078,0.5597007573161538
EOS-3-17535,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cn(C)nn6)c5)n34)cc2)n1,VEROANMRJDPYMN-UHFFFAOYSA-N,3,1,0.295,98,725,436.439,3.007,6,0.41,0.66,1.0,0.08772531012267837,0.08786238091974505,0.14066033856486876,0.122498457953533,0.10968662189020628
EOS-3-17536,Cn1cc(-c2cnnc(Oc3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)c2)cn1,ZMYAVPDILDEMKY-UHFFFAOYSA-N,3,1,0.386,67,622,437.423,3.429,6,0.399,0.74,1.0,0.3960146665752861,0.2524587074223837,0.4095247070111713,0.3237183880474265,0.3454291172640669
EOS-3-17537,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)ncn2)cn1,XFDXBPRYWCQUGL-UHFFFAOYSA-N,3,1,0.436,92,986,468.481,1.848,6,0.379,0.73,1.0,0.24214412994311563,0.1227897333972997,0.03562127338770475,0.0292474813241039,0.107450654513056
EOS-3-17538,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)c(F)c2)n1,BKAHEMODDXSJTK-UHFFFAOYSA-N,3,1,0.37,96,648,425.402,4.374,5,0.426,0.75,1.0,0.4225892673565897,0.5679871153450757,0.9296398464807073,0.922529298882873,0.7106863820163114
EOS-3-17539,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)c(Cl)c1,JWGXKTHKJYDYFQ-UHFFFAOYSA-N,3,1,0.477,90,12,409.837,2.482,4,0.539,0.8,1.0,0.455075046261394,0.4765523267767802,0.2805753546706874,0.19300424919470907,0.35130174422589266
EOS-3-17540,Cn1nc(C(F)F)nc1-c1cncc2nnc(-c3cccnc3-c3ncc(F)cn3)n12,IMBBHYSNVARMLJ-UHFFFAOYSA-N,3,1,0.286,50,489,424.35,2.516,5,0.433,0.66,0.915,0.13192207525186758,0.2320351586594476,0.1036854910561305,0.14009492152696867,0.1519344116236036
EOS-3-17541,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cn5)n34)cn2)cn1,OMNQUXVSDRBGEP-UHFFFAOYSA-N,3,1,0.264,32,179,431.463,4.009,6,0.449,0.7,1.0,0.09261702419299568,0.1034970187101638,0.45689980124734425,0.41313138235898844,0.26653630662737304
EOS-3-17542,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)cc2)nn1,ISXZHKZJRRABEJ-UHFFFAOYSA-N,3,1,0.337,98,927,423.404,1.02,6,0.403,0.71,1.0,0.007984373929134397,0.013304434240285106,0.01670550339250223,0.019104242341169215,0.014274638475772736
EOS-3-17543,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)nc1,XXANFIASFNOCMX-UHFFFAOYSA-N,3,1,0.384,67,789,450.466,3.175,6,0.393,0.69,1.0,0.3781012267836337,0.23204372558426428,0.20157974093619355,0.14723116989925297,0.23973896580083615
EOS-3-17544,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,KJVKMHWRPHMXIK-UHFFFAOYSA-N,3,1,0.293,8,474,436.439,3.182,6,0.4,0.67,0.999,0.10982797614968132,0.07429237201014324,0.04418819820437256,0.08116304571311082,0.07736789801932699
EOS-3-17545,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccccn3)n12,FXSIVXTZVBRZHN-UHFFFAOYSA-N,3,1,0.286,86,114,433.439,2.501,6,0.412,0.64,0.77,0.03220307038585429,0.02135734356795285,0.02197416215475293,0.03870536632170516,0.028559985607566306
EOS-3-17546,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)[nH]n2)nc1,KOXKQKVYMVPDBM-UHFFFAOYSA-N,3,1,0.394,7,775,424.787,2.133,5,0.45,0.64,0.999,0.43376910424234116,0.3430625042834624,0.18133609759440752,0.23356007127681447,0.2979319443492564
EOS-3-17548,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)ccc2F)o1,XWUZCKNVFFSXCY-UHFFFAOYSA-N,3,1,0.388,33,53,447.39,1.757,5,0.406,0.66,0.857,0.42730964293057366,0.22737475155918033,0.06063669385237475,0.039870468096771985,0.1887978891097252
EOS-3-17549,Fc1cccc(OCc2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)nc2)c1,OYPNPCHPCBIHEQ-UHFFFAOYSA-N,3,1,0.459,11,159,460.444,4.06,5,0.345,0.81,1.0,0.795181961483106,0.6988640257693098,0.8094287574532246,0.7784850250154205,0.7704899424302654
EOS-3-17550,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c(-c2ccncn2)n1,QDLXCNKPZRBTKB-UHFFFAOYSA-N,3,1,0.308,98,882,447.466,2.809,6,0.401,0.65,1.0,0.13446645192241793,0.044350969775889246,0.1258309917072168,0.11080460557878144,0.10386325474607636
EOS-3-17551,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c(-c2ncccn2)n1,XERMWIXWCVKCSZ-UHFFFAOYSA-N,3,1,0.316,98,608,447.466,2.809,6,0.401,0.65,1.0,0.12056233294496607,0.04078712905215544,0.07745356726749367,0.07183366458775958,0.0776591734630937
EOS-3-17552,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nncn6C)c5)n34)cc2)nn1,OZWIOHVLOQXMNQ-UHFFFAOYSA-N,3,1,0.297,8,765,447.466,2.809,6,0.401,0.65,1.0,0.0727588924679597,0.044359536700705915,0.13150229593585086,0.13113391816873415,0.09493866081831266
EOS-3-17553,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5ccccn5)s4)n23)c1,DOECWPQVUJVHLV-UHFFFAOYSA-N,3,1,0.341,32,541,453.466,3.968,6,0.395,0.74,0.271,0.10983654307449797,0.2939054896854225,0.1981872387087931,0.32067712973750945,0.23065160030155574
EOS-3-17554,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)n5)n34)nc2)n(C)n1,JLGFYWSXSJJHKC-UHFFFAOYSA-N,3,1,0.265,99,601,450.47,2.148,6,0.396,0.64,0.999,0.03914227948735522,0.0480347474470564,0.029504489068603933,0.024638475772736618,0.03532999794393804
EOS-3-17555,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnc(C)nn5)c4)n23)cn1,UQJUMCRPDCEIRI-UHFFFAOYSA-N,3,1,0.434,92,986,468.481,2.07,5,0.376,0.7,1.0,0.3734493866081831,0.16729490781988898,0.04934548694400658,0.018521691453635802,0.1521528682064286
EOS-3-17556,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnn5)nc(C)n4)n23)cc1,CMRAAWHGMRWOSU-UHFFFAOYSA-N,3,1,0.434,89,707,468.481,2.07,5,0.376,0.7,1.0,0.41549585360838875,0.1330614762524844,0.0686896031800425,0.02552943595367007,0.16069409224864642
EOS-3-17557,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)c2)nn1,PRJKZHPBZYHFKL-UHFFFAOYSA-N,3,1,0.227,86,953,434.427,1.896,6,0.404,0.65,0.944,0.02864779658693715,0.0060396819957508055,0.05499965732300734,0.07379549037077651,0.04087065656911795
EOS-3-17558,Cc1cnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n(C)n2)nc1,IMRIMSUGEWAKHW-UHFFFAOYSA-N,3,1,0.379,40,622,461.489,4.145,6,0.377,0.8,1.0,0.3549448290041807,0.26268761565348503,0.2299019943800973,0.19301281611952573,0.2601368137893222
EOS-3-17559,Cc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)n1,XATFOIKRJRDJFX-UHFFFAOYSA-N,3,1,0.494,20,279,430.447,3.051,5,0.408,0.68,1.0,0.6256939209101501,0.5496024946885066,0.35433657734219726,0.30536803509012406,0.45875025700774447
EOS-3-17560,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccn5)nn4)n23)cn1,UPDJYRMFIDZSNK-UHFFFAOYSA-N,3,1,0.333,10,705,451.881,4.149,6,0.397,0.72,1.0,0.009243711877184566,0.15952470701117127,0.43148173531629086,0.5732300733328765,0.2933700568843808
EOS-3-17561,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)nn2)n1,PCPPUJPAGLULOG-UHFFFAOYSA-N,3,1,0.353,38,115,450.441,3.339,6,0.402,0.66,1.0,0.02865636351175382,0.13664245082585155,0.2728908231101364,0.2839078884243712,0.18052438146802824
EOS-3-17562,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccc(C(F)F)nc5)n4)n23)cc1,XVAICCVROJPKMC-UHFFFAOYSA-N,3,1,0.523,27,335,449.396,4.299,5,0.382,0.74,1.0,0.9114779658693716,0.9377013227331917,0.8415975601398122,0.794565142896306,0.8713354979096704
EOS-3-17563,Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccc(C)c(C)c5)c4)n23)cn1,VFIPTGOSFKQDQS-UHFFFAOYSA-N,3,1,0.494,7,43,423.48,4.148,5,0.419,0.78,1.0,0.38039716263450074,0.17594750188472347,0.4675484887944623,0.32700808717702695,0.33772531012267837
EOS-3-17564,Cc1cccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)nn2C)n1,DIIYUPZMOIWDHO-UHFFFAOYSA-N,3,1,0.243,98,193,446.478,3.414,6,0.405,0.65,0.995,0.02503255431430334,0.010297443629634707,0.22616681516003015,0.22765746007813034,0.12228856829552465
EOS-3-17565,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3cncnc3-c3cccnc3)n12,KGUJXDPMRPIKBA-UHFFFAOYSA-N,3,1,0.333,94,213,463.465,2.509,6,0.375,0.7,0.998,0.14514940716880267,0.031183606332670824,0.13151086286066754,0.12250702487834966,0.10758772531012267
EOS-3-17566,Cn1c(Cl)nnc1-c1cccc(COc2cncc3nnc(-c4ccc(C#N)nc4)n23)c1,OJLHOBGOAMAJGO-UHFFFAOYSA-N,3,1,0.489,36,250,443.858,3.086,5,0.406,0.7,1.0,0.6612894935234048,0.7036700705914605,0.39906449181001985,0.4162754437667055,0.5450748749228976
EOS-3-17567,Cc1nc(-c2nnco2)cc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)n1,HCMIAGXQZWEZOR-UHFFFAOYSA-N,3,1,0.268,70,957,439.464,3.73,6,0.404,0.69,1.0,0.11250085669248167,0.08787094784456172,0.12859810842300048,0.1496727434720033,0.1196606641080118
EOS-3-17568,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)cnn4)n23)nn1,ZFDOCAAVPJFHGK-UHFFFAOYSA-N,3,1,0.374,53,587,445.378,0.645,5,0.388,0.64,0.695,0.40024672743472,0.21667466246316222,0.04419676512918923,0.03635802892193818,0.17436904598725242
EOS-3-17569,Cc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cn6)cn5)n34)cn2)n1,FZRCBTBOJHTGSF-UHFFFAOYSA-N,3,1,0.265,86,664,450.441,3.339,6,0.402,0.65,0.997,0.008515523267767802,0.10350558563498047,0.2950877253101227,0.30837502570077446,0.17887096497841135
EOS-3-17570,COc1cc(-c2nncc(C)n2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,VSANMKPRVMBVQY-UHFFFAOYSA-N,3,1,0.58,15,771,440.467,2.977,5,0.377,0.69,1.0,0.46664039476389557,0.2166832293879789,0.17171544102528957,0.10210917688986361,0.23928706051675694
EOS-3-17571,Cc1nc(-c2cc(-c3nnc4cncc(COCc5ccccn5)n34)ccc2Cl)nn1C,AKRGHXTXVWFXSR-UHFFFAOYSA-N,3,1,0.433,14,351,446.902,3.66,5,0.392,0.71,0.994,0.32655404016174355,0.4588530601055445,0.2086988554588445,0.24810670961551642,0.31055316633541225
EOS-3-17572,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cc(F)c(F)cn6)cn5)n34)cc2)nn1,UKEBHAKXHLWVRS-UHFFFAOYSA-N,3,1,0.298,42,635,468.431,3.384,6,0.387,0.7,1.0,0.15661195257350422,0.20690836817216093,0.5228479884860531,0.5309008978137207,0.3543173017613598
EOS-3-17573,Cn1nnc(-c2cc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)c(F)c5)n34)cnn2)n1,TUBWVFMBTAQJDT-UHFFFAOYSA-N,3,1,0.259,99,356,471.395,1.569,6,0.368,0.7,0.912,0.18136179836885752,0.17595606880954012,0.10369405798094716,0.19823007333287643,0.1648104996230553
EOS-3-17574,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)n1,XRFHBYMFFBDNIS-UHFFFAOYSA-N,3,1,0.274,86,601,434.427,1.896,6,0.404,0.63,0.997,0.037540264546638336,0.01762216434788568,0.038379823178671786,0.05031354944829004,0.035963950380371465
EOS-3-17575,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)c2)cnn1,FCULRVGJZFWYLK-UHFFFAOYSA-N,3,1,0.576,35,202,431.406,3.543,5,0.406,0.69,1.0,0.909893084778288,0.9138681378932219,0.7587125625385511,0.7483380165855664,0.8327029504489067
EOS-3-17576,c1cnc(-c2ccc(-c3nnc4cncc(OC5CCc6ccccc6C5)n34)cn2)nc1,FAOVTVDPFJYRAO-UHFFFAOYSA-N,3,1,0.426,89,770,421.464,3.58,6,0.438,0.75,1.0,0.4689277636899459,0.43252690014392436,0.2880628469604551,0.352640326228497,0.3855394592557056
EOS-3-17577,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnn6)n5)n34)nn2)cc1,MVRRFDHBWHUVAB-UHFFFAOYSA-N,3,1,0.316,10,887,449.413,2.696,6,0.395,0.64,0.011,0.2286340895072305,0.35259749160441367,0.18471146597217464,0.2927489548351724,0.26467300047974784
EOS-3-17578,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4csnn4)cn3)n12,QLHUVMLVJVQJBN-UHFFFAOYSA-N,3,1,0.524,73,446,440.851,3.471,5,0.409,0.69,1.0,0.4890600370091152,0.7585240901925845,0.4426787060516757,0.5372746898773216,0.5568843807826742
EOS-3-17579,Fc1cnnc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccccc6F)nc5)n34)cn2)c1,BNXASGXOXLBZGI-UHFFFAOYSA-N,3,1,0.383,10,151,454.404,3.169,6,0.399,0.64,1.0,0.013004591871701734,0.1518830100747036,0.4604036734973614,0.5407528613528888,0.2915110341991639
EOS-3-17580,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C#N)nc5)nc4)n23)nc1,HHFUDJQUQUBPCG-UHFFFAOYSA-N,3,1,0.277,70,179,457.461,2.977,6,0.391,0.65,1.0,0.09981324103899664,0.11005071619491467,0.3244979782057433,0.31466314851620864,0.21225627098896582
EOS-3-17581,CCn1cncc1-c1nc(COc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)ccc1F,UQIVOEHVPORREE-UHFFFAOYSA-N,3,1,0.438,89,398,472.484,3.147,5,0.387,0.73,0.999,0.4714807072853129,0.35767767802069766,0.3023953121787403,0.1762559111781235,0.3269524021657186
EOS-3-17582,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnn5)n4)n23)nc1,YDYJCUCRUGQJRD-UHFFFAOYSA-N,3,1,0.253,76,813,433.439,2.501,6,0.412,0.63,1.0,0.037548831471455005,0.013313001165101776,0.1589592899732712,0.15485573298608732,0.09116921389897882
EOS-3-17583,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)ncn2)cc1,OXUUQZUBWYQAGO-UHFFFAOYSA-N,3,1,0.413,44,488,434.822,3.41,5,0.414,0.65,0.998,0.6062213008018642,0.6498526488931533,0.5364094304708382,0.6101278185182647,0.6006527996710301
EOS-3-17584,COc1cc(-c2cnccn2)ccc1-c1nnc2cncc(Oc3cccc(F)c3F)n12,DUJMZTWPPVQIDK-UHFFFAOYSA-N,3,1,0.456,13,209,432.39,4.327,5,0.409,0.73,1.0,0.8165992735247756,0.6890120622301419,0.8758909601809335,0.8097371667466247,0.797809865670619
EOS-3-17585,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnnc(F)c6)nn5)n34)cc2)c1,ONSIJKCSTWZHJI-UHFFFAOYSA-N,3,1,0.381,3,783,453.416,3.774,6,0.401,0.68,1.0,0.016165787129052155,0.22738331848399698,0.6906911794942088,0.7687872661229525,0.4257568878075526
EOS-3-17586,Cc1cnc(Cc2cncc3nnc(-c4ccc(Cl)c(-c5cccc(F)n5)c4)n23)cn1,OVVCQEIIASNQKQ-UHFFFAOYSA-N,3,1,0.346,14,81,431.862,4.335,5,0.394,0.75,1.0,0.42021622918237267,0.5590004112123912,0.6745853608388733,0.7270063737920636,0.5952020937564252
EOS-3-17587,Cc1cnc(-c2ncncc2-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)nc1,MZOZNICHQYXRSL-UHFFFAOYSA-N,3,1,0.417,7,85,445.874,3.283,5,0.401,0.68,1.0,0.5690922486464258,0.5264546638338702,0.20870742238366116,0.21616921389897883,0.38010588719073396
EOS-3-17588,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cnn(C)c1,NQHLWBVFMMUNCE-UHFFFAOYSA-N,3,1,0.619,15,771,427.468,3.217,5,0.394,0.69,1.0,0.4361935439654582,0.3087091357686245,0.4063206771297375,0.2570848468233843,0.3520770509218011
EOS-3-17589,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cc1,LXVCSHZMWXTGGV-UHFFFAOYSA-N,3,1,0.289,8,890,422.416,1.624,6,0.416,0.67,1.0,0.025041121239120005,0.028407922692070455,0.03304262901788774,0.04364848194092249,0.03253503872250017
EOS-3-17590,Cc1ncc(Cc2cncc3nnc(-c4ccc(-c5ccc(C)c(C)n5)c(F)c4)n23)cn1,JRHSFXIDLKTQBG-UHFFFAOYSA-N,3,1,0.375,14,81,425.471,4.298,5,0.427,0.73,1.0,0.4066205194983209,0.38595709684051815,0.5533291069837571,0.4510914262216435,0.44924953738605994
EOS-3-17591,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)cn2)c1,UDFCGJFUWGRDNZ-UHFFFAOYSA-N,3,1,0.408,30,987,445.461,5.116,6,0.375,0.89,1.0,0.2338427797957645,0.40503563840723733,0.7271691453635802,0.7758464121718868,0.5354734939346172
EOS-3-17593,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(Cl)c1,XISNDVJPIXLOJZ-UHFFFAOYSA-N,3,1,0.553,35,161,449.877,4.001,5,0.389,0.71,1.0,0.853154341717497,0.8315228565554109,0.6988811596189431,0.702753409636077,0.771577941881982
EOS-3-17594,CC(C)(O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C(F)F)c5)cnn4)n23)cn1,PXAOGOBQNXDJEI-UHFFFAOYSA-N,3,1,0.349,50,974,449.425,3.129,5,0.435,0.63,0.718,0.14814783085463643,0.27797957645123705,0.7587211294633678,0.5271999862929203,0.42801213076554034
EOS-3-17595,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)c(F)c1,AWANYUJKGRIYAK-UHFFFAOYSA-N,3,1,0.545,26,626,433.422,3.487,5,0.381,0.72,1.0,0.8439620313892126,0.7269207045438969,0.7244534301966966,0.6800167911726407,0.7438382393256118
EOS-3-17596,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)c(F)c1,KLXURHLAFPSUGO-UHFFFAOYSA-N,3,1,0.506,37,639,433.422,3.487,5,0.381,0.72,1.0,0.8664245082585155,0.7625762456308683,0.5889246795970119,0.560319717634158,0.6945612877801385
EOS-3-17597,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)nc1,LLGOTNKAAJHOHG-UHFFFAOYSA-N,3,1,0.253,99,286,437.431,1.234,6,0.395,0.63,1.0,0.03473888013158796,0.044368103625522584,0.026111986841203482,0.02642896305942019,0.032911983414433556
EOS-3-17598,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)n2)cc1,IIBCGFLZSNJATC-UHFFFAOYSA-N,3,1,0.298,10,871,453.416,3.774,6,0.401,0.66,0.934,0.03221163731067096,0.15189157699952024,0.5533376739085738,0.6336183263655678,0.3427648036460832
EOS-3-17599,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnccc5Cl)cn4)n23)cc1,JETRMTKRJBFZBN-UHFFFAOYSA-N,3,1,0.316,98,882,466.896,3.759,6,0.386,0.73,1.0,0.1538020012336372,0.2069169350969776,0.3543451442670139,0.41628401069152215,0.28283702282228773
EOS-3-17600,COc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)n3)n12,RZLGYKZQPIRPLK-UHFFFAOYSA-N,3,1,0.459,47,248,435.835,2.607,5,0.4,0.72,1.0,0.5502193132753067,0.5590089781372078,0.27705434857103695,0.2071568089918443,0.39835986224384895
EOS-3-17601,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccnc(-c5nnnn5C)c4)n23)c1,HYZYCPKWLXWXDH-UHFFFAOYSA-N,3,1,0.262,39,495,447.466,2.809,6,0.401,0.66,1.0,0.03474744705640463,0.007264752244534302,0.06264135425947502,0.09002124597354534,0.04866869988348982
EOS-3-17602,Cc1ncnc(-c2ccccn2)c1-c1nnc2cncc(-c3ccc(-c4nnn(C)n4)cc3)n12,JXCFDCMFPBOVBY-UHFFFAOYSA-N,3,1,0.291,98,213,447.466,2.809,6,0.401,0.66,1.0,0.07879000753889384,0.06336954286889178,0.058597765746007814,0.06989753957919265,0.06766371393324652
EOS-3-17603,OCc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ccc2F)cn1,UWIMMHZKNXFBFM-UHFFFAOYSA-N,3,1,0.467,13,145,450.38,3.95,5,0.433,0.69,1.0,0.8597851415255979,0.8861113014872182,0.9207473785210061,0.9093705023644713,0.8940035809745733
EOS-3-17604,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)c(F)c5)n34)n2)cc1,RCBAQEVIVJKRKW-UHFFFAOYSA-N,3,1,0.343,3,118,452.428,4.379,6,0.395,0.71,1.0,0.029735796038653964,0.23205229250908094,0.7751524912617367,0.8302720855321774,0.4668031663354122
EOS-3-17605,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4cnccc4F)n23)nc1,PZLKGQYNGXZTPW-UHFFFAOYSA-N,3,1,0.297,86,953,451.429,2.64,6,0.398,0.63,0.991,0.16735487629360565,0.23206085943389762,0.1621461860050716,0.2161777808237955,0.1944349256390926
EOS-3-17606,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)cn1,YXIGEIDJNZWMAW-UHFFFAOYSA-N,3,1,0.303,32,191,435.426,3.635,6,0.39,0.68,0.986,0.006827839078884243,0.15190014392433693,0.5296672606401206,0.5343362346652045,0.3056828695771366
EOS-3-17607,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)c(F)cn2)nn1,CHOMKUABUCBWND-UHFFFAOYSA-N,3,1,0.506,16,772,432.394,3.204,5,0.417,0.64,1.0,0.6766756904941402,0.7131365225138784,0.5396819957508053,0.5442824343773559,0.618444160784045
EOS-3-17608,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc6[nH]cnc6n5)n34)cc2)nc1,BFSBFRSWJBVLAC-UHFFFAOYSA-N,3,1,0.337,38,193,420.436,3.8,6,0.462,0.71,1.0,0.21451579740936194,0.11308340758001507,0.4708553217736961,0.4194366390240559,0.3044727914467823
EOS-3-17610,Cc1cnc(-c2ccc(F)c(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)nc1,CIRKDDUPQAOBEZ-UHFFFAOYSA-N,3,1,0.712,59,293,448.408,4.553,5,0.393,0.79,1.0,0.972971352203413,0.9543554245767939,0.9140309094647385,0.897513878418203,0.9347178911657872
EOS-3-17611,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)n5)cn4)n23)nc1,SNRAHAIHHKVVGL-UHFFFAOYSA-N,3,1,0.387,46,128,451.277,3.924,5,0.371,0.72,1.0,0.617418271537249,0.7498629292029333,0.44979782057432666,0.5636436844630252,0.5951806764443835
EOS-3-17612,FC(F)c1ncc(-c2nnc3cncc(OCCc4ccc(-c5cnccn5)cn4)n23)cn1,JYBGKHMSZIOASL-UHFFFAOYSA-N,3,1,0.547,65,822,447.409,2.992,5,0.371,0.68,1.0,0.685628126927558,0.713145089438695,0.37308100884106643,0.2866664382153382,0.5146301658556645
EOS-3-17613,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C#N)c(C)n5)ncn4)n23)cc1,XTWCHIZXVTXZIT-UHFFFAOYSA-N,3,1,0.489,89,463,435.451,3.106,5,0.409,0.67,1.0,0.5773164964704269,0.5264632307586868,0.2805839215955041,0.22177198272907958,0.40153390788842436
EOS-3-17614,COc1cc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)ccc1Cl,DXEBPSJIQZAERI-UHFFFAOYSA-N,3,1,0.685,23,370,433.27,4.867,4,0.434,0.75,1.0,0.9894798163251319,0.9876550613391817,0.9555719279007607,0.9566599273524775,0.972341683229388
EOS-3-17615,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4csc(-c5ccccn5)n4)n23)cn1,RKRJVSNSLUTCMO-UHFFFAOYSA-N,3,1,0.505,24,786,470.518,3.176,6,0.385,0.77,1.0,0.28216023576177096,0.20692550202179424,0.023944554862586526,0.029256048248920568,0.13557158522376808
EOS-3-17616,Fc1ccc(-c2nnc3cncc(OCc4nccnc4Cl)n23)cc1-c1cnncn1,WAOFQRBNAIPJGP-UHFFFAOYSA-N,3,1,0.457,73,212,435.81,2.805,5,0.41,0.64,0.654,0.7639640874511685,0.8007247618394902,0.47769172777739705,0.5372832568021383,0.6449159584675485
EOS-3-17617,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cc1F,XZBHCSJHCZBFLX-UHFFFAOYSA-N,3,1,0.43,46,775,443.377,2.767,5,0.403,0.65,1.0,0.8810139812213008,0.74987149612775,0.5857035158659447,0.5372918237269549,0.6884702042354875
EOS-3-17618,COc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,YCTZTOHRPOLLCZ-UHFFFAOYSA-N,3,1,0.337,9,498,448.45,3.104,6,0.422,0.65,1.0,0.20356726749366047,0.08123158111164416,0.25488314714550064,0.24506545130559934,0.19618686176410113
EOS-3-17619,Cc1ccc(-c2cc(-c3nnc4cncc(Cc5cc(F)cc(F)c5)n34)ncn2)cn1,YPEPMUISVKLNEA-UHFFFAOYSA-N,3,1,0.34,44,81,415.407,3.821,5,0.444,0.82,0.98,0.2904273182098554,0.29391405661023917,0.7498286615036667,0.7508738263313001,0.5212609656637653
EOS-3-17620,Cc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccc4Cl)n23)cn1,IELGYIZDFUKXEP-UHFFFAOYSA-N,3,1,0.506,11,846,443.898,4.227,5,0.388,0.75,1.0,0.6519172777739702,0.7840877938455212,0.44268727297649235,0.4731084230004797,0.5879501918991159
EOS-3-17621,Cc1cnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,PATJGHKBIWICMH-UHFFFAOYSA-N,3,1,0.576,35,393,443.898,4.227,5,0.388,0.72,1.0,0.6886265506133918,0.7883541224042218,0.5985453361661298,0.5796724007950106,0.6637996024946885
EOS-3-17622,Fc1cc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)ncc1Cl,BBNWRCISPDBESE-UHFFFAOYSA-N,3,1,0.489,2,875,434.822,3.41,5,0.414,0.67,1.0,0.5830306353231444,0.6741655815228565,0.6661726406689055,0.6859451031457748,0.6523284901651702
EOS-3-17623,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,YIIKROSKEWXITH-UHFFFAOYSA-N,3,1,0.455,55,242,434.822,3.41,5,0.414,0.67,1.0,0.862158179699815,0.8315314234802276,0.5920773079295456,0.6037968610787472,0.7223909430470838
EOS-3-17624,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)ncc1Cl,YIMJDDWWTCDCCR-UHFFFAOYSA-N,3,1,0.494,55,540,434.822,3.41,5,0.414,0.67,1.0,0.7068826673977109,0.8007333287643068,0.6285038722500171,0.6336268932903845,0.6924366904256047
EOS-3-17625,Clc1cncc(CCOc2cncc3nnc(-c4cccc(-c5nnco5)c4)n23)n1,LXNWERXHHFBIMX-UHFFFAOYSA-N,3,1,0.477,20,846,420.82,2.906,5,0.408,0.73,1.0,0.6174268384620657,0.6595504077856212,0.21230553080666165,0.25709341374820094,0.43659404770063737
EOS-3-17627,Fc1cc(F)cc(-c2nnc3cncc(CCCc4ccc(-c5cnccn5)cn4)n23)c1,KCBMKDCXQKVTJY-UHFFFAOYSA-N,3,1,0.43,14,81,429.434,4.097,5,0.404,0.71,1.0,0.40662908642313755,0.5354927695154548,0.5629925981769583,0.6336354602152011,0.534687478582688
EOS-3-17628,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5nnccc5Cl)nc(C)n4)n23)cn1,RGWNCSAYTLEZEB-UHFFFAOYSA-N,3,1,0.451,51,185,446.862,2.678,5,0.397,0.66,0.934,0.4964447262010829,0.539973271194572,0.09145192241792886,0.09594099102186279,0.3059527277088616
EOS-3-17629,CCOc1cc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)c(F)cc1Cl,ANQABZNRHORDLG-UHFFFAOYSA-N,3,1,0.327,50,844,451.853,3.235,5,0.4,0.67,1.0,0.3872849701871016,0.5264717976835035,0.3691230895757659,0.41629257761633887,0.4247931087656775
EOS-3-17630,CCNC(=O)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5cccc(C(F)F)n5)n4)n23)cc1,XSKNJQQCLTXYSV-UHFFFAOYSA-N,3,1,0.355,74,333,461.436,3.326,5,0.397,0.75,0.641,0.220109999314646,0.2220289904735796,0.3318912343225276,0.2394626824754986,0.253373226646563
EOS-3-17631,N#Cc1cccc(COc2cncc3nnc(-c4ncc(-c5cc(F)ccc5F)cn4)n23)n1,LPZNVOQESKSBBQ-UHFFFAOYSA-N,3,1,0.467,4,71,442.389,3.372,5,0.407,0.68,0.999,0.6257024878349667,0.5881707902131451,0.7244619971215133,0.7325748749228976,0.6677275375231307
EOS-3-17632,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cn2)cc1,NMXIHJAHJALLAL-UHFFFAOYSA-N,3,1,0.353,30,945,418.42,3.965,6,0.423,0.83,1.0,0.18414604893427455,0.12637070797066685,0.3730895757658831,0.4131399492838051,0.2741865704886574
EOS-3-17633,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)nc1,LCRIEBQSTFVYPL-UHFFFAOYSA-N,3,1,0.44,7,535,431.847,2.974,5,0.413,0.65,1.0,0.5450106229867727,0.6595589747104379,0.19122232883284215,0.19007436090740867,0.39646657185936535
EOS-3-17634,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)nc1,RKGOVFIDIHSEBU-UHFFFAOYSA-N,3,1,0.549,2,491,434.822,3.41,5,0.414,0.64,1.0,0.5552480981426907,0.64986121581797,0.539690562675622,0.5857463504900281,0.5826365567815777
EOS-3-17635,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5cncnc5)c4)n23)ccc1Cl,QOFZDNUSRJHDJL-UHFFFAOYSA-N,3,1,0.573,59,817,433.834,4.015,5,0.413,0.7,1.0,0.9480073332876431,0.9590758001507779,0.8529487355218971,0.8512439174833801,0.9028189466109245
EOS-3-17636,Cc1nn(C)cc1-c1cnnc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)c1,DAPVSBPWXSFXQL-UHFFFAOYSA-N,3,1,0.429,53,511,434.41,3.147,5,0.419,0.66,1.0,0.3916541018436022,0.3478599821807964,0.6137687615653485,0.5763912685902268,0.4824185285449935
EOS-3-17637,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)nn1,NZTKKTYDCRJTEX-UHFFFAOYSA-N,3,1,0.471,13,145,451.824,4.676,5,0.392,0.77,1.0,0.6886351175382085,0.7963813309574396,0.8543794119662805,0.8767476526626002,0.8040358782811322
EOS-3-17638,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4nc(-c5cnccn5)ccc4F)n23)c1,HAPDPSOFVKUECM-UHFFFAOYSA-N,3,1,0.257,86,421,452.417,2.035,6,0.39,0.64,1.0,0.09262559111781235,0.18424885203207456,0.08922452196559523,0.13539167980261804,0.12537266122952503
EOS-3-17639,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnoc5)cc4F)n23)nc1,IERGLAXEMIPCRX-UHFFFAOYSA-N,3,1,0.421,33,119,446.402,2.314,5,0.417,0.6,1.0,0.40889932149955455,0.28843122472757177,0.302403879103557,0.20115139469536014,0.3002214550065109
EOS-3-17640,Cn1cc(-c2ncc(Cl)cc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,PKHFKDRRGABXBY-UHFFFAOYSA-N,3,1,0.628,16,772,452.305,4.473,5,0.391,0.76,1.0,0.755028784867384,0.8315399904050442,0.7349993146460146,0.7899818381193887,0.7778874820094579
EOS-3-17641,COc1ncc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)cc1-c1cncc(F)c1,FAANWEDCHUBMLH-UHFFFAOYSA-N,3,1,0.451,2,535,444.43,3.073,5,0.39,0.71,1.0,0.6034027825371805,0.5446165444452059,0.38062846960455077,0.26305599342060176,0.44792594750188475
EOS-3-17642,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1,DVPLTZXHWCMJOY-UHFFFAOYSA-N,3,1,0.77,91,876,430.899,4.467,5,0.397,0.74,1.0,0.9276523199232404,0.8580374888629977,0.682484065519841,0.694477760263176,0.7906629086423138
EOS-3-17643,CCn1nc(-c2ccccc2)nc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,UZCPDYZWXCJDEI-UHFFFAOYSA-N,3,1,0.288,30,195,433.479,3.922,6,0.409,0.73,0.953,0.001696251113700226,0.006048248920567473,0.05860633267082448,0.11790658625179905,0.04606435473922281
EOS-3-17644,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,YOIXNPWUTWNQEZ-UHFFFAOYSA-N,3,1,0.347,93,220,428.459,4.372,6,0.411,0.75,1.0,0.13965800836131861,0.09708039202247962,0.42433692001918993,0.5105630182989515,0.2929095846754849
EOS-3-17645,COc1ccc(-c2nnc3cncc(OCCc4ccoc4)n23)cc1-c1nccc(C)n1,DFGCRBJBVRJSQQ-UHFFFAOYSA-N,3,1,0.547,35,604,428.452,3.78,5,0.386,0.75,1.0,0.48906860393393187,0.23206942635871428,0.37309814269069974,0.22178054965389624,0.32900418065931053
EOS-3-17646,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4cc(F)ccn4)cc3)n12,FWIOJHNLICURHY-UHFFFAOYSA-N,3,1,0.368,93,553,448.465,4.455,6,0.396,0.76,1.0,0.14515797409361936,0.2626961825783017,0.4167123569323556,0.5105715852237681,0.33378452470701114
EOS-3-17647,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)c2)n1,VAFKDIZMFIOGGH-UHFFFAOYSA-N,3,1,0.318,30,737,448.465,4.455,6,0.396,0.76,1.0,0.105013364402714,0.18018812966897402,0.6609382496059215,0.6999263244465767,0.4115165170310465
EOS-3-17648,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccc2F)nn1C,USRDQURZKGCGHZ-UHFFFAOYSA-N,3,1,0.56,4,911,450.865,3.662,5,0.403,0.71,0.994,0.5064937290110342,0.6890206291549585,0.3806370365293674,0.42898876019464055,0.5012850387225002
EOS-3-17649,Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5nnc(C)o5)c4)n23)c(F)c1,YQUGNNGHTOKOTB-UHFFFAOYSA-N,3,1,0.5,43,97,435.394,3.71,5,0.385,0.72,1.0,0.7521845658282503,0.6890291960797752,0.5228565554108697,0.4787882941539305,0.6107146528682064
EOS-3-17650,Cc1cc(COc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)c(F)c(C)n1,MIEBOVFPQRQDBD-UHFFFAOYSA-N,3,1,0.433,92,36,430.447,3.317,5,0.422,0.7,1.0,0.40441881982043726,0.34307107120827907,0.5195925570557193,0.37215578096086627,0.40980955726132545
EOS-3-17651,COc1ncc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1-c1cccnc1,LFAFRCDFYFKWBD-UHFFFAOYSA-N,3,1,0.472,97,879,429.415,3.37,5,0.379,0.77,1.0,0.7670053457610856,0.6447981632513193,0.6018007675964636,0.46986155849496264,0.6208664587759578
EOS-3-17652,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)c1,PEOJAYLPSZIOLI-UHFFFAOYSA-N,3,1,0.461,18,840,434.912,4.585,5,0.389,0.8,1.0,0.6087913782468645,0.6212048523062161,0.5825851552326777,0.6424679597011856,0.6137623363717359
EOS-3-17653,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,SHCPUXZNMCXZPM-UHFFFAOYSA-N,3,1,0.506,20,658,428.431,3.107,5,0.406,0.68,1.0,0.682484065519841,0.6890377630045919,0.3731067096155164,0.3333476115413611,0.5194940374203275
EOS-3-17654,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)nc1,OFXMZDBGIPIRAY-UHFFFAOYSA-N,3,1,0.412,18,481,428.431,3.107,5,0.406,0.68,0.74,0.6174354053868824,0.4765608937015969,0.31726749366047563,0.29888287300390654,0.42753666643821536
EOS-3-17655,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)cn1,QOHFDAPETHQNOA-UHFFFAOYSA-N,3,1,0.309,70,392,437.492,3.772,6,0.414,0.68,0.999,0.1261137002261668,0.11005928311973134,0.22259440751147969,0.21618634774861215,0.1687384346514975
EOS-3-17656,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)cn1,MCHCLSABNOTJQT-UHFFFAOYSA-N,3,1,0.477,51,48,431.847,2.974,5,0.413,0.64,1.0,0.5604567884312247,0.5496110616133233,0.19476903570694262,0.1930213830443424,0.37446456719895826
EOS-3-17658,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)nn1,NCGGRAPUUVSQET-UHFFFAOYSA-N,3,1,0.424,31,477,429.419,2.502,5,0.401,0.67,0.64,0.6034113494619971,0.4676684257418957,0.18134466451922418,0.17922863408950723,0.3579132684531561
EOS-3-17659,Cc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cn1,CDBRWMVNCZPBBP-UHFFFAOYSA-N,3,1,0.684,7,408,462.42,3.527,5,0.358,0.76,1.0,0.7811579055582208,0.7585326571174011,0.6496213419231033,0.5343448015900213,0.6809141765471867
EOS-3-17660,Cc1nc(F)cnc1-c1ccc(-c2cncc3nnc(-c4cncc(F)c4C)n23)c(F)c1,LXJLYSLNDQPQTI-UHFFFAOYSA-N,3,1,0.333,96,575,433.397,4.344,5,0.421,0.72,0.604,0.3434137482009458,0.44114522650949217,0.7970495510931396,0.7922606401206223,0.5934672914810499
EOS-3-17661,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)nc4)n23)nc1)N1CCOCC1,ZUGGVTHOODISOL-UHFFFAOYSA-N,3,1,0.411,52,229,482.479,2.922,6,0.385,0.84,1.0,0.05260091837434035,0.0260006168185868,0.02017510794325269,0.08117161263792749,0.044987063943526834
EOS-3-17662,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ncon4)nc3)n12,MZNYCJPSZDXAQO-UHFFFAOYSA-N,3,1,0.405,8,474,456.857,3.352,6,0.392,0.69,1.0,0.16193201288465492,0.3190579809471592,0.10904838599136454,0.22447056404632992,0.20362723596737714
EOS-3-17663,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)cnn4)n23)nn1,WYLJZADHAMSPLO-UHFFFAOYSA-N,3,1,0.396,53,602,467.28,2.757,5,0.367,0.69,0.506,0.5040264546638339,0.5679956822698924,0.1652388458638887,0.28391645534918786,0.38029435953670065
EOS-3-17664,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)nn2C)cn1,COUNTLNBHXYULW-UHFFFAOYSA-N,3,1,0.449,95,493,430.447,3.051,5,0.408,0.69,1.0,0.38491193201288465,0.3237697895963265,0.3616698649852649,0.3146717154410253,0.34625582550887535
EOS-3-17665,CC(F)(F)c1ccc(-c2nnc3cncc(Cc4cc(-c5cccnn5)ncn4)n23)cc1,MSFORLWSDVCKTF-UHFFFAOYSA-N,3,1,0.345,14,740,430.422,3.741,5,0.419,0.67,1.0,0.4316273730381742,0.3526060585292303,0.8431139058323625,0.7483465835103831,0.5939234802275375
EOS-3-17666,COc1cc(-c2nccc(C)n2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,NLIPUCSNMHXJIH-UHFFFAOYSA-N,3,1,0.557,35,604,439.479,3.582,5,0.379,0.71,1.0,0.5040350215886505,0.1759646357343568,0.3465749434582962,0.21020663422657804,0.3091953087519704
EOS-3-17667,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)s2)nn1,RJWXJFMVDCCIQE-UHFFFAOYSA-N,3,1,0.325,76,14,439.464,3.73,6,0.404,0.7,0.971,0.1841546158590912,0.19295284764580906,0.12860667534781714,0.13329278322253443,0.15975173051881297
EOS-3-17668,Cc1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)n1C,JAVDCBYYLMRVJO-UHFFFAOYSA-N,3,1,0.549,34,146,451.412,3.892,5,0.403,0.71,1.0,0.7867692413131382,0.820377287368926,0.7350078815708313,0.7508823932561168,0.7732592008772531
EOS-3-17669,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)cc1F,CMERTGLGBJMVDA-UHFFFAOYSA-N,3,1,0.518,73,980,437.385,3.583,5,0.418,0.65,1.0,0.8884586388869852,0.7131536563635118,0.8892210951956686,0.8629463367829484,0.8384449318072784
EOS-3-17670,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nncn5C)cn4)n23)cc1,VXHOCBQEMVWYFN-UHFFFAOYSA-N,3,1,0.418,67,789,451.454,2.57,6,0.388,0.67,1.0,0.382633130011651,0.25724761839490096,0.11450551709958193,0.09002981289836201,0.21110401960112396
EOS-3-17671,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-n5cc(C)nn5)c4)n23)nc1,ZSBHWBZVUVXIAQ-UHFFFAOYSA-N,3,1,0.376,33,760,443.431,0.804,5,0.399,0.65,1.0,0.1619405798094716,0.04079569597697211,0.028322253443903777,0.00918374340346789,0.06006056815845384
EOS-3-17672,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cn2)nc1,CDFKMRSBTJLDST-UHFFFAOYSA-N,3,1,0.654,84,73,427.443,3.712,5,0.408,0.73,1.0,0.8510040435885134,0.8964687135905696,0.467557055719279,0.4381982043725584,0.6633070043177302
EOS-3-17673,Cc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(CO)cc5)n34)nc2)nn1,AAWPDKFDVASXHN-UHFFFAOYSA-N,3,1,0.427,85,886,424.468,2.624,5,0.442,0.67,1.0,0.18137036529367417,0.19296141457062574,0.19123089575765884,0.17089301624288944,0.18411392296621204
EOS-3-17674,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cncc(F)c5)n34)n2)n1,VGCXZWOUSFXYPM-UHFFFAOYSA-N,3,1,0.264,39,953,452.417,2.035,6,0.39,0.63,0.866,0.11250942361729833,0.15190871084915358,0.04596155164142279,0.08280789527791105,0.09829689534644644
EOS-3-17675,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4cnc(F)cn4)n23)cc1,UKCGLVIAUWHUOF-UHFFFAOYSA-N,3,1,0.354,86,167,452.417,2.035,6,0.39,0.63,1.0,0.14815639777945308,0.25246727434720034,0.07948392844904394,0.11791515317661572,0.14950568843807827
EOS-3-17676,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)o1,CHKNCLLIFOKNRV-UHFFFAOYSA-N,3,1,0.312,39,176,438.426,4.048,6,0.409,0.72,0.752,0.25030840929340004,0.2678963059420191,0.36167843191008153,0.4163011445411555,0.32404607292166404
EOS-3-17677,Cc1cn(C)nc1-c1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,AEERTLNVMGLZDH-UHFFFAOYSA-N,3,1,0.385,52,916,482.523,3.517,6,0.397,0.84,1.0,0.12612226715098349,0.15191727777397027,0.15896785689808787,0.17626447810294016,0.15331796998149544
EOS-3-17678,Fc1ccc(Oc2cncc3nnc(-c4cc(Cl)c(-c5cnccn5)cn4)n23)c(F)c1,UPUFHIHNPAOHCG-UHFFFAOYSA-N,3,1,0.419,13,110,437.797,4.367,5,0.412,0.69,1.0,0.7670139126859022,0.7455537660201494,0.8634003837982318,0.8919625111370023,0.8169826434103215
EOS-3-17680,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)c(C)n1,IYJNXTIJFBNBCM-UHFFFAOYSA-N,3,1,0.415,46,157,427.443,3.978,5,0.392,0.76,1.0,0.617443972311699,0.5218285244328695,0.5794153930505106,0.47311698992529644,0.5479512199300939
EOS-3-17681,c1ncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)cn1,GDWFPRKBDYMAIR-UHFFFAOYSA-N,3,1,0.301,42,761,435.476,3.829,6,0.411,0.68,1.0,0.13193064217668427,0.18425741895689124,0.34658351038311286,0.3526488931533137,0.25385511616750056
EOS-3-17682,Cc1cccnc1-c1cc(-c2nnc3cncc(OCc4cn(C)nc4F)n23)ccc1F,JJERWJUIBGSLEU-UHFFFAOYSA-N,3,1,0.517,16,772,433.422,3.752,5,0.42,0.7,1.0,0.5090381056815846,0.5355013364402714,0.6661812075937221,0.6038054280035638,0.5786315194297855
EOS-3-17683,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(CC5CCOC5)nc4)n23)nc1,WFCLKNLSQPINPR-UHFFFAOYSA-N,3,1,0.327,63,505,416.445,1.245,5,0.496,0.66,0.993,0.012105064765951613,0.001122267150983483,0.007984373929134397,0.012910355698718389,0.008530515386196971
EOS-3-17684,Fc1cc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1-c1ncc(Cl)cn1,XZTUBPMWUZNJHX-UHFFFAOYSA-N,3,1,0.578,37,325,448.849,3.452,5,0.389,0.67,1.0,0.9575080529093277,0.9616801452950449,0.5533462408333905,0.5888218764992118,0.7653390788842437
EOS-3-17685,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)cn4)n23)c(F)c1,DACYGRBGWUDYAL-UHFFFAOYSA-N,3,1,0.529,59,210,417.379,3.501,5,0.432,0.8,1.0,0.7609313960660681,0.8668442875745322,0.6496299088479199,0.6625659653210884,0.7349928894524022
EOS-3-17686,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3nccc(Cl)c3F)n12,SGJDBNRINVFUKM-UHFFFAOYSA-N,3,1,0.477,73,540,451.824,4.154,5,0.396,0.74,1.0,0.8394215612363786,0.8782211637310671,0.8543879788910973,0.8695514358165993,0.8603955349187855
EOS-3-17687,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,PZZIFWJBIWFDHE-UHFFFAOYSA-N,3,1,0.402,53,211,419.836,2.609,5,0.427,0.72,1.0,0.33645740524981155,0.3037488862997738,0.25140497566993353,0.2571019806730176,0.28717831197313415
EOS-3-17688,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)cc2)nc1,ARBPWYBELHEJLE-UHFFFAOYSA-N,3,1,0.343,38,57,418.42,3.965,6,0.423,0.82,1.0,0.17832054005894044,0.1366510177506682,0.40953327393598793,0.4289973271194572,0.28837553971626345
EOS-3-17689,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)n1,DINYTLSLDKNHRZ-UHFFFAOYSA-N,3,1,0.314,9,98,421.424,3.304,6,0.426,0.71,1.0,0.16999348913713933,0.10351415255979714,0.29882290453018984,0.27483551504352,0.21179151531766158
EOS-3-17690,CCn1cc(-c2nc(-c3nnc4cncc(OCc5cncs5)n34)ccc2F)cn1,ZRRPQHDXQPDYPU-UHFFFAOYSA-N,3,1,0.398,92,62,422.449,3.244,5,0.414,0.76,1.0,0.3315485573298609,0.3237783565211432,0.16850284421903913,0.15775135357412104,0.24539527791104107
EOS-3-17691,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nc5)n34)cn2)n1,HMTPHSCKMVUWGV-UHFFFAOYSA-N,3,1,0.282,86,812,437.427,2.402,6,0.404,0.64,1.0,0.142613597423069,0.07767630731272702,0.04121547529298883,0.03428483311630457,0.07394755328627237
EOS-3-17692,CCc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5nnc(C)s5)c4)n23)cn1,POZLPGWSKXHIEB-UHFFFAOYSA-N,3,1,0.467,4,677,448.487,3.689,5,0.387,0.74,1.0,0.5296758275649373,0.664382153382222,0.14979268041943664,0.13330135014735112,0.36928800287848673
EOS-3-17693,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5F)nn4)n23)c1F,GJUOTOYOVOJFIA-UHFFFAOYSA-N,3,1,0.44,54,691,435.369,3.64,5,0.389,0.72,0.921,0.7753409636077033,0.7671681173326023,0.8368943184154616,0.8421801110273456,0.8053958775957781
EOS-3-17694,Cc1cncc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)n2)n1,MLFBEHLHLDSSLX-UHFFFAOYSA-N,3,1,0.329,3,289,449.453,3.944,6,0.402,0.69,0.973,0.037557398396271674,0.19759612089644302,0.3731152765403331,0.4605321773696114,0.26720024330066483
EOS-3-17695,Cn1nncc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cn1,VYLHXQKTQOWVOC-UHFFFAOYSA-N,3,1,0.524,73,212,454.281,3.263,5,0.398,0.67,1.0,0.5014649441436502,0.7131622232883285,0.42038756767870605,0.5174165581522857,0.5381078233157426
EOS-3-17696,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cnccc5Cl)nn4)n23)cc1F,SXALBTGMOCMEKU-UHFFFAOYSA-N,3,1,0.301,74,997,474.847,2.48,5,0.383,0.73,1.0,0.08304776917277774,0.20693406894661093,0.47086388869851276,0.5174251250771024,0.319567712973751
EOS-3-17697,OCc1cccc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)ccn2)c1,UNTQXKDQVUZGQC-UHFFFAOYSA-N,3,1,0.505,57,709,445.429,4.203,5,0.422,0.76,1.0,0.9099016517031047,0.7362329518196148,0.9356795284764581,0.9192824343773559,0.8752741415941333
EOS-3-17698,Clc1ccccc1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,MPMGDTALMVEYAK-UHFFFAOYSA-N,3,1,0.75,11,201,428.883,4.523,5,0.395,0.77,1.0,0.7639726543759852,0.8518607360701802,0.727177712288397,0.7637327804811185,0.7766859708039202
EOS-3-17699,Cc1cc(OCc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)ccc1Cl,YNQIZYLSIOPDAL-UHFFFAOYSA-N,3,1,0.415,14,189,428.883,4.789,5,0.4,0.83,1.0,0.4337776711671578,0.42790932766774037,0.7296878212596807,0.735324857789048,0.5816749194709068
EOS-3-17700,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)nc2F)nc1,KHOBOIIMTKZSMR-UHFFFAOYSA-N,3,1,0.5,46,665,451.824,4.154,5,0.371,0.77,1.0,0.90032382975807,0.851869302994997,0.735016448495648,0.7899904050442054,0.81929999657323
EOS-3-17701,COc1cc(-c2nnc3cncc(OCc4nccnc4-c4ncccn4)n23)ccc1Cl,UQKYNXFDELFJPH-UHFFFAOYSA-N,3,1,0.484,7,242,446.858,3.279,5,0.387,0.72,1.0,0.7432321293948324,0.827984716606127,0.26201082859296826,0.2630645603454184,0.5240730587348366
EOS-3-17702,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(C(F)(F)F)c4)n23)c(F)c1,FYZHHHCALHYRSC-UHFFFAOYSA-N,3,1,0.404,66,685,473.405,4.571,5,0.431,0.78,1.0,0.42259783428140635,0.5831677061202111,0.9711037625933795,0.9627424439723117,0.7349029367418272
EOS-3-17703,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccccc4)n23)cc1,QFADINGUOWGCGM-UHFFFAOYSA-N,3,1,0.388,9,553,420.436,3.909,6,0.426,0.77,1.0,0.15110341991638682,0.0776848742375437,0.28059248852032076,0.3083835926255911,0.2044410938249606
EOS-3-17704,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)no1,GMUQYOTUOZTOIR-UHFFFAOYSA-N,3,1,0.371,22,649,414.216,2.944,5,0.443,0.83,1.0,0.25288705366321707,0.3907031731889521,0.22260297443629634,0.45431258995271057,0.330126447810294
EOS-3-17705,CCn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)n1,OTAKFQFLSBOJPY-UHFFFAOYSA-N,3,1,0.365,51,924,434.851,2.487,5,0.396,0.66,0.999,0.36408573778356523,0.4234973613871565,0.049354053868823244,0.06632513193064217,0.2258155712425468
EOS-3-17706,CCOC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(CC)nn4)n23)cc1F,ODDFKKZHIFFKDT-UHFFFAOYSA-N,3,1,0.457,90,636,423.408,2.434,4,0.413,0.74,1.0,0.49150161058186553,0.37667055033925023,0.08167706120211089,0.05032211637310671,0.25004283462408333
EOS-3-17707,Cc1ccc(-c2nnc3cncc(CCc4cc(Cl)c(-c5ccccc5)nn4)n23)cn1,ILNWDEGGACFDIU-UHFFFAOYSA-N,3,1,0.375,14,886,427.899,4.39,5,0.413,0.76,1.0,0.33155712425467754,0.4279178945925571,0.3172760605852923,0.4382067712973751,0.3787394626824755
EOS-3-17708,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4)n23)c1,GBRUKSKFKNMNGP-UHFFFAOYSA-N,3,1,0.386,25,791,449.453,3.85,6,0.403,0.67,1.0,0.10984510999931464,0.24248680693578234,0.3915341648961689,0.5041035569871839,0.31199240970461245
EOS-3-17709,OCc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)nc1,CCQNPVAJEUKUGJ-UHFFFAOYSA-N,3,1,0.494,13,145,448.845,4.325,5,0.427,0.71,1.0,0.8295438969227606,0.8315485573298609,0.8479370845041464,0.8440562675621959,0.8382714515797409
EOS-3-17710,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCCc3cncnc3)n12,LKMJFWKMWKEBPT-UHFFFAOYSA-N,3,1,0.553,15,361,429.444,2.007,5,0.383,0.68,1.0,0.3849204989377013,0.11309197450483174,0.14066890548968541,0.0828164622027277,0.18037446028373655
EOS-3-17711,Fc1ccc(-c2cnnc(Oc3cncc4nnc(-c5cncc(Cl)c5)n34)n2)cc1Cl,RCXLIYIPWYPBHZ-UHFFFAOYSA-N,3,1,0.376,73,575,455.24,4.277,5,0.396,0.78,1.0,0.6824926324446576,0.7036786375162771,0.7521845658282503,0.8403896237406621,0.7446863648824618
EOS-3-17712,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)n1,OOJJRYBMSCBBSJ-UHFFFAOYSA-N,3,1,0.523,11,325,431.406,3.543,5,0.38,0.72,1.0,0.9406911794942088,0.9119662805839216,0.605013364402714,0.5950157631416627,0.7631716469056269
EOS-3-17713,Fc1cnc(-n2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)nc1,SNSXHSVTJVCVDC-UHFFFAOYSA-N,3,1,0.568,73,756,440.801,3.278,5,0.414,0.69,1.0,0.6001987526557467,0.7036872044410938,0.6496384757727366,0.7083133438420944,0.6654594441779179
EOS-3-17714,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)nc5)n34)c(F)c2)c1,ISIRAADOBQPPCT-UHFFFAOYSA-N,3,1,0.306,98,314,451.469,3.793,6,0.405,0.71,1.0,0.2145243643341786,0.3283445274484271,0.569811870331026,0.5142896305942019,0.40674259817695835
EOS-3-17715,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)cc1,NNCMVWMIVDZNMO-UHFFFAOYSA-N,3,1,0.538,16,980,435.85,3.958,5,0.415,0.68,1.0,0.8621667466246317,0.7084932492632444,0.8052309642930574,0.792269207045439,0.7920400418065932
EOS-3-17716,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cn5)n34)nc2)n1C,VFZWJDHAKCYSQM-UHFFFAOYSA-N,3,1,0.286,86,652,465.456,2.948,6,0.386,0.68,1.0,0.1726663696799397,0.21669179631279556,0.09360222054691247,0.10418237269549722,0.14678568980878623
EOS-3-17717,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cn2)nn1,ZCFXYLLJTUGJGE-UHFFFAOYSA-N,3,1,0.315,98,219,465.456,2.948,6,0.386,0.68,0.996,0.1869045987252416,0.31383215680899185,0.2123140977314783,0.245074018230416,0.23953121787403195
EOS-3-17718,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(Cl)cc6)n5)n34)cc2)n1C,SZMSOQQMAZGXFC-UHFFFAOYSA-N,3,1,0.341,3,973,468.912,3.796,6,0.387,0.74,1.0,0.0852409019258447,0.2572561853197176,0.24068775272428208,0.3206856966623261,0.2259676341580426
EOS-3-17719,COCc1ncc(-c2nnc3cncc(OCc4cnc(Cl)c(Br)c4)n23)cn1,LLOWSEMUKSUUIB-UHFFFAOYSA-N,3,1,0.476,68,811,462.695,3.118,4,0.403,0.64,1.0,0.542397710917689,0.5264803646083202,0.37312384346514976,0.362569392091015,0.4511428277705435
EOS-3-17720,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)cn2)n1,FSZNYEIJRUMDBA-UHFFFAOYSA-N,3,1,0.298,99,286,436.443,1.839,6,0.406,0.64,0.999,0.08524946885066137,0.040804262901788776,0.03695771365910493,0.0332653690631211,0.04906920361866905
EOS-3-17721,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)cc2)cc1=O,IRAUXSNQUUDIJF-UHFFFAOYSA-N,3,1,0.575,43,178,462.872,3.924,5,0.393,0.74,1.0,0.7312812692755808,0.6791258309917072,0.8187667055033925,0.8182355561647591,0.76185234048386
EOS-3-17722,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)no4)n23)cc1,DDRWMLNISKHLQG-UHFFFAOYSA-N,3,1,0.462,56,8,452.438,2.611,6,0.371,0.7,1.0,0.3960232335001028,0.27302789390720306,0.07746213419231032,0.06820985539030909,0.20368077924748132
EOS-3-17723,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)c(F)cn2)cn1,GDXKFPTXJGZMBC-UHFFFAOYSA-N,3,1,0.289,70,957,449.453,3.85,6,0.403,0.68,1.0,0.12057089986978274,0.1801966965937907,0.6137773284901652,0.5920173394558289,0.3766405661023919
EOS-3-17724,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)nc2)nc1,YSXZDDCRURKGPZ-UHFFFAOYSA-N,3,1,0.274,30,543,443.474,4.076,6,0.401,0.69,0.998,0.047820574326639706,0.02600918374340347,0.25832705092180114,0.31157048865739156,0.16093182441230897
EOS-3-17725,Cc1ncc(-c2cc(-c3cncc4nnc(-c5cccnc5-c5ccncc5)n34)ccn2)cn1,AEILHOWUYQXGRY-UHFFFAOYSA-N,3,1,0.295,42,723,443.474,4.076,6,0.401,0.69,0.999,0.12057946679459941,0.07064286203824276,0.39907305873483656,0.3688403810568158,0.23978394215612364
EOS-3-17726,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c1Cl,LVRDESJEDWZBNV-UHFFFAOYSA-N,3,1,0.472,59,910,433.834,4.015,5,0.413,0.71,1.0,0.7312898362003976,0.7542748954835172,0.8260742923720101,0.8459752587211294,0.7894035706942636
EOS-3-17727,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)c(Cl)c3)n12,GVCIDLCTVLAGMI-UHFFFAOYSA-N,3,1,0.558,35,161,447.861,4.057,5,0.387,0.7,1.0,0.9379154958536083,0.9363306147625249,0.7905386882324721,0.8033548077582071,0.867034901651703
EOS-3-17728,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(-c5ncncc5Cl)ncn4)n23)cc1,XRIQSLWDYFTDBC-UHFFFAOYSA-N,3,1,0.366,52,916,483.923,3.175,6,0.39,0.86,1.0,0.29043588513467206,0.23704680967719827,0.1202624905763827,0.1954972243163594,0.2108106024261531
EOS-3-17729,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccccc4)n23)cn1,NACVOFFYQOLQSG-UHFFFAOYSA-N,3,1,0.324,30,945,433.479,3.654,6,0.421,0.69,1.0,0.06873243780412583,0.05541086971420739,0.28807141388527174,0.29275752175998904,0.1762430607908985
EOS-3-17730,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccccc4OC(F)F)n23)cc1,HVIMACJRBQLZQO-UHFFFAOYSA-N,3,1,0.374,62,124,474.431,3.271,5,0.398,0.75,0.929,0.5634552121170585,0.4851021177438147,0.5920858748543623,0.50048831471455,0.5352828798574464
EOS-3-17731,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5F)s4)n23)cc1,XZSPZOGMDFKCTO-UHFFFAOYSA-N,3,1,0.368,3,641,455.482,3.911,6,0.397,0.71,1.0,0.12336371736001644,0.2779881433760537,0.22617538208484683,0.3083921595504078,0.2339798505928312
EOS-3-17732,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,VVOOBZUISXDUAK-UHFFFAOYSA-N,3,1,0.304,25,508,421.428,2.434,6,0.46,0.67,1.0,0.12910355698718387,0.08787951476937839,0.1527568364060037,0.1792372010143239,0.13724427729422245
EOS-3-17733,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)n1,ICGLFLSEWDJFMC-UHFFFAOYSA-N,3,1,0.293,76,387,451.429,2.64,6,0.372,0.66,0.99,0.13193920910150092,0.21670036323761221,0.1621547529298883,0.21884209444177918,0.18240910492769516
EOS-3-17734,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4ncns4)nc3)n12,HCRUJZOEQQNYSB-UHFFFAOYSA-N,3,1,0.537,73,446,440.851,3.471,5,0.409,0.7,1.0,0.7894678226303886,0.8580460557878145,0.35435371119183057,0.4605407442944281,0.6156020834761154
EOS-3-17735,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,AXNWWKPJZSTETI-UHFFFAOYSA-N,3,1,0.357,30,220,430.475,4.316,6,0.414,0.74,1.0,0.07276745939277637,0.1035227194846138,0.2191076691110959,0.31468028236584195,0.177519532588582
EOS-3-17736,Cn1ncnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)n1,QFPSNYHSHSKACZ-UHFFFAOYSA-N,3,1,0.315,38,193,437.492,3.772,6,0.414,0.69,1.0,0.056104790624357484,0.06337810979370845,0.1464515797409362,0.16289150846412173,0.10720649715578096
EOS-3-17737,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)cn1,QICZQPFSAWFSIH-UHFFFAOYSA-N,3,1,0.233,86,953,434.427,1.989,6,0.405,0.62,1.0,0.006836406003700912,0.002193132753066959,0.035629840312521414,0.032134534987320953,0.01919847851415256
EOS-3-17738,c1cncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c1,OINATTVREGRAQZ-UHFFFAOYSA-N,3,1,0.269,64,449,435.476,3.829,6,0.411,0.69,0.999,0.09738880131587965,0.10353128640943048,0.1912394626824755,0.23947124940031525,0.15790769995202522
EOS-3-17739,c1ncc(-c2ncc(-c3nnc4cncc(-c5ncc(-c6ncco6)cn5)n34)cn2)cn1,KUQLFEZTQJDSLZ-UHFFFAOYSA-N,3,1,0.263,86,874,421.384,2.15,6,0.412,0.68,1.0,0.11818072784593242,0.07769344116236036,0.06264992118429169,0.06311253512439174,0.08040915632924406
EOS-3-17740,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)c(F)c1,WJMCKCAPBQXFNE-UHFFFAOYSA-N,3,1,0.395,25,228,466.455,4.594,6,0.378,0.82,1.0,0.2503169762182167,0.42350592831197315,0.7705691864848194,0.8382735933109451,0.5706664210814886
EOS-3-17741,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)n1,VPPDOPWSCXXYTF-UHFFFAOYSA-N,3,1,0.421,53,873,431.847,2.708,5,0.4,0.65,0.714,0.5040435885134672,0.5125933794805017,0.14980124734425332,0.21619491467342883,0.34565828250291275
EOS-3-17742,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,CSNUTEIBZPSXLW-UHFFFAOYSA-N,3,1,0.529,77,755,462.477,3.018,6,0.367,0.71,1.0,0.4989805359468165,0.2884397916523885,0.2514135425947502,0.25101089712836683,0.32246119183058053
EOS-3-17743,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)cc5F)ncn4)n23)cc1,ITFRSJKWVKGWRP-UHFFFAOYSA-N,3,1,0.523,34,633,451.824,4.154,5,0.396,0.72,1.0,0.9290401617435405,0.9501319306421767,0.7970581180179562,0.8403981906654787,0.879157100267288
EOS-3-17744,Fc1ccncc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)ccn1,GDYDOBGTQVEAAH-UHFFFAOYSA-N,3,1,0.506,73,980,451.824,4.154,5,0.396,0.72,1.0,0.8621753135494483,0.8488366116098965,0.879694674799534,0.8934188883558358,0.8710313720786786
EOS-3-17745,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,HHHSFRQJQAPROZ-UHFFFAOYSA-N,3,1,0.516,35,604,445.458,3.356,5,0.379,0.7,1.0,0.6733431567404564,0.49450860119251594,0.5329226920704544,0.39422417928860254,0.5237496573230074
EOS-3-17746,Clc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3nncnc3-c3cccnc3)n12,KUCKRWYJYASNCP-UHFFFAOYSA-N,3,1,0.286,98,615,453.857,3.144,6,0.426,0.64,0.999,0.20092008772531011,0.2779967103008704,0.2477126310739497,0.37530840929340004,0.2754844595983826
EOS-3-17747,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnncc4-c4ccccc4)n23)cc1,PBWSSAAXVHOBMD-UHFFFAOYSA-N,3,1,0.368,9,642,431.463,3.711,6,0.419,0.67,1.0,0.1344750188472346,0.05541943663902406,0.4063292440545542,0.4480844356109931,0.26107703378795144
EOS-3-17748,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,IJKJZWIOYBYSAN-UHFFFAOYSA-N,3,1,0.568,97,232,433.834,4.015,5,0.386,0.72,1.0,0.8531629086423137,0.952136591049277,0.7426410115824823,0.7734990747721198,0.8303598965115482
EOS-3-17749,c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc(-n2cccn2)c1,NOXRJIUJIVIEQV-UHFFFAOYSA-N,3,1,0.286,32,957,417.436,3.496,6,0.433,0.77,0.998,0.0025700774450003426,0.006639366732917552,0.32450654513055993,0.3494876978959633,0.17080092180111028
EOS-3-17750,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)n1,VMPYLKGPWDLMRA-UHFFFAOYSA-N,3,1,0.306,32,339,447.437,3.906,6,0.375,0.71,1.0,0.2931858680008224,0.31906654787197586,0.5951528339387293,0.6101363854430814,0.4543854088136522
EOS-3-17751,Fc1cc(F)cc(COc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)c1,IJRMJZRELZRKCH-UHFFFAOYSA-N,3,1,0.518,59,16,434.381,4.245,5,0.412,0.74,1.0,0.8573949695017477,0.8385134672058118,0.9207559454458227,0.9225378658076897,0.8848005619902679
EOS-3-17752,FC(F)(F)c1cncc(COc2cncc3nnc(-c4ccc(OC5CCOCC5)nc4)n23)n1,OTTOUMODGDKHNS-UHFFFAOYSA-N,3,1,0.427,68,127,473.415,3.132,5,0.417,0.69,1.0,0.48403981906654786,0.3859656637653348,0.49479130971146595,0.4257847303132068,0.44764538071413884
EOS-3-17753,COc1cc(-c2nnc3cncc(OCc4cncnc4OC)n23)ccc1-c1ccccn1,XCUBKAQLFSRXAJ-UHFFFAOYSA-N,3,1,0.436,97,61,441.451,3.24,5,0.376,0.72,1.0,0.46893633061476253,0.18020526351860736,0.36913165650058255,0.19550579124117606,0.3034447604687821
EOS-3-17754,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2F)c[nH]1,BIOCVHSKQCYJIU-UHFFFAOYSA-N,3,1,0.57,35,393,428.431,2.816,5,0.429,0.77,1.0,0.8343413748200946,0.6693681036255226,0.5920944417791789,0.5238331848399699,0.6549092762661914
EOS-3-17755,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cncs6)no5)n34)nc2)cc1,IEHBQUYJNFKQQT-UHFFFAOYSA-N,3,1,0.295,42,957,438.476,4.335,6,0.4,0.79,0.999,0.20357583441847715,0.1929699814954424,0.1947776026317593,0.24234973613871566,0.20841828867109863
EOS-3-17756,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)nc1,KXEAUSANXQAUFL-UHFFFAOYSA-N,3,1,0.255,10,871,420.44,2.834,6,0.432,0.7,0.948,0.004214927009800562,0.012105064765951613,0.1406774724145021,0.15486429991090397,0.07796544102528957
EOS-3-17757,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cc1,SGVZMJTWGCYNDF-UHFFFAOYSA-N,3,1,0.295,98,620,420.44,2.834,6,0.432,0.7,1.0,0.017990542115002398,0.016054417106435473,0.229910561304914,0.23356863820163115,0.12438103968199575
EOS-3-17758,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cn5)n34)s2)cc1,NJSJOSAJLWJUPY-UHFFFAOYSA-N,3,1,0.273,76,387,423.465,3.762,6,0.459,0.73,1.0,0.10242615310808033,0.17597320265917346,0.22261154136111302,0.30195839901309024,0.20074232403536424
EOS-3-17759,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)nc1,XKVMBBUBOCQTKV-UHFFFAOYSA-N,3,1,0.306,86,654,452.417,2.035,6,0.39,0.62,1.0,0.2035844013432938,0.2780052772256871,0.07519189911589336,0.11792372010143239,0.16867632444657665
EOS-3-17760,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cc1,BIOPEQAGYNBXBP-UHFFFAOYSA-N,3,1,0.54,89,656,468.542,4.386,6,0.381,0.82,1.0,0.35255465698033034,0.16730347474470564,0.29509629223493933,0.30196696593790695,0.27923034747447056
EOS-3-17761,Cc1ncc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)n1C,BOOZSLYVPPSKHV-UHFFFAOYSA-N,3,1,0.615,43,521,432.434,4.357,5,0.413,0.73,1.0,0.9068689603180042,0.7713487766431362,0.8529573024467137,0.8119988348982249,0.8357934685765197
EOS-3-17762,Clc1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)nn1,MUZKLVSTLLSTOM-UHFFFAOYSA-N,3,1,0.301,98,63,465.868,3.211,6,0.382,0.68,1.0,0.3482197930230964,0.3669899252964156,0.23696970735384826,0.3398156397779453,0.32299876636282643
EOS-3-17763,Cc1nc(-c2cccnn2)cc(-c2cncc3nnc(-c4cncnc4-c4ncccn4)n23)n1,DYGKBRIDAWOWQK-UHFFFAOYSA-N,3,1,0.235,86,892,446.438,2.261,6,0.393,0.64,0.996,0.1319477760263176,0.03722328832842163,0.0412240422178055,0.04498492221232266,0.06384500719621684
EOS-3-17764,Cc1ccnc(-c2cc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cnn2)n1,SJQMPWMUTJEGGS-UHFFFAOYSA-N,3,1,0.238,86,953,445.45,2.866,6,0.399,0.64,1.0,0.11546501267904873,0.021365910492769515,0.08435850866972791,0.10000171338496333,0.08029778630662737
EOS-3-17765,CCCc1cnc(Cc2cncc3nnc(-c4ccc(-c5ccnc(C)c5)nc4)n23)cn1,RFNYNYXGGWEYGV-UHFFFAOYSA-N,3,1,0.316,85,290,422.496,3.89,5,0.41,0.75,1.0,0.22864265643204715,0.1886351175382085,0.14646014666575286,0.11793228702624906,0.17041755191556437
EOS-3-17766,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)n(C)n1,HTJRSGZMEOWMCG-UHFFFAOYSA-N,3,1,0.418,53,587,433.863,2.918,5,0.416,0.67,1.0,0.32915838530601055,0.33290213145089437,0.19124802960729217,0.17924576793914057,0.2581385785758344
EOS-3-17767,Cc1ncoc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cn4)n23)cc1F,RJSIPBRWDKAPTO-UHFFFAOYSA-N,3,1,0.314,98,314,454.429,3.146,6,0.395,0.67,1.0,0.2738931533136865,0.31907511479679257,0.22262010828592968,0.2244791309711466,0.26001687684188884
EOS-3-17768,Cn1nnnc1-c1nncc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)c(F)c4)n23)n1,CEQGTYDKWJOLDO-UHFFFAOYSA-N,3,1,0.333,99,507,470.407,2.174,6,0.377,0.68,1.0,0.08305633609759441,0.242495373860599,0.10370262490576383,0.23063018298951407,0.1649711294633678
EOS-3-17769,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)cc4F)n23)cc1,DWMNZCGLYGOVKK-UHFFFAOYSA-N,3,1,0.325,9,42,451.469,3.793,6,0.405,0.65,1.0,0.21746281954629565,0.23705537660201495,0.559728599821808,0.5373003906517716,0.38788679665547254
EOS-3-17770,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nn5)c4)n23)c1,CXKQMXKACLYTKU-UHFFFAOYSA-N,3,1,0.575,84,73,447.861,4.057,5,0.387,0.71,1.0,0.8115533548077583,0.8488451785347132,0.7165804262901789,0.7559454458227675,0.7832311013638544
EOS-3-17771,c1cnc(-c2ccc(-c3ncccc3-c3nnc4cncc(-c5cccnn5)n34)nc2)nc1,NRMXMAMPZJYYNS-UHFFFAOYSA-N,3,1,0.26,70,935,430.435,3.162,6,0.415,0.66,1.0,0.1590877938455212,0.10019018573093003,0.17172400795010623,0.20115996162017682,0.15804048728668357
EOS-3-17772,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(F)c1,ULCABQTYNLDYOV-UHFFFAOYSA-N,3,1,0.516,37,589,450.865,3.396,5,0.391,0.67,1.0,0.7190477006373792,0.7455623329449661,0.46041224042217804,0.5105801521485848,0.608900606538277
EOS-3-17773,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cc2)nn1,IFTWKLRVWDIQRA-UHFFFAOYSA-N,3,1,0.325,69,270,442.486,4.681,6,0.391,0.78,1.0,0.07879857446371051,0.11310054142964841,0.49479987663628267,0.4787968610787472,0.2913739634020972
EOS-3-17774,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nccnn6)cc5)n34)o2)c1,VSLIEVCSQVGKCV-UHFFFAOYSA-N,3,1,0.385,3,641,453.853,4.014,6,0.389,0.73,1.0,0.16194914673428826,0.3813652251387842,0.34659207730792957,0.45746521828524433,0.3368429168665616
EOS-3-17775,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cn2)n(C)n1,SSYKIIIMNPRSLM-UHFFFAOYSA-N,3,1,0.286,25,373,449.482,2.753,6,0.403,0.64,1.0,0.07880714138852718,0.05932595435542458,0.0892330888904119,0.08810225481461174,0.07886710986224385
EOS-3-17776,Cc1cc(-c2nnc3cncc(OCc4cc(-c5nnc(C)n5C)cnn4)n23)ccc1Cl,FOPZJUDNGXQOLV-UHFFFAOYSA-N,3,1,0.472,36,404,447.89,3.226,5,0.404,0.69,1.0,0.4155044205332054,0.6166558152285656,0.16524741278870536,0.1982386402576931,0.3489115722020424
EOS-3-17777,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)nn2)cc1,FWMWCEKYCFZZJD-UHFFFAOYSA-N,3,1,0.314,30,541,419.408,3.36,6,0.423,0.77,0.99,0.16195771365910494,0.08788808169419506,0.19478616955657596,0.2510194640531835,0.17391285724076486
EOS-3-17779,Cc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)n(C)n4)n23)n1,DWNGKVBUFOAFPI-UHFFFAOYSA-N,3,1,0.378,95,694,433.863,2.918,5,0.389,0.74,1.0,0.30874340346789114,0.3766791172640669,0.1557124254677541,0.1577599204989377,0.24972371667466245
EOS-3-17780,Cc1cnnc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)n1,DEFVRKSUZXBRRK-UHFFFAOYSA-N,3,1,0.446,46,122,431.847,2.974,5,0.387,0.71,1.0,0.3960318004249195,0.4588616270303612,0.1847200328969913,0.21331642793502845,0.3132324720718251
EOS-3-17781,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)nn2)cn1,JKOZJQGLWRFZTM-UHFFFAOYSA-N,3,1,0.43,54,411,433.382,2.333,5,0.398,0.65,0.419,0.7190562675621959,0.6212134192310328,0.3466006442327462,0.37867521074635047,0.5163863854430814
EOS-3-17782,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)nc1,MYSAJAIBGHBDEU-UHFFFAOYSA-N,3,1,0.438,87,65,433.382,2.333,5,0.398,0.65,1.0,0.6428963059420191,0.5538345555479405,0.2691813446645192,0.3146888492906586,0.4451502638612843
EOS-3-17783,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncncc5Cl)nc4)n23)nc1,SYUOXCSXYTZSPQ-UHFFFAOYSA-N,3,1,0.374,33,53,473.884,2.63,5,0.395,0.71,0.986,0.594801590021246,0.37171886779521623,0.2336029059008978,0.17627304502775684,0.3440991021862792
EOS-3-17784,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nc[nH]n5)c4)n23)cc1,NYPAONMRPLVZBY-UHFFFAOYSA-N,3,1,0.506,67,755,450.466,2.951,6,0.411,0.64,1.0,0.5890017819203619,0.34786854910561305,0.2806010554451374,0.23947981632513193,0.3642378006990611
EOS-3-17785,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ncccc5F)ns4)n23)cc1,XMEKAJZEYKMMKB-UHFFFAOYSA-N,3,1,0.469,89,731,462.47,2.783,5,0.409,0.67,1.0,0.42959701185662397,0.432535467068741,0.09361078747172914,0.07582585155232678,0.2578922794873552
EOS-3-17786,Cc1cc(Cl)cnc1-c1nnc2cncc(-c3ncnc(-c4ccc(Cl)nc4)n3)n12,SYILTDAWIRFADL-UHFFFAOYSA-N,3,1,0.279,50,261,436.266,3.716,5,0.394,0.69,0.287,0.35962236995408126,0.40048660132958674,0.2442258926735659,0.4004437667055034,0.3511946576656843
EOS-3-17787,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)n4)n23)c1,KRJVTUVTNMITPS-UHFFFAOYSA-N,3,1,0.459,56,506,451.454,2.346,6,0.404,0.63,1.0,0.2714772805153862,0.18864368446302515,0.1145140840243986,0.09594955794667946,0.16764615173737235
EOS-3-17788,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)cnn4)n23)nn1,NJXJGOSEPJOLLE-UHFFFAOYSA-N,3,1,0.369,53,587,458.417,1.511,5,0.372,0.65,0.998,0.4066376533479542,0.3087177026934412,0.11452265094921527,0.08627749982866151,0.22903887670481804
EOS-3-17789,Cc1c(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)c2)cnn1C,YRFIKMAWUBEKAO-UHFFFAOYSA-N,3,1,0.281,99,899,449.482,2.753,6,0.403,0.65,0.999,0.07455794667945995,0.04437667055033925,0.1231666780892331,0.09389349599067918,0.08399869782742787
EOS-3-17790,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)c1,YMDZXCKAACDBLO-UHFFFAOYSA-N,3,1,0.396,18,211,434.41,2.882,5,0.405,0.64,0.884,0.5040521554382839,0.30872626961825783,0.4983208827359331,0.4698701254197793,0.4452423583030635
EOS-3-17791,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cn1,RWRAVIXFRNCTDB-UHFFFAOYSA-N,3,1,0.471,51,388,418.848,3.214,5,0.432,0.73,1.0,0.43620211089027483,0.45003769446919334,0.3990816256596532,0.40045233363032007,0.4214434411623604
EOS-3-17792,Cc1c(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)no2)cnn1C,MQEUZCFBACLUBQ-UHFFFAOYSA-N,3,1,0.316,70,687,435.451,3.612,6,0.413,0.69,1.0,0.03619525735042149,0.023627578644369818,0.19125659653210883,0.17090158316770612,0.10549525392365156
EOS-3-17793,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5OC)n4)n23)cc1Cl,OAPIPVVOXAAPQB-UHFFFAOYSA-N,3,1,0.37,61,124,472.896,3.332,5,0.413,0.7,0.993,0.46174011376876156,0.45004626139401,0.33908745116852856,0.30840072647522443,0.38981863820163115
EOS-3-17794,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnnc5)nc4)n23)cc1,BUFIHDXGSVJXKE-UHFFFAOYSA-N,3,1,0.368,69,553,446.449,4.511,6,0.393,0.75,1.0,0.352563223905147,0.4945171681173326,0.737338085120965,0.7712802412446028,0.5889246795970119
EOS-3-17795,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnn5)cc4)n23)c1,RBZUWLLSRUYGBZ-UHFFFAOYSA-N,3,1,0.333,64,885,446.449,4.511,6,0.393,0.75,1.0,0.24215269686793228,0.3037574532245905,0.5857120827907615,0.6740285107257898,0.4514126859022686
EOS-3-17796,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)cn1,JPWVSKVPLFJHHW-UHFFFAOYSA-N,3,1,0.333,38,714,421.424,3.304,6,0.426,0.72,1.0,0.1154735796038654,0.08789664861901172,0.3731324103899664,0.3237269549722432,0.2250573983962717
EOS-3-17797,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)cc4)n23)cn1,NYVVTOVWELLSKN-UHFFFAOYSA-N,3,1,0.309,39,972,466.896,3.759,6,0.386,0.76,1.0,0.16469056267562196,0.22203755739839628,0.2261839490096635,0.339824206702762,0.23818406894661093
EOS-3-17798,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)n1,ROGXULOYBSCODT-UHFFFAOYSA-N,3,1,0.527,75,420,444.886,3.622,5,0.391,0.67,1.0,0.7670224796107189,0.7222945651428964,0.2770629154958536,0.28085806318963746,0.5118095058597766
EOS-3-17799,Cc1csc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n2)n1,RMLHHCCMWIOGTO-UHFFFAOYSA-N,3,1,0.3,39,527,457.458,2.795,6,0.393,0.68,0.991,0.021802823658419575,0.1263792748954835,0.016003015557535468,0.04115550681927215,0.051335155232677676
EOS-3-17800,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnc(C)nc5C)nc4)n23)n1,CRAFFYBUMDVYHH-UHFFFAOYSA-N,3,1,0.444,7,567,430.497,3.604,5,0.417,0.78,1.0,0.3166335412240422,0.3190836817216092,0.07520046604071003,0.03742032759920499,0.1870845041463916
EOS-3-17801,COCc1ccc(-c2nnc3cncc(-c4cc(-c5nncn5C)cnc4OC)n23)cn1,XVLBDSJMCRANOV-UHFFFAOYSA-N,3,1,0.333,82,974,429.444,2.199,5,0.4,0.69,1.0,0.17832910698375712,0.0879052155438284,0.12027105750119937,0.06312110204920841,0.11240662051949832
EOS-3-17802,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)nc1,XGGWJUDMZFMNJN-UHFFFAOYSA-N,3,1,0.488,51,196,451.277,3.924,5,0.396,0.7,1.0,0.8140377630045919,0.8165478719758755,0.5533548077582071,0.6424765266260023,0.7066042423411691
EOS-3-17803,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cnccn5)n34)n2)nn1,KGPBMKXZAPSWHU-UHFFFAOYSA-N,3,1,0.278,86,953,446.438,2.261,6,0.393,0.63,0.967,0.06142485093550819,0.04804331437187307,0.023953121787403192,0.029264615173737234,0.040671475567130425
EOS-3-17804,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)nc2)n1C,VHSGULWVMNTMRZ-UHFFFAOYSA-N,3,1,0.29,10,37,452.457,3.282,6,0.404,0.67,0.987,0.01532622849701871,0.1366595846754849,0.27707148242067026,0.2958073469947228,0.18121616064697416
EOS-3-17805,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)cn2)o1,MWFQSVWISJJBDE-UHFFFAOYSA-N,3,1,0.312,64,449,450.437,4.413,6,0.389,0.75,0.983,0.3265626070865602,0.41447638955520527,0.44618257830169283,0.4731255568501131,0.41508678294839285
EOS-3-17806,Fc1cccc(-n2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)c1,SRBWINYLMNKTQC-UHFFFAOYSA-N,3,1,0.367,32,705,434.438,4.24,6,0.413,0.71,0.998,0.031029401685970803,0.19297854842025908,0.6407545747378521,0.6831437187307244,0.3869765608937016
EOS-3-17807,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1F,HZXOEMVVGGFVNV-UHFFFAOYSA-N,3,1,0.494,20,279,450.865,3.396,5,0.391,0.68,1.0,0.7696096909053526,0.7409361935439654,0.5262062230141868,0.5539030909464738,0.6476637996024946
EOS-3-17808,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,ROLVXXVPMJZCJN-UHFFFAOYSA-N,3,1,0.258,99,286,450.47,2.62,6,0.419,0.66,0.992,0.112517990542115,0.08124014803646083,0.01936125008566925,0.016816873415118908,0.05748406551984099
EOS-3-17809,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5F)n34)nc2)cn1,VXSKKCNBXQBQMF-UHFFFAOYSA-N,3,1,0.317,42,714,451.469,3.793,6,0.405,0.69,1.0,0.16469912960043862,0.28844835857720513,0.5732643410321431,0.5142981975190186,0.38517750668220135
EOS-3-17810,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)nc1,QQFPFXCCEZEYDX-UHFFFAOYSA-N,3,1,0.429,54,873,432.394,2.938,5,0.403,0.63,0.998,0.6257110547597834,0.5171681173326023,0.48481940922486466,0.527208553217737,0.5387267836337468
EOS-3-17811,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,NFNDQYKLAHVFSG-UHFFFAOYSA-N,3,1,0.34,10,871,451.881,4.149,6,0.397,0.71,0.777,0.047829141251456375,0.2023336303200603,0.41672092385717224,0.547375094236173,0.3035646974162155
EOS-3-17812,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)nc4)n23)ccc1F,OFBWFTFXKORDDE-UHFFFAOYSA-N,3,1,0.495,87,579,430.447,3.051,5,0.408,0.7,1.0,0.6002073195805634,0.54961962853814,0.3280189843053937,0.2541806593105339,0.43300664793365773
EOS-3-17813,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1F,MXKKYLBUUBTCBH-UHFFFAOYSA-N,3,1,0.524,20,658,430.447,3.051,5,0.408,0.7,1.0,0.5348331163045713,0.5355099033650881,0.3653450757316154,0.3053766020149407,0.4352661743540539
EOS-3-17814,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)c4)n23)cc1F,ZPRDBXIRUSJNLX-UHFFFAOYSA-N,3,1,0.722,59,13,434.381,4.245,5,0.412,0.72,1.0,0.9785055856349805,0.9590843670755945,0.9509714892742102,0.9442978548420259,0.9582148242067027
EOS-3-17815,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)[nH]1,GGNUBOPDCGLNPF-UHFFFAOYSA-N,3,1,0.318,10,407,436.414,3.235,6,0.447,0.63,0.985,0.18137893221849086,0.3037660201494072,0.33189980124734425,0.4322184908505243,0.31231581111644163
EOS-3-17816,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnon6)nc5)n34)cn2)ccn1,VBHDGSNLXPUZRC-UHFFFAOYSA-N,3,1,0.299,70,723,438.386,2.894,6,0.378,0.73,0.998,0.25802720855321776,0.24759269412651636,0.3390960180933452,0.3786837776711672,0.30584992461106164
EOS-3-17817,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc(C)n2)cn1,YXPPKOGDAYEULB-UHFFFAOYSA-N,3,1,0.415,7,330,445.874,3.283,5,0.401,0.66,1.0,0.5604653553560414,0.46349633335617846,0.21232266465629498,0.2102152011513947,0.3616248886299774
EOS-3-17818,OCc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)c1,YBZUOIOLXDXDSB-UHFFFAOYSA-N,3,1,0.575,84,884,442.454,3.501,5,0.412,0.7,1.0,0.7097525872112946,0.6255311493386334,0.8014700842985402,0.7585754917414845,0.7238323281474882
EOS-3-17819,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1F,KFSYRWQSXDPVIB-UHFFFAOYSA-N,3,1,0.705,91,876,432.434,4.092,5,0.404,0.71,1.0,0.9224693304091564,0.8753512439174834,0.8014786512233568,0.7829226920704544,0.8455554794051128
EOS-3-17820,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)n2)nn1,PIYBAWMNRMZMOR-UHFFFAOYSA-N,3,1,0.35,30,74,448.465,4.455,6,0.396,0.75,1.0,0.13448358577205127,0.247601261051333,0.5857206497155781,0.6481478308546365,0.4039883318483997
EOS-3-17821,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cc(F)c(Cl)c(F)c5)n34)nc2)n1,XBSXUCDXIHEPEZ-UHFFFAOYSA-N,3,1,0.333,22,649,425.79,2.975,5,0.41,0.67,1.0,0.29319443492563907,0.48095572613254745,0.5794239599753273,0.6771040367349737,0.5076695394421218
EOS-3-17822,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)c2)c1,JXTGHPJYMHZLEZ-UHFFFAOYSA-N,3,1,0.424,7,535,450.384,3.694,5,0.386,0.7,1.0,0.5217342882598862,0.5726046878212597,0.7775854979096704,0.7164433554931122,0.6470919573709821
EOS-3-17823,c1cc(-c2cncnc2)nc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,UDMCTFKAZZBLNR-UHFFFAOYSA-N,3,1,0.306,94,790,430.435,3.162,6,0.415,0.64,1.0,0.09739736824069632,0.11310910835446508,0.29510485915975604,0.29581591391953943,0.20035681241861422
EOS-3-17824,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nncn5C)ccc4Cl)n23)cc1,PGOHIQYMHVZRKJ-UHFFFAOYSA-N,3,1,0.4,67,642,468.912,3.703,6,0.388,0.73,1.0,0.1981615379343431,0.4144849564800219,0.36168699883489824,0.42900589404427386,0.3508348468233843
EOS-3-17825,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(C#N)nc1,VFYINQRJAGPOHU-UHFFFAOYSA-N,3,1,0.472,95,493,423.44,2.475,5,0.408,0.71,1.0,0.37810979370845044,0.20694263587142758,0.317284627510109,0.2689928723185525,0.2928324823521349
EOS-3-17826,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1,KDPLDKIEPSWSNY-UHFFFAOYSA-N,3,1,0.343,9,98,436.504,4.377,6,0.408,0.74,1.0,0.06143341786032486,0.08791378246864505,0.4167294907819889,0.4194452059488726,0.24638047426495785
EOS-3-17827,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cc4)n23)cc1,XLQXWWMZDRLCNP-UHFFFAOYSA-N,3,1,0.343,9,98,436.504,4.377,6,0.408,0.74,1.0,0.061441984785141526,0.08792234939346172,0.41673805770680555,0.41945377287368923,0.2463890411897745
EOS-3-17828,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)ncc1Cl,DZZNUYFOEPXMCU-UHFFFAOYSA-N,3,1,0.593,1,22,432.846,4.62,5,0.403,0.78,1.0,0.8245922143787267,0.8698512781851826,0.8514580906037968,0.8596994722774313,0.8514002638612844
EOS-3-17829,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cscn5)cn4)n23)cn1,QYNDIKRMBGZBAN-UHFFFAOYSA-N,3,1,0.472,7,85,431.441,1.778,5,0.425,0.65,1.0,0.3804057295593174,0.2370639435268316,0.05304639846480707,0.028399355767253786,0.17472885682955247
EOS-3-17830,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4F)n23)c(F)c1,BOTYNAKLNKPXBK-UHFFFAOYSA-N,3,1,0.494,90,555,432.337,2.681,4,0.385,0.7,1.0,0.7951905284079227,0.644806730176136,0.8858971283668015,0.8054879720375574,0.7828455897471044
EOS-3-17831,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)nn1,AHCVEYDEYWMZAG-UHFFFAOYSA-N,3,1,0.462,87,838,436.888,3.375,5,0.399,0.73,1.0,0.5164570625728189,0.6068638201631142,0.16525597971352204,0.21885066136659584,0.37685688095401276
EOS-3-17832,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(C)c5)nc(C)n4)n23)nc1,VDSOSRHONFDFIG-UHFFFAOYSA-N,3,1,0.386,33,53,467.493,2.594,5,0.4,0.66,0.996,0.3387704749503118,0.09708895894729627,0.12317524501404975,0.042431978616955655,0.15036666438215338
EOS-3-17833,Cc1ccc(-c2nnc3cncc(OCc4cc(OC(F)(F)F)cc(F)c4F)n23)cn1,XGZQJYJWRXDKMO-UHFFFAOYSA-N,3,1,0.5,90,255,437.328,4.251,4,0.435,0.71,1.0,0.9768864368446303,0.9715492426838462,0.9941659241998492,0.9827290795695977,0.9813326708244808
EOS-3-17834,COCc1cc(-c2cccc(-c3nnc4cncc(Oc5cncc(F)c5)n34)c2)nc(C)n1,NFVCBZJGUGDPFK-UHFFFAOYSA-N,3,1,0.4,13,374,443.442,4.03,5,0.388,0.73,1.0,0.7036358028921939,0.602023507641697,0.5364179973956549,0.444734768007676,0.5717030189843054
EOS-3-17835,Clc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)nc1,INVMWSYRVDQYOW-UHFFFAOYSA-N,3,1,0.506,73,420,452.265,3.319,5,0.396,0.65,1.0,0.5397248303748886,0.5881793571379618,0.2951134260845727,0.3914227948735522,0.45361010211774383
EOS-3-17836,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)nc(C)n2)cn1,JNHOMLGJPJYNEU-UHFFFAOYSA-N,3,1,0.451,7,500,445.874,3.283,5,0.375,0.7,1.0,0.5859776574600781,0.46767699266671237,0.24069631964909877,0.19302994996915906,0.37184522993626207
EOS-3-17837,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)c(F)c1,XXSPZKQHLNDBJJ-UHFFFAOYSA-N,3,1,0.381,62,582,467.508,4.583,5,0.415,0.8,1.0,0.2528956205880337,0.2572647522445343,0.6436930299499691,0.44474333493249263,0.3996491844287575
EOS-3-17838,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cc6F)cn5)n34)nc2)n1,PBEHOLRSDSJYCQ-UHFFFAOYSA-N,3,1,0.313,39,72,469.419,2.779,6,0.383,0.69,1.0,0.1813874991433075,0.2730364608320197,0.30241244602837364,0.38816736344321845,0.2862509423617299
EOS-3-17839,c1cnc(-c2ccc(Oc3cncc4nnc(-c5cnc(-c6nccs6)nc5)n34)nn2)nc1,OGHBSSCTOJZSJL-UHFFFAOYSA-N,3,1,0.33,80,34,453.451,2.744,6,0.38,0.73,1.0,0.3916626687684189,0.3430796381330957,0.030532520046604072,0.02553800287848674,0.19770320745665138
EOS-3-17840,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cn1,HAKCEGVKWXQNLX-UHFFFAOYSA-N,3,1,0.457,18,720,444.886,3.622,5,0.391,0.66,0.999,0.583039202247961,0.5881879240627784,0.3280275512302104,0.3270166541018436,0.45656783291069836
EOS-3-17841,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4)n23)cn1,GBSSKRZAJGDQCW-UHFFFAOYSA-N,3,1,0.27,70,968,420.44,3.039,6,0.466,0.69,0.846,0.0687410047289425,0.07430093893495991,0.2548917140703173,0.22766602700294702,0.1563999211842917
EOS-3-17842,Cc1nc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCCc3ccc(F)nn3)n12,QYLPCDWSTAVOPT-UHFFFAOYSA-N,3,1,0.442,53,602,431.435,2.446,5,0.403,0.67,1.0,0.4409738880131588,0.4411537934343088,0.15897642382290453,0.12483722842848331,0.2914853334247139
EOS-3-17843,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(C)n6)c5)n34)cn2)n1,KDOXCSHLYDYQNC-UHFFFAOYSA-N,3,1,0.307,32,664,445.49,4.113,6,0.402,0.71,0.89,0.0030755260091837435,0.044385237475155916,0.3096086628743746,0.2571105475978343,0.15354499348913714
EOS-3-17844,Cc1nn(C)cc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,HXBLPTSUXAZBLI-UHFFFAOYSA-N,3,1,0.506,73,446,450.865,3.662,5,0.403,0.7,1.0,0.4689448975395792,0.7036957713659104,0.4243454869440066,0.4447519018573093,0.5104345144267014
EOS-3-17845,CC(F)(F)c1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,GAFQWGCXEJUEFA-UHFFFAOYSA-N,3,1,0.712,68,305,434.353,3.873,4,0.408,0.68,1.0,0.7696182578301692,0.8488537454595299,0.9669830717565623,0.8975224453430196,0.8707443800973202
EOS-3-17846,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4cc(F)cc(C#N)c4)n23)c1,KQVULCDEQOPMMP-UHFFFAOYSA-N,3,1,0.5,2,184,426.415,3.177,5,0.425,0.68,1.0,0.6705246384757727,0.5496281954629566,0.7296963881844973,0.6771126036597903,0.6567404564457542
EOS-3-17847,Fc1ccnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,BUMJSIPPJLIRRH-UHFFFAOYSA-N,3,1,0.542,4,534,434.822,3.41,5,0.387,0.68,1.0,0.8220735384826263,0.9469193338359263,0.5228651223356864,0.6038139949283805,0.7239179973956549
EOS-3-17849,Cc1cccc(-c2ncncc2-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)n1,QXZUOXGYDKYVSJ-UHFFFAOYSA-N,3,1,0.423,55,564,448.849,3.718,5,0.4,0.7,0.994,0.7432406963196491,0.6643907203070386,0.5664536358028922,0.5732386402576931,0.6368309231718182
EOS-3-17850,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)nn4)n23)cn1,YHBJQQHCAQQBLA-UHFFFAOYSA-N,3,1,0.314,10,37,454.885,3.488,6,0.401,0.69,0.828,0.022976492358303062,0.15953327393598793,0.2988314714550065,0.39143136179836885,0.21819314988691657
EOS-3-17851,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4scnc4-c4ccccc4)n23)cc1,RODAFCNLAKISMO-UHFFFAOYSA-N,3,1,0.388,9,553,436.504,4.377,6,0.408,0.76,1.0,0.07655404016174354,0.08468405181276129,0.24772119799876635,0.2988914399287232,0.1769626824754986
EOS-3-17852,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ncccn6)n5)n34)cc2)n1C,AHNDCFLYIWCCGP-UHFFFAOYSA-N,3,1,0.298,8,618,435.455,2.538,6,0.415,0.62,1.0,0.025049688163936674,0.05542800356384072,0.05673017613597423,0.04629566170927284,0.045875882393256115
EOS-3-17853,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)cc2)n1C,ZNEOTFFMSYPVEU-UHFFFAOYSA-N,3,1,0.312,8,927,436.443,1.933,6,0.407,0.62,1.0,0.02408162565965321,0.031192173257487493,0.03169762182167089,0.029273182098553903,0.02906115070934137
EOS-3-17854,N#Cc1cncc(-c2nc(COc3cncc4nnc(-c5ccccc5F)n34)ccc2F)n1,HUMGGTMTHZNQRF-UHFFFAOYSA-N,3,1,0.489,4,877,442.389,3.372,5,0.407,0.66,1.0,0.6733517236652731,0.7883626893290384,0.67459392776369,0.6886522513878418,0.7062401480364608
EOS-3-17855,c1cncc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)c1,RAZLZUBVIOARBY-UHFFFAOYSA-N,3,1,0.26,94,165,431.423,2.557,6,0.41,0.66,0.966,0.11818929477074909,0.0812487149612775,0.20528065245699403,0.2335772051264478,0.1595739668288671
EOS-3-17856,c1cnnc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)c1,NMRIJJJJVCXVPX-UHFFFAOYSA-N,3,1,0.245,94,165,431.423,2.557,6,0.41,0.66,0.63,0.06874957165375917,0.07430950585977658,0.14980981426906997,0.17091015009252278,0.11594476046878213
EOS-3-17857,Cc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ncc1F,BMPMFSZAQNVCGE-UHFFFAOYSA-N,3,1,0.327,63,306,407.384,2.727,5,0.559,0.87,1.0,0.21198855458844493,0.22204612432321294,0.1781749023370571,0.27484408196833665,0.2217634158042629
EOS-3-17858,Cc1ccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5cncn5C)c4)n23)nn1,UZNKRSLRRTUBSF-UHFFFAOYSA-N,3,1,0.494,26,482,430.447,3.051,5,0.408,0.67,1.0,0.4617486806935782,0.4325440339935577,0.3504900280995134,0.30538516893975737,0.38754197793160167
EOS-3-17859,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5nncn5C)cc4F)n23)n1,MBTGWLJSCVBBJA-UHFFFAOYSA-N,3,1,0.44,36,404,417.408,2.403,5,0.429,0.75,1.0,0.580023644712494,0.5538431224727571,0.17818346926187376,0.15227708861627032,0.3660818312658488
EOS-3-17860,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)nn1,ZNIBZUIRCFPMSS-UHFFFAOYSA-N,3,1,0.359,94,167,465.868,3.211,6,0.382,0.7,1.0,0.24216126379274897,0.3283530943732438,0.28431910081557127,0.33335617846617777,0.29704740936193547
EOS-3-17861,c1ccc(-c2cncnc2-c2nnc3cncc(OCc4cnc(-n5cccn5)nc4)n23)cc1,GPUNSPFBLVVCKK-UHFFFAOYSA-N,3,1,0.371,6,355,448.45,2.803,6,0.378,0.71,1.0,0.2932030018504558,0.10687238708793091,0.1344750188472346,0.14228805428003563,0.16920961551641422
EOS-3-17862,Cn1nc(C(F)F)nc1-c1cncc2nnc(-c3ccc(-c4cncc(F)c4)nc3)n12,NIHZWPBFIUVMKG-UHFFFAOYSA-N,3,1,0.333,50,243,423.362,3.121,5,0.438,0.68,0.473,0.1952573504214927,0.3329106983757111,0.3691402234253992,0.40660338564868753,0.32597791446782265
EOS-3-17863,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,HIVQSQQMJCSWIZ-UHFFFAOYSA-N,3,1,0.325,30,158,451.881,4.149,6,0.397,0.74,1.0,0.047837708176273044,0.23207799328353093,0.2880799808100884,0.4851278185182647,0.26328087519703924
EOS-3-17865,CCOc1ncc(-c2nnc3cncc(-c4cccc(-c5cnn(C)n5)c4)n23)cc1CC,DJQQHFJXARQWRL-UHFFFAOYSA-N,3,1,0.309,82,336,426.484,3.61,5,0.409,0.72,1.0,0.22569563429511344,0.08793091631827839,0.18789836200397506,0.11561921732574874,0.1542860324857789
EOS-3-17866,Cc1nc(-c2ncc(F)cn2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C,FIUUXMWBFYZXND-UHFFFAOYSA-N,3,1,0.561,73,82,450.865,3.662,5,0.403,0.71,1.0,0.7492975121650333,0.8165564389006922,0.2015883078610102,0.3053937358645741,0.5182089986978274
EOS-3-17867,COCn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)nc2)n1,BUGFQBRCKCVWHF-UHFFFAOYSA-N,3,1,0.296,50,918,443.431,0.913,5,0.399,0.65,0.98,0.11819786169556576,0.08793948324309506,0.011359742306901515,0.004394832430950586,0.05547297991912823
EOS-3-17868,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)nn1,VPEBGGDTCMQLKC-UHFFFAOYSA-N,3,1,0.252,10,871,421.428,2.229,6,0.425,0.69,0.2,0.0008224247824001096,0.005037351792200672,0.06869817010485917,0.08282502912754437,0.03934574395175108
EOS-3-17869,OCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)c2)o1,DXENECPCTQJXCF-UHFFFAOYSA-N,3,1,0.593,72,386,433.403,2.489,5,0.412,0.7,1.0,0.7639812213008018,0.654992803783154,0.32085703515865943,0.29890000685353985,0.5096827667740388
EOS-3-17870,Cc1ccc(-c2nnc3cncc(CCc4cccc(-c5cnn(C)c5)n4)n23)c(Cl)c1,YDXVRXDMDXGFCR-UHFFFAOYSA-N,3,1,0.366,14,886,429.915,4.334,5,0.415,0.78,1.0,0.1753478171475567,0.3138407237338085,0.4675656226440957,0.5041121239120006,0.36521657185936535
EOS-3-17871,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)n[nH]1,KNQIXYAWJOIMAP-UHFFFAOYSA-N,3,1,0.534,37,619,450.865,3.694,5,0.42,0.71,1.0,0.9050870399561374,0.8861198684120348,0.5125933794805017,0.5539116578712905,0.7144279864299911
EOS-3-17872,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)cc1,HBEBCWUURKXXAF-UHFFFAOYSA-N,3,1,0.453,44,130,431.406,3.543,5,0.406,0.68,0.993,0.7493060790898499,0.6839918442875745,0.6437015968747858,0.6800253580974573,0.6892562195874168
EOS-3-17873,c1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnccn6)nn5)n34)nc2)ccn1,CVBTTWGXDFKIPL-UHFFFAOYSA-N,3,1,0.294,86,957,419.412,2.286,6,0.423,0.75,0.983,0.000179905421150024,0.0046604071002672885,0.14981838119388663,0.18728154341717498,0.08548505928311972
EOS-3-17874,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)cc1=O,OMCQNZNIZRQVAQ-UHFFFAOYSA-N,3,1,0.455,51,196,464.848,2.714,5,0.39,0.66,1.0,0.72521588650538,0.5726132547460764,0.4392176684257419,0.46054931121924475,0.5493990302241107
EOS-3-17875,Cc1ncc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)cn1,FCYSTRZPRBZOHH-UHFFFAOYSA-N,3,1,0.278,86,780,433.439,2.594,6,0.412,0.64,1.0,0.001704818038516894,0.011222671509834829,0.14068603933931875,0.12682475498595025,0.07010957096840517
EOS-3-17876,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)[nH]4)n23)cc1,LRFMCMGJGPXNFG-UHFFFAOYSA-N,3,1,0.366,67,642,454.885,3.692,6,0.431,0.67,1.0,0.17267493660475636,0.3087348365430745,0.3245151120553766,0.45109999314646015,0.3142562195874169
EOS-3-17877,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)cc1,MPEXNVHAWYXQEQ-UHFFFAOYSA-N,3,1,0.478,0,646,409.852,3.924,4,0.542,0.82,1.0,0.4202247961071894,0.47656946062641353,0.7635871427592351,0.7379206360084984,0.5995755088753341
EOS-3-17878,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nn5)ncc4F)n23)cn1,GUVWGNLOFIDOJD-UHFFFAOYSA-N,3,1,0.413,55,283,475.419,2.255,5,0.393,0.73,1.0,0.657854156671921,0.4457199643615928,0.3391045850181619,0.25418922623535056,0.4242169830717566
EOS-3-17879,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)nc1,QBXLIVCUIJQJIC-UHFFFAOYSA-N,3,1,0.595,73,665,451.824,4.154,5,0.396,0.73,1.0,0.8972997052977864,0.812667055033925,0.8301093139606607,0.8495048317455967,0.8473952265094922
EOS-3-17880,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ccc2F)cn1,ZAMJMJVCLBCUKW-UHFFFAOYSA-N,3,1,0.471,51,969,448.849,3.718,5,0.375,0.76,1.0,0.8810225481461175,0.9032794188198204,0.5664622027277089,0.5668905489685423,0.7294136796655473
EOS-3-17881,COCc1nccc(COc2cncc3nnc(-c4ccnc(-c5cccc(C)n5)c4)n23)n1,FWVXGYIGFMRRLZ-UHFFFAOYSA-N,3,1,0.467,24,43,440.467,3.072,5,0.377,0.7,1.0,0.35045576040024673,0.1479422246590364,0.1652645466383387,0.09795421835377972,0.19040418751285038
EOS-3-17882,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccccc5Cl)nc(C)n4C)n23)cc1,MLAZAJIDMXWYMV-UHFFFAOYSA-N,3,1,0.374,62,124,457.925,4.18,5,0.437,0.7,1.0,0.18691316565005825,0.28319683366458775,0.33543794119662806,0.33666301144541155,0.2855527379891714
EOS-3-17883,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cncnc5-c5ccccc5)n34)cn2)cn1,UOKIGNOPAURWKM-UHFFFAOYSA-N,3,1,0.325,30,515,446.449,4.511,6,0.368,0.81,0.979,0.3315656911794942,0.39071174011376875,0.6609468165307382,0.6915821396751423,0.5187015968747859
EOS-3-17884,Cc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)c1F,XUJWLNLBLDHEHH-UHFFFAOYSA-N,3,1,0.545,75,496,427.443,3.712,5,0.408,0.72,1.0,0.7783650880679871,0.7409447604687821,0.5664707696525255,0.49407168802686585,0.6449630765540402
EOS-3-17885,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(C(F)(F)F)cn5)n34)nc2)nn1,BLXDUHVSXPAOBA-UHFFFAOYSA-N,3,1,0.394,51,924,454.376,2.37,5,0.394,0.64,0.991,0.3166421081488589,0.36699849222123226,0.6550270714824207,0.4879977383318484,0.45666635254609006
EOS-3-17887,c1ccc(-n2cnc(-c3cncc4nnc(-c5cnc(-c6cnccn6)nc5)n34)n2)cc1,WAILFCQQQWNVGN-UHFFFAOYSA-N,3,1,0.289,86,871,419.412,2.286,6,0.423,0.71,0.895,0.009252278802001234,0.00727331916935097,0.06064526077719142,0.08460694948941128,0.040444452059488725
EOS-3-17888,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cc2)n1,XSWLEGDYIBJIAJ-UHFFFAOYSA-N,3,1,0.342,9,508,450.441,3.245,6,0.402,0.65,1.0,0.24464567198958262,0.22739188540881367,0.31334384209444177,0.3366715783702282,0.28051324446576653
EOS-3-17889,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)c2)cn1,RFBBZUOHMVCYSM-UHFFFAOYSA-N,3,1,0.307,39,972,450.441,3.245,6,0.402,0.65,0.999,0.095058597765746,0.14795079158385305,0.3543622781166472,0.41314851620862175,0.252630045918717
EOS-3-17890,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)nc5)n34)cc2)n1,WEUGLWSVLNILRJ-UHFFFAOYSA-N,3,1,0.312,38,727,450.441,3.245,6,0.402,0.65,1.0,0.2201185662394627,0.27801384415050373,0.3280361181550271,0.3657648550476321,0.29798334589815645
EOS-3-17891,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cn2)nn1,NESUUUFNNYDVAX-UHFFFAOYSA-N,3,1,0.297,10,664,452.869,3.544,6,0.399,0.67,0.685,0.013013158796518402,0.14414707696525256,0.32086560208347614,0.38481769583990133,0.2157108834212871
EOS-3-17892,Clc1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)nn2)cc1,WNKXMKSYZLMFGH-UHFFFAOYSA-N,3,1,0.306,10,37,452.869,3.544,6,0.399,0.67,0.87,0.011359742306901515,0.13666815160030155,0.2988400383798232,0.44162497429922554,0.22212322664656295
EOS-3-17893,Fc1ccc(-c2cnnc(-c3nnc4cncc(Oc5ncc(Cl)cc5F)n34)c2)cn1,XTWNDUYGBCUUKT-UHFFFAOYSA-N,3,1,0.315,13,511,438.785,3.762,5,0.391,0.71,1.0,0.6612980604482215,0.6988725926941265,0.7271862792132137,0.7687958330477692,0.7140381913508327
EOS-3-17894,Fc1ccc(-c2cnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)nc1,QDWGPPQAIBXPLC-UHFFFAOYSA-N,3,1,0.402,58,602,449.837,2.847,5,0.385,0.64,0.997,0.6371478993900349,0.6550013707079707,0.24070488657391542,0.32702522102666026,0.4649698444246453
EOS-3-17895,CCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ncn2)nc1,IQDYCQVQVLMPRV-UHFFFAOYSA-N,3,1,0.385,46,395,428.431,3.319,5,0.406,0.72,0.343,0.6488417517647865,0.5038122815434172,0.4604208073469947,0.38174216983071757,0.498704252621479
EOS-3-17897,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cn1,ZHJSPSXUVMTUPJ-UHFFFAOYSA-N,3,1,0.307,30,195,434.438,4.24,6,0.386,0.75,0.967,0.014486669864985265,0.16341409087793846,0.6716126379274896,0.6886608183126585,0.3845435542457679
EOS-3-17898,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ncccn5)cn4)n23)cc1,HZSJVODCRYBZRI-UHFFFAOYSA-N,3,1,0.442,56,197,463.465,2.413,6,0.362,0.67,1.0,0.5065022959358508,0.2832054005894044,0.08668871221986156,0.06990610650400932,0.2365756288122815
EOS-3-17900,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnccc5C)ncn4)n23)nc1,WQZFUAKPYWJECW-UHFFFAOYSA-N,3,1,0.369,33,53,454.454,1.68,5,0.402,0.63,0.053,0.31137344938660816,0.1263878418203002,0.06265848810910836,0.02369611404290316,0.13102897333972996
EOS-3-17901,CCn1cncc1-c1nc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)ccc1F,OPJLBZMWHRPZGX-UHFFFAOYSA-N,3,1,0.362,33,53,459.445,2.282,5,0.391,0.67,0.987,0.3939243369200192,0.24250394078541568,0.1498269481187033,0.09595812487149613,0.22055333767390858
EOS-3-17902,Cn1ccc(-c2cnc(Cc3cncc4nnc(-c5ccc(F)cc5)n34)c(Cl)c2)n1,VXIABDRQENDGBO-UHFFFAOYSA-N,3,1,0.413,14,81,419.851,3.97,5,0.44,0.75,1.0,0.30098176958399014,0.44572853128640944,0.6798882873003906,0.7533839353025837,0.5449956308683435
EOS-3-17903,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cc(F)ccc5F)cn4)n23)cn1,RKXAGTXTJUXLFK-UHFFFAOYSA-N,3,1,0.494,4,71,431.406,3.809,5,0.418,0.7,1.0,0.7097611541361113,0.77555513672812,0.729704955109314,0.6971506408059763,0.7280429716948805
EOS-3-17904,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(OCCc5ccccc5)n4)n23)cc1,KDQVDDFJXUEWKE-UHFFFAOYSA-N,3,1,0.412,62,302,477.528,3.762,6,0.363,0.89,1.0,0.24761839490096635,0.07065142896305943,0.15276540333082037,0.16045850181618806,0.15787343225275854
EOS-3-17905,CCc1cc(OC(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3)n12,POFDUFBJCHMSBB-UHFFFAOYSA-N,3,1,0.434,61,917,448.437,3.813,5,0.39,0.75,1.0,0.3826416969364677,0.45005482831882665,0.6407631416626688,0.5978342814063464,0.5178234870810774
EOS-3-17906,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cnn(-c6cnnc(F)c6)c5)n34)cc2)CC1,QBKBLCSPMLXMCI-UHFFFAOYSA-N,3,1,0.333,74,246,455.457,2.855,6,0.433,0.65,1.0,0.05781817558769104,0.11931156192173258,0.13767904872866835,0.20116852854499348,0.12899432869577135
EOS-3-17907,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)nn1,PXCRMKZDMVITHR-UHFFFAOYSA-N,3,1,0.571,24,241,430.859,3.579,5,0.416,0.67,1.0,0.42023336303200604,0.5355184702899047,0.3954321156877527,0.4033308203687204,0.438628692344596
EOS-3-17908,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cc1F,YYLZLYYRIKNNEU-UHFFFAOYSA-N,3,1,0.457,73,82,448.393,2.388,5,0.417,0.66,1.0,0.7753495305325201,0.7037043382907272,0.5262147899390035,0.5004968816393668,0.6264413851004045
EOS-3-17909,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncnn6)nn5)n34)cc2)ccn1,DBVRDTLMQRQSTI-UHFFFAOYSA-N,3,1,0.35,98,620,437.402,2.425,6,0.382,0.67,1.0,0.006348091289150847,0.13667671852511823,0.32804468507984375,0.40333938729353713,0.21860222054691247
EOS-3-17910,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnnc5)cn4)n23)cc1,JJXSRRXLDJEQPX-UHFFFAOYSA-N,3,1,0.592,51,969,416.832,3.271,5,0.43,0.74,1.0,0.8009218011102734,0.939217668425742,0.4914930436570489,0.5407614282777055,0.6930984853676925
EOS-3-17911,Cc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cn5)n34)nc2)n1,WBFYMRBOCNFYQK-UHFFFAOYSA-N,3,1,0.313,42,106,461.464,4.215,6,0.384,0.76,1.0,0.287625933794805,0.35261462545404704,0.46757418956891234,0.5005054485641834,0.4020800493454869
EOS-3-17912,FCc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)ccn1,ALWVBAGACOHJGO-UHFFFAOYSA-N,3,1,0.516,11,159,444.445,4.478,5,0.368,0.79,1.0,0.5800322116373107,0.5399818381193887,0.777594064834487,0.7585840586663012,0.664048043314372
EOS-3-17913,Fc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)n1,CMGFGTUOSTWZTR-UHFFFAOYSA-N,3,1,0.31,3,289,440.467,4.302,6,0.406,0.72,1.0,0.04060722363100541,0.23208656020834761,0.40633781097937083,0.4819666232609143,0.2902495545199095
EOS-3-17914,COCc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cn1,IFDJKFKUYXFVOX-UHFFFAOYSA-N,3,1,0.467,7,535,445.418,2.298,5,0.368,0.66,1.0,0.5859862243848948,0.5831762730450277,0.18472859982180798,0.14470392707833596,0.37464875608251663
EOS-3-17915,c1cncc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)c1,MNLZSQNTGJHTFP-UHFFFAOYSA-N,3,1,0.235,86,953,420.4,1.681,6,0.414,0.71,0.998,0.00852409019258447,0.010306010554451375,0.020183674868069358,0.03429340004112124,0.01832679391405661
EOS-3-17916,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n2)cn1,ZLPJFYDLCVQNPG-UHFFFAOYSA-N,3,1,0.379,46,128,434.822,3.41,5,0.387,0.66,1.0,0.6766842574189569,0.8165650058255088,0.4741450209032966,0.5272171201425536,0.623652851072579
EOS-3-17917,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1,KGRBTLCIVASCAQ-UHFFFAOYSA-N,3,1,0.329,3,118,453.416,3.774,6,0.401,0.67,0.935,0.05434000411212391,0.2476098279761497,0.5664793365773422,0.680033925022274,0.38711577342197245
EOS-3-17918,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)c(C(F)F)n1,SFQZKXROYQZPSB-UHFFFAOYSA-N,3,1,0.308,66,455,476.369,3.492,5,0.439,0.7,0.984,0.19817010485915976,0.2939226235350559,0.6746024946885066,0.6070437255842642,0.44343473716674664
EOS-3-17919,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccn1,LWSOZVZOJCZKCL-UHFFFAOYSA-N,3,1,0.512,4,799,433.834,4.015,5,0.413,0.69,1.0,0.7158179699814955,0.7316325131930642,0.6798968542252073,0.7404650126790487,0.716953087519704
EOS-3-17920,Fc1ccccc1-c1nnc2cncc(OCc3ccnc(-c4ccc(Cl)nn4)c3)n12,MVUDQYDWSOTMAK-UHFFFAOYSA-N,3,1,0.506,43,389,433.834,4.015,5,0.413,0.69,1.0,0.8319512027962442,0.8641885408813652,0.6933726269618258,0.7379292029333151,0.7818603933931876
EOS-3-17921,c1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)ccn2)nc1,GYBHKQPJTMTERB-UHFFFAOYSA-N,3,1,0.301,32,557,419.408,3.36,6,0.423,0.76,1.0,0.18992015626070866,0.11932012884654924,0.24772976492358303,0.2630731272702351,0.20501079432526897
EOS-3-17922,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)cn2)cnn1,WNVVKDAZWFEPEB-UHFFFAOYSA-N,3,1,0.291,99,899,447.466,2.809,6,0.401,0.64,0.998,0.059600095949557945,0.04805188129668974,0.14646871359056954,0.13779041875128503,0.09797777739702557
EOS-3-17923,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5nnnn5C)c4)n23)nc1,YJFHWHKPBQWAIE-UHFFFAOYSA-N,3,1,0.282,98,112,447.466,2.809,6,0.401,0.64,0.984,0.033556644506887806,0.019232746213419232,0.10619560002741416,0.15228565554108697,0.07781766157220205
EOS-3-17924,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)cc6)n5)n34)cn2)ccn1,XKEOTWWPHIEVQA-UHFFFAOYSA-N,3,1,0.321,10,952,450.441,3.339,6,0.402,0.66,1.0,0.0347560139812213,0.18021383044342404,0.29158385306010554,0.34620656569117947,0.21319006579398259
EOS-3-17925,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)cn4)n23)nc1,MNXFLHVPPMQUTR-UHFFFAOYSA-N,3,1,0.5,51,181,432.394,3.555,5,0.401,0.69,1.0,0.5800407785621273,0.5399904050442054,0.6108731409773148,0.5473836611609897,0.5695719964361594
EOS-3-17926,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5ccnnc5)n4)n23)c1,FSIPBUJPTJDZCY-UHFFFAOYSA-N,3,1,0.293,99,356,438.39,1.82,6,0.4,0.61,1.0,0.0011137002261668151,0.07065999588787608,0.09146048934274553,0.17925433486395723,0.0856221300801864
EOS-3-17927,Cn1cc(-c2cccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)n2)nn1,SSZYOPHGEXKFBU-UHFFFAOYSA-N,3,1,0.26,70,165,433.439,2.501,6,0.412,0.65,0.999,0.005911178123500788,0.009320814200534577,0.1464772805153862,0.15776848742375438,0.07986944006579398
EOS-3-17928,N#Cc1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(Cl)c5)n4)n23)cc1,FPJZRLAGIJSXFU-UHFFFAOYSA-N,3,1,0.436,22,681,416.807,3.703,5,0.444,0.78,0.997,0.11252655746693167,0.405044205332054,0.8301178808854773,0.890574669316702,0.5595658282502912
EOS-3-17929,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5cncnn5)cn4)n23)cc1,AGRNMGDLTVBXRM-UHFFFAOYSA-N,3,1,0.333,39,972,449.413,2.696,6,0.395,0.64,1.0,0.2529041875128504,0.2730450277568364,0.21556096223699542,0.30840929340004114,0.2624798677266808
EOS-3-17930,CN(C)C(=O)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4F)n23)cc1,BKFDDBWJNBYNBH-UHFFFAOYSA-N,3,1,0.483,0,646,409.852,3.876,4,0.513,0.87,1.0,0.35741210335138096,0.4545867315468439,0.7088187924062779,0.6538876704818039,0.5436763244465767
EOS-3-17932,N#Cc1nc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4Cl)n23)ccc1Cl,OLSLQKMJCPMOLX-UHFFFAOYSA-N,3,1,0.354,66,455,432.221,4.288,4,0.447,0.64,1.0,0.4202419299568227,0.5831848399698444,0.9084795421835378,0.9235059283119731,0.7088530601055445
EOS-3-17933,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5c(F)cncc5F)n34)c2)nc1,VGPJBAPEEGVEKC-UHFFFAOYSA-N,3,1,0.525,2,491,450.384,3.077,5,0.389,0.68,1.0,0.8597937084504146,0.8350952642039613,0.6407717085874854,0.6395637721883353,0.7438061133575492
EOS-3-17934,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cc1,JFIAOCIUILFHFG-UHFFFAOYSA-N,3,1,0.317,98,882,422.416,1.624,6,0.416,0.66,1.0,0.0034353368514837912,0.013321568089918443,0.09594099102186279,0.09796278527859639,0.05266517031046536
EOS-3-17936,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C)cc5F)cc4F)n23)cc1,WISRDCYQKOVCEA-UHFFFAOYSA-N,3,1,0.381,62,3,455.468,5.072,5,0.411,0.83,1.0,0.38265026386128437,0.3670070591460489,0.9236429991090398,0.8892981975190186,0.640649629908848
EOS-3-17937,Fc1ccc(-c2ncnnc2-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1,OWZKTQOZABGBHE-UHFFFAOYSA-N,3,1,0.477,46,772,434.822,3.41,5,0.414,0.66,1.0,0.694503461037626,0.6353060105544514,0.532931258995271,0.6566119525735042,0.6298381707902132
EOS-3-17938,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccn6)c5)n34)cn2)c(F)c1,LXRSCERKMDNRNV-UHFFFAOYSA-N,3,1,0.306,42,673,453.416,3.774,6,0.401,0.68,0.999,0.012113631690768283,0.23209512713316427,0.6285124391748338,0.6682287026249057,0.385237475155918
EOS-3-17939,Cc1nccc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)c1F,NAHMIAGZUGHWSX-UHFFFAOYSA-N,3,1,0.392,85,290,441.43,2.176,5,0.438,0.57,1.0,0.23675553423343157,0.2167089301624289,0.1751679117264067,0.13330991707216777,0.19048557329860874
EOS-3-17940,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)nc1,SEFDAVJCDIEFDB-UHFFFAOYSA-N,3,1,0.266,39,588,451.429,2.734,6,0.398,0.64,0.661,0.0014992118429168666,0.07770200808717703,0.09361935439654581,0.15777705434857103,0.08264940716880269
EOS-3-17941,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cn1,LCKWLMDIIRVEOD-UHFFFAOYSA-N,3,1,0.301,86,812,433.439,2.501,6,0.412,0.63,1.0,0.10502193132753067,0.05933452128024125,0.15572099239257076,0.14471249400315264,0.11619748475087383
EOS-3-17942,N#Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)ccn2)nn1,HDRBFPLBMZEEKW-UHFFFAOYSA-N,3,1,0.396,33,760,451.41,0.983,5,0.388,0.66,0.984,0.5014735110684668,0.19760468782125967,0.08669727914467823,0.058589198821191145,0.211091169213899
EOS-3-17943,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)nn5)c(F)c4)n23)cn1,LSVSPIRSDYARRV-UHFFFAOYSA-N,3,1,0.542,4,772,432.394,3.204,5,0.417,0.66,1.0,0.8750514015489,0.8203858542937427,0.5765968747858269,0.5272256870673703,0.6998149544239599
EOS-3-17944,Clc1ccccc1CCOc1cncc2nnc(-c3ccnc(-c4csnn4)c3)n12,PGBXWWMFDPICAM-UHFFFAOYSA-N,3,1,0.75,19,73,435.9,3.98,5,0.398,0.78,1.0,0.5090466726064012,0.6020320745665136,0.4461911452265095,0.5373089575765883,0.5236447124940031
EOS-3-17946,COc1ncc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ncccn1,PVPSZYMVZGBSSM-UHFFFAOYSA-N,3,1,0.544,65,393,426.44,2.668,5,0.387,0.75,1.0,0.5424062778425056,0.2832139675142211,0.17517647865122335,0.1041909396203139,0.27624691590706596
EOS-3-17947,Cc1ccc(Cl)c(-c2nnc3cncc(-c4nnn(Cc5ccc(Cl)cc5F)n4)n23)n1,RCCPIVCCEWMFMM-UHFFFAOYSA-N,3,1,0.252,22,221,456.272,3.642,5,0.407,0.69,0.366,0.19526591734630938,0.26270474950311834,0.28060962236995407,0.534353368514838,0.3182334144335549
EOS-3-17948,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncc(Cl)n5)cc4)n23)cc1,VWOPTPLAMOSHLX-UHFFFAOYSA-N,3,1,0.362,25,508,466.896,3.759,6,0.386,0.73,1.0,0.1673634432184223,0.2370725104516483,0.35437084504146393,0.44809300253580975,0.3017249503118361
EOS-3-17949,Fc1ccccc1-c1ccnc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)n1,AOHQBIKGEIDQPC-UHFFFAOYSA-N,3,1,0.321,30,737,446.449,4.511,6,0.393,0.76,0.999,0.25291275443766703,0.3190922486464259,0.49832944966074977,0.6161589335891988,0.42162334658351036
EOS-3-17950,Cn1cc(-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)c(-c2ccc(F)cn2)n1,BGBPUTCDDQIOCE-UHFFFAOYSA-N,3,1,0.342,86,780,450.441,3.245,6,0.402,0.67,1.0,0.15909636077033787,0.19761325474607636,0.29884860530463986,0.32373552189705984,0.24482343567952847
EOS-3-17951,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cn5)n34)nn2)n1,ASBVIHOTRJNOBV-UHFFFAOYSA-N,3,1,0.298,76,14,451.429,2.64,6,0.398,0.63,0.863,0.12613083407580014,0.23708107737646494,0.15277397025563705,0.19551435816599275,0.17787505996847372
EOS-3-17952,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c2)cn1,UUKTYLYCHQPICS-UHFFFAOYSA-N,3,1,0.448,46,16,432.394,3.204,5,0.417,0.64,1.0,0.6341152080049346,0.539998971969022,0.6609553834555548,0.6306199026797341,0.6164223665273114
EOS-3-17953,Cn1cc(-c2cc(-c3nnc4cncc(OCc5nccnc5Cl)n34)ccc2F)cn1,OXUAHCRVHBXUBZ-UHFFFAOYSA-N,3,1,0.477,16,394,436.838,3.353,5,0.417,0.68,0.998,0.5424148447673223,0.6448152971009526,0.5951614008635461,0.6133832499485985,0.5989436981701048
EOS-3-17954,Cc1cnc(-c2nnc3cncc(OCc4ncc(Cl)cc4OC(F)(F)F)n23)nc1,DJTXPCFNDOCVCH-UHFFFAOYSA-N,3,1,0.396,68,127,437.769,3.416,4,0.468,0.59,0.798,0.7811664724830375,0.7796843944897539,0.8384020971831951,0.7483551504351997,0.7869020286477966
EOS-3-17955,Clc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)c1,NBOWORPXRMBIAS-UHFFFAOYSA-N,3,1,0.539,19,207,429.871,3.918,5,0.404,0.69,1.0,0.6312966897402509,0.6791343979165239,0.5566530738126242,0.6481563977794531,0.628810139812213
EOS-3-17956,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cc4F)n23)cc1,JTNYSUNOKHYDSP-UHFFFAOYSA-N,3,1,0.384,62,341,455.518,5.218,6,0.395,0.9,1.0,0.23941984785141526,0.252475841272017,0.6169556575971489,0.7027619765608937,0.4529033308203687
EOS-3-17957,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)c(C)n1,YGGGILLASNLUFG-UHFFFAOYSA-N,3,1,0.415,7,535,445.874,3.283,5,0.401,0.68,1.0,0.5577410732643411,0.6212219861558494,0.21556952916181207,0.1792629017887739,0.3934488725926941
EOS-3-17958,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)cc1,BWAOBIXYIOKKEA-UHFFFAOYSA-N,3,1,0.306,98,522,449.478,3.921,6,0.398,0.72,1.0,0.07881570831334384,0.06338667671852512,0.17518504557604003,0.14723973682406963,0.11615679185799466
EOS-3-17959,Cn1cnnc1-c1ccc(-c2nnc3cncc(CNc4cc(-c5cccnn5)ncn4)n23)cn1,PQFJYIFQZWPMLE-UHFFFAOYSA-N,3,1,0.29,99,502,463.469,1.841,6,0.385,0.64,0.996,0.02409019258446988,0.001961825783016928,0.036966280583921596,0.023704680967719827,0.021680744979782056
EOS-3-17960,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncn6)nn5)n34)cc2)nc1,KWDRMEZTPMTVLL-UHFFFAOYSA-N,3,1,0.333,38,608,448.425,3.301,6,0.4,0.63,1.0,0.34595812487149613,0.34308820505791243,0.36535364265643205,0.3817507367555342,0.3590376773353437
EOS-3-17961,Cn1cncc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,GGYRQEHAXOPGGR-UHFFFAOYSA-N,3,1,0.319,30,93,430.475,4.316,6,0.414,0.73,1.0,0.10985367692413131,0.044393804399972585,0.442695839901309,0.4543211568775272,0.262816119525735
EOS-3-17962,Cc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccccn5)c4)n23)cn1,DGCHQWRPNPVHII-UHFFFAOYSA-N,3,1,0.548,4,401,429.871,4.184,5,0.413,0.75,1.0,0.7004489068603934,0.8315571242546775,0.5533633746830238,0.5603282845589748,0.6614244225892674
EOS-3-17963,COc1cc(-c2nncs2)ncc1COc1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,LVMCHJCLSPLERV-UHFFFAOYSA-N,3,1,0.427,92,283,461.467,1.786,5,0.379,0.71,0.996,0.41110958810225484,0.20234219724487698,0.06266705503392503,0.0230193269823864,0.1747845418408608
EOS-3-17964,COCc1ncc(-c2cccc(-c3nnc4cncc(COc5cccc(C)n5)n34)c2)cn1,QANREVQSAWCQLV-UHFFFAOYSA-N,3,1,0.34,14,351,439.479,3.677,5,0.379,0.7,1.0,0.3482283599479131,0.1886522513878418,0.33911315194297853,0.21885922829141252,0.2737132478925365
EOS-3-17965,FC(F)c1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,GYZBOYDSDYLUKH-UHFFFAOYSA-N,3,1,0.375,22,681,424.802,4.025,5,0.433,0.7,0.988,0.08106880954012748,0.42792646151737374,0.6933811938866424,0.7559540127475841,0.48958261942293196
EOS-3-17966,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc1,FMMABBBHERSQOA-UHFFFAOYSA-N,3,1,0.278,98,642,420.44,3.039,6,0.466,0.66,1.0,0.12911212391200055,0.10353985333424714,0.254900280995134,0.2690014392433692,0.18913842437118772
EOS-3-17967,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)ncn1,ROUBKFJNBHXMCU-UHFFFAOYSA-N,3,1,0.456,24,786,435.9,4.246,5,0.407,0.76,1.0,0.6117726680830649,0.722303132067713,0.43922623535055855,0.42270920430402303,0.5490028099513399
EOS-3-17968,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncc(F)c6)nn5)n34)cc2)n1,AYMHOSDNFIESCI-UHFFFAOYSA-N,3,1,0.296,42,620,450.441,3.339,6,0.402,0.67,1.0,0.01985813172503598,0.12639640874511684,0.39544068261256937,0.4163097114659722,0.2395012336371736
EOS-3-17969,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cn4)n23)cn1,RMYFSUWKGNHSIQ-UHFFFAOYSA-N,3,1,0.312,86,812,437.492,3.772,6,0.414,0.67,1.0,0.1291206908368172,0.10688095401274758,0.23697827427866494,0.22767459392776368,0.17516362826399834
EOS-3-17970,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)ccc1-c1ccccn1,PRCVZNOUUIKHBZ-UHFFFAOYSA-N,3,1,0.337,32,693,447.437,3.906,6,0.4,0.67,1.0,0.3341015009252279,0.38597423069015147,0.6137858954149819,0.6367281200740182,0.49264743677609485
EOS-3-17971,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cc5F)n34)cc2)nn1,VAVVKMJCDGCZFR-UHFFFAOYSA-N,3,1,0.306,9,764,437.442,3.783,6,0.45,0.67,1.0,0.1899287231855253,0.24761839490096635,0.6050219313275307,0.607052292509081,0.41240533548077585
EOS-3-17972,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)c1,BEZYKPQIBIDCNP-UHFFFAOYSA-N,3,1,0.444,18,559,448.437,3.19,5,0.394,0.69,1.0,0.42025049688163935,0.2780224110753204,0.4948084435610993,0.432227057775341,0.40632710232335
EOS-3-17973,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4cccc(Cl)c4CO)n23)cnn1,JTTQWKDCWDWBJW-UHFFFAOYSA-N,3,1,0.294,50,112,420.824,1.584,5,0.46,0.64,0.931,0.14816496470426976,0.25248440819683365,0.12027962442601604,0.2394883832499486,0.19010434514426702
EOS-3-17974,Cn1cnc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)c2)c1,OKWDRUDJKHGSAN-UHFFFAOYSA-N,3,1,0.441,96,46,414.4,3.696,5,0.482,0.79,1.0,0.2503255431430334,0.10688952093756425,0.7297135220341306,0.6191830580494826,0.4265279110410527
EOS-3-17975,Fc1ncc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)cn1,IVPRMFHOGWZWSW-UHFFFAOYSA-N,3,1,0.372,14,81,433.397,4.311,5,0.384,0.77,1.0,0.44098245493797544,0.5496367623877733,0.9197536152422726,0.8893067644438353,0.6999198992529642
EOS-3-17976,Cc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1C,JPXAVRJTYFYYKM-UHFFFAOYSA-N,3,1,0.309,38,608,445.49,4.113,6,0.402,0.72,1.0,0.007393256116784319,0.026017750668220135,0.1717325748749229,0.1955229250908094,0.1001666266876842
EOS-3-17977,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ncc(F)cn5)nn4)n23)c(F)c1,IHGUHSRFMUTHCB-UHFFFAOYSA-N,3,1,0.386,85,580,459.42,2.201,5,0.408,0.63,1.0,0.2714858474402029,0.24251250771023233,0.18473716674662463,0.20117709546981016,0.22497815434171753
EOS-3-17978,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)c2)s1,UOOGJZAYVRXPBT-UHFFFAOYSA-N,3,1,0.625,72,386,433.472,3.774,5,0.402,0.71,1.0,0.7341511890891645,0.762584812555685,0.35049859502433006,0.33983277362757863,0.5467668425741895
EOS-3-17979,N#Cc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)n2)n1,GAISFBSHVYCEAO-UHFFFAOYSA-N,3,1,0.275,99,952,445.41,1.553,6,0.387,0.64,1.0,0.029744362963470633,0.06339524364334179,0.03432766774038791,0.04905421150023987,0.04413037146186005
EOS-3-17980,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cc2F)n1,MNORUAHOOQNKMK-UHFFFAOYSA-N,3,1,0.541,73,610,454.828,3.492,5,0.401,0.69,1.0,0.6087999451716811,0.7585412240422178,0.7063600849838941,0.7164519224179289,0.6975382941539305
EOS-3-17981,Fc1cc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,JSWSDGPUUZMDSN-UHFFFAOYSA-N,3,1,0.523,35,846,431.406,3.543,5,0.38,0.71,1.0,0.7550373517922007,0.7796929614145707,0.7115173737235282,0.7138904118977452,0.7400345247070113
EOS-3-17982,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)c(Cl)c2)cn1,ZOKJJWXYERMQNQ-UHFFFAOYSA-N,3,1,0.506,36,534,418.848,3.214,5,0.432,0.76,1.0,0.4504232060859434,0.6117126996093483,0.5018418888355836,0.5005140154890001,0.5161229525049689
EOS-3-17983,Cc1cnc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,MLKUINPRCHLGRC-UHFFFAOYSA-N,3,1,0.633,97,232,446.873,4.928,5,0.381,0.83,1.0,0.9651240490713453,0.9733311630457131,0.8731752450140498,0.8725926941265163,0.9210557878144061
EOS-3-17984,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)ns4)n23)cn1,KHFQIBJUTZAWMP-UHFFFAOYSA-N,3,1,0.352,82,204,474.937,3.917,6,0.411,0.78,1.0,0.21747138647111233,0.33291926530052773,0.055008224247824,0.16820300185045575,0.19340046946747996
EOS-3-17985,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4Cl)n23)cc1,VCYAKWSIHWQBRV-UHFFFAOYSA-N,3,1,0.342,9,340,455.869,3.957,6,0.392,0.7,1.0,0.2119971215132616,0.2780309780001371,0.4535072990199438,0.49408025495168256,0.35940391337125627
EOS-3-17986,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ncc(-c5ccncc5)nn4)n23)nc1,XWQUGBVLEKGLCH-UHFFFAOYSA-N,3,1,0.325,86,902,449.413,2.696,6,0.395,0.63,1.0,0.21453293125899528,0.29393119045987254,0.1202881913508327,0.18208142005345762,0.20270843328078952
EOS-3-17987,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)[nH]4)n23)cn1,NZHPAKDWLIYCGP-UHFFFAOYSA-N,3,1,0.297,99,407,456.861,2.482,6,0.396,0.68,0.483,0.145166541018436,0.2370896443012816,0.1037111918305805,0.17091871701733946,0.1642215235419094
EOS-3-17988,COc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)c1,XAPMWQAHTULWDN-UHFFFAOYSA-N,3,1,0.538,15,353,445.458,3.356,5,0.379,0.68,1.0,0.7922349393461723,0.7316410801178809,0.48833184839969845,0.3625779590158317,0.5936964567198958
EOS-3-17989,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)c2)nn1,NXBCJPZOWOCMJV-UHFFFAOYSA-N,3,1,0.255,70,957,433.439,2.501,6,0.412,0.66,0.816,0.007401823041600987,0.0066479336577342195,0.1879069289287917,0.21022376807621138,0.10304511342608458
EOS-3-17990,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nn4)n23)cnc1F,SMOCRSRMVJROJI-UHFFFAOYSA-N,3,1,0.402,54,411,436.357,3.035,5,0.387,0.7,0.64,0.7068912343225275,0.6398122130080186,0.6437101637996024,0.6594647385374546,0.6624695874169008
EOS-3-17991,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)n1,CBUKHXMCBFKZFW-UHFFFAOYSA-N,3,1,0.523,36,258,435.398,2.893,5,0.401,0.7,1.0,0.5320745665136043,0.48096429305736416,0.494817010485916,0.4066119525735042,0.47861695565759715
EOS-3-17992,COc1cncc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cncnn4)nc3)n12,PCGLTJRAWMZBDF-UHFFFAOYSA-N,3,1,0.43,55,283,447.846,2.674,5,0.383,0.67,1.0,0.752193132753067,0.6498697827427866,0.3543794119662806,0.3115790555822082,0.5170053457610857
EOS-3-17993,c1ccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)n2)cc1,PZOZNIYRVRKBLY-UHFFFAOYSA-N,3,1,0.278,39,871,418.424,2.891,6,0.429,0.72,0.193,0.0015077787677335343,0.004668974025083956,0.060653827702008084,0.10419950654513056,0.04275752175998904
EOS-3-17994,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c(F)c1,KBOWDLHVYUNOJJ-UHFFFAOYSA-N,3,1,0.333,30,220,448.465,4.455,6,0.396,0.76,1.0,0.23676410115824822,0.3329278322253444,0.6169642245219656,0.6594733054622712,0.46153236584195734
EOS-3-17995,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2)ncc1F,CCALEGHIZRAPNF-UHFFFAOYSA-N,3,1,0.476,54,411,429.419,2.502,5,0.401,0.65,0.999,0.6886436844630252,0.5633352751696251,0.13448358577205127,0.1311424850935508,0.37940125762456306
EOS-3-17996,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nc(C)ncc5C)ncn4)n23)nn1,IKYPAPLVTWESJA-UHFFFAOYSA-N,3,1,0.34,31,53,469.469,1.384,5,0.383,0.71,0.645,0.3061818929477075,0.09092077307929546,0.014666575286135288,0.003580974573367144,0.10383755397162635
EOS-3-17997,Cc1cnc(F)c(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1,RONRGYVLXLPLSW-UHFFFAOYSA-N,3,1,0.388,46,62,448.849,3.718,5,0.4,0.67,1.0,0.7839764238229046,0.7797015283393873,0.4983380165855664,0.5073075868686177,0.642330888904119
EOS-3-17998,COc1ccc(-c2cncnc2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,OMHXVOYZQVGYBL-UHFFFAOYSA-N,3,1,0.593,97,91,444.882,4.489,5,0.381,0.77,1.0,0.9346429305736413,0.9232489205674731,0.8399355767253787,0.7852528956205881,0.8707700808717703
EOS-3-17999,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCc4nnc(C(F)F)o4)n23)cn1,OQUJCNYJOMAUPI-UHFFFAOYSA-N,3,1,0.484,68,127,452.328,2.081,4,0.399,0.66,0.999,0.4111181550270715,0.39526934411623604,0.3245236789801933,0.20716537591666095,0.33451913851004045
EOS-3-18000,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cncnn6)n5)n34)cc2)c1,NXLBCARQYKBYOM-UHFFFAOYSA-N,3,1,0.275,98,927,434.427,1.989,6,0.405,0.64,1.0,0.011368309231718183,0.019241313138235898,0.04753786580768967,0.07380405729559317,0.03798788636830923
EOS-3-18001,Cc1cc(COc2cncc3nnc(-c4ncc(-c5ccc(F)cn5)c(F)n4)n23)n(C)n1,LUOBUYGVIJHJMW-UHFFFAOYSA-N,3,1,0.371,7,662,435.398,2.542,5,0.388,0.69,1.0,0.3459666917963128,0.2832225344390378,0.19479473648139264,0.18729011034199164,0.2528185182646837
EOS-3-18002,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4cncn4C)cc3F)n12,VERXNOXPMWHBGC-UHFFFAOYSA-N,3,1,0.54,26,460,432.463,2.994,5,0.41,0.68,1.0,0.41781749023370574,0.4765780275512302,0.3280532520046604,0.26630285792611885,0.3721879069289288
EOS-3-18003,Fc1ncc(Cl)cc1-c1ncnnc1-c1nnc2cncc(-c3ncc(Cl)cn3)n12,JPJIXYVASHRPEN-UHFFFAOYSA-N,3,1,0.28,50,206,441.217,2.941,5,0.389,0.65,0.811,0.24216983071756562,0.31910081557124254,0.23361147282571448,0.4636505380028785,0.3146331642793503
EOS-3-18004,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)cc1,HQNLTAGJROKENJ-UHFFFAOYSA-N,3,1,0.301,76,193,436.504,4.377,6,0.408,0.75,1.0,0.08525803577547804,0.1035484202590638,0.2806181892947707,0.32069426358714276,0.19752972722911383
EOS-3-18005,FC(F)c1cncc(-c2nnc3cncc(OCCc4cccc(C(F)(F)F)c4)n23)c1,QVONVRNKHYVHHT-UHFFFAOYSA-N,3,1,0.588,68,240,435.356,4.764,4,0.409,0.81,1.0,0.8771674319786169,0.8419830717565623,0.9970529778630662,0.9925125077102324,0.9271789973271194
EOS-3-18006,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccccc5OC(F)F)n34)n2)nc1,XIRVTJWMBUZSIU-UHFFFAOYSA-N,3,1,0.427,96,140,435.369,4.051,5,0.411,0.72,0.999,0.5040607223631005,0.6693766705503392,0.7865122335686382,0.7784935919402372,0.6846108046055788
EOS-3-18007,Cc1nc(Cl)ncc1COc1cncc2nnc(-c3ccc(-c4ncccn4)cc3F)n12,WQGOPVITUFQALI-UHFFFAOYSA-N,3,1,0.494,16,242,448.849,3.718,5,0.375,0.75,1.0,0.9114865327941882,0.8725070248783496,0.4883404153245151,0.469878692344596,0.6855531663354122
EOS-3-18008,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cnc2F)nn1,PCTNWQQEVZTENT-UHFFFAOYSA-N,3,1,0.506,73,391,455.816,2.887,5,0.398,0.68,1.0,0.5552566650675074,0.7755637036529367,0.4314903022411075,0.517433692001919,0.5699360907408676
EOS-3-18009,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5cncnn5)cn4)n23)ccc1Cl,NPORSBUBCAYLIF-UHFFFAOYSA-N,3,1,0.477,51,946,431.847,2.974,5,0.413,0.64,1.0,0.709769721060928,0.8203944212185594,0.3653622095812487,0.3881759303680351,0.5709255705571928
EOS-3-18010,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5nnn(C)c5C)ncn4)n23)nc1,LABLDEMRNBPXDF-UHFFFAOYSA-N,3,1,0.314,33,60,441.459,1.031,5,0.423,0.59,0.853,0.02298505928311973,0.023636145569186483,0.0107514906449181,0.003135494482900418,0.015127047495031182
EOS-3-18011,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)nn2)cn1,IVXKRYVACBEWLF-UHFFFAOYSA-N,3,1,0.287,39,114,433.439,2.501,6,0.412,0.62,0.666,0.02866493043657049,0.01333013501473511,0.0794924953738606,0.0919745048317456,0.05336551641422795
EOS-3-18012,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)nc4)n23)cn1,RQIYWWLRLYBZHZ-UHFFFAOYSA-N,3,1,0.282,70,899,433.439,2.501,6,0.412,0.62,1.0,0.08526660270029471,0.05159002124597355,0.1685114111438558,0.1762816119525735,0.12041241176067438
EOS-3-18013,CCn1nnc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cc2F)n1,VTDMIEJWCVNXHA-UHFFFAOYSA-N,3,1,0.338,50,261,422.815,2.714,5,0.434,0.68,1.0,0.24465423891439927,0.37668768418888354,0.07747070111712699,0.17927146871359056,0.2195210232335001
EOS-3-18014,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nn2C)o1,CXVCBKDEZRAJJT-UHFFFAOYSA-N,3,1,0.457,95,235,436.863,3.158,5,0.399,0.68,1.0,0.33411006785004455,0.257273319169351,0.14069460626413544,0.1472483037488863,0.21983157425810432
EOS-3-18015,CCn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)nn1,LSKKTMKAUHVXSM-UHFFFAOYSA-N,3,1,0.274,10,195,434.467,3.317,6,0.41,0.65,0.893,0.005448564183400726,0.013338701939551778,0.14358165992735247,0.16821156877527244,0.08264512370639435
EOS-3-18016,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cc1-c1ccccc1,PETURPLGUIXQKG-UHFFFAOYSA-N,3,1,0.54,19,266,448.889,4.606,5,0.379,0.81,1.0,0.60021588650538,0.5779761496813104,0.7271948461380303,0.789998971969022,0.6738464635734357
EOS-3-18017,c1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)nc1,FXQMZQKOXOLBBI-UHFFFAOYSA-N,3,1,0.319,38,186,435.476,3.829,6,0.411,0.67,1.0,0.06484305393735865,0.13668528544993488,0.22262867521074636,0.2718113905832362,0.17399210129531903
EOS-3-18019,Fc1cccc(Cn2cc(-c3nnc4cncc(Cc5ccc(-c6cccnn6)cc5)n34)cn2)c1,YSDIHDLQWCFKLX-UHFFFAOYSA-N,3,1,0.349,77,319,462.492,4.223,6,0.368,0.78,1.0,0.1291292577616339,0.16731204166952232,0.6467514221095195,0.6831522856555411,0.40658625179905417
EOS-3-18020,Cc1ccnc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)n1,MGIZBBOXQMWIKA-UHFFFAOYSA-N,3,1,0.438,65,65,429.419,2.502,5,0.401,0.67,1.0,0.6644078541566719,0.5633438420944418,0.21911623603591254,0.20439825920087726,0.41281654787197586
EOS-3-18021,OCc1ccnc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)c1,YTGRGICUIMHNEO-UHFFFAOYSA-N,3,1,0.408,2,422,446.858,2.763,5,0.419,0.67,1.0,0.47148927421012954,0.5264889315331369,0.49834658351038313,0.46365910492769513,0.4899959735453362
EOS-3-18022,Cc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n(C)n1,YLDMMIDUMWQUSZ-UHFFFAOYSA-N,3,1,0.472,46,128,432.875,3.523,5,0.419,0.68,1.0,0.38041429648413405,0.5082071139743678,0.3505071619491467,0.3333647453909944,0.3931233294496608
EOS-3-18023,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cn1,UXTVAWDWABCQDS-UHFFFAOYSA-N,3,1,0.495,11,173,447.861,4.057,5,0.362,0.78,0.99,0.8710506476595161,0.9177403879103557,0.6108817079021315,0.642485093550819,0.7605394592557055
EOS-3-18024,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cn2)n1,ZFJZCYMFAUFIFE-UHFFFAOYSA-N,3,1,0.286,94,165,434.423,3.064,6,0.407,0.66,1.0,0.1813960660681242,0.15192584469878692,0.17174114179973957,0.15778562127338772,0.16571216846000958
EOS-3-18025,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)n2)o1,HPTODXSOTZUJCP-UHFFFAOYSA-N,3,1,0.295,76,114,434.423,3.064,6,0.407,0.66,0.577,0.056113357549174146,0.04081282982660544,0.036974847508738265,0.046304228634089506,0.04505131587965184
EOS-3-18026,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)nc1,SSEPDZCNWNWWKA-UHFFFAOYSA-N,3,1,0.225,86,953,434.427,1.989,6,0.405,0.63,1.0,2.5700774450003426e-05,0.001970392707833596,0.027234253992186964,0.032143101912137616,0.015343362346652045
EOS-3-18027,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)c(F)c1,BAFVXVVHJRRLMS-UHFFFAOYSA-N,3,1,0.359,3,615,467.443,3.989,6,0.387,0.75,1.0,0.2764375299842369,0.37669625111370025,0.6343208142005345,0.6886693852374751,0.49403099513398674
EOS-3-18028,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)cc1,HGMHOPQYLBVETL-UHFFFAOYSA-N,3,1,0.636,36,734,434.41,3.498,5,0.404,0.67,1.0,0.7190648344870125,0.4635049002809951,0.679905421150024,0.5572955931738743,0.6049426872729765
EOS-3-18029,COc1nc(-c2nncn2C)ccc1-c1nnc2cncc(OCc3cnc(C)cc3F)n12,DNHZCBTWSCRSAG-UHFFFAOYSA-N,3,1,0.473,36,180,447.434,2.412,5,0.387,0.68,0.998,0.5014820779932835,0.3767048180385169,0.16216331985470495,0.10001028030978,0.28509012404907136
EOS-3-18030,Cc1ncc(F)cc1-c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)ccc1Cl,OZRXTSPNQQHDMT-UHFFFAOYSA-N,3,1,0.388,14,358,473.899,4.039,5,0.412,0.75,0.107,0.2421783976423823,0.26271331642793505,0.6746110616133233,0.6594818723870879,0.45974616201768215
EOS-3-18031,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5cnnn5C)c4)n23)c1F,IFNPGDJQJPGLME-UHFFFAOYSA-N,3,1,0.506,16,606,434.41,3.147,5,0.419,0.66,1.0,0.5397333972997053,0.5400075388938387,0.6496470426975532,0.5857549174148448,0.5787857240764854
EOS-3-18032,CCn1c(-c2c(F)cccc2F)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,PMRSVRVJHMTQLB-UHFFFAOYSA-N,3,1,0.435,22,252,437.841,4.668,5,0.408,0.77,1.0,0.29321156877527244,0.6643992872318553,0.5466297717771229,0.7785021588650538,0.5706856966623262
EOS-3-18033,COc1ccc(F)cc1COc1cncc2nnc(-c3ccnc(-c4cnc(C)o4)c3)n12,YYONTBFFYNKBQM-UHFFFAOYSA-N,3,1,0.489,97,183,432.415,3.876,5,0.399,0.74,1.0,0.7577187992598177,0.568004249194709,0.6374734425330684,0.4669231032828456,0.6075298985676101
EOS-3-18034,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cnc(C)nc5)c4)n23)n(C)n1,MCHPECIUMMIJLQ-UHFFFAOYSA-N,3,1,0.471,4,253,430.447,3.317,5,0.422,0.7,1.0,0.46895346446439584,0.5082156808991845,0.4095418408608046,0.3084178603248578,0.4237822116373106
EOS-3-18035,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)n2)cc1,DBATXYWCZBUCIM-UHFFFAOYSA-N,3,1,0.327,76,871,440.467,4.302,6,0.406,0.73,0.926,0.004985950243300665,0.051598588170790216,0.342659858817079,0.4481015694606264,0.21183649167294907
EOS-3-18036,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cn5)n34)cn2)n(C)n1,JINCDTFGZWBGEM-UHFFFAOYSA-N,3,1,0.287,70,968,434.467,3.347,6,0.452,0.66,1.0,0.102434720032897,0.10689808786238092,0.22991912822973065,0.19553149201562606,0.15869585703515865
EOS-3-18037,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)nc1,CMWFXUOTLIMCRF-UHFFFAOYSA-N,3,1,0.488,73,196,452.812,3.549,5,0.399,0.68,1.0,0.9143478856829552,0.9215012679048729,0.5889332465218285,0.6395723391131519,0.7660886848057021
EOS-3-18038,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)c1,ZJIOFYTXSCFBSN-UHFFFAOYSA-N,3,1,0.289,99,356,452.417,2.035,6,0.39,0.63,1.0,0.09263415804262902,0.17598176958399014,0.09594955794667946,0.19008292783222536,0.13866210335138102
EOS-3-18039,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cc5)o4)n23)nc1,KLDXRNPGAXXIPV-UHFFFAOYSA-N,3,1,0.313,70,572,455.869,3.957,6,0.392,0.75,0.948,0.18140463299294085,0.31384929065862516,0.3466092111575629,0.42579329723802345,0.3169141080117881
EOS-3-18040,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)c1,OHPTXPCKHVJOKL-UHFFFAOYSA-N,3,1,0.43,18,194,448.849,3.452,5,0.389,0.67,0.647,0.7670310465355356,0.7131707902131451,0.5698204372558426,0.6248286615036667,0.6687127338770475
EOS-3-18041,Cc1cc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)ncn1,UWVUHEPYAMHFIQ-UHFFFAOYSA-N,3,1,0.56,11,796,443.898,4.227,5,0.388,0.73,1.0,0.740070934137482,0.7625933794805017,0.5262233568638202,0.5174422589267357,0.6365824823521349
EOS-3-18042,CCn1cnc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)cn2)c1,VYONNJSWYODIGJ-UHFFFAOYSA-N,3,1,0.27,86,892,435.455,2.712,6,0.406,0.66,0.874,0.006844972928517579,0.014649441436501954,0.09362792132136248,0.09198307175656227,0.05177635186073607
EOS-3-18043,Cc1nnc(-c2cccc(-c3nnc4cncc(Oc5c(F)cncc5Cl)n34)c2)o1,ZDKMFPIQFHPEKA-UHFFFAOYSA-N,3,1,0.448,13,374,423.795,4.13,5,0.425,0.73,1.0,0.7252244534301967,0.6890463299294085,0.5597371667466247,0.5636522513878418,0.634415050373518
EOS-3-18044,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)nn2)cn1,NBKNCKZVOWJPSE-UHFFFAOYSA-N,3,1,0.3,76,14,421.424,3.304,6,0.426,0.71,1.0,0.06485162086217532,0.0372318552532383,0.27708004934548697,0.2663114248509355,0.16136873757795903
EOS-3-18046,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)[nH]1,PNTWPUYDOKPGAS-UHFFFAOYSA-N,3,1,0.283,98,945,421.428,2.434,6,0.46,0.69,0.996,0.06875813857857584,0.08469261873757795,0.06870673702967582,0.11562778425056541,0.08444631964909875
EOS-3-18047,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2F)nn1,SOQXFAKNTDHKSU-UHFFFAOYSA-N,3,1,0.5,20,658,429.419,2.502,5,0.401,0.64,1.0,0.819246453293126,0.8126756219587417,0.22992769515454733,0.22768316085258036,0.5223832328147489
EOS-3-18049,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1F,FWXOIJFVUSCAKM-UHFFFAOYSA-N,3,1,0.517,16,772,438.373,2.978,5,0.389,0.68,0.994,0.7609399629908848,0.7131793571379618,0.6988897265437598,0.6831608525803577,0.714042474813241
EOS-3-18050,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)no1,OXYBEJMVKYVZFQ-UHFFFAOYSA-N,3,1,0.31,38,213,422.412,2.699,6,0.421,0.71,1.0,0.09506716469056267,0.0777105750119937,0.08436707559454458,0.1311510520183675,0.09707396682886713
EOS-3-18051,COc1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)ccc4F)n23)cn1,VKOFTGGVDBKXEJ-UHFFFAOYSA-N,3,1,0.506,90,255,419.338,3.932,4,0.457,0.77,1.0,0.9542954561030772,0.9405969433212255,0.9912960043862655,0.964464395860462,0.9626631999177575
EOS-3-18052,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4F)n23)n1,IHIHYXJGVOLACU-UHFFFAOYSA-N,3,1,0.325,98,259,453.445,2.583,6,0.4,0.62,0.999,0.1841631827839079,0.26790487286683573,0.1407031731889521,0.1682201357000891,0.1902478411349462
EOS-3-18053,N#Cc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cn1,FLWNTUNOZQOBBT-UHFFFAOYSA-N,3,1,0.415,46,119,441.842,3.142,5,0.404,0.62,1.0,0.5577496401891577,0.7498800630525666,0.5498423685833733,0.5732472071825098,0.6076798197519019
EOS-3-18054,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)ccn2)cn1,QHSQUKFZJJVIBH-UHFFFAOYSA-N,3,1,0.598,75,583,459.897,3.411,5,0.394,0.71,1.0,0.622883969570283,0.5881964909875951,0.5296758275649373,0.537317524501405,0.5695184531560551
EOS-3-18055,CCc1nc(-c2nnc3cncc(OCc4cccc(C)n4)n23)ccc1-c1cnn(C)c1C,WJBBNNMVBPMMAS-UHFFFAOYSA-N,3,1,0.388,31,690,440.511,3.74,5,0.397,0.76,1.0,0.170002056061956,0.10690665478719759,0.11758961003358234,0.055727845932424094,0.11255654170379001
EOS-3-18056,CCn1c(C)nc(-c2cnc(CO)nc2)c1-c1cncc2nnc(-c3ccc(Cl)cn3)n12,ONEUYNRPBIYXKD-UHFFFAOYSA-N,3,1,0.267,50,489,447.89,2.981,5,0.436,0.67,0.683,0.24466280583921596,0.27803954492495375,0.05501679117264067,0.09199163868137893,0.16742769515454733
EOS-3-18057,COc1nc(C(F)(F)F)ncc1COc1cncc2nnc(-c3ccc(Cl)c(C)c3)n12,UIOSHNYRDNPMBC-UHFFFAOYSA-N,3,1,0.53,68,900,450.808,4.15,4,0.451,0.67,1.0,0.9388921252827085,0.9377098896580084,0.8846035227194846,0.7270149407168802,0.8720551195942703
EOS-3-18058,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cc1,RSNBSCBDKUCTMJ-UHFFFAOYSA-N,3,1,0.338,38,42,449.453,3.85,6,0.403,0.67,1.0,0.26619148790350217,0.2679134397916524,0.3731409773147831,0.372164347885683,0.3198525632239052
EOS-3-18059,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,JESXYRBWSIHCJN-UHFFFAOYSA-N,3,1,0.583,15,889,431.887,3.862,5,0.406,0.69,1.0,0.7783736549928038,0.6988811596189431,0.5364265643204715,0.5272342539921869,0.6352289082311012
EOS-3-18060,Cn1ncnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,OTAZJMYGESRUPM-UHFFFAOYSA-N,3,1,0.373,33,53,468.481,1.848,6,0.379,0.72,1.0,0.18692173257487493,0.07066856281269275,0.029513055993420603,0.029281749023370572,0.0790962751010897
EOS-3-18061,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cn(C)nn6)n[nH]5)n34)nc2)n(C)n1,NMZFFQPRFXHMHM-UHFFFAOYSA-N,3,1,0.239,99,813,438.459,2.081,6,0.442,0.6,0.756,0.028673497361387155,0.05543657048865739,0.06871530395449249,0.050330683297923375,0.0507890137756151
EOS-3-18062,Cc1ncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)s1,AQZJAEMOPTUGRZ-UHFFFAOYSA-N,3,1,0.304,38,787,438.476,4.335,6,0.4,0.76,1.0,0.11548214652868206,0.1886608183126585,0.14359022685216916,0.17629017887739018,0.156005842642725
EOS-3-18063,Cc1ccnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)n1,WBTWRBDHYDFRBP-UHFFFAOYSA-N,3,1,0.284,32,557,443.474,4.076,6,0.401,0.68,1.0,0.12058803371941608,0.09403913371256253,0.29512199300938935,0.2839250222740045,0.19841854567884312
EOS-3-18064,Cc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5nccnn5)cc4)n23)n1,XFTLYHKPRVKRCG-UHFFFAOYSA-N,3,1,0.304,38,787,443.474,4.076,6,0.401,0.68,1.0,0.15662051949832087,0.10691522171201426,0.3319083681721609,0.3207028305119594,0.22903673497361388
EOS-3-18065,Fc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ncccn1,RLQJNBDTNGNBDV-UHFFFAOYSA-N,3,1,0.411,46,565,434.822,3.41,5,0.387,0.71,1.0,0.8394301281611952,0.7713573435679528,0.5018504557604002,0.5272428209170036,0.6599701871016379
EOS-3-18066,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccsc5)cn4)n23)cc1F,CRFCDVDCENYGMI-UHFFFAOYSA-N,3,1,0.556,35,788,474.521,4.035,5,0.383,0.8,1.0,0.5859947913097114,0.3717274347200329,0.5296843944897539,0.43223562470015764,0.47991056130491394
EOS-3-18067,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cnn1,YZWKLUDXPWOXLJ-UHFFFAOYSA-N,3,1,0.452,92,728,430.392,-0.155,5,0.378,0.71,1.0,0.32657117401137686,0.1441556438900692,0.0075817284627510105,0.00297272291138373,0.12032031731889521
EOS-3-18068,Cn1cncc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)on1,MMJPBXKNCKBKMD-UHFFFAOYSA-N,3,1,0.315,98,882,424.428,2.642,6,0.424,0.66,1.0,0.0687667055033925,0.04806044822150641,0.14983551504351997,0.13115961894318415,0.09945557192790075
EOS-3-18069,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,AHWXDHXESPJAQX-UHFFFAOYSA-N,3,1,0.472,16,55,435.85,3.958,5,0.415,0.68,1.0,0.6886522513878418,0.5633524090192584,0.8171818244123089,0.8011274073058735,0.7175784730313207
EOS-3-18070,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(-c2cccnc2F)n1,LPDGATHLANPUDT-UHFFFAOYSA-N,3,1,0.547,4,675,447.861,4.323,5,0.37,0.8,1.0,0.8956462888081694,0.9490267973408265,0.6437187307244192,0.6652645466383387,0.7884140908779385
EOS-3-18071,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)nn1,OHBZMLSBHGJCRF-UHFFFAOYSA-N,3,1,0.321,94,170,444.462,3.471,6,0.402,0.65,1.0,0.10741210335138099,0.10355698718388047,0.3133524090192584,0.289819066547872,0.20353514152559798
EOS-3-18072,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3cc(C)cnc3OC)n12,HSMPNLFNVGYSAQ-UHFFFAOYSA-N,3,1,0.435,16,375,455.478,3.548,5,0.364,0.74,1.0,0.38946953601535195,0.1001987526557467,0.32453224590500995,0.13779898567610172,0.23799988006305256
EOS-3-18073,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)c2)nn1,UEHWVNSJSQCWFM-UHFFFAOYSA-N,3,1,0.352,9,50,443.474,4.076,6,0.401,0.69,1.0,0.15910492769515455,0.11006785004454801,0.4314988691659242,0.4290144609690905,0.28242152696867934
EOS-3-18074,Cc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5cncnn5)n4)n23)cn1,DYXGVKAXHKVYKV-UHFFFAOYSA-N,3,1,0.478,4,390,431.847,2.974,5,0.413,0.67,1.0,0.5718336645877595,0.6595675416352547,0.27289939003495306,0.28667500514015487,0.4477439003495305
EOS-3-18076,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,UOIYFCHDFRARKY-UHFFFAOYSA-N,3,1,0.471,20,279,432.875,3.257,5,0.406,0.66,1.0,0.5860033582345281,0.5400161058186553,0.33912171886779524,0.35563874991433075,0.45519498320882734
EOS-3-18077,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnnn5-c5ccccc5)n34)nc2)nn1,YVPRIBQJRHOJEW-UHFFFAOYSA-N,3,1,0.273,99,952,422.416,1.624,6,0.416,0.69,0.906,0.007992940853951067,0.006656500582550888,0.030541086971420738,0.04906277842505654,0.023563326708244806
EOS-3-18079,c1cnc(Oc2ccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)nc2)nc1,JQYIMMPQWIGUJD-UHFFFAOYSA-N,3,1,0.256,86,114,446.434,3.288,6,0.389,0.69,1.0,0.2687615653485025,0.1441642108148859,0.1527825371804537,0.1422966212048523,0.1770012336371736
EOS-3-18080,COc1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1nccn1C,AKVWFVJULJVROU-UHFFFAOYSA-N,3,1,0.462,36,375,430.472,2.821,5,0.409,0.67,1.0,0.2985487629360565,0.1519344116236036,0.1751936125008567,0.06991467342882599,0.17389786512233568
EOS-3-18081,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cc1,FNWPYPIMUMWYQB-UHFFFAOYSA-N,3,1,0.346,3,923,454.4,4.244,6,0.389,0.73,1.0,0.3734579535329998,0.4765865944760469,0.7398910287163319,0.782931258995271,0.5932167089301624
EOS-3-18082,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1F,ZLRIYWJKBVNFEI-UHFFFAOYSA-N,3,1,0.547,26,125,433.422,3.487,5,0.408,0.67,1.0,0.8790007538893838,0.6890548968542252,0.7612826399835515,0.729730655883764,0.7647672366527312
EOS-3-18083,N#Cc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)nc5)n34)nn2)c1,UVNZZRYBOAZQLZ-UHFFFAOYSA-N,3,1,0.287,86,872,461.424,2.902,6,0.388,0.69,1.0,0.031037968610787472,0.1802223973682407,0.49150161058186553,0.5343619354396546,0.3092809780001371
EOS-3-18084,N#Cc1cccc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)n2)c1,XDBHUAMAYJOTSK-UHFFFAOYSA-N,3,1,0.291,39,527,461.424,2.902,6,0.388,0.69,0.736,0.028682064286203825,0.17143273250633953,0.2655746693167021,0.40993591940237134,0.21890634637790418
EOS-3-18085,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1ncno1,JUUHXBOMYDNSOJ-UHFFFAOYSA-N,3,1,0.663,91,313,448.87,4.125,5,0.366,0.75,1.0,0.7252330203550134,0.6644078541566719,0.6228325680213831,0.5701631142485094,0.6456591391953944
EOS-3-18086,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)cc1=O,SRBFWFXQPWPANE-UHFFFAOYSA-N,3,1,0.474,15,848,443.442,2.708,5,0.372,0.72,1.0,0.5271571516688369,0.3952779110410527,0.39909019258446987,0.3657734219724488,0.42182466931670204
EOS-3-18087,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ccnnc6)c5)n34)cc2)nc1,DWMQZNMTNPRLBE-UHFFFAOYSA-N,3,1,0.301,42,608,429.447,3.767,6,0.417,0.68,1.0,0.15381056815845384,0.11932869577136591,0.4848279761496813,0.46366767185251184,0.3054087279830032
EOS-3-18088,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccncc5-c5ccnnc5)n34)cc2)cn1,GAHHOJVPSASFHM-UHFFFAOYSA-N,3,1,0.333,42,50,429.447,3.767,6,0.417,0.68,1.0,0.217479953395929,0.11311767527928175,0.5698290041806593,0.5636608183126585,0.3660218627921321
EOS-3-18089,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)c1,ITZMTMJIVNPEEH-UHFFFAOYSA-N,3,1,0.542,43,521,419.395,3.444,5,0.434,0.72,1.0,0.5527979576451237,0.47659516140086355,0.7297220889589473,0.7191676375848125,0.6195707113974368
EOS-3-18090,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-n5cccc5)cnn4)n23)c(F)c1,RRQDQNXIHMRWNN-UHFFFAOYSA-N,3,1,0.464,4,534,430.403,2.189,5,0.438,0.61,1.0,0.41551298745802207,0.3191093824960592,0.4128915084641217,0.33668014529504486,0.37104850592831196
EOS-3-18091,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(C)nn5)cc(C#N)n4)n23)cn1,ANZGKDHJPHSYQM-UHFFFAOYSA-N,3,1,0.361,7,587,436.439,2.501,5,0.403,0.64,1.0,0.3315742581043109,0.22740045233363032,0.1847457336714413,0.12484579535329998,0.21714155986567063
EOS-3-18093,COc1cc(-c2nnn(C)n2)ccc1-c1cncc2nnc(-c3ccc(-c4cocn4)nc3)n12,XVJSTYUOFWDEHX-UHFFFAOYSA-N,3,1,0.337,98,727,452.438,2.707,6,0.384,0.69,1.0,0.2338513467205812,0.10356555410869714,0.15572955931738744,0.11331471455006512,0.15161529367418272
EOS-3-18094,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)cn1,JCYACTDIGBTTRC-UHFFFAOYSA-N,3,1,0.284,99,601,436.443,1.839,6,0.406,0.63,0.983,0.06877527242820917,0.044402371324789254,0.02396168871221986,0.023713247892536496,0.0402131450894387
EOS-3-18095,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)s2)nn1C,RIOQTMXFNULVIO-UHFFFAOYSA-N,3,1,0.407,22,844,425.88,4.416,5,0.428,0.75,1.0,0.29855732986087313,0.45459529847166064,0.36914879035021586,0.4940888218764992,0.4040975601398122
EOS-3-18096,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ncn4)n23)cn1,MKKAWYOJNSARMQ-UHFFFAOYSA-N,3,1,0.434,7,185,441.415,0.767,5,0.396,0.64,1.0,0.45508361318621066,0.2117572476183949,0.04268041943663902,0.016825440339935577,0.18158668014529505
EOS-3-18097,Cc1nn(C)cc1-c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)ncn1,ZLNOYYNJKUDRCV-UHFFFAOYSA-N,3,1,0.34,85,290,426.444,1.375,5,0.444,0.62,1.0,0.04948255774107326,0.03120074018230416,0.03838839010348845,0.01556610239188541,0.033659447604687816
EOS-3-18098,CNC(=O)c1ccc(-c2nnc3cncc(Cc4nnc(-c5ccc(Cl)nn5)n4C)n23)nc1,KCGDHKFCLUKLKG-UHFFFAOYSA-N,3,1,0.343,33,60,461.877,1.376,5,0.41,0.64,0.444,0.08773387704749504,0.1759903365088068,0.010760057569734768,0.01016037283256802,0.07116116098965115
EOS-3-18099,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,BNOVWFNGCYUEIR-UHFFFAOYSA-N,3,1,0.489,87,227,432.875,3.257,5,0.406,0.67,1.0,0.6034199163868138,0.5355270372147214,0.4203961346035227,0.41946233979850595,0.494701357000891
EOS-3-18100,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)nc2)ccn1,JZQQTSFRXURLSS-UHFFFAOYSA-N,3,1,0.265,42,339,447.437,3.906,6,0.375,0.71,1.0,0.2446713727640326,0.28323110136385443,0.6609639503803715,0.6740370776506065,0.4657258755397162
EOS-3-18101,Fc1ncccc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)cn1,YWHBMKVDBSZGIK-UHFFFAOYSA-N,3,1,0.303,42,106,447.437,3.906,6,0.375,0.71,1.0,0.2904444520594887,0.36209821122609825,0.5163199917757522,0.5309094647385375,0.4249430299499692
EOS-3-18102,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cn1,RWDHGRINOMMFHQ-UHFFFAOYSA-N,3,1,0.306,9,339,447.437,3.906,6,0.375,0.71,1.0,0.3009903365088068,0.3430967719827291,0.6312795558906175,0.6395809060379686,0.4787368926050305
EOS-3-18103,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)nn1,WILMXPHMSVZYGN-UHFFFAOYSA-N,3,1,0.32,8,952,454.845,2.334,6,0.39,0.65,0.916,0.0229936262079364,0.1595418408608046,0.0567387430607909,0.13116818586800083,0.09261059899938319
EOS-3-18104,Clc1ccc(COc2cncc3nnc(-c4cc(-c5ncc(Cl)cn5)ccn4)n23)nc1,BTMXDCGCTLSLHF-UHFFFAOYSA-N,3,1,0.506,73,949,451.277,3.924,5,0.396,0.69,1.0,0.4714978411349462,0.5590175450620245,0.4813412377492975,0.5701716811733261,0.5205070762798986
EOS-3-18105,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5cccs5)nn4C)n23)cn1,ZBRCWMZEHNMFNK-UHFFFAOYSA-N,3,1,0.293,99,286,441.484,2.506,6,0.41,0.64,0.717,0.07079706668494277,0.10020731958056336,0.011933726269618259,0.011094167637584813,0.048508070043177295
EOS-3-18106,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cc1,NECMSBLCIKGXGN-UHFFFAOYSA-N,3,1,0.4,96,139,411.4,3.153,5,0.455,0.87,1.0,0.23112706462888083,0.15955040778562127,0.6437272976492359,0.5732557741073264,0.4019151360427661
EOS-3-18107,COc1cc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1nncc(C)n1,SHCPDZRRFQAAIM-UHFFFAOYSA-N,3,1,0.6,4,248,431.481,3.601,5,0.402,0.73,1.0,0.4089078884243712,0.3859827976149681,0.2369868412034816,0.14968131039681995,0.2953897094099102
EOS-3-18108,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nnc1Cl,OOTMXKVAISIBJX-UHFFFAOYSA-N,3,1,0.518,15,300,448.849,3.452,5,0.389,0.65,1.0,0.9314303337673908,0.9195908436707559,0.41290007538893836,0.4605578781440614,0.6811197827427866
EOS-3-18109,Cc1cccc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)n1,HZHOQGNZALJGJM-UHFFFAOYSA-N,3,1,0.535,11,684,426.455,4.317,5,0.377,0.82,1.0,0.8790093208142006,0.8454269755328627,0.6879154958536083,0.627681447467617,0.7600083099170721
EOS-3-18110,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)nc1,ZHAMMUKTUNNPIS-UHFFFAOYSA-N,3,1,0.416,46,980,436.838,3.353,5,0.417,0.65,1.0,0.6519258446987869,0.5590261119868412,0.6343293811253512,0.6306284696045508,0.6189774518538825
EOS-3-18111,Cc1ccc(COc2cncc3nnc(-c4cncc(OCc5ccccc5)c4)n23)cn1,VDAIOGUYUWRDMX-UHFFFAOYSA-N,3,1,0.62,1,230,424.464,4.048,5,0.389,0.8,1.0,0.5271657185936536,0.2987543691316565,0.6407802755123021,0.5105887190734014,0.49432227057775346
EOS-3-18113,c1cnnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,IGBUKBUFKLROMK-UHFFFAOYSA-N,3,1,0.392,56,428,449.438,2.402,6,0.402,0.63,1.0,0.537240422178055,0.4050527722568707,0.12583955863203344,0.11332328147488177,0.29536400863546025
EOS-3-18114,COc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)nc(C)n2)cc1F,UHGKKLZUAZEFDK-UHFFFAOYSA-N,3,1,0.544,44,531,457.469,3.721,5,0.365,0.75,1.0,0.5890103488451786,0.4279350284421904,0.3616955657597149,0.27181995750805293,0.4126152251387842
EOS-3-18116,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6)nn5)n34)nc2)s1,HNJAYCYTTPQDMK-UHFFFAOYSA-N,3,1,0.302,10,37,456.47,3.4,6,0.397,0.7,0.991,0.0022702350764169693,0.09709752587211294,0.15279110410527036,0.21886779521622918,0.11775666506750736
EOS-3-18117,Cc1cccnc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cn1,BBCFRTOGQBOVCS-UHFFFAOYSA-N,3,1,0.316,42,174,442.486,4.681,6,0.391,0.78,1.0,0.1619662805839216,0.14417277773970255,0.48483654307449797,0.48197519018573093,0.3182376978959633
EOS-3-18118,Cn1ncnc1-c1cnc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1F,MOPGTGBKBWVSMV-UHFFFAOYSA-N,3,1,0.467,46,128,437.826,2.748,5,0.413,0.62,0.935,0.4178260571585224,0.49452573504214925,0.31336097594407514,0.3817593036803509,0.4018680179562744
EOS-3-18119,Cc1cnc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccc(C)nn5)c4)n23)cn1,DENSFVPHJRAMGC-UHFFFAOYSA-N,3,1,0.467,7,587,445.874,3.283,5,0.375,0.69,0.988,0.40664622027277086,0.5038208484682338,0.21233123158111164,0.190091494757042,0.32822244876978957
EOS-3-18120,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)nc1,DASDPHPOLVCFEI-UHFFFAOYSA-N,3,1,0.5,2,491,452.812,3.549,5,0.399,0.69,1.0,0.6796141457062573,0.7498886299773834,0.7063686519087109,0.727023507641697,0.7157237338085122
EOS-3-18121,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)n(C)n5)n34)c2)nn1,KHWPQVPXLQQULJ-UHFFFAOYSA-N,3,1,0.483,15,482,447.89,2.96,5,0.391,0.69,1.0,0.5014906449181002,0.6020406414913303,0.13768761565348503,0.15779418819820437,0.34975327256528
EOS-3-18122,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2C)c(F)c1F,OQMNQDWDAJEFQC-UHFFFAOYSA-N,3,1,0.5,95,235,448.437,3.19,5,0.394,0.7,1.0,0.4023284901651703,0.2939397573846892,0.3880388595709684,0.35265746007813037,0.35924114179973954
EOS-3-18123,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccncc5)c4)n23)cn1,MAWINZYSUYWCGO-UHFFFAOYSA-N,3,1,0.466,27,430,431.406,4.16,5,0.399,0.74,1.0,0.7670396134603523,0.6988897265437598,0.8463607703378795,0.7585926255911178,0.7677206839832773
EOS-3-18124,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccc5)n4)n23)cn1,WPQVJPPYLJMNMV-UHFFFAOYSA-N,3,1,0.494,27,700,431.406,4.16,5,0.399,0.74,1.0,0.6144883832499486,0.6212305530806662,0.7323949695017477,0.6712185593859228,0.6598331163045712
EOS-3-18125,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5ncon5)c4)n23)cc1,BPOPILRXUBJACJ-UHFFFAOYSA-N,3,1,0.4,85,357,412.413,2.187,5,0.466,0.76,1.0,0.19527448427112604,0.08125728188609417,0.1948033034062093,0.11794085395106572,0.1473189808786238
EOS-3-18126,c1ncc(-n2cc(-c3cncc4nnc(-c5ccnc(-c6cncs6)c5)n34)cn2)nn1,RKUZVHHFOONFTG-UHFFFAOYSA-N,3,1,0.293,86,780,425.441,2.348,6,0.418,0.66,1.0,0.004994517168117333,0.014658008361318621,0.12584812555685013,0.1447210609279693,0.07255542800356385
EOS-3-18127,CN(Cc1nc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cnc1Cl)CC(F)F,HDEVOFCEMLNIJM-UHFFFAOYSA-N,3,1,0.402,66,455,472.887,2.621,4,0.419,0.67,1.0,0.27644609690905353,0.25728188609416763,0.295130559934206,0.2718285244328696,0.27517176684257416
EOS-3-18128,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cn2)nc1,HKUVFDFAODEFPG-UHFFFAOYSA-N,3,1,0.267,10,952,437.402,2.425,6,0.409,0.64,1.0,0.015334795421835377,0.10692378863683093,0.09363648824617915,0.16558152285655542,0.09536914879035022
EOS-3-18129,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nn2)cn1,JGUWQMCDEALXNR-UHFFFAOYSA-N,3,1,0.406,54,602,449.837,2.847,5,0.36,0.67,0.802,0.7190734014118292,0.7626019464053183,0.2729079569597697,0.3556473168391474,0.5275576554040162
EOS-3-18130,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)nc1,DQMKYHCBPAITRG-UHFFFAOYSA-N,3,1,0.435,65,265,450.865,3.396,5,0.391,0.67,0.998,0.7493146460146666,0.6498783496676033,0.4983551504351998,0.5073161537934343,0.601216074977726
EOS-3-18131,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)n(C)n2)n1,BBPLFMZJCXRKDD-UHFFFAOYSA-N,3,1,0.273,99,286,437.431,1.234,6,0.395,0.67,0.999,0.04949112466588993,0.04441093824960592,0.021982729079569597,0.020474950311836063,0.03408993557672538
EOS-3-18132,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c(F)c1F,YWUNMTQTDBACJL-UHFFFAOYSA-N,3,1,0.477,59,445,434.381,4.245,5,0.385,0.77,1.0,0.8686347748612158,0.8243009389349599,0.9227520389281064,0.907057432663971,0.8806862963470633
EOS-3-18133,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnn5)nc4)n23)nc1,WAKSNRITPYXIKC-UHFFFAOYSA-N,3,1,0.287,70,114,430.435,3.162,6,0.415,0.66,0.938,0.07277602631759304,0.07067712973750942,0.14648584744020288,0.19010006168185867,0.120009766294291
EOS-3-18134,Cc1cc(OCc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)ccc1Cl,MTBDRVMFDAMGLI-UHFFFAOYSA-N,3,1,0.433,14,18,430.899,4.733,5,0.403,0.83,1.0,0.3734665204578165,0.43255260091837433,0.8244465766568433,0.7875316976218216,0.6044993489137139
EOS-3-18135,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4cccc(C(F)(F)F)c4)n23)cc1,RZCAMQHOAMWXNA-UHFFFAOYSA-N,3,1,0.35,0,999,441.388,4.667,5,0.369,0.85,1.0,0.4066547871975876,0.489736824069632,0.9604293742718114,0.9501833321910766,0.7017510794325269
EOS-3-18136,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3ncnnc3-c3cccnc3)n12,ANSASOOMQJUDNO-UHFFFAOYSA-N,3,1,0.444,56,425,467.428,2.542,6,0.388,0.68,1.0,0.6341237749297512,0.6303029264615174,0.2407134534987321,0.26002330203550134,0.44129086423137553
EOS-3-18137,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)ncn2)cn1,UYSZEISKFHYUNX-UHFFFAOYSA-N,3,1,0.36,31,296,446.862,2.412,5,0.383,0.67,1.0,0.49645329312589953,0.4766037283256802,0.0914690562675622,0.1179494208758824,0.2956188746487561
EOS-3-18138,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)cn2)c1,PUVXWDLGSUVUKJ-UHFFFAOYSA-N,3,1,0.476,55,823,436.838,3.353,5,0.417,0.66,1.0,0.7811750394078542,0.7223116989925297,0.6108902748269481,0.6070608594338976,0.6803594681653073
EOS-3-18139,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)nn1,LIWKJCFCTLSFPI-UHFFFAOYSA-N,3,1,0.529,16,134,436.838,3.353,5,0.417,0.66,1.0,0.5271742855184703,0.7362415187444314,0.5825937221574944,0.6161675005140155,0.6155442567336029
EOS-3-18140,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccn1,MEDKUVMBZRIVBT-UHFFFAOYSA-N,3,1,0.536,75,486,436.838,3.353,5,0.417,0.66,1.0,0.46896203138921255,0.47661229525049686,0.5985539030909465,0.5857634843396614,0.5324729285175793
EOS-3-18141,Cn1nc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,SGOSESWKTIHVEZ-UHFFFAOYSA-N,3,1,0.303,99,899,436.443,1.839,6,0.406,0.65,1.0,0.06878383935302584,0.06340381056815846,0.03170618874648756,0.04116407374408882,0.05126447810294017
EOS-3-18142,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nc(C)n5)n34)c(F)c2)cn1,AIPIVWZFDMVYPQ-UHFFFAOYSA-N,3,1,0.478,7,758,442.458,3.682,5,0.406,0.7,1.0,0.6644164210814886,0.6791429648413405,0.35051572887396343,0.2541977931601672,0.48706822698924
EOS-3-18143,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cn5)n34)cn2)cc1,RKXLVLLHAOCHDK-UHFFFAOYSA-N,3,1,0.311,10,673,452.428,4.379,6,0.369,0.76,0.989,0.02181139058323624,0.15955897471043795,0.8226389555205263,0.8459838256459461,0.46249828661503667
EOS-3-18144,Fc1cc(C(F)F)ccc1-c1nnc2cncc(Cc3cc(-c4cccnn4)ncn3)n12,XMCAWNSVYWZESB-UHFFFAOYSA-N,3,1,0.315,85,81,434.385,3.706,5,0.416,0.65,1.0,0.42495373860599,0.5538516893975739,0.822647522445343,0.8120074018230417,0.6533650880679871
EOS-3-18145,Cc1cncc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)n1,USPNTFHOCLGMJT-UHFFFAOYSA-N,3,1,0.327,33,647,464.493,2.225,6,0.401,0.62,1.0,0.0687924062778425,0.03438763621410459,0.021091768898636145,0.024647042697553287,0.037229713522034136
EOS-3-18146,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)ncn2)cn1,TUAGYKSTTGNIEV-UHFFFAOYSA-N,3,1,0.307,32,566,449.453,3.85,6,0.403,0.69,1.0,0.05782674251250771,0.17144129943115619,0.5766054417106435,0.5920259063806456,0.34947484750873825
EOS-3-18147,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)nc(C)n2)nn1,NLPDQZUKVVAONJ-UHFFFAOYSA-N,3,1,0.489,31,851,430.497,3.338,5,0.404,0.7,0.988,0.560473922280858,0.30377458707422383,0.056747309985607564,0.046312795558906175,0.24182715372489888
EOS-3-18148,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)n5)n34)cn2)nc1,RJAMJTBRXXDXKO-UHFFFAOYSA-N,3,1,0.489,65,263,433.382,2.333,5,0.398,0.65,1.0,0.8009303680350901,0.8049910903981906,0.23362003975053114,0.24811527654033308,0.5219141936810362
EOS-3-18149,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4C)n23)n1,PYDNQXYCAGAAES-UHFFFAOYSA-N,3,1,0.489,58,579,424.468,3.277,5,0.409,0.74,0.997,0.5115653485025016,0.4144935234048386,0.10620416695223082,0.07583441847714345,0.27702436433417865
EOS-3-18150,Cn1nc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nn2)nc1CO,WBTAXAMDMPYJFU-UHFFFAOYSA-N,3,1,0.289,98,342,463.465,1.993,6,0.403,0.67,0.032,0.172683503529573,0.11007641696936468,0.025041121239120005,0.03987903502158865,0.08692001918991159
EOS-3-18151,COc1nc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,CBKCUSUEDMFZHR-UHFFFAOYSA-N,3,1,0.29,70,723,449.438,2.499,6,0.416,0.62,1.0,0.2446799396888493,0.19298711534507573,0.1435987937769858,0.12485436227811665,0.17653005277225686
EOS-3-18152,COc1nc(Cl)cnc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,DDDQHKHRTCKCJR-UHFFFAOYSA-N,3,1,0.562,90,255,421.219,3.615,4,0.487,0.69,1.0,0.8989274210129532,0.9406055102460421,0.6312881228154342,0.6831694195051744,0.7884976183949011
EOS-3-18153,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)o1,NWELBSPXOULWRG-UHFFFAOYSA-N,3,1,0.316,39,176,438.426,4.048,6,0.409,0.7,0.893,0.24468850661366595,0.2572904530189843,0.45351586594476045,0.4940973888013159,0.36239805359468164
EOS-3-18154,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)nn1,KIVCKHOXJSZPLZ-UHFFFAOYSA-N,3,1,0.387,70,596,438.386,2.894,6,0.404,0.62,0.985,0.2580357754780344,0.34310533890754574,0.1879154958536084,0.2748526488931533,0.26597731478308545
EOS-3-18155,COc1ccc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)cc1-c1cscn1,ZKQQUBJQGVPVOL-UHFFFAOYSA-N,3,1,0.489,4,662,433.497,3.544,5,0.404,0.7,1.0,0.2739017202385032,0.21176581454321156,0.24072202042354876,0.12486292920293332,0.2128131211020492
EOS-3-18156,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cc2C)n(C)n1,MZUANCCZDCQFLO-UHFFFAOYSA-N,3,1,0.562,43,16,447.449,4.061,5,0.404,0.75,1.0,0.542423411692139,0.49453430196696596,0.5921030087039956,0.5505277225687067,0.5448971112329518
EOS-3-18157,Cn1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)n1,GYDYSHYOYWOJFR-UHFFFAOYSA-N,3,1,0.255,70,957,421.428,2.229,6,0.425,0.68,0.857,0.00036837776711671577,0.003452470701117127,0.08437564251936125,0.0959666917963128,0.04604079569597697
EOS-3-18158,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cn2)nn1,XUGZQBKXKJOPJQ-UHFFFAOYSA-N,3,1,0.27,10,871,421.428,2.229,6,0.425,0.68,0.261,0.009911932012884655,0.01763073127270235,0.06456891234322527,0.08283359605236104,0.04373629292029333
EOS-3-18159,Cn1ncc(-n2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)n2)n1,GDKOWTWNXSOFIV-UHFFFAOYSA-N,3,1,0.297,99,719,439.418,2.369,6,0.384,0.67,0.987,0.01212219861558495,0.12640497566993353,0.20528921938181072,0.2217891165787129,0.14140137756151053
EOS-3-18160,Cc1ccc(-c2cnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)nn1,XROIAOYDJQKCGV-UHFFFAOYSA-N,3,1,0.576,19,73,444.886,3.622,5,0.391,0.67,1.0,0.6002244534301967,0.6693852374751559,0.3208741690082928,0.37869234459598383,0.49229405112740726
EOS-3-18161,c1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)cc2)cn1,HQRWQDGUGODRQS-UHFFFAOYSA-N,3,1,0.319,86,927,420.4,1.681,6,0.414,0.7,1.0,0.01137687615653485,0.03724042217805497,0.04268898636145569,0.06633369885545884,0.03940999588787609
EOS-3-18162,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)nc1,SZICHFXHESTFBQ-UHFFFAOYSA-N,3,1,0.398,54,511,436.357,3.035,5,0.414,0.63,1.0,0.6886608183126585,0.577984716606127,0.7661657871290521,0.7735076416969364,0.7015797409361936
EOS-3-18163,Fc1cncc(-c2cnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)nn2)c1,BIMBULFENITUOH-UHFFFAOYSA-N,3,1,0.444,73,910,436.357,3.035,5,0.414,0.63,0.998,0.7550459187170173,0.6303114933863341,0.6933897608114591,0.7483637173600165,0.7067777225687067
EOS-3-18164,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5cc(-c6ncccn6)ccc5F)n34)n2)o1,OPIDMEVOSXGNPW-UHFFFAOYSA-N,3,1,0.329,76,750,451.425,3.808,6,0.394,0.7,1.0,0.28485881707902133,0.4235144952367898,0.25490884791995067,0.28393358919882117,0.31180393735864576
EOS-3-18165,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)cn2)nc1,DNONWKYXGYYGDU-UHFFFAOYSA-N,3,1,0.527,65,262,444.886,3.622,5,0.391,0.68,1.0,0.797966212048523,0.8861284353368515,0.3426684257418957,0.3590655198409979,0.5964571482420671
EOS-3-18166,COc1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1ccncc1,ROPBKAPENBAKJI-UHFFFAOYSA-N,3,1,0.478,15,83,427.468,3.483,5,0.41,0.71,1.0,0.2257042012199301,0.15583236241518744,0.3954492495373861,0.24508258515523268,0.2555170995819341
EOS-3-18167,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)ccc(F)c4F)n23)ccn1,PRTYJFRQUDBUFO-UHFFFAOYSA-N,3,1,0.494,59,577,437.385,3.583,5,0.391,0.71,1.0,0.7462391200054829,0.5928311973134124,0.8783068329792337,0.8440648344870125,0.7653604961962854
EOS-3-18168,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccnc(-c6cncc(F)c6)c5)n34)nn2)cn1,FLKJNGFCAWMBCV-UHFFFAOYSA-N,3,1,0.281,86,312,439.418,2.369,6,0.411,0.61,1.0,0.02181995750805291,0.10021588650538003,0.2915924199849222,0.3146974162154753,0.18208142005345762
EOS-3-18169,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)cn4)n23)cn1,DZVRHCCNCRPSQR-UHFFFAOYSA-N,3,1,0.544,4,205,429.871,4.184,5,0.387,0.77,1.0,0.5634637790418752,0.7316496470426975,0.6550356384072373,0.6161760674388321,0.6415812829826606
EOS-3-18170,N#Cc1ccncc1COc1cncc2nnc(-c3ccc(-c4ccccn4)c(F)c3)n12,MCKWRECJQLRMNJ-UHFFFAOYSA-N,3,1,0.489,97,214,423.411,3.838,5,0.423,0.73,1.0,0.9428072099239257,0.8725155918031663,0.8497447056404633,0.822236310054143,0.8718259543554245
EOS-3-18171,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nn2)n(C)n1,NIYILBDXASGAHQ-UHFFFAOYSA-N,3,1,0.301,98,890,449.482,2.753,6,0.403,0.63,1.0,0.07080563360975944,0.05160715509560688,0.09595812487149613,0.08628606675347818,0.07616424508258515
EOS-3-18172,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cc(-c2cncs2)n1,QRJSXTKJKLCABU-UHFFFAOYSA-N,3,1,0.473,7,205,445.468,2.086,5,0.415,0.64,1.0,0.37347508738263313,0.24252107463504902,0.0442053320540059,0.01853025837845247,0.16968293811253513
EOS-3-18173,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc[nH]n5)ccc4F)n23)cc1F,UDXYQSHLJHVTMJ-UHFFFAOYSA-N,3,1,0.463,43,521,461.432,3.398,5,0.401,0.73,1.0,0.7951990953327394,0.5218370913576863,0.7776026317593037,0.6886779521622918,0.6958291926530052
EOS-3-18174,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(F)c1,YAMKNECVKSINEM-UHFFFAOYSA-N,3,1,0.547,37,79,434.41,2.882,5,0.405,0.66,1.0,0.6401720238503187,0.5680128161195257,0.6079004180659311,0.5920344733054622,0.6020299328353095
EOS-3-18175,COc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnn(-c4ncccc4C)c3)n12,ZFIJXKPQYCMTPL-UHFFFAOYSA-N,3,1,0.276,52,295,467.493,2.643,6,0.404,0.69,0.961,0.06880097320265917,0.08470118566239462,0.019369817010485915,0.01497498457953533,0.04696174011376876
EOS-3-18176,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1,QTHSGZSRSYGAJC-UHFFFAOYSA-N,3,1,0.298,30,737,448.465,4.455,6,0.396,0.75,1.0,0.1591134946199712,0.29394832430950585,0.6137944623397985,0.6712271263107394,0.4345208518950037
EOS-3-18177,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)nn2)cc1,XEDFBAIVYPDAJC-UHFFFAOYSA-N,3,1,0.266,10,952,419.412,2.286,6,0.423,0.73,0.516,0.012130765540401618,0.011231238434651498,0.04421389897882256,0.09003837982317867,0.03940357069426358
EOS-3-18178,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccc(F)cn6)n5)n34)cc2)nn1,GZFDAFPOVMNBRA-UHFFFAOYSA-N,3,1,0.313,38,136,462.452,3.61,6,0.387,0.68,0.999,0.32135391679802616,0.37671338496333356,0.28062675621958744,0.30540230278939073,0.3210240901925845
EOS-3-18179,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cn2)c1,BOFJBRXJBBUHER-UHFFFAOYSA-N,3,1,0.3,70,944,430.435,3.162,6,0.415,0.64,0.999,0.1647076965252553,0.11933726269618258,0.2916009869097389,0.2958244808443561,0.21786760674388322
EOS-3-18180,COc1ncccc1-c1cc(F)cc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,MRLUVGVCLMMGHN-UHFFFAOYSA-N,3,1,0.511,35,846,443.442,3.413,5,0.377,0.7,1.0,0.6519344116236035,0.635314577479268,0.47087245562332947,0.3817678706051676,0.5349723288328422
EOS-3-18181,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)cc4)n23)nc1,URNBDFPZVKWOTD-UHFFFAOYSA-N,3,1,0.321,39,972,466.896,3.759,6,0.386,0.72,1.0,0.17833767390857377,0.26792200671646904,0.23699540812829828,0.35907408676581454,0.26058229387978893
EOS-3-18182,Cc1ncc(C)c(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1,JERSOQIDZOLTSX-UHFFFAOYSA-N,3,1,0.427,46,128,444.886,3.888,5,0.402,0.71,0.997,0.4840483859913645,0.6068723870879309,0.31729319443492565,0.2958330477691728,0.4260117538208485
EOS-3-18183,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1F,MVFQKEBKFYDMHG-UHFFFAOYSA-N,3,1,0.495,37,639,434.41,2.882,5,0.379,0.7,1.0,0.6825011993694743,0.6448238640257693,0.5054228634089507,0.507324720718251,0.5850181618806113
EOS-3-18184,Cc1ncc(-c2ncccc2-c2nnc3cncc(-c4cc(-c5cnccn5)ncn4)n23)cn1,FGCLXDNZEIKQGO-UHFFFAOYSA-N,3,1,0.275,86,513,445.45,2.866,6,0.399,0.63,0.779,0.0788242752381605,0.04806901514632308,0.14984408196833665,0.13780755260091837,0.10363623123843466
EOS-3-18185,Fc1cnc(Cl)nc1COc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,KCMPERKRWJWGCJ-UHFFFAOYSA-N,3,1,0.451,7,242,435.81,2.805,5,0.384,0.71,1.0,0.7753580974573367,0.7926461517373724,0.2691899115893359,0.2927660886848057,0.5324900623672126
EOS-3-18186,Cn1nccc1-c1cc(F)nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,YXPGWSODNQPJBE-UHFFFAOYSA-N,3,1,0.561,4,32,435.85,3.958,5,0.389,0.74,1.0,0.7639897882256186,0.854961962853814,0.7373466520457816,0.7404735796038654,0.7741929956822698
EOS-3-18187,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nn2C)nc1,OWBMWXWKOBNMOZ-UHFFFAOYSA-N,3,1,0.528,19,54,429.459,3.656,5,0.41,0.75,1.0,0.4316359399629909,0.2987629360564732,0.4167466246316222,0.4033479542183538,0.38762336371736
EOS-3-18188,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccccn5)n4)n23)c(F)c1,SIFGQQCGOMSRIH-UHFFFAOYSA-N,3,1,0.506,59,446,435.369,3.64,5,0.416,0.67,1.0,0.8415461585909122,0.9138767048180385,0.6609725173051881,0.7053234870810774,0.7804297169488041
EOS-3-18189,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)n1C,DNPKJEGMRNNYFQ-UHFFFAOYSA-N,3,1,0.612,16,32,431.887,4.128,5,0.416,0.72,1.0,0.8486138715646632,0.8204029881433761,0.4708810225481461,0.4758841066410801,0.6539454972243164
EOS-3-18190,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)c(F)c4)n23)ccn1,JLISFDWEKDRGHP-UHFFFAOYSA-N,3,1,0.575,72,386,431.406,3.543,5,0.38,0.73,1.0,0.9447005003084092,0.9215098348296895,0.7587296963881845,0.7431207593722158,0.8420151977246249
EOS-3-18192,c1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ncc[nH]6)ncn5)n34)nc2)nc1,WFFVCYMRLPYSPJ-UHFFFAOYSA-N,3,1,0.279,70,687,418.424,3.095,6,0.463,0.75,0.744,0.05783530943732438,0.04807758207113974,0.22263724213556302,0.23949695017476527,0.1420117709546981
EOS-3-18193,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nn1,PROMLYBQJBSUJS-UHFFFAOYSA-N,3,1,0.581,19,785,444.886,3.622,5,0.391,0.66,1.0,0.5918545678843122,0.6741741484476732,0.3806456034541841,0.43543108765677474,0.520526351860736
EOS-3-18194,Fc1cc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccn5)n34)nc2)ccn1,AUXWLKYEAIWQJM-UHFFFAOYSA-N,3,1,0.287,76,935,448.425,3.301,6,0.374,0.7,0.995,0.20641148653279418,0.2780481118497704,0.29160955383455556,0.3787009115208005,0.28869251593448014
EOS-3-18195,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c(F)c1,MTBMVPXIUNTMIH-UHFFFAOYSA-N,3,1,0.563,26,626,433.422,3.487,5,0.381,0.71,1.0,0.8686433417860325,0.7269292714687136,0.7635957096840518,0.7112432321293949,0.7676028887670482
EOS-3-18196,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)nn5)cn4)n23)cc1,CDCGIWYAZUKHFG-UHFFFAOYSA-N,3,1,0.556,73,212,452.265,3.319,5,0.396,0.65,1.0,0.7462476869302995,0.9251422109519567,0.36170413268453155,0.47880542800356385,0.6279748646425878
EOS-3-18197,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1Cl,BNHKIOPDIUCIFI-UHFFFAOYSA-N,3,1,0.565,35,353,449.877,4.001,5,0.389,0.69,1.0,0.8574035364265643,0.8612072510451648,0.7040041806593106,0.7083219107669111,0.7827342197244876
EOS-3-18198,COc1cc(-c2ncnn2C)ccc1-c1nnc2cncc(-c3ncc(Cl)cn3)n12,UINJGKGIBVLTFE-UHFFFAOYSA-N,3,1,0.383,50,261,419.836,2.706,5,0.437,0.72,1.0,0.26348433966143514,0.2939568912343225,0.16851997806867247,0.17092728394215612,0.22422212322664659
EOS-3-18199,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)cc1,CQXPYBKQWFEDQF-UHFFFAOYSA-N,3,1,0.548,11,384,430.418,4.148,5,0.377,0.78,1.0,0.8686519087108492,0.8086320334452745,0.8226560893701597,0.8282074566513604,0.8320368720444109
EOS-3-18200,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)cn1,VJZINBZRZJLHHT-UHFFFAOYSA-N,3,1,0.59,35,111,430.418,4.148,5,0.377,0.78,1.0,0.934651497498458,0.9457028305119595,0.84975327256528,0.8404067575902954,0.8926285895414983
EOS-3-18201,OCc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)nn1,QVDIYCVXAVGYMR-UHFFFAOYSA-N,3,1,0.494,24,912,430.403,2.249,5,0.432,0.66,0.992,0.6062298677266809,0.5082242478240011,0.35438797889109724,0.32071139743677607,0.44738837296963885
EOS-3-18202,Cc1nn(C)cc1-c1ccc(F)c(COc2cncc3nnc(-c4ccncc4F)n23)c1,IGPWKTKSPCVVIF-UHFFFAOYSA-N,3,1,0.471,16,772,433.422,3.752,5,0.42,0.68,1.0,0.5014992118429169,0.49927181139058324,0.7729250908094031,0.705332054005894,0.6197570420121994
EOS-3-18203,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3cc(Cl)c(F)cc3CO)n12,RRSLGUSSTAYUMF-UHFFFAOYSA-N,3,1,0.309,96,697,463.86,3.604,5,0.421,0.68,0.998,0.580049345486944,0.592839764238229,0.8588256459461312,0.8222448769789596,0.713489908162566
EOS-3-18204,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)cc(F)c4C)n23)cn1,PMYGSAFUXVSBJW-UHFFFAOYSA-N,3,1,0.478,36,258,431.435,2.712,5,0.418,0.69,1.0,0.4915101775066822,0.45006339524364336,0.2916181207593722,0.22769172777739702,0.36522085532177373
EOS-3-18205,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)nn1,QQJRWMPNHRSLBA-UHFFFAOYSA-N,3,1,0.317,98,608,437.402,2.425,6,0.409,0.62,1.0,0.021828524432869575,0.14418134466451923,0.14649441436501953,0.1872986772668083,0.12495074018230415
EOS-3-18206,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)cc1,BNYAKKNBQSJTNZ-UHFFFAOYSA-N,3,1,0.449,46,395,466.383,3.516,5,0.371,0.74,0.999,0.822082105407443,0.6550099376327874,0.902131450894387,0.805496538962374,0.7961800082242478
EOS-3-18207,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nc5)cn4)n23)cc1F,POEHRDOUWZGNKE-UHFFFAOYSA-N,3,1,0.472,16,969,460.404,2.599,5,0.382,0.69,1.0,0.682509766294291,0.3859913645397848,0.5533719416078404,0.47589267356589676,0.5244414365019533
EOS-3-18208,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)cc1,KFBZTJNWXCLRJD-UHFFFAOYSA-N,3,1,0.414,66,364,423.839,2.666,5,0.495,0.54,1.0,0.21200568843807827,0.20695120279624427,0.6228411349461997,0.5701802480981427,0.4029945685696662
EOS-3-18209,Cc1cnc(COc2cncc3nnc(-c4cc(F)ccc4F)n23)c(-c2ncnn2C)n1,UJOGJEUCMIGDCI-UHFFFAOYSA-N,3,1,0.462,36,610,435.398,2.542,5,0.414,0.64,0.995,0.39604036734973613,0.43710163799602497,0.1498526488931533,0.2044068261256939,0.29685037009115206
EOS-3-18210,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2)ccn1,FFKMFBGAUGGXHA-UHFFFAOYSA-N,3,1,0.407,51,196,434.822,3.41,5,0.387,0.67,1.0,0.6062384346514975,0.6936981701048591,0.5126019464053183,0.557304160098691,0.5924606778150915
EOS-3-18211,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(F)c5)n4)n23)cc1,XSTISNIWGNSAQX-UHFFFAOYSA-N,3,1,0.469,1,744,473.443,3.465,5,0.376,0.76,1.0,0.6672435062709889,0.41911966280583923,0.655044205332054,0.5309180316633542,0.568081351518059
EOS-3-18212,Fc1cc(-c2ccnc(F)c2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,GQBBZRIODFMLJO-UHFFFAOYSA-N,3,1,0.633,35,352,430.418,4.148,5,0.377,0.76,1.0,0.767048180385169,0.8007418956891235,0.8731838119388664,0.8597080392022479,0.8251704818038517
EOS-3-18214,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1,NPKQDFQELRZGFQ-UHFFFAOYSA-N,3,1,0.306,32,154,436.414,3.235,6,0.418,0.66,1.0,0.284867384003838,0.3379223493934617,0.42040470152833936,0.4354396545815914,0.36965852237680763
EOS-3-18215,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)c(F)c3)n12,SGNUTDNXBAFIIW-UHFFFAOYSA-N,3,1,0.571,35,161,436.447,4.21,5,0.397,0.76,1.0,0.8827445000342677,0.8807141388527174,0.7350250154204647,0.7244020286477966,0.8057214207388116
EOS-3-18216,Cc1noc(-c2ncc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)cn2)n1,RTRKTGCVONQCTI-UHFFFAOYSA-N,3,1,0.548,7,48,455.36,2.933,5,0.39,0.68,1.0,0.6886693852374751,0.5308494962648208,0.5630011651017751,0.36578198889726543,0.5370755088753342
EOS-3-18217,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncnn6)cn5)n34)cn2)n(C)n1,HOEWXUOPUHWFDZ-UHFFFAOYSA-N,3,1,0.309,99,14,448.454,2.204,6,0.394,0.64,1.0,0.07081420053457611,0.04808614899595641,0.07950106229867726,0.07381262422040984,0.06805350901240491
EOS-3-18218,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5Cl)n34)c2)cn1,FUTLCMQSJBVYMF-UHFFFAOYSA-N,3,1,0.558,84,884,449.877,4.001,5,0.389,0.75,1.0,0.5450191899115894,0.572621821670893,0.8094373243780413,0.7990285107257898,0.6815267116715784
EOS-3-18219,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(Cl)cc5F)cn4)n23)cn1,ZYVRHSULIBTLOC-UHFFFAOYSA-N,3,1,0.483,7,85,448.849,3.718,5,0.4,0.7,1.0,0.7341597560139812,0.8315656911794942,0.49836371736001644,0.5041206908368172,0.6420524638475773
EOS-3-18220,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,PPJWLIDWGSJWTO-UHFFFAOYSA-N,3,1,0.291,98,727,442.83,3.342,6,0.435,0.64,1.0,0.2367726680830649,0.3670156260708656,0.3505242957987801,0.41631827839078883,0.3426577170858749
EOS-3-18221,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(F)c(-c5ccccc5)cn4)n23)cc1F,BIPZILKSXWCYIQ-UHFFFAOYSA-N,3,1,0.31,25,791,467.443,3.989,6,0.387,0.74,1.0,0.2035929682681105,0.32378692344595983,0.569837571105476,0.6800424919470907,0.44431498869165925
EOS-3-18222,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)[nH]4)n23)cn1,IRGYOWWZLVQNEN-UHFFFAOYSA-N,3,1,0.345,10,407,438.43,3.178,6,0.449,0.62,0.969,0.1726920704543897,0.2884569255020218,0.3319169350969776,0.38818449729285176,0.2953126070865602
EOS-3-18223,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)nn1,ZFZBTDZCQOUADH-UHFFFAOYSA-N,3,1,0.311,38,42,445.49,4.019,6,0.404,0.68,1.0,0.08527516962511136,0.04809471592077308,0.3617126996093482,0.30842642724967445,0.20087725310122678
EOS-3-18224,c1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nccnn6)cn5)n34)nc2)ccn1,UDNXPUNCPYHUON-UHFFFAOYSA-N,3,1,0.269,86,957,431.423,2.557,6,0.41,0.66,0.959,0.08306490302241107,0.09092934000411212,0.14986121581797,0.18730724419162498,0.12779067575902953
EOS-3-18225,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5ccc(F)cc5)n34)cn2)no1,RHJPYFRPXOUHMF-UHFFFAOYSA-N,3,1,0.324,10,543,452.413,3.203,6,0.392,0.67,0.973,0.24218696456719896,0.39072030703858546,0.16852854499348913,0.23950551709958193,0.2602353334247139
EOS-3-18226,Cc1cccc(COc2nccnc2-c2cncc3nnc(-c4ccc(CO)nc4)n23)n1,QZTBCUQJPUGCFR-UHFFFAOYSA-N,3,1,0.36,82,464,426.44,2.418,5,0.436,0.68,0.999,0.2821688026865876,0.22740901925844698,0.17174970872455622,0.11081317250359811,0.19803517579329724
EOS-3-18227,Cc1nc(CCOc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)ccc1F,YCGAERWECSACOD-UHFFFAOYSA-N,3,1,0.489,15,563,429.459,3.656,5,0.41,0.72,1.0,0.6371564663148516,0.5082328147488178,0.5018590226852169,0.4227177712288397,0.5174915187444316
EOS-3-18228,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ncnn6C)c5)n34)cn2)nn1,QHTONCADKBAUSY-UHFFFAOYSA-N,3,1,0.276,99,286,436.443,1.839,6,0.406,0.61,0.981,0.05784387636214105,0.031209307107120828,0.06872387087930916,0.0648002193132753,0.05564431841546158
EOS-3-18229,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncs5)ncn4)n23)nc1,AWOVXPRLZCGSMJ-UHFFFAOYSA-N,3,1,0.365,33,53,472.494,1.966,6,0.373,0.74,0.964,0.22571276814474675,0.12279830032211637,0.012876087999451717,0.013929819751901858,0.09382924405455419
EOS-3-18230,Fc1ncncc1-n1cc(-c2cncc3nnc(-c4cncnc4-c4ccncc4)n23)cn1,FQSTVDOOWQPIDV-UHFFFAOYSA-N,3,1,0.313,94,780,437.402,2.425,6,0.382,0.66,0.817,0.007410389966417655,0.08794805016791173,0.29162668768418887,0.317644438352409,0.1761573915427318
EOS-3-18231,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)nn5)c4)n23)nn1,HUXCPPHTWFCCBH-UHFFFAOYSA-N,3,1,0.489,58,602,433.382,2.333,5,0.398,0.63,0.987,0.7158265369063121,0.6890634637790419,0.2806353231444041,0.2989085737783565,0.49610847440202865
EOS-3-18232,Cc1nc(COc2cncc3nnc(-c4cc(-c5cc(Cl)ccn5)ccn4)n23)cs1,BEJCZIZNOXIARE-UHFFFAOYSA-N,3,1,0.471,46,267,435.9,4.246,5,0.407,0.77,1.0,0.42496230553080666,0.4457370982112261,0.3354465081214447,0.37217291481049963,0.3945797066684943
EOS-3-18233,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2)cs1,FESGAYKLRFVEQR-UHFFFAOYSA-N,3,1,0.477,4,22,435.9,4.246,5,0.407,0.77,1.0,0.5918631348091289,0.6988982934685766,0.38065417037900073,0.37870947844561714,0.5125312692755809
EOS-3-18234,Fc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1ccncn1,CJPLETAPMMGIRL-UHFFFAOYSA-N,3,1,0.571,4,71,433.834,4.015,5,0.413,0.68,1.0,0.7922435062709889,0.8243095058597766,0.7946508121444726,0.8143119045987253,0.8063789322184908
EOS-3-18235,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnccn5)n4)n23)cc1,CAGSBHWUMNUODB-UHFFFAOYSA-N,3,1,0.577,7,540,416.832,3.271,5,0.43,0.74,1.0,0.7126482077993284,0.9177489548351724,0.4167551915564389,0.4788139949283805,0.6314915872798301
EOS-3-18236,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)nc2)nc1,ZHUZQOPTNQGETC-UHFFFAOYSA-N,3,1,0.306,70,952,419.412,2.286,6,0.423,0.71,1.0,0.004626139401000617,0.021374477417586184,0.06066239462682475,0.0920002056061956,0.04466580426290179
EOS-3-18238,CC(C)(O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(F)c5)ns4)n23)cn1,OFTUIMZQFLGZCR-UHFFFAOYSA-N,3,1,0.371,82,155,451.462,3.877,5,0.442,0.7,1.0,0.41783462408333905,0.5496453293125899,0.6716212048523063,0.5732643410321431,0.5530913748200945
EOS-3-18239,COc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)cn1,SBKNIMOFLYCKQB-UHFFFAOYSA-N,3,1,0.438,7,535,431.391,2.16,5,0.395,0.65,1.0,0.5860119251593447,0.6117212665341649,0.24073058734836544,0.15487286683572066,0.39833416146939893
EOS-3-18240,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cn4)n23)nc1,ZVRCPSHNMXINBJ-UHFFFAOYSA-N,3,1,0.32,70,935,450.441,3.245,6,0.402,0.65,1.0,0.17834624083339046,0.257299019943801,0.24423445959838255,0.2839421561236379,0.24095546912480298
EOS-3-18241,Cc1cnc(CCOc2cncc3nnc(-c4cc(-c5cncc(F)c5)nc(C)n4)n23)cn1,HKVKGTWUIKLNBX-UHFFFAOYSA-N,3,1,0.379,31,851,443.446,2.811,5,0.39,0.67,0.999,0.5502278802001234,0.45007196216846,0.1465029812898362,0.12892365156603386,0.31893161880611337
EOS-3-18242,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cncc(F)c5)nn4)n23)cc1,BKFAGEWHIXVQSU-UHFFFAOYSA-N,3,1,0.291,39,972,454.404,3.169,6,0.399,0.65,1.0,0.01712528270851895,0.11934582962099925,0.4095504077856213,0.5373260914262217,0.2708369028853403
EOS-3-18243,Cc1noc(-c2cc(COc3cncc4nnc(-c5ncccc5F)n34)c(F)cn2)n1,RRRLVTGPICHCLV-UHFFFAOYSA-N,3,1,0.387,46,915,422.355,2.797,5,0.421,0.73,1.0,0.6034284833116305,0.48974539099444864,0.2770886162703036,0.29277465560962235,0.4157592865465013
EOS-3-18244,Fc1ccc(F)c(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)c1,PEWPBDGMYKJQJU-UHFFFAOYSA-N,3,1,0.272,39,972,455.392,2.564,6,0.394,0.64,0.938,0.004634706325817284,0.0879566170927284,0.3543965458159139,0.457473785210061,0.22611541361113013
EOS-3-18245,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)nn2)n1,DUQALMDYKPLJFJ-UHFFFAOYSA-N,3,1,0.293,99,14,437.427,2.402,6,0.404,0.67,1.0,0.10244328695771365,0.0940477006373792,0.04597011856623946,0.03871393324652183,0.07029375985196354
EOS-3-18246,CCc1nc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc(C(F)(F)F)n1,GJGCNDFOVUDVNK-UHFFFAOYSA-N,3,1,0.484,63,536,483.454,3.634,5,0.428,0.86,0.908,0.6144969501747652,0.5038294153930505,0.4535244328695771,0.3301692824343774,0.47550502021794255
EOS-3-18247,Fc1cccc(-c2ncccc2-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)c1,RCEQYXMTWMXIFW-UHFFFAOYSA-N,3,1,0.394,14,81,417.835,4.027,5,0.411,0.84,0.999,0.382658830786101,0.42352306216160646,0.6467599890343362,0.7353334247138648,0.5470688266739772
EOS-3-18249,Cn1ccnc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(F)c1,HYTYCSVJBKEXPH-UHFFFAOYSA-N,3,1,0.383,56,425,454.429,3.303,6,0.421,0.68,1.0,0.5577582071139744,0.540024672743472,0.34267699266671237,0.2808666301144541,0.4303316256596532
EOS-3-18250,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c(F)cn2)nn1,CPWHEKYEEAUZPU-UHFFFAOYSA-N,3,1,0.378,33,760,458.417,1.559,5,0.395,0.62,0.999,0.527182852443287,0.25730758686861765,0.1062127338770475,0.0738211911452265,0.24113109108354464
EOS-3-18251,OCc1cc(-c2ncccc2F)ccc1-c1nnc2cncc(OCc3ccc(F)nc3)n12,VUNWANLEKHWPPQ-UHFFFAOYSA-N,3,1,0.467,97,992,446.417,3.598,5,0.398,0.71,1.0,0.8369971215132616,0.7037129052155439,0.8588342128709479,0.8182441230895757,0.8044470906723322
EOS-3-18252,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)c1,LWESRMBDDFCNOH-UHFFFAOYSA-N,3,1,0.593,27,51,451.412,4.185,5,0.399,0.72,1.0,0.6457662257556027,0.5779932835309437,0.9288431224727571,0.8074669316702077,0.7400173908573777
EOS-3-18253,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cn4)n23)n1,UEQCRMYBRGOCNY-UHFFFAOYSA-N,3,1,0.262,76,652,421.428,2.434,6,0.46,0.68,0.724,0.08307346994722774,0.05161572202042355,0.08438420944417792,0.08284216297717771,0.07547889109725173
EOS-3-18254,CCC#Cc1ncc(COc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)cn1,TWGRNEOTNXDQDT-UHFFFAOYSA-N,3,1,0.506,63,536,413.441,2.281,4,0.5,0.77,1.0,0.5745236789801933,0.247626961825783,0.229936262079364,0.08118017956274416,0.28331677061202115
EOS-3-18255,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ncn2)c1,LQXNLCVGMKPYNT-UHFFFAOYSA-N,3,1,0.429,44,488,435.369,3.64,5,0.416,0.68,0.919,0.712656774724145,0.655018504557604,0.8558786238091974,0.8597166061270646,0.7708176273045028
EOS-3-18256,Cn1cnnc1-c1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,IJTWJVQVXCTIHE-UHFFFAOYSA-N,3,1,0.647,84,360,452.4,3.021,5,0.391,0.68,1.0,0.8664330751833322,0.7542834624083339,0.5985624700157631,0.6248372284284833,0.7110290590089781
EOS-3-18257,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)s1,WMZREYPSKFJUFN-UHFFFAOYSA-N,3,1,0.6,16,32,435.9,4.246,5,0.407,0.74,1.0,0.8090089781372078,0.8549705297786306,0.39154273182098553,0.4511085600712768,0.6266576999520252
EOS-3-18258,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccsc5)c4)n23)cc1,YPVCYWNNHJFBHK-UHFFFAOYSA-N,3,1,0.305,39,972,440.467,4.302,6,0.406,0.72,1.0,0.033565211431704475,0.14055753546706873,0.4569083681721609,0.5505362894935234,0.2953918511411144
EOS-3-18259,Cn1c(F)cnc1-c1cccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c1,UMLNCTBOXOUGBL-UHFFFAOYSA-N,3,1,0.684,91,660,432.434,4.092,5,0.404,0.72,1.0,0.7753666643821534,0.6890720307038586,0.752193132753067,0.7379377698581318,0.7386423994243028
EOS-3-18260,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)n2)cc1,ZTKHXSCBYMQTLZ-UHFFFAOYSA-N,3,1,0.284,10,952,418.424,2.891,6,0.429,0.74,0.99,0.008532657117401138,0.016062984031252142,0.12029675827564937,0.19010862860667535,0.0837502570077445
EOS-3-18261,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,QPUKOHRXXSFOGX-UHFFFAOYSA-N,3,1,0.333,30,945,430.475,4.316,6,0.414,0.75,1.0,0.09264272496744569,0.07771914193681036,0.4848451099993146,0.48513638544308135,0.285085840586663
EOS-3-18262,Cn1c(F)nnc1-c1cc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)nc(CF)n1,IUZPBLYHOFYROT-UHFFFAOYSA-N,3,1,0.352,50,974,449.385,1.146,5,0.416,0.62,0.631,0.2009286546501268,0.1929956822698924,0.015343362346652047,0.012918922623535056,0.10554665547255157
EOS-3-18263,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)n1,PDRTZBHQJRHRCP-UHFFFAOYSA-N,3,1,0.314,76,507,451.429,2.64,6,0.398,0.64,0.774,0.1426221643478857,0.2627218833527517,0.1315194297854842,0.22448769789596326,0.1903377938455212
EOS-3-18264,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cn1,HTDIUEMSKXNTOI-UHFFFAOYSA-N,3,1,0.302,98,356,451.429,2.64,6,0.398,0.64,0.965,0.14263073127270234,0.21671749708724555,0.14986978274278664,0.23063874991433075,0.18496419025426633
EOS-3-18265,COc1ccccc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cn1,YETDXNMRBLIAEV-UHFFFAOYSA-N,3,1,0.398,46,267,445.87,3.884,5,0.388,0.72,1.0,0.6457747926804195,0.64988691659242,0.4777002947022137,0.444760468782126,0.5545306181892948
EOS-3-18266,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nn1,APBIHHPMAJPJPN-UHFFFAOYSA-N,3,1,0.312,94,342,432.451,3.106,6,0.418,0.66,0.596,0.10986224384894798,0.03439620313892125,0.12861524227263382,0.16822870262490577,0.1102755979713522
EOS-3-18267,Cn1cnc(-c2cccc(-c3nnc4cncc(Oc5c(F)cccc5Cl)n34)c2)cc1=O,JZNGBROMBKKHDF-UHFFFAOYSA-N,3,1,0.455,13,145,448.845,4.137,5,0.41,0.73,1.0,0.5634723459666918,0.644832430950586,0.7865208004934549,0.7967925433486396,0.697904530189843
EOS-3-18268,COc1ccccc1COc1cncc2nnc(-c3cnccc3-c3nccc(F)n3)n12,NKTVMIVZCWTNBC-UHFFFAOYSA-N,3,1,0.467,97,183,429.415,3.37,5,0.379,0.75,1.0,0.7462562538551162,0.583193406894661,0.5262319237886368,0.4194709067233226,0.5687881228154341
EOS-3-18269,Cn1c(-c2cccnc2F)cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1=O,ODHZKSMGAWMFLA-UHFFFAOYSA-N,3,1,0.541,35,393,443.442,2.708,5,0.372,0.71,0.98,0.45509218011102737,0.42794359536700705,0.49482557741073263,0.45432972380234393,0.4580477691727778
EOS-3-18270,COc1cc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)ccc1-c1ccncc1,HZWMCCAGQUSYAZ-UHFFFAOYSA-N,3,1,0.506,4,224,425.452,3.539,5,0.407,0.71,1.0,0.31665067507367556,0.1842659858817079,0.4427044068261257,0.3054108697142074,0.31225798437392915
EOS-3-18271,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)nc2)n1,IBTXCOVFEJGOAF-UHFFFAOYSA-N,3,1,0.263,99,813,434.427,1.896,6,0.404,0.64,0.985,0.047846275101089714,0.04082139675142211,0.05675587691042423,0.06480878623809197,0.05255808375025701
EOS-3-18272,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5ccn(C)n5)cn4)n23)cn1,DXZGKVXEZFPCTR-UHFFFAOYSA-N,3,1,0.275,86,812,446.478,3.414,6,0.405,0.65,1.0,0.06311253512439174,0.07068569666232609,0.1717582756493729,0.14472962785278595,0.11257153382221918
EOS-3-18273,CCn1cc(-c2nc(C)ncc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cn1,UVXVTQXQVKQOHY-UHFFFAOYSA-N,3,1,0.268,98,369,461.493,3.292,6,0.38,0.71,1.0,0.06486018778699199,0.02138304434240285,0.14071174011376877,0.12893221849085051,0.08897179768350352
EOS-3-18274,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)c1,IOUWLGRUHXBKCT-UHFFFAOYSA-N,3,1,0.516,44,130,431.406,3.543,5,0.38,0.72,1.0,0.7811836063326708,0.6791515317661572,0.6988982934685766,0.7083304776917277,0.716890977314783
EOS-3-18275,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnn(C)n5)c(F)c4)n23)cn1,PCTYDGBOLZMWHU-UHFFFAOYSA-N,3,1,0.542,36,258,417.408,2.403,5,0.429,0.78,1.0,0.5663422657802755,0.5680213830443424,0.27291652388458637,0.24235830306353232,0.4124096189431841
EOS-3-18276,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)nc5)n34)cn2)n1C,CQLPGDYADALQRT-UHFFFAOYSA-N,3,1,0.294,86,812,446.478,3.414,6,0.405,0.66,1.0,0.1783548077582071,0.07069426358714276,0.17520217942567337,0.14010348845178536,0.14108868480570214
EOS-3-18277,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ncc(-c6cncnc6)cn5)n34)cn2)n1C,HDTBLDJOGUFUAZ-UHFFFAOYSA-N,3,1,0.253,94,165,446.478,3.414,6,0.405,0.66,0.998,0.07656260708656021,0.02841648961688712,0.2843276677403879,0.2395140840243986,0.15720521211705846
EOS-3-18278,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cn4)n23)nc1,UYPBJYUEMFNWSB-UHFFFAOYSA-N,3,1,0.278,50,155,431.362,3.287,5,0.431,0.69,0.996,0.2634929065862518,0.12641354259475018,0.6635083270509218,0.5978428483311631,0.4128144061407717
EOS-3-18279,COc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3ccc(C)nn3)n12,UPKMDARINCCVRT-UHFFFAOYSA-N,3,1,0.455,4,710,431.481,3.601,5,0.402,0.72,1.0,0.28487595092865464,0.19300424919470907,0.1557381262422041,0.09200877253101226,0.18140677472414501
EOS-3-18280,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)nc1,XTRGITLHMOKBSR-UHFFFAOYSA-N,3,1,0.394,54,511,432.394,3.204,5,0.417,0.65,1.0,0.6519429785484202,0.4766208621753136,0.6407888424371188,0.6007898704680967,0.5925356384072373
EOS-3-18281,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccnc5Cl)n4)n23)cc1,UFYRWRJSUGCLRY-UHFFFAOYSA-N,3,1,0.307,8,890,456.861,2.278,6,0.366,0.69,1.0,0.03104653553560414,0.1441899115893359,0.049362620793639914,0.10420807346994723,0.0822017853471318
EOS-3-18282,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1,WMTAEVJHSNNSMS-UHFFFAOYSA-N,3,1,0.263,70,957,460.505,3.897,6,0.381,0.78,0.992,0.07456651360427662,0.031217874031937497,0.09364505517099582,0.10628126927558083,0.07642767802069769
EOS-3-18283,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-n5ccnc5)n34)cc2)nc1,IAHHVDPOOOVGKK-UHFFFAOYSA-N,3,1,0.466,40,8,447.462,3.408,6,0.382,0.72,1.0,0.4296055787814406,0.23709821122609828,0.32806181892947706,0.27183709135768624,0.31665067507367556
EOS-3-18284,Clc1nccnc1CCOc1cncc2nnc(-c3cccc(-c4ccncn4)c3)n12,GJQJAKYCWGXCOI-UHFFFAOYSA-N,3,1,0.479,15,846,430.859,3.313,5,0.404,0.67,1.0,0.7370553766020149,0.7671766842574189,0.2988571722294565,0.3590826536906312,0.5405429716948804
EOS-3-18285,Clc1ccccc1-c1cc(-c2nnc3cncc(OCCc4cncnc4)n23)cnn1,XUCPBTCNUPORRI-UHFFFAOYSA-N,3,1,0.558,37,361,430.859,3.313,5,0.404,0.67,1.0,0.7811921732574875,0.8007504626139401,0.4427129737509424,0.5309265985881708,0.6388955520526352
EOS-3-18286,Cc1ccnc(CCOc2cncc3nnc(-c4cnnc(-c5cccnc5F)c4)n23)n1,LJRZWBNYTYHBQL-UHFFFAOYSA-N,3,1,0.404,87,778,429.419,2.502,5,0.375,0.74,1.0,0.6002330203550134,0.602049208416147,0.15574669316702078,0.14968987732163663,0.37692969981495444
EOS-3-18287,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3cccc(-c4nnn(C)n4)c3)n12,TWDLYSRCHKJEIS-UHFFFAOYSA-N,3,1,0.326,67,745,465.481,2.453,6,0.377,0.7,1.0,0.13449215269686793,0.05162428894524022,0.10905695291618121,0.08461551641422795,0.09494722774312932
EOS-3-18288,Cn1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1-c1ccc(Cl)nc1,GXSZOSJEUVCMRC-UHFFFAOYSA-N,3,1,0.477,95,694,436.838,3.353,5,0.39,0.71,0.999,0.4362106778150915,0.4279521622918237,0.5664879035021588,0.5796809677198272,0.5025829278322254
EOS-3-18289,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)ccc2F)ncn1,NAGUXGGKNTZFBG-UHFFFAOYSA-N,3,1,0.655,88,732,444.445,4.456,5,0.385,0.75,1.0,0.9558889041189774,0.9363391816873415,0.847945651428963,0.8203087519703927,0.8901206223014186
EOS-3-18290,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)n2)n(C)n1,QLKQIVOKYVWLFA-UHFFFAOYSA-N,3,1,0.29,76,387,447.466,2.809,6,0.401,0.65,1.0,0.052609485299157016,0.019249880063052567,0.03433623466520458,0.032151668836954285,0.03458681721609211
EOS-3-18291,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)nc1,QDPPZDLHMIRWAK-UHFFFAOYSA-N,3,1,0.391,36,412,438.373,3.851,5,0.411,0.72,1.0,0.5604824892056748,0.7131879240627784,0.8135408813652252,0.7559625796724008,0.7107934685765198
EOS-3-18292,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ncn2)cc1F,VZCHCEHDNKZFQM-UHFFFAOYSA-N,3,1,0.517,44,130,431.406,3.543,5,0.406,0.69,1.0,0.8090175450620245,0.6498954835172367,0.727203413062847,0.7270320745665136,0.7282871290521554
EOS-3-18293,Fc1cncc(-c2ccc(-c3nnc4cncc(Cc5ccc(Br)cn5)n34)cn2)c1,MELPQCIQCKSHDX-UHFFFAOYSA-N,3,1,0.389,85,81,462.286,4.136,5,0.4,0.72,0.999,0.3756939209101501,0.4371102049208416,0.6580768967171544,0.697159207730793,0.5420100575697347
EOS-3-18294,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2F)nn1C,NLXOJHQUGIWCHD-UHFFFAOYSA-N,3,1,0.727,91,70,463.904,4.309,5,0.373,0.8,1.0,0.72524158727983,0.8243180727845932,0.5054314303337674,0.5603368514837914,0.6538319854704955
EOS-3-18296,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)n2)nc1,FNWCRWDTUCHLLH-UHFFFAOYSA-N,3,1,0.326,76,687,436.41,4.104,6,0.406,0.69,0.999,0.2876345007196217,0.2573161537934343,0.3915512987458022,0.4290230278939072,0.34138124528819136
EOS-3-18297,Clc1ccc(CCOc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nc1,ZTFNRUAAXVNLEY-UHFFFAOYSA-N,3,1,0.516,87,579,430.859,3.313,5,0.404,0.66,0.999,0.6856366938523748,0.6741827153724899,0.2691984785141526,0.33337331231581113,0.49059780001370706
EOS-3-18298,Cn1nccc1-c1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CCNC5)cc4)n23)ccn1,IWNGTAYTBVGHNJ-UHFFFAOYSA-N,3,1,0.306,52,582,465.521,2.346,6,0.409,0.65,1.0,0.07457508052909327,0.000719621684600096,0.09365362209581249,0.09201733945582893,0.0652414159413337
EOS-3-18299,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)cc1,YCINKPAORDNBTH-UHFFFAOYSA-N,3,1,0.523,81,117,462.477,3.018,6,0.367,0.68,1.0,0.36878897950791584,0.18866938523747515,0.25142210951956684,0.20118566239462682,0.25251653416489617
EOS-3-18300,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4cccnn4)nc3)n12,AIEJBOVAVIAMES-UHFFFAOYSA-N,3,1,0.455,55,564,434.822,3.41,5,0.414,0.66,1.0,0.8486224384894798,0.8126841888835583,0.6550527722568706,0.6712356932355562,0.7468987732163663
EOS-3-18301,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5c[nH]nn5)nc4)n23)cc1,QJVMHHKPWBHTKI-UHFFFAOYSA-N,3,1,0.517,89,398,427.428,1.91,5,0.419,0.7,1.0,0.555265231992324,0.2220546912480296,0.23362860667534782,0.12030532520046604,0.2828134637790419
EOS-3-18302,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)cc4F)n23)n1,JOFOLBYKFQNSJI-UHFFFAOYSA-N,3,1,0.506,37,353,452.881,3.339,5,0.392,0.73,1.0,0.5918717017339455,0.6840004112123912,0.35053286272359674,0.39423274621341925,0.5051594304708382
EOS-3-18303,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccncc3)n12,WKYWIHHUSIXTTJ-UHFFFAOYSA-N,3,1,0.263,86,854,433.439,2.501,6,0.412,0.65,0.995,0.04208073469947228,0.01763929819751902,0.03434480159002125,0.06015694606264135,0.03855544513741348
EOS-3-18304,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cccnc5)n4)n23)nc1,NFAAMNQYKSQALE-UHFFFAOYSA-N,3,1,0.27,70,813,433.439,2.501,6,0.412,0.63,0.998,0.04501918991158933,0.026026317593036804,0.13449215269686793,0.140112055376602,0.08641242889452402
EOS-3-18305,c1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)cn2)c1,WPXUGVSXLDOMAN-UHFFFAOYSA-N,3,1,0.292,86,957,434.488,4.434,6,0.405,0.76,1.0,0.07082276745939278,0.11594476046878213,0.41290864231375507,0.45111712699609346,0.26269832430950585
EOS-3-18306,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ncccn1,AKYAKXOOVOUYMA-UHFFFAOYSA-N,3,1,0.547,4,248,431.481,3.601,5,0.402,0.76,1.0,0.3804228634089507,0.2939654581591392,0.16527311356315538,0.08811082173942841,0.23194306421766842
EOS-3-18307,Cc1nccc(COc2cncc3nnc(-c4cnnc(-c5ncccc5F)c4)n23)c1F,AXBZYESGEJRTCK-UHFFFAOYSA-N,3,1,0.421,55,606,432.394,3.204,5,0.417,0.66,1.0,0.6371650332396683,0.5680299499691591,0.5630097320265918,0.5309351655129875,0.5747849701871017
EOS-3-18308,Fc1ccccc1-c1nncc(-c2cncc3nnc(-c4cc(Cl)ccc4F)n23)n1,CRYSULZXDASMSR-UHFFFAOYSA-N,3,1,0.435,45,730,421.798,4.242,5,0.433,0.76,1.0,0.3189551778493592,0.5882050579124117,0.8226646562949763,0.9093790692892879,0.6598009903365089
EOS-3-18309,Cn1ccnc1-c1cnc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nc1,LWBRCTODYWCSFQ-UHFFFAOYSA-N,3,1,0.306,86,356,451.429,2.64,6,0.398,0.63,0.999,0.13727640326228496,0.21177438146802824,0.12030532520046604,0.18731581111644163,0.16416798026180524
EOS-3-18310,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)c(F)c1,VSLINLQZFUNESX-UHFFFAOYSA-N,3,1,0.33,10,681,456.42,3.113,6,0.401,0.64,1.0,0.03620382427523816,0.2679305736412857,0.3990987595092865,0.48800630525666505,0.29780986567061885
EOS-3-18311,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncc(C#N)c5)c4)n23)cn1,RPFJGBZPEXHDIY-UHFFFAOYSA-N,3,1,0.5,55,879,420.436,3.402,5,0.425,0.77,1.0,0.697416215475293,0.6166643821533823,0.646768555959153,0.5505448564183401,0.627848502501542
EOS-3-18312,Cn1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)n1,KGDYAKNFERWEJG-UHFFFAOYSA-N,3,1,0.38,51,924,421.812,1.399,5,0.409,0.69,1.0,0.3341186347748612,0.4719347543005963,0.026120553766020148,0.04117264066890549,0.2183366458775958
EOS-3-18313,Cc1c[nH]c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nc2)n1,WXNADMJGSZNDMJ-UHFFFAOYSA-N,3,1,0.323,32,687,431.463,4.009,6,0.449,0.7,0.977,0.06312110204920841,0.08796518401754506,0.3245408128298266,0.3084349941744911,0.19601552326776778
EOS-3-18314,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)ccc2F)n(C)n1,NRUSPNPXZVOAOD-UHFFFAOYSA-N,3,1,0.518,16,610,451.853,3.057,5,0.375,0.71,1.0,0.6284781714755672,0.6499040504420533,0.2843362346652046,0.29584161469398945,0.4646400178192036
EOS-3-18315,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cn2)n1C,DTLUNGKCNQETSO-UHFFFAOYSA-N,3,1,0.278,76,557,446.478,3.414,6,0.405,0.64,1.0,0.18417174970872455,0.06702761976560893,0.12862380919745048,0.1085001028030978,0.12208082036872044
EOS-3-18316,Fc1cnncc1COc1cncc2nnc(-c3cc(-c4ccnc(Cl)c4)ccn3)n12,ZROHURBTINRWQP-UHFFFAOYSA-N,3,1,0.4,46,160,434.822,3.41,5,0.387,0.7,1.0,0.6429048728668357,0.6166729490781989,0.6879240627784251,0.7164604893427455,0.6659905935165513
EOS-3-18318,Cc1noc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)n1,OLXYZIGGTIBNNU-UHFFFAOYSA-N,3,1,0.32,42,57,432.447,4.274,6,0.406,0.75,1.0,0.17001062298677266,0.1405661023918854,0.3844150503735179,0.37871804537043385,0.2684274552806525
EOS-3-18319,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ncc(F)cn4)n23)cn1,MLGAQQQERDCEQK-UHFFFAOYSA-N,3,1,0.284,86,902,450.441,3.245,6,0.402,0.67,1.0,0.23678123500788156,0.24252964155986567,0.19819580563360975,0.22179768350352957,0.22482609142622165
EOS-3-18320,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cc2)s1,ZAJIFUXSUHXCHE-UHFFFAOYSA-N,3,1,0.333,62,341,470.533,4.922,6,0.394,0.86,1.0,0.21748852032074567,0.26273045027756836,0.4129172092385717,0.47313412377492975,0.3415675759029539
EOS-3-18321,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)n5C)n34)cn2)n(C)n1,BRQHQPJQGTYBSB-UHFFFAOYSA-N,3,1,0.333,8,474,448.494,3.358,6,0.407,0.66,1.0,0.07883284216297717,0.05544513741347406,0.06457747926804194,0.07760777191419369,0.06911580768967171
EOS-3-18322,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnn(C)c6)cn5)n34)cc2)n1C,XMVVQWQEFJIKHB-UHFFFAOYSA-N,3,1,0.311,98,167,448.494,3.358,6,0.407,0.64,1.0,0.10503049825234734,0.06341237749297512,0.2729250908094031,0.2011942293194435,0.16064054896854227
EOS-3-18323,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)no1,UHYJLCUUARPPPP-UHFFFAOYSA-N,3,1,0.307,10,195,421.424,3.397,6,0.426,0.76,0.991,0.02628332533753684,0.07070283051195943,0.16217188677952163,0.18208998697827428,0.11031200740182304
EOS-3-18324,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncc(Br)cn4)n23)cc1,NQPFJQOXHMEWSK-UHFFFAOYSA-N,3,1,0.442,96,856,459.307,4.686,5,0.388,0.79,1.0,0.40666335412240423,0.3907288739634021,0.6018093345212803,0.5857720512644781,0.4962434034678912
EOS-3-18325,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)nn1,UUFIITWEIYLQCT-UHFFFAOYSA-N,3,1,0.522,19,785,428.431,3.107,5,0.406,0.66,1.0,0.6672520731958056,0.5928483311630457,0.38066273730381744,0.384826262764718,0.5063973511068467
EOS-3-18326,COc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1nccn1C,GRURJPPIICUCOL-UHFFFAOYSA-N,3,1,0.488,51,196,448.874,3.223,5,0.39,0.68,1.0,0.5773250633952437,0.45887019395517786,0.2916352546090056,0.22449626482077994,0.3880816941950518
EOS-3-18327,NC(=O)c1ccc(-c2nnc3cncc(-c4nccc(-c5cnc(F)cn5)n4)n23)cn1,VDRPRWFYTPNERH-UHFFFAOYSA-N,3,1,0.376,50,261,414.364,1.338,5,0.459,0.7,0.986,0.167372010143239,0.1595675416352546,0.07305873483654307,0.06634226578027551,0.11658513809882805
EOS-3-18328,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)s1,KSYYREBXHRSOTB-UHFFFAOYSA-N,3,1,0.426,51,924,437.876,3.036,5,0.408,0.66,1.0,0.5065108628606675,0.6117298334589816,0.05502535809745734,0.0758429854019601,0.31227725995476663
EOS-3-18329,Cn1cncc1-c1ccc(F)c(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)c1,NRKNDLLVONXSTO-UHFFFAOYSA-N,3,1,0.54,16,214,426.415,3.177,5,0.425,0.69,1.0,0.7370639435268316,0.6117384003837982,0.7612912069083682,0.6800510588719073,0.6975361524227264
EOS-3-18330,Cc1coc(-c2ccc(-c3nnc4cncc(OCc5nnc(C)o5)n34)cc2Cl)n1,BGQRNXREGBPIGW-UHFFFAOYSA-N,3,1,0.537,4,534,423.82,3.679,5,0.417,0.74,1.0,0.6117812350078816,0.64991261736687,0.17521074635049003,0.18209855390309096,0.40475078815708315
EOS-3-18331,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cc2)ccn1,MMMZVDMNWKZIAJ-UHFFFAOYSA-N,3,1,0.37,3,289,448.465,4.549,6,0.393,0.75,0.998,0.0297529298882873,0.20695976972106092,0.6407974093619354,0.6652731135631553,0.3856958056336097
EOS-3-18332,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccn[nH]5)c4)n23)cc1,SMLDWWGWMXRCPC-UHFFFAOYSA-N,3,1,0.299,98,882,421.428,2.434,6,0.46,0.65,1.0,0.10245185388253032,0.0707113974367761,0.20529778630662737,0.2044153930505106,0.14571910766911111
EOS-3-18333,N#Cc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)c1,GFFGPOCJIGQQSA-UHFFFAOYSA-N,3,1,0.54,1,675,439.866,4.352,5,0.401,0.72,1.0,0.857412103351381,0.965004112123912,0.8384106641080118,0.8562384346514975,0.8792663285587006
EOS-3-18334,COc1nc(-c2ccc(F)cc2)nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,AUZAXRNLYXWBSV-UHFFFAOYSA-N,3,1,0.367,62,302,482.479,3.35,6,0.391,0.85,0.997,0.44561716126379275,0.39073744088821877,0.11146425878966486,0.14230518812966897,0.2725310122678363
EOS-3-18335,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)nc1,KZKMOVYYKAHULF-UHFFFAOYSA-N,3,1,0.276,86,902,449.413,2.696,6,0.395,0.63,1.0,0.25033411006785006,0.2730535946816531,0.19820437255842643,0.24509115208004933,0.24167080734699475
EOS-3-18336,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5nc(C)c(C)nc5C)n34)c(F)c2)nn1,NCNWSBAOTYIJTE-UHFFFAOYSA-N,3,1,0.293,50,336,426.459,4.078,5,0.429,0.68,0.778,0.2958844493180728,0.30874340346789114,0.18135323144404084,0.18472859982180798,0.24267742101295317
EOS-3-18337,Cc1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)o1,PUADPNQAXNILCQ-UHFFFAOYSA-N,3,1,0.541,27,69,454.372,3.538,5,0.393,0.69,1.0,0.7979747789733397,0.7409533273935988,0.7844390377630046,0.5573127270235076,0.7201699677883626
EOS-3-18338,Fc1cc(-c2ccncc2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)n1,AAQDGBNEFUTWIP-UHFFFAOYSA-N,3,1,0.441,11,278,447.861,4.057,5,0.362,0.76,1.0,0.6117898019326983,0.6303200603111507,0.6169727914467823,0.665281680487972,0.6310910835446508
EOS-3-18340,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)nc1,SWSBOGXDMLPEEI-UHFFFAOYSA-N,3,1,0.378,80,318,448.45,3.231,6,0.391,0.67,1.0,0.455100747035844,0.25732472071825097,0.15279967103008704,0.11795798780069906,0.2457957816462203
EOS-3-18341,Cn1cnc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)c2)n1,SPBJMSBDOFQLDS-UHFFFAOYSA-N,3,1,0.277,94,615,432.451,3.106,6,0.418,0.67,1.0,0.07458364745390994,0.07772770886162703,0.1685371119183058,0.18732437804125832,0.12704321156877527
EOS-3-18342,Fc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ncncc5F)c4)n23)nc1,AWUGKBKFUINEHX-UHFFFAOYSA-N,3,1,0.358,45,575,435.825,4.166,5,0.421,0.67,0.997,0.3960489342745528,0.4411623603591255,0.8334846823384278,0.8852803097800014,0.6389940716880269
EOS-3-18343,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccn(C)n5)ccc4Cl)n23)cn1,VEEWMNQPIAJGAN-UHFFFAOYSA-N,3,1,0.472,4,205,431.887,4.128,5,0.416,0.73,1.0,0.5090552395312179,0.6595761085600713,0.67461962853814,0.6191916249742992,0.6156106504009321
EOS-3-18344,OCc1cccc(-c2ccnc(-c3nnc4cncc(OCc5cnccc5F)n34)c2)n1,MAEVORPYJVLHIF-UHFFFAOYSA-N,3,1,0.402,46,181,429.415,2.854,5,0.439,0.67,1.0,0.5691008155712426,0.4279607292166404,0.5951699677883627,0.5373346583510383,0.5323915427318211
EOS-3-18345,Cc1nnc(COc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)cc1Cl,JWSMUUZOXQRMAR-UHFFFAOYSA-N,3,1,0.407,53,587,431.847,2.974,5,0.413,0.65,1.0,0.4273182098553903,0.42796929614145707,0.2770971831951203,0.30541943663902404,0.3594510314577479
EOS-3-18346,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)nn1,ZCCVZGNCQACCKV-UHFFFAOYSA-N,3,1,0.483,7,241,431.847,2.974,5,0.413,0.65,0.999,0.4385580152148585,0.5038379823178671,0.23363717360016448,0.2306473168391474,0.3516701219930094
EOS-3-18347,N#Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cnc(C#N)cn5)nn4)n23)cc1,VEEBEABUZKDXLP-UHFFFAOYSA-N,3,1,0.452,89,706,418.38,2.574,5,0.425,0.73,1.0,0.8009389349599068,0.6890805976286752,0.505439997258584,0.46693167020766224,0.615597800013707
EOS-3-18348,Fc1cnc(-c2ccccn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ZIUVLAMCKPWVCQ-UHFFFAOYSA-N,3,1,0.615,24,232,432.846,4.62,5,0.403,0.77,1.0,0.9729799191282297,0.9784456171612638,0.8416061270646289,0.8645740524981153,0.9144014289630594
EOS-3-18350,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,HMCMVVKMWWYAQP-UHFFFAOYSA-N,3,1,0.628,59,232,432.846,4.62,5,0.403,0.77,1.0,0.9821465286820643,0.9809899938318142,0.7994140223425399,0.840415324515112,0.9007414673428826
EOS-3-18351,O=C(NCCO)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)cc1,DGGHDWBSZFYBJY-UHFFFAOYSA-N,3,1,0.534,89,770,458.438,1.537,5,0.35,0.79,1.0,0.4178431910081557,0.07071996436159277,0.14651154821465287,0.07184223151257625,0.1767292337742444
EOS-3-18352,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cn1,YQUFOACDYYUALH-UHFFFAOYSA-N,3,1,0.517,7,212,448.849,3.718,5,0.4,0.67,1.0,0.5948101569460627,0.6741912822973065,0.5732729079569597,0.5636693852374751,0.601485933109451
EOS-3-18353,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ccc4F)n23)nc1,QIBNEITUYYEWGB-UHFFFAOYSA-N,3,1,0.422,59,691,451.824,4.154,5,0.396,0.71,1.0,0.8115619217325749,0.8007590295387568,0.8463693372626961,0.8711020492084162,0.8324480844356109
EOS-3-18354,Cn1ncc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)c1-c1ccc(F)cc1,JZNKHYNMLBPKIU-UHFFFAOYSA-N,3,1,0.346,30,625,448.465,4.455,6,0.396,0.76,1.0,0.17270063737920635,0.2679391405661024,0.5698461380302926,0.6454321156877527,0.4139795079158385
EOS-3-18355,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c1,VIKKYDPNVFOCCX-UHFFFAOYSA-N,3,1,0.394,51,905,437.826,2.748,5,0.386,0.69,1.0,0.5424319786169557,0.5038465492426838,0.3806713042286341,0.3914399287231855,0.4545974402028648
EOS-3-18356,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)nc2)ccn1,USNCBNUSGDTSQZ-UHFFFAOYSA-N,3,1,0.435,59,153,434.381,4.245,5,0.385,0.78,1.0,0.8598022753752314,0.8454355424576794,0.9376327873346584,0.9308135151805907,0.8934210300870399
EOS-3-18357,Cc1[nH]ncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)nn1C,STLBTPVIVDTMJK-UHFFFAOYSA-N,3,1,0.392,31,602,436.867,2.288,5,0.429,0.66,0.815,0.29589301624288944,0.27306216160646973,0.06458604619285861,0.07761633883901035,0.177789390720307
EOS-3-18358,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5)[nH]4)n23)c(F)c1,JEBWMJCBGOSNQA-UHFFFAOYSA-N,3,1,0.314,98,407,439.418,2.573,6,0.444,0.62,0.972,0.1538191350832705,0.2476355287505997,0.20871598930847782,0.260031868960318,0.21755063052566648
EOS-3-18359,Cc1cnnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nc2)n1,HDPUOKFVOQHCSV-UHFFFAOYSA-N,3,1,0.321,94,515,462.452,3.61,6,0.387,0.71,0.982,0.2764546638338702,0.37173600164484955,0.32454937975464326,0.38177643752998425,0.33862912069083684
EOS-3-18360,Cn1c(C#N)ccc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5cncnc5)n4)n23)cc1,VMGAEARIYXGQBT-UHFFFAOYSA-N,3,1,0.286,38,170,456.473,3.582,6,0.394,0.7,1.0,0.26350147351106845,0.17599890343362345,0.522873689260503,0.4819837571105476,0.36108945582893565
EOS-3-18361,Cc1cnnc(COc2cncc3nnc(-c4ccc(F)c(-c5cnc(C)cn5)c4)n23)c1,VPSMBJUGUGVQEO-UHFFFAOYSA-N,3,1,0.473,4,677,428.431,3.373,5,0.42,0.69,1.0,0.6062470015763142,0.6693938043999725,0.43923480227537526,0.3753169762182167,0.5225481461174697
EOS-3-18363,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)cn1,PSVAYYSCMOMRGH-UHFFFAOYSA-N,3,1,0.554,75,99,430.859,3.579,5,0.39,0.71,1.0,0.6313052566650675,0.5726303885957097,0.4638047426495785,0.4258018641628401,0.523385563018299
EOS-3-18364,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)nc2C)n1,JMYWCFYBGVSOKP-UHFFFAOYSA-N,3,1,0.38,31,690,426.444,2.333,5,0.413,0.67,0.999,0.3213624837228429,0.15584092934000413,0.03171475567130423,0.014983551504351997,0.1309754300596258
EOS-3-18365,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5ccccc5F)o4)n23)cc1,YUMITNUJIMOENE-UHFFFAOYSA-N,3,1,0.346,64,27,454.4,4.244,6,0.389,0.78,0.978,0.247626961825783,0.3431139058323624,0.4604293742718114,0.6038225618531972,0.4137482009457885
EOS-3-18366,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccccc4)n23)nc1,VUURWADURRQZDU-UHFFFAOYSA-N,3,1,0.276,98,880,433.439,2.501,6,0.412,0.62,0.954,0.09740593516551299,0.023644712494003153,0.07306730176135974,0.11082173942841478,0.07623492221232267
EOS-3-18367,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)c2)nn1,YGYKXCZNWZQZLB-UHFFFAOYSA-N,3,1,0.299,98,167,433.439,2.501,6,0.412,0.66,1.0,0.01986669864985265,0.02139161126721952,0.2087245562332945,0.21887636214104586,0.11721480707285313
EOS-3-18368,Cc1cccc(COc2cncc3nnc(-c4cc(-c5cncc(CF)c5)cnn4)n23)n1,XERLTCRIMLLXDY-UHFFFAOYSA-N,3,1,0.394,53,182,428.431,3.395,5,0.405,0.71,1.0,0.3687975464327325,0.27805667877458706,0.4204132684531561,0.352666027002947,0.3549833801658556
EOS-3-18369,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)cn1,HVIYQWOCCQHHPZ-UHFFFAOYSA-N,3,1,0.651,90,636,410.384,2.446,4,0.525,0.8,1.0,0.6672606401206223,0.4546038653964773,0.5228822561853197,0.44476903570694265,0.5223789493523404
EOS-3-18370,COCc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,NLUAEFKJUHBCQQ-UHFFFAOYSA-N,3,1,0.517,44,531,457.469,3.55,5,0.349,0.76,1.0,0.5040692892879172,0.44574566513604275,0.39910732643410324,0.3881930642176684,0.43427883626893293
EOS-3-18371,Fc1ccc(-c2cc(-c3nnc4cncc(-c5cnc(-c6ccccc6)nc5)n34)ccn2)nc1,VAHRIXAERLROII-UHFFFAOYSA-N,3,1,0.355,32,20,446.449,4.511,6,0.393,0.74,1.0,0.36194400657939824,0.3670241929956823,0.6018179014460969,0.6276900143924337,0.4896190288534028
EOS-3-18372,FC(F)c1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,UAHYIJDEHLBCEH-UHFFFAOYSA-N,3,1,0.554,35,426,445.433,4.202,5,0.371,0.74,1.0,0.8295524638475773,0.8086406003700911,0.7587382633130012,0.6740456445754232,0.7677442430265232
EOS-3-18373,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)nn5)n34)cn2)n1,DVRPLKRKTQXTJX-UHFFFAOYSA-N,3,1,0.366,99,286,453.405,1.43,6,0.381,0.64,1.0,0.09741450209032966,0.2069683366458776,0.027242820917003634,0.058597765746007814,0.09755585634980468
EOS-3-18374,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)cn2)cc1,AUKADYFGINWJDM-UHFFFAOYSA-N,3,1,0.299,42,945,417.436,3.496,6,0.433,0.74,1.0,0.005003084092934,0.03440477006373792,0.4392433692001919,0.46056644506887806,0.23480441710643546
EOS-3-18375,Cc1nc(-c2ccnc(CF)c2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,RPMWYIDVHHPIMO-UHFFFAOYSA-N,3,1,0.404,18,658,443.446,2.833,5,0.374,0.66,1.0,0.5245356726749366,0.33293639915016104,0.1345007196216846,0.10850866972791447,0.2751203652936742
EOS-3-18377,Cc1nn(C)c(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,QHFUGGBJEOGZHP-UHFFFAOYSA-N,3,1,0.377,9,791,447.506,3.963,6,0.406,0.69,1.0,0.052618052223973685,0.02603488451785347,0.17819203618669044,0.19554005894044274,0.11309625796724009
EOS-3-18378,Cc1nsc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)cc2)n1,NQWWNLLJFWPPNQ-UHFFFAOYSA-N,3,1,0.308,98,865,439.468,2.86,6,0.439,0.64,1.0,0.05262661914879035,0.13669385237475157,0.05305496538962374,0.06016551298745802,0.07563523747515592
EOS-3-18379,COc1cc(-c2nnc3cncc(OCc4ccc(-c5nnc(C)o5)cn4)n23)ccc1Cl,PJYSBZLZQPOGBI-UHFFFAOYSA-N,3,1,0.54,4,67,449.858,3.786,5,0.382,0.73,1.0,0.6034370502364471,0.762610513330135,0.4278236584195737,0.3462151326159962,0.5350215886505381
EOS-3-18380,Cc1nc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)nc2)n(C)n1,ODNGJJDIXHEIKJ-UHFFFAOYSA-N,3,1,0.309,39,449,464.468,3.553,6,0.389,0.69,0.955,0.17001918991158935,0.23710677815091494,0.1528082379549037,0.21023233500102803,0.192541635254609
EOS-3-18381,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(C(F)(F)F)cn3)n12,LLDZOJVYXPNQDA-UHFFFAOYSA-N,3,1,0.584,68,255,424.745,3.972,4,0.461,0.68,1.0,0.8531714755671305,0.9501404975669934,0.9809214584332808,0.965415324515112,0.9374121890206291
EOS-3-18382,O=C(c1ccc(-c2cncc3nnc(-c4ccncc4-c4cccc(F)c4)n23)cc1)N1CCOCC1,ZOUKEPVUEDKREN-UHFFFAOYSA-N,3,1,0.457,62,376,480.503,4.132,6,0.385,0.88,1.0,0.105039065177164,0.04441950517442259,0.14987834966760333,0.3429082996367624,0.16056130491398807
EOS-3-18384,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cn4)n23)cc1,ZSXKWVALIWZHNK-UHFFFAOYSA-N,3,1,0.378,93,74,448.465,4.455,6,0.396,0.74,1.0,0.1753563840723734,0.2832396682886711,0.6437358645740525,0.6712442601603729,0.4433940442738675
EOS-3-18385,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)cc4)n23)c(F)n1,ZTSDNYMBYNMAST-UHFFFAOYSA-N,3,1,0.541,36,402,417.408,2.403,5,0.401,0.81,1.0,0.5217428551847029,0.5082413816736344,0.21912480296072923,0.20442395997532725,0.36338324994859844
EOS-3-18386,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,GYEJSNMKWUZZOK-UHFFFAOYSA-N,3,1,0.534,4,71,445.87,3.368,5,0.423,0.67,1.0,0.5830477691727778,0.6166815160030156,0.5664964704269755,0.5539202247961071,0.580036495099719
EOS-3-18387,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)ncc1Cl,OQSRGKAMTKRMMS-UHFFFAOYSA-N,3,1,0.489,2,131,448.849,3.452,5,0.389,0.67,1.0,0.7839849907477212,0.779710095264204,0.512610513330135,0.5407699952025221,0.6542688986361456
EOS-3-18388,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cccc(-c4cccnn4)c3)n12,FUJVNXBMRVJGAM-UHFFFAOYSA-N,3,1,0.573,91,433,446.873,4.662,5,0.377,0.78,1.0,0.905095606880954,0.9590929340004112,0.8514666575286135,0.8726012610513331,0.8970641148653279
EOS-3-18389,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)c(F)n1,SJHKFYXYEDSDGG-UHFFFAOYSA-N,3,1,0.396,46,62,448.849,3.718,5,0.4,0.68,1.0,0.7979833458981564,0.7883712562538551,0.4948341443355493,0.5041292577616339,0.6463295010622987
EOS-3-18390,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(C#CC5CCC5)nn4)n23)cc1,CGRUXMFPPXCJBD-UHFFFAOYSA-N,3,1,0.472,63,792,433.422,3.645,5,0.444,0.65,1.0,0.7068998012473443,0.7409618943184154,0.35796038653964773,0.49101329586731546,0.5742088444931808
EOS-3-18391,Cc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)cn1,CYTMJHGGVSYCGI-UHFFFAOYSA-N,3,1,0.384,52,916,476.544,3.629,6,0.382,0.82,0.999,0.1783633746830238,0.03724898910287163,0.10371975875539716,0.11083030635323145,0.10754060722363101
EOS-3-18392,Cc1cc(-c2cnc(COc3cncc4nnc(-c5cnccn5)n34)c(Cl)c2)ccn1,FCXXSAWDZILKLP-UHFFFAOYSA-N,3,1,0.433,7,85,430.859,3.579,5,0.416,0.69,1.0,0.42025906380645606,0.48511068466863133,0.44619971215132614,0.4447776026317593,0.4490867658145432
EOS-3-18393,Cc1cccnc1-c1ncncc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,ISMFWIXZAUQSNJ-UHFFFAOYSA-N,3,1,0.441,55,62,430.859,3.579,5,0.416,0.69,0.999,0.6341323418545679,0.5726389555205263,0.3505414296484134,0.38820163114248507,0.48637858954149815
EOS-3-18394,CCn1cnc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)c(F)c1,PWZWHAHOHIASBJ-UHFFFAOYSA-N,3,1,0.356,96,648,459.46,4.027,5,0.427,0.69,0.879,0.28217736961140427,0.2730707285312864,0.634337948050168,0.5603454184086081,0.4374828661503667
EOS-3-18395,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5csnn5)n4)n23)cc1,RGCCWDBITRWCGK-UHFFFAOYSA-N,3,1,0.343,98,865,438.48,3.167,6,0.412,0.64,1.0,0.03476458090603797,0.044428072099239255,0.12318381193886642,0.1401206223014187,0.08562427181139058
EOS-3-18396,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cc5)n34)c2)n1,GJQKAZQATPHYIU-UHFFFAOYSA-N,3,1,0.322,42,725,450.441,3.245,6,0.376,0.71,1.0,0.16738057706805565,0.28324823521348774,0.42435405386882324,0.4636762387773285,0.3346647762319238
EOS-3-18397,Cc1cc(-c2nccnc2-c2nnc3cncc(OCCc4nccc(C)n4)n23)ccn1,FITDQKXKQRVPTG-UHFFFAOYSA-N,3,1,0.379,18,720,425.456,2.672,5,0.405,0.7,0.999,0.384929065862518,0.17144986635597287,0.04269755328627236,0.031149338633404154,0.15755645603454185
EOS-3-18399,CC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccc(F)c(F)c4)n23)nc1,RTPYITQKHFWVGZ-UHFFFAOYSA-N,3,1,0.324,22,844,431.406,3.735,5,0.403,0.7,1.0,0.1591220615447879,0.20235076416969364,0.6467771228839696,0.6038311287780138,0.4030202693441162
EOS-3-18400,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6F)cn5)n34)cn2)o1,CGNCPKUVUPTXPV-UHFFFAOYSA-N,3,1,0.359,32,72,451.425,3.808,6,0.394,0.68,1.0,0.24469707353848263,0.3907460078130354,0.3060362552258241,0.3526745939277637,0.3235384826262765
EOS-3-18401,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nc1,KCMQCWPPZHUWIO-UHFFFAOYSA-N,3,1,0.283,70,957,436.504,4.377,6,0.408,0.73,1.0,0.10246042080734699,0.08470975258721129,0.35054999657323005,0.35565588376396406,0.22334401343293808
EOS-3-18402,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cc2)cn1,WUXCFPIZUHDDIF-UHFFFAOYSA-N,3,1,0.318,93,289,446.474,4.11,6,0.393,0.73,1.0,0.1396665752861353,0.12642210951956687,0.4167637584812556,0.3787266122952505,0.26539476389555205
EOS-3-18403,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1F,WTAQTBVWHSKMBA-UHFFFAOYSA-N,3,1,0.453,26,911,450.865,3.836,5,0.388,0.72,1.0,0.5397419642245219,0.6303286272359674,0.5533805085326571,0.5539287917209239,0.5693449729285176
EOS-3-18404,Cc1cc(-c2nnc3cncc(OCc4cc(C(F)(F)F)ncc4Cl)n23)ccn1,SRXXQDLMQPQHNM-UHFFFAOYSA-N,3,1,0.525,68,127,420.782,4.141,4,0.493,0.7,1.0,0.8919796449866356,0.8915684325954355,0.97436776094853,0.9297083818792407,0.9219060551024605
EOS-3-18405,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5F)c4)n23)c1,KHNFECHNIZWYOB-UHFFFAOYSA-N,3,1,0.612,84,884,430.418,4.148,5,0.377,0.79,1.0,0.8510126105133301,0.8549790967034473,0.854396545815914,0.847637242135563,0.8520063737920636
EOS-3-18406,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)nn1,WQZLYJKDSDEELC-UHFFFAOYSA-N,3,1,0.409,46,128,437.826,2.748,5,0.413,0.64,1.0,0.35742067027619767,0.4945428688917826,0.26558323624151875,0.3398413405523953,0.36434702899047355
EOS-3-18407,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)cc(C#N)n2)cn1,CQEULIAAPAWZET-UHFFFAOYSA-N,3,1,0.372,51,441,441.842,3.664,5,0.41,0.68,1.0,0.6401805907751353,0.6890891645534919,0.4915101775066822,0.4543382907271606,0.5687795558906175
EOS-3-18408,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cccc(C#N)c5)n34)c2)s1,IOZJPJYDGYEULY-UHFFFAOYSA-N,3,1,0.506,43,909,425.477,4.069,5,0.418,0.78,1.0,0.6088085120964979,0.6166900829278322,0.5090895072304845,0.48199232403536424,0.5541451065725448
EOS-3-18409,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cn1,QLNSAJHIKVGMLJ-UHFFFAOYSA-N,3,1,0.341,50,997,416.38,1.328,5,0.435,0.73,1.0,0.012139332465218285,0.12643067644438352,0.1203138921252827,0.09597525872112947,0.0887147899390035
EOS-3-18410,COc1nc(C(F)F)ccc1-c1nnc2cncc(Cc3cccc(Cl)c3F)n12,FLLKQDXAOMUCJC-UHFFFAOYSA-N,3,1,0.37,66,225,419.794,4.516,4,0.476,0.77,0.999,0.6488503186896032,0.8086491672949078,0.9450603111507093,0.92546775409499,0.8320068878075526
EOS-3-18411,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)c(Cl)c1,ZQFPXCISPXPOKF-UHFFFAOYSA-N,3,1,0.627,84,496,447.861,4.057,5,0.387,0.7,1.0,0.8370056884380783,0.8668528544993489,0.7994225892673565,0.8097457336714413,0.8282567164690563
EOS-3-18412,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)ccn1,TZFQSQBPWREMIH-UHFFFAOYSA-N,3,1,0.436,18,503,431.406,3.543,5,0.38,0.72,1.0,0.60024158727983,0.572647522445343,0.6285210060996504,0.6424936604756357,0.6109759440751148
EOS-3-18413,Cn1cc(-c2cncc(-c3cncc4nnc(-c5cc(-c6ccco6)ccc5F)n34)c2)nn1,ZEJXRVXVFDYPDW-UHFFFAOYSA-N,3,1,0.31,42,693,438.426,4.048,6,0.409,0.72,1.0,0.12913782468645055,0.22206325817284628,0.619919813583716,0.6367366869988349,0.40196439586046195
EOS-3-18414,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccnc(-c4cccnn4)c3)n12,ABWGARBSUTVITQ-UHFFFAOYSA-N,3,1,0.541,75,559,432.394,2.938,5,0.403,0.67,1.0,0.8140463299294085,0.6989068603933932,0.5466383387019396,0.5442910013021726,0.6509706325817285
EOS-3-18415,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nccnn5)cn4)n23)cc1,ZSWMTRJDUONYPL-UHFFFAOYSA-N,3,1,0.453,89,408,466.465,1.904,6,0.377,0.7,1.0,0.4044273867452539,0.13670241929956822,0.033051195942704406,0.03742889452402166,0.15290247412788707
EOS-3-18416,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cc2)n1,UTZAUEMAHQWPBO-UHFFFAOYSA-N,3,1,0.474,36,94,419.836,2.609,5,0.427,0.72,1.0,0.5090638064560346,0.535535604139538,0.25143067644438355,0.25711911452265096,0.3882873003906518
EOS-3-18417,Clc1ccc(Cn2ncnc2-c2ccc(-c3nnc4cncc(Cl)n34)cn2)s1,NGKNPXWFUBKFHT-UHFFFAOYSA-N,3,1,0.514,50,45,429.296,3.861,5,0.431,0.67,1.0,0.20360153519292715,0.24253820848468233,0.21913336988554588,0.41947947364813926,0.27118814680282366
EOS-3-18418,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n(C)n2)n1C,GDEQLTVNDVFAAP-UHFFFAOYSA-N,3,1,0.488,36,292,439.842,3.214,5,0.423,0.73,0.992,0.5372489891028717,0.7177712288396957,0.1782006031115071,0.24509971900486602,0.4195801350147351
EOS-3-18419,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)nn5)cn4)n23)cn1,PLOLZURNXFPBAE-UHFFFAOYSA-N,3,1,0.455,7,535,432.835,2.369,5,0.408,0.63,1.0,0.6034456171612638,0.6694023713247893,0.13152799671030088,0.1289407854156672,0.3833291926530053
EOS-3-18420,Cc1nccc(COc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)c1Cl,ZASMESSUOJTKQP-UHFFFAOYSA-N,3,1,0.467,16,606,431.887,4.128,5,0.416,0.71,1.0,0.5065194297854843,0.467685559591529,0.6580854636419711,0.6070694263587143,0.5598399698444246
EOS-3-18421,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)n(C)n4)n23)c(F)c1,GVYJPPIIIJNSGU-UHFFFAOYSA-N,3,1,0.466,36,610,438.854,3.297,5,0.418,0.67,1.0,0.44099102186279215,0.5882136248372284,0.54985093550819,0.5442995682269892,0.5308387876088
EOS-3-18422,COCC1CC(C)CN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cc1,OYYZETZPIASBHS-UHFFFAOYSA-N,3,1,0.318,0,829,471.521,2.449,5,0.457,0.66,0.995,0.11549071345349873,0.02604345144267014,0.0665307381262422,0.06635083270509218,0.06860393393187582
EOS-3-18423,COc1nn(C)cc1COc1cncc2nnc(-c3ccc(F)c(-c4cnn(C)c4)c3)n12,BXTZCRCXLLSFGP-UHFFFAOYSA-N,3,1,0.53,92,394,434.435,2.652,5,0.405,0.68,1.0,0.5139212528270852,0.5308580631896375,0.38804742649578505,0.26004043588513465,0.42321679459941064
EOS-3-18424,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccncc5)n4)n23)cc1F,ZPKPLPWGRFURFY-UHFFFAOYSA-N,3,1,0.582,59,294,434.381,4.245,5,0.412,0.71,1.0,0.8319597697210609,0.8165735727503255,0.9160270029470221,0.9137396340209718,0.8695749948598451
EOS-3-18425,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)c(F)c2)n1,NXZFSWIWUTYOET-UHFFFAOYSA-N,3,1,0.337,25,791,449.453,3.85,6,0.403,0.66,1.0,0.2447056404632993,0.2780652456994037,0.38067987115345076,0.46368480570214515,0.3417838907545747
EOS-3-18426,Fc1cccc(-c2cnccc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)c1,ZEJIIQZJTKHNGK-UHFFFAOYSA-N,3,1,0.341,30,298,434.438,4.24,6,0.413,0.68,0.99,0.009260845726817901,0.1634226578027551,0.5466469056267562,0.6510862860667535,0.3426041738057707
EOS-3-18427,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnc(C)nc5-c5cccnc5)n34)cn2)n1,RNFBXFDSOXANQF-UHFFFAOYSA-N,3,1,0.316,86,321,448.45,3.372,6,0.395,0.67,1.0,0.18418031663354123,0.12280686724693304,0.0985453361661298,0.08811938866424508,0.1234129771777123
EOS-3-18428,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)ccn2)c(F)c1,HYYOEDAYNFPWEU-UHFFFAOYSA-N,3,1,0.494,75,43,427.443,3.978,5,0.419,0.73,1.0,0.6284867384003838,0.5590346789116579,0.5951785347131794,0.5143067644438353,0.574251679117264
EOS-3-18429,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)cc1,PDQFUUICOYEKKR-UHFFFAOYSA-N,3,1,0.316,38,818,445.49,4.194,6,0.392,0.73,1.0,0.07459221437872661,0.044436639024055924,0.29513912685902266,0.31470598314029197,0.18221849085052427
EOS-3-18430,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)c(F)c4F)n23)nc1,CMRWTSCHDJTETO-UHFFFAOYSA-N,3,1,0.409,46,1,444.405,3.316,5,0.409,0.65,0.921,0.7493232129394832,0.5446251113700226,0.8704680967719828,0.809754300596258,0.7435426804194366
EOS-3-18431,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cn1,AQTNNQDXGQJJIX-UHFFFAOYSA-N,3,1,0.26,86,421,461.493,3.292,6,0.38,0.72,0.958,0.07083133438420944,0.023653279418819822,0.04270612021108903,0.04764066890548969,0.046207850729901995
EOS-3-18432,N#Cc1nc(COc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)ccc1F,NCWOJBGWWFWCBL-UHFFFAOYSA-N,3,1,0.541,4,702,424.399,3.233,5,0.422,0.71,1.0,0.7220803920224796,0.7177797957645123,0.5857292166403948,0.5238417517647865,0.6373577890480433
EOS-3-18433,Cc1ncc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c(OC2CCOC2=O)n1,WILNKKFXNUWXDW-UHFFFAOYSA-N,3,1,0.315,63,66,432.4,0.745,5,0.445,0.64,1.0,0.2503426769926667,0.04082996367623878,0.010768624494551435,0.004540470152833939,0.07662043382907271
EOS-3-18434,Cc1ccc(-c2nnc3cncc(OCc4nccnc4-c4cnc(C)c(F)c4)n23)cc1,CZGCBVITEXNQFD-UHFFFAOYSA-N,3,1,0.483,89,731,427.443,3.978,5,0.419,0.7,1.0,0.7783822219176204,0.7085018161880612,0.5018675896100336,0.4382153382221918,0.6067417414844767
EOS-3-18435,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncc(F)c6)nc5)n34)nc2)cn1,XEORBQBHQORPTQ-UHFFFAOYSA-N,3,1,0.306,70,714,449.453,3.85,6,0.403,0.68,1.0,0.16471626345007195,0.242546775409499,0.616981358371599,0.592043040230279,0.4040718593653622
EOS-3-18436,Fc1cc(-c2ncc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)ccn1,QGGKGYMUXFHERM-UHFFFAOYSA-N,3,1,0.4,50,243,421.346,3.177,5,0.407,0.72,0.663,0.3189637447741759,0.4992803783153999,0.6772325406072236,0.6566205194983209,0.5380242957987801
EOS-3-18437,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nc1,LFHMRSXAWRAHMF-UHFFFAOYSA-N,3,1,0.446,90,457,409.837,2.216,4,0.486,0.84,0.999,0.4643187581385786,0.31385785758344187,0.16218045370433828,0.13117675279281749,0.2678834555547941
EOS-3-18438,Cn1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc6ncccc6c5)c4)n23)n1,WEZBUDYVZPODSQ-UHFFFAOYSA-N,3,1,0.479,28,183,434.463,3.714,6,0.408,0.72,1.0,0.30619045987252413,0.28325680213830445,0.4243626207936399,0.39721403604961963,0.35275597971352207
EOS-3-18439,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)nn5)n34)c2)cc1F,PVIMBLKZNUIPRB-UHFFFAOYSA-N,3,1,0.362,14,351,447.861,4.323,5,0.396,0.76,1.0,0.5691093824960592,0.6166986498526489,0.6989068603933932,0.6915907065999589,0.644076399835515
EOS-3-18440,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccs5)n4)n23)cc1,NIBFUZQNZSPWBT-UHFFFAOYSA-N,3,1,0.297,8,890,438.48,3.167,6,0.412,0.63,1.0,0.11253512439174834,0.1297118086491673,0.07307586868617641,0.08812795558906175,0.10086268932903844
EOS-3-18441,c1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncs6)c5)n34)nc2)ccn1,UIBXXHFJUORBPY-UHFFFAOYSA-N,3,1,0.268,86,957,423.465,3.558,6,0.427,0.73,0.997,0.000985196353916798,0.016071550956068808,0.30961722979919126,0.3366887122198616,0.16584067233225963
EOS-3-18442,c1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nn2)cn1,CRQSBWVKMMRMRL-UHFFFAOYSA-N,3,1,0.358,42,620,423.465,3.558,6,0.427,0.73,1.0,0.0025786443698170105,0.02842505654170379,0.27710575011993693,0.34291686656157905,0.16275657939825922
EOS-3-18443,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)nc1,ALADLRUDPCAKJZ-UHFFFAOYSA-N,3,1,0.541,24,912,433.834,4.015,5,0.386,0.72,1.0,0.6705332054005894,0.6890977314783086,0.6772411075320403,0.7083390446165444,0.6863027722568706
EOS-3-18444,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)c(F)c1,QHZBGGFDRFKUDK-UHFFFAOYSA-N,3,1,0.355,9,635,467.443,3.989,6,0.387,0.73,1.0,0.26351004043588516,0.29397402508395587,0.6138030292646152,0.6192001918991159,0.44762182167089304
EOS-3-18445,Clc1cc(Oc2ccncc2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,HRVAOBRXHSAUAO-UHFFFAOYSA-N,3,1,0.506,35,846,445.87,4.044,5,0.37,0.73,1.0,0.7282485778904805,0.8279932835309437,0.5430230964293057,0.5539373586457406,0.6633005791241177
EOS-3-18446,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cn1,CLMUGNFZNQDLFL-UHFFFAOYSA-N,3,1,0.319,61,917,412.417,1.403,5,0.469,0.79,1.0,0.11820642862038243,0.07431807278459324,0.04123260914262217,0.028407922692070455,0.06554125830991707
EOS-3-18447,COCC#Cc1ncc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,FKGWKFJYKVSTCE-UHFFFAOYSA-N,3,1,0.561,90,555,424.823,2.951,4,0.455,0.63,1.0,0.862183880474265,0.9490353642656432,0.7883798231786718,0.7164690562675622,0.8290170310465356
EOS-3-18448,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cn1,SEZDJACQKIHTEZ-UHFFFAOYSA-N,3,1,0.5,55,879,432.394,3.204,5,0.39,0.71,1.0,0.7432492632444657,0.6020577753409636,0.6285295730244671,0.5539459255705572,0.6319456342951134
EOS-3-18449,COc1cc(-c2nnc3cncc(OCCc4ccncn4)n23)ccc1-c1ccncc1,XIELHNVRLWQYLY-UHFFFAOYSA-N,3,1,0.529,15,103,425.452,3.273,5,0.392,0.71,1.0,0.532083133438421,0.3237954903707765,0.4569169350969776,0.33669727914467823,0.41237320951271333
EOS-3-18450,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccnc(CO)c5)n34)c2)nc1,ZZWJGQVTOWGQFI-UHFFFAOYSA-N,3,1,0.466,2,131,426.44,2.418,5,0.436,0.67,1.0,0.45043177301076004,0.2832653690631211,0.29886573915427317,0.20120279624426016,0.30844141936810365
EOS-3-18451,CCc1ccc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,AZUQNBSHQSZKPE-UHFFFAOYSA-N,3,1,0.443,0,862,411.509,4.031,5,0.498,0.87,1.0,0.30875197039270785,0.14795935850866973,0.2514392433692002,0.26004900280995136,0.24204989377013228
EOS-3-18452,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cn(CCO)nn5)cn4)n23)cc1,FLPISHRZIJERBW-UHFFFAOYSA-N,3,1,0.351,52,357,455.482,1.387,5,0.376,0.7,1.0,0.07657117401137688,0.03441333698855459,0.08924165581522857,0.04907134534987321,0.06232437804125831
EOS-3-18453,CC(F)(F)c1ncc(-c2nnc3cncc(Cc4cc(Cl)cc(Cl)c4)n23)cn1,UDXGWUZSOGHVPW-UHFFFAOYSA-N,3,1,0.348,68,364,421.238,4.591,4,0.482,0.74,1.0,0.3640943047083819,0.4145020903296553,0.9187684188883558,0.9093876362141046,0.6516881125351244
EOS-3-18454,Cc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4)n23)n1,YYEBCVREIZFDAP-UHFFFAOYSA-N,3,1,0.484,65,579,428.431,3.107,5,0.406,0.69,1.0,0.769626824754986,0.7671852511822356,0.24424302652319924,0.23952265094921527,0.5051444383524091
EOS-3-18455,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(C#N)cn5)ccn4)n23)c1F,TXKNJZMHWZTVBX-UHFFFAOYSA-N,3,1,0.392,46,181,438.426,3.542,5,0.409,0.68,1.0,0.637173600164485,0.5355441710643547,0.7040127475841272,0.6306370365293674,0.6268418888355836
EOS-3-18456,CCn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)cc1,MMSASAKGISSOHS-UHFFFAOYSA-N,3,1,0.289,9,642,448.494,3.532,6,0.397,0.67,1.0,0.059608662874374614,0.03442190391337126,0.18136179836885752,0.19824720718250977,0.11840989308477828
EOS-3-18457,c1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)nn2)cc1,AFUJBEWWKUPHNK-UHFFFAOYSA-N,3,1,0.278,39,37,418.424,2.891,6,0.429,0.73,0.736,0.00044548009046672607,0.002501542046467,0.08925022274004524,0.14473819477760264,0.059233859913645395
EOS-3-18458,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)nn2)no1,PIDLAYQOPVQSAZ-UHFFFAOYSA-N,3,1,0.483,4,677,434.847,3.481,5,0.409,0.73,1.0,0.5245442395997533,0.6644164210814886,0.1982129394832431,0.2306558837639641,0.40445737098211226
EOS-3-18459,Cc1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nc(OCC(F)F)n1,DEEBOWREJLZGLQ-UHFFFAOYSA-N,3,1,0.327,82,478,446.421,3.658,5,0.389,0.72,0.999,0.49151874443149884,0.4191282297306559,0.5262404907134535,0.4322441916249743,0.46728291412514567
EOS-3-18460,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,MUPBSASVJOHUDS-UHFFFAOYSA-N,3,1,0.462,18,531,446.421,3.246,5,0.392,0.64,1.0,0.7282571448152971,0.6020663422657803,0.41677232540607223,0.43544822150640805,0.5456360084983894
EOS-3-18461,OCc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,JLRVBXRCADJVKJ-UHFFFAOYSA-N,3,1,0.471,18,840,426.44,2.152,5,0.417,0.7,1.0,0.3804314303337674,0.21672606401206224,0.25144781029401686,0.1955486258652594,0.2610384826262765
EOS-3-18462,CCn1nccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccnnc5)nc4)n23)nc1,KDYCLIZALUPKCW-UHFFFAOYSA-N,3,1,0.253,86,780,447.466,2.984,6,0.392,0.67,1.0,0.08528373654992803,0.040838530601055446,0.12319237886368309,0.11796655472551573,0.09182030018504558
EOS-3-18463,Cc1ncc(-c2nnc3cncc(OCc4ncc(-c5cc(F)nc(F)c5)cn4)n23)cn1,DVLKPJPIEKWUNH-UHFFFAOYSA-N,3,1,0.424,51,969,433.382,2.599,5,0.386,0.65,1.0,0.6145055170995819,0.6068809540127476,0.40634637790418754,0.34622369954081283,0.49348913713933246
EOS-3-18465,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5cccnc5)cs4)n23)cc1,KTOYHHBZUJGIKX-UHFFFAOYSA-N,3,1,0.301,38,193,437.492,3.772,6,0.414,0.69,1.0,0.061450551709958195,0.09710609279692961,0.17820917003632375,0.20443252690014393,0.13529958536083886
EOS-3-18466,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1F,ZLGPTWZYDZPBMI-UHFFFAOYSA-N,3,1,0.494,20,279,451.853,2.791,5,0.387,0.66,0.995,0.6371821670893016,0.7037214721403605,0.2655918031663354,0.3333818792406278,0.4849693304091563
EOS-3-18467,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)cn2)n1,MXIKLKGNTKTKJF-UHFFFAOYSA-N,3,1,0.495,87,779,451.853,2.791,5,0.387,0.66,0.999,0.6457833596052361,0.6644249880063052,0.2514563772188335,0.2958501816188061,0.46437872661229523
EOS-3-18469,Cc1ccc(-c2nnc3cncc(COCc4cccc(-c5cc(Cl)ncn5)n4)n23)cn1,VVTSGLYAWWOLFN-UHFFFAOYSA-N,3,1,0.369,85,290,444.886,3.717,5,0.365,0.75,1.0,0.35495339592899733,0.39528647796586935,0.39545781646220274,0.37873517922006716,0.38110821739428413
EOS-3-18471,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5ncccc5F)s4)n23)nc1,XPSIHJFGDJXUSX-UHFFFAOYSA-N,3,1,0.323,70,652,456.47,3.306,6,0.397,0.67,0.838,0.09044102528956206,0.22207182509766293,0.10372832568021383,0.1447467617024193,0.14024698444246453
EOS-3-18472,FC(F)Oc1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1Cl,CORWGNKXCUFQDA-UHFFFAOYSA-N,3,1,0.388,22,681,439.813,4.294,5,0.406,0.75,0.83,0.10246898773216366,0.4588787608799945,0.8416146939894456,0.869560002741416,0.5681306113357549
EOS-3-18473,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnn5)c(F)cn4)n23)cc1,PMWHZNYEUZNTLA-UHFFFAOYSA-N,3,1,0.511,4,731,425.387,2.628,5,0.417,0.68,1.0,0.884826262764718,0.8086577342197245,0.6635168939757384,0.6395894729627852,0.7491475909807416
EOS-3-18474,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)cn1,GWVRPJDRYFJKIF-UHFFFAOYSA-N,3,1,0.307,69,339,430.475,4.316,6,0.414,0.76,1.0,0.07657974093619355,0.0743266397094099,0.5090980741553012,0.49717291481049963,0.28929434240285107
EOS-3-18475,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)nc4F)n23)cc1,BRADHDCSMKBKBU-UHFFFAOYSA-N,3,1,0.342,38,167,450.441,3.245,6,0.376,0.67,1.0,0.18418888355835789,0.2117829483928449,0.3544051127407306,0.3462322664656295,0.27415230278939073
EOS-3-18477,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)nc1,QCHKKVQNEWQNLD-UHFFFAOYSA-N,3,1,0.312,86,812,424.388,1.489,6,0.404,0.69,1.0,0.1869302994996916,0.09711465972174628,0.026129120690836817,0.03018127612912069,0.08508883901034885
EOS-3-18478,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Cl)nc4)n23)cc1F,CWIIDUGKOZVUOG-UHFFFAOYSA-N,3,1,0.345,0,999,408.824,3.538,5,0.522,0.9,1.0,0.31138201631142487,0.36703275992049894,0.49151874443149884,0.6594904393119047,0.45735598999383187
EOS-3-18479,CNC(=O)c1ccc(-c2nnc3cncc(C(F)(F)c4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,LMZHINAEBWJDMB-UHFFFAOYSA-N,3,1,0.446,14,331,480.866,3.525,5,0.413,0.8,1.0,0.14817353162908642,0.3191179494208759,0.820608594338976,0.6971677746556096,0.496266962511137
EOS-3-18480,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)cn1,TXWMHIGDRJWEAZ-UHFFFAOYSA-N,3,1,0.329,98,882,452.457,3.188,6,0.405,0.65,1.0,0.22278287985744638,0.3037831539990405,0.3579689534644644,0.3429254334863957,0.30686510520183674
EOS-3-18481,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cc1F,VMVUJFCOKLCTIW-UHFFFAOYSA-N,3,1,0.321,98,42,452.457,3.188,6,0.405,0.65,1.0,0.24219553149201561,0.28846549242683844,0.3060448221506408,0.3054280035638407,0.2855334624083339
EOS-3-18482,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(Cl)cn5)nc4)n23)cn1,PKTWNECLBDSHLX-UHFFFAOYSA-N,3,1,0.451,7,863,474.872,2.025,5,0.387,0.7,1.0,0.6914793365773422,0.5538602563223906,0.06653930505105887,0.050339250222740044,0.3405545370433829
EOS-3-18483,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnncn5)n4)n23)cc1,IVKSWPVFHLRVJU-UHFFFAOYSA-N,3,1,0.315,98,865,433.439,2.501,6,0.412,0.61,1.0,0.10987081077376465,0.04810328284558975,0.1589849907477212,0.16823726954972243,0.12129908847919951
EOS-3-18484,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cncc(-c4ncc(F)cn4)c3)n12,YONBIGABUHNTCK-UHFFFAOYSA-N,3,1,0.505,65,349,431.435,2.446,5,0.403,0.69,1.0,0.4202676307312727,0.38137379206360084,0.13769618257830168,0.11333184839969844,0.2631673634432184
EOS-3-18485,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2Cl)n1,DIVYNVKXYDMOCC-UHFFFAOYSA-N,3,1,0.585,4,610,436.838,3.353,5,0.417,0.64,1.0,0.4689705983140292,0.6791600986909739,0.5364351312452882,0.5732729079569597,0.5644596840518128
EOS-3-18486,Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5ncc(F)cn5)c4)n23)cc1,JECMYGIBDXAAGF-UHFFFAOYSA-N,3,1,0.542,16,97,431.406,3.809,5,0.391,0.7,1.0,0.944709067233226,0.8315742581043108,0.6580940305667877,0.6161846343636488,0.7626404975669933
EOS-3-18488,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)cnn1,CLEULKSJHNOHHX-UHFFFAOYSA-N,3,1,0.273,99,112,439.468,2.562,6,0.407,0.63,0.995,0.02869063121102049,0.0372575560276883,0.055033925022274006,0.09390206291549585,0.05372104379411966
EOS-3-18489,CCn1c(-c2ccc(C)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,UYURBUNXRYXWAU-UHFFFAOYSA-N,3,1,0.321,8,608,460.505,3.897,6,0.381,0.72,1.0,0.09742306901514633,0.0777362757864437,0.08168562812692756,0.09598382564594612,0.08820719964361592
EOS-3-18490,Cc1cnc(-c2nccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cn1,GKRBCDVZAMFNMZ-UHFFFAOYSA-N,3,1,0.373,85,674,431.41,3.27,5,0.417,0.65,1.0,0.27149441436501953,0.31912651634569256,0.3844236172983346,0.3176530052772257,0.3231743883215681
EOS-3-18491,c1cncc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)c1,JYLAIGPZTZRSEB-UHFFFAOYSA-N,3,1,0.281,70,392,430.435,3.162,6,0.415,0.65,0.993,0.10504763210198068,0.07072853128640944,0.28434480159002123,0.3147145500651086,0.19370887876088
EOS-3-18492,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ccc2F)n1,UVMSTBSBCZSWOC-UHFFFAOYSA-N,3,1,0.56,35,509,433.472,3.774,5,0.402,0.72,1.0,0.8827530669590844,0.854987663628264,0.32807038585429377,0.3115876225070249,0.5943496847371668
EOS-3-18493,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnnn4-c4ccccc4Cl)n23)c1,WNUZSPFDQFYOOE-UHFFFAOYSA-N,3,1,0.303,39,144,470.859,3.684,6,0.383,0.76,0.266,0.019875265574669315,0.15584949626482078,0.2583356178466178,0.5143153313686519,0.23709392776368995
EOS-3-18494,Cc1cc(OC(F)F)c(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cn1,BDQHIQKFZSGKNT-UHFFFAOYSA-N,3,1,0.343,50,450,422.359,2.134,5,0.419,0.71,0.997,0.0727845932424097,0.20697690357069426,0.47415358782811323,0.4163268453156055,0.2925604824892057
EOS-3-18495,CCOCCOc1cnccc1-c1cncc2nnc(-c3ccc(C(=O)NCCOC)cc3)n12,UNDWJFZRYHYUSZ-UHFFFAOYSA-N,3,1,0.324,0,437,462.51,2.645,4,0.339,0.77,1.0,0.22572133506956343,0.0028013844150503735,0.19822150640805977,0.08462408333904461,0.12784207730792954
EOS-3-18496,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)o1,OVIRBUHGFCCXPN-UHFFFAOYSA-N,3,1,0.436,6,297,464.449,2.976,6,0.359,0.75,1.0,0.33877904187512853,0.22208039202247962,0.07747926804194366,0.06635939962990885,0.1761745253923652
EOS-3-18497,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)n6)c5)n34)cn2)n(C)n1,GBJCEKZWYJKNLZ-UHFFFAOYSA-N,3,1,0.312,10,664,452.457,3.282,6,0.378,0.7,0.982,0.021837091357686245,0.17600747035844014,0.28808854773490505,0.2690100061681859,0.1887357789048043
EOS-3-18498,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)nn1,BYHWYZRJWCYYKR-UHFFFAOYSA-N,3,1,0.46,51,48,432.835,2.369,5,0.408,0.62,1.0,0.5164656294976355,0.5355527379891714,0.09366218902062916,0.10851723665273114,0.3135494482900418
EOS-3-18499,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnccn6)nn5)n34)nc2)nc1,XEAJQRQMRMHRRQ-UHFFFAOYSA-N,3,1,0.283,86,421,437.402,2.425,6,0.409,0.64,1.0,0.005919745048317456,0.08126584881091084,0.21914193681036256,0.27486121581796996,0.1452971866218902
EOS-3-18500,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)c2)n1,RVUVCGQWXRZKIL-UHFFFAOYSA-N,3,1,0.293,98,765,436.443,1.839,6,0.406,0.62,1.0,0.09265129189226236,0.04811184977040642,0.06459461311767528,0.06821842231512576,0.06839404427386746
EOS-3-18501,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cccc(C(F)F)c1,SQNCLLMWUHNMEZ-UHFFFAOYSA-N,3,1,0.467,95,54,447.449,4.146,5,0.373,0.8,1.0,0.4249708724556233,0.30379172092385714,0.7373552189705983,0.6859536700705915,0.5380178706051676
EOS-3-18502,COc1cc(-c2nc(C)no2)ccc1-c1cncc2nnc(-c3cnc(C(C)(F)F)nc3)n12,YIYKNSSWTSGELK-UHFFFAOYSA-N,3,1,0.337,82,478,450.409,3.727,5,0.395,0.72,1.0,0.6002501542046467,0.44117092728394214,0.4741621547529299,0.24236686998834897,0.4394875265574669
EOS-3-18503,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)n1,IVMYJOLYGMXLGE-UHFFFAOYSA-N,3,1,0.5,75,496,430.859,3.313,5,0.378,0.72,1.0,0.6705417723254061,0.717788362689329,0.4063549448290042,0.4290315948187239,0.5559291686656158
EOS-3-18504,Cc1cn[nH]c1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)c1,QTWCSUBBDANMGD-UHFFFAOYSA-N,3,1,0.402,96,46,431.406,3.534,5,0.452,0.69,0.997,0.2848845178534713,0.30875197039270785,0.7844476046878213,0.7456737029675827,0.5309394489753958
EOS-3-18505,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OCc4ccc(C)nc4)n23)cc1,PTPGKFDNQXURPI-UHFFFAOYSA-N,3,1,0.467,62,124,451.49,3.495,5,0.421,0.66,1.0,0.29045301898430537,0.1002244534301967,0.40955897471043795,0.2133249948598451,0.2533903604961963
EOS-3-18506,Cn1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)n2)n1,SEONTZKLNVWASN-UHFFFAOYSA-N,3,1,0.293,99,899,439.418,2.369,6,0.384,0.64,0.995,0.011385443081351518,0.11595332739359879,0.17176684257418956,0.19303851689397575,0.1230360324857789
EOS-3-18507,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnccc4-c4ccc(F)c(F)c4)n23)nn1,VIBPCVDQDAZZAL-UHFFFAOYSA-N,3,1,0.308,10,314,468.431,3.384,6,0.387,0.72,0.232,0.2476355287505997,0.3238040572955932,0.4813498046741142,0.566899115893359,0.40492212665341654
EOS-3-18508,FC(F)c1ncc(-c2cccc(-c3nnc4cncc(CCc5cccnc5)n34)c2)cn1,OLJYORVPIIQOCD-UHFFFAOYSA-N,3,1,0.389,14,886,429.434,4.366,5,0.399,0.78,1.0,0.32388972654375986,0.39529504489068606,0.6609810842300048,0.6161932012884654,0.49908976423822904
EOS-3-18509,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ncn2)c1,DNSAGNDWNWCNEM-UHFFFAOYSA-N,3,1,0.438,46,488,436.838,3.353,5,0.417,0.66,0.636,0.5918802686587622,0.5832019738194778,0.6285381399492838,0.6454406826125694,0.6122652662600232
EOS-3-18510,Cn1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)n1,NSJGXGXHSGLEAR-UHFFFAOYSA-N,3,1,0.483,36,258,453.388,3.033,5,0.386,0.71,0.999,0.6257196216846,0.7131964909875951,0.6687598519635392,0.5978514152559797,0.6513818449729285
EOS-3-18511,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)nc1,XUWZERZVSLFONN-UHFFFAOYSA-N,3,1,0.274,99,664,455.873,2.883,6,0.372,0.7,0.992,0.0074189568912343224,0.11935439654581591,0.17177540949900624,0.2335857720512645,0.13303363374683025
EOS-3-18512,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nncn6C)c5)n34)cc2)n(C)n1,QRUIGDLVLAPKME-UHFFFAOYSA-N,3,1,0.272,98,890,449.482,2.753,6,0.403,0.64,1.0,0.05434857103694058,0.03726612295250497,0.12320094578849976,0.11334041532451511,0.08203901377561511
EOS-3-18513,Fc1ccc(Cc2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n2)nc1,HKUORQJZBGLHAZ-UHFFFAOYSA-N,3,1,0.402,46,128,448.849,3.334,5,0.389,0.64,1.0,0.545027756836406,0.7177969296141457,0.4353282845589747,0.4971814817353163,0.5488336131862107
EOS-3-18514,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)c(F)c4)n23)cn1,JZYJZDWEUOSUPB-UHFFFAOYSA-N,3,1,0.307,42,369,439.414,3.443,6,0.411,0.67,1.0,0.282185936536221,0.28327393598793776,0.402671167157837,0.3972226029744363,0.341338410664108
EOS-3-18515,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)c(F)c1,KOLZPEZCGBRVGR-UHFFFAOYSA-N,3,1,0.424,26,379,436.838,3.353,5,0.39,0.7,1.0,0.6705503392502228,0.6741998492221233,0.5466554725515729,0.5603539853334247,0.6129399115893359
EOS-3-18516,Cc1cnnc(-c2cc(C#N)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)n1,YFYBCIKMTLIAFY-UHFFFAOYSA-N,3,1,0.57,15,393,435.451,2.84,5,0.395,0.66,1.0,0.8510211774381468,0.6068895209375642,0.3844321842231513,0.3367058460694949,0.5447621821670893
EOS-3-18517,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCc3ccccc3Cl)n12,FQUAULRUSHAJSL-UHFFFAOYSA-N,3,1,0.53,43,909,422.807,4.213,5,0.419,0.78,1.0,0.8902234253992187,0.9008207113974368,0.8260828592968268,0.8530601055445137,0.867546775409499
EOS-3-18518,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccccc6)cn5)n34)cc2)n1C,ZYFJGYBJKJELDE-UHFFFAOYSA-N,3,1,0.357,9,553,444.502,4.624,6,0.394,0.78,1.0,0.16738914399287233,0.05934308820505791,0.4167808923308889,0.4066205194983209,0.262533411006785
EOS-3-18519,Cn1cnc(-c2ccc(F)c(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)c2)cc1=O,NLGFIVYYSUVLAE-UHFFFAOYSA-N,3,1,0.442,59,469,465.395,2.943,5,0.393,0.69,1.0,0.5190271400178192,0.521845658282503,0.7946593790692893,0.7662857240764855,0.6504544753615242
EOS-3-18520,Cc1n[nH]c(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)ccn2)n1,DUAKRFQIQVIKED-UHFFFAOYSA-N,3,1,0.257,99,286,436.443,2.137,6,0.44,0.61,1.0,0.09743163593996298,0.05545370433829073,0.04937118771845658,0.042440545541772325,0.06117426838462065
EOS-3-18521,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cccnc6)cn5)n34)cn2)ccn1,LPWHADDEMMIESG-UHFFFAOYSA-N,3,1,0.306,42,723,447.437,3.906,6,0.375,0.72,1.0,0.27391028716331983,0.3576862449455144,0.5396991296004386,0.5603625522582414,0.4329145534918786
EOS-3-18522,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)nn1C,NEBFRQCMKMVVKY-UHFFFAOYSA-N,3,1,0.585,4,506,432.875,3.523,5,0.419,0.69,1.0,0.3734836543074498,0.4676941265163457,0.22994482900418067,0.25102803097800014,0.33053766020149405
EOS-3-18523,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3cncnc3-c3ccccn3)n12,ZZXLZKXIULJXNJ-UHFFFAOYSA-N,3,1,0.411,13,724,437.797,4.367,5,0.412,0.72,1.0,0.7036443698170105,0.7498971969022,0.7994311561921733,0.832242478240011,0.7713038002878487
EOS-3-18524,Cc1csc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)n1,XNONDHWUXLNLFM-UHFFFAOYSA-N,3,1,0.524,72,506,435.9,4.246,5,0.407,0.79,1.0,0.4964618600507162,0.5726560893701597,0.29514769378383937,0.3270337879514769,0.422824857789048
EOS-3-18525,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5ncc(F)nn5)nn4)n23)cc1,RPWVMYVAYDYLTL-UHFFFAOYSA-N,3,1,0.366,8,882,453.405,1.43,6,0.381,0.62,1.0,0.12337228428483311,0.197621821670893,0.028330820368720443,0.042449112466588994,0.09794350969775889
EOS-3-18526,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)nc2)nc1,AFCLGOKRBRMEJS-UHFFFAOYSA-N,3,1,0.349,32,687,434.488,4.434,6,0.405,0.77,1.0,0.0494996915907066,0.12281543417174971,0.3133695428688918,0.33671441299431154,0.20559977040641492
EOS-3-18527,Cn1nc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ccnc(C#N)c4)nc3)n12,WAAJYFWSYJMAJF-UHFFFAOYSA-N,3,1,0.426,4,617,443.858,3.086,5,0.406,0.69,1.0,0.43378623809197453,0.5726646562949763,0.467582756493729,0.44811013638544306,0.48053594681653067
EOS-3-18528,N#Cc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)c1,XWDSDSXQCCHCMP-UHFFFAOYSA-N,3,1,0.444,18,840,420.436,3.136,5,0.411,0.72,1.0,0.557766774038791,0.48511925159344804,0.3991158933589199,0.4194880405729559,0.46537248989102875
EOS-3-18529,Fc1ccc(-c2cnncn2)cc1-c1cncc2nnc(-c3cncnc3-c3ccccn3)n12,RCVSVEWDGDFZKQ-UHFFFAOYSA-N,3,1,0.283,94,615,448.425,3.301,6,0.4,0.65,0.791,0.24471420738811597,0.3329449660749777,0.45692550202179427,0.5005225824138168,0.38377681447467615
EOS-3-18530,Cn1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(CF)c5)n34)cn2)n1,GRBABOZRMKHGNS-UHFFFAOYSA-N,3,1,0.523,16,134,450.865,3.684,5,0.389,0.71,0.691,0.6705589061750394,0.7269378383935302,0.595187101637996,0.5701888150229594,0.6407181653073812
EOS-3-18531,c1cc(-c2nn[nH]n2)nc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1,SXQWRQLICRBRCX-UHFFFAOYSA-N,3,1,0.312,38,193,418.424,3.095,6,0.463,0.69,1.0,0.09044959221437873,0.14057466931670207,0.29164382153382223,0.34949626482077994,0.21804108697142077
EOS-3-18532,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)c(C)n1,NSOFLHVRLDAXIS-UHFFFAOYSA-N,3,1,0.576,35,426,441.47,4.021,5,0.393,0.69,1.0,0.9129771777122884,0.8351038311287781,0.4569340689466109,0.39723116989925294,0.6505615619217326
EOS-3-18533,CCOc1cnc(-c2cc(-c3nnc4cncc(Cc5ccc(C)nc5)n34)ccc2C)cn1,YIEBYTYCAOXMJM-UHFFFAOYSA-N,3,1,0.4,85,357,437.507,4.25,5,0.392,0.74,1.0,0.30099890343362345,0.19301281611952573,0.42042183537797273,0.26901857309300253,0.2958630320060311
EOS-3-18534,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)cn1,MMMLFFMWHCWOCG-UHFFFAOYSA-N,3,1,0.464,18,840,427.443,3.712,5,0.382,0.75,1.0,0.7252501542046467,0.659584675484888,0.5985710369405798,0.5238503186896032,0.6268140463299293
EOS-3-18535,Cn1cc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,FHMGAAQLOYMHKM-UHFFFAOYSA-N,3,1,0.615,43,372,452.305,4.473,5,0.391,0.77,1.0,0.7036529367418272,0.8612158179699815,0.8014872181481736,0.8530686724693304,0.8048561613323282
EOS-3-18536,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)nn1,UKZCINHIUZFOKP-UHFFFAOYSA-N,3,1,0.529,4,32,431.847,2.974,5,0.413,0.62,1.0,0.7036615036666438,0.9057209923925708,0.19823007333287643,0.260057569734768,0.5169175347817148
EOS-3-18537,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)n1C,FABCROJBZGZLEU-UHFFFAOYSA-N,3,1,0.305,99,812,449.482,2.753,6,0.403,0.63,1.0,0.10505619902679735,0.031226440956754163,0.04754643273250634,0.03988760194640532,0.055929168665615786
EOS-3-18538,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1,HWJOXRFYWXNXIQ-UHFFFAOYSA-N,3,1,0.536,59,630,436.397,4.188,5,0.387,0.76,1.0,0.6644249880063052,0.6595932424097046,0.9536101021177438,0.9324155301213076,0.8025109656637653
EOS-3-18539,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(C)c(F)c5)n34)nc2)no1,NMSOXXCIJVGZMK-UHFFFAOYSA-N,3,1,0.482,51,969,418.392,2.966,5,0.424,0.79,1.0,0.6228925364950997,0.6167072167774655,0.20873312315811116,0.18210712082790761,0.40760999931464603
EOS-3-18540,COC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccsc5)c4)n23)c(F)c1,KAFLNAZTWUDAPQ-UHFFFAOYSA-N,3,1,0.34,82,859,431.452,4.508,5,0.39,0.82,1.0,0.31897231169899254,0.3478771160304297,0.7244705640463299,0.6510948529915701,0.5106037111918306
EOS-3-18541,OCc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)ccn2)ccc1F,OGNZCYZCELWCGZ-UHFFFAOYSA-N,3,1,0.489,97,183,446.417,3.598,5,0.426,0.72,1.0,0.8664416421081489,0.6596018093345213,0.9021400178192036,0.8726098279761497,0.8251983243095058
EOS-3-18542,COc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)cc5)n34)c2)cn1,JTUKAKSFXGBEFY-UHFFFAOYSA-N,3,1,0.59,19,207,443.442,3.413,5,0.377,0.7,1.0,0.706908368172161,0.6020749091905969,0.5766140086354602,0.4910218627921321,0.5941547871975876
EOS-3-18543,COc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)cn1,BSFCSYXWCKVOSR-UHFFFAOYSA-N,3,1,0.512,13,417,448.845,4.842,5,0.38,0.84,1.0,0.912985744637105,0.9433297923377424,0.8783153999040504,0.8262970324172435,0.8902319923240353
EOS-3-18544,Cc1nccc(-n2nnc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)n2)n1,YIPUGOPDGLPRPC-UHFFFAOYSA-N,3,1,0.297,10,507,452.417,2.129,6,0.391,0.63,0.743,0.024098759509286548,0.1264392433692002,0.055042491947090676,0.10211774381468028,0.07692455966006442
EOS-3-18545,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)ccn2)cn1,WQBKDVHEDDMUMF-UHFFFAOYSA-N,3,1,0.5,73,980,435.369,3.64,5,0.389,0.7,1.0,0.8574206702761976,0.8243266397094099,0.8745887876088,0.8562470015763142,0.8531457747926805
EOS-3-18546,N#Cc1cc(F)cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)c1,RBNPOBLNXBUJOS-UHFFFAOYSA-N,3,1,0.349,8,973,451.385,2.495,6,0.391,0.66,1.0,0.18141319991775753,0.2524929751216503,0.3060533890754575,0.3882101980673018,0.2820424405455418
EOS-3-18547,COc1cc(-c2nnc3cncc(OCc4cccc(C#N)n4)n23)ccc1-c1cnccn1,GIULGLQFPYDMSV-UHFFFAOYSA-N,3,1,0.495,4,248,436.435,3.103,5,0.395,0.69,1.0,0.5528065245699404,0.44575423206085946,0.5397076965252553,0.38821876499211844,0.48162180453704345
EOS-3-18548,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)nc1,LOYSQDUGCIEABA-UHFFFAOYSA-N,3,1,0.323,10,952,419.412,2.286,6,0.423,0.73,1.0,0.01302172572133507,0.040847097525872116,0.0567644438352409,0.09004694674799534,0.05017005345761086
EOS-3-18549,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cncs5)n4)n23)cc1,XAALDIYJDPKTFZ-UHFFFAOYSA-N,3,1,0.304,8,890,439.468,2.562,6,0.407,0.62,1.0,0.07460078130354328,0.10357412103351381,0.06067096155164142,0.0794667945994106,0.07957816462202727
EOS-3-18550,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)c(F)c1,KAMXIFLFLBMJCH-UHFFFAOYSA-N,3,1,0.329,42,369,451.469,3.793,6,0.405,0.69,1.0,0.25804434240285107,0.32381262422040985,0.4535329997943938,0.42581043108765676,0.36530009937632785
EOS-3-18552,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nccn5C)c4)n23)c(Cl)c1,GEACOYBXKZRRFI-UHFFFAOYSA-N,3,1,0.494,16,256,431.887,4.128,5,0.416,0.72,1.0,0.6117983688575149,0.5928568980878623,0.6050304982523473,0.5763998355150435,0.596521400178192
EOS-3-18553,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)cc4Cl)n23)nc1,FDHXIOQSXDNTAL-UHFFFAOYSA-N,3,1,0.541,4,353,431.887,4.128,5,0.416,0.72,1.0,0.5065279967103009,0.6020834761154136,0.5498595024330066,0.5073332876430676,0.5414510657254472
EOS-3-18554,COc1ncc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)cc1-c1cccnc1,RDEFLUFYQAFTMP-UHFFFAOYSA-N,3,1,0.411,14,358,446.873,4.64,5,0.391,0.79,0.999,0.5372575560276883,0.6448409978754026,0.8497618394900966,0.8362432321293949,0.7170259063806456
EOS-3-18555,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cc4F)n23)cc1C,FJQWCBYKMIELBO-UHFFFAOYSA-N,3,1,0.35,83,3,455.468,5.072,5,0.411,0.86,1.0,0.3980964293057364,0.3526231923788637,0.9009749160441368,0.8767562195874169,0.6321126893290385
EOS-3-18556,CCn1ccnc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,UOCYDGPHABVXIG-UHFFFAOYSA-N,3,1,0.583,35,393,429.459,3.83,5,0.391,0.74,1.0,0.5424405455417723,0.41913679665547254,0.49152731135631555,0.43822390514700843,0.4728321396751422
EOS-3-18557,Cc1c(-c2cc(F)c(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(F)c2)nnn1C,YSUASKHTGNXVHH-UHFFFAOYSA-N,3,1,0.404,14,740,460.448,2.863,5,0.431,0.62,0.821,0.17270920430402303,0.21179151531766158,0.4167894592557056,0.36884894798163254,0.2925347817147557
EOS-3-18558,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)c1,RFVDGEOLRXGWOT-UHFFFAOYSA-N,3,1,0.429,46,1,419.395,3.444,5,0.434,0.73,1.0,0.5164741964224522,0.3767219518881502,0.794667945994106,0.7637413474059351,0.6129013604276609
EOS-3-18559,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nnn(C)n5)cn4)n23)nc1,MRFQEONHJCAKEL-UHFFFAOYSA-N,3,1,0.277,33,918,414.393,0.193,5,0.431,0.76,0.997,0.08107737646494415,0.026052018367486808,0.006562264409567541,0.0016619834144335549,0.02883841066410801
EOS-3-18560,c1cc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)ccn1,DSWXNDGXNZOGJR-UHFFFAOYSA-N,3,1,0.291,94,165,431.423,2.557,6,0.41,0.65,0.973,0.0998218079638133,0.07433520663422657,0.21557809608662876,0.24237543691316565,0.1580276368994586
EOS-3-18561,c1cc(-c2cncnc2)nc(-c2cncc3nnc(-c4cncnc4-c4cncnc4)n23)c1,NHDHVWPDHSULMD-UHFFFAOYSA-N,3,1,0.282,94,165,431.423,2.557,6,0.41,0.64,0.908,0.07884140908779384,0.09405626756219587,0.20159687478582689,0.22180625042834623,0.14907520046604072
EOS-3-18563,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4)n23)nc1,AVRMDNKGTSARSR-UHFFFAOYSA-N,3,1,0.289,33,432,411.429,2.008,5,0.481,0.81,0.999,0.12338085120964978,0.031235007881570832,0.10622130080186416,0.055736412857240764,0.07914339318758137
EOS-3-18564,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)nn(C)c5=O)ccn4)n23)nn1,AXSJHZSSBHBOKS-UHFFFAOYSA-N,3,1,0.419,53,587,441.455,1.933,5,0.402,0.65,1.0,0.1727177712288397,0.07774484271126036,0.06654787197587554,0.04245767939140566,0.08986704132684531
EOS-3-18565,COc1nc(-c2cnccc2F)ccc1-c1nnc2cncc(OCc3cnccn3)n12,YZCDQJZNKLRZEQ-UHFFFAOYSA-N,3,1,0.456,7,815,430.403,2.765,5,0.401,0.68,1.0,0.5800579124117606,0.5633609759440751,0.342685559591529,0.26631999177575216,0.4381061099307792
EOS-3-18566,Cc1ccc(-c2nnc3cncc(-c4ncc(-c5cc(F)cc(F)c5F)nn4)n23)cc1,CEYVKMVLWHNFTL-UHFFFAOYSA-N,3,1,0.395,45,316,419.37,4.036,5,0.411,0.79,0.999,0.4155215543828387,0.592865465012679,0.8463779041875128,0.8753512439174834,0.6825290418751285
EOS-3-18567,Cn1ccc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cncs5)n34)c2)n1,LDRACURHODHVIN-UHFFFAOYSA-N,3,1,0.56,35,619,437.916,3.923,5,0.4,0.7,1.0,0.4572596120896443,0.5780018504557604,0.38805599342060176,0.4131570831334384,0.4591186347748612
EOS-3-18568,Cc1ccccc1COc1ccc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cn1,NJFNLROFISPBNL-UHFFFAOYSA-N,3,1,0.529,1,744,442.454,4.187,5,0.374,0.81,1.0,0.6488588856144198,0.6937067370296758,0.7244791309711466,0.610144952367898,0.669297426495785
EOS-3-18569,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnnn6C)cc5)n34)s2)nn1,FVQKJZWAEBSULI-UHFFFAOYSA-N,3,1,0.31,98,865,440.496,3.111,6,0.415,0.64,1.0,0.05263518607360702,0.07775340963607703,0.13770474950311837,0.14475532862723597,0.1032121684600096
EOS-3-18570,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cc(F)c(C)nc5C)n34)nc2)ncc1F,ZHEASGWUKVVTAF-UHFFFAOYSA-N,3,1,0.31,50,155,430.422,3.909,5,0.428,0.65,1.0,0.38729353711191833,0.40506133918168735,0.3915598656706189,0.3495048317455966,0.3833548934274553
EOS-3-18571,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4cc(F)c(-c5cccc(F)c5)cn4)n23)nc1,QOKIGVLUPQROIO-UHFFFAOYSA-N,3,1,0.314,10,314,468.431,3.384,6,0.387,0.69,1.0,0.189937290110342,0.262739017202385,0.4026797340826537,0.5005311493386334,0.3389717976835035
EOS-3-18572,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cc2)n1,MMMQGLPLBKWGHB-UHFFFAOYSA-N,3,1,0.653,43,96,434.862,4.563,5,0.405,0.76,1.0,0.8902319923240354,0.934831402919608,0.8952607771914194,0.8837896648619011,0.9010284593242409
EOS-3-18573,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,JKMJQGJWHIXBPP-UHFFFAOYSA-N,3,1,0.703,43,623,418.407,4.049,5,0.431,0.81,1.0,0.7190819683366458,0.630337194160784,0.9151360427660887,0.8866681516003015,0.787805839215955
EOS-3-18574,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncc(C#N)c5)n4)n23)cn1,NSZJDVIGKVKFCZ-UHFFFAOYSA-N,3,1,0.451,7,85,421.424,2.797,5,0.421,0.72,1.0,0.5663508327050922,0.5446336782948393,0.42437118771845656,0.3556644506887808,0.4727550373517922
EOS-3-18575,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)nc2)c1,TZPDXQFIZYREPN-UHFFFAOYSA-N,3,1,0.337,32,20,448.465,4.455,6,0.396,0.77,1.0,0.17272633815365637,0.28847405935165515,0.6687684188883558,0.6831779864299911,0.4532867007059146
EOS-3-18576,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nn1,LNKGCVNRTSLSFK-UHFFFAOYSA-N,3,1,0.333,3,115,425.387,3.228,6,0.423,0.68,1.0,0.0852923034747447,0.1930213830443424,0.39156843259543556,0.45748235213487765,0.2818411178123501
EOS-3-18577,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ncc(F)cc5F)[nH]4)n23)nc1,PJCDRDJHMIWYIA-UHFFFAOYSA-N,3,1,0.288,50,407,457.408,2.712,6,0.428,0.65,0.714,0.22279144678226304,0.252501542046467,0.2988743060790898,0.35567301761359743,0.28246007813035434
EOS-3-18578,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4)n23)cn1,ZZIPXBPGPBJYNC-UHFFFAOYSA-N,3,1,0.537,68,127,422.317,4.117,4,0.451,0.76,1.0,0.8750599684737167,0.8832413816736344,0.9909019258446988,0.9608491535878281,0.9275131073949694
EOS-3-18579,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccncc6)ncn5)n34)cc2)n1C,XBRRWFMOFSCHKY-UHFFFAOYSA-N,3,1,0.322,38,193,445.49,4.019,6,0.404,0.68,1.0,0.10247755465698033,0.034430470838187927,0.4095675416352546,0.34951339867041326,0.22399724145020905
EOS-3-18580,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccccn6)n5)n34)nc2)n1C,JAEQXKRUPKMQGW-UHFFFAOYSA-N,3,1,0.316,76,368,445.49,4.019,6,0.404,0.68,0.986,0.07884997601261051,0.04812041669522308,0.2407391542731821,0.21620348159824548,0.14597825714481527
EOS-3-18581,Cc1ccc(Oc2cncc3nnc(-c4ccc(-c5ncnc(C)n5)c(F)c4)n23)c(F)n1,VEEKXDPAYIQMSE-UHFFFAOYSA-N,3,1,0.44,13,374,432.394,3.726,5,0.396,0.7,1.0,0.8686604756356658,0.8007675964635734,0.5533890754574737,0.45434685765197724,0.6692910013021726
EOS-3-18582,Cc1ncncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1F,SOHMLCHYNGGICP-UHFFFAOYSA-N,3,1,0.529,16,253,431.406,3.809,5,0.391,0.74,0.967,0.9003323966828867,0.7797186621890206,0.8260914262216434,0.7662942910013022,0.8181091940237133
EOS-3-18583,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)s1,OQPANUHIUZIUGF-UHFFFAOYSA-N,3,1,0.336,52,776,471.521,4.317,6,0.41,0.8,0.991,0.07460934822835995,0.2167346309368789,0.1037368926050305,0.20121136316907684,0.14907305873483656
EOS-3-18584,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3cc(-c4ccccn4)ncn3)n12,CNYMGEZVGRIVJZ-UHFFFAOYSA-N,3,1,0.435,44,488,451.824,4.154,5,0.371,0.76,0.997,0.7462648207799328,0.7178054965389624,0.8334932492632444,0.853077239394147,0.7876602014940717
EOS-3-18585,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5CO)n34)c(F)c2)nc1,UKADDEMEBMUPEX-UHFFFAOYSA-N,3,1,0.326,96,46,445.429,4.299,5,0.434,0.69,0.996,0.6118069357823316,0.7178140634637791,0.9356880954012747,0.9081711328901377,0.7933700568843808
EOS-3-18586,Cc1ccc(-c2nnc3cncc(CCc4c(F)cc(F)cc4OCCCN)n23)cc1,KVOOGXKZCSGKQQ-UHFFFAOYSA-N,3,1,0.423,0,646,423.467,3.891,4,0.435,0.73,1.0,0.5139298197519019,0.3953036118155027,0.6228497018710164,0.622010143238983,0.538523319169351
EOS-3-18587,Cc1cc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5nccn5C)n34)cn2)ccn1,RGOWMQSCVXUNNA-UHFFFAOYSA-N,3,1,0.264,86,151,434.467,3.143,6,0.42,0.65,1.0,0.001122267150983483,0.006056815845384141,0.16854567884312247,0.14725687067370297,0.08074540812829827
EOS-3-18589,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cn2)o1,CRMBREACNWPJDU-UHFFFAOYSA-N,3,1,0.302,10,952,421.424,3.397,6,0.426,0.74,0.987,0.021845658282502914,0.04812898362003975,0.12863237612226716,0.1548814337605373,0.08837211294633679
EOS-3-18590,COc1cncc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)c2)n1,SYFGBUJDRGGKEH-UHFFFAOYSA-N,3,1,0.3,64,495,459.473,3.776,6,0.38,0.71,1.0,0.33158282502912756,0.12972037557398397,0.2771143170447536,0.2663285587005688,0.2511865190871085
EOS-3-18591,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4)n23)c(-c2ccc(Cl)cc2)n1,VYAAIISZNLVUCE-UHFFFAOYSA-N,3,1,0.326,42,693,453.897,4.297,6,0.427,0.71,1.0,0.12914639161126723,0.3138664245082585,0.48485367692413134,0.560371119183058,0.3720594030566788
EOS-3-18592,Cc1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1nccn1C,JKQUJWCWTVPLSU-UHFFFAOYSA-N,3,1,0.429,31,690,430.447,3.051,5,0.408,0.67,0.999,0.5552737989171407,0.47194332122541294,0.1717839764238229,0.15229422246590363,0.33782382975807
EOS-3-18593,CCn1c(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cnc1C,VLDXHMQBPSUTOQ-UHFFFAOYSA-N,3,1,0.267,10,195,447.506,4.231,6,0.393,0.72,0.994,0.017999109039819067,0.04444520594887259,0.21915050373517922,0.21333356178466178,0.12373209512713317
EOS-3-18595,Fc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)nn2)c1,HPBZYWHSXDLTHY-UHFFFAOYSA-N,3,1,0.421,54,411,433.382,2.333,5,0.398,0.63,0.941,0.6341409087793846,0.578010417380577,0.24074772119799875,0.3084435610993078,0.440335652114317
EOS-3-18596,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)cn1,MCIRRYFIFBKZGT-UHFFFAOYSA-N,3,1,0.54,35,161,449.396,3.682,5,0.391,0.68,1.0,0.9589044616544445,0.946927900760743,0.8479542183537797,0.8362517990542115,0.8975095949557946
EOS-3-18597,Fc1cnc(-c2ccc(F)c(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)nc1,YFEODWMYMXLNHX-UHFFFAOYSA-N,3,1,0.566,73,161,449.396,3.682,5,0.391,0.68,1.0,0.9379240627784251,0.9348399698444246,0.7905472551572887,0.7875402645466384,0.8627128880816942
EOS-3-18598,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5nncn5C)no4)n23)cc1,QEYIHXSWZAWTQD-UHFFFAOYSA-N,3,1,0.374,74,740,415.417,1.525,5,0.457,0.73,0.999,0.15662908642313755,0.09712322664656295,0.04124117606743883,0.020483517236652732,0.07886925159344801
EOS-3-18599,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)nc1,YAQKRZQKVCHFKE-UHFFFAOYSA-N,3,1,0.557,24,162,433.834,4.015,5,0.413,0.68,1.0,0.7282657117401138,0.8385220341306284,0.6961568775272429,0.7270406414913303,0.7474963162223288
EOS-3-18600,CCc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,QBUIZKYZTTWIGJ-UHFFFAOYSA-N,3,1,0.311,63,66,414.473,2.839,6,0.52,0.76,1.0,0.03222020423548763,0.04813755054485642,0.002672880542800356,0.00645089438695086,0.022370382427523816
EOS-3-18601,Cc1ncc(-c2ccccn2)c(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)n1,MXHBGZGUPJLLSS-UHFFFAOYSA-N,3,1,0.284,10,195,431.463,3.804,6,0.418,0.66,0.999,0.009269412651634569,0.006065382770200809,0.21915907065999587,0.2571276814474676,0.12290538688232472
EOS-3-18602,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5F)n34)nc2)n1,BMAUBJUXHVCDMP-UHFFFAOYSA-N,3,1,0.313,98,882,454.433,1.978,6,0.392,0.64,1.0,0.18419745048317457,0.2884826262764718,0.09855390309094647,0.11563635117538208,0.17171758275649374
EOS-3-18603,Cn1nc(-c2cccs2)nc1-c1cncc2nnc(-c3ccc(-c4ncc(F)cn4)cc3)n12,UOPZWLHLMMDQCM-UHFFFAOYSA-N,3,1,0.329,8,635,455.482,3.911,6,0.397,0.68,1.0,0.17837194160784045,0.3138749914330752,0.13771331642793502,0.1930470838187924,0.20575183332191077
EOS-3-18604,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)cc1Cl,HCZIORNMGMEYOY-UHFFFAOYSA-N,3,1,0.418,54,411,434.822,3.41,5,0.387,0.69,0.956,0.7577273661846343,0.6550270714824207,0.5163285587005688,0.5636779521622918,0.6231902371324789
EOS-3-18605,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)nn1)N1CCCCCC1,JISLQBLOBPLPRX-UHFFFAOYSA-N,3,1,0.359,52,546,477.532,3.722,6,0.385,0.81,0.967,0.024107326434103214,0.006665067507367555,0.0004197793160167226,0.003409636077033788,0.008650452333630319
EOS-3-18606,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)cc1,AYCFFBPFAHXIDZ-UHFFFAOYSA-N,3,1,0.477,27,343,432.394,3.555,5,0.401,0.66,1.0,0.7812007401823041,0.6303457610856007,0.7013227331916935,0.6511034199163868,0.6909931635939963
EOS-3-18607,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,HBDZVZPJPOHYPU-UHFFFAOYSA-N,3,1,0.402,46,1,433.422,3.927,5,0.404,0.7,0.992,0.5065365636351176,0.3431224727571791,0.7498372284284833,0.6999348913713933,0.5748577890480433
EOS-3-18608,Cn1ncc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1-c1ccc(F)cc1,ZFIVGRPTLCYESJ-UHFFFAOYSA-N,3,1,0.561,16,772,435.85,3.958,5,0.415,0.7,1.0,0.5397505311493387,0.5590432458364746,0.6961654444520595,0.7533925022274005,0.6370879309163183
EOS-3-18609,COc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(C)cn5)n34)nn2C)cc1F,FZDJTZTUTNUGDK-UHFFFAOYSA-N,3,1,0.365,51,694,447.434,2.412,5,0.387,0.66,0.997,0.3238982934685765,0.24764409567541634,0.12864094304708382,0.06822698923994243,0.19210258035775477
EOS-3-18610,Cn1cc(-c2cccc(-c3nnc4cncc(Oc5cc(Cl)ccc5F)n34)c2)nn1,PPANNOKGGWJBCY-UHFFFAOYSA-N,3,1,0.512,13,145,421.823,4.172,5,0.433,0.77,1.0,0.42027619765608937,0.6255397162634501,0.7636042766088684,0.7968011102734562,0.651555325200466
EOS-3-18611,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(C(F)F)cn4)n23)cn1,SZPOCFHMMICJLP-UHFFFAOYSA-N,3,1,0.418,51,48,435.398,2.893,5,0.401,0.65,1.0,0.5830563360975944,0.5171766842574189,0.42437975464327327,0.33339044616544444,0.4645008052909328
EOS-3-18612,Cn1cc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)c2)cn1,FPDWKWKYNJLIMV-UHFFFAOYSA-N,3,1,0.289,86,967,432.451,3.106,6,0.418,0.65,0.969,0.027508395586320334,0.010314577479268042,0.20530635323144403,0.2245048317455966,0.11690853951065724
EOS-3-18614,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncnn6C)n5)n34)nc2)o1,BZSXGARSYYBGEV-UHFFFAOYSA-N,3,1,0.283,76,387,436.439,3.007,6,0.41,0.64,0.983,0.045027756836406,0.019258446987869233,0.0892587896648619,0.07382975807004317,0.056843687889795075
EOS-3-18615,O=C(O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C(F)F)c5)ncn4)n23)c(F)n1,HKTNBONAHXRXRC-UHFFFAOYSA-N,3,1,0.271,50,243,453.344,2.739,5,0.398,0.65,0.905,0.15111198684120347,0.20698547049551094,0.5018761565348503,0.3817850044548009,0.3104396545815914
EOS-3-18616,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)nn1,JAVSCUZBBHKEEV-UHFFFAOYSA-N,3,1,0.351,3,620,452.869,3.544,6,0.399,0.67,0.999,0.020946131176752793,0.17145843328078952,0.30242101295319035,0.4258189980124734,0.2301611438558015
EOS-3-18617,c1cnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccnnc6)n5)n34)nc2)cn1,BELFFJGNYPBZNC-UHFFFAOYSA-N,3,1,0.247,86,421,432.411,1.952,6,0.402,0.63,1.0,0.08108594338976081,0.0909379069289288,0.10103831128778014,0.1268333219107669,0.09997387087930916
EOS-3-18618,CC(F)c1ncc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)cc1F,SEJLLXSXUXXTGX-UHFFFAOYSA-N,3,1,0.341,82,478,433.397,4.619,5,0.411,0.75,0.922,0.3364659721746282,0.49928894524021655,0.9179202933315057,0.8962802412446028,0.6624888629977383
EOS-3-18619,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)n1,IVIBUKNAWGDLAV-UHFFFAOYSA-N,3,1,0.348,38,865,432.451,3.106,6,0.418,0.64,1.0,0.08109451031457748,0.0670361866904256,0.22995339592899733,0.23066445068878075,0.1521871359056953
EOS-3-18620,Fc1ccc(F)c(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)c1,YGFTWNZUVMWNLN-UHFFFAOYSA-N,3,1,0.289,10,827,455.392,2.564,6,0.394,0.65,0.339,0.00742752381605099,0.12972894249880063,0.16218902062915497,0.33017784935919403,0.15738083407580017
EOS-3-18621,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)c(F)c1,OHFHHDPJMOHDEG-UHFFFAOYSA-N,3,1,0.294,39,449,466.415,3.441,6,0.385,0.68,0.998,0.27646323075868684,0.3238211911452265,0.501884723459667,0.5857806181892947,0.4219874408882187
EOS-3-18622,Fc1cccc(-c2nncnc2-c2cncc3nnc(-c4nccnc4-c4cncc(F)c4)n23)c1,RKTGAYKAMXJVCY-UHFFFAOYSA-N,3,1,0.3,39,972,466.415,3.441,6,0.385,0.68,0.986,0.2580529093276677,0.26274758412720167,0.37314954423959973,0.5207662257556027,0.35367906586251796
EOS-3-18623,Fc1cc(CCOc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1Cl,LXEQWJYXAYHQMS-UHFFFAOYSA-N,3,1,0.873,90,281,419.794,4.538,4,0.459,0.8,1.0,0.989634020971832,0.9895997532725653,0.9718833527516962,0.964978411349462,0.9790238845863889
EOS-3-18624,c1cncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccnc6)n5)n34)cn2)c1,OVZJIZPBMCOCLP-UHFFFAOYSA-N,3,1,0.296,42,899,418.424,2.891,6,0.429,0.71,0.946,0.026291892262353504,0.04085566445068878,0.20160544171064354,0.23359433897608115,0.12558683434994175
EOS-3-18625,c1ccc(-n2cnc(-c3cncc4nnc(-c5ncncc5-c5cccnc5)n34)n2)cc1,ZJGRRFWVTSLIJT-UHFFFAOYSA-N,3,1,0.241,10,871,418.424,2.891,6,0.429,0.71,0.973,0.008541224042217806,0.009329381125351244,0.1377218833527517,0.2012199300938935,0.08920310465355356
EOS-3-18626,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)c1,OVKCAXSRBFJIAL-UHFFFAOYSA-N,3,1,0.733,91,309,428.471,4.261,5,0.404,0.77,1.0,0.6488674525392365,0.7085103831128778,0.6550613391816873,0.5950243300664794,0.6518658762250702
EOS-3-18627,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cn2)o1,XVULFCRBDBLSPG-UHFFFAOYSA-N,3,1,0.738,84,360,434.406,4.049,5,0.398,0.74,1.0,0.9325954355424577,0.845444109382496,0.7522016996778836,0.6859622369954081,0.8040508703995614
EOS-3-18628,Fc1ncc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,KMYWIPAWPYPKHT-UHFFFAOYSA-N,3,1,0.463,58,786,448.849,3.452,5,0.389,0.7,0.997,0.8415547255157289,0.8807227057775341,0.29888287300390654,0.3688575149064492,0.5975044548009046
EOS-3-18629,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1F,FDBRXFQVUXNXNV-UHFFFAOYSA-N,3,1,0.483,73,526,454.828,3.492,5,0.401,0.68,0.994,0.6034541840860804,0.6840089781372078,0.6437444314988692,0.6886865190871085,0.6549735282023166
EOS-3-18630,Cc1cn(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cc2)cn1,DTZYVABBAYBTKQ-UHFFFAOYSA-N,3,1,0.238,64,495,431.463,3.804,6,0.418,0.68,1.0,0.03756596532108834,0.0050459187170173395,0.3280789527791104,0.3301864162840107,0.1752193132753067
EOS-3-18631,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)c2)cc1F,APHNRGBEAKMDFV-UHFFFAOYSA-N,3,1,0.441,88,503,465.851,4.196,5,0.371,0.77,1.0,0.7609485299157015,0.7840963607703378,0.779967103008704,0.8421886779521623,0.7918001679117264
EOS-3-18632,FC(F)Cc1ncc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cn1,DIMTXYPCBJBUAI-UHFFFAOYSA-N,3,1,0.402,51,855,448.397,2.215,5,0.365,0.66,1.0,0.5296843944897539,0.5400332396682886,0.302429579878007,0.2542063600849839,0.40658839353025833
EOS-3-18633,COCc1ncc(COc2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cn1,VMNVRJDDWWEVKB-UHFFFAOYSA-N,3,1,0.441,46,62,445.418,2.298,5,0.368,0.67,1.0,0.49152731135631555,0.45008052909327667,0.16855424576793915,0.18211568775272427,0.32306944349256395
EOS-3-18634,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)n1C,YVPNZQFHBNVCAD-UHFFFAOYSA-N,3,1,0.324,38,193,445.49,4.019,6,0.404,0.69,1.0,0.08110307723939415,0.0707370982112261,0.19481187033102598,0.23953121787403195,0.14654581591391955
EOS-3-18635,c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c(Oc2cnccn2)c1,DPATYNCMWZLQMF-UHFFFAOYSA-N,3,1,0.289,64,596,445.446,3.893,6,0.389,0.71,1.0,0.2662000548283188,0.1297375094236173,0.39912446028373655,0.3590912206154479,0.2885383112877802
EOS-3-18636,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cn2)c1,JEMGDSXDXRAXNW-UHFFFAOYSA-N,3,1,0.292,10,705,453.416,3.774,6,0.401,0.67,0.971,0.04208930162428894,0.21180008224247823,0.6343465149749846,0.7112517990542115,0.39987192447399084
EOS-3-18637,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnn(C)n5)c4)n23)ccc1Cl,ZYPQUYIBFBVZKC-UHFFFAOYSA-N,3,1,0.58,43,258,450.865,3.662,5,0.403,0.72,1.0,0.7069169350969776,0.8454526763073127,0.605039065177164,0.639598039887602,0.699251679117264
EOS-3-18638,COCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cn4)n23)cc1,ICWTXMZJMIQSPN-UHFFFAOYSA-N,3,1,0.34,0,175,485.548,2.856,5,0.4,0.88,1.0,0.05961722979919128,0.0008395586320334452,0.0021331642793502846,0.002861352888767048,0.016362826399835512
EOS-3-18639,Cc1nnc(-c2ccc(Cl)c(CCc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)n1C,MWSKBCDSPBTBBC-UHFFFAOYSA-N,3,1,0.388,85,784,473.928,2.828,5,0.401,0.74,1.0,0.25806147625248443,0.3191350832705092,0.08439277636899459,0.10001884723459667,0.1904020457816462
EOS-3-18641,Clc1cccc(-c2nnc3cncc(OCc4ncc(-c5ccncc5)cn4)n23)c1,FTNHITLGPVQNAQ-UHFFFAOYSA-N,3,1,0.556,97,969,415.844,3.876,5,0.43,0.79,1.0,0.547554999657323,0.726946405318347,0.5732814748817764,0.6248457953533,0.6181571688026866
EOS-3-18643,Cc1ccnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ncn1,ARMXYLXKJXQCFH-UHFFFAOYSA-N,3,1,0.413,89,398,479.504,2.818,6,0.374,0.82,0.985,0.35963093687889797,0.1634312247275718,0.0752090329655267,0.06992324035364265,0.16704860873140978
EOS-3-18644,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)c(F)c5)n34)cn2)n1,VRCMTVIDMQFGQN-UHFFFAOYSA-N,3,1,0.276,39,972,470.407,2.174,6,0.377,0.7,0.994,0.2422040984168323,0.22741758618326366,0.1286495099719005,0.21888492906586252,0.20428903090946476
EOS-3-18645,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)nc2)ccn1,PECMETVLLSBOMZ-UHFFFAOYSA-N,3,1,0.281,69,174,431.459,4.879,6,0.393,0.85,1.0,0.10987937769858132,0.05935165512987458,0.6581025974916044,0.6162017682132822,0.36088384963333564
EOS-3-18646,COc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,FHDFAGHEPXJLFP-UHFFFAOYSA-N,3,1,0.517,11,710,443.442,3.413,5,0.377,0.73,1.0,0.7158351038311288,0.606898087862381,0.2843533685148379,0.26006613665958467,0.4667881742169831
EOS-3-18647,Cc1cncc(CCOc2cncc3nnc(-c4cccc(-c5cncc(C)n5)c4)n23)n1,YPMACUULPYXBDD-UHFFFAOYSA-N,3,1,0.5,20,846,424.468,3.277,5,0.409,0.7,1.0,0.5691179494208759,0.4588873278048112,0.1752193132753067,0.13540024672743473,0.33465620930710716
EOS-3-18648,Fc1ccccc1-c1ccnc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,ICHWUPUSSWAXNG-UHFFFAOYSA-N,3,1,0.409,46,210,433.834,4.015,5,0.413,0.69,1.0,0.6488760194640532,0.669410938249606,0.6228582687958331,0.7083476115413612,0.6623732095127133
EOS-3-18650,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c(F)c1,PUFKILCTMYBBFR-UHFFFAOYSA-N,3,1,0.325,42,314,450.441,3.245,6,0.402,0.64,1.0,0.22280001370707972,0.31914365019532587,0.4026883010074704,0.41316565005825506,0.33944940374203275
EOS-3-18651,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)c(F)cn1,BYPPBMPTZOLQTN-UHFFFAOYSA-N,3,1,0.524,16,540,431.406,3.809,5,0.418,0.7,1.0,0.9051041738057707,0.7797272291138373,0.8154341717497087,0.7611455691864848,0.8153527859639502
EOS-3-18652,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)no2)cn1,JZWUUVVIOZYHGJ-UHFFFAOYSA-N,3,1,0.444,46,119,430.815,3.34,5,0.412,0.69,1.0,0.5065451305599342,0.597508738263313,0.5296929614145707,0.537343225275855,0.5427725138784182
EOS-3-18653,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(Cl)c4F)n23)cc1F,PRFBCPMYGIMEGN-UHFFFAOYSA-N,3,1,0.337,0,129,482.878,3.642,5,0.452,0.77,1.0,0.39167123569323553,0.44117949420875885,0.5921115756288123,0.6511119868412035,0.5190185730930026
EOS-3-18654,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)nn1,UZIHRCKYCISECR-UHFFFAOYSA-N,3,1,0.301,98,973,442.83,3.137,6,0.404,0.66,1.0,0.06668494277294222,0.16343979165238845,0.18792406277842505,0.2780052772256871,0.1740135186073607
EOS-3-18655,Cc1ccc(-c2nnc3cncc(CNCc4cccc(-c5ccc(F)nc5)c4)n23)cc1,RBNDXJDDTJUNCG-UHFFFAOYSA-N,3,1,0.361,62,319,424.483,4.591,5,0.404,0.82,1.0,0.34342231512576243,0.2627561510520184,0.8206171612637927,0.7900075388938387,0.554200791583853
EOS-3-18656,Cn1ncc(-c2ccc(F)c(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)n2)n1,WEBCVKDNAYEGMK-UHFFFAOYSA-N,3,1,0.293,76,272,451.429,2.64,6,0.398,0.64,0.998,0.13195634295113426,0.1976303885957097,0.09367075594544583,0.1179751216503324,0.13530815228565554
EOS-3-18657,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)c2)nn1,CVRGKLNYRGEEAB-UHFFFAOYSA-N,3,1,0.297,39,972,451.429,2.64,6,0.398,0.64,0.982,0.06486875471180865,0.12282400109656638,0.18137036529367417,0.26308169419505173,0.15803620382427525
EOS-3-18658,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)c1,HQABLCMSIXMFBF-UHFFFAOYSA-N,3,1,0.318,3,783,451.881,4.149,6,0.397,0.72,1.0,0.02185422520731958,0.1760160372832568,0.539716263450072,0.6566290864231376,0.34855390309094647
EOS-3-18659,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)no1,YIJYWQUKOQTVAF-UHFFFAOYSA-N,3,1,0.571,15,921,433.859,3.82,5,0.398,0.73,1.0,0.7036700705914605,0.6499211842916867,0.3426941265163457,0.36258652594064833,0.5147179768350353
EOS-3-18660,CCc1cc(-c2nccnc2-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)ccn1,KOTWCJCCCXYPLH-UHFFFAOYSA-N,3,1,0.294,85,674,430.863,2.635,5,0.414,0.63,0.995,0.24472277431293263,0.16732060859433898,0.0427146871359057,0.06481735316290864,0.1298938558015215
EOS-3-18661,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)c5)ncn4)n23)cc1,HZBZNDWNQWKWPH-UHFFFAOYSA-N,3,1,0.494,89,675,440.854,3.747,5,0.379,0.71,1.0,0.8192550202179426,0.8887156466314852,0.7565708313343842,0.7508909601809335,0.8038581145911864
EOS-3-18662,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccnn5C)cn4)n23)nc1,QUHYSEVZJCQQQM-UHFFFAOYSA-N,3,1,0.245,86,652,435.455,2.444,6,0.414,0.62,1.0,0.056121924473990815,0.04086423137550545,0.1436073607018025,0.12251559180316633,0.09077727708861627
EOS-3-18663,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)n2)nn1,DCYVUMDERULPDM-UHFFFAOYSA-N,3,1,0.291,76,968,435.455,2.444,6,0.414,0.62,0.927,0.03621239120005483,0.026060585292303474,0.07748783496676033,0.07185079843739291,0.05290290247412788
EOS-3-18664,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cn5)n34)nn2)cn1,UTEUOHSQAHNLFT-UHFFFAOYSA-N,3,1,0.263,99,813,435.455,2.444,6,0.414,0.62,0.992,0.02505825508875334,0.013347268864368446,0.18475430059625797,0.1523027893907203,0.09386565348502501
EOS-3-18665,Cc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)nn1,XJLHXEJDUZNNMJ-UHFFFAOYSA-N,3,1,0.299,70,136,445.45,2.866,6,0.399,0.62,0.696,0.07658830786101022,0.08471831951202796,0.0959666917963128,0.1042166403947639,0.09037248989102872
EOS-3-18666,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5nnnn5C)cc4F)n23)cn1,WJZZUZHYROWNHW-UHFFFAOYSA-N,3,1,0.294,99,286,455.421,1.373,6,0.382,0.62,1.0,0.17273490507847303,0.24765266260023303,0.035638407237338084,0.054220067164690564,0.12756151052018366
EOS-3-18667,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)nc1,SQVQGLFEQHCMGB-UHFFFAOYSA-N,3,1,0.299,42,957,417.436,3.496,6,0.433,0.76,0.999,0.0006853539853334248,0.01032314440408471,0.3770046604071003,0.39723973682406966,0.19631322390514702
EOS-3-18668,CCn1cncc1-c1cncc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)c1,OTJJTCPNBBIJCQ-UHFFFAOYSA-N,3,1,0.35,85,328,433.878,4.453,5,0.409,0.76,0.904,0.26076862449455146,0.31388355835789183,0.7883883901034885,0.8055051058871907,0.5421364197107806
EOS-3-18670,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)cn2)nc1,UPJRSDXCTYTTCY-UHFFFAOYSA-N,3,1,0.623,73,665,451.824,4.154,5,0.396,0.7,1.0,0.9782057432663971,0.9792594750188472,0.79943972311699,0.8382821602357617,0.898796775409499
EOS-3-18671,CCOc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4nc(C)no4)nc3)n12,NXBWJNUJZMHPRU-UHFFFAOYSA-N,3,1,0.402,82,985,433.859,4.264,5,0.405,0.79,1.0,0.4938575149064492,0.5975173051881296,0.35797752038928105,0.35909978754026456,0.4521130320060311
EOS-3-18672,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)no4)n23)cc1,DPYWBFCIQSLADP-UHFFFAOYSA-N,3,1,0.325,98,882,456.857,3.352,6,0.367,0.73,1.0,0.22012713316427934,0.28849119320128846,0.17522788020012336,0.23644712494003153,0.23007333287643067
EOS-3-18673,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cnn2)n1C,XVNAYUGGRSTSOC-UHFFFAOYSA-N,3,1,0.467,92,571,443.431,0.758,5,0.396,0.67,0.942,0.284893084778288,0.1069323555616476,0.010177506682201357,0.003589541498183812,0.10139812213008019
EOS-3-18674,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5F)nn4)n23)nc1,MXZMQEXBDXQXIG-UHFFFAOYSA-N,3,1,0.302,33,432,416.38,1.328,5,0.435,0.72,1.0,0.016174354053868824,0.09094647385374546,0.10104687821259681,0.08285072990199438,0.07275460900555136
EOS-3-18675,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncc(F)c6)nc5)n34)n2)n1,CYZNFCVYNRUEEL-UHFFFAOYSA-N,3,1,0.291,76,387,451.429,2.64,6,0.398,0.65,0.998,0.1481820985539031,0.22742615310808031,0.15899355767253787,0.2102409019258447,0.18621067781509149
EOS-3-18676,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)n1,GFHYPEJIVFDZMC-UHFFFAOYSA-N,3,1,0.302,76,356,451.429,2.64,6,0.398,0.65,0.628,0.1154992803783154,0.18867795216229183,0.11147282571448153,0.20122849701871015,0.15421963881844974
EOS-3-18677,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)ncn1,SXZCPRALQMVZNK-UHFFFAOYSA-N,3,1,0.386,56,789,449.438,2.626,6,0.386,0.69,1.0,0.43164450688780753,0.2573332876430676,0.1114813926392982,0.0920259063806456,0.22312127338770474
EOS-3-18678,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(Cl)c6)n5)n34)cc2)n1C,ZTWYYDDBYUZYDV-UHFFFAOYSA-N,3,1,0.322,8,289,468.912,3.796,6,0.387,0.73,1.0,0.03915084641217189,0.20235933109451032,0.16528168048797204,0.2630902611198684,0.16747052977863064
EOS-3-18679,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccnn6)cnn5)n34)cc2)nn1,ZQEZGIQHPIZIQT-UHFFFAOYSA-N,3,1,0.291,98,63,433.439,2.501,6,0.412,0.64,1.0,0.032228771160304294,0.023661846343636488,0.20161400863546022,0.21621204852306217,0.11842916866561579
EOS-3-18680,Cn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,RIDWSNIODCEYAW-UHFFFAOYSA-N,3,1,0.295,8,754,433.439,2.501,6,0.412,0.64,0.759,0.052643752998423686,0.040872798300322116,0.05306353231444041,0.08813652251387842,0.05867915153176616
EOS-3-18681,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cn2)nc1,GXAATJPKTLQPFB-UHFFFAOYSA-N,3,1,0.338,32,191,419.408,3.36,6,0.423,0.76,1.0,0.21454149818381194,0.11936296347063258,0.24075628812281544,0.2542149270098006,0.20721891919676516
EOS-3-18682,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(Cl)cn1,RXIZDNIZMXGWKP-UHFFFAOYSA-N,3,1,0.472,95,493,432.875,3.257,5,0.406,0.69,1.0,0.47424782400109655,0.41451065725447195,0.2620193955177849,0.3147231169899253,0.3663752484408197
EOS-3-18683,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)ncn2)cc(C)n1,AELWQLRNNXCZFM-UHFFFAOYSA-N,3,1,0.517,44,238,435.451,3.106,5,0.409,0.66,0.641,0.5139383866767185,0.2884997601261051,0.4204304023027894,0.28982763347268864,0.3781740456445754
EOS-3-18684,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cccnn5)nc4)n23)ccc1-c1cncnn1,AQUINLOYYJMMMD-UHFFFAOYSA-N,3,1,0.321,70,887,448.425,3.301,6,0.4,0.63,1.0,0.3265797409361935,0.3813823589884175,0.5228908231101363,0.5443081351518059,0.4437902645466383
EOS-3-18685,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)cn2)cn1,RFVUAHBEVRRTMU-UHFFFAOYSA-N,3,1,0.273,70,151,425.481,3.501,6,0.429,0.7,1.0,0.0017133849633335619,0.011239805359468166,0.27293365773421974,0.2718456582825029,0.1394331265848811
EOS-3-18686,N#Cc1cc(-c2ccncn2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,DKXXUPNZTKLSEB-UHFFFAOYSA-N,3,1,0.462,16,939,440.854,3.747,5,0.406,0.64,1.0,0.8552532382975807,0.7542920293331505,0.807252758549791,0.7990370776506065,0.8039587759577822
EOS-3-18687,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(OC(F)F)c(F)c5)n34)cn2)c1,VLTOSELCZCCOTB-UHFFFAOYSA-N,3,1,0.383,96,121,447.38,4.256,5,0.4,0.77,1.0,0.10742067027619766,0.5082499485984511,0.9722602974436296,0.9649869782742787,0.6382294736481392
EOS-3-18688,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)nc1,GLRPKPHFAOEDPQ-UHFFFAOYSA-N,3,1,0.523,2,904,431.406,3.543,5,0.406,0.69,1.0,0.7922520731958056,0.7585497909670345,0.7449883489822493,0.7325834418477143,0.7570934137482009
EOS-3-18689,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nn2)cc1,XMUKKKBKLTZHBC-UHFFFAOYSA-N,3,1,0.346,30,641,446.449,4.511,6,0.393,0.76,0.957,0.2552429579878007,0.4004951682544034,0.592120142553629,0.6831865533548077,0.4827612055376602
EOS-3-18690,Cc1nc(-c2ccc(-c3cncc4nnc(-c5c(F)cccc5CO)n34)nc2)cs1,ZLTWTMDYSDVGCD-UHFFFAOYSA-N,3,1,0.317,96,140,418.457,3.917,5,0.476,0.76,0.794,0.22865122335686383,0.4371187718456583,0.5766225755602769,0.5603796861078747,0.4506930642176684
EOS-3-18691,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)cc1,XCCTVQVALFMEQQ-UHFFFAOYSA-N,3,1,0.297,38,193,435.451,3.787,6,0.402,0.68,1.0,0.13728497018710165,0.08127441573572751,0.18793262970324173,0.190117195531492,0.1491523027893907
EOS-3-18692,COc1cc(-c2nnc3cncc(Oc4ncc(-c5nnc(C)o5)cc4F)n23)ccc1Cl,GYTQYBLSTADYJA-UHFFFAOYSA-N,3,1,0.409,13,706,453.821,4.138,5,0.387,0.74,1.0,0.7753752313069701,0.7963898978822562,0.5397248303748886,0.46694023713247895,0.6446075491741485
EOS-3-18693,CCn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC)cc5)n34)ncn2)n1,YSQJDMLTRNXLAN-UHFFFAOYSA-N,3,1,0.43,89,463,456.47,1.798,5,0.388,0.66,1.0,0.3574292372010143,0.19302994996915906,0.04422246590363923,0.014452402165718593,0.1522835138098828
EOS-3-18694,Cc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5ccc(F)cn5)c4)n23)n(C)n1,WYXPNHGCEORGNJ-UHFFFAOYSA-N,3,1,0.5,4,677,433.422,3.752,5,0.42,0.7,1.0,0.43165307381262424,0.4411880611335755,0.637482009457885,0.6038396957028305,0.5285407100267288
EOS-3-18695,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cnccn5)nc4)n23)cn1,SWMGCBFSANBLFT-UHFFFAOYSA-N,3,1,0.288,86,459,433.439,2.501,6,0.412,0.63,1.0,0.13196490987595094,0.04445377287368926,0.10105544513741348,0.09797135220341306,0.09386137002261669
EOS-3-18696,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnn4)nc3)n12,BZGTXNDZEPYONO-UHFFFAOYSA-N,3,1,0.316,8,754,433.439,2.501,6,0.412,0.63,0.969,0.08111164416421081,0.051632855870056886,0.058614899595641146,0.08629463367829483,0.06941350832705091
EOS-3-18697,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)n1,LVFNUMGFFLUNEU-UHFFFAOYSA-N,3,1,0.276,76,387,433.439,2.501,6,0.412,0.63,0.885,0.046424165581522854,0.012113631690768283,0.0867058460694949,0.10422520731958056,0.06236721266534165
EOS-3-18698,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2F)n1,MMVFWJVLNHQACO-UHFFFAOYSA-N,3,1,0.571,4,712,432.394,3.204,5,0.417,0.64,1.0,0.6429134397916524,0.6791686656157906,0.5430316633541225,0.5343705023644713,0.5998710677815092
EOS-3-18699,Cn1ncc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)c2)n1,ZLLWCGYBSXHGLO-UHFFFAOYSA-N,3,1,0.261,99,286,437.431,1.234,6,0.395,0.64,0.684,0.07279316016722637,0.04446233979850593,0.030549653896237407,0.024655609622369953,0.04311519087108492
EOS-3-18700,Cc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5F)c4)n23)n1,UHRHENVNVIAUHF-UHFFFAOYSA-N,3,1,0.44,65,349,429.419,2.502,5,0.375,0.74,1.0,0.6341494757042012,0.572673223219793,0.2155866630114454,0.1901257624563087,0.403133781097937
EOS-3-18701,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)nn1,VRBNWTRDERSSPC-UHFFFAOYSA-N,3,1,0.342,98,541,466.896,3.759,6,0.386,0.73,0.955,0.170027756836406,0.32382975807004316,0.28064389006922075,0.40335652114317044,0.29446448152971005
EOS-3-18702,COc1ncc(-c2ccc(F)nc2C)cc1-c1cncc2nnc(-c3ccc(C)nc3)n12,KQIGOEHJWNGMGP-UHFFFAOYSA-N,3,1,0.398,82,478,427.443,4.075,5,0.399,0.78,1.0,0.4742563909259132,0.4809728599821808,0.5698547049551093,0.4194966074977726,0.48614514084024396
EOS-3-18703,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)c(Cl)c4)n23)c1F,XVPVSRSSBGJFBV-UHFFFAOYSA-N,3,1,0.483,16,610,450.865,3.662,5,0.403,0.67,1.0,0.5577753409636077,0.6596103762593379,0.5732900418065932,0.5539544924953739,0.5861575628812281
EOS-3-18704,COc1cncc(-c2ccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)c(F)c2)n1,IQZWPXQGWVSZKM-UHFFFAOYSA-N,3,1,0.44,36,610,433.407,2.103,5,0.397,0.65,1.0,0.49898910287163317,0.45461243232129395,0.17821773696114043,0.1268418888355836,0.3146652902474128
EOS-3-18705,Cn1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)cn1,ICEPMBCSDGIYOK-UHFFFAOYSA-N,3,1,0.324,98,42,423.4,2.094,6,0.414,0.66,1.0,0.102486121581797,0.07074566513604276,0.0936793228702625,0.09797991912822973,0.091222757179083
EOS-3-18707,OCc1cc(-c2nnc3cncc(OCCc4nc(Cl)ccc4Cl)n23)ccc1Cl,IUVNSCQLQWUPOF-UHFFFAOYSA-N,3,1,0.536,90,400,450.713,4.26,4,0.442,0.72,1.0,0.8848348296895346,0.9215184017545062,0.8718388047426496,0.9244996915907066,0.9006729319443493
EOS-3-18708,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)nc1,AKRJRKJWTHOOPR-UHFFFAOYSA-N,3,1,0.512,27,422,439.357,3.834,5,0.407,0.71,1.0,0.5800664793365773,0.5590518127612912,0.9312418614214242,0.8382907271605784,0.7271627201699677
EOS-3-18709,Fc1cc(C(F)(F)F)ncc1Cc1cncc2nnc(-c3ccc(OCC(F)F)cc3)n12,MNDVIENHTRMYRJ-UHFFFAOYSA-N,3,1,0.458,66,225,453.346,4.579,4,0.4,0.75,1.0,0.8810311150709341,0.9159670344733054,0.9961106161332328,0.9876379274895484,0.9451866732917551
EOS-3-18710,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4c[nH]nn4)n23)n1,IEKOWUPVGJKIOT-UHFFFAOYSA-N,3,1,0.436,31,531,433.863,2.95,5,0.434,0.67,1.0,0.5040778562127339,0.544642245219656,0.16219758755397162,0.2395397847988486,0.3626143684463025
EOS-3-18711,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5ncc(F)cn5)c4)n23)c1F,WTDXMDTXHCVQTJ-UHFFFAOYSA-N,3,1,0.438,2,491,432.394,3.204,5,0.417,0.66,1.0,0.7753837982317867,0.6255482831882667,0.569863271879926,0.5005397162634501,0.6178337673908574
EOS-3-18712,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)cn4)n23)ccc1F,ZXLAZWPIIZNCFP-UHFFFAOYSA-N,3,1,0.415,46,128,432.394,3.204,5,0.417,0.66,0.948,0.5948187238708793,0.5726817901446097,0.5262490576382701,0.4543554245767939,0.5370262490576383
EOS-3-18713,Cn1cncc1-c1nc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,XWNZFOVIWDHAEN-UHFFFAOYSA-N,3,1,0.405,14,81,436.306,4.484,5,0.415,0.76,1.0,0.34119491467342883,0.4897539579192653,0.6496556096223699,0.7712888081694195,0.5629733225961209
EOS-3-18715,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cn5)n34)n2)c1,WLHQQNVIOKQYMV-UHFFFAOYSA-N,3,1,0.284,10,871,453.416,3.774,6,0.375,0.7,0.791,0.027516962511137003,0.16344835857720513,0.5921287094784456,0.6652902474127887,0.36209606949489415
EOS-3-18716,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)c2)nn1,OHZKFENANLTFCR-UHFFFAOYSA-N,3,1,0.233,99,719,434.427,1.896,6,0.404,0.65,0.891,0.006356658213967514,0.006073949695017476,0.13153656363511754,0.14012918922623535,0.07102409019258446
EOS-3-18717,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cn2)n1,BADUGDWAZZTMTL-UHFFFAOYSA-N,3,1,0.275,86,421,434.427,1.896,6,0.404,0.65,0.999,0.04061579055582208,0.021400178192036188,0.058623466520457815,0.06482592008772531,0.04636633883901035
EOS-3-18718,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)n(C)n1,QLPRCWCCANFFKZ-UHFFFAOYSA-N,3,1,0.287,38,154,434.467,3.347,6,0.452,0.65,1.0,0.12338941813446645,0.10694092248646427,0.25834418477143445,0.2188934959906792,0.1768920053457611
EOS-3-18719,Fc1cc(Cl)ccc1-c1nnc2cncc(Cc3ccc(-c4cncnn4)cc3)n12,CPGZLLZPTFPOGQ-UHFFFAOYSA-N,3,1,0.396,14,358,417.835,4.027,5,0.439,0.76,1.0,0.46175724761839493,0.6303543280104174,0.8260999931464601,0.8753598108423001,0.6983928449043931
EOS-3-18720,Fc1cc(-c2nnc3cncc(Cc4cc(-c5cncnn5)ncn4)n23)ccc1Cl,WAULKBMYDMFMNZ-UHFFFAOYSA-N,3,1,0.368,85,60,419.811,2.817,5,0.437,0.66,1.0,0.457268179014461,0.5928740319374958,0.5163371256253855,0.6162103351380989,0.5456724179288602
EOS-3-18721,Cc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NCCO)nc3)n12,RGUOWRJBSOWGFW-UHFFFAOYSA-N,3,1,0.296,82,336,453.466,1.736,5,0.393,0.65,1.0,0.17536495099719004,0.023670413268453157,0.14988691659241998,0.10212631073949695,0.11276214789939004
EOS-3-18722,c1cnc(-c2cncnc2)c(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cn4)n23)c1,AKPLXLUONNMDKH-UHFFFAOYSA-N,3,1,0.304,94,809,445.45,2.481,6,0.389,0.63,1.0,0.12915495853608389,0.08797375094236173,0.18476286752107463,0.19825577410732642,0.15003683777671167
EOS-3-18723,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,CMMKXGXVPBFOIV-UHFFFAOYSA-N,3,1,0.457,18,531,428.431,3.107,5,0.406,0.67,1.0,0.7493317798642999,0.5126019464053183,0.26920704543896923,0.2630988280446851,0.44855989993831813
EOS-3-18724,Cc1cc(C)nc(COc2cncc3nnc(-c4cc(F)cc(-c5cncn5C)c4)n23)n1,QHXCOFPUWZRHFO-UHFFFAOYSA-N,3,1,0.483,26,448,430.447,3.317,5,0.422,0.66,1.0,0.4409995887876088,0.3859999314646015,0.3391302857926119,0.2600747035844013,0.3565511274073059
EOS-3-18725,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)nn1,AIIDMJDZAZXTHQ-UHFFFAOYSA-N,3,1,0.448,51,196,431.847,2.974,5,0.413,0.61,1.0,0.5604910561304914,0.6020920430402302,0.1912651634569255,0.21334212870947844,0.39179759783428136
EOS-3-18726,c1ccc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccn5)n34)cc2)cc1,ZZEGMHPJIMSPAP-UHFFFAOYSA-N,3,1,0.304,93,651,428.459,4.372,6,0.411,0.75,1.0,0.09265985881707903,0.06704475361524227,0.36915735727503257,0.5073418545678843,0.25905095606880957
EOS-3-18727,COc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1nccn1C,STDQTKJGCLNVJS-UHFFFAOYSA-N,3,1,0.59,35,604,427.468,3.217,5,0.394,0.7,1.0,0.387302104036735,0.15585806318963744,0.35055856349804676,0.21890206291549585,0.27815519840997877
EOS-3-18728,Cc1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)n1C,ZBUMEQRIZMCKCI-UHFFFAOYSA-N,3,1,0.333,98,725,448.494,3.358,6,0.407,0.66,1.0,0.12059660064423275,0.040881365225138785,0.2407648550476321,0.18733294496607497,0.14739394147076965
EOS-3-18729,Cc1nc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)cs1,JEUJECPAXXZVRJ-UHFFFAOYSA-N,3,1,0.279,98,973,439.468,2.656,6,0.407,0.67,1.0,0.04950825851552327,0.08472688643684463,0.026137687615653486,0.0387225001713385,0.04977383318483997
EOS-3-18730,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5cnc(C#N)c(F)c5)n34)cn2)n1,LTMFHMBIOWFHGT-UHFFFAOYSA-N,3,1,0.458,55,283,428.391,2.265,5,0.446,0.66,1.0,0.6974247824001096,0.6596189431841546,0.3427026934411624,0.27801384415050373,0.4944400657939826
EOS-3-18731,Fc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1nnco1,PBSKBTOCLBLSJQ-UHFFFAOYSA-N,3,1,0.523,4,554,423.795,3.608,5,0.395,0.77,1.0,0.757735933109451,0.7543005962579672,0.6312966897402509,0.6652988143376054,0.7021580083613186
EOS-3-18732,Cn1ncc(-c2cc(-c3cncc4nnc(-c5cccnc5-c5ncc(Cl)cn5)n34)ccn2)n1,VEZLWCUGICIZJQ-UHFFFAOYSA-N,3,1,0.277,86,902,467.884,3.154,6,0.384,0.71,1.0,0.15382770200808718,0.17602460420807348,0.13773045027756836,0.19013432938112534,0.1644292714687136
EOS-3-18733,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5c(C)nn(C)c5C)nc4)n23)cn1,JBAIELTURWFBQW-UHFFFAOYSA-N,3,1,0.58,92,205,426.484,3.486,5,0.424,0.74,1.0,0.32137105064765953,0.18023096429305738,0.15900212459735452,0.08285929682681105,0.1858658590912206
EOS-3-18734,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)cnn6)nc5)n34)nc2)cn1,PCYLISUTMYCIFP-UHFFFAOYSA-N,3,1,0.306,70,968,450.441,3.245,6,0.402,0.63,1.0,0.12060516756904942,0.227434720032897,0.44620827907614286,0.43225275854979095,0.30662523130697006
EOS-3-18735,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccccc5Cl)ncn4)n23)cn1,ZNYXQYJTCFIQLI-UHFFFAOYSA-N,3,1,0.5,4,675,429.871,4.184,5,0.413,0.75,1.0,0.6644335549311219,0.7626190802549517,0.5951956685628127,0.6038482626276471,0.6565241415941334
EOS-3-18736,COc1cc(-c2nnc3cncc(OCc4ccccc4Cl)n23)ccc1-c1cccnn1,BRKYOQVRMKFYBQ-UHFFFAOYSA-N,3,1,0.511,43,433,444.882,4.489,5,0.381,0.77,1.0,0.8531800424919471,0.8454612432321293,0.7776111986841203,0.7379463367829484,0.8035497052977862
EOS-3-18737,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,NCOFOUHQKMAHPY-UHFFFAOYSA-N,3,1,0.477,72,820,433.834,4.015,5,0.386,0.76,1.0,0.882761633883901,0.8807312727023507,0.8072613254746076,0.8182526900143924,0.847251730518813
EOS-3-18738,Fc1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cnc1-c1cncnn1,FQQSMKXNBFSNRE-UHFFFAOYSA-N,3,1,0.262,86,421,449.413,2.696,6,0.395,0.63,0.953,0.2580700431773011,0.26276471797683504,0.30243814680282366,0.33672297991912825,0.289998971969022
EOS-3-18739,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)nc1,ZGIJYBAKTHRLLK-UHFFFAOYSA-N,3,1,0.374,90,457,438.81,2.206,4,0.358,0.71,1.0,0.5718422315125763,0.4145192241792886,0.5262576245630869,0.46988725926941266,0.4956265848810911
EOS-3-18740,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ncn2)cc1F,OCLAGVDSFRQIHC-UHFFFAOYSA-N,3,1,0.544,44,130,444.445,4.456,5,0.385,0.79,0.999,0.8343499417449113,0.7455708998697828,0.8416232609142622,0.8263055993420602,0.811962425467754
EOS-3-18741,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncn(C)n6)cc5F)n34)nc2)nn1,DKTVZUFNSZWUIA-UHFFFAOYSA-N,3,1,0.329,98,314,453.445,2.583,6,0.4,0.63,1.0,0.12916352546090057,0.26794770749091906,0.23364574052498116,0.2277002947022137,0.21461431704475364
EOS-3-18742,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nncn5C)n4)n23)c1,UYCLBSVZENQUEX-UHFFFAOYSA-N,3,1,0.265,76,176,446.478,3.414,6,0.405,0.67,0.948,0.04643273250633952,0.010331711328901377,0.09597525872112947,0.12685045576040024,0.06989753957919265
EOS-3-18743,Cc1ncc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cn1,GYFWQCWHMJJWIL-UHFFFAOYSA-N,3,1,0.337,94,871,451.429,2.734,6,0.398,0.63,0.535,0.033573778356521145,0.1330700431773011,0.1847714344458913,0.22451339867041326,0.1439821636625317
EOS-3-18744,c1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)nc1,APWZGVUQGNTSOV-UHFFFAOYSA-N,3,1,0.404,40,59,460.461,3.074,6,0.365,0.69,1.0,0.5830649030224111,0.47662942910013023,0.1652902474127887,0.154890000685354,0.344968645055171
EOS-3-18745,CCc1nc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1cccnc1,QCSKAOJCZJBWCB-UHFFFAOYSA-N,3,1,0.383,31,662,426.484,3.432,5,0.41,0.74,0.938,0.1814217668425742,0.10694948941128092,0.12032245905009938,0.07585155232677677,0.12113631690768281
EOS-3-18746,COc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ncc(CO)cn3)n12,LCNJLIXSKAPEQF-UHFFFAOYSA-N,3,1,0.298,63,66,418.417,1.036,5,0.47,0.79,0.955,0.2036101021177438,0.06705332054005894,0.00934651497498458,0.006459461311767528,0.0716173497361387
EOS-3-18747,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cncn4C)cc3F)n12,BHNUEBMTXTWCBD-UHFFFAOYSA-N,3,1,0.369,96,46,434.862,4.66,5,0.411,0.78,1.0,0.41785175793297236,0.5538688232472072,0.8916198341443355,0.8767647865122336,0.6850263004591872
EOS-3-18748,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)c(F)c1,AEXBSQWUDOUBPF-UHFFFAOYSA-N,3,1,0.329,38,572,455.482,3.911,6,0.397,0.7,1.0,0.1566376533479542,0.2627732849016517,0.3280875197039271,0.3495219655952299,0.2742551058871907
EOS-3-18749,COCCn1cc(-c2cncc3nnc(-c4cc(C(F)F)cc(C(F)(F)F)c4)n23)nn1,BCHFQFBWNLRDOJ-UHFFFAOYSA-N,3,1,0.295,68,542,439.348,3.653,4,0.427,0.68,1.0,0.15112055376602015,0.18868651908710848,0.9701614008635461,0.9367589610033582,0.5616818586800083
EOS-3-18750,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nsc(-c5cc(Cl)ncn5)n4)n23)cc1,YTHYEVNALPHKOR-UHFFFAOYSA-N,3,1,0.33,74,295,475.925,3.312,6,0.384,0.76,1.0,0.17003632376122269,0.18427455280652458,0.03564697416215475,0.0959923925707628,0.12148756082516621
EOS-3-18751,Cc1nnc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)s1,JRMCGYQRJMZNBX-UHFFFAOYSA-N,3,1,0.299,99,14,453.495,2.871,6,0.396,0.65,1.0,0.04785484202590638,0.08128298266054416,0.021991296004386266,0.025546569803303405,0.044168922623535056
EOS-3-18752,FCc1cc(-c2cc(-c3nnc4cncc(Cc5ccc(F)c(F)c5)n34)ccn2)ccn1,PQTRWKKLIAWCQV-UHFFFAOYSA-N,3,1,0.392,14,358,432.409,4.587,5,0.406,0.76,1.0,0.5245528065245699,0.5780189843053938,0.9151446096909054,0.9093962031389212,0.7317781509149476
EOS-3-18753,Fc1cccnc1-c1ccnc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,GGKLTZYPJUWGAR-UHFFFAOYSA-N,3,1,0.433,59,692,434.381,4.245,5,0.412,0.7,1.0,0.7609570968405182,0.6989154273182099,0.9103471317935714,0.9105184702899047,0.8201845315605509
EOS-3-18754,Cc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)cn1,PUWWKELOFZQETA-UHFFFAOYSA-N,3,1,0.356,33,53,480.492,2.213,6,0.368,0.82,1.0,0.24221266534164895,0.11008498389418135,0.0272513878418203,0.02213693372626962,0.10042149270098005
EOS-3-18755,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nc(C)n2)cn1,XLASBCYRISQHHZ-UHFFFAOYSA-N,3,1,0.455,18,531,442.458,3.416,5,0.394,0.67,1.0,0.6945120279624426,0.5538773901720239,0.3354550750462614,0.2780224110753204,0.46546672606401207
EOS-3-18756,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)nc2)nc1,RFHQVOZXHIAQNS-UHFFFAOYSA-N,3,1,0.276,70,977,438.386,2.894,6,0.404,0.64,1.0,0.30619902679734085,0.30380028784867386,0.22996196285381398,0.24812384346514976,0.2720212802412446
EOS-3-18757,Cc1ncc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)cn1,RIGOJLMMPLQCCH-UHFFFAOYSA-N,3,1,0.542,72,628,428.431,3.107,5,0.406,0.65,0.99,0.9083167706120211,0.8126927558083751,0.35798608731409776,0.31159618943184153,0.5976479507915838
EOS-3-18758,O=c1[nH]cc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1cncc(F)c1,COMNUOMUQAAEAO-UHFFFAOYSA-N,3,1,0.469,35,619,447.405,2.836,5,0.426,0.67,1.0,0.46897916523884586,0.23210369405798095,0.7220461243232129,0.727049208416147,0.5375445480090467
EOS-3-18759,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)cc1,HLVWUYQNQRDXQP-UHFFFAOYSA-N,3,1,0.312,3,289,417.436,3.496,6,0.433,0.74,0.999,0.04062435748063875,0.03443903776300459,0.2843619354396546,0.3429340004112124,0.1755898327736276
EOS-3-18760,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,NIQNCGNKILZMMA-UHFFFAOYSA-N,3,1,0.411,20,658,431.847,2.708,5,0.374,0.68,1.0,0.4915358782811322,0.5832105407442945,0.25146494414365017,0.3084521280241245,0.40866587279830036
EOS-3-18761,c1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nn2)cc1,AVCTZAHOZDSVQU-UHFFFAOYSA-N,3,1,0.337,6,870,435.411,2.616,6,0.429,0.63,1.0,0.4456257281886094,0.3329535329997944,0.10106401206223015,0.10423377424439723,0.24596926187375778
EOS-3-18762,Cn1cc(-c2cncc3nnc(-c4cnc(-c5cc[nH]n5)cc4F)n23)c(-c2cccnn2)n1,AKVBUKLANRUCNW-UHFFFAOYSA-N,3,1,0.258,99,719,439.418,2.573,6,0.444,0.61,0.453,0.09507573161537934,0.21674319786169557,0.20874169008292784,0.24813241038996642,0.1921732574874923
EOS-3-18763,CCc1nc(C)nc(C)c1-c1ccc(-c2cncc3nnc(-c4cnc(C)cn4)n23)c(F)c1,POUVHUZWIDQJCX-UHFFFAOYSA-N,3,1,0.282,82,974,440.486,4.332,5,0.41,0.71,0.998,0.34597525872112944,0.3478856829552464,0.22997052977863067,0.1982643410321431,0.2805239531217874
EOS-3-18764,Cc1c(Cl)cccc1-c1nsc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)n1,MRAMVPZHJCTMCP-UHFFFAOYSA-N,3,1,0.347,96,837,465.901,4.177,5,0.426,0.71,1.0,0.2257299019943801,0.3191522171201426,0.4315074360907409,0.5174508258515523,0.373460095264204
EOS-3-18765,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(Cl)nn6)n5)n34)nc2)cn1,WPBCVGPKXMLIHL-UHFFFAOYSA-N,3,1,0.25,99,286,456.861,2.278,6,0.392,0.65,0.978,0.005457131108217394,0.10358268795833048,0.09598382564594612,0.13540881365225138,0.08510811459118635
EOS-3-18767,COc1ncc(-c2cncc3nnc(-c4cnc(C#Cc5ccccc5)nc4)n23)cc1F,UZKWERDEWIYDRR-UHFFFAOYSA-N,3,1,0.354,82,478,423.411,3.191,5,0.412,0.69,1.0,0.42497943938043997,0.5590603796861079,0.6255225824138168,0.5309437324378041,0.5351265334795421
EOS-3-18768,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nccc(-c6nnn(C)n6)n5)n34)cc2)n1C,CKTUYHDSVAJZPY-UHFFFAOYSA-N,3,1,0.288,98,882,450.47,2.148,6,0.396,0.62,1.0,0.12613940100061682,0.044470906723322594,0.02725995476663697,0.020492084161469398,0.05459058666301145
EOS-3-18769,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)nc1,WHBVDLYUKIHGCQ-UHFFFAOYSA-N,3,1,0.436,27,52,453.388,2.975,5,0.4,0.65,1.0,0.427326776780207,0.48098142690699747,0.797066684942773,0.645449249537386,0.5877060345418409
EOS-3-18770,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cc1=O,SLOGGFGMTPWQGM-UHFFFAOYSA-N,3,1,0.5,1,470,445.87,3.179,5,0.383,0.71,1.0,0.3826673977109177,0.3767305188129669,0.48135837159893086,0.49410595572613253,0.43371556096223696
EOS-3-18771,COc1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)c(F)c1,KCAUCWYFWBXECH-UHFFFAOYSA-N,3,1,0.346,24,155,417.379,3.597,5,0.441,0.77,1.0,0.5634809128915085,0.6117469673086149,0.6746281954629566,0.6454578164622027,0.6238284730313207
EOS-3-18772,Cc1ccncc1CCOc1cncc2nnc(-c3c[nH]c(=O)c(-c4ccncc4)c3)n12,QMJKZRWZBSHGHP-UHFFFAOYSA-N,3,1,0.512,35,393,425.452,2.867,5,0.445,0.68,1.0,0.2932201357000891,0.09406483448701254,0.43925193612500857,0.3787437461448838,0.3013201631142485
EOS-3-18773,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)n2)cc1,FHDQDMIHRATJCN-UHFFFAOYSA-N,3,1,0.318,10,118,453.416,3.774,6,0.375,0.71,0.948,0.0362209581248715,0.21180864916729492,0.6108988417517648,0.6682372695497224,0.3817914296484134
EOS-3-18774,Cc1ccc(-c2ncc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2Cl)nc1,AZMWDFIHFXZNAH-UHFFFAOYSA-N,3,1,0.535,35,393,443.898,4.227,5,0.388,0.73,1.0,0.7696353916798027,0.8280018504557604,0.5091066410801178,0.5073504214927009,0.6535235761770954
EOS-3-18775,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)c2)cn1,BLGFHENXIVECGX-UHFFFAOYSA-N,3,1,0.588,35,545,429.459,3.83,5,0.391,0.75,1.0,0.5296929614145707,0.5538859570968405,0.5430402302789391,0.485144952367898,0.527941025289562
EOS-3-18776,CCn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,IYZCUZPCOXNQRG-UHFFFAOYSA-N,3,1,0.602,35,545,429.459,3.83,5,0.391,0.75,1.0,0.37570248783496674,0.34313103968199576,0.5794325269001439,0.5143238982934686,0.4531474881776437
EOS-3-18777,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc5cc(F)ccc5s4)n23)cc1,LGSYSEALTRJQCE-UHFFFAOYSA-N,3,1,0.35,3,882,428.456,4.003,6,0.423,0.73,1.0,0.1981786717839764,0.35769481187033103,0.31337810979370845,0.4033650880679871,0.31815417037900073
EOS-3-18778,COc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3C)n12,XLXRTMREIYHDJQ-UHFFFAOYSA-N,3,1,0.311,52,269,481.52,2.858,6,0.393,0.87,0.998,0.2092300047974779,0.09407340141182921,0.07308443561099308,0.06636796655472552,0.11068895209375643
EOS-3-18779,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)nc1,USPNVRFHNAUTIL-UHFFFAOYSA-N,3,1,0.36,30,705,435.426,3.635,6,0.417,0.67,0.999,0.014495236789801932,0.15194297854842026,0.4129257761633884,0.5041378246864505,0.2708754540470153
EOS-3-18781,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncccn1,GZEYYMWPRHGMQX-UHFFFAOYSA-N,3,1,0.576,37,141,447.861,4.057,5,0.387,0.69,1.0,0.9608320197381948,0.9553748886299774,0.6313052566650675,0.6653073812624221,0.8032048865739154
EOS-3-18782,CCOc1ccccc1-c1nnc2cncc(-c3nnc(-c4ccc(C)nn4)n3CC)n12,GDRNQHTURYXMRP-UHFFFAOYSA-N,3,1,0.481,61,311,427.472,3.234,5,0.406,0.7,0.664,0.07083990130902611,0.040889932149955455,0.01762216434788568,0.018538825303269137,0.036972705777534094
EOS-3-18783,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1,PKTXLYHXYRRZNR-UHFFFAOYSA-N,3,1,0.571,16,734,418.848,3.214,5,0.432,0.72,1.0,0.7609656637653348,0.5975258721129464,0.4462168460009595,0.4636933726269618,0.5671004386265506
EOS-3-18784,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)s4)n23)cn1,YWZZHOQGRFVKPH-UHFFFAOYSA-N,3,1,0.301,86,557,437.492,3.772,6,0.414,0.68,0.998,0.09266842574189568,0.11937153039544925,0.13773901720238504,0.140137756151052,0.12247918237269549
EOS-3-18785,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5F)n34)cc2)nn1,SJAGMWSPFLKKHA-UHFFFAOYSA-N,3,1,0.282,64,27,467.443,3.989,6,0.387,0.75,1.0,0.1319734768007676,0.16732917551915563,0.5889418134466452,0.6481649647042698,0.38410235761770956
EOS-3-18786,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)nc1,WDPJCUPWFSQJHL-UHFFFAOYSA-N,3,1,0.291,70,652,451.429,2.64,6,0.398,0.62,0.999,0.12917209238571722,0.22208895894729627,0.2087502570077445,0.22452196559522994,0.19613331848399698
EOS-3-18787,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1Cl,FIBDRHQSOBPBFK-UHFFFAOYSA-N,3,1,0.556,90,400,421.309,4.273,4,0.503,0.74,1.0,0.897308272222603,0.9078455897471044,0.8384192310328284,0.8794890686039339,0.8807655404016175
EOS-3-18788,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)nc5)n4)n23)cn1,PYRNDEDPQLMLHL-UHFFFAOYSA-N,3,1,0.423,7,85,443.402,1.855,5,0.388,0.65,1.0,0.5090723733808512,0.32836166129806044,0.20875882393256118,0.16046706874100472,0.3016649818381194
EOS-3-18789,COc1ccc(-c2ncccc2F)cc1COc1cncc2nnc(-c3ccc(C)cn3)n12,FFQGUTZSGRWJFE-UHFFFAOYSA-N,3,1,0.418,44,348,442.454,4.283,5,0.388,0.76,1.0,0.7577445000342677,0.6069066547871976,0.6879326297032418,0.5573212939483243,0.6524762696182578
EOS-3-18790,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cc(F)ncc5Cl)nc4)n23)cn1,GEJDFSSGFWOHPC-UHFFFAOYSA-N,3,1,0.489,55,879,448.849,3.718,5,0.375,0.75,1.0,0.8750685353985334,0.8580546227126311,0.5698718388047427,0.5473922280858063,0.7125968062504284
EOS-3-18791,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)cn2)cn1,PLJRIHPZFCKCDO-UHFFFAOYSA-N,3,1,0.313,86,952,434.427,1.989,6,0.405,0.63,1.0,0.013030292646151737,0.04089849907477212,0.03839695702830512,0.04118120759372216,0.03337673908573778
EOS-3-18792,Cc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)nn1,XDBGNOTYBAHXLL-UHFFFAOYSA-N,3,1,0.548,4,32,448.849,3.718,5,0.4,0.68,1.0,0.8115704886573916,0.9433383592625592,0.37701322733191694,0.4669488040572956,0.6497177198272909
EOS-3-18793,Cc1n[nH]c(-c2cc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)ccn2)n1,VSFKINYHRQNVMD-UHFFFAOYSA-N,3,1,0.243,94,342,432.451,3.404,6,0.449,0.66,0.768,0.08530087039956137,0.03727468987732164,0.18478000137070796,0.2245305325200466,0.1329715235419094
EOS-3-18794,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(Cl)nc4OCC4OCCO4)n23)nc1,OGCXPPGQFODJRF-UHFFFAOYSA-N,3,1,0.298,63,108,454.834,1.147,5,0.419,0.62,0.765,0.3166592419984922,0.19303851689397575,0.10374545952984716,0.09391062984031252,0.1768384620656569
EOS-3-18796,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccno6)cn5)n34)n2)nn1,MBKGTWYBHQKBKT-UHFFFAOYSA-N,3,1,0.302,70,387,434.423,3.064,6,0.407,0.64,1.0,0.07461791515317662,0.051641422794873555,0.10107257898704682,0.11083887327804812,0.08454269755328628
EOS-3-18797,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)nn5)n4)n23)cc1,OBJACHOZOPJURQ-UHFFFAOYSA-N,3,1,0.314,98,890,457.849,1.673,6,0.383,0.66,0.996,0.031055102460420807,0.1634569255020218,0.021999862929202932,0.04499348913713933,0.06537634500719622
EOS-3-18798,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ncn2)n1,MGRZHFDZBAXTOM-UHFFFAOYSA-N,3,1,0.489,36,463,436.386,2.288,5,0.394,0.66,1.0,0.46432732506339525,0.4279778630662737,0.33192550202179427,0.3084606949489411,0.38317284627510106
EOS-3-18799,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6nccs6)n5)n34)cc2)nn1,SXBFKWGYQOXSFR-UHFFFAOYSA-N,3,1,0.307,38,193,438.48,3.167,6,0.412,0.64,1.0,0.03915941333698855,0.0879823178671784,0.09147762319237886,0.0979884860530464,0.07915196011239804
EOS-3-18800,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12,VXYDBKKRHFOAMF-UHFFFAOYSA-N,3,1,0.337,8,754,438.48,3.167,6,0.412,0.64,1.0,0.056130491398807485,0.10359125488314715,0.04272325406072236,0.06312966897402508,0.06639366732917551
EOS-3-18801,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cn2)nc1,NUIUAJOZHLMJAU-UHFFFAOYSA-N,3,1,0.32,86,557,420.396,2.755,6,0.419,0.72,1.0,0.18143033376739084,0.12644781029401686,0.1377475841272017,0.14231375505448565,0.14698487081077374
EOS-3-18802,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)c(F)c1,LPNWFXBPTUAHTN-UHFFFAOYSA-N,3,1,0.489,73,526,437.385,3.583,5,0.418,0.66,1.0,0.594827290795696,0.6117555342334315,0.8261085600712769,0.8011359742306902,0.7084568398327736
EOS-3-18803,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)c1,BHPSRTRDUXVHOG-UHFFFAOYSA-N,3,1,0.538,59,16,417.379,3.501,5,0.432,0.77,1.0,0.8319683366458775,0.7963984648070729,0.7115259406483448,0.69994345829621,0.7599590500993764
EOS-3-18804,Cn1cnc(-c2ncncc2-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c1,HAZNEQVYPSDVCH-UHFFFAOYSA-N,3,1,0.634,84,276,450.865,3.396,5,0.391,0.7,1.0,0.7190905352614625,0.6596275101089712,0.5665050373517923,0.5920516071550956,0.6343186724693304
EOS-3-18805,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)n(C(F)F)n1,CEFCYXSAIAPGHU-UHFFFAOYSA-N,3,1,0.518,65,981,449.425,3.165,5,0.373,0.73,1.0,0.552815091494757,0.5082585155232677,0.2620279624426016,0.2071739428414776,0.382568878075526
EOS-3-18806,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5C)n34)ncn2)o1,YXYHCCHFLFVYOX-UHFFFAOYSA-N,3,1,0.467,4,463,434.847,3.481,5,0.409,0.69,1.0,0.4815125762456309,0.6840175450620245,0.21559522993626207,0.2336029059008978,0.4036820642862038
EOS-3-18807,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)c2)nn1,IAXXYWZIQMDRAQ-UHFFFAOYSA-N,3,1,0.443,44,16,447.861,4.323,5,0.396,0.69,0.999,0.55023644712494,0.602100609965047,0.7272119799876636,0.7379549037077651,0.654375985196354
EOS-3-18808,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)n1,CQCUCKPLPGOSGI-UHFFFAOYSA-N,3,1,0.506,73,325,446.421,3.246,5,0.392,0.67,1.0,0.9428157768487424,0.9008292783222535,0.40957610856007126,0.38179357137961756,0.6587536837776711
EOS-3-18809,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)nn1C,NETFMRIMYXOUGZ-UHFFFAOYSA-N,3,1,0.536,4,463,432.875,3.523,5,0.419,0.68,1.0,0.571850798437393,0.7713659104927695,0.34661777808237954,0.3495305325200466,0.5098412548831472
EOS-3-18810,N#Cc1ncc(COc2cncc3nnc(-c4cncc(-c5cnc(F)c(F)c5)c4)n23)cn1,MCTLNEHFQYLGIE-UHFFFAOYSA-N,3,1,0.429,2,419,443.377,2.767,5,0.377,0.7,1.0,0.7894763895552053,0.7499057638270167,0.7139932149955452,0.6566376533479542,0.7275032554314304
EOS-3-18811,NC(=O)c1cncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cn1,CRQYGEQECCZKLT-UHFFFAOYSA-N,3,1,0.49,65,578,457.429,1.898,5,0.362,0.71,1.0,0.534841683229388,0.25734185456788433,0.2053149201562607,0.1709358508669728,0.29210857720512645
EOS-3-18812,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)s5)n34)nc2)no1,OJTKXRHTGRQYRI-UHFFFAOYSA-N,3,1,0.326,32,945,438.476,4.335,6,0.4,0.74,1.0,0.13967514221095195,0.17603317113289013,0.11148995956411487,0.13781611952573505,0.141253598108423
EOS-3-18813,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-n5cccn5)cn4)n23)cc1,PKMYGKHMHJDVSZ-UHFFFAOYSA-N,3,1,0.432,56,197,451.454,2.142,6,0.374,0.63,1.0,0.3596395038037146,0.18428311973134123,0.09856247001576314,0.07185936536220958,0.17858611472825714
EOS-3-18814,Cc1nnn(C)c1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)no1,OCCUTLGWWPBWHD-UHFFFAOYSA-N,3,1,0.392,33,760,432.404,0.956,5,0.408,0.66,0.981,0.12339798505928312,0.08129154958536083,0.010777191419368103,0.003418203001850456,0.05472123226646563
EOS-3-18815,Fc1cc(F)cc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)c1,KPZPXDASTGJFFA-UHFFFAOYSA-N,3,1,0.577,51,969,418.367,2.896,5,0.429,0.7,1.0,0.6257281886094168,0.6891062984031252,0.5630182989514084,0.570197381947776,0.6120125419779316
EOS-3-18816,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ncncn5)c(Cl)c4)n23)c1,SIXSGFPCTJBFQA-UHFFFAOYSA-N,3,1,0.53,16,772,451.277,3.924,5,0.396,0.68,1.0,0.9083253375368378,0.828010417380577,0.6906997464190254,0.7456822698923994,0.7931794428072099
EOS-3-18817,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,UXHGGKZEPMDYKP-UHFFFAOYSA-N,3,1,0.311,9,98,449.478,4.095,6,0.387,0.74,1.0,0.08530943732437804,0.0847354533616613,0.1315451305599342,0.13541738057706806,0.10925185045576041
EOS-3-18818,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnccn5)c4)n23)cc1,YOECZLSTXQJFMT-UHFFFAOYSA-N,3,1,0.653,97,540,415.844,3.876,5,0.43,0.8,1.0,0.9114950997190049,0.95014906449181,0.652337057089987,0.6740542115002399,0.7970088582002605
EOS-3-18819,Cc1ccc(COc2cncc3nnc(-c4cc(F)cc(-c5cc(F)ccn5)c4)n23)nn1,XZEVBVNXUZBCKP-UHFFFAOYSA-N,3,1,0.548,4,534,431.406,3.809,5,0.418,0.67,1.0,0.5397590980741553,0.512610513330135,0.6879411966280584,0.680059625796724,0.6050926084572682
EOS-3-18820,Fc1cc(Cl)nc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,ZOGIJYWQQORDHV-UHFFFAOYSA-N,3,1,0.553,11,300,447.861,4.057,5,0.362,0.74,1.0,0.9608405866630114,0.947955931738743,0.6079089849907477,0.6306456034541841,0.7868377767116717
EOS-3-18821,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)o1,IJAYZTDOAIUSRT-UHFFFAOYSA-N,3,1,0.645,2,884,436.834,4.521,5,0.4,0.79,1.0,0.8510297443629635,0.7841049276951545,0.8479627852785964,0.8203173188952094,0.8258536940579809
EOS-3-18822,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc(F)c(F)c4)n23)cc1,KALXWAVIGQYBSN-UHFFFAOYSA-N,3,1,0.651,90,133,410.384,2.446,4,0.491,0.82,1.0,0.7158436707559455,0.3670413268453156,0.6109074086765814,0.4637019395517785,0.5393735864574053
EOS-3-18823,Cc1cc(-c2cc(-c3nnc4cncc(Cc5cccc(Cl)c5F)n34)ccn2)ncn1,BUJJXFXCDCBBPB-UHFFFAOYSA-N,3,1,0.367,14,81,431.862,4.335,5,0.421,0.73,1.0,0.43621924473990814,0.4097217462819546,0.7729336577342197,0.7900161058186553,0.6022226886436844
EOS-3-18824,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)cn1,LILDNIZMGVWGSR-UHFFFAOYSA-N,3,1,0.404,7,128,431.847,2.974,5,0.413,0.63,1.0,0.5015077787677336,0.6353231444040847,0.23365430744979782,0.2423840038379823,0.4032173086148996
EOS-3-18825,CCn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(=O)OC)nc5)n34)c2)cn1,PRKHZWQVLYDUNF-UHFFFAOYSA-N,3,1,0.311,92,974,427.428,2.313,5,0.388,0.68,1.0,0.04063292440545542,0.06706188746487561,0.08671441299431157,0.039896168871221986,0.05857634843396615
EOS-3-18826,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c2)cn1,OHXZSFYYUGZAGQ-UHFFFAOYSA-N,3,1,0.383,7,828,432.835,2.369,5,0.408,0.63,0.939,0.40233705708998696,0.4457627989856761,0.13450928654650127,0.1496984442464533,0.2830768967171544
EOS-3-18827,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccnc(F)c5)ncc4F)n23)cc1,PILGXNYVIQGXII-UHFFFAOYSA-N,3,1,0.465,89,731,474.431,2.86,5,0.373,0.75,1.0,0.679622712631074,0.38600849838941814,0.4392605030498252,0.32704235487629363,0.45798351723665276
EOS-3-18828,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5ccc(F)nc5)n4)n23)cc1,DYALANPCHBGBOY-UHFFFAOYSA-N,3,1,0.457,89,731,474.431,2.86,5,0.373,0.75,1.0,0.5634894798163251,0.3907545747378521,0.4675913234185457,0.3495390994448633,0.4428436193543966
EOS-3-18829,Fc1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)n2)ccc1Cl,UJSIQABGZDVMFT-UHFFFAOYSA-N,3,1,0.33,29,315,454.803,4.435,5,0.396,0.73,0.84,0.4133112877801384,0.6694195051744226,0.8810653827702009,0.9035621273387705,0.7168395757658831
EOS-3-18830,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1F,SWBIVTPXSUNWQL-UHFFFAOYSA-N,3,1,0.585,4,353,435.85,3.958,5,0.415,0.68,1.0,0.6578627235967377,0.754309163182784,0.7063772188335276,0.7191762045096293,0.7094313275306696
EOS-3-18831,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cc2Cl)n1,NTLMBRRRJSUWOK-UHFFFAOYSA-N,3,1,0.512,16,772,435.85,3.958,5,0.415,0.68,1.0,0.6974333493249263,0.7037300390651772,0.8094458913028579,0.7990456445754232,0.7524137310670962
EOS-3-18832,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,BRWPLJDBDHWXEY-UHFFFAOYSA-N,3,1,0.317,3,668,419.452,3.44,6,0.435,0.71,1.0,0.008549790967034473,0.026069152217120143,0.3880645603454184,0.4033736549928038,0.2065142896305942
EOS-3-18833,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(C)nn5)s4)n23)cc1F,XYNAANYJYNJYAN-UHFFFAOYSA-N,3,1,0.473,53,226,477.485,2.486,5,0.391,0.75,1.0,0.41553012130765543,0.4097303132067713,0.06460318004249195,0.046321362483722844,0.2340462442601604
EOS-3-18834,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnc5F)n4)n23)cn1,BODQRQSYSFYWDP-UHFFFAOYSA-N,3,1,0.529,4,390,431.406,3.809,5,0.391,0.75,1.0,0.6733602905900897,0.7362500856692482,0.6635254609005551,0.6038568295524639,0.6692481666780893
EOS-3-18835,FCc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1Cl,SYNIRXTWSBCONL-UHFFFAOYSA-N,3,1,0.588,90,281,436.249,4.723,4,0.409,0.76,1.0,0.9688163936673292,0.9784541840860804,0.9462939483243095,0.9578507299019944,0.9628538139949284
EOS-3-18836,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)nc2)ccn1,KEGJGUOCSDMRAA-UHFFFAOYSA-N,3,1,0.262,94,874,448.425,3.301,6,0.374,0.67,1.0,0.23942841477623192,0.3431396066068124,0.46381330957439515,0.4698958261942293,0.37906928928791717
EOS-3-18837,Cn1cc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)cn2)cn1,FQVJGUIWCLGXGN-UHFFFAOYSA-N,3,1,0.378,85,674,412.413,2.271,5,0.466,0.77,1.0,0.07462648207799329,0.014666575286135288,0.21916763758481256,0.1203138921252827,0.10719364676855596
EOS-3-18838,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)cc1,NLDXFXLVIKNPGR-UHFFFAOYSA-N,3,1,0.585,89,12,410.384,3.063,4,0.525,0.81,1.0,0.5890189157699952,0.3907631416626688,0.7705777534096361,0.5828421629771777,0.5833004934548695
EOS-3-18839,Cn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cnn2)c1F,CBCMAJJWBSMAFI-UHFFFAOYSA-N,3,1,0.394,53,915,437.826,2.748,5,0.413,0.63,1.0,0.5164827633472688,0.5355613049139881,0.3915769995202522,0.42904016174354054,0.4681653073812625
EOS-3-18840,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)cn1,LFDJYPIWJZVHON-UHFFFAOYSA-N,3,1,0.506,36,391,437.826,2.748,5,0.413,0.63,1.0,0.6174525392365157,0.8243352066342265,0.4243883215680899,0.4759012404907135,0.5855193269823864
EOS-3-18841,COc1cc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)ccc1-c1ccccn1,MAALLQPHVFDWGR-UHFFFAOYSA-N,3,1,0.48,35,777,443.442,3.413,5,0.377,0.67,1.0,0.8731666780892331,0.7269549722431636,0.3806884380782674,0.3084692618737578,0.5723198375711055
EOS-3-18842,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(Cl)cn5)n4)n23)cc1,INKAXCQFKAHECV-UHFFFAOYSA-N,3,1,0.338,38,865,466.896,3.759,6,0.386,0.71,1.0,0.17537351792200673,0.24255534233431567,0.23700397505311493,0.2898362003975053,0.23619225892673562
EOS-3-18843,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cn1,XXJPTKAHVAOXSI-UHFFFAOYSA-N,3,1,0.489,27,69,452.4,3.58,5,0.402,0.66,1.0,0.5528236584195737,0.6255568501130834,0.8810739496950175,0.7431293262970324,0.7006459461311767
EOS-3-18844,c1cnc(-c2cnccn2)c(-c2nnc3cncc(-c4ccc(-c5ccncn5)cc4)n23)c1,BTTRPWPPBHXNHP-UHFFFAOYSA-N,3,1,0.284,42,327,429.447,3.767,6,0.417,0.68,1.0,0.12614796792543348,0.09095504077856213,0.40269686793228704,0.4195051744225893,0.259826262764718
EOS-3-18845,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1cccnc1,FVTGNJBVMPYVCY-UHFFFAOYSA-N,3,1,0.517,35,103,442.454,4.018,5,0.376,0.72,1.0,0.9170121993009389,0.8454698101569461,0.7522102666027003,0.662574532245905,0.7943167020766225
EOS-3-18846,COc1nc(-c2nnc3cncc(Cc4cccc(C#N)c4)n23)ccc1-c1nncc(C)n1,ZTZRVZXNEZPGLC-UHFFFAOYSA-N,3,1,0.296,85,60,435.451,2.818,5,0.409,0.65,0.925,0.3412034815982455,0.22744328695771365,0.21560379686107875,0.18473716674662463,0.24224693304091563
EOS-3-18847,COc1c(Cl)ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)c1Cl,PYOPAGQTGBQVQT-UHFFFAOYSA-N,3,1,0.345,22,844,453.293,3.964,5,0.406,0.72,1.0,0.2687701322733192,0.405069906106504,0.5091152080049346,0.5603882530326914,0.43583587485436226
EOS-3-18848,CCOc1cnc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)cn1,NBUDPIZXCOUBHH-UHFFFAOYSA-N,3,1,0.549,90,281,414.828,3.394,4,0.458,0.76,1.0,0.7036786375162771,0.7362586525940649,0.5533976423822905,0.5443167020766225,0.6344129086423137
EOS-3-18849,CC(F)(F)c1ncc(-c2nnc3cncc(-c4cnc(-c5ccnc(C#N)c5)cn4)n23)cn1,AKXTUZMJSKEMPA-UHFFFAOYSA-N,3,1,0.287,50,845,442.393,3.084,5,0.412,0.63,1.0,0.2662086217531355,0.2939825920087725,0.6079175519155644,0.4543639915016106,0.4056181892947708
EOS-3-18850,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2Cl)nn1,HDEPPUISPJXDBW-UHFFFAOYSA-N,3,1,0.511,20,846,448.849,3.452,5,0.389,0.65,1.0,0.8710592145843328,0.9008378452470701,0.522899390034953,0.5764084024398601,0.7178012130765541
EOS-3-18851,Fc1cc(Cl)ccc1-c1cnnc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,SWUMARNKOIRDME-UHFFFAOYSA-N,3,1,0.478,20,207,448.849,3.452,5,0.389,0.65,1.0,0.6644421218559385,0.7316582139675142,0.5364436981701048,0.6276985813172503,0.6400606538277019
EOS-3-18853,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)c1F,KXTPOMDAVYJAMA-UHFFFAOYSA-N,3,1,0.516,15,589,433.422,3.487,5,0.408,0.67,1.0,0.7341683229387979,0.6499297512165033,0.6079261188403811,0.5828507299019944,0.6437187307244192
EOS-3-18854,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cccc(C)n5)ncc4F)n23)ccn1,HLIKBZNYBVCDSQ-UHFFFAOYSA-N,3,1,0.478,24,43,427.443,3.978,5,0.419,0.73,0.995,0.7522016996778836,0.588222191762045,0.5857377835652114,0.46990439311904597,0.5990165170310465
EOS-3-18855,Cc1nc(-c2cc(Cl)cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n(C)n1,ANYSEPXRRUVNSZ-UHFFFAOYSA-N,3,1,0.553,89,250,474.912,3.227,5,0.4,0.72,1.0,0.5164913302720855,0.40507847303132066,0.3024467137276403,0.24510828592968267,0.3672812007401823
EOS-3-18856,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)c1,HPZXREIVKYIVNP-UHFFFAOYSA-N,3,1,0.409,7,94,435.81,2.805,5,0.41,0.62,1.0,0.4989976697964499,0.5126190802549517,0.44272154067575903,0.5073589884175177,0.4904243197861695
EOS-3-18857,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)c(F)c1,UCFWXSQKLOGSJZ-UHFFFAOYSA-N,3,1,0.467,7,610,431.435,2.886,5,0.404,0.69,1.0,0.4002552943595367,0.44577136591049277,0.14361592762661915,0.122524158727983,0.2780416866561579
EOS-3-18859,COC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4Oc4cccc(F)c4)n23)nc1,DFLDCOQXQBTWLM-UHFFFAOYSA-N,3,1,0.366,96,586,442.41,3.966,5,0.377,0.75,1.0,0.4249880063052567,0.4235316290864231,0.5091237749297512,0.409944486327188,0.44189697416215473
EOS-3-18860,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)c(F)c4F)n23)cc1,QXOHWPZUFGLWOE-UHFFFAOYSA-N,3,1,0.419,0,999,409.371,3.768,5,0.521,0.88,1.0,0.36651874443149884,0.4677026934411624,0.8052395312178741,0.8562555685011308,0.6239291343979165
EOS-3-18861,Cc1nn(C)cc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)ncn1,VUCYVARLIVZXJS-UHFFFAOYSA-N,3,1,0.404,31,128,433.863,2.918,5,0.416,0.66,1.0,0.3087605373175245,0.432561167843191,0.20162257556027688,0.19555719279007608,0.2846253683777671
EOS-3-18862,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccn1,BEWHSUFWPXNTCF-UHFFFAOYSA-N,3,1,0.477,7,535,433.863,2.918,5,0.416,0.66,1.0,0.3315913919539442,0.37174456856966626,0.2191762045096292,0.19014289630594203,0.2781637653347954
EOS-3-18863,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)cn2)cn1,IMEHTHBIQIUGLZ-UHFFFAOYSA-N,3,1,0.5,55,109,447.861,4.323,5,0.396,0.76,1.0,0.8036032485778904,0.8782297306558837,0.752218833527517,0.7508995271057501,0.7962378349667603
EOS-3-18864,Cc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1cncc(F)c1,WOUGJMKZBWKPSU-UHFFFAOYSA-N,3,1,0.44,46,62,431.406,3.809,5,0.418,0.68,1.0,0.7462733877047495,0.5882307586868618,0.7244876978959632,0.6971763415804263,0.6890420464670002
EOS-3-18865,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4cnc(C(F)F)cn4)n23)c(F)c1,SFNFJSXHDURWHT-UHFFFAOYSA-N,3,1,0.418,50,542,439.361,3.246,5,0.411,0.66,1.0,0.4865327941881982,0.5928825988623124,0.6228668357206497,0.557329860873141,0.5649030224110754
EOS-3-18866,COCn1c(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5)n34)n2)cnc1C,UWXPFPZHYRTAKE-UHFFFAOYSA-N,3,1,0.495,7,212,446.446,3.075,5,0.376,0.69,1.0,0.6062555685011308,0.5633695428688917,0.2729422246590364,0.24814097731478307,0.42267707833596047
EOS-3-18867,COc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ncn2)nn1,HGFNVWGTUMUNOV-UHFFFAOYSA-N,3,1,0.436,46,726,447.846,2.674,5,0.383,0.63,0.952,0.420284764580906,0.4235401960112398,0.22264580906037967,0.21024946885066137,0.3191800596257967
EOS-3-18868,CCn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3ccc(-c4cncn4C)nc3)n12,PDHSQKMCNOZSKG-UHFFFAOYSA-N,3,1,0.291,99,754,454.523,3.594,6,0.392,0.72,1.0,0.05962579672400795,0.05936022205469125,0.03840552395312179,0.05422863408950723,0.052905044205332055
EOS-3-18869,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)s4)n23)cc1,QELUCGXBXAEHEP-UHFFFAOYSA-N,3,1,0.343,52,582,443.557,5.141,6,0.408,0.86,1.0,0.17004489068603934,0.0813001165101775,0.26560037009115206,0.34624083339044615,0.21579655266945375
EOS-3-18870,Cc1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5cnc(Cl)cn5)cn4)n23)cc1,MXOFDGMZJXETFD-UHFFFAOYSA-N,3,1,0.531,7,408,454.881,3.312,5,0.381,0.69,1.0,0.7609742306901515,0.8315828250291275,0.5534062093071072,0.47590980741553013,0.6554682681104791
EOS-3-18871,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n(C)n2)s1,CMAVSNZUCSHCMR-UHFFFAOYSA-N,3,1,0.39,52,310,473.522,3.036,6,0.399,0.77,1.0,0.36410287163319854,0.1595761085600713,0.013407237338085121,0.01110273456240148,0.13704723802343913
EOS-3-18872,CCc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1ncccn1,RKBORBSSRDBJAK-UHFFFAOYSA-N,3,1,0.421,46,717,445.433,4.063,5,0.389,0.73,0.998,0.7400795010622987,0.6255654170379,0.5397333972997053,0.5272513878418204,0.608157425810431
EOS-3-18873,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4F)n23)cn1,GTPRLRBIESRUDT-UHFFFAOYSA-N,3,1,0.415,82,451,458.457,3.186,5,0.43,0.65,1.0,0.6174611061613323,0.49455143581659927,0.28437050236447126,0.17094441779178945,0.39183186553354804
EOS-3-18874,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)ccc1Cl,ZJCSFQRMVOZMIT-UHFFFAOYSA-N,3,1,0.523,59,817,451.824,4.154,5,0.396,0.72,1.0,0.8531886094167638,0.9521451579740936,0.8662960043862655,0.8794976355287506,0.8877818518264684
EOS-3-18876,Fc1ccccc1-c1noc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,BGIKIIKXMADGJO-UHFFFAOYSA-N,3,1,0.395,93,203,435.422,4.709,6,0.396,0.81,1.0,0.32658830786101023,0.44119662805839216,0.5498680693578233,0.6306541703790007,0.4870767939140566
EOS-3-18877,c1nncc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)n2)n1,GGWOGAYHJWRUOY-UHFFFAOYSA-N,3,1,0.25,86,957,436.464,3.224,6,0.41,0.64,0.966,0.07885854293742718,0.0777619765608937,0.15575526009183743,0.19556575971489273,0.12698538482626276
EOS-3-18878,Fc1ccccc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,JVVWBQOAEUSSGD-UHFFFAOYSA-N,3,1,0.462,19,503,447.861,4.057,5,0.387,0.71,1.0,0.7370725104516482,0.7409704612432322,0.5766311424850935,0.677121170584607,0.6829488211911452
EOS-3-18879,Cn1nc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)cc1-c1ccccc1F,XDUXVANUAGVGAO-UHFFFAOYSA-N,3,1,0.448,95,965,437.385,3.583,5,0.418,0.67,1.0,0.5090809403056679,0.4279864299910904,0.7821688026865876,0.8011445411555068,0.6300951785347132
EOS-3-18880,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)nc2)n1,GVPYEOQTSZTHRG-UHFFFAOYSA-N,3,1,0.278,86,812,434.423,3.064,6,0.407,0.67,1.0,0.16197484750873825,0.09408196833664588,0.1590106915221712,0.14476389555205263,0.139957850729902
EOS-3-18882,Clc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)nc1,QCMGSFBFBJVJRV-UHFFFAOYSA-N,3,1,0.47,51,196,421.873,3.937,5,0.424,0.75,1.0,0.5890274826948119,0.5882393256116785,0.3617212665341649,0.4131742169830718,0.48804057295593173
EOS-3-18883,N#Cc1cccc(COCc2cncc3nnc(-c4ccnc(-c5ccnc(F)c5)c4)n23)c1,GZLWPLJPXOIMPJ-UHFFFAOYSA-N,3,1,0.469,14,183,437.438,3.976,5,0.37,0.76,1.0,0.5164998971969021,0.4719518881502296,0.8648481940922487,0.842197244876979,0.6738743060790899
EOS-3-18884,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncn5C)nc4)n23)c(F)c1,FPQSHTAZJAEUSA-UHFFFAOYSA-N,3,1,0.326,94,369,451.469,3.793,6,0.405,0.68,1.0,0.2394369817010486,0.29877150298128985,0.6199283805085326,0.5702059488725927,0.43208570351586595
EOS-3-18885,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nn1,DZVGGMRRKDUXAQ-UHFFFAOYSA-N,3,1,0.324,38,787,431.463,3.711,6,0.419,0.67,1.0,0.11254369131656501,0.05164998971969022,0.27295079158385305,0.2989171407031732,0.18401540333082037
EOS-3-18886,Cc1nccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)n1,OJBHURCDSUSUMC-UHFFFAOYSA-N,3,1,0.411,1,412,431.406,4.682,5,0.399,0.79,1.0,0.837014255362895,0.7223202659173463,0.8447416215475293,0.7431378932218491,0.786803509012405
EOS-3-18887,Cc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(C(F)F)nc5)nc(C)n4)n23)n1,XFKKEBJPIPSALZ-UHFFFAOYSA-N,3,1,0.374,7,500,461.436,3.567,5,0.374,0.72,1.0,0.5090895072304845,0.4457799328353094,0.3579946542389144,0.242392570762799,0.3888141662668768
EOS-3-18888,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)nc1,AMAXIFACIZPADY-UHFFFAOYSA-N,3,1,0.358,80,318,450.466,3.175,6,0.393,0.67,1.0,0.40443595367007057,0.24766122952504968,0.16529881433760538,0.11084744020286479,0.2320608594338976
EOS-3-18889,c1cnc(-c2ccc(-c3nnc4cncc(Oc5cnc(-c6nnco6)cn5)n34)nc2)nc1,SATBLQAWTCMUBT-UHFFFAOYSA-N,3,1,0.33,80,34,437.383,2.276,6,0.388,0.65,1.0,0.43856658213967514,0.2525101089712837,0.06655643890069221,0.05287505996847372,0.2026270474950312
EOS-3-18890,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)n2)n1,SAABTOUEXNPINS-UHFFFAOYSA-N,3,1,0.284,99,601,436.443,1.839,6,0.406,0.63,0.957,0.07463504900280996,0.03728325680213831,0.025049688163936674,0.021323075868686175,0.03957276745939278
EOS-3-18891,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccn(C)n5)n34)nc2)nn1,MBWQPMJTVHCGIZ-UHFFFAOYSA-N,3,1,0.238,86,953,436.443,1.839,6,0.406,0.63,0.724,0.00855835789185114,0.010340278253718046,0.036983414433554934,0.03430196696593791,0.022546004386265507
EOS-3-18892,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)nn2)n1,QYSYPICCAIVWBB-UHFFFAOYSA-N,3,1,0.247,99,813,436.443,1.839,6,0.406,0.63,0.871,0.031063669385237476,0.016080117880885477,0.06267562195874168,0.054237201014323895,0.04101415255979713
EOS-3-18893,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1,AHMJSFXWCPMFAQ-UHFFFAOYSA-N,3,1,0.466,18,529,434.912,4.585,5,0.389,0.79,1.0,0.6613066273730381,0.7543177301076006,0.5794410938249606,0.6367452539236516,0.6579526763073127
EOS-3-18894,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnco6)nc5)n34)n2)cn1,CNYKECSTDGSSFS-UHFFFAOYSA-N,3,1,0.301,86,952,443.818,2.532,6,0.373,0.69,0.998,0.056139058323624154,0.18023953121787403,0.10375402645466383,0.17928003563840725,0.12985316290864232
EOS-3-18895,Clc1cnc(-c2ncccc2-c2nnc3cncc(-c4ncn(-c5cnccn5)n4)n23)nc1,TUKDQYKMUZCIOF-UHFFFAOYSA-N,3,1,0.264,86,249,454.845,2.334,6,0.39,0.64,1.0,0.020954698101569462,0.1367109862243849,0.04597868549105613,0.090055513672812,0.07342497087245563
EOS-3-18896,Cc1noc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)nn2)n1,KLBSBPGUGOXBAX-UHFFFAOYSA-N,3,1,0.323,99,502,454.414,1.923,6,0.373,0.71,1.0,0.3482369268727298,0.16346549242683847,0.016714070317318894,0.008455554794051127,0.13421801110273457
EOS-3-18897,COCn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(OC)c5)n34)cn2)n1,NTCSBXUCSWEHII-UHFFFAOYSA-N,3,1,0.33,22,985,449.862,2.773,5,0.385,0.71,1.0,0.4044445205948873,0.5126276471797684,0.15901925844698786,0.1847457336714413,0.3152092899732712
EOS-3-18898,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3ccccc3F)n12,HMHDXRIPZCIOCA-UHFFFAOYSA-N,3,1,0.624,49,804,445.458,3.356,5,0.379,0.7,1.0,0.6457919265300528,0.4766379960249469,0.3319340689466109,0.26008327050921803,0.4286118155027071
EOS-3-18899,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(F)cn4)n23)c(Cl)c1,HUKLIXKWUXJBKB-UHFFFAOYSA-N,3,1,0.5,20,908,451.853,2.791,5,0.387,0.66,1.0,0.6733688575149065,0.722328832842163,0.2916523884586389,0.34624940031526286,0.5083998697827428
EOS-3-18900,FCc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)cn5)c4)n23)cn1,ROIFXNYFEXAKLX-UHFFFAOYSA-N,3,1,0.467,55,879,432.394,3.226,5,0.403,0.67,1.0,0.651951545473237,0.6550356384072373,0.5857463504900281,0.517459392776369,0.6025482317867178
EOS-3-18901,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccnc(F)c5)nc4)n23)cn1,CTSRGVLXRBMGNZ-UHFFFAOYSA-N,3,1,0.317,86,780,451.429,2.64,6,0.372,0.68,1.0,0.21455006510862862,0.24256390925913235,0.20163114248509356,0.22453909944486328,0.22082105407442945
EOS-3-18902,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)ccn2)cn1,IIJSAVPROAYIQK-UHFFFAOYSA-N,3,1,0.675,75,360,445.433,3.851,5,0.392,0.7,1.0,0.8731752450140498,0.7671938181070523,0.7244962648207799,0.6682458364745391,0.7582777911041053
EOS-3-18903,COC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc[nH]5)cn4)n23)cn1,GDQNZRFUEDFRBS-UHFFFAOYSA-N,3,1,0.404,7,535,429.4,1.732,5,0.396,0.69,1.0,0.4385751490644918,0.2939911589335892,0.06268418888355835,0.02302789390720307,0.2045695976972106
EOS-3-18904,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4Cl)n23)cc1,VWNXYPJTMIDZQV-UHFFFAOYSA-N,3,1,0.456,62,451,473.924,4.306,5,0.408,0.79,1.0,0.6644506887807553,0.4851278185182647,0.5018932903844836,0.3753255431430334,0.5066993352066342
EOS-3-18905,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cn1,XWDGDPRDFPACKM-UHFFFAOYSA-N,3,1,0.31,42,171,446.449,4.511,6,0.368,0.79,0.999,0.2793845521211706,0.40050373517922006,0.7865293674182715,0.7829398259200877,0.5623393701596875
EOS-3-18906,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)c1,ZQSFSLWGEWDZER-UHFFFAOYSA-N,3,1,0.316,42,818,446.449,4.511,6,0.393,0.75,1.0,0.3781183606332671,0.4325697347680077,0.677249674456857,0.6944863271879926,0.545606024261531
EOS-3-18907,Clc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)cn1,FISMKWWRSLOPRV-UHFFFAOYSA-N,3,1,0.325,42,136,464.88,3.816,6,0.358,0.74,0.994,0.2904615859091221,0.3431481735316291,0.33913885271742855,0.41318278390788843,0.34648284901651705
EOS-3-18908,COc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(C#N)cc4)n23)cc1F,XBECLRHKOMLGGL-UHFFFAOYSA-N,3,1,0.425,62,3,422.423,4.54,5,0.422,0.81,1.0,0.5320917003632376,0.6398207799328353,0.9140394763895552,0.8866767185251182,0.7431571688026866
EOS-3-18909,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)cc1F,GIRXETJRSDQNAU-UHFFFAOYSA-N,3,1,0.506,37,353,450.865,3.396,5,0.391,0.67,1.0,0.7522102666027003,0.8243437735590432,0.44622541292577617,0.49719004866013294,0.6299923754369132
EOS-3-18910,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1F,GIXFIGFLVKQSMH-UHFFFAOYSA-N,3,1,0.5,37,482,450.865,3.396,5,0.391,0.67,1.0,0.7753923651566034,0.8165821396751423,0.41679802618052225,0.4637105064765952,0.6181207593722158
EOS-3-18911,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cn5)ncc4F)n23)cc1,LIYQTOPIJFLROL-UHFFFAOYSA-N,3,1,0.557,59,805,475.871,3.719,5,0.397,0.73,1.0,0.8731838119388664,0.5882478925364951,0.7040213145089439,0.6538962374066205,0.7048373140977315
EOS-3-18912,Fc1ccc(Cl)cc1-c1nnc2cncc(-c3ccc(-c4ncnn4C(F)F)nn3)n12,MCOSIQWHYREDSH-UHFFFAOYSA-N,3,1,0.333,22,844,443.78,3.694,5,0.417,0.67,0.074,0.2662171886779522,0.4635134672058118,0.658111164416421,0.7534010691522172,0.5353107223631005
EOS-3-18913,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)cn4)n23)cc1,LTZIPRJHTOBFPH-UHFFFAOYSA-N,3,1,0.286,25,213,466.896,3.759,6,0.361,0.77,1.0,0.14263929819751903,0.242572476183949,0.3691659241998492,0.4699129600438627,0.306072664656295
EOS-3-18914,Cn1nncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c1,NDHTUSKUBDRUSN-UHFFFAOYSA-N,3,1,0.684,59,96,437.385,3.583,5,0.418,0.67,1.0,0.6945205948872593,0.6989239942430265,0.8928791720923858,0.8837982317867178,0.7925304982523473
EOS-3-18915,c1cncc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,JRQUBTNIZZTTOE-UHFFFAOYSA-N,3,1,0.452,56,425,449.438,2.402,6,0.402,0.64,1.0,0.4296141457062573,0.35263175930368035,0.14072030703858543,0.13118531971763417,0.2635378829415393
EOS-3-18916,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)c1,VEBNOFFWFORTJS-UHFFFAOYSA-N,3,1,0.578,4,71,435.85,3.958,5,0.415,0.69,1.0,0.6578712905215544,0.7132050579124117,0.7661743540538688,0.7688043999725859,0.7265137756151052
EOS-3-18917,N#Cc1ccc(-c2nnc3cncc(-c4ncnc(OCc5cccc(Cl)n5)n4)n23)cc1,UJQDUHODOHIQEY-UHFFFAOYSA-N,3,1,0.424,29,704,441.842,3.142,5,0.377,0.69,1.0,0.5217514221095195,0.6021091768898637,0.41293434308820504,0.45437255842642726,0.49779187512850387
EOS-3-18918,Cn1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cccnn1,FGSZSRRMHQJMBG-UHFFFAOYSA-N,3,1,0.549,72,32,418.848,3.214,5,0.432,0.75,1.0,0.5830734699472278,0.7626276471797684,0.3354636419710781,0.40338222191762046,0.5211367452539237
EOS-3-18919,COc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)nc2)n1,LAGGBETVTNQVTR-UHFFFAOYSA-N,3,1,0.379,51,128,430.403,2.765,5,0.401,0.64,0.991,0.667269207045439,0.5832191076691111,0.2806524569940374,0.21025803577547802,0.4353497018710164
EOS-3-18920,Cn1ccnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,HUJLIAREFQJNQU-UHFFFAOYSA-N,3,1,0.402,46,346,418.848,3.214,5,0.432,0.73,1.0,0.6145140840243986,0.5633781097937085,0.38444075114796794,0.3942413131382359,0.4891435645260777
EOS-3-18921,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2)cn1,CLEIHWIMAQIUHV-UHFFFAOYSA-N,3,1,0.488,16,519,418.848,3.214,5,0.432,0.73,1.0,0.4617658145432116,0.5355698718388048,0.48834898224933176,0.45749091905969436,0.4857938969227606
EOS-3-18922,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5cncc(Cl)c5)n34)nc2)c(F)c1,KNMLYONHIGESJN-UHFFFAOYSA-N,3,1,0.432,51,196,452.812,3.549,5,0.399,0.69,1.0,0.7252587211294633,0.7926547186621891,0.6285467068741005,0.6944948941128093,0.7102387601946406
EOS-3-18923,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)nc1,RTCCXOUWACWTEB-UHFFFAOYSA-N,3,1,0.263,99,601,436.443,1.839,6,0.406,0.62,1.0,0.024115893358919883,0.02843362346652046,0.03435336851483791,0.03537283256802138,0.03056892947707491
EOS-3-18924,COCc1ncc(-c2nnc3cncc(-c4cc(-c5ccccc5Cl)nc(C)n4)n23)cn1,QEBRLQBBQGWXQM-UHFFFAOYSA-N,3,1,0.341,82,155,444.886,3.814,5,0.403,0.7,1.0,0.33647453909944486,0.3813909259132342,0.29166095538345554,0.34294256733602907,0.3381172469330409
EOS-3-18925,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)ccn1,OPJXRHSYAZWPJX-UHFFFAOYSA-N,3,1,0.326,94,515,449.453,3.85,6,0.403,0.69,1.0,0.17538208484682338,0.20236789801932697,0.4498063874991433,0.48515351929271466,0.3281774724145021
EOS-3-18926,COc1ccc(Cl)cc1COc1cncc2nnc(-c3cncnc3-c3ncccc3F)n12,GVWDYPIWEFCDON-UHFFFAOYSA-N,3,1,0.447,59,109,463.86,4.023,5,0.372,0.75,1.0,0.7282742786649304,0.6694280720992393,0.6581197313412378,0.6425022274004524,0.6745810773764649
EOS-3-18927,Cc1ncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)cn2)nn1,JIFMTHHWOSLXRA-UHFFFAOYSA-N,3,1,0.341,42,106,462.452,3.61,6,0.387,0.68,1.0,0.25807861010211774,0.352640326228497,0.3133866767185251,0.3657905558220821,0.3224740422178055
EOS-3-18928,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)nn2C)nn1,ZNJSMNKAINCCHU-UHFFFAOYSA-N,3,1,0.429,53,477,431.435,2.446,5,0.403,0.69,0.997,0.3364831060242615,0.3038088547734905,0.0959923925707628,0.09799705297786307,0.20857035158659445
EOS-3-18929,CC(C)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)cn1,RIEKYVNLHDLZBS-UHFFFAOYSA-N,3,1,0.489,55,283,440.467,3.405,5,0.376,0.72,0.998,0.5115739154273182,0.30381742169830717,0.3880731272702351,0.2189106298403125,0.35559377355904326
EOS-3-18930,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)nc(-c2ccnc(F)c2)n1,GKFAGNMKWNFUAW-UHFFFAOYSA-N,3,1,0.438,51,85,458.417,1.559,5,0.37,0.69,1.0,0.5190357069426359,0.3283702282228771,0.05307209923925708,0.03115790555822082,0.23290898499074772
EOS-3-18931,Cc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)c(F)n1,JEQCZZNXLUFIIY-UHFFFAOYSA-N,3,1,0.322,98,973,454.433,2.072,6,0.367,0.65,1.0,0.03223733808512096,0.15195154547323692,0.051161675005140156,0.06164759098074155,0.0742495373860599
EOS-3-18932,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nn2)c1,NVDOMZICRDLALG-UHFFFAOYSA-N,3,1,0.33,10,37,451.881,4.149,6,0.397,0.71,1.0,0.009920498937701323,0.14796792543348639,0.4535415667192105,0.5732814748817764,0.2961778664930437
EOS-3-18933,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nc1,VBLWXKJIGZRFRU-UHFFFAOYSA-N,3,1,0.424,54,873,444.886,3.622,5,0.391,0.66,1.0,0.5475635665821397,0.5446508121444726,0.3391474196422452,0.36886608183126585,0.45005697005003087
EOS-3-18934,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ncn2)nn1,ZVHQSNNJBWTOGF-UHFFFAOYSA-N,3,1,0.551,44,481,444.886,3.622,5,0.391,0.68,0.99,0.6341580426290179,0.6117641011582482,0.3466263450071962,0.39424988006305256,0.4966995922143787
EOS-3-18935,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)nc1,ONGAMOPNFWSKOD-UHFFFAOYSA-N,3,1,0.295,10,952,455.873,2.883,6,0.398,0.66,0.983,0.017133849633335616,0.16733774244397231,0.11759817695839901,0.2102666027002947,0.12808409293400042
EOS-3-18936,COc1cc(-c2nnc3cncc(-c4cccnc4-c4ncc(F)c(C#N)n4)n23)ccc1Cl,YRAKAJKGFAHRFD-UHFFFAOYSA-N,3,1,0.312,96,856,458.844,3.983,5,0.397,0.72,1.0,0.5691265163456926,0.7037386059899938,0.6687769858131725,0.6771297375094236,0.6546929614145707
EOS-3-18937,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)n1,WDKYFZNKBXPQDH-UHFFFAOYSA-N,3,1,0.521,65,981,445.874,3.017,5,0.388,0.67,1.0,0.7670567473099856,0.8488623123843465,0.1982386402576931,0.23361147282571448,0.5119422931944348
EOS-3-18938,Cn1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)c2)n1,SMGZCPILVSUGTE-UHFFFAOYSA-N,3,1,0.494,36,258,449.862,2.102,5,0.414,0.67,1.0,0.5691350832705092,0.6255739839627168,0.34271126036597904,0.3591083544650812,0.4741321705160716
EOS-3-18939,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5nnn(C)n5)n4)n23)cc1,IBGCFNHZKZECKR-UHFFFAOYSA-N,3,1,0.536,36,926,474.46,1.497,5,0.372,0.74,1.0,0.4666489616887122,0.32383832499485987,0.04937975464327325,0.03018984305393736,0.2175142210951957
EOS-3-18940,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n(C)n2)n(C)n1,BOSIMNNNWRCBTP-UHFFFAOYSA-N,3,1,0.312,98,945,448.494,3.358,6,0.407,0.68,0.998,0.05614762524844082,0.05165855664450689,0.06269275580837502,0.07947536152422727,0.0624935748063875
EOS-3-18941,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cn1,BTVKYNZBGRBSJC-UHFFFAOYSA-N,3,1,0.467,7,535,451.372,3.089,5,0.384,0.68,1.0,0.6796312795558906,0.8049996573230074,0.6343550818998013,0.5373517922006716,0.6640844527448428
EOS-3-18942,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cn1,VXKDZLUEKNCHPG-UHFFFAOYSA-N,3,1,0.391,51,48,431.847,2.974,5,0.413,0.62,1.0,0.4791652388458639,0.47664656294976354,0.1879411966280584,0.19015146323075868,0.3334761154136111
EOS-3-18943,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1F,GDIOAZUSPQHPGW-UHFFFAOYSA-N,3,1,0.565,37,361,434.41,2.882,5,0.405,0.66,1.0,0.9019772462476869,0.7964070317318895,0.5163456925502021,0.48801487218148176,0.6756862106778151
EOS-3-18944,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)nc2)nc1,YSUBPNOKTUJLIG-UHFFFAOYSA-N,3,1,0.284,94,165,430.435,3.162,6,0.415,0.64,1.0,0.14264786512233568,0.11938009732026592,0.28809711465972176,0.2808751970392708,0.20775006853539854
EOS-3-18945,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccccc4)n23)cc1,OZTTVKXCPFDBGH-UHFFFAOYSA-N,3,1,0.377,9,625,432.491,4.259,6,0.416,0.71,1.0,0.06145911863477486,0.031243574806387498,0.42043896922760604,0.42272633815365634,0.23396700020560618
EOS-3-18946,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cc(=N)[nH]cn5)c(F)c4)n23)n1,QAUJHGXVZHMJLG-UHFFFAOYSA-N,3,1,0.5,4,92,428.431,3.082,5,0.444,0.73,1.0,0.6088170790213145,0.48976252484408195,0.5665136042766089,0.457499485984511,0.5306481735316292
EOS-3-18947,OCc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)nn1,WMJNQQBTJJCTJZ-UHFFFAOYSA-N,3,1,0.512,4,82,448.393,2.388,5,0.417,0.67,1.0,0.8246007813035433,0.7037471729148105,0.47417072167774654,0.44478616955657596,0.6118262113631691
EOS-3-18948,Cn1ncc(-c2ccc(Cc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)n1,PLWYSBIJBOHUJO-UHFFFAOYSA-N,3,1,0.322,67,890,449.482,2.368,6,0.394,0.63,1.0,0.08112021108902748,0.0554622712631074,0.12033102597491604,0.10002741415941334,0.08923523062161608
EOS-3-18949,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)c1Cl,QSQVDPIHLQQGGS-UHFFFAOYSA-N,3,1,0.542,97,521,432.846,4.62,5,0.403,0.76,1.0,0.8710677815091494,0.8861370022616681,0.8964173120416695,0.9035706942635872,0.8892981975190186
EOS-3-18950,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)nc1,MQJMTKJAQVUYOL-UHFFFAOYSA-N,3,1,0.287,30,298,448.465,4.549,6,0.393,0.78,0.226,0.013038859570968404,0.16347405935165513,0.5534147762319238,0.6192087588239326,0.33728411349461995
EOS-3-18951,COc1ccc(-c2cnc(F)nn2)cc1-c1cncc2nnc(-c3ccccc3F)n12,VROJWAPAORETRD-UHFFFAOYSA-N,3,1,0.397,96,46,417.379,3.597,5,0.441,0.76,1.0,0.4479130971146597,0.49929751216503326,0.729730655883764,0.6999520252210266,0.5942233225961209
EOS-3-18952,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)sn1,CCKBRLZSNKFJHT-UHFFFAOYSA-N,3,1,0.615,36,32,424.877,3.276,5,0.427,0.72,1.0,0.7462819546295661,0.7755722705777535,0.14652011513946953,0.2510365979028168,0.4798527345624015
EOS-3-18953,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncc(-c5nnnn5C)cn4)n23)n1,GXDCAEGITPVUKR-UHFFFAOYSA-N,3,1,0.234,86,953,449.442,1.599,6,0.386,0.65,0.376,0.03622952504968816,0.028442190391337125,0.008387019395517784,0.007307586868617641,0.020091580426290178
EOS-3-18954,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1,XOKPVNBOEQZPQD-UHFFFAOYSA-N,3,1,0.319,38,983,446.478,3.589,6,0.395,0.67,1.0,0.10249468850661367,0.04447947364813926,0.1782263038859571,0.18475430059625797,0.12748869165924198
EOS-3-18955,Cc1cnc(-c2nnc3cncc(-c4ccc(C(O)Cn5ccnc5)nc4Cl)n23)cn1,UAHXZTBRZBSTQD-UHFFFAOYSA-N,3,1,0.286,50,828,433.863,2.535,5,0.42,0.66,0.994,0.22573846891919677,0.24766979644986636,0.37315811116441644,0.3237440888218765,0.292577616338839
EOS-3-18957,Fc1cncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccn2)c1,CULHTMRCZKHCGS-UHFFFAOYSA-N,3,1,0.466,55,879,433.834,4.015,5,0.386,0.73,1.0,0.87507710232335,0.9232574874922898,0.7905558220821054,0.8033633746830238,0.8480634466451923
EOS-3-18958,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(C)c2)n1,SAWVOAGDBCBBSY-UHFFFAOYSA-N,3,1,0.443,51,196,445.874,3.283,5,0.401,0.65,1.0,0.5577839078884244,0.6069152217120143,0.17823487081077377,0.1792886025632239,0.38055565074360903
EOS-3-18959,N#Cc1ccc(-c2nnc3cncc(-c4ncc(OCC(F)F)cn4)n23)cc1Cl,AULVJRSIUIHLQN-UHFFFAOYSA-N,3,1,0.375,68,861,413.775,3.417,4,0.494,0.75,0.999,0.6519601123980536,0.8007761633883901,0.9043502844219039,0.9035792611884038,0.8151664553491879
EOS-3-18960,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)nc1,PLUCQAQPNBQWDC-UHFFFAOYSA-N,3,1,0.463,54,873,430.859,3.313,5,0.404,0.63,0.992,0.5860204920841615,0.5680385168939758,0.30606195600027414,0.3818021383044342,0.46048077582071145
EOS-3-18961,Fc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5F)n34)c2)c1,LUHYJWQQIBSXGF-UHFFFAOYSA-N,3,1,0.544,11,201,430.418,4.148,5,0.377,0.76,1.0,0.9051127407305873,0.8280189843053938,0.8014957850729902,0.7990542115002399,0.8334204304023028
EOS-3-18962,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncc(C(F)F)cn4)n23)cc1,CFRUDVZZHKPBHI-UHFFFAOYSA-N,3,1,0.333,50,856,419.399,3.464,5,0.43,0.73,1.0,0.20923857172229457,0.17604173805770681,0.36537077650606536,0.3688746487560825,0.2798814337605373
EOS-3-18963,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cn1,HCFFTSMKYZBDBE-UHFFFAOYSA-N,3,1,0.523,4,31,429.871,4.184,5,0.387,0.75,1.0,0.5245613734493866,0.630362894935234,0.5889503803714619,0.5669076828181756,0.5776955828935646
EOS-3-18964,COc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ccnc(-c4nccn4C)n3)n12,OUSXQKSNPAPVCD-UHFFFAOYSA-N,3,1,0.333,50,243,434.41,3.595,5,0.417,0.69,0.978,0.2959015831677061,0.2679562744157357,0.5732986087314098,0.45750805290932767,0.3986661298060448
EOS-3-18965,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)c(F)c1F,LSSOHZGOLRBKQO-UHFFFAOYSA-N,3,1,0.443,46,540,435.369,3.64,5,0.389,0.7,1.0,0.7097782879857446,0.6742084161469399,0.8916284010691522,0.8677866493043657,0.7858504386265506
EOS-3-18966,Cn1c(C#N)ccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,BNAWFIFIHBSLGI-UHFFFAOYSA-N,3,1,0.315,30,668,442.486,4.521,6,0.4,0.76,1.0,0.06487732163662532,0.12283256802138305,0.7661829209786855,0.740482146528682,0.423593739291344
EOS-3-18967,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)nn4)n23)c(F)c1,MOMRSZUTSWIWCH-UHFFFAOYSA-N,3,1,0.313,99,112,455.421,1.373,6,0.382,0.63,0.995,0.20924713864711122,0.2885083270509218,0.03436193543965458,0.05574497978205743,0.14696559522993624
EOS-3-18968,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cn2)cc1,WMCNACTUHVDQKI-UHFFFAOYSA-N,3,1,0.357,30,93,427.471,4.977,6,0.395,0.87,1.0,0.06669350969775889,0.09713179357137962,0.6018264683709136,0.6367538208484682,0.3506013981221301
EOS-3-18969,COc1cc(-c2nnc(C)s2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,AIMYBBLFSYOURU-UHFFFAOYSA-N,3,1,0.529,20,658,446.496,3.038,5,0.372,0.74,1.0,0.27391885408813654,0.1519601123980536,0.08440134329381126,0.047649235830306357,0.13948238640257693
EOS-3-18970,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)nc1,WZESNUZJMAEAMR-UHFFFAOYSA-N,3,1,0.541,73,420,434.822,3.41,5,0.387,0.68,1.0,0.6341666095538345,0.6353317113289014,0.4569426358714276,0.49411452265094924,0.5551388698512782
EOS-3-18971,Fc1cc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)nn2)ccn1,FCGLEGHYGWNCFQ-UHFFFAOYSA-N,3,1,0.35,10,620,436.414,3.03,6,0.388,0.67,1.0,0.0063652251387841825,0.10359982180796382,0.3060705229250908,0.3657991227468988,0.1954586731546844
EOS-3-18972,FC(F)(F)c1cc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4)n23)ccn1,KLKDONSWYDYYNF-UHFFFAOYSA-N,3,1,0.457,27,69,450.384,3.636,5,0.4,0.69,1.0,0.8140548968542252,0.7755808375025701,0.9253649509971901,0.8120159687478583,0.8317541635254608
EOS-3-18973,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)n1,ZVRGQDQRVCSNNX-UHFFFAOYSA-N,3,1,0.311,38,57,430.475,4.316,6,0.414,0.72,1.0,0.05099890343362347,0.07075423206085943,0.5163542594750189,0.4910304297169488,0.28228445617161263
EOS-3-18974,Cn1nncc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)ccc1F,LSDAKKSAWZYFPK-UHFFFAOYSA-N,3,1,0.535,34,391,454.828,3.492,5,0.401,0.67,1.0,0.5604996230553081,0.82435234048386,0.6550699061065041,0.7112603659790282,0.687795558906175
EOS-3-18975,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cc1,ANCQTOKQPZSIQJ-UHFFFAOYSA-N,3,1,0.342,9,340,439.414,3.443,6,0.411,0.63,1.0,0.2715029812898362,0.27807381262422043,0.45355013364402713,0.4511256939209102,0.3635631553697485
EOS-3-18976,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)cn1,XJCCWPGTZVJHNW-UHFFFAOYSA-N,3,1,0.302,70,392,436.414,3.235,6,0.418,0.65,0.998,0.23385991364539785,0.31916078404495923,0.4462339798505928,0.45113426084572683,0.36259723459666915
EOS-3-18977,COc1ccc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)cc1-c1ccccn1,BKWKEFPDRONLJM-UHFFFAOYSA-N,3,1,0.54,4,61,425.452,3.539,5,0.407,0.73,1.0,0.3387876087999452,0.1930470838187924,0.35800322116373107,0.2364556918648482,0.28157340141182924
EOS-3-18978,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5sccc5Cl)n34)cn2)ncn1,SNANUDKEXBMYOW-UHFFFAOYSA-N,3,1,0.456,7,786,435.9,4.246,5,0.407,0.8,1.0,0.617469673086149,0.6989325611678432,0.4243968884929066,0.4290487286683572,0.542461962853814
EOS-3-18979,Cn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccccn3)n12,HTGCHHYUJVNUKF-UHFFFAOYSA-N,3,1,0.286,86,892,438.48,3.167,6,0.412,0.67,0.967,0.059634363648824615,0.05547083818792406,0.03565554108697142,0.06637653347954219,0.054284319100815576
EOS-3-18980,Cc1cc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cn5)nc4)n23)cnc1-c1cncnn1,WHYGTKGTHZMWLC-UHFFFAOYSA-N,3,1,0.281,86,377,463.44,3.005,6,0.384,0.67,0.868,0.30358611472825714,0.2885168939757385,0.22997909670344732,0.25422349393461724,0.269076399835515
EOS-3-18981,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccn(C)n5)cc4)n23)c(Cl)c1,VSENTLVNQLFTDH-UHFFFAOYSA-N,3,1,0.517,43,637,473.924,3.784,5,0.403,0.74,1.0,0.5217599890343362,0.5355784387636214,0.5985796038653964,0.48200089096018095,0.5344797306558837
EOS-3-18982,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ncn1,YNDDDWGMWWUYBP-UHFFFAOYSA-N,3,1,0.419,31,395,433.863,2.918,5,0.416,0.67,0.51,0.3641114385580152,0.31389212528270855,0.2549174148447673,0.24814954423959976,0.2952676307312727
EOS-3-18983,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cc1,FVLOTBZSMLDFJJ-UHFFFAOYSA-N,3,1,0.341,74,333,411.429,2.008,5,0.481,0.81,1.0,0.14819066547871976,0.051667123569323556,0.12865807689671716,0.07186793228702625,0.10009594955794668
EOS-3-18984,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4nccnc4Cl)n23)c1,QHZGIEODPAUFHB-UHFFFAOYSA-N,3,1,0.374,7,211,433.863,3.092,5,0.402,0.69,0.931,0.2959101500925228,0.28852546090055514,0.18137893221849086,0.18734151189089165,0.23828901377561512
EOS-3-18985,CCc1cc(COc2cncc3nnc(-c4cncc(-c5ccc(F)cn5)c4)n23)ccn1,VFXSBPQDLQKTQB-UHFFFAOYSA-N,3,1,0.446,2,422,427.443,3.924,5,0.406,0.76,1.0,0.6341751764786512,0.6353402782537181,0.5921372764032623,0.5105972859982181,0.5930625042834624
EOS-3-18986,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)cn4)n23)cc1,KNMJNIHGVMOYFB-UHFFFAOYSA-N,3,1,0.5,27,343,432.394,3.555,5,0.401,0.67,1.0,0.7812093071071208,0.6989411280926598,0.6437529984236858,0.579689534644644,0.6758982420670276
EOS-3-18987,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c1,FUZFSXQLEIFJAS-UHFFFAOYSA-N,3,1,0.417,18,211,434.41,2.882,5,0.405,0.63,0.997,0.5605081899801247,0.3283787951476938,0.5985881707902131,0.5505534233431567,0.5095071448152971
EOS-3-18988,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(Cl)nn4)n23)nn1,UUOQANSFUIHPIK-UHFFFAOYSA-N,3,1,0.321,22,542,455.791,3.773,5,0.404,0.67,0.886,0.3140891645534919,0.4546209992461106,0.7994482900418066,0.7663028579261189,0.5836153279418821
EOS-3-18989,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)s2)no1,PVBOGQXHCGRFGF-UHFFFAOYSA-N,3,1,0.31,86,812,441.48,3.674,6,0.407,0.69,0.999,0.06880954012747584,0.12974607634843396,0.06270132273319169,0.05715852237680762,0.07960386539647728
EOS-3-18990,Cn1cncc1-c1cccc(-c2nnc3cncc(NCc4ccc(F)c(F)c4)n23)c1,GWJFSDIFMXGNPK-UHFFFAOYSA-N,3,1,0.478,96,358,417.423,4.082,5,0.467,0.78,1.0,0.047863408950723045,0.028450757316153794,0.8529658693715304,0.8055136728120074,0.43369842711260365
EOS-3-18991,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)c(F)c1,VXWQODYEOJWTQP-UHFFFAOYSA-N,3,1,0.289,64,449,465.427,4.046,6,0.384,0.73,0.976,0.2552515249126174,0.36704989377013225,0.6523456240148037,0.7053406209307107,0.494996915907066
EOS-3-18992,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)c(F)c1,BTBTVZUGCOUVQP-UHFFFAOYSA-N,3,1,0.293,64,449,465.427,4.046,6,0.384,0.73,1.0,0.31666780892330887,0.409738880131588,0.5163628263998356,0.5920601740799123,0.45870742238366113
EOS-3-18993,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5cnccc5-c5cccc(F)c5)n34)n2)nc1,KWDQSTMBLNUHME-UHFFFAOYSA-N,3,1,0.333,42,136,465.427,4.046,6,0.384,0.73,0.992,0.28764306764443837,0.41452779110410526,0.5534233431567405,0.6481735316290864,0.4759419333835926
EOS-3-18994,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4Cl)n23)cn1,PJVOACPQWFZFEC-UHFFFAOYSA-N,3,1,0.303,42,314,455.869,3.957,6,0.392,0.74,0.996,0.20361866904256049,0.26278185182646835,0.42440545541772323,0.4880234391062984,0.3447073538482626
EOS-3-18995,Cn1cc(-c2ncnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nn1,WECLWXROCHTVPG-UHFFFAOYSA-N,3,1,0.536,36,839,420.824,2.004,5,0.42,0.7,0.997,0.5015163456925502,0.7037557398396271,0.06461174696730862,0.11564491810019875,0.3463821876499212
EOS-3-18996,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)ccn1,WYUXDFROANYNOD-UHFFFAOYSA-N,3,1,0.297,30,195,430.475,4.409,6,0.412,0.73,0.996,0.01380131587965184,0.031252141731204164,0.5364522650949215,0.5106058529230347,0.27302789390720306
EOS-3-18997,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(Cl)cn2)no1,CGWKVRLEZLDDJO-UHFFFAOYSA-N,3,1,0.516,89,731,462.857,2.876,5,0.402,0.67,1.0,0.5975772736618463,0.47196045507504625,0.229987663628264,0.19016003015557537,0.37242135563018297
EOS-3-18998,Cc1nn(C)c(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)c1F,FOFDNEFEBIRSMF-UHFFFAOYSA-N,3,1,0.608,16,772,433.422,3.752,5,0.42,0.68,1.0,0.6519686793228703,0.597534439037763,0.6437615653485025,0.6133918168734152,0.6266641251456377
EOS-3-18999,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)ccn1,ODADABMWXPUBJJ-UHFFFAOYSA-N,3,1,0.446,89,398,478.516,3.423,6,0.378,0.84,1.0,0.41786032485778907,0.13671955314920156,0.18794976355287507,0.15231135631553697,0.22371024946885065
EOS-3-19000,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nc(C)ncc5C)c4)n23)cn1,WYJGDNAEWWYUFZ-UHFFFAOYSA-N,3,1,0.5,89,205,423.48,4.148,5,0.419,0.79,1.0,0.4643358919882119,0.2939997258584059,0.4027054348571037,0.27185422520731956,0.3582238194777603
EOS-3-19001,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccc4F)n23)nc1,AUJFUGTVJOZWEY-UHFFFAOYSA-N,3,1,0.418,46,915,435.369,3.64,5,0.416,0.64,1.0,0.8370228222877116,0.779735796038654,0.8544051127407306,0.8476458090603797,0.829702385031869
EOS-3-19002,Cn1cc(-c2nc(CCOc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccc2F)cn1,VOJPBEXWOGYRBX-UHFFFAOYSA-N,3,1,0.618,15,563,458.457,2.446,5,0.397,0.67,1.0,0.4742649578507299,0.19763895552052635,0.3173017613597423,0.21622061544787882,0.30135657254471937
EOS-3-19003,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nc2)n1C,MPADKPFRLXFVTM-UHFFFAOYSA-N,3,1,0.477,27,69,453.388,3.496,5,0.407,0.7,1.0,0.5065536974847509,0.6255825508875335,0.6437701322733191,0.4447947364813926,0.555175279281749
EOS-3-19004,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c(F)c1,JSITYGPDTUAXDL-UHFFFAOYSA-N,3,1,0.654,91,660,432.434,4.092,5,0.404,0.74,1.0,0.8009475018847234,0.8127013227331917,0.8384277979576451,0.8165050373517923,0.8171454149818381
EOS-3-19005,Cc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5nnc(C)s5)c4)n23)n(C)n1,JUKDZIGTCSBILX-UHFFFAOYSA-N,3,1,0.518,36,662,436.476,3.378,5,0.417,0.68,1.0,0.37812692755808375,0.40974744705640465,0.14989548351723667,0.12253272565279967,0.2650756459461312
EOS-3-19006,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)n1,PZMNXTLQFKPDMN-UHFFFAOYSA-N,3,1,0.292,10,195,431.463,3.804,6,0.418,0.66,0.977,0.008566924816667808,0.021408745116852854,0.33547220889589474,0.3333990130902611,0.17471172297991913
EOS-3-19007,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)ns1,IYGKRUCAMQLJQG-UHFFFAOYSA-N,3,1,0.692,91,660,432.484,4.379,5,0.396,0.78,1.0,0.6856452607771915,0.6989496950174765,0.4462425467754095,0.4605750119936947,0.5728531286409431
EOS-3-19008,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)cnn2)c1,CWIBDSUYXJZELY-UHFFFAOYSA-N,3,1,0.631,84,73,431.406,3.543,5,0.406,0.68,1.0,0.8140634637790419,0.7409790281680488,0.7398995956411486,0.7586011925159345,0.7633858200260435
EOS-3-19009,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)ccn2)nn1,VHUXFIILSWCRGS-UHFFFAOYSA-N,3,1,0.529,89,250,421.424,2.797,5,0.421,0.69,1.0,0.7432578301692825,0.6694366390240559,0.3580117880885477,0.3270509218011103,0.5244392947707491
EOS-3-19010,c1cc(-c2cnccn2)nc(-c2cncc3nnc(-c4ncncc4-c4ccsc4)n23)c1,IXZOVUUGVPVUTQ-UHFFFAOYSA-N,3,1,0.25,86,790,435.476,3.829,6,0.411,0.7,0.403,0.06670207662257556,0.0634209444177918,0.22265437598519636,0.2690271400178192,0.15545113426084572
EOS-3-19011,Cc1ccnc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)n1,LMQFFHZCRYVWLR-UHFFFAOYSA-N,3,1,0.438,2,131,430.859,3.579,5,0.39,0.69,1.0,0.657879857446371,0.6353488451785347,0.4462511137002262,0.42273490507847306,0.5405536803509013
EOS-3-19012,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cc(Cl)ncn5)c4)n23)cc1,WEFMMNBLYHBLKO-UHFFFAOYSA-N,3,1,0.506,89,97,430.859,3.579,5,0.39,0.69,1.0,0.8938043999725859,0.7713744774175861,0.4983722842848331,0.4880320060311151,0.6628957919265301
EOS-3-19013,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)n2)nn1,LAFPUSXICGNBJS-UHFFFAOYSA-N,3,1,0.282,99,952,459.886,3.001,6,0.391,0.67,0.391,0.013047426495785074,0.12645637721883352,0.04273182098553903,0.11565348502501542,0.07447227743129327
EOS-3-19014,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)c1,VAXBYWFMYZQPOS-UHFFFAOYSA-N,3,1,0.426,36,931,433.863,3.092,5,0.376,0.72,1.0,0.3894781029401686,0.4191453635802892,0.09368788979507915,0.12487149612774999,0.2567957131108217
EOS-3-19015,COc1cc(-c2nnc3cncc(COc4ccncc4)n23)c(F)cc1-c1cnc(C)nc1,SOPZCSCPRABSAL-UHFFFAOYSA-N,3,1,0.363,2,767,443.442,3.678,5,0.392,0.68,1.0,0.5691436501953259,0.5680470838187924,0.6496641765471867,0.4820094578849976,0.5672160921115756
EOS-3-19016,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)cc3Cl)n12,VZAUXDKUPLLCJL-UHFFFAOYSA-N,3,1,0.573,35,325,437.822,3.65,5,0.396,0.71,1.0,0.8062247275717909,0.7797443629634706,0.6374905763827017,0.6771383044342403,0.7251494928380509
EOS-3-19017,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)c(C)n1,XKTRNQPFAIHANQ-UHFFFAOYSA-N,3,1,0.506,1,92,426.455,4.583,5,0.409,0.77,1.0,0.9115036666438215,0.7499143307518333,0.6961740113768762,0.6101535192927147,0.7419363820163114
EOS-3-19018,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)n1,XXALDOZPHQIEPK-UHFFFAOYSA-N,3,1,0.495,37,482,463.864,3.156,5,0.374,0.68,1.0,0.8750856692481667,0.9138852717428552,0.2729593585086697,0.33019498320882734,0.5980313206771297
EOS-3-19019,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1Cl,QDAAVYZWPXZXCT-UHFFFAOYSA-N,3,1,0.705,91,876,448.889,4.606,5,0.379,0.77,1.0,0.9019858131725036,0.909893084778288,0.8032434377355905,0.8182612569392091,0.8583458981563978
EOS-3-19020,COc1cc(C)cc(OCc2cncc3nnc(-c4cccc(-c5cnc(C)cn5)c4)n23)c1,FQUDUVPMFIABMW-UHFFFAOYSA-N,3,1,0.375,14,18,438.491,4.453,5,0.387,0.81,1.0,0.2739274210129532,0.13307861010211774,0.6109159756013981,0.4227434720032897,0.3601663696799397
EOS-3-19021,c1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n[nH]2)nc1,ATTSTVZUOUDHGM-UHFFFAOYSA-N,3,1,0.299,70,957,418.424,3.095,6,0.463,0.72,0.723,0.04503632376122267,0.110093550818998,0.1685628126927558,0.2189191967651292,0.13565297100952642
EOS-3-19022,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,ITHDWFWPYZARFF-UHFFFAOYSA-N,3,1,0.266,30,748,418.424,2.891,6,0.429,0.71,0.892,0.005011651017750668,0.004206360084983894,0.07309300253580975,0.1447724624768693,0.05677086902885341
EOS-3-19023,Clc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)nc2)n1,YXBBJMSKPPKSJT-UHFFFAOYSA-N,3,1,0.27,70,977,464.88,3.816,6,0.358,0.75,1.0,0.22013570008909603,0.3038259886231238,0.31731032828455896,0.34954766636967993,0.2977049208416147
EOS-3-19024,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cc2)cn1,OQYMQLZJEDIEDK-UHFFFAOYSA-N,3,1,0.298,38,620,432.451,3.199,6,0.417,0.63,1.0,0.003812281543417175,0.016088684805702146,0.26560893701596877,0.2600918374340347,0.13640043519978068
EOS-3-19025,c1cnc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cncnn6)cc5)n34)n2)nc1,GZSKOCPJAZKZNH-UHFFFAOYSA-N,3,1,0.297,38,608,431.423,2.557,6,0.41,0.63,1.0,0.1345007196216846,0.10023302035501336,0.13451785347131792,0.15231992324035365,0.13039287917209239
EOS-3-19026,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,BFPHOBXSMMNDMP-UHFFFAOYSA-N,3,1,0.421,41,318,446.474,4.441,6,0.386,0.77,1.0,0.49900623672126654,0.30383455554794053,0.46759989034336236,0.3972483037488863,0.4169222465903639
EOS-3-19027,Cc1ccc(-c2nnc3cncc(OCc4c(F)cc(-c5ncc(F)cn5)nc4C)n23)cn1,HOBDLAQURKKPLB-UHFFFAOYSA-N,3,1,0.472,73,930,446.421,3.512,5,0.404,0.67,1.0,0.795207662257556,0.7269635391679803,0.42441402234253994,0.3721814817353163,0.5796916763758482
EOS-3-19028,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(CF)nn4)n23)c(F)c1,DMEXZYDIIILLCN-UHFFFAOYSA-N,3,1,0.489,36,610,435.398,2.564,5,0.4,0.64,1.0,0.5321002672880543,0.5400418065931053,0.2656175039407854,0.2542320608594339,0.39799790967034476
EOS-3-19029,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1,MDPXFFUCWAUKAT-UHFFFAOYSA-N,3,1,0.461,73,401,434.822,3.41,5,0.414,0.69,1.0,0.6796398464807073,0.7409875950928655,0.5364608320197382,0.6101620862175313,0.6418125899527106
EOS-3-19030,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1)N1CC(F)C(F)(F)C1,HTIXIMAOCALEMI-UHFFFAOYSA-N,3,1,0.4,0,901,457.843,4.541,5,0.453,0.7,1.0,0.44100815571242546,0.5038551161675006,0.8939757384689192,0.935088410664108,0.6934818552532382
EOS-3-19031,Fc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)ccn1,HYVFNHWGGLDLFZ-UHFFFAOYSA-N,3,1,0.316,8,927,437.402,2.425,6,0.382,0.65,1.0,0.02752552943595367,0.15196867932287025,0.15281680487972038,0.2044410938249606,0.13418802686587622
EOS-3-19032,CCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)s1,FJFUCDSQWJWGSK-UHFFFAOYSA-N,3,1,0.518,65,981,430.497,3.284,5,0.387,0.75,1.0,0.4410167226372421,0.4412051949832088,0.038414090877938456,0.039904735796038655,0.240135186073607
EOS-3-19033,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5cnc(-c6cncnn6)nc5)n34)nn2)o1,PYOXJYKZLBRIGB-UHFFFAOYSA-N,3,1,0.267,99,286,451.414,1.173,6,0.366,0.64,1.0,0.10250325543143034,0.05547940511274073,0.008858200260434514,0.006819272154067576,0.04341503323966829
EOS-3-19034,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1,CKIKLRDNZGSHCA-UHFFFAOYSA-N,3,1,0.297,64,365,430.435,3.162,6,0.415,0.63,1.0,0.102511822356247,0.03729182372695497,0.18795833047769173,0.25104516482763345,0.1447017853471318
EOS-3-19035,c1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnccn6)nn5)n34)cn2)ccn1,PNIHOTRMWCJXHY-UHFFFAOYSA-N,3,1,0.333,86,790,419.412,2.286,6,0.423,0.71,1.0,0.0008309917072167774,0.011248372284284833,0.15282537180453704,0.18476286752107463,0.08741690082927832
EOS-3-19036,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccncn5)c4)n23)nc1,QDRXQICHRKZIOZ-UHFFFAOYSA-N,3,1,0.28,86,114,419.412,2.286,6,0.423,0.71,0.743,0.00030840929340004113,0.0028099513398670414,0.08169419505174423,0.1042423411692139,0.047263724213556305
EOS-3-19037,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ncccc5F)nn4)n23)cn1,WGZRULWBLHMAHE-UHFFFAOYSA-N,3,1,0.306,99,312,440.406,1.764,6,0.402,0.63,0.999,0.014503803714618601,0.14797649235830307,0.05505105887190734,0.08118874648756083,0.07468002535809745
EOS-3-19038,Cn1nnnc1-c1ccccc1COc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,LMCIJEDJDJDJMH-UHFFFAOYSA-N,3,1,0.536,40,755,462.477,3.018,6,0.367,0.72,1.0,0.5190442738674526,0.2730792954561031,0.17179254334863958,0.17371153450757315,0.2844069117949421
EOS-3-19039,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)nc1,ZZNOBTDXYODDKH-UHFFFAOYSA-N,3,1,0.275,30,880,432.451,3.106,6,0.418,0.64,0.972,0.056156192173257485,0.014675142210951956,0.17824343773559043,0.21892776368994585,0.11700063395243643
EOS-3-19040,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,SHQXPAYBANHEGX-UHFFFAOYSA-N,3,1,0.307,30,880,432.451,3.106,6,0.418,0.64,0.997,0.03107223631005414,0.023678980193269823,0.03977623192378864,0.08814508943869509,0.045668134466451925
EOS-3-19041,Cn1ccc(-c2cncc(-c3cncc4nnc(-c5cncnc5-c5cccnc5)n34)c2)n1,UDXLAXLSQOECQU-UHFFFAOYSA-N,3,1,0.265,94,967,432.451,3.106,6,0.418,0.64,1.0,0.04951682544033994,0.03730039065177164,0.295156260708656,0.289844767322322,0.1679545610307724
EOS-3-19042,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5cccc(F)c5)n34)cc2)nn1,YWWQFTJPNWAJRC-UHFFFAOYSA-N,3,1,0.383,9,764,448.465,4.455,6,0.396,0.73,1.0,0.10988794462339799,0.25251867589610033,0.6374991433075183,0.6740627784250566,0.41849213556301834
EOS-3-19044,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cc4F)n23)n1,ZVYKZYVQSMPQNK-UHFFFAOYSA-N,3,1,0.53,37,563,449.877,4.001,5,0.389,0.75,1.0,0.5552823658419573,0.6791772325406072,0.5889589472962785,0.6594990062367213,0.6207293879788911
EOS-3-19046,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,XMWSERHECVVLAE-UHFFFAOYSA-N,3,1,0.325,30,668,433.45,4.845,6,0.398,0.8,1.0,0.018007675964635733,0.21675176478651223,0.7498457953533,0.7990627784250566,0.44591700363237613
EOS-3-19047,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(CO)cn5)c4)n23)cn1,JEJXSLIUYCXUCI-UHFFFAOYSA-N,3,1,0.469,89,205,454.45,1.814,5,0.375,0.76,1.0,0.49154444520594887,0.2167603317113289,0.2370125419779316,0.14970701117126997,0.2737560825166198
EOS-3-19048,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccnnc6)n5)n34)cc2)n1C,URCZRLMSMFDEOG-UHFFFAOYSA-N,3,1,0.312,38,193,445.49,4.019,6,0.404,0.69,1.0,0.1481992324035364,0.0554879720375574,0.39158556644506887,0.3429511342608457,0.23455597628675212
EOS-3-19049,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cc(F)c(Cl)cn5)[nH]4)n23)cc1,XPHODEQJTQAETL-UHFFFAOYSA-N,3,1,0.374,74,333,449.837,2.791,5,0.432,0.7,0.996,0.29047015283393873,0.3577033787951477,0.3954663833870194,0.40995305325200465,0.3633982420670276
EOS-3-19050,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)O)cc4)n23)c(F)n1,PECDLNQSNGETTE-UHFFFAOYSA-N,3,1,0.388,61,844,416.376,2.486,5,0.443,0.73,1.0,0.21201425536289495,0.07434377355904324,0.2620365293674183,0.19557432663970942,0.18599222123226647
EOS-3-19052,Cc1nc(F)cnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,VGWJVQPZHDWKNZ-UHFFFAOYSA-N,3,1,0.571,16,232,447.861,4.323,5,0.396,0.73,1.0,0.9406997464190254,0.9457113974367761,0.6824926324446576,0.694503461037626,0.8158518093345213
EOS-3-19053,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6)nn5)n34)cc2)nc1,DCXYEFODMKGHPK-UHFFFAOYSA-N,3,1,0.337,3,115,453.416,3.774,6,0.401,0.66,1.0,0.06488588856144198,0.1930556507436091,0.6018350352957302,0.659507573161538,0.3798210369405798
EOS-3-19054,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)nc4)n23)cc1F,XWHMCCKSWCPYLR-UHFFFAOYSA-N,3,1,0.304,82,736,471.431,3.034,6,0.388,0.69,0.999,0.27393598793776985,0.2679648413405524,0.30245528065245697,0.3882273319169351,0.3081458604619286
EOS-3-19055,Cc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ncn4)n23)ccn1,FCSIOQZXKVPKPB-UHFFFAOYSA-N,3,1,0.517,44,130,427.443,3.712,5,0.408,0.74,1.0,0.7952162291823727,0.7037643067644438,0.5597457336714413,0.527259954766637,0.6464965560962237
EOS-3-19056,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccncc5F)n4)n23)cn1,AQIJLZNQYLAAJQ-UHFFFAOYSA-N,3,1,0.283,99,286,440.406,1.764,6,0.402,0.64,0.999,0.04352854499348914,0.1714670002056062,0.06873243780412583,0.09800561990267974,0.09543340072647524
EOS-3-19057,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(F)c4F)n23)cc1F,JFBKGBLCVIKSAL-UHFFFAOYSA-N,3,1,0.364,0,188,409.371,3.768,5,0.557,0.84,1.0,0.37571105475978345,0.46771126036597904,0.7799756699335206,0.8677952162291823,0.6227983003221164
EOS-3-19058,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)n1,BPUNRWDXPCSZHH-UHFFFAOYSA-N,3,1,0.329,38,193,449.453,3.85,6,0.377,0.72,1.0,0.18693886642450827,0.2425810431087657,0.4535587005688438,0.4910389966417655,0.3435294016859708
EOS-3-19059,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)nc5)n34)nc2)cn1,QLDJJKVJAURJJM-UHFFFAOYSA-N,3,1,0.287,42,714,449.453,3.85,6,0.377,0.72,1.0,0.15383626893290384,0.23711534507573162,0.5498766362826399,0.5309522993626208,0.367945137413474
EOS-3-19060,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3c(-c4ccccc4)cnn3C)n12,FELLUJARFFDVKQ-UHFFFAOYSA-N,3,1,0.272,8,934,448.494,3.532,6,0.397,0.69,0.981,0.009277979576451238,0.013355835789185115,0.03437050236447125,0.07383832499485984,0.03271066068124186
EOS-3-19061,Cn1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)n2)nc1F,OJKKTXAQIDUYDY-UHFFFAOYSA-N,3,1,0.288,76,541,450.441,3.245,6,0.402,0.64,0.631,0.09045815913919539,0.18429168665615792,0.10906551984099788,0.16559008978137207,0.1373513638544308
EOS-3-19062,CCc1n[nH]c(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC)c(F)c5)n34)c(F)c2)n1,LUNFYZFUHTVUHD-UHFFFAOYSA-N,3,1,0.321,61,648,460.448,3.444,5,0.415,0.7,1.0,0.3364916729490782,0.2885340278253718,0.46043794119662806,0.42275203892810637,0.37705392022479606
EOS-3-19063,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncnn5)n34)c(Cl)c2)cc1=O,SSBOZKBQQPBQHQ-UHFFFAOYSA-N,3,1,0.474,37,563,461.873,2.012,5,0.373,0.74,1.0,0.42733534370502363,0.4677198272907957,0.19482043725584264,0.23954835172366526,0.3323559899938318
EOS-3-19064,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cn1,IWUIFYGHZIDNCB-UHFFFAOYSA-N,3,1,0.305,42,174,420.436,3.909,6,0.426,0.74,1.0,0.20093722157494345,0.06342951134260846,0.409584675484888,0.38823589884175175,0.2655468268110479
EOS-3-19065,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)F)nc5)n34)ccn2)nn1,QYOFTHJLKSYDAW-UHFFFAOYSA-N,3,1,0.565,27,241,446.421,3.863,5,0.387,0.7,0.922,0.6062641354259475,0.48513638544308135,0.6687855527379891,0.5272685216914537,0.5718636488246179
EOS-3-19066,N#Cc1cc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)cn4)n23)ccc1F,PURYSRSIGUCESP-UHFFFAOYSA-N,3,1,0.31,96,680,427.83,4.579,5,0.391,0.8,1.0,0.354961962853814,0.5038636830923172,0.9368788979507916,0.9514512370639435,0.6867889452402166
EOS-3-19067,FCCn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)nc1,NKHOJTCQDJZLIY-UHFFFAOYSA-N,3,1,0.241,70,312,453.445,2.662,6,0.378,0.68,1.0,0.018864368446302515,0.021417312041669523,0.11149852648893153,0.1378246864505517,0.07240122335686383
EOS-3-19068,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cccc(C#N)c5)n(C)n4)n23)n1,RPJWIAJXZBIJNU-UHFFFAOYSA-N,3,1,0.402,95,694,423.44,2.741,5,0.423,0.71,1.0,0.287651634569255,0.16734630936878897,0.2843790692892879,0.23955691864848194,0.24473348296895345
EOS-3-19069,Fc1cc(F)cc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)c1,BVNXOGAYTAVRAX-UHFFFAOYSA-N,3,1,0.5,46,160,451.824,4.154,5,0.396,0.7,1.0,0.4890771708587485,0.6117726680830649,0.8206257281886095,0.8562641354259475,0.6944349256390925
EOS-3-19070,Cn1cnnc1-c1ccc(CCc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cn1,IJRGWMWXDIISRY-UHFFFAOYSA-N,3,1,0.443,85,580,451.416,3.181,5,0.405,0.68,1.0,0.33412720169967786,0.4097560139812213,0.6609896511548214,0.5106144198478514,0.47887182167089304
EOS-3-19071,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cccc(F)c4)n23)cc1F,SKKYVYFRBYPKLM-UHFFFAOYSA-N,3,1,0.378,3,314,468.431,3.384,6,0.387,0.7,1.0,0.18994585703515865,0.3526488931533137,0.44625968062504284,0.5407785621273388,0.38240824823521347
EOS-3-19072,COc1cccc(F)c1-c1cnc(COc2cncc3nnc(-c4ccc(C)cc4)n23)cn1,YKRMIOPZKMEWSB-UHFFFAOYSA-N,3,1,0.495,1,230,442.454,4.283,5,0.388,0.73,1.0,0.7952247961071893,0.8086663011445412,0.685216914536358,0.5764169693646769,0.7163812452881914
EOS-3-19073,Fc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,IAZYODXSBFCTMZ-UHFFFAOYSA-N,3,1,0.301,30,498,436.41,4.104,6,0.406,0.69,0.974,0.24764409567541634,0.29400829278322255,0.5054485641834007,0.6007984373929134,0.4119748475087382
EOS-3-19074,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)cc1,PJJPBPSSBISRSP-UHFFFAOYSA-N,3,1,0.329,64,449,436.41,4.104,6,0.406,0.69,0.999,0.3166763758481256,0.3717531354944829,0.467608457268179,0.5373603591254883,0.42334958193406896
EOS-3-19075,Fc1cc(-c2nnc3cncc(OCc4nc(-c5ccccn5)no4)n23)ccc1Cl,WNSBOXFXERIBIK-UHFFFAOYSA-N,3,1,0.566,4,401,423.795,3.608,5,0.422,0.75,1.0,0.7639983551504352,0.8419916386813789,0.42783222534439036,0.5309608662874374,0.6411957713659104
EOS-3-19076,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)ns4)n23)cc1,KIWRCHXJAGKRIT-UHFFFAOYSA-N,3,1,0.415,9,553,437.492,3.772,6,0.414,0.7,1.0,0.07659687478582689,0.06707045438969228,0.10622986772668083,0.14478102940168597,0.09866955657597148
EOS-3-19077,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)nc2)nc1,HNBIHUCIZVEXPN-UHFFFAOYSA-N,3,1,0.341,70,687,419.408,3.36,6,0.423,0.74,1.0,0.15913062846960455,0.09714036049619629,0.24077342197244878,0.26310739496950175,0.19003795147693783
EOS-3-19078,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)nn2)cn1,VUEKQBZOILXYQI-UHFFFAOYSA-N,3,1,0.267,42,327,419.408,3.36,6,0.423,0.74,0.999,0.13198204372558425,0.06707902131450895,0.3060790898499075,0.3367315468439449,0.2104679254334864
EOS-3-19079,Cc1cc(-c2nnc3cncc(OCc4cncc(OCC(F)(F)F)c4)n23)ccc1Cl,DVNYIYLIVYSECE-UHFFFAOYSA-N,3,1,0.512,68,12,449.82,4.668,4,0.426,0.74,1.0,0.9527105750119937,0.9501576314166267,0.9857275032554315,0.9627510108971283,0.9628366801452951
EOS-3-19080,N#Cc1cc(F)c(COc2cncc3nnc(-c4cccc(-c5cnc(CO)cn5)c4)n23)cn1,QOXLPCQKHRLXLN-UHFFFAOYSA-N,3,1,0.438,16,55,454.425,2.725,5,0.411,0.69,1.0,0.7252672880542801,0.655044205332054,0.7013313001165101,0.6192173257487492,0.6752150298128984
EOS-3-19081,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)ncn5)n34)cc2)n1C,NWYBVUWDCNYRIH-UHFFFAOYSA-N,3,1,0.304,94,566,446.478,3.414,6,0.405,0.65,1.0,0.10989651154821466,0.051675690494140225,0.32088273593310945,0.26010040435885134,0.1856388355835789
EOS-3-19082,Cc1cc(-c2cnn(C)n2)cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)n1,JPMYTVOUFMPQQI-UHFFFAOYSA-N,3,1,0.278,70,723,446.478,3.414,6,0.405,0.65,0.999,0.07886710986224385,0.04448804057295593,0.2729679254334864,0.23646425878966487,0.15819683366458775
EOS-3-19083,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)s2)n1C,HDBMNVSEXVZMGP-UHFFFAOYSA-N,3,1,0.299,86,794,452.507,3.476,6,0.4,0.68,1.0,0.059642930573641284,0.07435234048385991,0.03978479884860531,0.046329929408539514,0.05502749982866151
EOS-3-19084,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)nn1,RHFPQKUEWTWVES-UHFFFAOYSA-N,3,1,0.316,70,957,448.425,3.301,6,0.4,0.63,0.999,0.23113563155369748,0.2832825029127544,0.3770217942567336,0.4131913508327051,0.32615781988897263
EOS-3-19085,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)nn1,PVCQZVHWQQBZKL-UHFFFAOYSA-N,3,1,0.329,98,507,451.429,2.64,6,0.398,0.64,0.668,0.20362723596737714,0.2940168597080392,0.1557638270166541,0.23647282571448153,0.22247018710163796
EOS-3-19086,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)cn4)n23)nc1,WRBDXJFLOJNLHU-UHFFFAOYSA-N,3,1,0.25,70,813,435.455,2.444,6,0.414,0.62,1.0,0.013055993420601741,0.019267013912685902,0.15902782537180454,0.13542594750188472,0.08169419505174422
EOS-3-19087,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)cc2)n1,RCJYYNWMDJVGPA-UHFFFAOYSA-N,3,1,0.548,15,300,441.47,4.021,5,0.393,0.71,1.0,0.9346600644232747,0.8753598108423001,0.5054571311082174,0.3942584469878692,0.6774338633404153
EOS-3-19088,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cn(CCO)nn5)cn4)n23)cc1F,OPCJZSPPUJCFMH-UHFFFAOYSA-N,3,1,0.305,74,918,460.433,0.998,5,0.378,0.69,1.0,0.1566462202727709,0.1634826262764718,0.0817027619765609,0.0682355561647591,0.11751679117264066
EOS-3-19089,OCc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4F)n23)nn1,AOIJTSNPGCZVQM-UHFFFAOYSA-N,3,1,0.477,4,534,430.403,2.249,5,0.432,0.68,1.0,0.6974419162497429,0.6791857994654239,0.4168065931053389,0.3787523130697005,0.5430466554725515
EOS-3-19090,Cn1ncnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,JTGUCUKVZHGIMB-UHFFFAOYSA-N,3,1,0.549,36,212,419.836,2.609,5,0.427,0.71,1.0,0.5890360496196285,0.7269721060927969,0.1590363922966212,0.23362003975053114,0.4271661469398944
EOS-3-19091,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(C(F)F)cn4)n23)cc1,HSVXOZADKRZQON-UHFFFAOYSA-N,3,1,0.354,63,437,407.384,3.078,5,0.546,0.91,1.0,0.15665478719758755,0.11938866424508258,0.3617298334589816,0.41951374134740593,0.2643217565622644
EOS-3-19092,Cc1nccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)o2)n1,CLDHDIUGHGZFEP-UHFFFAOYSA-N,3,1,0.506,4,10,437.822,3.916,5,0.407,0.7,1.0,0.8343585086697279,0.8915769995202522,0.5163713933246522,0.5272770886162703,0.6923959975327256
EOS-3-19093,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c(F)c1,FDVBQMARZYOUIJ-UHFFFAOYSA-N,3,1,0.53,16,772,420.383,2.839,5,0.404,0.74,1.0,0.6705674730998561,0.6303714618600507,0.6018436022205469,0.5702145157974093,0.6182492632444657
EOS-3-19094,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)c(F)n1,CVBDOGHKZXOVSF-UHFFFAOYSA-N,3,1,0.424,51,969,432.394,3.204,5,0.39,0.72,1.0,0.6825183332191077,0.7455794667945994,0.5196011239805359,0.46695737098211226,0.6036640737440888
EOS-3-19095,N#Cc1ccc(-c2nnc3cncc(-c4ncnc(-c5cc(F)nc(Cl)c5)n4)n23)c(F)c1,NGTLPFFMLZDGSW-UHFFFAOYSA-N,3,1,0.395,29,704,447.796,3.509,5,0.385,0.67,0.997,0.4337948050167912,0.6167157837022822,0.7636128435336852,0.830280652456994,0.6611010211774381
EOS-3-19096,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cn2)c1,LQFUILUGCBHRAC-UHFFFAOYSA-N,3,1,0.337,3,118,452.428,4.379,6,0.395,0.72,0.896,0.019883832499485984,0.22209752587211296,0.6961825783016928,0.7829483928449044,0.430278082379549
EOS-3-19097,Cn1c(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCc4cnccc4F)n23)cc1=O,IJWXMGVXCGCRSK-UHFFFAOYSA-N,3,1,0.511,59,146,464.407,3.548,5,0.396,0.72,1.0,0.7462905215543828,0.6255911178123501,0.897745185388253,0.8934274552806525,0.7907635700089095
EOS-3-19098,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)n5)cc4F)n23)nn1,DMRSBSDXCXCHHH-UHFFFAOYSA-N,3,1,0.327,96,140,460.86,3.997,5,0.403,0.69,0.997,0.09744020286477965,0.1802480981426907,0.484862243848948,0.4759183743403468,0.30961722979919126
EOS-3-19099,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)nc1,MVQLFSZHCDNNGS-UHFFFAOYSA-N,3,1,0.311,10,871,439.418,2.369,6,0.411,0.6,0.4,0.013809882804468508,0.13672812007401822,0.13155369748475088,0.18212425467754095,0.11605398876019464
EOS-3-19100,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cn1,NIKJKHLIFUGHBG-UHFFFAOYSA-N,3,1,0.282,38,522,435.451,3.787,6,0.402,0.68,1.0,0.13450928654650127,0.07436090740867658,0.1685713796175725,0.1873500788157083,0.14119791309711466
EOS-3-19101,CCc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(C)c(F)nn5)n34)cc2F)nc1,KFYXAYSGVBXJCO-UHFFFAOYSA-N,3,1,0.329,96,140,429.434,4.459,5,0.42,0.77,0.995,0.36652731135631555,0.4235487629360565,0.7115345075731615,0.6740713453498732,0.5439204818038517
EOS-3-19102,Fc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)c2)cn1,CTFPQQOXWQBJJG-UHFFFAOYSA-N,3,1,0.325,42,957,447.437,3.906,6,0.4,0.67,1.0,0.20363580289219382,0.28329106983757113,0.6109245425262148,0.6134003837982318,0.4278129497635529
EOS-3-19103,Fc1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,PSVAHRIHEPURNG-UHFFFAOYSA-N,3,1,0.395,3,50,447.437,3.906,6,0.4,0.67,1.0,0.2904787197587554,0.43712733877047494,0.5430487972037558,0.6192258926735659,0.472470187101638
EOS-3-19104,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ncccn6)n5)n34)cc2)nc1,QNTSISZTIZKVNQ-UHFFFAOYSA-N,3,1,0.338,38,608,447.437,3.906,6,0.4,0.67,1.0,0.3596480707285313,0.42355732986087313,0.40271400178192035,0.4448033034062093,0.40768067644438355
EOS-3-19105,CCc1cc(COc2cncc3nnc(-c4cc(C)ncc4-c4cccnc4)n23)nn1C,OORBIUARGZHDQC-UHFFFAOYSA-N,3,1,0.449,92,205,426.484,3.432,5,0.41,0.72,1.0,0.2092557055719279,0.18869508601192517,0.16857994654238914,0.11085600712768144,0.1693466863134809
EOS-3-19106,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)nn2)n1,APHSSYOADXIYJN-UHFFFAOYSA-N,3,1,0.362,98,63,433.439,2.501,6,0.412,0.64,0.863,0.07887567678706052,0.05936878897950792,0.08171132890137756,0.09801418682749641,0.0794924953738606
EOS-3-19107,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(C)n2)cn1,MLINIZZBXJXNCS-UHFFFAOYSA-N,3,1,0.457,16,879,459.897,4.193,5,0.372,0.8,1.0,0.6945291618120759,0.6167243506270988,0.5364693989445548,0.4354567884312247,0.5707949249537386
EOS-3-19108,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,GGPSMEQHBZWBSF-UHFFFAOYSA-N,3,1,0.319,30,737,430.475,4.316,6,0.414,0.73,0.999,0.04504489068603934,0.07436947433349325,0.2156123637858954,0.3207199643615928,0.1639366732917552
EOS-3-19109,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)nc2)cn1,PYGZDLSMOGPUBH-UHFFFAOYSA-N,3,1,0.409,51,48,449.837,2.847,5,0.385,0.63,1.0,0.6974504831745597,0.7455880337194161,0.24078198889726543,0.29278322253443906,0.4941509320814201
EOS-3-19110,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)cn2)nn1,UUOOYAMUURKIOF-UHFFFAOYSA-N,3,1,0.468,58,795,449.837,2.847,5,0.385,0.63,1.0,0.7783907888424371,0.8454783770817628,0.22619251593448017,0.28985333424713866,0.5349787540264547
EOS-3-19111,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)cn2)n1,OXXIBJKDJGTVHU-UHFFFAOYSA-N,3,1,0.298,86,812,436.439,3.007,6,0.41,0.66,1.0,0.16739771091768899,0.0909636077033788,0.08926735658967858,0.07384689191967651,0.10536889178260572
EOS-3-19112,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cn4)n23)cc1,GZINGFPGLUIHFS-UHFFFAOYSA-N,3,1,0.424,62,504,481.491,3.994,5,0.379,0.89,1.0,0.14265643204715237,0.2069940374203276,0.4741792886025632,0.3334075800150778,0.2893093345212802
EOS-3-19113,Fc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nn1,USOBLFZONBMKTO-UHFFFAOYSA-N,3,1,0.333,98,620,426.375,2.623,6,0.418,0.67,1.0,0.07464361592762662,0.17147556713042286,0.19127373038174217,0.25105373175245016,0.17211166129806044
EOS-3-19114,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ccnc(F)c5)c4)n23)cc1,RTZQCQOANVRKGV-UHFFFAOYSA-N,3,1,0.322,94,673,453.416,3.774,6,0.375,0.7,0.995,0.014512370639435269,0.18025666506750737,0.6961911452265095,0.7379634706325817,0.4072309128915085
EOS-3-19115,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nc1,FJGKTGWUTLZMBU-UHFFFAOYSA-N,3,1,0.338,38,42,421.424,3.304,6,0.426,0.7,1.0,0.20926427249674456,0.10695805633609759,0.26204509629223494,0.2395654855732986,0.20445822767459393
EOS-3-19116,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)c2)nn1,SLWLSJPIMLTCHS-UHFFFAOYSA-N,3,1,0.304,42,725,421.424,3.304,6,0.426,0.7,1.0,0.09046672606401206,0.05549653896237407,0.3915941333698855,0.37219004866013294,0.22743686176410113
EOS-3-19117,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)no1,YBCNVSBAVUSXSN-UHFFFAOYSA-N,3,1,0.53,73,212,438.81,3.311,5,0.407,0.72,1.0,0.7097868549105613,0.8204115550681927,0.33915598656706186,0.39725687067370297,0.5666528168048797
EOS-3-19118,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c2)n(C)n1,RFDDUYAUFANVIQ-UHFFFAOYSA-N,3,1,0.556,43,11,432.434,4.357,5,0.413,0.76,1.0,0.5271914193681037,0.5171852511822356,0.8351466657528613,0.7922777739702557,0.6679502775683641
EOS-3-19119,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nn1,SMWCWUYTRWJMEC-UHFFFAOYSA-N,3,1,0.325,98,356,451.429,2.64,6,0.398,0.63,0.995,0.13451785347131792,0.2321122609827976,0.16858851346720582,0.2481581111644164,0.19584418477143445
EOS-3-19120,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)nc1,UWFGBLBCTCATLA-UHFFFAOYSA-N,3,1,0.284,98,314,451.429,2.64,6,0.398,0.63,1.0,0.18143890069220753,0.23712391200054828,0.3024638475772737,0.3429597011856624,0.265996590363923
EOS-3-19121,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)nn1,HIGJSXNBCGCGPN-UHFFFAOYSA-N,3,1,0.289,70,14,433.439,2.501,6,0.412,0.63,0.989,0.06881810705229251,0.06708758823932562,0.1782520046604071,0.17372010143238983,0.12196945034610376
EOS-3-19122,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)n2)n1,LJUPGIBEYDWKMU-UHFFFAOYSA-N,3,1,0.29,76,935,433.439,2.501,6,0.412,0.63,0.996,0.052652319923240355,0.02845932424097046,0.05505962579672401,0.07762490576382702,0.05344904393119046
EOS-3-19123,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)n1,QDTLUBWPJWNXET-UHFFFAOYSA-N,3,1,0.284,76,387,433.439,2.501,6,0.412,0.63,1.0,0.056164759098074155,0.040907065999588786,0.08440991021862793,0.1062898362003975,0.07194289287917209
EOS-3-19124,Clc1cc(-c2nnc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)o2)ccn1,ZOUFVNMJCSYZNA-UHFFFAOYSA-N,3,1,0.289,70,989,454.841,3.409,6,0.364,0.76,0.994,0.12918065931053388,0.23713247892536496,0.14990405044205332,0.22454766636967993,0.18519121376190803
EOS-3-19125,Cc1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n2)nn1,FSNDHBALQAZASZ-UHFFFAOYSA-N,3,1,0.424,53,128,431.847,2.974,5,0.413,0.61,1.0,0.44563429511342606,0.6167329175519156,0.14072887396340208,0.17095298471660614,0.3435122678363375
EOS-3-19126,Cc1ccnc(-c2cn(C)nc2-c2cncc3nnc(-c4cncnc4-c4cccnc4)n23)n1,GVOVESJPMQFAKT-UHFFFAOYSA-N,3,1,0.267,94,780,447.466,2.809,6,0.401,0.65,1.0,0.03757453224590501,0.03126070865602083,0.07310156946062642,0.07586011925159344,0.05444923240353643
EOS-3-19127,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)o1,CVJBUOBWKUTWIV-UHFFFAOYSA-N,3,1,0.5,89,408,428.412,2.223,5,0.43,0.62,1.0,0.39810499623055307,0.14798505928311972,0.15283393872935372,0.07385545884449318,0.1931948632718799
EOS-3-19128,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nn4)n23)ccc1F,SDMSGZHEJXDMBV-UHFFFAOYSA-N,3,1,0.432,54,411,433.382,2.599,5,0.412,0.64,0.71,0.5502450140497567,0.4993060790898499,0.2477383318483997,0.2481666780892331,0.38636402576930984
EOS-3-19129,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)ns4)n23)cn1,HFLUZHIKBNTNBX-UHFFFAOYSA-N,3,1,0.368,82,204,414.454,2.731,5,0.481,0.75,1.0,0.1451751079432527,0.08799088479199507,0.0412497429922555,0.03538139949283805,0.07744928380508533
EOS-3-19130,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccccc6)cnn5C)n34)nc2)n1,SNGHMTOXVMXECP-UHFFFAOYSA-N,3,1,0.278,98,342,435.455,2.444,6,0.414,0.65,0.99,0.018872935371119184,0.01927558083750257,0.051170241929956825,0.07386402576930985,0.04079569597697211
EOS-3-19131,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nn4)n23)s1,CZVHMNDXDCOUOL-UHFFFAOYSA-N,3,1,0.364,33,53,471.506,2.571,6,0.38,0.74,0.956,0.18995442395997533,0.023687547118086492,0.016011582482352134,0.019763895552052636,0.062354362278116644
EOS-3-19132,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)nc1,SQXKYLZWERILHS-UHFFFAOYSA-N,3,1,0.439,18,873,428.431,3.107,5,0.406,0.66,0.999,0.6672777739702557,0.5171938181070523,0.39547495031183605,0.37533411006785006,0.4888201631142485
EOS-3-19133,Fc1cnc(Cl)c(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)c1,MCWMBECRCRZIIT-UHFFFAOYSA-N,3,1,0.478,72,433,433.834,4.015,5,0.386,0.74,1.0,0.82460934822836,0.7964155986567062,0.7612997738331848,0.782956959769721,0.791320420121993
EOS-3-19134,Cn1cc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)cn1,KMESNLWNZZPSKY-UHFFFAOYSA-N,3,1,0.441,18,773,434.41,2.882,5,0.379,0.71,1.0,0.5115824823521349,0.33296209992461107,0.5952042354876294,0.5539630594201905,0.4984279692961414
EOS-3-19135,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5nnc(C)s5)c(F)c4)n23)cn1,YENHGNCILONSDJ-UHFFFAOYSA-N,3,1,0.576,37,619,448.487,3.477,5,0.389,0.69,1.0,0.7696439586046193,0.7713830443424029,0.17826057158522376,0.15489856761017065,0.46854653553560416
EOS-3-19136,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)nc(C)n2)cn1,YGGBHSGBBOOOGR-UHFFFAOYSA-N,3,1,0.427,46,330,462.876,4.027,5,0.385,0.71,1.0,0.6733774244397231,0.6117812350078816,0.4915358782811322,0.4971986155849496,0.5684732883284217
EOS-3-19137,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nccc(Cl)n5)c4)n23)cn1,MEMKSTVNYUNMRC-UHFFFAOYSA-N,3,1,0.438,55,382,460.845,1.765,5,0.369,0.69,0.915,0.521768555959153,0.43257830169282435,0.09148619011719553,0.0863032006031115,0.2830340620930711
EOS-3-19138,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)cc1,ZQVDSLFADZUCFQ-UHFFFAOYSA-N,3,1,0.419,42,50,447.437,3.906,6,0.4,0.66,1.0,0.36195257350421495,0.4993146460146666,0.494842711260366,0.5443252690014393,0.4751087999451717
EOS-3-19140,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nc(-c5cccs5)n(C)n4)n23)nc1,YEXCGYZFDOZYAZ-UHFFFAOYSA-N,3,1,0.277,99,813,440.496,3.111,6,0.415,0.66,0.943,0.03623809197450483,0.0707627989856761,0.038422657802755125,0.04118977451853883,0.046653330820368724
EOS-3-19141,Cc1cc(-c2nc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ccc2F)cc(C)n1,FMELRDGKYDWQPM-UHFFFAOYSA-N,3,1,0.383,31,662,444.474,3.625,5,0.408,0.73,1.0,0.3710078130354328,0.35265746007813037,0.2514735110684669,0.16559865670618876,0.2851843602220547
EOS-3-19142,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncn4)n23)nc1,ZSKIXZPCOYBREK-UHFFFAOYSA-N,3,1,0.385,46,128,452.265,3.319,5,0.396,0.63,1.0,0.5165084641217189,0.6644335549311219,0.3505671304228634,0.4575166198341443,0.49725644232746213
EOS-3-19143,Cc1cn(C)c(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)ncn2)n1,ZHGJJFVPRGLQRE-UHFFFAOYSA-N,3,1,0.392,33,53,442.443,1.363,5,0.411,0.63,0.369,0.27151154821465284,0.08130868343499417,0.03566410801178809,0.012053663217051607,0.10013450071962168
EOS-3-19144,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cc2)ccn1,ONIBSJCUHCFZNW-UHFFFAOYSA-N,3,1,0.329,42,171,428.459,4.372,6,0.411,0.75,1.0,0.12340655198409979,0.15197724624768694,0.6879497635528751,0.6771468713590569,0.4101201082859297
EOS-3-19145,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(CO)c5)ccn4)n23)cc1F,GZQUDJLRTJQUPK-UHFFFAOYSA-N,3,1,0.305,74,802,469.48,3.296,5,0.392,0.77,1.0,0.27939311904598724,0.2832996367623878,0.5985967377150299,0.4972071825097663,0.4146241690082928
EOS-3-19146,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)nn2)o1,RKNIHUXYZCLWBR-UHFFFAOYSA-N,3,1,0.317,98,356,453.401,2.598,6,0.388,0.64,1.0,0.2447313412377493,0.32838736207251046,0.07079706668494277,0.13331848399698445,0.19430856349804676
EOS-3-19147,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)ccn2)cn1,XFPYBXDCYASAQM-UHFFFAOYSA-N,3,1,0.731,75,583,427.443,3.712,5,0.408,0.69,1.0,0.7432663970940991,0.7132136248372284,0.5364779658693716,0.49104756356658213,0.6210013878418204
EOS-3-19148,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)ccc1Cl,DSSGSLYFELZGCY-UHFFFAOYSA-N,3,1,0.608,59,91,432.846,4.62,5,0.403,0.77,1.0,0.9520423548762936,0.9680710712082791,0.9253735179220067,0.9297169488040573,0.9438009732026591
EOS-3-19149,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)ccc1-c1nnco1,XURXVZPIUSKTQA-UHFFFAOYSA-N,3,1,0.329,30,220,435.422,4.709,6,0.396,0.79,1.0,0.31668494277294224,0.3953121787403194,0.7115430744979782,0.7431464601466657,0.5416716640394763
EOS-3-19150,CCc1ccc(-c2nnco2)cc1-c1nnc2cncc(-c3ccc(-c4ncon4)cc3)n12,VZGOIWHNOPPDQM-UHFFFAOYSA-N,3,1,0.313,9,867,436.435,4.121,6,0.393,0.74,1.0,0.22574703584401343,0.1367366869988349,0.35441367966554727,0.314731683914742,0.2579072716057844
EOS-3-19151,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,XIDWKSOSUQXZJM-UHFFFAOYSA-N,3,1,0.294,30,317,434.438,4.24,6,0.386,0.73,0.959,0.010597285998218079,0.13674525392365156,0.6018521691453635,0.642510794325269,0.3479263758481256
EOS-3-19152,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc1,IAHSKXKQWGAYPV-UHFFFAOYSA-N,3,1,0.679,27,996,447.405,3.824,5,0.371,0.71,1.0,0.7922606401206223,0.767202385031869,0.830126447810294,0.7534096360770338,0.7857497772599548
EOS-3-19154,Cn1nc(-c2ccc(COc3cncc4nnc(-c5cncc(F)c5)n34)nc2)nc1C(F)F,VIFCBEWXEWIXKW-UHFFFAOYSA-N,3,1,0.541,92,69,453.388,3.033,5,0.386,0.7,0.999,0.46177438146802824,0.5590689466109245,0.40636351175382085,0.35268316085258034,0.4449725001713385
EOS-3-19155,CCc1nc(Cc2cncc3nnc(-c4cnc(Cl)nc4)n23)cc(C(F)(F)F)n1,MNYXWTUQAUTCFI-UHFFFAOYSA-N,3,1,0.35,68,455,420.786,3.197,4,0.468,0.64,1.0,0.3365002398738949,0.4635220341306285,0.6609982180796381,0.5407871290521554,0.5004519052840792
EOS-3-19156,Cn1nccc1-c1ccc(F)c(-c2nnc3cncc(COc4cccc(F)c4)n23)c1,HVXRYMBZPRDZDS-UHFFFAOYSA-N,3,1,0.404,14,189,418.407,4.049,5,0.431,0.8,1.0,0.4766808306490302,0.5780275512302104,0.8544136796655473,0.8404238914399287,0.6873864882461791
EOS-3-19157,CC#Cc1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(C)nc5)n34)c2)n1,YABDRBNYKBZAEO-UHFFFAOYSA-N,3,1,0.478,89,205,433.475,3.902,5,0.388,0.73,1.0,0.537266122952505,0.4235658967856898,0.582602289082311,0.4416335412240422,0.496266962511137
EOS-3-19158,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)cn1,XGZBXRQDKBGFGD-UHFFFAOYSA-N,3,1,0.451,36,52,454.376,2.37,5,0.394,0.66,1.0,0.44564286203824277,0.5038722500171339,0.5364865327941882,0.35911692138989787,0.46127964155986567
EOS-3-19159,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4cnc(-c5cncnc5)nc4)n23)nc1,BXWFHGNMFRFQMC-UHFFFAOYSA-N,3,1,0.337,80,874,449.438,2.626,6,0.386,0.65,1.0,0.422606401206223,0.252527242820917,0.1345264203961346,0.09600095949557946,0.22641525597971351
EOS-3-19160,COc1ccnnc1COc1cncc2nnc(-c3ccc(F)c(-c4cnc(C)cn4)c3)n12,QJOSUFSYYGHXQC-UHFFFAOYSA-N,3,1,0.447,4,677,444.43,3.073,5,0.39,0.68,1.0,0.6519772462476869,0.6644421218559385,0.39160270029470223,0.2898619011719553,0.49947099239257076
EOS-3-19161,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)ncn2)nn1,QOEHOBUAADIELJ-UHFFFAOYSA-N,3,1,0.245,99,813,434.427,1.896,6,0.404,0.65,0.953,0.00992906586251799,0.007967240079501062,0.08171989582619422,0.08631176752792817,0.04648199232403537
EOS-3-19163,CCc1cc(-c2cnc(C)nc2)cc(-c2nnc3cncc(Cc4cncc(Cl)c4)n23)n1,MUCAIHDYZVAQMM-UHFFFAOYSA-N,3,1,0.298,85,976,442.914,4.153,5,0.403,0.68,0.442,0.170053457610856,0.21181721609211157,0.3691744911246659,0.362595092865465,0.27841006442327465
EOS-3-19164,COCCn1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cc4)n23)cc1=O,WYLGZBZDUXVYDG-UHFFFAOYSA-N,3,1,0.327,14,740,440.467,2.042,5,0.378,0.68,1.0,0.1981872387087931,0.010348845178534714,0.23702110890274827,0.2162291823726955,0.1654465937906929
EOS-3-19165,Cc1cnc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cn5)n34)cn2)cn1,GMIHCKUAIIYTNA-UHFFFAOYSA-N,3,1,0.265,86,953,451.429,2.734,6,0.398,0.63,0.972,0.0068535398533342475,0.09409053526146255,0.1436244945514358,0.17629874580220684,0.10521682886710985
EOS-3-19166,Fc1ccc(COc2cncc3nnc(-c4cncnc4-c4ncccn4)n23)c(F)c1F,DGGQAFCPXHCQFJ-UHFFFAOYSA-N,3,1,0.467,73,577,436.357,3.035,5,0.387,0.68,1.0,0.8140720307038586,0.7543262970324173,0.7165889932149956,0.7112689329038449,0.7490640634637791
EOS-3-19167,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)nc1,DYIVNUZXXTYFCJ-UHFFFAOYSA-N,3,1,0.398,46,62,436.838,3.353,5,0.39,0.68,1.0,0.7004574737852101,0.6117898019326983,0.559754300596258,0.5505619902679734,0.6056408916455349
EOS-3-19168,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)nn5)n34)nc2)n1C,MIDKIOZYKPILEF-UHFFFAOYSA-N,3,1,0.274,70,813,435.451,3.612,6,0.413,0.66,0.75,0.09267699266671235,0.03444760468782126,0.2191847714344459,0.19558289356452607,0.1354730655883764
EOS-3-19169,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)nn1,ARSCYSVYIAAWSJ-UHFFFAOYSA-N,3,1,0.42,53,785,429.419,2.502,5,0.401,0.65,0.996,0.6145226509492153,0.4945600027414159,0.24774689877321637,0.24240113768761565,0.3998076725378658
EOS-3-19170,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cc1=O,PKLOSMUCUWXMGK-UHFFFAOYSA-N,3,1,0.5,15,490,459.897,3.222,5,0.384,0.71,1.0,0.5475721335069563,0.4809899938318141,0.43151600301555754,0.4511428277705435,0.4778052395312179
EOS-3-19171,Fc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cc2F)nc1,ODWPAQAASPINNJ-UHFFFAOYSA-N,3,1,0.42,46,775,452.812,3.549,5,0.399,0.65,1.0,0.8461380302926461,0.8488708793091632,0.5665221712014256,0.6367623877732849,0.7245733671441299
EOS-3-19172,Cc1cc(Cl)cnc1-c1nnc2cncc(-c3ccc(-c4cn5cnnc5nn4)cc3)n12,LLOUALHPRZTVJZ-UHFFFAOYSA-N,3,1,0.267,98,63,440.858,3.315,6,0.412,0.65,1.0,0.23944554862586526,0.3139006922075252,0.22999623055308066,0.3753426769926667,0.28967128709478446
EOS-3-19174,CCOc1ncccc1-c1nnc2cncc(-c3ccc(-c4nnc(Cl)o4)cc3F)n12,JODZMSRDPGRIBP-UHFFFAOYSA-N,3,1,0.333,96,46,437.822,4.095,5,0.405,0.75,0.991,0.5773336303200604,0.6069237886368309,0.46382187649921186,0.457525186758961,0.5264011205537661
EOS-3-19175,Cn1nnnc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cc1F,CLHXGAODQQOXHH-UHFFFAOYSA-N,3,1,0.318,42,213,455.482,3.911,6,0.397,0.7,1.0,0.20364436981701048,0.34315674045644573,0.28438763621410457,0.3972654375985196,0.3071135460215201
EOS-3-19176,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccon5)cc4)n23)o1,KBVDXZFLDBOJNJ-UHFFFAOYSA-N,3,1,0.364,3,641,425.383,4.302,6,0.411,0.77,1.0,0.3189808786238092,0.39532074566513603,0.5091323418545679,0.5764255362894936,0.4499648756082517
EOS-3-19177,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5)n4)n23)nc1,AJAGIPWPCCFVHF-UHFFFAOYSA-N,3,1,0.301,99,952,440.406,1.764,6,0.402,0.61,1.0,0.012147899390034952,0.15586663011445412,0.05677301076005757,0.10213487766431362,0.08173060448221507
EOS-3-19178,Cc1ncc(-c2ccccc2)c(-c2nnc3cncc(-c4cccc(-c5nnco5)c4)n23)n1,IXQZDQVDEWIMKF-UHFFFAOYSA-N,3,1,0.266,30,220,432.447,4.274,6,0.406,0.73,1.0,0.09268555959152902,0.05937735590432458,0.309625796724008,0.3495562332944966,0.20281123637858955
EOS-3-19179,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncon5)nc4)n23)cc1,UJCKFUDBTUYPPU-UHFFFAOYSA-N,3,1,0.566,27,863,422.355,3.148,5,0.407,0.73,1.0,0.890240559248852,0.6255996847371668,0.5534319100815571,0.5005482831882667,0.6424551093139607
EOS-3-19180,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)s1,UMZSNJSERDFWDN-UHFFFAOYSA-N,3,1,0.588,84,142,433.472,3.774,5,0.402,0.71,1.0,0.5860290590089782,0.5832276745939278,0.3319426358714276,0.35269172777739705,0.46347277431293266
EOS-3-19181,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)nn2)cn1,YLFMJWLLQSIBML-UHFFFAOYSA-N,3,1,0.337,81,622,448.45,3.231,6,0.391,0.67,0.993,0.31409773147830855,0.16349119320128846,0.19482900418065932,0.187358645740525,0.21494414365019532
EOS-3-19182,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6nccs6)n5)n34)cn2)cn1,HOAGIPBTUQZHGC-UHFFFAOYSA-N,3,1,0.314,8,952,439.468,2.656,6,0.407,0.69,1.0,0.01888150229593585,0.07077136591049277,0.023130697005003083,0.02841648961688712,0.035300013707079705
EOS-3-19183,COc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cn1,JLGOYJCXUDXOPB-UHFFFAOYSA-N,3,1,0.371,92,182,447.846,2.674,5,0.383,0.64,0.997,0.4002638612843534,0.4457884997601261,0.2771228839695703,0.22770886162703036,0.33772102666027004
EOS-3-19184,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c1-c1cccc(F)c1,SKQIGDRODRFBCS-UHFFFAOYSA-N,3,1,0.385,42,693,448.465,4.455,6,0.396,0.76,1.0,0.10990507847303133,0.2679734082653691,0.637507710232335,0.6740799122746899,0.4223665273113563
EOS-3-19185,Cc1nc(COc2cncc3nnc(-c4cc(-c5cccc(F)c5)ccn4)n23)ccc1F,QLVFSPAQYOLNRS-UHFFFAOYSA-N,3,1,0.483,44,560,430.418,4.414,5,0.411,0.78,1.0,0.555290932766774,0.5680556507436091,0.7970752518675897,0.790024672743472,0.6776116270303612
EOS-3-19186,COc1ccc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4cncn4C)c3)n12,GBBXUKOSDIZYHW-UHFFFAOYSA-N,3,1,0.5,43,521,446.898,4.433,5,0.384,0.77,1.0,0.6062727023507641,0.5218542252073196,0.7883969570283051,0.6999605921458433,0.654121119183058
EOS-3-19187,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cc(C)nn5C)c4)n23)cc1,MHVSBIDSUZMKML-UHFFFAOYSA-N,3,1,0.511,89,571,455.482,2.229,5,0.413,0.65,1.0,0.38731067096155164,0.13675382084846824,0.1465286820642862,0.05860633267082448,0.18229987663628264
EOS-3-19188,Cc1cnnc(-c2cccc(-c3nnc4cncc(COc5ncc(Cl)cn5)n34)c2)n1,ZRHFSHFYPHFDBX-UHFFFAOYSA-N,3,1,0.383,85,351,431.847,2.974,5,0.413,0.65,1.0,0.40891645534918786,0.38139949283805086,0.15577239394147077,0.1604756356658214,0.2766409944486327
EOS-3-19189,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)c2)cn1,SDXYSYMZEYTHJB-UHFFFAOYSA-N,3,1,0.238,99,286,436.443,1.839,6,0.406,0.6,0.997,0.02869919813583716,0.02142587896648619,0.09369645671989582,0.08632033445274484,0.057535467068741006
EOS-3-19190,Cn1cncc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)n1,MLAZEASFFNARLQ-UHFFFAOYSA-N,3,1,0.354,32,126,448.465,4.455,6,0.396,0.74,1.0,0.15913919539442123,0.26798197519018574,0.6228754026454664,0.6425193612500857,0.42312898362003976
EOS-3-19192,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cncc(-c4cncnc4)c3)n12,MNSLWTKIZBYIQY-UHFFFAOYSA-N,3,1,0.448,2,419,434.822,3.41,5,0.414,0.67,1.0,0.7577530669590844,0.7455966006442327,0.7705863203344527,0.7735162086217532,0.7618630491398807
EOS-3-19193,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4nccnn4)cn3)n12,KCHABSYAOFVHBG-UHFFFAOYSA-N,3,1,0.524,51,446,435.81,2.805,5,0.41,0.63,1.0,0.7069255020217943,0.9251507778767734,0.36173840038379823,0.45115139469536014,0.6112415187444314
EOS-3-19194,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)nc1,WLLGVFPKOSICDA-UHFFFAOYSA-N,3,1,0.398,82,412,428.456,3.002,5,0.454,0.69,1.0,0.3757196216846001,0.19306421766842574,0.48487081077376465,0.21335069563429512,0.3167513364402714
EOS-3-19195,COc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1ccccn1,HWSFHBPTWSPHHC-UHFFFAOYSA-N,3,1,0.489,15,777,425.452,3.273,5,0.392,0.7,1.0,0.5605167569049414,0.34789424988006307,0.2656260708656021,0.19016859708039202,0.3410514186827497
EOS-3-19196,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCc4cncs4)n23)n1,WLEFKHSDPYNFFH-UHFFFAOYSA-N,3,1,0.449,44,531,437.435,3.87,5,0.412,0.71,1.0,0.6174782400109656,0.5446593790692893,0.5566616407374408,0.55057055719279,0.5673424542526215
EOS-3-19197,COc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)nc5)n34)nc2)nc1,QUJMOKAVCJNVRY-UHFFFAOYSA-N,3,1,0.382,2,412,416.376,2.978,5,0.399,0.82,1.0,0.786777808237955,0.6989582619422932,0.41294291001302175,0.29892570762798987,0.5494011719553149
EOS-3-19198,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3cnn(-c4ccnnc4)c3)n12,TUGXVAGKNUTZFP-UHFFFAOYSA-N,3,1,0.309,42,151,448.45,2.9,6,0.392,0.64,1.0,0.0435371119183058,0.021434445891302858,0.3208913028579261,0.24511685285449936,0.15774492838050852
EOS-3-19199,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)cn4)n23)nc1,YZLNSFWHAJUNLN-UHFFFAOYSA-N,3,1,0.398,33,828,455.442,1.157,5,0.375,0.62,1.0,0.3213796175724762,0.06709615516414227,0.033059762867521075,0.012927489548351724,0.10861575628812283
EOS-3-19200,COc1cccc(COc2cncc3nnc(-c4ccc(-c5noc(C)n5)nc4)n23)c1Cl,RBVWWLDDPGIONT-UHFFFAOYSA-N,3,1,0.453,55,283,449.858,3.786,5,0.382,0.76,1.0,0.6313138235898842,0.6644506887807553,0.3916112672195189,0.33020355013364405,0.5043948324309506
EOS-3-19201,CCc1ccc(COc2cncc3nnc(-c4ccc(-c5nc(C)n[nH]5)c(Cl)c4)n23)nc1,SDSVCRFLHAWBAR-UHFFFAOYSA-N,3,1,0.516,4,677,446.902,4.075,5,0.418,0.74,1.0,0.5245699403742032,0.6694452059488726,0.41681516003015556,0.36888321568089916,0.4949283805085326
EOS-3-19202,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4ncccn4)ncc3F)n12,GHHGWMPXOOFRBV-UHFFFAOYSA-N,3,1,0.5,65,359,431.435,2.446,5,0.403,0.68,1.0,0.43380337194160784,0.4279949969159071,0.1115070934137482,0.09600952642039613,0.2673287471729148
EOS-3-19203,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ccn3)n12,ZWXIVTUMJADFRZ-UHFFFAOYSA-N,3,1,0.516,11,0,446.873,4.662,5,0.377,0.8,1.0,0.92515934480159,0.944631964909876,0.7705948872592694,0.8143204715235419,0.8636766671235693
EOS-3-19204,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)n1C,XMHWTYBSSMWQMU-UHFFFAOYSA-N,3,1,0.381,7,128,433.863,2.918,5,0.416,0.64,1.0,0.4666575286135289,0.5082670824480844,0.17826913851004045,0.17630731272702352,0.3323752655746693
EOS-3-19205,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cc2F)nc1,PBJWSJLPUFPYTJ-UHFFFAOYSA-N,3,1,0.571,35,325,445.433,3.851,5,0.392,0.67,1.0,0.9447176341580427,0.9317901446096909,0.6772582413816737,0.6454663833870194,0.7998081008841066
EOS-3-19206,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5nccs5)n4)n23)c1,BPBMFICLQWIXCC-UHFFFAOYSA-N,3,1,0.307,39,527,443.431,2.487,6,0.404,0.64,0.905,0.020963265026386128,0.11939723116989925,0.020192241792886027,0.06165615790555822,0.05555222397368241
EOS-3-19207,COc1cccc(-c2nnc3cncc(Oc4ncc(-c5cncn5C)cc4F)n23)c1,JMLCEUGOQCIDMG-UHFFFAOYSA-N,3,1,0.43,16,412,417.404,3.527,5,0.432,0.79,1.0,0.6313223905147008,0.5882564594613118,0.6079346857651977,0.44811870331025977,0.5689080597628675
EOS-3-19208,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)nc2C)n1,SLBRPQQINUAXCP-UHFFFAOYSA-N,3,1,0.506,7,690,435.451,3.106,5,0.409,0.67,0.994,0.5502535809745733,0.35771194571996434,0.26563463779041874,0.1792971694880406,0.3382243334932492
EOS-3-19209,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4ncccc4F)n23)n1,QEFPOURRZUJNBF-UHFFFAOYSA-N,3,1,0.41,18,531,446.421,3.246,5,0.392,0.66,1.0,0.642922006716469,0.544667945994106,0.3731666780892331,0.3914484956480022,0.48805128161195255
EOS-3-19210,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)nc4)n23)ncc1Cl,RYELKDWMWLBWGV-UHFFFAOYSA-N,3,1,0.483,55,469,424.783,3.003,5,0.419,0.68,1.0,0.6825269001439244,0.6791943663902406,0.49154444520594887,0.510622986772668,0.5909721746281955
EOS-3-19211,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cn1,HEBYBKMFIRRWOT-UHFFFAOYSA-N,3,1,0.506,65,282,428.431,3.107,5,0.406,0.68,1.0,0.8531971763415804,0.8641971078061819,0.45695120279624424,0.37535124391748337,0.6374241827153725
EOS-3-19212,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)c(F)c1,YBYDTGWHVILGJD-UHFFFAOYSA-N,3,1,0.321,25,745,471.435,2.723,6,0.385,0.68,1.0,0.19266157220204236,0.35772051264478105,0.3354807758207114,0.4099616201768213,0.323956120211089
EOS-3-19213,Cc1n[nH]c(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cncnc6)cn5)n34)nn2)n1,SJBZSYFCRSCXGV-UHFFFAOYSA-N,3,1,0.226,86,953,435.415,1.589,6,0.428,0.62,0.28,0.0495253923651566,0.05550510588719074,0.035672674936604754,0.037437461448838326,0.044535158659447606
EOS-3-19214,Fc1ncc(Cl)nc1CCOc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,DQQIFXJYRBNJHW-UHFFFAOYSA-N,3,1,0.473,18,181,448.849,3.452,5,0.389,0.67,1.0,0.6284953053252005,0.5928911657871291,0.2951648276334727,0.3787608799945172,0.47382804468507983
EOS-3-19215,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)cn2)n1,MRXMLAGKQPYUES-UHFFFAOYSA-N,3,1,0.307,10,356,451.429,2.64,6,0.398,0.62,0.419,0.12061373449386609,0.1930727845932424,0.1782777054348571,0.25424062778425055,0.18655121307655403
EOS-3-19216,Cc1ncccc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ncn1,SHRRUDQSZPDXDM-UHFFFAOYSA-N,3,1,0.533,44,130,427.443,3.712,5,0.408,0.7,0.997,0.7400880679871154,0.6212391200054829,0.5163799602494689,0.4851620862175314,0.5907173086148996
EOS-3-19217,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nc5)n34)cc2)n1,WGNPIICEGYJPJK-UHFFFAOYSA-N,3,1,0.324,42,327,443.474,4.076,6,0.401,0.68,1.0,0.16740627784250564,0.11312624220409842,0.4315245699403742,0.3818107052292509,0.2734669488040573
EOS-3-19219,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1F,NWKNUHDGPPHQGK-UHFFFAOYSA-N,3,1,0.517,4,911,435.85,3.958,5,0.389,0.73,1.0,0.664459255705572,0.6891148653279419,0.7613083407580015,0.7586097594407512,0.7183730553080666
EOS-3-19220,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnc5)nc4)n23)ccc1Cl,DXMSHPPZZIBTSR-UHFFFAOYSA-N,3,1,0.536,97,214,428.883,4.789,5,0.4,0.83,1.0,0.8664502090329655,0.8698598451099994,0.8116304571311083,0.7900332396682886,0.8344934377355904
EOS-3-19221,Clc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)cn1,AJPUJRKDDHOVQO-UHFFFAOYSA-N,3,1,0.33,70,687,464.88,3.816,6,0.358,0.76,0.981,0.192670139126859,0.3191693509697759,0.3173188952093756,0.4163354122404222,0.31137344938660816
EOS-3-19222,Cn1cncc1-c1cc(C#N)cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,CDARRYVQGAFMRL-UHFFFAOYSA-N,3,1,0.5,26,563,456.897,3.733,5,0.383,0.71,1.0,0.7609827976149681,0.6694537728736892,0.6879583304776917,0.6712528270851895,0.6974119320128846
EOS-3-19223,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)cc1)N1CCOCC1,SRODOPXHIIWDIC-UHFFFAOYSA-N,3,1,0.456,62,376,480.503,4.132,6,0.385,0.87,1.0,0.07280172709204304,0.05938592282914125,0.13453498732095126,0.31474025083955864,0.14536572202042353
EOS-3-19224,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)cc1)N1CCOCC1,ATFYUSARNVUWCG-UHFFFAOYSA-N,3,1,0.461,62,376,480.503,4.132,6,0.385,0.87,1.0,0.09269412651634569,0.07777054348571037,0.13156226440956753,0.30847782879857444,0.15262619080254952
EOS-3-19225,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(Cl)c5)cn4)n23)cc1,JNDRHZFGCKPVEK-UHFFFAOYSA-N,3,1,0.57,97,210,450.289,4.529,5,0.364,0.79,1.0,0.9143564526077719,0.9572082105407443,0.7324035364265643,0.805522239736824,0.8523726098279761
EOS-3-19226,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncc(F)cn6)n5)n34)cn2)o1,OVBRJNYKKQQEBM-UHFFFAOYSA-N,3,1,0.322,76,902,451.425,3.808,6,0.394,0.68,1.0,0.3062075937221575,0.3814080597628675,0.27297649235830307,0.2631159618943184,0.30592702693441165
EOS-3-19227,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cc2)nc1,SCJNABFZBKMKEZ-UHFFFAOYSA-N,3,1,0.306,38,608,419.408,3.36,6,0.423,0.72,1.0,0.1511291206908368,0.1228411349461997,0.2881056815845384,0.28395072304845453,0.21150666506750737
EOS-3-19228,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2F)o1,USOMSTLAQHVDTR-UHFFFAOYSA-N,3,1,0.489,4,212,438.81,3.311,5,0.407,0.69,1.0,0.7069340689466109,0.7223373997669796,0.38069700500308407,0.3942670139126859,0.5510588719073402
EOS-3-19229,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5cnccc5-c5ccccc5)n34)n2)c1,ROJTXIKFAGKOMF-UHFFFAOYSA-N,3,1,0.31,30,298,434.438,4.24,6,0.413,0.69,0.299,0.018016242889452402,0.17148413405523952,0.5430573641285724,0.6566462202727709,0.3473009903365088
EOS-3-19230,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(Cl)c1,DCKCJUFGBNYMRC-UHFFFAOYSA-N,3,1,0.472,36,610,454.281,3.263,5,0.398,0.66,1.0,0.42261496813103966,0.5633866767185252,0.3580203550133644,0.4354653553560414,0.4448718388047426
EOS-3-19231,COc1nnc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cncnc1,GZLUJQYARKXAAJ-UHFFFAOYSA-N,3,1,0.471,65,466,427.428,2.063,5,0.381,0.71,0.995,0.3981135631553697,0.18430025358097457,0.14073744088821877,0.09802275375231306,0.20529350284421904
EOS-3-19232,COc1ccc(CCc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4OC)n23)cn1,MXMIUYKLWCLUGP-UHFFFAOYSA-N,3,1,0.392,14,467,457.469,3.585,5,0.366,0.75,1.0,0.547580700431773,0.5038808169419505,0.4129514769378384,0.26633712562538553,0.4326875299842369
EOS-3-19233,Cn1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccsc5)c4)n23)cn1,IJQPYGMFUFSNOB-UHFFFAOYSA-N,3,1,0.588,35,847,420.473,4.014,5,0.415,0.81,1.0,0.6766928243437735,0.6742169830717566,0.622883969570283,0.607077993283531,0.645217942567336
EOS-3-19235,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)nc1,IDYGCZJBRCWMBR-UHFFFAOYSA-N,3,1,0.568,11,595,430.418,4.148,5,0.377,0.75,1.0,0.9198649852648894,0.8612243848947981,0.8261171269960935,0.812024535672675,0.8548077582071141
EOS-3-19236,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)c2)nc1,ZPANGDSGGBLRJY-UHFFFAOYSA-N,3,1,0.398,73,65,437.345,2.43,5,0.382,0.68,1.0,0.6974590500993764,0.6167414844767323,0.5498852032074566,0.560396819957508,0.6061206394352683
EOS-3-19237,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4cnccc4C)n23)n1,COHZRXFWEROHLW-UHFFFAOYSA-N,3,1,0.5,44,531,441.47,4.021,5,0.393,0.72,1.0,0.6886779521622918,0.6167500514015489,0.4638304434240285,0.43226132547460766,0.5503799431156192
EOS-3-19238,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)nc2)nc1,BYFDCCDAJGQYKL-UHFFFAOYSA-N,3,1,0.308,50,261,421.251,4.012,5,0.434,0.71,1.0,0.24765266260023303,0.36705846069494896,0.4708895894729628,0.6425279281749023,0.4320321602357618
EOS-3-19239,Cn1nncc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc(Cl)n1,HBGXVPPIVYICGZ-UHFFFAOYSA-N,3,1,0.461,13,251,440.801,3.706,5,0.393,0.7,0.997,0.41112672195188815,0.5633952436433418,0.7088273593310945,0.7637499143307518,0.611774809814269
EOS-3-19240,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(C)n4)n23)ccc1F,DMGRWYARQLOQDN-UHFFFAOYSA-N,3,1,0.419,31,690,430.447,3.317,5,0.422,0.67,0.891,0.4338119388664245,0.4005123021040367,0.3427198272907957,0.24240970461243233,0.3548634432184223
EOS-3-19241,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)nc5C)c4)n23)n1,MALOBXOVVYXVHZ-UHFFFAOYSA-N,3,1,0.488,7,567,430.497,3.604,5,0.417,0.74,1.0,0.2739445548625865,0.24767836337468302,0.077496401891577,0.039913302720855325,0.1597581557124255
EOS-3-19242,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)nc1,LDNQZESYJNRABJ-UHFFFAOYSA-N,3,1,0.28,70,179,449.453,3.85,6,0.377,0.73,0.998,0.08531800424919471,0.18026523199232403,0.5430659310533891,0.5106315536974847,0.3298201802480981
EOS-3-19243,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nnc(C)s5)nc4)n23)n1,KHKDCRATOOROGW-UHFFFAOYSA-N,3,1,0.478,58,579,430.497,3.338,5,0.404,0.73,0.998,0.5015249126173669,0.46772839421561235,0.05117880885477349,0.037446028373654995,0.26446953601535195
EOS-3-19244,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncccn1,BHCOOOGMJXXPIM-UHFFFAOYSA-N,3,1,0.602,35,325,447.861,4.057,5,0.362,0.74,1.0,0.9688249605921458,0.9659636077033787,0.6879668974025084,0.7027705434857103,0.8313815022959358
EOS-3-19245,COCc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)n1,BZQQUSJHNBCCMG-UHFFFAOYSA-N,3,1,0.402,46,181,444.43,2.903,5,0.374,0.65,1.0,0.43858371598930845,0.3329706668494277,0.2881142485093551,0.245125419779316,0.3261985127818518
EOS-3-19246,COc1cc(-c2nnc3cncc(OCc4cnc(F)s4)n23)ccc1-c1cn(C)cn1,UIYFGXMKBMENST-UHFFFAOYSA-N,3,1,0.483,16,591,437.46,3.375,5,0.402,0.69,1.0,0.7158522376807621,0.6021177438146803,0.42044753615242275,0.27186279213213627,0.5025700774450004
EOS-3-19247,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cc2)nc1,ZVVMNYPKPHGUTI-UHFFFAOYSA-N,3,1,0.343,42,983,429.447,3.767,6,0.417,0.67,1.0,0.1182149955451991,0.12284970187101638,0.4095932424097046,0.3942755808375026,0.2612333801658557
EOS-3-19248,CCOC(=O)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1,GNSKONZEZWVYIW-UHFFFAOYSA-N,3,1,0.468,89,205,453.462,3.399,5,0.342,0.78,1.0,0.3619611404290316,0.21676889863614557,0.30247241450209034,0.17631587965184017,0.26437958330477696
EOS-3-19249,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)cc2)n[nH]1,BQCKGQQZWVWXTB-UHFFFAOYSA-N,3,1,0.286,38,787,423.465,3.762,6,0.459,0.68,1.0,0.05965149749845795,0.12285826879583304,0.36918305804948254,0.3972740045233363,0.23724170721677745
EOS-3-19250,Cc1ncc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)n1C,HMFUTIVRMFGTPH-UHFFFAOYSA-N,3,1,0.5,36,10,434.41,3.147,5,0.419,0.66,1.0,0.5372746898773216,0.5726903570694264,0.5364950997190049,0.49721574943458297,0.535918974025084
EOS-3-19251,CC(C)(O)Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5(C)CC5)nc4)n23)cn1,GBCFQECKYNBYKX-UHFFFAOYSA-N,3,1,0.322,63,169,443.511,2.844,5,0.47,0.67,0.999,0.1952830511959427,0.1367623877732849,0.0817284627510109,0.07387259269412652,0.12191162360359123
EOS-3-19252,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccc4Cl)n23)cn1,XNHXLTZAQRYOFX-UHFFFAOYSA-N,3,1,0.462,97,109,447.861,4.323,5,0.396,0.74,1.0,0.8532057432663971,0.8915855664450689,0.7970838187924063,0.7735247755465698,0.8288499760126106
EOS-3-19253,Fc1cc(-c2ccnnc2)cnc1Cc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,ILCOAPDPUDDBLE-UHFFFAOYSA-N,3,1,0.33,56,893,451.429,2.553,6,0.419,0.59,1.0,0.37572818860941676,0.3283959289973271,0.36919162497429925,0.38824446576656846,0.3653900520869029
EOS-3-19254,COCCn1cc(-c2cncc3nnc(-c4ccc(F)c(-c5cnnc(Cl)c5)c4)n23)cn1,CEPUYESPZFWAQH-UHFFFAOYSA-N,3,1,0.31,22,844,450.865,3.551,5,0.39,0.7,1.0,0.21749708724556233,0.3379309163182784,0.592145843328079,0.6367709546981015,0.4460862003975053
EOS-3-19255,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccccc4)n23)c(F)c1,DMDOZXHYDWPUOH-UHFFFAOYSA-N,3,1,0.346,67,642,451.469,3.793,6,0.405,0.67,1.0,0.12615653485025016,0.3038431224727572,0.41296004386265506,0.4605835789185114,0.3258858200260435
EOS-3-19256,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)nc2)cn1,KZAKPSZQUMGBPZ-UHFFFAOYSA-N,3,1,0.272,9,339,447.437,3.906,6,0.375,0.71,1.0,0.23678980193269825,0.257350421492701,0.6610067850044548,0.6740884791995065,0.45730887190734015
EOS-3-19257,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)c1,WKYZJDOXXBNDTO-UHFFFAOYSA-N,3,1,0.301,10,673,450.893,4.754,6,0.385,0.79,0.998,0.00422349393461723,0.11313480912891509,0.7063857857583442,0.7808152285655541,0.40113982934685766
EOS-3-19258,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)nc1,YGTULUAARKNYTL-UHFFFAOYSA-N,3,1,0.267,70,957,436.414,3.03,6,0.414,0.63,1.0,0.015343362346652047,0.11940579809471592,0.29517339455828934,0.36580768967171545,0.1989325611678432
EOS-3-19259,Cn1cc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)nn1,KVBQNBGMCARQEX-UHFFFAOYSA-N,3,1,0.44,36,134,461.873,2.313,5,0.406,0.65,1.0,0.4089250222740045,0.45462956617092726,0.2656432047152354,0.24241827153724899,0.34290401617435406
EOS-3-19260,CNCc1cccc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)c1,PNUJMAJUCPXMHM-UHFFFAOYSA-N,3,1,0.484,1,383,458.547,4.222,5,0.372,0.8,1.0,0.4990148036460832,0.18870365293674182,0.6313138235898842,0.42905729559317385,0.4370223939414708
EOS-3-19261,OCc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)cn5)ncn4)n23)nc1,VLTZSAGQTGOSAC-UHFFFAOYSA-N,3,1,0.421,46,128,430.403,2.249,5,0.432,0.64,1.0,0.5297015283393873,0.4945685696662326,0.4204561030772394,0.3626036597902817,0.45183246521828524
EOS-3-19262,COCc1ncc(-c2nnc3cncc(-c4cccc(-c5nnn(C)n5)c4)n23)cc1F,HEJLNNFTYWXIPD-UHFFFAOYSA-N,3,1,0.318,61,917,417.408,2.329,5,0.429,0.73,1.0,0.27647179768350355,0.31917791789459254,0.20532348708107737,0.21623774929751216,0.2543027379891714
EOS-3-19263,Cn1nnc(-c2cc(F)cc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c2)n1,RDVYUGRZQRIRAZ-UHFFFAOYSA-N,3,1,0.506,36,728,438.814,2.143,5,0.38,0.67,1.0,0.49902337057089985,0.5975430059625797,0.2583527516962511,0.3019755328627236,0.4142236652731136
EOS-3-19264,Cn1cc(-c2nc(CCOc3cncc4nnc(-c5ccc(F)nc5)n34)ccc2F)cn1,LOKOKXSLVJBWDA-UHFFFAOYSA-N,3,1,0.511,87,468,434.41,2.882,5,0.379,0.69,1.0,0.577342197244877,0.5680642176684257,0.4813669385237475,0.4511599616201768,0.5194833287643068
EOS-3-19265,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnnn6C)o5)n34)cn2)nn1,BOYVJGUKRJMOBH-UHFFFAOYSA-N,3,1,0.31,99,14,438.415,1.797,6,0.396,0.65,1.0,0.05785244328695771,0.07077993283530944,0.015351929271468714,0.013467205811801795,0.039362877801384415
EOS-3-19266,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5nnc(C)o5)n4)n23)nc1,YNTJFRXBZBFOAO-UHFFFAOYSA-N,3,1,0.314,33,432,432.379,1.5,5,0.442,0.58,0.969,0.24473990816256597,0.15958467548488794,0.018444589130285793,0.00977486121581797,0.10813600849838942
EOS-3-19267,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,MIAKUWUVHMVSKH-UHFFFAOYSA-N,3,1,0.447,18,531,428.431,3.107,5,0.38,0.71,1.0,0.7312984031252142,0.5780361181550271,0.32809608662874373,0.2989342745528065,0.4840912206154479
EOS-3-19268,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)nc2)nn1,DMJZLGWHJVOOSM-UHFFFAOYSA-N,3,1,0.268,9,339,464.88,3.816,6,0.383,0.69,1.0,0.189962990884792,0.21182578301692825,0.46761702419299567,0.5309694332122541,0.3500938078267425
EOS-3-19269,Clc1ccccc1-n1ncc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)n1,ILGNMKBPCATVHX-UHFFFAOYSA-N,3,1,0.306,10,705,451.881,4.149,6,0.397,0.7,1.0,0.03108080323487081,0.20237646494414366,0.4427301076005757,0.5604053868823248,0.3091481906654787
EOS-3-19270,COc1cc(-c2nnc3cncc(OCc4nc(C#N)cs4)n23)ccc1-c1nc(C)no1,XDPVTMBJWPSNIG-UHFFFAOYSA-N,3,1,0.479,4,248,446.452,3.066,5,0.382,0.76,1.0,0.4456514289630594,0.432586868617641,0.14074600781303542,0.07948392844904394,0.2746170584606949
EOS-3-19271,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)n1,DIEJZVYKQBXVFI-UHFFFAOYSA-N,3,1,0.297,10,952,437.402,2.425,6,0.409,0.6,0.897,0.017142416558152285,0.16349976012610512,0.1286666438215338,0.21027516962511136,0.12989599753272565
EOS-3-19272,COCc1cccc(-c2cc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)ccn2)n1,ZDAFKAFUNRITAJ-UHFFFAOYSA-N,3,1,0.478,7,99,440.467,3.072,5,0.377,0.66,1.0,0.38267596463573433,0.14419847851415257,0.22620108285929683,0.13119388664245082,0.22106735316290863
EOS-3-19273,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5F)n34)cn2)n1,DCIRZCYOOTUWEV-UHFFFAOYSA-N,3,1,0.301,94,171,451.425,3.808,6,0.394,0.69,0.998,0.3291669522308272,0.3953293125899527,0.4462682475498595,0.4511685285449935,0.40548326022890824
EOS-3-19274,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)c(F)cn2)n1,BWVUNKYWROJROG-UHFFFAOYSA-N,3,1,0.51,16,772,458.413,2.763,5,0.404,0.66,1.0,0.6257367555342335,0.12286683572064971,0.32089986978274276,0.21335926255911178,0.32071568089918445
EOS-3-19276,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,XVMDBJGMMUVERW-UHFFFAOYSA-N,3,1,0.382,53,65,450.825,2.242,5,0.379,0.63,1.0,0.6229011034199163,0.639829346857652,0.12320951271331643,0.1930556507436091,0.39474890343362345
EOS-3-19277,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncc(C)n5)n4)n23)nc1,WXLZWZMLYLDVKN-UHFFFAOYSA-N,3,1,0.398,33,53,453.466,2.285,5,0.411,0.61,0.993,0.36880611335754915,0.11596189431841546,0.10108114591186347,0.04246624631622233,0.1570788499760126
EOS-3-19278,Cc1ccc(-c2nnc3cncc(CCc4cc(F)c(-c5nnn(C)n5)cc4Cl)n23)cc1,NSHNEARYBCRYMX-UHFFFAOYSA-N,3,1,0.438,61,784,448.893,3.868,5,0.405,0.71,1.0,0.39812213008018643,0.5355870056884381,0.4741878555273799,0.5636865190871085,0.49289587759577824
EOS-3-19279,Cn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)nn1C,JJKXRPDEPIOVAV-UHFFFAOYSA-N,3,1,0.407,95,956,424.827,3.51,5,0.438,0.71,0.998,0.30621616064697416,0.3860170653142348,0.5163885271742855,0.5636950860119252,0.4430792097868549
EOS-3-19280,Cc1cscc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)cc1,QTFJSOOAOCJVMP-UHFFFAOYSA-N,3,1,0.296,98,213,451.519,4.081,6,0.398,0.72,1.0,0.09983037488862997,0.12975464327325065,0.23702967582756493,0.2663456925502022,0.18324009663491192
EOS-3-19281,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)cc1,YPLBSCAQMRDTPM-UHFFFAOYSA-N,3,1,0.329,38,787,449.453,3.85,6,0.377,0.7,1.0,0.17539065177164007,0.2221060927969296,0.5229079569597698,0.5143324652182852,0.35868429168665616
EOS-3-19282,Cn1ccnc1-c1ncccc1-c1nnc2cncc(-c3cncc(-c4ccccn4)c3)n12,CTPDYAWKKATAOM-UHFFFAOYSA-N,3,1,0.283,42,392,431.463,3.711,6,0.419,0.66,1.0,0.0728102940168597,0.02369611404290316,0.25836131862106776,0.28088376396408743,0.1589378726612295
EOS-3-19283,Fc1ncccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)[nH]1,BQPWRAGEILXZTP-UHFFFAOYSA-N,3,1,0.316,9,38,435.426,3.84,6,0.419,0.7,1.0,0.20094578849976014,0.31390925913234186,0.5196096909053526,0.5888304434240285,0.40582379549037073
EOS-3-19285,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)[nH]4)n23)cn1,WADRXGNRPAREMK-UHFFFAOYSA-N,3,1,0.308,10,407,420.44,3.039,6,0.466,0.7,0.315,0.09744876978959632,0.04814611746967309,0.13775615105201836,0.1682458364745391,0.11289921869645672
EOS-3-19286,CCc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cn1,UJUXLMKZIYSKON-UHFFFAOYSA-N,3,1,0.512,16,846,427.443,3.924,5,0.406,0.71,1.0,0.8394386950860119,0.713222191762045,0.6169899252964156,0.527285655541087,0.6742341169213899
EOS-3-19287,Clc1nccnc1CCOc1cncc2nnc(-c3cncnc3-c3ccccn3)n12,DXNAHHWGBMJPGY-UHFFFAOYSA-N,3,1,0.454,65,324,431.847,2.708,5,0.4,0.66,0.981,0.5691522171201425,0.5928997327119457,0.09600095949557946,0.15490713453498733,0.35324001096566376
EOS-3-19289,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(C)n5)ns4)n23)cn1,RQWFAXFONDIYHZ-UHFFFAOYSA-N,3,1,0.463,7,283,459.495,2.347,5,0.406,0.67,1.0,0.38268453156055104,0.2321208279076143,0.04125830991707217,0.013938386676718525,0.167500514015489
EOS-3-19291,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,AXMRKJSRXGBHCK-UHFFFAOYSA-N,3,1,0.32,32,179,459.473,3.776,6,0.38,0.69,1.0,0.1727434720032897,0.019284147762319237,0.44981495442395997,0.3882530326913851,0.25752390172023853
EOS-3-19292,c1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cc1,UMHLIPHKOGTZSM-UHFFFAOYSA-N,3,1,0.297,30,365,418.424,2.891,6,0.429,0.73,0.992,0.013064560345418409,0.013364402714001782,0.04755499965732301,0.10629840312521417,0.04507059146048935
EOS-3-19293,c1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)nc2)ccn1,PXUKTZOVMAGMNQ-UHFFFAOYSA-N,3,1,0.259,70,957,418.424,2.891,6,0.429,0.73,1.0,0.0020046604071002672,0.006673634432184223,0.2806610239188541,0.31160475635665824,0.15023601877869922
EOS-3-19294,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccc5F)cc4OC)n23)cc1,VPPBXLDLLREYEN-UHFFFAOYSA-N,3,1,0.348,62,3,468.492,4.418,5,0.397,0.78,1.0,0.5090980741553012,0.4719690219998629,0.6285552737989172,0.47882256185319716,0.5221112329518196
EOS-3-19295,COCc1cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4OC)n23)ccc1F,GAGRFABOEDNOSF-UHFFFAOYSA-N,3,1,0.315,96,697,443.442,3.604,5,0.392,0.68,0.995,0.46434445891302856,0.48977109176889866,0.5665307381262422,0.4605921458433281,0.49530960866287443
EOS-3-19296,Cc1cnc(-c2nnc3cncc(Cc4cc(Cl)c(-c5ccccc5F)nn4)n23)cn1,MOWLNKQCZGOAHG-UHFFFAOYSA-N,3,1,0.333,85,81,432.85,3.73,5,0.427,0.66,1.0,0.3113905832362415,0.3139178260571585,0.38808169419505173,0.5272942224659036,0.38517108148858886
EOS-3-19297,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)c1,SSWUNNLXOYNDAT-UHFFFAOYSA-N,3,1,0.473,26,482,450.865,3.396,5,0.391,0.66,1.0,0.6062812692755808,0.6117983688575149,0.47089815639777943,0.5005568501130834,0.5473836611609896
EOS-3-19298,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cn1,IPXZSTXDYIGJCM-UHFFFAOYSA-N,3,1,0.462,7,535,433.382,2.95,5,0.398,0.66,1.0,0.6200911520800494,0.5975515728873964,0.595212802412446,0.4731426906997464,0.5714995545199095
EOS-3-19299,CCc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)cn1,YWZGQHFGRLJZOV-UHFFFAOYSA-N,3,1,0.565,75,420,428.431,3.319,5,0.406,0.67,1.0,0.6458004934548695,0.4945771365910493,0.3281046535535604,0.2542491947090672,0.4306828695771366
EOS-3-19300,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)ncn4)n23)cc1,ODMHQRNAGQRNHM-UHFFFAOYSA-N,3,1,0.314,38,882,450.441,3.245,6,0.376,0.68,1.0,0.1482077993283531,0.20700260434514425,0.4096018093345213,0.397282571448153,0.2905236961140429
EOS-3-19301,CCn1nc(-c2ccc(C)cn2)cc1-c1nnc2cncc(OCCc3ccncc3)n12,JQKOCIZBSLUKIL-UHFFFAOYSA-N,3,1,0.46,31,493,426.484,3.395,5,0.393,0.75,1.0,0.09745733671441299,0.003812281543417175,0.1037625933794805,0.08632890137756151,0.07284027825371804
EOS-3-19302,COc1nn(-c2cncnn2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3C)n12,AEUUVQYZPUWJAK-UHFFFAOYSA-N,3,1,0.272,63,66,469.469,1.433,6,0.387,0.73,1.0,0.08112877801384415,0.0707884997601261,0.0068535398533342475,0.004214927009800562,0.04074643615927626
EOS-3-19303,Cc1nn(C)cc1-c1ccc(CCc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,JMSJVZXNNUGKIX-UHFFFAOYSA-N,3,1,0.419,14,886,429.915,4.334,5,0.415,0.76,1.0,0.29048728668357204,0.4457970666849428,0.4604465081214447,0.4910561304913988,0.42194674799533954
EOS-3-19305,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)cn2)cn1,YERZBVQCGCXCGL-UHFFFAOYSA-N,3,1,0.489,65,579,445.874,3.017,5,0.388,0.66,1.0,0.6062898362003976,0.7964241655815228,0.1813874991433075,0.20444966074977727,0.4471377904187513
EOS-3-19306,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc2)nc1,SZVHPWUWIFAYNE-UHFFFAOYSA-N,3,1,0.415,31,602,445.874,3.017,5,0.388,0.66,0.999,0.6341837434034678,0.6937153039544925,0.1232180796381331,0.1401463230758687,0.3978158625179905
EOS-3-19307,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)cn4)n23)cc1,GBTOVAJYMMGZCH-UHFFFAOYSA-N,3,1,0.792,1,996,446.417,4.429,5,0.366,0.78,1.0,0.769652525529436,0.8007847303132067,0.9130799808100885,0.8661932012884654,0.8374276094852992
EOS-3-19308,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cn4)n23)cc1,LMJZECWBLHYCFR-UHFFFAOYSA-N,3,1,0.278,25,213,422.412,2.699,6,0.421,0.65,1.0,0.0830820368720444,0.07079706668494277,0.1407545747378521,0.16825440339935577,0.11572202042354877
EOS-3-19309,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncn5C)c4)n23)n1,VYLCHIMMZSLGTC-UHFFFAOYSA-N,3,1,0.506,26,125,452.881,3.339,5,0.392,0.72,1.0,0.557792474813241,0.6550527722568706,0.4535672674936605,0.48804057295593173,0.538613271879926
EOS-3-19310,Cc1ncncc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnc1F,JUSNFYYALKOLIV-UHFFFAOYSA-N,3,1,0.535,4,401,448.849,3.718,5,0.4,0.69,1.0,0.8864625454047015,0.937718456582825,0.4676255911178123,0.5041463916112672,0.6989882461791515
EOS-3-19311,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nn5)c4)n23)ccc1F,BBBZEULKUIKAAO-UHFFFAOYSA-N,3,1,0.506,24,486,448.849,3.718,5,0.4,0.69,0.995,0.6341923103282846,0.664459255705572,0.5126190802549517,0.5041549585360839,0.5788564012062231
EOS-3-19312,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(F)c4Cl)n23)cn1,VTYDBDDTHWUMRW-UHFFFAOYSA-N,3,1,0.467,55,85,436.838,3.353,5,0.417,0.65,1.0,0.6062984031252142,0.6550613391816873,0.47770886162703036,0.4972243163593996,0.5590732300733329
EOS-3-19313,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)n1,QHZDPFYBTCUCGK-UHFFFAOYSA-N,3,1,0.453,51,196,436.838,3.353,5,0.417,0.65,1.0,0.6229096703447331,0.6742255499965732,0.5019018573093003,0.5174679597011856,0.579126259337948
EOS-3-19314,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)nn1,JHUQQIRRYGLWCM-UHFFFAOYSA-N,3,1,0.473,16,55,432.394,3.204,5,0.39,0.67,1.0,0.740096634911932,0.5929082996367624,0.6138115961894318,0.5539716263450072,0.6251970392707833
EOS-3-19315,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccnc(-c6ccncn6)c5)n34)nc2)nc1,WUGUTJNDAFAPED-UHFFFAOYSA-N,3,1,0.299,94,557,430.435,3.162,6,0.415,0.65,1.0,0.19819580563360975,0.11941436501953259,0.25836988554588447,0.2510622986772668,0.2067605887190734
EOS-3-19316,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)c2)n1,DYFVTFPPHBCUTL-UHFFFAOYSA-N,3,1,0.325,67,745,452.457,3.188,6,0.405,0.64,1.0,0.2286597902816805,0.31392639298197517,0.3692001918991159,0.3818192721540676,0.3234014118292098
EOS-3-19317,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cnn(C)c4-c4ccc(F)cc4)n23)n1,SQASMARDRFONEK-UHFFFAOYSA-N,3,1,0.349,98,259,452.457,3.188,6,0.405,0.64,0.975,0.15914776231923788,0.2679905421150024,0.20876739085737783,0.2780309780001371,0.2284841683229388
EOS-3-19318,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(-c5cnc(F)cn5)c4)n23)cn1,VDHZOJWKYQHFLL-UHFFFAOYSA-N,3,1,0.483,97,109,447.861,4.323,5,0.396,0.72,1.0,0.8115790555822082,0.8612329518196148,0.7865379343430882,0.7611541361113014,0.8051260194640533
EOS-3-19319,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)nc4)n23)c(Cl)c1,PBTKIORFOIOSIZ-UHFFFAOYSA-N,3,1,0.512,73,665,447.861,4.323,5,0.396,0.72,1.0,0.8884672058118018,0.8753683777671167,0.6772668083064903,0.6831951202796245,0.7810743780412583
EOS-3-19320,c1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5cnccn5)n34)nn2)cc1,SQTPAXCEUNLBFD-UHFFFAOYSA-N,3,1,0.299,86,37,419.412,2.286,6,0.423,0.7,0.69,0.00637379206360085,0.0038208484682338427,0.09857103694057981,0.1423223219793023,0.0627719998629292
EOS-3-19321,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n1,PCVZAQDCVCABBF-UHFFFAOYSA-N,3,1,0.294,9,7,420.44,3.133,6,0.466,0.69,1.0,0.006862106778150915,0.0444966074977726,0.2620536632170516,0.2364813926392982,0.13747344253306834
EOS-3-19322,COc1cc(-c2nnc3cncc(OCc4ncc(C)cn4)n23)ccc1-c1ccnn1C,CNEDZIUYTSGDQE-UHFFFAOYSA-N,3,1,0.433,16,248,428.456,2.878,5,0.407,0.68,1.0,0.3113991501610582,0.11314337605373176,0.2336628743746145,0.11334898224933178,0.19288859570968406
EOS-3-19323,N#Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2F)c1,NECTXUKGOQKSFL-UHFFFAOYSA-N,3,1,0.517,20,846,438.426,3.276,5,0.397,0.67,1.0,0.8731923788636831,0.92515934480159,0.7063943526831609,0.697184908505243,0.8004827462134193
EOS-3-19324,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4scnc4-c4ncccn4)n23)cc1,IPOSGBAOBMYUBV-UHFFFAOYSA-N,3,1,0.296,98,213,439.468,2.562,6,0.407,0.64,1.0,0.09270269344116236,0.10696662326091426,0.021100335823452814,0.03431053389075457,0.063770046604071
EOS-3-19325,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6cscn6)n5)n34)cc2)nn1,UXYPWUDFKYHHNK-UHFFFAOYSA-N,3,1,0.297,98,136,439.468,2.562,6,0.407,0.63,1.0,0.04064149133027208,0.06343807826742512,0.053080666164073746,0.05716708930162429,0.05358183126584881
EOS-3-19326,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)nc1,CIIGIWYAMRNNDJ-UHFFFAOYSA-N,3,1,0.402,46,65,435.81,2.805,5,0.384,0.65,1.0,0.6548471660612707,0.6256082516619834,0.3954835172366527,0.45117709546981016,0.5317790076074292
EOS-3-19328,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)cn1,JWHFDGQVXXHWLA-UHFFFAOYSA-N,3,1,0.478,27,69,452.4,3.638,5,0.388,0.72,0.997,0.48152114317044753,0.6069323555616476,0.7661914879035021,0.6595161400863546,0.6285402816804879
EOS-3-19329,Cc1cc(-c2cnc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cn2)cnn1,HPKPHPIILBRNLJ-UHFFFAOYSA-N,3,1,0.593,84,873,444.886,3.622,5,0.391,0.66,1.0,0.6342008772531013,0.6937238708793092,0.40961037625933794,0.444811870331026,0.5455867486806936
EOS-3-19330,Fc1cc(Cl)ccc1-c1nnc2cncc(Cc3ccc(-c4ccncc4)nc3)n12,OSTKPNOLNVXONP-UHFFFAOYSA-N,3,1,0.42,14,358,416.847,4.632,5,0.427,0.87,1.0,0.40445308751970394,0.6118069357823316,0.8690545541772325,0.9001267904872867,0.6963603419916387
EOS-3-19331,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncn5C)cn4)n23)cc1,AXNBPXJQRPGRLH-UHFFFAOYSA-N,3,1,0.346,74,453,411.429,2.008,5,0.481,0.8,1.0,0.14821636625316975,0.040915632924405455,0.1622061544787883,0.08633746830237818,0.10941890548968541
EOS-3-19332,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnnc(-c5cccnc5F)c4F)n23)cn1,WAMOQKSSIVHKNU-UHFFFAOYSA-N,3,1,0.412,85,290,445.393,2.006,5,0.406,0.59,0.294,0.2367983688575149,0.20701117126996094,0.2729850592831197,0.27803954492495375,0.24870853608388732
EOS-3-19333,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2F)cc1=O,KQZRDTNTKHFCGS-UHFFFAOYSA-N,3,1,0.5,20,846,444.43,2.103,5,0.391,0.65,1.0,0.5040864231375506,0.4235744637105065,0.33548934274552805,0.32072853128640944,0.39596969021999867
EOS-3-19334,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cn(C)nc5C)cnc4C)n23)cn1,HKHJHFKVYCYUOX-UHFFFAOYSA-N,3,1,0.443,92,986,427.472,2.881,5,0.421,0.67,1.0,0.25035124391748337,0.11942293194434926,0.17180111027345624,0.07187649921184291,0.15336294633678296
EOS-3-19336,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)nc1,OFFBXBYYZFUJSW-UHFFFAOYSA-N,3,1,0.272,94,615,430.435,3.162,6,0.415,0.66,1.0,0.13199061065040094,0.09097217462819546,0.28812281543417173,0.3302121170584607,0.21032442944280721
EOS-3-19337,c1cnc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cncnc5)c4)n23)nc1,LXWLACWKZUJOBS-UHFFFAOYSA-N,3,1,0.253,94,495,430.435,3.162,6,0.415,0.66,1.0,0.05435713796175725,0.05939448975395792,0.17180967719827292,0.23362860667534782,0.12979747789733398
EOS-3-19339,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nc2)o1,LRPZVACFMZAQPV-UHFFFAOYSA-N,3,1,0.325,32,723,432.447,4.274,6,0.406,0.71,1.0,0.15915632924405457,0.11010211774381468,0.4604550750462614,0.4033907888424371,0.2832760777191419
EOS-3-19340,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)s1,NSSXCFGCLONJON-UHFFFAOYSA-N,3,1,0.617,35,393,432.484,4.379,5,0.396,0.76,1.0,0.6488845863888698,0.6644678226303886,0.5952213693372627,0.544333835926256,0.6132269035706943
EOS-3-19341,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)nn4)n23)nc1,MPXDUVCLXDGZSZ-UHFFFAOYSA-N,3,1,0.243,99,286,438.419,0.629,6,0.38,0.63,0.802,0.047871975875539714,0.03445617161263793,0.00657083133438421,0.005362894935234048,0.023565468439448976
EOS-3-19342,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)n6)c5)n34)nc2)n1,GEXICBBZBNORLJ-UHFFFAOYSA-N,3,1,0.27,10,664,460.436,3.507,6,0.366,0.71,0.164,0.011394010006168185,0.14420704543896923,0.5365036666438215,0.5407956959769721,0.3082251045164828
EOS-3-19343,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccs4)n23)cc1OC,RGQPQVLDAGJUMC-UHFFFAOYSA-N,3,1,0.58,36,248,433.497,3.719,5,0.386,0.74,1.0,0.217505654170379,0.23212939483243095,0.14076314166266876,0.09203447330546227,0.17060816599273526
EOS-3-19344,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5cscn5)n4)n23)cc1,OGZIKVJODRGMGH-UHFFFAOYSA-N,3,1,0.311,38,882,438.48,3.167,6,0.412,0.62,1.0,0.05966006442327462,0.06344664519224179,0.09857960386539648,0.10425090809403056,0.08148430539373586
EOS-3-19345,Fc1cnccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cn1,AWPXHDJFMVHDQJ-UHFFFAOYSA-N,3,1,0.517,35,76,447.861,4.057,5,0.362,0.77,1.0,0.9099102186279213,0.9348485367692413,0.7350335823452814,0.7509080940305668,0.8326751079432527
EOS-3-19346,c1cc(-c2cncnc2)nc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,MSTUSUXSKFGTHJ-UHFFFAOYSA-N,3,1,0.263,94,165,430.435,3.162,6,0.415,0.64,0.911,0.06146768555959153,0.07080563360975944,0.2916695223082722,0.29585874854362276,0.1799503975053115
EOS-3-19347,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)cc1,JBGPVDUGPKCQAY-UHFFFAOYSA-N,3,1,0.286,64,365,430.435,3.162,6,0.415,0.64,0.425,0.06671064354739223,0.021443012816119527,0.0844184771434446,0.15780275512302103,0.08259372215749435
EOS-3-19348,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)cc1,BLDCJCQLPBEZHM-UHFFFAOYSA-N,3,1,0.269,94,543,430.435,3.162,6,0.415,0.64,0.94,0.05100747035844013,0.034464738537454596,0.21919333835926255,0.2927917894592557,0.14936433417860323
EOS-3-19349,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1,IYDICXHVAFSDEI-UHFFFAOYSA-N,3,1,0.333,64,327,430.435,3.162,6,0.415,0.64,0.758,0.15384483585772052,0.08474402028647797,0.19483757110547598,0.25713624837228427,0.17264066890548968
EOS-3-19350,Cn1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c2)n1,TXBWGAVJFDQWSN-UHFFFAOYSA-N,3,1,0.506,36,728,438.814,2.143,5,0.38,0.68,1.0,0.5475892673565896,0.7085189500376945,0.27713145089438695,0.3207370982112261,0.4634941916249743
EOS-3-19351,Fc1cccc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)c1,SGOOSPMNHMRLHF-UHFFFAOYSA-N,3,1,0.512,34,612,439.813,3.883,5,0.413,0.71,1.0,0.5830820368720444,0.7926632855870057,0.7821773696114043,0.8495133986704133,0.7518590226852169
EOS-3-19352,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)nc1,BNCPEAJQNRAREG-UHFFFAOYSA-N,3,1,0.441,65,65,433.382,2.333,5,0.398,0.65,1.0,0.7313069700500309,0.592916866561579,0.3391645534918786,0.3753598108423,0.5096870502364471
EOS-3-19353,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccc(Cl)nn5)c4)n23)nn1,AMNQRRLEHIMWKJ-UHFFFAOYSA-N,3,1,0.371,53,226,461.833,1.16,5,0.384,0.63,0.71,0.5165170310465356,0.4005208690288534,0.03979336577342197,0.04907991227468988,0.2514777945308752
EOS-3-19354,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)s1,QMKFZHSWLYDLCB-UHFFFAOYSA-N,3,1,0.282,99,259,441.484,2.506,6,0.41,0.62,0.749,0.04505345761085601,0.10024158727983003,0.028339387293537112,0.029290315948187238,0.050731187033102594
EOS-3-19355,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cc(F)ccn4)n23)c(F)c1,WVCHRLWQYWFHSY-UHFFFAOYSA-N,3,1,0.322,25,219,468.431,3.384,6,0.387,0.68,1.0,0.19529161812075937,0.3191864848194092,0.4063720786786375,0.5041635254609006,0.35625342676992666
EOS-3-19356,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)n1,XFBVNVRUSYBJHB-UHFFFAOYSA-N,3,1,0.553,37,125,434.41,2.882,5,0.405,0.65,1.0,0.7839935576725379,0.6742341169213899,0.6050476321019806,0.5796981015694607,0.6607433520663424
EOS-3-19357,CCn1cc(-c2nccnc2-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,CCARDCZAKUIYFD-UHFFFAOYSA-N,3,1,0.282,86,790,446.478,3.589,6,0.395,0.66,1.0,0.07888424371187719,0.03730895757658831,0.17523644712494002,0.1847714344458913,0.11905027071482421
EOS-3-19358,Fc1ccnc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)c1,SYILXFJSKCSVAS-UHFFFAOYSA-N,3,1,0.29,94,165,448.425,3.301,6,0.4,0.65,0.997,0.24474847508738262,0.352666027002947,0.44273867452539234,0.47592694126516344,0.37902002947022134
EOS-3-19359,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)cn1,JRDQTABZEKOLHD-UHFFFAOYSA-N,3,1,0.392,46,128,434.822,3.41,5,0.387,0.67,1.0,0.620099719004866,0.7713916112672196,0.5826108560071277,0.610170653142348,0.6460682098553903
EOS-3-19360,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)cn1,MBLWSKAOEAGABM-UHFFFAOYSA-N,3,1,0.495,16,55,431.406,3.809,5,0.391,0.71,1.0,0.7696610924542526,0.6353574121033514,0.7613169076828181,0.6832036872044411,0.7123847748612159
EOS-3-19361,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ccc(Cl)nc1,IDSBDUWMAMULTL-UHFFFAOYSA-N,3,1,0.527,95,235,432.875,3.257,5,0.38,0.73,0.999,0.4202933315057227,0.43259543554245766,0.2583784524707011,0.2958673154684395,0.35178363374683025
EOS-3-19362,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c[nH]c2=O)cn1,AQFPUKVCNPFAPV-UHFFFAOYSA-N,3,1,0.429,59,910,447.405,3.102,5,0.441,0.66,1.0,0.49386608183126585,0.3577290795695977,0.735042149270098,0.6915992735247756,0.5695591460489342
EOS-3-19363,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(Cl)cc4)n23)cc1,BDJLAZUGANXMEO-UHFFFAOYSA-N,3,1,0.395,98,882,466.896,3.759,6,0.386,0.72,1.0,0.19530018504557603,0.3238468919196765,0.3281132204783771,0.4416421081488589,0.3222256013981221
EOS-3-19364,Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)ccc1F,OYJYVTJBZGNDAU-UHFFFAOYSA-N,3,1,0.512,4,71,431.406,3.809,5,0.418,0.69,1.0,0.77540093208142,0.7085275169625112,0.744996915907066,0.6945120279624426,0.7308593482283599
EOS-3-19365,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,ZLXQDYJRGLCDHP-UHFFFAOYSA-N,3,1,0.541,36,32,419.836,2.609,5,0.427,0.7,1.0,0.529710095264204,0.74992289767665,0.1436330614762525,0.21893633061476253,0.4105505962579672
EOS-3-19366,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)cn2)cc1,PPZXBVAKQIDJRL-UHFFFAOYSA-N,3,1,0.329,69,220,428.459,4.372,6,0.411,0.74,1.0,0.1319991775752176,0.1002501542046467,0.5952299362620793,0.6306627373038174,0.36453550133644025
EOS-3-19367,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nnc2Cl)c1,DMOSSTNWGSMACT-UHFFFAOYSA-N,3,1,0.404,20,658,449.837,2.847,5,0.385,0.66,1.0,0.7432749640189158,0.7755894044273868,0.3209084367075595,0.409970187101638,0.562435748063875
EOS-3-19368,Cn1cc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,VHDPBUQYKJMNPD-UHFFFAOYSA-N,3,1,0.43,92,466,433.863,2.652,5,0.402,0.65,1.0,0.45044033993557675,0.39077170858748544,0.31732746213419233,0.33674011376876156,0.373819906106504
EOS-3-19369,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)nc(C)n2)cn1,JTIDZPHXWHPGIF-UHFFFAOYSA-N,3,1,0.583,44,500,457.925,4.535,5,0.369,0.79,1.0,0.757761633883901,0.6891234322527585,0.4915530121307655,0.47593550818998015,0.6035933966143513
EOS-3-19370,COc1ccccc1-c1ncncc1-c1nnc2cncc(-c3cncc(-c4cncnn4)c3)n12,ZVCRZJLPCJIBMI-UHFFFAOYSA-N,3,1,0.364,94,515,460.461,3.171,6,0.378,0.68,0.445,0.19820437255842643,0.0312692755808375,0.3354979096703447,0.30198409978754026,0.21673891439928722
EOS-3-19371,Cc1csc(-n2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,RTBZIKZIMWDNOB-UHFFFAOYSA-N,3,1,0.458,89,398,473.522,2.608,6,0.382,0.75,0.999,0.2607771914193681,0.1297632101980673,0.009706325817284627,0.007838736207251045,0.10202136591049278
EOS-3-19372,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ncc(C)nn5)cn4)n23)cc1,MLZHHRDEWNBFLG-UHFFFAOYSA-N,3,1,0.529,4,677,428.431,3.373,5,0.42,0.66,1.0,0.679648413405524,0.7037728736892606,0.3544222465903639,0.31766157220204233,0.5138762764717977
EOS-3-19373,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1,QPRZJWPJNAEHOE-UHFFFAOYSA-N,3,1,0.289,99,968,422.416,1.829,6,0.45,0.65,0.999,0.10252038928106368,0.07777911041052704,0.06067952847645809,0.058614899595641146,0.07489848194092248
EOS-3-19374,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nn2)cc1,DSPZUFYPTJIEEF-UHFFFAOYSA-N,3,1,0.338,30,541,434.488,4.434,6,0.405,0.77,0.989,0.07660544171064355,0.14421561236378588,0.33917312041669523,0.39729113837296964,0.2393213282160236
EOS-3-19375,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cc1,MBRQFSQVWPYCCP-UHFFFAOYSA-N,3,1,0.329,42,369,421.424,3.304,6,0.426,0.72,1.0,0.20642005345761086,0.09714892742101296,0.32091700363237613,0.30848639572339115,0.2332430950585978
EOS-3-19376,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)n(CC#N)n1,MKRSWVMKEPIMIG-UHFFFAOYSA-N,3,1,0.489,16,256,429.469,2.917,5,0.404,0.68,1.0,0.28490165170310466,0.2221146597217463,0.06656500582550888,0.07188506613665958,0.16136659584675483
EOS-3-19377,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2C)n1,HSUARQYWZYZHBI-UHFFFAOYSA-N,3,1,0.446,7,690,445.874,3.283,5,0.401,0.65,1.0,0.4766893975738469,0.5218627921321363,0.14991261736686998,0.1656072236310054,0.3285180076759646
EOS-3-19378,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,PNTGQALYQMZQAI-UHFFFAOYSA-N,3,1,0.466,72,482,433.863,2.652,5,0.402,0.64,1.0,0.5245785072990199,0.572698923994243,0.17828627235967376,0.2218148173531629,0.3743446302515249
EOS-3-19379,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)nc1,AZQNLXBPPFYCDE-UHFFFAOYSA-N,3,1,0.533,65,262,428.431,3.107,5,0.38,0.74,1.0,0.8574292372010143,0.8832499485984511,0.34272839421561235,0.28987046809677197,0.5933195120279624
EOS-3-19380,Fc1ccc(-c2c[nH]c(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)nc1,RUZQYLPLZGVKRE-UHFFFAOYSA-N,3,1,0.366,51,196,422.811,3.343,5,0.462,0.65,1.0,0.4766979644986636,0.38141662668768417,0.5163970940991022,0.5732900418065932,0.48695043177301073
EOS-3-19381,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cnn2)o1,TYOGDYJKZLCRCH-UHFFFAOYSA-N,3,1,0.299,30,541,433.435,3.669,6,0.41,0.66,0.974,0.11255225824138167,0.10360838873278048,0.19128229730655882,0.23648995956411487,0.16098322596120895
EOS-3-19382,Cn1cc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccnc(F)c6)nc5)n34)c2)nn1,IOLFCCQDSWKXDQ-UHFFFAOYSA-N,3,1,0.317,42,106,450.441,3.245,6,0.376,0.69,1.0,0.09508429854019601,0.1635083270509218,0.3807055719279008,0.39428414776231924,0.25839558632033444
EOS-3-19383,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)nc2)cn1,RXIHAXSGHUYMDP-UHFFFAOYSA-N,3,1,0.31,86,989,450.441,3.245,6,0.376,0.69,1.0,0.08532657117401138,0.19308135151805908,0.43533685148379136,0.4099787540264547,0.28093088205057914
EOS-3-19384,Cn1cnnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1F,PUVFBSLRZOHSBR-UHFFFAOYSA-N,3,1,0.5,20,279,451.853,2.791,5,0.387,0.67,1.0,0.7158608046055788,0.762636214104585,0.2729936262079364,0.3495648002193133,0.5252638612843534
EOS-3-19385,Clc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccn2)c1,OWJPOGQCYIVBFW-UHFFFAOYSA-N,3,1,0.612,11,275,428.883,4.523,5,0.395,0.76,1.0,0.8009560688095402,0.8243609074086766,0.6343636488246179,0.6916078404495922,0.7378221163731067
EOS-3-19386,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnnc(F)c5)ccn4)n23)cc1F,SSKZBKVBMCVXCY-UHFFFAOYSA-N,3,1,0.49,4,788,474.431,2.86,5,0.399,0.69,1.0,0.5065622644095675,0.3767390857377836,0.6169984922212323,0.5005654170379,0.5002163148516209
EOS-3-19387,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n[nH]2)nc1,JSTCHONRVVPPNJ-UHFFFAOYSA-N,3,1,0.549,73,82,422.811,3.343,5,0.462,0.72,1.0,0.7577702008087177,0.8280275512302104,0.5126276471797684,0.595032896991296,0.6733645740524982
EOS-3-19388,Cc1cncc(-c2cnc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2Cl)c1,FXDAFXHPCGRLEY-UHFFFAOYSA-N,3,1,0.494,18,393,443.898,4.227,5,0.388,0.71,1.0,0.7004660407100267,0.6989668288671098,0.6079432526900144,0.6070865602083476,0.6536156706188746
EOS-3-19389,Fc1ccc(-c2nnc3cncc(CCCc4ccc(-c5cncnn5)nn4)n23)c(Cl)c1,VJQRUXYCZHFLGO-UHFFFAOYSA-N,3,1,0.394,22,487,447.865,3.401,5,0.389,0.67,1.0,0.41331985470495514,0.6069409224864643,0.23367144129943115,0.4195223082722226,0.4183636316907683
EOS-3-19390,CCc1nc(-c2nnc3cncc(COc4cccc(F)c4)n23)ccc1-c1cncn1C,OQEBPOXMPADIKF-UHFFFAOYSA-N,3,1,0.373,14,920,429.459,3.867,5,0.408,0.73,0.996,0.3804399972585841,0.4897796586937153,0.4129686107874717,0.38826159961620177,0.41786246658899323
EOS-3-19391,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(C(F)F)nc5)n34)nc2)n1C,VTLRAOIMLOEOLN-UHFFFAOYSA-N,3,1,0.325,50,489,420.387,2.685,5,0.436,0.66,1.0,0.15916489616887122,0.2070197381947776,0.13454355424576794,0.11566205194983209,0.15409756013981218
EOS-3-19392,Cc1ccc(-c2ncnc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)n2)nn1,WGHIVWCDPIEVHA-UHFFFAOYSA-N,3,1,0.318,94,136,463.44,3.005,6,0.384,0.67,0.351,0.2580871770269344,0.34316530738126244,0.14653724898910286,0.20445822767459393,0.23806199026797337
EOS-3-19393,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)c(F)c3)n12,AASUKPUGWWNGSF-UHFFFAOYSA-N,3,1,0.558,35,619,431.406,3.543,5,0.406,0.66,1.0,0.9436467685559592,0.8832585155232677,0.7844561716126379,0.7688129668974025,0.8450436056473168
EOS-3-19395,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)nc1,RKNFNNPRORHBIC-UHFFFAOYSA-N,3,1,0.287,39,972,468.431,3.384,6,0.387,0.69,0.973,0.14266499897196902,0.23714104585018161,0.43153313686519085,0.5073675553423344,0.3296766842574189
EOS-3-19397,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1nnco1,OYLKZUBACCXJCM-UHFFFAOYSA-N,3,1,0.556,34,32,423.795,3.608,5,0.422,0.73,1.0,0.8461465972174628,0.9138938386676718,0.5229165238845864,0.6070951271331643,0.7225130217257213
EOS-3-19398,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c(F)c1,RHGNDQPOEVZNAA-UHFFFAOYSA-N,3,1,0.523,4,31,435.85,3.958,5,0.389,0.74,1.0,0.7004746076348434,0.7269806730176136,0.6687941196628059,0.6712613940100062,0.6918776985813173
EOS-3-19399,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1,MFGUOSUBEBLWAC-UHFFFAOYSA-N,3,1,0.529,92,36,432.875,3.523,5,0.419,0.69,1.0,0.26877869919813585,0.3953378795147694,0.44274724145020905,0.41319991775752174,0.380015934480159
EOS-3-19400,Cn1nc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)cc1Cl,RBZBEBWEEMNHRV-UHFFFAOYSA-N,3,1,0.443,11,503,431.887,3.862,5,0.406,0.73,1.0,0.44102528956205883,0.48978822561853197,0.3355064765951614,0.42906586251799056,0.4238464635734357
EOS-3-19401,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5nnccc5Cl)n34)nc2)c1,XMMRDCXWCSFANM-UHFFFAOYSA-N,3,1,0.389,46,119,430.859,3.579,5,0.416,0.7,1.0,0.47150640805976285,0.5308666301144541,0.4096189431841546,0.44482043725584264,0.4642031046535536
EOS-3-19402,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)c4)n23)cc1,SMLPGBCYEWYBDT-UHFFFAOYSA-N,3,1,0.523,89,637,481.491,3.859,6,0.376,0.89,1.0,0.6002587211294633,0.24258961003358234,0.3617469673086149,0.36889178260571587,0.3933717702693441
EOS-3-19403,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ncn2)nn1,FASNLUNROLEUBT-UHFFFAOYSA-N,3,1,0.484,4,463,446.421,3.863,5,0.387,0.69,1.0,0.6613151942978548,0.6550699061065041,0.6933983277362757,0.6008070043177302,0.6526476081145912
EOS-3-19404,Cc1cnc(-c2cc(C#N)cc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cn1,CDHRDIBLWLHRRZ-UHFFFAOYSA-N,3,1,0.658,11,309,433.475,4.05,5,0.398,0.7,1.0,0.9170207662257556,0.7499314646014666,0.6635340278253719,0.6008155712425468,0.7328254574737852
EOS-3-19405,COc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)nc1,XDCPHRFRVMWHRF-UHFFFAOYSA-N,3,1,0.524,13,145,448.845,4.842,5,0.38,0.8,1.0,0.8343670755945446,0.8086748680693578,0.8301350147351106,0.7990713453498732,0.8180620759372216
EOS-3-19406,Cn1nc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1-c1ccccc1,UONTWLAPKOTNIU-UHFFFAOYSA-N,3,1,0.452,95,266,449.877,4.001,5,0.389,0.73,0.998,0.45727674593927764,0.45889589472962783,0.48137550544856417,0.5764341032143102,0.493495562332945
EOS-3-19407,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4F)n23)n1,SYRRPGYUZUIWEX-UHFFFAOYSA-N,3,1,0.443,16,969,419.445,3.731,5,0.429,0.78,1.0,0.6257453224590501,0.6550784730313207,0.43154170379000756,0.40662908642313755,0.5297486464258789
EOS-3-19408,FC(F)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnn5)n4)n23)cc1,IJMWSPSOOLIAGT-UHFFFAOYSA-N,3,1,0.467,72,51,432.394,3.555,5,0.401,0.66,0.999,0.8343756425193612,0.7362672195188815,0.6467856898087863,0.5950414639161127,0.7031175039407855
EOS-3-19409,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccncc5)n4)n23)cc1Cl,OXFHMBUXDSYYIJ-UHFFFAOYSA-N,3,1,0.556,97,539,450.289,4.529,5,0.389,0.78,1.0,0.792269207045439,0.9232660544171064,0.7297392228085806,0.7829655266945378,0.8070600027414159
EOS-3-19410,Clc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccc(Cl)cn4)n23)cc1,YGOJPTRGWXKJLF-UHFFFAOYSA-N,3,1,0.556,24,32,450.289,4.529,5,0.389,0.78,1.0,0.8643513124528819,0.9457199643615928,0.5952385031868961,0.7270577753409636,0.7830918888355837
EOS-3-19412,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccnc4F)n23)ccc1F,SKZMBZVTXPACHQ-UHFFFAOYSA-N,3,1,0.489,26,911,433.422,3.927,5,0.378,0.74,0.996,0.7867863751627716,0.5727074909190597,0.7544976355287506,0.6945205948872593,0.7021280241244603
EOS-3-19413,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cc5F)nc4)n23)cn1,LFCSVSLVIXXHLM-UHFFFAOYSA-N,3,1,0.35,42,693,467.443,3.989,6,0.387,0.74,1.0,0.20365293674182716,0.3526745939277637,0.6343722157494346,0.6454749503118361,0.4590436741827154
EOS-3-19414,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncc(C)c5C)cc4Cl)n23)cc1,PGYASCRXJDFZCX-UHFFFAOYSA-N,3,1,0.353,62,124,469.936,4.545,5,0.415,0.78,1.0,0.27152011513946955,0.28330820368720444,0.5630268658762251,0.48201802480981426,0.3999683023781784
EOS-3-19415,c1ncc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)cn2)cn1,QCRKZEAZHAMRBN-UHFFFAOYSA-N,3,1,0.253,86,165,421.384,2.15,6,0.412,0.7,1.0,0.1345264203961346,0.09098074155301213,0.11453121787403193,0.12685902268521693,0.11672435062709889
EOS-3-19416,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cnccn4)n23)cc1Cl,SAORBYTVELSTKY-UHFFFAOYSA-N,3,1,0.549,73,401,433.834,4.015,5,0.413,0.68,1.0,0.7640069220752519,0.8351123980535947,0.7272205469124803,0.7586183263655678,0.7712395483517236
EOS-3-19417,N#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)c(F)c1,JLWMJVASSXWSSL-UHFFFAOYSA-N,3,1,0.482,55,242,442.389,3.372,5,0.407,0.65,1.0,0.8938129668974025,0.8753769446919334,0.8072698923994243,0.7735333424713865,0.8374982866150367
EOS-3-19418,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,SFRAHDKHYFLXEI-UHFFFAOYSA-N,3,1,0.529,36,728,420.824,2.004,5,0.42,0.7,1.0,0.5663593996299089,0.7672109519566856,0.08927592351449523,0.16048420259063806,0.39583261942293196
EOS-3-19419,Cc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3ccccc3F)n12,AQMFFIWPEORAIN-UHFFFAOYSA-N,3,1,0.654,91,309,428.471,4.261,5,0.404,0.75,1.0,0.7313155369748475,0.597560139812213,0.7399081625659654,0.6740970461243232,0.6857202213693373
EOS-3-19420,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccco5)nc4)n23)cn1,JWJWOAQWLRXCMQ-UHFFFAOYSA-N,3,1,0.312,70,191,420.436,3.909,6,0.426,0.76,1.0,0.18144746761702418,0.051684257418956894,0.3355150435199781,0.31767013912685904,0.22157922692070453
EOS-3-19421,c1cncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1,JTSFULXWFPEGKO-UHFFFAOYSA-N,3,1,0.263,64,174,418.42,3.965,6,0.423,0.8,1.0,0.16741484476732232,0.06345521211705846,0.37703036118155026,0.41953087519703924,0.2568578233157426
EOS-3-19422,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)c1,CVAWUASXIFUATG-UHFFFAOYSA-N,3,1,0.343,42,762,418.42,3.965,6,0.423,0.8,1.0,0.20366150366664382,0.14058323624151875,0.4883575491741485,0.4759440751147968,0.32713659104927695
EOS-3-19423,FC(F)c1ncc(-c2nnc3cncc(OCc4ncc(-c5cscn5)cn4)n23)cn1,GRRVQLJBLNSNPT-UHFFFAOYSA-N,3,1,0.425,51,48,439.411,3.011,5,0.393,0.68,1.0,0.5245870742238367,0.5308751970392708,0.25148207799328354,0.18736721266534165,0.37357789048043316
EOS-3-19424,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ncsc5-c5ccncc5)n34)cn2)n1,YIVRTMALKPVQQC-UHFFFAOYSA-N,3,1,0.303,86,790,439.464,3.73,6,0.404,0.68,1.0,0.16742341169213898,0.1714927009800562,0.0914947570420122,0.10425947501884723,0.13366758618326366
EOS-3-19425,O=C(NCc1ccc(F)c(F)c1)c1ccc(-c2nnc3cncc(-c4ccncc4CO)n23)cc1,RNICPXHBSTVOMP-UHFFFAOYSA-N,3,1,0.48,62,3,472.455,3.554,5,0.392,0.79,1.0,0.539767664998972,0.44580563360975944,0.8745973545336166,0.8074754985950243,0.6669115379343431
EOS-3-19426,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5conn5)nc4)n23)cc1,YMRAPXIZIFKTKY-UHFFFAOYSA-N,3,1,0.316,64,449,437.398,3.499,6,0.408,0.66,1.0,0.28219450346103764,0.2833167706120211,0.36175553423343154,0.4511856623946268,0.3446131176752793
EOS-3-19427,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5F)c4)n23)nn1,LDXZQZSPCKQDES-UHFFFAOYSA-N,3,1,0.511,72,132,431.406,3.543,5,0.406,0.68,1.0,0.7126653416489617,0.7316667808923308,0.6343807826742512,0.6800681927215406,0.689695274484271
EOS-3-19428,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncn(C)n6)s5)n34)cc2)n1,GEZRJEHPPZQHQI-UHFFFAOYSA-N,3,1,0.338,98,882,440.496,3.111,6,0.415,0.64,1.0,0.09271126036597903,0.1519858131725036,0.07750496881639367,0.06993180727845932,0.09803346240833391
EOS-3-19429,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)s4)n23)cc1,JLXNDYVRDAFXIO-UHFFFAOYSA-N,3,1,0.484,89,656,468.502,3.142,5,0.361,0.79,1.0,0.42962271263107393,0.22212322664656295,0.2771400178192036,0.17930573641285724,0.27704792337742445
EOS-3-19430,Fc1ncccc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)n1,BYKKTJCRQSZNDW-UHFFFAOYSA-N,3,1,0.394,46,128,434.822,3.41,5,0.387,0.69,1.0,0.6767013912685902,0.8127098896580084,0.435345418408608,0.4941230895757659,0.6047199472277431
EOS-3-19432,CCn1nc(-c2cccnc2)nc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cn3)n12,IBBWMCFXADTKTK-UHFFFAOYSA-N,3,1,0.267,99,286,450.47,2.322,6,0.388,0.65,1.0,0.0510160372832568,0.04450517442258927,0.010785758344184772,0.010648687547118086,0.029238914399287233
EOS-3-19433,COc1cc(-c2nnc3cncc(OCc4ncc(C)nc4C)n23)ccc1-c1ccccn1,PXFXQSIRHKFDDE-UHFFFAOYSA-N,3,1,0.505,4,61,439.479,3.848,5,0.393,0.7,1.0,0.43382050579124115,0.2023850318689603,0.2514906449181002,0.14726543759851962,0.2587404050442053
EOS-3-19434,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C(F)F)nn5)ncn4)n23)cn1,KCKMGMKOMSNQAL-UHFFFAOYSA-N,3,1,0.457,27,52,447.409,3.258,5,0.386,0.67,1.0,0.5773507641696937,0.6069494894112809,0.5054656980330341,0.37876944691933384,0.5171338496333356
EOS-3-19435,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)nn1,UBWUBGRKMHDRIJ-UHFFFAOYSA-N,3,1,0.419,54,411,446.858,3.279,5,0.362,0.7,0.997,0.6257538893838668,0.49458570351586595,0.3391816873415119,0.29280035638407237,0.4380804091563293
EOS-3-19436,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)nc2)nn1,FSDVEDNKBFWTIB-UHFFFAOYSA-N,3,1,0.248,99,286,436.443,1.839,6,0.406,0.61,0.999,0.02870776506065383,0.016097251730518812,0.058632033445274484,0.0557535467068741,0.039797649235830304
EOS-3-19437,Cn1nnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)n1,IKRZSWCKQQSJOT-UHFFFAOYSA-N,3,1,0.268,99,286,435.415,1.291,6,0.394,0.65,1.0,0.037583099170721675,0.019292714687135906,0.014066890548968543,0.020500651086286067,0.02286083887327805
EOS-3-19438,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)nn2)cc1,WOOGAUGNWKYBMQ-UHFFFAOYSA-N,3,1,0.333,9,498,430.435,3.162,6,0.415,0.63,1.0,0.07889281063669386,0.08131725035981084,0.23000479747789734,0.3019926667123569,0.17305188129668975
EOS-3-19439,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)s1,OOYRKNQDMCGGLY-UHFFFAOYSA-N,3,1,0.571,4,610,423.889,3.881,5,0.426,0.74,1.0,0.4815297100952642,0.64993831814132,0.28813138235898844,0.3721986155849496,0.44794950654513055
EOS-3-19440,Cc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cc(C)n(C)n1,HWWOSSWCPDPIFX-UHFFFAOYSA-N,3,1,0.573,44,294,447.449,4.061,5,0.404,0.75,1.0,0.5634980467411418,0.4809985607566308,0.6437786991981358,0.5539801932698238,0.560563874991433
EOS-3-19441,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)cn1,SLFPWSLMZFQHFL-UHFFFAOYSA-N,3,1,0.327,62,204,467.92,4.461,6,0.409,0.75,1.0,0.2985658967856898,0.2525358097457337,0.33919025426632854,0.4820265917346309,0.3430796381330957
EOS-3-19442,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nc2)no1,TYUBIRFGJQENQN-UHFFFAOYSA-N,3,1,0.333,86,812,424.384,2.657,6,0.411,0.68,1.0,0.1982129394832431,0.14422417928860257,0.06270988965800836,0.058623466520457815,0.11594261873757797
EOS-3-19443,COc1cc(-c2cnn(C)n2)ccc1-c1cncc2nnc(-c3ccc(C(C)(C)O)nc3)n12,DDYWIFDYKNXGKQ-UHFFFAOYSA-N,3,1,0.33,82,336,442.483,2.885,5,0.442,0.61,0.53,0.26078575834418477,0.10361695565759715,0.4983808512096498,0.2189448975395792,0.2704321156877527
EOS-3-19444,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cn5)n34)nc2)n1C,XPPZMGFGUIFAED-UHFFFAOYSA-N,3,1,0.276,99,652,449.482,2.753,6,0.403,0.62,0.999,0.056173326022890824,0.02607771914193681,0.07521759989034336,0.06483448701254198,0.05557578301692824
EOS-3-19445,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4ccncn4)o3)n12,OQVVGENTSGKUFF-UHFFFAOYSA-N,3,1,0.523,4,10,423.795,3.608,5,0.422,0.71,1.0,0.8166078404495922,0.8986618463436364,0.5921544102528956,0.630671304228634,0.7345238503186895
EOS-3-19446,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1-c1cccnn1,KUBMVPTUUBROKE-UHFFFAOYSA-N,3,1,0.465,54,915,433.834,4.015,5,0.413,0.66,1.0,0.8370313892125283,0.8165907065999589,0.770603454184086,0.8055308066616408,0.8074390891645535
EOS-3-19447,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)cn1,KBBMQWZFDQIICH-UHFFFAOYSA-N,3,1,0.643,11,159,444.445,4.456,5,0.385,0.75,1.0,0.8319769035706943,0.812718456582825,0.8206342951134261,0.7990799122746899,0.8161023918854089
EOS-3-19448,c1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnccn6)nn5)n34)cc2)nc1,YZQSJOVIWFTQIT-UHFFFAOYSA-N,3,1,0.347,42,608,419.412,2.286,6,0.423,0.71,1.0,0.0022788020012336372,0.01212219861558495,0.1286752107463505,0.1472740045233363,0.07258755397162635
EOS-3-19449,Clc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)cn1,ZJDDOUSJLGZYFX-UHFFFAOYSA-N,3,1,0.433,11,503,429.871,3.918,5,0.404,0.69,1.0,0.5948358577205126,0.6398379137824687,0.40638064560345416,0.4910646974162155,0.5330297786306628
EOS-3-19450,Cc1cnc(-c2ccnc(NCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)nn1,AZALVHLTSMEYRD-UHFFFAOYSA-N,3,1,0.341,85,290,446.425,3.291,5,0.419,0.62,1.0,0.10506476595161401,0.02846789116578713,0.3544308135151806,0.2451339867041327,0.1832743643341786
EOS-3-19451,COCCn1cc(-c2cncc(-c3nnc4cncc(Cc5ccc(Cl)nc5)n34)c2)cn1,RTDLLDKGFCQGBM-UHFFFAOYSA-N,3,1,0.311,85,36,446.902,3.335,5,0.354,0.76,1.0,0.07465218285244328,0.1264649441436502,0.3880902611198684,0.3942927146871359,0.24587502570077444
EOS-3-19452,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cn5)n34)cn2)n1,GCQVRIFSGJFPAI-UHFFFAOYSA-N,3,1,0.31,86,812,436.439,3.007,6,0.41,0.64,1.0,0.16198341443355493,0.0909893084778288,0.09150332396682886,0.07586868617641011,0.10508618326365568
EOS-3-19454,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cn(C)nn5)c4)n23)cn1,BHFNWTGRMIFTQW-UHFFFAOYSA-N,3,1,0.282,32,727,445.49,4.019,6,0.404,0.69,1.0,0.04209786854910561,0.04451374134740593,0.33195120279624424,0.3147488177643753,0.18332790761428275
EOS-3-19455,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)c2)cn1,GRVBTRGHXWHBPX-UHFFFAOYSA-N,3,1,0.327,9,764,445.49,4.019,6,0.404,0.69,1.0,0.04506202453567267,0.0284764580906038,0.4168237269549722,0.38182783907888423,0.2180475121650332
EOS-3-19456,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)c2)nn1,SVCAIMFUDZOBDU-UHFFFAOYSA-N,3,1,0.276,70,899,435.455,2.444,6,0.414,0.63,1.0,0.05966863134809129,0.0445223082722226,0.17829483928449044,0.1523284901651703,0.10870356726749365
EOS-3-19457,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)n2)o1,ZTBJJVXBFMJPJX-UHFFFAOYSA-N,3,1,0.511,4,268,444.842,3.649,5,0.398,0.7,0.987,0.6229182372695498,0.8007932972380234,0.4604636419710781,0.46992152696867934,0.5885241758618327
EOS-3-19458,Cn1nncc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)n1,DESFHOIILMXZNS-UHFFFAOYSA-N,3,1,0.283,76,541,432.451,3.106,6,0.418,0.65,0.472,0.020971831951202797,0.01337296963881845,0.12868377767116715,0.1821328216023576,0.0862903502158865
EOS-3-19459,Cc1cc(-c2nnc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)nn2)nn1C,OYHPJZOBVDGVSL-UHFFFAOYSA-N,3,1,0.266,8,342,448.454,2.204,6,0.394,0.63,0.976,0.03916798026180522,0.021451579740936193,0.016722637242135564,0.02643752998423686,0.02594493180727846
EOS-3-19460,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cc5F)c4)n23)nc1,HPMHRZRVAHSFKI-UHFFFAOYSA-N,3,1,0.411,46,915,451.824,4.154,5,0.396,0.7,1.0,0.8343842094441779,0.7755979713522034,0.8171903913371257,0.8459923925707628,0.8182912411760676
EOS-3-19461,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)nn2)n1,WPKMIZHRPGURKJ-UHFFFAOYSA-N,3,1,0.294,70,813,435.455,2.538,6,0.415,0.65,0.967,0.00037694469193338357,0.0112569392091015,0.10108971283668014,0.09006408059762867,0.050696919333835924
EOS-3-19462,COc1ncc(-c2cnc(C)n2C)cc1COc1cncc2nnc(-c3ccc(F)cn3)n12,AUYICNIACXMGJM-UHFFFAOYSA-N,3,1,0.381,46,168,446.446,3.017,5,0.392,0.66,1.0,0.57453224590501,0.37176170241929957,0.2881399492838051,0.16826297032417242,0.3506742169830718
EOS-3-19464,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nn2)cc1,MMYKSQCNBFGCBG-UHFFFAOYSA-N,3,1,0.311,30,37,417.436,3.496,6,0.433,0.76,1.0,0.005020217942567336,0.019301281611952572,0.2730021931327531,0.32705948872592694,0.15609579535329998
EOS-3-19465,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cc(F)ccc5F)nc4)n23)cc1F,IGOJCEPHCUXSLO-UHFFFAOYSA-N,3,1,0.347,45,533,463.375,4.761,5,0.401,0.81,1.0,0.4178688917826057,0.4500890960180933,0.935062709889658,0.9001353574121034,0.6757890137756151
EOS-3-19467,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)cc1,IWAWEDPGELDKPO-UHFFFAOYSA-N,3,1,0.538,36,447,418.396,1.532,5,0.404,0.73,1.0,0.7158693715303954,0.5446765129189226,0.05308923308889041,0.06484305393735865,0.34461954286889174
EOS-3-19468,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n2)nc1,WMKWHZIDHIWUAT-UHFFFAOYSA-N,3,1,0.3,39,527,454.404,3.169,6,0.399,0.64,0.933,0.02412446028373655,0.11943149886916593,0.27301076005756975,0.40998732095127133,0.20663851004043587
EOS-3-19469,Cc1ncc(-c2nnc3cncc(Cc4cnc(F)c(-c5ccc(F)nc5)n4)n23)cn1,APNPWARGCWJNTQ-UHFFFAOYSA-N,3,1,0.318,85,674,417.383,2.611,5,0.411,0.73,1.0,0.357437804125831,0.3379394832430951,0.30608765677472416,0.3176787060516757,0.3297859125488315
EOS-3-19470,Cc1cc(-c2ccnc(-c3nnc4cncc(COc5ccc(F)c(F)c5)n34)c2)ncn1,KBZOADVUJYAIOP-UHFFFAOYSA-N,3,1,0.375,44,920,431.406,3.809,5,0.418,0.67,1.0,0.5245956411486533,0.517202385031869,0.7662000548283189,0.7164776231923788,0.631118926050305
EOS-3-19471,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)nc1,PBKAFJGOYRRXIP-UHFFFAOYSA-N,3,1,0.296,10,37,420.44,2.834,6,0.432,0.71,1.0,0.0017219518881502296,0.007281886094167638,0.1879668974025084,0.2071825097662943,0.10103831128778015
EOS-3-19472,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)nn2C)n1,TWABRRCRWQTUFI-UHFFFAOYSA-N,3,1,0.453,95,493,430.447,3.051,5,0.408,0.7,1.0,0.38948666986498526,0.28854259475018845,0.27714858474402027,0.24242683846206567,0.2994011719553149
EOS-3-19473,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cn(C)nn5)cn4)n23)c(F)c1,GNJRVVZDOBIQCV-UHFFFAOYSA-N,3,1,0.466,51,946,417.408,2.403,5,0.429,0.75,1.0,0.40027242820917003,0.5172109519566856,0.24775546569803303,0.21895346446439587,0.3460480775820711
EOS-3-19474,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccc(F)c(Cl)c5)n4)n23)cc1,YRAGCORXSKMQPQ-UHFFFAOYSA-N,3,1,0.542,43,210,446.873,4.928,5,0.381,0.83,1.0,0.9463967514221096,0.9511171269960935,0.8206428620382428,0.8282160235761771,0.8865931910081557
EOS-3-19475,COc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)cn1,DNZQSCNZEHBLJS-UHFFFAOYSA-N,3,1,0.36,9,220,446.474,4.314,6,0.42,0.7,1.0,0.17275203892810637,0.10362552258241382,0.6228925364950997,0.5505791241176068,0.36246230553080666
EOS-3-19477,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)c(F)c4)n23)nn1,IYPPUEWHJXBUBU-UHFFFAOYSA-N,3,1,0.483,36,706,454.372,3.515,5,0.384,0.7,0.999,0.5890446165444452,0.7585583578918511,0.7350507161949147,0.6539048043314372,0.6841396237406621
EOS-3-19478,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnc(C)cn5)n4)n23)cc1,CPARFOZPHBGWMZ-UHFFFAOYSA-N,3,1,0.394,14,81,427.899,4.504,5,0.42,0.74,1.0,0.34598382564594615,0.3814251936125009,0.46047220889589474,0.49107326434103216,0.41973862312384347
EOS-3-19479,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(F)cn2)n1C,QZKBXCRLBMSYJT-UHFFFAOYSA-N,3,1,0.511,89,731,458.457,2.712,5,0.415,0.61,1.0,0.6945377287368926,0.3238554588444932,0.37317524501404975,0.23067301761359743,0.4055603625522582
EOS-3-19480,C#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ncc4Cl)n23)cn1,OLZDQPHGGFMQSY-UHFFFAOYSA-N,3,1,0.434,55,283,441.842,2.647,5,0.379,0.67,1.0,0.7341768898636145,0.7841134946199713,0.49156157905558223,0.4820351586594476,0.6229717805496539
EOS-3-19481,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)nc2)n1C,KOHRSXVHDFDNQK-UHFFFAOYSA-N,3,1,0.265,70,165,446.478,3.414,6,0.405,0.65,0.876,0.06882667397710918,0.03731752450140498,0.230013364402714,0.19017716400520868,0.13158368172160922
EOS-3-19482,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)cn5)n34)cc2)nn1,WUEUNNKCRDWFJV-UHFFFAOYSA-N,3,1,0.291,38,193,446.478,3.414,6,0.405,0.65,1.0,0.026300459187170173,0.05940305667877459,0.277157151668837,0.2542577616338839,0.15427960729216642
EOS-3-19483,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5cscn5)ncc4F)n23)c(F)c1,RNPPCUVSXABHGL-UHFFFAOYSA-N,3,1,0.511,73,10,441.398,3.701,5,0.411,0.72,1.0,0.7979919128229731,0.8488794462339798,0.5794496607497772,0.6367795216229183,0.7157751353574121
EOS-3-19484,Cn1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)n1,UWKNEOHTKOBDES-UHFFFAOYSA-N,3,1,0.489,92,185,436.386,2.288,5,0.394,0.68,1.0,0.44792166403947636,0.40976458090603796,0.36176410115824825,0.2839592899732712,0.3758524090192584
EOS-3-19485,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)cn1,FGGGYPCEVYJXMN-UHFFFAOYSA-N,3,1,0.295,98,642,449.478,3.921,6,0.398,0.68,1.0,0.07084846823384278,0.07081420053457611,0.18478856829552465,0.154915701459804,0.12034173463093688
EOS-3-19486,Cn1ccnc1-c1cc(F)ccc1-c1nnc2cncc(-c3cn(-c4cncnn4)nn3)n12,MVVRBYGFPUFMGR-UHFFFAOYSA-N,3,1,0.327,99,312,440.406,1.764,6,0.402,0.62,0.996,0.008575491741484477,0.15587519703927077,0.12585669248166678,0.1821413885271743,0.1181121924473991
EOS-3-19487,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,DNDSIEUIMNLJTH-UHFFFAOYSA-N,3,1,0.352,93,774,444.502,4.799,6,0.38,0.83,1.0,0.08533513809882805,0.09715749434582963,0.22620964978411348,0.36261222671509835,0.1928286272359674
EOS-3-19488,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1Cl,UIXRYUTWYJTDDI-UHFFFAOYSA-N,3,1,0.482,51,196,453.293,3.868,5,0.399,0.68,1.0,0.7069426358714276,0.6694623397985059,0.4604807758207114,0.537368926050305,0.5935636693852375
EOS-3-19489,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)nc1,BGLXLOLIYKKHCV-UHFFFAOYSA-N,3,1,0.26,70,652,435.455,2.444,6,0.414,0.62,0.999,0.07085703515865945,0.023704680967719827,0.08442704406826125,0.07388115961894319,0.06321747995339592
EOS-3-19490,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5c(C)nn(C)c5C)c4)n23)cn1,BDSNKBOFVMTPPB-UHFFFAOYSA-N,3,1,0.512,89,205,425.496,4.091,5,0.422,0.79,1.0,0.34343088205057914,0.2118343499417449,0.32812178740319375,0.20719107669111095,0.2726445240216572
EOS-3-19491,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1,OCSKSMHEMQDGFC-UHFFFAOYSA-N,3,1,0.351,94,515,447.437,3.906,6,0.4,0.67,0.998,0.2822030703858543,0.39534644643958605,0.5466640394763895,0.5950500308409293,0.4548158967856898
EOS-3-19492,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cn5)cn4)n23)cn1,JMDLQMHVDWEGNK-UHFFFAOYSA-N,3,1,0.277,86,652,451.429,2.64,6,0.398,0.64,0.99,0.15917346309368788,0.20702830511959427,0.16859708039202248,0.20446679459941058,0.18481641080117878
EOS-3-19493,c1coc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)nn2)c1,IUMHFPMPSVSVKC-UHFFFAOYSA-N,3,1,0.348,6,280,435.407,3.486,6,0.396,0.69,0.994,0.40234562401480367,0.2371496127749983,0.302480981426907,0.26903570694263584,0.3027529812898362
EOS-3-19494,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)cn5)nc(C)n4)n23)cn1,QTUZVMAOEZWLMC-UHFFFAOYSA-N,3,1,0.483,24,786,428.431,3.373,5,0.42,0.68,1.0,0.6644678226303886,0.6989753957919266,0.3281303543280104,0.26635425947501884,0.48948195805633604
EOS-3-19495,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccncc5)ncn4)n23)nc1,SJOLKQFMMSUWFB-UHFFFAOYSA-N,3,1,0.435,46,181,432.394,3.555,5,0.401,0.69,0.999,0.4689877321636625,0.4326040024672744,0.7272291138372969,0.6454835172366528,0.5685760914262217
EOS-3-19496,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5nncn5C)c4)n23)c(F)c1,DISQZIZUCXHBGU-UHFFFAOYSA-N,3,1,0.317,99,765,454.433,1.978,6,0.392,0.65,1.0,0.18145603454184087,0.29402542663285586,0.12033959289973271,0.15492426838462064,0.18768633061476253
EOS-3-19497,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)nn5)n4)n23)cc1,NVNSCUSSEVTCOW-UHFFFAOYSA-N,3,1,0.305,8,890,440.406,1.764,6,0.402,0.59,1.0,0.024133027208553218,0.13677095469810158,0.07311013638544309,0.10003598108423001,0.08351252484408198
EOS-3-19498,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nn2)no1,QLHYXMKUIJXVRH-UHFFFAOYSA-N,3,1,0.625,54,411,434.847,3.215,5,0.397,0.69,0.999,0.5348502501542046,0.5308837639640874,0.12869234459598383,0.20719964361592763,0.35040650058255085
EOS-3-19499,O=C(O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)cc1,ARVIBYYUYFKRLX-UHFFFAOYSA-N,3,1,0.769,48,231,412.808,3.904,4,0.516,0.78,1.0,0.8192635871427593,0.3139349599067919,0.8544222465903639,0.8033719416078404,0.6977481838119388
EOS-3-19500,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,VIDCYTMJTOPHMP-UHFFFAOYSA-N,3,1,0.524,2,419,429.871,3.918,5,0.378,0.74,1.0,0.7609913645397848,0.8420002056061956,0.6375162771571516,0.6511205537660202,0.7229071002672881
EOS-3-19501,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnnc5)n4)n23)cc1,LALCNIMUAZFETC-UHFFFAOYSA-N,3,1,0.307,98,865,432.451,3.106,6,0.418,0.63,1.0,0.11550784730313207,0.04453087519703927,0.2620622301418683,0.2718713590569529,0.17349307792474813
EOS-3-19502,Fc1cncc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)c1,COYIMETXDOAZDN-UHFFFAOYSA-N,3,1,0.527,11,490,430.418,4.148,5,0.403,0.71,1.0,0.8415632924405455,0.8086834349941745,0.8094544582276746,0.8222534439037763,0.8204886573915428
EOS-3-19503,Cc1c(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)c(F)c2)nnn1C,FCCAOQCPCKYBIA-UHFFFAOYSA-N,3,1,0.418,13,374,436.838,3.875,5,0.394,0.76,1.0,0.3873192378863683,0.5634038105681585,0.46383901034884517,0.5041720923857173,0.47968353779727235
EOS-3-19504,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncc(F)c5)n4)n23)cn1,VHUFYXVNFVVFTA-UHFFFAOYSA-N,3,1,0.506,4,390,431.406,3.809,5,0.418,0.7,1.0,0.7158779384552121,0.7626447810294017,0.6907083133438421,0.6481820985539031,0.7043532828455897
EOS-3-19505,Fc1cnc(F)c(F)c1COc1cncc2nnc(-c3cc(-c4cccnc4)ccn3)n12,TUQWBUDTDPMYMM-UHFFFAOYSA-N,3,1,0.398,46,160,435.369,3.64,5,0.389,0.71,1.0,0.7462990884791995,0.6694709067233225,0.844750188472346,0.8263141662668768,0.7717085874854361
EOS-3-19506,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)cc1F,WOFMYXLTQUBJNA-UHFFFAOYSA-N,3,1,0.298,10,705,453.416,3.774,6,0.401,0.65,1.0,0.05102460420807347,0.23715817969981495,0.6635425947501885,0.7083561784661778,0.41502038928106366
EOS-3-19507,Cc1nc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc(-c2cnc(C)o2)n1,JPZFCOFPNRJQPC-UHFFFAOYSA-N,3,1,0.458,89,398,482.504,3.324,6,0.371,0.9,1.0,0.33413576862449457,0.12647351106846685,0.06462031389212529,0.045002056061956,0.14255791241176066
EOS-3-19508,Cn1nccc1-c1ccc(-c2nnc3cncc(Cc4cccc(-c5ccccn5)c4)n23)cn1,BOQMJWGEBNALOY-UHFFFAOYSA-N,3,1,0.347,32,945,444.502,4.24,6,0.395,0.76,1.0,0.13453498732095126,0.09409910218627922,0.46763415804262903,0.4481272702350764,0.28609887944623397
EOS-3-19509,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)cs1,ALECZKMUBSGGIF-UHFFFAOYSA-N,3,1,0.488,24,786,435.9,4.246,5,0.381,0.83,1.0,0.49903193749571656,0.6398464807072853,0.33552361044479473,0.34296826811047904,0.4543425741895689
EOS-3-19510,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nn5)n34)cnn2)nc1,JZSJLSHUQIJUEJ-UHFFFAOYSA-N,3,1,0.392,53,226,451.41,0.983,5,0.388,0.65,0.751,0.4791738057706806,0.1887122198615585,0.09151189089164553,0.07763347268864368,0.20925784730313207
EOS-3-19511,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(C)ncc5F)n34)c2)cn1,VWNHBMWQBPXCHA-UHFFFAOYSA-N,3,1,0.483,16,55,427.443,3.978,5,0.419,0.74,1.0,0.709795421835378,0.5832362415187444,0.6313223905147008,0.5174765266260023,0.6104576451237064
EOS-3-19512,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)nn1,CELPPOVOFJZAGN-UHFFFAOYSA-N,3,1,0.289,98,642,446.478,3.414,6,0.405,0.64,1.0,0.08774244397231169,0.0555136728120074,0.23002193132753068,0.21336782948392846,0.14666146939894456
EOS-3-19513,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-n5cccn5)n4)n23)cc1,ZJSQLGCRDQMXOV-UHFFFAOYSA-N,3,1,0.534,4,731,428.843,3.476,5,0.421,0.7,1.0,0.5217771228839696,0.6792029333150572,0.5857549174148448,0.6248543622781166,0.602897333972997
EOS-3-19514,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2F)n1,VAVIWRSBRRPIQH-UHFFFAOYSA-N,3,1,0.54,4,31,447.861,4.323,5,0.37,0.78,1.0,0.8220906723322596,0.8454869440065794,0.6550784730313207,0.6481906654787197,0.7427116887122199
EOS-3-19515,Cc1nc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c2)nn1C,CFHQPTVGFBRJMH-UHFFFAOYSA-N,3,1,0.277,76,14,447.466,2.809,6,0.401,0.64,0.951,0.04507059146048934,0.040924199849222125,0.05864060037009115,0.06017407991227469,0.051202367898019324
EOS-3-19516,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)nn1,ZXDUZMJYFCPPSF-UHFFFAOYSA-N,3,1,0.53,4,82,432.394,3.204,5,0.417,0.64,1.0,0.752218833527517,0.7223459666917963,0.4813840723733809,0.4511942293194435,0.6017857754780344
EOS-3-19518,Cc1nn(-c2cncnn2)cc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,ISFDPUAZGAZSDP-UHFFFAOYSA-N,3,1,0.284,98,42,435.455,2.538,6,0.415,0.61,1.0,0.008584058666301145,0.006682201357000891,0.1287009115208005,0.12032245905009938,0.06607240764855048
EOS-3-19519,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nc(C)cn5C)nn4)n23)cc1,OHOUIGNRHOSFMC-UHFFFAOYSA-N,3,1,0.315,74,333,441.455,2.442,5,0.441,0.63,1.0,0.28221163731067095,0.07437804125830992,0.09370502364471249,0.02842505654170379,0.1196799396888493
EOS-3-19520,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cc(C(F)(F)F)ncn5)n34)cn2)n1,XEEFETLATJNLHK-UHFFFAOYSA-N,3,1,0.436,7,185,455.36,2.933,5,0.39,0.72,0.999,0.5860376259337948,0.5680727845932424,0.6138201631142485,0.3882701665410184,0.539050185045576
EOS-3-19521,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cccc(-c6ccccn6)n5)n34)nc2)nn1,UYXYBKZORCFBJM-UHFFFAOYSA-N,3,1,0.312,76,368,432.451,3.106,6,0.418,0.66,1.0,0.02186279213213625,0.014683709135768625,0.16860564731683914,0.1793143033376739,0.09611661298060448
EOS-3-19522,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cnn1,FPEUXTXRGSHONS-UHFFFAOYSA-N,3,1,0.289,39,356,451.429,2.64,6,0.398,0.65,0.966,0.10507333287643067,0.15588376396408746,0.16861421424165582,0.25426632855870057,0.17095940991021863
EOS-3-19523,Cn1ccnc1-c1ncccc1-c1nnc2cncc(-c3cnc(-c4cncnn4)cc3F)n12,XGDALHHJTOWULR-UHFFFAOYSA-N,3,1,0.286,86,377,451.429,2.64,6,0.398,0.63,1.0,0.13200774450003427,0.17150126790487286,0.19824720718250977,0.23363717360016448,0.18384834829689534
EOS-3-19524,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccoc6)nc5)n34)cn2)nn1,SXAGNNWRNSGSII-UHFFFAOYSA-N,3,1,0.307,70,151,441.842,3.742,6,0.406,0.69,0.287,0.021871359056952915,0.13677952162291823,0.39161983414433554,0.46371907340141183,0.25349744705640465
EOS-3-19525,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1nccn1C,MHNABNKHULBDMU-UHFFFAOYSA-N,3,1,0.5,16,375,431.431,3.314,5,0.381,0.71,1.0,0.755054485641834,0.4897967925433486,0.5857634843396614,0.41953944212185595,0.562538551161675
EOS-3-19526,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cn2)cc1,VZOXHHPHJWDIJJ-UHFFFAOYSA-N,3,1,0.319,30,195,416.448,4.101,6,0.43,0.8,0.921,0.0028013844150503735,0.012130765540401618,0.45357583441847715,0.4880491398807484,0.23913928106366938
EOS-3-19527,c1cc(-c2ccc(-c3nnc4cncc(-c5nccc(-c6ccsc6)n5)n34)nc2)ccn1,HZSYAPIWKDIYIN-UHFFFAOYSA-N,3,1,0.273,42,957,434.488,4.434,6,0.405,0.76,1.0,0.05786101021177438,0.10697519018573093,0.3466349119320129,0.39145706257281887,0.22573204372558425
EOS-3-19528,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)n1,BQHJKDSQTSGHMJ-UHFFFAOYSA-N,3,1,0.323,76,387,433.439,2.501,6,0.412,0.63,1.0,0.03477314783085464,0.026086286066753478,0.05678157768487424,0.07587725310122678,0.048379566170927285
EOS-3-19529,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnn6)[nH]5)n34)cc2)n1C,AYBPVPVTRKVODN-UHFFFAOYSA-N,3,1,0.291,98,407,435.455,2.742,6,0.448,0.6,0.995,0.11256082516619834,0.06346377904187513,0.11151566033856487,0.11086457405249811,0.09960120964978411
EOS-3-19530,Cc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnn(-c4cccc(Cl)c4)c3)n12,ZCCWUXHTHBKNPL-UHFFFAOYSA-N,3,1,0.321,52,246,470.924,3.893,6,0.418,0.71,0.999,0.05618189294770749,0.1595932424097046,0.14364162840106914,0.2718799259817696,0.1578241724350627
EOS-3-19531,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccccc6)nn5)n34)cn2)cc1,CRPUTQUUDZUSGA-UHFFFAOYSA-N,3,1,0.354,30,220,428.459,4.372,6,0.411,0.75,1.0,0.12918922623535056,0.13678808854773492,0.3617726680830649,0.469930093893496,0.2744200191899116
EOS-3-19532,CCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)nc1,LVKZCMVEIKFITA-UHFFFAOYSA-N,3,1,0.457,46,267,443.898,4.438,5,0.383,0.73,1.0,0.43859228291412516,0.49932321293948323,0.5430744979782057,0.5106401206223015,0.49790752861352894
EOS-3-19533,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cncc(F)c4)n23)nc1,HGHPUDDGAPZERJ-UHFFFAOYSA-N,3,1,0.307,70,314,450.441,3.245,6,0.402,0.63,0.98,0.25809574395175106,0.2780823795490371,0.2916780892330889,0.339849907477212,0.29192653005277225
EOS-3-19534,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)c2)nc1,XXBDENVHLGYANV-UHFFFAOYSA-N,3,1,0.481,2,491,452.812,3.549,5,0.399,0.66,1.0,0.831985470495511,0.8127270235076417,0.7115516414227949,0.745690836817216,0.775488743060791
EOS-3-19535,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-n5cccn5)cn4)n23)cc1,NTCGLTJGPYYQJX-UHFFFAOYSA-N,3,1,0.291,98,890,420.44,2.834,6,0.432,0.67,1.0,0.023002193132753066,0.013381536563635117,0.22621821670893016,0.22771742855184704,0.12257984373929134
EOS-3-19536,COc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5cnc(C)nn5)c4)n23)c1,GDQQTXMTQURAQC-UHFFFAOYSA-N,3,1,0.626,91,309,457.469,3.721,5,0.365,0.71,1.0,0.8192721540675759,0.7756065382770201,0.5597628675210746,0.4543811253512439,0.6522556713042286
EOS-3-19537,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)cc3Cl)n12,KZZJSLNULSALIZ-UHFFFAOYSA-N,3,1,0.565,11,0,446.873,4.662,5,0.377,0.78,1.0,0.919873552189706,0.9433469261873758,0.8281389212528271,0.8512524844081968,0.8856529710095264
EOS-3-19538,Cc1ncc(C#N)cc1COc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,ZPGHFBILPCCJBR-UHFFFAOYSA-N,3,1,0.524,36,320,423.44,2.741,5,0.423,0.69,1.0,0.4456599958878761,0.3431738743060791,0.3731838119388664,0.28396785689808784,0.3614963847577274
EOS-3-19539,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)cn2)n1,OXCVTEBLHFGHOY-UHFFFAOYSA-N,3,1,0.282,99,286,437.431,1.234,6,0.395,0.63,1.0,0.0667192104722089,0.04453944212185594,0.01763073127270235,0.015574669316702077,0.03611601329586731
EOS-3-19540,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2)cn1,IICFWCXRMPERHX-UHFFFAOYSA-N,3,1,0.411,92,565,418.848,3.214,5,0.404,0.77,1.0,0.4479302309642931,0.45463813309574397,0.5329398259200877,0.49413165650058255,0.4824099616201768
EOS-3-19541,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccno5)nc4)n23)nc1,QDUIVWUZSRNNEX-UHFFFAOYSA-N,3,1,0.296,70,899,423.4,2.094,6,0.414,0.67,1.0,0.14518367486806935,0.07438660818312659,0.06657357275032555,0.08119731341237749,0.09183529230347473
EOS-3-19542,Cc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc(-c2cncn2C)n1,URRYAJIUSZCCDD-UHFFFAOYSA-N,3,1,0.494,59,910,433.422,3.752,5,0.42,0.69,1.0,0.6118155027071482,0.45890446165444454,0.7683846206565691,0.6971934754300596,0.6340745151120554
EOS-3-19543,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)cn2)nn1,IGPVUQSAANAZPK-UHFFFAOYSA-N,3,1,0.277,86,892,449.413,2.696,6,0.395,0.63,0.943,0.22280858063189637,0.27809094647385374,0.1813960660681242,0.23364574052498116,0.2289853334247139
EOS-3-19544,Cc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(F)cn5)n34)ncc2F)cn1,AVEHZULJGGPSPP-UHFFFAOYSA-N,3,1,0.368,51,48,433.382,2.599,5,0.412,0.63,1.0,0.6088256459461312,0.5727160578438764,0.21233979850592832,0.22455623329449662,0.4046094338976081
EOS-3-19545,N#Cc1cc(CCOc2cncc3nnc(-c4cncc(-c5cnccc5F)c4)n23)ccc1F,YJNRSQPCDZYIMA-UHFFFAOYSA-N,3,1,0.557,84,884,455.428,4.02,5,0.381,0.74,1.0,0.8864711123295183,0.8832670824480844,0.9261873757795902,0.9117178397642383,0.9019108525803579
EOS-3-19546,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)nc1,XUNOGLNNYSUYAN-UHFFFAOYSA-N,3,1,0.238,39,871,433.439,2.594,6,0.412,0.62,0.644,0.0011308340758001507,0.003461037625933795,0.02397025563703653,0.03431910081557124,0.01572030703858543
EOS-3-19547,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ncc(CO)nn5)ccn4)n23)cc1,AUKPVERCUKUTPH-UHFFFAOYSA-N,3,1,0.378,85,357,439.439,1.22,5,0.397,0.66,1.0,0.23680693578233158,0.09099787540264546,0.10907408676581454,0.07189363306147625,0.12719313275306696
EOS-3-19548,Fc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnsc5)c4)n23)n1,GYXPPSAZGFYRAB-UHFFFAOYSA-N,3,1,0.518,20,279,437.435,3.605,5,0.401,0.71,1.0,0.7696696593790693,0.7714001781920362,0.5794582276745939,0.6071036940579809,0.6819079398259201
EOS-3-19549,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4)n23)nc1,RLUULPIDSLTRHJ-UHFFFAOYSA-N,3,1,0.279,86,812,420.44,3.039,6,0.466,0.66,0.998,0.09983894181344664,0.05941162360359126,0.20877595778219452,0.19018573093002536,0.13955306353231445
EOS-3-19550,CCn1cnnc1-c1nncc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,WYECJJGCOWXWIO-UHFFFAOYSA-N,3,1,0.356,85,784,427.432,0.944,5,0.417,0.61,1.0,0.06489445548625865,0.01610581865533548,0.008395586320334453,0.004549037077650606,0.023486224384894797
EOS-3-19551,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)cc1,VWBFZQWQOURONJ-UHFFFAOYSA-N,3,1,0.32,42,150,420.44,2.835,6,0.432,0.68,1.0,0.0030840929340004114,0.012139332465218285,0.30963436364882463,0.28089233088890414,0.15143752998423687
EOS-3-19552,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)no2)nn1,OJLHGBPHDOKQGI-UHFFFAOYSA-N,3,1,0.454,89,926,469.465,2.411,6,0.377,0.75,1.0,0.3035946816530738,0.1479936262079364,0.023978822561853196,0.02303646083201974,0.1246508978137208
EOS-3-19553,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c(Cl)c1,TXQSQOHZRFMOQQ-UHFFFAOYSA-N,3,1,0.518,35,846,447.861,4.057,5,0.387,0.69,1.0,0.927660886848057,0.9301195942704407,0.6523541909396203,0.6945291618120759,0.8011659584675485
EOS-3-19554,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cccc(-c4cnccn4)c3)n12,BHXYZTORCRQEIR-UHFFFAOYSA-N,3,1,0.506,35,846,447.861,4.057,5,0.387,0.69,1.0,0.8062332944966075,0.8385306010554452,0.6610153519292715,0.69996915907066,0.751437101637996
EOS-3-19555,Fc1ccccc1-c1cccc(-c2nnc3cncc(OCc4ncnc(Cl)n4)n23)c1,LONGSWNHDRXBPL-UHFFFAOYSA-N,3,1,0.46,1,700,433.834,4.015,5,0.413,0.7,1.0,0.8370399561373449,0.8280361181550271,0.6496727434720033,0.7191847714344459,0.7584833972997053
EOS-3-19556,COc1c(-c2cc(COc3cncc4nnc(-c5nccn5C)n34)cnn2)ccc(F)c1F,WQKVAONIWLGDNS-UHFFFAOYSA-N,3,1,0.406,16,659,450.409,2.848,5,0.389,0.66,0.998,0.39167980261805224,0.2780995133986704,0.4915701459803989,0.4004609005551367,0.3904525906380646
EOS-3-19557,COc1ncc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(C(C)(C)O)nc3)n12,OMBAMUOEQVCSLQ-UHFFFAOYSA-N,3,1,0.33,92,974,444.459,1.675,5,0.425,0.68,1.0,0.21455863203344527,0.11011068466863135,0.12870947844561717,0.03538996641765472,0.12219219039133712
EOS-3-19558,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)cc1,MKMLJVZRUVJBFP-UHFFFAOYSA-N,3,1,0.338,25,791,465.908,4.364,6,0.381,0.79,1.0,0.09984750873826331,0.27308786238091975,0.47090672332259614,0.6134089507230485,0.36431276129120693
EOS-3-19559,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)s1,MPVPSKXDZXCKOR-UHFFFAOYSA-N,3,1,0.337,76,507,455.482,3.911,6,0.397,0.7,0.378,0.14822493317798643,0.3087605373175245,0.26207079706668496,0.3591254883147145,0.2695454389692276
EOS-3-19560,COc1cc(-c2nnc3cncc(-c4ccc(C(N)=O)nn4)n23)ccc1-c1cnc(CF)s1,CEDHWSDNJKSWIX-UHFFFAOYSA-N,3,1,0.326,61,336,462.47,2.949,5,0.407,0.69,1.0,0.35497052977863064,0.2987800699061065,0.1145397847988486,0.08286786375162772,0.21278956205880337
EOS-3-19561,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5C)ccn4)n23)nc1,UWSVCRTVJMFZIB-UHFFFAOYSA-N,3,1,0.39,89,122,470.468,3.029,5,0.376,0.69,0.999,0.4316616407374409,0.30385168939757384,0.3731923788636831,0.2277259954766637,0.3341079261188404
EOS-3-19562,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4)n23)ccc1F,UMXYVIZYNJDJND-UHFFFAOYSA-N,3,1,0.462,73,930,443.377,2.767,5,0.403,0.68,1.0,0.7493403467891165,0.8204201219930094,0.5297015283393873,0.4880577068055651,0.6468799259817696
EOS-3-19563,Cc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ccnc(F)c5)c4)n23)n1,RBTCGQJKXPOQLI-UHFFFAOYSA-N,3,1,0.5,75,278,427.443,3.712,5,0.382,0.76,0.999,0.7432835309437325,0.639855047632102,0.5054742649578507,0.44165067507367556,0.5825658796518403
EOS-3-19564,Cc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cccnn4)cn3)n12,GTUYRVMZZLGAFF-UHFFFAOYSA-N,3,1,0.394,46,565,430.859,3.579,5,0.39,0.71,1.0,0.6429305736412857,0.5929254334863957,0.47419642245219656,0.4481358371598931,0.5395470666849428
EOS-3-19565,Cn1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cnn2)n1,NDXIYNNZMADUAL-UHFFFAOYSA-N,3,1,0.307,98,882,436.443,1.839,6,0.406,0.6,0.999,0.06490302241107532,0.028485025015420464,0.07751353574121034,0.07190219998629292,0.06070094578849976
EOS-3-19566,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)n5)n34)ncn2)nc1,ZIQJPDFYTUXVGC-UHFFFAOYSA-N,3,1,0.402,31,296,429.419,2.502,5,0.401,0.66,0.664,0.5528322253443904,0.42358303063532315,0.16221472140360496,0.152337057089987,0.3227417586183263
EOS-3-19567,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cn1,PIGNMNKRIUZXSE-UHFFFAOYSA-N,3,1,0.247,86,953,446.438,2.261,6,0.393,0.61,0.988,0.09047529298882873,0.03127784250565417,0.07950962922349393,0.08287643067644439,0.07103479884860531
EOS-3-19568,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)on2)nn1,RQBMMSOERVQUEX-UHFFFAOYSA-N,3,1,0.554,16,134,426.799,2.946,5,0.422,0.68,1.0,0.6034627510108971,0.7626533479542184,0.43535398533342473,0.4941402234253992,0.5739025769309849
EOS-3-19569,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cn1,QUHVTGKJVRCVLV-UHFFFAOYSA-N,3,1,0.565,4,506,429.871,4.184,5,0.413,0.69,1.0,0.4938746487560825,0.6118155027071482,0.5826194229319444,0.5764426701391269,0.5661880611335754
EOS-3-19570,Fc1cccc(-c2cc(F)c(-c3nnc4cncc(-c5cnc(-c6cncnc6)nc5)n34)cn2)c1,IQVXEARQTCQCJR-UHFFFAOYSA-N,3,1,0.354,94,106,465.427,4.046,6,0.384,0.7,1.0,0.3341443355493112,0.467736961140429,0.6825011993694743,0.7270663422657803,0.5528622095812487
EOS-3-19571,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nn1,XZXNHXLLACPVCL-UHFFFAOYSA-N,3,1,0.607,19,159,447.861,4.057,5,0.387,0.68,1.0,0.7313241038996642,0.7269892399424303,0.6688026865876225,0.721763415804263,0.7122198615584949
EOS-3-19572,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c1-c1ccc(F)cc1,FXRBVAWPSGQVKS-UHFFFAOYSA-N,3,1,0.365,32,179,448.465,4.455,6,0.396,0.74,1.0,0.08309060379686108,0.24259817695839903,0.5921629771777123,0.6336440271400178,0.38787394626824756
EOS-3-19573,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cc(F)ccn5)c4)n23)cc1,ZFCWISSXHQCUKI-UHFFFAOYSA-N,3,1,0.333,9,642,448.465,4.455,6,0.396,0.74,1.0,0.2447570420121993,0.28332533753683775,0.6550870399561374,0.6859708039202248,0.46728505585634983
EOS-3-19574,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cnncc4-c4ccccc4F)n23)cc1,VBGMPCMHVUJPCV-UHFFFAOYSA-N,3,1,0.359,9,38,448.465,4.455,6,0.396,0.74,1.0,0.24222123226646564,0.3191950517442259,0.7821859365362209,0.787548831471455,0.5327877630045919
EOS-3-19575,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ccc2F)nn1,LTEALMXPKSSZPW-UHFFFAOYSA-N,3,1,0.639,91,70,445.433,3.851,5,0.392,0.67,1.0,0.9527191419368104,0.9363477486121582,0.6989154273182099,0.6999777259954767,0.8219900109656637
EOS-3-19576,N#Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c2)cn1,JZLINGGZTCZXCG-UHFFFAOYSA-N,3,1,0.426,46,348,456.416,4.032,5,0.376,0.74,1.0,0.7754094990062367,0.6596360770337879,0.8746059214584333,0.8182698238640258,0.781980330340621
EOS-3-19577,FC(F)c1ncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)s1,JKLBBOCXJCKDSR-UHFFFAOYSA-N,3,1,0.568,47,320,426.412,3.55,5,0.442,0.7,1.0,0.6672863408950723,0.5496538962374066,0.4315502707148242,0.34297683503529575,0.4978668357206497
EOS-3-19578,c1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)nn2)nn1,JRMCOPDHIIPSRZ-UHFFFAOYSA-N,3,1,0.419,71,614,450.426,1.797,6,0.394,0.63,1.0,0.4865413611130149,0.35773764649441436,0.07522616681516003,0.08288499760126106,0.2505975430059626
EOS-3-19579,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)ncn1,AROPTHWZZQXEGO-UHFFFAOYSA-N,3,1,0.704,24,583,443.898,4.227,5,0.388,0.73,1.0,0.7754180659310533,0.7362757864436982,0.5733071756562265,0.5732986087314098,0.6645749091905968
EOS-3-19580,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)cc1Cl,HTWXGIYIMJHGSY-UHFFFAOYSA-N,3,1,0.709,84,884,446.873,4.662,5,0.377,0.8,1.0,0.9212785278596395,0.9363563155369748,0.8859056952916181,0.8947381947776026,0.9095696833664588
EOS-3-19581,CCn1c(-c2ccc(F)cn2)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,HPJLBFDPNDRNIJ-UHFFFAOYSA-N,3,1,0.325,8,882,467.472,3.066,6,0.38,0.68,1.0,0.17276060585292302,0.23716674662463164,0.055068192721540676,0.0960180933452128,0.14025340963607702
EOS-3-19582,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncn4)n23)cc1,BLQYESYRPCISAQ-UHFFFAOYSA-N,3,1,0.542,73,82,418.367,2.896,5,0.429,0.69,1.0,0.8486310054142965,0.8385391679802618,0.49157871290521554,0.5143410321431019,0.6732724796107189
EOS-3-19583,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)cc5)n34)cn2)nn1,XQEPIFITLVZUPO-UHFFFAOYSA-N,3,1,0.31,98,727,446.478,3.414,6,0.405,0.63,1.0,0.03108937015968748,0.03732609142622164,0.2620793639915016,0.24817524501404975,0.14466751764786512
EOS-3-19584,COc1cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1nccn1C,NKNHUCYTYOTOFF-UHFFFAOYSA-N,3,1,0.452,16,375,445.458,3.622,5,0.394,0.69,1.0,0.6313309574395175,0.4898053594681653,0.5665393050510589,0.3722071825097663,0.514970701117127
EOS-3-19585,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)nn2C)cn1,AMCPFFPLCHTDQC-UHFFFAOYSA-N,3,1,0.593,95,493,432.463,3.169,5,0.393,0.71,1.0,0.25292132136248374,0.15960180933452128,0.2656517716400521,0.24818381193886643,0.23158967856898088
EOS-3-19586,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)cc1=O,QQFOZYFJOHIGEK-UHFFFAOYSA-N,3,1,0.545,4,71,463.86,3.319,5,0.394,0.68,1.0,0.52460420807347,0.568081351518059,0.6716297717771229,0.6859793708450415,0.6125736755534233
EOS-3-19588,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cc(-c4cccnc4)cnn3)n12,KIYATPIWEUOOLH-UHFFFAOYSA-N,3,1,0.423,87,207,448.849,3.452,5,0.389,0.66,1.0,0.591888835583579,0.6448495648002193,0.5054828318826674,0.592068741004729,0.5835724933177986
EOS-3-19589,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cnncc5Cl)n34)nn2)c1,JVSSGMRAYSWDGX-UHFFFAOYSA-N,3,1,0.517,54,691,448.849,3.452,5,0.389,0.66,0.982,0.8036118155027071,0.8549962305530807,0.5164056610239188,0.6306798711534508,0.7014233945582894
EOS-3-19590,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccnn5C)nn4)n23)nc1,GQSJUHPFYDSHEK-UHFFFAOYSA-N,3,1,0.313,99,502,452.442,1.965,6,0.381,0.67,1.0,0.2715286820642862,0.1405918031663354,0.04938832156808992,0.03327393598793777,0.12369568569666232
EOS-3-19591,Cn1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c2)n1,UPEKILRBWBURAS-UHFFFAOYSA-N,3,1,0.442,92,760,436.386,2.288,5,0.394,0.65,0.998,0.3062247275717908,0.3038602563223905,0.33195976972106095,0.28397642382290456,0.3065052943595367
EOS-3-19592,Fc1ccc(F)c(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,OACMWELDJVINHI-UHFFFAOYSA-N,3,1,0.351,93,689,452.428,4.379,6,0.395,0.73,0.969,0.08534370502364472,0.3717702693441162,0.6343893495990679,0.7735419093962032,0.46626130834075796
EOS-3-19593,Fc1cnc(-c2cccc(-c3nnc4cncc(Cc5cc(F)cc(F)c5)n34)c2)nc1,PKWVXMDWEUCOGI-UHFFFAOYSA-N,3,1,0.385,14,358,418.382,4.256,5,0.436,0.79,1.0,0.4133284216297718,0.4993317798642999,0.8916369679939689,0.9081796998149544,0.6781192173257488
EOS-3-19594,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)c(C)c5)n34)c2)n(C)n1,VJMJFDKHEOKOBK-UHFFFAOYSA-N,3,1,0.54,13,374,431.887,4.649,5,0.412,0.82,1.0,0.42262353505585637,0.4766551298745802,0.4676427249674457,0.46993866081831265,0.45921501267904874
EOS-3-19596,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cn4)n23)cn1,CHDFMVMAXGURKU-UHFFFAOYSA-N,3,1,0.284,94,892,451.429,2.64,6,0.398,0.66,0.978,0.22014426701391268,0.28333390446165446,0.1783034062093071,0.22773456240148038,0.22737903502158865
EOS-3-19597,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)nn1,HNRMQAGDLXAMMV-UHFFFAOYSA-N,3,1,0.448,53,785,429.419,2.502,5,0.401,0.64,0.953,0.5271999862929203,0.489813926392982,0.20533205400589405,0.21028373654992805,0.3581574258104311
EOS-3-19598,Cc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnncn5)c4)n23)n1,YCLGFROZGPVVKA-UHFFFAOYSA-N,3,1,0.489,20,279,429.419,2.502,5,0.401,0.64,1.0,0.8461551641422795,0.7964327325063395,0.28814851620862175,0.2780481118497704,0.5521961311767528
EOS-3-19599,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,CSOMVGHUKQBLOC-UHFFFAOYSA-N,3,1,0.435,67,789,451.454,2.57,6,0.388,0.66,1.0,0.32390686039339317,0.21677746556096222,0.10109827976149681,0.08289356452607773,0.1811690425604825
EOS-3-19600,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)ncn2)nn1,FIJOKMTXLSOOHL-UHFFFAOYSA-N,3,1,0.463,44,481,446.421,3.246,5,0.392,0.66,0.999,0.6613237612226716,0.5882650263861284,0.5262661914879035,0.5143495990679186,0.5725511445411555
EOS-3-19601,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)ncc1Cl,GVFVSAVBPIORFY-UHFFFAOYSA-N,3,1,0.469,87,838,448.849,3.452,5,0.389,0.67,1.0,0.737081077376465,0.7797529298882873,0.5857720512644781,0.6192344595983825,0.6804601295319032
EOS-3-19602,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ncn1,QOVMXCIPDDBMTA-UHFFFAOYSA-N,3,1,0.447,18,481,448.849,3.452,5,0.389,0.67,1.0,0.7341854567884313,0.6550870399561374,0.49838941813446647,0.570223082722226,0.6144712494003153
EOS-3-19603,CCn1c(-c2cncc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,LSJBBTIVXZXYGF-UHFFFAOYSA-N,3,1,0.305,8,474,463.48,4.333,6,0.375,0.77,0.916,0.20927283942156125,0.28855116167500516,0.20878452470701117,0.3429854019601124,0.2623984819409225
EOS-3-19604,Fc1c(-c2cocn2)ccc(-c2nnc3cncc(-c4ncc(Br)cn4)n23)c1F,OSUCYRNSIHAMRN-UHFFFAOYSA-N,3,1,0.32,73,575,456.21,3.944,5,0.406,0.67,1.0,0.3826930984853677,0.4371359056952916,0.687975464327325,0.7297392228085806,0.5593859228291412
EOS-3-19605,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)cn1,NITVNJIAVUHZBB-UHFFFAOYSA-N,3,1,0.575,11,111,430.418,4.148,5,0.377,0.75,1.0,0.8973168391474197,0.869868412034816,0.8588427797957645,0.8404324583647453,0.8666151223356864
EOS-3-19606,Fc1cncc(-c2ccnc(-c3nnc4cncc(CCc5ccc(F)c(F)c5)n34)c2)c1,LXHXLHRNYWKJGG-UHFFFAOYSA-N,3,1,0.404,59,153,432.409,4.451,5,0.41,0.75,0.995,0.4433383592625591,0.5172195188815023,0.907494345829621,0.9235144952367899,0.697891679802618
EOS-3-19607,c1cncc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)c1,AVJMLTHBMJGORT-UHFFFAOYSA-N,3,1,0.241,86,953,420.4,1.681,6,0.414,0.68,1.0,0.003092659858817079,0.003144061407717086,0.05864916729490782,0.08463265026386128,0.03737963470632582
EOS-3-19608,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(F)cncc4Oc4cccc(Cl)c4)n23)nc1,SBUWQCBYKGCDME-UHFFFAOYSA-N,3,1,0.337,96,586,475.871,4.193,5,0.406,0.8,0.998,0.5745408128298266,0.5496624631622233,0.6408059762867521,0.6336525940648345,0.5996654615859092
EOS-3-19609,Fc1c(CCc2cncc3nnc(-c4ccc(Cl)cc4)n23)cccc1-c1cnccn1,REBQDMLKSLNMBY-UHFFFAOYSA-N,3,1,0.415,14,358,430.874,4.826,5,0.399,0.8,1.0,0.5348588170790213,0.8243694743334933,0.8369028853402782,0.8838067987115346,0.7699844938660818
EOS-3-19610,CCOc1ccnc(-c2nc(C)ncc2-c2nnc3cncc(-c4ccccc4Cl)n23)n1,SCUGCGGUANMLBY-UHFFFAOYSA-N,3,1,0.343,82,478,444.886,4.066,5,0.399,0.71,0.998,0.4742735247755466,0.5680899184428757,0.19484613803029266,0.2481923788636831,0.3713504900280995
EOS-3-19611,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)s1,DPFFWMSPVQBNOB-UHFFFAOYSA-N,3,1,0.338,98,865,439.508,3.716,6,0.416,0.68,1.0,0.04210643547392228,0.08132581728462751,0.20163970940991022,0.18478000137070796,0.127462990884792
EOS-3-19612,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cc1F,BPYGOMLEQUADBH-UHFFFAOYSA-N,3,1,0.365,22,681,426.337,3.65,5,0.408,0.67,0.038,0.09746590363922966,0.3907802755123021,0.8797032417243507,0.8767733534370502,0.5611806935782332
EOS-3-19613,Clc1ccc(-c2nnc3cncc(OCc4coc(-c5cccnn5)n4)n23)c(Cl)c1,CGWVWBRNXGOZFE-UHFFFAOYSA-N,3,1,0.529,34,10,440.25,4.122,5,0.402,0.75,0.996,0.5773593310945103,0.7362843533685148,0.512636214104585,0.6306884380782675,0.6142420841614694
EOS-3-19614,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)c(F)c1,OQIOIAQSGCVQQG-UHFFFAOYSA-N,3,1,0.329,64,27,467.443,3.989,6,0.387,0.75,1.0,0.2064286203824275,0.2730964293057364,0.5397419642245219,0.6192430265231992,0.40962751010897125
EOS-3-19615,Cc1nc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)nc2)n(C)n1,UAUKOVNREKEFDD-UHFFFAOYSA-N,3,1,0.295,98,356,465.456,2.948,6,0.386,0.67,0.821,0.11822356247001577,0.2167860324857789,0.09858817079021315,0.15234562401480364,0.14648584744020288
EOS-3-19616,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)nc(C)n5)cn4)n23)cc1,MVMUMXBCQFWONG-UHFFFAOYSA-N,3,1,0.542,89,205,423.48,4.148,5,0.419,0.72,1.0,0.5015334795421835,0.38602563223905145,0.402722568706737,0.27188849290658623,0.3905425433486396
EOS-3-19617,Cn1cc(-c2cccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)cn6)cn5)n34)c2)nn1,ZFZUUMZKPBMHSD-UHFFFAOYSA-N,3,1,0.314,32,572,449.453,3.85,6,0.403,0.67,1.0,0.07890137756151051,0.18872078678637516,0.5229250908094031,0.5343790692892879,0.3312315811116442
EOS-3-19618,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)s5)n4)n23)cc1,FGBROWVRYXHMAY-UHFFFAOYSA-N,3,1,0.318,8,890,461.902,2.944,6,0.393,0.69,1.0,0.08309917072167775,0.19764752244534303,0.04756356658213968,0.1085258035775478,0.10920901583167707
EOS-3-19619,Fc1cc(-c2nnc3cncc(OCc4nccnc4-c4ccccc4)n23)ccc1Cl,DXLVBRGTNQCCJU-UHFFFAOYSA-N,3,1,0.573,1,700,432.846,4.62,5,0.403,0.79,1.0,0.9251679117264067,0.962656774724145,0.7662086217531355,0.8203258858200261,0.8685897985059283
EOS-3-19620,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)s1,AJOFUGCXOKYBFH-UHFFFAOYSA-N,3,1,0.455,55,283,420.433,3.126,5,0.427,0.75,0.997,0.6458090603796861,0.6398636145569186,0.22622678363374682,0.22774312932629703,0.43491064697416215
EOS-3-19621,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ncccn5)s4)n23)cc1,WSYRMNUKQIXDAP-UHFFFAOYSA-N,3,1,0.289,42,762,437.492,3.772,6,0.414,0.68,1.0,0.12919779316016722,0.10025872112946337,0.11454835172366527,0.1354345144267014,0.11985984510999932
EOS-3-19622,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5nncs5)ccn4)n23)nc1,OGGAOKWCVVYTAT-UHFFFAOYSA-N,3,1,0.461,46,128,422.861,3.332,5,0.424,0.7,1.0,0.4178774587074224,0.6118240696319649,0.254925981769584,0.31768727297649235,0.4005786957713659
EOS-3-19623,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)nc1,BSJXGISRRONGIW-UHFFFAOYSA-N,3,1,0.279,10,871,436.414,3.03,6,0.414,0.6,0.809,0.021879925981769584,0.1330871770269344,0.13157083133438421,0.20447536152422727,0.12275332396682886
EOS-3-19624,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)n5)nc4)n23)c1,PLVUZTFXTOQVQW-UHFFFAOYSA-N,3,1,0.516,58,56,431.406,3.543,5,0.38,0.72,1.0,0.9068775272428209,0.8915941333698856,0.655095606880954,0.6454920841614694,0.7747648379137825
EOS-3-19625,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)cnn1,KZEXPQGWWNFFOK-UHFFFAOYSA-N,3,1,0.396,33,760,430.392,-0.155,5,0.378,0.68,0.849,0.31140771708587484,0.07082276745939278,0.008866767185251182,0.0035981084230004797,0.09867384003837983
EOS-3-19626,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)cc5)n34)c2)cn1,DUGSMLAWFLIKFX-UHFFFAOYSA-N,3,1,0.299,9,508,420.44,3.039,6,0.466,0.67,1.0,0.09509286546501268,0.07439517510794326,0.4096275101089713,0.4004694674799534,0.24489625454047015
EOS-3-19627,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)cc1,HWQGMOMTDMABPY-UHFFFAOYSA-N,3,1,0.278,98,727,420.44,3.039,6,0.466,0.67,1.0,0.12616510177506682,0.10026728805428003,0.2477640326228497,0.25107086560208347,0.18131682201357002
EOS-3-19628,Cc1cc(Cl)nc(COc2cncc3nnc(-c4ccnc(-c5[nH]ncc5C)c4)n23)n1,OBQWGUFITAWYMM-UHFFFAOYSA-N,3,1,0.421,7,43,433.863,3.216,5,0.419,0.69,1.0,0.47428209170036323,0.5355955726132547,0.18140463299294085,0.1709615516414228,0.3405609622369954
EOS-3-19629,C#Cc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(F)cc4CO)n23)c(F)c1,LGNJOGGDPRLSEC-UHFFFAOYSA-N,3,1,0.31,96,558,439.425,4.272,5,0.423,0.68,0.43,0.38044856418340073,0.602126310739497,0.9529675827564937,0.9474076485504763,0.7207375265574669
EOS-3-19630,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)n(C)n1,SMPFEUUQLJSCLC-UHFFFAOYSA-N,3,1,0.523,36,463,433.863,2.918,5,0.416,0.65,1.0,0.5691607840449592,0.7499400315262833,0.11760674388321568,0.16049276951545474,0.3993000822424782
EOS-3-19631,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)cn5)cn4)n23)cn1,XTCXDCGSDDJATJ-UHFFFAOYSA-N,3,1,0.471,7,535,431.847,2.974,5,0.413,0.63,1.0,0.5890531834692618,0.7178226303885957,0.25493454869440063,0.24514255362894935,0.45173822904530186
EOS-3-19632,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)n(C)n1,VRKWJJGLXDWTQX-UHFFFAOYSA-N,3,1,0.295,98,154,440.496,3.409,6,0.447,0.65,1.0,0.05103317113289014,0.11011925159344801,0.06271845658282503,0.06485162086217532,0.07218062504283462
EOS-3-19633,Cc1nc(-c2ccc(Cl)nn2)ccc1-c1nnc2cncc(-c3cncc(Cl)n3)n12,CSXIWHXUAZFEJN-UHFFFAOYSA-N,3,1,0.313,50,155,436.266,3.716,5,0.421,0.62,0.757,0.27940168597080395,0.27310499623055307,0.30248954835172365,0.4354739222808581,0.3226175382084847
EOS-3-19634,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)nc1,BMTPBKPGRAOFEH-UHFFFAOYSA-N,3,1,0.257,42,339,444.462,3.471,6,0.402,0.65,1.0,0.11823212939483244,0.0634723459666918,0.21920190528407923,0.23957405249811528,0.16012010828592968
EOS-3-19635,Cc1cnnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)c2)n1,CPQJHWQBRAIVOT-UHFFFAOYSA-N,3,1,0.265,64,495,444.462,3.471,6,0.402,0.65,1.0,0.09510143238982935,0.048154684394489757,0.15578096086628743,0.19019429785484201,0.12230784387636212
EOS-3-19636,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cs2)cn1,NTXGIJJYQFXMJM-UHFFFAOYSA-N,3,1,0.536,4,391,441.879,4.02,5,0.409,0.73,1.0,0.5040949900623672,0.7269978068672469,0.5566702076622576,0.5888390103488452,0.5941505037351793
EOS-3-19637,Cn1nc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1-c1cccc(C#N)c1,WMNWBORLHOHAAG-UHFFFAOYSA-N,3,1,0.385,19,616,427.855,4.509,5,0.419,0.79,1.0,0.3981306970050031,0.4546467000205606,0.7636214104585018,0.8143290384483586,0.607681961483106
EOS-3-19638,Cc1cc(-c2cncc(-c3nnc4cncc(Oc5ncc(Cl)cc5F)n34)c2)ncn1,KYGMVHPMZSRIIW-UHFFFAOYSA-N,3,1,0.333,2,422,434.822,3.932,5,0.419,0.68,1.0,0.6856538277020081,0.6742426838462066,0.607951819614831,0.582859296826811,0.6376769069974642
EOS-3-19639,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nn4)n23)cc1)N1CCOCC1,FJXPKCPHJJPFFO-UHFFFAOYSA-N,3,1,0.433,62,376,481.491,3.527,6,0.387,0.83,1.0,0.0347817147556713,0.017647865122335685,0.05309780001370708,0.1873757795901583,0.0732257898704681
EOS-3-19640,Fc1ccnc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)n1,AKCKENHOTGFPCY-UHFFFAOYSA-N,3,1,0.301,38,635,442.443,3.092,6,0.383,0.66,1.0,0.04065005825508875,0.15961037625933794,0.1062384346514975,0.14971557809608663,0.11405361181550269
EOS-3-19641,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)cc1,HRAMXGCQOWFGQU-UHFFFAOYSA-N,3,1,0.35,3,289,440.467,4.302,6,0.406,0.7,1.0,0.04065862517990542,0.1976560893701597,0.44627681447467615,0.5143581659927352,0.2997374237543691
EOS-3-19642,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(C#N)cn4)n23)c1,LZQANUSQYAGZIF-UHFFFAOYSA-N,3,1,0.468,87,349,424.428,1.87,5,0.4,0.7,1.0,0.43622781166472485,0.29878863683092316,0.24079055582208211,0.21337639640874512,0.2972958501816188
EOS-3-19643,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)cc1,PDYNDKPQVGVYKW-UHFFFAOYSA-N,3,1,0.287,42,369,447.506,4.137,6,0.394,0.73,1.0,0.1292063600849839,0.04454800904667261,0.3319683366458776,0.2866835720649716,0.1981015694606264
EOS-3-19644,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)c(F)c1,IZSJBNCTLIWPOI-UHFFFAOYSA-N,3,1,0.472,16,772,437.385,3.583,5,0.391,0.7,1.0,0.827265094921527,0.7178311973134124,0.8928877390172024,0.8614385580152149,0.8248556473168391
EOS-3-19645,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCc3ccc(C)cn3)n12,TVEHVCDIJVKRMU-UHFFFAOYSA-N,3,1,0.463,36,638,428.456,2.878,5,0.407,0.7,1.0,0.15385340278253717,0.08133438420944418,0.29518196148310605,0.1578113220478377,0.17204526763073125
EOS-3-19646,Fc1cccc(-c2nccnc2-c2nnc3cncc(Cc4ccnc(-c5cccnn5)c4)n23)c1,PHMHJKGBUPQCGS-UHFFFAOYSA-N,3,1,0.346,64,449,461.464,3.83,6,0.381,0.71,0.886,0.32138818449729284,0.26799910903981905,0.37703892810636697,0.4575337536837777,0.3559899938318141
EOS-3-19647,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)nn4)n23)nc1,PEASIRUHKPITQR-UHFFFAOYSA-N,3,1,0.316,63,108,408.372,2.473,5,0.54,0.86,0.996,0.11551641422794874,0.12648207799328354,0.18141319991775753,0.2306815845384141,0.16352331916935098
EOS-3-19648,Cc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,DQOFFTPVWDOXMH-UHFFFAOYSA-N,3,1,0.552,11,655,442.91,4.832,5,0.374,0.8,1.0,0.8461637310670962,0.8550047974778974,0.739916729490782,0.7325920087725311,0.7934193167020767
EOS-3-19649,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)nn1C,IXXNMVWKIQWAOI-UHFFFAOYSA-N,3,1,0.465,51,196,451.853,3.057,5,0.401,0.68,1.0,0.5663679665547255,0.644858131725036,0.1814217668425742,0.2102923034747447,0.40073504214927014
EOS-3-19650,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nccs6)cn5)n34)c2)nn1,FDQFATRDYCUMRS-UHFFFAOYSA-N,3,1,0.287,70,392,438.48,3.167,6,0.412,0.65,0.999,0.010605852923034748,0.023713247892536496,0.15284250565417037,0.15781988897265437,0.086245373860599
EOS-3-19651,CCc1ncc(-c2cn(C)c(C)n2)cc1-c1cncc2nnc(-c3ccc(CO)nc3)n12,UOZYLLCJUYIIQA-UHFFFAOYSA-N,3,1,0.322,82,974,426.484,3.012,5,0.46,0.67,1.0,0.2064371873072442,0.12287540264546638,0.19485470495510931,0.11798368857514907,0.16053774587074224
EOS-3-19652,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(-c2ccccc2)n1,NLRFSNYDVSYXBI-UHFFFAOYSA-N,3,1,0.316,9,834,431.463,4.009,6,0.449,0.68,1.0,0.1511376876156535,0.13309574395175108,0.3060962236995408,0.33341614693989446,0.23093645055170997
EOS-3-19653,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1F,KCSRPVKCARCNOE-UHFFFAOYSA-N,3,1,0.581,37,626,434.41,2.882,5,0.379,0.69,1.0,0.8439705983140292,0.722354533616613,0.5365122335686382,0.507376122267151,0.6525533719416078
EOS-3-19654,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1F,VXXFITWIASXWJJ-UHFFFAOYSA-N,3,1,0.538,24,56,427.443,3.712,5,0.408,0.73,1.0,0.8643598793776985,0.855013364402714,0.4915872798300322,0.4258275649372901,0.6591970221369338
EOS-3-19655,Cc1cccc(COc2cncc3nnc(-c4ccc(Cl)c(-c5cnnn5C)c4)n23)n1,NNLYTMXWJNDVFP-UHFFFAOYSA-N,3,1,0.517,4,677,432.875,3.523,5,0.419,0.68,1.0,0.3916883695428689,0.6118326365567816,0.4244225892673566,0.4195480090466726,0.4618729011034199
EOS-3-19656,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ncc(Cl)cn5)nc4)n23)cc1,SEAGXDYFEZKHHQ-UHFFFAOYSA-N,3,1,0.405,14,580,427.899,4.39,5,0.413,0.74,1.0,0.422632101980673,0.4589130285792612,0.41683229387978893,0.4699472277431293,0.44208116304571315
EOS-3-19657,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)nc1,MBWLQYPTHMZSPB-UHFFFAOYSA-N,3,1,0.446,7,535,451.372,3.089,5,0.384,0.66,1.0,0.682535467068741,0.7841220615447879,0.5397505311493387,0.47315125762456306,0.6198898293468578
EOS-3-19658,COc1cc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCc3cc(C)cc(C)n3)n12,YKAUKQRGSTWEDF-UHFFFAOYSA-N,3,1,0.462,4,248,457.469,3.987,5,0.377,0.75,1.0,0.7190991021862793,0.5446850798437393,0.477717428551847,0.3116133232814749,0.5132787334658351
EOS-3-19659,Cn1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)nc2)n1,WKQVZXJBFYEXAA-UHFFFAOYSA-N,3,1,0.517,27,412,454.372,3.515,5,0.384,0.73,1.0,0.614531217874032,0.8008018641628402,0.7706120211089027,0.6832122541292578,0.7172893393187582
EOS-3-19660,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccc5F)c4)n23)n(C)n1,QFXBFJBAVHVYGU-UHFFFAOYSA-N,3,1,0.489,4,911,433.422,3.752,5,0.42,0.68,1.0,0.5091066410801178,0.5634123774929751,0.6170070591460489,0.5828678637516277,0.5680984853676925
EOS-3-19661,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)cn1,MJIIHQOVWNAZAA-UHFFFAOYSA-N,3,1,0.396,18,720,462.876,3.761,5,0.375,0.71,0.985,0.6313395243643342,0.6212476869302995,0.45695976972106095,0.469955794667946,0.5448756939209102
EOS-3-19662,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)ccc2F)cn1,SDPBNISHXXNABA-UHFFFAOYSA-N,3,1,0.5,73,795,462.876,3.761,5,0.375,0.71,1.0,0.909918785552738,0.907854156671921,0.42443115619217325,0.45754232060859434,0.6749366047563566
EOS-3-19663,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)c4)n23)nc1,VISMXPHXRSXUBJ-UHFFFAOYSA-N,3,1,0.418,54,915,416.832,3.271,5,0.43,0.73,1.0,0.7126739085737783,0.7223631005414296,0.42046467000205606,0.46060071276814474,0.5790255979713522
EOS-3-19664,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)nc1,ZONWSUYYOLZMOW-UHFFFAOYSA-N,3,1,0.314,70,968,451.429,2.64,6,0.372,0.65,1.0,0.18997155780960867,0.25735898841751764,0.222662942910013,0.26904427386745255,0.23475944075114796
EOS-3-19665,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)cn4)n23)nc1,AQVFLEXZBBMXMH-UHFFFAOYSA-N,3,1,0.287,70,968,451.429,2.64,6,0.372,0.65,1.0,0.1727691727777397,0.2371753135494483,0.19825577410732642,0.2510794325269001,0.21481992324035365
EOS-3-19666,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cn1,XWPUUNYVBYFWLO-UHFFFAOYSA-N,3,1,0.466,13,145,434.381,4.766,5,0.406,0.79,1.0,0.7640154890000685,0.8008104310876568,0.9244911246658899,0.9127030361181551,0.8505050202179426
EOS-3-19668,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1F,CZTUXBHQCJJUQW-UHFFFAOYSA-N,3,1,0.617,35,393,433.422,3.487,5,0.408,0.67,1.0,0.8848433966143513,0.8086920019189912,0.6610239188540882,0.6220187101637996,0.7441445068878075
EOS-3-19669,c1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cccnn6)n5)n34)cc2)nc1,YQTAVXAYQKPGLM-UHFFFAOYSA-N,3,1,0.432,81,59,449.434,3.272,6,0.373,0.75,1.0,0.42734391062984034,0.35268316085258034,0.13776471797683504,0.15493283530943733,0.26818115619217325
EOS-3-19670,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1cnccn1,SRGUYSSXRAIAIV-UHFFFAOYSA-N,3,1,0.489,4,248,443.442,3.678,5,0.392,0.7,1.0,0.7432920978685491,0.6398721814817353,0.5857806181892947,0.422760605852923,0.5979263758481256
EOS-3-19671,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cc(F)cnn6)n5)n34)cc2)n1C,QBTSJBSAWIFEEV-UHFFFAOYSA-N,3,1,0.291,98,973,454.433,2.072,6,0.393,0.62,1.0,0.04211500239873895,0.17150983482968954,0.0567901446096909,0.07764203961346035,0.08701425536289494
EOS-3-19672,Fc1cc(-c2nc[nH]n2)ncc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,PXJWEYQGNRWYCR-UHFFFAOYSA-N,3,1,0.313,38,7,435.426,3.84,6,0.448,0.62,1.0,0.3062332944966075,0.35269172777739705,0.5466726064012062,0.5797066684942773,0.44632607429237203
EOS-3-19673,Fc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)c1F,XOICSQZJJFILSR-UHFFFAOYSA-N,3,1,0.477,2,884,435.369,3.64,5,0.389,0.72,1.0,0.8166164073744089,0.8087005688438078,0.9227606058529231,0.908188266739771,0.8640664622027278
EOS-3-19674,N#Cc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cn1,OZBVOSDZWPDVEP-UHFFFAOYSA-N,3,1,0.245,39,952,444.422,2.158,6,0.396,0.62,0.727,0.01889006922075252,0.03128640943047084,0.0665821396751422,0.11087314097731478,0.05690793982592009
EOS-3-19676,c1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)c1,DWYZSWSSPUTSPQ-UHFFFAOYSA-N,3,1,0.343,42,983,419.408,3.36,6,0.423,0.75,1.0,0.1953087519703927,0.13679665547255157,0.317336029059009,0.32375265574669315,0.2432985230621616
EOS-3-19677,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)s4)n23)nc1,JRKRCMYWHFKXDO-UHFFFAOYSA-N,3,1,0.317,98,314,456.47,3.306,6,0.397,0.66,0.989,0.06491158933589199,0.23213796175724763,0.11455691864848194,0.1902028647796587,0.15045233363032007
EOS-3-19678,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)s2)n1,BCHKYMGHESQMFN-UHFFFAOYSA-N,3,1,0.31,39,972,456.47,3.306,6,0.397,0.66,0.944,0.1182406963196491,0.23718388047426495,0.0892844904393119,0.1682715372489891,0.15324515112055376
EOS-3-19679,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)ncn2)n1,TVEPIUNTFBAXRY-UHFFFAOYSA-N,3,1,0.297,70,813,434.427,1.896,6,0.404,0.66,0.969,0.03224590500993763,0.014692276060585293,0.03843122472757179,0.04908847919950655,0.03361447124940031
EOS-3-19680,COc1cc(-c2nnc3cncc(-c4cc(F)c(-c5nc[nH]n5)nc4C)n23)ccc1Cl,MMWBKQXRTUMYGE-UHFFFAOYSA-N,3,1,0.324,22,844,436.838,3.748,5,0.457,0.62,1.0,0.44334692618737576,0.5680984853676924,0.5365208004934549,0.5408042629017887,0.5221926187375779
EOS-3-19681,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,IEXHLMHARHXNRV-UHFFFAOYSA-N,3,1,0.294,86,812,421.428,2.434,6,0.46,0.66,0.996,0.1426735658967857,0.0971660612706463,0.12322664656294977,0.11567061887464876,0.11968422315125764
EOS-3-19682,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(F)c5)cn4)n23)cc1F,YGXSYQMSKNDHOJ-UHFFFAOYSA-N,3,1,0.478,73,401,431.406,3.809,5,0.418,0.68,1.0,0.7894849564800219,0.7499485984511,0.7662171886779522,0.7297477897333973,0.7588496333356178
EOS-3-19683,Clc1cnc(COc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)nc1,ZLEJBVHPGXZETO-UHFFFAOYSA-N,3,1,0.47,2,419,416.832,3.271,5,0.43,0.76,1.0,0.5450363237612227,0.6303800287848674,0.3954920841614694,0.4448290041806593,0.5039343602220547
EOS-3-19684,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2F)nn1C,ZGYPSKOMFNKTOM-UHFFFAOYSA-N,3,1,0.693,59,96,451.412,3.892,5,0.403,0.71,1.0,0.8319940374203276,0.8454955109313961,0.7475070248783496,0.7297563566582139,0.7886882324720719
EOS-3-19685,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(C(F)F)cn4)n23)nc1,CMRGGPXNLYQGQQ-UHFFFAOYSA-N,3,1,0.323,63,108,408.372,2.473,5,0.54,0.85,0.996,0.13201631142485093,0.15199438009732028,0.1912908642313755,0.23069015146323077,0.17649792680419438
EOS-3-19686,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)cc1,VCXZSJRJUSQAOO-UHFFFAOYSA-N,3,1,0.553,15,320,432.875,3.257,5,0.38,0.7,1.0,0.8686690425604825,0.7797614968131039,0.2881570831334384,0.2748697827427867,0.5528643513124529
EOS-3-19687,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,DRFWIWYVPZQJMP-UHFFFAOYSA-N,3,1,0.288,10,195,419.452,3.44,6,0.435,0.74,0.999,0.013073127270235076,0.040932766774038794,0.33919882119114525,0.3367486806935782,0.18248834898224933
EOS-3-19688,OCc1cc(-c2nnc3cncc(OCc4cccc(-c5csnn5)c4)n23)ccc1Cl,VURDAGIBEZWYRD-UHFFFAOYSA-N,3,1,0.541,43,909,450.911,4.035,5,0.417,0.74,1.0,0.6733859913645398,0.7409961620176821,0.7706205880337195,0.7758549790967034,0.7402144301281612
EOS-3-19689,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)nc2)ccn1,DXBRUFDAVHWBHS-UHFFFAOYSA-N,3,1,0.323,32,687,446.449,4.511,6,0.368,0.79,1.0,0.25810431087656777,0.36210677815091497,0.6635511616750052,0.6771554382838736,0.4902294222465904
EOS-3-19690,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccccc4OCc4cccc(Cl)n4)n23)cc1,SOXOXWSGLHMIDJ-UHFFFAOYSA-N,3,1,0.37,62,3,470.92,4.445,5,0.368,0.83,1.0,0.5165255979713522,0.4546552669453773,0.6551041738057707,0.5637036529367419,0.5474971729148105
EOS-3-19691,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)s1,KGRNZIHHXYTEJB-UHFFFAOYSA-N,3,1,0.5,72,628,435.9,4.246,5,0.407,0.73,1.0,0.5830906037968611,0.5832448084435611,0.3770474950311836,0.41634397916523885,0.4899317216092111
EOS-3-19692,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ccnn5C5CC5)n4)n23)nc1,HCGHUSUBFLIYHR-UHFFFAOYSA-N,3,1,0.234,99,813,450.47,2.57,7,0.424,0.64,0.812,0.017150983482968955,0.028493591940237133,0.009355081899801247,0.019772462476869302,0.01869302994996916
EOS-3-19693,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnco6)n5)n34)cn2)cn1,BCMRUNZTKZLSDQ-UHFFFAOYSA-N,3,1,0.308,32,392,448.446,3.974,6,0.386,0.71,1.0,0.35744637105064764,0.1715184017545062,0.3991330272085532,0.3020012336371736,0.30752475841272015
EOS-3-19694,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnn5)n4)n23)cc1,RMPFMBLPEFNKAM-UHFFFAOYSA-N,3,1,0.324,98,865,433.439,2.501,6,0.412,0.61,1.0,0.0927198272907957,0.03733465835103831,0.14654581591391955,0.1605013364402714,0.10927540949900624
EOS-3-19695,c1c[nH]c(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccncn6)cn5)n34)cc2)c1,NEIHOAPSOKUARD-UHFFFAOYSA-N,3,1,0.411,40,518,447.462,3.612,6,0.411,0.65,1.0,0.6548557329860873,0.45892159550407785,0.40638921252827087,0.37536837776711673,0.47388372969638815
EOS-3-19696,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)c5)ccn4)n23)cn1,WBLDKASERAFOIP-UHFFFAOYSA-N,3,1,0.593,1,92,428.883,4.789,5,0.4,0.82,1.0,0.5578010417380577,0.762661914879035,0.7587468302378179,0.7637584812555686,0.7107420670276198
EOS-3-19697,Cc1ccc(-c2nnc3cncc(-c4ccc(F)cc4OCc4cncc(F)c4)n23)cn1,FKPYEFRXBJRAOI-UHFFFAOYSA-N,3,1,0.359,96,46,430.418,4.414,5,0.411,0.76,0.999,0.5552994996915908,0.6448666986498527,0.8823332876430676,0.84952196559523,0.7330053628949353
EOS-3-19698,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ncccn6)n5)n34)cc2)nc1,RNIICXVKWNVAON-UHFFFAOYSA-N,3,1,0.432,28,59,459.473,3.679,6,0.368,0.7,1.0,0.5830991707216777,0.4677455280652457,0.2262353505585635,0.21896203138921252,0.37401052018367487
EOS-3-19699,c1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)c1,LLOGGFPEWNHGGD-UHFFFAOYSA-N,3,1,0.26,70,957,418.424,2.891,6,0.429,0.73,1.0,0.0017305188129668975,0.007290453018984305,0.26566033856486876,0.3054365704886574,0.14502947022136936
EOS-3-19700,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCc5ncc(F)cn5)cn4)n23)nc1,NDGYJOCSOZGHOR-UHFFFAOYSA-N,3,1,0.323,33,432,470.428,1.206,5,0.371,0.68,0.998,0.23945411555068194,0.1406003700911521,0.077522102666027,0.03992186964567199,0.12437461448838324
EOS-3-19701,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)c(F)c1,ALBZMYJPMRNBGD-UHFFFAOYSA-N,3,1,0.325,38,314,439.414,3.443,6,0.411,0.64,1.0,0.2581128778013844,0.34318244123089575,0.4168408608046056,0.4258361318621068,0.3609930779247481
EOS-3-19702,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccnnc4-c4ccccc4)n23)cc1,KUPHLJWKTSFULS-UHFFFAOYSA-N,3,1,0.371,9,98,431.463,3.711,6,0.419,0.65,1.0,0.09747447056404633,0.034473305462271266,0.31339524364334176,0.34957336714412995,0.19872909670344735
EOS-3-19703,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nn1,SUKQYLSVPQICAD-UHFFFAOYSA-N,3,1,0.329,30,945,431.463,3.711,6,0.419,0.67,0.987,0.112569392091015,0.05552223973682407,0.24079912274689877,0.2839849907477212,0.17321893633061475
EOS-3-19704,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)nn5)n34)cc2)n1C,PFJAYECWNSJYRM-UHFFFAOYSA-N,3,1,0.43,52,229,481.52,2.43,6,0.384,0.81,1.0,0.04354567884312247,0.002201699677883627,0.0033753683777671168,0.005911178123500788,0.013758481255568502
EOS-3-19705,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ncccn6)n5)n34)cc2F)n1,DTNHFSTYFIIZFH-UHFFFAOYSA-N,3,1,0.31,8,765,440.406,1.764,6,0.402,0.6,1.0,0.031097937084504146,0.202393598793777,0.05310636693852375,0.06824412308957577,0.08871050647659516
EOS-3-19706,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)n4)n23)c(Cl)c1,STPVJDIRDDSCBB-UHFFFAOYSA-N,3,1,0.489,20,279,451.853,2.791,5,0.387,0.65,1.0,0.6174868069357823,0.6448752655746693,0.2692156123637859,0.3270680556507436,0.46466143513124525
EOS-3-19707,Cn1cncc1-c1nc(Cc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)ccc1F,VXFMICFZQINMPD-UHFFFAOYSA-N,3,1,0.374,85,81,444.861,3.842,5,0.417,0.67,1.0,0.37349222123226644,0.4993403467891166,0.7729422246590364,0.8033805085326571,0.6122888253032691
EOS-3-19708,FC(F)c1cnc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)cn1,ODQOYJOPULKKCO-UHFFFAOYSA-N,3,1,0.483,7,420,433.382,2.95,5,0.398,0.65,1.0,0.5475978342814063,0.5082756493729012,0.4427558083750257,0.33675724761839493,0.45884663491193195
EOS-3-19709,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C(F)F)n5)n34)c2)nc1,XQRKCTZRDHGVMH-UHFFFAOYSA-N,3,1,0.442,2,422,450.384,3.694,5,0.386,0.72,1.0,0.6201082859296827,0.7132307586868618,0.677275375231307,0.6038653964772805,0.653619954081283
EOS-3-19710,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)cn4)n23)cn1,OMMSNZXQQWPVSP-UHFFFAOYSA-N,3,1,0.556,27,69,431.406,4.16,5,0.399,0.74,1.0,0.5890617503940785,0.644883832499486,0.8384363648824618,0.7509166609553835,0.7058246521828524
EOS-3-19711,Cc1ncc(-c2cccc(-c3nnc4cncc(Cc5ccc(F)c(F)c5)n34)c2)nn1,CJMPWCIXMBXLMW-UHFFFAOYSA-N,3,1,0.379,14,358,415.407,3.821,5,0.444,0.78,1.0,0.4044616544445206,0.4458142005345761,0.7545062024535673,0.7663114248509355,0.5927733705709
EOS-3-19712,Cc1ncc(-c2cc(Cl)c(-c3nnc4cncc(-c5cnn(C(F)F)c5)n34)cn2)o1,QTKXWKZEWOSCAX-UHFFFAOYSA-N,3,1,0.306,50,243,428.79,4.062,5,0.425,0.71,1.0,0.13968370913576864,0.37674765266260024,0.7140017819203619,0.6800767596463574,0.4776274758412721
EOS-3-19713,Cc1ncc(-c2nnc3cncc(Oc4ncc(-c5csc(C)n5)cc4F)n23)cn1,NXDYUBDRDLZDCT-UHFFFAOYSA-N,3,1,0.367,51,282,420.433,3.648,5,0.434,0.77,1.0,0.5372832568021383,0.5264974984579536,0.2370382427523816,0.1656157905558221,0.3666086971420739
EOS-3-19714,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5ncc(F)c(C)n5)nc4)n23)c1,UVNKWUJBNFVYPK-UHFFFAOYSA-N,3,1,0.489,7,85,444.43,3.073,5,0.39,0.69,1.0,0.7341940237132479,0.7456051675690494,0.31340381056815847,0.19827290795695976,0.49786897745185393
EOS-3-19715,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nccs6)nc5)n34)cn2)nc1,GJYMPPFGLSSPRR-UHFFFAOYSA-N,3,1,0.307,32,191,435.476,3.829,6,0.411,0.69,1.0,0.07466074977725995,0.16351689397573846,0.16530738126242203,0.18478856829552465,0.14706839832773627
EOS-3-19716,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)cn2)ncn1,MUGPBOJOKCJQLW-UHFFFAOYSA-N,3,1,0.521,65,981,444.886,3.622,5,0.391,0.67,1.0,0.7867949420875883,0.8351209649784114,0.4353625522582414,0.42584469878692344,0.6207807895277911
EOS-3-19717,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)c2)n(C)n1,FASUOPKAHSALSJ-UHFFFAOYSA-N,3,1,0.558,37,161,448.437,3.19,5,0.394,0.66,1.0,0.6201168528544994,0.6212562538551162,0.4129771777122884,0.3972997052977863,0.5129124974299226
EOS-3-19718,Cc1nsc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nn2)n1,CAHFMOZPNAIEKR-UHFFFAOYSA-N,3,1,0.402,85,886,443.496,2.292,5,0.422,0.62,1.0,0.11257795901583167,0.1002758549790967,0.01673120416695223,0.010657254471934755,0.060060568158453835
EOS-3-19719,Cc1ccc(-c2ccnc(-c3nnc4cncc(COc5cc(F)cc(Cl)c5)n34)c2)nn1,KJUWFSLEZBJUGP-UHFFFAOYSA-N,3,1,0.347,14,189,447.861,4.323,5,0.396,0.72,0.999,0.38493763278733467,0.485144952367898,0.6907168802686587,0.7138989788225618,0.5686746110616133
EOS-3-19721,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)n6C)cn5)n34)cc2)n(C)n1,NCGNLLFOLGRKTQ-UHFFFAOYSA-N,3,1,0.32,98,882,463.509,3.061,6,0.391,0.66,1.0,0.08310773764649441,0.07440374203275991,0.03568124186142142,0.02743986018778699,0.05515814543211568
EOS-3-19722,Fc1c(Cl)ccc(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1F,HFEZNIAWDJUJKU-UHFFFAOYSA-N,3,1,0.506,23,281,422.222,4.393,4,0.447,0.74,1.0,0.8938215338222192,0.9317987115345076,0.9509800561990268,0.9680025358097457,0.9361507093413748
EOS-3-19723,COc1ncncc1-c1nc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ccc1F,LHDZIKLVBGEZRY-UHFFFAOYSA-N,3,1,0.495,89,731,472.44,2.469,5,0.378,0.71,0.999,0.6002672880542801,0.31394352683160853,0.3209255705571928,0.17932287026249058,0.353614813926393
EOS-3-19724,Cc1cncc(-c2ncc(F)cc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)n1,MQGYNJVBGMPINC-UHFFFAOYSA-N,3,1,0.291,86,977,462.452,3.61,6,0.387,0.68,1.0,0.29049585360838875,0.3329792337742444,0.25149921184291685,0.27189705983140294,0.28671783976423826
EOS-3-19725,c1cncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1,QUILVCRLUQSCAW-UHFFFAOYSA-N,3,1,0.306,42,106,418.42,3.965,6,0.423,0.78,1.0,0.18998012473442533,0.11315194297854841,0.4535844013432938,0.457550887533411,0.30356683914741966
EOS-3-19726,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncs6)nn5)n34)cc2)c1,JWMUDTYOGFJXBE-UHFFFAOYSA-N,3,1,0.311,98,63,436.464,3.224,6,0.41,0.66,1.0,0.1261736686998835,0.16352546090055514,0.1465543828387362,0.19828147488177644,0.15863374683023784
EOS-3-19727,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)cc4Cl)n23)cc1,YDVUMRRRWWCRMW-UHFFFAOYSA-N,3,1,0.352,62,341,455.909,4.394,6,0.409,0.79,1.0,0.22015283393872936,0.2885597285998218,0.5329483928449044,0.6481992324035364,0.42246504694674797
EOS-3-19728,COc1ncc(Oc2cncc3nnc(-c4ccc(-c5cnc(C)cn5)nc4)n23)cc1F,JSUZVJJOFPXMSD-UHFFFAOYSA-N,3,1,0.424,55,85,430.403,3.287,5,0.414,0.67,1.0,0.7158865053800287,0.7037814406140772,0.36920875882393256,0.23958261942293194,0.5071148310602426
EOS-3-19729,Clc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)n1,WZTZPAAMPAODNT-UHFFFAOYSA-N,3,1,0.343,86,957,453.857,2.939,6,0.396,0.69,0.712,0.00045404701528339387,0.07083133438420944,0.21234836543074498,0.31475738468919195,0.14959778287985742
EOS-3-19730,Clc1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)c1,XTPKFOKLGXHKTP-UHFFFAOYSA-N,3,1,0.33,86,952,453.857,2.939,6,0.396,0.66,1.0,0.04212356932355562,0.15961894318415462,0.15904495922143788,0.27805667877458706,0.1597110376259338
EOS-3-19731,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)n1,LXDJEWNRLXQVCQ-UHFFFAOYSA-N,3,1,0.279,10,952,453.857,2.939,6,0.37,0.7,0.879,0.013818449729285176,0.1069837571105476,0.11456548557329861,0.2277516962511137,0.11577984716606127
EOS-3-19732,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,QOXCKNJUMIHKJL-UHFFFAOYSA-N,3,1,0.645,43,389,417.86,3.819,5,0.432,0.77,1.0,0.7922777739702557,0.7964412994311562,0.6079603865396477,0.6038739634020972,0.7001383558357892
EOS-3-19733,Cc1ncncc1-c1cc(F)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,PXXKUZPXLDNXGL-UHFFFAOYSA-N,3,1,0.517,7,94,448.849,3.718,5,0.4,0.69,1.0,0.6342094441779179,0.6792115002398739,0.6285638407237338,0.6134175176478651,0.6388505756973477
EOS-3-19734,Cc1cc(C)nc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ncn2)n1,QBJSXICNSZMTNE-UHFFFAOYSA-N,3,1,0.396,44,971,432.394,3.726,5,0.423,0.67,0.845,0.6313480912891508,0.5446936467685559,0.4569683366458776,0.4354824892056747,0.5171231409773147
EOS-3-19735,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)c5)n34)cc2)n1C,QUFCGCPTSPMFKG-UHFFFAOYSA-N,3,1,0.329,9,598,434.463,4.217,6,0.41,0.71,1.0,0.2092814063463779,0.07441230895757658,0.42784079226920707,0.37221574943458297,0.27093756425193616
EOS-3-19736,Cc1nc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)no1,PDEORHYYNYRTIV-UHFFFAOYSA-N,3,1,0.539,18,166,435.394,3.444,5,0.4,0.72,1.0,0.569169350969776,0.43261256939209103,0.4983979850592831,0.47883112877801387,0.494752758549791
EOS-3-19737,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cn1,MKTKNYIIDLCWHS-UHFFFAOYSA-N,3,1,0.308,10,37,420.44,2.834,6,0.432,0.7,0.775,0.015351929271468714,0.01470084298540196,0.14365019532588583,0.16562435748063875,0.08483183126584881
EOS-3-19738,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)s2)n1,VWJKFXZBRSQCDJ-UHFFFAOYSA-N,3,1,0.305,39,972,456.47,3.306,6,0.397,0.67,0.912,0.14519224179288603,0.2573675553423343,0.09600952642039613,0.17632444657665686,0.1687234425330683
EOS-3-19739,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1Cl,YJEXHDCBSIVDMR-UHFFFAOYSA-N,3,1,0.549,16,353,435.85,3.958,5,0.389,0.71,1.0,0.829561030772394,0.7626704818038517,0.7522274004523336,0.7379720375573984,0.7706077376464944
EOS-3-19740,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5cnccc5F)n34)ccn2)nc1,WOAJLXPLAMMOIZ-UHFFFAOYSA-N,3,1,0.478,75,420,430.403,2.249,5,0.432,0.67,1.0,0.8415718593653622,0.5780446850798437,0.4638475772736618,0.4004780344047701,0.5709855390309094
EOS-3-19741,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ncc5F)n34)cn2)cn1,BGNVSSPXURPELV-UHFFFAOYSA-N,3,1,0.415,55,434,453.8,2.944,5,0.37,0.72,1.0,0.7754266328558701,0.8580631896374478,0.45697690357069426,0.4788396957028305,0.6423266054417107
EOS-3-19742,Cn1nccc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,KALGCMSGSXASIK-UHFFFAOYSA-N,3,1,0.566,4,391,435.85,3.958,5,0.415,0.69,1.0,0.6458176273045028,0.7964498663559728,0.7884055239531218,0.7735504763210198,0.7510558734836542
EOS-3-19743,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ccc2F)s1,STNUAIXNFYIFKR-UHFFFAOYSA-N,3,1,0.689,43,372,436.447,4.475,5,0.404,0.79,1.0,0.9415735727503255,0.9099016517031047,0.6989239942430265,0.7164861901171955,0.8167213522034131
EOS-3-19744,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(CC#N)cc4F)n23)cc1,TYWDJXOYTMWSEH-UHFFFAOYSA-N,3,1,0.411,0,999,411.4,2.917,4,0.504,0.79,1.0,0.34824549379754643,0.357746213419231,0.835155232677678,0.7611627030361181,0.5755774107326435
EOS-3-19745,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)ccn2)cn1,DNPNHCGKUPHKIN-UHFFFAOYSA-N,3,1,0.512,65,454,445.874,3.017,5,0.363,0.7,1.0,0.8062418614214242,0.745613734493866,0.26208793091631827,0.22776026317593037,0.5104259475018847
EOS-3-19746,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)nc1,RVJDSRFFEZFRCI-UHFFFAOYSA-N,3,1,0.438,46,62,418.848,3.214,5,0.432,0.73,1.0,0.4815382770200809,0.44121376190802547,0.46385614419847854,0.4512027962442602,0.45945274484271126
EOS-3-19747,COc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cccnc1,VGZCDTURLLOXGW-UHFFFAOYSA-N,3,1,0.534,72,224,445.87,3.884,5,0.388,0.71,1.0,0.654864299910904,0.6840261119868412,0.582627989856761,0.5273027893907203,0.6122052977863066
EOS-3-19748,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cccc(-c4cnn(C)c4)c3)n12,FVFGKFOVOSXKRO-UHFFFAOYSA-N,3,1,0.337,52,341,465.517,3.76,6,0.41,0.7,1.0,0.09985607566307998,0.06348091289150846,0.3096429305736413,0.27487834966760333,0.18696456719895826
EOS-3-19749,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ncc(-c4ncc(C)nn4)cn3)n12,ORVMVJBGEBHEGX-UHFFFAOYSA-N,3,1,0.315,74,453,480.492,2.31,6,0.384,0.81,1.0,0.14268213282160236,0.05553080666164074,0.0220084298540196,0.01739085737783565,0.05940305667877459
EOS-3-19750,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccn4)n23)cc1,PMGOSBHGPGFGQM-UHFFFAOYSA-N,3,1,0.283,98,543,447.466,2.984,6,0.392,0.67,1.0,0.061476252484408196,0.0312949763552875,0.04126687684188884,0.06486018778699199,0.04972457336714413
EOS-3-19751,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)s2)nn1,HOBNMQBTGYJRJZ-UHFFFAOYSA-N,3,1,0.282,99,259,441.484,2.506,6,0.41,0.63,0.935,0.018898636145569185,0.06710472208895894,0.04127544376670551,0.04501062298677267,0.04307235624700157
EOS-3-19752,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4cccnc4F)nc3)n12,ACBVHTBZBLAJGB-UHFFFAOYSA-N,3,1,0.354,30,945,449.453,3.85,6,0.377,0.71,0.695,0.11824926324446576,0.257376122267151,0.2620964978411349,0.3334247138647111,0.24278664930436572
EOS-3-19753,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)cc1,UROCKBNGFPCHEQ-UHFFFAOYSA-N,3,1,0.483,44,130,443.898,4.227,5,0.388,0.74,0.977,0.7980004797477898,0.6937324378041259,0.5630354328010417,0.5828764306764443,0.6594111952573505
EOS-3-19754,COc1ccncc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)n1,DXVRWDITTFNBDD-UHFFFAOYSA-N,3,1,0.357,8,927,451.454,2.238,6,0.388,0.63,1.0,0.07281886094167637,0.06348947981632513,0.07080563360975944,0.057175656226440955,0.06607240764855048
EOS-3-19755,Cc1cccc(-c2nncnc2-c2cncc3nnc(-c4cc(F)ccc4CO)n23)n1,WRMXFFVKJYMBFE-UHFFFAOYSA-N,3,1,0.297,22,140,414.404,2.645,5,0.477,0.73,0.186,0.2635186073607018,0.3431910081557124,0.3692173257487492,0.4066376533479542,0.34564114865327944
EOS-3-19756,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccn5)n4)n23)cc1,HUMOFZDWJTZIKM-UHFFFAOYSA-N,3,1,0.364,93,757,446.449,4.511,6,0.393,0.72,1.0,0.2876602014940717,0.4589301624288945,0.5430830649030224,0.6277071482420671,0.4793451442670139
EOS-3-19757,COc1cnc(-c2ccc(-c3nnc4cncc(-c5ccnn5C(F)F)n34)cc2)nc1,XFXVVVBRAKQZNV-UHFFFAOYSA-N,3,1,0.37,50,856,420.383,3.516,5,0.429,0.76,1.0,0.3166935096977589,0.3577547803440477,0.6079689534644644,0.4788482626276472,0.4403163765334795
EOS-3-19758,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cnc5F)n34)cc2)cn1,UZDNLXHQZPQHHG-UHFFFAOYSA-N,3,1,0.554,15,519,449.877,4.001,5,0.364,0.76,1.0,0.8370485230621616,0.8280446850798437,0.7450054828318826,0.7244105955726132,0.7836273216366253
EOS-3-19760,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(F)ccn5)n4)n23)cn1,ICEHBECZAZKCJP-UHFFFAOYSA-N,3,1,0.448,7,85,457.429,2.116,5,0.407,0.61,1.0,0.5190528407922692,0.3767562195874169,0.17831197313412378,0.12686758961003358,0.30024715578096084
EOS-3-19761,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C#N)cc5C)n34)c(F)c2)nn1,XUSNEVTXJMGZSX-UHFFFAOYSA-N,3,1,0.366,61,124,421.439,4.543,5,0.425,0.79,0.999,0.3894952367898019,0.4719775889246796,0.8544308135151806,0.8322510451648276,0.6370386710986224
EOS-3-19762,Cc1ccnc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)ccc5F)n34)cn2)n1,HOXBCQDUQCWSRA-UHFFFAOYSA-N,3,1,0.456,13,110,433.834,4.537,5,0.411,0.77,1.0,0.7725310122678364,0.8698769789596327,0.6799139880748406,0.6945377287368926,0.7542149270098005
EOS-3-19763,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4OC(F)F)n23)cc1F,MBUFXRPOBIEDJI-UHFFFAOYSA-N,3,1,0.398,0,188,473.842,4.744,5,0.437,0.83,0.916,0.7609999314646014,0.8807398396271674,0.8916455349187855,0.9286717839764238,0.8655142724967446
EOS-3-19764,c1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)cn2)ccn1,VJEPEQDOAZGSGA-UHFFFAOYSA-N,3,1,0.291,86,723,418.424,2.891,6,0.429,0.7,1.0,0.004643273250633953,0.014709409910218628,0.28816565005825506,0.31162189020629155,0.1547850558563498
EOS-3-19765,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)nc1,IEFJSVCOZKHRBG-UHFFFAOYSA-N,3,1,0.28,94,165,430.435,3.162,6,0.415,0.66,0.996,0.09272839421561237,0.11316050990336508,0.2730193269823864,0.3020098005619903,0.19522950791583854
EOS-3-19766,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cn4)n23)cc1,UCUMHSZNXQZFEI-UHFFFAOYSA-N,3,1,0.418,56,318,449.478,3.78,6,0.395,0.71,1.0,0.47151497498457956,0.3038688232472072,0.32093413748200944,0.22776883010074703,0.3310216914536358
EOS-3-19767,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)c(C)c2)n1,LUCBDZRBSBWDNG-UHFFFAOYSA-N,3,1,0.282,25,213,460.505,3.723,6,0.391,0.7,1.0,0.08113734493866082,0.03734322527585498,0.2226715098348297,0.22182338427797957,0.14074386608183126
EOS-3-19768,Cn1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cc2)n1,WPVJCCOCJPGQKH-UHFFFAOYSA-N,3,1,0.358,85,740,412.417,1.066,5,0.451,0.78,0.988,0.11258652594064834,0.07442087588239325,0.0442310328284559,0.030198409978754028,0.06535921115756288
EOS-3-19769,COc1cc(COc2cncc3nnc(-c4cccc(-c5nnc(C)s5)c4)n23)ccn1,DVDPDYHFMVLFCX-UHFFFAOYSA-N,3,1,0.461,72,506,431.481,3.601,5,0.402,0.71,1.0,0.4155386882324721,0.30876910424234116,0.22268007675964635,0.1312024535672675,0.2695475807004318
EOS-3-19770,COc1cc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)ccc1-c1cscn1,OYOJISYLJXUZDI-UHFFFAOYSA-N,3,1,0.506,72,224,431.481,3.601,5,0.402,0.71,1.0,0.3482540607223631,0.2781080803234871,0.2843962031389213,0.16828010417380576,0.26975961208964433
EOS-3-19771,Clc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)nc3)n12,RQBCOTRNNAFHKA-UHFFFAOYSA-N,3,1,0.278,42,615,452.869,3.749,6,0.429,0.66,0.999,0.22016140086354602,0.2731135631553697,0.5091409087793846,0.5733071756562265,0.3939307621136317
EOS-3-19772,COc1cc(-c2nnc3cncc(OCc4ccc(C)cn4)n23)ccc1-c1ccccn1,LBELYVIMHLGQKF-UHFFFAOYSA-N,3,1,0.573,1,61,424.464,4.144,5,0.405,0.78,1.0,0.41788602563223903,0.22745185388253034,0.5597714344458913,0.39730827222260295,0.4006043965458159
EOS-3-19773,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,GGFAAORYDFLAEY-UHFFFAOYSA-N,3,1,0.412,65,466,445.874,3.017,5,0.388,0.64,0.934,0.5918974025083956,0.5780532520046604,0.2583870193955178,0.2809008978137208,0.42730964293057366
EOS-3-19774,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)cn2)n1,OQFYSLOHMZIHJO-UHFFFAOYSA-N,3,1,0.312,3,150,439.87,4.083,6,0.415,0.71,0.967,0.019892399424302654,0.14060893701596874,0.5262747584127202,0.5888475772736619,0.31890591803166335
EOS-3-19775,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)cn2)n1,LJBBSFGXKKNYCU-UHFFFAOYSA-N,3,1,0.274,99,286,436.443,1.839,6,0.406,0.62,0.988,0.05786957713659105,0.055539373586457406,0.0427403879103557,0.03745459529847166,0.04840098348296895
EOS-3-19776,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cc(F)n4)n23)n1,OIFPIECYTIVJKB-UHFFFAOYSA-N,3,1,0.447,11,769,427.443,3.712,5,0.382,0.75,0.982,0.6118240696319649,0.5038893838667672,0.38071413885271743,0.3527002947022137,0.4622819717634158
EOS-3-19777,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)nc1,PLSYKENGJDWMKR-UHFFFAOYSA-N,3,1,0.319,32,479,428.459,4.372,6,0.411,0.74,1.0,0.12921492700980056,0.14061750394078543,0.5466811733260228,0.5573384277979576,0.3434630080186416
EOS-3-19778,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6cncn6)n5)n34)nc2)ccn1,YAMZYJVPWTWNJA-UHFFFAOYSA-N,3,1,0.252,76,387,436.414,3.03,6,0.388,0.66,0.737,0.01715955040778562,0.11012781851826468,0.3916284010691522,0.4163525460900555,0.2338170790213145
EOS-3-19780,CCc1nc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1nccn1C,XKSWGDLBWGWPRV-UHFFFAOYSA-N,3,1,0.351,31,662,429.488,2.77,5,0.409,0.68,0.377,0.19531731889520937,0.11597046124323213,0.030558220821054076,0.012413474059351655,0.08856486875471181
EOS-3-19781,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncccn5)n4)n23)cc1,NTOIXQYPVOJNGK-UHFFFAOYSA-N,3,1,0.584,4,539,416.832,3.271,5,0.43,0.74,1.0,0.8461722979919128,0.9457285312864094,0.2656689054896854,0.33985847440202865,0.5993570522925091
EOS-3-19782,Cc1noc(COc2cncc3nnc(-c4cccc(-c5cc(=O)n(C)cn5)c4)n23)n1,LSJYGXWIGIIHIG-UHFFFAOYSA-N,3,1,0.432,4,506,416.401,1.822,5,0.421,0.76,1.0,0.30876910424234116,0.14423274621341922,0.07081420053457611,0.051598588170790216,0.14385365979028167
EOS-3-19783,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ncncc3-c3ccccc3)n12,YCCHVFDAMCSRFU-UHFFFAOYSA-N,3,1,0.301,30,498,452.478,4.573,6,0.387,0.82,0.997,0.10508189980124734,0.20240216571859365,0.5665478719758755,0.6595247070111713,0.38338916112672194
EOS-3-19784,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)ncn4C)n23)c(F)c1,KUKUACGHCYAHIN-UHFFFAOYSA-N,3,1,0.5,20,353,452.881,3.339,5,0.392,0.69,1.0,0.6488931533136865,0.6840346789116579,0.36178123500788156,0.3914656294976355,0.5215436741827153
EOS-3-19785,Cc1cnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cn1,UAELYAUDDBFSKP-UHFFFAOYSA-N,3,1,0.58,87,796,443.898,4.227,5,0.388,0.71,1.0,0.712682475498595,0.7841306284696046,0.49159584675484885,0.48806627373038175,0.6191188061133576
EOS-3-19786,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)nc2)s1,VYAOCHROHBPQML-UHFFFAOYSA-N,3,1,0.588,19,73,433.472,3.774,5,0.402,0.72,1.0,0.620125419779316,0.6303885957096841,0.28066959084367077,0.2989428414776232,0.4575316119525735
EOS-3-19787,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1,AGRQVPOVFLOWES-UHFFFAOYSA-N,3,1,0.31,42,327,431.463,3.711,6,0.419,0.64,1.0,0.18694743334932493,0.08134295113426085,0.3916369679939689,0.3658162565965321,0.2564359022685217
EOS-3-19788,Fc1cccc(OCc2cncc3nnc(-c4cccc(-c5cnncc5F)c4)n23)c1,BCUWWFAXZARESO-UHFFFAOYSA-N,3,1,0.423,14,18,416.391,4.106,5,0.429,0.85,1.0,0.5948444246453293,0.7037900075388939,0.8881502295935851,0.891971078061819,0.7696889349599069
EOS-3-19789,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)ncn1,URIUYGBUJPMAEK-UHFFFAOYSA-N,3,1,0.59,59,294,431.406,3.809,5,0.418,0.69,1.0,0.8140805976286752,0.7037985744637105,0.8369114522650949,0.7829740936193544,0.7844411794942088
EOS-3-19791,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ccn2)c(F)c1,ONYVOMVZJGPEDZ-UHFFFAOYSA-N,3,1,0.5,24,577,435.369,3.64,5,0.389,0.7,1.0,0.8686776094852992,0.7797700637379207,0.8301435816599273,0.8120331025974916,0.8226560893701598
EOS-3-19792,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nc(-c4cccnn4)no3)n12,CXUQPFUTJPVCRH-UHFFFAOYSA-N,3,1,0.511,73,29,424.783,3.003,5,0.419,0.73,1.0,0.6145397847988486,0.7797786306627373,0.27302789390720306,0.4033993557672538,0.5176864162840107
EOS-3-19793,CCOC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(CCOC)n4CC)n23)cc1,STMYBZSCIRMJER-UHFFFAOYSA-N,3,1,0.355,78,334,434.5,2.964,4,0.374,0.74,1.0,0.10509046672606401,0.00872112946336783,0.033068329792337744,0.013475772736618463,0.04008892467959701
EOS-3-19794,Cc1cnnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5cnc(C)nn5)c4)n23)c1,PASFOKUBNHSPKV-UHFFFAOYSA-N,3,1,0.462,36,534,445.874,3.283,5,0.401,0.65,1.0,0.5718593653622096,0.805008224247824,0.27716571859365363,0.29587588239325613,0.4874772976492358
EOS-3-19795,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)nc5F)n34)c2)cn1,XBDIHXIMZQSOTG-UHFFFAOYSA-N,3,1,0.549,15,438,433.422,3.487,5,0.381,0.71,1.0,0.6145483517236653,0.540050373517922,0.7193818107052292,0.6595332739359879,0.6333784524707011
EOS-3-19796,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)nc2)n(C)n1,ZOKPNUOKRXQPRL-UHFFFAOYSA-N,3,1,0.306,99,968,449.482,2.753,6,0.403,0.64,1.0,0.09510999931464602,0.05942019052840792,0.0687410047289425,0.05160715509560688,0.06871958741690083
EOS-3-19797,Cc1nn(-c2cncnn2)cc1-c1cncc2nnc(-c3nncnc3-c3cccc(F)c3)n12,PPYZPIOKYPNFRO-UHFFFAOYSA-N,3,1,0.287,99,356,452.417,2.129,6,0.391,0.63,0.664,8.56692481666781e-05,0.04455657597148927,0.09371359056952916,0.1656329244054554,0.07599719004866012
EOS-3-19798,Cn1cc(-c2cnc(Cl)c(-c3nnc4cncc(OCc5cccnc5F)n34)c2)cn1,SKKZVKKCJSYNTE-UHFFFAOYSA-N,3,1,0.443,92,36,436.838,3.353,5,0.39,0.7,1.0,0.5605253238297581,0.5882735933109451,0.652362757864437,0.6220272770886163,0.6057972380234391
EOS-3-19800,N#CCCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)nc1,NZZUFHSRHDRHTK-UHFFFAOYSA-N,3,1,0.357,63,505,419.836,1.864,4,0.369,0.75,1.0,0.12618223562470016,0.14062607086560208,0.11761531080803235,0.11088170790213145,0.1238263313001165
EOS-3-19801,Cn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,JHESPTLSJAOMFH-UHFFFAOYSA-N,3,1,0.325,8,608,450.441,3.245,6,0.376,0.69,1.0,0.1452008087177027,0.27312213008018643,0.16531594818723871,0.22456480021931327,0.20205092180111028
EOS-3-19802,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)[nH]4)n23)cn1,MHKZYIADWYJKEH-UHFFFAOYSA-N,3,1,0.33,98,407,455.873,3.087,6,0.429,0.64,0.615,0.15918203001850456,0.2731306970050031,0.15905352614625454,0.2690528407922692,0.21510477349050786
EOS-3-19803,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nn2)n(C)n1,APQXCQNTUFKAPG-UHFFFAOYSA-N,3,1,0.337,98,620,424.428,2.736,6,0.424,0.7,1.0,0.005028784867384004,0.026094852991570147,0.08672297991912822,0.08290213145089438,0.05018718730724419
EOS-3-19804,N#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)c(F)c1,DUDSDGDOOAQYSI-UHFFFAOYSA-N,3,1,0.478,4,712,448.805,3.479,5,0.396,0.7,1.0,0.7282828455897471,0.8050167911726407,0.737363785895415,0.7586268932903845,0.7573225789870468
EOS-3-19805,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(Cl)nn6)n5)n34)cc2)c1,KPGAIDPDMTUKKN-UHFFFAOYSA-N,3,1,0.298,98,882,455.873,2.883,6,0.398,0.66,1.0,0.026309026111986843,0.1635340278253718,0.16862278116647247,0.2277773970255637,0.14656080803234872
EOS-3-19806,Cn1cc(-c2ccc(-c3nnc4cncc(-n5cc(-c6cccc(Cl)c6)nn5)n34)nc2)nn1,BQYJBSYWWLVMEB-UHFFFAOYSA-N,3,1,0.463,10,813,455.873,2.883,6,0.398,0.66,0.99,0.0006939209101500926,0.09100644232746213,0.2016482763347269,0.3084949626482078,0.15046090055513672
EOS-3-19807,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5F)cn4)n23)cn1,ZXMJPMSURHMAAY-UHFFFAOYSA-N,3,1,0.279,70,72,468.431,3.384,6,0.387,0.69,0.924,0.17277773970255636,0.19766465629497634,0.45359296826811046,0.5005739839627168,0.33115233705709
EOS-3-19809,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5F)n34)c2)nc1,RDPRFBYROSZVJG-UHFFFAOYSA-N,3,1,0.49,84,76,431.406,3.543,5,0.38,0.73,1.0,0.8710763484339662,0.7714087451168529,0.6961997121513261,0.6859879377698581,0.7561681858680008
EOS-3-19810,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ccncc5)nc4)n23)ccc1Cl,JTMAFLWZONTKQN-UHFFFAOYSA-N,3,1,0.557,16,183,429.871,4.184,5,0.413,0.72,1.0,0.8643684463025153,0.8725241587279831,0.6408145432115687,0.6248629292029333,0.75064251936125
EOS-3-19811,COc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)on1,VRABHIAIJMDIAJ-UHFFFAOYSA-N,3,1,0.585,97,232,434.843,4.082,5,0.394,0.76,1.0,0.8370570899869783,0.8550219313275307,0.5126447810294017,0.46996436159276267,0.6686720409841684
EOS-3-19812,OCc1cc(COc2cncc3nnc(-c4cccc(Oc5ccccc5)c4)n23)ccn1,FFCFHMDNNCDUIE-UHFFFAOYSA-N,3,1,0.518,79,881,425.448,4.05,5,0.42,0.78,1.0,0.47670653142348024,0.3527002947022137,0.7165975601398122,0.6306970050030841,0.5441753478171476
EOS-3-19813,CN(C)CC#Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnn5)cn4)n23)cn1,CHPQMZSCUKCCHB-UHFFFAOYSA-N,3,1,0.35,82,412,449.478,2.744,5,0.374,0.7,1.0,0.4362363785895415,0.2940339935576725,0.3580289219381811,0.19306421766842574,0.3203408779384552
EOS-3-19814,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1F,LIEXNAWUEYBGQY-UHFFFAOYSA-N,3,1,0.529,59,607,436.397,4.188,5,0.413,0.7,1.0,0.9251764786512233,0.8127355904324584,0.9485127818518264,0.9342060174079913,0.9051577170858748
EOS-3-19815,Fc1ccc(CCOc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cc1Cl,SOZYFWFGXPTLIT-UHFFFAOYSA-N,3,1,0.631,84,360,447.861,4.057,5,0.387,0.72,1.0,0.8415804262901789,0.8580717565622644,0.6746367623877733,0.7217719827290796,0.7740152319923241
EOS-3-19816,N#Cc1ccc(-c2cnc(-c3nnc4cncc(OCCc5ccccc5F)n34)nn2)cn1,RIWZOCIEKYVSFU-UHFFFAOYSA-N,3,1,0.609,19,73,439.414,2.671,5,0.392,0.63,1.0,0.8394472620108286,0.7316753478171476,0.40963607703378796,0.44814440408470974,0.6072257727366185
EOS-3-19817,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cn4)n23)c1,ZXXYBAKOJXZJLR-UHFFFAOYSA-N,3,1,0.423,6,402,451.454,2.346,6,0.404,0.63,1.0,0.3641200054828319,0.26800767596463576,0.1345521211705846,0.13121102049208416,0.2244727057775341
EOS-3-19818,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)c(F)c1,OUUGGFQEVXARRT-UHFFFAOYSA-N,3,1,0.438,59,160,417.379,3.501,5,0.432,0.76,1.0,0.6145569186484819,0.5400589404427387,0.8384449318072784,0.8282245905009937,0.7053213453498732
EOS-3-19819,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5nccc(Cl)n5)cc4)n23)cc1,WLCBCQPRJFAQLL-UHFFFAOYSA-N,3,1,0.349,62,302,467.92,4.461,6,0.383,0.79,1.0,0.2581214447262011,0.2221317935713796,0.37320094578849977,0.47315982454937977,0.3316535021588651
EOS-3-19820,Fc1ccccc1Oc1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nn1,YEEPGMULRWRYOZ-UHFFFAOYSA-N,3,1,0.344,3,553,452.409,4.23,6,0.379,0.77,1.0,0.5691779178945926,0.5681070522925091,0.5498937701322734,0.5373774929751216,0.5561390583236241
EOS-3-19821,Clc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)n2)ncn1,JHWRSVITYCEDPW-UHFFFAOYSA-N,3,1,0.284,8,927,442.834,2.267,6,0.407,0.67,0.398,0.0322544719347543,0.12288396957028305,0.0752347337399767,0.14728257144815296,0.09441393667329176
EOS-3-19822,Cc1nnc(-c2cnc(COc3ccc(-c4nnc5cncc(C)n45)cc3)c(Cl)c2)s1,FLNLCVDMEHPXBY-UHFFFAOYSA-N,3,1,0.436,14,487,449.927,4.554,5,0.388,0.8,1.0,0.3849461997121513,0.4766636967993969,0.32094270440682615,0.32707662257556025,0.3774073058734837
EOS-3-19823,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(C(F)F)n4)n23)c(F)c1,KSJTUESVGCGHNN-UHFFFAOYSA-N,3,1,0.456,27,815,452.4,3.638,5,0.388,0.7,1.0,0.7069512027962442,0.7626790487286683,0.7297477897333973,0.6367880885477349,0.7090415324515112
EOS-3-19824,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccnc5Cl)n34)cc2F)n1,NDWJEYJURUSWNE-UHFFFAOYSA-N,3,1,0.512,16,772,435.85,3.958,5,0.389,0.74,1.0,0.7696782263038859,0.7085360838873278,0.7662257556027688,0.7586354602152011,0.7507688815022959
EOS-3-19825,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccncn6)n5)n34)cn2)n1,QOSQSOKSHREYLM-UHFFFAOYSA-N,3,1,0.274,86,852,436.399,1.854,6,0.395,0.63,1.0,0.21456719895826193,0.14063463779041877,0.020200808717702693,0.015583236241518745,0.09774647042697553
EOS-3-19826,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4cocn4)cc3)n12,HNQXZPQGIJBMCF-UHFFFAOYSA-N,3,1,0.312,8,474,421.424,3.304,6,0.426,0.68,1.0,0.11259509286546501,0.08135151805907752,0.14365876225070248,0.19559146048934276,0.13329920841614692
EOS-3-19827,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)ncc1Cl,RBWQIQYYRLRKKG-UHFFFAOYSA-N,3,1,0.549,75,183,433.834,4.015,5,0.413,0.68,1.0,0.6613323281474882,0.6937410047289425,0.7865465012679048,0.7900418065931053,0.7329154101843602
EOS-3-19828,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5ccccn5)s4)n23)cc1,NCRNPVXWKNPFMZ-UHFFFAOYSA-N,3,1,0.583,89,398,467.514,2.981,5,0.396,0.72,1.0,0.4767150983482969,0.25254437667055035,0.3134123774929751,0.16050990336508808,0.3007954389692276
EOS-3-19829,N#Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)cc1,QYUYDGGAMHOZGL-UHFFFAOYSA-N,3,1,0.5,43,230,423.411,3.838,5,0.423,0.7,1.0,0.795233363032006,0.7585669248166678,0.8558871907340141,0.8678037831539991,0.8193728154341717
EOS-3-19830,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cc2)n1,FZMYRWYNXPXKOG-UHFFFAOYSA-N,3,1,0.286,38,787,433.435,3.669,6,0.41,0.65,1.0,0.2257556027688301,0.13680522239736825,0.2771742855184703,0.24243540538688232,0.22054262901788776
EOS-3-19831,Cc1cc(-c2nnc3cncc(-c4nc(C)ncc4OCc4ncc(Cl)cn4)n23)ccn1,QUYREEMWTRBAMH-UHFFFAOYSA-N,3,1,0.323,51,48,445.874,3.283,5,0.401,0.66,1.0,0.47918237269549724,0.4145363580289219,0.1557895277911041,0.14478959632650265,0.2985744637105065
EOS-3-19832,c1cc(-c2nn[nH]n2)nc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1,DOCCQHMJCMJZRY-UHFFFAOYSA-N,3,1,0.324,38,865,419.412,2.49,6,0.457,0.66,1.0,0.08114591186347749,0.1264906449181002,0.17181824412308958,0.20448392844904392,0.1459846823384278
EOS-3-19833,CCc1nccc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)n1,HOZHNJKUILTFAS-UHFFFAOYSA-N,3,1,0.495,36,610,431.435,2.657,5,0.404,0.69,0.974,0.41333698855458845,0.5634209444177918,0.13157939825920087,0.10853437050236447,0.3042179254334864
EOS-3-19834,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cnc(C(F)F)cn5)cnn4)n23)cn1,AVKUWCCCCOUMBN-UHFFFAOYSA-N,3,1,0.366,85,290,431.41,3.27,5,0.417,0.63,1.0,0.29322870262490575,0.3087776711671578,0.5229336577342197,0.4354910561304914,0.3901077719141937
EOS-3-19835,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)nc1,WPZQCUHSVFMTSE-UHFFFAOYSA-N,3,1,0.273,99,866,454.433,1.978,6,0.392,0.6,1.0,0.09273696114042904,0.23719244739908163,0.13456068809540128,0.1737286683572065,0.15955469124802962
EOS-3-19836,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccnc6)ncn5)n34)cn2)c1,PAJJNDLTPVYQEZ-UHFFFAOYSA-N,3,1,0.361,32,20,446.449,4.511,6,0.393,0.73,1.0,0.22281714755671303,0.3670670276197656,0.6934068946610924,0.7244191624974299,0.5019275580837502
EOS-3-19837,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncn6)cc5)n34)cn2)nc1,SEOYMIAJGJMUCF-UHFFFAOYSA-N,3,1,0.316,32,20,446.449,4.511,6,0.393,0.73,1.0,0.3504643273250634,0.4145449249537386,0.7088359262559112,0.7164947570420122,0.5475849838941813
EOS-3-19838,c1ccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cccnc6)cn5)n34)cn2)cc1,INBAJWIIZZYGKG-UHFFFAOYSA-N,3,1,0.255,10,195,417.436,3.496,6,0.433,0.73,1.0,0.0015163456925502022,0.0060825166198341446,0.3355321773696114,0.38483482968953464,0.18199146734288257
EOS-3-19839,Cc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)n1,MMTXRQPXBHGSHC-UHFFFAOYSA-N,3,1,0.36,46,395,431.847,2.974,5,0.387,0.68,0.948,0.46666609553834554,0.5038979507915838,0.21235693235556163,0.2189705983140292,0.35047289424988004
EOS-3-19840,c1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cc2)nc1,KJHLUOSEDUVZSJ-UHFFFAOYSA-N,3,1,0.29,38,620,418.424,2.891,6,0.429,0.71,1.0,0.006382358988417517,0.017656432047152355,0.23704680967719827,0.2571448152971009,0.12955760400246727
EOS-3-19841,COc1nc(-c2nnc3cncc(OCc4cc(C)on4)n23)ccc1-c1ncccc1F,FWGVXWIMBLWIBG-UHFFFAOYSA-N,3,1,0.441,49,501,433.403,3.271,5,0.398,0.73,0.999,0.47672366527311355,0.4326211363169077,0.22624391748338016,0.15782845589747105,0.32335429374271807
EOS-3-19842,CCn1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nc(C)no6)nc5)n34)n2)n1,LGHCMQGBJJOBNX-UHFFFAOYSA-N,3,1,0.253,99,286,441.419,1.404,6,0.381,0.65,1.0,0.04644129943115619,0.05169282434377356,0.0033839353025837847,0.0010879994517168118,0.025651514632307585
EOS-3-19843,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5nncnc5-c5cccnc5)n34)c2)n1,SHKLBNRMUBELOT-UHFFFAOYSA-N,3,1,0.26,99,286,435.415,1.291,6,0.394,0.63,1.0,0.04507915838530601,0.014717976835035295,0.023139263929819753,0.03328250291275444,0.029054725515728873
EOS-3-19844,Cn1nc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cncnc4)cc3F)n12,JEKTXKYDXSQLAU-UHFFFAOYSA-N,3,1,0.455,4,817,436.838,3.353,5,0.417,0.69,1.0,0.4572853128640943,0.6167586183263656,0.6018607360701802,0.619251593448016,0.573789065177164
EOS-3-19845,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nn2)nc1,XGOSJMTZGLZGSW-UHFFFAOYSA-N,3,1,0.279,86,421,419.412,2.286,6,0.423,0.73,0.998,0.0011394010006168186,0.005568501130834076,0.1090826536906312,0.1333270509218011,0.062279401685970806
EOS-3-19846,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c(F)c2)n1,ALWKSCAOHONWSD-UHFFFAOYSA-N,3,1,0.359,9,867,448.465,4.455,6,0.396,0.73,1.0,0.22576416969364677,0.2987972037557398,0.6907254471934754,0.6595418408608046,0.4687071653759166
EOS-3-19847,CCn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cn4)n23)nc1,WHPPVXXXHQGSHZ-UHFFFAOYSA-N,3,1,0.238,99,813,449.482,2.927,6,0.394,0.65,1.0,0.05787814406140772,0.0285021588650538,0.0795181961483106,0.07191076691110959,0.059452316496470425
EOS-3-19848,Cn1nnc(-c2ccc(-c3nnc4cncc(Oc5ncc(F)cc5Cl)n34)cn2)n1,HLQGYHINDQOTSP-UHFFFAOYSA-N,3,1,0.389,36,728,424.787,2.357,5,0.427,0.7,1.0,0.5065708313343842,0.54967103008704,0.15285107257898706,0.21030087039956138,0.3548484510999932
EOS-3-19849,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(Cl)c5)c4)n23)c(C)c1,MAYWYHJIAHZVPL-UHFFFAOYSA-N,3,1,0.321,62,3,454.921,4.842,5,0.393,0.82,1.0,0.24766122952504968,0.26279041875128506,0.7450140497566994,0.702779110410527,0.48956120211089027
EOS-3-19850,Fc1cc(-c2ncnnc2-c2nnc3cncc(-c4ccc(F)c(Cl)c4)n23)ncn1,PKQCOGQNTFHDMN-UHFFFAOYSA-N,3,1,0.301,22,844,423.774,3.032,5,0.407,0.69,0.894,0.3036032485778905,0.4191539305051059,0.5665564389006922,0.7297649235830307,0.5047696353916798
EOS-3-19851,Cc1ncc(C)c(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)n1,CNPDZKMQRVYLML-UHFFFAOYSA-N,3,1,0.432,46,128,444.886,3.888,5,0.402,0.71,0.998,0.5397762319237887,0.6303971626345007,0.30965149749845794,0.2898790350215886,0.4424259817695839
EOS-3-19852,CCn1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)cn1,OVFXBIZJQPHQQG-UHFFFAOYSA-N,3,1,0.273,98,882,449.482,2.927,6,0.394,0.64,1.0,0.052660886848057024,0.026103419916386813,0.10110684668631348,0.09007264752244534,0.06748595024330067
EOS-3-19853,N#Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc(C(F)(F)F)n1,CTLRVONRYYHTEU-UHFFFAOYSA-N,3,1,0.536,68,255,449.755,3.843,4,0.436,0.66,0.999,0.9185028442190392,0.9715578096086629,0.9740422178054965,0.9507401823041601,0.9537107634843396
EOS-3-19854,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1-c1ccc(F)nc1,WOYDFCVGVINWDL-UHFFFAOYSA-N,3,1,0.305,9,7,438.43,3.178,6,0.42,0.65,1.0,0.0927455280652457,0.2221403604961963,0.4278493591940237,0.4258532657117401,0.29214712836680146
EOS-3-19855,Fc1cccc(-n2nccc2-c2ccc(-c3nnc4cncc(-c5cccnn5)n34)nn2)c1,LAQIQAQWXYXJDZ-UHFFFAOYSA-N,3,1,0.275,10,887,436.414,3.03,6,0.414,0.61,0.642,0.020980398876019463,0.14064320471523542,0.2806781577684874,0.3848433966143513,0.2067862894935234
EOS-3-19856,c1cc(-c2cncnc2)nc(-c2cncc3nnc(-c4nccnc4-c4cncnc4)n23)c1,XTGNGMAXDFMJFB-UHFFFAOYSA-N,3,1,0.257,94,165,431.423,2.557,6,0.41,0.63,0.958,0.059677198272907954,0.05942875745322459,0.13456925502021794,0.1656414913302721,0.10482917551915563
EOS-3-19857,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ncc(F)c(-c6ccccn6)n5)n34)cn2)n1,FWUNVTUKRZELBU-UHFFFAOYSA-N,3,1,0.31,86,812,452.413,3.203,6,0.392,0.64,1.0,0.3213967514221095,0.35270886162703036,0.09372215749434583,0.11567918579946543,0.2208767390857378
EOS-3-19859,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)n5)n34)nc2)n1C,TTYXGVGNYSGOLY-UHFFFAOYSA-N,3,1,0.267,99,259,449.482,2.753,6,0.403,0.62,0.687,0.06672777739702557,0.01930984853676924,0.06659070659995887,0.05288362689329038,0.051377989856761015
EOS-3-19860,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)cn1,KFIOYNAWNAGRKX-UHFFFAOYSA-N,3,1,0.711,91,660,442.91,4.832,5,0.374,0.81,1.0,0.8621924473990816,0.9301281611952573,0.7498543622781166,0.737980604482215,0.8200388938386676
EOS-3-19861,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cnn2)s1,MRHSNPNRIRGWBQ-UHFFFAOYSA-N,3,1,0.483,53,226,446.456,1.481,5,0.404,0.65,1.0,0.3757367555342334,0.2118429168665616,0.016020149407168803,0.0070762798985676105,0.15266902542663285
EOS-3-19862,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5ncc(F)cn5)[nH]4)n23)cn1,KECKVYQTNNCPIL-UHFFFAOYSA-N,3,1,0.277,99,286,440.406,1.968,6,0.435,0.59,0.806,0.20928997327119458,0.22214892742101294,0.07524330066479337,0.09391919676512919,0.15015034953053252
EOS-3-19863,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)nc1,GECMMFVTRWALQV-UHFFFAOYSA-N,3,1,0.449,18,361,421.424,2.531,5,0.406,0.69,1.0,0.6118326365567816,0.4371444726201083,0.39164553491878557,0.36582482352134876,0.45161186690425603
EOS-3-19864,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)c(F)c1,ZRNKRXYIEHWNMW-UHFFFAOYSA-N,3,1,0.484,15,563,443.486,4.139,5,0.376,0.77,1.0,0.6458261942293194,0.5590775135357412,0.3807227057775341,0.30850352957302446,0.47353248577890483
EOS-3-19865,COc1ncc(C)cc1COc1cncc2nnc(-c3ccc(-c4ncnn4C)c(F)c3)n12,ZSBUFLHRYKQJCM-UHFFFAOYSA-N,3,1,0.478,16,610,446.446,3.017,5,0.392,0.65,1.0,0.542449112466589,0.48982249331779865,0.3209512713316428,0.2044924953738606,0.38942884312247283
EOS-3-19866,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)cn1,KZVCXOYOFQLSGF-UHFFFAOYSA-N,3,1,0.56,75,441,430.859,3.579,5,0.416,0.65,1.0,0.49647042697553284,0.5929340004112124,0.46048934274552805,0.4382324720718251,0.4970315605510246
EOS-3-19867,N#Cc1ccc(F)c(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cc4Cl)n23)n1,OJCFWQCIOYWJHH-UHFFFAOYSA-N,3,1,0.279,45,46,445.82,4.719,5,0.399,0.77,1.0,0.3434394489753958,0.4898310602426153,0.9187769858131725,0.9481101363854431,0.6750394078541566
EOS-3-19868,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)nn5)ccn4)n23)c(F)c1,NXNTXFGSUJRLKT-UHFFFAOYSA-N,3,1,0.396,13,251,421.342,3.853,5,0.435,0.71,1.0,0.6063069700500309,0.6448923994243027,0.8431224727571791,0.8495305325200466,0.7359630936878898
EOS-3-19869,Cc1nnc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c(-c2cncnc2)n1,RKFVRIWUADGIHR-UHFFFAOYSA-N,3,1,0.295,94,608,445.45,2.866,6,0.399,0.62,1.0,0.0904838599136454,0.09410766911109589,0.10377116030429717,0.12254129257761634,0.1027259954766637
EOS-3-19870,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nnco6)nc5)n34)n2)n1C,VQPQBJNWQPKTKX-UHFFFAOYSA-N,3,1,0.282,76,14,437.427,2.402,6,0.404,0.61,0.881,0.08311630457131108,0.055547940511274076,0.02314783085463642,0.022145500651086288,0.045989394147076965
EOS-3-19871,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5cccc(F)c5F)n34)nc2)o1,BOPZCZODFCICBD-UHFFFAOYSA-N,3,1,0.529,4,10,421.367,3.402,5,0.425,0.73,1.0,0.667294907819889,0.6644763895552053,0.5534404770063738,0.517485093550819,0.6006742169830717
EOS-3-19872,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)n1,LWMQNCRXLYYMNQ-UHFFFAOYSA-N,3,1,0.553,15,846,430.859,3.313,5,0.378,0.69,1.0,0.9068860941676375,0.9251679117264067,0.35803748886299774,0.3689003495305325,0.6397479610718936
EOS-3-19873,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)nn2)c1,UPRLNFNWOKCDPT-UHFFFAOYSA-N,3,1,0.327,10,37,440.467,4.302,6,0.406,0.72,0.991,0.009937632787334658,0.1159790281680488,0.4742049893770132,0.5733157425810431,0.29335934822835996
EOS-3-19874,Cc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncn5C)c4)n23)n1,DNQGHNOEJVBQLE-UHFFFAOYSA-N,3,1,0.5,20,125,430.447,3.051,5,0.408,0.67,1.0,0.6945462956617092,0.572724624768693,0.3732095127133164,0.32074566513604275,0.49030652456994034
EOS-3-19875,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nc1,VRXOSILGGFXGGJ-UHFFFAOYSA-N,3,1,0.733,91,742,442.91,4.832,5,0.374,0.79,1.0,0.8790178877390172,0.9078627235967377,0.6437872661229525,0.6595504077856212,0.7725545713110821
EOS-3-19876,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Cl)cn1,YUGXTTSNCMUHRV-UHFFFAOYSA-N,3,1,0.608,36,32,453.293,3.868,5,0.399,0.67,1.0,0.8461808649167295,0.8580803234870811,0.5365293674182715,0.6566547871975875,0.7243613357549175
EOS-3-19877,Cn1cc(-c2cncc(-c3cncc4nnc(-c5cccnc5-c5cncnc5)n34)c2)cn1,RTWXJDWMEFWUGD-UHFFFAOYSA-N,3,1,0.265,94,967,432.451,3.106,6,0.418,0.64,0.997,0.04508772531012268,0.021460146665752862,0.3653793434308821,0.34299396888492906,0.19373029607292166
EOS-3-19878,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)n1,XSTZHCUNQJDMLV-UHFFFAOYSA-N,3,1,0.396,51,185,432.835,2.369,5,0.381,0.68,1.0,0.5217856898087863,0.635365979028168,0.07525186758961003,0.09204304023027894,0.33111164416421085
EOS-3-19879,Cn1ncnc1-c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1Cl,MQAFJRMYEZOOSH-UHFFFAOYSA-N,3,1,0.359,85,81,452.856,4.164,5,0.398,0.72,1.0,0.31898944554862585,0.4005294359536701,0.7193903776300459,0.7559711465972174,0.5487201014323898
EOS-3-19880,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,LZOIKWFWXMNFQQ-UHFFFAOYSA-N,3,1,0.32,9,834,417.436,3.7,6,0.466,0.77,1.0,0.16472483037488864,0.1442413131382359,0.3732180796381331,0.4258618326365568,0.2770115139469536
EOS-3-19881,CC(C)n1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cn1,QYIPANJJSUPHHJ-UHFFFAOYSA-N,3,1,0.505,31,579,445.462,3.181,5,0.376,0.74,0.997,0.5297186621890206,0.48983962716743196,0.14077170858748544,0.10004454800904668,0.3150936364882462
EOS-3-19882,CCc1nc(-c2cncc3nnc(-c4ccc(-c5ccc(C)nn5)cn4)n23)nc(C(F)F)n1,LCNHPBYRGNNNPS-UHFFFAOYSA-N,3,1,0.281,50,542,446.425,3.304,5,0.4,0.63,0.53,0.22577273661846345,0.23214652868206428,0.07753066959084368,0.06166472483037489,0.14927866493043657
EOS-3-19883,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnnn4-c4ccccc4F)n23)cc1,ZFXMBDMXYNRUMO-UHFFFAOYSA-N,3,1,0.303,10,748,455.392,2.564,6,0.394,0.64,0.33,0.014520937564251936,0.11944006579398259,0.18797546432732506,0.39731683914741966,0.17981332670824482
EOS-3-19885,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)cc1,VEFJBUWGDHECOT-UHFFFAOYSA-N,3,1,0.319,38,42,433.479,3.654,6,0.421,0.66,1.0,0.08535227194846139,0.040941333698855456,0.3844493180727846,0.3237612226715098,0.2086260365979028
EOS-3-19886,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccccc5F)c4)n23)cc1,KPXQMGBQNPJUPD-UHFFFAOYSA-N,3,1,0.298,64,144,452.428,4.379,6,0.395,0.72,1.0,0.028716331985470495,0.15962751010897128,0.682509766294291,0.7758635460215201,0.4116792886025632
EOS-3-19887,N#Cc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)cc1,JIRKGPLSNLEYTG-UHFFFAOYSA-N,3,1,0.62,89,56,420.436,3.136,5,0.411,0.73,1.0,0.9037163319854705,0.6937495716537592,0.5698804057295593,0.5273113563155369,0.6736644164210814
EOS-3-19888,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccsc4-c4ccccc4)n23)cn1,HSOGZFNIPZXBGQ-UHFFFAOYSA-N,3,1,0.315,30,522,436.504,4.377,6,0.408,0.76,0.998,0.10509903365088068,0.08475258721129464,0.24080768967171545,0.30201836748680694,0.18316941950517443
EOS-3-19889,Cn1nc(-c2ccnnc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4F)cn3)n12,ADSIXXDCYBWFKD-UHFFFAOYSA-N,3,1,0.321,10,979,450.441,3.245,6,0.402,0.64,1.0,0.07282742786649304,0.20703687204441093,0.22625248440819684,0.33022068398327736,0.20908436707559452
EOS-3-19890,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)cn2)nn1,NRDQRXIBPGMRCM-UHFFFAOYSA-N,3,1,0.273,99,286,448.454,2.204,6,0.394,0.63,1.0,0.08536083887327804,0.03448187238708793,0.05679871153450757,0.054245767939140564,0.05772179768350353
EOS-3-19891,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5)n4)n23)cc1,BMRDBPARJDKBHE-UHFFFAOYSA-N,3,1,0.333,3,118,454.404,3.169,6,0.399,0.64,0.994,0.04953395928997327,0.25738468919196766,0.3770560619560003,0.5373860598999384,0.30534019258446987
EOS-3-19892,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cc1,RKJIJDHDDKRKFU-UHFFFAOYSA-N,3,1,0.292,99,356,438.39,1.82,6,0.4,0.61,1.0,0.00152491261736687,0.08799945171681173,0.14366732917551917,0.24244397231169898,0.11890891645534918
EOS-3-19894,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5cccnc5)[nH]4)n23)cc1,ZWZCNHYZYDFUMS-UHFFFAOYSA-N,3,1,0.321,94,407,436.414,3.235,6,0.447,0.62,0.695,0.20929854019601124,0.30387739017202386,0.35057569734768007,0.4543896922760606,0.32953532999794394
EOS-3-19895,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)c2)nc1,IHKLXQHWTWWYPO-UHFFFAOYSA-N,3,1,0.465,2,491,436.357,3.035,5,0.387,0.66,1.0,0.8343927763689946,0.7714173120416695,0.6989325611678432,0.6771640052086902,0.7454766636967994
EOS-3-19896,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)cn1,KKPGOJBZXKYIMV-UHFFFAOYSA-N,3,1,0.354,42,983,419.408,3.36,6,0.423,0.74,1.0,0.2009543554245768,0.1368137893221849,0.34664347885682956,0.330229250908094,0.2536602186279213
EOS-3-19897,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)cc1,MYQFRRKHEGNMFU-UHFFFAOYSA-N,3,1,0.494,27,343,422.355,3.148,5,0.407,0.73,1.0,0.7252758549790967,0.5590860804605579,0.5986053046398465,0.5343876362141046,0.6043387190734014
EOS-3-19898,Cn1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2)n1,CAZVDIFNEUKOOK-UHFFFAOYSA-N,3,1,0.415,62,740,410.441,2.277,5,0.475,0.83,1.0,0.1619919813583716,0.08136008498389419,0.2442515934480159,0.16051847028990474,0.1620305325200466
EOS-3-19899,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(-c5cnc(C)cn5)n4)n23)nc1,BTYANLLOKLVHCJ-UHFFFAOYSA-N,3,1,0.418,33,53,467.493,2.328,5,0.383,0.68,0.998,0.3665358782811322,0.07442944280720992,0.07952676307312727,0.032160235761770954,0.1381630799808101
EOS-3-19900,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc1,JKLVFLNXGNXJRS-UHFFFAOYSA-N,3,1,0.317,9,498,447.437,3.906,6,0.4,0.67,1.0,0.1926787060516757,0.31920361866904257,0.5597800013707079,0.6566633541224042,0.4320814200534576
EOS-3-19901,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ncccn5)n4)n23)c(F)c1,AZEMUCXPOSYSAV-UHFFFAOYSA-N,3,1,0.299,8,765,440.406,1.764,6,0.402,0.59,1.0,0.0362466588993215,0.19767322321979303,0.055076759646357346,0.0794924953738606,0.09212228428483311
EOS-3-19902,Fc1cc(Cl)cc(Oc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)c1,FBJMZAVBXBTUOZ-UHFFFAOYSA-N,3,1,0.463,2,995,419.807,4.228,5,0.43,0.77,1.0,0.6856623946268248,0.7672195188815023,0.8514752244534302,0.8767819203618669,0.795284764580906
EOS-3-19903,Cc1ccnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)n1,KJTKRLOUWSJCNH-UHFFFAOYSA-N,3,1,0.383,44,971,434.822,3.932,5,0.419,0.67,1.0,0.6705760400246727,0.639880748406552,0.5091494757042012,0.5505876910424234,0.5925484887944623
EOS-3-19904,Cn1nncc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)cn1,FZYSLKYILJNMTB-UHFFFAOYSA-N,3,1,0.386,56,622,437.423,3.429,6,0.399,0.67,1.0,0.3265968747858269,0.22215749434582963,0.25494311561921734,0.23649852648893152,0.26004900280995136
EOS-3-19905,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)nc4)n23)cc1,DERGPMCAIKHNHA-UHFFFAOYSA-N,3,1,0.287,38,725,446.478,3.414,6,0.405,0.65,1.0,0.109913645397848,0.09411623603591254,0.17832054005894044,0.1847971352203413,0.14178688917826057
EOS-3-19907,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)nn4)n23)nc1,KHOHVALODUMGBF-UHFFFAOYSA-N,3,1,0.427,92,587,428.416,1.055,5,0.418,0.64,1.0,0.32660544171064354,0.12649921184291688,0.02834795421835378,0.013484339661435132,0.12373423685833734
EOS-3-19908,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)nc2)cn1,ODBFYKNWDNFIJJ-UHFFFAOYSA-N,3,1,0.287,10,37,420.44,2.834,6,0.432,0.71,1.0,0.0008395586320334452,0.004677540949900623,0.2262610513330135,0.24245253923651566,0.11855767253786581
EOS-3-19909,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)nc1,YRULCTHYWQCOKL-UHFFFAOYSA-N,3,1,0.422,46,692,433.834,4.015,5,0.386,0.7,1.0,0.7640240559248852,0.6499468850661366,0.7498629292029333,0.7712973750942361,0.7337828113220479
EOS-3-19910,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)c1,PUGXQTNEDJSYKK-UHFFFAOYSA-N,3,1,0.321,25,791,466.896,3.759,6,0.361,0.76,1.0,0.15919059694332122,0.20241073264341033,0.3355407442944281,0.41320848468233845,0.2775876396408745
EOS-3-19911,Cn1cnc(-c2ncc(F)cn2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,MUDREKXJBYYVTG-UHFFFAOYSA-N,3,1,0.549,73,82,436.838,3.353,5,0.417,0.67,1.0,0.7610084983894181,0.8315913919539442,0.31734459598382564,0.42587039956137346,0.5839537214721403
EOS-3-19912,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)nn1,HEDAWJNZKZBVKN-UHFFFAOYSA-N,3,1,0.407,46,88,434.822,3.41,5,0.414,0.61,1.0,0.6313566582139675,0.5496795970118566,0.5986138715646632,0.6307055719279008,0.602588924679597
EOS-3-19913,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)nc2)nn1,IHJYQMQLXKBTPS-UHFFFAOYSA-N,3,1,0.25,70,813,435.455,2.444,6,0.414,0.62,1.0,0.013081694195051743,0.013390103488451785,0.1528596395038037,0.12894935234048385,0.07707019738194777
EOS-3-19914,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nn4)n23)cn1,XVXWCWATVYAIFX-UHFFFAOYSA-N,3,1,0.298,99,14,435.455,2.444,6,0.414,0.64,0.963,0.07661400863546021,0.051701391268590226,0.0937307244191625,0.08291069837571105,0.076239205674731
EOS-3-19915,Fc1cnc(-n2cnc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)n2)nc1,ZTJNEASFPUETCO-UHFFFAOYSA-N,3,1,0.294,86,902,437.402,2.425,6,0.409,0.61,0.958,0.01990096634911932,0.15200294702213693,0.08173702967582756,0.13121958741690082,0.09621513261599615
EOS-3-19916,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)cs1,HZSYDLUPLOCNPG-UHFFFAOYSA-N,3,1,0.429,24,786,436.888,3.641,5,0.384,0.76,1.0,0.5321088342128709,0.6499554519909533,0.16222328832842162,0.1763330135014735,0.38015514700842984
EOS-3-19917,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5cccnc5)ncn4)n23)cc1,JCXGVMSFPUYHFL-UHFFFAOYSA-N,3,1,0.301,64,449,447.437,3.906,6,0.4,0.66,0.978,0.25526009183743403,0.3192121855938592,0.44628538139949286,0.5238588856144198,0.38615413611130145
EOS-3-19918,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)cn1,WHYFYUKSDNNCPF-UHFFFAOYSA-N,3,1,0.307,98,356,451.429,2.64,6,0.398,0.64,0.965,0.12922349393461724,0.21185148379137825,0.14656294976355289,0.23959118634774862,0.18180727845932426
EOS-3-19920,Cc1cc(Br)ccc1-c1nnc2cncc(-c3ccc(C(=O)N4CCCCC4)cc3)n12,OMXPAKINAOYXFJ-UHFFFAOYSA-N,3,1,0.414,0,21,476.378,5.155,5,0.41,0.92,1.0,0.09049242683846206,0.12289253649509972,0.012387773284901652,0.11799225549996573,0.08594124802960729
EOS-3-19921,Cc1cc(-c2nnc3cncc(OCCc4cncc(C(F)F)n4)n23)ccc1Cl,ZEHDAPYNTJGGMK-UHFFFAOYSA-N,3,1,0.556,68,127,416.819,4.102,4,0.471,0.75,1.0,0.8827702008087177,0.9511256939209102,0.8154427386745254,0.790050373517922,0.8598472517305188
EOS-3-19922,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)cn1,QUTQYTWSOAFYAP-UHFFFAOYSA-N,3,1,0.456,75,441,428.431,3.373,5,0.42,0.68,1.0,0.6796569803303406,0.5882821602357617,0.49485127818518265,0.362620793639915,0.5313528030978
EOS-3-19923,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)nn1,KFFVMEBFFPKKSM-UHFFFAOYSA-N,3,1,0.371,53,785,433.823,1.498,5,0.384,0.63,0.8,0.46435302583784527,0.48984819409224867,0.055085326571174015,0.10005311493386335,0.2773349153587828
EOS-3-19924,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)n(C)n1,QKLXPTLTTPXYIL-UHFFFAOYSA-N,3,1,0.456,4,43,432.875,3.523,5,0.392,0.74,1.0,0.38270166541018436,0.45466383387019393,0.36538791035569873,0.3398670413268453,0.3856551127407306
EOS-3-19925,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)cn1,MGAQOYVUYGHYLN-UHFFFAOYSA-N,3,1,0.6,18,181,427.443,3.712,5,0.408,0.67,1.0,0.640189157699952,0.5882907271605784,0.529710095264204,0.4880748406551984,0.5615662051949831
EOS-3-19926,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cn2)nn1,BHCFENSWJFLWRG-UHFFFAOYSA-N,3,1,0.483,4,617,432.394,3.204,5,0.417,0.64,1.0,0.6578884243711877,0.6644849564800219,0.5665650058255088,0.5106486875471181,0.5998967685559591
EOS-3-19927,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cn1,UZTGBRYDWFDLMH-UHFFFAOYSA-N,3,1,0.415,54,511,432.394,3.204,5,0.417,0.64,1.0,0.6285038722500171,0.5356041395380714,0.6343979165238846,0.6162189020629155,0.6036812075937221
EOS-3-19928,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cnn(C(F)F)c5)n4)n23)cn1,KLUJATWIDZPNSI-UHFFFAOYSA-N,3,1,0.457,92,185,436.386,2.517,5,0.395,0.65,1.0,0.3895038037146186,0.4235915975601398,0.3096600644232746,0.2365070934137482,0.33981563977794527
EOS-3-19929,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)nc4)n23)c(F)c1,FCWPHHWHSPGKSB-UHFFFAOYSA-N,3,1,0.421,42,615,467.443,3.989,6,0.387,0.72,1.0,0.2036700705914605,0.2940425604824892,0.6050561990267973,0.648207799328353,0.437744157357275
EOS-3-19930,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)s5)n34)c2)nn1,JLKBCCLTFUTYSM-UHFFFAOYSA-N,3,1,0.553,4,554,437.435,3.87,5,0.412,0.66,1.0,0.6489017202385032,0.6304057295593174,0.5857891851141115,0.5733243095058598,0.609605236104448
EOS-3-19931,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)cc6F)n5)n34)nc2)nn1,QBMCMTJSTNLAAZ-UHFFFAOYSA-N,3,1,0.292,99,952,458.396,1.903,6,0.389,0.65,0.378,0.012156466314851622,0.14065177164005208,0.1377732849016517,0.22183195120279625,0.1281033685148379
EOS-3-19932,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccs5)n4)n23)cc1,XLEIWZPGJRYGMS-UHFFFAOYSA-N,3,1,0.556,4,32,421.873,3.937,5,0.424,0.76,1.0,0.8320026043451443,0.9195994105955726,0.3096686313480913,0.4290744294428072,0.6225862689329038
EOS-3-19933,CCc1ncc(-c2ncc(C)cn2)cc1COc1cncc2nnc(-c3ccc(C)nc3)n12,AIFJVTKSOHYRQU-UHFFFAOYSA-N,3,1,0.524,7,205,438.495,3.797,5,0.394,0.72,1.0,0.43167020766225755,0.2627989856761017,0.17832910698375712,0.10006168185868,0.24321499554519913
EOS-3-19934,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cn4)n23)nc1,USGHUBAJDZBSET-UHFFFAOYSA-N,3,1,0.292,94,892,451.429,2.64,6,0.398,0.63,0.998,0.24476560893701596,0.3192207525186759,0.18143033376739084,0.22778596395038037,0.24330066479336576
EOS-3-19935,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)n5)n34)cc2F)s1,PSEZOYWVNAIMGK-UHFFFAOYSA-N,3,1,0.517,20,279,452.45,3.308,5,0.387,0.71,1.0,0.70048317455966,0.7499571653759166,0.24426016037283257,0.2719056267562196,0.49165153176615717
EOS-3-19936,Cc1nc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cs1,MNSOHVMKGKWQJU-UHFFFAOYSA-N,3,1,0.444,46,122,435.9,4.246,5,0.381,0.81,1.0,0.39393290384483587,0.43715303954492496,0.3466520457816462,0.35270886162703036,0.38261171269960936
EOS-3-19937,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)nc2)cc1,JVFAYTCDWPCNHM-UHFFFAOYSA-N,3,1,0.284,30,301,428.459,4.372,6,0.411,0.75,0.954,0.07086560208347611,0.0880080186416284,0.5019104242341169,0.547400795010623,0.3020462099924611
EOS-3-19938,Fc1ccc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,WZAOBVXACJOHJZ-UHFFFAOYSA-N,3,1,0.561,97,232,433.834,4.015,5,0.386,0.74,1.0,0.9143650195325885,0.9543639915016106,0.6635597285998218,0.7270749091905969,0.8148409122061545
EOS-3-19939,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnnc6)nc5)n34)nc2)cc1,RQNLNODMIILDPB-UHFFFAOYSA-N,3,1,0.297,30,737,428.459,4.372,6,0.411,0.75,1.0,0.08775101089712836,0.0910150092522788,0.5826365567815777,0.6162274689877322,0.3444075114796793
EOS-3-19940,c1cc(-c2ccncc2)nc(-c2cncc3nnc(-c4cnc(-c5cccs5)cn4)n23)c1,OFUMJPYJJLEYKB-UHFFFAOYSA-N,3,1,0.284,76,368,434.488,4.434,6,0.405,0.76,1.0,0.07662257556027688,0.14424988006305256,0.30610479062435747,0.3556815845384141,0.22066470769652524
EOS-3-19941,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cn4)n23)c(F)c1,ACPGMAFJZJEYSK-UHFFFAOYSA-N,3,1,0.466,46,915,419.395,3.444,5,0.434,0.71,1.0,0.697467617024193,0.4677540949900624,0.7706291549585361,0.7326005756973477,0.6671128606675348
EOS-3-19942,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cn2)nn1,YOAXTNYATFIRJH-UHFFFAOYSA-N,3,1,0.321,99,14,448.454,2.204,6,0.394,0.62,1.0,0.07466931670207662,0.07083990130902611,0.05118737577959016,0.05289219381810705,0.06239719690219998
EOS-3-19943,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1,ABTKHICAZARPOF-UHFFFAOYSA-N,3,1,0.484,20,475,433.863,2.652,5,0.402,0.67,1.0,0.5553080666164074,0.5780618189294771,0.19486327187992597,0.23069871838804742,0.38973296895346443
EOS-3-19944,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)O)c(F)c5)n34)c(Cl)c2)cn1,DTSNTAQQXCHOTE-UHFFFAOYSA-N,3,1,0.356,96,648,460.856,4.714,5,0.413,0.76,1.0,0.30361181550270716,0.22216606127064628,0.8154513055993421,0.7785107257898705,0.5299349770406414
EOS-3-19945,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nncnn6)c5)n34)nc2)nc1,VXQQIECSLVGLLE-UHFFFAOYSA-N,3,1,0.462,81,826,460.461,3.074,6,0.365,0.69,1.0,0.5372918237269549,0.3577633472688644,0.28440477006373793,0.2780652456994037,0.36438129668974023
EOS-3-19946,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)nc2)n1C,AJUUORSEQVLQKE-UHFFFAOYSA-N,3,1,0.267,70,652,448.494,3.358,6,0.407,0.65,0.995,0.11260365979028168,0.026111986841203482,0.17182681104790623,0.12687615653485024,0.1093546535535604
EOS-3-19947,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cc1,AARLCYDXVOGDSG-UHFFFAOYSA-N,3,1,0.338,32,515,446.449,4.511,6,0.393,0.74,0.999,0.26622575560276884,0.41916249742992256,0.6255311493386334,0.680085326571174,0.49775118223562476
EOS-3-19948,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)c1,PIEJKBIZFSHDCF-UHFFFAOYSA-N,3,1,0.36,64,885,446.449,4.511,6,0.393,0.74,1.0,0.2794102528956206,0.35777191419368104,0.5952470701117127,0.6712699609348228,0.4759247995339593
EOS-3-19949,Cc1cnnc(-c2ccc(-c3nnc4cncc(CCC5CCCCN5C)n34)nc2C)c1,GEMHCEPRNNZGED-UHFFFAOYSA-N,3,1,0.305,78,878,428.544,3.677,5,0.479,0.65,0.748,0.04355424576793914,0.014726543759851964,0.003392502227400452,0.016834007264752246,0.01962682475498595
EOS-3-19950,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccc(F)nc5)cn4)n23)cc1,RLKIPKNWELCHOD-UHFFFAOYSA-N,3,1,0.407,82,453,412.388,2.548,5,0.45,0.82,1.0,0.19532588582002605,0.1520115139469536,0.43537111918305804,0.3787780138441505,0.29037163319854703
EOS-3-19951,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)n1,PJYNSJZQFYOWGR-UHFFFAOYSA-N,3,1,0.312,86,968,434.427,1.896,6,0.404,0.64,1.0,0.07663114248509355,0.05555650743609074,0.0627270235076417,0.06486875471180865,0.06494585703515866
EOS-3-19952,c1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccncn6)c5)n34)cc2)ncn1,GAYZZZMIQZKLSY-UHFFFAOYSA-N,3,1,0.301,42,150,418.424,2.891,6,0.429,0.72,1.0,0.012165033239668289,0.02851072578987047,0.3580460557878144,0.3462579672400795,0.18624494551435816
EOS-3-19953,Cc1nnc(-c2cncc(-c3nnc4cncc(Oc5c(F)cccc5Cl)n34)c2)o1,CSOWPRUZFLMTAW-UHFFFAOYSA-N,3,1,0.43,13,995,423.795,4.13,5,0.425,0.75,1.0,0.6519858131725036,0.655095606880954,0.5766397094099103,0.6071122609827976,0.6227083476115414
EOS-3-19954,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OCCF)n23)cc1F,JEBMSCGCPCVJQA-UHFFFAOYSA-N,3,1,0.347,0,999,410.384,2.7,4,0.525,0.79,1.0,0.4133455554794051,0.2680162428894524,0.4569854704955109,0.33987560825166196,0.36955571927900766
EOS-3-19955,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)nc5)n34)cc2)nn1,UJAGKJZSVSPWHP-UHFFFAOYSA-N,3,1,0.304,98,725,447.466,2.809,6,0.401,0.63,1.0,0.04509629223493935,0.051709958193406895,0.15906209307107122,0.1497241450209033,0.10139812213008019
EOS-3-19956,Fc1ccc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)nn5)n34)cc2)nc1,HEYKSRCCVNCYNO-UHFFFAOYSA-N,3,1,0.364,14,476,452.375,3.787,5,0.383,0.67,1.0,0.4386008498389418,0.5218713590569529,0.8244551435816599,0.7559797135220341,0.6352267664998972
EOS-3-19957,Cn1cnc(COc2cncc3nnc(-c4cc(F)cc(-c5ncc(F)cn5)c4)n23)c1,QOGXCZVKAQZFQF-UHFFFAOYSA-N,3,1,0.537,73,82,420.383,2.839,5,0.431,0.7,1.0,0.46667466246316225,0.3953550133644027,0.5196182578301692,0.47885682955246384,0.4651261908025495
EOS-3-19958,COc1ccn(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)n1,IZVXIGAJKFOBFR-UHFFFAOYSA-N,3,1,0.381,46,128,435.835,2.403,5,0.396,0.66,0.996,0.27153724898910286,0.2988057706805565,0.1718353779727229,0.15235419093962033,0.22363314714550067
EOS-3-19959,CCn1ncnc1-c1cc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)ccc1F,DYDVKAUPSABQHH-UHFFFAOYSA-N,3,1,0.506,16,55,434.41,3.322,5,0.378,0.73,1.0,0.5373003906517716,0.5447022136933726,0.4742135563018299,0.47595264203961346,0.508042200671647
EOS-3-19960,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,IQCYJBXSPFYAMF-UHFFFAOYSA-N,3,1,0.529,37,141,447.861,4.057,5,0.387,0.69,1.0,0.9129943115619217,0.9332979233774245,0.6934154615859092,0.7244277294222465,0.8160338564868754
EOS-3-19961,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ccnc(-c5cnco5)c4)n23)cc1,GDVOORHAQMNSMU-UHFFFAOYSA-N,3,1,0.269,42,515,418.42,3.965,6,0.423,0.79,0.998,0.14520937564251937,0.021468713590569528,0.4027311356315537,0.444837571105476,0.25356169899252967
EOS-3-19962,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnn(C)n6)c5)n34)nc2)nn1,MVBJRYWDZSPTQK-UHFFFAOYSA-N,3,1,0.25,99,286,437.431,1.234,6,0.395,0.63,1.0,0.014529504489068604,0.01766499897196902,0.031723322596120894,0.030206976903570694,0.0235312007401823
EOS-3-19963,COc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cn(-c4cc(F)cc(F)c4F)nn3)n12,FXLYWPDPFXVYLE-UHFFFAOYSA-N,3,1,0.333,22,997,466.383,2.564,5,0.395,0.68,0.996,0.19268727297649235,0.38143376053731753,0.6799225549996574,0.6071208279076142,0.4652911041052703
EOS-3-19964,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)cc5F)n34)c2)cc1=O,PNPNUWZIDURFMG-UHFFFAOYSA-N,3,1,0.462,16,55,463.86,3.319,5,0.368,0.73,1.0,0.6201339867041327,0.49934891371393325,0.6962082790761428,0.6832208210540744,0.6247280001370707
EOS-3-19965,Cn1nc(-c2ccc(F)nn2)cc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,OBIIPMLZXDPKDS-UHFFFAOYSA-N,3,1,0.325,98,882,453.445,2.583,6,0.4,0.64,1.0,0.1320248783496676,0.2070454389692276,0.16863134809128916,0.17933143718730724,0.17175827564937293
EOS-3-19966,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)cc6F)n5)n34)cc2)n1,PQIPRUXZVZAUOP-UHFFFAOYSA-N,3,1,0.322,3,973,468.431,3.478,6,0.387,0.69,1.0,0.10510760057569735,0.26802480981426907,0.34666061270646287,0.4227691727777397,0.28564054896854224
EOS-3-19967,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cn1,DGMPDNRQELGFLW-UHFFFAOYSA-N,3,1,0.541,54,511,448.849,3.718,5,0.4,0.67,1.0,0.7433006647933658,0.6742512507710232,0.6581282982660545,0.6653159481872387,0.6852490405044205
EOS-3-19968,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccc2F)n1,VDGRVHZXVGHRHN-UHFFFAOYSA-N,3,1,0.473,4,799,448.849,3.718,5,0.4,0.67,1.0,0.7433092317181824,0.8087091357686245,0.5534490439311904,0.5702316496470426,0.66892476526626
EOS-3-19969,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)c(Cl)c1,XFXXXKNHYKWVMR-UHFFFAOYSA-N,3,1,0.565,2,884,447.861,4.057,5,0.387,0.73,1.0,0.7610170653142349,0.8642056747309985,0.8261256939209102,0.8404410252895621,0.8229473648139265
EOS-3-19970,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccnc(C#N)c1,ODFHJJXPHMIJGP-UHFFFAOYSA-N,3,1,0.446,95,493,423.44,2.475,5,0.408,0.69,1.0,0.4316787745870742,0.18430882050579125,0.29168665615790557,0.2542748954835172,0.29048728668357204
EOS-3-19971,Cn1nc(-c2ccsc2)nc1-c1cncc2nnc(-c3cnc(C(C)(C)O)c(F)c3)n12,NDCQMDOOVRMKPY-UHFFFAOYSA-N,3,1,0.306,50,974,436.476,3.077,5,0.461,0.64,0.328,0.15386196970735386,0.27313926392981974,0.18143890069220753,0.12033102597491604,0.18219279007607428
EOS-3-19972,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)c1F,HYUBLXBEIDLFCF-UHFFFAOYSA-N,3,1,0.523,4,486,436.838,3.353,5,0.39,0.71,1.0,0.39813926392981974,0.4371616064697416,0.5262833253375369,0.5238674525392365,0.47136291206908365
EOS-3-19973,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccc2F)cn1,UCRKKPRFIWVDFC-UHFFFAOYSA-N,3,1,0.534,35,426,445.433,3.851,5,0.392,0.68,1.0,0.9290487286683572,0.8861455691864848,0.7166061270646289,0.6800938934959907,0.8029735796038654
EOS-3-19974,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccc6C)cn5)n34)cc2)no1,ZKQSEIGMQJROJZ-UHFFFAOYSA-N,3,1,0.3,38,983,446.474,4.582,6,0.387,0.8,1.0,0.11552498115276541,0.12290110341991639,0.4129857446371051,0.36262936056473166,0.25351029744362963
EOS-3-19975,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(Cl)c5)n4)n23)cc1,XTCAPFWVXYTMDN-UHFFFAOYSA-N,3,1,0.536,97,401,450.289,4.529,5,0.364,0.79,1.0,0.7952419299568227,0.9318072784593242,0.7350592831197313,0.8120416695223083,0.8185375402645467
EOS-3-19976,Fc1cncc(-c2cncc(-c3nnc4cncc(COc5ccc(Cl)cn5)n34)c2)c1,PUJZOMZWQQGIKN-UHFFFAOYSA-N,3,1,0.367,2,419,433.834,4.015,5,0.413,0.7,1.0,0.5321174011376876,0.6212648207799328,0.7662343225275855,0.7875573983962717,0.6767934857103693
EOS-3-19977,Fc1cc(OCc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)ccc1Cl,OAZIRMOCYQNROZ-UHFFFAOYSA-N,3,1,0.457,14,189,432.846,4.62,5,0.403,0.75,1.0,0.6118412034815982,0.7038071413885272,0.9130885477349051,0.920310465355356,0.7872618394900965
EOS-3-19978,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c(C)c2)n[nH]1,ITRTYWXRRYGOIJ-UHFFFAOYSA-N,3,1,0.517,4,677,432.875,3.821,5,0.449,0.69,1.0,0.4643615927626619,0.6167671852511822,0.38073127270235074,0.3689089164553492,0.45769224179288603
EOS-3-19979,Cc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ncc(Cl)cn5)c4)n23)nn1,QSKXUYGTHFFVND-UHFFFAOYSA-N,3,1,0.518,37,563,462.876,3.761,5,0.375,0.69,1.0,0.8989359879377699,0.917757521759989,0.3916541018436022,0.4354996230553081,0.6609618086491673
EOS-3-19980,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)n4)n23)cn1,JOLPJRMBGQIMDW-UHFFFAOYSA-N,3,1,0.36,82,140,412.388,2.548,5,0.45,0.79,0.921,0.14269069974641901,0.1558923308889041,0.3245579466794599,0.3116304571311082,0.23369285861147282
EOS-3-19981,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)ncn1,YSTCBCOXOJAMAI-UHFFFAOYSA-N,3,1,0.529,11,438,427.443,3.712,5,0.382,0.74,1.0,0.8532143101912137,0.762687615653485,0.6079775203892811,0.5273199232403536,0.6877998423685834
EOS-3-19982,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nn2C)cn1,HOCPYKDGIJHOTD-UHFFFAOYSA-N,3,1,0.411,92,694,421.852,2.553,5,0.402,0.76,1.0,0.2503598108423,0.22217462819546296,0.27718285244328694,0.26906140771708587,0.25469467479953395
EOS-3-19983,Cc1cnnc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)n1,XOIQHEBEXRNOHC-UHFFFAOYSA-N,3,1,0.484,18,904,429.419,2.502,5,0.401,0.66,1.0,0.6371907340141183,0.5308923308889041,0.22268864368446303,0.21030943732437804,0.40027028647796586
EOS-3-19984,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)n1,GGSQFGJVBULGSC-UHFFFAOYSA-N,3,1,0.542,36,610,422.449,3.07,5,0.429,0.72,1.0,0.4111352888767048,0.5447107806181893,0.1528682064286204,0.14015489000068534,0.31221729148104993
EOS-3-19985,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ncc(Cl)nn5)ncc4F)n23)nn1,GRQZGWLEKQSWCM-UHFFFAOYSA-N,3,1,0.375,53,587,451.813,1.903,5,0.386,0.63,0.676,0.5450448906860393,0.588299294085395,0.02952162291823727,0.05425433486395723,0.3042800356384072
EOS-3-19986,N#Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nn2)ccn1,HKOBLXSBDNUNRE-UHFFFAOYSA-N,3,1,0.386,72,706,451.837,3.832,5,0.398,0.69,1.0,0.8461894318415462,0.9008464121718868,0.822673223219793,0.807484065519841,0.8442982831882666
EOS-3-19987,Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5ccc(Cl)nn5)c4)n23)cn1,FTDGSXKZMYJULK-UHFFFAOYSA-N,3,1,0.467,72,97,448.849,3.718,5,0.375,0.7,1.0,0.8344013432938112,0.835129531903228,0.569888972654376,0.5505962579672401,0.6975040264546638
EOS-3-19988,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c1,IXLUSRMRQVQFFN-UHFFFAOYSA-N,3,1,0.353,30,298,434.438,4.24,6,0.413,0.69,1.0,0.0068706737029675825,0.13310431087656774,0.5229422246590364,0.6336611609896512,0.32414459255705574
EOS-3-19989,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5cnc(F)cn5)n4)n23)cc1,YXAKZADQSBHZSV-UHFFFAOYSA-N,3,1,0.355,29,136,452.417,2.035,6,0.39,0.6,0.986,0.11825783016928243,0.19308991844287574,0.07953532999794394,0.09392776368994586,0.121202710575012
EOS-3-19990,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)o1,JGWUGSLPSKFMEK-UHFFFAOYSA-N,3,1,0.542,4,32,420.82,3.172,5,0.422,0.71,1.0,0.694554862586526,0.8550304982523473,0.2156209307107121,0.2663628263998355,0.5078922794873553
EOS-3-19991,Cc1nccc(-c2ccc(F)c(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)c2)n1,DDWUKQZUNZYZIX-UHFFFAOYSA-N,3,1,0.31,98,314,464.468,3.553,6,0.389,0.69,1.0,0.2257813035432801,0.2988143376053732,0.342736961140429,0.3367658145432116,0.3010246042080735
EOS-3-19992,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cnccc6F)cn5)n34)nc2)n(C)n1,VUVHJYKKTKQHJF-UHFFFAOYSA-N,3,1,0.298,86,72,464.468,3.553,6,0.389,0.69,1.0,0.10992221232266465,0.22218319512027962,0.35443938043999723,0.34626653416489617,0.2582028305119594
EOS-3-19993,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,JUIDZWVNKQKSSJ-UHFFFAOYSA-N,3,1,0.282,98,7,421.428,2.434,6,0.46,0.63,1.0,0.10511616750051402,0.07084846823384278,0.13778185182646838,0.13783325337536836,0.11289493523404837
EOS-3-19994,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4)n23)cc1F,GGIMYORGFAWVBU-UHFFFAOYSA-N,3,1,0.338,9,98,438.426,4.048,6,0.409,0.68,1.0,0.31670207662257555,0.3621153450757316,0.5857977520389281,0.6008241381673635,0.4663598279761497
EOS-3-19995,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)nc1,ZYWBZELOZLRWHD-UHFFFAOYSA-N,3,1,0.289,86,902,448.425,3.301,6,0.4,0.62,1.0,0.2739531217874032,0.2885682955246385,0.27719141936810365,0.3020269344116236,0.28543494277294224
EOS-3-19996,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)cc5F)c4)n23)cc1,XBRJJXBFAUMAQT-UHFFFAOYSA-N,3,1,0.554,43,230,426.455,4.583,5,0.409,0.78,1.0,0.8938301007470358,0.8050253580974573,0.7166146939894456,0.6566719210472209,0.7680355184702898
EOS-3-19997,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cn5)ccn4)n23)cc1,SFOGWHIQXJOYLN-UHFFFAOYSA-N,3,1,0.535,1,744,428.883,4.789,5,0.4,0.78,1.0,0.8166249742992255,0.8243780412583099,0.74987149612775,0.7379891714070317,0.7822159207730792
EOS-3-19998,Cc1cc(OCc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)ccc1Cl,WPKZWKAUGDFGBT-UHFFFAOYSA-N,3,1,0.394,2,767,429.871,4.184,5,0.413,0.7,1.0,0.49388321568089916,0.48515351929271466,0.7013398670413269,0.6886950860119252,0.5922679220067164
EOS-3-19999,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nn1,JUXAXKYVQOUVCX-UHFFFAOYSA-N,3,1,0.442,53,785,445.874,3.017,5,0.388,0.62,0.995,0.49647899390034955,0.544719347543006,0.20165684325954356,0.23651566033856486,0.36984271126036594
EOS-3-20000,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2F)nc1,IGFRYXVQKCZSMB-UHFFFAOYSA-N,3,1,0.712,59,293,448.408,4.553,5,0.393,0.76,1.0,0.9837999451716811,0.9666403947638955,0.9179288602563224,0.8988931533136865,0.9418155883763963
EOS-3-20001,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)nc1,WFBJFZCFMGPOKT-UHFFFAOYSA-N,3,1,0.483,18,949,432.394,2.938,5,0.403,0.65,1.0,0.8090261119868412,0.6069580563360976,0.48139263929819753,0.48517065314234803,0.595636865190871
EOS-3-20002,Cc1ncc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4cccc(-c5ncn(C)n5)c4)n23)n1,YDXXTRCSAREVJL-UHFFFAOYSA-N,3,1,0.319,3,693,463.48,4.158,6,0.387,0.74,1.0,0.10993077924748132,0.24260674388321568,0.38073983962716745,0.4227777397025564,0.2890137756151052
EOS-3-20003,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(CO)nc5)n34)c2)cn1,MLHCHJYKVSSXRC-UHFFFAOYSA-N,3,1,0.483,92,388,432.419,2.192,5,0.434,0.65,1.0,0.44566856281269274,0.3814423274621342,0.4638647111232952,0.37878658076896715,0.41744054554177235
EOS-3-20004,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cnc(Cl)nc5)[nH]4)n23)cc1,KAWGEYBFXQQWKD-UHFFFAOYSA-N,3,1,0.296,98,42,455.873,3.087,6,0.401,0.68,1.0,0.1647333972997053,0.2118600507161949,0.2192104722088959,0.26312452881913506,0.2147321122609828
EOS-3-20005,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)cc1,QVXIXMHEPURDBV-UHFFFAOYSA-N,3,1,0.354,9,867,430.475,4.316,6,0.414,0.69,1.0,0.19269583990130904,0.07778767733534371,0.5698975395791926,0.537394626824755,0.3444439209101501
EOS-3-20006,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)ncn1,NVYHBMLMLMSTLN-UHFFFAOYSA-N,3,1,0.562,84,73,427.443,3.712,5,0.408,0.7,1.0,0.7493489137139332,0.6644935234048386,0.6199369474333494,0.5702402165718594,0.651004900280995
EOS-3-20007,Fc1cc(F)cc(COc2cncc3nnc(-c4cncc(-c5cccnc5F)c4)n23)c1,XTMVEJOQYGNBDP-UHFFFAOYSA-N,3,1,0.518,59,16,434.381,4.245,5,0.385,0.78,1.0,0.859810842300048,0.8612415187444314,0.9397402508395586,0.9350969775889246,0.8989723973682406
EOS-3-20008,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)n5)n34)cn2)nn1,FKUPCEAINAHFOH-UHFFFAOYSA-N,3,1,0.27,99,601,437.431,1.234,6,0.395,0.62,0.998,0.031106504009320815,0.03735179220067165,0.015360496196285382,0.012936056473168391,0.02418871221986156
EOS-3-20009,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)cc5F)n34)ccn2)nn1,MRBXXAXDRLZIQU-UHFFFAOYSA-N,3,1,0.474,75,241,446.421,3.246,5,0.392,0.66,1.0,0.6796655472551573,0.6551041738057707,0.4204732369268727,0.40664622027277086,0.5404722945651429
EOS-3-20010,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)n1,GJIMGUKBJNNHBQ-UHFFFAOYSA-N,3,1,0.442,18,904,446.421,3.246,5,0.392,0.65,1.0,0.6974761839490097,0.5883078610102118,0.4984065519840998,0.48808340758001506,0.5680685011308341
EOS-3-20011,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)nn2)n(C)n1,UBWMLFQSHFASEB-UHFFFAOYSA-N,3,1,0.352,98,541,446.478,3.414,6,0.405,0.67,1.0,0.05619045987252416,0.04456514289630594,0.12871804537043383,0.13784182030018505,0.09182886710986224
EOS-3-20012,CC(C)n1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)cc1,LFPATYBBZNTRTR-UHFFFAOYSA-N,3,1,0.286,98,882,463.509,3.488,6,0.381,0.69,1.0,0.08775957782194503,0.05943732437804126,0.10624700157631417,0.07191933383592626,0.08134080940305667
EOS-3-20013,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5nnn(C)n5)c4)n23)cn1,IURVDDSTVAAJKZ-UHFFFAOYSA-N,3,1,0.326,82,974,413.405,0.798,5,0.452,0.78,1.0,0.13203344527448427,0.05556507436090741,0.023156397779453088,0.01016893975738469,0.055230964293057364
EOS-3-20014,Cc1ccc(-c2nnc3cncc(COCc4ccc(-c5ccc(F)nc5)nn4)n23)cn1,UWNRCOASTJFSQK-UHFFFAOYSA-N,3,1,0.392,85,290,428.431,3.203,5,0.38,0.71,1.0,0.43624494551435816,0.4191710643547392,0.4204818038516894,0.3722243163593996,0.4120305325200466
EOS-3-20015,CC(C)n1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,LUIBMVNRNJUDEX-UHFFFAOYSA-N,3,1,0.308,3,668,447.506,4.483,6,0.387,0.75,1.0,0.009946199712151327,0.02372181481735316,0.3061133575491741,0.2631330957439518,0.1507286169556576
EOS-3-20017,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cn2)n1,SVAITRJRFJVGGZ-UHFFFAOYSA-N,3,1,0.284,99,952,422.416,1.624,6,0.416,0.68,0.8,0.020988965800836132,0.051718525118223564,0.01763929819751902,0.020509218011102736,0.027714001781920367
EOS-3-20018,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncc(C)n5)n4)n23)nc1,WEGJNOHQLJATNH-UHFFFAOYSA-N,3,1,0.412,33,53,454.454,1.68,5,0.402,0.61,0.768,0.34121204852306214,0.10363408950723048,0.03980193269823864,0.014460969090535262,0.12477725995476661
EOS-3-20019,Clc1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,MDPSFECAIZKLBM-UHFFFAOYSA-N,3,1,0.286,42,7,452.869,3.749,6,0.401,0.69,0.977,0.2607943252690014,0.3577804811184977,0.4536015351929272,0.5207747926804195,0.39823778356521145
EOS-3-20020,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)nc1,TVVTUZVYQSGYMU-UHFFFAOYSA-N,3,1,0.645,97,805,429.827,3.945,5,0.412,0.74,1.0,0.9314389006922075,0.9215269686793228,0.7040298814337606,0.7379977383318485,0.8237483722842849
EOS-3-20021,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1F,SMQGOBSVAZYHTM-UHFFFAOYSA-N,3,1,0.541,4,31,435.85,3.958,5,0.389,0.73,1.0,0.7220889589472963,0.7410047289424988,0.6746453293125899,0.677172572133507,0.703727897333973
EOS-3-20022,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c(F)c1,URRBISBXOAHPBZ-UHFFFAOYSA-N,3,1,0.329,42,725,449.453,3.85,6,0.403,0.66,1.0,0.13454355424576794,0.2680333767390857,0.5534576108560071,0.5857891851141115,0.38545593173874304
EOS-3-20023,Cc1cc(-c2cnccn2)c(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cn1,GWHQFWQZBXVOJY-UHFFFAOYSA-N,3,1,0.294,86,219,465.456,2.948,6,0.386,0.67,1.0,0.19822150640805977,0.29882290453018984,0.25839558632033444,0.28988760194640534,0.2613318998012473
EOS-3-20024,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5cncnn5)n4)n23)cc1F,VTCKVACKBDZCES-UHFFFAOYSA-N,3,1,0.408,7,788,476.407,1.65,5,0.384,0.71,0.999,0.5139469536015352,0.3431995750805291,0.21562949763552874,0.17634158042629017,0.31227940168597085
EOS-3-20026,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc2)cn1,KHXBGYXSJFFBCA-UHFFFAOYSA-N,3,1,0.448,87,367,460.885,3.322,5,0.36,0.72,1.0,0.6342180111027346,0.592942567336029,0.30612192447399084,0.2663713933246522,0.44991347405935167
EOS-3-20027,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ncon6)n5)n34)cc2)n1,HDDVCLXLDXJUEV-UHFFFAOYSA-N,3,1,0.324,86,167,434.423,3.064,6,0.407,0.64,1.0,0.22866835720649717,0.11013638544308135,0.14992118429168666,0.14973271194571997,0.15961465972174627
EOS-3-20028,FCc1nccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)nn5)c4)n23)n1,QGLAMZJICAHYSL-UHFFFAOYSA-N,3,1,0.427,2,875,433.382,2.621,5,0.398,0.66,1.0,0.4595983825645946,0.47667226372421356,0.2806867246933041,0.26314166266876843,0.37002475841272015
EOS-3-20029,c1ccc(-c2nncc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)n2)cc1,LSBYYFQXHYHKHX-UHFFFAOYSA-N,3,1,0.353,30,365,429.447,3.767,6,0.417,0.67,1.0,0.10742923720101433,0.08136865190871084,0.1686399150161058,0.2690699746419025,0.1566269446919334
EOS-3-20030,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)cn2)n(C)n1,VRJSBZBJXNNUCW-UHFFFAOYSA-N,3,1,0.593,16,32,450.865,3.662,5,0.403,0.68,1.0,0.7894935234048386,0.8518778699198136,0.3916626687684189,0.45755945445822765,0.6226483791378248
EOS-3-20031,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncccc5F)c4)n23)nn1,JNQZJDHRMIRTNK-UHFFFAOYSA-N,3,1,0.484,75,132,432.394,2.938,5,0.403,0.64,0.998,0.7522274004523336,0.6551127407305873,0.39167123569323553,0.41955657597148927,0.5546419882119115
EOS-3-20032,c1cc(-c2ccncc2)cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)c1,PQHIKXSFQRQYMD-UHFFFAOYSA-N,3,1,0.271,42,174,428.459,4.372,6,0.411,0.73,1.0,0.06883524090192585,0.07085703515865945,0.6581368651908711,0.6741056130491399,0.36798368857514907
EOS-3-20033,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncn6C)c5)n34)nc2)cn1C,BEROMWPQPAOAPW-UHFFFAOYSA-N,3,1,0.265,70,369,447.506,3.963,6,0.406,0.69,1.0,0.07087416900829278,0.026120553766020148,0.3617898019326982,0.289896168871222,0.18717017339455827
EOS-3-20034,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c1F,MPQBVKKYNYRNHK-UHFFFAOYSA-N,3,1,0.449,46,910,417.379,3.501,5,0.432,0.77,1.0,0.8598194092248647,0.7410132958673155,0.7245048317455967,0.7053491878555274,0.7576716811733262
EOS-3-20035,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)cc1Cl,BOXKYXJWUGNJEH-UHFFFAOYSA-N,3,1,0.632,13,573,436.809,4.972,5,0.395,0.78,1.0,0.9543040230278939,0.9420447536152423,0.9503461037625934,0.9597354533616613,0.9516075834418477
EOS-3-20036,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5F)n34)nn2)cn1,SPHXZGPILJCJKO-UHFFFAOYSA-N,3,1,0.346,98,63,440.402,2.838,6,0.407,0.61,1.0,0.2201699677883627,0.2833424713864711,0.3466691796312796,0.3430025358097457,0.29829603865396476
EOS-3-20037,Fc1cncc(CCOc2cncc3nnc(-c4cnnc(-c5cccc(F)c5F)c4)n23)c1,PAEDRXQXGPEKKF-UHFFFAOYSA-N,3,1,0.511,84,429,449.396,3.682,5,0.391,0.7,1.0,0.884851963539168,0.8612500856692482,0.8447587553971626,0.8545678843122473,0.8613571722294565
EOS-3-20038,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccccn1,BVIDGSMGZAFBGN-UHFFFAOYSA-N,3,1,0.472,97,383,445.87,3.884,5,0.388,0.7,1.0,0.8246179151531766,0.6742598176958399,0.46765129189226234,0.41636111301487216,0.5957225344390378
EOS-3-20039,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(Cl)c4)n23)cc1F,CPYMNDIGSBGFED-UHFFFAOYSA-N,3,1,0.484,90,555,472.267,3.465,4,0.337,0.85,1.0,0.7577787677335344,0.5929511342608458,0.8281474881776437,0.8182783907888425,0.7492889452402166
EOS-3-20040,Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccc5F)c4)n23)nn1,ZLRZGQZHVOVQQN-UHFFFAOYSA-N,3,1,0.512,4,799,431.406,3.809,5,0.418,0.66,1.0,0.6886865190871085,0.7223716674662464,0.6610324857789048,0.6455006510862861,0.6793978308546365
EOS-3-20041,Cc1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)cnn2)nn1C,HGCORYLUCCNLED-UHFFFAOYSA-N,3,1,0.374,61,336,412.413,2.655,5,0.478,0.78,0.999,0.04510485915975601,0.004214927009800562,0.20879309163182783,0.1180008224247824,0.0940284250565417
EOS-3-20042,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)c1,DKZYSSCEPAOVNO-UHFFFAOYSA-N,3,1,0.321,98,765,453.445,2.583,6,0.4,0.62,1.0,0.1953344527448427,0.27811664724830376,0.23368000822424784,0.2542834624083339,0.24035364265643205
EOS-3-20043,Cc1nnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6)cc5)n34)n2)s1,KQSBVBHRZAPUBB-UHFFFAOYSA-N,3,1,0.286,98,63,453.495,2.871,6,0.396,0.63,1.0,0.04213213624837228,0.09412480296072921,0.04128401069152217,0.05161572202042355,0.0572891679802618
EOS-3-20044,Cc1ncc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1C,GLARSQSRJQBZPH-UHFFFAOYSA-N,3,1,0.385,92,128,433.863,2.918,5,0.416,0.63,1.0,0.40447022136933725,0.4851620862175314,0.2088016585566445,0.2103180042491947,0.327187992598177
EOS-3-20045,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cnccn1,MDXTZQHVTUQTJW-UHFFFAOYSA-N,3,1,0.576,35,325,431.406,3.543,5,0.38,0.72,1.0,0.9464053183469262,0.9139024055924885,0.732412103351381,0.7112774998286615,0.8259993317798643
EOS-3-20046,CNC(=O)c1ccc(-c2nnc3cncc(-c4[nH]c(-c5ccccn5)nc4-c4ccccc4)n23)cn1,BHRFSPGPLPIQGT-UHFFFAOYSA-N,3,1,0.323,30,945,473.5,3.665,6,0.391,0.81,0.24,0.09275409499006236,0.08801658556644507,0.17184394489753957,0.1578370228222877,0.12761291206908368
EOS-3-20047,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)cc1,YKBFTWILUFUBNP-UHFFFAOYSA-N,3,1,0.333,42,762,421.424,3.304,6,0.426,0.71,1.0,0.23114419847851414,0.10699232403536427,0.26210506476595163,0.24820094578849977,0.21211063326708246
EOS-3-20049,Cc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccncc5F)n34)c2)nc1,AJQBGCZFWGWPQV-UHFFFAOYSA-N,3,1,0.518,16,772,431.406,3.809,5,0.418,0.67,1.0,0.8771759989034337,0.8008189980124735,0.7426495785072991,0.7027876773353438,0.7808580631896375
EOS-3-20050,Cc1ccc(-c2nnc3cncc(OCc4cncnc4-c4ccc(F)cn4)n23)c(F)c1,IUVJRAISUQKRRG-UHFFFAOYSA-N,3,1,0.483,59,109,431.406,3.809,5,0.418,0.67,1.0,0.8884757727366185,0.8243866081831266,0.6989411280926598,0.6859965046946748,0.7744500034267698
EOS-3-20051,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)n1C,IXRVOMAJZDWEKW-UHFFFAOYSA-N,3,1,0.414,92,185,435.398,3.415,5,0.413,0.71,0.905,0.4791909396203139,0.5082842162977178,0.32456651360427663,0.2631502295935851,0.3937979747789733
EOS-3-20052,Cc1cc(F)c(-c2cc(-c3nnc4cncc(CCc5ccc(F)cc5)n34)ncn2)cn1,UYMYSCDHPGEDAN-UHFFFAOYSA-N,3,1,0.33,44,130,429.434,4.015,5,0.42,0.75,0.999,0.36654444520594887,0.38603419916386816,0.679931121924474,0.6972020423548763,0.5324279521622919
EOS-3-20053,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)ccn2)ncn1,JBTXOCFLKOQYNX-UHFFFAOYSA-N,3,1,0.462,7,486,431.847,2.974,5,0.413,0.63,1.0,0.4551093139606607,0.5039065177164005,0.28069529161812073,0.28399355767253787,0.38092617024192993
EOS-3-20054,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cc2)n1,NZFYNLITTMAQBW-UHFFFAOYSA-N,3,1,0.333,42,339,438.476,4.335,6,0.4,0.74,1.0,0.1783805085326571,0.1802737989171407,0.2336885751490645,0.2307072853128641,0.20576254197793162
EOS-3-20055,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cs1,AGKUEVVYTUNSDK-UHFFFAOYSA-N,3,1,0.529,24,912,435.9,4.246,5,0.407,0.76,1.0,0.6229268041943664,0.5727331916935097,0.4278579261188404,0.4322698923994243,0.5139469536015352
EOS-3-20056,Cn1ncnc1-c1cc(Cl)nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,QJDLSLYNCRQJCH-UHFFFAOYSA-N,3,1,0.415,46,128,454.281,3.263,5,0.373,0.7,0.997,0.44793879788910973,0.5496881639366733,0.2951905284079227,0.39430128161195255,0.4217796929614146
EOS-3-20057,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)cn(C)c2=O)cn1,LPVCDTHDSMKJHL-UHFFFAOYSA-N,3,1,0.426,65,552,441.455,1.667,5,0.387,0.66,1.0,0.25036837776711673,0.028519292714687138,0.10377972722911384,0.07765060653827702,0.11507950106229867
EOS-3-20058,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)cc1)N1CCOCC1,QOKVRRTXGWCZSL-UHFFFAOYSA-N,3,1,0.47,52,376,481.491,3.527,6,0.387,0.83,1.0,0.09511856623946269,0.05172709204304023,0.06462888081694194,0.16828867109862244,0.09494080254951683
EOS-3-20059,Cn1nnnc1-c1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,LTBMTYDQHHHECM-UHFFFAOYSA-N,3,1,0.38,98,63,467.884,3.154,6,0.384,0.67,1.0,0.2228257144815297,0.46776266191487903,0.12034815982454938,0.25715338222191764,0.2670224796107189
EOS-3-20060,Cc1nc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)c(F)c2)n(C)n1,JEEQRZYFGDQBMA-UHFFFAOYSA-N,3,1,0.308,98,882,467.472,2.892,6,0.388,0.67,1.0,0.1538705366321705,0.21679459941059556,0.12323521348776643,0.1312281543417175,0.1562821259680625
EOS-3-20061,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1F,SFROORPGWCILHY-UHFFFAOYSA-N,3,1,0.547,26,125,433.422,3.487,5,0.408,0.66,1.0,0.8461979987663628,0.6937581385785758,0.7799842368583373,0.7456994037420328,0.7664099444863272
EOS-3-20062,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5ccccc5Cl)n4)n23)cc1,NMZOQIMBQOHFMN-UHFFFAOYSA-N,3,1,0.584,34,210,439.262,4.727,5,0.391,0.82,1.0,0.8192807209923926,0.8488880131587965,0.5986224384894798,0.7611712699609349,0.756990610650401
EOS-3-20063,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)cn5)ccn4)n23)nc1,PVSPBIQCUVBJBM-UHFFFAOYSA-N,3,1,0.433,33,348,420.436,3.402,5,0.425,0.72,1.0,0.45277911041052704,0.42800356384072374,0.532956959769721,0.45756802138304437,0.46782691385100406
EOS-3-20064,Cc1cc(-c2nnnn2C)cc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,KCYJKHWAALYAPY-UHFFFAOYSA-N,3,1,0.357,61,917,412.417,1.451,5,0.467,0.81,1.0,0.08115447878829415,0.02373038174216983,0.05509389349599068,0.03432766774038791,0.04857660544171065
EOS-3-20065,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cn2)n1,PLHGDLUDVLTVPH-UHFFFAOYSA-N,3,1,0.296,99,968,438.415,1.797,6,0.396,0.63,1.0,0.17006202453567268,0.10028442190391337,0.01845315605510246,0.01618292097868549,0.0762456308683435
EOS-3-20066,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cn2)cn1,GLDOQMRLZMUPSU-UHFFFAOYSA-N,3,1,0.316,86,790,420.396,2.755,6,0.419,0.72,1.0,0.2120228222877116,0.13682235624700156,0.1847971352203413,0.19021143170447535,0.1809634363648825
EOS-3-20067,Cc1csc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)n1,UOFNFBNFTUAVOS-UHFFFAOYSA-N,3,1,0.308,42,608,449.503,4.137,6,0.395,0.74,1.0,0.07890994448632718,0.13683092317181825,0.14992975121650332,0.1447981632513193,0.127617195531492
EOS-3-20068,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2)nn1,ZJWYVPBPQZCJPW-UHFFFAOYSA-N,3,1,0.309,8,927,437.402,2.425,6,0.409,0.6,0.999,0.01802480981426907,0.12977177712288396,0.18480570214515799,0.23652422726338154,0.14228162908642314
EOS-3-20069,Cn1ncnc1-c1cnc(F)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,NYLQJQPRIGYYIR-UHFFFAOYSA-N,3,1,0.536,36,610,437.826,2.748,5,0.386,0.69,0.994,0.6458347611541361,0.7926718525118224,0.23705537660201495,0.32708518950037696,0.5006617949420875
EOS-3-20070,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,IWBXANQFAOJANQ-UHFFFAOYSA-N,3,1,0.575,48,636,408.849,2.821,4,0.493,0.89,1.0,0.7550630525666506,0.5538945240216572,0.35444794736481394,0.28090946473853745,0.48607874717291477
EOS-3-20071,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nnc2C)cn1,WUBKJPVPXIIEFY-UHFFFAOYSA-N,3,1,0.347,92,924,448.878,2.796,5,0.385,0.68,0.926,0.27941881982043726,0.3139520937564252,0.06874957165375917,0.06825269001439244,0.1825932938112535
EOS-3-20072,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nc1,VHDAVZKWKSUQRD-UHFFFAOYSA-N,3,1,0.623,34,32,421.823,3.744,5,0.43,0.76,1.0,0.6705846069494894,0.805033925022274,0.7040384483585772,0.7586440271400178,0.7345752518675895
EOS-3-20073,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cn4)n23)cn1,DQMJZLIWTKGRAV-UHFFFAOYSA-N,3,1,0.3,70,957,422.412,2.699,6,0.421,0.67,1.0,0.0877681447467617,0.0237389486669865,0.14657151668836954,0.15236275786443698,0.10261034199163868
EOS-3-20074,c1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)cnn5)n34)cn2)cc1,VNXQSFSQZZAWKC-UHFFFAOYSA-N,3,1,0.299,30,945,429.447,3.767,6,0.417,0.68,0.707,0.10993934617229799,0.11014495236789802,0.46387327804811185,0.5041806593105339,0.2970345589747104
EOS-3-20075,Cn1c(-c2ccccc2Cl)nnc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,GEVYAOPAFBBGAH-UHFFFAOYSA-N,3,1,0.417,8,474,455.869,3.957,6,0.392,0.71,1.0,0.20367863751627716,0.32840449592214377,0.21563806456034543,0.3626379274895484,0.2775897813720787
EOS-3-20076,Cc1nc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)ncc1F,SFXLTAMEQWAHRM-UHFFFAOYSA-N,3,1,0.382,65,658,430.407,1.897,5,0.394,0.64,1.0,0.6257624563086834,0.5039150846412171,0.06875813857857584,0.06638510040435885,0.31620519498320876
EOS-3-20077,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(Cl)cn5)cn4)n23)cc1,BONJRDMAICGMQO-UHFFFAOYSA-N,3,1,0.395,14,886,427.899,4.39,5,0.413,0.74,1.0,0.33650880679871154,0.4589387293537112,0.49160441367966556,0.5238760194640532,0.4527319923240354
EOS-3-20078,Cc1nn(CC(=O)N(C)C)nc1Cc1cncc2nnc(-c3ccc(C(F)(F)F)nn3)n12,WRKQJOWEFIMEJE-UHFFFAOYSA-N,3,1,0.287,78,455,446.397,1.179,4,0.448,0.59,0.014,0.12341511890891646,0.14066033856486876,0.026146254540470152,0.008121444726201082,0.07458578918511412
EOS-3-20079,Cn1cc(-c2ncc(-c3nnc4cncc(-c5ccc(C(=O)NCC(F)F)cc5F)n34)cn2)cn1,DBORVBOCHVCIBA-UHFFFAOYSA-N,3,1,0.339,50,489,479.426,2.783,5,0.398,0.73,1.0,0.20368720444109384,0.30878623809197453,0.5794667945994106,0.4788653964772805,0.3927014084024399
EOS-3-20080,Cc1csc(-c2cc(F)ccc2-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)n1,QURXUKRVBLSMQA-UHFFFAOYSA-N,3,1,0.341,25,791,469.509,4.22,6,0.381,0.78,1.0,0.1482335001028031,0.31396066068124184,0.25840415324515115,0.3237697895963265,0.26109202590638064
EOS-3-20081,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)nc5)nc4)n23)nc1,USZNUCFITSRUPS-UHFFFAOYSA-N,3,1,0.329,86,780,451.429,2.64,6,0.372,0.67,1.0,0.10252895620588033,0.2118686176410116,0.24777259954766637,0.26315879651840174,0.20633224247824
EOS-3-20082,COc1cc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)ccc1-c1cncn1C,HQDWWCHPNKRTSM-UHFFFAOYSA-N,3,1,0.478,36,224,428.456,2.878,5,0.407,0.67,1.0,0.28766876841888833,0.12290967034473306,0.2881742169830718,0.14729113837296964,0.2115109485299157
EOS-3-20083,Cc1ccnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)n1,HHYOYFBISXIGNR-UHFFFAOYSA-N,3,1,0.301,32,126,442.486,4.681,6,0.391,0.76,1.0,0.12062230141868276,0.11015351929271469,0.38445788499760125,0.384851963539168,0.2500214173120417
EOS-3-20084,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4cncc(Cl)c4)ccn3)n12,BRZXEBFMLSCISD-UHFFFAOYSA-N,3,1,0.462,18,840,447.861,4.057,5,0.387,0.71,1.0,0.7370896443012817,0.7410218627921321,0.7399252964155987,0.7758721129463367,0.7484772291138373
EOS-3-20085,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cn4)n23)n1,SZVDBYAUDFZXIM-UHFFFAOYSA-N,3,1,0.338,76,387,449.453,3.85,6,0.403,0.68,0.988,0.12063086834349941,0.202419299568227,0.37706462888081693,0.4606092796929614,0.29018101912137617
EOS-3-20086,COc1nnc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(F)c(F)c1,RONFCOIUQXMMGB-UHFFFAOYSA-N,3,1,0.511,19,207,461.432,3.552,5,0.363,0.75,0.999,0.7895020903296552,0.64996401891577,0.6170156260708656,0.5733328764306764,0.6574536529367419
EOS-3-20088,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(CF)cn5)n34)c(C#N)c2)nn1,DOWZOKSLOKGMLH-UHFFFAOYSA-N,3,1,0.423,4,677,453.441,3.267,5,0.38,0.68,1.0,0.55026214789939,0.5447279144678226,0.4392690699746419,0.3658333904461654,0.47502313069700497
EOS-3-20089,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5F)ncn4)n23)cc1,CXMPLIPZTVFHNY-UHFFFAOYSA-N,3,1,0.321,38,882,450.441,3.245,6,0.376,0.67,1.0,0.11261222671509835,0.19768179014460968,0.37322664656294974,0.36891748338016583,0.2631095367007059
EOS-3-20090,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(F)c5)c4)n23)cc1F,HDWOJCYCROLEGQ-UHFFFAOYSA-N,3,1,0.463,97,788,473.443,3.465,5,0.376,0.77,1.0,0.7126910424234117,0.43717017339455827,0.7373723528202316,0.6277157151668837,0.6287373209512713
EOS-3-20091,COc1ncccc1COc1cncc2nnc(-c3ccc(-c4nnc(C)s4)nc3)n12,MVIYTGWPHGQEEU-UHFFFAOYSA-N,3,1,0.435,55,617,432.469,2.996,5,0.399,0.71,0.999,0.3804571311082174,0.3087948050167912,0.0687667055033925,0.03216880268658762,0.19754686107874717
EOS-3-20092,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)cn4)n23)nc1,KCSCVVHGIYTFBO-UHFFFAOYSA-N,3,1,0.444,46,959,424.399,3.233,5,0.395,0.73,1.0,0.597585840586663,0.6694794736481393,0.7245133986704133,0.6832293879788911,0.6687020252210267
EOS-3-20093,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nc(Cl)n2)nc1,WNOAGDJSDXALTQ-UHFFFAOYSA-N,3,1,0.548,73,539,448.849,3.718,5,0.375,0.71,1.0,0.8938386676718525,0.9269498320882736,0.39550065108628607,0.43824103899664174,0.6636325474607634
EOS-3-20094,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6F)nn5)n34)cn2)ccn1,AASDNNZIFORBLW-UHFFFAOYSA-N,3,1,0.277,10,705,454.404,3.169,6,0.374,0.67,1.0,0.011402576930984855,0.14800219313275306,0.5054913988074841,0.5474093619354397,0.30307638270166537
EOS-3-20095,Cc1ccc(-c2nnc3cncc(-c4ccncc4OCc4ccc(F)c(F)c4)n23)nn1,CISMNTZBHGFQQU-UHFFFAOYSA-N,3,1,0.391,54,294,431.406,3.809,5,0.418,0.68,0.996,0.527208553217737,0.512636214104585,0.772950791583853,0.7431550270714824,0.6389876464944144
EOS-3-20096,Cn1ncnc1-c1ccc(Oc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nc1,SZXZDPRKMLKNDB-UHFFFAOYSA-N,3,1,0.376,94,892,449.438,2.626,6,0.386,0.67,1.0,0.3291755191556439,0.19769035706942636,0.08929305736412857,0.07765917346309369,0.17345452676307313
EOS-3-20097,Cc1ncc(-c2cc(-c3nnc4cncc(C(F)(F)c5ccccc5)n34)ccn2)c(C)n1,DJNARKWPIFLHAI-UHFFFAOYSA-N,3,1,0.376,14,81,429.434,4.4,5,0.421,0.7,1.0,0.24477417586183264,0.2781252141731204,0.9009834829689535,0.8055393735864574,0.5573555616475909
EOS-3-20098,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)nc1,BCVDBZHZEUEIIF-UHFFFAOYSA-N,3,1,0.416,46,980,453.293,3.868,5,0.399,0.7,1.0,0.5975944075114796,0.5039236515660338,0.6344064834487012,0.6771811390583237,0.6032764203961346
EOS-3-20099,Fc1ccccc1-c1ncoc1-c1cncc2nnc(-c3cnc(-c4ccccc4)nc3)n12,CHWMOLKQPRVTAX-UHFFFAOYSA-N,3,1,0.373,30,553,435.422,4.709,6,0.396,0.78,1.0,0.3365173737235282,0.39536358028921936,0.543091631827839,0.6192601603728326,0.4735581865533548
EOS-3-20100,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)nc1,QKAKZMZKNBAOSA-UHFFFAOYSA-N,3,1,0.528,75,420,432.394,2.938,5,0.403,0.63,1.0,0.8115876225070249,0.7132393256116785,0.41684942772942224,0.42908299636762387,0.5926898430539373
EOS-3-20101,Cc1nnsc1-c1noc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,HJOIVEFZHFLAIA-UHFFFAOYSA-N,3,1,0.311,30,945,439.464,3.73,6,0.404,0.7,1.0,0.07663970940991022,0.14066890548968541,0.033076896717154414,0.06639366732917552,0.07919479473648139
EOS-3-20102,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)c1,KHBJCAZPYPFQBL-UHFFFAOYSA-N,3,1,0.302,32,957,446.449,4.511,6,0.393,0.75,1.0,0.2503769446919334,0.3479028168048797,0.6879840312521417,0.7139075457473785,0.5000428346240833
EOS-3-20103,c1cnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cncs6)n5)n34)cc2)nc1,IYHJMSUQARNYIN-UHFFFAOYSA-N,3,1,0.315,42,608,436.464,3.224,6,0.41,0.64,1.0,0.107437804125831,0.17605030498252347,0.12586525940648344,0.15494140223425398,0.141073692687273
EOS-3-20104,O=c1cccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccccc6)n5)n34)cn2)[nH]1,ZPFSIGOXEQHKPI-UHFFFAOYSA-N,3,1,0.316,30,757,445.446,3.061,6,0.439,0.61,0.662,0.2447827427866493,0.17152696867932288,0.2408162565965321,0.27488691659242,0.23300322116373107
EOS-3-20105,CCc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1nccc(C)n1,SRJLPTWFDZCRKR-UHFFFAOYSA-N,3,1,0.449,18,690,438.495,3.531,5,0.38,0.68,1.0,0.4527876773353437,0.2731478308546364,0.10111541361113015,0.07388972654375985,0.22523516208621752
EOS-3-20106,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)cn1,XJSMCOYCIGWZNP-UHFFFAOYSA-N,3,1,0.301,98,620,442.83,3.137,6,0.378,0.68,1.0,0.027534096360770338,0.1406774724145021,0.3245750805290933,0.39430984853676926,0.22177412446028374
EOS-3-20107,Fc1cc(-c2c[nH]nn2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,VRCBVCXNCFNCEQ-UHFFFAOYSA-N,3,1,0.317,9,7,424.403,3.168,6,0.445,0.65,1.0,0.3036203824275238,0.3192293194434926,0.5733157425810431,0.5888561441984785,0.4462553971626345
EOS-3-20108,Fc1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)n2)ccn1,HVXFMGACRCFZFB-UHFFFAOYSA-N,3,1,0.301,30,136,448.425,3.301,6,0.374,0.69,0.158,0.24479130971146598,0.30880337194160784,0.23369714207388115,0.31163902405592486,0.27473271194571997
EOS-3-20109,Cc1cnc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)cn5)n34)cn2)cn1,DBHARQRQBFOEBD-UHFFFAOYSA-N,3,1,0.395,85,674,449.4,3.351,5,0.411,0.63,1.0,0.3239154273182099,0.43262970324172434,0.72452196559523,0.5408128298266054,0.5054699814954424
EOS-3-20110,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnccc5C#N)n34)cn2)cn1,GAHBDGPPVDEZGT-UHFFFAOYSA-N,3,1,0.429,55,282,421.424,2.797,5,0.421,0.73,1.0,0.6342265780275512,0.5400675073675554,0.4777259954766637,0.36892605030498254,0.5052365327941882
EOS-3-20111,c1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc(-c2cncnc2)c1,FOKXLIYZNLCSFU-UHFFFAOYSA-N,3,1,0.5,40,190,447.462,3.612,6,0.411,0.65,1.0,0.6519943800973202,0.45894729627852787,0.54990233705709,0.4910818312658488,0.5379814611746968
EOS-3-20112,Fc1ccc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)cc2)cn1,KOQPAFQBXBAKJJ-UHFFFAOYSA-N,3,1,0.353,14,81,418.823,3.422,5,0.412,0.73,1.0,0.39169693646768555,0.42360016448495647,0.5397590980741553,0.6396066068124187,0.498665701459804
EOS-3-20113,Clc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cn1,YNTROAZTCDLMPL-UHFFFAOYSA-N,3,1,0.338,42,608,453.853,4.014,6,0.364,0.76,1.0,0.23681550270714824,0.3717788362689329,0.30249811527654036,0.3818364060037009,0.32323221506408056
EOS-3-20114,COc1cc(-c2nnc3cncc(-c4cccnc4-c4ccc(C#N)nc4)n23)ccc1Cl,JTCKZCPXCFTFCL-UHFFFAOYSA-N,3,1,0.33,96,697,439.866,4.449,5,0.407,0.73,1.0,0.5065793982592008,0.5975687067370297,0.8281560551024604,0.8074926324446576,0.6849491981358371
EOS-3-20115,COc1ncccc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,VHUJOHATPZPKPH-UHFFFAOYSA-N,3,1,0.354,9,697,415.844,3.972,5,0.438,0.82,1.0,0.45511788088547733,0.4677712288396957,0.539767664998972,0.5207833596052361,0.4958600335823453
EOS-3-20116,Cc1cc(-c2nnc3cncc(OCc4nccc(-c5cn(C)nc5C)n4)n23)ccc1Cl,HZQBCBSPGORKIJ-UHFFFAOYSA-N,3,1,0.472,16,677,446.902,3.831,5,0.404,0.73,1.0,0.40447878829415396,0.5727417586183263,0.32813892125282706,0.30544513741347407,0.40270115139469537
EOS-3-20117,NC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnc5F)s4)n23)cn1,IXQOCDSMXZVOBY-UHFFFAOYSA-N,3,1,0.467,4,617,449.431,1.917,5,0.384,0.68,1.0,0.3939414707696525,0.3717874031937496,0.04274895483517237,0.03746316222328833,0.21148524775546568
EOS-3-20118,Fc1cnc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)c(Br)c5)n34)nn2)cn1,VBBRISVZXXYDQQ-UHFFFAOYSA-N,3,1,0.38,22,844,472.669,3.384,5,0.397,0.72,1.0,0.05104173805770681,0.37179597011856624,0.5297186621890206,0.6771897059831403,0.40743651908710854
EOS-3-20119,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)no4)n23)nc1,CTMPDHMCVAZYBE-UHFFFAOYSA-N,3,1,0.381,6,502,453.426,2.006,6,0.364,0.74,0.983,0.35497909670344735,0.19309848536769242,0.05680727845932424,0.04909704612432321,0.1634954766636968
EOS-3-20120,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)cc1,JBJSPSCQONCYLX-UHFFFAOYSA-N,3,1,0.314,10,158,470.859,3.684,6,0.383,0.74,0.867,0.06312966897402508,0.2940511274073059,0.32458364745390994,0.5443424028510726,0.30652671167157836
EOS-3-20121,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5ccccc5)nn4)n23)cc1Cl,OMMVFHCWHKFNAW-UHFFFAOYSA-N,3,1,0.358,3,298,470.859,3.684,6,0.383,0.74,0.91,0.12063943526831608,0.4050870399561373,0.39167980261805224,0.579715235419094,0.3742803783153999
EOS-3-20122,Cc1ncnc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c2C)n1,GZNHGCCBWFOIDZ-UHFFFAOYSA-N,3,1,0.462,36,51,461.436,3.567,5,0.374,0.74,1.0,0.6644763895552053,0.6118412034815982,0.42786649304365704,0.35913405523953124,0.515829535329998
EOS-3-20123,Cc1nccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)nc2F)n1,OZGSGZXTZIKTQQ-UHFFFAOYSA-N,3,1,0.426,44,223,449.396,3.948,5,0.375,0.73,1.0,0.8192892879172092,0.7756151052018367,0.8052480981426907,0.7785192927146871,0.794667945994106
EOS-3-20124,COc1cc(-c2nncc(C)n2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,MGGFKCJHIYYNBP-UHFFFAOYSA-N,3,1,0.489,20,658,441.455,2.372,5,0.371,0.66,1.0,0.41554725515728874,0.14425844698786924,0.10625556850113084,0.058632033445274484,0.18117332602289082
EOS-3-20126,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)nc2)cn1,BROBAMQRHANYHB-UHFFFAOYSA-N,3,1,0.321,86,967,450.441,3.245,6,0.376,0.68,1.0,0.102537523130697,0.21187718456582824,0.43155883763964087,0.4066547871975876,0.2881570831334384
EOS-3-20127,Cc1ccc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)nn1,IMBHCKQYENQBNF-UHFFFAOYSA-N,3,1,0.474,15,628,444.886,3.622,5,0.391,0.67,1.0,0.6313652251387842,0.7585754917414845,0.24426872729764923,0.2840021245973545,0.4795528921938181
EOS-3-20128,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c(F)c1,BDNDGVMECQRQHL-UHFFFAOYSA-N,3,1,0.494,67,722,455.413,3.568,6,0.384,0.7,1.0,0.5890703173188953,0.5634295113426084,0.4315674045644575,0.3943184154615859,0.49459641217188677
EOS-3-20129,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1,FPWIJRGMHPQPQR-UHFFFAOYSA-N,3,1,0.489,65,324,431.847,2.708,5,0.374,0.7,1.0,0.7069597697210609,0.8351380988280447,0.19487183880474265,0.2072082105407443,0.4860444794736481
EOS-3-20130,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)ncn1,BOBGRCLVKISSGZ-UHFFFAOYSA-N,3,1,0.505,11,275,427.443,3.712,5,0.408,0.71,1.0,0.8848605304639846,0.8385477349050785,0.5019189911589336,0.4699729285175793,0.673825046261394
EOS-3-20131,Cc1nn(C)cc1-c1cnc(C)c(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)n1,QVWXBYHZIPEVFR-UHFFFAOYSA-N,3,1,0.394,31,128,447.89,3.226,5,0.404,0.68,1.0,0.34344801590021246,0.4236087314097731,0.10112398053594682,0.10630697005003084,0.24362192447399084
EOS-3-20132,Cc1ncc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cn1,YRJMYWRLOZOUOU-UHFFFAOYSA-N,3,1,0.422,46,969,447.861,4.323,5,0.396,0.72,1.0,0.8462065656911795,0.8488965800836132,0.7821945034610376,0.7735590432458365,0.8127141731204167
EOS-3-20133,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)cn1,CSOBKZRKFVBYAH-UHFFFAOYSA-N,3,1,0.291,42,762,419.452,3.644,6,0.468,0.72,0.996,0.10744637105064767,0.06711328901377561,0.3653964772805154,0.3430111027345624,0.22074181001987525
EOS-3-20134,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)c(Cl)c5)nn4)n23)cc1,FDODKGVBUVGKLC-UHFFFAOYSA-N,3,1,0.318,3,39,472.875,3.627,6,0.386,0.73,1.0,0.027542663285587007,0.2573932561167843,0.5297272291138373,0.6220358440134329,0.35917474813241035
EOS-3-20135,CCn1nc(C)cc1-c1ccc(-c2nnc3cncc(OCc4nccc(C)n4)n23)cn1,KICVDHWXANRBEE-UHFFFAOYSA-N,3,1,0.392,92,986,427.472,3.056,5,0.407,0.74,1.0,0.2338684805702145,0.1442670139126859,0.04423959975327257,0.021331642793502845,0.11092668425741896
EOS-3-20136,Fc1cccnc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)c1,BRLLRZDYNRNOSQ-UHFFFAOYSA-N,3,1,0.368,42,106,446.449,4.511,6,0.393,0.72,1.0,0.33879617572476184,0.38145089438695085,0.6313309574395175,0.6653245151120554,0.5042256356658213
EOS-3-20137,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)cc2)nc1,GWEFCTSAFYXUQM-UHFFFAOYSA-N,3,1,0.338,38,983,446.449,4.511,6,0.393,0.72,1.0,0.31899801247344256,0.3860427660886848,0.605064765951614,0.6101792200671647,0.4800711911452265
EOS-3-20138,OCc1nnc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)s1,QFALDYDGZHDTHA-UHFFFAOYSA-N,3,1,0.435,51,196,452.887,2.825,5,0.414,0.69,1.0,0.5217942567336029,0.5265060653827702,0.10378829415393051,0.142330888904119,0.3236048762936057
EOS-3-20139,Cc1cccc(-c2ncncc2-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)n1,SHASISWJQUDYRN-UHFFFAOYSA-N,3,1,0.42,58,602,445.874,3.017,5,0.388,0.66,0.826,0.5321259680625042,0.5883164279350285,0.12587382633130012,0.15494996915907067,0.35031654787197586
EOS-3-20140,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)cn1,GILCZOZZQFJJHX-UHFFFAOYSA-N,3,1,0.301,9,57,435.426,3.84,6,0.419,0.65,0.999,0.2338770474950312,0.2731563977794531,0.6523713247892536,0.6511291206908368,0.45263347268864373
EOS-3-20141,Fc1cccnc1-c1ncc(-c2nnc3cncc(-c4cnc(-c5cncnn5)nc4)n23)cn1,KKUDUFMJODCDGT-UHFFFAOYSA-N,3,1,0.305,86,780,450.401,2.091,6,0.389,0.6,1.0,0.22017853471317936,0.27813378109793707,0.1062641354259475,0.14480673017613596,0.18734579535329998
EOS-3-20142,Cc1ncc(-c2nnc3cncc(OCc4c(F)c(Cl)cc(F)c4Cl)n23)cn1,NKBVZNREQQEWBC-UHFFFAOYSA-N,3,1,0.526,90,811,423.21,4.054,4,0.461,0.68,1.0,0.8320111712699609,0.8420087725310123,0.9278493591940237,0.9342145843328079,0.8840209718319512
EOS-3-20143,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cc1,SDQRUBHFEOTTDJ-UHFFFAOYSA-N,3,1,0.321,39,449,464.88,3.816,6,0.383,0.71,1.0,0.2036957713659105,0.3038859570968405,0.34667774655609623,0.4669659379069289,0.330306353231444
EOS-3-20144,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)cn1,RNCKTRFIRLWSOV-UHFFFAOYSA-N,3,1,0.333,50,974,413.405,0.798,5,0.452,0.77,1.0,0.16474196422452198,0.07086560208347611,0.017647865122335685,0.008130011651017751,0.06534636077033788
EOS-3-20145,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)nc2)n1C,HCQWTNGOEUELNZ-UHFFFAOYSA-N,3,1,0.286,86,114,447.466,2.809,6,0.401,0.61,0.932,0.056199026797340824,0.0344904393119046,0.028356521143170447,0.0332910698375711,0.03808426427249674
EOS-3-20147,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)ccn1,KGFHMXZDATZKOS-UHFFFAOYSA-N,3,1,0.6,11,595,430.418,4.148,5,0.377,0.76,1.0,0.9639760811459118,0.9457370982112261,0.8318141319991775,0.8165136042766089,0.8895102289082311
EOS-3-20148,Cn1nnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)c2)n1,JACYTZFTEHQVLT-UHFFFAOYSA-N,3,1,0.553,37,161,451.853,2.791,5,0.387,0.66,1.0,0.5373089575765883,0.5780703858542937,0.36540504420533204,0.4416592419984922,0.4806109074086765
EOS-3-20150,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)nc1,KTVWDWGUAXLGFP-UHFFFAOYSA-N,3,1,0.392,31,602,452.841,2.186,5,0.381,0.65,0.999,0.5605338907545747,0.517228085806319,0.11457405249811528,0.1605270372147214,0.3382157665684326
EOS-3-20151,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)[nH]n2)nn1,AIZGAIQNXOQXPY-UHFFFAOYSA-N,3,1,0.295,98,882,424.432,1.772,6,0.453,0.63,1.0,0.05788671098622439,0.0634980467411418,0.07082276745939278,0.06640223425399219,0.06465243986018779
EOS-3-20152,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)n6)cn5)n34)cc2)n1,MMBYHLFSZPUEOF-UHFFFAOYSA-N,3,1,0.277,32,339,449.453,3.85,6,0.377,0.71,1.0,0.12064800219313275,0.17605887190734015,0.4709152902474128,0.4788739634020972,0.31162403193749577
EOS-3-20153,Fc1ncccc1-c1cncc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,GVPCXWRDINBWLT-UHFFFAOYSA-N,3,1,0.517,2,31,433.834,4.015,5,0.386,0.75,1.0,0.637199300938935,0.722380234391063,0.7475155918031663,0.7637670481803852,0.7177155438283873
EOS-3-20154,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4)n23)ncc1F,JXHQNYYXHVLRKL-UHFFFAOYSA-N,3,1,0.484,65,263,447.409,2.641,5,0.387,0.68,1.0,0.8036203824275238,0.779787197587554,0.15579809471592077,0.16053560413953807,0.47493531971763414
EOS-3-20155,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)ccc1F,IIRKJNDCDOAYGE-UHFFFAOYSA-N,3,1,0.43,46,338,432.394,3.204,5,0.39,0.71,1.0,0.6313737920636009,0.5634380782674251,0.4096446439586046,0.36584195737098213,0.49257461791515317
EOS-3-20157,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cnn(C)c1,STRVJFXYESJTRR-UHFFFAOYSA-N,3,1,0.453,31,690,446.902,3.565,5,0.393,0.69,0.996,0.4596069494894113,0.4766808306490302,0.33197690357069426,0.3085120964978411,0.39419419505174425
EOS-3-20158,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnnn6C)cn5)n34)nc2)nn1,HEXPIBMWBAZKEU-UHFFFAOYSA-N,3,1,0.26,99,286,438.419,0.629,6,0.38,0.63,1.0,0.018907203070385854,0.021477280515386197,0.008404153245151121,0.0062024535672674935,0.013747772599547667
EOS-3-20159,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nn2C)nc1,KUJZPATWKPDODB-UHFFFAOYSA-N,3,1,0.418,92,62,433.863,2.918,5,0.416,0.66,1.0,0.354987663628264,0.32386402576930984,0.14658008361318622,0.1682972380234391,0.24843225275854977
EOS-3-20160,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)c1,GQDLFVJWOYMXBG-UHFFFAOYSA-N,3,1,0.33,10,871,451.881,4.149,6,0.397,0.71,0.825,0.02631759303680351,0.1843173874306079,0.3807484065519841,0.5041892262353506,0.2738931533136865
EOS-3-20161,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cn(C)nn5)c4)n23)cn1,BYWGLJDJVGXOGP-UHFFFAOYSA-N,3,1,0.494,4,134,416.42,3.008,5,0.435,0.77,1.0,0.4155558220821054,0.4589558632033445,0.5054999657323007,0.4290915632924405,0.4522758035775478
EOS-3-20162,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(-c2nnco2)n1,QMTRHCCQKGONRI-UHFFFAOYSA-N,3,1,0.628,43,97,423.795,3.608,5,0.395,0.72,1.0,0.9464138852717429,0.9377270235076417,0.6375248440819683,0.6832379549037078,0.8012259269412652
EOS-3-20163,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,GYWPFGJLEXLALV-UHFFFAOYSA-N,3,1,0.5,56,425,452.442,1.741,6,0.396,0.66,1.0,0.4504489068603934,0.257401823041601,0.06659927352477554,0.06018264683709136,0.20865816256596534
EOS-3-20164,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)cn5)cc4)n23)cc1,IVBNTPGRXQUFPV-UHFFFAOYSA-N,3,1,0.564,1,230,428.883,4.789,5,0.4,0.79,1.0,0.9130028784867384,0.880748406551984,0.790564389006922,0.7663199917757522,0.8376589164553492
EOS-3-20165,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)nc2C)c1,ACCPUCAIXDQIBK-UHFFFAOYSA-N,3,1,0.407,53,587,424.468,3.543,5,0.422,0.7,0.991,0.33159995887876087,0.1760674388321568,0.18144746761702418,0.1156877527242821,0.20120065451305597
EOS-3-20166,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ncc(-c5cnc(F)cn5)cc4F)n23)cc1,SBRUQYAKVJCZSO-UHFFFAOYSA-N,3,1,0.378,52,916,484.47,3.405,6,0.393,0.86,1.0,0.23115276540333082,0.20705400589404427,0.3281474881776438,0.3914741964224522,0.28945711397436774
EOS-3-20167,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cncc(-c4cncc(F)c4)c3)n12,FBZVIYSSYZODOM-UHFFFAOYSA-N,3,1,0.5,65,349,430.447,3.051,5,0.408,0.71,1.0,0.4044873552189706,0.4191796312795559,0.3427455280652457,0.32075423206085946,0.3717916866561579
EOS-3-20168,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnc(F)c6)nc5)n34)cn2)n1,QKEVGUYSFYLXER-UHFFFAOYSA-N,3,1,0.313,86,780,452.417,2.035,6,0.365,0.67,1.0,0.14824206702761977,0.20706257281886095,0.10379686107874718,0.12488006305256664,0.14599539099444864
EOS-3-20169,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)cc4Cl)n23)n(C)n1,RVILPFSUZVQPPC-UHFFFAOYSA-N,3,1,0.466,36,662,434.891,3.466,5,0.421,0.71,1.0,0.42499657323007334,0.5126447810294017,0.2988914399287232,0.26907854156671923,0.37640283393872936
EOS-3-20170,c1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnco6)nc5)n34)nc2)o1,NFBSVWPDEZTJNO-UHFFFAOYSA-N,3,1,0.362,6,870,426.356,2.474,6,0.397,0.66,1.0,0.4689962990884792,0.3088119388664245,0.11762387773284902,0.09205160715509561,0.24687093071071206
EOS-3-20171,CCn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3cc(Cl)ccc3F)n12,KRDNLKCOPUTVLK-UHFFFAOYSA-N,3,1,0.392,45,252,437.841,4.668,5,0.408,0.79,1.0,0.2905044205332054,0.5265146323075869,0.5499109039819067,0.7534182030018505,0.5300870399561374
EOS-3-20172,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c2)cn1,QYLATLZSXIXVOS-UHFFFAOYSA-N,3,1,0.54,35,265,433.422,3.487,5,0.408,0.68,1.0,0.5718679322870263,0.4898567610170653,0.7729593585086697,0.7244362963470633,0.6397800870399561
EOS-3-20173,Cc1ccc(-c2nnc3cncc(Cc4cnnc(-c5cccc(C(F)(F)F)c5)n4)n23)cc1,HSITVLNJMHOQRF-UHFFFAOYSA-N,3,1,0.38,14,740,447.424,4.561,5,0.402,0.74,1.0,0.44335549311219247,0.54969673086149,0.9350712768144747,0.8934360222054691,0.7053898807484065
EOS-3-20174,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5nnc(Cl)cc5F)n34)c2)cn1,LCDQMWIVPKNYGC-UHFFFAOYSA-N,3,1,0.394,92,711,437.826,2.748,5,0.413,0.65,1.0,0.35499623055308066,0.3670755945445823,0.37323521348776645,0.39432698238640257,0.37240850524295804
EOS-3-20175,CCn1cncc1-c1cc(-c2nnc3cncc(-c4nnn(CCO)n4)n23)ccc1F,XQXNMNAPWFHPMX-UHFFFAOYSA-N,3,1,0.292,50,542,420.412,1.46,5,0.438,0.71,1.0,0.18420601740799122,0.2833510383112878,0.036991981358371596,0.06641080117880885,0.14273995956411484
EOS-3-20176,Fc1cnc(CCOc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)nc1,RVWAGNGAKFJMJU-UHFFFAOYSA-N,3,1,0.529,65,795,414.404,2.799,5,0.418,0.78,1.0,0.7610256322390515,0.7132478925364951,0.28070385854293745,0.28990473579603865,0.5112205297786308
EOS-3-20177,c1cc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cncs6)c5)n34)cn2)ccn1,VBNPKTWBQWGXIU-UHFFFAOYSA-N,3,1,0.333,42,723,434.488,4.434,6,0.405,0.73,1.0,0.06673634432184224,0.16354259475018848,0.4814012062230142,0.47888253032691386,0.2976406689054897
EOS-3-20178,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)ccn2)c(C)n1,GZBQJRGGWFVFRT-UHFFFAOYSA-N,3,1,0.441,75,567,458.913,4.196,5,0.386,0.74,1.0,0.6002758549790967,0.5832533753683777,0.4063977794530875,0.3302378178329107,0.48004120690836816
EOS-3-20179,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4ncccc4F)n23)c1,JFRFZYSINYUVRG-UHFFFAOYSA-N,3,1,0.398,31,643,431.435,2.62,5,0.387,0.68,0.674,0.34122061544787885,0.24261531080803234,0.17185251182235625,0.16565005825508874,0.23033462408333905
EOS-3-20180,CCn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C)nc5)n34)ncn2)c(C)n1,FMXRKNZXHRLHDZ-UHFFFAOYSA-N,3,1,0.447,92,986,427.472,3.056,5,0.407,0.69,1.0,0.2394626824754986,0.19310705229250907,0.09859673771502982,0.04910561304913988,0.14506802138304434
EOS-3-20181,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)c(F)c1,MBAXETOYXWUGFZ-UHFFFAOYSA-N,3,1,0.605,37,393,416.42,2.742,5,0.42,0.77,1.0,0.6974847508738263,0.6069666232609142,0.3844664519224179,0.35569015146323074,0.5111519943800973
EOS-3-20182,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)nn5)ccn4)n23)ccc1Cl,IGFUGIWAULCGAM-UHFFFAOYSA-N,3,1,0.516,4,534,454.881,4.056,5,0.39,0.73,1.0,0.7036872044410938,0.8861541361113014,0.7166232609142622,0.6999862929202934,0.7516127235967377
EOS-3-20183,Cn1nnnc1-c1cc(F)ccc1-c1nnc2cncc(-c3snnc3-c3cncnc3)n12,CLPABXHJVYCUAH-UHFFFAOYSA-N,3,1,0.307,99,112,458.446,2.096,6,0.386,0.67,1.0,0.07088273593310945,0.252552943595367,0.049396888492906584,0.11569631964909875,0.12213222191762045
EOS-3-20184,Cc1ncc(-c2cc(CO)nc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nn1,OERYTJJHUKADSF-UHFFFAOYSA-N,3,1,0.44,31,466,441.455,1.856,5,0.398,0.64,1.0,0.32918408608046057,0.15963607703378796,0.13158796518401755,0.09602666027002947,0.1791086971420739
EOS-3-20185,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)nn1,HQNZWTGNANYGFT-UHFFFAOYSA-N,3,1,0.306,86,790,445.45,2.866,6,0.399,0.63,1.0,0.1292320608594339,0.10364265643204715,0.1622318552532383,0.15237132478925364,0.13686947433349325
EOS-3-20186,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccnn5C)nc4)n23)cc1,JGISRBIJVFCANV-UHFFFAOYSA-N,3,1,0.435,56,42,449.478,3.78,6,0.395,0.71,1.0,0.37350078815708315,0.24262387773284902,0.3544565142896306,0.26637996024946886,0.3092402851072579
EOS-3-20187,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cc(Cl)cnn5)n4)n23)cc1,MCGIVNROVZWZAV-UHFFFAOYSA-N,3,1,0.309,98,882,468.872,2.549,6,0.379,0.67,1.0,0.1396922760605853,0.19311561921732576,0.10113254746076349,0.16830580494825578,0.1505615619217326
EOS-3-20188,CCn1cncc1-c1cccc(-c2nnc3cncc(COc4ccc(C#N)cc4)n23)c1,PSFADCDMOSIVJU-UHFFFAOYSA-N,3,1,0.392,14,18,421.464,4.125,5,0.409,0.79,1.0,0.3939500376944692,0.2476869302994997,0.7064029196079775,0.6336697279144679,0.49542740387910356
EOS-3-20189,COc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ncccn1,BFVKNSXXRRHRBF-UHFFFAOYSA-N,3,1,0.476,18,896,426.44,2.668,5,0.387,0.7,1.0,0.537317524501405,0.23720101432389828,0.13457782194503462,0.08120588033719416,0.24757556027688302
EOS-3-20190,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-n5ncc(F)n5)n4)n23)cc1,YUBHIHYTUYGUNH-UHFFFAOYSA-N,3,1,0.325,98,890,439.418,2.369,6,0.411,0.61,1.0,0.04511342608457268,0.14801076005756975,0.11763244465766569,0.14233945582893565,0.11327402165718595
EOS-3-20191,Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)c(C)n5)c4)n23)cn1,PFQNQLUFEZRTBS-UHFFFAOYSA-N,3,1,0.5,7,99,428.431,3.373,5,0.42,0.66,1.0,0.5919059694332123,0.5126533479542184,0.3654136111301487,0.27489548351723664,0.436217103008704
EOS-3-20192,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)c(C)n5)n4)n23)nc1,QSOBAFUJUVSNAB-UHFFFAOYSA-N,3,1,0.435,46,128,428.431,3.373,5,0.42,0.66,1.0,0.5860461928586115,0.512661914879035,0.21921903913371257,0.17373723528202317,0.3729160955383456
EOS-3-20193,Cc1ncc(-c2nc(C)ncc2-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)cn1,USIRPEHERSINGW-UHFFFAOYSA-N,3,1,0.247,86,652,461.493,3.118,6,0.389,0.67,0.998,0.04644986635597286,0.01767356589678569,0.1407802755123021,0.09393633061476253,0.0747100095949558
EOS-3-20194,Fc1c(-c2nnc3cncc(OCCc4ccncc4)n23)cnc(-c2cccnc2)c1F,MELTUPMUHPTPLM-UHFFFAOYSA-N,3,1,0.542,35,393,431.406,3.543,5,0.406,0.67,1.0,0.8295695976972106,0.8612586525940649,0.6799396888492907,0.665333082036872,0.7590252552943595
EOS-3-20195,Fc1cnc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)c1,PLOGHWRORFQTDO-UHFFFAOYSA-N,3,1,0.494,97,525,435.369,3.64,5,0.389,0.7,1.0,0.9019943800973202,0.8489051470084299,0.8663045713110822,0.8422058118017957,0.8648524775546569
EOS-3-20196,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ncn4)n23)c(F)c1,UEZGBYQPKWSIKS-UHFFFAOYSA-N,3,1,0.415,44,488,435.369,3.64,5,0.389,0.7,0.807,0.6886950860119252,0.6891319991775752,0.8797118086491673,0.8739891028716332,0.7828819991775752
EOS-3-20197,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C#N)n5)n34)cn2)s1,KKQSFVARAMTIQX-UHFFFAOYSA-N,3,1,0.452,4,617,445.443,2.998,5,0.401,0.71,0.999,0.6034713179357138,0.7038157083133438,0.21922760605852923,0.20450106229867726,0.43275392365156606
EOS-3-20198,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)nc(CF)n4)n23)c(F)c1,NVMSQCLSABEVMA-UHFFFAOYSA-N,3,1,0.359,50,155,445.393,2.413,5,0.435,0.59,0.889,0.21751422109519566,0.25256151052018366,0.3173531629086423,0.28669213898978824,0.26853025837845246
EOS-3-20199,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,SZGRGCCBDZNHTB-UHFFFAOYSA-N,3,1,0.417,18,211,450.865,3.396,5,0.391,0.64,0.997,0.577367898019327,0.4589644301281612,0.5986310054142965,0.595058597765746,0.5575054828318826
EOS-3-20200,N#Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)cn1,LFLISTRHNJYQKB-UHFFFAOYSA-N,3,1,0.565,97,525,424.399,3.233,5,0.395,0.71,1.0,0.7980090466726064,0.7456223014186828,0.7498800630525666,0.6801024604208074,0.7434034678911657
EOS-3-20201,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)cn2)n1,OWPXMDARMWFTAG-UHFFFAOYSA-N,3,1,0.321,99,765,455.421,1.373,6,0.382,0.63,1.0,0.18695600027414158,0.28857686244945513,0.04129257761633884,0.05864060037009115,0.14386651017750668
EOS-3-20202,FC(F)c1cnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)cn1,ZMLPDDYUQAIJSK-UHFFFAOYSA-N,3,1,0.464,7,535,437.435,4.221,5,0.393,0.73,1.0,0.4964875608251662,0.5039322184908506,0.6610410527037215,0.582884997601261,0.5610864574052499
EOS-3-20203,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncn(C)c5=O)n4)n23)cn1,KGFSUCKMUPVCLJ-UHFFFAOYSA-N,3,1,0.457,4,205,444.43,2.369,5,0.406,0.65,1.0,0.4715235419093962,0.41918819820437253,0.2584127201699678,0.22457336714412995,0.3434244568569666
EOS-3-20204,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)cn5)ncc4F)n23)cn1,ALWVRULEDPJSAV-UHFFFAOYSA-N,3,1,0.483,24,109,431.406,3.809,5,0.418,0.69,1.0,0.8810396819957508,0.8280532520046604,0.7426581454321157,0.6860050716194914,0.7844390377630046
EOS-3-20205,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncc1-c1nn[nH]n1,SZRXHYDHDUTLMK-UHFFFAOYSA-N,3,1,0.478,27,69,440.349,2.417,5,0.423,0.68,1.0,0.5800750462613941,0.6792200671646905,0.5858063189637448,0.5238845863888698,0.5922465046946748
EOS-3-20206,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ncc(F)cn4)n23)c(F)c1,KLDQLCXWVYMMRL-UHFFFAOYSA-N,3,1,0.31,42,314,468.431,3.384,6,0.387,0.69,1.0,0.25038551161675004,0.31923788636830924,0.35805462271263105,0.42278630662737304,0.3376160818312659
EOS-3-20208,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cc(F)ccn3)n12,XPDJOEAEANYRNU-UHFFFAOYSA-N,3,1,0.527,11,710,443.442,3.413,5,0.377,0.7,0.998,0.7610341991638682,0.630414296484134,0.32095983825645946,0.26316736344321845,0.49389392433692003
EOS-3-20209,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)cc(-c2ccc(F)cc2)n1,SLQXUTAINRGPDI-UHFFFAOYSA-N,3,1,0.59,35,361,443.442,3.413,5,0.377,0.7,1.0,0.9238914399287231,0.8050424919470907,0.5431001987526557,0.4669745048317456,0.6847521588650538
EOS-3-20210,Cc1cc(C)c(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)nn1,PFCQXLCIHIKGGO-UHFFFAOYSA-N,3,1,0.294,94,167,458.489,3.779,6,0.388,0.68,1.0,0.1261908025495168,0.10029298882873004,0.28818278390788843,0.25108799945171684,0.191438643684463
EOS-3-20211,Cc1cncc(-c2ncncc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,UERJVVRBTLKULN-UHFFFAOYSA-N,3,1,0.593,16,214,429.871,4.184,5,0.413,0.72,1.0,0.9335891988211912,0.9286889178260571,0.6255397162634501,0.6396151737372353,0.7818582516619834
EOS-3-20212,CCCc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)ccn1,AFBIGKRSDGATKJ-UHFFFAOYSA-N,3,1,0.495,75,658,438.495,3.612,5,0.362,0.73,1.0,0.5718764992118429,0.37676478651223355,0.15907065999588788,0.12254985950243301,0.3075654513055993
EOS-3-20213,Cc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,DHJLJCOIWPXOHK-UHFFFAOYSA-N,3,1,0.308,38,193,445.49,4.019,6,0.404,0.68,1.0,0.06492015626070866,0.04816325131930642,0.2730364608320197,0.2542920293331506,0.16010297443629634
EOS-3-20214,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cn2)nn1,SVIOLYNKKIWTSC-UHFFFAOYSA-N,3,1,0.441,7,185,432.835,2.369,5,0.381,0.67,1.0,0.48654992803783154,0.606975190185731,0.14658865053800288,0.15237989171407032,0.348123415118909
EOS-3-20215,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccccc5)n34)nc(Cl)n2)cn1,JFWKRWHBLLIGIL-UHFFFAOYSA-N,3,1,0.5,4,700,430.859,3.579,5,0.39,0.69,1.0,0.6520029470221369,0.7085446508121445,0.317361729833459,0.30203550133644025,0.49498620725104514
EOS-3-20217,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnn(C)n6)c5)n34)cc2)n1C,XTHXTSIEKMHCFQ-UHFFFAOYSA-N,3,1,0.291,98,213,449.482,2.753,6,0.403,0.64,1.0,0.1372935371119183,0.06712185593859228,0.12588239325611678,0.10631553697484751,0.10915333082036872
EOS-3-20218,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)nc(C)n2)cn1,ZSSVXPXUBSLZBN-UHFFFAOYSA-N,3,1,0.441,65,113,443.446,2.811,5,0.39,0.65,1.0,0.5976029744362964,0.5126704818038517,0.2226972106092797,0.17635014735110685,0.3773302035501337
EOS-3-20219,Fc1cc(-c2nnc3cncc(OCc4ncn(-c5ccncn5)n4)n23)ccc1Cl,RZQIRRHMKLTRLB-UHFFFAOYSA-N,3,1,0.5,73,975,423.799,2.534,5,0.424,0.68,0.999,0.45045747378521006,0.6645020903296552,0.3654221780549654,0.44484613803029266,0.4813069700500308
EOS-3-20220,Fc1ccccc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,GCHCULUGFXUUAB-UHFFFAOYSA-N,3,1,0.511,72,132,447.861,4.057,5,0.387,0.72,1.0,0.74935748063875,0.8315999588787609,0.6313395243643342,0.7191933383592626,0.732872575560277
EOS-3-20221,CCn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)ccc2F)cn1,FSQWSJKWMKATQB-UHFFFAOYSA-N,3,1,0.382,33,53,459.445,2.282,5,0.391,0.65,0.997,0.3190065793982592,0.23215509560688094,0.15287677335343705,0.09603522719484614,0.20001841888835584
EOS-3-20222,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)nc1F)N1CCOCC1,BMERALGACJSBJX-UHFFFAOYSA-N,3,1,0.44,66,751,473.39,2.879,5,0.333,0.83,0.999,0.20370433829072715,0.28335960523610443,0.25842128709478446,0.3495819340689466,0.27376679117264063
EOS-3-20223,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4Cl)n23)cc1,ALDZZDLIRVKPMT-UHFFFAOYSA-N,3,1,0.529,89,258,475.9,2.574,5,0.397,0.75,1.0,0.6257710232335001,0.5883249948598451,0.2807124254677541,0.2245819340689466,0.42984759440751147
EOS-3-20224,Fc1cccc(Cl)c1Cn1nnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,MLLYXJIUCBNKJW-UHFFFAOYSA-N,3,1,0.309,22,973,473.863,3.071,6,0.404,0.73,1.0,0.21752278802001235,0.3814594613117675,0.24778116647248305,0.4163696799396889,0.31578327393598793
EOS-3-20225,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ccc(-c4ccccn4)cn3)n12,NFZIAXWADFZKRO-UHFFFAOYSA-N,3,1,0.346,32,20,446.449,4.511,6,0.393,0.73,1.0,0.3167106435473922,0.4810071276814475,0.6255482831882667,0.6367966554725516,0.5150156774724145
EOS-3-20226,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(F)c5)s4)n23)cc1,YEBLDWPDONMJFP-UHFFFAOYSA-N,3,1,0.396,96,139,417.429,3.215,5,0.45,0.7,0.999,0.10745493797546432,0.16355116167500514,0.40965321088342127,0.36264649441436503,0.26082645123706394
EOS-3-20227,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5ccccn5)n4)n23)ccc1Cl,BUHUDSLTJWTLKE-UHFFFAOYSA-N,3,1,0.59,4,71,433.834,4.015,5,0.413,0.68,1.0,0.8532228771160304,0.9490439311904598,0.6408231101363855,0.680111027345624,0.7808002364471249
EOS-3-20229,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cn2)n1,IJPXNGJMXSCKKN-UHFFFAOYSA-N,3,1,0.304,98,167,422.412,2.699,6,0.421,0.69,1.0,0.10994791309711466,0.055573641285724076,0.0960180933452128,0.13333561784661777,0.09871881639366731
EOS-3-20230,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(F)c1,CRHCUWCDKPAMSA-UHFFFAOYSA-N,3,1,0.477,73,353,436.838,3.353,5,0.417,0.66,1.0,0.6458433280789527,0.7316839147419643,0.529735796038654,0.5273284901651704,0.6086478822561853
EOS-3-20231,Cc1nc(C)c(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)nc1C,IKVHIAYBDXFCPK-UHFFFAOYSA-N,3,1,0.565,7,567,458.913,4.196,5,0.386,0.76,1.0,0.5091152080049346,0.5497052977863066,0.18798403125214172,0.18214995545199095,0.35723862312384347
EOS-3-20232,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ncn2)nc1,KILOMCNOEUWHGA-UHFFFAOYSA-N,3,1,0.4,46,726,435.81,2.805,5,0.384,0.68,0.997,0.532134534987321,0.5218799259817696,0.3505842642724967,0.38486053046398466,0.447364813926393
EOS-3-20233,CCn1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)cc1=O,QDUPLCXKZIIQPQ-UHFFFAOYSA-N,3,1,0.471,68,900,417.351,2.361,4,0.491,0.65,1.0,0.5348673840038379,0.40053800287848673,0.6610496196285381,0.4195651428963059,0.5040050373517921
EOS-3-20234,Cc1nn(C)cc1-c1cccc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)n1,QIJBGTXAGOLJTN-UHFFFAOYSA-N,3,1,0.465,4,677,458.457,2.712,5,0.415,0.63,1.0,0.41114385580152146,0.3038945240216572,0.3134209444177918,0.20123706394352683,0.3074240970461243
EOS-3-20235,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nncn5C)cc4F)n23)n1,YXZKGWIMIINHTA-UHFFFAOYSA-N,3,1,0.506,37,908,431.435,2.446,5,0.403,0.66,1.0,0.6796741141799739,0.6304228634089507,0.16224042217805495,0.1423480227537523,0.40367135563018297
EOS-3-20236,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nncc(F)n5)cn4)n23)cc1F,BNYJLNLQICYDBR-UHFFFAOYSA-N,3,1,0.448,7,212,462.38,1.389,5,0.39,0.66,0.998,0.617495373860599,0.3329878006990611,0.19129943115619216,0.1763587142759235,0.32953532999794394
EOS-3-20237,c1coc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccncc5)n34)cn2)c1,LMMXFKOXSCCIHL-UHFFFAOYSA-N,3,1,0.284,64,114,418.42,3.965,6,0.423,0.8,0.998,0.13970084298540197,0.04457370982112261,0.3209684051812761,0.35569871838804745,0.21523541909396204
EOS-3-20238,Cc1noc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cncs6)n5C)n34)cn2)n1,OKDGRGJDGINECX-UHFFFAOYSA-N,3,1,0.286,99,754,443.456,2.464,6,0.399,0.67,1.0,0.1345521211705846,0.12291823726954972,0.007992940853951067,0.007084846823384278,0.06813703652936742
EOS-3-20239,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2F)n1,GWPIUIQHWQEINU-UHFFFAOYSA-N,3,1,0.494,16,55,448.849,3.718,5,0.375,0.72,1.0,0.9497806867246933,0.8940699746419025,0.6138287300390651,0.5950671646905626,0.7631866390240559
EOS-3-20240,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)cn1,SRTQQROTLARBMT-UHFFFAOYSA-N,3,1,0.576,91,70,448.889,4.606,5,0.379,0.79,1.0,0.6257795901583167,0.7883798231786718,0.8731923788636831,0.8726183949009664,0.7899925467754094
EOS-3-20241,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nn2C)cc1F,YVQLQZZNYWVALV-UHFFFAOYSA-N,3,1,0.468,95,998,447.449,3.795,5,0.394,0.73,0.997,0.47919950654513055,0.36708416146939893,0.6635682955246385,0.639623740662052,0.537368926050305
EOS-3-20242,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccco5)n4)n23)cn1,OVYTTZHECLDFEE-UHFFFAOYSA-N,3,1,0.473,80,34,451.45,3.216,6,0.376,0.69,1.0,0.3757453224590501,0.24769549722431636,0.14078884243711878,0.1042680419436639,0.2171244260160373
EOS-3-20243,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)nc(C)n2)cn1,CFLHXHZEYSHYMB-UHFFFAOYSA-N,3,1,0.436,46,500,446.421,3.512,5,0.404,0.64,1.0,0.6945634295113426,0.5082927832225345,0.5733243095058598,0.48809197450483177,0.5660681241861422
EOS-3-20244,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccccc1F,NUUSYZADERQBSR-UHFFFAOYSA-N,3,1,0.506,95,998,449.877,4.001,5,0.389,0.73,1.0,0.5272171201425536,0.48517065314234803,0.5952556370365294,0.6741141799739565,0.5704393975738469
EOS-3-20245,COc1ccccc1Cc1cncc2nnc(-c3cc(-c4ncc(C)cn4)ccc3Cl)n12,CDMYCLITEWUQSC-UHFFFAOYSA-N,3,1,0.4,14,358,442.91,4.81,5,0.388,0.8,1.0,0.5139555205263519,0.4993574806387499,0.6523798917140703,0.6134260845726818,0.5697797443629634
EOS-3-20246,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnc5F)c4)n23)cc1F,WORQWPNRADPPGP-UHFFFAOYSA-N,3,1,0.484,97,91,441.401,3.977,5,0.38,0.73,1.0,0.9415821396751423,0.8782382975807004,0.9343687889795079,0.9127116030429717,0.9167252073195806
EOS-3-20247,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)ccc1Cl,PGIWALHXSQKUEC-UHFFFAOYSA-N,3,1,0.472,7,817,430.859,3.579,5,0.416,0.66,1.0,0.6429391405661024,0.8316085258035776,0.5499194709067233,0.5343962031389212,0.6397158351038311
EOS-3-20248,Fc1ccc(COc2cncc3nnc(-c4ccc(Oc5ncncc5F)cc4)n23)cc1F,AUWIBCLCJOIWTF-UHFFFAOYSA-N,3,1,0.691,59,96,450.38,4.37,5,0.38,0.76,1.0,0.9883489822493318,0.9680796381330957,0.929648413405524,0.8962888081694195,0.9455914604893427
EOS-3-20249,CCn1nc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C)cc5)n34)c2)n1C,KVNUDTDQWCZTGZ-UHFFFAOYSA-N,3,1,0.568,43,250,431.475,4.04,5,0.406,0.77,1.0,0.6002844219039134,0.6449009663491193,0.31342951134260844,0.3116475909807416,0.4675656226440956
EOS-3-20250,Fc1ccnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,MTYSJYVNUJVQCJ-UHFFFAOYSA-N,3,1,0.394,18,88,448.849,3.452,5,0.389,0.63,0.999,0.6458518950037695,0.5883335617846618,0.4204903707765061,0.5073846891919677,0.5405151291892262
EOS-3-20251,Cc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)cc(Cl)n1,PLWVLMPNXREXAO-UHFFFAOYSA-N,3,1,0.326,98,973,470.888,2.586,6,0.356,0.72,1.0,0.03625522582413817,0.1368394900966349,0.06463744774175861,0.09803132067712973,0.08394087108491535
EOS-3-20252,Cc1cnnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1,CMNUWSJGPQNULW-UHFFFAOYSA-N,3,1,0.389,53,587,432.835,2.369,5,0.408,0.61,1.0,0.4666832293879789,0.6353745459529847,0.10114111438558016,0.14235658967856898,0.33638886985127825
EOS-3-20253,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1cnccn1,CDGATPYBJZGJCA-UHFFFAOYSA-N,3,1,0.511,4,248,431.481,3.601,5,0.402,0.74,1.0,0.33652594064834485,0.27316496470426976,0.22270577753409637,0.13123672126653416,0.2409083510383113
EOS-3-20254,COc1cc(F)c(COc2cncc3nnc(-c4ccnc(-c5cncn5C)c4)n23)cc1F,SUAKNMABYNAAIT-UHFFFAOYSA-N,3,1,0.457,24,624,449.421,3.453,5,0.392,0.7,1.0,0.5831077376464944,0.45467240079501064,0.797092385717223,0.6625830991707217,0.6243639058323625
EOS-3-20255,Cc1nc(-c2ncnn2C)ccc1-c1nnc2cncc(-c3ccc(-c4nncn4C)cn3)n12,ZUEDUTCMZNECGN-UHFFFAOYSA-N,3,1,0.27,99,259,450.47,2.148,6,0.396,0.6,0.983,0.11262079363991502,0.05944589130285793,0.029530189843053938,0.023045027756836405,0.05616047563566582
EOS-3-20256,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)cc1C,RWKWQLDBCIKRCR-UHFFFAOYSA-N,3,1,0.379,44,971,447.861,4.845,5,0.389,0.82,0.963,0.6201425536289493,0.5929597011856624,0.7324206702761976,0.7139161126721952,0.6648597594407512
EOS-3-20257,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cn1,WIYRTKJHMQMBGO-UHFFFAOYSA-N,3,1,0.286,70,957,449.453,3.85,6,0.377,0.74,1.0,0.2093071071208279,0.23720958124871497,0.5019275580837502,0.4881005414296484,0.3591361969707354
EOS-3-20258,c1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)cnn5)n34)cn2)cn1,ZPBWYNBFOOFDJS-UHFFFAOYSA-N,3,1,0.273,86,790,431.423,2.557,6,0.41,0.63,0.944,0.10254609005551367,0.10365122335686382,0.2584298540196011,0.2690871084915359,0.18342856898087861
EOS-3-20259,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ncc(Cl)cc5Cl)n34)ncn2)cn1,JRZZYLWFORAAHD-UHFFFAOYSA-N,3,1,0.32,51,113,452.265,3.841,5,0.401,0.69,0.985,0.5635066136659584,0.5447364813926393,0.3955092180111027,0.43227845932424097,0.48400769309848535
EOS-3-20260,Cc1cccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)c1,YZYJYUZFPFZSPT-UHFFFAOYSA-N,3,1,0.303,30,737,431.459,4.879,6,0.393,0.85,1.0,0.15114625454047015,0.13684805702145159,0.3880988280446851,0.45121136316907684,0.2818261256939209
EOS-3-20261,Clc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cn2)ccn1,UOCXEBOSGPBZDL-UHFFFAOYSA-N,3,1,0.277,10,705,452.869,3.544,6,0.373,0.7,1.0,0.008592625591117812,0.11944863271879926,0.409661777808238,0.4881091083544651,0.25645303611815506
EOS-3-20262,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)c1,ZDQARQHUGIBEFN-UHFFFAOYSA-N,3,1,0.495,43,521,432.434,4.532,5,0.394,0.77,1.0,0.6313823589884175,0.540076074292372,0.8648567610170653,0.8322596120896443,0.7171437015968748
EOS-3-20264,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnnc(-c5ccc(F)cn5)n4)n23)cc1,GBTMLXMAISGPCY-UHFFFAOYSA-N,3,1,0.309,39,972,466.415,3.441,6,0.385,0.69,0.773,0.2794273867452539,0.33299636762387774,0.3466863134809129,0.4820437255842643,0.3602884483585772
EOS-3-20265,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5noc(C)n5)s4)n23)cn1,KAQBKVPUOLHWIA-UHFFFAOYSA-N,3,1,0.329,82,974,419.43,2.028,5,0.464,0.65,1.0,0.14521794256733603,0.11316907682818175,0.00887533411006785,0.0026214789939003496,0.0674709581248715
EOS-3-20266,Cn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(Cl)c(-c5nnco5)c4)n23)nc1,RKJHEWCETWYMMK-UHFFFAOYSA-N,3,1,0.313,86,261,456.857,3.352,6,0.392,0.65,1.0,0.2608028921938181,0.3814680282365842,0.30967719827290796,0.3591426221643479,0.3277726852169145
EOS-3-20267,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnc1-c1nnco1,IJAVUYQQLADRAJ-UHFFFAOYSA-N,3,1,0.636,34,389,423.795,3.608,5,0.422,0.71,1.0,0.92518504557604,0.9078712905215544,0.5986395723391131,0.6625916660955383,0.7735718936330614
EOS-3-20268,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)cc2F)cn1,SUAAPBRKKZDVBZ-UHFFFAOYSA-N,3,1,0.535,4,71,445.433,4.117,5,0.402,0.74,1.0,0.6887036529367419,0.6742683846206565,0.7040470152833939,0.6192687272976493,0.6715719450346104
EOS-3-20269,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)nc1,LRRISMGWTFTRAL-UHFFFAOYSA-N,3,1,0.289,86,902,448.425,3.301,6,0.4,0.63,1.0,0.2687872661229525,0.3238725926941265,0.26567747241450207,0.3085206634226578,0.29171449866355975
EOS-3-20270,Cc1ccc(-c2nnc3cncc(-c4cc(F)ncc4OCc4cccc(C)n4)n23)cn1,FYVYKTDEOKUIDM-UHFFFAOYSA-N,3,1,0.356,82,204,427.443,3.978,5,0.392,0.76,1.0,0.5091237749297512,0.535612706462888,0.5921715441025289,0.457576588307861,0.5236211534507573
EOS-3-20271,Cn1cc(-n2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nn2)cn1,NJARIOIYLUAWJN-UHFFFAOYSA-N,3,1,0.571,36,391,425.815,2.477,5,0.426,0.7,1.0,0.31901514632307587,0.5883421287094784,0.4353796861078747,0.48205229250908094,0.45619731341237746
EOS-3-20272,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)nc1,UEIDUAQUPXUMKH-UHFFFAOYSA-N,3,1,0.57,2,491,417.379,3.501,5,0.432,0.74,1.0,0.8192978548420259,0.6891405661023919,0.7140103488451786,0.7192019052840792,0.7354126687684189
EOS-3-20273,COc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)c1,IERKYQXBWGCKOO-UHFFFAOYSA-N,3,1,0.318,39,144,465.452,3.644,6,0.38,0.74,0.707,0.0667449112466589,0.1931241861421424,0.3319854704955109,0.3658505242957988,0.23942627304502775
EOS-3-20274,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)nn2)c1,SJGSFFCCHQFUPW-UHFFFAOYSA-N,3,1,0.333,76,37,440.467,4.302,6,0.406,0.72,1.0,0.0031012267836337468,0.040949900623672125,0.40273970255637037,0.5106572544719348,0.23936202110890276
EOS-3-20275,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5cnccn5)nc4)n23)c(-c2ncccn2)n1,APFBRQMTRYHZPM-UHFFFAOYSA-N,3,1,0.287,80,790,458.489,3.395,6,0.383,0.66,0.999,0.19823007333287643,0.09717462819546295,0.14659721746281953,0.1378503872250017,0.14496307655404017
EOS-3-20277,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(CCOC)c5)cnn4)n23)cc1F,HGCAPVIMWZYCPD-UHFFFAOYSA-N,3,1,0.298,74,413,473.472,2.257,5,0.382,0.69,1.0,0.1182663970940991,0.11945719964361592,0.25843842094441777,0.18480570214515799,0.1702419299568227
EOS-3-20278,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccnn6C)nn5)n34)nc2)cn1,AKDKYEJONSOKTI-UHFFFAOYSA-N,3,1,0.323,99,549,451.454,2.57,6,0.388,0.68,1.0,0.2608114591186348,0.14068603933931875,0.15907922692070453,0.10427660886848057,0.16621333356178467
EOS-3-20279,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1F,RBKKITHYRUIJFG-UHFFFAOYSA-N,3,1,0.671,88,876,432.434,4.092,5,0.404,0.72,1.0,0.9115122335686382,0.8668614214241656,0.7994568569666233,0.7875659653210884,0.8413491193201288
EOS-3-20280,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)c2)s1,LPYUQUSSKVYSRX-UHFFFAOYSA-N,3,1,0.494,72,482,434.46,3.169,5,0.401,0.64,1.0,0.7036957713659104,0.6891491330272086,0.12035672674936605,0.13124528819135084,0.411111729833459
EOS-3-20281,Fc1cc(-c2cnc(F)cn2)cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c1,MYNWGFPBHMDVFD-UHFFFAOYSA-N,3,1,0.46,13,145,438.344,4.597,5,0.382,0.78,1.0,0.8009646357343568,0.855039065177164,0.9619285861147283,0.9619885545884449,0.8949802104036735
EOS-3-20282,N#Cc1ccc(-c2ncc(-c3nnc4cncc(-c5nncn5-c5ccccc5)n34)nn2)cc1F,LOIAVTWYWKGORR-UHFFFAOYSA-N,3,1,0.322,10,748,461.424,2.902,6,0.388,0.66,0.693,0.01716811733260229,0.16355972859982182,0.35059283119731344,0.4637276403262285,0.2487620793639915
EOS-3-20283,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)ccc2F)cn1,JMTVVYLVTJJVQM-UHFFFAOYSA-N,3,1,0.542,16,394,437.385,3.583,5,0.391,0.68,1.0,0.7069683366458775,0.7038242752381605,0.8892296621204853,0.8530858063189637,0.7882770200808717
EOS-3-20284,Cc1nnc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)o1,ATGUCZQGERQRHI-UHFFFAOYSA-N,3,1,0.299,70,887,436.439,3.007,6,0.41,0.64,1.0,0.08536940579809471,0.07443800973202659,0.08174559660064423,0.07389829346857651,0.07886282639983551
EOS-3-20285,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(C)n5)n34)ccn2)nn1,VAOXWHWXQFPXQY-UHFFFAOYSA-N,3,1,0.506,58,241,424.468,3.277,5,0.409,0.7,0.998,0.5139640874511685,0.3432081420053458,0.1686484819409225,0.11800938934959906,0.28595752518675893
EOS-3-20286,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cn1,QIHKDELHXXNSCZ-UHFFFAOYSA-N,3,1,0.295,39,543,450.441,3.245,6,0.402,0.64,0.984,0.17278630662737304,0.19769892399424302,0.2621136316907683,0.3398841751764787,0.24312075937221578
EOS-3-20287,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5nncs5)n4)n23)ccc1Cl,OVENBEVMUXGENK-UHFFFAOYSA-N,3,1,0.541,4,268,439.863,4.076,5,0.407,0.75,1.0,0.7401052018367487,0.9057295593173874,0.5699061065040093,0.6368052223973683,0.7131365225138784
EOS-3-20288,Cc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)cn1,XIYWXSIXLJCTDF-UHFFFAOYSA-N,3,1,0.372,51,48,431.847,2.974,5,0.413,0.61,1.0,0.5553166335412241,0.6840432458364746,0.2016654101843602,0.21338496333356177,0.41360256322390515
EOS-3-20289,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(OC(F)F)nn5)n34)cc2)c1,URSYRRLDQLELJQ-UHFFFAOYSA-N,3,1,0.4,83,574,434.381,4.656,5,0.401,0.79,1.0,0.6372078678637516,0.8940785415667192,0.940425604824892,0.9434325954355425,0.8537861524227264
EOS-3-20290,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cc(F)cnc5F)c4)n23)cc1,UQZHLYPYHONFAC-UHFFFAOYSA-N,3,1,0.506,16,659,431.406,3.809,5,0.391,0.72,1.0,0.9379326297032418,0.767228085806319,0.7662428894524022,0.72444486327188,0.7989621170584607
EOS-3-20291,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)cc1F,HNGAVIVZKWTWII-UHFFFAOYSA-N,3,1,0.471,97,969,431.406,3.809,5,0.391,0.72,1.0,0.8686861764101158,0.8489137139332465,0.7636299773833185,0.7165033239668289,0.7994332979233775
EOS-3-20292,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccnn5C)nn4)n23)cn1,CTAIIXHYQMRJSI-UHFFFAOYSA-N,3,1,0.253,86,953,448.454,2.204,6,0.394,0.63,0.964,0.05266945377287369,0.01768213282160236,0.04275752175998904,0.037471729148104996,0.037645209375642516
EOS-3-20293,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cnnn5C)c4)n23)ccc1Cl,ORESSLYMJQCBMD-UHFFFAOYSA-N,3,1,0.523,16,256,432.875,3.523,5,0.419,0.65,1.0,0.4690048660132959,0.5929682681104791,0.5597885682955246,0.5443509697758893,0.5415281680487972
EOS-3-20294,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)cc1,OYTDVLQURNDHRZ-UHFFFAOYSA-N,3,1,0.316,8,927,422.416,1.624,6,0.416,0.66,1.0,0.02506682201357001,0.01931841546158591,0.029538756767870607,0.03539853334247139,0.027330631896374483
EOS-3-20295,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)nn1,UJHWMIOXKPJQMU-UHFFFAOYSA-N,3,1,0.553,15,438,428.431,3.107,5,0.38,0.69,1.0,0.8439791652388459,0.7672366527311356,0.4064063463779042,0.36585909122061544,0.5958703138921253
EOS-3-20296,COCc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)c2)cn1,KCISJXCWIDBMCN-UHFFFAOYSA-N,3,1,0.523,7,535,458.457,3.211,5,0.363,0.71,1.0,0.48908573778356523,0.4851792200671647,0.38810739496950175,0.2899133027208553,0.41307141388527174
EOS-3-20297,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)n5C)n4)n23)cn1,SNHDKXLYMITYGO-UHFFFAOYSA-N,3,1,0.44,7,535,433.863,2.918,5,0.416,0.67,1.0,0.5091323418545679,0.5975772736618463,0.14993831814132,0.15495853608388732,0.3529016174354054
EOS-3-20298,c1cc(-c2nn[nH]n2)nc(-c2cncc3nnc(-c4ccc(-c5ccncn5)cn4)n23)c1,DSNXRZRHSFUKNH-UHFFFAOYSA-N,3,1,0.28,76,387,420.4,1.885,6,0.448,0.67,0.84,0.08537797272291138,0.09102357617709547,0.08673154684394489,0.10214344458913029,0.09131913508327051
EOS-3-20299,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cnco5)ncn4)n23)cc1Cl,LIUOHZIGXODFCW-UHFFFAOYSA-N,3,1,0.59,44,308,437.822,3.65,5,0.396,0.71,0.999,0.8036289493523405,0.597585840586663,0.6661897745185388,0.6801195942704407,0.6868810396819958
EOS-3-20300,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)cc4)n23)cn1,AQUSCDCHNBRCOI-UHFFFAOYSA-N,3,1,0.396,83,472,410.412,3.758,5,0.486,0.88,1.0,0.22867692413131382,0.23721814817353162,0.6716383387019396,0.705357754780344,0.46072279144678224
EOS-3-20301,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)[nH]n2)nc1,UAVGIDSIJHOSMC-UHFFFAOYSA-N,3,1,0.588,84,963,432.875,3.555,5,0.437,0.68,1.0,0.5115910492769515,0.4546809677198273,0.31343807826742515,0.3722328832842163,0.4129857446371051
EOS-3-20302,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)n1,HDIKFMKEVRVQCY-UHFFFAOYSA-N,3,1,0.291,10,195,421.424,3.397,6,0.426,0.74,1.0,0.04954252621478994,0.07444657665684326,0.1718610787471729,0.187384346514975,0.12080863203344527
EOS-3-20303,Clc1ccc(CCOc2cncc3nnc(-c4cncnc4-c4ncccn4)n23)s1,AHRWSBMHZBGHDD-UHFFFAOYSA-N,3,1,0.473,65,510,436.888,3.375,5,0.399,0.69,1.0,0.7158950723048455,0.6742769515454733,0.13458638886985128,0.1982900418065931,0.4307621136316908
EOS-3-20304,Fc1cc(-c2cncnn2)ccc1-c1nnc2cncc(-c3ccc(-c4ccncc4)cn3)n12,BJGRRINCQRHMTO-UHFFFAOYSA-N,3,1,0.321,42,572,447.437,3.906,6,0.4,0.66,1.0,0.31141628401069155,0.3953721472140361,0.6688112535124392,0.6887036529367419,0.5160758344184772
EOS-3-20305,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cc(F)nc(F)c5)cn4)n23)cn1,WDSPTGGYILGOQF-UHFFFAOYSA-N,3,1,0.438,55,390,436.357,3.035,5,0.387,0.65,1.0,0.7126996093482284,0.7626961825783017,0.7193989445548626,0.6887122198615585,0.7208767390857378
EOS-3-20306,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nnccc4Cl)n23)c(F)c1,CATUURUJLWCIQZ-UHFFFAOYSA-N,3,1,0.436,36,610,451.853,3.231,5,0.387,0.7,1.0,0.45512644781029404,0.5681156192173258,0.24082482352134876,0.3237783565211432,0.39696131176752797
EOS-3-20307,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)ncn2)n1C,FJZNOYHASWFNFQ-UHFFFAOYSA-N,3,1,0.523,36,391,435.398,2.542,5,0.414,0.62,1.0,0.5578096086628743,0.572750325543143,0.2442772942224659,0.2749040504420533,0.4124353197176341
EOS-3-20308,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)nc4)n23)cn1,LZNFASITIJQOPS-UHFFFAOYSA-N,3,1,0.333,82,514,411.429,2.008,5,0.481,0.8,1.0,0.07467788362689329,0.06350661366595847,0.1528853402782537,0.08464121718867795,0.09392776368994586
EOS-3-20309,Cn1nc(-c2ccnc(Cl)c2)nc1-c1cncc2nnc(-c3ccc(C(F)F)cn3)n12,JRWQXSSCVKNIFY-UHFFFAOYSA-N,3,1,0.296,50,542,439.817,3.635,5,0.394,0.69,0.186,0.10255465698033034,0.2885854293742718,0.5055085326571174,0.5828935645260778,0.36988554588444933
EOS-3-20310,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nn2C)cn1,VDLRSGTZYHHRPT-UHFFFAOYSA-N,3,1,0.479,95,235,446.902,3.565,5,0.393,0.7,1.0,0.3735093550818998,0.3860513330135015,0.2916952230827222,0.30204406826125696,0.33832499485984513
EOS-3-20311,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccnnc4-c4ccccc4)n23)c1,IQMAFYWUPDEJCO-UHFFFAOYSA-N,3,1,0.333,25,791,432.451,3.106,6,0.418,0.63,1.0,0.09986464258789665,0.055582208210540746,0.1528939072030704,0.2365327941881982,0.1362183880474265
EOS-3-20312,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncccn6)nc5)n34)cc2)cc1,JIIWALMBZRFGHT-UHFFFAOYSA-N,3,1,0.538,12,285,458.485,4.284,6,0.364,0.75,1.0,0.8193064217668425,0.5780789527791104,0.3916883695428689,0.40048660132958674,0.5473900863546022
EOS-3-20314,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)n1,ABIUIDJGOXWLFW-UHFFFAOYSA-N,3,1,0.489,24,56,431.406,3.543,5,0.38,0.71,1.0,0.8439877321636625,0.8887242135563018,0.5397762319237887,0.5474179288602563,0.7049765266260024
EOS-3-20315,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)c(F)n1,JOGFQZXJORXWQS-UHFFFAOYSA-N,3,1,0.56,58,28,431.406,3.543,5,0.38,0.71,1.0,0.905121307655404,0.8698855458844493,0.569914673428826,0.5733414433554931,0.7295657425810431
EOS-3-20316,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ccccn5)nn4)n23)cc1,SOMOMWDGBCQNNM-UHFFFAOYSA-N,3,1,0.286,10,356,437.402,2.425,6,0.409,0.61,0.999,0.0028099513398670414,0.08476115413611131,0.13459495579466796,0.24515112055376603,0.11682929545610309
EOS-3-20317,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)nn2)cc1,CLRCREBICVMFBG-UHFFFAOYSA-N,3,1,0.278,10,37,418.424,2.891,6,0.429,0.74,0.992,0.0003169762182167089,0.005577068055650744,0.25150777876773356,0.29895140840243983,0.13908830786101023
EOS-3-20318,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)nn2)cc1,YHVJPOXRRMRPNK-UHFFFAOYSA-N,3,1,0.28,30,158,418.424,2.891,6,0.429,0.74,0.837,0.009286546501267905,0.028527859639503803,0.07083133438420944,0.14481529710095264,0.06336525940648345
EOS-3-20319,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cccc(F)c5Cl)n34)ncn2)nc1,BHYVYFYUIUJSRT-UHFFFAOYSA-N,3,1,0.373,44,971,433.834,4.537,5,0.411,0.74,0.934,0.6548728668357207,0.6256168185868001,0.7324292372010143,0.7483722842848332,0.690322801727092
EOS-3-20320,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)nn1,MAAMBHNJJSCHEV-UHFFFAOYSA-N,3,1,0.477,13,110,433.834,4.537,5,0.411,0.74,1.0,0.6257881570831334,0.7132564594613118,0.7272376807621136,0.7457079706668495,0.702997566993352
EOS-3-20321,Fc1c(Cl)ccnc1COc1cncc2nnc(-c3cncc(-c4ccnnc4)c3)n12,QVHRHIJMIKQFCX-UHFFFAOYSA-N,3,1,0.466,2,419,434.822,3.41,5,0.414,0.65,1.0,0.6034798848605305,0.6499725858405867,0.7013484339661435,0.7217805496538963,0.6691453635802893
EOS-3-20322,COCc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ncc1F,FZIVFOYNHBLBFS-UHFFFAOYSA-N,3,1,0.375,96,140,447.861,4.249,5,0.397,0.71,1.0,0.5321431019121377,0.7456308683434995,0.522950791583853,0.607129394832431,0.6019635391679803
EOS-3-20323,COc1nc(-c2cncc(F)c2)ccc1-c1nnc2cncc(OCc3cccc(C)n3)n12,JSVDNFQEAZEDCT-UHFFFAOYSA-N,3,1,0.484,4,710,443.442,3.678,5,0.392,0.72,1.0,0.5890788842437119,0.5497138647111233,0.4278750599684737,0.3085292303474745,0.4687992598176958
EOS-3-20324,FC(F)(F)c1ccnc(CCc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)n1,GIKLWTZSQZGFKU-UHFFFAOYSA-N,3,1,0.382,75,420,449.4,3.237,5,0.403,0.67,1.0,0.4643701596874786,0.45009766294291004,0.5534661777808237,0.4227948735521897,0.47268221849085057
EOS-3-20325,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cn4)n23)cc1,UQFOUTUJWKUUOF-UHFFFAOYSA-N,3,1,0.342,38,725,437.492,3.772,6,0.414,0.66,1.0,0.05789527791104105,0.07087416900829278,0.2730450277568364,0.26909567541635254,0.1677275375231307
EOS-3-20326,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccccc1,XTRBLUDWZWCYSD-UHFFFAOYSA-N,3,1,0.494,1,955,444.882,4.489,5,0.381,0.77,1.0,0.8598279761496813,0.7316924816667809,0.619945514358166,0.5978599821807964,0.7023314885888562
EOS-3-20327,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)nn1,LHWMIQJJOJRDFH-UHFFFAOYSA-N,3,1,0.489,36,208,449.837,3.113,5,0.398,0.64,1.0,0.7868035090124049,0.820428688917826,0.3881159618943184,0.4258789664861901,0.6053067815776849
EOS-3-20328,Cn1c(C#N)ccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,VJODHYUDWWHCLN-UHFFFAOYSA-N,3,1,0.317,9,98,455.485,4.187,6,0.392,0.74,1.0,0.22283428140634637,0.1559008978137208,0.7545147693783839,0.7192104722088959,0.46311510520183674
EOS-3-20329,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)n2)cc1,NPEKMOKVKRBTJA-UHFFFAOYSA-N,3,1,0.354,3,289,469.871,4.289,6,0.379,0.78,0.98,0.07283599479130971,0.2680419436639024,0.5889675142210952,0.6945462956617092,0.40609793708450415
EOS-3-20330,Cn1cnnc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,BKGCGQCDJZQMRM-UHFFFAOYSA-N,3,1,0.562,36,212,419.836,2.609,5,0.427,0.71,1.0,0.6548814337605373,0.7841391953944212,0.17833767390857377,0.25430059625796725,0.4679147248303749
EOS-3-20331,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)c2)nn1,UEEKJBPUJRWNMN-UHFFFAOYSA-N,3,1,0.424,96,121,449.396,4.359,5,0.394,0.74,1.0,0.5800836131862107,0.8280618189294771,0.8928963059420191,0.8767904872866835,0.7944580563360977
EOS-3-20332,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,GRDICHOMWUHRSS-UHFFFAOYSA-N,3,1,0.483,97,666,432.846,4.62,5,0.403,0.77,1.0,0.9130114454115551,0.9008549790967034,0.8604619285861147,0.8767990542115003,0.8877818518264684
EOS-3-20333,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nc1,SCDVYGCSSDTVKO-UHFFFAOYSA-N,3,1,0.316,70,191,437.492,3.772,6,0.414,0.65,1.0,0.12342368583373313,0.11598759509286546,0.22626961825783018,0.21624631622232884,0.1704818038516894
EOS-3-20334,Cc1nccc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)nn2C)n1,SVBSMPLWGMFDAK-UHFFFAOYSA-N,3,1,0.41,31,477,431.435,2.446,5,0.403,0.67,0.994,0.384954766636968,0.2988314714550065,0.09860530463984649,0.09008121444726201,0.21811818929477075
EOS-3-20335,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)cn1,ZCZMUYRVRBKJEZ-UHFFFAOYSA-N,3,1,0.488,16,772,419.395,3.444,5,0.434,0.71,1.0,0.5800921801110274,0.437178740319375,0.8335018161880612,0.7808237954903707,0.6578991330272086
EOS-3-20336,c1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)nc5)n34)cn2)ncn1,JIWBOHRUBJPEQR-UHFFFAOYSA-N,3,1,0.275,86,443,431.423,2.557,6,0.41,0.62,1.0,0.16200054828318827,0.11317764375299842,0.23370570899869783,0.23654136111301488,0.18635631553697485
EOS-3-20337,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cn4)c3)n12,PTUOPHSZMZCVHQ-UHFFFAOYSA-N,3,1,0.54,75,583,446.902,3.565,5,0.393,0.72,1.0,0.4617829483928449,0.5126790487286683,0.2584469878692345,0.27191419368103625,0.376205794667946
EOS-3-20338,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1Cl,XCJOWTXZKTXQSO-UHFFFAOYSA-N,3,1,0.523,20,658,433.863,2.652,5,0.402,0.62,1.0,0.5578181755876911,0.6212733877047495,0.18481426906997464,0.2218405181276129,0.396436587622507
EOS-3-20339,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)c1,SXHSTTFCSQGWMJ-UHFFFAOYSA-N,3,1,0.314,39,144,470.859,3.684,6,0.383,0.75,1.0,0.03226303885957097,0.21680316633541225,0.26922417928860254,0.49414879035021586,0.25310979370845044
EOS-3-20340,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1,WYALGDQFBXIBMK-UHFFFAOYSA-N,3,1,0.26,98,727,449.482,3.225,6,0.425,0.65,1.0,0.11262936056473169,0.08137721883352751,0.051195942704406826,0.05162428894524022,0.07420670276197656
EOS-3-20341,Clc1ccc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ncn2)cc1,XAFDCZRALYFDCA-UHFFFAOYSA-N,3,1,0.386,44,130,436.262,4.742,5,0.402,0.79,0.999,0.5919145363580289,0.6937667055033925,0.690734014118292,0.7900589404427387,0.691618549105613
EOS-3-20342,Cc1ncccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccn(C)n5)cn4)n23)n1,SVZYMDRLRCGUBS-UHFFFAOYSA-N,3,1,0.262,99,286,436.443,1.933,6,0.407,0.61,0.999,0.0015334795421835378,0.016114385580152147,0.023987389486669865,0.01978102940168597,0.01535407100267288
EOS-3-20343,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5F)ccn4)n23)c1,HBPWZTLSYSKPIU-UHFFFAOYSA-N,3,1,0.557,11,159,430.418,4.148,5,0.377,0.77,1.0,0.7895106572544719,0.7132650263861284,0.8187752724282091,0.8182869577136591,0.7849594784456171
EOS-3-20344,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)cc1,NJXLOUIXNHRSDF-UHFFFAOYSA-N,3,1,0.289,10,748,454.404,3.169,6,0.399,0.63,0.992,0.009295113426084573,0.13311287780138442,0.41299431156192173,0.5829021314508944,0.2845761085600713
EOS-3-20345,Fc1ccc(F)c(-c2nnc3cncc(-c4cccnc4-c4cnc(Cl)cn4)n23)c1,WRDZFMJOBMILIH-UHFFFAOYSA-N,3,1,0.395,45,575,421.798,4.242,5,0.433,0.74,1.0,0.3114248509355082,0.5634466451922417,0.8154598725241587,0.8838153656363512,0.643536683572065
EOS-3-20346,Fc1cc(-c2ccc(-c3nnc4cncc(COc5ccncc5F)n34)c(F)c2)ccn1,YRQAWTZBGAHHIK-UHFFFAOYSA-N,3,1,0.384,14,189,434.381,4.245,5,0.385,0.75,1.0,0.7191076691110959,0.8008275649372901,0.9368874648756083,0.9286803509012405,0.8463757624563086
EOS-3-20347,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)cn2)n(C)n1,STOVTHXIYSSOAU-UHFFFAOYSA-N,3,1,0.294,94,165,446.478,3.414,6,0.405,0.66,0.999,0.07664827633472689,0.07445514358165993,0.28072099239257076,0.23654992803783154,0.16709358508669728
EOS-3-20348,COc1ccc(-c2nnc3cncc(OCc4cc(-c5nccnn5)ncc4Cl)n23)cn1,FKWXHXIPPCBIEU-UHFFFAOYSA-N,3,1,0.444,55,283,447.846,2.674,5,0.383,0.65,1.0,0.7098039887601947,0.717839764238229,0.2881913508327051,0.24820951271331643,0.4910111541361113
EOS-3-20349,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cnnc(-c5cncs5)n4)n23)nc1,HOXVEGYCNVVMEV-UHFFFAOYSA-N,3,1,0.276,86,892,437.452,2.619,6,0.405,0.65,0.956,0.05436570488657391,0.09413336988554588,0.0459872524158728,0.07390686039339318,0.06709829689534644
EOS-3-20350,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc1-c1ccccn1,WSRNCCLMIALZOD-UHFFFAOYSA-N,3,1,0.483,44,692,447.861,4.057,5,0.387,0.68,0.987,0.8193149886916592,0.8668699883489822,0.48140977314783084,0.5637122198615585,0.6828267425125077
EOS-3-20351,Cc1cnccc1-n1cnc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)c1,XZTFGDYDMRJBKW-UHFFFAOYSA-N,3,1,0.28,10,356,450.441,3.339,6,0.402,0.66,0.815,0.006879240627784251,0.09414193681036255,0.3319940374203276,0.3973254060722363,0.20758515523267768
EOS-3-20352,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c2)n1,QZRUTNPQWPXBJC-UHFFFAOYSA-N,3,1,0.472,36,258,435.398,2.893,5,0.401,0.66,1.0,0.47153210883421287,0.36709272839421564,0.5126533479542184,0.45439825920087723,0.451419111095881
EOS-3-20353,Fc1ccc(-c2nncnc2COc2cncc3nnc(-c4cc(F)cc(Cl)c4)n23)nc1,YAPUWRLAEIMGOH-UHFFFAOYSA-N,3,1,0.571,73,712,452.812,3.549,5,0.399,0.66,1.0,0.6914879035021588,0.8204372558426427,0.601869302994997,0.7217891165787129,0.7088958947296278
EOS-3-20355,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1,FFXRELWUDWBDSG-UHFFFAOYSA-N,3,1,0.294,39,144,471.406,3.913,6,0.384,0.75,0.602,0.07468645055170996,0.21188575149064492,0.637533411006785,0.7509252278802001,0.418757710232335
EOS-3-20356,COc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,GOXQEYABRXAYNG-UHFFFAOYSA-N,3,1,0.392,41,867,437.419,4.172,6,0.391,0.74,1.0,0.36412857240764857,0.12292680419436638,0.5566787745870743,0.44166780892330887,0.3713504900280995
EOS-3-20357,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cn1,WLRCGPTVSPDMJC-UHFFFAOYSA-N,3,1,0.383,46,564,452.812,3.549,5,0.399,0.65,1.0,0.7127081762730451,0.669488040572956,0.7636385443081352,0.7735676101706531,0.7298505928311974
EOS-3-20358,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccn2)nn1,VAPLMYANIDTIRA-UHFFFAOYSA-N,3,1,0.56,16,391,448.849,3.718,5,0.4,0.66,1.0,0.8902491261736687,0.9377355904324584,0.5534747447056405,0.5888647111232952,0.7425810431087658
EOS-3-20360,CCc1nc(C(=O)NCCC#N)ccc1-c1nnc2cncc(-c3cnn(CC)c3)n12,LCDIRJXWZITECK-UHFFFAOYSA-N,3,1,0.288,63,792,415.461,2.276,4,0.459,0.74,1.0,0.047880542800356383,0.023747515591803166,0.0167397710917689,0.008138578575834419,0.024126602014940716
EOS-3-20362,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)n5)n34)cc2)nn1,LAUCGEQBPXINDK-UHFFFAOYSA-N,3,1,0.291,98,746,447.466,2.809,6,0.401,0.63,1.0,0.05790384483585772,0.06351518059077514,0.0795438969227606,0.09206017407991228,0.07325577410732644
EOS-3-20363,CNC(=O)c1ccc(-c2nnc3cncc(-c4sc(C)nc4-c4ccc(F)nc4)n23)cc1F,FKNUFHZKSKWTAH-UHFFFAOYSA-N,3,1,0.333,96,648,463.473,3.923,5,0.406,0.7,1.0,0.1538791035569872,0.29405969433212253,0.4498235213487766,0.4132170516071551,0.32774484271126036
EOS-3-20364,CC(C)(C#N)c1ncc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)cn1,MUDMKAMHXZTFOL-UHFFFAOYSA-N,3,1,0.416,33,806,415.417,1.455,4,0.492,0.7,0.753,0.43168734151189087,0.15590946473853745,0.09373929134397917,0.02134020971831951,0.17566907682818175
EOS-3-20365,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5ccnnc5)c4)n23)cc1Cl,KBNGXJUMSIQBFN-UHFFFAOYSA-N,3,1,0.615,13,573,419.807,4.228,5,0.43,0.75,1.0,0.7922863408950723,0.792680419436639,0.8544393804399972,0.8695685696662326,0.8272436776094854
EOS-3-20366,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cc1,QPZIVOJQBFYPHA-UHFFFAOYSA-N,3,1,0.313,3,498,455.388,3.639,6,0.392,0.67,1.0,0.2985744637105065,0.3718045370433829,0.5431087656774725,0.6455092180111027,0.4647492461106162
EOS-3-20367,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ncon5)cc4)n23)c(F)c1,ODRLQEDYWWBSRR-UHFFFAOYSA-N,3,1,0.329,3,498,455.388,3.639,6,0.392,0.67,1.0,0.31143341786032486,0.35778904804331435,0.5164142279487355,0.6192772942224659,0.45122849701871015
EOS-3-20368,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(CO)nn5)n34)cn2)s1,QOVWTKORITWBGR-UHFFFAOYSA-N,3,1,0.435,53,617,433.457,1.875,5,0.422,0.68,0.903,0.3981478308546364,0.4097731478308546,0.03437906928928792,0.023053594681653074,0.216338410664108
EOS-3-20369,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnnn5C)c4)n23)n1,KFNSSLBVCUEDEW-UHFFFAOYSA-N,3,1,0.484,37,125,431.435,2.446,5,0.403,0.67,1.0,0.6145654855732986,0.5727588924679597,0.21236549928037832,0.19021999862929204,0.3974774689877322
EOS-3-20370,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(C(F)F)n4)n23)nc1,LOQKZMWOGFDGJF-UHFFFAOYSA-N,3,1,0.307,63,108,407.384,3.078,5,0.546,0.93,0.933,0.13970940991021863,0.17153553560413953,0.28819991775752174,0.3334332807895278,0.2332195360153519
EOS-3-20371,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2)cc1=O,ZKEILJAHKRYMJX-UHFFFAOYSA-N,3,1,0.418,18,773,460.885,2.617,5,0.38,0.71,0.988,0.4742906586251799,0.40509560688095403,0.3134466451922418,0.32378692344595983,0.3791549585360839
EOS-3-20372,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)cn2)n1,MWTIDLRILOLDHI-UHFFFAOYSA-N,3,1,0.302,86,114,434.427,1.896,6,0.404,0.64,0.912,0.04066719210472209,0.03130354328010417,0.02201699677883627,0.02744842711260366,0.030359039819066548
EOS-3-20373,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nnn2)n1,ALYYFSDTSVXXDY-UHFFFAOYSA-N,3,1,0.295,98,63,434.427,1.896,6,0.404,0.64,1.0,0.08777671167157837,0.055590775135357415,0.058657734219724485,0.10007024878349667,0.07552386745253924
EOS-3-20374,Cn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)nc5)n34)ccn2)n1,ZVLSXPFEJXYVPR-UHFFFAOYSA-N,3,1,0.467,92,283,451.397,2.557,5,0.368,0.7,0.999,0.49649612774998286,0.5039407854156672,0.5297443629634706,0.40340792269207043,0.48339729970529777
EOS-3-20375,Cn1cc(Cl)c(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)n1,XRGCDVHPVILRJM-UHFFFAOYSA-N,3,1,0.455,36,79,438.854,3.297,5,0.418,0.65,1.0,0.41789459255705574,0.5218884929065862,0.5297529298882873,0.5374031937495717,0.5017348022753753
EOS-3-20376,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)n5)cn4)n23)cn1,OTHXFPASWBTBCN-UHFFFAOYSA-N,3,1,0.333,82,974,412.417,1.403,5,0.469,0.77,0.917,0.14825063395243643,0.07088273593310945,0.06068809540127476,0.026446096909053526,0.07656689054896854
EOS-3-20377,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4)n23)c1F,XRMJUQRZIICKER-UHFFFAOYSA-N,3,1,0.548,15,519,429.459,3.656,5,0.41,0.7,1.0,0.6285124391748338,0.6304314303337674,0.6229011034199163,0.5106658213967514,0.5981276985813172
EOS-3-20378,Cc1nc(-c2c(F)cccc2F)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,NMEYSMMRWAPJDM-UHFFFAOYSA-N,3,1,0.511,44,531,445.433,3.851,5,0.392,0.68,1.0,0.7433177986429991,0.5883506956342951,0.5766482763347269,0.5857977520389281,0.6235286306627373
EOS-3-20379,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cnccn5)cnn4)n23)cc1,KRJPRRMIIWWMLH-UHFFFAOYSA-N,3,1,0.562,4,534,416.832,3.271,5,0.43,0.72,1.0,0.6767099581934068,0.9139109725173052,0.4848793776985813,0.5408213967514222,0.6540804262901788
EOS-3-20380,Cc1ncncc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,RJPBILLAZURYGY-UHFFFAOYSA-N,3,1,0.369,33,53,479.504,2.818,6,0.374,0.81,0.986,0.220187101637996,0.08802515249126174,0.0915204578164622,0.08121444726201082,0.12023678980193268
EOS-3-20381,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)nn1,QKBWOOYAGQXXHQ-UHFFFAOYSA-N,3,1,0.462,16,772,448.849,3.718,5,0.4,0.65,1.0,0.8036375162771572,0.7038328421629771,0.6313480912891508,0.6368137893221849,0.6939080597628675
EOS-3-20382,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)nn1,PKCWRCOFRJQOMU-UHFFFAOYSA-N,3,1,0.279,99,286,436.443,1.839,6,0.406,0.6,0.736,0.06313823589884175,0.028536426564320472,0.033085463641971076,0.03217736961140429,0.0392343739291344
EOS-3-20383,Fc1ccc(CCCc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)cc1F,KVPYGXCETFBNAJ-UHFFFAOYSA-N,3,1,0.527,44,130,429.434,4.097,5,0.404,0.76,0.463,0.45729387978891095,0.4945942704406826,0.6285724076485505,0.6887207867863752,0.5672953361661298
EOS-3-20384,Cn1cc(-c2cnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nc2)cn1,IHAOQGYLAUOLPD-UHFFFAOYSA-N,3,1,0.442,92,36,419.836,2.609,5,0.4,0.73,1.0,0.38046569803303404,0.31396922760605855,0.302506682201357,0.289921869645672,0.3217158693715304
EOS-3-20385,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)nn1,URGKPGJUPHECOC-UHFFFAOYSA-N,3,1,0.511,56,415,465.481,2.356,6,0.364,0.7,1.0,0.2503940785415667,0.15964464395860462,0.14079740936193544,0.0980398876019464,0.1622190048660133
EOS-3-20386,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)ncn1,JQQMYORAULVYCY-UHFFFAOYSA-N,3,1,0.517,36,728,438.814,2.143,5,0.406,0.63,1.0,0.5745493797546433,0.7797957645123706,0.21237406620519497,0.31165615790555823,0.46959384209444177
EOS-3-20388,Fc1cc(Cc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nnc1-c1ccncc1,DXFAVPNBYYUSHP-UHFFFAOYSA-N,3,1,0.389,45,81,452.28,4.68,5,0.394,0.73,1.0,0.4715406757590295,0.6069837571105476,0.8187838393530258,0.9013347268864369,0.69966074977726
EOS-3-20389,Cc1ccc(-c2nnc3cncc(OCCc4cccc(-c5cccnc5F)n4)n23)cn1,UQVFDQRNNZJHBA-UHFFFAOYSA-N,3,1,0.511,11,796,427.443,3.712,5,0.382,0.74,0.999,0.819323555616476,0.8580888904118977,0.4604979096703447,0.40341648961688714,0.6353317113289013
EOS-3-20390,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5cccnn5)nc(C)n4C)n23)cc1Cl,DAEYXSNMEUITFC-UHFFFAOYSA-N,3,1,0.322,74,768,459.901,2.97,5,0.439,0.64,0.683,0.23947124940031525,0.227460420807347,0.12036529367418272,0.1312538551161675,0.1796377047495031
EOS-3-20391,Cc1ccc(-c2nnc3cncc(-c4cccnc4OCCc4ccc(Cl)cn4)n23)cn1,NSFZZAJJTNBTNT-UHFFFAOYSA-N,3,1,0.402,82,796,443.898,4.227,5,0.388,0.73,1.0,0.5139726543759852,0.5883592625591118,0.4569940374203276,0.43550818998012475,0.4987085360838873
EOS-3-20392,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ccnn5C)ncc4F)n23)c(F)c1,WOQPOFXEKKVXRS-UHFFFAOYSA-N,3,1,0.462,73,772,434.41,3.147,5,0.419,0.64,1.0,0.5860547597834281,0.5681241861421424,0.39169693646768555,0.3753769446919334,0.4803132067712974
EOS-3-20393,Cc1cnc(-c2cc(-c3nnc4cncc(COc5ccnc(Cl)c5)n34)ccn2)cn1,ZEZVXPFVXLTDMN-UHFFFAOYSA-N,3,1,0.374,75,99,430.859,3.579,5,0.39,0.71,1.0,0.41556438900692205,0.4145534918785553,0.4353882530326914,0.409995887876088,0.4188755054485642
EOS-3-20394,C#Cc1ccc(COc2cncc3nnc(-c4cc(-c5cncc(F)c5)ccn4)n23)cn1,GSLQDMGGUODCBE-UHFFFAOYSA-N,3,1,0.457,46,160,423.411,3.343,5,0.401,0.72,1.0,0.6578969912960044,0.5265231992324035,0.7272462476869302,0.6712785278596395,0.6457362415187444
EOS-3-20395,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)cc1,CZFNCNAMDNARDI-UHFFFAOYSA-N,3,1,0.645,1,230,428.839,4.55,5,0.404,0.81,1.0,0.9558974710437941,0.9446405318346927,0.8558957576588307,0.872626961825783,0.9072651805907751
EOS-3-20396,Cn1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2)n1,LCRIXHDSHXCVKL-UHFFFAOYSA-N,3,1,0.411,61,740,411.429,1.671,5,0.465,0.81,1.0,0.20931567404564458,0.07779624426016037,0.1287266122952505,0.08815365636351176,0.12599804674114182
EOS-3-20397,Cc1cncc(-c2ncc(COc3cncc4nnc(-c5ccc(CF)cc5)n34)cc2F)n1,CSJIJHQHVBCGMB-UHFFFAOYSA-N,3,1,0.534,16,731,445.433,4.139,5,0.388,0.69,1.0,0.8864796792543349,0.7038414090877938,0.6746538962374066,0.6101877869919814,0.7187906928928791
EOS-3-20398,Cc1cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)c2)ccc1F,ZQPDOJJZGHNIQG-UHFFFAOYSA-N,3,1,0.276,10,155,437.442,3.877,6,0.449,0.65,0.994,0.04512199300938935,0.17154410252895622,0.5986481392639298,0.5733500102803097,0.3471660612706463
EOS-3-20399,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)cn5)n34)cn2)no1,PFHDIZGHAIOVMO-UHFFFAOYSA-N,3,1,0.323,70,392,422.408,3.867,6,0.417,0.76,1.0,0.1842145843328079,0.15202008087177027,0.1982643410321431,0.20450962922349394,0.1847521588650538
EOS-3-20400,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(CF)nn5)ccc4F)n23)cn1,KXUKQGCBQOAEMY-UHFFFAOYSA-N,3,1,0.494,4,677,446.421,3.534,5,0.39,0.7,1.0,0.7004917414844767,0.7627047495031184,0.5019361250085669,0.4606178466177781,0.606437615653485
EOS-3-20401,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)o1,FMOABSJCOAGOGH-UHFFFAOYSA-N,3,1,0.31,76,601,440.402,2.838,6,0.38,0.67,0.866,0.16475053114933863,0.28336817216092114,0.20881022548146116,0.2571619491467343,0.2285227194846138
EOS-3-20402,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)cn1,OTADZJIRNYDWPG-UHFFFAOYSA-N,3,1,0.643,90,281,414.347,2.324,4,0.485,0.74,1.0,0.642947707490919,0.46353060105544514,0.7245305325200466,0.662600233020355,0.6234022685216914
EOS-3-20403,Cn1cncc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)cn1,ZCQFEYSATYDUCU-UHFFFAOYSA-N,3,1,0.326,10,151,453.897,4.093,6,0.399,0.73,1.0,0.005465698033034062,0.12978034404770064,0.5262918922623535,0.6008327050921801,0.3155926598588171
EOS-3-20404,CCc1cnc(COc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)cn1,PMJLHDCLZSWSHR-UHFFFAOYSA-N,3,1,0.467,2,535,428.431,3.319,5,0.406,0.7,1.0,0.5691864848194093,0.5975944075114796,0.31737029675827566,0.2840106915221712,0.44204047015283393
EOS-3-20405,c1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cnnn6)nc5)n34)cc2)cs1,GSYKPPIPBDMMOM-UHFFFAOYSA-N,3,1,0.523,40,2,453.491,3.47,6,0.377,0.72,1.0,0.382710232335001,0.26280755260091837,0.35446508121444725,0.3462751010897128,0.3365644918100199
EOS-3-20406,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cnc(C)nc4)n23)cn1,JPLUEMLJJUMRSO-UHFFFAOYSA-N,3,1,0.26,86,899,461.493,3.292,6,0.38,0.73,0.959,0.097483037488863,0.04458227674593928,0.058666301144541154,0.0542629017887739,0.06374862929202933
EOS-3-20407,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)ccc1F,KVFLVAOATBRULD-UHFFFAOYSA-N,3,1,0.489,4,911,433.422,3.752,5,0.42,0.69,1.0,0.6175039407854157,0.5681327530669591,0.7373809197450483,0.6566804879720376,0.6449245253923652
EOS-3-20408,COc1cncc(COc2cncc3nnc(-c4ccc(Cl)c(OC)c4F)n23)n1,VGDPJUZSYWPLMX-UHFFFAOYSA-N,3,1,0.465,90,555,416.8,2.97,4,0.473,0.71,1.0,0.792294907819889,0.8580974573367144,0.5699232403536426,0.43824960592145845,0.6646413028579261
EOS-3-20409,Fc1cc(-c2nnc3cncc(-c4cnc(Cl)c(-c5ccc(Cl)cn5)n4)n23)ccn1,QWEHTAGIABPGRG-UHFFFAOYSA-N,3,1,0.347,50,155,439.241,4.151,5,0.39,0.72,1.0,0.3641371393324652,0.512687615653485,0.6375419779316017,0.7852614625454047,0.5749070488657392
EOS-3-20410,COc1ccc(-n2ncnc2-c2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)cc1,SDEXZTJWEUSPIO-UHFFFAOYSA-N,3,1,0.322,10,871,448.45,2.9,6,0.392,0.64,1.0,0.0209975327256528,0.016122952504968816,0.254951682544034,0.23071585223768076,0.1306970050030841
EOS-3-20411,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cc(-c4cccnn4)ccn3)n12,KFHGCKPGZKODOM-UHFFFAOYSA-N,3,1,0.398,46,564,434.822,3.41,5,0.414,0.63,1.0,0.6429562744157358,0.5681413199917758,0.6551127407305873,0.6801281611952573,0.636584624083339
EOS-3-20412,Cc1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)c(-c2ncc(F)cn2)n1,WUDUPCKJHTVZNA-UHFFFAOYSA-N,3,1,0.441,65,795,429.419,2.502,5,0.401,0.66,1.0,0.772539579192653,0.7410304297169488,0.06660784044959221,0.06994037420327599,0.4125295558906175
EOS-3-20413,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)nc1,XAIHJNQUKNIJOU-UHFFFAOYSA-N,3,1,0.247,70,813,433.439,2.501,6,0.412,0.62,1.0,0.03479028168048797,0.012147899390034952,0.20881879240627785,0.1956000274141594,0.11283925022274005
EOS-3-20414,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)c2)ncn1,JICAMMSHLYSAPM-UHFFFAOYSA-N,3,1,0.533,37,847,430.447,3.051,5,0.408,0.68,1.0,0.4433640600370091,0.4501062298677267,0.4392776368994586,0.35915118908916455,0.42297477897333974
EOS-3-20415,Clc1cnc(COc2cncc3nnc(-c4cc(-c5cncc(Cl)c5)ccn4)n23)nc1,VDPJAHNIUAQKOF-UHFFFAOYSA-N,3,1,0.385,51,196,451.277,3.924,5,0.396,0.67,1.0,0.5015420464670002,0.5400846412171887,0.505517099581934,0.6192858611472826,0.5416074121033514
EOS-3-20416,Clc1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1,MZVMESVYROCDDL-UHFFFAOYSA-N,3,1,0.365,32,572,463.892,4.421,6,0.378,0.76,0.977,0.2422297991912823,0.38147659516140087,0.5091580426290179,0.6368223562470016,0.4424216983071757
EOS-3-20417,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,SWTDYAUNBVDPOS-UHFFFAOYSA-N,3,1,0.712,43,11,434.862,4.563,5,0.405,0.75,1.0,0.8115961894318415,0.7410389966417654,0.8676924131313823,0.8597251730518813,0.8200131930642176
EOS-3-20418,c1ccc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)nn2)nc1,MAIMXXRLGYXUEM-UHFFFAOYSA-N,3,1,0.302,86,249,420.4,1.681,6,0.414,0.66,0.99,0.00046261394010006166,0.002510108971283668,0.06069666232609142,0.07950106229867726,0.03579261188403811
EOS-3-20419,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)cc1,PWRASXBMMCLBSO-UHFFFAOYSA-N,3,1,0.568,15,320,432.875,3.257,5,0.38,0.69,1.0,0.8370656569117949,0.7362929202933315,0.33554931121924475,0.3591597560139812,0.5670169111095881
EOS-3-20420,Fc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cnc(F)cn5)c4)n23)c1,OGKNWCSROONDJG-UHFFFAOYSA-N,3,1,0.479,65,858,432.394,2.938,5,0.403,0.65,1.0,0.7952504968816394,0.7456394352683161,0.595264203961346,0.5733585772051264,0.6773781783291069
EOS-3-20421,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4cncnn4)nc3)n12,YHTMPFIFYZALSD-UHFFFAOYSA-N,3,1,0.44,55,564,435.81,2.805,5,0.41,0.64,1.0,0.8415889932149956,0.7714258789664862,0.5699318072784594,0.5920773079295456,0.6937559968473717
EOS-3-20422,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)c(F)c1,MGJLUQQPAYVASD-UHFFFAOYSA-N,3,1,0.304,39,449,455.388,3.639,6,0.392,0.68,1.0,0.34826262764717975,0.3814851620862175,0.44983208827359333,0.5344047700637379,0.42849616201768215
EOS-3-20424,Cc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3ccc(-c4cn(C)nn4)cn3)n12,BSDDAVNXOSGJJB-UHFFFAOYSA-N,3,1,0.274,99,866,450.47,2.148,6,0.396,0.62,1.0,0.028724898910287164,0.028544993489137138,0.06877527242820917,0.06641936810362552,0.048116133232814745
EOS-3-20425,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)c1,WZKMKHMPFJQZTH-UHFFFAOYSA-N,3,1,0.541,43,521,435.85,3.958,5,0.415,0.67,1.0,0.580100747035844,0.644909533273936,0.7884140908779385,0.8120502364471249,0.7063686519087109
EOS-3-20426,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)nn2C)o1,LBBBBHNFCWZWDA-UHFFFAOYSA-N,3,1,0.435,95,998,423.383,3.345,5,0.428,0.69,0.999,0.4111524227263382,0.33794805016791174,0.5534833116304572,0.5041977931601672,0.45169539442121853
EOS-3-20427,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)nc2)nc1,LRGFIUOXJARPHD-UHFFFAOYSA-N,3,1,0.432,51,775,449.837,2.847,5,0.385,0.62,1.0,0.7433263655678157,0.7756236721266534,0.18145603454184087,0.23959975327256527,0.4850014563772188
EOS-3-20428,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnn6)n5)n34)cn2)c1,ROVOWHYRYHTZAO-UHFFFAOYSA-N,3,1,0.349,10,887,464.88,3.816,6,0.383,0.69,0.72,0.1953430196696594,0.3330049345486944,0.32815605510246043,0.4759612089644301,0.3331163045713111
EOS-3-20429,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)nc2)nn1,ZICDKKQVPUAVIN-UHFFFAOYSA-N,3,1,0.263,99,813,437.431,1.234,6,0.395,0.62,0.997,0.01618292097868549,0.013398670413268454,0.02399595641148653,0.0205177849359194,0.01852383318483997
EOS-3-20430,Fc1ccnc(-c2cccc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)n2)n1,SNHXNUWEOPYKCC-UHFFFAOYSA-N,3,1,0.279,30,301,447.437,3.906,6,0.375,0.71,0.669,0.26082002604345145,0.2833767390857378,0.3320026043451443,0.4100044548009047,0.32155095606880957
EOS-3-20431,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)n1,DAXXCLHWGCKWIC-UHFFFAOYSA-N,3,1,0.311,10,37,422.412,2.792,6,0.421,0.72,1.0,0.052678020697690356,0.051735658967856896,0.0752604345144267,0.09206874100472895,0.06793571379617572
EOS-3-20432,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5cccnc5F)c4)n23)c1F,CEZGEZFEOHGRRX-UHFFFAOYSA-N,3,1,0.483,59,884,434.381,4.245,5,0.385,0.78,1.0,0.8664587759577822,0.8668785552737989,0.9457456651360427,0.9385066136659584,0.9043974025083955
EOS-3-20433,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nc1,DNPVBSKLEVWKTH-UHFFFAOYSA-N,3,1,0.506,2,491,448.849,3.452,5,0.389,0.65,1.0,0.7670653142348023,0.7883883901034885,0.4605064765951614,0.5174936604756357,0.633363460352272
EOS-3-20434,OCc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,JZCNTIGOCDYSEB-UHFFFAOYSA-N,3,1,0.602,16,32,434.847,2.492,5,0.433,0.66,1.0,0.4715492426838462,0.5929768350352957,0.3544736481392639,0.41322561853197176,0.4580563360975944
EOS-3-20436,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ncc(C)cn1,GYYVDJPVWYUTTK-UHFFFAOYSA-N,3,1,0.523,4,248,445.508,3.909,5,0.388,0.77,1.0,0.3827187992598177,0.2525700774450003,0.1590877938455212,0.07588582002604345,0.21756562264409568
EOS-3-20437,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1nccc(C)n1,KAOLUZZNCCUNKC-UHFFFAOYSA-N,3,1,0.534,4,248,445.508,3.909,5,0.388,0.77,1.0,0.3827273661846344,0.28338530601055445,0.15909636077033787,0.07192790076074293,0.22428423343156742
EOS-3-20438,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4cnc(C(F)(F)F)cn4)n23)c1,MKKQCAVJWJGGNG-UHFFFAOYSA-N,3,1,0.461,27,51,453.388,2.975,5,0.4,0.64,1.0,0.5165341648961689,0.4635391679802618,0.7399338633404153,0.5702487834966761,0.5725639949283805
EOS-3-20439,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cn1,PEVWERHTVIMKHS-UHFFFAOYSA-N,3,1,0.524,1,676,448.408,4.846,5,0.383,0.82,1.0,0.8295781646220273,0.6989839627167432,0.959898224933178,0.9081968336645878,0.849164296484134
EOS-3-20440,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)s4)n23)nc1,KFJLSTHSYNDLEM-UHFFFAOYSA-N,3,1,0.25,99,259,440.496,3.111,6,0.415,0.66,0.972,0.01619148790350216,0.07089130285792612,0.09374785826879584,0.09008978137207868,0.0677301076005757
EOS-3-20441,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ncc(F)cn5)cn4)n23)cn1)N1CC(F)C1,VVGVXVKCAQFGEV-UHFFFAOYSA-N,3,1,0.29,50,489,472.419,2.033,6,0.386,0.67,0.969,0.20932424097046123,0.18872935371119184,0.027268521691453634,0.07391542731820985,0.12480938592282914
EOS-3-20442,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5ncc(F)cn5)cn4)n23)nc1,IQIWDUOKVOXZRA-UHFFFAOYSA-N,3,1,0.295,33,489,472.419,2.429,6,0.382,0.69,0.996,0.217531354944829,0.18028236584195736,0.07083990130902611,0.12688472345966692,0.14888458638886984
EOS-3-20443,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cncnc6)c5)n34)cn2)n1,RMCKORMITGEHIZ-UHFFFAOYSA-N,3,1,0.295,94,165,443.474,4.076,6,0.401,0.69,0.826,0.10995648002193133,0.10700089096018094,0.48488794462339796,0.4448547049551093,0.28667500514015487
EOS-3-20444,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2F)n1,SXKMAIFCNVUOBX-UHFFFAOYSA-N,3,1,0.535,4,554,435.85,3.958,5,0.389,0.73,1.0,0.6034884517853472,0.6449181001987526,0.7194075114796793,0.7165118908916456,0.6710814885888562
EOS-3-20445,Cc1cc(F)cnc1-c1cncc(COc2cncc3nnc(-c4ccc(F)cn4)n23)c1,DGCWMHSWWFNBJG-UHFFFAOYSA-N,3,1,0.422,46,915,431.406,3.809,5,0.418,0.66,1.0,0.7610427660886848,0.6118497704064149,0.6907425810431088,0.6595589747104379,0.6807985230621616
EOS-3-20446,Cc1nc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)cn2)no1,GYQGANQNYGPKBA-UHFFFAOYSA-N,3,1,0.323,86,72,434.423,3.064,6,0.407,0.64,1.0,0.1261993694743335,0.12293537111918305,0.07311870331025976,0.08816222328832843,0.10260391679802619
EOS-3-20447,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cn2)n1,DHDHQOVYYDKFJE-UHFFFAOYSA-N,3,1,0.286,94,165,434.423,3.064,6,0.407,0.64,1.0,0.17007059146048933,0.14069460626413544,0.12873517922006716,0.12488862997738331,0.1410972517305188
EOS-3-20448,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)cn1,HMAFERWOYSCGDZ-UHFFFAOYSA-N,3,1,0.337,82,974,411.429,2.008,5,0.481,0.79,1.0,0.08116304571311082,0.05559934206017408,0.15580666164073745,0.08634603522719485,0.0947287711603043
EOS-3-20449,O=C(c1ccc(-c2cncc3nnc(-c4cnccc4-c4cc(F)ccn4)n23)cc1)N1CC(F)C1,BGTATHRDBIHWND-UHFFFAOYSA-N,3,1,0.339,52,376,469.455,3.848,6,0.397,0.72,1.0,0.2715458159139195,0.262816119525735,0.3917055033925022,0.527337057089987,0.36335112398053593
EOS-3-20450,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5nc(C)n[nH]5)c(F)c4)n23)cn1,XTIZYOCWFCHSIX-UHFFFAOYSA-N,3,1,0.457,13,374,418.392,3.22,5,0.462,0.73,1.0,0.7252844219039134,0.67428551847029,0.43539681995750806,0.30853779727229114,0.5358761394010007
EOS-3-20451,COc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ncccc1F,YDPUJCFJOFOIIY-UHFFFAOYSA-N,3,1,0.533,35,846,443.442,3.413,5,0.377,0.68,1.0,0.7952590638064561,0.6840518127612912,0.47092385717222945,0.3848690973888013,0.5837759577821945
EOS-3-20452,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6F)n5)n34)cn2)cn1,ULKWWLAOAGOTSX-UHFFFAOYSA-N,3,1,0.301,10,952,455.392,2.564,6,0.369,0.66,0.992,0.024141594133369887,0.2070711397436776,0.2337142759235145,0.3207627989856761,0.19642245219655952
EOS-3-20453,COc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,QIJWUBJTJYZYBH-UHFFFAOYSA-N,3,1,0.595,11,796,424.464,3.878,5,0.392,0.75,1.0,0.5091409087793846,0.25257864436981703,0.5019446919333836,0.4034250565417038,0.41677232540607223
EOS-3-20454,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5cncnc5F)nn5ccccc45)n23)cc1,KOBZOWHYOZNEFE-UHFFFAOYSA-N,3,1,0.323,62,139,465.452,3.062,6,0.398,0.67,1.0,0.16743197861695566,0.22746898773216367,0.3355578781440614,0.3147659516140086,0.26130619902679736
EOS-3-20455,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)n23)cc1,ILAVVXCJLMDJMD-UHFFFAOYSA-N,3,1,0.437,52,229,483.507,3.47,6,0.389,0.84,1.0,0.08538653964772805,0.04459084367075595,0.06273559043245837,0.154967103008704,0.0869200191899116
EOS-3-20456,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cnn2)no1,JLLBPEWMUMIHMU-UHFFFAOYSA-N,3,1,0.535,27,51,436.382,3.456,5,0.394,0.72,1.0,0.6887122198615585,0.5539030909464738,0.5229593585086697,0.4669830717565623,0.5581394352683161
EOS-3-20457,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)cc5Cl)n34)cc2)nn1,ADXYVZFXJYAMOY-UHFFFAOYSA-N,3,1,0.333,98,866,470.888,2.493,6,0.381,0.67,1.0,0.20096292234939347,0.23216366253169762,0.11458261942293195,0.16831437187307244,0.17900589404427386
EOS-3-20458,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ncc[nH]5)cc4)n23)cc1,FPWURSJJIDYMFV-UHFFFAOYSA-N,3,1,0.306,3,498,435.426,3.84,6,0.448,0.64,0.999,0.1783890754574738,0.2731735316290864,0.48489651154821467,0.5950757316153793,0.3828837125625385
EOS-3-20459,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1ncccn1,HYMNLNUNQAFIPJ-UHFFFAOYSA-N,3,1,0.484,7,248,446.858,3.279,5,0.387,0.69,1.0,0.757787334658351,0.6499811527654034,0.36922589267356587,0.292808923308889,0.5174508258515523
EOS-3-20460,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnn5)cn4)n23)cc1,UMWGZVQUXYPQMK-UHFFFAOYSA-N,3,1,0.573,4,32,416.832,3.271,5,0.43,0.73,1.0,0.7127167431978617,0.869894112809266,0.5431173326022891,0.5829106983757111,0.6771597217462819
EOS-3-20461,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cn2)n1,LQEMAOQSZRJIAI-UHFFFAOYSA-N,3,1,0.301,32,664,451.881,4.149,6,0.371,0.74,0.83,0.010614419847851416,0.11016208621753136,0.44276437529984236,0.5175022274004524,0.2702607771914194
EOS-3-20462,COCc1ncc(-c2cc(Oc3cncc4nnc(-c5ccc(F)cc5)n34)n(C)n2)n1C,NIFPIPGHINNHJR-UHFFFAOYSA-N,3,1,0.447,36,706,434.435,3.003,5,0.405,0.68,1.0,0.5860633267082448,0.6167757521759989,0.22627818518264683,0.1930727845932424,0.40554751216503315
EOS-3-20463,N#Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5)n4)n23)c1,GRBTZUIMQVMFTK-UHFFFAOYSA-N,3,1,0.288,39,144,461.424,2.902,6,0.388,0.68,1.0,0.02873346583510383,0.16735487629360565,0.26923274621341925,0.41001302172572135,0.2188335275169625
EOS-3-20464,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nn5)cn4)n23)nc1,GNRXWISAEUNEQX-UHFFFAOYSA-N,3,1,0.407,46,915,452.265,3.319,5,0.396,0.62,1.0,0.5218028236584196,0.6449266671235693,0.3209769721060928,0.4355167569049414,0.4808058049482558
EOS-3-20465,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccn2)nn1,SXSOYYWHRCIWCA-UHFFFAOYSA-N,3,1,0.5,24,910,431.406,3.809,5,0.418,0.67,1.0,0.722097525872113,0.6645106572544719,0.7498886299773834,0.7112860667534782,0.7119457199643616
EOS-3-20466,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ncn2)cnc1F,FMJIPIZOFHKLDE-UHFFFAOYSA-N,3,1,0.452,18,194,432.394,2.938,5,0.377,0.7,0.983,0.7191162360359126,0.5539116578712905,0.6018778699198136,0.5669162497429923,0.6104555033925023
EOS-3-20467,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)cnc4F)n23)ccn1,QPVCZWVGCIHZKE-UHFFFAOYSA-N,3,1,0.489,58,578,432.394,2.938,5,0.377,0.7,1.0,0.7725481461174697,0.7270063737920636,0.5766568432595436,0.5539887601946405,0.6575500308409293
EOS-3-20469,Cc1ncc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)nn1,XIVMLIVABANVAM-UHFFFAOYSA-N,3,1,0.269,99,286,448.454,2.204,6,0.394,0.61,1.0,0.08539510657254472,0.03131211020492084,0.03843979165238846,0.039930436570488656,0.04876936125008567
EOS-3-20470,Cn1ccnc1-c1cncc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,SXHUAMGUEFUHDN-UHFFFAOYSA-N,3,1,0.535,16,772,419.395,3.444,5,0.434,0.72,1.0,0.7577959015831677,0.6937752724282091,0.732437804125831,0.69999485984511,0.7210009594955795
EOS-3-20471,Cn1c(Cc2ccc(F)c(F)c2)nnc1Cc1cncc2nnc(-c3ccc(Cl)cc3)n12,JVBKWDXOYLZWDP-UHFFFAOYSA-N,3,1,0.442,34,358,451.868,4.033,5,0.403,0.73,1.0,0.427352477554657,0.6398893153313686,0.5665735727503255,0.7559882804468508,0.5974509115208005
EOS-3-20472,Cc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)cn1,HRPDHUMDYNXQLE-UHFFFAOYSA-N,3,1,0.429,46,128,448.849,3.718,5,0.4,0.68,1.0,0.6313909259132342,0.7410475635665822,0.43157597148927423,0.46062641354259476,0.5661602186279213
EOS-3-20473,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccnn5C)nn4)n23)cn1,QLTBUEZMFDBPJV-UHFFFAOYSA-N,3,1,0.34,99,502,452.442,1.965,6,0.381,0.67,1.0,0.27155438283873623,0.1673634432184223,0.04940545541772325,0.03329963676238777,0.1304057295593174
EOS-3-20474,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6F)cn5)n34)nc2)nn1,MCZOORYNEUZJKV-UHFFFAOYSA-N,3,1,0.284,32,572,467.443,3.989,6,0.387,0.73,0.98,0.11263792748954835,0.17607600575697346,0.6852254814611747,0.7053663217051607,0.4198264341032143
EOS-3-20475,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5c(F)cccc5F)nc4)n23)cc1,VLYLDQMDIZOENI-UHFFFAOYSA-N,3,1,0.325,25,228,467.443,3.989,6,0.387,0.73,1.0,0.22578987046809676,0.37181310396819955,0.6170241929956822,0.6887293537111918,0.4758391302857926
EOS-3-20476,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)nc1,QDPLDVVUMBVFQS-UHFFFAOYSA-N,3,1,0.268,70,813,434.467,3.049,6,0.42,0.62,1.0,0.033582345281337814,0.026129120690836817,0.28820848468233845,0.23655849496264822,0.14611961140429033
EOS-3-20477,Fc1ncncc1-c1cncc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,DTLHKRQCFLQBKR-UHFFFAOYSA-N,3,1,0.433,2,419,452.812,3.549,5,0.373,0.73,1.0,0.8193321225412926,0.7798043314371873,0.8514837913782468,0.8495390994448633,0.8250398362003974
EOS-3-20478,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccn2)cn1,QWUQDBGDGWBHMR-UHFFFAOYSA-N,3,1,0.65,27,996,461.432,4.132,5,0.357,0.78,1.0,0.9263758481255568,0.8165992735247756,0.8116390240559249,0.7027962442601604,0.8143525974916044
EOS-3-20479,c1ccc(-c2cncnc2-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cc1,FCTGWEXYGRQDSC-UHFFFAOYSA-N,3,1,0.25,10,342,419.412,2.286,6,0.423,0.69,0.923,0.012173600164484957,0.013407237338085121,0.051204509629223495,0.10428517579329724,0.045267630731272705
EOS-3-20481,Cc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)no1,WHHIBRQVKUGWSI-UHFFFAOYSA-N,3,1,0.554,16,772,437.822,3.916,5,0.407,0.74,1.0,0.8062504283462408,0.8420173394558289,0.6170327599204989,0.6307141388527174,0.7240036666438215
EOS-3-20482,COc1nc(-c2nnc3cncc(Oc4ncccc4Cl)n23)ccc1-c1nccn1C,UOBKNMIWRHNNTE-UHFFFAOYSA-N,3,1,0.354,49,551,434.847,3.436,5,0.414,0.68,1.0,0.49389178260571587,0.4097817147556713,0.1879925981769584,0.15238845863888698,0.31101363854430814
EOS-3-20483,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(Cl)nn5)c4)n23)cn1,HQWDTYZKKGTEMN-UHFFFAOYSA-N,3,1,0.518,43,613,447.861,4.323,5,0.396,0.74,1.0,0.8510383112877802,0.8518864368446303,0.777619765608937,0.7637756151052019,0.8110800322116373
EOS-3-20484,Cc1ncc(-c2nnc3cncc(COCc4ccc(-c5cnc(F)cn5)nc4)n23)cn1,WOENLKLVMPNEAQ-UHFFFAOYSA-N,3,1,0.414,7,489,429.419,2.598,5,0.401,0.63,1.0,0.39395860461928583,0.34321670893016243,0.29519909533273936,0.23656706188746487,0.3172353676924131
EOS-3-20485,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)no1,POKUMUFVWNWJNI-UHFFFAOYSA-N,3,1,0.5,73,446,439.798,2.706,5,0.402,0.7,1.0,0.5860718936330614,0.7672452196559523,0.1145911863477486,0.21339353025837846,0.42032545747378525
EOS-3-20486,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cc4)n23)cn1,MEIOVXYWASTMHZ-UHFFFAOYSA-N,3,1,0.35,96,204,412.478,3.941,5,0.483,0.82,1.0,0.2201956685628127,0.1070094578849976,0.35806318963744777,0.32077136591049277,0.2515099204989377
EOS-3-20487,COc1ccc(-c2cnc(C)nn2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,KVJRUUSZLSDZIZ-UHFFFAOYSA-N,3,1,0.33,52,295,479.504,2.915,6,0.39,0.8,1.0,0.2635271742855185,0.10701802480981427,0.051213076554040164,0.046338496333356176,0.11702419299568227
EOS-3-20488,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n[nH]2)cn1,KXUNTRZHTKQJMK-UHFFFAOYSA-N,3,1,0.313,42,723,436.414,3.235,6,0.418,0.67,0.94,0.17839764238229044,0.3139777945308752,0.3692344595983826,0.4132341854567884,0.31871102049208416
EOS-3-20489,Cc1c(-c2nc(-c3cncc4nnc(-c5cccnc5-c5nccn5C)n34)no2)cnn1C,ZAWYMMMRNRWMBE-UHFFFAOYSA-N,3,1,0.25,86,812,439.443,2.346,6,0.406,0.64,1.0,0.061484819409224865,0.034499006236721266,0.013415804262901789,0.008858200260434514,0.029564457542320607
EOS-3-20490,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cnn2)n1,ICLWQCHVNBKEEY-UHFFFAOYSA-N,3,1,0.312,98,112,424.388,1.489,6,0.404,0.68,1.0,0.15115482146528683,0.055607908984990746,0.03438763621410459,0.04119834144335549,0.07058717702693441
EOS-3-20491,Cc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3ncc(F)cc3Cl)n12,ADXWBWYGCIZBHD-UHFFFAOYSA-N,3,1,0.452,47,164,450.865,3.694,5,0.42,0.67,1.0,0.7868120759372216,0.7585840586663012,0.48836611609896513,0.5207919265300528,0.6386385443081352
EOS-3-20492,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C)c5C)cn4)n23)cn1,YGTXVEOXWFAMOC-UHFFFAOYSA-N,3,1,0.473,92,205,455.482,2.229,5,0.413,0.67,1.0,0.26879583304776916,0.16356829552463847,0.11764101158248236,0.03873106709615516,0.14718405181276129
EOS-3-20493,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(Cl)n5)n4)n23)cc1,JVIPDLWGBFVCJJ-UHFFFAOYSA-N,3,1,0.313,98,973,455.873,2.883,6,0.372,0.69,1.0,0.05791241176067439,0.1596532108834213,0.1232437804125831,0.2012456308683435,0.13551375848125558
EOS-3-20494,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)nc5)n34)cn2)n1,RKRVKZZINJLASI-UHFFFAOYSA-N,3,1,0.293,86,151,448.494,3.451,6,0.407,0.65,0.902,0.025075388938386678,0.0635237475155918,0.1718696456719896,0.12255842642724968,0.09575680213830444
EOS-3-20495,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)cn1,YVIWEMXBKZPJDT-UHFFFAOYSA-N,3,1,0.437,45,575,421.798,4.242,5,0.405,0.77,1.0,0.4203018984305394,0.7499657323007334,0.7822030703858543,0.8695771365910493,0.705511959427044
EOS-3-20496,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,XDTVEJSAGTWVFM-UHFFFAOYSA-N,3,1,0.316,30,289,416.448,4.101,6,0.43,0.79,1.0,0.026326159961620178,0.040958467548488794,0.36924302652319924,0.4382581728462751,0.21869645671989582
EOS-3-20497,Clc1cccc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)c1,LEOFFDIZBRGVTH-UHFFFAOYSA-N,3,1,0.35,10,952,466.896,3.604,6,0.378,0.72,0.969,0.08312487149612775,0.17155266945377287,0.16224898910287164,0.3207799328353094,0.1844266157220204
EOS-3-20498,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)n[nH]1,XMBUPWWOVIMXKN-UHFFFAOYSA-N,3,1,0.438,73,196,450.825,2.217,5,0.414,0.74,1.0,0.7342025906380646,0.6645192241792885,0.29890000685353985,0.3207884997601261,0.5046025803577548
EOS-3-20499,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,NWDPYJKLMYGNRZ-UHFFFAOYSA-N,3,1,0.427,8,474,465.908,4.364,6,0.381,0.76,1.0,0.09749160441367967,0.26282468645055174,0.295207662257556,0.43552532382975806,0.27276231923788635
EOS-3-20500,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nccnn5)cn4)n23)n1,QYXVYQXIYMIYMA-UHFFFAOYSA-N,3,1,0.294,94,892,449.413,2.696,6,0.37,0.66,0.978,0.29323726954972246,0.3238811596189432,0.2088273593310945,0.25717051607155095,0.2707790761428278
EOS-3-20501,Clc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)cn1,ZRCKHEIYIYYTLH-UHFFFAOYSA-N,3,1,0.354,29,575,455.696,4.666,5,0.365,0.81,1.0,0.38496333356178464,0.5832619422931944,0.719416078404496,0.8645826194229319,0.6380559934206017
EOS-3-20502,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cccnc5)n4)n23)nc1,FAWFLBCLUBIZKM-UHFFFAOYSA-N,3,1,0.284,70,687,431.463,3.711,6,0.419,0.66,1.0,0.052686587622507025,0.023756082516619835,0.34669488040572954,0.3334418477143445,0.1891448495648002
EOS-3-20503,N#Cc1ccnc(-c2cnnc(COc3cncc4nnc(-c5ccccc5F)n34)n2)c1,GWXDJSPZJPLIMB-UHFFFAOYSA-N,3,1,0.489,4,446,425.387,2.628,5,0.417,0.67,1.0,0.697493317798643,0.7926889863614557,0.4168579946542389,0.4788910972517305,0.596482849016517
EOS-3-20504,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)cc1,IXHBLLPXOLIRGJ-UHFFFAOYSA-N,3,1,0.319,98,882,422.412,2.699,6,0.421,0.65,1.0,0.10746350490028099,0.04459941059557261,0.1622575560276883,0.15497566993352066,0.11732403536426564
EOS-3-20505,Cn1nnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)n1,PECNGGQNIUJXQH-UHFFFAOYSA-N,3,1,0.303,70,652,434.427,1.896,6,0.404,0.61,0.97,0.04788910972517305,0.0237646494414365,0.03056678774587074,0.04911417997395655,0.03783368172160921
EOS-3-20506,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cn5)n34)nn2)c1,HCQLRWWPAGWOFZ-UHFFFAOYSA-N,3,1,0.284,10,37,425.391,2.358,6,0.456,0.65,0.936,0.018915769995202524,0.12650777876773353,0.22628675210746352,0.3020526351860736,0.1684407340141183
EOS-3-20507,Cn1ccc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)c2)n1,GIVUJJVHLITDEK-UHFFFAOYSA-N,3,1,0.321,64,449,449.453,3.85,6,0.403,0.68,1.0,0.12343225275854978,0.1931327530669591,0.467659858817079,0.5106743883215681,0.32372481324103897
EOS-3-20508,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cn(C)nc5C)cn4)n23)nn1,RQLMLMFECMOJAL-UHFFFAOYSA-N,3,1,0.427,31,602,427.472,2.615,5,0.407,0.68,0.999,0.2662343225275855,0.11017065314234803,0.07955246384757728,0.04501918991158933,0.12524415735727504
EOS-3-20509,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,WBNDDEOJSYJVTQ-UHFFFAOYSA-N,3,1,0.333,64,885,435.422,4.709,6,0.396,0.78,1.0,0.35965663765334793,0.4005465698033034,0.6581454321156878,0.7192190391337125,0.5343919196765129
EOS-3-20510,Fc1ccc(-c2nccnc2-c2nnc3cncc(Cc4ccc(-c5cncnn5)nc4)n23)cc1,MYWCMWYSFRECTJ-UHFFFAOYSA-N,3,1,0.306,39,972,462.452,3.225,6,0.38,0.67,0.743,0.3316085258035775,0.2525872112946337,0.31345521211705846,0.384877664313618,0.3206321533822219
EOS-3-20511,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cn2)no1,YHLMELLYUZLSJN-UHFFFAOYSA-N,3,1,0.318,42,693,441.386,3.401,6,0.4,0.68,1.0,0.2822202042354876,0.352717428551847,0.2656860393393188,0.27807381262422043,0.29467437118771844
EOS-3-20512,Fc1cnc(CCOc2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cc1F,ZTJIYIMNKQAIJQ-UHFFFAOYSA-N,3,1,0.505,87,307,432.394,2.938,5,0.403,0.63,1.0,0.7754351997806868,0.7178483311630457,0.4244397231169899,0.42588753341100677,0.5859026968679323
EOS-3-20513,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cc2)n(C)n1,YZIBDKXEUIUDSS-UHFFFAOYSA-N,3,1,0.347,69,898,444.502,4.624,6,0.394,0.76,1.0,0.07665684325954356,0.06353231444040847,0.3732437804125831,0.3818449729285176,0.22381947776026317
EOS-3-20514,C#Cc1ccc(COc2cncc3nnc(-c4cc(-c5cc(F)ccn5)cnn4)n23)cn1,FKIMBFREXAYZMU-UHFFFAOYSA-N,3,1,0.447,53,873,424.399,2.738,5,0.397,0.7,1.0,0.5801093139606607,0.47198615584949627,0.5630439997258584,0.5273456240148037,0.5356212733877048
EOS-3-20515,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cccnc5)cn4)n23)cc1,WBGLVUGCLQJHOL-UHFFFAOYSA-N,3,1,0.351,32,515,446.449,4.511,6,0.393,0.75,0.995,0.2764803646083202,0.409790281680488,0.6799482557741073,0.7326091426221644,0.5247070111712699
EOS-3-20516,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,XLOWVDFHCBPNOD-UHFFFAOYSA-N,3,1,0.368,30,220,430.475,4.316,6,0.414,0.74,1.0,0.08117161263792749,0.09103214310191214,0.22629531903228017,0.3462836680145295,0.18619568569666234
EOS-3-20517,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)ncn1,YCDOATSQUIYTCX-UHFFFAOYSA-N,3,1,0.457,2,109,431.406,3.809,5,0.418,0.68,1.0,0.7610513330135015,0.644935234048386,0.8206514289630594,0.7758806798711535,0.7506296689740252
EOS-3-20518,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(C)n2)cn1,YMXGOBPUSWOBRG-UHFFFAOYSA-N,3,1,0.483,7,85,444.886,3.888,5,0.402,0.7,1.0,0.654890000685354,0.630439997258584,0.3692515934480159,0.33989274210129533,0.49861858337331233
EOS-3-20520,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(Cc6ccncc6)n5)n34)cn2)cc1,HLEZFWKJXDGKHV-UHFFFAOYSA-N,3,1,0.314,32,20,460.476,4.435,6,0.375,0.77,1.0,0.27648893153313686,0.41456205880337194,0.6079860873140978,0.642536495099719,0.4853933931875814
EOS-3-20521,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)cn1,DSIWOQGQGDGYKO-UHFFFAOYSA-N,3,1,0.338,42,170,419.408,3.36,6,0.423,0.75,1.0,0.1426992666712357,0.12651634569255021,0.402748269481187,0.3882787334658351,0.265060653827702
EOS-3-20522,O=C(O)c1ccc(-c2nnc3cncc(-c4nncc(-c5cccc(F)c5)n4)n23)cc1,QHRNNSDWUOPPCA-UHFFFAOYSA-N,3,1,0.398,96,316,413.372,3.148,5,0.477,0.77,1.0,0.22020423548762935,0.11599616201768213,0.4570026043451443,0.44815297100952645,0.3103389932149956
EOS-3-20523,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(-c2ccc(F)nc2)n1,OFGLLZFGDKUCIR-UHFFFAOYSA-N,3,1,0.548,4,232,447.861,4.323,5,0.37,0.75,1.0,0.9099273524775546,0.9469364676855596,0.6825183332191077,0.6972106092796929,0.8091481906654787
EOS-3-20524,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)cc1F,LIIOCOXAHUMCEM-UHFFFAOYSA-N,3,1,0.5,88,503,448.408,4.287,5,0.386,0.74,1.0,0.8919882119114523,0.8166078404495922,0.915153176615722,0.917115002398739,0.8852160578438764
EOS-3-20525,N#Cc1ccccc1-c1cnnc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,MTPZUXCTMVJCDT-UHFFFAOYSA-N,3,1,0.333,38,553,453.469,4.244,6,0.389,0.73,1.0,0.20933280789527792,0.25741038996641763,0.6581539990405044,0.6653416489616887,0.4475597114659722
EOS-3-20526,COc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)cn1,PLBIGMUOKKMVAZ-UHFFFAOYSA-N,3,1,0.314,70,392,462.477,3.114,6,0.38,0.68,0.971,0.189988691659242,0.09104071002672881,0.16226612295250498,0.12256699335206635,0.14146562949763553
EOS-3-20527,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)ccn5)cnn4)n23)cc1,FRNYVGPXMNKUKQ-UHFFFAOYSA-N,3,1,0.549,34,534,450.289,4.529,5,0.389,0.73,1.0,0.6975018847234596,0.9119748475087383,0.7475241587279831,0.838299294085395,0.798825046261394
EOS-3-20528,FC(F)(F)c1ccc(-c2nnc3cncc(-n4cnc(-c5nccs5)n4)n23)cc1,KSFPPYNLKYGFEI-UHFFFAOYSA-N,3,1,0.383,22,51,414.376,3.514,5,0.449,0.81,1.0,0.07089130285792612,0.2372267150983483,0.7884226578027551,0.7270834761154136,0.45590603796861073
EOS-3-20529,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(Cl)nc5)nc4)n23)cc1,MVRBOSZIVLSKKP-UHFFFAOYSA-N,3,1,0.329,42,42,466.896,3.759,6,0.361,0.75,1.0,0.24223836611609897,0.2731820985539031,0.36926016037283255,0.41637824686450553,0.325264717976835
EOS-3-20530,N#Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)cn5)n34)cn2)c1,ZTTPTYPCGOQFHK-UHFFFAOYSA-N,3,1,0.291,70,392,454.457,3.639,6,0.391,0.68,0.999,0.18422315125762456,0.21189431841546158,0.5665821396751423,0.5604139538071414,0.38077839078884246
EOS-3-20531,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C)nn5)ncn4)n23)c(F)c1,MDVMGDDPWHIZAN-UHFFFAOYSA-N,3,1,0.411,4,463,471.456,2.424,5,0.396,0.67,1.0,0.4715578096086629,0.42361729833458983,0.25845555479405113,0.15239702556370366,0.3265069220752519
EOS-3-20532,COc1cc(-c2nnc3cncc(OCCc4ccnc(C)n4)n23)ccc1-c1nccn1C,PKWHDMCUQFYFKP-UHFFFAOYSA-N,3,1,0.495,15,771,442.483,2.92,5,0.379,0.67,1.0,0.4433726269618258,0.167372010143239,0.16227468987732163,0.07392399424302652,0.21173583030635323
EOS-3-20533,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)n1,KLIMJQWNLFGPRG-UHFFFAOYSA-N,3,1,0.317,3,973,442.83,3.137,6,0.378,0.68,1.0,0.09987320951271332,0.17156123637858955,0.13779041875128503,0.24821807963813308,0.16436073607018026
EOS-3-20534,Cc1nc(C)c(-c2nnc3cncc(OCc4cnncc4F)n23)cc1-c1ncc(F)cn1,NBGNPCRDXWJYCN-UHFFFAOYSA-N,3,1,0.448,73,775,447.409,2.907,5,0.401,0.64,1.0,0.7401137687615653,0.6212819546295661,0.3134637790418751,0.2809180316633541,0.48894438352409014
EOS-3-20536,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cc(F)cc(-c6nnnn6C)c5)n34)cc2)n1C,UGCNJIFJPPZQEW-UHFFFAOYSA-N,3,1,0.318,25,508,466.484,3.497,6,0.392,0.69,1.0,0.21753992186964566,0.2680505105887191,0.2844133369885546,0.29895997532725654,0.26724093619354394
EOS-3-20537,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)nc5)n34)cn2)c1,LWKMMQJUYGZOJP-UHFFFAOYSA-N,3,1,0.337,32,191,434.488,4.434,6,0.405,0.75,1.0,0.09050099376327873,0.1715698033034062,0.4462939483243095,0.4512199300938935,0.289896168871222
EOS-3-20538,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)c2)nc1,PITSUARGOMCLRV-UHFFFAOYSA-N,3,1,0.455,2,131,432.394,3.204,5,0.39,0.66,1.0,0.8166335412240422,0.655121307655404,0.563052566650675,0.5042063600849839,0.6347534439037763
EOS-3-20539,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cc2F)n1,VXEIEYZVPPANKI-UHFFFAOYSA-N,3,1,0.535,16,772,432.394,3.204,5,0.39,0.67,1.0,0.8320197381947776,0.7178568980878623,0.5952727708861627,0.5539973271194572,0.674786683572065
EOS-3-20540,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccnnc5)nn4)n23)cc1,QBGICGHEVILOFB-UHFFFAOYSA-N,3,1,0.307,98,620,421.428,2.229,6,0.425,0.67,1.0,0.00860119251593448,0.010357412103351381,0.21238263313001166,0.21032657117401138,0.11041695223082723
EOS-3-20541,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5cccc(F)n5)c4)n23)nc1,ZMTBGHOURMHHPX-UHFFFAOYSA-N,3,1,0.289,94,664,454.404,3.169,6,0.374,0.68,0.298,0.024150161058186553,0.1480193269823864,0.442772942224659,0.5005825508875335,0.27888124528819136
EOS-3-20542,Cc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3F)n12,DWJLLVRBGLSTKQ-UHFFFAOYSA-N,3,1,0.444,16,772,447.861,4.323,5,0.396,0.72,1.0,0.8439962990884792,0.7926975532862723,0.8032520046604071,0.7922863408950723,0.8080580494825578
EOS-3-20543,COc1ccc(-c2nnc3cncc(OCc4cc(C#N)cnn4)n23)cc1-c1ncccc1F,XFWWXNMQOXFPKE-UHFFFAOYSA-N,3,1,0.46,4,534,454.425,3.242,5,0.38,0.69,1.0,0.7037043382907272,0.717865465012679,0.6467942567336029,0.5604225207319581,0.6571966451922417
EOS-3-20544,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnnn5C)nc4)n23)nn1,LFVYYNOKIKYVIV-UHFFFAOYSA-N,3,1,0.276,99,286,438.419,0.629,6,0.38,0.64,0.669,0.07284456171612638,0.051744225892673565,0.006193886642450826,0.0045576040024672745,0.033835069563429514
EOS-3-20545,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)cn1,FGVZMVULGGTISE-UHFFFAOYSA-N,3,1,0.427,65,113,445.874,3.017,5,0.388,0.65,0.826,0.6613408950723049,0.5976029744362964,0.2730535946816531,0.2719227606058529,0.4509800561990268
EOS-3-20546,Cc1nc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)c2)cn1C,JIGNLWXKQIETOU-UHFFFAOYSA-N,3,1,0.278,86,812,437.427,2.402,6,0.404,0.64,0.789,0.17007915838530602,0.10702659173463094,0.07956103077239395,0.06313823589884175,0.10495125419779318
EOS-3-20547,Cc1ccc(-c2nnc3cncc(-c4nc(C)ncc4OCc4cccc(Cl)n4)n23)nn1,ZGYSGHBMYIBOTP-UHFFFAOYSA-N,3,1,0.274,53,587,445.874,3.283,5,0.375,0.69,0.887,0.4066719210472209,0.35779761496813106,0.13460352271948461,0.1472997052977863,0.2615931910081557
EOS-3-20548,Fc1cc(F)c(-c2nnc3cncc(OCc4cnc(-c5cnco5)nc4)n23)cc1F,LUAHHPVNMQZNEM-UHFFFAOYSA-N,3,1,0.5,73,577,425.33,3.233,5,0.396,0.69,1.0,0.9143735864574053,0.8351466657528613,0.7706377218833528,0.7457165375916661,0.8164686279213214
EOS-3-20549,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)cc3F)n12,FVMDHWRHYURIDL-UHFFFAOYSA-N,3,1,0.588,35,352,430.418,4.148,5,0.403,0.73,1.0,0.9020029470221369,0.9269583990130903,0.867700980056199,0.8645911863477486,0.8903133781097937
EOS-3-20550,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)c1,ZXCUKNYSUUWTRN-UHFFFAOYSA-N,3,1,0.467,11,503,446.873,4.662,5,0.377,0.77,1.0,0.6945719964361593,0.7585926255911178,0.7706462888081694,0.8362603659790282,0.7650178192036187
EOS-3-20551,Cc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4)n23)c1F,DMGLECKZFMTIPU-UHFFFAOYSA-N,3,1,0.451,55,109,449.396,3.948,5,0.401,0.71,1.0,0.857437804125831,0.8489222808580632,0.7706548557329861,0.7380063052566651,0.8037553114933864
EOS-3-20552,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccn4)n23)cc1F,UHYLTEUIVGZIAG-UHFFFAOYSA-N,3,1,0.54,4,817,424.399,3.233,5,0.422,0.68,1.0,0.7463076554040162,0.792706120211089,0.8171989582619423,0.7688215338222192,0.7812585669248167
EOS-3-20553,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)cn4)n23)cc1,JZTIISSAZGDXJA-UHFFFAOYSA-N,3,1,0.556,7,212,417.82,2.666,5,0.425,0.7,1.0,0.7221060927969296,0.9008635460215201,0.3209855390309095,0.3943355493112192,0.5845726817901445
EOS-3-20554,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnc5)cc4)n23)cc1,SHPUZNSKXBYHJX-UHFFFAOYSA-N,3,1,0.314,69,885,427.471,4.977,6,0.395,0.87,1.0,0.10747207182509766,0.07089986978274279,0.5534918785552738,0.6425450620245357,0.3436022205469125
EOS-3-20555,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)cc1,DVNAMALJEWWZQI-UHFFFAOYSA-N,3,1,0.462,7,408,464.449,1.871,5,0.353,0.69,1.0,0.5041035569871839,0.25741895689123434,0.2192361729833459,0.12689329038448358,0.2769129943115619
EOS-3-20556,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)sn2)n1C,WMIMYNSKDYNJKJ-UHFFFAOYSA-N,3,1,0.615,36,404,438.904,3.584,5,0.413,0.67,1.0,0.6767185251182236,0.7270149407168802,0.07312727023507641,0.14236515660338564,0.40480647316839147
EOS-3-20557,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cnccn4)n23)c(Cl)c1,BHIIGKJCRRMTCW-UHFFFAOYSA-N,3,1,0.318,42,219,467.884,3.154,6,0.384,0.69,1.0,0.12065656911794942,0.25259577821945034,0.18482283599479132,0.29281749023370574,0.2127231683914742
EOS-3-20558,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c(-c2ccnc(F)c2)n1,POBVUOCXBUXGDP-UHFFFAOYSA-N,3,1,0.271,98,213,465.456,2.948,6,0.361,0.71,1.0,0.12620793639915015,0.23217222945651428,0.13461208964430127,0.18215852237680763,0.16878769446919334
EOS-3-20559,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5csc(C)n5)n34)c(Cl)c2)no1,AFDMUTNVNYTDOX-UHFFFAOYSA-N,3,1,0.537,4,677,439.888,4.147,5,0.402,0.75,1.0,0.5190614077170859,0.64998971969022,0.18146460146665752,0.18739291343979164,0.3844771605784387
EOS-3-20560,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)nn5)n34)nc2)cc1,JCJNCCGSFOTMAB-UHFFFAOYSA-N,3,1,0.35,94,165,460.461,3.171,6,0.378,0.67,0.997,0.18146460146665752,0.09104927695154548,0.28442190391337124,0.2691042423411692,0.20651000616818588
EOS-3-20561,Cc1ncc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(C)(C)O)cn5)n34)nc2)o1,KHTNXXRGGJWBSR-UHFFFAOYSA-N,3,1,0.309,85,674,428.456,2.758,5,0.449,0.64,1.0,0.18999725858405866,0.13312144472620108,0.2584641217188678,0.09394489753957919,0.16888193064217666
EOS-3-20562,Clc1cc(-c2cncc3nnc(-c4nccnc4-c4ncccn4)n23)ccc1-c1cncnn1,WJVFBWOAUTTZHZ-UHFFFAOYSA-N,3,1,0.271,39,495,465.868,3.211,6,0.382,0.69,1.0,0.20371290521554383,0.24263244465766567,0.19130799808100885,0.3116647248303749,0.2373295181961483
EOS-3-20563,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)c1,BROMYYFSROTXPL-UHFFFAOYSA-N,3,1,0.464,54,16,417.379,3.501,5,0.432,0.73,1.0,0.7069769035706943,0.6021348776643136,0.6635768624494551,0.694554862586526,0.6668108765677473
EOS-3-20564,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nn1,AGNMPGSGNHYHCL-UHFFFAOYSA-N,3,1,0.457,87,779,446.862,2.412,5,0.383,0.66,1.0,0.5663765334795422,0.6449438009732027,0.07526900143924337,0.09804845452676307,0.3461594476046878
EOS-3-20565,Clc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc5ccccc5n4)n23)cn1,AXTZAPVKBYZCES-UHFFFAOYSA-N,3,1,0.27,39,114,437.854,3.907,6,0.41,0.68,0.977,0.17840620930710713,0.33301350147351105,0.24083339044616545,0.40666335412240423,0.289729113837297
EOS-3-20566,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,OCEPKBRTYLVJCE-UHFFFAOYSA-N,3,1,0.506,97,208,433.834,4.015,5,0.413,0.71,1.0,0.7191248029607292,0.8280703858542937,0.737389486669865,0.7785278596395038,0.765778133781098
EOS-3-20567,COc1ncc(-c2nnc3cncc(Cc4ccc(-c5nnc(C)s5)c(Cl)c4)n23)cn1,UYCGESXHKXLLQT-UHFFFAOYSA-N,3,1,0.363,85,81,450.915,3.661,5,0.399,0.68,1.0,0.35047289424988004,0.4005551367281201,0.16228325680213831,0.16832293879788912,0.2704085566445069
EOS-3-20568,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5cnn(C)c5)n4)n23)cc1,ZEEUFAJUDQOYAO-UHFFFAOYSA-N,3,1,0.337,74,333,412.417,1.403,5,0.469,0.76,1.0,0.08313343842094442,0.03132067712973751,0.0817541635254609,0.04365704886573915,0.0599663319854705
EOS-3-20569,Cc1cc(COc2cncc3nnc(-c4ncc(-c5ccccc5)c(CF)n4)n23)n(C)n1,MIZYZKBWUUCWDI-UHFFFAOYSA-N,3,1,0.387,4,662,430.447,3.339,5,0.408,0.66,1.0,0.29858303063532315,0.18029093276677405,0.11152422726338154,0.10632410389966418,0.17418057364128572
EOS-3-20570,COc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)nc1,TYUNFHBIIHUFDB-UHFFFAOYSA-N,3,1,0.658,13,15,448.845,4.842,5,0.38,0.8,1.0,0.9170293331505722,0.8612672195188815,0.8463864711123296,0.8182955246384758,0.8607446371050648
EOS-3-20571,CCn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cn1,CRWTXFKAXLSPLI-UHFFFAOYSA-N,3,1,0.469,89,398,480.532,3.541,6,0.361,0.87,1.0,0.23388561441984784,0.11017922006716468,0.1558152285655541,0.12690185730930026,0.15669548009046672
EOS-3-20572,COc1cc(-c2cc(F)ccn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,RLGOJTNXPBVCCM-UHFFFAOYSA-N,3,1,0.562,35,201,442.454,4.018,5,0.376,0.73,1.0,0.8440048660132958,0.6449523678980194,0.6879925981769583,0.6008412720169968,0.6944477760263176
EOS-3-20573,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cc1,FXCNPPPHFCTNKF-UHFFFAOYSA-N,3,1,0.357,93,651,428.459,4.372,6,0.411,0.74,1.0,0.13456068809540128,0.10030155575354671,0.49841511890891643,0.5858063189637448,0.3297709204304023
EOS-3-20574,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)cc1,BBOYPQJSPVLJTR-UHFFFAOYSA-N,3,1,0.381,32,327,428.459,4.372,6,0.411,0.74,1.0,0.16200911520800493,0.12652491261736687,0.5164227948735521,0.547426495785073,0.3380958296209992
EOS-3-20575,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)s1,GDMOWIIBWRCDND-UHFFFAOYSA-N,3,1,0.296,98,746,428.441,2.76,6,0.416,0.63,1.0,0.10256322390514701,0.1194657665684326,0.053114933863340416,0.07393256116784319,0.0872691213761908
EOS-3-20576,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)n(C)n1,BIQOTYITZDJFAF-UHFFFAOYSA-N,3,1,0.303,30,945,445.49,4.019,6,0.404,0.71,1.0,0.06884380782674251,0.051752792817490234,0.13462065656911795,0.17097011856623948,0.10654684394489755
EOS-3-20577,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnnn6C)cc5Cl)n34)cn2)n1,MDCSZMRPCRNRDK-UHFFFAOYSA-N,3,1,0.313,99,866,471.876,1.888,6,0.373,0.71,1.0,0.14522650949215268,0.2940682612569392,0.04130114454115551,0.08464978411349462,0.1413114248509355
EOS-3-20578,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)cc1,LSWIYXRKFSICKB-UHFFFAOYSA-N,3,1,0.266,30,543,430.435,3.162,6,0.415,0.64,0.922,0.06314680282365842,0.040967034473305464,0.16532451511205537,0.24246110616133232,0.1279748646425879
EOS-3-20579,Cc1nc(-c2cncc(C(F)F)c2)cc(-c2nnc3cncc(Cc4cccnn4)n23)n1,AQCCNJJFWUJBRY-UHFFFAOYSA-N,3,1,0.286,85,60,431.41,3.27,5,0.417,0.64,0.997,0.22868549105613048,0.17157837022822287,0.4742221232266466,0.4481615379343431,0.3306618806113357
EOS-3-20580,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccnn5C)nn4)n23)cc1,PKULNNZQYLXWGF-UHFFFAOYSA-N,3,1,0.363,67,622,450.466,3.175,6,0.393,0.67,1.0,0.3641457062572819,0.19314131999177575,0.2692413131382359,0.19829860873140978,0.25620673702967584
EOS-3-20581,Fc1cc(Cl)ccc1-c1nnc2cncc(Cc3ccc(-c4cccnc4)nc3)n12,HJPOPVRFYBHXJT-UHFFFAOYSA-N,3,1,0.411,14,358,416.847,4.632,5,0.427,0.86,0.999,0.4002809951339867,0.6118583373312316,0.8588513467205812,0.8947467617024193,0.6914343602220547
EOS-3-20582,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc(F)n2)nn1,JCJROSBYLVWFJI-UHFFFAOYSA-N,3,1,0.457,53,486,449.837,3.113,5,0.373,0.68,0.684,0.5091494757042012,0.5883678294839284,0.3427540949900624,0.352717428551847,0.44824720718250977
EOS-3-20583,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nnco6)c5)n34)nc2)n1C,IOSYBUHYSMYPDN-UHFFFAOYSA-N,3,1,0.25,99,719,437.427,2.402,6,0.404,0.62,0.967,0.10512473442533068,0.02377321636625317,0.08674011376876156,0.07193646768555959,0.07189363306147625
EOS-3-20584,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ncc(-c5ccc(F)cc5C)nn4)n23)c(F)c1,UAWOHDDFUKRODL-UHFFFAOYSA-N,3,1,0.394,13,374,474.431,3.382,5,0.412,0.69,1.0,0.6767270920430403,0.49460283736549926,0.5263004591871702,0.4258961003358235,0.5308816222328833
EOS-3-20585,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5nccc(F)c5Cl)n34)c2)cn1,SAZDQLMOTWMEEI-UHFFFAOYSA-N,3,1,0.523,16,394,435.85,3.958,5,0.415,0.69,1.0,0.4840569529161812,0.544745048317456,0.7683931875813858,0.7688301007470358,0.6415063223905147
EOS-3-20586,Clc1cnc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccncn5)c4)n23)nc1,NAWGZRKDKNCABH-UHFFFAOYSA-N,3,1,0.252,86,249,454.845,2.334,6,0.39,0.65,0.958,0.00547426495785073,0.055616475909807415,0.06464601466657528,0.11801795627441573,0.06093867795216229
EOS-3-20587,Fc1cncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)c2)c1,HERPUPMAIMGAAZ-UHFFFAOYSA-N,3,1,0.506,13,573,436.809,4.972,5,0.395,0.81,1.0,0.8036460832019738,0.7410561304913988,0.9391319991775752,0.9539699129600439,0.8594510314577479
EOS-3-20588,COc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cc(Cl)nn3C)n12,PJWUOGHDUZHTGB-UHFFFAOYSA-N,3,1,0.417,72,224,448.874,3.223,5,0.39,0.71,1.0,0.4316959084367076,0.4719947227743129,0.36179836885751493,0.2928260571585224,0.38957876430676447
EOS-3-20589,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)nn1,MSDDQQZUZIGUCR-UHFFFAOYSA-N,3,1,0.383,46,565,430.859,3.579,5,0.39,0.68,1.0,0.5218113905832362,0.5039493523404839,0.44984065519841,0.4355338907545747,0.4777838222191762
EOS-3-20590,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)cn4)n23)c1,YYPGJLPUGDJXPY-UHFFFAOYSA-N,3,1,0.466,18,529,419.832,3.511,5,0.411,0.77,1.0,0.6705931738743061,0.6499982866150367,0.4638818449729285,0.4820608594338976,0.5666335412240422
EOS-3-20591,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)no1,QYUPMHLWCNIQES-UHFFFAOYSA-N,3,1,0.556,4,32,420.82,3.172,5,0.422,0.74,1.0,0.6914964704269755,0.7964584332807896,0.15910492769515455,0.2245905009937633,0.4679125830991707
EOS-3-20592,Cn1cnc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5F)n34)ccn2)c1,YOBVYVHQULVYRZ-UHFFFAOYSA-N,3,1,0.506,13,110,421.823,4.172,5,0.433,0.78,1.0,0.6002929888287301,0.727023507641697,0.7662514563772188,0.7758892467959702,0.717364299910904
EOS-3-20593,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)s1,OSWIOULTNPARFS-UHFFFAOYSA-N,3,1,0.418,53,182,437.876,3.036,5,0.408,0.67,1.0,0.3388047426495785,0.4145706257281886,0.12325234733739977,0.1448238640257693,0.255362894935234
EOS-3-20594,COc1cc(-c2nnc3cncc(OCc4cnncc4F)n23)ccc1-c1ccccc1F,PTCRGRZZQJROAH-UHFFFAOYSA-N,3,1,0.494,43,521,446.417,4.114,5,0.388,0.72,1.0,0.9290572955931738,0.8385563018298952,0.8810825166198342,0.8362689329038449,0.871241261736687
EOS-3-20595,COc1nc(C)ncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)cn1,HUPGPHFVVGWBKT-UHFFFAOYSA-N,3,1,0.412,55,606,458.457,3.382,5,0.378,0.73,1.0,0.7433349324926325,0.6167843191008155,0.3544822150640806,0.19830717565622644,0.4782271605784388
EOS-3-20596,Cn1cncc1-c1cnc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1F,JBBNNLWPVSBJKU-UHFFFAOYSA-N,3,1,0.457,31,814,450.865,3.396,5,0.391,0.64,0.989,0.6706017407991227,0.5832705092180112,0.512661914879035,0.5309780001370707,0.5743780412583099
EOS-3-20597,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,XCLDQJJLUSFBMW-UHFFFAOYSA-N,3,1,0.424,92,182,431.847,2.974,5,0.387,0.66,1.0,0.5139812213008018,0.48101569460626414,0.36543074497978206,0.3462922349393462,0.42667997395654855
EOS-3-20599,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)n1,ADQILBUURNEDED-UHFFFAOYSA-N,3,1,0.524,16,772,436.838,3.353,5,0.417,0.63,1.0,0.7127253101226784,0.7178740319374958,0.5858148858885615,0.6038825303269139,0.6550741895689124
EOS-3-20600,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4cn(C5CCOC5)nn4)n23)c1,IEQJMIWUUWCPTJ-UHFFFAOYSA-N,3,1,0.309,50,974,429.419,2.607,6,0.429,0.68,0.417,0.056207593722157494,0.16738057706805565,0.05867486806935782,0.1956085943389761,0.11946790829963677
EOS-3-20601,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cc1,RYJXEGPRWSHKAH-UHFFFAOYSA-N,3,1,0.338,94,977,465.427,4.046,6,0.384,0.73,1.0,0.3550047974778973,0.45011479679254335,0.5826451237063943,0.6425536289493523,0.5075795867315469
EOS-3-20602,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCc6cccnc65)cc4)n23)cc1F,QEMABGMQTKHLCE-UHFFFAOYSA-N,3,1,0.333,62,3,479.475,3.294,6,0.422,0.75,1.0,0.23682406963196492,0.2168117332602289,0.1591134946199712,0.20721677746556097,0.20499151874443153
EOS-3-20603,COc1ccc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)cn5)c4)n23)nn1,PGYPIUFEFXGKPZ-UHFFFAOYSA-N,3,1,0.471,7,99,427.428,2.329,5,0.398,0.66,1.0,0.355013364402714,0.1802994996915907,0.12037386059899938,0.05864916729490782,0.17858397299705298
EOS-3-20604,Cc1cccc(OCc2cncc3nnc(-c4cc(F)cc(-c5nncc(C)n5)c4)n23)n1,DGFNJZBOJMHOFO-UHFFFAOYSA-N,3,1,0.379,14,351,428.431,3.373,5,0.42,0.65,1.0,0.4386094167637585,0.4720032896991296,0.33201117126996094,0.27193132753066956,0.3786388013158797
EOS-3-20605,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(C)n(C)n5)n34)c(F)c2)ns1,WGICKRXWSYXBDG-UHFFFAOYSA-N,3,1,0.488,36,677,436.476,3.378,5,0.417,0.67,1.0,0.38732780481118495,0.5083013501473511,0.13779898567610172,0.10429374271811391,0.2844304708381879
EOS-3-20606,Cc1ncc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)nn1,XKKGEIFHJNIWAK-UHFFFAOYSA-N,3,1,0.477,13,145,417.379,4.022,5,0.436,0.78,1.0,0.6975104516482763,0.6792286340895072,0.739942430265232,0.732617709546981,0.7123248063874991
EOS-3-20607,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,ZJOTXOJNTOVKIO-UHFFFAOYSA-N,3,1,0.5,15,561,431.887,3.862,5,0.379,0.72,1.0,0.6796826811047906,0.6212905215543828,0.5091666095538345,0.5143667329175519,0.5811266362826399
EOS-3-20608,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5cncc(Cl)c5)n34)c2)cn1,QIQWDZWLFLSQEY-UHFFFAOYSA-N,3,1,0.358,46,157,419.807,4.228,5,0.402,0.8,1.0,0.6887207867863752,0.7363014872181481,0.7865550681927216,0.8183040915632924,0.7574703584401343
EOS-3-20609,COc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3cnn(C)c3)n12,RAOZTWJLBLIBJK-UHFFFAOYSA-N,3,1,0.484,65,456,446.446,2.751,5,0.376,0.69,0.992,0.5321516688369543,0.4145791926530053,0.2088359262559112,0.14730827222260298,0.32571876499211844
EOS-3-20611,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)n1,VXVJFADEGMYRFB-UHFFFAOYSA-N,3,1,0.316,3,668,418.464,4.045,6,0.432,0.76,1.0,0.012182167089301624,0.034507573161537936,0.5229679254334864,0.5073932561167843,0.2692627304502776
EOS-3-20612,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,NGPQVTUJPSTKGG-UHFFFAOYSA-N,3,1,0.32,30,668,418.464,4.045,6,0.432,0.76,1.0,0.021006099650469467,0.02378178329106984,0.5665907065999589,0.5506048248920568,0.29049585360838875
EOS-3-20613,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)nc2)c(C)cn1,UDVIAMLTYDWNSL-UHFFFAOYSA-N,3,1,0.394,51,969,428.431,3.373,5,0.42,0.66,1.0,0.620151120553766,0.5497224316359399,0.3770731958056336,0.3054537043382907,0.4631001130834076
EOS-3-20614,Cc1cc(-c2cnncn2)ccc1-c1nnc2cncc(OCc3ccnc(C)c3F)n12,CDBFFHHYZJYAIM-UHFFFAOYSA-N,3,1,0.426,16,606,428.431,3.373,5,0.42,0.66,1.0,0.697519018573093,0.6021434445891303,0.5794753615242273,0.46373620725104514,0.585718507984374
EOS-3-20615,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)ccn1,PMIHZHSPTGNJHP-UHFFFAOYSA-N,3,1,0.615,97,91,432.846,4.62,5,0.377,0.78,1.0,0.9742820917003633,0.972174628195463,0.9043588513467206,0.9127201699677884,0.9408839353025839
EOS-3-20616,CCc1cnc(COc2cncc3nnc(-c4cc(-c5cn(C)nc5C)n(C)n4)n23)cn1,VUXXBYHLMLQKRZ-UHFFFAOYSA-N,3,1,0.396,31,105,430.476,2.165,5,0.403,0.67,0.89,0.03626379274895483,0.008729696388184497,0.0240045233363032,0.008464121718867795,0.01936553354807758
EOS-3-20617,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5F)cn4)n23)n1,CIHRDQXWBDYFHM-UHFFFAOYSA-N,3,1,0.291,76,387,468.431,3.384,6,0.387,0.69,1.0,0.14523507641696937,0.24264101158248236,0.38812452881913506,0.49415735727503257,0.3175394935234048
EOS-3-20619,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnccn4)n23)c(F)c1Cl,KVXAAPXNMADBCG-UHFFFAOYSA-N,3,1,0.307,39,961,422.786,3.637,5,0.41,0.72,1.0,0.3010074703584401,0.41458775957782196,0.7013570008909602,0.8011531080803235,0.5545263347268864
EOS-3-20620,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2F)nc1,VAPUWWLNPKCROQ-UHFFFAOYSA-N,3,1,0.578,73,429,449.396,3.682,5,0.391,0.66,1.0,0.9715235419093962,0.9591015009252278,0.7776283325337536,0.7758978137207868,0.871037797272291
EOS-3-20621,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c(-c2cncnc2)c1,GUABXDLTSSGMQC-UHFFFAOYSA-N,3,1,0.355,42,171,446.449,4.511,6,0.393,0.73,1.0,0.3434565828250291,0.4810242615310808,0.8261342608457268,0.8383078610102118,0.6222307415530122
EOS-3-20622,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnc(C)nc5)n34)c2)nn1,JHCZGMJNCQNSNL-UHFFFAOYSA-N,3,1,0.419,31,88,425.456,2.672,5,0.405,0.65,0.796,0.4792080734699472,0.2221917620450963,0.11459975327256527,0.07394112809265986,0.22248517922006716
EOS-3-20624,Cc1ncccc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,SPRKOMMNARRDEA-UHFFFAOYSA-N,3,1,0.573,4,534,429.871,4.184,5,0.413,0.72,1.0,0.7754437667055034,0.8861627030361181,0.6109331094510314,0.6277242820917004,0.7250659653210884
EOS-3-20625,N#Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)c1,YNNBXLOIAYQULW-UHFFFAOYSA-N,3,1,0.489,27,988,456.416,4.032,5,0.376,0.75,1.0,0.7463162223288329,0.812744157357275,0.8447673223219793,0.7829826605441711,0.7967025906380646
EOS-3-20626,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c1,ASSHTUICPSXEHJ-UHFFFAOYSA-N,3,1,0.654,84,73,445.914,4.17,5,0.39,0.76,1.0,0.48154684394489755,0.5356212733877047,0.5858234528133781,0.5573469947227743,0.5400846412171887
EOS-3-20627,FC(F)c1ccc(-c2nnc3cncc(CCc4ncc(-c5cncnn5)cn4)n23)cn1,ILKNTHPKOCIMJZ-UHFFFAOYSA-N,3,1,0.356,85,362,432.398,2.551,5,0.398,0.63,1.0,0.3757538893838668,0.37677335343705026,0.2989085737783565,0.2867007059146049,0.33453413062846965
EOS-3-20628,CCc1nc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)ccc1F,JCVJVFWRXWETCP-UHFFFAOYSA-N,3,1,0.523,73,420,446.421,3.458,5,0.391,0.71,1.0,0.6372164347885683,0.6256253855116167,0.3654393119045987,0.3302463847577274,0.4896318792406278
EOS-3-20629,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5cccnc5)n4)n23)c(F)c1,XMPBRZIWQPAFOA-UHFFFAOYSA-N,3,1,0.27,39,527,454.404,3.169,6,0.399,0.61,0.899,0.029761496813103968,0.12294393804399972,0.34276266191487903,0.45440682612569394,0.23746873072441915
EOS-3-20630,COc1cc(-c2nnc3cncc(-c4nc(COc5ccccc5)n(C)n4)n23)ccc1Cl,ZOYKOLPJRXRFNW-UHFFFAOYSA-N,3,1,0.36,61,586,447.886,3.828,5,0.39,0.74,1.0,0.35257179082996365,0.5126961825783017,0.26924988006305256,0.3147745185388253,0.3623230930025358
EOS-3-20631,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5cnccn5)n34)c(F)cn2)nn1,IAZGIMNDWZURCW-UHFFFAOYSA-N,3,1,0.391,53,62,426.375,2.023,5,0.41,0.66,0.999,0.6825440339935577,0.5497309985607566,0.37325234733739976,0.3591683229387979,0.49117392570762797
EOS-3-20632,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cccc(-c4ccnnc4)c3)n12,MTUOBQHPYJHOEB-UHFFFAOYSA-N,3,1,0.494,16,202,433.834,4.015,5,0.413,0.66,1.0,0.7725567130422863,0.7363100541429648,0.8559043245836474,0.8614471249400315,0.8065545541772325
EOS-3-20633,Fc1cc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)ncc1-c1ccncc1,LGIFKHKWRPNLAX-UHFFFAOYSA-N,3,1,0.422,7,535,450.384,3.694,5,0.386,0.7,1.0,0.5919231032828456,0.6353831128778014,0.7844647385374546,0.7192276060585292,0.6827496401891576
EOS-3-20634,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nc1,CDVJXLLNGXLOSL-UHFFFAOYSA-N,3,1,0.3,86,654,452.417,2.035,6,0.39,0.61,1.0,0.13204201219930095,0.22220032896991296,0.07313583715989308,0.11570488657391542,0.13577076622575562
EOS-3-20635,Fc1cncc(F)c1CCOc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,VJIOFHTYMHBYAR-UHFFFAOYSA-N,3,1,0.595,35,300,431.406,3.543,5,0.406,0.65,1.0,0.8710849153587829,0.7841477623192379,0.64968131039682,0.6368309231718182,0.7354362278116647
EOS-3-20636,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cncnc4)c3)n12,ACYSUCKXERHFEU-UHFFFAOYSA-N,3,1,0.705,88,222,430.418,4.148,5,0.403,0.7,1.0,0.9447262010828593,0.9511342608457268,0.890266260023302,0.8879274895483518,0.9185135528750599
EOS-3-20637,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)c(C)n1,NSWFENUTMLFLPC-UHFFFAOYSA-N,3,1,0.402,31,466,443.446,2.811,5,0.39,0.65,1.0,0.4965046946747995,0.4677797957645124,0.16865704886573915,0.14483243095058598,0.31944349256390925
EOS-3-20638,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnn(C)n6)n5)n34)cn2)n(C)n1,RLEZUGHXXDNCEU-UHFFFAOYSA-N,3,1,0.297,76,14,449.482,2.753,6,0.403,0.63,0.972,0.07891851141114385,0.06713042286340895,0.08176273045027757,0.06019121376190802,0.0720007196216846
EOS-3-20639,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(C#N)c5)ncn4)n23)cn1,QHINXVOLRSLGLT-UHFFFAOYSA-N,3,1,0.463,4,205,420.436,3.402,5,0.425,0.73,1.0,0.5948529915701459,0.6069923240353643,0.5921801110273456,0.5106829552463847,0.5761770954698101
EOS-3-20640,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnccc5Cl)ncn4)n23)nc1,QFUJKCYWEBTYAI-UHFFFAOYSA-N,3,1,0.373,33,53,460.845,1.765,5,0.395,0.66,0.743,0.4479473648139264,0.3284130628469605,0.11460832019738194,0.11089027482694812,0.2504647556713042
EOS-3-20641,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nc[nH]n5)nc4)n23)ccc1Cl,VIYBCBPNGFNEJE-UHFFFAOYSA-N,3,1,0.56,47,391,422.811,3.343,5,0.462,0.65,1.0,0.8622010143238983,0.8832756493729012,0.6688198204372559,0.6916164073744089,0.7764782228771161
EOS-3-20642,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)c1,UXDNDEJPBQSZAS-UHFFFAOYSA-N,3,1,0.516,44,130,447.861,4.057,5,0.362,0.74,1.0,0.8116047563566582,0.8050510588719073,0.6962168460009595,0.7483808512096498,0.7653133781097937
EOS-3-20643,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncn(C)n6)cn5)n34)cn2)n(C)n1,JDTTZFJTQLYYOU-UHFFFAOYSA-N,3,1,0.309,99,968,449.482,2.753,6,0.403,0.64,1.0,0.08540367349736139,0.08476972106092796,0.09152902474127887,0.06314680282365842,0.08121230553080666
EOS-3-20644,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cc1F,GJVKZXNZUJIFLU-UHFFFAOYSA-N,3,1,0.325,64,27,467.443,3.989,6,0.387,0.74,1.0,0.1727948735521897,0.257427523816051,0.5164313617983689,0.6071379617572477,0.3884479302309643
EOS-3-20645,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)s2)nc1,JKPMEGDUCMVXQU-UHFFFAOYSA-N,3,1,0.43,46,775,423.408,3.562,5,0.399,0.74,1.0,0.6673034747447056,0.45897299705297784,0.4814183400726475,0.47889966417654717,0.5216486190117195
EOS-3-20646,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncc(Cl)cn5)c4)n23)nc1,MTZLORBSDOPORG-UHFFFAOYSA-N,3,1,0.402,46,382,452.265,3.319,5,0.396,0.61,0.987,0.6548985676101706,0.7038499760126106,0.3173788636830923,0.4416763758481256,0.5294509457884998
EOS-3-20647,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cc(-c5ncc(F)cn5)nn4C)n23)c(F)c1,PSKFNLWYQJQGHM-UHFFFAOYSA-N,3,1,0.414,73,706,463.408,2.412,5,0.421,0.64,1.0,0.5218199575080529,0.40979884860530463,0.26212219861558494,0.18740148036460832,0.34528562127338763
EOS-3-20648,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccnc5F)n4)n23)cn1,TWMGQRLNSPZDRZ-UHFFFAOYSA-N,3,1,0.333,10,871,453.416,3.774,6,0.375,0.68,0.833,0.021888492906586253,0.21682030018504558,0.5297614968131039,0.6162360359125488,0.3461765814543212
EOS-3-20649,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,MEPILUDYBWHPAI-UHFFFAOYSA-N,3,1,0.5,65,349,432.875,3.257,5,0.38,0.73,1.0,0.4939003495305325,0.5039579192653005,0.5263090261119868,0.4941659241998492,0.5045833047769173
EOS-3-20650,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)c(F)c2)nc1,XVQILDOBOKZHQR-UHFFFAOYSA-N,3,1,0.622,37,141,437.435,3.605,5,0.401,0.7,1.0,0.8902576930984853,0.858106024261531,0.3881330957439518,0.42280344047700635,0.6398250633952437
EOS-3-20651,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c(F)c2)nn1,OKKAKJXHQPUXNI-UHFFFAOYSA-N,3,1,0.552,37,386,449.396,3.682,5,0.391,0.68,1.0,0.9389006922075251,0.9333064903022411,0.8281646220272771,0.8263227331916935,0.8816736344321843
EOS-3-20652,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)nc1,WCXLRVQNDSICAL-UHFFFAOYSA-N,3,1,0.511,87,699,444.43,2.808,5,0.374,0.67,1.0,0.7980176135974231,0.8385648687547118,0.25496024946885065,0.19831574258104312,0.5224646186005071
EOS-3-20653,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccoc5)cc4)n23)n1,WLRAELXYYHWVJR-UHFFFAOYSA-N,3,1,0.309,38,746,421.424,3.304,6,0.426,0.69,1.0,0.11553354807758207,0.07090843670755946,0.16866561579055583,0.23960832019738196,0.14867898019326983
EOS-3-20654,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnco5)n4)n23)cc1,YVTBJWZWEUJHCI-UHFFFAOYSA-N,3,1,0.324,38,865,421.424,3.304,6,0.426,0.69,1.0,0.12344081968336645,0.059454458227674596,0.2621307655404016,0.2510965663765335,0.17403065245699403
EOS-3-20655,COc1nc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1nccs1,AMMIEXJCDVKNJD-UHFFFAOYSA-N,3,1,0.6,49,703,448.483,4.079,5,0.371,0.74,1.0,0.6613494619971215,0.597611541361113,0.3654478788294154,0.31167329175519154,0.48402054348571033
EOS-3-20656,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c(C#N)c1,FZKJXOLNQZMMSZ-UHFFFAOYSA-N,3,1,0.667,91,309,440.442,3.219,5,0.399,0.64,1.0,0.7433434994174491,0.6840603796861079,0.679956822698924,0.6595675416352547,0.691732060859434
EOS-3-20657,Cn1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c(F)c2)n1,DPXPDZGBUADQPE-UHFFFAOYSA-N,3,1,0.482,61,451,437.385,4.456,5,0.404,0.77,1.0,0.597611541361113,0.7714344458913028,0.9278579261188403,0.8919796449866356,0.797220889589473
EOS-3-20658,Fc1cnn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)n1,JPZDBORAHQOLKN-UHFFFAOYSA-N,3,1,0.271,86,421,437.402,2.425,6,0.409,0.62,0.934,0.01990953327393599,0.10031012267836338,0.13780755260091837,0.16833150572270578,0.10658967856898088
EOS-3-20659,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cc1F,ZCOLXBUDRBHEOO-UHFFFAOYSA-N,3,1,0.44,46,160,424.399,3.233,5,0.422,0.69,1.0,0.7696867932287026,0.7038585429374272,0.7040555822082105,0.6482163662531698,0.7064543211568775
EOS-3-20660,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccn(C)n5)c4)n23)cn1,TXJOSULQIGOEHD-UHFFFAOYSA-N,3,1,0.494,4,250,415.432,3.613,5,0.436,0.81,1.0,0.5165427318209855,0.5356298403125214,0.6581625659653211,0.5540058940442739,0.5660852580357755
EOS-3-20661,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nn2)nc1,UEBRJMSVVJNWPH-UHFFFAOYSA-N,3,1,0.406,54,411,432.394,2.938,5,0.377,0.67,0.694,0.712733877047495,0.6500068535398533,0.3770817627304503,0.42281200740182306,0.5406586251799055
EOS-3-20662,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccn1,VREWLSDDILKBGV-UHFFFAOYSA-N,3,1,0.484,24,624,433.422,3.927,5,0.404,0.7,1.0,0.5976201082859297,0.45898156397779455,0.7399509971900486,0.7000034267699267,0.6241390240559249
EOS-3-20663,COc1cc(-c2nnc3cncc(OCCc4cncnn4)n23)ccc1-c1cscn1,ODZHNIQSAXTURI-UHFFFAOYSA-N,3,1,0.484,15,771,432.469,2.73,5,0.383,0.7,1.0,0.4939089164553492,0.3379566170927284,0.1558237954903708,0.11571345349873209,0.2758506956342951
EOS-3-20664,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cn1,NSUZYMMUPJFUAR-UHFFFAOYSA-N,3,1,0.489,24,786,429.871,4.184,5,0.387,0.8,1.0,0.6201596874785826,0.6840689466109245,0.4676684257418957,0.4606349804674114,0.5581330100747036
EOS-3-20665,Cc1cc(-c2nnc3cncc(OCc4cc(F)c(C)nn4)n23)cc(-c2cccnc2)n1,TVMPBQBVHVAZMA-UHFFFAOYSA-N,3,1,0.506,4,534,428.431,3.373,5,0.42,0.67,1.0,0.5115996162017682,0.48103282845589745,0.3427712288396957,0.28993043657048867,0.4063335275169625
EOS-3-20666,Cn1cc(-c2ncc(-c3nnc4cncc(OCc5ccc(F)cc5Br)n34)cn2)cn1,SWMIYPKEIVLQCW-UHFFFAOYSA-N,3,1,0.512,73,772,481.289,3.462,5,0.38,0.83,1.0,0.5165512987458022,0.5265317661572202,0.54992803783154,0.5238931533136865,0.5292260640120622
EOS-3-20667,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)nn2)cn1,UMBKARAMYRYJMO-UHFFFAOYSA-N,3,1,0.289,70,887,433.439,2.501,6,0.412,0.6,0.996,0.05792097868549106,0.04460797752038928,0.17187821259680625,0.16834007264752243,0.11068681036255225
EOS-3-20668,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)nn1,DNJZKZXPRFOIFL-UHFFFAOYSA-N,3,1,0.506,54,670,434.822,3.41,5,0.387,0.69,0.899,0.5801178808854773,0.65001542046467,0.5091751764786512,0.5733671441299432,0.5781689054896855
EOS-3-20669,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,PPMVXURNVZRSKT-UHFFFAOYSA-N,3,1,0.429,46,160,434.822,3.41,5,0.387,0.69,1.0,0.6034970187101638,0.5780875197039271,0.5329655266945378,0.5797238023439106,0.5735684668631349
EOS-3-20670,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)ccc1F,IMQKXJFFOBTGCU-UHFFFAOYSA-N,3,1,0.53,73,980,453.84,4.097,5,0.398,0.71,1.0,0.8440134329381125,0.779812898362004,0.8902748269481187,0.8893153313686519,0.8508541224042218
EOS-3-20671,COc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3nccc(-n4cccn4)n3)n12,ZUQIXKBPNGPNDT-UHFFFAOYSA-N,3,1,0.418,27,51,450.409,3.292,5,0.372,0.7,0.998,0.3550219313275307,0.2988400383798232,0.5858320197381948,0.43826673977109176,0.4194901823041601
EOS-3-20672,Cc1cnc(-c2nnc3cncc(OCc4cc(C#N)cc(-c5ccnc(F)c5)c4)n23)cn1,GQBJVZXRFNBBLI-UHFFFAOYSA-N,3,1,0.394,46,565,438.426,3.542,5,0.383,0.68,1.0,0.7221146597217463,0.6304485641834007,0.7522359673771503,0.6972191762045097,0.7005045918717017
EOS-3-20675,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccncn5)cn4)n23)cn1,CITUNTMWSCJBST-UHFFFAOYSA-N,3,1,0.43,7,535,466.465,1.904,6,0.377,0.68,1.0,0.37351792200671646,0.16357686244945516,0.028365088067987116,0.030215543828387363,0.14891885408813652
EOS-3-20676,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccn5)n4)n23)cn1,BTPVRKLVHZLAOZ-UHFFFAOYSA-N,3,1,0.417,7,535,466.465,1.904,6,0.377,0.68,1.0,0.33881330957439515,0.15591803166335413,0.015369063121102049,0.01619148790350216,0.13157297306558838
EOS-3-20677,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(F)ccc5F)c4)n23)cn1,BNSMIXSUUPNJLU-UHFFFAOYSA-N,3,1,0.523,97,137,430.418,4.414,5,0.411,0.74,1.0,0.8370742238366116,0.8166164073744089,0.8939843053937359,0.869585703515866,0.8543151600301555
EOS-3-20678,COc1cc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)ccc1-c1ncc(F)cn1,ANQASOOXDLNUBO-UHFFFAOYSA-N,3,1,0.489,4,224,444.43,3.073,5,0.39,0.64,1.0,0.7127424439723117,0.6118669042560483,0.3245922143787266,0.2134020971831951,0.46565091494757044
EOS-3-20679,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1Cl,XRTSIIBRJSCRGS-UHFFFAOYSA-N,3,1,0.456,73,379,453.293,3.868,5,0.373,0.73,1.0,0.6285210060996504,0.6118754711808649,0.5630611335754917,0.6220444109382496,0.6063755054485641
EOS-3-20680,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)nc(C)n2)cn1,GRVDSBDEFBINKW-UHFFFAOYSA-N,3,1,0.404,31,851,459.901,3.325,5,0.376,0.7,0.999,0.5246127749982866,0.5127047495031184,0.1115327941881982,0.12033959289973271,0.317297477897334
EOS-3-20681,Fc1cc(-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)ncc1-c1ccncc1,CMEGHDQBTYSXHQ-UHFFFAOYSA-N,3,1,0.277,94,165,448.425,3.301,6,0.4,0.63,0.797,0.22284284833116305,0.29884860530463986,0.5164399287231856,0.5239017202385032,0.3905082756493729
EOS-3-20682,Cn1c(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1=O,RYOXHXKVWDEICA-UHFFFAOYSA-N,3,1,0.63,91,393,458.909,3.827,5,0.384,0.71,1.0,0.6313994928380509,0.6551298745802207,0.655121307655404,0.6860136385443081,0.656916078404496
EOS-3-20683,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cccc(F)c5)nn4)n23)n(C)n1,OIUOJHNFUGMGSQ-UHFFFAOYSA-N,3,1,0.438,54,691,416.42,3.008,5,0.435,0.78,0.974,0.3781354944829004,0.4098074155301213,0.2692584469878692,0.27491261736687,0.3330284935919402
EOS-3-20684,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)ccn2)nn1,BUTZJRGPNYFVHW-UHFFFAOYSA-N,3,1,0.484,24,241,432.394,3.204,5,0.39,0.69,1.0,0.694580563360976,0.5634552121170585,0.5986567061887464,0.5239102871633199,0.5951506922075251
EOS-3-20686,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)cn2)n(C)n1,WHIDDTRDDYXHTN-UHFFFAOYSA-N,3,1,0.287,99,286,449.482,2.753,6,0.403,0.62,1.0,0.0905095606880954,0.04461654444520595,0.09153759166609554,0.07589438695086012,0.07563952093756426
EOS-3-20687,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)no2)cc1,MEJRVQADVHKKFF-UHFFFAOYSA-N,3,1,0.354,32,20,454.4,4.244,6,0.364,0.8,1.0,0.26353574121033513,0.4280121307655404,0.6170413268453157,0.6741227468987732,0.49567798642999106
EOS-3-20688,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cnc(C)nn5)c4)n23)n(C)n1,XOFOVDJYMGTZLP-UHFFFAOYSA-N,3,1,0.461,36,662,431.435,2.712,5,0.418,0.66,1.0,0.45730244671372766,0.489865327941882,0.21564663148516208,0.17097868549105613,0.333448272907957
EOS-3-20689,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(N5CCOCC5)nc4)n23)ncn1,HMHYXFDMDYHVJF-UHFFFAOYSA-N,3,1,0.385,7,986,470.497,1.792,6,0.363,0.72,1.0,0.09988177643752999,0.0013964087451168528,0.003957919265300528,0.00422349393461723,0.02736489959564115
EOS-3-20690,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)n1,QHTDJUKENHFUIG-UHFFFAOYSA-N,3,1,0.571,24,912,433.834,4.015,5,0.386,0.7,1.0,0.6429648413405524,0.6989925296415599,0.6852340483859913,0.7112946336782948,0.6846215132615997
EOS-3-20691,Cc1nn(C)cc1-n1cc(-c2cncc3nnc(-c4cncnc4-c4cnccn4)n23)nn1,RAUFMHZKFXNWQI-UHFFFAOYSA-N,3,1,0.243,86,312,437.431,1.328,6,0.396,0.62,0.991,0.0017390857377835652,0.0038294153930505106,0.020209375642519362,0.017973408265369063,0.010937821259680625
EOS-3-20692,COc1ccc(-c2nnc3cncc(OCC4(O)CCC4)n23)cc1-c1ncccc1C,RANHKQYIYHVBIX-UHFFFAOYSA-N,3,1,0.512,5,548,417.469,3.464,5,0.513,0.73,0.991,0.5948615584949627,0.3527259954766637,0.1346292234939346,0.22459906791857995,0.32670396134603524
EOS-3-20693,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccccn5)n34)cc(Cl)n2)cn1,HUULNLCYBPNAEJ-UHFFFAOYSA-N,3,1,0.63,7,486,430.859,3.579,5,0.39,0.7,1.0,0.43861798368857513,0.5727674593927764,0.3506013981221301,0.33677438146802824,0.42469030566787747
EOS-3-20694,Cn1cnc(-c2ncncc2-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,GRJMHTHGWKZTKO-UHFFFAOYSA-N,3,1,0.423,31,779,434.851,2.047,5,0.395,0.66,0.986,0.4179031594818724,0.43718730724419164,0.07084846823384278,0.09604379411966281,0.2554956822698924
EOS-3-20695,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(C#N)cs4)n23)cc1Cl,SALIJXGCMIKPPS-UHFFFAOYSA-N,3,1,0.523,36,610,449.887,3.147,5,0.401,0.7,1.0,0.43862655061339184,0.6398978822561853,0.2370639435268316,0.28670927283942155,0.4005744123089576
EOS-3-20696,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccccn1,FRBXNBGZQUYZRF-UHFFFAOYSA-N,3,1,0.627,11,777,424.464,3.878,5,0.392,0.74,1.0,0.6549071345349873,0.42802069769035705,0.45701117126996094,0.34630080186416284,0.47155995133986706
EOS-3-20697,Fc1ccnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cnn2)c1,RHDODLGYPBDNBQ-UHFFFAOYSA-N,3,1,0.402,46,915,434.822,3.41,5,0.414,0.61,1.0,0.7221232266465629,0.7714430128161195,0.5566873415118909,0.627732849016517,0.6694966074977726
EOS-3-20698,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)n1,NMODNLCQDVKYRZ-UHFFFAOYSA-N,3,1,0.473,75,263,449.837,2.847,5,0.385,0.63,1.0,0.8009732026591735,0.7798214652868206,0.23372284284833117,0.2899390034953053,0.5261141285724076
EOS-3-20699,COc1cc(-c2c[nH]nn2)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,BWYUZVBXLHIUEG-UHFFFAOYSA-N,3,1,0.297,42,369,450.466,3.048,6,0.425,0.64,0.791,0.12924062778425058,0.05946302515249126,0.29521622918237267,0.2162548831471455,0.175043691316565
EOS-3-20701,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)nc5)n34)n2)cc1,HQKFYCGZYGZYDB-UHFFFAOYSA-N,3,1,0.347,10,118,453.416,3.774,6,0.401,0.65,0.941,0.05105030498252347,0.22220889589472964,0.5597971352203414,0.6336782948392845,0.36668365773421974
EOS-3-20702,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nc(C)n2)cn1,BIPDTOGKQPQPHQ-UHFFFAOYSA-N,3,1,0.478,46,500,444.886,3.888,5,0.402,0.65,1.0,0.40449592214378727,0.4766893975738469,0.3544907819888973,0.3367829483928449,0.39311476252484406
EOS-3-20703,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)s1,YTXPSSACMODDPB-UHFFFAOYSA-N,3,1,0.5,4,43,436.888,3.641,5,0.411,0.7,1.0,0.44567712973750945,0.5218970598314029,0.2123912000548283,0.2246076348433966,0.35114325611678426
EOS-3-20704,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5Cl)n34)cn2)s1,AQMFDISHIHWUHV-UHFFFAOYSA-N,3,1,0.494,59,483,453.89,4.385,5,0.39,0.78,1.0,0.7868206428620382,0.805059625796724,0.522976492358303,0.5858148858885615,0.6751679117264067
EOS-3-20705,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cn1,FOFURWHLCLODPX-UHFFFAOYSA-N,3,1,0.429,92,69,435.398,2.893,5,0.401,0.65,1.0,0.4362535124391748,0.46354773490507845,0.4849050784730313,0.3557072853128641,0.43510340278253723
EOS-3-20707,Fc1ccc(-c2ccncc2)cc1-c1cncc2nnc(-c3ncccc3-c3cnco3)n12,MGEYFHGPEBGINZ-UHFFFAOYSA-N,3,1,0.299,41,174,435.422,4.709,6,0.396,0.77,1.0,0.29051298745802207,0.3479113837296964,0.7324463710506477,0.7611798368857515,0.5330126447810294
EOS-3-20708,Cn1nc(-c2nnc3cncc(Oc4ncccc4Cl)n23)cc1-c1cccc(F)c1F,NWENIRCQRKFYQV-UHFFFAOYSA-N,3,1,0.354,34,956,439.813,4.311,5,0.415,0.76,0.996,0.4504660407100267,0.5172366527311356,0.7613254746076349,0.8055479405112741,0.6336440271400178
EOS-3-20709,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)s4)n23)c(F)c1,LRXSKNZXSWYREN-UHFFFAOYSA-N,3,1,0.329,76,314,455.482,3.911,6,0.397,0.69,1.0,0.1927044068261257,0.3621239120005483,0.3580717565622644,0.39434411623603594,0.3268110479062436
EOS-3-20710,Cn1cc(-c2ccc(COc3cncc4nnc(-c5cc(F)ccc5F)n34)cn2)nn1,BKKSVXSHZBFLQV-UHFFFAOYSA-N,3,1,0.483,16,134,420.383,2.839,5,0.431,0.69,1.0,0.4815554108697142,0.48987389486669863,0.582653690631211,0.5733757110547598,0.5318646768555959
EOS-3-20711,Fc1cc(-c2nnc3cncc(-c4cn(-c5ccccn5)nn4)n23)c(F)cc1-c1cnccn1,LEBWEGLBYGGZRW-UHFFFAOYSA-N,3,1,0.3,10,872,454.404,3.169,6,0.399,0.64,0.904,0.015360496196285382,0.15202864779658692,0.5019532588582003,0.5604310876567747,0.30744337262696186
EOS-3-20712,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1F,OEABHXGOICJPSN-UHFFFAOYSA-N,3,1,0.551,37,589,434.41,2.882,5,0.405,0.62,1.0,0.7550716194914674,0.6840775135357412,0.4605150435199781,0.46699163868137894,0.5916639538071414
EOS-3-20713,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cn1,UEWOWKNZAJCFDY-UHFFFAOYSA-N,3,1,0.472,59,332,447.861,4.323,5,0.396,0.75,1.0,0.8062589952710575,0.7672537865807689,0.7475327256527997,0.7611884038105682,0.7705584778287986
EOS-3-20714,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)n1,UUQIMBMUMXMGIV-UHFFFAOYSA-N,3,1,0.275,76,543,432.451,3.106,6,0.418,0.64,0.962,0.05437427181139058,0.005054485641834007,0.08443561099307792,0.12691042423411691,0.06769369817010486
EOS-3-20715,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1cn(C)cn1,UNPBVQIMULOMAH-UHFFFAOYSA-N,3,1,0.5,4,248,433.497,3.544,5,0.404,0.72,1.0,0.3114419847851415,0.23218079638133096,0.20884449318072784,0.10215201151394696,0.2136548214652868
EOS-3-20716,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnc(F)cn5)n4)n23)nc1,LENQKXCACZPUMC-UHFFFAOYSA-N,3,1,0.296,76,387,450.441,3.245,6,0.402,0.64,0.99,0.09276266191487903,0.1887379206360085,0.32099410595572614,0.31168185868000825,0.22854413679665547
EOS-3-20717,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)n(C)c1C,AHAMPRZZTZKFGQ-UHFFFAOYSA-N,3,1,0.535,7,464,446.902,3.831,5,0.404,0.72,1.0,0.41335412240422176,0.48104139538071417,0.1814731683914742,0.18741004728942498,0.31581968336645877
EOS-3-20718,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(F)cc4)n23)nc1,AEXGZXZMIPZUBX-UHFFFAOYSA-N,3,1,0.31,70,543,450.441,3.245,6,0.402,0.64,1.0,0.1482592008772531,0.21190288534027826,0.35449934891371393,0.4066719210472209,0.28033333904461655
EOS-3-20719,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cn1,NOEBCLXNYSBQMV-UHFFFAOYSA-N,3,1,0.321,94,136,444.462,3.471,6,0.402,0.62,1.0,0.10257179082996368,0.08477828798574463,0.10627270235076416,0.12489719690219998,0.1046299945171681
EOS-3-20720,CCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)nn1,OVJQUZBCGZARHB-UHFFFAOYSA-N,3,1,0.394,53,587,445.874,3.228,5,0.388,0.63,0.996,0.3981563977794531,0.4589901309026112,0.16533308203687205,0.17374580220683983,0.2990563532314441
EOS-3-20721,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cc2)cn1,OJSNJSMTJYEGKB-UHFFFAOYSA-N,3,1,0.32,42,327,419.408,3.36,6,0.423,0.74,1.0,0.20097148927421013,0.1407031731889521,0.31738743060790897,0.33025495168254404,0.24732926118840382
EOS-3-20722,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)c(C#N)c5)n34)c2)cn1,KYUVNWNCKXPXPR-UHFFFAOYSA-N,3,1,0.517,59,439,455.428,4.286,5,0.39,0.75,1.0,0.8973254060722363,0.8087177026934411,0.9187855527379891,0.8866852854499349,0.8778784867384004
EOS-3-20723,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ccn(C)n5)cc4)n23)ccc1Cl,TZXSFFANTCNRIB-UHFFFAOYSA-N,3,1,0.595,43,909,430.899,4.733,5,0.403,0.81,1.0,0.6915050373517923,0.7883969570283051,0.817207525186759,0.7785364265643204,0.7689114865327942
EOS-3-20724,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)n5)ccn4)n23)cn1,SRMRRXULDZQLDF-UHFFFAOYSA-N,3,1,0.479,4,205,459.857,2.37,5,0.378,0.67,1.0,0.545053457610856,0.45899869782742786,0.20885306010554452,0.16565862517990543,0.34464096018093343
EOS-3-20725,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(C#N)cn5)n4)n23)cc1,COJZIUXNXANSLL-UHFFFAOYSA-N,3,1,0.325,98,865,457.461,2.977,6,0.391,0.65,1.0,0.13456925502021794,0.12653347954218352,0.2408419573709821,0.2571790829963676,0.18978094373243778
EOS-3-20726,Cc1ccc(COc2cncc3nnc(-c4cc(-c5nncn5C)ccc4F)n23)nn1,GBAJLHLMHLIDSF-UHFFFAOYSA-N,3,1,0.483,36,404,417.408,2.403,5,0.429,0.75,1.0,0.4915530121307655,0.5780960866287438,0.20886162703036118,0.1902285655541087,0.3671848228359948
EOS-3-20727,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)cc2)nc1,OSDRCQFBBYBZPU-UHFFFAOYSA-N,3,1,0.31,38,608,435.476,3.829,6,0.411,0.7,1.0,0.0362723596737715,0.09718319512027962,0.30251524912617367,0.317695839901309,0.18841666095538345
EOS-3-20728,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4cnc(C(F)F)cn4)n23)cnn1,UOFZYJHGALGIPB-UHFFFAOYSA-N,3,1,0.385,92,105,438.362,1.078,5,0.375,0.68,0.692,0.42031046535535604,0.2988571722294565,0.07527756836406004,0.07394969501747653,0.2170987252415873
EOS-3-20729,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nc1,XCRAKTHJWYOCAD-UHFFFAOYSA-N,3,1,0.388,93,651,429.487,4.921,6,0.398,0.83,1.0,0.20098005619902679,0.1070351586594476,0.6079946542389144,0.6277414159413337,0.3859378212596806
EOS-3-20730,Cn1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(F)cc5-n5cccn5)n34)n2)cn1,IJZRAKFUYXDQJM-UHFFFAOYSA-N,3,1,0.305,99,151,439.418,2.369,6,0.411,0.6,1.0,0.05792954561030773,0.18432595435542456,0.1686741827153725,0.2045181961483106,0.15386196970735383
EOS-3-20731,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncn(-c5ncc(F)cn5)n4)n23)cc1,SGVFFZLKVPAJNS-UHFFFAOYSA-N,3,1,0.533,36,975,432.379,0.979,5,0.414,0.64,1.0,0.38733637173600166,0.22747755465698033,0.051221643478856826,0.03433623466520458,0.17509295113426082
EOS-3-20732,Cc1ncc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)cn3)n12,SVTMSNXRBFGROO-UHFFFAOYSA-N,3,1,0.33,25,219,464.468,3.553,6,0.389,0.67,1.0,0.11264649441436501,0.22748612158179699,0.3061304913988075,0.38488623123843463,0.257787334658351
EOS-3-20733,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccc4F)n23)cn1,MFIAIJPOIMZBCN-UHFFFAOYSA-N,3,1,0.563,72,386,431.406,3.543,5,0.38,0.71,1.0,0.8686947433349325,0.8550476321019806,0.735067850044548,0.7244534301966966,0.7958159139195394
EOS-3-20734,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ncn1,XDWBHSXDIGXOGD-UHFFFAOYSA-N,3,1,0.511,46,488,434.41,3.322,5,0.404,0.67,0.959,0.6118497704064149,0.4051041738057707,0.6080032211637311,0.5637207867863752,0.547169488040573
EOS-3-20735,OCc1cccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ncn2)n1,CAMYPZJOAUGYPR-UHFFFAOYSA-N,3,1,0.398,44,488,447.405,2.993,5,0.423,0.66,0.472,0.6145740524981153,0.5039664861901172,0.7166318278390789,0.6741313138235899,0.6273259200877254
EOS-3-20736,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cnccn5)c4)n23)cn1,LXPYTRJQCSDIEJ-UHFFFAOYSA-N,3,1,0.297,86,790,432.451,3.106,6,0.418,0.63,1.0,0.09989034336234665,0.06713898978822562,0.3173959975327256,0.289947570420122,0.19359322527585499
EOS-3-20738,FC(F)c1ncc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nn4)n23)cn1,XOQJRZPYVQJWJM-UHFFFAOYSA-N,3,1,0.405,72,706,418.367,3.768,5,0.425,0.77,0.999,0.6706103077239394,0.5356384072373381,0.4916129806044822,0.4382753066959084,0.534034250565417
EOS-3-20739,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cc2)s1,TUDNGZYZCADVJZ-UHFFFAOYSA-N,3,1,0.255,64,495,449.503,4.137,6,0.395,0.71,1.0,0.07892707833596052,0.05947159207730793,0.13781611952573505,0.1763672812007402,0.11314551778493592
EOS-3-20740,Fc1cc(-c2nnc3cncc(OCc4nccc(-c5nncs5)n4)n23)ccc1Cl,KSIXUMFIKWQJPP-UHFFFAOYSA-N,3,1,0.512,73,391,440.851,3.471,5,0.409,0.7,1.0,0.8415975601398122,0.9318158453841409,0.3545079158385306,0.4575851552326777,0.6463766191487904
EOS-3-20741,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccnc(Cl)c5)nn4)n23)cc1,WYRUAWUYUNAIJZ-UHFFFAOYSA-N,3,1,0.313,98,882,455.873,2.883,6,0.372,0.67,1.0,0.013090261119868413,0.1160047289424988,0.23003049825234734,0.29283462408333905,0.1629900280995134
EOS-3-20742,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(C#N)cn5)n34)cc2F)c1,LTRFMCMDJOUGDJ-UHFFFAOYSA-N,3,1,0.489,7,815,427.403,2.572,5,0.42,0.67,1.0,0.6915136042766089,0.6694966074977726,0.5466897402508396,0.47596977588924677,0.5959174319786169
EOS-3-20743,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cn2)c1,WYNYYDOTCCCCBV-UHFFFAOYSA-N,3,1,0.345,42,723,434.488,4.434,6,0.405,0.74,1.0,0.08118017956274416,0.19314988691659243,0.46052361044479473,0.46064354739222807,0.2988743060790899
EOS-3-20744,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cccnc5)n4)n23)cc1,CWFMGHZQWPOJQG-UHFFFAOYSA-N,3,1,0.56,11,275,426.455,4.317,5,0.402,0.74,1.0,0.9239000068535399,0.934857103694058,0.6199540812829827,0.5920858748543623,0.7676992666712357
EOS-3-20745,FCc1cc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4)n23)ccn1,ZHSFRDHCYMDRFX-UHFFFAOYSA-N,3,1,0.467,24,109,431.406,3.831,5,0.404,0.73,1.0,0.7252929888287301,0.7038671098622439,0.6437958330477692,0.6008498389418134,0.6684514426701392
EOS-3-20746,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4C#N)n23)cc1,JEDXPZSWVBRJIL-UHFFFAOYSA-N,3,1,0.506,16,22,426.415,3.177,5,0.425,0.68,1.0,0.8810482489205674,0.7178825988623124,0.6989496950174765,0.6220529778630662,0.7299833801658556
EOS-3-20747,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ccn2)cn1,GXEHEEIZQSMABD-UHFFFAOYSA-N,3,1,0.5,75,454,428.431,3.107,5,0.406,0.66,1.0,0.7463247892536495,0.7038756767870605,0.33556644506887806,0.28995613734493864,0.5189307621136316
EOS-3-20749,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,ULGMXFPELKLWBN-UHFFFAOYSA-N,3,1,0.297,42,725,437.492,3.772,6,0.414,0.66,1.0,0.08778527859639504,0.0847868549105613,0.2989171407031732,0.314783085463642,0.19656808991844288
EOS-3-20750,Cc1ncc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1C,KWSFVIZVZGBWOD-UHFFFAOYSA-N,3,1,0.536,36,534,432.875,3.523,5,0.419,0.66,1.0,0.6372250017133849,0.7543348639572339,0.3917140703173189,0.397333972997053,0.5451519772462476
EOS-3-20751,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)cn4)n23)nc1,ZZJJJRJJBXKNAE-UHFFFAOYSA-N,3,1,0.444,7,828,434.37,2.345,5,0.392,0.64,1.0,0.5476064012062231,0.39538071413885273,0.4427815091494757,0.3882873003906518,0.4435139812213008
EOS-3-20752,Cc1cccc(-c2ncc(F)cc2-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)n1,ZQCHFNATCMXHSS-UHFFFAOYSA-N,3,1,0.3,76,968,464.468,3.553,6,0.389,0.68,0.175,0.1982386402576931,0.252604345144267,0.22630388595709683,0.23657562881228153,0.22843062504283462
EOS-3-20753,Cc1csc(-c2cccc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)n2)n1,OXWBOCDVBBOSMM-UHFFFAOYSA-N,3,1,0.53,1,268,430.493,3.69,5,0.439,0.72,1.0,0.5578267425125077,0.48988246179151534,0.3427797957645124,0.2631759303680351,0.4134162326091426
EOS-3-20754,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cnn2)nn1,INNGZKXQJSWBLF-UHFFFAOYSA-N,3,1,0.316,98,42,435.411,2.459,6,0.402,0.62,1.0,0.1620176821328216,0.11947433349324926,0.08674868069357823,0.09395346446439586,0.11554854019601123
EOS-3-20755,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(Cl)cn5)s4)n23)nc1,IOXNXMOCAWPDBQ-UHFFFAOYSA-N,3,1,0.388,7,128,465.886,2.431,5,0.399,0.65,0.988,0.38273593310945103,0.37182167089301627,0.07956959769721061,0.07590295387567679,0.22750753889383868
EOS-3-20756,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)n[nH]1,DKODFXPIAWORPK-UHFFFAOYSA-N,3,1,0.462,87,227,438.904,3.616,5,0.431,0.69,1.0,0.6314080597628675,0.6645277911041053,0.18148173531629086,0.21626345007196218,0.4234202590638065
EOS-3-20757,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2F)n[nH]1,ZRTRDMXTQATKOC-UHFFFAOYSA-N,3,1,0.667,59,96,450.384,3.052,5,0.425,0.71,1.0,0.9513741347405935,0.8725327256527997,0.8514923583030636,0.8263313001165101,0.8754326297032418
EOS-3-20758,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2)o1,ABXAPIFHLPCZSF-UHFFFAOYSA-N,3,1,0.512,72,250,435.394,4.061,5,0.393,0.73,1.0,0.7952676307312727,0.607000890960181,0.6907511479679255,0.557355561647591,0.6625938078267425
EOS-3-20759,FC(F)Oc1ncc(-c2ccc(-c3nnc4cncc(OCc5nccs5)n34)nc2)cn1,LGOWKYKUGXWFSS-UHFFFAOYSA-N,3,1,0.547,7,119,454.422,3.28,5,0.365,0.76,1.0,0.46669179631279556,0.5590946473853745,0.43928620382427525,0.3430196696593791,0.4520230792954561
EOS-3-20760,Fc1cnc(-c2ncccc2F)cc1COc1cncc2nnc(-c3ccccc3F)n12,FZIGWKFZFQMMQE-UHFFFAOYSA-N,3,1,0.512,59,146,434.381,4.245,5,0.412,0.7,1.0,0.8938472345966691,0.8861712699609349,0.8810910835446508,0.8893238982934686,0.8876083715989308
EOS-3-20761,Cc1cnc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)c5)cn4)n23)cn1,FCPJLMBDDPPEKP-UHFFFAOYSA-N,3,1,0.409,51,969,414.404,3.065,5,0.432,0.82,1.0,0.5605424576793914,0.5727760263175931,0.3320197381947776,0.339901309026112,0.4513098828044685
EOS-3-20762,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3nccnc3-c3cccc(F)c3)n12,QFGYORPYVYWYGE-UHFFFAOYSA-N,3,1,0.324,39,854,464.468,3.728,6,0.379,0.71,0.981,0.09512713316427936,0.18433452128024125,0.08444417791789459,0.18741861421424166,0.13783111164416423
EOS-3-20763,Cc1cccc(Cl)c1COc1cncc2nnc(-c3cc(-c4cnccc4F)ncn3)n12,IWHQQPAQYORGRF-UHFFFAOYSA-N,3,1,0.404,44,488,447.861,4.323,5,0.396,0.7,0.846,0.7313326708244808,0.6500239873894866,0.7706634226578027,0.792294907819889,0.7360787471729149
EOS-3-20764,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)nc1,UKJRDETUZUUHFG-UHFFFAOYSA-N,3,1,0.47,51,775,435.81,2.805,5,0.41,0.6,1.0,0.7191333698855459,0.6792372010143239,0.25847268864368445,0.3085463641971078,0.49134740593516557
EOS-3-20765,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccncc6)n5)n34)cc2)nn1,KUOGVMDSMZPEPS-UHFFFAOYSA-N,3,1,0.31,98,973,422.416,1.624,6,0.416,0.67,1.0,0.0031097937084504147,0.016131519429785485,0.04599581934068946,0.057184223151257624,0.030605338907545746
EOS-3-20766,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)nn1,HVTPKKUSRUBTBT-UHFFFAOYSA-N,3,1,0.391,54,564,452.812,3.549,5,0.399,0.65,0.998,0.7282914125145638,0.6742940853951066,0.6610581865533548,0.7326262764717977,0.6990674902337057
EOS-3-20767,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nc2)on1,BDJIVFQFJVYFMA-UHFFFAOYSA-N,3,1,0.333,32,515,450.437,4.413,6,0.389,0.76,1.0,0.2905215543828387,0.38605989993831813,0.5499366047563566,0.5637293537111918,0.44756185319717634
EOS-3-20768,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5F)nn4)n23)nc1,FUHHBFQEVBDWGG-UHFFFAOYSA-N,3,1,0.287,10,872,456.42,3.113,6,0.401,0.65,0.87,0.025083955863203344,0.13685662394626824,0.5329740936193544,0.5637379206360085,0.31466314851620864
EOS-3-20769,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)c2)nn1,BAUSWHDKBHZGOA-UHFFFAOYSA-N,3,1,0.468,19,159,445.433,3.851,5,0.392,0.67,0.999,0.6489102871633199,0.6070094578849976,0.6825269001439244,0.6566890548968543,0.648783925022274
EOS-3-20770,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)nc1,PHOVMNPEXFKRCL-UHFFFAOYSA-N,3,1,0.283,70,977,450.441,3.245,6,0.402,0.66,1.0,0.17280344047700638,0.21682886710986224,0.3210026728805428,0.30855493112192445,0.254797477897334
EOS-3-20771,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)n1C,MWQQVRJYVOTYME-UHFFFAOYSA-N,3,1,0.298,86,812,448.494,3.358,6,0.407,0.64,0.989,0.17539921869645672,0.06354088136522514,0.1752450140497567,0.12490576382701665,0.1347727194846138
EOS-3-20772,Cc1nn(C)cc1-c1cnnc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)c1,VGMGBSVZRCMLSG-UHFFFAOYSA-N,3,1,0.424,53,511,450.865,3.662,5,0.403,0.67,0.997,0.4456856966623261,0.4280292646151737,0.6199626482077993,0.6220615447878829,0.5289347885682955
EOS-3-20773,Cc1cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1ncnn1C,PNTGIOFXLSYYTO-UHFFFAOYSA-N,3,1,0.472,36,606,430.447,3.317,5,0.422,0.64,1.0,0.49391748338016583,0.4280378315399904,0.4130028784867384,0.30856349804674116,0.4108804228634089
EOS-3-20774,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)n1,KORUGNMFUYHYGE-UHFFFAOYSA-N,3,1,0.317,98,973,443.818,2.532,6,0.373,0.7,1.0,0.10748063874991433,0.1635854293742718,0.07314440408470975,0.14731683914741964,0.12288182783907889
EOS-3-20775,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)c(-c2cccnn2)n1,FJTCTLOWJNIJAB-UHFFFAOYSA-N,3,1,0.273,99,14,435.455,2.444,6,0.414,0.64,1.0,0.05105887190734014,0.0517613597423069,0.10909122061544788,0.10216057843876362,0.07851800767596463
EOS-3-20776,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ncccn6)n5)n34)cn2)cn1,LEACXQQXLTWENS-UHFFFAOYSA-N,3,1,0.289,86,899,437.402,2.425,6,0.382,0.63,1.0,0.023010760057569735,0.14802789390720308,0.1408059762867521,0.17934000411212392,0.12279615859091221
EOS-3-20777,Cc1cnc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)cn5)c4)n23)cn1,GTWANSNOUYSDJA-UHFFFAOYSA-N,3,1,0.474,87,858,428.431,3.107,5,0.406,0.67,1.0,0.6887293537111918,0.6256339524364334,0.3392073881159619,0.3116904256048249,0.491315279967103
EOS-3-20779,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4cc(Cl)ccc4F)n23)nc1,JHZQEIQEZASXMP-UHFFFAOYSA-N,3,1,0.346,22,844,419.851,4.355,5,0.434,0.78,1.0,0.13971797683503528,0.3578061818929477,0.7373980535946817,0.7663285587005688,0.5003126927558084
EOS-3-20780,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3F)n12,ILRSURXRSNOJGC-UHFFFAOYSA-N,3,1,0.477,73,540,451.824,4.154,5,0.396,0.71,1.0,0.9335977657460078,0.9119834144335549,0.8964258789664862,0.9013432938112536,0.9108375882393256
EOS-3-20781,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)c1,AQWBQTCEXGNXCC-UHFFFAOYSA-N,3,1,0.511,44,752,447.861,4.057,5,0.387,0.67,1.0,0.755080186416284,0.7456480021931328,0.7140189157699952,0.7534267699266671,0.7420434685765197
EOS-3-20782,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)cn4)ccn3)n12,LCHSFFGYXWDDMD-UHFFFAOYSA-N,3,1,0.478,18,181,447.861,4.057,5,0.387,0.67,1.0,0.7522359673771503,0.7085532177369611,0.6907597148927421,0.7353419916386814,0.7217227229113837
EOS-3-20783,Cc1ccc(-c2cnc(-c3nnc4cncc(-c5cc(-c6cnn(C)c6)ncn5)n34)cn2)nc1,GJSXSEVUIJXTON-UHFFFAOYSA-N,3,1,0.235,86,513,447.466,2.809,6,0.401,0.63,1.0,0.025092522788020013,0.011265506133918168,0.1653416489616887,0.13334418477143445,0.08376096566376534
EOS-3-20784,Cc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)cn5)n34)cn2)nn1,REOXBIFTGVUYHH-UHFFFAOYSA-N,3,1,0.276,70,813,447.466,2.809,6,0.401,0.63,1.0,0.03917654718662189,0.023790350215886505,0.11461688712219861,0.09605236104447948,0.06840903639229662
EOS-3-20785,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncn(C)n5)nn4)n23)c1,KVFXRLFQFRCXAF-UHFFFAOYSA-N,3,1,0.252,39,972,447.466,2.809,6,0.401,0.63,0.049,0.06492872318552532,0.014735110684668632,0.055102460420807346,0.0682612569392091,0.05075688780755261
EOS-3-20786,c1cnnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nn2)c1,DSSQYEIKTRRNFI-UHFFFAOYSA-N,3,1,0.261,99,421,433.399,1.347,6,0.393,0.61,0.983,0.07089986978274279,0.0744637105064766,0.020217942567336028,0.032185936536220955,0.04944186484819409
EOS-3-20787,Cn1cc(-c2ccc(Cl)c(COc3cncc4nnc(-c5nccn5C)n34)c2)nn1,QGYIOWUSMZTONA-UHFFFAOYSA-N,3,1,0.422,92,134,421.852,2.553,5,0.429,0.67,1.0,0.2635443081351518,0.2940768281817559,0.2263124528819135,0.25110513330135015,0.25875968062504284
EOS-3-20789,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3ccc(F)cn3)n12,UCWGLYZNPCARNS-UHFFFAOYSA-N,3,1,0.494,7,456,432.419,2.709,5,0.403,0.65,0.997,0.5041121239120006,0.4412223288328422,0.3025238160509903,0.20125419779316017,0.3622781166472483
EOS-3-20790,COc1ncc(F)cc1-c1cccc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)c1,QCDYWBJETBQDID-UHFFFAOYSA-N,3,1,0.484,4,506,445.458,3.622,5,0.394,0.71,1.0,0.42736104447947365,0.409815982454938,0.4315845384140909,0.2958844493180728,0.3911615036666438
EOS-3-20791,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccc2F)cn1,WYJQYVOTJCUFGS-UHFFFAOYSA-N,3,1,0.529,4,677,433.472,4.04,5,0.413,0.77,1.0,0.560551024604208,0.639906449181002,0.34278836268932905,0.29589301624288944,0.45978471317935715
EOS-3-20792,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nn[nH]n6)cn5)n34)s2)nc1,OIACPYCCOXFHGJ-UHFFFAOYSA-N,3,1,0.298,76,272,424.453,3.157,6,0.458,0.65,1.0,0.08541224042217806,0.16359399629908847,0.12589096018093346,0.16566719210472208,0.1351410972517305
EOS-3-20793,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cc2)cn1,BJJZHYRSEPWHGF-UHFFFAOYSA-N,3,1,0.319,38,170,443.474,4.076,6,0.401,0.68,1.0,0.08118874648756083,0.10704372558426427,0.43159310533890755,0.3943526831608526,0.2535445651428963
EOS-3-20794,COc1cc(C(F)F)ccc1-c1nnc2cncc(-c3nncnc3-c3ccccc3)n12,KZANNFWCXHPZSA-UHFFFAOYSA-N,3,1,0.372,96,697,431.406,4.257,5,0.411,0.73,0.751,0.40668048797203754,0.3527345624014804,0.7751610581865533,0.7353505585634981,0.5674816667808924
EOS-3-20795,Fc1ccnc(-c2ncccc2-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,HWGIJECYMRKRLA-UHFFFAOYSA-N,3,1,0.506,7,94,434.822,3.41,5,0.414,0.66,1.0,0.5919316702076622,0.6792457679391406,0.45361010211774383,0.517510794325269,0.5605745836474539
EOS-3-20796,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cnc1Cl,AHGVKESEOKCWTN-UHFFFAOYSA-N,3,1,0.466,55,242,434.822,3.41,5,0.387,0.7,1.0,0.8732009457884997,0.8280789527791104,0.569940374203276,0.5669248166678089,0.7095362723596739
EOS-3-20797,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cs1,PDDPLOMIGRYIHR-UHFFFAOYSA-N,3,1,0.489,58,579,450.915,3.683,5,0.386,0.73,0.999,0.583116304571311,0.7672623535055856,0.14081454321156878,0.1629000753889384,0.413523319169351
EOS-3-20798,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)c5)n34)cn2)nc1,AJPIMPPYGOBUPN-UHFFFAOYSA-N,3,1,0.282,42,339,419.408,3.36,6,0.423,0.72,1.0,0.1814731683914742,0.1265420464670002,0.2621393324652183,0.2719398944554863,0.21052361044479473
EOS-3-20799,COc1cc(-c2ncnn2C)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,VERICACAEUTLKN-UHFFFAOYSA-N,3,1,0.516,15,771,446.446,2.751,5,0.376,0.67,1.0,0.5190699746419025,0.41919676512918924,0.37709032965526695,0.27194846138030293,0.3968263827016654
EOS-3-20800,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)nn1,IHKWADRVNMEVDF-UHFFFAOYSA-N,3,1,0.304,86,790,433.439,2.501,6,0.412,0.64,0.999,0.04214070317318895,0.028553560413953807,0.16868274964018914,0.16054417106435473,0.09998029607292166
EOS-3-20801,Fc1cccnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,ZEPLFQVAWALZME-UHFFFAOYSA-N,3,1,0.484,72,132,447.861,4.057,5,0.387,0.7,1.0,0.8510468782125968,0.8550561990267973,0.5566959084367076,0.6336868617641012,0.7241214618600507
EOS-3-20802,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cnccc5F)cc4F)n23)n1,CQLWPAWDDRABRN-UHFFFAOYSA-N,3,1,0.536,4,92,430.418,4.414,5,0.411,0.79,1.0,0.7550887533411007,0.7884055239531218,0.8544479473648139,0.8263398670413269,0.8060705229250908
EOS-3-20803,COc1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1cncs1,XIDOILWCDZRUQD-UHFFFAOYSA-N,3,1,0.478,15,83,433.497,3.544,5,0.404,0.68,1.0,0.23683263655678158,0.26805907751353575,0.2549688163936673,0.1333527516962511,0.2233033205400589
EOS-3-20804,Cc1ccnc(-c2nccc(-c3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)n2)c1,HTTSALDTFZYZLL-UHFFFAOYSA-N,3,1,0.233,86,874,445.45,2.866,6,0.399,0.61,0.987,0.07090843670755946,0.08138578575834418,0.12038242752381605,0.11572202042354876,0.09709966760331712
EOS-3-20805,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)nc1,ZCGJCPPEJNTBBG-UHFFFAOYSA-N,3,1,0.347,42,608,463.892,4.421,6,0.378,0.76,1.0,0.2849102186279213,0.35274312932629703,0.44984922212322664,0.48811767527928174,0.3939050613391817
EOS-3-20806,N#Cc1ccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccccc5F)n34)c2)cn1,CIZPUZNQOCFTRB-UHFFFAOYSA-N,3,1,0.506,57,709,440.413,4.582,5,0.397,0.77,1.0,0.9263844150503735,0.9008721129463367,0.9536186690425604,0.9488040572955931,0.932419813583716
EOS-3-20807,COc1cc(-c2cc(C)nnc2C)ccc1Oc1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,DNOVNSVOAGBIKI-UHFFFAOYSA-N,3,1,0.368,82,374,468.477,3.16,5,0.397,0.7,1.0,0.40668905489685425,0.14803646083201974,0.22632101980673017,0.09009834829689535,0.21778622095812486
EOS-3-20808,CCn1nc(-c2ccoc2)nc1-c1cncc2nnc(-c3ccc(-c4ccno4)nc3)n12,SMBZGNHUGIUJKV-UHFFFAOYSA-N,3,1,0.295,86,899,425.412,3.38,6,0.408,0.69,0.999,0.08119731341237749,0.09415050373517922,0.038448358577205126,0.05290076074292372,0.06667423411692139
EOS-3-20809,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)nc(F)c4)n23)nc1,XXHJULKWAJGRRU-UHFFFAOYSA-N,3,1,0.466,18,578,434.41,2.882,5,0.379,0.68,1.0,0.7868292097868549,0.5400932081420053,0.46389041189774516,0.41324275238160507,0.5510138955520526
EOS-3-20810,COc1cc(-c2nsc(C)n2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,MMGPYJNTUFMCEN-UHFFFAOYSA-N,3,1,0.583,15,604,445.508,3.643,5,0.374,0.75,1.0,0.35745493797546435,0.2070797066684943,0.19827290795695976,0.12491433075183332,0.22193047083818793
EOS-3-20811,CCC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NCC(F)F)cn4)n23)cn1,UETPZSWFLUFAIV-UHFFFAOYSA-N,3,1,0.34,68,364,474.422,3.064,4,0.391,0.69,0.977,0.20098862312384347,0.23218936330614762,0.5499451716811733,0.35571585223768076,0.33470975258721125
EOS-3-20812,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)nn1,ODGKTSSSVMRDKD-UHFFFAOYSA-N,3,1,0.447,53,785,429.419,2.502,5,0.401,0.64,1.0,0.5831248714961278,0.49936604756356656,0.27306216160646973,0.2571876499211843,0.40318518264683706
EOS-3-20813,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)nn1,YOSAYMNIUNIUFW-UHFFFAOYSA-N,3,1,0.432,53,785,429.419,2.502,5,0.401,0.64,0.994,0.5773764649441436,0.4993746144883833,0.26569460626413544,0.260108971283668,0.4006386642450826
EOS-3-20814,Cn1nc(-c2nnc3cncc(OCCc4cncnc4F)n23)cc1-c1ccc(C#N)nc1,BXAMLQFNUJMMFV-UHFFFAOYSA-N,3,1,0.424,31,569,442.418,2.009,5,0.362,0.69,0.998,0.44795593173874304,0.3953892810636694,0.2882170516071551,0.26318449729285176,0.34868669042560485
EOS-3-20815,N#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)c(F)c4)n23)cn1,XVBCXJGWSGEYSY-UHFFFAOYSA-N,3,1,0.5,73,716,442.389,3.372,5,0.407,0.67,1.0,0.8320283051195942,0.8280875197039271,0.8206599958878761,0.8055565074360908,0.821583082036872
EOS-3-20816,CCn1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,OZMZFBGNKZDAEI-UHFFFAOYSA-N,3,1,0.495,89,926,441.455,2.143,5,0.405,0.63,0.982,0.34827119457199646,0.1297889109725173,0.09861387156466316,0.046347063258172845,0.15575526009183743
EOS-3-20817,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)nnc1Cl,GZAXLKDUQURZEQ-UHFFFAOYSA-N,3,1,0.412,53,873,449.837,2.847,5,0.385,0.62,0.987,0.6063155369748475,0.5883763964087451,0.2515163456925502,0.34959050099376326,0.4489496950174765
EOS-3-20818,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5csnn5)cnn4)n23)cn1,KRQCIGIPSGCCBK-UHFFFAOYSA-N,3,1,0.427,92,587,446.456,1.433,5,0.406,0.62,1.0,0.2504026454663834,0.1803080666164074,0.03981049962305531,0.018547392228085807,0.12226715098348298
EOS-3-20819,Cc1nc(-c2cnnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)c2)n(C)n1,LHZDZGQYJLQPMV-UHFFFAOYSA-N,3,1,0.291,39,972,465.456,2.948,6,0.386,0.66,0.661,0.08779384552121171,0.16360256322390515,0.09154615859091221,0.14732540607223632,0.12256699335206635
EOS-3-20820,Cc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(C)cn6)cc5)n34)n2)cc1,VYSTVOIHMNTNNB-UHFFFAOYSA-N,3,1,0.292,3,289,444.502,4.718,6,0.391,0.74,1.0,0.026334726886436843,0.055625042834624085,0.46767699266671237,0.44168494277294224,0.24783042629017887
EOS-3-20821,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cn1,ADMPAHNGKBEAHP-UHFFFAOYSA-N,3,1,0.41,7,535,466.465,1.904,6,0.377,0.69,1.0,0.33653450757316156,0.17608457268179015,0.03568980878623809,0.03873963402097183,0.1467621307655404
EOS-3-20822,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cn2)cn1,NNZYOSKUBLYERX-UHFFFAOYSA-N,3,1,0.441,55,468,434.41,3.322,5,0.378,0.71,1.0,0.4840655198409979,0.4720118566239463,0.5535004454800905,0.4789082311013639,0.49712151326159965
EOS-3-20823,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(C)nc4-c4ccc(Cl)c(F)c4)n23)cc1F,FECALBFJUBIAFJ-UHFFFAOYSA-N,3,1,0.356,45,648,479.878,4.15,5,0.418,0.78,1.0,0.30362894935234047,0.4236258652594065,0.8116475909807416,0.8055650743609074,0.586116869988349
EOS-3-20824,c1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncnn6)nn5)n34)cc2)nc1,LWADCWSRGLCPJO-UHFFFAOYSA-N,3,1,0.347,98,608,420.4,1.681,6,0.414,0.68,1.0,0.001747652662600233,0.009337948050167912,0.07957816462202728,0.10430230964293058,0.0487415187444315
EOS-3-20825,Cc1ccc(-c2ncc(F)nn2)cc1-c1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,BZFKIQQLZAIBFS-UHFFFAOYSA-N,3,1,0.404,45,316,435.825,4.55,5,0.413,0.72,1.0,0.4667003632376122,0.6070180248098143,0.8620468096771983,0.8919882119114523,0.7069383524090193
EOS-3-20826,Cc1cc(-c2cncc(CO)c2)ccc1-c1nnc2cncc(OCc3nnnn3C)n12,KWHCUNGQMNGWPF-UHFFFAOYSA-N,3,1,0.421,36,895,429.444,1.757,5,0.429,0.69,1.0,0.38497190048660135,0.2680676444383524,0.12326091426221643,0.11335754917414845,0.22241450209032965
EOS-3-20827,Cn1cc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cn1,TWUGJKIZDHTWNS-UHFFFAOYSA-N,3,1,0.306,70,813,433.439,2.501,6,0.412,0.62,0.995,0.029770063737920637,0.011274073058734837,0.11462545404701528,0.14016345692550203,0.0739582619422932
EOS-3-20828,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnc(C)nc5)c(F)c4)n23)n1,VRVSKIZNPJDLJS-UHFFFAOYSA-N,3,1,0.562,4,716,433.472,4.04,5,0.413,0.76,1.0,0.6003015557535467,0.6596446439586047,0.3844750188472346,0.3207970666849428,0.4913045713110822
EOS-3-20829,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cc(-c4cncc(F)c4)cc(F)c3F)n12,AAICLGPLFGLXLZ-UHFFFAOYSA-N,3,1,0.356,96,648,460.419,4.345,5,0.43,0.68,1.0,0.2932458364745391,0.34791995065451303,0.9244996915907066,0.9024484271126036,0.6170284764580906
EOS-3-20830,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4nccc(C5CCCC5)n4)n23)cn1,PWXPUWJKTCCBSF-UHFFFAOYSA-N,3,1,0.387,82,800,438.47,4.502,6,0.408,0.76,1.0,0.3167192104722089,0.34792851757932974,0.037000548283188266,0.19023713247892537,0.22297135220341305
EOS-3-20831,Fc1cc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)ccc1-c1nc[nH]n1,WFSWOVLEKDATFV-UHFFFAOYSA-N,3,1,0.302,30,498,436.414,3.234,6,0.447,0.6,1.0,0.25041121239120007,0.2731906654787198,0.3096857651977246,0.42590466726064014,0.3147980775820711
EOS-3-20832,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cn1,CBRNUWAGFVZVLZ-UHFFFAOYSA-N,3,1,0.477,16,969,447.861,4.323,5,0.396,0.71,1.0,0.8416061270646289,0.7841563292440545,0.8094630251524912,0.7829912274689877,0.8045541772325406
EOS-3-20833,Cc1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)cc1-c1cccnn1,MMSAFVWUVUMPQS-UHFFFAOYSA-N,3,1,0.5,16,980,447.861,4.323,5,0.396,0.71,1.0,0.8664673428825989,0.8127527242820917,0.7905729559317387,0.787574532245905,0.8143418888355836
EOS-3-20834,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)c(F)c5)n34)nc2)cn1,ZIXZTWRSBZRBHE-UHFFFAOYSA-N,3,1,0.338,94,170,449.453,3.85,6,0.403,0.66,1.0,0.16202624905763827,0.24770406414913304,0.7064114865327942,0.6741398807484066,0.447570420121993
EOS-3-20835,Fc1cc(-c2cccnn2)ccc1Cc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,NUXLSXICRDOZAS-UHFFFAOYSA-N,3,1,0.524,14,319,448.408,4.58,5,0.378,0.76,1.0,0.8574463710506477,0.9032879857446371,0.9550836131862107,0.9443064217668425,0.9150310979370845
EOS-3-20836,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)c(F)cc1F,VQDBETNVAKKJBC-UHFFFAOYSA-N,3,1,0.472,4,22,419.395,3.742,5,0.466,0.75,1.0,0.6733945582893565,0.6118840381056816,0.682535467068741,0.6277499828661504,0.6488910115824824
EOS-3-20837,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(C)nn5)nc4F)n23)cn1,RUFHBGRTWPUWBB-UHFFFAOYSA-N,3,1,0.398,58,374,430.403,3.287,5,0.388,0.69,0.993,0.6579055582208211,0.6596532108834213,0.3355750119936947,0.2218490850524296,0.4687457165375917
EOS-3-20838,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)nc2)n1C,KHIPKNJDOZOUNK-UHFFFAOYSA-N,3,1,0.257,99,652,450.47,2.148,6,0.396,0.62,1.0,0.13457782194503462,0.07780481118497704,0.0427660886848057,0.03540710026728806,0.07263895552052635
EOS-3-20839,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nc2C)n(C)n1,YAQVDPJLXNOYKD-UHFFFAOYSA-N,3,1,0.494,31,690,426.484,3.22,5,0.411,0.73,1.0,0.36415427318209853,0.1480450277568364,0.15290247412788704,0.09805702145157974,0.19078969912960042
EOS-3-20840,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5conn5)cn4)n23)cc1,BBNWUCNKJDZVHQ-UHFFFAOYSA-N,3,1,0.31,10,543,438.386,2.894,6,0.404,0.64,0.999,0.20099719004866012,0.2477126310739497,0.2657031731889521,0.3689346172297992,0.2708369028853403
EOS-3-20841,Fc1cccc(Cc2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,KJWUARGVGGAYKZ-UHFFFAOYSA-N,3,1,0.585,97,232,446.873,4.544,5,0.356,0.8,0.991,0.8750942361729833,0.9469450346103763,0.847971352203413,0.8562727023507641,0.8815708313343842
EOS-3-20842,Fc1cccc(-c2nnccc2-c2nnc3cncc(-c4nnn(-c5ncccn5)n4)n23)c1,ZRYSYKTUEVYTBR-UHFFFAOYSA-N,3,1,0.341,10,952,438.39,1.82,6,0.4,0.6,1.0,0.0038208484682338427,0.12655061339181686,0.03569837571105476,0.0920773079295456,0.06453678637516277
EOS-3-20843,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,BFDXNRQXYGAOAQ-UHFFFAOYSA-N,3,1,0.524,16,19,433.834,4.015,5,0.386,0.72,1.0,0.9471506408059763,0.8964772805153862,0.8154684394489754,0.8075011993694743,0.866649390034953
EOS-3-20844,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cnc1Cl,BOVSASLESLALSU-UHFFFAOYSA-N,3,1,0.557,97,300,433.834,4.015,5,0.386,0.72,1.0,0.9575166198341444,0.8642142416558152,0.7565793982592008,0.7404907134534987,0.8297002433006647
EOS-3-20845,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)nc1,MCXBMQXLNYUWIT-UHFFFAOYSA-N,3,1,0.489,87,930,448.849,3.452,5,0.364,0.7,1.0,0.8462151326159961,0.8964858474402029,0.3770988965800836,0.4259132341854568,0.6364282777054349
EOS-3-20846,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,VMOBDJJVHWMXPX-UHFFFAOYSA-N,3,1,0.542,36,534,419.836,2.609,5,0.427,0.68,1.0,0.47156637653347955,0.7317010485915976,0.2917037900075389,0.3527259954766637,0.46192430265232
EOS-3-20847,Fc1ccc(Cl)c(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cn4)n23)c1,JOPMLPQNAVCBIT-UHFFFAOYSA-N,3,1,0.368,45,140,438.253,4.756,5,0.404,0.74,0.942,0.3087776711671578,0.5265403330820368,0.8574463710506477,0.9214070317318895,0.6535428517579329
EOS-3-20848,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc(-c2ncc(F)nn2)n1,HWHDVHBDIRFYTP-UHFFFAOYSA-N,3,1,0.389,46,128,450.825,2.508,5,0.393,0.6,0.902,0.5718850661366596,0.664536358028922,0.10909978754026455,0.1578455897471044,0.3758417003632376
EOS-3-20849,Fc1ccsc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cn1,KRUFAVDWIGMLPY-UHFFFAOYSA-N,3,1,0.435,51,196,439.863,4.076,5,0.407,0.74,1.0,0.7610598999383181,0.8316170927283942,0.4536186690425605,0.5208004934548695,0.6417740387910356
EOS-3-20850,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)s4)n23)ccc1Cl,KJAATFVKJMCXDZ-UHFFFAOYSA-N,3,1,0.541,4,391,439.863,4.076,5,0.407,0.74,1.0,0.6945891302857926,0.8782468645055171,0.5397847988486053,0.62487149612775,0.6843730724419164
EOS-3-20852,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)cc1,RVMOCSCVKFACKR-UHFFFAOYSA-N,3,1,0.338,38,725,449.453,3.85,6,0.403,0.67,1.0,0.17008772531012267,0.2321979302309643,0.5665992735247756,0.5273541909396203,0.37405978000137075
EOS-3-20853,Fc1cccc(-c2cnc(-c3nnc4cncc(Cc5ccc(C(F)F)nn5)n34)cn2)n1,UGXRVEKDNITCSD-UHFFFAOYSA-N,3,1,0.312,85,60,435.373,3.101,5,0.388,0.63,1.0,0.29591871701733946,0.30390309094647383,0.5055256665067507,0.5005911178123501,0.40148464807072853
EOS-3-20854,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ccc2F)cn1,CUKBSLJRXFVDKU-UHFFFAOYSA-N,3,1,0.553,35,426,433.472,3.774,5,0.402,0.71,1.0,0.8062675621958741,0.8243951751079432,0.4027568364060037,0.37538551161675004,0.6022012713316428
EOS-3-20855,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cnc(Cl)cn5)n4)n23)cc1,TWKCYEYLKQVFBQ-UHFFFAOYSA-N,3,1,0.321,98,890,456.861,2.278,6,0.392,0.64,1.0,0.006390925913234186,0.1520372147214036,0.07753923651566035,0.1269189911589336,0.09072159207730793
EOS-3-20856,CNC(=O)c1cc(COc2cncc3nnc(-c4cc(-c5cnc(C)cn5)cnn4)n23)ccn1,DFUUAEHZLIOHDL-UHFFFAOYSA-N,3,1,0.356,7,828,454.454,1.68,5,0.402,0.61,0.993,0.35503049825234734,0.06714755671304229,0.0752861352888767,0.03116647248303749,0.13215766568432596
EOS-3-20857,COc1ccccc1-c1ncoc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3F)n12,QISWLTNLLXRUMS-UHFFFAOYSA-N,3,1,0.362,62,302,470.464,4.153,6,0.397,0.79,0.999,0.4066976218216709,0.39539784798848604,0.3355835789185114,0.3557244191624974,0.3733508669727915
EOS-3-20858,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ncc(-c5cncnc5)cn4)n23)cn1,JZFZMKIQMRAFLH-UHFFFAOYSA-N,3,1,0.284,94,165,448.425,3.301,6,0.374,0.68,0.999,0.22869405798094716,0.3192464532931259,0.3844835857720513,0.4163868137893222,0.3372027277088616
EOS-3-20859,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnc(C)nc5)nc4)n23)ccn1,ZCNVPKAQSLABIU-UHFFFAOYSA-N,3,1,0.527,65,282,424.468,3.277,5,0.409,0.73,1.0,0.6734031252141731,0.540101775066822,0.2952247961071894,0.18742718113905832,0.42403921938181066
EOS-3-20860,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)c2)cn1,BVQGXLYHLZZVAK-UHFFFAOYSA-N,3,1,0.411,46,157,435.369,3.64,5,0.389,0.68,1.0,0.7550973202659174,0.6840860804605579,0.8544565142896305,0.8302892193818107,0.7809822835994791
EOS-3-20861,Fc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)cn1,MDDWTFBTXVUHFN-UHFFFAOYSA-N,3,1,0.605,35,494,431.406,3.543,5,0.38,0.72,1.0,0.9595469810156946,0.9433554931121925,0.7684017545062024,0.7353591254883147,0.8516658385306011
EOS-3-20862,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)cc4F)n23)cc1F,CQEGBRUWLVIWEZ-UHFFFAOYSA-N,3,1,0.33,96,648,477.862,4.207,5,0.389,0.81,1.0,0.40670618874648756,0.40511274073058734,0.8318226989239943,0.8120588033719416,0.6139251079432526
EOS-3-20863,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)ncn2)nn1,JWTOQABHPDIDFE-UHFFFAOYSA-N,3,1,0.303,98,882,448.454,2.204,6,0.394,0.61,1.0,0.04067575902953876,0.026137687615653486,0.053123500788157085,0.04912274689877322,0.042264923583030634
EOS-3-20864,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncn5)n34)cc2F)s1,NJXISUFQGVIIPZ-UHFFFAOYSA-N,3,1,0.523,37,563,434.46,3.169,5,0.401,0.68,1.0,0.7670738811596189,0.7456565691179494,0.18800116510177506,0.187435748063875,0.47204184086080464
EOS-3-20865,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccncn5)n4)n23)cn1,MJEBKKYJKMFALH-UHFFFAOYSA-N,3,1,0.545,27,69,450.384,3.636,5,0.4,0.67,1.0,0.7342111575628812,0.7714515797409361,0.8718473716674663,0.7139246795970119,0.7728586971420739
EOS-3-20866,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1,NRCATCPRNALJEU-UHFFFAOYSA-N,3,1,0.444,55,282,431.847,2.974,5,0.413,0.63,1.0,0.5116081831265848,0.6304571311082174,0.26214789939003497,0.2451596874785827,0.412343225275855
EOS-3-20867,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)nc1,BRTQYLMXTDBDGU-UHFFFAOYSA-N,3,1,0.307,10,195,451.881,4.149,6,0.397,0.7,0.709,0.033590912206154476,0.1559265985881708,0.41301144541155504,0.4941744911246659,0.27417586183263654
EOS-3-20868,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)c1,DLDFQFGOMAVWHX-UHFFFAOYSA-N,3,1,0.39,30,757,446.449,4.511,6,0.393,0.71,1.0,0.25813001165101773,0.3954064149133027,0.4570197381947776,0.5573641285724077,0.41698007333287646
EOS-3-20869,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)c1,ULCBADKIOMVSJF-UHFFFAOYSA-N,3,1,0.353,3,615,467.443,3.989,6,0.387,0.73,1.0,0.2715629497635529,0.3814937290110342,0.6313566582139675,0.7000119936947433,0.4961063326708245
EOS-3-20870,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)nc1,KRAOTQBKGBVYLQ-UHFFFAOYSA-N,3,1,0.295,39,449,467.443,3.989,6,0.387,0.73,0.995,0.2635528750599685,0.33796518401754505,0.5091837434034678,0.5637464875608251,0.4186120725104516
EOS-3-20871,COc1ncc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)cc1-c1ccccn1,CWGCQUKSGDKQNX-UHFFFAOYSA-N,3,1,0.435,2,980,447.405,3.509,5,0.39,0.69,1.0,0.772565279967103,0.62564251936125,0.6496898773216366,0.5573726954972243,0.6513175930368035
EOS-3-20873,Fc1ccc(C(F)COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,VKWQEZOVZPYDJP-UHFFFAOYSA-N,3,1,0.505,65,324,432.394,3.267,5,0.403,0.66,1.0,0.8295867315468439,0.8861798368857515,0.6962254129257761,0.6192944280720992,0.7578216023576178
EOS-3-20874,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncnc4)n23)c(F)c1,GCAQPCMIWRFHBV-UHFFFAOYSA-N,3,1,0.528,26,361,430.447,3.225,5,0.391,0.67,1.0,0.7191419368103625,0.6212990884791995,0.4392947707490919,0.38185353985333426,0.540397333972997
EOS-3-20875,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,AJCHUEJFHYSFDH-UHFFFAOYSA-N,3,1,0.324,38,57,430.475,4.316,6,0.414,0.71,1.0,0.12066513604276609,0.06715612363785896,0.46389897882256187,0.45122849701871015,0.2757371838804743
EOS-3-20876,Cn1cncc1-c1nccnc1-c1nnc2cncc(-c3cnc(F)c(-c4cncnc4)n3)n12,IAUMGPKISCXODC-UHFFFAOYSA-N,3,1,0.239,86,953,452.417,2.035,6,0.39,0.63,0.729,0.0927712288396957,0.1931584538414091,0.08445274484271126,0.10854293742718114,0.1197313412377493
EOS-3-20877,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nc4)cc3)n12,VHRLKOGTEWAJEK-UHFFFAOYSA-N,3,1,0.397,93,774,448.465,4.455,6,0.37,0.77,1.0,0.14826776780206977,0.27319923240353644,0.45702830511959425,0.5374117606743883,0.3539767664998972
EOS-3-20878,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)n2)nc1,PKLIEBWGADGZOY-UHFFFAOYSA-N,3,1,0.541,65,262,432.394,2.938,5,0.377,0.7,1.0,0.8864882461791516,0.8518950037694469,0.38814166266876843,0.3914827633472689,0.6295019189911589
EOS-3-20879,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnnc(C)c5)n4)n23)c(F)c1,CWABTEPDLTUSNJ-UHFFFAOYSA-N,3,1,0.452,4,534,445.433,4.117,5,0.402,0.71,1.0,0.6229353711191831,0.7270320745665136,0.6907682818175588,0.6455177849359194,0.6715633781097937
EOS-3-20880,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cnn2)n1C,DVFBZNIKDCKTNS-UHFFFAOYSA-N,3,1,0.379,53,915,433.863,2.918,5,0.416,0.63,0.998,0.5091580426290179,0.49461140429031597,0.19828147488177644,0.21033513809882803,0.3530965149749846
EOS-3-20881,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)c1,FWWPWTOTVPMRNC-UHFFFAOYSA-N,3,1,0.478,7,211,423.44,2.915,5,0.409,0.69,1.0,0.33161709272839424,0.13313001165101776,0.3955177849359194,0.28996470426975535,0.2875573983962717
EOS-3-20882,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1F,UQXVQULXDMDFAY-UHFFFAOYSA-N,3,1,0.565,35,353,433.422,3.487,5,0.408,0.65,1.0,0.8771845658282503,0.8127612912069083,0.6962339798505929,0.6653502158865053,0.7628825131930642
EOS-3-20883,NC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5cc(F)ccc5F)s4)n23)cn1,VSKCVKQPKDSXTM-UHFFFAOYSA-N,3,1,0.478,4,534,466.433,2.661,5,0.404,0.69,1.0,0.43626207936399153,0.4371958741690083,0.2016739771091769,0.23365430744979782,0.32719655952299365
EOS-3-20884,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,OHGOBZWRHDYLNP-UHFFFAOYSA-N,3,1,0.467,36,728,420.824,2.004,5,0.42,0.71,1.0,0.35048146117469675,0.512713316427935,0.08930162428894524,0.13785895414981839,0.27258883901034886
EOS-3-20885,Cc1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1ccc(F)cc1,MOMUBGQUBJKGBR-UHFFFAOYSA-N,3,1,0.593,11,660,426.455,4.317,5,0.402,0.75,1.0,0.9276694537728737,0.9177660886848057,0.634415050373518,0.6368394900966349,0.7791725207319581
EOS-3-20886,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nc5)n34)cc2F)cn1C,DDGVUQQHFXCNKK-UHFFFAOYSA-N,3,1,0.295,82,336,468.496,3.594,6,0.423,0.67,1.0,0.3036375162771571,0.2833938729353711,0.18800973202659174,0.21897916523884586,0.24850507161949148
EOS-3-20887,Cn1ncnc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncc1Cl,PQYJIGYGQHSPAA-UHFFFAOYSA-N,3,1,0.542,36,446,454.281,3.263,5,0.398,0.66,1.0,0.6945976972106093,0.7841648961688712,0.1591220615447879,0.3085720649715578,0.4866141799739565
EOS-3-20888,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)cn2)cn1,PSZKLHLCLOCMLT-UHFFFAOYSA-N,3,1,0.305,30,945,459.473,3.776,6,0.38,0.67,0.754,0.26356144198478515,0.21683743403467892,0.2917123569323556,0.2719570283051196,0.2610170653142348
EOS-3-20889,CCOc1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1F,IQMHTINFUGROCB-UHFFFAOYSA-N,3,1,0.58,90,255,417.803,4.096,4,0.47,0.74,1.0,0.8827787677335344,0.9553834555547941,0.8604704955109314,0.8322681790144609,0.8827252244534302
EOS-3-20890,Fc1ccnc(-c2cnnc(COc3cncc4nnc(-c5ccccn5)n34)c2)c1F,WGWYOJWJHCTFPS-UHFFFAOYSA-N,3,1,0.472,46,128,418.367,2.896,5,0.429,0.71,1.0,0.49392605030498254,0.4810499623055308,0.5055342334315674,0.5239188540881365,0.5011072750325543
EOS-3-20891,Cc1nccc(COc2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)c1Cl,PBODIIMINYSZSZ-UHFFFAOYSA-N,3,1,0.494,59,606,447.861,4.323,5,0.396,0.74,1.0,0.7980261805222397,0.77563223905147,0.7324549379754643,0.7611969707353848,0.7668275820711398
EOS-3-20892,O=C(c1cccnc1)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)cn1,ZZQVZUWTTHWTIF-UHFFFAOYSA-N,3,1,0.316,85,60,462.395,3.212,5,0.366,0.7,0.998,0.2608285929682681,0.3330220683983277,0.7350764169693647,0.5920944417791789,0.4802553800287849
EOS-3-20893,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4F)n23)cc1F,BLUKSSGZTMBSJB-UHFFFAOYSA-N,3,1,0.5,36,258,477.435,2.199,5,0.395,0.75,1.0,0.6145826194229319,0.44123089575765884,0.40967034473305464,0.33345041463916114,0.4497335686382017
EOS-3-20894,N#Cc1ccc(-c2nnc3cncc(Oc4nnc(-c5ccc(Cl)nc5)nn4)n23)cc1,NZHXTQWHRMBLJM-UHFFFAOYSA-N,3,1,0.479,36,706,428.803,2.751,5,0.392,0.66,1.0,0.8166421081488588,0.835155232677678,0.3427969296141457,0.4322870262490576,0.606720324172435
EOS-3-20895,Cc1nc(Cl)cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)n[nH]4)n23)n1,ZYXQOJWLXHYCOV-UHFFFAOYSA-N,3,1,0.426,4,963,453.293,4.166,5,0.398,0.75,1.0,0.4792166403947639,0.49938318141319993,0.5091923103282846,0.6071465286820643,0.5237346652045782
EOS-3-20896,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)cnn4)n23)c1,FVEBNNJXIVUBLH-UHFFFAOYSA-N,3,1,0.43,65,466,431.847,2.708,5,0.4,0.61,1.0,0.6063241038996642,0.5929854019601124,0.2807295593173874,0.34302823658419573,0.45576682544034
EOS-3-20897,CCc1nccc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cn5)n34)nc2)n1,RHBRKZYQWAIOGS-UHFFFAOYSA-N,3,1,0.379,51,924,429.419,2.714,5,0.401,0.65,1.0,0.5635151805907751,0.5591032143101912,0.10910835446508121,0.09010691522171202,0.3304584161469399
EOS-3-20898,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nncn6C)n5)n34)cn2)n1,LMJJIEGZLZGEDX-UHFFFAOYSA-N,3,1,0.279,86,513,438.415,1.797,6,0.396,0.63,1.0,0.13730210403673498,0.055633609759440754,0.016748338016585568,0.01446953601535193,0.05603839695702831
EOS-3-20899,C=Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)cn1,UUHXKCFBTGBYPV-UHFFFAOYSA-N,3,1,0.322,74,333,422.452,3.177,5,0.467,0.69,1.0,0.17281200740182304,0.0594801590021246,0.29172092385717224,0.1709872524158728,0.17375008566924816
EOS-3-20900,c1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)c2)cn1,KMBAOLFCTVVRKI-UHFFFAOYSA-N,3,1,0.286,94,165,420.396,2.755,6,0.419,0.72,0.996,0.17282057432663972,0.13313857857583442,0.26571174011376875,0.2780823795490371,0.21243831814131997
EOS-3-20902,c1ccc(-c2ccc(Oc3cncc4nnc(-c5cnc(-c6cnco6)nc5)n34)nc2)cc1,RUMVNRUOVJQAFS-UHFFFAOYSA-N,3,1,0.386,41,318,434.419,4.091,6,0.395,0.72,1.0,0.45279624426016035,0.25743609074086765,0.3580803234870811,0.3430368035090124,0.35283736549928035
EOS-3-20903,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(C#N)nc5)ccn4)n23)c1F,YGCOQCOJJDMFDX-UHFFFAOYSA-N,3,1,0.402,46,160,438.426,3.542,5,0.409,0.67,1.0,0.6887379206360085,0.6021520115139469,0.7166403947638955,0.6307227057775341,0.6595632581728462
EOS-3-20904,CCn1c(-c2cnn(C)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cncn4C)nc3)n12,ZFPMHOADLMGKGL-UHFFFAOYSA-N,3,1,0.281,99,754,452.486,2.266,6,0.39,0.66,1.0,0.026343293811253513,0.023798917140703174,0.020226509492152697,0.01911280926598588,0.022370382427523816
EOS-3-20905,CCn1c(-c2ccc(F)cn2)nnc1-c1cncc2nnc(-c3ccc(F)cc3Cl)n12,XVEOJQARDXTMKD-UHFFFAOYSA-N,3,1,0.398,22,311,438.829,4.063,5,0.42,0.66,0.999,0.2529298882873004,0.45468953464464396,0.36926872729764926,0.6220701117126997,0.4247395654855733
EOS-3-20906,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2Cl)cn1,GSMUQTZOZLDDDF-UHFFFAOYSA-N,3,1,0.512,20,846,448.849,3.452,5,0.389,0.64,1.0,0.8864968131039682,0.9543725584264272,0.539793365773422,0.5829192653005277,0.7408955006510862
EOS-3-20907,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,KKUXQNJGMWCCPK-UHFFFAOYSA-N,3,1,0.473,40,355,461.489,3.623,6,0.37,0.71,1.0,0.4045044890686039,0.1977074909190597,0.39914159413336986,0.3237954903707765,0.3312872661229525
EOS-3-20908,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnncn6)n5)n34)cn2)n1,HIJDSUAWLJTFCR-UHFFFAOYSA-N,3,1,0.286,76,14,434.427,1.896,6,0.404,0.61,0.446,0.09750017133849634,0.05176992666712357,0.0867572476183949,0.08465835103831129,0.08017142416558153
EOS-3-20909,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c(F)c2)nn1,BXPCFPPPCAVCPK-UHFFFAOYSA-N,3,1,0.494,16,772,448.849,3.718,5,0.375,0.71,1.0,0.7895192241792885,0.8204458227674594,0.6229096703447331,0.6248800630525666,0.714438695086012
EOS-3-20910,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)cn4)n23)c1,DVAFZIYLJQSICZ-UHFFFAOYSA-N,3,1,0.319,30,945,431.463,3.711,6,0.419,0.65,1.0,0.05621616064697416,0.02380748406551984,0.2730707285312864,0.3334589815639778,0.17163833870193956
EOS-3-20911,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)o5)nc4OCCF)n23)cc1,IKHHXHMSRZUONW-UHFFFAOYSA-N,3,1,0.346,62,124,473.468,3.525,5,0.381,0.75,1.0,0.3316256596532109,0.18031663354122404,0.2692670139126859,0.12895791926530054,0.22754180659310536
EOS-3-20912,Cc1nn(C)cc1COc1cncc2nnc(-c3cc(Cl)nc(-c4ccccn4)c3)n12,GLFQEKXXVXUINE-UHFFFAOYSA-N,3,1,0.462,24,486,432.875,3.523,5,0.392,0.71,0.958,0.3190237132478925,0.4192053320540059,0.2807381262422041,0.27196559522993624,0.3227331916935097
EOS-3-20913,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)cc5C)n34)c2)nn1,KQTRAIUUJPKSBA-UHFFFAOYSA-N,3,1,0.473,53,785,442.458,3.416,5,0.394,0.68,0.993,0.6175125077102324,0.5591117812350079,0.4096789116578713,0.36894318415461586,0.4888115961894318
EOS-3-20914,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)c(F)c5)n34)c2)n1,YIXFQFNFPRGEFG-UHFFFAOYSA-N,3,1,0.337,25,774,449.453,3.85,6,0.403,0.68,1.0,0.2145757658830786,0.2628332533753684,0.49842368583373314,0.5797323692687273,0.3888912685902269
EOS-3-20915,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)ccn2)cn1,ZJDZZWXTRAWBKR-UHFFFAOYSA-N,3,1,0.5,97,525,435.369,3.64,5,0.389,0.69,1.0,0.8732095127133165,0.8280960866287438,0.8823418545678843,0.8512610513330136,0.8587271263107394
EOS-3-20916,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)cc1,JVMZKRNUMFUXQF-UHFFFAOYSA-N,3,1,0.306,38,983,420.436,3.909,6,0.426,0.73,1.0,0.2552686587622507,0.10031868960318004,0.40968747858268795,0.3818621067781509,0.2867842334315674
EOS-3-20917,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)ncn2)nc1,JYNCNLWDNAWYSN-UHFFFAOYSA-N,3,1,0.381,31,481,466.292,3.362,5,0.371,0.7,1.0,0.5065879651840175,0.5356469741621548,0.2844304708381879,0.42592180111027345,0.4381468028236584
EOS-3-20918,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnn(C)n5)nc4)n23)cc1F,ZQCBRSLDHGDYKE-UHFFFAOYSA-N,3,1,0.553,36,258,417.408,2.403,5,0.429,0.74,1.0,0.5246213419231033,0.45012336371736,0.254977383318484,0.2336628743746145,0.36584624083339046
EOS-3-20919,Cc1cc(C(=O)NC2(C)CC2)ccc1-c1nnc2cncc(-c3cnn(-c4cnn(C)c4)c3)n12,COXAMECDKJUNFL-UHFFFAOYSA-N,3,1,0.274,63,450,453.51,2.968,6,0.438,0.64,1.0,0.01892433692001919,0.026146254540470152,0.07085703515865945,0.07766774038791036,0.04839884175176479
EOS-3-20920,Clc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccncn5)n34)c2)s1,KTPSVTQVFBGHJF-UHFFFAOYSA-N,3,1,0.429,18,181,436.888,3.375,5,0.399,0.67,1.0,0.4939346172297992,0.46355630182989516,0.16869131656500583,0.20452676307312728,0.3326772496744569
EOS-3-20921,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncccc5F)ccn4)n23)cc1F,HYDYAGSIKCIZEV-UHFFFAOYSA-N,3,1,0.552,97,71,430.418,4.414,5,0.411,0.73,1.0,0.7463333561784662,0.7714601466657529,0.8497704064149133,0.8203344527448427,0.7969745905009938
EOS-3-20922,Cn1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)cc1-c1cncc(Cl)c1,AOFOFBDZNFQACH-UHFFFAOYSA-N,3,1,0.518,13,956,439.813,4.311,5,0.415,0.74,1.0,0.46437872661229523,0.4766979644986636,0.8351637996024946,0.8739976697964499,0.6625595401274759
EOS-3-20923,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)c2)nc1,DSDDSAPPZKOWBI-UHFFFAOYSA-N,3,1,0.419,7,65,436.798,2.2,5,0.378,0.66,1.0,0.5041206908368172,0.5497395654855733,0.18149030224110754,0.22461620176821329,0.36499169008292787
EOS-3-20924,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccc(Cl)n5)nc4)n23)cc1,IHUBEGWFGLNOIG-UHFFFAOYSA-N,3,1,0.318,38,725,466.896,3.759,6,0.361,0.75,1.0,0.17282914125145638,0.19316702076622574,0.30613905832362415,0.3463093687889795,0.25461114728257145
EOS-3-20925,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ncn2)cc1,NVYDMEGHDZJUKJ-UHFFFAOYSA-N,3,1,0.524,44,130,426.465,3.198,5,0.407,0.74,0.985,0.740122335686382,0.5591203481598246,0.35808889041189773,0.3689517510794325,0.5065708313343842
EOS-3-20926,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)c2)s1,DEJFTDQKYQMZPN-UHFFFAOYSA-N,3,1,0.523,43,521,436.447,4.475,5,0.404,0.76,1.0,0.7670824480844356,0.7317096155164142,0.7040641491330272,0.7028048111849771,0.7264152559797135
EOS-3-20927,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ncc(F)nn6)ncn5)n34)cc2)nn1,PZCAAGBCAPKMPA-UHFFFAOYSA-N,3,1,0.317,98,882,452.417,2.035,6,0.39,0.62,0.803,0.07893564526077719,0.14427558083750258,0.1232694811870331,0.14237372352820232,0.1222136077033788
EOS-3-20928,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccc(F)c5)c4)n23)s1,POJCBJOVEWMURP-UHFFFAOYSA-N,3,1,0.398,19,348,447.455,3.127,5,0.424,0.63,0.433,0.44338119388664243,0.242649578507299,0.30969433212254127,0.30858063189637447,0.3260764341032143
EOS-3-20929,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)cn2)cn1,LVZFETGZHDXILI-UHFFFAOYSA-N,3,1,0.471,13,995,435.369,4.161,5,0.392,0.75,1.0,0.7923034747447056,0.8725412925776164,0.8834726886436844,0.8342814063463779,0.8456497155780962
EOS-3-20930,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)c2)cn1,ZBIYCEHGMSLSOH-UHFFFAOYSA-N,3,1,0.477,20,846,444.886,3.622,5,0.391,0.66,1.0,0.706985470495511,0.7927146871359056,0.31740456445754234,0.3177044068261257,0.5337022822287711
EOS-3-20931,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)ccn1,JMRSNMXWUXXMQL-UHFFFAOYSA-N,3,1,0.333,38,983,436.41,4.104,6,0.38,0.75,1.0,0.35258035775478036,0.35781474881776437,0.6408316770612021,0.6336954286889178,0.49623055308066616
EOS-3-20932,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)cc(C#N)c5)n34)ccn2)cn1,KNKOKAGKINBLJF-UHFFFAOYSA-N,3,1,0.467,75,99,440.854,4.269,5,0.407,0.7,1.0,0.6706188746487561,0.7410646974162155,0.7166489616887122,0.7113032006031115,0.7099089335891988
EOS-3-20933,Clc1nnc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)s1,BMIVOMQPYFLXEW-UHFFFAOYSA-N,3,1,0.477,18,88,436.888,3.375,5,0.399,0.7,1.0,0.41791172640668905,0.40982454937975465,0.06465458159139195,0.12492289767664999,0.25432843876362143
EOS-3-20934,c1cnc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cn1,DQIFOVOPOJZRIM-UHFFFAOYSA-N,3,1,0.311,38,167,436.464,3.224,6,0.41,0.64,1.0,0.10258035775478035,0.11318621067781509,0.15583236241518744,0.21034370502364472,0.1454856589678569
EOS-3-20935,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cn1,XIOGUUUTSCFZDO-UHFFFAOYSA-N,3,1,0.282,38,522,451.519,4.255,6,0.386,0.73,1.0,0.10513330135014735,0.09415907065999589,0.15584092934000413,0.18481426906997464,0.1349868926050305
EOS-3-20936,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)cn2)cn1,JKZJURANTAUVKZ-UHFFFAOYSA-N,3,1,0.44,55,282,444.886,3.888,5,0.402,0.7,1.0,0.6915221712014256,0.7038842437118772,0.484913645397848,0.4132513193064218,0.5733928449043931
EOS-3-20937,Cc1cn(-c2cccc(-c3cncc4nnc(-c5cnc(-c6cnco6)nc5)n34)n2)nn1,UEIRXCWKVGMWQM-UHFFFAOYSA-N,3,1,0.301,86,780,423.4,2.187,6,0.414,0.66,1.0,0.00930368035090124,0.013415804262901789,0.041309711465972176,0.039939003495305325,0.02599204989377013
EOS-3-20938,Cn1cnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)c1,QBPPCBWNJSEQKD-UHFFFAOYSA-N,3,1,0.321,98,765,469.9,3.098,6,0.386,0.7,1.0,0.18696456719895826,0.36213247892536493,0.1880182989514084,0.2543091631827839,0.2478561270646289
EOS-3-20939,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3cnc(Cl)c(F)c3)n12,BPMSYJUAHDUKGR-UHFFFAOYSA-N,3,1,0.716,23,281,422.222,4.393,4,0.447,0.74,1.0,0.9756699335206634,0.9861729833458982,0.9480244671372764,0.9689705983140292,0.9697094955794667
EOS-3-20940,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4cccc(Cl)c4F)n23)cc1,ZHLJVDMOBVFNBV-UHFFFAOYSA-N,3,1,0.388,62,3,464.913,4.734,5,0.415,0.78,1.0,0.25293845521211705,0.3479370845041464,0.6799653896237406,0.6860222054691248,0.4917157837022822
EOS-3-20941,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cncnn5)n34)cc2F)n1,UCOJKTUHUFXLMW-UHFFFAOYSA-N,3,1,0.495,36,779,430.407,1.897,5,0.394,0.63,1.0,0.8116133232814748,0.7672709204304023,0.11154136111301487,0.13126242204098418,0.4554220067164691
EOS-3-20942,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,FMHCAMCLQJJEFZ-UHFFFAOYSA-N,3,1,0.448,2,564,437.826,2.748,5,0.413,0.63,1.0,0.5397847988486053,0.5219056267562195,0.47423069015146324,0.5005996847371668,0.5091302001233637
EOS-3-20943,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnn5)nn4)n23)cc1,NCWPMQXZWOMSDV-UHFFFAOYSA-N,3,1,0.577,36,404,418.808,2.061,5,0.418,0.67,1.0,0.7522445343019669,0.9032965526694537,0.1315965321088342,0.23072441916249742,0.504465509560688
EOS-3-20945,Cc1c(-c2ccc(F)cc2)ccnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,KXRMUIQAWKAODX-UHFFFAOYSA-N,3,1,0.324,52,776,465.492,4.255,6,0.417,0.71,0.985,0.25527722568706734,0.2574446576656843,0.302532382975807,0.40343362346652045,0.30467197244876976
EOS-3-20946,Cc1ccc(-c2nnc3cncc(CCc4ccc(F)c(-c5cnc(F)cn5)n4)n23)cn1,HHOFQGHBQJDQIJ-UHFFFAOYSA-N,3,1,0.381,85,580,430.422,3.41,5,0.422,0.63,1.0,0.43170447536152423,0.5447536152422726,0.3692772942224659,0.38489479816325134,0.4326575457473785
EOS-3-20947,Cc1nc(-c2nc(Cc3cncc4nnc(-c5ccccc5)n34)ccc2Cl)n(C)n1,WAHQQUBBOPQAAH-UHFFFAOYSA-N,3,1,0.379,14,81,416.876,3.534,5,0.445,0.76,1.0,0.18423171818244122,0.2885939962990885,0.08446131176752793,0.1605527379891714,0.17945994105955726
EOS-3-20948,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nnc2C)cn1,UKMFSBFGBGCATK-UHFFFAOYSA-N,3,1,0.455,92,466,427.472,2.79,5,0.39,0.69,0.999,0.18697313412377492,0.0778133781097937,0.10380542800356383,0.07194503461037625,0.11013424371187719
EOS-3-20949,Cn1nnnc1-c1cc(F)cc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)c1,DICYJZLHAXUZJT-UHFFFAOYSA-N,3,1,0.333,25,635,468.431,3.384,6,0.387,0.68,1.0,0.2037214721403605,0.2732077993283531,0.4498577890480433,0.5106915221712014,0.3593696456719896
EOS-3-20950,COc1cccc(COc2cncc3nnc(-c4cnc(OC)c(-c5ccnnc5)c4)n23)c1,OADFTJRAOXRRFL-UHFFFAOYSA-N,3,1,0.477,89,657,441.451,3.24,5,0.376,0.73,1.0,0.4067147556713042,0.257453224590501,0.5164484956480022,0.31169899252964156,0.37307886710986227
EOS-3-20951,c1cnnc(-c2noc(COc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)n2)c1,CQWKDMURWUFVCF-UHFFFAOYSA-N,3,1,0.412,80,34,441.371,1.655,6,0.366,0.7,1.0,0.3482797614968131,0.31398636145569186,0.01846172297991913,0.01684257418956891,0.17439260503049825
EOS-3-20952,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)cn4)n23)c(F)c1,TUXPCOXWEDPJGN-UHFFFAOYSA-N,3,1,0.31,98,765,453.445,2.583,6,0.4,0.61,1.0,0.12621650332396683,0.28860256322390515,0.2477897333972997,0.2663885271742855,0.23224933177986432
EOS-3-20953,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3nc(Cl)cc(Cl)n3)n12,SAGWATMYNQXLEG-UHFFFAOYSA-N,3,1,0.545,90,555,421.675,4.429,4,0.454,0.76,1.0,0.7127510108971283,0.8782554314303338,0.6962425467754095,0.8241724350627099,0.7778553560413953
EOS-3-20954,Cn1ccnc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)c1,KASNWVPLYXTXQS-UHFFFAOYSA-N,3,1,0.535,27,69,452.4,3.58,5,0.402,0.67,1.0,0.6975275854979097,0.6891576999520252,0.8588599136453978,0.677198272907957,0.7306858680008225
EOS-3-20955,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cc(C)nn5C)nn4)n23)nc1,CCULDGQQVLRZNE-UHFFFAOYSA-N,3,1,0.354,33,60,441.459,1.031,5,0.423,0.55,0.671,0.06315536974847509,0.02381605099033651,0.010186073607018025,0.0029812898362003974,0.025034696045507506
EOS-3-20956,Fc1cc(-c2nnc3cncc(OCc4nnc(-c5ccon5)s4)n23)ccc1Cl,MRBQCDOPZXFODT-UHFFFAOYSA-N,3,1,0.554,4,391,429.824,3.669,5,0.416,0.73,1.0,0.7313412377492975,0.8166249742992255,0.29523336303200604,0.43828387362072513,0.5703708621753135
EOS-3-20957,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)nn1,FLEFINHTTCNVGD-UHFFFAOYSA-N,3,1,0.46,2,419,434.822,3.41,5,0.387,0.66,1.0,0.5424576793914057,0.659661777808238,0.619971215132616,0.6482249331779865,0.6175789013775616
EOS-3-20958,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)cn1,JBAGIGFHBUIFJJ-UHFFFAOYSA-N,3,1,0.474,87,349,450.865,3.396,5,0.391,0.67,1.0,0.5272256870673703,0.5083099170721678,0.5826622575560277,0.5888732780481118,0.5517677849359195
EOS-3-20959,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nn1,PUXXGLQOCVOMND-UHFFFAOYSA-N,3,1,0.443,53,838,445.874,3.017,5,0.388,0.64,1.0,0.5553252004660407,0.6500325543143033,0.1913165650058255,0.2134106641080118,0.4025212459735453
EOS-3-20960,COc1nc(-c2ccc(F)cn2)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,VOAXDMQMIQWELE-UHFFFAOYSA-N,3,1,0.65,11,56,442.454,4.018,5,0.376,0.73,1.0,0.8790264546638339,0.7223888013158797,0.4948598451099993,0.4322955931738743,0.6321426735658968
EOS-3-20961,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(C#N)cc5)cn4)n23)c(F)c1,BVPVEOVXQOLQJH-UHFFFAOYSA-N,3,1,0.353,25,219,474.463,3.722,6,0.379,0.76,1.0,0.20934137482009457,0.3718302378178329,0.6170498937701323,0.680136728120074,0.46958955863203344
EOS-3-20962,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(C(F)F)nc4)n23)c(F)n1,ARKFFYBDYFFQQO-UHFFFAOYSA-N,3,1,0.416,68,127,415.335,2.81,4,0.5,0.68,1.0,0.7221317935713796,0.7085617846617778,0.5921886779521623,0.432304160098691,0.6137966040710027
EOS-3-20963,CCOc1cc(-c2cnc(C)nn2)ccc1-c1nnc2cncc(Br)n12,KDEIZEVHKIDKDI-UHFFFAOYSA-N,3,1,0.643,68,861,412.251,3.113,4,0.509,0.72,1.0,0.30878623809197453,0.29886573915427317,0.212399766979645,0.16567575902953877,0.24643187581385786
EOS-3-20964,CCn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1,UOZOPGFFLWFSTF-UHFFFAOYSA-N,3,1,0.289,38,608,446.478,3.589,6,0.395,0.66,1.0,0.109965046946748,0.055642176684257416,0.15913062846960455,0.16834863957233911,0.12327162291823726
EOS-3-20966,Fc1ccc(-n2ccc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)n2)cc1,ZNLDMVNNLOFOQQ-UHFFFAOYSA-N,3,1,0.349,3,118,452.428,4.379,6,0.395,0.71,0.908,0.04356281269275581,0.19317558769104243,0.7350849838941813,0.807509766294291,0.4448332876430676
EOS-3-20967,Fc1cc(-c2ccnc(F)c2)cc(-c2nnc3cncc(OCCc4ccnnc4)n23)c1,HAKWDOGKHQDFDH-UHFFFAOYSA-N,3,1,0.571,35,202,431.406,3.543,5,0.38,0.69,1.0,0.7640326228497019,0.7798300322116373,0.7905815228565554,0.7829997943938044,0.7793609930779247
EOS-3-20968,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)cc1Cl,FPIWZTJARNUSOF-UHFFFAOYSA-N,3,1,0.63,43,96,449.877,4.441,5,0.381,0.79,1.0,0.6314166266876842,0.7410732643410322,0.6138372969638819,0.6832465218285244,0.6673934274552806
EOS-3-20969,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccn(C)n5)nc4)n23)nc1,SVDIMMJMRIGEID-UHFFFAOYSA-N,3,1,0.305,32,179,444.502,4.624,6,0.394,0.78,1.0,0.03479884860530464,0.051778493591940235,0.5126704818038517,0.47891679802618053,0.2695411555068193
EOS-3-20970,Cc1nccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)nc2)n1,DINITOZTSVGMGI-UHFFFAOYSA-N,3,1,0.417,18,367,445.874,3.017,5,0.363,0.7,1.0,0.6613580289219382,0.6792543348639573,0.1653502158865054,0.14974127887053662,0.41392596463573433
EOS-3-20971,COc1nc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCCc3cncnn3)n12,FGQOJSUQPXFBGY-UHFFFAOYSA-N,3,1,0.432,92,456,430.432,1.402,5,0.373,0.66,1.0,0.29325440339935577,0.10705229250908094,0.041318278390788846,0.019789596326502637,0.11535364265643204
EOS-3-20972,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ncc(F)cn4)cn3)n12,MQGNGKBXXQDWKA-UHFFFAOYSA-N,3,1,0.529,73,82,447.861,4.323,5,0.396,0.76,1.0,0.8009817695839901,0.9099102186279213,0.6610667534781715,0.6682544033993557,0.7600532862723597
EOS-3-20974,Fc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnn1,XEAZLSRCLSASLK-UHFFFAOYSA-N,3,1,0.585,43,232,433.834,4.015,5,0.386,0.73,1.0,0.9407083133438421,0.9581248714961278,0.7662600233020355,0.8011616750051401,0.8665637207867863
EOS-3-20976,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5nc(Cl)ccc5F)n34)c2)cn1,MJTZEUHKPHVOJG-UHFFFAOYSA-N,3,1,0.495,15,563,449.877,4.001,5,0.364,0.76,1.0,0.617521074635049,0.6645449249537386,0.652388458638887,0.6626087999451716,0.6492658145432115
EOS-3-20977,Fc1cccc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,FKXCTQGYQZWUQQ-UHFFFAOYSA-N,3,1,0.556,34,929,432.846,4.62,5,0.403,0.78,1.0,0.9290658625179905,0.9733397299705298,0.7729679254334864,0.8422143787266123,0.8793969741621548
EOS-3-20978,Cc1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cs2)n(C)n1,NKVBJXNCHIGOBO-UHFFFAOYSA-N,3,1,0.556,4,32,437.916,4.189,5,0.41,0.75,1.0,0.5165598656706188,0.6937838393530258,0.22632958673154685,0.27197416215475295,0.42716186347748614
EOS-3-20979,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c(Cl)c2)n1,KHPPVHXDDSLIKI-UHFFFAOYSA-N,3,1,0.565,37,619,450.865,3.396,5,0.391,0.64,1.0,0.7342197244876979,0.7798385991364539,0.5126790487286683,0.5408299636762388,0.6418918340072648
EOS-3-20980,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccsc5)s4)n23)cc1,WNCWTGSLJIYSNA-UHFFFAOYSA-N,3,1,0.371,52,916,457.584,5.064,6,0.387,0.86,1.0,0.10258892467959702,0.059488725926941266,0.230039065177164,0.2959015831677061,0.17200457473785208
EOS-3-20981,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(F)c1,NBZAKJLYRXGRGN-UHFFFAOYSA-N,3,1,0.438,51,196,451.853,3.231,5,0.387,0.69,1.0,0.5476149681310397,0.5727845932424097,0.1982900418065931,0.26011753820848466,0.3947017853471318
EOS-3-20982,Cn1nnc(-c2cncnc2)c1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)cc3)n12,XCGYOVHPAXFFDG-UHFFFAOYSA-N,3,1,0.268,98,167,421.428,2.434,6,0.46,0.66,0.999,0.04955109313960661,0.059497292851757935,0.11463402097183195,0.1497498457953533,0.09335806318963745
EOS-3-20983,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cnn2)nn1,UFNBXFNJZZSHHF-UHFFFAOYSA-N,3,1,0.33,98,63,434.423,3.064,6,0.407,0.62,1.0,0.16744054554177232,0.11319477760263176,0.16229182372695497,0.17934857103694057,0.1555689294770749
EOS-3-20984,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ncn4)n23)n1,DFPXSCYHIDPTCA-UHFFFAOYSA-N,3,1,0.389,31,481,451.853,2.791,5,0.387,0.69,0.997,0.42963127955589064,0.3815022959358509,0.20887019395517786,0.2867178397642382,0.3266804023027894
EOS-3-20985,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3cccc(Cl)c3F)n12,VUGTUEMLXAHRSN-UHFFFAOYSA-N,3,1,0.53,59,293,450.836,4.759,5,0.384,0.8,1.0,0.9601466657528613,0.9609519566856282,0.9253820848468234,0.9308220821054074,0.94432569734768
EOS-3-20986,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnc(Cl)cn6)c5)n34)cc2)nc1,AQNIJUNUGZNVIC-UHFFFAOYSA-N,3,1,0.333,42,150,469.871,4.289,6,0.379,0.79,1.0,0.03227160578438763,0.24772119799876635,0.6635854293742718,0.7217976835035296,0.41634397916523885
EOS-3-20987,Cc1nc(CCOc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)ccc1F,JRMVBOXVHXUNIG-UHFFFAOYSA-N,3,1,0.542,90,400,413.84,3.401,4,0.521,0.73,1.0,0.9051298745802207,0.907879857446371,0.782211637310671,0.7637841820300185,0.8397513878418202
EOS-3-20988,Fc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ncccc4F)ccn3)n12,OBAVKQSNWVGXJK-UHFFFAOYSA-N,3,1,0.622,11,692,430.418,4.148,5,0.403,0.69,1.0,0.6825526009183743,0.6304656980330341,0.7706719895826194,0.7875830991707217,0.7178183469261874
EOS-3-20989,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccc2F)nn1,SZYKEXMCSXQYPE-UHFFFAOYSA-N,3,1,0.518,4,92,433.472,4.04,5,0.413,0.74,1.0,0.539793365773422,0.6256510862860668,0.3281646220272771,0.2959101500925228,0.4473798060448222
EOS-3-20990,Clc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnccn6)nn5)n34)cn2)ccn1,VNOWCXADQVDOTD-UHFFFAOYSA-N,3,1,0.324,86,312,453.857,2.939,6,0.37,0.7,0.989,0.0017562195874169008,0.10365979028168049,0.26572030703858546,0.3527345624014804,0.18096771982729082
EOS-3-20991,N#Cc1ccncc1CCOc1cncc2nnc(-c3cc(-c4ncccc4F)ccn3)n12,RDXDGDASNNVBLE-UHFFFAOYSA-N,3,1,0.447,18,181,438.426,3.276,5,0.397,0.67,1.0,0.7640411897745185,0.6551384415050373,0.6138458638886986,0.6038910972517305,0.6592291481049962
EOS-3-20992,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)cn4)ccn3)n12,DFNFKERFCGZDEE-UHFFFAOYSA-N,3,1,0.457,18,181,446.902,3.565,5,0.393,0.69,1.0,0.3504900280995134,0.3432252758549791,0.24779830032211636,0.2691128092659859,0.3026566033856487
EOS-3-20993,Cn1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)c1,QODMFVOSVTYYHA-UHFFFAOYSA-N,3,1,0.517,73,212,436.838,3.353,5,0.417,0.65,1.0,0.6285295730244671,0.8087262696182578,0.5431258995271058,0.5797409361935439,0.6400306695908436
EOS-3-20994,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5F)n34)n2)o1,QTKFCNCJRAMHGR-UHFFFAOYSA-N,3,1,0.329,76,865,454.429,3.146,6,0.395,0.63,1.0,0.23389418134466453,0.3330306353231444,0.14660578438763622,0.16056130491398807,0.2185229764923583
EOS-3-20995,Fc1cc(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)ccc1-c1cccnc1,WVWVDPIOGHBQLB-UHFFFAOYSA-N,3,1,0.358,32,170,446.449,4.511,6,0.393,0.73,1.0,0.31672777739702557,0.405121307655404,0.7426667123569324,0.7559968473716675,0.5551281611952573
EOS-3-20996,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)nn5)ccc4F)n23)nc1,YJRSFBPNKLCPFM-UHFFFAOYSA-N,3,1,0.456,46,348,428.431,3.373,5,0.42,0.65,1.0,0.6946062641354259,0.6304742649578507,0.3917226372421356,0.3430453704338291,0.5149621341923103
EOS-3-20997,Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccnc(C)c5)ncn4)n23)cn1,PGZFSIUKVPLNAS-UHFFFAOYSA-N,3,1,0.443,18,238,424.468,3.277,5,0.409,0.69,0.996,0.5718936330614762,0.21191145226509492,0.2844390377630046,0.18744431498869166,0.3139221095195669
EOS-3-20998,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cnccn5)o4)n23)cc1Cl,ZOUMRAYAJLSZNJ-UHFFFAOYSA-N,3,1,0.333,99,765,457.845,2.747,6,0.388,0.7,1.0,0.20644575423206085,0.30882050579124115,0.09602666027002947,0.16568432595435542,0.19424431156192173
EOS-3-20999,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccn2)nn1,ZPMIVKWBOIGLNL-UHFFFAOYSA-N,3,1,0.446,55,283,430.859,3.579,5,0.39,0.69,1.0,0.6401977246247686,0.7884140908779385,0.4354053868823247,0.4228205743266397,0.5717094441779179
EOS-3-21000,Cc1cc(-c2nc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)ccc2F)ncn1,BYJIJLFPVODSDW-UHFFFAOYSA-N,3,1,0.392,31,726,463.864,3.156,5,0.374,0.67,0.976,0.6887464875608251,0.6551470084298541,0.1814988691659242,0.2307329860873141,0.4390313378109794
EOS-3-21001,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ncccc5F)cnn4)n23)c1,QUZILYRZFPFODZ-UHFFFAOYSA-N,3,1,0.539,19,159,431.406,3.543,5,0.406,0.67,1.0,0.6734116921389898,0.6118926050304982,0.6468028236584196,0.6972277431293263,0.6573337159893085
EOS-3-21002,COc1ncc(F)cc1COc1cncc2nnc(-c3cccc(-c4nsc(C)n4)c3)n12,YXLRUCXSPAEEMW-UHFFFAOYSA-N,3,1,0.494,16,921,449.471,3.74,5,0.387,0.74,1.0,0.5190785415667192,0.4993917483380166,0.25848125556850116,0.18482283599479132,0.3654435953670071
EOS-3-21003,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccn(C)n5)n34)cc2F)nn1,ZJYCONRPFQNJGK-UHFFFAOYSA-N,3,1,0.511,36,460,431.435,2.446,5,0.403,0.65,1.0,0.5890874511685286,0.6070265917346309,0.15291104105270373,0.13544308135151806,0.3711170413268453
EOS-3-21004,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)c2)cc1F,SQAGVJSPGVGXQM-UHFFFAOYSA-N,3,1,0.558,1,31,430.418,4.414,5,0.384,0.81,1.0,0.6035055856349805,0.635391679802618,0.8351723665273113,0.7945737098211226,0.7171608354465081
EOS-3-21005,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)c(F)c1,DGBRGHUERAKOQC-UHFFFAOYSA-N,3,1,0.321,98,745,468.431,3.384,6,0.387,0.69,1.0,0.25528579261188405,0.36214104585018164,0.6199797820574326,0.6511376876156535,0.472136077033788
EOS-3-21006,Cc1nnc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)s1,NCSVRSRFMRMQDJ-UHFFFAOYSA-N,3,1,0.316,70,392,450.491,3.532,6,0.397,0.67,1.0,0.07666541018436022,0.1331471455006511,0.05868343499417449,0.07950962922349393,0.08700140497566994
EOS-3-21007,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cnnnc5)n34)ccc2F)n(C)n1,YJNDJFLIKAJSQA-UHFFFAOYSA-N,3,1,0.553,36,847,432.423,1.841,5,0.395,0.64,0.991,0.580126447810294,0.5634637790418752,0.0937564251936125,0.1021691453635803,0.33487894935234047
EOS-3-21008,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ccccn4)cnn3)n12,QPMQTIJOXPJQJJ-UHFFFAOYSA-N,3,1,0.424,54,511,433.834,4.015,5,0.413,0.66,1.0,0.6706274415735728,0.6500411212391201,0.7498971969022,0.8055736412857241,0.7190348502501542
EOS-3-21009,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(CCO)nc4)n23)cc1,NXKCWSOWNGDWCR-UHFFFAOYSA-N,3,1,0.483,16,19,428.456,2.096,5,0.419,0.68,1.0,0.552840792269207,0.20242786649304365,0.16230039065177165,0.11089884175176479,0.25711697279144674
EOS-3-21010,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)cnn1,STRFSWIMLHZZDQ-UHFFFAOYSA-N,3,1,0.296,76,272,439.468,2.562,6,0.407,0.63,0.99,0.03628092659858817,0.04817181824412309,0.03173188952093756,0.05290932766774039,0.0422734905078473
EOS-3-21011,COc1cc(-c2cc(C)nn2C)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,YUDKILPYLMQHPN-UHFFFAOYSA-N,3,1,0.523,20,658,442.483,2.92,5,0.379,0.68,1.0,0.2985915975601398,0.1003272565279967,0.19829860873140978,0.09806558837639641,0.1738207627989857
EOS-3-21012,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccco5)n4)n23)cc1,RHIWSGADPBMBAH-UHFFFAOYSA-N,3,1,0.6,36,975,425.355,3.145,5,0.392,0.74,1.0,0.4273696114042903,0.45013193064217666,0.5858405866630114,0.5239274210129532,0.4968173874306079
EOS-3-21013,Fc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cn1,MYLCLUIXTWULHZ-UHFFFAOYSA-N,3,1,0.446,82,243,420.358,3.782,5,0.408,0.74,1.0,0.36881468028236586,0.5447621821670893,0.8261428277705435,0.7830083613186211,0.6306820128846549
EOS-3-21014,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4cnccc4F)c3)n12,SBVZQMQLWQSLMO-UHFFFAOYSA-N,3,1,0.583,75,496,431.406,3.543,5,0.406,0.65,1.0,0.8036546501267905,0.767279487355219,0.7636471112329518,0.7509337948050168,0.7713787608799946
EOS-3-21015,Fc1cncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)c1,QTMZKMIHRVFQJN-UHFFFAOYSA-N,3,1,0.571,35,361,431.406,3.543,5,0.406,0.65,1.0,0.8062761291206908,0.7927232540607224,0.770680556507436,0.7808323624151875,0.7876280755260092
EOS-3-21016,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccn6)n5C)n34)nc2)nn1,WYMAYEWKFKMXPG-UHFFFAOYSA-N,3,1,0.323,99,754,436.443,1.839,6,0.406,0.62,0.638,0.017176684257418955,0.00934651497498458,0.016756904941402233,0.01912137619080255,0.01560037009115208
EOS-3-21017,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)n5)n34)cc2)cs1,XNDMUDHBWUFIOI-UHFFFAOYSA-N,3,1,0.299,38,193,452.507,3.476,6,0.4,0.64,1.0,0.07285312864094305,0.09416763758481256,0.07315297100952642,0.0795181961483106,0.07992298334589816
EOS-3-21018,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5cccnc5)s4)n23)c1,RGYAZOJBMXXWFQ-UHFFFAOYSA-N,3,1,0.333,64,449,453.466,3.968,6,0.395,0.73,0.969,0.11827496401891577,0.2119200191899116,0.17525358097457336,0.30206120211089027,0.20187744157357274
EOS-3-21019,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)nc2C)n1,CPYLUHIRBWUIMJ-UHFFFAOYSA-N,3,1,0.362,31,662,428.46,2.276,5,0.415,0.66,0.996,0.22021280241244603,0.11601329586731547,0.02401309026111987,0.00946645192241793,0.09242641011582482
EOS-3-21020,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)nc1,WNNUKEHDHLFAMH-UHFFFAOYSA-N,3,1,0.462,65,65,433.382,2.333,5,0.398,0.65,1.0,0.6975361524227264,0.5929939688849291,0.34280549653896236,0.372241450209033,0.5013942670139127
EOS-3-21021,COc1nc(-c2nnc3cncc(OCc4cccc(C#N)c4)n23)ccc1-c1nccn1C,LTBTVRBSCSRPAF-UHFFFAOYSA-N,3,1,0.424,49,551,438.451,3.046,5,0.397,0.68,0.999,0.49651326159961623,0.23220649715578096,0.38075697347680076,0.2719827290795696,0.34536486532794186
EOS-3-21022,Cc1nncc(-c2cncc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)n2)c1F,XRBMJLJDQBCBMK-UHFFFAOYSA-N,3,1,0.5,16,408,444.43,2.557,5,0.421,0.63,1.0,0.6458604619285861,0.5930025358097457,0.45362723596737714,0.384903365088068,0.5193483996984443
EOS-3-21023,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4)n23)ccc1-c1cnc(C)nc1,QBQGNPGSGRPYHM-UHFFFAOYSA-N,3,1,0.415,7,690,438.495,3.797,5,0.394,0.73,0.999,0.36196970735384826,0.1636111301487218,0.23004763210198068,0.12692755808375025,0.22063900692207525
EOS-3-21024,Cc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)nn1,VXDPDXBWLNLNDN-UHFFFAOYSA-N,3,1,0.415,92,587,441.415,0.815,5,0.395,0.62,1.0,0.32392399424302654,0.12295250496881639,0.023164964704269757,0.009783428140634638,0.11995622301418683
EOS-3-21025,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4F)n23)cn1,ZUFZMWLRQMJQFR-UHFFFAOYSA-N,3,1,0.5,36,258,417.408,2.403,5,0.429,0.76,1.0,0.5424662463162223,0.5681498869165924,0.2952419299568227,0.26012610513330137,0.41649604208073476
EOS-3-21026,CCn1nnc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(C)cn5)n34)c2)n1,IHFWWDUROMSYMK-UHFFFAOYSA-N,3,1,0.441,36,760,447.89,3.401,5,0.389,0.7,1.0,0.3960575011993695,0.49940031526283324,0.1378246864505517,0.18216708930162429,0.30386239805359466
EOS-3-21027,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)nc(C)n2)nc1,UVBMGCWPYJWAOD-UHFFFAOYSA-N,3,1,0.409,46,330,428.431,3.373,5,0.42,0.64,1.0,0.6429734082653691,0.42363443218422314,0.33921595504077856,0.289973271194572,0.42394926667123567
EOS-3-21028,Cc1nc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4F)n23)ncc1F,VWDZNBWXCYTQGP-UHFFFAOYSA-N,3,1,0.44,73,0,437.435,3.87,5,0.412,0.73,1.0,0.7282999794393804,0.7317181824412309,0.4278836268932904,0.41325988623123844,0.5752904187512851
EOS-3-21029,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)s1,QKYYYFRQNUNGNW-UHFFFAOYSA-N,3,1,0.62,59,294,437.435,3.87,5,0.412,0.73,1.0,0.6706360084983894,0.6119011719553149,0.6050733328764307,0.6008584058666301,0.6221172297991914
EOS-3-21030,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccnc(-c5ncc(F)cn5)n4)n23)nc1,ORRZUHWOKSVDRC-UHFFFAOYSA-N,3,1,0.374,33,580,456.445,1.717,5,0.405,0.59,0.992,0.2228514152559797,0.14805359468165308,0.03174045644575423,0.02306216160646974,0.10642690699746418
EOS-3-21031,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nn5)n34)nn2)cn1,MOZMPFRCAPMEDH-UHFFFAOYSA-N,3,1,0.29,99,14,434.427,1.896,6,0.404,0.6,0.987,0.024158727983003222,0.012156466314851622,0.04132684531560551,0.05291789459255706,0.032639983551504353
EOS-3-21032,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ncccc5F)cnn4)n23)n1,OUCHEZLBCCOTKV-UHFFFAOYSA-N,3,1,0.4,20,873,433.382,2.333,5,0.398,0.63,0.924,0.5801350147351106,0.5039750531149338,0.2584898224933178,0.3177129737509424,0.4150782160235762
EOS-3-21033,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5cncn5C)c4)n23)nc1,HGMZFNCNCBTIDR-UHFFFAOYSA-N,3,1,0.389,46,62,432.875,3.523,5,0.392,0.69,1.0,0.5116167500514015,0.4236429991090398,0.41302001233637176,0.3689603180042492,0.4293100198752655
EOS-3-21034,Cc1ccc(OC2CC2)c(-c2nnc3cncc(-c4cnn(-c5ccc(C#N)cn5)c4)n23)c1,KDKKRKARAUYYSE-UHFFFAOYSA-N,3,1,0.281,74,246,434.463,3.76,6,0.414,0.74,0.999,0.04214927009800562,0.10366835720649716,0.42789219381810706,0.4820694263587143,0.26394481187033103
EOS-3-21036,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)n(C)n1,SHNHJOPULYRXLG-UHFFFAOYSA-N,3,1,0.301,86,812,449.482,2.753,6,0.403,0.63,0.991,0.10514186827496402,0.03736035912548832,0.051230210403673496,0.0387482009457885,0.05812015968747859
EOS-3-21037,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cn1,SKBGUWWOMTUHPF-UHFFFAOYSA-N,3,1,0.286,42,727,421.424,3.304,6,0.426,0.69,1.0,0.08780241244602838,0.051787060516756904,0.32101123980535945,0.3238040572955932,0.1961011925159345
EOS-3-21038,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)cc1,OMDQDLVVWXZQCJ-UHFFFAOYSA-N,3,1,0.31,38,193,421.424,3.304,6,0.426,0.69,1.0,0.13458638886985128,0.08479542183537797,0.2370725104516483,0.22779453087519705,0.17106221300801866
EOS-3-21039,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5nn[nH]n5)s4)n23)cc1,WLMAUOBQHHIHMX-UHFFFAOYSA-N,3,1,0.638,36,996,443.399,2.608,5,0.403,0.67,1.0,0.6856709615516414,0.6792629017887739,0.3246007813035433,0.3270937564251936,0.5041571002672881
EOS-3-21040,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,NWKBEBRYCGOPPT-UHFFFAOYSA-N,3,1,0.277,42,174,420.436,3.909,6,0.426,0.74,1.0,0.08120588033719416,0.03132924405455418,0.48492221232266464,0.44817010485915976,0.26140686039339317
EOS-3-21041,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cccnn6)n5)n34)cc2)nc1,HYGCNTJJZYBHFE-UHFFFAOYSA-N,3,1,0.457,71,415,461.449,2.469,6,0.361,0.66,1.0,0.49394318415461586,0.40056370365293675,0.09862243848947981,0.10007881570831334,0.27330203550133647
EOS-3-21042,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5nnc(F)c(F)n5)n4)n23)nn1,KDIIGLFIAAINBT-UHFFFAOYSA-N,3,1,0.354,53,587,435.358,1.389,5,0.395,0.61,0.764,0.5246299088479199,0.5356555410869714,0.033094030566787745,0.03636659584675485,0.28243651908710854
EOS-3-21043,CCn1c(-c2cn(C)nc2C)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,OHSFUJLMUKHPLA-UHFFFAOYSA-N,3,1,0.288,8,474,462.521,3.841,6,0.383,0.73,0.963,0.04645843328078953,0.019326982386402576,0.037009115208004935,0.058657734219724485,0.04036306627373038
EOS-3-21044,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)c1,IFRQKMTZKFBVFH-UHFFFAOYSA-N,3,1,0.529,11,159,446.873,4.662,5,0.377,0.75,1.0,0.7069940374203276,0.7270406414913303,0.792526214789939,0.8241810019875265,0.7626854739222809
EOS-3-21045,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cn2)no1,DSKUPNZLWQSSDM-UHFFFAOYSA-N,3,1,0.489,7,930,438.81,3.311,5,0.407,0.71,1.0,0.5860804605578781,0.6500496881639367,0.3618069357823316,0.38491193201288465,0.49571225412925773
EOS-3-21046,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cn2)no1,VIQYJFHEBZLWKE-UHFFFAOYSA-N,3,1,0.53,73,212,438.81,3.311,5,0.407,0.71,1.0,0.6915307381262422,0.7841734630936879,0.3392245219655952,0.39734253992186963,0.5530678157768487
EOS-3-21047,Cc1ocnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnc(F)n5)c4)n23)cc1,LLFXEBIPEDZSHU-UHFFFAOYSA-N,3,1,0.318,42,150,439.414,3.537,6,0.383,0.69,0.999,0.029778630662737303,0.18874648756082515,0.37710746350490026,0.33346754848879445,0.23227503255431428
EOS-3-21048,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1ccnc(F)c1,LSGLCKOLFCGQER-UHFFFAOYSA-N,3,1,0.429,95,235,434.41,2.882,5,0.379,0.7,0.807,0.41557295593173876,0.31925502021794255,0.39173120416695223,0.40668048797203754,0.38330991707216777
EOS-3-21049,Cc1cnc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)n5)cn4)n23)cc1C,SOTVUNMMXREDKO-UHFFFAOYSA-N,3,1,0.371,51,113,444.886,3.888,5,0.376,0.73,1.0,0.5348759509286547,0.5401103419916387,0.3134723459666918,0.29591871701733946,0.4210943389760811
EOS-3-21050,COc1cc(-c2nnc3cncc(Cc4ccc(-c5cc(C)n(C)n5)cn4)n23)ccc1F,ZWNFNFFBADQVJE-UHFFFAOYSA-N,3,1,0.382,14,81,429.459,3.634,5,0.424,0.65,1.0,0.3688232472071825,0.4098331163045713,0.5329826605441711,0.3973511068466863,0.42724753272565275
EOS-3-21051,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncccn1,FLXLKSTYIDOAKJ-UHFFFAOYSA-N,3,1,0.489,4,224,446.858,3.279,5,0.387,0.67,1.0,0.7159036392296622,0.6354002467274347,0.35060996504694675,0.28998183811938866,0.497973922280858
EOS-3-21052,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)c1,JGJWJDMJMPWWDV-UHFFFAOYSA-N,3,1,0.565,35,300,447.861,4.057,5,0.362,0.73,1.0,0.9379411966280584,0.8940871084915358,0.6344236172983346,0.6626173668699884,0.7822673223219794
EOS-3-21053,CC(C)(C)OC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccn5)n4)n23)cc1,JADZWUXCYSCUOI-UHFFFAOYSA-N,3,1,0.31,29,849,452.478,3.661,5,0.376,0.78,0.993,0.27157151668836954,0.10367692413131382,0.2053406209307107,0.0812230141868275,0.1654530189843054
EOS-3-21054,Cc1ncc(-c2ncc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nn1,DCLNZENFUYZAKE-UHFFFAOYSA-N,3,1,0.538,73,374,417.82,3.187,5,0.434,0.7,1.0,0.7696953601535192,0.8861884038105682,0.20887876087999452,0.27492118429168666,0.5349209272839421
EOS-3-21055,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cc2)ccn1,WEAIHLVJRGPAJO-UHFFFAOYSA-N,3,1,0.314,3,991,452.428,4.379,6,0.369,0.75,1.0,0.0230193269823864,0.26284182030018505,0.7905900897813721,0.8383164279350285,0.47869191624974305
EOS-3-21056,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)cc(F)n5)nn4)n23)cc1,SVXYBKVYDAYIIJ-UHFFFAOYSA-N,3,1,0.327,98,890,457.408,2.508,6,0.371,0.65,1.0,0.007436090740867658,0.1636196970735385,0.2917294907819889,0.3557329860873141,0.20462956617092729
EOS-3-21057,Cn1ncnc1-c1ccc(-c2nnc3cncc(Cc4cnc(C(F)F)cn4)n23)cc1F,NZTXQNQVUNPRBU-UHFFFAOYSA-N,3,1,0.356,85,362,437.389,3.044,5,0.417,0.61,1.0,0.3062418614214242,0.4412394626824755,0.579483928449044,0.5309865670618875,0.46448795490370776
EOS-3-21058,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)nc1,JWHMEPRIDRNDLZ-UHFFFAOYSA-N,3,1,0.329,86,790,448.425,3.301,6,0.4,0.63,1.0,0.3167363443218422,0.3527516962511137,0.342814063463779,0.3495990679185799,0.3404752929888287
EOS-3-21059,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccccn1,DZUTZTWBNBPDPK-UHFFFAOYSA-N,3,1,0.533,35,777,442.454,4.018,5,0.376,0.7,1.0,0.9099359194023713,0.7964670002056062,0.7013655678157769,0.5950842985401961,0.7507131964909877
EOS-3-21060,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ncccn4)cn3)n12,FNBWHQVOZWGOSN-UHFFFAOYSA-N,3,1,0.402,46,242,434.822,3.41,5,0.387,0.69,1.0,0.8622095812487149,0.7884226578027551,0.5699489411280927,0.5797495031183606,0.700082670824481
EOS-3-21061,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cc(F)ccn5)nc4C)n23)cn1,JTQCXGOPNRIGOV-UHFFFAOYSA-N,3,1,0.483,7,85,428.431,3.373,5,0.42,0.67,1.0,0.5578353094373244,0.5591289150846412,0.3025409499006237,0.2511137002261668,0.41765471866218906
EOS-3-21062,Cn1cc(Cl)c(COc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)n1,WIEPBMSSFZBPRH-UHFFFAOYSA-N,3,1,0.456,2,422,436.838,3.353,5,0.417,0.66,1.0,0.37576245630868343,0.44124802960729215,0.4605321773696114,0.5208090603796861,0.4495879309163182
EOS-3-21063,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)o1,WRIRRYKDLWGCMJ-UHFFFAOYSA-N,3,1,0.389,14,357,412.413,2.234,5,0.464,0.78,1.0,0.14827633472688645,0.055650743609074085,0.11764957850729901,0.06826982386402577,0.09746162017682133
EOS-3-21064,N#Cc1cn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)nn1,PEGIFXIYVCDULD-UHFFFAOYSA-N,3,1,0.553,4,32,429.831,2.871,5,0.418,0.67,1.0,0.4386351175382085,0.6792714687135906,0.501961825783017,0.5506133918168734,0.5426204509629224
EOS-3-21065,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncn4)n23)nc1,LUFRXDFGGSTEFQ-UHFFFAOYSA-N,3,1,0.396,53,128,431.847,2.974,5,0.413,0.61,0.999,0.46179151531766155,0.5401189089164553,0.21924473990816257,0.23074155301213076,0.36297417928860254
EOS-3-21066,Cc1ncc(-c2cnc(Oc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)c(F)c2)cn1,UIXVFMQJGKPTSK-UHFFFAOYSA-N,3,1,0.482,13,716,451.824,4.676,5,0.392,0.77,1.0,0.853231444040847,0.9139195394421219,0.8732009457884997,0.8545764512370639,0.8737320951271331
EOS-3-21067,Cc1nccc(-c2noc(COc3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)n2)n1,MWYMCBAVYBKETA-UHFFFAOYSA-N,3,1,0.453,7,85,429.375,2.53,5,0.409,0.69,1.0,0.7070026043451443,0.7085703515865944,0.25849838941813447,0.25719621684600097,0.48281689054896854
EOS-3-21068,Fc1cc(-c2nnc3cncc(Oc4cccc(-c5nccnn5)n4)n23)ccc1Cl,POIDNNFECHXSLT-UHFFFAOYSA-N,3,1,0.46,13,706,420.795,3.623,5,0.434,0.71,1.0,0.8416146939894456,0.9215355356041396,0.5794924953738606,0.6337039956137345,0.744086680145295
EOS-3-21069,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)c(F)n1,LLSIAHXCXGWUDE-UHFFFAOYSA-N,3,1,0.441,18,88,432.394,2.938,5,0.377,0.68,1.0,0.682561167843191,0.5634723459666918,0.5164570625728189,0.5006082516619834,0.5657747070111713
EOS-3-21070,FC(F)c1nccc(COc2cncc3nnc(-c4cccc(-c5nc[nH]n5)c4)n23)n1,KRTPYZRZJJMOGS-UHFFFAOYSA-N,3,1,0.484,47,506,421.371,2.883,5,0.444,0.68,1.0,0.4990405044205332,0.48518778699198134,0.4027654033308204,0.3054622712631074,0.4231139915016106
EOS-3-21071,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)cn1,HFDOUUJIWQNRRA-UHFFFAOYSA-N,3,1,0.558,84,884,449.877,4.001,5,0.389,0.73,1.0,0.5476235350558564,0.5832790761428278,0.8094715920773079,0.7945822767459393,0.6837391200054829
EOS-3-21072,Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5cnc(C)cn5)c4)n23)cc1,YOHKGEFABHHTBB-UHFFFAOYSA-N,3,1,0.523,89,97,427.443,3.978,5,0.392,0.73,1.0,0.8532400109656638,0.7363186210677816,0.592197244876979,0.4881262422040984,0.6674705297786306
EOS-3-21073,Cc1nnc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)n1C,VCLJOCLCETXLEP-UHFFFAOYSA-N,3,1,0.291,8,890,451.458,1.387,6,0.377,0.66,1.0,0.08314200534576109,0.055659310533890755,0.00340106915221712,0.002373038174216983,0.036143855801521484
EOS-3-21075,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)nc2)nc1,OGJGAZOFQXCPNZ-UHFFFAOYSA-N,3,1,0.338,42,977,461.464,4.215,6,0.384,0.74,1.0,0.352588924679597,0.3860684668631348,0.4316016722637242,0.410021588650538,0.39507016311424853
EOS-3-21076,Cc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)n2)ccn1,FLILNLCIJIXTIE-UHFFFAOYSA-N,3,1,0.506,4,401,447.861,4.323,5,0.396,0.73,1.0,0.8246264820779933,0.8807569734768008,0.7565879651840175,0.7483894181344665,0.8025902097183196
EOS-3-21077,NC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccnc(F)c5)n4)n23)cn1,OYTZZUOLKDURKQ-UHFFFAOYSA-N,3,1,0.356,82,155,413.376,1.943,5,0.441,0.76,0.996,0.19824720718250977,0.16738914399287233,0.18483140291960798,0.17099581934068947,0.1803658933589199
EOS-3-21078,CCc1nc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)ccc1-c1cnc(C)cn1,NCBBDXZFEWTBQD-UHFFFAOYSA-N,3,1,0.396,7,535,439.483,3.192,5,0.393,0.67,0.926,0.30364608320197384,0.11602186279213214,0.07086560208347611,0.03541566719210472,0.1314873038174217
EOS-3-21079,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)s4)n23)c1,YNOMXQIZKCSSHA-UHFFFAOYSA-N,3,1,0.282,99,866,441.484,2.506,6,0.41,0.61,1.0,0.04955966006442328,0.08139435268316085,0.02615482146528682,0.03542423411692139,0.048133267082448083
EOS-3-21080,CCn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cn1,FBDFOXMLTMFVSI-UHFFFAOYSA-N,3,1,0.573,15,545,429.459,3.83,5,0.391,0.72,1.0,0.4296398464807073,0.4005722705777534,0.4709324240970461,0.4259303680350901,0.4317687272976492
EOS-3-21081,Cc1cc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cncn5C)c4)n23)ccn1,KMEYIVUMOYNLQL-UHFFFAOYSA-N,3,1,0.243,86,953,435.455,2.538,6,0.415,0.62,1.0,0.0015420464670002057,0.00422349393461723,0.10114968131039682,0.09396203138921252,0.050219313275306696
EOS-3-21082,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nc(C)no5)c4)n23)cc1,RAAWCKNURXLBPB-UHFFFAOYSA-N,3,1,0.346,62,124,411.425,3.176,5,0.483,0.82,1.0,0.23684120348159823,0.0880337194160784,0.2621564663148516,0.1656928928791721,0.1881810705229251
EOS-3-21083,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccnc(C#N)c1,IHNQNDSKNJDXLP-UHFFFAOYSA-N,3,1,0.434,95,235,457.885,3.128,5,0.381,0.69,0.957,0.5297272291138373,0.45014049756699337,0.3917397710917689,0.4228291412514564,0.448609159756014
EOS-3-21084,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cn1,JONONKGRPWASRW-UHFFFAOYSA-N,3,1,0.282,99,286,423.404,1.019,6,0.403,0.67,1.0,0.015369063121102049,0.028562127338770477,0.011942293194434926,0.012422040984168324,0.017073881159618942
EOS-3-21085,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,WFACFGYROCVIHH-UHFFFAOYSA-N,3,1,0.46,55,85,416.832,3.271,5,0.43,0.75,1.0,0.48407408676581454,0.6304828318826674,0.4354139538071414,0.44486327187992597,0.4987085360838873
EOS-3-21086,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)cc2)cn1,OHGIIPPSAMSAOP-UHFFFAOYSA-N,3,1,0.3,64,495,447.437,3.906,6,0.4,0.66,1.0,0.1869817010485916,0.3139949283805085,0.3807655404016174,0.4382924405455418,0.3300086525940648
EOS-3-21087,Fc1cnnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)n1,YBQUVTRXIZIRRI-UHFFFAOYSA-N,3,1,0.489,73,756,453.8,2.944,5,0.396,0.62,1.0,0.897333972997053,0.960052429579878,0.43161023918854086,0.5344133369885546,0.7058524946885066
EOS-3-21088,Cn1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c2)n1,AVSIVVIWAHLZQZ-UHFFFAOYSA-N,3,1,0.561,43,258,452.4,3.638,5,0.388,0.7,1.0,0.8462236995408128,0.7714687135905696,0.8335103831128778,0.7968096771982729,0.8120031183606333
EOS-3-21089,Cc1cccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)n1,NISRPQKRBWXEKK-UHFFFAOYSA-N,3,1,0.598,59,294,430.418,4.414,5,0.411,0.76,1.0,0.8510554451374135,0.7543434308820506,0.8823504214927009,0.8476543759851963,0.8338509183743403
EOS-3-21090,COc1ccc(F)c(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)c1,GJGDQUXTTLENCL-UHFFFAOYSA-N,3,1,0.506,24,786,429.415,3.37,5,0.405,0.67,1.0,0.6706445754232061,0.6840946473853745,0.519626824754986,0.4259389349599068,0.5750762456308683
EOS-3-21091,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nn2)c1F,VLZIAVQUJDJECV-UHFFFAOYSA-N,3,1,0.27,39,872,454.404,3.169,6,0.399,0.64,0.823,0.02302789390720307,0.12296107189363306,0.5263175930368035,0.5858234528133781,0.3145325029127544
EOS-3-21092,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)c5ncc(Cl)nn5)cn4)n23)nc1,FVGHAWBEWJGDCP-UHFFFAOYSA-N,3,1,0.297,33,432,472.856,1.677,5,0.373,0.68,0.996,0.23390274826948118,0.20243643341786033,0.04757213350695634,0.037480296072921665,0.1303479028168049
EOS-3-21093,Fc1ncccc1-c1cnc(-c2nnc3cncc(-c4cnc(-c5ccccc5)nc4)n23)cn1,USQHZCDEHBALGN-UHFFFAOYSA-N,3,1,0.342,42,72,447.437,3.906,6,0.375,0.69,1.0,0.24479987663628264,0.3192635871427592,0.43161880611335757,0.4731683914741964,0.367212665341649
EOS-3-21094,Cn1nccc1-c1cc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)ncn1,YLACUZGNXAKJCI-UHFFFAOYSA-N,3,1,0.353,94,566,450.441,3.245,6,0.402,0.64,1.0,0.12067370296758276,0.20244500034267698,0.36181550270714824,0.397359673771503,0.27057346994722775
EOS-3-21095,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)c(F)c1,BBLCBCVURGZIOY-UHFFFAOYSA-N,3,1,0.307,39,972,450.441,3.245,6,0.402,0.64,0.999,0.17540778562127338,0.2574617915153177,0.2263381536563635,0.2928431910081557,0.23801273045027754
EOS-3-21096,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,WKHHYSYERNIYDQ-UHFFFAOYSA-N,3,1,0.519,56,19,416.832,3.271,5,0.43,0.71,1.0,0.8272736618463437,0.7884312247275718,0.317413131382359,0.33990987595092864,0.5682569734768007
EOS-3-21097,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5ccnn5C)c4)n23)cn1,UOGGEJKXUHSBRG-UHFFFAOYSA-N,3,1,0.483,55,97,432.875,3.523,5,0.392,0.72,1.0,0.5116253169762183,0.54974813241039,0.43542252073195803,0.3753940785415667,0.46804751216503326
EOS-3-21098,CCn1nc(-c2ccc(Cl)nc2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,HJKWBIXGMUYKBO-UHFFFAOYSA-N,3,1,0.425,22,316,437.294,4.439,5,0.387,0.78,1.0,0.23391131519429786,0.45014906449181,0.25152491261736687,0.4972328832842163,0.35820454389692274
EOS-3-21099,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)ccn2)cn1,HOCQPNGSAAEXJB-UHFFFAOYSA-N,3,1,0.543,24,16,447.861,4.323,5,0.396,0.69,1.0,0.7610684668631348,0.7410818312658488,0.7475412925776164,0.7404992803783154,0.7475477177712289
EOS-3-21100,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cn4)n23)cn1,GYUGPRXSORYJTO-UHFFFAOYSA-N,3,1,0.255,99,286,450.47,2.322,6,0.388,0.65,1.0,0.07286169556575972,0.03133781097937084,0.024021657185936535,0.02372181481735316,0.037985744637105065
EOS-3-21101,Cc1cc(Cl)nc(COc2cncc3nnc(-c4ccc(-c5nc(C)n(C)n5)cn4)n23)n1,DXXPCIOVAGFNGU-UHFFFAOYSA-N,3,1,0.375,31,105,448.878,2.621,5,0.373,0.76,1.0,0.3190322801727092,0.40058083750257006,0.028373654992803782,0.02307072853128641,0.19276437529984236
EOS-3-21102,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nccn5C)ncc4Cl)n23)cn1,AMBFJGNSQDHIHE-UHFFFAOYSA-N,3,1,0.467,55,85,432.875,3.523,5,0.419,0.65,1.0,0.6372335686382017,0.6354088136522514,0.3955263518607361,0.35917688986361457,0.506836406003701
EOS-3-21103,Cc1cc(-c2nnc3cncc(OCc4cncnc4-c4cnn(C)c4)n23)ccc1Cl,KWVHJYNUOOQUKI-UHFFFAOYSA-N,3,1,0.506,16,256,432.875,3.523,5,0.419,0.65,1.0,0.4865584949626482,0.6070351586594476,0.5229850592831198,0.49418305804948254,0.5276904427386745
EOS-3-21104,Fc1cncc(Cl)c1CCOc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,IEIVDFJFIJZZBX-UHFFFAOYSA-N,3,1,0.595,35,300,447.861,4.057,5,0.387,0.68,1.0,0.890266260023302,0.872549859502433,0.6496984442464533,0.6832550887533411,0.7739424131313823
EOS-3-21105,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)nc1,FZZRAAJSTRNXDR-UHFFFAOYSA-N,3,1,0.488,13,110,433.834,4.537,5,0.411,0.74,1.0,0.769703927078336,0.7714772805153862,0.685242615310808,0.7053748886299774,0.7329496778836269
EOS-3-21106,Cc1cnc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccc(F)cn5)c4)n23)cn1,GCGUHNOWOZGGCC-UHFFFAOYSA-N,3,1,0.467,7,486,448.849,3.718,5,0.375,0.69,0.999,0.6579141251456377,0.6645534918785553,0.4984322527585498,0.5006168185868001,0.5803791720923858
EOS-3-21107,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4OCC4CCC4)n23)cc1,JXUDWEMVJNNPJW-UHFFFAOYSA-N,3,1,0.375,0,21,461.953,5.04,5,0.417,0.84,0.997,0.3665530121307655,0.3671012953190323,0.23708107737646494,0.39149133027208555,0.34055667877458706
EOS-3-21108,Cc1ccc(-c2cnc(Oc3cncc4nnc(-c5cnc(C)nc5)n34)c(F)c2)nn1,MPSOQXRIQCYRHX-UHFFFAOYSA-N,3,1,0.359,51,875,415.392,2.982,5,0.436,0.76,0.998,0.5398019326982386,0.5219141936810363,0.24780686724693304,0.17637584812555684,0.3714747104379412
EOS-3-21109,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnccn6)n5)n34)cc2)c1,DLXBIBDHYPRAFI-UHFFFAOYSA-N,3,1,0.405,93,479,445.461,5.116,6,0.375,0.86,1.0,0.31145055170995817,0.47202042354876295,0.7776368994585704,0.8120673702967582,0.5932938112535124
EOS-3-21110,Cc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3cncc(F)c3)n12,XMPOECTVVYNVTL-UHFFFAOYSA-N,3,1,0.478,65,981,430.447,3.051,5,0.408,0.67,1.0,0.6458690288534028,0.5172452196559523,0.3355921458433281,0.2809265985881708,0.4449082482352135
EOS-3-21111,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)cc1,QLCPZLYHLRKCAC-UHFFFAOYSA-N,3,1,0.453,44,130,447.861,4.057,5,0.387,0.69,0.993,0.7783993557672538,0.7927318209855391,0.6468113905832362,0.7244619971215133,0.7356011411143856
EOS-3-21112,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,MRVCMJNMBSJREL-UHFFFAOYSA-N,3,1,0.803,48,378,407.861,3.426,4,0.529,0.9,1.0,0.9068946610924542,0.7178911657871291,0.6285809745733671,0.5540144609690906,0.7018453156055102
EOS-3-21113,Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccc(CO)cn5)c4)n23)cn1,CDDUXRZFWDFLOU-UHFFFAOYSA-N,3,1,0.462,7,99,426.44,2.418,5,0.436,0.67,1.0,0.42500514015489,0.2886111301487218,0.29892570762798987,0.19308135151805908,0.3014058323624152
EOS-3-21114,Cc1cccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)nc1,MRGUETVILYXKTI-UHFFFAOYSA-N,3,1,0.273,70,968,446.478,3.414,6,0.405,0.64,0.999,0.10259749160441368,0.06716469056267563,0.17188677952162293,0.16570145980398876,0.12683760537317526
EOS-3-21115,Cc1ccc(F)c(-n2cnc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)c2)c1,MYVUJKATRSEGKL-UHFFFAOYSA-N,3,1,0.296,94,902,449.453,3.944,6,0.402,0.67,0.989,0.04357137961757248,0.12655918031663355,0.47094099102186276,0.4789253649509972,0.2799992289767665
EOS-3-21116,Cn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ncn2)n1,NNMUJBLPCZCHII-UHFFFAOYSA-N,3,1,0.646,36,463,451.397,2.557,5,0.368,0.66,1.0,0.4226406689054897,0.6167928860256322,0.5297700637379207,0.43231272702350765,0.5003790864231376
EOS-3-21117,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)on4)n23)cn1,VNQAAYHFEGWQRZ-UHFFFAOYSA-N,3,1,0.5,7,85,433.363,1.448,5,0.415,0.65,1.0,0.4573110136385443,0.3860770337879515,0.07087416900829278,0.04913131382358989,0.24084838256459465
EOS-3-21118,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5cc(Cl)cnn5)n4)n23)nc1,YJOWZEIXWLLPLJ-UHFFFAOYSA-N,3,1,0.304,50,432,448.809,1.992,5,0.435,0.57,0.614,0.20934994174491126,0.21192858611472826,0.12039099444863272,0.17638441505037353,0.1795134843396614
EOS-3-21119,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)nn1,LLPCRSLOOIYHCU-UHFFFAOYSA-N,3,1,0.527,75,241,428.431,3.107,5,0.406,0.66,0.99,0.6549157014598039,0.6500582550887534,0.32101980673017616,0.2989685422520732,0.4812405763827016
EOS-3-21120,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(CCO)c5)n34)ccn2)cn1,QTNWYQUXLMIRPT-UHFFFAOYSA-N,3,1,0.495,75,99,457.469,3.205,5,0.397,0.72,1.0,0.6145911863477486,0.4994088821876499,0.6229182372695498,0.510700089096018,0.5619045987252416
EOS-3-21121,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(C#N)cc5C)c4)n23)nn1,DPMQZAMEUNXLDM-UHFFFAOYSA-N,3,1,0.419,53,168,435.451,3.106,5,0.409,0.65,1.0,0.46901343293811254,0.3140034953053252,0.3618240696319649,0.2899904050442053,0.35870785072990197
EOS-3-21122,CCc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1nccn1C,AIMBRAQTJMHQKT-UHFFFAOYSA-N,3,1,0.5,31,690,426.484,3.166,5,0.394,0.69,0.498,0.42264923583030634,0.20708827359331095,0.06070522925090809,0.046355630182989514,0.1841995922143787
EOS-3-21123,FC(F)c1nccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4Cl)n23)n1,QPMYIWBFBIZQDQ-UHFFFAOYSA-N,3,1,0.451,68,811,438.225,3.842,4,0.423,0.64,1.0,0.7070111712699609,0.7798471660612707,0.7040727160578438,0.740507847303132,0.7328597251730519
EOS-3-21124,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5ncccc5F)c4)n23)cc1,SFLQDMRBOVYBFQ-UHFFFAOYSA-N,3,1,0.286,10,356,454.404,3.169,6,0.399,0.63,1.0,0.0038294153930505106,0.11603042971694881,0.36928586114728257,0.5006253855116167,0.24744277294222466
EOS-3-21125,Fc1c(Cl)ccnc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,HVIVAANJYSXIEG-UHFFFAOYSA-N,3,1,0.554,1,666,432.846,4.62,5,0.403,0.75,1.0,0.8320368720444109,0.8612757864436982,0.8244637105064766,0.842222945651429,0.8399998286615036
EOS-3-21126,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5csc(C)n5)cnc4C)n23)cn1,DQGZLISQYFSIKN-UHFFFAOYSA-N,3,1,0.506,4,205,429.509,4.209,5,0.413,0.75,1.0,0.4317130422863409,0.3718388047426496,0.28822561853197176,0.17100438626550613,0.3156954629566171
EOS-3-21127,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cnccn5)n4)n23)cc1,SDVILHDRGNEKCR-UHFFFAOYSA-N,3,1,0.307,8,890,422.416,1.624,6,0.416,0.64,1.0,0.006887807552600918,0.017690699746419025,0.044248166678089236,0.04913988074840655,0.029491638681378933
EOS-3-21129,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)cn4)n23)cn1,ZAEOMPAAYGIGJE-UHFFFAOYSA-N,3,1,0.447,7,535,426.4,1.111,5,0.416,0.64,1.0,0.4179202933315057,0.19318415461585908,0.03570694263587143,0.01685114111438558,0.16591563292440545
EOS-3-21130,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cncnn1,RXBRBLDGMZIJSR-UHFFFAOYSA-N,3,1,0.56,4,712,434.822,3.41,5,0.414,0.64,1.0,0.7640497566993352,0.7964755671304229,0.6907768487423754,0.7244705640463299,0.7439431841546158
EOS-3-21131,Fc1cncc(Cl)c1COc1cncc2nnc(-c3cncc(-c4ncccn4)c3)n12,ARXGWIVIERGVKG-UHFFFAOYSA-N,3,1,0.476,2,491,434.822,3.41,5,0.414,0.64,1.0,0.7980347474470564,0.7543519978068672,0.6018864368446303,0.6307312727023507,0.6962511137002262
EOS-3-21132,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncnc4F)n23)ccc1F,SDJJNRNKLWKGEX-UHFFFAOYSA-N,3,1,0.54,26,125,434.41,2.882,5,0.379,0.67,1.0,0.859836543074498,0.7132735933109451,0.6138544308135152,0.5733842779795765,0.6900872112946338
EOS-3-21133,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5ncon5)c4)n23)cc1,QMVZNJSHTYIYGY-UHFFFAOYSA-N,3,1,0.5,89,731,462.857,2.828,5,0.378,0.68,1.0,0.6706531423480228,0.46778836268932905,0.2882341854567884,0.21627201699677884,0.4107369268727298
EOS-3-21134,Cc1ccnc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)cn2)n1,AFVBEVYNEQHVJS-UHFFFAOYSA-N,3,1,0.5,16,863,460.885,3.071,5,0.407,0.68,0.999,0.8790350215886505,0.8455040778562127,0.38077410732643413,0.3658676581454321,0.6177952162291824
EOS-3-21135,Cc1[nH]ncc1-n1nnnc1Cn1nnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,BLBJIAKAUGKTAR-UHFFFAOYSA-N,3,1,0.326,22,221,460.853,1.154,6,0.395,0.65,0.913,0.0766739771091769,0.25747035844013433,0.004617572476183949,0.016859708039202247,0.08890540401617435
EOS-3-21136,Cc1cccc(-c2nnccc2-c2nnc3cncc(-c4cnn(-c5cnn(C)c5)c4)n23)n1,UZSXUOQBKYYIDN-UHFFFAOYSA-N,3,1,0.248,99,151,435.455,2.538,6,0.415,0.61,0.974,0.014538071413885271,0.006091083544650812,0.1346377904187513,0.1180265231992324,0.06832336714412995
EOS-3-21137,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2)cs1,RNRRJZOPPIDMOP-UHFFFAOYSA-N,3,1,0.467,49,367,449.927,4.288,5,0.382,0.77,0.997,0.5773850318689603,0.6695051744225893,0.30254951682544035,0.31479165238845863,0.4660578438763622
EOS-3-21138,COc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(F)cn5)n34)n2)cn1,FLNGMFNQAYAOGS-UHFFFAOYSA-N,3,1,0.389,46,128,436.432,2.826,5,0.396,0.69,1.0,0.4362706462888082,0.48519635391679805,0.11154992803783154,0.09807415530121308,0.2827727708861627
EOS-3-21139,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)cc2F)s1,AUDAILFBNCRXFZ-UHFFFAOYSA-N,3,1,0.576,72,386,434.46,3.169,5,0.401,0.67,1.0,0.7952761976560894,0.8316256596532109,0.23373140977314782,0.2365841957370982,0.5243043657048865
EOS-3-21140,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)ccn2)s1,VJAVQMTZHUCVRW-UHFFFAOYSA-N,3,1,0.539,75,241,434.46,3.169,5,0.401,0.67,1.0,0.6489188540881365,0.6021605784387636,0.12874374614488382,0.13786752107463504,0.37942267493660475
EOS-3-21141,COc1cc(-c2nc(C)nn2C)ccc1-c1nnc2cncc(OCc3cc(C)ncn3)n12,YYTCWBYQNANGMM-UHFFFAOYSA-N,3,1,0.453,36,248,443.471,2.581,5,0.39,0.68,1.0,0.2202213693372627,0.10033582345281337,0.08676581454321157,0.03117503940785416,0.10962451168528545
EOS-3-21142,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5nncs5)cn4)n23)cc1,ALMDFYCMDXUZLA-UHFFFAOYSA-N,3,1,0.584,51,946,422.861,3.332,5,0.424,0.69,1.0,0.7754523336303201,0.9139281063669386,0.2337399766979645,0.32381262422040985,0.5617332602289082
EOS-3-21143,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)ccn1,OTIVJHHPUJQVQF-UHFFFAOYSA-N,3,1,0.63,11,503,430.418,4.148,5,0.377,0.75,1.0,0.6767356589678569,0.6551555753546707,0.8351809334521281,0.8342899732711946,0.7503405352614625
EOS-3-21144,OCc1c(Cl)cccc1-c1nnc2cncc(-c3cccnc3-c3ccc(F)cc3)n12,HUSYVQBWGMGCFY-UHFFFAOYSA-N,3,1,0.338,83,533,431.858,4.805,5,0.442,0.74,0.999,0.3167449112466589,0.5681584538414091,0.9122575560276883,0.9434411623603591,0.685150520869029
EOS-3-21145,N#Cc1ccc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,HNTIHJXJWOHWAD-UHFFFAOYSA-N,3,1,0.44,0,862,408.465,3.34,5,0.528,0.86,1.0,0.3341529024741279,0.2426581454321157,0.3692944280720992,0.4323212939483243,0.34460669248166675
EOS-3-21146,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cn1,QTNJQTZJEFBTFE-UHFFFAOYSA-N,3,1,0.522,87,579,416.42,2.742,5,0.42,0.76,1.0,0.697544719347543,0.6119097388801316,0.3580974573367144,0.3117075594544582,0.4948148687547118
EOS-3-21148,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(Cl)n5)ns4)n23)cc1,LQGQRGVNVSFEDZ-UHFFFAOYSA-N,3,1,0.369,74,837,466.889,3.524,5,0.403,0.71,1.0,0.2228599821807964,0.32388972654375986,0.2515334795421835,0.2867264066890549,0.2712523987389487
EOS-3-21149,CCn1c(C)nc(-c2ncc(C)cn2)c1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,CRDRFYXMAIWQIJ-UHFFFAOYSA-N,3,1,0.395,50,155,430.903,4.402,5,0.42,0.74,0.999,0.2688043999725858,0.3767819203618669,0.09376499211842917,0.18483140291960798,0.23104567884312247
EOS-3-21150,Cc1cc(-c2nnn(C)n2)c(F)cc1COc1cncc2nnc(-c3ccc(F)nc3)n12,BNPTWKHYNPEIEP-UHFFFAOYSA-N,3,1,0.477,36,258,435.398,2.542,5,0.388,0.69,1.0,0.5065965321088343,0.4994174491124666,0.42049893770132274,0.39736824069631965,0.4559702899047358
EOS-3-21151,Cc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccnc(Cl)c4)n23)nn1,XKNGIUGFPGJFRB-UHFFFAOYSA-N,3,1,0.4,53,587,431.847,2.974,5,0.387,0.69,0.928,0.43382907271605786,0.4946199712151326,0.16535878281132205,0.19832430950585977,0.3230330340620931
EOS-3-21152,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nn5)cn4)n23)c1,AHZNWVCOSZQYQH-UHFFFAOYSA-N,3,1,0.44,46,915,452.812,3.549,5,0.399,0.66,0.984,0.795284764580906,0.7586011925159345,0.7374066205194983,0.7688386676718525,0.7650328113220479
EOS-3-21153,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cn2)ccn1,VPGIUWFHSXIAJP-UHFFFAOYSA-N,3,1,0.305,30,945,443.474,4.076,6,0.401,0.67,0.981,0.17541635254609006,0.08480398876019464,0.32817318895209374,0.3626550613391817,0.23776214789939004
EOS-3-21154,Cc1cc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n[nH]1,FJMUORWNEZVANL-UHFFFAOYSA-N,3,1,0.484,20,846,432.875,3.555,5,0.437,0.65,1.0,0.5948701254197793,0.65006682201357,0.39174833801658554,0.41003015557535466,0.5116788602563224
EOS-3-21155,Cc1nc(-c2ccc[nH]2)cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)n1,RCNLRUPWFNRODR-UHFFFAOYSA-N,3,1,0.423,18,531,432.875,3.555,5,0.437,0.65,0.97,0.6285381399492838,0.5309008978137207,0.2989342745528065,0.3399184428757453,0.4495729387978891
EOS-3-21156,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)s1,KHOQGEMFYUKHTK-UHFFFAOYSA-N,3,1,0.477,59,109,437.435,3.87,5,0.412,0.72,1.0,0.5919402371324789,0.5539202247961071,0.5795010622986773,0.5921030087039956,0.5793661332328147
EOS-3-21157,FC(F)c1nccc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)n1,JAXNROVJHHEJRI-UHFFFAOYSA-N,3,1,0.506,24,199,438.423,3.616,5,0.396,0.69,0.999,0.4890943047083819,0.4946285381399493,0.39915016105818657,0.3054708381879241,0.42208596052361047
EOS-3-21158,Fc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)c1,XRAXXWMAQSZVLF-UHFFFAOYSA-N,3,1,0.316,86,790,448.425,3.301,6,0.4,0.62,1.0,0.3010160372832568,0.4051298745802207,0.4244482900418066,0.4448718388047426,0.3938665101775067
EOS-3-21160,Fc1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cc1,BVNXYOVUTQWCJA-UHFFFAOYSA-N,3,1,0.313,39,596,448.425,3.301,6,0.4,0.62,0.924,0.23947981632513193,0.30882907271605786,0.36183263655678155,0.4481786717839764,0.3395800493454869
EOS-3-21161,Cc1csc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)nc2)n1,NBZUMTZRAOBHMK-UHFFFAOYSA-N,3,1,0.289,38,725,451.519,4.081,6,0.398,0.71,1.0,0.05438283873620725,0.07091700363237612,0.17834624083339046,0.15498423685833734,0.1146575800150778
EOS-3-21162,N#Cc1ncncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)no1,JESSRRHNIUQEHS-UHFFFAOYSA-N,3,1,0.406,7,128,431.803,2.735,5,0.407,0.66,1.0,0.5165684325954355,0.5634809128915085,0.3467034473305462,0.37879514769378386,0.4513869851278185
EOS-3-21163,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,MHTLAMVUSVZKKD-UHFFFAOYSA-N,3,1,0.324,69,220,444.502,4.799,6,0.38,0.82,1.0,0.10997361387156467,0.07782194503461037,0.3467120142553629,0.3973768076211363,0.23297109519566855
EOS-3-21164,c1ccc(-c2cncnc2-c2nnc3cncc(-c4nccc(-c5cccs5)n4)n23)cc1,VHZRIKGDEWHUAU-UHFFFAOYSA-N,3,1,0.259,32,342,434.488,4.434,6,0.405,0.76,0.866,0.12924919470906723,0.11603899664176547,0.21565519840997877,0.30547940511274074,0.19160569871838806
EOS-3-21165,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(OC)nn5)ccn4)n23)cn1,NRNCFQLVTFTUNA-UHFFFAOYSA-N,3,1,0.454,4,205,469.465,1.986,5,0.376,0.71,1.0,0.3917055033925022,0.1843430882050579,0.12039956137344938,0.039947570420121994,0.1840989308477829
EOS-3-21166,N#Cc1cc(-c2nnc3cncc(OCc4ccnc(-c5nccnn5)c4)n23)ccc1Cl,MIVZUMNATVWJBV-UHFFFAOYSA-N,3,1,0.523,16,256,441.842,3.142,5,0.404,0.62,1.0,0.8462322664656295,0.9159756013981222,0.6109416763758482,0.6248886299773834,0.7495095435542458
EOS-3-21167,Cc1nc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)ccc1-c1nncn1C,RYJGEAUDQVUWQP-UHFFFAOYSA-N,3,1,0.43,36,910,450.865,3.662,5,0.403,0.67,0.999,0.594878692344596,0.5930111027345624,0.4742392570762799,0.5175193612500857,0.544912103351381
EOS-3-21169,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-c5csnn5)cn4)n23)nc1,XKQBCLZZPRVCLK-UHFFFAOYSA-N,3,1,0.434,33,53,459.495,2.081,5,0.388,0.65,1.0,0.284918785552738,0.09719176204509629,0.07088273593310945,0.03543280104173806,0.12210652114317044
EOS-3-21170,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)c(-c2cccnn2)n1,HXOKWUYKQJQSSJ-UHFFFAOYSA-N,3,1,0.264,70,714,446.478,3.414,6,0.405,0.63,1.0,0.04956822698923994,0.04818038516893976,0.24428586114728257,0.2162805839215955,0.13957876430676444
EOS-3-21171,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)nn1,ZQAAMUYSKCXSTE-UHFFFAOYSA-N,3,1,0.646,19,73,447.861,4.057,5,0.387,0.7,1.0,0.914382153382222,0.9433640600370091,0.6635939962990884,0.7139332465218285,0.808818364060037
EOS-3-21172,Cc1nccnc1-c1nccnc1-c1nnc2cncc(-c3cn(-c4ccccc4)nn3)n12,QGMOTMQEFKDHKW-UHFFFAOYSA-N,3,1,0.29,39,114,433.439,2.594,6,0.412,0.62,0.04,0.000993763278733466,0.0038379823178671785,0.03439620313892125,0.051632855870056886,0.022715201151394693
EOS-3-21173,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cnn2)nn1,NMMVGCKGLCWZFW-UHFFFAOYSA-N,3,1,0.541,36,659,449.837,3.113,5,0.398,0.63,1.0,0.8394558289356453,0.9433726269618258,0.39175690494140225,0.4606521143170448,0.6588093687889796
EOS-3-21174,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccn2)cn1,MPFCDXXAMWZGPN-UHFFFAOYSA-N,3,1,0.467,7,99,432.394,3.204,5,0.417,0.63,1.0,0.7812178740319375,0.6119183058049482,0.6344321842231513,0.5637550544856418,0.6478308546364197
EOS-3-21175,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c(F)c1,QUJDABYMLPXIHP-UHFFFAOYSA-N,3,1,0.358,32,20,448.465,4.455,6,0.396,0.74,0.999,0.2529470221369337,0.3140120622301419,0.6962511137002262,0.6801452950448907,0.4858388732780481
EOS-3-21176,Cc1cnc(-c2ccnc(-c3nnc4cncc(Cc5cccc(Cl)c5F)n34)c2)cn1,AEAYHQYDHMXNIS-UHFFFAOYSA-N,3,1,0.347,85,674,431.862,4.335,5,0.421,0.68,0.989,0.3141062984031252,0.32842162977177713,0.737415187444315,0.7663371256253855,0.5365700603111507
EOS-3-21177,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)nc2)nn1,LIDSVWSASUPACP-UHFFFAOYSA-N,3,1,0.263,70,165,433.439,2.501,6,0.412,0.63,0.765,0.011411143855801522,0.009355081899801247,0.20888732780481117,0.19833287643067646,0.1069966074977726
EOS-3-21178,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nn1,MLPQMCFZTZFCFG-UHFFFAOYSA-N,3,1,0.267,86,892,433.439,2.501,6,0.412,0.63,0.669,0.07469501747652663,0.03134637790418751,0.06878383935302584,0.08291926530052772,0.06443612500856692
EOS-3-21179,Cc1cccc(-c2ncncc2-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)n1,CIKPWUZBYSPNLJ-UHFFFAOYSA-N,3,1,0.41,58,779,463.864,3.156,5,0.374,0.7,0.997,0.6118583373312316,0.6841032143101912,0.22271434445891303,0.27199129600438626,0.44766679802618053
EOS-3-21180,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)c4)n23)nc1,WTUVKPYHOAJRNF-UHFFFAOYSA-N,3,1,0.488,73,196,451.277,3.924,5,0.396,0.67,1.0,0.864377013227332,0.855064765951614,0.4709495579466795,0.5669333835926256,0.6893311801795627
EOS-3-21181,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccn1,PUTLXSHCJFILCE-UHFFFAOYSA-N,3,1,0.489,75,583,448.849,3.452,5,0.389,0.66,0.944,0.8116218902062915,0.7756408059762867,0.4096960455075046,0.4670002056061956,0.6159897368240697
EOS-3-21182,Fc1cccc(F)c1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1,NXQHFZTWHBDMDO-UHFFFAOYSA-N,3,1,0.306,10,952,455.392,2.564,6,0.394,0.62,1.0,0.03918511411143856,0.21684600095949558,0.21240833390446165,0.3238211911452265,0.19806516003015556
EOS-3-21183,Fc1cc(Cl)cc(-c2nnc3cncc(OCc4nnc(-c5cccnc5)s4)n23)c1,IICWTXFMBLHEES-UHFFFAOYSA-N,3,1,0.658,4,534,439.863,4.076,5,0.407,0.7,1.0,0.44569426358714276,0.6399150161058187,0.4168665615790556,0.5540230278939072,0.5141247172914811
EOS-3-21184,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)n(C)n1,XOIVGWAGLYEXCG-UHFFFAOYSA-N,3,1,0.457,4,391,449.877,4.267,5,0.398,0.77,1.0,0.529735796038654,0.6304913988074841,0.6746624631622233,0.6682629703241725,0.6257881570831334
EOS-3-21185,CCc1nc(-c2nnc3cncc(OCc4cccc(C)n4)n23)ccc1-c1cnc(C)cn1,WOZDZVOINKUKAN-UHFFFAOYSA-N,3,1,0.402,7,690,438.495,3.797,5,0.394,0.72,0.984,0.2932629703241724,0.13686519087108492,0.1287523130697005,0.07195360153519292,0.15770851895003768
EOS-3-21186,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnnc5)s4)n23)cc1,NJFMDWXMADTOKM-UHFFFAOYSA-N,3,1,0.5,89,398,470.518,3.176,6,0.385,0.72,1.0,0.24766979644986636,0.09105784387636214,0.077547803440477,0.08635460215201152,0.12565751147967924
EOS-3-21187,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2)n1,DRBDIQWTPFVJMR-UHFFFAOYSA-N,3,1,0.453,18,367,434.847,3.215,5,0.397,0.71,0.999,0.5218285244328695,0.5356641080117881,0.15913919539442123,0.17639298197519018,0.34825620245356725
EOS-3-21188,Cc1cnc(-c2ncc(F)cc2-c2nnc3cncc(-c4cnc(-c5ccccc5)nc4)n23)cn1,FYIAXMRCLLRTPS-UHFFFAOYSA-N,3,1,0.342,42,106,461.464,4.215,6,0.384,0.72,1.0,0.3239325611678432,0.36710986224384895,0.3732609142622164,0.4004951682544034,0.366199626482078
EOS-3-21189,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)ncc5C)cn4)n23)cn1,FSRXFLWLPOEFMS-UHFFFAOYSA-N,3,1,0.512,4,205,423.48,4.148,5,0.419,0.78,1.0,0.42737817832910696,0.31402062915495854,0.5019703927078336,0.3334761154136111,0.39421132890137756
EOS-3-21190,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)nc1,FZRMSSQKULBKLW-UHFFFAOYSA-N,3,1,0.273,86,953,419.412,2.286,6,0.423,0.68,0.989,0.0002570077445000343,0.003846549242683846,0.1038139949283805,0.13127098896580083,0.0597971352203413
EOS-3-21191,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1ncnn1C,XVMOTVUINWPRRP-UHFFFAOYSA-N,3,1,0.542,15,361,429.444,2.007,5,0.383,0.66,1.0,0.39396717154410255,0.13315571242546775,0.13464635734356795,0.07591152080049346,0.1844201905284079
EOS-3-21192,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ccc4Cl)n23)cc1,UVUDZUOTBZIQRM-UHFFFAOYSA-N,3,1,0.608,43,372,450.289,4.529,5,0.389,0.72,1.0,0.9212870947844561,0.9543811253512439,0.8588684805702145,0.9024569940374203,0.9092484236858337
EOS-3-21193,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccnc5Cl)n34)ccn2)cn1,MSSQDUGHUAESTL-UHFFFAOYSA-N,3,1,0.466,75,441,430.859,3.579,5,0.39,0.71,0.999,0.7342282914125146,0.6500753889383867,0.4777345624014804,0.4416935096977589,0.5759329381125351
EOS-3-21194,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cncnc4)n23)n1,ZGWJTTFFDVPXAD-UHFFFAOYSA-N,3,1,0.426,31,330,429.419,2.502,5,0.401,0.64,1.0,0.6856795284764581,0.5083184839969844,0.1783548077582071,0.17935713796175726,0.3879274895483517
EOS-3-21195,Cc1cnnc(COc2cncc3nnc(-c4ccc(F)c(-c5cnc(F)cn5)n4)n23)c1,UQBYWAHMBIHDDG-UHFFFAOYSA-N,3,1,0.378,46,128,433.382,2.599,5,0.412,0.63,1.0,0.5218370913576863,0.5172537865807689,0.28444760468782126,0.29285175793297236,0.4040975601398122
EOS-3-21196,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nn2)nn1C,GHIXIGJXYFYJET-UHFFFAOYSA-N,3,1,0.284,99,14,450.47,2.148,6,0.396,0.63,0.187,0.09513570008909601,0.05179562744157357,0.016765471866218903,0.011111301487218148,0.04370202522102666
EOS-3-21197,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)c2)nn1,ZSPSGRQJKIOJPP-UHFFFAOYSA-N,3,1,0.282,98,63,433.439,2.501,6,0.412,0.64,0.614,0.016200054828318825,0.0072990199438009735,0.1115584949626482,0.15785415667192104,0.07322793160167226
EOS-3-21198,Fc1cnc(-c2ncc(F)c(COc3cncc4nnc(-c5ccc(F)nc5)n34)n2)nc1,GIAYHVWMFJZYSD-UHFFFAOYSA-N,3,1,0.443,73,775,437.345,2.43,5,0.382,0.67,0.996,0.7313498046741141,0.8087348365430745,0.3210283736549928,0.3788037146186005,0.5599791823726955
EOS-3-21199,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)cc2F)cn1,RCMHNCUNVYVGNP-UHFFFAOYSA-N,3,1,0.619,87,796,432.484,4.379,5,0.396,0.77,1.0,0.9428243437735591,0.9177746556096223,0.5365379343430882,0.497241450209033,0.7235945959838257
EOS-3-21200,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)nc(C)n4)n23)n(C)n1,CHLTZZGOJHIGST-UHFFFAOYSA-N,3,1,0.375,31,662,447.89,3.226,5,0.378,0.76,0.999,0.2635700089096018,0.29408539510657256,0.15584949626482078,0.13787608799945172,0.2128452470701117
EOS-3-21201,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)cs1,NNJBNLQHWOSYFV-UHFFFAOYSA-N,3,1,0.489,97,606,432.484,4.645,5,0.402,0.8,1.0,0.5691950517442259,0.5591374820094579,0.5952813378109794,0.4881348091289151,0.5529371701733946
EOS-3-21202,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6conn6)cc5)n34)nc2)ccn1,SXOCUAUVJGXPCZ-UHFFFAOYSA-N,3,1,0.27,9,339,432.447,4.274,6,0.406,0.75,1.0,0.0747035844013433,0.04462511137002262,0.5329912274689877,0.507401823041601,0.28993043657048867
EOS-3-21203,CC#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)cn1,HUDJQYBKIFBVTL-UHFFFAOYSA-N,3,1,0.384,46,242,438.426,3.128,5,0.386,0.67,1.0,0.8009903365088068,0.6743026523199233,0.5164656294976355,0.4132684531560551,0.6012567678706051
EOS-3-21204,COc1ccccc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4ncon4)cn3)n12,JTBNSRRQLRWNME-UHFFFAOYSA-N,3,1,0.353,64,449,449.434,3.369,6,0.386,0.66,1.0,0.3266140086354602,0.11018778699198135,0.1653673497361387,0.154992803783154,0.18929048728668357
EOS-3-21205,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nc2C)n1,KPPWDMSPOSNVFI-UHFFFAOYSA-N,3,1,0.385,53,587,446.862,2.678,5,0.397,0.63,0.999,0.4690219998629292,0.5039836200397505,0.06466314851620862,0.0739582619422932,0.2779067575902954
EOS-3-21206,Cc1cc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ccn2)nc(C)n1,QDKCKDBONXFPCW-UHFFFAOYSA-N,3,1,0.435,75,99,445.874,3.283,5,0.375,0.67,1.0,0.521845658282503,0.5591460489342746,0.15914776231923788,0.14238229045301898,0.3456304399972586
EOS-3-21207,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)nc(C)n2)nn1,SYHMLVJHNMUOGG-UHFFFAOYSA-N,3,1,0.547,19,531,458.913,3.93,5,0.377,0.71,1.0,0.6825697347680076,0.5976201082859297,0.2771999862929203,0.3054879720375574,0.46571945034610374
EOS-3-21208,Fc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ncn(-c4ccccc4F)n3)n12,AKFDQJURJUGWHL-UHFFFAOYSA-N,3,1,0.337,22,681,425.349,4.255,5,0.403,0.73,0.97,0.08542080734699473,0.38608560071276815,0.9296569803303406,0.9418305804948256,0.5857484922212323
EOS-3-21209,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)ncn2)n1,PNPHCIMDEKCXGJ-UHFFFAOYSA-N,3,1,0.291,76,880,434.427,1.896,6,0.404,0.64,0.124,0.04215783702282229,0.012165033239668289,0.029547323692687272,0.04765780275512302,0.032881999177575214
EOS-3-21210,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nccnn6)n5)n34)nc2)cc1,RWUVZBLUFWEZQV-UHFFFAOYSA-N,3,1,0.297,30,301,429.447,3.767,6,0.417,0.66,0.999,0.10260605852923035,0.09417620450962923,0.2692755808375026,0.34631793571379615,0.20309394489753957
EOS-3-21211,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccn1,GJOWFCRPNUZFST-UHFFFAOYSA-N,3,1,0.536,16,577,435.85,3.958,5,0.415,0.67,1.0,0.7005003084092934,0.6213076554040162,0.7166575286135289,0.7270920430402302,0.6913893838667673
EOS-3-21212,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnn6)cn5)n34)cc2)nn1,DFITYIMCFQZEEN-UHFFFAOYSA-N,3,1,0.306,98,167,433.439,2.501,6,0.412,0.62,1.0,0.052695154547323694,0.04097560139812213,0.16537591666095539,0.1737543691316565,0.10820026043451444
EOS-3-21213,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,QAIOCZUFCQBALE-UHFFFAOYSA-N,3,1,0.321,86,790,433.439,2.501,6,0.412,0.62,1.0,0.037591666095538344,0.048188952093756426,0.17526214789939004,0.16835720649715577,0.10734999314646015
EOS-3-21214,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,XNFGRSZPRVXVFT-UHFFFAOYSA-N,3,1,0.307,86,443,433.439,2.501,6,0.412,0.62,1.0,0.0287420327599205,0.048197519018573096,0.15291960797752038,0.16836577342197245,0.09955623329449662
EOS-3-21215,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncnc5F)c4)n23)c(F)c1,DTCKIISWEHJLLK-UHFFFAOYSA-N,3,1,0.505,59,577,435.369,3.64,5,0.389,0.67,1.0,0.8643855801521486,0.8087434034678912,0.8929048728668357,0.8780583921595504,0.8610230621616065
EOS-3-21216,c1ccc(-c2cncnc2-c2nnc3cncc(-c4cnc(-c5cccnc5)cn4)n23)cc1,XQSXFZXUIXJQOL-UHFFFAOYSA-N,3,1,0.273,94,72,429.447,3.767,6,0.417,0.67,0.994,0.107489205674731,0.0595058597765746,0.3281817558769104,0.39738537454595296,0.22314054896854224
EOS-3-21217,CCn1c(-c2cnc(F)cn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,RXFZNXGDJYQCHR-UHFFFAOYSA-N,3,1,0.309,86,754,465.456,3.123,6,0.377,0.68,0.939,0.10515043519978069,0.16739771091768899,0.0687924062778425,0.1289664861901172,0.11757675964635735
EOS-3-21218,Cn1nnnc1-c1cc(F)nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,QOSQQBRFRJGNSZ-UHFFFAOYSA-N,3,1,0.411,36,728,438.814,2.143,5,0.38,0.66,1.0,0.41336268932903847,0.6070437255842642,0.1623089575765883,0.24516825440339934,0.3569709067233226
EOS-3-21219,Cc1nccc(CCOc2cncc3nnc(-c4cnnc(-c5ncccc5F)c4)n23)n1,HKYKOOXFTXSTHN-UHFFFAOYSA-N,3,1,0.449,87,778,429.419,2.502,5,0.401,0.66,0.998,0.6489274210129532,0.5781046535535604,0.15292817490233707,0.15240559248852031,0.3830914604893428
EOS-3-21220,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cc(C)ccc5C)cn4)n23)c(F)c1,GKNMSAUBHOJNLI-UHFFFAOYSA-N,3,1,0.4,62,310,468.492,4.761,5,0.4,0.85,1.0,0.6915393050510589,0.489891028716332,0.742675279281749,0.5797580700431773,0.6259659207730792
EOS-3-21221,Cc1nc(-c2ccnnc2)cc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)n1,BIFFZRVOUHZFDC-UHFFFAOYSA-N,3,1,0.272,86,812,447.466,2.809,6,0.401,0.62,1.0,0.11265506133918168,0.02615482146528682,0.1316050990336509,0.10855150435199781,0.0947416215475293
EOS-3-21222,Cc1cccnc1-c1nccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cn4)n23)n1,OEZFNJCCLQADDM-UHFFFAOYSA-N,3,1,0.287,70,652,447.466,2.809,6,0.401,0.62,0.974,0.064937290110342,0.040984168322938795,0.05869200191899116,0.05576211363169077,0.055093893495990684
EOS-3-21223,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)cn2)nn1,JNNMGCJIXIYEEB-UHFFFAOYSA-N,3,1,0.306,99,14,447.466,2.809,6,0.401,0.62,0.999,0.0854293742718114,0.04463367829483929,0.10911692138989788,0.10431087656774723,0.08587271263107395
EOS-3-21224,Fc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)c2)c1,DWVJUYHAEKXZQU-UHFFFAOYSA-N,3,1,0.468,87,419,432.394,2.938,5,0.403,0.64,1.0,0.6579226920704544,0.6645620588033719,0.5229936262079364,0.5506219587416901,0.5990250839558633
EOS-3-21225,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)n2)c1,PYOTYSZVPMZFQL-UHFFFAOYSA-N,3,1,0.307,10,871,440.467,4.302,6,0.406,0.7,0.381,0.009954766636967994,0.1265677472414502,0.4427900760742924,0.5443595367007059,0.2809180316633541
EOS-3-21226,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cncc(Cl)n5)n4)n23)cc1,DCBPSMXHHQDZKC-UHFFFAOYSA-N,3,1,0.336,8,927,457.849,1.673,6,0.383,0.64,1.0,0.010622986772668083,0.14071174011376877,0.022025563703652936,0.045027756836406,0.054597011856623946
EOS-3-21227,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)nc5)n34)cn2)ccn1,YCAWWAJVZAHMAO-UHFFFAOYSA-N,3,1,0.366,32,723,446.449,4.511,6,0.368,0.77,1.0,0.2739616887122199,0.3767904872866836,0.7399595641148653,0.7326348433966143,0.5308366458775957
EOS-3-21228,CCNC(=O)c1ccc2c(cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)n2C)n1,ZGFUAOXESKEEQJ-UHFFFAOYSA-N,3,1,0.424,89,677,475.94,3.969,5,0.399,0.82,1.0,0.5218542252073196,0.5832876430676445,0.33202830511959425,0.27809094647385374,0.428815279967103
EOS-3-21229,COc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCc3cc(Cl)ncn3)n12,MKQBEYSDIARRFW-UHFFFAOYSA-N,3,1,0.462,97,83,445.87,3.884,5,0.363,0.76,1.0,0.5801435816599273,0.5539287917209239,0.6375505448564184,0.5637636214104585,0.583846634911932
EOS-3-21230,COc1cc(-c2nnc3cncc(OCc4cc(Cl)cnn4)n23)ccc1-c1ccccn1,DGKJRBDCMWBDHC-UHFFFAOYSA-N,3,1,0.5,72,61,445.87,3.884,5,0.388,0.7,1.0,0.6372421355630183,0.6399235830306353,0.5431344664519224,0.49419162497429925,0.5786229525049689
EOS-3-21231,COc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,XNIQTUVSAJACHM-UHFFFAOYSA-N,3,1,0.308,25,581,463.465,2.509,6,0.375,0.66,0.999,0.09277979576451237,0.017699266671235694,0.07316153793434309,0.09011548214652869,0.06843902062915497
EOS-3-21232,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nc1,ILOBXYKLWPJDEX-UHFFFAOYSA-N,3,1,0.554,36,728,454.281,3.263,5,0.398,0.69,1.0,0.5066050990336509,0.7363271879925982,0.34672058118017957,0.4942001918991159,0.5209632650263861
EOS-3-21233,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nc(C)nn5C)cnn4)n23)nc1,ZKJOSWTWIZKWEP-UHFFFAOYSA-N,3,1,0.394,33,760,457.458,1.019,5,0.391,0.64,0.995,0.18699026797340826,0.08804228634089507,0.014675142210951956,0.0036066753478171476,0.07332859296826812
EOS-3-21234,Cc1ccnc(OCc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)c1,LEAYTPQNGUMYQV-UHFFFAOYSA-N,3,1,0.4,73,767,431.406,3.809,5,0.418,0.67,1.0,0.6644849564800219,0.6792800356384072,0.6610753204029881,0.6038996641765472,0.6521849941744912
EOS-3-21236,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)cs1,BZROTRJJUZQCAJ-UHFFFAOYSA-N,3,1,0.528,58,304,433.472,3.774,5,0.402,0.71,0.998,0.6975532862723597,0.762713316427935,0.302558083750257,0.2809351655129875,0.5109399629908848
EOS-3-21238,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnnc(Cl)c5)ncn4)n23)cn1,IBBNALHYQJQODV-UHFFFAOYSA-N,3,1,0.452,4,354,431.847,2.974,5,0.413,0.63,1.0,0.47922520731958057,0.6213162223288329,0.33923308889041187,0.31171612637927487,0.43787266122952506
EOS-3-21239,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)nc(C)n4)n23)nn1,PQAFOJDUVZLATJ-UHFFFAOYSA-N,3,1,0.394,53,587,445.874,3.283,5,0.375,0.68,1.0,0.3895123706394353,0.4236515660338565,0.18802686587622508,0.18483996984442463,0.29650769309848535
EOS-3-21240,Cc1csc(COc2cncc3nnc(-c4ccc(F)c(-c5cnc(C)nc5)c4)n23)n1,RETDKOCSTGUCRF-UHFFFAOYSA-N,3,1,0.524,4,253,433.472,4.04,5,0.413,0.76,1.0,0.5948872592694127,0.6891662668768419,0.3917654718662189,0.3302635186073607,0.5015206291549585
EOS-3-21241,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,DQSFFNCMQVJXGV-UHFFFAOYSA-N,3,1,0.531,16,22,423.795,3.608,5,0.422,0.69,1.0,0.9276780206976903,0.7714858474402029,0.7374237543691317,0.732643410321431,0.792307758207114
EOS-3-21242,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)ccn2)nn1,HRGKIKGWIUAMFE-UHFFFAOYSA-N,3,1,0.462,13,573,435.369,4.161,5,0.392,0.74,1.0,0.6644935234048386,0.7586097594407512,0.8559128915084642,0.8183126584881091,0.7743322082105408
EOS-3-21243,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nn4)n23)nc1,FTGMTSNEGMTMPY-UHFFFAOYSA-N,3,1,0.29,70,14,451.429,2.64,6,0.372,0.65,0.933,0.09989891028716331,0.16740627784250564,0.18150743609074088,0.21035227194846137,0.1647912240422178
EOS-3-21244,N#Cc1cccc(-c2nsc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)n2)c1,ZPNXAZLBNZGVBJ-UHFFFAOYSA-N,3,1,0.44,7,434,447.871,3.204,5,0.373,0.71,1.0,0.4742992255499966,0.6937924062778426,0.2370896443012816,0.31772154067575903,0.4307257042012199
EOS-3-21245,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ncc(F)cn6)n5)n34)cc2)n1C,ZZQQPZXRBMDDQR-UHFFFAOYSA-N,3,1,0.298,98,635,453.445,2.677,6,0.4,0.62,1.0,0.04957679391405661,0.16741484476732232,0.1011582482352135,0.10217771228839696,0.10508189980124734
EOS-3-21246,FC(F)(F)c1cccc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)c1,ORSQTZPSSJFHMR-UHFFFAOYSA-N,3,1,0.479,27,51,450.384,3.636,5,0.4,0.67,1.0,0.5773935987937769,0.6304999657323007,0.916986498526489,0.8404495922143788,0.7413324138167364
EOS-3-21247,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)s2)nc1,OKYIWPKDRPZJQB-UHFFFAOYSA-N,3,1,0.271,76,557,435.476,3.829,6,0.411,0.68,1.0,0.09278836268932904,0.16362826399835514,0.19132513193064218,0.21628915084641218,0.16600772736618463
EOS-3-21248,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(C#N)n5)n34)c2)nc1,QKRFTHJGUGJIKR-UHFFFAOYSA-N,3,1,0.489,4,921,420.436,3.402,5,0.425,0.72,1.0,0.4939517510794325,0.5083270509218011,0.43543108765677474,0.35274312932629703,0.4476132547460764
EOS-3-21249,Cn1ccnc1-c1ncccc1-c1nnc2cncc(-c3nnc(-c4cccc(Cl)c4)n3C)n12,JTYLSBWZCCSTLQ-UHFFFAOYSA-N,3,1,0.39,8,474,468.912,3.703,6,0.388,0.72,1.0,0.05622472757179083,0.18875505448564184,0.09863100541429648,0.20453532999794394,0.13703652936741828
EOS-3-21250,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)ccc1F,SURQGRVRTPGEIM-UHFFFAOYSA-N,3,1,0.544,11,429,444.445,4.456,5,0.385,0.74,1.0,0.8622181481735316,0.7927403879103557,0.7925347817147557,0.7586525940648345,0.8015364779658694
EOS-3-21251,Cc1ncc(-c2nc(Cc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)ccc2Cl)o1,MXGCXTSEFWGGQM-UHFFFAOYSA-N,3,1,0.374,85,647,446.858,2.888,5,0.434,0.57,0.999,0.21458433280789527,0.257478925364951,0.14994688506613665,0.14239085737783566,0.19110025015420462
EOS-3-21252,Cc1ccc(-c2nnc3cncc(-c4cccnc4-c4cc(C(F)(F)F)nc(C)n4)n23)cn1,DKCJWCFNUOAOEI-UHFFFAOYSA-N,3,1,0.402,82,243,448.412,4.341,5,0.405,0.69,0.999,0.42738674525392367,0.5039921869645672,0.8187924062778426,0.6482335001028031,0.5996012096497841
EOS-3-21253,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)nn1,JQUATTOWPQEIPR-UHFFFAOYSA-N,3,1,0.484,75,819,445.874,3.017,5,0.363,0.69,1.0,0.6145997532725653,0.6841117812350079,0.16869988348982248,0.19561716126379275,0.41575714481529713
EOS-3-21254,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)nn1,WRNKORKYPMKRQG-UHFFFAOYSA-N,3,1,0.284,39,972,470.407,2.174,6,0.377,0.67,0.267,0.1842402851072579,0.24772976492358303,0.10116681516003015,0.21341923103282845,0.1866390240559249
EOS-3-21255,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)nc1,NRBIDZGEAATROK-UHFFFAOYSA-N,3,1,0.256,70,652,434.467,3.049,6,0.42,0.62,1.0,0.056233294496607494,0.034516140086354605,0.21241690082927833,0.17376293605647317,0.11923231786717839
EOS-3-21256,OCc1ccc(-c2nnc3cncc(Cc4ccc(-c5csnn5)cn4)n23)cc1F,OERJZQPMZFZUHE-UHFFFAOYSA-N,3,1,0.345,14,81,419.445,2.927,5,0.467,0.67,1.0,0.24224693304091563,0.3284301966965938,0.5733328764306764,0.5702573504214927,0.4285668391474196
EOS-3-21257,COCc1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ncn1,COSSPBLCKWVMRQ-UHFFFAOYSA-N,3,1,0.505,4,268,459.897,4.022,5,0.359,0.74,1.0,0.8062846960455075,0.8861969707353848,0.5297786306627373,0.5042149270098005,0.6816188061133576
EOS-3-21258,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)ccn2)ccn1,IIGYHDSREKOJDO-UHFFFAOYSA-N,3,1,0.619,11,278,446.873,4.662,5,0.353,0.8,1.0,0.9099444863271879,0.8887327804811185,0.8479799191282297,0.8629549037077651,0.8774030224110754
EOS-3-21259,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)c2)nn1,PXGFSNAOAPHTCL-UHFFFAOYSA-N,3,1,0.457,18,88,448.849,3.452,5,0.389,0.64,1.0,0.7221403604961962,0.6645706257281886,0.5535090124049071,0.5950928654650127,0.6338282160235762
EOS-3-21260,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccccc4OCc4ccc(Cl)nc4)n23)cc1,VCVFKERLWHYKIS-UHFFFAOYSA-N,3,1,0.366,62,3,470.92,4.445,5,0.368,0.83,1.0,0.5116338839010349,0.4546981015694606,0.7220546912480296,0.6248971969022,0.5783209684051813
EOS-3-21261,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncn6)nc5)n34)n2)cc1,LOPUHDPCWXATSM-UHFFFAOYSA-N,3,1,0.272,10,871,418.424,2.891,6,0.429,0.69,0.995,0.04646700020560619,0.04464224521965595,0.16538448358577204,0.20126276471797683,0.11443912343225275
EOS-3-21262,Cc1nc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ncn4)n23)cs1,VXPOSKPIBBXDAE-UHFFFAOYSA-N,3,1,0.398,53,395,437.876,3.036,5,0.408,0.7,0.963,0.39606606812418615,0.4145963265026386,0.09155472551572888,0.11090740867658146,0.25328113220478377
EOS-3-21264,Cc1cccc(CCOc2cncc3nnc(-c4cc(Cl)cc(-c5nncn5C)c4)n23)n1,YBNGHLQABTWDRE-UHFFFAOYSA-N,3,1,0.517,15,563,446.902,3.565,5,0.393,0.68,1.0,0.5502707148242068,0.5309094647385375,0.2807466931670208,0.29286032485778907,0.4136967993968885
EOS-3-21265,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2F)nc1,DUIPXRBSLVIUPW-UHFFFAOYSA-N,3,1,0.524,16,325,447.861,4.323,5,0.37,0.77,1.0,0.9480159002124597,0.909918785552738,0.735093550818998,0.7218062504283462,0.8287086217531354
EOS-3-21266,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4F)n23)ccc1F,ZCQXZBHDSMQZOS-UHFFFAOYSA-N,3,1,0.524,43,79,433.422,3.752,5,0.42,0.69,1.0,0.542474813241039,0.5681670207662257,0.8154770063737921,0.7688472345966691,0.6737415187444316
EOS-3-21267,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)cn2)o1,LSNSYBGVLGMIOH-UHFFFAOYSA-N,3,1,0.295,70,114,434.423,3.064,6,0.407,0.63,0.921,0.08121444726201082,0.07447227743129327,0.055111027345624015,0.06642793502844219,0.06930642176684257
EOS-3-21268,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccn1,QBSUHJISHGSSPM-UHFFFAOYSA-N,3,1,0.529,59,910,435.85,3.958,5,0.415,0.68,1.0,0.6856880954012747,0.6168014529504489,0.7220632581728462,0.7244791309711466,0.687257984373929
EOS-3-21270,Cc1cnsc1COc1cncc2nnc(-c3ccc(-c4ncnn4C)c(Cl)c3)n12,LINRRTJJVHHHHP-UHFFFAOYSA-N,3,1,0.531,16,610,438.904,3.584,5,0.413,0.66,1.0,0.41116098965115483,0.5356726749366048,0.17189534644643958,0.21342779795764513,0.3330392022479611
EOS-3-21271,Cn1c(-c2ccccn2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1=O,FWHWTOGBXZGMQD-UHFFFAOYSA-N,3,1,0.561,35,56,425.452,2.568,5,0.412,0.69,0.997,0.42501370707970665,0.15593516551298744,0.26928414776231924,0.24517682132821603,0.27385246042080735
EOS-3-21272,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)nc4)n23)nc1,DYQJKHFBHGSJEE-UHFFFAOYSA-N,3,1,0.305,32,179,444.502,4.624,6,0.394,0.76,0.999,0.03760023302035501,0.03736892605030498,0.5795096292234939,0.5344219039133713,0.2972251730518813
EOS-3-21273,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ncn4)n23)cc1,WLWCZGWLWWUWLS-UHFFFAOYSA-N,3,1,0.446,89,463,472.444,1.712,5,0.354,0.69,1.0,0.3960746350490028,0.12657631416626688,0.12589952710575011,0.07396682886710987,0.18062932629703243
EOS-3-21274,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4)n23)cc1,XXZAXCKEVAVCAJ-UHFFFAOYSA-N,3,1,0.39,9,642,448.465,4.455,6,0.396,0.72,1.0,0.2093585086697279,0.3621496127749983,0.6138629977383319,0.6566976218216709,0.46051718525118224
EOS-3-21275,COCc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cncs5)n34)c2)cn1,NNUABGLIQNDNNG-UHFFFAOYSA-N,3,1,0.391,51,840,432.469,2.825,5,0.383,0.68,1.0,0.3114591186347749,0.14428414776231924,0.14367589610033582,0.10008738263313001,0.17487663628263997
EOS-3-21276,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)cc2)n1,SIMTZHWUUXTNKC-UHFFFAOYSA-N,3,1,0.545,37,265,434.41,3.18,5,0.437,0.64,1.0,0.877193132753067,0.7363357549174149,0.5766654101843602,0.5309951339867042,0.6802973579603866
EOS-3-21277,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)s1,HUEZGJOAZADODY-UHFFFAOYSA-N,3,1,0.517,87,278,434.912,4.585,5,0.389,0.79,1.0,0.7342368583373312,0.8550733328764307,0.5431430333767391,0.5829278322253444,0.6788452642039613
EOS-3-21278,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)o1,PXMNJPLDRKSWNE-UHFFFAOYSA-N,3,1,0.368,32,541,442.439,4.166,6,0.4,0.72,0.981,0.24767836337468302,0.40513844150503736,0.3134809128915085,0.3914998971969022,0.33944940374203275
EOS-3-21279,Fc1ccc(Cl)cc1-c1nnc2cncc(Oc3ccc(-c4ncccn4)cn3)n12,FEXAXUQTZMBJFN-UHFFFAOYSA-N,3,1,0.391,13,412,419.807,4.228,5,0.43,0.78,1.0,0.7401309026111987,0.8351637996024946,0.7088444931807278,0.7405164142279488,0.7561639024055925
EOS-3-21280,COc1ccnc(F)c1COc1cncc2nnc(-c3cc(-c4cncn4C)ccc3F)n12,GPNASNFHMWIJJZ-UHFFFAOYSA-N,3,1,0.443,26,55,449.421,3.453,5,0.367,0.75,1.0,0.7370982112260983,0.5634894798163251,0.739968131039682,0.6134346514974984,0.663497618394901
EOS-3-21281,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(Cl)nc5)n4)n23)cc1,VLUROAIVUMWESX-UHFFFAOYSA-N,3,1,0.321,8,890,467.884,3.154,6,0.359,0.7,1.0,0.19825577410732642,0.26807621136316906,0.22272291138372968,0.29897710917688985,0.24700800150777874
EOS-3-21282,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,UJLQXNXULPWODF-UHFFFAOYSA-N,3,1,0.541,15,426,443.898,4.227,5,0.363,0.74,1.0,0.8220992392570763,0.8420259063806456,0.559805702145158,0.534430470838188,0.6895903296552669
EOS-3-21283,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccccn5)n4)n23)cc1F,YKNWRJJBRYJQIB-UHFFFAOYSA-N,3,1,0.563,24,268,430.418,4.414,5,0.411,0.73,1.0,0.798043314371873,0.7927489548351724,0.7865636351175382,0.7560054142964842,0.783340329655267
EOS-3-21284,O=C(O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ncc(F)nn4)n23)nc1,RVGGSGJGROZYJX-UHFFFAOYSA-N,3,1,0.36,7,828,446.362,1.245,5,0.397,0.63,0.8,0.41792886025632237,0.1036854910561305,0.0317490233705709,0.02052635186073607,0.14347243163593995
EOS-3-21285,COc1cc(-c2nnc3cncc(OCc4cc(-c5nc(C)no5)ncn4)n23)ccc1Cl,OELZRZYNUKQHCY-UHFFFAOYSA-N,3,1,0.463,7,354,450.846,3.181,5,0.38,0.7,1.0,0.6088342128709479,0.7038928106366938,0.2515420464670002,0.21036083887327806,0.44365747721198
EOS-3-21286,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)cc4F)n23)c(F)c1,VWAHJKVDDADRTH-UHFFFAOYSA-N,3,1,0.342,42,635,457.404,3.582,6,0.395,0.66,1.0,0.28767733534370504,0.3088376396408745,0.5733414433554931,0.5921115756288123,0.4404919984922212
EOS-3-21287,Cc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)c2)nn1C,SZOQOIPQBOFHDY-UHFFFAOYSA-N,3,1,0.566,89,656,422.452,3.346,5,0.427,0.72,1.0,0.5663851004043589,0.4280463984648071,0.5766739771091769,0.46700877253101225,0.5095285621273388
EOS-3-21288,Cc1nc(-c2cc(F)ccc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)n(C)n1,KHGNBSSLCQHJLF-UHFFFAOYSA-N,3,1,0.327,99,151,454.433,2.072,6,0.393,0.62,0.996,0.007444657665684326,0.14806216160646973,0.09377355904324583,0.12257556027688302,0.09296398464807074
EOS-3-21289,N#Cc1cc(-c2ncc(F)cn2)cc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,ASKMLBFVEQBKHY-UHFFFAOYSA-N,3,1,0.693,11,309,437.438,3.881,5,0.397,0.65,1.0,0.9663319854704955,0.9057381262422041,0.732463504900281,0.7192361729833459,0.8309424473990815
EOS-3-21290,OCc1ccnc(-c2cc(-c3nnc4cncc(COc5ccnc(Cl)n5)n34)ccn2)c1,YHWWHVPSCVODOB-UHFFFAOYSA-N,3,1,0.352,24,767,446.858,2.763,5,0.392,0.7,0.969,0.4457028305119594,0.4635648687547118,0.4279007607429237,0.3689688849290659,0.4265343362346652
EOS-3-21291,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)n2)s1,DXVIHULRSWYJCE-UHFFFAOYSA-N,3,1,0.542,89,268,426.465,3.464,5,0.42,0.7,0.999,0.6257967240079501,0.6792886025632239,0.2478154341717497,0.25112226715098346,0.4510057569734768
EOS-3-21292,CCc1cc(-c2nccc(C)n2)cc(-c2nnc3cncc(OCCc4ccccn4)n23)n1,CHLSWPAXSMYSRF-UHFFFAOYSA-N,3,1,0.495,31,796,438.495,3.531,5,0.38,0.66,1.0,0.46180008224247826,0.2628503872250017,0.0937821259680625,0.06315536974847509,0.2203969912960044
EOS-3-21293,Cn1ccc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)F)nc5)n34)cc2)n1,UBDUGKNZCLDISN-UHFFFAOYSA-N,3,1,0.37,14,81,417.423,4.115,5,0.43,0.78,1.0,0.2476869302994997,0.26285895414981836,0.8172160921115756,0.7244876978959632,0.5130624186142142
EOS-3-21294,Fc1ccc(-c2nnc3cncc(-c4cnc(-c5c(F)cccc5F)nc4)n23)c(F)c1,WXTMWEYVWZCARI-UHFFFAOYSA-N,3,1,0.41,45,46,422.345,4.472,5,0.401,0.79,1.0,0.45280481118497706,0.7223973682406963,0.9522393941470769,0.9684308820505791,0.7739681139058323
EOS-3-21295,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)c1,BXBFMVGUBMUNFL-UHFFFAOYSA-N,3,1,0.539,11,503,446.873,4.662,5,0.353,0.82,1.0,0.7840021245973545,0.8316342265780275,0.8135494482900418,0.8512696182578302,0.8201138544308135
EOS-3-21296,CCn1cc(-c2cc(F)cc(COc3cncc4nnc(-c5ccnc(C)c5)n34)c2)cn1,RRDMLZAXHSUOOA-UHFFFAOYSA-N,3,1,0.494,16,388,429.459,4.096,5,0.404,0.73,1.0,0.3365430744979782,0.3088462065656912,0.637559111781235,0.527362757864437,0.45257778767733536
EOS-3-21297,Fc1cccc(-c2cnc(-c3ncnnc3-c3nnc4cncc(Cn5ccnn5)n34)c(F)c2)c1,YFEHYZZGCLCHFR-UHFFFAOYSA-N,3,1,0.303,10,356,469.419,2.623,6,0.374,0.67,1.0,0.11828353094373244,0.16363683092317183,0.2053491878555274,0.36897745185388253,0.21406175039407854
EOS-3-21298,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)cc1,ATVBYKGHIVTHEI-UHFFFAOYSA-N,3,1,0.658,11,201,419.448,3.741,5,0.413,0.76,1.0,0.9645500651086286,0.8550818998012474,0.7040812829826606,0.6712870947844561,0.7987500856692482
EOS-3-21299,Cn1nccc1-c1cc(F)c(-c2nnc3cncc(OCCc4cnccc4F)n23)c(F)c1,GBSICJUALLAINA-UHFFFAOYSA-N,3,1,0.542,37,265,451.412,3.626,5,0.392,0.69,1.0,0.7522531012267837,0.644960934822836,0.8261513946953601,0.7990884791995065,0.7556134774861216
EOS-3-21300,FC(F)(F)c1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)ccn1,JVALBOVSZVLRER-UHFFFAOYSA-N,3,1,0.489,18,324,464.411,3.679,5,0.375,0.7,1.0,0.8320454389692276,0.7964841340552395,0.8663131382358988,0.7139418134466452,0.8021961311767528
EOS-3-21301,FC(F)c1nnc(-c2nnc3cncc(OCc4ccnc(-c5ccnnc5)n4)n23)o1,RPHHYHUVQLRIRD-UHFFFAOYSA-N,3,1,0.396,53,587,424.331,1.938,5,0.394,0.69,1.0,0.3266225755602769,0.17158693715303955,0.09603522719484614,0.07952676307312727,0.16844287574532246
EOS-3-21302,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,DANUPIISAKQHRR-UHFFFAOYSA-N,3,1,0.505,87,307,444.886,3.622,5,0.391,0.67,1.0,0.6825783016928243,0.7132821602357617,0.3467291481049962,0.3591854567884312,0.5254437667055033
EOS-3-21303,Cc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cncc(Cl)c5)c4)n23)nn1,KXHXGWROUFKXNK-UHFFFAOYSA-N,3,1,0.478,87,838,444.886,3.622,5,0.391,0.67,1.0,0.5919488040572956,0.6938009732026592,0.36184120348159826,0.40668905489685425,0.5135700089096018
EOS-3-21304,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccn2)ncn1,KDAXTPWGCYULMP-UHFFFAOYSA-N,3,1,0.494,24,910,431.406,3.809,5,0.418,0.68,1.0,0.8710934822835995,0.6596703447330546,0.7905986567061888,0.7353676924131314,0.7641825440339935
EOS-3-21305,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)n1,ORBWEDRAFIFJKF-UHFFFAOYSA-N,3,1,0.394,46,330,432.394,3.204,5,0.39,0.67,1.0,0.7493660475635666,0.5265489000068535,0.49844081968336645,0.4759783428140635,0.5625835275169625
EOS-3-21306,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)nn2)n1,UVZAYDIJMXAGDI-UHFFFAOYSA-N,3,1,0.418,54,691,447.861,4.323,5,0.396,0.72,0.973,0.7697124940031527,0.7363443218422315,0.6716469056267562,0.7053834555547941,0.7207717942567337
EOS-3-21307,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)ccn2)cn1,DVINVCDZSLQGMC-UHFFFAOYSA-N,3,1,0.512,24,912,447.861,4.323,5,0.396,0.72,1.0,0.7754609005551367,0.7884397916523884,0.7587553971626345,0.7586611609896512,0.7703293125899526
EOS-3-21308,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ncn2)cn1,YEXMNLOTBJHWDK-UHFFFAOYSA-N,3,1,0.56,44,488,447.861,4.323,5,0.396,0.72,0.996,0.8643941470769653,0.7756493729011035,0.8032605715852238,0.7852700294702214,0.8071435302583785
EOS-3-21309,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)cn1,CIRJDJODDPJUCO-UHFFFAOYSA-N,3,1,0.612,35,352,430.418,4.148,5,0.377,0.76,1.0,0.9436553354807758,0.9553920224796107,0.8810996504694675,0.8645997532725653,0.9111866904256049
EOS-3-21310,c1c[nH]c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)n1,KPZBURHSMZRGAV-UHFFFAOYSA-N,3,1,0.301,9,894,422.477,4.367,6,0.453,0.77,1.0,0.04647556713042286,0.09720032896991296,0.5164741964224522,0.5408385306010555,0.30024715578096084
EOS-3-21311,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nn4)n23)cc1,TUJKWLUKDWYHKH-UHFFFAOYSA-N,3,1,0.319,98,890,435.455,2.444,6,0.414,0.6,1.0,0.07471215132615996,0.028570694263587142,0.08677438146802824,0.08817079021314508,0.0695570043177301
EOS-3-21312,Clc1cnnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c1,HEZHBZJXTBJLER-UHFFFAOYSA-N,3,1,0.465,55,875,421.873,3.937,5,0.424,0.75,1.0,0.46903056678774585,0.6500839558632033,0.4316273730381742,0.49109039819066547,0.5104580734699472
EOS-3-21313,Cn1nc(-c2nnc3cncc(OCc4ccnc(CO)c4)n23)cc1-c1ccc(F)nc1,WOBZUWCATDCPHI-UHFFFAOYSA-N,3,1,0.404,95,694,432.419,2.192,5,0.406,0.72,0.999,0.3167534781714756,0.2781423480227537,0.4130285792611884,0.339927009800562,0.33696285381399493
EOS-3-21314,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(F)c5)cn4)n23)cc1,WYZZBMZJHZPIQE-UHFFFAOYSA-N,3,1,0.333,38,167,450.441,3.245,6,0.376,0.68,1.0,0.1647590980741553,0.2222174628195463,0.38449215269686793,0.3849204989377013,0.2890973031320677
EOS-3-21315,Cc1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)n1,FQZIIJCYDOOGPQ-UHFFFAOYSA-N,3,1,0.282,98,890,447.466,2.809,6,0.401,0.61,1.0,0.08781097937084505,0.05180419436639024,0.11765814543211568,0.11573058734836543,0.0932509766294291
EOS-3-21316,Cc1ncc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)cn1,UYAOVFITABSYGA-UHFFFAOYSA-N,3,1,0.287,86,968,447.466,2.809,6,0.401,0.61,0.999,0.09990747721197998,0.04820608594338976,0.10117538208484682,0.0939705983140292,0.08581488588856144
EOS-3-21317,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cnc(Cl)nc5)c4)n23)c1,MMVLICFWDLVGLQ-UHFFFAOYSA-N,3,1,0.602,84,884,447.861,4.057,5,0.362,0.75,1.0,0.839464395860462,0.8699026797340826,0.7684103214310192,0.7759063806456035,0.8134209444177919
EOS-3-21318,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)nc1,HMPAALCNPWMEES-UHFFFAOYSA-N,3,1,0.402,31,296,445.874,3.017,5,0.388,0.65,0.664,0.5272342539921869,0.4810585292303475,0.15915632924405457,0.18217565622644097,0.33740619217325746
EOS-3-21319,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncnc4-n4ccnc4)n23)cc1,YKRBYBZGIYJSCX-UHFFFAOYSA-N,3,1,0.299,98,765,421.428,2.23,6,0.425,0.67,1.0,0.028750599684737168,0.026163388390103487,0.1436844630251525,0.14975841272016996,0.08708921595504078
EOS-3-21320,c1ccc(-c2nsc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)nc1,OOKPRXCPGZDMNI-UHFFFAOYSA-N,3,1,0.307,32,723,435.476,3.829,6,0.411,0.71,1.0,0.05106743883215681,0.12658488109108354,0.13161366595846755,0.18484853676924132,0.12352863066273731
EOS-3-21321,COc1ncc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ncccn5)n34)cn2)cn1,WLASIAKCIBMTOE-UHFFFAOYSA-N,3,1,0.244,86,249,450.426,1.69,6,0.378,0.7,1.0,0.02189705983140292,0.0147436776094853,0.027277088616270304,0.016868274964018916,0.020196525255294362
EOS-3-21322,Cc1noc(C)c1-c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)ncn1,BKEOAQVWMQDDPJ-UHFFFAOYSA-N,3,1,0.34,85,290,427.428,1.938,5,0.443,0.61,1.0,0.10515900212459735,0.0910664108011788,0.02955589061750394,0.012430607908984991,0.05955297786306627
EOS-3-21323,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,FMYBESJVCRGCKM-UHFFFAOYSA-N,3,1,0.276,99,286,423.404,1.224,6,0.437,0.65,1.0,0.09750873826331301,0.09720889589472963,0.024030224110753205,0.026454663833870195,0.061300630525666505
EOS-3-21324,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)cn1,KNKZNGOLMCBCJF-UHFFFAOYSA-N,3,1,0.545,75,530,444.886,3.622,5,0.391,0.65,1.0,0.6856966623260914,0.722405935165513,0.33560071276814474,0.3334846823384278,0.5192969981495442
EOS-3-21325,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)nc2)nn1,LDADSDIDRAWOPI-UHFFFAOYSA-N,3,1,0.4,72,412,429.871,4.706,5,0.408,0.78,1.0,0.6285467068741005,0.7543605647316839,0.6438043999725859,0.6008669727914467,0.6568946610924543
EOS-3-21326,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)nc(C)n2)cn1,YEEOMZBMGXHCOO-UHFFFAOYSA-N,3,1,0.379,44,500,429.871,4.706,5,0.408,0.78,1.0,0.4767322321979302,0.521922760605853,0.5055428003563841,0.5107086560208347,0.5037266122952505
EOS-3-21327,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cn1,GRCRUICACVUORI-UHFFFAOYSA-N,3,1,0.337,42,392,449.453,3.85,6,0.377,0.71,0.998,0.23116133232814748,0.27815091494757044,0.5019789596326503,0.48207799328353096,0.37334230004797475
EOS-3-21328,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cnc(C)cn4)n23)cc1Cl,UYCKZYQYAZRNCC-UHFFFAOYSA-N,3,1,0.424,63,5,407.865,2.688,4,0.546,0.88,1.0,0.23391988211911452,0.27321636625316975,0.16870845041463917,0.15500137070797065,0.20771151737372356
EOS-3-21329,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nn4)n23)nc1,XPGQOLPEGXCXTA-UHFFFAOYSA-N,3,1,0.248,99,286,436.443,1.839,6,0.406,0.59,0.679,0.05107600575697348,0.01614008635460215,0.033102597491604414,0.032194503461037624,0.033128298266054415
EOS-3-21330,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)cn4)n23)c(F)c1,XMVYGRRFDIAANF-UHFFFAOYSA-N,3,1,0.307,64,144,452.428,4.379,6,0.395,0.71,0.989,0.06675347817147556,0.1887636214104585,0.6636025632239051,0.7483979850592831,0.41687941196628053
EOS-3-21331,COc1nc(Cl)ncc1COc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,ATFHXEBTTFZRQU-UHFFFAOYSA-N,3,1,0.5,36,320,449.862,2.618,5,0.36,0.68,1.0,0.5663936673291755,0.4590072647522445,0.15916489616887122,0.10856007127681447,0.3232814748817764
EOS-3-21332,Cc1noc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nnnn6C)cc5F)n34)cn2)n1,FMXSAMJPMKGVJI-UHFFFAOYSA-N,3,1,0.441,98,866,471.416,2.667,6,0.365,0.78,1.0,0.5139897882256186,0.5309180316633542,0.10118394900966349,0.1043194434925639,0.31260280309780003
EOS-3-21333,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4F)n23)cc1,MPZUSLNEHKXDGK-UHFFFAOYSA-N,3,1,0.438,66,225,412.375,3.213,4,0.509,0.7,1.0,0.3619782742786649,0.3860941676375848,0.8135580152148585,0.662625933794805,0.5560640977314784
EOS-3-21334,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)o1,VKXJUHZTICXBTE-UHFFFAOYSA-N,3,1,0.489,15,132,433.859,3.82,5,0.398,0.69,1.0,0.6946148310602426,0.6551641422794874,0.3281903228017271,0.33027208553217735,0.5020603454184086
EOS-3-21335,Cc1ncc(-c2cc(F)nc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)c2)cn1,BGUFMIUHDKIODX-UHFFFAOYSA-N,3,1,0.505,89,744,443.442,3.162,5,0.399,0.68,1.0,0.8272822287711603,0.7039013775615105,0.6799739565485573,0.5506305256665067,0.6904470221369337
EOS-3-21336,COc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3ncc(F)cc3F)n12,IKLPEGVAYVUVRW-UHFFFAOYSA-N,3,1,0.457,73,242,448.393,2.904,5,0.387,0.66,0.963,0.657931258995271,0.593019669659379,0.3392416558152286,0.28094373243780413,0.4677840792269207
EOS-3-21337,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)nc1,DYIYKOCILORQLJ-UHFFFAOYSA-N,3,1,0.433,55,62,419.836,2.609,5,0.4,0.74,1.0,0.5015506133918168,0.4547066684942773,0.24782400109656638,0.26639709409910217,0.36761959427044066
EOS-3-21338,CCc1nn(CC)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4(C)CC4)cn3)n12,CNMWMPLWUWAGHR-UHFFFAOYSA-N,3,1,0.282,63,792,416.489,2.914,5,0.518,0.7,0.993,0.019918100198752654,0.013424371187718456,0.004874580220683983,0.0049431156192173255,0.010790041806593105
EOS-3-21339,Cc1nn(C)c(C)c1-c1cncc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,BSSOKEDGXPKLHZ-UHFFFAOYSA-N,3,1,0.395,14,81,429.915,4.448,5,0.422,0.74,1.0,0.24769549722431636,0.4005894044273867,0.4536358028921938,0.47893393187581385,0.3952136591049277
EOS-3-21340,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)c(F)c1,ZGHIZKKNDXBAOF-UHFFFAOYSA-N,3,1,0.5,13,145,420.354,4.458,5,0.427,0.77,1.0,0.8938558015214858,0.9119919813583716,0.9444177917894593,0.9443149886916592,0.923645140840244
EOS-3-21341,CC(C)n1c(-c2cnn(C)c2)nnc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,QPZBGJSSRDLRLR-UHFFFAOYSA-N,3,1,0.307,8,42,465.525,3.432,6,0.384,0.7,1.0,0.024167294907819888,0.021485847440202866,0.08177129737509424,0.05577068055650743,0.04579878006990611
EOS-3-21342,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)cnc4F)n23)nc1,VIRDMANNEGZJEF-UHFFFAOYSA-N,3,1,0.375,33,760,461.421,0.849,5,0.36,0.68,1.0,0.39608320197381947,0.21685456788431226,0.05681584538414091,0.03220307038585429,0.17548917140703174
EOS-3-21343,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ncc2F)cn1,GGNQPRDSXFWWSL-UHFFFAOYSA-N,3,1,0.506,73,756,454.828,3.492,5,0.401,0.65,1.0,0.7037129052155439,0.8612843533685148,0.6468199575080529,0.6772068398327736,0.7222560139812212
EOS-3-21344,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)cn1,PHYMIOMVUBPBKV-UHFFFAOYSA-N,3,1,0.413,56,428,465.481,2.356,6,0.364,0.67,1.0,0.32663114248509356,0.21686313480912892,0.11464258789664862,0.07953532999794394,0.18441804879720375
EOS-3-21345,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nn2)cc1,JCACKCWPIPQBBG-UHFFFAOYSA-N,3,1,0.317,10,705,417.436,3.496,6,0.433,0.73,1.0,0.0025872112946336784,0.012173600164484957,0.34282263038859573,0.3973939414707697,0.18874434582962102
EOS-3-21346,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,QIOFSMGHKHYWLZ-UHFFFAOYSA-N,3,1,0.483,97,183,433.834,4.015,5,0.386,0.73,1.0,0.827290795695977,0.8244037420327599,0.7971009526420396,0.7968182441230895,0.8114034336234666
EOS-3-21347,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(Cl)n(C)n5)cn4)n23)cn1,VKNFXJLVJFFMOH-UHFFFAOYSA-N,3,1,0.518,4,205,432.875,3.523,5,0.419,0.68,1.0,0.457319580563361,0.5930282365841958,0.40641491330272084,0.3527516962511137,0.4523786066753478
EOS-3-21348,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c1,WMBOZIJRJDQZKH-UHFFFAOYSA-N,3,1,0.443,2,36,437.826,2.748,5,0.386,0.65,1.0,0.547632101980673,0.5309265985881708,0.4605407442944281,0.4820865602083476,0.5052965012679049
EOS-3-21349,Fc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1OC(F)F,YRFHBYIISYXAGQ-UHFFFAOYSA-N,3,1,0.605,90,255,423.301,3.784,4,0.44,0.68,1.0,0.9746162017682133,0.9650126790487287,0.989531217874032,0.9842282914125146,0.9783470975258721
EOS-3-21350,N#Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nn2)c1,CMFJVWYXDZQWNN-UHFFFAOYSA-N,3,1,0.429,54,411,455.869,3.185,5,0.379,0.64,0.722,0.7070197381947776,0.7410903981906655,0.4536443698170105,0.5107172229456515,0.6031179322870263
EOS-3-21351,COCc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(C)n5)n34)cn2)cn1,GCZNLSHRISLNLG-UHFFFAOYSA-N,3,1,0.477,4,464,439.479,3.677,5,0.379,0.72,1.0,0.4965218285244329,0.34323384277979574,0.40642348022753755,0.2631930642176684,0.3773430539373587
EOS-3-21352,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)cc1Cl,OUPGISNGWCDIGM-UHFFFAOYSA-N,3,1,0.62,59,294,432.846,4.62,5,0.403,0.78,1.0,0.8790435885134672,0.8489308477828799,0.8902833938729354,0.8975310122678364,0.8789472106092797
EOS-3-21353,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(F)c1,LENMKZKHPZXDHK-UHFFFAOYSA-N,3,1,0.459,51,196,436.838,3.353,5,0.417,0.64,1.0,0.6489359879377699,0.65009252278802,0.5196353916798027,0.5344390377630046,0.5882757350421493
EOS-3-21354,CC(C)(O)c1ccc(-c2nnc3cncc(OCc4ncnn4-c4ccc(F)cc4)n23)cn1,FTSLKSRQLDXCIH-UHFFFAOYSA-N,3,1,0.459,4,677,446.446,2.713,5,0.423,0.69,0.988,0.4338376396408745,0.4720289904735796,0.467685559591529,0.3117246933040916,0.42131922075251865
EOS-3-21355,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6F)cn5)n34)cn2)n1,UDFQCWFLVSIUNC-UHFFFAOYSA-N,3,1,0.278,42,664,449.453,3.944,6,0.376,0.72,0.919,0.005037351792200672,0.1331642793502844,0.4916215475292989,0.4731769583990131,0.2757500342676993
EOS-3-21356,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cnn2)nc1,BATVJURPVAEUDX-UHFFFAOYSA-N,3,1,0.575,19,73,431.406,3.543,5,0.406,0.66,1.0,0.8036632170516071,0.7627218833527517,0.6934240285107258,0.7192447399081625,0.7447634672058118
EOS-3-21357,Clc1ncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)n2)s1,SDABGJLEGOIMOS-UHFFFAOYSA-N,3,1,0.289,99,952,460.874,2.396,6,0.385,0.65,0.763,0.015377630045918717,0.16364539784798848,0.023173531629086423,0.05427146871359057,0.06411700705914605
EOS-3-21358,Clc1cncc(-c2ncncc2-c2nnc3cncc(OCCc4ccncc4)n23)n1,UFJNKQGVUIAINV-UHFFFAOYSA-N,3,1,0.506,65,324,431.847,2.708,5,0.4,0.63,1.0,0.6003101226783634,0.6213247892536495,0.21925330683297922,0.26912137619080256,0.4275023987389487
EOS-3-21359,Cc1nc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3cnc(Cl)c(F)c3)n12,XMJFIPUHUJRPSL-UHFFFAOYSA-N,3,1,0.438,47,283,437.826,3.046,5,0.416,0.65,0.999,0.6946233979850592,0.6841203481598246,0.39177403879103556,0.39740250839558633,0.5419800733328763
EOS-3-21360,Fc1cc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccc4Cl)n23)ncn1,XAOQDNHCLMKRAC-UHFFFAOYSA-N,3,1,0.494,73,539,434.822,3.41,5,0.387,0.68,1.0,0.7433520663422658,0.855090466726064,0.5733500102803097,0.5951014323898294,0.6917234939346173
EOS-3-21361,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cn4)n23)nc1,NSKXLVVQFWAWTC-UHFFFAOYSA-N,3,1,0.27,99,813,468.872,2.549,6,0.379,0.67,0.98,0.1511633883901035,0.20245356726749367,0.10119251593448016,0.16056987183880475,0.15384483585772052
EOS-3-21362,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(OCC(F)F)nc4)n23)nc1,FNFADCAQXOLQAU-UHFFFAOYSA-N,3,1,0.378,27,412,450.409,3.418,5,0.371,0.72,1.0,0.49653039544924954,0.46357343567952847,0.6581711328901377,0.47318552532382974,0.5228651223356864
EOS-3-21363,COc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(C)nc5)nc(C)n4)n23)ccn1,KBRHZYSKXACNEI-UHFFFAOYSA-N,3,1,0.435,49,531,454.494,3.285,5,0.365,0.69,1.0,0.4715749434582962,0.13687375779590158,0.20168254403399355,0.09397916523884586,0.2260276026317593
EOS-3-21364,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cc1,VZMKGBJAORRRAA-UHFFFAOYSA-N,3,1,0.321,64,449,465.427,4.046,6,0.384,0.73,1.0,0.31146768555959153,0.41460489342745527,0.48493077924748135,0.5702659173463094,0.44531731889520937
EOS-3-21365,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccc2F)cn1,DYUZXRCJSSHGCY-UHFFFAOYSA-N,3,1,0.54,35,426,449.396,3.682,5,0.391,0.66,1.0,0.9595555479405112,0.9457456651360427,0.8447758892467959,0.8383249948598451,0.8971005242957988
EOS-3-21366,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccnc(F)c4)n23)n1,OLKYNEDWWMBMRC-UHFFFAOYSA-N,3,1,0.264,39,972,451.429,2.64,6,0.372,0.68,0.421,0.11266362826399835,0.1331728462751011,0.10912548831471455,0.15500993763278734,0.12749297512165034
EOS-3-21367,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5F)s4)n23)cc1,YNXYFVYMOXOKQY-UHFFFAOYSA-N,3,1,0.364,3,642,455.482,3.911,6,0.397,0.71,1.0,0.1292577616338839,0.3379737509423617,0.23005619902679733,0.32382975807004316,0.2552793674182715
EOS-3-21368,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncc(F)n6)nc5)n34)n2)nn1,IBKLJSNOGNTPBV-UHFFFAOYSA-N,3,1,0.303,76,14,464.428,2.4,6,0.379,0.64,0.794,0.2422554999657323,0.30391165787129054,0.08678294839284491,0.10432801041738057,0.1843195291618121
EOS-3-21369,Cc1coc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,HPVSVUBBPLCCSU-UHFFFAOYSA-N,3,1,0.549,4,335,419.832,3.777,5,0.424,0.76,1.0,0.882787334658351,0.8807655404016175,0.2692927146871359,0.3085891988211911,0.5853586971420739
EOS-3-21370,N#Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncs5)c4)n23)c(F)c1,VPTZUAVHXBYCRL-UHFFFAOYSA-N,3,1,0.524,97,183,429.44,3.9,5,0.417,0.74,1.0,0.8416232609142622,0.8642228085806319,0.7822202042354877,0.7509423617298334,0.8097521588650538
EOS-3-21371,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1,MOGGKCPHCSSANR-UHFFFAOYSA-N,3,1,0.568,16,391,419.395,3.444,5,0.434,0.69,1.0,0.6549242683846207,0.5930368035090124,0.8226817901446097,0.7735761770954698,0.7110547597834281
EOS-3-21372,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cc2F)nn1C,RSXYLRKUXGKQLN-UHFFFAOYSA-N,3,1,0.585,37,619,436.476,3.112,5,0.403,0.66,1.0,0.5348845178534714,0.6119268727297649,0.10382256185319717,0.10433657734219724,0.33874263244465763
EOS-3-21373,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(Cl)c2)cs1,WKXANUFMJXJRJB-UHFFFAOYSA-N,3,1,0.512,20,846,449.927,4.288,5,0.382,0.79,1.0,0.60031868960318,0.7627304502775684,0.3467377150298129,0.3658762250702488,0.5189157699952025
EOS-3-21374,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)cnn4)n23)c1,MNPCNCTUBBGCAL-UHFFFAOYSA-N,3,1,0.448,19,207,449.396,3.682,5,0.391,0.67,1.0,0.7610770337879514,0.7317267493660475,0.8154855732986087,0.8404581591391954,0.7871868788979508
EOS-3-21375,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)c(C)n5)cnn4)n23)cc1,BBMBKJBDHISPRA-UHFFFAOYSA-N,3,1,0.483,4,534,428.431,3.373,5,0.42,0.65,1.0,0.7522616681516003,0.6938095401274759,0.3356092796929614,0.28673497361387157,0.5171038653964772
EOS-3-21376,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ncc(C)nn5)c4)n23)cn1,OQBRQCUXRIWWGI-UHFFFAOYSA-N,3,1,0.518,4,205,428.431,3.373,5,0.42,0.65,1.0,0.685705229250908,0.7085789185114112,0.4244568569666233,0.3591940237132479,0.5444837571105475
EOS-3-21377,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnc(Cl)cn5)cc4)n23)cn1,RZHVLAZJPIBOFL-UHFFFAOYSA-N,3,1,0.333,42,725,466.896,3.759,6,0.386,0.72,1.0,0.15388767048180385,0.22749468850661367,0.33925022274004524,0.384929065862518,0.2763904118977452
EOS-3-21378,Cn1cc(COCc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)nn1,FQINYIRLRACYOG-UHFFFAOYSA-N,3,1,0.398,92,36,433.863,2.747,5,0.376,0.69,1.0,0.1262250702487835,0.23723528202316496,0.26930128161195255,0.32383832499485987,0.23914998971969023
EOS-3-21379,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)n1,PSWFJIZCTQJBQZ-UHFFFAOYSA-N,3,1,0.476,51,196,436.838,3.353,5,0.417,0.63,1.0,0.6975618531971763,0.6792971694880405,0.5164827633472688,0.5273713247892536,0.6051782777054349
EOS-3-21381,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)cn2)nn1,VDMOBMLCFYINLQ-UHFFFAOYSA-N,3,1,0.3,10,543,463.44,3.005,6,0.384,0.65,0.993,0.15117195531492017,0.2477383318483997,0.1783633746830238,0.2572047837708176,0.2086196114042903
EOS-3-21382,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1-c1cccc(F)n1,SIMUWDOFLDVPOU-UHFFFAOYSA-N,3,1,0.522,19,54,433.422,3.487,5,0.381,0.73,1.0,0.5066136659584676,0.38610273456240146,0.5398019326982386,0.570274484271126,0.5006982043725584
EOS-3-21383,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)ncn4)n23)c1,SFRHHTSWIHNKHV-UHFFFAOYSA-N,3,1,0.447,44,130,431.406,3.543,5,0.406,0.67,0.774,0.7037214721403605,0.6213333561784662,0.6229268041943664,0.6653587828113221,0.6533351038311288
EOS-3-21384,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)c(F)c4)n23)cn1,JHGULFLUIFUOKM-UHFFFAOYSA-N,3,1,0.321,98,765,452.457,3.188,6,0.405,0.63,1.0,0.23684977040641492,0.3039202247961072,0.31348947981632513,0.3148002193132753,0.29226492358303063
EOS-3-21385,Cn1nc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)cn3)n12,ZZNCWQGZANMFMM-UHFFFAOYSA-N,3,1,0.232,99,286,425.42,1.167,6,0.439,0.64,0.613,0.007453224590500994,0.040992735247755464,0.011950860119251594,0.011119868412034816,0.01787917209238572
EOS-3-21386,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccn6)c5)n34)cn2)nn1,WRJDDKZNGCXSTI-UHFFFAOYSA-N,3,1,0.272,86,719,434.427,1.989,6,0.405,0.61,1.0,0.005482831882667398,0.01614865327941882,0.051238777328490165,0.04766636967993969,0.030134158042629016
EOS-3-21387,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(F)cn5)cn4)n23)c(F)c1,DIKUXXWRQPDQOO-UHFFFAOYSA-N,3,1,0.464,73,775,461.392,1.994,5,0.401,0.65,1.0,0.6549328353094374,0.3954149818381194,0.30256665067507366,0.25431773010760056,0.4018080494825577
EOS-3-21388,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)nn1,QRMXDWKWULPJBT-UHFFFAOYSA-N,3,1,0.304,10,705,425.387,3.228,6,0.423,0.67,0.999,0.04357994654238914,0.1803252004660407,0.3917826057158522,0.4512370639435268,0.26673120416695223
EOS-3-21389,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)c1,KFNWCLWOIQLKNA-UHFFFAOYSA-N,3,1,0.329,3,158,425.387,3.228,6,0.423,0.64,1.0,0.06885237475155918,0.19771605784387636,0.30257521759989037,0.4034421903913371,0.24314646014666577
EOS-3-21390,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)o5)n34)cc2)nc1,JHHRJYBZPKAIQX-UHFFFAOYSA-N,3,1,0.351,38,865,426.371,3.697,6,0.415,0.69,1.0,0.4023541909396203,0.39542354876293606,0.40277397025563705,0.4034507573161538,0.40100061681858684
EOS-3-21391,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1,MUQNFWFVUANBHU-UHFFFAOYSA-N,3,1,0.286,99,968,422.416,1.829,6,0.45,0.63,1.0,0.12344938660818312,0.0941847714344459,0.06467171544102529,0.06487732163662532,0.0867957987800699
EOS-3-21392,Fc1cnc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)c2)nc1,VGCNVCGOFOZEIM-UHFFFAOYSA-N,3,1,0.283,86,459,448.425,3.301,6,0.4,0.65,1.0,0.3036546501267905,0.28340243986018776,0.2730792954561031,0.33028065245699406,0.29760425947501884
EOS-3-21393,Cn1ccnc1-c1cncc(-c2nnc3cncc(Oc4c(F)cc(F)cc4F)n23)c1,MOHCSXUJFHISQT-UHFFFAOYSA-N,3,1,0.439,2,724,423.358,3.796,5,0.437,0.69,1.0,0.5860890274826948,0.607052292509081,0.8369200191899115,0.8055822082105407,0.7089108868480569
EOS-3-21394,Fc1cncc(F)c1CCOc1cncc2nnc(-c3cncnc3-c3cnccn3)n12,XLOQXDPPZSNTOB-UHFFFAOYSA-N,3,1,0.477,65,324,433.382,2.333,5,0.398,0.64,1.0,0.6825868686176411,0.6256596532108835,0.3732694811870331,0.39150846412171886,0.5182561167843192
EOS-3-21395,Cc1cccc(-c2nn(C)cc2-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)n1,RYVCZIHOIJPMQN-UHFFFAOYSA-N,3,1,0.262,30,541,445.49,4.019,6,0.404,0.68,0.408,0.021905626756219588,0.016157220204235486,0.20535775478034404,0.23367144129943115,0.11927301076005756
EOS-3-21396,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cncc(F)c5)[nH]4)n23)cc1,HHACQINRCWTJGH-UHFFFAOYSA-N,3,1,0.301,98,407,439.418,2.573,6,0.444,0.61,0.998,0.1538962374066205,0.22222602974436295,0.21566376533479542,0.2664056610239188,0.21454792337742443
EOS-3-21397,Cc1nc(-c2ncc(Cl)cc2F)cc(-c2nnc3cncc(OCCc4ccccc4)n23)n1,OJONDRJEIXZVQX-UHFFFAOYSA-N,3,1,0.54,44,531,461.888,4.366,5,0.371,0.75,0.998,0.8009989034336235,0.7039099444863272,0.47424782400109655,0.5443681036255226,0.6308811938866424
EOS-3-21398,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,VLENUNKFDFHXLA-UHFFFAOYSA-N,3,1,0.523,77,363,461.489,3.623,6,0.37,0.74,1.0,0.46438729353711194,0.30885477349050783,0.29525049688163935,0.3177301076005757,0.3465556678774587
EOS-3-21399,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)nn1,HZPDTAVCTDNEMQ-UHFFFAOYSA-N,3,1,0.386,53,924,432.835,2.369,5,0.408,0.59,1.0,0.4767407991227469,0.5127218833527517,0.06880097320265917,0.09012404907134534,0.28709692618737576
EOS-3-21400,COc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cccnc1,AGINSSNSDCRVDZ-UHFFFAOYSA-N,3,1,0.538,35,657,425.452,3.273,5,0.392,0.74,1.0,0.5091666095538345,0.39078884243711876,0.3732780481118498,0.26641422794873554,0.38491193201288465
EOS-3-21401,Cc1cc(-c2nnc3cncc(OCc4csc(F)n4)n23)ccc1-c1ncnn1C,UKTLPVIAUOPHPW-UHFFFAOYSA-N,3,1,0.5,36,610,422.449,3.07,5,0.429,0.68,1.0,0.4179374271811391,0.5127304502775684,0.1948804057295593,0.152414159413337,0.3194906106504009
EOS-3-21402,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)c2)s1,QTWJNUIEFJDCQY-UHFFFAOYSA-N,3,1,0.562,15,460,432.513,3.282,5,0.406,0.68,1.0,0.2932715372489891,0.30392879172092385,0.04941402234253992,0.03434480159002125,0.17023978822561853
EOS-3-21403,CCn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)cnn1,VYDWMKCUOCOWMP-UHFFFAOYSA-N,3,1,0.506,36,571,424.428,2.31,5,0.402,0.68,1.0,0.4965389623740662,0.405147008429854,0.13783325337536836,0.15242272633815365,0.29798548762936056
EOS-3-21404,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ccn4)n23)cc(C)n1,VYGBNJJDBNINOV-UHFFFAOYSA-N,3,1,0.575,7,43,428.431,3.373,5,0.42,0.64,1.0,0.5692036186690426,0.47670653142348024,0.3545164827633473,0.26320163114248507,0.4159070659995888
EOS-3-21405,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ccc(F)nn1,ORLBVBTYORZXRQ-UHFFFAOYSA-N,3,1,0.479,15,846,444.43,2.808,5,0.374,0.65,1.0,0.8221078061818929,0.6938181070522925,0.3618497704064149,0.2719998629292029,0.5374438866424508
EOS-3-21406,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cnn2)s1,IQSBFFGNVZYSMS-UHFFFAOYSA-N,3,1,0.554,53,226,454.878,3.78,5,0.395,0.72,1.0,0.8574549379754643,0.917783222534439,0.3654564457542321,0.4544153930505106,0.6487774998286615
EOS-3-21407,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)n2)nn1,DJIDSEQYGIIFNN-UHFFFAOYSA-N,3,1,0.243,99,813,436.443,1.839,6,0.406,0.62,0.999,0.015386196970735384,0.010365979028168049,0.04600438626550613,0.03875676787060517,0.027628332533753686
EOS-3-21408,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)cn2)n1,CLTWLWHOVZOBFG-UHFFFAOYSA-N,3,1,0.258,30,93,442.486,4.681,6,0.391,0.77,0.736,0.08781954629566172,0.05181276129120691,0.4354396545815914,0.45442395997532725,0.25737398053594684
EOS-3-21409,CCOc1ncc(CC)nc1-c1cncc2nnc(-c3cnc(-c4ccnc(C)c4)nc3)n12,KTBSXAGMGUVDAS-UHFFFAOYSA-N,3,1,0.312,7,489,439.483,3.37,5,0.392,0.7,0.999,0.17283770817627306,0.09419333835926257,0.04133541224042218,0.022154067575902953,0.08263013158796519
EOS-3-21410,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccnnc5)n34)nc2)n1,NPKFJCAYPLMFKG-UHFFFAOYSA-N,3,1,0.275,99,719,434.427,1.896,6,0.404,0.6,1.0,0.0927969296141457,0.055667877458707424,0.058700568843807824,0.06994894112809266,0.06927857926118841
EOS-3-21411,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)cn4)n23)cc1Cl,YXMQMEZZBLBVIV-UHFFFAOYSA-N,3,1,0.454,51,946,459.857,2.37,5,0.404,0.62,1.0,0.5919573709821122,0.4677969296141457,0.2515506133918169,0.242469673086149,0.388443646768556
EOS-3-21412,Cc1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(F)cc5)n34)c(F)c2)cc(=O)n1C,RSLMGFKMZPYEAZ-UHFFFAOYSA-N,3,1,0.37,57,358,443.457,4.334,5,0.415,0.75,0.672,0.4002895620588034,0.512739017202385,0.8902919607977521,0.882401823041601,0.6714305907751353
EOS-3-21413,C#Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ncc(C)cn5)ncc4F)n23)cn1,DHYUFPITVGNVBJ-UHFFFAOYSA-N,3,1,0.424,51,48,439.414,2.441,5,0.381,0.65,1.0,0.7784079226920705,0.6501010897128366,0.29173805770680555,0.2278030978000137,0.4870125419779316
EOS-3-21414,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4cccnc4-c4ncon4)n23)c1,CUZZEORPVZECGI-UHFFFAOYSA-N,3,1,0.306,98,219,457.845,2.747,6,0.388,0.7,1.0,0.21203138921252826,0.34324240970461245,0.09379069289287917,0.19024569940374203,0.20982754780344048
EOS-3-21415,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(COc5ccncc5)n34)c2)nc1,IECGNYBLRVXEAP-UHFFFAOYSA-N,3,1,0.404,73,767,417.379,3.501,5,0.432,0.74,1.0,0.48156397779453086,0.5356812418614214,0.7040898499074772,0.6887379206360085,0.6025182475498595
EOS-3-21416,O=C(O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5nnccc5F)cn4)n23)cc1,JZYQMBXBRLSAHI-UHFFFAOYSA-N,3,1,0.402,14,81,445.389,3.211,5,0.438,0.57,1.0,0.36416284010691524,0.12296963881844973,0.6109502433006648,0.5474350627098896,0.4113794462339799
EOS-3-21417,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)cc6F)nn5)n34)cc2)n(C)n1,QNRNZTLCNXVZQP-UHFFFAOYSA-N,3,1,0.333,98,39,470.447,3.421,6,0.389,0.72,1.0,0.02303646083201974,0.19319272154067577,0.36185833733123157,0.41957370982112263,0.2494153073812624
EOS-3-21418,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nc(C)nn5C)c4)n23)cc1F,QEALRGDTZYZJQX-UHFFFAOYSA-N,3,1,0.469,16,788,473.472,2.368,5,0.399,0.71,1.0,0.45047460763484337,0.2988743060790898,0.18483996984442463,0.11091597560139813,0.261276214789939
EOS-3-21419,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cn1,GEJZNBFTLLACFO-UHFFFAOYSA-N,3,1,0.529,2,419,433.834,4.015,5,0.386,0.7,1.0,0.5528493591940237,0.7178997327119457,0.7971095195668563,0.8165221712014256,0.7210951956685627
EOS-3-21420,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)n2)o1,COEQXIJEFROTTF-UHFFFAOYSA-N,3,1,0.306,76,543,452.413,3.203,6,0.392,0.64,0.991,0.2010057569734768,0.3238982934685765,0.12040812829826605,0.19308991844287574,0.20960052429579878
EOS-3-21421,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)o1,DJAAOMMUZPOZSP-UHFFFAOYSA-N,3,1,0.396,6,843,464.449,2.976,6,0.359,0.71,1.0,0.2552943595367007,0.14807072853128642,0.10383112877801384,0.09398773216366253,0.15029598725241586
EOS-3-21422,Cn1cncc1-c1ncccc1-c1nnc2cncc(-c3ncc(-c4cnccn4)cn3)n12,BRGWPHCZYJFPQS-UHFFFAOYSA-N,3,1,0.269,86,513,433.439,2.501,6,0.412,0.6,1.0,0.061493386334041535,0.026171955314920156,0.10628126927558083,0.1109245425262148,0.07621778836268933
EOS-3-21423,c1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)nc1,UUMCVQWBBHTYMC-UHFFFAOYSA-N,3,1,0.289,42,150,423.465,3.558,6,0.427,0.68,1.0,0.013827016654101843,0.0635494482900418,0.24085052429579878,0.2572133506956343,0.1438600849838942
EOS-3-21424,CCc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,RDMHJSKZPOASFU-UHFFFAOYSA-N,3,1,0.284,63,108,414.473,2.839,6,0.52,0.74,0.999,0.016208621753135494,0.026180522239736825,0.0032040298814337603,0.008147145500651086,0.013435079843739291
EOS-3-21425,Fc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)cc1F,GTZNQFFJJSQTSB-UHFFFAOYSA-N,3,1,0.333,13,110,437.797,4.367,5,0.412,0.68,1.0,0.7640583236241518,0.8420344733054622,0.8447844561716127,0.8614556918648482,0.8280832362415187
EOS-3-21426,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5F)n34)c2)nn1,YTPQNEGKDDNFOB-UHFFFAOYSA-N,3,1,0.506,59,630,449.396,3.948,5,0.375,0.71,1.0,0.8440219998629293,0.8281046535535604,0.8588770474950311,0.8342985401960112,0.841325560276883
EOS-3-21427,COc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(C)nc5)n34)c2)cc1F,IUSHRSPIQHIBFJ-UHFFFAOYSA-N,3,1,0.511,97,91,442.454,4.283,5,0.388,0.73,1.0,0.7952933315057227,0.7456651360427661,0.8172246590363923,0.6832636556781577,0.7603616955657596
EOS-3-21428,Cc1nccc(COc2cncc3nnc(-c4cccc(-c5cc(=O)n(C)cn5)c4)n23)c1Cl,VKFJCGVTVDXROG-UHFFFAOYSA-N,3,1,0.443,16,606,459.897,3.488,5,0.396,0.69,1.0,0.45961551641422793,0.40515557535467067,0.5365465012679048,0.49725001713384964,0.47464190254266325
EOS-3-21429,CC(C)(O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cccnn5)cnn4)n23)cn1,FAWYAQSGPSVQAX-UHFFFAOYSA-N,3,1,0.326,85,60,425.456,2.251,5,0.451,0.62,0.999,0.21459289973271195,0.13318141319991775,0.3134980467411418,0.1710129531903228,0.2080713282160236
EOS-3-21430,OCc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,OOUJMFJMXDBICI-UHFFFAOYSA-N,3,1,0.424,13,995,449.833,3.72,5,0.432,0.65,1.0,0.6579398259200877,0.7132907271605784,0.7706891234322527,0.7713059420190529,0.7283064046329929
EOS-3-21431,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)n1,ACZJCJMPLQUDLB-UHFFFAOYSA-N,3,1,0.44,7,617,431.847,2.974,5,0.413,0.61,1.0,0.5116424508258516,0.6021691453635802,0.21567233225961208,0.22185765197724625,0.3878353951065725
EOS-3-21432,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)s1,QADOUTVXBGSZHV-UHFFFAOYSA-N,3,1,0.301,99,601,429.429,2.155,6,0.409,0.63,0.999,0.09751730518812966,0.12979747789733398,0.017656432047152355,0.022162634500719623,0.06678346240833391
EOS-3-21433,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(CN5CCCCC5)ncn4)n23)cn1,SACBZSBVMGPMLW-UHFFFAOYSA-N,3,1,0.419,63,66,485.552,2.433,6,0.401,0.85,1.0,0.10749777259954767,0.008738263313001165,0.0003341100678500445,0.0011651017750668221,0.029433811938866423
EOS-3-21434,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccccc4F)ccn3)n12,RIVMEGUELPBIMX-UHFFFAOYSA-N,3,1,0.523,11,503,430.418,4.148,5,0.403,0.71,1.0,0.7493746144883833,0.6891748338016586,0.8261599616201768,0.8404667260640121,0.7762940339935577
EOS-3-21435,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cc(Cl)ncn5)n4)n23)cc1,OZKDAAXKCATAOA-UHFFFAOYSA-N,3,1,0.31,98,882,457.849,1.673,6,0.358,0.68,0.998,0.033599479130971145,0.13688232472071826,0.02838222191762045,0.054280035638407234,0.06328601535192926
EOS-3-21436,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)n1,FCPKQWJDZKTMKI-UHFFFAOYSA-N,3,1,0.484,87,349,432.875,3.257,5,0.406,0.7,1.0,0.44571139743677607,0.540127475841272,0.28824275238160507,0.3557415530121308,0.407455794667946
EOS-3-21437,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)c(F)c1,IWNIVKYLZWDSHE-UHFFFAOYSA-N,3,1,0.472,36,353,454.828,3.492,5,0.401,0.67,1.0,0.6458775957782195,0.7317353162908642,0.6408402439860188,0.6595761085600713,0.6695073161537934
EOS-3-21438,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cc5)n34)nn2)nn1C,CMZREEBYDRPZST-UHFFFAOYSA-N,3,1,0.322,98,63,449.482,2.753,6,0.403,0.64,0.974,0.11267219518881502,0.05951442670139127,0.06468028236584196,0.058666301144541154,0.07388330135014734
EOS-3-21439,Fc1ncccc1-c1ncc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cn1,HZANPEIAJTYCIH-UHFFFAOYSA-N,3,1,0.529,55,390,434.822,3.41,5,0.387,0.69,1.0,0.654941402234254,0.7039185114111438,0.4676941265163457,0.5042234939346172,0.5826943835240902
EOS-3-21440,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5nc(C#N)cs5)n34)ccc2F)cn1,GOGDJEYQDZKDGV-UHFFFAOYSA-N,3,1,0.5,4,253,444.455,3.603,5,0.404,0.77,1.0,0.6796912480296073,0.7964927009800562,0.4984493866081831,0.4512456308683435,0.6064697416215475
EOS-3-21441,N#Cc1ccccc1CCc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,FKAYKCJCSRODSL-UHFFFAOYSA-N,3,1,0.44,0,862,408.465,3.34,5,0.528,0.87,1.0,0.32394112809265985,0.2070968405181276,0.32103694057980947,0.39436125008566925,0.3116090398190665
EOS-3-21442,Cc1noc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ncn2)n1,QNIMFLUJVOSSBA-UHFFFAOYSA-N,3,1,0.398,44,971,441.238,4.039,5,0.407,0.69,0.998,0.5692121855938592,0.5309351655129875,0.3618669042560482,0.4851792200671647,0.48679836885751493
EOS-3-21443,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)cc1,BNQNKPJAPUTBPC-UHFFFAOYSA-N,3,1,0.37,25,791,465.908,4.364,6,0.381,0.77,1.0,0.17009629223493936,0.30886334041532454,0.47774312932629703,0.610196353916798,0.39172477897333974
EOS-3-21444,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cnccn5)n34)c(F)c2)n1,UTQDPSJKHFAQEO-UHFFFAOYSA-N,3,1,0.321,86,219,451.429,2.64,6,0.398,0.6,1.0,0.15666335412240423,0.24774689877321637,0.18803543280104174,0.2396168871221986,0.20801564320471524
EOS-3-21445,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cn4)n23)cn1,RPMDVGDZSMXSDJ-UHFFFAOYSA-N,3,1,0.309,70,392,436.504,4.377,6,0.408,0.72,0.999,0.17841477623192378,0.13318998012473443,0.309702899047358,0.314808786238092,0.23402911041052704
EOS-3-21446,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3cnc(-c4ccncc4)s3)n12,JNZYMTUJEKZKBJ-UHFFFAOYSA-N,3,1,0.341,42,213,468.506,3.176,6,0.375,0.74,1.0,0.0812230141868275,0.0671732574874923,0.09863957233911315,0.09208587485436227,0.0847804297169488
EOS-3-21447,Fc1ccc(-c2cncnc2)c(-c2nnc3cncc(-c4nncc(-c5ccccc5)n4)n23)c1,VXAZQAIDSKWALO-UHFFFAOYSA-N,3,1,0.329,30,77,447.437,3.906,6,0.4,0.66,0.774,0.23116989925296416,0.40984168322938797,0.5019875265574669,0.597868549105613,0.435216914536358
EOS-3-21448,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(C6CCC6)cn5)n34)cc2)n1C,ZFTDYPJJIQOJLF-UHFFFAOYSA-N,3,1,0.311,52,453,422.496,4.225,6,0.431,0.79,1.0,0.13972654375985197,0.08481255568501131,0.09379925981769584,0.1605784387636214,0.11972919950654512
EOS-3-21449,Cn1ncnc1-c1ccccc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,CJDYPFFOBMIOAH-UHFFFAOYSA-N,3,1,0.473,77,763,449.478,3.556,6,0.414,0.67,1.0,0.5976286752107464,0.3432509766294291,0.3581060242615311,0.32710232335001027,0.4065219998629292
EOS-3-21450,Cc1ccn(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)nc1,VEPZOPXNPMMKGX-UHFFFAOYSA-N,3,1,0.346,82,974,425.496,3.79,5,0.471,0.65,0.906,0.21754848879446234,0.13689089164553492,0.6199883489822493,0.36588479199506546,0.335078130354328
EOS-3-21451,CCn1cc(-c2cnnc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)c2)cn1,OHPXNJZLWAMYEG-UHFFFAOYSA-N,3,1,0.241,94,342,446.478,3.589,6,0.395,0.68,0.339,0.05968576519772462,0.009363648824617914,0.212425467754095,0.24247824001096566,0.1309882804468508
EOS-3-21452,Cn1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)c2)n1,SNIXTWLQFPASGR-UHFFFAOYSA-N,3,1,0.27,99,719,435.415,1.291,6,0.394,0.63,0.542,0.07287026249057638,0.05567644438352409,0.03057535467068741,0.03637516277157152,0.04887430607908985
EOS-3-21453,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)c(F)c1,OXHXUPSWZBOWLZ-UHFFFAOYSA-N,3,1,0.485,61,229,485.483,2.26,6,0.381,0.88,1.0,0.07091700363237612,0.07092557055719279,0.012884654924268385,0.04914844767322322,0.050968919196765126
EOS-3-21454,OCc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)cn1,FWCSPIWNKGCUSG-UHFFFAOYSA-N,3,1,0.482,65,282,427.428,1.547,5,0.407,0.68,1.0,0.5218627921321363,0.48106709615516413,0.14369302994996916,0.10856863820163114,0.31379788910972517
EOS-3-21455,Clc1cc(-c2nccnn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,SRRXHGDFNFHKIC-UHFFFAOYSA-N,3,1,0.524,20,658,431.847,2.708,5,0.4,0.62,1.0,0.7493831814131999,0.8782639983551505,0.23709821122609828,0.289998971969022,0.5386860907408677
EOS-3-21458,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)cn5)n34)cc2)nc1,PSPDOAIITZNARB-UHFFFAOYSA-N,3,1,0.462,56,8,461.449,2.469,6,0.361,0.65,1.0,0.5272428209170036,0.3671184291686656,0.17190391337125627,0.14484099787540264,0.30277654033308204
EOS-3-21459,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc1F,LHQRKRQLAHGGBR-UHFFFAOYSA-N,3,1,0.518,16,772,437.385,3.583,5,0.391,0.68,1.0,0.752270235076417,0.6070608594338976,0.8846120896443013,0.8422315125762456,0.7715436741827153
EOS-3-21460,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)cnc5F)n34)c2)nc1,ZYROVJXUWJLYPL-UHFFFAOYSA-N,3,1,0.465,2,491,452.812,3.549,5,0.373,0.69,1.0,0.8440305667877459,0.8166335412240422,0.6989582619422932,0.7192533068329793,0.7697189191967652
EOS-3-21461,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5cncnc5C(F)F)c4)n23)cc1F,SNPWIFFPFKSQHC-UHFFFAOYSA-N,3,1,0.312,74,413,477.41,3.142,5,0.41,0.69,1.0,0.30366321705160715,0.34794565142896305,0.679982523473374,0.5669419505174422,0.4746333356178466
EOS-3-21462,Cc1nc(-c2ncccc2F)cc(-c2nnc3cncc(OCCc4cccnc4F)n23)n1,TUHUMXQNRPKDGF-UHFFFAOYSA-N,3,1,0.427,18,531,446.421,3.246,5,0.366,0.68,0.999,0.7433606332670825,0.5539373586457406,0.3428311973134124,0.35575011993694744,0.4989698272907957
EOS-3-21463,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccnc(Cl)c5)n4C)n23)cc1,OKMRWKJGDQHJNV-UHFFFAOYSA-N,3,1,0.342,8,890,469.9,3.098,6,0.361,0.73,1.0,0.16476766499897197,0.19772462476869304,0.11156706188746487,0.18745288191350834,0.16537805839215958
EOS-3-21464,Cn1nncc1-c1cc(F)ccc1-c1nnc2cncc(-c3ccc(-c4ncnn4C)nc3)n12,FWRPJIIXSRJYLO-UHFFFAOYSA-N,3,1,0.31,98,314,453.445,2.583,6,0.4,0.6,1.0,0.13973511068466862,0.24775546569803303,0.20169111095881023,0.2396254540470153,0.2072017853471318
EOS-3-21465,Cn1nncc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c(F)c1,KGHDVNNLWDZQRU-UHFFFAOYSA-N,3,1,0.465,13,145,439.813,4.311,5,0.415,0.71,1.0,0.49904907134534987,0.6645791926530052,0.8758995271057501,0.8962973750942361,0.7339562915495854
EOS-3-21466,OCc1ccc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5cscn5)c4)n23)c1,HDGGGINZOVCWCI-UHFFFAOYSA-N,3,1,0.511,57,709,451.458,4.264,5,0.415,0.75,1.0,0.922477897333973,0.8127698581317251,0.9261959427044069,0.902465560962237,0.8909773147830855
EOS-3-21467,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)ncc4F)n23)cc1F,MXCVRRSRGUCLCK-UHFFFAOYSA-N,3,1,0.453,89,788,478.419,2.762,5,0.391,0.73,1.0,0.5719021999862929,0.36215817969981495,0.377116030429717,0.2780995133986704,0.3973189808786238
EOS-3-21468,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)cc4)n23)c(-c2ccccn2)n1,JMNBILCUYBMMAT-UHFFFAOYSA-N,3,1,0.271,9,339,445.49,4.019,6,0.404,0.69,1.0,0.023045027756836405,0.04465081214447262,0.2989428414776232,0.2989856761017065,0.16640608937015966
EOS-3-21469,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)c(C)n4)n23)n(C)n1,AIPSJGDTKRAKTL-UHFFFAOYSA-N,3,1,0.409,31,662,430.447,3.317,5,0.422,0.68,0.998,0.3434651497498458,0.3479542183537797,0.21568089918442876,0.1683743403467891,0.2688686519087109
EOS-3-21470,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)cc1,RRRXCIBAIQYCGF-UHFFFAOYSA-N,3,1,0.309,98,927,422.416,1.624,6,0.416,0.65,1.0,0.012190734014118292,0.014752244534301967,0.03981906654787198,0.04915701459803989,0.028979764923583035
EOS-3-21471,Fc1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(C(F)(F)F)cn5)cn4)n23)cc1,RBRFKGABEONRSG-UHFFFAOYSA-N,3,1,0.507,27,412,453.359,4.594,5,0.368,0.81,1.0,0.8938643684463026,0.9251764786512233,0.9707782194503461,0.9402542663285587,0.9325183332191077
EOS-3-21472,COc1ncc(-c2nnc3cncc(OCc4cnc(-c5cncc(F)c5)cn4)n23)cn1,PZQFKDFXRHTHBD-UHFFFAOYSA-N,3,1,0.456,7,535,431.391,2.16,5,0.395,0.65,1.0,0.5774021657185937,0.4501576314166267,0.22273147830854637,0.155018504557604,0.3513274450003427
EOS-3-21473,Fc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccn2)c1,NWZPDNNSFUOEGM-UHFFFAOYSA-N,3,1,0.371,45,575,420.81,4.847,5,0.417,0.85,1.0,0.47430779247481325,0.7410989651154821,0.9522479610718936,0.9689791652388459,0.7841584709752587
EOS-3-21475,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(F)c1,RCJMAODWJWILIY-UHFFFAOYSA-N,3,1,0.522,37,908,448.437,3.364,5,0.377,0.69,1.0,0.697570420121993,0.6168100198752656,0.4814269069974642,0.4789424988006305,0.5686874614488383
EOS-3-21476,Clc1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)nn2)cn1,DJCGFJGFOQKVKS-UHFFFAOYSA-N,3,1,0.295,70,957,464.88,3.816,6,0.358,0.73,0.998,0.21203995613734494,0.3088719073401412,0.36187547118086494,0.46374477417586185,0.3366330272085532
EOS-3-21477,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncc(F)c5)c4)n23)nc1,KPIXDIVDSDMIPO-UHFFFAOYSA-N,3,1,0.373,33,348,470.468,3.111,5,0.385,0.68,1.0,0.5398104996230553,0.2781594818723871,0.35452504968816395,0.25432629703241727,0.3567053320540059
EOS-3-21478,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)nn5)n4)n23)cc1,PLJNBZHBCWISDC-UHFFFAOYSA-N,3,1,0.31,8,890,441.394,1.159,6,0.391,0.6,1.0,0.02510108971283668,0.15594373243780413,0.02403879103556987,0.039956137344938664,0.06125993763278733
EOS-3-21479,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)nc2)ccn1,UOUCYDYUEAGFMR-UHFFFAOYSA-N,3,1,0.441,18,699,431.406,3.543,5,0.38,0.71,1.0,0.6825954355424577,0.7317438832156808,0.6255568501130834,0.6368480570214515,0.6691860564731684
EOS-3-21480,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)nc2C)n(C)n1,PGXNUTDKWLPDSR-UHFFFAOYSA-N,3,1,0.43,31,690,427.472,2.615,5,0.407,0.69,1.0,0.27943595367007057,0.1442927146871359,0.04277465560962237,0.022171201425536288,0.12216863134809128
EOS-3-21481,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cc(C)nc(C)n5)nc4C)n23)cn1,CVUXGEDEOMOBIA-UHFFFAOYSA-N,3,1,0.427,7,567,439.483,3.246,5,0.407,0.65,1.0,0.38047426495785075,0.18877218833527518,0.08177986429991091,0.03330820368720444,0.17108363032006033
EOS-3-21482,Fc1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1nncc(Cl)n1,SNRPTFMSJDTXQE-UHFFFAOYSA-N,3,1,0.413,34,358,452.28,4.68,5,0.394,0.73,1.0,0.5424833801658556,0.7756579398259201,0.8244722774312933,0.9060037009115208,0.7621543245836475
EOS-3-21483,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5sncc5C)n34)c2)cn1,FWROFTNQIGHGMK-UHFFFAOYSA-N,3,1,0.506,16,85,433.472,4.04,5,0.413,0.71,1.0,0.47674936604756357,0.5356898087862381,0.3618840381056816,0.3271108902748269,0.4253585258035776
EOS-3-21484,CCc1ncc(COc2cncc3nnc(-c4cncc(-c5nnc(C)s5)c4)n23)cn1,QVGLNYMEUPITKF-UHFFFAOYSA-N,3,1,0.444,92,142,431.485,2.945,5,0.4,0.69,1.0,0.29860016448495647,0.20710540744294428,0.033111164416421084,0.019798163251319306,0.1396537248989103
EOS-3-21485,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)nc(C)n5)cnn4)n23)nc1,CSNBNKZNONBCDK-UHFFFAOYSA-N,3,1,0.386,33,53,468.481,1.989,5,0.392,0.65,0.999,0.27397025563703653,0.07783051195942704,0.06880954012747584,0.020534918785552737,0.11028630662737303
EOS-3-21486,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cn2)cn1,HTBVWGFKHHNTSE-UHFFFAOYSA-N,3,1,0.49,65,468,430.447,3.225,5,0.391,0.7,1.0,0.4743163593996299,0.454715235419094,0.3807826742512508,0.32711945719964364,0.40923343156740455
EOS-3-21487,Fc1cc(-c2cccnc2F)cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c1,GLBIIUVQSBXJAU-UHFFFAOYSA-N,3,1,0.542,97,439,434.381,4.245,5,0.385,0.74,1.0,0.9003409636077033,0.8581145911863477,0.9368960318004249,0.9245082585155233,0.9049649612774997
EOS-3-21488,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5)n4)n23)nc1,WEBSOQULJDPGCZ-UHFFFAOYSA-N,3,1,0.317,10,952,439.418,2.369,6,0.411,0.6,0.814,0.015394763895552053,0.13689945857035157,0.16539305051058872,0.22462476869302994,0.13557801041738057
EOS-3-21489,Cc1ccnnc1-c1cnc(C)c(COc2cncc3nnc(-c4ccc(F)cc4)n23)c1,CYSBTPSULDUQML-UHFFFAOYSA-N,3,1,0.571,43,32,427.443,3.978,5,0.419,0.68,1.0,0.8919967788362689,0.8008361318621068,0.5766825440339935,0.5175279281749023,0.696760845726818
EOS-3-21490,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)nn1,LQWIDOXGQUJNAR-UHFFFAOYSA-N,3,1,0.462,50,542,421.371,2.645,5,0.426,0.73,1.0,0.1591991638681379,0.32390686039339317,0.617058460694949,0.5858320197381948,0.4214991261736687
EOS-3-21491,Cc1nc(-c2cnn(C)c2)c(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)cc1F,ADQBTFJFTFLXHH-UHFFFAOYSA-N,3,1,0.35,14,81,433.878,4.279,5,0.423,0.72,0.998,0.2120485230621616,0.29888287300390654,0.6636111301487219,0.7113117675279281,0.4714635734356796
EOS-3-21492,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)nn1,KTXKMEGSMUTAEL-UHFFFAOYSA-N,3,1,0.256,99,421,435.415,1.291,6,0.394,0.62,0.827,0.03919368103625523,0.019335549311219245,0.020235076416969363,0.02646323075868686,0.026306884380782672
EOS-3-21493,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)c(F)c2)cs1,WCDNAZKRQQSXNF-UHFFFAOYSA-N,3,1,0.56,35,684,438.513,4.44,5,0.39,0.78,1.0,0.8062932629703242,0.8166421081488588,0.36189260503049825,0.34960763484339663,0.5836089027482695
EOS-3-21494,Cc1cnc(CCOc2cncc3nnc(-c4cc(F)cc(-c5ccccn5)c4)n23)cn1,OSEXUTTVEDXSRZ-UHFFFAOYSA-N,3,1,0.506,11,846,427.443,3.712,5,0.408,0.69,1.0,0.712759577821945,0.6596789116578713,0.44986635597285995,0.42910013021725724,0.5628512439174833
EOS-3-21495,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)cn1,YMYOTOWRNXWKBM-UHFFFAOYSA-N,3,1,0.571,84,858,427.443,3.712,5,0.408,0.69,1.0,0.7283085463641971,0.727049208416147,0.5858491535878281,0.5408470975258721,0.645513501473511
EOS-3-21496,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncc4F)n23)cc1,TYUIAOFOCDOOFL-UHFFFAOYSA-N,3,1,0.524,43,97,447.861,4.323,5,0.396,0.7,1.0,0.9398430539373587,0.9008806798711535,0.7351021177438147,0.7326519772462476,0.8271194571996436
EOS-3-21497,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)n1,WRLGGCUSEIBYQL-UHFFFAOYSA-N,3,1,0.511,16,772,447.861,4.323,5,0.396,0.7,1.0,0.9379497635528751,0.8807741073264341,0.7245390994448633,0.7165204578164622,0.8149458570351586
EOS-3-21498,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cn4)n23)c1F,ONJFNTDRUYKAFE-UHFFFAOYSA-N,3,1,0.409,46,162,447.861,4.323,5,0.396,0.7,1.0,0.8344099102186279,0.7456737029675827,0.7194246453293126,0.7053920224796107,0.7512250702487835
EOS-3-21499,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncc4F)n23)nc1,IRNVZWVFAAVJFU-UHFFFAOYSA-N,3,1,0.414,46,775,436.357,3.035,5,0.414,0.59,1.0,0.8246350490028099,0.7363528887670482,0.6229353711191831,0.6396323075868686,0.7058889041189774
EOS-3-21500,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)nn2C)cn1,CPSUMOUJYRVBDH-UHFFFAOYSA-N,3,1,0.407,92,564,423.387,2.178,5,0.427,0.67,0.998,0.33416146939894453,0.18878075526009183,0.4463025152491262,0.3943698170104859,0.3409036392296621
EOS-3-21501,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4cccnc4F)ncn3)n12,ORGMJLOTLMSXQL-UHFFFAOYSA-N,3,1,0.387,13,971,437.797,4.367,5,0.385,0.75,0.997,0.6645020903296552,0.7270577753409636,0.8515009252278802,0.878066959084367,0.7802819374957165
EOS-3-21502,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)ccn1,GZOGOXVETWEJPV-UHFFFAOYSA-N,3,1,0.473,75,278,448.849,3.452,5,0.364,0.68,0.999,0.7522788020012336,0.7756665067507368,0.4883746830237818,0.537420327599205,0.6384350798437394
EOS-3-21503,c1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)cc1,QTSWAUKVCLIILN-UHFFFAOYSA-N,3,1,0.293,32,945,434.488,4.434,6,0.405,0.74,1.0,0.06886094167637585,0.11019635391679802,0.2192618737577959,0.2840192584469879,0.1705846069494894
EOS-3-21504,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)cc2)nc1,QATSTBYPQIMQKB-UHFFFAOYSA-N,3,1,0.324,38,983,434.488,4.434,6,0.405,0.74,1.0,0.07894421218559386,0.15595229936262078,0.3506185319717634,0.3496162017682133,0.23378281132204784
EOS-3-21505,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1nccn1C,JSSDVHLUWOBRRJ-UHFFFAOYSA-N,3,1,0.398,31,690,444.474,3.571,5,0.395,0.69,0.462,0.42964841340552395,0.40059797135220343,0.1752707148242067,0.12693612500856694,0.28311330614762525
EOS-3-21506,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccccn1,GTWNOSUSPLZYGW-UHFFFAOYSA-N,3,1,0.518,97,89,432.846,4.62,5,0.403,0.75,1.0,0.9455229250908094,0.9008892467959702,0.8677095469810157,0.8824103899664176,0.8991330272085531
EOS-3-21507,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)cn2)cnn1,PIIDSJSFFHGBFH-UHFFFAOYSA-N,3,1,0.306,70,899,446.478,3.414,6,0.405,0.64,0.995,0.07287882941539305,0.04465937906928929,0.24783256802138304,0.2103694057980947,0.14393504557604003
EOS-3-21508,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ncccc4Cl)n23)c(F)c1,PSUDPSGSQRATRX-UHFFFAOYSA-N,3,1,0.365,26,412,435.85,4.655,5,0.399,0.77,1.0,0.6887550544856418,0.6841289150846412,0.6907854156671921,0.6860307723939415,0.6874250394078542
EOS-3-21509,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4cncc(-c5nnnn5C)c4)n23)cn1,KVZUIVNALLRTGO-UHFFFAOYSA-N,3,1,0.282,86,899,448.454,2.204,6,0.394,0.63,1.0,0.026351860736070182,0.03452470701117127,0.04758070043177301,0.0542886025632239,0.04068646768555959
EOS-3-21510,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5cnco5)cn4)n23)c1,GLECEMHUUCAFSL-UHFFFAOYSA-N,3,1,0.284,86,213,423.4,2.094,6,0.414,0.65,1.0,0.08543794119662806,0.04466794599410596,0.06468884929065863,0.08636316907682819,0.07028947638955521
EOS-3-21511,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nn[nH]n5)cc4)n23)c(F)c1,QAVVXRGMKWDZSV-UHFFFAOYSA-N,3,1,0.417,61,740,415.392,1.8,5,0.446,0.76,1.0,0.33655164142279487,0.3239154273182099,0.35811459118634775,0.3238468919196765,0.33560713796175723
EOS-3-21512,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5nnn(C)n5)c4)n23)cc1,SQNPCTHLFWJYCJ-UHFFFAOYSA-N,3,1,0.588,43,258,416.42,3.008,5,0.435,0.76,1.0,0.6975789870468097,0.5401360427660887,0.42446542389143993,0.40050373517922006,0.5156710472208896
EOS-3-21514,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)s5)n34)cc2)nc1,DQUCBYIDSXWUQV-UHFFFAOYSA-N,3,1,0.356,38,983,442.439,4.166,6,0.4,0.71,1.0,0.36883181413199917,0.432638270166541,0.3392587896648619,0.37225001713384964,0.3782447227743129
EOS-3-21515,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncn5)n34)cc2F)cn1,ZGBRNDFMWQKYAI-UHFFFAOYSA-N,3,1,0.511,87,426,428.431,3.107,5,0.406,0.66,1.0,0.8644027140017819,0.820454389692276,0.41687512850387226,0.36266362826399834,0.616098965115482
EOS-3-21516,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ccc2F)cn1,NPJGSPJNBSPZES-UHFFFAOYSA-N,3,1,0.54,65,361,428.431,3.107,5,0.406,0.65,1.0,0.9115208004934549,0.8807826742512508,0.46054931121924475,0.41327702008087175,0.6665324515112057
EOS-3-21517,c1cncc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)c1,PGEAEDOHFDJYQQ-UHFFFAOYSA-N,3,1,0.235,86,953,431.423,2.557,6,0.41,0.62,0.985,0.07092557055719279,0.04821465286820643,0.14661435131245287,0.17102152011513946,0.10919402371324788
EOS-3-21518,OCc1cccc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)cc(F)n2)n1,HQVWYQVNJLFBPI-UHFFFAOYSA-N,3,1,0.378,24,912,449.833,3.72,5,0.404,0.7,1.0,0.6613665958467548,0.6938266739771092,0.6109588102254815,0.607155095606881,0.6433267939140566
EOS-3-21519,N#Cc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)n2)n1,ZFBWHKWZRCZQCH-UHFFFAOYSA-N,3,1,0.5,4,10,442.389,3.372,5,0.407,0.66,1.0,0.737106778150915,0.8519035706942636,0.727254814611747,0.727100609965047,0.7608414433554932
EOS-3-21520,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)n1,MIBJMEPDIVFALP-UHFFFAOYSA-N,3,1,0.5,20,353,430.447,3.051,5,0.408,0.67,1.0,0.7980518812966897,0.7270663422657803,0.2882513193064218,0.23368000822424784,0.5117623877732849
EOS-3-21521,CCc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)n2)cc1,ZENRHTYOPMXCHK-UHFFFAOYSA-N,3,1,0.32,3,39,447.506,4.002,6,0.397,0.7,1.0,0.01454663833870194,0.06718182441230895,0.36930299499691593,0.31173326022890824,0.19069117949420877
EOS-3-21522,Cn1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)cc1-c1ccccc1,XMDFMVPWVNZYPM-UHFFFAOYSA-N,3,1,0.5,43,266,418.407,4.049,5,0.431,0.8,0.997,0.5041292577616339,0.42805496538962373,0.7706976903570695,0.7923034747447056,0.6237963470632581
EOS-3-21523,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(F)n5)n4)n23)nc1,LIPNTMXFYFGFMY-UHFFFAOYSA-N,3,1,0.257,99,952,440.406,1.764,6,0.376,0.65,0.704,0.019926667123569324,0.12659344801590022,0.05313206771297375,0.07592008772531013,0.06889306764443835
EOS-3-21524,FCc1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cc1F,QZTKBGOCMXKMAL-UHFFFAOYSA-N,3,1,0.541,90,281,420.782,3.604,4,0.443,0.67,1.0,0.9566256596532109,0.9591100678500446,0.7636556781577685,0.8075183332191077,0.871727434720033
EOS-3-21525,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cncc(-c4ncccn4)c3)n12,LIJXAIJVNHVQHY-UHFFFAOYSA-N,3,1,0.494,2,491,434.822,3.41,5,0.414,0.64,1.0,0.6458861627030361,0.6793057364128572,0.5230021931327531,0.557381262422041,0.6013938386676718
EOS-3-21526,CCCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,GBFZDFSUTIGNRC-UHFFFAOYSA-N,3,1,0.58,15,545,425.496,4.081,5,0.373,0.8,1.0,0.31411486532794186,0.14072030703858543,0.3061476252484408,0.260134672058118,0.2552793674182715
EOS-3-21528,COc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(C)c5)ncn4)n23)ccn1,NZDWLYLBWXPYHF-UHFFFAOYSA-N,3,1,0.406,44,488,443.442,3.678,5,0.392,0.69,1.0,0.6429819751901857,0.5447707490919059,0.6408488109108355,0.4910989651154821,0.5799251250771024
EOS-3-21529,COc1cc(COc2cncc3nnc(-c4cccc(-c5ncc(Cl)cn5)c4)n23)ncn1,FDWKRRUTYUMMIG-UHFFFAOYSA-N,3,1,0.506,4,921,446.858,3.279,5,0.387,0.63,1.0,0.6118669042560483,0.6119354396545816,0.3467462819546296,0.2809522993626208,0.46287523130697006
EOS-3-21530,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)nc1,YXIBDPSAAUCRBK-UHFFFAOYSA-N,3,1,0.5,51,19,422.861,3.332,5,0.424,0.69,1.0,0.7037300390651772,0.7224145020903296,0.23006476595161401,0.2749297512165033,0.482784764580906
EOS-3-21531,COc1ncc(F)c(F)c1COc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,PSKKCRVYARPTRX-UHFFFAOYSA-N,3,1,0.5,72,22,447.405,3.509,5,0.39,0.68,1.0,0.8532485778904805,0.7270749091905969,0.6716554725515729,0.5733928449043931,0.7063429511342608
EOS-3-21532,Cc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCc3cnc(CO)cn3)n12,VUBSXZCAOOYZGR-UHFFFAOYSA-N,3,1,0.415,7,85,444.43,2.557,5,0.393,0.67,1.0,0.6035141525597971,0.6168185868000823,0.34675484887944624,0.27200842985401963,0.4597740045233364
EOS-3-21533,Cn1c(F)nnc1-c1ncc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)cn1,ZASZUVVHTSAHQC-UHFFFAOYSA-N,3,1,0.531,36,863,428.391,1.967,5,0.412,0.64,1.0,0.8370827907614283,0.7363614556918648,0.17191248029607292,0.1956257281886094,0.4852456137344939
EOS-3-21534,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cnn1,KQHNLRISFZXYOI-UHFFFAOYSA-N,3,1,0.523,4,439,448.849,3.718,5,0.4,0.65,1.0,0.5218713590569529,0.6354173805770681,0.6285895414981838,0.6307398396271674,0.6041545301898431
EOS-3-21535,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cn5)n34)cn2)cn1,CRKUSCQIECYBRO-UHFFFAOYSA-N,3,1,0.318,32,392,451.881,4.354,6,0.396,0.74,0.801,0.15667192104722089,0.2988914399287232,0.5699575080529093,0.6134432184223151,0.40974102186279215
EOS-3-21536,Cn1c(C#N)cnc1-c1nc(COc2cncc3nnc(-c4ccc(F)cn4)n23)ccc1F,PKVQWYUFZISQRJ-UHFFFAOYSA-N,3,1,0.396,46,128,445.393,2.711,5,0.405,0.66,0.999,0.5476406689054897,0.5539459255705572,0.39553491878555275,0.41639538071413884,0.4783792234939346
EOS-3-21537,O=C(c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(O)C5)cn4)n23)cc1)N1CCOCC1,ALIQRMYCOIRECU-UHFFFAOYSA-N,3,1,0.464,0,175,485.504,1.142,6,0.456,0.85,1.0,0.07093413748200945,0.0042320608594338975,0.002141731204166952,0.004694674799533959,0.020500651086286067
EOS-3-21538,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2F)s1,OKIYJYWLIIYHNP-UHFFFAOYSA-N,3,1,0.541,20,846,434.46,3.169,5,0.401,0.67,1.0,0.6258052909327668,0.7179082996367624,0.16231752450140496,0.17103008703995615,0.4192653005277226
EOS-3-21539,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)cc1F,PWZJTUPXOIQJDP-UHFFFAOYSA-N,3,1,0.628,13,573,438.825,4.916,5,0.398,0.79,1.0,0.8848690973888013,0.842043040230279,0.9516911109588102,0.9539784798848605,0.9081454321156878
EOS-3-21540,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nncn6C)c5)n34)nc2)n1C,BWUKTKVVLMSDSW-UHFFFAOYSA-N,3,1,0.255,99,652,449.482,2.753,6,0.403,0.61,1.0,0.06316393667329176,0.021494414365019532,0.12327804811184977,0.09606092796929615,0.0759993317798643
EOS-3-21541,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cc2)n1,BZFJCXLTICKYGA-UHFFFAOYSA-N,3,1,0.553,15,320,433.863,2.652,5,0.376,0.66,1.0,0.6549499691590707,0.6990010965663765,0.15917346309368788,0.15243129326297034,0.41638895552052635
EOS-3-21542,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,QXNIGYBSGMKSBS-UHFFFAOYSA-N,3,1,0.333,30,668,433.45,4.845,6,0.398,0.77,1.0,0.01309882804468508,0.22223459666917963,0.817233225961209,0.8404752929888287,0.4732604859159756
EOS-3-21543,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6cccn6)n5)n34)cc2)nn1,XTIVSPJQHFKAIX-UHFFFAOYSA-N,3,1,0.324,98,865,420.44,2.834,6,0.432,0.68,1.0,0.0074617915153176615,0.011282639983551505,0.19830717565622644,0.1983414433554931,0.10384826262764718
EOS-3-21544,Cc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnnn4C)cc3F)n12,BTLZTVIVVOBYID-UHFFFAOYSA-N,3,1,0.534,37,79,430.447,3.051,5,0.408,0.67,1.0,0.5165769995202522,0.5127475841272017,0.44631108217394283,0.38493763278733467,0.46514332465218283
EOS-3-21545,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cn5)n34)cn2)nc1,JPWNEUHEHKTJPN-UHFFFAOYSA-N,3,1,0.304,32,557,419.408,3.36,6,0.423,0.72,1.0,0.17542491947090672,0.12980604482215063,0.21243403467891167,0.20722534439037762,0.18122258584058668
EOS-3-21546,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(C#N)c5)cn4)n23)nc1,XVWLMKLREHRORS-UHFFFAOYSA-N,3,1,0.398,33,53,464.449,1.849,5,0.393,0.66,1.0,0.43627921321362484,0.21687170173394557,0.23710677815091494,0.14239942430265232,0.2581642793502844
EOS-3-21547,Clc1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)nc1,VZNPDAJBIHEVTC-UHFFFAOYSA-N,3,1,0.38,96,856,420.263,4.617,5,0.424,0.81,1.0,0.23117846617778082,0.3954321156877527,0.6497070111712699,0.822262010828593,0.5246449009663491
EOS-3-21548,Cn1cnnc1-c1cnc(F)c(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c1,JFCCFYACMRFDRH-UHFFFAOYSA-N,3,1,0.466,55,875,421.371,2.234,5,0.398,0.71,1.0,0.5745579466794599,0.46780549653896236,0.3955434857103694,0.3754026454663834,0.4533273935987938
EOS-3-21549,Cc1cc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cccnn5)c4)n23)ccc1F,HWGBHPNQIAKLTE-UHFFFAOYSA-N,3,1,0.36,14,358,430.874,4.94,5,0.404,0.81,1.0,0.4573281474881776,0.5219313275306696,0.8987560825166199,0.9160698375711055,0.6985213487766432
EOS-3-21550,Cc1cc(-c2ccc(-c3nnc4cncc(Cc5cccc(Cl)c5F)n34)nc2)ccn1,RHELOPCIYBWITA-UHFFFAOYSA-N,3,1,0.371,14,358,430.874,4.94,5,0.404,0.81,0.677,0.3641714070317319,0.41921389897882255,0.87461448838325,0.8866938523747515,0.6361734116921389
EOS-3-21551,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c(-c2ccncc2)n1,MFXJPAHBTQWWRB-UHFFFAOYSA-N,3,1,0.311,32,191,443.474,4.076,6,0.401,0.66,1.0,0.15118052223973683,0.09420190528407922,0.3210455075046261,0.31481735316290865,0.2203113220478377
EOS-3-21552,Cc1ccc(-c2ncc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)cn2)nn1,QAOFMJXAINDLSA-UHFFFAOYSA-N,3,1,0.26,10,880,445.45,2.866,6,0.399,0.61,0.843,0.0615019532588582,0.011291206908368172,0.0646974162154753,0.0939962990884792,0.05787171886779522
EOS-3-21553,N#Cc1ccc(Oc2cncc3nnc(-c4cc(F)cc(-c5ccc(F)nn5)c4)n23)cc1,BSLZYYAXOVOQPY-UHFFFAOYSA-N,3,1,0.488,13,613,427.374,4.19,5,0.424,0.67,1.0,0.8790521554382839,0.7965012679048729,0.9130971146597218,0.9105270372147214,0.8747943938044
EOS-3-21554,Cc1csc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,ABFFEFGZSAUFTP-UHFFFAOYSA-N,3,1,0.303,38,193,451.519,4.081,6,0.398,0.71,1.0,0.04358851346720581,0.10034439037763004,0.12876087999451716,0.12897505311493387,0.10041720923857173
EOS-3-21555,c1cnc(-c2ccnc(COc3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)n2)cn1,KARBTORNTASROK-UHFFFAOYSA-N,3,1,0.361,80,874,462.437,1.864,6,0.354,0.67,1.0,0.3960917688986361,0.32392399424302654,0.06470598314029197,0.051641422794873555,0.20909079226920704
EOS-3-21556,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)ncn2)cn1,IKWCYGJHQSYSLD-UHFFFAOYSA-N,3,1,0.392,51,113,449.837,3.113,5,0.398,0.63,0.243,0.6063326708244808,0.5727931601672264,0.4244739908162566,0.4195822767459393,0.5057955246384758
EOS-3-21557,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nc(C)cn5C)c4)n23)cc1F,KCISBGNGJQVAPR-UHFFFAOYSA-N,3,1,0.484,16,788,472.484,2.973,5,0.404,0.73,1.0,0.5398190665478719,0.3330392022479611,0.3619011719553149,0.22186621890206293,0.36415641491330275
EOS-3-21558,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)nn1,RWHNGANBLNAYPT-UHFFFAOYSA-N,3,1,0.49,87,142,428.431,3.107,5,0.406,0.67,1.0,0.6645106572544719,0.659687478582688,0.4463196490987595,0.4005123021040367,0.542757521759989
EOS-3-21559,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ncn2)cn1,ITKXYCRNHMFAPH-UHFFFAOYSA-N,3,1,0.44,18,194,428.431,3.107,5,0.406,0.64,0.995,0.7070283051195942,0.5976286752107464,0.44279864299910904,0.38829586731546845,0.5339378726612295
EOS-3-21560,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)nn1,JIJCBCKHIUDOPT-UHFFFAOYSA-N,3,1,0.447,18,88,428.431,3.107,5,0.406,0.64,1.0,0.614608320197382,0.5040007538893838,0.3991587279830032,0.35276026317593034,0.4676320163114248
EOS-3-21561,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)cn2)cs1,MSWDNDMVVPYICZ-UHFFFAOYSA-N,3,1,0.505,58,579,450.915,3.683,5,0.386,0.71,1.0,0.5948958261942293,0.7543691316565005,0.15585806318963744,0.1683829072716058,0.4183764820779933
EOS-3-21562,COCc1nc(-c2ccc(F)nc2)nc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)n1,XYIMUMCROGVNBT-UHFFFAOYSA-N,3,1,0.36,82,849,458.417,1.485,5,0.369,0.64,0.978,0.3266397094099102,0.24266671235693235,0.039827633472688646,0.031183606332670824,0.1600794153930505
EOS-3-21563,Cc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cncc(F)c3F)n12,CPLARAPDEIXUBU-UHFFFAOYSA-N,3,1,0.444,55,564,432.394,3.204,5,0.417,0.63,0.958,0.8140891645534919,0.6501096566376533,0.5666078404495922,0.5239359879377699,0.6386856623946269
EOS-3-21564,Cc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3c(F)cncc3F)n12,UVNJVIZLUBIPOD-UHFFFAOYSA-N,3,1,0.46,73,980,432.394,3.204,5,0.417,0.65,0.999,0.8063018298951409,0.6891834007264752,0.4605578781440614,0.4291086971420739,0.5962879514769378
EOS-3-21565,COc1ccc(-c2ncccc2-c2nnc3cncc(OCc4ccnc(CO)c4)n23)cn1,SMCZQUQZFVEACO-UHFFFAOYSA-N,3,1,0.423,97,879,441.451,2.723,5,0.406,0.67,0.91,0.3781440614077171,0.2477640326228497,0.3991672949078199,0.24248680693578234,0.31689054896854224
EOS-3-21566,Cc1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nn2)nn1,VWGYDQZHUQFKSX-UHFFFAOYSA-N,3,1,0.363,10,342,433.439,2.594,6,0.412,0.62,0.913,0.002013227331916935,0.01129977383318484,0.07755637036529367,0.11093310945103146,0.05045062024535672
EOS-3-21567,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)nc2)cnn1,ZAUUSQFHBKSSEK-UHFFFAOYSA-N,3,1,0.257,10,952,433.439,2.594,6,0.412,0.62,0.978,0.002595778219450346,0.014760811459118634,0.07529470221369337,0.10009594955794668,0.04818681036255226
EOS-3-21568,COc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ccnc(C)n3)n12,DIMSHIJIVQERHN-UHFFFAOYSA-N,3,1,0.489,87,710,440.467,2.977,5,0.377,0.69,1.0,0.4767579329723802,0.23221506408059764,0.12041669522308272,0.06488588856144198,0.22356889520937565
EOS-3-21569,Cc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nccn5C)nn4)n23)c1,KBYFWCOAQBMZFZ-UHFFFAOYSA-N,3,1,0.233,99,356,447.466,2.809,6,0.401,0.63,0.558,0.056241861421424164,0.00797580700431773,0.06661640737440888,0.08817935713796175,0.054753358234528135
EOS-3-21570,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)cn2)cc1,RINQSUZOFZMTNJ-UHFFFAOYSA-N,3,1,0.303,30,541,418.424,3.095,6,0.463,0.7,0.953,0.09514426701391268,0.13690802549516826,0.19831574258104312,0.2691299431156192,0.17487449455143583
EOS-3-21571,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c(=O)c5)cc4F)n23)c(C)n1,QSZOVMAVAUBJQW-UHFFFAOYSA-N,3,1,0.452,4,470,457.469,3.282,5,0.399,0.67,1.0,0.5116510177506682,0.47203755739839626,0.5019960934822836,0.397411075320403,0.47077393598793776
EOS-3-21572,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cnn1,NGONWRJMPSMYIC-UHFFFAOYSA-N,3,1,0.495,72,482,448.849,3.452,5,0.389,0.66,1.0,0.7578044685079843,0.8612929202933315,0.45365293674182716,0.5669505174422589,0.6599252107463505
EOS-3-21573,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5nc(-c6cncnc6)ccc5F)n34)n2)c1,VINJLRMVVLAKDJ-UHFFFAOYSA-N,3,1,0.271,10,952,455.392,2.564,6,0.394,0.62,1.0,0.006399492838050853,0.16742341169213898,0.21244260160372833,0.33679151531766155,0.18076425536289492
EOS-3-21574,Cn1nc(-c2nnc3cncc(OCc4ccc(CO)nn4)n23)cc1-c1ccccc1F,LIHMVEZGISOQLA-UHFFFAOYSA-N,3,1,0.43,95,965,432.419,2.192,5,0.434,0.66,0.675,0.37815262833253377,0.39079740936193547,0.26930984853676926,0.27493831814131997,0.3282995510931396
EOS-3-21575,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3cnc(-c4cccnc4)nc3)n12,JHRCXLKBPHGVJF-UHFFFAOYSA-N,3,1,0.506,27,343,449.396,4.299,5,0.382,0.75,1.0,0.917037900075389,0.9232746213419231,0.8939928723185525,0.8545850181618806,0.8972226029744362
EOS-3-21576,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)c2)n1,QHXBCPSXOFVORA-UHFFFAOYSA-N,3,1,0.518,36,506,424.877,3.276,5,0.427,0.68,1.0,0.3757710232335001,0.4326468370913577,0.21927044068261256,0.2278116647248304,0.3138749914330752
EOS-3-21577,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnn6)[nH]5)n34)nc2)cn1,SCLXWFBVEHQCAA-UHFFFAOYSA-N,3,1,0.29,70,407,449.438,2.499,6,0.416,0.6,0.808,0.2311870331025975,0.14430128161195258,0.12876944691933384,0.1157391542731821,0.1549992289767665
EOS-3-21578,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)s1,FVNSPPUTHCHNIM-UHFFFAOYSA-N,3,1,0.396,51,196,436.888,3.641,5,0.411,0.68,1.0,0.45733671441299434,0.45472380234391063,0.17837194160784045,0.187461448838325,0.3194734768007676
EOS-3-21580,Cn1cc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)cn1,QSEKAXJPLUYMAM-UHFFFAOYSA-N,3,1,0.494,13,374,437.385,4.456,5,0.404,0.76,1.0,0.5719107669111095,0.6743112192447399,0.9350798437392913,0.8919967788362689,0.7683246521828524
EOS-3-21581,Cc1ccnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c(F)c1,IMRRWSISIBOPMQ-UHFFFAOYSA-N,3,1,0.489,43,521,473.443,3.513,5,0.401,0.7,1.0,0.7725738468919197,0.42366013295867316,0.7324720718250977,0.6511462545404701,0.6449630765540402
EOS-3-21582,Cn1c(F)nnc1-c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)cc1,GQQNFVXQAPRUIZ-UHFFFAOYSA-N,3,1,0.383,61,476,437.389,3.044,5,0.417,0.6,1.0,0.3412291823726955,0.4192224659036392,0.4536615036666438,0.42283770817627303,0.4092377150298129
EOS-3-21583,Fc1cc(F)nc(COc2ncnc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)c1,WPUCEHNMUSNECT-UHFFFAOYSA-N,3,1,0.326,50,354,453.8,2.944,5,0.37,0.68,0.997,0.4840826536906312,0.679314303337674,0.43930333767390856,0.49420875882393256,0.5242272633815366
EOS-3-21584,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)c(Cl)c2)n1,FEFNEFLTGIJLFC-UHFFFAOYSA-N,3,1,0.494,16,772,447.861,4.323,5,0.396,0.71,1.0,0.906903228017271,0.8782725652799671,0.722071825097663,0.7139503803714619,0.8052994996915908
EOS-3-21585,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c(F)c2)n1,BNPQSCXJCCODLQ-UHFFFAOYSA-N,3,1,0.553,4,712,448.849,3.718,5,0.4,0.67,1.0,0.6489445548625865,0.8166506750736755,0.5431516003015557,0.579766636967994,0.6471283668014529
EOS-3-21586,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(C)c(F)c5)n34)ncn2)n1,UUFOZIKWRFQSHL-UHFFFAOYSA-N,3,1,0.473,36,463,429.419,2.768,5,0.416,0.64,1.0,0.5774107326434104,0.6449695017476527,0.2585069563429511,0.23075011993694744,0.4279093276677404
EOS-3-21587,Cc1ncc(C)c(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)n1,IDJXMJWFSHEZGV-UHFFFAOYSA-N,3,1,0.541,7,212,444.886,3.888,5,0.402,0.69,1.0,0.7953018984305393,0.8940956754163526,0.2917466246316222,0.30549653896237405,0.571660184360222
EOS-3-21588,Cn1cc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)ncn2)cn1,LDIPFFTYJBOHOO-UHFFFAOYSA-N,3,1,0.313,86,421,449.438,2.626,6,0.386,0.64,1.0,0.3036717839764238,0.14807929545610307,0.20889589472962786,0.14484956480021932,0.2013741347405935
EOS-3-21589,Fc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,RUSQTIGMQQGLTD-UHFFFAOYSA-N,3,1,0.442,54,873,448.849,3.452,5,0.389,0.65,1.0,0.7313583715989308,0.6990096634911932,0.4984579535329998,0.592120142553629,0.6302365327941882
EOS-3-21591,Cn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccccc3)n12,PANVDJCCFBUHJQ-UHFFFAOYSA-N,3,1,0.297,39,854,437.492,3.772,6,0.414,0.67,0.999,0.07094270440682612,0.03737749297512165,0.04278322253443904,0.09808272222602975,0.062296535535604144
EOS-3-21592,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cc(F)c(Cl)nn3)n12,HKNPWURZJHOSFD-UHFFFAOYSA-N,3,1,0.494,37,132,465.851,4.196,5,0.371,0.76,1.0,0.8732180796381331,0.926966965937907,0.7499057638270167,0.8120759372215749,0.8405416866561579
EOS-3-21593,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)ccn1,FAWJVPYGNJFNQO-UHFFFAOYSA-N,3,1,0.302,94,170,447.437,3.906,6,0.375,0.71,1.0,0.26357857583441846,0.357823315742581,0.6523970255637036,0.642562195874169,0.479090278253718
EOS-3-21594,Fc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)ncn2)ccn1,IWHAYNMZHUWHOD-UHFFFAOYSA-N,3,1,0.304,32,687,447.437,3.906,6,0.375,0.71,0.999,0.217557055719279,0.28861969707353846,0.5329997943938044,0.5408556644506888,0.39500805290932767
EOS-3-21595,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)[nH]n2)n1C,GROLOUJCYOYTOK-UHFFFAOYSA-N,3,1,0.272,86,812,436.443,2.137,6,0.44,0.61,0.66,0.07895277911041053,0.07093413748200945,0.03440477006373792,0.03435336851483791,0.05466126379274896
EOS-3-21596,Cc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCc3ccc(F)cc3F)n12,LHTLELRPGNVRQW-UHFFFAOYSA-N,3,1,0.489,73,665,449.396,3.948,5,0.401,0.7,0.992,0.8687033102597491,0.8581231581111645,0.7374323212939483,0.7326605441710644,0.7992298334589816
EOS-3-21597,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cn2)cn1,SIVCHIDMKFRYTD-UHFFFAOYSA-N,3,1,0.313,94,165,448.425,3.301,6,0.374,0.66,1.0,0.24480844356109932,0.37679905421150023,0.49163011445411553,0.48814337605373176,0.4003452470701117
EOS-3-21598,c1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)cc1,VFJLVECWYRJROL-UHFFFAOYSA-N,3,1,0.293,39,527,420.4,1.681,6,0.414,0.68,0.995,0.009963333561784662,0.009372215749434584,0.012893221849085052,0.02373038174216983,0.013989788225618534
EOS-3-21599,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)n1,FVZWXLKXJHMOOZ-UHFFFAOYSA-N,3,1,0.31,8,973,442.834,2.267,6,0.407,0.65,1.0,0.08315057227057775,0.1760931396066068,0.06471455006510862,0.1333613186210678,0.11432989514084024
EOS-3-21600,N#Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nc1,CTEKUCLQZFFRPR-UHFFFAOYSA-N,3,1,0.649,1,709,438.878,4.957,5,0.385,0.81,1.0,0.9589130285792612,0.9715663765334795,0.9187941196628059,0.92451682544034,0.9434475875539716
EOS-3-21601,Cn1cncc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)n1,KXIRXECZMJDHME-UHFFFAOYSA-N,3,1,0.303,50,765,441.434,2.312,6,0.413,0.6,1.0,0.014555205263518608,0.14430984853676923,0.15586663011445412,0.16839147419642245,0.12078078952779109
EOS-3-21602,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ncn2)cn1,HKUGKDNHUVHDHO-UHFFFAOYSA-N,3,1,0.418,44,488,451.824,4.154,5,0.371,0.75,0.981,0.7923120416695223,0.7841820300185045,0.864865327941882,0.885288876704818,0.8316620690836818
EOS-3-21603,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)nn2)c1C,WRZNYWMIAWRMBX-UHFFFAOYSA-N,3,1,0.443,89,205,453.466,2.333,5,0.409,0.63,1.0,0.38952093756425193,0.16743197861695566,0.0844698786923446,0.046364197107806183,0.17194674799533957
EOS-3-21604,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nc1,KNQVABDSFHVWIK-UHFFFAOYSA-N,3,1,0.295,98,356,451.429,2.64,6,0.398,0.62,0.998,0.06676204509629223,0.1843516551298746,0.2016996778836269,0.2900075388938387,0.1857052292509081
EOS-3-21605,Cn1nncc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nn4)n23)cnn1,SRTGIEZIUVPRBI-UHFFFAOYSA-N,3,1,0.31,98,63,451.429,2.64,6,0.398,0.62,0.763,0.08315913919539442,0.16744054554177232,0.23374854362278116,0.32080563360975944,0.20128846549242685
EOS-3-21606,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(F)ccc6F)nn5)n34)cn2)nc1,JRCGRBHCDCOUJK-UHFFFAOYSA-N,3,1,0.281,10,872,472.394,3.308,6,0.384,0.71,0.963,0.061510520183674866,0.25748749228976764,0.5630697005003084,0.6425707627989857,0.3811596189431842
EOS-3-21607,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(Cc5ccccc5F)n4)n23)cc1,IQUJWBDUNDCURZ-UHFFFAOYSA-N,3,1,0.297,39,144,468.431,3.228,6,0.379,0.7,0.917,0.19271297375094237,0.24267527928174903,0.22274004523336302,0.4100387225001713,0.26704175519155643
EOS-3-21608,c1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)cnn5)n34)cc2)nc1,DQBOIIUWYCAEKK-UHFFFAOYSA-N,3,1,0.291,38,170,429.447,3.767,6,0.417,0.67,1.0,0.09991604413679665,0.11020492084161469,0.5020046604071002,0.5208176273045028,0.3082358131725036
EOS-3-21609,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)n1,HHEOYDQUIQSJDE-UHFFFAOYSA-N,3,1,0.523,44,570,448.408,4.553,5,0.393,0.74,1.0,0.8532571448152971,0.8244123089575766,0.8903005277225687,0.8920053457610856,0.864993831814132
EOS-3-21610,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)nc1,ODTVORSVCLDVBX-UHFFFAOYSA-N,3,1,0.274,70,652,435.455,2.444,6,0.414,0.61,0.984,0.05793811253512439,0.0215029812898362,0.1259080940305668,0.11094167637584812,0.07907271605784388
EOS-3-21611,Fc1ncccc1-c1cc(Cc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)ccn1,SWEBGVBRXSMQDU-UHFFFAOYSA-N,3,1,0.343,85,81,433.397,4.311,5,0.384,0.73,0.866,0.35259749160441367,0.45016619834144334,0.8916541018436023,0.8711106161332328,0.641382101980673
EOS-3-21612,Cc1ncc(-c2nnc3cncc(-c4nccnc4-c4cccc(F)c4)n23)c(-c2nnnn2C)n1,QBYYYINEOFUIHT-UHFFFAOYSA-N,3,1,0.333,39,972,466.444,2.343,6,0.38,0.67,1.0,0.15118908916455348,0.25749605921458435,0.033119731341237746,0.07196216846000959,0.1284417620450963
EOS-3-21613,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)nc2)nn1,OFQIPKJXLBHVPV-UHFFFAOYSA-N,3,1,0.276,98,813,440.402,2.838,6,0.407,0.61,0.999,0.11268076211363169,0.15596086628743747,0.32819888972654376,0.33680008224247826,0.23341015009252278
EOS-3-21614,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(CF)c5)cn4)n23)cc1,GSGFVGDZKGUFKS-UHFFFAOYSA-N,3,1,0.284,25,213,464.468,3.575,6,0.381,0.71,1.0,0.12926632855870057,0.13319854704955109,0.31350661366595844,0.34305393735864576,0.22975635665821395
EOS-3-21615,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cc4)n23)nc1,UICUREFNGXWVTE-UHFFFAOYSA-N,3,1,0.432,80,8,451.45,3.216,6,0.376,0.72,1.0,0.4792337742443972,0.2222431635939963,0.2621650332396683,0.2012713316427935,0.2912283256802138
EOS-3-21616,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,KXRCHDLNVYNKAT-UHFFFAOYSA-N,3,1,0.451,55,804,448.874,3.223,5,0.39,0.7,0.984,0.591965937906929,0.44125659653210886,0.2585155232677678,0.2134363648824618,0.37629360564731684
EOS-3-21617,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)c2)nn1,GEJOXWFTHSARKN-UHFFFAOYSA-N,3,1,0.279,98,63,433.439,2.501,6,0.412,0.64,1.0,0.027551230210403673,0.023824617915153178,0.20170824480844357,0.22187478582687958,0.11873971969022
EOS-3-21618,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccn4)n23)nn1,YESXMOCWXPXJJP-UHFFFAOYSA-N,3,1,0.269,76,935,433.439,2.501,6,0.412,0.62,0.816,0.0789613460352272,0.034533273935987936,0.05314063463779042,0.07592865465012678,0.06064097731478309
EOS-3-21619,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1,HWYKEUALHBMPDA-UHFFFAOYSA-N,3,1,0.289,10,748,454.404,3.169,6,0.399,0.62,0.999,0.009312247275717908,0.12981461174696732,0.3881502295935851,0.5637721883352752,0.2727623192378864
EOS-3-21620,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4cnc(-c5cncnc5)nc4)n23)nn1,LMJRGBNTMAYCDM-UHFFFAOYSA-N,3,1,0.312,80,874,450.426,2.021,6,0.38,0.65,0.999,0.3190408470975259,0.18436022205469124,0.053149201562607086,0.03876533479542184,0.14882890137756152
EOS-3-21621,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)nn2)c1,NMJLNFQQEZPYCY-UHFFFAOYSA-N,3,1,0.327,10,705,440.467,4.302,6,0.406,0.7,0.999,0.017185251182235625,0.15204578164622026,0.5263261599616201,0.6102049208416147,0.3264405284079227
EOS-3-21622,COc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)nn1,AIWCPTQOWMYVFB-UHFFFAOYSA-N,3,1,0.339,30,298,464.464,4.249,6,0.376,0.78,1.0,0.10516756904941402,0.2732249331779864,0.5858577205126447,0.5888818449729285,0.3882830169282434
EOS-3-21623,Fc1ccc(-c2c[nH]c(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,NBSYXZCUSVMNBB-UHFFFAOYSA-N,3,1,0.39,37,132,436.838,3.385,5,0.406,0.68,1.0,0.47432492632444656,0.45017476526626005,0.529787197587554,0.5888904118977452,0.5107943252690015
EOS-3-21624,Fc1cnnc(CCOc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)c1,PWXGXIXNBXEXRT-UHFFFAOYSA-N,3,1,0.444,87,307,432.394,2.938,5,0.403,0.64,1.0,0.6734202590638064,0.6596960455075046,0.46056644506887806,0.504232060859434,0.5744787026249057
EOS-3-21625,Fc1ccncc1CCOc1cncc2nnc(-c3cnnc(-c4ncccc4F)c3)n12,OYTWPFQNXHSPJZ-UHFFFAOYSA-N,3,1,0.489,65,778,432.394,2.938,5,0.403,0.64,0.979,0.7070368720444109,0.6597046124323213,0.5230107600575697,0.5604396545815914,0.6125479747789734
EOS-3-21626,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,GTFHBKINVXDYCS-UHFFFAOYSA-N,3,1,0.512,13,252,422.811,3.567,5,0.437,0.69,1.0,0.6285552737989172,0.8420516071550956,0.5297957645123706,0.6071636625316976,0.6518915769995204
EOS-3-21627,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cc1,OOZGHLRDJGTWJL-UHFFFAOYSA-N,3,1,0.321,38,818,448.465,4.455,6,0.37,0.77,1.0,0.28492735247755463,0.30888047426495785,0.6907939825920087,0.6653673497361388,0.48749228976766495
EOS-3-21628,COc1ncc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4C)n23)c(-c2ncc(F)c(C)n2)n1,BAMIDRQTPNUSTJ-UHFFFAOYSA-N,3,1,0.33,82,155,471.456,2.569,5,0.408,0.66,0.985,0.39816496470426976,0.2940939620313892,0.11157562881228154,0.05429716948804057,0.21453293125899525
EOS-3-21629,Cc1ncccc1-c1nnc2cncc(OCc3ccc(F)c(-c4cnc(Cl)nn4)n3)n12,PVWXTMAMJCQCIU-UHFFFAOYSA-N,3,1,0.534,4,390,449.837,3.113,5,0.398,0.66,0.998,0.597637242135563,0.6354259475018847,0.24429442807209925,0.2781080803234871,0.4388664245082585
EOS-3-21630,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)nn1,GJFKUJOMSRLJAG-UHFFFAOYSA-N,3,1,0.413,53,411,431.847,2.974,5,0.413,0.64,0.912,0.4792423411692139,0.4852049208416147,0.14995545199095334,0.17377150298128985,0.32204355424576797
EOS-3-21631,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)nn2)n1,RBTCFJMVDXBYJN-UHFFFAOYSA-N,3,1,0.274,99,813,434.427,1.896,6,0.404,0.64,0.833,0.03628949352340484,0.016165787129052155,0.041343979165238846,0.06019978068672469,0.038499760126105134
EOS-3-21632,Clc1cnc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cccnn5)cn4)n23)nc1,GJFMBQMXBYJLRF-UHFFFAOYSA-N,3,1,0.264,86,902,465.868,3.211,6,0.382,0.66,0.999,0.22870262490576382,0.2886282639983552,0.18151600301555754,0.2691385100404359,0.24199635049002813
EOS-3-21633,Cc1nnc(-c2cncc(-c3nnc4cncc(Cc5ccc(Cl)nc5)n34)c2)s1,UXVMDWMJTUVUKQ-UHFFFAOYSA-N,3,1,0.316,85,142,420.889,3.652,5,0.409,0.77,1.0,0.13459495579466796,0.22225173051881297,0.2227486121581797,0.2928688917826057,0.21811604756356656
EOS-3-21634,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c1,JAWYYXBCIUEBNG-UHFFFAOYSA-N,3,1,0.483,92,728,429.404,0.45,5,0.4,0.65,1.0,0.3291926530052772,0.12982317867178397,0.023182098553903092,0.011659584675484887,0.12346437872661228
EOS-3-21635,Cn1ccc(-c2cccc(-c3cncc4nnc(-c5cc(-c6cnccn6)ccc5F)n34)n2)n1,PTOHFACBLHEOHZ-UHFFFAOYSA-N,3,1,0.338,76,368,449.453,3.85,6,0.403,0.67,1.0,0.12068226989239943,0.257504626139401,0.4984665204578165,0.4942173257487492,0.34271768555959153
EOS-3-21636,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)cc2F)n1,IEXPWNLQUQFUIX-UHFFFAOYSA-N,3,1,0.512,73,980,450.384,3.343,5,0.402,0.64,1.0,0.8920053457610856,0.8244208758823932,0.7115602083476116,0.697236310054143,0.7813056850113084
EOS-3-21637,c1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)nc1,YMNGATCIKSVVJM-UHFFFAOYSA-N,3,1,0.505,81,609,459.473,3.679,6,0.368,0.7,1.0,0.47158351038311286,0.39544068261256937,0.30971146597217464,0.2749468850661367,0.3629206360084984
EOS-3-21638,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cccnn6)ncn5)n34)cc2)nc1,GWOXXHWELKOXQY-UHFFFAOYSA-N,3,1,0.495,81,120,459.473,3.679,6,0.368,0.7,1.0,0.4362877801384415,0.4006065382770201,0.3693115619217326,0.3430625042834624,0.3873170961551642
EOS-3-21639,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncs5)s4)n23)cc1,LZXMHVWWEDZKAC-UHFFFAOYSA-N,3,1,0.506,89,656,475.559,3.843,6,0.381,0.8,1.0,0.34828832842162977,0.14808786238091975,0.05870913576862449,0.06995750805290933,0.15626070865602085
EOS-3-21640,Cc1cccnc1CCOc1cncc2nnc(-c3ccc(F)c(-c4ccccn4)c3)n12,LKJOSXUFUIKUBJ-UHFFFAOYSA-N,3,1,0.54,11,275,426.455,4.317,5,0.402,0.75,1.0,0.9115293674182715,0.8862055376602015,0.5858662874374615,0.5702830511959427,0.7384710609279692
EOS-3-21641,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ncn2)n1,USPBZQNVORMCON-UHFFFAOYSA-N,3,1,0.517,36,391,438.814,2.143,5,0.406,0.62,1.0,0.5424919470906723,0.7411075320402988,0.21568946610924541,0.2989942430265232,0.4495707970666849
EOS-3-21642,Cn1nc(-c2ccc(F)nn2)nc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,RPSRNGXXDYKXLS-UHFFFAOYSA-N,3,1,0.383,53,915,438.814,2.143,5,0.406,0.62,0.753,0.43864368446302515,0.5265574669316702,0.04942258926735659,0.1085772051264478,0.28080023644712493
EOS-3-21643,Cc1ncc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(C)(C)C)nn5)n34)cn2)nn1,ZNJYSJCLPPONDW-UHFFFAOYSA-N,3,1,0.323,85,60,439.487,2.42,5,0.411,0.64,1.0,0.11554211500239873,0.0972174628195463,0.011368309231718183,0.002381605099033651,0.05662737303817422
EOS-3-21644,Cc1nnc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)s1,YFCMCCZOZVBEKY-UHFFFAOYSA-N,3,1,0.429,46,692,437.435,3.87,5,0.412,0.68,1.0,0.5218799259817696,0.4767150983482969,0.5263347268864369,0.5443766705503392,0.5173266054417107
EOS-3-21645,Cc1ccc(Cl)cc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cn4)n23)nn1,IJXAWCLRCXVBGK-UHFFFAOYSA-N,3,1,0.27,99,37,469.9,3.191,6,0.386,0.7,1.0,0.013107394969501748,0.11948290041806593,0.18484853676924132,0.257221917620451,0.143665187444315
EOS-3-21646,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cncc(C#N)n5)n4)n23)cn1,REDNOAGDTNRDRV-UHFFFAOYSA-N,3,1,0.5,7,205,439.414,2.937,5,0.406,0.64,1.0,0.6342351449523679,0.7411160989651154,0.47095812487149613,0.41328558700568846,0.564898738948667
EOS-3-21647,CCc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5F)n34)nc2)cn1,MGRUZGJFWUGGRU-UHFFFAOYSA-N,3,1,0.356,52,582,480.507,3.904,6,0.392,0.86,1.0,0.1397436776094853,0.2426838462065657,0.21245116852854498,0.24822664656294977,0.21077633472688645
EOS-3-21648,Cc1cnc(-c2cc(-c3nnc4cncc(Cc5cnc(Cl)c(F)c5)n34)ccn2)cn1,JXNISLHDYODYNM-UHFFFAOYSA-N,3,1,0.34,85,674,432.85,3.73,5,0.399,0.69,1.0,0.34123774929751216,0.3621667466246316,0.5858748543622782,0.595109999314646,0.471097337399767
EOS-3-21649,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)cc1F,YWHOWJPOQIYIGE-UHFFFAOYSA-N,3,1,0.43,46,242,425.387,2.628,5,0.417,0.66,1.0,0.8510640120622301,0.7317524501404976,0.4677026934411624,0.4066976218216709,0.6143041943663903
EOS-3-21650,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cn5)n4)n23)cn1,QJGRSKCDYBQPPK-UHFFFAOYSA-N,3,1,0.423,7,535,474.872,2.025,5,0.387,0.69,1.0,0.5605595915290248,0.49463710506476594,0.06881810705229251,0.05164998971969022,0.29391619834144334
EOS-3-21651,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)[nH]n2)nc1,WMOFTIPDBQFOMX-UHFFFAOYSA-N,3,1,0.427,55,963,423.799,2.738,5,0.428,0.67,1.0,0.6063412377492975,0.4051641422794874,0.38079124117606744,0.42911726406689055,0.45535347131793574
EOS-3-21652,CCOC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)c(F)c1,DWPYVZTZHRDLKS-UHFFFAOYSA-N,3,1,0.367,66,542,432.337,3.583,4,0.359,0.74,1.0,0.4045130559934206,0.5356983757110547,0.9065177164005209,0.7759149475704201,0.6556610239188541
EOS-3-21653,Cn1cc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)nn1,NKOUMMIEORJBKK-UHFFFAOYSA-N,3,1,0.517,34,146,453.84,4.097,5,0.398,0.72,1.0,0.637250702487835,0.8420601740799123,0.8783239668288672,0.894755328627236,0.8130975430059626
EOS-3-21655,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5ccnc(F)c5)o4)n23)cc1,BPBIOYOYLGEQNP-UHFFFAOYSA-N,3,1,0.333,3,572,455.388,3.639,6,0.367,0.72,0.818,0.28493591940237134,0.38151086286066754,0.4709666917963128,0.5573898293468577,0.42370082585155233
EOS-3-21656,Fc1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cn1,CBYVLHMNTJDUSP-UHFFFAOYSA-N,3,1,0.31,70,687,448.425,3.301,6,0.374,0.65,0.987,0.25813857857583444,0.26286752107463507,0.3210540744294428,0.3915170310465355,0.30839430128161194
EOS-3-21657,Cc1cnc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnc5Cl)n4)n23)cn1,GLVOSWFVJMLNEL-UHFFFAOYSA-N,3,1,0.467,46,128,448.849,3.718,5,0.375,0.73,0.918,0.5664022342539922,0.6168271537248989,0.4463282160235762,0.46701733945582896,0.5241437358645741
EOS-3-21658,Cc1ccc(-c2nnc3cncc(OCc4cncnc4-c4cnc(Cl)c(F)c4)n23)cn1,BKRCGESJDMGNEJ-UHFFFAOYSA-N,3,1,0.467,55,879,448.849,3.718,5,0.375,0.73,1.0,0.8751028030978,0.8489394147076965,0.619996915907066,0.5978771160304297,0.735479062435748
EOS-3-21659,COCCC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1,YOVLAQCOFWYWGI-UHFFFAOYSA-N,3,1,0.341,78,169,463.929,3.543,5,0.403,0.68,1.0,0.0667706120211089,0.11320334452744843,0.013424371187718456,0.09400486601329587,0.07185079843739292
EOS-3-21660,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4ncc(Cl)cn4)c3)n12,CNRHEYNIXDLQLJ-UHFFFAOYSA-N,3,1,0.578,75,263,448.849,3.452,5,0.389,0.64,1.0,0.8751113700226166,0.8489479816325132,0.49486841203481596,0.5310037009115208,0.6874828661503667
EOS-3-21661,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5C)n34)cn2)cn1,RQJTWZMFTJZJBU-UHFFFAOYSA-N,3,1,0.5,65,282,424.468,3.277,5,0.409,0.71,1.0,0.5476492358303063,0.48521348776643136,0.29525906380645606,0.19309848536769242,0.3803050681927216
EOS-3-21662,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,ADZKBELHQLMBEW-UHFFFAOYSA-N,3,1,0.321,30,220,446.449,4.511,6,0.393,0.72,1.0,0.3087948050167912,0.3815194297854842,0.7324806387499143,0.7688558015214858,0.5479126687684189
EOS-3-21663,Cc1nnc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cncnc1,KJBDOBLJLRTCME-UHFFFAOYSA-N,3,1,0.4,31,954,445.874,3.017,5,0.363,0.69,0.544,0.5165855664450689,0.5832962099924611,0.19832430950585977,0.23659276266191487,0.3836997121513262
EOS-3-21664,CCc1cc(-c2ccnc(-c3nnc4cncc(OCc5ncccc5F)n34)c2)ccn1,VQVMEJKBICZMTN-UHFFFAOYSA-N,3,1,0.444,18,160,427.443,3.924,5,0.406,0.71,1.0,0.5091751764786512,0.49464567198958265,0.4948769789596327,0.44170207662257555,0.48509997601261057
EOS-3-21665,N#Cc1cc(-c2ccnc(C#N)c2)cc(-c2nnc3cncc(OCc4cnccc4F)n23)c1,CSEBCZJOVIRLQU-UHFFFAOYSA-N,3,1,0.457,97,214,448.421,3.71,5,0.398,0.67,1.0,0.8246436159276266,0.7714944143650195,0.9207645123706394,0.8963059420190529,0.8533021211705846
EOS-3-21666,Cn1c(-c2ccc(Cl)nn2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,ZDRGDDAWGIEWCD-UHFFFAOYSA-N,3,1,0.321,8,342,467.884,3.154,6,0.384,0.68,0.325,0.17842334315674047,0.2628760879994517,0.05682441230895758,0.14976697964498664,0.1619727057775341
EOS-3-21667,Cc1cccnc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,JJUKMNKZYJHHLN-UHFFFAOYSA-N,3,1,0.566,4,534,429.871,4.184,5,0.413,0.71,1.0,0.7283171132890138,0.9033051195942704,0.54995373860599,0.5858405866630114,0.6918541395380715
EOS-3-21668,Fc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccon4)cc3)n12,UPPZVGZBHQEFDU-UHFFFAOYSA-N,3,1,0.333,69,696,435.422,4.709,6,0.396,0.78,1.0,0.31412343225275857,0.36712699609348226,0.8335189500376945,0.8322767459392776,0.5867615310808032
EOS-3-21669,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)cc2)nc1,PUGWITULXQIRNC-UHFFFAOYSA-N,3,1,0.305,32,57,435.422,4.709,6,0.396,0.76,1.0,0.3010246042080735,0.2886368309231718,0.6438129668974025,0.6539133712562538,0.47184694332122545
EOS-3-21670,Cc1nn(C)cc1-c1ccnc(COc2cncc3nnc(-c4ccc(CO)cn4)n23)c1,QMWDYWVEHMGAFX-UHFFFAOYSA-N,3,1,0.451,92,544,428.456,2.362,5,0.438,0.69,0.843,0.19272154067575903,0.1132119114522651,0.2917551915564389,0.1737800699061065,0.1928671783976424
EOS-3-21671,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5nncnc5-c5cccc(Cl)c5)n34)n2)cc1,MOGGDWDDOUSDBY-UHFFFAOYSA-N,3,1,0.303,10,748,470.859,3.684,6,0.383,0.71,0.79,0.017193818107052294,0.1715955040778562,0.34283976423822904,0.5573983962716743,0.27225687067370297
EOS-3-21672,OCc1cccc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)cn2)c1,OZWGXYJERAFXBQ-UHFFFAOYSA-N,3,1,0.44,57,480,429.867,4.791,5,0.432,0.8,1.0,0.7868377767116715,0.8008446987869234,0.8783325337536838,0.8809711465972174,0.836746538962374
EOS-3-21673,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnn(C(F)F)c5)n4)n23)cn1,ZFASNGHYYOXCFX-UHFFFAOYSA-N,3,1,0.29,99,286,461.4,1.821,6,0.377,0.66,0.482,0.018033376739085737,0.09421047220889589,0.08931019121376191,0.09013261599616201,0.07292166403947639
EOS-3-21674,Clc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)nn1,NOHBJZSNUFEJJA-UHFFFAOYSA-N,3,1,0.351,38,126,463.892,4.421,6,0.378,0.74,1.0,0.23685833733123157,0.33304776917277773,0.42790932766774037,0.48518778699198134,0.37075080529093274
EOS-3-21675,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnco5)no4)n23)c(Cl)c1,AYRXIHOWEIUOAH-UHFFFAOYSA-N,3,1,0.31,98,765,446.818,2.945,6,0.397,0.67,1.0,0.19273010760057568,0.3039373586457405,0.15293674182715372,0.22782023164964704,0.21935610993077923
EOS-3-21676,Fc1ccc(-c2ncnnc2-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,XMDVOOYPUJPOBF-UHFFFAOYSA-N,3,1,0.522,19,626,448.849,3.452,5,0.364,0.73,1.0,0.8010074703584401,0.7756750736755534,0.4777516962511137,0.5978856829552464,0.6630799808100883
EOS-3-21677,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)nn5)n4)n23)nc1,KTVLUMSHKZZKMU-UHFFFAOYSA-N,3,1,0.287,76,652,451.429,2.64,6,0.398,0.59,0.654,0.14524364334178602,0.20711397436776094,0.11465115482146529,0.13127955589061752,0.14957208210540746
EOS-3-21678,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)c1F,BRLGLIMTTGNGHF-UHFFFAOYSA-N,3,1,0.484,75,324,432.394,2.938,5,0.403,0.63,1.0,0.7037386059899938,0.6891919676512919,0.5020132273319169,0.49422589267356587,0.5972924234116921
EOS-3-21679,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nc(C)nn5C)cc(F)c4F)n23)cc1F,QQERENFRMKYGCJ-UHFFFAOYSA-N,3,1,0.341,61,648,478.438,3.339,5,0.425,0.69,1.0,0.30880337194160784,0.24777259954766637,0.5858834212870948,0.5273798917140703,0.4174598211226098
EOS-3-21680,Clc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)ccn1,CTHGXQKASCREIO-UHFFFAOYSA-N,3,1,0.309,38,154,452.869,3.749,6,0.401,0.69,1.0,0.1728462751010897,0.27816804879720375,0.4536700705914605,0.5143752998423686,0.35476492358303063
EOS-3-21681,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nncs5)cc(F)c4F)n23)s1,DXTVDBAXIDHYBY-UHFFFAOYSA-N,3,1,0.297,22,844,441.448,3.415,5,0.457,0.58,0.135,0.1452522102666027,0.1716040710026729,0.37328661503666644,0.410047289424988,0.2750475464327325
EOS-3-21682,Cc1cnc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnc(C)o5)c4)n23)cn1,ZPSWUMLXRAVZEV-UHFFFAOYSA-N,3,1,0.471,53,587,418.392,2.966,5,0.424,0.74,1.0,0.6088427797957645,0.485222054691248,0.25155918031663355,0.2072339113151943,0.38821448152971005
EOS-3-21683,Cc1cc(-c2nnc3cncc(OCc4nc(-c5cnccn5)ncc4F)n23)ccc1Cl,JBHCUDVGOCOWEU-UHFFFAOYSA-N,3,1,0.489,73,540,448.849,3.718,5,0.4,0.68,1.0,0.7840106915221712,0.8941042423411693,0.47776026317593034,0.517536495099719,0.6683529230347474
EOS-3-21684,Fc1cc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cnc1-c1ccncc1,ZJWSCTSCZDYWDU-UHFFFAOYSA-N,3,1,0.369,85,81,433.397,4.311,5,0.411,0.69,0.998,0.3939757384689192,0.5497566993352067,0.8846206565691179,0.8545935850866972,0.6707366698649853
EOS-3-21685,COc1cccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)n1,HZXHJKJKGQXYOS-UHFFFAOYSA-N,3,1,0.33,10,37,448.45,2.9,6,0.392,0.66,0.135,0.05794667945994106,0.03135494482900418,0.14082311013638543,0.13545164827633474,0.09139409567541634
EOS-3-21686,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cnn2)n(C)n1,YCYZJZAKTSWTNY-UHFFFAOYSA-N,3,1,0.392,33,760,443.431,0.758,5,0.396,0.63,0.614,0.23686690425604826,0.06719039133712562,0.01239634020971832,0.004052155438283874,0.080126447810294
EOS-3-21687,OCc1cc(-c2nnc3cncc(OCCc4cc(Cl)ncc4Cl)n23)ccc1Cl,COFZSHVLVXLIIT-UHFFFAOYSA-N,3,1,0.593,90,281,450.713,4.26,4,0.442,0.7,1.0,0.8622267150983483,0.9232831882667397,0.9288516893975739,0.9521280241244603,0.9166224042217805
EOS-3-21688,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cncc(-c5nnon5)c4)n23)cc1,TVDHGAOABHMKFV-UHFFFAOYSA-N,3,1,0.333,39,972,438.386,2.894,6,0.404,0.65,1.0,0.25530292646151737,0.23724384894798164,0.2549859502433007,0.36267219518881505,0.2775512302104037
EOS-3-21689,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccnc(C(F)F)n3)n12,GWKKDQDVUPKZBS-UHFFFAOYSA-N,3,1,0.511,27,666,449.396,4.299,5,0.382,0.77,1.0,0.792320608594339,0.8581317250359811,0.7684188883558358,0.7083647453909945,0.7818089918442876
EOS-3-21690,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)cnn4)n23)cn1,JTLGQXYMRRCHAE-UHFFFAOYSA-N,3,1,0.438,4,534,443.402,1.855,5,0.388,0.64,1.0,0.457345281337811,0.3239325611678432,0.2585240901925845,0.20724247824001096,0.31176110273456237
EOS-3-21691,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)nc1,WEWKHPDBDYJBGW-UHFFFAOYSA-N,3,1,0.247,99,312,440.406,1.764,6,0.376,0.62,1.0,0.0031183606332670826,0.11021348776643136,0.11465972174628196,0.14485813172503598,0.0932124254677541
EOS-3-21692,COc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,LBFCBUFRJNHDQJ-UHFFFAOYSA-N,3,1,0.5,13,145,448.845,4.842,5,0.38,0.78,1.0,0.8063103968199575,0.8050681927215406,0.8399441436501953,0.8075269001439244,0.8147124083339045
EOS-3-21693,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)c(F)c4)n23)nc1,YIDZANYRSTXNCO-UHFFFAOYSA-N,3,1,0.32,50,523,413.376,1.943,5,0.472,0.72,0.999,0.20373003906517717,0.13320711397436777,0.35062709889658006,0.34307107120827907,0.257658830786101
EOS-3-21694,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC(C)C)c(F)c5)n34)on2)no1,KVEZTBGTRLLEAU-UHFFFAOYSA-N,3,1,0.49,89,788,478.444,2.994,5,0.37,0.82,1.0,0.5218884929065862,0.3954492495373861,0.14662291823726956,0.06643650195325886,0.2825992906586252
EOS-3-21695,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2Cl)n(C)n1,YLHDJRLRAVGODT-UHFFFAOYSA-N,3,1,0.518,16,256,438.904,3.584,5,0.413,0.66,1.0,0.4643958604619286,0.5265660338564869,0.15918203001850456,0.1902542663285587,0.3350995476663697
EOS-3-21696,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5nnco5)ccc4F)n23)c(F)c1,YRBBFKBRRLOMEP-UHFFFAOYSA-N,3,1,0.529,34,146,424.342,3.838,5,0.423,0.71,1.0,0.9020115139469536,0.8964944143650195,0.9103556987183881,0.9060122678363375,0.9037184737166747
EOS-3-21697,CCn1ccc(Cc2cncc3nnc(-c4cc(F)cc(-c5nc(C)c(C)n5C)c4)n23)n1,MMRBOSKAFFDAKT-UHFFFAOYSA-N,3,1,0.317,85,784,430.491,3.755,5,0.424,0.7,1.0,0.15119765608937016,0.20246213419231032,0.1287780138441505,0.10633267082448085,0.14719261873757797
EOS-3-21698,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cnoc5)cn4)n23)cc1,KEBHYIQNRSULJD-UHFFFAOYSA-N,3,1,0.351,32,515,436.41,4.104,6,0.406,0.71,0.998,0.3239496950174765,0.36217531354944826,0.6255654170379,0.6682715372489891,0.49499049071345347
EOS-3-21699,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(Cl)cc6)nn5)n34)cn2)n1,VPVJNMNHJSRJIK-UHFFFAOYSA-N,3,1,0.33,10,37,456.857,3.446,6,0.392,0.72,1.0,0.08123158111164416,0.19320128846549242,0.18804399972585842,0.27495545199095334,0.1843580803234871
EOS-3-21700,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5ccc(C(F)F)nn5)ncn4)n23)cn1,YSSKUHBDRPLGGA-UHFFFAOYSA-N,3,1,0.38,7,828,448.397,2.653,5,0.382,0.65,0.999,0.4939603180042492,0.4146134603522719,0.3097200328969913,0.22463333561784662,0.3607317867178398
EOS-3-21701,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cncc(Cl)n6)n5)n34)cn2)cc1,MXENSKBGDQKVHB-UHFFFAOYSA-N,3,1,0.349,10,952,471.847,3.078,6,0.381,0.72,0.999,0.021014666575286136,0.2322236310054143,0.20536632170516073,0.38187067370296757,0.21011882324720718
EOS-3-21702,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)nc(C)n4)n23)n(C)n1,VXGFKFKVYGKBAO-UHFFFAOYSA-N,3,1,0.368,31,662,431.435,2.712,5,0.418,0.67,1.0,0.357463504900281,0.2781766157220204,0.12328661503666644,0.09209444177917894,0.21275529435953672
EOS-3-21703,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)c(F)c1,SLQRFVSDWPEZSB-UHFFFAOYSA-N,3,1,0.3,64,449,454.4,4.244,6,0.389,0.7,0.995,0.3459923925707628,0.3861113014872182,0.569966074977726,0.630748406551984,0.4832045438969228
EOS-3-21704,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ncon5)c4)n23)c1F,RMBIZHJZXCWYSI-UHFFFAOYSA-N,3,1,0.641,91,742,420.379,3.741,5,0.413,0.78,1.0,0.7578130354328011,0.6256682201357001,0.7707062572818861,0.7534353368514838,0.7269057124254678
EOS-3-21705,Cn1cnc(-c2cnccn2)c1-c1cncc2nnc(-c3ccc(-c4cncnc4)cn3)n12,VMUBHXQNNQJGSC-UHFFFAOYSA-N,3,1,0.248,86,165,433.439,2.501,6,0.412,0.65,0.74,0.05969433212254129,0.041001302172572134,0.13465492426838463,0.152439860187787,0.09694760468782126
EOS-3-21706,Cn1ncnc1-c1cccc(-c2cncc3nnc(-c4cncc(-c5cccnn5)n4)n23)c1,AXCCDALSBHAANV-UHFFFAOYSA-N,3,1,0.275,98,887,433.439,2.501,6,0.412,0.61,1.0,0.025109656637653348,0.008746830237817834,0.1062898362003975,0.13128812281543417,0.06785861147282571
EOS-3-21707,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)ncn1,UKYHWZVHQPPKSE-UHFFFAOYSA-N,3,1,0.5,56,19,416.832,3.271,5,0.402,0.76,1.0,0.6489531217874032,0.7317610170653143,0.49847508738263313,0.4972585840586663,0.5941119525735042
EOS-3-21708,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)n5)n34)cn2)cn1,PSSXHSWPFYBZNL-UHFFFAOYSA-N,3,1,0.306,76,653,437.398,3.499,6,0.381,0.66,0.976,0.2764974984579535,0.3479627852785964,0.39555205263518606,0.4132941539305051,0.35832662257556025
EOS-3-21709,NC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,CYSYFDRNYWFXLA-UHFFFAOYSA-N,3,1,0.353,82,514,412.388,2.548,5,0.45,0.78,1.0,0.18699883489822494,0.15205434857103695,0.39917586183263654,0.3689860187786992,0.27680376602014944
EOS-3-21710,CCn1cc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,LWBWXWZHSBEWAG-UHFFFAOYSA-N,3,1,0.385,53,182,434.851,2.487,5,0.396,0.64,1.0,0.2093670755945446,0.24269241313138235,0.12042526214789939,0.13129668974025083,0.1759453601535193
EOS-3-21711,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,GCVMTMGCHKLEKJ-UHFFFAOYSA-N,3,1,0.5,65,905,432.875,3.257,5,0.406,0.66,1.0,0.6118754711808649,0.5539544924953739,0.47776883010074706,0.47598690973888014,0.5298964258789665
EOS-3-21712,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cnn1,PMYAHHKOKGAWTF-UHFFFAOYSA-N,3,1,0.631,84,73,432.875,3.257,5,0.406,0.66,0.999,0.5139983551504352,0.5172623535055856,0.4316359399629909,0.4759954766636968,0.48472303132067707
EOS-3-21713,O=C(NC1CC1F)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)nn4)n23)c(F)c1,COYARKYIBIRTKO-UHFFFAOYSA-N,3,1,0.374,66,999,459.363,2.829,5,0.442,0.58,0.018,0.5015591803166335,0.6168357206497156,0.879720375573984,0.8383335617846618,0.7091122095812487
EOS-3-21714,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4C)n23)nc1,WARIRIYMIDHIGL-UHFFFAOYSA-N,3,1,0.422,51,775,429.419,2.768,5,0.416,0.66,0.999,0.6402062915495854,0.597637242135563,0.10629840312521417,0.08292783222534439,0.3567674422589267
EOS-3-21715,Cc1noc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)[nH]5)n34)cn2)n1,BFJISBABBTUJMV-UHFFFAOYSA-N,3,1,0.3,86,407,457.845,3.045,6,0.391,0.71,0.768,0.22579843739291344,0.362183880474265,0.10630697005003084,0.1605870056884381,0.21371907340141183
EOS-3-21716,Cn1cc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ncc(Cl)cn5)n34)cn2)cn1,FMAWBOQTZZLCRB-UHFFFAOYSA-N,3,1,0.225,86,249,456.861,2.278,6,0.392,0.65,1.0,0.0042320608594338975,0.06355801521485847,0.06662497429922555,0.10434514426701391,0.05969004866013296
EOS-3-21717,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)cn3)n12,GAOZZHCSIOHLIR-UHFFFAOYSA-N,3,1,0.477,18,904,419.445,3.465,5,0.416,0.76,1.0,0.6673120416695223,0.6645877595778219,0.37712459735453363,0.3658933589198821,0.51872943938044
EOS-3-21718,Cc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,UJZVONJVGKSSDU-UHFFFAOYSA-N,3,1,0.427,18,873,444.886,3.622,5,0.391,0.67,0.997,0.6201682544033994,0.572801727092043,0.3467634158042629,0.3883044342402851,0.4820094578849976
EOS-3-21719,c1cncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)cn2)c1,PIXHDMNCYUHWQY-UHFFFAOYSA-N,3,1,0.309,70,705,418.424,2.891,6,0.429,0.7,1.0,0.01219930093893496,0.01770783359605236,0.27308786238091975,0.2990028099513399,0.15049945171681173
EOS-3-21720,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,KQBPWFXEBCRJMJ-UHFFFAOYSA-N,3,1,0.484,37,482,450.865,3.396,5,0.391,0.66,1.0,0.5919745048317456,0.5976458090603797,0.5020217942567337,0.5374288945240216,0.5572677506682202
EOS-3-21721,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)c1Cl,OSCUNZMWXHXNNL-UHFFFAOYSA-N,3,1,0.5,16,606,447.861,4.323,5,0.396,0.72,1.0,0.8751199369474334,0.87538551161675,0.8447930230964293,0.8343071071208279,0.8574013946953603
EOS-3-21722,c1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncccn6)nn5)n34)cc2)cc1,CHCCSMSIDYKWRE-UHFFFAOYSA-N,3,1,0.352,93,774,417.436,3.496,6,0.433,0.77,1.0,0.00997190048660133,0.051821328216023574,0.2515677472414502,0.34962476869302994,0.16574643615927626
EOS-3-21723,Cc1cnc(-c2ccc(OCc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nc2)nc1,UYGKFGPDVFBTNL-UHFFFAOYSA-N,3,1,0.443,27,69,464.411,3.945,5,0.385,0.71,1.0,0.594904393119046,0.7224230690151463,0.8301521485847441,0.6220786786375163,0.6923895723391131
EOS-3-21724,Cc1cccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)n1,DXFYVFPDYPWTIQ-UHFFFAOYSA-N,3,1,0.478,4,534,443.898,4.493,5,0.395,0.74,1.0,0.5246384757727366,0.7756836406003701,0.6138715646631485,0.5921287094784456,0.6265805976286752
EOS-3-21725,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)nc1,DFZATUNGMPPQME-UHFFFAOYSA-N,3,1,0.418,11,692,431.406,3.543,5,0.38,0.68,1.0,0.6579483928449044,0.5447793160167227,0.5889760811459118,0.597894249880063,0.5973995099719005
EOS-3-21726,CNC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)cc(F)c(F)c4Cl)n23)nc1,OGMFUYLUVXYXJT-UHFFFAOYSA-N,3,1,0.407,90,244,448.792,3.196,4,0.372,0.67,1.0,0.6549585360838873,0.5781132204783771,0.8677181139058323,0.8222705777534096,0.7307651120553765
EOS-3-21727,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5ccccc5F)nn4)n23)ccc1Cl,NDKVAABEFDMBIQ-UHFFFAOYSA-N,3,1,0.482,57,417,436.809,4.972,5,0.395,0.81,1.0,0.9358594338976081,0.9659721746281955,0.9236515660338565,0.944323555616476,0.9424516825440341
EOS-3-21728,Cc1ccnc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)n1,OFAHMPBSMDEMHT-UHFFFAOYSA-N,3,1,0.404,7,949,431.847,2.974,5,0.413,0.62,1.0,0.45735384826262765,0.4810756630799808,0.19133369885545884,0.18747001576314165,0.32930830649030224
EOS-3-21729,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccco5)n4)n23)cc1,KWWWKFOUZQIRRP-UHFFFAOYSA-N,3,1,0.293,98,890,422.412,2.699,6,0.421,0.64,1.0,0.10261462545404701,0.03738605989993832,0.11158419573709821,0.1313052566650675,0.09572253443903778
EOS-3-21730,Cc1cc(F)c(Cl)cc1-c1nnc2cncc(Cc3ccc(-c4cncnn4)nc3)n12,XUIPNXFABYVOGE-UHFFFAOYSA-N,3,1,0.32,85,60,432.85,3.73,5,0.427,0.65,0.946,0.402362757864437,0.36219244739908163,0.67467103008704,0.7083733123158111,0.5368998869165924
EOS-3-21731,Fc1ncncc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)cc3Cl)n12,GWVZRTOULQATBP-UHFFFAOYSA-N,3,1,0.539,11,0,447.861,4.057,5,0.362,0.72,1.0,0.9336063326708245,0.9269755328627236,0.6716640394763895,0.7165290247412789,0.8121937324378041
EOS-3-21732,O=C(NCCO)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,DKXMOWBYZUTHSA-UHFFFAOYSA-N,3,1,0.418,89,408,469.465,1.339,5,0.34,0.82,1.0,0.3688403810568158,0.08805085326571174,0.15587519703927077,0.08123158111164416,0.17349950311836063
EOS-3-21733,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc1CC(F)(F)F,JGHFPURWJDHBIM-UHFFFAOYSA-N,3,1,0.433,68,473,452.799,4.1,4,0.41,0.65,0.999,0.7493917483380166,0.8519121376190802,0.9227691727777397,0.9035878281132205,0.8569152217120143
EOS-3-21734,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncnc4C(F)F)n23)cn1,CZBGZFPNACWRLQ-UHFFFAOYSA-N,3,1,0.349,68,66,408.372,2.473,5,0.54,0.84,0.995,0.20937564251936125,0.1977331916935097,0.17192104722088958,0.2103779727229114,0.19735196353916795
EOS-3-21735,Fc1cccnc1-c1ccnc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)c1,UZMTXTXWJPSGCI-UHFFFAOYSA-N,3,1,0.435,46,181,434.822,3.41,5,0.387,0.67,1.0,0.5272513878418204,0.5591546158590912,0.5365550681927216,0.5797752038928107,0.5506840689466109
EOS-3-21737,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(OC(F)F)ncc4F)n23)cn1,QOCFPLWBTADAAS-UHFFFAOYSA-N,3,1,0.356,68,127,416.323,1.743,4,0.522,0.63,0.997,0.5976458090603797,0.5728102940168597,0.33203687204441096,0.24518538825303268,0.4369195908436707
EOS-3-21738,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cn5)n34)cn2)n1,HHKLFMGGZGOACU-UHFFFAOYSA-N,3,1,0.296,99,968,438.415,1.797,6,0.396,0.64,1.0,0.1482849016517031,0.09722602974436297,0.019378383935302584,0.013946953601535193,0.06970906723322595
EOS-3-21740,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)c(F)c1,MGGHDNXMZIUETK-UHFFFAOYSA-N,3,1,0.512,73,980,453.84,4.097,5,0.398,0.7,1.0,0.8598451099993146,0.8281132204783771,0.8384534987320952,0.8422400795010623,0.8421629771777124
EOS-3-21741,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)c(Cl)c1,DAYNVRFRRWHRRR-UHFFFAOYSA-N,3,1,0.472,73,526,453.84,4.097,5,0.398,0.7,1.0,0.6706617092728394,0.7039270783359606,0.8416318278390789,0.847662942910013,0.765970889589473
EOS-3-21742,c1ncc(-c2ncc(-c3nnc4cncc(Cc5ccnc(-c6cncs6)c5)n34)cn2)nn1,GVXKWZIHFKVZFG-UHFFFAOYSA-N,3,1,0.282,86,780,451.479,2.543,6,0.385,0.66,1.0,0.09992461106161332,0.07783907888424371,0.08447844561716127,0.0960694948941128,0.08957790761428278
EOS-3-21743,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)nc1,DMNFBLAEQLSDLH-UHFFFAOYSA-N,3,1,0.543,73,82,451.824,4.154,5,0.396,0.68,1.0,0.970598314029196,0.930136728120074,0.8335275169625112,0.8512781851826469,0.896385186073607
EOS-3-21744,Cc1ncc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)c(-c2cccnc2)n1,YBENWCZAYSBYPI-UHFFFAOYSA-N,3,1,0.275,86,114,444.462,3.471,6,0.402,0.63,0.939,0.07472071825097663,0.02618908916455349,0.11466828867109863,0.13788465492426838,0.08836568775272428
EOS-3-21746,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ncccn5)cn4)n23)cn1,AWDWLGMFUYGVBS-UHFFFAOYSA-N,3,1,0.457,51,969,433.382,2.95,5,0.398,0.64,1.0,0.6915478719758755,0.6938352409019258,0.4205075046261394,0.3302892193818107,0.5340449592214378
EOS-3-21747,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1ncccn1,VONPXHSAJZMDLT-UHFFFAOYSA-N,3,1,0.421,49,896,444.43,3.073,5,0.39,0.65,1.0,0.577419299568227,0.5127561510520183,0.2156980330340621,0.13336988554588444,0.359810842300048
EOS-3-21748,Cc1nc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)cn4)n23)ncc1F,TUNSCOWGYCQMSZ-UHFFFAOYSA-N,3,1,0.287,50,261,418.823,3.806,5,0.411,0.76,1.0,0.3141319991775752,0.3908059762867521,0.48143547392228087,0.5669590843670756,0.43833313343842095
EOS-3-21749,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,FACGCTBHIAZVPF-UHFFFAOYSA-N,3,1,0.598,15,922,431.887,3.862,5,0.406,0.64,1.0,0.9143907203070386,0.8127784250565417,0.4742563909259132,0.47319409224864645,0.6686549071345349
EOS-3-21750,Cc1cc(COc2cncc3nnc(-c4cccc(-c5cc(F)ccn5)c4)n23)cc(C)n1,GSXYWHPGJCJFCY-UHFFFAOYSA-N,3,1,0.518,1,666,426.455,4.583,5,0.409,0.77,1.0,0.7670910150092523,0.6119440065793983,0.732489205674731,0.6539219381810705,0.691361541361113
EOS-3-21751,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)nn2)cn1,BOGMLKFZPYYPMM-UHFFFAOYSA-N,3,1,0.329,98,765,453.445,2.583,6,0.4,0.61,1.0,0.12345795353299979,0.29410252895620587,0.25853265711740114,0.2664227948735522,0.23562898362003976
EOS-3-21752,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4C#N)n23)nc1,YHGKCGMGTVBHFJ-UHFFFAOYSA-N,3,1,0.396,46,62,427.403,2.572,5,0.42,0.64,1.0,0.7037471729148105,0.5497652662600233,0.5164913302720855,0.43830100747035844,0.5520761942293194
EOS-3-21753,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4cnc(C)c(F)c4)n23)cc1Cl,LWCQETSWCWCGJZ-UHFFFAOYSA-N,3,1,0.319,74,413,476.903,3.714,5,0.424,0.72,1.0,0.18424885203207456,0.2526129120690837,0.5398104996230553,0.4942344595983826,0.367726680830649
EOS-3-21754,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ccc(-c5ccnnc5)cc4)n23)cc1,VQDBYCUMYWJFGA-UHFFFAOYSA-N,3,1,0.276,69,220,428.459,4.372,6,0.411,0.74,1.0,0.10998218079638133,0.06719895826194229,0.5826708244808444,0.645526351860736,0.35134457884997605
EOS-3-21755,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)nc1,PBEJRSQXPAPOIZ-UHFFFAOYSA-N,3,1,0.278,30,301,431.463,3.711,6,0.419,0.67,0.998,0.07896991296004387,0.03136351175382085,0.3320454389692276,0.35920259063806453,0.2003953635802892
EOS-3-21756,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncn5C)nn4)n23)nc1,SEGAYLUYFNOXOX-UHFFFAOYSA-N,3,1,0.366,33,760,457.458,1.1,5,0.376,0.63,1.0,0.20373860598999383,0.059522993626207936,0.01602871633198547,0.004951682544033994,0.07106049962305531
EOS-3-21757,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5nc(Cl)cnc5F)n34)cc2)n1,JFSFQDVKBPETLJ-UHFFFAOYSA-N,3,1,0.506,20,320,451.853,2.791,5,0.387,0.65,1.0,0.722148927421013,0.7270834761154136,0.19134226578027552,0.22464190254266328,0.46630414296484135
EOS-3-21758,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cn2)n1,VNTMGUJBMPDNFV-UHFFFAOYSA-N,3,1,0.293,94,780,449.413,2.696,6,0.37,0.64,1.0,0.284944486327188,0.2732335001028031,0.25157631416626686,0.28402782537180454,0.2734455314920156
EOS-3-21759,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)cc1,IUDAGWXXJBIDEL-UHFFFAOYSA-N,3,1,0.306,30,871,417.436,3.496,6,0.433,0.73,0.806,0.019935234048385993,0.03739462682475499,0.26217360016448493,0.31773867452539234,0.15931053389075456
EOS-3-21760,N#Cc1cc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,GFNJNAQQEULRIM-UHFFFAOYSA-N,3,1,0.494,2,815,458.844,3.886,5,0.389,0.69,1.0,0.6975875539716263,0.7798557329860873,0.8416403947638955,0.8530943732437805,0.7930445137413473
EOS-3-21761,N#Cc1cnc(-c2ncc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)s2)nn1,FGBKWCJWJRURQL-UHFFFAOYSA-N,3,1,0.362,52,916,480.517,2.454,6,0.387,0.8,0.943,0.09280549653896238,0.1070608594338976,0.01938695086011925,0.03638372969638819,0.06390925913234186
EOS-3-21762,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)n2)s1,NELPXLLQCWOAQX-UHFFFAOYSA-N,3,1,0.27,76,176,450.491,3.532,6,0.397,0.66,0.934,0.06677917894592557,0.07094270440682612,0.03983620039750531,0.05867486806935782,0.059058237954903704
EOS-3-21763,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)c(C)n4)n23)n1,NTIIXKRTYIMCQW-UHFFFAOYSA-N,3,1,0.412,31,690,427.472,2.615,5,0.407,0.68,1.0,0.4155815228565554,0.17610170653142349,0.0442567336029059,0.02307929545610308,0.16475481461174699
EOS-3-21764,Cc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cncn5C)cc4)n23)nn1,AGHNBIBYPKIULU-UHFFFAOYSA-N,3,1,0.304,38,787,445.49,4.019,6,0.404,0.66,1.0,0.09752587211294633,0.05182989514084024,0.3581231581111644,0.3334932492632445,0.21024304365704888
EOS-3-21765,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccc2F)n[nH]1,ILZDIPNBSLDQIZ-UHFFFAOYSA-N,3,1,0.534,4,71,436.838,3.651,5,0.448,0.65,1.0,0.6613751627715715,0.7672880542800357,0.5398190665478719,0.582936399150161,0.63785467068741
EOS-3-21766,COc1nnc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1cnn(C)c1,LPPJQJUGBBSMKI-UHFFFAOYSA-N,3,1,0.385,92,658,430.432,1.402,5,0.373,0.66,1.0,0.24770406414913304,0.07448084435610994,0.04279178945925571,0.019806730176135975,0.09619585703515866
EOS-3-21767,COc1cncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cc2)c1,ODXSUFHNDZESPJ-UHFFFAOYSA-N,3,1,0.323,3,783,464.464,4.249,6,0.376,0.77,1.0,0.06494585703515866,0.2886453978479885,0.6746795970118566,0.6653759166609554,0.4234116921389898
EOS-3-21768,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cncnc6)n5)n34)cc2)c1,RJXNMTSXNQVLCW-UHFFFAOYSA-N,3,1,0.366,41,696,446.449,4.511,6,0.393,0.73,1.0,0.3292012199300939,0.4720461243232129,0.6825440339935577,0.7297734905078473,0.553391217188678
EOS-3-21769,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)nc1,HLUIADUOTDMOCU-UHFFFAOYSA-N,3,1,0.308,32,171,446.449,4.511,6,0.393,0.73,1.0,0.3214053183469262,0.41462202727708863,0.745022616681516,0.7560139812213008,0.559265985881708
EOS-3-21770,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)c1,QSCBTJLRTAGANX-UHFFFAOYSA-N,3,1,0.37,32,170,446.449,4.511,6,0.393,0.73,0.999,0.26083715989308476,0.36713556301829897,0.6825526009183743,0.7244962648207799,0.5087553971626345
EOS-3-21771,Fc1cc(-c2cccnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cccnc4)cn3)n12,LMMWSOOXWAXXSD-UHFFFAOYSA-N,3,1,0.299,32,174,446.449,4.511,6,0.393,0.73,1.0,0.2504197793160167,0.3330563360975944,0.7297563566582139,0.7560225481461175,0.5173137550544856
EOS-3-21772,c1ccc(-c2cnc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cn2)nc1,HPFSUIZVGZVPCG-UHFFFAOYSA-N,3,1,0.271,86,37,419.412,2.286,6,0.423,0.7,1.0,0.0013278733465835104,0.0031526283325337538,0.09864813926392982,0.13131382358988417,0.05861061613323281
EOS-3-21773,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncn(C)c5=O)n4)n23)cc1F,YYSUTNLDTMHRIC-UHFFFAOYSA-N,3,1,0.464,4,788,461.432,3.113,5,0.396,0.66,1.0,0.5605681584538414,0.43265540401617436,0.5733585772051264,0.5474436296347063,0.5285064423274621
EOS-3-21774,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)c(F)n1,BAAKWOVPSVFXBI-UHFFFAOYSA-N,3,1,0.512,97,992,434.381,4.245,5,0.385,0.73,1.0,0.9639846480707285,0.9139366732917552,0.9113751627715715,0.897539579192653,0.9217090158316771
EOS-3-21775,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)nc5)cn4)n23)cn1,KXFLENNZEUYYJM-UHFFFAOYSA-N,3,1,0.46,7,535,431.847,2.974,5,0.387,0.66,1.0,0.6402148584744021,0.713299294085395,0.29895140840243983,0.25723048454526765,0.4774240113768762
EOS-3-21776,COc1ncc(-c2ncc(F)c(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n2)cn1,XYTDYXHXQFROJN-UHFFFAOYSA-N,3,1,0.371,7,775,465.836,2.813,5,0.369,0.71,1.0,0.6857137961757248,0.7085874854362278,0.194888972654376,0.19026283325337537,0.444863271879926
EOS-3-21777,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)nn1,KWHOAOXLBMLWMO-UHFFFAOYSA-N,3,1,0.367,53,395,431.847,2.974,5,0.387,0.66,0.999,0.547657802755123,0.4852306216160647,0.2844561716126379,0.29001610581865533,0.40184017545062023
EOS-3-21778,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C)nn5cncc45)n23)nc1,ONHAYYNBTWAWEV-UHFFFAOYSA-N,3,1,0.37,33,760,415.417,1.476,5,0.458,0.71,1.0,0.3141405661023919,0.10035295730244671,0.08448701254197793,0.04120690836817216,0.13504686107874717
EOS-3-21779,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)cn1,UWBOMDCYYRSZJR-UHFFFAOYSA-N,3,1,0.44,55,468,434.41,3.147,5,0.392,0.7,0.998,0.5091837434034678,0.4590158316770612,0.5298043314371873,0.45125419779316017,0.4873145260777191
EOS-3-21780,COc1ncccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cncn5C)cc4)n23)n1,LEFXUMVWKFSVJB-UHFFFAOYSA-N,3,1,0.315,8,973,451.454,2.238,6,0.388,0.64,1.0,0.1155506819272154,0.10369405798094716,0.06071379617572476,0.049165581522856557,0.08228102940168597
EOS-3-21781,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)n5)cn4)n23)cc1,XKJUWQKBXDGUAN-UHFFFAOYSA-N,3,1,0.575,97,210,450.289,4.529,5,0.364,0.76,1.0,0.9083339044616544,0.9511428277705435,0.6581796998149544,0.7560311150709341,0.8184218867795217
EOS-3-21782,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)cc1-c1cccnc1,WWNPCCFBFPYPMI-UHFFFAOYSA-N,3,1,0.463,95,235,450.865,3.396,5,0.391,0.67,1.0,0.44338976081145914,0.4146305942019053,0.44987492289767667,0.49424302652319924,0.45053457610856007
EOS-3-21783,N#Cc1ccc(-c2nnc3cncc(OCc4cccc(-n5cccc5)n4)n23)cc1Cl,JNGXBJIQYXGMII-UHFFFAOYSA-N,3,1,0.54,1,92,427.855,4.081,5,0.419,0.74,1.0,0.5801521485847441,0.6743197861695566,0.7906072236310054,0.7900675073675554,0.7087866664382154
EOS-3-21784,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4cncnc4-c4cccnc4)n23)nc1,QRBQNZNUBPZPMQ-UHFFFAOYSA-N,3,1,0.36,94,318,448.45,3.231,6,0.391,0.68,1.0,0.3036803509012405,0.15966177780823795,0.2657288739634021,0.21344493180727847,0.23562898362003976
EOS-3-21785,FCCn1cncc1-c1ccc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)nc1,BGLDXBSQXOINPW-UHFFFAOYSA-N,3,1,0.5,13,573,435.85,4.465,5,0.391,0.75,0.995,0.46903913371256256,0.5219398944554863,0.5889846480707285,0.6539305051058872,0.5584735453361661
EOS-3-21786,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ccn2)nc1,HRQMJQVRWDLGCJ-UHFFFAOYSA-N,3,1,0.642,11,159,430.418,4.148,5,0.403,0.7,1.0,0.9239085737783566,0.8281217874031938,0.8052566650675074,0.807535467068741,0.8412056233294497
EOS-3-21787,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(CO)cc5)cn4)n23)cn1,OKZSNNQCMRHHRP-UHFFFAOYSA-N,3,1,0.458,89,205,468.477,2.074,5,0.367,0.76,1.0,0.5949129600438626,0.2781851826468371,0.2585412240422178,0.142407991227469,0.31851183949009665
EOS-3-21788,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)nc1,GHDPTHRXKGVDEF-UHFFFAOYSA-N,3,1,0.471,2,346,434.822,3.41,5,0.387,0.65,1.0,0.8711020492084162,0.8941128092659859,0.582679391405661,0.6008755397162634,0.7371924473990816
EOS-3-21790,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccn2)no1,DOLXMTAQZQQGRI-UHFFFAOYSA-N,3,1,0.566,16,391,437.822,3.916,5,0.407,0.71,1.0,0.8532657117401138,0.8581402919607978,0.5630782674251251,0.5921372764032623,0.7166553868823247
EOS-3-21791,Cc1ccnc(CCOc2cncc3nnc(-c4cc(-c5csc(C)n5)ncn4)n23)c1,CQBWLIJNFDZQIZ-UHFFFAOYSA-N,3,1,0.432,31,481,430.497,3.338,5,0.404,0.74,0.687,0.40029812898362005,0.20712254129257762,0.08931875813857858,0.06316393667329176,0.18997584127201703
EOS-3-21792,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccccc4OC(F)F)n23)cc1,GQYXGDAQUVZRTO-UHFFFAOYSA-N,3,1,0.385,62,3,462.416,4.074,5,0.405,0.72,0.999,0.6489616887122198,0.5401446096909054,0.7351106846686314,0.6162446028373655,0.6351153964772804
EOS-3-21793,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5cccc(Cl)c5)c4)n23)c1,MEDIYSBMBIMVPT-UHFFFAOYSA-N,3,1,0.545,11,275,446.873,4.662,5,0.377,0.75,1.0,0.8644112809265986,0.9008978137207868,0.7844733054622712,0.8343156740456446,0.8460245185388253
EOS-3-21794,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)nn1C,OUEJFJNQTCEHQT-UHFFFAOYSA-N,3,1,0.516,65,981,447.89,2.96,5,0.391,0.68,1.0,0.5165941333698856,0.5833047769172778,0.09865670618874649,0.12034815982454938,0.3297259440751148
EOS-3-21795,Cc1cc(-c2ccnn2C)c(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cn1,YIZMDPRJGPWGTJ-UHFFFAOYSA-N,3,1,0.263,10,37,452.457,3.282,6,0.404,0.63,0.998,0.006896374477417586,0.1596703447330546,0.33926735658967855,0.35921115756288124,0.216261308340758
EOS-3-21796,CC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncccc5F)ccc4F)n23)nc1,LOIXOGSPMQQTEG-UHFFFAOYSA-N,3,1,0.34,96,46,428.402,4.396,5,0.395,0.76,1.0,0.2739788225618532,0.3192721540675759,0.7707148242067028,0.7484065519840998,0.528093088205058
EOS-3-21798,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cc1F,TWWVADSEJZFPMB-UHFFFAOYSA-N,3,1,0.506,20,610,451.853,2.791,5,0.387,0.63,0.999,0.7127681447467618,0.7270920430402302,0.2844647385374546,0.3302977863066274,0.5136556781577685
EOS-3-21799,Fc1ccc(Cl)cc1-c1ncc(-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)cn1,LJZZCQGWYIMCCR-UHFFFAOYSA-N,3,1,0.314,86,151,470.859,3.684,6,0.383,0.72,1.0,0.01893290384483586,0.15596943321225412,0.43544822150640805,0.5344476046878213,0.28619954081282983
EOS-3-21800,Cc1nc(-c2ccc(F)c(Cl)c2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,WGXTYGWTECIKAJ-UHFFFAOYSA-N,3,1,0.511,44,531,461.888,4.366,5,0.371,0.75,1.0,0.8320540058940443,0.762739017202385,0.6408573778356521,0.6653844835857721,0.7252587211294634
EOS-3-21801,Clc1ncc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)cn1,NXPNDXJAWYBXBZ-UHFFFAOYSA-N,3,1,0.438,18,840,430.859,3.313,5,0.378,0.68,1.0,0.6706702761976561,0.655172709204304,0.3732951819614831,0.4034593242409705,0.5256493729011035
EOS-3-21803,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)nc1,OSPINFFXHVHFRQ-UHFFFAOYSA-N,3,1,0.292,32,392,418.424,3.095,6,0.463,0.71,1.0,0.13975224453430196,0.14072887396340208,0.23711534507573162,0.2543348639572339,0.1929828318826674
EOS-3-21804,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncnc5Cl)n34)cn2)nc1,LKZCJPATCSSADI-UHFFFAOYSA-N,3,1,0.44,55,85,431.847,2.974,5,0.387,0.67,1.0,0.7401394695360154,0.717916866561579,0.24085909122061544,0.23963402097183195,0.48463736207251046
EOS-3-21805,COc1nc(-c2nnc3cncc(OC4CC(F)(F)C4)n23)ccc1-c1ncc(F)cn1,FITHKJYEXUBZCE-UHFFFAOYSA-N,3,1,0.393,68,457,429.362,2.968,5,0.477,0.59,0.785,0.8246521828524432,0.7715029812898362,0.5666164073744089,0.5239445548625865,0.6716790315948187
EOS-3-21806,O=C(c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1)N1CCCC1,XZVIATPWAPSCLH-UHFFFAOYSA-N,3,1,0.448,52,800,479.504,2.853,6,0.361,0.82,1.0,0.16203481598245495,0.021511548214652867,0.006579398259200877,0.016200054828318825,0.05158145432115688
EOS-3-21807,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncs5)cn4)n23)nc1,SBBJHCCOHNLLFR-UHFFFAOYSA-N,3,1,0.29,94,892,435.476,3.829,6,0.411,0.69,0.999,0.08316770612021109,0.13321568089918442,0.23712391200054828,0.2720169967788363,0.18138107394969502
EOS-3-21808,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)c1,XIIINGMDVDLDBN-UHFFFAOYSA-N,3,1,0.321,10,543,436.41,4.104,6,0.406,0.68,0.999,0.2037471729148105,0.22750325543143032,0.484939346172298,0.5979028168048797,0.3785231478308546
EOS-3-21809,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cncs5)ns4)n23)cc1,RIDWVEYBKKAJDR-UHFFFAOYSA-N,3,1,0.584,4,539,427.902,3.999,5,0.418,0.73,1.0,0.5949215269686793,0.8008532657117401,0.12591666095538345,0.2543434308820506,0.4440087211294633
EOS-3-21811,Cn1nnnc1-c1ccccc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)s3)n12,QYRULCBJDGQFON-UHFFFAOYSA-N,3,1,0.406,63,512,473.522,2.515,6,0.382,0.76,0.999,0.2258070043177301,0.11604756356658213,0.01137687615653485,0.016876841888835585,0.09252707148242068
EOS-3-21812,Fc1ccnc(-c2ccccc2)c1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,KADUHWIOGKXOMT-UHFFFAOYSA-N,3,1,0.447,73,210,433.834,4.015,5,0.413,0.71,1.0,0.7610856007127681,0.779864299910904,0.48494791309711466,0.592145843328079,0.6545109142622164
EOS-3-21813,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)o1,HDXJHBVODOSVBG-UHFFFAOYSA-N,3,1,0.552,35,655,432.871,4.425,5,0.392,0.75,1.0,0.82466074977726,0.722431635939963,0.5986652731135631,0.5764512370639435,0.6805522239736824
EOS-3-21814,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)nc5)n34)cn2)n1,QATWHXGBEUGMEK-UHFFFAOYSA-N,3,1,0.305,10,693,468.431,3.384,6,0.387,0.69,1.0,0.2394883832499486,0.3088890411897745,0.49163868137893224,0.5506390925913234,0.39766379960249465
EOS-3-21815,Fc1cnccc1-c1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1F,IYRDGWPDIVSXLD-UHFFFAOYSA-N,3,1,0.53,35,846,431.406,3.543,5,0.406,0.67,1.0,0.8989445548625865,0.8832842162977178,0.737440888218765,0.735376259337948,0.8137614796792544
EOS-3-21816,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)ncn2)nn1,RZLQLPVMKLHHHT-UHFFFAOYSA-N,3,1,0.28,70,566,445.45,2.866,6,0.399,0.63,0.963,0.0747292851757933,0.04467651291892262,0.11766671235693235,0.13789322184908506,0.09374143307518334
EOS-3-21817,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnc(C)o6)cn5)n34)nn2)n1,OEKIMUCIHZLAFK-UHFFFAOYSA-N,3,1,0.292,70,37,436.439,3.101,6,0.41,0.65,0.915,0.006904941402234254,0.01934411623603591,0.11159276266191488,0.09210300870399561,0.05748620725104517
EOS-3-21818,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccn4)n23)cc1,DIVAIXJMCVDVHB-UHFFFAOYSA-N,3,1,0.511,56,868,462.477,3.018,6,0.367,0.67,1.0,0.37101637996024944,0.18878932218490851,0.30972859982180795,0.25113083407580017,0.28016628401069155
EOS-3-21819,Cn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)cn1,ZAQDGQZXYRXRBH-UHFFFAOYSA-N,3,1,0.378,38,594,448.465,4.455,6,0.396,0.73,1.0,0.26084572681790147,0.38611986841203483,0.6908025495168254,0.7165375916660955,0.5135764341032143
EOS-3-21820,COc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,OBDKGPUJTUIATF-UHFFFAOYSA-N,3,1,0.466,55,540,446.858,3.279,5,0.387,0.66,1.0,0.7037557398396271,0.5833133438420944,0.3545336166129806,0.30859776574600783,0.48755011651017754
EOS-3-21821,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)c1,WOLRJIASFNMMGK-UHFFFAOYSA-N,3,1,0.5,92,544,423.44,2.741,5,0.423,0.67,0.781,0.2765060653827702,0.11022205469124803,0.3845007196216846,0.26643136179836885,0.2594150503735179
EOS-3-21822,c1c[nH]c(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nn[nH]n6)nnn5)n34)cc2)n1,GZELLYNTMHPKBI-UHFFFAOYSA-N,3,1,0.415,71,614,439.403,1.125,6,0.38,0.67,0.993,0.4273953121787403,0.4098502501542046,0.04426530052772257,0.049174148447673226,0.23267125282708517
EOS-3-21823,Cc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,YCJOOTGYEVMPLQ-UHFFFAOYSA-N,3,1,0.452,65,116,445.874,3.017,5,0.388,0.63,1.0,0.7283256802138305,0.7317695839901309,0.10631553697484751,0.12493146460146666,0.42283556644506887
EOS-3-21824,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)c(F)c1,KCGUGGZCXRUDFA-UHFFFAOYSA-N,3,1,0.511,73,817,435.369,3.64,5,0.416,0.66,1.0,0.755105887190734,0.8753940785415667,0.8416489616887122,0.8422486464258789,0.8285993934617228
EOS-3-21825,Cc1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5ccnc(Cl)c5)n4)n23)nn1,CNCIEIWOSFFVLR-UHFFFAOYSA-N,3,1,0.262,50,261,419.811,3.201,5,0.41,0.71,0.773,0.2794445205948873,0.32394112809265985,0.25854979096703445,0.36899458570351584,0.3077325063395243
EOS-3-21826,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1,QZAFUYHAQFQBFO-UHFFFAOYSA-N,3,1,0.34,6,318,436.439,3.164,6,0.437,0.64,1.0,0.4155900897813721,0.3479713522034131,0.28825988623123844,0.22188335275169624,0.31842617024193
EOS-3-21827,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)ncc1F,ZNXWJTOVVIUYPY-UHFFFAOYSA-N,3,1,0.318,3,668,448.465,4.549,6,0.393,0.71,1.0,0.06886950860119252,0.167449112466589,0.5666249742992255,0.557406963196491,0.3400876396408745
EOS-3-21830,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cncn5C)n34)ccc2F)cn1,OEHCFBQUTSVYNC-UHFFFAOYSA-N,3,1,0.512,26,847,418.436,2.686,5,0.421,0.74,1.0,0.542500514015489,0.5591631827839079,0.4536786375162772,0.3818792406277843,0.48430539373586456
EOS-3-21831,N#Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c(F)c1,PCBOKGQMQBDGFL-UHFFFAOYSA-N,3,1,0.518,24,912,423.411,3.838,5,0.423,0.73,1.0,0.87512850387225,0.7841905969433213,0.8431310396819958,0.8143376053731752,0.8291969364676856
EOS-3-21832,NC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)c(F)c4)n23)cn1,AUMAZAUKKVOJNS-UHFFFAOYSA-N,3,1,0.354,83,3,410.412,3.758,5,0.486,0.89,1.0,0.2876859022685217,0.2119371530395449,0.6610838873278048,0.6801538619697074,0.4602152011513947
EOS-3-21833,Cc1cnc(-c2cc(-c3nnc4cncc(F)n34)nc(COc3ccc(F)c(Cl)c3)n2)cn1,NNUVRFBHQLEJMQ-UHFFFAOYSA-N,3,1,0.372,46,330,466.839,3.857,5,0.384,0.73,0.998,0.5801607155095607,0.6070694263587143,0.5733671441299432,0.6162531697621821,0.5942126139401
EOS-3-21834,Cc1cnc(C)c(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)n1,YZCLCPUNSJXILA-UHFFFAOYSA-N,3,1,0.484,7,99,444.886,3.888,5,0.402,0.67,1.0,0.6063498046741141,0.5634980467411418,0.3282074566513604,0.3148259200877253,0.4532203070385854
EOS-3-21835,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ncc4Cl)n23)cn1,BXZJDOAVYXWZIJ-UHFFFAOYSA-N,3,1,0.429,92,105,435.839,1.708,5,0.401,0.62,1.0,0.4338462065656912,0.5172709204304023,0.053157768487423755,0.06317250359810843,0.2668618497704064
EOS-3-21836,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncnc(-c5cncs5)n4)n23)cc1,ICJJRJFVWVTSIX-UHFFFAOYSA-N,3,1,0.333,94,136,454.454,3.363,6,0.395,0.66,0.522,0.2765146323075869,0.3622010143238983,0.1783805085326571,0.2664399287231855,0.27088402097183195
EOS-3-21837,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)n1C,QXGHFGAFGOLZRP-UHFFFAOYSA-N,3,1,0.417,89,463,481.52,2.761,6,0.376,0.81,1.0,0.35747207182509766,0.1520629154958536,0.06274415735727504,0.04637276403262285,0.15466297717771227
EOS-3-21838,C#Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cncn5C(F)F)cn4)n23)cc1C#N,NDKMEVSDNCRMQP-UHFFFAOYSA-N,3,1,0.297,50,974,439.389,3.36,5,0.395,0.66,0.752,0.24481701048591598,0.32843876362141045,0.8588856144198479,0.8011702419299568,0.5583279076142827
EOS-3-21839,Cc1ncc(C)c(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1,XFMBCSYNZGFNSZ-UHFFFAOYSA-N,3,1,0.384,46,128,445.874,3.283,5,0.401,0.65,0.996,0.47159207730792957,0.5728188609416763,0.18805256665067507,0.19310705229250907,0.35639263929819753
EOS-3-21840,CCc1ccc(-c2cc(-c3nnc4cncc(OCc5cn(C)nc5C)n34)ccn2)cn1,IJVRQFFETGZBPM-UHFFFAOYSA-N,3,1,0.5,92,43,426.484,3.432,5,0.41,0.71,1.0,0.16477623192378862,0.1332242478240011,0.20537488862997738,0.11336611609896512,0.15418537111918304
EOS-3-21841,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cc(-c4cnsc4)cnc3F)n12,OFFMBKWXVOIMEQ-UHFFFAOYSA-N,3,1,0.354,82,859,431.456,3.523,5,0.436,0.64,1.0,0.09051812761291207,0.19774175861832635,0.5398276334726887,0.45759372215749433,0.32142031046535535
EOS-3-21842,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)n1,PZAODFHTEDXBKT-UHFFFAOYSA-N,3,1,0.343,42,762,423.396,3.262,6,0.416,0.67,1.0,0.2339284490439312,0.1443184154615859,0.15588376396408746,0.14486669864985266,0.16974933177986432
EOS-3-21843,O=C(NCc1ccsc1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)nc1,VEWHHGDNWJEZGG-UHFFFAOYSA-N,3,1,0.417,82,243,481.463,4.259,5,0.403,0.86,1.0,0.355039065177164,0.4236686998834898,0.8515094921526969,0.680162428894524,0.5775949215269687
EOS-3-21844,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)cn5)n34)nc2)nn1,GNPCGTZCIMAPLY-UHFFFAOYSA-N,3,1,0.321,32,572,461.464,4.215,6,0.384,0.7,1.0,0.1870074018230416,0.3140291960797752,0.47097525872112944,0.5006339524364334,0.3681614522650949
EOS-3-21845,CCn1c(-c2ccnc(F)c2)nnc1-c1cncc2nnc(-c3ccc(COC)nc3)n12,ROXSAIJRMYPJFP-UHFFFAOYSA-N,3,1,0.348,50,974,431.435,2.812,5,0.378,0.72,0.994,0.2093842094441779,0.30889760811459116,0.09866527311356316,0.12494003152628333,0.18547178054965388
EOS-3-21846,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cc1F,WEQOZEXJDXPZRR-UHFFFAOYSA-N,3,1,0.484,84,207,449.396,3.682,5,0.391,0.68,1.0,0.8090346789116579,0.7456822698923994,0.8620553766020149,0.8726355287505997,0.822351963539168
EOS-3-21847,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)n1,NLVSGFYJMOJRNT-UHFFFAOYSA-N,3,1,0.523,7,540,430.859,3.579,5,0.416,0.65,1.0,0.6706788431224727,0.7543776985813172,0.44633678294839285,0.4355424576793914,0.5767339455828936
EOS-3-21848,OCCn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)cc1,NYXLOWBEEQMDPM-UHFFFAOYSA-N,3,1,0.277,8,927,452.442,1.08,6,0.389,0.65,1.0,0.05970289904735796,0.0410098690973888,0.011385443081351518,0.014478102940168597,0.03164407854156672
EOS-3-21849,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)c(F)c1,HEKJTIINTKASDD-UHFFFAOYSA-N,3,1,0.375,3,192,466.455,4.594,6,0.378,0.8,1.0,0.20101432389829346,0.3330649030224111,0.7636642450825851,0.7945908436707559,0.5230835789185114
EOS-3-21850,Cc1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(-c2ncnn2C)n1,GQPUHAUSZYRZFF-UHFFFAOYSA-N,3,1,0.495,36,446,451.853,3.057,5,0.401,0.65,1.0,0.5450620245356727,0.6892005345761085,0.21927900760742924,0.2928774587074224,0.43660475635665813
EOS-3-21851,Cn1nnnc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)nc4)c3)n12,NLBGPTSSDOHDOW-UHFFFAOYSA-N,3,1,0.455,36,447,419.836,2.609,5,0.4,0.76,1.0,0.4457199643615928,0.4852391885408814,0.1558923308889041,0.2632101980673018,0.33751542046467004
EOS-3-21852,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccon5)nc4)n23)cc1,DRKREKRCGNMKIE-UHFFFAOYSA-N,3,1,0.317,32,543,437.398,3.499,6,0.408,0.65,0.997,0.22286854910561305,0.27819374957165377,0.35454218353779726,0.4544325269001439,0.327509252278802
EOS-3-21853,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)nc1,RWHCSPRJWZKSPE-UHFFFAOYSA-N,3,1,0.311,10,871,453.416,3.774,6,0.401,0.65,0.734,0.01994380097320266,0.202470701117127,0.46771126036597904,0.5797837708176273,0.317477383318484
EOS-3-21854,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)cc4F)n23)cn1,ZVQKIDRCWXCTTC-UHFFFAOYSA-N,3,1,0.471,73,815,431.406,3.809,5,0.418,0.69,1.0,0.7371153450757316,0.74997429922555,0.7399766979644986,0.7113203344527449,0.7345966691796313
EOS-3-21855,FC(F)n1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)cn1,JYGMXEFBHGOVSY-UHFFFAOYSA-N,3,1,0.278,42,7,456.42,3.897,6,0.418,0.69,1.0,0.11268932903844836,0.18436878897950792,0.7374494551435816,0.6712956617092728,0.4264508087177027
EOS-3-21856,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(C#N)nc5)n34)nc2)n1,NUYGJXVNDKYYIZ-UHFFFAOYSA-N,3,1,0.444,51,205,421.424,2.797,5,0.421,0.69,1.0,0.6063583715989308,0.5930453704338291,0.31351518059077516,0.242495373860599,0.43885357412103354
EOS-3-21857,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)nn2C)cn1,CMHNBJRYHANXLO-UHFFFAOYSA-N,3,1,0.444,95,569,453.869,2.734,5,0.389,0.64,0.945,0.37102494688506615,0.2782023164964704,0.37330374888629975,0.3849461997121513,0.3518693029949969
EOS-3-21858,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5Cl)n4)n23)nc1,ZREKNMCLPOSNNC-UHFFFAOYSA-N,3,1,0.295,10,871,455.873,2.883,6,0.398,0.62,0.668,0.027559797135220342,0.1596789116578713,0.11467685559591528,0.21038653964772805,0.12807552600918373
EOS-3-21859,Cc1ncc(COc2cncc3nnc(-c4cnc(-c5ccc(F)cn5)nc4)n23)c(CF)n1,MONIZSFDEGJSMW-UHFFFAOYSA-N,3,1,0.421,7,48,447.409,2.929,5,0.387,0.66,1.0,0.7098125556850113,0.5219484613803029,0.19833287643067646,0.18747858268795833,0.40439311904598724
EOS-3-21860,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)nc(C)n1,OSOVSRXNQOTTCZ-UHFFFAOYSA-N,3,1,0.435,58,617,445.874,3.283,5,0.401,0.63,1.0,0.5218970598314029,0.6256767870605168,0.1815245699403742,0.16290864231375504,0.37300176478651226
EOS-3-21862,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ncn2)nc1,DOKNTGWLORUDRO-UHFFFAOYSA-N,3,1,0.446,44,481,432.394,2.938,5,0.377,0.68,1.0,0.7221574943458297,0.54977383318484,0.5196439586046193,0.5143838667671853,0.5764897882256186
EOS-3-21863,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)nc1,XLZYCXSOFRTBBG-UHFFFAOYSA-N,3,1,0.264,70,968,434.467,3.522,6,0.441,0.63,0.688,0.10517613597423069,0.10036152422726338,0.2693184154615859,0.23660132958673155,0.17786435131245287
EOS-3-21864,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(CCOC)nc4)n23)nc1,IWYDAILOKNUXAY-UHFFFAOYSA-N,3,1,0.311,82,974,426.484,3.321,5,0.394,0.73,0.967,0.11269789596326503,0.06720752518675896,0.22275717908299636,0.15786272359673773,0.14013133095743951
EOS-3-21865,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2)n1C,UKNYBILLXNXGAJ-UHFFFAOYSA-N,3,1,0.53,27,250,448.437,3.807,5,0.39,0.73,1.0,0.5692207525186759,0.48989959564114866,0.5431601672263724,0.4355510246042081,0.5094578849976013
EOS-3-21866,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c1,AQYCPUAQKTVRKE-UHFFFAOYSA-N,3,1,0.311,42,727,436.504,4.377,6,0.408,0.72,1.0,0.09052669453772874,0.08482112260982798,0.3771331642793503,0.40670618874648756,0.23979679254334862
EOS-3-21867,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(C#N)c5)s4)n23)cn1,YNELFRDZDBALCO-UHFFFAOYSA-N,3,1,0.5,1,205,425.477,4.069,5,0.418,0.78,1.0,0.5140069220752519,0.639932149955452,0.5020303611815503,0.457602289082311,0.5283929305736413
EOS-3-21868,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)cn6)s5)n34)cc2)n1,FVYUBERWOUZUOK-UHFFFAOYSA-N,3,1,0.342,38,865,454.494,4.516,6,0.389,0.76,1.0,0.19273867452539237,0.3671441299431156,0.45703687204441096,0.469981495442396,0.3717252929888287
EOS-3-21869,Fc1ccc(-c2nnc3cncc(OCCc4ccc(C(F)F)cn4)n23)c(Cl)c1,UATKSKAHLNMVQC-UHFFFAOYSA-N,3,1,0.675,90,281,419.794,4.538,4,0.459,0.75,1.0,0.9534730313206772,0.9721831951202796,0.964387293537112,0.9649955451990954,0.9637597662942909
EOS-3-21870,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)nc1,BWUWGCQOIAISEL-UHFFFAOYSA-N,3,1,0.56,75,583,447.861,4.057,5,0.387,0.68,1.0,0.9069117949420876,0.8699112466588993,0.682561167843191,0.7192618737577959,0.7946615208004935
EOS-3-21871,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ccnn1C,UTVAKOYCURDOEN-UHFFFAOYSA-N,3,1,0.506,4,224,433.497,3.544,5,0.404,0.73,1.0,0.23949695017476527,0.17611027345624014,0.20538345555479406,0.10010451648276335,0.1802737989171407
EOS-3-21872,Fc1cnc(F)c(COc2cncc3nnc(-c4cncnc4-c4ncccn4)n23)c1,ULHZQDLXJSSHDE-UHFFFAOYSA-N,3,1,0.43,55,242,419.355,2.29,5,0.396,0.74,0.99,0.7923291755191556,0.611952573504215,0.3428483311630457,0.3557586868617641,0.525722191762045
EOS-3-21874,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cn2)n1,UNXYOLNZZMLSNL-UHFFFAOYSA-N,3,1,0.309,86,968,447.466,2.809,6,0.401,0.6,1.0,0.08317627304502775,0.05183846206565691,0.11767527928174902,0.10634123774929752,0.08975781303543282
EOS-3-21875,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)c(F)c1,HIATVNZNKJVRSR-UHFFFAOYSA-N,3,1,0.512,73,469,453.84,4.097,5,0.398,0.71,1.0,0.7191505037351792,0.8008618326365567,0.8335360838873278,0.8302977863066274,0.7959615516414229
EOS-3-21876,Fc1cccc(-c2cncnc2-c2nnc3cncc(-c4ncn(-c5ccccc5Cl)n4)n23)c1,WNAVNOXPACFHOB-UHFFFAOYSA-N,3,1,0.293,10,871,469.871,4.289,6,0.379,0.76,0.848,0.04216640394763896,0.21688026865876225,0.512687615653485,0.6945634295113426,0.3665744294428072
EOS-3-21877,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnnn5C)cc4F)n23)cn1,VBDSDUIGRJTSEP-UHFFFAOYSA-N,3,1,0.302,98,765,453.445,2.583,6,0.4,0.6,1.0,0.1182920978685491,0.22226029744362963,0.23713247892536496,0.26321876499211844,0.2102259098074155
EOS-3-21878,NC(=O)c1ccc(-c2nnc3cncc(Cc4csc(-c5cncnn5)c4)n23)c(Cl)c1,AKBOPIRUHNBCRJ-UHFFFAOYSA-N,3,1,0.356,85,60,448.899,3.048,5,0.438,0.59,1.0,0.12623363717360017,0.20713110821739428,0.3282160235761771,0.3496333356178466,0.25280352614625456
EOS-3-21879,Cc1ncccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,JBSVYTKDJSBEHZ-UHFFFAOYSA-N,3,1,0.304,93,289,430.475,4.409,6,0.412,0.7,1.0,0.014563772188335275,0.034541840860804605,0.4097046124323213,0.4291258309917072,0.2219840141182921
EOS-3-21880,Cc1cnc(-c2cccc(-c3nnc4cncc(COc5ncc(F)cc5Cl)n34)c2)cn1,YDTVZWYOUSMMNH-UHFFFAOYSA-N,3,1,0.365,14,351,447.861,4.323,5,0.396,0.73,1.0,0.5719193338359263,0.6449780686724693,0.6468285244328695,0.627758549790967,0.622871119183058
EOS-3-21881,Cc1cncc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)n1,NWYHSTFCPIFDBM-UHFFFAOYSA-N,3,1,0.612,2,422,447.861,4.323,5,0.396,0.73,1.0,0.832062572818861,0.8127869919813584,0.8072784593242409,0.7968268110479062,0.8122387087930916
EOS-3-21882,N#Cc1cc(Cc2cncc3nnc(-c4cccnc4-c4cccc(F)c4F)n23)ccc1F,KDIFLIHZWVOWBZ-UHFFFAOYSA-N,3,1,0.386,14,358,442.404,4.733,5,0.402,0.76,0.999,0.44572853128640944,0.5883849633335618,0.9676684257418957,0.9716948804057296,0.7433692001918991
EOS-3-21883,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cn2)n1,CLRFEXQKQHXNNK-UHFFFAOYSA-N,3,1,0.288,10,871,422.412,2.792,6,0.421,0.71,1.0,0.05625042834624083,0.06356658213967514,0.053166335412240424,0.06167329175519155,0.05866415941333698
EOS-3-21884,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)nn4C)n23)cc1,SAVYDSGFQWWESR-UHFFFAOYSA-N,3,1,0.329,98,882,469.9,3.098,6,0.361,0.73,1.0,0.13731067096155164,0.26808477828798577,0.10120108285929683,0.15244842711260365,0.16476123980535948
EOS-3-21885,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccccn6)cn5)n34)cc2)c1,HYOUANYEXFKBQC-UHFFFAOYSA-N,3,1,0.349,93,987,452.481,4.849,6,0.376,0.82,1.0,0.2368754711808649,0.29890000685353985,0.7272633815365637,0.7534439037763004,0.5041206908368172
EOS-3-21886,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)ncn2)n1,SQEISGJBAFNXOB-UHFFFAOYSA-N,3,1,0.261,99,14,435.415,1.291,6,0.394,0.63,0.907,0.07473785210060996,0.034550407785621275,0.02505825508875334,0.02745699403742033,0.040450877253101224
EOS-3-21887,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)[nH]4)n23)cc1F,DOXFOMUVHXHZKI-UHFFFAOYSA-N,3,1,0.329,3,693,437.442,3.783,6,0.45,0.64,0.99,0.18148173531629086,0.3239496950174765,0.49488554588444933,0.5175450620245357,0.3794655095606881
EOS-3-21888,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cncs6)n5C)n34)cc2)nn1,KHSVBJGWANPYRY-UHFFFAOYSA-N,3,1,0.311,8,474,452.507,3.476,6,0.4,0.67,1.0,0.06317250359810843,0.10037009115208005,0.05683297923377424,0.07767630731272702,0.07451297032417244
EOS-3-21889,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)ccn2)cn1,PSQBEPIEBGSSCX-UHFFFAOYSA-N,3,1,0.466,75,99,444.886,3.888,5,0.402,0.68,1.0,0.5692293194434925,0.572827427866493,0.4463453498732095,0.39437838393530256,0.4956951202796244
EOS-3-21890,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)cn2)cn1,ZOVQARNTHCEWEE-UHFFFAOYSA-N,3,1,0.304,10,952,453.857,2.939,6,0.37,0.67,0.992,0.0322801727092043,0.18033376739085738,0.16871701733945582,0.27496401891577,0.16407374408882186
EOS-3-21891,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(CO)o4)n23)c1,PTQNWOAVBLWYDS-UHFFFAOYSA-N,3,1,0.547,4,677,420.404,2.995,5,0.45,0.72,1.0,0.532160235761771,0.4720546912480296,0.7013741347405935,0.5888989788225618,0.573622010143239
EOS-3-21892,COCc1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5Cl)n4)n23)cn1,RCYVKEAZKIASOH-UHFFFAOYSA-N,3,1,0.349,22,336,430.859,3.505,5,0.417,0.63,0.994,0.34600095949557946,0.4236772668083065,0.36932012884654924,0.4670259063806456,0.4015060653827702
EOS-3-21893,CCc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1cnc(C)nc1,CATFQARXUMQEPQ-UHFFFAOYSA-N,3,1,0.412,51,717,442.458,3.627,5,0.393,0.7,0.988,0.5801692824343774,0.4946542389143993,0.35063566582139677,0.27202556370365294,0.4243711877184566
EOS-3-21895,Fc1cc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)ccc1-c1cncnc1,TZGIRHCRPVCIKJ-UHFFFAOYSA-N,3,1,0.302,94,515,447.437,3.906,6,0.4,0.65,0.998,0.31904941402234255,0.39545781646220274,0.5889932149955452,0.6307569734768008,0.4835643547392228
EOS-3-21896,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccnnc6)ncn5)n34)cn2)cc1,RZPYVPVWJNVFLF-UHFFFAOYSA-N,3,1,0.329,32,572,447.437,3.906,6,0.4,0.65,1.0,0.2688129668974025,0.3861284353368515,0.6375676787060517,0.659584675484888,0.4880234391062984
EOS-3-21897,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cncnc5)n34)cc2)cn1,HUCGLZGPAXIWCT-UHFFFAOYSA-N,3,1,0.308,42,171,447.437,3.906,6,0.4,0.65,1.0,0.2146014666575286,0.34797991912822973,0.5598142690699747,0.5734014118292098,0.42394926667123567
EOS-3-21898,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)cn4)n23)cn1,XPFIOHHKGUNKMB-UHFFFAOYSA-N,3,1,0.427,18,720,433.382,2.333,5,0.398,0.62,0.848,0.6734288259886231,0.6841374820094579,0.3061561921732575,0.29901137687615653,0.4906834692618738
EOS-3-21899,COc1cc(-c2nnc3cncc(OCc4cnc(F)s4)n23)ccc1-c1nccn1C,LPPBUDUHECWINA-UHFFFAOYSA-N,3,1,0.483,16,375,437.46,3.375,5,0.402,0.67,1.0,0.6767442258926736,0.5728359947913098,0.34677198272907955,0.22189191967651292,0.454561030772394
EOS-3-21900,Fc1ccc(-c2nnc3cncc(Oc4nnc(-c5nnco5)cc4F)n23)cc1Cl,PBPFHMVOPKBBAH-UHFFFAOYSA-N,3,1,0.464,22,706,428.746,3.355,5,0.424,0.63,0.998,0.8440391337125626,0.842068741004729,0.5733757110547598,0.6511548214652868,0.7276596018093345
EOS-3-21901,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)cc1,GUOQSUDNVKVQAO-UHFFFAOYSA-N,3,1,0.289,10,618,438.39,1.82,6,0.4,0.61,1.0,0.002021794256733603,0.07784764580906038,0.05871770269344116,0.12898362003975053,0.06689269069974642
EOS-3-21902,CCn1c(-c2ccc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)cn2)nc(C)c1C,PBGSWBBPYICHAE-UHFFFAOYSA-N,3,1,0.424,7,535,441.499,3.364,5,0.395,0.71,1.0,0.29053012130765543,0.15968747858268795,0.029564457542320607,0.012944623397985059,0.12318167020766227
EOS-3-21903,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c(F)c1,DVUZEVVDDOOBMG-UHFFFAOYSA-N,3,1,0.534,26,265,451.412,3.626,5,0.392,0.66,1.0,0.8810568158453841,0.7756922075251867,0.8588941813446646,0.8303063532314441,0.8364873894866698
EOS-3-21904,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5Cl)n4)n23)cc1,ATUMBOXKVBJMHN-UHFFFAOYSA-N,3,1,0.306,3,289,453.897,4.093,6,0.399,0.7,0.995,0.05971146597217463,0.2168888355835789,0.4605750119936947,0.5540315948187239,0.322801727092043
EOS-3-21905,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ncc[nH]5)cc4F)n23)cc1,VAORQGNACNIYAD-UHFFFAOYSA-N,3,1,0.295,3,498,453.416,3.979,6,0.43,0.66,0.921,0.2368840381056816,0.3284473305462271,0.6408659447604688,0.7380148721814818,0.4860530463984648
EOS-3-21906,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cn2)nc1,VWBYAMMRXXOXNO-UHFFFAOYSA-N,3,1,0.545,65,263,420.433,2.86,5,0.413,0.75,1.0,0.7551144541155507,0.7672966212048523,0.15919059694332122,0.16840004112123913,0.46250042834624083
EOS-3-21907,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5ccccc5F)[nH]4)n23)c1,XXUDXVPRRUHOSN-UHFFFAOYSA-N,3,1,0.333,3,192,453.416,3.979,6,0.43,0.66,0.961,0.27652319923240354,0.40061510520183674,0.5858919882119115,0.7165461585909122,0.494894112809266
EOS-3-21908,Cc1ccc(OCc2cncc3nnc(-c4cccnc4-c4ncc(C#N)cn4)n23)nn1,JSDWNZDIGXSQPV-UHFFFAOYSA-N,3,1,0.318,85,60,422.412,2.192,5,0.414,0.66,1.0,0.3412463162223288,0.3192807209923926,0.11160132958673155,0.09809128915084642,0.21755491398807483
EOS-3-21909,COCc1cnc(-c2c(F)ccnc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,LPCGVENOZWOMTO-UHFFFAOYSA-N,3,1,0.393,96,155,447.861,4.249,5,0.397,0.71,1.0,0.5066222328832842,0.754386265506134,0.6524055924885204,0.7192704406826126,0.6581711328901377
EOS-3-21910,c1cnnc(-c2noc(COc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)c1,AYNAHXVVCOASHV-UHFFFAOYSA-N,3,1,0.461,56,8,440.383,2.26,6,0.373,0.69,1.0,0.40237132478925364,0.3379823178671784,0.04943115619217326,0.05034781714755671,0.21003315399904054
EOS-3-21911,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)cc1,YMDMPEGQFLOCMU-UHFFFAOYSA-N,3,1,0.34,10,871,451.881,4.149,6,0.397,0.68,0.967,0.026360427660886847,0.20713967514221096,0.39556061956000277,0.5107257898704681,0.2849466280583922
EOS-3-21912,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cn5)n4)n23)cc1,RPJMQFTZXCWETB-UHFFFAOYSA-N,3,1,0.321,98,890,439.418,2.369,6,0.411,0.6,1.0,0.023053594681653074,0.1932098553903091,0.14996401891577,0.1956342951134261,0.14046544102528957
EOS-3-21914,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncnc(-c4ccccn4)n3)n12,TUFRMAKDDKNJMA-UHFFFAOYSA-N,3,1,0.457,24,839,430.859,3.579,5,0.416,0.67,0.998,0.7221660612706463,0.8281303543280104,0.25499451716811733,0.3055051058871907,0.5276990096634913
EOS-3-21915,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nn2)cc1,HASPASIQEJDRAR-UHFFFAOYSA-N,3,1,0.314,10,37,423.465,3.558,6,0.427,0.69,1.0,0.006408059762867521,0.034558974710437944,0.20171681173326023,0.25435199780686724,0.12425896100335823
EOS-3-21916,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)n1,YSXIGRWUXCZWOD-UHFFFAOYSA-N,3,1,0.5,75,496,432.875,3.257,5,0.406,0.68,1.0,0.4690477006373792,0.540153176615722,0.255003084092934,0.3086063326708245,0.39320257350421495
EOS-3-21917,Cc1ncc(-c2cncc(-c3nnc4cncc(COCc5nnc6ccccn56)n34)c2)cn1,NICSSGSUZUOWHP-UHFFFAOYSA-N,3,1,0.327,2,855,450.466,2.711,6,0.377,0.7,1.0,0.14526077719141936,0.11322047837708177,0.12878658076896718,0.13337845247070113,0.13016157220204236
EOS-3-21918,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cc(-c4cccnn4)no3)n12,ADNZMSXKSJLKPE-UHFFFAOYSA-N,3,1,0.517,34,389,423.795,3.608,5,0.422,0.73,1.0,0.8116304571311083,0.8782811322047838,0.5890017819203619,0.6567061887464876,0.7339048900006854
EOS-3-21920,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5F)c4)n23)cn1,NSRXXEOADKQFRZ-UHFFFAOYSA-N,3,1,0.595,11,595,430.418,4.148,5,0.377,0.75,1.0,0.9368788979507916,0.8613014872181481,0.8206685628126927,0.8183212254129257,0.8592925433486396
EOS-3-21921,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccccn5)ncn4)n23)cn1,DDHNVZOKQIWXEF-UHFFFAOYSA-N,3,1,0.293,76,368,432.451,3.106,6,0.418,0.64,1.0,0.07095127133164279,0.048223219793023096,0.22276574600781304,0.21039510657254473,0.1380838359262559
EOS-3-21922,Clc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n[nH]2)cn1,GRJIPHQBLLJCIU-UHFFFAOYSA-N,3,1,0.316,42,635,442.83,3.342,6,0.407,0.65,1.0,0.2146100335823453,0.3479884860530464,0.25855835789185116,0.33993557672537866,0.2902731135631554
EOS-3-21923,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ncnc(-c4ccc(Cl)nc4)n3)n12,WVVIQPDKGWDGEV-UHFFFAOYSA-N,3,1,0.364,29,704,451.277,4.021,5,0.378,0.72,0.998,0.5166027002947022,0.5357069426358714,0.5055513672812008,0.5858491535878281,0.5359275409499007
EOS-3-21924,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5nc(C)nn5C)cc4F)n23)cc1F,CRRZDDRSRJAEDB-UHFFFAOYSA-N,3,1,0.388,85,413,475.463,2.519,5,0.415,0.66,1.0,0.23689260503049825,0.2372524158727983,0.1983414433554931,0.16571002672880542,0.20954912274689877
EOS-3-21925,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccns5)n4)n23)cc1,MJFLAIQNIVUYSE-UHFFFAOYSA-N,3,1,0.316,98,866,440.456,1.957,6,0.4,0.62,1.0,0.10262319237886368,0.10370262490576383,0.022034130628469605,0.03331677061202111,0.06541917963127955
EOS-3-21926,Cc1nc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)ccc1F,WWCDGKKMPCDJIB-UHFFFAOYSA-N,3,1,0.462,54,873,428.431,3.107,5,0.406,0.65,1.0,0.6118840381056816,0.5083356178466177,0.39918442875745325,0.3626807621136317,0.47052121170584604
EOS-3-21927,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)c6)nn5)n34)cc2)n(C)n1,FZBOHZVBJYOZRS-UHFFFAOYSA-N,3,1,0.337,98,39,468.912,3.796,6,0.387,0.73,1.0,0.027568364060037008,0.17611884038105682,0.2263467205811802,0.31774724145020905,0.18694529161812076
EOS-3-21928,Cc1cc(C(F)(F)F)ncc1Cc1cncc2nnc(-c3ccc(C(=O)N4CCOCC4)cn3)n12,HMMXOMOLKUMZAU-UHFFFAOYSA-N,3,1,0.392,63,751,483.454,2.972,5,0.44,0.74,1.0,0.11830066479336578,0.10706942635871428,0.16540161743540538,0.19835001028030977,0.1472804297169488
EOS-3-21929,Cc1cnnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n1,MKKQHACXHJJDKS-UHFFFAOYSA-N,3,1,0.583,35,619,444.886,3.622,5,0.391,0.63,1.0,0.7159122061544788,0.7715115482146528,0.35813172503598106,0.3915255979713522,0.5592702693441163
EOS-3-21931,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)cn1,ZSWYXFBKWXOWFY-UHFFFAOYSA-N,3,1,0.597,35,300,429.871,3.918,5,0.378,0.69,1.0,0.8711106161332328,0.8550990336508807,0.5263432938112536,0.5344561716126379,0.6967522788020012
EOS-3-21932,CCn1cc(-c2nccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cn1,ZZVAJTZJMFGAHF-UHFFFAOYSA-N,3,1,0.468,92,69,449.425,3.376,5,0.372,0.71,1.0,0.35504763210198065,0.41463916112672194,0.38815879651840174,0.27497258584058665,0.35820454389692274
EOS-3-21933,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cn2)c1,BXRBPPAAQGFIGN-UHFFFAOYSA-N,3,1,0.274,70,887,431.423,2.557,6,0.41,0.62,0.997,0.15668048797203757,0.10707799328353095,0.21570659995887875,0.2307586868617641,0.17755594201905284
EOS-3-21934,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5cncc(F)c5)ccn4)n23)ccc1F,VJFNRDQPXYILJF-UHFFFAOYSA-N,3,1,0.414,18,367,445.433,3.851,5,0.392,0.71,1.0,0.709821122609828,0.5539630594201905,0.6255739839627168,0.6071722294565143,0.6241325988623123
EOS-3-21935,Fc1cncc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)nn2)c1,NTWHQQAOSFRPSQ-UHFFFAOYSA-N,3,1,0.265,86,892,437.402,2.425,6,0.409,0.61,0.993,0.008609759440751147,0.10037865807689672,0.19489753957919265,0.26914707696525253,0.14325825851552326
EOS-3-21936,Cc1ncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,PUYGJJIDPBZWMB-UHFFFAOYSA-N,3,1,0.422,13,110,433.834,4.537,5,0.411,0.71,1.0,0.667320608594339,0.6597131793571379,0.772976492358303,0.7713145089438695,0.7178311973134124
EOS-3-21937,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cc1,RNGFWQDFYCRFQX-UHFFFAOYSA-N,3,1,0.573,27,343,451.412,4.185,5,0.399,0.69,1.0,0.6520115139469536,0.6938438078267425,0.9473476800767596,0.8678123500788157,0.7902538379823179
EOS-3-21938,Cn1nncc1-c1cncc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,TZQRZNSCNFGWQN-UHFFFAOYSA-N,3,1,0.448,13,995,422.811,3.567,5,0.437,0.68,1.0,0.4133712562538551,0.5083441847714344,0.6661983414433555,0.7054005894044274,0.5733285929682681
EOS-3-21939,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3noc(-c4cnccn4)n3)n12,WRRJIABDVQATAK-UHFFFAOYSA-N,3,1,0.471,51,540,440.345,3.287,5,0.392,0.7,1.0,0.580177849359194,0.6645963265026387,0.6080117880885477,0.5921544102528956,0.611235093550819
EOS-3-21940,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C(F)F)nc(-c5ccccn5)c4F)n23)cc1,CLRCZDHLQDFXPW-UHFFFAOYSA-N,3,1,0.355,74,139,476.422,3.747,5,0.411,0.71,0.993,0.30625042834624083,0.3671526968679323,0.4498834898224933,0.35576725378658075,0.3697634672058118
EOS-3-21941,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1cnnn1C,WDILETIWJCAZFO-UHFFFAOYSA-N,3,1,0.473,36,940,450.409,2.848,5,0.364,0.69,1.0,0.42265780275512305,0.4720632581728463,0.5666335412240422,0.4576108560071277,0.4797413645397848
EOS-3-21942,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ncon6)c5)n34)cn2)cc1,QJUXJLZQYICJEG-UHFFFAOYSA-N,3,1,0.338,30,945,418.42,3.965,6,0.423,0.79,1.0,0.19535158659447605,0.11322904530189844,0.37331231581111646,0.4164039476389555,0.27457422383661156
EOS-3-21943,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)nc1,BZRHBAJTRXUDOX-UHFFFAOYSA-N,3,1,0.364,38,983,418.42,3.965,6,0.423,0.79,1.0,0.1620433829072716,0.13323281474881776,0.42448255774107324,0.41959084367075594,0.28483739976697964
EOS-3-21944,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)c(F)c1,XXGYISPCNDLUCP-UHFFFAOYSA-N,3,1,0.33,25,219,471.435,2.723,6,0.385,0.66,1.0,0.22287711603042973,0.31403776300459185,0.3282245905009938,0.39438695086011927,0.3148816050990336
EOS-3-21945,N#Cc1cccc(COc2cncc3nnc(-c4cc(-c5cncc(F)c5)n[nH]4)n23)c1F,ORNRHMGOYBPAJC-UHFFFAOYSA-N,3,1,0.4,16,963,430.378,3.305,5,0.454,0.65,1.0,0.6857223631005415,0.44582276745939275,0.8718559385922829,0.8580974573367144,0.7153746316222329
EOS-3-21946,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5cccc(Cl)c5)n34)n2)cc1,BDBNOYYSKNTYQU-UHFFFAOYSA-N,3,1,0.314,39,144,470.859,3.684,6,0.383,0.73,1.0,0.03111507093413748,0.19321842231512576,0.26932698238640257,0.49110753204029883,0.24619200191899115
EOS-3-21947,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ncn1,HUQDVGSNSOFHRK-UHFFFAOYSA-N,3,1,0.37,31,602,434.851,2.047,5,0.395,0.66,0.802,0.4457370982112261,0.3239582619422932,0.08932732506339525,0.10634980467411417,0.24134312247275716
EOS-3-21948,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cn1,DOQANOZYTULBHS-UHFFFAOYSA-N,3,1,0.522,11,525,447.861,4.057,5,0.362,0.74,1.0,0.8295952984716606,0.8832927832225345,0.6551298745802207,0.6801709958193407,0.7620472380234391
EOS-3-21949,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)n1,GCZBPCQZIFNHDN-UHFFFAOYSA-N,3,1,0.441,44,531,462.876,3.761,5,0.375,0.7,1.0,0.7494003152628332,0.7317781509149476,0.3506442327462134,0.43232986087314096,0.5660381399492838
EOS-3-21950,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)nc2)nn1,NQLGELMLVJVHKD-UHFFFAOYSA-N,3,1,0.293,30,301,463.892,4.421,6,0.378,0.76,0.713,0.1982643410321431,0.227511822356247,0.44989205674731,0.5574155301213076,0.3582709375642519
EOS-3-21951,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncn5C)c4)n23)n1,MIFDNVMWWKNWPZ-UHFFFAOYSA-N,3,1,0.489,26,125,430.447,3.051,5,0.408,0.67,1.0,0.7463419231032828,0.602177712288397,0.37714173120416694,0.3117418271537249,0.5093507984373928
EOS-3-21952,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4cc(-c5nccc(C)n5)ncn4)n23)cn1,HPOYSHFAFKKJGB-UHFFFAOYSA-N,3,1,0.248,86,812,459.477,3.174,6,0.387,0.64,1.0,0.04217497087245562,0.02619765608937016,0.08679151531766158,0.07397539579192652,0.05728488451785347
EOS-3-21953,CC(C)n1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nncn5C)no4)n23)cc1,SQDRWYSAJHFLFX-UHFFFAOYSA-N,3,1,0.279,98,882,453.47,3.081,6,0.386,0.67,1.0,0.07897847988486054,0.055685011308340755,0.0460129531903228,0.031192173257487493,0.0529671544102529
EOS-3-21954,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1,KDBFUXUQPSRXSP-UHFFFAOYSA-N,3,1,0.297,9,867,444.502,4.799,6,0.38,0.79,1.0,0.20102289082311015,0.08140291960797752,0.5330083613186211,0.48519635391679805,0.3251576314166267
EOS-3-21955,Cn1cnnc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c(F)c1,XNQHRTILTHJSMN-UHFFFAOYSA-N,3,1,0.404,67,789,466.44,3.37,6,0.376,0.72,1.0,0.6088513467205812,0.5635066136659584,0.2844733054622713,0.2543605647316839,0.4277979576451236
EOS-3-21956,Cc1cnccc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,NDEODJQSSQWIIM-UHFFFAOYSA-N,3,1,0.512,16,19,429.871,4.184,5,0.413,0.7,1.0,0.8344184771434446,0.7317867178397642,0.5598228359947913,0.5574240970461243,0.670863032006031
EOS-3-21957,Cc1ncnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1C,PQHSENQTLALJIN-UHFFFAOYSA-N,3,1,0.578,16,214,443.898,4.493,5,0.395,0.73,1.0,0.8440477006373792,0.8551076005756973,0.5630868343499418,0.5408642313755054,0.7007765917346309
EOS-3-21958,COCc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)nc1,CWOIVBYPQOFKNR-UHFFFAOYSA-N,3,1,0.57,97,850,448.483,4.174,5,0.369,0.77,1.0,0.6402234253992187,0.6841460489342746,0.6313652251387842,0.5239531217874032,0.6199219553149202
EOS-3-21959,COc1cc(-c2cncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,IZXXAPYXFAEPNY-UHFFFAOYSA-N,3,1,0.362,9,762,462.517,4.268,6,0.38,0.73,1.0,0.2504283462408334,0.016174354053868824,0.5699746419025427,0.42594750188472347,0.3156312110204921
EOS-3-21960,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5nccnc5-c5ccnnc5)n34)cc2)nn1,PISYPWNCQHDUCL-UHFFFAOYSA-N,3,1,0.312,38,63,464.88,3.816,6,0.383,0.69,1.0,0.3266482763347269,0.31928928791720923,0.3845092865465013,0.46703447330546227,0.37437033102597495
EOS-3-21961,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5sncc5Cl)n34)cn2)ncn1,NNTJDLPLWMLRJS-UHFFFAOYSA-N,3,1,0.456,55,283,436.888,3.641,5,0.411,0.74,1.0,0.5425090809403057,0.5930539373586458,0.22635528750599684,0.2511394010006168,0.4032644267013913
EOS-3-21962,c1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cncs6)n5)n34)cc2)ccn1,OJSUPOWWDUJBOS-UHFFFAOYSA-N,3,1,0.324,8,927,424.453,2.953,6,0.424,0.66,1.0,0.01063155369748475,0.08141148653279419,0.09156329244054554,0.15787129052155438,0.08536940579809471
EOS-3-21963,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)nc2)n(C)n1,MKFIWXONQSECNV-UHFFFAOYSA-N,3,1,0.313,98,882,449.482,2.753,6,0.403,0.61,1.0,0.06495442395997533,0.048231786717839766,0.07958673154684394,0.06827839078884243,0.06526283325337537
EOS-3-21964,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nc(C)cs5)ccn4)n23)nc1,QNDBTSBPZCBBMJ-UHFFFAOYSA-N,3,1,0.394,33,53,472.534,3.342,5,0.383,0.71,0.998,0.2608542937427181,0.1194914673428826,0.08178843122472758,0.03022411075320403,0.12308957576588307
EOS-3-21965,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cc2)n(C)n1,CAEAWIMLXDXRAY-UHFFFAOYSA-N,3,1,0.348,38,983,446.478,3.414,6,0.405,0.63,1.0,0.07288739634020971,0.048240353642656435,0.17527928174902338,0.16291720923857173,0.11483106024261532
EOS-3-21966,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)nn1,HACRSVCOPXPBDB-UHFFFAOYSA-N,3,1,0.506,75,183,416.832,3.271,5,0.43,0.73,1.0,0.4792509080940306,0.512764717976835,0.42051607155095605,0.4512627647179768,0.4659486155849496
EOS-3-21967,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(C#N)c4F)n23)cc1F,FBRBVQNGFFNHJK-UHFFFAOYSA-N,3,1,0.543,37,353,458.432,3.358,5,0.384,0.68,1.0,0.9170464670002056,0.8887413474059351,0.7166660955383456,0.6567147556713042,0.7947921664039477
EOS-3-21968,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccnn5C)cn4)n23)ccc1Cl,GEPIEBCHGGNECB-UHFFFAOYSA-N,3,1,0.547,4,67,447.886,3.828,5,0.39,0.71,1.0,0.48910287163319854,0.6597217462819547,0.6438215338222192,0.5310122678363375,0.5809146048934275
EOS-3-21969,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)nc5)n34)cn2)cc1,YSDWZRDZDIKOIQ-UHFFFAOYSA-N,3,1,0.333,30,945,428.459,4.372,6,0.411,0.73,1.0,0.10750633952436434,0.12983174559660066,0.5890103488451786,0.6071807963813309,0.3583823075868686
EOS-3-21970,FC(F)(F)c1ncc(-c2nnc3cncc(-c4ncc(Cc5ccc(Cl)nn5)cn4)n23)cn1,XAVAXIQJXMSJLN-UHFFFAOYSA-N,3,1,0.329,50,489,470.806,3.091,5,0.39,0.67,0.895,0.3434737166746625,0.4236858337331232,0.5766911109588102,0.4911160989651155,0.45874169008292787
EOS-3-21971,c1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)n2)nc1,DPAJFUIUCHNCMK-UHFFFAOYSA-N,3,1,0.457,40,355,459.473,3.679,6,0.368,0.69,1.0,0.4716006442327462,0.44583133438420947,0.31742169830717565,0.30861489959564115,0.38586714412994316
EOS-3-21972,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)nn1,QNOMIRFSRMEODU-UHFFFAOYSA-N,3,1,0.354,51,924,432.835,2.369,5,0.408,0.6,0.391,0.4618086491672949,0.4280635323144404,0.08680008224247825,0.10011308340758002,0.2691963367829484
EOS-3-21973,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)nc1,KTMBFRWIYRTETK-UHFFFAOYSA-N,3,1,0.312,32,902,447.437,3.906,6,0.4,0.64,1.0,0.28495305325200465,0.34325954355424576,0.3356178466177781,0.3915341648961689,0.3388411520800494
EOS-3-21974,Fc1cncc(COc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)c1Cl,XFSNWBYJSHAXSA-UHFFFAOYSA-N,3,1,0.453,2,491,434.822,3.41,5,0.414,0.63,1.0,0.7868463436364882,0.7224402028647796,0.6375762456308683,0.6567233225961209,0.7008965286820642
EOS-3-21975,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nn5)c4)n23)cc1F,QMOITQLFHUPSBL-UHFFFAOYSA-N,3,1,0.511,16,214,447.861,4.323,5,0.396,0.71,1.0,0.884877664313618,0.8351723665273113,0.8032691385100404,0.7875916660955383,0.827727708861627
EOS-3-21976,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ncc(F)cn5)n4)n23)cc1,SSOIJVNXAOGMMI-UHFFFAOYSA-N,3,1,0.318,94,507,455.392,2.564,6,0.394,0.62,0.91,0.04218353779727229,0.18437735590432458,0.18806113357549173,0.2990199438009732,0.17841049276951546
EOS-3-21977,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cc1F,PDBLHUVLOOHFGI-UHFFFAOYSA-N,3,1,0.274,10,507,455.392,2.564,6,0.394,0.62,0.893,0.03228873963402097,0.15207148242067028,0.2882684531560551,0.4067147556713042,0.21983585772051265
EOS-3-21978,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)o1,ZKYIDOKACXXFAP-UHFFFAOYSA-N,3,1,0.667,88,222,433.418,4.654,5,0.388,0.8,1.0,0.8902748269481187,0.7363700226166815,0.8529744362963471,0.8203430196696594,0.8249905763827017
EOS-3-21979,c1ccc(-c2ncsc2-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)cc1,FDIHAKCTVBKWQT-UHFFFAOYSA-N,3,1,0.301,64,365,434.488,4.434,6,0.405,0.76,1.0,0.05439140566102392,0.05184702899047358,0.18485710369405797,0.28096086628743744,0.14301410115824822
EOS-3-21980,Fc1cnc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)cc1Cl,VAEWAKJUYIWRQH-UHFFFAOYSA-N,3,1,0.469,87,838,448.849,3.452,5,0.389,0.65,1.0,0.7342454252621479,0.767305188129669,0.5859005551367281,0.622087245562333,0.6773846035227196
EOS-3-21981,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cc(-c4cccnc4)ncn3)n12,JFQXVPUSUKUBIY-UHFFFAOYSA-N,3,1,0.414,18,194,448.849,3.452,5,0.389,0.65,0.801,0.6734373929134397,0.6597303132067713,0.4814440408470975,0.5443852374751559,0.5897492461106162
EOS-3-21982,Clc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)s1,UPZRCODKLPOSSG-UHFFFAOYSA-N,3,1,0.531,65,142,436.888,3.375,5,0.399,0.69,1.0,0.5578438763621411,0.6256853539853334,0.21571516688369544,0.2511479679254335,0.4125980912891508
EOS-3-21983,COCc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cn1,CYMHQRPYNMFFKZ-UHFFFAOYSA-N,3,1,0.378,7,535,461.873,2.812,5,0.357,0.68,1.0,0.41794599410595573,0.4006236721266534,0.2227743129326297,0.19564286203824274,0.30924671030087036
EOS-3-21984,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)s1,XCIVPUPYUXIVSD-UHFFFAOYSA-N,3,1,0.412,18,367,450.915,3.683,5,0.386,0.71,1.0,0.47925947501884725,0.49942601603728326,0.1529453087519704,0.17640154890000687,0.3270080871770269
EOS-3-21985,CCn1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,MQMFXSRAMKLHTL-UHFFFAOYSA-N,3,1,0.56,36,258,433.863,3.092,5,0.402,0.66,1.0,0.5219056267562195,0.6841546158590912,0.11468542252073195,0.18485710369405797,0.3764006922075252
EOS-3-21986,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cc4)n23)cc1,GBSPHFXFRHINDT-UHFFFAOYSA-N,3,1,0.359,62,124,409.453,3.218,5,0.492,0.86,1.0,0.13976081145911864,0.059531560551024605,0.5230193269823864,0.384954766636968,0.2768166164073744
EOS-3-21987,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1F,KXOWCEQPBQNLEY-UHFFFAOYSA-N,3,1,0.5,26,639,449.877,4.001,5,0.364,0.73,1.0,0.8394729627852786,0.8050767596463574,0.6852511822356246,0.6972448769789596,0.7567614454115551
EOS-3-21988,Cc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)nc4)n23)n1,HXKZBPDXUQGIQG-UHFFFAOYSA-N,3,1,0.444,58,579,429.419,2.502,5,0.401,0.65,0.998,0.6734459598382565,0.727100609965047,0.12592522788020014,0.11574772119799877,0.4105548797203756
EOS-3-21989,CCOc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cn1,HUABCTTXIXRONR-UHFFFAOYSA-N,3,1,0.406,18,160,460.885,3.669,5,0.359,0.73,1.0,0.384980467411418,0.4635820026043451,0.3733208827359331,0.3020697690357069,0.38098828044685085
EOS-3-21991,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cc(F)ccc5F)n4C)n23)cn1,VCZVKAORVJRIBL-UHFFFAOYSA-N,3,1,0.318,8,765,471.435,2.722,6,0.385,0.68,0.969,0.1320505791241176,0.33799088479199507,0.1591991638681379,0.2601432389829347,0.22234596669179632
EOS-3-21992,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5F)n34)cc2F)o1,VWJDZANJIXPBKN-UHFFFAOYSA-N,3,1,0.551,37,563,436.382,2.839,5,0.37,0.69,1.0,0.8751370707970667,0.7363785895414982,0.36546501267904874,0.34632650263861287,0.5808267939140567
EOS-3-21993,OCc1cccc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1,KPADGHRPWOFYHG-UHFFFAOYSA-N,3,1,0.61,79,660,423.476,3.967,5,0.426,0.78,1.0,0.5774278664930437,0.467814063463779,0.7865722020423549,0.7353848262627647,0.6417997395654855
EOS-3-21994,Fc1ccc(CCOc2cncc3nnc(-c4cncnc4-c4ccc(Cl)cn4)n23)cn1,AHKXWPLFCZNQBR-UHFFFAOYSA-N,3,1,0.495,58,981,448.849,3.452,5,0.364,0.7,1.0,0.8462408333904462,0.8385734356795285,0.502038928106367,0.560448221506408,0.6868253546706874
EOS-3-21995,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cn1,WDSHKVKDSWXSQH-UHFFFAOYSA-N,3,1,0.308,42,725,437.492,3.772,6,0.414,0.67,1.0,0.08124014803646083,0.09421903913371256,0.25158488109108357,0.2632273319169351,0.172567850044548
EOS-3-21996,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nc1,XUURNUOTJYFPRG-UHFFFAOYSA-N,3,1,0.302,70,543,450.441,3.245,6,0.402,0.62,0.984,0.14270783359605235,0.22752038928106366,0.3428568980878624,0.41330272085532177,0.28159696045507504
EOS-3-21997,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)nc1,TUCJCWWNLXDPRA-UHFFFAOYSA-N,3,1,0.333,70,968,450.441,3.245,6,0.402,0.62,1.0,0.1397693783839353,0.25751319306421766,0.3807998081008841,0.3943955177849359,0.2931194743334932
EOS-3-21998,Cn1cc(-c2cc(C#N)cnc2COc2cncc3nnc(-c4ccc(Cl)cn4)n23)nn1,XVAITMCDDYRILC-UHFFFAOYSA-N,3,1,0.374,92,128,444.846,2.481,5,0.4,0.64,1.0,0.3365602083476115,0.47207182509766293,0.2952676307312727,0.35276883010074706,0.36416712356932357
EOS-3-21999,Fc1cnc(Cl)nc1COc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,BDILQRPUQRTZBT-UHFFFAOYSA-N,3,1,0.5,75,496,434.822,3.41,5,0.387,0.7,1.0,0.6915564389006922,0.7363871564663148,0.5020474950311836,0.5239616887122198,0.6134881947776025
EOS-3-22000,Fc1ccc(-c2cnccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,QAUQSBPGYQDXFD-UHFFFAOYSA-N,3,1,0.632,97,91,432.846,4.62,5,0.377,0.81,1.0,0.9760897128366801,0.9784627510108971,0.903236584195737,0.910535604139538,0.9420811630457131
EOS-3-22001,Cc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)cn2)cn1,GPSQAJIHCFESKD-UHFFFAOYSA-N,3,1,0.489,7,408,457.429,2.164,5,0.405,0.62,1.0,0.5219141936810363,0.36220958124871494,0.24784113494619972,0.16059557261325474,0.32314012062230146
EOS-3-22002,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)ncn2)cn1,JOVUQEHPDHYXPT-UHFFFAOYSA-N,3,1,0.523,4,10,420.383,2.839,5,0.431,0.7,1.0,0.5041378246864505,0.5728445617161264,0.6408745116852854,0.5951185662394627,0.5782438660818312
EOS-3-22003,Fc1ccc(-c2nnccc2-c2nnc3cncc(-c4ncn(-c5ccc(F)cn5)n4)n23)cc1,TTWUSEGABLIHGI-UHFFFAOYSA-N,3,1,0.31,10,118,454.404,3.169,6,0.399,0.62,1.0,0.03760879994517168,0.23726098279761496,0.3771502981289836,0.50064251936125,0.28816565005825506
EOS-3-22004,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccn4)n23)nn1,IFFOZRBWMGNWCI-UHFFFAOYSA-N,3,1,0.286,99,14,434.427,1.896,6,0.404,0.63,0.399,0.05795524638475773,0.008755397162634501,0.02204269755328627,0.030232677678020698,0.0297465046946748
EOS-3-22005,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4cnc(-c5ccccc5F)cn4)n23)o1,BTTKMECGAZTFRJ-UHFFFAOYSA-N,3,1,0.333,39,72,440.402,2.838,6,0.407,0.61,0.998,0.17285484202590637,0.2628846549242684,0.13162223288328423,0.2045438969227606,0.1929764066890549
EOS-3-22006,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5cn[nH]c5)n4)n23)c(Cl)c1,RGSQPVGXCVQNSD-UHFFFAOYSA-N,3,1,0.363,50,261,435.81,2.53,5,0.441,0.59,0.999,0.2010314577479268,0.28865396477280514,0.3619097388801316,0.4133112877801384,0.3162266122952505
EOS-3-22007,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)ccn1,KUIYJHLJXPBYET-UHFFFAOYSA-N,3,1,0.506,36,250,448.874,2.706,5,0.421,0.67,1.0,0.6458947296278528,0.6695137413474059,0.4677198272907957,0.4637533411006785,0.5617204098416833
EOS-3-22008,Cc1cc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4F)nc3)n12,QKWBMLDAEDZSNP-UHFFFAOYSA-N,3,1,0.292,3,192,467.443,4.287,6,0.412,0.71,1.0,0.2959272839421561,0.40517270920430404,0.7729850592831198,0.7830169282434377,0.5642754951682544
EOS-3-22009,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cc5)n34)nc2)cn1,BLBHLFPPSXVKGN-UHFFFAOYSA-N,3,1,0.321,38,714,448.465,4.455,6,0.37,0.77,1.0,0.13731923788636832,0.2941110958810225,0.77516962511137,0.7457251045164828,0.4880812658488109
EOS-3-22010,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1,JLXYAJKNECKLJE-UHFFFAOYSA-N,3,1,0.432,46,212,434.822,3.41,5,0.414,0.66,1.0,0.6429905421150024,0.6551812761291207,0.42449112466588995,0.5239702556370365,0.5616582996367624
EOS-3-22011,Clc1cnc(-c2ncncc2-c2nnc3cncc(-c4cccc(-c5cnccn5)c4)n23)nc1,GDSUIQFFYDXFSD-UHFFFAOYSA-N,3,1,0.288,94,459,464.88,3.816,6,0.383,0.7,1.0,0.27945308751970394,0.28866253169762185,0.30973716674662466,0.41331985470495514,0.32279316016722637
EOS-3-22012,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)nc2)nn1,MPXBCPWEAGIFTP-UHFFFAOYSA-N,3,1,0.263,70,813,435.455,2.444,6,0.414,0.61,0.987,0.025118223562470017,0.007984373929134397,0.11469398944554862,0.10012165033239669,0.061979559317387425
EOS-3-22013,c1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1,BTPLVIJFFOLPBP-UHFFFAOYSA-N,3,1,0.298,30,301,429.447,3.767,6,0.417,0.65,0.928,0.11555924885203207,0.04468507984373929,0.3097457336714413,0.39741964224521964,0.21685242615310807
EOS-3-22014,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)nc1,ZYUGBJVLPNMACK-UHFFFAOYSA-N,3,1,0.419,54,910,431.406,3.809,5,0.418,0.65,1.0,0.6520200808717703,0.5265746007813036,0.7707233911315194,0.7457336714412994,0.6737629360564732
EOS-3-22015,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NCCF)nc5)n34)c(Cl)c2)n1,IYEQDFRNTXGVJW-UHFFFAOYSA-N,3,1,0.341,61,336,476.903,3.607,5,0.401,0.73,1.0,0.17286340895072305,0.25262147899390036,0.36191830580494827,0.36268932903844836,0.287523130697005
EOS-3-22016,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncnc(-c5ccccc5F)n4)n23)cc1,WQMLDHHZLRIVPZ-UHFFFAOYSA-N,3,1,0.367,64,144,465.427,4.046,6,0.384,0.72,0.957,0.2794616544445206,0.3954663833870194,0.43164450688780753,0.5702916181207593,0.4192160407100267
EOS-3-22017,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)cn1,BHIFXGLSGMKISH-UHFFFAOYSA-N,3,1,0.321,42,723,447.462,3.977,6,0.395,0.72,0.999,0.11830923171818244,0.08142005345761086,0.19135083270509218,0.1657185936536221,0.1391996778836269
EOS-3-22019,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)c2)n(C)n1,PRIUPVVUYIDYMK-UHFFFAOYSA-N,3,1,0.586,15,563,429.459,3.656,5,0.41,0.7,1.0,0.652028647796587,0.6551898430539373,0.44635391679802616,0.38496333356178464,0.5346339353025839
EOS-3-22020,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)cc1,QMIHTWJYSYWWCO-UHFFFAOYSA-N,3,1,0.338,94,572,453.466,3.968,6,0.395,0.72,1.0,0.14271640052086904,0.2989085737783565,0.43931190459872527,0.5208261942293194,0.3504407682818176
EOS-3-22021,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)c2)n1,SJYKAIDGAVNQAW-UHFFFAOYSA-N,3,1,0.26,86,421,434.427,1.896,6,0.404,0.62,1.0,0.03761736686998835,0.02857926118840381,0.07756493729011034,0.08637173600164486,0.057533325337536835
EOS-3-22022,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)cn5)n34)cc2)n1,AMRBOVCKFSIAJC-UHFFFAOYSA-N,3,1,0.325,38,787,449.453,3.85,6,0.377,0.7,1.0,0.19274724145020902,0.2782108834212871,0.5230278939072031,0.5006510862860668,0.3736592762661915
EOS-3-22023,Fc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c1F,IJECZNLRELESBU-UHFFFAOYSA-N,3,1,0.469,2,265,432.394,2.938,5,0.403,0.64,1.0,0.7640668905489686,0.6990182304160099,0.6344407511479679,0.6193029949969159,0.6792072167774655
EOS-3-22024,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cnccn5)n34)nc2)nn1,LIEZBZHPYGOBLH-UHFFFAOYSA-N,3,1,0.269,86,790,433.439,2.501,6,0.412,0.62,0.998,0.03229730655883764,0.021520115139469536,0.1232951819614831,0.1289921869645672,0.07652619765608937
EOS-3-22025,Cn1cnnc1-c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)nc1,LDWCZMRUAKBQAT-UHFFFAOYSA-N,3,1,0.316,85,60,419.399,2.905,5,0.432,0.7,0.759,0.19000582550887535,0.22752895620588034,0.45368720444109384,0.38831300116510176,0.3148837468302378
EOS-3-22026,Cc1ncc(-c2cc(-c3nnc4cncc(CCc5ncc(Cl)cn5)n34)ccn2)s1,BYAABMOKUPVDMI-UHFFFAOYSA-N,3,1,0.375,85,580,434.916,3.847,5,0.414,0.7,1.0,0.29593585086697277,0.29411966280583923,0.09604379411966281,0.14241655815228565,0.2071289664861901
EOS-3-22027,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)n(C)n1,JVTVEJAJNODIIB-UHFFFAOYSA-N,3,1,0.324,86,790,447.466,2.809,6,0.401,0.62,1.0,0.07095983825645946,0.0482489205674731,0.07959529847166061,0.07398396271674319,0.0681970050030841
EOS-3-22028,CCOc1ccc(F)cc1-c1nnc2cncc(-c3nnc(-c4cccc(F)n4)n3C)n12,OSPPGNUUEGLZTK-UHFFFAOYSA-N,3,1,0.414,22,311,434.41,3.326,5,0.392,0.7,1.0,0.23119560002741416,0.35276026317593034,0.26218216708930164,0.3271280241244603,0.2933165136042766
EOS-3-22029,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccncc4)n23)cc1F,GZDLXHTUVFRNTQ-UHFFFAOYSA-N,3,1,0.28,64,449,449.453,3.85,6,0.403,0.67,0.993,0.2477126310739497,0.2168974025083956,0.5164998971969021,0.5408727983003221,0.3804956822698924
EOS-3-22030,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)nc2)n1,FZPAZLQEVYEHRS-UHFFFAOYSA-N,3,1,0.289,99,286,437.431,1.234,6,0.395,0.63,1.0,0.08318483996984442,0.04101843602220547,0.01677403879103557,0.0134929065862518,0.03861755534233431
EOS-3-22031,Cc1cnnc(-c2ccc(COc3cncc4nnc(-c5c(F)cc(F)cc5F)n34)cn2)n1,OZJYPTRUXNFGQP-UHFFFAOYSA-N,3,1,0.489,73,772,450.384,3.343,5,0.402,0.64,1.0,0.7840192584469878,0.792757521759989,0.637584812555685,0.6307655404016175,0.7112817832910698
EOS-3-22032,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(C)n2)n1,AHEOHNNAYJHFKP-UHFFFAOYSA-N,3,1,0.433,51,924,434.851,2.611,5,0.443,0.62,1.0,0.4990576382701665,0.5309437324378041,0.05872626961825783,0.05868343499417449,0.28685276883010075
EOS-3-22033,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2C)nn1,KGEPNELUVPTSKE-UHFFFAOYSA-N,3,1,0.443,53,477,431.435,2.446,5,0.403,0.67,0.996,0.39610033582345283,0.31404632992940856,0.12043382907271606,0.12035672674936605,0.23773430539373588
EOS-3-22034,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nn2)cc1,NJDCKNGFMBFUTA-UHFFFAOYSA-N,3,1,0.284,30,668,416.448,4.101,6,0.43,0.81,0.953,0.002604345144267014,0.013432938112535124,0.3991929956822699,0.4852049208416147,0.2251087999451717
EOS-3-22035,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccc(Cl)cc4)n23)cn1,RXDXCFHQADGNOF-UHFFFAOYSA-N,3,1,0.326,10,369,466.896,3.759,6,0.386,0.71,0.646,0.20375573983962716,0.26289322184908503,0.28448187238708794,0.3944040847097526,0.28638372969638815
EOS-3-22036,CCc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cnn(C)c1,CCMXLCHOHDUOKQ-UHFFFAOYSA-N,3,1,0.465,31,690,426.484,3.166,5,0.394,0.7,0.992,0.30103317113289013,0.1298403125214173,0.19835001028030977,0.1354602152011514,0.19117092728394214
EOS-3-22037,Cc1cc(CCOc2cncc3nnc(-c4cc(F)cc(-c5ccc(F)nn5)c4)n23)ccn1,WWVKZULBMDOWDA-UHFFFAOYSA-N,3,1,0.544,72,628,445.433,3.851,5,0.392,0.69,1.0,0.8116390240559249,0.745690836817216,0.7088530601055445,0.6626345007196217,0.7322043554245767
EOS-3-22039,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(F)nc5)n4)n23)cn1,UNHIIPNSFGKZNP-UHFFFAOYSA-N,3,1,0.315,86,812,451.429,2.64,6,0.372,0.65,0.87,0.18149030224110754,0.24778116647248305,0.18486567061887466,0.2104036734973614,0.20613520320745665
EOS-3-22040,COc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(C)nc5)n34)c(Cl)cn2)n1,FMRRPAZHZWNKND-UHFFFAOYSA-N,3,1,0.447,24,786,459.897,4.193,5,0.372,0.76,1.0,0.740148036460832,0.7586183263655678,0.5535175793297238,0.4383095743951751,0.6226483791378248
EOS-3-22041,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)nc1,NKOYVLPJTHPQLH-UHFFFAOYSA-N,3,1,0.372,32,572,465.908,4.364,6,0.381,0.76,1.0,0.13460352271948461,0.2477897333972997,0.4605835789185114,0.55064765951614,0.34840612363785894
EOS-3-22042,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)cn5)cnn4)n23)cn1,DEWUBXATZJCKGK-UHFFFAOYSA-N,3,1,0.414,92,205,454.454,1.68,5,0.402,0.62,1.0,0.3710335138098828,0.17161263792748954,0.07089130285792612,0.02647179768350353,0.1600023130697005
EOS-3-22043,FCc1nc(-c2ccncc2)cc(-c2cncc3nnc(-c4ccc(-c5ccno5)nc4)n23)n1,PHJAKCYCKXARAN-UHFFFAOYSA-N,3,1,0.306,42,723,451.425,3.83,6,0.385,0.7,0.99,0.1927558083750257,0.1559780001370708,0.2844904393119046,0.290024672743472,0.23081223014186827
EOS-3-22044,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)cc1,YKBFZALERFEPQV-UHFFFAOYSA-N,3,1,0.329,38,983,436.504,4.377,6,0.408,0.7,1.0,0.1206908368172161,0.1102306216160647,0.33927592351449526,0.3238554588444932,0.2235132101980673
EOS-3-22045,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cnn2)n1,VLOXBJDLLROJOH-UHFFFAOYSA-N,3,1,0.468,71,415,464.453,2.106,6,0.385,0.66,1.0,0.5664108011788088,0.36221814817353165,0.0844955794667946,0.069966074977726,0.27077265094921527
EOS-3-22046,COC(=O)c1cnc(COc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cn1,FVAZGPRDKAHAJA-UHFFFAOYSA-N,3,1,0.462,7,535,441.411,1.799,5,0.356,0.7,1.0,0.3088119388664245,0.1229782057432664,0.042800356384072376,0.020543485710369406,0.12378349667603317
EOS-3-22047,Fc1ccc(-n2cc(-c3nnc4cncc(-c5ccc(C(F)(F)F)nn5)n34)cn2)cc1F,SEPIIQWDYJMRCN-UHFFFAOYSA-N,3,1,0.333,22,844,444.327,3.731,5,0.394,0.68,0.874,0.028759166609553834,0.2732420670276198,0.9704526763073127,0.9514598039887602,0.5559784284833116
EOS-3-22048,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1,DSTUQTJXUZOTFJ-UHFFFAOYSA-N,3,1,0.289,98,63,422.412,2.699,6,0.421,0.65,1.0,0.06887807552600918,0.07095127133164279,0.21245973545336166,0.20127989856761017,0.13839224521965596
EOS-3-22049,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccoc5)nc4)n23)nc1,QCVUZXAJUKIWRH-UHFFFAOYSA-N,3,1,0.296,70,899,422.412,2.699,6,0.421,0.65,1.0,0.15668905489685422,0.08482968953464465,0.12330374888629977,0.15245699403742033,0.12931987183880475
EOS-3-22050,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnco5)n4)n23)cc1,AXOGCMHULBMMHP-UHFFFAOYSA-N,3,1,0.378,93,74,435.422,4.709,6,0.396,0.76,1.0,0.33417003632376124,0.4458399013090261,0.6716726064012062,0.7271091768898637,0.5446979302309642
EOS-3-22051,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5nn[nH]n5)cn4)n23)cc1F,ATRHPMBYAMXDAL-UHFFFAOYSA-N,3,1,0.464,36,6,464.396,1.583,5,0.382,0.71,1.0,0.5476663696799396,0.42369440065793984,0.3210626413542595,0.2664484956480022,0.3897179768350353
EOS-3-22052,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cc1,CIXDALQMDRYGTL-UHFFFAOYSA-N,3,1,0.266,30,748,419.412,2.286,6,0.423,0.69,0.928,0.00312692755808375,0.007307586868617641,0.026163388390103487,0.0682869577136591,0.026221215132615994
EOS-3-22053,Fc1cc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)ccc1-c1nc[nH]n1,GLTJZISPEVKMHF-UHFFFAOYSA-N,3,1,0.34,47,81,422.374,3.639,5,0.465,0.66,1.0,0.3619868412034816,0.5040093208142006,0.8529830032211637,0.8322853128640944,0.637816119525735
EOS-3-22054,CCc1nc(-c2cccc(C)n2)ccc1-c1nnc2cncc(-c3cnc(OC)nc3)n12,WNDFYUGIIGBEFW-UHFFFAOYSA-N,3,1,0.289,82,974,424.468,3.585,5,0.422,0.71,1.0,0.2688215338222192,0.10708656020834761,0.11160989651154822,0.06020834761154136,0.1369315845384141
EOS-3-22055,Cn1cnc(-c2cccc(-c3nnc4cncc(Oc5cnccc5F)n34)c2)cc1=O,IPBWUSFDNSRZKK-UHFFFAOYSA-N,3,1,0.415,13,374,415.388,2.878,5,0.445,0.76,1.0,0.4990662051949832,0.47672366527311355,0.5666421081488588,0.5208347611541361,0.5158166849427729
EOS-3-22056,CCn1c(-c2cnn(C)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,VONWFHYCIZLBDM-UHFFFAOYSA-N,3,1,0.311,8,882,452.486,2.266,6,0.39,0.65,1.0,0.029787197587553972,0.01771640052086903,0.016037283256802138,0.016208621753135494,0.019937375779590157
EOS-3-22057,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)n1,SZRVOPWWTRKPHO-UHFFFAOYSA-N,3,1,0.553,7,420,431.847,2.974,5,0.413,0.63,1.0,0.43629634706325815,0.5265831677061202,0.2157237338085121,0.2543691316565006,0.3582430950585978
EOS-3-22058,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)cn1,ANLCXTPPUYNCDD-UHFFFAOYSA-N,3,1,0.338,69,174,431.459,4.879,6,0.393,0.82,1.0,0.15920773079295455,0.11323761222671509,0.6610924542526215,0.6071893633061476,0.3851817901446097
EOS-3-22059,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ncc(F)cn4)n23)c(F)c1,NVFWGEYTRMJSQZ-UHFFFAOYSA-N,3,1,0.276,39,495,470.407,2.174,6,0.377,0.67,1.0,0.15669762182167088,0.26290178877390175,0.09605236104447948,0.17641011582482352,0.1730154718662189
EOS-3-22060,OCc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)c1,JIWAIFNJDWNDDY-UHFFFAOYSA-N,3,1,0.517,44,488,463.86,3.507,5,0.407,0.72,0.875,0.795310465355356,0.6793228702624906,0.8335446508121445,0.8165307381262422,0.7811771811390583
EOS-3-22061,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(C#N)cn5)c4)n23)nn1,WSMPWBCSPYHRNU-UHFFFAOYSA-N,3,1,0.426,53,587,439.414,2.937,5,0.406,0.64,1.0,0.7433692001918991,0.655198409978754,0.5263518607360702,0.48209512713316427,0.6017536495099719
EOS-3-22062,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ncc(F)cn5)cn4)n23)cc1,NVIRURIJOFJXHN-UHFFFAOYSA-N,3,1,0.464,51,943,483.467,2.649,6,0.371,0.85,1.0,0.5831334384209444,0.28341100678500447,0.0938078267425125,0.10435371119183058,0.266176495785073
EOS-3-22063,Cc1cc(Cl)nc(COc2cncc3nnc(-c4cncc(-c5cncn5C)c4)n23)n1,MXHATCVHGLIJKY-UHFFFAOYSA-N,3,1,0.389,7,905,433.863,2.918,5,0.389,0.69,1.0,0.44574566513604275,0.4192310328284559,0.22278287985744638,0.20455246384757728,0.3230780104173806
EOS-3-22064,Cc1cc(-c2nnc3cncc(Cc4cc(-c5cncnc5C)ncc4F)n23)cc(C)n1,FYAWQXYDONJTRH-UHFFFAOYSA-N,3,1,0.32,85,290,426.459,3.693,5,0.432,0.65,0.996,0.3460095264203961,0.2629103556987184,0.4393204715235419,0.3430796381330957,0.347829997943938
EOS-3-22065,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5ccccc5Cl)n34)c2)cn1,XDHILTBEGNQYEX-UHFFFAOYSA-N,3,1,0.412,14,18,428.883,4.789,5,0.4,0.79,1.0,0.5041463916112672,0.5219570283051196,0.7545233363032006,0.7457422383661161,0.6315922486464258
EOS-3-22066,Cc1cnnc(COc2cncc3nnc(-c4ccnc(-c5ccc(C#N)cc5)c4)n23)c1,MNTVOYDKANBEMX-UHFFFAOYSA-N,3,1,0.494,89,731,420.436,3.402,5,0.425,0.72,1.0,0.5860975944075115,0.5591717497087245,0.5699832088273593,0.5239788225618532,0.5598078438763622
EOS-3-22067,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)ccc5-c5cncnc5)n34)nc2)n1,WSWLLAFEGSTLLE-UHFFFAOYSA-N,3,1,0.318,94,968,467.884,3.154,6,0.384,0.68,0.998,0.14829346857651976,0.2886710986224385,0.2621907340141183,0.3527773970255637,0.2629831745596601
EOS-3-22068,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ncc(Cl)cn4)n23)cc1,AIXJHQWWFSGYJP-UHFFFAOYSA-N,3,1,0.287,25,213,467.884,3.154,6,0.384,0.68,1.0,0.18701596874785828,0.23726954972243164,0.11470255637036529,0.20128846549242685,0.18506913508327053
EOS-3-22069,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)cn2)no1,KENQYOVKLJTKBG-UHFFFAOYSA-N,3,1,0.325,70,191,423.396,3.262,6,0.416,0.7,1.0,0.1754334863957234,0.15208004934548694,0.1259337948050168,0.1269446919333836,0.14509800561990266
EOS-3-22070,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)n1,XCSUBESBWDRZQD-UHFFFAOYSA-N,3,1,0.529,24,786,429.871,4.184,5,0.413,0.71,0.999,0.5890960180933452,0.7085960523610445,0.5263604276608869,0.5074103899664176,0.5828657220204235
EOS-3-22071,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)c1,DNELWMMPFLHEKH-UHFFFAOYSA-N,3,1,0.539,11,384,446.873,4.662,5,0.353,0.82,1.0,0.8010160372832568,0.8420773079295456,0.8206771297375094,0.858106024261531,0.8304691248029608
EOS-3-22072,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1,PGTHYRKRTLVXEF-UHFFFAOYSA-N,3,1,0.286,86,812,421.428,2.434,6,0.46,0.64,1.0,0.14830203550133644,0.09723459666917963,0.12331231581111644,0.11575628812281544,0.12115130902611199
EOS-3-22073,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)cc1,ZHBMMHGBOMWIPV-UHFFFAOYSA-N,3,1,0.342,9,508,451.469,3.793,6,0.405,0.64,1.0,0.23120416695223084,0.2680933452128024,0.5499623055308067,0.5208433280789527,0.3925257864436982
EOS-3-22074,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cc(F)cc(F)c6)n5)n34)cc2)n1,QXMCCQSAHSTEDC-UHFFFAOYSA-N,3,1,0.325,3,783,455.432,3.718,6,0.402,0.65,1.0,0.06678774587074224,0.26291892262353506,0.6138801315879652,0.6425793297238024,0.39654153245151125
EOS-3-22075,Cn1nccc1-c1ccccc1COc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,OKUMMDLZFZYXDY-UHFFFAOYSA-N,3,1,0.512,67,755,463.505,3.566,6,0.372,0.74,1.0,0.46440442738674526,0.227537523130697,0.3581402919607978,0.2867435405386882,0.33420644575423203
EOS-3-22076,Cc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ncccc5C)c4)n23)n1,AFNWKXWSARRULZ-UHFFFAOYSA-N,3,1,0.494,75,583,424.468,3.277,5,0.409,0.71,1.0,0.4891114385580152,0.3039459255705572,0.10632410389966418,0.0776848742375437,0.24426658556644507
EOS-3-22077,CC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)c(F)c4)n23)cc1F,IYQJGJJPOYKYKO-UHFFFAOYSA-N,3,1,0.34,61,648,429.39,3.791,5,0.401,0.68,1.0,0.33882187649921186,0.33307346994722775,0.7994654238914399,0.7637927489548352,0.5587883798231786
EOS-3-22078,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(CO)cc5F)c4)n23)cc1,GNHAILGTNUCYJK-UHFFFAOYSA-N,3,1,0.541,1,230,441.466,4.372,5,0.421,0.75,1.0,0.952727708861627,0.812795558906175,0.9169950654513056,0.8711191830580495,0.8884093790692893
EOS-3-22079,COc1nc(-c2nn[nH]n2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,BYHABXWWRZGZEU-UHFFFAOYSA-N,3,1,0.319,74,295,472.444,2.073,6,0.379,0.77,1.0,0.3341786032485779,0.3192978548420259,0.07089986978274279,0.08818792406277842,0.20314106298403126
EOS-3-22080,Cn1nc(-c2ccncc2)nc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nc4)nc3)n12,UCYVBQNDYATBFW-UHFFFAOYSA-N,3,1,0.359,42,723,450.441,3.245,6,0.376,0.67,0.883,0.13461208964430127,0.252630045918717,0.23714104585018161,0.28096943321225415,0.2263381536563635
EOS-3-22081,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cc(F)ccc4F)n23)cn1,PJFQWGNAMBEMIN-UHFFFAOYSA-N,3,1,0.295,39,972,469.419,2.779,6,0.383,0.66,0.998,0.1539048043314372,0.24270098005619903,0.2192875745322459,0.34308820505791243,0.23974539099444864
EOS-3-22082,Fc1c(Cl)ccnc1COc1cncc2nnc(-c3cc(-c4ccccn4)cnn3)n12,LLFWZZFLWRTWEU-UHFFFAOYSA-N,3,1,0.446,54,873,434.822,3.41,5,0.414,0.62,0.999,0.5398276334726887,0.5401617435405387,0.5263689945857035,0.5979113837296964,0.5510674388321568
EOS-3-22083,Fc1cccc(-c2cncc(-c3nnc4cncc(NCCc5ccc(Cl)nc5)n34)c2)c1,TYBAODLWYCCTJX-UHFFFAOYSA-N,3,1,0.433,14,137,445.889,4.695,5,0.382,0.82,1.0,0.008001507778767734,0.006690768281817559,0.7587639640874512,0.7945994105955726,0.39201391268590224
EOS-3-22084,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ncc1-c1ncccn1,MOURCNDXCMPFTG-UHFFFAOYSA-N,3,1,0.421,65,116,427.428,2.063,5,0.381,0.65,0.997,0.4433983277362758,0.14432698238640257,0.07960386539647728,0.04767493660475636,0.17875102803097798
EOS-3-22085,COc1ncc(-c2nnc3cncc(OCCc4ncccc4C)n23)cc1-c1cccnc1,VTIKJGODUGYSSO-UHFFFAOYSA-N,3,1,0.511,35,657,439.479,3.582,5,0.379,0.73,1.0,0.4386522513878418,0.4192395997532726,0.2693355493112192,0.1710386539647728,0.32456651360427663
EOS-3-22086,Cc1nc(-c2ncc(Cl)c(C)n2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,QYYBOPVIQGOTDC-UHFFFAOYSA-N,3,1,0.446,18,851,459.901,3.325,5,0.376,0.68,1.0,0.5891045850181619,0.5083527516962512,0.10913405523953122,0.12036529367418272,0.3317391714070318
EOS-3-22087,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)nn1,NSRKITSSTBEVLQ-UHFFFAOYSA-N,3,1,0.448,51,946,451.372,3.089,5,0.384,0.65,0.984,0.6887636214104585,0.7965098348296895,0.6170670276197656,0.527388458638887,0.6574322356247002
EOS-3-22088,CC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(C)nn5)c4)n23)cc1,MCQLQVBHNAECSO-UHFFFAOYSA-N,3,1,0.585,89,656,438.451,3.128,5,0.368,0.71,1.0,0.521922760605853,0.21690596943321225,0.24086765814543212,0.13132239051470085,0.2777546946747995
EOS-3-22089,COc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)s1,VJNJPEAZBDXCOJ-UHFFFAOYSA-N,3,1,0.612,43,389,451.899,3.946,5,0.382,0.72,1.0,0.8166506750736755,0.8455126447810294,0.28075526009183743,0.30207833596052364,0.5612492289767665
EOS-3-22090,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)nc1,IZSHNJKUNXSLAB-UHFFFAOYSA-N,3,1,0.4,46,128,441.842,3.142,5,0.404,0.61,1.0,0.571927900760743,0.7224487697895964,0.5055599342060174,0.5310208347611541,0.5827393598793777
EOS-3-22092,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cn(C)nn5)cn4)n23)c(F)c1,LQMXOXGVYUYULT-UHFFFAOYSA-N,3,1,0.431,92,408,460.433,1.454,5,0.399,0.64,1.0,0.36656157905558223,0.3379994517168117,0.14083167706120212,0.08124014803646083,0.23165821396751424
EOS-3-22093,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6F)nn5)n34)nc2)n1,ZXHHNEFETAMIFT-UHFFFAOYSA-N,3,1,0.248,70,37,451.429,2.734,6,0.372,0.66,1.0,0.003443903776300459,0.08142862038242753,0.19490610650400933,0.2012970324172435,0.12026891576999521
EOS-3-22094,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cnc(C(F)(F)F)cn4)n23)nc1,BOICYIWPQKKGNA-UHFFFAOYSA-N,3,1,0.494,68,127,453.331,3.218,4,0.394,0.64,0.999,0.7191590706599958,0.7627475841272017,0.9426358714275923,0.8546021520115139,0.8197861695565759
EOS-3-22095,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)cn1,MBNHHRJLGXVBDM-UHFFFAOYSA-N,3,1,0.568,88,742,448.408,4.287,5,0.386,0.71,1.0,0.9143992872318553,0.9406140771708588,0.9065262833253376,0.8947638955520526,0.9140758858200261
EOS-3-22096,Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)nc(-c2cncn2C)n1,QRXDVJGSSQBQOC-UHFFFAOYSA-N,3,1,0.379,31,587,434.851,2.313,5,0.41,0.63,0.942,0.2822287711603043,0.2629274895483517,0.06072236310054143,0.06644506887807552,0.16808092317181825
EOS-3-22097,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(OCC(F)F)cn5)n34)cc2)cn1,TXWSAAYTKPXXGH-UHFFFAOYSA-N,3,1,0.36,96,856,461.432,3.963,5,0.359,0.74,1.0,0.6314251936125008,0.607077993283531,0.7374580220683983,0.6134517853471317,0.6473532485778904
EOS-3-22098,Cc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,HYUZXPQETVDZIE-UHFFFAOYSA-N,3,1,0.433,89,943,479.504,2.818,6,0.374,0.8,1.0,0.3895295044890686,0.12984887944623397,0.06882667397710918,0.06021691453635803,0.16210549311219244
EOS-3-22099,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cc1C,WFLWXMNLTSPDPI-UHFFFAOYSA-N,3,1,0.34,74,333,412.417,1.497,5,0.47,0.79,1.0,0.006416626687684189,0.009380782674251251,0.07757350421492701,0.042474813241038994,0.03396143170447536
EOS-3-22100,CCOC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(F)c(F)c5)n4)n23)nc1,GRJFRUCMUYQMPF-UHFFFAOYSA-N,3,1,0.327,22,844,460.404,3.16,5,0.364,0.72,0.957,0.3827445000342677,0.3768076211363169,0.4027825371804537,0.38188780755260093,0.3860556164759098
EOS-3-22101,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)c(F)c2)n1,AFRXWFOIZQCHFQ-UHFFFAOYSA-N,3,1,0.333,64,27,468.431,3.384,6,0.387,0.67,1.0,0.1647847988486053,0.27325063395243643,0.3693286957713659,0.48521348776643136,0.32314440408470974
EOS-3-22102,CCOc1cc(F)ccc1-c1nnc2cncc(-c3cccc(-c4cnnc(F)c4)n3)n12,VJWLWFMCESITGD-UHFFFAOYSA-N,3,1,0.4,96,140,431.406,3.987,5,0.416,0.67,1.0,0.4410338564868755,0.5309522993626208,0.6908111164416421,0.6682801041738058,0.582769344116236
EOS-3-22103,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5F)n34)cc2)n1,NDQRSJJCOOBMMH-UHFFFAOYSA-N,3,1,0.321,98,890,453.445,2.583,6,0.374,0.66,1.0,0.190014392433692,0.2732592008772531,0.15920773079295455,0.16292577616338838,0.196351775066822
EOS-3-22104,Cn1ccnc1-c1ccc(OCc2cncc3nnc(-c4ccc(Cl)cc4F)n23)nc1,XTASQPZPAFGQIX-UHFFFAOYSA-N,3,1,0.413,14,351,435.85,3.958,5,0.415,0.68,1.0,0.534893084778288,0.7039356452607772,0.6688283873620725,0.6682886710986224,0.64398644712494
EOS-3-22105,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(F)c1,PDTQJEWCLKLIHR-UHFFFAOYSA-N,3,1,0.522,37,589,449.877,4.001,5,0.389,0.69,1.0,0.8532742786649304,0.8519207045438969,0.6255825508875335,0.6482420670276198,0.7447549002809951
EOS-3-22106,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)c1Cl,JFMQSSQAHGIMEL-UHFFFAOYSA-N,3,1,0.506,16,606,437.822,3.916,5,0.407,0.71,1.0,0.8090432458364746,0.7627561510520183,0.6746881639366733,0.6653930505105887,0.7279701528339386
EOS-3-22107,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnn5)nc4)n23)nc1,FRXSGTHLRIXTIA-UHFFFAOYSA-N,3,1,0.298,99,968,434.427,1.896,6,0.404,0.61,1.0,0.03230587348365431,0.03137207867863752,0.12044239599753273,0.12258412720169967,0.07667611884038106
EOS-3-22108,CCc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)cnn2)sn1,KRIONBKNSJARSK-UHFFFAOYSA-N,3,1,0.523,92,778,441.48,3.113,5,0.39,0.67,0.984,0.37577959015831675,0.38152799671030085,0.19835857720512645,0.17104722088958949,0.2816783462408334
EOS-3-22109,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)nn1,QFKDOXAAIWMLRV-UHFFFAOYSA-N,3,1,0.633,4,712,448.849,3.718,5,0.4,0.63,1.0,0.49156157905558223,0.6168442875745322,0.519652525529436,0.5669676512918923,0.5487565108628607
EOS-3-22110,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)ccn1,YRYVYMMFAUXAKS-UHFFFAOYSA-N,3,1,0.429,33,760,436.386,2.288,5,0.394,0.65,1.0,0.43385477349050783,0.2834195737098211,0.3174302652319923,0.3020869028853403,0.3341978788294154
EOS-3-22111,Cn1c(F)nnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1,VANNRAPCCSAONQ-UHFFFAOYSA-N,3,1,0.525,36,250,436.838,3.353,5,0.39,0.71,1.0,0.7098296895346446,0.7927660886848057,0.4814526077719142,0.5074189568912343,0.6228668357206497
EOS-3-22112,Fc1cc(COc2cncc3nnc(-c4cc(-c5cnco5)ccn4)n23)ccc1Cl,MEZDFSNHZWGRIV-UHFFFAOYSA-N,3,1,0.597,59,153,422.807,4.213,5,0.419,0.74,1.0,0.8193406894661093,0.659738880131588,0.84977897333973,0.8512867521074635,0.7950363237612227
EOS-3-22113,N#Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(C#N)nc5)n34)c2)nc1,ATQRSUAYONRHHG-UHFFFAOYSA-N,3,1,0.44,53,873,446.434,2.403,5,0.38,0.65,0.905,0.7070454389692276,0.4458484682338428,0.4814611746967309,0.44488040572955934,0.5198088719073402
EOS-3-22114,CCn1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cn2)c1C,BMZDRSPXHDJHSI-UHFFFAOYSA-N,3,1,0.5,16,16,447.449,4.235,5,0.387,0.77,1.0,0.42502227400452336,0.4720803920224796,0.5859091220615448,0.5506562264409568,0.5084170036323761
EOS-3-22115,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,SXVCIESHLKBDQR-UHFFFAOYSA-N,3,1,0.571,97,300,415.844,3.876,5,0.43,0.77,1.0,0.9115379343430882,0.7965184017545062,0.6200054828318826,0.6220958124871496,0.7375394078541566
EOS-3-22116,Cc1nsc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(Cl)c4)n23)n1,CRCMQBYNFIYGFQ-UHFFFAOYSA-N,3,1,0.477,7,677,438.904,3.584,5,0.413,0.66,1.0,0.3981735316290864,0.48524775546569804,0.18153313686519087,0.2278287985744637,0.3231958056336097
EOS-3-22117,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cn1,VWTVGQDYXOPNAN-UHFFFAOYSA-N,3,1,0.3,25,213,422.412,2.699,6,0.421,0.64,1.0,0.11831779864299911,0.08483825645946132,0.13466349119320128,0.16293434308820506,0.1251884723459667
EOS-3-22118,Cn1nc(Cc2ccc(Cl)nn2)nc1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,JAURETIIGNUKER-UHFFFAOYSA-N,3,1,0.352,50,974,447.85,1.115,5,0.417,0.58,0.949,0.09993317798642999,0.18034233431567404,0.009363648824617914,0.009791995065451305,0.07485778904804331
EOS-3-22119,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nn2)n(C)n1,XERUHHXSCGFGFS-UHFFFAOYSA-N,3,1,0.338,98,882,450.47,2.148,6,0.396,0.61,1.0,0.08544650812144472,0.028587828113220477,0.02205126447810294,0.018555959152902476,0.03866038996641765
EOS-3-22120,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)nn2)n1C,IRZFMSNCHSHHOZ-UHFFFAOYSA-N,3,1,0.287,99,286,450.47,2.148,6,0.396,0.61,0.763,0.07289596326502638,0.034567541635254606,0.026171955314920156,0.02134877664313618,0.03874605921458433
EOS-3-22121,Cc1cnc(CCOc2cncc3nnc(-c4cc(-c5ncc(F)cn5)cnn4)n23)cn1,DBCPDDCWUBMYFW-UHFFFAOYSA-N,3,1,0.39,65,65,430.407,1.897,5,0.394,0.63,1.0,0.5949300938934959,0.5127732849016517,0.06883524090192585,0.06829552463847577,0.3112085360838873
EOS-3-22122,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cccc(C(F)(F)F)n5)n34)c2)nn1,WQRRSWVZSUMKEF-UHFFFAOYSA-N,3,1,0.489,27,506,464.411,3.945,5,0.385,0.71,1.0,0.6146168871221986,0.6552069769035707,0.8384620656569118,0.6682972380234391,0.69414579192653
EOS-3-22123,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)ccn1,DBHLGDUVZVIKNZ-UHFFFAOYSA-N,3,1,0.484,75,132,444.886,3.622,5,0.391,0.65,1.0,0.6826040024672744,0.6793314371873073,0.33562641354259476,0.3399441436501953,0.5093764992118429
EOS-3-22125,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)ccc1-c1cnccn1,NREVWXABXVJFAA-UHFFFAOYSA-N,3,1,0.346,9,50,447.437,3.906,6,0.4,0.63,1.0,0.36884894798163254,0.4006322390514701,0.6934325954355425,0.7054091563292441,0.5420807346994723
EOS-3-22126,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,MJQJTBNZXYRAEG-UHFFFAOYSA-N,3,1,0.323,32,392,431.463,3.711,6,0.419,0.64,1.0,0.13462065656911795,0.037403193749571656,0.2807638270166541,0.2809780001370708,0.18344141936810363
EOS-3-22127,FC(F)Oc1cccnc1CCc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,NNJYJMPHRDSKGL-UHFFFAOYSA-N,3,1,0.519,14,886,445.433,4.03,5,0.374,0.74,1.0,0.8010246042080734,0.7715201151394695,0.6908196833664588,0.6482506339524364,0.7279037591666095
EOS-3-22128,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccn1,FQXJBCPQPGOGNC-UHFFFAOYSA-N,3,1,0.444,31,624,447.89,3.135,5,0.374,0.69,1.0,0.42503084092934,0.4051812761291207,0.15295387567678706,0.16294291001302172,0.28652722568706734
EOS-3-22129,COCCNC(=O)c1ccc(-c2nnc3cncc(Cn4ccnc4-c4ccc(C)nn4)n23)cc1,UZXNIUFYUJIXNS-UHFFFAOYSA-N,3,1,0.342,52,916,469.509,2.178,5,0.343,0.76,1.0,0.09281406346377905,0.010374545952984716,0.05317490233705709,0.024664176547186622,0.045256922075251865
EOS-3-22130,Cc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cncn1C,IFVOZRSXNMGSLC-UHFFFAOYSA-N,3,1,0.435,46,910,433.422,3.752,5,0.42,0.65,0.766,0.6229439380439997,0.5127818518264684,0.7297649235830307,0.6683058049482558,0.6334491296004386
EOS-3-22131,Fc1ccnc(-c2ccc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)nc2)c1,MVMCQBPJQGVDIF-UHFFFAOYSA-N,3,1,0.548,2,434,434.822,3.41,5,0.387,0.67,1.0,0.6402319923240354,0.7798728668357207,0.5890189157699952,0.6071979302309642,0.6540804262901789
EOS-3-22132,CCc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC(C)(C)CF)cn4)n23)nc(C(F)F)n1,FKNBBFWMAFLXHN-UHFFFAOYSA-N,3,1,0.288,63,108,471.447,3.016,4,0.436,0.7,0.408,0.170104859159756,0.17162120485230623,0.1012096497841135,0.03544136796655473,0.11959427044068262
EOS-3-22133,Clc1ccc(-c2noc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)cn1,VRDQBHFWJLPCRQ-UHFFFAOYSA-N,3,1,0.329,94,515,453.853,4.014,6,0.364,0.76,0.714,0.2715800836131862,0.3380080186416284,0.24784970187101638,0.3818963744774176,0.30983354465081214
EOS-3-22134,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ocnc4-c4cc(F)ccn4)n23)cc1,NCPTXNPBQCEOMC-UHFFFAOYSA-N,3,1,0.338,38,725,439.414,3.443,6,0.411,0.64,1.0,0.24226406689054897,0.2941282297306559,0.30616475909807417,0.339952710575012,0.2956274415735728
EOS-3-22135,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccc2F)nn1,DTZGEJDVIYXTBT-UHFFFAOYSA-N,3,1,0.489,4,606,445.433,4.117,5,0.402,0.67,1.0,0.7754694674799534,0.7086046192858612,0.7499143307518333,0.6741484476732232,0.7270342162977178
EOS-3-22136,CCc1csc(COc2cncc3nnc(-c4cccc(-c5cc(C)ncn5)c4)n23)n1,OVQZYJWFARQMJH-UHFFFAOYSA-N,3,1,0.478,4,506,429.509,4.155,5,0.4,0.77,1.0,0.3412548831471455,0.3432681104790624,0.1559008978137208,0.11337468302378179,0.23844964361592763
EOS-3-22137,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cc(F)ccc5F)[nH]4)n23)cc1,RKPQRSHXGTVCAK-UHFFFAOYSA-N,3,1,0.337,3,973,456.42,3.317,6,0.433,0.65,0.986,0.18702453567267494,0.35276883010074706,0.4777773970255637,0.5506647933657735,0.3920588890411898
EOS-3-22138,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)cc2F)n[nH]1,ZZRLZPQVTUVXJL-UHFFFAOYSA-N,3,1,0.489,97,214,420.429,3.321,5,0.468,0.7,1.0,0.7610941676375849,0.5635151805907751,0.6468370913576863,0.6249057638270167,0.6490880508532658
EOS-3-22139,COc1cc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)no4)n23)ccc1Cl,AQULXFGQPHAFOU-UHFFFAOYSA-N,3,1,0.4,45,837,439.262,4.824,5,0.396,0.82,1.0,0.6645192241792885,0.7179254334863957,0.7194332122541293,0.8011788088547734,0.7257641696936468
EOS-3-22140,Fc1cc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)ccc1C(F)F,WEWQHVSVWPJHHV-UHFFFAOYSA-N,3,1,0.377,66,225,423.32,4.873,4,0.44,0.79,1.0,0.5450705914604893,0.6597474470564046,0.9991947090672332,0.9985350558563498,0.8006369508601192
EOS-3-22141,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccnc(Cl)c5)c4)n23)cs1,ZPEICQYWPMJWHN-UHFFFAOYSA-N,3,1,0.53,4,43,435.9,4.246,5,0.381,0.79,1.0,0.46670893016242887,0.5083613186210678,0.39920156260708656,0.4005208690288534,0.4436981701048591
EOS-3-22142,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cc1)N1CCOCC1,GGZKQWKHSYLATC-UHFFFAOYSA-N,3,1,0.421,52,376,481.491,3.527,6,0.362,0.86,1.0,0.04958536083887328,0.01618292097868549,0.08179699814954423,0.2013055993420602,0.08721771982729079
EOS-3-22143,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cn5)n34)nc2)cs1,DRLRTXTXMYQWJC-UHFFFAOYSA-N,3,1,0.25,70,392,437.492,4.07,6,0.442,0.73,0.732,0.02306216160646974,0.10709512713316428,0.23007333287643067,0.21345349873209513,0.14342103008703994
EOS-3-22144,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nn2)c1,MQFRCUOOLPRSCD-UHFFFAOYSA-N,3,1,0.29,10,37,441.846,2.873,6,0.442,0.63,0.999,0.027576930984853677,0.15598656706188746,0.23375711054759785,0.3496419025426633,0.19174062778425055
EOS-3-22145,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,FIIGPXUJADMAOY-UHFFFAOYSA-N,3,1,0.329,9,642,436.504,4.377,6,0.408,0.71,1.0,0.07474641902542663,0.07785621273387705,0.4064320471523542,0.42913439791652386,0.24704226920704542
EOS-3-22146,c1ccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5cncnc5)s4)n23)cc1,YZONCTCZNZBMFY-UHFFFAOYSA-N,3,1,0.315,94,342,436.464,3.224,6,0.41,0.68,0.709,0.04513055993420602,0.08484682338427799,0.07758207113974368,0.13338701939551778,0.08523661846343637
EOS-3-22147,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)ncn1,QOSILEYDWLMNDD-UHFFFAOYSA-N,3,1,0.472,13,110,433.834,4.537,5,0.411,0.73,1.0,0.722174628195463,0.722457336714413,0.7707319580563361,0.7688643684463026,0.7460570728531286
EOS-3-22149,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccn5)n4)n23)cc1,ZEMSGUOPGOXNEN-UHFFFAOYSA-N,3,1,0.446,56,8,463.465,2.413,6,0.362,0.66,1.0,0.4111695565759715,0.22754609005551368,0.08933589198821192,0.07593722157494345,0.20099719004866012
EOS-3-22150,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)nc1,AXJLZDPCLNNXRI-UHFFFAOYSA-N,3,1,0.378,80,350,463.465,2.413,6,0.362,0.66,1.0,0.23393701596874786,0.12660201494071688,0.1783890754574738,0.13339558632033446,0.16808092317181822
EOS-3-22151,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)cn1,VHZGLMNXVUBFDD-UHFFFAOYSA-N,3,1,0.337,82,974,412.417,1.403,5,0.469,0.76,1.0,0.13205914604893426,0.06357514906449181,0.04427386745253924,0.022179768350352957,0.06552198272907957
EOS-3-22153,CCn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)c1,DHYOOGVNJXGXGJ-UHFFFAOYSA-N,3,1,0.485,15,438,429.459,3.83,5,0.391,0.71,1.0,0.5692378863683092,0.49466280583921596,0.43165307381262424,0.38832156808991847,0.47096883352751695
EOS-3-22154,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccc(Cl)n5)n4)n23)cc1,JRIIGUWOFHBHIE-UHFFFAOYSA-N,3,1,0.554,34,335,450.289,4.529,5,0.364,0.76,1.0,0.9130200123363718,0.9532931258995271,0.5986738400383799,0.7139589472962785,0.7947364813926393
EOS-3-22155,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,IGLHNDUAOCHCRG-UHFFFAOYSA-N,3,1,0.322,42,723,449.453,3.85,6,0.377,0.71,0.991,0.2312127338770475,0.2575217599890343,0.5092008772531013,0.485222054691248,0.3707893564526078
EOS-3-22156,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5[nH]ncc5C#N)cc4)n23)cc1,ZZDFVOZTPXAXLW-UHFFFAOYSA-N,3,1,0.318,25,508,445.45,2.911,6,0.437,0.6,1.0,0.22581557124254678,0.19775032554314304,0.3771588650538003,0.4228462751010897,0.305892759235145
EOS-3-22157,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(Cl)nn5)c4)n23)cn1,NAVFQYZNPGMPBN-UHFFFAOYSA-N,3,1,0.44,55,875,435.81,2.805,5,0.384,0.64,1.0,0.786854910561305,0.7411246658899322,0.48838324994859844,0.49726715098348295,0.6284074943458297
EOS-3-22158,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4F)n23)cc1,DTBVTCKLBFKRGD-UHFFFAOYSA-N,3,1,0.556,89,258,473.472,2.402,5,0.369,0.75,1.0,0.5578524432869577,0.37184737166746623,0.20539202247961072,0.11338324994859846,0.3121187718456583
EOS-3-22159,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ncn2)cn1,QVQWYMYDNDWJKR-UHFFFAOYSA-N,3,1,0.389,7,296,432.835,2.369,5,0.408,0.62,0.939,0.4203190322801727,0.41924816667808923,0.11768384620656569,0.12695325885820027,0.27105107600575695
EOS-3-22160,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)cc(F)c4C)n23)cn1,ODIBJIWLZCTBAI-UHFFFAOYSA-N,3,1,0.489,16,82,445.433,4.117,5,0.402,0.68,1.0,0.8394815297100953,0.762764717976835,0.7272719484613803,0.6396408745116853,0.7422897676649989
EOS-3-22161,COc1ccccc1CCOc1cncc2nnc(-c3cnnc(-c4ccccc4F)c3)n12,HOCAXNZHQLEUGM-UHFFFAOYSA-N,3,1,0.568,19,309,442.454,4.018,5,0.376,0.73,1.0,0.8010331711328902,0.7965269686793228,0.67469673086149,0.6162617366869988,0.7221296518401754
EOS-3-22162,Fc1cccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,MGVNPZZGQYYKGQ-UHFFFAOYSA-N,3,1,0.576,57,418,446.873,4.662,5,0.377,0.75,1.0,0.7551230210403673,0.9078884243711877,0.7399852648893154,0.8183297923377424,0.8053316256596532
EOS-3-22163,Fc1ccc(-c2cncnc2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ADOHKQDCHTYSOB-UHFFFAOYSA-N,3,1,0.632,97,232,432.846,4.62,5,0.403,0.74,1.0,0.9711637310670962,0.9788225618531972,0.9262045096292235,0.9342231512576246,0.9526034884517853
EOS-3-22164,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncccn1,FPWFFTQOUBZKCG-UHFFFAOYSA-N,3,1,0.385,46,717,445.874,3.228,5,0.388,0.64,1.0,0.5116595846754849,0.5219655952299362,0.0868086491672949,0.10436227811664725,0.3061990267973408
EOS-3-22165,COc1ncc(-c2nnn(C)n2)cc1COc1cncc2nnc(-c3ccc(C)cc3F)n12,AONWTTYZUQKUBI-UHFFFAOYSA-N,3,1,0.473,36,258,447.434,2.412,5,0.387,0.67,1.0,0.46905626756219587,0.4720889589472963,0.1880697005003084,0.12696182578301693,0.3140441881982044
EOS-3-22167,Fc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)c1,AIZVKBHTMUTYPH-UHFFFAOYSA-N,3,1,0.552,11,429,430.418,4.148,5,0.403,0.7,1.0,0.9688335275169625,0.9363648824617915,0.820685696662326,0.8222791446782263,0.8870408128298266
EOS-3-22168,Fc1ccccc1-c1ccnc(-c2nnc3cncc(OCCc4ncccc4F)n23)c1,DXOAZWJQDHXRKU-UHFFFAOYSA-N,3,1,0.472,11,503,430.418,4.148,5,0.403,0.7,1.0,0.679699814954424,0.6597560139812213,0.7245476663696799,0.7713230758686862,0.7088316427935029
EOS-3-22169,Fc1ccc(-c2nnc3cncc(-c4cncc(OCc5ccc(F)c(Cl)c5)n4)n23)cc1,PCUAANKKVOAFKU-UHFFFAOYSA-N,3,1,0.623,45,13,450.836,4.759,5,0.384,0.8,1.0,0.8938729353711192,0.9457542320608594,0.9335120964978412,0.9434497292851758,0.9291472483037488
EOS-3-22170,Cc1nc(-c2ccc(CO)cn2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,CKXZOWXRNDVQMI-UHFFFAOYSA-N,3,1,0.462,18,330,440.467,2.461,5,0.406,0.66,1.0,0.46181721609211157,0.18879788910972517,0.22279144678226304,0.16060413953807143,0.2585026728805428
EOS-3-22171,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,XLASTUVYHQAOGE-UHFFFAOYSA-N,3,1,0.548,73,183,433.834,4.015,5,0.413,0.67,1.0,0.6342437118771845,0.7271091768898637,0.7088616270303612,0.7380234391062984,0.7020594887259269
EOS-3-22172,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nncn5C)cc4F)n23)c(F)n1,FIIQIPCIGMXLSP-UHFFFAOYSA-N,3,1,0.494,36,250,434.41,3.147,5,0.392,0.67,1.0,0.6797083818792407,0.5781217874031938,0.5535261462545404,0.49727571790829966,0.5771580083613187
EOS-3-22173,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)nn1,IAKCSQQSMSGMGA-UHFFFAOYSA-N,3,1,0.549,19,691,449.396,3.682,5,0.391,0.66,1.0,0.8532828455897471,0.7798814337605373,0.7450311836063327,0.790076074292372,0.7920678843122473
EOS-3-22174,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cc1,PGOIFDIQPIOJOL-UHFFFAOYSA-N,3,1,0.395,93,228,460.501,4.324,6,0.378,0.75,1.0,0.15120622301418682,0.08805942019052841,0.4916472483037489,0.4732026591734631,0.3010288876704818
EOS-3-22175,COc1ccc(F)cc1-c1nnc2cncc(-c3cncc(-c4ncc(F)cn4)c3)n12,ZFMUMWQAYQIROY-UHFFFAOYSA-N,3,1,0.365,2,859,417.379,3.597,5,0.441,0.74,1.0,0.4573624151874443,0.4412651634569255,0.7140274826948119,0.6772154067575903,0.572467617024193
EOS-3-22177,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)c1F,TUVCVFGCUIYKPI-UHFFFAOYSA-N,3,1,0.494,73,82,449.396,3.948,5,0.401,0.68,1.0,0.9436639024055925,0.8807912411760674,0.8172417928860256,0.7713316427935029,0.853257144815297
EOS-3-22178,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)nn1,MMLKBJYHBXTORS-UHFFFAOYSA-N,3,1,0.462,16,772,432.394,3.204,5,0.417,0.61,1.0,0.7812264409567542,0.5930625042834624,0.6313737920636009,0.5921629771777123,0.6494564286203824
EOS-3-22179,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)n1,XLTXMAMVQSCQAK-UHFFFAOYSA-N,3,1,0.311,38,270,433.435,3.669,6,0.41,0.65,0.999,0.16205194983208826,0.12298677266808307,0.26573744088821877,0.25115653485025013,0.20048317455966005
EOS-3-22180,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncc(F)cn1,QELIYNCVSQFZNF-UHFFFAOYSA-N,3,1,0.39,31,602,463.864,3.156,5,0.374,0.66,0.997,0.7784164896168871,0.7086131862106778,0.16232609142622165,0.20725104516482765,0.4641517031046536
EOS-3-22181,Cn1nnc(-c2cncc(COc3cncc4nnc(-c5cc(F)cc(Cl)n5)n34)c2)n1,DPJXFVXSSNQOQW-UHFFFAOYSA-N,3,1,0.394,92,62,438.814,2.143,5,0.38,0.67,1.0,0.4045216229182373,0.40518984305393735,0.19491467342882599,0.26323589884175175,0.31696550956068814
EOS-3-22182,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,GLXGHKZUIHNQKS-UHFFFAOYSA-N,3,1,0.5,87,173,443.898,4.227,5,0.363,0.77,1.0,0.6673291755191556,0.7841991638681379,0.5499708724556234,0.5374374614488383,0.6347341683229388
EOS-3-22183,Cn1cnnc1-c1cnc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)cc1F,NCAFVHMNPXXUQW-UHFFFAOYSA-N,3,1,0.273,99,866,454.433,1.978,6,0.392,0.6,1.0,0.12927489548351723,0.24270954698101568,0.07961243232129395,0.1249485984511,0.1441363683092317
EOS-3-22184,Cc1nc(-c2cncc(-c3nnc4cncc(COc5ccc(Cl)nn5)n34)c2)cs1,VQLLMDBHHGOCFV-UHFFFAOYSA-N,3,1,0.327,85,351,436.888,3.641,5,0.411,0.69,1.0,0.3619954081282983,0.4280720992392571,0.2337656774724145,0.2366098965115482,0.3151107703378795
EOS-3-22185,Cc1cnc(-c2nc(-c3nnc4cncc(OCc5cn(C)nc5C)n34)ccc2F)cn1,FPJZMIVIVWDFSM-UHFFFAOYSA-N,3,1,0.387,31,828,431.435,2.712,5,0.418,0.64,1.0,0.34348228359947913,0.2989171407031732,0.13467205811801797,0.09809985607566309,0.21879283462408333
EOS-3-22186,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)ccn1,CMLLIHAPMFYAFL-UHFFFAOYSA-N,3,1,0.483,46,160,433.834,4.015,5,0.386,0.68,1.0,0.5116681516003015,0.5883935302583785,0.74992289767665,0.7830254951682544,0.6582525186758961
EOS-3-22187,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccc2F)nc1,AWHNAYLCDMZLJU-UHFFFAOYSA-N,3,1,0.553,88,429,448.408,4.287,5,0.386,0.72,1.0,0.9775717908299637,0.9650212459735453,0.9084881091083544,0.9105441710643547,0.9404063292440545
EOS-3-22188,O=C(c1ccc(-c2cncc3nnc(-c4cccc(F)n4)n23)c(F)c1)N1CC2CCCCC2C1,XGJYDPRQSBKWHK-UHFFFAOYSA-N,3,1,0.324,0,825,460.488,4.394,6,0.424,0.7,0.977,0.097534439037763,0.12661058186553356,0.03984476732232198,0.34965046946747996,0.15341006442327465
EOS-3-22189,Cc1nc(-c2cnc(F)cn2)c(-c2cncc3nnc(-c4ccc(C#N)nc4)n23)n1C(C)C,DWPIGKCAGAIJNW-UHFFFAOYSA-N,3,1,0.368,50,974,440.446,3.407,5,0.416,0.65,0.384,0.20376430676444385,0.3140548968542252,0.24785826879583306,0.20456103077239393,0.24255962579672402
EOS-3-22190,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1C,JLGTXIBRTLVZSJ-UHFFFAOYSA-N,3,1,0.593,16,256,431.887,4.128,5,0.416,0.68,1.0,0.8394900966349119,0.7927746556096223,0.6018950037694469,0.5764598039887602,0.7026548900006854
EOS-3-22191,Cc1ccc(F)c(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)nn2)n1,XJBCQNMVJGWYHS-UHFFFAOYSA-N,3,1,0.451,54,411,432.394,3.204,5,0.39,0.68,0.79,0.7313669385237476,0.5591803166335412,0.4849564800219313,0.46376190802549516,0.5598164108011788
EOS-3-22193,c1cc(-c2cnncn2)nc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)nc4)n23)c1,QCVUVDBGKLKKAF-UHFFFAOYSA-N,3,1,0.269,76,887,431.423,2.557,6,0.41,0.6,1.0,0.12624220409841683,0.10710369405798095,0.23377424439723116,0.24823521348776642,0.17883883901034883
EOS-3-22194,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)c1,KMSKVOTTXNQCDD-UHFFFAOYSA-N,3,1,0.456,2,422,436.838,3.353,5,0.417,0.64,1.0,0.5166112672195189,0.5083698855458845,0.6138886985127818,0.6134603522719485,0.5630825508875335
EOS-3-22195,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)c1,VCWRKTBFSJNEFM-UHFFFAOYSA-N,3,1,0.489,4,79,436.838,3.353,5,0.417,0.64,1.0,0.4504831745596601,0.5040178877390172,0.5766996778836269,0.607206497155781,0.5346018093345213
EOS-3-22196,Fc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)c1,RQVFOQRTFBXXGV-UHFFFAOYSA-N,3,1,0.522,19,207,431.406,3.543,5,0.38,0.7,1.0,0.7221831951202796,0.6695223082722226,0.7166746624631622,0.7484151189089164,0.7141988211911453
EOS-3-22197,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5nncn5C)c(F)c4)n23)ccc1F,UGVOYJBQMPNXCV-UHFFFAOYSA-N,3,1,0.506,37,563,448.437,3.19,5,0.394,0.66,1.0,0.7578216023576178,0.7039442121855939,0.4354567884312247,0.40346789116578713,0.5751726235350558
EOS-3-22198,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5nccnn5)cc4Cl)n23)cn1,DBVRQGMMCWRCQB-UHFFFAOYSA-N,3,1,0.326,82,974,470.884,2.646,6,0.41,0.66,0.997,0.16479336577342196,0.22755465698033034,0.041352546090055516,0.10437084504146392,0.13451785347131792
EOS-3-22199,FC(F)c1ccc(-c2ncccc2COc2cncc3nnc(-c4cnccn4)n23)nn1,GEYQNUDACWOCDP-UHFFFAOYSA-N,3,1,0.418,53,62,433.382,2.95,5,0.398,0.63,1.0,0.5745665136042766,0.4237029675827565,0.4244996915907066,0.362697895963265,0.44636676718525115
EOS-3-22200,COc1nc(-c2ccccc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,FITIQHJUNIDNID-UHFFFAOYSA-N,3,1,0.462,1,418,445.87,3.884,5,0.388,0.71,1.0,0.5919830717565623,0.5357155095606881,0.34286546501267906,0.3368086491672949,0.45184317387430606
EOS-3-22201,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5c(C)noc5C)ccc4F)n23)cn1,RLUHZSUFKAMXNI-UHFFFAOYSA-N,3,1,0.433,7,606,431.431,3.88,5,0.413,0.74,1.0,0.5745750805290932,0.4852563223905147,0.40279110410527036,0.3086234665204578,0.44281149338633397
EOS-3-22202,OCc1cncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)n1,MGRTUESDOVOCKC-UHFFFAOYSA-N,3,1,0.338,93,987,457.497,4.47,6,0.407,0.74,1.0,0.19827290795695976,0.18880645603454185,0.6799910903981906,0.6887464875608251,0.43895423548762935
EOS-3-22203,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cn2)n(C)n1,WZWFIXMSDPTSCF-UHFFFAOYSA-N,3,1,0.287,10,37,452.457,3.282,6,0.404,0.65,1.0,0.016217188677952164,0.1888150229593585,0.26934411623603594,0.2990285107257899,0.19335120964978414
EOS-3-22204,c1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)n2)c1,HXYMBABKBWHAHZ-UHFFFAOYSA-N,3,1,0.292,70,952,425.441,2.348,6,0.418,0.63,1.0,0.01383558357891851,0.055693578233157424,0.038456925502021795,0.05719279007607429,0.041294719347543
EOS-3-22205,Fc1cc(-c2nnc3cncc(Cc4c(F)ccc(Cl)c4F)n23)ccc1-c1nc[nH]n1,AGPQOWOEUMRNEA-UHFFFAOYSA-N,3,1,0.346,45,164,441.804,4.238,5,0.422,0.67,1.0,0.41117812350078814,0.5781303543280104,0.9397488177643754,0.9560002741415942,0.721264392433692
EOS-3-22206,Cn1ccnc1-c1cnnc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)c1,IVDCIXSHPKZKAR-UHFFFAOYSA-N,3,1,0.438,65,65,435.398,2.276,5,0.4,0.63,1.0,0.5502792817490234,0.40985881707902133,0.32107120827907615,0.330306353231444,0.40287891508464124
EOS-3-22207,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cc2F)n1,HJQFXECSTYXJBD-UHFFFAOYSA-N,3,1,0.542,4,677,434.46,3.435,5,0.414,0.68,1.0,0.5140154890000685,0.6119611404290316,0.16541018436022206,0.1497755465698033,0.36029059008978137
EOS-3-22208,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)cn1,MKNOMJPHKRKTDV-UHFFFAOYSA-N,3,1,0.535,15,426,427.443,3.712,5,0.382,0.73,1.0,0.8462494003152629,0.792783222534439,0.5733842779795765,0.4972842848331163,0.6774252964155987
EOS-3-22210,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5nccc(C)n5)n34)ccn2)ncn1,JHVGJCXWKROAJV-UHFFFAOYSA-N,3,1,0.471,75,359,425.456,2.672,5,0.405,0.67,1.0,0.5166198341443355,0.26293605647316837,0.0818055650743609,0.05165855664450689,0.22825500308409294
EOS-3-22211,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nc2C)n1,NQGTWPLWJXIQHO-UHFFFAOYSA-N,3,1,0.471,31,690,425.456,2.672,5,0.405,0.67,1.0,0.49654752929888285,0.28867966554725516,0.07962099924611062,0.0602254814611747,0.23126841888835584
EOS-3-22212,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nn2)ccn1,TWBLXQSXVOBTRH-UHFFFAOYSA-N,3,1,0.321,38,620,436.414,3.03,6,0.388,0.64,1.0,0.01384415050373518,0.13324138167363445,0.38080837502570075,0.4005294359536701,0.23210583578918512
EOS-3-22214,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)nc1,XNXDYMWNTCAMFN-UHFFFAOYSA-N,3,1,0.623,68,127,422.317,4.117,4,0.451,0.72,1.0,0.7253015557535467,0.8613100541429648,0.9914245082585155,0.9680111027345624,0.8865118052223974
EOS-3-22215,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)n2)nc1,WENIIDYZDGNQIH-UHFFFAOYSA-N,3,1,0.326,76,588,448.425,3.301,6,0.4,0.64,0.958,0.22582413816736344,0.2681019121376191,0.13784182030018505,0.19835857720512645,0.20753161195257347
EOS-3-22216,Cn1nc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3F)n12,TWYDKEPBKCUFIK-UHFFFAOYSA-N,3,1,0.466,36,610,439.842,2.692,5,0.415,0.64,1.0,0.45049174148447674,0.5976543759851963,0.29895997532725654,0.3177558083750257,0.41621547529298886
EOS-3-22217,Cn1ccnc1-c1nc(COc2cncc3nnc(-c4cccc(F)c4)n23)ccc1F,MRQRPMLAKQHDKM-UHFFFAOYSA-N,3,1,0.59,4,71,419.395,3.444,5,0.434,0.7,1.0,0.5553337673908574,0.5930710712082791,0.5398362003975054,0.5506733602905901,0.559728599821808
EOS-3-22218,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c(F)c2)cc1=O,AMMYANPXHSMWNQ-UHFFFAOYSA-N,3,1,0.517,4,470,463.86,3.319,5,0.394,0.69,1.0,0.43386334041532454,0.5635237475155918,0.6716811733260228,0.6972534439037763,0.5915804262901789
EOS-3-22219,Fc1ccc(Cc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)cnn4)n23)c(F)c1,DGJGHAMBUZKQHZ-UHFFFAOYSA-N,3,1,0.305,45,358,436.372,4.396,5,0.391,0.7,0.998,0.4023798917140703,0.5401703104653554,0.9669916386813789,0.9779316016722637,0.721868360633267
EOS-3-22220,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)nc2)n1,IFMVCUWMMCQLHQ-UHFFFAOYSA-N,3,1,0.277,99,664,456.861,2.278,6,0.366,0.7,0.564,0.0064251936125008565,0.10711226098279762,0.08181413199917757,0.1313309574395175,0.08167063600849839
EOS-3-22221,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c(F)c2)nc1,LFUQCBMHTCTWQB-UHFFFAOYSA-N,3,1,0.5,37,132,466.839,3.591,5,0.374,0.7,1.0,0.9157871290521554,0.9318244123089576,0.543168734151189,0.6102134877664314,0.7502484408196834
EOS-3-22222,Cc1cc(OCc2cncc3nnc(-c4cc(-c5cccc(F)c5)ncn4)n23)ccc1Cl,MDDQPTMJAMHSJF-UHFFFAOYSA-N,3,1,0.366,44,189,446.873,4.928,5,0.381,0.83,1.0,0.5949386608183127,0.6501182235624701,0.8559214584332808,0.8726440956754163,0.74340560962237
EOS-3-22223,Clc1ccnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)[nH]2)c1,MYANACTWDVXYAD-UHFFFAOYSA-N,3,1,0.365,70,407,452.869,3.749,6,0.429,0.66,0.21,0.13206771297375094,0.23223219793023098,0.28077239394147074,0.4100558563498047,0.26378204029881436
EOS-3-22224,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,OZEFPCQNZRFPJM-UHFFFAOYSA-N,3,1,0.598,90,636,409.837,2.216,4,0.52,0.79,1.0,0.6175296415598657,0.540178877390172,0.20540058940442738,0.17378863683092316,0.384224436296347
EOS-3-22225,CCc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5ncc(F)cn5)n34)c2)nn1,UQLVEJOPKRPVNW-UHFFFAOYSA-N,3,1,0.461,51,196,447.409,2.853,5,0.387,0.63,1.0,0.5801864162840107,0.5781389212528271,0.22280001370707972,0.25116510177506685,0.4080726132547461
EOS-3-22226,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)nc5)n34)cn2)ccn1,XIYYRKPWYQMBDL-UHFFFAOYSA-N,3,1,0.31,32,191,446.449,4.511,6,0.368,0.76,1.0,0.27158865053800285,0.3908145432115688,0.6747052977863066,0.6713042286340896,0.502103180042492
EOS-3-22227,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cn(C)c2=O)cn1,FQBXWPLNUSSPNN-UHFFFAOYSA-N,3,1,0.477,65,388,442.483,2.39,5,0.381,0.66,1.0,0.05972003289699129,0.004240627784250566,0.15921629771777124,0.11803509012404907,0.08530301213076553
EOS-3-22228,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(CF)nn5)n34)c(F)c2)n1,BQXCADYUWUBLNZ-UHFFFAOYSA-N,3,1,0.483,36,208,447.409,2.929,5,0.387,0.65,1.0,0.682612569392091,0.7586268932903845,0.27720855321773696,0.26324446576656846,0.4954231204166952
EOS-3-22229,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cc(Cl)[nH]n5)c4)n23)cc1F,KTZHTHZVHBVDBN-UHFFFAOYSA-N,3,1,0.396,14,358,465.851,3.803,5,0.409,0.7,1.0,0.31414913302720854,0.43720444109382495,0.839952710575012,0.8546107189363306,0.611479250908094
EOS-3-22230,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ncn2)ccn1,TVXWYNILZJAZPI-UHFFFAOYSA-N,3,1,0.541,44,488,435.369,3.64,5,0.389,0.7,0.983,0.8296038653964772,0.7411332328147489,0.8903090946473854,0.8780755260091837,0.8347804297169488
EOS-3-22231,Cn1ncnc1-c1nccnc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,OLYZVXUTKMJRGS-UHFFFAOYSA-N,3,1,0.542,36,32,419.836,2.609,5,0.427,0.7,1.0,0.5664193681036255,0.6841631827839079,0.09381639366732918,0.17105578781440614,0.37886368309231716
EOS-3-22232,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccn5)c4)n23)cc1F,SYHNEJWDVWFZHV-UHFFFAOYSA-N,3,1,0.343,62,3,410.412,3.758,5,0.486,0.88,1.0,0.255311493386334,0.1977588924679597,0.7064200534576108,0.70002056061956,0.46487774998286613
EOS-3-22233,c1cnc(-c2cnc(-c3nnc4cncc(Cc5ccc(-c6cncnn6)nc5)n34)cn2)cn1,JPQJONJYSFNHMZ-UHFFFAOYSA-N,3,1,0.265,86,513,446.438,1.876,6,0.382,0.6,1.0,0.08545507504626139,0.01935268316085258,0.09606092796929615,0.10218627921321362,0.07576374134740593
EOS-3-22234,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,HNFHMEFFNGNZEW-UHFFFAOYSA-N,3,1,0.622,1,676,448.408,4.846,5,0.383,0.8,1.0,0.7697210609279693,0.8008703995613734,0.9747275717908299,0.9393633061476252,0.8711705846069494
EOS-3-22235,Cc1cnc(-c2nnc3cncc(Oc4ccc(-c5ncc(C#N)nn5)nc4F)n23)cn1,WAJLEETXIYRBFJ-UHFFFAOYSA-N,3,1,0.34,7,828,427.363,1.94,5,0.386,0.7,1.0,0.6520372147214036,0.5884020971831951,0.12594236172983345,0.12697039270783358,0.3733380165855665
EOS-3-22236,Fc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)nc1,QYDBJPLOSGWLOL-UHFFFAOYSA-N,3,1,0.613,73,863,469.267,4.063,5,0.38,0.74,1.0,0.9785141525597971,0.9759098074155301,0.6285981084230005,0.7271177438146803,0.827534953053252
EOS-3-22237,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)c2)nc1,AKFVMAGGBPRBBR-UHFFFAOYSA-N,3,1,0.466,73,949,436.357,3.035,5,0.414,0.63,1.0,0.6118926050304982,0.6256939209101501,0.6611010211774382,0.6482592008772531,0.6367366869988349
EOS-3-22238,Fc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(C(F)F)nn5)ccn4)n23)ccn1,KAKZDNQPHHVOFI-UHFFFAOYSA-N,3,1,0.523,27,52,450.384,3.694,5,0.361,0.72,1.0,0.5297443629634706,0.6399407168802687,0.7994739908162566,0.7139675142210952,0.6707816462202728
EOS-3-22239,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)cn1,XSCQPPAFWXQOFR-UHFFFAOYSA-N,3,1,0.473,15,33,430.859,3.313,5,0.378,0.66,1.0,0.7127767116715784,0.7271177438146803,0.40644061407717086,0.4881519429785484,0.5836217531354945
EOS-3-22240,Clc1cc(-c2cnccn2)cnc1-c1nnc2cncc(-c3ncn(-c4ccccc4)n3)n12,HEUHBPCDHGMGPA-UHFFFAOYSA-N,3,1,0.253,10,871,452.869,3.544,6,0.399,0.65,0.568,0.01720238503186896,0.12985744637105065,0.20540915632924406,0.32386402576930984,0.1690832533753684
EOS-3-22241,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5cnc(F)cn5)n34)c2)c1,QJMPZSQTONZJJG-UHFFFAOYSA-N,3,1,0.386,65,466,433.382,2.333,5,0.398,0.63,1.0,0.555342334315674,0.5127904187512851,0.35814885888561443,0.39742820917003635,0.4559274552806524
EOS-3-22242,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(Cl)cc5)n4)n23)cc1,IKMQUQHTTJEPQQ-UHFFFAOYSA-N,3,1,0.31,39,144,469.871,4.289,6,0.379,0.78,0.919,0.04219210472208896,0.22756322390514702,0.4639075457473785,0.6482677678020697,0.3454826605441711
EOS-3-22243,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nn2C)cn1,JWCHFRKPGCIUND-UHFFFAOYSA-N,3,1,0.593,95,493,448.918,3.683,5,0.377,0.71,1.0,0.23122130080186415,0.19322698923994244,0.2657460078130354,0.2959272839421561,0.24653039544924954
EOS-3-22244,Cc1ncc(-c2cccnn2)c(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)n1,ITNIPEJCRJJAAU-UHFFFAOYSA-N,3,1,0.396,53,128,431.847,2.974,5,0.413,0.61,1.0,0.5528579261188403,0.644986635597286,0.1687255842642725,0.21041224042217804,0.39424559660064423
EOS-3-22245,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)cn1,JOQYVWJMAPHCLI-UHFFFAOYSA-N,3,1,0.488,7,99,431.847,2.974,5,0.413,0.61,1.0,0.4865670618874649,0.5309608662874374,0.24786683572064971,0.2336885751490645,0.37477083476115414
EOS-3-22246,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(C#N)c(F)c5)c4)n23)cn1,LJVWJFNAWFGGJP-UHFFFAOYSA-N,3,1,0.5,97,230,437.438,4.147,5,0.407,0.71,1.0,0.9099530532520047,0.8833013501473511,0.8677266808306491,0.8075440339935577,0.8671312795558906
EOS-3-22247,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cn1,QMIYVNRQBZEDLC-UHFFFAOYSA-N,3,1,0.309,42,106,447.462,3.977,6,0.395,0.71,1.0,0.09282263038859571,0.08485539030909464,0.17528784867384004,0.15502707148242068,0.12699823521348777
EOS-3-22248,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1F,MITBTCQYRHJUCU-UHFFFAOYSA-N,3,1,0.553,37,125,434.41,2.882,5,0.405,0.63,1.0,0.6734545267630732,0.6257024878349667,0.6200140497566994,0.610222054691248,0.6323482797614968
EOS-3-22249,Cc1ccc(-n2nnnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1,SSUSNFDCTORAMR-UHFFFAOYSA-N,3,1,0.278,10,37,432.451,3.199,6,0.417,0.64,1.0,0.01540333082036872,0.03138064560345418,0.15590946473853745,0.2072596120896443,0.10248826331300116
EOS-3-22250,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5nncn5C)c4)n23)nc1,ZLJQLUIORSHARG-UHFFFAOYSA-N,3,1,0.255,99,286,437.431,1.234,6,0.395,0.6,0.999,0.04513912685902269,0.017724967445685698,0.023190665478719757,0.0237389486669865,0.02744842711260366
EOS-3-22251,Cc1ncc(-c2nc(COc3cncc4nnc(-c5ccc(C)c(C)c5)n34)ccc2F)nn1,OAHSMHWLQAFJER-UHFFFAOYSA-N,3,1,0.5,4,677,442.458,3.682,5,0.406,0.64,1.0,0.5578610102117744,0.5539716263450072,0.3506527996710301,0.27811664724830376,0.43515052086902883
EOS-3-22252,c1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnco6)c5)n34)cn2)nc1,FKUQDMCEMVAHAP-UHFFFAOYSA-N,3,1,0.284,70,191,419.408,3.36,6,0.423,0.71,1.0,0.16206051675690494,0.1369165924199849,0.3061733260228908,0.31483448701254196,0.22999623055308066
EOS-3-22253,CC(F)(F)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ncc(F)cn5)c4)n23)cn1,BKHRHBMCVNHEID-UHFFFAOYSA-N,3,1,0.386,85,260,447.424,4.485,5,0.395,0.73,1.0,0.4067233225961209,0.5447878829415393,0.9032451511205538,0.8183383592625592,0.6682736789801933
EOS-3-22254,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncs6)cn5)n34)cn2)ncn1,ACWGIKJIJYAYFP-UHFFFAOYSA-N,3,1,0.325,86,443,454.454,3.363,6,0.369,0.7,1.0,0.167449112466589,0.35783188266739774,0.2989685422520732,0.3148430539373586,0.2847731478308546
EOS-3-22255,Fc1cc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)nn2)ccn1,KRKUCUPAQQVWQN-UHFFFAOYSA-N,3,1,0.329,38,620,436.414,3.235,6,0.418,0.65,0.997,0.22022993626207937,0.257530326913851,0.3955691864848194,0.43233842779795767,0.32641696936467685
EOS-3-22256,COc1ccc(Cl)c(-c2nnc3cncc(-c4cccc(-c5nnn(C)n5)n4)n23)c1,CXMQYUSLWHNBLK-UHFFFAOYSA-N,3,1,0.357,22,844,419.836,2.706,5,0.437,0.69,1.0,0.15670618874648756,0.3140634637790419,0.16541875128503872,0.21042080734699473,0.21165230278939073
EOS-3-22257,Cc1c(F)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1-c1ncccn1,SKBQKTOVRXVDSI-UHFFFAOYSA-N,3,1,0.494,7,242,448.849,3.718,5,0.4,0.69,1.0,0.8063189637447742,0.7715286820642862,0.5263775615105202,0.5175536289493523,0.6554447090672333
EOS-3-22258,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ncccn5)n4)n23)cn1,ISKLAMUVGLAWDQ-UHFFFAOYSA-N,3,1,0.304,86,952,438.39,1.82,6,0.375,0.64,1.0,0.012207867863751628,0.1480964293057364,0.044282434377355906,0.07594578849976012,0.07013313001165102
EOS-3-22259,Fc1cc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)ccn1,DVAZOEAOEAVMBK-UHFFFAOYSA-N,3,1,0.242,86,953,438.39,1.82,6,0.375,0.64,0.993,0.0026129120690836817,0.041027002947022134,0.14084024398601877,0.19027140017819202,0.09368788979507915
EOS-3-22260,COc1ncc(F)cc1-c1nnc2cncc(OCc3cncc(-c4ccsc4)c3)n12,AHMJVJVGUOXZPE-UHFFFAOYSA-N,3,1,0.455,2,419,434.456,4.037,5,0.399,0.73,1.0,0.6645277911041053,0.4946713727640326,0.5630954012747584,0.47600404358851345,0.5495746521828524
EOS-3-22261,Cc1cnc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)c(C)c5)n34)c2)nc1,UUYLFFPQEMEJCP-UHFFFAOYSA-N,3,1,0.447,14,18,442.91,5.098,5,0.377,0.86,1.0,0.5502878486738401,0.5265917346309369,0.7194417791789459,0.6832722226029745,0.6198983962716743
EOS-3-22262,Cn1c(C#N)ccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1,JBQZYAMFWYUMGA-UHFFFAOYSA-N,3,1,0.27,70,957,456.473,3.582,6,0.394,0.68,1.0,0.15921629771777124,0.10712082790761428,0.48146974162154754,0.45761942293194435,0.30135657254471937
EOS-3-22263,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nn[nH]n5)c(F)c4)n23)cc1,AWMKWFYLGGHZQC-UHFFFAOYSA-N,3,1,0.479,89,512,472.444,1.977,6,0.362,0.8,1.0,0.4528133781097937,0.2629446233979851,0.08450414639161127,0.11095024330066479,0.22780309780001373
EOS-3-22264,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cn(C)nc4C)n23)ccc1F,RELOXAXLEUCRML-UHFFFAOYSA-N,3,1,0.511,26,460,446.49,3.477,5,0.38,0.71,1.0,0.41559865670618873,0.4547323692687273,0.29897710917688985,0.2366184634363649,0.35148164964704265
EOS-3-22265,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)nc(C)n4)n23)nc1,PVBIZPCMENMJDH-UHFFFAOYSA-N,3,1,0.365,33,53,471.456,2.424,5,0.371,0.68,0.996,0.43630491398807486,0.2834281406346378,0.2054177232540607,0.11339181687341512,0.2596356486875471
EOS-3-22266,Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)n2)nn1,ZDTPCARZOXQMFJ-UHFFFAOYSA-N,3,1,0.495,4,677,460.885,3.071,5,0.407,0.67,0.998,0.5949472277431294,0.7586354602152011,0.3619268727297649,0.3722585840586663,0.5219420361866904
EOS-3-22267,Cn1cc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cnnn6C)cn5)n34)cn2)cn1,LZLNGBHZBXHXML-UHFFFAOYSA-N,3,1,0.202,99,312,425.42,0.963,6,0.404,0.65,1.0,0.0003855116167500514,0.00609965046946748,0.03571550956068809,0.029298882873003907,0.01787488862997738
EOS-3-22268,CCn1c(-c2cncc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,UREIQVRUXXXSRK-UHFFFAOYSA-N,3,1,0.378,50,243,453.844,4.118,5,0.394,0.7,0.145,0.22288568295524638,0.39547495031183605,0.3917911726406689,0.5042406277842506,0.3785981084230005
EOS-3-22269,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,XWPXRNPNPWARLZ-UHFFFAOYSA-N,3,1,0.56,35,202,447.861,4.057,5,0.387,0.68,1.0,0.9144078541566719,0.9406226440956754,0.8154941402234254,0.8362774998286615,0.8767005345761085
EOS-3-22270,O=C(NC1CCOC1)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cccnn5)c4)n23)cc1,PCBVUXDAGZROEQ-UHFFFAOYSA-N,3,1,0.345,62,319,477.528,3.358,6,0.4,0.72,1.0,0.13977794530875198,0.009389349599067918,0.2550116510177507,0.2720341306284696,0.16905326913851004
EOS-3-22271,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cncc(-c6ncnn6C)c5F)n34)nc2)no1,GZRUYWXFBBSUGW-UHFFFAOYSA-N,3,1,0.299,86,812,455.417,2.541,6,0.39,0.63,1.0,0.16745767939140566,0.2575388938386677,0.08681721609211157,0.09401343293811254,0.15145680556507435
EOS-3-22272,Fc1cccc(-c2cnc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)cn5)n34)cn2)c1,QTRAMSLNVGLZSS-UHFFFAOYSA-N,3,1,0.347,85,674,452.375,3.787,5,0.383,0.67,1.0,0.3388304434240285,0.46782263038859573,0.890317661572202,0.8422572133506956,0.6348069871838804
EOS-3-22273,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncnc4-c4ccccc4Cl)n23)cc1,HZTNYUHQUMYKPY-UHFFFAOYSA-N,3,1,0.35,9,642,465.908,4.364,6,0.381,0.77,1.0,0.2287111918305805,0.31407203070385853,0.5020560619560003,0.5979199506545131,0.41068980878623806
EOS-3-22274,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nn2)cn1,WLWMFRSCUYXVKL-UHFFFAOYSA-N,3,1,0.294,98,890,424.432,1.568,6,0.418,0.63,1.0,0.001336440271400178,0.007992940853951067,0.07317010485915976,0.06830409156329244,0.03770089438695086
EOS-3-22275,Cc1nn(C)cc1COc1cncc2nnc(-c3ccc(-c4cncs4)cc3Cl)n12,QOKWXRVHYFFIJS-UHFFFAOYSA-N,3,1,0.488,16,256,437.916,4.189,5,0.41,0.72,1.0,0.33418717017339455,0.517279487355219,0.4168836954286889,0.4164125145637722,0.4211907168802687
EOS-3-22276,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)nc1,VXGDCYUDYZUKKP-UHFFFAOYSA-N,3,1,0.562,19,73,443.442,2.896,5,0.409,0.66,1.0,0.6063669385237476,0.4146477280515386,0.5922058118017957,0.5637807552600919,0.5442503084092934
EOS-3-22277,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)c1,WQFTWTUVRUKXNG-UHFFFAOYSA-N,3,1,0.338,64,449,453.853,4.014,6,0.389,0.71,1.0,0.28223733808512097,0.3330820368720444,0.2917637584812556,0.4228548420259064,0.3324844938660818
EOS-3-22278,Cc1cc(-c2nnc3cncc(OCc4ccccc4-c4nccn4C)n23)ccc1Cl,HDVCQEMYABGDQB-UHFFFAOYSA-N,3,1,0.536,43,521,430.899,4.733,5,0.403,0.78,1.0,0.7253101226783634,0.7363957233911316,0.727280515386197,0.7113289013775616,0.7250788157083133
EOS-3-22279,Fc1cnc(-c2ncncc2-c2nnc3cncc(OCc4cnc(C5CC5)cn4)n23)nc1,HVUAWZUKQOMFCS-UHFFFAOYSA-N,3,1,0.411,7,535,442.418,2.424,6,0.386,0.69,1.0,0.5502964155986567,0.5219741621547529,0.03175759029538757,0.07197073538482626,0.29399972585840584
EOS-3-22280,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)nc6)nn5)n34)cn2)o1,NNQFUAAWEIGUQB-UHFFFAOYSA-N,3,1,0.315,10,705,440.402,2.932,6,0.38,0.68,1.0,0.02307072853128641,0.15969604550750463,0.2693526831608526,0.2632530326913851,0.1788431224727572
EOS-3-22281,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1,FMHRHNMXARTBSF-UHFFFAOYSA-N,3,1,0.267,98,373,436.443,2.312,6,0.431,0.59,1.0,0.12069940374203277,0.1160561304913988,0.037017682132821604,0.05035638407237338,0.08103240010965664
EOS-3-22282,FCn1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(F)(F)F)nn5)n34)cc2)n1,KGODAAAJIURIKO-UHFFFAOYSA-N,3,1,0.35,61,542,442.34,2.848,5,0.391,0.67,1.0,0.26883010074703584,0.33309060379686106,0.595289904735796,0.5107343567952848,0.4269862415187444
EOS-3-22283,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)cn1,MRQWPPIGHJJCCZ-UHFFFAOYSA-N,3,1,0.385,46,160,448.849,3.718,5,0.375,0.72,1.0,0.6088599136453978,0.6021862792132137,0.48496504694674797,0.4852306216160647,0.545310465355356
EOS-3-22284,c1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nn2)c1,OXAYMDRKAVSESE-UHFFFAOYSA-N,3,1,0.312,42,620,417.436,3.496,6,0.433,0.74,1.0,0.00465184017545062,0.034576108560071275,0.4428072099239257,0.4821036940579809,0.24103471317935712
EOS-3-22285,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)cc1,DPCBGNRLUBYPNP-UHFFFAOYSA-N,3,1,0.56,11,275,446.873,4.662,5,0.377,0.76,1.0,0.862235282023165,0.9348656706188746,0.7565965321088343,0.8241895689123432,0.8444717634158042
EOS-3-22286,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c1,ZALFNQMPRZHLKH-UHFFFAOYSA-N,3,1,0.62,75,166,447.861,4.057,5,0.387,0.67,1.0,0.857463504900281,0.8519292714687136,0.6611095881022548,0.6916249742992255,0.7655318346926188
EOS-3-22287,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)ccn2)cs1,NQINHYBJAIQWKK-UHFFFAOYSA-N,3,1,0.512,24,486,436.888,3.641,5,0.384,0.74,1.0,0.4528219450346104,0.544796449866356,0.25502021794256735,0.2511736686998835,0.37595307038585435
EOS-3-22288,CCn1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)c1C,OHOCSSYTDFCCPY-UHFFFAOYSA-N,3,1,0.6,84,73,425.496,4.0,5,0.392,0.77,1.0,0.35966520457816464,0.2119457199643616,0.255028784867384,0.1983671441299431,0.25625171338496333
EOS-3-22289,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)s1,OEWMPHVJZNTHCZ-UHFFFAOYSA-N,3,1,0.418,46,128,454.878,3.78,5,0.395,0.72,1.0,0.5398362003975054,0.6449952025221026,0.17529641559865672,0.26915564389006924,0.40732086560208347
EOS-3-22290,Cc1cc(-c2cc(F)c(COc3cncc4nnc(-c5ccc(C)nn5)n34)cn2)ccn1,YYNRWCFHNJVIRM-UHFFFAOYSA-N,3,1,0.411,53,587,428.431,3.373,5,0.42,0.63,0.999,0.5976543759851963,0.5083784524707011,0.4316616407374409,0.35278596395038037,0.4726201082859297
EOS-3-22291,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)cn5)c(F)cn4)n23)nc1,IIJKUAWBKUJVJG-UHFFFAOYSA-N,3,1,0.415,46,348,438.426,3.542,5,0.409,0.68,1.0,0.6342522788020012,0.6257110547597834,0.6662069083681722,0.6102306216160647,0.6341002158865054
EOS-3-22292,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(C)n4)n23)ccc1F,VYQWWESTCRQURA-UHFFFAOYSA-N,3,1,0.419,46,775,446.421,3.512,5,0.404,0.66,1.0,0.6119011719553149,0.5591888835583579,0.3654735796038654,0.31175039407854155,0.46207850729901995
EOS-3-22293,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1ccccn1,XUJWQYFKFQQCIH-UHFFFAOYSA-N,3,1,0.526,35,777,442.454,4.018,5,0.376,0.71,1.0,0.9303080666164074,0.8204629566170927,0.6772839421561236,0.579792337742444,0.751961825783017
EOS-3-22294,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cc1Cl,RXJMBIFOCWUWLJ-UHFFFAOYSA-N,3,1,0.466,55,242,434.822,3.41,5,0.387,0.69,1.0,0.8687118771845658,0.8316427935028442,0.5733928449043931,0.570300185045576,0.7110119251593447
EOS-3-22295,Fc1cc(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)nnc1Cl,BGOWMSXDTBSJGB-UHFFFAOYSA-N,3,1,0.494,72,208,440.851,3.471,5,0.409,0.67,1.0,0.5528664930436571,0.659764580906038,0.4570454389692276,0.517562195874169,0.5468096771982729
EOS-3-22296,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ncc(Cl)nn5)n4)n23)cn1,QHIZKWQYMULNOR-UHFFFAOYSA-N,3,1,0.527,87,579,463.864,3.156,5,0.374,0.69,1.0,0.8552618052223974,0.9099273524775546,0.18154170379000753,0.23076725378658078,0.5443745288191351
EOS-3-22297,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nc[nH]n6)n5)n34)cc2)nc1,DRYBAZNDJMAXRJ-UHFFFAOYSA-N,3,1,0.302,38,126,431.463,4.009,6,0.449,0.64,1.0,0.09754300596257967,0.11950003426769927,0.3581574258104311,0.3496590363922966,0.23121487560825166
EOS-3-22298,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccc2F)cn1,PXFNNHKLWLCOHG-UHFFFAOYSA-N,3,1,0.484,37,132,462.876,3.761,5,0.375,0.69,1.0,0.8622438489479817,0.8941213761908026,0.47098382564594615,0.497292851757933,0.6811604756356658
EOS-3-22299,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)cn4)n23)cc1C,WTXDAWLCNOKCDE-UHFFFAOYSA-N,3,1,0.353,62,3,439.45,4.754,5,0.376,0.84,1.0,0.30368891782605717,0.3284558974710438,0.7499314646014666,0.6713127955589062,0.5133472688643684
EOS-3-22300,CCCOc1ncc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cc1Cl,QLNGPJOIELEPKR-UHFFFAOYSA-N,3,1,0.344,61,917,447.89,3.486,5,0.389,0.73,1.0,0.36417997395654855,0.45474093619354394,0.13468062504283462,0.1629514769378384,0.27913825303269135
EOS-3-22301,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ncc(Cl)cn3)n12,OMYULYVQDDPJSD-UHFFFAOYSA-N,3,1,0.562,35,795,447.861,4.057,5,0.387,0.69,1.0,0.8344270440682613,0.9057466931670207,0.6080203550133644,0.6741570145980399,0.7555877767116715
EOS-3-22302,Cc1ncncc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cn3)n12,RZKPFSGYHZEZRM-UHFFFAOYSA-N,3,1,0.234,86,953,449.442,1.599,6,0.386,0.62,0.889,0.09755157288739634,0.04469364676855596,0.016045850181618807,0.016217188677952164,0.043627064628880816
EOS-3-22303,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1F,FBFLYFWRLSMDBS-UHFFFAOYSA-N,3,1,0.56,34,607,453.84,4.097,5,0.398,0.71,1.0,0.769729627852786,0.8385820026043451,0.8903262284970187,0.9024741278870536,0.8502779967103008
EOS-3-22304,Cn1c(Cl)nnc1-c1cnccc1Oc1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,CBWKBVVIJIOZJE-UHFFFAOYSA-N,3,1,0.387,92,36,448.834,1.921,5,0.424,0.6,1.0,0.4767664998971969,0.46359056952916183,0.051247344253306834,0.047683503529573026,0.25982197930230966
EOS-3-22305,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,BDLFHGZSAZIGRV-UHFFFAOYSA-N,3,1,0.595,4,32,417.86,3.819,5,0.432,0.76,1.0,0.5801949832088273,0.7673137550544856,0.6229439380439997,0.6193115619217325,0.6474410595572613
EOS-3-22306,Fc1ccc(Oc2nccnc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,ZSDACGPKZZNGLT-UHFFFAOYSA-N,3,1,0.429,96,243,435.369,4.512,5,0.401,0.74,0.899,0.6003272565279967,0.8087519703927079,0.8399612774998286,0.8055907751353574,0.7636578198889726
EOS-3-22307,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccn6)cn5)n34)nc2)ccn1,VPABSWUUFMWEQM-UHFFFAOYSA-N,3,1,0.323,32,72,447.437,3.906,6,0.375,0.7,1.0,0.22871975875539716,0.3718559385922829,0.5020646288808169,0.5273970255637036,0.4075093379480501
EOS-3-22308,Cn1cnc(C#N)c1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,YMHAIDMJKCMDNB-UHFFFAOYSA-N,3,1,0.427,46,128,443.858,3.086,5,0.406,0.68,0.994,0.5066307998081009,0.5539801932698238,0.40971317935713797,0.41642108148858886,0.47168631348091294
EOS-3-22309,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nccn5C)o4)n23)nc1,FSXBZCRCKCIGRX-UHFFFAOYSA-N,3,1,0.316,80,318,439.439,3.373,6,0.402,0.71,1.0,0.3141576999520252,0.15599513398670414,0.1592248646425879,0.10219484613803029,0.18289313617983688
EOS-3-22310,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c1,GBVHWFVXXFUZIJ-UHFFFAOYSA-N,3,1,0.329,64,885,446.449,4.511,6,0.393,0.74,1.0,0.24772119799876635,0.3380165855664451,0.652414159413337,0.7245048317455967,0.49066419368103625
EOS-3-22311,Cc1nnc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(C(N)=O)cn3)n12,GGICXUZZQSOLPF-UHFFFAOYSA-N,3,1,0.388,33,760,444.419,0.153,5,0.377,0.64,0.696,0.27159721746281956,0.0972431635939963,0.0062024535672674935,0.0019189911589335893,0.09424045644575424
EOS-3-22312,Cc1nc(C)c(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)nc4)n23)cc1Cl,AXXVYRMEYNZLJP-UHFFFAOYSA-N,3,1,0.483,36,728,448.878,2.621,5,0.399,0.67,1.0,0.38953807141388525,0.4146562949763553,0.07317867178397643,0.0812487149612775,0.23965543828387362
EOS-3-22313,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4cncnc4)n3)n12,RYYBSMCGFLTLLJ-UHFFFAOYSA-N,3,1,0.523,4,817,433.834,4.015,5,0.413,0.69,1.0,0.7401566033856487,0.9215441025289562,0.7566050990336509,0.7808409293400042,0.799786683572065
EOS-3-22314,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6cccn6)n5)n34)cc2)cn1,PWNNXDVQENFHCX-UHFFFAOYSA-N,3,1,0.291,38,714,419.452,3.44,6,0.435,0.7,1.0,0.025126790487286683,0.023833184839969844,0.38081694195051746,0.352794530875197,0.19564286203824277
EOS-3-22315,Clc1cccc(CCOc2cncc3nnc(-c4cnc(-c5cncnc5)cn4)n23)n1,DWIMMYVCSVLLEC-UHFFFAOYSA-N,3,1,0.421,18,435,431.847,2.708,5,0.374,0.67,1.0,0.5297529298882873,0.597662942910013,0.21573230073332877,0.26326159961620177,0.4016024432869577
EOS-3-22316,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)n(C)n1,YOCGBYNWTRRYJV-UHFFFAOYSA-N,3,1,0.511,92,185,433.863,2.918,5,0.416,0.66,1.0,0.37104208073469946,0.48526488931533135,0.11471112329518196,0.1424251250771023,0.27836080460557877
EOS-3-22317,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cncnc5)n(C)n4)n23)c1Cl,BJJSEAPAUKGMIP-UHFFFAOYSA-N,3,1,0.396,92,462,433.863,2.918,5,0.416,0.66,1.0,0.3036974847508738,0.3039544924953739,0.29527619765608937,0.29003323966828864,0.29824035364265644
EOS-3-22318,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)cc1,MDIPYZZHCWDAOL-UHFFFAOYSA-N,3,1,0.321,25,508,466.896,3.759,6,0.361,0.74,1.0,0.1870331025974916,0.24271811390583237,0.35066136659584674,0.42286340895072305,0.3008189980124734
EOS-3-22319,Cc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)c(F)c(C)n1,NOKHEKBKACJDOA-UHFFFAOYSA-N,3,1,0.478,97,666,444.445,4.722,5,0.39,0.77,1.0,0.7868634774861216,0.6695308751970392,0.8116561579055582,0.7457508052909327,0.7534503289699129
EOS-3-22320,COc1ncncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)cn1,QWFVKWRYJLSTGJ-UHFFFAOYSA-N,3,1,0.318,42,762,461.489,3.719,6,0.382,0.69,1.0,0.3010417380577068,0.12299533959289974,0.36548214652868205,0.2632701665410184,0.26319734768007674
EOS-3-22321,COc1ccccc1-c1ncccc1-c1nnc2cncc(-c3ncc(-c4cnn(C)c4)cn3)n12,SCGNYXOHFSNEHT-UHFFFAOYSA-N,3,1,0.364,42,106,461.489,3.719,6,0.382,0.69,1.0,0.09283119731341238,0.03138921252827085,0.30975430059625797,0.24519395517784937,0.16979216640394765
EOS-3-22322,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5nncn5C)c4)n23)cn1,BPXFPNYOFJZIMJ-UHFFFAOYSA-N,3,1,0.518,36,250,416.42,3.008,5,0.435,0.76,1.0,0.6119097388801316,0.5497824001096566,0.44990062367212663,0.3883301350147351,0.4999807244191624
EOS-3-22323,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)cn1,SMPNXJJSWJIWTQ-UHFFFAOYSA-N,3,1,0.282,30,301,435.426,3.635,6,0.39,0.69,1.0,0.0046604071002672885,0.09107497772599547,0.47778596395038037,0.557432663970941,0.28273850318689603
EOS-3-22324,Cc1nnc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c2)o1,FXBLJJHPLHWTPG-UHFFFAOYSA-N,3,1,0.459,36,534,447.39,1.757,5,0.406,0.62,1.0,0.43866081831265846,0.3140805976286752,0.14084881091083545,0.10013021725721336,0.24843011102734563
EOS-3-22325,COc1ccccc1-n1cnc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)n1,BJMQUXBEVFINQD-UHFFFAOYSA-N,3,1,0.312,64,144,465.452,3.644,6,0.38,0.72,0.971,0.15391337125625384,0.20714824206702762,0.28078096086628745,0.3208142005345761,0.24066419368103625
EOS-3-22326,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)cn1,APIBCAMZNKCTQL-UHFFFAOYSA-N,3,1,0.467,51,969,430.403,2.249,5,0.404,0.67,1.0,0.6887721883352752,0.6892091015009252,0.4393290384483586,0.37226715098348295,0.5473943698170105
EOS-3-22327,CCn1cncc1-c1cccc(-c2nnc3cncc(COc4cccc(C#N)c4)n23)c1,IERKUJZCOBMASQ-UHFFFAOYSA-N,3,1,0.376,14,18,421.464,4.125,5,0.409,0.78,1.0,0.4067318895209376,0.29413679665547254,0.6934411623603591,0.6249143307518333,0.5048060448221506
EOS-3-22328,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccnnn6)cc5)n34)o2)cc1,BFFSXQMIZGLBEP-UHFFFAOYSA-N,3,1,0.362,93,641,419.408,3.36,6,0.423,0.74,1.0,0.16746624631622234,0.16745767939140566,0.24087622507024878,0.29288602563223903,0.21717154410252892
EOS-3-22329,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nncn5C)c4)n23)cc1,JVKYGVFDYAQHNI-UHFFFAOYSA-N,3,1,0.341,61,124,410.441,2.613,5,0.489,0.82,1.0,0.1592248646425879,0.034584675484887945,0.25503735179220066,0.18218422315125762,0.15775777876773353
EOS-3-22330,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cn(C)nn5)c4)n23)cc1,DDMJNIFYLBYJLG-UHFFFAOYSA-N,3,1,0.341,62,124,410.441,2.613,5,0.489,0.82,1.0,0.11832636556781578,0.0410355698718388,0.295284764580906,0.21042937427181138,0.166269018573093
EOS-3-22331,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(C)n5)n34)c2)cn1,GRCZZHSDNORVCO-UHFFFAOYSA-N,3,1,0.5,15,426,441.47,4.021,5,0.393,0.73,1.0,0.7283342471386471,0.6793400041121239,0.4605921458433281,0.3788122815434172,0.561769669659379
EOS-3-22332,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)c2)s1,RYKYLURNAZCDLF-UHFFFAOYSA-N,3,1,0.575,72,563,433.472,3.774,5,0.402,0.7,1.0,0.7283428140634638,0.7586440271400178,0.2550459187170173,0.2572390514700843,0.49981795284764574
EOS-3-22333,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)ccc1Cl,RCAQMKGAXJSPFT-UHFFFAOYSA-N,3,1,0.603,73,391,423.795,3.608,5,0.422,0.71,1.0,0.8902833938729354,0.869919813583716,0.6747138647111233,0.7000291275443766,0.7837365499280378
EOS-3-22334,Cc1nc(Cl)c(-c2cncc3nnc(-c4cncc(Cl)c4)n23)c(OC(F)(F)F)n1,BVJCREMZEJZGJF-UHFFFAOYSA-N,3,1,0.326,68,861,442.188,4.157,4,0.44,0.64,1.0,0.6314337605373175,0.7317952847645809,0.9218268110479062,0.9137482009457885,0.7997010143238982
EOS-3-22335,Cc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)nn1,TUICOUMJAMTPFF-UHFFFAOYSA-N,3,1,0.398,13,251,433.834,4.537,5,0.411,0.71,1.0,0.5503049825234734,0.6070865602083476,0.7245562332944966,0.743163593996299,0.6562778425056541
EOS-3-22336,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6cncnc6)ncn5)n34)nc2)[nH]1,WZMOZADEJOBTJD-UHFFFAOYSA-N,3,1,0.314,94,165,449.438,2.924,6,0.417,0.63,1.0,0.427403879103557,0.2372781166472483,0.2478754026454664,0.16840860804605579,0.27024150161058186
EOS-3-22337,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c(C(F)(F)F)c1,JFWZZBSTDQUDHA-UHFFFAOYSA-N,3,1,0.562,90,255,423.757,4.577,4,0.45,0.75,1.0,0.8848862312384347,0.9511513946953601,0.9945771365910493,0.9921184291686657,0.9556832979233774
EOS-3-22338,Cn1cnnc1-c1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(C#N)nc4)n23)n1,DEISUSGRGHMXLI-UHFFFAOYSA-N,3,1,0.301,76,935,457.461,2.977,6,0.391,0.64,0.999,0.20645432115687753,0.1332499485984511,0.2054262901788774,0.22783736549928038,0.1932419813583716
EOS-3-22339,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)c(F)n2)s1,HPYJJAPAYLLWKP-UHFFFAOYSA-N,3,1,0.467,4,677,452.45,3.574,5,0.373,0.73,0.665,0.5373260914262217,0.6399492838050853,0.21929614145706258,0.21043794119662806,0.4017523644712494
EOS-3-22340,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)cc4Cl)n23)n1,CFVPFUIDQBCOEC-UHFFFAOYSA-N,3,1,0.511,15,563,445.914,4.17,5,0.39,0.73,1.0,0.6887807552600919,0.6990267973408265,0.43167020766225755,0.41006442327462134,0.5573855458844493
EOS-3-22341,Cc1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n(C)n1,HLVZRAQQTMEUJR-UHFFFAOYSA-N,3,1,0.549,36,534,432.875,3.523,5,0.419,0.65,1.0,0.557869577136591,0.7715372489891029,0.3992101295319032,0.4133284216297718,0.5354863443218423
EOS-3-22342,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1F,RMPWMWPTZREECP-UHFFFAOYSA-N,3,1,0.517,37,639,433.422,3.487,5,0.381,0.68,1.0,0.8644198478514152,0.8008789664861902,0.5952984716606127,0.566976218216709,0.7068933760537317
EOS-3-22343,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)cc1,NFPJNZPMLXBWST-UHFFFAOYSA-N,3,1,0.314,64,365,434.488,4.434,6,0.405,0.74,1.0,0.07668254403399356,0.10712939483243095,0.20543485710369405,0.27498115276540336,0.16605698718388048
EOS-3-22344,Cn1nc(-c2nnc3cncc(OCc4ncnc(Cl)n4)n23)cc1-c1ccc(F)nc1,MOWBUACXURGPQZ-UHFFFAOYSA-N,3,1,0.371,31,694,438.814,2.143,5,0.38,0.68,0.995,0.36200397505311493,0.39082311013638543,0.1623346583510383,0.19311561921732576,0.2770693406894661
EOS-3-22345,Cc1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)nn2)n(C)n1,HCDLZOPTZFEZRE-UHFFFAOYSA-N,3,1,0.333,39,972,464.468,3.553,6,0.389,0.68,0.936,0.12346652045781646,0.20247926804194366,0.19492324035364267,0.25437769858131726,0.19381168185868003
EOS-3-22346,Fc1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c1,IUESZDCVGOWBEP-UHFFFAOYSA-N,3,1,0.622,43,293,422.807,4.213,5,0.419,0.77,1.0,0.9198821191145227,0.8316513604276609,0.8369285861147283,0.8495476663696799,0.8595024330066479
EOS-3-22347,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(F)nn4)c3)n12,FWIXISDJHPZNFN-UHFFFAOYSA-N,3,1,0.495,53,241,431.435,2.446,5,0.403,0.66,1.0,0.402388458638887,0.38153656363511756,0.1466314851620862,0.12495716537591667,0.2638784182030019
EOS-3-22348,Cc1ncc(C)c(-c2ccc(CCOc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)nc2)n1,OPENKEIVPBELFH-UHFFFAOYSA-N,3,1,0.552,15,796,467.489,3.58,5,0.382,0.76,0.956,0.44575423206085946,0.03139777945308752,0.24088479199506546,0.11095881022548146,0.20724890343362348
EOS-3-22349,COc1nc(-c2ccccc2)ccc1-c1nnc2cncc(OCc3ccc(C)nc3)n12,ZHGOIWWBAREKGR-UHFFFAOYSA-N,3,1,0.649,1,347,424.464,4.144,5,0.405,0.77,1.0,0.4990747721197999,0.16746624631622234,0.43933760537317523,0.3086320334452745,0.353627664313618
EOS-3-22350,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)nn6)cn5)n34)nc2)c1,BGOHZFRSJVKSFP-UHFFFAOYSA-N,3,1,0.265,70,392,446.478,3.414,6,0.405,0.64,0.978,0.018041943663902407,0.014769378383935303,0.25505448564183403,0.23077582071139743,0.1296604071002673
EOS-3-22351,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1,ULSJJVLDVOGMON-UHFFFAOYSA-N,3,1,0.274,70,957,432.451,3.106,6,0.418,0.63,1.0,0.02307929545610308,0.021528682064286205,0.28827702008087175,0.29593585086697277,0.15720521211705846
EOS-3-22352,Cc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)n2)ccc1Cl,PESWZMAVVWXOND-UHFFFAOYSA-N,3,1,0.302,8,973,468.912,3.796,6,0.387,0.73,1.0,0.0562589952710575,0.18438592282914126,0.2807895277911041,0.3592197244876979,0.2201635425947502
EOS-3-22353,Clc1cncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,LDWHTLOBIKVVAO-UHFFFAOYSA-N,3,1,0.312,94,723,463.892,4.421,6,0.378,0.76,0.966,0.3434908505242958,0.34799705297786304,0.5535347131793571,0.6102391885408813,0.4638154513055993
EOS-3-22354,Cc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5cc(=O)n(C)cn5)c4)n23)n1,MEPZFSPDFCJHDA-UHFFFAOYSA-N,3,1,0.474,15,684,457.469,3.016,5,0.386,0.68,1.0,0.4386693852374752,0.30890617503940787,0.4097217462819546,0.3496676033171133,0.37674122746898775
EOS-3-22355,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnn5)s4)n23)cc1,LAHONAKDNYHKCB-UHFFFAOYSA-N,3,1,0.306,74,295,459.47,2.607,6,0.425,0.6,1.0,0.10263175930368035,0.09725173051881297,0.2952933315057227,0.2632787334658351,0.18961388869851276
EOS-3-22356,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)cn2)n1,XMKUROOTAWJOAQ-UHFFFAOYSA-N,3,1,0.485,87,304,451.853,3.089,5,0.418,0.67,1.0,0.6857309300253581,0.7411417997395655,0.28449900623672125,0.32713659104927695,0.5096270817627304
EOS-3-22357,Cn1nc(-c2nn[nH]n2)cc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,VANAORDKEMUXLH-UHFFFAOYSA-N,3,1,0.442,36,185,425.363,1.616,5,0.43,0.64,0.926,0.33883901034884517,0.409867384003838,0.19493180727845932,0.15503563840723733,0.27466846000959494
EOS-3-22358,CCc1cc(-c2ccc(C#N)cn2)cc(-c2nnc3cncc(OCc4ccnc(C)n4)n23)n1,GXZXWKUBZRDMPD-UHFFFAOYSA-N,3,1,0.394,33,690,449.478,3.36,5,0.383,0.67,0.999,0.3526060585292303,0.25263861284353367,0.26936125008566925,0.1931241861421424,0.2669325269001439
EOS-3-22359,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ncccn5)n34)nc2)nc1,TUUBNCQMOLWZFR-UHFFFAOYSA-N,3,1,0.28,32,557,443.474,4.076,6,0.401,0.66,1.0,0.08782811322047837,0.08486395723391131,0.26219930093893495,0.26015180590775133,0.17376079432526897
EOS-3-22360,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cccnc1,XRLOCCSMHWAZDC-UHFFFAOYSA-N,3,1,0.506,72,224,445.87,3.884,5,0.388,0.69,1.0,0.6459032965526694,0.639957850729902,0.5826879583304777,0.5239873894866699,0.5981341237749298
EOS-3-22361,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)nc1,XHWKBLZGLOTVBH-UHFFFAOYSA-N,3,1,0.265,86,588,439.374,2.289,6,0.398,0.61,0.997,0.27947022136933725,0.27821945034610374,0.06663354122404222,0.10220341306284696,0.18163165650058252
EOS-3-22362,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c(F)c2)n1,BVPWUQAWNJLFLJ-UHFFFAOYSA-N,3,1,0.595,37,669,434.41,2.882,5,0.379,0.67,1.0,0.77547803440477,0.727126310739497,0.5196610924542526,0.47601261051333016,0.6245695120279624
EOS-3-22363,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cn2)nc(C)n1,VZOZXKZRVICOQB-UHFFFAOYSA-N,3,1,0.455,7,464,430.497,3.604,5,0.417,0.75,1.0,0.3574806387499143,0.34800561990267975,0.06884380782674251,0.035449934891371396,0.20244500034267698
EOS-3-22364,COCc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)cn1,DELRYNBXCPXFKE-UHFFFAOYSA-N,3,1,0.476,7,535,431.481,3.43,5,0.386,0.67,1.0,0.39398430539373586,0.27822801727092045,0.2693698170104859,0.20131416626687684,0.2857240764855048
EOS-3-22365,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5coc(=O)o5)nn4)n23)cc1)N1CCOCC1,CLTWGUVPLWRCMJ-UHFFFAOYSA-N,3,1,0.39,52,229,471.433,1.934,6,0.382,0.73,0.965,0.064962990884792,0.0031611952573504217,0.005191556438900692,0.011128435336851483,0.02111104447947365
EOS-3-22366,COc1ncc(-c2cnc(Cl)nn2)cc1-c1cncc2nnc(-c3cnc(C)cn3)n12,AIDCAXNJTKMWLE-UHFFFAOYSA-N,3,1,0.272,50,828,432.835,2.466,5,0.417,0.6,0.987,0.3688575149064492,0.33802515249126175,0.11161846343636488,0.09810842300047974,0.22915238845863886
EOS-3-22367,COc1cc(-c2ccc(Cl)nn2)ccc1-c1nnc2cncc(-c3cncnc3)n12,RCBQMFAQDSTDIJ-UHFFFAOYSA-N,3,1,0.381,82,478,416.832,3.367,5,0.439,0.72,1.0,0.3939928723185525,0.3089147419642245,0.5365636351175382,0.5107429237201014,0.4375535432801042
EOS-3-22368,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cc2)o1,KLIUNEKGMDSMKZ-UHFFFAOYSA-N,3,1,0.299,38,818,432.447,4.274,6,0.406,0.68,1.0,0.1728719758755397,0.1369251593448016,0.32823315742581044,0.29289459255705574,0.23273122130080187
EOS-3-22369,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(Cl)nn5)n4)n23)cc1,YVFKMZOYQRDOHN-UHFFFAOYSA-N,3,1,0.494,4,32,448.849,3.718,5,0.4,0.65,1.0,0.8510725789870468,0.855116167500514,0.37716743197861696,0.4323469947227743,0.628925793297238
EOS-3-22370,Cn1cnc(-c2cc(F)cc(COc3cncc4nnc(-c5cc(F)cc(Cl)c5)n34)c2)n1,PPWCUJRNQGYXCT-UHFFFAOYSA-N,3,1,0.582,34,439,453.84,4.097,5,0.398,0.67,1.0,0.594955794667946,0.6990353642656432,0.8335532177369611,0.8495562332944966,0.7442751524912616
EOS-3-22371,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1,VXHGMCBQCSFZLI-UHFFFAOYSA-N,3,1,0.482,24,786,416.832,3.271,5,0.43,0.73,1.0,0.654967103008704,0.6990439311904598,0.28079809471592077,0.32082276745939275,0.4889079740936193
EOS-3-22372,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)cn1,JHNBMJLERMTYJG-UHFFFAOYSA-N,3,1,0.462,16,606,427.443,3.978,5,0.419,0.69,1.0,0.6673377424439723,0.5728531286409431,0.6109673771502981,0.49112466588993214,0.5855707285312864
EOS-3-22373,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cc(C)nn5C)n4)n23)cn1,NIBCDXVRSWHVLW-UHFFFAOYSA-N,3,1,0.506,4,677,430.447,3.317,5,0.422,0.68,1.0,0.45737098211226096,0.5040264546638339,0.2845075731615379,0.20726817901446096,0.36329329723802345
EOS-3-22374,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4C)n23)n(C)n1,AEZGYGJUJNVAHW-UHFFFAOYSA-N,3,1,0.451,4,662,430.447,3.317,5,0.422,0.68,0.999,0.3981820985539031,0.42371153450757315,0.20544342402851073,0.16061270646288808,0.29698744088821877
EOS-3-22375,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)nc1,VHRDVZKAXUCQEP-UHFFFAOYSA-N,3,1,0.388,6,843,451.454,2.142,6,0.374,0.63,1.0,0.2037728736892605,0.13325851552326776,0.1378503872250017,0.10437941196628059,0.14481529710095264
EOS-3-22376,CCc1ccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)nn1,DABXOCUJABUICB-UHFFFAOYSA-N,3,1,0.512,36,677,430.447,3.262,5,0.408,0.67,1.0,0.5774364334178603,0.6213419231032828,0.2845161400863546,0.23369714207388115,0.4292479096703447
EOS-3-22377,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cn(C)nn6)cnn5)n34)cc2)n1,MRNYJYNQEBMNTJ-UHFFFAOYSA-N,3,1,0.272,98,63,448.454,2.204,6,0.394,0.63,1.0,0.012216434788568296,0.017733534370502364,0.0915718593653622,0.09014118292097868,0.05291575286135289
EOS-3-22379,FC(F)c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,KKFCDYPALJMAJL-UHFFFAOYSA-N,3,1,0.308,3,158,467.443,4.434,6,0.37,0.79,1.0,0.028767733534370503,0.16365396477280517,0.6636196970735385,0.6945719964361593,0.38765334795421835
EOS-3-22380,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccc(F)cn6)cn5)n34)cn2)o1,VNOASDWQCCAMIR-UHFFFAOYSA-N,3,1,0.333,94,459,451.425,3.808,6,0.394,0.67,1.0,0.3037060516756905,0.4192567336029059,0.3428740319374957,0.3303149201562607,0.3490379343430882
EOS-3-22381,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)c(F)c1,ISEDPXGVAFLTPV-UHFFFAOYSA-N,3,1,0.337,30,220,448.465,4.455,6,0.396,0.71,0.999,0.21756562264409568,0.26295319032280173,0.539844767322322,0.5951271331642793,0.4038726783633747
EOS-3-22382,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4F)n23)c1F,LCQUMPCOVJJUGL-UHFFFAOYSA-N,3,1,0.534,35,161,445.433,3.851,5,0.392,0.68,1.0,0.9037248989102872,0.8782896991296004,0.7220803920224796,0.6683143718730724,0.79310234048386
EOS-3-22383,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCCCC6)cc5)n34)nc2)n1C,JIYPUQSVIFSUGK-UHFFFAOYSA-N,3,1,0.316,52,376,478.56,4.188,6,0.385,0.81,1.0,0.021914193681036254,0.006699335206634227,0.003966486190117195,0.01395552052635186,0.011633883901034883
EOS-3-22384,Cc1c(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)c(F)c2)cnn1C,SDGXPNADLRGGHS-UHFFFAOYSA-N,3,1,0.333,3,774,463.48,4.158,6,0.387,0.71,0.995,0.1320762798985676,0.2941453635802892,0.41303714618600507,0.444888972654376,0.32103694057980947
EOS-3-22385,Fc1cccc(-c2cccnc2-c2nnc3cncc(-c4cccc(-c5nccnn5)n4)n23)c1,YQQZVZKYUATGGI-UHFFFAOYSA-N,3,1,0.327,32,750,447.437,3.906,6,0.4,0.64,1.0,0.23690117195531493,0.3140891645534919,0.37332944966074977,0.4789510657254472,0.350817712973751
EOS-3-22386,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)n[nH]1,UXRLRBKYNOMTNO-UHFFFAOYSA-N,3,1,0.539,47,619,450.865,3.694,5,0.42,0.68,1.0,0.8827959015831677,0.8642313755054486,0.5165084641217189,0.5506819272154068,0.7035544171064354
EOS-3-22387,N#Cc1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccccn1,DMEYAGAXADCFGX-UHFFFAOYSA-N,3,1,0.584,35,161,437.438,3.881,5,0.397,0.67,1.0,0.9628024124460284,0.9469536015351929,0.8072870262490577,0.7785449934891372,0.8738970084298541
EOS-3-22388,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)s4)n23)cn1,RDEVMODHKHMHLC-UHFFFAOYSA-N,3,1,0.312,86,812,427.453,3.365,6,0.421,0.66,0.998,0.1512147899390035,0.1560037009115208,0.0960694948941128,0.10013878418203002,0.12585669248166678
EOS-3-22389,c1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cscn6)nn5)n34)cc2)nc1,AKTMLZUKXFDNMZ-UHFFFAOYSA-N,3,1,0.333,38,608,424.453,2.953,6,0.424,0.66,1.0,0.012225001713384963,0.06358371598930848,0.1204509629223494,0.14733397299705298,0.08589841340552395
EOS-3-22390,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(C)ncn5)nc(C)c4F)n23)nc1,HQRWCMNABGSDEA-UHFFFAOYSA-N,3,1,0.302,33,432,456.445,2.216,5,0.431,0.56,0.966,0.20104002467274348,0.16366253169762182,0.0587348365430745,0.030241244602837364,0.11341965937906928
EOS-3-22391,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)cnn4)n23)cc1F,JTLVTWYYUUXQBH-UHFFFAOYSA-N,3,1,0.671,19,198,430.418,4.148,5,0.403,0.72,1.0,0.8790607223631005,0.7715458159139196,0.8281731889520938,0.8476715098348296,0.8316128092659858
EOS-3-22392,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)c(F)n4)n23)cn1,QZKNANSAPGDCSU-UHFFFAOYSA-N,3,1,0.329,70,812,440.402,2.838,6,0.38,0.66,0.756,0.2765317661572202,0.2782365841957371,0.19494037420327598,0.1983757110547598,0.23702110890274827
EOS-3-22393,COC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)cn5)cn4)n23)nc1,HSTPOIJFNUESBG-UHFFFAOYSA-N,3,1,0.41,7,128,458.413,2.543,5,0.35,0.69,1.0,0.4915701459803989,0.36716126379274894,0.29177232540607223,0.16841717497087247,0.3297302275375231
EOS-3-22394,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,XUDRXPLPKFOYOR-UHFFFAOYSA-N,3,1,0.386,53,602,446.862,2.412,5,0.383,0.61,0.687,0.4815725447193475,0.4994345829620999,0.09382496059214585,0.1157648550476321,0.2976492358303063
EOS-3-22395,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)nc1,NUSYLFZWGMBXEW-UHFFFAOYSA-N,3,1,0.324,32,57,428.459,4.372,6,0.411,0.73,1.0,0.11556781577684874,0.1481049962305531,0.54997943938044,0.5540401617435405,0.3419231032828456
EOS-3-22396,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cn2)nn1,YQXJITZHFCROQF-UHFFFAOYSA-N,3,1,0.333,70,977,454.841,3.409,6,0.39,0.66,1.0,0.30371461860050714,0.31409773147830855,0.2550630525666507,0.31485162086217533,0.29693175587691045
EOS-3-22397,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)ccc2F)cn1,FKMDAZFSIQGEPS-UHFFFAOYSA-N,3,1,0.467,92,394,430.447,3.491,5,0.407,0.69,1.0,0.4133798231786718,0.4767322321979302,0.4097303132067713,0.3238725926941265,0.405928740319375
EOS-3-22398,O=C1OCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,RWPHKNLXWNWIRY-UHFFFAOYSA-N,3,1,0.313,52,821,463.457,3.508,6,0.398,0.74,1.0,0.16480193269823865,0.03140634637790419,0.026180522239736825,0.05036495099719005,0.06818843807826742
EOS-3-22399,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2Cl)n1,UUXXDQPRZXQSPW-UHFFFAOYSA-N,3,1,0.5,37,482,468.308,3.305,5,0.374,0.69,1.0,0.642999109039819,0.7411503666643822,0.2585669248166678,0.35922829141251456,0.5004861729833459
EOS-3-22400,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)ncn5)ncn4)n23)cc1,VJBDGZPYSSXMDK-UHFFFAOYSA-N,3,1,0.542,4,633,451.277,3.924,5,0.371,0.69,1.0,0.8810653827702009,0.9543896922760606,0.6138972654375985,0.6887550544856418,0.7845268487423754
EOS-3-22401,COCc1ncc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cc4Cl)n23)cc1F,QNZLSSHMPPQQLO-UHFFFAOYSA-N,3,1,0.327,82,478,449.877,4.193,5,0.4,0.71,0.984,0.32665684325954353,0.42808066616407375,0.7865807689671716,0.7808494962648208,0.5805419436639024
EOS-3-22402,OCc1cc(-c2nnc3cncc(OCCc4ccc(-c5cncc(F)c5)nc4)n23)ccc1F,LHZLGBFCZNDZIE-UHFFFAOYSA-N,3,1,0.557,35,429,460.444,3.64,5,0.396,0.69,1.0,0.9336148995956411,0.7673223219793023,0.8634089507230485,0.8282331574258104,0.8481448324309506
EOS-3-22403,Cn1cnnc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)nc1,BBUNREVXVYEACH-UHFFFAOYSA-N,3,1,0.368,80,855,466.469,1.751,6,0.356,0.69,1.0,0.3665701459803989,0.2222688643684463,0.033128298266054415,0.020552052635186075,0.16062984031252145
EOS-3-22404,Fc1cnc(F)c(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)ncn4)n23)c1,FAVDODXTRNDQJD-UHFFFAOYSA-N,3,1,0.347,46,971,438.785,3.762,5,0.391,0.68,0.958,0.7725824138167363,0.7318038516893975,0.7013827016654102,0.7405249811527654,0.7365734870810773
EOS-3-22405,Cn1nccc1-c1ccc(F)c(-c2nnc3cncc(-c4nnc(-c5cnccn5)n4C)n23)n1,OTYQUTBBVJZXBJ-UHFFFAOYSA-N,3,1,0.274,99,754,454.433,1.978,6,0.392,0.62,0.899,0.05626756219587417,0.17612740730587348,0.02618908916455349,0.04121547529298883,0.07494988348982248
EOS-3-22406,Fc1ncncc1-c1ccc(-c2cncc3nnc(-c4cccc(-c5cncnc5)n4)n23)cn1,KVAUMBFMCDIIKV-UHFFFAOYSA-N,3,1,0.274,94,165,448.425,3.301,6,0.374,0.66,0.743,0.19276437529984236,0.2886882324720718,0.44990919059694334,0.44818723870879307,0.34488725926941266
EOS-3-22407,Cc1nc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)nc(C2CC(F)(F)C2)n1,YLSMYVLMFQPMDW-UHFFFAOYSA-N,3,1,0.296,36,542,460.452,3.26,6,0.402,0.7,0.995,0.21757418956891234,0.22757179082996368,0.1466400520869029,0.2013227331916935,0.1982771914193681
EOS-3-22408,Cc1cc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)cc(F)c1-c1nncn1C,BNLCQYCGWIQZCT-UHFFFAOYSA-N,3,1,0.34,85,476,450.428,3.958,5,0.403,0.69,1.0,0.357489205674731,0.48527345624014806,0.7297734905078473,0.6626430676444384,0.5587948050167912
EOS-3-22409,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)ccn2)o1,ARLJXCZTXMZPMN-UHFFFAOYSA-N,3,1,0.274,70,957,438.476,4.335,6,0.4,0.71,1.0,0.1127064628880817,0.09108354465081214,0.22636385443081353,0.2482437804125831,0.16959941059557262
EOS-3-22410,N#Cc1ccc(-c2nnc3cncc(OCc4ncccc4-c4ccc(F)cc4)n23)cc1,ZTNAYERSBUXFHN-UHFFFAOYSA-N,3,1,0.578,1,326,422.423,4.443,5,0.416,0.8,1.0,0.9314474676170242,0.9392262353505586,0.8977537523130698,0.8947724624768693,0.9157999794393805
EOS-3-22411,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)ccn2)o1,QPWFWLVOULQALK-UHFFFAOYSA-N,3,1,0.619,11,159,432.871,4.425,5,0.392,0.76,1.0,0.7611027345624015,0.6552155438283873,0.5767082448084435,0.5703087519703927,0.6408338187924063
EOS-3-22412,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)cnc5F)n34)cn2)s1,RQKDWBIPAWTWOR-UHFFFAOYSA-N,3,1,0.404,55,617,455.866,3.175,5,0.393,0.73,0.233,0.5578781440614077,0.6646048934274553,0.10121821670893016,0.14017202385031868,0.365968319512028
EOS-3-22413,C#Cc1ccc(COc2cncc3nnc(-c4ccc(OC)c(-c5ccccn5)c4)n23)cn1,DRLWMHRYZRHMEC-UHFFFAOYSA-N,3,1,0.545,1,61,434.459,3.817,5,0.376,0.75,1.0,0.5553509012404907,0.3432766774038791,0.6908282502912755,0.5208518950037695,0.5275769309848537
EOS-3-22414,COc1ccccc1Oc1cncc2nnc(-c3ccc(F)c(-c4cnn(C)c4C)c3)n12,MNUZEPBAEWOZTQ-UHFFFAOYSA-N,3,1,0.477,13,374,430.443,4.44,5,0.41,0.83,1.0,0.539844767322322,0.5635323144404085,0.7064286203824275,0.5506904941402234,0.5901240490713453
EOS-3-22415,c1ccc(-c2cncnc2-c2nnc3cncc(-c4nc(-c5cccs5)no4)n23)cc1,TTWWLZIKEKFITM-UHFFFAOYSA-N,3,1,0.263,94,77,424.449,4.027,6,0.417,0.74,0.844,0.1620690836817216,0.15601226783633748,0.10633267082448085,0.18219279007607428,0.15165170310465353
EOS-3-22416,COCc1ncc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)c(OC)n1,LYKPTZYAZUYWOS-UHFFFAOYSA-N,3,1,0.28,50,974,427.428,2.255,5,0.398,0.65,0.997,0.3062589952710575,0.15208861627030362,0.08182269892399424,0.050373517922006714,0.14763595709684052
EOS-3-22417,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)[nH]2)cn1,YVLRUWOQQBDFHO-UHFFFAOYSA-N,3,1,0.317,3,787,435.426,3.84,6,0.419,0.69,1.0,0.19828147488177644,0.27824515112055376,0.5092094441779179,0.5669847851415256,0.38818021383044343
EOS-3-22418,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5cc(F)ccn5)n4)n23)nc1,VBJGYVXQSNYIJN-UHFFFAOYSA-N,3,1,0.275,99,813,440.406,1.968,6,0.435,0.6,0.324,0.0812487149612775,0.20248783496676034,0.09607806181892947,0.13340415324515112,0.12830469124802962
EOS-3-22419,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)n1,MHCONOCPCFVGFT-UHFFFAOYSA-N,3,1,0.552,4,610,448.849,3.718,5,0.4,0.64,1.0,0.7895277911041053,0.8316599273524775,0.559831402919608,0.5669933520663423,0.6870031183606333
EOS-3-22420,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1,QQZJPHCTKHRDTA-UHFFFAOYSA-N,3,1,0.297,94,327,429.447,3.767,6,0.417,0.66,0.851,0.10264032622849702,0.055702145157974094,0.35066993352066345,0.4034764580906038,0.2281222157494346
EOS-3-22421,N#Cc1cc(OC(F)F)ccc1-c1nnc2cncc(-c3cccc(-c4ccncc4)n3)n12,GDWFOITWCCNPET-UHFFFAOYSA-N,3,1,0.394,96,121,441.401,4.388,5,0.399,0.72,1.0,0.4767750668220136,0.6450037694469193,0.9288602563223906,0.9105527379891714,0.7402979576451236
EOS-3-22422,Cc1nc(-c2cnc(F)cn2)cc(-c2nnc3cncc(Oc4ncccc4Cl)n23)n1,CRSDMQGRIHQBBQ-UHFFFAOYSA-N,3,1,0.327,46,330,435.81,3.327,5,0.419,0.61,1.0,0.6285638407237338,0.6070951271331643,0.2622078678637516,0.29903707765060655,0.4492259783428141
EOS-3-22423,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)s1,YLUSTAMGSAYPAP-UHFFFAOYSA-N,3,1,0.548,20,846,434.46,3.169,5,0.401,0.67,1.0,0.5861061613323282,0.6841717497087245,0.16234322527585499,0.16842574189568912,0.4002617195531492
EOS-3-22424,OCc1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(F)nc5)n4)n23)cc1F,USJFHPBLXZONTQ-UHFFFAOYSA-N,3,1,0.333,96,155,417.379,3.081,5,0.448,0.7,1.0,0.40674045644575424,0.5040350215886505,0.8281817558769105,0.8222877116030429,0.6403112363785896
EOS-3-22425,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)s5)n34)cc2)n(C)n1,YKVDPYFHEJRKEW-UHFFFAOYSA-N,3,1,0.32,38,193,451.519,4.081,6,0.398,0.71,1.0,0.06888664245082585,0.11023918854088137,0.18807826742512507,0.18486567061887466,0.13801744225892673
EOS-3-22427,Cc1cc(-c2nnc3cncc(Oc4ccc(-c5nncn5C)nc4)n23)ccc1Cl,XGXLQCNLCPSTDG-UHFFFAOYSA-N,3,1,0.455,36,374,418.848,3.736,5,0.438,0.77,1.0,0.545079158385306,0.6597731478308546,0.42052463847577276,0.4417106435473922,0.5167718970598314
EOS-3-22428,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c(-c2cc(F)ccn2)n1,JWXDOQWIXLITAJ-UHFFFAOYSA-N,3,1,0.3,70,957,449.453,3.85,6,0.403,0.66,1.0,0.06679631279555891,0.17162977177712288,0.4742649578507299,0.5107514906449181,0.30586063326708246
EOS-3-22429,CCc1nc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1ncccn1,WTRXMNQFWDPENH-UHFFFAOYSA-N,3,1,0.402,18,116,425.456,2.617,5,0.388,0.67,1.0,0.4792680419436639,0.3330991707216778,0.023199232403536427,0.01739942430265232,0.21324146734288257
EOS-3-22430,FCCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ncccc4Cl)n23)c1,JKKVPQUZFNPLGJ-UHFFFAOYSA-N,3,1,0.404,46,211,450.865,3.647,5,0.373,0.7,0.903,0.3873449386608183,0.33310773764649443,0.38451785347131795,0.432355561647591,0.38433152285655536
EOS-3-22431,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n(C)n2)nn1,OWFLAASTGSPGSC-UHFFFAOYSA-N,3,1,0.318,98,608,447.466,2.809,6,0.401,0.63,1.0,0.04068432595435542,0.05185559591529025,0.07090843670755946,0.06997464190254267,0.05835575011993695
EOS-3-22432,Cc1cc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)n(C)n1,ODNRXKIGMCGQPM-UHFFFAOYSA-N,3,1,0.535,16,446,450.865,3.662,5,0.403,0.67,1.0,0.6003358234528133,0.779890000685354,0.4316787745870742,0.457627989856761,0.5673831471455006
EOS-3-22433,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)n5)nc4)n23)cc1,KCAOFQADRSRUTC-UHFFFAOYSA-N,3,1,0.342,42,762,449.453,3.85,6,0.403,0.65,1.0,0.2608628606675348,0.26811047906243574,0.5055685011308341,0.4760211774381468,0.37764075457473784
EOS-3-22434,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccccn5)c4)n23)cn1,XIPYETIFLBOIGO-UHFFFAOYSA-N,3,1,0.272,70,719,433.439,2.501,6,0.412,0.59,0.987,0.09053526146254541,0.03741176067438832,0.10914262216434789,0.12037386059899938,0.08936587622507025
EOS-3-22435,Cc1ncc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(Cl)c5)cn4CCF)n23)cn1,IPXSKSZCAXXKCV-UHFFFAOYSA-N,3,1,0.3,50,243,452.856,4.182,5,0.397,0.73,1.0,0.2932801041738058,0.3432852443286958,0.4849736138715647,0.5889075457473785,0.4276116270303612
EOS-3-22436,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)nc1,WTFCDGJSIVBEMQ-UHFFFAOYSA-N,3,1,0.529,87,131,430.859,3.313,5,0.404,0.63,1.0,0.7159207730792955,0.7364042903159482,0.3282417243506271,0.36590192584469877,0.5366171783976424
EOS-3-22437,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccc(F)cn5)n4)n23)cc1,SMYSMXOIQQNANE-UHFFFAOYSA-N,3,1,0.314,10,507,454.404,3.169,6,0.399,0.62,0.966,0.05627612912069083,0.22227743129326297,0.3845264203961346,0.4942515934480159,0.2893328935645261
EOS-3-22438,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1=O,BPXKVOFWSDEDBP-UHFFFAOYSA-N,3,1,0.467,97,55,445.87,3.179,5,0.383,0.7,1.0,0.55031354944829,0.4590243986018779,0.5631039681995751,0.547452196559523,0.5299735282023165
EOS-3-22439,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nc1,YNHVQXAUGOIHLS-UHFFFAOYSA-N,3,1,0.476,13,412,421.823,4.172,5,0.433,0.74,1.0,0.7953190322801728,0.8519378383935302,0.7426838462065657,0.7380320060311151,0.781993180727846
EOS-3-22440,Cn1ncc(-c2ncc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)n1,WJGVFKJXKRVDDH-UHFFFAOYSA-N,3,1,0.456,92,185,429.404,0.45,5,0.4,0.64,1.0,0.4338719073401412,0.17613597423069016,0.016054417106435473,0.004960249468850661,0.1577556370365294
EOS-3-22441,Clc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)c1,PWEQLUXVBZZBQH-UHFFFAOYSA-N,3,1,0.318,10,543,465.868,3.211,6,0.382,0.66,0.993,0.13208484682338428,0.22758035775478033,0.24788396957028305,0.39441265163456923,0.25049045644575424
EOS-3-22442,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nn1,DFLZSHVUNFMFSQ-UHFFFAOYSA-N,3,1,0.556,36,212,419.836,2.609,5,0.427,0.68,1.0,0.4891200054828319,0.7133078610102118,0.23378281132204784,0.2929031594818724,0.432278459324241
EOS-3-22443,Cc1cncc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cc5F)c4)n23)n1,AHVGAAJJKDNDPD-UHFFFAOYSA-N,3,1,0.506,73,401,431.406,3.809,5,0.418,0.66,1.0,0.667346309368789,0.6305085326571174,0.7064371873072441,0.6860393393187582,0.6725828421629771
EOS-3-22445,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c(F)cn1,MUYVOTWCWSAJIO-UHFFFAOYSA-N,3,1,0.467,36,788,463.408,1.938,5,0.403,0.61,1.0,0.5861147282571448,0.3089233088890412,0.3619354396545816,0.314860187786992,0.39295841614693994
EOS-3-22446,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1ccnnc1,CAGBSVGPIYZHSF-UHFFFAOYSA-N,3,1,0.684,43,96,441.401,3.977,5,0.407,0.69,1.0,0.9389092591323418,0.9333150572270578,0.9536272359673772,0.9418391474196423,0.9419226749366048
EOS-3-22447,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCCF)c(F)c4)n23)c(F)c1,HVUVVHBAHUONEL-UHFFFAOYSA-N,3,1,0.318,61,648,477.45,3.836,5,0.402,0.76,1.0,0.28769446919333835,0.25754746076348434,0.6747224316359399,0.6337125625385511,0.46341923103282845
EOS-3-22448,Cn1ccnc1-c1cc(F)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3F)n12,IRUYSDUGACRTRM-UHFFFAOYSA-N,3,1,0.333,25,219,470.447,3.328,6,0.389,0.67,1.0,0.22583270509218012,0.36716983071756565,0.4354653553560414,0.5006596532108835,0.3822818860941677
EOS-3-22449,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cn5)n34)cc2)n1C,SGCZMIPTFBRJPA-UHFFFAOYSA-N,3,1,0.316,38,983,463.48,4.158,6,0.387,0.74,1.0,0.33163422657802755,0.28869679939688847,0.4354739222808581,0.3883387019395518,0.3610359125488315
EOS-3-22450,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)c2)c1,PJUKXBVZMDJPNQ-UHFFFAOYSA-N,3,1,0.5,16,980,435.85,3.958,5,0.415,0.67,1.0,0.7098382564594613,0.630517099581934,0.7729936262079364,0.7663456925502021,0.7199236686998836
EOS-3-22451,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)c1,KXVRYLFDIPQMMY-UHFFFAOYSA-N,3,1,0.518,16,526,435.85,3.958,5,0.415,0.67,1.0,0.5166284010691522,0.5357240764855048,0.6438301007470358,0.6539390720307039,0.5875304125830992
EOS-3-22452,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncc(F)cn5)c4)n23)nc1,CDGAYTUOFAAOAK-UHFFFAOYSA-N,3,1,0.392,33,382,444.39,1.25,5,0.404,0.59,0.695,0.5425176478651224,0.23224076485504763,0.10383969570283051,0.07769344116236036,0.2390728873963402
EOS-3-22453,Cn1cncc1-c1ccc(F)c(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c1,OQWOAFOZRDZAHI-UHFFFAOYSA-N,3,1,0.528,26,265,451.412,3.626,5,0.392,0.68,1.0,0.837091357686245,0.7271348776643136,0.8574549379754643,0.8303149201562607,0.8129990233705711
EOS-3-22454,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)c(F)c1,JBLDMUIWXUJOTK-UHFFFAOYSA-N,3,1,0.482,51,969,414.404,3.065,5,0.432,0.81,1.0,0.7401651703104654,0.8128041258309917,0.42450825851552326,0.38834726886436843,0.5914562058803372
EOS-3-22455,Fc1cc(-c2ccccn2)ccc1-c1cncc2nnc(-c3cncnc3-c3ccncc3)n12,QPTKWFMTUHDSAJ-UHFFFAOYSA-N,3,1,0.316,32,515,446.449,4.511,6,0.393,0.72,0.997,0.2905386882324721,0.3578404495922144,0.6852597491604414,0.7165547255157289,0.5125484031252142
EOS-3-22456,Cc1cnccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)n1,ZJSUHYIXAFSXQA-UHFFFAOYSA-N,3,1,0.279,8,890,436.443,1.933,6,0.407,0.58,1.0,0.01622575560276883,0.02153724898910287,0.03176615722020423,0.03545850181618806,0.026246915907066
EOS-3-22457,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)ccn1,HNHKPCACJRGOIA-UHFFFAOYSA-N,3,1,0.512,16,446,453.293,3.868,5,0.399,0.69,1.0,0.5949643615927627,0.7318124186142142,0.5165170310465356,0.6162703036118155,0.6148910287163319
EOS-3-22458,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)c1,IYERPUQJMSSAFK-UHFFFAOYSA-N,3,1,0.433,87,207,448.849,3.452,5,0.389,0.64,1.0,0.6430076759646357,0.645012336371736,0.5431773010760057,0.6307741073264341,0.615492855184703
EOS-3-22459,Fc1ccc(-c2ccnnc2)cc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,NENJOPMMEAAGJB-UHFFFAOYSA-N,3,1,0.494,72,482,448.849,3.452,5,0.389,0.64,1.0,0.772590980741553,0.8699283805085326,0.5598399698444246,0.62492289767665,0.70682055719279
EOS-3-22460,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)c1,FCNOIPLXPSDLMZ-UHFFFAOYSA-N,3,1,0.506,15,921,449.877,4.001,5,0.389,0.67,1.0,0.697596120896443,0.6552241107532041,0.5859176889863614,0.6072150640805977,0.6364882461791516
EOS-3-22461,Cc1cnc(C(F)F)cc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3F)n12,GQTPOIMUMQNASD-UHFFFAOYSA-N,3,1,0.294,96,315,423.358,4.288,5,0.426,0.72,0.974,0.3735264889315331,0.49467993968884927,0.8677352477554657,0.8165393050510589,0.6381202453567267
EOS-3-22462,Cc1ncc(-c2nnc3cncc(OCc4cccc(-c5c(C#N)nn(C)c5C)c4)n23)cn1,DGMZPBBXQXPHII-UHFFFAOYSA-N,3,1,0.451,92,986,437.467,3.049,5,0.411,0.71,1.0,0.3596737715029813,0.21195428688917825,0.2585754917414845,0.17379720375573984,0.25100018847234595
EOS-3-22463,Cn1ncnc1-c1ncsc1COc1cncc2nnc(-c3cc(Cl)ccc3F)n12,JCLCLTJTJGUGNZ-UHFFFAOYSA-N,3,1,0.466,36,446,442.867,3.415,5,0.411,0.66,1.0,0.48912857240764857,0.5781474881776437,0.19135939962990886,0.3271451579740936,0.39644515454732365
EOS-3-22464,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ccccn5)c4)n23)cn1,KWBZFWHFCGGMKL-UHFFFAOYSA-N,3,1,0.31,32,522,465.908,4.364,6,0.381,0.76,1.0,0.24772976492358303,0.3622267150983483,0.4639161126721952,0.5443938043999725,0.4045665992735248
EOS-3-22465,Cn1ccnc1-c1cc(F)c(-c2nnc3cncc(OCCc4ccncc4)n23)cc1Cl,WKTFSZNCAOAKAY-UHFFFAOYSA-N,3,1,0.595,35,393,449.877,4.001,5,0.389,0.68,1.0,0.7342539921869645,0.7842077307929546,0.6908368172160921,0.6887636214104585,0.7245155404016174
EOS-3-22466,CCc1nnc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)o1,GATXWGXYWDPAOM-UHFFFAOYSA-N,3,1,0.451,51,196,434.847,3.426,5,0.396,0.66,1.0,0.5091923103282846,0.5591974504831746,0.09867384003837983,0.12038242752381605,0.32186150709341377
EOS-3-22467,Fc1cncc(-c2ccnc(-c3nnc4cncc(Cc5cccc(Cl)c5)n34)c2)c1,DNZWLFZRFFIVML-UHFFFAOYSA-N,3,1,0.389,14,358,416.847,4.632,5,0.427,0.86,1.0,0.30372318552532385,0.3380337194160784,0.8589027482694812,0.9117264066890549,0.6030965149749845
EOS-3-22468,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)nc1,XRHYDFCTRSVMGS-UHFFFAOYSA-N,3,1,0.243,94,566,433.439,2.501,6,0.412,0.62,0.996,0.02877630045918717,0.017742101295319033,0.21930470838187924,0.1902799671030087,0.11402576930984853
EOS-3-22469,Cn1nncc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cn1,ICKWOJLZJIAKRM-UHFFFAOYSA-N,3,1,0.301,70,114,433.439,2.501,6,0.412,0.62,1.0,0.03629806044822151,0.028596395038037146,0.10634123774929752,0.12496573230073332,0.07405035638407237
EOS-3-22470,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cn5)n34)n2)n1,JJLRELVTSJMOPV-UHFFFAOYSA-N,3,1,0.284,76,387,451.429,2.64,6,0.372,0.65,0.999,0.09054382838736207,0.18035090124049072,0.15923343156740458,0.20727674593927764,0.15935122678363373
EOS-3-22471,FC(F)n1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nc1,LQKCGPJVXMLUIO-UHFFFAOYSA-N,3,1,0.314,94,342,469.419,3.359,6,0.374,0.7,0.771,0.1982900418065931,0.2681190459872524,0.2808066616407374,0.3399612774998287,0.2717942567336029
EOS-3-22472,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnn(C(F)F)c5)n4)n23)cc1,DNJHJWANTUJJHH-UHFFFAOYSA-N,3,1,0.294,98,890,461.4,1.821,6,0.377,0.65,1.0,0.014572339113151943,0.08487252415872798,0.10634980467411417,0.11577342197244878,0.08039202247961072
EOS-3-22474,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(F)c5)ncn4)n23)nc1,PBGLARDFLWZIJB-UHFFFAOYSA-N,3,1,0.393,33,344,482.479,3.254,6,0.375,0.83,1.0,0.38954663833870196,0.2629617572476184,0.21931327530669592,0.2691642108148859,0.28524647042697554
EOS-3-22475,Cn1cc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)ccc2F)cn1,HUMRRDXJKLCYDQ-UHFFFAOYSA-N,3,1,0.55,34,623,436.397,4.188,5,0.413,0.68,1.0,0.7754866013295867,0.7884483585772051,0.9468336645877595,0.9376584881091083,0.8621067781509149
EOS-3-22476,Cc1cc(-c2cncnc2)cc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)n1,VUUOCHBKFGUEJY-UHFFFAOYSA-N,3,1,0.381,51,435,429.419,2.502,5,0.401,0.63,1.0,0.5219313275306696,0.45903296552669454,0.17839764238229044,0.16843430882050578,0.3319490610650401
EOS-3-22477,Cc1ccc(-c2ccncc2-c2nnc3cncc(COc4cccc(Cl)c4)n23)nc1,NLYBXWFXEKDCQW-UHFFFAOYSA-N,3,1,0.411,14,189,428.883,4.789,5,0.4,0.79,1.0,0.4891371393324652,0.5040435885134672,0.7194503461037626,0.7405335480775821,0.6132911555068192
EOS-3-22478,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccn4)s3)n12,JMUWDQFQPOSLGR-UHFFFAOYSA-N,3,1,0.315,76,979,436.504,4.377,6,0.408,0.73,0.991,0.024175861832636557,0.0814371873072442,0.0986824069631965,0.15787985744637106,0.09054382838736208
EOS-3-22479,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cc5F)cnn4)n23)nc1,OKIMBRDONRBGKX-UHFFFAOYSA-N,3,1,0.411,46,128,432.394,3.204,5,0.417,0.62,1.0,0.5719364676855596,0.5401874443149887,0.5020731958056336,0.48816050990336507,0.5255894044273868
EOS-3-22480,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4)n23)n1,RBPPEWZUTAVQDD-UHFFFAOYSA-N,3,1,0.489,58,579,450.865,3.396,5,0.391,0.69,1.0,0.6119183058049482,0.6354345144267014,0.3135237475155918,0.39442121855938594,0.4888244465766568
EOS-3-22481,COc1cc(-c2nccc(C)n2)ccc1-c1nnc2cncc(OCc3cccc(C)n3)n12,CULHXLRGYWSGIU-UHFFFAOYSA-N,3,1,0.5,4,61,439.479,3.848,5,0.393,0.71,1.0,0.4003066959084367,0.14433554931121925,0.3392844904393119,0.1738057706805565,0.2644331265848811
EOS-3-22482,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2Cl)c[nH]1,IRSKYCNPXKXPAG-UHFFFAOYSA-N,3,1,0.582,11,275,444.886,3.331,5,0.414,0.76,1.0,0.8884843396614351,0.7757007744500034,0.48498218079638133,0.4852391885408814,0.6586016208621753
EOS-3-22483,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cccnn5)cn4)n23)cc1,ADHZBXOOHNYGLG-UHFFFAOYSA-N,3,1,0.346,74,333,409.413,2.065,5,0.478,0.84,1.0,0.19536015351929273,0.048257487492289766,0.15296244260160372,0.10014735110684668,0.12418185868000822
EOS-3-22484,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)nc5)n4)n23)cc1,BXIYCMVSFXDVEJ-UHFFFAOYSA-N,3,1,0.312,8,42,466.896,3.759,6,0.361,0.72,1.0,0.19829860873140978,0.24779830032211636,0.33929305736412857,0.40348502501542044,0.2972187478582688
EOS-3-22485,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)nn4)n23)c(Cl)c1,XJAZSYVGYWXFSD-UHFFFAOYSA-N,3,1,0.329,98,63,456.857,3.352,6,0.392,0.68,0.999,0.25532006031115073,0.2782537180453704,0.2337913782468645,0.3055136728120074,0.26821970735384826
EOS-3-22486,c1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccncc5)n4)n23)cc1,VBQTVRCSHRQSQI-UHFFFAOYSA-N,3,1,0.291,10,342,419.412,2.286,6,0.423,0.69,0.995,0.009320814200534577,0.011308340758001507,0.05874340346789116,0.10438797889109726,0.04594013432938113
EOS-3-22487,Clc1cnc(CCc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)nc1,NPONTXCXUABZSV-UHFFFAOYSA-N,3,1,0.382,75,525,449.305,4.13,5,0.373,0.74,1.0,0.3341957370982112,0.40987595092865464,0.3917997395654856,0.5474607634843397,0.42083304776917274
EOS-3-22488,FC(F)(F)c1ccc(-c2cc(-c3nnc4cncc(OCc5nccs5)n34)ncn2)cn1,XEMJTNIABAHYKZ-UHFFFAOYSA-N,3,1,0.517,27,238,456.413,3.698,5,0.394,0.7,0.999,0.5015677472414503,0.5357326434103215,0.7662685902268521,0.5921715441025289,0.5989351312452882
EOS-3-22489,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)nc1,RDLWOORVXYLPNR-UHFFFAOYSA-N,3,1,0.359,93,74,448.465,4.455,6,0.396,0.72,1.0,0.1292834624083339,0.30396305942019053,0.6962596806250428,0.7326691110958811,0.4655438283873621
EOS-3-22490,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)cn2)n1,XYYFVBRDHWLFAJ-UHFFFAOYSA-N,3,1,0.359,32,20,448.465,4.455,6,0.396,0.72,1.0,0.12347508738263313,0.30893187581385784,0.6688369542868892,0.6713213624837229,0.44314131999177575
EOS-3-22491,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)ncn2)no1,RYJXUGXZBLKIKK-UHFFFAOYSA-N,3,1,0.458,7,463,447.39,1.757,5,0.406,0.64,1.0,0.4716092111575629,0.3671783976423823,0.11471969021999863,0.0795438969227606,0.2582627989856761
EOS-3-22492,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)nn5)n34)nc2)n1,AOTBUKDJHNCQMG-UHFFFAOYSA-N,3,1,0.35,52,229,480.492,1.881,6,0.375,0.78,1.0,0.018941470769652524,0.00030840929340004113,0.0018761565348502502,0.0024844081968336644,0.00590261119868412
EOS-3-22493,Cn1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cncn6C)nc5)n34)c2)n1,VFNAWXZIVGPJJF-UHFFFAOYSA-N,3,1,0.275,99,286,437.431,1.234,6,0.395,0.62,0.696,0.06889520937564252,0.04104413679665547,0.0317747241450209,0.030249811527654033,0.04299097046124323
EOS-3-22494,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1-c1ccccc1F,VTGFBRAQFJLRPX-UHFFFAOYSA-N,3,1,0.429,95,965,437.385,3.583,5,0.418,0.64,1.0,0.5190871084915358,0.41466486190117197,0.8094801590021246,0.8183469261873758,0.640394763895552
EOS-3-22495,Cc1cccnc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,ZHAXNFJSGORMDT-UHFFFAOYSA-N,3,1,0.489,72,418,429.871,4.184,5,0.413,0.71,1.0,0.5605767253786581,0.6071036940579809,0.4883918168734151,0.49426016037283255,0.5375830991707217
EOS-3-22496,Cc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3ncc(F)cc3F)n12,ARMRHUNPTWGSTC-UHFFFAOYSA-N,3,1,0.446,7,526,434.41,3.147,5,0.419,0.64,0.989,0.5503221163731067,0.4899081625659653,0.3654907134534987,0.33350181618806113,0.434805702145158
EOS-3-22497,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,JKKKKKYGJUUCLZ-UHFFFAOYSA-N,3,1,0.286,38,7,420.44,3.039,6,0.466,0.66,1.0,0.07669111095881022,0.08488109108354465,0.302583784524707,0.27204269755328625,0.18404967103008704
EOS-3-22498,Cn1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)c(F)c5)n34)n2)n1,FUFIBYXEKACXHW-UHFFFAOYSA-N,3,1,0.326,98,259,453.445,2.583,6,0.4,0.62,1.0,0.21205708998697828,0.34329381125351244,0.14370159687478581,0.16572716057843875,0.2161949146734288
EOS-3-22499,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nc2C)n1,ULLHQDFVNAMMLQ-UHFFFAOYSA-N,3,1,0.371,7,94,446.862,2.678,5,0.397,0.62,1.0,0.45737954903707767,0.4852820231649647,0.0731872387087931,0.07595435542457679,0.27295079158385305
EOS-3-22500,Cc1c(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)ccn2)cnn1C,FMUUAUUZGVANIE-UHFFFAOYSA-N,3,1,0.311,38,57,444.502,4.624,6,0.394,0.76,1.0,0.06680487972037558,0.048266054417106435,0.4814783085463642,0.4417192104722089,0.2595671132890138
EOS-3-22501,CCn1nc(-c2cccc(C(F)F)n2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,LRSKLXNCGIRPAI-UHFFFAOYSA-N,3,1,0.346,74,333,475.463,3.429,5,0.4,0.72,0.329,0.17544205332054005,0.18035946816530737,0.1654273182098554,0.12497429922554999,0.1615507847303132
EOS-3-22502,Cc1ncnc(-c2cccc(F)c2)c1-c1nnc2cncc(-c3ccc(-c4cn(C)nn4)cc3)n12,JSJSSBMVNOGSBP-UHFFFAOYSA-N,3,1,0.345,9,764,463.48,4.158,6,0.387,0.72,1.0,0.07290453018984305,0.23728668357206498,0.4205332054005894,0.4670430402302789,0.29944186484819413
EOS-3-22504,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,PDAYTPKRGNFPSP-UHFFFAOYSA-N,3,1,0.618,40,300,415.844,3.876,5,0.43,0.77,1.0,0.7640754574737852,0.7673308889041189,0.5666506750736755,0.5734099787540264,0.6678667500514016
EOS-3-22505,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccsc5)n4)n23)c(F)c1,MSNBGAWARYHFOH-UHFFFAOYSA-N,3,1,0.518,73,446,422.42,4.167,5,0.423,0.76,1.0,0.7697381947776026,0.8316684942772942,0.6747309985607566,0.7000376944691933,0.7440438455212117
EOS-3-22506,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncnc(-c5cccs5)n4)n23)c1,GIUOSWQQJXNBGD-UHFFFAOYSA-N,3,1,0.318,39,136,453.466,3.968,6,0.395,0.7,0.941,0.21461860050716194,0.2887053663217052,0.16235179220067164,0.26917277773970255,0.23371213419231035
EOS-3-22507,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cc1,RYLVDXOAEZYATP-UHFFFAOYSA-N,3,1,0.357,39,527,449.438,2.295,6,0.386,0.64,0.968,0.024184428757453226,0.01936125008566925,0.055119594270440685,0.06168185868000822,0.040086782948392845
EOS-3-22508,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)n(C)n1,HHUKYFXYJJUQKM-UHFFFAOYSA-N,3,1,0.628,13,15,419.395,3.966,5,0.438,0.75,1.0,0.5140240559248852,0.494688506613666,0.608028921938181,0.6072236310054143,0.5559912788705367
EOS-3-22509,FC(F)c1cc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)ccc1Cl,NGBDISDJIZRQFR-UHFFFAOYSA-N,3,1,0.395,66,225,440.763,4.782,4,0.427,0.74,1.0,0.5066393667329175,0.6695394421218559,0.9941744911246659,0.9898995956411486,0.790063223905147
EOS-3-22510,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4c(F)cc(F)cc4F)n23)c1,LNZFNAFYJBZZKQ-UHFFFAOYSA-N,3,1,0.482,2,422,437.385,3.583,5,0.418,0.63,1.0,0.6258138578575835,0.5781560551024604,0.844801590021246,0.8183554931121925,0.7167817490233706
EOS-3-22512,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)c1,LLXWVDJRSAPUMY-UHFFFAOYSA-N,3,1,0.471,26,846,432.875,3.257,5,0.406,0.64,1.0,0.5450877253101227,0.5266003015557535,0.28828558700568846,0.3238811596189432,0.42096369337262696
EOS-3-22513,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncn(C)n5)cc4F)n23)c(Cl)n1,UWORCAUVXNATGC-UHFFFAOYSA-N,3,1,0.483,36,610,450.865,3.662,5,0.377,0.71,1.0,0.5861232951819615,0.7039527791104105,0.5365722020423549,0.5074275238160509,0.5835189500376945
EOS-3-22514,CC(=O)N1CC=C(c2cnc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)cn2)CC1,PTNPIBYQSTUUBL-UHFFFAOYSA-N,3,1,0.522,63,792,457.494,2.288,5,0.468,0.65,1.0,0.29054725515728874,0.048274621341923105,0.01939551778493592,0.01981529710095264,0.09450817284627511
EOS-3-22515,Cn1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,LSYCCIAJAXODGQ-UHFFFAOYSA-N,3,1,0.573,4,32,417.86,3.819,5,0.432,0.75,1.0,0.5891131519429785,0.7927917894592557,0.6109759440751148,0.607232197930231,0.650028270851895
EOS-3-22516,COc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4cnco4)cn3)n12,GAYYVGDXBVMOPU-UHFFFAOYSA-N,3,1,0.413,46,119,435.831,3.477,5,0.395,0.69,0.996,0.542526214789939,0.5127989856761017,0.409738880131588,0.3430967719827291,0.45204021314508946
EOS-3-22517,COCc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,BQCVNKUEPAJXHO-UHFFFAOYSA-N,3,1,0.568,35,234,457.469,3.55,5,0.349,0.72,1.0,0.5528750599684737,0.5219827290795696,0.529812898362004,0.46066068124186144,0.5163328421629771
EOS-3-22518,FC(F)(F)c1ncc(COc2cncc3nnc(-c4cnc(-c5ccsc5)cn4)n23)cn1,RYOAAKWDMGAPRF-UHFFFAOYSA-N,3,1,0.398,7,48,456.413,3.698,5,0.394,0.67,1.0,0.7313755054485642,0.5681755876910424,0.6747395654855733,0.4911332328147488,0.6163559728599822
EOS-3-22519,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccnn5)c4)n23)cn1,BXKUWZFSLQYISX-UHFFFAOYSA-N,3,1,0.473,92,879,440.427,1.372,5,0.411,0.62,1.0,0.5015763141662669,0.202496401891577,0.08183126584881091,0.0387739017202385,0.20616947090672336
EOS-3-22520,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnc(C#N)c(Cl)c5)c4)n23)nn1,VPWJPEUXHFTETP-UHFFFAOYSA-N,3,1,0.38,53,587,455.869,3.451,5,0.391,0.66,1.0,0.7070540058940443,0.6695480090466726,0.4884003837982318,0.4699900623672127,0.5837481152765404
EOS-3-22521,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cncc(C#N)c5)n34)ccn2)cs1,MHJFRNKHWULEOA-UHFFFAOYSA-N,3,1,0.518,75,583,440.492,3.506,5,0.394,0.72,1.0,0.7725995476663697,0.5357412103351381,0.3506785004454801,0.2990456445754232,0.48951622575560283
EOS-3-22522,Cc1ccc(-c2nnc3cncc(OCc4cc(C#N)cc(-c5ccccc5F)n4)n23)cc1,CRTQGGVPJHRWKE-UHFFFAOYSA-N,3,1,0.528,1,347,436.45,4.752,5,0.395,0.81,1.0,0.9069203618669043,0.9159841683229388,0.8811082173942841,0.8629634706325817,0.8917440545541773
EOS-3-22523,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cn4)n23)nn1,HANYMWIPSFZQDV-UHFFFAOYSA-N,3,1,0.255,39,114,452.417,2.035,6,0.39,0.63,0.176,0.11557638270166541,0.16367109862243848,0.044291001302172575,0.07770200808717703,0.10031012267836337
EOS-3-22524,FCc1cc(-c2nnc3cncc(OCc4ncnc(-c5cccnn5)n4)n23)ccc1Cl,OTTCBCIVNSUBTE-UHFFFAOYSA-N,3,1,0.447,36,839,449.837,3.135,5,0.385,0.66,0.995,0.755131587965184,0.8754026454663834,0.3097628675210746,0.36900315262833255,0.5773250633952436
EOS-3-22526,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2F)n[nH]1,POVIZHNTMAOXRS-UHFFFAOYSA-N,3,1,0.484,97,91,449.833,3.308,5,0.41,0.69,1.0,0.8462579672400795,0.7318209855390309,0.7751781920361867,0.785278596395038,0.7846339353025837
EOS-3-22527,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)c1F,KSYLXJIGITXMRZ-UHFFFAOYSA-N,3,1,0.44,59,910,435.369,3.64,5,0.389,0.69,1.0,0.8828044685079843,0.805085326571174,0.7884312247275718,0.783034062093071,0.8148387704749502
EOS-3-22528,c1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)cn1,GXGHWOIBTMOSQC-UHFFFAOYSA-N,3,1,0.379,80,584,450.426,1.797,6,0.394,0.62,1.0,0.4067490233705709,0.38613700226166814,0.11162703036118155,0.08638030292646151,0.2477233397299705
EOS-3-22529,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5cccnc5-c5cccc(F)c5)n34)cn2)n1,KWEKKRYYELWGRK-UHFFFAOYSA-N,3,1,0.361,10,167,451.429,2.64,6,0.398,0.61,1.0,0.20378144061407716,0.24272668083064902,0.12332088273593311,0.20133130011651018,0.19279007607429238
EOS-3-22530,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ncn4)n23)cn1,FQJDIMMLVCNPNL-UHFFFAOYSA-N,3,1,0.449,4,354,443.402,1.855,5,0.388,0.63,1.0,0.4690648344870125,0.32846446439586047,0.2443029949969159,0.17641868274964018,0.3045627441573573
EOS-3-22531,Cn1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)nc1CO,BAMLCYRORLHJPM-UHFFFAOYSA-N,3,1,0.319,82,974,428.416,0.635,5,0.409,0.68,0.786,0.13978651223356864,0.11024775546569804,0.014683709135768625,0.007615996162017682,0.06808349324926324
EOS-3-22532,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)cn1,FTCNMKMWBVYXLO-UHFFFAOYSA-N,3,1,0.269,94,342,433.439,2.501,6,0.412,0.61,0.936,0.0579638133095744,0.026206223014186826,0.09608662874374614,0.14018059077513537,0.08010931396066068
EOS-3-22533,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cn2)n1,BBZGIYZCOQRYPX-UHFFFAOYSA-N,3,1,0.304,86,968,433.439,2.501,6,0.412,0.61,1.0,0.11833493249263244,0.06721609211157563,0.1147282571448153,0.10635837159893084,0.10165941333698857
EOS-3-22534,Fc1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cn1,ZBSVPXZHPDOQIJ-UHFFFAOYSA-N,3,1,0.39,85,81,433.397,4.311,5,0.384,0.74,0.698,0.3961089027482695,0.5219912960043863,0.895269344116236,0.8562812692755808,0.6674127030361181
EOS-3-22535,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cc1,RGFSTBWVHLCHPO-UHFFFAOYSA-N,3,1,0.354,3,115,453.897,4.093,6,0.399,0.67,1.0,0.05108457268179015,0.21196285381399493,0.4393461722979919,0.5175707627989857,0.30499109039819067
EOS-3-22536,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)ncn4)n23)ccn1,NCYNOPPRHQQYBP-UHFFFAOYSA-N,3,1,0.396,46,565,434.822,3.41,5,0.387,0.66,1.0,0.6613837296963881,0.6119697073538483,0.6611181550270715,0.6713299294085395,0.6514503803714619
EOS-3-22537,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)cs1,MQMIGKYOZMLJFH-UHFFFAOYSA-N,3,1,0.561,55,786,435.9,4.246,5,0.381,0.8,1.0,0.6229525049688164,0.6743283530943732,0.4245168254403399,0.4067233225961209,0.5321302515249127
EOS-3-22538,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccs5)n4)n23)cc1,TWJBSNYCEXHIKB-UHFFFAOYSA-N,3,1,0.359,62,423,412.478,3.941,5,0.483,0.81,1.0,0.1483106024261531,0.10713796175724762,0.3545507504626139,0.28098656706188746,0.22274647042697554
EOS-3-22539,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)c(F)c2)cn1,PRBMAARRQFBSKI-UHFFFAOYSA-N,3,1,0.477,16,256,435.444,3.432,5,0.4,0.68,1.0,0.7463504900280995,0.7543948324309506,0.4463624837228429,0.34967617024193,0.5741959941059558
EOS-3-22540,N#Cc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)c(F)c1,HLAJXVAPWCCMNZ-UHFFFAOYSA-N,3,1,0.34,82,204,476.475,3.818,6,0.409,0.75,0.984,0.2553286272359674,0.29892570762798987,0.43168734151189087,0.5107600575697347,0.3741754334863957
EOS-3-22541,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)cc1,HGBYFXBATKOSEJ-UHFFFAOYSA-N,3,1,0.43,89,398,482.479,3.254,6,0.351,0.89,1.0,0.4939688849290659,0.28343670755945444,0.2917808923308889,0.29004180659310536,0.33980707285312867
EOS-3-22542,CCc1cccc(-c2nnc3cncc(Oc4ccc(-c5nccc(CO)n5)nn4)n23)n1,QFWBJGCIHVCRJD-UHFFFAOYSA-N,3,1,0.354,53,587,427.428,2.28,5,0.429,0.65,0.41,0.35049859502433006,0.2322493317798643,0.055128161195257354,0.03436193543965458,0.16805950585977658
EOS-3-22543,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)nn1,CNIJAAIPSHAUKU-UHFFFAOYSA-N,3,1,0.633,59,483,447.861,4.323,5,0.396,0.72,1.0,0.8772016996778836,0.8965029812898362,0.7566136659584676,0.7534524707011171,0.8209427044068262
EOS-3-22544,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)cn1,MACXZONDBKBDOD-UHFFFAOYSA-N,3,1,0.517,2,969,447.861,4.323,5,0.396,0.72,1.0,0.8790692892879172,0.9348742375436914,0.8094887259269412,0.7900846412171887,0.8533792234939346
EOS-3-22545,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nc2)n1,BXYOAAPQBGMFIB-UHFFFAOYSA-N,3,1,0.415,46,122,430.859,3.579,5,0.39,0.68,1.0,0.4891457062572819,0.5401960112398053,0.35816599273524774,0.35577582071139746,0.4358208827359331
EOS-3-22546,Cc1ccncc1CCOc1cncc2nnc(-c3cc(-c4cncc(Cl)c4)cnn3)n12,LYNBFJDPAOUCLB-UHFFFAOYSA-N,3,1,0.426,65,466,444.886,3.622,5,0.391,0.67,1.0,0.6088684805702145,0.6021948461380303,0.44991775752176,0.47895963265026387,0.5349851792200672
EOS-3-22547,Cc1nc(-c2nncn2C)ccc1-c1cncc2nnc(-c3cnc(-c4cnn(C)c4)cn3)n12,OOCQPBNGZIXOII-UHFFFAOYSA-N,3,1,0.243,99,286,450.47,2.148,6,0.396,0.61,0.995,0.04359708039202248,0.01619148790350216,0.0512559111781235,0.039964704269755326,0.03775229593585087
EOS-3-22548,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4Cl)n23)cc1,ITZHJAOFHYRIRO-UHFFFAOYSA-N,3,1,0.384,62,341,455.905,5.264,6,0.39,0.9,1.0,0.26358714275923517,0.24780686724693304,0.6313823589884175,0.7431721609211157,0.4714871324789254
EOS-3-22549,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cn1,HXGPGQUAVCQFLS-UHFFFAOYSA-N,3,1,0.432,51,48,431.847,2.974,5,0.413,0.62,1.0,0.6035227194846138,0.664613460352272,0.18808683434994175,0.187487149612775,0.41092754094990064
EOS-3-22550,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5conn5)c4)n23)ccc1Cl,MFHXFWBHYWBSSS-UHFFFAOYSA-N,3,1,0.511,16,67,435.831,3.477,5,0.395,0.71,1.0,0.707062572818861,0.7224659036392297,0.5826965252552944,0.5143924336920019,0.6316543588513467
EOS-3-22551,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)c(F)c1,PVFSVSBTUNTHER-UHFFFAOYSA-N,3,1,0.325,3,581,468.431,3.384,6,0.387,0.68,1.0,0.18704166952230827,0.2989342745528065,0.4316959084367076,0.5408813652251387,0.3646383044342403
EOS-3-22552,Cc1nc(-c2ccc(Cn3ncc(-c4cncc5nnc(-c6ccc(C#N)cc6)n45)n3)cn2)no1,KTCKTEBEYGEASY-UHFFFAOYSA-N,3,1,0.368,98,333,461.449,2.723,6,0.375,0.66,0.998,0.19830717565622644,0.22228599821807965,0.12332944966074978,0.14487526557466932,0.1721994722774313
EOS-3-22553,Fc1cccc(Cl)c1-c1nnc2cncc(-c3ccc(-c4ncnn4C(F)F)nn3)n12,QWUXQCFPEHJTSR-UHFFFAOYSA-N,3,1,0.321,22,844,443.78,3.694,5,0.417,0.65,0.359,0.2529555890617504,0.4590415324515112,0.6170755945445823,0.727126310739497,0.5140497566993352
EOS-3-22554,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)c(F)cc5F)nc4)n23)c(C)c1,YQMRDMXMVAZOGO-UHFFFAOYSA-N,3,1,0.333,96,648,474.446,4.606,5,0.385,0.84,1.0,0.29328867109862244,0.4192653005277226,0.9084966760331711,0.8629720375573984,0.6210056713042287
EOS-3-22556,c1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5cccnc5)n34)cn2)cc1,OJPGUMPHYMSVSA-UHFFFAOYSA-N,3,1,0.272,94,195,417.436,3.496,6,0.433,0.73,0.869,0.0050459187170173395,0.009397916523884586,0.34678054965389626,0.397436776094853,0.1896652902474128
EOS-3-22557,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)cn2)cc1,WRJWEWXLFQXJGJ-UHFFFAOYSA-N,3,1,0.287,10,195,417.436,3.496,6,0.433,0.73,0.615,0.01141971078061819,0.028604961962853816,0.3025923514495237,0.3271537248989103,0.1674426872729765
EOS-3-22559,Fc1cccc(-c2ncnc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)n2)n1,WKKPKWFOHIFVLL-UHFFFAOYSA-N,3,1,0.267,39,136,449.413,2.696,6,0.37,0.64,0.935,0.24482557741073263,0.2478154341717497,0.09383352751696251,0.144883832499486,0.1828395928997327
EOS-3-22560,Cc1cncc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)n2)n1,MDLNHAXTUSYBST-UHFFFAOYSA-N,3,1,0.333,94,136,462.452,3.61,6,0.387,0.65,0.965,0.22289424988006304,0.36718696456719896,0.25507161949146734,0.31175896100335826,0.2892279487355219
EOS-3-22561,Fc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)nn5)n34)ccc2F)cn1,LEUUKTSYEMELGK-UHFFFAOYSA-N,3,1,0.471,73,434,453.8,2.944,5,0.37,0.69,1.0,0.8532914125145638,0.9009063806456035,0.5263861284353368,0.5858577205126447,0.7166104105270372
EOS-3-22562,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cc4)n23)cn1,RRDJHKXNLQDCKM-UHFFFAOYSA-N,3,1,0.53,1,230,434.406,4.157,5,0.383,0.79,1.0,0.5450962922349394,0.521999862929203,0.9032537180453705,0.8440734014118292,0.7036058186553356
EOS-3-22563,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2)cn1,MXIOSWAKUFSJKS-UHFFFAOYSA-N,3,1,0.662,91,660,426.455,4.317,5,0.402,0.73,1.0,0.9489925296415599,0.9457627989856761,0.7115687752724282,0.6654016174354054,0.8179314303337675
EOS-3-22564,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)cn1,QUXDYQIYKRUPHO-UHFFFAOYSA-N,3,1,0.452,7,441,461.873,2.812,5,0.357,0.7,1.0,0.48158111164416423,0.4767407991227469,0.23008189980124735,0.19838427797957645,0.3466970221369337
EOS-3-22565,Cn1cc(F)c(-c2cc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cc(F)n2)n1,FJLGUNJUFTWCTQ-UHFFFAOYSA-N,3,1,0.402,85,290,447.409,1.95,5,0.408,0.59,0.94,0.17843191008155712,0.2222945651428963,0.22637242135563018,0.20456959769721061,0.20791712356932357
EOS-3-22566,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nn2C)c(C)c1,AJKWUXAQGSONCF-UHFFFAOYSA-N,3,1,0.367,7,569,447.89,3.226,5,0.404,0.69,0.739,0.2477383318483997,0.2782622849701871,0.12879514769378383,0.12039099444863272,0.19379668974025083
EOS-3-22567,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncnnc5-c5cnco5)n34)cc2)nc1,QWMBDAWCAHBYEV-UHFFFAOYSA-N,3,1,0.456,56,8,450.422,2.667,6,0.369,0.67,1.0,0.5092008772531013,0.3193064217668426,0.12333801658556645,0.12039956137344938,0.2680612192447399
EOS-3-22568,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)nn1,HQNSFYOLZLIECU-UHFFFAOYSA-N,3,1,0.471,55,617,421.873,3.937,5,0.424,0.73,1.0,0.49397745185388253,0.6354430813515181,0.39921869645671987,0.4481958056336098,0.49420875882393256
EOS-3-22569,Fc1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4F)n23)c(F)n1,BANGVKZINOSGDF-UHFFFAOYSA-N,3,1,0.309,96,46,421.342,3.853,5,0.407,0.75,1.0,0.5015848810910836,0.6552326776780207,0.8188009732026592,0.7968353779727229,0.6931134774861216
EOS-3-22570,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)nc1,ZGHYXDPDBHWJRR-UHFFFAOYSA-N,3,1,0.311,38,42,421.424,3.304,6,0.426,0.67,1.0,0.20379000753889384,0.08806798711534508,0.2772171201425536,0.25118223562470016,0.20506433760537318
EOS-3-22571,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)c2)nn1,ANYYZUSKEZLVRA-UHFFFAOYSA-N,3,1,0.25,99,286,436.443,1.839,6,0.406,0.59,1.0,0.027585497909670343,0.01477794530875197,0.07530326913851004,0.07596292234939346,0.048407408676581457
EOS-3-22572,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)cn2)n1,FSBSBXFHNQPGMF-UHFFFAOYSA-N,3,1,0.258,99,286,436.443,1.839,6,0.406,0.59,0.854,0.06681344664519225,0.04470221369337263,0.05684154615859091,0.05038208484682338,0.054684822835994795
EOS-3-22573,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)nc(C)n2)cn1,GBYXIQJBKPLWTC-UHFFFAOYSA-N,3,1,0.443,18,531,458.457,3.116,5,0.363,0.69,1.0,0.5861318621067781,0.4678311973134124,0.3356349804674114,0.22465046946747996,0.4035621273387705
EOS-3-22574,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)cc1,DHBWTOMHXGZOLQ-UHFFFAOYSA-N,3,1,0.302,94,566,449.413,2.696,6,0.395,0.61,0.943,0.17545062024535674,0.28871393324652184,0.26937838393530256,0.3557843876362141,0.2723318312658488
EOS-3-22575,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)nc1,GAJBFQMZDGZJGB-UHFFFAOYSA-N,3,1,0.274,10,872,454.404,3.169,6,0.399,0.61,0.844,0.019952367898019328,0.14811356315536975,0.44637105064765953,0.5574412308957577,0.2929695531492016
EOS-3-22576,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nnc(C(F)F)o5)c4)n23)nc1,XXYLEVRFJSENGI-UHFFFAOYSA-N,3,1,0.417,33,760,465.38,2.247,5,0.377,0.68,0.939,0.5219398944554863,0.2119714207388116,0.21574086765814543,0.12498286615036666,0.2686587622507025
EOS-3-22577,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5cncc(F)c5)cnn4)n23)ccc1F,MJZOJUIVRYTJRI-UHFFFAOYSA-N,3,1,0.4,87,207,446.421,3.246,5,0.392,0.67,1.0,0.640240559248852,0.5128075526009184,0.4984836543074498,0.49730141868274963,0.5372082962099924
EOS-3-22578,OCc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)cn1,IAOXOJAWZWCNST-UHFFFAOYSA-N,3,1,0.517,2,419,429.415,2.854,5,0.41,0.7,1.0,0.5831420053457611,0.540204578164622,0.7013912685902268,0.6134689191967652,0.6095516928243437
EOS-3-22579,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5cnccn5)[nH]4)n23)cc1,OQLZIHYZWURQRS-UHFFFAOYSA-N,3,1,0.325,39,972,437.402,2.63,6,0.441,0.58,0.627,0.22872832568021384,0.257556027688301,0.14664861901171955,0.2511908025495168,0.2210309437324378
EOS-3-22580,Cc1ccc(-c2nnc3cncc(-c4ncn(-c5ncccn5)n4)n23)c(-c2ccc(F)cn2)n1,COZMHYLWKFGRGV-UHFFFAOYSA-N,3,1,0.268,86,871,451.429,2.734,6,0.398,0.61,1.0,0.03920224796107189,0.17614454115550682,0.07962956617092729,0.10636693852374751,0.10033582345281337
EOS-3-22581,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncs6)n5)n34)cn2)cc1,YXGHFJMUUDPNTK-UHFFFAOYSA-N,3,1,0.324,30,541,434.488,4.434,6,0.405,0.73,0.997,0.08319340689466109,0.1761531080803235,0.28081522856555413,0.35579295456103077,0.2239886745253924
EOS-3-22582,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)c(Cl)c1,RABQSTFDHNCRCK-UHFFFAOYSA-N,3,1,0.329,42,369,455.869,3.957,6,0.392,0.73,0.998,0.24774689877321637,0.30894044273867455,0.48148687547118085,0.5175793297238024,0.38893838667671854
EOS-3-22583,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5nn(C)nc5C)s4)n23)cc1,GPHHWICWXBLIPQ-UHFFFAOYSA-N,3,1,0.452,36,926,462.499,1.685,5,0.399,0.64,1.0,0.2986087314097731,0.18036803509012406,0.005517099581934069,0.0010965663765334795,0.12139760811459119
EOS-3-22584,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cnc(-c4cncnn4)c(F)c3F)n12,QVMBHIJLAFLKEP-UHFFFAOYSA-N,3,1,0.34,50,844,445.393,2.391,5,0.445,0.54,0.828,0.19277294222465904,0.21197998766362827,0.4536957713659105,0.40349359194023715,0.3154855732986087
EOS-3-22585,Fc1cc(-c2nnc3cncc(OCc4nnc(-c5cncs5)o4)n23)ccc1Cl,DQXVOBWXJQSOHR-UHFFFAOYSA-N,3,1,0.568,4,391,429.824,3.669,5,0.416,0.71,1.0,0.7784250565417038,0.8725584264272497,0.36933726269618256,0.47602974436296347,0.6240876225070248
EOS-3-22586,Fc1ccc(-c2cc(-c3nnc4cncc(OCC(F)F)n34)ncc2F)cc1Cl,KTNLWXJTYVWFHZ-UHFFFAOYSA-N,3,1,0.437,23,255,423.757,4.429,4,0.444,0.72,1.0,0.9144164210814886,0.9301452950448907,0.9861215817969982,0.989299910903982,0.9549958022068398
EOS-3-22587,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)s1,APMATXNOQHISCP-UHFFFAOYSA-N,3,1,0.573,72,628,433.472,3.774,5,0.377,0.71,1.0,0.7611113014872182,0.7271434445891303,0.317438832156809,0.29905421150023986,0.5261869474333494
EOS-3-22588,Fc1cnccc1CCOc1cncc2nnc(-c3cccc(-c4ncccc4F)c3)n12,KUJNYGZMRKCDGB-UHFFFAOYSA-N,3,1,0.563,35,161,430.418,4.148,5,0.403,0.7,1.0,0.8462665341648962,0.8087605373175245,0.8135665821396751,0.8097628675210746,0.8195891302857926
EOS-3-22589,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)n2)cc1,OCFIABWRWYEMIZ-UHFFFAOYSA-N,3,1,0.321,10,118,453.416,3.774,6,0.375,0.68,0.815,0.03231444040847097,0.18882358988417516,0.6139058323624151,0.6713384963333562,0.3765955897471044
EOS-3-22590,Cc1cnc(-c2nnc3cncc(OCc4cccc(-c5nnc(C(F)F)o5)n4)n23)cn1,WZPWZKUIDGFRBC-UHFFFAOYSA-N,3,1,0.402,53,828,437.37,2.851,5,0.391,0.67,1.0,0.45962408333904464,0.36223528202316496,0.16236035912548832,0.11096737715029813,0.273796775409499
EOS-3-22591,Clc1ccc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)s1,GZLCPFIMEXWNOB-UHFFFAOYSA-N,3,1,0.453,7,181,421.873,3.937,5,0.424,0.75,1.0,0.5015934480159002,0.5539887601946405,0.44281577684874235,0.4760383112877801,0.4936090740867658
EOS-3-22592,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c(F)cn1,NOVNHSSTWIKRDU-UHFFFAOYSA-N,3,1,0.573,35,883,430.418,4.148,5,0.377,0.74,1.0,0.960155232677678,0.9469621684600096,0.8559300253580975,0.8404838599136454,0.9008828216023576
EOS-3-22593,Fc1ccc(-c2nnc3cncc(Oc4ccnc(-c5ccnc(Cl)c5)n4)n23)c(F)c1,CJVAILPXCUSKDA-UHFFFAOYSA-N,3,1,0.46,13,110,437.797,4.367,5,0.385,0.77,1.0,0.8664759098074155,0.937744157357275,0.8261685285449935,0.8512953190322802,0.8704209786854911
EOS-3-22594,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc(Cl)n1,WOTGRVXTAQJFSS-UHFFFAOYSA-N,3,1,0.679,19,73,449.877,4.001,5,0.364,0.74,1.0,0.5664279350284422,0.6305256665067507,0.658188266739771,0.6713470632581728,0.6316222328832842
EOS-3-22595,Cc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cncn4C)cn3)n12,LTYJRYQRUCWIGI-UHFFFAOYSA-N,3,1,0.396,46,62,432.875,3.523,5,0.392,0.68,0.999,0.5219484613803029,0.4635991364539785,0.49165581522856555,0.4259560688095401,0.47578987046809673
EOS-3-22596,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,RUKOEKAJMAOEPO-UHFFFAOYSA-N,3,1,0.488,24,199,433.834,4.015,5,0.413,0.67,1.0,0.8246693167020767,0.7544033993557673,0.7545319032280172,0.7638013158796518,0.7743514837913782
EOS-3-22597,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cccnn1,YWNNLPBROUVHII-UHFFFAOYSA-N,3,1,0.585,4,712,433.834,4.015,5,0.413,0.67,1.0,0.7463590569529162,0.8351809334521281,0.7684274552806525,0.7946079775203893,0.7861438558015215
EOS-3-22598,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)cc1,VKGLFLJMWYXJNI-UHFFFAOYSA-N,3,1,0.333,38,193,421.424,3.304,6,0.426,0.66,1.0,0.1234836543074498,0.07448941128092659,0.2730964293057364,0.25724761839490096,0.18207927832225346
EOS-3-22599,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)c(F)n1,LROLLTCPRUNCOB-UHFFFAOYSA-N,3,1,0.264,10,871,453.416,3.774,6,0.375,0.67,0.374,0.03480741553012131,0.15602083476115414,0.5196696593790693,0.5764683709135768,0.32174157014598037
EOS-3-22600,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nc(C)n2)nn1,MOKJAKLGLJPVLO-UHFFFAOYSA-N,3,1,0.448,31,851,425.456,2.672,5,0.405,0.66,1.0,0.4939860187786992,0.15970461243232129,0.08934445891302858,0.06489445548625865,0.2019823864025769
EOS-3-22601,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)nn1,FOJKCZVPKGRDMP-UHFFFAOYSA-N,3,1,0.506,37,482,463.864,3.156,5,0.374,0.66,1.0,0.8920139126859022,0.9318329792337743,0.255080186416284,0.31486875471180864,0.5984489582619423
EOS-3-22602,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)cn1,OEXQCJAXHZDRIF-UHFFFAOYSA-N,3,1,0.298,64,449,467.443,3.989,6,0.387,0.71,1.0,0.18425741895689124,0.28344527448427115,0.5631125351243917,0.6072407648550476,0.40951399835515045
EOS-3-22603,FC(F)(c1ccc(-c2nnc3cncc(-c4cnn(-c5ccncn5)c4)n23)cc1)c1ncccn1,RKOWCZVEKJINTR-UHFFFAOYSA-N,3,1,0.309,42,151,468.431,3.364,6,0.379,0.71,1.0,0.03481598245493798,0.15209718319512028,0.7865893358919882,0.6482763347268864,0.4054447090672332
EOS-3-22604,Cc1cnc(Oc2cncc3nnc(-c4ccc(F)c(-c5cnc(C)nc5)c4)n23)cn1,GKARJJUINOAYOJ-UHFFFAOYSA-N,3,1,0.42,51,253,414.404,3.587,5,0.439,0.81,1.0,0.7578301692824344,0.7456994037420328,0.5126961825783017,0.4035021588650538,0.6049319786169558
EOS-3-22605,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(Cl)c4)n23)cc1,DGCPNFYMDPAHRV-UHFFFAOYSA-N,3,1,0.565,48,646,409.852,3.729,4,0.545,0.82,1.0,0.4457627989856761,0.5220084298540196,0.7636728120074018,0.7380405729559317,0.6173711534507573
EOS-3-22606,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cn1,KZNHCZIJXROXAJ-UHFFFAOYSA-N,3,1,0.568,54,873,444.886,3.622,5,0.391,0.64,1.0,0.580203550133644,0.6257196216846,0.3955777534096361,0.43555959152902474,0.5092651291892262
EOS-3-22607,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nn1,XTYDTKJEQYQUFX-UHFFFAOYSA-N,3,1,0.448,18,88,444.886,3.622,5,0.391,0.64,0.907,0.5190956754163526,0.5635408813652252,0.3210797752038928,0.34310533890754574,0.43670541772325405
EOS-3-22608,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cc[nH]n5)nc4)n23)cc1,QCJXWXQQSGGNCS-UHFFFAOYSA-N,3,1,0.473,89,731,427.428,1.91,5,0.419,0.65,1.0,0.6520457816462203,0.2989428414776232,0.1529710095264204,0.06998320882735933,0.2934857103694058
EOS-3-22609,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)nc1,JOZQQOBOOVVMSA-UHFFFAOYSA-N,3,1,0.273,70,935,430.435,3.162,6,0.415,0.64,1.0,0.12070797066684943,0.07786477965869372,0.230090466726064,0.2632873003906518,0.17298762936056472
EOS-3-22610,c1ccc(-c2cncnc2-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)cc1,DYGPDVDIEYVQJA-UHFFFAOYSA-N,3,1,0.25,10,342,419.412,2.286,6,0.423,0.7,0.541,0.01223356863820163,0.014786512233568638,0.03441333698855459,0.07597148927421013,0.03435122678363375
EOS-3-22611,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)ncn4)n23)c(F)c1,UUNBBMJRAJRZKK-UHFFFAOYSA-N,3,1,0.528,44,130,448.408,4.287,5,0.386,0.72,1.0,0.8462751010897128,0.82442944280721,0.8916626687684189,0.9035963950380371,0.8664909019258448
EOS-3-22612,N#Cc1cc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)ccc1F,WXICOZNRHFLDID-UHFFFAOYSA-N,3,1,0.483,2,875,424.399,3.233,5,0.422,0.68,1.0,0.8116475909807416,0.7224744705640463,0.8072955931738743,0.7688729353711192,0.7775726475224454
EOS-3-22613,FC(F)c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)cc1,QVQIKRYSAVHFBS-UHFFFAOYSA-N,3,1,0.31,8,973,458.392,3.422,6,0.382,0.7,1.0,0.12349222123226647,0.15210575011993696,0.46772839421561235,0.48524775546569804,0.3071435302583784
EOS-3-22614,Fc1ncccc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ncn1,HJCSBNMTCJDRFC-UHFFFAOYSA-N,3,1,0.457,44,238,434.822,3.41,5,0.387,0.68,0.963,0.5578867109862243,0.5781646220272771,0.5263946953601535,0.5637893221849085,0.5565588376396409
EOS-3-22615,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1cnn(C)c1,YBXGGPMXJFFCPG-UHFFFAOYSA-N,3,1,0.489,4,702,440.442,3.485,5,0.412,0.67,1.0,0.4840912206154479,0.5781731889520938,0.6989668288671098,0.5798009046672606,0.5852580357754781
EOS-3-22616,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cc2F)nc1,GSTOTRZEMUEIEP-UHFFFAOYSA-N,3,1,0.571,73,325,449.396,3.682,5,0.391,0.65,1.0,0.9711722979919128,0.9533016928243437,0.7925433486395723,0.7923120416695223,0.8773323452813379
EOS-3-22617,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(N)=O)nn4)n23)c1,RBEXAQFSLHJWNN-UHFFFAOYSA-N,3,1,0.396,53,105,430.392,-0.155,5,0.378,0.68,1.0,0.3010503049825235,0.07095983825645946,0.0071962168460009595,0.003144061407717086,0.09558760537317526
EOS-3-22618,Cc1cnc(Oc2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2)nc1,CEZVCVRZRKZHFM-UHFFFAOYSA-N,3,1,0.58,15,361,426.44,3.094,5,0.387,0.69,1.0,0.8036717839764238,0.6213504900280995,0.2478925364950997,0.155044205332054,0.45698975395791924
EOS-3-22619,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cc5nn[nH]n5)nc4)n23)nc1,UXGWVZCRRKVXNC-UHFFFAOYSA-N,3,1,0.412,33,108,469.469,1.156,6,0.337,0.79,1.0,0.22023850318689603,0.08807655404016175,0.016062984031252142,0.01622575560276883,0.0851509492152697
EOS-3-22620,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)ccn1,ZTKOSZMPYNWPLZ-UHFFFAOYSA-N,3,1,0.518,35,846,431.406,3.543,5,0.38,0.7,1.0,0.7923377424439723,0.8668871221986156,0.7088701939551778,0.7083818792406278,0.7691192344595983
EOS-3-22621,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c(F)n1,IZKVPILJADIREI-UHFFFAOYSA-N,3,1,0.556,24,583,431.406,3.543,5,0.38,0.7,1.0,0.8732266465629498,0.7586525940648345,0.6229525049688164,0.595135700089096,0.7124918614214242
EOS-3-22622,Cc1cc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)ccc1C#N,IOJJMJYNSJTTDT-UHFFFAOYSA-N,3,1,0.409,20,658,435.451,2.84,5,0.395,0.64,1.0,0.5092094441779179,0.3954835172366527,0.39180830649030224,0.3592368583373312,0.41393453156055104
EOS-3-22623,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnn(C)c6)nn5)n34)cn2)cn1,DZSWEBJIHBGVMQ-UHFFFAOYSA-N,3,1,0.27,86,312,451.454,2.238,6,0.388,0.63,1.0,0.05109313960660681,0.0672246590363923,0.16543588513467206,0.10858577205126448,0.09808486395723391
EOS-3-22624,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(-c3nnn(-c4ccccc4)n3)n12,ARSMLWCDXRUTDJ-UHFFFAOYSA-N,3,1,0.326,98,973,451.454,2.238,6,0.388,0.63,1.0,0.019960934822835993,0.05186416284010691,0.07319580563360976,0.0664536358028922,0.052868634774861215
EOS-3-22625,Cn1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1-c1ccc(Cl)cc1,KNIVLGGUHKFMSV-UHFFFAOYSA-N,3,1,0.433,95,965,453.293,3.868,5,0.399,0.7,0.995,0.3710506476595161,0.44127373038174217,0.4709923925707628,0.5798094715920773,0.4657815605510246
EOS-3-22626,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)cn4)n23)cn1,WRIDFOYMZXDFKR-UHFFFAOYSA-N,3,1,0.304,96,575,419.851,4.529,5,0.428,0.8,1.0,0.21462716743197863,0.2782708518950038,0.7587725310122678,0.8075526009183743,0.5148057878144061
EOS-3-22627,COc1cc(-c2cc(C)nn2C)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,LYFNVBIZTYOKFC-UHFFFAOYSA-N,3,1,0.593,15,771,441.495,3.525,5,0.381,0.71,1.0,0.32920978685491054,0.10038722500171339,0.36194400657939824,0.2072853128640943,0.2497065828250291
EOS-3-22628,Fc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)n1,FQFPKUKDOITZGM-UHFFFAOYSA-N,3,1,0.325,38,608,436.414,3.03,6,0.388,0.64,1.0,0.03921081488588856,0.167474813241039,0.24431156192173256,0.2867521074635049,0.18443732437804125
EOS-3-22629,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)nc4)n23)nc1,LICYLMYXYAPXJV-UHFFFAOYSA-N,3,1,0.294,63,108,407.384,3.078,5,0.546,0.89,0.996,0.1397950791583853,0.15971317935713797,0.3654992803783154,0.39744534301966966,0.2656132204783771
EOS-3-22630,CC1CC1NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4)n23)nc1,KUVHWCZNUWMABT-UHFFFAOYSA-N,3,1,0.269,33,432,451.494,2.787,6,0.437,0.6,0.996,0.06890377630045919,0.05571071208279076,0.21246830237817832,0.14489239942430265,0.12049379754643273
EOS-3-22631,Cc1ncnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n1,ZDSIWQZHVJBRLK-UHFFFAOYSA-N,3,1,0.495,65,131,445.874,3.017,5,0.388,0.63,1.0,0.8010417380577068,0.7364128572407649,0.2479011034199164,0.2572561853197176,0.5106529710095264
EOS-3-22632,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)ccn2)cn1,DPQFDBKWKUQJPR-UHFFFAOYSA-N,3,1,0.483,75,530,445.874,3.017,5,0.388,0.63,1.0,0.6613922966212048,0.6450209032965527,0.1408573778356521,0.14978411349461998,0.3992636728120074
EOS-3-22633,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)cn1,MQZHTXXNAHBNNL-UHFFFAOYSA-N,3,1,0.489,75,819,445.874,3.017,5,0.388,0.63,1.0,0.5919916386813789,0.6354516482763347,0.16873415118908916,0.18220135700089096,0.39459469878692344
EOS-3-22634,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)cn2)nn1,MYIWBHWGLLAEKZ-UHFFFAOYSA-N,3,1,0.31,64,449,461.464,4.215,6,0.384,0.7,1.0,0.2339455828935645,0.2941539305051059,0.38453498732095126,0.44172777739702557,0.33859056952916183
EOS-3-22635,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)nc1,XHEMHUHWAWRLHG-UHFFFAOYSA-N,3,1,0.402,80,34,450.466,2.746,6,0.381,0.63,0.992,0.27947878829415396,0.1560294016859708,0.23379994517168118,0.16573572750325544,0.20876096566376534
EOS-3-22636,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2F)n1,UDGSOCCEOSLRPJ-UHFFFAOYSA-N,3,1,0.536,16,55,437.822,3.916,5,0.381,0.75,1.0,0.8711191830580495,0.6990524981152766,0.6050818998012474,0.5979285175793297,0.6932955246384758
EOS-3-22637,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1-c1ccc(F)cc1,YKVXJZWVHQEWOY-UHFFFAOYSA-N,3,1,0.354,32,20,448.465,4.455,6,0.396,0.73,0.999,0.12071653759166609,0.3141062984031252,0.5953070385854293,0.6307826742512508,0.4152281372078679
EOS-3-22638,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,QAGXZEBOLDYYLU-UHFFFAOYSA-N,3,1,0.494,16,772,439.863,4.076,5,0.407,0.71,1.0,0.6088770474950311,0.6552412446028374,0.7140360496196285,0.7638098828044685,0.6854910561304913
EOS-3-22639,Cc1cnc(COc2cncc3nnc(-c4cc(C#N)nc(-c5ccc(C)nn5)c4)n23)cn1,AVCBYGQOEVPVST-UHFFFAOYSA-N,3,1,0.435,7,587,436.439,2.501,5,0.403,0.63,0.992,0.3895552052635186,0.3284730313206771,0.1848742375436913,0.12697895963265027,0.25747035844013433
EOS-3-22640,Cn1ccnc1-c1ccnc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,CPIDAEVNCFSBSG-UHFFFAOYSA-N,3,1,0.402,46,564,436.838,3.353,5,0.417,0.63,1.0,0.577445000342677,0.46783976423822904,0.582705092180111,0.5829449660749777,0.5527337057089987
EOS-3-22641,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,QFUNYSPFHUDMAG-UHFFFAOYSA-N,3,1,0.535,36,391,436.838,3.353,5,0.417,0.64,1.0,0.6088856144198479,0.8316770612021109,0.5330169282434377,0.579818038516894,0.6383494105955726
EOS-3-22642,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cs2)cn1,AZLQWONHZFJHEO-UHFFFAOYSA-N,3,1,0.684,27,996,455.45,3.829,5,0.368,0.74,1.0,0.38956377218833527,0.6071122609827976,0.6344493180727846,0.537446028373655,0.5421428449043931
EOS-3-22644,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ccc2F)n1,VPRGEXTVGUKHCA-UHFFFAOYSA-N,3,1,0.466,36,662,431.435,2.712,5,0.418,0.64,1.0,0.4644129943115619,0.48991672949078197,0.1815502707148242,0.142433692001919,0.31957842162977174
EOS-3-22645,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)nc4)n23)cn1,XTCJVDWDZMELJE-UHFFFAOYSA-N,3,1,0.383,85,81,414.86,3.591,5,0.443,0.77,0.993,0.27654033308203685,0.31931498869165925,0.39558632033445273,0.4164296484134055,0.3519678226303886
EOS-3-22646,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cccnc5Cl)n34)ccn2)nn1,GWDFBJVAESZLSN-UHFFFAOYSA-N,3,1,0.467,24,241,430.859,3.579,5,0.39,0.72,1.0,0.6003443903776301,0.5833219107669111,0.40974744705640465,0.410072990199438,0.500871684600096
EOS-3-22647,OCc1cncc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)c1,PVFGUZGFDAVWGD-UHFFFAOYSA-N,3,1,0.494,2,419,445.87,3.368,5,0.423,0.66,1.0,0.5041549585360839,0.5976715098348296,0.7040984168322939,0.6801795627441574,0.6215261119868412
EOS-3-22648,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccn1,ICTYJHWEBGHCJU-UHFFFAOYSA-N,3,1,0.468,75,624,434.41,2.882,5,0.405,0.63,1.0,0.6175382084846823,0.44585703515865943,0.49849222123226644,0.4637704749503118,0.50641448495648
EOS-3-22649,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4nnccc4OC)n23)c(F)c1,SACAZNOCZUEECP-UHFFFAOYSA-N,3,1,0.396,26,448,446.446,3.191,5,0.375,0.69,1.0,0.42741244602837364,0.49944314988691657,0.36934582962099927,0.26329586731546845,0.38987432321293947
EOS-3-22650,c1ccc(-n2nnc(-c3cncc4nnc(-c5cccnc5-c5ccncc5)n34)n2)cc1,FHAIIBZZOOPPEF-UHFFFAOYSA-N,3,1,0.288,10,952,418.424,2.891,6,0.429,0.71,0.998,0.0026214789939003496,0.0177506682201357,0.09609519566856281,0.15788842437118772,0.06858894181344664
EOS-3-22651,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cncnc4)n23)nc1,LJOHBAAWJRZHRF-UHFFFAOYSA-N,3,1,0.238,86,953,434.427,1.896,6,0.404,0.6,0.965,0.026368994585703517,0.02154581591391954,0.06885237475155918,0.07955246384757728,0.04907991227468988
EOS-3-22652,Cc1cnc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)nc1,BUTMWTQUNXMTOW-UHFFFAOYSA-N,3,1,0.289,42,57,442.486,4.681,6,0.391,0.75,1.0,0.1728805428003564,0.14073744088821877,0.44282434377355906,0.4606692481666781,0.30427789390720306
EOS-3-22653,N#Cc1ncc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)cc1Cl,OHJIXZHLAPGPQB-UHFFFAOYSA-N,3,1,0.481,90,980,416.203,3.478,4,0.502,0.7,1.0,0.8664844767322322,0.8887499143307518,0.8783411006785005,0.9105613049139881,0.8860341991638682
EOS-3-22654,c1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cscn6)cnn5)n34)cc2)n[nH]1,QXTKOKDIBXGPOC-UHFFFAOYSA-N,3,1,0.447,56,425,454.479,3.069,6,0.403,0.67,1.0,0.38498903433623466,0.4146734288259886,0.2089044616544445,0.1848742375436913,0.2983602905900898
EOS-3-22655,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccc2Cl)nn1,IODFLZZIACMKIE-UHFFFAOYSA-N,3,1,0.506,73,772,454.828,3.492,5,0.401,0.66,1.0,0.6402491261736687,0.7627732849016517,0.7971180864916729,0.8120845041463917,0.7530562504283462
EOS-3-22656,CCn1c(C)nnc1-c1cc(COc2cncc3nnc(-c4ccc(C)nc4)n23)ncn1,NIPRWEGZLWMNSB-UHFFFAOYSA-N,3,1,0.438,92,185,428.46,2.451,5,0.401,0.66,0.999,0.22290281680487972,0.17163833870193956,0.016782605715852238,0.009800561990267973,0.10528108080323487
EOS-3-22657,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,RPRWZVAMQXHMPU-UHFFFAOYSA-N,3,1,0.573,26,1,445.914,4.345,5,0.37,0.72,1.0,0.4226663696799397,0.3815451305599342,0.5196782263038859,0.5310294016859708,0.46372978205743265
EOS-3-22658,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)cc1,DOFYOLDLRDOCMR-UHFFFAOYSA-N,3,1,0.32,30,289,422.477,4.163,6,0.424,0.72,1.0,0.028784867384003838,0.06723322596120897,0.24790967034473305,0.2990627784250565,0.1607476355287506
EOS-3-22659,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(C#N)cn5)c4)n23)cc1,IQIWPVANVMREOU-UHFFFAOYSA-N,3,1,0.511,89,656,477.488,2.844,5,0.374,0.77,1.0,0.6314423274621342,0.27827941881982043,0.33564354739222807,0.20729387978891098,0.36316479336577345
EOS-3-22660,Cc1cc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc(C)n1,MJIOPRPPXDILKB-UHFFFAOYSA-N,3,1,0.662,48,305,415.375,4.281,4,0.484,0.76,1.0,0.9667945994105955,0.8965115482146528,0.9701699677883627,0.8989017202385032,0.9330944589130286
EOS-3-22661,Cc1cc(Oc2ccc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)ncn1,YDADDWQFMDBICH-UHFFFAOYSA-N,3,1,0.421,46,128,446.858,3.704,5,0.385,0.69,1.0,0.5635237475155918,0.655249811527654,0.4097560139812213,0.33996984442464534,0.4921248543622781
EOS-3-22664,COc1ccc(-c2cnc(F)cn2)nc1COc1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,GSEZWTQVJZQIPA-UHFFFAOYSA-N,3,1,0.495,89,731,472.44,2.469,5,0.378,0.73,0.921,0.6003529573024468,0.3861455691864848,0.31353231444040847,0.1710643547392228,0.3677737989171407
EOS-3-22665,Cc1csc(COc2cncc3nnc(-c4ccc(-c5c[nH]c(=N)cn5)c(Cl)c4)n23)n1,MHUYVCXYSWPQLK-UHFFFAOYSA-N,3,1,0.506,4,677,450.915,3.658,5,0.422,0.77,1.0,0.5553594681653073,0.5592060174079913,0.32460934822835996,0.32083133438420947,0.4400015420464671
EOS-3-22666,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)nc5)n34)cn2)ccn1,OXBKYZNXVOPTDS-UHFFFAOYSA-N,3,1,0.307,70,723,435.476,3.829,6,0.411,0.69,1.0,0.04220067164690563,0.09422760605852923,0.3356521143170448,0.3659104927695154,0.20949772119799875
EOS-3-22667,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)s5)n34)cn2)c1,UNKSWJNGEJNLLB-UHFFFAOYSA-N,3,1,0.312,76,368,435.476,3.829,6,0.411,0.69,1.0,0.08320197381947776,0.1443441162360359,0.3097714344458913,0.3431139058323624,0.22010785758344187
EOS-3-22668,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)n1,LEZTWEUDRKDPQT-UHFFFAOYSA-N,3,1,0.645,43,389,417.86,3.819,5,0.432,0.73,1.0,0.7784336234665205,0.8244380097320266,0.5986824069631965,0.5951442670139127,0.699174576793914
EOS-3-22669,Cc1ccc(-c2nnc3cncc(OCc4cc(C#N)cc(-c5cccnc5F)n4)n23)cn1,XUZMKJVJLBSJMA-UHFFFAOYSA-N,3,1,0.5,4,205,438.426,3.542,5,0.383,0.71,1.0,0.740173737235282,0.8050938934959907,0.6716897402508396,0.5979370845041464,0.7037236138715647
EOS-3-22670,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cn1,NEWBWISVKPLESZ-UHFFFAOYSA-N,3,1,0.305,42,369,421.424,3.304,6,0.426,0.69,1.0,0.1814988691659242,0.07096840518127613,0.25858405866630113,0.24520252210266602,0.18906346377904187
EOS-3-22671,Fc1cncc(Oc2cncc3nnc(-c4cc(-c5cccc(F)c5F)ncn4)n23)c1,QQDBYHOCSJIING-UHFFFAOYSA-N,3,1,0.365,44,971,421.342,3.853,5,0.435,0.72,1.0,0.7283513809882805,0.6990610650400932,0.8704766636967994,0.8795062024535673,0.7943488280446851
EOS-3-22673,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)c(C)n1,QCHXBPJPTLDFLB-UHFFFAOYSA-N,3,1,0.367,46,564,446.421,3.512,5,0.404,0.64,1.0,0.6614008635460216,0.48529059008978137,0.5953156055102461,0.4973099856075663,0.5598292611884038
EOS-3-22674,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cc4)n23)c(-c2ccncc2)n1,HKSQRFKVTSYJSL-UHFFFAOYSA-N,3,1,0.288,69,299,430.475,4.614,6,0.438,0.72,1.0,0.107514906449181,0.11606469741621547,0.5499880063052567,0.5408899321499554,0.32861438558015216
EOS-3-22675,Fc1ccc(-n2nccc2-c2cncc3nnc(-c4nccnc4-c4cccnn4)n23)cc1,XYCYQGHBKATVNE-UHFFFAOYSA-N,3,1,0.301,39,972,436.414,3.03,6,0.414,0.61,0.022,0.01458090603796861,0.08144575423206087,0.22280858063189637,0.33681721609211157,0.16391311424850935
EOS-3-22676,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nc1-c1cncnn1,ZUMNDXRNVQXOBY-UHFFFAOYSA-N,3,1,0.489,73,756,470.255,3.458,5,0.381,0.69,1.0,0.8938815022959359,0.9433811938866424,0.5020817627304502,0.642587896648619,0.7454830888904119
EOS-3-22677,Cc1nc(C)c(-c2ncccc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)s1,XJGXBKBIMTVFGI-UHFFFAOYSA-N,3,1,0.311,52,582,467.558,4.486,6,0.409,0.75,0.989,0.07096840518127613,0.0709769721060928,0.05875197039270783,0.0759800561990268,0.06916935096977589
EOS-3-22678,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cc2F)cn1,IWBLLNRIUQPOAZ-UHFFFAOYSA-N,3,1,0.554,4,677,433.472,4.04,5,0.413,0.75,1.0,0.5635323144404085,0.6168528544993489,0.3393016242889452,0.2867606743883216,0.4516118669042561
EOS-3-22679,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(C)c5F)c4)n23)cc1,MCEHURVBBPSCPD-UHFFFAOYSA-N,3,1,0.522,89,656,469.48,3.634,5,0.405,0.69,1.0,0.6003615242272634,0.33804228634089506,0.6344578849976013,0.4512713316427935,0.5060332568021383
EOS-3-22680,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1,QSXMGGUCRAMPGP-UHFFFAOYSA-N,3,1,0.494,36,734,419.836,2.609,5,0.427,0.7,1.0,0.5774535672674936,0.512816119525735,0.2300990336508807,0.2452110890274827,0.39139495236789806
EOS-3-22681,COc1cc(-c2nnc3cncc(Oc4ccc(-c5ccc(C#N)cn5)nn4)n23)ccc1Cl,LHENHEFTPAEWEU-UHFFFAOYSA-N,3,1,0.4,72,706,456.853,3.969,5,0.386,0.72,0.996,0.8394986635597286,0.8699369474333494,0.7064457542320609,0.6511633883901035,0.7667611884038106
EOS-3-22682,Cn1c(CO)nnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,CNFCSKSWBOJOFL-UHFFFAOYSA-N,3,1,0.511,36,463,449.862,2.102,5,0.414,0.64,1.0,0.6258224247824001,0.7318295524638476,0.08451271331642793,0.1449009663491193,0.39676641422794867
EOS-3-22683,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5cc(F)ccc5F)n34)cn2)cn1,KGSILZVNPKKHFW-UHFFFAOYSA-N,3,1,0.482,13,995,417.379,4.022,5,0.436,0.79,1.0,0.7611198684120348,0.7928003563840724,0.7751867589610033,0.729782057432664,0.7647222602974437
EOS-3-22684,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c(F)c1,GUCMWJMRBAEIPP-UHFFFAOYSA-N,3,1,0.54,37,79,434.41,2.882,5,0.405,0.63,1.0,0.6826211363169077,0.5728616955657597,0.5827136591049277,0.5764769378383935,0.6036683572064971
EOS-3-22685,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2F)c1,MOONIAVIUKRGLU-UHFFFAOYSA-N,3,1,0.506,13,145,422.37,4.401,5,0.429,0.78,1.0,0.7697467617024193,0.7965355356041396,0.9383267082448085,0.9286889178260571,0.8583244808443561
EOS-3-22686,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)cc1,MESNYCANKAZRMV-UHFFFAOYSA-N,3,1,0.426,21,810,429.487,4.921,6,0.398,0.83,1.0,0.15671475567130422,0.07098553903090947,0.6313909259132342,0.6683229387978891,0.38185353985333426
EOS-3-22687,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,BEVNMVOZJRXKFW-UHFFFAOYSA-N,3,1,0.426,21,810,429.487,4.921,6,0.398,0.83,1.0,0.1567233225961209,0.07099410595572614,0.6313994928380509,0.6683315057227058,0.3818621067781509
EOS-3-22688,Cc1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1C,SLNAVYPNCQGDCD-UHFFFAOYSA-N,3,1,0.56,4,32,431.887,4.128,5,0.416,0.69,1.0,0.7670995819340689,0.8051024604208074,0.5535432801041738,0.5239959564114866,0.6624353197176341
EOS-3-22689,Cc1ccc(-c2ccnc(-c3nnc4cncc(Cc5ccc(Cl)c(F)c5)n34)c2)nc1,SFLYHWATMCRSJL-UHFFFAOYSA-N,3,1,0.372,14,692,430.874,4.94,5,0.404,0.79,1.0,0.3388475772736618,0.3331163045713111,0.857463504900281,0.8753683777671167,0.6011989411280927
EOS-3-22690,Cc1nn(C)cc1-c1ccnc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,ZWBHVBOEMQETTM-UHFFFAOYSA-N,3,1,0.411,13,110,435.85,4.48,5,0.414,0.73,1.0,0.35968233842779795,0.405198409978754,0.7166832293879789,0.7083904461654444,0.5474886059899938
EOS-3-22691,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c(-c2ccc(F)cn2)n1,LCCAAITUTBWRBH-UHFFFAOYSA-N,3,1,0.284,9,339,461.464,4.215,6,0.384,0.71,1.0,0.3141662668768419,0.3671955314920156,0.5264032622849701,0.5408984990747722,0.43716588993215
EOS-3-22692,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccncn5)cn4)n23)cc1,AVKNWJIYDUYMIS-UHFFFAOYSA-N,3,1,0.346,94,515,447.437,3.906,6,0.4,0.66,1.0,0.2822459050099376,0.41927386745253925,0.5666592419984923,0.6039082311013638,0.4680218113905833
EOS-3-22693,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)c1,ALHFXIOIWUEVHF-UHFFFAOYSA-N,3,1,0.57,11,429,446.873,4.662,5,0.377,0.76,1.0,0.9688420944417792,0.9591186347748613,0.8206942635871428,0.8476800767596464,0.8990837673908574
EOS-3-22694,Cn1nccc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,AQRPFMRPXHSMJQ-UHFFFAOYSA-N,3,1,0.458,87,838,433.863,2.652,5,0.402,0.63,1.0,0.44340689466109245,0.46360770337879514,0.2054519909533274,0.22190048660132958,0.3335917688986362
EOS-3-22695,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)cnn4)n23)c1,UJALDJLPDPJSDA-UHFFFAOYSA-N,3,1,0.484,84,207,449.396,3.682,5,0.391,0.68,1.0,0.8140977314783086,0.7499828661503667,0.8479884860530464,0.862980604482215,0.8187624220409842
EOS-3-22696,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(C#N)n4)n23)c(F)c1,AQJAWYRJBOMUBW-UHFFFAOYSA-N,3,1,0.458,4,448,440.442,3.659,5,0.397,0.69,1.0,0.6459118634774861,0.5930796381330957,0.6408830786101021,0.5604567884312247,0.6100828421629771
EOS-3-22697,Cc1cccc(CCOc2cncc3nnc(-c4cc(CO)cc(-c5ccccn5)c4)n23)n1,YACDKAGNJQKWIE-UHFFFAOYSA-N,3,1,0.489,11,848,438.491,3.671,5,0.414,0.67,1.0,0.6063755054485642,0.4052069769035707,0.5165255979713522,0.4195994105955726,0.48692687272976487
EOS-3-22698,Fc1cnc(-c2nc(Cl)ccc2-c2nnc3cncc(Cc4ccc(Cl)nc4)n23)nc1,MDDYBMPCWNNZDA-UHFFFAOYSA-N,3,1,0.321,85,260,453.268,4.075,5,0.379,0.7,0.997,0.43388047426495785,0.5309694332122541,0.5466983071756563,0.697262010828593,0.5522025563703653
EOS-3-22699,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cc4OC)n23)ccc1Cl,WHQAGFZIOHUBIT-UHFFFAOYSA-N,3,1,0.556,90,555,432.267,4.089,4,0.425,0.7,1.0,0.829612432321294,0.8204715235419094,0.8479970529778631,0.7612055376602015,0.814821636625317
EOS-3-22700,Cc1cnc(-c2ncncc2-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)nn1,NGIWAFYUTVTGEM-UHFFFAOYSA-N,3,1,0.415,7,565,432.835,2.369,5,0.381,0.67,1.0,0.5191042423411693,0.5402131450894387,0.10635837159893084,0.14734253992186966,0.3282545747378522
EOS-3-22701,Cc1nc(COc2cncc3nnc(-c4cccc(-c5ncccc5F)c4)n23)ccc1F,UZLRMWMCQMFVDZ-UHFFFAOYSA-N,3,1,0.54,1,92,430.418,4.414,5,0.411,0.74,1.0,0.652054348571037,0.6399664176547186,0.7822287711603043,0.7484236858337331,0.7056683058049483
EOS-3-22702,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nc1,PTKAEPDIVAADJA-UHFFFAOYSA-N,3,1,0.542,55,242,416.832,3.271,5,0.43,0.75,1.0,0.5774621341923103,0.722483037488863,0.35817455966006445,0.38190494140223424,0.5100061681858681
EOS-3-22703,Cc1csc(COc2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)c(F)c4)n23)n1,BZEZPNURJSWRDR-UHFFFAOYSA-N,3,1,0.536,47,677,422.449,3.368,5,0.463,0.7,1.0,0.5297614968131039,0.6305342334315674,0.15591803166335413,0.13546878212596805,0.36292063600849844
EOS-3-22704,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)n5)nn4)n23)cc1,ACDPTGBRVJZFKH-UHFFFAOYSA-N,3,1,0.343,98,890,439.418,2.369,6,0.384,0.62,1.0,0.018950037694469193,0.13693372626961825,0.17192961414570626,0.21629771777122883,0.13602777397025564
EOS-3-22705,Fc1ccc(-c2nnc3cncc(Cc4cnc(Cl)c(F)c4)n23)cc1-c1ccccn1,BSSAMSYXGJBLPA-UHFFFAOYSA-N,3,1,0.346,14,358,434.837,4.771,5,0.381,0.8,1.0,0.41560722363100544,0.5781817558769105,0.9197621821670893,0.939371873072442,0.7132307586868618
EOS-3-22706,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)nn1,HZZPOTJMJVNAQK-UHFFFAOYSA-N,3,1,0.409,46,128,453.8,2.944,5,0.396,0.62,0.999,0.634260845726818,0.7757093413748201,0.3246179151531766,0.4355681584538414,0.5425390651771641
EOS-3-22707,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(F)(F)F)nc5)n34)cc2)s1,IAFIDULXNXKJIZ-UHFFFAOYSA-N,3,1,0.438,61,121,439.426,4.699,5,0.405,0.73,1.0,0.25043691316565003,0.4192824343773559,0.8823589884175177,0.7735847440202864,0.5814157699952025
EOS-3-22709,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCCBr)n34)c2)cn1,FHMBCNRRGDDOCS-UHFFFAOYSA-N,3,1,0.488,68,636,425.29,3.721,4,0.346,0.82,1.0,0.6706874100472894,0.6071208279076142,0.19494894112809266,0.19839284490439313,0.41778750599684733
EOS-3-22710,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cn2)nn1,KGOKUTVWABQHTF-UHFFFAOYSA-N,3,1,0.365,50,845,416.38,1.282,5,0.462,0.67,1.0,0.09756013981221301,0.17164690562675622,0.14665718593653623,0.13790178877390172,0.13844150503735178
EOS-3-22711,Fc1cc(-c2nnc3cncc(-c4ccnc(-c5ccc(Cl)nc5)n4)n23)ccc1Cl,IFIAAVPZYXCIQZ-UHFFFAOYSA-N,3,1,0.354,45,575,438.253,4.756,5,0.378,0.78,1.0,0.42503940785415667,0.7224916044136797,0.8589113151942979,0.9181516003015557,0.7311484819409224
EOS-3-22712,FC(F)n1cc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c2)nn1,GWROTUAOSFYDEK-UHFFFAOYSA-N,3,1,0.448,27,94,455.816,3.467,5,0.383,0.69,1.0,0.3190579809471592,0.485299157014598,0.6019035706942636,0.5829535329997944,0.4973035604139538
EOS-3-22713,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)n5)nn4)n23)cc1F,PLXZZLGERZANEK-UHFFFAOYSA-N,3,1,0.313,74,997,458.392,1.966,5,0.311,0.77,0.999,0.09515283393872935,0.15972174628195462,0.3992272633815366,0.3974539099444863,0.2628889383866767
EOS-3-22714,Fc1cccc(-c2cccnc2-c2nnc3cncc(-c4ccnc(-c5nccnn5)c4)n23)c1,SAKXUDHBCWJLNU-UHFFFAOYSA-N,3,1,0.322,64,693,447.437,3.906,6,0.4,0.65,1.0,0.22291138372969638,0.2681276129120691,0.45370433829072715,0.5409070659995888,0.37141260023302036
EOS-3-22715,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)cnn3)n12,DYNVZBPRUQGQKE-UHFFFAOYSA-N,3,1,0.506,19,207,447.861,4.057,5,0.387,0.69,1.0,0.8166592419984923,0.8166592419984923,0.739993831814132,0.8033890754574737,0.7941753478171476
EOS-3-22716,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ncc(F)cn6)c5)n34)nc2)n1C,PABJAQLCETUZEP-UHFFFAOYSA-N,3,1,0.282,86,902,464.468,3.553,6,0.389,0.67,1.0,0.2287368926050305,0.19776745939277637,0.2808237954903708,0.25119936947433347,0.2396318792406278
EOS-3-22717,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)ncn1,DKOFDGUMZRCKCM-UHFFFAOYSA-N,3,1,0.489,2,422,430.859,3.579,5,0.39,0.7,1.0,0.6119268727297649,0.5539973271194572,0.5467068741004729,0.497318552532383,0.5524874066205194
EOS-3-22718,COc1ncc(F)cc1-c1cc(F)cc(-c2nnc3cncc(OCc4nnnn4C)n23)c1,NIVNVTTZTOKKGH-UHFFFAOYSA-N,3,1,0.462,36,404,451.397,2.243,5,0.383,0.65,1.0,0.49157871290521554,0.4810842300047975,0.2371496127749983,0.24250394078541568,0.3630791241176068
EOS-3-22719,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)c5)ncn4)n23)cn1,GQUNPDWIAHXWIJ-UHFFFAOYSA-N,3,1,0.449,4,354,459.857,2.37,5,0.378,0.66,1.0,0.4505003084092934,0.4237201014323898,0.24089335891988212,0.21044650812144472,0.33139006922075254
EOS-3-22720,CCn1c(-c2ccccn2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,SGBJVHJDHAYOOM-UHFFFAOYSA-N,3,1,0.311,8,608,446.478,3.589,6,0.395,0.63,1.0,0.08783668014529504,0.059540127475841274,0.04943972311698992,0.08125728188609417,0.0695184531560551
EOS-3-22721,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cn1,ZPAVLOLCLKHBSL-UHFFFAOYSA-N,3,1,0.462,55,283,450.865,3.662,5,0.377,0.72,1.0,0.545104859159756,0.5220169967788363,0.5666678089233089,0.5144010006168186,0.5370476663696799
EOS-3-22722,CC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1,UFDJONIVKJHCNE-UHFFFAOYSA-N,3,1,0.378,22,681,417.379,3.52,5,0.416,0.77,0.997,0.05972859982180796,0.25756459461311765,0.6551384415050373,0.6221043794119663,0.3986340038379823
EOS-3-22723,Cc1ncncc1-c1cccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,UCQJUHSCIUDSJK-UHFFFAOYSA-N,3,1,0.377,33,53,479.504,2.818,6,0.374,0.78,0.996,0.2688386676718525,0.08145432115687752,0.0607309300253581,0.0557792474813241,0.11670079158385306
EOS-3-22724,Cc1ncc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5nccs5)c4)n23)cn1,LHHDHLLUFCOQGE-UHFFFAOYSA-N,3,1,0.264,86,780,439.468,2.656,6,0.407,0.64,0.697,0.010640120622301418,0.017759235144952368,0.0587605373175245,0.05430573641285724,0.03536640737440888
EOS-3-22725,COc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCc3cc(C)nn3C)n12,CQAUXKILRGDFDJ-UHFFFAOYSA-N,3,1,0.424,36,224,428.456,2.878,5,0.407,0.68,1.0,0.2369097388801316,0.12661914879035022,0.2882941539305051,0.15789699129600437,0.20243000822424784
EOS-3-22726,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)cn2)no1,NHHIRBXNCFPPNZ-UHFFFAOYSA-N,3,1,0.465,55,980,438.81,3.311,5,0.407,0.69,1.0,0.6614094304708382,0.6743369200191899,0.36550784730313207,0.40351072578987046,0.5261912308957577
EOS-3-22727,COCc1cc(C)c(-c2nnc3cncc(Cc4ccc(-c5cn(C)nn5)cc4F)n23)cn1,LFBTZUYIYUMBAP-UHFFFAOYSA-N,3,1,0.33,85,784,444.474,3.167,5,0.397,0.66,1.0,0.23950551709958193,0.29895140840243983,0.4463796175724762,0.36591905969433214,0.33768890069220747
EOS-3-22728,c1ccc(-c2nncc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)n2)nc1,GZXOPCRPIZNKRI-UHFFFAOYSA-N,3,1,0.292,94,892,431.423,2.557,6,0.41,0.63,0.394,0.07898704680967719,0.06724179288602564,0.07531183606332671,0.10859433897608115,0.08253375368377766
EOS-3-22729,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)c2)nn1,DTQKKNNUAKYFJY-UHFFFAOYSA-N,3,1,0.432,53,785,445.874,3.017,5,0.388,0.62,0.994,0.5503306832979233,0.5540058940442739,0.2622164347885683,0.3055222397368241,0.41801881296689736
EOS-3-22730,Cc1nc(F)cc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)c1F,WRBOUKQRRMUBFR-UHFFFAOYSA-N,3,1,0.398,97,560,430.418,4.414,5,0.384,0.8,1.0,0.7640840243986019,0.602203413062847,0.792551915564389,0.7688815022959359,0.7319302138304434
EOS-3-22731,CC(F)(F)c1ccc(-c2nnc3cncc(-c4nnn(-c5cccnc5F)n4)n23)cn1,JWKJSDBDQFWFOZ-UHFFFAOYSA-N,3,1,0.376,50,542,424.35,2.475,5,0.405,0.65,0.73,0.03112363785895415,0.2732677678020698,0.4742735247755466,0.4035192927146871,0.2955460557878144
EOS-3-22732,Cc1nc(-c2nncc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)nnc1Cl,QCJGEWFBIUIWQV-UHFFFAOYSA-N,3,1,0.369,50,974,446.822,0.951,5,0.415,0.56,0.736,0.15673188952093756,0.1932355561647591,0.006211020492084162,0.005645603454184086,0.09045601740799122
EOS-3-22733,N#Cc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4-c4ccccc4)n23)cn1,RIBTWTUXEFKHMR-UHFFFAOYSA-N,3,1,0.5,1,700,439.866,4.352,5,0.401,0.72,1.0,0.8320711397436776,0.934882804468508,0.747549859502433,0.7946165444452059,0.8272800870399561
EOS-3-22734,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3ncc(-c4cnn(C(F)F)c4)cn3)n12,DKPZYLKERFXNSS-UHFFFAOYSA-N,3,1,0.329,50,261,438.829,4.469,5,0.411,0.72,1.0,0.18705023644712493,0.432663970940991,0.807304160098691,0.8011873757795902,0.5570514358165992
EOS-3-22735,OCc1cc(-c2nnc3cncc(OCc4ncnnc4-c4ccccn4)n23)ccc1Cl,AXQAOZFTSOLWBA-UHFFFAOYSA-N,3,1,0.474,4,633,446.858,2.763,5,0.419,0.63,0.825,0.6314508943869509,0.7965441025289562,0.3733380165855664,0.4355767253786581,0.5592274347200329
EOS-3-22736,CC(C)(O)c1cnc(-c2nnc3cncc(-c4cnc(COCC(F)F)cn4)n23)cn1,VKXLJQWQUMXPST-UHFFFAOYSA-N,3,1,0.274,68,828,428.403,2.047,4,0.471,0.59,0.457,0.32666541018436024,0.2887225001713385,0.5196867932287026,0.30209546981015695,0.3592925433486396
EOS-3-22737,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)cn2)c1,LLKUQZRJXYUURM-UHFFFAOYSA-N,3,1,0.362,30,220,446.449,4.511,6,0.393,0.7,0.995,0.2064628880816942,0.3954920841614694,0.5567044753615242,0.665410184360222,0.4560174079912275
EOS-3-22738,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)cc4F)n23)cc1,UFDQFFCAIALCSJ-UHFFFAOYSA-N,3,1,0.561,43,402,416.42,3.008,5,0.435,0.74,1.0,0.7784421903913371,0.5884106641080118,0.44638818449729284,0.43831814131999175,0.5628897950791584
EOS-3-22739,Clc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5ccccc5)c4)n23)nn1,CNTXGYBGLSHZEN-UHFFFAOYSA-N,3,1,0.462,72,482,430.859,3.313,5,0.404,0.64,1.0,0.6459204304023027,0.7586611609896512,0.26938695086011927,0.3659276266191488,0.5099740422178055
EOS-3-22740,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)o1,SNJANCGLYKFFBB-UHFFFAOYSA-N,3,1,0.286,76,892,422.412,2.699,6,0.421,0.69,0.875,0.07291309711465972,0.03141491330272086,0.08183983277362758,0.10015591803166335,0.07158094030566788
EOS-3-22741,Fc1ccc(-c2nnc3cncc(-c4ncnc(CCc5cccc(Cl)n5)n4)n23)cn1,DLIJWGJZJNZZIJ-UHFFFAOYSA-N,3,1,0.356,29,849,433.838,3.011,5,0.389,0.65,0.691,0.40675759029538755,0.4899252964155987,0.17840620930710713,0.30553080666164073,0.3451549756699335
EOS-3-22742,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ccc2F)nn1,YYHMLWRAPUGSBG-UHFFFAOYSA-N,3,1,0.483,13,145,434.381,4.766,5,0.406,0.76,1.0,0.8063275306695908,0.869945514358166,0.9236601329586731,0.9171235693235557,0.8792641868274964
EOS-3-22743,CCn1ncnc1-c1cccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c1,IPRFJTLAKCKQOS-UHFFFAOYSA-N,3,1,0.483,13,145,419.395,4.14,5,0.426,0.78,1.0,0.4434154615859091,0.45474950311836065,0.5922143787266123,0.6162788705366322,0.5266645534918786
EOS-3-22744,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5cnc(-c6ccnnc6)nc5)n34)c2)nn1,NYCSSPJCUFWWRZ-UHFFFAOYSA-N,3,1,0.255,99,719,435.415,1.291,6,0.394,0.63,1.0,0.021922760605852923,0.011316907682818176,0.055136728120074016,0.05869200191899116,0.03676709958193407
EOS-3-22745,Cc1cccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnnc(C)c6)cn5)n34)cn2)c1,YDEUKZNHZUBYDP-UHFFFAOYSA-N,3,1,0.291,42,106,457.501,4.384,6,0.384,0.73,1.0,0.07669967788362689,0.09726029744362963,0.4064491810019875,0.37227571790829966,0.23817121855938594
EOS-3-22746,Cc1cnnc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)n1,GITVACVBJHOVKY-UHFFFAOYSA-N,3,1,0.406,92,587,441.415,0.815,5,0.395,0.61,0.999,0.32141388527174286,0.11324617915153176,0.02506682201357001,0.011668151600301557,0.11784875950928655
EOS-3-22747,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)cn5)n4)n23)cc1,WDXJGCANHDJUCS-UHFFFAOYSA-N,3,1,0.523,1,268,428.883,4.789,5,0.4,0.76,1.0,0.8416318278390789,0.8420858748543623,0.67474813241039,0.6741655815228565,0.7581578541566719
EOS-3-22748,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nccnn5)cn4)n23)c(F)c1,DRVSXRZFYUMRPC-UHFFFAOYSA-N,3,1,0.459,7,212,444.39,1.25,5,0.404,0.63,1.0,0.5476749366047563,0.35784901651703105,0.13785895414981839,0.10637550544856418,0.28743960318004247
EOS-3-22749,COCc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(C)nc5C)n34)ccn2)n1,LMODSZLFUWVREQ-UHFFFAOYSA-N,3,1,0.462,24,43,453.506,3.986,5,0.365,0.74,1.0,0.44577136591049277,0.1481221300801864,0.3581831265848811,0.20457816462202727,0.2891636967993969
EOS-3-22750,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nn1,WCDYMLJPZLYRMJ-UHFFFAOYSA-N,3,1,0.427,58,88,448.849,3.452,5,0.364,0.69,0.997,0.6285724076485505,0.6257281886094168,0.4354824892056747,0.4852563223905147,0.5437598519635392
EOS-3-22751,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6nccnn6)n5)n34)cc2)c1,HEOOGWZFKCAUHD-UHFFFAOYSA-N,3,1,0.4,71,428,461.449,2.469,6,0.361,0.64,1.0,0.5246470426975532,0.4636162703036118,0.11163559728599821,0.1134003837982318,0.30332482352134876
EOS-3-22752,Cc1cc(COc2cncc3nnc(-c4cncc(-c5ccc(CO)cn5)c4)n23)n(C)n1,MGVONQYVBPDIDP-UHFFFAOYSA-N,3,1,0.421,92,662,428.456,2.362,5,0.438,0.68,1.0,0.30105887190734015,0.16748338016585568,0.27310499623055307,0.17107292166403948,0.22818004249194707
EOS-3-22753,Fc1cc(Cc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nnc1-c1cncnn1,OOWGLGUYHNKJSZ-UHFFFAOYSA-N,3,1,0.358,22,844,454.256,3.47,5,0.406,0.61,1.0,0.40676615722020426,0.5833304776917277,0.494894112809266,0.7113374683023782,0.549082054005894
EOS-3-22754,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5nccs5)ccn4)n23)c1F,WKUDJSSGLRAPGB-UHFFFAOYSA-N,3,1,0.44,18,181,437.435,3.605,5,0.401,0.67,1.0,0.5425347817147557,0.45905009937632785,0.43170447536152423,0.4512798985676102,0.47114231375505444
EOS-3-22755,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cncs5)n34)c2)c(F)n1,SHEOQFMPAYVUID-UHFFFAOYSA-N,3,1,0.537,35,438,437.435,3.605,5,0.401,0.67,1.0,0.7726081145911864,0.7544119662805839,0.4354910561304914,0.4417363443218422,0.601061870331026
EOS-3-22756,COc1cccc(COc2cncc3nnc(-c4cccc(-c5cnc(C)o5)c4)n23)c1F,FKIOBLADEPNOFK-UHFFFAOYSA-N,3,1,0.495,1,655,431.427,4.481,5,0.392,0.76,1.0,0.8732352134877664,0.6743454869440065,0.7971266534164896,0.6396494414365019,0.7460891988211911
EOS-3-22757,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)n1,MVMSZJOKSCBYST-UHFFFAOYSA-N,3,1,0.528,75,359,428.431,3.107,5,0.406,0.65,1.0,0.834435610993078,0.6646220272770886,0.3467891165787129,0.3055393735864574,0.5378465321088343
EOS-3-22758,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cncnc5)n4)n23)nc1,ZAQMUDYMGCFBON-UHFFFAOYSA-N,3,1,0.412,18,367,428.431,3.107,5,0.406,0.65,0.998,0.6520629154958536,0.6399749845795353,0.32108834212870946,0.29291172640668905,0.4765094921526969
EOS-3-22759,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1,DBUYTLPMEXJHTL-UHFFFAOYSA-N,3,1,0.318,98,727,466.896,3.759,6,0.386,0.7,1.0,0.2202470701117127,0.2526471797683503,0.33205400589404427,0.38497190048660135,0.29748003906517717
EOS-3-22760,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(F)c1,NAMDRCFJKSMABE-UHFFFAOYSA-N,3,1,0.522,37,161,448.437,3.364,5,0.377,0.69,1.0,0.5861404290315948,0.5172880542800357,0.42054177232540607,0.43236412857240764,0.489083596052361
EOS-3-22761,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)ccnc5F)cn4)n23)cc1,PGAFMBSZVOHNAI-UHFFFAOYSA-N,3,1,0.342,25,219,468.431,3.384,6,0.362,0.72,1.0,0.20647145500651087,0.31411486532794186,0.5020903296552669,0.5474693304091564,0.392536495099719
EOS-3-22762,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)n5)n34)ccn2)cn1,YTLBUMBQZFAMDX-UHFFFAOYSA-N,3,1,0.511,51,441,432.394,3.204,5,0.39,0.69,1.0,0.6673548762936057,0.6354602152011514,0.5986909738880132,0.5042491947090673,0.6014388150229594
EOS-3-22763,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc(C)ncn5)nc4)n23)ccn1,RUTSGAUQOLFWPJ-UHFFFAOYSA-N,3,1,0.522,58,579,424.468,3.277,5,0.409,0.7,1.0,0.6372592694126517,0.4678483311630457,0.2845247070111713,0.18220992392570762,0.39296055787814405
EOS-3-22764,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,LBWBCQSNMWXFDW-UHFFFAOYSA-N,3,1,0.32,9,98,420.436,3.909,6,0.426,0.72,1.0,0.1754591871701734,0.0672503598108423,0.467736961140429,0.45763655678157766,0.29202076622575557
EOS-3-22765,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4ncccc4F)ccn3)n12,BGVWHBZENZRNFJ-UHFFFAOYSA-N,3,1,0.462,18,181,431.406,3.543,5,0.406,0.63,1.0,0.7371239120005483,0.5781903228017271,0.6611267219518882,0.6741741484476732,0.6626537763004592
EOS-3-22766,CCOc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,OBRITSCLJBRZSO-UHFFFAOYSA-N,3,1,0.409,96,46,428.883,4.967,5,0.393,0.84,1.0,0.57458364745391,0.8668956891234323,0.6080374888629977,0.6307912411760674,0.6700770166541018
EOS-3-22767,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)nc(C)n2)cn1,DFKDFDKEGGIDQE-UHFFFAOYSA-N,3,1,0.411,13,907,448.849,4.24,5,0.402,0.68,1.0,0.620176821328216,0.6119782742786649,0.5330254951682544,0.5310379686107874,0.5740546398464808
EOS-3-22768,COc1ccc(-c2nnc3cncc(OCc4ccnc(C)n4)n23)cc1-c1ccccn1,JOMIZVKDHMKAKP-UHFFFAOYSA-N,3,1,0.549,4,61,425.452,3.539,5,0.407,0.7,1.0,0.41338839010348843,0.22230313206771296,0.3693543965458159,0.22784593242409704,0.3082229627852786
EOS-3-22769,Cc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)cn2)n1,QYDCACGOFABLQH-UHFFFAOYSA-N,3,1,0.54,59,268,430.418,4.414,5,0.411,0.72,1.0,0.8938900692207525,0.8782982660544171,0.8207028305119595,0.7808580631896375,0.8434373072441916
EOS-3-22770,COc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)nc(C)n4)n23)c1,CETKYMJJOWVBEB-UHFFFAOYSA-N,3,1,0.562,44,531,457.469,3.721,5,0.341,0.75,1.0,0.6826297032417243,0.6213590569529162,0.48840895072304846,0.37541121239120007,0.5419522308272222
EOS-3-22771,Cc1cc(Cl)cc(-c2nnc3cncc(OCc4cnnc(-c5nccn5C)c4)n23)c1,XRONFHSQSQGHAP-UHFFFAOYSA-N,3,1,0.489,16,659,432.875,3.523,5,0.419,0.65,1.0,0.46442156123637857,0.48109279692961415,0.3845435542457679,0.39154273182098553,0.43040016105818657
EOS-3-22772,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)nc2)n1,GNCKAKGPGGIWBQ-UHFFFAOYSA-N,3,1,0.391,16,412,447.886,3.833,5,0.436,0.74,1.0,0.657956959769721,0.6597817147556713,0.5795181961483106,0.5144095675416352,0.6029166095538345
EOS-3-22773,Cn1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)n2)cn1,PJIFCNWFBGFJMS-UHFFFAOYSA-N,3,1,0.238,99,286,425.42,0.963,6,0.404,0.66,0.985,0.0004711808649167295,0.008001507778767734,0.016791172640668907,0.012439174833801659,0.009425759029538757
EOS-3-22774,Fc1ccc(-c2cnncc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1,NNZNHGIKTNHCKU-UHFFFAOYSA-N,3,1,0.362,32,20,446.449,4.511,6,0.393,0.71,1.0,0.2688472345966692,0.3861541361113015,0.7088787608799945,0.7534610376259337,0.5293352923034748
EOS-3-22776,FC(F)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnn5)cc4)n23)cn1,ZNLHTFBLPNSSAT-UHFFFAOYSA-N,3,1,0.383,14,886,429.434,4.366,5,0.399,0.73,0.998,0.37578815708313346,0.47209752587211296,0.782237338085121,0.7326776780206977,0.5907001747652663
EOS-3-22777,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)nnc1Cl,JLECSIYIQSFLAQ-UHFFFAOYSA-N,3,1,0.453,87,131,449.837,2.847,5,0.385,0.62,1.0,0.7070711397436776,0.7271520115139469,0.2693955177849359,0.3303234870810774,0.5084855390309094
EOS-3-22778,Cc1cc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)ccn1,PLOLBZFYBXWAIS-UHFFFAOYSA-N,3,1,0.296,98,42,446.478,3.414,6,0.405,0.64,1.0,0.13732780481118498,0.017767802069769037,0.23010760057569735,0.21630628469604551,0.15037737303817422
EOS-3-22779,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cn1,NYOVXLCQNSKLRX-UHFFFAOYSA-N,3,1,0.333,70,392,449.453,3.85,6,0.377,0.69,1.0,0.24483414433554931,0.3089490096634912,0.5890274826948119,0.5637978891097252,0.4266521314508944
EOS-3-22780,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nc1,YVAWXXWONNXHRA-UHFFFAOYSA-N,3,1,0.326,70,191,437.492,3.772,6,0.414,0.64,1.0,0.09994174491124666,0.11607326434103214,0.3061818929477075,0.2840363922966212,0.20155832362415188
EOS-3-22781,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)n4)n23)n(C)n1,KUFYJSPEJAWBPZ-UHFFFAOYSA-N,3,1,0.383,31,662,435.398,2.542,5,0.388,0.67,0.998,0.3940014392433692,0.3718645055170996,0.1983671441299431,0.17108148858885613,0.283828644369817
EOS-3-22782,Cn1ncc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)c4)n23)c1-c1ccc(F)cc1,MDWNMUAYQMDQCZ-UHFFFAOYSA-N,3,1,0.354,3,673,454.444,4.323,6,0.396,0.71,1.0,0.0210232335001028,0.18883215680899185,0.7499400315262833,0.807561167843191,0.44183914741964225
EOS-3-22783,c1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)cn2)nc1,CFKBCMKUNJRCBK-UHFFFAOYSA-N,3,1,0.284,86,780,419.412,2.286,6,0.423,0.66,1.0,0.004668974025083956,0.02861352888767048,0.17841477623192378,0.17109005551367282,0.09569683366458775
EOS-3-22784,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cc1,ZEOOXIHZQZLDMF-UHFFFAOYSA-N,3,1,0.569,40,722,436.435,4.034,6,0.398,0.71,1.0,0.527259954766637,0.3480141868274964,0.4205503392502227,0.35280309780001373,0.4121568946610925
EOS-3-22785,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)n1,BZNBAIPTJHMOEC-UHFFFAOYSA-N,3,1,0.418,18,367,428.431,3.107,5,0.38,0.7,1.0,0.6146254540470153,0.5402217120142554,0.3320625728188609,0.2959444177917895,0.4457135391679803
EOS-3-22786,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)cn1,AHSBSVMVOWVDKP-UHFFFAOYSA-N,3,1,0.433,18,720,428.431,3.107,5,0.38,0.7,0.999,0.5528836268932904,0.49469707353848263,0.30260091837434033,0.26016037283256804,0.40258549790967035
EOS-3-22787,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nn4)n23)c(Cl)c1,KYGROJJCYGOAQS-UHFFFAOYSA-N,3,1,0.321,98,63,469.9,3.098,6,0.386,0.71,1.0,0.17546775409499007,0.29895997532725654,0.20546055787814407,0.2633044342402851,0.23579818038516898
EOS-3-22788,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nc2)cn1,PKKZKXDXSHUUND-UHFFFAOYSA-N,3,1,0.323,70,191,435.476,3.829,6,0.411,0.66,1.0,0.10518470289904736,0.1481306970050031,0.302609485299157,0.3055479405112741,0.2153682064286204
EOS-3-22789,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc(C)o5)n4)n23)nc1,HGMIRILANUWOBL-UHFFFAOYSA-N,3,1,0.309,76,776,413.401,1.966,5,0.469,0.72,0.997,0.1346292234939346,0.034593242409704614,0.03572407648550476,0.015591803166335412,0.055134586388869845
EOS-3-22790,Clc1nccc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)n1,OWAYUTISUSXLQH-UHFFFAOYSA-N,3,1,0.436,18,949,431.847,2.708,5,0.374,0.68,1.0,0.6285809745733671,0.607129394832431,0.13786752107463504,0.15505277225687067,0.3821576656843259
EOS-3-22791,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)cn1,FLNVWJZZYWTROC-UHFFFAOYSA-N,3,1,0.359,42,983,419.408,3.36,6,0.423,0.72,1.0,0.17547632101980673,0.13326708244808444,0.34288259886231237,0.33033205400589405,0.24548951408402442
EOS-3-22792,Fc1cnc(-n2cnc(-c3cncc4nnc(-c5ccc(Cl)c(C(F)(F)F)c5)n34)n2)nc1,GDDWEGNDDRQXFP-UHFFFAOYSA-N,3,1,0.34,50,243,461.77,3.64,5,0.378,0.7,0.992,0.13980364608320198,0.41929100130217256,0.8987646494414365,0.8879360564731684,0.5864488383249948
EOS-3-22793,O=C(c1ccc(-c2cncc3nnc(-c4cnccc4-c4cccc(F)c4)n23)cc1)N1CC(F)C1,GKWDMKRSGYRNOK-UHFFFAOYSA-N,3,1,0.351,62,376,468.467,4.453,6,0.39,0.78,1.0,0.25533719416078404,0.2782879857446371,0.5365807689671716,0.6832807895277911,0.4383716846000959
EOS-3-22794,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)ccc4F)n23)c1F,RARJXHOEVITFAF-UHFFFAOYSA-N,3,1,0.54,35,325,445.433,3.851,5,0.392,0.68,1.0,0.9224864642587897,0.866904256048249,0.6551470084298541,0.6039167980261805,0.7621136316907683
EOS-3-22795,c1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5nccs5)n34)nn2)cc1,WXCKYVXWAXBAFV-UHFFFAOYSA-N,3,1,0.306,10,37,424.453,2.953,6,0.424,0.69,0.977,0.005928311973134124,0.016200054828318825,0.06664210814885889,0.10860290590089781,0.04934334521280241
EOS-3-22796,Cc1nnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)[nH]2)s1,LTPPVZLJOTXXMQ-UHFFFAOYSA-N,3,1,0.37,3,774,455.482,4.209,6,0.424,0.7,1.0,0.15392193818107053,0.40521554382838737,0.230116167500514,0.3754197793160167,0.29116835720649714
EOS-3-22797,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(Cl)c2)n1C,XGDNTZVDXSFIEU-UHFFFAOYSA-N,3,1,0.518,20,658,446.902,3.565,5,0.393,0.66,1.0,0.5861489959564115,0.639983551504352,0.2731135631553697,0.27205126447810296,0.4428243437735591
EOS-3-22798,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)nc1,CBMSFVSWVKKNDI-UHFFFAOYSA-N,3,1,0.612,84,360,461.888,4.366,5,0.371,0.78,1.0,0.8344441779178946,0.8281389212528271,0.6908453841409088,0.7054177232540607,0.7647115516414228
EOS-3-22799,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,QIAOZBBUPIVRNB-UHFFFAOYSA-N,3,1,0.384,92,643,433.863,3.092,5,0.402,0.65,0.942,0.3804828318826674,0.32396682886710987,0.3026180522239737,0.31776437529984236,0.3312080220683983
EOS-3-22800,Cc1nncn1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)nc1,SMNQHZMERJWAOC-UHFFFAOYSA-N,3,1,0.302,39,972,450.441,3.339,6,0.402,0.63,1.0,0.037625933794805014,0.10714652868206428,0.27312213008018643,0.3335103831128778,0.18785124391748337
EOS-3-22801,Cc1cncc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)n1,HLUJLOWXSYHYCH-UHFFFAOYSA-N,3,1,0.495,15,846,443.898,4.227,5,0.388,0.69,1.0,0.7342625591117813,0.7544205332054006,0.4393547392228086,0.47321122609827976,0.6003122644095675
EOS-3-22802,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5c(F)ccnc5Cl)n34)c2)nn1,CUULDUJAMNOTOF-UHFFFAOYSA-N,3,1,0.457,16,55,448.849,3.718,5,0.375,0.7,1.0,0.7840278253718045,0.7179340004112124,0.5666763758481256,0.5889161126721952,0.6643885785758344
EOS-3-22803,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)cn1,WZTXINQYUWAOFH-UHFFFAOYSA-N,3,1,0.57,15,922,443.898,4.227,5,0.388,0.68,1.0,0.9185114111438558,0.9099359194023713,0.5165341648961689,0.5006682201357001,0.7114124288945239
EOS-3-22804,Cc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)s5)n34)cn2)cn1,YXUGFFHNMJACAQ-UHFFFAOYSA-N,3,1,0.409,7,828,445.468,2.086,5,0.415,0.61,1.0,0.2905558220821054,0.0710026728805428,0.03573264341032143,0.01560037009115208,0.10322287711603043
EOS-3-22805,Cn1c(C#N)ccc1-c1cc(COc2cncc3nnc(-c4ccc(CO)cn4)n23)ccn1,JGENDTZWVIDQFW-UHFFFAOYSA-N,3,1,0.426,33,348,438.451,2.53,5,0.428,0.66,0.999,0.5191128092659859,0.3039716263450072,0.5795267630731272,0.44489753957919265,0.46187718456582827
EOS-3-22806,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cn2)nc1,MDCWYWAUNJAOEN-UHFFFAOYSA-N,3,1,0.483,73,930,452.812,3.549,5,0.399,0.66,1.0,0.7812350078815709,0.8420944417791789,0.5953241724350627,0.6396580083613186,0.7145779076142827
EOS-3-22807,Cn1nnnc1-c1cc(F)nc(COc2cncc3nnc(-c4ccc(Cl)nn4)n23)c1,VUYTWLLYGKKSLN-UHFFFAOYSA-N,3,1,0.402,53,728,439.802,1.538,5,0.371,0.66,0.984,0.4296569803303406,0.5448050167911727,0.07320437255842643,0.12900075388938387,0.2941667808923309
EOS-3-22808,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cn1,RVFOBYYOFKRDLD-UHFFFAOYSA-N,3,1,0.273,86,495,466.444,2.343,6,0.38,0.64,0.993,0.17548488794462339,0.2427352477554657,0.09158042629017887,0.12259269412651634,0.15809831402919605
EOS-3-22809,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)ccc1F,MTIXHCNRBPBHHM-UHFFFAOYSA-N,3,1,0.4,54,924,448.849,3.718,5,0.4,0.64,0.994,0.6430162428894524,0.6597902816804879,0.4884175176478651,0.5409156329244055,0.5830349187855527
EOS-3-22810,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cn1,CWRCESOTGBGKLW-UHFFFAOYSA-N,3,1,0.385,7,564,448.849,3.718,5,0.4,0.64,1.0,0.682638270166541,0.6071379617572477,0.6286066753478171,0.6072493317798643,0.6314080597628675
EOS-3-22811,COc1ccccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cn4)n23)ccn1,HGAMTCZTIKULEU-UHFFFAOYSA-N,3,1,0.33,32,179,460.501,4.324,6,0.378,0.74,0.995,0.14831916935096978,0.02862209581248715,0.4537129052155438,0.3690117195531492,0.2499164724830375
EOS-3-22812,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5nnc(Cl)o5)n4)n23)cc1,UZLXLCDTRZVHQC-UHFFFAOYSA-N,3,1,0.321,98,42,457.845,2.747,6,0.388,0.65,0.99,0.21463573435679528,0.2834538414090878,0.06665067507367556,0.10638407237338085,0.1677810808032349
EOS-3-22813,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)nc5)n34)cn2)n(C)n1,XQNWGZPGCTVILK-UHFFFAOYSA-N,3,1,0.289,70,899,435.451,3.612,6,0.413,0.65,0.997,0.11271502981289837,0.05571927900760743,0.1437101637996025,0.1473511068466863,0.11487389486669866
EOS-3-22814,Fc1cccc(-c2nnccc2-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)c1,DJKXRDZLWKGEMX-UHFFFAOYSA-N,3,1,0.326,3,118,453.416,3.774,6,0.401,0.63,0.949,0.018050510588719072,0.20250496881639365,0.533034062093071,0.662651634569255,0.3540602940168597
EOS-3-22815,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)nc1,QAONRGFNTSQSOS-UHFFFAOYSA-N,3,1,0.455,55,564,432.394,3.204,5,0.417,0.63,1.0,0.8440562675621959,0.7499914330751833,0.5666849427729422,0.5074360907408677,0.6670421835377973
EOS-3-22816,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)nn1,PPXOLVYYMQYLNV-UHFFFAOYSA-N,3,1,0.404,7,587,431.847,2.974,5,0.413,0.6,0.998,0.3574977725995477,0.4192995682269892,0.23012473442533068,0.23078438763621412,0.30942661572202046
EOS-3-22817,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cncnc6)[nH]5)n34)cc2)ccn1,MEVTYEPTSZEFCE-UHFFFAOYSA-N,3,1,0.317,42,407,436.414,3.235,6,0.418,0.66,0.923,0.1648104996230553,0.30895757658830786,0.484990747721198,0.5374545952984716,0.3740533548077582
EOS-3-22818,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)[nH]5)n34)cn2)cn1,VCEMKYOKQQRYNK-UHFFFAOYSA-N,3,1,0.323,42,407,436.414,3.235,6,0.418,0.66,0.646,0.18150743609074088,0.25757316153793436,0.3955948872592694,0.4417449112466589,0.31910509903365086
EOS-3-22819,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)nc(F)c5)cnn4)n23)nc1,PILGYWUSRCVYQH-UHFFFAOYSA-N,3,1,0.413,46,128,436.357,3.035,5,0.387,0.63,1.0,0.5605852923034748,0.6022119799876636,0.7194589130285792,0.7192790076074292,0.6503837982317867
EOS-3-22820,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5cc(F)cnn5)n4)n23)cc1,ZLGZWLXYTOQJFI-UHFFFAOYSA-N,3,1,0.291,39,527,455.392,2.564,6,0.394,0.62,0.902,0.021931327530669592,0.11950860119251594,0.184882804468508,0.317772942224659,0.16102391885408812
EOS-3-22821,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccnc(C)c3F)n12,DZUBCROQYKMMOM-UHFFFAOYSA-N,3,1,0.505,35,300,457.469,3.721,5,0.365,0.72,1.0,0.8440648344870125,0.6399921184291687,0.49850078815708315,0.3463350695634295,0.5822232026591735
EOS-3-22822,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)cn5)n34)n2)cc1,DUUCKFKTCVBGOQ-UHFFFAOYSA-N,3,1,0.26,10,871,418.424,2.891,6,0.429,0.68,0.973,0.0059368788979507914,0.010383112877801384,0.19495750805290932,0.24521965595229936,0.11412428894524021
EOS-3-22823,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cn(C)cn1,QVOFSTARICSQNZ-UHFFFAOYSA-N,3,1,0.438,51,196,448.874,3.223,5,0.39,0.67,1.0,0.6826468370913576,0.5497909670344733,0.3655164142279487,0.2781252141731204,0.469019858131725
EOS-3-22824,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)cc1,JHVIUJVCZQXSHW-UHFFFAOYSA-N,3,1,0.329,25,508,467.884,3.154,6,0.384,0.66,1.0,0.20104859159756014,0.26297032417243504,0.3246264820779933,0.4259646357343568,0.30365250839558633
EOS-3-22825,c1ccc(Oc2nccnc2-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1,XGGOCRSKMOBOQX-UHFFFAOYSA-N,3,1,0.378,32,20,444.458,4.498,6,0.383,0.77,1.0,0.2959444177917895,0.17616167500514016,0.3918168734151189,0.39746247686930297,0.31534636077033784
EOS-3-22826,Fc1cnn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)n1,REGIKYRRTYATHE-UHFFFAOYSA-N,3,1,0.296,30,301,435.426,3.635,6,0.417,0.65,0.944,0.024192995682269892,0.11608183126584881,0.2953018984305394,0.3819135083270509,0.20437255842642726
EOS-3-22827,COc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)n1,SMZTXPDOAQTMCR-UHFFFAOYSA-N,3,1,0.326,82,336,413.401,1.541,5,0.458,0.73,0.813,0.21758275649372902,0.14074600781303542,0.05685011308340758,0.03120074018230416,0.11159490439311905
EOS-3-22828,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cc1F,QHUUTQAHQOZIHH-UHFFFAOYSA-N,3,1,0.329,30,498,449.453,3.85,6,0.403,0.65,1.0,0.22025563703652937,0.2782965526694538,0.4130457131108217,0.48211226098279764,0.34842754094990064
EOS-3-22829,CCn1nc(-c2ccc(Cl)nc2)nc1-c1cncc2nnc(-c3ccc(C)nc3)n12,PXISVKGIJQYDKF-UHFFFAOYSA-N,3,1,0.41,50,336,417.864,3.489,5,0.412,0.79,1.0,0.15674045644575424,0.28873106709615515,0.06886094167637585,0.12499143307518333,0.15983097457336715
EOS-3-22831,Cc1cc(-c2ncncc2-c2nnc3cncc(OCCc4cnccn4)n23)ncc1F,PIAKOAZZRFSNJB-UHFFFAOYSA-N,3,1,0.44,65,658,429.419,2.502,5,0.401,0.64,0.999,0.6342694126516346,0.5930882050579124,0.2017253786580769,0.1931327530669591,0.40555393735864576
EOS-3-22832,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)cn1,ZUTMUMNLNDIBNU-UHFFFAOYSA-N,3,1,0.418,31,296,429.419,2.502,5,0.401,0.64,0.814,0.5920002056061956,0.4721060927969296,0.194966074977726,0.1822184908505243,0.36032271605784383
EOS-3-22833,Cc1nc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)c[nH]1,ICSOJDMDDXKYIS-UHFFFAOYSA-N,3,1,0.43,46,910,435.85,4.256,5,0.443,0.69,0.999,0.6088941813446646,0.5635494482900418,0.7751953258858201,0.7663542594750189,0.6784983037488864
EOS-3-22834,Cn1cncc1-c1cnc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4)n23)cn1,RORMYCFPKJETKK-UHFFFAOYSA-N,3,1,0.265,7,976,438.377,2.381,5,0.42,0.59,0.998,0.3114762524844082,0.24274381468028236,0.5020988965800837,0.32716229182372697,0.3458703138921253
EOS-3-22835,c1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c2)nc1,JRGDPPPLJLDQGH-UHFFFAOYSA-N,3,1,0.307,38,608,429.447,3.767,6,0.417,0.65,1.0,0.09995031183606333,0.11325474607634843,0.3808255088753341,0.3944297854842026,0.24711508806798713
EOS-3-22836,Fc1cccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5cc(F)ccn5)n34)nn2)c1,QCFZNMYPARDDJM-UHFFFAOYSA-N,3,1,0.274,10,872,454.404,3.169,6,0.399,0.62,0.874,0.013852717428551847,0.1230039065177164,0.4537214721403605,0.5703173188952094,0.29022385374545956
EOS-3-22837,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)n2)cc1F,NLBAFXIOEVUSTQ-UHFFFAOYSA-N,3,1,0.288,39,871,454.404,3.169,6,0.399,0.62,0.197,0.012242135563018298,0.12301247344253306,0.309780001370708,0.4196079775203893,0.21616064697416215
EOS-3-22838,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,CNSFGFKUMFJJIW-UHFFFAOYSA-N,3,1,0.625,35,545,415.432,3.347,5,0.423,0.79,1.0,0.5092180111027346,0.4947056404632993,0.6408916455349187,0.5858662874374615,0.5576703961346036
EOS-3-22839,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)nc2)nn1,LNOSPCNZLCQXFI-UHFFFAOYSA-N,3,1,0.243,86,249,422.416,1.624,6,0.416,0.67,0.994,0.00022274004523336303,0.004686107874717292,0.11473682406963197,0.10639263929819752,0.05650957782194503
EOS-3-22840,CCn1ncc(-c2nc(COc3cncc4nnc(-c5cc(F)cc(F)c5)n34)ccc2F)n1,DCUWYARPBOFIHS-UHFFFAOYSA-N,3,1,0.614,4,712,452.4,3.461,5,0.389,0.67,1.0,0.4179545610307724,0.5083870193955178,0.45373003906517717,0.5074446576656844,0.47187906928928797
EOS-3-22841,FCc1cc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)ccn1,BSUOGBWNLZAGPU-UHFFFAOYSA-N,3,1,0.402,55,390,448.849,3.74,5,0.362,0.71,1.0,0.7221917620450963,0.7457079706668495,0.4463967514221095,0.4544410938249606,0.592184394489754
EOS-3-22842,CCn1c(-c2cc(C)n(C)n2)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,FIXFMKVHZKYFAH-UHFFFAOYSA-N,3,1,0.307,8,882,466.513,2.574,6,0.38,0.68,1.0,0.04959392776368995,0.03142348022753752,0.008883901034884518,0.006827839078884243,0.02418228702624906
EOS-3-22843,COc1ccccc1-c1cnnc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c1,ZRAQKSHDJHGHSF-UHFFFAOYSA-N,3,1,0.372,9,787,461.489,3.719,6,0.382,0.7,1.0,0.09756870673702968,0.04105270372147214,0.3845521211705846,0.3271708587485436,0.2125860975944075
EOS-3-22844,N#Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)n1,OSGHOYWGWSHEBP-UHFFFAOYSA-N,3,1,0.444,51,196,459.832,3.281,5,0.388,0.67,1.0,0.8989531217874032,0.9139452402165719,0.605090466726064,0.6337211294633678,0.7629274895483518
EOS-3-22845,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5sccc5F)n34)cc2F)nn1C,CYKZFFLONHIYEN-UHFFFAOYSA-N,3,1,0.524,36,610,439.451,3.814,5,0.414,0.68,1.0,0.5920087725310123,0.6695565759714893,0.37334658351038313,0.37882084846823383,0.5034331951202796
EOS-3-22846,CCn1cncc1-c1ncc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1F,CHWYBJCCGGAHIU-UHFFFAOYSA-N,3,1,0.432,55,823,450.865,3.836,5,0.388,0.68,1.0,0.622961071893633,0.5681841546158591,0.5230364608320197,0.5374631622232884,0.5629112123912001
EOS-3-22847,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)s5)n34)cn2)nc1,AKKPKWYMHRXOHX-UHFFFAOYSA-N,3,1,0.286,94,557,435.476,3.829,6,0.411,0.7,0.999,0.06497155780960866,0.16367966554725516,0.262225001713385,0.2720598314029196,0.1907340141182921
EOS-3-22849,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cc5)n34)cc2)nc1,ZTWXUJGFCVMWOE-UHFFFAOYSA-N,3,1,0.328,9,894,434.488,4.434,6,0.405,0.76,1.0,0.052703721472140364,0.0942361729833459,0.4677455280652457,0.4821208279076143,0.27420156260708656
EOS-3-22850,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cn2)c1,LWLBZQPFFGFNEE-UHFFFAOYSA-N,3,1,0.693,84,56,446.873,4.662,5,0.377,0.77,1.0,0.9303166335412241,0.9616887122198615,0.8172503598108423,0.8460009594955795,0.8888141662668768
EOS-3-22851,Fc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,VXWFFSVGGKZGAI-UHFFFAOYSA-N,3,1,0.602,35,352,430.418,4.148,5,0.377,0.73,1.0,0.8622524158727983,0.8754112123912,0.860479062435748,0.8513038859570968,0.8623616441642108
EOS-3-22852,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cn2)cn1,NYYMPXUMEPZBLR-UHFFFAOYSA-N,3,1,0.495,87,282,446.421,3.246,5,0.392,0.65,1.0,0.8010503049825235,0.8421030087039956,0.5021074635049003,0.44820437255842643,0.6483662874374614
EOS-3-22854,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1-c1ncccn1,WDNXOMZQQPRWQI-UHFFFAOYSA-N,3,1,0.512,20,279,448.849,3.452,5,0.389,0.64,1.0,0.927686587622507,0.9433897608114591,0.4279178945925571,0.4911417997395655,0.6975340106915222
EOS-3-22855,c1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncnc6)nn5)n34)cc2)ccn1,VZTDDOJIXFDOKF-UHFFFAOYSA-N,3,1,0.312,42,620,418.424,2.891,6,0.429,0.69,1.0,0.0028185182646837093,0.026214789939003495,0.35819169350969776,0.3974710437941197,0.19617401137687618
EOS-3-22856,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1F,IUAVNTWOGNIWRN-UHFFFAOYSA-N,3,1,0.455,73,353,436.838,3.353,5,0.39,0.68,1.0,0.792346309368789,0.7715543828387362,0.46392467959701184,0.48212939483243095,0.627488691659242
EOS-3-22857,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cc(F)ccn5)cn4)n23)cn1,BEHXWNXUQZURMP-UHFFFAOYSA-N,3,1,0.29,86,652,451.429,2.64,6,0.398,0.62,1.0,0.13209341374820094,0.18439448975395792,0.17193818107052292,0.21346206565691178,0.17547203755739837
EOS-3-22858,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)cn4)n23)nc1,RGXIBFNZXVAKKF-UHFFFAOYSA-N,3,1,0.323,99,318,451.454,2.57,6,0.388,0.64,1.0,0.29056438900692205,0.15603796861078748,0.09158899321499554,0.06318107052292508,0.15034310533890755
EOS-3-22859,Cc1ccc(-c2nnc3cncc(-c4nc(CCc5cccc(F)c5F)nn4CCN)n23)cn1,BLLZRVQBQBEMRJ-UHFFFAOYSA-N,3,1,0.324,22,336,461.48,2.775,5,0.397,0.67,0.693,0.1346377904187513,0.1803766020149407,0.08682578301692824,0.184882804468508,0.14668074497978206
EOS-3-22861,Cc1nnc(-c2cnnc(-c3cncc4nnc(-c5cncnc5-c5cccnc5)n34)c2)o1,JPCXPWZVVLGZGA-UHFFFAOYSA-N,3,1,0.26,94,719,435.411,2.459,6,0.402,0.61,0.811,0.06682201357000891,0.07101123980535946,0.07091700363237612,0.08466691796312796,0.07335429374271812
EOS-3-22862,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nnc(CF)s4)n23)cc1F,KGWCOUDSKKGDSG-UHFFFAOYSA-N,3,1,0.489,36,610,441.427,2.626,5,0.396,0.66,1.0,0.4067747241450209,0.4853077239394147,0.06073949695017476,0.09014974984579535,0.26074292372010144
EOS-3-22863,Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)nn1,VLLJVFTYKMABOZ-UHFFFAOYSA-N,3,1,0.455,89,398,479.504,2.818,6,0.374,0.77,1.0,0.3214224521965595,0.11951716811733261,0.04429956822698924,0.04503632376122267,0.132568878075526
EOS-3-22864,CCn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)n1,RAJPVUVAIWEGSI-UHFFFAOYSA-N,3,1,0.435,11,503,445.914,4.345,5,0.37,0.78,1.0,0.26885580152148586,0.3284815982454938,0.23380851209649783,0.339978411349462,0.29278108080323484
EOS-3-22865,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccco6)cn5)n34)cc2)nc1,FBTMGPUPYNEXIH-UHFFFAOYSA-N,3,1,0.471,28,120,447.458,4.482,6,0.368,0.79,1.0,0.5635408813652252,0.4372130080186416,0.47428209170036323,0.43832670824480846,0.47834067233225963
EOS-3-22866,Fc1cncc(-c2ccc(CCc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)c1,SGOWOIYMPCSNOL-UHFFFAOYSA-N,3,1,0.409,14,358,448.864,4.965,5,0.38,0.81,1.0,0.5719450346103763,0.8087691042423412,0.9009920498937701,0.930830649030224,0.8031342094441779
EOS-3-22867,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cncc(Cl)c5)n4)n23)cc1,GQRPPTFDNZDCHF-UHFFFAOYSA-N,3,1,0.294,8,42,454.885,3.488,6,0.401,0.65,1.0,0.05973716674662463,0.16749194709067233,0.29531046535535604,0.36270646288808167,0.22131151052018366
EOS-3-22869,Cc1nnccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nc1,KZFYFXQXYLRIPV-UHFFFAOYSA-N,3,1,0.312,98,882,446.478,3.414,6,0.405,0.62,1.0,0.06683058049482558,0.03143204715235419,0.26223356863820163,0.23370570899869783,0.1485504763210198
EOS-3-22870,Cc1cnc(-c2nnc3cncc(OCc4c(F)c(F)nc(Cl)c4Cl)n23)cn1,QCZZVZBHPMJCSW-UHFFFAOYSA-N,3,1,0.422,68,244,424.198,3.449,4,0.464,0.63,1.0,0.6976046878212597,0.6990696319649099,0.7245648002193132,0.7713402097183195,0.7231448324309506
EOS-3-22871,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)nc1,OBMNUMROAQAHPT-UHFFFAOYSA-N,3,1,0.277,70,957,450.441,3.245,6,0.376,0.66,1.0,0.14526934411623604,0.23225789870468097,0.35455931738743063,0.36902028647796586,0.27527671167157836
EOS-3-22872,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)ncn2)s1,NZWDBRWBJWQJNY-UHFFFAOYSA-N,3,1,0.284,99,841,454.483,2.266,6,0.39,0.61,0.932,0.04514769378383935,0.0880851209649784,0.016071550956068808,0.014486669864985265,0.040947758892467954
EOS-3-22873,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4F)n23)c(F)c1,LFYDSQBBXOVDQS-UHFFFAOYSA-N,3,1,0.371,67,745,470.447,3.328,6,0.389,0.68,1.0,0.24227263381536562,0.4098845178534713,0.49490267973408264,0.5274055924885204,0.41861635597285995
EOS-3-22874,Cc1ncc(-c2ccnn2C)c(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)n1,RAFJOTOBLRZMCX-UHFFFAOYSA-N,3,1,0.324,98,882,448.494,3.358,6,0.407,0.65,1.0,0.13210198067301762,0.048283188266739774,0.22638098828044684,0.17642724967445686,0.1457983517236653
EOS-3-22875,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(Cl)cc(COC)n4)n23)cn1,COQTYVVPNIAKOR-UHFFFAOYSA-N,3,1,0.365,68,66,410.825,1.803,4,0.494,0.77,1.0,0.2688643684463025,0.26297889109725175,0.06074806387499143,0.04504489068603934,0.15940905352614626
EOS-3-22876,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c2)nn1,DZXNWBGSUDLSPU-UHFFFAOYSA-N,3,1,0.287,86,899,435.455,2.444,6,0.414,0.61,0.999,0.0562846960455075,0.023841751764786513,0.1408659447604688,0.12698752655746692,0.08699497978205743
EOS-3-22877,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)nc1,RYQAAIVGEFAKDN-UHFFFAOYSA-N,3,1,0.269,39,588,437.402,2.425,6,0.409,0.6,0.916,0.00594544582276746,0.0447107806181893,0.07092557055719279,0.13341272016996777,0.06374862929202933
EOS-3-22878,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5nc(C)n(C)n5)c(F)c4)n23)c1F,MJUIVPHMFNNGRN-UHFFFAOYSA-N,3,1,0.489,16,606,448.437,3.456,5,0.406,0.67,1.0,0.5664365019532589,0.5781988897265438,0.4205589061750394,0.3528116647248304,0.4795014906449181
EOS-3-22879,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cn4)n23)nn1,OVZSEBMKECKHDB-UHFFFAOYSA-N,3,1,0.438,87,602,436.888,3.375,5,0.399,0.65,1.0,0.4690734014118292,0.5540144609690906,0.212476869302995,0.27498971969022,0.3776386128435337
EOS-3-22880,Cn1cnnc1-c1nccc(COc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)n1,RMBUQBKOLHFJBY-UHFFFAOYSA-N,3,1,0.446,31,105,436.386,2.288,5,0.394,0.64,0.993,0.4338890411897745,0.3380508532657117,0.21932184223151258,0.20133986704132684,0.29815040093208145
EOS-3-22881,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)on2)nc1,TXNXZHKEJHXEIG-UHFFFAOYSA-N,3,1,0.623,73,665,423.795,3.608,5,0.422,0.69,1.0,0.94978925364951,0.9120005482831882,0.48499931464601465,0.5734185456788431,0.730051915564389
EOS-3-22882,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)n2)n1,HSHSYFVGGZKLRW-UHFFFAOYSA-N,3,1,0.292,76,935,433.439,2.501,6,0.412,0.62,1.0,0.0422092385717223,0.03144061407717086,0.03985333424713865,0.05578781440614077,0.04232275032554314
EOS-3-22883,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)c2)nn1,NYPAXVXHBVUYSR-UHFFFAOYSA-N,3,1,0.265,86,719,434.427,1.896,6,0.404,0.63,0.951,0.02103180042491947,0.009406483448701253,0.0607566307998081,0.06646220272770886,0.03941427935028442
EOS-3-22884,Cn1cc(-c2ccccn2)c(-c2nnc3cncc(-c4nnc(-c5ccsc5)o4)n23)n1,ABZLKLDNHPXSIU-UHFFFAOYSA-N,3,1,0.295,70,813,427.453,3.365,6,0.421,0.67,0.954,0.03482454937975464,0.010391679802618053,0.04758926735658968,0.069991775752176,0.040699318072784596
EOS-3-22885,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1,ZWWHDLJPTCQBPA-UHFFFAOYSA-N,3,1,0.558,4,931,432.875,3.697,5,0.403,0.67,1.0,0.2822544719347543,0.409893084778288,0.2550887533411007,0.30864060037009117,0.31396922760605855
EOS-3-22886,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cc(C)nnc5C)n4)n23)cn1,JZHDMDBBOUSDLL-UHFFFAOYSA-N,3,1,0.478,4,205,442.458,3.682,5,0.406,0.68,1.0,0.5861575628812281,0.635468782125968,0.30978856829552465,0.23079295456103077,0.4405519669659379
EOS-3-22887,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nncc(-c5ccccc5)n4)n23)nc1,IAVNGTKCVXAFBE-UHFFFAOYSA-N,3,1,0.298,39,77,448.425,3.301,6,0.4,0.61,0.356,0.20648002193132753,0.28346240833390446,0.16544445205948874,0.2809951339867041,0.23409550407785623
EOS-3-22888,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ncc(F)cn5)ncn4C)n23)nc1,ZDFXQFMVPUFQQL-UHFFFAOYSA-N,3,1,0.304,33,432,430.407,1.542,5,0.455,0.55,0.188,0.16481906654787198,0.1597303132067713,0.04944829004180659,0.03639229662120485,0.10259749160441368
EOS-3-22889,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5c[nH]nn5)cc4F)n23)cn1,HAQQUNMKXOSQMJ-UHFFFAOYSA-N,3,1,0.418,55,283,446.406,1.444,5,0.395,0.66,1.0,0.5016020149407169,0.40990165170310466,0.17842334315674047,0.11340895072304845,0.3008339901309026
EOS-3-22890,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cn1,MNBQUNXOFKWNRY-UHFFFAOYSA-N,3,1,0.429,7,535,431.847,2.974,5,0.413,0.63,1.0,0.47927660886848056,0.540230278939072,0.2917894592557056,0.2691813446645192,0.39511942293194435
EOS-3-22891,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)nn1,VSTYYJYYESNOHO-UHFFFAOYSA-N,3,1,0.435,92,875,431.847,2.974,5,0.413,0.63,1.0,0.4250479747789733,0.5128246864505517,0.2772256870673703,0.2691899115893359,0.37107206497155776
EOS-3-22892,Cc1cccc(COc2cccnc2-c2cncc3nnc(-c4ccc(Cl)cn4)n23)n1,FRBRYPZWSJCXKY-UHFFFAOYSA-N,3,1,0.354,44,586,429.871,4.184,5,0.413,0.71,0.999,0.48657562881228156,0.4811013638544308,0.4317130422863409,0.4417534781714756,0.4602858782811322
EOS-3-22893,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4cc(Cl)ccc4F)n23)cc1,RYOQNZKMRGBZGS-UHFFFAOYSA-N,3,1,0.35,61,46,433.878,4.838,5,0.405,0.81,1.0,0.2529641559865671,0.40064080597628676,0.4742906586251799,0.6039253649509972,0.43295524638475774
EOS-3-22894,Fc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,CHCYDPUORDYUGP-UHFFFAOYSA-N,3,1,0.505,72,639,447.861,4.057,5,0.362,0.72,1.0,0.7754951682544033,0.8385905695291618,0.6581968336645878,0.7083990130902611,0.7451703961346035
EOS-3-22895,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(F)c4-c4ccc(F)c(F)n4)n23)cc1,WZOHCJUWENERLC-UHFFFAOYSA-N,3,1,0.402,96,140,448.368,2.826,5,0.331,0.72,0.962,0.29595298471660614,0.34802275375231306,0.622961071893633,0.5921801110273456,0.4647792303474745
EOS-3-22896,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)cnn1,IUVGUNKKEPICCR-UHFFFAOYSA-N,3,1,0.506,20,846,432.394,2.938,5,0.403,0.63,1.0,0.769755328627236,0.8581488588856144,0.579535329997944,0.582962099924611,0.6976004043588513
EOS-3-22897,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6cccc(F)c6)n5)n34)cc2)n(C)n1,SAOLLHTZXLXLDT-UHFFFAOYSA-N,3,1,0.39,9,757,463.48,4.158,6,0.387,0.72,1.0,0.15122335686382016,0.3089661435131245,0.40976458090603796,0.41333698855458845,0.32082276745939275
EOS-3-22898,CC1CCCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(-c6cnoc6)cn5)n34)cc2)C1,BFYRRZXELNCRRN-UHFFFAOYSA-N,3,1,0.32,52,376,465.517,4.38,6,0.388,0.73,1.0,0.03232300733328764,0.002518675896100336,0.025075388938386678,0.09015831677061202,0.03751884723459667
EOS-3-22899,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)ncc1Cl,DDIHALYOLPTVOE-UHFFFAOYSA-N,3,1,0.506,73,930,424.783,3.003,5,0.419,0.7,1.0,0.6063840723733809,0.6354773490507847,0.47100095949557946,0.49732711945719965,0.5525473750942361
EOS-3-22900,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,PHTWDZOMSNVEBZ-UHFFFAOYSA-N,3,1,0.284,98,727,421.428,2.434,6,0.46,0.63,1.0,0.09516140086354602,0.08488965800836132,0.13163079980810088,0.144909533273936,0.11414784798848604
EOS-3-22901,Cc1cccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)n1,HWKJGGSRMYSQBV-UHFFFAOYSA-N,3,1,0.462,46,348,429.871,4.184,5,0.387,0.72,1.0,0.5745922143787267,0.48993386334041533,0.5795438969227606,0.5540487286683572,0.549529675827565
EOS-3-22902,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cc5F)nn4)n23)cc1,SVHUTNCMANEVJR-UHFFFAOYSA-N,3,1,0.309,25,219,469.419,2.779,6,0.383,0.65,1.0,0.13981221300801863,0.3622438489479816,0.2731306970050031,0.4035278596395038,0.29467865465012677
EOS-3-22903,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc1,SCYBHWNWVCZKPI-UHFFFAOYSA-N,3,1,0.329,38,983,431.463,3.711,6,0.419,0.65,1.0,0.0597457336714413,0.04471934754300596,0.45705400589404427,0.4164382153382222,0.2444893256116784
EOS-3-22904,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)cc4F)n23)cc1,LKJNNIJHHSYLFV-UHFFFAOYSA-N,3,1,0.529,97,91,430.418,4.414,5,0.384,0.76,1.0,0.9497978205743266,0.8316856281269276,0.8834812555685011,0.8476886436844631,0.8781633369885546
EOS-3-22905,FC(F)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnn5)nn4)n23)cn1,XTNOUTJWDGOTNW-UHFFFAOYSA-N,3,1,0.381,85,476,431.41,3.156,5,0.404,0.63,1.0,0.35505619902679736,0.4280892330888904,0.3582002604345144,0.3558015214858474,0.3742868035090124
EOS-3-22906,COc1ccc(-c2nnc3cncc(Oc4nnc(-c5ccc(F)c(F)c5)s4)n23)cn1,QLMGVLHYMBUKBQ-UHFFFAOYSA-N,3,1,0.406,13,706,439.407,3.784,5,0.408,0.72,1.0,0.6826554040161743,0.6450294702213694,0.5165427318209855,0.4482129394832431,0.5731101363854431
EOS-3-22907,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncs6)c(Cl)c5)n34)cn2)cn1,KYDPHBGJBIIQKC-UHFFFAOYSA-N,3,1,0.314,42,151,459.926,4.154,6,0.393,0.73,1.0,0.01721095195668563,0.17165547255157287,0.5264118292097869,0.5604653553560414,0.3189359022685217
EOS-3-22908,C#Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4C)n23)cc1C(F)F,UUZUBWRQTUPBIF-UHFFFAOYSA-N,3,1,0.31,50,974,442.433,3.876,5,0.393,0.69,0.278,0.1701134260845727,0.2834709752587211,0.7245733671441299,0.6072578987046809,0.44635391679802616
EOS-3-22909,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cncnc5F)n34)nn2)c1F,QPYFLTVDQGXZJX-UHFFFAOYSA-N,3,1,0.4,54,411,432.394,3.204,5,0.39,0.66,0.999,0.7494088821876499,0.5681927215406758,0.6019121376190802,0.5764855047632101,0.623999811527654
EOS-3-22910,Cn1ccnc1-c1ncccc1-c1nnc2cncc(-c3cccc(-c4cncnc4)n3)n12,UYJCGOKGNCSKBR-UHFFFAOYSA-N,3,1,0.269,94,165,432.451,3.106,6,0.418,0.61,1.0,0.04360564731683915,0.019369817010485915,0.1559265985881708,0.16844287574532246,0.09683623466520458
EOS-3-22911,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)nc1,KNXVOLUSRJELCP-UHFFFAOYSA-N,3,1,0.5,13,573,435.85,4.655,5,0.399,0.76,1.0,0.6489702556370365,0.5884192310328284,0.7475584264272497,0.7509509286546501,0.6839747104379412
EOS-3-22912,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnc6)n5)n34)cn2)ccn1,WQCPXRWUWJGACU-UHFFFAOYSA-N,3,1,0.32,42,723,448.425,3.301,6,0.374,0.64,0.994,0.24775546569803303,0.3380594201905284,0.39182544033993555,0.43558529230347476,0.3533064046329929
EOS-3-22913,Cc1ccnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)n1,SPSHIMOJCNIKLL-UHFFFAOYSA-N,3,1,0.518,55,390,430.859,3.579,5,0.39,0.67,1.0,0.5920173394558289,0.7884569255020218,0.3808340758001508,0.3592454252621479,0.5301384415050373
EOS-3-22914,Cn1cnnc1-c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnn5)ncn4)n23)cc1,YIYAAVCLMJZZSD-UHFFFAOYSA-N,3,1,0.323,98,890,448.454,1.82,6,0.384,0.63,1.0,0.109990747721198,0.05954869440065794,0.08683434994174491,0.08819649098759509,0.08614257076279899
EOS-3-22915,Fc1cncc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)(F)F)nn5)n34)cc2)c1,XNIWMPJGJFRCAU-UHFFFAOYSA-N,3,1,0.381,14,476,451.387,4.392,5,0.377,0.72,1.0,0.4690819683366459,0.5682012884654924,0.9584247138647112,0.929725515728874,0.7313583715989309
EOS-3-22916,Fc1ccc(-c2nnc3cncc(-c4cnc(Cl)nc4-c4ccnnc4)n23)cc1Cl,RXDFFGLKUJUKKT-UHFFFAOYSA-N,3,1,0.363,45,575,439.241,4.151,5,0.39,0.7,1.0,0.41118669042560485,0.6354859159756014,0.8073127270235076,0.8824189568912343,0.684101072578987
EOS-3-22917,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)cn1,OUIDFCKACNQIEO-UHFFFAOYSA-N,3,1,0.548,73,89,451.824,4.154,5,0.396,0.67,1.0,0.9368874648756083,0.9680882050579124,0.8916712356932356,0.8934445891302858,0.9225228736892606
EOS-3-22918,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)nn1,MWWAGKRELFDKAK-UHFFFAOYSA-N,3,1,0.533,58,241,444.886,3.622,5,0.391,0.65,1.0,0.6614179973956549,0.7133164279350285,0.31744739908162567,0.3303406209307107,0.5056306113357549
EOS-3-22919,COc1ccc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,JHRAQZKDGVXSQZ-UHFFFAOYSA-N,3,1,0.563,36,402,466.864,3.362,5,0.375,0.72,1.0,0.7037643067644438,0.8244465766568433,0.592222945651429,0.5638064560345418,0.6710600712768144
EOS-3-22920,Cn1nnnc1-c1nccnc1COc1cncc2nnc(-c3ccc(Cl)c(Cl)c3)n12,OHXNBFOMZNGRTQ-UHFFFAOYSA-N,3,1,0.511,36,728,455.269,2.658,5,0.394,0.64,1.0,0.49399458570351584,0.7039613460352272,0.10384826262764718,0.2601689397573847,0.3904932835309437
EOS-3-22921,Cn1nnc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)n1,XUUAWYXDDRCIJZ-UHFFFAOYSA-N,3,1,0.466,92,185,437.374,1.683,5,0.386,0.66,1.0,0.5066479336577342,0.4501833321910767,0.12595092865465013,0.10221197998766363,0.2962485436227812
EOS-3-22922,Cc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)cc(Cl)n1,ZVONGNGSVCPBHA-UHFFFAOYSA-N,3,1,0.322,8,890,470.888,2.586,6,0.356,0.71,1.0,0.04789767664998972,0.1407545747378521,0.06665924199849223,0.10640120622301419,0.09042817490233707
EOS-3-22923,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5cnc(C(F)F)nc5)n34)c2)cn1,GANZOUAPEFXJNH-UHFFFAOYSA-N,3,1,0.449,2,419,450.384,3.694,5,0.361,0.71,1.0,0.8036803509012405,0.7271605784387636,0.777645466383387,0.6916335412240422,0.7500299842368583
EOS-3-22924,CCn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)c(F)c1,GVQMAEHJTNERSD-UHFFFAOYSA-N,3,1,0.484,20,846,430.447,3.225,5,0.391,0.68,1.0,0.49908333904461655,0.47211465972174627,0.28453327393598793,0.26331300116510176,0.37976106846686314
EOS-3-22925,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccnc5F)c4)n23)cc1F,SBWWJBJWRQWOIC-UHFFFAOYSA-N,3,1,0.311,98,151,456.42,3.113,6,0.376,0.65,0.994,0.014589472962785278,0.2071568089918443,0.4884260845726818,0.5006767870605168,0.3027122883969571
EOS-3-22926,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)ncn1,UBGCAGMBIMHCAE-UHFFFAOYSA-N,3,1,0.289,99,356,453.405,1.43,6,0.381,0.63,0.925,0.06891234322527585,0.167500514015489,0.03442190391337126,0.08293639915016106,0.08844279007607428
EOS-3-22927,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccnc5)c4)n23)nc1,RLJFDTQDXNBCPT-UHFFFAOYSA-N,3,1,0.262,86,151,421.428,2.23,6,0.425,0.66,0.999,0.0002655746693167021,0.008010074703584402,0.1654530189843054,0.16845144267013912,0.0855450277568364
EOS-3-22928,Cc1ccc(-c2ncc(Cl)c(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)nn1,AMGJPGFZEQGOSC-UHFFFAOYSA-N,3,1,0.511,89,731,473.884,2.678,5,0.393,0.7,1.0,0.5272685216914537,0.43267253786580767,0.13787608799945172,0.11341751764786512,0.30280866630114456
EOS-3-22929,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)n1,FTEISONXFXGEPD-UHFFFAOYSA-N,3,1,0.376,51,924,449.837,3.113,5,0.373,0.65,1.0,0.5664450688780756,0.5728702624905764,0.27313926392981974,0.30555650743609075,0.4295027756836406
EOS-3-22930,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)ccn1,CMOHVCVHENLIMZ-UHFFFAOYSA-N,3,1,0.59,35,325,431.406,3.543,5,0.38,0.69,1.0,0.957525186758961,0.9457713659104928,0.6962682475498595,0.6683400726475225,0.816976218216709
EOS-3-22931,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ncnn4C)n23)cc1Cl,TYITZPJHAJETSU-UHFFFAOYSA-N,3,1,0.511,36,353,435.879,2.595,5,0.404,0.66,1.0,0.5066565005825509,0.5592145843328079,0.09384209444177918,0.12900932081420052,0.3221806250428346
EOS-3-22932,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cc4Cl)n23)c1F,DKJATHJWIWYHNN-UHFFFAOYSA-N,3,1,0.451,16,606,449.877,4.267,5,0.398,0.72,1.0,0.5719536015351929,0.6597988486053047,0.7587810979370845,0.7139760811459118,0.6761274073058735
EOS-3-22933,N#Cc1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)nn5cccc45)n23)c(F)c1,RWEPRUVSECGKLC-UHFFFAOYSA-N,3,1,0.379,3,783,450.412,4.318,6,0.398,0.72,0.988,0.26087142759235143,0.5540230278939072,0.8172589267356589,0.8768076211363169,0.6272402508395587
EOS-3-22934,Cc1ccc(-c2nnc3cncc(COCc4ccc(-c5cccnc5F)cn4)n23)cn1,ZMRWBEXJAFQRIM-UHFFFAOYSA-N,3,1,0.396,14,290,427.443,3.808,5,0.381,0.74,1.0,0.5166369679939689,0.5128332533753683,0.620022616681516,0.547477897333973,0.5492426838462066
EOS-3-22935,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)n1,RQEODHYVHGLUBQ-UHFFFAOYSA-N,3,1,0.307,30,195,434.438,4.24,6,0.386,0.72,0.909,0.01805907751353574,0.14813926392981974,0.6050990336508807,0.6337296963881845,0.3512567678706052
EOS-3-22936,CC(c1ccccc1)N(C)Cc1cc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)ncn1,TYGXFULKJULKKY-UHFFFAOYSA-N,3,1,0.28,52,776,465.521,2.935,5,0.389,0.65,0.988,0.15923343156740458,0.017776368994585703,0.30262661914879035,0.18222705777534096,0.1654658693715304
EOS-3-22937,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5cc(=O)n(C)cn5)c4)n23)n1,WRQFRTLJFPQUHC-UHFFFAOYSA-N,3,1,0.478,24,43,426.44,2.229,5,0.42,0.65,1.0,0.2553457610856007,0.11025632239051471,0.1880954012747584,0.125,0.16967437118771844
EOS-3-22938,CNC(=O)c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(C)c4)n23)cn1,LTDCMTMRUPJITQ-UHFFFAOYSA-N,3,1,0.598,90,636,408.849,3.087,4,0.545,0.85,1.0,0.6706959769721061,0.5782074566513604,0.46393324652182855,0.3754283462408334,0.522066256596532
EOS-3-22939,Cn1nnnc1-c1ccc(-c2nnc3cncc(Cc4nnc(C(F)(F)F)o4)n23)c(F)c1,FXFVXSHCCRGROT-UHFFFAOYSA-N,3,1,0.352,66,476,446.328,2.114,5,0.382,0.67,1.0,0.31417483380165856,0.512841820300185,0.39923583030635323,0.3431224727571791,0.392343739291344
EOS-3-22941,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c(F)c2)cn1,SVTWGIVZGYBWPX-UHFFFAOYSA-N,3,1,0.456,16,606,445.433,4.117,5,0.402,0.71,1.0,0.8221163731067096,0.8008875334110068,0.7844818723870879,0.6887721883352752,0.7740644918100198
EOS-3-22942,Cc1nnc(-c2csc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)n1C,YXDPYHOYHYSZOE-UHFFFAOYSA-N,3,1,0.556,36,404,421.461,3.675,5,0.431,0.74,1.0,0.6229696388184497,0.7039699129600439,0.2409019258446988,0.27499828661503667,0.4607099410595572
EOS-3-22943,Cc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1nccn1C,PPNLPDCSCCFXHP-UHFFFAOYSA-N,3,1,0.411,46,122,434.41,3.147,5,0.392,0.66,0.997,0.4990919059694332,0.44586560208347614,0.38816736344321845,0.34313103968199576,0.4190639777945309
EOS-3-22944,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cn5)cn4)n23)cc1,XWHOYHUZZSEUCG-UHFFFAOYSA-N,3,1,0.355,98,167,450.441,3.245,6,0.402,0.61,1.0,0.22026420396134602,0.3193235556164759,0.3393101912137619,0.36593619354396545,0.3112085360838873
EOS-3-22945,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cccnn6)n5)n34)cc2)n1,IFHLHACSBAGHRZ-UHFFFAOYSA-N,3,1,0.404,71,428,463.465,2.413,6,0.362,0.66,1.0,0.4573881159618943,0.30398019326982384,0.09385066136659585,0.07197930230964293,0.23179956822698922
EOS-3-22946,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncon5)cc4)n23)nc1,YHZMKLWIHGTUEQ-UHFFFAOYSA-N,3,1,0.288,64,495,419.408,3.36,6,0.423,0.73,1.0,0.14832773627578644,0.10039579192653006,0.16546158590912205,0.21347063258172846,0.15691393667329176
EOS-3-22947,Fc1ccnc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)nn5)n34)cn2)c1,HYEWBRCTVIXDPL-UHFFFAOYSA-N,3,1,0.402,85,362,453.363,3.182,5,0.382,0.64,1.0,0.33656877527242823,0.472123226646563,0.6934497292851758,0.610247755465698,0.5280973716674662
EOS-3-22948,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Cl)cc4F)n23)cc1,FWLPRVLXLNKZDZ-UHFFFAOYSA-N,3,1,0.398,0,999,407.836,4.143,5,0.551,0.92,1.0,0.39611746967308614,0.5172966212048523,0.646845658282503,0.7900932081420053,0.5875882393256118
EOS-3-22949,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)nc1,CJLNEUPFJQRSHZ-UHFFFAOYSA-N,3,1,0.298,70,687,421.424,3.304,6,0.426,0.67,0.999,0.167474813241039,0.08146288808169419,0.1983757110547598,0.1793657048865739,0.15666977931601672
EOS-3-22950,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5Cl)n4C)n23)cc1,CFNAYXQJPZRAQB-UHFFFAOYSA-N,3,1,0.321,8,882,469.9,3.098,6,0.361,0.72,1.0,0.06683914741964224,0.20251353574121034,0.07963813309574395,0.14491810019875265,0.1234772291138373
EOS-3-22951,Cn1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccoc6)cn5)n34)nc2)n1,VTCXXYNDPRROLO-UHFFFAOYSA-N,3,1,0.277,86,780,421.424,3.304,6,0.426,0.67,1.0,0.04960249468850662,0.017784935919402372,0.23381707902131452,0.23080152148584743,0.13300150777876774
EOS-3-22952,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nn2)nn1C,LNZNZHHLKPHFSL-UHFFFAOYSA-N,3,1,0.307,98,890,450.47,2.148,6,0.396,0.61,1.0,0.11272359673771502,0.05187272976492358,0.02110890274826948,0.017981975190185732,0.05092180111027346
EOS-3-22953,Cc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)nc5)o4)n23)c(F)c1,VGIJEIUUUAIVJU-UHFFFAOYSA-N,3,1,0.467,4,534,437.822,3.916,5,0.381,0.73,1.0,0.7611284353368515,0.8421115756288123,0.5092180111027346,0.5574497978205744,0.6674769549722432
EOS-3-22954,Cc1nc(COc2cncc3nnc(-c4cncc(-c5cnc(F)cn5)c4)n23)ccc1F,ZDXVNBOSPZCGAA-UHFFFAOYSA-N,3,1,0.457,2,422,432.394,3.204,5,0.417,0.66,0.997,0.6229782057432663,0.5884277979576451,0.5827222260297443,0.5107686244945514,0.5762242135563017
EOS-3-22955,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)c1,XCRDUTJFGIULGC-UHFFFAOYSA-N,3,1,0.679,91,309,428.471,4.435,5,0.383,0.77,1.0,0.8036889178260571,0.717942567336029,0.6662154752929889,0.6221129463367829,0.7024899766979644
EOS-3-22956,Cn1ccnc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,VNXDYVMORBDXMQ-UHFFFAOYSA-N,3,1,0.452,18,265,450.865,3.396,5,0.391,0.64,1.0,0.6549756699335206,0.5083955863203344,0.5055770680556507,0.517587896648619,0.5466340552395312
EOS-3-22957,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c2)cn1,SRLABXXFLGLBHA-UHFFFAOYSA-N,3,1,0.536,59,16,448.408,4.553,5,0.393,0.72,1.0,0.8010588719073402,0.8128126927558084,0.9227777397025564,0.9082054005894045,0.8612136762387773
EOS-3-22958,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5cn[nH]c5)c4)n23)nc1,KPZMNLJRCCIQHO-UHFFFAOYSA-N,3,1,0.272,42,106,435.426,3.84,6,0.448,0.62,1.0,0.26624288945240215,0.257581728462751,0.4677540949900624,0.5310465355356041,0.3806563121102049
EOS-3-22959,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nncn6C)c5)n34)nc2)nn1,USQLNBHKCRXSRD-UHFFFAOYSA-N,3,1,0.24,99,286,437.431,1.234,6,0.395,0.61,0.765,0.017219518881502294,0.007316153793434308,0.030583921595504077,0.030258378452470702,0.021344493180727845
EOS-3-22960,CCn1cncc1-c1cnc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cn1,MYWCYTZMCYCFFH-UHFFFAOYSA-N,3,1,0.375,7,828,434.851,2.487,5,0.396,0.64,1.0,0.33885614419847854,0.3284901651703105,0.08935302583784524,0.1022205469124803,0.21472997052977863
EOS-3-22961,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3ccnc(C(F)F)n3)n12,FCQZWROCBGHTLP-UHFFFAOYSA-N,3,1,0.494,27,242,450.384,3.694,5,0.386,0.69,1.0,0.8166678089233089,0.8916027002947022,0.6375933794805017,0.5506990610650401,0.7241407374408881
EOS-3-22962,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cn1,HDHMSMATNYTEFT-UHFFFAOYSA-N,3,1,0.376,80,855,463.465,2.413,6,0.362,0.67,1.0,0.42966554725515727,0.27327633472688645,0.13788465492426838,0.09811698992529641,0.2347358817079021
EOS-3-22964,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)n1,MWVRODBGKMUQDB-UHFFFAOYSA-N,3,1,0.383,46,395,434.822,3.41,5,0.387,0.65,0.999,0.6857394969501748,0.6071465286820643,0.5795524638475773,0.6102563223905147,0.6206737029675828
EOS-3-22965,Fc1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cc4)n23)c(C(F)F)c1,NMWDRMHOEQBAMM-UHFFFAOYSA-N,3,1,0.366,14,319,432.409,4.916,5,0.395,0.8,0.999,0.4596326502638613,0.6646305942019053,0.9566941950517442,0.9495151120553766,0.7576181378932219
EOS-3-22966,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5ccsc5)o4)n23)c1,DIWRWOUHDTXEPT-UHFFFAOYSA-N,3,1,0.345,94,515,442.439,4.166,6,0.4,0.72,0.422,0.2422812007401823,0.3480313206771297,0.302635186073607,0.4133455554794051,0.3265733157425811
EOS-3-22967,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6F)nn5)n34)cn2)n1,ZHVZAPIBDCYYMV-UHFFFAOYSA-N,3,1,0.29,86,312,441.39,2.327,6,0.375,0.68,1.0,0.09055239531217874,0.15604653553560413,0.08936159276266191,0.10640977314783086,0.1105925741895689
EOS-3-22968,CC(NCCCCN)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)cc1,ZKBHZGPFVMWPLR-UHFFFAOYSA-N,3,1,0.301,0,825,430.516,2.342,4,0.347,0.75,0.996,0.07899561373449386,0.0017390857377835652,0.12880371461860052,0.08820505791241176,0.07443586800082243
EOS-3-22969,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)c1,XQRWVUHBSFJSKP-UHFFFAOYSA-N,3,1,0.329,3,158,441.842,3.742,6,0.406,0.64,1.0,0.061519087108491535,0.21691453635802893,0.30264375299842367,0.45128846549242685,0.25809146048934273
EOS-3-22970,Cn1c(-c2cccc(Cl)c2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1=O,SJFLGFWUSLFZHI-UHFFFAOYSA-N,3,1,0.602,11,201,458.909,3.827,5,0.384,0.7,0.999,0.6342779795764513,0.572878829415393,0.6139143992872319,0.6567318895209375,0.6194507744500034
EOS-3-22971,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)c5)no4)n23)cc1,FEOFNIABZPDRPE-UHFFFAOYSA-N,3,1,0.523,97,230,429.827,3.945,5,0.386,0.76,1.0,0.8938986361455692,0.8281474881776437,0.7636813789322184,0.7663628263998356,0.8130225824138168
EOS-3-22972,NC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5cncnn5)s4)n23)nc1,YPHGAEOLRAIZRM-UHFFFAOYSA-N,3,1,0.415,53,760,433.417,0.568,5,0.396,0.64,0.998,0.25044548009046674,0.11026488931533136,0.006219587416900829,0.0026300459187170175,0.09239000068535398
EOS-3-22973,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)c1F,HZNBNVHYNRMZGE-UHFFFAOYSA-N,3,1,0.43,18,88,432.394,2.938,5,0.403,0.62,0.999,0.6857480638749914,0.5266088684805702,0.582730792954561,0.5734271126036597,0.5921287094784456
EOS-3-22974,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)o1,WVHCDNWBBUGOOI-UHFFFAOYSA-N,3,1,0.477,20,655,433.859,3.82,5,0.398,0.69,1.0,0.6797169488040573,0.6501267904872867,0.33207113974367763,0.3335189500376945,0.498858457268179
EOS-3-22975,COCCCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)cn4)n23)c(F)c1,QMRFTKRAABVIFC-UHFFFAOYSA-N,3,1,0.319,62,124,471.496,3.549,5,0.348,0.81,1.0,0.13733637173600163,0.14076314166266876,0.3320797066684943,0.3086491672949078,0.22970709684051815
EOS-3-22976,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)n5)nn4)n23)nc1,VPUDGLSHKNTLIE-UHFFFAOYSA-N,3,1,0.279,99,286,456.861,2.278,6,0.366,0.66,0.955,0.015411897745185388,0.1037111918305805,0.07321293948324309,0.1290178877390172,0.08033847919950654
EOS-3-22977,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)c2)nn1,BHXNNCVLBMXKON-UHFFFAOYSA-N,3,1,0.391,46,980,432.394,3.204,5,0.417,0.61,1.0,0.5746007813035433,0.4636248372284285,0.579561030772394,0.5344647385374546,0.5380628469604551
EOS-3-22978,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)s5)n34)nc2)nc1,BYWRYAQEPDOKLY-UHFFFAOYSA-N,3,1,0.276,32,557,434.488,4.434,6,0.405,0.75,1.0,0.09516996778836269,0.12662771571516687,0.33208827359331095,0.3592539921869646,0.22828498732095126
EOS-3-22979,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ncccn6)s5)n34)cc2)cc1,HPEPVDAYDNVHNG-UHFFFAOYSA-N,3,1,0.373,93,651,434.488,4.434,6,0.405,0.75,1.0,0.08784524707011171,0.18440305667877457,0.1719467479953396,0.28676924131313825,0.18274107326434103
EOS-3-22980,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccnnc4-c4ccc(F)c(F)c4)n23)cc1,OOYPQHRWNWTRRL-UHFFFAOYSA-N,3,1,0.325,3,642,467.443,3.989,6,0.387,0.71,1.0,0.2608799945171681,0.38616270303611816,0.6852683160852581,0.7165632924405455,0.5122185765197724
EOS-3-22981,OCc1ccnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccn2)c1,UUQSRTAVXLUGJX-UHFFFAOYSA-N,3,1,0.473,24,199,447.405,2.993,5,0.423,0.66,1.0,0.7980604482215065,0.5884363648824618,0.8073212939483243,0.7405421150023987,0.7335900555136728
EOS-3-22982,N#Cc1ccc(-c2cncc3nnc(-c4cccnc4-c4ncc(F)cn4)n23)c(F)c1,UIOIPQHZNPAUCM-UHFFFAOYSA-N,3,1,0.37,96,856,412.363,3.46,5,0.447,0.84,1.0,0.3757967240079501,0.46363340415324517,0.7324977725995476,0.790101775066822,0.5905074189568913
EOS-3-22983,Cc1nnc(-c2ncncc2-c2cncc3nnc(-c4ccc(-c5cnn(C)n5)cn4)n23)o1,IWHGEOSUPBLCMN-UHFFFAOYSA-N,3,1,0.237,99,813,438.415,1.797,6,0.396,0.62,0.695,0.06318107052292508,0.026223356863820164,0.025083955863203344,0.01982386402576931,0.03357806181892948
EOS-3-22984,CCn1c(-c2cn(C)nc2C)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,ASDVWCRBKMMTQU-UHFFFAOYSA-N,3,1,0.303,8,882,466.513,2.574,6,0.38,0.69,1.0,0.028793434308820507,0.017793502844219038,0.010194640531834692,0.008155712425467754,0.0162343225275855
EOS-3-22985,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncc(CO)n6)on5)n34)cc2)n1,KVWYHSKIKVAAMA-UHFFFAOYSA-N,3,1,0.278,38,725,451.45,2.796,6,0.42,0.63,1.0,0.07292166403947639,0.10040435885134671,0.2657545747378521,0.2308100884106641,0.16747267150983483
EOS-3-22987,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)ccn2)cn1,MUWUMUBPADEXHX-UHFFFAOYSA-N,3,1,0.483,7,441,431.847,2.974,5,0.387,0.65,1.0,0.4815896785689809,0.5682098553903091,0.32463504900280993,0.290050373517922,0.4161212391200055
EOS-3-22988,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1F,VAYFVHLPYYXNSO-UHFFFAOYSA-N,3,1,0.506,73,353,437.385,3.583,5,0.418,0.62,1.0,0.9099616201768214,0.7965526694537729,0.8620639435268316,0.8303234870810774,0.8497254300596258
EOS-3-22989,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(C)nn5)n34)ccn2)ncn1,DESKBJTZKHXKGH-UHFFFAOYSA-N,3,1,0.482,75,241,425.456,2.672,5,0.405,0.66,1.0,0.5092265780275512,0.2989685422520732,0.10385682955246385,0.06831265848810911,0.24509115208004936
EOS-3-22990,Cn1ncc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1-c1cncc(F)c1,TXHCLMJSIUGEHU-UHFFFAOYSA-N,3,1,0.378,50,243,422.374,3.726,5,0.439,0.71,0.909,0.16482763347268864,0.3768161880611336,0.807329860873141,0.7759235144952368,0.53122429922555
EOS-3-22991,Cc1nnc(-c2ccccn2)cc1Cc1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12,CCEJJQPNERQYSO-UHFFFAOYSA-N,3,1,0.427,85,476,448.412,3.956,5,0.411,0.65,0.999,0.3342043040230279,0.4636419710780618,0.7946765129189226,0.6595932424097046,0.5630290076074292
EOS-3-22992,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)nc1,FRPPMDPURPRUQF-UHFFFAOYSA-N,3,1,0.288,10,871,472.394,3.308,6,0.384,0.68,0.656,0.06892091015009252,0.2629874580220684,0.4537386059899938,0.557458364745391,0.33577633472688645
EOS-3-22993,Cc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)o2)c1,XOLALXGAVQABHI-UHFFFAOYSA-N,3,1,0.276,70,596,433.435,3.669,6,0.41,0.65,0.996,0.12350078815708314,0.07449797820574326,0.21248543622781166,0.22465903639229662,0.15878580974573367
EOS-3-22994,c1cnc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)nn5)n34)nc2)cn1,NBLYUTYMXVSRTJ-UHFFFAOYSA-N,3,1,0.253,86,421,432.411,1.952,6,0.402,0.6,0.945,0.06892947707490919,0.06725892673565896,0.09159756013981221,0.11578198889726543,0.08589198821191145
EOS-3-22995,CC(C)(O)c1ccc(-c2nnc3cncc(Cc4cc(Cl)c(-c5ccccc5)nn4)n23)cn1,WQMSCRPGGOJOSI-UHFFFAOYSA-N,3,1,0.353,14,81,457.925,4.115,5,0.423,0.69,0.732,0.3141834007264752,0.3861712699609348,0.5795695976972106,0.5042577616338839,0.4460455075046261
EOS-3-22996,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,YBUFQDYYDOOYKD-UHFFFAOYSA-N,3,1,0.479,15,771,460.885,3.322,5,0.36,0.7,1.0,0.7222003289699129,0.6168614214241656,0.2694040847097526,0.23662703036118155,0.4612732163662531
EOS-3-22997,Fc1cnn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nn5)n34)n2)c1,VMMVMAOZILHIBA-UHFFFAOYSA-N,3,1,0.262,76,887,441.455,3.697,6,0.411,0.62,0.057,0.018958604619285863,0.11609039819066548,0.2585926255911178,0.33034918785552736,0.1809977040641491
EOS-3-22998,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(CO)nc5)n34)ccc2F)cn1,FSPPWMJJVZPDDV-UHFFFAOYSA-N,3,1,0.473,92,860,432.419,2.192,5,0.434,0.64,1.0,0.45050887533411005,0.47674936604756357,0.40645774792680417,0.3208399013090261,0.413638972654376
EOS-3-22999,Fc1cccnc1-c1ccnc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,WWFZLDWOBFSQGD-UHFFFAOYSA-N,3,1,0.438,11,692,447.861,4.057,5,0.362,0.73,1.0,0.7005088753341101,0.664639161126722,0.5535518470289905,0.6221215132615996,0.6352053491878555
EOS-3-23000,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)ccc4Cl)n23)ccn1,OQTQHPWRLWBMGE-UHFFFAOYSA-N,3,1,0.59,35,325,447.861,4.057,5,0.362,0.73,1.0,0.9407168802686587,0.9543982592008773,0.6908539510657254,0.7113460352271949,0.8243287814406141
EOS-3-23001,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccnc5Cl)n34)c2)cn1,YTTSTWAILJLAOR-UHFFFAOYSA-N,3,1,0.471,2,419,433.834,4.015,5,0.386,0.73,1.0,0.7953275992049894,0.7928089233088891,0.809497292851758,0.8183640600370091,0.8039994688506613
EOS-3-23002,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)n1,LNMWEGSSESZEQL-UHFFFAOYSA-N,3,1,0.483,54,670,416.832,3.271,5,0.402,0.77,1.0,0.47161777808237954,0.5266174354053869,0.342891165787129,0.4067318895209376,0.4369645671989582
EOS-3-23003,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccccc6)n5)n34)cc2)ccn1,KDVMROZFKPKDQE-UHFFFAOYSA-N,3,1,0.392,93,757,446.449,4.511,6,0.368,0.76,1.0,0.31148481940922484,0.4193081351518059,0.5953327393598794,0.6396665752861352,0.4914480673017614
EOS-3-23004,Cc1ccc(-c2cccc(-c3nnc4cncc(COCc5cc(F)cc(F)c5)n34)c2)nn1,DHSZMNRICAMNSL-UHFFFAOYSA-N,3,1,0.5,14,18,444.445,4.552,5,0.382,0.76,1.0,0.42032759920498936,0.4994517168117333,0.8463950380371462,0.8263484339661435,0.6481306970050031
EOS-3-23005,COc1cc(-c2nnc3cncc(OCc4ccc(-c5nc[nH]n5)c(F)c4)n23)ccc1Cl,CCALEVUPTDFEQI-UHFFFAOYSA-N,3,1,0.571,47,67,451.849,3.957,5,0.416,0.68,1.0,0.9379583304776917,0.8833099170721678,0.8244808443561099,0.7785535604139538,0.8560756630799808
EOS-3-23006,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)nc1,UTMMVYUKLCDWBM-UHFFFAOYSA-N,3,1,0.276,76,114,430.435,3.162,6,0.415,0.64,0.863,0.03763450071962168,0.059557261325474606,0.1466657528613529,0.18749571653759167,0.10783830786101022
EOS-3-23007,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)ccn1,WWULWDWAYMTWEC-UHFFFAOYSA-N,3,1,0.566,75,559,449.396,3.682,5,0.391,0.67,1.0,0.9020200808717703,0.842120142553629,0.7566222328832842,0.7638184497292851,0.8161452265094922
EOS-3-23008,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5cnn(C)c5)cn4)n23)ccc1C(=O)NC1CC1,SXNUULJGSSMLOY-UHFFFAOYSA-N,3,1,0.417,92,943,481.52,2.761,6,0.376,0.82,1.0,0.2202727708861627,0.09424473990816257,0.08937015968747858,0.06832122541292578,0.11805222397368241
EOS-3-23009,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccnnc5)c4)n23)ccn1,RMDAIPTVABWQKH-UHFFFAOYSA-N,3,1,0.59,35,202,431.406,3.543,5,0.38,0.7,1.0,0.9415907065999589,0.9457799328353095,0.8244894112809266,0.8033976423822905,0.8788144232746213
EOS-3-23010,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cccnn5)ncc4Cl)n23)n1,UXXOFUNIHAVMRB-UHFFFAOYSA-N,3,1,0.484,4,670,434.822,3.41,5,0.387,0.68,0.995,0.6063926392981975,0.689217668425742,0.5264203961346036,0.5734356795284764,0.598866595846755
EOS-3-23011,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1,GAEYREDBHBRXFE-UHFFFAOYSA-N,3,1,0.477,97,91,429.871,4.184,5,0.387,0.77,1.0,0.7578387362072511,0.6646477280515386,0.6344664519224179,0.6368566239462683,0.673452385031869
EOS-3-23012,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cncc(F)n5)n4)n23)nc1,WNQISKRFLUDWQC-UHFFFAOYSA-N,3,1,0.292,99,852,441.394,1.159,6,0.391,0.61,0.242,0.009980467411417997,0.10715509560688095,0.027285655541086973,0.03332533753683778,0.044436639024055924
EOS-3-23013,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,JRJDAMQBXNPJCV-UHFFFAOYSA-N,3,1,0.306,3,973,425.391,2.358,6,0.456,0.59,1.0,0.10519326982386402,0.24782400109656638,0.14667431978616954,0.2337142759235145,0.1833514666575286
EOS-3-23014,Cc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nn1,CMTQEFRCRRELLZ-UHFFFAOYSA-N,3,1,0.283,10,37,431.463,3.804,6,0.418,0.65,1.0,0.009329381125351244,0.03144918100198753,0.2845418408608046,0.3055650743609074,0.1577213693372627
EOS-3-23015,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)nn1,NBQPIUABSLOLMC-UHFFFAOYSA-N,3,1,0.419,85,290,431.41,3.27,5,0.417,0.64,1.0,0.27654890000685356,0.3239753957919265,0.42792646151737374,0.3659447604687821,0.348598879446234
EOS-3-23016,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cncnn6)ncn5)n34)cn2)nc1,JCSQUBYBEYYBCZ-UHFFFAOYSA-N,3,1,0.463,6,297,461.449,2.469,6,0.361,0.67,1.0,0.40031526283325336,0.36225241587279833,0.16547015283393873,0.14735967377150297,0.26884937632787337
EOS-3-23017,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4Cl)n23)cc1,GYQGTEHMMPMQQD-UHFFFAOYSA-N,3,1,0.333,9,642,467.924,4.308,6,0.383,0.76,1.0,0.2064885888561442,0.31933212254129256,0.5631211020492084,0.6008841066410802,0.42245648002193137
EOS-3-23018,CC1(n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)nn2)CC1,KNFDZONLTHCHNI-UHFFFAOYSA-N,3,1,0.322,63,792,418.436,2.59,6,0.534,0.7,1.0,0.09995887876088,0.18441162360359126,0.008892467959701186,0.0719878692344596,0.091312709889658
EOS-3-23019,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4OC)n23)ccc1-c1ccon1,FUDOEDYWBKFGPL-UHFFFAOYSA-N,3,1,0.473,97,383,448.414,3.577,5,0.369,0.71,1.0,0.7283599479130971,0.5976800767596464,0.5666935096977589,0.35926255911178123,0.5629990233705708
EOS-3-23020,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)cn1,PEXVIADGVNFCRS-UHFFFAOYSA-N,3,1,0.296,86,114,447.466,2.984,6,0.392,0.66,0.956,0.06318963744774175,0.02385031868960318,0.02839078884243712,0.03878246864505517,0.038553303406209306
EOS-3-23021,Cc1cnc(-c2nnc3cncc(OCc4cncc(-c5cccc(Cl)n5)n4)n23)cn1,NMUXBRHYHPSRMG-UHFFFAOYSA-N,3,1,0.394,7,828,431.847,2.974,5,0.387,0.67,1.0,0.44342402851072577,0.4767579329723802,0.17195531492015625,0.19840141182920978,0.322634672058118
EOS-3-23022,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5cccc(-c6ncc(F)nn6)n5)n34)cn2)c1,FSTAOIRDKTUYDO-UHFFFAOYSA-N,3,1,0.436,10,387,466.415,3.441,6,0.385,0.65,1.0,0.24484271126036597,0.4146819957508053,0.33566068124186144,0.4228719758755397,0.3545143410321431
EOS-3-23023,COc1cc(F)ccc1Oc1cncc2nnc(-c3ccc(C#N)c(-c4ccccn4)c3)n12,ZESGUSGGNIAXDT-UHFFFAOYSA-N,3,1,0.484,1,209,438.422,4.665,5,0.393,0.76,1.0,0.9389178260571586,0.8725669933520663,0.8940014392433692,0.8343242409704612,0.8849526249057638
EOS-3-23024,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)nc5)n34)cn2)ccn1,QCCOUWSVKSSISQ-UHFFFAOYSA-N,3,1,0.295,32,887,447.437,3.906,6,0.375,0.68,0.989,0.287703036118155,0.36720409841683227,0.5859262559111781,0.5858748543622782,0.45667706120211093
EOS-3-23025,Clc1cncc(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1,BDCKFTZYDIGAKU-UHFFFAOYSA-N,3,1,0.495,2,76,435.9,3.98,5,0.398,0.74,1.0,0.6402576930984853,0.7133249948598451,0.4064663148516209,0.4512970324172435,0.5528365088067987
EOS-3-23026,FC(F)(F)c1ncc(COc2cncc3nnc(-c4nccnc4-c4cccnc4)n23)cn1,GMPXVMRKQMCOJZ-UHFFFAOYSA-N,3,1,0.391,7,48,451.372,3.031,5,0.397,0.62,1.0,0.7342711260365979,0.5635580152148585,0.5767168117332603,0.4100815571242547,0.5711568775272429
EOS-3-23027,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6(C)CC6)cc5F)n34)c2)n1,ITIQIUNQMRXBES-UHFFFAOYSA-N,3,1,0.36,61,269,469.484,3.07,6,0.421,0.73,1.0,0.21464430128161197,0.2732849016517031,0.08937872661229525,0.16062127338770474,0.18448230073332877
EOS-3-23028,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1Cl,NVHXDORBTFHGAF-UHFFFAOYSA-N,3,1,0.558,37,161,450.865,3.396,5,0.391,0.63,1.0,0.6887893221849085,0.7673394558289356,0.5431858680008225,0.5798266054417106,0.6447853128640944
EOS-3-23031,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nn1,XBXHYMCNVIVADK-UHFFFAOYSA-N,3,1,0.302,3,39,424.403,2.963,6,0.463,0.61,1.0,0.03233157425810431,0.19324412308957575,0.38084264272496743,0.45130559934206016,0.2644309848536769
EOS-3-23032,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cncnn5)nn4)n23)c(F)c1,DHDIRGKUBJETDG-UHFFFAOYSA-N,3,1,0.333,50,413,417.368,0.723,5,0.448,0.65,1.0,0.012250702487834967,0.12663628263998356,0.09610376259337948,0.08821362483722843,0.08080109313960661
EOS-3-23033,Cn1ncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)cc6)cn5)n34)nn2)n1,XCZGPJCCNOLUSD-UHFFFAOYSA-N,3,1,0.292,10,872,455.873,2.883,6,0.398,0.63,0.985,0.006913508327050922,0.11952573504214926,0.19136796655472552,0.3148773216366253,0.15817113289013773
EOS-3-23034,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)cc1-c1cccnc1,UIDHPJDCDYKNHJ-UHFFFAOYSA-N,3,1,0.463,87,657,444.43,2.808,5,0.374,0.66,1.0,0.6064012062230142,0.6354944829004181,0.28083236241518744,0.21898773216366252,0.4354289459255706
EOS-3-23035,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ocnc4-c4ccccc4)n23)cc1,QURGWAGJFZLJTD-UHFFFAOYSA-N,3,1,0.329,64,885,435.422,4.709,6,0.396,0.77,1.0,0.29861729833458983,0.33312487149612774,0.477794530875197,0.597945651428963,0.42687058803371936
EOS-3-23036,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2)s1,WTDUYHNXIDDBGM-UHFFFAOYSA-N,3,1,0.568,4,22,435.9,4.246,5,0.407,0.71,1.0,0.5861661298060448,0.6938523747515591,0.35068706737029676,0.3788294153930505,0.5023837468302377
EOS-3-23037,Cc1ncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)cn5)n34)cn2)o1,PKBCBBKUKLMLOJ-UHFFFAOYSA-N,3,1,0.31,86,780,437.427,2.402,6,0.404,0.62,1.0,0.047906243574806384,0.059565828250291275,0.06666780892330888,0.05292646151737372,0.056766585566445066
EOS-3-23038,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ncccn5)n34)n2)n1,KIKHAGHOQFJQDE-UHFFFAOYSA-N,3,1,0.262,76,557,434.427,1.896,6,0.404,0.6,1.0,0.03234014118292098,0.02623192378863683,0.01766499897196902,0.01912994311561922,0.023841751764786513
EOS-3-23039,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cnn1,GYYUYOJHPACZAV-UHFFFAOYSA-N,3,1,0.276,99,719,434.427,1.896,6,0.404,0.6,0.961,0.07670824480844356,0.0314577479268042,0.07532040298814338,0.08638886985127818,0.06746881639366734
EOS-3-23040,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nn2)cc1,ZFDOFAHWQKFYMW-UHFFFAOYSA-N,3,1,0.286,10,37,418.424,2.891,6,0.429,0.71,0.957,0.001345007196216846,0.005063052566650675,0.20173394558289356,0.24825234733739976,0.11409858817079022
EOS-3-23041,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5cc(F)cc(F)c5)cs4)n23)cc1,KKZUNBAFYDLKFX-UHFFFAOYSA-N,3,1,0.563,1,92,478.484,4.132,5,0.394,0.81,1.0,0.597662942910013,0.4678568980878624,0.6170841614693989,0.537471729148105,0.5550189329038449
EOS-3-23042,CC(C)(C)c1cnc(Cc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,OWWODBGGJCCOFH-UHFFFAOYSA-N,3,1,0.341,85,290,422.496,3.927,5,0.433,0.72,1.0,0.19002295935850866,0.14814783085463643,0.3320968405181276,0.16062984031252142,0.20772436776094855
EOS-3-23043,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nn4)n23)c(F)c1,WVIKJGQRUHTHJT-UHFFFAOYSA-N,3,1,0.333,98,42,452.457,3.188,6,0.405,0.63,0.998,0.22028133781097936,0.30897471043794117,0.2657631416626688,0.2750068535398533,0.2675065108628607
EOS-3-23044,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1F,GLWGFJBSPAXERU-UHFFFAOYSA-N,3,1,0.523,20,353,434.41,2.882,5,0.405,0.63,1.0,0.789536358028922,0.7225001713384963,0.43936330614762525,0.41961654444520596,0.5927540949900624
EOS-3-23045,COc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,OELFKFIZTOOCNF-UHFFFAOYSA-N,3,1,0.478,72,418,445.87,3.884,5,0.388,0.71,1.0,0.5891217188677952,0.5266260023302035,0.4985093550818998,0.4513141662668768,0.5163928106366938
EOS-3-23046,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5ccncc5)ncn4)n23)cc1,SCSZKJLYGSQJRH-UHFFFAOYSA-N,3,1,0.478,56,415,462.477,3.018,6,0.367,0.68,1.0,0.3981906654787198,0.20716537591666095,0.26577170858748544,0.21631485162086217,0.2718606504009321
EOS-3-23047,Cc1cn(-c2nc(-c3cncc4nnc(-c5cnc(-c6ncon6)nc5)n34)ncc2F)cn1,KRKLJXCIASBJTD-UHFFFAOYSA-N,3,1,0.257,86,249,442.378,1.722,6,0.392,0.61,0.999,0.08321054074429443,0.1132633130011651,0.02404735796038654,0.025555136728120074,0.061519087108491535
EOS-3-23048,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cnn2)nn1,XJJAUEGFMUDXEG-UHFFFAOYSA-N,3,1,0.512,53,226,431.847,2.974,5,0.413,0.61,1.0,0.42505654170379,0.5540315948187239,0.2586011925159345,0.29005894044273867,0.3819370673702968
EOS-3-23049,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)nn1,WZLDGNXKYYCADU-UHFFFAOYSA-N,3,1,0.524,4,183,416.832,3.271,5,0.43,0.72,1.0,0.5041635254609006,0.5728873963402097,0.402799671030087,0.4355938592282914,0.4788611130148722
EOS-3-23050,Cn1ncc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)n1,QDWVWXFLWODPII-UHFFFAOYSA-N,3,1,0.293,94,165,433.439,2.501,6,0.412,0.6,0.982,0.05629326297032417,0.048291755191556436,0.14668288671098623,0.14979268041943664,0.10026514632307587
EOS-3-23051,Cc1ccc(-c2nnc3cncc(OCCc4cccc(-c5cnc(Cl)nc5)n4)n23)cn1,ASWHYUOARLJROK-UHFFFAOYSA-N,3,1,0.511,87,579,444.886,3.622,5,0.366,0.71,1.0,0.7313840723733809,0.8754197793160168,0.3393187581385786,0.3086577342197245,0.5636950860119252
EOS-3-23052,COc1nc(-c2ccnnc2)ccc1-c1nnc2cncc(OCc3cc(C)ncn3)n12,HLCBKNPKDPBAAH-UHFFFAOYSA-N,3,1,0.43,92,710,427.428,2.329,5,0.398,0.66,1.0,0.27398738948666984,0.1266448495648002,0.14669145363580288,0.07000034267699266,0.15433100884106637
EOS-3-23053,CCn1c(-c2nnco2)cnc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,FZNXFOCJORACBU-UHFFFAOYSA-N,3,1,0.312,38,725,435.451,3.787,6,0.402,0.66,1.0,0.09757727366184635,0.08809368788979507,0.14670002056061957,0.20134843396614352,0.13342985401960114
EOS-3-23054,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)nc(Cl)c5)n34)ccn2)nn1,DBOZOIOCJXMSDQ-UHFFFAOYSA-N,3,1,0.471,24,241,448.849,3.718,5,0.375,0.68,1.0,0.7222088958947296,0.669565142896306,0.5767253786580769,0.5540572955931738,0.6306391782605716
EOS-3-23055,Cc1cc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)n(C)n1,CYSWLKCBCYLQMP-UHFFFAOYSA-N,3,1,0.6,19,785,430.447,3.051,5,0.408,0.64,1.0,0.42267493660475636,0.3908316770612021,0.3506956342951134,0.33035775478034407,0.37364000068535397
EOS-3-23056,Fc1ccc(Cl)c(-c2noc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)n2)c1,YBECAPXCMAFXOA-UHFFFAOYSA-N,3,1,0.293,22,315,443.776,4.633,5,0.399,0.76,0.874,0.3342128709478446,0.4767664998971969,0.8704852306216161,0.9094047700637379,0.6477173428825989
EOS-3-23057,COc1c(-c2ccc(F)c(-c3cncc4nnc(-c5cnc(C(C)N)c(F)c5)n34)c2)cnn1C,WZALBRWRRLWERP-UHFFFAOYSA-N,3,1,0.318,82,336,462.464,3.56,5,0.425,0.68,0.815,0.3412634500719622,0.4099102186279213,0.6438386676718525,0.507453224590501,0.4756163902405593
EOS-3-23058,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)c1,LCHSHGZOBBDBRP-UHFFFAOYSA-N,3,1,0.438,7,184,453.388,2.975,5,0.4,0.61,1.0,0.44796449866355975,0.49471420738811595,0.7450397505311493,0.5344733054622712,0.5555479405112741
EOS-3-23059,Fc1ccc(-c2nnc3cncc(Nc4cccnc4OCc4cccc(F)c4)n23)nc1,SFCKLTHZUDULEF-UHFFFAOYSA-N,3,1,0.34,44,692,431.406,4.182,5,0.431,0.67,1.0,0.2959615516414228,0.27830511959427046,0.6934582962099924,0.6337382633130012,0.47536580768967174
EOS-3-23060,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)n2)nn1C,VNEQFDYCWKIMQT-UHFFFAOYSA-N,3,1,0.275,99,259,450.47,2.148,6,0.396,0.6,0.394,0.052712288396957026,0.03460180933452128,0.014692276060585293,0.010665821396751422,0.028168048797203755
EOS-3-23061,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)[nH]4)n23)cc1,JVUAPTAKSBWTCR-UHFFFAOYSA-N,3,1,0.309,98,42,454.885,3.692,6,0.404,0.69,1.0,0.17549345486944007,0.23729525049688163,0.3545678843122473,0.4196251113700226,0.2967454252621479
EOS-3-23062,Clc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nc1,LLFGGEJOSYFDBG-UHFFFAOYSA-N,3,1,0.43,46,162,450.289,4.529,5,0.389,0.71,1.0,0.7313926392981975,0.7673480227537524,0.737466588993215,0.8034062093071072,0.759903365088068
EOS-3-23063,Cc1nc(-c2nc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncc2F)ncc1F,FDKHUVASGXZMDU-UHFFFAOYSA-N,3,1,0.378,50,243,453.363,3.625,5,0.38,0.65,0.934,0.37580529093276677,0.5448135837159893,0.5264289630594202,0.5208604619285861,0.49197707490919057
EOS-3-23064,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)cc1,ISLYSNYCUJECMX-UHFFFAOYSA-N,3,1,0.602,19,660,430.418,4.148,5,0.403,0.71,1.0,0.8320797066684943,0.8316941950517442,0.8281903228017271,0.859733739976698,0.8379244911246659
EOS-3-23065,Cc1csc(COc2cncc3nnc(-c4cc(-c5cc(F)cc(CO)c5)ncn4)n23)n1,AHJHGHDRMDLAIZ-UHFFFAOYSA-N,3,1,0.423,44,238,449.471,3.224,5,0.421,0.71,1.0,0.4156157905558221,0.4458741690082928,0.3881759303680351,0.3431396066068124,0.3982013741347406
EOS-3-23066,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nc2)cn1C,SIVVWITYPROAJY-UHFFFAOYSA-N,3,1,0.394,53,587,433.863,2.918,5,0.416,0.65,0.999,0.4250651086286067,0.4636505380028785,0.17530498252347337,0.15246556096223698,0.3041215475292989
EOS-3-23067,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cncc(-c4cncnc4)c3)n12,IRNOICOILBVWQQ-UHFFFAOYSA-N,3,1,0.452,2,995,419.807,4.228,5,0.43,0.75,1.0,0.6887978891097252,0.7544291001302172,0.8589198821191145,0.8753769446919334,0.7943809540127476
EOS-3-23068,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)ccn2)n1,WKODIXBKXPXPCF-UHFFFAOYSA-N,3,1,0.257,99,286,437.431,1.234,6,0.395,0.6,1.0,0.03630662737303817,0.019378383935302584,0.01767356589678569,0.0162343225275855,0.022398224933177988
EOS-3-23069,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4cccnc4-c4cscn4)n23)cn1,OCYYGIYUADKCMT-UHFFFAOYSA-N,3,1,0.37,85,81,439.426,4.314,5,0.415,0.7,0.999,0.36886608183126585,0.44588273593310945,0.8604876293605648,0.7534696045507505,0.6071765129189226
EOS-3-23070,Cc1ccc(-c2ccnc(COc3ccc(-c4nnc5cncc(F)n45)cn3)c2)nn1,TXUCIDFJYPAMGD-UHFFFAOYSA-N,3,1,0.481,4,617,414.404,3.065,5,0.432,0.79,0.978,0.3940100061681859,0.489942430265232,0.4205674730998561,0.3177815091494757,0.40557535467068745
EOS-3-23071,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)n2)n1,CUKNOFQHZVBRTN-UHFFFAOYSA-N,3,1,0.31,76,387,451.429,2.64,6,0.398,0.6,1.0,0.08785381399492838,0.17166403947638956,0.12881228154341717,0.17643581659927352,0.14119148790350217
EOS-3-23073,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)cn5)s4)n23)ccn1,PEGGNTHVNJHHBZ-UHFFFAOYSA-N,3,1,0.517,55,99,436.888,3.641,5,0.411,0.69,1.0,0.569246453293126,0.5976886436844631,0.18489137139332465,0.19840997875402647,0.3875591117812351
EOS-3-23074,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nc(-c6nnco6)n(C)n5)n34)cc2)nn1,YYGGCEWTZGEEAC-UHFFFAOYSA-N,3,1,0.303,98,882,426.404,1.432,6,0.406,0.64,0.99,0.0709769721060928,0.048300322116373105,0.01020320745665136,0.00919231032828456,0.03466820300185045
EOS-3-23075,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cncs5)n34)c2)nc1,AXODPAFDXAJBQR-UHFFFAOYSA-N,3,1,0.512,65,491,420.433,2.86,5,0.413,0.73,1.0,0.7005174422589268,0.6213676238777328,0.19137653347954217,0.20135700089096017,0.4286546501267905
EOS-3-23076,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccccn4)n23)cn1,IUOIFJUQAWMYQY-UHFFFAOYSA-N,3,1,0.484,7,85,425.412,1.716,5,0.429,0.63,1.0,0.40678329106983757,0.1803851689397574,0.051264478102940166,0.03333390446165444,0.1679417106435474
EOS-3-23077,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)s4)n23)nc1,LJHKEVLHFDYCIR-UHFFFAOYSA-N,3,1,0.432,46,62,424.877,3.276,5,0.427,0.71,1.0,0.39819923240353644,0.39550065108628607,0.22638955520526352,0.2246676033171133,0.31118926050304985
EOS-3-23078,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)nc1,KYOQKTGTDYHUTG-UHFFFAOYSA-N,3,1,0.346,38,787,443.43,3.837,6,0.398,0.67,1.0,0.2093927763689946,0.25265574669316704,0.5953413062846961,0.5670019189911589,0.40609793708450415
EOS-3-23079,c1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)ccn2)cn1,RSVABWVXLGYZNS-UHFFFAOYSA-N,3,1,0.273,86,790,419.412,2.49,6,0.457,0.65,1.0,0.11273216366253169,0.11027345624014803,0.18489993831814133,0.18750428346240833,0.14885246042080735
EOS-3-23080,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)n1,YGVBDABKNYMNIZ-UHFFFAOYSA-N,3,1,0.291,76,746,438.48,3.167,6,0.412,0.61,1.0,0.028802001233637173,0.06726749366047563,0.06076519772462477,0.09016688369542869,0.06175039407854156
EOS-3-23081,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccns5)nc4)n23)c1,OBSNSTGPUMKLHD-UHFFFAOYSA-N,3,1,0.307,25,213,438.48,3.167,6,0.412,0.61,1.0,0.10264889315331369,0.10371975875539716,0.11769241313138236,0.16063840723733808,0.12117486806935782
EOS-3-23082,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)nn1,CKXXZTUDBBVEIC-UHFFFAOYSA-N,3,1,0.527,58,241,448.849,3.452,5,0.389,0.62,0.986,0.8116561579055582,0.805111027345624,0.4710095264203961,0.5144181344664519,0.6505487115345076
EOS-3-23083,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nc1,RWDLPCDKWFIQDK-UHFFFAOYSA-N,3,1,0.638,84,73,428.883,4.523,5,0.395,0.75,1.0,0.8344527448427113,0.8317027619765609,0.6908625179905421,0.7297906243574807,0.7717021622918238
EOS-3-23084,Cc1cccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)c2)n1,BZFDLKKOKBJBNN-UHFFFAOYSA-N,3,1,0.458,4,534,459.897,3.676,5,0.409,0.69,0.966,0.5578952779110411,0.75,0.6468542252073196,0.6134774861215818,0.6420567473099856
EOS-3-23085,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4cc(Cl)c(F)cn4)n23)c1,NYHMYDRSJYEVDY-UHFFFAOYSA-N,3,1,0.472,2,422,436.838,3.353,5,0.417,0.62,1.0,0.5321688026865876,0.517305188129669,0.6825697347680076,0.6654187512850387,0.5993656192173258
EOS-3-23086,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nn2)cc1,CVYQDUBALNNTOP-UHFFFAOYSA-N,3,1,0.306,10,705,417.436,3.496,6,0.433,0.74,1.0,0.010648687547118086,0.017802069769035707,0.32825029127544375,0.384980467411418,0.1854203790007539
EOS-3-23087,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,XTCUQPFNENZUML-UHFFFAOYSA-N,3,1,0.315,30,945,444.502,4.624,6,0.394,0.75,1.0,0.06498012473442533,0.04106127064628881,0.4639418134466452,0.4383352751696251,0.2520796209992461
EOS-3-23088,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)nc(C)n4)n23)cn1,OOQYOLMGMSVOJU-UHFFFAOYSA-N,3,1,0.404,46,500,462.876,4.027,5,0.385,0.71,1.0,0.6003700911520801,0.6119868412034816,0.4949112466588993,0.4881690768281818,0.5488593139606607
EOS-3-23089,Cc1ncc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccn(C)n5)cc4F)n23)cn1,LRUUEKXASURXEZ-UHFFFAOYSA-N,3,1,0.291,94,615,464.468,3.553,6,0.389,0.66,0.998,0.16748338016585568,0.26813617983688576,0.42057604002467275,0.3883558357891851,0.3111378589541498
EOS-3-23090,FC(F)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccncc5)s4)n23)cc1,PVPOIYCHPYFSDK-UHFFFAOYSA-N,3,1,0.506,72,51,437.435,4.221,5,0.393,0.75,1.0,0.5949729285175793,0.607155095606881,0.6139229662120486,0.6008926735658968,0.6042359159756014
EOS-3-23091,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cn5)n34)nc2)nc1,ISHDEIWLTIKXIA-UHFFFAOYSA-N,3,1,0.312,70,687,418.424,3.095,6,0.463,0.71,1.0,0.11274073058734836,0.1266534164896169,0.23013330135014734,0.24826091426221644,0.17944709067233225
EOS-3-23092,Cc1cnsc1COc1cncc2nnc(-c3cccc(-c4cc(=O)n(C)cn4)c3)n12,GTOWGOSLVAMYTN-UHFFFAOYSA-N,3,1,0.483,16,256,431.481,2.896,5,0.422,0.64,1.0,0.282263038859571,0.1844201905284079,0.16236892605030498,0.13342128709478446,0.1906183606332671
EOS-3-23093,Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)nn1,CTVGCQFMUMIXEV-UHFFFAOYSA-N,3,1,0.412,7,617,440.427,1.42,5,0.409,0.6,1.0,0.355064765951614,0.1298660132958673,0.04430813515180591,0.02056061956000274,0.13744988348982248
EOS-3-23095,Fc1cc(-c2ccccn2)c(Cl)cc1-c1nnc2cncc(OCCc3cnccn3)n12,KOFNJBHRBRPBTE-UHFFFAOYSA-N,3,1,0.489,35,846,447.861,4.057,5,0.387,0.69,1.0,0.8116647248303749,0.8669128229730656,0.6468627921321363,0.694580563360976,0.7550052258241382
EOS-3-23096,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnnc5)nc(CO)n4)n23)cc1F,UNUDEVDHDNKWOE-UHFFFAOYSA-N,3,1,0.321,74,768,457.429,1.696,5,0.403,0.63,1.0,0.3239582619422932,0.24783256802138304,0.2622421355630183,0.20458673154684395,0.2596549242683846
EOS-3-23097,COc1nc(Cl)c(COc2cncc3nnc(-c4cnc(Cl)c(F)c4)n23)s1,FWYLWLRTZTZGNW-UHFFFAOYSA-N,3,1,0.476,90,555,427.248,3.676,4,0.449,0.75,0.999,0.679725515728874,0.7133335617846618,0.39183400726475226,0.46999862929202935,0.5637229285175793
EOS-3-23099,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,LOSLAAWQWHXXNN-UHFFFAOYSA-N,3,1,0.5,97,300,433.834,4.015,5,0.386,0.71,1.0,0.862260982797615,0.8051195942704407,0.745048317455966,0.7457593722157494,0.7895470666849428
EOS-3-23100,Cn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,CSSBOJGYBOFRFL-UHFFFAOYSA-N,3,1,0.319,8,474,436.504,4.377,6,0.408,0.72,0.999,0.0832191076691111,0.08147145500651086,0.15924199849222123,0.26332156808991847,0.14681353231444041
EOS-3-23101,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5csnn5)c4)n23)c1F,UTEGXNHALGOHKY-UHFFFAOYSA-N,3,1,0.605,91,742,436.447,4.21,5,0.397,0.72,1.0,0.6119354396545816,0.7627818518264684,0.7925604824892056,0.7968439448975396,0.7410304297169488
EOS-3-23102,Clc1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(-c5ncccn5)nn4)n23)cc1,LGNDJLRCGVCXPB-UHFFFAOYSA-N,3,1,0.6,37,32,465.304,3.967,5,0.371,0.7,1.0,0.9314560345418409,0.9591272016996779,0.2989856761017065,0.4789681995750805,0.6671342779795765
EOS-3-23103,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)nn2)n1,FTBYHEPYJGHCGN-UHFFFAOYSA-N,3,1,0.298,10,37,452.869,3.544,6,0.373,0.7,1.0,0.012259269412651635,0.08810225481461174,0.25509732026591736,0.3659533273935988,0.1803530429716949
EOS-3-23104,Fc1ccc(-c2nnc3cncc(OCCc4nccc(-c5ncc(Cl)cn5)n4)n23)nc1,BBGCOHIKLBQZRB-UHFFFAOYSA-N,3,1,0.424,18,775,449.837,2.847,5,0.385,0.6,0.999,0.7494174491124665,0.7627904187512851,0.14371873072441915,0.23081865533548077,0.4716863134809129
EOS-3-23105,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5)ccn4)n23)cc1,OTOVOCXEJREJOK-UHFFFAOYSA-N,3,1,0.585,1,676,430.418,4.765,5,0.386,0.8,1.0,0.6673634432184223,0.7039784798848605,0.9278664930436571,0.894781029401686,0.7984973613871565
EOS-3-23106,Cn1nc(-c2ccsc2)nc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nn3)n12,YFICPKHHMHKULQ-UHFFFAOYSA-N,3,1,0.253,86,852,439.468,2.562,6,0.407,0.62,0.508,0.026377561510520182,0.04106983757110547,0.020243643341786032,0.02843362346652046,0.029031166472483036
EOS-3-23107,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)cn2)c1,DASIZJRMCOEHQF-UHFFFAOYSA-N,3,1,0.484,87,132,432.394,2.938,5,0.403,0.61,1.0,0.7868720444109383,0.8244551435816599,0.47101809334521283,0.48817764375299844,0.6426307312727023
EOS-3-23109,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1ccc(Cl)nc1,ZUCIUHDRNOLZEC-UHFFFAOYSA-N,3,1,0.438,95,954,450.865,3.396,5,0.366,0.71,1.0,0.4667174970872456,0.48110993077924746,0.4028082379549037,0.44822150640805974,0.4497142930573641
EOS-3-23110,CC(C)(C)c1ncc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cn1,JSAGRIWWPNZWJH-UHFFFAOYSA-N,3,1,0.322,82,478,426.459,4.142,5,0.4,0.77,1.0,0.2849616201768213,0.34803988760194643,0.36195257350421495,0.24251250771023233,0.30936664724830376
EOS-3-23111,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnnn5C)cc4F)n23)c(F)c1,RDFQRFSAHVCVIZ-UHFFFAOYSA-N,3,1,0.366,25,866,472.423,2.118,6,0.379,0.65,1.0,0.25535432801041735,0.37682475498595025,0.19838427797957645,0.29595298471660614,0.28162908642313755
EOS-3-23113,Cn1cnnc1-c1cccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,MORTWYDFLZDECN-UHFFFAOYSA-N,3,1,0.506,16,55,436.838,3.353,5,0.39,0.66,1.0,0.5861746967308615,0.5357497772599548,0.5827393598793777,0.5921886779521623,0.5742131279555891
EOS-3-23114,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)cc1Cl,PVBITLQHGYDAQN-UHFFFAOYSA-N,3,1,0.518,16,610,436.838,3.353,5,0.39,0.66,1.0,0.694631964909876,0.722508738263313,0.6051076005756973,0.6193201288465492,0.6603921081488588
EOS-3-23115,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccco5)n4)n23)cc1,IOWAODFPIQQWJI-UHFFFAOYSA-N,3,1,0.318,10,507,426.375,2.623,6,0.418,0.68,0.706,0.11274929751216503,0.1761702419299568,0.12595949557946678,0.22785449934891372,0.16068338359262557
EOS-3-23116,CC(C)(N)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(F)nc5)n4)n23)cn1,DZYITQMPOZTHBD-UHFFFAOYSA-N,3,1,0.373,50,974,428.435,2.433,5,0.428,0.62,0.754,0.18151600301555754,0.23730381742169832,0.2989942430265232,0.19565142896305943,0.22836637310670962
EOS-3-23117,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnnnc4F)cn3)n12,GSNAFTSEYDIDGD-UHFFFAOYSA-N,3,1,0.442,18,904,433.382,2.333,5,0.398,0.62,1.0,0.72531868960318,0.6841803166335412,0.4916643821533822,0.4789767664998972,0.5950350387225001
EOS-3-23118,Cc1noc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)nc2)n1,TYLJOBRGPFKHFP-UHFFFAOYSA-N,3,1,0.337,85,81,437.385,4.212,5,0.406,0.67,1.0,0.3641885408813652,0.46365910492769513,0.7865979028168049,0.7484322527585497,0.5907194503461037
EOS-3-23119,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(C)n[nH]6)cn5)n34)nn2)cc1,AMJNBJLSOKEGBU-UHFFFAOYSA-N,3,1,0.265,76,193,446.478,3.712,6,0.435,0.66,0.235,0.052720855321773695,0.09425330683297924,0.21933040915632923,0.22190905352614626,0.14705340620930712
EOS-3-23120,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5cccnc5-c5ncc(F)cn5)n34)n2)cc1,VRIQGUHFUBPABF-UHFFFAOYSA-N,3,1,0.306,10,902,454.404,3.169,6,0.399,0.6,1.0,0.04069289287917209,0.202522102666027,0.2990028099513399,0.4035364265643205,0.23643855801521485
EOS-3-23121,Cc1cccc(-c2ccc(F)cc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c1,HFLXIALKWLOZBB-UHFFFAOYSA-N,3,1,0.337,25,228,462.492,4.763,6,0.375,0.8,1.0,0.23122986772668083,0.3768333219107669,0.6314080597628675,0.6860479062435748,0.48137978891097255
EOS-3-23122,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cc1,ZVKFLYOXUPXEFM-UHFFFAOYSA-N,3,1,0.667,23,385,420.687,4.768,4,0.435,0.79,1.0,0.9840312521417311,0.9882290453018985,0.8677438146802824,0.9367675279281749,0.9441929100130217
EOS-3-23123,COc1cc(-c2ccccn2)ccc1-c1cncc2nnc(-c3ccc(-c4cnnn4C)cn3)n12,OHGPMQCOIDENGI-UHFFFAOYSA-N,3,1,0.32,32,179,461.489,3.719,6,0.382,0.69,1.0,0.03631519429785484,0.023858885614419848,0.38085120964978414,0.314885888561442,0.1889777945308752
EOS-3-23124,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)n5)n34)cc2)cc1,OKJDSUCEBBNQKS-UHFFFAOYSA-N,3,1,0.434,93,74,461.489,3.719,6,0.382,0.69,1.0,0.12929202933315057,0.12666198341443355,0.2845504077856213,0.2929202933315057,0.2083561784661778
EOS-3-23125,Cn1c(-c2cscn2)nnc1-c1cncc2nnc(-c3cnc(-c4cccc(C#N)c4)nc3)n12,FBJFMCSLQRKYSQ-UHFFFAOYSA-N,3,1,0.333,8,754,463.49,3.039,6,0.386,0.67,1.0,0.0747549859502433,0.11327187992598177,0.08184839969844425,0.1379103556987184,0.10194640531834694
EOS-3-23126,CC(C)(O)c1ccnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cn4)n23)n1,DEFXHCLEKDLONO-UHFFFAOYSA-N,3,1,0.277,50,60,429.419,2.467,5,0.458,0.6,0.823,0.3037317524501405,0.3433023781783291,0.33932732506339525,0.20730244671372763,0.2984159756013981
EOS-3-23127,Cn1nc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1ccc(Cl)cn1,YZPAGZXAQZSZEL-UHFFFAOYSA-N,3,1,0.4,31,569,433.863,2.652,5,0.402,0.65,1.0,0.40239702556370366,0.38617983688575147,0.0845212802412446,0.12260126105133301,0.2489248509355082
EOS-3-23128,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1F,NOTHBFHZWUBWGV-UHFFFAOYSA-N,3,1,0.588,35,626,433.422,3.487,5,0.381,0.68,1.0,0.9303252004660407,0.845521211705846,0.6962768144746762,0.648284901651703,0.7801020320745665
EOS-3-23129,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)c1,PTTFAJYCZXYIAU-UHFFFAOYSA-N,3,1,0.506,4,31,417.86,3.819,5,0.404,0.8,1.0,0.4792851757932972,0.5084041532451511,0.5667020766225755,0.5574669316702077,0.5279645843328078
EOS-3-23130,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)c2)cn1,GCZUDDYCEADCPK-UHFFFAOYSA-N,3,1,0.483,7,828,422.412,2.192,5,0.414,0.66,0.795,0.5041720923857173,0.3193406894661092,0.2808409293400041,0.21632341854567885,0.3301692824343773
EOS-3-23131,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,PCQBJLLZEULQRO-UHFFFAOYSA-N,3,1,0.319,9,894,420.436,3.909,6,0.426,0.72,1.0,0.19536872044410938,0.08811082173942841,0.5365893358919882,0.49115036666438217,0.32780481118497706
EOS-3-23132,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncn6)cc5)n34)cn2)cc1,VWLIDKHOFXCVJA-UHFFFAOYSA-N,3,1,0.312,30,668,416.448,4.101,6,0.43,0.79,1.0,0.04070145980398876,0.04472791446782263,0.5767339455828936,0.5858834212870948,0.31201168528545
EOS-3-23134,Cn1nc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1ccc(Cl)c(Cl)c1,XPZSZVGCSRTTLS-UHFFFAOYSA-N,3,1,0.511,95,998,467.32,3.91,5,0.374,0.76,1.0,0.5272770886162703,0.47213179357137963,0.5398533342471387,0.6307998081008841,0.5425155061339182
EOS-3-23135,N#CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c1,NUNPPPYRYDRVBK-UHFFFAOYSA-N,3,1,0.441,87,905,441.43,2.729,5,0.378,0.67,0.722,0.617546775409499,0.4412822973065588,0.4884346514974985,0.46067781509149475,0.5019853848262628
EOS-3-23136,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nn1,DIXCRHSHVYRIEV-UHFFFAOYSA-N,3,1,0.493,22,542,421.371,2.645,5,0.426,0.69,1.0,0.35507333287643067,0.367212665341649,0.4537471729148105,0.4576451237063944,0.40841957370982107
EOS-3-23137,Cc1ncoc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1,KYQVDFXJPAZVPE-UHFFFAOYSA-N,3,1,0.325,38,983,432.447,4.274,6,0.406,0.69,1.0,0.17550202179425672,0.10041292577616338,0.44992632444657665,0.39443835240901925,0.280069906106504
EOS-3-23138,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ncc(Cl)cn5)[nH]4)n23)cc1,LQKWMZJKCKLAFH-UHFFFAOYSA-N,3,1,0.312,8,42,455.873,3.087,6,0.429,0.62,1.0,0.20649715578096087,0.23731238434651497,0.13468919196765128,0.20136556781577686,0.194966074977726
EOS-3-23139,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)nc1,GBLVAVKEEKIPQQ-UHFFFAOYSA-N,3,1,0.337,32,977,463.892,4.421,6,0.378,0.76,1.0,0.2765574669316702,0.3239839627167432,0.41689226235350557,0.4732197930230964,0.3726633712562538
EOS-3-23140,Fc1ccc(-c2cncnc2)cc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,UKUHLBRFCXGCSX-UHFFFAOYSA-N,3,1,0.347,32,687,446.449,4.511,6,0.393,0.71,0.979,0.2395140840243986,0.362260982797615,0.7374751559180317,0.7534781714755672,0.5231820985539031
EOS-3-23141,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(C)o5)cc4F)n23)cn1,STVPTVJPJDOHHE-UHFFFAOYSA-N,3,1,0.519,4,205,417.404,3.571,5,0.427,0.78,1.0,0.7283685148379138,0.6646562949763553,0.4570625728188609,0.3368257830169282,0.5467282914125146
EOS-3-23142,Cc1cc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(Cl)c5)c4)n23)ccn1,XWRNNKJLYFZHPY-UHFFFAOYSA-N,3,1,0.483,97,183,429.871,4.184,5,0.387,0.74,1.0,0.6549842368583373,0.5976972106092797,0.6716983071756563,0.6308083750257008,0.6387970324172435
EOS-3-23143,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5nnc6ccccn56)ncn4)n23)nc1,KWDXMRIQXWLYMS-UHFFFAOYSA-N,3,1,0.27,33,776,475.476,2.245,7,0.397,0.66,0.99,0.09283976423822904,0.023867452539236517,0.02405592488520321,0.05039065177164005,0.04778844835857721
EOS-3-23144,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)cc1F,NVDLCECYHVRTCY-UHFFFAOYSA-N,3,1,0.44,89,675,474.431,2.86,5,0.373,0.72,1.0,0.5976715098348296,0.4372215749434583,0.5859348228359947,0.46377904187512853,0.5211517373723528
EOS-3-23145,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)n1,OTKSQAIEQKBZOF-UHFFFAOYSA-N,3,1,0.314,38,193,437.492,3.772,6,0.414,0.65,1.0,0.07476355287505997,0.11609896511548215,0.24432012884654924,0.24252107463504902,0.1694259303680351
EOS-3-23146,N#Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5F)ns4)n23)cc1,WCSMTIUOHGXGHX-UHFFFAOYSA-N,3,1,0.583,1,230,429.44,3.9,5,0.417,0.74,1.0,0.772616681516003,0.8699540812829827,0.5196953601535192,0.6009012404907135,0.6907918408608046
EOS-3-23147,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)n2)nn1,VXVFFYLOTKSHSA-UHFFFAOYSA-N,3,1,0.257,99,259,436.443,1.839,6,0.406,0.58,0.992,0.017228085806318964,0.016208621753135494,0.038465492426838464,0.03879103556987184,0.02767330888904119
EOS-3-23148,Clc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,KXRUEZCCXGRILT-UHFFFAOYSA-N,3,1,0.31,94,543,464.88,3.816,6,0.383,0.69,0.958,0.1452779110410527,0.2834795421835378,0.3956034541840861,0.5344818723870879,0.3397106949489411
EOS-3-23149,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)ncn5)cnn4)n23)nc1,PFGPTYOSLPWJID-UHFFFAOYSA-N,3,1,0.378,46,128,435.81,2.805,5,0.384,0.62,0.998,0.5246556096223699,0.5540401617435405,0.4279350284421904,0.4789853334247139,0.49640403330820365
EOS-3-23150,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)nc1,BSOGXHZHPLJYBD-UHFFFAOYSA-N,3,1,0.282,86,790,419.412,2.286,6,0.423,0.67,0.983,0.014598039887601947,0.03146631485162086,0.08185696662326092,0.09812555685011308,0.05651171955314921
EOS-3-23151,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(F)cc(-c4cncn4C)c3)n12,PXCDRWSQOANHQM-UHFFFAOYSA-N,3,1,0.534,26,460,432.463,2.994,5,0.41,0.65,1.0,0.32143101912137617,0.37684188883558356,0.32825885820026046,0.2691984785141526,0.3239325611678432
EOS-3-23152,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(CO)c5)n34)ncn2)nc1,YXCVYHWYWWIEKC-UHFFFAOYSA-N,3,1,0.43,46,395,426.44,2.418,5,0.436,0.66,0.948,0.3758138578575834,0.16750908094030567,0.29901137687615653,0.20731101363854432,0.2624113323281475
EOS-3-23153,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4)n23)nc1,RZTUAVSEFSMQEW-UHFFFAOYSA-N,3,1,0.413,27,544,466.427,3.888,5,0.388,0.73,1.0,0.4644301281611953,0.43723014186827497,0.8704937975464327,0.6683486395723391,0.6101256767870605
EOS-3-23154,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cc1,XYOVKYSCZZWRCJ-UHFFFAOYSA-N,3,1,0.358,98,882,422.416,1.624,6,0.416,0.66,1.0,0.000848125556850113,0.008018641628401069,0.06077376464944144,0.06647076965252553,0.03402782537180454
EOS-3-23155,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)nc2)cn1,YQWJQQVBFXQFDU-UHFFFAOYSA-N,3,1,0.26,99,286,422.416,1.624,6,0.416,0.66,1.0,0.002287368926050305,0.009415050373517923,0.04759783428140635,0.05293502844219039,0.02805882050579124
EOS-3-23156,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)s1,DHHHGDQXCSQPCQ-UHFFFAOYSA-N,3,1,0.512,4,617,436.888,3.641,5,0.411,0.67,1.0,0.4716263450071962,0.6552583784524707,0.16874271811390584,0.2104550750462614,0.37652062915495854
EOS-3-23157,CONC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5)ncc4F)n23)cc1,YKJQOPPYNOKQON-UHFFFAOYSA-N,3,1,0.484,89,731,474.456,2.596,5,0.357,0.76,1.0,0.5451134260845727,0.3331334384209444,0.5365979028168049,0.3271794256733603,0.43550604824892053
EOS-3-23158,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c1,JMFXWBLEMBQEDL-UHFFFAOYSA-N,3,1,0.684,43,11,419.395,3.444,5,0.434,0.71,1.0,0.6489788225618532,0.6119954081282982,0.8073384277979576,0.7830426290178878,0.7128388218764992
EOS-3-23159,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cnccn5)n4)n23)c(F)c1,SRBIANKRHDDOLY-UHFFFAOYSA-N,3,1,0.442,7,408,458.417,1.511,5,0.397,0.6,1.0,0.5166455349187855,0.3908402439860188,0.12596806250428347,0.08639743677609485,0.27996281954629565
EOS-3-23160,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)cn1,KXEUKJJRZJNRDG-UHFFFAOYSA-N,3,1,0.3,70,957,437.492,3.772,6,0.414,0.64,0.987,0.04648413405523953,0.03742032759920499,0.2089130285792612,0.2396425878966486,0.13311501953258859
EOS-3-23162,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)nc(CO)c1F,NEPYXXDQGADPPX-UHFFFAOYSA-N,3,1,0.548,65,393,458.457,2.6,5,0.392,0.64,1.0,0.6459289973271195,0.6793485710369406,0.2157494345829621,0.1793742718113906,0.4301003186896032
EOS-3-23163,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cn1,QZSDYJQONBHAIW-UHFFFAOYSA-N,3,1,0.3,42,369,450.441,3.245,6,0.402,0.63,1.0,0.22874545952984718,0.24275238160509904,0.4354996230553081,0.44176204509629224,0.33718987732163663
EOS-3-23164,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)ncn1,MQMNBOZCUUYXET-UHFFFAOYSA-N,3,1,0.341,25,74,450.441,3.245,6,0.402,0.63,1.0,0.16483620039750532,0.29897710917688985,0.3097971352203413,0.42914296484134057,0.30068835240901925
EOS-3-23165,Cn1nncc1-c1cncc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c1,BFHPDRZGWPJUSQ-UHFFFAOYSA-N,3,1,0.31,39,972,450.441,3.245,6,0.402,0.63,1.0,0.09517853471317936,0.14815639777945308,0.32109690905352617,0.40354499348913714,0.24199420875882394
EOS-3-23166,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccc2F)cn1,OJFJCLHPXBJOBV-UHFFFAOYSA-N,3,1,0.534,35,426,445.433,3.851,5,0.392,0.65,1.0,0.9212956617092728,0.8887584812555686,0.735119251593448,0.70004626139401,0.8113049139880748
EOS-3-23167,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5nccnn5)c4)n23)cc1Cl,WVCYPBNOBGPJGL-UHFFFAOYSA-N,3,1,0.561,36,659,452.265,3.319,5,0.396,0.62,1.0,0.8036974847508739,0.9286974847508739,0.4814954423959975,0.6009098074155301,0.7037000548283189
EOS-3-23168,Cc1nn(C)cc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,KWFRGTPSIXJUJI-UHFFFAOYSA-N,3,1,0.422,46,915,449.877,4.267,5,0.398,0.71,1.0,0.5066650675073675,0.5682184223151258,0.729782057432664,0.7113546021520115,0.6290050373517921
EOS-3-23169,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)nc1,CLOKVNILMQUGHZ-UHFFFAOYSA-N,3,1,0.42,54,873,428.431,3.107,5,0.406,0.64,0.999,0.5692550202179426,0.49946028373654994,0.34289973271194574,0.33683434994174494,0.4371123466520458
EOS-3-23170,Cc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)n1,ZNWKXNITDDHVGW-UHFFFAOYSA-N,3,1,0.518,20,658,428.431,3.107,5,0.406,0.64,1.0,0.8751456377218834,0.8455297786306627,0.3619611404290316,0.3431481735316291,0.6064461825783016
EOS-3-23171,COc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)cn4)n23)c(F)c1,GAOSQCOKBGDXBY-UHFFFAOYSA-N,3,1,0.345,96,46,432.846,4.716,5,0.409,0.74,1.0,0.46443869508601193,0.5884449318072784,0.8261770954698101,0.840492426838462,0.6798882873003906
EOS-3-23172,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)nn1,GHZAOYFQUUDLPC-UHFFFAOYSA-N,3,1,0.376,51,924,420.824,2.004,5,0.42,0.66,1.0,0.2877116030429717,0.4372387087930916,0.09869097388801316,0.1269960934822836,0.23765934480159004
EOS-3-23173,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1ccnc(F)c1,VEFFJLGCKIBEAL-UHFFFAOYSA-N,3,1,0.427,95,493,434.41,2.882,5,0.379,0.67,0.929,0.4551350147351107,0.31934925639092593,0.49167294907819886,0.4881862106778151,0.4385858577205126
EOS-3-23174,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)cc2F)nc1,AHJKMXJDRIVTIM-UHFFFAOYSA-N,3,1,0.5,73,82,452.812,3.549,5,0.399,0.65,1.0,0.8622695497224316,0.8783068329792337,0.6611352888767048,0.7165718593653622,0.7795708827359331
EOS-3-23175,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)c(F)n4)n23)n(C)n1,WQHDDYVPGVDAJV-UHFFFAOYSA-N,3,1,0.389,46,662,450.865,3.662,5,0.377,0.71,1.0,0.42507367555342335,0.4547580700431773,0.46060071276814474,0.4670516071550956,0.4518710163799603
EOS-3-23176,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cncnc4-c4ccccc4)n23)nc1,GMNVYUDDIKXEHE-UHFFFAOYSA-N,3,1,0.264,94,342,432.451,3.106,6,0.418,0.63,0.871,0.03764306764443835,0.01938695086011925,0.21933897608114591,0.2572647522445343,0.13340843670755947
EOS-3-23177,Fc1ccnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)ccn2)n1,LUFAWQIIZXNPMX-UHFFFAOYSA-N,3,1,0.329,30,20,446.449,4.511,6,0.368,0.77,1.0,0.2986258652594065,0.36226954972243164,0.569991775752176,0.6072664656294976,0.4595384140908779
EOS-3-23178,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccc2F)cn1,WQSCMMLNTDWWSF-UHFFFAOYSA-N,3,1,0.5,16,253,445.433,4.117,5,0.402,0.7,1.0,0.8532999794393804,0.8008961003358235,0.7994825577410732,0.7084075800150778,0.7905215543828388
EOS-3-23179,Cc1cnnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nn5)n34)ncn2)n1,KJJIDQGYNDKIQC-UHFFFAOYSA-N,3,1,0.284,76,272,446.438,2.261,6,0.393,0.61,0.007,0.07477211979987664,0.023876019464053183,0.039861901171955316,0.04918271537248989,0.046923188952093756
EOS-3-23180,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)ccn1,YQLGOYXCFNOZLO-UHFFFAOYSA-N,3,1,0.467,18,503,447.861,4.057,5,0.362,0.7,0.997,0.667372010143239,0.6938609416763758,0.6717068741004729,0.7113631690768282,0.6860757487492289
EOS-3-23181,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)cc1,HSCNMGXMKXPRAV-UHFFFAOYSA-N,3,1,0.329,38,983,436.504,4.377,6,0.408,0.69,1.0,0.1262507710232335,0.1102820231649647,0.4028168048797204,0.3819220752518676,0.25531791857994657
EOS-3-23182,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)ns1,CGEWIVGAYGTIKT-UHFFFAOYSA-N,3,1,0.712,43,11,436.447,4.475,5,0.404,0.8,1.0,0.7522873689260503,0.6695737098211226,0.7088873278048112,0.7000548283188267,0.7077008087177027
EOS-3-23183,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5c(F)cc(F)cc5F)n34)c2)cn1,KVPWDIYSCDKRMH-UHFFFAOYSA-N,3,1,0.542,84,884,451.412,3.626,5,0.392,0.7,1.0,0.5605938592282914,0.5309780001370707,0.8690631211020492,0.8362860667534782,0.6992302618052224
EOS-3-23184,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncn5C)n34)c2)cs1,ZUJCMKUUMALTCX-UHFFFAOYSA-N,3,1,0.488,15,684,417.498,3.578,5,0.42,0.85,1.0,0.38735350558563497,0.3331420053457611,0.19497464190254266,0.14018915769995202,0.2639148276334727
EOS-3-23185,Cc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1ncnn1C,UNVWDDNTFQALAL-UHFFFAOYSA-N,3,1,0.411,31,122,435.398,2.542,5,0.388,0.65,0.981,0.40893358919882117,0.3815536974847509,0.23715817969981495,0.22786306627373037,0.31387713316427934
EOS-3-23186,Cc1nc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccncc5)c4)n23)ncc1F,UWXZFZSTMIVMAN-UHFFFAOYSA-N,3,1,0.506,35,795,445.433,3.851,5,0.392,0.68,1.0,0.8711277499828661,0.8351895003769447,0.5667106435473922,0.5798351723665273,0.7132157665684327
EOS-3-23187,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nc1,SBYJKSKISRXMST-UHFFFAOYSA-N,3,1,0.566,27,343,431.406,4.16,5,0.399,0.7,1.0,0.6976132547460764,0.6695822767459393,0.8634175176478651,0.7946251113700226,0.7563095401274758
EOS-3-23188,CCn1c(-c2ccccn2)nnc1-c1cncc2nnc(-c3ccc(-c4nncn4C)nc3)n12,DTAIXTSVUDVQQK-UHFFFAOYSA-N,3,1,0.289,99,754,450.47,2.322,6,0.388,0.62,0.912,0.06319820437255842,0.03742889452402166,0.008901034884517853,0.010177506682201357,0.029926410115824822
EOS-3-23189,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccc(F)cn5)n4)n23)cc1,ATRHCRYKJMOYSN-UHFFFAOYSA-N,3,1,0.314,10,507,455.392,2.564,6,0.394,0.63,0.886,0.05439997258584059,0.23732095127133165,0.20546912480296073,0.35282023164964704,0.212502570077445
EOS-3-23190,COc1ncc(-c2nnc3cncc(OCc4c(F)ccnc4-c4ccc(F)nc4)n23)cn1,ZRSHAERIFICUPE-UHFFFAOYSA-N,3,1,0.44,55,879,448.393,2.904,5,0.362,0.69,1.0,0.7551401548900006,0.544822150640806,0.48500788157083136,0.4035535604139538,0.547130936878898
EOS-3-23191,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)nc2)s1,KBKBOBATKPJZFW-UHFFFAOYSA-N,3,1,0.287,70,968,438.48,3.465,6,0.444,0.62,0.818,0.04515626070865602,0.10716366253169762,0.09869954081282983,0.10222911383729696,0.08831214447262012
EOS-3-23192,Cc1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1-c1nccn1C,RYNHXLKJHNIYKF-UHFFFAOYSA-N,3,1,0.478,20,279,446.902,3.565,5,0.393,0.66,1.0,0.6915650058255088,0.6305428003563841,0.29179802618052225,0.26920704543896923,0.4707782194503461
EOS-3-23193,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(C)n4)n23)cn1,LEMNSBBJPUUPAZ-UHFFFAOYSA-N,3,1,0.506,90,555,409.837,2.482,4,0.539,0.79,1.0,0.49910047289424986,0.49472277431293266,0.19839284490439313,0.13547734905078473,0.3319233602905901
EOS-3-23194,Cn1ccnc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)c(F)c1,FSPGGEHQRWFKLT-UHFFFAOYSA-N,3,1,0.4,67,789,468.456,3.314,6,0.379,0.72,1.0,0.5166541018436023,0.5040521554382839,0.277234253992187,0.22787163319854706,0.38145303611815506
EOS-3-23195,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(CO)c5)n34)ccn2)nn1,ZCOJZVIQGFBTJW-UHFFFAOYSA-N,3,1,0.478,24,241,426.44,2.418,5,0.436,0.68,1.0,0.35750633952436434,0.2373295181961483,0.3026523199232404,0.20731958056336097,0.2762019395517785
EOS-3-23196,Fc1cc(F)cc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)c1,IYHNQNXYYKAFMN-UHFFFAOYSA-N,3,1,0.46,44,488,435.369,3.64,5,0.389,0.66,1.0,0.7283770817627304,0.7039870468096772,0.8690716880268659,0.864608320197382,0.7915110341991638
EOS-3-23197,Fc1cc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)ccn1,WTNGUVMWLBWALT-UHFFFAOYSA-N,3,1,0.62,11,275,446.873,4.662,5,0.353,0.78,1.0,0.9683023781783291,0.9858560071276814,0.8335617846617778,0.8531029401685971,0.9102057775340964
EOS-3-23198,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5nnc(-c6cccnc6)[nH]5)n34)cn2)nc1,RIQAAVRNLBIAHA-UHFFFAOYSA-N,3,1,0.284,86,407,437.402,2.63,6,0.441,0.59,0.788,0.1842659858817079,0.23226646562949763,0.19138510040435885,0.26645706257281887,0.21859365362209582
EOS-3-23199,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)nc2)cn1,CQVKWBYWJFBKKX-UHFFFAOYSA-N,3,1,0.321,70,968,446.478,3.414,6,0.405,0.65,1.0,0.057972380234391066,0.0672760605852923,0.2515934480159002,0.19841854567884312,0.14381510862860666
EOS-3-23200,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cncc(CO)c5)n34)c2)cn1,GMIXRUZXBUGHEP-UHFFFAOYSA-N,3,1,0.506,16,256,425.452,3.023,5,0.442,0.68,1.0,0.46672606401206224,0.3089832773627579,0.5298214652868206,0.39747961071893634,0.4257526043451443
EOS-3-23201,Fc1ccc(CCc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)nc1,XKOXJMYUEJRWMS-UHFFFAOYSA-N,3,1,0.317,85,580,432.85,3.616,5,0.391,0.67,0.985,0.3596909053526146,0.4372472757179083,0.46776266191487903,0.5670104859159756,0.4579278322253444
EOS-3-23202,FCc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)cc1F,UYPPVOYRJBAOEF-UHFFFAOYSA-N,3,1,0.585,90,281,419.794,4.209,4,0.468,0.71,1.0,0.8664930436570488,0.9433983277362757,0.9113837296963881,0.9276009183743403,0.9122190048660133
EOS-3-23203,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(C)n2)cn1,ATRRCFAKIUPYIP-UHFFFAOYSA-N,3,1,0.495,65,282,458.913,3.93,5,0.377,0.71,1.0,0.752295935850867,0.767356589678569,0.35070420121993007,0.3208484682338428,0.5478012987458022
EOS-3-23204,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)s4)n23)o1,QVEKJYLDQKUXIQ-UHFFFAOYSA-N,3,1,0.273,76,601,427.453,3.365,6,0.421,0.66,1.0,0.033608046055787814,0.0262404907134535,0.08684291686656158,0.12700466040710026,0.06842402851072579
EOS-3-23205,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc2)c1,LTWUUVGKGAQFAW-UHFFFAOYSA-N,3,1,0.478,18,578,447.861,4.057,5,0.362,0.71,1.0,0.8902919607977521,0.8783153999040504,0.6908710849153588,0.7245133986704133,0.7959979610718937
EOS-3-23207,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccc2F)cn1,UQUHZOJQQIEQKK-UHFFFAOYSA-N,3,1,0.529,59,910,448.408,4.553,5,0.393,0.74,1.0,0.9498063874991433,0.9318415461585909,0.9335206634226578,0.9160784044959221,0.9328117503940786
EOS-3-23208,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)cn1,MBWANXMAKCAJRH-UHFFFAOYSA-N,3,1,0.483,7,99,447.846,2.158,5,0.412,0.62,1.0,0.48159824549379754,0.4721403604961963,0.23014186827496402,0.23082722226029745,0.3536769241313138
EOS-3-23209,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnco5)nc(C)n4)n23)cc1,UNTISDLITISVFF-UHFFFAOYSA-N,3,1,0.333,74,139,412.413,2.571,5,0.478,0.76,1.0,0.22875402645466383,0.06359228291412515,0.17196388184497294,0.0882221917620451,0.13813309574395177
EOS-3-23210,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccncc4-c4ccc(F)cc4)n23)cn1,YGHAZLKDDNTBMP-UHFFFAOYSA-N,3,1,0.346,42,693,448.465,4.455,6,0.396,0.74,0.999,0.2716057843876362,0.32849873209512714,0.6962853813994928,0.7084161469398944,0.5012015112055377
EOS-3-23211,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncc(Cl)cn5)c4)n23)nn1,RAISABCNHFBAHH-UHFFFAOYSA-N,3,1,0.398,53,382,432.835,2.369,5,0.408,0.58,0.852,0.594981495442396,0.5833390446165444,0.09160612706462888,0.11342608457268179,0.3458381879240628
EOS-3-23212,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)nc2)nn1,IAQAYNBOWVTXIV-UHFFFAOYSA-N,3,1,0.262,42,171,463.892,4.421,6,0.378,0.74,0.989,0.16749194709067233,0.24784113494619972,0.6139315331368652,0.6654273182098553,0.42367298334589815
EOS-3-23213,Fc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ncn[nH]1,GGWCXJJXHCYNBD-UHFFFAOYSA-N,3,1,0.517,4,554,422.811,3.343,5,0.433,0.7,1.0,0.7371324789253649,0.7411589335891988,0.6551555753546707,0.6860564731683915,0.7048758652594065
EOS-3-23214,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)s1,LRMBESMOBFXGHS-UHFFFAOYSA-N,3,1,0.649,43,909,434.912,4.851,5,0.393,0.8,1.0,0.8644284147762319,0.9318501130834076,0.5398619011719553,0.5979542183537797,0.7335236618463437
EOS-3-23215,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)ccn2)c1,RHZQEAGWPPZLFT-UHFFFAOYSA-N,3,1,0.471,55,980,432.394,3.204,5,0.417,0.63,1.0,0.7494260160372832,0.5833476115413612,0.6139401000616819,0.5764940716880269,0.6308019498320883
EOS-3-23216,Cc1nc(COc2cncc3nnc(-c4ccccc4F)n23)cc(-c2cnc(F)cn2)n1,GCWXDECCFZZULK-UHFFFAOYSA-N,3,1,0.511,4,354,432.394,3.204,5,0.417,0.64,1.0,0.6372678363374683,0.7271691453635802,0.43172160921115754,0.4323726954972243,0.5571328216023576
EOS-3-23217,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cnccn4)n23)c(F)c1,KCTRGRGXXMXGHO-UHFFFAOYSA-N,3,1,0.306,42,327,449.453,3.85,6,0.403,0.65,1.0,0.1870588033719416,0.26299602494688507,0.5499965732300733,0.5507076279898567,0.38768975738468914
EOS-3-23218,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)s2)no1,HTRLQNZQIIQWTD-UHFFFAOYSA-N,3,1,0.333,38,608,428.437,3.928,6,0.411,0.69,1.0,0.1927815091494757,0.20253066959084368,0.11164416421081488,0.12260982797614968,0.157391542731821
EOS-3-23219,COc1ncc(F)cc1-c1ccnc(COc2cncc3nnc(-c4ccc(C)nc4)n23)c1,FPWABNLHKIINNH-UHFFFAOYSA-N,3,1,0.523,4,205,443.442,3.678,5,0.392,0.69,1.0,0.6285895414981838,0.6793571379617572,0.5567130422863409,0.3944469193338359,0.5647766602700295
EOS-3-23220,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)cc5)n34)cn2)nc1,CDAOHQGNQJUQLX-UHFFFAOYSA-N,3,1,0.312,32,152,446.449,4.511,6,0.393,0.72,1.0,0.29057295593173876,0.3955092180111027,0.6852768830100747,0.7084247138647112,0.5199459427044069
EOS-3-23221,Fc1ccccc1-c1nccnc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,AGPPFWKLRPJZGS-UHFFFAOYSA-N,3,1,0.354,30,365,446.449,4.511,6,0.393,0.72,0.994,0.2608885614419848,0.34331094510314575,0.494919813583716,0.6134860530463985,0.4281513432938112
EOS-3-23222,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnccn4)n23)cc1Cl,ZGCKINPAAXSYDH-UHFFFAOYSA-N,3,1,0.489,7,815,433.863,3.092,5,0.402,0.63,1.0,0.3620125419779316,0.5309865670618875,0.1592505654170379,0.19842711260365978,0.3126691967651292
EOS-3-23223,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6noc(C)n6)cn5)n34)cn2)n1,DXZCBSGHQLAXBZ-UHFFFAOYSA-N,3,1,0.316,86,812,438.411,2.965,6,0.4,0.63,1.0,0.19279007607429238,0.14077170858748544,0.04280892330888904,0.03334247138647111,0.10242829483928449
EOS-3-23224,Cc1cc(-c2ccc(F)cc2O)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)nc3C)n12,XQERZSXABCQKPC-UHFFFAOYSA-N,3,1,0.312,62,3,454.465,4.081,5,0.422,0.71,0.998,0.4479730655883764,0.4412908642313755,0.5827479268041944,0.5344904393119047,0.5016255739839627
EOS-3-23225,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cc(F)cc(Cl)c5)cn4)n23)cc1,NVSWVQAIHWYCRL-UHFFFAOYSA-N,3,1,0.369,62,586,474.883,4.798,5,0.393,0.83,1.0,0.6003786580768967,0.6168699883489822,0.8172674936604757,0.7759320814200534,0.702612055376602
EOS-3-23226,Cn1ncnc1-c1cncc(-c2cncc3nnc(-c4ncccc4-c4cccc(F)c4)n23)n1,AEEFLCLVXVHKRF-UHFFFAOYSA-N,3,1,0.322,10,72,450.441,3.245,6,0.402,0.62,0.983,0.11558494962648208,0.1443526831608526,0.20892159550407785,0.30866630114454113,0.1943813823589884
EOS-3-23227,OCc1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cnco6)c5)n34)cc2)cc1,WVTCPLZPSFIPHT-UHFFFAOYSA-N,3,1,0.344,69,30,446.47,4.668,6,0.411,0.75,1.0,0.2504540470152834,0.22231169899252964,0.8207113974367761,0.7830511959427044,0.5191320848468235
EOS-3-23228,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cn1,PCLXFVRLILXYRY-UHFFFAOYSA-N,3,1,0.621,90,636,410.384,2.446,4,0.525,0.77,1.0,0.6734630936878898,0.4237286683572065,0.5431944349256391,0.4544496607497773,0.5237089644301283
EOS-3-23229,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)c2)nn1,UVFUHNACLZWNDX-UHFFFAOYSA-N,3,1,0.535,15,438,444.886,3.622,5,0.366,0.68,1.0,0.8344613117675279,0.8317113289013776,0.35457645123706394,0.38193064217668427,0.6006699335206634
EOS-3-23230,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1ncccn1,HRNKRQXIVAVCFA-UHFFFAOYSA-N,3,1,0.511,37,325,448.849,3.452,5,0.364,0.7,1.0,0.9551692824343774,0.9533102597491604,0.4428329106983757,0.470007196216846,0.7053299122746899
EOS-3-23231,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1F,DLUUWEOMAUDKBC-UHFFFAOYSA-N,3,1,0.565,35,353,449.877,4.001,5,0.389,0.67,1.0,0.9037334658351038,0.8965201151394695,0.6799996573230074,0.6916421081488588,0.7929738366116099
EOS-3-23233,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)n1,IBIKEBBBDNXWRY-UHFFFAOYSA-N,3,1,0.31,76,902,467.884,3.154,6,0.384,0.67,0.925,0.21759132341854567,0.21198855458844493,0.11474539099444864,0.17109862243848947,0.1788559728599822
EOS-3-23234,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c2)cn1,PGYNVBIPGACTRU-UHFFFAOYSA-N,3,1,0.617,4,439,431.406,3.809,5,0.418,0.65,1.0,0.5664536358028922,0.6022205469124803,0.7684360222054691,0.72452196559523,0.6654080426290179
EOS-3-23235,CCn1c(-c2cnc(C)cn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccnn4C)nc3)n12,WVDBQMRIPMHIKL-UHFFFAOYSA-N,3,1,0.295,99,754,464.497,2.631,6,0.378,0.68,0.989,0.04361421424165581,0.05188129668974025,0.01407545747378521,0.012447741758618326,0.030504677540949897
EOS-3-23236,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nn1,PQESMRAUUDZQOU-UHFFFAOYSA-N,3,1,0.474,87,838,448.849,3.452,5,0.389,0.64,1.0,0.7159293400041121,0.7757179082996367,0.5298300322116373,0.579843739291344,0.6503302549516825
EOS-3-23237,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nc2)cn1,RTNKPXHSILMOMX-UHFFFAOYSA-N,3,1,0.402,92,94,419.836,2.609,5,0.427,0.68,1.0,0.31419196765129187,0.38156226440956753,0.2953190322801727,0.27501542046467,0.3165221712014255
EOS-3-23238,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5F)cc4)n23)cc1,MZRUMOXFXXVNQC-UHFFFAOYSA-N,3,1,0.374,83,472,455.468,5.153,5,0.398,0.83,1.0,0.3873620725104516,0.37685045576040027,0.8916798026180522,0.8662017682132822,0.6305235247755465
EOS-3-23239,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ncc(Cl)cn5)n4)n23)cn1,IMZYHGSENZNODE-UHFFFAOYSA-N,3,1,0.277,86,261,456.861,2.482,6,0.423,0.61,0.994,0.15924199849222123,0.2681447467617024,0.0607823315742581,0.09211157562881228,0.1450701631142485
EOS-3-23240,CCn1cnnc1-c1cc(-c2nnc3cncc(COc4cc(F)ccc4F)n23)ccc1F,ZGZIRTRIGZLKET-UHFFFAOYSA-N,3,1,0.388,34,252,451.412,4.066,5,0.387,0.69,1.0,0.5191213761908026,0.6598074155301213,0.7662771571516689,0.7808666301144541,0.6815181447467618
EOS-3-23241,Cn1ncnc1-c1nc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1F,FNEINFXHSNZYPQ-UHFFFAOYSA-N,3,1,0.467,27,69,453.388,3.033,5,0.386,0.66,0.989,0.5041806593105339,0.6168785552737989,0.4815040093208142,0.4196336782948393,0.5055492255499966
EOS-3-23242,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnc5cc(Cl)ccc5c4)n23)nc1,FIFJQTJOAMQAIA-UHFFFAOYSA-N,3,1,0.276,70,179,438.882,4.455,6,0.405,0.72,1.0,0.16484476732232198,0.27329346857651976,0.6344750188472346,0.7054262901788774,0.44450988623123844
EOS-3-23243,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5C)n34)c2)cn1,NJMYHAUUIDGDTO-UHFFFAOYSA-N,3,1,0.489,18,720,441.47,4.021,5,0.393,0.68,1.0,0.6229867726680831,0.5402388458638887,0.55000514015489,0.4637876087999452,0.5442545918717018
EOS-3-23244,COc1ncc(-c2nnc3cncc(OCc4ccc(-c5nnc(C)n5C)nc4)n23)cn1,XFVRXNYRJCOPEN-UHFFFAOYSA-N,3,1,0.488,92,986,430.432,1.668,5,0.392,0.68,1.0,0.284970187101638,0.08489822493317799,0.02111746967308615,0.006836406003700912,0.09945557192790076
EOS-3-23245,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(=N)[nH]n5)c(F)c4)n23)cc1,FRDFGYMQHGJEHH-UHFFFAOYSA-N,3,1,0.529,43,230,439.414,2.646,5,0.429,0.73,1.0,0.8939072030703858,0.7627989856761017,0.7064543211568776,0.6539476389555205,0.7542770372147214
EOS-3-23246,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,QHZPKGKJECWPIZ-UHFFFAOYSA-N,3,1,0.506,12,285,460.501,4.228,6,0.367,0.75,1.0,0.45514358165992735,0.3239925296415599,0.36196970735384826,0.3788379823178672,0.3799859502433007
EOS-3-23247,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cncc(-c5cncc(CO)n5)c4)n23)nc1,HHXCVTOEVDPNOY-UHFFFAOYSA-N,3,1,0.28,33,432,465.477,2.09,6,0.385,0.72,0.981,0.12350935508189981,0.06360084983894182,0.08452984716606127,0.10641834007264753,0.0945145980398876
EOS-3-23248,Cn1nc(F)cc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,HFPPOGZBUCNHTP-UHFFFAOYSA-N,3,1,0.507,34,706,422.811,3.567,5,0.437,0.71,1.0,0.6734716606127065,0.8489565485573298,0.49851792200671646,0.560473922280858,0.6453550133644027
EOS-3-23249,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)n1,HRFFNKVZALWNLN-UHFFFAOYSA-N,3,1,0.441,18,531,446.421,3.246,5,0.392,0.64,1.0,0.7159379069289288,0.5402474127887054,0.4169008292783222,0.4259732026591735,0.5247648379137825
EOS-3-23250,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3)n12,YNIIBPHZAVTPIY-UHFFFAOYSA-N,3,1,0.61,84,73,436.834,4.255,5,0.393,0.72,1.0,0.8989616887122198,0.851946405318347,0.7906157905558221,0.792320608594339,0.833461123295182
EOS-3-23251,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnc5)cc4F)n23)cc1F,JRMSXKZPMSWCFY-UHFFFAOYSA-N,3,1,0.361,85,647,484.47,3.405,6,0.393,0.82,0.769,0.22028990473579604,0.2733020355013364,0.4499348913713933,0.5208690288534028,0.3660989651154821
EOS-3-23252,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,WFGITNQUGNVNKC-UHFFFAOYSA-N,3,1,0.653,43,178,434.862,4.563,5,0.405,0.73,1.0,0.8956548557329861,0.9232917551915565,0.8964344458913028,0.8963145089438695,0.9029238914399287
EOS-3-23253,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ncc(F)cc5F)n34)ccn2)cc1,HAOCMWTYEWYAFG-UHFFFAOYSA-N,3,1,0.452,13,417,420.354,4.458,5,0.427,0.78,1.0,0.8956634226578027,0.8807998081008841,0.9043674182715372,0.9048814337605373,0.8964280206976903
EOS-3-23254,c1cnc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cnco6)c5)n34)cc2)nc1,JFYMJHWOBWVRKC-UHFFFAOYSA-N,3,1,0.329,42,106,418.42,3.965,6,0.423,0.76,1.0,0.1815245699403742,0.11328044685079844,0.5127047495031184,0.4821379617572476,0.32241193201288465
EOS-3-23255,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ncco5)cc4)n23)nc1,DKSPCKNOHYQBAL-UHFFFAOYSA-N,3,1,0.28,32,515,418.42,3.965,6,0.423,0.76,1.0,0.12351792200671646,0.12667055033925023,0.3545850181618806,0.37543691316565003,0.24505260091837433
EOS-3-23256,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nccnc5Cl)n4)n23)cn1,RXJQOLQHKSTDDQ-UHFFFAOYSA-N,3,1,0.478,4,390,448.849,3.718,5,0.4,0.67,1.0,0.664536358028922,0.7757264752244535,0.4205846069494894,0.432381262422041,0.5733071756562265
EOS-3-23257,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(C5(F)CCOCC5)nc4)n23)cn1,LGLNVUTYCQZWRE-UHFFFAOYSA-N,3,1,0.457,68,127,457.416,3.468,5,0.434,0.65,0.969,0.5140326228497019,0.5084127201699677,0.20893016242889453,0.32085703515865943,0.3880581351518059
EOS-3-23259,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)nc1,ZTXWYILOZAJXSR-UHFFFAOYSA-N,3,1,0.562,59,293,450.836,4.759,5,0.384,0.76,1.0,0.9290744294428072,0.9159927352477555,0.9093962031389212,0.9171321362483723,0.9178988760194641
EOS-3-23260,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)cc1Cl,QKUMXCAJHRZVKG-UHFFFAOYSA-N,3,1,0.722,59,293,450.836,4.759,5,0.384,0.76,1.0,0.9853077239394147,0.9753615242272634,0.9319529161812076,0.9359279692961414,0.9571375334110068
EOS-3-23261,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)c1,CGQLPMGITRZDCM-UHFFFAOYSA-N,3,1,0.442,92,908,442.418,2.449,5,0.389,0.65,1.0,0.3961260365979028,0.4193167020766226,0.24791823726954973,0.22467617024192996,0.32200928654650124
EOS-3-23262,Cn1c(OCc2cncc3nnc(-c4ccc(Cl)cc4)n23)nnc1-c1cccnn1,VIFLGMFZYBOUKP-UHFFFAOYSA-N,3,1,0.412,36,487,419.836,2.609,5,0.427,0.71,1.0,0.5140411897745185,0.6120039750531149,0.07322150640805976,0.14492666712356933,0.3360483345898156
EOS-3-23263,Fc1cc(-c2nnc3cncc(CCc4cncc(Cl)c4)n23)cnc1-c1ccccc1,DBSSZFVRXVXOJK-UHFFFAOYSA-N,3,1,0.351,14,886,430.874,4.826,5,0.399,0.79,1.0,0.4457799328353094,0.5728959632650263,0.7194674799533959,0.820351586594476,0.639623740662052
EOS-3-23264,COc1nccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)nc1C,ISXHIVFASXLSEH-UHFFFAOYSA-N,3,1,0.444,46,16,461.432,3.818,5,0.376,0.71,0.9,0.6734802275375231,0.5977057775340964,0.5500137070797066,0.46379617572476184,0.571248971969022
EOS-3-23265,Cn1c(-c2ccc(F)nc2)nnc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,TXRAOWGTDPPNMU-UHFFFAOYSA-N,3,1,0.286,8,880,451.429,2.64,6,0.372,0.65,0.832,0.08786238091974505,0.1716726064012062,0.06275272428209171,0.14244225892673565,0.11618249263244465
EOS-3-23266,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)no1,NMZHZSLRRVPNBJ-UHFFFAOYSA-N,3,1,0.512,4,506,420.82,3.172,5,0.422,0.71,1.0,0.49910903981906657,0.5220255637036529,0.1881039681995751,0.2045952984716606,0.3534584675484888
EOS-3-23267,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nc5)c4)n23)cc1,SJVNMMWCJLYVLT-UHFFFAOYSA-N,3,1,0.53,97,230,428.883,4.789,5,0.374,0.82,1.0,0.9185199780686725,0.872575560276883,0.8015043519978069,0.7735933109451032,0.8415483003221165
EOS-3-23268,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5c(C)noc5C)n34)cn2)cn1,RMDRQFDMKMDRIW-UHFFFAOYSA-N,3,1,0.511,65,282,428.456,3.178,5,0.402,0.73,1.0,0.33422143787266123,0.2834881091083545,0.07093413748200945,0.039973271194571995,0.18215423891439927
EOS-3-23269,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c(F)c2)ns1,AYEHVNRISVRSMN-UHFFFAOYSA-N,3,1,0.566,4,71,437.435,3.87,5,0.412,0.73,1.0,0.5140497566993352,0.6646648619011719,0.48844321842231514,0.4973356863820163,0.5411233808512096
EOS-3-23270,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccs5)n4)n23)c1,QHSYYNLAHUTKJI-UHFFFAOYSA-N,3,1,0.307,39,527,442.443,3.092,6,0.409,0.62,0.905,0.03483311630457131,0.1407802755123021,0.06079089849907477,0.14980124734425332,0.09655138441505037
EOS-3-23271,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)c(F)c2)cn1,SNLRISGUYCUSMG-UHFFFAOYSA-N,3,1,0.32,42,174,448.465,4.455,6,0.396,0.72,1.0,0.18153313686519087,0.2783136865190871,0.779992803783154,0.7560396819957508,0.49896982729079575
EOS-3-23272,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c(F)c1,HOMIEORAGNZQIG-UHFFFAOYSA-N,3,1,0.358,42,762,448.465,4.455,6,0.396,0.72,1.0,0.2794873552189706,0.33315057227057776,0.680008224247824,0.6654358851346721,0.48952050921801116
EOS-3-23273,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cc2F)n[nH]1,MSOJRGORBHMHJU-UHFFFAOYSA-N,3,1,0.484,47,610,437.826,3.046,5,0.416,0.66,1.0,0.6579655266945378,0.7179511342608458,0.40647488177643754,0.4164467822630389,0.5497095812487149
EOS-3-23274,CC(F)(F)c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)n5)n4)n23)cn1,PMPCIFUGSNDSER-UHFFFAOYSA-N,3,1,0.376,50,243,439.817,3.594,5,0.394,0.66,0.969,0.05440853951065725,0.26815331368651907,0.6688455212117058,0.6039339318758139,0.39883532657117404
EOS-3-23275,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cc(-c4ccsc4Cl)ncn3)n12,BUTXTHGUVQAOCF-UHFFFAOYSA-N,3,1,0.35,74,155,447.911,4.038,5,0.445,0.65,0.999,0.08787094784456172,0.2071739428414776,0.4537557398396272,0.43238982934685766,0.295297614968131
EOS-3-23276,CCc1nc(COc2cncc3nnc(-c4ccc(-c5nncc(C)n5)nc4)n23)ccc1F,JYZDWOZHROHYJF-UHFFFAOYSA-N,3,1,0.457,7,185,443.446,3.022,5,0.39,0.69,0.995,0.5140583236241518,0.6552669453772874,0.13789322184908506,0.1109759440751148,0.35454860873140975
EOS-3-23277,Cc1nc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)n2C)ncc1F,AHAFHYQUZBCNMX-UHFFFAOYSA-N,3,1,0.297,99,754,469.448,1.682,6,0.374,0.67,1.0,0.18154170379000753,0.2223202659173463,0.008909601809334521,0.009809128915084642,0.10564517510794325
EOS-3-23278,FC(F)c1ccc(COc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)cn1,XATQZHUHEIXSFM-UHFFFAOYSA-N,3,1,0.605,1,700,430.418,4.765,5,0.386,0.79,1.0,0.8063360975944075,0.6120125419779316,0.8823675553423344,0.8241981358371598,0.7812285826879583
EOS-3-23279,Fc1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1-c1cncnc1,POWMYDWSEKBGPW-UHFFFAOYSA-N,3,1,0.588,88,494,448.408,4.287,5,0.386,0.71,1.0,0.9746247686930299,0.9744277294222465,0.945068878075526,0.9402628332533753,0.9585960523610445
EOS-3-23280,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)n(C)n1,JFXXBIZQLJWXAP-UHFFFAOYSA-N,3,1,0.303,98,63,447.466,2.809,6,0.401,0.62,1.0,0.07900418065931053,0.055727845932424094,0.06276129120690836,0.0777105750119937,0.06880097320265917
EOS-3-23281,CC(C)(O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cn1,GADGLDWYCNOFBB-UHFFFAOYSA-N,3,1,0.524,90,555,414.828,3.18,4,0.501,0.74,1.0,0.8598536769241313,0.8009046672606401,0.8448101569460627,0.680188129668974,0.796439157699952
EOS-3-23282,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)n1,UQRVWICTZIUIGR-UHFFFAOYSA-N,3,1,0.276,10,957,452.869,3.544,6,0.373,0.67,0.771,0.017236652731135633,0.10717222945651429,0.25860975944075115,0.3690288534027825,0.18801187375779588
EOS-3-23283,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnc(-c4ccncc4)s3)n12,VFMNLBGUKYICPB-UHFFFAOYSA-N,3,1,0.561,34,10,439.863,4.076,5,0.407,0.72,1.0,0.614634020971832,0.8421287094784456,0.4464053183469262,0.5703258858200261,0.6183734836543074
EOS-3-23284,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nn1,WLEQMDZUKCTNKP-UHFFFAOYSA-N,3,1,0.316,99,584,438.415,1.954,6,0.423,0.61,0.999,0.3688746487560825,0.2733106024261531,0.04945685696662326,0.03546706874100473,0.1817772942224659
EOS-3-23285,Cc1cc(-n2cc(-c3cncc4nnc(-c5cccc(-c6cncc(=O)[nH]6)c5)n34)cn2)ccn1,GFOGZWRIWXGZMB-UHFFFAOYSA-N,3,1,0.262,42,150,447.462,3.098,6,0.441,0.63,1.0,0.03234870810773765,0.04107840449592214,0.45376430676444385,0.41645534918785554,0.2359116921389898
EOS-3-23286,Cc1nc(-c2cnc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)c(F)c2)cs1,FJQADZSTHGOWAU-UHFFFAOYSA-N,3,1,0.43,31,460,450.503,3.421,5,0.391,0.68,0.997,0.31906654787197586,0.34331951202796246,0.10122678363374683,0.08126584881091084,0.21121967308614897
EOS-3-23287,Cc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)cn3)n12,HXRXEHNLIJDWNR-UHFFFAOYSA-N,3,1,0.512,11,529,426.455,4.317,5,0.402,0.77,1.0,0.7840363922966213,0.8087776711671578,0.7245819340689467,0.6916506750736755,0.7522616681516003
EOS-3-23289,Fc1ccc(Cl)cc1-c1nnc2cncc(OCc3cnc(C(F)(F)F)c(F)c3)n12,HSVVXLRHWVKGIB-UHFFFAOYSA-N,3,1,0.525,23,255,441.747,4.716,4,0.429,0.72,1.0,0.9436724693304092,0.942053320540059,0.9949626482077993,0.9921269960934823,0.9682038585429373
EOS-3-23290,Clc1cncc(COc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)ccn4)n23)c1,DJFNOUHXZCMEOE-UHFFFAOYSA-N,3,1,0.416,46,160,450.289,4.529,5,0.364,0.76,1.0,0.6146425878966486,0.5833561784661778,0.7866064697416215,0.8383421287094784,0.7057368412034816
EOS-3-23291,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)o1,XLWOWFBJNVESKN-UHFFFAOYSA-N,3,1,0.534,75,496,433.859,3.82,5,0.398,0.68,1.0,0.6946405318346927,0.6213761908025495,0.3693629634706326,0.36596189431841547,0.5128353951065725
EOS-3-23292,Fc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ncc(F)cn5)nc4)n23)nc1,OHQYPDYNJYHNDO-UHFFFAOYSA-N,3,1,0.488,18,263,432.394,2.938,5,0.403,0.6,1.0,0.8221249400315263,0.7318381193886643,0.40282537180453704,0.41335412240422176,0.5925356384072373
EOS-3-23293,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5cccnc5)n34)cn2)ccn1,LYTGABOLMPOUBC-UHFFFAOYSA-N,3,1,0.301,94,723,448.425,3.301,6,0.374,0.64,0.927,0.27656603385648687,0.2989856761017065,0.3918425741895689,0.44823007333287646,0.35390608937015966
EOS-3-23294,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)cn1,HHHMKQWRHRBPLR-UHFFFAOYSA-N,3,1,0.324,38,983,418.424,3.095,6,0.463,0.67,1.0,0.1127578644369817,0.11610753204029882,0.33210540744294426,0.32388972654375986,0.22121513261599618
EOS-3-23295,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-n6ccnn6)n5)n34)cc2F)cn1,CZWRKFGEGDISJB-UHFFFAOYSA-N,3,1,0.505,71,247,468.456,2.886,6,0.367,0.74,1.0,0.26089712836680146,0.3480484545267631,0.4097731478308546,0.3592711260365979,0.3444974641902543
EOS-3-23296,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnn(-c5c(F)cncc5F)c4)n23)nc1,NPZPQSVFDSBQGZ-UHFFFAOYSA-N,3,1,0.4,46,62,449.381,1.723,5,0.413,0.6,1.0,0.3388647111232952,0.1761788088547735,0.3135408813652251,0.2692156123637859,0.27445000342676995
EOS-3-23297,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nn2)cn1,YWNYGXWRMBFJNG-UHFFFAOYSA-N,3,1,0.31,10,705,452.869,3.544,6,0.373,0.66,1.0,0.009989034336234666,0.129874580220684,0.42059317387430606,0.49426872729764926,0.2636813789322185
EOS-3-23298,O=C(O)c1ccc(-c2nnc3cncc(OCc4cnc(OC(F)F)nc4)n23)nc1,GIUZCBQWPOCBRS-UHFFFAOYSA-N,3,1,0.402,68,457,415.316,1.855,4,0.476,0.7,0.996,0.5166626687684189,0.1888407237338085,0.41305428003563843,0.2246847371667466,0.3358106024261531
EOS-3-23299,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccc(F)cn5)n4)n23)cc1Cl,XNGDKFRXJZEUMX-UHFFFAOYSA-N,3,1,0.343,45,140,477.862,4.207,5,0.416,0.76,1.0,0.36657871290521554,0.4326811047906244,0.7400023987389487,0.7612141045850181,0.5751190802549517
EOS-3-23300,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cn1,DZBOXOJCEXPKFE-UHFFFAOYSA-N,3,1,0.436,20,279,448.878,2.53,5,0.369,0.68,1.0,0.4111952573504215,0.45019189911589336,0.030592488520320746,0.047692070454389696,0.23491792886025634
EOS-3-23301,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cccc(F)n1,IFTKGMTZWAHDQZ-UHFFFAOYSA-N,3,1,0.409,53,694,437.826,2.748,5,0.386,0.68,0.999,0.3665872798300322,0.4006493729011034,0.23382564594613117,0.29292886025632237,0.32349778973339727
EOS-3-23302,COc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)nc5)c4)n23)c1,WEDHEWWFTBSYLN-UHFFFAOYSA-N,3,1,0.511,87,419,443.442,3.413,5,0.353,0.71,1.0,0.7551487218148174,0.727177712288397,0.5922315125762456,0.47899390034953054,0.6383879617572475
EOS-3-23303,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)ccc2F)n1,IGCFBNIYQPWVEZ-UHFFFAOYSA-N,3,1,0.753,91,70,449.877,4.001,5,0.389,0.69,1.0,0.9083424713864711,0.9269840997875403,0.6717154410252896,0.7084332807895278,0.8038688232472072
EOS-3-23304,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)c1,HHJAOSCXJKYRPS-UHFFFAOYSA-N,3,1,0.558,35,619,449.877,4.001,5,0.389,0.69,1.0,0.9069289287917209,0.8551247344253307,0.7400109656637653,0.7405506819272154,0.8106538277020081
EOS-3-23305,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ocnc5-c5ccccc5)n34)cc2)n1,RJVWZKQODCPHIT-UHFFFAOYSA-N,3,1,0.368,69,220,421.42,4.472,6,0.41,0.81,1.0,0.19003152628332534,0.12302104036734973,0.2918065931053389,0.3021040367349736,0.22674079912274692
EOS-3-23306,Cc1nc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5ccncc5)n34)n2)no1,RPKCDLYDSWWKQK-UHFFFAOYSA-N,3,1,0.295,94,557,434.423,3.064,6,0.407,0.63,0.998,0.07671681173326023,0.08490679185799466,0.08453841409087794,0.09813412377492975,0.08607403536426564
EOS-3-23307,Cc1cnnc(-c2cnnc(Cc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2F)n1,SWBFEFDCJLMADC-UHFFFAOYSA-N,3,1,0.366,85,391,435.373,2.75,5,0.424,0.57,1.0,0.41796312795558904,0.5357583441847714,0.43550818998012475,0.5409241998492221,0.48253846549242685
EOS-3-23308,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)ccn2)nc1,JSKQAGALQSFNSX-UHFFFAOYSA-N,3,1,0.524,73,665,451.824,4.154,5,0.396,0.68,1.0,0.9051384415050373,0.8699626482077993,0.8188095401274759,0.8476972106092797,0.860401960112398
EOS-3-23309,Cc1ccnc(COc2cncc3nnc(-c4cc(-c5cc(C#N)ccc5C)n(C)n4)n23)n1,VYXNJTSIKZAVNO-UHFFFAOYSA-N,3,1,0.378,95,694,437.467,3.049,5,0.411,0.68,1.0,0.2877201699677884,0.15973888013158796,0.2657802755123021,0.2046038653964773,0.22946079775203893
EOS-3-23310,Cn1c(-c2cncc(F)c2)nnc1-c1cncc2nnc(-c3nncnc3-c3cccc(F)c3)n12,GCYVQFMODOSACA-UHFFFAOYSA-N,3,1,0.3,8,356,469.419,2.779,6,0.383,0.67,0.949,0.09518710163799603,0.2322750325543143,0.14372729764923584,0.30211260365979026,0.19332550887533412
EOS-3-23311,Cc1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cncnc5)n34)nc2)ncn1,SNWMYFMTFHBWAN-UHFFFAOYSA-N,3,1,0.235,86,165,445.45,2.866,6,0.399,0.6,0.996,0.0790127475841272,0.0447364813926393,0.14670858748543622,0.14493523404838599,0.10384826262764717
EOS-3-23312,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)ccn1,FNOWDTZTOZLMCJ-UHFFFAOYSA-N,3,1,0.633,59,294,434.381,4.245,5,0.385,0.75,1.0,0.9290829963676239,0.9363734493866082,0.9438609416763758,0.9342317181824412,0.9358872764032623
EOS-3-23313,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(C#N)cc5F)n34)nc2)n[nH]1,QULBNGYZBBXPDR-UHFFFAOYSA-N,3,1,0.4,46,445,444.405,3.614,5,0.44,0.64,0.986,0.7401823041600987,0.659815982454938,0.8604961962853814,0.8075697347680076,0.7670160544171064
EOS-3-23314,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(C(=O)NC5COC5)cc4)n23)cc1,FWTFVDZZAWHULY-UHFFFAOYSA-N,3,1,0.419,0,862,482.544,2.597,6,0.4,0.81,1.0,0.3142005345761086,0.10718079638133096,0.1233465835103831,0.12500856692481666,0.16743412034815983
EOS-3-23315,c1ccc(-n2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)n2)cc1,LRSNQTYJUAQELZ-UHFFFAOYSA-N,3,1,0.281,64,365,417.436,3.496,6,0.433,0.73,0.743,0.0011479679254334863,0.005071619491467343,0.15297957645123705,0.22191762045096292,0.0952791960797752
EOS-3-23316,Cc1c(-c2ccnc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)cnn1C,RFLPBYVQRZLQKJ-UHFFFAOYSA-N,3,1,0.392,18,367,448.437,3.19,5,0.394,0.68,1.0,0.3982077993283531,0.2681618806113358,0.43173017613597425,0.3819392091015009,0.37000976629429105
EOS-3-23317,Cc1nc(COc2cncc3nnc(-c4cncc(-c5cncc(F)c5)c4)n23)ccc1F,CJTIPUQVRPRXFF-UHFFFAOYSA-N,3,1,0.5,2,419,431.406,3.809,5,0.418,0.7,1.0,0.6201853882530327,0.6213847577273662,0.7522445343019669,0.7139846480707285,0.6769498320882736
EOS-3-23319,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)nc(C)n1,GVAFKZOJXLUXEB-UHFFFAOYSA-N,3,1,0.462,16,55,445.433,4.117,5,0.402,0.67,1.0,0.8037060516756905,0.6022291138372969,0.7245905009937633,0.639675142210952,0.6925502021794256
EOS-3-23320,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccnn4C)nc3)n12,IMQROWYWZSPUQD-UHFFFAOYSA-N,3,1,0.315,98,765,464.493,3.058,6,0.382,0.66,1.0,0.16485333424713866,0.04108697142073881,0.23716674662463164,0.16064697416215476,0.15093850661366598
EOS-3-23321,CCc1cc(-c2cc(-c3nnc4cncc(Oc5cc(F)cc(F)c5)n34)ccn2)ccn1,RIQGBIAPWSKVRX-UHFFFAOYSA-N,3,1,0.477,13,110,430.418,4.881,5,0.395,0.81,1.0,0.7222174628195462,0.7039956137344938,0.8335703515865944,0.8011959427044069,0.7652448427112604
EOS-3-23322,Cc1cncc(-c2ncc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)s2)n1,BHLOABYDKXUQMN-UHFFFAOYSA-N,3,1,0.547,89,731,444.48,2.691,5,0.422,0.6,0.999,0.44798163251319306,0.19325269001439244,0.09385922829141251,0.04919128229730656,0.19607120827907612
EOS-3-23323,Cn1c(C#N)ccc1-c1ccc(-c2cncc3nnc(-c4cnc(C(C)(C)O)cc4F)n23)cc1,YXFBABXYZIZEHT-UHFFFAOYSA-N,3,1,0.31,96,336,453.481,4.097,5,0.439,0.68,0.995,0.3505071619491467,0.47214892742101294,0.8987732163662532,0.7830597628675211,0.6261222671509834
EOS-3-23324,CCn1c(-c2cncnc2)nnc1-c1cncc2nnc(-c3nncnc3-c3ccc(F)cc3)n12,MAFYCVQNYYMYGS-UHFFFAOYSA-N,3,1,0.289,99,356,466.444,2.518,6,0.372,0.67,0.931,0.07098553903090947,0.1932612569392091,0.033136865190871084,0.09402199986292921,0.09785141525597972
EOS-3-23325,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)n1,XRDGDUZMTXGLHF-UHFFFAOYSA-N,3,1,0.474,58,954,428.431,3.107,5,0.38,0.71,1.0,0.7314012062230142,0.8051281611952573,0.24792680419436638,0.21347919950654512,0.49948384277979574
EOS-3-23326,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)c(F)c5)n34)c2)nn1,GROJZTZZWLRAPI-UHFFFAOYSA-N,3,1,0.31,86,596,451.429,2.64,6,0.398,0.61,1.0,0.1052018367486807,0.16751764786512233,0.3429082996367624,0.36903742032759923,0.24616630114454116
EOS-3-23327,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnnn4-c4ccccc4)n23)cn1,OFSYEYDACQEEFX-UHFFFAOYSA-N,3,1,0.308,10,952,421.428,2.23,6,0.425,0.66,0.989,0.025135357412103352,0.03147488177643753,0.06667637584812555,0.09403056678774586,0.05432929545610307
EOS-3-23328,Cc1cc(OCc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)ccc1Cl,LYHPLQJUVGCUSO-UHFFFAOYSA-N,3,1,0.424,14,18,430.899,4.733,5,0.403,0.79,1.0,0.42508224247824,0.43268967171544104,0.8073469947227743,0.7736018778699199,0.6096801966965938
EOS-3-23329,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)nn1,XGYGZWWCBMZADZ-UHFFFAOYSA-N,3,1,0.366,67,622,448.45,3.529,6,0.42,0.6,1.0,0.4363134809128915,0.37187307244191625,0.2990199438009732,0.2246933040915633,0.3329749503118361
EOS-3-23330,Cc1nnc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)c2)s1,FSBVZDNLWVZPOK-UHFFFAOYSA-N,3,1,0.461,53,785,421.421,2.521,5,0.422,0.67,0.995,0.3596994722774313,0.3622781166472483,0.09161469398944555,0.10861147282571448,0.2305509389349599
EOS-3-23331,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)nc(C)n2)cn1,BZADUPALRDXAMO-UHFFFAOYSA-N,3,1,0.436,44,500,461.888,4.632,5,0.376,0.77,1.0,0.7494345829621,0.6938695086011926,0.7064628880816942,0.6832893564526078,0.7082640840243986
EOS-3-23332,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)cc1F,OZEHVJXUOZXDNS-UHFFFAOYSA-N,3,1,0.478,16,969,442.389,3.372,5,0.381,0.68,1.0,0.9003495305325201,0.8986704132684532,0.8335789185114112,0.8034147762319238,0.859003409636077
EOS-3-23333,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cc(C)n2)cn1,VUZYIHGPKFPNIX-UHFFFAOYSA-N,3,1,0.556,75,530,424.468,3.277,5,0.409,0.68,1.0,0.5321773696114043,0.30899184428757454,0.24793537111918307,0.1684600095949558,0.3143911486532794
EOS-3-23334,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cc2)nc1,VZVGEUFWNHJFHP-UHFFFAOYSA-N,3,1,0.43,41,78,458.485,4.806,6,0.363,0.83,1.0,0.4915872798300322,0.3380679871153451,0.5092265780275512,0.4513227331916935,0.4475511445411555
EOS-3-23335,Cc1cccc(Cn2nnc(-c3cncc4nnc(-c5ccc(-c6nc(C)nn6C)cc5)n34)n2)n1,PJBGPOAMHLZCSJ-UHFFFAOYSA-N,3,1,0.308,98,882,464.497,2.3,6,0.377,0.68,0.999,0.08787951476937839,0.04474504831745597,0.011394010006168185,0.008472688643684462,0.03812281543417175
EOS-3-23336,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)nc2C)nc1,FOPAVOYKWDZWFF-UHFFFAOYSA-N,3,1,0.411,31,662,426.484,3.486,5,0.424,0.68,0.998,0.23952265094921527,0.12988314714550064,0.1467171544102529,0.07598862312384347,0.14802789390720308
EOS-3-23337,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,PYGPXYKDIXSLNB-UHFFFAOYSA-N,3,1,0.471,92,36,419.836,2.609,5,0.427,0.69,1.0,0.31149338633404156,0.3861884038105682,0.3282674251250771,0.32086560208347614,0.3367037043382907
EOS-3-23338,CCc1nc(-c2nnc3cncc(OCc4ccsc4)n23)ccc1-c1cc(C)nc(C)n1,TVWWUSHJPPFFBS-UHFFFAOYSA-N,3,1,0.451,31,690,443.536,4.463,5,0.382,0.76,0.993,0.357514906449181,0.18884929065862519,0.13469775889246796,0.08294496607497773,0.19100173051881295
EOS-3-23339,Fc1ccc(COc2cncc3nnc(-c4cnc(F)c(-c5ccnnc5)c4)n23)cc1F,MUWUBHNGVPVQLJ-UHFFFAOYSA-N,3,1,0.62,59,294,435.369,3.64,5,0.389,0.69,1.0,0.8732437804125831,0.8642399424302653,0.9262130765540402,0.9117349736138716,0.8938579432526901
EOS-3-23340,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)c(F)c1,VKJJAOPPVRPFIR-UHFFFAOYSA-N,3,1,0.321,3,581,468.431,3.384,6,0.387,0.68,1.0,0.22584127201699677,0.33807655404016174,0.4393718730724419,0.5574754985950243,0.39019129943115616
EOS-3-23341,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)n4)n23)nc1,LWINJFYOIGDCPJ-UHFFFAOYSA-N,3,1,0.32,76,776,412.388,2.548,5,0.45,0.8,0.986,0.1427249674456857,0.12989171407031733,0.3507127681447468,0.3303663217051607,0.2384239428414776
EOS-3-23342,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ncccc5F)n34)cc(Cl)n2)nn1,DJZGQSVRKKDPKR-UHFFFAOYSA-N,3,1,0.385,46,915,449.837,3.113,5,0.373,0.67,1.0,0.6035312864094304,0.6120211089027483,0.28830272085532177,0.34315674045644573,0.46175296415598654
EOS-3-23343,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5ccccc5F)cn4)n23)cc1,WJYLSLYOPBNFCR-UHFFFAOYSA-N,3,1,0.511,89,637,479.475,3.059,5,0.386,0.78,1.0,0.7127852785963951,0.45476663696799396,0.6582054005894045,0.5006853539853334,0.5816106675347817
EOS-3-23344,c1nc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6ccsc6)n5)n34)cc2)n[nH]1,QPAHGSGIENUKTL-UHFFFAOYSA-N,3,1,0.441,56,425,454.479,3.069,6,0.403,0.66,1.0,0.43867795216229183,0.3815708313343842,0.13790178877390172,0.1354859159756014,0.2734091220615448
EOS-3-23345,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)n1,OXMKCPPDCJYNOE-UHFFFAOYSA-N,3,1,0.272,32,935,445.49,4.019,6,0.404,0.66,0.999,0.0747806867246933,0.05188986361455692,0.29181516003015556,0.257273319169351,0.1689397573846892
EOS-3-23346,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cc4)n23)cn1,DCDBUADBHXAHTH-UHFFFAOYSA-N,3,1,0.282,98,213,447.466,2.809,6,0.401,0.61,1.0,0.064988691659242,0.059574395175107944,0.08938729353711192,0.09017545062024536,0.0760314577479268
EOS-3-23347,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5cnc(C(F)F)cn5)n34)nc2)cn1,UNYMQLVTTPADLN-UHFFFAOYSA-N,3,1,0.333,92,36,421.371,3.107,5,0.426,0.69,1.0,0.3961346035227195,0.34805702145157974,0.5667192104722089,0.42288054280035636,0.43344784456171614
EOS-3-23348,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)ccc5O)nn4)n23)cn1,SBTAHZMUWLWTRP-UHFFFAOYSA-N,3,1,0.271,99,259,455.417,2.074,6,0.423,0.62,0.803,0.06893804399972586,0.237338085120965,0.1654787197587554,0.20732814748817766,0.16977074909190598
EOS-3-23349,CNC(=O)c1ccc(-c2nnc3cncc(COc4ccnc(C(F)F)n4)n23)cc1,DMBFJUCKGMGLFN-UHFFFAOYSA-N,3,1,0.418,66,12,411.372,2.458,4,0.519,0.7,1.0,0.49400315262833255,0.3480655883763964,0.3992443972311699,0.19565999588787608,0.3592432835309437
EOS-3-23350,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccccc5C)n34)c2)nc1,APRJQCLFBRIBSW-UHFFFAOYSA-N,3,1,0.633,11,309,440.482,4.626,5,0.383,0.78,1.0,0.8395072304845452,0.7757350421492701,0.6438472345966691,0.5798523062161607,0.7097354533616613
EOS-3-23351,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)c(F)c4F)n23)cc1,LUHNSLDEEZJBIZ-UHFFFAOYSA-N,3,1,0.338,9,642,456.416,4.187,6,0.392,0.7,1.0,0.23953121787403195,0.32400109656637655,0.7351278185182647,0.7326862449455144,0.5078365944760469
EOS-3-23352,Fc1cc(COc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)ncc1Cl,NZLSGSLKWGQDLN-UHFFFAOYSA-N,3,1,0.568,4,300,433.834,4.015,5,0.413,0.66,1.0,0.6915735727503255,0.7364214241655815,0.7194760468782126,0.7271348776643136,0.7186514803646084
EOS-3-23353,Clc1cncc(COc2cncc3nnc(-c4cnc(-c5cccs5)nc4)n23)c1,ZWJGETXOWJLWBC-UHFFFAOYSA-N,3,1,0.471,55,346,421.873,3.937,5,0.424,0.73,1.0,0.709846823384278,0.6938780755260092,0.3845606880954013,0.43834384209444177,0.5566573572750325
EOS-3-23354,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccccc4OCC4CC4)n23)n1,UTBUGFKRMRKIPT-UHFFFAOYSA-N,3,1,0.414,52,259,424.468,3.438,6,0.412,0.7,0.948,0.08788808169419506,0.034610376259337945,0.04760640120622302,0.1313395243643342,0.07536109588102255
EOS-3-23355,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)c1,SZKVBIHFFDCRFO-UHFFFAOYSA-N,3,1,0.494,20,846,432.875,3.257,5,0.406,0.63,1.0,0.6285981084230005,0.593096771982729,0.2731478308546364,0.28404495922143785,0.44472191762045093
EOS-3-23356,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1ccccc1F,RBTRCFXOUMOBKI-UHFFFAOYSA-N,3,1,0.452,95,266,450.865,3.396,5,0.391,0.66,0.999,0.4816068124186142,0.4947313412377493,0.3356692481666781,0.4417706120211089,0.43844450346103764
EOS-3-23357,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ocnc4-c4ccccc4)n23)c1,ZBHXUUJUFPMWLT-UHFFFAOYSA-N,3,1,0.325,30,498,436.41,4.104,6,0.406,0.67,0.993,0.1784404770063738,0.2526643136179837,0.35072133506956343,0.49734425330683296,0.3197925947501885
EOS-3-23358,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,GNVDHNVJJCUMLP-UHFFFAOYSA-N,3,1,0.325,32,923,436.41,4.104,6,0.406,0.67,1.0,0.3115019532588582,0.39084881091083545,0.5859433897608115,0.5951528339387293,0.47086174696730865
EOS-3-23359,Cc1ncc(-c2nnc3cncc(OCc4cnnc(-c5ncc(F)cc5F)c4)n23)cn1,IDXXLTCEPBOZHI-UHFFFAOYSA-N,3,1,0.419,51,48,433.382,2.599,5,0.412,0.61,0.998,0.7253272565279967,0.597714344458913,0.39561202110890276,0.3722842848331163,0.5227344767322322
EOS-3-23360,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncccc5F)n34)on2)cc1F,XJUVOSGBKPNSMS-UHFFFAOYSA-N,3,1,0.506,59,71,424.342,3.838,5,0.423,0.73,1.0,0.5664622027277089,0.5497995339592899,0.8384706325817285,0.8513124528819135,0.7015112055376601
EOS-3-23362,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)c(F)c(C)n1,HDJSZNDAKFLCQJ-UHFFFAOYSA-N,3,1,0.394,46,267,445.433,4.117,5,0.402,0.68,1.0,0.6489873894866699,0.49473990816256597,0.6747566993352067,0.5979627852785964,0.6041116955657597
EOS-3-23363,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccnc(F)c1,DJDXAKMPUBTHIE-UHFFFAOYSA-N,3,1,0.443,95,235,450.865,3.396,5,0.366,0.7,0.739,0.4667346309368789,0.4237372352820232,0.43938043999725857,0.4942772942224659,0.4560324001096566
EOS-3-23364,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncnn5C)cc4Cl)n23)cn1,HDZYYRWDSJLEHG-UHFFFAOYSA-N,3,1,0.478,92,45,433.863,2.918,5,0.416,0.62,1.0,0.455152148584744,0.5128503872250018,0.2371753135494483,0.23663559728599823,0.36045336166129804
EOS-3-23365,Cc1n[nH]c(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)n1,JYQJRNHYLZMVRE-UHFFFAOYSA-N,3,1,0.291,30,945,431.463,4.009,6,0.449,0.67,0.854,0.10265746007813036,0.1230296072921664,0.2516020149407169,0.2867778082379549,0.19101672263724212
EOS-3-23366,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(F)c(-c4ncccn4)n3)n12,ZINBEMBNNZJHPU-UHFFFAOYSA-N,3,1,0.424,18,699,432.394,2.938,5,0.403,0.62,1.0,0.6857566307998081,0.6400006853539854,0.26941265163456923,0.3208741690082928,0.47901103419916385
EOS-3-23367,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn[nH]c6)nc5)n34)cn2)ccn1,FJTYIGURAOSSMG-UHFFFAOYSA-N,3,1,0.292,42,723,435.426,3.84,6,0.419,0.69,0.988,0.2287625933794805,0.3193578233157426,0.6662240422178055,0.6567404564457542,0.4677712288396957
EOS-3-23368,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)nc1,KGXJQONPSZSHCR-UHFFFAOYSA-N,3,1,0.524,73,665,451.824,4.154,5,0.396,0.69,1.0,0.9051470084298541,0.8669213898978823,0.8207199643615928,0.8460095264203962,0.8596994722774313
EOS-3-23370,Fc1cc(-c2nnc3cncc(-c4ccnc(-c5nnco5)c4)n23)ccc1-c1cccnc1,HPTRQKXAGNVVLL-UHFFFAOYSA-N,3,1,0.341,42,174,436.41,4.104,6,0.406,0.66,1.0,0.30626756219587414,0.36228668357206495,0.6468713590569529,0.6683572064971558,0.495945702830512
EOS-3-23371,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nc4)n23)cn1,BKQHZSYYUJCLEG-UHFFFAOYSA-N,3,1,0.523,55,69,432.394,3.555,5,0.401,0.66,1.0,0.7494431498869166,0.6355030498252348,0.7707405249811528,0.6455349187855527,0.7003054108697142
EOS-3-23372,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5cnccn5)s4)n23)cc1F,QWDHDOCZAWXSOM-UHFFFAOYSA-N,3,1,0.453,89,788,463.458,2.178,5,0.402,0.62,1.0,0.4067918579946542,0.3527773970255637,0.07964670002056062,0.06318963744774175,0.2256013981221301
EOS-3-23373,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(CO)nn4)n23)cc1Cl,MRXLLYREBHFMGW-UHFFFAOYSA-N,3,1,0.506,36,534,448.874,2.707,5,0.421,0.65,1.0,0.5719621684600096,0.5833647453909945,0.34291686656157905,0.3368429168665616,0.45877167431978616
EOS-3-23374,Cc1nc(COc2cncc3nnc(-c4cncnc4)n23)cc(-c2cnc(Cl)nn2)n1,XUUFBTBRMNUSDV-UHFFFAOYSA-N,3,1,0.43,7,435,433.823,1.764,5,0.4,0.6,0.999,0.42742101295319035,0.4811184977040642,0.055145295044890685,0.06023404838599136,0.25597971352203414
EOS-3-23375,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)c(F)c1,LLHUZFRLUMLKBJ-UHFFFAOYSA-N,3,1,0.441,36,662,432.463,3.435,5,0.409,0.68,1.0,0.41562435748063875,0.437255842642725,0.2586183263655678,0.18489137139332465,0.3240974744705641
EOS-3-23376,Cc1nnc(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(F)c(C)c5)n34)nc2)o1,JDWTXOYCIGPUSK-UHFFFAOYSA-N,3,1,0.337,74,768,415.388,3.223,5,0.411,0.79,1.0,0.35051572887396343,0.405224110753204,0.26225070248783494,0.25728188609416763,0.3188181070522925
EOS-3-23377,Cn1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cn2)cn1,NOQUIBMJWVBZCH-UHFFFAOYSA-N,3,1,0.289,70,151,440.402,2.838,6,0.407,0.58,1.0,0.1755105887190734,0.19326982386402577,0.3507299019943801,0.3463436364882462,0.26646348776643136
EOS-3-23378,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5cc(F)ccn5)c4)n23)c1,AUDWIDVJTFUYRG-UHFFFAOYSA-N,3,1,0.542,75,583,431.406,3.543,5,0.406,0.65,1.0,0.8462836680145295,0.7086217531354945,0.6880011651017751,0.6916592419984923,0.7336414570625729
EOS-3-23379,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(C#N)c(C)n5)s4)n23)cn1,RCHFAMQZYMOKAU-UHFFFAOYSA-N,3,1,0.529,7,85,441.48,3.167,5,0.404,0.68,1.0,0.5066736344321843,0.48112706462888083,0.09611232951819615,0.07771914193681036,0.29040804262901787
EOS-3-23380,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)ncn2)nn1,JRIBMXIXMKGWKP-UHFFFAOYSA-N,3,1,0.376,31,194,446.862,2.412,5,0.383,0.63,0.255,0.5166712356932356,0.4853162908642314,0.0845469810156946,0.09814269069974642,0.296169299568227
EOS-3-23381,Cc1ccc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n(C)n2)nn1,ITOWIHYHRSVMRU-UHFFFAOYSA-N,3,1,0.312,99,502,452.442,2.263,6,0.412,0.67,1.0,0.2932972380234391,0.24784970187101638,0.055153861969707355,0.03335103831128778,0.15741296004386268
EOS-3-23382,Fc1cc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)n2)ccn1,OGSXGKXBDPXXBP-UHFFFAOYSA-N,3,1,0.364,30,203,446.449,4.511,6,0.368,0.76,1.0,0.2765746007813035,0.35278596395038037,0.5667277773970255,0.6009183743403468,0.44925167911726405
EOS-3-23383,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5nnc(C)s5)cc4F)n23)cc1F,LXWBFKOPHPPJBS-UHFFFAOYSA-N,3,1,0.379,14,81,478.488,3.242,5,0.413,0.7,1.0,0.23691830580494824,0.2427609485299157,0.26225926941265165,0.2396511548214653,0.2453974196422452
EOS-3-23384,Cc1nc(-c2cc[nH]n2)cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)n1,ZTWDNCKVDLKREW-UHFFFAOYSA-N,3,1,0.404,31,330,433.863,2.95,5,0.434,0.62,0.658,0.5861832636556782,0.5540487286683572,0.184908505242958,0.2219261873757796,0.38676667123569325
EOS-3-23385,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)cn1,UKNARGJCEAYDER-UHFFFAOYSA-N,3,1,0.267,70,813,434.467,3.049,6,0.42,0.61,1.0,0.04071002672880543,0.017810636693852376,0.21249400315262834,0.17381433760537318,0.11120725104516484
EOS-3-23386,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncc(-c5cncnn5)cn4)n23)cc1,DSWDMSHUHJROTJ-UHFFFAOYSA-N,3,1,0.276,99,880,432.411,1.952,6,0.402,0.6,1.0,0.05441710643547392,0.016217188677952164,0.04602152011513947,0.08467548488794463,0.050332825029127545
EOS-3-23387,Cn1nc(-c2ncccn2)cc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,IZFZHHFAAQOKJO-UHFFFAOYSA-N,3,1,0.398,31,569,451.853,2.791,5,0.387,0.64,0.992,0.39614317044753616,0.34807415530121305,0.1687512850387225,0.23664416421081488,0.28740319374957163
EOS-3-23388,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)nc5)n34)nc2)cn1,URSDCYKSWPEUNH-UHFFFAOYSA-N,3,1,0.296,70,968,422.412,2.699,6,0.421,0.63,1.0,0.09758584058666302,0.06360941676375848,0.21934754300596257,0.19314131999177575,0.14342103008703996
EOS-3-23389,COc1cc(C#N)ccc1-c1nnc2cncc(-c3cccc(-c4ncc(F)cn4)n3)n12,CVHUZOFPIDLNSO-UHFFFAOYSA-N,3,1,0.368,74,155,424.399,3.33,5,0.431,0.65,0.998,0.48915427318209853,0.4947484750873826,0.5795781646220273,0.5310551024604208,0.5236340038379823
EOS-3-23390,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nnn(C)n5)cn4)n23)cn1,SQUGZVWJWQVFLS-UHFFFAOYSA-N,3,1,0.333,50,918,414.393,0.193,5,0.431,0.74,1.0,0.10999931464601467,0.055736412857240764,0.005911178123500788,0.0013107394969501748,0.0432394112809266
EOS-3-23391,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncccn5)cnn4)n23)cn1,XCKFRYCUHYUHLO-UHFFFAOYSA-N,3,1,0.442,92,986,454.454,1.714,5,0.373,0.64,1.0,0.31420910150092524,0.16368823247207182,0.029573024467137277,0.008866767185251182,0.12908428140634637
EOS-3-23392,Fc1ccc(Cl)nc1CCOc1cncc2nnc(-c3cccc(-c4cnccn4)c3)n12,JTGRAJMFXXWEIB-UHFFFAOYSA-N,3,1,0.5,11,846,447.861,4.057,5,0.362,0.73,1.0,0.8810739496950175,0.8833184839969844,0.6229696388184497,0.6654444520594888,0.7632016311424851
EOS-3-23393,Cn1ncc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,KJYJESNCKIUSNT-UHFFFAOYSA-N,3,1,0.623,43,372,452.305,4.473,5,0.391,0.73,1.0,0.8533085463641971,0.9078969912960044,0.7994911246658899,0.8460180933452128,0.851678688917826
EOS-3-23394,Clc1cc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)ccn1,MBLNSLLWNBHGLB-UHFFFAOYSA-N,3,1,0.471,18,87,430.859,3.313,5,0.378,0.66,1.0,0.5920259063806456,0.5977229113837297,0.4710266602700295,0.5144267013912686,0.5438005448564183
EOS-3-23395,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,AFRUWYQRIGQDLW-UHFFFAOYSA-N,3,1,0.439,11,367,454.881,3.79,5,0.356,0.71,1.0,0.697621821670893,0.7544376670550339,0.5890360496196285,0.6039424988006306,0.6612595092865465
EOS-3-23396,Cc1noc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)n2)n1,IRBUARBJIRFOGV-UHFFFAOYSA-N,3,1,0.315,86,812,424.384,2.657,6,0.411,0.65,1.0,0.2312384346514975,0.14078884243711878,0.044316702076622576,0.04366561579055582,0.11500239873894867
EOS-3-23397,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnco5)cc4)n23)cc1,HXJGWXPCZQIBCN-UHFFFAOYSA-N,3,1,0.418,62,319,410.437,3.397,5,0.477,0.82,1.0,0.3142176684257419,0.10372832568021383,0.512713316427935,0.37884654924268385,0.32737646494414363
EOS-3-23398,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6cccn6)n5)n34)cn2)n1,YUSXZYOSHUFUIZ-UHFFFAOYSA-N,3,1,0.31,76,368,435.426,3.635,6,0.39,0.66,0.985,0.027594064834487012,0.12303817421698307,0.4028339387293537,0.42598176958399014,0.24486198684120347
EOS-3-23399,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cc5)n34)nc2)nc1,ZAMVWJQVUCKSDP-UHFFFAOYSA-N,3,1,0.245,42,339,417.436,3.7,6,0.466,0.76,1.0,0.07293023096429306,0.06361798368857514,0.3619782742786649,0.372292851757933,0.21770483517236652
EOS-3-23400,Cn1ccnc1-c1cnc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1Cl,SFHODXFTTHDRII-UHFFFAOYSA-N,3,1,0.404,65,795,433.863,2.652,5,0.402,0.6,1.0,0.5349016517031047,0.4947570420121993,0.09870810773764649,0.12701322733191694,0.31384500719621683
EOS-3-23401,CCc1c(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)c(-c2ccc(F)cc2F)nn1C,UYAKXCVQTQUKTJ-UHFFFAOYSA-N,3,1,0.373,62,124,473.487,4.059,5,0.416,0.73,1.0,0.13734493866081832,0.2989942430265232,0.44641388527174286,0.4164639161126722,0.32480424576793915
EOS-3-23402,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)nn2)cn1,QXTHFDGPTHNSDI-UHFFFAOYSA-N,3,1,0.264,70,944,436.464,3.224,6,0.41,0.63,0.99,0.03921938181070523,0.10042149270098005,0.14672572133506956,0.1764443835240902,0.11570274484271126
EOS-3-23403,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ccnc(F)c1,VNAATMYIYTZGSV-UHFFFAOYSA-N,3,1,0.4,49,160,447.405,3.509,5,0.365,0.69,0.989,0.7697638955520526,0.5782160235761771,0.6772925090809403,0.5858919882119115,0.6527911041052703
EOS-3-23404,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cn5)n34)c2)nn1,NHUBUYJOMLCLFZ-UHFFFAOYSA-N,3,1,0.388,6,843,464.493,2.961,6,0.37,0.7,1.0,0.27399595641148655,0.15211431704475362,0.21935610993077925,0.16846857651977246,0.20348373997669797
EOS-3-23405,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cn4)n23)nn1,YPUSZYKQDNDTMN-UHFFFAOYSA-N,3,1,0.273,70,813,438.48,3.167,6,0.412,0.62,0.95,0.02760263175930368,0.06728462751010897,0.13470632581728462,0.14494380097320267,0.09363434651497499
EOS-3-23406,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)nc1,KDYACVVHUDGIJU-UHFFFAOYSA-N,3,1,0.517,75,420,430.859,3.579,5,0.39,0.69,1.0,0.5246641765471867,0.5592231512576246,0.31354944829004183,0.3177900760742924,0.42880671304228635
EOS-3-23407,COc1cc(-c2nnc3cncc(OCCc4ccnc(C)n4)n23)ccc1-c1cnco1,UPIWRLRYMKZXNX-UHFFFAOYSA-N,3,1,0.517,15,103,429.44,3.175,5,0.385,0.68,1.0,0.5297700637379207,0.22232883284216298,0.25862689329038446,0.14245082585155233,0.28829415393050506
EOS-3-23408,Cc1ncc(-c2cc(COc3cncc4nnc(-c5nccn5C)n34)nc(Cl)n2)o1,CLHXUQGTPOUKIW-UHFFFAOYSA-N,3,1,0.409,7,185,423.824,2.511,5,0.392,0.73,1.0,0.34127201699677884,0.3380851209649784,0.05685868000822425,0.04770063737920636,0.19597911383729696
EOS-3-23409,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(F)cn5)n4)n23)cc1,FHWLCXWMXWIUJZ-UHFFFAOYSA-N,3,1,0.325,98,882,451.429,2.64,6,0.398,0.57,1.0,0.190040093208142,0.23734665204578165,0.17531354944829003,0.22193475430059625,0.20615876225070248
EOS-3-23410,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)nc5)ncn4)n23)cn1,BUSSYWIFOTYBOD-UHFFFAOYSA-N,3,1,0.462,4,205,421.424,2.797,5,0.421,0.68,1.0,0.5579038448358578,0.5682269892399424,0.4355167569049414,0.32718799259817694,0.47220889589472964
EOS-3-23411,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cc(-c4cnccn4)ccn3)n12,KLVZALAVPPGZTA-UHFFFAOYSA-N,3,1,0.4,18,564,434.822,3.41,5,0.414,0.61,1.0,0.7127938455212117,0.6257367555342335,0.6662326091426222,0.6772239736824069,0.6704967959701186
EOS-3-23412,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4c(-c5cncnc5)nn5ccccc45)n23)cc1,JACZPZSSPFTMOA-UHFFFAOYSA-N,3,1,0.296,42,725,471.488,3.359,7,0.384,0.71,1.0,0.08546364197107806,0.06729319443492564,0.2089387293537112,0.2543862655061339,0.15402045781646218
EOS-3-23413,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccc2F)cn1,SIAILYNMUBCLIF-UHFFFAOYSA-N,3,1,0.716,59,13,448.408,4.553,5,0.393,0.75,1.0,0.9831745596600644,0.968096771982729,0.9491638681378932,0.9324240970461243,0.9582148242067027
EOS-3-23414,Cc1cnc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cc(F)ccn5)n4)n23)nc1,VLIVLCHBJLPDBO-UHFFFAOYSA-N,3,1,0.404,18,262,446.421,3.246,5,0.392,0.62,0.887,0.6857651977246247,0.5448307175656226,0.2918237269549722,0.32088273593310945,0.4608255945445822
EOS-3-23415,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4cc(F)ccn4)nc3)n12,XDIWFPANPDPUHD-UHFFFAOYSA-N,3,1,0.522,58,981,430.447,3.051,5,0.408,0.68,1.0,0.45051744225892676,0.4767750668220136,0.2586354602152012,0.23665273113563157,0.35564517510794325
EOS-3-23416,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)c(F)c1,KDLIOSJHYRGZKN-UHFFFAOYSA-N,3,1,0.553,37,619,433.422,3.487,5,0.408,0.67,1.0,0.7578473031320677,0.640009252278802,0.7450568843807827,0.7084418477143445,0.7128388218764993
EOS-3-23417,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccc2Cl)n1C,DKFKTYGFSRUGDO-UHFFFAOYSA-N,3,1,0.467,36,404,468.308,3.571,5,0.385,0.73,1.0,0.4068004249194709,0.6501353574121034,0.23383421287094786,0.32719655952299365,0.40449163868137894
EOS-3-23418,Fc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccon6)cn5)n34)cn2)s1,MYJDJKBSYJAPGJ-UHFFFAOYSA-N,3,1,0.312,70,687,443.427,3.561,6,0.402,0.64,1.0,0.13982077993283532,0.2733191693509698,0.20547769172777738,0.23965972174628195,0.2145693406894661
EOS-3-23419,CCCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)s1,PLCUAZKBCPJKQE-UHFFFAOYSA-N,3,1,0.512,58,981,444.524,3.674,5,0.357,0.74,1.0,0.43172160921115754,0.4458913028579261,0.029581591391953946,0.03437050236447125,0.2353912514563772
EOS-3-23420,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5ccc(F)c(-c6ccncc6)n5)n34)cn2)nn1,VHAQXYCLPHBTFS-UHFFFAOYSA-N,3,1,0.3,76,72,466.415,3.441,6,0.385,0.65,0.851,0.2849787540264547,0.3285072990199438,0.4317387430607909,0.48819477760263175,0.3833548934274553
EOS-3-23421,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4F)n23)ccn1,RFSJJTCGGCCJAU-UHFFFAOYSA-N,3,1,0.583,35,202,431.406,3.543,5,0.38,0.7,1.0,0.9037420327599205,0.9301538619697074,0.8095058597765746,0.787600233020355,0.8577504968816393
EOS-3-23422,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncn6)cn5)n34)cc2)c1,AEVJKVFDUNSXIS-UHFFFAOYSA-N,3,1,0.29,38,479,442.486,4.681,6,0.391,0.75,1.0,0.17551915564389006,0.1332756493729011,0.6080460557878145,0.5638150229593585,0.370163970940991
EOS-3-23423,Cc1cccc(-c2cncc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)c2)n1,ZVYWCSWPMNFYGT-UHFFFAOYSA-N,3,1,0.441,27,69,446.421,3.863,5,0.387,0.69,1.0,0.5116767185251182,0.5128589541498184,0.6376019464053183,0.5006939209101501,0.5407078849976013
EOS-3-23424,Cc1ncncc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)ccn1,VHLZHJUGVJEOQL-UHFFFAOYSA-N,3,1,0.417,46,62,446.421,3.863,5,0.387,0.69,0.999,0.6946490987595093,0.494765608937016,0.7351363854430814,0.619328695771366,0.6359699472277431
EOS-3-23425,CCn1cncc1-c1ccc(F)c(-c2nnc3cncc(Oc4ncccc4Cl)n23)c1,VAVYDZSHRRGKPD-UHFFFAOYSA-N,3,1,0.361,26,412,435.85,4.655,5,0.399,0.78,1.0,0.6342865465012679,0.645038037146186,0.6880097320265918,0.6860650400932081,0.6633498389418134
EOS-3-23426,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)c2)nn1,QTHGNNNINLFKAI-UHFFFAOYSA-N,3,1,0.478,16,772,450.384,3.343,5,0.376,0.66,1.0,0.7551572887396341,0.7179597011856624,0.7587896648619011,0.732694811870331,0.7411503666643822
EOS-3-23427,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)nn1,BLPKECBBUXDYLI-UHFFFAOYSA-N,3,1,0.478,16,772,450.384,3.343,5,0.376,0.66,1.0,0.7551658556644507,0.6938866424508259,0.754540470152834,0.7165804262901789,0.7300433486395723
EOS-3-23428,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)nc1,UADWGOMDAJDUNK-UHFFFAOYSA-N,3,1,0.411,18,116,445.874,3.017,5,0.388,0.63,1.0,0.5920344733054622,0.5884534987320952,0.12882084846823386,0.14736824069631965,0.36416926530052773
EOS-3-23429,COc1cc(-c2nnc3cncc(OCc4nccnc4-c4ccccc4)n23)ccc1Cl,QINGRUTYSVVVDS-UHFFFAOYSA-N,3,1,0.494,1,700,444.882,4.489,5,0.381,0.78,1.0,0.8810825166198342,0.8754283462408334,0.6200311836063327,0.6039510657254472,0.7451232780481118
EOS-3-23430,Cc1nc(-c2cccc(F)c2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,BTESDLMOUANOIN-UHFFFAOYSA-N,3,1,0.511,44,531,461.888,4.366,5,0.347,0.8,1.0,0.8010674388321568,0.7965612363785896,0.605116167500514,0.6511719553149201,0.7134791995065451
EOS-3-23431,Cc1nc(-c2ncncc2-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ncc1F,ATVJLYREJDFIQA-UHFFFAOYSA-N,3,1,0.406,7,606,447.409,2.907,5,0.401,0.63,1.0,0.7253358234528133,0.5931053389075458,0.29532759920498936,0.26017750668220135,0.46848656706188746
EOS-3-23432,Cc1ncnc(C)c1-c1cnc(Cc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,XCSUTKJVKKTGBJ-UHFFFAOYSA-N,3,1,0.309,85,425,461.493,3.031,6,0.411,0.61,1.0,0.1815502707148242,0.12304674114179974,0.11165273113563155,0.08823075868686177,0.12612012541977932
EOS-3-23433,COc1nc(-c2ccc(-c3ncc(F)cn3)cc2)ccc1-c1nnc2cncc(Br)n12,VEYFUNZCEIYBFV-UHFFFAOYSA-N,3,1,0.514,96,856,478.285,4.221,5,0.382,0.81,1.0,0.6064097731478308,0.5357669111095881,0.485016448495648,0.4482386402576931,0.51885794325269
EOS-3-23434,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(C(C)(C)CO)nc5)n34)nc2)n1C,HQZOVJISALPIRX-UHFFFAOYSA-N,3,1,0.289,50,974,442.487,2.017,5,0.434,0.6,0.999,0.07293879788910973,0.08811938866424508,0.023207799328353096,0.007316153793434308,0.04789553491878555
EOS-3-23435,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cc4F)n23)cc1,HIYAJUAWAVQBPZ-UHFFFAOYSA-N,3,1,0.455,62,3,410.412,3.758,5,0.486,0.88,1.0,0.2477640326228497,0.2119971215132616,0.8015129189226236,0.7638270166541018,0.5062752724282091
EOS-3-23436,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnn6)n5)n34)cc2)c[nH]1,PRQOQHZHLMXZHG-UHFFFAOYSA-N,3,1,0.312,38,865,432.451,3.404,6,0.449,0.59,1.0,0.13464635734356795,0.044753615242272636,0.29183229387978893,0.27813378109793707,0.18734151189089165
EOS-3-23437,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nnnn6C)c5)n34)nc2)nn1,IUJGMDDCFYRFFC-UHFFFAOYSA-N,3,1,0.243,99,112,438.419,0.629,6,0.38,0.63,0.934,0.019969501747652663,0.012182167089301624,0.012404907134534987,0.011676718525118224,0.014058323624151874
EOS-3-23438,Fc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncc(Cl)cn5)n4)n23)cn1,BPRLUNSKRVWPOI-UHFFFAOYSA-N,3,1,0.483,73,930,435.81,2.805,5,0.384,0.63,0.994,0.640266260023302,0.7928174902337057,0.25161058186553353,0.31489445548625866,0.4998971969022
EOS-3-23439,OCCc1ncc(COc2cncc3nnc(-c4ccc(-c5ccncc5)c(F)c4)n23)cc1F,FJVBSCOOAGCWEH-UHFFFAOYSA-N,3,1,0.511,97,91,460.444,3.64,5,0.396,0.7,1.0,0.7755037351792201,0.5931139058323625,0.8188181070522925,0.7876087999451716,0.7437611370022617
EOS-3-23440,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cn2)cn1,ZLMWVWURIVDFSM-UHFFFAOYSA-N,3,1,0.595,13,573,432.846,5.142,5,0.391,0.86,1.0,0.8989702556370365,0.8862141045850181,0.8881587965184018,0.8809797135220341,0.8885807175656226
EOS-3-23441,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5nnc(Cl)s5)n4)n23)cc1,ZCIYRGGRHRCVOD-UHFFFAOYSA-N,3,1,0.549,4,32,457.306,3.986,5,0.39,0.7,1.0,0.6314594613117676,0.8385991364539784,0.2516191487903502,0.41647248303748885,0.5345375573983963
EOS-3-23442,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cccnn5)ncc4Cl)n23)c(F)n1,FYNQELCZWQDGJK-UHFFFAOYSA-N,3,1,0.435,55,389,452.812,3.549,5,0.373,0.68,0.999,0.7726252484408197,0.7965698033034062,0.7088958947296279,0.7327033787951477,0.7526985813172503
EOS-3-23443,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)s4)n23)c1,IBHDMMUHEGYPLK-UHFFFAOYSA-N,3,1,0.252,76,972,452.507,3.476,6,0.4,0.65,0.99,0.06499725858405866,0.05958296209992461,0.04603008703995614,0.06832979233774245,0.05973502501542047
EOS-3-23444,CNCc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)co1,PNTZIQVIIHPNJP-UHFFFAOYSA-N,3,1,0.452,55,879,448.874,3.188,5,0.374,0.67,1.0,0.43173017613597425,0.3815793982592009,0.3582088273593311,0.3149030224110753,0.3716053560413954
EOS-3-23445,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)nnc1C,NRQFAHLTSWPCLR-UHFFFAOYSA-N,3,1,0.518,65,393,424.468,3.277,5,0.409,0.69,1.0,0.4865841957370982,0.4006579398259201,0.212502570077445,0.15247412788705367,0.3130547083818792
EOS-3-23446,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(C)n5)n34)cn2)cn1,TUABCTZBGFOBAQ-UHFFFAOYSA-N,3,1,0.494,87,579,424.468,3.277,5,0.409,0.69,1.0,0.5451219930093893,0.4811356315536975,0.17843191008155712,0.1157905558220821,0.3301200226166815
EOS-3-23447,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnsc6)cc5)n34)cn2)cn1,HJFMQTFDCKHXCK-UHFFFAOYSA-N,3,1,0.289,42,150,425.481,3.501,6,0.429,0.68,1.0,0.003452470701117127,0.0314834487012542,0.3956205880337194,0.37544548009046674,0.20150049688163937
EOS-3-23448,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cn5)n34)c2)n1,AAFJUDIOGBOKPB-UHFFFAOYSA-N,3,1,0.255,86,953,452.417,2.035,6,0.39,0.61,0.996,0.08789664861901172,0.17618737577959015,0.07094270440682612,0.11343465149749846,0.11211534507573162
EOS-3-23449,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)c(C#N)c1,GUGKTJFJUFBRTD-UHFFFAOYSA-N,3,1,0.455,20,658,423.44,2.475,5,0.408,0.66,0.992,0.6258309917072168,0.409918785552738,0.3771759989034336,0.314911589335892,0.43195934137482006
EOS-3-23450,FC(F)(F)c1ccc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)nc1,IKHAOVHPSYSZHP-UHFFFAOYSA-N,3,1,0.576,87,419,463.423,4.284,5,0.371,0.77,1.0,0.6857737646494414,0.8087862380919745,0.9463025152491261,0.8905832362415187,0.8328614385580152
EOS-3-23451,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1)N1CCOCC1,WMAMSTXDRUXLTB-UHFFFAOYSA-N,3,1,0.4,82,229,482.479,2.922,6,0.36,0.84,0.998,0.06894661092454253,0.028630662737303816,0.025092522788020013,0.08640600370091152,0.05226895003769447
EOS-3-23452,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,RCUIYGBPYPRFQC-UHFFFAOYSA-N,3,1,0.316,3,289,419.452,3.44,6,0.435,0.69,1.0,0.028810568158453842,0.017819203618669042,0.27724282091700364,0.2959615516414228,0.15495853608388732
EOS-3-23453,COc1ccccc1-n1nnc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)n1,CFWHSBYIETXTKM-UHFFFAOYSA-N,3,1,0.306,39,144,466.44,3.039,6,0.377,0.7,1.0,0.08547220889589473,0.18885785758344184,0.1288294153930505,0.19028853402782536,0.14836200397505311
EOS-3-23454,CCc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)cc4)n23)cn1,JZCJDFRIVVOFNA-UHFFFAOYSA-N,3,1,0.518,20,846,426.484,3.166,5,0.394,0.67,1.0,0.6459375642519362,0.3955177849359194,0.18155883763964087,0.1270217942567336,0.3375089952710575
EOS-3-23455,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncnn6)cn5)n34)cc2)n1C,GFIIYYMGTMHVSK-UHFFFAOYSA-N,3,1,0.284,98,167,435.455,2.538,6,0.415,0.59,1.0,0.027611198684120347,0.023884586388869852,0.18491707216777464,0.15248269481187032,0.09722388801315879
EOS-3-23456,c1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)cc1,APTJXNRVLQMJHC-UHFFFAOYSA-N,3,1,0.394,93,651,428.459,4.372,6,0.411,0.72,1.0,0.14833630320060312,0.14436125008566925,0.5092351449523679,0.5734442464532932,0.3438442361729833
EOS-3-23457,Fc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,SFEFOVCZZRMLPD-UHFFFAOYSA-N,3,1,0.619,19,73,447.861,4.057,5,0.387,0.67,1.0,0.7128024124460284,0.7411675005140155,0.6468799259817696,0.7405592488520321,0.7103522719484614
EOS-3-23458,Clc1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)n1,SZNPUDGNBBTLIE-UHFFFAOYSA-N,3,1,0.317,86,899,454.845,2.334,6,0.39,0.63,0.999,0.010657254471934755,0.15212288396957027,0.05876910424234117,0.12902645466383386,0.08764392433692
EOS-3-23459,c1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)nn2)cc1,YZYGWLITQFAGKY-UHFFFAOYSA-N,3,1,0.303,10,37,418.424,2.891,6,0.429,0.71,0.99,0.004677540949900623,0.008027208553217736,0.1437358645740525,0.20461243232129395,0.0902632615996162
EOS-3-23460,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,GXGCJKGSKIMBLD-UHFFFAOYSA-N,3,1,0.529,27,69,434.41,3.592,5,0.403,0.71,1.0,0.45516071550956066,0.38619697073538484,0.6524227263381537,0.48526488931533135,0.4947613254746076
EOS-3-23461,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)ccn2)c1,LXUAINOVMAFKKN-UHFFFAOYSA-N,3,1,0.488,55,980,436.838,3.353,5,0.417,0.63,1.0,0.7253443903776301,0.6355116167500514,0.6200397505311493,0.6162874374614489,0.64929579878007
EOS-3-23463,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnn6)n5)n34)cc2)nn1,PCUISJJUCLRRRZ-UHFFFAOYSA-N,3,1,0.327,98,865,433.439,2.501,6,0.412,0.6,1.0,0.0392279487355219,0.013441505037351793,0.1719724487697896,0.18223562470015764,0.10171938181070522
EOS-3-23464,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cnc(Cl)cc4F)n23)nc1,MSSRKBCDEDGRML-UHFFFAOYSA-N,3,1,0.308,50,432,448.809,1.992,5,0.407,0.58,0.335,0.21206565691179494,0.25759029538756767,0.21251113700226168,0.28678637516277156,0.24223836611609895
EOS-3-23465,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)cc4)n23)cc1,MHLAOLAGIZOOIP-UHFFFAOYSA-N,3,1,0.351,9,867,465.908,4.364,6,0.381,0.75,1.0,0.2037985744637105,0.2169231032828456,0.46395038037146186,0.5007024878349667,0.3463436364882462
EOS-3-23466,CCOc1ncc(-c2cncc3nnc(-c4ccc(-c5cnnc(F)c5)c(F)c4)n23)cn1,VNSOCYVOFZNICJ-UHFFFAOYSA-N,3,1,0.329,82,478,432.394,3.382,5,0.416,0.65,1.0,0.5166798026180522,0.5540572955931738,0.6109845109999315,0.5604824892056748,0.560551024604208
EOS-3-23467,Cc1nccc(CCOc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)c1F,SQELQIIRUSROKI-UHFFFAOYSA-N,3,1,0.533,11,201,426.455,4.317,5,0.402,0.74,1.0,0.8395157974093619,0.7544462339798506,0.6582139675142211,0.6072750325543143,0.714862757864437
EOS-3-23468,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncnn4-c4cccc(Cl)n4)n23)cc1,BEGSPRKXAOEYSE-UHFFFAOYSA-N,3,1,0.313,8,42,454.885,3.488,6,0.375,0.66,1.0,0.061527654033308204,0.14079740936193544,0.20894729627852787,0.2929374271811391,0.17605244671372766
EOS-3-23469,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)cc4)n23)cn1,RGGMRTKRIIRPGS-UHFFFAOYSA-N,3,1,0.317,39,972,466.896,3.759,6,0.386,0.72,1.0,0.167500514015489,0.2373552189705983,0.2338427797957645,0.35927969296141454,0.2494945514358166
EOS-3-23470,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c(F)c2)n1,MYKCUCZVMHJJAZ-UHFFFAOYSA-N,3,1,0.289,96,315,421.386,4.331,5,0.432,0.75,0.999,0.1592505654170379,0.3090004112123912,0.9236686998834899,0.9036049619628538,0.5738811596189431
EOS-3-23471,c1cncc(-c2ncc(-c3nnc4cncc(-c5nnn(-c6cccs6)n5)n34)cn2)c1,BSGZMIBOGRRDMN-UHFFFAOYSA-N,3,1,0.302,86,780,425.441,2.348,6,0.418,0.65,1.0,0.02638612843533685,0.05189843053937359,0.0202522102666027,0.031209307107120828,0.03243651908710849
EOS-3-23472,Cc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccnc(C)c3F)n12,ZPJAPPJGDDYDAX-UHFFFAOYSA-N,3,1,0.467,24,606,427.443,3.978,5,0.419,0.71,1.0,0.7494517168117333,0.6646734288259887,0.47780309780001373,0.3883644027140018,0.5700731615379344
EOS-3-23473,CCc1nc(-c2nnc3cncc(OCc4ccnc(C#N)c4)n23)ccc1-c1cncn1C,VCBUBBRDIXUKCB-UHFFFAOYSA-N,3,1,0.392,31,690,437.467,2.995,5,0.398,0.64,0.797,0.39821636625316975,0.23736378589541499,0.2918408608046056,0.21046364197107806,0.2844711637310671
EOS-3-23474,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)cc1,NFDFTZFATNYLIQ-UHFFFAOYSA-N,3,1,0.346,32,515,452.478,4.573,6,0.387,0.75,0.999,0.2395397847988486,0.40066650675073673,0.5567216092111575,0.6134946199712151,0.4526056301829895
EOS-3-23475,Fc1cc(-c2cnccn2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,NWZMROABKRKZAQ-UHFFFAOYSA-N,3,1,0.5,37,132,448.849,3.452,5,0.389,0.62,1.0,0.7314097731478308,0.7798985676101706,0.49492838050853266,0.5604910561304914,0.6416819443492563
EOS-3-23476,COc1ccccc1COc1cncc2nnc(-c3cc(-c4cc(C)ccn4)n(C)n3)n12,QPCYHWGUDHBHEN-UHFFFAOYSA-N,3,1,0.4,95,54,427.468,3.483,5,0.41,0.72,0.999,0.17288910972517305,0.05574497978205743,0.3135580152148585,0.19566856281269276,0.18446516688369544
EOS-3-23477,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)c1,WHMQOJVSNQQEJA-UHFFFAOYSA-N,3,1,0.353,10,620,436.414,3.03,6,0.414,0.61,0.997,0.005954012747584127,0.12305530806661641,0.29533616612980607,0.3944554862586526,0.2047002433006648
EOS-3-23478,Cn1nnc(-c2cc(Cc3cncc4nnc(-c5cnc(C(C)(F)F)cn5)n34)ccn2)n1,JJLLKMLDBOIWIQ-UHFFFAOYSA-N,3,1,0.297,85,362,435.402,1.869,5,0.407,0.61,0.987,0.11834349941744911,0.13694229319443493,0.21575800150777877,0.1401977246247687,0.1528103796861079
EOS-3-23479,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)nn5)cnc4C)n23)cc1,QLQDPHGXQRWIFO-UHFFFAOYSA-N,3,1,0.523,89,250,444.886,3.888,5,0.402,0.67,1.0,0.7923548762936057,0.7179682681104791,0.3655249811527654,0.34316530738126244,0.5547533582345282
EOS-3-23480,Cc1nc(-c2cncn2C)cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)n1,CPYFLKKLYOLTHN-UHFFFAOYSA-N,3,1,0.414,31,330,431.435,2.446,5,0.403,0.64,0.956,0.48409978754026456,0.28349667603317114,0.14997258584058668,0.1334298540196011,0.2627497258584059
EOS-3-23481,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3ccc(F)c(C)n3)n12,CJVJTUCRRRIBNU-UHFFFAOYSA-N,3,1,0.447,7,804,446.446,3.017,5,0.392,0.65,0.987,0.46909053526146255,0.40992735247755463,0.20548625865259407,0.11344321842231513,0.29948684120348157
EOS-3-23482,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)ccc1Cl,YPPUSXJOSHEYAO-UHFFFAOYSA-N,3,1,0.58,4,391,439.863,4.076,5,0.407,0.71,1.0,0.5692635871427593,0.7965783702282229,0.7089044616544445,0.7484408196833665,0.7057968096771983
EOS-3-23483,Fc1ccc(Cl)cc1-c1nnc2cncc(OCc3ncc(-c4ccc(Cl)nn4)cn3)n12,AOLIWRXYOCCVGR-UHFFFAOYSA-N,3,1,0.443,73,946,469.267,4.063,5,0.38,0.76,1.0,0.7005260091837434,0.8281560551024604,0.6636282639983552,0.7560482489205674,0.7370896443012817
EOS-3-23484,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(F)c2)nn1,GLFNKVODYHRITO-UHFFFAOYSA-N,3,1,0.506,73,10,454.828,3.492,5,0.401,0.66,1.0,0.4940117195531492,0.7179768350352957,0.6934668631348091,0.7405678157768487,0.6615058083750257
EOS-3-23485,Cc1ncc(Cc2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)n1,LKFNVJFQLRGUAE-UHFFFAOYSA-N,3,1,0.257,76,387,461.493,2.733,6,0.381,0.67,1.0,0.07902131450894387,0.059591529024741276,0.04761496813103968,0.0664793365773422,0.06317678706051676
EOS-3-23486,Fc1cc(-c2ccccn2)cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,OJRYVMCRBIQVLX-UHFFFAOYSA-N,3,1,0.622,1,31,432.846,4.62,5,0.377,0.77,1.0,0.5891302857926118,0.6892262353505586,0.8116647248303749,0.8383506956342951,0.7320929854019601
EOS-3-23487,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)n1,MLXMZVYXMVZZNH-UHFFFAOYSA-N,3,1,0.398,51,379,438.814,2.143,5,0.38,0.67,1.0,0.5092351449523679,0.5635665821396751,0.12883798231786717,0.152491261736687,0.3385327427866493
EOS-3-23488,N#Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)o2)nc1,MRZCAKXQUKADNN-UHFFFAOYSA-N,3,1,0.309,76,368,449.459,3.898,6,0.393,0.69,1.0,0.13211054759783428,0.24785826879583306,0.3393358919882119,0.3431738743060791,0.2656196456719896
EOS-3-23489,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)c4)n23)nc1,LBIXWCFUDXBDNG-UHFFFAOYSA-N,3,1,0.268,64,495,419.412,2.49,6,0.457,0.64,1.0,0.05630182989514084,0.1037368926050305,0.09612089644301282,0.14495236789801932,0.10027799671030088
EOS-3-23490,Cc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cn3)n12,AJWKCCJAHWFPMB-UHFFFAOYSA-N,3,1,0.245,99,765,447.466,2.809,6,0.401,0.6,1.0,0.07902988143376054,0.021554382838736206,0.1913936673291755,0.187512850387225,0.11987269549722432
EOS-3-23491,CCn1c(Cc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nnc1-c1cncnn1,MVEKLVYXUAKFEO-UHFFFAOYSA-N,3,1,0.347,36,784,453.297,3.152,5,0.399,0.65,1.0,0.26887293537111917,0.36722123226646564,0.06276985813172503,0.2482694811870331,0.23678337673908575
EOS-3-23492,Clc1cnc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)nc1,XXCOXYPSRUDVQA-UHFFFAOYSA-N,3,1,0.305,86,249,454.845,2.334,6,0.39,0.62,1.0,0.00692207525186759,0.10718936330614763,0.06472311698992529,0.12501713384963334,0.07596292234939347
EOS-3-23493,Clc1nccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)n1,ZZSKWRQMXCVJAH-UHFFFAOYSA-N,3,1,0.608,84,73,429.871,3.918,5,0.378,0.71,1.0,0.7433777671167158,0.7500085669248167,0.5330426290178878,0.5507161949146734,0.6442862894935233
EOS-3-23494,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4)n23)cc1,MWZMDXJYDXGCPO-UHFFFAOYSA-N,3,1,0.392,9,98,448.465,4.455,6,0.396,0.7,1.0,0.17552772256870675,0.27832225344390377,0.5700003426769926,0.6221300801864162,0.41149509971900483
EOS-3-23495,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c2Cl)cn1,HQZRQHHDQWAWPR-UHFFFAOYSA-N,3,1,0.33,82,336,470.924,3.799,6,0.419,0.68,1.0,0.14273353437050237,0.21200568843807827,0.255105887190734,0.3690459872524159,0.24472277431293263
EOS-3-23496,FC(F)n1cc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cn1,SYIUSNZYAFWVQQ-UHFFFAOYSA-N,3,1,0.308,86,312,459.384,1.878,6,0.375,0.65,0.573,0.0004797477897333973,0.06362655061339181,0.20174251250771022,0.20462099924611063,0.11761745253923653
EOS-3-23497,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)nn1,RZHADFVOMMURPU-UHFFFAOYSA-N,3,1,0.398,53,395,436.888,3.641,5,0.411,0.66,0.949,0.49655609622369956,0.48995099719004864,0.23015043519978068,0.2572904530189843,0.3684869954081283
EOS-3-23498,CC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)cn1,ASXYIXKBBANRMR-UHFFFAOYSA-N,3,1,0.313,52,169,465.521,3.273,6,0.401,0.68,1.0,0.0172452196559523,0.01040024672743472,0.01290178877390172,0.0264803646083202,0.016756904941402233
EOS-3-23499,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)c(F)c1,FADPZLFEEZNXQJ-UHFFFAOYSA-N,3,1,0.54,37,79,434.41,2.882,5,0.405,0.63,1.0,0.6258395586320334,0.5592317181824412,0.6019207045438969,0.5951614008635461,0.5955383455554794
EOS-3-23500,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,LXQIOTGDZBHJQC-UHFFFAOYSA-N,3,1,0.427,18,132,448.849,3.452,5,0.364,0.68,0.971,0.6826639709409911,0.6695908436707559,0.44284147762319237,0.5074617915153177,0.5756395209375642
EOS-3-23501,Cc1cnccc1COc1cncc2nnc(-c3cc(-c4cccnc4)ccc3Cl)n12,XGFNBUZVUWWDII-UHFFFAOYSA-N,3,1,0.477,97,91,428.883,4.789,5,0.4,0.8,1.0,0.7551744225892674,0.7500171338496333,0.8116732917551915,0.8034233431567405,0.7800720478377081
EOS-3-23502,Cc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ncc(F)cn5)c4)n23)c(C)n1,UAAIRXRTXAUTQM-UHFFFAOYSA-N,3,1,0.472,73,82,462.876,4.027,5,0.385,0.71,1.0,0.8037146186005072,0.8965286820642862,0.3545935850866973,0.3819477760263176,0.6091961654444521
EOS-3-23503,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)nc(C)n2)cn1,YMGDKTZUYSOTFH-UHFFFAOYSA-N,3,1,0.561,46,907,462.876,4.027,5,0.385,0.71,1.0,0.8090518127612912,0.7179854019601124,0.5827564937290111,0.5507247618394902,0.6651296175724761
EOS-3-23504,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,XTLNHTYENXRQDB-UHFFFAOYSA-N,3,1,0.5,24,583,447.861,4.057,5,0.387,0.69,1.0,0.8440734014118292,0.805136728120074,0.5890446165444452,0.636865190871085,0.7187799842368583
EOS-3-23505,Cc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ncc(C)nn5)c4)n23)cn1,QYJXPRSPASAOQK-UHFFFAOYSA-N,3,1,0.506,7,815,445.874,3.283,5,0.401,0.63,1.0,0.5891388527174286,0.8281646220272771,0.21251970392707834,0.2163319854704955,0.4615387910355699
EOS-3-23506,Cc1cccc(-c2cncc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)c2)c1,CHNBNLXAJMTMIF-UHFFFAOYSA-N,3,1,0.477,2,884,430.418,4.414,5,0.411,0.74,1.0,0.7697724624768693,0.6841888835583579,0.882376122267151,0.8646168871221986,0.8002385888561442
EOS-3-23507,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4F)n23)s1,ZZHPPNSCEKDYEM-UHFFFAOYSA-N,3,1,0.45,90,683,475.908,4.298,5,0.403,0.79,0.998,0.422683503529573,0.20253923651566033,0.47103522719484614,0.6102648893153314,0.4266307141388528
EOS-3-23508,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)nn1,CESAPYSCJZRZCN-UHFFFAOYSA-N,3,1,0.585,13,573,451.824,4.676,5,0.392,0.72,1.0,0.8166763758481256,0.8386077033787952,0.867752381605099,0.8879446233979851,0.8527452710575012
EOS-3-23509,Fc1cc(-c2nnc3cncc(-c4ncc(-c5cncnn5)cc4F)n23)ccc1OC(F)F,NJMMYOSBDXHVMJ-UHFFFAOYSA-N,3,1,0.379,50,844,454.347,3.585,5,0.371,0.69,1.0,0.5297786306627373,0.7225173051881296,0.9160355698718388,0.9070659995887876,0.7688493763278733
EOS-3-23510,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)nn2)cnc1F,ICTYVRGDFOMKIV-UHFFFAOYSA-N,3,1,0.404,54,411,463.864,3.156,5,0.35,0.71,0.483,0.6614265643204715,0.6355201836748681,0.23718388047426495,0.2781423480227537,0.45306824412308955
EOS-3-23511,Cn1ncnc1-c1cccc(-c2cncc3nnc(-c4cnn(C)c4-c4ccc(F)cc4)n23)n1,HWHUFDRQMYXLSU-UHFFFAOYSA-N,3,1,0.346,76,750,452.457,3.188,6,0.405,0.62,1.0,0.17289767664998973,0.2630045918717017,0.2017510794325269,0.2633301350147351,0.22524587074223837
EOS-3-23512,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)[nH]n2)o1,YSJCXGRJZXKMSW-UHFFFAOYSA-N,3,1,0.419,53,963,426.799,3.244,5,0.454,0.68,0.656,0.6035398533342471,0.46366767185251184,0.42060174079912277,0.4790024672743472,0.4917029333150572
EOS-3-23513,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cc4F)n23)cc1,KLUBEZLAPCQTAG-UHFFFAOYSA-N,3,1,0.366,62,302,455.518,5.218,6,0.395,0.88,1.0,0.2581471455006511,0.2783308203687204,0.5795867315468439,0.6654530189843054,0.4453794291001302
EOS-3-23514,Fc1cc(-c2ccco2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,SRAFXRDVYLBIRP-UHFFFAOYSA-N,3,1,0.3,32,693,424.399,4.038,6,0.455,0.69,1.0,0.3010674388321568,0.3331591391953944,0.6080546227126311,0.6308169419505174,0.46827453567267496
EOS-3-23515,COCc1nc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)ccc1F,KNWHMNOAOCTBDV-UHFFFAOYSA-N,3,1,0.583,48,305,449.364,3.949,4,0.395,0.69,1.0,0.9276951545473237,0.957216777465561,0.9707867863751628,0.9192910013021726,0.943747429922555
EOS-3-23516,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccc(F)nn6)c5)n34)nc2)n1,PVKFVYIJWGYDPK-UHFFFAOYSA-N,3,1,0.267,98,179,450.441,3.245,6,0.402,0.6,0.666,0.12352648893153313,0.1636967993968885,0.3733551504351998,0.3819563429511343,0.2606336954286889
EOS-3-23517,Fc1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)cn2)ccn1,SKHRRFCDJODFRM-UHFFFAOYSA-N,3,1,0.283,64,114,447.437,3.906,6,0.375,0.7,0.94,0.20940134329381124,0.2990028099513399,0.4064834487012542,0.45765369063121103,0.3431353231444041
EOS-3-23518,N#Cc1ccc(F)c(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)c1,OIILFSQRPYKUGD-UHFFFAOYSA-N,3,1,0.29,30,668,458.46,4.717,6,0.379,0.76,0.999,0.008010074703584402,0.17619594270440683,0.8574720718250977,0.8740062367212665,0.4789210814885888
EOS-3-23519,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)c1,IRGJCFHKLCPWAQ-UHFFFAOYSA-N,3,1,0.448,65,822,433.863,2.652,5,0.402,0.64,1.0,0.5425433486395723,0.48532485778904805,0.24794393804399972,0.24827804811184978,0.3810225481461175
EOS-3-23520,Cc1cc(OCc2cncc3nnc(-c4cc(-c5cncc(F)c5)ccn4)n23)ccc1Cl,GPIYOUKQHJAECE-UHFFFAOYSA-N,3,1,0.352,14,189,446.873,4.928,5,0.381,0.82,1.0,0.57460934822836,0.5540658625179905,0.8759080940305668,0.8809882804468508,0.721392896305942
EOS-3-23521,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(C)n5)n34)nc(C)n2)cn1,SXVVTCCOHDYJQE-UHFFFAOYSA-N,3,1,0.402,7,330,425.456,2.938,5,0.419,0.68,1.0,0.31422623535055855,0.11611609896511549,0.08455554794051127,0.04367418271537249,0.13964301624288944
EOS-3-23522,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)c4)n23)c(F)c1,YOPDZGUOPIFTDV-UHFFFAOYSA-N,3,1,0.506,13,145,420.354,4.458,5,0.427,0.76,1.0,0.8939157699952025,0.912009115208005,0.9438695086011926,0.9427215406757591,0.9231289836200398
EOS-3-23523,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5)n34)nn2)n1,UDBOPTXXZDEUER-UHFFFAOYSA-N,3,1,0.25,70,652,437.427,2.402,6,0.404,0.64,0.991,0.10266602700294702,0.028639229662120486,0.03178329106983757,0.028442190391337125,0.047882684531560554
EOS-3-23524,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2F)cn1,HNJSIPAOQAAEJZ-UHFFFAOYSA-N,3,1,0.5,20,658,444.43,2.291,5,0.402,0.65,1.0,0.7895449249537386,0.7271862792132137,0.3808597765746008,0.34318244123089575,0.5601933554931122
EOS-3-23525,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6cnnc6)cn5)n34)cc2)c1,CBUPOKTZEXFMSL-UHFFFAOYSA-N,3,1,0.291,98,882,420.44,2.834,6,0.432,0.66,1.0,0.03113220478377082,0.021562949763552875,0.38456925502021794,0.33685148379137825,0.19352897333972996
EOS-3-23526,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nn4)n23)c1,MYQIUJFISSGPJG-UHFFFAOYSA-N,3,1,0.398,54,411,436.357,3.035,5,0.387,0.65,0.687,0.7371410458501816,0.6450466040710027,0.6139486669864985,0.6455434857103695,0.660419950654513
EOS-3-23527,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)c1,SXPBUWUPOXBQNJ-UHFFFAOYSA-N,3,1,0.419,55,85,430.859,3.579,5,0.416,0.66,1.0,0.5692721540675759,0.65014392433692,0.43174730998560756,0.41336268932903847,0.5161315194297855
EOS-3-23528,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnn5)cn4)n23)nc1,SDTMIXZSAOFIJX-UHFFFAOYSA-N,3,1,0.337,33,60,425.416,0.779,5,0.428,0.56,1.0,0.11000788157083133,0.03149201562607087,0.034430470838187927,0.01688540881365225,0.048203944212185594
EOS-3-23529,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ncc4Cl)n23)cn1,SFPGYLSBOZWECM-UHFFFAOYSA-N,3,1,0.44,55,823,436.838,3.353,5,0.39,0.65,1.0,0.7159464738537454,0.6743540538688233,0.6551641422794874,0.6277671167157837,0.6683079466794599
EOS-3-23530,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)cc1,RTVQLDIUPKZKLY-UHFFFAOYSA-N,3,1,0.471,59,560,434.381,4.245,5,0.385,0.74,1.0,0.8141062984031252,0.7842162977177712,0.9271040367349737,0.927609485299157,0.8632590295387568
EOS-3-23531,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(C)c5)n34)nn2C)cc1,GNCIORCRFMJCNQ-UHFFFAOYSA-N,3,1,0.548,95,54,425.496,3.825,5,0.411,0.77,0.998,0.30882050579124115,0.11328901377561511,0.3467976835035296,0.2633387019395518,0.25806147625248443
EOS-3-23532,Cc1cc(-c2ncc(-c3nnc4cncc(-c5ncc(F)c(C6CC6)n5)n34)cn2)ccn1,MUMOYAWIYKEYNS-UHFFFAOYSA-N,3,1,0.301,50,489,425.431,3.425,6,0.431,0.67,1.0,0.30107600575697346,0.3240096634911932,0.055162428894524024,0.11804365704886574,0.19957293879788912
EOS-3-23533,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)cn1,RFSIMGJPTWEOSY-UHFFFAOYSA-N,3,1,0.489,37,699,445.433,3.851,5,0.392,0.66,1.0,0.7314183400726475,0.6990781988897266,0.6139572339113152,0.5951699677883627,0.659905935165513
EOS-3-23534,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cccnc1,MAKLCFPVZUNYRE-UHFFFAOYSA-N,3,1,0.463,87,657,460.885,3.322,5,0.36,0.71,1.0,0.577470701117127,0.67436262079364,0.2772513878418203,0.25439483243095057,0.44586988554588447
EOS-3-23535,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(Cl)cn5)nn4)n23)nn1,QJSAKRADIFNWCM-UHFFFAOYSA-N,3,1,0.383,53,587,462.821,0.555,5,0.37,0.62,0.986,0.39401857309300253,0.32851586594476045,0.0065879651840175454,0.005919745048317456,0.1837605373175245
EOS-3-23536,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c1,QQDPZQBTXRKLNB-UHFFFAOYSA-N,3,1,0.483,16,931,436.838,3.353,5,0.39,0.66,1.0,0.527285655541087,0.540255979713522,0.5827650606538277,0.5889246795970119,0.5598078438763622
EOS-3-23537,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccnnc6)c5)n34)cn2)cc1,JLVGOJIHLNZQEI-UHFFFAOYSA-N,3,1,0.295,30,195,417.436,3.496,6,0.433,0.71,1.0,0.005962579672400795,0.01939551778493592,0.442850044548009,0.47001576314166266,0.2345559762867521
EOS-3-23538,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)c(F)c1F,QKWASLMGMOVYMD-UHFFFAOYSA-N,3,1,0.697,48,101,409.396,3.051,4,0.529,0.81,1.0,0.7953361661298061,0.4994688506613666,0.7013998355150435,0.6162960043862655,0.6531252141731204
EOS-3-23539,Cc1noc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)n1,OQUMQIZCKVCWHX-UHFFFAOYSA-N,3,1,0.535,4,10,437.822,3.916,5,0.407,0.69,1.0,0.643024809814269,0.7757436090740868,0.5467154410252896,0.5670190528407922,0.6331257281886095
EOS-3-23540,FC(F)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnc(Cl)c5)n4)n23)nc1,LOWIGZGPGXGLCT-UHFFFAOYSA-N,3,1,0.29,29,849,437.801,3.691,5,0.392,0.66,0.194,0.2635957096840518,0.41469056267562193,0.6468884929065862,0.6860736070180248,0.5028120930710712
EOS-3-23541,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1ncccc1F,ZIMYBUSSJFZBEV-UHFFFAOYSA-N,3,1,0.442,49,122,461.432,3.818,5,0.376,0.73,0.998,0.5528921938181071,0.5266345692550202,0.4949369474333493,0.397488177643753,0.4929879720375574
EOS-3-23542,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,WBQRAVQRSIBBLY-UHFFFAOYSA-N,3,1,0.529,34,820,436.838,3.353,5,0.417,0.65,1.0,0.542551915564389,0.7884654924268385,0.4884517853471318,0.5507333287643068,0.5925506305256665
EOS-3-23543,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C(F)(F)F)cn5)ccn4)n23)cn1,MHPWWSAFEQPGIV-UHFFFAOYSA-N,3,1,0.529,27,69,464.411,3.945,5,0.385,0.74,1.0,0.6645449249537386,0.7411760674388321,0.8892382290453019,0.7560568158453841,0.7627540093208143
EOS-3-23544,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)c(C)n1,MHMQGUKUTZXBIL-UHFFFAOYSA-N,3,1,0.571,15,320,425.496,3.825,5,0.411,0.71,1.0,0.7098553903090946,0.40993591940237134,0.30619045987252413,0.19567712973750942,0.4054147248303749
EOS-3-23545,Fc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)c1,ULGVOYOWVMPGGB-UHFFFAOYSA-N,3,1,0.392,96,243,419.37,4.387,5,0.43,0.76,1.0,0.30374031937495716,0.5884620656569118,0.8964430128161195,0.8893324652182852,0.6694944657665685
EOS-3-23546,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncc(C)n5)c4)n23)cc1,QFSPCAHLBAUQIG-UHFFFAOYSA-N,3,1,0.318,74,333,411.429,2.102,5,0.481,0.78,1.0,0.0162343225275855,0.014795079158385306,0.15593516551298744,0.08468405181276129,0.06791215475292989
EOS-3-23547,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,ZLSXLKDFKMQVMR-UHFFFAOYSA-N,3,1,0.605,2,422,447.861,4.323,5,0.396,0.73,1.0,0.8141148653279419,0.8244637105064766,0.815502707148242,0.7946336782948393,0.812178740319375
EOS-3-23548,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)cn1,UEIXWEGPPDSUIM-UHFFFAOYSA-N,3,1,0.683,27,996,465.395,3.963,5,0.356,0.74,1.0,0.8574720718250977,0.9333236241518744,0.8903347954218354,0.832293879788911,0.8783560927969296
EOS-3-23549,FC(F)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ncc(Cl)s5)n4)n23)cn1,YLFAGKIVDXYHPW-UHFFFAOYSA-N,3,1,0.387,50,243,443.83,3.753,5,0.413,0.63,0.494,0.22877116030429717,0.4547752038928106,0.32464361592762664,0.3944640531834693,0.35066350832705095
EOS-3-23550,OCc1cnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)cn1,FSSHMXGKGHRCIH-UHFFFAOYSA-N,3,1,0.494,7,815,430.403,2.249,5,0.432,0.63,1.0,0.7726338153656364,0.7457165375916661,0.37336371736001644,0.31779864299910904,0.552378178329107
EOS-3-23551,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)cnn1,MSACPBORXKXILD-UHFFFAOYSA-N,3,1,0.506,16,659,420.383,2.839,5,0.431,0.69,0.998,0.6888064560345418,0.6355287505996847,0.5230450277568364,0.527414159413337,0.5936985984511001
EOS-3-23552,Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5cccc(C)n5)n4)n23)c(Cl)c1,AVQULTDBKYIJTQ-UHFFFAOYSA-N,3,1,0.447,4,975,432.875,3.616,5,0.418,0.69,1.0,0.32396682886710987,0.46786546501267906,0.2516277157151669,0.2810037009115208,0.3311159276266191
EOS-3-23553,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5F)nc4)n23)cc1,WGJOHESAMVQYEJ-UHFFFAOYSA-N,3,1,0.368,9,192,466.455,4.594,6,0.378,0.77,1.0,0.2339541498183812,0.36229525049688166,0.7844904393119047,0.7968525118223563,0.544398087862381
EOS-3-23554,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnc5)n4)n23)cc1,IYPZIPIPNOHQIE-UHFFFAOYSA-N,3,1,0.473,56,8,462.477,3.018,6,0.367,0.64,1.0,0.4792937427181139,0.29416249742992256,0.2193646768555959,0.1657442944280721,0.2896413028579261
EOS-3-23555,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4cccnc4)n23)cn1,TYSSDRQIZBHESO-UHFFFAOYSA-N,3,1,0.409,6,843,462.477,3.018,6,0.367,0.69,1.0,0.45964121718867795,0.24786683572064971,0.1784404770063738,0.16296004386265506,0.2622271434445891
EOS-3-23556,O=C(c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cn1)N1CCOCC1,KKFZRUCPIHBGRN-UHFFFAOYSA-N,3,1,0.54,78,548,486.319,2.94,5,0.424,0.85,1.0,0.25536289493523406,0.2835052429579878,0.011959427044068261,0.1064269069974642,0.16431361798368857
EOS-3-23557,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)cn1,IHDYOHFVAQESIS-UHFFFAOYSA-N,3,1,0.523,24,99,446.858,2.763,5,0.392,0.66,1.0,0.5140668905489686,0.5220341306284696,0.3733722842848331,0.3627150298128984,0.44304708381879243
EOS-3-23558,Cc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nccn5C)c4)n23)n1,JYSXBHJHEATJHG-UHFFFAOYSA-N,3,1,0.506,20,279,430.447,3.051,5,0.408,0.66,1.0,0.7098639572339113,0.6646819957508053,0.27725995476663695,0.24522822287711604,0.4742585326571174
EOS-3-23559,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)n2)n1,ZBBWWLWZKOEBTK-UHFFFAOYSA-N,3,1,0.342,38,865,466.896,3.759,6,0.386,0.7,0.933,0.1567490233705709,0.22758892467959702,0.3174559660064423,0.36905455417723254,0.2677121170584607
EOS-3-23560,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)nc1,ANALTRMAOBYOJI-UHFFFAOYSA-N,3,1,0.495,65,131,428.431,3.107,5,0.406,0.65,1.0,0.6915821396751423,0.6695994105955726,0.2731563977794531,0.257299019943801,0.47290924199849227
EOS-3-23561,Cn1ncc(-c2cc(F)cc(-c3cncc4nnc(-c5cnccc5-c5ccccc5)n34)c2)n1,QGJCQMILYBIEFM-UHFFFAOYSA-N,3,1,0.309,30,192,448.465,4.455,6,0.396,0.71,0.989,0.16750908094030567,0.18039373586457405,0.6688540881365225,0.7084504146391611,0.4313018298951409
EOS-3-23562,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(C)cn5)n34)nc(C)n2)nc1,XWWMIBAJOHFTRF-UHFFFAOYSA-N,3,1,0.424,31,330,439.483,2.98,5,0.393,0.63,0.947,0.4089421561236379,0.11612466588993214,0.06079946542389144,0.035475635665821396,0.1553354807758207
EOS-3-23563,Clc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)nc1,LQCMITYDBHCFJC-UHFFFAOYSA-N,3,1,0.473,75,420,466.292,3.362,5,0.371,0.67,1.0,0.722226029744363,0.7271948461380303,0.22281714755671303,0.3272051264478103,0.49986078747172913
EOS-3-23564,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,GVAZVEHDQSMNDB-UHFFFAOYSA-N,3,1,0.279,99,286,422.416,1.829,6,0.45,0.61,1.0,0.11276643136179837,0.09109211157562881,0.0627784250565417,0.06490302241107532,0.08288499760126104
EOS-3-23565,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,UZWSMNGERIOWFF-UHFFFAOYSA-N,3,1,0.279,99,286,422.416,1.829,6,0.45,0.61,1.0,0.11277499828661504,0.09110067850044548,0.06278699198135837,0.06491158933589199,0.08289356452607773
EOS-3-23566,Cn1cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnnn6C)cn5)n34)c2)cn1,DWHLWEUYDKQRAV-UHFFFAOYSA-N,3,1,0.226,99,286,424.432,1.568,6,0.418,0.65,0.978,0.0010023302035501336,0.010408813652251388,0.09871667466246316,0.07772770886162703,0.046963881844972924
EOS-3-23567,Cn1cc(-c2nnn(C)c2-c2cncc3nnc(-c4ccncc4-c4cncnc4)n23)cn1,HOTIBXKFLWMWKS-UHFFFAOYSA-N,3,1,0.265,86,780,436.443,1.839,6,0.406,0.61,1.0,0.021939894455486258,0.01345007196216846,0.07095127133164279,0.08641457062572819,0.048188952093756426
EOS-3-23568,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,YNMITAXSAWHIJC-UHFFFAOYSA-N,3,1,0.517,92,185,435.398,2.893,5,0.401,0.64,1.0,0.5861918305804948,0.45905866630114456,0.4778116647248304,0.3754540470152834,0.4746290521554383
EOS-3-23569,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4scnc4-c4cccc(F)c4)n23)cn1,INSCFKRRAABHGD-UHFFFAOYSA-N,3,1,0.345,10,522,455.482,3.911,6,0.397,0.69,0.978,0.14274210129531903,0.2630131587965184,0.24091049276951546,0.3208913028579261,0.24188926392981974
EOS-3-23570,Cc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3cc(F)c(Cl)cn3)n12,BUCLNUIJGGWSTJ-UHFFFAOYSA-N,3,1,0.483,16,353,449.877,4.267,5,0.398,0.73,1.0,0.6119440065793983,0.6696079775203893,0.7089130285792612,0.6713556301829895,0.6654551607155096
EOS-3-23571,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Cl)cn1,AQIJPIIQDJXOFM-UHFFFAOYSA-N,3,1,0.6,16,32,452.305,4.473,5,0.391,0.71,1.0,0.8884929065862518,0.8519549722431636,0.7800013707079707,0.8203601535192927,0.8352023507641698
EOS-3-23572,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cc2)nc1,ZNLVPLGWVIYWNV-UHFFFAOYSA-N,3,1,0.333,69,174,427.471,4.977,6,0.395,0.83,1.0,0.0790384483585772,0.08812795558906175,0.6934754300596258,0.7113717360016448,0.3930033925022274
EOS-3-23573,COc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5noc(C)n5)cn4)n23)c1,UEYJBQPTKLHLDK-UHFFFAOYSA-N,3,1,0.307,64,449,463.461,3.677,6,0.373,0.73,1.0,0.30627612912069085,0.1408059762867521,0.14374443149886917,0.12261839490096635,0.17836123295181963
EOS-3-23574,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ccccc6)n5)n34)cc2)n1C,HAKOCVQDIDTJRB-UHFFFAOYSA-N,3,1,0.361,93,553,444.502,4.624,6,0.394,0.73,1.0,0.18427455280652458,0.059600095949557945,0.39562915495853607,0.36272359673771504,0.2505568501130834
EOS-3-23575,Cc1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cc(Cl)ncn5)n4)n23)cn1,BJZZAGHMXGHRHP-UHFFFAOYSA-N,3,1,0.365,85,81,432.85,3.73,5,0.399,0.65,1.0,0.3550818998012473,0.45478377081762733,0.49494551435816597,0.5344990062367213,0.4598275478034405
EOS-3-23577,Cc1ncc(-c2nncn2C)cc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,KUIJQSLJALLUJK-UHFFFAOYSA-N,3,1,0.456,92,185,449.425,3.202,5,0.389,0.66,1.0,0.55033925022274,0.4853334247138647,0.4815125762456309,0.3528287985744637,0.4675035124391749
EOS-3-23578,Cc1cc(-c2ccc(Cl)nn2)cc(-c2nnc3cncc(OCCc4cncnn4)n23)n1,LKPVJHZJHSYPHG-UHFFFAOYSA-N,3,1,0.36,53,602,446.862,2.412,5,0.383,0.61,1.0,0.529787197587554,0.5084212870947844,0.09872524158727983,0.12903502158865054,0.31649218696456716
EOS-3-23579,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1F,CSMZQVOGFMIJBO-UHFFFAOYSA-N,3,1,0.441,26,911,432.463,3.435,5,0.409,0.69,1.0,0.37353505585634983,0.454792337742444,0.35460215201151396,0.26334726886436843,0.36156920361866907
EOS-3-23580,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)c1F,MIBZOEPRJCGJQP-UHFFFAOYSA-N,3,1,0.457,18,720,428.431,3.107,5,0.406,0.64,1.0,0.637276403262285,0.5309951339867042,0.4028425056541704,0.33998697827427865,0.47777525529435955
EOS-3-23581,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cn1,QKZZIVJMQCPMKD-UHFFFAOYSA-N,3,1,0.533,11,278,443.898,4.227,5,0.363,0.76,1.0,0.7494602837365499,0.8087948050167911,0.502116030429717,0.4882033445274484,0.6371436159276266
EOS-3-23582,N#Cc1c(F)ccc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c1F,GMMOSUIRIDFKLH-UHFFFAOYSA-N,3,1,0.494,75,420,442.389,3.372,5,0.407,0.65,1.0,0.9115465012679048,0.7799071345349873,0.8135751490644918,0.7586697279144679,0.8159246281954629
EOS-3-23583,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)n1,GMIYKVGJBZAGRE-UHFFFAOYSA-N,3,1,0.566,4,712,448.849,3.718,5,0.4,0.65,1.0,0.7005345761085601,0.8166678089233089,0.539870468096772,0.5703344527448427,0.6568518264683709
EOS-3-23584,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)nc1,ABVZEFLKHLGPAJ-UHFFFAOYSA-N,3,1,0.298,94,392,435.476,3.829,6,0.411,0.65,0.994,0.0905609622369954,0.16370536632170515,0.23719244739908163,0.26922417928860254,0.19017073881159618
EOS-3-23585,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nn1,SKCKKLWXMDZPMN-UHFFFAOYSA-N,3,1,0.542,36,212,419.836,2.609,5,0.427,0.66,1.0,0.4551692824343774,0.655275512302104,0.2228257144815297,0.29294599410595573,0.4065541258309917
EOS-3-23586,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cn4)n23)ccn1,MVOGFSLFECXTFI-UHFFFAOYSA-N,3,1,0.458,18,529,443.898,4.227,5,0.363,0.79,1.0,0.7640925913234186,0.7965869371530395,0.5890531834692618,0.5638235898841751,0.6783890754574737
EOS-3-23587,Cc1ccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5n[nH]c(C)n5)c4)n23)cn1,YZBZDBWCIWOURE-UHFFFAOYSA-N,3,1,0.57,15,684,430.447,3.349,5,0.44,0.66,1.0,0.7037728736892606,0.6022376807621136,0.3655335480775821,0.29597011856623945,0.491878555273799
EOS-3-23588,Cc1cnc(Oc2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2)cn1,BZBXGMOJOJRLJN-UHFFFAOYSA-N,3,1,0.545,59,521,446.417,4.539,5,0.378,0.74,1.0,0.9534815982454938,0.8965372489891029,0.8605047632101981,0.7923291755191556,0.8757131964909876
EOS-3-23589,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)ccn2)nc1,BWYOMOGYCVDQMQ-UHFFFAOYSA-N,3,1,0.5,73,980,436.357,3.035,5,0.414,0.61,1.0,0.8732523473373998,0.7799157014598039,0.6747652662600233,0.6654615859091221,0.7483487252415872
EOS-3-23590,Cc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5ccnc(C)c5)c4)n23)cn1,IINCONSCXSCUTM-UHFFFAOYSA-N,3,1,0.5,4,253,427.443,3.978,5,0.419,0.69,1.0,0.6734887944623398,0.6892348022753753,0.6314166266876842,0.5374802960729217,0.6329051298745803
EOS-3-23591,COc1cc(-c2nnc3cncc(CCc4cc(F)c(-c5cncnn5)nn4)n23)ccc1Cl,DDDSFGIRVKZESX-UHFFFAOYSA-N,3,1,0.391,22,487,463.864,3.02,5,0.374,0.67,0.999,0.6459461311767528,0.6743711877184566,0.2883112877801384,0.3690631211020492,0.4944229319443493
EOS-3-23592,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4F)n23)nc1,CKWQQDWBLTYNJL-UHFFFAOYSA-N,3,1,0.456,36,258,417.408,2.403,5,0.429,0.73,1.0,0.5016105818655335,0.45480090466726064,0.2443286957713659,0.2308357891851141,0.35789399287231854
EOS-3-23593,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,GKYIBBJZWDOHQU-UHFFFAOYSA-N,3,1,0.495,2,76,447.861,4.057,5,0.387,0.7,1.0,0.8510811459118635,0.8581574258104311,0.6908796518401754,0.7380491398807484,0.7845418408608046
EOS-3-23594,Cc1nc(-c2cncs2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,WRBVGWIXBKVVJU-UHFFFAOYSA-N,3,1,0.413,46,62,436.888,3.641,5,0.411,0.67,1.0,0.5349102186279213,0.49477417586183264,0.24433726269618258,0.2810122678363375,0.38875848125556856
EOS-3-23595,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(F)cc1-c1cccnn1,RSDPPKWROYHFTP-UHFFFAOYSA-N,3,1,0.427,73,196,452.812,3.549,5,0.399,0.65,1.0,0.7463676238777328,0.8386162703036119,0.677301076005757,0.7271434445891303,0.747357103694058
EOS-3-23596,c1ccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)n2)nc1,VNVOJPXZLFTNAT-UHFFFAOYSA-N,3,1,0.296,32,368,435.476,3.829,6,0.411,0.66,1.0,0.09056952916181207,0.14816496470426976,0.18156740456445755,0.19843567952847646,0.15468439448975396
EOS-3-23597,Cc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3cnc(C#N)n3C)n12,ZCYWLBGWIWBLKJ-UHFFFAOYSA-N,3,1,0.404,92,448,425.456,2.684,5,0.425,0.66,1.0,0.3982249331779864,0.32401823041600986,0.2953447330546227,0.19314988691659243,0.3026844458913029
EOS-3-23598,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cnccn6)n5)n34)nc2)cn1,BLOSCRKGXIGRFP-UHFFFAOYSA-N,3,1,0.265,86,790,448.425,3.301,6,0.374,0.66,0.963,0.25815571242546775,0.30900897813720785,0.3546107189363306,0.3788551161675005,0.3251576314166267
EOS-3-23599,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)ccc1F,NVXHOSNMZMGKPX-UHFFFAOYSA-N,3,1,0.517,4,22,447.861,4.323,5,0.37,0.78,1.0,0.8711363169076828,0.8281731889520938,0.6908882187649921,0.6511805222397368,0.7603445617161264
EOS-3-23600,Brc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)n1,INHKUWWIUYQLQK-UHFFFAOYSA-N,3,1,0.535,35,922,474.322,4.027,5,0.367,0.76,1.0,0.855270372147214,0.8581659927352477,0.4206103077239394,0.44177917894592555,0.6439564628880817
EOS-3-23601,Cc1cnc(-c2cnc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)cn2)nc1,BKPJCBJTDVHNCT-UHFFFAOYSA-N,3,1,0.396,7,828,432.835,2.369,5,0.408,0.6,0.999,0.41797169488040575,0.48534199163868136,0.08186553354807759,0.10862003975053115,0.273449814954424
EOS-3-23602,Cc1ncc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)c(F)n1,KGLDTBDZHCMUFJ-UHFFFAOYSA-N,3,1,0.426,18,840,428.431,3.107,5,0.38,0.7,1.0,0.6673805770680556,0.5635751490644918,0.30980570214515796,0.2900675073675553,0.4577072339113152
EOS-3-23603,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nc1,SRZUIGACCTXPNU-UHFFFAOYSA-N,3,1,0.333,38,983,421.424,3.304,6,0.426,0.7,1.0,0.110016448495648,0.08148002193132753,0.3246521828524433,0.2867949420875882,0.20073589884175175
EOS-3-23604,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)nn1,DVSDUWRLKSYLRM-UHFFFAOYSA-N,3,1,0.462,87,131,431.847,2.708,5,0.4,0.61,1.0,0.5976800767596464,0.6501524912617367,0.15925913234185457,0.2013741347405935,0.4021164587759578
EOS-3-23605,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)c2)cn1,GKMOHVWWODGKRY-UHFFFAOYSA-N,3,1,0.5,15,563,449.877,4.001,5,0.364,0.75,1.0,0.5976886436844631,0.6355373175245014,0.6934839969844425,0.6860821739428414,0.6531980330340621
EOS-3-23606,Clc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)c1,RKICXBFQDBDEKT-UHFFFAOYSA-N,3,1,0.53,2,419,434.912,4.585,5,0.389,0.77,1.0,0.685782331574258,0.75002570077445,0.6409002124597355,0.6887807552600919,0.6913722500171338
EOS-3-23607,Cc1cccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccc(Cl)c5)n34)nn2)n1,NAXVTNCNKAIZJU-UHFFFAOYSA-N,3,1,0.309,39,972,466.896,3.853,6,0.385,0.72,0.994,0.008018641628401069,0.10043005962579672,0.19498320882735934,0.3149201562607087,0.15458801658556645
EOS-3-23608,CNC(=O)c1ccc(-c2nnc3cncc(-c4csc(-c5ccccc5)n4)n23)cc1,YZIAHWMFQRASCA-UHFFFAOYSA-N,3,1,0.365,62,366,412.478,3.941,5,0.483,0.82,1.0,0.10521040367349736,0.11329758070043178,0.317464532931259,0.260186073607018,0.19903964772805155
EOS-3-23609,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nc1,XQHUUWNFAWSEBX-UHFFFAOYSA-N,3,1,0.404,53,65,449.837,2.847,5,0.36,0.66,1.0,0.6314680282365842,0.6501610581865533,0.2409190596943321,0.32089986978274276,0.4608620039750531
EOS-3-23610,Fc1ncccc1-c1cnnc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,ZMHVXGYXXZRPRL-UHFFFAOYSA-N,3,1,0.414,53,602,449.837,2.847,5,0.36,0.66,0.837,0.654992803783154,0.65016962511137,0.31356658213967514,0.40053800287848673,0.5048167534781715
EOS-3-23611,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5nnc(F)cc5F)nc4)n23)cc1,YIOLLSZHAVJDRR-UHFFFAOYSA-N,3,1,0.386,14,886,429.434,4.015,5,0.42,0.67,0.999,0.4793023096429306,0.5592402851072579,0.5767425125077102,0.5951785347131794,0.5526159104927695
EOS-3-23612,COc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cnc(C#N)nc5)n34)c2)cn1,OGJAGHAOCMNNCW-UHFFFAOYSA-N,3,1,0.372,7,48,438.411,1.893,5,0.382,0.63,1.0,0.534918785552738,0.3623038174216983,0.194991775752176,0.10862860667534782,0.30021074635049005
EOS-3-23613,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)nc1,VOJUZLGWPMCDNP-UHFFFAOYSA-N,3,1,0.284,99,968,450.47,2.322,6,0.388,0.62,1.0,0.13211911452265096,0.06363511753820848,0.02205983140291961,0.023087862380919744,0.06022548146117471
EOS-3-23614,Fc1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5F)nn4)n23)c(F)c1,SPCCBMCFELGDTF-UHFFFAOYSA-N,3,1,0.589,34,612,423.358,3.368,5,0.431,0.71,1.0,0.35752347337399765,0.5931224727571791,0.7662857240764855,0.8242067027619766,0.6352845932424097
EOS-3-23615,Cc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3F)n12,IHUBNCVDCMDBKI-UHFFFAOYSA-N,3,1,0.44,73,242,448.849,3.718,5,0.4,0.66,1.0,0.8370999246110616,0.7673651566033857,0.4949540812829827,0.5007110547597834,0.6500325543143033
EOS-3-23616,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)cn5)n4)n23)ccc1Cl,FGDYCWGUGWVPHJ-UHFFFAOYSA-N,3,1,0.467,7,212,448.849,3.718,5,0.4,0.66,1.0,0.7283856486875471,0.8887670481803852,0.5827736275786444,0.597971352203413,0.6994744191624974
EOS-3-23617,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cc1,QKAPWUREPXLWCS-UHFFFAOYSA-N,3,1,0.287,38,179,463.48,4.333,6,0.375,0.77,1.0,0.20380714138852718,0.22759749160441367,0.36937153039544923,0.41009012404907136,0.30271657185936535
EOS-3-23618,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)nc5)n34)cn2)cc1,RNMLOIAPKZLPRI-UHFFFAOYSA-N,3,1,0.292,10,195,417.436,3.496,6,0.433,0.72,0.999,0.009997601261051333,0.031500582550887536,0.44285861147282574,0.4606863820163114,0.236260794325269
EOS-3-23619,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cn2)o1,HMKNACAYLIIZGK-UHFFFAOYSA-N,3,1,0.36,10,871,439.414,3.537,6,0.41,0.65,0.811,0.05110170653142348,0.21693167020766227,0.3135751490644918,0.33352751696251115,0.22878401069152215
EOS-3-23620,Cc1cnnc(-c2nncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1,RGYJJGPVCYBMAL-UHFFFAOYSA-N,3,1,0.462,36,571,481.48,1.608,6,0.36,0.78,1.0,0.32921835377972725,0.10043862655061339,0.008412720169967788,0.008164279350284421,0.1115584949626482
EOS-3-23621,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3cncnc3-c3ncccn3)n12,OFWLXUXDCNUPMD-UHFFFAOYSA-N,3,1,0.473,27,242,450.384,3.694,5,0.386,0.67,1.0,0.9051555753546707,0.9033136865190871,0.7636899458570352,0.7297991912822973,0.8254895997532726
EOS-3-23622,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)o2)cn1,NGTVWVDCRSUQBI-UHFFFAOYSA-N,3,1,0.467,27,69,440.345,3.287,5,0.392,0.68,1.0,0.7283942156123638,0.7715629497635529,0.6314251936125008,0.5310636693852375,0.6656115070934138
EOS-3-23623,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)ncn2)cn1,HOHGJDHHLMFJGA-UHFFFAOYSA-N,3,1,0.457,7,354,440.427,1.42,5,0.409,0.59,1.0,0.427429579878007,0.1844287574532246,0.07532896991296005,0.029307449797820573,0.17912368926050304
EOS-3-23624,CCc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cnc(C)nn5)c4)n23)ccn1,OFEKOVXQCHLHGF-UHFFFAOYSA-N,3,1,0.495,16,253,442.458,3.627,5,0.393,0.67,1.0,0.709872524158728,0.7086303200603111,0.42452539236515663,0.34635220341306283,0.5473451099993147
EOS-3-23625,c1ccc(-c2ccccc2-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)cc4)n23)cc1,ZDFLKHVOCDOUIH-UHFFFAOYSA-N,3,1,0.338,93,810,416.448,4.305,6,0.46,0.79,1.0,0.17844904393119046,0.1716811733260229,0.5598485367692413,0.6425964635734357,0.3881438043999726
EOS-3-23626,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)c1,XZQFWCNMBWCFJJ-UHFFFAOYSA-N,3,1,0.5,4,526,435.85,3.958,5,0.415,0.65,1.0,0.5398533342471387,0.5173137550544856,0.72459906791858,0.7245305325200466,0.6265741724350626
EOS-3-23627,O=C(O)c1ccc(-c2nnc3cncc(CCc4nc(-c5cccnc5)no4)n23)cn1,MHQMVNFKDXUXFN-UHFFFAOYSA-N,3,1,0.402,85,580,414.385,2.115,5,0.438,0.77,1.0,0.16207765060653828,0.0972688643684463,0.022068398327736275,0.014495236789801932,0.07397753752313069
EOS-3-23628,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)nc(C)n2)nn1,FCXIWHQMNUUOJU-UHFFFAOYSA-N,3,1,0.374,31,330,443.446,3.077,5,0.404,0.63,0.999,0.5503478171475568,0.40067507367555344,0.20175964635734356,0.14020629154958536,0.32324720718250977
EOS-3-23629,Clc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ccn4)n23)cn1,YMKAGDZRCUGQGS-UHFFFAOYSA-N,3,1,0.404,18,88,466.292,3.362,5,0.371,0.69,0.795,0.5398619011719553,0.5540744294428072,0.28831985470495514,0.38498903433623466,0.4418113049139881
EOS-3-23630,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cn2)nc1,RVNRCFJGTBEDMO-UHFFFAOYSA-N,3,1,0.315,32,191,434.488,4.434,6,0.405,0.72,1.0,0.09284833116304571,0.19327839078884243,0.3956377218833528,0.40356212733877045,0.27133164279350286
EOS-3-23632,N#Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)c(F)c1,BXBSVWRLRHUEGX-UHFFFAOYSA-N,3,1,0.541,57,709,440.413,4.582,5,0.397,0.73,1.0,0.9582276745939278,0.9318586800082242,0.9578250291275444,0.9526848742375437,0.95014906449181
EOS-3-23633,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(C)nn4C)n23)cc1F,NSCNXNJNOACOGS-UHFFFAOYSA-N,3,1,0.533,90,636,409.425,1.953,4,0.523,0.82,1.0,0.3895723391131519,0.24276951545473238,0.15926769926667123,0.08642313755054486,0.2195081728462751
EOS-3-23634,Cc1ncc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnn(C)c5)n4)n23)s1,AOQYJDKRUODPME-UHFFFAOYSA-N,3,1,0.494,92,860,422.449,3.07,5,0.429,0.69,1.0,0.2688815022959358,0.31936639024055924,0.18492563909259133,0.15506133918168735,0.23205871770269343
EOS-3-23635,Cc1nc(-c2cnc(CO)cn2)cc(-c2nnc3cncc(Oc4ncccc4Cl)n23)n1,DPZMYSNPPRLCLC-UHFFFAOYSA-N,3,1,0.327,7,330,447.846,2.68,5,0.428,0.63,1.0,0.49402028647796586,0.4947827427866493,0.14998115276540333,0.15249982866150366,0.3228210026728805
EOS-3-23637,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COCc4ccnc(-c5cncnc5)c4)n23)cc1,OWCFCGJGDFCAGN-UHFFFAOYSA-N,3,1,0.447,52,916,478.516,3.252,6,0.361,0.8,0.999,0.2609056952916181,0.08491535878281133,0.2409276266191488,0.23666129806044822,0.2058524946885066
EOS-3-23638,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)nc4)n23)cc1,SGGYGNIYLGASTN-UHFFFAOYSA-N,3,1,0.523,56,415,466.469,1.751,6,0.356,0.69,1.0,0.38737063943526834,0.18886642450825852,0.04762353505585635,0.03879960249468851,0.16566505037351792
EOS-3-23639,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)nc2)cn1,KAEGOTBHMWGOOZ-UHFFFAOYSA-N,3,1,0.372,51,855,466.469,1.751,6,0.356,0.69,1.0,0.3292269207045439,0.1932869577136591,0.06080803234870811,0.035484202590638066,0.15470152833938733
EOS-3-23640,FCCn1cncc1-c1ccccc1-c1nnc2cncc(COc3cccc(F)c3)n12,JSDDPYWSIUIPKE-UHFFFAOYSA-N,3,1,0.377,14,18,432.434,4.342,5,0.383,0.76,1.0,0.4479901994380097,0.5040607223631005,0.6825783016928243,0.705434857103694,0.5850160201494071
EOS-3-23641,N#Cc1ccc(F)c(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ncn2)c1,FBYXPCOJJUEDHH-UHFFFAOYSA-N,3,1,0.375,44,971,445.364,4.33,5,0.406,0.72,1.0,0.8193492563909259,0.7628075526009184,0.9522565279967103,0.954689534644644,0.8722757179082996
EOS-3-23642,Fc1cc(-c2nnc3cncc(OCc4nccc(-c5nn[nH]n5)n4)n23)ccc1C(F)F,JGDIVQFYJWZFDH-UHFFFAOYSA-N,3,1,0.436,36,6,440.349,2.417,5,0.423,0.59,1.0,0.6342951134260846,0.6213933246521829,0.5432030018504558,0.5175964635734357,0.5791219758755398
EOS-3-23643,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncn6C)cn5)n34)cn2)n1,BWRPUXDLNAJGOH-UHFFFAOYSA-N,3,1,0.268,99,813,436.443,1.839,6,0.406,0.6,0.996,0.04961106161332328,0.023893153313686518,0.06081659927352478,0.05579638133095744,0.047529298882873
EOS-3-23644,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ncn2)no1,BKBLEMMQLUHPKE-UHFFFAOYSA-N,3,1,0.478,27,463,436.382,3.456,5,0.394,0.69,1.0,0.6003872250017134,0.5884706325817285,0.4985264889315331,0.4291515317661572,0.529133969570283
EOS-3-23645,Fc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,XCUXCXGDICHBSF-UHFFFAOYSA-N,3,1,0.547,4,675,433.834,4.015,5,0.386,0.72,1.0,0.8885014735110685,0.9533188266739772,0.7374837228428484,0.7688900692207525,0.8370485230621616
EOS-3-23646,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ncn2)ccc1Cl,RYZWMXBWUVOETC-UHFFFAOYSA-N,3,1,0.446,18,194,448.849,3.452,5,0.389,0.64,0.868,0.694657665684326,0.7225258721129464,0.5432115687752724,0.6009269412651634,0.640330511959427
EOS-3-23647,Cc1nc(CCOc2cncc3nnc(-c4cncc(-c5cncc(F)c5)c4)n23)ccc1F,WUXFMQMTERSBDP-UHFFFAOYSA-N,3,1,0.479,87,419,445.433,3.851,5,0.392,0.71,1.0,0.7784507573161538,0.7086388869851278,0.6773096429305736,0.6511890891645535,0.7038970940991022
EOS-3-23648,c1cnc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6ncon6)cc5)n34)cn2)nc1,RUSGRSQMRGLJPD-UHFFFAOYSA-N,3,1,0.29,86,608,420.396,2.755,6,0.419,0.68,1.0,0.15675759029538758,0.10374545952984716,0.12597662942910012,0.144960934822836,0.13286015351929273
EOS-3-23649,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)ncn2)cn1,ORSQXGQQPOXEQE-UHFFFAOYSA-N,3,1,0.398,44,971,433.834,4.537,5,0.411,0.71,1.0,0.6229953395928998,0.664690562675622,0.7684445891302858,0.7736104447947365,0.707435234048386
EOS-3-23650,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cn2)c(C)n1,ZFLNNBIOVOTYFE-UHFFFAOYSA-N,3,1,0.566,13,573,447.861,4.845,5,0.389,0.78,1.0,0.8486395723391131,0.8455383455554794,0.7140446165444452,0.6945891302857926,0.7757029161812076
EOS-3-23651,Cn1ccnc1-c1nnc(-c2nnc3cncc(OCCc4ccccc4F)n23)s1,FDUCYWZSVBDEMN-UHFFFAOYSA-N,3,1,0.605,95,54,422.449,2.804,5,0.415,0.7,1.0,0.3940271400178192,0.28351380988280445,0.05686724693304092,0.09607806181892947,0.20762156466314852
EOS-3-23652,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5C)n34)cc2Cl)n1,XIJKMYXLUUKAQA-UHFFFAOYSA-N,3,1,0.5,16,772,451.849,4.225,5,0.391,0.73,1.0,0.8116732917551915,0.7457251045164828,0.5467240079501062,0.5240045233363032,0.6570317318895209
EOS-3-23653,COc1ncc(-c2nnc3cncc(COc4ccc(F)c(C)n4)n23)cc1-c1cccnc1,PENAEHHSUHUBRG-UHFFFAOYSA-N,3,1,0.384,14,351,443.442,3.678,5,0.392,0.69,1.0,0.5092437118771845,0.5635837159893085,0.4916815160030156,0.3399955451990953,0.476126122267151
EOS-3-23655,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4OC)n23)ccc1-c1cncn1C,ITWWJVDVGSJAIV-UHFFFAOYSA-N,3,1,0.484,16,591,460.469,3.927,5,0.364,0.76,1.0,0.6645534918785553,0.4590672332259612,0.7545490370776506,0.5310722363100542,0.6023104996230553
EOS-3-23656,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)nc1,YJWJQCGBFICQJK-UHFFFAOYSA-N,3,1,0.689,59,294,450.836,4.759,5,0.384,0.78,1.0,0.9621427592351449,0.9287060516756905,0.9312504283462408,0.9367760948529916,0.939718833527517
EOS-3-23657,CCc1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cn2)nn1,PHRCWWYNGYTINT-UHFFFAOYSA-N,3,1,0.444,4,464,430.497,3.55,5,0.403,0.73,1.0,0.32923548762936056,0.3672297991912823,0.05687581385785758,0.03640086354602152,0.1974354910561305
EOS-3-23658,c1ccc(-c2nccnc2-c2cncc3nnc(-c4scnc4-c4ccncc4)n23)nc1,NMGLZLMKNWJIMY-UHFFFAOYSA-N,3,1,0.333,86,114,435.476,3.829,6,0.411,0.67,1.0,0.02639469536015352,0.04109553834555548,0.10636693852374751,0.16065554108697142,0.08362817832910699
EOS-3-23659,Fc1cc(-c2nccnn2)ccc1-c1nnc2cncc(Cc3ccc(Cl)cn3)n12,KGDOITCJGJVDJD-UHFFFAOYSA-N,3,1,0.346,85,81,418.823,3.422,5,0.441,0.67,1.0,0.3982335001028031,0.5084298540196012,0.5734014118292098,0.6713641971078061,0.5378572407648551
EOS-3-23660,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)cn5)ncc4Cl)n23)cn1,DQIHWNCFCVPUGT-UHFFFAOYSA-N,3,1,0.443,51,775,466.292,3.628,5,0.383,0.68,1.0,0.6976303885957097,0.6990867658145432,0.36554211500239875,0.41964224521965593,0.5454753786580768
EOS-3-23662,CCn1nc(C)nc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,WWIMZNNDDGZQQM-UHFFFAOYSA-N,3,1,0.511,36,404,447.89,3.401,5,0.389,0.68,1.0,0.4386865190871085,0.6646991296004386,0.08187410047289426,0.1334384209444178,0.32967454252621475
EOS-3-23663,COCc1ccc(COc2cncc3nnc(-c4cccc(-c5nc(C)cs5)c4)n23)cn1,ADBDKEAUWGBTKB-UHFFFAOYSA-N,3,1,0.602,1,92,444.52,4.344,5,0.369,0.79,1.0,0.35261462545404704,0.23228359947913096,0.39925296415598654,0.2633558357891851,0.31187675621958744
EOS-3-23664,Cn1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)(F)F)cc5F)n34)cc2)nn1,UQYNEBXBBJUECR-UHFFFAOYSA-N,3,1,0.347,14,225,453.403,4.336,5,0.379,0.77,1.0,0.3342300047974779,0.5592488520320745,0.9784199163868138,0.9572681790144609,0.7072917380577068
EOS-3-23665,c1cnnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnn6)n5)n34)nc2)c1,FUJGOUQZQKBIEV-UHFFFAOYSA-N,3,1,0.26,76,887,431.423,2.557,6,0.41,0.61,0.995,0.07478925364950997,0.0557535467068741,0.16548728668357207,0.19029710095264205,0.12158179699814955
EOS-3-23666,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)nc1,UPJPVEBDWPMYMZ-UHFFFAOYSA-N,3,1,0.303,98,356,465.456,3.123,6,0.377,0.68,0.994,0.13982934685765197,0.21694023713247892,0.09162326091426222,0.16575286135288878,0.15353642656432048
EOS-3-23667,Fc1ccc(-c2ncccc2-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cc1,DNIJMSWLTXCGRX-UHFFFAOYSA-N,3,1,0.376,14,476,451.387,4.392,5,0.377,0.75,1.0,0.42033616612980607,0.5498081008841066,0.9305308066616408,0.90014392433692,0.7002047495031183
EOS-3-23668,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncccc5C)c4)n23)c(C)n1,CSVYKFORXHKXEH-UHFFFAOYSA-N,3,1,0.506,24,43,423.48,4.148,5,0.419,0.73,1.0,0.4596497841134946,0.22760605852923035,0.33934445891302856,0.2134877664313618,0.3100220169967788
EOS-3-23669,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,HNMFDPJETUECJB-UHFFFAOYSA-N,3,1,0.381,13,870,442.374,2.953,6,0.423,0.61,1.0,0.7222345966691797,0.6214018915769995,0.3429254334863957,0.31492872318552534,0.5003726612295251
EOS-3-23670,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cnn1,YWBXFNKZNHKURP-UHFFFAOYSA-N,3,1,0.478,4,506,430.859,3.579,5,0.416,0.62,1.0,0.4716349119320129,0.5592574189568912,0.45707113974367763,0.45445822767459393,0.48560542457679384
EOS-3-23671,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cc(F)ncc5F)n4)n23)cc1,XUBXRMOXTPWTRM-UHFFFAOYSA-N,3,1,0.489,4,539,431.406,3.809,5,0.391,0.7,1.0,0.8973425399218696,0.8088033719416079,0.6717240079501062,0.6277756836406003,0.751411400863546
EOS-3-23672,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ncc(F)cn5)ccn4)n23)c1F,XTIVFLVZWKBKQL-UHFFFAOYSA-N,3,1,0.478,18,949,446.421,3.246,5,0.392,0.65,1.0,0.7641011582482352,0.5884791995065451,0.44994345829621,0.40357069426358716,0.5515236275786444
EOS-3-23673,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)cn1,ZCFVIASXTBVORF-UHFFFAOYSA-N,3,1,0.271,94,165,419.412,2.49,6,0.457,0.67,1.0,0.11559351655129875,0.14081454321156878,0.22283428140634637,0.2278802001233637,0.1767806353231444
EOS-3-23674,OCc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c(F)c2)nc1,LLJKJLKCOOOULE-UHFFFAOYSA-N,3,1,0.539,35,0,460.444,3.64,5,0.396,0.71,1.0,0.8395243643341787,0.8088119388664246,0.8559385922829141,0.8183726269618258,0.8306618806113357
EOS-3-23675,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cn2)nc1,DVZUSEQCNXJUDX-UHFFFAOYSA-N,3,1,0.484,65,263,449.837,2.847,5,0.36,0.68,1.0,0.8533171132890138,0.8887756151052019,0.23720101432389828,0.26923274621341925,0.5621316222328833
EOS-3-23676,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,LGZPSTUNHLLGAZ-UHFFFAOYSA-N,3,1,0.535,72,889,447.861,4.057,5,0.362,0.72,1.0,0.9673086148995956,0.9609605236104448,0.7041069837571106,0.7353933931875813,0.8419423788636831
EOS-3-23677,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)c(F)c2)c1,CDEAWDRESWDNQR-UHFFFAOYSA-N,3,1,0.321,64,27,448.465,4.455,6,0.396,0.72,1.0,0.24777259954766637,0.27332773627578644,0.5567301761359742,0.6039596326502639,0.4204475361524227
EOS-3-23678,Clc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,JVIVZJGNCDOVSA-UHFFFAOYSA-N,3,1,0.35,9,834,451.881,4.354,6,0.424,0.69,1.0,0.3037488862997738,0.4326982386402577,0.5795952984716606,0.6741827153724899,0.4975562846960455
EOS-3-23679,Cc1nnccc1CCOc1cncc2nnc(-c3ccc(-c4cncn4C)cc3Cl)n12,MCLZUPBRLZYHIN-UHFFFAOYSA-N,3,1,0.528,26,460,446.902,3.565,5,0.393,0.67,1.0,0.5219570283051196,0.612029675827565,0.39926153108080326,0.39447262010828593,0.48193021383044343
EOS-3-23680,Cc1ncc(CCOc2cncc3nnc(-c4cc(-c5ncccc5F)ncn4)n23)cn1,INULUNDZPBNNEI-UHFFFAOYSA-N,3,1,0.417,18,194,429.419,2.502,5,0.401,0.63,0.277,0.6888150229593585,0.5084384209444178,0.17198101569460628,0.1606641080117881,0.38247464190254266
EOS-3-23681,Cc1nc(-c2ncccc2F)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,XUHLXPQMIXNHMK-UHFFFAOYSA-N,3,1,0.411,18,330,429.419,2.502,5,0.401,0.63,0.855,0.6089027482694812,0.4548094715920773,0.10386539647728052,0.11579912274689877,0.32084418477143445
EOS-3-23682,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)cn1,JKJWXIDICFRZAL-UHFFFAOYSA-N,3,1,0.325,86,812,422.412,2.699,6,0.421,0.66,1.0,0.21465286820642862,0.09110924542526215,0.12335515043519978,0.11580768967171544,0.13623123843465149
EOS-3-23683,c1cncc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5cnnnc5)cnn4)n23)c1,JIYQKGSXBKUTLL-UHFFFAOYSA-N,3,1,0.229,86,953,432.411,1.952,6,0.402,0.61,0.953,0.0879052155438284,0.0447621821670893,0.1147539579192653,0.15250839558632034,0.09998243780412583
EOS-3-23684,Cc1ccc(COc2cncc3nnc(-c4cncc(-c5cncn5C)c4)n23)c(Cl)n1,UDMWABHNNZEFTK-UHFFFAOYSA-N,3,1,0.467,2,328,432.875,3.523,5,0.392,0.72,1.0,0.47678363374683025,0.43270680556507435,0.5021245973545336,0.4449061065040093,0.46413028579261184
EOS-3-23685,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)cn2)cc1Cl,ISUOIWZPFHZLSZ-UHFFFAOYSA-N,3,1,0.308,94,151,469.871,4.289,6,0.379,0.75,1.0,0.025143924336920018,0.25267288054280035,0.7906243574806388,0.8242152696867933,0.4731641080117881
EOS-3-23686,Fc1cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)ccc1Cl,XGJZFXDRKPYQJN-UHFFFAOYSA-N,3,1,0.271,10,871,469.871,4.289,6,0.379,0.75,0.531,0.033616612980604484,0.227614625454047,0.6438558015214858,0.735401960112398,0.4101222500171338
EOS-3-23687,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5Cl)n34)ccn2)cn1,WKYNXNHQTGVDOZ-UHFFFAOYSA-N,3,1,0.478,16,879,472.896,3.283,5,0.398,0.68,0.995,0.6089113151942979,0.49947741758618325,0.4710437941196628,0.37230141868274963,0.48793348639572337
EOS-3-23688,COc1ncc(-c2nnc3cncc(OCc4cccc(F)n4)n23)cc1-c1cccnn1,WAJLRPALCCGYSU-UHFFFAOYSA-N,3,1,0.462,4,875,430.403,2.765,5,0.375,0.69,1.0,0.539870468096772,0.5128675210746351,0.3429340004112124,0.25730758686861765,0.4132448941128093
EOS-3-23689,N#Cc1nc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)ncc1F,CELDSFSHIOJZDN-UHFFFAOYSA-N,3,1,0.379,97,503,424.399,3.233,5,0.422,0.66,1.0,0.712810979370845,0.6257453224590501,0.4606092796929614,0.4821465286820643,0.5703280275512301
EOS-3-23690,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(N)=O)cc5)n34)cc2)n1C,GLXKHAGDZRTAEI-UHFFFAOYSA-N,3,1,0.382,61,269,410.441,2.661,5,0.487,0.83,1.0,0.09759440751147969,0.0315091494757042,0.16237749297512166,0.12040812829826605,0.1029722945651429
EOS-3-23691,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5c[nH]nn5)nc4)n23)ccc1Cl,ANJXMIXWTAEBRJ-UHFFFAOYSA-N,3,1,0.578,59,391,422.811,3.343,5,0.462,0.66,1.0,0.8063446645192242,0.8519635391679803,0.7246076348433966,0.7484493866081832,0.7828413062846961
EOS-3-23692,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nn5)nn4)n23)cc1,LCTDYKOEYHJCMH-UHFFFAOYSA-N,3,1,0.333,98,890,440.406,1.764,6,0.402,0.58,1.0,0.004240627784250566,0.12990028099513398,0.0987338085120965,0.13549448290041807,0.09209230004797478
EOS-3-23693,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6COC6)cn5)n34)nc2)cn1,DNELYPMTMUEEMT-UHFFFAOYSA-N,3,1,0.343,33,53,469.465,1.903,6,0.396,0.7,1.0,0.2740045233363032,0.10044719347543006,0.1592762661914879,0.08823932561167844,0.15549182715372492
EOS-3-23694,Cc1nc(C)n(C)c1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4)n23)ncn1,FRXNFSNOWXWDNI-UHFFFAOYSA-N,3,1,0.523,4,463,430.447,3.317,5,0.422,0.65,1.0,0.6888235898841751,0.6647076965252553,0.212528270851895,0.1903056678774587,0.439091306284696
EOS-3-23695,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4nc(Cl)ccc4F)n23)c1,YOFXNQWTRGXUAX-UHFFFAOYSA-N,3,1,0.462,4,79,436.838,3.353,5,0.39,0.68,1.0,0.4618257830169282,0.5498166678089234,0.5330511959427044,0.5670276197656089,0.5279303166335412
EOS-3-23696,CCc1nc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc(C(F)(F)F)n1,OTRBZBXGZKNXHZ-UHFFFAOYSA-N,3,1,0.429,68,455,435.36,4.086,4,0.44,0.65,0.944,0.34601809334521283,0.5402645466383387,0.9140480433143718,0.794642245219656,0.6487432321293949
EOS-3-23697,Cc1cncc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1,RIUBNSOYQATLOK-UHFFFAOYSA-N,3,1,0.617,35,393,442.91,4.832,5,0.374,0.77,1.0,0.7284027825371805,0.8351980673017614,0.7776540333082037,0.7713487766431362,0.7781509149475705
EOS-3-23698,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccc(Cl)nn5)n4)n23)cc1,NNLNXNJTZZPENC-UHFFFAOYSA-N,3,1,0.423,14,740,477.315,3.64,5,0.41,0.7,0.999,0.2553714618600507,0.2630217257213351,0.4097817147556713,0.4760468782125968,0.3510554451374135
EOS-3-23699,Cn1ncnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)n1,SHYHQKBWPNRGAW-UHFFFAOYSA-N,3,1,0.43,33,760,428.416,1.055,5,0.418,0.61,0.691,0.2553800287848674,0.09727743129326297,0.030601055445137415,0.012953190322801728,0.09905292646151738
EOS-3-23700,Cc1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(C(C)(C)N)nc5)n34)cn2)s1,SRSVHYKFVLVWSF-UHFFFAOYSA-N,3,1,0.37,50,974,447.503,3.408,5,0.445,0.61,0.98,0.15925913234185457,0.26303029264615174,0.2338513467205812,0.13791892262353506,0.19851492358303063
EOS-3-23701,Cc1cnc(-c2cnc(Cc3cncc4nnc(-c5ccc(CO)c(F)c5)n34)cn2)cn1,JYVOONLLJDZJSK-UHFFFAOYSA-N,3,1,0.357,85,674,428.431,2.569,5,0.454,0.56,1.0,0.4156329244054554,0.4721574943458296,0.4464224521965595,0.4035792611884038,0.4344480330340621
EOS-3-23702,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6F)cn5)n34)cn2)n(C)n1,GZMHWLOPUBHTII-UHFFFAOYSA-N,3,1,0.333,70,72,463.48,4.158,6,0.387,0.72,1.0,0.13212768144746762,0.23229216640394765,0.4206188746487561,0.44178774587074227,0.3067066170927284
EOS-3-23703,c1ccc(-n2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)n2)cc1,LLOOTZBTNUDPLJ-UHFFFAOYSA-N,3,1,0.265,10,952,419.412,2.286,6,0.423,0.69,0.984,0.008618326365567816,0.01782777054348571,0.039870468096771985,0.07199643615927627,0.034578250291275446
EOS-3-23704,Fc1cncc(F)c1CCOc1cncc2nnc(-c3cc(-c4ccccn4)ncn3)n12,IJHTWLOMVVOJGI-UHFFFAOYSA-N,3,1,0.494,18,481,432.394,2.938,5,0.403,0.63,1.0,0.6734973613871564,0.5173223219793023,0.4742992255499966,0.48527345624014806,0.5375980912891509
EOS-3-23705,Cn1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)nc2)n1,GWEDJZACXXGUJQ-UHFFFAOYSA-N,3,1,0.341,14,81,435.413,4.254,5,0.413,0.68,1.0,0.27401309026111986,0.432715372489891,0.89988691659242,0.8662103351380989,0.6182064286203824
EOS-3-23706,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)c2)nn1,ZLHNBXRIVNBLSA-UHFFFAOYSA-N,3,1,0.54,37,161,446.421,3.246,5,0.392,0.63,1.0,0.8751542046467,0.8887841820300185,0.5264375299842369,0.5042663285587006,0.698660561304914
EOS-3-23707,COCC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1,HJGDSZRNCOPGEL-UHFFFAOYSA-N,3,1,0.364,0,901,463.488,4.647,5,0.416,0.74,1.0,0.12625933794805017,0.084923925707628,0.42794359536700705,0.5829706668494278,0.30552438146802824
EOS-3-23708,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)cc1F,URRBAHXTXWPUJP-UHFFFAOYSA-N,3,1,0.688,57,198,429.43,4.753,5,0.39,0.81,1.0,0.9083510383112878,0.7842248646425879,0.8977623192378864,0.9024826948118704,0.8732052292509082
EOS-3-23709,Cn1cc(-c2nnc3cncc(Cc4ccc(Cl)c(F)c4)n23)c(=O)c2cnccc21,MRYAGZXRZGBECH-UHFFFAOYSA-N,3,1,0.364,14,81,420.835,3.422,5,0.447,0.7,1.0,0.3214395860461929,0.3240267973408265,0.7776626002330204,0.8546192858611473,0.5694370673702968
EOS-3-23710,Cc1cnc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5F)cc4C)n23)cn1,LCUGHUZSQIZJLK-UHFFFAOYSA-N,3,1,0.289,50,155,415.407,4.205,5,0.439,0.79,0.995,0.27658316770612024,0.3380936878897951,0.7426924131313823,0.7354105270372148,0.5231949489411281
EOS-3-23711,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)cnc5F)cnn4)n23)nn1,RPJWWPLPHJIFMY-UHFFFAOYSA-N,3,1,0.411,53,587,433.382,2.599,5,0.386,0.64,0.999,0.5949900623672126,0.5310037009115208,0.3992700980056199,0.3915512987458022,0.4792037900075389
EOS-3-23712,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4cccc(-c5c[nH]nn5)n4)n23)cc1,YDVOHLXWERQZFG-UHFFFAOYSA-N,3,1,0.336,74,423,447.409,2.633,5,0.41,0.67,0.992,0.11835206634226578,0.1266791172640669,0.4639589472962785,0.37886368309231716,0.2719634534987321
EOS-3-23713,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c(Cl)n1,XKYMNAZWKVJYRO-UHFFFAOYSA-N,3,1,0.473,18,367,444.886,3.622,5,0.391,0.66,0.998,0.6673891439928723,0.6552840792269207,0.16238605989993832,0.21047220889589474,0.4238828730039065
EOS-3-23714,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)ncn1,RKVPKDJDDCQPLN-UHFFFAOYSA-N,3,1,0.5,75,530,444.886,3.622,5,0.391,0.65,1.0,0.8037231855253238,0.6938952093756425,0.4245339592899733,0.410098690973888,0.5830627612912069
EOS-3-23715,c1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(C6CCOCC6)c5)n34)cn2)cn1,CNCDTOKJRVERDQ-UHFFFAOYSA-N,3,1,0.3,82,974,425.456,2.858,6,0.432,0.7,1.0,0.025152491261736687,0.014803646083201973,0.0357412103351381,0.09403913371256253,0.042434120348159826
EOS-3-23716,Cc1ccc(-c2nnc3cncc(Cn4ccnc4-c4cc(F)c(F)cc4F)n23)cn1,PPKWGEMEJMTYBW-UHFFFAOYSA-N,3,1,0.361,73,81,421.386,3.824,5,0.413,0.73,1.0,0.359708039202248,0.4636762387773285,0.8116818586800082,0.8165478719758755,0.612903502158865
EOS-3-23718,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)nc2)n1C,KLIGFWIGVMZTNJ-UHFFFAOYSA-N,3,1,0.266,99,813,449.482,2.753,6,0.403,0.6,0.994,0.07099410595572614,0.023901720238503187,0.09612946336782949,0.07599719004866014,0.06675561990267974
EOS-3-23719,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,QQWQKJNZPPZVDW-UHFFFAOYSA-N,3,1,0.342,69,152,435.422,4.709,6,0.396,0.74,1.0,0.34349941744911244,0.41932526900143924,0.7522531012267837,0.7586782948392845,0.568439020629155
EOS-3-23720,COC1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)cn2)C1,GZVKJYPBVVYXCI-UHFFFAOYSA-N,3,1,0.295,63,829,484.52,2.001,6,0.44,0.84,1.0,0.09760297443629634,0.007324720718250977,0.002947022136933726,0.0070934137482009454,0.028742032759920495
EOS-3-23721,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccn(-c6ccccc6)n5)n34)nc2)cn1,HHYLBIAGXSHDLX-UHFFFAOYSA-N,3,1,0.296,30,301,434.438,4.24,6,0.386,0.72,0.999,0.015420464670002056,0.11330614762524845,0.6080631896374478,0.6455520526351861,0.34558546364197107
EOS-3-23723,Fc1cc(-c2ncc(Cl)nn2)ccc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,BHFXYIVWIBRMNF-UHFFFAOYSA-N,3,1,0.551,13,145,454.252,4.882,5,0.382,0.78,1.0,0.8828130354328011,0.9681053389075458,0.8301607155095607,0.8879531903228017,0.8922580700431773
EOS-3-23724,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)c(F)c1,AFUKRVBYOHYCPY-UHFFFAOYSA-N,3,1,0.477,73,79,438.373,2.978,5,0.416,0.61,1.0,0.6064183400726475,0.5782245905009937,0.7971352203413062,0.7759406483448701,0.6894296998149544
EOS-3-23725,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cc5F)nc4)n23)ccc1F,KIFOOANUCTWVCA-UHFFFAOYSA-N,3,1,0.478,73,71,449.396,3.948,5,0.401,0.7,1.0,0.7191676375848125,0.8281817558769105,0.7522616681516003,0.7192875745322459,0.7547246590363922
EOS-3-23726,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)O)nc4)n23)nc1,IYZRRBSTRAWSSM-UHFFFAOYSA-N,3,1,0.279,63,108,419.376,1.787,5,0.5,0.59,0.996,0.19831574258104312,0.12668768418888357,0.3211054759783428,0.19844424645329312,0.21113828730039064
EOS-3-23727,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4F)c3)n12,GSLLATPUWBAPTK-UHFFFAOYSA-N,3,1,0.552,75,496,431.406,3.543,5,0.38,0.69,1.0,0.8344698786923446,0.7884740593516552,0.7272890823110136,0.7000633952436434,0.7625741038996641
EOS-3-23728,CC#Cc1cc(-c2cncc3nnc(-c4ccc(C(N)=O)s4)n23)cc(-c2nnc(C)o2)n1,RAVWPDBPLBREHU-UHFFFAOYSA-N,3,1,0.26,50,60,442.464,2.744,5,0.419,0.62,0.997,0.06684771434445891,0.03151771640052087,0.05877767116715784,0.03437906928928792,0.047880542800356383
EOS-3-23729,COc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)cc1F,DSXNDFLURAPVCK-UHFFFAOYSA-N,3,1,0.365,61,121,449.396,4.396,5,0.393,0.74,0.994,0.46183434994174494,0.664716263450072,0.9065348502501542,0.87538551161675,0.7271177438146802
EOS-3-23730,Fc1cc(-c2cncnn2)c(Cl)cc1Cc1cncc2nnc(-c3cccc(Cl)c3)n12,BYTPOZQSCRUNIS-UHFFFAOYSA-N,3,1,0.412,45,358,452.28,4.68,5,0.394,0.72,1.0,0.3316427935028442,0.49479130971146595,0.9054040161743541,0.9488126242204098,0.6701626859022685
EOS-3-23731,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5c[nH]nn5)cn4)n23)c(F)c1F,IPWVUJLLJIZWPD-UHFFFAOYSA-N,3,1,0.444,51,756,425.334,2.363,5,0.426,0.65,1.0,0.5831505722705778,0.6939037763004592,0.6582225344390378,0.6455606195600028,0.6452093756425195
EOS-3-23732,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nc1,UKQPOUJVIKQBGF-UHFFFAOYSA-N,3,1,0.449,18,181,459.897,3.411,5,0.394,0.67,1.0,0.5297957645123706,0.48535055856349807,0.5264460969090535,0.5107771914193681,0.5130924028510726
EOS-3-23733,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)[nH]2)nc1,KSBRBWKYMMKZOM-UHFFFAOYSA-N,3,1,0.323,42,977,435.426,3.84,6,0.448,0.64,0.996,0.23692687272976493,0.2575988623123843,0.5127218833527517,0.5274227263381537,0.3836675861832637
EOS-3-23734,Fc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)ccn1,OTYDBWAXFPUDRF-UHFFFAOYSA-N,3,1,0.62,59,884,434.381,4.245,5,0.385,0.75,1.0,0.8598622438489479,0.8833270509218011,0.9555804948255774,0.9481187033102597,0.9117221232266466
EOS-3-23735,Fc1cc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)ccn1,PJJZVVJSCGRRHW-UHFFFAOYSA-N,3,1,0.472,59,884,434.381,4.245,5,0.385,0.75,1.0,0.8116818586800082,0.8421372764032623,0.9509886231238435,0.945094578849976,0.8874755842642725
EOS-3-23736,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)nc2)no1,UODQMHDQAJHKBI-UHFFFAOYSA-N,3,1,0.452,65,904,434.847,3.215,5,0.397,0.72,1.0,0.5692807209923926,0.5833733123158111,0.20176821328216024,0.2278887670481804,0.39557775340963613
EOS-3-23738,NC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnnc(F)c5)c4)n23)cc1,WFFZPVQQKRCLMK-UHFFFAOYSA-N,3,1,0.392,96,139,412.388,2.548,5,0.481,0.74,1.0,0.16208621753135494,0.12669625111370023,0.5021331642793503,0.4383524090192584,0.307317010485916
EOS-3-23739,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)cn1,SFWYVFNVZNCIDO-UHFFFAOYSA-N,3,1,0.435,2,419,428.431,3.373,5,0.42,0.68,1.0,0.6459546981015695,0.5931310396819958,0.5432201357000891,0.41010725789870467,0.5481032828455897
EOS-3-23740,c1ccc(-c2cnccc2-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)cc1,OIZRCHJHMYHWRO-UHFFFAOYSA-N,3,1,0.416,80,518,459.473,3.679,6,0.368,0.71,1.0,0.43869508601192514,0.29901137687615653,0.33567781509149475,0.3335360838873278,0.35173009046672604
EOS-3-23741,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)cs1,KBQVULWOHMIKPV-UHFFFAOYSA-N,3,1,0.5,7,99,436.888,3.641,5,0.411,0.68,1.0,0.4644472620108286,0.5220426975532863,0.2193732437804126,0.22194332122541294,0.35695163114248507
EOS-3-23742,c1ccc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)cn2)cc1,KQRIZPPCTZSAEG-UHFFFAOYSA-N,3,1,0.292,30,220,428.459,4.372,6,0.411,0.71,1.0,0.05798094715920773,0.04477074909190597,0.3619868412034816,0.48215509560688097,0.23672340826536908
EOS-3-23743,Cn1nnnc1-c1ccc(Cl)c(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,BVJQHNTYMPRPEX-UHFFFAOYSA-N,3,1,0.549,34,258,471.283,4.007,5,0.382,0.77,1.0,0.7523045027756836,0.9287146186005072,0.7220889589472963,0.830332054005894,0.8083600335823453
EOS-3-23744,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)F)nc5)n34)nc2)n1C,IVZQGVGCWZQVIA-UHFFFAOYSA-N,3,1,0.489,46,168,448.437,3.807,5,0.39,0.7,0.893,0.5831591391953944,0.41469912960043864,0.6314337605373175,0.4544667945994106,0.5209397059831403
EOS-3-23745,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5F)cn4)n23)cc1,VKCAUOGTILQSON-UHFFFAOYSA-N,3,1,0.484,89,637,481.491,3.859,6,0.376,0.88,1.0,0.6064269069974642,0.33316770612021107,0.34294256733602907,0.3944811870331026,0.4192545918717017
EOS-3-23746,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)c1,RZQCKYZIZGPGDX-UHFFFAOYSA-N,3,1,0.519,16,980,419.395,3.444,5,0.434,0.69,1.0,0.6286066753478171,0.4853591254883147,0.7166917963127956,0.6741912822973065,0.6262122198615585
EOS-3-23747,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccc2F)ccn1,HNBYIWZANAWGGM-UHFFFAOYSA-N,3,1,0.612,11,275,430.418,4.148,5,0.377,0.74,1.0,0.9303337673908574,0.930162428894524,0.8226903570694264,0.8143461722979919,0.8743831814131999
EOS-3-23748,Cc1cc(C#N)cnc1-c1cnnc(COc2cncc3nnc(-c4ccccn4)n23)c1,IKGNMKKKOISNTF-UHFFFAOYSA-N,3,1,0.483,33,587,421.424,2.797,5,0.421,0.67,1.0,0.3526231923788637,0.30398876019464055,0.30981426906997467,0.27815091494757044,0.31114428414776235
EOS-3-23749,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5ccoc5)n4)n23)cn1,URDSHMXWSWFCJZ-UHFFFAOYSA-N,3,1,0.371,80,34,451.45,3.216,6,0.376,0.67,1.0,0.4505260091837434,0.2630388595709684,0.15928483311630456,0.12502570077445,0.2494688506613666
EOS-3-23750,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)nc6)n5)n34)cn2)cn1,RJUNFTYNIOJBMI-UHFFFAOYSA-N,3,1,0.292,10,871,454.404,3.169,6,0.374,0.64,0.908,0.025161058186553356,0.1762045096292235,0.49169008292783223,0.5240130902611199,0.30426718525118224
EOS-3-23751,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5nccc(Cl)n5)n4)n23)cc1,LIUSXJGZZXAJLR-UHFFFAOYSA-N,3,1,0.542,4,32,452.265,3.319,5,0.37,0.64,1.0,0.7840449592214379,0.9196079775203893,0.23385991364539785,0.40674045644575424,0.5860633267082448
EOS-3-23752,Cc1cncc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)nc(C)n4)n23)n1,UIAGRWJGWIIUKN-UHFFFAOYSA-N,3,1,0.357,7,330,429.419,2.768,5,0.389,0.65,1.0,0.4767922006716469,0.4193338359262559,0.19500034267699268,0.155069906106504,0.31154907134534987
EOS-3-23753,Cc1ccncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccnn5)cn4)n23)nc1,LATOTEFRANBJKF-UHFFFAOYSA-N,3,1,0.271,70,392,444.462,3.471,6,0.402,0.63,1.0,0.12930059625796725,0.0814885888561442,0.2953532999794394,0.2868035090124049,0.19823649852648892
EOS-3-23754,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nc2)cn1,CAXCANJISZZLJL-UHFFFAOYSA-N,3,1,0.385,93,74,447.477,5.06,6,0.378,0.84,1.0,0.14834487012541978,0.3039973271194572,0.8448187238708793,0.8460266602700295,0.5357968953464465
EOS-3-23755,Cn1cnnc1-c1cnc(Cl)c(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)c1,ZMWKIZHICQSTRU-UHFFFAOYSA-N,3,1,0.303,86,780,467.884,3.154,6,0.359,0.71,1.0,0.18155883763964087,0.2478754026454664,0.15929340004112125,0.2219518881502296,0.20266988211911452
EOS-3-23756,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4F)n23)c1F,UWGFZAHOEJXWPU-UHFFFAOYSA-N,3,1,0.462,16,79,434.41,3.147,5,0.419,0.63,1.0,0.5116852854499349,0.49479987663628267,0.637610513330135,0.5703430196696594,0.5536096737715029
EOS-3-23757,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(-c5cncnn5)n4)n23)ccc1Cl,HGILGWSNOAELJV-UHFFFAOYSA-N,3,1,0.489,73,756,453.8,2.944,5,0.396,0.6,1.0,0.902028647796587,0.9457884997601261,0.5021417312041669,0.6009355081899801,0.737723596737715
EOS-3-23758,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)s4)n23)cc1,SNQVBOIPYHJIIJ-UHFFFAOYSA-N,3,1,0.654,27,996,453.434,3.885,5,0.366,0.75,1.0,0.8973511068466863,0.8725841272016996,0.5330597628675211,0.4852820231649647,0.697069255020218
EOS-3-23759,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)ccn1,NGQCWYLPSZTRPG-UHFFFAOYSA-N,3,1,0.517,4,401,447.861,4.323,5,0.396,0.72,1.0,0.8751627715715167,0.9318672469330409,0.7636985127818519,0.745767939140566,0.8291241176067439
EOS-3-23761,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)c1,ULCYHQAIOKRTQH-UHFFFAOYSA-N,3,1,0.547,37,931,448.437,3.364,5,0.377,0.66,1.0,0.4317387430607909,0.36723836611609895,0.3655506819272154,0.38196490987595094,0.38662317524501405
EOS-3-23762,Cc1ncc(Cl)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)n1,KOVNRGHZOUKZNO-UHFFFAOYSA-N,3,1,0.373,50,243,450.84,4.605,5,0.394,0.74,0.697,0.36202110890274825,0.49948598451099996,0.7566307998081009,0.7271520115139469,0.586322476183949
EOS-3-23763,Fc1cc(-c2nccs2)cnc1Oc1cncc2nnc(-c3ccc(Cl)cn3)n12,GAIRWUPTCLAOMI-UHFFFAOYSA-N,3,1,0.36,46,110,425.836,4.29,5,0.424,0.75,1.0,0.6645620588033719,0.7500342676992666,0.47782023164964704,0.5374888629977383,0.607476355287506
EOS-3-23764,Cn1ncnc1-c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cn4)n23)cc1,XMMDOWPPAGPWSA-UHFFFAOYSA-N,3,1,0.337,98,882,447.466,2.425,6,0.392,0.6,1.0,0.08322767459392777,0.02864779658693715,0.16549585360838873,0.1550784730313207,0.10811244945514359
EOS-3-23765,Fc1cccc(-c2ncnnc2-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)c1,RCCQOIUTEXSVNG-UHFFFAOYSA-N,3,1,0.426,27,52,451.372,3.089,5,0.384,0.66,1.0,0.5016191487903502,0.5357754780344047,0.5330683297923378,0.537497429922555,0.5269900966349119
EOS-3-23766,Fc1cc(-c2ncnn2C(F)F)ccc1-c1cncc2nnc(-c3ncc(Cl)cn3)n12,DHOBBSDCKMOGHQ-UHFFFAOYSA-N,3,1,0.305,50,243,443.78,3.694,5,0.417,0.63,0.999,0.26091426221643477,0.4327239394147077,0.6409087793845522,0.7139932149955452,0.5121350490028099
EOS-3-23767,OCc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)nc1,YAHZNSJFLZECEF-UHFFFAOYSA-N,3,1,0.511,13,573,448.845,4.325,5,0.427,0.67,1.0,0.8296209992461107,0.7544548009046672,0.8823846891919677,0.8768161880611336,0.8358191693509698
EOS-3-23768,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cn2)c1,LZVHNYCBJZVRRH-UHFFFAOYSA-N,3,1,0.33,42,977,419.408,3.36,6,0.423,0.73,1.0,0.22291995065451306,0.12670481803851688,0.29536186690425603,0.30557364128572406,0.2376400692207525
EOS-3-23769,Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cccc(F)c5)c(F)c4)n23)nc1C,AMURWCNDDRXGDX-UHFFFAOYSA-N,3,1,0.536,4,92,444.445,4.722,5,0.39,0.78,1.0,0.7314269069974642,0.7318466863134809,0.737492289767665,0.7271605784387636,0.7319816153793434
EOS-3-23770,Cc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C)c(F)c5)n34)cn2)cn1,ZORGVTVGTQHVRL-UHFFFAOYSA-N,3,1,0.4,85,580,425.471,4.184,5,0.42,0.73,1.0,0.3849976012610513,0.44589986978274276,0.5264546638338702,0.4760554451374135,0.45835189500376944
EOS-3-23771,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6F)n5C)n34)nc2)nn1,DLXREFNDLULZJO-UHFFFAOYSA-N,3,1,0.264,99,754,454.433,1.978,6,0.367,0.67,0.616,0.04961962853813995,0.16371393324652184,0.044325269001439245,0.06648790350215887,0.08103668357206498
EOS-3-23772,Cc1nc(-c2ccccn2)nc(-c2cncc3nnc(-c4cnc(-c5ccccc5)cn4)n23)n1,FYGGFAKBIBLMBK-UHFFFAOYSA-N,3,1,0.344,30,77,444.462,3.471,6,0.402,0.6,0.999,0.1235350558563498,0.06364368446302515,0.06668494277294222,0.0940477006373792,0.0869778459324241
EOS-3-23773,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4nncc(-c5ccccc5)n4)n23)cn1,CPHMNDTXPGDDTC-UHFFFAOYSA-N,3,1,0.291,10,77,444.462,3.471,6,0.402,0.6,0.974,0.05631039681995751,0.07450654513055993,0.12045952984716606,0.16296861078747174,0.10356127064628881
EOS-3-23774,Cc1n[nH]c(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)n1,AITSWEPTCAJVBH-UHFFFAOYSA-N,3,1,0.427,51,48,420.824,2.302,5,0.454,0.66,1.0,0.4618429168665616,0.4994945514358166,0.10637550544856418,0.12041669522308272,0.29703241724350626
EOS-3-23775,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cnnn5C)cn4)n23)cc1,POXHSUMLBGLQME-UHFFFAOYSA-N,3,1,0.306,98,890,436.443,1.839,6,0.406,0.59,1.0,0.0407185936536221,0.048308889041189775,0.06473168391474196,0.06649647042697553,0.055063909259132335
EOS-3-23776,Clc1cnc(COc2cncc3nnc(-c4nccnc4-c4cccc(Cl)c4)n23)nc1,HUQKVFKBQYPMRQ-UHFFFAOYSA-N,3,1,0.404,51,196,451.277,3.924,5,0.396,0.69,1.0,0.5476835035295731,0.5448392844904393,0.33935302583784527,0.5144352683160852,0.4865777705434857
EOS-3-23777,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)cc2F)n[nH]1,VVFAQEAMCGAQAX-UHFFFAOYSA-N,3,1,0.539,37,460,433.451,2.687,5,0.438,0.67,1.0,0.4816153793434309,0.5357840449592214,0.14087451168528545,0.11098451099993147,0.3173146117469673
EOS-3-23778,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc(-c2cnc(C#N)cn2)n1,JAECYPARNVVJFU-UHFFFAOYSA-N,3,1,0.396,7,128,456.857,2.846,5,0.387,0.64,1.0,0.6035484202590639,0.7318552532382976,0.2479525049688164,0.2664656294976355,0.46245545199095334
EOS-3-23779,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4cc[nH]n4)c(F)c3)n12,QPQOOFIXPCCZRD-UHFFFAOYSA-N,3,1,0.366,62,648,413.416,3.395,5,0.469,0.81,1.0,0.23124700157631417,0.25760742923720104,0.655172709204304,0.595187101637996,0.43480356041395385
EOS-3-23780,Cn1nccc1-c1cc(-c2nnc3cncc(Cc4ccc(F)cc4F)n23)ccc1F,NNMWRCUHUHEUTH-UHFFFAOYSA-N,3,1,0.364,45,358,420.398,4.2,5,0.437,0.74,1.0,0.36659584675484885,0.5040692892879172,0.937641354259475,0.9393804399972586,0.6869217325748749
EOS-3-23781,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4cc(F)c(Cl)cc4F)n23)nc1,DLYIDDUEZFSHTK-UHFFFAOYSA-N,3,1,0.316,22,844,424.802,3.58,5,0.411,0.67,1.0,0.22292851757932972,0.4459084367075595,0.7925690494140224,0.8422657802755124,0.575917945994106
EOS-3-23782,Cc1nnc(-c2cnc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)nc2)s1,DTJCZUHFCCXXQN-UHFFFAOYSA-N,3,1,0.338,42,693,457.454,3.869,6,0.388,0.7,1.0,0.3010845726817901,0.3433280789527791,0.10915118908916456,0.17382290453018984,0.23184668631348088
EOS-3-23783,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)ccc1F,QOSDWWIPUKMGRV-UHFFFAOYSA-N,3,1,0.617,88,70,450.424,4.231,5,0.387,0.7,1.0,0.9144249880063052,0.8613186210677816,0.9236772668083065,0.9105698718388048,0.9024976869302995
EOS-3-23784,CCn1cc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c(-c2ccc(C(F)F)nn2)n1,OFGBABMRPWWFLL-UHFFFAOYSA-N,3,1,0.356,50,974,462.424,2.563,5,0.406,0.6,0.925,0.10521897059831403,0.18040230278939073,0.16239462682475497,0.12262696182578302,0.1426607155095607
EOS-3-23785,Cc1ccc(-c2nnc3cncc(CCCCc4ccc(-c5nnn(C)n5)cc4F)n23)cc1,KDCLKSNCUVWKBI-UHFFFAOYSA-N,3,1,0.457,61,740,442.502,3.995,5,0.354,0.77,1.0,0.3781611952573504,0.4147076965252553,0.18811253512439174,0.2544033993557673,0.3088462065656912
EOS-3-23786,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)n4)n23)cn1,AFXFEKNIYYXWBG-UHFFFAOYSA-N,3,1,0.429,6,502,465.481,2.356,6,0.364,0.67,1.0,0.3412805839215955,0.19329552463847577,0.06279555890617504,0.04368274964018916,0.16026360427660888
EOS-3-23787,COCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)nc1,DYDPHWUMKXOYMM-UHFFFAOYSA-N,3,1,0.284,33,432,471.456,2.221,5,0.355,0.7,0.985,0.17012199300938935,0.08813652251387842,0.17844904393119046,0.12263552875059969,0.1398357720512645
EOS-3-23788,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)cn2)nc1,DGZMKQQROWJNPY-UHFFFAOYSA-N,3,1,0.326,32,191,434.488,4.434,6,0.405,0.73,1.0,0.07904701528339388,0.15213145089438695,0.31747309985607564,0.33354465081214446,0.22054905421150023
EOS-3-23789,Fc1cncc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)c1,LWHZHZHQTFLLLK-UHFFFAOYSA-N,3,1,0.527,72,132,463.86,4.183,5,0.354,0.75,1.0,0.9358680008224248,0.9318758138578576,0.6229782057432663,0.6482934685765198,0.7847538722500171
EOS-3-23790,Fc1cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncccc6F)cc5)n34)n2)ccn1,VTVFUXQPMBVTKR-UHFFFAOYSA-N,3,1,0.337,3,289,453.416,3.774,6,0.375,0.66,1.0,0.029795764512370638,0.21694880405729558,0.5890617503940785,0.6368737577959016,0.36817001918991155
EOS-3-23791,Clc1cc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)ccn1,ILODIBQNUPLNNZ-UHFFFAOYSA-N,3,1,0.461,18,87,430.859,3.313,5,0.378,0.66,1.0,0.6035569871838805,0.5931396066068124,0.4428671783976424,0.4911589335891988,0.5326806764443834
EOS-3-23792,Fc1ccncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)nc1,WKAZWQJMAOASQU-UHFFFAOYSA-N,3,1,0.418,2,564,451.824,4.154,5,0.396,0.69,1.0,0.8510897128366801,0.7928260571585224,0.8916883695428689,0.902491261736687,0.8595238503186896
EOS-3-23793,Fc1cnc(-c2c(F)cncc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,JMFSOBLVTMPFQZ-UHFFFAOYSA-N,3,1,0.593,73,772,451.824,4.154,5,0.396,0.69,0.962,0.9729884860530464,0.9774518538825303,0.8431396066068124,0.8695942704406826,0.9157935542457679
EOS-3-23794,Cn1cncc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nn5)nc4)n23)nn1,VFMKNVXLKXPPAI-UHFFFAOYSA-N,3,1,0.318,99,312,440.406,1.764,6,0.402,0.6,0.981,0.01896717154410253,0.11613323281474881,0.11166129806044822,0.13550304982523473,0.09556618806113357
EOS-3-23795,Cc1nnc(-c2cc(F)c(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)cn2)o1,VCCXSJNJDXJWQY-UHFFFAOYSA-N,3,1,0.309,39,449,469.415,3.947,6,0.378,0.72,1.0,0.30882907271605786,0.3955263518607361,0.36555924885203206,0.4513313001165102,0.3803114933863341
EOS-3-23796,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)n4C)n23)cc1,PWPPRMVICPBIPF-UHFFFAOYSA-N,3,1,0.306,98,890,435.455,2.444,6,0.414,0.6,1.0,0.05442567336029059,0.04477931601672264,0.16875985196353918,0.16576142827770543,0.10843156740456447
EOS-3-23797,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)c(Cl)c2)cn1,OAQLVKFLXSDYEG-UHFFFAOYSA-N,3,1,0.54,16,214,454.881,4.056,5,0.39,0.7,1.0,0.7755123021040368,0.8581745596600644,0.7194846138030293,0.6741998492221233,0.7568428311973134
EOS-3-23799,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnc(F)c5)n4)n23)cc1,QYXDCMMOZDLKTO-UHFFFAOYSA-N,3,1,0.301,98,42,438.43,2.974,6,0.39,0.61,1.0,0.02420156260708656,0.1560551024604208,0.3098228359947913,0.3178072099239257,0.2019716777465561
EOS-3-23800,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cn1,TYYAWMOJJSDRCY-UHFFFAOYSA-N,3,1,0.529,27,69,432.394,3.555,5,0.401,0.66,0.999,0.7953447330546227,0.6696165444452059,0.6438643684463026,0.5208775957782195,0.6574258104310877
EOS-3-23802,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5nn[nH]n5)no4)n23)cc1,SDHKQJNRVFSSIC-UHFFFAOYSA-N,3,1,0.469,89,512,460.414,0.667,6,0.35,0.79,0.992,0.3641971078061819,0.14436981701048593,0.03847405935165513,0.025563703652936743,0.14315117195531493
EOS-3-23803,N#Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nc1,NRKDIROXKINBRD-UHFFFAOYSA-N,3,1,0.482,18,873,421.424,2.531,5,0.406,0.68,1.0,0.6430333767390858,0.43726440956754165,0.40649201562607085,0.3849976012610513,0.46794685079843745
EOS-3-23804,Fc1ncc(COc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)nc1-c1ccccn1,XWXYAMLHYNHEIU-UHFFFAOYSA-N,3,1,0.511,46,128,450.384,3.694,5,0.386,0.69,0.999,0.6286152422726338,0.6305513672812008,0.6497155780960866,0.6102734562401481,0.6297889109725173
EOS-3-23806,Cc1cccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccccn5)c4)n23)n1,TUMXJOMHDSFDAH-UHFFFAOYSA-N,3,1,0.553,24,912,429.871,4.184,5,0.387,0.73,0.997,0.5246727434720033,0.5931481735316291,0.4677712288396957,0.45133986704132684,0.5092330032211637
EOS-3-23807,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccnc(CO)c4)n23)c1,DMGZQJCHSPUKSJ-UHFFFAOYSA-N,3,1,0.463,26,448,427.468,3.141,5,0.426,0.69,1.0,0.3365773421972449,0.15606366938523747,0.4677797957645124,0.340004112123912,0.3251062298677267
EOS-3-23808,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(Cl)nn4)c3)n12,KMMFNUVYHRBWMB-UHFFFAOYSA-N,3,1,0.495,53,241,447.89,2.96,5,0.391,0.67,1.0,0.3961517373723528,0.45907580015077787,0.14088307861010213,0.1473768076211363,0.28587185593859227
EOS-3-23809,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnn2)c(F)c1,KHVCMMGGGKAWJW-UHFFFAOYSA-N,3,1,0.556,11,275,431.406,3.543,5,0.406,0.65,1.0,0.7895534918785553,0.812821259680625,0.6688626550613391,0.6945976972106093,0.7414587759577822
EOS-3-23810,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5c[nH]nn5)n4)n23)cc1,YCVBCSGISBUSRV-UHFFFAOYSA-N,3,1,0.383,52,916,455.457,2.594,6,0.403,0.69,0.998,0.12072510451648276,0.20254780344047701,0.12046809677198272,0.17645295044890685,0.15504848879446234
EOS-3-23811,FC(F)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Br)c4)n23)cn1,FVXQUFNLQSGFAK-UHFFFAOYSA-N,3,1,0.465,66,225,450.674,5.131,4,0.432,0.75,0.998,0.47931087656774723,0.6696251113700226,0.9740507847303133,0.97498457953533,0.7744928380508533
EOS-3-23812,COCc1ncc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1Cl,CEVMBLPKINEKDY-UHFFFAOYSA-N,3,1,0.466,90,555,435.246,3.753,4,0.427,0.64,1.0,0.6735059283119731,0.7364299910903982,0.8015214858474402,0.8143547392228085,0.7564530361181551
EOS-3-23813,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccccn5)n4)n23)cc1,YQZLWESDWDIZEJ-UHFFFAOYSA-N,3,1,0.528,40,415,462.477,3.018,6,0.367,0.66,1.0,0.38275306695908434,0.20255637036529367,0.14089164553491879,0.1134517853471318,0.20991321705160715
EOS-3-23814,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4F)n23)nn1C,CJTJISDQYGPXKF-UHFFFAOYSA-N,3,1,0.477,36,404,418.436,2.952,5,0.436,0.73,1.0,0.429674114179974,0.5084469878692345,0.39927866493043657,0.30212117058460697,0.40988023439106297
EOS-3-23815,N#Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ncn2)c(F)c1,VGGVAFDPIUIYIA-UHFFFAOYSA-N,3,1,0.389,44,971,445.364,4.33,5,0.406,0.71,0.996,0.8272993626207936,0.8009132341854568,0.952265094921527,0.9539870468096772,0.8836161846343636
EOS-3-23817,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cncnc5)n34)cc2)nc1C,DTBQOCBWHGKGRG-UHFFFAOYSA-N,3,1,0.255,64,495,457.501,4.384,6,0.384,0.72,1.0,0.11002501542046467,0.037437461448838326,0.32827599204989377,0.30867486806935784,0.19610333424713866
EOS-3-23818,Cc1nc(COc2cncc3nnc(-c4cncc(-c5cccnc5F)c4)n23)ccc1F,GKYYZPWJVWUIAI-UHFFFAOYSA-N,3,1,0.506,2,390,431.406,3.809,5,0.391,0.73,1.0,0.6175553423343156,0.6305599342060174,0.7375008566924817,0.6801966965937907,0.6664532074566514
EOS-3-23819,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)cc1F,HDFYPVVMTDDTMS-UHFFFAOYSA-N,3,1,0.59,84,308,431.406,3.543,5,0.406,0.66,1.0,0.755182989514084,0.6120382427523816,0.807355561647591,0.7876173668699884,0.7405485401960112
EOS-3-23820,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)cc1,SIVAORWQUIVSGW-UHFFFAOYSA-N,3,1,0.324,64,144,465.452,3.644,6,0.38,0.71,1.0,0.03765163456925502,0.167526214789939,0.3992872318552532,0.4291600986909739,0.25840629497635526
EOS-3-23821,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(C)nn5)n4)n23)cc1,LCOOYGJCLJVTPM-UHFFFAOYSA-N,3,1,0.318,74,333,412.417,1.497,5,0.47,0.72,1.0,0.026403262284970187,0.021571516688369544,0.04281749023370571,0.019138510040435885,0.027482694811870333
EOS-3-23822,Cn1nccc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)ccc1F,JZSFZQAFFBSFCS-UHFFFAOYSA-N,3,1,0.636,13,15,438.825,4.916,5,0.398,0.8,1.0,0.7253529573024468,0.7715715166883695,0.9463110821739429,0.9501918991158934,0.8483568638201632
EOS-3-23823,FCc1cc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)ccn1,KNSKSKHBHHYFTA-UHFFFAOYSA-N,3,1,0.424,18,207,428.431,3.129,5,0.389,0.65,1.0,0.45965835103831126,0.33810225481461176,0.3733808512096498,0.34968473716674664,0.3802065485573298
EOS-3-23824,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ncn4)n23)ccn1,MQZRMXUNTYEKBP-UHFFFAOYSA-N,3,1,0.489,44,130,429.871,3.918,5,0.378,0.72,0.999,0.7070797066684943,0.6939123432252758,0.5092437118771845,0.5670361866904257,0.619317987115345
EOS-3-23825,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnn5)n34)cc(=O)n2C)cn1,SMKMKUOTVAHARP-UHFFFAOYSA-N,3,1,0.458,31,779,441.455,1.667,5,0.387,0.65,0.999,0.2740216571859365,0.12671338496333356,0.07323007333287643,0.05720135700089096,0.13279161812075935
EOS-3-23826,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccn2)ncn1,RGPVMXDLJAGJFX-UHFFFAOYSA-N,3,1,0.529,24,486,430.859,3.579,5,0.39,0.69,1.0,0.6857908984990748,0.5402731135631553,0.49853505585634983,0.4513484339661435,0.5439868754711809
EOS-3-23827,Fc1ccc(Cc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)cc1F,VVJTWTHSXIRRRK-UHFFFAOYSA-N,3,1,0.394,14,358,434.837,4.771,5,0.381,0.78,1.0,0.45283051195942703,0.5977314783085463,0.9418477143444589,0.9546981015694607,0.7367769515454732
EOS-3-23828,CCc1cncc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC)cc5)n34)ncn2)n1,IGUUZMLOZDIJPC-UHFFFAOYSA-N,3,1,0.424,89,463,467.493,2.539,5,0.383,0.63,1.0,0.42968268110479063,0.16753478171475567,0.12884654924268385,0.051667123569323556,0.19443278390788843
EOS-3-23829,c1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnc6)nn5)n34)s2)ccn1,ZWOBZYVIDLHILJ-UHFFFAOYSA-N,3,1,0.269,86,165,436.464,3.224,6,0.41,0.63,0.999,0.03923651566033857,0.048317455966006444,0.14375299842368583,0.1956856966623261,0.10674816667808923
EOS-3-23830,c1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccs6)cc5)n34)cn2)nc1,KYZIAVHGLJWNFX-UHFFFAOYSA-N,3,1,0.439,28,870,450.487,4.559,6,0.377,0.83,1.0,0.4457884997601261,0.43273250633952437,0.33211397436776097,0.3021297375094236,0.3781911794942088
EOS-3-23831,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)o5)n34)nc2)n(C)n1,CQKQAILJYYKXNW-UHFFFAOYSA-N,3,1,0.245,99,601,439.443,2.346,6,0.406,0.62,0.994,0.03484168322938798,0.05576211363169077,0.03987903502158865,0.03335960523610445,0.040960609279692965
EOS-3-23832,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cc(C)n(C)n5)c(F)n4)n23)n1,RCTFWBJTTRQEIW-UHFFFAOYSA-N,3,1,0.419,4,122,430.447,3.317,5,0.395,0.72,1.0,0.35263175930368035,0.3381108217394284,0.25864402714001783,0.17110718936330616,0.28012344938660816
EOS-3-23833,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nc2F)nc1,ZRRALINIOGAUNL-UHFFFAOYSA-N,3,1,0.516,18,814,432.394,2.938,5,0.377,0.66,1.0,0.8116904256048249,0.6939209101500925,0.31358371598930845,0.32721369337262696,0.5366021862792132
EOS-3-23834,COc1cc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)ccn4)n23)ccc1Cl,RXLZTAOFBWNOEN-UHFFFAOYSA-N,3,1,0.522,4,67,448.874,3.223,5,0.39,0.68,1.0,0.4203447330546227,0.6071636625316976,0.4778287985744637,0.4005465698033034,0.47647094099102183
EOS-3-23835,Cc1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(Cl)cn5)nc4)n23)cn1,PCAWOQAFPGJGHB-UHFFFAOYSA-N,3,1,0.395,85,260,415.848,2.986,5,0.44,0.71,1.0,0.30109313960660683,0.33811938866424507,0.14998971969021999,0.1931584538414091,0.24559017545062023
EOS-3-23836,COc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cn4)n23)n1,STTANMTXPQKWPJ-UHFFFAOYSA-N,3,1,0.316,30,298,464.464,4.249,6,0.376,0.77,0.921,0.12354362278116647,0.24788396957028305,0.5055856349804674,0.5208861627030361,0.34947484750873825
EOS-3-23837,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)nc2)cs1,LRLLJLQKDZLTCD-UHFFFAOYSA-N,3,1,0.292,10,37,455.482,4.005,6,0.396,0.71,0.982,0.0038379823178671785,0.12306387499143308,0.2990285107257899,0.3496933040915633,0.19390591803166335
EOS-3-23838,Clc1ccc(OCc2cncc3nnc(-c4cccc(-c5ncc(Cl)cn5)c4)n23)nc1,FBRSTHLXZWHHCO-UHFFFAOYSA-N,3,1,0.411,14,351,450.289,4.529,5,0.389,0.71,1.0,0.49159584675484885,0.5729045301898431,0.6376190802549517,0.6972705777534096,0.5998475087382633
EOS-3-23839,Cn1cc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ncc(Cl)cn5)n34)cn2)nn1,GIAABLTVEKGVCY-UHFFFAOYSA-N,3,1,0.255,86,249,457.849,1.673,6,0.383,0.65,1.0,0.0022959358508669726,0.07787334658351039,0.02112603659790282,0.0412240422178055,0.03562984031252142
EOS-3-23840,COC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(Cl)c(F)c4)n23)nc1,FGPQAJMTZKZNQN-UHFFFAOYSA-N,3,1,0.324,96,315,450.817,4.087,5,0.377,0.75,0.991,0.4024055924885203,0.42374580220683983,0.5953498732095127,0.5765026386128436,0.4995009766294291
EOS-3-23841,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)nc1,WEBBZRLTVKKMFQ-UHFFFAOYSA-N,3,1,0.317,10,871,438.43,2.974,6,0.417,0.59,0.255,0.01806764443835241,0.1369508601192516,0.31748166678089235,0.3558100884106641,0.2070775649372901
EOS-3-23842,CCc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(C)n5)n34)ccn2)s1,KKFSUMRBFPVHON-UHFFFAOYSA-N,3,1,0.444,7,535,430.497,3.55,5,0.403,0.68,1.0,0.25538859570968403,0.2576159961620177,0.06669350969775889,0.04505345761085601,0.15618788979507914
EOS-3-23843,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cc2)nc1,BWKCIWTXFBPOIP-UHFFFAOYSA-N,3,1,0.658,59,293,450.836,4.759,5,0.384,0.77,1.0,0.9824206702761976,0.9827376464944144,0.9218353779727229,0.9254763210198067,0.9531175039407855
EOS-3-23844,Cc1nc(CCOc2cncc3nnc(-c4ccnc(-c5cccc(F)c5)c4)n23)ccc1F,QNMITGPQWLHRAB-UHFFFAOYSA-N,3,1,0.533,11,275,444.445,4.456,5,0.385,0.75,1.0,0.8711448838324994,0.8166763758481256,0.742700980056199,0.729807758207114,0.7900824994859845
EOS-3-23845,Cn1nccc1COc1cncc2nnc(-c3nccnc3-c3cccc(C#N)c3F)n12,VYDRDIJGYPSQJY-UHFFFAOYSA-N,3,1,0.389,92,662,427.403,2.572,5,0.42,0.63,1.0,0.4068089918442876,0.38158796518401755,0.409790281680488,0.38837296963881845,0.3966400520869029
EOS-3-23846,Cc1nnc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)s1,YZSNMBZHWYGJJE-UHFFFAOYSA-N,3,1,0.269,30,301,450.491,3.532,6,0.397,0.66,0.871,0.052729422246590364,0.10045576040024673,0.03179185799465424,0.06024261531080803,0.06130491398807485
EOS-3-23847,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)nc1,ZAGYJIZMDUXUJB-UHFFFAOYSA-N,3,1,0.276,64,449,447.437,3.906,6,0.375,0.69,0.898,0.27949592214378727,0.30901754506202456,0.44287574532245905,0.4911675005140155,0.3806391782605716
EOS-3-23848,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cn1C,PVMDMPHTIQPHOW-UHFFFAOYSA-N,3,1,0.44,92,617,433.863,2.918,5,0.416,0.64,1.0,0.5066822013570009,0.5729130971146598,0.16876841888835584,0.14980981426906997,0.3495433829072716
EOS-3-23849,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)cc4C)n23)c(Cl)n1,NISWECNVXWQBFS-UHFFFAOYSA-N,3,1,0.453,20,353,460.929,3.874,5,0.379,0.73,1.0,0.555368035090124,0.5266431361798369,0.18493420601740798,0.17646151737372354,0.3608517236652731
EOS-3-23850,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c(Cl)nn2)n1C,NVRZEWMKYKJQNV-UHFFFAOYSA-N,3,1,0.578,36,32,450.865,3.662,5,0.403,0.68,0.998,0.7923634432184223,0.8051452950448907,0.3771845658282503,0.43560242615310807,0.6025739325611679
EOS-3-23851,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nncn6C)c5)n34)nc2)cs1,OAPOPDFHBPWBOD-UHFFFAOYSA-N,3,1,0.258,70,899,452.507,3.476,6,0.4,0.64,0.985,0.028819135083270508,0.04110410527037215,0.13163936673291754,0.12503426769926668,0.08164921869645672
EOS-3-23852,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)c(F)c1,SWZKKFHNPBILBB-UHFFFAOYSA-N,3,1,0.282,39,527,456.38,1.959,6,0.387,0.6,0.854,0.021948461380302927,0.13695942704406827,0.09163182783907889,0.1984528133781098,0.11224813241038997
EOS-3-23853,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)c(F)c2)CC1,QPFILWHEGQSAQJ-UHFFFAOYSA-N,3,1,0.321,74,450,456.445,2.25,6,0.426,0.63,0.999,0.03632376122267151,0.17621307655404017,0.07965526694537729,0.142459392776369,0.10866287437461448
EOS-3-23855,Cc1n[nH]c(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5n[nH]c(C)n5)cn4)n23)n1,FZIRHRVHCBMRIH-UHFFFAOYSA-N,3,1,0.26,50,968,436.443,2.435,6,0.424,0.61,0.422,0.13465492426838463,0.11331471455006512,0.033145432115687753,0.026488931533136865,0.0769010006168186
EOS-3-23856,CCc1nc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)ccc1-c1nccn1C,PUZXYHWEPMIXDT-UHFFFAOYSA-N,3,1,0.365,7,535,427.472,2.827,5,0.407,0.66,0.788,0.2765917346309369,0.1004643273250634,0.044333835926255914,0.022188335275169627,0.11089455828935645
EOS-3-23857,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c(F)c2)nc1,HHMMJFLETHMEFO-UHFFFAOYSA-N,3,1,0.506,37,132,462.876,3.761,5,0.375,0.68,1.0,0.9020372147214036,0.9196165444452059,0.40285107257898706,0.4356109930779247,0.6650289562058803
EOS-3-23858,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cn(C)c(C)n6)cc5)n34)n2)o1,RNRBNTFKAPDJPW-UHFFFAOYSA-N,3,1,0.32,38,865,449.478,3.921,6,0.398,0.66,1.0,0.16486190117195532,0.12990884791995067,0.1437615653485025,0.11099307792474813,0.13738134809128916
EOS-3-23859,COc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5cncn5C)c4)n23)n1,VKEQIUWRRYDYJF-UHFFFAOYSA-N,3,1,0.46,65,359,429.444,2.007,5,0.383,0.68,1.0,0.35753204029881436,0.13328421629771778,0.09613803029264616,0.05039921869645672,0.15933837639640874
EOS-3-23860,Fc1ccnc(-n2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)n2)c1,PHCCXHBOPLADGP-UHFFFAOYSA-N,3,1,0.5,27,975,457.351,2.899,5,0.371,0.7,1.0,0.37105921458433283,0.5220512644781029,0.7844990062367213,0.6626602014940717,0.5850674216983072
EOS-3-23861,Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5ncc(Cl)cc5F)cc4F)n23)cn1,GWKGHXIMHWVXIN-UHFFFAOYSA-N,3,1,0.4,13,995,451.824,4.676,5,0.392,0.75,1.0,0.8063532314440408,0.8519721060927969,0.7946850798437393,0.787625933794805,0.8101590877938456
EOS-3-23862,Cc1cnc(COc2cncc3nnc(-c4cc(Cl)cc(-c5csc(C)n5)c4)n23)cn1,FXFZSTAGQRAQAU-UHFFFAOYSA-N,3,1,0.554,4,677,449.927,4.554,5,0.388,0.77,1.0,0.4203532999794394,0.5357926118840382,0.39564628880816943,0.3659704612432321,0.4294406654787198
EOS-3-23863,FCCn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cn1,HSJIWYYGQROVAE-UHFFFAOYSA-N,3,1,0.452,55,329,450.865,3.647,5,0.373,0.67,1.0,0.43632204783770817,0.39553491878555275,0.46778836268932905,0.4882119114522651,0.4469643101912138
EOS-3-23864,Cc1ncc(-c2nc(Cc3cncc4nnc(-c5ccc(F)cn5)n34)ccc2Cl)n1C,WFZLNVGHTXMEFK-UHFFFAOYSA-N,3,1,0.347,85,60,434.866,3.674,5,0.429,0.62,1.0,0.27660030155575355,0.27833938729353713,0.32466074977725995,0.4005551367281201,0.3200388938386677
EOS-3-23865,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5nccc(C)n5)n34)c2)nn1,UMRBAYDNWFCGCG-UHFFFAOYSA-N,3,1,0.371,53,785,426.444,2.067,5,0.398,0.63,0.967,0.3781697621821671,0.19777602631759303,0.03180042491947091,0.02135734356795285,0.15727588924679595
EOS-3-23866,Cc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(C)nn5)c4)n23)cn1,GXYLOEVNILBZGK-UHFFFAOYSA-N,3,1,0.483,20,658,426.444,2.067,5,0.398,0.63,1.0,0.4991176067438832,0.2941710643547392,0.03180899184428757,0.019832430950585976,0.21123252347337398
EOS-3-23867,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(C)c(F)cn5)n34)cn2)nn1,RKAKUDFRVRYYNK-UHFFFAOYSA-N,3,1,0.489,4,617,428.431,3.373,5,0.42,0.65,1.0,0.592043040230279,0.6305685011308341,0.40979884860530463,0.3209084367075595,0.48832970666849423
EOS-3-23868,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cc(-c2cncn2C)n1,ZHUMZNPADFITDP-UHFFFAOYSA-N,3,1,0.489,89,463,441.455,1.968,5,0.422,0.58,0.996,0.4179802618052224,0.14082311013638543,0.1259851963539168,0.051675690494140225,0.18411606469741623
EOS-3-23869,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)c(F)c4)n23)cc1Cl,YAGMAEFXULEKPE-UHFFFAOYSA-N,3,1,0.547,90,12,480.809,3.936,4,0.435,0.79,1.0,0.8772102666027003,0.8204800904667261,0.9630165855664451,0.8989102871633199,0.8899043074497979
EOS-3-23870,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc1-c1ccnnc1,SGBWMFBALRKLDM-UHFFFAOYSA-N,3,1,0.412,54,873,448.849,3.452,5,0.389,0.62,1.0,0.7159550407785621,0.835206634226578,0.47105236104447945,0.5409327667740388,0.6407867007059146
EOS-3-23871,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)c1,JAIDAXHZQAWKRR-UHFFFAOYSA-N,3,1,0.455,2,564,435.369,3.64,5,0.416,0.65,1.0,0.8920224796107189,0.8754369131656501,0.8834898224933178,0.8711277499828661,0.8805192413131382
EOS-3-23872,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cc1F,MDGHGKBKPKBXJW-UHFFFAOYSA-N,3,1,0.658,59,294,417.379,3.501,5,0.432,0.76,1.0,0.9130285792611884,0.8754454800904667,0.7499485984511,0.7218148173531629,0.8150593687889796
EOS-3-23873,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cc(C#N)cs5)n4C)n23)cc1,NIORVFHXGMXPOK-UHFFFAOYSA-N,3,1,0.338,8,882,465.506,2.982,6,0.389,0.68,1.0,0.07479782057432664,0.13696799396888493,0.07759063806456035,0.11346035227194846,0.1007042012199301
EOS-3-23874,Cc1cnnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n1,SGZRIZATUILPNG-UHFFFAOYSA-N,3,1,0.54,37,619,462.876,3.761,5,0.375,0.67,1.0,0.792372010143239,0.8281903228017271,0.5127304502775684,0.557484065519841,0.6726942121855939
EOS-3-23875,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1F,ZAWNIZDOANPVPJ-UHFFFAOYSA-N,3,1,0.489,26,125,467.867,4.14,5,0.373,0.73,1.0,0.8622781166472483,0.8088205057912412,0.8116904256048249,0.8222962785278597,0.8262713316427934
EOS-3-23876,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)c2)cn1,SHGDJEGYIIFVNH-UHFFFAOYSA-N,3,1,0.414,80,34,462.477,3.018,6,0.367,0.68,1.0,0.2716143513124529,0.1804108697142074,0.2586525940648345,0.18752141731204167,0.2245498081008841
EOS-3-23877,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(CO)cc4)n23)c1,DYSSVDNVSLPLKN-UHFFFAOYSA-N,3,1,0.625,43,402,414.429,2.053,5,0.449,0.82,1.0,0.5976972106092797,0.2783479542183538,0.31359228291412516,0.28102083476115414,0.3676645706257282
EOS-3-23879,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,JKBCXBPPXBNIHU-UHFFFAOYSA-N,3,1,0.443,73,379,452.812,3.549,5,0.373,0.73,1.0,0.9051641422794874,0.9099444863271879,0.5922400795010623,0.6308255088753341,0.7595435542457679
EOS-3-23880,NC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cnc(F)nc5)cn4)n23)cc1F,NMMALLIAALQJAX-UHFFFAOYSA-N,3,1,0.327,50,155,419.355,1.811,5,0.44,0.63,1.0,0.1293091631827839,0.18887499143307518,0.48152114317044753,0.4228891097251731,0.3056486018778699
EOS-3-23881,Clc1ccccc1CCOc1cncc2nnc(-c3cncc(-c4ccncc4)c3)n12,YFVUHWYFQBQMPL-UHFFFAOYSA-N,3,1,0.757,35,884,428.883,4.523,5,0.395,0.75,1.0,0.6520714824206703,0.7715800836131862,0.777671167157837,0.8097714344458913,0.7527735419093962
EOS-3-23882,Cn1nc(C(F)F)cc1-c1cc(-c2nnc3cncc(OCc4ncnn4C)n23)ccn1,XTRKZXNUXTWHEC-UHFFFAOYSA-N,3,1,0.424,36,105,438.402,2.232,5,0.397,0.66,1.0,0.31676204509629224,0.34333664587759577,0.2017767802069769,0.1379274895483517,0.24995074018230412
EOS-3-23883,Fc1cc(Cl)ccc1-c1nnc2cncc(Cc3ccc(-c4cncnc4)cn3)n12,NIMPGVBCRXLMSL-UHFFFAOYSA-N,3,1,0.378,14,81,417.835,4.027,5,0.439,0.74,1.0,0.39403570694263584,0.6071722294565143,0.8015300527722569,0.8495648002193132,0.6630756973476801
EOS-3-23884,CC(CO)NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(OC(F)F)nc4)n23)cc1F,BHZFDNDKSZCZBI-UHFFFAOYSA-N,3,1,0.406,66,364,473.415,2.023,4,0.398,0.69,1.0,0.5398790350215886,0.540281680487972,0.6934925639092592,0.5074703584401343,0.5702809094647385
EOS-3-23885,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nn1,OEIVCVXAFINXTN-UHFFFAOYSA-N,3,1,0.545,15,563,444.886,3.622,5,0.391,0.63,1.0,0.7222431635939963,0.7884826262764718,0.28084949626482075,0.3117675279281749,0.525835703515866
EOS-3-23887,Cn1nncc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1,QEYZCXNPSOWYST-UHFFFAOYSA-N,3,1,0.531,13,145,421.823,4.172,5,0.433,0.73,1.0,0.48162394626824756,0.6400178192036187,0.7884397916523884,0.8120930710712083,0.6805436570488658
EOS-3-23890,Clc1ncc(CCOc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)nn1,QNSRGSBZGZQKDS-UHFFFAOYSA-N,3,1,0.467,72,628,431.847,2.708,5,0.4,0.62,1.0,0.6946662326091426,0.792834624083339,0.15594373243780413,0.22196045507504625,0.466351261051333
EOS-3-23891,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)cn1,DAQOFQZCOBLDNL-UHFFFAOYSA-N,3,1,0.449,2,419,432.394,3.204,5,0.39,0.68,1.0,0.7671081488588856,0.6450551709958193,0.7014084024398601,0.6039681995750805,0.6793849804674114
EOS-3-23892,OCc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ncn2)s1,PHCHKKRXXODODX-UHFFFAOYSA-N,3,1,0.518,44,54,432.469,2.214,5,0.412,0.69,0.238,0.34128915084641215,0.1521400178192036,0.03988760194640532,0.05294359536700706,0.14656509149475705
EOS-3-23893,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)nn1,MPSGDIMUQBEVCT-UHFFFAOYSA-N,3,1,0.548,4,10,436.838,3.353,5,0.417,0.63,1.0,0.4690991021862792,0.722534439037763,0.5953584401343294,0.6221386471112329,0.6022826571174011
EOS-3-23894,COc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1ccccn1,SZPZPZDBMJXKEL-UHFFFAOYSA-N,3,1,0.436,49,703,446.417,4.114,5,0.388,0.69,0.991,0.8090603796861079,0.6793657048865739,0.7475669933520663,0.6742084161469399,0.7275503735179221
EOS-3-23895,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)n5)n34)cn2)n1,XFQDONXMWKLGIF-UHFFFAOYSA-N,3,1,0.278,76,601,438.415,1.797,6,0.396,0.61,1.0,0.1052275375231307,0.08493249263244466,0.012413474059351655,0.00981769583990131,0.05309780001370708
EOS-3-23896,COc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)n5)n34)nn2)n1,DRYFVWLJSVUZFM-UHFFFAOYSA-N,3,1,0.396,31,411,442.443,1.767,5,0.364,0.64,0.979,0.459666917963128,0.21695737098211226,0.022076965252552944,0.00887533411006785,0.17689414707696527
EOS-3-23897,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)cc1,RMWALPKXXZHCBO-UHFFFAOYSA-N,3,1,0.333,8,927,423.404,1.019,6,0.403,0.65,1.0,0.008027208553217736,0.014812213008018642,0.013432938112535124,0.013501473511068467,0.012443458296209992
EOS-3-23898,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)cc2F)cn1,IBZVADUNPXJTDH-UHFFFAOYSA-N,3,1,0.5,16,716,445.433,4.117,5,0.402,0.69,1.0,0.8486481392639298,0.7715886505380029,0.7946936467685559,0.70007196216846,0.778750599684737
EOS-3-23899,Fc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ccnc(Cl)n1,YPFSXGMMZIBLKS-UHFFFAOYSA-N,3,1,0.5,20,846,448.849,3.452,5,0.364,0.67,1.0,0.9213042286340896,0.9363820163114248,0.523053594681653,0.5507418956891235,0.7328704338290726
EOS-3-23900,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4)n23)cc1,XJSRTPKQTLIIOA-UHFFFAOYSA-N,3,1,0.387,9,98,448.465,4.455,6,0.396,0.7,1.0,0.17845761085600712,0.3240353642656432,0.6051247344253307,0.6426050304982523,0.43755568501130837
EOS-3-23901,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)nc1,COJFUXNCIITQTO-UHFFFAOYSA-N,3,1,0.473,75,420,449.837,2.847,5,0.385,0.6,1.0,0.7784593242409704,0.7500428346240834,0.22639812213008018,0.2868120759372216,0.5104280892330889
EOS-3-23902,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)c2)cn1,VBTSBZAVBZJIKN-UHFFFAOYSA-N,3,1,0.585,4,464,433.472,4.04,5,0.413,0.72,1.0,0.4363306147625248,0.4948084435610993,0.3282845589747104,0.28405352614625456,0.3858692858611473
EOS-3-23903,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnnn5C)nc4)n23)nn1,OPNJOTJBGNBPQQ-UHFFFAOYSA-N,3,1,0.273,99,14,437.431,1.234,6,0.395,0.6,0.474,0.03924508258515523,0.03152628332533754,0.020260777191419367,0.02056918648481941,0.027900332396682884
EOS-3-23904,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(Cl)c4)n23)cn1,DHEXPDXEHIHNHW-UHFFFAOYSA-N,3,1,0.314,39,972,466.896,3.759,6,0.386,0.72,1.0,0.13466349119320128,0.18041943663902404,0.21253683777671167,0.3303748886299774,0.21449866355972858
EOS-3-23905,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2F)c[nH]1,QBULMQXPQQVXOD-UHFFFAOYSA-N,3,1,0.582,11,275,428.431,2.816,5,0.429,0.74,1.0,0.8903005277225687,0.6892433692001919,0.48502501542046467,0.43561956000274143,0.6250471180864917
EOS-3-23906,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,DMPYCNSJZJMHSZ-UHFFFAOYSA-N,3,1,0.522,15,561,446.902,3.74,5,0.351,0.73,1.0,0.6489959564114866,0.6168871221986156,0.18812110204920843,0.22789733397299705,0.4204753786580769
EOS-3-23907,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)ccn1,WXYAFKXKOLCBRY-UHFFFAOYSA-N,3,1,0.307,86,790,436.414,3.03,6,0.388,0.63,1.0,0.006930642176684257,0.14437838393530258,0.4570797066684943,0.44824720718250977,0.26415898499074775
EOS-3-23908,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccn1,AUSFATHYGQDPKB-UHFFFAOYSA-N,3,1,0.483,55,564,437.826,2.748,5,0.413,0.62,1.0,0.5016277157151668,0.48114419847851414,0.4815297100952642,0.5007196216846,0.4912553114933863
EOS-3-23909,COc1ncccc1-c1ccnc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)c1,APBAAXKMDPIPJW-UHFFFAOYSA-N,3,1,0.406,7,535,462.42,3.564,5,0.358,0.73,1.0,0.46910766911109586,0.432741073264341,0.5667363443218423,0.3883815365636351,0.4642416558152286
EOS-3-23910,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccnc5F)n4)n23)cc1,VRJRMPRZBMTRPQ-UHFFFAOYSA-N,3,1,0.316,98,882,451.429,2.64,6,0.372,0.62,1.0,0.13735350558563497,0.21201425536289495,0.14999828661503667,0.1657699952025221,0.16628401069152218
EOS-3-23911,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cn2)cn1,BLMNRUCTNIEIIO-UHFFFAOYSA-N,3,1,0.299,32,557,447.437,3.906,6,0.375,0.66,1.0,0.28498732095127133,0.3815965321088342,0.44643101912137617,0.4606949489411281,0.3934274552806525
EOS-3-23912,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ncc4Cl)n23)nc1,MPNWRBCEILOPQQ-UHFFFAOYSA-N,3,1,0.398,33,760,434.851,2.313,5,0.41,0.6,1.0,0.40241415941333697,0.45481803851689395,0.09164039476389556,0.12703036118155028,0.26897573846891915
EOS-3-23913,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)cn5)n34)cn2)n1,IEHXXMDIEOUIIS-UHFFFAOYSA-N,3,1,0.305,86,968,437.427,2.402,6,0.404,0.63,1.0,0.0854807758207114,0.09728599821807964,0.06280412583099171,0.05431430333767391,0.07497130080186416
EOS-3-23914,Fc1cc(-c2nnc3cncc(-c4cn(-c5ccnnc5)cn4)n23)ccc1-c1cccnc1,WATFQSXYXQFTOC-UHFFFAOYSA-N,3,1,0.326,42,620,435.426,3.635,6,0.417,0.61,1.0,0.03633232814748818,0.17622164347885683,0.6880182989514084,0.6972791446782263,0.39946285381399493
EOS-3-23915,Fc1cccnc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ncn3)n12,LMIUQCNYHCZAQG-UHFFFAOYSA-N,3,1,0.42,44,194,448.849,3.452,5,0.364,0.68,0.906,0.7005431430333767,0.727203413062847,0.4677969296141457,0.5274312932629703,0.605743694743335
EOS-3-23916,Fc1cc(-c2ncccn2)cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)n1,CUQFMFUSUUAKBR-UHFFFAOYSA-N,3,1,0.467,18,262,448.849,3.452,5,0.364,0.68,1.0,0.7923805770680556,0.754463367829484,0.47783736549928035,0.527439860187787,0.6380302926461517
EOS-3-23917,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cn1,MXHGABWJYJRZKL-UHFFFAOYSA-N,3,1,0.54,4,390,445.87,3.884,5,0.388,0.71,1.0,0.6230039065177164,0.6743797546432733,0.4916986498526489,0.42289767664998973,0.552994996915907
EOS-3-23918,Cc1cc(-c2nnc3cncc(OCc4nccnc4-c4cccnn4)n23)ccc1Cl,WZQYWTLVTUQGRC-UHFFFAOYSA-N,3,1,0.467,4,32,430.859,3.579,5,0.416,0.65,1.0,0.611952573504215,0.8244722774312933,0.35073846891919674,0.4067490233705709,0.548478085806319
EOS-3-23919,Cc1nc(-c2nnc3cncc(OCc4csc(-c5cnn(C)c5)n4)n23)ccc1F,RCKROWGTXMSYDZ-UHFFFAOYSA-N,3,1,0.438,92,128,422.449,3.07,5,0.429,0.68,1.0,0.3239753957919265,0.34808272222602976,0.16240319374957166,0.1290435885134672,0.2408762250702488
EOS-3-23920,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncnn6)nn5)n34)cn2)ccn1,ZVYDGXJLDWDWIO-UHFFFAOYSA-N,3,1,0.324,99,312,438.39,1.82,6,0.375,0.64,0.961,0.0017647865122335687,0.10047289424988007,0.18812966897402508,0.2452367898019327,0.13390103488451785
EOS-3-23921,Cc1cnc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)nn1,SNUQKGYCHGPADL-UHFFFAOYSA-N,3,1,0.383,22,243,450.84,4.605,5,0.394,0.72,1.0,0.37582242478240013,0.5782331574258104,0.7947022136933726,0.7946508121444726,0.6358521520115139
EOS-3-23922,Fc1ccc(-c2cc(-c3nnc4cncc(COc5ccc(Cl)nn5)n34)ccc2F)nc1,XYNHCJYSSUOTQH-UHFFFAOYSA-N,3,1,0.39,34,189,451.824,4.154,5,0.396,0.7,1.0,0.6976389555205263,0.8166849427729422,0.8095144267013913,0.8383592625591118,0.7905493968884929
EOS-3-23923,CC(C)(N)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)nc1,SMMCUEBUBFQJSZ-UHFFFAOYSA-N,3,1,0.313,50,432,427.447,3.038,5,0.465,0.63,0.96,0.19004866013295868,0.18443732437804125,0.6019292714687136,0.4259903365088068,0.3506013981221301
EOS-3-23924,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)nn2C)cn1,RLSQMAOGKHPGND-UHFFFAOYSA-N,3,1,0.432,31,569,431.46,1.95,5,0.385,0.68,1.0,0.14528647796586938,0.02865636351175382,0.09386779521622918,0.039981838119388664,0.07694811870331027
EOS-3-23925,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ncn2)cn1,MKNCNTBNCQAERN-UHFFFAOYSA-N,3,1,0.56,44,488,447.861,4.323,5,0.396,0.7,0.996,0.862286683572065,0.7757521759989034,0.8032777054348571,0.7852871633198547,0.8066509320814201
EOS-3-23926,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nn5)nc4)n23)ccc1Cl,HWZVIUQUNRHBCN-UHFFFAOYSA-N,3,1,0.529,43,389,447.861,4.323,5,0.396,0.7,1.0,0.877218833527517,0.9079055582208211,0.7587982317867178,0.7534867384003838,0.82435234048386
EOS-3-23928,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)[nH]n2)ccc1F,PSRBNGUSDWYSRM-UHFFFAOYSA-N,3,1,0.421,59,963,437.385,3.881,5,0.42,0.72,1.0,0.6201939551778494,0.4721660612706463,0.8952779110410527,0.8696028373654993,0.7143101912137619
EOS-3-23929,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nccc(-c6cncnc6)n5)n34)cc2)nn1,CANMWEFEOADZSV-UHFFFAOYSA-N,3,1,0.301,42,725,460.461,3.171,6,0.378,0.63,1.0,0.385006168185868,0.22233739976697964,0.24796107189363306,0.19846138030292645,0.26344150503735175
EOS-3-23930,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4nccnc4Cl)n23)ccc1F,PEMJHAGOASVIQX-UHFFFAOYSA-N,3,1,0.472,36,79,437.826,2.748,5,0.413,0.63,0.87,0.4816325131930642,0.5931567404564457,0.377193132753067,0.43836097594407514,0.472585840586663
EOS-3-23931,Cn1nc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)cc1-c1cnccn1,BFASXZHLLVVQGD-UHFFFAOYSA-N,3,1,0.413,7,828,437.826,2.748,5,0.413,0.63,0.989,0.36202967582756496,0.3908573778356521,0.3136008498389418,0.36907168802686585,0.35888989788225617
EOS-3-23932,Clc1cc(-c2cnncn2)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,WZRLVHNJTFMISP-UHFFFAOYSA-N,3,1,0.523,36,208,452.265,3.319,5,0.396,0.6,1.0,0.5016362826399835,0.635545884449318,0.5092522788020012,0.6009440751147967,0.5618446302515249
EOS-3-23933,Cn1c(C(N)=O)ccc1-c1nnc2cncc(OCCc3cccc(Cl)c3F)n12,TTYOLMOIQCKVNW-UHFFFAOYSA-N,3,1,0.5,90,683,414.828,2.643,4,0.522,0.64,1.0,0.40681755876910425,0.2276231923788637,0.47430779247481325,0.49117606743883213,0.39998115276540336
EOS-3-23934,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)nnc2Cl)c1,HZKUNJSDMCNDDH-UHFFFAOYSA-N,3,1,0.541,46,875,439.863,4.076,5,0.407,0.71,0.985,0.7037814406140772,0.7457336714412994,0.5500222740045233,0.6368823247207183,0.6591049276951546
EOS-3-23935,Fc1cncc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,MOHXFRCJFPHEMX-UHFFFAOYSA-N,3,1,0.562,73,539,439.863,4.076,5,0.407,0.71,1.0,0.6888321568089918,0.8613271879925982,0.40650058255088756,0.5670447536152423,0.63092617024193
EOS-3-23936,Fc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1nnc2ccccn12,DPWCQIDUAQOYBI-UHFFFAOYSA-N,3,1,0.607,35,393,452.453,3.657,6,0.381,0.67,1.0,0.8973596737715029,0.842145843328079,0.505594201905284,0.5409413336988554,0.6965102631759303
EOS-3-23937,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)nc1,IJEQODFILRLTEF-UHFFFAOYSA-N,3,1,0.259,86,953,450.401,2.091,6,0.389,0.62,0.998,0.25539716263450074,0.23737235282023164,0.08456411486532794,0.12905215543828388,0.17659644643958602
EOS-3-23938,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cn2)cn1,BOMWTJFJUVAPRI-UHFFFAOYSA-N,3,1,0.342,42,57,446.449,4.511,6,0.368,0.74,1.0,0.3062846960455075,0.4193424028510726,0.752270235076417,0.738057706805565,0.5539887601946405
EOS-3-23939,Cc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnn6)c(F)c5)n34)cn2)nn1,PZBAZAMFORAISP-UHFFFAOYSA-N,3,1,0.321,98,167,463.44,3.005,6,0.384,0.63,1.0,0.2795044890686039,0.36231238434651497,0.3282931258995271,0.3431910081557124,0.3283252518675896
EOS-3-23940,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)cs2)c1,QYMXDNMJWYFPTJ-UHFFFAOYSA-N,3,1,0.453,31,779,440.92,3.262,5,0.402,0.69,1.0,0.37817832910698373,0.39086594476046876,0.12336371736001644,0.147385374545953,0.2599483414433555
EOS-3-23941,O=C1NC2cnc1ccc(-c1cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n13)CC2,ANPWEXQAJNIWPO-UHFFFAOYSA-N,3,1,0.343,78,66,440.467,1.709,7,0.636,0.59,0.993,0.2202984716606127,0.08494105955726132,0.006596532108834213,0.004403399355767254,0.07905986567061887
EOS-3-23942,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)nc2)nc1,WOXHVSGRRVCYBI-UHFFFAOYSA-N,3,1,0.309,86,557,464.88,3.816,6,0.383,0.68,1.0,0.24778116647248305,0.2941796312795559,0.21254540470152833,0.2750239873894867,0.25738254746076344
EOS-3-23943,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)cn1,BMDQMBWGVYAGBL-UHFFFAOYSA-N,3,1,0.424,31,113,445.874,3.017,5,0.388,0.62,0.952,0.5891474196422453,0.559265985881708,0.23015900212459736,0.23966828867109863,0.4045601740799123
EOS-3-23944,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cn5)n34)nn2)c1F,MKBDELJBWHIBRB-UHFFFAOYSA-N,3,1,0.274,10,872,444.365,2.762,6,0.403,0.64,0.988,0.09761154136111301,0.14817353162908642,0.38086834349941745,0.4576622575560277,0.27107891851141114
EOS-3-23945,N#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)cn1,ZJOFCMREOJMKEX-UHFFFAOYSA-N,3,1,0.371,46,113,442.83,2.537,5,0.372,0.64,0.998,0.5920516071550956,0.6071807963813309,0.4028596395038037,0.3915598656706189,0.4984129771777123
EOS-3-23946,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cn6)n5)n34)nc2)nc1,SFUHQIZQPTTYLV-UHFFFAOYSA-N,3,1,0.272,10,871,454.404,3.169,6,0.399,0.6,0.987,0.027619765608937016,0.14438695086011924,0.36938009732026594,0.4482557741073264,0.24741064697416215
EOS-3-23948,COC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ncn4)n23)cc1,FFNKBPJFDFDCPM-UHFFFAOYSA-N,3,1,0.458,36,463,444.415,1.137,5,0.347,0.7,1.0,0.3758309917072168,0.15974744705640465,0.03443903776300459,0.01067438832156809,0.14517296621204853
EOS-3-23950,Cc1cnc(-c2nnc3cncc(Cc4ccnc(-c5nccnc5Cl)c4)n23)cn1,JTRYGMVUQZWVAF-UHFFFAOYSA-N,3,1,0.303,85,674,415.848,2.986,5,0.44,0.72,1.0,0.26889006922075254,0.21696593790692892,0.1687769858131725,0.2163405523953122,0.21774338633404156
EOS-3-23951,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cn2)cc1,UEEBJXNNBJAJRX-UHFFFAOYSA-N,3,1,0.299,30,945,416.448,4.101,6,0.43,0.79,0.999,0.003135494482900418,0.034618943184154614,0.4464395860461929,0.48529059008978137,0.24237115345075733
EOS-3-23952,Cc1nc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)nc2)ncc1Cl,CQHISXSXIROOSZ-UHFFFAOYSA-N,3,1,0.414,13,412,476.859,3.635,5,0.406,0.73,1.0,0.7191762045096293,0.5402902474127887,0.4606178466177781,0.39749674456856965,0.5293952607771915
EOS-3-23953,CNC(=O)c1ccc(-c2nnc3cncc(COc4ccc(Cl)c(C)c4)n23)cc1,PORQIZXDUYRSPO-UHFFFAOYSA-N,3,1,0.489,48,646,407.861,3.692,4,0.545,0.89,1.0,0.7005517099581934,0.6305770680556507,0.6935011308340758,0.5765112055376602,0.6502852785963951
EOS-3-23954,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)n4)n23)nc1,JGWZIBTYMITOJS-UHFFFAOYSA-N,3,1,0.257,10,813,420.44,2.834,6,0.432,0.66,0.999,0.003846549242683846,0.013458638886985128,0.15595229936262078,0.16577856212733877,0.08475901240490713
EOS-3-23955,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ncn2)nc1,JKEJPYORIBSZRW-UHFFFAOYSA-N,3,1,0.435,18,481,420.433,2.86,5,0.413,0.73,1.0,0.5553766020149408,0.47217462819546296,0.19500890960180933,0.22196902199986293,0.361132290453019
EOS-3-23956,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)cn2)nc1,BWOUNPIRLSSBRM-UHFFFAOYSA-N,3,1,0.325,32,515,446.449,4.511,6,0.393,0.71,1.0,0.30629326297032416,0.3768590226852169,0.5986995408128298,0.6511976560893702,0.4832623706394353
EOS-3-23957,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnccn5)n4)n23)nc1,OWMKPMOFGMBWHJ-UHFFFAOYSA-N,3,1,0.365,32,368,446.449,4.511,6,0.393,0.71,1.0,0.2229370845041464,0.3768675896100336,0.6170927283942156,0.6683657734219725,0.47131579398259205
EOS-3-23958,Fc1cccc(COc2cncc3nnc(-c4cnnc(-c5ccc(F)nc5F)c4)n23)n1,YMKZCHKZEDEJKJ-UHFFFAOYSA-N,3,1,0.467,4,554,436.357,3.035,5,0.387,0.65,1.0,0.6089198821191145,0.6743883215680899,0.6962939483243095,0.6860907408676582,0.6664232232197931
EOS-3-23959,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnns6)n5)n34)cn2)cc1,QCQUZJFPPRGBRI-UHFFFAOYSA-N,3,1,0.324,30,541,435.476,3.829,6,0.411,0.69,0.987,0.05443424028510726,0.14439551778493592,0.1753221163731067,0.2633644027140018,0.1593790692892879
EOS-3-23960,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)cc4-c4ncc(F)cn4)n23)cc1,POVXNOIPAHWAPB-UHFFFAOYSA-N,3,1,0.35,9,635,467.443,3.989,6,0.387,0.72,1.0,0.2662514563772188,0.3331762730450278,0.563129668974025,0.6009526420396134,0.44087751010897125
EOS-3-23961,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5)c(F)cn4)n23)cn1,QWGVTURSUILRGP-UHFFFAOYSA-N,3,1,0.457,92,205,459.445,2.06,5,0.409,0.61,1.0,0.41564149133027206,0.3718816393667329,0.26942121855938594,0.152516962511137,0.302365327941882
EOS-3-23962,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ncn(C)n4)cc3Cl)n12,CSTQCGRLTYJWBE-UHFFFAOYSA-N,3,1,0.565,36,460,449.906,2.904,5,0.392,0.65,1.0,0.43389760811459116,0.5682355561647591,0.1347148927421013,0.13134809128915084,0.31704903707765064
EOS-3-23963,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)n1,HXIPWNWHIUOHBD-UHFFFAOYSA-N,3,1,0.461,54,411,431.847,2.708,5,0.374,0.67,0.932,0.60039579192653,0.6214104585018162,0.11166986498526489,0.14981838119388663,0.3708236241518745
EOS-3-23964,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cccc(C(F)F)n5)nn4)n23)n1,XZXVFRLASOOCMH-UHFFFAOYSA-N,3,1,0.417,53,670,447.409,3.258,5,0.386,0.63,0.918,0.5166883695428689,0.4853676924131314,0.37338941813446647,0.2840620930710712,0.4148768932903846
EOS-3-23965,COc1cc(-c2nnc3cncc(-c4nc(-c5ccccc5Cl)nn4C)n23)ccc1Cl,HDGBPLVOFSMGCT-UHFFFAOYSA-N,3,1,0.38,22,316,452.305,4.569,5,0.397,0.76,1.0,0.23125556850113083,0.4721831951202796,0.5230621616064698,0.656749023370571,0.47081248714961277
EOS-3-23966,COc1ncc(-c2nn(C)n2C)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,BZPDEDXUBAXYKM-UHFFFAOYSA-N,3,1,0.608,36,258,450.89,3.166,5,0.392,0.69,1.0,0.6579740936193544,0.7411846343636488,0.1815759714892742,0.16578712905215545,0.4366304571311082
EOS-3-23967,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(C#N)c5)n34)cs2)n1,VAFRWRUUESNUCF-UHFFFAOYSA-N,3,1,0.467,55,283,444.455,3.603,5,0.404,0.67,1.0,0.6579826605441711,0.5833818792406278,0.5330768967171544,0.5240216571859365,0.5746157734219725
EOS-3-23968,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cn(C)nc5C)n34)ccc2Cl)nc1,LWIQEQAZEDPMQB-UHFFFAOYSA-N,3,1,0.523,16,214,445.914,4.436,5,0.398,0.76,1.0,0.41120382427523816,0.5635922829141251,0.5298385991364539,0.48822047837708177,0.49821379617572475
EOS-3-23969,Fc1cc(COc2cncc3nnc(-c4ccncc4)n23)cc(-c2ccc(F)nn2)c1,VBKLDMJFFCCPGL-UHFFFAOYSA-N,3,1,0.537,97,183,417.379,3.501,5,0.432,0.72,1.0,0.6735144952367899,0.6168956891234323,0.7947107806181893,0.7713573435679528,0.7141195771365911
EOS-3-23970,CCn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)n1,MQTWCCXUTDMIDP-UHFFFAOYSA-N,3,1,0.454,31,602,448.878,2.53,5,0.369,0.64,0.998,0.36888321568089916,0.4237543691316565,0.03574977725995477,0.05040778562127339,0.21969878692344594
EOS-3-23971,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cc(-c4cncnc4)nc(C)n3)n12,LCXVHMFTITYZPX-UHFFFAOYSA-N,3,1,0.31,52,295,479.504,2.915,6,0.39,0.81,0.966,0.15393050510588718,0.04832602289082311,0.09387636214104585,0.07399252964155986,0.092531354944829
EOS-3-23972,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5cccs5)n34)c2)c1,XGAPTUCCOPGYEE-UHFFFAOYSA-N,3,1,0.511,87,207,419.445,3.465,5,0.416,0.73,1.0,0.7159636077033787,0.5884877664313618,0.39185114111438557,0.4356281269275581,0.5329826605441711
EOS-3-23973,Fc1ccccc1-c1cccc(-c2nnc3cncc(-c4cnnc(-c5cnccn5)n4)n23)c1,QNVJWQHJMFSLST-UHFFFAOYSA-N,3,1,0.359,30,186,447.437,3.906,6,0.4,0.64,0.937,0.29597011856623945,0.3862055376602015,0.49496264820779934,0.5979799191282297,0.44377955589061746
EOS-3-23974,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cnccn5)nc4)n23)ccc1-c1cncnc1,SEDNURMYNVPMFG-UHFFFAOYSA-N,3,1,0.342,94,327,447.437,3.906,6,0.4,0.64,1.0,0.33423857172229454,0.4237629360564732,0.6825868686176411,0.6772325406072236,0.529455229250908
EOS-3-23975,Cc1cnc(-c2cnccc2-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cn1,GDBBXMSWXAHSIA-UHFFFAOYSA-N,3,1,0.632,84,360,445.433,3.851,5,0.392,0.67,1.0,0.8010760057569735,0.7500514015489,0.7427095469810157,0.6946062641354259,0.7471108046055788
EOS-3-23976,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)cn1,FJHRZZPGDWXDHK-UHFFFAOYSA-N,3,1,0.527,84,858,445.433,3.851,5,0.392,0.67,1.0,0.7463761908025495,0.7364385580152149,0.7499571653759166,0.6946148310602426,0.7318466863134808
EOS-3-23977,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,WBIGCPNQDPYCJS-UHFFFAOYSA-N,3,1,0.32,3,668,418.464,4.045,6,0.432,0.75,1.0,0.017253786580768968,0.02158008361318621,0.5398790350215886,0.5274484271126036,0.27654033308203685
EOS-3-23978,Cc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)ccn2)n1,BEVGHHFWEITDQH-UHFFFAOYSA-N,3,1,0.322,32,945,442.486,4.681,6,0.391,0.73,1.0,0.13467205811801797,0.08814508943869509,0.47784593242409706,0.47901103419916385,0.2949185285449935
EOS-3-23979,Cn1cc(-c2cccnn2)c(-c2cncc3nnc(-c4cn(C)c5cc(Cl)c(F)cc45)n23)n1,WDIPAMBZNUHBKM-UHFFFAOYSA-N,3,1,0.256,50,844,459.876,3.933,6,0.398,0.69,0.754,0.18706737029675827,0.3090261119868412,0.595367007059146,0.6683743403467891,0.43995870742238363
EOS-3-23980,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cnc(C(F)(F)F)nc5)n34)cc2)n1,QVJHYVMIEBKZMQ-UHFFFAOYSA-N,3,1,0.512,27,900,465.399,3.34,5,0.385,0.64,1.0,0.8903090946473854,0.7757607429237201,0.6551812761291207,0.43563669385237475,0.6892219518881503
EOS-3-23981,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncon5)ncc4Cl)n23)s1,AAAGMESYXWHREQ-UHFFFAOYSA-N,3,1,0.372,46,62,454.859,2.629,5,0.408,0.62,1.0,0.43633918168734154,0.28873963402097186,0.1012353505585635,0.1110016448495648,0.23432895277911042
EOS-3-23982,COc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)cc1,ZZAMOZXOWHXXQN-UHFFFAOYSA-N,3,1,0.368,93,74,461.489,3.719,6,0.382,0.69,1.0,0.09762010828592968,0.09111781235007882,0.24796963881844972,0.2601946405318347,0.17422554999657325
EOS-3-23983,Cn1cnnc1-c1cccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4F)n23)c1,FYDGIDCZIKTSNF-UHFFFAOYSA-N,3,1,0.337,3,642,438.426,4.048,6,0.409,0.66,1.0,0.21759989034336236,0.25762456308683435,0.582782194503461,0.5951956685628127,0.41330057912411755
EOS-3-23984,N=c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cn2)n[nH]1,BUGQWTFCXDHKTR-UHFFFAOYSA-N,3,1,0.326,70,687,445.45,2.575,6,0.421,0.61,0.676,0.07480638749914331,0.07788191350832704,0.18494277294222466,0.17938283873620725,0.1292534781714756
EOS-3-23985,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)nc1)N1CCOCC1,MFCHKJGOSONPCU-UHFFFAOYSA-N,3,1,0.41,52,229,482.479,2.922,6,0.385,0.8,1.0,0.0689551778493592,0.02158865053800288,0.028399355767253786,0.09018401754506203,0.05228180042491948
EOS-3-23986,Cc1ccc(-c2ccccn2)c(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,ZARJHVNZKGZQRC-UHFFFAOYSA-N,3,1,0.467,72,132,443.898,4.227,5,0.388,0.68,1.0,0.7578558700568844,0.7179939688849291,0.4065091494757042,0.4513570008909602,0.5834289973271195
EOS-3-23987,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nc1,LIYLIFJNPQGRAI-UHFFFAOYSA-N,3,1,0.581,19,73,443.898,4.227,5,0.388,0.68,1.0,0.6119611404290316,0.597740045233363,0.5432287026249057,0.5859005551367281,0.5847076108560072
EOS-3-23988,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2Cl)n(C)n1,LNBJESDDYGKEMR-UHFFFAOYSA-N,3,1,0.536,16,610,467.32,4.176,5,0.358,0.8,1.0,0.5529007607429237,0.6022462476869302,0.45708827359331095,0.5176050304982523,0.5324600781303543
EOS-3-23989,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)nc2)nc1,PSRPXVAKWDSAOO-UHFFFAOYSA-N,3,1,0.312,86,114,448.425,3.301,6,0.4,0.62,1.0,0.2766088684805702,0.3193749571653759,0.1815845384140909,0.23666986498526488,0.2535595572613255
EOS-3-23990,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)nn1,QYQHWCXVMWNFIP-UHFFFAOYSA-N,3,1,0.495,19,692,445.433,3.851,5,0.392,0.65,0.998,0.6314765951614009,0.5729216640394764,0.6880268658762251,0.6539562058803372,0.6365953327393599
EOS-3-23991,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnnn6C)nn5)n34)cn2)nn1C,RKLNAUQTVXEDLS-UHFFFAOYSA-N,3,1,0.27,99,286,452.446,0.938,6,0.375,0.62,0.187,0.04221780549653896,0.05577068055650743,0.004146391611267219,0.001970392707833596,0.0260263175930368
EOS-3-23992,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)cc1,ZPQPDCIBZUGUNU-UHFFFAOYSA-N,3,1,0.346,42,515,452.478,4.573,6,0.387,0.73,0.947,0.28227160578438765,0.42809780001370706,0.5700089096018094,0.6249314646014666,0.47632744500034274
EOS-3-23994,COc1nc(-c2ccc(C)nn2)ccc1-c1nnc2cncc(OCc3cc(F)cc(F)c3)n12,CYTFMWXVNRPQEU-UHFFFAOYSA-N,3,1,0.5,43,16,461.432,3.818,5,0.376,0.7,0.997,0.6767527928174902,0.6355544513741347,0.5922486464258789,0.4973528202316497,0.6004771777122884
EOS-3-23995,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,NQSISQXWOYMCJK-UHFFFAOYSA-N,3,1,0.553,15,561,431.887,3.862,5,0.379,0.7,1.0,0.8865053800287849,0.7799242683846207,0.4428843122472757,0.444914673428826,0.6385571585223768
EOS-3-23996,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c(F)c1,KRWXPYNCSUWZJA-UHFFFAOYSA-N,3,1,0.524,59,293,452.852,4.702,5,0.386,0.77,1.0,0.8989788225618532,0.8887927489548352,0.922786306627373,0.9214155986567062,0.9079933692001919
EOS-3-23997,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)nn2C)cn1,KLENUJBNBMKEFV-UHFFFAOYSA-N,3,1,0.429,31,569,431.435,2.446,5,0.403,0.65,0.997,0.352640326228497,0.27835652114317044,0.14090021245973544,0.12042526214789939,0.22308058049482554
EOS-3-23998,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cnccn5)n4)n23)cc1,LJIBFJVIXARWEZ-UHFFFAOYSA-N,3,1,0.35,29,849,410.401,1.46,5,0.467,0.82,1.0,0.17290624357480638,0.034627510108971284,0.05688438078267425,0.030266945377287368,0.07367126996093482
EOS-3-23999,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)s1,HDJSDVWYLQTUIO-UHFFFAOYSA-N,3,1,0.463,81,609,468.506,3.377,6,0.39,0.72,1.0,0.45517784935919403,0.4006836406003701,0.08685148379137825,0.0760057569734768,0.2546796826811048
EOS-3-24001,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)nc4)n23)nc1,LRVAUUUHHCZINV-UHFFFAOYSA-N,3,1,0.28,70,179,449.453,3.85,6,0.377,0.7,1.0,0.09285689808786238,0.18042800356384073,0.5767510794325269,0.5444023713247893,0.34860958810225484
EOS-3-24002,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n(C)n1,SCQPMPYJSGOJKI-UHFFFAOYSA-N,3,1,0.291,98,7,435.455,2.742,6,0.448,0.58,1.0,0.09996744568569667,0.07101980673017613,0.08188266739771091,0.07956103077239395,0.08310773764649443
EOS-3-24003,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4ccccc4F)ncn3)n12,LBBFZDVDWZBJKX-UHFFFAOYSA-N,3,1,0.4,13,616,436.809,4.972,5,0.395,0.8,1.0,0.7253615242272634,0.7799328353094374,0.9170036323761223,0.9427301076005757,0.8412570248783496
EOS-3-24004,Cn1cc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)n1,SSIOSVHEILDILA-UHFFFAOYSA-N,3,1,0.4,9,42,450.481,4.398,6,0.398,0.71,1.0,0.19005722705777534,0.3240439311904599,0.6019378383935302,0.6039767664998972,0.43000394078541565
EOS-3-24005,Fc1ccc(-c2cnc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2Cl)nc1,AVMGHCGPJOGEEV-UHFFFAOYSA-N,3,1,0.478,18,429,447.861,4.057,5,0.387,0.65,1.0,0.8552789390720307,0.8281988897265438,0.6611438558015215,0.7113803029264615,0.7640004968816393
EOS-3-24006,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)s1,YQTOJVSCNAWRAW-UHFFFAOYSA-N,3,1,0.512,43,521,436.447,4.475,5,0.404,0.75,1.0,0.7494688506613666,0.7180025358097457,0.67477383318484,0.6832979233774245,0.7063857857583441
EOS-3-24007,FC(F)(F)c1ccc(-c2nnc3cncc(CCc4ncc(-c5cccnc5)nn4)n23)nn1,IYUQEYPWIQWDFR-UHFFFAOYSA-N,3,1,0.315,53,362,450.388,2.632,5,0.398,0.62,0.996,0.34350798437392915,0.36724693304091566,0.3956548557329861,0.3558186553354808,0.3655571071208279
EOS-3-24008,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cc3F)n12,JGDZDLLEJCLKGR-UHFFFAOYSA-N,3,1,0.478,73,300,463.86,4.023,5,0.372,0.74,1.0,0.7953532999794394,0.7225430059625797,0.6409173463093688,0.5829792337742444,0.685448221506408
EOS-3-24009,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)nc2)cc1,ZFYSEUGQEWHPRN-UHFFFAOYSA-N,3,1,0.319,9,787,444.502,4.624,6,0.394,0.77,1.0,0.04072716057843876,0.059608662874374614,0.5827907614282777,0.5574926324446576,0.31015480433143716
EOS-3-24010,CCn1cc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c(C)n1,NIOISDXAYVAZFL-UHFFFAOYSA-N,3,1,0.523,4,677,446.902,4.006,5,0.389,0.71,1.0,0.5041892262353506,0.6939294770749092,0.1914022342539922,0.2189962990884792,0.40212930916318285
EOS-3-24011,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnncc4-c4ccc(Cl)nc4)n23)nc1,SGRJRKDOAHTYGY-UHFFFAOYSA-N,3,1,0.275,33,432,469.896,3.251,6,0.389,0.68,0.997,0.18428311973134123,0.1977845932424097,0.20178534713179358,0.32091700363237613,0.22619251593448014
EOS-3-24012,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cn1,GNCBEPXPFDDKDN-UHFFFAOYSA-N,3,1,0.297,38,522,437.492,3.772,6,0.414,0.64,1.0,0.0767253786580769,0.0972945651428963,0.24093619354396545,0.2512079363991502,0.1665410184360222
EOS-3-24013,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cn1,XSGPOBDIKZQXIZ-UHFFFAOYSA-N,3,1,0.312,70,191,437.492,3.772,6,0.414,0.64,1.0,0.12626790487286685,0.11614179973956548,0.22284284833116305,0.21634911932012885,0.17040041806593104
EOS-3-24014,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)c4)n23)cc1,POXZSUWPOHMSLM-UHFFFAOYSA-N,3,1,0.587,67,789,464.493,2.961,6,0.37,0.68,1.0,0.5476920704543897,0.3285244328695771,0.2228514152559797,0.18752998423685835,0.3216494757042012
EOS-3-24015,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(C)ncc5Cl)n34)ccn2)ncn1,KGGBOVNPOXJQIC-UHFFFAOYSA-N,3,1,0.467,75,99,444.886,3.888,5,0.402,0.68,1.0,0.6490045233363032,0.5729302309642931,0.5056027688301008,0.4323983962716743,0.5399839798505929
EOS-3-24016,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ncnn1C,TWBLLDMIZOEZMB-UHFFFAOYSA-N,3,1,0.483,16,718,448.874,3.223,5,0.364,0.7,1.0,0.5398876019464053,0.5128760879994517,0.42454252621478994,0.3431995750805291,0.455126447810294
EOS-3-24017,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)nc1,MYDCWQZHESBEQL-UHFFFAOYSA-N,3,1,0.274,86,812,423.4,2.094,6,0.414,0.64,1.0,0.1293177301076006,0.048334589815639775,0.06281269275580838,0.06169042560482489,0.07553885957096841
EOS-3-24018,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cn1,OUVWKDRLMHJZRE-UHFFFAOYSA-N,3,1,0.286,70,968,423.4,2.094,6,0.414,0.64,1.0,0.12932629703241724,0.0710283736549928,0.06474025083955863,0.06319820437255842,0.08207328147488177
EOS-3-24019,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)nc1,VUCKUIWMOVVXCL-UHFFFAOYSA-N,3,1,0.471,53,411,417.82,2.666,5,0.425,0.68,0.964,0.4434325954355425,0.5173308889041189,0.23016756904941402,0.29007607429237203,0.37025178192036184
EOS-3-24020,Cn1nncc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cnn1,NMUAPXXRFDUOEY-UHFFFAOYSA-N,3,1,0.287,99,719,424.388,1.489,6,0.404,0.65,0.945,0.0951956685628127,0.0745151120553766,0.0460386539647728,0.051684257418956894,0.06685842300047974
EOS-3-24021,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,YREUCDLYABGGTE-UHFFFAOYSA-N,3,1,0.494,73,210,433.834,4.015,5,0.413,0.69,1.0,0.7433863340415324,0.8088290727160579,0.5734099787540264,0.6626687684188883,0.6970735384826263
EOS-3-24022,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncc4F)n23)cn1,QEJRBLVKAPGJIO-UHFFFAOYSA-N,3,1,0.467,55,283,448.849,3.718,5,0.4,0.65,1.0,0.8416403947638955,0.8489651154821465,0.5922572133506956,0.5798608731409773,0.7156808991844288
EOS-3-24023,c1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)cnn2)[nH]n1,ATGFGNGEKWPXJJ-UHFFFAOYSA-N,3,1,0.442,56,2,436.439,2.94,6,0.407,0.64,0.979,0.7314354739222808,0.5084555547940511,0.3619954081282983,0.314937290110342,0.4792059317387431
EOS-3-24024,COc1cc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)nn4)n23)ccc1Cl,CRKAQRLTMIIHBQ-UHFFFAOYSA-N,3,1,0.478,36,728,450.85,2.013,5,0.378,0.67,1.0,0.45053457610856007,0.6647248303748886,0.09164896168871221,0.10863717360016449,0.32888638544308135
EOS-3-24025,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cn(C)nn5)cn4)n23)cn1,ZDSMECWYHFZZIY-UHFFFAOYSA-N,3,1,0.258,99,813,450.47,2.322,6,0.388,0.63,0.999,0.03235727503255431,0.00942361729833459,0.03181755876910424,0.030275512302104037,0.025968490850524294
EOS-3-24026,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)s5)n34)cc2)nc1,FLDNQZUOSVRNBR-UHFFFAOYSA-N,3,1,0.319,38,865,434.488,4.434,6,0.405,0.74,1.0,0.13983791378246865,0.18444589130285793,0.36200397505311493,0.37887225001713387,0.26629000753889387
EOS-3-24027,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)c1,RWMLAVFUKWCAJN-UHFFFAOYSA-N,3,1,0.483,15,438,433.863,2.652,5,0.376,0.66,1.0,0.5016448495648003,0.5173394558289356,0.14377013227331917,0.18489993831814133,0.33691359399629905
EOS-3-24028,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)n4)n23)c(F)c1,RZSKOFHHUGKWTE-UHFFFAOYSA-N,3,1,0.473,36,610,431.435,2.886,5,0.404,0.66,1.0,0.4156500582550888,0.4590843670755945,0.13472345966691796,0.11346891919676513,0.2807317010485916
EOS-3-24029,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)n1,XRBIUSQJTWHTLO-UHFFFAOYSA-N,3,1,0.234,86,566,445.45,2.866,6,0.399,0.61,0.131,0.0392536495099719,0.021597217462819545,0.11476252484408196,0.11805222397368241,0.07341640394763896
EOS-3-24030,Clc1cnc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)cn1,GFBMLKGVBOEXNI-UHFFFAOYSA-N,3,1,0.467,65,131,431.847,2.708,5,0.4,0.61,1.0,0.6430419436639024,0.6743968884929066,0.17533068329792337,0.20462956617092729,0.42434977040641486
EOS-3-24031,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)cn5)n34)cn2)c1,MKTXYHWZPUHCHA-UHFFFAOYSA-N,3,1,0.402,6,816,462.437,1.864,6,0.354,0.67,1.0,0.43390617503940787,0.33318483996984444,0.10387396340209719,0.09405626756219587,0.24125531149338633
EOS-3-24032,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)c(F)c1,LBASJRXTGPMSSZ-UHFFFAOYSA-N,3,1,0.518,34,607,453.84,4.097,5,0.398,0.68,1.0,0.7433949009663491,0.8009218011102734,0.8515180590775135,0.8662189020629155,0.8155134158042628
EOS-3-24033,Clc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)cn1,HEYNVVPLZOSRAG-UHFFFAOYSA-N,3,1,0.321,86,459,465.868,3.211,6,0.357,0.69,1.0,0.23396271674319785,0.3193835240901926,0.27316496470426976,0.3021383044342403,0.2821623774929751
EOS-3-24034,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)cc1,AKHGGXMXFWPHDE-UHFFFAOYSA-N,3,1,0.307,10,871,418.424,2.891,6,0.429,0.68,0.717,0.014606606812418614,0.031534850250154206,0.15596086628743747,0.19316702076622574,0.09881733602905901
EOS-3-24035,c1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)cc1,MGTROHCEAGLDRE-UHFFFAOYSA-N,3,1,0.25,94,342,418.424,2.891,6,0.429,0.68,0.838,0.0028270851895003768,0.010417380577068055,0.20895586320334453,0.25121650332396683,0.11835420807346994
EOS-3-24036,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5cnc(C(C)(C)O)c(F)c5)n34)nc2)cn1,BAIWIWMUZZJBMQ-UHFFFAOYSA-N,3,1,0.371,92,36,446.446,3.141,5,0.438,0.67,1.0,0.4991261736686999,0.494817010485916,0.5827993283530943,0.3335532177369611,0.4775739325611678
EOS-3-24037,Cn1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)n1,VGYNCPYTBGIEEH-UHFFFAOYSA-N,3,1,0.593,36,258,419.836,2.609,5,0.427,0.67,1.0,0.36660441367966556,0.4678740319374957,0.20549482557741072,0.2512250702487835,0.32279958536083886
EOS-3-24038,c1ccc(-c2ncc(-c3nnc4cncc(-c5cccc(-c6nccs6)n5)n34)cn2)nc1,FOLMLABOPGNRPB-UHFFFAOYSA-N,3,1,0.292,76,368,435.476,3.829,6,0.411,0.66,1.0,0.05273798917140703,0.1369765608937016,0.1204766636967994,0.14246795970118567,0.11316479336577343
EOS-3-24039,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(O)c5)n34)nn2)nn1,QPVWXBAQGDRUCY-UHFFFAOYSA-N,3,1,0.477,19,785,426.44,2.674,5,0.436,0.65,0.956,0.5016534164896169,0.2990199438009732,0.16878555273798918,0.1498269481187033,0.27982146528682067
EOS-3-24040,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)cc1,ISJDGGIYIZXZRW-UHFFFAOYSA-N,3,1,0.35,3,289,440.854,4.347,6,0.401,0.7,1.0,0.08791378246864505,0.23738091974504832,0.519703927078336,0.6221472140360497,0.36678646083201977
EOS-3-24041,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)c5F)[nH]4)n23)cn1,CGDKCHMALPKWJJ-UHFFFAOYSA-N,3,1,0.292,22,407,457.408,2.712,6,0.428,0.6,0.366,0.19832430950585977,0.29418819820437253,0.29537043382907274,0.37546261394010005,0.2908363888698513
EOS-3-24042,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)cn2)n1,SLAHHYZSMAHYQX-UHFFFAOYSA-N,3,1,0.308,70,392,438.476,4.335,6,0.4,0.71,1.0,0.23954835172366526,0.2169745048317456,0.19141080117880885,0.2073367144129943,0.2138175930368035
EOS-3-24043,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,LATNDPFXGANSRW-UHFFFAOYSA-N,3,1,0.658,59,11,446.873,4.928,5,0.381,0.81,1.0,0.9326040024672744,0.9009149475704201,0.8811167843191008,0.8678209170036324,0.8956141628401069
EOS-3-24044,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccn2)c1,LUGLUAHQUXUAGM-UHFFFAOYSA-N,3,1,0.483,75,496,414.404,2.799,5,0.418,0.78,1.0,0.7434034678911657,0.6793742718113905,0.30266088684805703,0.31494585703515865,0.510096120896443
EOS-3-24045,Fc1cc(-c2nnc3cncc(-c4ncn(-c5ccccc5F)n4)n23)ccc1-c1ccccn1,JLWYNHAGOQAENR-UHFFFAOYSA-N,3,1,0.318,3,298,452.428,4.379,6,0.395,0.67,1.0,0.04962819546295662,0.252681447467617,0.6800167911726407,0.7586868617641012,0.43525332396682886
EOS-3-24046,Cc1cc(Cl)ccc1Cc1cncc2nnc(-c3ccc(-c4cccnc4F)nn3)n12,FDJBNTJRJBXFEW-UHFFFAOYSA-N,3,1,0.337,14,81,431.862,4.335,5,0.394,0.7,0.366,0.31151052018367487,0.3672554999657323,0.6935096977588925,0.7612226715098348,0.5333745973545336
EOS-3-24047,Cc1cnc(-c2cc(Cc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cn1,QUHLXXZNLZMKPB-UHFFFAOYSA-N,3,1,0.396,14,358,430.874,4.94,5,0.404,0.78,1.0,0.49913474059351653,0.7040041806593106,0.8663217051607155,0.8893410321431019,0.7397004146391611
EOS-3-24048,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(C)ncn5)cc4F)n23)c(F)c1,VCMARIOWAFWWRJ-UHFFFAOYSA-N,3,1,0.442,4,526,445.433,4.117,5,0.402,0.7,1.0,0.7159721746281955,0.7086474539099444,0.7297906243574807,0.6596018093345213,0.7035030155575355
EOS-3-24049,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)cn2)nc1,GDNGIANIRDXPLP-UHFFFAOYSA-N,3,1,0.324,32,191,434.488,4.434,6,0.405,0.72,1.0,0.10523610444794737,0.1521485847440203,0.39566342265780274,0.40675759029538755,0.2649514255362895
EOS-3-24050,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)nc5)n34)cc2)cn1,IHEFVSHIFXNYNV-UHFFFAOYSA-N,3,1,0.293,42,171,434.488,4.434,6,0.405,0.72,1.0,0.10524467137276403,0.18888355835789186,0.5398876019464053,0.5474864642587897,0.3453755739839627
EOS-3-24052,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc5cc(F)cc(F)c5[nH]4)n23)cc1,HMLWPGONIOZKOQ-UHFFFAOYSA-N,3,1,0.313,22,316,429.394,3.408,6,0.463,0.62,0.994,0.21466143513124528,0.257633130011651,0.5298471660612707,0.5979884860530464,0.40003255431430335
EOS-3-24053,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(F)c(F)c5Cl)n34)cn2)n1,UYNUAWLVXWZVEZ-UHFFFAOYSA-N,3,1,0.35,45,575,423.814,4.279,5,0.405,0.78,1.0,0.017262353505585634,0.30903467891165787,0.8574806387499143,0.8753940785415667,0.5147929374271811
EOS-3-24054,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5nncn5C)c4)n23)cc1,AIQVBEGPYAEIQR-UHFFFAOYSA-N,3,1,0.484,89,250,475.9,2.574,5,0.371,0.75,1.0,0.6258481255568501,0.41935096977588926,0.21576656843259542,0.15508703995613735,0.35401317593036796
EOS-3-24055,Fc1cccnc1-c1nccnc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,FSODMRPGEBKBEN-UHFFFAOYSA-N,3,1,0.488,46,128,434.822,3.41,5,0.414,0.64,0.987,0.5191299431156192,0.5729387978891097,0.34680625042834623,0.45767082448084434,0.47413645397847987
EOS-3-24056,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(Cl)nn5)cn4)n23)cn1,XFVVXOOVEYNQQG-UHFFFAOYSA-N,3,1,0.412,51,946,474.872,2.025,5,0.387,0.68,1.0,0.545130559934206,0.4721917620450963,0.09388492906586252,0.06833835926255911,0.294886402576931
EOS-3-24057,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(C(C)C)cn5)n4)n23)cc1F,LXVHDYDVRZCIOI-UHFFFAOYSA-N,3,1,0.319,74,768,469.484,3.327,5,0.416,0.68,0.998,0.24228976766499896,0.20256493729011035,0.3620125419779316,0.24524535672674935,0.2630281509149476
EOS-3-24058,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6F)c5)n34)cn2)n1,SVDYLOUHCKCLIO-UHFFFAOYSA-N,3,1,0.31,10,673,439.414,3.537,6,0.41,0.65,1.0,0.08548934274552807,0.22234596669179632,0.309831402919608,0.34636077033787954,0.24100687067370297
EOS-3-24059,Cc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nccn1C,OOCFWFWRECBHRG-UHFFFAOYSA-N,3,1,0.436,31,578,446.902,3.565,5,0.368,0.7,1.0,0.6372849701871016,0.5358011788088548,0.26578884243711876,0.25441196628058393,0.42332173942841483
EOS-3-24060,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnc(Cl)cn6)n5)n34)cc2)n1C,KDGMHLQQMUUVDK-UHFFFAOYSA-N,3,1,0.325,8,927,470.888,2.586,6,0.381,0.67,0.988,0.031140771708587485,0.1844544582276746,0.055170995819340686,0.08469261873757795,0.08886471112329518
EOS-3-24061,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)n(C)n1,YHFKXPGYCBRXLR-UHFFFAOYSA-N,3,1,0.523,92,45,449.425,3.202,5,0.389,0.69,1.0,0.47680076759646356,0.42377150298128985,0.3429511342608457,0.25123363717360014,0.37368926050304985
EOS-3-24062,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)ncn2)cn1,YOXJGNQRQRFLMV-UHFFFAOYSA-N,3,1,0.38,31,194,449.837,2.847,5,0.36,0.65,1.0,0.5774792680419437,0.6400263861284353,0.3393615927626619,0.4164810499623055,0.4933370742238366
EOS-3-24063,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5F)nc4)n23)nc1,KZSBOLODVUJQIT-UHFFFAOYSA-N,3,1,0.309,32,572,467.443,3.989,6,0.387,0.69,0.989,0.22877972722911383,0.2783650880679871,0.6314423274621342,0.6539647728051539,0.4481379788910973
EOS-3-24064,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)s4)n23)cn1,PPIYRERANRBTHK-UHFFFAOYSA-N,3,1,0.321,86,812,437.492,3.772,6,0.414,0.66,0.999,0.08323624151874442,0.11953430196696593,0.19501747652662602,0.19317558769104243,0.14774090192584471
EOS-3-24065,c1ccc(-c2ncc(-c3nnc4cncc(-c5cnnc(-c6cccnn6)c5)n34)cn2)cc1,UUUWJCXNRUXSEP-UHFFFAOYSA-N,3,1,0.342,30,887,430.435,3.162,6,0.415,0.61,1.0,0.12355218970598314,0.10719793023096429,0.22640668905489686,0.27206839832773627,0.18230630182989516
EOS-3-24066,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)c1F,OTJWXDDDCXQMPW-UHFFFAOYSA-N,3,1,0.306,3,668,452.428,4.379,6,0.395,0.7,0.999,0.05111027345624015,0.2887482009457885,0.8351895003769447,0.8495733671441299,0.5061553354807757
EOS-3-24067,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(CN(C)C)nc5)n34)c(C)n2)n1,XEFCXSRIYZDAFS-UHFFFAOYSA-N,3,1,0.583,89,205,466.549,3.901,5,0.356,0.78,0.951,0.357540607223631,0.13329278322253443,0.24094476046878213,0.10223768076211363,0.2085039579192653
EOS-3-24068,N#Cc1cc(-c2nnc3cncc(OCc4cccnn4)n23)cc(-c2ccc(Cl)nc2)n1,AOEGIDGKNNLHDB-UHFFFAOYSA-N,3,1,0.462,4,534,441.842,3.142,5,0.377,0.66,0.999,0.5579124117606744,0.7086560208347612,0.5298557329860873,0.5409499006236721,0.5843435165512988
EOS-3-24069,Cc1nnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)s1,IHHCGHUIROIBRN-UHFFFAOYSA-N,3,1,0.586,72,628,433.472,3.774,5,0.402,0.66,1.0,0.6258566924816668,0.6071893633061476,0.25163628263998356,0.26337296963881845,0.4370138270166541
EOS-3-24071,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c(F)c1,UHQYXSDVXVEYRH-UHFFFAOYSA-N,3,1,0.563,37,626,434.41,2.882,5,0.379,0.67,1.0,0.6797340826536906,0.5977486121581796,0.5987081077376465,0.5734528133781098,0.6124109039819067
EOS-3-24073,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cc2C)cn1,QWZXZTAZFIDVRD-UHFFFAOYSA-N,3,1,0.494,4,464,429.509,4.209,5,0.413,0.76,1.0,0.2959786854910561,0.29419676512918924,0.2055033925022274,0.12906072236310054,0.2311848913713933
EOS-3-24074,Cn1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)cn2)n1,DJQCWXKBOJYKME-UHFFFAOYSA-N,3,1,0.474,36,926,475.448,1.05,5,0.345,0.73,1.0,0.2636042766088685,0.09730313206771297,0.024064491810019874,0.010682955246384757,0.09891371393324651
EOS-3-24075,Fc1c(Cl)nc(Cl)c(Cl)c1COc1cncc2nnc(-c3ccncc3)n12,JMJXPDXGOVQRSP-UHFFFAOYSA-N,3,1,0.569,90,555,425.638,4.26,4,0.455,0.69,1.0,0.7671167157837023,0.8166935096977589,0.9021485847440203,0.9393890069220753,0.8563369542868892
EOS-3-24076,Cn1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1-c1cccc(F)c1,ARBNIMPQIXERQG-UHFFFAOYSA-N,3,1,0.632,43,372,434.862,4.563,5,0.405,0.75,1.0,0.8090689466109245,0.8888013158796518,0.8073641285724077,0.8513210198067301,0.8391388527174285
EOS-3-24077,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cn2)ncc1F,NKEQMPZOPFNKOX-UHFFFAOYSA-N,3,1,0.398,7,128,449.837,3.113,5,0.398,0.63,1.0,0.6707045438969228,0.7225515728873964,0.2301761359742307,0.27503255431430335,0.4746162017682133
EOS-3-24078,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)c(Cl)c1,UJOQAJBAYVBCDT-UHFFFAOYSA-N,3,1,0.426,18,88,448.849,3.452,5,0.389,0.64,1.0,0.6175639092591323,0.6120468096771983,0.4537728736892605,0.5274569940374203,0.5527101466657529
EOS-3-24079,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)c(C)n1,WQAOKTQKEMIROC-UHFFFAOYSA-N,3,1,0.461,13,110,447.861,4.845,5,0.389,0.78,1.0,0.7284113494619971,0.8009303680350901,0.6908967856898088,0.6713727640326228,0.7229028168048797
EOS-3-24080,c1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cncnc5)n34)cn2)cc1,SHENJSOQTMDSDD-UHFFFAOYSA-N,3,1,0.25,39,195,418.424,2.891,6,0.429,0.69,1.0,0.003461037625933795,0.003169762182167089,0.18495133986704132,0.24252964155986567,0.10852794530875197
EOS-3-24081,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nn2)nc1,UXSAEGLVYPEIFS-UHFFFAOYSA-N,3,1,0.33,10,705,418.424,2.891,6,0.429,0.69,0.999,0.0015506133918168734,0.012190734014118292,0.20896443012816118,0.24828661503666644,0.11774809814269069
EOS-3-24083,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccnc5Cl)cn4)n23)cn1,VSOBVHMPNVNUMZ-UHFFFAOYSA-N,3,1,0.484,7,205,459.857,2.37,5,0.404,0.64,1.0,0.5321859365362209,0.45482660544171066,0.18159310533890755,0.16067267493660475,0.332319580563361
EOS-3-24084,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnc(C)nc5)n4)n23)nc1,UZGVRVZPOSGITF-UHFFFAOYSA-N,3,1,0.359,85,647,471.912,2.951,5,0.415,0.65,0.999,0.1755362894935234,0.19779316016722637,0.17198958261942293,0.1355116167500514,0.170207662257556
EOS-3-24085,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(F)cn5)n4)n23)cc1,CDKMCDWOIPYVLZ-UHFFFAOYSA-N,3,1,0.294,39,527,454.404,3.169,6,0.399,0.62,0.85,0.04222637242135563,0.14083167706120212,0.2883284216297718,0.41965081214447264,0.22275932081420055
EOS-3-24086,Clc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cnco5)ccn4)n23)c1,GYEROIWRVCXEOF-UHFFFAOYSA-N,3,1,0.462,18,367,419.832,3.511,5,0.411,0.72,1.0,0.5477006373792064,0.472200328969913,0.4098074155301213,0.4482643410321431,0.46949318072784596
EOS-3-24087,Cn1c(-c2ccccc2F)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,QEDZYIDZLKQLGF-UHFFFAOYSA-N,3,1,0.4,8,474,450.441,3.245,6,0.402,0.62,1.0,0.15926769926667123,0.31412343225275857,0.19141936810362553,0.2840706599958879,0.2372202899047358
EOS-3-24088,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)c2)o1,MFXQUBGOGSREGG-UHFFFAOYSA-N,3,1,0.333,9,598,450.437,4.413,6,0.389,0.72,1.0,0.32144815297100954,0.3480912891508464,0.46780549653896236,0.45767939140566105,0.39875608251661987
EOS-3-24089,CCn1cc(-c2nnc3cncc(OCCc4cnccn4)n23)cc(-c2ccc(C)nn2)c1=O,OXJJIJACBQNOOI-UHFFFAOYSA-N,3,1,0.41,20,658,455.482,2.15,5,0.363,0.68,1.0,0.12356075663079981,0.01622575560276883,0.055179562744157355,0.04123260914262217,0.05904967103008704
EOS-3-24090,COCc1cc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)ccn1,MDZWOKIYLTWGBH-UHFFFAOYSA-N,3,1,0.444,75,420,426.44,2.764,5,0.387,0.66,1.0,0.40895072304845453,0.18446302515249127,0.2731735316290864,0.1764700842985402,0.26076434103214313
EOS-3-24091,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)s4)n23)cc1,OECYCYPODUFCAB-UHFFFAOYSA-N,3,1,0.353,98,865,427.453,3.365,6,0.421,0.63,1.0,0.1262764717976835,0.12991741484476732,0.11770098005619903,0.12906928928791722,0.12574103899664174
EOS-3-24092,COc1ncc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,VRYGVLLODXJGGC-UHFFFAOYSA-N,3,1,0.529,59,391,463.86,4.023,5,0.372,0.72,1.0,0.8440819683366458,0.9160013021725721,0.722097525872113,0.6713813309574396,0.7883905318346927
EOS-3-24093,c1ccc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)c(Oc2cncnc2)c1,CRYPCJCDGAZDSH-UHFFFAOYSA-N,3,1,0.268,94,727,434.423,3.221,6,0.434,0.61,0.996,0.24485127818518265,0.1762302104036735,0.3582173942841478,0.3432081420053458,0.28062675621958744
EOS-3-24094,Fc1ncc(Cl)cc1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,LGXKKXAQCCUYLL-UHFFFAOYSA-N,3,1,0.488,24,912,433.834,4.015,5,0.386,0.72,1.0,0.8751713384963333,0.7928431910081557,0.7089215955040779,0.7192961414570626,0.7740580666164073
EOS-3-24095,Fc1cccnc1-c1ncncc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,VNIYJPBHQXNWIM-UHFFFAOYSA-N,3,1,0.489,75,578,448.849,3.452,5,0.364,0.7,1.0,0.7812435748063875,0.7965955040778562,0.4639675142210952,0.5375059968473717,0.6448281474881776
EOS-3-24096,CCC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)cn1,HWYDFNQOXFPXQR-UHFFFAOYSA-N,3,1,0.35,82,997,471.5,3.492,5,0.403,0.78,0.997,0.024210129531903227,0.1481820985539031,0.21938181070522925,0.14021485847440202,0.1329972243163594
EOS-3-24097,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)cn1,FGZILIKCPUULFV-UHFFFAOYSA-N,3,1,0.542,73,212,452.812,3.549,5,0.399,0.66,1.0,0.8665016105818656,0.9641988211911452,0.7221060927969296,0.7509594955794668,0.8259415050373519
EOS-3-24098,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4nncs4)n23)ccc1F,PBUQWTOJSMFBQX-UHFFFAOYSA-N,3,1,0.5,36,404,422.449,3.07,5,0.429,0.69,0.999,0.3961603042971695,0.5592745528065246,0.2479782057432664,0.2308443561099308,0.3585643547392228
EOS-3-24099,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ncn2)n1,YUXRNNBFNQLSHZ-UHFFFAOYSA-N,3,1,0.4,44,488,432.394,3.204,5,0.417,0.63,0.413,0.7342796929614146,0.5682441230895757,0.5432372695497224,0.514443835240902,0.5900512302104037
EOS-3-24100,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nn4)n23)nc1,YIBVYNRILFWZMC-UHFFFAOYSA-N,3,1,0.305,70,813,446.478,3.414,6,0.405,0.65,1.0,0.04963676238777329,0.026249057638270165,0.1816016722637242,0.16847714344458914,0.1064911589335892
EOS-3-24101,CCOc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)n1,ZLPGWYVBEIYANW-UHFFFAOYSA-N,3,1,0.327,94,871,462.477,3.29,6,0.367,0.69,0.726,0.0832448084435611,0.10048146117469674,0.19840141182920978,0.1711157562881228,0.1383108594338976
EOS-3-24102,Cc1ncc(-c2ncccc2-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cn1,XNBAJBZSGZOVEK-UHFFFAOYSA-N,3,1,0.495,65,282,444.886,3.622,5,0.366,0.69,1.0,0.7342882598862313,0.7884911932012885,0.3468148173531629,0.34001267904872867,0.5524017373723529
EOS-3-24103,Cc1nc(C)c(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)c(C)n1,ZWEMQNAVVLXZPV-UHFFFAOYSA-N,3,1,0.4,46,62,458.913,4.196,5,0.386,0.73,1.0,0.6707131108217395,0.6214190254266329,0.30983996984442463,0.27504112123912,0.46925330683297917
EOS-3-24104,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)nc2)n1,WUQUPBJEMFDVHE-UHFFFAOYSA-N,3,1,0.392,46,348,447.861,4.323,5,0.37,0.75,0.995,0.8090775135357412,0.7411932012884654,0.719493180727846,0.6972877116030429,0.7417629017887739
EOS-3-24105,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6Cl)n5)n34)cc2)o1,DGLPPFMWAPRSTE-UHFFFAOYSA-N,3,1,0.318,3,158,454.881,4.656,6,0.382,0.79,1.0,0.08792234939346172,0.2733363032006031,0.3918597080392022,0.517613597423069,0.317682989514084
EOS-3-24106,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccon4)nc3)n12,NPZNUZIUDZZMMB-UHFFFAOYSA-N,3,1,0.31,32,727,449.434,3.369,6,0.386,0.64,1.0,0.23955691864848194,0.07103694057980947,0.38818449729285176,0.3149544239599753,0.2534331951202796
EOS-3-24107,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccncc1,ZWCOPWNKJFUOPH-UHFFFAOYSA-N,3,1,0.561,35,729,442.454,4.018,5,0.352,0.73,1.0,0.9020457816462203,0.7928517579329724,0.7637070797066685,0.6512062230141868,0.777452710575012
EOS-3-24108,COc1cc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)cnn4)n23)ncc1F,FLSYYOHMZCCHHR-UHFFFAOYSA-N,3,1,0.42,65,65,445.418,2.202,5,0.368,0.64,0.998,0.6550013707079707,0.48537625933794804,0.18161023918854088,0.13344698786923445,0.3638587142759235
EOS-3-24109,Cc1cccc(OCc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5C)c4)n23)n1,KWMCQYYUUDIWIE-UHFFFAOYSA-N,3,1,0.362,14,351,427.443,3.978,5,0.392,0.74,1.0,0.5503563840723734,0.5358097457336715,0.494971215132616,0.3754711808649167,0.4891521314508944
EOS-3-24110,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)c1,RXGAIGJBEQHJII-UHFFFAOYSA-N,3,1,0.489,75,525,447.861,4.057,5,0.362,0.72,1.0,0.8462922349393461,0.8455469124802961,0.6497241450209033,0.6916678089233089,0.7583077753409636
EOS-3-24111,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncccn1,BHGUWFALYFFPSK-UHFFFAOYSA-N,3,1,0.523,11,325,447.861,4.057,5,0.362,0.72,1.0,0.9520509218011103,0.9469707353848262,0.601946405318347,0.6396837091357687,0.7851629429100131
EOS-3-24112,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccc(F)cn5)n4)n23)cc1,VOEHQNLUSFSQIH-UHFFFAOYSA-N,3,1,0.355,62,139,475.434,3.893,5,0.4,0.74,1.0,0.3115190871084915,0.352794530875197,0.5953755739839627,0.5734613803029265,0.45828764306764447
EOS-3-24113,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)c(F)c1,DLDKDPBIYYWNSL-UHFFFAOYSA-N,3,1,0.31,25,508,453.441,3.926,6,0.386,0.67,1.0,0.2959872524158728,0.32405249811527653,0.3098485367692413,0.38839010348845177,0.3295695976972106
EOS-3-24114,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n(C)c1C,UQLLWVVYQYTKBQ-UHFFFAOYSA-N,3,1,0.451,65,822,427.472,2.615,5,0.407,0.66,1.0,0.34129771777122886,0.12672195188815022,0.04604722088958947,0.026497498457953534,0.13514109725173054
EOS-3-24115,COC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5cnccn5)no4)n23)nc1,ROYGLBMANPCNBJ-UHFFFAOYSA-N,3,1,0.424,7,828,431.372,1.392,5,0.356,0.71,0.999,0.3482968953464464,0.1597560139812213,0.021134603522719484,0.007101980673017614,0.1340723733808512
EOS-3-24116,O=C(c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)cc1)N1CCCCC1,ZLLCLXZNGKZNGP-UHFFFAOYSA-N,3,1,0.327,52,376,480.507,4.076,6,0.382,0.83,1.0,0.015429031594818723,0.05190699746419025,0.00660509903365088,0.07601432389829346,0.03748886299773833
EOS-3-24118,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)nc1,FDQLKUZCANYSJZ-UHFFFAOYSA-N,3,1,0.468,18,692,431.406,3.543,5,0.38,0.67,1.0,0.767125282708519,0.6071979302309642,0.6773182098553903,0.662677335343705,0.6785796895346448
EOS-3-24119,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4cnnc(Cl)c4)n23)cc1Cl,JVDDBGPJJNBZTJ-UHFFFAOYSA-N,3,1,0.46,36,610,440.254,3.476,5,0.418,0.63,1.0,0.5041977931601672,0.6355630182989515,0.4317558769104242,0.527465560962237,0.5247455623329449
EOS-3-24120,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1cnccn1,AMBXWPIEWVHRAH-UHFFFAOYSA-N,3,1,0.75,88,222,446.873,4.662,5,0.377,0.75,1.0,0.9715321088342129,0.9812898362003976,0.8677609485299157,0.8809968473716675,0.9253949352340485
EOS-3-24121,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2F)nc1,IEWVFZOEZOSNLG-UHFFFAOYSA-N,3,1,0.533,88,490,448.408,4.287,5,0.386,0.71,1.0,0.955177849359194,0.9544068261256939,0.8770217942567337,0.8824275238160509,0.9172584983894181
EOS-3-24122,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5ncccc5F)ccn4)n23)cn1,XAMBSFGHRWSESY-UHFFFAOYSA-N,3,1,0.462,46,181,424.399,3.233,5,0.422,0.65,1.0,0.7128195462956617,0.5931653073812624,0.6611524227263381,0.6221557809608663,0.6473232643410322
EOS-3-24123,COc1cc(-c2nnc3cncc(OCc4csc(C)n4)n23)ccc1-c1nccs1,SNXNITLJLHGQRA-UHFFFAOYSA-N,3,1,0.54,4,61,436.522,4.267,5,0.393,0.77,1.0,0.37818689603180045,0.3381279555890617,0.20551195942704406,0.11581625659653211,0.2594107669111096
EOS-3-24124,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)n2)cc1Cl,ZQKUJHXNDZKWRV-UHFFFAOYSA-N,3,1,0.281,10,748,470.859,3.684,6,0.383,0.71,0.326,0.0422349393461723,0.16754334863957235,0.3393701596874786,0.534507573161538,0.2709140052086903
EOS-3-24125,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)nc4)n23)cn1,QLDKECQEIFOMDA-UHFFFAOYSA-N,3,1,0.313,70,522,450.441,3.245,6,0.376,0.66,0.852,0.1784661777808238,0.23738948666986498,0.3211140429031595,0.33038345555479404,0.2668382907271606
EOS-3-24126,Cn1cc(-c2cc(F)nc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c2)nn1,UAUVZOQWTQIGMO-UHFFFAOYSA-N,3,1,0.312,38,608,450.441,3.245,6,0.376,0.66,1.0,0.0710026728805428,0.1637225001713385,0.36202110890274825,0.35582722226029745,0.23814337605373176
EOS-3-24127,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnn(C)c6)nn5)n34)cn2)n(C)n1,IAZRWOIUURIHNK-UHFFFAOYSA-N,3,1,0.269,99,312,438.459,1.876,6,0.409,0.6,1.0,0.010006168185868,0.0162343225275855,0.06082516619834144,0.042483380165855664,0.03238725926941265
EOS-3-24128,Cc1cnnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cc2F)n1,ALVYAEIZAJOFRO-UHFFFAOYSA-N,3,1,0.62,13,573,451.824,4.676,5,0.392,0.74,1.0,0.9239171407031732,0.9196251113700226,0.8480056199026798,0.872652662600233,0.8910501336440271
EOS-3-24129,Fc1cnncc1CCOc1cncc2nnc(-c3ccc(-c4nncs4)cc3F)n12,OWTMSJJAESAPJD-UHFFFAOYSA-N,3,1,0.578,37,832,438.423,3.0,5,0.399,0.67,1.0,0.7923891439928723,0.8808083750257008,0.4743163593996299,0.49428586114728257,0.6604499348913714
EOS-3-24130,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)c(F)c1,BLMVMFWZCBNSCO-UHFFFAOYSA-N,3,1,0.483,73,980,452.4,3.461,5,0.389,0.67,1.0,0.5425604824892056,0.5540829963676239,0.5987166746624631,0.6102820231649647,0.5764105441710644
EOS-3-24131,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cc1,HCOCPVPDWZUCLY-UHFFFAOYSA-N,3,1,0.348,69,695,427.471,4.977,6,0.395,0.82,1.0,0.15123192378863684,0.14440408470975258,0.6229867726680831,0.642613597423069,0.3903090946473854
EOS-3-24132,NC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5cnn(C(F)F)c5)cn4)n23)cc1,FZNUEOXKHHZPPA-UHFFFAOYSA-N,3,1,0.469,27,51,451.397,2.246,5,0.401,0.6,1.0,0.3710677815091495,0.2120228222877116,0.529864299910904,0.3368600507161949,0.36245373860599
EOS-3-24133,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)c(F)c5)n34)nn2)n1,WJWQNILJXXRDHI-UHFFFAOYSA-N,3,1,0.341,10,620,454.404,3.169,6,0.374,0.65,1.0,0.03236584195737098,0.18043657048865738,0.5667449112466589,0.6308340758001508,0.3525953498732095
EOS-3-24134,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)c(F)c1,DCTIGKNCVKFDNL-UHFFFAOYSA-N,3,1,0.338,3,581,467.443,3.989,6,0.387,0.7,0.999,0.170130559934206,0.3331934068946611,0.5953841409087793,0.6772411075320403,0.4439873038174217
EOS-3-24135,Cc1ncc(C2CC2)cc1COc1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12,PUUMLCSFURQAAX-UHFFFAOYSA-N,3,1,0.535,68,127,426.402,4.365,5,0.472,0.71,1.0,0.792397710917689,0.7884997601261051,0.8987817832910698,0.8034319100815571,0.8207777911041052
EOS-3-24136,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)nc1C,UBHFFCCLUSGJTQ-UHFFFAOYSA-N,3,1,0.522,65,981,424.468,3.277,5,0.409,0.66,1.0,0.5802121170584607,0.44591700363237613,0.1593019669659379,0.1134774861215818,0.3247271434445891
EOS-3-24138,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nc1,VAVBMHZIWNLNDS-UHFFFAOYSA-N,3,1,0.453,18,795,419.445,3.465,5,0.416,0.71,1.0,0.5664707696525255,0.5782417243506272,0.25866116098965114,0.2929545610307724,0.4240820540058941
EOS-3-24139,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(-c3cnnc(-c4ccccn4)n3)n12,ZWHBQENRPZLYPI-UHFFFAOYSA-N,3,1,0.323,98,63,463.465,2.509,6,0.375,0.64,0.956,0.04224350627098897,0.023910287163319853,0.12048523062161606,0.10016448495648002,0.07170087725310123
EOS-3-24140,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nc(C)n2)cn1,VDAVVLRTVKDZSJ-UHFFFAOYSA-N,3,1,0.568,44,500,457.925,4.535,5,0.369,0.75,1.0,0.6430505105887191,0.6552926461517373,0.47432492632444656,0.4732283599479131,0.561474110753204
EOS-3-24141,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc1,BRTYJVYFVACIIY-UHFFFAOYSA-N,3,1,0.543,16,320,420.383,2.839,5,0.404,0.69,1.0,0.7098810910835447,0.48995956411486535,0.6019549722431636,0.5345161400863546,0.584077941881982
EOS-3-24143,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnn(C)c5F)c4)n23)cc1,XEPUIZVGRSHZIP-UHFFFAOYSA-N,3,1,0.394,14,319,432.89,4.884,5,0.406,0.8,1.0,0.3435165512987458,0.4237800699061065,0.8783496676033171,0.8768247549859502,0.63061776094853
EOS-3-24144,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccccc4)n23)cc1,IXXLQPXRMZWZEK-UHFFFAOYSA-N,3,1,0.368,9,625,432.491,4.259,6,0.416,0.7,1.0,0.06320677129737509,0.037446028373654995,0.4778544993489137,0.4700243300664793,0.26213290727160576
EOS-3-24145,Fc1cncc(Cl)c1COc1cncc2nnc(-c3cc(-c4ncccn4)[nH]n3)n12,JZMXWDXBZPIOCU-UHFFFAOYSA-N,3,1,0.396,46,980,423.799,2.738,5,0.458,0.66,0.999,0.5664793365773422,0.4052326776780207,0.3881930642176684,0.45447536152422724,0.45359510999931457
EOS-3-24146,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5F)n34)c2)nn1,KDCAFMMUJQPIFG-UHFFFAOYSA-N,3,1,0.302,86,596,451.429,2.64,6,0.398,0.62,0.998,0.08549790967034473,0.19330409156329245,0.3321225412925776,0.35928825988623125,0.24255320060311153
EOS-3-24147,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5nnn(C)n5)ncn4)n23)nc1,JGGHBOAYAKPXRS-UHFFFAOYSA-N,3,1,0.32,33,60,428.42,0.117,5,0.408,0.59,0.535,0.0527465560962237,0.023918854088136522,0.007204783770817627,0.001927558083750257,0.021449438009732025
EOS-3-24148,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)cn2)n1,OEZGQSRXOZGFSZ-UHFFFAOYSA-N,3,1,0.317,70,812,451.519,4.081,6,0.398,0.71,0.998,0.09520423548762937,0.12307244191624975,0.15000685353985332,0.12907785621273388,0.12434034678911658
EOS-3-24149,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cc5F)cn4)n23)ccn1,ZFQBSAHWRFQOKO-UHFFFAOYSA-N,3,1,0.3,39,72,469.419,2.779,6,0.383,0.65,1.0,0.1293348639572339,0.202573504214927,0.2953790007538894,0.40358782811322047,0.25771879925981767
EOS-3-24150,Cn1cnc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5cnn(C(F)F)c5)n34)cn2)c1,DJUPQNMOZZFCDG-UHFFFAOYSA-N,3,1,0.27,86,249,460.412,2.426,6,0.384,0.66,0.968,0.0034696045507504624,0.08815365636351176,0.3321311082173943,0.2781594818723871,0.1754784627510109
EOS-3-24151,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccn(C)n6)cc5)n34)nn2)cn1,QJFVUPHDIGFLGS-UHFFFAOYSA-N,3,1,0.307,98,620,423.444,2.173,6,0.427,0.63,1.0,0.0034781714755671303,0.009432184223151258,0.1655044205332054,0.14247652662600233,0.08022282571448153
EOS-3-24152,COc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3nccnc3-c3ccccn3)n12,HOQHPEYDMWUELO-UHFFFAOYSA-N,3,1,0.303,39,495,463.465,2.509,6,0.375,0.66,0.999,0.09762867521074635,0.03745459529847166,0.06282125968062505,0.06169899252964156,0.06490088067987115
EOS-3-24153,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(Oc5cccnc5)cc4)n23)cn1,PNDQKFWOCBLAAU-UHFFFAOYSA-N,3,1,0.59,1,881,446.417,4.89,5,0.352,0.84,0.999,0.9608491535878281,0.7715972174628195,0.9032622849701871,0.8183811938866424,0.8635224624768693
EOS-3-24154,Cc1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c2)c(C)n1,QOHMFEXFNYKJHC-UHFFFAOYSA-N,3,1,0.5,89,788,470.468,3.077,5,0.4,0.66,0.999,0.5321945034610376,0.3240610650400932,0.39929579878006993,0.2602032074566514,0.378938643684463
EOS-3-24155,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)cn2)n(C)n1,WBVZAQDGDJEMND-UHFFFAOYSA-N,3,1,0.309,70,687,463.48,4.158,6,0.387,0.72,1.0,0.1398464807072853,0.24277808237954904,0.44644815297100954,0.4229062435748064,0.31299473990816257
EOS-3-24156,N#Cc1cccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)n1,PETFMQGUOQUVDB-UHFFFAOYSA-N,3,1,0.366,46,181,442.389,3.372,5,0.407,0.61,1.0,0.7463847577273662,0.5782502912754438,0.805265231992324,0.7736190117195532,0.7258798231786718
EOS-3-24157,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)cn4)n23)nc1,MCRMBMQNOYDNMD-UHFFFAOYSA-N,3,1,0.292,86,977,466.896,3.759,6,0.386,0.71,1.0,0.2010571585223768,0.2071825097662943,0.2622678363374683,0.2959786854910561,0.24162154752929887
EOS-3-24158,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccn2)nc1,MKXSKJORELFDPF-UHFFFAOYSA-N,3,1,0.477,73,775,436.357,3.035,5,0.414,0.6,1.0,0.87517990542115,0.7757693098485368,0.7064714550065109,0.6887893221849085,0.7615524981152765
EOS-3-24159,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(F)nn5)c(F)c4)n23)nc1,JMFJLHZKMGVROL-UHFFFAOYSA-N,3,1,0.411,46,915,436.357,3.035,5,0.414,0.6,0.999,0.7463933246521829,0.6355715852237681,0.6286152422726338,0.6455691864848194,0.664037334658351
EOS-3-24160,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)c(F)c1,GOMLHZLPVHIULU-UHFFFAOYSA-N,3,1,0.3,86,673,453.416,3.774,6,0.401,0.62,0.996,0.025169625111370022,0.22763175930368035,0.7014169693646769,0.7271691453635802,0.4203468747858269
EOS-3-24161,COc1cc(C#N)ccc1-c1nnc2cncc(-c3cccc(-c4cncc(Cl)n4)n3)n12,AFBRIZUAGSSKAJ-UHFFFAOYSA-N,3,1,0.405,76,155,440.854,3.844,5,0.414,0.66,1.0,0.40453018984305394,0.4281063669385238,0.6409259132341855,0.6277842505654171,0.525336680145295
EOS-3-24162,Cc1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)nn1,JHJCAYHUACFXGW-UHFFFAOYSA-N,3,1,0.295,98,7,433.439,2.799,6,0.445,0.58,1.0,0.09763724213556302,0.0942618737577959,0.2157751353574121,0.20734528133781097,0.1537548831471455
EOS-3-24163,Fc1cc(-c2cnccn2)cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,LGSYSRODPIKTGM-UHFFFAOYSA-N,3,1,0.5,20,279,448.849,3.452,5,0.389,0.63,1.0,0.7551915564389007,0.8421544102528956,0.5021502981289836,0.5638321568089918,0.6658321054074429
EOS-3-24164,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)cc(C)n4)n23)cc1,YHJOLILXUYQQGU-UHFFFAOYSA-N,3,1,0.5,72,613,443.898,4.493,5,0.395,0.71,1.0,0.7641097251730519,0.7180111027345624,0.570017476526626,0.5240302241107532,0.6440421321362484
EOS-3-24165,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,ZTHSWRXFYXDVRJ-UHFFFAOYSA-N,3,1,0.411,92,728,420.824,2.004,5,0.42,0.68,1.0,0.4940288534027825,0.5040778562127339,0.11167843191008156,0.1711243232129395,0.32022736618463443
EOS-3-24166,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3F)n12,XRLAGJNUXRLEOE-UHFFFAOYSA-N,3,1,0.494,73,82,451.824,4.154,5,0.396,0.68,1.0,0.945531492015626,0.92518504557604,0.8634260845726818,0.867829483928449,0.9004930265231992
EOS-3-24167,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccn2)nc1,ICELFWAFYZHJCZ-UHFFFAOYSA-N,3,1,0.506,73,665,451.824,4.154,5,0.396,0.68,1.0,0.9130371461860051,0.8642485093550819,0.7994996915907066,0.8343328078952779,0.8527795387567678
EOS-3-24168,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnn(C)c5)n4)n23)cc1,ONXLNOSLVYPRQN-UHFFFAOYSA-N,3,1,0.346,74,333,411.429,2.008,5,0.481,0.76,1.0,0.09521280241244603,0.026257624563086834,0.1914279350284422,0.11101021177438147,0.10597714344458913
EOS-3-24169,COc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)nc1,WBQFCMCPSPWSBF-UHFFFAOYSA-N,3,1,0.341,25,213,462.477,3.114,6,0.38,0.67,1.0,0.20106572544719348,0.10375402645466383,0.1719981495442396,0.16068124186142144,0.15937478582687958
EOS-3-24170,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4)n23)cn1,QUCJYYRCBVEVKO-UHFFFAOYSA-N,3,1,0.28,70,899,462.477,3.114,6,0.38,0.67,0.994,0.17847474470564045,0.10720649715578096,0.16879411966280583,0.12703892810636694,0.14537857240764854
EOS-3-24171,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccnc(F)c4)n23)cn1,VJFCHSFFSZOBQY-UHFFFAOYSA-N,3,1,0.253,39,972,451.429,2.64,6,0.372,0.66,0.995,0.16209478445617162,0.18044513741347407,0.15001542046467,0.19569426358714276,0.1720624014803646
EOS-3-24172,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5cnn(C)c5F)c4)n23)n(C)n1,OTIAXAJRAAXKEK-UHFFFAOYSA-N,3,1,0.466,92,662,419.424,2.347,5,0.431,0.7,1.0,0.3620382427523816,0.30400589404427386,0.18813823589884174,0.12264409567541636,0.24420661709272837
EOS-3-24173,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)n1,XGGFNJLMZTZGSE-UHFFFAOYSA-N,3,1,0.307,32,664,451.881,4.149,6,0.371,0.72,0.998,0.013115961894318415,0.14819066547871976,0.4464567198958262,0.5107857583441848,0.2796372764032623
EOS-3-24174,Clc1cnncc1CCOc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,UDGHDMRQPVGQHH-UHFFFAOYSA-N,3,1,0.494,11,503,429.871,3.918,5,0.404,0.67,1.0,0.6767613597423069,0.6793828387362073,0.5264632307586868,0.6193372626961826,0.6254861729833459
EOS-3-24175,COc1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4Cl)n23)c(F)c1,HRQVRYZKAYZBQS-UHFFFAOYSA-N,3,1,0.398,68,225,438.772,3.992,4,0.354,0.75,1.0,0.7371496127749982,0.8051538619697074,0.9485213487766432,0.8934531560551024,0.8460694948941128
EOS-3-24176,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)no4)n23)cc1,IQGUGJGXDIIMEV-UHFFFAOYSA-N,3,1,0.608,43,389,440.25,4.122,5,0.402,0.71,0.999,0.890317661572202,0.8986789801932699,0.5535604139538072,0.6742169830717566,0.754193509697759
EOS-3-24177,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)nc4)n23)nc1,JJBPOEDYTDGMJM-UHFFFAOYSA-N,3,1,0.297,70,314,450.441,3.245,6,0.376,0.64,0.981,0.21207422383661162,0.26817044753615243,0.29903707765060655,0.3303920224796107,0.2774184428757453
EOS-3-24178,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccncc1,QCZUHSQCEJKLOQ-UHFFFAOYSA-N,3,1,0.623,97,71,432.846,4.62,5,0.403,0.74,1.0,0.795361866904256,0.8754540470152834,0.8823932561167843,0.8947895963265027,0.8619996915907066
EOS-3-24179,Cc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)s4)n23)c1,DEXMWQCVMPAJQI-UHFFFAOYSA-N,3,1,0.234,99,601,453.495,2.871,6,0.396,0.63,0.998,0.02104036734973614,0.04111267219518881,0.02510108971283668,0.046381330957439515,0.03340886505380029
EOS-3-24180,Cn1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c2)n1,ZQVXUDUSSNHSGA-UHFFFAOYSA-N,3,1,0.291,86,899,435.455,2.444,6,0.414,0.61,0.986,0.12356932355561648,0.05961722979919128,0.14090877938455212,0.11806079089849908,0.11053903090946474
EOS-3-24181,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)s1,JZSRSHQTOSWOLW-UHFFFAOYSA-N,3,1,0.309,76,272,437.492,3.772,6,0.414,0.67,1.0,0.04225207319580564,0.08816222328832843,0.1379103556987184,0.1606898087862381,0.10725361524227264
EOS-3-24182,Cc1cc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5cncnc5)n34)c2)ccn1,BDXJNMYEPAZYJH-UHFFFAOYSA-N,3,1,0.235,86,953,433.439,2.594,6,0.412,0.61,0.998,0.012267836337468302,0.003855116167500514,0.14673428825988624,0.142485093550819,0.07633558357891851
EOS-3-24183,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(F)c5)n4)n23)nc1,JECQKONWOCRYQB-UHFFFAOYSA-N,3,1,0.396,46,267,461.388,3.199,5,0.379,0.69,0.999,0.4363477486121582,0.11615036666438215,0.559857103694058,0.45136556781577686,0.3909301966965938
EOS-3-24184,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6F)n5)n34)cc2)nc1,HSUNDAXGGIFMGG-UHFFFAOYSA-N,3,1,0.309,3,289,448.465,4.549,6,0.393,0.71,1.0,0.028827702008087177,0.2427866493043657,0.5598656706188746,0.5979970529778631,0.35736926872729763
EOS-3-24185,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnc2F)cn1,JWBSVYWJQLPVMI-UHFFFAOYSA-N,3,1,0.533,87,349,430.447,3.225,5,0.366,0.73,1.0,0.5166969364676856,0.4052412446028374,0.3136094167637585,0.26021177438146803,0.37393984305393735
EOS-3-24186,Cc1nc(-c2cnc(COc3cncc4nnc(-c5cccnc5)n34)o2)nn1-c1ccccc1,KAQFSUQRBPBSQD-UHFFFAOYSA-N,3,1,0.484,28,363,451.45,3.309,6,0.375,0.7,1.0,0.21208279076142827,0.1933126584881091,0.0647488177643753,0.06320677129737509,0.13333775957782196
EOS-3-24187,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)cn1,ZPJMLKHZYTWFRI-UHFFFAOYSA-N,3,1,0.541,24,99,430.859,3.579,5,0.39,0.68,1.0,0.49160441367966556,0.5402988143376054,0.37720169967788364,0.3627321636625317,0.4429592728394216
EOS-3-24188,Cc1cc(-c2nnc3cncc(OCc4ncnc(-c5ncccn5)n4)n23)ccc1Cl,JTFICDOZHACVJL-UHFFFAOYSA-N,3,1,0.477,73,839,431.847,2.974,5,0.413,0.63,1.0,0.8090860804605579,0.8455554794051128,0.15596943321225412,0.2013827016654102,0.5029984236858337
EOS-3-24189,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccnc(F)c5)n4)n23)c1,YWXXREPYHGIGFE-UHFFFAOYSA-N,3,1,0.315,39,527,454.404,3.169,6,0.374,0.64,0.964,0.014615173737235282,0.10721506408059762,0.33213967514221093,0.44492324035364267,0.22472328832842164
EOS-3-24190,Cn1cc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)cn2)cn1,INOIAMTWXSFSRB-UHFFFAOYSA-N,3,1,0.25,99,880,421.428,2.23,6,0.425,0.64,1.0,0.0004883147145500651,0.0009680625042834624,0.09874237543691317,0.13135665821396753,0.05788885271742855
EOS-3-24191,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)cn2)nc1C,WZSSCCXYXAOPGZ-UHFFFAOYSA-N,3,1,0.576,87,579,443.536,4.252,5,0.387,0.73,1.0,0.6230124734425331,0.5173480227537524,0.06886950860119252,0.049199849222123226,0.3146074635049003
EOS-3-24192,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)n1,HMWDCWUAETVWKS-UHFFFAOYSA-N,3,1,0.307,38,193,421.424,3.304,6,0.426,0.66,1.0,0.139855047632102,0.05962579672400795,0.19840997875402647,0.2219775889246796,0.154967103008704
EOS-3-24193,Fc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)cn1,WLZWSXPSHQZXJN-UHFFFAOYSA-N,3,1,0.464,55,959,434.822,3.41,5,0.387,0.65,1.0,0.6004043588513467,0.8352152011513947,0.6611609896511548,0.6860993077924749,0.6957199643615928
EOS-3-24194,Cc1cc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)cc(-c2ccnnc2)n1,UTBXBQDCGRNTOI-UHFFFAOYSA-N,3,1,0.326,82,336,424.468,3.241,5,0.468,0.61,1.0,0.20940991021862793,0.1195428688917826,0.5700260434514427,0.3304005894044274,0.30734485299157016
EOS-3-24195,Cc1cc(-c2nnc3cncc(OCc4nc(-c5cnccn5)no4)n23)ccc1Cl,HCOZBPSOCGMHDO-UHFFFAOYSA-N,3,1,0.5,7,540,420.82,3.172,5,0.422,0.73,1.0,0.5503649509971901,0.6841974504831746,0.20179391405661024,0.2633815365636351,0.42493446302515253
EOS-3-24196,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)cc(C#N)n2)nn1,NOCSUDVVOBHVKV-UHFFFAOYSA-N,3,1,0.478,92,99,428.441,2.254,5,0.409,0.66,0.997,0.46445582893564524,0.40069220752518675,0.11477109176889863,0.09815125762456309,0.26951759646357343
EOS-3-24197,Clc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)ncn1,FCBNIAACBQXEQS-UHFFFAOYSA-N,3,1,0.478,65,76,430.859,3.313,5,0.378,0.67,1.0,0.7128281132204783,0.722560139812213,0.467814063463779,0.47606401206223015,0.5948165821396751
EOS-3-24198,NC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OCCc4ccc(Cl)nc4)n23)cn1,DBCAOVCHAWAELO-UHFFFAOYSA-N,3,1,0.383,82,204,472.896,3.017,5,0.357,0.77,0.999,0.43174730998560756,0.3240696319649099,0.2694297854842026,0.22790590089781373,0.31328815708313346
EOS-3-24199,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn2)cn1,FHWYVJLTNRJYDZ-UHFFFAOYSA-N,3,1,0.695,84,360,461.888,4.366,5,0.371,0.77,1.0,0.9513827016654102,0.9563086834349942,0.7566393667329175,0.727177712288397,0.8478771160304297
EOS-3-24200,CCc1nc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4OC)n23)ccc1F,BGWXZEZIDGTROL-UHFFFAOYSA-N,3,1,0.489,4,248,457.469,3.932,5,0.362,0.75,1.0,0.6857994654238915,0.6598245493797547,0.409815982454938,0.27816804879720375,0.5084020115139469
EOS-3-24202,Fc1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5F)n34)cn2)cc1,HINFXPZSQKCOPP-UHFFFAOYSA-N,3,1,0.301,39,144,470.418,4.518,6,0.377,0.78,1.0,0.03926221643478857,0.19780172709204305,0.8207285312864094,0.8768333219107669,0.483656449181002
EOS-3-24203,Cc1nc(COc2cncc3nnc(-c4cc(F)cc(-c5ncon5)c4)n23)ccc1F,OJVBLXSASQOTCM-UHFFFAOYSA-N,3,1,0.588,4,439,421.367,3.402,5,0.425,0.72,1.0,0.5529093276677404,0.47220889589472964,0.6019635391679803,0.5540658625179905,0.5452869063121102
EOS-3-24204,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4nc(Cl)cnc4F)n23)cc1,KGDRODNVSAMRPU-UHFFFAOYSA-N,3,1,0.494,20,353,450.865,3.396,5,0.391,0.65,1.0,0.8772274004523336,0.7885083270509218,0.3246693167020766,0.3592968268110479,0.587425467754095
EOS-3-24205,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)ccn1,BTNUSVJSGWIAIT-UHFFFAOYSA-N,3,1,0.547,35,161,444.445,4.456,5,0.385,0.72,1.0,0.9314646014666575,0.9233003221163731,0.8746230553080666,0.842274347200329,0.8929155815228567
EOS-3-24206,Cc1ncc(-c2nnc3cncc(OCCc4cncnc4)n23)c(-c2ccc(F)nn2)n1,SAPWGMFYCFZEFZ-UHFFFAOYSA-N,3,1,0.442,65,361,430.407,1.897,5,0.394,0.64,0.968,0.7342968268110479,0.640034953053252,0.08686005071619492,0.0901925844698787,0.38784610376259343
EOS-3-24207,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4F)n23)nn1,CIYBFFHHZLIQOE-UHFFFAOYSA-N,3,1,0.329,39,972,451.429,2.64,6,0.398,0.61,0.491,0.12357789048043315,0.17168974025083955,0.09165752861352888,0.1629771777122884,0.1374755842642725
EOS-3-24208,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(Cl)c5)cn4)n23)nc1,DPKMNNMGFNZYHX-UHFFFAOYSA-N,3,1,0.404,33,53,473.884,2.63,5,0.369,0.69,0.999,0.44104242341169214,0.37189020629154956,0.2409533273935988,0.1793914056610239,0.30831934068946615
EOS-3-24209,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(Br)cc3)n12,OIFISERLQAGJAZ-UHFFFAOYSA-N,3,1,0.449,22,311,467.718,4.065,5,0.372,0.73,1.0,0.19833287643067646,0.42811493386334043,0.2338684805702145,0.4482729079569598,0.32714729970529777
EOS-3-24210,Cn1ncnc1-c1nccnc1COc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,RYNVJIADNWXPQP-UHFFFAOYSA-N,3,1,0.452,56,8,463.465,2.413,6,0.362,0.65,1.0,0.37583955863203344,0.18447159207730793,0.04763210198067302,0.04369131656500583,0.16290864231375504
EOS-3-24211,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5ncccn5)n4)n23)cc1,QVSCFVWPFDOKLB-UHFFFAOYSA-N,3,1,0.418,56,428,463.465,2.413,6,0.362,0.65,1.0,0.43635631553697485,0.20719107669111095,0.06670207662257556,0.05169282434377356,0.1904855732986087
EOS-3-24213,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccc2F)c(C)n1,DYLVZBXPKKYBSI-UHFFFAOYSA-N,3,1,0.584,15,545,443.486,4.139,5,0.376,0.76,1.0,0.5802206839832773,0.5782588582002605,0.39186827496401894,0.33686861764101156,0.4718041086971421
EOS-3-24214,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cc(-c4ccccc4)ncn3)n12,NMUXFKQNRZOSOI-UHFFFAOYSA-N,3,1,0.402,44,488,433.834,4.015,5,0.413,0.66,0.975,0.757864436981701,0.6598331163045713,0.7325063395243643,0.7759492152696867,0.7315382770200808
EOS-3-24215,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1ccncc1,OZRGGCILBCQREH-UHFFFAOYSA-N,3,1,0.517,97,83,442.454,4.283,5,0.388,0.72,1.0,0.6614351312452882,0.679391405661024,0.735144952367898,0.5980056199026798,0.6684942772942224
EOS-3-24216,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cc1,MHFUXDAJKJNCLH-UHFFFAOYSA-N,3,1,0.361,86,312,421.428,2.229,6,0.425,0.66,1.0,0.0023045027756836405,0.01219930093893496,0.17200671646905627,0.1793999725858406,0.09147762319237887
EOS-3-24217,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)s1,QJRQTAGEBAZWPR-UHFFFAOYSA-N,3,1,0.57,37,161,451.462,3.913,5,0.387,0.69,1.0,0.7812521417312042,0.805162428894524,0.5056113357549175,0.507478925364951,0.6498762079363991
EOS-3-24218,Cc1ccc(-c2nnc3cncc(Cc4cncc(-c5nc(C)no5)c4)n23)c(Cl)c1,PZSNBWQYGDTPLO-UHFFFAOYSA-N,3,1,0.324,85,81,417.86,4.097,5,0.434,0.75,1.0,0.22584983894181346,0.36726406689054897,0.41690939620313894,0.45448392844904395,0.36612680762113636
EOS-3-24220,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncn6)cc5)n34)s2)cn1,UCONZKSDODRJOC-UHFFFAOYSA-N,3,1,0.303,38,193,436.504,4.377,6,0.408,0.71,1.0,0.11560208347611542,0.10049002809951339,0.48846035227194845,0.4513741347405935,0.2889816496470427
EOS-3-24221,Fc1cccc(OCc2cncc3nnc(-c4cc(F)cc(-c5ccnc(F)c5)c4)n23)c1,XFXFOEUBRPNMBK-UHFFFAOYSA-N,3,1,0.404,57,189,433.393,4.85,5,0.371,0.83,1.0,0.5349273524775546,0.762816119525735,0.9624854362278117,0.9644729627852786,0.8061754677540951
EOS-3-24222,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccnc(F)c5)n4)n23)cc1,WTDZHGRYAKPPGC-UHFFFAOYSA-N,3,1,0.317,8,890,439.418,2.369,6,0.384,0.6,1.0,0.024218696456719896,0.15607223631005415,0.18814680282365842,0.21349633335617846,0.14548351723665273
EOS-3-24223,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)cnn2)nc1,BFEMVEHYRWPYAP-UHFFFAOYSA-N,3,1,0.278,86,812,447.466,2.809,6,0.401,0.61,0.995,0.0855064765951614,0.04112123912000548,0.10124391748338017,0.09020115139469537,0.07951819614831061
EOS-3-24224,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)n2)nn1,MXFNCKAFGOURBG-UHFFFAOYSA-N,3,1,0.277,76,813,447.466,2.809,6,0.401,0.61,1.0,0.03237440888218765,0.03463607703378795,0.08457268179014461,0.0777362757864437,0.057329860873140986
EOS-3-24225,Cn1cc(-c2cnc(-c3nnc4cncc(-c5nnn(-c6ccccc6Cl)n5)n34)cn2)cn1,ATYZCTVKMDVKBL-UHFFFAOYSA-N,3,1,0.276,99,952,456.861,2.278,6,0.392,0.63,0.996,0.015437598519635392,0.11955143581659927,0.06282982660544172,0.13136522513878418,0.08229602152011514
EOS-3-24226,Fc1ccnc(-c2nncc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)n2)c1,RHMPDWPBZQUWPO-UHFFFAOYSA-N,3,1,0.283,94,892,449.413,2.696,6,0.395,0.61,0.345,0.20381570831334384,0.2783736549928038,0.15931053389075459,0.23967685559591528,0.2202941881982044
EOS-3-24227,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnnn6)nc5)n34)c2)nn1,POYFCLGOQHLXHP-UHFFFAOYSA-N,3,1,0.279,98,727,433.439,2.501,6,0.412,0.61,1.0,0.04791481049962305,0.02866493043657049,0.20180248098142692,0.22198615584949627,0.12509209444177918
EOS-3-24228,Cn1nncc1-c1cc(-c2cncc3nnc(-c4cncnc4-c4cccnc4)n23)cnn1,WACVQLVDBGFGEA-UHFFFAOYSA-N,3,1,0.253,86,719,434.427,1.896,6,0.404,0.61,0.659,0.03634089507230485,0.02392742101295319,0.08939586046192859,0.10864574052498115,0.06457747926804194
EOS-3-24229,Cn1nc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,RSBYKYANUROLJV-UHFFFAOYSA-N,3,1,0.423,71,415,451.454,2.346,6,0.404,0.64,1.0,0.38276163388390105,0.27838222191762046,0.1288551161675005,0.1022462476869303,0.22306130491398807
EOS-3-24230,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)ccn2)cn1,WFZLBAOGZUJNKR-UHFFFAOYSA-N,3,1,0.489,59,577,461.432,3.647,5,0.362,0.71,1.0,0.6888407237338086,0.5977571790829964,0.7195017476526626,0.6567575902953876,0.6657143101912137
EOS-3-24231,Cc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)cn1,GFGIACUFECDORX-UHFFFAOYSA-N,3,1,0.376,82,453,409.413,2.113,5,0.476,0.85,1.0,0.11278356521143171,0.028673497361387155,0.14377869919813585,0.08643170447536153,0.09291686656157906
EOS-3-24232,Cc1nnc(-c2cc(COc3cncc4nnc(-c5cc(F)cc(Cl)c5)n34)ncn2)o1,JWHVVOFUXLMLQQ-UHFFFAOYSA-N,3,1,0.625,4,633,438.81,3.311,5,0.407,0.63,1.0,0.4768093345212802,0.5782674251250771,0.3468233842779796,0.40676615722020426,0.45216657528613524
EOS-3-24233,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2C)n1,USDMORGBKRFYEO-UHFFFAOYSA-N,3,1,0.423,95,493,446.902,3.565,5,0.393,0.7,0.96,0.4024227263381537,0.3433452128024124,0.2516448495648002,0.2692413131382359,0.31666352546090054
EOS-3-24234,Fc1ccnc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c1,QPXDNTMDQLMVSY-UHFFFAOYSA-N,3,1,0.447,18,873,432.394,2.938,5,0.403,0.62,1.0,0.697647522445343,0.5266517031046536,0.5767596463573436,0.6039853334247138,0.6012610513330136
EOS-3-24235,COc1nc(-c2nncn2C)ccc1-c1nnc2cncc(-c3ccc(F)c(CO)n3)n12,LAAYJCJEZAYBLE-UHFFFAOYSA-N,3,1,0.308,50,259,433.407,1.684,5,0.44,0.65,0.793,0.3982420670276198,0.4193595367007059,0.10125248440819683,0.0864402714001782,0.2513235898841752
EOS-3-24236,COc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cccc(-c4ncc(C)nn4)n3)n12,GZAFVVYGWVROQX-UHFFFAOYSA-N,3,1,0.344,74,423,439.439,2.121,5,0.435,0.58,0.999,0.21209135768624496,0.08817079021314508,0.08940442738674526,0.04249194709067233,0.10803963059420191
EOS-3-24237,Clc1ncc(COc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)s1,NBWYSQSLDBMZGW-UHFFFAOYSA-N,3,1,0.506,16,55,421.873,3.937,5,0.424,0.73,1.0,0.5977057775340964,0.5977657460078131,0.4169179631279556,0.4449318072784593,0.5143303234870811
EOS-3-24239,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)c4)n23)nc1,GOSZSZHGGAYFJN-UHFFFAOYSA-N,3,1,0.413,46,346,414.404,3.065,5,0.432,0.77,1.0,0.7840535261462546,0.5833904461654444,0.3733979850592831,0.3209255705571928,0.5154418819820438
EOS-3-24240,Cn1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1-c1cnc(C#N)cn1,HHIZIXURBONSKM-UHFFFAOYSA-N,3,1,0.409,7,128,444.846,2.481,5,0.4,0.64,1.0,0.41339695702830515,0.5128846549242684,0.24096189431841547,0.27504968816393666,0.3605732986087314
EOS-3-24241,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)cc5F)nn4)n23)nc1,JBDHKAOLMPJFEW-UHFFFAOYSA-N,3,1,0.429,46,446,432.394,3.204,5,0.417,0.61,1.0,0.6175724761839491,0.6501781920361867,0.45378144061407716,0.4882290453018984,0.5524402885340278
EOS-3-24242,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)[nH]n2)nc1,PZCMYRVBQAFTKB-UHFFFAOYSA-N,3,1,0.447,18,963,436.838,3.385,5,0.434,0.65,0.982,0.597714344458913,0.5266602700294702,0.5598742375436914,0.6337468302378179,0.5794989205674731
EOS-3-24243,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)nn5)n4)n23)cc1,JZKCNMIEDZWOEP-UHFFFAOYSA-N,3,1,0.312,98,882,456.861,2.278,6,0.392,0.62,1.0,0.013861284353368515,0.1481992324035364,0.06887807552600918,0.11348605304639846,0.08610616133232814
EOS-3-24244,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(CO)nc5)n34)c2)cn1,QCJFYVQYOZGSND-UHFFFAOYSA-N,3,1,0.506,2,879,426.44,2.418,5,0.436,0.64,1.0,0.5016619834144336,0.38160509903365086,0.3993043657048866,0.26924988006305256,0.3879553320540059
EOS-3-24245,O=C(c1ccc(-c2nnc3cncc(OCc4ccc5cc(F)ccc5n4)n23)cc1)N1CC(F)C1,YYVOLOQMONITOG-UHFFFAOYSA-N,3,1,0.481,1,92,472.455,3.852,6,0.386,0.78,1.0,0.6343036803509012,0.5310122678363375,0.4130628469604551,0.5144524021657186,0.523207799328353
EOS-3-24246,CCc1nc(-c2nnc3cncc(COc4cccnc4C)n23)ccc1-c1cccnc1,FNHRITNPMUESEP-UHFFFAOYSA-N,3,1,0.333,14,920,423.48,4.093,5,0.406,0.75,1.0,0.26361284353368514,0.1267305188129669,0.2586697279144678,0.184908505242958,0.20848039887601943
EOS-3-24247,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cccnn1,REBAIODJRUCDKS-UHFFFAOYSA-N,3,1,0.575,72,386,447.861,4.057,5,0.362,0.73,1.0,0.9551864162840107,0.9563172503598109,0.7588067987115346,0.7808751970392708,0.8627964155986567
EOS-3-24248,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)cc1F,PNIJWDUJANSDLJ-UHFFFAOYSA-N,3,1,0.27,76,543,466.415,3.441,6,0.385,0.65,0.975,0.2448598451099993,0.3040144609690905,0.3772102666027003,0.4760725789870468,0.35053928791720923
EOS-3-24249,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnc(C)cn5)n34)ncn2)c1,HEDVKJFJNFXTOT-UHFFFAOYSA-N,3,1,0.371,31,296,425.456,2.672,5,0.405,0.65,0.95,0.4089592899732712,0.16373106709615518,0.1147796586937153,0.08127441573572751,0.1921861078747173
EOS-3-24250,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccn1,RASQQXJFBUALED-UHFFFAOYSA-N,3,1,0.62,16,32,417.86,3.819,5,0.432,0.73,1.0,0.8939243369200192,0.8421629771777123,0.6468970598314029,0.6455777534096361,0.7571405318346927
EOS-3-24251,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3nc(-c4ccnc(Cl)c4)n[nH]3)n12,XTJVURVYFQJPFZ-UHFFFAOYSA-N,3,1,0.358,22,575,427.23,4.084,5,0.436,0.72,0.895,0.35509046672606404,0.5833990130902611,0.7221146597217463,0.8629891714070317,0.6308983277362759
EOS-3-24252,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,IVCQHEJAURFRGC-UHFFFAOYSA-N,3,1,0.489,16,931,432.875,3.697,5,0.403,0.68,1.0,0.35754917414844767,0.3955434857103694,0.29538756767870605,0.3400212459735453,0.3471253683777671
EOS-3-24254,Cc1nc(-c2ccc(C#N)cn2)cc(-c2nnc3cncc(Oc4c(F)cccc4Cl)n23)n1,GELODPGARKISCE-UHFFFAOYSA-N,3,1,0.358,44,971,458.844,4.408,5,0.389,0.74,1.0,0.712836680145295,0.7086645877595779,0.7167003632376122,0.7431807278459325,0.7203455897471044
EOS-3-24255,Cc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)n1,CQABYZBOXKWWNS-UHFFFAOYSA-N,3,1,0.523,1,92,428.883,4.789,5,0.4,0.78,1.0,0.5977229113837297,0.6355801521485848,0.6852854499348914,0.6742255499965732,0.6482035158659447
EOS-3-24256,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)c(C)c5)c4)n23)n(C)n1,AEYNESDJLPVUDD-UHFFFAOYSA-N,3,1,0.462,4,677,429.459,3.922,5,0.421,0.71,1.0,0.42036186690425603,0.4007007744500034,0.55003084092934,0.4576879583304777,0.45719536015351925
EOS-3-24257,Cc1ncccc1-c1cnc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)nc1,IENHQQWXXCHKDW-UHFFFAOYSA-N,3,1,0.434,65,265,446.421,3.246,5,0.392,0.62,1.0,0.7924062778425056,0.5884963333561785,0.49497978205743265,0.46070351586594477,0.5841464772805154
EOS-3-24258,Fc1cc(-c2nnc3cncc(OCc4cc(-c5nccnn5)ccn4)n23)ccc1Cl,WGJJVTVGCOCONN-UHFFFAOYSA-N,3,1,0.573,4,391,434.822,3.41,5,0.414,0.61,1.0,0.7784678911657871,0.9196336782948393,0.6409344801590021,0.677249674456857,0.7540714310191214
EOS-3-24259,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cn1,XNKDAJSOXSRHES-UHFFFAOYSA-N,3,1,0.321,30,945,447.437,3.906,6,0.375,0.67,0.217,0.27661743540538686,0.32407819888972655,0.4317644438352409,0.5107943252690015,0.38581360084983896
EOS-3-24260,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)n5C)cc(Cl)n4)n23)cn1,KCJGLNMYSGLRMR-UHFFFAOYSA-N,3,1,0.489,36,677,447.89,3.226,5,0.378,0.72,1.0,0.4156586251799054,0.489968131039682,0.1288636830923172,0.1270474950311836,0.290384483585772
EOS-3-24261,COC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccns5)ccn4)n23)cn1,BTZHADAZXQJRBU-UHFFFAOYSA-N,3,1,0.506,4,205,445.464,3.07,5,0.363,0.7,1.0,0.3642056747309986,0.3090432458364745,0.17201528339387293,0.09020971831951202,0.23386848057021453
EOS-3-24262,Cc1cc(C)c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cn5)n34)nc2)nn1,SIYMSZJUECAJPB-UHFFFAOYSA-N,3,1,0.252,99,813,462.481,2.513,6,0.384,0.64,0.68,0.05631896374477417,0.048343156740456444,0.042826057158522376,0.03336817216092112,0.045214087451168526
EOS-3-24263,Fc1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cnc1-c1nnco1,VCQPDVACTNBXFB-UHFFFAOYSA-N,3,1,0.511,27,69,458.335,3.368,5,0.365,0.72,1.0,0.8141234322527585,0.7544719347543006,0.8770303611815503,0.7509680625042835,0.7991484476732232
EOS-3-24264,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)n[nH]4)n23)cn1,UXLSSPVYPBBKMR-UHFFFAOYSA-N,3,1,0.394,7,963,419.836,2.907,5,0.432,0.71,1.0,0.36421424165581523,0.3718987732163663,0.28455897471043795,0.2810294016859708,0.3254253478171476
EOS-3-24265,CCn1cncc1-c1cncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,WEFLDLUEXITTCX-UHFFFAOYSA-N,3,1,0.485,89,656,480.532,3.541,6,0.361,0.86,1.0,0.37107634843396614,0.07452367898019327,0.18815536974847508,0.15790555822082106,0.19791523884586387
EOS-3-24266,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nc(C)nn6C)c5)n34)nc2)cc1,RAHFAVRISPTTIR-UHFFFAOYSA-N,3,1,0.273,42,179,459.517,4.328,6,0.387,0.74,0.81,0.0579895140840244,0.016242889452402164,0.2845675416352546,0.28407922692070453,0.1607197930230964
EOS-3-24267,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)n1,KFVBAQGGJSUCLN-UHFFFAOYSA-N,3,1,0.448,87,838,446.862,2.412,5,0.383,0.63,1.0,0.547709204304023,0.616904256048249,0.08189123432252758,0.10865430744979782,0.33878975053114935
EOS-3-24268,OCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ncn2)cn1,BTAQZWBMZAUHFW-UHFFFAOYSA-N,3,1,0.4,18,113,445.418,1.686,5,0.394,0.66,0.988,0.5349359194023713,0.4007093413748201,0.1559780001370708,0.14496950174765266,0.3091481906654787
EOS-3-24269,c1csc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,STJLSNOCZGAMML-UHFFFAOYSA-N,3,1,0.404,6,584,453.491,3.674,6,0.406,0.68,1.0,0.48164108011788087,0.49950311836063327,0.20181104790624357,0.187538551161675,0.34262344938660816
EOS-3-24270,Fc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4ncccc4F)c3)n12,WOPXOPGETGGHFK-UHFFFAOYSA-N,3,1,0.517,2,904,431.406,3.543,5,0.406,0.66,1.0,0.7812607086560208,0.7500599684737167,0.7140531834692618,0.7113888698512781,0.7391906826125694
EOS-3-24271,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(OC(F)F)c5)cn4)n23)cn1,PHGJVDPUTVXMDA-UHFFFAOYSA-N,3,1,0.517,27,988,461.432,4.132,5,0.357,0.77,1.0,0.8246778836268933,0.8009389349599068,0.7776797340826537,0.6833064903022411,0.7716507607429237
EOS-3-24272,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3cnc4cc(F)c(F)cc4n3)n12,LFNDBTUCYSFLKD-UHFFFAOYSA-N,3,1,0.348,22,314,471.431,3.484,6,0.385,0.73,1.0,0.33658590912206154,0.3908745116852855,0.5500394078541567,0.5274741278870536,0.4512434891371393
EOS-3-24273,COc1nc(-c2ccc(C)nn2)ccc1-c1nnc2cncc(-c3cccc(F)c3)n12,HIFOGINWORJATO-UHFFFAOYSA-N,3,1,0.349,96,140,413.416,3.766,5,0.443,0.81,1.0,0.46446439586046195,0.5403073812624221,0.42062744157357274,0.39750531149338636,0.4557261325474608
EOS-3-24274,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)on1,SYCIEYNXOYARLL-UHFFFAOYSA-N,3,1,0.318,70,179,439.414,3.443,6,0.411,0.64,1.0,0.12934343088205058,0.22235453361661298,0.3026694537728737,0.40056370365293675,0.2637327804811185
EOS-3-24275,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cn1,KWFOFMWKYDPHNK-UHFFFAOYSA-N,3,1,0.307,42,369,439.414,3.443,6,0.411,0.64,0.999,0.27162291823726953,0.2681790144609691,0.40982454937975465,0.4005722705777534,0.33754968816393666
EOS-3-24276,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)[nH]1,XKXHOWRGLDLXSU-UHFFFAOYSA-N,3,1,0.27,70,968,421.428,2.732,6,0.443,0.67,0.998,0.12628503872250016,0.11029059008978137,0.18816393667329176,0.16298574463710505,0.1469313275306696
EOS-3-24277,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)c(C)n4)n23)n1,FSNNANIGXRTKJA-UHFFFAOYSA-N,3,1,0.432,31,690,425.456,2.672,5,0.405,0.66,0.979,0.4363648824617915,0.30905181276129123,0.0732386402576931,0.049208416146939896,0.21696593790692895
EOS-3-24278,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)c2)cc1,FNKGUQPAITZGGB-UHFFFAOYSA-N,3,1,0.524,11,503,446.873,4.662,5,0.377,0.76,1.0,0.8732609142622164,0.8669299568226989,0.8335874854362278,0.8754026454663834,0.8622952504968816
EOS-3-24279,Cn1nc(-c2ccc(F)cc2Cl)nc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,AMKZHIFKCOXTRZ-UHFFFAOYSA-N,3,1,0.378,22,243,456.819,4.379,5,0.399,0.71,0.642,0.19006579398259202,0.4995116852854499,0.7499657323007334,0.812101637996025,0.5629112123912001
EOS-3-24280,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)c1,SXBKAIJDKCWQNI-UHFFFAOYSA-N,3,1,0.662,59,577,450.836,4.759,5,0.384,0.77,1.0,0.9589215955040779,0.9269926667123569,0.9444263587142759,0.9495236789801933,0.944966074977726
EOS-3-24281,Cc1ncnc(-c2ncc(Cl)cn2)c1-c1nnc2cncc(-c3cnn(-c4ccncn4)c3)n12,DYLLLEYTITUZLP-UHFFFAOYSA-N,3,1,0.281,86,249,468.872,2.643,6,0.379,0.67,0.948,0.008626893290384484,0.08817935713796175,0.06671064354739223,0.10643547392228085,0.06748809197450482
EOS-3-24282,Fc1cc(-c2nc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2F)cnc1F,KMJRWCJCSGOLAB-UHFFFAOYSA-N,3,1,0.392,18,324,450.384,3.077,5,0.364,0.69,0.767,0.6976560893701597,0.718019669659379,0.5796038653964772,0.5889332465218285,0.6460532177369611
EOS-3-24283,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)cn4)n23)cc1,VUCZUPJRFDFHJF-UHFFFAOYSA-N,3,1,0.516,7,408,454.454,1.714,5,0.373,0.64,1.0,0.40896785689808784,0.17169830717565623,0.07324720718250977,0.02557227057775341,0.1698714104585018
EOS-3-24284,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cn1,WSHAVAQONDCSCE-UHFFFAOYSA-N,3,1,0.287,99,312,439.418,2.369,6,0.384,0.64,1.0,0.01544616544445206,0.14441265163456926,0.24798677266808306,0.2573161537934343,0.16629043588513467
EOS-3-24285,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnnc5)cn4)n23)cc1,LZGHYVLIWFFMFX-UHFFFAOYSA-N,3,1,0.437,56,197,463.465,2.413,6,0.362,0.64,1.0,0.40243129326297034,0.19332122541292576,0.16551298745802207,0.12705606195600028,0.22208039202247962
EOS-3-24286,Cc1ncccc1COc1cncc2nnc(-c3ccc(F)c(-c4cncn4C)c3)n12,JMFBNUXKAOUNKG-UHFFFAOYSA-N,3,1,0.517,26,911,415.432,3.613,5,0.436,0.78,1.0,0.7343053937358646,0.5885049002809951,0.6524312932629703,0.5507504626139401,0.6314980124734426
EOS-3-24287,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4)n23)c(F)c1,YJXYKCNPVVKLDQ-UHFFFAOYSA-N,3,1,0.483,16,772,419.395,3.444,5,0.434,0.7,1.0,0.8063617983688575,0.602254814611747,0.8095229936262079,0.7663713933246522,0.7461277499828661
EOS-3-24288,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cncnn5)c4)n23)cn1,KTUNLOVBESWYIS-UHFFFAOYSA-N,3,1,0.452,92,226,427.388,0.506,5,0.4,0.64,0.999,0.46185148379137825,0.16373963402097183,0.04605578781440614,0.027465560962236995,0.1747781166472483
EOS-3-24289,Cc1nccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)ccn2)n1,QWTQUGUICDSDRK-UHFFFAOYSA-N,3,1,0.722,75,583,427.443,3.712,5,0.408,0.67,1.0,0.832088273593311,0.7180282365841958,0.5230707285312864,0.47608114591186346,0.6373170961551642
EOS-3-24290,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)nc1,WLWXLQRCIPDKIK-UHFFFAOYSA-N,3,1,0.29,10,871,438.43,2.974,6,0.417,0.59,0.701,0.008635460215201151,0.129925981769584,0.28457610856007126,0.3272222602974436,0.187589952710575
EOS-3-24291,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cn5)n34)cn2)cn1,WZEQVQIFWHWSPB-UHFFFAOYSA-N,3,1,0.304,86,790,418.424,3.095,6,0.463,0.68,0.971,0.07101123980535946,0.10049859502433006,0.28085806318963746,0.27505825508875337,0.18185653827702009
EOS-3-24292,N#Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cc1,SPYVEIIROHEZBG-UHFFFAOYSA-N,3,1,0.538,57,528,424.851,5.171,5,0.395,0.88,1.0,0.9003580974573367,0.9642073881159618,0.9245082585155233,0.9351055445137414,0.9310448221506408
EOS-3-24293,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cnc6ccccc6n5)cc4F)n23)cn1,OXIIPDOLRWRATP-UHFFFAOYSA-N,3,1,0.462,40,891,464.464,4.218,6,0.374,0.76,1.0,0.7434120348159825,0.7225687067370297,0.5021588650538003,0.485299157014598,0.6133596909053526
EOS-3-24294,Cc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)ncn1,IPZCINFNPFMBGG-UHFFFAOYSA-N,3,1,0.369,33,53,479.504,2.818,6,0.374,0.76,1.0,0.24229833458981564,0.09427044068261257,0.08458124871496128,0.07200500308409294,0.12328875676787063
EOS-3-24295,Cn1nncc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)c(CF)c4)n23)c1,AXGHUKBOIWWZDD-UHFFFAOYSA-N,3,1,0.511,16,256,450.865,3.684,5,0.389,0.65,1.0,0.5635494482900418,0.659841683229388,0.6662411760674388,0.6512147899390035,0.635211774381468
EOS-3-24296,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)c(F)c2)ncn1,GBTFBCCRBPZATF-UHFFFAOYSA-N,3,1,0.562,11,684,433.472,3.774,5,0.402,0.71,1.0,0.7953704338290727,0.8051709958193407,0.3356863820163114,0.31781577684874235,0.5635108971283668
EOS-3-24297,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)n(C)n1,PVZONRGRELZFAO-UHFFFAOYSA-N,3,1,0.547,37,161,448.437,3.19,5,0.394,0.65,1.0,0.6004129257761633,0.6355887190734014,0.4098331163045713,0.4067747241450209,0.5131523713247892
EOS-3-24298,COc1nc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1ncccc1F,IANVRIMUJLEGTJ-UHFFFAOYSA-N,3,1,0.432,49,501,444.43,2.808,5,0.374,0.65,0.999,0.7434206017407992,0.5358183126584881,0.25165341648961687,0.20463813309574394,0.433882615996162
EOS-3-24299,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(CO)cn5)n34)c2)n1,ZNKVCEYIVUDJKU-UHFFFAOYSA-N,3,1,0.467,36,258,415.417,1.448,5,0.438,0.75,1.0,0.38958090603796863,0.1978102940168597,0.1467428551847029,0.11582482352134878,0.21248971969022
EOS-3-24300,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cn5)n34)nc2)c1,WIAZJPXEJOANKD-UHFFFAOYSA-N,3,1,0.329,32,572,448.465,4.455,6,0.396,0.73,0.933,0.19007436090740867,0.33320197381947775,0.6825954355424577,0.6887978891097252,0.47366741484476726
EOS-3-24301,Clc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,DGJFCGXZZHMSTB-UHFFFAOYSA-N,3,1,0.457,11,503,464.316,4.572,5,0.364,0.77,1.0,0.5949986292920293,0.6793999725858406,0.579612432321294,0.7218233842779795,0.6439586046192858
EOS-3-24302,Cc1cccc(-c2cc(F)nc(-c3nnc4cncc(COc5cc(Cl)cnn5)n34)c2)n1,KVVKAZPTAVUDRX-UHFFFAOYSA-N,3,1,0.308,85,920,448.849,3.718,5,0.375,0.68,1.0,0.42509080940305666,0.4995202522102666,0.4639760811459119,0.4821636625316976,0.4676877013227332
EOS-3-24303,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cn4c(C(F)F)nc5cccc(F)c54)n23)cn1,YYMHPBROFWDGIO-UHFFFAOYSA-N,3,1,0.364,66,9,478.438,3.553,6,0.4,0.76,1.0,0.3239839627167432,0.34809985607566307,0.19143650195325887,0.29907134534987323,0.2906479165238846
EOS-3-24304,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)s5)n34)c(F)c2)cn1,AZZOMRVAILECPK-UHFFFAOYSA-N,3,1,0.512,4,554,424.436,4.111,5,0.425,0.72,1.0,0.6035655541086972,0.6696336782948393,0.8032862723596738,0.7638355835789186,0.7100802720855321
EOS-3-24305,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ccon5)cn4)n23)ccc1Cl,PXGZWDQFBCKMKS-UHFFFAOYSA-N,3,1,0.531,73,756,423.795,3.608,5,0.422,0.72,1.0,0.8273079295456103,0.8754626139401,0.6344835857720512,0.6683829072716058,0.7514092591323418
EOS-3-24306,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccnnc5)nn4)n23)ccc1Cl,GYVUDJJZORLNJY-UHFFFAOYSA-N,3,1,0.489,72,534,446.858,3.279,5,0.387,0.65,1.0,0.6402748269481187,0.8386248372284285,0.5165512987458022,0.4607120827907614,0.6140407614282777
EOS-3-24307,COc1ncncc1COc1cncc2nnc(-c3cccc(-c4cnc(C)nn4)c3)n12,DKKHFMXRAUQYCP-UHFFFAOYSA-N,3,1,0.432,16,506,427.428,2.329,5,0.398,0.65,1.0,0.42037043382907274,0.18889212528270852,0.13164793365773422,0.07201357000890961,0.20323101569460628
EOS-3-24308,Cn1cnc(-c2c(F)ccnc2C#N)c1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,QAWFMVNFEVTZGM-UHFFFAOYSA-N,3,1,0.348,50,243,447.384,3.597,5,0.414,0.65,0.02,0.23397128366801453,0.40524981152765405,0.7375094236172983,0.7140017819203619,0.5226830751833322
EOS-3-24309,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cc(=N)[nH]cn5)c(F)c4)n23)n1,AZCZAYBQAGHAOT-UHFFFAOYSA-N,3,1,0.5,4,92,434.46,3.144,5,0.439,0.69,1.0,0.5219655952299362,0.4811527654033308,0.33937872661229523,0.2840877938455212,0.40664622027277086
EOS-3-24310,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)nc1Cl,MCDJEXVIYZBMRQ-UHFFFAOYSA-N,3,1,0.46,73,300,434.822,3.41,5,0.387,0.68,1.0,0.7671338496333356,0.7412017682132822,0.4245510931396066,0.4607206497155781,0.5984018401754506
EOS-3-24311,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(-c2cccnc2)n1,BUABYQTVJUGPLZ-UHFFFAOYSA-N,3,1,0.316,69,57,442.486,4.681,6,0.391,0.72,1.0,0.1592762661914879,0.11956000274141594,0.47433349324926327,0.4732369268727298,0.30660167226372426
EOS-3-24312,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)nn1,JKTFROVYDIKRIY-UHFFFAOYSA-N,3,1,0.578,19,785,444.886,3.622,5,0.391,0.63,1.0,0.70056027688301,0.6939380439997258,0.39931293262970324,0.4417963127955589,0.5589018915769995
EOS-3-24313,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)CC1,ZVYKJQKHMSNNAG-UHFFFAOYSA-N,3,1,0.337,62,366,446.514,4.803,6,0.419,0.76,1.0,0.1701391268590227,0.09112637927489549,0.29184942772942224,0.39448975395791924,0.2369011719553149
EOS-3-24315,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)nc4)n23)nc1,KSVINYLIHBQMKX-UHFFFAOYSA-N,3,1,0.258,70,652,438.48,3.167,6,0.412,0.64,1.0,0.03485025015420465,0.05191556438900692,0.14091734630936878,0.14739394147076965,0.0937692755808375
EOS-3-24316,Cc1noc(-c2ccc(-c3nnc4cncc(Cc5cc(-c6cncnc6)ncn5)n34)cn2)n1,NLYZTIUZSKTZLI-UHFFFAOYSA-N,3,1,0.305,94,165,449.438,2.383,6,0.382,0.63,1.0,0.12629360564731684,0.13698512781851827,0.0753375368377767,0.06321533822219176,0.1004579021314509
EOS-3-24317,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cc2)cn1,NLLGXPZREPEPQF-UHFFFAOYSA-N,3,1,0.343,9,867,418.42,3.965,6,0.423,0.77,1.0,0.1983414433554931,0.14442121855938592,0.5700346103762594,0.5638407237338086,0.36915949900623674
EOS-3-24318,Cc1nn(C)cc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)cn1,IJWIHIAEYUOAEK-UHFFFAOYSA-N,3,1,0.62,16,772,449.877,4.267,5,0.398,0.7,1.0,0.7128452470701118,0.8204886573915428,0.7089301624288945,0.7000805290932767,0.7355861489959564
EOS-3-24319,Cc1cc(Br)ccc1-c1nnc2cncc(-c3cccc(-c4cccnn4)n3)n12,PVTDMPDNJXEMLY-UHFFFAOYSA-N,3,1,0.338,76,140,444.296,4.381,5,0.411,0.67,1.0,0.21467000205606196,0.3481084230004797,0.49170721677746554,0.5274826948118704,0.3954920841614694
EOS-3-24320,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)cc1,XVZGOEGPVLVBEG-UHFFFAOYSA-N,3,1,0.313,32,543,453.466,3.968,6,0.395,0.67,0.999,0.1427506682201357,0.28875676787060517,0.2808666301144541,0.39156843259543556,0.27598562470015764
EOS-3-24322,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccnc(F)n5)nn4)n23)cn1,DVIDLYTUBWVLBO-UHFFFAOYSA-N,3,1,0.323,50,974,417.368,0.723,5,0.419,0.7,0.712,0.008644027140017819,0.08818792406277842,0.039896168871221986,0.025580837502570078,0.04057723939414708
EOS-3-24323,CCOc1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)cc(F)c5)nn4)n23)cn1,KIGWCVRZYDLQRS-UHFFFAOYSA-N,3,1,0.317,22,997,420.383,3.111,5,0.431,0.72,0.999,0.13736207251045165,0.3040230278939072,0.5467325748749229,0.5375145637721883,0.3814080597628675
EOS-3-24324,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)n(C)n1,JUZVKPVTXDDCIL-UHFFFAOYSA-N,3,1,0.361,85,60,434.414,2.609,5,0.415,0.62,0.847,0.19279864299910904,0.21203138921252826,0.13791892262353506,0.12908642313755053,0.16795884449318071
EOS-3-24325,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(Cl)nn5)n4)n23)c(F)c1,DSCCIQVICPIIJH-UHFFFAOYSA-N,3,1,0.506,73,212,453.8,2.944,5,0.396,0.63,1.0,0.7641182920978685,0.8783239668288672,0.4949883489822493,0.579869440065794,0.6793250119936947
EOS-3-24326,Cc1cnc(-c2nnc3cncc(-c4c(F)cc(-c5cncn5C)cc4Cl)n23)cn1,PNCAQJROLNNWAS-UHFFFAOYSA-N,3,1,0.301,50,844,420.839,3.75,5,0.442,0.68,1.0,0.16210335138098828,0.2990285107257899,0.6314508943869509,0.6539733397299705,0.4366390240559249
EOS-3-24327,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)nc4)n23)n1,CYDBPGOBSOTPJX-UHFFFAOYSA-N,3,1,0.317,76,387,451.429,2.64,6,0.372,0.62,0.913,0.1512404907134535,0.22236310054142966,0.14092591323418546,0.19031423480227538,0.176210934822836
EOS-3-24328,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4ncccn4)cn3)n12,OQWIWLIFVZHECS-UHFFFAOYSA-N,3,1,0.588,4,539,433.834,4.015,5,0.413,0.68,1.0,0.82468645055171,0.9406312110204921,0.6935182646837091,0.7245390994448633,0.7958437564251937
EOS-3-24329,Cn1cc(Cl)nc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,WXDAGKQUTZQVDB-UHFFFAOYSA-N,3,1,0.514,13,412,438.278,4.686,5,0.405,0.78,1.0,0.7253700911520801,0.8386334041532452,0.6611695565759715,0.7271862792132137,0.7380898327736276
EOS-3-24330,Cn1c(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)ccnc1=O,DXAFEZCVEOEKSU-UHFFFAOYSA-N,3,1,0.452,87,349,431.481,2.63,5,0.407,0.66,1.0,0.3505242957987801,0.13699369474333492,0.1437872661229525,0.14497806867246932,0.1940708313343842
EOS-3-24331,Cc1cnc(-c2csc(-c3cncc4nnc(-c5ccc(C(=O)NCCF)cn5)n34)c2)nn1,BVRCMDHNLOVHFN-UHFFFAOYSA-N,3,1,0.315,33,432,461.486,2.775,5,0.409,0.61,0.993,0.08125728188609417,0.1037625933794805,0.051273045027756835,0.03640943047083819,0.06817558769104243
EOS-3-24332,Cc1cnc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)c(C)c5)n34)c2)cn1,AFVFTUSAGJEWBE-UHFFFAOYSA-N,3,1,0.424,14,18,442.91,5.098,5,0.377,0.85,1.0,0.5092522788020012,0.5220598314029196,0.7662942910013022,0.7245476663696799,0.6305385168939757
EOS-3-24333,Clc1ccc(-c2nnc3cncc(OCc4nccnc4-c4cccnc4)n23)cc1,LZDLSRJBSGZCMD-UHFFFAOYSA-N,3,1,0.561,97,539,415.844,3.876,5,0.43,0.8,1.0,0.8296295661709273,0.9251936125008567,0.5021674319786169,0.5798780069906107,0.7092171544102529
EOS-3-24334,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)ncn2)c1,UBEXCMZNBPTCTF-UHFFFAOYSA-N,3,1,0.568,44,130,427.443,3.712,5,0.408,0.68,1.0,0.6888492906586252,0.5682526900143924,0.5734185456788431,0.544410938249606,0.5937328661503667
EOS-3-24335,Cc1cnc(CCOc2cncc3nnc(-c4cccc(-c5ccncc5F)c4)n23)cn1,DNKOHBKJJXCCBI-UHFFFAOYSA-N,3,1,0.495,15,846,427.443,3.712,5,0.408,0.68,1.0,0.769781029401686,0.6892519361250086,0.5197124940031527,0.49118463436364884,0.6174825234733741
EOS-3-24336,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,HUYDQTFBZRODLC-UHFFFAOYSA-N,3,1,0.542,59,630,436.397,4.188,5,0.387,0.72,1.0,0.7401908710849153,0.6794085395106573,0.9262216434788568,0.8975481461174697,0.8108423000479748
EOS-3-24337,Cc1ncc(-c2n[nH]c(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)n2)cn1,HEUHKUCXBNMYBK-UHFFFAOYSA-N,3,1,0.404,7,185,425.865,2.969,5,0.456,0.65,1.0,0.4479987663628264,0.45020046604071,0.08458981563977795,0.11101877869919814,0.2734519566856281
EOS-3-24338,Cc1ncc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6cncn6C)nc5)n34)n2)s1,ILOUEDUHOTXJIY-UHFFFAOYSA-N,3,1,0.292,86,812,452.507,3.476,6,0.4,0.63,1.0,0.07481495442395998,0.09427900760742924,0.09875094236172983,0.08470118566239462,0.08813652251387841
EOS-3-24340,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cn2)n1,TXTGCNLNORTZAY-UHFFFAOYSA-N,3,1,0.286,10,37,436.414,3.03,6,0.388,0.63,1.0,0.019978068672469332,0.11332328147488177,0.33938729353711194,0.3819734768007676,0.21366553012130768
EOS-3-24342,CC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cn1,NLLNZUZWSZQILN-UHFFFAOYSA-N,3,1,0.296,52,376,462.517,3.935,6,0.399,0.67,0.166,0.027628332533753682,0.010425947501884723,0.016080117880885477,0.0602511822356247,0.028596395038037146
EOS-3-24343,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cn2)n1C,FLJWBAUPTVOGMZ-UHFFFAOYSA-N,3,1,0.289,99,968,450.47,2.148,6,0.396,0.6,1.0,0.20382427523816052,0.09113494619971216,0.039904735796038655,0.03337673908573778,0.09206017407991228
EOS-3-24344,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnc(C)s5)n34)ccc2F)cn1,FFQKBLUIBXOXCB-UHFFFAOYSA-N,3,1,0.553,26,426,447.499,4.082,5,0.387,0.75,1.0,0.7128538139949284,0.7586697279144679,0.317490233705709,0.2840963607703379,0.5182775340963608
EOS-3-24345,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)nn4)n23)c(Cl)c1,PVCKXTPGFXOSIL-UHFFFAOYSA-N,3,1,0.306,99,765,471.876,1.888,6,0.373,0.68,1.0,0.14835343705023646,0.3141319991775752,0.03575834418477143,0.07956959769721061,0.14445334452744843
EOS-3-24347,Cc1cnc(-c2cc(-c3nnc4cncc(OCCCc5cccnc5)n34)ccn2)cn1,JSKLCNRGSLBXKY-UHFFFAOYSA-N,3,1,0.478,75,530,424.468,3.358,5,0.366,0.74,1.0,0.6520800493454869,0.3623209512713316,0.17845761085600712,0.14983551504351997,0.3356735316290864
EOS-3-24348,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5cncc(F)c5)n34)cc2F)s1,RLXPHRUHCVEFKV-UHFFFAOYSA-N,3,1,0.455,13,374,423.408,4.084,5,0.43,0.76,1.0,0.7552001233637173,0.7457422383661161,0.5432458364745391,0.567053320540059,0.6528103796861079
EOS-3-24349,Fc1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)c(-c2cncnc2)c1,CJHNHEWEPSAJEP-UHFFFAOYSA-N,3,1,0.366,94,757,447.437,3.906,6,0.4,0.65,0.995,0.34352511822356246,0.45909293400041123,0.47106092796929616,0.5444195051744226,0.45452462134192306
EOS-3-24350,COc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)cn1,FWMUCASPZBXQMR-UHFFFAOYSA-N,3,1,0.252,94,165,449.438,2.295,6,0.386,0.61,0.982,0.06685628126927558,0.07789048043314371,0.14379583304776916,0.10866287437461448,0.09930136728120073
EOS-3-24351,Cc1cnc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(F)c5)n4)n23)cn1,LMFIMHQOIBHCAY-UHFFFAOYSA-N,3,1,0.441,46,128,432.394,3.204,5,0.39,0.68,0.999,0.5425690494140224,0.5266688369542869,0.494996915907066,0.4638047426495785,0.5070098862312384
EOS-3-24352,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)cc1,STLTWSOBBVPKMD-UHFFFAOYSA-N,3,1,0.518,36,79,436.838,3.353,5,0.417,0.63,1.0,0.5219741621547529,0.5592831197313413,0.6376276471797684,0.6455863203344527,0.5911178123500789
EOS-3-24353,Cn1c(F)cnc1-c1cncc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1,ATVILCHWQQRPPJ-UHFFFAOYSA-N,3,1,0.536,2,131,436.838,3.353,5,0.417,0.63,1.0,0.4816496470426975,0.5448478514152559,0.5165598656706188,0.5444280720992393,0.5218713590569529
EOS-3-24354,Fc1ccc(-c2nnc3cncc(OCCc4cc(Cl)cc(C(F)(F)F)c4)n23)cc1,VKDYIRLFIMIWGG-UHFFFAOYSA-N,3,1,0.794,48,64,436.796,5.224,4,0.402,0.8,1.0,0.9985950243300665,0.9984922212322664,0.9978668357206497,0.9979782057432663,0.9982330717565623
EOS-3-24355,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cc5F)n34)nn2)c1,BMIQWEUGZHIVED-UHFFFAOYSA-N,3,1,0.462,19,691,465.851,4.196,5,0.371,0.73,0.995,0.8320968405181276,0.8204972243163594,0.677326776780207,0.7759577821945035,0.7764696559522993
EOS-3-24356,COc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)cn1,GPTUMPZIFCTCCI-UHFFFAOYSA-N,3,1,0.511,75,441,446.858,3.279,5,0.362,0.7,1.0,0.5373346583510383,0.49482557741073263,0.35074703584401346,0.28410492769515455,0.41675304982523476
EOS-3-24357,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)cnn4)n23)c1,KLKRLMWCWVCXIX-UHFFFAOYSA-N,3,1,0.433,87,87,448.849,3.452,5,0.364,0.66,1.0,0.6089284490439312,0.6647333972997053,0.5432544033993557,0.6163045713110822,0.6083052052635185
EOS-3-24358,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)no1,QMNKTHSERUXLCX-UHFFFAOYSA-N,3,1,0.46,92,131,421.808,2.567,5,0.417,0.71,1.0,0.4339147419642245,0.4722174628195463,0.10638407237338085,0.12265266260023303,0.2837922349393462
EOS-3-24359,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccnn5)n4)n23)cc1,UNDOQZPWYMOBDQ-UHFFFAOYSA-N,3,1,0.421,56,614,464.453,1.808,6,0.355,0.66,1.0,0.35971660612706463,0.167551915564389,0.055188129668974024,0.04770920430402303,0.15754146391611268
EOS-3-24360,CCn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3cc(Cl)ccc3F)n12,DYVLUZJJXUCNMD-UHFFFAOYSA-N,3,1,0.358,22,311,438.829,4.063,5,0.393,0.71,1.0,0.15928483311630456,0.4052583784524707,0.3845778219450346,0.6102905900897814,0.38985290590089783
EOS-3-24361,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)c2)s1,CQMHMOCOYXWJLM-UHFFFAOYSA-N,3,1,0.576,37,832,451.462,3.913,5,0.387,0.7,1.0,0.7953790007538893,0.7885168939757384,0.509260845726818,0.5042748954835172,0.6493579089849908
EOS-3-24362,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)cs1,ZXTXIBMMOXMTRG-UHFFFAOYSA-N,3,1,0.554,24,786,435.9,4.246,5,0.407,0.73,1.0,0.4793194434925639,0.6598502501542046,0.3734065519840998,0.3883986704132685,0.4752437290110342
EOS-3-24363,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(Cl)n5)n4)n23)cn1,ONZXNOMPWAMUHR-UHFFFAOYSA-N,3,1,0.304,99,952,456.861,2.278,6,0.366,0.67,0.802,0.05799808100884107,0.14084024398601877,0.0357669111095881,0.07202213693372626,0.07665684325954356
EOS-3-24364,Fc1nc(-c2cnnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cs1,OPIXDKLKNAYTQQ-UHFFFAOYSA-N,3,1,0.374,51,924,441.839,2.866,5,0.405,0.64,1.0,0.49403742032759923,0.46788259886231237,0.184959906791858,0.24829518196148312,0.34879377698581315
EOS-3-24365,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4cncc(Cl)c4)ccn3)n12,ZPVIGXWOJQAVMZ-UHFFFAOYSA-N,3,1,0.441,18,840,447.861,4.057,5,0.387,0.69,1.0,0.7784764580906038,0.7412103351380989,0.7351535192927147,0.7785621273387705,0.758350609965047
EOS-3-24366,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nn2)cc1,URXJKOMNWGKDJM-UHFFFAOYSA-N,3,1,0.359,3,783,450.893,4.754,6,0.385,0.77,1.0,0.018975738468919198,0.1978188609416764,0.7115773421972449,0.8012045096292235,0.432394112809266
EOS-3-24367,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4ncc(C(F)F)cn4)n23)nc1,SUAZLYVHLRVFAP-UHFFFAOYSA-N,3,1,0.244,86,206,422.334,2.572,5,0.43,0.63,0.83,0.2287882941539305,0.3332105407442944,0.27726852169145366,0.3463693372626962,0.2964091734630937
EOS-3-24368,N#Cc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)c1,RVXDNUJSUZABLO-UHFFFAOYSA-N,3,1,0.478,1,676,455.428,4.637,5,0.368,0.8,1.0,0.8371084915358783,0.8386419710780618,0.9327496401891577,0.9094133369885546,0.8794783599479131
EOS-3-24369,COc1ccc(-c2cc(-c3nnc4cncc(COCc5ccccn5)n34)ccc2OC)cn1,YJTVTTBDQXXMHM-UHFFFAOYSA-N,3,1,0.444,14,257,454.49,3.982,5,0.347,0.76,1.0,0.29599581934068947,0.1675604824892057,0.5734271126036597,0.36274073058734835,0.3499310362552258
EOS-3-24370,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(CCc4ccc(Cl)cc4)n23)c1,GKCGDKFNOGJQTC-UHFFFAOYSA-N,3,1,0.381,14,580,429.915,4.334,5,0.415,0.78,1.0,0.1321362483722843,0.2323007333287643,0.5398961688712219,0.5670618874648756,0.3678487595092865
EOS-3-24371,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(CO)cn4)n23)c(Cl)c1,VWPGWQMMASRWGC-UHFFFAOYSA-N,3,1,0.495,4,79,448.874,2.707,5,0.421,0.65,1.0,0.36204680967719827,0.517356589678569,0.5021759989034337,0.470032896991296,0.4629030738126243
EOS-3-24372,OCc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1Cl,AGODXYUNUOPXGC-UHFFFAOYSA-N,3,1,0.541,90,400,416.268,3.607,4,0.484,0.74,1.0,0.8687204441093825,0.9079141251456377,0.797143787266123,0.8422829141251457,0.8540153176615722
EOS-3-24373,CC(C)(N)c1ccc(-c2nnc3cncc(-c4cc(Cl)nc(-c5cncnc5)c4)n23)cc1,IVXASALSUUSRFA-UHFFFAOYSA-N,3,1,0.383,82,478,442.914,4.158,5,0.416,0.68,0.999,0.2477897333972997,0.21698307175656226,0.8431481735316291,0.7327119457199643,0.5101582311013638
EOS-3-24374,Fc1cc(-c2nnc3cncc(OCc4ccc(Cc5cccnc5)cn4)n23)ccc1Cl,NLPIJJCEXWEPCI-UHFFFAOYSA-N,3,1,0.612,59,71,446.873,4.544,5,0.381,0.76,1.0,0.837117058460695,0.9457970666849428,0.8759166609553835,0.8726612295250497,0.8828730039065177
EOS-3-24375,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cccc(-c4ccc(Cl)nc4)c3)n12,PGRQYSPZYNPHIA-UHFFFAOYSA-N,3,1,0.524,15,438,445.914,4.17,5,0.365,0.76,1.0,0.3917140703173189,0.5084641217188678,0.46062641354259476,0.47324549379754643,0.458512524844082
EOS-3-24376,Cc1nc(-c2cc[nH]n2)cc(-c2cncc3nnc(-c4cnc(-c5ccc(F)nc5)cn4)n23)n1,KXKGFPJLJXLPIE-UHFFFAOYSA-N,3,1,0.253,86,72,451.429,2.938,6,0.401,0.63,0.628,0.15676615722020423,0.22237166746624631,0.2228599821807964,0.23667843191008156,0.2096690596943321
EOS-3-24377,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5)ncc4F)n23)nc1,HYLVMIKIADQTPT-UHFFFAOYSA-N,3,1,0.37,33,53,473.472,2.45,5,0.382,0.66,1.0,0.3781954629566171,0.21699163868137894,0.2516619834144336,0.1379360564731684,0.2461962853813995
EOS-3-24378,Fc1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(-c5cnccn5)n4)n23)cn1,LPDSTEQMHRHRSA-UHFFFAOYSA-N,3,1,0.5,55,540,434.822,3.41,5,0.387,0.63,1.0,0.6004214927009801,0.7364471249400315,0.570043177301076,0.6039939003495305,0.6277264238229046
EOS-3-24379,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4Cl)n23)nc1,IZFQJHODXAIMGL-UHFFFAOYSA-N,3,1,0.276,98,219,469.9,3.098,6,0.386,0.67,1.0,0.09764580906037969,0.2170002056061956,0.23018470289904736,0.2959872524158728,0.21020449249537387
EOS-3-24380,FC(F)c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)n5)n4)n23)nc1,NNXGNRNBGYLZKP-UHFFFAOYSA-N,3,1,0.29,50,542,425.79,3.42,5,0.407,0.68,0.107,0.026411829209786856,0.16756904941402234,0.5631382358988417,0.6396922760605853,0.34920284764580906
EOS-3-24381,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nc(C)ncc5C)cn4)n23)cc1,CUGGCMMUNUBGTM-UHFFFAOYSA-N,3,1,0.529,89,731,423.48,4.148,5,0.419,0.72,0.999,0.4457970666849428,0.3240867658145432,0.3693886642450826,0.2544205332054006,0.3484232574874923
EOS-3-24382,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cc5)n34)nn2)n1C,AEWIIYWGTUDWQC-UHFFFAOYSA-N,3,1,0.313,98,63,464.468,3.553,6,0.389,0.67,0.998,0.22879686107874717,0.2887653347954218,0.18817250359810841,0.2602203413062847,0.24148876019464052
EOS-3-24383,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cn5)n34)n2)cc1,BMTITPAFOAUQGC-UHFFFAOYSA-N,3,1,0.346,30,757,464.439,4.651,6,0.375,0.79,1.0,0.31423480227537526,0.5310208347611541,0.6963025152491261,0.7785706942635872,0.5800322116373107
EOS-3-24384,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n(C)n2)n1,GKTYMZQBCORFGL-UHFFFAOYSA-N,3,1,0.529,36,404,440.83,2.087,5,0.408,0.62,1.0,0.4618600507161949,0.7225772736618463,0.14093448015900212,0.21350490028099514,0.3847191762045096
EOS-3-24385,O=C(c1ccc(F)cc1)c1cn(Cc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)nn1,IVCVLCQPWXJXTC-UHFFFAOYSA-N,3,1,0.381,85,81,450.384,3.134,5,0.366,0.69,0.998,0.14529504489068604,0.21700877253101228,0.582807895277911,0.6337553971626345,0.394716777465561
EOS-3-24386,OCc1nc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)cn4)n23)ccc1Cl,CNGYNEQKVFMIMJ-UHFFFAOYSA-N,3,1,0.43,7,242,447.846,2.158,5,0.412,0.64,1.0,0.5920601740799123,0.6400435199780686,0.13473202659173464,0.16299431156192173,0.3824575080529093
EOS-3-24387,N#Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)ccn1,MOTDONZQILXUQQ-UHFFFAOYSA-N,3,1,0.409,46,181,424.399,3.233,5,0.422,0.62,1.0,0.7641268590226852,0.6022633815365637,0.6935268316085258,0.6512233568638202,0.6777851072578988
EOS-3-24388,Fc1cnc(-c2nc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccc2F)nc1,GUAXJZKNAAWUSF-UHFFFAOYSA-N,3,1,0.446,18,263,450.384,3.077,5,0.389,0.63,1.0,0.8486567061887464,0.7586782948392845,0.4985436227811665,0.5507590295387568,0.6641594133369886
EOS-3-24389,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cc2)n(C)n1,OXFRKIJBRKIGMS-UHFFFAOYSA-N,3,1,0.333,98,150,468.912,3.796,6,0.362,0.76,1.0,0.021957028305119593,0.1482077993283531,0.22286854910561305,0.2664741964224522,0.16487689329038446
EOS-3-24390,FC(F)c1cnc(COc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)cn1,ADOCSUVGWBFORF-UHFFFAOYSA-N,3,1,0.53,27,921,432.394,3.555,5,0.401,0.63,1.0,0.537343225275855,0.5636008498389418,0.6080717565622644,0.4942944280720992,0.5508275649372901
EOS-3-24391,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c(-c2ccccn2)n1,IIWKHUQVWDCDAO-UHFFFAOYSA-N,3,1,0.323,32,687,443.474,4.076,6,0.401,0.66,1.0,0.11279213213624838,0.09114351312452881,0.24799533959289974,0.26022890823110134,0.17803997327119456
EOS-3-24392,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)nn2C)cc1F,TVEKFLFFQASOEP-UHFFFAOYSA-N,3,1,0.398,95,694,452.4,3.287,5,0.378,0.69,1.0,0.402439860187787,0.3578575834418477,0.6935353985333425,0.639700842985402,0.5233834212870948
EOS-3-24393,Cc1cc(-c2nnc3cncc(OCc4ncc(Cl)nn4)n23)ccc1-c1cnnn1C,CLQPGWQDVAZMOV-UHFFFAOYSA-N,3,1,0.456,36,404,434.851,2.313,5,0.41,0.64,1.0,0.3597251730518813,0.4412994311561922,0.1012610513330135,0.11583339044616545,0.2545297614968131
EOS-3-24394,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cc2)n1,YDGRRLPYYMOZRT-UHFFFAOYSA-N,3,1,0.304,38,126,442.486,4.681,6,0.391,0.73,1.0,0.12073367144129943,0.11029915701459804,0.40984168322938797,0.3915769995202522,0.2581128778013844
EOS-3-24395,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cncnn6)c5)n34)cn2)nn1,BGSFVSLGYOEWOV-UHFFFAOYSA-N,3,1,0.268,99,286,423.404,1.019,6,0.403,0.66,0.999,0.003855116167500514,0.013467205811801795,0.04764066890548969,0.05041635254609005,0.028844835857720512
EOS-3-24396,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnnc5)c4F)n23)nn1,PHUOQUUFBQYPSW-UHFFFAOYSA-N,3,1,0.418,53,785,432.394,3.204,5,0.417,0.6,1.0,0.6976646562949763,0.6120553766020149,0.6636368309231718,0.6368908916455349,0.6525619388664246
EOS-3-24397,Cc1cccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n1,RHNYRBGKEYAVJW-UHFFFAOYSA-N,3,1,0.495,89,398,477.528,4.028,6,0.377,0.82,1.0,0.3550990336508807,0.1444297854842026,0.24434582962099924,0.2135134672058118,0.23934702899047358
EOS-3-24398,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nc2C)n1,YIZNAOHCBISULG-UHFFFAOYSA-N,3,1,0.432,18,578,442.458,3.416,5,0.369,0.69,1.0,0.7641354259475018,0.6647419642245219,0.26227640326228496,0.20464670002056062,0.47395012336371733
EOS-3-24399,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)c2)o1,ZWARTMCSBSDISX-UHFFFAOYSA-N,3,1,0.506,16,655,436.834,4.521,5,0.4,0.73,1.0,0.8463008018641628,0.7272119799876636,0.7866150366664382,0.7638441505037352,0.7809929922554999
EOS-3-24400,Cc1ncc(-c2nnc3cncc(Oc4ccc(-c5cccc(Cl)n5)cn4)n23)cn1,BYAAMPUWWOSHKA-UHFFFAOYSA-N,3,1,0.361,55,412,416.832,3.792,5,0.407,0.79,1.0,0.5635580152148585,0.607206497155781,0.4098502501542046,0.397513878418203,0.49453216023576174
EOS-3-24401,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)nn1,OBACQZBLXMRTLI-UHFFFAOYSA-N,3,1,0.375,46,564,449.837,3.113,5,0.398,0.6,1.0,0.6459632650263861,0.5358268795833048,0.4606349804674114,0.4700414639161127,0.5281166472483038
EOS-3-24402,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ncn2)cc1,NFMKZHYRXLUYMM-UHFFFAOYSA-N,3,1,0.554,44,130,413.416,3.404,5,0.421,0.84,1.0,0.7578730039065177,0.6892605030498252,0.5796209992461107,0.5859091220615448,0.6531659070659996
EOS-3-24403,c1ccc(-c2nccnc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cc1,MPQMJXGEAQEWHS-UHFFFAOYSA-N,3,1,0.4,93,651,427.471,4.977,6,0.395,0.83,1.0,0.18156740456445755,0.14821636625316975,0.6019721060927969,0.6626859022685216,0.3986104447947365
EOS-3-24404,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)nc5)n34)cn2)cc1,AIGFWRPBPVCPHW-UHFFFAOYSA-N,3,1,0.338,30,93,427.471,4.977,6,0.395,0.83,1.0,0.1052532382975807,0.14084881091083545,0.6051333013501473,0.6308426427249675,0.3705194983208827
EOS-3-24405,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]cn6)nc5)n34)s2)nc1,SWFJHVWBHYLBET-UHFFFAOYSA-N,3,1,0.287,76,902,441.455,3.901,6,0.442,0.64,1.0,0.20650572270577752,0.3090603796861079,0.309857103694058,0.340029812898362,0.2913632547460764
EOS-3-24406,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5ccnc(F)c5F)cn4)n23)nc1,GRQVPZTXRDWKFT-UHFFFAOYSA-N,3,1,0.385,33,53,463.408,1.984,5,0.379,0.68,0.934,0.3167706120211089,0.1717068741004729,0.3655678157768487,0.25124220409841685,0.27632187649921186
EOS-3-24407,FC(F)c1cnc(COc2cncc3nnc(-c4cnc(-c5cnccn5)nc4)n23)cn1,OLPULEOQYBAJFG-UHFFFAOYSA-N,3,1,0.432,7,535,434.37,2.345,5,0.392,0.6,1.0,0.5322030703858543,0.5040864231375506,0.30986567061887466,0.23668699883489822,0.39571054074429446
EOS-3-24408,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccs6)no5)n34)cn2)nc1,HMCCNIZZMWKROK-UHFFFAOYSA-N,3,1,0.478,6,297,454.475,3.939,6,0.369,0.78,1.0,0.3642228085806319,0.45020903296552667,0.10639263929819752,0.11584195737098212,0.2591666095538345
EOS-3-24409,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)on1,VJWTXLISCJMODO-UHFFFAOYSA-N,3,1,0.645,2,884,436.834,4.521,5,0.4,0.79,1.0,0.7641439928723186,0.722585840586663,0.844827290795696,0.8263570008909602,0.7894785312864094
EOS-3-24411,Fc1cccnc1-c1ccnc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)c1,BBMKRNIUKKVZHG-UHFFFAOYSA-N,3,1,0.42,46,980,435.369,3.64,5,0.416,0.62,1.0,0.7128623809197451,0.6355972859982181,0.8155112740730588,0.8203687204441094,0.7460849153587829
EOS-3-24414,COc1cc(-c2nnco2)c(F)cc1-c1nnc2cncc(OCc3cnc(C)cn3)n12,JPSHNJNZAUZYND-UHFFFAOYSA-N,3,1,0.462,92,212,434.391,2.666,5,0.394,0.62,1.0,0.5664879035021588,0.5040949900623672,0.30267802069769034,0.19032280172709204,0.39089592899732706
EOS-3-24416,Cn1cc(-c2cncc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)c2)cn1,NGUSVMSFTVLFKT-UHFFFAOYSA-N,3,1,0.333,42,714,448.465,4.455,6,0.396,0.71,1.0,0.14275923514495237,0.24279521622918238,0.7140617503940785,0.7245562332944966,0.45604310876567744
EOS-3-24417,CCc1nc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1cccnc1,JOQOQBDSNPLIHZ-UHFFFAOYSA-N,3,1,0.426,59,109,444.445,4.668,5,0.379,0.79,0.997,0.6645706257281886,0.6257538893838668,0.7752038928106367,0.7586954286889178,0.7060559591529025
EOS-3-24418,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnn(C)n5)c4)n23)c(F)c1,RMFSLCPGONMKQX-UHFFFAOYSA-N,3,1,0.536,43,258,416.42,3.008,5,0.435,0.74,1.0,0.6286238091974505,0.5885134672058118,0.40651771640052087,0.385006168185868,0.5021652902474127
EOS-3-24419,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cnc(Cl)nc5)c4)n23)c1,HQSJXTWNCSSYDO-UHFFFAOYSA-N,3,1,0.303,39,972,470.859,3.684,6,0.358,0.74,1.0,0.01462374066205195,0.15215715166883695,0.43552532382975806,0.5444366390240559,0.2866857137961757
EOS-3-24420,Cc1cncc(Cl)c1-c1cncc2nnc(-c3cccnc3-c3ncc(F)cn3)n12,WZVRRKZCLSNPKM-UHFFFAOYSA-N,3,1,0.289,50,261,418.823,3.806,5,0.439,0.72,0.918,0.31907511479679257,0.37190734014118293,0.41692653005277225,0.527491261736687,0.40885006168185867
EOS-3-24421,CC(C)(O)c1cnc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)ncc4F)n23)cn1,KQVAHMZBBHMUQH-UHFFFAOYSA-N,3,1,0.271,50,845,447.409,2.606,5,0.442,0.56,0.377,0.33887327804811185,0.38621410458501815,0.5567387430607909,0.40678329106983757,0.42215235419093955
EOS-3-24422,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)c(F)c1,ISMPKJNBKLXRIA-UHFFFAOYSA-N,3,1,0.542,97,521,416.391,4.106,5,0.429,0.79,1.0,0.8574806387499143,0.8051795627441574,0.8929134397916524,0.8824360907408677,0.8595024330066479
EOS-3-24423,N#Cc1cccc(-c2cncc(-c3nnc4cncc(OCc5cnccc5Cl)n34)c2)c1,PYKVRNLSKGNYBH-UHFFFAOYSA-N,3,1,0.451,97,884,439.866,4.352,5,0.401,0.72,1.0,0.772642382290453,0.8244808443561099,0.8881673634432184,0.8989188540881365,0.8460523610444795
EOS-3-24424,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cn4)n23)cn1,ZEAISFBCIIBGIZ-UHFFFAOYSA-N,3,1,0.404,18,88,466.292,3.362,5,0.371,0.68,0.755,0.6459718319512028,0.7133421287094784,0.28833698855458845,0.3788808169419505,0.506632941539305
EOS-3-24425,Cc1nnc(-c2ccnc(-c3nnc4cncc(-c5cnc(-c6nnn(C)n6)cn5)n34)n2)o1,HYZJZWRNGQXRCP-UHFFFAOYSA-N,3,1,0.202,99,286,440.391,0.587,6,0.372,0.63,0.356,0.061536220958124874,0.021605784387636214,0.0023901720238503187,0.0006425193612500857,0.021543674182715373
EOS-3-24426,Fc1ncccc1-c1cc(-c2nnc3cncc(OCCc4ccccc4)n23)nnc1Cl,BGDGMFNZDSNOEI-UHFFFAOYSA-N,3,1,0.576,19,54,447.861,4.057,5,0.362,0.74,0.989,0.8790778562127339,0.8833356178466177,0.6019806730176136,0.6713898978822562,0.7589460112398054
EOS-3-24427,Fc1ncc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,BRGVTAFPEDJVIJ-UHFFFAOYSA-N,3,1,0.516,35,76,447.861,4.057,5,0.362,0.74,1.0,0.9290915632924406,0.9377527242820917,0.685294016859708,0.7054434240285107,0.8143954321156878
EOS-3-24428,COCc1ncc(-c2nnc3cncc(Oc4ccc(-c5nncn5C)c(F)c4)n23)cn1,WINZNAWJQLNBIT-UHFFFAOYSA-N,3,1,0.467,36,908,433.407,2.455,5,0.398,0.62,1.0,0.592068741004729,0.5636094167637585,0.20897299705297787,0.1822441916249743,0.3867238366116099
EOS-3-24430,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5COC5)cc4)n23)cc1,UJNPCRWRQCDMIV-UHFFFAOYSA-N,3,1,0.308,62,269,480.532,3.174,6,0.397,0.78,1.0,0.14836200397505311,0.059634363648824615,0.09389349599067918,0.07957816462202728,0.09536700705914605
EOS-3-24431,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ccn4)n23)c(F)c1,FWNPOMJGXYZCAV-UHFFFAOYSA-N,3,1,0.489,97,744,441.401,3.977,5,0.38,0.73,1.0,0.8037317524501405,0.8986875471180865,0.9197707490919059,0.9036135288876704,0.8814508943869509
EOS-3-24432,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)nc1C,OMEBNULTWXXSMS-UHFFFAOYSA-N,3,1,0.421,46,223,448.437,3.63,5,0.391,0.7,0.998,0.4296912480296073,0.3816136659584676,0.3429597011856624,0.3659790281680488,0.3800609108354465
EOS-3-24433,Cc1nnc(-c2cc(Cl)c(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cn2)o1,GNNNNXZCYYBWIZ-UHFFFAOYSA-N,3,1,0.296,70,887,458.829,3.31,6,0.383,0.65,1.0,0.2065142896305942,0.32409533273935986,0.12887225001713384,0.17383147145500652,0.20832833596052364
EOS-3-24434,Fc1cc(-c2nnc3cncc(-c4nnn(-c5ccccc5F)n4)n23)ccc1-c1ccccc1,QTEDKLSTBZRXRR-UHFFFAOYSA-N,3,1,0.337,93,689,452.428,4.379,6,0.395,0.69,1.0,0.07905558220821055,0.3241038996641765,0.6171012953190322,0.7612312384346515,0.4453730039065177
EOS-3-24435,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)cn1,BULOHPIAIVQGDH-UHFFFAOYSA-N,3,1,0.321,70,392,436.504,4.377,6,0.408,0.69,1.0,0.13468062504283462,0.09115208004934548,0.4393890069220753,0.42916866561579053,0.27359759440751147
EOS-3-24437,c1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccs5)n34)nn2)cc1,NMQWXVCHXDHILL-UHFFFAOYSA-N,3,1,0.262,39,37,423.465,3.558,6,0.427,0.71,0.651,0.0008566924816667809,0.007333287643067644,0.09390206291549585,0.16069837571105475,0.06569760468782126
EOS-3-24438,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)cc1F,YROLRVDSRVFZPK-UHFFFAOYSA-N,3,1,0.306,3,783,453.416,3.774,6,0.401,0.63,1.0,0.061544787882941536,0.30906894661092454,0.6717325748749229,0.7193047083818792,0.44041275443766703
EOS-3-24439,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccs6)c5)n34)nc2)ccn1,FZIJQYKCJCJIJH-UHFFFAOYSA-N,3,1,0.272,70,664,436.504,4.471,6,0.405,0.76,0.998,0.0054913988074840655,0.03464464395860462,0.40286820642862037,0.3850147351106847,0.20700474607634844
EOS-3-24440,Fc1cc(-c2ncc(-c3nnc4cncc(-c5ncnc(-c6nccs6)n5)n34)cn2)ccn1,WATXPUZRLDZSLG-UHFFFAOYSA-N,3,1,0.325,86,136,455.442,2.758,6,0.365,0.66,0.989,0.14276780206976902,0.2942053320540059,0.06888664245082585,0.09406483448701254,0.14998115276540333
EOS-3-24442,N#Cc1nc(-c2ccnnc2)cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)n1,QXDJZQUATFUPJX-UHFFFAOYSA-N,3,1,0.429,18,466,456.857,2.58,5,0.374,0.64,1.0,0.6915907065999589,0.6553012130765541,0.2990456445754232,0.3400383798231787,0.49649398601877875
EOS-3-24443,COCc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C)cn1,CSHUHVXKZWGFHZ-UHFFFAOYSA-N,3,1,0.456,95,493,442.483,2.75,5,0.361,0.69,1.0,0.14837057089986977,0.031543417174970875,0.23019326982386404,0.14984408196833665,0.13998783496676034
EOS-3-24444,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)c(F)c1,YBOMVSCUTQRJTK-UHFFFAOYSA-N,3,1,0.639,84,73,448.408,4.287,5,0.386,0.73,1.0,0.8665101775066822,0.869971215132616,0.8870108285929683,0.8905918031663355,0.8785210060996506
EOS-3-24445,COCc1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)cn1,DDCFRGPUQMQVIN-UHFFFAOYSA-N,3,1,0.39,33,53,469.465,1.863,5,0.356,0.7,0.995,0.3063018298951408,0.08494962648207799,0.1347405935165513,0.06170755945445823,0.1469249023370571
EOS-3-24446,FC(F)n1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)nn1,AAPGJRGKTGFKGW-UHFFFAOYSA-N,3,1,0.347,25,791,469.419,3.359,6,0.374,0.69,0.989,0.17554485641834008,0.26818758138578574,0.20898156397779452,0.3335617846617778,0.24656894661092454
EOS-3-24447,CC(C)(C)OC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnco5)cn4)n23)cc1,VVMBYHBELBQYJT-UHFFFAOYSA-N,3,1,0.338,82,453,441.451,3.859,5,0.383,0.76,1.0,0.3388818449729285,0.13330135014735112,0.3507556027688301,0.14740250839558633,0.24258532657117401
EOS-3-24448,COc1ccc(-c2nnc3cncc(Oc4ncccc4Cl)n23)cc1-c1ccccn1,LNHSTYKXLHEAQO-UHFFFAOYSA-N,3,1,0.457,13,61,430.855,4.703,5,0.399,0.75,1.0,0.7343139606606812,0.6794171064354739,0.6717411417997395,0.610299157014598,0.6739428414776232
EOS-3-24449,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)n1,GWRCTEIFNSWODQ-UHFFFAOYSA-N,3,1,0.477,54,670,416.832,3.271,5,0.402,0.76,1.0,0.48165821396751424,0.5220683983277363,0.2731820985539031,0.34321670893016243,0.405031354944829
EOS-3-24451,FC(F)c1ccc(-c2nnc3cncc(Cc4cnc(C#Cc5ccncc5)cn4)n23)cn1,QJDDVKUONIDKPL-UHFFFAOYSA-N,3,1,0.383,85,290,440.417,3.3,5,0.396,0.61,1.0,0.3316513604276609,0.41936810362552257,0.7776883010074703,0.6916763758481256,0.5550960352271949
EOS-3-24452,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)o5)n34)cn2)n1,YYCVFGDXNACKJN-UHFFFAOYSA-N,3,1,0.296,99,719,423.4,2.094,6,0.414,0.64,0.817,0.10526180522239736,0.0942875745322459,0.03702624905763827,0.037488862997738334,0.06851612295250496
EOS-3-24453,c1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cnccn5)n34)cn2)cc1,PMDAERUQZCPWLS-UHFFFAOYSA-N,3,1,0.263,39,953,418.424,2.891,6,0.429,0.68,0.967,0.0011565348502501542,0.003178329106983757,0.14380439997258584,0.19846994722774314,0.08665230278939072
EOS-3-24454,COc1ncc(-c2nnc3cncc(OCc4cncc(-c5cccs5)n4)n23)cn1,MSQMGRKPEQICQH-UHFFFAOYSA-N,3,1,0.422,7,535,418.442,2.687,5,0.41,0.72,1.0,0.4203790007538894,0.3141405661023919,0.0845983825645946,0.049216983071756565,0.21708373312315812
EOS-3-24455,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,XTSMSQFOGRMHGO-UHFFFAOYSA-N,3,1,0.306,30,365,417.436,3.496,6,0.433,0.72,1.0,0.005971146597217463,0.004694674799533959,0.1688026865876225,0.2692584469878692,0.11218173874306078
EOS-3-24456,CCOC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncnn5C)nc4)n23)cc1,RLMCWZLTLUQIKL-UHFFFAOYSA-N,3,1,0.534,89,512,456.466,2.738,5,0.34,0.74,1.0,0.4768179014460969,0.1370022616681516,0.14675142210951958,0.06322390514700843,0.20594887259269418
EOS-3-24457,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)nc2)s1,PAPPGPHSMCNHEQ-UHFFFAOYSA-N,3,1,0.284,10,37,437.492,3.866,6,0.413,0.68,0.986,0.0007024878349667603,0.009440751147967925,0.13474916044136798,0.16070694263587143,0.07639983551504352
EOS-3-24458,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1,ZOEIKXWAVPFJBQ-UHFFFAOYSA-N,3,1,0.289,98,866,422.416,1.829,6,0.45,0.63,1.0,0.13214481529710095,0.1072236310054143,0.0667192104722089,0.08128298266054416,0.09684265985881708
EOS-3-24459,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)cn1,ALJRTJMJXPHYPX-UHFFFAOYSA-N,3,1,0.279,99,968,422.416,1.829,6,0.45,0.63,0.995,0.11280069906106505,0.07453224590500994,0.05689294770749092,0.05432287026249057,0.07463719073401412
EOS-3-24460,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4nnco4)n23)nc1,BEYVPNNRFMFNEG-UHFFFAOYSA-N,3,1,0.263,70,813,423.4,2.094,6,0.414,0.65,0.815,0.04792337742443972,0.026266191487903504,0.04946542389143993,0.05433143718730724,0.0444966074977726
EOS-3-24461,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)n5)n34)nc2)cc1,IYBCRTNZBBMVBK-UHFFFAOYSA-N,3,1,0.326,3,298,459.448,4.112,6,0.39,0.69,0.966,0.03927078335960524,0.1889006922075252,0.7140703173188953,0.7713659104927695,0.4284019258446988
EOS-3-24462,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4Cl)n23)nc1,GEXDNODHBLCETH-UHFFFAOYSA-N,3,1,0.282,98,219,469.9,3.098,6,0.386,0.68,1.0,0.1207422383661161,0.23230930025358099,0.1784661777808238,0.2512507710232335,0.1956921218559386
EOS-3-24463,Fc1cc(Cl)c(OCc2cncc3nnc(-c4ccc(-c5nncs5)nc4)n23)cn1,IBXSLRCSHZAGEV-UHFFFAOYSA-N,3,1,0.353,85,920,440.851,3.471,5,0.382,0.68,1.0,0.47164347885682956,0.593173874306079,0.43939757384689193,0.4821722294565143,0.49659678911657873
EOS-3-24464,Cc1nn(C)cc1-c1nc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)cs1,PMIGDHOKKJKAIL-UHFFFAOYSA-N,3,1,0.535,4,10,439.451,3.814,5,0.414,0.67,1.0,0.4156671921047221,0.5782759920498938,0.38820163114248507,0.39158556644506887,0.4434325954355424
EOS-3-24465,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ccccn1,MMKQFCNMZCPHJV-UHFFFAOYSA-N,3,1,0.489,13,209,431.402,4.932,5,0.393,0.8,1.0,0.9115550681927216,0.8009475018847234,0.9131056815845384,0.8726697964498663,0.8745695120279624
EOS-3-24466,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)c1,MBDWYYSWWAWJAJ-UHFFFAOYSA-N,3,1,0.416,51,184,453.388,2.975,5,0.4,0.6,1.0,0.4644729627852786,0.5266774038791036,0.7752124597354534,0.6135031868960318,0.5949665033239668
EOS-3-24467,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1Cl,PZRFZWSIPFTBFO-UHFFFAOYSA-N,3,1,0.581,37,626,450.865,3.396,5,0.366,0.68,1.0,0.8221335069563429,0.8205057912411761,0.5366064697416215,0.5604996230553081,0.6849363477486121
EOS-3-24468,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4scnc4-c4ccccc4)n23)cc1,FSEFXKSQXOSRJP-UHFFFAOYSA-N,3,1,0.292,30,498,434.488,4.434,6,0.405,0.74,0.998,0.018984305393735863,0.03155198409978754,0.1624117606743883,0.29296312795558904,0.12647779453087518
EOS-3-24469,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)[nH]n2)nc1,WYGNLMYUUDSLKM-UHFFFAOYSA-N,3,1,0.382,37,963,438.373,3.01,5,0.434,0.64,0.985,0.5719707353848262,0.4281235007881571,0.6080803234870811,0.6426221643478857,0.5626991810019875
EOS-3-24470,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)ncc4Cl)n23)cc1,JFAKRBORYYUFJW-UHFFFAOYSA-N,3,1,0.56,4,539,450.289,4.529,5,0.389,0.73,1.0,0.8166849427729422,0.9348913713933247,0.5264717976835035,0.6654701528339387,0.7358795661709273
EOS-3-24471,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cc(C)nn5C)c4)n23)nc1,UKDPLZBCSXJNKF-UHFFFAOYSA-N,3,1,0.461,95,348,429.459,3.922,5,0.421,0.7,1.0,0.48916284010691524,0.3862226715098348,0.559882804468508,0.4544924953738606,0.4724402028647797
EOS-3-24472,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)nn5C)ccc4F)n23)cn1,ZTHJNQAAXGXLGA-UHFFFAOYSA-N,3,1,0.489,4,677,429.459,3.922,5,0.421,0.7,1.0,0.5451391268590227,0.5266859708039202,0.6255911178123501,0.49736138715646633,0.5486944006579398
EOS-3-24473,COCc1nccc(COc2cncc3nnc(-c4cccc(-c5nccn5C)c4)n23)n1,XOCCYTNUYXUYNU-UHFFFAOYSA-N,3,1,0.484,15,921,428.456,2.707,5,0.39,0.66,1.0,0.30631039681995753,0.12673908573778356,0.15598656706188746,0.09608662874374614,0.17128066959084368
EOS-3-24474,Fc1cc(CCOc2cncc3nnc(-c4nccnc4-c4ccccn4)n23)ccc1Cl,SNTMUMVDFLQFMK-UHFFFAOYSA-N,3,1,0.598,84,360,447.861,4.057,5,0.387,0.7,0.995,0.7726509492152697,0.7318638201631142,0.5667534781714756,0.6426307312727023,0.6784747447056405
EOS-3-24475,COCc1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ccc4F)n23)cn1,KAXZWFGBSFZWRE-UHFFFAOYSA-N,3,1,0.473,36,728,447.434,2.241,5,0.37,0.67,1.0,0.4480073332876431,0.5403159481872387,0.2918579946542389,0.25442910013021725,0.3836525940648345
EOS-3-24476,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cn5)n34)nc2)nc1,HIGZXBHRYLOCDJ-UHFFFAOYSA-N,3,1,0.253,86,977,419.412,2.49,6,0.457,0.66,1.0,0.12935199780686724,0.11956856966623261,0.12599376327873346,0.13137379206360084,0.12657203070385853
EOS-3-24477,Fc1cc(-c2cn[nH]c2)cc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)c1,FTFJKYPXLWLCHV-UHFFFAOYSA-N,3,1,0.477,16,772,422.811,3.343,5,0.433,0.66,1.0,0.7611370022616681,0.6794256733602906,0.7272976492358303,0.7298163251319306,0.7244191624974299
EOS-3-24478,Cc1nc(C)nc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)n1,XKEHOVPAENMQHS-UHFFFAOYSA-N,3,1,0.471,75,565,445.874,3.283,5,0.375,0.66,1.0,0.6579912274689877,0.6169128229730656,0.19144506887807552,0.17940853951065724,0.41143941470769657
EOS-3-24479,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c2)nn1,QKXJAMOBJKXILD-UHFFFAOYSA-N,3,1,0.272,99,719,436.443,1.839,6,0.406,0.61,0.879,0.024227263381536565,0.017836337468302377,0.06889520937564252,0.06171612637927489,0.04316873415118909
EOS-3-24480,Cn1ccnc1-c1cnnc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)c1,XGOSWBCFPFSUNN-UHFFFAOYSA-N,3,1,0.394,65,65,434.851,2.047,5,0.395,0.61,1.0,0.4410509903365088,0.3862312384346515,0.04606435473922281,0.0665050373517922,0.2349629052155438
EOS-3-24481,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5nncnn5)c4)n23)nc1,NQRYWLZYTIVGPZ-UHFFFAOYSA-N,3,1,0.263,99,813,434.427,1.896,6,0.404,0.59,1.0,0.029804331437187307,0.009449318072784593,0.10388253032691386,0.10867144129943115,0.06295190528407923
EOS-3-24482,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)s4)n23)nc1,BXIKLYDLQLVJKC-UHFFFAOYSA-N,3,1,0.255,99,259,441.484,2.506,6,0.41,0.62,0.999,0.04516482763347269,0.07454081282982661,0.028407922692070455,0.028450757316153794,0.044141080117880885
EOS-3-24483,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)c(F)c1,ITYBJELQDIARIQ-UHFFFAOYSA-N,3,1,0.306,42,42,450.441,3.245,6,0.402,0.63,1.0,0.244868412034816,0.29421389897882255,0.4499520252210267,0.4418048797203756,0.3577098039887602
EOS-3-24484,Cc1nncc(Cc2cncc3nnc(-c4ccc(Cl)c(OCC(F)F)c4)n23)n1,WZKONIHGUHHEDH-UHFFFAOYSA-N,3,1,0.374,68,455,417.807,3.173,4,0.475,0.63,1.0,0.5503735179220067,0.6939466109245426,0.6688712219861559,0.6683914741964224,0.6453957062572819
EOS-3-24485,Cc1nnc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1C,FBJPHSVROLAXAU-UHFFFAOYSA-N,3,1,0.556,36,404,437.916,4.189,5,0.41,0.72,1.0,0.5977314783085463,0.7757778767733534,0.24097046124323213,0.31782434377355906,0.48307604002467275
EOS-3-24486,Cn1ccc(-c2cccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)n5)n34)c2)c1F,KMQVKGVYRNHOJZ-UHFFFAOYSA-N,3,1,0.317,42,151,438.43,2.974,6,0.417,0.61,1.0,0.04073572750325543,0.12674765266260024,0.37721883352751695,0.39752244534301967,0.23555616475909807
EOS-3-24487,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)c1,PLRMLWIRKCIWHL-UHFFFAOYSA-N,3,1,0.385,93,152,435.422,4.709,6,0.396,0.76,1.0,0.3063189637447742,0.40071790829963677,0.74997429922555,0.7736275786443698,0.5576596874785826
EOS-3-24488,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)nc1,UNCVMFGAEDBIFQ-UHFFFAOYSA-N,3,1,0.297,70,392,438.48,3.167,6,0.412,0.6,1.0,0.014632307586868617,0.0557792474813241,0.17847474470564045,0.18225275854979098,0.10778476458090604
EOS-3-24489,CNC(C)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cc1,BWLDJZAPWPHYRB-UHFFFAOYSA-N,3,1,0.523,89,770,438.495,3.503,5,0.412,0.61,1.0,0.4816667808923309,0.21701733945582893,0.5567473099856076,0.3723099856075663,0.4069353539853334
EOS-3-24490,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)n1,UIAYNBHRKZPYBP-UHFFFAOYSA-N,3,1,0.284,70,392,424.453,3.157,6,0.458,0.66,1.0,0.10527037214721403,0.17171544102528957,0.13475772736618463,0.144986635597286,0.13918254403399355
EOS-3-24491,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)n(C)n1,ZXJWWVOVJOZPEI-UHFFFAOYSA-N,3,1,0.5,36,208,451.853,3.057,5,0.401,0.61,1.0,0.552917894592557,0.6305856349804674,0.2302018367486807,0.2720769652525529,0.42144558289356454
EOS-3-24492,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)ncn2)nn1,KMBMSGZGDWDQNL-UHFFFAOYSA-N,3,1,0.439,7,185,441.415,0.815,5,0.395,0.61,1.0,0.3850147351106847,0.17623877732849016,0.02619765608937016,0.009475018847234597,0.1492315468439449
EOS-3-24493,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5nnco5)cn4)n23)cn1,HWVIRHNDVBQPEE-UHFFFAOYSA-N,3,1,0.293,99,286,424.388,1.489,6,0.404,0.63,0.998,0.1263021725721335,0.06730176135974231,0.02729422246590364,0.029316016722637242,0.06255354328010417
EOS-3-24494,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)nc2)cn1,ZKOGPMGYCLSCGX-UHFFFAOYSA-N,3,1,0.281,94,165,434.488,4.434,6,0.405,0.72,1.0,0.04362278116647248,0.09731169899252964,0.5021845658282503,0.5208947296278528,0.2910034439037763
EOS-3-24495,Cc1cc(-c2cn(C)nc2C)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,VVMUSIUJTKIZJI-UHFFFAOYSA-N,3,1,0.448,31,544,426.484,3.22,5,0.411,0.68,0.999,0.2581642793502844,0.02627475841272017,0.20552052635186074,0.12706462888081693,0.15425604824892056
EOS-3-24496,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)cn1,IIPBLZFNULXGTM-UHFFFAOYSA-N,3,1,0.433,51,196,433.863,3.092,5,0.402,0.64,1.0,0.34830546227126313,0.35786615036666436,0.17533925022274005,0.17384003837982318,0.2638377253101227
EOS-3-24497,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)nc1,WTJWXKVGPHQQLE-UHFFFAOYSA-N,3,1,0.708,34,293,450.836,4.759,5,0.384,0.76,1.0,0.9912960043862655,0.9879377698581318,0.9075029127544376,0.9235230621616065,0.9525649372901103
EOS-3-24498,Clc1ccc(-c2ccc(OCc3cncc4nnc(-c5cnc(Cl)nc5)n34)nc2)nn1,JGAVOTSPNLQCMS-UHFFFAOYSA-N,3,1,0.343,85,434,452.265,3.319,5,0.37,0.67,1.0,0.42269207045438967,0.512893221849085,0.402876773353437,0.44181344664519223,0.445068878075526
EOS-3-24499,Fc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)c1,KIXITHGBRGSGET-UHFFFAOYSA-N,3,1,0.5,2,884,417.379,3.501,5,0.432,0.75,1.0,0.6858080323487081,0.6647505311493387,0.8705023644712494,0.8597423069015147,0.7702008087177027
EOS-3-24500,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ncn2)cn1,VQVYBTQPPRLFGA-UHFFFAOYSA-N,3,1,0.424,46,488,438.373,2.978,5,0.389,0.64,0.778,0.5272942224659036,0.40526694537728736,0.8207370982112261,0.7663799602494689,0.6299195565759715
EOS-3-24502,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nn2C)cn1,HRCFZEBQSCBXLV-UHFFFAOYSA-N,3,1,0.6,95,493,446.902,3.565,5,0.393,0.66,1.0,0.3758481255568501,0.35280309780001373,0.33214824206702764,0.34970187101637995,0.35262533411006786
EOS-3-24503,Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(F)cc5F)cn4)n23)c(C)n1,RPHUWMHWTDHDOH-UHFFFAOYSA-N,3,1,0.32,96,586,430.418,4.936,5,0.402,0.79,1.0,0.4768264683709136,0.5931824412308958,0.8073726954972243,0.7663885271742855,0.6609425330683298
EOS-3-24504,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)ccn1,RDBDOJHOHDDYGX-UHFFFAOYSA-N,3,1,0.312,9,7,417.436,3.7,6,0.466,0.72,1.0,0.1427763689945857,0.12308100884106642,0.4815382770200809,0.4790196011239805,0.30660381399492836
EOS-3-24505,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)cc1=O,CJFSRHICBVNRPL-UHFFFAOYSA-N,3,1,0.411,16,379,464.848,2.714,5,0.365,0.72,1.0,0.532211637310671,0.4591015009252279,0.3918768418888356,0.4067918579946542,0.44749545952984715
EOS-3-24506,CCNC(=O)c1ccc(-c2nnc3cncc(CCCc4cc(-c5ccccn5)ncn4)n23)cc1,WESNCYAXSUSFNY-UHFFFAOYSA-N,3,1,0.443,52,916,464.533,3.568,5,0.374,0.68,1.0,0.18429168665615792,0.07454937975464328,0.08686861764101159,0.0632324720718251,0.10223553903090947
EOS-3-24507,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)cc2F)n1,KVZCQHCYRQCOPL-UHFFFAOYSA-N,3,1,0.494,27,343,452.4,3.638,5,0.388,0.67,1.0,0.5692892879172092,0.6553097800013707,0.784507573161538,0.6802052635186073,0.6723279761496813
EOS-3-24508,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cc(F)ccn5)c(F)c4)n23)n(C)n1,LYDCZYIKQLUJJF-UHFFFAOYSA-N,3,1,0.506,4,677,433.422,3.752,5,0.42,0.65,1.0,0.5191385100404359,0.5041035569871839,0.6551898430539373,0.6193458296209993,0.574444434925639
EOS-3-24509,CCn1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)c(-c2ccc(C)nc2)n1,AGDDKVBWUKWGRH-UHFFFAOYSA-N,3,1,0.281,94,165,460.505,3.897,6,0.381,0.71,1.0,0.05444280720992393,0.059642930573641284,0.21939037763004593,0.1957028305119594,0.13229473648139262
EOS-3-24510,Cc1noc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)n2)n1,XYVXFCJGILILRM-UHFFFAOYSA-N,3,1,0.333,32,750,450.437,4.413,6,0.389,0.72,1.0,0.29863443218422314,0.38623980535946817,0.34296826811047904,0.4068004249194709,0.35866073264341036
EOS-3-24511,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c(F)c2)n1,FFVDEICZYHYXDO-UHFFFAOYSA-N,3,1,0.494,73,469,454.828,3.492,5,0.401,0.67,1.0,0.6064354739222808,0.6892690699746419,0.7545576040024673,0.7587039956137345,0.7022415358782812
EOS-3-24512,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)c1,KOCUIBSABKQEBR-UHFFFAOYSA-N,3,1,0.37,3,641,441.455,3.901,6,0.442,0.64,1.0,0.1026745939277637,0.34811698992529644,0.3098742375436913,0.4035963950380371,0.29106555410869717
EOS-3-24513,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccncc1,KWWASFVPOIFSAG-UHFFFAOYSA-N,3,1,0.542,35,103,442.454,4.018,5,0.352,0.73,1.0,0.8751884723459666,0.7885254609005551,0.7246162017682133,0.6193543965458159,0.7519211328901378
EOS-3-24514,Cn1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1ccc(Cl)nc1,VZGWIZYDLAAQDR-UHFFFAOYSA-N,3,1,0.467,95,493,450.865,3.396,5,0.366,0.7,1.0,0.5191470769652525,0.48997669796449866,0.5092694126516346,0.5310808032348708,0.5123684977040641
EOS-3-24515,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)nc2)n1,HLUDNEGFCRYDLY-UHFFFAOYSA-N,3,1,0.325,70,968,467.884,3.154,6,0.359,0.7,0.999,0.12936056473168392,0.2478925364950997,0.21939894455486258,0.2841134946199712,0.22019138510040437
EOS-3-24516,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccncn5)cc4F)n23)c1F,UIYZSUIVQUERTO-UHFFFAOYSA-N,3,1,0.451,16,606,431.406,3.809,5,0.418,0.65,1.0,0.8956719895826194,0.7716057843876362,0.8015386196970735,0.7354190939620314,0.8010588719073402
EOS-3-24517,Cc1cnc(-c2ncc(COc3cncc4nnc(-c5ccccc5F)n34)cc2F)cn1,AHNONCZODKCSFT-UHFFFAOYSA-N,3,1,0.506,59,109,431.406,3.809,5,0.418,0.65,1.0,0.7037900075388939,0.7364556918648482,0.655198409978754,0.6337639640874512,0.6823020183674868
EOS-3-24518,Cc1nc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)ccc1F,PDYIOENSXRWWGI-UHFFFAOYSA-N,3,1,0.44,46,267,431.406,3.809,5,0.418,0.65,1.0,0.5579209786854911,0.4853848262627647,0.6582311013638544,0.6193629634706326,0.5802249674456856
EOS-3-24519,Cn1ccc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)n1,CLMVCQRUCAJEGX-UHFFFAOYSA-N,3,1,0.489,16,55,435.85,3.958,5,0.389,0.7,1.0,0.6146511548214653,0.5682612569392091,0.7684531560551024,0.7405763827016654,0.6729854876293606
EOS-3-24520,Cc1cnnc(-c2cnc(Cc3cncc4nnc(-c5ccc(-c6cncnn6)cc5)n34)cn2)n1,XFVWASROSHIUKZ-UHFFFAOYSA-N,3,1,0.316,71,167,460.465,2.185,6,0.373,0.62,1.0,0.16487046809677197,0.10723219793023096,0.07325577410732644,0.07958673154684394,0.10623629292029332
EOS-3-24521,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)nc1,SJXVGHKMGRZNKP-UHFFFAOYSA-N,3,1,0.409,41,318,446.474,4.441,6,0.386,0.74,1.0,0.5016705503392502,0.32411246658899323,0.5230792954561031,0.45450106229867726,0.45084084367075594
EOS-3-24522,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)c1,MSKUOLVLKAFZAD-UHFFFAOYSA-N,3,1,0.318,98,314,450.441,3.245,6,0.402,0.62,1.0,0.2312641354259475,0.3332191076691111,0.3882101980673018,0.4164896168871222,0.34229576451237065
EOS-3-24523,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccno6)nc5)n34)ncn2)cc1,SQRBDZDZTBJQNN-UHFFFAOYSA-N,3,1,0.342,32,20,436.41,4.104,6,0.406,0.7,0.997,0.29330580494825575,0.36232951819614834,0.6080888904118977,0.6337725310122678,0.47437418614214244
EOS-3-24524,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4nc(-c5ccccn5)ncc4F)n23)cc1,ZFOFMHTXGBZDKP-UHFFFAOYSA-N,3,1,0.393,52,916,480.507,3.46,6,0.38,0.78,1.0,0.29331437187307247,0.19782742786649304,0.0732643410321431,0.12043382907271606,0.17120999246110616
EOS-3-24525,Fc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)c1F,WCJYKBAREURJAK-UHFFFAOYSA-N,3,1,0.506,11,490,430.418,4.148,5,0.403,0.68,1.0,0.8010845726817901,0.7757864436981701,0.7866236035912549,0.7968610787471729,0.790088924679597
EOS-3-24526,CC(O)(c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cc4)n23)cn1)C(F)F,UKLPHPLJGRWFLU-UHFFFAOYSA-N,3,1,0.397,96,204,444.445,4.388,5,0.433,0.69,0.995,0.33889041189774516,0.42813206771297374,0.964849907477212,0.9286974847508739,0.6651424679597012
EOS-3-24527,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccon5)cc4)n23)nn1,HCDLEWDUMLYWBD-UHFFFAOYSA-N,3,1,0.31,3,783,424.399,3.833,6,0.424,0.69,1.0,0.0464927009800562,0.17624734425330682,0.5467411417997395,0.6163131382358988,0.3464485813172503
EOS-3-24528,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1,MLYCLTBLWAVOMU-UHFFFAOYSA-N,3,1,0.575,43,178,434.862,4.563,5,0.405,0.73,1.0,0.8395329312589953,0.8009560688095402,0.8964515797409361,0.8852974436296347,0.8555595058597766
EOS-3-24529,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)c1,QYCIMFUIXNXJLU-UHFFFAOYSA-N,3,1,0.415,18,481,444.886,3.622,5,0.366,0.69,0.999,0.6430590775135357,0.5592916866561579,0.3845863888698513,0.38198204372558425,0.49222979919128235
EOS-3-24530,Cc1cnccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,PUHBDBVPFVLIRH-UHFFFAOYSA-N,3,1,0.369,62,341,464.504,4.86,6,0.402,0.78,1.0,0.2905815228565554,0.24280378315399903,0.6171098622438489,0.6483020355013365,0.44969930093893495
EOS-3-24531,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cccc(-c4ccccn4)c3)n12,FKYVZANOERZRPJ-UHFFFAOYSA-N,3,1,0.495,11,275,446.873,4.662,5,0.377,0.75,1.0,0.8552875059968473,0.858183126584881,0.740019532588582,0.7852957302446714,0.8096964738537454
EOS-3-24532,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)o1,YQYDNQKKZAAHGQ-UHFFFAOYSA-N,3,1,0.524,4,241,425.861,3.839,5,0.418,0.71,1.0,0.5167055033925022,0.5540915632924406,0.2089901309026112,0.23968542252073197,0.37986815502707144
EOS-3-24533,Cn1nnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,YKWSEEXESUDKRP-UHFFFAOYSA-N,3,1,0.286,70,596,467.884,3.154,6,0.384,0.67,1.0,0.1321533822219176,0.31414913302720854,0.24435439654581592,0.3432252758549791,0.2584705469124803
EOS-3-24535,Fc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ccccn1,CWVXQPXQRGEFCW-UHFFFAOYSA-N,3,1,0.472,44,122,433.834,4.015,5,0.386,0.72,1.0,0.6520886162703036,0.6892776368994585,0.5922657802755124,0.6368994585703516,0.6426328730039065
EOS-3-24536,COc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)cnn4)n23)c1,MMHHSKJXYNMESY-UHFFFAOYSA-N,3,1,0.564,19,785,460.885,3.322,5,0.36,0.67,0.742,0.667397710917689,0.6501867589610033,0.3993214995545199,0.372318552532383,0.5223061304913987
EOS-3-24537,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccoc5)cn4)n23)cc1,MXCNXVWCWUXZMG-UHFFFAOYSA-N,3,1,0.548,89,943,413.397,2.519,5,0.449,0.78,1.0,0.5503820848468234,0.18890925913234186,0.2808751970392708,0.18491707216777464,0.30127090329655265
EOS-3-24538,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cocn5)c4)n23)cc1,VDFJYSVJNJEUOC-UHFFFAOYSA-N,3,1,0.529,89,656,413.397,2.519,5,0.449,0.78,1.0,0.6064440408470976,0.15976458090603796,0.38821876499211844,0.2544376670550339,0.35221626345007195
EOS-3-24539,COCc1cc(C)ncc1-c1cncc2nnc(-c3cnc(-c4ccnc(F)c4)nc3)n12,AFABTTVIPCMRRK-UHFFFAOYSA-N,3,1,0.31,82,489,428.431,3.299,5,0.393,0.7,1.0,0.38502330203550134,0.3672726338153656,0.4850335823452813,0.40058083750257006,0.4094775889246796
EOS-3-24540,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)n1,GOWIDTWBFDBDGF-UHFFFAOYSA-N,3,1,0.523,15,275,431.887,3.862,5,0.406,0.71,1.0,0.5606024261531081,0.5682698238640258,0.3283016928243438,0.4196593790692893,0.4692083304776918
EOS-3-24541,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1,RNBRIZBTHPGJFJ-UHFFFAOYSA-N,3,1,0.575,15,447,417.408,2.137,5,0.413,0.73,1.0,0.7159807415530122,0.6022719484613803,0.23021040367349735,0.25125933794805017,0.449930607908985
EOS-3-24542,c1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)cc2)cc1,ZCTBWARWTPAUCU-UHFFFAOYSA-N,3,1,0.333,93,987,427.471,4.977,6,0.395,0.82,1.0,0.12358645740524982,0.1408573778356521,0.5700517442258927,0.6337810979370845,0.3670691693509698
EOS-3-24543,Cc1cc2nc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)ccc2c(F)n1,OJBHWZDKZMHHMP-UHFFFAOYSA-N,3,1,0.321,38,608,434.438,4.306,6,0.383,0.75,1.0,0.3266739771091769,0.4502175998903434,0.5432629703241725,0.5310893701596875,0.46281097937084503
EOS-3-24544,c1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cncnn6)n5)n34)cc2)nc1,WWDRTJFAZPXCOS-UHFFFAOYSA-N,3,1,0.289,8,927,421.388,1.076,6,0.402,0.66,1.0,0.013124528819135083,0.017844904393119046,0.016799739565485573,0.023747515591803166,0.017879172092385716
EOS-3-24545,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCc5nccc(F)c5F)n34)c2)nc1,YGBDKHOMZZWWFQ-UHFFFAOYSA-N,3,1,0.404,73,65,437.345,2.43,5,0.409,0.62,1.0,0.5692978548420259,0.5885220341306284,0.4743420601740799,0.5074874922897676,0.5349123603591255
EOS-3-24546,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncon5)cc(F)c4F)n23)cn1,CLRZHJIAWOFDIU-UHFFFAOYSA-N,3,1,0.5,16,82,421.367,3.402,5,0.425,0.71,1.0,0.7434291686656158,0.6598588170790213,0.7167089301624289,0.6455948872592694,0.691397950791584
EOS-3-24548,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)cn2)n1,LODRTYDIYJNZQX-UHFFFAOYSA-N,3,1,0.585,16,32,448.849,3.718,5,0.4,0.63,1.0,0.9263929819751902,0.9501661983414433,0.5366150366664382,0.5980141868274964,0.752797100952642
EOS-3-24549,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)n1,BSIDICSYLWEXGX-UHFFFAOYSA-N,3,1,0.571,4,712,448.849,3.718,5,0.4,0.63,1.0,0.6614436981701048,0.792860324857789,0.5432715372489891,0.5829878006990611,0.645140840243986
EOS-3-24550,Fc1cc(-c2nccnc2-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)ccn1,LRGBGXLWMNEJHJ-UHFFFAOYSA-N,3,1,0.313,64,136,448.425,3.301,6,0.374,0.64,0.923,0.25297272291138373,0.2783907888424371,0.18496847371667466,0.26023747515591805,0.24414236515660342
EOS-3-24552,Cc1c(F)cc(-c2nncs2)cc1COc1cncc2nnc(-c3ccc(F)cn3)n12,FGTQACADIPAGME-UHFFFAOYSA-N,3,1,0.398,46,915,437.435,3.87,5,0.412,0.67,1.0,0.6767699266671235,0.5834075800150778,0.634492152696868,0.6135117538208484,0.6270453532999793
EOS-3-24553,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,VKHGZOMOARLGQA-UHFFFAOYSA-N,3,1,0.535,67,402,451.454,2.346,6,0.404,0.62,1.0,0.509260845726818,0.31939209101500926,0.15298814337605374,0.14499520252210266,0.2816590706599959
EOS-3-24554,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)nc1,PMAXUSVZUJAAHH-UHFFFAOYSA-N,3,1,0.269,86,812,422.412,2.699,6,0.421,0.65,1.0,0.17014769378383934,0.07789904735796038,0.12337228428483311,0.11806935782331575,0.12237209581248715
EOS-3-24555,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncc(F)c5C)c4)n23)cn1,MSZOVUAEKXUXLI-UHFFFAOYSA-N,3,1,0.536,59,109,444.445,4.722,5,0.39,0.79,1.0,0.8622952504968816,0.8009646357343568,0.8977708861627031,0.8440819683366458,0.8512781851826468
EOS-3-24556,Cc1ccc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)cc1-c1ncnn1C,SLRLNYPSZGJGHB-UHFFFAOYSA-N,3,1,0.484,16,606,430.447,3.317,5,0.422,0.63,1.0,0.4716520457816462,0.409944486327188,0.41307141388527174,0.31177609485299157,0.40161101021177437
EOS-3-24557,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)cn1,SMAWECXDAZDQBM-UHFFFAOYSA-N,3,1,0.442,33,62,434.41,3.498,5,0.404,0.66,0.999,0.6089370159687478,0.3719159070659996,0.6409430470838188,0.5345247070111713,0.5390801692824343
EOS-3-24558,Fc1cc(-c2ncccc2F)ccc1-c1nnc2cncc(OCc3cc(Cl)ncn3)n12,LOEYKVDPPQDNEX-UHFFFAOYSA-N,3,1,0.494,4,71,451.824,4.154,5,0.371,0.75,1.0,0.7924148447673223,0.8699797820574326,0.8301692824343774,0.8513295867315468,0.8359733739976698
EOS-3-24559,Cn1nc(-c2ccc(Cl)cn2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,XOMAJGKCPDOBBJ-UHFFFAOYSA-N,3,1,0.306,30,301,465.908,4.364,6,0.381,0.74,0.982,0.11836063326708245,0.2526900143924337,0.22287711603042973,0.38502330203550134,0.2447377664313618
EOS-3-24560,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)c(Cl)n4)n23)cc1,IYUOZTXKEIVCAQ-UHFFFAOYSA-N,3,1,0.385,0,999,408.824,3.538,5,0.522,0.86,1.0,0.2986429991090398,0.3040315948187239,0.42455966006442325,0.5765197724624769,0.4009385066136659
EOS-3-24561,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnc(C)n5C)n4)n23)cc1F,OARVYXRVDDRHLD-UHFFFAOYSA-N,3,1,0.506,7,677,430.447,3.317,5,0.422,0.64,1.0,0.5579295456103077,0.5358354465081214,0.284584675484888,0.22199472277431292,0.4000860975944075
EOS-3-24563,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)nc1,KMEURWIUQGLUDW-UHFFFAOYSA-N,3,1,0.301,39,449,467.443,3.989,6,0.387,0.7,1.0,0.1815759714892742,0.2733448701254198,0.5734356795284764,0.6163217051607155,0.4111695565759715
EOS-3-24564,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)cc1Cl,XBLYTHVBKCDROV-UHFFFAOYSA-N,3,1,0.384,45,102,438.253,4.756,5,0.404,0.72,1.0,0.4134055239531218,0.6257624563086834,0.9361849770406415,0.9664690562675622,0.7354555033925022
EOS-3-24565,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)c(CO)n1,UAUIOADWUDYWKR-UHFFFAOYSA-N,3,1,0.642,43,11,448.433,3.541,5,0.427,0.67,1.0,0.5920773079295456,0.5541001302172572,0.8480141868274964,0.8012130765540402,0.6988511753820849
EOS-3-24566,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(C)nc5)n34)c2)nc1,JZQNGCQUFFZVTE-UHFFFAOYSA-N,3,1,0.438,53,873,424.468,3.277,5,0.409,0.66,1.0,0.5373517922006716,0.21702590638064562,0.2622849701871016,0.19033136865190872,0.30174850935508196
EOS-3-24568,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cn2)nc1,FUOHLMUOZJUURX-UHFFFAOYSA-N,3,1,0.3,32,191,419.408,3.36,6,0.423,0.69,1.0,0.19008292783222536,0.1408659447604688,0.2586782948392845,0.2692670139126859,0.21472354533616614
EOS-3-24569,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5cccc(Cl)c5)n34)cc2F)nc1,XHOPFFWLNOUOMH-UHFFFAOYSA-N,3,1,0.593,73,82,451.824,4.154,5,0.396,0.67,1.0,0.7191847714344459,0.8519806730176136,0.7663028579261189,0.8143633061476252,0.7879579021314509
EOS-3-24571,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nccc(F)c5F)cnn4)n23)cc1,JNJCEBVPTPSBJH-UHFFFAOYSA-N,3,1,0.46,89,534,474.431,2.86,5,0.399,0.65,1.0,0.4965646631485162,0.37687615653485024,0.5467497087245562,0.4383695428688918,0.4646400178192036
EOS-3-24572,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)n1,IENHWMQLJYEJFN-UHFFFAOYSA-N,3,1,0.465,51,196,449.837,3.113,5,0.398,0.62,1.0,0.8416489616887122,0.8317198958261942,0.30619902679734085,0.3497104379411966,0.582319580563361
EOS-3-24574,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4cncnn4)n3)n12,NVYXJUWVWUWEEJ-UHFFFAOYSA-N,3,1,0.511,4,10,434.822,3.41,5,0.414,0.62,1.0,0.7284199163868138,0.8916112672195189,0.5987252415872798,0.6539819066547872,0.7181845829621
EOS-3-24575,Fc1cccnc1-c1ccnc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,YFBFCYWEAMENTH-UHFFFAOYSA-N,3,1,0.429,46,181,434.822,3.41,5,0.414,0.62,1.0,0.5298043314371873,0.5682783907888425,0.49171578370228225,0.5444452059488726,0.5335609279692962
EOS-3-24576,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)nn1,GFJQHAINVFHZCF-UHFFFAOYSA-N,3,1,0.348,38,865,422.412,2.699,6,0.421,0.66,1.0,0.07906414913302721,0.06731032828455898,0.13476629429100132,0.1402234253992187,0.10534104927695156
EOS-3-24577,CCn1nc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)nc1Cc1ccoc1,WISPXJQHQTZQQH-UHFFFAOYSA-N,3,1,0.315,50,974,415.417,1.747,5,0.442,0.71,0.817,0.05632753066959084,0.044787882941539306,0.006613665958467549,0.0036152422726338155,0.027836080460557876
EOS-3-24578,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cn1,WCCUJXWQMURAKB-UHFFFAOYSA-N,3,1,0.506,55,69,450.384,3.694,5,0.386,0.68,0.996,0.839541498183812,0.8455640463299294,0.7971523541909397,0.6972962785278597,0.7948885443081352
EOS-3-24579,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)cn1,WVHBLKRNNKAMJS-UHFFFAOYSA-N,3,1,0.494,7,69,446.421,3.863,5,0.387,0.67,1.0,0.7578815708313343,0.645063737920636,0.7221232266465629,0.5765283393872935,0.6753992186964567
EOS-3-24581,Fc1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1-c1cnccn1,BKVWSVFWOPVBFB-UHFFFAOYSA-N,3,1,0.506,37,125,466.839,3.591,5,0.374,0.68,1.0,0.8885100404358851,0.9120176821328216,0.637636214104585,0.7028133781097937,0.7852443286957714
EOS-3-24582,Cc1ncc(-c2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)s2)cn1,FNZKREVHLZKZBD-UHFFFAOYSA-N,3,1,0.295,94,342,450.491,3.532,6,0.397,0.68,0.779,0.05633609759440751,0.08149715578096087,0.06283839353025839,0.09021828524432869,0.07272248303748886
EOS-3-24583,Cc1cccc(COCc2cncc3nnc(-c4ncc(-c5ccnc(F)c5)cn4)n23)n1,JOBUHAVOPZTOSO-UHFFFAOYSA-N,3,1,0.34,85,767,428.431,3.203,5,0.38,0.71,1.0,0.3710849153587828,0.2576416969364677,0.3393958604619286,0.3117846617778082,0.3199767836337468
EOS-3-24584,Cc1ncc(-c2nc(COc3cncc4nnc(-c5ccc(C)c(F)c5)n34)ccc2F)o1,VQZBTNSOHUUDKW-UHFFFAOYSA-N,3,1,0.523,4,92,434.406,4.315,5,0.407,0.72,1.0,0.7343225275854979,0.7180368035090124,0.7041155506819272,0.6249400315262833,0.6953537283256803
EOS-3-24585,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)nn1,YCNLKNVPPDEDBA-UHFFFAOYSA-N,3,1,0.287,39,972,469.419,2.779,6,0.383,0.66,0.285,0.19280720992392572,0.222380234391063,0.19502604345144267,0.30214687135905693,0.22809008978137207
EOS-3-24586,FC(F)c1cc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)ccn1,SEXPUTOQFLEMAI-UHFFFAOYSA-N,3,1,0.542,75,420,446.421,3.597,5,0.374,0.67,1.0,0.8711534507573162,0.6842060174079913,0.6019892399424303,0.4853077239394147,0.6606641080117881
EOS-3-24587,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)c(F)c1,JORYDENYCYIJSN-UHFFFAOYSA-N,3,1,0.329,3,581,468.431,3.384,6,0.387,0.67,1.0,0.17848331163045714,0.30404016174354054,0.42456822698923996,0.5474950311836063,0.363646682886711
EOS-3-24588,COCc1ncc(-c2cnnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cn1,LNRHBFLQSXJOAT-UHFFFAOYSA-N,3,1,0.402,46,511,462.42,3.042,5,0.36,0.67,1.0,0.5398961688712219,0.47222602974436295,0.6019978068672469,0.5507675964635734,0.5412219004866012
EOS-3-24590,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nn1,VSLVPUKWKIJCEG-UHFFFAOYSA-N,3,1,0.479,87,838,448.849,3.452,5,0.389,0.63,1.0,0.7314440408470976,0.7842334315674045,0.5230878623809198,0.5638492906586252,0.6506536563635117
EOS-3-24591,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ncc(Cl)cn5)c4)n23)cc1,VCRANHIFUJCKTD-UHFFFAOYSA-N,3,1,0.603,43,293,446.873,4.928,5,0.381,0.78,1.0,0.9520594887259269,0.9287231855253238,0.8399698444246453,0.8343413748200946,0.8887734733739977
EOS-3-24592,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(CF)n5)n34)cn2)nc1C,HGOQCRASWBWRRB-UHFFFAOYSA-N,3,1,0.426,7,535,443.446,3.099,5,0.39,0.64,1.0,0.5042063600849839,0.45022616681516003,0.1177095469810157,0.08129154958536083,0.2883584058666301
EOS-3-24593,Cn1nnnc1-c1cc(C(F)(F)F)cc(COc2cncc3nnc(-c4cncnc4)n23)n1,APIPGFFHEIKPOU-UHFFFAOYSA-N,3,1,0.436,92,728,455.364,1.765,5,0.386,0.63,1.0,0.39825063395243643,0.4722345966691796,0.5197210609279693,0.4101158248235213,0.45008052909327667
EOS-3-24594,Fc1ccc(-c2nnc3cncc(OCc4ncnc(-c5cncnc5)n4)n23)cc1F,DPCMTUAFVDEADX-UHFFFAOYSA-N,3,1,0.512,73,756,419.355,2.29,5,0.423,0.66,1.0,0.9037505996847371,0.8808169419505174,0.4130799808100884,0.43240696319649097,0.6575136214104584
EOS-3-24597,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4cnc(-c5nccs5)cc4F)n23)nc1,FDQUJLHVLASQCI-UHFFFAOYSA-N,3,1,0.343,33,776,464.461,3.21,5,0.411,0.6,1.0,0.1784918785552738,0.1762559111781235,0.212553971626345,0.1984785141525598,0.19144506887807552
EOS-3-24598,N#Cc1cc(-c2cc(F)ccn2)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,BFIVQTLIEPFIAY-UHFFFAOYSA-N,3,1,0.478,4,799,458.844,3.886,5,0.389,0.65,1.0,0.7128709478445617,0.7318723870879309,0.8015471866218902,0.8263655678157769,0.7681640223425399
EOS-3-24599,Fc1cccc2nc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)ccc12,YTMUBWTZPJGWRQ-UHFFFAOYSA-N,3,1,0.301,32,20,419.423,4.603,6,0.417,0.81,0.987,0.2423069015146323,0.4281406346377904,0.7499828661503667,0.7990970461243232,0.5548818621067781
EOS-3-24600,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)cn5)cnn4)n23)c(F)c1,OJZAPGNGYLQAND-UHFFFAOYSA-N,3,1,0.461,73,82,448.849,3.718,5,0.4,0.67,1.0,0.707088273593311,0.8421715441025289,0.519729627852786,0.5575011993694743,0.656622661229525
EOS-3-24601,CC(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cc4F)n23)cn1,BSYKXQVWUYXXHM-UHFFFAOYSA-N,3,1,0.366,61,336,417.408,2.236,5,0.473,0.64,0.995,0.27662600233020357,0.33322767459392777,0.39188540881365225,0.33040915632924406,0.33303706051675697
EOS-3-24602,Cc1nc(-c2ccc(F)cc2F)c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4C)n23)s1,NYLTUXHLPDQBHG-UHFFFAOYSA-N,3,1,0.356,96,46,462.485,4.576,5,0.422,0.71,0.992,0.13986361455691865,0.34335377972722914,0.5734442464532932,0.5507761633883901,0.40185945103145776
EOS-3-24603,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6F)nn5)n34)cc2)n1,NVVNBBMRXPAMTK-UHFFFAOYSA-N,3,1,0.296,38,620,450.441,3.339,6,0.376,0.66,1.0,0.007470358440134329,0.12308957576588307,0.34297683503529575,0.35930539373586456,0.20821054074429443
EOS-3-24604,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)nc1,ZZONLRCJPYZPLK-UHFFFAOYSA-N,3,1,0.404,54,511,432.394,3.204,5,0.39,0.65,1.0,0.6230210403673497,0.4853933931875814,0.6229953395928998,0.5670704543896923,0.5746200568843808
EOS-3-24605,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)c(CCOC)n4)n23)nc1,AMYCBWTYCXUMML-UHFFFAOYSA-N,3,1,0.362,63,806,468.905,2.147,4,0.392,0.61,0.986,0.2339798505928312,0.08819649098759509,0.02959015831677061,0.017990542115002398,0.09243926050304982
EOS-3-24606,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)cn1,WVKAQHPPFPETAT-UHFFFAOYSA-N,3,1,0.321,42,620,425.387,3.228,6,0.396,0.69,1.0,0.03634946199712151,0.15216571859365363,0.4884689191967651,0.5042834624083339,0.29531689054896854
EOS-3-24607,Fc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)n2)c1,REWCUJPHNVILLE-UHFFFAOYSA-N,3,1,0.301,10,871,453.416,3.774,6,0.375,0.67,0.559,0.02763689945857035,0.1889178260571585,0.5987338085120965,0.6626944691933384,0.36949575080529096
EOS-3-24608,FCc1cc(-c2cc(-c3nnc4cncc(Cc5ccc(Cl)cc5)n34)ccn2)ccn1,YQNLXVBDFMFZIK-UHFFFAOYSA-N,3,1,0.394,14,358,430.874,4.962,5,0.394,0.8,1.0,0.42509937632787337,0.42378863683092316,0.830177849359194,0.8581145911863477,0.6342951134260846
EOS-3-24609,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cn(C)nn5)c4)n23)cc1F,SILREPWEYQMYFO-UHFFFAOYSA-N,3,1,0.512,43,250,415.432,3.613,5,0.436,0.79,1.0,0.5693064217668425,0.5266945377287369,0.6747824001096566,0.6103077239394147,0.5952727708861627
EOS-3-24610,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cncs5)n34)c2)nc1,FJNOSPLOKIVCIS-UHFFFAOYSA-N,3,1,0.483,18,949,420.433,2.86,5,0.413,0.72,1.0,0.6614522650949215,0.5129017887739017,0.15599513398670414,0.1684857103694058,0.3747087245562333
EOS-3-24611,Cn1cnnc1-c1cc(F)cc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,FTWXCFTVYLJQQS-UHFFFAOYSA-N,3,1,0.524,20,658,417.408,2.137,5,0.413,0.71,1.0,0.5322202042354877,0.4193766705503392,0.1881810705229251,0.1957113974367761,0.333872335686382
EOS-3-24612,CCn1cncc1-c1cc(-c2nnc3cncc(Oc4ncccc4Cl)n23)ccc1F,BAHUXAKBYKEZJA-UHFFFAOYSA-N,3,1,0.391,26,125,435.85,4.655,5,0.399,0.76,1.0,0.6946747995339593,0.7040127475841272,0.7041241176067439,0.7000890960180933,0.700725190185731
EOS-3-24613,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2F)n1,FZKQPDBBUVUVMS-UHFFFAOYSA-N,3,1,0.446,73,610,449.837,3.113,5,0.373,0.66,1.0,0.8010931396066068,0.8205143581659927,0.3062075937221575,0.3497190048660133,0.5693835240901927
EOS-3-24614,CCc1ncc(-c2nnc3cncc(Oc4ccc(-c5cnc(C)nn5)cc4F)n23)cc1C,KHYAZSYCEDOYCA-UHFFFAOYSA-N,3,1,0.396,92,374,442.458,4.149,5,0.4,0.72,1.0,0.6146597217462819,0.6214275923514495,0.34683195120279625,0.27506682201357,0.4644965218285244
EOS-3-24615,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)c(F)c2)n1,AEBHZNRIFNDEOY-UHFFFAOYSA-N,3,1,0.477,16,772,436.838,3.353,5,0.39,0.68,1.0,0.7098896580083613,0.6842145843328079,0.620048317455966,0.5859176889863614,0.6500175621958743
EOS-3-24616,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)cc2F)c1,UFAAZFMCDHJCGV-UHFFFAOYSA-N,3,1,0.512,16,772,436.838,3.353,5,0.39,0.68,1.0,0.8920310465355356,0.7586868617641012,0.6469056267562195,0.6103162908642313,0.7269849564800219
EOS-3-24617,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncncn5)c(Cl)c4)n23)ccn1,SEMMWIJPORFAIM-UHFFFAOYSA-N,3,1,0.53,16,55,434.822,3.41,5,0.387,0.66,1.0,0.9575337536837777,0.9099530532520047,0.7041326845315605,0.7028219450346104,0.8186103591254883
EOS-3-24618,Fc1ncccc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cnn1,ATLAWNLUPAZUEG-UHFFFAOYSA-N,3,1,0.5,4,31,434.822,3.41,5,0.387,0.66,1.0,0.5451476937838393,0.6501953258858201,0.5667620450962922,0.610324857789048,0.59310748063875
EOS-3-24619,CCc1c(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nnn1-c1cccnc1,JLMHXLRFQFHCGU-UHFFFAOYSA-N,3,1,0.284,98,882,449.482,2.792,6,0.394,0.65,1.0,0.005499965732300733,0.016251456377218833,0.03577547803440477,0.046389897882256184,0.02597919950654513
EOS-3-24620,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cc1F,JYKCRQRUVIAHNG-UHFFFAOYSA-N,3,1,0.333,30,498,449.453,3.85,6,0.403,0.63,1.0,0.17850044548009047,0.24281235007881571,0.4778630662737304,0.537523130697005,0.3591747481324104
EOS-3-24621,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)n5)n34)cn2)n1C,AQKQMWXXYMEZLK-UHFFFAOYSA-N,3,1,0.299,10,968,452.457,3.282,6,0.404,0.6,0.999,0.06686484819409225,0.1978359947913097,0.25167055033925023,0.2692755808375026,0.1964117435405387
EOS-3-24622,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(Cl)ccc5F)cn4)n23)cc1,WYPWVHOQQJARNM-UHFFFAOYSA-N,3,1,0.543,59,210,446.873,4.928,5,0.381,0.8,1.0,0.9368960318004249,0.95017476526626,0.8416575286135289,0.8531115070934138,0.8954599581934068
EOS-3-24623,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnnn4-c4ccc(F)nc4)n23)c1,WVXSBZKGKNHGMZ-UHFFFAOYSA-N,3,1,0.245,39,527,451.429,2.734,6,0.372,0.64,0.945,0.008652594064834486,0.07104550750462614,0.11771811390583237,0.20465526694537728,0.10051787060516756
EOS-3-24624,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncc(C)n6)ncn5)n34)cc2)nn1,XTYVQMKVVANOFM-UHFFFAOYSA-N,3,1,0.301,38,193,458.489,3.779,6,0.388,0.66,1.0,0.14837913782468645,0.06365225138784182,0.26579740936193547,0.23085292303474744,0.1771704304023028
EOS-3-24625,Cc1cc(-c2nnc3cncc(OCc4cc(C)n(C)n4)n23)cc(-c2cncc(F)c2)n1,OAMDWMSFJKIUFN-UHFFFAOYSA-N,3,1,0.478,92,677,430.447,3.317,5,0.422,0.65,1.0,0.3666129806044822,0.3481255568501131,0.32831025974916045,0.2512679048728668,0.32357917551915566
EOS-3-24626,Cc1nc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCc3cc(F)c(Cl)cn3)n12,UWLZYNVBDLHCJL-UHFFFAOYSA-N,3,1,0.472,92,469,450.865,3.662,5,0.403,0.67,1.0,0.42510794325269,0.522076965252553,0.5700603111507093,0.5274998286615037,0.511186262079364
EOS-3-24627,COC1(CNC(=O)c2ccc(-c3nnc4cncc(-c5nc(C)cc(C)n5)n34)cc2F)CCCC1,IMMYJIVUXGXDOB-UHFFFAOYSA-N,3,1,0.321,63,792,475.528,3.693,5,0.453,0.74,0.983,0.2986515660338565,0.21203995613734494,0.016808306490302242,0.07400109656637653,0.15037523130697006
EOS-3-24628,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)nc5)cn4)n23)cn1,SVKMAISNRBDKPS-UHFFFAOYSA-N,3,1,0.321,86,443,450.441,3.245,6,0.376,0.67,1.0,0.1815845384140909,0.2681961483106024,0.39933006647933655,0.3819906106504009,0.3077753409636077
EOS-3-24629,Cn1ncc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)c1-c1ccccc1,NYOJGHUDHCYVIX-UHFFFAOYSA-N,3,1,0.299,64,365,431.463,3.711,6,0.419,0.65,0.671,0.014640874511685286,0.008763964087451169,0.162420327599205,0.2279144678226304,0.10343490850524295
EOS-3-24630,Cn1ncc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)c1-c1ccccc1,UMVDXAPOIXFJFH-UHFFFAOYSA-N,3,1,0.297,30,498,431.463,3.711,6,0.419,0.65,1.0,0.017270920430402303,0.005585634980467411,0.18497704064149134,0.2900846412171887,0.12447955931738744
EOS-3-24631,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)nc2)nn1,FLFKFIUWZHNHSN-UHFFFAOYSA-N,3,1,0.297,38,787,421.424,3.304,6,0.426,0.67,1.0,0.0729473648139264,0.048351723665273114,0.32112260982797614,0.3055822082105407,0.1870009766294291
EOS-3-24632,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2)cc1=O,PWYJZVGQJAOFMA-UHFFFAOYSA-N,3,1,0.541,43,178,462.872,3.924,5,0.393,0.68,1.0,0.7755208690288534,0.7133506956342951,0.8301864162840107,0.8282417243506272,0.7868249263244466
EOS-3-24633,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)cc2)n1C,XPZLATSNTAFSQG-UHFFFAOYSA-N,3,1,0.506,16,19,432.875,3.523,5,0.392,0.67,1.0,0.737158179699815,0.6120639435268316,0.41308854773490505,0.34004694674799535,0.5255894044273868
EOS-3-24634,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(C#N)c6)c5)n34)cn2)c1,ASDACIGRISMZSD-UHFFFAOYSA-N,3,1,0.297,30,668,465.48,4.449,6,0.377,0.76,1.0,0.02423583030635323,0.11957713659104928,0.8544650812144473,0.854627852785964,0.4632264752244535
EOS-3-24635,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)c2)cn1,IUMFTRFDXLLQCB-UHFFFAOYSA-N,3,1,0.477,2,969,449.396,3.948,5,0.375,0.7,1.0,0.8903262284970187,0.8888098828044685,0.8987903502158865,0.8513381536563636,0.8823161537934343
EOS-3-24636,COc1ncc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(Br)c(F)c3)n12,CRRMOIVDPUEQDC-UHFFFAOYSA-N,3,1,0.383,22,649,482.277,2.954,5,0.385,0.83,1.0,0.37109348228359945,0.4995288191350833,0.2953961346035227,0.3178329106983757,0.3709628366801453
EOS-3-24637,Cn1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)n1,VVVKMQXPLSOTLZ-UHFFFAOYSA-N,3,1,0.461,89,310,412.413,2.478,5,0.47,0.76,1.0,0.4528390788842437,0.1637482009457885,0.29540470152833936,0.1579141251456377,0.26747652662600235
EOS-3-24638,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5c(C)nn(C)c5C)ccc4Cl)n23)nc1,JSNLXZYGKIIVEP-UHFFFAOYSA-N,3,1,0.372,85,81,443.942,4.756,5,0.4,0.77,0.999,0.12075080529093277,0.2025820711397437,0.4245767939140566,0.4068089918442876,0.28867966554725516
EOS-3-24641,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)c6)cc5)n34)cn2)n1,YQLOFSMNOHECFF-UHFFFAOYSA-N,3,1,0.326,25,725,466.896,3.759,6,0.361,0.73,1.0,0.14530361181550272,0.2887739017202385,0.36202967582756496,0.4545096292234939,0.3126542046467
EOS-3-24642,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccnc(C)n5)c(C)n4)n23)n1,WAFDRXRRBMNRRB-UHFFFAOYSA-N,3,1,0.415,4,122,424.468,3.543,5,0.422,0.71,1.0,0.3483140291960798,0.20259063806456035,0.1720238503186896,0.09212014255362895,0.20376216503323968
EOS-3-24643,Cn1ccnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,GOWPCNKUUIUUDL-UHFFFAOYSA-N,3,1,0.409,56,428,465.481,2.356,6,0.364,0.66,1.0,0.41798882873003906,0.2120485230621616,0.06083373312315811,0.04124117606743883,0.1830280652456994
EOS-3-24644,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)ncn1,HTPYHTCTQKGCFJ-UHFFFAOYSA-N,3,1,0.522,75,819,444.886,3.622,5,0.391,0.64,1.0,0.7697895963265027,0.6939551778493592,0.36939723116989925,0.3558357891851141,0.5472444486327188
EOS-3-24645,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cn1,UULCPGTYNQIJEO-UHFFFAOYSA-N,3,1,0.435,7,535,436.386,2.288,5,0.394,0.62,1.0,0.4251165101775067,0.39555205263518606,0.26943835240901925,0.19318415461585908,0.32082276745939275
EOS-3-24646,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2C)s1,CWLGTYHKTCIKLT-UHFFFAOYSA-N,3,1,0.512,20,658,430.497,3.338,5,0.404,0.68,1.0,0.40244842711260365,0.3241210335138099,0.07966383387019396,0.06324103899664177,0.2173685833733123
EOS-3-24647,COc1cc(-c2nnc3cncc(OCc4nnc(-c5ccon5)s4)n23)ccc1Cl,FFAFQSATMNAOOU-UHFFFAOYSA-N,3,1,0.494,4,67,441.86,3.539,5,0.39,0.72,1.0,0.5579381125351244,0.6892862038242752,0.16881125351243917,0.20466383387019396,0.4051748509355082
EOS-3-24648,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)c2)nn1,QKAHBYSKRDFNAY-UHFFFAOYSA-N,3,1,0.307,98,42,423.4,2.094,6,0.414,0.67,1.0,0.061553354807758205,0.04112980604482215,0.12049379754643273,0.12504283462408333,0.0870549482557741
EOS-3-24649,Fc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nn5)n34)n2)c1,XGMAOWIOQSXRNB-UHFFFAOYSA-N,3,1,0.301,10,887,436.414,3.03,6,0.414,0.59,0.968,0.010665821396751422,0.1267562195874169,0.2731906654787198,0.3659875950928655,0.19415007538893841
EOS-3-24650,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5F)nn4)n23)cc1,UOGBHSKERQHZEF-UHFFFAOYSA-N,3,1,0.329,98,39,472.875,3.627,6,0.386,0.7,1.0,0.02642039613460352,0.2783993557672538,0.48154684394489755,0.5952042354876294,0.34539270783359605
EOS-3-24651,COc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ncn(C)n1,MLTQVKQJSFUEMR-UHFFFAOYSA-N,3,1,0.465,31,456,429.444,2.007,5,0.383,0.67,0.993,0.3292440545541772,0.08495819340689466,0.0587862380919745,0.02932458364745391,0.12557826742512507
EOS-3-24652,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4ccc(F)c(-c5ncccn5)n4)n23)cn1,WSDVRWOMRVRENW-UHFFFAOYSA-N,3,1,0.408,32,557,465.427,4.046,6,0.384,0.69,1.0,0.30632753066959084,0.41938523747515594,0.4570968405181276,0.5345332739359879,0.4293357206497156
EOS-3-24653,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccco6)cn5)n34)cn2)n1,MTZGZGJRZDBYGJ-UHFFFAOYSA-N,3,1,0.308,32,392,436.41,4.104,6,0.38,0.69,1.0,0.3037574532245905,0.2942224659036392,0.4537900075388938,0.48218079638133093,0.38348768076211365
EOS-3-24654,COc1ncc(-c2nnc3cncc(OCc4nc(-c5ccc(F)nc5)ns4)n23)cn1,XNFKHZOCEFBLAV-UHFFFAOYSA-N,3,1,0.413,7,85,437.42,2.222,5,0.365,0.68,1.0,0.42743814680282366,0.47678363374683025,0.053183469261873756,0.0412497429922555,0.2496637482009458
EOS-3-24655,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cn(C)nn6)no5)n34)cc2)nn1,SBIXYVVILFRLAR-UHFFFAOYSA-N,3,1,0.506,71,833,455.442,1.949,6,0.366,0.68,1.0,0.3413062846960455,0.23231786717839764,0.07534610376259337,0.05580494825577411,0.17619380097320264
EOS-3-24656,CCn1cncc1-c1ccc(F)c(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,DBXGXNINMJKSFV-UHFFFAOYSA-N,3,1,0.419,51,196,450.865,3.836,5,0.388,0.69,1.0,0.6146682886710986,0.5977743129326297,0.4884774861215818,0.497369954081283,0.5495725104516482
EOS-3-24657,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5Cl)n4)n23)cc1,ZAMHDSAKYLQHEY-UHFFFAOYSA-N,3,1,0.31,3,289,453.897,4.093,6,0.399,0.68,1.0,0.061561921732574874,0.1844801590021246,0.3808769104242341,0.47608971283668017,0.27575217599890345
EOS-3-24658,Cc1ncc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ccn4)n23)s1,OXEVZDNWLNIBDD-UHFFFAOYSA-N,3,1,0.43,18,88,450.915,3.683,5,0.386,0.71,1.0,0.49914330751833325,0.4899852648893153,0.1438129668974025,0.17647865122335687,0.327355047632102
EOS-3-24659,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cccc(C(F)F)c4)n23)nc1,NTNUBOSWDJVHHL-UHFFFAOYSA-N,3,1,0.368,66,505,408.412,3.269,4,0.529,0.85,0.822,0.20652285655541086,0.18448872592694127,0.652439860187787,0.5444537728736892,0.39697630388595706
EOS-3-24660,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCc4cccc(C#N)n4)n23)c1,ARPNEIFJEJDVTP-UHFFFAOYSA-N,3,1,0.366,53,643,424.428,2.31,5,0.402,0.66,0.694,0.23693543965458158,0.12993454869440066,0.20181961483106023,0.155095606880954,0.18094630251524912
EOS-3-24661,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cncc(-c4ccc(Cl)nn4)c3)n12,NYCGRMGKMLLHAG-UHFFFAOYSA-N,3,1,0.371,45,46,438.253,4.756,5,0.404,0.73,1.0,0.33165992735247757,0.6356058529230347,0.887019395517785,0.9385151805907751,0.698200089096018
EOS-3-24662,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnco5)n4)n23)cc1,BIHDGRVOLFSZDC-UHFFFAOYSA-N,3,1,0.338,38,865,421.424,3.304,6,0.426,0.65,1.0,0.19537728736892604,0.05965149749845795,0.21578370228222876,0.2104807758207114,0.17032331574258103
EOS-3-24663,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)cc2F)n1,QUMXNRIFJPMTDJ-UHFFFAOYSA-N,3,1,0.46,36,610,418.396,1.798,5,0.42,0.69,1.0,0.5191556438900692,0.4948341443355493,0.08687718456582826,0.07000890960180933,0.29271897059831403
EOS-3-24664,COc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)nc2)c(F)cn1,UJXCCFMDQBOVNC-UHFFFAOYSA-N,3,1,0.517,16,943,454.425,3.242,5,0.38,0.68,1.0,0.8989873894866699,0.9139538071413885,0.6747909670344733,0.5638578575834419,0.7628975053114935
EOS-3-24665,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)cn1,XDHCDABNQIKDHS-UHFFFAOYSA-N,3,1,0.542,4,32,438.875,4.681,5,0.396,0.76,1.0,0.9389263929819752,0.9563258172846275,0.7140788842437119,0.7638527174285519,0.8432959529847166
EOS-3-24666,Cc1nc(-c2nnc3cncc(COc4ccc(Cl)nn4)n23)ccc1-c1cnccn1,IOAWUHBSRPSEAI-UHFFFAOYSA-N,3,1,0.313,85,920,431.847,2.974,5,0.413,0.62,1.0,0.46674319786169555,0.4327496401891577,0.18161880611335754,0.18754711808649166,0.3171646905626756
EOS-3-24667,Cc1nc(-c2cncn2C)cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)n1,KEABKYREZUCMBL-UHFFFAOYSA-N,3,1,0.343,31,330,434.851,2.313,5,0.383,0.65,1.0,0.35053286272359674,0.29903707765060655,0.06890377630045919,0.070017476526626,0.19712279830032212
EOS-3-24668,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cc1,BYOBMHLGQJNASL-UHFFFAOYSA-N,3,1,0.358,86,42,421.428,2.229,6,0.425,0.66,1.0,0.005508532657117401,0.01482077993283531,0.12338085120964978,0.13138235898841752,0.068773130697005
EOS-3-24669,Fc1cnc(CCOc2cncc3nnc(-c4cncc(-c5cc(F)ccn5)c4)n23)nc1,WAXICUQKWFLPAN-UHFFFAOYSA-N,3,1,0.444,2,795,432.394,2.938,5,0.403,0.62,1.0,0.7314526077719142,0.6450723048454526,0.4279521622918237,0.46381330957439515,0.5670725961208964
EOS-3-24670,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)no1,XNYWYVKNGJYTQQ-UHFFFAOYSA-N,3,1,0.447,20,822,435.835,2.61,5,0.392,0.69,1.0,0.5116938523747515,0.5084726886436844,0.07535467068741004,0.09609519566856281,0.29790410184360216
EOS-3-24671,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5ccccc5)cn4)n23)ccc1Cl,HYMDBSAOIISOOP-UHFFFAOYSA-N,3,1,0.519,1,210,428.883,4.789,5,0.4,0.81,1.0,0.8321054074429443,0.9079226920704544,0.7014255362894936,0.7298248920567473,0.7928196319649099
EOS-3-24672,FC(F)c1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)ccn1,IYNDAUUOYHBMMI-UHFFFAOYSA-N,3,1,0.46,55,540,432.394,3.555,5,0.401,0.65,1.0,0.7755294359536701,0.7086731546843945,0.727306216160647,0.6040024672743473,0.7038778185182647
EOS-3-24673,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)cn2)n1,AYONJCQAYMZUJK-UHFFFAOYSA-N,3,1,0.282,99,286,437.431,1.234,6,0.395,0.62,0.999,0.07907271605784387,0.04113837296963882,0.016816873415118908,0.013510040435885134,0.03763450071962168
EOS-3-24674,Fc1ncccc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)n1,GGGLEBJMWMWFTM-UHFFFAOYSA-N,3,1,0.34,32,977,447.437,3.906,6,0.375,0.67,1.0,0.2795130559934206,0.34813412377492975,0.4394061407717086,0.46382187649921186,0.3827187992598177
EOS-3-24675,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccsc5)c4)n23)cc1Cl,BORRUYXANODVDX-UHFFFAOYSA-N,3,1,0.337,62,648,445.935,5.2,5,0.412,0.8,1.0,0.2609228291412515,0.23739805359468166,0.7663114248509355,0.7830683297923378,0.5119251593448015
EOS-3-24676,Clc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)n2)cnn1,AVKQZTCXUOAIES-UHFFFAOYSA-N,3,1,0.31,38,787,451.881,4.354,6,0.424,0.7,0.993,0.15677472414502092,0.23740662051949832,0.5467582756493728,0.6040110341991639,0.386237663628264
EOS-3-24677,CCc1nc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1cnc(C)nc1,WYCQFKVVLHSFTJ-UHFFFAOYSA-N,3,1,0.351,31,662,441.499,3.135,5,0.395,0.66,0.898,0.20653142348022754,0.11958570351586595,0.06891234322527585,0.027474127887053664,0.10562589952710576
EOS-3-24678,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4cccc(-c5ccccc5)c4)n23)cnn1,OCTNJPRJPFQKNF-UHFFFAOYSA-N,3,1,0.351,30,774,431.463,3.711,6,0.419,0.66,1.0,0.09997601261051332,0.034653210883421284,0.31361798368857513,0.40360496196285384,0.2129630422863409
EOS-3-24679,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncc4Cl)n23)cc1,WMBDHVWXMLXIPL-UHFFFAOYSA-N,3,1,0.628,59,817,450.289,4.529,5,0.389,0.71,1.0,0.9170550339250223,0.9511599616201768,0.8335960523610445,0.8726783633746831,0.8936223528202316
EOS-3-24680,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(C)nn5)c4)n23)c(F)c1,XWVSTUJKABHJEO-UHFFFAOYSA-N,3,1,0.549,43,146,445.433,4.117,5,0.402,0.68,1.0,0.8011017065314234,0.8386505380028785,0.7064800219313275,0.6742341169213899,0.7551165958467547
EOS-3-24681,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)ccn1,VZVBKOLZXNNCIX-UHFFFAOYSA-N,3,1,0.416,51,196,434.822,3.41,5,0.387,0.64,1.0,0.6520971831951203,0.7673737235282023,0.5230964293057364,0.5540744294428072,0.6241604413679666
EOS-3-24682,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)ccn1,GRSIOGVCLLWRKP-UHFFFAOYSA-N,3,1,0.396,46,565,434.822,3.41,5,0.387,0.64,1.0,0.6579997943938044,0.6072150640805977,0.6611781235007882,0.6713984648070729,0.6494478616955658
EOS-3-24683,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)c2)nn1,KVJWVCIPMPJQKD-UHFFFAOYSA-N,3,1,0.273,86,719,434.427,1.896,6,0.404,0.61,0.96,0.02764546638338702,0.01940408470975259,0.10389109725173051,0.10868000822424782,0.06490516414227948
EOS-3-24684,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)c2)nn1C,BDFJZYKAMDDKGA-UHFFFAOYSA-N,3,1,0.57,15,931,447.89,2.96,5,0.365,0.68,1.0,0.542577616338839,0.5129103556987183,0.10126961825783017,0.09815982454937976,0.3137293537111918
EOS-3-24685,Cc1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)nn2)nn1,OKTOIZRJUAUNJZ-UHFFFAOYSA-N,3,1,0.304,39,972,451.429,2.734,6,0.398,0.61,1.0,0.007478925364950997,0.09116064697416215,0.11772668083064904,0.19319272154067577,0.10238974367760949
EOS-3-24686,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)cn2)cn1,AAYCTHDCKJPRQA-UHFFFAOYSA-N,3,1,0.346,3,150,452.909,4.698,6,0.387,0.76,1.0,0.018076211363169076,0.21703447330546227,0.7400280995133987,0.7876345007196217,0.44069332122541294
EOS-3-24687,CC(C)(NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)cc4)n23)cc1)c1nccs1,ROBDBWOLBKRFID-UHFFFAOYSA-N,3,1,0.439,62,319,472.549,4.643,5,0.389,0.84,1.0,0.2636214104585018,0.2323264341032143,0.48848605304639847,0.33687718456582827,0.3303277705434857
EOS-3-24688,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(-c3cn(-c4ccccn4)nn3)n12,CZQNTOOKUFSJDQ-UHFFFAOYSA-N,3,1,0.454,22,121,424.346,3.175,5,0.428,0.67,0.998,0.07101980673017613,0.4548351723665273,0.7707490919059694,0.7808837639640874,0.5193719587416901
EOS-3-24689,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cncc(F)c4F)n23)cc1,ZWFRKTIXNLZGSO-UHFFFAOYSA-N,3,1,0.414,63,9,406.396,2.948,5,0.551,0.87,0.999,0.284995887876088,0.21704304023027893,0.4710694948941128,0.5540829963676239,0.3817978548420259
EOS-3-24690,Cc1cccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,BPYWASISJLHUIS-UHFFFAOYSA-N,3,1,0.309,38,983,442.486,4.681,6,0.391,0.75,1.0,0.12631073949695018,0.12309814269069974,0.4743506270988966,0.43837810979370845,0.29053440477006376
EOS-3-24691,Fc1ccccc1-c1ccnc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,PLLHVMGRVMGKNE-UHFFFAOYSA-N,3,1,0.429,46,160,433.834,4.015,5,0.413,0.67,1.0,0.5774878349667604,0.6400520869028853,0.6880354328010417,0.7484579535329998,0.6635083270509218
EOS-3-24692,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)nn1C,YMHVZDUQJVQDOD-UHFFFAOYSA-N,3,1,0.431,89,463,482.508,2.156,6,0.37,0.83,0.998,0.27403022411075323,0.12994311561921731,0.014084024398601878,0.010186073607018025,0.1070608594338976
EOS-3-24693,c1cnc(-c2ccncn2)c(-c2nnc3cncc(-c4cnc(-c5cnccn5)nn4)n23)c1,OHNKJXKPHVXSNU-UHFFFAOYSA-N,3,1,0.269,86,513,432.411,1.952,6,0.402,0.6,0.997,0.12075937221574944,0.07455794667945995,0.053192036186690425,0.0740096634911932,0.08062975464327325
EOS-3-24694,Cc1ncc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c(OC2CCOCC2F)n1,SZSSJQKYCQLIDJ-UHFFFAOYSA-N,3,1,0.339,63,792,467.436,2.301,5,0.473,0.57,1.0,0.2529812898362004,0.18449729285175792,0.3772274004523336,0.3335703515865945,0.28706908368172157
EOS-3-24695,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccnc(F)c5)n4)n23)cc1,RCDBQDGUSSOVNK-UHFFFAOYSA-N,3,1,0.314,8,973,440.406,1.764,6,0.376,0.61,1.0,0.015454732369268727,0.13701082859296826,0.07536323761222671,0.10439654581591391,0.0830563360975944
EOS-3-24696,COc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1ncc(C)cn1,GVGAVERTVQUDNW-UHFFFAOYSA-N,3,1,0.484,4,224,460.885,3.588,5,0.375,0.7,1.0,0.6286323761222672,0.6214361592762662,0.3283188266739771,0.2544462339798506,0.45820839901309024
EOS-3-24697,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cnc(F)cn5)n34)c2)cc1C,JWPUFRIRISQYLL-UHFFFAOYSA-N,3,1,0.411,2,858,428.431,3.373,5,0.42,0.68,1.0,0.5167140703173189,0.49953738605989995,0.45710540744294426,0.34637790418751285,0.4549336920019189
EOS-3-24698,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5sccc5C)n34)ccn2)c(C)n1,XVXXJMGHSJGELB-UHFFFAOYSA-N,3,1,0.451,7,567,429.509,4.209,5,0.413,0.72,1.0,0.4024569940374203,0.3332362415187444,0.21256253855116167,0.12909499006236722,0.2693376910424234
EOS-3-24699,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)o1,BOMNCCXAEXNTPL-UHFFFAOYSA-N,3,1,0.478,87,838,434.847,3.215,5,0.397,0.66,1.0,0.5167226372421355,0.5220855321773696,0.22641525597971351,0.22792303474744705,0.3732866150366664
EOS-3-24701,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cncc(CO)n5)n34)c2)s1,ALAIANCIGSOHKB-UHFFFAOYSA-N,3,1,0.436,4,506,432.469,2.48,5,0.431,0.65,1.0,0.29866013295867316,0.2942310328284559,0.08941299431156192,0.06834692618737578,0.1876627715715167
EOS-3-24702,Cc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(C#N)c5)n34)c2)nn1,PEUGVSQNHJWMKC-UHFFFAOYSA-N,3,1,0.589,91,628,451.465,4.189,5,0.381,0.72,1.0,0.9157956959769721,0.9287317524501405,0.8052737989171407,0.7484665204578165,0.8495669419505174
EOS-3-24703,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)n1,HHUUSGMOYBHMGQ-UHFFFAOYSA-N,3,1,0.441,18,367,434.912,4.585,5,0.364,0.8,1.0,0.52468131039682,0.5541086971420739,0.48504214927009803,0.557509766294291,0.5303354807758207
EOS-3-24704,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(C)nn5)n34)c2)cnn1,NTCGXQFDXCKZJB-UHFFFAOYSA-N,3,1,0.446,87,838,425.456,2.672,5,0.405,0.64,1.0,0.44580563360975944,0.3194006579398259,0.1409430470838188,0.10644404084709752,0.25314834487012544
EOS-3-24705,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4ccncc4)ccn3)n12,VUUOGEORAUTAJH-UHFFFAOYSA-N,3,1,0.483,18,840,447.861,4.057,5,0.387,0.67,1.0,0.7159893084778288,0.6842231512576246,0.7400366664382153,0.7688986361455692,0.7272869405798095
EOS-3-24706,Fc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)c1,NHZGKPZVDHDYKW-UHFFFAOYSA-N,3,1,0.5,2,419,431.406,3.543,5,0.406,0.66,1.0,0.7697981632513193,0.7364642587896648,0.7167174970872455,0.7298334589815639,0.7382033445274484
EOS-3-24707,Fc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)cc1F,HSXNPSQLECQTFY-UHFFFAOYSA-N,3,1,0.534,24,583,431.406,3.543,5,0.406,0.64,1.0,0.8193578233157426,0.7225944075114796,0.6376447810294017,0.622164347885683,0.7004403399355768
EOS-3-24708,Fc1cccc(CCOc2cncc3nnc(-c4cnnc(-c5cncc(F)c5)c4)n23)c1,KTXJYMAJRFKSDJ-UHFFFAOYSA-N,3,1,0.586,84,73,431.406,3.543,5,0.406,0.64,1.0,0.829638133095744,0.7544805016791173,0.740045233363032,0.7612398053594681,0.7713509183743403
EOS-3-24709,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nn1,DVBACMIBWULLSF-UHFFFAOYSA-N,3,1,0.483,27,69,432.394,3.555,5,0.401,0.64,1.0,0.595007196216846,0.6120725104516482,0.6345007196216846,0.547503598108423,0.5972710060996504
EOS-3-24710,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)c(Cl)cn2)nn1,IXKOOKXOKOZYKW-UHFFFAOYSA-N,3,1,0.473,58,778,462.876,3.761,5,0.375,0.68,0.996,0.740199438009732,0.8167020766225755,0.512739017202385,0.5409584675484888,0.6526497498457953
EOS-3-24711,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)nc2)cn1,GQFLLUHCCLDBOC-UHFFFAOYSA-N,3,1,0.452,18,904,448.849,3.452,5,0.389,0.62,1.0,0.8166935096977589,0.8489736824069632,0.5631468028236584,0.5889418134466452,0.7044389520937564
EOS-3-24712,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)n1,YDOIREUQMGGMFJ-UHFFFAOYSA-N,3,1,0.489,36,208,438.814,2.143,5,0.406,0.61,1.0,0.5117024192995683,0.640060653827702,0.19145363580289218,0.25445480090466727,0.39941787745870744
EOS-3-24713,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ncn2)cc1,SRQRGSWSYDQJAJ-UHFFFAOYSA-N,3,1,0.446,44,130,450.289,4.529,5,0.364,0.77,1.0,0.5273027893907203,0.6502038928106367,0.6909053526146255,0.785304297169488,0.6634290829963676
EOS-3-24714,Cc1ccccc1-c1nncc(-c2cncc3nnc(-c4cncnc4-c4cccnc4)n23)n1,BXZAJVVNDIJUMG-UHFFFAOYSA-N,3,1,0.278,94,515,444.462,3.471,6,0.402,0.62,0.994,0.1373706394352683,0.07456651360427662,0.2018281817558769,0.23969398944554862,0.1633648310602426
EOS-3-24715,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1F,RVPAKGCQOJSRHD-UHFFFAOYSA-N,3,1,0.489,37,125,468.855,3.535,5,0.376,0.7,1.0,0.7611455691864848,0.7716143513124529,0.6469141936810363,0.680213830443424,0.7149719861558496
EOS-3-24716,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cc1)N1CCOCC1,ZNOUOMQWKUKGGG-UHFFFAOYSA-N,3,1,0.438,52,376,481.491,3.527,6,0.362,0.84,1.0,0.061570488657391544,0.034661777808237954,0.08460694948941128,0.19571996436159275,0.09413979507915837
EOS-3-24717,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)ncn2)o1,DGYYVFNMUMEKFK-UHFFFAOYSA-N,3,1,0.467,7,205,429.4,1.618,5,0.42,0.61,1.0,0.3460266602700295,0.17172400795010623,0.06475738468919197,0.023756082516619835,0.1515660338564869
EOS-3-24718,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)cc1,WJNXSRSMQVLABF-UHFFFAOYSA-N,3,1,0.423,63,568,406.837,2.113,5,0.54,0.86,1.0,0.2120999246110616,0.16375676787060517,0.038482626276471796,0.08824789253649509,0.12564680282365842
EOS-3-24719,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ncn2)n1C,SMEMLDKSUYBMSW-UHFFFAOYSA-N,3,1,0.426,89,463,482.508,2.156,6,0.37,0.82,0.999,0.2905900897813721,0.09732026591734631,0.014092591323418545,0.012456308683434994,0.10361481392639299
EOS-3-24720,Cc1nnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2ccc(Cl)cc2)n1,WWYNSSCYIAEVPB-UHFFFAOYSA-N,3,1,0.441,45,730,434.29,4.926,5,0.401,0.77,0.949,0.3239925296415599,0.602280515386197,0.6109930779247481,0.8121102049208416,0.5873440819683367
EOS-3-24721,Fc1cncc(F)c1COc1cncc2nnc(-c3ccc(-c4cncnc4)cc3)n12,LJAFXAQKNCBGNC-UHFFFAOYSA-N,3,1,0.551,16,980,417.379,3.501,5,0.432,0.71,1.0,0.9264015489000068,0.7885340278253719,0.839978411349462,0.8165564389006922,0.8428676067438832
EOS-3-24722,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)cc1,GMKUKUQPDLVCOV-UHFFFAOYSA-N,3,1,0.317,76,653,443.427,3.561,6,0.402,0.64,0.688,0.2258584058666301,0.37192447399081624,0.18818963744774175,0.30559077513535743,0.2728908231101364
EOS-3-24724,Fc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)c(Cl)c1,CKBDGWMNADAJLP-UHFFFAOYSA-N,3,1,0.505,75,496,447.861,4.057,5,0.387,0.68,1.0,0.792423411692139,0.8519892399424303,0.6255996847371668,0.6772582413816737,0.7368176444383525
EOS-3-24725,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nnc2Cl)nc1,WMOYTOCNQBHZHV-UHFFFAOYSA-N,3,1,0.471,65,466,445.874,3.017,5,0.388,0.63,0.985,0.7371667466246317,0.7318809540127476,0.14382153382221918,0.17113289013775615,0.44600053114933863
EOS-3-24726,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccoc5)nc4)n23)cc1,LEUOJZUVMYJECU-UHFFFAOYSA-N,3,1,0.329,64,449,435.422,4.709,6,0.396,0.77,0.994,0.3365944760468782,0.3285329997943938,0.6200568843807827,0.6861078747172915,0.4928230587348365
EOS-3-24727,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)nc1,LGOZLLOYRMHAAJ-UHFFFAOYSA-N,3,1,0.306,93,651,429.487,4.921,6,0.398,0.83,1.0,0.058006647933657736,0.04114693989445549,0.6582396682886711,0.6772668083064903,0.3586650161058187
EOS-3-24728,COc1ccc(Oc2cncc3nnc(-c4ccc(Cl)nc4-c4cccnn4)n23)cn1,DRTURPJQFCFIFZ-UHFFFAOYSA-N,3,1,0.404,72,374,432.831,3.493,5,0.385,0.68,0.989,0.6402833938729354,0.7226029744362964,0.33940442738674526,0.3086834349941745,0.5027435576725379
EOS-3-24729,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)cn1,MBGVHMPDLJSPDI-UHFFFAOYSA-N,3,1,0.429,55,823,446.902,4.006,5,0.389,0.7,1.0,0.5066907682818176,0.494842711260366,0.41309711465972176,0.36599616201768215,0.44515668905489686
EOS-3-24730,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(F)c4)n23)ccc1-c1cncc(O)c1,SCQPUOHFZKJGTI-UHFFFAOYSA-N,3,1,0.362,14,291,460.444,4.458,5,0.386,0.8,1.0,0.5117109862243849,0.3768847234596669,0.892922006716469,0.820377287368926,0.6504737509423617
EOS-3-24731,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5csnn5)ccc4Cl)n23)cn1,KOISAHOSXGVHOR-UHFFFAOYSA-N,3,1,0.449,72,909,464.898,3.036,5,0.405,0.68,1.0,0.4068261256939209,0.4502347337399767,0.3211311767527928,0.3238982934685765,0.3755225824138167
EOS-3-24732,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)cc1,BJTVQKLZTSWZSH-UHFFFAOYSA-N,3,1,0.597,43,520,437.385,3.583,5,0.391,0.66,1.0,0.8885186073607018,0.7928688917826057,0.8732095127133165,0.8513467205811802,0.8514859331094511
EOS-3-24733,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)cc1F,ZROAKLWTEUUMBX-UHFFFAOYSA-N,3,1,0.531,73,980,454.828,3.492,5,0.401,0.64,1.0,0.8416575286135289,0.805188129668974,0.7246247686930299,0.7612483722842849,0.7831796998149545
EOS-3-24734,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cc5)n34)cn2)nc1,CMPDTHUGKWBSBI-UHFFFAOYSA-N,3,1,0.329,32,327,446.449,4.511,6,0.393,0.7,1.0,0.31677917894592555,0.4237972037557398,0.6963110821739429,0.7054519909533274,0.5355848639572339
EOS-3-24735,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cn4)n23)s1,CRDYVZKIWGUJEZ-UHFFFAOYSA-N,3,1,0.329,98,314,470.497,3.615,6,0.384,0.72,1.0,0.11561065040093207,0.3141576999520252,0.09391062984031252,0.14741107532040298,0.16777251387841818
EOS-3-24736,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)c(Cl)cn2)nn1,KWHRJXBIZJSYND-UHFFFAOYSA-N,3,1,0.456,7,62,437.876,3.036,5,0.408,0.65,1.0,0.529812898362004,0.5782845589747104,0.0987595092865465,0.13552018367486807,0.33559428757453225
EOS-3-24737,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)nc(Cl)c4)n23)ncn1,XEGUCFVLXSYDEL-UHFFFAOYSA-N,3,1,0.385,46,395,437.826,2.748,5,0.386,0.64,1.0,0.5553851689397574,0.45024330066479334,0.45711397436776097,0.444940374203276,0.47692070454389696
EOS-3-24738,Cn1cncc1-c1cc(C#N)cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)c1,PWQCOYBTIIDXBT-UHFFFAOYSA-N,3,1,0.489,16,256,426.415,3.177,5,0.425,0.65,1.0,0.7005688438078267,0.489993831814132,0.794719347543006,0.7354276608868481,0.6801774210129532
EOS-3-24739,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnn5)n4)n23)cc1,PMGXTSLWXOJNSC-UHFFFAOYSA-N,3,1,0.5,7,408,454.454,1.714,5,0.373,0.63,1.0,0.3917226372421356,0.13701939551778494,0.06892091015009252,0.025589404427386744,0.15581308683434994
EOS-3-24740,N#Cc1ncc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)cn1,QQIBQIWQAUNXNA-UHFFFAOYSA-N,3,1,0.383,18,157,425.387,2.628,5,0.39,0.65,1.0,0.6490130902611199,0.6022890823110136,0.5231049962305531,0.47005003084092933,0.561114299910904
EOS-3-24741,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccs5)c4)n23)cc1F,CQYCISATZLZPEA-UHFFFAOYSA-N,3,1,0.333,98,151,442.483,4.245,6,0.408,0.69,1.0,0.0422606401206223,0.19332979233774245,0.570068878075526,0.5670790213145089,0.3431845829620999
EOS-3-24742,Cc1nc(-c2cncc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)n(C)n1,VCBCOQUBXXLVJZ-UHFFFAOYSA-N,3,1,0.437,13,995,418.848,3.736,5,0.438,0.76,1.0,0.2766345692550202,0.4007264752244534,0.26229353711191833,0.3272308272222603,0.3167213522034131
EOS-3-24743,NC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccnc(Cl)c5)s4)n23)nc1,LLFBMXOLZUTAHZ-UHFFFAOYSA-N,3,1,0.402,46,587,465.886,2.431,5,0.373,0.7,1.0,0.3011017065314235,0.27335343705023646,0.06672777739702557,0.07401823041600987,0.17880028784867383
EOS-3-24744,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,XZXFDNZTHGIGKC-UHFFFAOYSA-N,3,1,0.505,75,496,447.861,4.057,5,0.387,0.66,1.0,0.8193663902405592,0.8519978068672469,0.6524484271126036,0.6946233979850592,0.7546090055513672
EOS-3-24745,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5c(F)cc(F)cc5F)n34)c2)cn1,GXYUBMGTJZTDJU-UHFFFAOYSA-N,3,1,0.494,59,521,448.408,4.553,5,0.393,0.73,1.0,0.8246950174765266,0.8282074566513604,0.9151617435405387,0.8920139126859022,0.865019532588582
EOS-3-24746,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cn5)n34)cc2)nn1,YZUUKTSHQHGXIA-UHFFFAOYSA-N,3,1,0.228,9,339,418.424,3.095,6,0.463,0.68,1.0,0.08551504351997807,0.07105407442944281,0.3772359673771503,0.3915941333698855,0.2313498046741142
EOS-3-24747,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,UAZHWMUQMGOACX-UHFFFAOYSA-N,3,1,0.495,37,832,449.396,3.682,5,0.391,0.67,1.0,0.8939329038448358,0.9139623740662052,0.7845161400863546,0.7946593790692893,0.8467676992666713
EOS-3-24748,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)c1,GCDJPBDKCJTRSX-UHFFFAOYSA-N,3,1,0.506,15,921,433.422,3.487,5,0.408,0.62,1.0,0.6797426495785073,0.54982523473374,0.5859519566856282,0.5605081899801247,0.5940070077445001
EOS-3-24749,Cc1nc(-c2cncn2C)cc(-c2nnc3cncc(OCCc4ccc(F)c(C)n4)n23)n1,ZVXBOBRFUPIDLC-UHFFFAOYSA-N,3,1,0.39,31,330,445.462,2.754,5,0.393,0.66,0.978,0.4916129806044822,0.26304742649578505,0.1379274895483517,0.09816839147419643,0.24768907203070384
EOS-3-24750,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ncon5)cc4)n23)cc1,QYSPJBSUGFXDBZ-UHFFFAOYSA-N,3,1,0.324,30,498,419.408,3.36,6,0.423,0.71,1.0,0.12631930642176684,0.05966006442327462,0.19146220272770886,0.27208553217736964,0.16238177643753
EOS-3-24751,Fc1cnc(-c2cccnc2COc2cncc3nnc(-c4ccc(F)cc4F)n23)nc1,LRPCGQVGFNJWAF-UHFFFAOYSA-N,3,1,0.554,73,82,435.369,3.64,5,0.416,0.64,1.0,0.8344784456171612,0.8862226715098348,0.7115859091220615,0.740584949626482,0.7932179939688849
EOS-3-24752,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c(F)c1,NRVPCMCNYKITBD-UHFFFAOYSA-N,3,1,0.351,9,38,448.465,4.455,6,0.396,0.7,1.0,0.25046261394010005,0.33813652251387843,0.7140874511685286,0.732720512644781,0.508851775066822
EOS-3-24753,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)[nH]2)c1,DCUFZGZJHMBSOT-UHFFFAOYSA-N,3,1,0.357,3,340,451.881,4.354,6,0.424,0.72,1.0,0.18159310533890755,0.3672812007401823,0.5298728668357207,0.6596103762593379,0.4345893872935371
EOS-3-24754,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ncc(C(F)F)cc4C(F)F)n23)cn1,AMEHLNWBWRHEPZ-UHFFFAOYSA-N,3,1,0.263,50,542,456.367,3.314,5,0.37,0.66,0.122,0.16751764786512233,0.23233500102803098,0.6853025837845247,0.6654787197587554,0.43765848810910835
EOS-3-24756,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)s2)nc1,YZCLVNOQIBRRCI-UHFFFAOYSA-N,3,1,0.34,32,902,452.478,4.573,6,0.387,0.75,1.0,0.25298985676101704,0.3862483722842848,0.43941470769652524,0.4760982797614968,0.388687804125831
EOS-3-24757,Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)ccn1,IXHLLRFTGGUQLV-UHFFFAOYSA-N,3,1,0.44,18,840,427.443,3.712,5,0.382,0.7,1.0,0.6707216777465561,0.5593002535809746,0.5890703173188953,0.5176221643478857,0.584178603248578
EOS-3-24758,Cn1ncnc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4F)cc3F)n12,ZUKAGUFUMATWCW-UHFFFAOYSA-N,3,1,0.506,37,563,434.41,2.882,5,0.379,0.67,1.0,0.577496401891577,0.5498338016585567,0.37341511890891643,0.42599890343362345,0.4816860564731684
EOS-3-24759,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(Cn5cccc5)cc4)n23)cc1,GWPSVTWXKSSUER-UHFFFAOYSA-N,3,1,0.325,64,885,447.477,4.904,6,0.376,0.82,1.0,0.26093139606606813,0.27840792269207043,0.7140960180933452,0.7689072030703858,0.5055856349804674
EOS-3-24760,Cn1ccnc1-c1cnc(COc2cncc3nnc(-c4ccc(C#N)cc4F)n23)cn1,KQPASJVGROFLDR-UHFFFAOYSA-N,3,1,0.467,7,212,427.403,2.572,5,0.42,0.63,1.0,0.6645791926530052,0.7040213145089439,0.44996059214584333,0.4260074703584401,0.5611421424165581
EOS-3-24761,Cc1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)cn2)nn1C,KUMOXEIPRXYRPD-UHFFFAOYSA-N,3,1,0.301,64,449,463.48,4.158,6,0.387,0.7,1.0,0.1398721814817353,0.25765026386128437,0.35076416969364677,0.3819991775752176,0.282571448152971
EOS-3-24762,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3noc(-c4ccsc4)n3)n12,AFLBKNWCGDPETR-UHFFFAOYSA-N,3,1,0.524,73,446,428.836,4.274,5,0.412,0.75,1.0,0.6858165992735248,0.779941402234254,0.47435919402371324,0.5889503803714619,0.6322668939757385
EOS-3-24763,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(CO)c5)cnn4)n23)cc1,YUKLTROKSLXZRY-UHFFFAOYSA-N,3,1,0.306,52,582,464.489,2.695,6,0.392,0.72,0.999,0.15393907203070387,0.04115550681927215,0.262302104036735,0.28412206154478786,0.1853796861078747
EOS-3-24764,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)nc1F,WUCBPUGEBHAIPA-UHFFFAOYSA-N,3,1,0.379,7,94,437.826,2.748,5,0.386,0.65,1.0,0.5219827290795696,0.5448564183400727,0.2658059762867521,0.2841306284696046,0.4041939380439997
EOS-3-24765,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)ccc2F)cn1,LRSNTRZWHCKZSC-UHFFFAOYSA-N,3,1,0.5,20,426,462.876,3.761,5,0.375,0.69,1.0,0.902054348571037,0.9270012336371736,0.49500548283188267,0.5042920293331505,0.707088273593311
EOS-3-24766,Cc1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5Cl)nn4)n23)cn1,DHROJDITAXBKQQ-UHFFFAOYSA-N,3,1,0.582,4,677,418.848,3.308,5,0.432,0.77,1.0,0.217608457268179,0.4327582071139744,0.3321568089918443,0.39449832088273595,0.34425544856418344
EOS-3-24767,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nn1,AGKJKUPGBQQOFG-UHFFFAOYSA-N,3,1,0.306,99,356,452.417,2.035,6,0.39,0.61,0.66,0.07295593173874305,0.1717325748749229,0.0894215612363786,0.16849427729422248,0.12565108628606678
EOS-3-24768,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)c2)s1,ZAPXBXIOBWQOOB-UHFFFAOYSA-N,3,1,0.299,42,106,448.515,4.742,6,0.384,0.79,1.0,0.10268316085258036,0.10050716194914673,0.30621616064697416,0.3117932287026249,0.20529992803783154
EOS-3-24769,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cnccn5)c4)n23)c(F)c1,NSJDEGUZMGNOHP-UHFFFAOYSA-N,3,1,0.306,98,765,451.429,2.64,6,0.398,0.6,1.0,0.20383284216297717,0.3040487286683572,0.2954132684531561,0.32390686039339317,0.2818004249194709
EOS-3-24770,Clc1ccc(-c2ncnnc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1,KZQNBJFYCSHRDX-UHFFFAOYSA-N,3,1,0.432,51,924,452.265,3.319,5,0.396,0.64,1.0,0.5219912960043863,0.5448649852648894,0.2480039065177164,0.4324155301213077,0.43681892947707496
EOS-3-24771,c1cnc(-c2ncsc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)nc1,CULGBDGUOKSDHS-UHFFFAOYSA-N,3,1,0.257,86,312,425.441,2.348,6,0.418,0.64,1.0,0.004686107874717292,0.001978959632650264,0.024073058734836544,0.037497429922554996,0.017058889041189775
EOS-3-24772,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(F)c5)cn4)n23)cc1,QRWVPPPKQSIUCS-UHFFFAOYSA-N,3,1,0.409,74,837,412.388,2.548,5,0.45,0.79,1.0,0.17015626070865603,0.17174114179973957,0.46782263038859573,0.4036135288876705,0.3033333904461655
EOS-3-24773,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccnnc5)ncc4Cl)n23)cn1,MLVNLONWPRSPIH-UHFFFAOYSA-N,3,1,0.283,99,719,467.884,3.154,6,0.384,0.69,1.0,0.17850901240490713,0.21205708998697828,0.2772770886162703,0.340055513672812,0.25197467617024194
EOS-3-24774,CCn1ccnc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ncn1,OFSNMAZQHGIFFA-UHFFFAOYSA-N,3,1,0.379,44,971,436.838,4.05,5,0.41,0.67,1.0,0.5092694126516346,0.48540196011239806,0.44996915907066,0.5007281886094168,0.48634218011102737
EOS-3-24775,CCOc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(Cl)cc1Cl,NMNLAZQCRHSAHI-UHFFFAOYSA-N,3,1,0.386,0,999,468.344,5.056,5,0.428,0.82,1.0,0.43637344938660816,0.4854105270372147,0.6345092865465013,0.7140103488451786,0.5675759029538757
EOS-3-24776,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)cn2)nn1,RGQYDRKJTVBUSX-UHFFFAOYSA-N,3,1,0.441,55,617,428.431,3.373,5,0.42,0.65,1.0,0.6946833664587759,0.6553183469261874,0.4206360084983894,0.3239154273182099,0.5236382873003906
EOS-3-24777,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)n2)nn1,FJKNSMJVRBQGAD-UHFFFAOYSA-N,3,1,0.282,76,14,433.439,2.501,6,0.412,0.6,0.989,0.031149338633404154,0.028682064286203825,0.11168699883489823,0.1226612295250497,0.07354490781988898
EOS-3-24778,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cn5)n4)n23)cn1,KXNWDHCYYMBDTG-UHFFFAOYSA-N,3,1,0.446,7,535,467.827,3.603,5,0.369,0.7,1.0,0.709898224933178,0.8317284627510109,0.5399047357960387,0.5176307312727023,0.6497905386882326
EOS-3-24779,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nn2)n1,BWWKNJFKNFLWSS-UHFFFAOYSA-N,3,1,0.356,38,193,437.492,3.866,6,0.413,0.67,1.0,0.003144061407717086,0.04116407374408882,0.21940751147967927,0.2366955657597149,0.12510280309780003
EOS-3-24780,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccc(F)nc4)n23)cc1,QVVCSBGAUWDROU-UHFFFAOYSA-N,3,1,0.457,89,731,456.441,2.721,5,0.387,0.62,1.0,0.6064526077719142,0.39088307861010213,0.3429854019601124,0.23670413268453155,0.3942563052566651
EOS-3-24781,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnno5)n4)n23)c(F)c1,PWWVIPRZSOCLMZ-UHFFFAOYSA-N,3,1,0.333,76,865,441.39,2.233,6,0.4,0.6,0.998,0.25299842368583375,0.3332448084435611,0.13165650058255088,0.16850284421903913,0.22160064423274622
EOS-3-24782,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cc(Cl)ncn1,GKRRMRBTCRIGAH-UHFFFAOYSA-N,3,1,0.469,20,846,460.885,3.322,5,0.337,0.72,1.0,0.7755380028784867,0.6990953327393599,0.40288534027825373,0.33357891851141114,0.5527743986018779
EOS-3-24783,Cc1nn(C)cc1-c1cnnc(COc2cncc3nnc(-c4ccc(F)cn4)n23)c1,MQFAXWJHOSRAOT-UHFFFAOYSA-N,3,1,0.402,92,544,417.408,2.403,5,0.429,0.7,1.0,0.33889897882256187,0.31940922486464257,0.23720958124871497,0.19848708107737648,0.273501216503324
EOS-3-24784,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)nc1,QFPYALICXHKTOV-UHFFFAOYSA-N,3,1,0.516,40,425,453.491,3.674,6,0.406,0.7,1.0,0.4551864162840107,0.467891165787129,0.18162737303817422,0.17114145706257283,0.31896160304297166
EOS-3-24785,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ncc(F)cn5)n34)cn2)n(C)n1,CNALNYBLETYGHH-UHFFFAOYSA-N,3,1,0.288,70,902,464.468,3.553,6,0.389,0.66,1.0,0.19281577684874238,0.24282091700363237,0.20183674868069357,0.20735384826262765,0.211206822698924
EOS-3-24786,CC#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,VOOVJDZFCHCPAP-UHFFFAOYSA-N,3,1,0.494,36,320,440.442,3.071,5,0.388,0.66,1.0,0.6089455828935645,0.4767922006716469,0.5500479747789734,0.43242409704612433,0.5170524638475772
EOS-3-24787,Cn1cncc1-c1nnc2cncc(OCc3cc(-c4ncc(F)nn4)ncc3Cl)n12,QBFNRIKZAHPOFV-UHFFFAOYSA-N,3,1,0.372,7,828,438.814,2.143,5,0.406,0.6,0.999,0.42512507710232333,0.3090775135357412,0.19841854567884312,0.2512764717976835,0.2959744020286478
EOS-3-24788,Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc(-c2nccs2)n1,HXAQQJLQHJFRON-UHFFFAOYSA-N,3,1,0.534,75,583,433.472,3.774,5,0.402,0.69,1.0,0.7284284833116305,0.6450808717702693,0.35461928586114727,0.31784147762319237,0.5114925296415598
EOS-3-24789,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6c[nH]nn6)n5)n34)cc2)nc1,FYXIAYVQDIDAMQ-UHFFFAOYSA-N,3,1,0.321,38,865,436.414,3.235,6,0.447,0.59,1.0,0.18707593722157495,0.237415187444315,0.3620382427523816,0.39160270029470223,0.29453301692824346
EOS-3-24790,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)nc5)n34)nc2)n(C)n1,APIIRPQHBSBSDR-UHFFFAOYSA-N,3,1,0.286,70,968,447.466,2.809,6,0.401,0.6,0.999,0.0710283736549928,0.04117264066890549,0.10640120622301419,0.10017305188129669,0.07969381810705228
EOS-3-24791,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnn(C)n6)ccn5)n34)nc2)n1C,DXXNRGNJZFANNM-UHFFFAOYSA-N,3,1,0.252,99,652,450.47,2.148,6,0.396,0.6,0.997,0.10752347337399767,0.06731889520937565,0.04607292166403948,0.03221163731067096,0.06328173188952094
EOS-3-24793,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(O)cc5F)n34)ccn2)ncn1,MMIAVQBTMJXWDM-UHFFFAOYSA-N,3,1,0.457,24,912,429.415,3.375,5,0.453,0.64,1.0,0.8011102734562402,0.5977828798574464,0.6438729353711192,0.5507847303132067,0.648387704749503
EOS-3-24794,Fc1cc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)ccc1Cl,RQVGWRYTJPWYRW-UHFFFAOYSA-N,3,1,0.267,10,748,470.859,3.684,6,0.383,0.69,0.24,0.03927935028442191,0.17626447810294016,0.3394129943115619,0.5240387910355698,0.26974890343362345
EOS-3-24795,COc1cnc(COc2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)cn1,UOMDRJCXRJLSLP-UHFFFAOYSA-N,3,1,0.529,97,850,429.415,3.37,5,0.405,0.65,1.0,0.6035741210335138,0.6991038996641765,0.4571225412925776,0.3945068878075526,0.5385768624494551
EOS-3-24796,Cn1ncnc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(=O)NCCF)cn4)n23)c1,CMUUKFBREKFROT-UHFFFAOYSA-N,3,1,0.404,33,53,474.46,1.655,5,0.356,0.7,0.343,0.21210849153587827,0.05192413131382359,0.05690151463230759,0.02748269481187033,0.08710420807346994
EOS-3-24797,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1,DUAIYKMEEIGVKG-UHFFFAOYSA-N,3,1,0.523,59,630,448.408,4.553,5,0.367,0.78,1.0,0.909970187101638,0.8916198341443355,0.9438780755260092,0.914998971969022,0.9151167671852511
EOS-3-24798,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)cc1,JXQTZKKGMHWOMB-UHFFFAOYSA-N,3,1,0.438,80,147,462.477,3.018,6,0.367,0.64,1.0,0.5016791172640669,0.2733620039750531,0.28088376396408743,0.21900486601329586,0.3187324378041258
EOS-3-24799,COCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1,XYSQAKVFMIREEC-UHFFFAOYSA-N,3,1,0.31,25,508,462.477,3.173,6,0.367,0.7,1.0,0.190091494757042,0.12310670961551641,0.2409790281680488,0.2781766157220204,0.2080884620656569
EOS-3-24800,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)c2)nn1,JURBZLSJKMZGCC-UHFFFAOYSA-N,3,1,0.261,99,286,437.431,1.234,6,0.395,0.6,0.928,0.03928791720923857,0.016260023302035503,0.03060962236995408,0.02845932424097046,0.028654221780549653
EOS-3-24801,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncc(C)n5)cnn4)n23)cn1,YJCFWHRAYODFMU-UHFFFAOYSA-N,3,1,0.423,92,185,455.442,1.075,5,0.39,0.62,1.0,0.3620553766020149,0.17174970872455622,0.025109656637653348,0.008481255568501132,0.14184899938318138
EOS-3-24802,CCn1nnnc1COc1cncc2nnc(-c3ccnc(-c4ccnc(CF)c4)c3)n12,NPGRKVKBCQYEMA-UHFFFAOYSA-N,3,1,0.412,92,329,432.423,2.303,5,0.381,0.69,1.0,0.3063360975944075,0.17627304502775684,0.03061818929477075,0.04125830991707217,0.13862141045850182
EOS-3-24803,Clc1cccc(-c2nccnc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,AHUSHXQNNGLQOC-UHFFFAOYSA-N,3,1,0.37,38,7,451.881,4.354,6,0.424,0.67,1.0,0.2662600233020355,0.3768932903844836,0.4917243506270989,0.6009612089644302,0.4339597183195121
EOS-3-24804,CCOc1ncc(Cl)nc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,DLLGULPWUUSSLH-UHFFFAOYSA-N,3,1,0.489,68,127,433.806,3.545,4,0.436,0.65,0.968,0.5606109930779247,0.7544890686039339,0.4815554108697142,0.4005894044273867,0.5493112192447399
EOS-3-24805,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cc[nH]n5)ncc4Cl)n23)cc1,JGLFGHGFYPEMMP-UHFFFAOYSA-N,3,1,0.585,34,232,438.278,4.462,5,0.436,0.66,1.0,0.9224950311836063,0.9233088890411898,0.7971609211157563,0.8562898362003976,0.8748136693852375
EOS-3-24806,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5cscn5)n34)ncn2)cc1F,UNUDGVOBSUEEDD-UHFFFAOYSA-N,3,1,0.505,44,238,435.444,2.915,5,0.433,0.68,0.879,0.5191642108148858,0.512918922623535,0.5330854636419711,0.4790281680487972,0.5110491912822973
EOS-3-24807,COc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)n1,SXBNXTGDBLZYSR-UHFFFAOYSA-N,3,1,0.434,49,501,459.897,3.927,5,0.361,0.69,1.0,0.5920858748543623,0.5129274895483518,0.4169350969775889,0.37232711945719965,0.4735688952093756
EOS-3-24808,FCc1nc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)cn2)n[nH]1,WOMMKUXYCNPWFN-UHFFFAOYSA-N,3,1,0.44,55,980,439.361,2.693,5,0.429,0.6,1.0,0.6797512165033239,0.630594201905284,0.4065262833253375,0.42291481049962304,0.5349466280583922
EOS-3-24809,CCCc1nnc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1F,BRYFGSBONWSPTH-UHFFFAOYSA-N,3,1,0.568,90,255,416.819,4.044,4,0.472,0.72,1.0,0.9083596052361045,0.9609690905352615,0.5734528133781098,0.6684000411212391,0.7777953875676786
EOS-3-24810,CN(C)C(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncnc(Cl)n5)cn4)n23)cc1,FKCODDPVOWYELP-UHFFFAOYSA-N,3,1,0.468,89,412,473.884,3.186,5,0.378,0.73,1.0,0.7099067918579947,0.5403245151120554,0.18163593996299088,0.09212870947844562,0.38099898910287167
EOS-3-24811,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5)ncc4Cl)n23)cc1,KAFKKJUXGFMSRA-UHFFFAOYSA-N,3,1,0.494,89,731,474.912,3.179,5,0.402,0.7,1.0,0.47166061270646287,0.45911006785004455,0.49173291755191556,0.35584435610993076,0.44458698855458845
EOS-3-24812,COc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5cn(C)cn5)cc4F)n23)n1,UPGGXLJEVANKDV-UHFFFAOYSA-N,3,1,0.421,73,526,450.409,2.848,5,0.389,0.67,1.0,0.652105750119937,0.5885306010554452,0.4206445754232061,0.32093413748200944,0.4955537660201494
EOS-3-24813,Cc1cccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5nccn5C)c4)n23)n1,INLYVQNDUKIUMH-UHFFFAOYSA-N,3,1,0.494,4,464,432.875,3.523,5,0.392,0.71,1.0,0.387379206360085,0.4238057706805565,0.277285655541087,0.2512850387225002,0.3349389178260571
EOS-3-24814,COc1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1-c1cnnn1C,BOORDHVATDFEDG-UHFFFAOYSA-N,3,1,0.494,16,980,450.409,2.848,5,0.389,0.63,1.0,0.5529264615173737,0.454843739291344,0.6256082516619834,0.5108028921938181,0.5360453361661298
EOS-3-24815,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5cnco5)n4)n23)cc1,YZYKJLDGVLKGHW-UHFFFAOYSA-N,3,1,0.321,10,507,427.363,2.018,6,0.41,0.64,0.993,0.08325337536837776,0.167577616338839,0.08189980124734425,0.16071550956068809,0.12336157562881228
EOS-3-24816,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)nc2)nc1,XXPXSKGCCCXLJK-UHFFFAOYSA-N,3,1,0.402,46,62,448.849,3.718,5,0.375,0.69,1.0,0.8598708107737647,0.7799499691590707,0.5467668425741896,0.5310979370845041,0.6794213898978823
EOS-3-24817,Cc1cn(C)nc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,UGRZOHDGSVGGDE-UHFFFAOYSA-N,3,1,0.393,33,53,481.52,2.761,6,0.376,0.81,0.972,0.09057809608662874,0.07106264135425948,0.051281611952573504,0.04126687684188884,0.06354730655883764
EOS-3-24818,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)s2)n1C,XMWSLDSPEYOWFO-UHFFFAOYSA-N,3,1,0.333,98,42,453.535,4.024,6,0.4,0.66,1.0,0.10753204029881434,0.08820505791241176,0.08688575149064492,0.08825645946131176,0.0927198272907957
EOS-3-24819,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5cc(-c6nncn6C)ccc5Cl)n34)nc2)n1,LOUHJYINFQRXPG-UHFFFAOYSA-N,3,1,0.318,98,765,469.9,3.098,6,0.386,0.67,1.0,0.17555342334315674,0.367289767664999,0.2338770474950312,0.28103796861078745,0.26443955177849354
EOS-3-24820,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)cn2)cc1,RIJSBQDIXRNTCX-UHFFFAOYSA-N,3,1,0.338,30,93,427.471,4.977,6,0.395,0.83,1.0,0.1321619491467343,0.13330991707216777,0.6020063737920636,0.6337896648619011,0.3753169762182167
EOS-3-24821,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccn5C)n4)n23)cc1,AKGLIHSNAMIVIK-UHFFFAOYSA-N,3,1,0.449,56,8,464.493,2.961,6,0.37,0.65,1.0,0.4317558769104242,0.2990456445754232,0.15002398738948666,0.10645260777191419,0.24681952916181207
EOS-3-24822,CCc1nnc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)nc2)s1,PZAKAABWBLVURS-UHFFFAOYSA-N,3,1,0.289,50,261,421.877,3.378,5,0.434,0.7,0.995,0.09765437598519636,0.202599204989377,0.025118223562470017,0.05581351518059077,0.09529632992940854
EOS-3-24823,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)c1,SFLSHPYOUTWHHI-UHFFFAOYSA-N,3,1,0.529,43,521,418.407,4.049,5,0.431,0.75,1.0,0.7895620588033719,0.6306027688301008,0.8846292234939346,0.8614642587896648,0.7915645774792681
EOS-3-24824,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4scnc4-c4ccncc4)n23)cc1,GGOBZIOVLVQZSW-UHFFFAOYSA-N,3,1,0.489,89,656,475.509,3.588,5,0.365,0.78,1.0,0.35973373997669794,0.1521742855184703,0.23021897059831403,0.16072407648550477,0.22571276814474675
EOS-3-24826,Clc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)nc1,YTWGVIQRPWLXCN-UHFFFAOYSA-N,3,1,0.312,38,154,452.869,3.749,6,0.429,0.61,1.0,0.23398841751764787,0.30908608046055785,0.302686587622507,0.36908025495168256,0.3037103351380988
EOS-3-24827,Clc1ccnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)ncn2)c1,KCDQSAWEZWAYLY-UHFFFAOYSA-N,3,1,0.317,38,154,452.869,3.749,6,0.429,0.61,1.0,0.1755619902679734,0.29905421150023986,0.44646528682064285,0.5074960592145843,0.3571443869508601
EOS-3-24828,c1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)cc(-c2cncnc2)c1,RAKXXXCSBPRQCF-UHFFFAOYSA-N,3,1,0.471,94,868,459.473,3.679,6,0.368,0.69,1.0,0.55039065177164,0.4591186347748612,0.5734613803029265,0.507504626139401,0.5226188232472071
EOS-3-24829,FC(F)Oc1ccc(-c2nnc3cncc(-c4cccc(-c5cnnc(Cl)c5)n4)n23)cc1,BRFGXIWNTUYPDJ-UHFFFAOYSA-N,3,1,0.494,96,121,451.824,4.565,5,0.386,0.76,1.0,0.4916215475292989,0.7364728257144816,0.8977794530875197,0.9024998286615037,0.7570934137482009
EOS-3-24830,Cn1ncc(-c2cncc3nnc(-c4cc(F)ccc4Cl)n23)c1-c1cc(F)ccn1,DLLSJZYTVZQRGJ-UHFFFAOYSA-N,3,1,0.342,45,844,423.814,4.185,5,0.435,0.7,1.0,0.13988074840655199,0.32412960043862654,0.8116989925296415,0.8867024192995683,0.540602940168597
EOS-3-24831,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C(F)F)nc5)ccn4)n23)cc1,SNJVLXKDJRBSRK-UHFFFAOYSA-N,3,1,0.54,27,744,445.433,4.468,5,0.381,0.73,1.0,0.7191933383592626,0.7086817216092112,0.747575560276883,0.6221729148104996,0.6994058837639642
EOS-3-24832,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cn1,JPCWWEZBYNHFLC-UHFFFAOYSA-N,3,1,0.5,2,36,418.848,3.214,5,0.404,0.75,1.0,0.3142433692001919,0.39556061956000277,0.4950140497566993,0.4761068466863135,0.42023122130080187
EOS-3-24833,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnncc5F)c4)n23)cc1,FRDJZEWIOSGOKT-UHFFFAOYSA-N,3,1,0.316,9,867,448.465,4.455,6,0.396,0.71,1.0,0.2822801727092043,0.2887824686450552,0.737517990542115,0.7298420259063807,0.5096056644506888
EOS-3-24834,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nc(C#N)n2)nn1,KYQOILGYJCWLHJ-UHFFFAOYSA-N,3,1,0.432,53,330,456.857,2.846,5,0.362,0.67,0.876,0.5399047357960387,0.5267031046535535,0.24801247344253308,0.25732472071825097,0.39298625865259407
EOS-3-24835,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,MHIWEEDUWFRSLX-UHFFFAOYSA-N,3,1,0.484,16,55,447.861,4.323,5,0.37,0.71,1.0,0.7402080049345487,0.7544976355287506,0.7822459050099376,0.7638612843533685,0.7602032074566514
EOS-3-24836,Cc1ccc(COc2cncc3nnc(-c4cc(C#N)nc(-c5ccc(Cl)cc5)c4)n23)nc1,HOPCFUREKPWLTE-UHFFFAOYSA-N,3,1,0.528,1,92,453.893,4.661,5,0.381,0.76,1.0,0.6858251661983414,0.8386591049276951,0.7845247070111713,0.7759663491193202,0.7712438318141319
EOS-3-24837,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)nc1,CDXPWMKHZWMMNL-UHFFFAOYSA-N,3,1,0.56,7,420,430.859,3.579,5,0.416,0.63,1.0,0.5425861832636557,0.6072236310054143,0.34299396888492906,0.3463864711123295,0.45979756356658213
EOS-3-24838,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cc4F)n23)cn1,HSADDMKGPWYIFR-UHFFFAOYSA-N,3,1,0.316,42,693,438.426,4.048,6,0.409,0.66,1.0,0.28772873689260503,0.28352237680762116,0.5092779795764513,0.4853162908642314,0.3914613460352272
EOS-3-24839,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5nncn5C)n4)n23)cn1,KVBLXFWZEBKKTO-UHFFFAOYSA-N,3,1,0.36,80,816,466.469,1.751,6,0.356,0.68,1.0,0.3666215475292989,0.20719964361592763,0.02408162565965321,0.014992118429168666,0.1532237338085121
EOS-3-24842,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)c(F)c1,HSOIACMPATYYSI-UHFFFAOYSA-N,3,1,0.458,89,398,482.479,3.254,6,0.375,0.83,1.0,0.44105955726132545,0.2835309437324378,0.28089233088890414,0.29599581934068947,0.32536966280583923
EOS-3-24843,Cc1nccc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)c(F)c2)n1,VMLIGCGWXLHXHM-UHFFFAOYSA-N,3,1,0.552,35,0,461.888,4.366,5,0.371,0.74,1.0,0.9314731683914742,0.9318843807826742,0.7115944760468782,0.7140189157699952,0.8222427352477555
EOS-3-24844,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccc2F)cc1=O,YKUAAWOEPSUQSH-UHFFFAOYSA-N,3,1,0.522,4,71,463.86,3.319,5,0.394,0.65,1.0,0.5477177712288397,0.6169213898978823,0.6717497087245562,0.6916849427729422,0.6320184531560551
EOS-3-24845,Cc1ncc(-c2cnc(C)n2C)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,ZAHWQALMNHVTSW-UHFFFAOYSA-N,3,1,0.385,46,168,446.902,3.831,5,0.404,0.66,1.0,0.5635665821396751,0.5173651566033857,0.3468405181276129,0.29297169488040575,0.43018598793776985
EOS-3-24846,Cn1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)n1,GBLQTIPPBUFDJU-UHFFFAOYSA-N,3,1,0.56,36,10,437.826,2.748,5,0.413,0.63,1.0,0.5167312041669523,0.7757950106229867,0.3546278527859639,0.42917723254060725,0.5190828250291275
EOS-3-24847,CCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NCCCO)cc4)n23)c(Cl)n1,ZCJDXSTXTNRODL-UHFFFAOYSA-N,3,1,0.393,63,334,451.918,2.5,4,0.312,0.83,0.999,0.17016482763347268,0.1762816119525735,0.06476595161400864,0.06025974916044137,0.11786803509012404
EOS-3-24848,Cc1nncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)n2)n1,FNIRHIHHAGSEQH-UHFFFAOYSA-N,3,1,0.275,99,259,448.454,2.204,6,0.394,0.59,0.923,0.07673394558289356,0.03467034473305462,0.041361113014872185,0.04127544376670551,0.048510211774381466
EOS-3-24849,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)nn1,VRMLKWWMKGBJIM-UHFFFAOYSA-N,3,1,0.394,53,785,446.862,2.412,5,0.383,0.61,0.833,0.5066993352066342,0.5129360564731684,0.06892947707490919,0.0981769583990131,0.2966854567884312
EOS-3-24850,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)c2)o1,BKAUSCJKZNCXRH-UHFFFAOYSA-N,3,1,0.314,64,449,451.425,3.808,6,0.394,0.66,1.0,0.23694400657939826,0.2682047152354191,0.27729422246590363,0.34323384277979574,0.28141919676512916
EOS-3-24851,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnoc5)nc4)n23)cc1,FECADEDBCKBIIF-UHFFFAOYSA-N,3,1,0.531,89,731,414.385,1.914,5,0.44,0.77,1.0,0.6064611746967309,0.1889263929819752,0.19147076965252552,0.10868857514906449,0.27388672812007403
EOS-3-24852,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)n1,GGVBLVDWJNCRLJ-UHFFFAOYSA-N,3,1,0.336,10,118,449.453,3.944,6,0.402,0.64,0.397,0.017279487355218972,0.18045370433829072,0.3211397436776095,0.3788893838667672,0.2244405798094716
EOS-3-24853,Cc1cccc(-c2cn(C)nc2-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)n1,PISQWRRSVLRMEH-UHFFFAOYSA-N,3,1,0.297,64,449,463.48,4.158,6,0.387,0.71,0.764,0.08552361044479474,0.14822493317798643,0.29542183537797273,0.35283736549928035,0.22050193612500857
EOS-3-24854,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1F,AWJBHBNUMUSUHP-UHFFFAOYSA-N,3,1,0.557,26,125,429.459,3.83,5,0.391,0.69,1.0,0.7924319786169557,0.607232197930231,0.5734699472277431,0.5108114591186348,0.6209863957233912
EOS-3-24855,Cc1cnc(-c2ncncc2-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nc1,KKODFPMWTVVSBS-UHFFFAOYSA-N,3,1,0.434,65,510,445.874,3.017,5,0.363,0.67,1.0,0.6258652594064834,0.6169299568226989,0.1116955657597149,0.1498526488931533,0.3760858577205126
EOS-3-24856,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)c2)nn1,LJWAEPFOBLALCH-UHFFFAOYSA-N,3,1,0.536,15,438,445.874,3.017,5,0.363,0.65,1.0,0.8221420738811597,0.7966040710026728,0.21941607840449592,0.22470187101637995,0.5157160235761771
EOS-3-24857,Cc1cc(Cl)c(F)cc1-c1nnc2cncc(-c3ccc(-c4c[nH]nn4)cc3F)n12,LUQSFIQGPKICKA-UHFFFAOYSA-N,3,1,0.319,45,102,423.814,4.483,5,0.462,0.7,0.983,0.36423137550544854,0.49485127818518265,0.9327582071139744,0.9488211911452266,0.685165512987458
EOS-3-24858,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5ccc(Cl)nc5)nc4)n23)n1,YZZCTLCOXVOGPI-UHFFFAOYSA-N,3,1,0.307,99,259,467.884,3.154,6,0.359,0.69,1.0,0.17557055719279008,0.21206565691179494,0.14383010074703584,0.2073624151874443,0.1847071825097663
EOS-3-24859,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4cn(C)c(C)n4)nc3)n12,QEIASKYOBFUHAU-UHFFFAOYSA-N,3,1,0.316,52,582,480.532,3.463,6,0.396,0.82,0.864,0.24231546843944898,0.12311527654033308,0.1205023644712494,0.0829535329997944,0.14222166061270647
EOS-3-24860,Fc1c(Cl)ccnc1COc1cncc2nnc(-c3cccc(-c4ccncc4)c3)n12,JYEIHNBJBBIOKB-UHFFFAOYSA-N,3,1,0.549,97,744,432.846,4.62,5,0.403,0.73,1.0,0.6797597834281406,0.7457508052909327,0.8605133301350147,0.8780840929340004,0.7910270029470221
EOS-3-24861,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cccc(-c4ccccn4)c3)n12,KXMVXERVAQJJAS-UHFFFAOYSA-N,3,1,0.477,97,666,432.846,4.62,5,0.403,0.73,1.0,0.8371256253855116,0.7966126379274896,0.8663302720855321,0.8754112123912,0.8438699369474333
EOS-3-24862,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,JREMTGBFLLNFJF-UHFFFAOYSA-N,3,1,0.77,91,876,448.889,4.606,5,0.379,0.74,1.0,0.8395500651086286,0.7586954286889178,0.8261856623946269,0.8183897608114591,0.810705229250908
EOS-3-24863,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)nc1,NBDLRKJUEXDMDV-UHFFFAOYSA-N,3,1,0.28,82,100,408.425,2.67,5,0.487,0.9,1.0,0.14531217874031938,0.05578781440614077,0.3430025358097457,0.2720940991021863,0.20404915701459803
EOS-3-24864,FC(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)c(Cl)n1,HEAFPXNNYSOHER-UHFFFAOYSA-N,3,1,0.362,50,243,436.813,4.296,5,0.388,0.71,0.997,0.3037660201494072,0.4722431635939963,0.8399869782742787,0.8323024467137277,0.6120746521828525
EOS-3-24865,Cn1ncnc1-c1cccc(-c2nnc3cncc(OCc4csc(Br)n4)n23)c1,RTZREZBBRDZNKA-UHFFFAOYSA-N,3,1,0.53,36,931,469.328,3.385,5,0.389,0.7,1.0,0.37585669248166675,0.4193938043999726,0.12338941813446645,0.11585052429579878,0.25862260982797614
EOS-3-24866,COc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c(OC)n1,JRRJCPNDHSYCRO-UHFFFAOYSA-N,3,1,0.443,75,420,442.439,2.634,5,0.372,0.67,1.0,0.4528476458090604,0.1482335001028031,0.15931910081557124,0.05582208210540744,0.20405558220821052
EOS-3-24868,c1cnnc(-c2ccc(Cc3cncc4nnc(-c5ccccc5-c5ncon5)n34)cc2)c1,QMTNUUQNDBAWST-UHFFFAOYSA-N,3,1,0.348,30,553,432.447,3.889,6,0.404,0.7,1.0,0.20107429237201013,0.11030772393941471,0.3956719895826194,0.41966794599410595,0.28168048797203754
EOS-3-24869,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)no4)n23)cc1Cl,ZOBMVBHDQXBSJT-UHFFFAOYSA-N,3,1,0.561,59,389,440.25,4.122,5,0.402,0.72,1.0,0.8247035844013433,0.8833441847714344,0.634517853471318,0.7245648002193132,0.7667826057158522
EOS-3-24870,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccco4)cc3)n12,AKNXNKFFCVZSNE-UHFFFAOYSA-N,3,1,0.377,93,553,419.448,4.514,6,0.418,0.81,1.0,0.07103694057980947,0.07107120827907615,0.2918665615790556,0.3690888218764992,0.2007658830786101
EOS-3-24871,Cc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5cnc(C)nn5)c4)n23)n(C)n1,XLYQMJOACANNFT-UHFFFAOYSA-N,3,1,0.5,36,662,431.435,2.712,5,0.418,0.64,1.0,0.3827702008087177,0.37193304091563295,0.20899869782742786,0.1630028784867384,0.2816762045096292
EOS-3-24872,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nn2)cc1,FLPGVUIEISUQTD-UHFFFAOYSA-N,3,1,0.276,30,298,417.436,3.496,6,0.433,0.72,0.413,0.014649441436501954,0.014829346857651977,0.16881982043725585,0.26339010348845177,0.11542217805496538
EOS-3-24873,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5c(F)ccc(F)c5F)n34)nc2)cn1,FMISPHGGPOVFMT-UHFFFAOYSA-N,3,1,0.396,13,251,423.358,3.796,5,0.409,0.74,1.0,0.5140754574737852,0.5267116715783702,0.8846377904187512,0.8477057775340964,0.6932826742512508
EOS-3-24874,COc1ccnc(COc2cncc3nnc(-c4cncc(-c5cc(C)ncn5)c4)n23)c1,ONEHEVLMZKPSKB-UHFFFAOYSA-N,3,1,0.438,7,85,426.44,2.934,5,0.404,0.68,1.0,0.37820402988143376,0.22238880131587965,0.35822596120896444,0.20467240079501062,0.29087279830032214
EOS-3-24875,Cc1nnc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c(F)c2)o1,DYTDSBDDHNZYBD-UHFFFAOYSA-N,3,1,0.387,67,622,470.428,3.272,6,0.369,0.72,1.0,0.457396682886711,0.44130799808100885,0.1753478171475567,0.13552875059968475,0.3023953121787403
EOS-3-24876,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)cc1,YMUXCDQNJCZTJD-UHFFFAOYSA-N,3,1,0.518,16,22,435.85,3.958,5,0.389,0.72,1.0,0.8063703652936742,0.6553269138510041,0.8032948392844904,0.7736361455691865,0.7596570659995887
EOS-3-24877,COc1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1ccccn1,BJZYGEIEXSWUTA-UHFFFAOYSA-N,3,1,0.5,4,61,427.468,3.483,5,0.41,0.68,1.0,0.30111027345624014,0.1845058597765746,0.31362655061339184,0.18226132547460763,0.24537600233020354
EOS-3-24878,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)nc1,CDHIIJPJJOFABE-UHFFFAOYSA-N,3,1,0.655,84,360,448.408,4.287,5,0.386,0.73,1.0,0.9428329106983757,0.9215526694537729,0.9207730792954562,0.9137567678706051,0.9247288568295524
EOS-3-24879,Cc1ccc(-c2nnc3cncc(-c4cn(-c5cncnn5)nn4)n23)c(-c2ccc(F)cn2)n1,NEPBZTPISUIAJS-UHFFFAOYSA-N,3,1,0.301,99,312,452.417,2.129,6,0.391,0.62,0.999,0.008661160989651156,0.14443835240901925,0.10915975601398122,0.15252552943595368,0.10369619971215133
EOS-3-24880,Fc1ccc(Cc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c(F)c1,MMZHEPWKXKQVLJ-UHFFFAOYSA-N,3,1,0.343,14,358,434.837,4.771,5,0.381,0.77,0.999,0.37110204920841616,0.45912720169967786,0.9312589952710575,0.952136591049277,0.678406209307107
EOS-3-24881,Cc1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5ccc(F)cc5F)n4)n23)cc1,HHFFNDYWMPBYOT-UHFFFAOYSA-N,3,1,0.368,45,316,418.382,4.641,5,0.427,0.8,1.0,0.45740524981152764,0.6842317181824412,0.8746316222328833,0.8989274210129532,0.7287990028099514
EOS-3-24882,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nc1,IEGXTGRBYWVTNC-UHFFFAOYSA-N,3,1,0.308,70,191,437.492,3.772,6,0.414,0.64,1.0,0.06500582550887533,0.09732883284216298,0.2845932424097046,0.2633986704132685,0.17758164279350286
EOS-3-24883,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)s1,XERICKRSPCEMLV-UHFFFAOYSA-N,3,1,0.306,38,608,437.492,3.772,6,0.414,0.64,1.0,0.06687341511890892,0.09116921389897882,0.15932766774038792,0.1711500239873895,0.12213008018641629
EOS-3-24884,COc1cc(Cl)ccc1-c1nnc2cncc(-c3cnnc(-c4nncn4C)c3)n12,UJUHYYVNBIPZIE-UHFFFAOYSA-N,3,1,0.352,22,985,419.836,2.706,5,0.437,0.69,0.997,0.2609399629908848,0.3719416078404496,0.24436296347063258,0.2929802618052224,0.29255619902679736
EOS-3-24885,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cn2)cn1,JWUNSZSVZLSNLW-UHFFFAOYSA-N,3,1,0.306,70,154,452.869,3.749,6,0.401,0.67,0.997,0.22880542800356385,0.3285415667192105,0.4394232746213419,0.4882376122267151,0.3712519703927078
EOS-3-24886,N#Cc1cc(F)cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)ncn2)c1,DVMUWNROMKNEEX-UHFFFAOYSA-N,3,1,0.474,44,573,445.364,4.33,5,0.406,0.71,1.0,0.7895706257281886,0.7628246864505517,0.9567027619765609,0.9584332807895278,0.8668828387362073
EOS-3-24887,COc1ncc(C)cc1COc1cncc2nnc(-c3ccc(-c4nccn4C)c(F)c3)n12,FMZNQWPCBYCPTO-UHFFFAOYSA-N,3,1,0.483,16,353,445.458,3.622,5,0.394,0.66,1.0,0.7253786580768967,0.6022976492358303,0.47787163319854703,0.317850044548009,0.5308494962648208
EOS-3-24888,COC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)cc1,UPLHCQGXEVOEQO-UHFFFAOYSA-N,3,1,0.477,48,646,413.264,4.476,4,0.462,0.9,1.0,0.5503992186964567,0.544873552189706,0.8690802549516825,0.8581231581111645,0.7056190459872524
EOS-3-24889,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cn1,PFGNNKCVPFYCOV-UHFFFAOYSA-N,3,1,0.479,87,779,451.853,2.791,5,0.387,0.61,1.0,0.6645877595778219,0.6598673840038379,0.21942464532931258,0.2573332876430676,0.45030326913851
EOS-3-24890,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)n2)cn1,FCXMNQQKZFAXBC-UHFFFAOYSA-N,3,1,0.291,8,973,441.846,2.872,6,0.413,0.63,0.742,0.03766020149407169,0.17629017887739018,0.17203241724350626,0.2781851826468371,0.1660419950654513
EOS-3-24892,Cc1nc(COc2cncc3nnc(-c4cc(F)cc(-c5cncn5C)c4)n23)cs1,QECBHMIUSKXUEV-UHFFFAOYSA-N,3,1,0.573,4,677,421.461,3.675,5,0.431,0.73,1.0,0.3735436227811665,0.41940237132478925,0.4169436639024056,0.35284593242409706,0.3906838976081146
EOS-3-24893,Cn1cc(-c2cnc(-c3cncc4nnc(-c5cccnc5-c5ccsc5)n34)nc2)cn1,LYPXVDXOAALUCW-UHFFFAOYSA-N,3,1,0.282,86,967,437.492,3.772,6,0.414,0.65,1.0,0.04793194434925639,0.044796449866355975,0.22288568295524638,0.23086148995956413,0.13661889178260572
EOS-3-24894,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4F)n23)cn1,GRUPTJDIOLLRDZ-UHFFFAOYSA-N,3,1,0.306,98,314,452.457,3.188,6,0.405,0.61,1.0,0.1870845041463916,0.26305599342060176,0.3655763827016654,0.36274929751216506,0.29461654444520596
EOS-3-24895,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cn1,CMFQRZDCCWWDQQ-UHFFFAOYSA-N,3,1,0.442,51,196,419.836,2.609,5,0.427,0.67,1.0,0.5349444863271879,0.5173737235282023,0.18164450688780756,0.18755568501130834,0.35537960043862654
EOS-3-24896,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,QEBDSPZZKZKPIV-UHFFFAOYSA-N,3,1,0.536,36,463,419.836,2.609,5,0.427,0.67,1.0,0.6119697073538483,0.7799585360838873,0.19503461037625933,0.25734185456788433,0.4610761770954698
EOS-3-24897,Cc1ncc(-c2cnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)cn1,MOFLNGHWTNJTHQ-UHFFFAOYSA-N,3,1,0.467,51,969,448.849,3.718,5,0.4,0.64,1.0,0.6175810431087657,0.6356144198478514,0.6020149407168802,0.6009697758892468,0.614045044890686
EOS-3-24898,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)nn5)ccc4F)n23)ccn1,WDVLGUMQWQBXGP-UHFFFAOYSA-N,3,1,0.478,16,772,448.849,3.718,5,0.4,0.64,1.0,0.8011188403810569,0.6794342402851072,0.6524569940374203,0.6277928174902337,0.6902007230484545
EOS-3-24899,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)cn2)n1,NEBUUJZZJMZPME-UHFFFAOYSA-N,3,1,0.273,86,812,422.412,2.997,6,0.454,0.64,0.992,0.1816016722637242,0.16376533479542182,0.11773524775546569,0.10869714207388116,0.14294984922212323
EOS-3-24900,N#Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)nc1,HMZNJUILTZASDB-UHFFFAOYSA-N,3,1,0.689,43,293,457.856,4.491,5,0.383,0.74,1.0,0.9866270303611816,0.9876636282639983,0.8964601466657529,0.9082139675142211,0.9447411932012885
EOS-3-24901,Fc1cc(Oc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)ccc1Cl,LBNDLSVCXYVPJE-UHFFFAOYSA-N,3,1,0.7,13,15,418.819,4.833,5,0.416,0.83,1.0,0.9389349599067919,0.9233174559660065,0.877038928106367,0.8853060105544514,0.9061493386334042
EOS-3-24902,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5Cl)n34)cn2)cn1,OCFJIGIPLADPMW-UHFFFAOYSA-N,3,1,0.33,98,219,469.9,3.098,6,0.386,0.68,1.0,0.137379206360085,0.28353951065725447,0.2658145432115688,0.327239394147077,0.2534931635939963
EOS-3-24903,Clc1cncc(Cl)c1COc1cncc2nnc(-c3cncc(-c4ncccn4)c3)n12,GQBZITKRLJSQAF-UHFFFAOYSA-N,3,1,0.476,2,491,451.277,3.924,5,0.396,0.67,1.0,0.7037985744637105,0.6939637447741759,0.602023507641697,0.677275375231307,0.6692653005277227
EOS-3-24904,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cn5)n34)cn2)n1,DCVOTYHQYFQFSB-UHFFFAOYSA-N,3,1,0.277,86,652,424.388,1.489,6,0.404,0.65,1.0,0.08793091631827839,0.03467891165787129,0.026206223014186826,0.02846789116578713,0.04432098553903091
EOS-3-24905,Cn1c(F)cnc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ncccn4)n23)c1,AXNZIUNIOGHGTI-UHFFFAOYSA-N,3,1,0.512,37,795,434.41,2.882,5,0.405,0.61,1.0,0.6372935371119183,0.5041121239120006,0.3507727366184634,0.35585292303474747,0.4620078301692825
EOS-3-24906,c1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)c2)nc1,BEMDHWODWGTRMF-UHFFFAOYSA-N,3,1,0.256,86,723,418.424,3.095,6,0.463,0.69,0.999,0.09286546501267905,0.09429614145706257,0.25868686176410116,0.257350421492701,0.17579972243163594
EOS-3-24907,Fc1cncc(F)c1COc1cncc2nnc(-c3ccnc(-c4cccnc4F)c3)n12,OWEVOFFTEGKNAP-UHFFFAOYSA-N,3,1,0.494,73,980,435.369,3.64,5,0.389,0.67,1.0,0.8344870125419779,0.7885425947501885,0.857489205674731,0.8383678294839284,0.8297216606127065
EOS-3-24909,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)nn1,AJZOMXYXPPNDBU-UHFFFAOYSA-N,3,1,0.427,53,602,449.837,2.847,5,0.36,0.65,0.402,0.7314611746967309,0.7412189020629155,0.24098759509286546,0.32724796107189363,0.5102289082311013
EOS-3-24910,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(N(C)C(F)F)nc4)n23)nc1,RRYZLPBFWSAPFX-UHFFFAOYSA-N,3,1,0.306,68,457,410.388,2.267,4,0.504,0.76,0.998,0.06321533822219176,0.09733739976697965,0.4428928791720924,0.23671269960934824,0.21003957919265304
EOS-3-24911,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)nc(C)n2)nc1,CDHNRUYKSQTLSL-UHFFFAOYSA-N,3,1,0.433,46,330,428.431,3.373,5,0.393,0.66,1.0,0.6004300596257968,0.40995305325200465,0.34684908505242956,0.28104653553560416,0.40956968336645877
EOS-3-24912,Cc1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)nc(C)n1,UJJVPBAEBVHBMD-UHFFFAOYSA-N,3,1,0.418,92,205,454.454,1.728,5,0.4,0.62,1.0,0.33424713864711125,0.1370279624426016,0.055196696593790694,0.020577753409636076,0.1367623877732849
EOS-3-24913,Cc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3cc(F)ccc3Cl)n12,CBYBNWXAWITZSZ-UHFFFAOYSA-N,3,1,0.483,16,772,449.877,4.267,5,0.398,0.71,1.0,0.697673223219793,0.669642245219656,0.6200654513055993,0.6278013844150504,0.6537955760400247
EOS-3-24914,OCc1cc(Cl)c(Oc2cncc3nnc(-c4ncccc4-c4ccccc4)n23)cn1,FANUHZLKHOFTRU-UHFFFAOYSA-N,3,1,0.353,1,616,430.855,4.186,5,0.446,0.69,1.0,0.5891559865670619,0.5782931258995271,0.6376533479542184,0.6742426838462066,0.6198362860667535
EOS-3-24915,Cc1ncc(F)cc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)c(C)n1,ZCEPDGRFPHMFGV-UHFFFAOYSA-N,3,1,0.447,20,658,442.458,3.416,5,0.394,0.65,0.987,0.6550099376327874,0.6553354807758207,0.26582311013638543,0.21901343293811254,0.44879549037077654
EOS-3-24916,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cc(Cl)ccn5)n4)n23)cc1,RZKZIKLAAWOMGV-UHFFFAOYSA-N,3,1,0.329,98,890,467.884,3.154,6,0.384,0.65,1.0,0.16487903502158865,0.23234356795284763,0.1914793365773422,0.28413919539442123,0.21821028373654994
EOS-3-24917,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cc(F)cnn6)n5)n34)cc2)[nH]n1,DZWAEGGBPHJPRC-UHFFFAOYSA-N,3,1,0.27,98,973,439.418,2.667,6,0.444,0.59,1.0,0.03238297580700432,0.1804622712631074,0.21257110547597835,0.25129360564731684,0.1691774895483517
EOS-3-24918,COc1nc(-c2cn(C)cn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,NYUQUOUUHLPBJW-UHFFFAOYSA-N,3,1,0.467,55,823,448.874,3.223,5,0.39,0.66,0.997,0.6258738263313001,0.4995459529847166,0.33216537591666095,0.2664827633472689,0.4310169796449866
EOS-3-24919,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ncn2)s1,HVZHTOFKFARERZ-UHFFFAOYSA-N,3,1,0.536,44,488,454.878,3.78,5,0.395,0.7,0.358,0.6915992735247756,0.612081077376465,0.3655849496264821,0.44494894112809263,0.5285535604139537
EOS-3-24920,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)nn1,QNNJKDFNDKPTBT-UHFFFAOYSA-N,3,1,0.286,70,957,437.402,2.425,6,0.409,0.58,0.835,0.0059797135220341305,0.09117778082379549,0.1688283873620725,0.23087005688438078,0.12421398464807074
EOS-3-24921,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)c(F)c4)n23)ncn1,UEYFJEHJDSEZHX-UHFFFAOYSA-N,3,1,0.505,11,563,445.433,3.851,5,0.392,0.68,1.0,0.9003666643821534,0.8489822493317799,0.637661914879035,0.6103334247138648,0.7493360633267083
EOS-3-24922,COc1cncnc1COc1cncc2nnc(-c3ccc(Cl)c(-c4nncn4C)c3)n12,FPJLVUATCSWSSI-UHFFFAOYSA-N,3,1,0.446,36,404,449.862,2.618,5,0.385,0.64,1.0,0.5092779795764513,0.6991124665889932,0.21579226920704545,0.20139126859022685,0.4063934959906792
EOS-3-24924,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(-c2ncnn2C)cc1F,NABRFSMYZWSYKJ-UHFFFAOYSA-N,3,1,0.511,89,926,459.445,2.107,5,0.407,0.6,0.991,0.4505431430333767,0.30909464738537457,0.14095161400863546,0.08644883832499486,0.24675956068809538
EOS-3-24925,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ccc(-c4nnc(C)o4)nc3)n12,UPDRDAPAFNCVAP-UHFFFAOYSA-N,3,1,0.33,42,608,463.461,3.677,6,0.373,0.71,1.0,0.2795216229182373,0.1005157288739634,0.2055290932766774,0.14249366047563566,0.18201502638612843
EOS-3-24926,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)nc1,WSQJJYKUMXJJLV-UHFFFAOYSA-N,3,1,0.358,38,983,418.42,3.965,6,0.423,0.76,1.0,0.1870930710712083,0.13331848399698445,0.42065314234802276,0.42292337742443975,0.2909970187101638
EOS-3-24927,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccn1,INAHJZZMJCLYLF-UHFFFAOYSA-N,3,1,0.419,51,624,433.863,3.092,5,0.402,0.64,1.0,0.44106812418614216,0.405275512302104,0.1753563840723734,0.17384860530463986,0.2988871564663148
EOS-3-24928,Cc1nc(-c2ccc(CO)nc2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,IGKKKONFCGEBNB-UHFFFAOYSA-N,3,1,0.435,18,531,440.467,2.461,5,0.406,0.62,1.0,0.42038756767870605,0.21207422383661162,0.20553766020149408,0.14741964224521967,0.24635477349050786
EOS-3-24929,Fc1cnccc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ncn1,WBAYIJMSYCPDFP-UHFFFAOYSA-N,3,1,0.436,18,194,448.849,3.452,5,0.389,0.64,0.659,0.7523130697005003,0.6696508121444726,0.5796295661709273,0.6308512096497841,0.658111164416421
EOS-3-24930,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnnn6C)cn5)n34)ccn2)no1,AGDXOYZPPXALSQ-UHFFFAOYSA-N,3,1,0.26,86,652,437.427,2.402,6,0.404,0.6,1.0,0.03362517990542115,0.03746316222328833,0.05879480501679117,0.05434000411212391,0.04605578781440614
EOS-3-24931,FCCn1cc(-c2cnc(-c3nnc4cncc(OCCc5cncs5)n34)nn2)cn1,YPKZDNCTUWWHFK-UHFFFAOYSA-N,3,1,0.415,92,466,438.452,1.887,5,0.357,0.71,1.0,0.2688986361455692,0.16758618326365568,0.012910355698718389,0.015608937015968749,0.11625102803097802
EOS-3-24932,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5F)nn4)n23)cc1,SPXRMPADKSLVCB-UHFFFAOYSA-N,3,1,0.306,98,39,472.875,3.627,6,0.386,0.74,1.0,0.03929648413405524,0.2223973682406963,0.48156397779453086,0.5798865739154273,0.33078610102117745
EOS-3-24933,Cc1c(Cl)ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cn4)n23)nc1,PMJKKSNFJJHJIF-UHFFFAOYSA-N,3,1,0.436,46,128,448.849,3.718,5,0.375,0.7,0.996,0.655018504557604,0.6502124597354534,0.4815725447193475,0.4911932012884655,0.5694991775752176
EOS-3-24935,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)nc2)c1,FLLKKEZQHFZNED-UHFFFAOYSA-N,3,1,0.31,3,192,452.428,4.584,6,0.42,0.72,1.0,0.2176170241929957,0.36729833458981564,0.8207456651360427,0.8597508738263313,0.5663529744362963
EOS-3-24938,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cncc(-c4ncon4)c3)n12,WYHGWJPNQCJHPX-UHFFFAOYSA-N,3,1,0.464,2,491,424.783,3.003,5,0.419,0.69,1.0,0.6459803988760194,0.5636179836885752,0.5700774450003426,0.592197244876979,0.5929682681104791
EOS-3-24939,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cn5)n34)nc2)n1C,QLHDGTMYCSEZLE-UHFFFAOYSA-N,3,1,0.263,70,652,449.482,2.753,6,0.403,0.61,0.879,0.09998457953532999,0.04480501679117264,0.09391919676512919,0.06651360427660886,0.07630559934206017
EOS-3-24940,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)n2)n(C)n1,JWWHSNJFMHQKJP-UHFFFAOYSA-N,3,1,0.265,76,813,449.482,2.753,6,0.403,0.61,0.998,0.03239154273182099,0.017853471317935715,0.04608148858885614,0.037505996847371666,0.033458124871496124
EOS-3-24941,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c(F)c1,GHXLLWJLZJVZJM-UHFFFAOYSA-N,3,1,0.5,4,31,435.85,3.958,5,0.389,0.7,1.0,0.6916078404495922,0.6794428072099239,0.7450654513055993,0.7431892947707491,0.7148263484339662
EOS-3-24942,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ncc1-c1ccccn1,KVCQWWKQESZQSP-UHFFFAOYSA-N,3,1,0.457,18,904,443.442,3.413,5,0.377,0.64,1.0,0.7812692755808375,0.5636265506133918,0.5056199026797341,0.4133712562538551,0.5659717462819546
EOS-3-24943,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nc2C)n1,QQCCOAYZZSZPNQ-UHFFFAOYSA-N,3,1,0.411,31,122,445.874,3.283,5,0.375,0.67,1.0,0.48167534781714755,0.5041206908368172,0.13166506750736756,0.14500376944691934,0.31561621890206293
EOS-3-24944,Cc1nc(-c2csc(C)n2)cc(-c2nnc3cncc(OCCc4cnccc4F)n23)n1,WPWHWZNOUSKETA-UHFFFAOYSA-N,3,1,0.421,31,330,448.487,3.477,5,0.389,0.68,0.788,0.5298214652868206,0.4413165650058255,0.15933623466520458,0.145012336371736,0.31887165033239667
EOS-3-24945,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)c2)nn1,VSZHYHYHCKOELZ-UHFFFAOYSA-N,3,1,0.415,46,88,448.849,3.718,5,0.4,0.63,0.987,0.4991518744431499,0.5220940991021863,0.5264803646083202,0.5375316976218216,0.5213145089438695
EOS-3-24946,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5c[nH]nn5)cn4)n23)c(F)c1,WIKRKIKNQVKLAX-UHFFFAOYSA-N,3,1,0.372,52,9,455.457,2.594,6,0.403,0.68,1.0,0.09058666301144541,0.222405935165513,0.18819820437255844,0.24525392365156604,0.18661118155027073
EOS-3-24947,Fc1cc(Cl)cnc1-c1ncccc1-c1cncc2nnc(-c3ccc(Cl)cn3)n12,UWVHBUGSUOGWSX-UHFFFAOYSA-N,3,1,0.326,45,575,438.253,4.756,5,0.404,0.72,1.0,0.32400109656637655,0.5041292577616339,0.7475841272016996,0.8711363169076828,0.6117126996093482
EOS-3-24948,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)s2)n(C)n1,ATCTXOUEBPTMIB-UHFFFAOYSA-N,3,1,0.343,98,865,441.48,3.674,6,0.407,0.64,1.0,0.107540607223631,0.11615893358919882,0.06477451853882531,0.06835549311219245,0.0892073881159619
EOS-3-24949,Cc1ccc(-c2nnc3cncc(-c4ccncc4OCc4ccc(F)c(F)c4)n23)nc1,UGJLFBLARLKTKL-UHFFFAOYSA-N,3,1,0.396,59,294,430.418,4.414,5,0.411,0.71,1.0,0.5950157631416627,0.5636351175382085,0.884646357343568,0.8513552875059969,0.7236631313823589
EOS-3-24950,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)nn1,LDPAEPCSZQGELI-UHFFFAOYSA-N,3,1,0.46,51,196,449.837,3.113,5,0.398,0.63,1.0,0.7671424165581523,0.8421801110273456,0.2883455554794051,0.3304177232540607,0.5570214515797409
EOS-3-24951,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)cc(Cl)n4)n23)nn1,VFHCRHKWGCSBCD-UHFFFAOYSA-N,3,1,0.408,58,602,466.292,3.362,5,0.347,0.71,0.998,0.5862003975053115,0.597791446782263,0.20900726475224454,0.31785861147282574,0.4277144301281612
EOS-3-24952,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncn5)n34)c(F)c2)nn1,JTLOONSRXHXGGB-UHFFFAOYSA-N,3,1,0.511,37,563,417.408,2.137,5,0.413,0.73,1.0,0.5167397710917689,0.5041378246864505,0.2586954286889178,0.24253820848468233,0.3805278082379549
EOS-3-24953,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)c2)nc1,UZPYAIGAJWAWNA-UHFFFAOYSA-N,3,1,0.457,2,491,449.837,2.847,5,0.385,0.61,1.0,0.6645963265026387,0.7272205469124803,0.2846018093345213,0.3627578644369817,0.5097941367966554
EOS-3-24954,Cc1cc(C)nc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)n1,SSPBVZQQPHBSGY-UHFFFAOYSA-N,3,1,0.429,46,395,445.874,3.283,5,0.401,0.61,0.757,0.5606195600027414,0.45485230621616063,0.195043177301076,0.19572853128640944,0.3515608937015968
EOS-3-24955,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1F,BDJOZVJGSWPQFJ-UHFFFAOYSA-N,3,1,0.565,35,353,449.877,4.001,5,0.389,0.65,1.0,0.8973682406963196,0.8888184497292851,0.7041412514563772,0.7113974367760949,0.8004313446645193
EOS-3-24956,COc1ncc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1-c1cccnc1,KJNHYHMDOHGNMM-UHFFFAOYSA-N,3,1,0.523,35,657,459.897,3.927,5,0.361,0.76,1.0,0.7434377355904325,0.7758035775478035,0.5535689808786238,0.49430299499691593,0.6417783222534439
EOS-3-24957,COCc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)cn1,OZEHEAJLKHTKRK-UHFFFAOYSA-N,3,1,0.521,11,159,456.481,4.155,5,0.347,0.76,1.0,0.4891714070317319,0.4459255705571928,0.6963196490987595,0.6308597765746008,0.5655691008155712
EOS-3-24958,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)cn2)nc1,FCEFGWCFRWHBMH-UHFFFAOYSA-N,3,1,0.296,32,687,419.408,3.36,6,0.423,0.67,1.0,0.12936913165650057,0.10377116030429717,0.21943321225412926,0.23087862380919746,0.17086303200603112
EOS-3-24959,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ncn2)c1,BXUOHUJDCTZSEP-UHFFFAOYSA-N,3,1,0.457,44,130,427.443,3.712,5,0.382,0.72,0.999,0.767150983482969,0.5931910081557125,0.5535775478034405,0.5108200260434514,0.6061848913713934
EOS-3-24960,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc(-c2ccccn2)n1,JGFDXCYPMUUKTK-UHFFFAOYSA-N,3,1,0.517,58,56,427.443,3.712,5,0.382,0.72,1.0,0.8848947981632513,0.6939723116989925,0.4884946199712151,0.4291857994654239,0.6241368823247208
EOS-3-24961,Fc1ccnc(-c2cnnc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c2)c1,PZQRTRIYLYKPSZ-UHFFFAOYSA-N,3,1,0.394,51,873,449.837,2.847,5,0.385,0.59,1.0,0.6146768555959153,0.5783016928243437,0.2516791172640669,0.3558614899595641,0.45012978891097255
EOS-3-24962,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cn2)n1,NQNUFTANAUAUAW-UHFFFAOYSA-N,3,1,0.307,94,664,452.869,3.544,6,0.373,0.67,0.778,0.01227640326228497,0.13703652936741828,0.4279607292166404,0.47611541361113013,0.26334726886436843
EOS-3-24963,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)nc2)n1,RPMWWOLZBCOSPA-UHFFFAOYSA-N,3,1,0.41,16,412,431.887,4.649,5,0.412,0.83,1.0,0.5553937358645741,0.6120896443012817,0.5432801041738058,0.4882461791515318,0.5497524158727983
EOS-3-24964,Cc1nc(-c2cncn2C)cc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)n1,ARXZBOQBOJCXKI-UHFFFAOYSA-N,3,1,0.418,31,330,445.462,2.754,5,0.393,0.64,0.997,0.42969981495442394,0.25269858131725037,0.184985607566308,0.12707319580563362,0.24861429991090397
EOS-3-24965,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cc6)[nH]5)n34)cn2)nn1,SIYVNGJKEKMPTM-UHFFFAOYSA-N,3,1,0.318,98,407,455.873,3.087,6,0.429,0.65,0.128,0.12359502433006649,0.28879103556987185,0.2158008361318621,0.32392399424302654,0.23802772256870675
EOS-3-24966,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cc1,FLUDUSCLIBPKEO-UHFFFAOYSA-N,3,1,0.318,10,872,454.404,3.169,6,0.374,0.65,1.0,0.02642896305942019,0.18451442670139126,0.5165684325954355,0.6040196011239806,0.33288285587005684
EOS-3-24967,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)ccn2)c1,NYHJYOFXZYNUPS-UHFFFAOYSA-N,3,1,0.5,73,577,451.824,4.154,5,0.396,0.67,1.0,0.7464018915769995,0.8009732026591735,0.8431567404564457,0.8646254540470153,0.8137893221849085
EOS-3-24968,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,HOAZMDVQHNENEL-UHFFFAOYSA-N,3,1,0.477,46,211,418.848,3.214,5,0.432,0.69,1.0,0.37586525940648347,0.3673069015146323,0.44290144609690907,0.4356452607771914,0.40542971694880403
EOS-3-24969,Clc1ccc(-c2cncnc2-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)cc1,MBQDTRLUNSIDNI-UHFFFAOYSA-N,3,1,0.305,94,106,453.853,4.014,6,0.389,0.69,0.997,0.3214567198958262,0.3381450894386951,0.4065348502501542,0.5209032965526694,0.39675998903433624
EOS-3-24970,Clc1cc(-c2cncc(-c3nnc4cncc(OCCC5CCOCC5)n34)c2)ncn1,HKPUAYRNYJAEQX-UHFFFAOYSA-N,3,1,0.467,78,548,437.891,3.492,5,0.422,0.62,1.0,0.3982592008772531,0.3433623466520458,0.044342402851072577,0.21048934274552805,0.2491133232814749
EOS-3-24971,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccc(Cl)cc6)n5)n34)cn2)no1,BJYSPAWHSPHRHX-UHFFFAOYSA-N,3,1,0.361,29,136,468.868,3.717,6,0.376,0.71,1.0,0.2933229387978891,0.4900023987389487,0.14096018093345214,0.21352203413062848,0.28445188815022965
EOS-3-24972,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1nncc(C)n1,JGSYSMPHZXCOPK-UHFFFAOYSA-N,3,1,0.517,4,248,460.885,3.588,5,0.375,0.69,1.0,0.5950243300664794,0.6400692207525187,0.37724453430196697,0.3118017956274416,0.4810349701871016
EOS-3-24973,CCc1ccc(COc2cncc3nnc(-c4ccc(-c5ncco5)c(OC)c4)n23)nn1,PKDPFXOTZWZTPQ-UHFFFAOYSA-N,3,1,0.495,72,224,429.44,3.386,5,0.384,0.68,1.0,0.3711106161332328,0.19784456171612638,0.19842711260365978,0.10018161880611336,0.21689097731478307
EOS-3-24974,COc1cnc(Oc2cncc3nnc(-c4cnc(Cl)c(-c5ncccn5)c4)n23)cn1,JJERAJXPQCSNCQ-UHFFFAOYSA-N,3,1,0.361,2,131,433.819,2.888,5,0.382,0.66,1.0,0.6674062778425056,0.6598759509286547,0.20554622712631074,0.1657956959769721,0.4246560379686108
EOS-3-24975,Fc1cc(COCc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)ccc1Cl,UWNWJIOUSFGLGC-UHFFFAOYSA-N,3,1,0.632,14,433,446.873,4.758,5,0.374,0.78,1.0,0.6004386265506134,0.6991210335138098,0.8940100061681858,0.9036220958124872,0.7742979405112741
EOS-3-24976,Cc1cnc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cn1,XZPUOBPFYXRPNI-UHFFFAOYSA-N,3,1,0.529,36,975,419.836,2.703,5,0.427,0.68,1.0,0.3895894729627853,0.5885391679802618,0.1529967103008704,0.207370982112261,0.33462408333904464
EOS-3-24977,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)nc1,NLENFNLWUKJIHM-UHFFFAOYSA-N,3,1,0.314,86,892,420.4,1.681,6,0.414,0.68,0.976,0.001353574121033514,0.0055942019052840795,0.0494739908162566,0.07002604345144267,0.031611952573504215
EOS-3-24978,c1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccncn5)n4)n23)cc1,BRJWXGLCUAZMCJ-UHFFFAOYSA-N,3,1,0.301,94,342,420.4,1.681,6,0.414,0.68,0.865,0.018992872318552532,0.01786203824275238,0.025126790487286683,0.047717771228839696,0.027424868069357823
EOS-3-24979,Cc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(F)cn5)c4)n23)nn1,DABWLLCKQRPCLW-UHFFFAOYSA-N,3,1,0.454,53,778,429.419,2.502,5,0.401,0.63,1.0,0.6286409430470838,0.6169385237475156,0.17536495099719004,0.18226989239942432,0.40080357754780344
EOS-3-24980,Clc1ccc(-c2ccnc(-c3nnc4cncc(COc5ccccn5)n34)c2)nc1,JQCLVAUNTOEUOE-UHFFFAOYSA-N,3,1,0.394,24,267,415.844,3.876,5,0.43,0.75,1.0,0.3575577410732643,0.43276677403879105,0.49855218970598314,0.5275083955863203,0.45409627510108974
EOS-3-24981,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cnn2)nc1,UWKUVKPDUQAZIU-UHFFFAOYSA-N,3,1,0.416,51,196,435.81,2.805,5,0.41,0.59,1.0,0.6035826879583305,0.635622986772668,0.3321739428414776,0.40681755876910425,0.4945492940853951
EOS-3-24982,Cn1c(CO)nnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,BHHGQGZCOKVDMD-UHFFFAOYSA-N,3,1,0.608,43,372,465.876,3.451,5,0.409,0.69,1.0,0.8486652731135631,0.8669385237475156,0.5432886710986224,0.6337982317867178,0.7231726749366048
EOS-3-24983,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4)n23)n1,NYVKENKOFNQWOU-UHFFFAOYSA-N,3,1,0.553,15,684,429.509,3.943,5,0.404,0.72,1.0,0.7284370502364471,0.6169470906723322,0.17848331163045714,0.12266979644986635,0.41163431224727576
EOS-3-24984,N#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4F)n23)cn1,NSJPEKYWIUFFBK-UHFFFAOYSA-N,3,1,0.466,4,815,425.387,2.628,5,0.417,0.64,1.0,0.7005774107326435,0.8205229250908094,0.6171184291686657,0.5829963676238777,0.680303783153999
EOS-3-24985,Cn1nc(-c2cc(F)ccc2F)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,AXMCWPHVBVESOA-UHFFFAOYSA-N,3,1,0.409,34,877,453.84,4.097,5,0.398,0.69,1.0,0.5140840243986019,0.6598845178534714,0.7566479336577342,0.805599342060174,0.6840539544924954
EOS-3-24986,COc1ncc(F)cc1-c1cncc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,BRKPHNPIMOQHBO-UHFFFAOYSA-N,3,1,0.495,35,657,443.442,3.413,5,0.377,0.68,1.0,0.7494774175861832,0.6356315536974847,0.5330940305667877,0.4260160372832568,0.5860547597834281
EOS-3-24987,c1cncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)s2)c1,YCYCYKIWYQUEPM-UHFFFAOYSA-N,3,1,0.315,94,165,435.476,3.829,6,0.411,0.67,0.976,0.0407442944280721,0.1333270509218011,0.28461037625933794,0.2990799122746899,0.18944040847097526
EOS-3-24988,NC(=O)c1ccc(-c2nnc3cncc(CCc4cc(-c5nnccc5F)ncn4)n23)cn1,ZHORIXYGIQIACY-UHFFFAOYSA-N,3,1,0.359,85,580,442.418,1.456,5,0.412,0.57,1.0,0.24487697895963265,0.2072082105407443,0.05691008155712426,0.058700568843807824,0.14192395997532725
EOS-3-24989,Cc1cnc(-c2cc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)cn5)n34)ccn2)cn1,JNPWHGRCIKNMGU-UHFFFAOYSA-N,3,1,0.321,64,72,461.464,4.215,6,0.384,0.69,1.0,0.20384140908779386,0.30405729559317385,0.4885031868960318,0.5108285929682681,0.37680762113631694
EOS-3-24990,c1ncc(-c2nccnc2-c2nnc3cncc(-c4ncc(-c5cncnn5)cn4)n23)cn1,IQJCGFOKPFJNLA-UHFFFAOYSA-N,3,1,0.232,86,953,433.399,1.347,6,0.393,0.6,1.0,0.06322390514700843,0.021614351312452883,0.037034815982454936,0.04922554999657323,0.04277465560962237
EOS-3-24992,Fc1cc(-c2nccs2)cc(-c2nnc3cncc(OCCc4cnccc4F)n23)n1,NAAFTERBQDBENM-UHFFFAOYSA-N,3,1,0.436,18,181,437.435,3.605,5,0.375,0.71,1.0,0.6230296072921664,0.5041463916112672,0.495022616681516,0.5108371598930848,0.5332589438695086
EOS-3-24993,Cc1cc(C(=O)NC2(F)CC2)ccc1-c1nnc2cncc(-c3ccc(-c4nccn4C)nc3)n12,VVJGBQHHFAVUGW-UHFFFAOYSA-N,3,1,0.287,52,582,468.496,3.752,6,0.394,0.72,0.972,0.18161023918854088,0.16759475018847234,0.212579672400795,0.23372284284833117,0.19887687615653482
EOS-3-24994,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C)nc5C)n34)cn2)n1,YGKXXWSOUXNRFI-UHFFFAOYSA-N,3,1,0.488,24,464,423.48,4.148,5,0.419,0.75,0.999,0.5042149270098005,0.3091032143101912,0.35463641971078064,0.2190219998629292,0.3467441402234254
EOS-3-24995,N#Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cnccn5)n34)c2)ccc1F,PSJVTTBCRNHKDV-UHFFFAOYSA-N,3,1,0.489,4,815,424.399,3.233,5,0.422,0.66,1.0,0.7005859776574601,0.722611541361113,0.6376704818038517,0.5922058118017957,0.6632684531560551
EOS-3-24996,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(F)c(-c4cnccn4)n3)n12,QZFAXBYLIXVPAP-UHFFFAOYSA-N,3,1,0.523,73,877,451.824,4.154,5,0.396,0.68,1.0,0.7980690151463231,0.9377612912069083,0.7947279144678226,0.8303406209307107,0.8402247104379412
EOS-3-24997,Cc1nc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)ncc1F,XGEJLVBNBNNKMB-UHFFFAOYSA-N,3,1,0.505,19,207,446.421,3.246,5,0.392,0.63,1.0,0.7611541361113014,0.6072407648550476,0.4206617092728394,0.4383866767185251,0.5568608217394284
EOS-3-24998,Fc1ccc(Cl)cc1Oc1cncc2nnc(-c3cccc(-c4cnccn4)c3)n12,WKQFIEHHSVCIJD-UHFFFAOYSA-N,3,1,0.524,13,145,418.819,4.833,5,0.416,0.85,1.0,0.7895791926530052,0.8808255088753341,0.8881759303680351,0.9036306627373039,0.8655528236584196
EOS-3-24999,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2C)cn1,MKYPAXXLOCRQDV-UHFFFAOYSA-N,3,1,0.418,95,956,420.383,3.361,5,0.44,0.72,1.0,0.36663011445411553,0.35787471729148107,0.47788020012336374,0.470058597765746,0.4181109074086766
EOS-3-25000,Cc1cnnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)n1,GTYKMWKOCOQKCV-UHFFFAOYSA-N,3,1,0.523,59,630,449.396,3.948,5,0.401,0.65,1.0,0.8321139743677609,0.8009817695839901,0.8431653073812624,0.8343499417449113,0.8276527482694812
EOS-3-25001,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)cn1,DBMRBFIOWSGCOR-UHFFFAOYSA-N,3,1,0.633,91,752,448.889,4.606,5,0.379,0.75,1.0,0.5920944417791789,0.7272291138372969,0.8663388390103488,0.8629977383318485,0.7621650332396682
EOS-3-25002,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3cc(-c4cccnn4)ccn3)n12,PWKQCIKWFQYLSX-UHFFFAOYSA-N,3,1,0.418,59,692,451.824,4.154,5,0.371,0.69,1.0,0.6735230621616065,0.6794513741347405,0.8705109313960661,0.8824446576656844,0.7764825063395244
EOS-3-25003,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4OC(F)(F)F)n23)cn1,XISMGEGSAKRTMK-UHFFFAOYSA-N,3,1,0.353,50,243,451.372,3.307,5,0.406,0.62,1.0,0.614685422520732,0.5931995750805291,0.8052823658419573,0.665487286683572,0.6696636625316976
EOS-3-25004,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)nc(C)n2)cn1,DZTMKVMNPPMHJI-UHFFFAOYSA-N,3,1,0.435,65,851,431.485,2.733,5,0.4,0.68,1.0,0.4227006373792064,0.21208279076142827,0.04136967993968885,0.025597971352203413,0.17543776985813173
EOS-3-25005,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(C(F)(F)F)nc5)ncc4F)n23)cn1,RYIXCJOMSHCZQE-UHFFFAOYSA-N,3,1,0.444,82,243,480.385,3.567,5,0.39,0.77,1.0,0.35756630799808103,0.45913576862449457,0.8998954835172367,0.794667945994106,0.6278163765334797
EOS-3-25006,N#Cc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)nn1,QHRRAIZUGXYCOX-UHFFFAOYSA-N,3,1,0.4,46,128,460.82,2.676,5,0.384,0.63,1.0,0.6459889658008361,0.7885511616750052,0.2846189431841546,0.38840723733808513,0.5268915769995202
EOS-3-25007,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c(F)c2)nn1,LYWLBORDMAHCBX-UHFFFAOYSA-N,3,1,0.53,43,138,451.412,4.243,5,0.384,0.73,1.0,0.7641525597971353,0.7040298814337606,0.9312675621958741,0.8989359879377699,0.8245964978411349
EOS-3-25008,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ncn2)cn1,CNHURVPHCYCGBF-UHFFFAOYSA-N,3,1,0.34,44,238,416.832,3.792,5,0.435,0.76,0.999,0.5529350284421904,0.540333082036872,0.39933863340415326,0.3884158042629018,0.4702556370365294
EOS-3-25009,Cc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ncnn1C,BUFBQMABQXGYAM-UHFFFAOYSA-N,3,1,0.541,15,626,430.447,3.051,5,0.382,0.68,1.0,0.6916164073744089,0.5448821191145227,0.3772531012267836,0.31181036255225825,0.48139049756699337
EOS-3-25010,Cc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)c(Cl)n1,CVLOLBZTMOUQJX-UHFFFAOYSA-N,3,1,0.4,18,157,462.876,3.761,5,0.351,0.75,1.0,0.6490216571859365,0.6450894386950861,0.3582345281337811,0.41649818381193887,0.5172109519566856
EOS-3-25011,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)n(C)n1,DRJNRXFLGGGIPV-UHFFFAOYSA-N,3,1,0.582,72,706,450.409,3.684,5,0.386,0.71,1.0,0.6089541498183811,0.65022102666027,0.605141868274964,0.4943115619217326,0.5896571516688369
EOS-3-25012,Cn1cc(-c2cc(Cc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)ccc2F)nn1,OWICAGSWVYNPLQ-UHFFFAOYSA-N,3,1,0.439,85,476,454.391,3.731,5,0.385,0.68,1.0,0.21762559111781235,0.46789973271194574,0.9391405661023919,0.8795147693783839,0.6260451648276335
EOS-3-25013,COc1ncccc1-c1nnc2cncc(OCc3ccc(F)c(-c4cncn4C)n3)n12,SGGLTIPQMYDNPH-UHFFFAOYSA-N,3,1,0.495,4,677,432.419,2.708,5,0.403,0.62,0.986,0.43870365293674185,0.37690185730930026,0.26231067096155164,0.17115859091220614,0.31226869302995
EOS-3-25014,Cc1ncc(Cc2cncc3nnc(-c4ccc(-c5cccnc5Cl)cc4F)n23)cn1,CYVBVWOWTFHACD-UHFFFAOYSA-N,3,1,0.362,14,81,431.862,4.335,5,0.394,0.72,0.931,0.4458142005345761,0.49955451990953326,0.7475926941265163,0.7736447124940031,0.6166515317661572
EOS-3-25015,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)n1,OQPQZVVAZRCWPR-UHFFFAOYSA-N,3,1,0.511,75,420,430.859,3.313,5,0.378,0.67,1.0,0.7434463025152491,0.7180453704338291,0.2623192378863683,0.2960043862655061,0.5049538242752382
EOS-3-25016,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cc2)nn1C,MAORJVLNNLQULT-UHFFFAOYSA-N,3,1,0.584,89,138,447.449,4.412,5,0.383,0.77,1.0,0.7343310945103145,0.5498423685833733,0.7246333356178466,0.6338067987115346,0.6606533993557673
EOS-3-25017,COc1cc(-c2nnc3cncc(OCc4ncc(-c5noc(C)n5)nn4)n23)ccc1Cl,ORIRXXCJBXUFMP-UHFFFAOYSA-N,3,1,0.451,36,67,451.834,2.576,5,0.376,0.67,1.0,0.5775049688163937,0.7040384483585772,0.07327290795695977,0.08296209992461107,0.35944460626413544
EOS-3-25018,OCc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)nn1,OQFIHRDAPNWJHU-UHFFFAOYSA-N,3,1,0.494,7,420,431.391,1.644,5,0.422,0.63,1.0,0.560628126927558,0.45486087314097734,0.17537351792200673,0.15253409636077034,0.33584915358782813
EOS-3-25019,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3cc(F)c(Cl)nn3)n12,HESZITSMYAOGBW-UHFFFAOYSA-N,3,1,0.5,37,832,466.839,3.591,5,0.374,0.69,1.0,0.8486738400383799,0.8986961140429032,0.6230039065177164,0.6861164416421082,0.764122575560277
EOS-3-25020,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)cc3F)n12,ZTIUPIOPZBZEEN-UHFFFAOYSA-N,3,1,0.573,35,325,421.367,3.136,5,0.412,0.73,1.0,0.8273164964704269,0.7226201082859297,0.6376790487286683,0.6308683434994174,0.7046209992461107
EOS-3-25021,Cn1nc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnn6)cc5F)n34)cn2)o1,YAGGVWNXZDLDBH-UHFFFAOYSA-N,3,1,0.305,70,887,440.402,2.838,6,0.407,0.64,0.952,0.22294565142896305,0.3241381673634432,0.20184531560551025,0.2220032896991296,0.24273310602426154
EOS-3-25022,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccon6)nc5)n34)cn2)cn1,ADWSGCUURKCMKP-UHFFFAOYSA-N,3,1,0.3,70,191,421.424,3.304,6,0.426,0.67,1.0,0.07104550750462614,0.07107977520389282,0.3356949489411281,0.29908847919950654,0.1942271777122884
EOS-3-25023,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccc2F)cn1,PMZCGRPOZJCXMX-UHFFFAOYSA-N,3,1,0.478,4,253,458.844,3.886,5,0.389,0.71,1.0,0.8416660955383456,0.9120262490576383,0.8301949832088273,0.8282502912754438,0.8530344047700638
EOS-3-25024,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)cnc5C)n34)c2)o1,YKARJNLDQVXDLP-UHFFFAOYSA-N,3,1,0.483,72,628,417.404,3.571,5,0.427,0.72,1.0,0.7099153587828113,0.5885477349050785,0.38459495579466796,0.3055993420601741,0.497164347885683
EOS-3-25025,Clc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)n1,POTQSDWLQHHWFV-UHFFFAOYSA-N,3,1,0.489,87,173,430.859,3.313,5,0.378,0.66,1.0,0.6767784935919402,0.7086902885340278,0.29905421150023986,0.3368857514906449,0.5053521862792132
EOS-3-25026,Cc1cc(COc2cncc3nnc(-c4cccc(-c5cnc(CO)cn5)c4)n23)n(C)n1,ZANALPZDPZVORK-UHFFFAOYSA-N,3,1,0.447,4,506,428.456,2.362,5,0.438,0.66,1.0,0.2960043862655061,0.17629874580220684,0.2018538825303269,0.12708176273045027,0.20030969433212253
EOS-3-25027,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)s2)ccn1,ZFWBOZJDGDMUOH-UHFFFAOYSA-N,3,1,0.367,45,730,427.827,4.303,5,0.399,0.74,1.0,0.32146528682064285,0.5593088205057912,0.7064885888561442,0.8282588582002605,0.6038803885957097
EOS-3-25028,Cc1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1ncnn1C,AJMLADGFQDJQFW-UHFFFAOYSA-N,3,1,0.483,13,145,435.85,4.48,5,0.414,0.72,1.0,0.5349530532520047,0.5593173874306079,0.7116030429716949,0.7245733671441299,0.6326117126996094
EOS-3-25029,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6F)nc5)n34)cn2)cn1,CHPQPOXFKDSOAU-UHFFFAOYSA-N,3,1,0.432,42,106,465.427,4.046,6,0.384,0.69,1.0,0.3011188403810568,0.4591443355493112,0.6051504351997807,0.6397094099102186,0.5012807552600919
EOS-3-25030,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cc2)c1,SOHAMGWXSPEJNW-UHFFFAOYSA-N,3,1,0.727,91,660,429.43,4.753,5,0.39,0.78,1.0,0.9785227194846138,0.9544153930505106,0.9043759851963539,0.9060208347611541,0.9358337331231581
EOS-3-25031,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)ncn5)cnn4)n23)cc1,XIPRHQULEYSRFP-UHFFFAOYSA-N,3,1,0.429,89,731,473.884,2.63,5,0.369,0.69,1.0,0.5016876841888835,0.454869440065794,0.32114831060242616,0.2367212665341649,0.37860667534781717
EOS-3-25032,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)cn1,BVEDYOPRSKBSQD-UHFFFAOYSA-N,3,1,0.444,16,379,436.838,3.353,5,0.39,0.68,1.0,0.48917997395654855,0.522102666027003,0.5298814337605373,0.5311065040093208,0.5180676444383524
EOS-3-25033,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)ncc1F,SALNVWMSLREJRD-UHFFFAOYSA-N,3,1,0.43,54,411,429.419,2.502,5,0.401,0.62,0.848,0.623038174216983,0.5358440134329381,0.06893804399972586,0.07774484271126036,0.3263912685902268
EOS-3-25034,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5cnn(C)c5)n(C)n4)n23)cs1,KROXATJOXHUYPA-UHFFFAOYSA-N,3,1,0.44,31,569,421.49,2.312,5,0.415,0.74,0.995,0.11003358234528134,0.010434514426701392,0.025135357412103352,0.012961757247618395,0.039641302857926115
EOS-3-25035,Fc1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)cn1,GFZZCLWLPFFLKA-UHFFFAOYSA-N,3,1,0.38,14,319,432.409,4.916,5,0.369,0.83,1.0,0.42513364402714005,0.5834161469398944,0.9584332807895278,0.9458827359331095,0.7282164519224179
EOS-3-25036,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1,WWOVMKYAPFJLPE-UHFFFAOYSA-N,3,1,0.367,67,789,437.427,2.559,6,0.431,0.61,1.0,0.4203961346035227,0.2990627784250565,0.15300527722568708,0.12267836337468302,0.24878563840723733
EOS-3-25037,CCn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)cc2)n1,ZYRVMMMQHJAWTG-UHFFFAOYSA-N,3,1,0.506,36,447,435.398,2.717,5,0.375,0.68,1.0,0.5831677061202111,0.472251730518813,0.28835412240422176,0.2990970461243232,0.4107176512918923
EOS-3-25038,Cc1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1nccn1C,NSCADTYKQLVOQH-UHFFFAOYSA-N,3,1,0.43,46,910,449.877,4.267,5,0.398,0.69,0.999,0.6646048934274553,0.6072493317798643,0.6314594613117676,0.6278099513398671,0.6327809094647385
EOS-3-25039,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccccn1,HDBQUWXUWIZOGH-UHFFFAOYSA-N,3,1,0.539,11,777,442.454,4.018,5,0.352,0.74,1.0,0.9369045987252416,0.8352237680762113,0.6826040024672744,0.5670875882393256,0.7554549893770133
EOS-3-25040,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cccnc4F)n23)c1,AMWMYWNEROGUHT-UHFFFAOYSA-N,3,1,0.441,65,905,430.447,3.225,5,0.366,0.73,0.998,0.5191727777397026,0.4194109382496059,0.3993472003289699,0.3335874854362278,0.41787960043862654
EOS-3-25041,Cc1cnnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)c2)n1,XLLIWCZXULVVDE-UHFFFAOYSA-N,3,1,0.516,19,442,462.876,3.761,5,0.351,0.73,1.0,0.7371753135494483,0.7545062024535673,0.4317730107600576,0.5007367555342335,0.6060478205743267
EOS-3-25042,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)s4)n23)ccc1Cl,AMCMJUJJNFOBLP-UHFFFAOYSA-N,3,1,0.568,73,242,439.863,4.076,5,0.407,0.7,1.0,0.8885271742855184,0.9177917894592557,0.4429100130217257,0.5345418408608046,0.695942704406826
EOS-3-25043,Cc1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cscn1,ODDLJFAJOVLBRG-UHFFFAOYSA-N,3,1,0.452,49,699,433.472,3.774,5,0.402,0.68,0.997,0.5862089644301282,0.6120982112260983,0.25168768418888354,0.24830374888629977,0.42457465218285245
EOS-3-25044,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)[nH]n1,RYBMSHJZOZIYQX-UHFFFAOYSA-N,3,1,0.658,59,96,436.397,4.486,5,0.439,0.68,1.0,0.8989959564114866,0.8613357549174149,0.9516996778836269,0.940271400178192,0.9130756973476801
EOS-3-25045,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)c1,QRXMBFQUYVRCGT-UHFFFAOYSA-N,3,1,0.571,4,506,417.86,3.819,5,0.432,0.73,1.0,0.4317644438352409,0.5129446233979851,0.6051590021245974,0.6040281680487972,0.5384740593516552
EOS-3-25046,Cc1nc(-c2nnc3cncc(OCc4cc(F)cc(Cl)c4)n23)ccc1-c1cnccn1,YUFSYCLDVHEDIW-UHFFFAOYSA-N,3,1,0.476,46,16,447.861,4.323,5,0.396,0.68,1.0,0.7812778425056541,0.7318895209375642,0.7064971557809608,0.7165889932149956,0.7340633781097936
EOS-3-25047,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)nc1,LBAYTDAKPJJBKG-UHFFFAOYSA-N,3,1,0.506,16,921,447.861,4.323,5,0.396,0.68,1.0,0.8440905352614625,0.7758121444726201,0.7297991912822973,0.7165975601398122,0.7665748577890481
EOS-3-25048,Cc1c(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)nnn1C,XWTYLXCXTOHSRD-UHFFFAOYSA-N,3,1,0.376,52,916,482.523,3.517,6,0.397,0.83,1.0,0.13468919196765128,0.20260777191419369,0.1688369542868892,0.21353060105544514,0.17991612980604482
EOS-3-25049,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)cn5)ncc4F)n23)cc1,FUFUPZFCSOLDCJ-UHFFFAOYSA-N,3,1,0.64,59,232,434.381,4.245,5,0.412,0.66,1.0,0.9818723870879309,0.9673257487492289,0.9140566102391885,0.9150075388938387,0.9445655712425467
EOS-3-25050,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)ccn2)c1,GERLCPNQNRFABE-UHFFFAOYSA-N,3,1,0.5,75,276,450.865,3.396,5,0.391,0.65,1.0,0.7159978754026455,0.6842402851072579,0.529890000685354,0.5240473579603866,0.613543879788911
EOS-3-25051,Fc1cnc(COc2cncc3nnc(-c4ccc(OCc5ccccc5Cl)cc4)n23)cn1,FUDIPXHEFCVUQC-UHFFFAOYSA-N,3,1,0.578,1,881,462.872,4.532,5,0.351,0.8,1.0,0.9415992735247756,0.9252021794256734,0.8464036049619629,0.8282674251250771,0.8853681207593722
EOS-3-25052,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnc5F)c4)n23)cn1,WLXUMEDQJZVQFN-UHFFFAOYSA-N,3,1,0.512,97,91,430.418,4.414,5,0.384,0.78,1.0,0.8903347954218354,0.8386676718525118,0.8916969364676856,0.8513638544308135,0.8680158145432115
EOS-3-25053,Cc1nc(-c2cnnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cs1,JXSBPJIXQPEGKG-UHFFFAOYSA-N,3,1,0.376,51,924,437.876,3.036,5,0.408,0.64,0.954,0.40683469261873756,0.4052840792269207,0.09166609553834555,0.11349461997121513,0.2543198718388048
EOS-3-25054,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc1,YMWKWYFPFAXRLZ-UHFFFAOYSA-N,3,1,0.732,68,305,420.326,3.699,4,0.421,0.69,1.0,0.8440991021862793,0.8808340758001508,0.9491724350627099,0.9001524912617367,0.8935645260777192
EOS-3-25055,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccc4F)n23)cc1F,ZWJDPNILNYQTFS-UHFFFAOYSA-N,3,1,0.667,57,13,433.393,4.85,5,0.397,0.8,1.0,0.9582362415187444,0.9458056336097594,0.9729799191282297,0.9725515728873964,0.9623933417860324
EOS-3-25056,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5c(F)cccc5F)cn4)n23)nc1,RAUMYDNOUFYVID-UHFFFAOYSA-N,3,1,0.316,39,72,468.431,3.384,6,0.387,0.64,0.972,0.18430025358097457,0.257658830786101,0.42458536083887327,0.48532485778904805,0.3379673257487492
EOS-3-25057,Cc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3cncs3)n12,PCTHRSWTIGMOJZ-UHFFFAOYSA-N,3,1,0.494,65,263,434.46,3.169,5,0.401,0.67,1.0,0.7402165718593654,0.6939808786238092,0.11170413268453155,0.1135031868960318,0.4148511925159345
EOS-3-25058,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)c1F,ZENFSWDMGKEERW-UHFFFAOYSA-N,3,1,0.467,44,481,432.394,2.938,5,0.403,0.62,0.989,0.6258823932561168,0.48541909396203137,0.4131056815845384,0.4356538277020081,0.49001524912617367
EOS-3-25059,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)cc2Cl)s1,RQSDIEMHDWOKEZ-UHFFFAOYSA-N,3,1,0.583,72,214,460.91,4.117,5,0.384,0.75,1.0,0.7070968405181276,0.7842419984922212,0.4985607566307998,0.5007453224590501,0.6226612295250498
EOS-3-25060,Cc1nc(-c2cnnc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)c2)ncc1F,RRBGXLDXUYXFFA-UHFFFAOYSA-N,3,1,0.387,73,980,451.372,2.738,5,0.398,0.62,1.0,0.6946919333835926,0.5978000137070797,0.4850507161949147,0.48218936330614764,0.5649330066479337
EOS-3-25061,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(C)c(F)c5F)c4)n23)cc1,KDVDZLNIQBRBNM-UHFFFAOYSA-N,3,1,0.353,62,3,455.468,5.072,5,0.411,0.8,1.0,0.37355218970598314,0.3241467342882599,0.92539065177164,0.882453224590501,0.626385700089096
EOS-3-25062,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5nnnn5C)c4)n23)cc1,RZOUYLQYORAEBD-UHFFFAOYSA-N,3,1,0.489,89,512,476.888,1.969,5,0.364,0.77,1.0,0.5191813446645193,0.44132513193064216,0.10640977314783086,0.08470975258721129,0.2879065005825509
EOS-3-25063,Cn1nc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1ccnc(Cl)c1,CXSFSHUEPFNIHF-UHFFFAOYSA-N,3,1,0.426,31,569,433.863,2.652,5,0.376,0.68,0.964,0.40897642382290456,0.362338085120965,0.2264238229045302,0.2602460420807347,0.31449609348228363
EOS-3-25064,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(C)nc(C)c5F)n34)c2)cn1,AJVBSPYLCGAFTJ-UHFFFAOYSA-N,3,1,0.467,16,606,441.47,4.287,5,0.402,0.68,1.0,0.6826725378658077,0.5310294016859708,0.5631553697484751,0.4229319443492564,0.5499473134123775
EOS-3-25065,Cn1ncc(F)c1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cn1,QMGJTUJBVYRCPU-UHFFFAOYSA-N,3,1,0.294,10,37,456.42,3.113,6,0.401,0.61,1.0,0.02517819203618669,0.1933383592625591,0.3882273319169351,0.4638304434240285,0.26764358165992735
EOS-3-25066,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)n1,FXGQCKYMTXSGGO-UHFFFAOYSA-N,3,1,0.598,1,92,428.883,4.789,5,0.4,0.81,1.0,0.7192019052840792,0.767382290453019,0.6909139195394421,0.6861250085669248,0.7159057809608662
EOS-3-25067,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)c1,KCUOZOBHUNGRSZ-UHFFFAOYSA-N,3,1,0.53,24,786,423.408,3.562,5,0.399,0.71,1.0,0.5477263381536563,0.6842488520320745,0.5127475841272017,0.49737852100609964,0.5605253238297581
EOS-3-25068,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cc(-c5ncc(C)nn5)nn4C)n23)cc1F,BNSAGXJLISJBRV-UHFFFAOYSA-N,3,1,0.406,36,292,460.433,1.976,5,0.417,0.62,0.983,0.47683503529573024,0.3528116647248304,0.08461551641422795,0.04639846480707285,0.24016517031046536
EOS-3-25069,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)cc2)n1,QLDKQEQOPPRAML-UHFFFAOYSA-N,3,1,0.554,37,265,446.421,3.246,5,0.392,0.62,1.0,0.9198906860393393,0.8551333013501473,0.55005654170379,0.5108457268179014,0.7089815639777945
EOS-3-25070,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cccc(-c6cccnn6)n5)n34)cn2)n1C,ONDSJEBQKRCCLM-UHFFFAOYSA-N,3,1,0.286,76,887,447.466,2.809,6,0.401,0.61,0.887,0.05634466451922418,0.02869063121102049,0.04609005551367281,0.05295216229182373,0.0460193783839353
EOS-3-25071,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)nn1,YRHBUWZJMOMTKF-UHFFFAOYSA-N,3,1,0.443,7,185,448.397,2.653,5,0.382,0.64,1.0,0.557946679459941,0.5729473648139264,0.3546449866355973,0.26025460900555136,0.43644840997875395
EOS-3-25072,Cc1ncc(-c2nccn2Cc2cncc3nnc(-c4cnc(Cl)nc4)n23)cc1F,ZJSKXSHHPUVHNI-UHFFFAOYSA-N,3,1,0.303,7,489,421.827,2.989,5,0.411,0.69,1.0,0.2960129531903228,0.3769104242341169,0.30988280446850797,0.3660047289424988,0.3372027277088616
EOS-3-25073,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(C(F)(F)F)c4)n23)cn1,VVWLJLCMBBLPNH-UHFFFAOYSA-N,3,1,0.44,55,45,453.388,2.975,5,0.4,0.63,1.0,0.5529435953670071,0.5041549585360839,0.8207542320608594,0.6714070317318895,0.63731495442396
EOS-3-25074,Fc1cccc(F)c1-c1ccnc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,JSLFSTQGHNIOHC-UHFFFAOYSA-N,3,1,0.393,73,877,451.824,4.154,5,0.396,0.69,1.0,0.6490302241107532,0.6744054554177232,0.7613340415324515,0.8203858542937427,0.7262888938386677
EOS-3-25075,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ncn2)cn1,FLLZPFGTIONTOL-UHFFFAOYSA-N,3,1,0.362,33,53,480.492,2.213,6,0.368,0.77,1.0,0.2504711808649167,0.10377972722911384,0.03315399904050442,0.027491261736687,0.10372404221780548
EOS-3-25076,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccccn5)no4)n23)cc1,TVRNTVWRDBVGNE-UHFFFAOYSA-N,3,1,0.333,38,725,421.424,3.304,6,0.426,0.68,1.0,0.0855321773696114,0.07457508052909327,0.20555479405112742,0.21353916798026182,0.14480030498252347
EOS-3-25077,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(Cl)nn4)n23)cc1,WOZLSTWTGDMJDZ-UHFFFAOYSA-N,3,1,0.435,63,536,407.821,2.919,5,0.542,0.85,1.0,0.6550270714824207,0.4238143376053732,0.14383866767185252,0.20737954903707764,0.357514906449181
EOS-3-25078,Cc1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)nc2)cn1,UUAWTCROHDTICM-UHFFFAOYSA-N,3,1,0.471,51,855,455.482,2.548,5,0.406,0.66,1.0,0.5298300322116373,0.35282023164964704,0.31749880063052566,0.10646117469673086,0.3266525597971352
EOS-3-25079,CCc1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cc2)nnn1C,HVXDLABZPZLYIF-UHFFFAOYSA-N,3,1,0.286,98,154,449.482,2.996,6,0.425,0.63,1.0,0.05975430059625797,0.10052429579878007,0.06084230004797478,0.06492015626070866,0.07151026317593037
EOS-3-25080,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)c(F)c1,YPWQJXDGPFMHQU-UHFFFAOYSA-N,3,1,0.524,20,658,416.42,2.742,5,0.42,0.73,1.0,0.7578901377561511,0.689294770749092,0.3246778836268933,0.2960129531903228,0.5169689363306148
EOS-3-25081,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccn1,QWVPGBNKIBKMRX-UHFFFAOYSA-N,3,1,0.467,24,332,449.877,4.441,5,0.381,0.74,1.0,0.5921030087039956,0.5541172640668905,0.7167260640120622,0.7218319512027962,0.6461945719964362
EOS-3-25082,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,IHOUXYOGJUXAIM-UHFFFAOYSA-N,3,1,0.394,18,658,429.419,2.502,5,0.375,0.65,1.0,0.5802292509080941,0.5041635254609006,0.17204098416832295,0.1579226920704544,0.353589113151943
EOS-3-25083,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccsc6)n5)n34)nc2)cc1,JFGDWJLMPPXNAA-UHFFFAOYSA-N,3,1,0.29,30,301,434.488,4.434,6,0.405,0.73,0.934,0.06688198204372559,0.11031629086423138,0.3098913713933247,0.4068261256939209,0.22347894249880063
EOS-3-25084,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nc1,WBVFLPOETJHWOJ-UHFFFAOYSA-N,3,1,0.506,87,307,447.861,4.057,5,0.387,0.67,1.0,0.8116989925296415,0.8317370296758275,0.6717582756493728,0.7114060037009116,0.7566500753889382
EOS-3-25085,Cn1cnc(-c2ccncc2)c1-c1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,WJIJTDCKHCATQH-UHFFFAOYSA-N,3,1,0.322,38,787,431.463,3.711,6,0.419,0.66,0.991,0.07105407442944281,0.04481358371598931,0.35465355356041395,0.3754797477897334,0.21150023987389488
EOS-3-25086,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4cc(C)n(C)n4)c(C)n3)n12,UTIRVNUXJGEXOB-UHFFFAOYSA-N,3,1,0.448,31,460,443.515,2.867,5,0.398,0.66,0.985,0.2662685902268522,0.13333561784661777,0.042834624083339046,0.015617503940785416,0.11451408402439861
EOS-3-25087,Cn1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ccc2F)cc1=O,NHKLIEIWNJTIMX-UHFFFAOYSA-N,3,1,0.598,13,15,466.835,4.276,5,0.393,0.74,1.0,0.7464104585018162,0.7928774587074224,0.912266122952505,0.9245253923651566,0.8440198581317251
EOS-3-25088,Fc1cc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)ccc1-c1cncnn1,DSWDRTKMNQBSKZ-UHFFFAOYSA-N,3,1,0.375,45,46,421.798,4.242,5,0.433,0.69,1.0,0.4274467137276403,0.7040470152833939,0.9227948735521897,0.9526934411623603,0.7517455109313961
EOS-3-25089,Cn1nc(C(F)(F)F)nc1COc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,BYYWXHSCUAPJMY-UHFFFAOYSA-N,3,1,0.44,27,786,453.388,2.975,5,0.4,0.62,1.0,0.5092865465012679,0.5593259543554245,0.37342368583373314,0.2544633678294839,0.4241248886299774
EOS-3-25090,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1ccncn1,FFAFLWVXRIRNGN-UHFFFAOYSA-N,3,1,0.5,59,89,451.824,4.154,5,0.371,0.71,1.0,0.9614916729490782,0.8941299431156192,0.8999040504420533,0.8963230758686862,0.9129621855938592
EOS-3-25091,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)c1,RWPXWCLWZQULLX-UHFFFAOYSA-N,3,1,0.573,24,389,415.844,3.876,5,0.43,0.76,1.0,0.6916249742992255,0.6744140223425399,0.6286238091974505,0.6742512507710232,0.6672285141525598
EOS-3-25092,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnnc5)c4)n23)cc1,ITPHDDJADOLFBQ-UHFFFAOYSA-N,3,1,0.636,97,232,415.844,3.876,5,0.43,0.76,1.0,0.8665187444314989,0.9406397779453087,0.7221317935713796,0.7405935165512988,0.8174709581248715
EOS-3-25094,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)[nH]c1F,AHLJCXVAMTWYAI-UHFFFAOYSA-N,3,1,0.355,51,924,438.814,2.441,5,0.439,0.62,0.43,0.46675176478651226,0.4679082996367624,0.10641834007264753,0.14250222740045235,0.29589515797409366
EOS-3-25095,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c(F)c2)n1,HPZCBKLVKROTQD-UHFFFAOYSA-N,3,1,0.522,37,589,450.865,3.396,5,0.391,0.63,1.0,0.7343396614351313,0.7842505654170379,0.46064354739222807,0.4973870879309163,0.6191552155438284
EOS-3-25096,Cc1cc(-c2cc(-c3nnc4cncc(OCc5nn(C)cc5F)n34)ccn2)ccc1F,BBLWVXGSPBPROE-UHFFFAOYSA-N,3,1,0.462,4,677,433.422,3.752,5,0.42,0.65,1.0,0.4045387567678706,0.41471626345007195,0.6880439997258584,0.645603454184086,0.5382256185319718
EOS-3-25097,Cc1cc(-c2ncncn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,WKNNQNPQGFDPIC-UHFFFAOYSA-N,3,1,0.512,37,265,462.876,3.761,5,0.375,0.68,1.0,0.9251936125008567,0.8808426427249675,0.6256168185868001,0.607283599479131,0.7597341683229388
EOS-3-25098,COc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ncc(F)cn1,QCSNJNKXQZDEIL-UHFFFAOYSA-N,3,1,0.513,51,196,464.848,3.418,5,0.373,0.67,1.0,0.890343362346652,0.8088376396408745,0.42067027619765607,0.37889795079158384,0.6246873072441916
EOS-3-25099,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cnccn5)c4)n23)nc1,MAGCFQWVKNMNSZ-UHFFFAOYSA-N,3,1,0.255,86,421,433.439,2.501,6,0.412,0.58,0.996,0.06896374477417586,0.02628332533753684,0.15301384415050373,0.14986121581797,0.0995305325200466
EOS-3-25100,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccnc(Cl)c5)n34)c(F)c2)cn1,UJUFDOPCYIWTPU-UHFFFAOYSA-N,3,1,0.459,13,374,421.823,4.172,5,0.405,0.79,1.0,0.5693149886916592,0.7133592625591118,0.8336046192858612,0.8263741347405935,0.7356632513193064
EOS-3-25101,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,UZTSURHHXXAFBR-UHFFFAOYSA-N,3,1,0.333,30,220,435.422,4.709,6,0.396,0.75,1.0,0.29059865670618873,0.3955691864848194,0.7195103145774793,0.7457765060653828,0.5378636659584676
EOS-3-25102,COc1cc(-c2ncc(C)nn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,WMDRRJQPEGGKGR-UHFFFAOYSA-N,3,1,0.5,20,658,441.455,2.372,5,0.371,0.63,1.0,0.4179973956548557,0.15218285244328697,0.09614659721746283,0.0529607292166404,0.17982189363306147
EOS-3-25103,c1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)cn2)cnn1,ZFUIUSVCAQCDFF-UHFFFAOYSA-N,3,1,0.423,71,117,449.438,2.402,6,0.402,0.59,1.0,0.38277876773353436,0.3091117812350079,0.2658316770612021,0.22793160167226373,0.29641345692550203
EOS-3-25104,Fc1cc(F)c(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ncco1,ICBSSDUXJKVQCS-UHFFFAOYSA-N,3,1,0.448,73,196,441.785,3.747,5,0.406,0.68,1.0,0.8167020766225755,0.7364813926392982,0.6636453978479885,0.70009766294291,0.729231632513193
EOS-3-25105,Fc1cc(-c2cccnc2F)cc(-c2nnc3cncc(Cc4ccc(Cl)nc4)n23)c1,BKSFUAXXEKCNHW-UHFFFAOYSA-N,3,1,0.354,14,358,434.837,4.771,5,0.381,0.76,0.997,0.40032382975807,0.5448906860393393,0.932766774038791,0.9481272702350764,0.7065271400178192
EOS-3-25106,Cc1ccc(-c2nnc3cncc(OCc4cn(-c5cncc(F)c5)nn4)n23)cc1Cl,ODFGFWQUYMQFAE-UHFFFAOYSA-N,3,1,0.564,16,772,436.838,3.447,5,0.416,0.66,1.0,0.24232403536426564,0.4591529024741279,0.5890788842437119,0.6397179768350353,0.48256844972928514
EOS-3-25107,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5noc(C)n5)n4)n23)cc1F,MERFBMPOEVILFP-UHFFFAOYSA-N,3,1,0.464,4,788,478.419,2.762,5,0.391,0.74,1.0,0.4716691796312796,0.44593413748200944,0.24437153039544926,0.18492563909259133,0.3367251216503324
EOS-3-25108,COc1ncc(-c2ccc(COc3cncc4nnc(-c5ccnc(F)c5)n34)cc2F)cn1,GFKOWGSOEUJLSY-UHFFFAOYSA-N,3,1,0.566,97,91,447.405,3.509,5,0.365,0.7,1.0,0.8920396134603523,0.6696593790692893,0.7637156466314852,0.6539904735796038,0.7448512781851827
EOS-3-25109,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)cn2)n1,SEIGKEHADXNDHK-UHFFFAOYSA-N,3,1,0.511,65,904,445.874,3.017,5,0.388,0.64,1.0,0.755208690288534,0.8421886779521623,0.21944177917894592,0.2513021725721335,0.5170353299979439
EOS-3-25110,Cc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3cc(F)c(Cl)nn3)n12,VVKNTVFQLVHNTN-UHFFFAOYSA-N,3,1,0.462,37,482,464.892,3.704,5,0.378,0.7,1.0,0.664613460352272,0.6502295935850867,0.3956805565074361,0.40059797135220343,0.5277803954492496
EOS-3-25112,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cn2)n1,YBCSSFQZPCKRIT-UHFFFAOYSA-N,3,1,0.324,86,812,424.384,2.657,6,0.411,0.64,1.0,0.2395654855732986,0.13334418477143445,0.06478308546364198,0.06026831608525804,0.12449026797340826
EOS-3-25113,FCc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)c1,WLPTXDGCFSLREE-UHFFFAOYSA-N,3,1,0.398,65,658,429.419,2.524,5,0.385,0.63,1.0,0.42745528065245697,0.3332533753683778,0.24802104036734973,0.242546775409499,0.31281911794942086
EOS-3-25114,Oc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cc4)c3)n12,NQQWSKZQIMUWFU-UHFFFAOYSA-N,3,1,0.59,11,201,444.882,4.229,5,0.418,0.73,1.0,0.795387567678706,0.7928860256322391,0.7065057227057775,0.7140274826948119,0.7522016996778836
EOS-3-25115,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cn1,QXFHAOJZQSLYLQ-UHFFFAOYSA-N,3,1,0.561,55,69,422.355,3.148,5,0.407,0.73,1.0,0.6674148447673223,0.5310379686107874,0.5828164622027278,0.4607292166403948,0.5604996230553081
EOS-3-25116,COc1ccc(-c2nnc3cncc(OCc4coc(-c5ccc(F)cn5)n4)n23)cn1,UGGPMZQTFOEDGM-UHFFFAOYSA-N,3,1,0.472,24,786,419.376,2.963,5,0.41,0.74,1.0,0.5831762730450277,0.544899252964156,0.32468645055170997,0.22794016859708038,0.4201755362894935
EOS-3-25117,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,FKNOTSDUHLBUIL-UHFFFAOYSA-N,3,1,0.56,35,300,447.861,4.057,5,0.387,0.66,1.0,0.9069374957165376,0.8699883489822493,0.6853111507093413,0.7054605578781441,0.7919243883215681
EOS-3-25118,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)s5)n34)ccn2)cc1,LWXDPIYIHGFGEO-UHFFFAOYSA-N,3,1,0.568,97,71,438.875,4.681,5,0.396,0.79,1.0,0.6521143170447536,0.7545147693783839,0.6582482352134877,0.7327290795695977,0.6994016003015557
EOS-3-25119,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(F)c(C(F)F)c4)n23)nn1,DYVNVOXYBNYHBI-UHFFFAOYSA-N,3,1,0.407,36,706,438.373,3.851,5,0.411,0.67,0.997,0.595032896991296,0.6214447262010828,0.77522102666027,0.7084589815639778,0.6750394078541567
EOS-3-25120,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)nc1,SEEXIJLABLLUTA-UHFFFAOYSA-N,3,1,0.282,99,968,423.404,1.224,6,0.437,0.62,1.0,0.08793948324309506,0.08821362483722843,0.03444760468782126,0.042500514015489,0.06327530669590843
EOS-3-25121,Cc1nc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1-c1ccccc1F,MLFWCHHXJQACCE-UHFFFAOYSA-N,3,1,0.424,34,526,448.408,4.553,5,0.393,0.75,0.999,0.6707302446713728,0.7180539373586458,0.8448358577205126,0.847714344458913,0.770333596052361
EOS-3-25122,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(C)nn5)cc4F)n23)cc1,ZJKUZIIBOLCRBJ-UHFFFAOYSA-N,3,1,0.4,85,357,469.484,2.826,5,0.403,0.59,1.0,0.22295421835377974,0.20261633883901034,0.16242889452402165,0.11351175382084847,0.17537780138441503
EOS-3-25123,CCn1cncc1-c1ccnc(-c2nnc3cncc(Cn4ccnc4-c4ccccc4)n23)c1,JFTVNZWYCXTBFL-UHFFFAOYSA-N,3,1,0.323,6,77,447.506,3.982,6,0.384,0.66,1.0,0.09766294291001303,0.037471729148104996,0.21580940305667878,0.21903056678774588,0.14249366047563566
EOS-3-25124,COc1ncc(Oc2cncc3nnc(-c4cnc(-c5cncnn5)nc4)n23)c(C)c1Cl,UANFYPNILUKIHM-UHFFFAOYSA-N,3,1,0.383,7,489,448.834,2.591,5,0.391,0.63,1.0,0.6343122472757179,0.5593345212802412,0.11774381468028236,0.09213727640326229,0.3508819649098759
EOS-3-25125,FCc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)ccn1,XACOXEFAPHEZBK-UHFFFAOYSA-N,3,1,0.484,4,31,447.861,4.345,5,0.357,0.75,1.0,0.6580083613186211,0.731898087862381,0.6497327119457199,0.642639298197519,0.6705696148310603
EOS-3-25126,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)o6)nc5)n34)cn2)nn1,NINNUVANAICIND-UHFFFAOYSA-N,3,1,0.333,70,392,447.462,3.977,6,0.395,0.66,1.0,0.15124905763827018,0.11032485778904805,0.25870399561373447,0.20738811596189433,0.18191650675073676
EOS-3-25127,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)c1,AERLGXZOZZNPHM-UHFFFAOYSA-N,3,1,0.394,44,194,448.849,3.452,5,0.364,0.67,0.956,0.667423411692139,0.6400777876773354,0.4778887670481804,0.5409670344733054,0.5815892502227401
EOS-3-25129,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(C#N)c5)n34)nc(C)n2)nc1,ULLLXHUQDYASFO-UHFFFAOYSA-N,3,1,0.424,44,348,452.453,3.85,5,0.395,0.64,1.0,0.737183880474265,0.5541258309917072,0.620074018230416,0.5605167569049414,0.6179751216503324
EOS-3-25130,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(F)nn5)n4)n23)c1,CIHIPELEIYUTNA-UHFFFAOYSA-N,3,1,0.308,39,527,455.392,2.564,6,0.394,0.6,0.634,0.0190014392433692,0.10378829415393051,0.16243746144883833,0.2810551024604208,0.14157057432663972
EOS-3-25131,Cn1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)c2)n1,CSBJCBPMIXARCB-UHFFFAOYSA-N,3,1,0.389,53,52,454.376,2.37,5,0.394,0.6,0.995,0.3292526214789939,0.36731546843944896,0.6171269960934823,0.42919436639024056,0.43572236310054147
EOS-3-25132,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cc(-c5nnon5)ncc4F)n23)cc1,ULESRKDVUUYTJN-UHFFFAOYSA-N,3,1,0.349,94,615,456.376,3.034,6,0.39,0.65,0.995,0.3435336851483791,0.3481426906997464,0.4245939277636899,0.5345504077856212,0.4127051778493591
EOS-3-25133,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c(F)c1,MRRLYCCTBNTLDI-UHFFFAOYSA-N,3,1,0.583,37,669,449.877,4.001,5,0.364,0.72,1.0,0.9130457131108217,0.8783325337536838,0.6773353437050237,0.6714155986567062,0.7850322973065589
EOS-3-25134,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)c(C)c5)n34)c2)cn1,KVQOTTHVCMUSBM-UHFFFAOYSA-N,3,1,0.429,14,18,442.91,5.098,5,0.377,0.85,1.0,0.5042234939346172,0.54985093550819,0.7995082585155233,0.7534953053252005,0.6517694983208827
EOS-3-25135,Cc1ccc(-c2nnc3cncc(CCCc4ccc(-c5cnc(F)cn5)cn4)n23)c(F)c1,JENZCRNEKDLVPD-UHFFFAOYSA-N,3,1,0.424,14,81,443.461,4.405,5,0.387,0.71,1.0,0.4768436022205469,0.602306216160647,0.5467754094990063,0.5765369063121102,0.5506155335480776
EOS-3-25136,Fc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ccccn1,LHIDEAFBZDFDGS-UHFFFAOYSA-N,3,1,0.59,1,31,432.846,4.62,5,0.377,0.79,1.0,0.8321225412925776,0.8581916935096977,0.8188266739771092,0.8422914810499623,0.8378580974573367
EOS-3-25137,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)nn1,VMUCWQCTMMQBKR-UHFFFAOYSA-N,3,1,0.407,51,924,434.851,2.487,5,0.396,0.62,0.999,0.34131485162086217,0.37691899115893357,0.05691864848194092,0.07203070385854293,0.2117957987800699
EOS-3-25138,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5csnn5)n4)n23)cn1,GSFZEYZPWWZPEJ-UHFFFAOYSA-N,3,1,0.294,76,14,438.48,3.167,6,0.412,0.63,0.708,0.05445137413474059,0.05966863134809129,0.10127818518264683,0.11352032074566513,0.08222962785278597
EOS-3-25139,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(C)n5)n34)ccn2)n1,UPHSLNBJPNKBGN-UHFFFAOYSA-N,3,1,0.495,24,819,441.47,4.021,5,0.393,0.72,0.999,0.7314697416215475,0.659893084778288,0.4206788431224728,0.3368943184154616,0.5372339969844425
EOS-3-25140,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)cc1,MUJLFPXYPSGFBW-UHFFFAOYSA-N,3,1,0.305,64,449,436.414,3.235,6,0.447,0.6,1.0,0.26890720307038585,0.34337091357686245,0.2954304023027894,0.3820077445000343,0.32242906586251796
EOS-3-25141,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5)no4)n23)nn1,MQTFOZGZZQTCJP-UHFFFAOYSA-N,3,1,0.483,27,52,440.345,3.229,5,0.406,0.67,1.0,0.45285621273387705,0.44133369885545887,0.7566565005825509,0.6009783428140635,0.5629561887464876
EOS-3-25142,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5nc(C)nn5C)cc4)n23)c(-c2ccccc2)n1,JCHDNAASPONMDZ-UHFFFAOYSA-N,3,1,0.351,9,553,459.517,4.328,6,0.387,0.72,1.0,0.13988931533136864,0.05193269823864026,0.1784918785552738,0.17941710643547393,0.13743274964018914
EOS-3-25143,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(C)c5)n34)c2)cn1,QHSOGWNUFNEZAD-UHFFFAOYSA-N,3,1,0.561,15,426,423.48,3.882,5,0.409,0.71,1.0,0.6797683503529574,0.44594270440682615,0.41695223082722227,0.30215543828387365,0.4612046809677198
EOS-3-25144,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccc(F)cc4F)n23)cn1,HFQSAVHYHCFBHJ-UHFFFAOYSA-N,3,1,0.467,4,71,460.404,2.599,5,0.409,0.6,1.0,0.6314851620862175,0.4281492015626071,0.38823589884175175,0.3754883147145501,0.4558396443012816
EOS-3-25147,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncsn5)c4)n23)nc1,GUZITWGQVDXXBZ-UHFFFAOYSA-N,3,1,0.38,33,53,472.494,1.966,6,0.373,0.68,0.922,0.23399698444246453,0.10379686107874718,0.014101158248235213,0.01689397573846892,0.09219724487697896
EOS-3-25148,Cc1cc(-c2nnc3cncc(OCc4cnnc(-c5nnn[nH]5)c4)n23)ccc1Cl,ZMGYPCAYDFXVJS-UHFFFAOYSA-N,3,1,0.495,36,659,420.824,2.302,5,0.454,0.68,1.0,0.6490387910355698,0.7716229182372696,0.2846275101089713,0.34324240970461245,0.5121329072716058
EOS-3-25149,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,QQGGDGLQDRNGOK-UHFFFAOYSA-N,3,1,0.307,70,392,449.453,3.85,6,0.377,0.69,1.0,0.19835001028030977,0.2630645603454184,0.5667706120211089,0.5345589747104379,0.3906860393393188
EOS-3-25150,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)cc1,ROWLTZJKZTVAQS-UHFFFAOYSA-N,3,1,0.351,10,705,451.881,4.149,6,0.397,0.67,0.998,0.03485881707902132,0.19785312864094304,0.47789733397299705,0.5859262559111781,0.32413388390103487
EOS-3-25151,Fc1ccccc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1,NYVUVSSZGYKBOJ-UHFFFAOYSA-N,3,1,0.47,97,969,433.834,4.015,5,0.386,0.73,1.0,0.8037403193749572,0.9287403193749572,0.6989753957919266,0.7560653827702009,0.7968803543280104
EOS-3-25152,COc1cc(-c2nnc3cncc(-c4ccccc4OC(F)(F)F)n23)ccc1Cl,DIKOLURVQZTCAA-UHFFFAOYSA-N,3,1,0.43,48,444,420.778,5.019,4,0.464,0.81,1.0,0.7784850250154205,0.8916284010691522,0.994585703515866,0.9899081625659654,0.913651823041601
EOS-3-25153,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4Cl)n23)nc1,ARAGUUUISJSHNG-UHFFFAOYSA-N,3,1,0.435,51,196,451.277,3.924,5,0.371,0.72,1.0,0.5921115756288123,0.6939894455486258,0.4464738537454595,0.5475121650332396,0.5700217599890344
EOS-3-25154,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)cc1,WPTVNRFRGPDWHF-UHFFFAOYSA-N,3,1,0.313,32,543,453.466,3.968,6,0.395,0.65,0.999,0.14532074566513603,0.2835480775820711,0.33942156123637857,0.44828147488177644,0.30414296484134057
EOS-3-25155,Clc1ccccc1-c1ncnnc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cc3)n12,JHHXQMWXJBGCOC-UHFFFAOYSA-N,3,1,0.351,3,498,464.88,3.816,6,0.383,0.67,1.0,0.15929340004112125,0.2887996024946885,0.3846035227194846,0.5540915632924406,0.34669702213693376
EOS-3-25156,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cn5)n34)n2)cn1,XRHRIVLBDDNLRI-UHFFFAOYSA-N,3,1,0.277,70,387,449.453,3.85,6,0.377,0.67,1.0,0.07674251250771023,0.19334692618737578,0.5432972380234391,0.527516962511137,0.3352259098074155
EOS-3-25157,Fc1ncc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1ccnc(Cl)c1,TVCHEXTUDYFBIC-UHFFFAOYSA-N,3,1,0.479,65,361,448.849,3.452,5,0.364,0.68,1.0,0.8939414707696526,0.869996915907066,0.6409516140086354,0.6596189431841546,0.7661272359673772
EOS-3-25158,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2)nc1,MOOJJGLGSSZYLW-UHFFFAOYSA-N,3,1,0.303,38,57,417.436,3.7,6,0.466,0.71,1.0,0.08794805016791173,0.13704509629223494,0.4065434171749709,0.4196765129189226,0.26280326913851004
EOS-3-25159,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(F)c(F)c5)cn4)n23)nc1,UUVXPOFBJMYLIU-UHFFFAOYSA-N,3,1,0.337,85,580,429.434,4.015,5,0.393,0.74,1.0,0.402465560962237,0.45025186758961006,0.6345264203961346,0.6221814817353163,0.5273563326708245
EOS-3-25161,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(C(F)F)nc5)cnn4)n23)nn1,RGWINSOQTNQAAU-UHFFFAOYSA-N,3,1,0.419,53,52,447.409,3.258,5,0.386,0.64,0.987,0.4339233088890412,0.42815776848742376,0.5092865465012679,0.40683469261873756,0.4445505791241176
EOS-3-25162,Clc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4-n4nccn4)n23)cc1,KPUWCPMHUYBJIZ-UHFFFAOYSA-N,3,1,0.623,16,772,439.266,3.653,5,0.413,0.66,1.0,0.6459975327256527,0.7500685353985334,0.48505928311973134,0.6426478651223357,0.6309433040915633
EOS-3-25163,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)nc4Cl)n23)nc1,UROYGOXJAWICRR-UHFFFAOYSA-N,3,1,0.396,65,510,468.308,3.305,5,0.374,0.71,1.0,0.6175896100335824,0.5310465355356041,0.1530224110753204,0.23373140977314782,0.38384749160441367
EOS-3-25164,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)cnn4)n23)nc1,MHCYXWYGHWZZTN-UHFFFAOYSA-N,3,1,0.448,87,87,432.394,2.938,5,0.377,0.64,1.0,0.5831848399698444,0.5358525803577547,0.5433058049482558,0.5605253238297581,0.5557171372764032
EOS-3-25165,Cn1cncc1-c1cc(-c2nnc3cncc(Cc4ccc(Cl)nc4)n23)cc(Cl)n1,MHMQQHYBFFYENZ-UHFFFAOYSA-N,3,1,0.318,85,81,437.294,3.879,5,0.397,0.69,0.999,0.2065399904050442,0.21209135768624496,0.592274347200329,0.6627030361181551,0.41840218285244335
EOS-3-25166,Cc1ccc(-c2nnc3cncc(CCc4ccc(C(F)F)nc4)n23)cc1Br,NVVHTRYHEPEITM-UHFFFAOYSA-N,3,1,0.438,66,225,444.283,4.98,4,0.436,0.75,1.0,0.4816839147419642,0.5682869577136591,0.9021571516688369,0.8630063052566651,0.7037835823452814
EOS-3-25167,Fc1cc(-c2ccccc2)cnc1-c1nnc2cncc(Cc3ccc(-c4cncnc4)cn3)n12,KBSFTCHGFDMJNU-UHFFFAOYSA-N,3,1,0.3,41,809,460.476,4.435,6,0.375,0.74,1.0,0.29060722363100544,0.3433794805016791,0.605167569049414,0.6512319237886368,0.47259654924268385
EOS-3-25168,Cn1cncc1-c1ncc(F)c(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)n1,GUOATAWUIRUCAQ-UHFFFAOYSA-N,3,1,0.415,7,85,437.826,2.748,5,0.386,0.65,1.0,0.597740045233363,0.6991296004386266,0.27319923240353644,0.314962990884792,0.4712579672400795
EOS-3-25169,Cc1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n(C)n1,JHJZBKKXQQUMMX-UHFFFAOYSA-N,3,1,0.409,53,587,433.863,2.918,5,0.416,0.61,1.0,0.3735607566307998,0.49956308683434997,0.21581796998149544,0.22201185662394626,0.3277384175176479
EOS-3-25170,Cc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,AWRVGDFXNFZWRX-UHFFFAOYSA-N,3,1,0.416,51,924,433.863,2.918,5,0.416,0.61,1.0,0.49163011445411553,0.47226029744362963,0.15303097800013707,0.14502090329655268,0.3154855732986087
EOS-3-25171,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)nn1,FHVNKYHUFDLVLH-UHFFFAOYSA-N,3,1,0.282,76,880,433.439,2.501,6,0.412,0.6,0.839,0.0767510794325269,0.007341854567884313,0.04609862243848948,0.07775340963607703,0.05198624151874444
EOS-3-25172,OCc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)ccn1,XKDVCCBXJCNTCN-UHFFFAOYSA-N,3,1,0.506,73,82,447.405,2.993,5,0.423,0.62,1.0,0.8533256802138305,0.7133678294839284,0.7141045850181619,0.6512404907134535,0.7330096463573436
EOS-3-25173,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccccc5F)c4)n23)cn1,KSNJPPJTRYVTOZ-UHFFFAOYSA-N,3,1,0.299,39,953,454.404,3.169,6,0.399,0.6,0.819,0.006433760537317525,0.10724076485504763,0.3734322527585498,0.4700671646905627,0.2392934857103694
EOS-3-25174,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5F)n(C)n4)n23)c1F,UKCJKLWMAGTEHO-UHFFFAOYSA-N,3,1,0.441,95,965,451.412,3.892,5,0.403,0.68,1.0,0.46448152971009526,0.46791686656157905,0.7947364813926393,0.7713744774175861,0.6246273387704749
EOS-3-25175,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c1F,JLPFTXLNXDBDBV-UHFFFAOYSA-N,3,1,0.53,75,262,432.394,2.938,5,0.403,0.61,1.0,0.8687290110341992,0.7086988554588445,0.5231135631553697,0.497395654855733,0.6494842711260367
EOS-3-25176,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)c1,ZWJPFIHANVKHGO-UHFFFAOYSA-N,3,1,0.424,18,194,432.394,2.938,5,0.403,0.61,0.757,0.6580169282434377,0.5310551024604208,0.5127561510520183,0.5345675416352547,0.559098930847783
EOS-3-25178,Clc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ncc1-c1ccccn1,CYHKGGQFGBIOLY-UHFFFAOYSA-N,3,1,0.558,11,796,429.871,3.918,5,0.404,0.64,1.0,0.7464190254266329,0.7272376807621136,0.40985881707902133,0.4732540607223631,0.5891923959975327
EOS-3-25179,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cn2)nc1,CDWXRHYNSJJOCM-UHFFFAOYSA-N,3,1,0.326,32,191,434.488,4.434,6,0.405,0.71,1.0,0.08554074429442807,0.14824206702761977,0.38088547734905076,0.3916112672195189,0.25156988897265437
EOS-3-25180,Cc1nc(-c2nnc3cncc(OCCc4ccc(C#N)cn4)n23)ccc1-c1cnn(C)c1,NJUHCEAFSDHLSH-UHFFFAOYSA-N,3,1,0.438,31,690,437.467,2.783,5,0.398,0.67,0.999,0.4410766911109588,0.2942395997532726,0.3246950174765266,0.24255534233431567,0.32564166266876843
EOS-3-25181,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cc2Cl)ccn1,MUHYXNBHKKJFNA-UHFFFAOYSA-N,3,1,0.53,4,815,429.871,4.184,5,0.413,0.69,1.0,0.6614608320197382,0.7457593722157494,0.6717668425741896,0.6512490576382701,0.6825590261119868
EOS-3-25182,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ncc(-c5nncn5C)cc4F)n23)cc1,VNSNMTLNSMJEHV-UHFFFAOYSA-N,3,1,0.4,67,789,468.456,3.314,6,0.379,0.71,1.0,0.5504077856212733,0.5310636693852375,0.2773027893907203,0.2337399766979645,0.39812855527379887
EOS-3-25183,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)ccc2F)cn1,QAADUIINEOOVST-UHFFFAOYSA-N,3,1,0.5,7,911,428.431,3.373,5,0.42,0.65,1.0,0.6976817901446097,0.6991381673634433,0.4169607977520389,0.3272565279967103,0.5352593208142006
EOS-3-25184,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)cnn5)n34)cc2F)nc1,YGDYENZCBXTCDI-UHFFFAOYSA-N,3,1,0.494,16,256,428.431,3.373,5,0.42,0.63,1.0,0.6646220272770886,0.6991467342882599,0.37344081968336645,0.3178671783976424,0.5137691899115894
EOS-3-25185,Cn1nccc1-c1nccc(COc2cncc3nnc(-c4ccc(C(=O)NCCF)cn4)n23)n1,JUHMXVOXYBBXPK-UHFFFAOYSA-N,3,1,0.402,33,53,474.46,1.655,5,0.356,0.7,0.992,0.1785175793297238,0.044822150640805976,0.039913302720855325,0.016902542663285586,0.07003889383866768
EOS-3-25186,c1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cc1,KUBBDZUCCSTREW-UHFFFAOYSA-N,3,1,0.418,28,280,459.473,3.679,6,0.368,0.68,1.0,0.5349616201768214,0.36732403536426567,0.3694057980947159,0.33690288534027824,0.40214858474402027
EOS-3-25187,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)nc(C)n2)nc1,REUMTYGTTAKYNR-UHFFFAOYSA-N,3,1,0.407,31,662,427.472,2.881,5,0.421,0.65,0.999,0.2038499760126105,0.07790761428277705,0.06479165238845865,0.029333150572270577,0.0939705983140292
EOS-3-25188,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)cnn4)n23)nc1,NGFAXIOQTPRNGI-UHFFFAOYSA-N,3,1,0.451,53,587,433.382,2.95,5,0.398,0.62,1.0,0.4816924816667809,0.4459512713316428,0.579638133095744,0.5240559248852033,0.5078344527448427
EOS-3-25189,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)n[nH]2)cc1,HUUFEHOPLHDXSP-UHFFFAOYSA-N,3,1,0.489,34,71,438.278,4.462,5,0.436,0.73,0.997,0.49163868137893224,0.5041720923857173,0.745074018230416,0.8383763964087451,0.6448152971009526
EOS-3-25190,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cnn1,MUPKXOZOWXTOLG-UHFFFAOYSA-N,3,1,0.423,20,279,449.837,2.847,5,0.385,0.63,0.944,0.6490473579603866,0.7087074223836611,0.2587125625385512,0.3528544993489137,0.49233046055787816
EOS-3-25191,Fc1cc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)ccn1,DOCFNBRQYUZWRS-UHFFFAOYSA-N,3,1,0.549,34,32,439.863,4.076,5,0.381,0.71,1.0,0.7671595504077856,0.8987046809677198,0.4429185799465424,0.5734699472277431,0.6705631896374478
EOS-3-25192,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)n(C)n1,WTSSUFWLTRUZHX-UHFFFAOYSA-N,3,1,0.61,15,545,429.459,3.656,5,0.41,0.68,1.0,0.679776917277774,0.6169556575971489,0.5366236035912549,0.4670601740799123,0.5751040881365225
EOS-3-25193,N#CCOc1cc(F)ccc1-c1nnc2cncc(-c3nnc(-c4ccccc4)s3)n12,LOYKLPYRGZVILD-UHFFFAOYSA-N,3,1,0.371,96,574,429.44,4.018,5,0.416,0.75,0.997,0.43393187581385784,0.5682955246384758,0.5231221300801864,0.5765454732369268,0.5254737509423617
EOS-3-25194,Cc1ccc(Cl)c(-c2nnc3cncc(OCc4ccnc(-c5cncc(F)c5)c4)n23)n1,PSMFQALBOFMMAB-UHFFFAOYSA-N,3,1,0.396,46,109,447.861,4.323,5,0.396,0.7,1.0,0.7924405455417723,0.6939980124734425,0.6611866904256049,0.6802223973682407,0.7069619114522651
EOS-3-25195,FCc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)ccn1,VBTAOOIESMCJEK-UHFFFAOYSA-N,3,1,0.5,35,234,427.443,3.734,5,0.391,0.69,1.0,0.5635751490644918,0.4854276608868481,0.5631639366732918,0.5075131930642177,0.5299199849222124
EOS-3-25196,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)nn2)n1,QVKKCDPPOIVUBY-UHFFFAOYSA-N,3,1,0.338,38,270,449.453,3.85,6,0.377,0.68,1.0,0.12632787334658352,0.2576673977109177,0.5433143718730724,0.5475207319580563,0.36870759372215745
EOS-3-25197,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc(F)cc(F)c5)nc4)n23)cc1,GWSMESYDVWBNKX-UHFFFAOYSA-N,3,1,0.368,9,192,466.455,4.594,6,0.378,0.77,1.0,0.23957405249811528,0.3141662668768419,0.7684617229799191,0.7901103419916387,0.5280780960866287
EOS-3-25198,Cc1nnc(-c2cncn2C)cc1Oc1cncc2nnc(-c3ccc(C#N)cc3F)n12,NNOOVHVFCQZYTJ-UHFFFAOYSA-N,3,1,0.389,36,706,427.403,3.093,5,0.429,0.66,0.704,0.5273113563155369,0.5834247138647112,0.5331025974916044,0.4790367349736139,0.5307188506613666
EOS-3-25199,Cc1cc(-c2cncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nn3)n12,CQMYVZNTHIWEBF-UHFFFAOYSA-N,3,1,0.283,30,220,444.502,4.624,6,0.394,0.75,0.942,0.08326194229319443,0.014837913782468645,0.5092951134260846,0.5043005962579672,0.2779238914399287
EOS-3-25200,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1F,CCQACGSBAYWAPU-UHFFFAOYSA-N,3,1,0.573,97,929,446.873,4.928,5,0.381,0.82,1.0,0.9358765677472415,0.9626653416489617,0.8480227537523131,0.8562984031252142,0.9007157665684326
EOS-3-25201,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)n5)n34)cn2)n1C,GWEAPZXNJCLEPO-UHFFFAOYSA-N,3,1,0.272,99,601,450.47,2.148,6,0.396,0.6,1.0,0.13217051607155095,0.07108834212870947,0.026214789939003495,0.020586320334452745,0.06251499211842916
EOS-3-25202,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)cn1,LSDVUBYAMXOGQB-UHFFFAOYSA-N,3,1,0.523,68,127,411.372,2.458,4,0.519,0.74,1.0,0.48170104859159757,0.4281663354122404,0.5399133027208554,0.3690973888013159,0.4547195188815023
EOS-3-25203,CCc1cc(-c2ccc(Cl)cn2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,UWYZASZIAKRWCT-UHFFFAOYSA-N,3,1,0.404,18,658,458.913,3.876,5,0.362,0.68,1.0,0.5273199232403536,0.5541343979165239,0.24438009732026592,0.26928414776231924,0.39877964155986567
EOS-3-25205,Fc1cnc(-c2cncnc2)c(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)c1,PJWCHQDTKNQAAC-UHFFFAOYSA-N,3,1,0.279,94,165,449.413,2.696,6,0.395,0.6,0.952,0.25817284627510106,0.30406586251799056,0.33570351586594477,0.36910595572613253,0.3167620450962922
EOS-3-25206,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cn1,QNNOFHWMKMABED-UHFFFAOYSA-N,3,1,0.282,99,286,423.404,1.019,6,0.403,0.65,0.931,0.023087862380919744,0.02869919813583716,0.011402576930984855,0.010691522171201425,0.018470289904735794
EOS-3-25207,N#Cc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5ncon5)c4)n23)ccn1,QNYJZRSRYXMIAP-UHFFFAOYSA-N,3,1,0.518,16,439,414.36,2.826,5,0.426,0.81,1.0,0.6826811047906244,0.5449078198889726,0.6409601809334521,0.5889589472962785,0.614377013227332
EOS-3-25210,FC(F)c1cncc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1,LIEXCVBUNGLROO-UHFFFAOYSA-N,3,1,0.436,46,128,466.839,4.208,5,0.366,0.73,1.0,0.5606366938523748,0.7716314851620862,0.7522788020012336,0.7193132753066959,0.7009650640805977
EOS-3-25211,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cn5)n34)cc2)nn1,QOBFVFJREQIDDE-UHFFFAOYSA-N,3,1,0.293,98,882,433.439,2.799,6,0.445,0.57,1.0,0.08554931121924474,0.10380542800356383,0.18499417449112465,0.18227845932424097,0.13915684325954353
EOS-3-25212,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n(C)n2)n1,GONVHOJUFLJXPS-UHFFFAOYSA-N,3,1,0.293,98,882,425.416,2.037,6,0.416,0.65,1.0,0.06897231169899253,0.05194126516345693,0.03992186964567199,0.04640703173188952,0.05181061956000274
EOS-3-25213,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)no1,LHNSUPGSVWKXTQ-UHFFFAOYSA-N,3,1,0.298,86,812,423.4,2.392,6,0.448,0.62,1.0,0.1648876019464053,0.1717582756493729,0.06085086697279145,0.05434857103694058,0.11296132890137757
EOS-3-25214,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,YFDKVYGDDYNFOY-UHFFFAOYSA-N,3,1,0.512,97,91,432.846,4.62,5,0.377,0.75,1.0,0.8321311082173943,0.8009903365088068,0.890343362346652,0.8989445548625865,0.85560234048386
EOS-3-25215,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(Cl)c(-c5cccnn5)cn4)n23)nc1,GOYVHFFFIPNYEO-UHFFFAOYSA-N,3,1,0.369,85,647,471.912,3.032,5,0.4,0.62,0.999,0.17852614625454047,0.17630731272702352,0.17850044548009047,0.17648721814817353,0.17745528065245703
EOS-3-25216,Cn1cnnc1-c1csc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,XIZATUNGQUFTGY-UHFFFAOYSA-N,3,1,0.562,36,32,423.889,3.881,5,0.426,0.73,1.0,0.7038071413885272,0.8051966965937907,0.38461208964430127,0.46383901034884517,0.589363734493866
EOS-3-25217,Fc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)nc1,NKSACAXSSRDHDN-UHFFFAOYSA-N,3,1,0.539,88,429,448.408,4.287,5,0.386,0.69,1.0,0.9020629154958536,0.8833527516962512,0.9043845521211706,0.9060294016859708,0.8989574052498115
EOS-3-25218,Cn1nc(-c2ccsc2)nc1-c1cncc2nnc(-c3ccc(-c4cccnn4)nc3)n12,OGCJMYRUJVQGNA-UHFFFAOYSA-N,3,1,0.286,99,719,438.48,3.167,6,0.412,0.61,0.349,0.06689054896854225,0.07791618120759372,0.053200603111507094,0.07602289082311013,0.06850755602768831
EOS-3-25219,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)nc5)n34)cn2)n1,QFMTWGIEIQWWRU-UHFFFAOYSA-N,3,1,0.321,86,812,452.413,3.203,6,0.392,0.64,1.0,0.3389075457473785,0.3528287985744637,0.16552155438283875,0.17116715783702283,0.257106264135426
EOS-3-25220,NC(=O)c1ccc(-c2nnc3cncc(-c4ccncc4-c4ccc(F)cc4)n23)cc1,ASXRJBRSHYGWTJ-UHFFFAOYSA-N,3,1,0.44,62,3,410.412,3.758,5,0.486,0.85,1.0,0.3011274073058735,0.2479011034199164,0.7752295935850867,0.7560739496950175,0.5200830135014736
EOS-3-25221,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c(F)c2)n(C)n1,HZPFQHHYMRTMOG-UHFFFAOYSA-N,3,1,0.477,13,145,436.397,4.71,5,0.408,0.77,1.0,0.5092951134260846,0.6991553012130766,0.9085052429579878,0.8893495990679186,0.7515763141662669
EOS-3-25222,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(CO)nn4)n23)c(F)c1,CVTVDLCHTCTTLI-UHFFFAOYSA-N,3,1,0.467,4,208,432.419,2.192,5,0.434,0.63,1.0,0.569323555616476,0.5221112329518196,0.42460249468850664,0.3558700568843808,0.46797683503529575
EOS-3-25223,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cc(Cl)ccn5)nn4)n23)cn1,QUJKZEOCTGDVAV-UHFFFAOYSA-N,3,1,0.291,86,312,455.873,2.883,6,0.398,0.63,0.928,0.012284970187101637,0.12312384346514975,0.1560037009115208,0.23088719073401412,0.13057492632444656
EOS-3-25224,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)n(C)n5)n34)cc2F)n1,WIASURUJPVCCOW-UHFFFAOYSA-N,3,1,0.494,36,404,431.435,2.712,5,0.418,0.62,1.0,0.4274638475772737,0.45487800699061065,0.17850901240490713,0.13139092591323417,0.2980604482215064
EOS-3-25225,Clc1ccc(CCOc2cncc3nnc(-c4cncnc4-c4ncc(Cl)cn4)n23)nc1,YHFSIKDEJVUNAD-UHFFFAOYSA-N,3,1,0.484,65,775,466.292,3.362,5,0.371,0.67,0.999,0.7371924473990816,0.6893033376739086,0.22643238982934685,0.35587862380919744,0.5022016996778836
EOS-3-25226,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncccc4-c4ccco4)n23)cc1,VZBBKSJZUBSKDR-UHFFFAOYSA-N,3,1,0.517,89,731,412.409,3.124,5,0.455,0.83,1.0,0.4768521691453636,0.20262490576382702,0.3846206565691179,0.27210266602700295,0.33405009937632785
EOS-3-25227,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)F)cn5)n34)ccn2)nn1C,RYPVSWXATFUDBP-UHFFFAOYSA-N,3,1,0.511,7,185,449.425,3.202,5,0.389,0.68,0.943,0.3413234185456788,0.3673326022890823,0.3546621204852306,0.27819374957165377,0.3353779727229114
EOS-3-25228,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cc1F,PJFVKNCSKBKVLG-UHFFFAOYSA-N,3,1,0.35,3,783,452.428,4.379,6,0.395,0.68,1.0,0.0242443972311699,0.2120999246110616,0.807381262422041,0.8513724213556302,0.4737745014049757
EOS-3-25229,Cn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,FATSBUPUZPGWLM-UHFFFAOYSA-N,3,1,0.342,8,608,466.896,3.759,6,0.361,0.74,1.0,0.18710163799602494,0.22241450209032965,0.2018624494551436,0.2991056130491399,0.22762105064765953
EOS-3-25230,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(Cl)c1,ABSTXBUDSKPIOJ-UHFFFAOYSA-N,3,1,0.472,4,208,453.293,3.868,5,0.399,0.67,1.0,0.5140925913234186,0.5834332807895278,0.5922829141251457,0.6483106024261531,0.5845298471660614
EOS-3-25231,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5n[nH]c(-c6ccccn6)n5)n34)nc2)n1,JOVOXMJGKKOTHO-UHFFFAOYSA-N,3,1,0.291,99,286,423.404,1.224,6,0.437,0.68,0.078,0.04650126790487287,0.07458364745390994,0.011411143855801522,0.010194640531834692,0.035672674936604754
EOS-3-25232,Cc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)nc(Cl)n1,HIIURRDLGKQFNA-UHFFFAOYSA-N,3,1,0.495,75,241,445.874,3.017,5,0.363,0.7,0.95,0.6580254951682544,0.6450980056199027,0.15601226783633748,0.16301144541155507,0.4055368035090124
EOS-3-25233,CCc1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)ccc1F,ZYHNKSLFMGITAB-UHFFFAOYSA-N,3,1,0.583,1,92,426.455,4.529,5,0.397,0.79,1.0,0.7895877595778219,0.7966212048523063,0.5828250291275444,0.5375402645466384,0.6766435645260778
EOS-3-25234,Cc1ncc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)c(-c2ccccc2)n1,KIRHRKJTTIDNCP-UHFFFAOYSA-N,3,1,0.278,64,365,443.474,4.076,6,0.401,0.65,0.978,0.1128092659858817,0.01787060516756905,0.20187101637996024,0.25131073949695015,0.1459654067575903
EOS-3-25235,Cc1nc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)n1,YSTFTGFARRKTMZ-UHFFFAOYSA-N,3,1,0.304,42,171,443.474,4.076,6,0.401,0.67,1.0,0.1052789390720307,0.11033342471386472,0.4678311973134124,0.4482900418065931,0.2829334007264752
EOS-3-25236,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,FEVHCJZAOKXYJF-UHFFFAOYSA-N,3,1,0.315,38,787,430.475,4.316,6,0.414,0.7,1.0,0.05445994105955726,0.04836029059008978,0.5366321705160716,0.5108542937427181,0.2875766739771092
EOS-3-25237,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cccnc5F)n34)c2)nc1,JFQUQGUHORTRPH-UHFFFAOYSA-N,3,1,0.465,2,491,418.367,2.896,5,0.402,0.74,1.0,0.7895963265026387,0.640086354602152,0.5631725035981084,0.5311150709341375,0.6309925639092592
EOS-3-25238,COCc1nc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)nc4)n23)ncc1F,WEIVFXWKIUOLBB-UHFFFAOYSA-N,3,1,0.311,50,155,432.394,3.13,5,0.39,0.65,1.0,0.4841083544650812,0.4995716537591666,0.36941436501953256,0.38842437118771844,0.4353796861078747
EOS-3-25239,Fc1ccccc1-c1nnc2cncc(-c3nnn(-c4nc(-c5ccccc5)cs4)n3)n12,PDBWENCJLMCBCP-UHFFFAOYSA-N,3,1,0.403,30,158,441.455,3.697,6,0.411,0.67,1.0,0.04226920704543897,0.2630731272702351,0.09615516414227948,0.23672983345898158,0.1595568329792338
EOS-3-25240,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncccn1,VMCQXUHBWYTIRZ-UHFFFAOYSA-N,3,1,0.602,35,325,447.861,4.057,5,0.362,0.71,1.0,0.9725772736618463,0.9681139058323625,0.7014341032143102,0.7140360496196285,0.8390403330820368
EOS-3-25241,Cc1ncc(-c2cnnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)c(C)n1,OKQCQSYYBULHBL-UHFFFAOYSA-N,3,1,0.375,13,251,448.849,4.24,5,0.402,0.68,1.0,0.5746179151531766,0.5834418477143445,0.5767682132821602,0.5830049345486944,0.5794582276745939
EOS-3-25242,Cc1ncc(-c2cc(Cc3cncc4nnc(-c5ccc(F)cc5F)n34)ncn2)cn1,GPRURKXMAZWDMC-UHFFFAOYSA-N,3,1,0.365,85,81,416.395,3.216,5,0.444,0.71,1.0,0.40247412788705367,0.48543622781166473,0.5890874511685286,0.5889675142210952,0.5164913302720856
EOS-3-25243,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4F)n23)ccc1F,DWDMAMIHFQPPOW-UHFFFAOYSA-N,3,1,0.523,34,607,461.407,4.06,5,0.392,0.69,1.0,0.8193749571653759,0.8052052635186073,0.9584418477143445,0.937667055033925,0.8801722808580632
EOS-3-25244,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cc2)nn1,LZNPUSHVKZVLMA-UHFFFAOYSA-N,3,1,0.326,38,193,444.462,3.471,6,0.402,0.61,1.0,0.10528750599684737,0.11034199163868137,0.24802960729216642,0.24256390925913235,0.17655575354670688
EOS-3-25245,Cc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)cn1,DFNSXXZQMJRQRS-UHFFFAOYSA-N,3,1,0.307,38,167,444.462,3.471,6,0.402,0.61,1.0,0.15394763895552052,0.11333184839969844,0.2732077993283531,0.2692927146871359,0.20244500034267698
EOS-3-25246,Cc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1cnnn1C,YZJXFPMGOULPGX-UHFFFAOYSA-N,3,1,0.478,4,506,432.875,3.523,5,0.392,0.71,1.0,0.3758738263313001,0.49001096566376534,0.4246110616133233,0.4165067507367555,0.42675065108628607
EOS-3-25247,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncn6C)cc5F)n34)cn2)n1,FAUSCNZBMCOYOP-UHFFFAOYSA-N,3,1,0.31,42,321,453.441,3.751,6,0.397,0.67,1.0,0.2986686998834898,0.3040744294428072,0.39568912343225277,0.37549688163936673,0.34348228359947913
EOS-3-25249,c1cnnc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)c1,VIOZXSWGZIJNRV-UHFFFAOYSA-N,3,1,0.26,76,272,421.388,1.28,6,0.436,0.62,0.209,0.04227777397025564,0.06366081831265849,0.01768213282160236,0.025606538277020082,0.037306815845384145
EOS-3-25251,CCn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3cc(F)c(F)cc3Cl)n12,GOBKWFKKJZBCJL-UHFFFAOYSA-N,3,1,0.355,22,316,437.841,4.668,5,0.382,0.79,1.0,0.2877373038174217,0.42382290453018984,0.5197381947776026,0.7054691248029608,0.48419188198204377
EOS-3-25252,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ncncc5F)n34)ccc2F)ccc1F,XQHZJDXWKGFFAX-UHFFFAOYSA-N,3,1,0.427,13,417,434.381,4.766,5,0.406,0.74,1.0,0.9416078404495922,0.919642245219656,0.9383352751696251,0.9254848879446234,0.9312675621958741
EOS-3-25253,Fc1cnc(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)cn1,UQCXKYWMMXZKFR-UHFFFAOYSA-N,3,1,0.511,15,846,419.445,3.465,5,0.416,0.73,1.0,0.7160064423274621,0.6991638681378932,0.29543896922760604,0.29298882873003906,0.5008995271057501
EOS-3-25254,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)nn1,YSSXUZUEFGDJBR-UHFFFAOYSA-N,3,1,0.466,53,617,417.82,2.666,5,0.425,0.67,1.0,0.521999862929203,0.6451065725447194,0.23721814817353162,0.2721112329518196,0.41910895414981836
EOS-3-25255,Fc1cncc(-c2cnc(Cc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1,RDIMGZCJOPGITJ-UHFFFAOYSA-N,3,1,0.411,14,81,417.835,4.027,5,0.439,0.71,1.0,0.4317730107600576,0.645115139469536,0.716734630936879,0.8075783016928243,0.6503002707148242
EOS-3-25256,FCCOc1cc(F)c(-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)cn1,HBLUWWVJBNYRFH-UHFFFAOYSA-N,3,1,0.33,50,450,420.383,2.921,5,0.417,0.73,1.0,0.19538585429374272,0.28880816941950516,0.4169693646768556,0.39161983414433554,0.3231958056336097
EOS-3-25257,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)ncn1,APQSNYMREDKJMC-UHFFFAOYSA-N,3,1,0.5,55,390,416.832,3.271,5,0.402,0.76,1.0,0.5425947501884724,0.6794599410595573,0.4606521143170448,0.47007573161537936,0.5381956342951134
EOS-3-25258,Clc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,YUTDKVAOYWIECX-UHFFFAOYSA-N,3,1,0.506,18,840,434.912,4.585,5,0.364,0.79,1.0,0.583193406894661,0.6072578987046809,0.5796467000205606,0.6221900486601329,0.5980720135700089
EOS-3-25259,Cc1ccc(-c2nnc3cncc(Oc4c(F)cc(-c5ccc(F)cn5)cc4F)n23)cn1,DPSRIOLYXPUIAY-UHFFFAOYSA-N,3,1,0.425,13,145,434.381,4.766,5,0.406,0.75,1.0,0.8344955794667946,0.8888270166541018,0.9207816462202728,0.8963316427935029,0.8851089712836681
EOS-3-25260,Cc1ccc(F)cc1COc1cncc2nnc(-c3ccnc(-c4ccc(F)cn4)c3)n12,FFEBYWQFRSPEAX-UHFFFAOYSA-N,3,1,0.536,24,912,430.418,4.414,5,0.411,0.72,1.0,0.9003752313069701,0.7628332533753683,0.8605218970598314,0.8323110136385443,0.8390103488451786
EOS-3-25261,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cnnc(-c4ccccc4F)c3)n12,GPUFVBGLMRRLAA-UHFFFAOYSA-N,3,1,0.552,37,778,430.447,3.051,5,0.408,0.65,1.0,0.4251422109519567,0.4722688643684463,0.28463607703378796,0.2960215201151395,0.3695171681173326
EOS-3-25262,CCn1c(-c2ccncn2)nnc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,ZTHGACCEXYBABH-UHFFFAOYSA-N,3,1,0.394,74,333,412.417,1.626,5,0.459,0.77,1.0,0.12633644027140017,0.04118120759372216,0.016825440339935577,0.013964087451168528,0.04957679391405661
EOS-3-25263,Cc1cc(Oc2ccc(-c3cncc4nnc(-c5cnc(C(F)(F)F)nc5)n34)cn2)nc(C)n1,RMLRXNUWIKTZFW-UHFFFAOYSA-N,3,1,0.295,50,489,465.399,3.861,5,0.39,0.68,1.0,0.6119782742786649,0.6072664656294976,0.6286323761222672,0.36601329586731546,0.5534726029744363
EOS-3-25264,Cc1cnnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)n1,MRJJIPQDPGCCFU-UHFFFAOYSA-N,3,1,0.605,35,393,444.886,3.622,5,0.391,0.62,1.0,0.6947005003084092,0.75007710232335,0.38824446576656846,0.41012439174833804,0.5607866150366665
EOS-3-25265,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)nc1,OJZANYSNHNNTOV-UHFFFAOYSA-N,3,1,0.435,65,773,435.398,2.277,5,0.4,0.63,0.823,0.592120142553629,0.4372729764923583,0.3394301281611953,0.33042629017887737,0.424812384346515
EOS-3-25266,Cn1cncc1-c1nncc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,BYWNMJAHCUIIPW-UHFFFAOYSA-N,3,1,0.315,98,882,436.443,1.839,6,0.406,0.58,1.0,0.05111884038105682,0.023935987937769857,0.053209170036323764,0.05435713796175725,0.04565528407922693
EOS-3-25267,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cncs4)n23)cc(Cl)n1,XOSFTLLENNGFMN-UHFFFAOYSA-N,3,1,0.494,65,359,438.904,3.318,5,0.375,0.68,1.0,0.5635837159893085,0.5310722363100542,0.1409687478582688,0.1685114111438558,0.3510340278253718
EOS-3-25268,COCCc1ccc(-c2nnc3cncc(-c4cc(-c5cnc(C)nn5)ccc4Cl)n23)cn1,AZLYMQMKTZMPJT-UHFFFAOYSA-N,3,1,0.343,82,336,458.913,3.856,5,0.378,0.74,1.0,0.3190836817216092,0.4238314714550065,0.3918939757384689,0.40362209581248715,0.38460780618189294
EOS-3-25269,Fc1cc(CCOc2cncc3nnc(-c4nccnc4-c4ccc(Cl)cc4)n23)ccn1,NLYFYTXCOMHTDT-UHFFFAOYSA-N,3,1,0.548,11,384,447.861,4.057,5,0.362,0.74,1.0,0.8903519292714687,0.8455726132547461,0.5987423754369131,0.6833150572270578,0.7544954937975464
EOS-3-25270,Cc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)n2)n1,BHOWWHVOMVRGMD-UHFFFAOYSA-N,3,1,0.28,98,973,434.467,3.143,6,0.42,0.59,1.0,0.019986635597285998,0.02870776506065383,0.162446028373655,0.14502947022136933,0.08904247481324104
EOS-3-25271,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cn(C)nn5)cn4)n23)c(F)c1,KHLKTNLBPQIIQV-UHFFFAOYSA-N,3,1,0.494,4,677,416.42,3.008,5,0.435,0.74,1.0,0.38049139880748406,0.4995802206839833,0.4537985744637105,0.3916284010691522,0.4313746487560825
EOS-3-25272,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cc1F,DWXBHRASDXTFOP-UHFFFAOYSA-N,3,1,0.5,88,503,448.408,4.287,5,0.386,0.7,1.0,0.8790864231375506,0.8088462065656912,0.9170121993009389,0.9160869714207388,0.8802579501062299
EOS-3-25273,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)nc5)n34)cc2)nn1,JUZMTRHAFGBFMJ-UHFFFAOYSA-N,3,1,0.318,38,727,449.453,3.85,6,0.377,0.69,1.0,0.12634500719621686,0.18047083818792406,0.5093036803509012,0.5144609690905353,0.3326451237063944
EOS-3-25274,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)nn1C,SIFURCNJNQPBIO-UHFFFAOYSA-N,3,1,0.404,92,980,456.297,3.206,5,0.4,0.66,1.0,0.2554057295593174,0.22764032622849703,0.25169625111370025,0.34972757179082997,0.27111746967308614
EOS-3-25275,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)nn1,JGCWPIYXRWOIJW-UHFFFAOYSA-N,3,1,0.394,53,587,432.835,2.369,5,0.408,0.58,0.746,0.3758823932561168,0.4327753409636077,0.1379360564731684,0.14986978274278664,0.2741158933589199
EOS-3-25276,Clc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccncn5)cnn4)n23)n1,ANAPLJKWUXDGRB-UHFFFAOYSA-N,3,1,0.414,53,873,431.847,2.708,5,0.374,0.64,0.777,0.49916044136796656,0.5221197998766363,0.22289424988006304,0.27211979987663626,0.37907357275032555
EOS-3-25277,Cn1cncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)cn2)c1=O,HXAMMXLUJKWVRO-UHFFFAOYSA-N,3,1,0.576,16,772,463.86,3.319,5,0.394,0.64,1.0,0.832139675142211,0.7364899595641149,0.6497412788705367,0.6916935096977589,0.7275161058186553
EOS-3-25278,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cc2)ccn1,CPMOOOWRRMKXEX-UHFFFAOYSA-N,3,1,0.364,93,651,446.449,4.511,6,0.368,0.75,1.0,0.3190922486464259,0.3908916455349188,0.637687615653485,0.7114145706257282,0.5147715201151395
EOS-3-25280,Cn1cc(-c2cc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2Cl)nn1,YQPHVNAQVCJKCO-UHFFFAOYSA-N,3,1,0.356,85,81,452.856,4.164,5,0.398,0.69,0.986,0.20108285929682682,0.3578832842162977,0.8188352409019258,0.8075868686176411,0.5463470632581728
EOS-3-25281,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc2)n1,JJSWBKJKXIRFHR-UHFFFAOYSA-N,3,1,0.418,31,954,445.874,3.017,5,0.363,0.67,0.999,0.5802378178329107,0.679468507984374,0.13794462339798505,0.16580426290178876,0.39086380302926466
EOS-3-25282,c1ccc(-n2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)n2)cc1,UHSYIKHJXRNLNJ-UHFFFAOYSA-N,3,1,0.265,10,871,418.424,2.891,6,0.429,0.68,0.671,0.009337948050167912,0.013475772736618463,0.10389966417654718,0.152542663285587,0.06981401206223015
EOS-3-25283,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)nn2)cc1F,GQWDFCRATBMPAP-UHFFFAOYSA-N,3,1,0.429,54,411,466.839,3.857,5,0.384,0.71,0.833,0.6064697416215475,0.6169642245219656,0.6376961825783017,0.6654958536083887,0.631656500582551
EOS-3-25284,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nn2)n1,ABRMTHDCAOQGEI-UHFFFAOYSA-N,3,1,0.291,99,286,438.419,0.629,6,0.38,0.61,0.999,0.05635323144404085,0.03468747858268796,0.004626139401000617,0.0027499828661503665,0.02460420807346995
EOS-3-25285,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)nn1,MKYXBIMEFQJFJC-UHFFFAOYSA-N,3,1,0.553,4,554,453.89,4.385,5,0.39,0.7,1.0,0.6521228839695703,0.7319066547871976,0.5859605236104448,0.6221986155849496,0.6480471694880406
EOS-3-25286,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5nnc(CF)o5)cn4)n23)cc1,PXBPISDIHUUNKJ-UHFFFAOYSA-N,3,1,0.309,98,890,455.417,2.563,6,0.381,0.62,1.0,0.16211191830580496,0.1560808032348708,0.05520526351860736,0.06836406003700911,0.11044051127407307
EOS-3-25287,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)cc2)nc1,YQFXRQYODHSFLJ-UHFFFAOYSA-N,3,1,0.544,73,82,435.369,3.64,5,0.389,0.66,1.0,0.9657408676581455,0.907931258995271,0.843173874306079,0.8121187718456583,0.8822411932012886
EOS-3-25288,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cc(C)nc(C)n5)nc4)n23)n1,JSGQDYWZJLKFHE-UHFFFAOYSA-N,3,1,0.456,4,464,424.468,3.543,5,0.422,0.7,1.0,0.4387122198615585,0.32855013364402713,0.1882067712973751,0.10440511274073058,0.2649685593859228
EOS-3-25289,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)c1Cl,NKAVWRAEJZXNAH-UHFFFAOYSA-N,3,1,0.435,2,419,430.859,3.579,5,0.416,0.66,1.0,0.5950414639161127,0.6257710232335001,0.5987509423617299,0.5734785141525598,0.5982604859159756
EOS-3-25290,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cnn2)nn1,ZCAAHGACZUXASP-UHFFFAOYSA-N,3,1,0.535,53,226,431.847,2.974,5,0.413,0.6,1.0,0.4003323966828867,0.5358611472825714,0.26232780481118495,0.3021640052086903,0.37517133849633333
EOS-3-25291,COc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ncc(F)n5C)c4)n23)n1,PBGTUBJTGSODJA-UHFFFAOYSA-N,3,1,0.467,4,921,449.421,3.453,5,0.392,0.66,1.0,0.5606452607771915,0.5449163868137893,0.5467839764238229,0.432432663970941,0.5211945719964362
EOS-3-25292,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cncc(-c5cccc(C(F)F)n5)n4)n23)cc1,DOIWXRFVDJJIPS-UHFFFAOYSA-N,3,1,0.415,89,310,474.431,3.733,5,0.395,0.7,1.0,0.8090946473853745,0.472277431293263,0.5890960180933452,0.3975310122678363,0.5669997772599548
EOS-3-25293,COCc1cc(-c2cncc3nnc(-c4ccc(C(=O)O)cn4)n23)cc(-c2ccnnc2)n1,CPCFAMXNFFQCJQ-UHFFFAOYSA-N,3,1,0.243,50,523,440.423,2.55,5,0.418,0.59,0.999,0.18711020492084163,0.00508018641628401,0.27321636625316975,0.15793125899527105,0.1558345041463916
EOS-3-25294,Cc1ccc(-c2nnc3cncc(CCCc4ccc(-c5ncc(Cl)cn5)nc4)n23)nc1,QPJOERVHIPEFMZ-UHFFFAOYSA-N,3,1,0.389,33,580,442.914,4.175,5,0.389,0.68,1.0,0.33660304297169485,0.34815125762456306,0.16245459529847167,0.22794873552189707,0.26878940785415667
EOS-3-25295,Clc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccccn5)c4)n23)nc1,OSCPIAWDEMLSOP-UHFFFAOYSA-N,3,1,0.488,73,210,450.289,4.529,5,0.389,0.73,1.0,0.8395586320334453,0.9009235144952368,0.6438815022959359,0.7406020834761154,0.7812414330751833
EOS-3-25296,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cc(C(F)F)c(F)cc5Cl)n34)nn2)cn1,LNEJFQHQALUTPN-UHFFFAOYSA-N,3,1,0.301,22,844,456.819,4.379,5,0.399,0.68,0.605,0.22030703858542938,0.43278390788842436,0.9271126036597903,0.9214241655815228,0.6254069289287917
EOS-3-25297,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)n[nH]1,VVGHALGQBKBDQO-UHFFFAOYSA-N,3,1,0.378,46,395,419.836,2.907,5,0.461,0.68,0.004,0.5399133027208554,0.4679254334863957,0.3026951545473237,0.31787574532245905,0.4071024090192585
EOS-3-25298,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)nn1,UHYQYWOOYQBUDE-UHFFFAOYSA-N,3,1,0.272,9,270,431.463,4.009,6,0.449,0.63,1.0,0.09287403193749572,0.13705366321705162,0.43178157768487424,0.40684325954355427,0.26713813309574397
EOS-3-25299,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5noc(-c6cccnc6)n5)n34)cn2)c1,VKSGUFAIXFSLNX-UHFFFAOYSA-N,3,1,0.37,32,20,452.865,4.619,6,0.381,0.77,1.0,0.17853471317935715,0.34815982454937977,0.44292714687135903,0.5734870810773764,0.38577719141936806
EOS-3-25300,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)cn1,UXICTLYHOKLEJI-UHFFFAOYSA-N,3,1,0.294,99,952,422.416,1.624,6,0.416,0.63,0.845,0.016242889452402164,0.026291892262353504,0.027302789390720308,0.030284079226920703,0.025030412583099168
EOS-3-25301,Cc1noc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)c5)n34)c2)n1,ZATCYIKMPJCTEJ-UHFFFAOYSA-N,3,1,0.383,46,181,454.372,3.538,5,0.393,0.67,1.0,0.5635922829141251,0.44595983825645946,0.7730021931327531,0.5575183332191077,0.5850181618806113
EOS-3-25302,c1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)n2)nc1,AUIDBJKGFAGXMJ-UHFFFAOYSA-N,3,1,0.31,86,557,420.396,2.755,6,0.419,0.67,1.0,0.17017339455828936,0.12313241038996642,0.09876807621136317,0.10870570899869783,0.1251948975395792
EOS-3-25303,Cc1ccc(-c2nnc3cncc(CCc4cc(F)c(-c5cnc(F)cn5)cn4)n23)cc1,QMVGIFWJZAAKRV-UHFFFAOYSA-N,3,1,0.398,14,886,429.434,4.015,5,0.42,0.65,1.0,0.44801590021245974,0.5834504146391611,0.6377047495031184,0.6426564320471524,0.5779568741004729
EOS-3-25304,COc1cc(-c2nnc3cncc(OCc4ccc(CO)nn4)n23)ccc1-c1cccnn1,ZSLDTNNJNMTXEH-UHFFFAOYSA-N,3,1,0.474,72,224,442.439,2.118,5,0.399,0.64,0.991,0.43872078678637516,0.27337057089986977,0.2694469193338359,0.16851997806867247,0.2875145637721883
EOS-3-25305,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)c(F)c1,NFCZHSCNENDTBW-UHFFFAOYSA-N,3,1,0.293,32,179,467.443,3.989,6,0.387,0.69,1.0,0.17291481049962307,0.2733791378246864,0.6230124734425331,0.6456120211089027,0.4287296107189363
EOS-3-25306,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5nncs5)n34)c2)cn1,VVISFFLEDFBGEJ-UHFFFAOYSA-N,3,1,0.477,15,438,420.433,2.86,5,0.413,0.68,1.0,0.6004471934754301,0.6306113357549175,0.16246316222328833,0.20739668288671098,0.4002295935850867
EOS-3-25307,COc1ccc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(Cl)cc5CO)n34)cn2)cn1,XZMMKIVQIRRGHZ-UHFFFAOYSA-N,3,1,0.327,96,46,462.872,4.209,5,0.417,0.68,1.0,0.5636008498389418,0.7758207113974368,0.8705194983208827,0.842300047974779,0.76306027688301
EOS-3-25308,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)cn4)n23)cn1,YEOPVFAKRBZWKK-UHFFFAOYSA-N,3,1,0.564,4,205,414.404,3.065,5,0.432,0.78,1.0,0.6674319786169557,0.6991724350627099,0.3772616681516003,0.30560790898499074,0.5123684977040641
EOS-3-25309,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c2)cn1,SDSIQHMOUNIQBY-UHFFFAOYSA-N,3,1,0.385,51,65,450.825,2.242,5,0.379,0.6,0.94,0.5891645534918786,0.5885563018298952,0.14675998903433624,0.21049790967034473,0.3837446885066137
EOS-3-25310,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(Cl)cn5)c(F)c4)n23)cn1,WQGJPDZKPZFGTP-UHFFFAOYSA-N,3,1,0.523,55,930,448.849,3.718,5,0.4,0.65,1.0,0.8751970392707834,0.8582002604345145,0.47107806181892947,0.47326262764717975,0.6694344972928518
EOS-3-25311,Cn1ccnc1-c1ccc(Cl)c(-c2nnc3cncc(OCCc4cnccc4F)n23)c1,RSOJKZAOXYVHHB-UHFFFAOYSA-N,3,1,0.547,35,353,449.877,4.001,5,0.389,0.67,1.0,0.8510982797614968,0.8754711808649167,0.685319717634158,0.7054776917277774,0.7793417174970872
EOS-3-25312,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)cn1,GUMVRXUSRQOQQN-UHFFFAOYSA-N,3,1,0.506,13,110,433.834,4.537,5,0.411,0.72,1.0,0.709923925707628,0.7319152217120143,0.7450825851552326,0.7457850729901995,0.7331767013912686
EOS-3-25313,Cc1cc(C)c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2)nn1,BGVBCNJRQCPDSS-UHFFFAOYSA-N,3,1,0.304,38,787,457.501,4.384,6,0.384,0.7,1.0,0.1785432801041738,0.1038139949283805,0.3062247275717908,0.26930128161195255,0.21447082105407442
EOS-3-25314,FC(F)c1cnc(COc2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cn1,NJTLWARTJJKAMA-UHFFFAOYSA-N,3,1,0.494,7,535,433.382,2.95,5,0.398,0.61,1.0,0.5636094167637585,0.5267202385031869,0.4571311082173943,0.3660218627921321,0.478370656569118
EOS-3-25315,Cn1cncc1-c1nccnc1-c1nnc2cncc(OCCc3cccnc3Cl)n12,GYAQBCDTKNFOAZ-UHFFFAOYSA-N,3,1,0.411,31,324,433.863,2.652,5,0.376,0.64,0.636,0.49657323007333287,0.432792474813241,0.12888081694195053,0.17649578507299019,0.30868557672537866
EOS-3-25316,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(C(F)F)n5)n34)c2)ccn1,IGMIESVHHOUHGL-UHFFFAOYSA-N,3,1,0.413,18,160,450.384,3.694,5,0.361,0.7,1.0,0.4940459872524159,0.5783102597491604,0.7730107600575697,0.7084675484887945,0.6384586388869851
EOS-3-25317,Fc1ccccc1-c1nncnc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,IBCNHPUIWYNUDB-UHFFFAOYSA-N,3,1,0.373,22,243,420.358,3.782,5,0.437,0.68,0.388,0.31910081557124254,0.517382290453019,0.7752381605099034,0.7991056130491399,0.6027067198958261
EOS-3-25318,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)c(Cl)cn2)cn1,KWZLSIGVIHCEGC-UHFFFAOYSA-N,3,1,0.461,65,658,445.874,3.017,5,0.388,0.61,1.0,0.5802463847577274,0.6794770749091906,0.19148790350215886,0.2046809677198273,0.41397308272222605
EOS-3-25319,c1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)cc1,GPGDCCROBSRZLU-UHFFFAOYSA-N,3,1,0.377,93,203,418.42,3.965,6,0.423,0.79,1.0,0.18430882050579125,0.14444691933383594,0.29544753615242275,0.3558871907340141,0.245022616681516
EOS-3-25320,Cn1c(-c2ccc(Cl)nn2)nnc1-c1cncc2nnc(-c3cnncc3-c3ccccc3)n12,VIDKOVAEWDRLIV-UHFFFAOYSA-N,3,1,0.338,8,474,467.884,3.154,6,0.384,0.66,0.534,0.15125762456308683,0.26821328216023577,0.08462408333904461,0.21354773490507847,0.17941068124186144
EOS-3-25321,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cn4)n23)nc1,LANQIEIWOJTAGB-UHFFFAOYSA-N,3,1,0.276,70,813,467.884,3.154,6,0.384,0.66,0.636,0.1263535741210335,0.17631587965184017,0.19149647042697554,0.2397025563703653,0.18346712014255362
EOS-3-25322,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c(Cl)cn2)n1,LKBRPFCWVGEFOA-UHFFFAOYSA-N,3,1,0.388,33,760,463.849,1.103,5,0.385,0.64,1.0,0.4180059625796724,0.35283736549928035,0.04610718936330615,0.04369988348982249,0.21516260023302033
EOS-3-25323,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4F)n23)ccc1F,WDCHTAHHPFBFDM-UHFFFAOYSA-N,3,1,0.53,4,71,436.447,4.475,5,0.404,0.75,1.0,0.5921287094784456,0.6794856418340073,0.7800099376327874,0.7457936399150161,0.6993544822150641
EOS-3-25324,CCOc1cc(F)ccc1-c1nnc2cncc(-c3ccc(-c4ncnn4C)cn3)n12,NBANPEFXBYDLLY-UHFFFAOYSA-N,3,1,0.395,50,985,416.42,3.187,5,0.434,0.77,0.991,0.3191093824960592,0.38162223288328423,0.3468576519772463,0.3118189294770749,0.33985204920841616
EOS-3-25325,FC(F)c1cnc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)cn1,WKXUYXUILPUWHF-UHFFFAOYSA-N,3,1,0.519,7,199,438.423,3.616,5,0.396,0.68,1.0,0.5016962511137002,0.5403416489616887,0.46066068124186144,0.36276643136179837,0.4663662531697622
EOS-3-25326,OCc1ccnc(-c2nnc3cncc(-c4ccnnc4-c4ccc(F)cc4F)n23)c1,ORPDQWAAOJSTBF-UHFFFAOYSA-N,3,1,0.304,45,844,417.379,3.081,5,0.479,0.64,0.999,0.28774587074223834,0.37195017476526626,0.777696867932287,0.8034404770063738,0.5602083476115414
EOS-3-25328,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5nccnc5F)c4)n23)c(F)c1,VPPNISVAISVEMG-UHFFFAOYSA-N,3,1,0.5,73,199,436.357,3.035,5,0.414,0.61,1.0,0.694709067233226,0.7133763964087451,0.617135563018299,0.6163302720855321,0.6603878246864505
EOS-3-25330,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cc2)cn1,VEYISNMNROAJAP-UHFFFAOYSA-N,3,1,0.288,32,171,434.488,4.434,6,0.405,0.72,1.0,0.10269172777739703,0.16760331711328902,0.5264889315331369,0.5345761085600713,0.33284002124597356
EOS-3-25331,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)nn1,QIYDUPVFVDSBJQ-UHFFFAOYSA-N,3,1,0.605,59,294,447.861,4.323,5,0.396,0.71,1.0,0.7726595161400863,0.7928945925570557,0.805290932766774,0.7968696456719896,0.7919286717839764
EOS-3-25332,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cc(F)c5)n34)c2)o1,VBQCXVKSVBVPAW-UHFFFAOYSA-N,3,1,0.617,91,655,433.418,4.654,5,0.388,0.77,1.0,0.8990045233363032,0.7412274689877322,0.8497875402645466,0.8075954355424577,0.8244037420327599
EOS-3-25333,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,GXWJCXYHDIUTNA-UHFFFAOYSA-N,3,1,0.452,18,720,428.431,3.107,5,0.406,0.63,1.0,0.6490559248852033,0.5498595024330066,0.409867384003838,0.3497361387156466,0.4896297375094236
EOS-3-25334,Fc1ncccc1-n1cc(-c2cncc3nnc(-c4cccnc4-c4ncccn4)n23)nn1,OBIVLNWMJVWLIU-UHFFFAOYSA-N,3,1,0.266,86,620,437.402,2.425,6,0.382,0.62,1.0,0.0031526283325337538,0.10053286272359674,0.12051093139606607,0.17117572476183948,0.098843036803509
EOS-3-25336,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)cn1,FXORZYDNHHUKDK-UHFFFAOYSA-N,3,1,0.452,4,354,441.842,3.142,5,0.377,0.65,1.0,0.6064783085463642,0.8520063737920636,0.5859690905352615,0.5638664245082585,0.652080049345487
EOS-3-25337,Cc1nc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cc5)n34)nc2)n(C)n1,HGFIFVODPURVGK-UHFFFAOYSA-N,3,1,0.325,42,106,464.468,3.553,6,0.364,0.71,1.0,0.17018196148310602,0.27841648961688714,0.2302275375231307,0.26340723733808513,0.23555830649030224
EOS-3-25338,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5ncncn5)c(Cl)c4)n23)c1,DGODMDGTJXKECM-UHFFFAOYSA-N,3,1,0.585,4,610,451.277,3.924,5,0.396,0.64,1.0,0.6858337331231581,0.805213830443424,0.6497498457953533,0.7193218422315126,0.7150298128983621
EOS-3-25339,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cn4)n23)nc1,OHPRFCDGZUBGAO-UHFFFAOYSA-N,3,1,0.274,39,114,451.429,2.64,6,0.398,0.59,0.987,0.17292337742443972,0.25767596463573433,0.12051949832088274,0.16852854499348913,0.17991184634363647
EOS-3-25340,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)cn2)ccn1,DUUAYJBUCMGBJY-UHFFFAOYSA-N,3,1,0.303,3,150,448.465,4.549,6,0.393,0.7,1.0,0.03240010965663765,0.15977314783085464,0.7141131519429785,0.6861335754917415,0.39810499623055307
EOS-3-25341,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnnc(-c5c[nH]nn5)c4)n23)cc1,FYSQCFKZFRVUBR-UHFFFAOYSA-N,3,1,0.295,39,972,437.402,2.63,6,0.441,0.57,0.999,0.18711877184565828,0.22242306901514633,0.25511445411555067,0.3593139606606812,0.2559925639092591
EOS-3-25342,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)c1F,OWASSRTVMOFOMZ-UHFFFAOYSA-N,3,1,0.484,87,349,434.41,2.882,5,0.405,0.65,1.0,0.5246898773216366,0.4194195051744226,0.5467925433486396,0.5108628606675348,0.5004411966280584
EOS-3-25343,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)nc3)n12,JMHCEXNCFPZLSA-UHFFFAOYSA-N,3,1,0.5,58,904,448.849,3.452,5,0.389,0.64,1.0,0.8973768076211364,0.9333321910766911,0.5433229387978891,0.5734956480021931,0.7368818963744774
EOS-3-25344,Fc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nn5)c4)n23)c1,SGJZXCZCIDVYOL-UHFFFAOYSA-N,3,1,0.479,2,142,448.849,3.452,5,0.389,0.64,1.0,0.792449112466589,0.8167106435473922,0.5767767802069769,0.6163388390103488,0.7005688438078268
EOS-3-25345,Fc1cccnc1CCOc1cncc2nnc(-c3ccnc(-c4ncc(Cl)cn4)c3)n12,KOKOPSGCWRKDMJ-UHFFFAOYSA-N,3,1,0.511,75,420,448.849,3.452,5,0.389,0.64,1.0,0.8395671989582619,0.8167192104722089,0.36559351655129874,0.4292029333150572,0.6127707148242068
EOS-3-25346,FC1(F)CCCN(Cc2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)C1,TZBHDVKKOGTQSN-UHFFFAOYSA-N,3,1,0.557,66,12,470.911,4.65,5,0.408,0.75,1.0,0.6888578575834419,0.5932081420053458,0.4028939072030704,0.6627116030429717,0.5869178774587074
EOS-3-25347,Cc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)cc(-c2ccc(F)cc2F)n1,LMTFBNXDUJQXSK-UHFFFAOYSA-N,3,1,0.584,11,275,444.445,4.456,5,0.385,0.74,1.0,0.8885357412103352,0.8582088273593311,0.7522873689260503,0.7327376464944144,0.8079423959975327
EOS-3-25348,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nn2)n(C)n1,NERFTAIDFNZGSR-UHFFFAOYSA-N,3,1,0.306,99,14,449.482,2.753,6,0.403,0.62,0.974,0.0832705092180111,0.044830717565622645,0.07759920498937702,0.0602768830100747,0.06649432869577138
EOS-3-25349,Cn1nccc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,VQEMWYRXDXCSQX-UHFFFAOYSA-N,3,1,0.438,46,915,435.85,3.958,5,0.415,0.64,1.0,0.5921372764032623,0.6356401206223015,0.7707576588307861,0.7736532794188198,0.6930470838187923
EOS-3-25350,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)nc1,OYJWOMINRLYZFW-UHFFFAOYSA-N,3,1,0.545,72,202,429.871,3.918,5,0.404,0.63,1.0,0.7038157083133438,0.779967103008704,0.6051761359742307,0.6397265437598519,0.6821713727640326
EOS-3-25351,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)cc1,LJDILNYINSRSCS-UHFFFAOYSA-N,3,1,0.38,32,20,445.461,5.116,6,0.375,0.83,1.0,0.28228873963402096,0.46368480570214515,0.7684702899047358,0.7968782125968062,0.577830511959427
EOS-3-25352,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCc3ccc(CO)nn3)n12,AVWLACMEHNINRQ-UHFFFAOYSA-N,3,1,0.418,36,638,445.443,1.457,5,0.392,0.69,1.0,0.2229627852785964,0.12314097731478309,0.1467685559591529,0.0760314577479268,0.1422259440751148
EOS-3-25353,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cn2)nn1,VUGDJOXJIUUSIQ-UHFFFAOYSA-N,3,1,0.49,87,779,447.409,2.641,5,0.387,0.63,1.0,0.7578987046809678,0.7842591323418545,0.24803817421698307,0.260263175930368,0.5126147967925433
EOS-3-25354,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)cc1F,MXZVIJDMTKDQPU-UHFFFAOYSA-N,3,1,0.429,54,873,432.394,2.938,5,0.403,0.6,0.998,0.6373021040367349,0.5041806593105339,0.4917414844767322,0.5108714275923515,0.5360239188540882
EOS-3-25355,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccnn5)c4)n23)cc1,MVOHYFBMHDWTNI-UHFFFAOYSA-N,3,1,0.615,72,659,416.832,3.271,5,0.43,0.7,1.0,0.9252021794256734,0.9554005894044274,0.4743677609485299,0.5444623397985059,0.7248582173942841
EOS-3-25356,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5)cn4)n23)cc1,DXGGPZBOEPENMY-UHFFFAOYSA-N,3,1,0.478,89,637,479.5,2.956,6,0.379,0.84,1.0,0.4644900966349119,0.17176684257418956,0.2954561030772394,0.23673840038379823,0.2921128606675348
EOS-3-25357,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)nc1F,MWUKHRAJNFEUOJ-UHFFFAOYSA-N,3,1,0.394,46,223,438.373,2.978,5,0.389,0.64,1.0,0.682689671715441,0.5978085806318963,0.5987595092865465,0.570351586594476,0.61240233705709
EOS-3-25358,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C#N)cc5)n34)c(C)c2)n1,QOSLKYVOAMBQAP-UHFFFAOYSA-N,3,1,0.476,89,451,421.464,4.473,5,0.425,0.82,1.0,0.592145843328079,0.45916146939894453,0.6662497429922555,0.547529298882873,0.566271588650538
EOS-3-25359,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)cc1F,LDPIPUWFLZVWLL-UHFFFAOYSA-N,3,1,0.5,37,795,465.88,3.274,5,0.36,0.7,1.0,0.6460060996504695,0.6306199026797341,0.14384723459666918,0.21355630182989513,0.408507384689192
EOS-3-25360,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)nn5C)n34)cn2)nc1,SYHFVCFBBDTKDF-UHFFFAOYSA-N,3,1,0.429,92,185,433.863,2.918,5,0.416,0.65,1.0,0.3575748749228977,0.4854447947364814,0.15003255431430335,0.13794462339798505,0.28274921184291685
EOS-3-25361,Cc1cc(-c2nnc3cncc(OCc4cnc(C5=CCOOC5)cn4)n23)ccc1Cl,CRUJXUPNMZAAAG-UHFFFAOYSA-N,3,1,0.472,90,636,436.859,3.467,5,0.439,0.65,0.999,0.6286495099719005,0.6940065793982592,0.485067850044548,0.4292115002398739,0.5592338599136454
EOS-3-25362,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cnnnc5)ncn4)n23)cc1,XGABXLJQAPABSY-UHFFFAOYSA-N,3,1,0.307,98,882,434.427,1.896,6,0.404,0.57,1.0,0.04517339455828936,0.019412651634569254,0.14097731478308545,0.1355373175245014,0.08527516962511136
EOS-3-25363,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)no2)n(C)n1,DNILXRGDGKPFNR-UHFFFAOYSA-N,3,1,0.245,86,165,437.427,2.402,6,0.404,0.6,0.505,0.04794051127407306,0.019421218559385924,0.041378246864505516,0.04370845041463916,0.03811210677815091
EOS-3-25364,OCc1cc(F)ccc1-c1nnc2cncc(-c3cnc(-c4cncc(F)c4)cn3)n12,YLOOQWNIRSXRSW-UHFFFAOYSA-N,3,1,0.321,50,155,417.379,3.081,5,0.479,0.66,1.0,0.37589096018093343,0.5310808032348708,0.7884483585772051,0.8076040024672744,0.6257560311150709
EOS-3-25365,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4OC)n23)nc1,RTIXQWGXMCECGB-UHFFFAOYSA-N,3,1,0.396,33,457,409.381,1.668,4,0.511,0.8,0.743,0.4667603317113289,0.32415530121307656,0.19843567952847646,0.08297066684942773,0.2680804948255774
EOS-3-25366,Cn1ncnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,OANRYUVTVOVDAT-UHFFFAOYSA-N,3,1,0.511,27,45,435.398,2.893,5,0.401,0.62,0.907,0.5273284901651704,0.41942807209923927,0.46783976423822904,0.3558957576588308,0.4426230210403674
EOS-3-25367,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)[nH]2)c1,KBRWEOJOJMWJBC-UHFFFAOYSA-N,3,1,0.375,3,867,451.881,4.354,6,0.424,0.71,1.0,0.17557912411760673,0.3285587005688438,0.4743763278733466,0.595212802412446,0.3934317387430608
EOS-3-25369,Cc1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5ccnc(Cl)c5)n4)n23)cn1,HSUQMTHSDFPQCA-UHFFFAOYSA-N,3,1,0.451,55,390,448.849,3.718,5,0.375,0.7,1.0,0.6767870605167569,0.762841820300185,0.5056284696045508,0.49740422178054966,0.6106653930505106
EOS-3-25370,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)cn1C,DRMVYRHTGVBCSO-UHFFFAOYSA-N,3,1,0.527,75,819,446.902,3.565,5,0.393,0.66,1.0,0.6614693989445548,0.6553440477006374,0.2694554862586526,0.25131930642176686,0.45939705983140294
EOS-3-25371,Fc1c(Cl)cccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n1,QHKONAMEUWVUBH-UHFFFAOYSA-N,3,1,0.302,3,158,469.871,4.289,6,0.379,0.75,1.0,0.07482352134877664,0.3241638681378932,0.5056370365293674,0.6655044205332054,0.39253221163731067
EOS-3-25373,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c(F)c2)nn1,ZPLSLGBMUFBWRQ-UHFFFAOYSA-N,3,1,0.46,13,145,451.824,4.676,5,0.392,0.74,1.0,0.7868806113357549,0.8783411006785005,0.8529915701459804,0.8726869302994997,0.8477250531149338
EOS-3-25374,Cc1nc(-c2nncn2C)cc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)n1,JWVAUFGYHGYPGL-UHFFFAOYSA-N,3,1,0.325,98,635,465.456,2.948,6,0.386,0.65,1.0,0.21467856898087861,0.19786169556575972,0.13167363443218422,0.142510794325269,0.1716811733260229
EOS-3-25375,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5c(C)nn(C)c5C)ccc4Cl)n23)cn1,YCQOKDPEQGXDGP-UHFFFAOYSA-N,3,1,0.391,14,81,443.942,4.756,5,0.4,0.78,1.0,0.19010006168185867,0.28881673634432187,0.4779059008978137,0.43839524364334176,0.34880448564183403
EOS-3-25376,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)n1,RKVGFTHILUIQON-UHFFFAOYSA-N,3,1,0.455,46,128,448.849,3.718,5,0.4,0.63,1.0,0.534970187101638,0.559343088205058,0.4355338907545747,0.47904530189843053,0.5022231169899253
EOS-3-25377,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)[nH]n2)cc1Cl,BXPCPOMQDBHAJV-UHFFFAOYSA-N,3,1,0.426,73,963,457.256,3.996,5,0.425,0.68,1.0,0.5093036803509012,0.5129531903228017,0.7566650675073675,0.8282759920498938,0.6517994825577411
EOS-3-25378,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cn2)s1,OHWAXYABFSEKIO-UHFFFAOYSA-N,3,1,0.444,55,564,454.878,3.78,5,0.395,0.7,1.0,0.7128795147693784,0.7087159893084778,0.3694229319443493,0.4165153176615722,0.5518834384209444
EOS-3-25379,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cn6)n5)n34)cn2)nc1,MHPWVZGVQGJFHF-UHFFFAOYSA-N,3,1,0.296,10,872,454.404,3.169,6,0.399,0.62,1.0,0.04650983482968953,0.2276488931533137,0.3882530326913851,0.4638475772736618,0.2815648344870125
EOS-3-25380,COc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnc(C)c6)cn5)n34)nn2)cn1,LWQQDEOPLLEXAB-UHFFFAOYSA-N,3,1,0.252,86,312,463.465,2.603,6,0.375,0.65,1.0,0.023096429305736414,0.028716331985470495,0.13477486121581797,0.09214584332807896,0.06968336645877596
EOS-3-25381,c1cc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cnccn6)no5)n34)cn2)ccn1,IODLIKUUSUZBFI-UHFFFAOYSA-N,3,1,0.315,86,790,420.396,2.755,6,0.419,0.68,1.0,0.10270029470221369,0.14087451168528545,0.11171269960934822,0.14023199232403535,0.12387987458022068
EOS-3-25382,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)c4)n23)cc1,HJLMPAHQKRSORZ-UHFFFAOYSA-N,3,1,0.479,89,656,482.479,3.254,6,0.375,0.83,1.0,0.5746264820779933,0.20721677746556097,0.24804674114179973,0.2544719347543006,0.3210904838599136
EOS-3-25383,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(F)c4)n23)cc1,UFYYERHIHFCEFM-UHFFFAOYSA-N,3,1,0.449,0,999,407.836,4.143,5,0.551,0.9,1.0,0.37589952710575014,0.4948598451099993,0.6747995339592899,0.8034490439311904,0.5872519875265574
EOS-3-25384,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ccn4)n23)nc1,IXPALDDZCNWNFG-UHFFFAOYSA-N,3,1,0.467,18,503,431.406,3.543,5,0.38,0.66,0.997,0.6373106709615517,0.5834589815639778,0.6717754094990063,0.6684086080460558,0.6402384175176479
EOS-3-25385,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6n[nH]c(=N)o6)cc5)n34)cn2)cn1,MFEVCRVILFXQMN-UHFFFAOYSA-N,3,1,0.277,9,725,436.439,2.716,6,0.433,0.69,1.0,0.051127407305873486,0.059677198272907954,0.30270372147214036,0.23089575765883077,0.16110102117743813
EOS-3-25386,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)c1,MSVFWXJXPVMNCV-UHFFFAOYSA-N,3,1,0.321,3,498,455.388,3.639,6,0.392,0.63,1.0,0.24488554588444933,0.3433880474264958,0.5298985676101706,0.6369080254951682,0.438770046604071
EOS-3-25387,COc1cc(-c2ccc(Cl)nn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,NUJBTSGTWQKIQO-UHFFFAOYSA-N,3,1,0.562,72,925,459.897,3.927,5,0.361,0.72,1.0,0.722251730518813,0.5885648687547118,0.5366407374408882,0.470084298540196,0.5793854088136523
EOS-3-25388,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cn2)c(F)c1,XCBGNLDVDPPASL-UHFFFAOYSA-N,3,1,0.351,32,977,454.4,4.244,6,0.389,0.7,1.0,0.3804999657323007,0.43728154341717496,0.7116116098965115,0.7431978616955658,0.5681477451853882
EOS-3-25389,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cn2)c1,GSHCVEBSBBTUIL-UHFFFAOYSA-N,3,1,0.319,70,392,419.408,3.36,6,0.423,0.69,1.0,0.18161880611335754,0.13706223014186827,0.3136351175382085,0.3178843122472757,0.2375501165101775
EOS-3-25390,Cc1nc(-c2cncnc2)cc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)n1,SZWWZYBTUGWCHA-UHFFFAOYSA-N,3,1,0.325,94,566,462.452,3.61,6,0.387,0.66,0.996,0.28775443766705505,0.3719587416900829,0.3919025426632856,0.42294051127407306,0.3686390583236242
EOS-3-25391,Cc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3cc(F)c(Cl)cn3)n12,NDVXRXYQKFYQHY-UHFFFAOYSA-N,3,1,0.462,7,469,450.865,3.662,5,0.403,0.66,1.0,0.545156260708656,0.5783188266739772,0.4355424576793914,0.4229490781988897,0.4954916558152286
EOS-3-25392,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)nn1,QFGISNXHQVTKBG-UHFFFAOYSA-N,3,1,0.438,4,503,431.406,3.809,5,0.418,0.64,1.0,0.5606538277020081,0.5541429648413405,0.7089387293537112,0.694631964909876,0.6295918717017339
EOS-3-25393,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cccc(-c4ncon4)c3)n12,UXMHXEDWJHWPMM-UHFFFAOYSA-N,3,1,0.573,35,265,437.822,3.65,5,0.396,0.68,1.0,0.769806730176136,0.6744225892673565,0.6230210403673497,0.6483191693509698,0.6788923822904529
EOS-3-25394,COc1nccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccon5)cc4)n23)cc1,PEVLMQBSXBQHKH-UHFFFAOYSA-N,3,1,0.351,69,898,447.458,4.579,6,0.378,0.76,1.0,0.3342557055719279,0.18047940511274074,0.5264974984579536,0.44829860873140975,0.372382804468508
EOS-3-25395,Cc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccnc(Cl)c5)s4)n23)cc1,QLMMTIAJNPSFPC-UHFFFAOYSA-N,3,1,0.512,72,534,435.9,4.246,5,0.381,0.77,1.0,0.6035912548831471,0.669667945994106,0.29546467000205606,0.3660304297169488,0.48368857514906444
EOS-3-25396,Fc1cc(COc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)cnc1Cl,ZTLKRTOAOQDDLK-UHFFFAOYSA-N,3,1,0.5,16,55,433.834,4.015,5,0.386,0.68,1.0,0.8321482420670276,0.7673908573778356,0.797169488040573,0.7901189089164553,0.7967068741004728
EOS-3-25397,Fc1cccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)c1,JVULPPQWJSYVEX-UHFFFAOYSA-N,3,1,0.362,42,693,442.439,4.166,6,0.4,0.71,1.0,0.2960215201151395,0.367341169213899,0.30989993831814133,0.4101329586731547,0.34584889658008366
EOS-3-25398,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nn2C)c(C)n1,JBCVCRCBTHABNE-UHFFFAOYSA-N,3,1,0.396,53,105,448.878,2.621,5,0.399,0.66,0.948,0.24489411280926598,0.29424816667808923,0.06894661092454253,0.06028544993489137,0.1670935850866973
EOS-3-25399,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,IAPXDLMMGYDMAX-UHFFFAOYSA-N,3,1,0.355,96,575,419.851,4.529,5,0.428,0.78,1.0,0.3805085326571174,0.5084812555685011,0.7730193269823864,0.8034576108560071,0.616366681516003
EOS-3-25400,CNC(=O)c1ccc(-c2nnc3cncc(C=Cc4ccc(Cl)cc4F)n23)nc1,GXXKRFRDNLYKJH-UHFFFAOYSA-N,3,1,0.422,90,505,408.824,3.509,4,0.558,0.79,1.0,0.2766431361798369,0.2888253032691385,0.6582568021383044,0.6103419916386814,0.45851680830649033
EOS-3-25401,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnncn5)c4)n23)cn1,UDPWTEVMPYZEPQ-UHFFFAOYSA-N,3,1,0.272,98,727,432.451,3.106,6,0.418,0.62,1.0,0.11836920019189912,0.04118977451853883,0.33943869508601193,0.32726509492152694,0.2065656911794942
EOS-3-25402,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccc(F)c6)cn5)n34)nc2)n[nH]1,RXTOHNIIJPGGLZ-UHFFFAOYSA-N,3,1,0.31,32,20,448.465,4.753,6,0.418,0.75,0.848,0.18162737303817422,0.2888338701939552,0.6717839764238229,0.6917020766225755,0.4584868240696319
EOS-3-25403,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCc3ccc(C#N)cc3Cl)n12,IJNQUUCTTRLJNF-UHFFFAOYSA-N,3,1,0.483,43,250,472.896,3.699,5,0.367,0.78,1.0,0.6888664245082585,0.6502381605099034,0.7116201768213282,0.6456205880337195,0.6740863374683024
EOS-3-25404,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6c[nH]cn6)cc5)n34)c2)nn1,AQXZESWJODOEFF-UHFFFAOYSA-N,3,1,0.313,9,764,453.897,4.297,6,0.427,0.68,1.0,0.12360359125488314,0.26308169419505173,0.6345349873209513,0.6802309642930574,0.4253628092659859
EOS-3-25405,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)nc1,JWVHWYGAJATBCK-UHFFFAOYSA-N,3,1,0.319,42,818,418.42,3.965,6,0.423,0.74,1.0,0.2504797477897334,0.129951682544034,0.4394318415461586,0.42295764512370637,0.3107052292509081
EOS-3-25406,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cn2)nc1,FCOLTOTVWAULSY-UHFFFAOYSA-N,3,1,0.296,32,339,418.42,3.965,6,0.423,0.74,1.0,0.1512661914879035,0.1444554862586526,0.42796929614145707,0.4292200671646906,0.2882277602631759
EOS-3-25407,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ncn1,KRLVPZBCHGAUJS-UHFFFAOYSA-N,3,1,0.394,31,194,433.863,2.652,5,0.376,0.67,0.982,0.5093122472757179,0.3816307998081009,0.18500274141594134,0.20468953464464396,0.320158830786101
EOS-3-25408,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1csc(C)n1,VLPLFXARUVPZMS-UHFFFAOYSA-N,3,1,0.554,16,591,436.522,4.267,5,0.393,0.76,1.0,0.37356932355561645,0.29907134534987323,0.2694640531834693,0.16302001233637173,0.27628118360633264
EOS-3-25409,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)[nH]c1F,DSSDRALMYCGHFD-UHFFFAOYSA-N,3,1,0.5,20,846,434.41,3.18,5,0.437,0.64,0.999,0.6146939894455486,0.655352614625454,0.46398464807072853,0.43244123089575764,0.5416181207593722
EOS-3-25410,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)cn4)n23)n1,QQOGQEKUMNMNFF-UHFFFAOYSA-N,3,1,0.467,4,122,413.416,3.67,5,0.434,0.87,1.0,0.5891731204166952,0.5636436844630252,0.47438489479816326,0.42922863408950723,0.5141075834418477
EOS-3-25411,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc(C)n2)n1,LEYCQOCAAKXWGN-UHFFFAOYSA-N,3,1,0.362,51,48,446.862,2.678,5,0.397,0.59,1.0,0.47167774655609623,0.4372901103419916,0.041386813789322185,0.04371701733945583,0.2485179220067165
EOS-3-25412,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnnn5C)c4)n23)cc1,YRJWUGOUXPKLKA-UHFFFAOYSA-N,3,1,0.483,56,614,466.469,1.751,6,0.356,0.69,1.0,0.3805170995819341,0.17177540949900624,0.0648002193132753,0.05296929614145706,0.16751550613391816
EOS-3-25413,Clc1ccc(COc2cncc3nnc(-c4cnc(-c5ccccn5)cn4)n23)nc1,PTDDSHBNGOZEFK-UHFFFAOYSA-N,3,1,0.53,24,128,416.832,3.271,5,0.43,0.71,1.0,0.46676889863614557,0.5403502158865053,0.3247035844013433,0.38201631142485093,0.42845975258721125
EOS-3-25414,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccc2F)nn1,WRJXPPSLWYVLDO-UHFFFAOYSA-N,3,1,0.484,16,606,446.421,3.512,5,0.404,0.61,1.0,0.8037488862997738,0.6991810019875265,0.6171441299431156,0.5475378658076897,0.6669029710095264
EOS-3-25415,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4cncc(Cl)n4)ccn3)n12,QGVFZTOWJIECCP-UHFFFAOYSA-N,3,1,0.452,18,904,448.849,3.452,5,0.389,0.63,1.0,0.7314783085463642,0.7087245562332944,0.5535861147282571,0.5859348228359947,0.6449309505859777
EOS-3-25416,c1ncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cn2)cn1,MWQGEQJKPSTNES-UHFFFAOYSA-N,3,1,0.297,94,874,436.464,3.224,6,0.41,0.6,0.997,0.0855578781440614,0.1560893701596875,0.19505174422589266,0.20469810156946064,0.16034927352477554
EOS-3-25417,COc1cc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1cnc(C)cn1,MAEXLNQDOZRVNE-UHFFFAOYSA-N,3,1,0.6,4,248,430.493,4.206,5,0.399,0.73,1.0,0.44582276745939275,0.3769275580837503,0.43944040847097526,0.2841477623192379,0.38658462408333905
EOS-3-25418,Cc1nc(F)cnc1-c1ccc(-c2nnc3cncc(-c4cnc(OC5CCC5)cn4)n23)nc1,BHOQYDLMRDAVHY-UHFFFAOYSA-N,3,1,0.297,33,432,455.457,3.479,6,0.392,0.67,0.474,0.5349787540264547,0.597817147556713,0.053217736961140426,0.11585909122061545,0.3254681824412309
EOS-3-25419,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)n6)nn5)n34)cc2)CC1,LVBBNTAYJZMLEE-UHFFFAOYSA-N,3,1,0.336,74,997,455.457,2.855,6,0.405,0.67,1.0,0.09999314646014666,0.14088307861010213,0.07328147488177644,0.14024055924885204,0.11359956480021932
EOS-3-25420,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(OC)nc(-c5nc(CF)nn5C)n4)n23)cc1,BDXCOBRVBVPWBM-UHFFFAOYSA-N,3,1,0.327,29,849,475.448,1.276,5,0.38,0.73,0.913,0.23958261942293194,0.10054142964841341,0.004386265506133918,0.0007367555342334315,0.08631176752792817
EOS-3-25421,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC5(C)CCC5)nc4)n23)cn1,LTBNGEHFSAIENJ-UHFFFAOYSA-N,3,1,0.322,63,169,415.457,2.929,5,0.534,0.69,0.999,0.38052566650675074,0.1597817147556713,0.025143924336920018,0.039990405044205334,0.15136042766088686
EOS-3-25422,Cn1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)cc1-c1ccc(Cl)cc1,JLLGYMYNYXQRNS-UHFFFAOYSA-N,3,1,0.556,34,573,438.825,4.916,5,0.398,0.82,1.0,0.5017048180385169,0.6169727914467823,0.9054125830991707,0.932432663970941,0.7391307141388528
EOS-3-25423,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)cn1,BJIXUPGFLGSCHZ-UHFFFAOYSA-N,3,1,0.483,16,55,433.422,3.927,5,0.378,0.73,1.0,0.43638201631142487,0.37196730861489957,0.7450911520800494,0.6684171749708725,0.5554644129943116
EOS-3-25424,Cc1ccnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cn2)c1F,QBGANJDKIFESOU-UHFFFAOYSA-N,3,1,0.463,16,788,474.431,2.908,5,0.397,0.7,0.994,0.5891816873415119,0.33815365636351175,0.48507641696936465,0.4006065382770201,0.4532545747378521
EOS-3-25425,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4ncccc4C)n23)n1,NKDNHPSBBMJSCO-UHFFFAOYSA-N,3,1,0.468,44,531,459.46,4.16,5,0.377,0.73,0.999,0.7222602974436296,0.6214532931258995,0.5265060653827702,0.5007538893838668,0.5927433863340414
EOS-3-25426,Cc1n[nH]c(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)n1,LYHPDFPNZDBRBT-UHFFFAOYSA-N,3,1,0.511,16,55,420.383,3.137,5,0.435,0.69,1.0,0.6674405455417723,0.5593516551298746,0.6256253855116167,0.5859433897608115,0.6095902439860188
EOS-3-25427,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)nc1F,GHDLJJAOSQFKEU-UHFFFAOYSA-N,3,1,0.286,10,543,450.441,3.245,6,0.376,0.64,0.997,0.1539562058803372,0.1717839764238229,0.1785175793297238,0.24831231581111643,0.1881425193612501
EOS-3-25428,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nc(F)ccc5Cl)n4)n23)cc1,IXANNGYBUXMEPW-UHFFFAOYSA-N,3,1,0.5,4,401,447.861,4.323,5,0.37,0.73,1.0,0.855296072921664,0.8052223973682407,0.6345435542457679,0.6596275101089712,0.7386723836611611
EOS-3-25429,CCn1cc(-c2cnc(-c3nnc4cncc(Oc5cc(Cl)ccn5)n34)nc2C)cn1,MJBBOCJNWBDLPA-UHFFFAOYSA-N,3,1,0.311,92,36,433.863,3.614,5,0.413,0.71,1.0,0.30634466451922415,0.36734973613871563,0.14098588170790213,0.14742820917003632,0.24052712288396955
EOS-3-25430,N#Cc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)c1,LFKAKDYRWCDAMZ-UHFFFAOYSA-N,3,1,0.488,11,503,419.448,3.741,5,0.413,0.74,1.0,0.7523216366253169,0.5783273935987938,0.6345521211705846,0.6397351106846686,0.651234065519841
EOS-3-25431,Cc1ccc(-c2nnc3cncc(-c4ncc(C)nc4OCc4cc(Cl)nn4C)n23)nc1,FKDJPQRVLHFQTD-UHFFFAOYSA-N,3,1,0.307,33,432,447.89,3.226,5,0.404,0.65,0.964,0.2146871359056953,0.28355664450688783,0.08689431841546158,0.0777619765608937,0.1657250188472346
EOS-3-25432,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)n1,GTNRNEKAKHBEKK-UHFFFAOYSA-N,3,1,0.46,73,540,451.277,3.924,5,0.371,0.71,1.0,0.7812864094304708,0.8317455966006443,0.5567558769104243,0.642664998971969,0.7031132204783771
EOS-3-25433,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5cncs5)ccn4)n23)c1,QQIIGGDBAUIEFB-UHFFFAOYSA-N,3,1,0.461,18,840,435.9,3.98,5,0.398,0.69,1.0,0.5664964704269755,0.5834675484887945,0.4355510246042081,0.4821979302309643,0.5169282434377356
EOS-3-25434,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(C#N)c6)n5C)n34)cc2)n1C,UQHCDECXQGBSHA-UHFFFAOYSA-N,3,1,0.345,8,474,472.516,3.834,6,0.383,0.7,1.0,0.11561921732574874,0.12676478651223358,0.2846446439586046,0.30217257213350696,0.20730030498252344
EOS-3-25435,CCOc1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cn4)n23)cn1,LZZQZDXGUBATEO-UHFFFAOYSA-N,3,1,0.38,92,412,428.456,3.481,5,0.405,0.75,1.0,0.38738777328490165,0.23235213487766432,0.18165307381262422,0.07777054348571037,0.21979088136522512
EOS-3-25436,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cncc5F)n34)cn2)cn1,MTNAANRCWCDZMS-UHFFFAOYSA-N,3,1,0.563,65,559,446.421,3.246,5,0.392,0.63,1.0,0.8441076691110959,0.855141868274964,0.5165769995202522,0.46706874100472895,0.6707238194777603
EOS-3-25437,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)c2)cn1,YHVRSFVKSCVSGC-UHFFFAOYSA-N,3,1,0.494,56,78,463.505,3.566,6,0.372,0.69,1.0,0.4410852580357755,0.21210849153587827,0.4743934617229799,0.3497447056404633,0.36933297923377423
EOS-3-25438,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nnc(CO)n5C)nc4)n23)ccc1Cl,ZKAMPLYOVDHNQA-UHFFFAOYSA-N,3,1,0.511,36,250,462.901,3.015,5,0.409,0.71,1.0,0.48659276266191487,0.5783359605236105,0.22644095675416354,0.26930984853676926,0.3901698821191146
EOS-3-25439,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)cn2)n(C)n1,KOYDPPYACBSRES-UHFFFAOYSA-N,3,1,0.333,94,515,463.48,4.158,6,0.387,0.72,0.997,0.217634158042629,0.3285672674936605,0.45713967514221093,0.4670773079295456,0.3676046021520115
EOS-3-25440,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)nc5)n34)cn2)n(C)n1,NRPACNKSPXMGDL-UHFFFAOYSA-N,3,1,0.395,42,693,463.48,4.158,6,0.387,0.72,1.0,0.14278493591940236,0.25768453156055104,0.42461962853813995,0.4229662120485231,0.3120138270166541
EOS-3-25441,Cc1ncc(COc2cncc3nnc(-c4cc(-c5cc(F)cnc5F)ccn4)n23)cn1,JNKYAUCUBRTFRK-UHFFFAOYSA-N,3,1,0.375,46,160,432.394,3.204,5,0.39,0.65,1.0,0.7755465698033034,0.5310893701596875,0.5987680762113632,0.5311236378589541,0.6091319135083271
EOS-3-25442,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)no1,WAXZLSMCVFCTCK-UHFFFAOYSA-N,3,1,0.348,38,983,424.449,4.027,6,0.417,0.69,1.0,0.17558769104242342,0.16761188403810567,0.3430111027345624,0.3432509766294291,0.2573654136111302
EOS-3-25443,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccco6)nn5)n34)nc2)cc1,FVJLSRMIRJODOS-UHFFFAOYSA-N,3,1,0.3,30,301,418.42,3.965,6,0.423,0.78,0.998,0.10754917414844767,0.05968576519772462,0.2658402439860188,0.35590432458364746,0.19724487697895965
EOS-3-25444,COCc1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)cc4OC)n23)cn1,NNVAOOKTSODUEL-UHFFFAOYSA-N,3,1,0.341,82,856,459.897,4.119,5,0.374,0.71,1.0,0.5775135357412103,0.4502604345144267,0.5598913713933247,0.47009286546501267,0.5144395517784935
EOS-3-25445,N#CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c1,GUTLNBPGLLUWBF-UHFFFAOYSA-N,3,1,0.612,43,11,443.417,4.036,5,0.393,0.7,1.0,0.772668083064903,0.6072750325543143,0.9160441367966554,0.8947981632513193,0.7976963539167979
EOS-3-25446,Cc1ncc(-c2nnc3cncc(OCc4cnc(-c5cn(C)nn5)cc4F)n23)cn1,DMFKEEBWOYKOGO-UHFFFAOYSA-N,3,1,0.429,51,48,418.396,1.798,5,0.42,0.68,1.0,0.38959803988760194,0.35284593242409706,0.16884552121170585,0.13139949283805086,0.2606722465903639
EOS-3-25447,Cn1nnc(-c2cccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,IRUKAFZCEZSCNR-UHFFFAOYSA-N,3,1,0.407,61,740,411.429,1.671,5,0.465,0.77,1.0,0.19010862860667535,0.07459221437872661,0.11775238160509903,0.0829792337742444,0.11635811459118636
EOS-3-25448,Fc1ccc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)nc1,XJHFCOAQAXRIQT-UHFFFAOYSA-N,3,1,0.458,18,692,431.406,3.543,5,0.38,0.65,1.0,0.7698152971009526,0.5932167089301624,0.6409687478582689,0.6426735658967857,0.6616685799465425
EOS-3-25449,N#Cc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)nc1,ZROWWLDMUMSLBT-UHFFFAOYSA-N,3,1,0.484,87,838,421.424,2.531,5,0.406,0.66,1.0,0.6550356384072373,0.572955931738743,0.39191110958810227,0.362774998286615,0.49566941950517446
EOS-3-25450,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccsc6)o5)n34)cn2)cn1,PMTVHZDRWSFDFB-UHFFFAOYSA-N,3,1,0.295,70,723,454.475,4.035,6,0.38,0.74,0.994,0.34133198547049554,0.24790967034473305,0.21582653690631212,0.17650435199780687,0.2453931361798369
EOS-3-25451,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)cs1,YPZBHUJZAIBVFR-UHFFFAOYSA-N,3,1,0.353,30,39,436.504,4.471,6,0.405,0.75,1.0,0.008669727914467823,0.037480296072921665,0.31364368446302515,0.33691145226509495,0.1741762901788774
EOS-3-25452,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)c(F)c5)ncn4)n23)cn1,KZVUOQSYERLMKJ-UHFFFAOYSA-N,3,1,0.473,4,675,438.426,3.542,5,0.409,0.65,1.0,0.7953961346035228,0.835232335001028,0.752295935850867,0.6684257418956892,0.7628375368377767
EOS-3-25453,Cc1nc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)ncc1F,PMQZHLFYHGGZNL-UHFFFAOYSA-N,3,1,0.32,86,790,462.452,3.61,6,0.387,0.64,0.99,0.32668254403399355,0.37693612500856694,0.2480553080666164,0.25735898841751764,0.3022582413816736
EOS-3-25454,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)nc5)n34)cc2F)n1,QWQNLELOVWFWDP-UHFFFAOYSA-N,3,1,0.31,42,608,462.452,3.61,6,0.387,0.64,1.0,0.3292611884038106,0.4007350421492701,0.32832739359879376,0.3369200191899116,0.3488109108354465
EOS-3-25455,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nc5)nc4)n23)nc1,LTIUSFCXTDXYOF-UHFFFAOYSA-N,3,1,0.443,46,959,450.289,4.529,5,0.364,0.74,1.0,0.7868891782605716,0.7885597285998218,0.7400538002878487,0.790127475841272,0.7764075457473785
EOS-3-25456,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5ncccn5)n4)n23)cn1,CSPNRJUTZVFLAH-UHFFFAOYSA-N,3,1,0.367,80,34,463.465,2.413,6,0.362,0.66,1.0,0.42040470152833936,0.2784250565417038,0.055213830443424025,0.039998971969022,0.19851064012062228
EOS-3-25457,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)c1,OPLBYHQPRXCZTP-UHFFFAOYSA-N,3,1,0.326,3,289,440.854,4.347,6,0.401,0.71,1.0,0.06689911589335892,0.21211705846069495,0.4639932149955452,0.5638749914330752,0.32672109519566855
EOS-3-25458,Cc1ccc(-c2nnc3cncc(OCc4cc(C#N)cc(-c5ccnc(F)c5)c4)n23)nc1,OCEKZUQBAAGAHX-UHFFFAOYSA-N,3,1,0.419,97,348,437.438,4.147,5,0.381,0.72,1.0,0.8037574532245905,0.7226286752107464,0.860530463984648,0.814371873072442,0.8003221163731067
EOS-3-25459,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)nc5)n34)cn2)n1C,FKUACMXKSGWZTG-UHFFFAOYSA-N,3,1,0.286,70,968,449.482,2.753,6,0.403,0.6,0.87,0.18163593996299088,0.08150572270577754,0.11172126653416489,0.07777911041052704,0.11316050990336508
EOS-3-25460,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,VLCZFSXARBFIAE-UHFFFAOYSA-N,3,1,0.342,30,553,431.463,3.711,6,0.419,0.64,0.997,0.049645329312589956,0.07792474813241039,0.11172983345898156,0.187564251936125,0.10671604071002672
EOS-3-25461,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)n1,WYZQRLUMTWOZKU-UHFFFAOYSA-N,3,1,0.593,44,159,462.435,4.596,5,0.367,0.77,1.0,0.8885443081351518,0.8754797477897334,0.8399955451990954,0.8513809882804468,0.8638501473511069
EOS-3-25462,Cc1cc(C#N)cnc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,XHKWPKKGSMDNHE-UHFFFAOYSA-N,3,1,0.388,46,128,455.869,3.451,5,0.391,0.65,1.0,0.5529521622918238,0.6893119045987253,0.47791446782263036,0.5007624563086834,0.5552352477554657
EOS-3-25463,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCc5nnc(C)c(C)n5)n34)c2)cs1,NJLIKGQQJBOBBP-UHFFFAOYSA-N,3,1,0.489,4,677,448.487,3.743,5,0.4,0.68,1.0,0.5191899115893359,0.47228599821807965,0.1012867521074635,0.09610376259337948,0.2972166061270646
EOS-3-25464,COc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)nn2)c1,HMILDGLJNOAMHW-UHFFFAOYSA-N,3,1,0.356,3,39,436.435,3.703,6,0.402,0.67,1.0,0.12937769858131726,0.12996024946885065,0.4464824206702762,0.3884329381125351,0.2735633267082448
EOS-3-25465,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccc(C#N)nc1,WYMHENLMZCLPJD-UHFFFAOYSA-N,3,1,0.449,95,493,457.885,3.128,5,0.356,0.71,1.0,0.48411692138989787,0.48545336166129804,0.45714824206702764,0.45769652525529436,0.4711037625933795
EOS-3-25466,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccsc5)cnn4)n23)nc1,WUFMKQNZORCUJU-UHFFFAOYSA-N,3,1,0.287,33,432,456.535,3.9,5,0.437,0.64,0.996,0.06690768281817559,0.02162291823726955,0.23388561441984784,0.10646974162154753,0.10722148927421013
EOS-3-25467,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)ns1,SFTVHWAXAKCQTO-UHFFFAOYSA-N,3,1,0.575,15,921,433.472,3.774,5,0.377,0.73,1.0,0.6707388115961894,0.65024672743472,0.3175073675553423,0.29911417997395656,0.4844017716400521
EOS-3-25468,COc1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1-c1ccc(F)nc1,LGNUZFAIBIRXMM-UHFFFAOYSA-N,3,1,0.495,72,83,429.415,3.37,5,0.379,0.68,1.0,0.7005945445822768,0.6744311561921733,0.6345606880954012,0.5209118634774861,0.6326245630868343
EOS-3-25469,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)n1,FXWGUZAKYZQSSE-UHFFFAOYSA-N,3,1,0.31,70,968,438.48,3.465,6,0.444,0.65,0.994,0.08126584881091084,0.14825063395243643,0.11478822561853197,0.1064783085463642,0.11269575423206085
EOS-3-25470,Cc1cc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4Cl)n23)ccc1Cl,MQKVUBZVYWDWIW-UHFFFAOYSA-N,3,1,0.543,43,258,467.32,4.176,5,0.383,0.75,1.0,0.6089627167431979,0.7364985264889315,0.634569255020218,0.7054862586525941,0.6713791892262353
EOS-3-25471,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5F)nn4)n23)cc1,OCBKQCLSSSETML-UHFFFAOYSA-N,3,1,0.3,98,620,453.445,2.852,6,0.366,0.66,1.0,0.021965595229936262,0.1072493317798643,0.12339798505928312,0.15793982592008773,0.10263818449729284
EOS-3-25472,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)ccc1F,DNAHBXVPQITWFH-UHFFFAOYSA-N,3,1,0.447,26,911,430.447,3.491,5,0.407,0.65,1.0,0.4891885408813652,0.4811613323281475,0.42068741004728943,0.32727366184634366,0.42957773627578644
EOS-3-25473,CN(C)CCOc1nc(Cc2cncc3nnc(-c4cnc(C(C)(C)O)nc4)n23)cnc1Cl,HCJNJPJYLSGBIG-UHFFFAOYSA-N,3,1,0.302,78,5,469.937,1.783,4,0.407,0.69,1.0,0.2933315057227058,0.19335549311219244,0.025152491261736687,0.004968816393667329,0.12920207662257555
EOS-3-25474,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ncc4F)n23)cc1-c1cccnc1,JMQPHRSJPKEXLP-UHFFFAOYSA-N,3,1,0.457,95,493,434.41,2.882,5,0.379,0.68,1.0,0.4363905832362415,0.3528544993489137,0.4885117538208485,0.47327119457199646,0.43775700774450005
EOS-3-25475,Cn1cc(-c2cc(F)c(-c3nnc4cncc(-c5ccnc(-c6cncs6)c5)n34)cn2)cn1,ZTVALMNANKSNIQ-UHFFFAOYSA-N,3,1,0.304,86,723,455.482,3.911,6,0.397,0.66,1.0,0.1207679391405661,0.24791823726954973,0.4710866287437461,0.4545181961483106,0.32357275032554317
EOS-3-25476,Cn1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5nncn5C)c4)n23)n1,HJVASEHTCDENJS-UHFFFAOYSA-N,3,1,0.488,36,404,422.84,1.948,5,0.422,0.65,1.0,0.43178157768487424,0.6502552943595367,0.07329004180659311,0.10225481461174697,0.31439543211568777
EOS-3-25477,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cn1,CRNVEWMWAGYHLB-UHFFFAOYSA-N,3,1,0.426,51,69,451.372,3.089,5,0.384,0.65,1.0,0.7099324926324446,0.8352409019258447,0.5667791789459256,0.4790538688232472,0.6477516105818655
EOS-3-25478,OCc1cc(COc2cncc3nnc(-c4ccc(-c5ccncc5Cl)nc4)n23)ccc1F,CCPOQAQHPLSRBU-UHFFFAOYSA-N,3,1,0.494,59,109,462.872,4.112,5,0.405,0.73,0.999,0.8644369817010485,0.8128298266054417,0.9085138098828045,0.8975567130422863,0.8708343328078952
EOS-3-25479,COc1ncc(-c2nnc3cncc(OCc4cc(-c5ccn(C)n5)ccc4F)n23)cn1,AULIEDLWVQOVJQ-UHFFFAOYSA-N,3,1,0.461,16,256,432.419,2.709,5,0.403,0.64,1.0,0.46186861764101156,0.38163936673291754,0.4279778630662737,0.29009320814200534,0.390394763895552
EOS-3-25480,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ncccn5)n4)n23)cn1,RNJWSHURFXGLBR-UHFFFAOYSA-N,3,1,0.283,86,892,439.378,1.215,6,0.364,0.64,0.999,0.005988280446850798,0.11334041532451511,0.021143170447536153,0.040007538893838665,0.045119851278185186
EOS-3-25481,Cn1cncc1CCOc1cncc2nnc(-c3cnc(F)c(-c4ccc(F)cn4)c3)n12,AINSVFWGYIXITF-UHFFFAOYSA-N,3,1,0.455,87,307,434.41,2.882,5,0.379,0.69,1.0,0.6430676444383524,0.49486841203481596,0.4950311836063327,0.46708587485436226,0.5250132787334658
EOS-3-25482,COC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)nc1,KCPOLZBJJFNQKD-UHFFFAOYSA-N,3,1,0.386,46,128,458.413,2.543,5,0.35,0.7,0.758,0.4841254883147145,0.3194177917894593,0.28836268932903847,0.18228702624905763,0.3185482489205675
EOS-3-25483,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnn5)n4)n23)cc1Br,PSYSYFNNTUVXAZ-UHFFFAOYSA-N,3,1,0.457,7,212,476.298,3.083,5,0.377,0.71,1.0,0.5693321225412926,0.607283599479131,0.2954732369268727,0.28106366938523747,0.43828815708313346
EOS-3-25484,c1ccc(-c2cccnc2COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,YJPPUTNDFFCODC-UHFFFAOYSA-N,3,1,0.512,12,285,446.474,4.217,6,0.408,0.69,1.0,0.4793280104173806,0.39090021245973544,0.48852032074566515,0.4701014323898293,0.45721249400315267
EOS-3-25485,Cc1cnc(-c2nnc3cncc(-c4ncc(OCc5ccc(F)c(F)c5F)nn4)n23)nc1,LAENAYHZJVIOGC-UHFFFAOYSA-N,3,1,0.326,73,261,451.372,2.738,5,0.372,0.64,0.421,0.5606623946268248,0.5593602220546913,0.4538071413885272,0.46709444177917897,0.5102310499623056
EOS-3-25486,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C(F)Cc4ccc(F)c(F)c4F)n23)nc1,NCGPPOWHDHLEIK-UHFFFAOYSA-N,3,1,0.392,63,505,456.403,3.749,5,0.353,0.75,1.0,0.190117195531492,0.33326194229319445,0.8117075594544583,0.8343585086697279,0.5423613014872182
EOS-3-25487,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)ncn2)ccn1,CGLBTQHMMUHKGG-UHFFFAOYSA-N,3,1,0.389,44,971,433.834,4.537,5,0.411,0.71,1.0,0.6614779658693716,0.6502638612843533,0.7707662257556027,0.7785792611884038,0.7152718285244328
EOS-3-25488,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(F)cc(-c4ccccc4F)c3)n12,YDHVWAXCESHCPV-UHFFFAOYSA-N,3,1,0.581,88,70,446.461,4.4,5,0.387,0.75,1.0,0.44109382496059213,0.612106778150915,0.7167431978616956,0.7298505928311974,0.6249485984511001
EOS-3-25489,Cn1nc(-c2cccc(Cl)n2)nc1-c1cncc2nnc(-c3ccc(C(F)F)cn3)n12,DXJYYSMRNZQJMQ-UHFFFAOYSA-N,3,1,0.319,50,542,439.817,3.635,5,0.394,0.65,0.104,0.11837776711671578,0.2630902611198684,0.40655198409978754,0.517639298197519,0.3264148276334726
EOS-3-25490,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)no2)cn1,ONLJOEYDTGHAHI-UHFFFAOYSA-N,3,1,0.404,6,297,452.438,2.611,6,0.371,0.7,1.0,0.3316684942772942,0.2682218490850524,0.07760777191419369,0.06324960592145844,0.18518693029949967
EOS-3-25491,Cc1ncc(-c2nncnc2-c2cncc3nnc(-c4ccc(C(=O)c5ccccc5)cc4)n23)cn1,XDOOYRLSHFGHGU-UHFFFAOYSA-N,3,1,0.33,30,945,471.484,3.64,6,0.346,0.77,1.0,0.22586697279144677,0.09118634774861216,0.28465321088342127,0.2810722363100541,0.2206946919333836
EOS-3-25492,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c(F)c2)n(C)n1,VTRPPHSGMVPCTR-UHFFFAOYSA-N,3,1,0.482,13,145,453.84,4.619,5,0.395,0.76,1.0,0.5141011582482352,0.6940151463230758,0.732514906449181,0.7713830443424029,0.6780035638407237
EOS-3-25493,N=c1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)c[nH]1,CTDMBHQJDZDFKD-UHFFFAOYSA-N,3,1,0.539,75,530,429.419,2.211,5,0.423,0.71,0.999,0.6916335412240422,0.5173908573778356,0.3993557672537866,0.34006408059762866,0.4871110616133233
EOS-3-25494,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5ccccc5Cl)n34)c2)cnn1,HUKOOJGGEHSXKC-UHFFFAOYSA-N,3,1,0.512,43,521,428.883,4.789,5,0.4,0.76,1.0,0.6735316290864232,0.8128383935302583,0.8015557535467068,0.8143804399972586,0.7755765540401617
EOS-3-25495,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)s1,AEZUFAUSIVBXAX-UHFFFAOYSA-N,3,1,0.312,94,515,436.504,4.377,6,0.408,0.73,0.953,0.12636214104585017,0.0973459666917963,0.2264495236789802,0.2750753889383867,0.18130825508875334
EOS-3-25496,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)c(C)n4)n23)ccc1F,KKKVUTAMPLDPRO-UHFFFAOYSA-N,3,1,0.419,92,690,430.447,3.317,5,0.422,0.65,1.0,0.35758344184771435,0.3332705092180111,0.38089404427386747,0.2634158042629018,0.3337909499006237
EOS-3-25497,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)nc4)n23)nc1,GSVOLJDLWBZCPY-UHFFFAOYSA-N,3,1,0.33,70,968,450.441,3.245,6,0.376,0.63,0.85,0.1593019669659379,0.22243163593996298,0.32833596052361047,0.3335960523610445,0.26091640394763893
EOS-3-25498,Cc1nnc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(F)c2)o1,OIUMKIFOQPNKNJ-UHFFFAOYSA-N,3,1,0.471,34,706,441.785,4.269,5,0.407,0.69,1.0,0.6858423000479748,0.8455811801795627,0.658265369063121,0.6888064560345418,0.7196238263313001
EOS-3-25499,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4Cl)n23)cn1,ZUYOKUNUYDXTDX-UHFFFAOYSA-N,3,1,0.471,7,815,450.865,3.662,5,0.403,0.67,1.0,0.5579552463847577,0.6451237063943527,0.5165855664450689,0.4790624357480639,0.5496817387430608
EOS-3-25500,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccnn5C)cn4)n23)cn1,MWPPWLKZDAETHF-UHFFFAOYSA-N,3,1,0.347,6,318,450.466,3.175,6,0.393,0.64,1.0,0.3191179494208759,0.18893495990679185,0.21583510383112878,0.1402491261736687,0.21603428483311632
EOS-3-25501,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5F)n34)cn2)cn1,YMTZSQPZJGLZPJ-UHFFFAOYSA-N,3,1,0.313,42,106,465.427,4.046,6,0.359,0.74,0.807,0.33426427249674456,0.4636933726269618,0.7476012610513331,0.7612569392091015,0.5767039613460352
EOS-3-25502,COc1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1ncccn1,AQGWRKQTVSOCPI-UHFFFAOYSA-N,3,1,0.44,16,300,446.858,3.279,5,0.362,0.69,1.0,0.8511068466863135,0.7040555822082105,0.3062332944966075,0.2544805016791173,0.5289690562675622
EOS-3-25503,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ccsc5-c5ccccc5)n34)cc2)n1,RTYHAWVIHICGTI-UHFFFAOYSA-N,3,1,0.37,25,791,436.504,4.377,6,0.408,0.71,1.0,0.10755774107326434,0.09430470838187924,0.277311356315537,0.34639503803714616,0.2063922109519567
EOS-3-25504,Cn1nnnc1-c1cc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,MVXISORPUIVOEK-UHFFFAOYSA-N,3,1,0.314,30,945,466.896,3.759,6,0.386,0.68,1.0,0.1621204852306216,0.27843362346652045,0.2517048180385169,0.39451545473236926,0.27169359536700705
EOS-3-25505,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nn4)n23)cc1,DMCYCVVVHAECLW-UHFFFAOYSA-N,3,1,0.472,56,415,463.465,2.413,6,0.362,0.64,1.0,0.32926975532862723,0.18894352683160853,0.09392776368994586,0.08471831951202796,0.17421484134055237
EOS-3-25506,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cc1,CQPSAVXQKZEIFO-UHFFFAOYSA-N,3,1,0.571,56,415,463.465,2.413,6,0.362,0.67,1.0,0.39173120416695223,0.24282948392844905,0.1064269069974642,0.09407340141182921,0.20876524912617367
EOS-3-25507,FCc1nnc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)o1,XBVGNPLTYODFFW-UHFFFAOYSA-N,3,1,0.374,45,102,425.786,4.165,5,0.426,0.68,1.0,0.4024826948118703,0.6400949215269687,0.523130697005003,0.6684343088205058,0.558535655541087
EOS-3-25508,CCc1nc(-c2nnc3cncc(OCCC4CCCCC4)n23)ccc1-c1nc(C)nn1C,VKDWTUPQMKUNOC-UHFFFAOYSA-N,3,1,0.489,78,701,446.559,4.202,5,0.42,0.7,0.204,0.2850044548009047,0.12314954423959976,0.0002741415941333699,0.0013193064217668425,0.10243686176410116
EOS-3-25509,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)cnc1Cl,XZEIJESYBJWRBZ-UHFFFAOYSA-N,3,1,0.543,97,91,432.846,4.62,5,0.377,0.77,1.0,0.947159207730793,0.8941385100404359,0.8929305736412857,0.8920224796107189,0.9065626927558084
EOS-3-25510,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)ccn1,ANENXXGUVDAVIR-UHFFFAOYSA-N,3,1,0.313,32,191,447.437,3.906,6,0.375,0.66,1.0,0.24490267973408264,0.3769446919333836,0.512764717976835,0.5209204304023027,0.41388313001165095
EOS-3-25511,Fc1cc(-c2ccccn2)cnc1-c1nnc2cncc(Cc3ccc(C(F)(F)F)nn3)n12,FNFIGVVEXQMWQJ-UHFFFAOYSA-N,3,1,0.376,85,476,452.375,3.787,5,0.383,0.67,1.0,0.3759080940305668,0.4328010417380577,0.8480313206771297,0.7830768967171544,0.6099543382907271
EOS-3-25512,Cn1nccc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,UOZJRVCWXABDCB-UHFFFAOYSA-N,3,1,0.437,56,197,462.477,3.018,6,0.367,0.65,1.0,0.46911623603591257,0.252707148242067,0.2125882393256117,0.15255123021040368,0.2717407134534987
EOS-3-25513,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4cccnn4)ccn3)n12,VJIRZHQHIKDEQA-UHFFFAOYSA-N,3,1,0.43,18,88,448.849,3.452,5,0.389,0.62,0.999,0.7192104722088959,0.6599016517031047,0.5796552669453773,0.6193715303954492,0.6445347303132067
EOS-3-25515,COc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cc2)cs1,IJCYNPQZQHFIJU-UHFFFAOYSA-N,3,1,0.358,96,856,421.873,4.034,5,0.432,0.74,1.0,0.41567575902953874,0.4679340004112124,0.2732249331779864,0.290101775066822,0.3617341169213899
EOS-3-25516,COCc1cccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)n1,YRNNDEJOKSCARB-UHFFFAOYSA-N,3,1,0.524,4,22,427.468,3.312,5,0.393,0.67,1.0,0.4644986635597286,0.2630988280446851,0.35824309505859775,0.23090432458364746,0.32918622781166473
EOS-3-25517,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(C(F)(F)F)cn5)c4)n23)cc1,AWFVAKCBAFONKU-UHFFFAOYSA-N,3,1,0.578,27,343,467.386,4.38,5,0.354,0.77,1.0,0.9291001302172572,0.9160098690973888,0.9691248029607292,0.9266414227948736,0.9352190562675622
EOS-3-25518,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(CF)cn5)ncn4)n23)nc1,ZYESRTILJFOYKT-UHFFFAOYSA-N,3,1,0.394,33,53,471.456,2.446,5,0.38,0.65,0.547,0.41341409087793846,0.1804879720375574,0.2194503461037626,0.12044239599753273,0.23344870125419778
EOS-3-25519,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cn2)no1,WIXIGAOVAOVOOU-UHFFFAOYSA-N,3,1,0.304,42,174,424.449,4.027,6,0.417,0.7,1.0,0.20109142622164347,0.1889520937564252,0.33218250976629426,0.3559128915084641,0.26953473031320674
EOS-3-25520,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nn4)n23)cn1,WWWOEMXLBDKURO-UHFFFAOYSA-N,3,1,0.291,99,286,436.443,1.839,6,0.406,0.59,0.303,0.07675964635734357,0.03156055102460421,0.030626756219587416,0.0284764580906038,0.041855852923034745
EOS-3-25521,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cncc(F)c5)n34)cc2)nc1,UMXWQQFBZFWJLE-UHFFFAOYSA-N,3,1,0.274,64,449,465.427,4.046,6,0.384,0.7,1.0,0.2986772668083065,0.37695325885820025,0.5299071345349873,0.5980227537523131,0.45089010348845177
EOS-3-25522,Cc1ncnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)ccc2F)n1,PLCKXOMWQLBSLU-UHFFFAOYSA-N,3,1,0.5,73,434,449.837,3.113,5,0.373,0.67,0.999,0.9543125899527106,0.8916369679939689,0.4206959769721061,0.40061510520183674,0.6668151600301556
EOS-3-25523,Cn1nc(-c2nnc3cncc(Oc4ncccc4Cl)n23)cc1-c1cncc(F)c1,VLCZYBZKAJLPTR-UHFFFAOYSA-N,3,1,0.341,95,956,422.811,3.567,5,0.437,0.69,0.998,0.42270920430402303,0.4328096086628744,0.4606692481666781,0.5240644918100199,0.46006313823589884
EOS-3-25524,CN(C)Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(F)(F)F)nn5)n34)cn2)n1,ZMBPDNKYWUYGLT-UHFFFAOYSA-N,3,1,0.357,50,121,477.454,3.786,5,0.377,0.77,0.997,0.27665170310465353,0.3578918511411144,0.7351620862175313,0.5209289973271195,0.47265865944760466
EOS-3-25525,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,RBZHLNMJHSGPPT-UHFFFAOYSA-N,3,1,0.654,36,895,451.397,2.557,5,0.368,0.67,1.0,0.6402919607977521,0.5541515317661572,0.5299157014598039,0.47907100267288055,0.5508575491741484
EOS-3-25527,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)nc2)cn1,KGWSCENVCNFWPE-UHFFFAOYSA-N,3,1,0.296,86,114,448.425,3.301,6,0.4,0.6,0.977,0.18164450688780756,0.30408299636762387,0.2372267150983483,0.28415632924405454,0.2517776368994586
EOS-3-25528,CCn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)nc1,DLSMWTDHOCKCJG-UHFFFAOYSA-N,3,1,0.248,70,387,446.478,3.589,6,0.395,0.65,0.901,0.0465184017545062,0.026300459187170173,0.19844424645329312,0.19033993557672538,0.11540076074292371
EOS-3-25529,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(C#N)c5F)n34)c2)nc1,UBOIHWNJTRETTA-UHFFFAOYSA-N,3,1,0.518,16,521,455.428,4.286,5,0.39,0.72,1.0,0.919899252964156,0.8455897471043794,0.8846549242683847,0.832319580563361,0.8706158762250703
EOS-3-25530,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c(F)c1,LBKQWULGQXVGHK-UHFFFAOYSA-N,3,1,0.489,20,279,450.865,3.396,5,0.391,0.63,1.0,0.7464275923514495,0.7180625042834624,0.5093122472757179,0.534584675484888,0.6270967548488795
EOS-3-25531,COc1cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1cscn1,YGIRSESCSCPBDZ-UHFFFAOYSA-N,3,1,0.457,97,383,448.483,4.345,5,0.382,0.72,1.0,0.7896048934274553,0.6940237132478926,0.6611952573504215,0.49120176821328215,0.6590064080597628
EOS-3-25532,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)cn2)n1,CLNFFLCQTQBEEZ-UHFFFAOYSA-N,3,1,0.308,86,790,439.464,3.73,6,0.404,0.64,1.0,0.23127270235076416,0.19787026249057638,0.13795319032280173,0.13795319032280173,0.176262336371736
EOS-3-25533,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5sncc5Cl)n34)c2)n1,SAVLETTYOQGKDL-UHFFFAOYSA-N,3,1,0.5,16,256,436.888,3.641,5,0.411,0.71,1.0,0.4916472483037489,0.5593687889795079,0.17852614625454047,0.23374854362278116,0.3658226817901446
EOS-3-25534,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1,JSIYJPOAPBRCSX-UHFFFAOYSA-N,3,1,0.462,40,355,462.477,3.018,6,0.367,0.67,1.0,0.3413405523953122,0.19787882941539306,0.26947262010828593,0.22795730244671372,0.2591623260914262
EOS-3-25535,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccn4)n23)cn1,ICCOBKXLXMFNES-UHFFFAOYSA-N,3,1,0.309,99,813,434.427,1.896,6,0.404,0.62,0.855,0.05976286752107463,0.01626859022685217,0.027311356315536973,0.037514563772188335,0.03521434445891303
EOS-3-25536,Cc1cccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)n1,KRLGASQQZJMUMF-UHFFFAOYSA-N,3,1,0.489,72,132,461.888,4.366,5,0.371,0.73,1.0,0.7726766499897197,0.8052309642930574,0.5796638338701939,0.6135203207456651,0.692772942224659
EOS-3-25537,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)cn1,UKZGTXSQVHUIPX-UHFFFAOYSA-N,3,1,0.424,18,367,461.888,4.366,5,0.371,0.73,1.0,0.6976903570694264,0.7087331231581112,0.646922760605853,0.6539990405044205,0.6768363203344527
EOS-3-25538,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)n1,NOERLADPTLLBAR-UHFFFAOYSA-N,3,1,0.518,2,36,431.847,2.974,5,0.387,0.64,1.0,0.5451648276334727,0.5267288054280036,0.2954818038516894,0.3056164759098074,0.4182479782057433
EOS-3-25539,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)c(-c2cnn(C)c2)n1,RQMPAHUJZDYXJY-UHFFFAOYSA-N,3,1,0.242,99,652,450.47,2.148,6,0.396,0.58,0.997,0.028836268932903846,0.023944554862586526,0.03182612569392091,0.02467274347200329,0.027319923240353643
EOS-3-25540,Fc1cnc(-c2nnc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)[nH]2)nc1,VMJRUTYSWQCVEO-UHFFFAOYSA-N,3,1,0.297,86,588,438.39,2.025,6,0.433,0.58,0.435,0.18165307381262422,0.19788739634020971,0.033162565965321085,0.06325817284627511,0.11899030224110753
EOS-3-25541,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)cn1,BOKHNDYWLQJXAW-UHFFFAOYSA-N,3,1,0.483,16,55,435.85,3.958,5,0.389,0.71,1.0,0.6004557604002467,0.5783445274484271,0.8244979782057432,0.8012216434788568,0.7011299773833185
EOS-3-25542,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)cs1,NBUJTHXRMAILQU-UHFFFAOYSA-N,3,1,0.518,55,283,419.445,3.731,5,0.429,0.77,1.0,0.6858508669727914,0.6502724282091701,0.42070454389692274,0.3755054485641834,0.5330833219107669
EOS-3-25543,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)s4)n23)c(F)c1,DCSCKPJILWSNSO-UHFFFAOYSA-N,3,1,0.35,3,641,455.482,3.911,6,0.397,0.67,1.0,0.13217908299636763,0.33327907614282776,0.2090158316770612,0.2991227468987732,0.24339918442875746
EOS-3-25544,N#Cc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ncccn1,BRLZHDHVURWGAG-UHFFFAOYSA-N,3,1,0.557,35,632,438.426,3.276,5,0.397,0.63,1.0,0.9657494345829621,0.9469793023096429,0.6662583099170721,0.6308769104242341,0.8024659893084778
EOS-3-25546,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)c2)nn1,IMTIEHJZPJELHG-UHFFFAOYSA-N,3,1,0.273,70,719,433.439,2.501,6,0.412,0.61,0.979,0.052755123021040365,0.03469604550750462,0.1915050373517922,0.1957370982112261,0.11867332602289082
EOS-3-25547,Cc1cc(-c2cncc3nnc(-c4ccc(C(C)(C)O)cc4)n23)cc(-c2ccnnc2)n1,JODTZZQFIXVQNC-UHFFFAOYSA-N,3,1,0.33,61,124,423.48,3.846,5,0.468,0.63,1.0,0.23959118634774862,0.10382256185319717,0.8261942293194435,0.6397436776094853,0.4523379137824687
EOS-3-25548,Clc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc2)nc1,BNIGEDIKRIGBFM-UHFFFAOYSA-N,3,1,0.423,18,954,465.304,3.967,5,0.347,0.74,1.0,0.7284456171612638,0.7842676992666713,0.3656020834761154,0.46385614419847854,0.5855428860256322
EOS-3-25549,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)nc1,VTPXATABFDUXNF-UHFFFAOYSA-N,3,1,0.516,75,583,427.443,3.712,5,0.408,0.67,1.0,0.77555513672812,0.6991895689123432,0.4885288876704818,0.44495750805290935,0.6020577753409636
EOS-3-25550,Fc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(OC(F)F)c4)n23)cc1F,OJAJXOPZXRZWLP-UHFFFAOYSA-N,3,1,0.473,23,225,422.769,4.915,4,0.429,0.78,1.0,0.9428414776231924,0.9673343156740456,0.9956308683434995,0.9980039065177164,0.9759526420396134
EOS-3-25551,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccnc(F)c6)nn5)n34)cn2)o1,GQKNLJKENYDCNL-UHFFFAOYSA-N,3,1,0.315,10,705,440.402,2.932,6,0.38,0.66,1.0,0.021048934274552806,0.15609793708450415,0.2694811870331026,0.26342437118771844,0.1775131073949695
EOS-3-25552,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)no5)n34)cc2)n1,DGCXLGUXVFRWTI-UHFFFAOYSA-N,3,1,0.289,98,890,425.416,2.037,6,0.416,0.63,1.0,0.09288259886231238,0.0815142896305942,0.044350969775889246,0.0437255842642725,0.06561836063326708
EOS-3-25553,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(F)nc6)nn5)n34)cc2)o1,MTHYFHJOBKHPGR-UHFFFAOYSA-N,3,1,0.349,38,532,450.437,4.413,6,0.364,0.74,1.0,0.2986858337331232,0.34339661435131247,0.5535946816530738,0.5541001302172572,0.4374443149886917
EOS-3-25554,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)c(F)c2)n1C,NTIIWIPWGUGGQO-UHFFFAOYSA-N,3,1,0.477,16,256,421.461,3.675,5,0.431,0.7,1.0,0.5665050373517923,0.5932252758549791,0.4169779316016723,0.3464036049619629,0.4807779624426016
EOS-3-25555,Fc1cncc(-n2cnc(-c3cncc4nnc(-c5cncnc5-c5cccnn5)n34)n2)c1,ACHBOYLUIZCZHH-UHFFFAOYSA-N,3,1,0.237,86,892,438.39,1.82,6,0.4,0.57,0.157,0.019995202522102667,0.10383112877801384,0.09616373106709615,0.15255979713522033,0.09313746487560826
EOS-3-25556,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ncc(Cl)nn5)n34)c2)cn1,XKFIKPXQUSYTBQ-UHFFFAOYSA-N,3,1,0.392,53,466,450.825,2.242,5,0.355,0.64,0.982,0.5579638133095743,0.6257795901583167,0.1409944486327188,0.23375711054759785,0.38962374066205196
EOS-3-25557,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)[nH]n2)c1,AWUYGJXUVDZRBP-UHFFFAOYSA-N,3,1,0.544,11,963,419.395,3.476,5,0.424,0.77,1.0,0.5891902542663285,0.5310979370845041,0.7116287437461449,0.729859159756014,0.6404440237132479
EOS-3-25558,FC(F)c1ccc(-c2nnc3cncc(CNc4ccc(-c5nc[nH]n5)nn4)n23)cn1,IEJTWCJLJDUVED-UHFFFAOYSA-N,3,1,0.337,85,60,421.375,2.311,5,0.423,0.72,0.798,0.06691624974299226,0.02163148516208622,0.2443886642450826,0.17942567336029058,0.1280905181276129
EOS-3-25559,COc1nc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCCc3cccc(F)n3)n12,SRWUBTKOMURUMO-UHFFFAOYSA-N,3,1,0.474,58,954,446.446,2.751,5,0.352,0.68,1.0,0.47433349324926327,0.3769618257830169,0.24806387499143306,0.1579483928449044,0.3143268967171544
EOS-3-25560,Cc1ncc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c(C)n1,QYBQTFLNBSTTAA-UHFFFAOYSA-N,3,1,0.523,4,539,444.886,3.888,5,0.402,0.65,1.0,0.8321568089918443,0.9139709409910218,0.26584881091083545,0.27508395586320333,0.5717651291892262
EOS-3-25561,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)nc2)c1,XVZUOHMQSUVSAP-UHFFFAOYSA-N,3,1,0.28,69,174,418.42,3.965,6,0.423,0.75,1.0,0.10529607292166404,0.06366938523747516,0.49503975053114935,0.49432012884654924,0.28958133438420947
EOS-3-25562,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)nn2)n1,QSQJUDZDPFSURY-UHFFFAOYSA-N,3,1,0.244,99,813,437.431,1.234,6,0.395,0.62,0.828,0.02643752998423686,0.013484339661435132,0.018470289904735798,0.016242889452402164,0.01865876225070249
EOS-3-25563,Cc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nn1,JGEUYZPUNJRTKK-UHFFFAOYSA-N,3,1,0.495,72,848,443.898,4.227,5,0.363,0.73,1.0,0.7099410595572613,0.820531492015626,0.44997772599547664,0.4638647111232952,0.6110787471729149
EOS-3-25564,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)cn1,OODIZDRQGXVJRP-UHFFFAOYSA-N,3,1,0.287,86,812,448.494,3.532,6,0.397,0.66,1.0,0.08127441573572751,0.044839284490439314,0.19151360427660888,0.14987834966760333,0.11687641354259476
EOS-3-25565,CCn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,PJVYWNVVFVCOJF-UHFFFAOYSA-N,3,1,0.356,93,220,444.502,4.799,6,0.38,0.77,1.0,0.07908128298266054,0.09735453361661298,0.1655301213076554,0.2513278733465835,0.1483234528133781
EOS-3-25566,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)cn1,ZEQSVZVNAJTLBE-UHFFFAOYSA-N,3,1,0.341,32,20,448.465,4.455,6,0.396,0.7,1.0,0.19539442121855938,0.2682304160098691,0.6688797889109726,0.6596360770337879,0.4480351757932972
EOS-3-25567,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)ncn4)n23)cc1F,IWNNOXQESIGCLU-UHFFFAOYSA-N,3,1,0.48,4,788,474.431,2.86,5,0.373,0.71,1.0,0.5451733945582894,0.4194366390240559,0.5500651086286067,0.43566239462682477,0.48758438420944417
EOS-3-25568,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4cc(F)cc(Cl)c4)n23)c(F)c1,LYCZQJIBVSLFGL-UHFFFAOYSA-N,3,1,0.488,13,145,438.825,4.916,5,0.398,0.77,1.0,0.7698238640257693,0.8167277773970255,0.9391491330272086,0.9458913028579261,0.8678980193269823
EOS-3-25569,Fc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)c1,YYJXHCLAPIKYMS-UHFFFAOYSA-N,3,1,0.38,80,855,467.428,2.541,6,0.388,0.66,1.0,0.5950500308409293,0.5593773559043246,0.25171338496333356,0.242572476183949,0.4121783119731341
EOS-3-25570,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)nc5)n34)n2)cn1,WNJBTMGRJZNQTM-UHFFFAOYSA-N,3,1,0.247,86,953,451.429,2.64,6,0.372,0.62,0.971,0.0879566170927284,0.13707079706668493,0.15602083476115414,0.17943424028510727,0.14012062230141867
EOS-3-25571,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)cc5F)n34)cn2)nc1,YEZJUVCKKMXOSJ-UHFFFAOYSA-N,3,1,0.333,42,106,464.439,4.651,6,0.375,0.77,1.0,0.34603522719484614,0.46794256733602907,0.7637242135563018,0.7923377424439723,0.5925099376327874
EOS-3-25572,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)nc1F,NWKNUBKCWNVIOS-UHFFFAOYSA-N,3,1,0.46,46,16,437.385,3.583,5,0.391,0.66,0.999,0.6797854842025907,0.6023147830854636,0.8416660955383456,0.8183983277362757,0.7355411726406689
EOS-3-25573,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ncn2)cn1,WQHUTQMXGJLTJH-UHFFFAOYSA-N,3,1,0.376,31,296,446.862,2.412,5,0.383,0.63,0.669,0.504232060859434,0.45917003632376124,0.08190836817216092,0.09611232951819615,0.28535569871838806
EOS-3-25574,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)c(F)c2)s1,PTNKHSSFMBSUGA-UHFFFAOYSA-N,3,1,0.471,16,772,437.435,3.87,5,0.412,0.68,1.0,0.7253872250017134,0.6940322801727092,0.5796724007950106,0.5703601535192927,0.6423630148721815
EOS-3-25575,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1ccncn1,GKRCMITVNMVJAI-UHFFFAOYSA-N,3,1,0.44,73,379,452.812,3.549,5,0.373,0.68,1.0,0.9398516208621753,0.8833613186210678,0.688052566650675,0.7193304091563293,0.8076489788225618
EOS-3-25576,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cn2)n1,XJAMULMRBMIHGW-UHFFFAOYSA-N,3,1,0.404,51,379,438.814,2.441,5,0.41,0.66,1.0,0.595058597765746,0.6306284696045508,0.15303954492495375,0.17651291892262352,0.3888098828044685
EOS-3-25577,Cc1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)s5)n34)n2)nn1,VJWCREXQNJLNRU-UHFFFAOYSA-N,3,1,0.389,53,587,445.468,2.086,5,0.415,0.59,0.999,0.23959975327256527,0.07109690905352614,0.027319923240353643,0.012464875608251663,0.08762036529367417
EOS-3-25578,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)n2)cn1,PGRTVNOMOBCHKE-UHFFFAOYSA-N,3,1,0.444,92,399,446.406,1.194,5,0.405,0.59,1.0,0.4227177712288397,0.3040915632924405,0.1379617572476184,0.10226338153656364,0.24175861832636558
EOS-3-25580,Cc1noc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)n1,UOVBLGVPXQENPB-UHFFFAOYSA-N,3,1,0.379,93,651,431.459,4.879,6,0.393,0.8,1.0,0.25541429648413405,0.20263347268864368,0.38462922349393464,0.43840381056815847,0.3202702008087177
EOS-3-25581,COc1ncc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1-c1cncc(F)c1,FEVGAOCDCFPIEA-UHFFFAOYSA-N,3,1,0.622,84,657,442.454,4.018,5,0.376,0.73,1.0,0.8091032143101912,0.6893204715235419,0.637713316427935,0.5575269001439244,0.6734159756013982
EOS-3-25582,c1ccc(-c2ncsc2-c2cncc3nnc(-c4nccnc4-c4ncccn4)n23)cc1,RXEMZBQDZIFQTL-UHFFFAOYSA-N,3,1,0.31,64,365,435.476,3.829,6,0.411,0.68,0.997,0.027654033308203686,0.05194983208827359,0.06284696045507504,0.11586765814543211,0.0645796209992461
EOS-3-25583,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5F)n34)cc2)n1,VUQBSHXPXMKTPB-UHFFFAOYSA-N,3,1,0.325,9,725,463.48,4.158,6,0.387,0.7,1.0,0.19282434377355903,0.2527157151668837,0.5231392639298198,0.4974127887053663,0.3665230278939072
EOS-3-25584,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cc1,LFWPWOGLAJQJPC-UHFFFAOYSA-N,3,1,0.388,9,553,419.408,3.36,6,0.423,0.71,1.0,0.1701905284079227,0.0882221917620451,0.22290281680487972,0.29011034199163865,0.19285646974162154
EOS-3-25585,Cc1cccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)n1,WNJSMIJHVQOWCK-UHFFFAOYSA-N,3,1,0.267,76,272,439.464,3.73,6,0.404,0.66,0.183,0.1483877047495031,0.14446405318346925,0.10916832293879788,0.12268693029949969,0.13117675279281749
EOS-3-25586,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)cc1,CJQYDWIAYXNUAH-UHFFFAOYSA-N,3,1,0.298,39,144,470.859,3.684,6,0.383,0.72,0.824,0.04794907819888972,0.2170516071550956,0.23723528202316496,0.4671030087039956,0.24233474402028649
EOS-3-25587,Clc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)nn1,OZZWALVVGVIPLA-UHFFFAOYSA-N,3,1,0.274,76,387,464.88,3.816,6,0.383,0.67,0.304,0.1621290521554383,0.25272428209170034,0.3734493866081831,0.4418220135700089,0.30753118360633264
EOS-3-25588,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)n2)nc1,HBELEGAPFVQGCH-UHFFFAOYSA-N,3,1,0.43,7,775,451.372,3.089,5,0.384,0.62,1.0,0.6035998218079638,0.5978257144815297,0.5567644438352409,0.5176478651223357,0.5689594613117676
EOS-3-25589,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)cc1,NGECABJOYCRDDY-UHFFFAOYSA-N,3,1,0.346,32,515,452.478,4.573,6,0.387,0.75,0.999,0.23695257350421492,0.4052926461517374,0.4917500514015489,0.557535467068741,0.4228826845315605
EOS-3-25590,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1F,YVYQHHJDGDCVKK-UHFFFAOYSA-N,3,1,0.714,88,876,432.434,4.092,5,0.404,0.66,1.0,0.9099787540264547,0.8613443218422315,0.8015643204715236,0.7808923308889041,0.8384449318072784
EOS-3-25591,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5nccc(F)c5F)cnn4)n23)nc1,BZDVZMWSPKHNIH-UHFFFAOYSA-N,3,1,0.389,46,128,436.357,3.035,5,0.414,0.59,1.0,0.5891988211911452,0.6214618600507162,0.6748081008841066,0.7001062298677266,0.6463937529984236
EOS-3-25592,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)c4)n23)ccn1,WGJRRZAANJWJHQ-UHFFFAOYSA-N,3,1,0.602,35,325,447.861,4.057,5,0.362,0.7,1.0,0.9706068809540127,0.9659807415530122,0.7014426701391269,0.7166061270646289,0.8386591049276952
EOS-3-25593,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,KNBRHXACYPWXGC-UHFFFAOYSA-N,3,1,0.447,18,207,432.394,2.938,5,0.377,0.67,1.0,0.6797940511274073,0.6121153450757316,0.6256339524364334,0.6278185182646837,0.636340466726064
EOS-3-25594,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4Cl)n23)c1,LNYIAVDNBIUNKZ-UHFFFAOYSA-N,3,1,0.494,34,712,451.824,4.154,5,0.371,0.74,1.0,0.6373192378863684,0.8582173942841478,0.882401823041601,0.894806730176136,0.8181862963470633
EOS-3-25595,Fc1cccc(-c2ccc(-c3nnc4cncc(Oc5cnc(-c6nccnn6)nn5)n34)cc2)c1,KUYCORDVPUNAOJ-UHFFFAOYSA-N,3,1,0.453,67,622,464.424,3.427,6,0.374,0.64,1.0,0.7924576793914057,0.7758292783222535,0.302712288396957,0.385031868960318,0.5640077787677336
EOS-3-25596,Cc1cc(C#N)ccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5cnc(C)n5C)cc4)n23)n1,VKRZWSGCZPOGAB-UHFFFAOYSA-N,3,1,0.326,98,973,473.504,3.323,6,0.381,0.69,1.0,0.09289116578712905,0.11959427044068262,0.22291138372969638,0.2163576862449455,0.1629386265506134
EOS-3-25597,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4)n23)cnc1Cl,YXKRELFYRVHUKB-UHFFFAOYSA-N,3,1,0.472,55,89,451.824,4.154,5,0.371,0.73,1.0,0.8939500376944692,0.8862312384346515,0.82450654513056,0.8343670755945446,0.8597637242135564
EOS-3-25598,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)nc1,PHMNHLDMULFBPV-UHFFFAOYSA-N,3,1,0.398,46,915,437.826,2.748,5,0.386,0.63,1.0,0.5921544102528956,0.5683040915632924,0.40290247412788704,0.4292372010143239,0.49814954423959973
EOS-3-25599,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5ccc(Cl)cc5)n4)n23)cc1,LHAZWFQFJFSPEH-UHFFFAOYSA-N,3,1,0.302,10,748,470.859,3.684,6,0.383,0.69,0.72,0.028844835857720512,0.20722534439037762,0.35825166198341446,0.5670961551641422,0.2903544993489137
EOS-3-25600,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)nn2)n1,NUPSCZLCGDUESS-UHFFFAOYSA-N,3,1,0.356,3,39,466.896,3.853,6,0.385,0.71,0.999,0.008035775478034404,0.1333527516962511,0.309908505242958,0.36911452265094924,0.20510288876704819
EOS-3-25601,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)ncc1Cl,BOGKTRBYTYOHBR-UHFFFAOYSA-N,3,1,0.523,75,496,447.861,4.057,5,0.387,0.65,1.0,0.8011274073058735,0.7842762661914879,0.7141217188677952,0.7298677266808307,0.7573482797614968
EOS-3-25602,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)ncc1Cl,LWSKASATJVIQTB-UHFFFAOYSA-N,3,1,0.553,72,202,447.861,4.057,5,0.387,0.65,1.0,0.9199078198889726,0.9420618874648756,0.7777054348571036,0.7901360427660887,0.8574527962442602
EOS-3-25603,Cc1nc(-c2cncc(Cl)c2)cc(-c2nnc3cncc(OCCc4cncnn4)n23)n1,IDUWTVDLBWRHGC-UHFFFAOYSA-N,3,1,0.374,31,851,446.862,2.412,5,0.383,0.62,1.0,0.5746350490028099,0.5084898224933178,0.08943012816119526,0.13345555479405113,0.32650263861284357
EOS-3-25604,Cc1nc(-c2cccnc2)c(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)n1C,UXZVKLNRTYYWHB-UHFFFAOYSA-N,3,1,0.523,4,391,449.877,4.267,5,0.398,0.71,1.0,0.709949626482078,0.8205400589404427,0.5366493043657049,0.5765540401617435,0.6609232574874923
EOS-3-25605,COc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3cn(C)nc3C)n12,WENCRSJJDCZPBH-UHFFFAOYSA-N,3,1,0.482,65,456,447.524,3.587,5,0.376,0.7,1.0,0.27163148516208624,0.15979028168048798,0.09877664313617984,0.05297786306627373,0.14579406826125693
EOS-3-25606,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(C#N)c2)s1,XDUWZYFPIIJION-UHFFFAOYSA-N,3,1,0.471,20,658,440.492,3.506,5,0.394,0.68,1.0,0.6089712836680146,0.5932338427797957,0.332191076691111,0.28108080323487084,0.453869251593448
EOS-3-25609,c1cnnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)c1,CEPVFBCCWQAJED-UHFFFAOYSA-N,3,1,0.457,28,218,459.473,3.679,6,0.368,0.68,0.998,0.35974230690151465,0.3481683914741964,0.3582602289082311,0.32094270440682615,0.3467784079226921
EOS-3-25610,CCOc1cc(C)cnc1-c1nnc2cncc(-c3cccc(-c4cccc(C)n4)n3)n12,MCYSWNUPFBYINL-UHFFFAOYSA-N,3,1,0.273,76,776,423.48,4.326,5,0.416,0.75,0.371,0.20941847714344458,0.08823075868686177,0.21945891302857926,0.15795695976972107,0.16876627715715165
EOS-3-25611,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1ccccn1,KWSPTAKSBZIVJN-UHFFFAOYSA-N,3,1,0.521,72,132,459.897,3.927,5,0.361,0.7,1.0,0.7464361592762662,0.7412360359125488,0.4246281954629566,0.3945240216571859,0.5767061030772394
EOS-3-25612,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)n1,UCJVWBSZTMIILH-UHFFFAOYSA-N,3,1,0.388,46,62,450.384,3.343,5,0.376,0.67,1.0,0.7755637036529367,0.6257881570831334,0.6853282845589748,0.6512576245630869,0.6844844424645329
EOS-3-25613,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cscn5)cc4)n23)nc1,DSQSFRSHMNGMRB-UHFFFAOYSA-N,3,1,0.28,32,515,434.488,4.434,6,0.405,0.71,1.0,0.07296449866355972,0.14447262010828593,0.3734579535329998,0.42297477897333974,0.2534674628195463
EOS-3-25614,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)c(F)c4)n23)c1,WXJGOFHHNYDJGC-UHFFFAOYSA-N,3,1,0.405,25,228,466.455,4.594,6,0.378,0.77,1.0,0.21211705846069495,0.3381622232883284,0.7588153656363512,0.8323281474881776,0.5353556987183881
EOS-3-25615,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)s1,SIGVZKFHZMMWRW-UHFFFAOYSA-N,3,1,0.488,55,540,422.861,3.332,5,0.424,0.7,1.0,0.5892073881159618,0.6401034884517853,0.24807244191624975,0.2693184154615859,0.4366754334863957
EOS-3-25616,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cc(F)c(-c5ccn(C)n5)cn4)n23)cc1F,YGMDHDVQMQPFNU-UHFFFAOYSA-N,3,1,0.374,14,413,475.463,2.837,5,0.388,0.73,1.0,0.11838633404153245,0.17632444657665686,0.4394489753957919,0.3056250428346241,0.2599461997121513
EOS-3-25617,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)ccc1F,OLXXJUUUQUCRAT-UHFFFAOYSA-N,3,1,0.538,87,307,427.443,3.712,5,0.408,0.68,1.0,0.7641611267219519,0.67443972311699,0.48158111164416423,0.42924576793914054,0.5873569323555616
EOS-3-25618,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)nc2)cc1,KPXMTSUTYIYUGY-UHFFFAOYSA-N,3,1,0.296,69,645,427.471,4.977,6,0.395,0.83,1.0,0.0689808786238092,0.08496676033171133,0.729807758207114,0.7638698512781852,0.4119063121102049
EOS-3-25619,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)cc5)n34)nn2)cc1,NOGXFJYWASDHQO-UHFFFAOYSA-N,3,1,0.296,93,220,427.471,4.977,6,0.395,0.83,1.0,0.08556644506887807,0.07793331505722706,0.6286409430470838,0.7001147967925434,0.3730638749914331
EOS-3-25620,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccncn5)cn4)n23)cn1,SFXACJGXVJBZAV-UHFFFAOYSA-N,3,1,0.453,51,969,433.382,2.95,5,0.398,0.62,1.0,0.6707473785210061,0.6599102186279213,0.533111164416421,0.4196850798437393,0.570863460352272
EOS-3-25621,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)n1,GMJRBXQMMNGYEJ-UHFFFAOYSA-N,3,1,0.451,75,99,428.431,3.373,5,0.42,0.63,1.0,0.6826982386402577,0.5498680693578233,0.44293571379617575,0.33692858611472826,0.5031076519772463
EOS-3-25622,Cn1ncnc1-c1cncc(-c2cncc3nnc(-c4cccnc4-c4cccnc4)n23)n1,GFUDNMCMMKEJHI-UHFFFAOYSA-N,3,1,0.27,86,812,433.439,2.501,6,0.412,0.6,0.931,0.058015214858474405,0.0134929065862518,0.07095983825645946,0.09408196833664588,0.059137482009457884
EOS-3-25623,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCc3nccc(Cl)n3)n12,MTDKEDSXVFDQMI-UHFFFAOYSA-N,3,1,0.433,16,202,434.822,3.41,5,0.387,0.68,1.0,0.7222688643684463,0.8489908162565966,0.6080974573367144,0.6512661914879035,0.7076558323624151
EOS-3-25624,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C(C)C)c4-c4cncnc4)n23)nc1,KEDLPZSFZZQHPZ-UHFFFAOYSA-N,3,1,0.274,33,432,454.498,2.837,5,0.415,0.62,0.932,0.03635802892193818,0.04836885751490645,0.06285552737989171,0.021365910492769515,0.04223708107737646
EOS-3-25625,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(N)=O)nn4)n23)cc1,UEJHQJBYBJASCV-UHFFFAOYSA-N,3,1,0.333,98,882,412.417,1.626,5,0.459,0.75,1.0,0.1293862655061339,0.05195839901309026,0.020269344116236036,0.015000685353985334,0.05415367349736139
EOS-3-25626,NC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccnc(F)c5F)cn4)n23)cn1,NTXLUFXHYYJJKF-UHFFFAOYSA-N,3,1,0.39,13,412,446.377,2.813,5,0.407,0.6,1.0,0.655044205332054,0.4099616201768213,0.539921869645672,0.44830717565622646,0.5133087177026934
EOS-3-25627,CCn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cn1,IUANDUQHKLAUTP-UHFFFAOYSA-N,3,1,0.727,91,309,428.471,4.435,5,0.383,0.76,1.0,0.4480244671372764,0.45026900143924337,0.6582739359879378,0.6222071825097663,0.544693646768556
EOS-3-25628,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)nc1,WOVLTVHDOBFXCB-UHFFFAOYSA-N,3,1,0.595,46,949,447.861,4.323,5,0.396,0.7,1.0,0.8711620176821329,0.7628503872250018,0.7195188815022959,0.7193389760811459,0.7682175656226442
EOS-3-25629,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)nn1,ZUXNLHLCNKXZAN-UHFFFAOYSA-N,3,1,0.462,59,910,447.861,4.323,5,0.396,0.7,1.0,0.72539579192653,0.7365070934137482,0.792577616338839,0.7853128640943047,0.7599483414433555
EOS-3-25630,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)nc1,DCHQDUCOUHKBBX-UHFFFAOYSA-N,3,1,0.671,59,294,447.861,4.323,5,0.396,0.7,1.0,0.9314817353162909,0.8520149407168802,0.7273147830854636,0.7245819340689467,0.8088483482968954
EOS-3-25631,COc1cc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,XXVYFIVXZGKGRK-UHFFFAOYSA-N,3,1,0.444,16,375,447.886,3.828,5,0.365,0.74,1.0,0.49165581522856555,0.48546192858611475,0.6963282160235762,0.5735042149270098,0.5617375436913166
EOS-3-25632,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4ncccc4F)c3)n12,AGOZIRRFOVNOFN-UHFFFAOYSA-N,3,1,0.553,88,161,448.408,4.287,5,0.386,0.69,1.0,0.9706154478788294,0.9563343842094442,0.8977880200123364,0.8963402097183195,0.9302695154547324
EOS-3-25633,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)n[nH]1,LIGXMOODLVECME-UHFFFAOYSA-N,3,1,0.558,47,164,436.838,3.651,5,0.448,0.63,1.0,0.6147025563703653,0.7319237886368309,0.5433315057227058,0.5765626070865603,0.6166301144541155
EOS-3-25634,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cn4)n23)nn1,BGYXHPKRYLPKFK-UHFFFAOYSA-N,3,1,0.269,99,286,470.848,1.339,6,0.363,0.66,0.766,0.11281783291069837,0.1637739017202385,0.012422040984168324,0.028485025015420464,0.07937470015763141
EOS-3-25635,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cc(-c6cncn6C)ccc5F)n34)s2)n1,VZIXBOLDJZLBEG-UHFFFAOYSA-N,3,1,0.302,99,259,458.486,3.25,6,0.399,0.64,1.0,0.13738777328490165,0.28884243711877183,0.19506031115070935,0.2367469673086149,0.21450937221574942
EOS-3-25636,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)cn2)cc1,OZGHJRRXGOPITN-UHFFFAOYSA-N,3,1,0.311,30,158,417.436,3.496,6,0.433,0.74,1.0,0.017288054280035638,0.06367795216229183,0.1720495510931396,0.27509252278802,0.13202702008087175
EOS-3-25637,Clc1ccc(-c2nnc3cncc(OCc4ncnnc4-c4ncc(Cl)cn4)n23)cc1,POWPFOZOULVLCM-UHFFFAOYSA-N,3,1,0.542,73,82,452.265,3.319,5,0.396,0.63,1.0,0.8091117812350079,0.912034815982455,0.21946747995339594,0.41014152559797135,0.5876889006922076
EOS-3-25638,COCCn1nc(C)nc1-c1cncc2nnc(-c3ccc(-c4ccnc(C)n4)cn3)n12,PYBSMEYYWSGRHI-UHFFFAOYSA-N,3,1,0.257,50,974,428.46,2.165,5,0.4,0.64,0.997,0.04075286135288877,0.009457884997601262,0.008421287094784456,0.0053714618600507165,0.0160008738263313
EOS-3-25639,Cc1coc(-c2ncncc2-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)n1,ZTHRMYYNNMSXIV-UHFFFAOYSA-N,3,1,0.478,7,354,438.81,3.311,5,0.407,0.65,0.999,0.620202522102666,0.5541600986909739,0.3546706874100473,0.37890651771640055,0.476984956480022
EOS-3-25640,CCn1nc(C)cc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c1,GBKVQDWMKOQSMR-UHFFFAOYSA-N,3,1,0.454,92,205,455.482,2.451,5,0.395,0.62,1.0,0.26094852991570144,0.1482592008772531,0.06673634432184224,0.028493591940237133,0.12610941676375848
EOS-3-25641,Cn1nnc(-c2ccc(CCc3cncc4nnc(-c5ccc(CO)cc5)n34)s2)n1,WLZIVANJXHNQIP-UHFFFAOYSA-N,3,1,0.446,85,784,418.486,2.321,5,0.451,0.68,0.997,0.18712733877047494,0.12677335343705023,0.06286409430470838,0.07778767733534371,0.11363811596189431
EOS-3-25642,Cc1nc(-c2cnnn2C)cc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)n1,QMUUKSLOINKSJL-UHFFFAOYSA-N,3,1,0.299,98,890,450.47,2.148,6,0.396,0.6,1.0,0.0597714344458913,0.028724898910287164,0.05129017887739017,0.04373415118908917,0.04588016585566445
EOS-3-25643,Cc1cc(OCc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)ccc1Cl,LHUUZIWEBYGTET-UHFFFAOYSA-N,3,1,0.362,14,189,446.873,4.928,5,0.356,0.86,1.0,0.5606709615516414,0.5834761154136111,0.8783582345281338,0.8754197793160168,0.7244812727023509
EOS-3-25644,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)cn5)[nH]4)n23)c(F)c1,YKMJHWICNYYHBU-UHFFFAOYSA-N,3,1,0.302,22,407,457.408,2.712,6,0.428,0.63,0.973,0.2530069906106504,0.3673583030635323,0.3027208553217737,0.3884415050373518,0.327881913508327
EOS-3-25645,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4OC)n23)cc1,HRQBPEJBZWKGFA-UHFFFAOYSA-N,3,1,0.309,52,269,481.52,3.033,6,0.376,0.85,1.0,0.12361215817969981,0.07460078130354328,0.038491193201288465,0.047726338153656366,0.07110761770954697
EOS-3-25646,Fc1ccccc1-c1ncncc1-c1nnc2cncc(-c3ccnc(-c4ccnnc4)c3)n12,XEWGTRIYASGPIQ-UHFFFAOYSA-N,3,1,0.329,94,515,447.437,3.906,6,0.4,0.64,1.0,0.26095709684051815,0.31417483380165856,0.5953927078335961,0.6456291549585361,0.4540384483585772
EOS-3-25647,Fc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)ncn2)n1,BFGYPXONNDJHBF-UHFFFAOYSA-N,3,1,0.384,42,983,447.437,3.906,6,0.4,0.64,1.0,0.2716400520869029,0.3381707902131451,0.5828335960523611,0.6009869097388801,0.4484078370228223
EOS-3-25648,COc1cc(-c2nnnn2C)ncc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,QVVUGMABGOSLQE-UHFFFAOYSA-N,3,1,0.37,98,866,466.469,1.848,6,0.37,0.65,1.0,0.1293948324309506,0.04119834144335549,0.047649235830306357,0.03438763621410459,0.06315751147967925
EOS-3-25649,Cn1cnnc1-c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5COC5)cc4)n23)c(F)c1,KOUUSRJCKMSLKA-UHFFFAOYSA-N,3,1,0.383,61,740,484.495,2.445,6,0.394,0.83,1.0,0.29334007264752243,0.24792680419436638,0.35078130354328013,0.31182749640189156,0.30096891919676516
EOS-3-25650,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)cc1Cl,GFCYVBPYMIGPQF-UHFFFAOYSA-N,3,1,0.58,59,294,451.824,4.154,5,0.371,0.72,1.0,0.932612569392091,0.87548831471455,0.8015728873963403,0.8242238366116099,0.8584744020286479
EOS-3-25652,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccn1,ZLMHZCWVSQSHQO-UHFFFAOYSA-N,3,1,0.5,75,819,432.875,3.257,5,0.38,0.67,1.0,0.617598176958399,0.5403587828113221,0.24439723116989925,0.2634329381125351,0.41644678226303883
EOS-3-25653,COc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)nn2)n1,MSTCCFADVQTDBQ-UHFFFAOYSA-N,3,1,0.398,54,670,430.403,2.765,5,0.375,0.65,0.902,0.7006031115070934,0.5041892262353506,0.3394472620108286,0.25448906860393394,0.44968216708930164
EOS-3-25654,Fc1ccc(-c2nnc3cncc(OCc4nn(-c5cnc(F)cn5)cc4Cl)n23)cc1,OOYHIPWTMMWDLH-UHFFFAOYSA-N,3,1,0.536,73,32,440.801,3.278,5,0.414,0.63,1.0,0.42515077787677336,0.6744482900418066,0.5631810705229251,0.6655129874580221,0.5820732814748818
EOS-3-25655,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccnnc6)n5)n34)cn2)n1C,BOMCHZNLMPBEGI-UHFFFAOYSA-N,3,1,0.275,76,968,446.478,3.414,6,0.405,0.6,1.0,0.17559625796724007,0.0636865190871085,0.2194760468782126,0.19320128846549242,0.1629900280995134
EOS-3-25656,COc1cnc(-c2ccc(F)c(-c3nnc4cncc(OCc5cnc(C)s5)n34)c2)cn1,QSONMZDXYJTNTL-UHFFFAOYSA-N,3,1,0.517,16,253,449.471,3.74,5,0.387,0.72,1.0,0.6403005277225687,0.6072921664039477,0.36204680967719827,0.2634415050373518,0.4682702522102666
EOS-3-25657,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1Cl,MYXLBAAJRKTITH-UHFFFAOYSA-N,3,1,0.585,4,353,452.305,4.473,5,0.391,0.71,1.0,0.545181961483106,0.6744568569666233,0.7065142896305942,0.7612655061339182,0.6718546535535604
EOS-3-25658,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cccs5)cn4)n23)cn1,QJIZTMFXWVUZRF-UHFFFAOYSA-N,3,1,0.284,86,652,438.48,3.167,6,0.412,0.61,1.0,0.029812898362003976,0.06732746213419231,0.11479679254334864,0.14503803714618602,0.08924379754643273
EOS-3-25659,COc1cccc(-n2cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)nn2)c1,MYWSPYIXWOIWMQ-UHFFFAOYSA-N,3,1,0.648,4,104,447.886,3.921,5,0.389,0.75,1.0,0.2822973065588376,0.5358697142073882,0.5734785141525598,0.5240730587348366,0.4789296484134055
EOS-3-25660,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)nn2)n1,SYAHPWPPDDXEFV-UHFFFAOYSA-N,3,1,0.273,86,37,453.857,2.939,6,0.37,0.66,0.999,0.021057501199369475,0.08823932561167844,0.14385580152148586,0.22471043794119663,0.11946576656843261
EOS-3-25661,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)nc2)nn1,GWMHGUKLYYLIJX-UHFFFAOYSA-N,3,1,0.484,19,442,445.433,3.851,5,0.392,0.65,0.999,0.7726852169145364,0.7628589541498184,0.6880611335754917,0.6483277362757864,0.7179832602289082
EOS-3-25662,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c2)cn1,LBKNEBMPTOPOQH-UHFFFAOYSA-N,3,1,0.545,35,4,445.433,3.851,5,0.392,0.65,1.0,0.8273250633952437,0.7966297717771229,0.7476098279761497,0.6888150229593585,0.7650949215269687
EOS-3-25663,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccc2F)cn1,XUANUFOZCUUZJC-UHFFFAOYSA-N,3,1,0.688,59,13,464.407,3.737,5,0.409,0.72,1.0,0.9693304091563293,0.9511685285449935,0.9296655472551573,0.9117435405386882,0.940477006373792
EOS-3-25664,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cn1,WTXPMHLFFLGOTJ-UHFFFAOYSA-N,3,1,0.441,55,823,437.916,4.364,5,0.392,0.75,1.0,0.49405455417723254,0.5221283668014529,0.3809026111986841,0.37551401548900004,0.4431498869165924
EOS-3-25665,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nn1,QKXKZBMMUHCPRI-UHFFFAOYSA-N,3,1,0.631,84,73,443.898,4.227,5,0.388,0.69,1.0,0.6460146665752862,0.745767939140566,0.5734870810773764,0.5922143787266123,0.6393710163799602
EOS-3-25666,Fc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)nc1,KSPRLIQCXYULPT-UHFFFAOYSA-N,3,1,0.412,14,580,447.424,4.505,5,0.381,0.72,1.0,0.5191984785141526,0.6356486875471181,0.8172760605852923,0.8012302104036735,0.6933383592625592
EOS-3-25667,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ncc1F,XVFFHPWASDNKEZ-UHFFFAOYSA-N,3,1,0.419,46,1,453.84,4.097,5,0.398,0.66,0.996,0.637327804811185,0.5729644986635597,0.8759252278802001,0.8824617915153177,0.7421698307175657
EOS-3-25668,Cc1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1cncn1C,VDOADMUXMIDSIJ-UHFFFAOYSA-N,3,1,0.432,31,690,430.447,3.051,5,0.408,0.63,0.938,0.5579723802343911,0.4548865739154273,0.3734665204578165,0.31183606332670827,0.4245403844835858
EOS-3-25669,Fc1cncc(-c2ncc(-c3nnc4cncc(OCCc5ncc(F)cc5F)n34)cn2)c1,YEAMGLOUVXZCAG-UHFFFAOYSA-N,3,1,0.471,2,491,450.384,3.077,5,0.389,0.64,1.0,0.832165375916661,0.8282160235761771,0.5631896374477418,0.5952213693372627,0.7046981015694606
EOS-3-25670,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)nc2)ccn1,TUHPILPFUHNYJO-UHFFFAOYSA-N,3,1,0.505,11,384,448.408,4.287,5,0.361,0.76,1.0,0.857489205674731,0.8808512096497841,0.9131142485093551,0.9060379686107874,0.8893731581111645
EOS-3-25671,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)nc2)no1,RTSKFRVWVVCATE-UHFFFAOYSA-N,3,1,0.314,86,977,424.449,4.027,6,0.417,0.71,1.0,0.2369611404290316,0.15979884860530463,0.2990627784250565,0.3178928791720924,0.2534289116578713
EOS-3-25672,Fc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)c1,NRKSCLQKGXTHFB-UHFFFAOYSA-N,3,1,0.522,19,207,447.861,4.057,5,0.362,0.71,1.0,0.7523302035501337,0.7885682955246385,0.7167517647865123,0.7853214310191213,0.7607429237201014
EOS-3-25673,Cn1ncc(-c2cnc(-c3cncc4nnc(-c5cnc(-c6ccnc(F)c6)nc5)n34)nc2)n1,ZNEUXQUYFSZJGK-UHFFFAOYSA-N,3,1,0.329,86,780,452.417,2.035,6,0.365,0.62,1.0,0.11839490096634912,0.17179254334863958,0.12052806524569941,0.12505140154890002,0.13394172777739705
EOS-3-25674,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(Cl)nn5)cn4)n23)cn1,SGLVGSZYYAIOAU-UHFFFAOYSA-N,3,1,0.375,85,290,429.875,3.18,5,0.419,0.59,1.0,0.37357789048043316,0.3955777534096361,0.18821533822219177,0.20740524981152766,0.2911940579809472
EOS-3-25675,Cc1cnc(-c2c(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cnn2C)cn1,JDIPFZNUFJGNRC-UHFFFAOYSA-N,3,1,0.312,98,42,448.494,3.358,6,0.407,0.6,1.0,0.05446850798437393,0.04120690836817216,0.185011308340758,0.15256836406003702,0.10831377218833527
EOS-3-25676,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)on1,DQZJJESGYDEORR-UHFFFAOYSA-N,3,1,0.436,99,502,455.442,1.949,6,0.366,0.68,1.0,0.37591666095538345,0.22765746007813034,0.04611575628812282,0.031217874031937497,0.17022693783839354
EOS-3-25677,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncccc6C)cc5)n34)n(C)n2)n(C)n1,MCGWWSBRCBDCCA-UHFFFAOYSA-N,3,1,0.284,98,882,462.521,3.666,6,0.394,0.69,1.0,0.04965389623740662,0.05579638133095744,0.07761633883901035,0.0720392707833596,0.0637764717976835
EOS-3-25678,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)n1,NWIZQYUIWZPCNK-UHFFFAOYSA-N,3,1,0.411,7,94,417.82,2.666,5,0.425,0.68,1.0,0.4645072304845453,0.5729730655883764,0.2480810088410664,0.2782023164964704,0.3909409053526146
EOS-3-25679,Cn1cc(-c2cnc(Cl)c(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c2)nn1,OUKRCWHGXCMLKV-UHFFFAOYSA-N,3,1,0.325,42,608,466.896,3.759,6,0.361,0.74,1.0,0.11282639983551504,0.23236070180248097,0.3956976903570694,0.4260246042080735,0.29172734905078473
EOS-3-25680,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)nc1F,JSYWUFHTYHUVEQ-UHFFFAOYSA-N,3,1,0.394,31,602,451.853,2.791,5,0.362,0.66,1.0,0.6286580768967172,0.5541686656157906,0.1816616407374409,0.2247190048660133,0.3973018470289905
EOS-3-25681,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(C(F)(F)F)n5)n34)cn2)no1,WITQSDRTCJEYDF-UHFFFAOYSA-N,3,1,0.478,27,69,454.372,3.538,5,0.393,0.69,1.0,0.577522102666027,0.6073007333287643,0.682612569392091,0.4761239805359468,0.5858898464807073
EOS-3-25682,Cc1cnc(-c2cc(Oc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nnn2)nn1,GUMLETFXURZOHK-UHFFFAOYSA-N,3,1,0.436,36,571,427.388,1.028,5,0.424,0.58,0.98,0.539921869645672,0.1978959632650264,0.02959872524158728,0.013518607360701802,0.19523379137824684
EOS-3-25683,Cn1cncc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4ccccn4)n23)c1,RGUHSJHGEITBPC-UHFFFAOYSA-N,3,1,0.286,32,371,430.475,4.316,6,0.414,0.7,1.0,0.0748320882735933,0.021640052086902884,0.46067781509149475,0.4671115756288123,0.2560653827702008
EOS-3-25684,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ccncc1,UUJUVBGPBIWPRH-UHFFFAOYSA-N,3,1,0.541,4,83,430.493,4.206,5,0.399,0.75,1.0,0.2877630045918717,0.2784421903913371,0.377270235076417,0.26345007196216846,0.30173137550544854
EOS-3-25685,c1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)c1,WDSQTUVBBOECFU-UHFFFAOYSA-N,3,1,0.468,56,425,454.479,3.069,6,0.403,0.66,1.0,0.4204132684531561,0.4413422657802755,0.12600233020355014,0.1204509629223494,0.2770522068398328
EOS-3-25686,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)n(C)n4)n23)ccc1F,OECSJIWUHZWDMI-UHFFFAOYSA-N,3,1,0.447,26,911,452.881,3.78,5,0.389,0.71,1.0,0.40684325954355427,0.6121239120005483,0.5093208142005345,0.49742135563018297,0.506427335343705
EOS-3-25687,COc1ccc(Oc2cncc3nnc(-c4cc(Cl)nc(-c5ccccc5)c4)n23)cn1,BEEBXWBOKREKLY-UHFFFAOYSA-N,3,1,0.476,1,284,430.855,4.703,5,0.373,0.79,1.0,0.7099581934068947,0.6893290384483586,0.6717925433486396,0.6193800973202659,0.6726149681310398
EOS-3-25688,N#Cc1ccn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)n2)n1,UPJPXLICLQNCDR-UHFFFAOYSA-N,3,1,0.271,76,887,443.434,2.763,6,0.403,0.6,0.968,0.026446096909053526,0.08152285655541087,0.24808957576588309,0.2634586388869851,0.15487929202933315
EOS-3-25689,Cc1c(-c2cc(F)cc(-c3nnc4cncc(OCCc5nncs5)n34)c2)cnn1C,NHMYIEDJBCAOFQ-UHFFFAOYSA-N,3,1,0.517,37,460,436.476,3.112,5,0.403,0.65,1.0,0.39616887122198613,0.45489514084024396,0.162471729148105,0.16581282982660545,0.29483714275923517
EOS-3-25690,COc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,XLCQGHZMCSJXBS-UHFFFAOYSA-N,3,1,0.494,58,710,449.471,3.474,5,0.372,0.67,0.999,0.6916421081488588,0.6451322733191693,0.2517219518881502,0.19849564800219313,0.44674799533959286
EOS-3-25691,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c1,VWEXSKFBWXLIPW-UHFFFAOYSA-N,3,1,0.77,91,876,448.889,4.606,5,0.379,0.74,1.0,0.8395757658830786,0.7587039956137345,0.8262027962442602,0.8184068946610924,0.8107223631005414
EOS-3-25692,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,ANNYVSJJTNAUDK-UHFFFAOYSA-N,3,1,0.731,91,781,448.889,4.606,5,0.379,0.74,1.0,0.8903604961962854,0.7673994243026523,0.8746401891576999,0.864634020971832,0.8492585326571174
EOS-3-25693,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nn4)n23)nc1,KZVKRMANUHQWMR-UHFFFAOYSA-N,3,1,0.26,99,652,435.455,2.444,6,0.414,0.59,0.684,0.052763689945857034,0.013501473511068467,0.10390823110136385,0.09612089644301282,0.06657357275032554
EOS-3-25695,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnncc4Cl)n23)cc1F,ZQCOCNLTAFOXCF-UHFFFAOYSA-N,3,1,0.512,16,353,436.838,3.353,5,0.417,0.62,1.0,0.7671681173326023,0.7758378452470701,0.6409773147830855,0.6512747584127202,0.7088145089438695
EOS-3-25696,Cn1nc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)cc1Cl,SAPLNOGVAJSAJK-UHFFFAOYSA-N,3,1,0.411,46,267,436.838,3.353,5,0.417,0.62,1.0,0.357592008772531,0.4194452059488726,0.4606863820163114,0.4974299225549997,0.43378837982317864
EOS-3-25697,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)nc(Cl)c5)n34)c2)cn1,OZLIQGBSTIFPGI-UHFFFAOYSA-N,3,1,0.409,46,565,436.838,3.353,5,0.39,0.64,1.0,0.46451579740936194,0.409970187101638,0.6552069769035707,0.6222157494345829,0.5379771777122884
EOS-3-25698,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cn2)nc1,AGAMLKXMNZWZTG-UHFFFAOYSA-N,3,1,0.31,10,871,453.416,3.774,6,0.401,0.63,0.717,0.03930505105887191,0.22244020286477967,0.5433400726475225,0.6278270851895004,0.3582281029401686
EOS-3-25699,Cc1csc(-c2ccc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)nc2)n1,VAAQYOGPIOBTOJ-UHFFFAOYSA-N,3,1,0.542,1,92,430.493,3.69,5,0.439,0.7,1.0,0.4866013295867315,0.4637019395517785,0.43555959152902474,0.3239325611678432,0.4274488554588445
EOS-3-25700,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)ncn2)nn1,QBWHKOJRZQPASD-UHFFFAOYSA-N,3,1,0.478,44,488,414.404,3.065,5,0.432,0.76,0.824,0.6735401960112398,0.4948769789596327,0.42071311082173946,0.4068518264683709,0.4989955280652457
EOS-3-25702,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ncn1,GYMBWWILLZBNEX-UHFFFAOYSA-N,3,1,0.402,18,194,449.837,2.847,5,0.385,0.62,0.21,0.6707559454458227,0.5932424097046124,0.2444057980947159,0.3209512713316428,0.45733885614419845
EOS-3-25703,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1nc[nH]n1,KGYUDRSMWHYJKW-UHFFFAOYSA-N,3,1,0.484,47,164,437.826,2.78,5,0.403,0.65,1.0,0.8772359673771503,0.8489993831814132,0.3620553766020149,0.397539579192653,0.6214575765883079
EOS-3-25704,Fc1cc(CCOc2cncc3nnc(-c4cncnc4-c4ccc(Cl)cn4)n23)ccn1,IDPZNXSZYXQNOO-UHFFFAOYSA-N,3,1,0.489,58,578,448.849,3.452,5,0.364,0.69,1.0,0.8511154136111302,0.8490079501062299,0.5165941333698856,0.5735127818518264,0.697557569734768
EOS-3-25705,Cc1ncc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(C#N)nc3)n12,IXMPRMDLIMTPOV-UHFFFAOYSA-N,3,1,0.477,92,728,425.416,1.531,5,0.406,0.64,1.0,0.402491261736687,0.3481769583990131,0.10391679802618052,0.08826502638612843,0.23571251113700223
EOS-3-25706,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)ccn3)n12,KFAOJSWYPDXRTK-UHFFFAOYSA-N,3,1,0.435,18,324,448.849,3.452,5,0.389,0.61,1.0,0.7402251387841821,0.7040641491330272,0.5922914810499623,0.6193886642450825,0.6639923583030636
EOS-3-25707,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)s1,AGRXSRFGSAFELS-UHFFFAOYSA-N,3,1,0.371,53,924,438.864,2.431,5,0.403,0.61,0.994,0.4068518264683709,0.4679511342608457,0.016088684805702146,0.025615105201836748,0.2291266876841889
EOS-3-25708,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nn2)s1,NGWLTVRMKQVKKJ-UHFFFAOYSA-N,3,1,0.389,53,587,438.864,2.431,5,0.403,0.61,0.821,0.3526488931533137,0.4591786032485779,0.02321636625316976,0.037523130697005004,0.2181417483380166
EOS-3-25709,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5scnc5C)n34)c(F)n2)ncn1,HLNOIJJDCWYJKM-UHFFFAOYSA-N,3,1,0.451,58,486,434.46,3.435,5,0.388,0.69,1.0,0.5775306695908436,0.616981358371599,0.16553868823247206,0.12910355698718387,0.37228856829552465
EOS-3-25710,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)cn5)n34)nc2)ccn1,JRKHTWTZIDPRSP-UHFFFAOYSA-N,3,1,0.317,32,72,460.476,4.82,6,0.372,0.78,1.0,0.22587553971626345,0.34818552532382974,0.6612038242752382,0.6772839421561236,0.4781372078678638
EOS-3-25711,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)nn1,GPKQTYDYQKOXEI-UHFFFAOYSA-N,3,1,0.671,84,360,445.433,3.851,5,0.392,0.67,1.0,0.8141319991775752,0.7758464121718868,0.7523045027756836,0.7084761154136111,0.7626897573846891
EOS-3-25712,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nc5)n34)nc2)nn1,XJAMABQAVCODPX-UHFFFAOYSA-N,3,1,0.266,99,813,436.443,1.839,6,0.406,0.58,0.994,0.026454663833870195,0.008035775478034404,0.055222397368240694,0.049234116921389896,0.0347367384003838
EOS-3-25713,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(C#N)ccc4F)n23)c(C)n1,LDYOJKHFOWSCAV-UHFFFAOYSA-N,3,1,0.429,26,448,454.469,3.968,5,0.382,0.7,0.954,0.6064868754711809,0.5541772325406072,0.6377218833527517,0.5605338907545747,0.5897299705297787
EOS-3-25714,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)cn2)nc1,DKMVRQKRLYSHJS-UHFFFAOYSA-N,3,1,0.286,86,927,420.4,1.681,6,0.414,0.66,1.0,0.006939209101500925,0.031569117949420876,0.026223356863820164,0.040016105818655334,0.026186947433349324
EOS-3-25715,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)nc1,GWFRWOREAJNSHA-UHFFFAOYSA-N,3,1,0.528,44,692,444.445,4.456,5,0.385,0.7,1.0,0.6916506750736755,0.5834846823384278,0.817284627510109,0.7809008978137207,0.7183302206839832
EOS-3-25716,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)c2)nn1,BFEYZFKMBSIJME-UHFFFAOYSA-N,3,1,0.494,53,785,422.412,2.192,5,0.414,0.64,0.889,0.4940631211020492,0.31942635871427594,0.26948975395791924,0.2135648687547118,0.32413602563223903
EOS-3-25717,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4)n23)nc1,KWLIKSIQXRHMJY-UHFFFAOYSA-N,3,1,0.386,41,318,447.462,3.836,6,0.392,0.66,1.0,0.3982677678020698,0.2888510040435885,0.44649098759509287,0.3723356863820163,0.3764863614556918
EOS-3-25718,Fc1ncccc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,DRJVWRIDLIMGIV-UHFFFAOYSA-N,3,1,0.506,35,352,447.861,4.057,5,0.362,0.74,1.0,0.8828216023576178,0.8888355835789186,0.7637327804811185,0.7736618463436364,0.8272629531903228
EOS-3-25719,Cn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)nc2)n1,DNAJGTURTRLPKO-UHFFFAOYSA-N,3,1,0.412,51,986,429.404,0.45,5,0.4,0.63,1.0,0.3711191830580495,0.1561065040093208,0.020277911041052702,0.006211020492084162,0.13842865465012677
EOS-3-25720,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ccn2)cn1,BAKDBIXSKGUUTQ-UHFFFAOYSA-N,3,1,0.458,65,329,447.89,3.135,5,0.374,0.66,1.0,0.3917397710917689,0.3719758755397163,0.1260108971283668,0.14025769309848538,0.25749605921458435
EOS-3-25721,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccccc4-c4cccs4)n23)cn1,VHUIFGWFPVTTCF-UHFFFAOYSA-N,3,1,0.309,32,522,436.504,4.377,6,0.408,0.72,1.0,0.12362072510451648,0.11035055856349804,0.2658573778356521,0.32394112809265985,0.20594244739908163
EOS-3-25722,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)s1,KDZOMJCTZXAJKO-UHFFFAOYSA-N,3,1,0.244,42,369,436.504,4.377,6,0.408,0.72,0.999,0.09289973271194572,0.07110547597834281,0.37347508738263313,0.3916369679939689,0.23227931601672264
EOS-3-25723,Cn1cncc1-c1nc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,DICYTZWOXXMOEG-UHFFFAOYSA-N,3,1,0.447,89,398,484.495,3.197,6,0.378,0.87,0.998,0.4716863134809129,0.27338770474950314,0.20902439860187788,0.2105064765951614,0.29115122335686383
EOS-3-25724,Cn1nc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)cn5)c4)n23)cc1F,MEEAUSKHAYQVFR-UHFFFAOYSA-N,3,1,0.458,87,307,434.41,2.882,5,0.405,0.64,1.0,0.5298385991364539,0.4238400383798232,0.4279864299910904,0.42925433486395725,0.4527298505928312
EOS-3-25725,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1Cl,HNIBMMZSZMMPPL-UHFFFAOYSA-N,3,1,0.467,27,343,466.839,4.208,5,0.366,0.76,1.0,0.8011359742306902,0.8669470906723322,0.8732180796381331,0.8383849633335618,0.8449215269686793
EOS-3-25726,CCn1c(-c2nnccc2F)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,DJYJNMOMNUIJDA-UHFFFAOYSA-N,3,1,0.313,8,474,465.456,3.123,6,0.377,0.65,1.0,0.19283291069837571,0.2428380508532657,0.04612432321293948,0.09612946336782949,0.1444811870331026
EOS-3-25727,Cc1cc(-c2ncn(C)n2)ccc1-c1nnc2cncc(OCc3ccncc3F)n12,WROWZHAHUXQAEF-UHFFFAOYSA-N,3,1,0.477,16,256,416.42,3.008,5,0.435,0.72,1.0,0.55041635254609,0.5084983894181344,0.44998629292029335,0.3660389966417655,0.4687350078815708
EOS-3-25729,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)ccn2)nc1,UGLLZXWWRCSBQM-UHFFFAOYSA-N,3,1,0.506,24,912,435.369,3.64,5,0.389,0.66,1.0,0.9185285449934891,0.8128469604550751,0.8281988897265438,0.8034661777808237,0.840760143238983
EOS-3-25730,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ccn2)c1,MJJDNUIXMHLVHW-UHFFFAOYSA-N,3,1,0.462,59,379,451.824,4.154,5,0.371,0.76,1.0,0.8687375779590158,0.845598314029196,0.7499914330751833,0.8034747447056405,0.8169505174422589
EOS-3-25731,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccon5)cn4)n23)c1,QVRORNSUJGEBST-UHFFFAOYSA-N,3,1,0.446,6,826,452.438,2.611,6,0.371,0.68,1.0,0.35510760057569735,0.18049653896237405,0.14100301555753547,0.13554588444931806,0.20303825988623123
EOS-3-25732,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3cncc(C(F)F)n3)n12,PWOBXPUWVRJFGZ-UHFFFAOYSA-N,3,1,0.452,27,343,462.42,3.564,5,0.358,0.71,1.0,0.7099667603317114,0.5683126584881091,0.5859776574600781,0.410150092522788,0.5686017922006716
EOS-3-25734,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnns5)c4)n23)cn1,BFVAMLCIJCNOSP-UHFFFAOYSA-N,3,1,0.454,92,986,472.494,1.966,6,0.373,0.71,1.0,0.2340055513672812,0.11334898224933178,0.018478856829552463,0.0237646494414365,0.0973995099719005
EOS-3-25735,CC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(C#N)c5)c4)n23)cc1F,YIMWTLCFOXANSF-UHFFFAOYSA-N,3,1,0.352,61,246,423.411,3.857,5,0.407,0.72,1.0,0.03115790555822082,0.23236926872729766,0.8155198409978754,0.7663970940991022,0.461361027345624
EOS-3-25736,CCn1ncc(-c2nc(COc3cncc4nnc(-c5ccc(C)nn5)n34)ccc2F)n1,LYCOTIJLLGFTQW-UHFFFAOYSA-N,3,1,0.392,53,587,432.423,2.281,5,0.398,0.65,0.387,0.28501302172572135,0.2942567336029059,0.03445617161263793,0.03222020423548763,0.1614865327941882
EOS-3-25737,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4F)n23)c(F)c1,UDWOUVXVWSUJAN-UHFFFAOYSA-N,3,1,0.494,43,520,462.395,3.455,5,0.394,0.67,1.0,0.8553046398464808,0.8551504351997807,0.8940185730930026,0.8696114042903159,0.868521263107395
EOS-3-25738,Cc1nc(Cc2cncc3nnc(-c4ccc(C(F)F)c(F)c4)n23)cc(-c2cncnn2)n1,YCVZIHPLEHVLOV-UHFFFAOYSA-N,3,1,0.333,85,60,449.4,3.409,5,0.402,0.59,1.0,0.39404427386745255,0.4722945651428963,0.6826211363169077,0.6483363032006031,0.5493240696319649
EOS-3-25739,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)nc4)n23)n1,RWOLMEOWQMKCJU-UHFFFAOYSA-N,3,1,0.474,58,579,428.431,3.107,5,0.406,0.64,0.952,0.769832430950586,0.7842848331163046,0.284661777808238,0.2452624905763827,0.5210103831128777
EOS-3-25740,Fc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nc1,YJPNKPSDUOYXJD-UHFFFAOYSA-N,3,1,0.667,34,293,450.836,4.759,5,0.384,0.76,1.0,0.9859331094510314,0.9850078815708313,0.9151703104653554,0.9287060516756905,0.9537043382907271
EOS-3-25741,Fc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,QBNQXQXMVLDDLS-UHFFFAOYSA-N,3,1,0.312,94,327,447.437,3.906,6,0.4,0.63,0.902,0.3115276540333082,0.42384860530463986,0.6718011102734562,0.6714241655815228,0.5196503837982318
EOS-3-25742,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cnc(-c4cccnc4F)nc3F)n12,SRSHWZWZGHSMLA-UHFFFAOYSA-N,3,1,0.333,96,478,444.405,2.996,5,0.334,0.71,1.0,0.23401411829209787,0.23742375436913166,0.46400178192036184,0.4006236721266534,0.33401583167706117
EOS-3-25743,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(C5CC(F)(F)C5)c4)n23)nc1,CNZDWZUGYNWPQV-UHFFFAOYSA-N,3,1,0.26,50,974,433.426,3.421,6,0.431,0.64,0.999,0.04228634089507231,0.1444811870331026,0.5399304365704887,0.5345932424097046,0.31532280172709204
EOS-3-25744,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cc1,VXRUKIBIIBZQGT-UHFFFAOYSA-N,3,1,0.367,74,845,409.413,2.065,5,0.478,0.84,1.0,0.18713590569529162,0.07111404290315948,0.23023610444794737,0.14988691659241998,0.15959324240970463
EOS-3-25745,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cc(F)cc(F)c5)c4)n23)c1,IWQDGTQFEPTFHC-UHFFFAOYSA-N,3,1,0.264,64,673,466.455,4.688,6,0.375,0.79,1.0,0.02310499623055308,0.10725789870468097,0.7065228565554109,0.7560825166198342,0.3982420670276198
EOS-3-25746,Cc1cc(F)cc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n1,QPMRZEQGBKKEFY-UHFFFAOYSA-N,3,1,0.458,87,822,428.431,3.107,5,0.406,0.65,1.0,0.6707645123706394,0.5834932492632444,0.36943149886916593,0.3369371530395449,0.4901566033856487
EOS-3-25747,Cc1cccc(-c2nc(C)ccc2-c2nnc3cncc(-c4ccc(-c5ncnn5C)nc4)n23)n1,VITUKWDDMCXMMT-UHFFFAOYSA-N,3,1,0.267,70,522,460.505,3.723,6,0.391,0.67,0.755,0.08796518401754506,0.05580494825577411,0.1316822013570009,0.1087142759235145,0.09604165238845865
EOS-3-25748,Fc1ccc(Cl)cc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1,ZHZKGVHMYMPXFJ-UHFFFAOYSA-N,3,1,0.278,22,952,460.824,2.407,6,0.419,0.63,0.791,0.07106264135425948,0.3141834007264752,0.14677712288396957,0.28682064286203823,0.20471095195668562
EOS-3-25749,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)s2)nn1,XDFPAGQKNOWOHW-UHFFFAOYSA-N,3,1,0.283,76,272,437.492,3.772,6,0.414,0.64,0.99,0.020003769446919333,0.037488862997738334,0.22291995065451306,0.2544976355287506,0.13372755465698033
EOS-3-25750,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)cn4)n23)nc1,GAVGLFUSKKDGOE-UHFFFAOYSA-N,3,1,0.456,46,775,414.404,3.065,5,0.432,0.78,1.0,0.6314937290110342,0.5835018161880612,0.32471215132615994,0.2751010897128367,0.453702196559523
EOS-3-25752,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cc5)n34)cn2)n1,AUXRPKWDNJQXDU-UHFFFAOYSA-N,3,1,0.281,42,339,431.463,4.009,6,0.449,0.63,0.988,0.08797375094236173,0.09119491467342883,0.4029110410527037,0.3789150846412172,0.24024869782742786
EOS-3-25753,c1csc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)n2)c1,DWHQLOPVKBDCSQ-UHFFFAOYSA-N,3,1,0.276,94,165,435.476,3.829,6,0.411,0.64,0.989,0.09059522993626208,0.18896066068124187,0.22645809060379687,0.25450620245356725,0.19013004591871702
EOS-3-25754,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cncc(F)c4Cl)n23)c1,RYDVQLWDQRXMOE-UHFFFAOYSA-N,3,1,0.489,16,79,436.838,3.353,5,0.417,0.61,1.0,0.5117195531492016,0.49958878760879993,0.6636539647728051,0.6802395312178741,0.5888004591871702
EOS-3-25755,Cn1cc(-c2ccc(F)nn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,DPNGLVFKAAPMAJ-UHFFFAOYSA-N,3,1,0.561,34,32,436.838,3.353,5,0.417,0.61,0.999,0.8321739428414776,0.8888441505037352,0.39936433417860323,0.4790795695976972,0.6498654992803783
EOS-3-25756,Fc1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)nn1,OHOHEJZZRSDCEZ-UHFFFAOYSA-N,3,1,0.423,85,476,434.385,3.706,5,0.416,0.61,0.99,0.3759252278802001,0.47680076759646356,0.7730278939072031,0.721840518127613,0.5868986018778699
EOS-3-25757,Fc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cnn1,UKGSHTDXEITHFQ-UHFFFAOYSA-N,3,1,0.376,85,81,434.385,3.706,5,0.416,0.61,0.616,0.36206394352683163,0.45027756836406,0.8207627989856761,0.7689157699952025,0.6005050202179425
EOS-3-25758,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nn5)n34)nc2)n1,SKTLGOKXPXJQBW-UHFFFAOYSA-N,3,1,0.418,53,52,466.387,2.735,5,0.381,0.67,1.0,0.5192070454389692,0.5358782811322048,0.5433486395723391,0.36604756356658213,0.4911203824275238
EOS-3-25759,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1F,PMPCPKKVDLIUEI-UHFFFAOYSA-N,3,1,0.536,36,610,441.879,4.02,5,0.409,0.65,1.0,0.5862175313549448,0.7272462476869302,0.5468011102734562,0.5889760811459118,0.6123102426153108
EOS-3-25760,Cc1nc(-c2cnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)nn1C,HFYMOPIUOMEECP-UHFFFAOYSA-N,3,1,0.467,46,128,451.853,3.057,5,0.401,0.64,0.997,0.41568432595435545,0.49488554588444933,0.18501987526557467,0.2337656774724145,0.33233885614419845
EOS-3-25761,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nn1,RWGFAYZRMGKRCA-UHFFFAOYSA-N,3,1,0.314,3,783,458.848,3.617,6,0.429,0.61,1.0,0.04652696867932287,0.25273284901651705,0.5598999383181413,0.6655215543828388,0.381170327599205
EOS-3-25762,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)cc1,PDRXABLPLPWFOR-UHFFFAOYSA-N,3,1,0.506,56,415,450.466,2.747,6,0.381,0.61,1.0,0.35760057569734766,0.2121256253855116,0.27731992324035365,0.21357343567952847,0.2651548900006853
EOS-3-25763,FC(F)(F)c1cnc(COc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)nc1,LNOWJAVKMAXALE-UHFFFAOYSA-N,3,1,0.422,51,283,457.401,3.093,5,0.392,0.64,1.0,0.48660989651154823,0.5783530943732438,0.7141302857926118,0.5889846480707285,0.5920194811870331
EOS-3-25764,Cc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)s2)ccn1,VZYOLBIGJHVKNY-UHFFFAOYSA-N,3,1,0.375,74,139,414.454,2.779,5,0.479,0.73,1.0,0.065014392433692,0.04121547529298883,0.10643547392228085,0.07604002467274347,0.07217634158042628
EOS-3-25765,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)cn2)n1,JIRNUFYHAPNWFV-UHFFFAOYSA-N,3,1,0.465,65,779,434.851,2.345,5,0.427,0.62,0.992,0.5693406894661093,0.645140840243986,0.055230964293057364,0.07402679734082654,0.3359348228359948
EOS-3-25766,Fc1ccc(F)c(COc2cncc3nnc(-c4cnnc(-c5cccnc5F)c4)n23)c1,BSSYXCHBBIXBIC-UHFFFAOYSA-N,3,1,0.473,59,109,435.369,3.64,5,0.389,0.67,1.0,0.7494859845109999,0.7966383387019396,0.8783668014529504,0.8795233363032006,0.8260036152422726
EOS-3-25767,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccnn5)n34)nc2)n1,MGHNQRNTOPOLSL-UHFFFAOYSA-N,3,1,0.265,99,14,434.427,1.896,6,0.404,0.59,1.0,0.07676821328216024,0.05969433212254129,0.038499760126105134,0.047734905078473035,0.05567430265231992
EOS-3-25768,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)cn1,WLFDBMUEROOZST-UHFFFAOYSA-N,3,1,0.524,27,343,449.396,4.299,5,0.357,0.76,1.0,0.9668031663354122,0.9160184360222055,0.89991261736687,0.8581317250359811,0.9102164861901172
EOS-3-25769,c1cncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)cn2)c1,XPEQUGPDVCNSBN-UHFFFAOYSA-N,3,1,0.309,86,927,420.4,1.681,6,0.414,0.67,1.0,0.011428277705434857,0.037497429922554996,0.03578404495922144,0.05583064903022411,0.035135100404358854
EOS-3-25770,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5ccc(Cl)nn5)c4)n23)nn1,YMDDJJOGRZGHAP-UHFFFAOYSA-N,3,1,0.376,53,97,466.292,3.628,5,0.358,0.69,0.317,0.6176067438832157,0.607309300253581,0.33219964361592763,0.4101586594476047,0.4918185868000823
EOS-3-25771,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cc(F)cc(-c4cncc(CO)c4)c3)n12,WTGZGDJCSLSRCF-UHFFFAOYSA-N,3,1,0.327,62,648,454.465,3.559,5,0.419,0.67,1.0,0.2906157905558221,0.2835652114317045,0.79951682544034,0.7166146939894456,0.522578130354328
EOS-3-25773,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1,HJHIZPSEHKDTQY-UHFFFAOYSA-N,3,1,0.556,7,817,416.832,3.271,5,0.43,0.7,1.0,0.7372010143238983,0.9215612363785896,0.502193132753067,0.537548831471455,0.6746260537317524
EOS-3-25774,Clc1cnc(COc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)nc1,GNRASKKLCLVYEC-UHFFFAOYSA-N,3,1,0.488,51,196,416.832,3.271,5,0.43,0.7,1.0,0.5746436159276266,0.6214704269755329,0.35467925433486397,0.39453258858200263,0.4863314714550065
EOS-3-25775,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnnn5)n4)n23)cn1,HDGJBLMKNVQEJR-UHFFFAOYSA-N,3,1,0.286,76,14,433.439,2.501,6,0.412,0.59,1.0,0.0879823178671784,0.07112260982797615,0.1530481118497704,0.14989548351723667,0.1155121307655404
EOS-3-25776,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)nc1,MEGWPHZHLFCRPI-UHFFFAOYSA-N,3,1,0.553,75,359,428.431,3.107,5,0.406,0.63,1.0,0.8687461448838325,0.7180710712082791,0.34686621890206293,0.31497155780960867,0.5621637482009458
EOS-3-25777,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,JXYFCPKTVRERTL-UHFFFAOYSA-N,3,1,0.284,42,174,418.42,3.965,6,0.423,0.76,0.999,0.15678329106983757,0.11035912548831471,0.4131142485093551,0.4418305804948256,0.28052181139058324
EOS-3-25778,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cccc(F)n1,SFUSJPWDJJYKRQ-UHFFFAOYSA-N,3,1,0.417,95,954,450.865,3.396,5,0.366,0.71,0.999,0.4691248029607292,0.4281749023370571,0.3062418614214242,0.37892365156603386,0.3956163045713111
EOS-3-25779,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCc3nnc(C(F)F)o3)n12,CBUHYMNSHANYBB-UHFFFAOYSA-N,3,1,0.506,4,534,439.357,3.892,5,0.393,0.72,1.0,0.614711123295182,0.7319323555616476,0.6826297032417243,0.6456377218833528,0.6687277259954767
EOS-3-25780,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)nc1,UIGAJLPIYMXIOY-UHFFFAOYSA-N,3,1,0.547,46,1,449.877,4.441,5,0.381,0.73,0.935,0.709975327256528,0.6023233500102803,0.7637413474059351,0.7458022068398328,0.705460557878144
EOS-3-25781,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1F,AHCRZEBDBXZPOO-UHFFFAOYSA-N,3,1,0.576,43,521,432.434,4.532,5,0.394,0.74,1.0,0.8441162360359126,0.6794942087588239,0.8634346514974984,0.8405009937632787,0.8068865225138785
EOS-3-25782,Cn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)n1,FLCPSNDLADYCQK-UHFFFAOYSA-N,3,1,0.382,92,986,469.469,1.243,6,0.369,0.7,1.0,0.3088376396408745,0.1333613186210678,0.009714892742101295,0.006844972928517579,0.11468970598314031
EOS-3-25783,Cc1nn(C)cc1-c1cccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)c1,YTSAWTPMOIHNJY-UHFFFAOYSA-N,3,1,0.5,16,55,433.422,3.752,5,0.393,0.68,1.0,0.47933657734219726,0.3862569392091015,0.745099719004866,0.6483448701254197,0.5647595264203962
EOS-3-25784,Fc1cc(CCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cnc1-c1cccnn1,BXWCHYRNZSWGGI-UHFFFAOYSA-N,3,1,0.356,85,580,448.412,3.9,5,0.389,0.66,0.152,0.4645243643341786,0.6121324789253649,0.6853368514837914,0.6627201699677884,0.6061784661777808
EOS-3-25786,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)[nH]1,WLNCXVLEAXVYFP-UHFFFAOYSA-N,3,1,0.438,55,283,446.862,2.387,5,0.418,0.72,1.0,0.5636179836885752,0.5041977931601672,0.20903296552669454,0.19034850250154203,0.36679931121924475
EOS-3-25787,Fc1cncc(CCOc2cncc3nnc(-c4ncc(-c5cnccn5)cc4F)n23)c1,WZDYIWQSSFXFKK-UHFFFAOYSA-N,3,1,0.44,65,324,432.394,2.938,5,0.403,0.6,0.999,0.7641696936467686,0.727254814611747,0.495048317455966,0.5108799945171681,0.6243382050579125
EOS-3-25789,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4Cl)n23)cn1,AHQFPQKHHFRQFM-UHFFFAOYSA-N,3,1,0.588,72,386,447.861,4.057,5,0.362,0.72,1.0,0.9185371119183058,0.9434068946610924,0.7375265574669316,0.7638784182030018,0.840837245562333
EOS-3-25790,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nn2)cc1,FRMCFYWXDYLFJQ-UHFFFAOYSA-N,3,1,0.357,93,991,416.448,4.101,6,0.43,0.78,1.0,0.005054485641834007,0.026309026111986843,0.5197467617024193,0.583013501473511,0.2835309437324378
EOS-3-25791,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cocn6)nn5)n34)nc2)nc1,YHVQNEOIHUYYLO-UHFFFAOYSA-N,3,1,0.471,6,826,450.422,2.667,6,0.369,0.65,1.0,0.3115362209581249,0.2323778356521143,0.08690288534027825,0.09022685216914536,0.1802609485299157
EOS-3-25792,Cc1ccc(F)c(-c2cc(Cc3cncc4nnc(-c5ccc(C#N)cc5)n34)ncn2)c1,DNJRTLXSHAXRCO-UHFFFAOYSA-N,3,1,0.442,14,319,421.439,4.158,5,0.433,0.7,1.0,0.527337057089987,0.5593859228291412,0.8416746624631622,0.8362946336782948,0.6911730690151463
EOS-3-25793,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)n1,OZSAVPKEISTZFM-UHFFFAOYSA-N,3,1,0.494,56,415,452.438,2.611,6,0.371,0.67,1.0,0.42272633815365634,0.21706017407991227,0.10644404084709752,0.09023541909396203,0.20911649304365704
EOS-3-25794,c1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)cn1,WZYGOVAQNGBNBX-UHFFFAOYSA-N,3,1,0.437,56,621,450.422,2.667,6,0.369,0.64,1.0,0.5399304365704887,0.39558632033445273,0.23389418134466453,0.18757281886094168,0.3392459392776369
EOS-3-25795,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(Cl)c4F)n23)cc1,GHKDXUWQUZLOKE-UHFFFAOYSA-N,3,1,0.404,0,999,407.836,4.143,5,0.551,0.9,1.0,0.3620725104516483,0.4147248303748886,0.6552155438283873,0.7901446096909054,0.5555393735864574
EOS-3-25796,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCOc5ccccc5)n34)c2)cn1,VZXXJHPHIMDCBH-UHFFFAOYSA-N,3,1,0.628,91,309,430.443,3.789,5,0.366,0.74,1.0,0.6176153108080323,0.5267373723528203,0.7246419025426633,0.6567661572202043,0.63144018573093
EOS-3-25797,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)nc(CF)n1,MYWWSOICRGGMSN-UHFFFAOYSA-N,3,1,0.434,27,506,462.876,4.049,5,0.372,0.72,1.0,0.6767956274415736,0.6356572544719348,0.35826879583304777,0.34975327256528,0.505118737577959
EOS-3-25798,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccno5)cn4)n23)c(F)c1)N1CC(F)(F)C1,COKFOSCYWQPKOF-UHFFFAOYSA-N,3,1,0.33,82,523,477.406,3.739,6,0.389,0.75,0.988,0.2288139949283805,0.31419196765129187,0.4917586183263656,0.5889932149955452,0.4059394489753958
EOS-3-25799,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cnccc4F)n23)c1,GNVGMFOTIQFIFZ-UHFFFAOYSA-N,3,1,0.418,18,211,430.447,3.225,5,0.391,0.65,1.0,0.4505517099581934,0.2576930984853677,0.3919196765129189,0.34325954355424576,0.36085600712768146
EOS-3-25800,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)s2)n1C,WPHHWIHLEUQAKM-UHFFFAOYSA-N,3,1,0.319,38,608,451.519,4.081,6,0.398,0.67,1.0,0.11562778425056541,0.10054999657323008,0.09167466246316222,0.10441367966554725,0.10306653073812624
EOS-3-25801,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cc(-c4nccs4)ccn3)n12,GSRCKKWWDUHJBY-UHFFFAOYSA-N,3,1,0.44,18,181,453.89,4.119,5,0.382,0.72,1.0,0.5606795284764581,0.5498766362826399,0.4317901446096909,0.5007710232335001,0.5107793331505723
EOS-3-25802,Clc1ccc(-c2ncncc2-c2cc(-c3nnc4cncc(Cl)n34)ccn2)cn1,SILYVFVKQGXYLO-UHFFFAOYSA-N,3,1,0.515,55,525,421.251,4.012,5,0.406,0.73,1.0,0.2581814131999178,0.36234665204578165,0.6409858817079022,0.7458107737646494,0.5018311801795627
EOS-3-25803,Fc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)nc1,BAVYCVRCNVCUPR-UHFFFAOYSA-N,3,1,0.512,13,145,436.809,4.972,5,0.395,0.75,1.0,0.8296467000205606,0.8582259612089644,0.9021657185936536,0.9181601672263724,0.8770496367623877
EOS-3-25804,Clc1cnc(-c2nnc(-c3cncc4nnc(-c5cccnc5-c5cccnn5)n34)[nH]2)nc1,JBBZEKHBUGLIMP-UHFFFAOYSA-N,3,1,0.262,99,407,454.845,2.539,6,0.421,0.59,0.761,0.19540298814337606,0.2888595709684052,0.05523953121787403,0.12269549722431636,0.16554939688849293
EOS-3-25805,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(F)cn5)nc4)n23)cc1,QDWNVNDFASIMNM-UHFFFAOYSA-N,3,1,0.579,16,863,414.404,3.065,5,0.432,0.74,1.0,0.9639932149955452,0.8282245905009937,0.30625042834624083,0.2868292097868549,0.5963243609074087
EOS-3-25806,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cscn5)n4)n23)cn1,VWABTLBDCFOQJV-UHFFFAOYSA-N,3,1,0.511,27,69,438.423,3.616,5,0.396,0.68,0.998,0.5606880954012747,0.6214789939003496,0.45381570831334384,0.3691230895757659,0.5012764717976835
EOS-3-25807,c1ccc(-c2cnnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)cc1,QMLUATMFKXMEAN-UHFFFAOYSA-N,3,1,0.319,30,220,429.447,3.767,6,0.417,0.64,0.613,0.08557501199369474,0.0912034815982455,0.21948461380302928,0.33360461928586116,0.18246693167020767
EOS-3-25808,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccncn6)cn5)n34)cn2)n1C,YOECONUKMSKYQX-UHFFFAOYSA-N,3,1,0.286,86,443,447.466,2.809,6,0.401,0.59,1.0,0.20109999314646015,0.07113117675279282,0.13169076828181756,0.10442224659036392,0.12708604619285863
EOS-3-25809,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)o1,INPOXLPLZJOCMC-UHFFFAOYSA-N,3,1,0.467,16,379,437.822,3.916,5,0.381,0.72,1.0,0.772693783839353,0.6744654238914399,0.49856932355561645,0.48220649715578096,0.6069837571105476
EOS-3-25810,COCc1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(F)cn5)c4)n23)cn1,WPMTUTPBIPDFSG-UHFFFAOYSA-N,3,1,0.395,82,859,414.404,2.991,5,0.432,0.77,0.997,0.3805342334315674,0.4238571722294565,0.5166027002947022,0.4545267630731273,0.4438802172572134
EOS-3-25811,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(C#N)n5C)nc4)n23)cc1,KESNELGPTQCVRG-UHFFFAOYSA-N,3,1,0.552,89,398,465.477,2.397,5,0.404,0.69,0.992,0.5451905284079227,0.2374323212939483,0.28467034473305464,0.15257693098485367,0.30496753135494487
EOS-3-25812,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)s1,ZRRVVTCXSIRFRC-UHFFFAOYSA-N,3,1,0.482,55,879,421.873,3.937,5,0.424,0.74,1.0,0.5636265506133918,0.6257967240079501,0.41312281543417173,0.4384123774929751,0.5102396168871222
EOS-3-25813,COc1ncc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cc5)n34)n2)cn1,GEYMSUFJASZUQT-UHFFFAOYSA-N,3,1,0.333,42,106,467.424,3.508,6,0.347,0.76,1.0,0.5273456240148037,0.494894112809266,0.29907134534987323,0.2782108834212871,0.3998804913988075
EOS-3-25814,CCCOc1ncccc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)c(F)c3)n12,CTOGNAVLZMNBND-UHFFFAOYSA-N,3,1,0.314,39,961,445.433,4.377,5,0.383,0.75,1.0,0.5746521828524432,0.5541857994654239,0.49176718525118224,0.504309163182784,0.5312285826879584
EOS-3-25815,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)nc4)n23)cc1,PLUVDKRMJAGBHX-UHFFFAOYSA-N,3,1,0.316,64,449,464.439,4.651,6,0.375,0.78,0.977,0.30377458707422383,0.4007436090740868,0.7195274484271126,0.7876430676444384,0.5529221780549654
EOS-3-25816,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)nc(CO)n1,YKZBZCDVOXDPLW-UHFFFAOYSA-N,3,1,0.43,7,128,433.407,1.587,5,0.424,0.64,0.972,0.4317901446096909,0.33817935713796177,0.09617229799191282,0.09215441025289563,0.23957405249811528
EOS-3-25817,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cc2Cl)n1,BPZBFMDTULCUKU-UHFFFAOYSA-N,3,1,0.506,16,772,448.849,3.718,5,0.4,0.63,1.0,0.8371341923103283,0.8456068809540127,0.6139658008361318,0.6338153656363512,0.732630559934206
EOS-3-25818,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nn5)ncc4F)n23)cc1,PQRYBYWTBBFOHP-UHFFFAOYSA-N,3,1,0.608,34,389,435.369,3.64,5,0.416,0.61,1.0,0.9608577205126447,0.9469878692344595,0.840004112123912,0.8423086148995956,0.897539579192653
EOS-3-25819,Cn1nc(-c2cnc(C(F)F)cn2)nc1-c1cncc2nnc(-c3ccc(C(N)=O)nn3)n12,SJQDFTTZVJRPAR-UHFFFAOYSA-N,3,1,0.303,50,542,450.373,0.87,5,0.405,0.57,0.202,0.10000171338496333,0.12678192036186692,0.017690699746419025,0.013972654375985197,0.06461174696730862
EOS-3-25820,Cn1cc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccs5)n34)cn2)cn1,CASZWTSCDGHQHJ-UHFFFAOYSA-N,3,1,0.248,86,953,426.469,2.896,6,0.427,0.69,0.999,0.0003940785415667192,0.008044342402851073,0.08943869508601192,0.1022719484613803,0.050037266122952506
EOS-3-25821,Cc1ncnc(C)c1-c1ccc(-c2cncc3nnc(-c4cc(F)ccc4F)n23)c(F)c1,PYEGEKZDDOUSKQ-UHFFFAOYSA-N,3,1,0.346,45,46,432.409,4.949,5,0.404,0.78,0.935,0.38054280035638405,0.5449249537386059,0.9160527037214722,0.9137653347954219,0.688821448152971
EOS-3-25822,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)cn1,YHCUSHUQQHXMAW-UHFFFAOYSA-N,3,1,0.462,92,185,435.398,2.893,5,0.401,0.64,1.0,0.4068603933931876,0.4281834692618738,0.5891045850181619,0.4324497978205743,0.46414956137344937
EOS-3-25823,Fc1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(Cl)c4)n23)cc1Cl,ZOQNSUJULDDICO-UHFFFAOYSA-N,3,1,0.712,23,281,438.677,4.907,4,0.414,0.74,1.0,0.9855218970598314,0.9820608594338976,0.9584504146391611,0.9793365773421973,0.9763424371187719
EOS-3-25824,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nn2)n1C,STJICVIKFFCAFS-UHFFFAOYSA-N,3,1,0.321,98,507,465.456,2.948,6,0.386,0.64,0.117,0.20942704406826126,0.2990799122746899,0.09393633061476253,0.15796552669453773,0.19010220341306283
EOS-3-25825,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cnn2)nc1,AASZBMUVEWTDTN-UHFFFAOYSA-N,3,1,0.444,53,602,449.837,2.847,5,0.385,0.61,0.984,0.6827068055650743,0.7587125625385511,0.2954903707765061,0.38504043588513465,0.5304875436913166
EOS-3-25827,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)ccc1-c1ccccc1,OSIPFRVREGHKTA-UHFFFAOYSA-N,3,1,0.5,1,955,442.454,4.018,5,0.376,0.68,1.0,0.8463093687889796,0.8088547734905078,0.5767853471317935,0.5240816256596532,0.6890077787677336
EOS-3-25828,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(C(F)(F)F)cn5)n34)nc2)o1,JPIVAGQUYHRZMP-UHFFFAOYSA-N,3,1,0.305,50,243,424.346,3.626,5,0.432,0.64,1.0,0.3316770612021109,0.37198444246453294,0.830203550133644,0.7001233637173601,0.558497104379412
EOS-3-25829,CCc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5)n34)cn2)cn1,ZBVYCULOQSJNAD-UHFFFAOYSA-N,3,1,0.488,7,85,424.468,3.488,5,0.408,0.7,1.0,0.44803303406209305,0.3528630662737304,0.2517305188129669,0.15510417380577068,0.3019326982386402
EOS-3-25830,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)nn1,NYGNLVGWFMDBCW-UHFFFAOYSA-N,3,1,0.39,31,954,445.874,3.017,5,0.363,0.68,0.941,0.542603317113289,0.5085069563429512,0.1560294016859708,0.1822955931738743,0.3473588170790214
EOS-3-25831,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nc2)nc1,VUGILIFCIDDWQX-UHFFFAOYSA-N,3,1,0.312,86,977,420.396,2.755,6,0.419,0.68,1.0,0.20943561099307792,0.12679048728668357,0.13169933520663424,0.1379617572476184,0.15147179768350352
EOS-3-25832,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cc1F,ZNTYNUPVKJNRIY-UHFFFAOYSA-N,3,1,0.448,35,207,443.442,2.896,5,0.409,0.65,1.0,0.580254951682544,0.4413508327050922,0.652465560962237,0.6222243163593997,0.5740739154273182
EOS-3-25833,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccncc5-c5cccnn5)n34)nn2)c1F,TZZUGNGEPDSVDJ-UHFFFAOYSA-N,3,1,0.261,10,872,454.404,3.169,6,0.399,0.62,0.453,0.02646323075868686,0.14826776780206977,0.5433572064971558,0.6193972311698992,0.3343713590569529
EOS-3-25834,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)nc1,KFIQXIZMNXCKKZ-UHFFFAOYSA-N,3,1,0.329,30,298,450.893,4.754,6,0.385,0.76,0.892,0.014658008361318621,0.16762045096292236,0.5093293811253512,0.662728736892605,0.3385841443355493
EOS-3-25835,Fc1cccnc1-c1cccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)c1,VDEADCNQSCNGIL-UHFFFAOYSA-N,3,1,0.5,11,490,448.408,4.287,5,0.386,0.71,1.0,0.895680556507436,0.8700054828318826,0.8351980673017614,0.8460352271948461,0.8617298334589815
EOS-3-25836,Fc1cccnc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccn1,KNKAYFALYDNUDT-UHFFFAOYSA-N,3,1,0.483,24,199,451.824,4.154,5,0.396,0.67,1.0,0.8828301692824344,0.8167363443218423,0.8431824412308958,0.859759440751148,0.8506270988965802
EOS-3-25837,CCn1c(-c2cncs2)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,GLMRWIQILANBDG-UHFFFAOYSA-N,3,1,0.316,8,882,455.511,2.989,6,0.389,0.66,1.0,0.06502295935850867,0.07113974367760949,0.012918922623535056,0.017999109039819067,0.041770183674868074
EOS-3-25838,O=C(NC1CCOC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccn5)cn4)n23)cc1,CKUBALARHUJOFQ-UHFFFAOYSA-N,3,1,0.333,62,139,481.491,3.573,6,0.409,0.8,1.0,0.25301555753546706,0.11616750051401549,0.37727880200123365,0.4068603933931876,0.28833056336097596
EOS-3-25839,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(Cl)c(Cl)c1,NPCDVKLGWANWTE-UHFFFAOYSA-N,3,1,0.553,95,998,466.332,4.515,5,0.366,0.82,1.0,0.4817096155164142,0.490019532588582,0.682638270166541,0.7509766294291002,0.6013360119251593
EOS-3-25840,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccn5)nc4)n23)nc1,ZPOUTLQUYHNPIY-UHFFFAOYSA-N,3,1,0.366,33,432,409.413,2.065,5,0.478,0.83,1.0,0.15931053389075459,0.0412240422178055,0.10129531903228017,0.06326673977109176,0.091274158727983
EOS-3-25841,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)nn2C)nn1,NFJCTDSFWQMPBH-UHFFFAOYSA-N,3,1,0.442,53,569,431.435,2.446,5,0.403,0.65,1.0,0.3460437941196628,0.2784507573161538,0.1688540881365225,0.15258549790967035,0.23648353437050237
EOS-3-25842,Cn1nc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1C,DTEXWQFHZOARDS-UHFFFAOYSA-N,3,1,0.541,89,926,429.444,1.603,5,0.434,0.63,1.0,0.42042183537797273,0.2121341923103283,0.0667449112466589,0.0265060653827702,0.18145175107943254
EOS-3-25843,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5F)cn4)n23)n1,LGBCMQURHSIVKC-UHFFFAOYSA-N,3,1,0.307,76,387,468.431,3.384,6,0.387,0.66,0.99,0.13218764992118429,0.28357377835652114,0.3809111781235008,0.4943286957713659,0.32275032554314304
EOS-3-25844,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)cc(CO)n2)cn1,STOQCSCJKRXTFF-UHFFFAOYSA-N,3,1,0.292,82,974,467.493,2.033,6,0.387,0.69,1.0,0.05802378178329107,0.05196696593790693,0.07537180453704338,0.07779624426016037,0.06578969912960043
EOS-3-25845,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccnc5F)nn4)n23)nc1,KQBGNRPVDWQBFC-UHFFFAOYSA-N,3,1,0.248,39,114,455.392,2.564,6,0.369,0.65,0.941,0.0031611952573504217,0.084975327256528,0.20556336097594408,0.3021811390583236,0.14897025563703653
EOS-3-25846,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)cc1,GWYZRWSWVVHLCQ-UHFFFAOYSA-N,3,1,0.293,30,195,422.477,4.163,6,0.424,0.71,0.911,0.005063052566650675,0.06369508601192515,0.3772873689260503,0.40686896031800424,0.2132286169556576
EOS-3-25847,Cc1cc(-c2nnc3cncc(-c4ncnc(-c5ccccc5F)n4)n23)c(Cl)cc1F,RGGAEVQNRODTDY-UHFFFAOYSA-N,3,1,0.39,45,704,435.825,4.55,5,0.413,0.67,1.0,0.4112123912000548,0.5541943663902406,0.7995253923651566,0.8662274689877322,0.657789904735796
EOS-3-25849,O=C(O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cccnc5)n4)n23)c(F)n1,YTDYGBBMFDOMLW-UHFFFAOYSA-N,3,1,0.31,50,155,414.36,2.543,5,0.441,0.76,0.816,0.2933486395723391,0.2072339113151943,0.19152217120142553,0.1630285792611884,0.21378332533753686
EOS-3-25850,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc(C)n2)cn1,ASYRLYKQOIQTMF-UHFFFAOYSA-N,3,1,0.433,31,851,459.901,3.325,5,0.376,0.67,0.999,0.5504249194709068,0.5267459392776369,0.17205811801795629,0.1685371119183058,0.35444152217120145
EOS-3-25851,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ncc(F)cn1,GCXHCOULRPDLNY-UHFFFAOYSA-N,3,1,0.512,4,248,449.471,3.74,5,0.387,0.72,1.0,0.712888081694195,0.6356658213967514,0.26233637173600166,0.1765214858474402,0.44685294016859706
EOS-3-25852,CCn1cncc1-c1nnc2cncc(-c3ccc(C(=O)N4C(C)CCC4C)cn3)n12,BUBHAYZLLZWADR-UHFFFAOYSA-N,3,1,0.253,63,792,416.489,3.083,5,0.507,0.62,0.766,0.013133095743951752,0.004249194709067233,0.02409019258446988,0.02749982866150367,0.017243077924748135
EOS-3-25853,Cc1cccc(-c2ccc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)cn2)n1,YICJNMBPGAZDRP-UHFFFAOYSA-N,3,1,0.529,55,283,430.859,3.579,5,0.39,0.67,1.0,0.6550527722568706,0.6356743883215681,0.4029196079775204,0.35592145843328077,0.5123920567473099
EOS-3-25854,Cc1ncn(C)c1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(F)c1,OCEFCTGAQZVUAM-UHFFFAOYSA-N,3,1,0.433,51,196,450.865,3.662,5,0.403,0.66,1.0,0.6707730792954562,0.6356829552463847,0.4355681584538414,0.432458364745391,0.5436206394352683
EOS-3-25855,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,GRHMOYKOLUINQG-UHFFFAOYSA-N,3,1,0.444,87,838,448.849,3.452,5,0.389,0.63,1.0,0.7192190391337125,0.7545233363032006,0.47440202864779657,0.5541086971420739,0.625563275306696
EOS-3-25856,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)nn1,KCZHHHQYXGTACR-UHFFFAOYSA-N,3,1,0.297,98,63,422.412,2.699,6,0.421,0.64,1.0,0.14279350284421904,0.06733602905900898,0.12053663217051608,0.14990405044205332,0.12014255362894935
EOS-3-25857,Cn1ccnc1-c1nccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)n1,RNEXDHPWRMRWSR-UHFFFAOYSA-N,3,1,0.329,42,42,422.412,2.699,6,0.421,0.64,1.0,0.13989788225618532,0.06734459598382564,0.09168322938797889,0.09216297717771228,0.09777217120142553
EOS-3-25858,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1F,XMQDSVWFGNYSSO-UHFFFAOYSA-N,3,1,0.329,98,615,468.431,3.384,6,0.387,0.65,1.0,0.24491124665889932,0.3332876430676444,0.6110016448495648,0.6369165924199849,0.45652928174902335
EOS-3-25859,c1cnnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)c1,GWGUGIOYQKTNES-UHFFFAOYSA-N,3,1,0.418,81,117,450.422,2.667,6,0.369,0.63,1.0,0.5451990953327394,0.43281817558769103,0.14101158248235213,0.12505996847371667,0.3110222054691248
EOS-3-25860,COc1ncncc1COc1cncc2nnc(-c3ccnc(-c4cc(C)ncn4)c3)n12,GVNGIMAKENRXBH-UHFFFAOYSA-N,3,1,0.457,7,99,427.428,2.329,5,0.398,0.67,1.0,0.41122095812487147,0.14089164553491879,0.15603796861078748,0.07204783770817627,0.1950496024946885
EOS-3-25861,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cc4)n23)cc1,IEOGKFVCSUPWCU-UHFFFAOYSA-N,3,1,0.443,62,3,410.412,3.758,5,0.486,0.83,1.0,0.285021588650538,0.19336406003700912,0.7451082859296827,0.7054948255774107,0.4822471900486601
EOS-3-25862,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)nc1,OIBSDYRMHJNWMN-UHFFFAOYSA-N,3,1,0.277,70,392,449.453,3.85,6,0.377,0.7,1.0,0.11563635117538208,0.19790453018984305,0.5468096771982729,0.5209375642519362,0.3453220307038586
EOS-3-25863,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1-c1ccc(F)nc1,VCKIQBVSOSYCHD-UHFFFAOYSA-N,3,1,0.409,95,564,438.373,2.978,5,0.389,0.65,1.0,0.46187718456582827,0.3719930093893496,0.7246504694674799,0.7055033925022274,0.5660060139812213
EOS-3-25864,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(F)n5)ccc4Cl)n23)cc1,WNSGIZIJTVMBMX-UHFFFAOYSA-N,3,1,0.385,62,3,458.884,4.672,5,0.395,0.74,1.0,0.3088462065656912,0.3909087793845521,0.831831265848811,0.8165650058255088,0.5870378144061408
EOS-3-25865,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cnc(F)cn5)n34)c2)nc1,XBIVKVHATMEHMB-UHFFFAOYSA-N,3,1,0.429,7,949,419.355,2.29,5,0.423,0.66,1.0,0.5220084298540196,0.4768093345212802,0.317515934480159,0.30563360975944076,0.4054918271537249
EOS-3-25866,Cn1c(C#N)cnc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c1,DKDFEBZJVFTDRL-UHFFFAOYSA-N,3,1,0.675,43,11,443.417,3.921,5,0.409,0.68,1.0,0.8141405661023919,0.7040727160578438,0.8759337948050168,0.8495819340689467,0.8109322527585499
EOS-3-25867,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cn2)c1,VHJSMXRCYSEIGE-UHFFFAOYSA-N,3,1,0.461,55,89,435.369,3.64,5,0.389,0.68,1.0,0.905172709204304,0.8754968816393668,0.8746487560825166,0.8513895552052635,0.8766769755328627
EOS-3-25868,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COCc4ccnc(-c5cncnc5)n4)n23)cc1,PTRWSALFSARVJX-UHFFFAOYSA-N,3,1,0.406,52,916,479.504,2.647,6,0.356,0.79,1.0,0.2609656637653348,0.08824789253649509,0.07762490576382702,0.08298780069906106,0.1274565656911795
EOS-3-25869,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)cc(C#N)c5)cnn4)n23)cn1,FANGQSKVQJTWFE-UHFFFAOYSA-N,3,1,0.478,4,534,438.426,3.542,5,0.409,0.63,1.0,0.5832019738194778,0.7716400520869029,0.7523130697005003,0.7084846823384278,0.7039099444863273
EOS-3-25870,Cc1noc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)ccn2)n1,YBHNIMNPHPACPY-UHFFFAOYSA-N,3,1,0.731,75,583,417.404,3.305,5,0.414,0.8,1.0,0.6315022959358508,0.5129617572476184,0.32472071825097665,0.32095983825645946,0.4475361524227264
EOS-3-25871,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(C)nc4C)n23)c1,WPEUSQBMKHGVNT-UHFFFAOYSA-N,3,1,0.511,26,448,425.496,4.266,5,0.404,0.76,1.0,0.3292783222534439,0.1370793639915016,0.3957062572818861,0.2513364402714002,0.27835009594955795
EOS-3-25872,COc1ncc(-c2ncco2)cc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,RUQOFBMXZWOSON-UHFFFAOYSA-N,3,1,0.301,86,790,449.434,3.369,6,0.386,0.66,1.0,0.30885477349050783,0.12679905421150023,0.24099616201768212,0.17118429168665616,0.21195857035158658
EOS-3-25873,Fc1ccc(-c2ccccn2)cc1-c1nnc2cncc(OCc3cc(Cl)ccn3)n12,VAJFHKVGFGCPTE-UHFFFAOYSA-N,3,1,0.571,97,850,432.846,4.62,5,0.403,0.74,1.0,0.6916592419984923,0.7842934000411212,0.8318398327736276,0.8614728257144816,0.7923163251319307
EOS-3-25874,Fc1cc(-c2nnc3cncc(OCc4ncncc4-c4ccccc4)n23)ccc1Cl,MIQQXGGDBIFOMR-UHFFFAOYSA-N,3,1,0.573,57,700,432.846,4.62,5,0.403,0.74,1.0,0.92521074635049,0.9591357686244946,0.8497961071893633,0.8780926598588171,0.9030588205057912
EOS-3-25875,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4)n23)cn1,MJSMDMFUEXTXEC-UHFFFAOYSA-N,3,1,0.312,42,369,420.436,3.909,6,0.426,0.7,1.0,0.1901257624563087,0.07460934822835995,0.38826159961620177,0.37234425330683296,0.25633524090192583
EOS-3-25876,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)nc4)n23)cc1,TTZKGGFILYWFML-UHFFFAOYSA-N,3,1,0.337,74,333,411.429,2.008,5,0.481,0.76,1.0,0.08558357891851141,0.0519755328627236,0.16886265506133918,0.10228051538619697,0.10217557055719279
EOS-3-25877,Cc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)n1,LAXVBHKEICZJDF-UHFFFAOYSA-N,3,1,0.489,75,420,429.419,2.502,5,0.401,0.63,1.0,0.8247121513261599,0.6306370365293674,0.13478342814063463,0.1135288876704818,0.42591537591666095
EOS-3-25878,c1ccc(-c2ccncc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cc1,LBYNOUYANNRLES-UHFFFAOYSA-N,3,1,0.303,30,158,417.436,3.496,6,0.433,0.73,1.0,0.012293537111918306,0.031577684874237545,0.18502844219039133,0.3056421766842574,0.13363546021520115
EOS-3-25879,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)nc2)cc1,XIXIVSPQBDLPQV-UHFFFAOYSA-N,3,1,0.276,30,158,417.436,3.496,6,0.433,0.73,0.997,0.01067438832156809,0.02873346583510383,0.16554725515728874,0.27821945034610374,0.1207936399150161
EOS-3-25880,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)ccn2)nc1,BDOSROMRHKQJMB-UHFFFAOYSA-N,3,1,0.557,73,665,451.824,4.154,5,0.396,0.65,1.0,0.8790949900623672,0.842197244876979,0.8073898293468577,0.8363032006031115,0.8412463162223288
EOS-3-25881,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)cc1,RLKVKDDUGPXTRP-UHFFFAOYSA-N,3,1,0.338,38,42,421.424,3.304,6,0.426,0.66,1.0,0.2504883147145501,0.10726646562949764,0.2623449386608183,0.2425810431087657,0.21567019052840794
EOS-3-25882,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)c(F)c1,FCOSGEDCDKXSDN-UHFFFAOYSA-N,3,1,0.316,64,144,465.427,4.046,6,0.384,0.67,0.997,0.30886334041532454,0.4099787540264547,0.4207216777465561,0.5409756013981222,0.4201348433966144
EOS-3-25883,COc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cn2)ccn1,CXHXJBZCKIXKIZ-UHFFFAOYSA-N,3,1,0.31,50,261,416.832,3.367,5,0.439,0.7,1.0,0.4204304023027894,0.5311065040093208,0.3507898704680968,0.34007264752244537,0.41059985607566307
EOS-3-25884,CCn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,YQOVEZACAOSXSK-UHFFFAOYSA-N,3,1,0.292,8,754,470.888,2.965,6,0.376,0.7,0.994,0.15396477280515386,0.26310739496950175,0.042843191008155715,0.09217154410252895,0.13802172572133506
EOS-3-25885,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)n5)ncn4)n23)cc1,NALJNSMNORISEU-UHFFFAOYSA-N,3,1,0.541,34,675,450.289,4.529,5,0.364,0.74,1.0,0.8574977725995476,0.9434154615859092,0.6963367829483929,0.7809094647385375,0.8195398704680967
EOS-3-25886,FC(F)c1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)nn5)n34)n2)nn1,FDSKJCCKZVONDO-UHFFFAOYSA-N,3,1,0.409,53,52,468.815,2.998,5,0.366,0.66,0.948,0.5665136042766089,0.7133849633335618,0.3247292851757933,0.340081214447262,0.4861772668083065
EOS-3-25887,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5F)cc(F)n4)n23)cn1,XTZZZURUVUERLT-UHFFFAOYSA-N,3,1,0.451,11,384,449.396,3.682,5,0.365,0.69,1.0,0.8553132067712974,0.7674079912274689,0.7971780549653896,0.7809180316633542,0.8002043211568775
EOS-3-25888,Fc1ccc(OCc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)nc1,HSQIKXHHPQDALV-UHFFFAOYSA-N,3,1,0.402,14,189,432.846,4.62,5,0.403,0.7,1.0,0.5665221712014256,0.6696765129189226,0.8172931944349257,0.8323367144129943,0.7214571482420671
EOS-3-25889,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)nc1,RUKOQPJAMUBCQN-UHFFFAOYSA-N,3,1,0.25,39,527,438.39,1.82,6,0.4,0.6,0.939,0.00867829483928449,0.08825645946131176,0.018487423754369132,0.040024672743472,0.03886171269960935
EOS-3-25890,COc1cc(-c2nnc3cncc(OCc4ccnc(C)n4)n23)ccc1-c1nccn1C,VIONFNPPFSEIBE-UHFFFAOYSA-N,3,1,0.511,16,248,428.456,2.878,5,0.407,0.64,1.0,0.35265746007813037,0.14090021245973544,0.21584367075594543,0.09409053526146255,0.20087296963881845
EOS-3-25891,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)nn5)nc4)n23)cn1,BDFYWJOAPSTDNA-UHFFFAOYSA-N,3,1,0.281,99,286,452.417,2.035,6,0.39,0.59,0.992,0.19835857720512645,0.1979130971146597,0.08463265026386128,0.10648687547118087,0.1468478000137071
EOS-3-25892,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,BISOFWXTODVEBM-UHFFFAOYSA-N,3,1,0.511,97,55,445.87,3.368,5,0.396,0.66,1.0,0.5950671646905626,0.5542029333150572,0.6200825851552326,0.5859519566856282,0.5888261599616201
EOS-3-25893,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)s2)nc1,LCTAMAFXERUDQR-UHFFFAOYSA-N,3,1,0.325,38,126,441.451,4.771,6,0.389,0.74,1.0,0.3389161126721952,0.4459684051812761,0.49505688438078266,0.5240901925844699,0.45100789870468094
EOS-3-25894,Cc1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)o1,CGINVGQNNJBTSK-UHFFFAOYSA-N,3,1,0.484,27,483,453.384,4.2,5,0.377,0.74,1.0,0.7755722705777535,0.7843019669659379,0.8173017613597423,0.7193475430059626,0.774130885477349
EOS-3-25895,COc1nccc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)n1,ZQGCPYJXRXKYFG-UHFFFAOYSA-N,3,1,0.473,73,975,453.825,2.542,5,0.382,0.67,1.0,0.3940528407922692,0.5885734356795285,0.23724384894798164,0.2483208827359331,0.3670477520389281
EOS-3-25896,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)n2)nn1,STWJDWRUTHTMOK-UHFFFAOYSA-N,3,1,0.323,39,176,462.452,3.61,6,0.387,0.64,0.98,0.27666027002947025,0.3241724350627099,0.17206668494277294,0.2545147693783839,0.25685353985333426
EOS-3-25897,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-n5ccnn5)c(F)c4)n23)c1F,XSAHXYFWJDNNPG-UHFFFAOYSA-N,3,1,0.505,37,619,434.41,2.975,5,0.405,0.63,1.0,0.4817181824412309,0.3909173463093688,0.5859862243848948,0.5409841683229388,0.4999014803646083
EOS-3-25898,Cc1ccccc1-c1ncc(-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)c(C)n1,NMOKAFIFECNPEQ-UHFFFAOYSA-N,3,1,0.289,94,566,458.489,3.779,6,0.388,0.66,0.973,0.08559214584332808,0.05581351518059077,0.21949318072784593,0.2013998355150435,0.14057466931670207
EOS-3-25899,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c(F)c1,XOTJAIDDYQZADP-UHFFFAOYSA-N,3,1,0.516,37,589,433.422,3.487,5,0.408,0.64,1.0,0.734348228359948,0.6647590980741553,0.6800253580974573,0.6512833253375369,0.6826040024672744
EOS-3-25900,Cc1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)nc5)n34)cc2)n1,KIYBRJOFAYNGCV-UHFFFAOYSA-N,3,1,0.314,38,339,461.464,4.215,6,0.384,0.7,1.0,0.32928688917826054,0.40530121307655403,0.48853745459529846,0.49433726269618256,0.42936570488657394
EOS-3-25901,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)cn1,DSWQCAUIZQVNCC-UHFFFAOYSA-N,3,1,0.462,51,969,450.384,3.694,5,0.361,0.71,1.0,0.7372095812487149,0.8642570762798986,0.7906329244054554,0.705511959427044,0.7744028853402782
EOS-3-25902,COc1ncc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cnc(CO)nc1,BTBOZLITCBJKKJ-UHFFFAOYSA-N,3,1,0.518,65,657,456.466,2.161,5,0.37,0.67,1.0,0.44804160098690976,0.2682389829346858,0.23024467137276403,0.12506853539853335,0.26789844767322324
EOS-3-25903,Cn1ncnc1-c1cc(F)c(-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)cn1,YWXZEVHABHWGIT-UHFFFAOYSA-N,3,1,0.333,70,968,440.402,2.838,6,0.407,0.58,0.939,0.2094441779178946,0.25770166541018436,0.2090415324515112,0.23377424439723116,0.22749040504420534
EOS-3-25904,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)ccc1F,GKIUPPVGSPQLFK-UHFFFAOYSA-N,3,1,0.571,24,912,424.399,3.233,5,0.422,0.69,1.0,0.7071054074429443,0.7087416900829279,0.5828421629771777,0.5275255294359537,0.6315536974847509
EOS-3-25905,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cc4)n23)cc1,VYNUHJWVHLOKNR-UHFFFAOYSA-N,3,1,0.297,9,98,420.44,3.039,6,0.466,0.62,1.0,0.08799088479199507,0.07794188198204373,0.3846377904187513,0.39164553491878557,0.2355540230278939
EOS-3-25906,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6csnn6)n5)n34)cc2)nc1,IYPMCEJOCFECIT-UHFFFAOYSA-N,3,1,0.329,38,865,435.476,3.829,6,0.411,0.67,1.0,0.04363134809128915,0.10383969570283051,0.2302532382975807,0.2634672058118018,0.16029787197587553
EOS-3-25907,Cc1nnc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(C)(C)C)nc5)n34)cc2)o1,DIXAFKXQSJSQJB-UHFFFAOYSA-N,3,1,0.36,85,60,426.484,3.828,5,0.427,0.69,1.0,0.24779830032211636,0.14448975395791927,0.08691145226509492,0.022196902199986292,0.1253491021862792
EOS-3-25908,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncco5)n4)n23)cn1,OCVFDAJBMHMBQL-UHFFFAOYSA-N,3,1,0.305,76,368,421.424,3.304,6,0.426,0.65,0.97,0.167526214789939,0.06370365293674182,0.15004112123912,0.14026626002330203,0.1303843122472757
EOS-3-25909,Fc1cc(-c2cncc(-c3nnc4cncc(COc5ccc(Cl)nn5)n34)c2)ccn1,IWJZFJCOQHEEDH-UHFFFAOYSA-N,3,1,0.33,2,767,434.822,3.41,5,0.387,0.66,1.0,0.4866184634363649,0.5449335206634227,0.6051847028990474,0.627835652114317,0.566143084778288
EOS-3-25910,Fc1ncccc1-c1cnnc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,VMHDOQNBRAUIMH-UHFFFAOYSA-N,3,1,0.489,46,207,434.822,3.41,5,0.387,0.66,1.0,0.5298471660612707,0.602331916935097,0.5954012747584128,0.6483534370502364,0.5939834487012543
EOS-3-25911,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)cn2)n1,ISLSLEWURYRVAR-UHFFFAOYSA-N,3,1,0.311,86,664,452.869,3.544,6,0.373,0.68,0.969,0.015463299294085395,0.13336988554588444,0.29549893770132274,0.35932252758549793,0.20091366253169762
EOS-3-25912,N#Cc1nc(Cl)cc(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)n1,STWOFGXQPRSBPV-UHFFFAOYSA-N,3,1,0.5,4,506,446.883,3.809,5,0.374,0.74,1.0,0.57466074977726,0.640112055376602,0.37729593585086696,0.3945411555068193,0.49665247412788704
EOS-3-25913,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)ccn1,NXCVKHPVMBWMTH-UHFFFAOYSA-N,3,1,0.408,18,194,444.886,3.622,5,0.391,0.64,0.972,0.6947176341580427,0.5885820026043451,0.42463676238777326,0.419693646768556,0.5319075114796793
EOS-3-25914,Cn1nc(-c2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,CGVNUOLEYPFVIM-UHFFFAOYSA-N,3,1,0.392,98,882,468.912,3.703,6,0.388,0.69,1.0,0.1453293125899527,0.3381879240627784,0.23026180522239736,0.3239496950174765,0.2594321842231513
EOS-3-25915,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cccs5)n34)c2)c(C)n1,SFBNBIKICIEOBG-UHFFFAOYSA-N,3,1,0.558,87,349,429.509,3.943,5,0.404,0.72,1.0,0.5719793023096429,0.42386573915427317,0.22292851757932972,0.16073264341032142,0.3448765506133918
EOS-3-25916,Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccnn5C)c4)n23)nn1,HKECIPUSPBPOKM-UHFFFAOYSA-N,3,1,0.5,36,534,416.42,3.008,5,0.435,0.73,1.0,0.4618857514906449,0.5221369337262696,0.42464532931258997,0.3559300253580975,0.4411495099719005
EOS-3-25917,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ccnc(F)c4)cc3F)n12,YWYPRFUZLXSTNV-UHFFFAOYSA-N,3,1,0.547,37,626,447.449,3.795,5,0.368,0.72,1.0,0.4743420601740799,0.5729816325131931,0.6230296072921664,0.5980313206771297,0.5670961551641422
EOS-3-25918,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)n1,VTNLMUJUAIZSDR-UHFFFAOYSA-N,3,1,0.284,76,387,451.429,2.64,6,0.372,0.63,0.997,0.10270886162703036,0.1979216640394764,0.15604653553560413,0.21903913371256253,0.16892904872866835
EOS-3-25919,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)cs1,ZYYAHPFFNNQRRS-UHFFFAOYSA-N,3,1,0.528,58,304,449.927,4.288,5,0.382,0.74,0.998,0.682715372489891,0.8167449112466589,0.3027294222465904,0.3272822287711603,0.5323679836885751
EOS-3-25920,Fc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1F,HPCDZJUIJMFRAO-UHFFFAOYSA-N,3,1,0.351,93,991,451.44,4.984,6,0.378,0.79,1.0,0.12362929202933315,0.3769703927078336,0.8188438078267425,0.8726954972243164,0.5480347474470564
EOS-3-25922,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccnc5F)n4)n23)c1,HXQJUOSDZGNBJY-UHFFFAOYSA-N,3,1,0.245,39,527,451.429,2.734,6,0.372,0.65,0.941,0.008686861764101158,0.0943132753066959,0.0689551778493592,0.12507710232335,0.07425810431087657
EOS-3-25923,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)n1,UWDSDSIJIBVBGR-UHFFFAOYSA-N,3,1,0.523,43,630,449.396,3.948,5,0.375,0.7,1.0,0.8416746624631622,0.8244894112809266,0.853000137070797,0.8203944212185594,0.8348896580083613
EOS-3-25924,Cc1cc(OCc2cncc3nnc(-c4cccc(-c5cnn(C)c(=O)c5)c4)n23)ccc1Cl,ITTLSOFQKQLHKI-UHFFFAOYSA-N,3,1,0.408,14,18,458.909,4.093,5,0.394,0.73,1.0,0.42747241450209034,0.4679597011856624,0.7065314234802276,0.6917106435473922,0.5734185456788431
EOS-3-25925,Cn1nc(C(F)F)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3OCCO)n12,KEIIDTHBUVSLQL-UHFFFAOYSA-N,3,1,0.317,63,792,470.44,1.788,5,0.398,0.76,0.289,0.17019909533273936,0.14090877938455212,0.05692721540675759,0.05870913576862449,0.1066860564731684
EOS-3-25926,COc1ncccc1-c1cc(-c2nnc3cncc(OCCc4cnccn4)n23)nn1C,YVZPSELHEQBFSS-UHFFFAOYSA-N,3,1,0.427,31,658,429.444,2.007,5,0.383,0.69,0.999,0.170207662257556,0.02631759303680351,0.053226303885957095,0.02651463230758687,0.06906654787197587
EOS-3-25927,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)nn1,WVYDJOXQXFSSRO-UHFFFAOYSA-N,3,1,0.325,30,945,436.414,3.03,6,0.414,0.59,0.738,0.018084778287985746,0.12996881639366734,0.21585223768076212,0.30565074360907407,0.1673891439928723
EOS-3-25928,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccc5Cl)cn4)n23)cc1,DRYZAFCHNWQDSZ-UHFFFAOYSA-N,3,1,0.578,1,850,428.883,4.789,5,0.4,0.78,1.0,0.7254043588513467,0.8205486258652595,0.7141388527174286,0.7193561099307793,0.7448619868412036
EOS-3-25929,Cc1cc(Cl)c(-c2cc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)n(C)n2)nn1,LUKHCYKZHSXXFD-UHFFFAOYSA-N,3,1,0.299,50,844,438.282,3.659,5,0.424,0.67,1.0,0.07297306558837639,0.24793537111918307,0.23027037214721405,0.39454972243163594,0.23643213282160236
EOS-3-25930,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5c(F)ccc(F)c5F)n34)c2)cn1,XTSBYFYAKUCATB-UHFFFAOYSA-N,3,1,0.576,88,70,450.424,4.231,5,0.362,0.76,1.0,0.667449112466589,0.7319409224864643,0.9228034404770064,0.9001610581865533,0.8055886334041533
EOS-3-25931,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)nn1,GKELWFGFHWLNFA-UHFFFAOYSA-N,3,1,0.452,2,875,432.394,3.204,5,0.39,0.66,1.0,0.6614865327941882,0.5729901994380098,0.6469313275306696,0.5735213487766432,0.6137323521348776
EOS-3-25932,Cc1cnnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)nc2)n1,OFXGEYOZFMNIRN-UHFFFAOYSA-N,3,1,0.312,85,580,445.437,3.465,5,0.391,0.63,0.977,0.31912651634569256,0.3434051812761291,0.38091974504831744,0.3593310945103146,0.3506956342951134
EOS-3-25933,Cn1c(-c2ccccc2)ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1=O,QPNBJXJFNLSAIQ-UHFFFAOYSA-N,3,1,0.472,1,347,444.882,3.784,5,0.383,0.69,1.0,0.4024998286615037,0.35790041806593104,0.47109519566856284,0.5475464327325064,0.44476046878212594
EOS-3-25934,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5F)ccn4)n23)cc1F,LJLMQKDXZDOKTR-UHFFFAOYSA-N,3,1,0.573,59,153,434.381,4.245,5,0.385,0.73,1.0,0.9037591666095538,0.8128555273798918,0.9356966623260914,0.9287146186005072,0.8952564937290111
EOS-3-25935,Fc1ccc(F)c(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccn4)n23)c1,ZEOJNQKENGARPK-UHFFFAOYSA-N,3,1,0.554,59,71,434.381,4.245,5,0.385,0.73,1.0,0.6614950997190049,0.8282331574258104,0.9296741141799739,0.9245339592899733,0.8359840826536906
EOS-3-25936,COc1nc(-c2ccc(C)cc2)ccc1-c1nnc2cncc(OCc3cnncc3C)n12,XXZAEFMVXBXIQI-UHFFFAOYSA-N,3,1,0.477,89,250,439.479,3.848,5,0.393,0.68,1.0,0.4691333698855459,0.18896922760605853,0.38464635734356795,0.24258961003358234,0.32133464121718863
EOS-3-25937,Cc1nnc(-c2ccc(COCc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)o1,DZGQYGZFLZGPFY-UHFFFAOYSA-N,3,1,0.484,14,740,449.421,4.199,5,0.364,0.73,1.0,0.44110239188540884,0.3816479336577342,0.6880697005003084,0.6072921664039477,0.5295280481118497
EOS-3-25938,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncn5C)n34)cc(C)n2)nn1,JRZAVTAWJZVNNE-UHFFFAOYSA-N,3,1,0.438,31,241,427.472,2.615,5,0.407,0.7,0.994,0.31154478788294154,0.14827633472688645,0.09618086491672949,0.05436570488657391,0.15259192310328284
EOS-3-25939,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,ALVFCPDWTABQNL-UHFFFAOYSA-N,3,1,0.301,30,737,446.449,4.511,6,0.393,0.69,1.0,0.2636299773833185,0.30912034815982453,0.7298163251319306,0.7759749160441368,0.5196353916798025
EOS-3-25940,Fc1cccc(-c2ccncc2-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)c1,PFQYUQHMOSBRIH-UHFFFAOYSA-N,3,1,0.345,32,557,446.449,4.511,6,0.393,0.69,1.0,0.22297135220341308,0.37697895963265027,0.5734956480021931,0.6338239325611679,0.4518174730998561
EOS-3-25941,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1ncc(F)cn1,FMLYMZDMSCKBBM-UHFFFAOYSA-N,3,1,0.406,46,896,462.42,3.213,5,0.375,0.68,0.999,0.6064954423959975,0.5311150709341375,0.32473785210060996,0.23378281132204784,0.42403279418819817
EOS-3-25942,Fc1cnc(-c2nc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2F)nc1,VRALTWVAHAEWDH-UHFFFAOYSA-N,3,1,0.391,65,116,433.382,2.333,5,0.398,0.6,1.0,0.679802618052224,0.5978342814063464,0.16887122198615584,0.21358200260434515,0.4150225310122679
EOS-3-25943,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nnc(C)s5)c(F)c4)n23)n1,MIAGRTBBLYHNAA-UHFFFAOYSA-N,3,1,0.516,72,639,463.498,3.782,5,0.359,0.73,1.0,0.7038242752381605,0.6451494071688026,0.2302789390720307,0.17119285861147282,0.4376113700226167
EOS-3-25944,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(Cc5cncc(F)c5)n34)c2)cn1,FOZZRKCUHGDTKO-UHFFFAOYSA-N,3,1,0.333,85,81,415.407,3.821,5,0.444,0.75,1.0,0.3505414296484134,0.367366869988349,0.7866321705160716,0.7759834829689535,0.5701309882804468
EOS-3-25945,Cn1ncnc1-c1cc(F)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,SPKXTMIGCMWWKQ-UHFFFAOYSA-N,3,1,0.488,51,196,437.826,2.748,5,0.413,0.59,1.0,0.4991690082927832,0.4768179014460969,0.29187512850387226,0.34641217188677953,0.403568552532383
EOS-3-25946,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5F)cn4)n23)cc1,LMTHZMHGUVZWIZ-UHFFFAOYSA-N,3,1,0.608,57,210,416.391,4.106,5,0.429,0.8,1.0,0.9527362757864437,0.9490524981152766,0.8188523747515591,0.8440905352614625,0.8911829209786855
EOS-3-25947,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)c(C)n4)n23)n1,HQKZIHNORIBVDV-UHFFFAOYSA-N,3,1,0.43,31,690,429.509,3.943,5,0.404,0.7,0.999,0.4089849907477212,0.29908847919950654,0.15305667877458706,0.1180779247481324,0.2448020183674868
EOS-3-25948,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cc4Cl)n23)cc1Cl,WLVXAJHKNRNPSU-UHFFFAOYSA-N,3,1,0.326,96,648,464.316,4.515,5,0.408,0.73,1.0,0.3088719073401412,0.3434137482009458,0.7845332739359879,0.8184154615859092,0.5638085977657461
EOS-3-25949,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5cc(CO)ccn5)c4)n23)c1F,VWUYFELLYVPQEC-UHFFFAOYSA-N,3,1,0.473,24,912,443.442,3.162,5,0.426,0.63,1.0,0.7192276060585292,0.5683212254129257,0.6524741278870536,0.5275340963607703,0.6168892639298197
EOS-3-25950,Clc1cccc(-c2ccnc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)n1,NLGAMWJLYJDOAK-UHFFFAOYSA-N,3,1,0.347,44,692,436.262,4.742,5,0.376,0.79,1.0,0.5504334863957234,0.5729987663628264,0.6438900692207525,0.7298762936056473,0.6242996538962374
EOS-3-25951,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)c(C(F)F)c5)n4)n23)cc1C,GXFZGOBQDGBRDH-UHFFFAOYSA-N,3,1,0.322,74,331,478.438,3.784,5,0.412,0.73,0.998,0.09290829963676239,0.257710232335001,0.754566170927284,0.6483620039750532,0.43838667671852516
EOS-3-25952,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4F)n23)cc1,LMCAZTURQZBZHP-UHFFFAOYSA-N,3,1,0.575,43,258,416.42,3.008,5,0.435,0.73,1.0,0.7812949763552876,0.6258052909327668,0.4464995545199095,0.4197022136933726,0.5683255088753342
EOS-3-25953,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C#N)c(F)c4F)n23)cc1F,QSTVQWQQVLSJQS-UHFFFAOYSA-N,3,1,0.38,61,129,408.343,3.107,4,0.562,0.81,1.0,0.4480501679117264,0.45918717017339455,0.9463196490987595,0.9235316290864232,0.6942721540675759
EOS-3-25954,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)nc5)n34)cc2)n1C,KKPZBTAOJSMPKI-UHFFFAOYSA-N,3,1,0.295,98,725,446.478,3.414,6,0.405,0.61,1.0,0.13469775889246796,0.044847851415255977,0.30991707216777464,0.2634757727366185,0.18823461380302925
EOS-3-25955,CC(c1ccccc1)c1cccc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,ULFYBDOXKFIUQP-UHFFFAOYSA-N,3,1,0.603,79,824,449.514,4.621,5,0.391,0.74,1.0,0.7924662463162223,0.35790898499074775,0.8498046741141799,0.7432064286203824,0.6858465835103831
EOS-3-25956,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cnn2)no1,SHITUXKSTQUXDQ-UHFFFAOYSA-N,3,1,0.473,92,69,437.37,2.851,5,0.391,0.68,0.964,0.5862260982797615,0.5449420875882394,0.3211568775272428,0.24832944966074977,0.42516362826399834
EOS-3-25957,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ncn1,XKOVHERANKMIKM-UHFFFAOYSA-N,3,1,0.528,44,130,447.861,4.057,5,0.362,0.73,1.0,0.8371427592351449,0.7799756699335206,0.6773439106298403,0.7327462134192311,0.7568021383044343
EOS-3-25958,Cc1cccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cn5)n34)nn2)n1,VZZHKTRAJRVAQN-UHFFFAOYSA-N,3,1,0.268,39,114,451.429,2.734,6,0.398,0.62,0.662,0.003169762182167089,0.0779504489068604,0.10130388595709684,0.14504660407100267,0.08186767527928175
EOS-3-25959,Fc1cc(-c2nnc3cncc(OCc4cncc(-n5ccnc5)n4)n23)ccc1Cl,OUKPEYCEINQTQM-UHFFFAOYSA-N,3,1,0.523,73,401,422.811,3.139,5,0.429,0.66,1.0,0.5322287711603043,0.722637242135563,0.6286495099719005,0.6596446439586047,0.6357900418065932
EOS-3-25960,Cn1ncnc1-c1cnnc(-c2nnc3cncc(OCc4ccc(F)nc4Cl)n23)c1,JYCVBMGGEGSIDP-UHFFFAOYSA-N,3,1,0.387,53,105,438.814,2.143,5,0.38,0.62,0.959,0.4363991501610582,0.4238743060790898,0.21586080460557877,0.27212836680145297,0.3370656569117949
EOS-3-25961,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)cc1,WQKBNFMCWNXLRD-UHFFFAOYSA-N,3,1,0.577,73,212,418.367,2.896,5,0.429,0.67,1.0,0.8247207182509766,0.8725926941265163,0.5468182441230895,0.5541172640668905,0.6995622301418682
EOS-3-25962,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)c2)cc1,LWMAOFGLKDNEHZ-UHFFFAOYSA-N,3,1,0.278,30,541,417.436,3.496,6,0.433,0.7,0.869,0.03931361798368858,0.04123260914262217,0.3546878212596806,0.38845007196216846,0.20592103008703994
EOS-3-25963,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)c(C)n1,SKRZWYQZNLIEDH-UHFFFAOYSA-N,3,1,0.512,97,92,432.484,4.645,5,0.402,0.76,1.0,0.8273336303200604,0.7545319032280172,0.5631982043725584,0.46387327804811185,0.652234253992187
EOS-3-25964,COc1cc(-c2nnc3cncc(OCc4cncc(-c5ncon5)c4)n23)ccc1Cl,FHFVVNQSAMZQBX-UHFFFAOYSA-N,3,1,0.518,16,67,435.831,3.477,5,0.395,0.68,1.0,0.7980775820711398,0.7319494894112809,0.5632067712973751,0.48825474607634844,0.6453721472140361
EOS-3-25965,O=C(NCCO)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CC(F)C5)s4)n23)cc1,HGQVUPMJZFWLFT-UHFFFAOYSA-N,3,1,0.398,0,334,480.525,1.96,5,0.418,0.78,1.0,0.1428020697690357,0.11036769241313138,0.02841648961688712,0.032228771160304294,0.07845375573983963
EOS-3-25966,Cn1ncnc1-c1nccnc1COc1cncc2nnc(-c3ccc(C(F)F)cn3)n12,VNOBMUQMTOOLPN-UHFFFAOYSA-N,3,1,0.419,7,828,436.386,2.288,5,0.394,0.62,0.769,0.36423994243026525,0.26824754985950244,0.17853471317935715,0.18230416009869096,0.24833159139195393
EOS-3-25967,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cc1,PLGUYGZVWZCXRV-UHFFFAOYSA-N,3,1,0.359,9,867,420.436,3.909,6,0.426,0.71,1.0,0.25049688163936673,0.10055856349804675,0.4355767253786581,0.4036306627373038,0.29756570831334384
EOS-3-25968,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)n1C,JZPYVVHDCSPXSN-UHFFFAOYSA-N,3,1,0.494,36,292,421.852,3.074,5,0.439,0.73,0.998,0.5298557329860873,0.6842574189568912,0.07096840518127613,0.1110273456240148,0.34902722568706734
EOS-3-25969,Cn1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)cn1,UGYAFYOWRYQTMU-UHFFFAOYSA-N,3,1,0.573,65,847,416.42,2.742,5,0.42,0.73,1.0,0.6646305942019053,0.6073178671783976,0.44999485984511,0.4133798231786718,0.5338307861010212
EOS-3-25970,Fc1cc(Cl)nnc1CCOc1cncc2nnc(-c3cccc(-c4nncs4)c3)n12,VDOSMTIYKFWNKQ-UHFFFAOYSA-N,3,1,0.478,72,482,454.878,3.514,5,0.384,0.66,1.0,0.7434548694400658,0.8422058118017957,0.26235350558563497,0.3627835652114317,0.552699438009732
EOS-3-25971,Fc1cnc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cn1,YYTWKSZZCOJHFJ-UHFFFAOYSA-N,3,1,0.397,93,651,446.449,4.511,6,0.393,0.7,1.0,0.33661160989651157,0.42388287300390654,0.5536032485778904,0.619405798094716,0.48337588239325613
EOS-3-25972,COc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cc2)n1C,KQKQJRRFCBSHTF-UHFFFAOYSA-N,3,1,0.333,98,866,466.469,1.848,6,0.37,0.68,1.0,0.27164861901171955,0.13337845247070113,0.02115173737235282,0.015009252278802001,0.11029701528339388
EOS-3-25973,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)c5)cn4)n23)cn1,FUHICDSGWZNNPK-UHFFFAOYSA-N,3,1,0.494,97,969,413.416,3.67,5,0.434,0.83,1.0,0.7071139743677609,0.7799842368583373,0.5536118155027071,0.527542663285587,0.642063172503598
EOS-3-25974,Cc1ccn(-c2ccc(Cc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)n1,ZKISGAJOSBQULE-UHFFFAOYSA-N,3,1,0.319,14,425,434.467,3.056,6,0.443,0.6,1.0,0.04363991501610582,0.037505996847371666,0.23390274826948118,0.19574566513604277,0.12769858131725037
EOS-3-25975,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,NYZGDXHIMDXILT-UHFFFAOYSA-N,3,1,0.517,11,0,447.861,4.057,5,0.362,0.75,1.0,0.897385374545953,0.92521074635049,0.5987766431361798,0.6338324994859845,0.7638013158796518
EOS-3-25976,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)s1,YZRBTXQGISIZCR-UHFFFAOYSA-N,3,1,0.441,6,502,470.522,3.023,6,0.365,0.77,1.0,0.3266911109588102,0.22766602700294702,0.0709769721060928,0.06492872318552532,0.17256570831334384
EOS-3-25977,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ccccn5)n4)n23)ccn1,VMGQTYILRDTOGL-UHFFFAOYSA-N,3,1,0.522,11,796,427.443,3.712,5,0.408,0.66,0.999,0.7813035432801042,0.6553611815502707,0.3957148242067028,0.35593859228291413,0.547079535329998
EOS-3-25978,Fc1ccc(-c2ccco2)cc1-c1nnc2cncc(-c3cccc(-c4cnccn4)n3)n12,OEEVYJBISRRXPW-UHFFFAOYSA-N,3,1,0.351,32,368,435.422,4.709,6,0.396,0.75,1.0,0.2933572064971558,0.3579175519155644,0.6718096771982729,0.6946405318346927,0.5044312418614214
EOS-3-25979,CCNC(=O)c1ccc(-c2nnc3cncc(CNC(=O)c4cnc(-c5ccccc5)s4)n23)cc1,QJOSYODGROPJCF-UHFFFAOYSA-N,3,1,0.495,62,319,483.557,3.595,5,0.366,0.86,1.0,0.20654855732986088,0.13338701939551778,0.08944726201082859,0.04506202453567267,0.11861121581796998
EOS-3-25980,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cncc(F)c5)s4)n23)nc1,PFTGWIUVVHBCMQ-UHFFFAOYSA-N,3,1,0.364,85,647,449.446,3.278,5,0.441,0.56,0.999,0.17855184702899046,0.19793023096429305,0.4538242752381605,0.457705092180111,0.32200286135288875
EOS-3-25981,Cc1cc(-c2nccnc2-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccn1,XKKIVIXRZRDSGO-UHFFFAOYSA-N,3,1,0.398,7,535,431.847,2.974,5,0.413,0.63,0.996,0.44344116236035913,0.4328267425125077,0.17538208484682338,0.19035706942635872,0.3105017647865122
EOS-3-25982,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6F)nn5)n34)nc2)n1,HFLMPSRTHXPQKL-UHFFFAOYSA-N,3,1,0.269,99,312,441.394,1.159,6,0.366,0.64,0.979,0.0023130697005003084,0.10727503255431431,0.037043382907271605,0.0529864299910904,0.04990447878829416
EOS-3-25983,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)[nH]n2)nn1,SJTNWPQWJOZLGX-UHFFFAOYSA-N,3,1,0.394,53,587,420.824,2.302,5,0.454,0.65,0.319,0.31425193612500857,0.3194349256390926,0.12340655198409979,0.1334641217188678,0.22263938386676718
EOS-3-25984,COc1nc(Cl)cc(Cc2cncc3nnc(-c4ccc(C(F)F)c(F)c4)n23)n1,IZVVFTKEHCPUDE-UHFFFAOYSA-N,3,1,0.373,66,225,420.782,3.911,4,0.455,0.66,1.0,0.5579809471592078,0.6893376053731752,0.8834983894181344,0.8546364197107806,0.7463633404153245
EOS-3-25985,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)ncc1Cl,BAQFIBOBXZPXHW-UHFFFAOYSA-N,3,1,0.494,46,267,433.834,4.015,5,0.413,0.64,1.0,0.5529607292166404,0.5835103831128778,0.7041498183811938,0.729884860530464,0.6426264478102941
EOS-3-25986,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cc5)n34)nc2)no1,UNRDACBTHRKAFN-UHFFFAOYSA-N,3,1,0.327,38,983,450.437,4.413,6,0.389,0.73,1.0,0.32929545610307726,0.3816565005825509,0.48508498389418137,0.49743848947981634,0.42336885751490644
EOS-3-25987,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ocnc5-c5ccccc5)n34)cn2)n1,AMPNBTSMMRBUBL-UHFFFAOYSA-N,3,1,0.322,32,321,422.408,3.867,6,0.417,0.7,1.0,0.22031560551024604,0.12315811116441643,0.1410201494071688,0.16303714618600507,0.1618827530669591
EOS-3-25988,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5cccnc5Cl)n34)c2)cn1,PRYGNOSXTYKCCQ-UHFFFAOYSA-N,3,1,0.448,2,36,418.848,3.214,5,0.404,0.76,1.0,0.4411109588102255,0.44135939962990883,0.5567730107600576,0.5275512302104036,0.4916986498526489
EOS-3-25989,CNC(=O)c1ccc(-c2nnc3cncc(-c4sc(C)nc4-c4cccc(F)c4F)n23)cc1,BZGAHYDCRIMBGO-UHFFFAOYSA-N,3,1,0.404,62,3,462.485,4.528,5,0.424,0.68,0.999,0.16753478171475567,0.30410013021725724,0.592300047974779,0.5409927352477555,0.40123192378863687
EOS-3-25990,COCc1ncc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4)n23)cn1,PJFIGZNTLNXOJK-UHFFFAOYSA-N,3,1,0.464,82,943,428.456,3.229,5,0.406,0.66,1.0,0.4156928928791721,0.2682561167843191,0.16887978891097252,0.10228908231101363,0.23877947022136936
EOS-3-25991,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)nc5)[nH]4)n23)cn1,LXKZCRSXGVMLRY-UHFFFAOYSA-N,3,1,0.297,98,407,439.418,2.573,6,0.415,0.61,0.399,0.14533787951476937,0.22767459392776368,0.2372524158727983,0.2573675553423343,0.21690811116441644
EOS-3-25992,CCOCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,NQKFLHKONHQURV-UHFFFAOYSA-N,3,1,0.841,48,948,426.879,4.742,4,0.407,0.75,1.0,0.9575423206085943,0.9812984031252142,0.9140651771640053,0.8879617572476184,0.935216914536358
EOS-3-25993,Fc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,UPUUBBDNHSORKO-UHFFFAOYSA-N,3,1,0.608,34,232,450.836,4.759,5,0.384,0.75,1.0,0.972585840586663,0.9871324789253649,0.9369045987252416,0.9451031457747927,0.9604315160030156
EOS-3-25994,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnnn6C)c5)n34)cc2)n[nH]1,KPIMWOWXQFNYSN-UHFFFAOYSA-N,3,1,0.517,67,402,464.493,3.259,6,0.398,0.68,1.0,0.44583133438420947,0.3332962099924611,0.2517390857377836,0.22202042354876295,0.3132217634158042
EOS-3-25995,Cc1ncc(-c2ccccc2)c(COc2cncc3nnc(-c4ccc(C#N)nc4)n23)n1,XEVFVELTIWDPJE-UHFFFAOYSA-N,3,1,0.472,4,700,420.436,3.402,5,0.425,0.72,1.0,0.5775392365156603,0.544950654513056,0.42073024467137277,0.37552258241381675,0.4796856795284765
EOS-3-25996,Fc1cc(Cl)ccc1Cc1cncc2nnc(-c3cnc(-c4ccnc(Cl)c4)nc3)n12,RYEZNCKDSJSHJE-UHFFFAOYSA-N,3,1,0.358,14,81,452.28,4.68,5,0.369,0.78,1.0,0.42515934480159,0.4637105064765952,0.8448444246453293,0.9060465355356041,0.6599402028647796
EOS-3-25997,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ncn2)n1,PTGPONVMZFMKJU-UHFFFAOYSA-N,3,1,0.415,46,395,431.847,2.974,5,0.387,0.64,0.997,0.43394044273867455,0.4372986772668083,0.16888835583578918,0.18231272702350765,0.3056100507161949
EOS-3-25998,CCn1cc(CCOc2cncc3nnc(-c4cc(-c5cnc(C)cn5)ccn4)n23)c(C)n1,UOZNPWGJDLNSAW-UHFFFAOYSA-N,3,1,0.402,31,720,441.499,3.098,5,0.379,0.66,1.0,0.08327907614282777,0.017879172092385716,0.053234870810773764,0.029341717497087246,0.04593370913576863
EOS-3-25999,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)n1,SOQUHULKBBFZQP-UHFFFAOYSA-N,3,1,0.438,2,36,431.847,2.974,5,0.387,0.64,1.0,0.5579895140840244,0.5730073332876431,0.30273798917140704,0.31790144609690907,0.43790907065999596
EOS-3-26000,Cn1cncc1-c1cc(Cl)cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c1,FUGQEEQZMOQCAU-UHFFFAOYSA-N,3,1,0.659,88,70,448.889,4.606,5,0.379,0.73,1.0,0.7641782605715852,0.7226458090603797,0.8559471592077308,0.8614813926392982,0.8010631553697485
EOS-3-26001,Cc1nc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1-c1nccn1C,VOJJBHWJLZLGFX-UHFFFAOYSA-N,3,1,0.354,51,690,433.863,2.918,5,0.389,0.64,1.0,0.4618943184154616,0.45490370776506067,0.10131245288191351,0.1022976492358303,0.2801020320745665
EOS-3-26002,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ncc(Cl)cn4)n23)cc1,CIVWQTWOCYZDRG-UHFFFAOYSA-N,3,1,0.274,39,495,468.872,2.549,6,0.379,0.66,1.0,0.13470632581728462,0.21706874100472895,0.04285175793297238,0.09818552532382976,0.12320308751970391
EOS-3-26003,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ccc2F)cn1,SNQIXCMJAIBAIL-UHFFFAOYSA-N,3,1,0.472,4,662,430.447,3.317,5,0.422,0.65,1.0,0.44805873483654307,0.47230313206771296,0.36206394352683163,0.27510965663765335,0.3893838667671853
EOS-3-26004,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cn1,CXZQRDHPVJGJEN-UHFFFAOYSA-N,3,1,0.6,11,384,446.873,4.662,5,0.353,0.78,1.0,0.7813121102049209,0.8317541635254609,0.835206634226578,0.8614899595641149,0.8274407168802687
EOS-3-26005,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(C)n4)n23)nn1,FOHJUZCZGLKQJG-UHFFFAOYSA-N,3,1,0.402,31,602,443.446,2.811,5,0.39,0.6,1.0,0.6286666438215338,0.5403673497361388,0.08692001918991159,0.07403536426564321,0.33249734425330685
EOS-3-26006,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5F)n34)c2)nc1,YVQCGDNZEDDCLM-UHFFFAOYSA-N,3,1,0.438,54,873,432.394,2.938,5,0.377,0.65,0.999,0.7372181481735316,0.5730159002124597,0.5127732849016517,0.5311322047837708,0.5885348845178535
EOS-3-26007,Cc1ncc(-c2cc(CO)cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cn1,BLZUFWNAQYXEOC-UHFFFAOYSA-N,3,1,0.489,59,253,460.444,3.906,5,0.41,0.7,1.0,0.8665273113563156,0.684265985881708,0.9094047700637379,0.8597680076759646,0.8299915187444316
EOS-3-26008,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ncno5)nc4)n23)nc1,FYWMARMKGSNXGV-UHFFFAOYSA-N,3,1,0.489,27,69,422.355,3.148,5,0.407,0.71,1.0,0.5067079021314509,0.5042063600849839,0.62564251936125,0.5275597971352204,0.5410291446782263
EOS-3-26009,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)ccn2)n1,RYQFDEGWCKXGBX-UHFFFAOYSA-N,3,1,0.523,75,359,428.431,3.107,5,0.38,0.68,1.0,0.8623038174216983,0.6893461722979919,0.3027465560962237,0.2545233363032006,0.5272299705297786
EOS-3-26010,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(C#N)c5)n34)c2)nn1,XHWSYMGXNFHEKH-UHFFFAOYSA-N,3,1,0.479,19,159,452.453,3.584,5,0.384,0.66,0.997,0.7254129257761633,0.6553697484750873,0.6688883558357892,0.6073007333287643,0.6642429408539511
EOS-3-26011,Cc1cc(-c2nnn(C)n2)cnc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)cc3)n12,PRJOOWVGDQRDBW-UHFFFAOYSA-N,3,1,0.311,98,725,464.468,3.553,6,0.364,0.69,1.0,0.2011085600712768,0.34819409224864645,0.32116544445205947,0.3528630662737304,0.3058327907614283
EOS-3-26012,Fc1cc(-c2cccnc2F)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)n1,QFLKFMXEFQGKLG-UHFFFAOYSA-N,3,1,0.442,18,161,449.396,3.682,5,0.365,0.7,1.0,0.8247292851757932,0.7412446028373655,0.8117161263792749,0.8012387773284901,0.7947321979302309
EOS-3-26013,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cc(-c4ccccc4)ncn3)n12,BLISTOFAFWUYFK-UHFFFAOYSA-N,3,1,0.432,44,130,447.861,4.057,5,0.387,0.68,0.954,0.7222774312932629,0.7040812829826606,0.5667877458707422,0.6483705708998698,0.6603792577616339
EOS-3-26014,Cc1cc(-c2nnn(C)n2)ccc1-c1nnc2cncc(OCc3cnc(F)cc3Cl)n12,RQYXLIJJZZFWJY-UHFFFAOYSA-N,3,1,0.472,36,258,451.853,3.057,5,0.375,0.68,1.0,0.5579980810088411,0.5885905695291618,0.41698649852648895,0.4292629017887739,0.4982095127133165
EOS-3-26015,COc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)nc2)n1,BJDFFIZMEMFQEO-UHFFFAOYSA-N,3,1,0.449,65,840,432.469,2.73,5,0.383,0.7,1.0,0.49917757521759987,0.34342231512576243,0.10132101980673018,0.06652217120142553,0.2526107703378795
EOS-3-26016,COCc1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5F)n4)n23)cn1,VAOZXGCGJXHDHI-UHFFFAOYSA-N,3,1,0.366,29,704,414.404,2.991,5,0.432,0.76,0.998,0.43179871153450755,0.4995973545336166,0.3247464190254266,0.3400897813720787,0.39905806661640736
EOS-3-26017,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccncc5)n4)n23)cn1,KDLNPIQWQSXYKC-UHFFFAOYSA-N,3,1,0.261,99,286,436.443,2.107,6,0.399,0.61,0.919,0.029821465286820642,0.01942978548420259,0.02028647796586937,0.020594887259269414,0.022533153999040503
EOS-3-26018,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)cc4F)n23)c(F)c1,IUPQKGFUHKPESR-UHFFFAOYSA-N,3,1,0.464,13,145,420.354,4.458,5,0.427,0.76,1.0,0.8441248029607292,0.9033222534439038,0.9543982592008773,0.9539956137344938,0.913960232335001
EOS-3-26019,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)c4)n23)c1F,ASDNVOASEUNDBS-UHFFFAOYSA-N,3,1,0.483,16,606,433.422,3.752,5,0.42,0.63,1.0,0.7254214927009801,0.5683297923377424,0.8033034062093071,0.7166232609142622,0.7034194880405729
EOS-3-26020,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnnc6)nc5)n34)cc2)n1,CYENMODAECWXCW-UHFFFAOYSA-N,3,1,0.307,42,725,433.435,3.669,6,0.41,0.64,1.0,0.17856041395380715,0.1482849016517031,0.3322082105407443,0.2991313138235899,0.23954620999246107
EOS-3-26021,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccncc5)n34)cn2)c1F,PIMKGCZTEQIOLI-UHFFFAOYSA-N,3,1,0.282,64,449,464.439,4.651,6,0.375,0.77,0.997,0.28777157151668836,0.3381964909875951,0.7451168528544994,0.787651634569255,0.5396841374820094
EOS-3-26022,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)nc1,LRAUPMYTAVKTKB-UHFFFAOYSA-N,3,1,0.359,32,20,448.465,4.455,6,0.396,0.7,1.0,0.15127475841272017,0.2784593242409705,0.6688969227606059,0.6742598176958399,0.4432227057775341
EOS-3-26024,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5cnc(F)cn5)c4)n23)c(F)c1,PYQHIDRCMXWSQF-UHFFFAOYSA-N,3,1,0.432,13,995,421.342,3.853,5,0.435,0.68,1.0,0.7128966486190117,0.7929031594818724,0.8811253512439174,0.8754283462408334,0.8155883763964087
EOS-3-26025,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nc2)nn1,AFHCPFOYRPCNCA-UHFFFAOYSA-N,3,1,0.258,86,421,433.439,2.501,6,0.412,0.61,0.993,0.02106606812418614,0.01044308135151806,0.1655558220821054,0.1607412103351381,0.08945154547323693
EOS-3-26026,COc1cncc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)cnc2OC)c1,CELDYTGWJIGIRN-UHFFFAOYSA-N,3,1,0.424,2,657,459.441,3.379,5,0.362,0.73,1.0,0.7755808375025701,0.659918785552738,0.6377304502775684,0.4384209444177918,0.627912754437667
EOS-3-26027,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)c2)nn1,YBAXMBLOIQDRBO-UHFFFAOYSA-N,3,1,0.24,86,421,434.427,1.896,6,0.404,0.62,0.956,0.011436844630251524,0.006108217394284148,0.10132958673154685,0.10872284284833117,0.056899372901103425
EOS-3-26028,Fc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)n1,GLOPLUGYHRPYJO-UHFFFAOYSA-N,3,1,0.5,75,420,448.849,3.452,5,0.364,0.66,1.0,0.8463179357137962,0.8282417243506272,0.38092831197313415,0.42927146871359056,0.621189860187787
EOS-3-26029,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)cn1,XEASYGZCZOESSM-UHFFFAOYSA-N,3,1,0.517,59,577,448.408,4.553,5,0.367,0.76,1.0,0.9069460626413542,0.8755054485641834,0.942644438352409,0.9117521074635049,0.9092120142553628
EOS-3-26030,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cncn4C)n23)n1,QNEFXJWGVIDPCU-UHFFFAOYSA-N,3,1,0.378,31,330,431.435,2.446,5,0.403,0.64,0.73,0.43640771708587484,0.26826468370913575,0.1317079021314509,0.11587622507024878,0.23806413199917756
EOS-3-26031,CCn1ncnc1-c1ncccc1-c1nnc2cncc(OCc3cnc(C(F)(F)F)nc3)n12,OYMUGMNZJQNXJB-UHFFFAOYSA-N,3,1,0.417,92,900,468.403,2.852,5,0.37,0.67,0.872,0.45741381673634435,0.40998732095127133,0.26949832088273595,0.16304571311082175,0.32498629292029335
EOS-3-26032,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)c(F)c5)n34)n2)c1,FEKYPHQGMBOZGM-UHFFFAOYSA-N,3,1,0.289,39,527,472.394,3.308,6,0.384,0.69,0.858,0.04966246316222329,0.21214275923514495,0.4394575423206086,0.607309300253581,0.32714301624288944
EOS-3-26033,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncnn5C)ccn4)n23)nc1,WUYVXKLUUACIGW-UHFFFAOYSA-N,3,1,0.41,33,53,456.47,1.658,5,0.374,0.67,0.631,0.19013432938112534,0.05970289904735796,0.034464738537454596,0.00817284627510109,0.07311870331025974
EOS-3-26034,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)c2)nn1C,ZLNHCRCWNMJFGK-UHFFFAOYSA-N,3,1,0.483,13,145,437.385,4.105,5,0.394,0.74,1.0,0.4891971078061819,0.5885991364539784,0.7325234733739977,0.6946490987595093,0.6262422040984168
EOS-3-26035,O=C(Nc1cccnc1Cl)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,VYCFIMFXJOJKSE-UHFFFAOYSA-N,3,1,0.386,82,243,478.85,4.487,5,0.37,0.85,0.953,0.07908984990747721,0.2942653005277226,0.745125419779316,0.6714327325063395,0.44747832568021384
EOS-3-26036,CNC(=O)c1ccc(-c2nnc3cncc(Cc4nnc(C)n4C(C)C)n23)cc1F,VCLDYPURWYPHGI-UHFFFAOYSA-N,3,1,0.398,78,306,408.441,2.362,4,0.544,0.83,1.0,0.19014289630594203,0.18050510588719074,0.06896374477417586,0.030292646151737372,0.1174760982797615
EOS-3-26037,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)ccn1,VFIKUOHBWNWOSN-UHFFFAOYSA-N,3,1,0.406,46,128,434.822,3.41,5,0.387,0.63,1.0,0.5636351175382085,0.7272633815365637,0.5859947913097114,0.6135288876704817,0.6226055445137413
EOS-3-26038,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,UYWRAZBTLNBDIO-UHFFFAOYSA-N,3,1,0.494,65,456,440.467,2.977,5,0.377,0.66,1.0,0.4387293537111918,0.167629017887739,0.15306524569940375,0.08299636762387773,0.21060499623055307
EOS-3-26039,c1cc(-c2ccc(-c3nnc4cncc(OCc5nccnc5-c5ccncc5)n34)cc2)ccn1,YYLSKGQLMGRXBS-UHFFFAOYSA-N,3,1,0.5,41,25,458.485,4.284,6,0.364,0.73,1.0,0.46453293125899525,0.42819203618669044,0.5056456034541841,0.4822150640805976,0.4701464087451168
EOS-3-26040,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cccnc6)n5)n34)cn2)cc1,ZQJFFUXDHFWZCQ-UHFFFAOYSA-N,3,1,0.473,28,363,458.485,4.284,6,0.364,0.73,1.0,0.4528647796586937,0.40075217599890345,0.39937290110341994,0.3884586388869851,0.41036212391200055
EOS-3-26041,Cn1nnc(-c2ccc(-c3nnc4cncc(Cc5ccc(-c6cncnc6)nc5)n34)cn2)n1,BKHFJZUEZGLSHW-UHFFFAOYSA-N,3,1,0.303,99,165,448.454,1.82,6,0.384,0.63,1.0,0.05113597423069015,0.06371221986155849,0.06675347817147556,0.064937290110342,0.06163474059351655
EOS-3-26043,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)n1,SQEBBTSJDQTOSB-UHFFFAOYSA-N,3,1,0.473,11,769,447.861,4.057,5,0.362,0.7,0.958,0.7868977451853882,0.8167534781714756,0.5700860119251594,0.6194143650195326,0.698287900075389
EOS-3-26044,COc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)cc1,IQAJBWSLJTULSQ-UHFFFAOYSA-N,3,1,0.635,91,560,459.456,4.762,5,0.349,0.85,0.999,0.9020714824206703,0.7885768624494551,0.9113922966212048,0.8696199712151326,0.8679151531766156
EOS-3-26045,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)nc2)nc1,WGKRSBQYSXVZEF-UHFFFAOYSA-N,3,1,0.407,46,775,452.812,3.549,5,0.373,0.68,1.0,0.8752056061956001,0.8317627304502776,0.6826468370913576,0.702830511959427,0.7731114214241656
EOS-3-26046,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cn1,NAZWQQLONIDTDW-UHFFFAOYSA-N,3,1,0.429,31,873,429.419,2.502,5,0.401,0.61,0.673,0.547734905078473,0.4854704955109314,0.21586937153039545,0.21051504351997807,0.3648974539099445
EOS-3-26047,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5ncncc5F)c4)n23)nc1,OMLFXSDSDASOAA-UHFFFAOYSA-N,3,1,0.274,86,249,455.392,2.564,6,0.394,0.6,0.998,0.02885340278253718,0.13339558632033446,0.20557192790076073,0.2721369337262696,0.1599894626824755
EOS-3-26048,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)cn5)ncc4Cl)n23)nc1,HTWZLYUKQVZOEZ-UHFFFAOYSA-N,3,1,0.398,7,62,444.886,3.888,5,0.402,0.64,1.0,0.6258909601809335,0.6214875608251662,0.4065605510246042,0.36913165650058255,0.5057676821328216
EOS-3-26049,Fc1ccc(Cl)c(-c2nnc3cncc(-c4nc(-c5ccc(OC(F)F)nc5)no4)n23)c1,AOHVALQZBLHVPV-UHFFFAOYSA-N,3,1,0.362,45,575,459.775,4.297,5,0.383,0.75,0.999,0.7006116784319101,0.754540470152834,0.8480398876019464,0.8768418888355836,0.7950084812555684
EOS-3-26050,Fc1cccc(-c2nccc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)n2)c1,CCQFPJCHYSCPEC-UHFFFAOYSA-N,3,1,0.444,45,730,420.81,4.847,5,0.417,0.84,1.0,0.33892467959701184,0.6401206223014186,0.9021742855184703,0.9443321225412926,0.7063879274895484
EOS-3-26051,Cc1ccn(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5F)n34)cc2)n1,KPTVEKLMNQRUFY-UHFFFAOYSA-N,3,1,0.308,64,27,466.455,4.688,6,0.375,0.8,1.0,0.03240867658145432,0.15219141936810363,0.677352477554657,0.7193646768555959,0.39532931258995274
EOS-3-26052,Fc1ccc(Cc2nccc(-c3nnc4cncc(Cc5ccc(Cl)nc5)n34)n2)nc1,QJMSEKCBYBHVNT-UHFFFAOYSA-N,3,1,0.337,85,81,432.85,3.345,5,0.393,0.61,0.997,0.287780138441505,0.31944349256390925,0.4169950654513056,0.514469536015352,0.3846720581180179
EOS-3-26054,Clc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)c1,KUEGHLUPEFMHSM-UHFFFAOYSA-N,3,1,0.317,10,705,451.881,4.149,6,0.397,0.67,1.0,0.01314166266876842,0.15980741553012132,0.4744105955726133,0.5859605236104448,0.30833004934548697
EOS-3-26055,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)n2)cc1,WFXHMAZTWAOLKV-UHFFFAOYSA-N,3,1,0.301,64,144,451.881,4.149,6,0.397,0.67,1.0,0.028861969707353847,0.14829346857651976,0.2883712562538551,0.4638818449729285,0.23235213487766432
EOS-3-26056,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,ZPQZXNNFAUFFJH-UHFFFAOYSA-N,3,1,0.342,69,152,441.451,4.771,6,0.389,0.75,1.0,0.3214738537454595,0.41945377287368923,0.6409944486327188,0.6426821328216024,0.5061510520183674
EOS-3-26057,COc1nc(-c2ccc(F)nn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,QRWBBRWBFYRCOL-UHFFFAOYSA-N,3,1,0.506,58,710,444.43,2.808,5,0.374,0.64,0.999,0.7314868754711809,0.5730244671372764,0.2732335001028031,0.2014084024398602,0.4447883112877801
EOS-3-26058,Oc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncc(F)cn1,WZTSIHXBGXLQBN-UHFFFAOYSA-N,3,1,0.54,35,161,447.405,3.249,5,0.422,0.59,1.0,0.9020800493454869,0.8244979782057432,0.64975841272017,0.6009954766636968,0.7443329792337742
EOS-3-26059,Fc1cncc(-c2cnnc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)n2)c1,FIUHGJVHFLAUED-UHFFFAOYSA-N,3,1,0.398,51,434,436.798,2.2,5,0.378,0.62,1.0,0.6147196902199986,0.7365156603385649,0.2195017476526626,0.29603008703995615,0.46669179631279556
EOS-3-26060,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)nc4)n23)nc1,OICCNKJPDOQITQ-UHFFFAOYSA-N,3,1,0.437,51,196,451.277,3.924,5,0.371,0.68,1.0,0.6490644918100199,0.7180796381330957,0.43558529230347476,0.5311407717085875,0.5834675484887945
EOS-3-26061,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)s5)n34)n2)nc1,GIDLVQSIWISLPW-UHFFFAOYSA-N,3,1,0.295,76,557,452.478,4.573,6,0.387,0.75,1.0,0.20945274484271126,0.2428466177780824,0.3773045027756836,0.43246693167020767,0.3155176992666712
EOS-3-26062,Cc1cccc(-c2cnc(C)nc2-c2nnc3cncc(Cc4nnc5c(C)cc(F)cn45)n23)c1,LGVIRCGGSBWWOX-UHFFFAOYSA-N,3,1,0.28,85,81,465.496,3.946,6,0.389,0.69,1.0,0.2505054485641834,0.237440888218765,0.1560551024604208,0.22472757179082997,0.2171822527585498
EOS-3-26063,Cc1c(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ncn2)cnn1C,XEPNBTKRHNZFSH-UHFFFAOYSA-N,3,1,0.368,33,53,482.508,2.156,6,0.37,0.82,1.0,0.12637070797066685,0.07461791515317662,0.027328490165170312,0.018007675964635733,0.06158119731341238
EOS-3-26064,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1,ARUDNQLPIYHVGC-UHFFFAOYSA-N,3,1,0.307,98,154,421.428,2.434,6,0.46,0.61,1.0,0.09291686656157906,0.08498389418134467,0.14386436844630252,0.13797032417243507,0.11493386334041533
EOS-3-26065,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)c2)nn1,YEIHRJKJUSTOFM-UHFFFAOYSA-N,3,1,0.322,94,515,450.441,3.245,6,0.402,0.6,0.995,0.06898944554862586,0.1889777945308752,0.3656106504009321,0.4197107806181893,0.2608221677746556
EOS-3-26066,Cn1cc(-c2nnc3cncc(OCCc4cnccn4)n23)cc(-c2ccsc2)c1=O,JNTMYJFJSKZAKO-UHFFFAOYSA-N,3,1,0.456,65,822,431.481,2.63,5,0.407,0.65,1.0,0.23402268521691455,0.012207867863751628,0.16556438900692208,0.16074977725995476,0.14313617983688576
EOS-3-26067,Cc1nn(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(C)(C)N)nc5)n34)nc2)c1F,AFCQJTRIKROVDX-UHFFFAOYSA-N,3,1,0.37,82,974,443.49,3.29,5,0.453,0.6,0.675,0.15931910081557124,0.2170773079295456,0.33945582893564524,0.1738571722294565,0.22242735247755466
EOS-3-26068,CCc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)nn1,LHTFYEOFEFVDQN-UHFFFAOYSA-N,3,1,0.523,4,617,444.886,3.833,5,0.389,0.64,0.993,0.49407168802686585,0.6795027756836406,0.3136522513878418,0.32729079569597697,0.4536293776985813
EOS-3-26069,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cncnn5)s4)n23)nc1,QESHDLRJPVMXMB-UHFFFAOYSA-N,3,1,0.311,33,647,469.534,2.777,6,0.386,0.63,0.907,0.06157905558220821,0.048377424439723114,0.01940408470975259,0.03338530601055445,0.04068646768555959
EOS-3-26070,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncsn5)cn4)n23)cc1,XSPVDKSUERJFJP-UHFFFAOYSA-N,3,1,0.618,4,539,421.873,3.937,5,0.424,0.71,1.0,0.6768041943663903,0.8352494688506613,0.4465081214447262,0.5144781029401686,0.6182599719004866
EOS-3-26071,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)nc5)n34)ccc2F)cn1,STWREFSKHYMZFZ-UHFFFAOYSA-N,3,1,0.512,97,91,441.401,3.977,5,0.38,0.7,1.0,0.9069546295661709,0.8916455349187855,0.9296826811047906,0.9094219039133713,0.9094261873757795
EOS-3-26072,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nnc2F)ccn1,HEWHZHXWIDLFHB-UHFFFAOYSA-N,3,1,0.448,18,87,432.394,2.938,5,0.377,0.67,1.0,0.789613460352272,0.6073264341032143,0.5331197313412378,0.5375573983962717,0.616904256048249
EOS-3-26073,Cn1ncnc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,LDDDOFDHUVKVIT-UHFFFAOYSA-N,3,1,0.372,46,157,419.836,2.609,5,0.4,0.72,1.0,0.34354225207319583,0.3769875265574669,0.1785432801041738,0.2279658693715304,0.28175973202659177
EOS-3-26074,Cn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3nncnc3-c3cccc(F)c3)n12,NDYLJGZIKXDSRR-UHFFFAOYSA-N,3,1,0.322,8,356,469.419,2.779,6,0.358,0.71,0.784,0.06899801247344253,0.22244876978959632,0.12054519909533273,0.26027174285518473,0.16806593105338907
EOS-3-26075,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)nc1,LQEHWASCUVDXTA-UHFFFAOYSA-N,3,1,0.534,54,65,432.394,2.938,5,0.403,0.61,1.0,0.7698409978754026,0.6356915221712014,0.46401034884517856,0.5075217599890344,0.5942661572202043
EOS-3-26076,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)c5cccs5)nc4)n23)cc1,AFFLWMMGGCYLHY-UHFFFAOYSA-N,3,1,0.37,52,916,480.553,3.962,6,0.354,0.84,0.998,0.1785689808786238,0.10056713042286342,0.14387293537111917,0.14743677609485298,0.14261145569186484
EOS-3-26077,c1cc(-c2ccnnc2)nc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1,WQXSQDLUUXQQPT-UHFFFAOYSA-N,3,1,0.277,70,957,434.488,4.434,6,0.405,0.71,1.0,0.05803234870810774,0.09432184223151258,0.4355938592282914,0.47010999931464603,0.26451451237063944
EOS-3-26078,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)nn2C)cn1,BJNPFTWHIQEXHE-UHFFFAOYSA-N,3,1,0.402,92,694,439.842,2.692,5,0.388,0.65,0.937,0.3293040230278939,0.2835823452813378,0.43179871153450755,0.41971934754300594,0.3661011068466863
EOS-3-26079,Cn1cnnc1-c1cc(F)c(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cn1,GJLNGHDGDCUDRW-UHFFFAOYSA-N,3,1,0.291,98,880,451.429,2.64,6,0.398,0.6,0.856,0.14534644643958605,0.20264203961346036,0.1205537660201494,0.2047066684942773,0.16831223014186827
EOS-3-26080,CCn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cn1,NDPARSAAOJTOKC-UHFFFAOYSA-N,3,1,0.289,38,167,435.451,3.787,6,0.402,0.64,1.0,0.22032417243506272,0.11960283736549929,0.2773284901651703,0.257376122267151,0.21865790555822082
EOS-3-26081,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc(C)n2)nn1,BUVGBSDJJKOIPI-UHFFFAOYSA-N,3,1,0.367,53,602,460.889,2.72,5,0.372,0.65,0.985,0.5141097251730519,0.46796826811047904,0.04948255774107326,0.05871770269344116,0.27256956342951133
EOS-3-26082,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cc1,DPEJHAHEMZPNSR-UHFFFAOYSA-N,3,1,0.329,9,498,464.468,3.728,6,0.379,0.7,1.0,0.19015146323075868,0.27846789116578713,0.20187958330477693,0.3056593105338908,0.2440395620588034
EOS-3-26083,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)n2)cc1,DVUHOYJHIZTXRA-UHFFFAOYSA-N,3,1,0.347,10,871,441.455,3.697,6,0.411,0.61,0.947,0.03116647248303749,0.18452299362620794,0.3175245014049757,0.3916541018436022,0.23121701733945582
EOS-3-26084,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)cc2)n(C)n1,UHFVOINIQXEPJU-UHFFFAOYSA-N,3,1,0.32,98,882,452.507,3.476,6,0.4,0.64,1.0,0.02197416215475293,0.048385991364539783,0.10917688986361455,0.11103591254883147,0.07264323898293468
EOS-3-26085,Cc1c(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)cn2)nnn1C,OYISNBIUYSAWSB-UHFFFAOYSA-N,3,1,0.303,39,972,464.468,3.553,6,0.389,0.66,0.999,0.10530463984648071,0.1805136728120074,0.14678568980878623,0.21904770063737922,0.1629129257761634
EOS-3-26086,Cc1cnc(-c2cc(C#N)cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)cn1,LQUOALGINWGEFG-UHFFFAOYSA-N,3,1,0.462,4,208,455.869,3.451,5,0.391,0.62,1.0,0.5580066479336577,0.6599273524775546,0.5399390034953053,0.5176564320471524,0.5688823589884175
EOS-3-26087,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnnc5)cn4)n23)cn1,NMNFFNITFVAIQG-UHFFFAOYSA-N,3,1,0.38,80,816,464.453,1.808,6,0.355,0.65,1.0,0.29603008703995615,0.16378246864505516,0.07763347268864368,0.05720992392570763,0.14866398807484069
EOS-3-26088,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nncc(-c5ccccn5)n4)n23)nc1,VIGJNFNMHOJAEA-UHFFFAOYSA-N,3,1,0.438,33,53,466.465,1.904,6,0.377,0.62,1.0,0.2716571859365362,0.10728359947913096,0.015377630045918717,0.019147076965252554,0.1033663731067096
EOS-3-26089,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c(F)n1,LQCDRMIHDJZSTR-UHFFFAOYSA-N,3,1,0.639,84,73,433.422,3.487,5,0.381,0.67,1.0,0.7840620930710712,0.6893547392228085,0.5500736755534233,0.5410013021725721,0.6411229525049689
EOS-3-26090,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)cc1F,JGHOVASURXTYCG-UHFFFAOYSA-N,3,1,0.529,73,469,417.379,3.501,5,0.432,0.72,1.0,0.6430762113631691,0.6306456034541841,0.780018504557604,0.7509851963539168,0.7011813789322184
EOS-3-26091,Clc1ccc(-c2nnc3cncc(Cc4ccc(OCc5ccccc5)nc4)n23)cc1,ZCGXCIJBEOTFSV-UHFFFAOYSA-N,3,1,0.471,79,824,427.895,5.01,5,0.381,0.83,1.0,0.6089798505928312,0.8422143787266123,0.8302121170584607,0.8323452813378109,0.7784379069289288
EOS-3-26092,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C#N)c5F)n34)cn2)on1,RMUXLYOGXNHXLG-UHFFFAOYSA-N,3,1,0.472,59,109,445.389,3.879,5,0.4,0.73,1.0,0.7869063121102049,0.7628675210746351,0.848048454526763,0.7759920498937701,0.7934535844013432
EOS-3-26094,Fc1ccc(-c2ncc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)s1,CDODXBJSTRZYJI-UHFFFAOYSA-N,3,1,0.494,55,959,439.863,4.076,5,0.381,0.71,1.0,0.8167106435473922,0.7226543759851963,0.55008224247824,0.5890017819203619,0.6696122609827976
EOS-3-26095,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)nc5)n34)nn2)n(C)n1,AHYCGLFCHGDLMM-UHFFFAOYSA-N,3,1,0.291,99,14,447.466,2.809,6,0.401,0.6,1.0,0.0690065793982592,0.06372078678637516,0.15004968816393668,0.13797889109725173,0.10518898636145568
EOS-3-26096,Fc1cc(-c2nnc3cncc(OCc4nc(-c5ncns5)ns4)n23)ccc1Cl,NDPCLOIYXALKTJ-UHFFFAOYSA-N,3,1,0.53,73,212,446.88,3.533,5,0.404,0.71,1.0,0.6916678089233089,0.8128640943047084,0.11173840038379823,0.2602803097800014,0.4691376533479542
EOS-3-26097,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cnn1,YZJPLNRCEQZDTC-UHFFFAOYSA-N,3,1,0.375,51,924,434.851,2.487,5,0.396,0.64,1.0,0.36663868137893224,0.35287163319854703,0.09618943184154616,0.10873140977314782,0.2311077890480433
EOS-3-26098,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)nc6F)nn5)n34)cc2)nn1,HMGGZZZDXGJDRG-UHFFFAOYSA-N,3,1,0.33,98,620,457.408,2.508,6,0.371,0.64,1.0,0.027662600233020355,0.18052223973682407,0.33946439586046195,0.3789322184908505,0.23164536358028925
EOS-3-26099,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)ncn2)nc1,HRPDOTSPLCJXNL-UHFFFAOYSA-N,3,1,0.366,44,971,421.342,3.853,5,0.435,0.69,0.995,0.7038328421629771,0.7040898499074772,0.8431910081557125,0.8513981221300801,0.7756279555890617
EOS-3-26100,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(F)ncc5F)n4)n23)cc1,VWOCDMLVGPTMNW-UHFFFAOYSA-N,3,1,0.467,16,401,431.406,3.809,5,0.391,0.68,1.0,0.8511239805359468,0.7628760879994517,0.7325320402988144,0.6917192104722089,0.7595628298266055
EOS-3-26101,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,VMXNZOAZBZUNHB-UHFFFAOYSA-N,3,1,0.484,65,349,451.853,2.791,5,0.387,0.62,1.0,0.617623877732849,0.5683383592625592,0.3993814680282366,0.444966074977726,0.5075774450003427
EOS-3-26102,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cc2F)c1,BDJJFZKTHROWDL-UHFFFAOYSA-N,3,1,0.483,4,677,429.459,3.922,5,0.421,0.69,1.0,0.4817267493660476,0.48116989925296416,0.5166112672195189,0.42603317113289013,0.4763852717428552
EOS-3-26103,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccnnc6)ncn5)n34)nc2)nn1,FRBWFPOOQBRGHO-UHFFFAOYSA-N,3,1,0.243,99,813,434.427,1.896,6,0.404,0.6,0.989,0.013150229593585087,0.006707902131450894,0.12341511890891646,0.11808649167294907,0.06533993557672538
EOS-3-26104,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnn5)cn4)n23)cn1,LGNBWSNMDDIJAB-UHFFFAOYSA-N,3,1,0.258,99,813,434.427,1.896,6,0.404,0.6,0.942,0.058040915632924406,0.016277157151668838,0.05129874580220684,0.057218490850524294,0.04570882735933109
EOS-3-26105,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6c[nH]nn6)n5)n34)cc2)cc1,IFZFHRREYXHUDZ-UHFFFAOYSA-N,3,1,0.387,93,74,434.438,4.445,6,0.44,0.68,0.998,0.2176427249674457,0.39092591323418546,0.7141474196422453,0.7713916112672196,0.523526917277774
EOS-3-26106,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)s1,QFLPGYAAWKALJZ-UHFFFAOYSA-N,3,1,0.417,31,194,451.903,3.078,5,0.383,0.66,0.403,0.529864299910904,0.49490267973408264,0.07329860873140977,0.11588479199506545,0.30348759509286544
EOS-3-26107,Fc1cc(F)cc(-c2nnc(-c3cncc4nnc(-c5ccc(F)cc5F)n34)s2)c1,MUMTUWKQMVQOOL-UHFFFAOYSA-N,3,1,0.388,45,730,428.374,4.533,5,0.395,0.76,1.0,0.2530241244602837,0.573033034062093,0.8797289424988006,0.9359365362209581,0.6604306593105339
EOS-3-26108,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnno5)cc(Cl)n4)n23)cc1,KFJNCXIGFPQJPS-UHFFFAOYSA-N,3,1,0.316,98,882,457.845,2.747,6,0.363,0.68,1.0,0.15128332533753683,0.2527414159413337,0.17207525186758962,0.22797443629634706,0.20101860736070182
EOS-3-26109,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ncccn5)cn4)n23)cc1,GPAOSITYMKQCLR-UHFFFAOYSA-N,3,1,0.588,1,676,447.405,4.285,5,0.364,0.75,1.0,0.7698495648002193,0.7087502570077445,0.8117246933040916,0.6802480981426907,0.7426431533136865
EOS-3-26110,NC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5cnccn5)s4)n23)nc1,WPUAKSZJGCXLEY-UHFFFAOYSA-N,3,1,0.433,33,760,432.429,1.173,5,0.412,0.6,1.0,0.25051401548900004,0.1268076211363169,0.01141971078061819,0.005380028784867384,0.09853034404770063
EOS-3-26112,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccn2)nc1,WTHPMGXQMNYSCG-UHFFFAOYSA-N,3,1,0.471,55,564,432.394,3.204,5,0.417,0.6,1.0,0.8533342471386471,0.6451579740936193,0.5735042149270098,0.517664998971969,0.6474153587828113
EOS-3-26113,COc1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ncccc1Cl,BVWXYSVNBSZSRJ-UHFFFAOYSA-N,3,1,0.478,49,703,462.872,4.628,5,0.363,0.81,1.0,0.792474813241039,0.7500856692481667,0.6989839627167432,0.7001319306421767,0.7354190939620313
EOS-3-26114,Cn1ncnc1-c1cc(F)c(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1F,BUCJTWLVMXDKSO-UHFFFAOYSA-N,3,1,0.31,10,871,456.42,3.113,6,0.401,0.6,0.932,0.04364848194092249,0.18053080666164073,0.3430196696593791,0.41972791446782265,0.24673171818244125
EOS-3-26115,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)c1,KSEMMNMYZHFVHQ-UHFFFAOYSA-N,3,1,0.465,2,980,421.371,2.234,5,0.425,0.64,1.0,0.4667774655609622,0.3955948872592694,0.509337948050168,0.4853334247138647,0.46426093139606606
EOS-3-26116,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)nc2C)nn1,NLHZFQHOPXACTA-UHFFFAOYSA-N,3,1,0.506,13,374,429.871,4.706,5,0.408,0.77,0.993,0.5529692961414571,0.5683469261873758,0.485093550818998,0.5043177301076006,0.5276818758138578
EOS-3-26117,Cc1cnc(-c2ccc(F)c(-c3nnc4cncc(-c5ccc(-c6n[nH]c(C)n6)nn5)n34)n2)cn1,DXEPVRDBPXHYIU-UHFFFAOYSA-N,3,1,0.269,76,14,466.444,2.641,6,0.411,0.63,0.756,0.1702162291823727,0.24285518470289905,0.05693578233157426,0.06494585703515866,0.13373826331300118
EOS-3-26118,Cc1cc(-n2ncc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n2)ncn1,GHXRSUVZAPYZKA-UHFFFAOYSA-N,3,1,0.284,39,972,451.429,2.734,6,0.398,0.6,1.0,0.012302104036734974,0.09433040915632925,0.1117469673086149,0.1712014255362895,0.09739522650949214
EOS-3-26119,OCc1cc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)ccc1C(F)F,CCGNTPVMNZKPAZ-UHFFFAOYSA-N,3,1,0.343,50,243,421.371,2.259,5,0.459,0.62,0.497,0.02107463504900281,0.11961140429031594,0.6612123912000548,0.6135374545952985,0.35385897128366806
EOS-3-26120,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)cc1,PSKQFVCVICZMNN-UHFFFAOYSA-N,3,1,0.454,44,130,443.898,4.227,5,0.388,0.69,0.953,0.7402337057089987,0.6795113426084572,0.5127818518264684,0.5444709067233225,0.6192494517168118
EOS-3-26122,Fc1cc(-c2nnc3cncc(OCc4cnnc(-c5ncc(Cl)cn5)c4)n23)ccc1Cl,JYJPRIYHSRQGDJ-UHFFFAOYSA-N,3,1,0.554,73,382,469.267,4.063,5,0.38,0.72,1.0,0.9471677746556096,0.965029812898362,0.7014512370639435,0.7876602014940717,0.8503272565279967
EOS-3-26123,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(F)c5)c4)n23)cn1,JVYNEYBDCHBDCA-UHFFFAOYSA-N,3,1,0.512,97,91,430.418,4.414,5,0.384,0.77,1.0,0.8575063395243643,0.842222945651429,0.9032708518950038,0.8678380508532657,0.8677095469810157
EOS-3-26124,Cc1cc(C#N)ncc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ncn1,UWAFQIQGZFTDSD-UHFFFAOYSA-N,3,1,0.444,18,194,435.451,2.84,5,0.395,0.64,0.998,0.6230467411417997,0.38166506750736756,0.3882701665410184,0.30869200191899115,0.4254184942772942
EOS-3-26125,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)cc1F,NKTUXRLTUUNPLA-UHFFFAOYSA-N,3,1,0.274,30,298,459.448,4.112,6,0.39,0.68,0.293,0.020012336371736,0.18898636145569186,0.6689054896854225,0.7166318278390789,0.3986340038379823
EOS-3-26126,Clc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cnccn6)nc5)n34)cn2)n1,BWFAROIDTGGJFJ-UHFFFAOYSA-N,3,1,0.29,86,780,453.857,2.939,6,0.37,0.64,0.953,0.00934651497498458,0.08499246110616133,0.19153073812624222,0.26028887670481804,0.13653964772805155
EOS-3-26127,FC(F)Oc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ccccc1,CHRSSCWIURLCBT-UHFFFAOYSA-N,3,1,0.452,49,846,461.432,3.866,5,0.343,0.76,0.989,0.7192361729833459,0.6451665410184361,0.5923086148995956,0.5444794736481393,0.6252977006373792
EOS-3-26128,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cnoc5)cn4)n23)ccc1Cl,VXUJYYIZOSQICL-UHFFFAOYSA-N,3,1,0.558,51,969,423.795,3.608,5,0.422,0.7,1.0,0.8687547118086492,0.8700140497566994,0.6963453498732095,0.7193732437804126,0.7886218388047426
EOS-3-26129,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)cn2)n1C,CPUSYWDCXRFPKT-UHFFFAOYSA-N,3,1,0.273,99,286,450.47,2.148,6,0.396,0.6,1.0,0.164896168871222,0.07114831060242616,0.039930436570488656,0.0285021588650538,0.07611926872729766
EOS-3-26130,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(C)nc(C)c5F)n34)ccn2)cn1,ICPZYSCQWRKFIB-UHFFFAOYSA-N,3,1,0.467,7,99,442.458,3.682,5,0.406,0.63,1.0,0.658034062093071,0.512970324172435,0.40656911794942086,0.27511822356247,0.4631729319443493
EOS-3-26131,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)cn5)c(F)cn4)n23)cn1,JTYKROMAOVWSIP-UHFFFAOYSA-N,3,1,0.489,7,205,428.431,3.373,5,0.42,0.65,1.0,0.6258995271057501,0.6696850798437393,0.45000342676992666,0.34009834829689534,0.5214215955040779
EOS-3-26132,c1cncc(-c2ncncc2-c2nnc3cncc(OCc4cnc(-n5cccn5)cn4)n23)c1,HQUQUUMXAMLKOJ-UHFFFAOYSA-N,3,1,0.423,80,355,449.438,2.198,6,0.372,0.66,1.0,0.16213761908025495,0.13340415324515112,0.10918545678843122,0.10230621616064697,0.12675836131862106
EOS-3-26133,Cc1ccc(-c2nnc3cncc(CCc4nccc(-c5cccc(Cl)n5)n4)n23)nn1,DKKQMCQEFCBUOA-UHFFFAOYSA-N,3,1,0.282,85,60,429.875,3.18,5,0.392,0.65,0.735,0.26097423069015147,0.2682732506339524,0.06287266122952505,0.11809505859776574,0.17755380028784867
EOS-3-26134,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)cn4)n23)c1,YIWPQXBCQUYRJZ-UHFFFAOYSA-N,3,1,0.31,64,449,451.881,4.354,6,0.424,0.67,0.876,0.23960832019738196,0.3241810019875266,0.49857789048043316,0.6249485984511,0.42182895277911037
EOS-3-26135,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)cn2)cc1F,MJTVVCLLJVLVBW-UHFFFAOYSA-N,3,1,0.327,3,668,441.401,4.577,6,0.398,0.73,1.0,0.11283496676033171,0.23744945514358165,0.8605390309094647,0.8563069700500309,0.5167826057158522
EOS-3-26136,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)o1,BQNVUVBGDTUSGC-UHFFFAOYSA-N,3,1,0.463,53,838,435.835,2.61,5,0.392,0.63,1.0,0.4991861421424166,0.5173994243026523,0.08191693509697759,0.10231478308546364,0.3002043211568775
EOS-3-26137,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(C(F)(F)F)nc5)ccn4)n23)nn1,ZRWIBGPEPZWFLM-UHFFFAOYSA-N,3,1,0.424,27,52,464.411,3.945,5,0.385,0.69,1.0,0.5399390034953053,0.5267545062024536,0.8498132410389967,0.6833236241518744,0.6499575937221576
EOS-3-26139,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncnc4F)n23)c(Cl)c1,GMRTZSYMQSILPH-UHFFFAOYSA-N,3,1,0.534,26,361,450.865,3.396,5,0.366,0.66,1.0,0.8063789322184909,0.779992803783154,0.5987852100609965,0.6010040435885134,0.6965402474127887
EOS-3-26140,Cn1ncc(-c2ccccn2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,CHSUEVRADLPECO-UHFFFAOYSA-N,3,1,0.548,4,32,417.86,3.819,5,0.432,0.76,1.0,0.5832105407442945,0.7843105338907546,0.4500119936947433,0.5176735658967857,0.5838016585566446
EOS-3-26141,Cc1cc(-c2ccnc(F)c2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,PIYRNRIAQGORBG-UHFFFAOYSA-N,3,1,0.478,35,846,427.443,3.712,5,0.382,0.71,1.0,0.7314954423959975,0.7180882050579124,0.5632153382221917,0.5209461311767528,0.6334362792132137
EOS-3-26142,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccccc5OC(F)F)n34)nn2)cc1F,FSUCNIQYDXHWSE-UHFFFAOYSA-N,3,1,0.398,22,730,441.348,3.919,5,0.385,0.72,0.913,0.1483962716743198,0.5129788910972517,0.939757384689192,0.9427386745253924,0.635967805496539
EOS-3-26143,CCc1ncnc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)n1,JCALRPRAUWZHJO-UHFFFAOYSA-N,3,1,0.337,50,261,417.383,2.941,5,0.439,0.68,1.0,0.42043896922760604,0.4459769721060928,0.21259680625042834,0.26932698238640257,0.33708493249263244
EOS-3-26145,COc1ccc(-c2nnnn2C)cc1COc1cncc2nnc(-c3[nH]ccc3Cl)n12,UWSNFAOKKQIYAU-UHFFFAOYSA-N,3,1,0.442,36,728,437.851,2.551,5,0.43,0.64,0.999,0.39174833801658554,0.4147333972997053,0.2410047289424988,0.23971112329518196,0.3217993968884929
EOS-3-26146,COc1nc(-c2nnc3cncc(OCCCc4ccccc4)n23)ccc1-c1nccn1C,TXHFXPNAZLYYRT-UHFFFAOYSA-N,3,1,0.539,49,551,441.495,3.607,5,0.34,0.76,1.0,0.427480981426907,0.085001028030978,0.12601946405318348,0.0902439860187787,0.18218636488246182
EOS-3-26147,Cc1cc(C)nc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ncn4)n23)n1,CLGQPEZFMPYIDW-UHFFFAOYSA-N,3,1,0.354,46,726,429.419,2.768,5,0.416,0.6,0.999,0.5093208142005345,0.437307244191625,0.1467942567336029,0.12270406414913303,0.3040315948187239
EOS-3-26148,Cn1cnnc1-c1ccc(-c2nnc3cncc(C(F)c4ncc(Cl)cn4)n23)cc1,HTJSHRGDQRUYRT-UHFFFAOYSA-N,3,1,0.378,36,734,421.827,3.089,5,0.439,0.62,1.0,0.2609827976149681,0.32418956891234324,0.40987595092865464,0.41016722637242137,0.3513038859570969
EOS-3-26149,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)cc6)nn5)n34)cc2)c1,SDTWCMXOOMOBPW-UHFFFAOYSA-N,3,1,0.337,3,783,448.465,4.549,6,0.393,0.73,1.0,0.019010006168185867,0.1676375848125557,0.6748166678089234,0.7028390788842437,0.39107583441847715
EOS-3-26150,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nnc[nH]6)nc5)n34)cn2)nc1,KSLVIDZORZHRPC-UHFFFAOYSA-N,3,1,0.276,70,812,419.412,2.49,6,0.457,0.64,0.678,0.08799945171681173,0.05971146597217463,0.12888938386676718,0.14505517099581933,0.10541386813789322
EOS-3-26151,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)c1,ADFATTZKORNLEV-UHFFFAOYSA-N,3,1,0.484,26,795,450.865,3.396,5,0.366,0.67,1.0,0.6735487629360565,0.5886077033787952,0.40657768487423757,0.43842951134260844,0.5267909156329245
EOS-3-26152,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5cccc(Cl)c5Cl)n34)n2)n1,SWQMAMXSVUNWAR-UHFFFAOYSA-N,3,1,0.329,22,844,424.255,3.351,5,0.438,0.62,1.0,0.12940339935576725,0.28359091220615446,0.2732420670276198,0.48534199163868136,0.2928945925570557
EOS-3-26153,COCc1ncc(-c2nnc3cncc(-c4ccnc(-c5ccc(F)c(F)n5)c4)n23)cn1,QTFAXLYYIVIAKK-UHFFFAOYSA-N,3,1,0.293,50,478,432.394,3.13,5,0.39,0.65,1.0,0.4743506270988966,0.4282006031115071,0.5166198341443355,0.4882633130011651,0.4768585943389761
EOS-3-26154,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)s5)n34)cc2F)nn1C,IFSKSRVNRBUFAZ-UHFFFAOYSA-N,3,1,0.554,36,610,456.894,3.723,5,0.397,0.68,1.0,0.46914193681036254,0.6553783153999041,0.16557295593173874,0.21052361044479473,0.3751542046467
EOS-3-26155,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(Cl)n6)n5)n34)cc2)n1C,VHZYQBOHDCETDO-UHFFFAOYSA-N,3,1,0.321,8,973,469.9,3.191,6,0.361,0.71,1.0,0.08560071276814475,0.19793879788910973,0.0987852100609965,0.145063737920636,0.13184711465972174
EOS-3-26156,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)cc2)cn1,VENLFAMAJQEIFU-UHFFFAOYSA-N,3,1,0.517,15,482,416.42,2.742,5,0.42,0.71,1.0,0.6259080940305668,0.6553868823247208,0.3773130697005003,0.340106915221712,0.499678740319375
EOS-3-26157,Cc1ccnc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)n1,AJVBMDSSORKLHL-UHFFFAOYSA-N,3,1,0.306,10,37,432.451,3.199,6,0.417,0.59,1.0,0.000496881639366733,0.006116784319100815,0.1013381536563635,0.12911212391200055,0.0592659858817079
EOS-3-26158,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(Cl)c1,VSXOVPDFMUIKLJ-UHFFFAOYSA-N,3,1,0.494,37,482,467.32,3.91,5,0.374,0.72,1.0,0.6947262010828593,0.7040984168322939,0.41313138235898844,0.5007795901583167,0.5781838976081146
EOS-3-26159,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4ncc(C#N)cc4F)n23)c1,DHLCLQCTAMWAPJ-UHFFFAOYSA-N,3,1,0.462,36,79,427.403,2.572,5,0.42,0.63,1.0,0.385031868960318,0.4328353094373244,0.5299242683846207,0.5007881570831334,0.46214490096634914
EOS-3-26160,Clc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5csnn5)c4)n23)c1,AVPFLLZBLVUBDK-UHFFFAOYSA-N,3,1,0.528,75,241,436.888,3.375,5,0.399,0.67,0.964,0.4793451442670139,0.5835189500376945,0.24809814269069974,0.3239582619422932,0.4087301247344253
EOS-3-26161,Fc1nccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)c1F,NGTATFHMACQMDR-UHFFFAOYSA-N,3,1,0.483,11,503,430.418,4.148,5,0.377,0.73,1.0,0.7954047015283394,0.6842745528065246,0.7845418408608046,0.7876687684188883,0.7629724659036392
EOS-3-26162,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ncn2)c1,XINHZBQFIHTQCB-UHFFFAOYSA-N,3,1,0.371,18,194,449.837,2.847,5,0.385,0.62,0.733,0.6768127612912069,0.6169899252964156,0.26586594476046876,0.35933966143513124,0.47975207319580565
EOS-3-26163,Clc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)c1,CSKBYPVZZJFIQC-UHFFFAOYSA-N,3,1,0.566,75,496,435.9,3.98,5,0.398,0.67,1.0,0.6827239394147077,0.7319580563360976,0.4465166883695429,0.4822236310054143,0.5858555787814406
EOS-3-26164,Clc1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)s1,WAPILODEGXWEEC-UHFFFAOYSA-N,3,1,0.333,98,63,471.897,3.272,6,0.377,0.69,0.997,0.17560482489205675,0.3382050579124118,0.06676204509629223,0.1402748269481187,0.18021168871221988
EOS-3-26165,Cc1cnc(-c2nnc3cncc(-c4nccnc4-c4cc(F)c(F)cc4F)n23)cn1,SHRYVVKEOILZKL-UHFFFAOYSA-N,3,1,0.278,39,961,420.358,3.431,5,0.413,0.68,0.944,0.37112774998286613,0.4007607429237201,0.6636625316976218,0.7114231375505449,0.5367435405386882
EOS-3-26166,Cn1nc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4ncc(F)cn4)c3)n12,KVQOGZAUKJJBLB-UHFFFAOYSA-N,3,1,0.5,16,82,436.838,3.353,5,0.417,0.63,1.0,0.457422383661161,0.4949112466588993,0.4207388115961894,0.44183914741964225,0.453727897333973
EOS-3-26167,Fc1cc(CCOc2cncc3nnc(-c4cncnc4-c4ccc(Cl)nc4)n23)ccn1,WVXURSXAIRUEOU-UHFFFAOYSA-N,3,1,0.5,35,578,448.849,3.452,5,0.364,0.69,1.0,0.862312384346515,0.852023507641697,0.5735127818518264,0.6040367349736139,0.722971352203413
EOS-3-26168,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(C)nn5)n4)n23)cc1,PRPVSDNLQRFPNM-UHFFFAOYSA-N,3,1,0.517,4,677,428.431,3.373,5,0.42,0.62,1.0,0.694734768007676,0.6991981358371598,0.25174765266260024,0.24259817695839903,0.4720696833664588
EOS-3-26169,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)nc1F,OOMAHCJYGRWJAQ-UHFFFAOYSA-N,3,1,0.427,18,773,434.41,2.882,5,0.379,0.64,1.0,0.6858594338976081,0.4996059214584333,0.5433657734219725,0.507530326913851,0.5590903639229662
EOS-3-26170,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)no1,RPBHQSITXZMVMI-UHFFFAOYSA-N,3,1,0.5,87,131,434.847,3.215,5,0.397,0.69,1.0,0.539947570420122,0.5636522513878418,0.185037009115208,0.21905626756219587,0.37692327462134195
EOS-3-26171,Cc1noc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)n1,DNHXUGYOEWPVMB-UHFFFAOYSA-N,3,1,0.288,98,154,423.4,2.392,6,0.448,0.61,1.0,0.1263792748954835,0.12681618806113357,0.08945582893564526,0.09025255294359537,0.10822596120896442
EOS-3-26172,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4ncc(F)cn4)cnn3)n12,RCRISDZMHCJIBK-UHFFFAOYSA-N,3,1,0.429,31,65,432.423,1.841,5,0.395,0.62,1.0,0.38055136728120076,0.3041086971420739,0.0552480981426907,0.05042491947090672,0.19758327050921803
EOS-3-26173,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)s4)n23)c1,ZWVBIHLRHPVOMG-UHFFFAOYSA-N,3,1,0.279,98,213,442.533,4.439,6,0.401,0.71,1.0,0.06901514632307587,0.08500959495579467,0.17855184702899046,0.26348433966143514,0.14901523199232403
EOS-3-26174,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)ccc2F)cn1,BFPRNWNUINOGRG-UHFFFAOYSA-N,3,1,0.547,40,611,467.468,3.695,6,0.398,0.69,1.0,0.7099838941813447,0.5542115002398739,0.680033925022274,0.6010126105133301,0.6363104824892056
EOS-3-26175,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)cn4)n23)cc1,AVJHRMZSNODDNS-UHFFFAOYSA-N,3,1,0.374,62,302,466.932,5.066,6,0.391,0.86,1.0,0.17857754780344048,0.2733962716743198,0.5468268110479062,0.6833321910766911,0.42053320540058936
EOS-3-26176,CCc1noc(-c2ccc(-c3nnc4cncc(Cc5ccc(Cl)nc5)n34)cc2)n1,XEIULQHVUSDNPJ-UHFFFAOYSA-N,3,1,0.37,14,81,417.86,4.043,5,0.398,0.81,1.0,0.26627715715166883,0.3769960934822836,0.27325063395243643,0.3272993626207936,0.31095581180179566
EOS-3-26177,COc1cc(-c2cccnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccnnc4)nc3)n12,SVUBOGNBCQPMIK-UHFFFAOYSA-N,3,1,0.302,42,339,459.473,3.776,6,0.38,0.65,1.0,0.2288225618531972,0.07795901583167707,0.5166284010691522,0.4356709615516414,0.314770235076417
EOS-3-26178,Cc1ncc(Cl)nc1-c1cnnc(COc2cncc3nnc(-c4cncn4C)n23)c1,NDUQZTQOHJUJKV-UHFFFAOYSA-N,3,1,0.396,92,828,434.851,2.313,5,0.41,0.6,0.812,0.15932766774038792,0.18899492838050852,0.08946439586046193,0.09613803029264616,0.13348125556850113
EOS-3-26179,C#Cc1ncc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4F)n23)cn1,ZDAYRICXGSRBGI-UHFFFAOYSA-N,3,1,0.433,51,969,426.415,3.203,5,0.407,0.69,1.0,0.5862346652045781,0.607335001028031,0.4279949969159071,0.3336131862106778,0.4887944623397985
EOS-3-26180,Cn1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1-c1cnco1,BQYFEESYPXMZKN-UHFFFAOYSA-N,3,1,0.455,95,998,425.811,3.551,5,0.424,0.68,0.96,0.4505602768830101,0.3770046604071003,0.6171526968679323,0.6456462888081694,0.5225909807415531
EOS-3-26181,Cn1nncc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(N)=O)nn4)n23)c1,QTHPQRYDAVXSTR-UHFFFAOYSA-N,3,1,0.412,53,587,429.404,0.45,5,0.4,0.62,0.998,0.15933623466520458,0.05198409978754027,0.019412651634569254,0.009200877253101227,0.05998346583510383
EOS-3-26182,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4ncc(C(F)(F)F)nn4)n23)nc1,GKZONMXJPDBLBG-UHFFFAOYSA-N,3,1,0.307,33,432,479.386,1.874,5,0.405,0.68,0.638,0.22883112877801384,0.222457336714413,0.2809008978137208,0.17120999246110616,0.22584983894181343
EOS-3-26183,Cn1c(Cc2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(C(F)(F)F)cn3)n12,HDHRBABMBPBIHV-UHFFFAOYSA-N,3,1,0.307,22,315,470.846,4.245,5,0.39,0.79,0.985,0.110042149270098,0.29427386745253925,0.8352152011513947,0.8581402919607978,0.5244178774587075
EOS-3-26184,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4cccnc4)ccn3)n12,RFBQTBSPRVYAEO-UHFFFAOYSA-N,3,1,0.467,18,840,413.416,3.404,5,0.421,0.83,1.0,0.7222859982180796,0.6401291892262353,0.5954098416832294,0.5859690905352615,0.6359485299157015
EOS-3-26185,Cc1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4OCc4cccc(CO)c4)n23)cn1,HVOJNXXICGSBLK-UHFFFAOYSA-N,3,1,0.364,62,586,457.921,4.886,5,0.391,0.81,1.0,0.43873792063600847,0.5449592214378727,0.8987989171407031,0.8630148721814818,0.6863777328490165
EOS-3-26187,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)cn2)cn1,XIPXJPYJEVRROD-UHFFFAOYSA-N,3,1,0.312,42,392,447.437,3.906,6,0.4,0.63,0.945,0.2662857240764855,0.3623552189705983,0.4779230347474471,0.49434582962099927,0.40022745185388253
EOS-3-26188,Cn1cc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,ANDXGTQIADYWOA-UHFFFAOYSA-N,3,1,0.549,36,32,423.889,3.881,5,0.426,0.69,1.0,0.5606966623260914,0.7545490370776506,0.4538328421629772,0.5075388938386677,0.5691543588513467
EOS-3-26189,COc1cc(-c2nnc3cncc(OCCc4ccnc(C)n4)n23)ccc1-c1ncnn1C,REXJLXRAWVVSNY-UHFFFAOYSA-N,3,1,0.489,15,771,443.471,2.315,5,0.373,0.64,1.0,0.39617743814680284,0.15219998629292028,0.08192550202179426,0.035492769515454735,0.16644892399424305
EOS-3-26190,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccn(CC5CCC(=O)C5C)n4)n23)cc1,XLMVXWJZBLIHPL-UHFFFAOYSA-N,3,1,0.358,63,334,443.511,2.553,5,0.491,0.54,1.0,0.11284353368514838,0.04839455828935645,0.04613289013775615,0.05722705777534096,0.06614950997190049
EOS-3-26191,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2)cn1,DWTXCPIHYWVCSG-UHFFFAOYSA-N,3,1,0.376,51,48,431.847,2.974,5,0.413,0.58,1.0,0.5349873209512713,0.5593944897539579,0.18822390514700843,0.18758138578575834,0.367546775409499
EOS-3-26192,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)n1,ILBWXWZIWZCIRI-UHFFFAOYSA-N,3,1,0.529,92,185,436.386,2.288,5,0.394,0.65,0.997,0.46190288534027824,0.3956034541840861,0.3099256390925913,0.23971969021999862,0.3517879172092385
EOS-3-26193,Cc1cncc(-c2nc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)cnc2Cl)c1,ZSDZEIIRGVQWEY-UHFFFAOYSA-N,3,1,0.283,50,845,450.84,4.605,5,0.394,0.73,0.949,0.29062435748063875,0.4591957370982112,0.7730364608320197,0.7830854636419711,0.5764855047632103
EOS-3-26194,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cn2)cn1,RYZZOOFFGBUASO-UHFFFAOYSA-N,3,1,0.511,65,981,420.433,2.86,5,0.413,0.71,1.0,0.6674576793914057,0.7758549790967034,0.21260537317524503,0.2135905695291618,0.467377150298129
EOS-3-26195,Fc1ccc(-c2cnncc2-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1,YAGLLMLPIGELQI-UHFFFAOYSA-N,3,1,0.351,42,608,447.437,3.906,6,0.375,0.64,1.0,0.3142605030498252,0.3909344801590021,0.637739017202385,0.6338410664108012,0.4941937667055034
EOS-3-26196,Cc1ncc(-c2cc(-c3nnc4cncc(-c5cc(-c6nc[nH]n6)ccc5F)n34)cc(F)n2)cn1,NWEHHIGTEIRKFK-UHFFFAOYSA-N,3,1,0.3,42,478,468.431,3.682,6,0.389,0.7,1.0,0.31678774587074227,0.3909430470838188,0.605193269823864,0.5830220683983277,0.47398653279418823
EOS-3-26197,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)ccn1,QEQPVGRZUJLCRD-UHFFFAOYSA-N,3,1,0.631,27,996,465.395,3.963,5,0.333,0.77,1.0,0.8791035569871839,0.9348999383181413,0.8881844972928518,0.8383935302583785,0.8851453807141388
EOS-3-26198,c1cc(-c2cnco2)cc(COc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)n1,UGDLOYFARVOILY-UHFFFAOYSA-N,3,1,0.484,80,200,439.395,2.865,6,0.378,0.66,1.0,0.355116167500514,0.3142005345761086,0.21261394010006168,0.16854567884312247,0.26261908025495173
EOS-3-26199,Fc1ncccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)nn1,ZBKHEQYNGARHQM-UHFFFAOYSA-N,3,1,0.325,42,620,425.387,3.228,6,0.396,0.67,1.0,0.039322184908505246,0.16379103556987185,0.4207473785210061,0.45453532999794394,0.26959898224933176
EOS-3-26200,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4csc(-c5cccnc5)n4)n23)cc1,HPDAYJYVKQMMLS-UHFFFAOYSA-N,3,1,0.301,38,787,436.504,4.377,6,0.408,0.72,1.0,0.04653553560413954,0.07462648207799329,0.36561921732574876,0.3593482283599479,0.2115323658419574
EOS-3-26201,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc(CO)n1,LIZKZUQFZSNKFC-UHFFFAOYSA-N,3,1,0.506,65,359,428.456,2.096,5,0.419,0.66,1.0,0.3597508738263313,0.15611507093413748,0.24810670961551642,0.17653005277225686,0.2351256767870605
EOS-3-26202,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c2)cn1,FSDPOCDJXXMKAO-UHFFFAOYSA-N,3,1,0.477,97,91,450.289,4.529,5,0.364,0.76,1.0,0.5141182920978685,0.6451751079432527,0.732540607223631,0.7968867795216229,0.6721801966965938
EOS-3-26203,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5nccn5C)cc(Cl)c4F)n23)cn1,YABKOKWJOQYONA-UHFFFAOYSA-N,3,1,0.451,7,85,450.865,3.662,5,0.403,0.64,1.0,0.5892159550407786,0.6073435679528476,0.43180727845932426,0.4197364813926393,0.5120258207113975
EOS-3-26204,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nn2)no1,CKJBGNFGNKTCNL-UHFFFAOYSA-N,3,1,0.556,36,404,421.808,2.567,5,0.417,0.69,1.0,0.6580426290178878,0.7966469056267562,0.051307312727023505,0.10443081351518059,0.40260691522171205
EOS-3-26205,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cc2F)n[nH]1,IYDHQACLTVHXTM-UHFFFAOYSA-N,3,1,0.494,47,164,454.828,3.79,5,0.402,0.68,1.0,0.857514906449181,0.8088633404153245,0.7273233500102803,0.7271948461380303,0.7802241107532041
EOS-3-26206,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)cn2)c1,RQQJNRLLBNHIHC-UHFFFAOYSA-N,3,1,0.474,65,779,433.863,2.652,5,0.402,0.63,1.0,0.545207662257556,0.6893633061476252,0.18504557604002467,0.2135991364539785,0.40830392022479606
EOS-3-26207,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nn2C)cn1,NWDJMMHHSJAZAK-UHFFFAOYSA-N,3,1,0.39,31,602,448.878,2.355,5,0.385,0.65,0.986,0.3167963127955589,0.28886813789322185,0.06897231169899253,0.07205640463299294,0.18667329175519154
EOS-3-26208,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)cc4F)n23)n1,DLERHCCYQBAQDO-UHFFFAOYSA-N,3,1,0.506,20,353,430.447,3.051,5,0.408,0.65,1.0,0.7343567952847646,0.6795199095332739,0.28090946473853745,0.2309128915084641,0.48142476526626005
EOS-3-26209,CC(O)(F)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)cc4F)n23)cn1,UWIAFTOLLUGKSX-UHFFFAOYSA-N,3,1,0.36,85,290,445.433,3.508,5,0.442,0.59,0.806,0.42273490507847306,0.5042149270098005,0.9236858337331232,0.8477229113837297,0.6745896443012815
EOS-3-26210,Cn1c(F)cnc1-c1cccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,ASGKBWOBZAGZNV-UHFFFAOYSA-N,3,1,0.549,43,630,436.397,4.188,5,0.413,0.66,1.0,0.7284541840860804,0.722662942910013,0.9010006168185868,0.8838239325611679,0.808985419093962
EOS-3-26211,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)c(Cl)c4)n23)cn1,QHIWICIOPZVZFP-UHFFFAOYSA-N,3,1,0.506,36,895,469.843,3.547,5,0.371,0.71,1.0,0.5832191076691111,0.664767664998972,0.6552241107532041,0.6567747241450209,0.639996401891577
EOS-3-26212,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-n5ccccc5=O)n4)n23)c(F)c1,XJXBEBHBISLRQK-UHFFFAOYSA-N,3,1,0.297,3,298,465.452,2.939,6,0.394,0.64,0.964,0.11840346789116579,0.28359947913097117,0.3394729627852786,0.3660561304913988,0.27688301007470356
EOS-3-26213,Fc1ccc(-c2nnc3cncc(OCc4csc(-c5cnccn5)n4)n23)c(F)c1,ZBBILCZCBASMLI-UHFFFAOYSA-N,3,1,0.529,73,540,423.408,3.562,5,0.427,0.74,1.0,0.5921629771777123,0.7674165581522857,0.4815896785689809,0.5209546981015695,0.5905309780001371
EOS-3-26214,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)cc1F,LCOAIWHKJOBLJF-UHFFFAOYSA-N,3,1,0.488,57,560,440.413,4.582,5,0.397,0.73,1.0,0.8141491330272086,0.7545576040024673,0.9544068261256939,0.9514683709135768,0.8686454835172367
EOS-3-26215,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ncnn4C)n23)cn1,HUTTVJBOEQGGOA-UHFFFAOYSA-N,3,1,0.404,7,185,443.431,0.71,5,0.397,0.62,1.0,0.28503015557535466,0.15612363785895414,0.008429854019601123,0.0020903296552669455,0.11291849427729422
EOS-3-26216,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nn5)n34)cc2)n[nH]1,KPXJWFOZKIESEI-UHFFFAOYSA-N,3,1,0.279,98,63,436.443,2.137,6,0.44,0.59,0.989,0.09522136933726269,0.08826502638612843,0.04949112466588993,0.05437427181139058,0.07183794805016791
EOS-3-26218,Cc1nc(-c2cnc(C)nc2C)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,VYXFOIOJOKXEGG-UHFFFAOYSA-N,3,1,0.443,31,851,439.483,2.98,5,0.393,0.63,1.0,0.43641628401069155,0.12682475498595025,0.07538037146186005,0.04250908094030567,0.1702826228497019
EOS-3-26219,Cn1ccnc1-c1cc(Cl)nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c1,USIDPSQXZAPZQF-UHFFFAOYSA-N,3,1,0.439,18,814,450.865,3.396,5,0.366,0.68,0.996,0.6343208142005345,0.5129874580220684,0.3882787334658351,0.4324754985950243,0.4920156260708656
EOS-3-26220,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nnc2Cl)nn1,XWGYDMKABQKHDJ-UHFFFAOYSA-N,3,1,0.455,53,785,445.874,3.017,5,0.388,0.61,0.999,0.6460232335001028,0.689371873072442,0.19153930505105887,0.2220289904735796,0.43724085052429573
EOS-3-26221,COc1cc(-c2ccnn2C)ccc1-c1nnc2cncc(-c3nc(-c4ccccc4)no3)n12,ASKGUAAQTDUUOD-UHFFFAOYSA-N,3,1,0.36,30,203,450.462,3.917,6,0.389,0.71,1.0,0.2823058734836543,0.11037625933794805,0.2809180316633541,0.2309214584332808,0.22613040572955934
EOS-3-26222,c1ccc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)nc2)cc1,AUQOOJOSGAEQAJ-UHFFFAOYSA-N,3,1,0.288,30,737,428.459,4.372,6,0.411,0.7,1.0,0.07107120827907615,0.04840312521417312,0.3546963881844973,0.48827187992598176,0.24061065040093207
EOS-3-26223,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cccc(C#N)n4)n23)cn1,GUUIRQDWBMPULA-UHFFFAOYSA-N,3,1,0.441,92,464,423.44,2.741,5,0.423,0.69,1.0,0.35760914262216437,0.30912891508464124,0.2883798231786718,0.20141696936467685,0.28913371256253856
EOS-3-26224,Cc1nc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1ncccn1,RKAQBCDECJHHEG-UHFFFAOYSA-N,3,1,0.419,46,242,448.849,3.718,5,0.4,0.64,1.0,0.6768213282160236,0.6502809951339867,0.3809368788979508,0.410175793297238,0.5295537488862998
EOS-3-26225,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ncc(Cl)cn5)c(F)c4)n23)ccn1,DFFZRGWRJCXMLS-UHFFFAOYSA-N,3,1,0.517,73,775,448.849,3.718,5,0.4,0.64,1.0,0.8193835240901925,0.7319666232609142,0.47441916249742994,0.4761325474607635,0.625475464327325
EOS-3-26226,Cc1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cnccn5)n34)nn2)cn1,VXRAMNJVQBHKIJ-UHFFFAOYSA-N,3,1,0.225,86,953,434.427,1.989,6,0.405,0.6,0.998,0.0010108971283668015,0.0028185182646837093,0.04765780275512302,0.05299499691590707,0.026120553766020148
EOS-3-26227,CC(C)(O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)ccc5Cl)no4)n23)cc1,NJUZWGWOVDIGBQ-UHFFFAOYSA-N,3,1,0.358,96,837,450.861,4.528,5,0.429,0.76,1.0,0.46915050373517925,0.6073521348776643,0.8903519292714687,0.8597765746007813,0.7066577856212733
EOS-3-26228,Cc1cccc(-c2nc(C)sc2-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)n1,XNDCFRNAGPZNKK-UHFFFAOYSA-N,3,1,0.28,52,336,468.546,3.881,6,0.417,0.69,0.675,0.04518196148310603,0.07463504900280996,0.015386196970735384,0.021374477417586184,0.039144421218559385
EOS-3-26229,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,JWPMFQVUISEHEH-UHFFFAOYSA-N,3,1,0.516,15,771,446.446,2.751,5,0.376,0.64,1.0,0.5950757316153793,0.4459855390309095,0.377321636625317,0.29011890891645536,0.42712545404701524
EOS-3-26230,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cnn2)nn1,WMMYXDKWOPFACD-UHFFFAOYSA-N,3,1,0.307,98,42,423.4,2.094,6,0.414,0.64,1.0,0.06692481666780892,0.05199266671235693,0.11480535946816531,0.1227126310739497,0.08910886848057022
EOS-3-26231,Cn1nccc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,XRAISASIOQHBDX-UHFFFAOYSA-N,3,1,0.541,36,208,436.838,3.353,5,0.417,0.61,1.0,0.46191145226509495,0.5085155232677678,0.570094578849976,0.5830306353231444,0.5308880474264958
EOS-3-26232,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3nccc(-c4nnco4)n3)n12,WNVRVYACFVLOPM-UHFFFAOYSA-N,3,1,0.477,16,335,420.82,3.172,5,0.422,0.72,0.999,0.5977486121581796,0.7272719484613803,0.20905009937632787,0.25738468919196766,0.4478638372969639
EOS-3-26233,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)nc(C)n2)nc1,GMFDBMDXNFJMFW-UHFFFAOYSA-N,3,1,0.424,31,851,441.499,2.924,5,0.396,0.65,1.0,0.20655712425467754,0.044856418340072646,0.0494996915907066,0.026523199232403535,0.08185910835446508
EOS-3-26234,Fc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)s1,CHIZHGWFEVDUEC-UHFFFAOYSA-N,3,1,0.356,38,818,442.439,4.166,6,0.4,0.67,1.0,0.29336577342197245,0.37200157631416625,0.39939003495305325,0.41338839010348843,0.3695364436981701
EOS-3-26236,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCCCC5O)o4)n23)cc1,LBCJMWNENYJCLD-UHFFFAOYSA-N,3,1,0.419,0,334,446.467,2.018,5,0.478,0.65,0.999,0.09060379686107875,0.0287420327599205,0.009372215749434584,0.014503803714618601,0.035805462271263105
EOS-3-26237,Cn1ncnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,FJJSBHMAFUEKLV-UHFFFAOYSA-N,3,1,0.402,46,62,419.836,2.609,5,0.427,0.67,1.0,0.5141268590226852,0.5042234939346172,0.22646665752861353,0.2634929065862518,0.3770774792680419
EOS-3-26238,Cc1cnc(CCOc2cncc3nnc(-c4cncc(-c5cncc(CO)c5)c4)n23)cn1,AESCZSPXZAXLQK-UHFFFAOYSA-N,3,1,0.433,65,822,440.467,2.461,5,0.406,0.65,1.0,0.44111952573504215,0.32857583441847715,0.3062589952710575,0.23093002535809745,0.32672109519566855
EOS-3-26239,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)ccc2F)n(C)n1,AWISZZPVTGFRAZ-UHFFFAOYSA-N,3,1,0.5,34,10,452.4,3.287,5,0.404,0.63,1.0,0.5298728668357207,0.6401377561510521,0.39572339113151944,0.4483157425810431,0.5035124391748338
EOS-3-26240,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)cc5F)n34)cn2)n1,HBJOAXUQYRFWIP-UHFFFAOYSA-N,3,1,0.343,3,150,449.453,3.944,6,0.402,0.63,1.0,0.010014735110684668,0.22768316085258036,0.5987937769858132,0.5859776574600781,0.3556173326022891
EOS-3-26241,Cn1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)n1,MDJUQQPPULUCHM-UHFFFAOYSA-N,3,1,0.571,4,506,417.86,3.819,5,0.432,0.72,1.0,0.352666027002947,0.494919813583716,0.5891131519429785,0.5890103488451786,0.506427335343705
EOS-3-26242,Cc1ncc(-c2ccccn2)c(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,IINRNLOXBPAFKV-UHFFFAOYSA-N,3,1,0.44,33,53,479.504,2.818,6,0.374,0.75,1.0,0.25818998012473443,0.10057569734768007,0.03579261188403811,0.03641799739565486,0.10774407168802687
EOS-3-26243,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)c5F)cn4)n23)cn1,RGVSHYNBOMFDKX-UHFFFAOYSA-N,3,1,0.461,7,85,448.849,3.718,5,0.4,0.65,1.0,0.7840706599958879,0.8009989034336235,0.6171612637927489,0.5980398876019464,0.7000676787060516
EOS-3-26244,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccccn5)s4)n23)nc1,CSVINCJWRNPRAG-UHFFFAOYSA-N,3,1,0.427,85,776,413.466,3.0,5,0.474,0.74,1.0,0.07107977520389282,0.07464361592762662,0.14388150229593585,0.1291206908368172,0.10468139606606813
EOS-3-26245,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)cnn2)nn1,RWPMMHKLLKSKGY-UHFFFAOYSA-N,3,1,0.639,19,785,428.431,3.107,5,0.406,0.63,1.0,0.7284627510108971,0.754566170927284,0.38094544582276746,0.38504900280995136,0.5622558426427249
EOS-3-26246,Cn1nnc(-c2ccc(Cl)c(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)c2)n1,CHWSHLZIDHIKMR-UHFFFAOYSA-N,3,1,0.317,39,972,467.884,3.154,6,0.384,0.66,0.959,0.107566307998081,0.3194520594887259,0.1177609485299157,0.21636625316976218,0.1902863922966212
EOS-3-26247,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,VPXFDKVGMXONBZ-UHFFFAOYSA-N,3,1,0.506,58,28,447.861,4.057,5,0.362,0.72,1.0,0.922503598108423,0.9215698033034062,0.5923171818244123,0.6369251593448015,0.7683289356452607
EOS-3-26248,Fc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)c2)c1,BVEYKNKGIDNPPM-UHFFFAOYSA-N,3,1,0.484,11,275,447.861,4.057,5,0.362,0.72,1.0,0.8939586046192859,0.8386762387773284,0.6110102117743814,0.6540076074292372,0.7494131656500582
EOS-3-26250,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)nc2C)n1,DRKYFKAGLAGJQF-UHFFFAOYSA-N,3,1,0.56,46,294,462.876,4.027,5,0.385,0.68,0.999,0.8167192104722089,0.7674251250771024,0.4885460215201151,0.5075474607634843,0.6450594544582277
EOS-3-26251,COCc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)nc1,LOGQXGSAJAHKGJ-UHFFFAOYSA-N,3,1,0.414,92,205,469.465,1.863,5,0.356,0.7,0.993,0.3266996778836269,0.1231666780892331,0.16248029607292166,0.0830049345486944,0.173837896648619
EOS-3-26252,COc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCc3coc(C)n3)n12,ISJZFFAVDFKAHD-UHFFFAOYSA-N,3,1,0.494,4,710,433.403,3.271,5,0.398,0.68,1.0,0.5719878692344595,0.49002809951339865,0.21951031457747927,0.14251936125008566,0.35601141114385576
EOS-3-26253,N#Cc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cc1F,HMCPZKYKINOZMX-UHFFFAOYSA-N,3,1,0.284,39,972,462.412,2.297,6,0.382,0.62,0.998,0.012310670961551641,0.10058426427249674,0.3620725104516483,0.41974504831745596,0.22367812350078814
EOS-3-26254,Fc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cn3)n12,CLBNLACQLCNCQI-UHFFFAOYSA-N,3,1,0.312,42,171,435.422,4.709,6,0.396,0.74,0.281,0.2689157699952025,0.31420910150092524,0.7866407374408882,0.7946765129189226,0.5411105304639847
EOS-3-26255,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)cn2)nc1,GYCJIIOMEAVWOS-UHFFFAOYSA-N,3,1,0.484,73,930,467.827,2.986,5,0.371,0.67,1.0,0.8463265026386129,0.8916541018436023,0.34302823658419573,0.4197536152422726,0.6251906140771709
EOS-3-26256,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1-c1cncnc1,QEANXUMXLWZOQU-UHFFFAOYSA-N,3,1,0.64,84,657,461.432,3.552,5,0.363,0.72,1.0,0.8345041463916113,0.7365242272633815,0.7588239325611679,0.6596532108834213,0.7473763792748955
EOS-3-26257,FCc1cncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ncn2)c1,OQRQKXPKRJLKGM-UHFFFAOYSA-N,3,1,0.433,46,238,448.849,3.74,5,0.387,0.63,0.688,0.48173531629086425,0.5174079912274689,0.5828507299019944,0.6010211774381468,0.5457538037146186
EOS-3-26258,Cc1noc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)n1,KHHFGLQZWSUCKR-UHFFFAOYSA-N,3,1,0.484,37,482,452.837,3.354,5,0.382,0.67,1.0,0.7038414090877938,0.6401463230758687,0.24811527654033308,0.290127475841272,0.4705576211363169
EOS-3-26259,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(C)n4)n23)cc1,IVKVOCGJPYQDBR-UHFFFAOYSA-N,3,1,0.517,15,734,427.472,2.79,5,0.39,0.64,1.0,0.577547803440477,0.35288020012336374,0.06480878623809197,0.04507059146048934,0.2600768453156055
EOS-3-26260,Fc1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1cn[nH]c1,LJIFFSUMGLNWSF-UHFFFAOYSA-N,3,1,0.452,46,338,422.811,3.343,5,0.433,0.66,0.998,0.5832276745939278,0.6169984922212323,0.6286580768967172,0.6714412994311562,0.6250813857857583
EOS-3-26261,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4F)n23)n1,GSWVTVBOCCHFHO-UHFFFAOYSA-N,3,1,0.495,37,79,431.435,2.446,5,0.403,0.64,1.0,0.5067164690562675,0.504232060859434,0.20558049482557741,0.17653861969707355,0.34826691110958813
EOS-3-26263,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c(Cl)c1,XGXWPITWEKGQCE-UHFFFAOYSA-N,3,1,0.566,4,353,452.305,4.473,5,0.391,0.72,1.0,0.5192156123637859,0.6696936467685559,0.7014598039887602,0.7560910835446508,0.6616150366664382
EOS-3-26264,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,RIKNNBQREHLKPR-UHFFFAOYSA-N,3,1,0.326,9,7,448.45,3.104,6,0.422,0.59,1.0,0.22883969570283053,0.06372935371119183,0.4098845178534713,0.3304348571036941,0.25822210609279694
EOS-3-26265,Fc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1-c1ncccn1,XXQSFAIMNGOTTK-UHFFFAOYSA-N,3,1,0.506,37,325,466.839,3.591,5,0.374,0.67,1.0,0.9225121650332396,0.9301709958193407,0.559908505242958,0.6249571653759166,0.7593872078678638
EOS-3-26266,CC(C)n1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,JPXOVHGQBMHTPX-UHFFFAOYSA-N,3,1,0.575,15,931,426.484,3.647,5,0.392,0.72,1.0,0.3896066068124186,0.1890034953053252,0.19154787197587553,0.12272119799876637,0.2232197930230964
EOS-3-26267,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)cn1,SSUIPGOFEWUHHI-UHFFFAOYSA-N,3,1,0.506,59,577,449.396,3.948,5,0.375,0.69,1.0,0.8903690631211021,0.8386848057021452,0.8929391405661024,0.8423171818244123,0.8660775478034405
EOS-3-26268,COc1nc(-c2cncn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NCC#N)cc3)n12,PBJAJHOOIZKXMS-UHFFFAOYSA-N,3,1,0.321,52,124,465.477,2.516,5,0.378,0.68,0.999,0.30113597423069016,0.12317524501404975,0.2846789116578713,0.14028339387293537,0.21231838119388663
EOS-3-26269,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3nncnc3-c3ccc(F)cc3)n12,LOPUHLIQIITDFD-UHFFFAOYSA-N,3,1,0.295,3,498,467.424,3.508,6,0.371,0.7,0.998,0.5373603591254883,0.5129960249468851,0.3882873003906518,0.4006322390514701,0.4598189808786238
EOS-3-26270,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cnc1Cl,LYOPLIPJHNVYAO-UHFFFAOYSA-N,3,1,0.543,16,540,433.834,4.015,5,0.386,0.68,1.0,0.9389435268316085,0.8669556575971489,0.8095315605510246,0.7968953464464396,0.8530815228565554
EOS-3-26271,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncon6)n5)n34)cn2)nc1,HNUALSXEMOQVNL-UHFFFAOYSA-N,3,1,0.31,76,368,419.408,3.36,6,0.423,0.69,1.0,0.16754334863957235,0.129977383318484,0.18505414296484135,0.21360770337879514,0.1740456445754232
EOS-3-26272,FCc1cncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)nn6)c5)n34)cn2)c1,MEMQEWWOOYIMOE-UHFFFAOYSA-N,3,1,0.305,70,151,468.431,3.5,6,0.378,0.67,0.167,0.015471866218902062,0.14449832088273593,0.5127904187512851,0.5144866698649853,0.29681181892947706
EOS-3-26273,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cn1,YBYIUGIDUXUVQP-UHFFFAOYSA-N,3,1,0.315,38,57,420.436,3.909,6,0.426,0.69,1.0,0.1843173874306079,0.08153142348022754,0.4065862517990542,0.3755311493386334,0.26199155301213073
EOS-3-26274,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5cnc(-c6cccnn6)cn5)n34)cn2)nn1,RCJCZBKAKJBSGF-UHFFFAOYSA-N,3,1,0.267,86,944,450.401,2.091,6,0.389,0.58,0.977,0.2121256253855116,0.22769172777739702,0.12342368583373313,0.1630542800356384,0.18157382975807002
EOS-3-26275,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cccc(Cl)c4)n23)cc1,UCAKYXPLRAGDOI-UHFFFAOYSA-N,3,1,0.361,3,42,465.908,4.364,6,0.381,0.74,1.0,0.20656569117949422,0.23745802206839833,0.4606949489411281,0.5638835583578918,0.3671505551367281
EOS-3-26276,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)no1,RPAQTPFYGKEYSC-UHFFFAOYSA-N,3,1,0.5,75,819,434.847,3.215,5,0.371,0.71,1.0,0.5580152148584744,0.5683554931121925,0.12889795079158387,0.15511274073058734,0.3525953498732095
EOS-3-26277,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cn1,PBBFFCMCBHEWRM-UHFFFAOYSA-N,3,1,0.393,6,870,448.45,3.231,6,0.391,0.64,1.0,0.382787334658351,0.24794393804399972,0.21262250702487834,0.19575423206085943,0.2597770029470221
EOS-3-26278,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)s4)n23)cc1,VLUXRNILRJKKKL-UHFFFAOYSA-N,3,1,0.343,38,983,436.504,4.377,6,0.408,0.7,1.0,0.14840483859913645,0.12318381193886642,0.3656277842505654,0.34976183949009665,0.24674456856966623
EOS-3-26279,Clc1cncc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)c1,NNFPHKQTVVHZIX-UHFFFAOYSA-N,3,1,0.355,93,550,450.893,4.754,6,0.385,0.76,1.0,0.0544770749091906,0.20724247824001096,0.582859296826811,0.7140446165444452,0.3896558666301144
EOS-3-26280,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(C#N)cc6)cc5)n34)nn2)cn1,WUUJSRQQZNDVEQ-UHFFFAOYSA-N,3,1,0.419,93,74,455.485,4.187,6,0.392,0.69,1.0,0.12363785895414982,0.19337262696182578,0.7065399904050442,0.7028476458090603,0.43159953053252
EOS-3-26281,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cncs1,KPHILXRITYZERT-UHFFFAOYSA-N,3,1,0.529,20,846,431.481,3.335,5,0.387,0.69,1.0,0.4817438832156809,0.3862655061339182,0.27733705708998696,0.18758995271057502,0.33323409978754026
EOS-3-26282,Cc1cnc(CCOc2cncc3nnc(-c4cc(F)cc(-c5cnc(C)cn5)c4)n23)cn1,SAOOFVHJUKPZQB-UHFFFAOYSA-N,3,1,0.512,20,720,442.458,3.416,5,0.394,0.63,1.0,0.6674662463162223,0.6795284764580906,0.3357120827907614,0.27512679048728667,0.48945839901309024
EOS-3-26283,Cc1cc(C#N)ccc1-c1nnc2cncc(-c3ccc(-c4cc(F)ccn4)cc3F)n12,FJFQOCUUMYYOAB-UHFFFAOYSA-N,3,1,0.361,96,3,424.414,4.979,5,0.408,0.82,1.0,0.40250839558632034,0.5449677883626893,0.9609433897608115,0.962759577821945,0.7177947878829416
EOS-3-26284,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccnc(Cl)c5)n4C)n23)cn1,MGHHWVUXXPYFLY-UHFFFAOYSA-N,3,1,0.317,8,754,470.888,2.493,6,0.356,0.7,0.925,0.1512918922623535,0.20265060653827702,0.042860324857789046,0.0882735933109451,0.12126910424234118
EOS-3-26285,Cc1nnc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5F)n34)c2)o1,QDSXJTVTMUWOAB-UHFFFAOYSA-N,3,1,0.433,13,995,441.785,4.269,5,0.381,0.73,1.0,0.6827325063395243,0.6842831197313413,0.77524672743472,0.7760006168185868,0.7295657425810431
EOS-3-26286,Fc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)ccn2)c1,LSLBZEABLUPVPN-UHFFFAOYSA-N,3,1,0.506,34,389,451.824,4.154,5,0.396,0.67,1.0,0.9051812761291207,0.9554091563292441,0.8498218079638133,0.8768504557604002,0.8968156740456446
EOS-3-26287,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)c(F)c1,CPNIWHHKZHHQPK-UHFFFAOYSA-N,3,1,0.461,59,511,451.824,4.154,5,0.396,0.67,1.0,0.7284713179357138,0.7457765060653828,0.8759423617298334,0.9082225344390378,0.814603180042492
EOS-3-26288,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(F)cn5)n4)n23)o1,GTMCNDRNBCWMFJ-UHFFFAOYSA-N,3,1,0.379,33,53,472.44,2.847,6,0.379,0.71,0.846,0.2766688369542869,0.10384826262764718,0.08193406894661093,0.09819409224864642,0.14016131519429786
EOS-3-26289,Cc1nccc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)cn2)n1,LHFXTZAMJDCSKB-UHFFFAOYSA-N,3,1,0.277,10,356,451.429,2.734,6,0.398,0.59,0.956,0.0011651017750668221,0.06735316290864231,0.17539065177164007,0.2397282571448153,0.12090929340004111
EOS-3-26290,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6cccn6)cc5)n34)cc2)n1,FKDGTIXRSKSTGZ-UHFFFAOYSA-N,3,1,0.311,9,98,420.436,4.002,6,0.425,0.75,1.0,0.0767767802069769,0.07465218285244328,0.3846549242683846,0.3559471592077308,0.2230077616338839
EOS-3-26291,CCn1ncnc1-c1cc(-c2nnc3cncc(OCc4ccnc(C(F)F)c4)n23)ccn1,IQTGVGNNLLWFDO-UHFFFAOYSA-N,3,1,0.436,7,45,449.425,3.376,5,0.372,0.68,0.997,0.3366201768213282,0.2631159618943184,0.3694400657939826,0.2929973956548557,0.31554340004112125
EOS-3-26292,Cc1cnc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)c1,MFTIXYODCMPTCD-UHFFFAOYSA-N,3,1,0.477,16,325,447.861,4.323,5,0.37,0.75,1.0,0.9199163868137893,0.8833698855458845,0.7167603317113289,0.702856212733877,0.8057257042012199
EOS-3-26293,Cn1cnnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,JDXSNOBJJDOTPT-UHFFFAOYSA-N,3,1,0.494,92,69,435.398,2.893,5,0.401,0.62,1.0,0.5921715441025289,0.4549122746898773,0.5366578712905216,0.4260417380577068,0.5024458570351586
EOS-3-26294,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)cnc1F,STMDIERAFXMJGO-UHFFFAOYSA-N,3,1,0.433,2,980,438.373,2.978,5,0.389,0.64,1.0,0.6827410732643411,0.5835275169625112,0.7800270714824207,0.7354362278116647,0.6954329723802344
EOS-3-26295,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)nc2)n1C,VYFWTUIDJUQSGW-UHFFFAOYSA-N,3,1,0.33,6,318,450.466,3.473,6,0.423,0.66,1.0,0.3782125968062504,0.2990970461243232,0.24101329586731546,0.15797409361935438,0.26907425810431085
EOS-3-26296,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)cc2F)nc1,UJRWTLCLOBSIRG-UHFFFAOYSA-N,3,1,0.551,88,141,448.408,4.287,5,0.386,0.71,1.0,0.9130542800356384,0.9079398259200877,0.8589284490439312,0.8614985264889315,0.8853552703721472
EOS-3-26297,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCCc4ccccn4)n23)cc(=O)[nH]1,XRVGCBWXMAUSAE-UHFFFAOYSA-N,3,1,0.449,15,796,428.456,2.287,5,0.395,0.66,0.997,0.3142690699746419,0.07466074977725995,0.09619799876636283,0.08828216023576177,0.1433524946885066
EOS-3-26298,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)s5)n34)ccc2F)no1,YOVNINJGPXNGNQ-UHFFFAOYSA-N,3,1,0.413,46,128,443.851,3.978,5,0.401,0.74,1.0,0.4965817969981495,0.49492838050853266,0.18823247207182509,0.26649133027208555,0.3615584949626482
EOS-3-26299,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)cn1,JBAFAXICJQPEDS-UHFFFAOYSA-N,3,1,0.714,88,781,450.424,4.231,5,0.387,0.72,1.0,0.8091203481598246,0.7758635460215201,0.9376499211842917,0.9203190322801728,0.8607382119114523
EOS-3-26300,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)c1F,GOAYHHQNTIDTEW-UHFFFAOYSA-N,3,1,0.536,97,183,416.391,4.106,5,0.429,0.78,1.0,0.8644455486258653,0.7843191008155712,0.8917055033925022,0.8768590226852169,0.8543322938797889
EOS-3-26301,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cn(C)nn6)cn5)n34)cc2)no1,IWHVXKWLKMNKNK-UHFFFAOYSA-N,3,1,0.424,56,197,467.453,2.314,6,0.355,0.71,1.0,0.3240096634911932,0.25274998286615036,0.05694434925639093,0.0355013364402714,0.16730133301350147
EOS-3-26302,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cn2)n1,DKUZPLWXYMEORV-UHFFFAOYSA-N,3,1,0.363,10,673,448.465,4.549,6,0.393,0.71,0.241,0.007487492289767665,0.16764615173737235,0.6469398944554863,0.6456548557329861,0.3669320985539031
EOS-3-26303,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5ccccc5)nc4)n23)cc1F,XAWAJKDOEJRVOA-UHFFFAOYSA-N,3,1,0.489,89,637,479.475,3.059,5,0.386,0.76,1.0,0.7523387704749503,0.49003666643821536,0.6200911520800494,0.47614111438558016,0.5846519258446988
EOS-3-26304,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c(F)c1,ZLHJJNOKTNURCA-UHFFFAOYSA-N,3,1,0.506,16,353,435.85,3.958,5,0.389,0.7,1.0,0.834512713316428,0.8052395312178741,0.7523216366253169,0.7406106504009321,0.7831711328901377
EOS-3-26305,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)s5)ncc4F)n23)nn1,MMPWETJOMBGFMK-UHFFFAOYSA-N,3,1,0.393,53,785,435.448,2.83,5,0.411,0.61,1.0,0.5192241792886025,0.5085240901925845,0.07967240079501062,0.0813001165101775,0.2971801966965938
EOS-3-26306,CCc1nn(C)cc1-c1ccnc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)c1,BNMXXFRRDPTWDK-UHFFFAOYSA-N,3,1,0.391,7,544,427.472,2.827,5,0.407,0.67,1.0,0.10271742855184703,0.044864985264889315,0.08464121718867795,0.042517647865122334,0.06868531971763416
EOS-3-26307,Fc1cc(-c2cscn2)ccc1-c1cncc2nnc(-c3cnc(-c4cnco4)nc3)n12,YFKWDPQXOFEZBX-UHFFFAOYSA-N,3,1,0.33,42,106,442.439,4.166,6,0.4,0.68,1.0,0.357617709546981,0.409995887876088,0.4678483311630457,0.4943543965458159,0.4324540812829826
EOS-3-26308,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5c(F)cc(F)cc5-c5cccnc5)n34)n2)n1,BPSHDXJSXBGOKX-UHFFFAOYSA-N,3,1,0.32,10,750,468.431,3.384,6,0.387,0.66,0.999,0.1756133918168734,0.2888767048180385,0.36563635117538207,0.46389041189774516,0.32350421492700976
EOS-3-26309,COc1cc(-c2ccc(C)cn2)ccc1-c1nnc2cncc(-c3nnn(-c4ccccc4)n3)n12,IGGFYANCFQMVQE-UHFFFAOYSA-N,3,1,0.327,30,158,461.489,3.813,6,0.381,0.69,1.0,0.03117503940785416,0.05972003289699129,0.22647522445343019,0.20741381673634432,0.131196028373655
EOS-3-26310,Cn1nc(-c2ccc(Cl)nc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,BEQYSCYPKIAIED-UHFFFAOYSA-N,3,1,0.333,30,945,465.908,4.364,6,0.356,0.8,0.962,0.1453550133644027,0.27340483859913645,0.2732592008772531,0.4068775272428209,0.27472414502090325
EOS-3-26311,COc1ncc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ccc(F)c(F)c1,LRVCCVDFYOEJFH-UHFFFAOYSA-N,3,1,0.556,11,275,460.444,4.157,5,0.36,0.77,1.0,0.8711705846069495,0.792911726406689,0.75,0.6714498663559728,0.7713830443424028
EOS-3-26312,CCCc1cnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nn1,WARGOMMZFHGDHL-UHFFFAOYSA-N,3,1,0.387,92,986,430.497,3.631,5,0.385,0.69,0.998,0.37113631690768284,0.3091374820094579,0.0385083270509218,0.049242683846206566,0.19200620245356728
EOS-3-26313,c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccsc6)cn5)n34)cn2)n[nH]1,UEOOGXMMQLTSLG-UHFFFAOYSA-N,3,1,0.375,80,855,454.479,3.069,6,0.403,0.63,1.0,0.4458399013090261,0.414741964224522,0.14102871633198547,0.12709032965526695,0.28217522788020016
EOS-3-26314,CCn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,MMMVAQYWXIXWBP-UHFFFAOYSA-N,3,1,0.542,36,534,432.875,3.697,5,0.403,0.66,1.0,0.5093293811253512,0.7365327941881982,0.4318158453841409,0.44497464190254266,0.5306631656500582
EOS-3-26315,N#Cc1cccc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccn2)n1,HDSSTOXYTWWUQP-UHFFFAOYSA-N,3,1,0.446,24,616,425.839,4.566,5,0.415,0.75,1.0,0.6827496401891577,0.7457850729901995,0.7822544719347543,0.8012473442533068,0.7530091323418546
EOS-3-26316,Cn1c(CO)nnc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,YHRPZXOFECDFSE-UHFFFAOYSA-N,3,1,0.523,36,404,449.862,2.102,5,0.414,0.65,1.0,0.6403090946473854,0.7587211294633678,0.09879377698581317,0.17121855938592284,0.4172606401206223
EOS-3-26317,Cn1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cn2)n1,SEKGOUWIMZCINF-UHFFFAOYSA-N,3,1,0.477,55,283,434.847,3.34,5,0.375,0.69,1.0,0.4667860324857789,0.4768264683709136,0.45002056061956003,0.3497704064149133,0.4358508669727914
EOS-3-26318,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nn5)n34)nn2)cn1,PTDIAIIROVWDLD-UHFFFAOYSA-N,3,1,0.391,53,587,420.343,1.685,5,0.414,0.64,0.717,0.5220169967788363,0.4949369474333493,0.18824103899664177,0.21361627030361183,0.35470281337810977
EOS-3-26319,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)cn1,PVSJVPHJGCGAEA-UHFFFAOYSA-N,3,1,0.517,37,832,438.423,3.0,5,0.399,0.66,1.0,0.7464447262010828,0.82450654513056,0.3582773627578644,0.3820248783496676,0.5778133781097937
EOS-3-26320,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ncc(Cl)cn4)n23)cn1,KDDVSVJWXKAEGG-UHFFFAOYSA-N,3,1,0.273,86,902,467.884,3.154,6,0.384,0.67,1.0,0.1983671441299431,0.2277002947022137,0.16889692276060586,0.22203755739839628,0.20425047974778973
EOS-3-26321,Fc1ccc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)cc2)nn1,JSKZHCDJOFIVPH-UHFFFAOYSA-N,3,1,0.36,72,476,419.811,2.817,5,0.437,0.62,1.0,0.40686896031800424,0.43284387636214106,0.3283445274484271,0.4260503049825235,0.39852691727777395
EOS-3-26322,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)nc5)n34)cc2)n1,SRLHHXLQNLMLAD-UHFFFAOYSA-N,3,1,0.299,38,727,422.412,2.699,6,0.421,0.64,1.0,0.167551915564389,0.09433897608114591,0.1438900692207525,0.152594064834487,0.13959375642519362
EOS-3-26323,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nn1,FPAOKUCGIKOIMO-UHFFFAOYSA-N,3,1,0.338,98,42,422.412,2.699,6,0.421,0.65,1.0,0.15397333972997054,0.0815399904050442,0.12056233294496607,0.12508566924816666,0.12029033308203688
EOS-3-26324,CCn1cncc1-c1cccc(-c2nnc3cncc(COC(=O)c4cccc(F)c4)n23)c1,CLQPOSNNNVKRLF-UHFFFAOYSA-N,3,1,0.419,14,18,442.454,4.171,5,0.367,0.72,1.0,0.3735864574052498,0.2682818175587691,0.5632239051470084,0.48535055856349807,0.4226106846686314
EOS-3-26325,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)cnc1Cl,FWAQEXIBMNPGTC-UHFFFAOYSA-N,3,1,0.338,96,680,421.798,4.242,5,0.405,0.73,0.924,0.34605236104447945,0.5783616612980604,0.8783753683777671,0.9070745665136043,0.6774659893084778
EOS-3-26326,Cc1ccc(-c2nnc3cncc(-c4cc(F)ccc4OCc4ccnc(Cl)c4)n23)nn1,GZSLEFHFDYTCJJ-UHFFFAOYSA-N,3,1,0.305,96,586,447.861,4.323,5,0.37,0.73,0.999,0.46454149818381196,0.5042406277842506,0.735170653142348,0.7484750873826331,0.6131069666232609
EOS-3-26327,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nc1,PRONCSAKQJLMFU-UHFFFAOYSA-N,3,1,0.489,58,578,448.849,3.452,5,0.364,0.7,1.0,0.8416832293879789,0.8317712973750943,0.5127989856761017,0.5735299157014598,0.6899458570351586
EOS-3-26328,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)c1,NYQOHDCYRCGKOR-UHFFFAOYSA-N,3,1,0.478,27,343,435.398,2.893,5,0.401,0.62,1.0,0.34832259612089644,0.36236378589541496,0.5056541703790007,0.40064080597628676,0.4042453395928997
EOS-3-26329,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)cn4)n23)cc1,HBAGQJWCGKEDCD-UHFFFAOYSA-N,3,1,0.616,51,969,420.885,4.542,5,0.415,0.78,1.0,0.8665358782811322,0.9215783702282229,0.5923257487492289,0.6567832910698376,0.7593058220821054
EOS-3-26330,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5F)[nH]4)n23)nc1,OLKFIHPDULAXKZ-UHFFFAOYSA-N,3,1,0.314,10,407,438.43,3.178,6,0.449,0.58,0.997,0.09061236378589542,0.2428637516277157,0.3247549859502433,0.385057569734768,0.2608221677746556
EOS-3-26331,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4c(F)cccc4C(F)F)n23)c(F)c1,JJCXPZAFBHTTFH-UHFFFAOYSA-N,3,1,0.329,61,917,440.364,3.865,5,0.395,0.66,0.932,0.32670824480844357,0.5174165581522857,0.8770474950311836,0.8934617229799191,0.653658505242958
EOS-3-26332,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)n6)nn5)n34)nc2)c1,FFJOSWYYUKKBTO-UHFFFAOYSA-N,3,1,0.275,10,37,454.404,3.169,6,0.374,0.66,0.998,0.02311356315536975,0.10729216640394763,0.4246538962374066,0.5007967240079501,0.2639640874511685
EOS-3-26333,Fc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cn5)n34)n2)ccn1,QPBRSBJUYSVCLD-UHFFFAOYSA-N,3,1,0.329,10,952,454.404,3.169,6,0.374,0.64,1.0,0.008695428688917825,0.1805393735864574,0.3846634911932013,0.5176821328216024,0.27289510657254473
EOS-3-26334,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)nc5)n34)cn2)nc1,VWMLBUOARCUKJD-UHFFFAOYSA-N,3,1,0.295,10,664,470.859,3.684,6,0.383,0.71,0.409,0.03241724350627099,0.22246590363922966,0.4744277294222466,0.5541258309917072,0.3208591768898636
EOS-3-26335,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)[nH]2)cn1,AZBFZSXHAOBQRS-UHFFFAOYSA-N,3,1,0.316,42,608,452.869,3.749,6,0.401,0.68,1.0,0.1816616407374409,0.3142176684257419,0.36208107737646494,0.4449832088273593,0.32573589884175175
EOS-3-26336,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncccn5)n4)n23)cc1F,MNUYLHPWTPNAOX-UHFFFAOYSA-N,3,1,0.517,4,770,442.389,3.372,5,0.407,0.61,1.0,0.8063874991433075,0.8456154478788294,0.7167688986361456,0.6973048454526763,0.7665191727777397
EOS-3-26337,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccc4F)n23)c(C)n1,NQHFKXWLHVUUNJ-UHFFFAOYSA-N,3,1,0.467,59,92,444.445,4.722,5,0.39,0.74,1.0,0.8711791515317662,0.7500942361729833,0.8095401274758413,0.7509937632787335,0.795451819614831
EOS-3-26338,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)c(C)cn2)c1,YUGKJLHHICKIQG-UHFFFAOYSA-N,3,1,0.461,16,980,444.445,4.722,5,0.39,0.74,1.0,0.7727023507641697,0.6023404838599137,0.8352237680762113,0.790153176615722,0.7501049448290042
EOS-3-26339,Cc1cc(F)ccc1-c1cc(-c2nnc3cncc(OCCc4cncnn4)n23)nn1C,JYSXVIVTBMIJOL-UHFFFAOYSA-N,3,1,0.453,95,835,431.435,2.446,5,0.403,0.65,0.975,0.3896151737372353,0.3528887670481804,0.17539921869645672,0.1957627989856761,0.27841648961688714
EOS-3-26340,Cn1cc(-c2ccccc2-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)cn1,GQVQZXUPPJROAW-UHFFFAOYSA-N,3,1,0.282,98,746,435.455,2.444,6,0.414,0.58,1.0,0.03766876841888835,0.026326159961620178,0.07538893838667672,0.09614659721746283,0.05888261599616202
EOS-3-26341,Cn1nncc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)c1,MVDRWAYNYXDCKF-UHFFFAOYSA-N,3,1,0.275,70,957,450.441,3.245,6,0.376,0.66,1.0,0.07678534713179357,0.15981598245493797,0.47443629634706325,0.4853591254883147,0.29909918785552736
EOS-3-26342,Cn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,ZUPKGMINHIMOAU-UHFFFAOYSA-N,3,1,0.347,8,899,450.441,3.245,6,0.376,0.66,1.0,0.13990644918100198,0.2784764580906038,0.18167020766225755,0.2602974436296347,0.2150876396408745
EOS-3-26343,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C#N)nn5)ccn4)n23)cn1,IKALAGIJHLWETN-UHFFFAOYSA-N,3,1,0.5,92,205,422.412,2.192,5,0.414,0.67,1.0,0.5220255637036529,0.5636608183126585,0.20188815022959358,0.16075834418477145,0.3620832191076691
EOS-3-26344,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccncc4F)n23)c(F)c1,SMMVRNIHHMJAJO-UHFFFAOYSA-N,3,1,0.273,39,972,469.419,2.779,6,0.383,0.64,0.908,0.23696970735384826,0.26312452881913506,0.2732677678020698,0.3820334452744843,0.2888488623123843
EOS-3-26345,Cc1nn(C)cc1-c1cnc(COc2cncc3nnc(-c4ccc(F)cn4)n23)nc1,WBZJIJISTDGPMT-UHFFFAOYSA-N,3,1,0.385,51,924,417.408,2.403,5,0.429,0.68,1.0,0.3782211637310671,0.35289733397299705,0.18824960592145842,0.14744534301966966,0.26670336166129804
EOS-3-26346,Cc1nn(C)cc1-c1ncc(COc2cncc3nnc(-c4cccc(F)c4)n23)s1,MVBKJZFHYMBCJN-UHFFFAOYSA-N,3,1,0.54,16,256,421.461,3.675,5,0.431,0.69,1.0,0.3576262764717977,0.4413679665547255,0.23726098279761496,0.23973682406963195,0.3189980124734425
EOS-3-26347,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(F)c4)n23)c1F,OROQHHVTKASMGO-UHFFFAOYSA-N,3,1,0.478,16,606,431.406,3.809,5,0.418,0.63,1.0,0.9069631964909876,0.7457936399150161,0.8095486944006579,0.7458193406894661,0.8020312178740319
EOS-3-26348,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)c1F,QJUZVHIUDFLAKZ-UHFFFAOYSA-N,3,1,0.43,2,422,431.406,3.809,5,0.418,0.66,1.0,0.7579072716057844,0.6401548900006854,0.7400623672126654,0.6917277773970255,0.7074630765540403
EOS-3-26350,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C#N)cn5)nc4)n23)cn1,GVOWVWCAEKPWEN-UHFFFAOYSA-N,3,1,0.31,70,968,457.461,2.977,6,0.391,0.65,1.0,0.12941196628058393,0.15220855321773696,0.33948152971009526,0.29913988074840653,0.2300604824892057
EOS-3-26352,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)cnn2)n1,BENGPDIBKWRYJW-UHFFFAOYSA-N,3,1,0.463,65,65,429.419,2.502,5,0.401,0.63,1.0,0.6888749914330752,0.6451836748680694,0.2158779384552121,0.2105321773696114,0.44011719553149203
EOS-3-26353,Fc1cnc(-c2cccnn2)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,RPONRYRPYMHNPM-UHFFFAOYSA-N,3,1,0.411,54,915,434.822,3.41,5,0.414,0.59,1.0,0.7813206771297375,0.8010074703584401,0.5796809677198272,0.6278442190391337,0.6974633335617846
EOS-3-26354,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1,CPVARAUNKIKVCY-UHFFFAOYSA-N,3,1,0.27,99,259,422.416,1.829,6,0.45,0.6,0.975,0.08560927969296142,0.0882735933109451,0.041395380714138855,0.04507915838530601,0.06508935302583785
EOS-3-26355,Cc1cc(-c2ncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)n[nH]1,SRFCANYQYFYZPP-UHFFFAOYSA-N,3,1,0.457,87,510,438.904,3.616,5,0.431,0.65,1.0,0.7192447399081625,0.727280515386197,0.15934480159002123,0.1932098553903091,0.44976997806867247
EOS-3-26357,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c2)cs1,ZLBLUIGJGCHLQF-UHFFFAOYSA-N,3,1,0.468,65,858,450.915,3.683,5,0.386,0.68,1.0,0.5746693167020767,0.593250976629429,0.14680282365841957,0.16855424576793915,0.37081934068946615
EOS-3-26358,Fc1ccc(-n2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cn2)c(F)c1,HSZRRCVAJNCYKB-UHFFFAOYSA-N,3,1,0.494,59,772,423.358,3.368,5,0.403,0.72,1.0,0.22297991912822973,0.237466588993215,0.8648738948666986,0.8630234391062984,0.5470859605236105
EOS-3-26359,Cc1nccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)ccn2)n1,DIRDTXLDRYBMLH-UHFFFAOYSA-N,3,1,0.467,75,199,432.394,3.204,5,0.39,0.65,1.0,0.8463350695634295,0.6553954492495374,0.608106024261531,0.527568364060037,0.6593512267836337
EOS-3-26360,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)ccn2)nn1,NDXIGKAFRJDZRS-UHFFFAOYSA-N,3,1,0.462,24,241,432.394,3.204,5,0.39,0.65,1.0,0.6735573298608731,0.5932595435542458,0.6052018367486807,0.544488040572956,0.6041266876841889
EOS-3-26361,Cc1nc(-c2ccc(C(N)=O)cc2F)cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)n1,HYYAVHYOMYMSCW-UHFFFAOYSA-N,3,1,0.379,13,145,477.406,3.865,5,0.408,0.7,0.999,0.667474813241039,0.5130045918717018,0.7545747378521006,0.7084932492632444,0.6608868480570215
EOS-3-26362,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cn1,BMLSFAATJRZNAZ-UHFFFAOYSA-N,3,1,0.517,90,636,409.837,2.216,4,0.486,0.82,1.0,0.5477434720032897,0.5085326571174011,0.14103728325680215,0.11810362552258241,0.32885425947501884
EOS-3-26363,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)c2)nc1,PQNNWTSCSOYJSR-UHFFFAOYSA-N,3,1,0.524,7,62,421.424,2.797,5,0.421,0.66,0.999,0.5892245219655953,0.4053097800013707,0.3430368035090124,0.26030601055445135,0.3994692790076074
EOS-3-26364,Cc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(CO)cc5)n34)n2)nnc1F,REXNVWGPAFWQRT-UHFFFAOYSA-N,3,1,0.358,76,423,413.416,3.25,5,0.482,0.74,0.998,0.35763484339661433,0.4238914399287232,0.5632324720718251,0.5275769309848537,0.4680839215955041
EOS-3-26365,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(C)o5)c(F)c4)n23)cc1,FUOQCHUFOQXQGU-UHFFFAOYSA-N,3,1,0.623,43,909,416.416,4.176,5,0.424,0.82,1.0,0.9158042629017887,0.7885854293742718,0.623038174216983,0.5444966074977726,0.7179811184977041
EOS-3-26366,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cc2)CC1,QNRGFKASPKNEMQ-UHFFFAOYSA-N,3,1,0.319,52,246,470.924,3.975,6,0.39,0.78,0.979,0.08328764306764444,0.14830203550133644,0.16890548968542252,0.2868377767116716,0.17183323624151875
EOS-3-26367,Clc1ccncc1COc1cncc2nnc(-c3ccc(Cl)c(-c4ncccn4)c3)n12,UQQGPNQHCHFMFZ-UHFFFAOYSA-N,3,1,0.537,73,82,450.289,4.529,5,0.389,0.71,1.0,0.9037677335343705,0.9252193132753067,0.7707747926804195,0.8282845589747104,0.8570115996162018
EOS-3-26368,c1cnnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)c2)c1,UITPHBROLZWOLF-UHFFFAOYSA-N,3,1,0.494,40,2,449.434,3.272,6,0.373,0.68,1.0,0.5832362415187444,0.34343088205057914,0.3734836543074498,0.3149801247344253,0.40378272565279966
EOS-3-26369,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cnn2)nc1,UVQPPVUARWVMQS-UHFFFAOYSA-N,3,1,0.444,73,564,436.357,3.035,5,0.414,0.6,1.0,0.752347337399767,0.7133935302583785,0.7752552943595367,0.7736704132684532,0.7536666438215339
EOS-3-26370,COc1cc(CCOc2cncc3nnc(-c4cccnc4-c4cnc(C)o4)n23)ccn1,QUYQFQDPQADZOW-UHFFFAOYSA-N,3,1,0.489,35,393,429.44,3.175,5,0.385,0.66,0.987,0.3435508189980125,0.12998595024330067,0.1882581728462751,0.09820265917346309,0.18999940031526283
EOS-3-26371,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)n1,YMKGBDJKJKZUKC-UHFFFAOYSA-N,3,1,0.489,87,349,429.419,2.502,5,0.401,0.64,1.0,0.6430847782879857,0.6023490507847303,0.1984528133781098,0.19850421492700981,0.4105977143444589
EOS-3-26372,N#Cc1ccnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)c1,FQCZBFSYMBPCIE-UHFFFAOYSA-N,3,1,0.517,24,401,458.844,3.886,5,0.389,0.68,1.0,0.8665444452059489,0.9572253443903777,0.8188609416763758,0.8323538482626276,0.8687461448838325
EOS-3-26373,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)c(F)c1,DMCOUXBIQUINEM-UHFFFAOYSA-N,3,1,0.536,4,71,419.395,3.444,5,0.434,0.69,1.0,0.6827582071139744,0.602357617709547,0.7684788568295524,0.727203413062847,0.6951995236789802
EOS-3-26374,C#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cn2)n1,WGVGOSSTSCMCET-UHFFFAOYSA-N,3,1,0.287,25,373,456.473,3.087,6,0.372,0.66,1.0,0.09292543348639572,0.10059283119731341,0.2551230210403673,0.2751353574121034,0.18094416078404496
EOS-3-26375,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3cccc(Cl)n3)n12,OCGLUZDBJFQPIR-UHFFFAOYSA-N,3,1,0.553,1,31,432.846,4.62,5,0.377,0.8,1.0,0.7840792269207045,0.8582345281337811,0.8095572613254746,0.8343756425193612,0.8215616647248304
EOS-3-26376,Fc1ccnc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c1,GIKVVKSYOYVHRO-UHFFFAOYSA-N,3,1,0.478,18,181,431.406,3.543,5,0.406,0.61,1.0,0.7254300596257968,0.5542200671646905,0.7041583853060106,0.7055205263518607,0.6723322596120896
EOS-3-26377,Cc1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cnc(Cl)cn5)cn4)n23)cn1,PZOUITVTNBMQGV-UHFFFAOYSA-N,3,1,0.4,85,290,432.85,3.73,5,0.427,0.6,1.0,0.38279590158316773,0.46371907340141183,0.5735213487766432,0.6010297443629635,0.5052665170310466
EOS-3-26378,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(C)n5)n34)ncn2)nc1,WWAWMZMYHZSQHB-UHFFFAOYSA-N,3,1,0.398,31,481,442.458,3.416,5,0.394,0.66,0.769,0.6176324446576656,0.44599410595572614,0.2918836954286889,0.2337913782468645,0.3973254060722363
EOS-3-26379,Fc1ccccc1-c1ncccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,PGYSVPBKFBIQJY-UHFFFAOYSA-N,3,1,0.35,9,834,434.438,4.445,6,0.44,0.65,1.0,0.2609913645397848,0.33821362483722844,0.6689140566102392,0.7085018161880612,0.4941552155438284
EOS-3-26380,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)nc1,UPKCCCRHNYLKJV-UHFFFAOYSA-N,3,1,0.309,86,812,422.412,2.699,6,0.421,0.66,1.0,0.1621461860050716,0.09736310054142965,0.1689140566102392,0.1526026317593037,0.14525649372901103
EOS-3-26381,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(C)cs5)cc4)n23)c(F)c1,LGIXGWNPCQFQMR-UHFFFAOYSA-N,3,1,0.412,62,319,457.534,4.918,5,0.407,0.77,1.0,0.28778870536632173,0.3333047769172778,0.7141559865670619,0.6222328832842163,0.48937058803371947
EOS-3-26382,Cc1nc(F)ccc1-c1cnnc(COc2cncc3nnc(-c4ccc(F)cn4)n23)c1,ZMJRGGBVDBCRTB-UHFFFAOYSA-N,3,1,0.381,46,128,432.394,3.204,5,0.39,0.64,1.0,0.560705229250908,0.5403759166609554,0.5500908094030567,0.517690699746419,0.5422156637653348
EOS-3-26384,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4Cl)n23)c1,HZQHIXQTRFWGPN-UHFFFAOYSA-N,3,1,0.553,35,215,464.316,4.572,5,0.364,0.77,1.0,0.8772445343019669,0.9099616201768214,0.7925861832636557,0.8460437941196628,0.8564590329655267
EOS-3-26385,Cc1nnn(C)c1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)n(C)n1,MYHFIEBRTJJDAM-UHFFFAOYSA-N,3,1,0.379,31,105,436.867,2.256,5,0.412,0.62,1.0,0.2396168871221986,0.4053183469261874,0.029607292166403947,0.04128401069152217,0.17895663422657804
EOS-3-26386,COc1ccccc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccn1,GRSGJCXGFGPGEO-UHFFFAOYSA-N,3,1,0.506,1,709,445.429,4.719,5,0.377,0.78,1.0,0.9527448427112604,0.7929202933315057,0.9188026865876225,0.872704064149133,0.8842929716948804
EOS-3-26387,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cccnc6F)n5)n34)nc2)nn1,UMNNHXZVMUARKI-UHFFFAOYSA-N,3,1,0.259,70,652,451.429,2.64,6,0.372,0.63,0.324,0.07108834212870947,0.1445068878075526,0.17856041395380715,0.19036563635117537,0.14613032006031113
EOS-3-26388,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccnc5F)n4)n23)c(F)c1,JFDAAXPSVGYJSM-UHFFFAOYSA-N,3,1,0.3,8,765,458.396,1.903,6,0.364,0.63,1.0,0.02002090329655267,0.232386402576931,0.10919402371324789,0.17944280720992392,0.13526103419916385
EOS-3-26389,Fc1ccccc1-c1ccnc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)c1,YKGNMGKDJLENOX-UHFFFAOYSA-N,3,1,0.429,59,560,434.381,4.245,5,0.412,0.67,1.0,0.6490730587348366,0.6992067027619766,0.8940271400178192,0.904890000685354,0.7867992255499966
EOS-3-26390,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncnn5C)ccn4)n23)c(F)c1,KJOHHNMYWPPEAV-UHFFFAOYSA-N,3,1,0.506,4,677,416.42,3.008,5,0.435,0.73,1.0,0.47169488040572954,0.5221455006510863,0.38829586731546845,0.3401154821465287,0.43056293262970324
EOS-3-26391,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)nc5)n34)ccn2)n1,SDIQUZHRWRPGPH-UHFFFAOYSA-N,3,1,0.337,10,693,466.896,3.759,6,0.386,0.67,1.0,0.10001028030978,0.20725104516482765,0.30275512302104035,0.42605887190734015,0.25901883010074706
EOS-3-26392,Cn1cc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)cn1,HOHQMYBLAUKRIQ-UHFFFAOYSA-N,3,1,0.473,56,415,465.481,2.356,6,0.364,0.65,1.0,0.3191350832705092,0.2026591734630937,0.10392536495099719,0.06837262696182578,0.17352306216160648
EOS-3-26393,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(CCOC)nc4)n23)c(F)c1,LWNCBRPPLMVJQD-UHFFFAOYSA-N,3,1,0.324,82,336,458.501,3.768,5,0.366,0.76,0.998,0.22033273935987938,0.2577187992598177,0.15935336851483792,0.15512130765540402,0.19813155369748475
EOS-3-26394,FC(F)COc1cnc(-c2cncc3nnc(-c4cnc(-c5cncnn5)nc4)n23)cn1,PEJYZAOBTJZPNU-UHFFFAOYSA-N,3,1,0.301,50,489,435.358,1.534,5,0.383,0.61,1.0,0.5298814337605373,0.4328524432869577,0.2158865053800288,0.19037420327599205,0.342248646425879
EOS-3-26395,Cc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)[nH]2)n(C)n1,RNFGLTJNTQKEIZ-UHFFFAOYSA-N,3,1,0.275,99,286,439.447,1.476,6,0.431,0.57,0.91,0.058049482557741075,0.07115687752724283,0.013441505037351793,0.009826262764717977,0.03811853197176342
EOS-3-26396,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccncc4)n23)cn1,MOHAUHVDJALYIV-UHFFFAOYSA-N,3,1,0.252,86,953,461.493,3.292,6,0.38,0.68,0.826,0.09293400041121239,0.021648619011719553,0.025161058186553356,0.031226440956754163,0.04274252964155987
EOS-3-26397,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cnco6)c5)n34)cc2)nc1,SUKXCMAOIRPQOF-UHFFFAOYSA-N,3,1,0.494,40,78,448.446,3.877,6,0.374,0.67,1.0,0.6550613391816873,0.39561202110890276,0.4571568089918443,0.3691402234253992,0.46924259817695835
EOS-3-26398,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,AULNZXPLCOCWPJ-UHFFFAOYSA-N,3,1,0.541,43,521,419.395,3.444,5,0.434,0.69,1.0,0.5832448084435611,0.544976355287506,0.7925947501884724,0.7736789801932699,0.6736237235282023
EOS-3-26399,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ncc(-c5ccnc(F)c5)cn4)n23)c1,QAFRBHCFEDJJLX-UHFFFAOYSA-N,3,1,0.311,10,543,466.415,3.441,6,0.36,0.7,0.999,0.1621547529298883,0.2836080460557878,0.4246624631622233,0.5445051744225893,0.35373260914262217
EOS-3-26400,Cc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3cncc(-c4cn(C)nn4)c3)n12,ISYDLDLJUPBGCA-UHFFFAOYSA-N,3,1,0.256,98,765,449.482,2.753,6,0.403,0.6,1.0,0.04365704886573915,0.031586251799054214,0.17208381879240628,0.14991261736686998,0.09930993420601741
EOS-3-26401,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cn2)n1,OKQLEXRZCAJNIV-UHFFFAOYSA-N,3,1,0.287,10,664,470.859,3.684,6,0.358,0.73,0.996,0.020029470221369337,0.12999451716811733,0.3919282434377356,0.47908813652251386,0.25526009183743403
EOS-3-26402,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nncn6C)c5)n34)nc2)n1,HNFUFEXSRHEZLZ-UHFFFAOYSA-N,3,1,0.245,99,286,448.454,2.204,6,0.394,0.62,0.354,0.04654410252895621,0.00805290932766774,0.06481735316290864,0.0665307381262422,0.046486275786443695
EOS-3-26403,Cn1nc(-c2nnc3cncc(OCc4cccc(C#N)n4)n23)cc1-c1cncc(Cl)c1,DSYKLKYWDHNOCC-UHFFFAOYSA-N,3,1,0.447,95,694,443.858,3.086,5,0.406,0.65,0.909,0.34355938592282914,0.40532691385100406,0.41700363237612226,0.4418477143444589,0.40193441162360355
EOS-3-26404,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cnc(C)cn1,FTSQAPBSDYIHDF-UHFFFAOYSA-N,3,1,0.54,46,717,459.46,4.371,5,0.372,0.76,0.983,0.697698923994243,0.6121410458501816,0.6139743677609485,0.5541343979165239,0.6194871838804743
EOS-3-26405,Clc1cc(CCOc2cncc3nnc(-c4ccc(Oc5ncccn5)cc4)n23)ccn1,FDZNFIKVJTXURN-UHFFFAOYSA-N,3,1,0.571,35,352,445.87,4.044,5,0.346,0.75,1.0,0.9336234665204578,0.8916626687684189,0.5500993763278733,0.4853676924131314,0.7151883010074703
EOS-3-26406,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)ccn1,OOSTUAQCIAKMLU-UHFFFAOYSA-N,3,1,0.562,75,324,430.859,3.313,5,0.378,0.68,1.0,0.7192533068329793,0.7545747378521006,0.44652525529435955,0.45138270166541017,0.5929340004112124
EOS-3-26407,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)n5)n4C)n23)cc1,FWYHBXWAFBEYLQ-UHFFFAOYSA-N,3,1,0.342,8,882,469.9,3.098,6,0.361,0.68,1.0,0.12077650606538277,0.19794736481392639,0.0689808786238092,0.1314080597628675,0.12977820231649645
EOS-3-26408,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)c(F)n5)n4)n23)nn1,MPIHEOGDAHPRIM-UHFFFAOYSA-N,3,1,0.419,53,670,433.382,2.599,5,0.386,0.63,0.852,0.5426118840381057,0.5358868480570215,0.21951888150229593,0.21054074429442807,0.3771395894729628
EOS-3-26409,c1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cn2)cc1,XZKJFYNFJDKLBQ-UHFFFAOYSA-N,3,1,0.262,64,195,417.436,3.496,6,0.433,0.7,0.999,0.006442327462134192,0.003863683092317182,0.2517562195874169,0.3209684051812761,0.1457576588307861
EOS-3-26410,Cc1cc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cc(-c2nc(C)no2)n1,ALEKCNMHQZCDBV-UHFFFAOYSA-N,3,1,0.628,4,32,417.404,3.571,5,0.427,0.79,1.0,0.8623209512713317,0.7458022068398328,0.35079843739291344,0.314988691659242,0.56847757179083
EOS-3-26411,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cccnc5F)n34)ccc2F)cn1,BFFDRVZFTLKIJO-UHFFFAOYSA-N,3,1,0.517,16,394,433.422,3.927,5,0.378,0.71,1.0,0.5746778836268933,0.5449849222123226,0.7451339867041327,0.6917363443218423,0.6391332842162978
EOS-3-26412,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)o1,BMBIDQAXLCMLPM-UHFFFAOYSA-N,3,1,0.561,59,153,436.834,4.521,5,0.4,0.72,1.0,0.8167277773970255,0.6893804399972586,0.8117332602289082,0.7853299979439381,0.7757928688917826
EOS-3-26413,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)s2)n(C)n1,UWENQNLPHKYENX-UHFFFAOYSA-N,3,1,0.338,98,882,454.523,3.419,6,0.402,0.62,1.0,0.05448564183400727,0.07796758275649372,0.044359536700705915,0.04129257761633884,0.054526334726886436
EOS-3-26414,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)cn2)n1,VOTUVRJYBBCSJN-UHFFFAOYSA-N,3,1,0.511,65,981,434.847,3.215,5,0.397,0.68,1.0,0.6286752107463505,0.6554040161743541,0.20905866630114453,0.24260674388321568,0.43393615927626616
EOS-3-26415,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1,YNOCRTRDQGLXEU-UHFFFAOYSA-N,3,1,0.367,61,316,433.878,4.838,5,0.405,0.77,1.0,0.3483311630457131,0.45028613528887673,0.519755328627236,0.6308854773490508,0.4873145260777191
EOS-3-26416,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,LSIVYHZZSGCXHF-UHFFFAOYSA-N,3,1,0.478,75,420,448.849,3.452,5,0.389,0.62,1.0,0.8553217736961141,0.7885939962990884,0.4207559454458228,0.4701185662394627,0.633697570420122
EOS-3-26417,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)o1,RCINRODKADHYAF-UHFFFAOYSA-N,3,1,0.478,15,655,451.849,3.959,5,0.382,0.7,1.0,0.7813292440545542,0.7226715098348296,0.4640189157699952,0.4761496813103968,0.611042337742444
EOS-3-26418,COc1cc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)ccc1-c1nc(C)no1,HVGOBJRNELZBOW-UHFFFAOYSA-N,3,1,0.477,16,980,467.848,3.925,5,0.366,0.76,1.0,0.8063960660681242,0.635700089096018,0.5667963127955589,0.4882804468507984,0.6242932287026248
EOS-3-26419,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)ncc1Cl,SVKAJGMKWPQRNF-UHFFFAOYSA-N,3,1,0.523,2,419,447.861,4.057,5,0.387,0.67,1.0,0.7896220272770886,0.8520320745665136,0.7325491741484477,0.7612740730587348,0.7838693372626963
EOS-3-26420,Fc1cc(-c2nnc3cncc(-c4ccnc(-c5cncnc5)c4)n23)ccc1-c1ccncc1,SNERVEXBNHLAFV-UHFFFAOYSA-N,3,1,0.333,42,174,446.449,4.511,6,0.393,0.7,1.0,0.34134911932012885,0.41475053114933863,0.8135837159893085,0.8097800013707079,0.5948658419573709
EOS-3-26421,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)s2)n1C,MVSIDILRTIZSHN-UHFFFAOYSA-N,3,1,0.29,76,301,450.531,4.686,6,0.387,0.76,0.465,0.04519052840792269,0.0711654444520595,0.13797032417243507,0.20142553628949353,0.1139379583304777
EOS-3-26422,Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5ccccc5Cl)cc4F)n23)cn1,NWSQWKJQQBEODN-UHFFFAOYSA-N,3,1,0.429,13,417,432.846,5.142,5,0.391,0.86,1.0,0.7671766842574189,0.8422315125762456,0.8416832293879789,0.8460523610444795,0.8242859468165308
EOS-3-26423,COCc1nc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)no1,JVNSMGMMSPXTKO-UHFFFAOYSA-N,3,1,0.429,2,995,453.821,3.968,5,0.376,0.72,1.0,0.57468645055171,0.6121496127749982,0.4985864574052498,0.5311493386334042,0.5541429648413406
EOS-3-26424,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)c2)nc1,CEFKKQRDIDVGJL-UHFFFAOYSA-N,3,1,0.43,18,181,446.902,3.565,5,0.393,0.67,1.0,0.34833972997052975,0.3194606264135426,0.2195274484271126,0.24527105750119937,0.2831497155780961
EOS-3-26425,COc1ccc(C#N)cc1COc1cncc2nnc(-c3ccc(-c4noc(C)n4)nc3)n12,ZKOLFRKMCXKJLS-UHFFFAOYSA-N,3,1,0.441,89,283,440.423,3.004,5,0.387,0.69,1.0,0.47935371119183057,0.3816736344321842,0.36944863271879924,0.24261531080803234,0.36827282228771163
EOS-3-26426,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(Cl)c4)n23)nc1,QPCBVMHUHVHLIB-UHFFFAOYSA-N,3,1,0.314,39,972,466.896,3.759,6,0.386,0.68,0.998,0.08128298266054416,0.19795593173874307,0.27734562401480367,0.3975481461174697,0.23853317113289013
EOS-3-26427,Clc1cc(Cl)nc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)n1,APRWTZBWGWIBAA-UHFFFAOYSA-N,3,1,0.5,72,889,465.304,3.967,5,0.347,0.74,1.0,0.8575234733739977,0.9196508121444726,0.3883044342402851,0.5043262970324173,0.6674512541977932
EOS-3-26428,COc1ncc(-c2cnc(C)cn2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,OBFFIIHCOXKFGK-UHFFFAOYSA-N,3,1,0.27,33,432,479.504,2.915,6,0.39,0.77,0.927,0.12078507299019944,0.044873552189705984,0.06288122815434172,0.04641559865670619,0.06873886299773833
EOS-3-26429,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)n2)cc1,ODWHCVNRIPERNL-UHFFFAOYSA-N,3,1,0.455,29,704,453.359,4.19,5,0.369,0.72,0.995,0.6550699061065041,0.9196593790692893,0.9188112535124392,0.9235401960112398,0.8542701836748681
EOS-3-26430,Fc1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)no4)n23)c(-c2cccnc2)c1,UBCQROMRJKCHCX-UHFFFAOYSA-N,3,1,0.397,30,203,435.422,4.709,6,0.396,0.75,1.0,0.2850387225001713,0.41946233979850595,0.5632410389966418,0.6540161743540539,0.4804395689123432
EOS-3-26431,Fc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4ncccc4F)c3)n12,OEVIWQYZHNNKOB-UHFFFAOYSA-N,3,1,0.505,65,778,432.394,2.938,5,0.403,0.62,1.0,0.6977074909190597,0.6744739908162566,0.5331282982660545,0.5575440339935577,0.6157134534987322
EOS-3-26432,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5cc(F)c(Cl)cc5F)n34)c2)nn1,HWFSJRHAKHSZQP-UHFFFAOYSA-N,3,1,0.293,22,844,425.79,2.975,5,0.41,0.64,0.918,0.17022479610718935,0.3529059008978137,0.6773610444794737,0.7612826399835515,0.49044359536700705
EOS-3-26433,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncn5C)c4)n23)c(Cl)n1,JKCGIUGKAOMKJN-UHFFFAOYSA-N,3,1,0.494,75,624,432.875,3.523,5,0.392,0.7,1.0,0.47435919402371324,0.42820917003632375,0.4500291275443767,0.3916626687684189,0.4360650400932081
EOS-3-26434,c1cncc(-c2cnnc(-c3cncc4nnc(-c5cccnc5-c5cncnc5)n34)n2)c1,ORGACEMAMYBUOY-UHFFFAOYSA-N,3,1,0.27,94,165,431.423,2.557,6,0.41,0.6,0.976,0.058058049482557744,0.08828216023576177,0.12890651771640052,0.1712271263107395,0.11161846343636488
EOS-3-26435,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c1,ADQOJCJQUWGNLN-UHFFFAOYSA-N,3,1,0.326,64,27,467.443,3.989,6,0.387,0.71,1.0,0.17858611472825714,0.28888527174285517,0.5331368651908711,0.6308940442738674,0.4078755739839627
EOS-3-26436,Fc1cc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cnc1-c1ncccn1,XWRZNIBHUXUQFE-UHFFFAOYSA-N,3,1,0.369,14,260,451.387,4.392,5,0.377,0.7,1.0,0.5477520389281064,0.6940408470975259,0.961937153039545,0.9331694195051744,0.7842248646425879
EOS-3-26437,Fc1ncccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cn1,FTTKXVVKFCQEHL-UHFFFAOYSA-N,3,1,0.333,86,443,438.386,2.894,6,0.378,0.64,0.996,0.3214824206702762,0.3482026591734631,0.2623620725104516,0.28684634363648825,0.3047233739976698
EOS-3-26438,Cc1ccc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5nc(C)n[nH]5)n34)c2)nn1,QGABQLFTWRMMNZ-UHFFFAOYSA-N,3,1,0.267,9,598,446.478,3.712,6,0.435,0.62,0.84,0.06693338359262559,0.07117401137687615,0.16248886299773832,0.17123569323555615,0.11795798780069906
EOS-3-26439,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)c(C)n5)c4)n23)n1,YSMIBDJYOLBZAK-UHFFFAOYSA-N,3,1,0.541,24,912,427.443,3.978,5,0.419,0.7,1.0,0.6004643273250634,0.5498852032074566,0.5022016996778836,0.39755671304228635,0.5125269858131725
EOS-3-26440,Cn1ncc(-c2nc(COc3cncc4nnc(-c5cnc(C(F)F)cn5)n34)ccc2F)n1,DGTMGGCCHHKDPU-UHFFFAOYSA-N,3,1,0.419,7,828,454.376,2.428,5,0.381,0.64,0.378,0.40899355767253787,0.4100044548009047,0.3582859296826811,0.30566787745870744,0.37073795490370776
EOS-3-26441,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1,KMHBDWVZCOSYQF-UHFFFAOYSA-N,3,1,0.333,9,867,449.453,3.85,6,0.403,0.62,1.0,0.27953018984305394,0.2682903844835858,0.6314680282365842,0.6194229319443493,0.4496778836268933
EOS-3-26442,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cn1,AXHCPYMYCGFWCG-UHFFFAOYSA-N,3,1,0.551,90,636,411.372,1.841,4,0.516,0.7,1.0,0.5504420533205401,0.36737543691316565,0.3283530943732438,0.24833801658556645,0.373627150298129
EOS-3-26443,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)cn1,MIYVJPJITDNPSI-UHFFFAOYSA-N,3,1,0.489,2,349,450.865,3.396,5,0.391,0.65,1.0,0.5746950174765266,0.5449934891371393,0.6773696114042903,0.659661777808238,0.6141799739565486
EOS-3-26444,Cn1nc(-c2nnc3cncc(OCCc4cnncc4F)n23)cc1-c1ccc(Cl)cc1,ZDSZCLSXWRPNDL-UHFFFAOYSA-N,3,1,0.523,95,835,450.865,3.396,5,0.391,0.63,1.0,0.5452162291823727,0.5978428483311631,0.49859502433006647,0.579895140840244,0.5553873106709615
EOS-3-26445,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(F)c1,WFCHPUWPBHSDOQ-UHFFFAOYSA-N,3,1,0.489,37,482,450.865,3.396,5,0.391,0.63,1.0,0.7284798848605305,0.7716486190117195,0.4744448632718799,0.5043348639572339,0.619727057775341
EOS-3-26446,Cc1cc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)n1,MGKOGPMQVVGNCT-UHFFFAOYSA-N,3,1,0.453,18,161,445.433,3.851,5,0.392,0.62,1.0,0.7006202453567267,0.5835360838873278,0.6612209581248715,0.6338496333356178,0.644806730176136
EOS-3-26447,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,HCUVJBARVMYSCY-UHFFFAOYSA-N,3,1,0.571,56,415,463.465,2.413,6,0.362,0.67,1.0,0.42748954835172365,0.23239496950174765,0.10645260777191419,0.09615516414227948,0.21562307244191625
EOS-3-26448,Cc1nc(COc2cncc3nnc(-c4ccc(F)cn4)n23)cc(-c2cnc(C)o2)n1,LBSCSOBBCCVMNI-UHFFFAOYSA-N,3,1,0.419,46,128,418.392,2.966,5,0.424,0.69,1.0,0.5399561373449386,0.4592043040230279,0.18167877458707424,0.14029196079775205,0.33028279418819817
EOS-3-26449,Fc1cc(COc2cncc3nnc(-c4cc(-c5ncccn5)cnn4)n23)cnc1Cl,DATLDAJCBFTNMH-UHFFFAOYSA-N,3,1,0.398,55,65,435.81,2.805,5,0.384,0.63,1.0,0.7038499760126106,0.6023661846343636,0.4131399492838051,0.4545438969227606,0.5434750017133849
EOS-3-26450,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccc2F)n1C,MRQLEJPMXAHUBJ-UHFFFAOYSA-N,3,1,0.506,73,772,451.412,3.892,5,0.403,0.67,1.0,0.7813378109793708,0.7412531697621821,0.8135922829141251,0.7664056610239188,0.7756472311698992
EOS-3-26451,COc1cc(-c2nnc3cncc(OCCc4ccnc(C)n4)n23)ccc1-c1ncccn1,XCDYKLUBEGEMMI-UHFFFAOYSA-N,3,1,0.505,15,604,440.467,2.977,5,0.377,0.64,1.0,0.6176410115824823,0.3434394489753958,0.16892262353505585,0.08829072716057844,0.3045734528133781
EOS-3-26452,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ccc2F)nn1,IGWPVUGFCZTXNL-UHFFFAOYSA-N,3,1,0.495,72,639,445.433,3.851,5,0.367,0.68,1.0,0.8665530121307655,0.8642656432047152,0.6256510862860668,0.6040453018984305,0.7401287608799945
EOS-3-26453,Cc1ncc(-c2ccnc(-c3cncc4nnc(-c5ccc(C(N)=O)o5)n34)c2)cc1F,PRQCBXGTNVWTBE-UHFFFAOYSA-N,3,1,0.314,82,155,415.388,3.055,5,0.478,0.69,0.767,0.21469570283051195,0.16765471866218903,0.39193681036255223,0.33044342402851073,0.276182663970941
EOS-3-26454,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cc1F,RACGDWBTARNHSN-UHFFFAOYSA-N,3,1,0.523,19,207,431.406,3.543,5,0.406,0.65,1.0,0.7727109176889864,0.6647762319237887,0.7476183949009664,0.7638869851278185,0.7372481324103899
EOS-3-26455,OCc1cc(-c2nnc3cncc(OCc4ncc(-c5cccnc5F)cn4)n23)ncc1F,QXSWOIOUJCLQMY-UHFFFAOYSA-N,3,1,0.384,51,969,448.393,2.388,5,0.39,0.66,1.0,0.6888835583578918,0.5594030566787745,0.5668048797203755,0.5209632650263861,0.584013689945857
EOS-3-26456,CCNC(=O)c1ncc(-c2nnc3cncc(-c4cc(-c5cnn(C(F)F)c5)ncn4)n23)cc1C,KHINMGBJXSYVQL-UHFFFAOYSA-N,3,1,0.288,50,974,476.451,2.96,5,0.396,0.68,0.996,0.1263878418203002,0.21215132615996163,0.21589507230484545,0.1291292577616339,0.17089087451168528
EOS-3-26457,Cc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,DNLSFJRJDIHQIG-UHFFFAOYSA-N,3,1,0.449,4,242,431.847,2.974,5,0.413,0.62,1.0,0.537368926050305,0.5730416009869097,0.13171646905626755,0.14507230484545267,0.34679982523473374
EOS-3-26458,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)c2)ncn1,PYZANHRERXLDOO-UHFFFAOYSA-N,3,1,0.528,4,92,445.433,4.117,5,0.402,0.68,1.0,0.6176495785072991,0.5636693852374751,0.7246590363922967,0.639752244534302,0.6364325611678432
EOS-3-26460,CCc1nc(-c2cncc3nnc(-c4ccc(-c5nc(C#N)cn5C)cn4)n23)ncc1F,RDMOHAAWACOJSI-UHFFFAOYSA-N,3,1,0.288,50,489,426.419,2.617,5,0.43,0.65,0.727,0.2581985470495511,0.30411726406689055,0.10920259063806456,0.11811219244739908,0.19740764855047635
EOS-3-26461,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)c1,AZYURGJVRSAIJV-UHFFFAOYSA-N,3,1,0.402,54,643,450.865,3.836,5,0.388,0.69,0.951,0.45056884380782675,0.4502947022136934,0.6230467411417997,0.6512918922623535,0.5438005448564184
EOS-3-26462,Cn1cnnc1-c1cc(F)c(-c2nnc3cncc(Cc4cccc(-c5cccnn5)c4)n23)cn1,UONXRGOCUHAKAT-UHFFFAOYSA-N,3,1,0.33,10,314,464.468,3.169,6,0.382,0.67,1.0,0.23697827427866494,0.2836166129806045,0.2990799122746899,0.3432681104790624,0.29073572750325544
EOS-3-26463,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccoc6)nc5)n34)cnn2)nn1,OYVJYFXHHNCJOE-UHFFFAOYSA-N,3,1,0.316,86,719,434.423,3.064,6,0.407,0.62,0.818,0.11841203481598246,0.09434754300596258,0.1438986361455692,0.1630628469604551,0.12993026523199233
EOS-3-26465,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)c4)n23)cn1,LPFNQRDIOWYHMY-UHFFFAOYSA-N,3,1,0.436,6,34,461.489,3.623,6,0.37,0.68,1.0,0.5042406277842506,0.2734134055239531,0.33221677746556094,0.2721455006510863,0.34550407785621273
EOS-3-26466,Cc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4nccn4C)c(F)c3)n12,QKVRPGKWMWOHCY-UHFFFAOYSA-N,3,1,0.565,35,353,429.459,3.656,5,0.41,0.67,1.0,0.7671852511822356,0.731975190185731,0.5433743403467891,0.46073778356521145,0.6258181413199917
EOS-3-26467,Cc1cccc(-c2ncncc2-c2nnc3cncc(-c4cccc(-c5cnnn5C)n4)n23)n1,FJTZMSVELTXAIT-UHFFFAOYSA-N,3,1,0.264,76,387,447.466,2.809,6,0.401,0.61,0.089,0.02983003221163731,0.021657185936536223,0.08464978411349462,0.08472688643684463,0.05521597217462819
EOS-3-26468,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)nc1,XZYWUJYYXZSNRX-UHFFFAOYSA-N,3,1,0.549,59,630,448.408,4.553,5,0.367,0.76,1.0,0.9158128298266054,0.8783496676033171,0.915178877390172,0.8838324994859845,0.8982934685765198
EOS-3-26469,CCn1c(-c2cn(C)nc2C)nnc1-c1cncc2nnc(-c3ccc(-c4cnn(C)c4)nc3)n12,IWVJEUNYILITLG-UHFFFAOYSA-N,3,1,0.281,99,754,466.513,2.574,6,0.38,0.68,1.0,0.02108320197381948,0.021665752861352888,0.01470084298540196,0.011137002261668152,0.01714670002056062
EOS-3-26470,Fc1cc(-c2ncon2)nnc1Oc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,ISNNOKVIAKBHNM-UHFFFAOYSA-N,3,1,0.372,67,622,442.374,2.953,6,0.423,0.61,1.0,0.7315040093208142,0.5730501679117264,0.22648379137824687,0.23675553423343157,0.4419483757110548
EOS-3-26471,Fc1cc(F)cc(-c2nnc3cncc(Cc4cc(-c5cccnc5F)ncn4)n23)c1,LFWSEVUKJFJWBU-UHFFFAOYSA-N,3,1,0.403,14,81,419.37,3.651,5,0.414,0.7,1.0,0.3759337948050168,0.5085412240422178,0.822698923994243,0.8514066890548968,0.6396451579740936
EOS-3-26472,Fc1cccc(-c2ccnc(COc3cncc4nnc(-c5ccnc(Cl)c5)n34)c2)c1,VXLAWAQSYPVIIB-UHFFFAOYSA-N,3,1,0.598,97,744,432.846,4.62,5,0.377,0.75,1.0,0.5950842985401961,0.7628846549242684,0.8677695154547324,0.8867109862243849,0.7781123637858953
EOS-3-26473,FC(F)(F)Oc1cnc(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1Cl,AAMNFWYENLGQEJ-UHFFFAOYSA-N,3,1,0.457,68,473,471.226,4.408,4,0.412,0.7,0.998,0.8885528750599685,0.919667945994106,0.9666232609142622,0.9547066684942773,0.9323876876156536
EOS-3-26474,FC(F)n1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)cn1,RPCDIMAFMDWZJG-UHFFFAOYSA-N,3,1,0.306,32,191,467.443,4.569,6,0.366,0.76,1.0,0.10757487492289768,0.23747515591803167,0.7246676033171133,0.6655301213076554,0.43381193886642455
EOS-3-26475,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nn5)[nH]4)n23)c1,QDBCUUPGDRQPJM-UHFFFAOYSA-N,3,1,0.311,10,356,472.835,2.678,6,0.405,0.65,0.161,0.24780686724693304,0.35792611884038106,0.13172503598108423,0.3056764443835241,0.2607836166129806
EOS-3-26476,Clc1ccc(-c2nnc3cncc(OCc4noc(-c5ccsc5)n4)n23)cc1Cl,GZDDJBLJSPPAGY-UHFFFAOYSA-N,3,1,0.531,73,756,445.291,4.789,5,0.384,0.8,1.0,0.7924833801658556,0.7843276677403879,0.5265146323075869,0.6596703447330546,0.6907490062367213
EOS-3-26477,OCc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)cn1,WZYGJRYWAGVVQX-UHFFFAOYSA-N,3,1,0.528,97,439,446.417,3.598,5,0.398,0.68,1.0,0.6707816462202728,0.612158179699815,0.8859142622164348,0.8440991021862793,0.7532382975807005
EOS-3-26478,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ncccn5)s4)n23)cc1,MPCYAHAQCGDLAO-UHFFFAOYSA-N,3,1,0.582,4,539,421.873,3.937,5,0.424,0.73,1.0,0.7494945514358166,0.8833784524707011,0.25176478651223355,0.35595572613254745,0.5601483791378248
EOS-3-26479,Cc1cc(COc2cncc3nnc(-c4cc(-c5cncnc5C)cnn4)n23)c(F)cn1,YHSUFJBOPRFJCE-UHFFFAOYSA-N,3,1,0.378,92,182,429.419,2.768,5,0.416,0.64,1.0,0.5554023027893907,0.45030326913851004,0.3809540127475841,0.30218970598314027,0.4222123226646563
EOS-3-26481,CCn1ncnc1-c1ccc(-c2nnc3cncc(Oc4cccnc4)n23)cc1Cl,DTMQMAACMNRNGP-UHFFFAOYSA-N,3,1,0.477,13,374,418.848,3.91,5,0.427,0.76,1.0,0.4691590706599959,0.5886162703036119,0.28838839010348843,0.35596429305736416,0.4255320060311151
EOS-3-26482,COc1ccc(F)c(CCOc2cncc3nnc(-c4ccnc(-c5cncn5C)c4)n23)n1,ZEAMWTXDRFMOHB-UHFFFAOYSA-N,3,1,0.473,75,624,446.446,2.751,5,0.376,0.67,1.0,0.5141354259475018,0.37701322733191694,0.2809265985881708,0.18493420601740798,0.3392523644712494
EOS-3-26483,Clc1cccc(COc2cncc3nnc(-c4ncc(-c5ccccc5)cn4)n23)n1,RRCIWIWLTFUEGO-UHFFFAOYSA-N,3,1,0.453,1,700,415.844,3.876,5,0.402,0.8,1.0,0.4793622781166472,0.5042491947090673,0.41314851620862175,0.5043434308820506,0.47527585497909675
EOS-3-26484,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)n1C,UFOXXRVDBHRKEH-UHFFFAOYSA-N,3,1,0.394,46,168,416.42,3.008,5,0.435,0.71,1.0,0.6230553080666164,0.42390000685353985,0.39194537728736895,0.3179100130217257,0.4392026763073127
EOS-3-26485,Cn1nc(-c2nnc3cncc(OCc4nc(F)cs4)n23)cc1-c1ccc(C#N)nc1,JPPVRBOFMUALOS-UHFFFAOYSA-N,3,1,0.435,95,694,433.432,2.633,5,0.415,0.64,1.0,0.32149098759509287,0.3909516140086355,0.22649235830306352,0.21637482009457884,0.2888274450003427
EOS-3-26486,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)nc1,OLYDOAFFUSKCQL-UHFFFAOYSA-N,3,1,0.25,70,312,421.428,2.229,6,0.425,0.66,1.0,0.0007110547597834281,0.006125351243917484,0.15005825508875334,0.14508087177026935,0.0754938832156809
EOS-3-26487,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nncs5)n4)n23)c1,MNNZLWVPRIHTDW-UHFFFAOYSA-N,3,1,0.325,64,176,453.466,3.968,6,0.395,0.65,0.892,0.16216331985470495,0.2991056130491399,0.21590363922966213,0.3304519909533274,0.2519061407717086
EOS-3-26488,Fc1ncccc1-c1cnc(-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)cn1,HBRXKJWMGWKNFR-UHFFFAOYSA-N,3,1,0.384,86,989,448.425,3.301,6,0.374,0.62,1.0,0.282314440408471,0.33331334384209443,0.36945719964361595,0.38506613665958467,0.3425377801384415
EOS-3-26489,Cc1cnnc(-c2ccc(-c3nnc4cncc(OC5Cc6ccccc6C5)n34)nc2C)n1,AHNKKWCDFBPIJH-UHFFFAOYSA-N,3,1,0.398,89,440,436.479,3.201,6,0.423,0.63,0.963,0.42516791172640667,0.24287231855253238,0.19846138030292645,0.20143410321431018,0.2669839284490439
EOS-3-26490,Fc1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ccc1-c1ccncc1,ABCNVSHJDUALDH-UHFFFAOYSA-N,3,1,0.578,35,265,448.408,4.287,5,0.386,0.68,1.0,0.9534901651703105,0.9479644986635597,0.9278750599684737,0.9225464327325064,0.9379690391337125
EOS-3-26491,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)cn1,URTFMTIKPOPPSO-UHFFFAOYSA-N,3,1,0.468,27,69,433.382,2.95,5,0.398,0.63,0.99,0.5862432321293949,0.5835446508121445,0.539947570420122,0.43843807826742515,0.5370433829072716
EOS-3-26492,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)c(-c2ccc(F)cc2)n1,MFVAHLUWKABPOC-UHFFFAOYSA-N,3,1,0.302,70,179,463.48,4.158,6,0.387,0.7,1.0,0.1453635802892194,0.2479525049688164,0.4744534301966966,0.46712014255362894,0.33372241450209034
EOS-3-26493,COc1nc(-c2cnc(C)nc2)ccc1-c1nnc2cncc(OCCc3ccn(C)n3)n12,MWIRIHJQHNRDRD-UHFFFAOYSA-N,3,1,0.427,31,456,443.471,2.315,5,0.373,0.67,0.999,0.2609999314646015,0.13341272016996777,0.0667706120211089,0.02220546912480296,0.12084718319512029
EOS-3-26494,Cc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)n1,BAFBTGKNVNBVRZ-UHFFFAOYSA-N,3,1,0.316,32,191,442.486,4.681,6,0.391,0.73,0.996,0.12639640874511684,0.11961997121513261,0.3919539442121856,0.38204201219930095,0.255003084092934
EOS-3-26495,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6n[nH]cc6C)cn5)n34)cn2)cn1,RCWYOEZIIUJOJH-UHFFFAOYSA-N,3,1,0.317,70,968,446.478,3.712,6,0.435,0.63,0.994,0.08329620999246111,0.12319237886368309,0.2444143650195326,0.20144267013912687,0.16308640600370092
EOS-3-26496,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)ccn2)ncn1,VYQMUUJPKJHDNG-UHFFFAOYSA-N,3,1,0.452,24,199,432.394,3.204,5,0.39,0.67,1.0,0.8141576999520252,0.5978514152559797,0.6171698307175656,0.5375659653210884,0.6416862278116647
EOS-3-26497,CCn1c(-c2ccnnc2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,DXJBLGIRTCTOKS-UHFFFAOYSA-N,3,1,0.283,8,342,447.466,2.984,6,0.392,0.62,1.0,0.07109690905352614,0.04124117606743883,0.034473305462271266,0.07206497155780961,0.05471909053526146
EOS-3-26498,N#Cc1cc(-c2nnc3cncc(OCc4cnnc(-c5c[nH]nn5)c4)n23)ccc1Cl,WFYTVKQDASNMMR-UHFFFAOYSA-N,3,1,0.495,36,659,430.819,2.47,5,0.444,0.6,0.863,0.7284884517853472,0.8422400795010623,0.55010794325269,0.5859862243848948,0.6767056747309985
EOS-3-26499,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)nn1,BBSGJMJWKWHUNS-UHFFFAOYSA-N,3,1,0.388,53,411,435.398,2.276,5,0.4,0.59,0.813,0.534995887876088,0.38627407305873485,0.28468747858268795,0.29914844767322324,0.37627647179768353
EOS-3-26500,CNC(=O)c1ncc(-c2nnc3cncc(-c4cn(C5CNC5)nn4)n23)cc1Cl,QTNRKEGJZWIOKC-UHFFFAOYSA-N,3,1,0.283,68,66,410.829,0.602,5,0.5,0.79,0.972,0.10758344184771435,0.11335754917414845,0.006228154341717497,0.009483585772051264,0.05916318278390789
EOS-3-26501,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(C#N)s5)n34)c2)ns1,NIXNLLKXFFICGH-UHFFFAOYSA-N,3,1,0.512,4,921,431.506,4.13,5,0.412,0.74,1.0,0.45743095058597766,0.5358954149818381,0.27327633472688645,0.25134500719621683,0.3794869268727298
EOS-3-26502,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nc5)n4)n23)nc1,NUIIRYAQDHTBBQ-UHFFFAOYSA-N,3,1,0.385,46,128,451.277,3.924,5,0.371,0.68,1.0,0.5554108697142074,0.7226800767596464,0.5366664382153382,0.6338582002604345,0.6121538962374066
EOS-3-26503,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6cccn6)n5)n34)nc2)nc1,LAQBRSRVGIDBBI-UHFFFAOYSA-N,3,1,0.279,32,687,451.881,4.149,6,0.397,0.67,1.0,0.024252964155986566,0.1073007333287643,0.4170121993009389,0.4912103351380988,0.25994405798094716
EOS-3-26504,NC(=O)c1ccc(-c2nnc3cncc(CCc4cc(-c5cncnn5)ncn4)n23)cn1,AAVCVGXIINKWKR-UHFFFAOYSA-N,3,1,0.337,85,60,425.416,0.712,5,0.41,0.6,1.0,0.14281063669385238,0.04488211911452265,0.019421218559385924,0.012970324172435063,0.055021074635049
EOS-3-26505,COCc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(F)(F)F)nc5)n34)cn2)cn1,CUFWOKHINOTACZ-UHFFFAOYSA-N,3,1,0.425,82,478,464.411,3.871,5,0.386,0.71,1.0,0.47937084504146393,0.5498937701322734,0.867778082379549,0.7085103831128778,0.651388270166541
EOS-3-26506,Fc1cccc(-c2nnc3cncc(-c4nc(-c5ncc(C(F)F)cc5Cl)no4)n23)c1,FWZRRXQTOXVHEY-UHFFFAOYSA-N,3,1,0.429,22,315,443.776,4.633,5,0.399,0.74,1.0,0.3366287437461449,0.5542286340895072,0.8207713659104928,0.885314577479268,0.6492358303063532
EOS-3-26507,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5scnc5F)n34)ccn2)cn1,CJVWUFVWLPSFHN-UHFFFAOYSA-N,3,1,0.538,75,329,422.449,2.804,5,0.415,0.68,1.0,0.45287334658351036,0.43286101021177437,0.1915564389006922,0.17386573915427317,0.31278913371256256
EOS-3-26508,CCc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,YCEBZHWRAPNPFG-UHFFFAOYSA-N,3,1,0.451,4,207,444.886,3.833,5,0.389,0.64,1.0,0.4068775272428209,0.49494551435816597,0.40292817490233707,0.4006493729011034,0.4263501473511068
EOS-3-26509,Cn1nnc(-c2cccc(Cc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)n1,DQGUILPDIHZCCM-UHFFFAOYSA-N,3,1,0.374,85,784,412.417,1.066,5,0.451,0.75,1.0,0.09062093071071209,0.07797614968131039,0.03448187238708793,0.023096429305736414,0.05654384552121171
EOS-3-26511,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nnccc5Cl)n34)cc2)nn1,OKOYMPSEGMNEFV-UHFFFAOYSA-N,3,1,0.466,36,447,419.836,2.609,5,0.427,0.69,1.0,0.4180145295044891,0.522154067575903,0.25177335343705026,0.2930059625796724,0.3712369782742787
EOS-3-26512,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)nn2C)ccn1,XRDSSDJVEFVRFT-UHFFFAOYSA-N,3,1,0.517,95,956,435.85,4.48,5,0.414,0.74,1.0,0.4339490096634912,0.4811784661777808,0.7221403604961962,0.7298934274552806,0.5917903159481872
EOS-3-26513,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)no1,JMAWIYCLLFJKPW-UHFFFAOYSA-N,3,1,0.542,59,630,438.369,4.146,5,0.381,0.74,1.0,0.7896305942019053,0.7041069837571106,0.8559557261325474,0.8184240285107258,0.7920293331505723
EOS-3-26514,Cc1ncc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4F)n23)o1,HNGSYXOWEAZVAD-UHFFFAOYSA-N,3,1,0.322,98,314,453.441,3.751,6,0.397,0.64,1.0,0.2795387567678706,0.31946919333835927,0.31753306832979233,0.32396682886710987,0.31012696182578303
EOS-3-26515,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nc(C)nn5C)c(F)c4)n23)n1,RDVNUAZRZLKGEK-UHFFFAOYSA-N,3,1,0.542,36,677,436.476,3.378,5,0.417,0.64,1.0,0.4227434720032897,0.5267630731272702,0.09169179631279556,0.07959529847166061,0.280198409978754
EOS-3-26516,COCc1ccnc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)c1,HHKMENHMBTUDRB-UHFFFAOYSA-N,3,1,0.534,16,353,445.458,3.451,5,0.379,0.68,1.0,0.5529778630662737,0.5835532177369611,0.6052104036734973,0.4732797614968131,0.5537553114933863
EOS-3-26518,Fc1ccc(-c2ccc(CNCc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)nc1,JBOJPAYHOWCRDS-UHFFFAOYSA-N,3,1,0.374,14,416,461.451,4.615,5,0.381,0.75,1.0,0.42970838187924065,0.4460026728805428,0.9010091837434034,0.8754369131656501,0.6630392879172093
EOS-3-26519,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)ccn1,MHRSOSRMWYFUJK-UHFFFAOYSA-N,3,1,0.282,10,957,436.414,3.03,6,0.388,0.63,1.0,0.0034867384003837982,0.08501816188061134,0.4131570831334384,0.45455246384757725,0.23905361181550272
EOS-3-26520,OCc1cnc(-c2cccc(-c3nnc4cncc(Cc5cnc(F)c(F)c5)n34)c2)cn1,HOUKHYDPOHSLGW-UHFFFAOYSA-N,3,1,0.323,14,81,431.406,3.005,5,0.427,0.62,1.0,0.37359502433006647,0.4239085737783565,0.727331916935097,0.694657665684326,0.5548732951819615
EOS-3-26521,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4nc(-c5ncccn5)cn4C)n23)c1,JYTONSQHIOCJIR-UHFFFAOYSA-N,3,1,0.364,80,34,465.481,2.356,6,0.364,0.7,1.0,0.3642485093550819,0.24288088547734904,0.07968096771982729,0.05723562470015763,0.18601149681310397
EOS-3-26522,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)[nH]n2)cn1,LKUQQINIFDKUKT-UHFFFAOYSA-N,3,1,0.408,58,963,454.281,3.295,5,0.388,0.66,1.0,0.49659036392296624,0.5174251250771024,0.32836166129806044,0.4483243095058598,0.4476753649509972
EOS-3-26523,Cc1cc(Oc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)ccc1Cl,FCGIZJSQUJFNQN-UHFFFAOYSA-N,3,1,0.553,13,15,432.846,5.142,5,0.391,0.81,1.0,0.9185456788431224,0.9139795079158385,0.8746573230073333,0.8754454800904667,0.8956569974641904
EOS-3-26524,Cc1cnc(-c2cc(-c3nnc4cncc(Cc5ccc(F)c(Cl)c5)n34)ccc2F)cn1,HAOQLWCVKXXAIQ-UHFFFAOYSA-N,3,1,0.402,14,358,448.864,5.079,5,0.383,0.8,1.0,0.49408025495168256,0.6357086560208347,0.9343773559043246,0.9434582962099924,0.7519061407717085
EOS-3-26525,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)nn3)n12,MVSQUDQBRHJYHN-UHFFFAOYSA-N,3,1,0.457,54,411,448.849,3.452,5,0.364,0.65,1.0,0.82473785210061,0.8386933726269619,0.5536203824275238,0.6073178671783976,0.7060923685833733
EOS-3-26526,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccn4)n23)ccc1F,VODVEGPEZIVEAE-UHFFFAOYSA-N,3,1,0.461,11,560,444.445,4.456,5,0.385,0.75,0.992,0.8247464190254267,0.7319837571105476,0.7375351243917483,0.7380662737303817,0.7580828935645261
EOS-3-26527,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)nn5)n34)cc2F)CC1,VGTQZGZCKOQIAI-UHFFFAOYSA-N,3,1,0.4,66,455,472.406,3.007,5,0.445,0.62,1.0,0.2396254540470153,0.3579346857651977,0.3430453704338291,0.3723528202316497,0.32823958261942293
EOS-3-26528,Cc1cc(-c2nnc3cncc(OCc4nc(-c5ccsc5)no4)n23)ccc1Cl,VIWWOOMIOJBJIG-UHFFFAOYSA-N,3,1,0.494,16,539,424.873,4.444,5,0.411,0.78,1.0,0.640317661572202,0.7134020971831951,0.3656449181001988,0.4292800356384072,0.5371611781235008
EOS-3-26530,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)c1,XCDPWQMYMTXIBJ-UHFFFAOYSA-N,3,1,0.55,72,22,421.873,3.937,5,0.424,0.71,1.0,0.8037660201494071,0.7319923240353643,0.5265231992324035,0.5605424576793914,0.6557060002741415
EOS-3-26531,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,UMYLPIPRLIWNJE-UHFFFAOYSA-N,3,1,0.552,88,0,448.408,4.287,5,0.386,0.69,1.0,0.9520680556507436,0.9479730655883764,0.8952864779658694,0.8920310465355356,0.9218396614351312
EOS-3-26532,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2F)nc1,JVVMNXYPCQZMPZ-UHFFFAOYSA-N,3,1,0.545,73,141,449.396,3.682,5,0.391,0.63,1.0,0.9595641148653279,0.9420704543896923,0.7351792200671647,0.7432149955451991,0.845007196216846
EOS-3-26533,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1ncccn1,WXCITHNSRFUOHX-UHFFFAOYSA-N,3,1,0.529,37,325,449.396,3.682,5,0.391,0.63,1.0,0.9566342265780275,0.9363905832362415,0.7427181139058323,0.7432235624700158,0.8447416215475293
EOS-3-26534,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4ncccc4F)cnn3)n12,SLYRHTXVFILDAL-UHFFFAOYSA-N,3,1,0.462,54,873,432.394,2.938,5,0.403,0.61,0.995,0.6798111849770406,0.5542372010143239,0.5197638955520526,0.5671047220889589,0.5802292509080941
EOS-3-26535,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccsc5)nn4)n23)cc1,DUQMCBBMVXFHCQ-UHFFFAOYSA-N,3,1,0.301,39,972,441.455,3.697,6,0.411,0.61,1.0,0.029838599136453977,0.130003084092934,0.2695068878075526,0.39167123569323553,0.20525495168254404
EOS-3-26536,Cc1nc(-c2cn(C)nc2C)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)n1,GMDQGVAPYHXUNB-UHFFFAOYSA-N,3,1,0.366,51,924,448.878,2.621,5,0.399,0.64,1.0,0.26363854430813516,0.252758549790967,0.05324343773559043,0.04508772531012268,0.15368206428620385
EOS-3-26537,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)cn4)n23)c1F,WJUKEKPIQJBATQ-UHFFFAOYSA-N,3,1,0.284,64,144,452.428,4.379,6,0.395,0.68,0.799,0.05978000137070797,0.14091734630936878,0.6689226235350558,0.7458279076142827,0.40386196970735383
EOS-3-26538,Cc1nc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)ccc1F,DZIAYBWOJYVDTC-UHFFFAOYSA-N,3,1,0.566,4,92,436.447,4.475,5,0.404,0.79,1.0,0.7038585429374272,0.7458107737646494,0.6989925296415599,0.6513004591871702,0.6999905763827017
EOS-3-26539,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)nn5)ncn4)n23)c(F)c1,HSGHRBLHEZOECA-UHFFFAOYSA-N,3,1,0.429,4,633,439.414,2.937,5,0.406,0.61,0.999,0.7343653622095813,0.8282502912754438,0.5093465149749846,0.47012713316427934,0.6355223254060722
EOS-3-26540,Cc1nnn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nc2)n1,YUTHCOKYKAUAJC-UHFFFAOYSA-N,3,1,0.528,36,677,444.846,2.575,5,0.401,0.64,0.74,0.3711448838324995,0.5978599821807964,0.32476355287506,0.3627921321362484,0.4141401377561511
EOS-3-26541,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cncs5)nn4)n23)cc1,BJTFDFKUXDOYME-UHFFFAOYSA-N,3,1,0.307,98,882,427.457,2.291,6,0.421,0.63,1.0,0.0028356521143170447,0.016285724076485503,0.06085943389760812,0.07003461037625934,0.0375038551161675
EOS-3-26542,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)cc1,ZUGIYDQKDGIHJP-UHFFFAOYSA-N,3,1,0.287,30,301,434.488,4.434,6,0.405,0.71,0.885,0.05978856829552464,0.0637379206360085,0.30626756219587414,0.41339695702830515,0.21079775203892812
EOS-3-26543,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cnncc4Cl)n23)ccc1F,KNZMMZRDGJUYSP-UHFFFAOYSA-N,3,1,0.547,37,847,451.853,2.791,5,0.387,0.63,1.0,0.7315125762456308,0.7843362346652045,0.4678568980878624,0.5275854979096704,0.627822801727092
EOS-3-26544,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cn2)c1,IPJQDCYFLPDZLB-UHFFFAOYSA-N,3,1,0.333,32,20,445.461,5.116,6,0.375,0.84,1.0,0.2011171269960935,0.3382221917620451,0.8155284079226921,0.8384020971831951,0.5483174559660065
EOS-3-26545,Clc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(-c2nncs2)n1,SQBJWGUGCRJGOZ-UHFFFAOYSA-N,3,1,0.556,58,393,436.888,3.375,5,0.373,0.67,0.983,0.6036083887327804,0.7272890823110136,0.23726954972243164,0.2930145295044891,0.46529538756767863
EOS-3-26546,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)nc1F,OKXQMPPIAWEUIV-UHFFFAOYSA-N,3,1,0.394,53,223,437.826,2.748,5,0.386,0.63,1.0,0.48413405523953124,0.5085497909670345,0.24812384346514976,0.27822801727092045,0.379758926735659
EOS-3-26547,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnccc4-c4ccccc4)n23)nc1F,SJLRPKOTCKZYSY-UHFFFAOYSA-N,3,1,0.329,30,945,449.453,3.85,6,0.377,0.68,0.379,0.20112569392091015,0.22247447056404632,0.38096257967240077,0.44185628126927556,0.3116047563566582
EOS-3-26548,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)cc1F,UZIXOGXCUVNHEN-UHFFFAOYSA-N,3,1,0.662,2,131,417.379,3.501,5,0.432,0.72,1.0,0.8732694811870331,0.7501028030978,0.7866493043657049,0.7638955520526352,0.7934792851757932
EOS-3-26549,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)cnn4)n23)cn1,HNTMYWPVIAKNPF-UHFFFAOYSA-N,3,1,0.326,86,812,451.429,2.64,6,0.398,0.6,0.316,0.13991501610581866,0.2170858748543623,0.23391131519429786,0.23676410115824822,0.20691907682818175
EOS-3-26550,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncnnc5-c5cccc(F)c5)n34)cn2)n1C,MAWXPMCKULCCNI-UHFFFAOYSA-N,3,1,0.322,10,968,464.468,3.553,6,0.389,0.66,0.993,0.2740387910355699,0.27848502501542044,0.2732849016517031,0.3149972585840587,0.28520149407168804
EOS-3-26551,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cnccn6)on5)n34)nc2)nc1,MHLXQKPDFVQUHI-UHFFFAOYSA-N,3,1,0.461,80,280,449.434,3.272,6,0.373,0.69,1.0,0.2960386539647728,0.23748372284284833,0.21953601535192926,0.19577136591049277,0.23720743951751078
EOS-3-26552,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)c(F)c1,VCMZLCZTRPXCAI-UHFFFAOYSA-N,3,1,0.595,43,293,434.862,4.563,5,0.405,0.72,1.0,0.8732780481118497,0.8669642245219656,0.8448529915701459,0.8546449866355973,0.8599350627098896
EOS-3-26553,Fc1cccc(OCc2cncc3nnc(-c4ccc(F)c(-c5cccnc5F)c4)n23)c1,ZURPBIBKUIFOBI-UHFFFAOYSA-N,3,1,0.414,57,189,433.393,4.85,5,0.371,0.84,1.0,0.7129052155438284,0.8888527174285519,0.9609519566856282,0.9608577205126447,0.8808919025426634
EOS-3-26554,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3ccc(-c4ncccn4)cn3)n12,YDGDDZUAOCWQEW-UHFFFAOYSA-N,3,1,0.517,27,343,449.396,4.299,5,0.382,0.74,1.0,0.827342197244877,0.9079483928449044,0.8870279624426016,0.8423257487492289,0.8661610753204031
EOS-3-26555,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)c1,WMDFHVOCPRHTRZ-UHFFFAOYSA-N,3,1,0.605,19,198,429.43,4.753,5,0.39,0.77,1.0,0.8091289150846412,0.7758721129463367,0.8903604961962854,0.907083133438421,0.8456111644164211
EOS-3-26556,Cc1cnc(-c2nnc3cncc(OCc4nc(-c5cc(Cl)ncn5)ns4)n23)cn1,GYJCRPDUKLBPEK-UHFFFAOYSA-N,3,1,0.361,7,828,438.864,2.431,5,0.377,0.68,1.0,0.3115533548077582,0.41001302172572135,0.02029504489068604,0.03223733808512096,0.19352468987732163
EOS-3-26557,Cn1cncc1-c1nnc2cncc(OCc3ccc(-c4nccc(C(F)(F)F)n4)cn3)n12,NPAUFJONLVEYLG-UHFFFAOYSA-N,3,1,0.457,7,69,453.388,2.975,5,0.4,0.61,1.0,0.4411280926598588,0.39096018093345214,0.722148927421013,0.5043519978068672,0.5146472997052978
EOS-3-26558,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)cc2)n(C)n1,JMRNUDLSUPSPLR-UHFFFAOYSA-N,3,1,0.324,8,927,437.431,1.328,6,0.396,0.59,1.0,0.008044342402851073,0.021674319786169557,0.008438420944417793,0.006219587416900829,0.011094167637584813
EOS-3-26559,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)nn6)cn5)n34)nc2)n1,GAEBHTISOFGPDX-UHFFFAOYSA-N,3,1,0.256,70,813,452.507,3.476,6,0.4,0.64,0.979,0.008703995613734495,0.03159481872387088,0.10646117469673086,0.09218011102734562,0.05973502501542047
EOS-3-26560,FC(F)Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cncs5)n34)c2)cn1,LMZSJMAMRUECAD-UHFFFAOYSA-N,3,1,0.477,16,256,451.462,4.091,5,0.368,0.75,1.0,0.5747035844013433,0.5783702282228771,0.6110187786991982,0.5541429648413405,0.5795588890411898
EOS-3-26561,COc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ncc(F)cn1,GBZQTGMPIWBPOA-UHFFFAOYSA-N,3,1,0.472,18,896,444.43,2.808,5,0.374,0.63,1.0,0.769858131725036,0.5542457679391406,0.2229370845041464,0.1607669111095881,0.42695197381947775
EOS-3-26562,Clc1cncc(COc2cncc3nnc(-c4cnc(-c5cncnc5)cn4)n23)c1,PSFXAAJAPHFAJI-UHFFFAOYSA-N,3,1,0.432,7,435,417.82,2.666,5,0.425,0.67,1.0,0.5977571790829964,0.54990233705709,0.3582944966074978,0.3945582893564526,0.4751280755260092
EOS-3-26563,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)c(F)c2)nn1,DVPPYUONCRAQGL-UHFFFAOYSA-N,3,1,0.506,34,607,453.84,4.097,5,0.398,0.7,1.0,0.6119868412034816,0.7587296963881845,0.8770560619560003,0.8920396134603523,0.7849530532520047
EOS-3-26564,Clc1ccc(-c2nnc3cncc(Oc4nnc(-c5ccc(Cl)nc5)nn4)n23)cc1,WBTSFRJWMRVGEA-UHFFFAOYSA-N,3,1,0.507,22,706,438.238,3.532,5,0.389,0.63,1.0,0.7160150092522788,0.870022616681516,0.3508070043177301,0.527594064834487,0.6161096737715029
EOS-3-26565,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)n[nH]4)n23)nc1Cl,UZWOXVCTEBEFAU-UHFFFAOYSA-N,3,1,0.394,65,963,437.826,2.78,5,0.403,0.64,1.0,0.5665307381262422,0.4949540812829827,0.24813241038996642,0.3239753957919265,0.4083981563977795
EOS-3-26566,Cc1nc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3cnc(F)c(F)c3)n12,TUMPTLIECHTBNF-UHFFFAOYSA-N,3,1,0.534,11,201,444.445,4.456,5,0.36,0.78,1.0,0.8956891234322527,0.8582430950585977,0.7089472962785278,0.6888235898841751,0.7879257761633883
EOS-3-26567,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccnc(Cl)c5)nn4C)n23)cc1,FKPMGSOQGUHDBA-UHFFFAOYSA-N,3,1,0.342,98,882,469.9,3.098,6,0.361,0.7,1.0,0.08129154958536083,0.21215989308477828,0.10393393187581386,0.15261119868412035,0.13749914330751833
EOS-3-26568,Cc1noc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)c(F)c2)n1,NHOWQEAZEODCHR-UHFFFAOYSA-N,3,1,0.32,99,502,471.416,2.667,6,0.365,0.72,1.0,0.45519498320882734,0.4282177369611404,0.0819426358714276,0.06327530669590843,0.25715766568432596
EOS-3-26569,c1cncc(-c2ncc(-c3cncc4nnc(-c5nccnc5-c5cccs5)n34)nn2)c1,FLQTVOLBEIADIN-UHFFFAOYSA-N,3,1,0.277,86,114,436.464,3.224,6,0.41,0.63,0.948,0.05979713522034131,0.10060139812213008,0.05880337194160784,0.10019018573093003,0.07984802275375232
EOS-3-26570,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)c1,JYGNMTWLDLNVLY-UHFFFAOYSA-N,3,1,0.326,3,289,440.854,4.347,6,0.401,0.69,1.0,0.06503152628332534,0.21216846000959497,0.5022102666027003,0.6135460215201152,0.34823906860393394
EOS-3-26571,O=C(c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(O)C5)nc4)n23)cn1)N1CCOCC1,BQUYPXMIYDTOEJ-UHFFFAOYSA-N,3,1,0.411,63,829,486.492,0.537,6,0.438,0.84,1.0,0.04366561579055582,0.005602768830100747,0.0004711808649167295,0.0007795901583167706,0.012629788910972517
EOS-3-26572,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)s2)nn1,YPXNKUAUULCPAX-UHFFFAOYSA-N,3,1,0.25,86,953,438.48,3.167,6,0.412,0.62,0.971,0.04655266945377287,0.0412497429922555,0.07330717565622644,0.09821122609827976,0.06483020355013364
EOS-3-26573,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nn2)n(C)n1,DGUBUBDMJSLJRK-UHFFFAOYSA-N,3,1,0.329,98,63,447.466,2.809,6,0.401,0.6,1.0,0.05980570214515797,0.0520012336371736,0.06677917894592557,0.07780481118497704,0.06409773147830855
EOS-3-26574,N#Cc1cc(-c2cncc(F)c2)cc(-c2nnc3cncc(Oc4ccc(Cl)cn4)n23)c1,ZPMMAYILYWCUPA-UHFFFAOYSA-N,3,1,0.396,13,412,443.829,4.705,5,0.396,0.72,1.0,0.8321825097662943,0.8352580357754781,0.9253992186964567,0.9317044753615242,0.8811360598999383
EOS-3-26575,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)ccn2)cn1,UCFBMGQCLPKREQ-UHFFFAOYSA-N,3,1,0.56,51,441,475.31,3.688,5,0.379,0.74,1.0,0.5067250359810842,0.545002056061956,0.39196251113700226,0.3179185799465424,0.4404020457816462
EOS-3-26576,Cc1cnc(-c2nnc3cncc(-c4cccc(-c5ccncn5)c4)n23)c(-c2cnccn2)c1,SLOKGLNIWZFQKY-UHFFFAOYSA-N,3,1,0.245,64,327,443.474,4.076,6,0.401,0.65,1.0,0.14537214721403605,0.037514563772188335,0.38831300116510176,0.39456685628126925,0.24144164210814884
EOS-3-26578,Cc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cn1,NUOMVSXABPHSJT-UHFFFAOYSA-N,3,1,0.467,55,879,447.861,4.323,5,0.37,0.76,1.0,0.8416917963127956,0.8205571927900761,0.7427266808306491,0.7028647796586938,0.7769601123980536
EOS-3-26579,CONC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cc(C)nn5C)nn4)n23)cc1,QEXDVKBGMCCSCA-UHFFFAOYSA-N,3,1,0.398,89,310,457.454,2.374,5,0.381,0.68,1.0,0.4645500651086286,0.15613220478377082,0.15006682201357002,0.05300356384072374,0.2059381639366733
EOS-3-26580,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)s1,XUGPLFAWBPVPSK-UHFFFAOYSA-N,3,1,0.253,99,794,428.441,2.76,6,0.416,0.62,1.0,0.11285210060996505,0.09121204852306217,0.041403947638955524,0.051701391268590226,0.07429237201014324
EOS-3-26581,COc1cc(-c2cc(C)nn2C)ccc1-c1nnc2cncc(OCc3cccc(C)n3)n12,GPCLJASYUWXFBY-UHFFFAOYSA-N,3,1,0.473,4,506,441.495,3.791,5,0.396,0.71,1.0,0.2662942910013022,0.11617606743883216,0.35081557124254675,0.17124426016037284,0.22613254746076347
EOS-3-26582,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(CO)cn5)n34)c2)cn1,CZWXIUVMCYXDHQ-UHFFFAOYSA-N,3,1,0.523,4,506,413.441,2.658,5,0.456,0.81,1.0,0.28232300733328763,0.20266774038791036,0.5468353779727229,0.4134055239531218,0.36130791241176063
EOS-3-26583,NCc1nc(-c2ccnc(COc3cncc4nnc(-c5ccccc5F)n34)c2)no1,XFGRQEWVIUNOAD-UHFFFAOYSA-N,3,1,0.535,4,539,418.392,2.413,5,0.442,0.69,1.0,0.4940888218764992,0.4194709067233226,0.17540778562127338,0.21054931121924475,0.324879206360085
EOS-3-26584,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cncnc5F)n34)c2)nn1,FEYCIEXBFYDEFE-UHFFFAOYSA-N,3,1,0.511,15,438,429.419,2.502,5,0.375,0.63,1.0,0.8345212802412446,0.7272976492358303,0.2372781166472483,0.21906483448701256,0.504540470152834
EOS-3-26585,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ncsn5)cc4)n23)c1,QNYXONGQQQCIAE-UHFFFAOYSA-N,3,1,0.667,43,293,422.42,4.167,5,0.423,0.73,1.0,0.7784935919402372,0.7412617366869988,0.8033119731341237,0.7991141799739565,0.7805453704338291
EOS-3-26586,Fc1c[nH]nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,INPWHMKRFTZGJU-UHFFFAOYSA-N,3,1,0.312,38,479,434.438,4.445,6,0.44,0.68,1.0,0.29604722088958946,0.38168220135700087,0.6662668768418888,0.6917449112466589,0.5089353025837845
EOS-3-26587,COc1ccccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cnc(C)cn4)c3)n12,IMXKBCLJMROZFJ-UHFFFAOYSA-N,3,1,0.556,11,426,456.481,4.326,5,0.36,0.76,1.0,0.9099873209512713,0.8282588582002605,0.6826554040161743,0.5507932972380234,0.7429237201014323
EOS-3-26588,Fc1ccc(-c2nocc2-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1,IRDLZXLWJGTMIS-UHFFFAOYSA-N,3,1,0.342,10,620,425.387,3.228,6,0.423,0.66,1.0,0.029847166061270646,0.11038482626276472,0.3809711465972175,0.4671287094784456,0.24708296209992459
EOS-3-26589,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)cn5)ncc4Cl)n23)cc1,YDWJGWFIUITSIQ-UHFFFAOYSA-N,3,1,0.524,89,805,453.893,4.661,5,0.381,0.76,1.0,0.9455400589404427,0.9301795627441574,0.8400126790487287,0.8223048454526763,0.8845092865465012
EOS-3-26590,COCCCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cn1,CTHBSKWOHQEROP-UHFFFAOYSA-N,3,1,0.675,90,636,423.904,4.04,4,0.378,0.77,1.0,0.6977160578438764,0.8205657597148928,0.45003769446919334,0.47328832842162977,0.610401960112398
EOS-3-26591,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cn1,MKSHNSUGLVRWHL-UHFFFAOYSA-N,3,1,0.477,7,720,430.859,3.579,5,0.416,0.6,1.0,0.4090021245973545,0.48547906243574807,0.4065948187238709,0.40363922966212046,0.4261788088547735
EOS-3-26592,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cn4)n23)ccc1Cl,JKJIXAMSFKXBFU-UHFFFAOYSA-N,3,1,0.583,4,850,434.843,4.082,5,0.394,0.72,1.0,0.682766774038791,0.7412703036118155,0.6853454184086081,0.6040538688232472,0.6783590912206154
EOS-3-26593,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4cnc5ccccc5c4)n23)nc1,QKXXGCVBQHDINM-UHFFFAOYSA-N,3,1,0.297,42,902,420.411,3.998,6,0.427,0.7,1.0,0.3037831539990405,0.4282263038859571,0.42467103008703994,0.5346018093345213,0.4228205743266397
EOS-3-26594,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)nn1,UJYZCMQQIBFXMD-UHFFFAOYSA-N,3,1,0.548,72,922,435.9,3.98,5,0.398,0.66,1.0,0.789639161126722,0.8520406414913303,0.35830306353231445,0.4197621821670893,0.604936262079364
EOS-3-26595,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5nnsn5)nc4)n23)ccc1Cl,BIMPEFFJUXOXMT-UHFFFAOYSA-N,3,1,0.588,16,391,440.851,3.471,5,0.409,0.65,1.0,0.7840877938455212,0.8613528887670482,0.502218833527517,0.592222945651429,0.6849706154478787
EOS-3-26596,Clc1cccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)c1,XXFJNSXMJJUSMA-UHFFFAOYSA-N,3,1,0.366,32,957,463.892,4.421,6,0.378,0.74,1.0,0.13219621684600097,0.31422623535055855,0.5093550818998013,0.6278527859639503,0.39590758001507775
EOS-3-26597,CC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4F)n23)cn1,VGVMJENZXPOPLH-UHFFFAOYSA-N,3,1,0.373,47,478,422.374,3.889,5,0.472,0.67,1.0,0.33663731067096153,0.49961448838324996,0.917937427181139,0.8460609279692961,0.6500625385511617
EOS-3-26598,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nn2C)cnn1,HBNYLTKTLFSWFE-UHFFFAOYSA-N,3,1,0.385,92,105,434.851,2.313,5,0.41,0.61,0.76,0.22034130628469606,0.28362517990542113,0.11481392639298198,0.11589335891988212,0.1836684428757453
EOS-3-26599,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccnc(F)c5)n4)n23)cn1,LKLTVPKTKUXBBD-UHFFFAOYSA-N,3,1,0.344,50,974,428.391,1.599,5,0.423,0.57,0.155,0.16217188677952163,0.1845315605510246,0.10921115756288123,0.09616373106709615,0.13801958399013092
EOS-3-26600,Clc1ccnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnccn6)nn5)n34)cc2)n1,GSYQYYUPJMJXLO-UHFFFAOYSA-N,3,1,0.34,42,620,453.857,2.939,6,0.37,0.66,1.0,0.00805290932766774,0.11618463436364883,0.2159122061544788,0.2901360427660887,0.15757144815297103
EOS-3-26601,Cc1cc(-c2ncccc2-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)nn1C,KURJXAAAQZWWRP-UHFFFAOYSA-N,3,1,0.3,85,60,432.438,3.819,5,0.42,0.64,0.999,0.14841340552395313,0.18454012747584128,0.5197724624768693,0.4577136591049277,0.3276099136453978
EOS-3-26602,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)cn1,JDGUUTGZMCKEQL-UHFFFAOYSA-N,3,1,0.517,20,353,430.447,3.051,5,0.408,0.63,1.0,0.7315211431704476,0.6940494140223425,0.2955075046261394,0.24262387773284902,0.49092548488794463
EOS-3-26603,CCOc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,JOFHKZBFOLWYTJ-UHFFFAOYSA-N,3,1,0.324,52,269,480.532,3.545,6,0.379,0.81,1.0,0.19016003015557537,0.07466931670207662,0.14681139058323625,0.1314166266876842,0.1357643410321431
EOS-3-26604,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1F,NOYFSJRVQZMVAB-UHFFFAOYSA-N,3,1,0.5,73,911,453.84,4.097,5,0.398,0.67,1.0,0.7284970187101638,0.762893221849085,0.8870365293674183,0.8810054142964842,0.8148580460557879
EOS-3-26605,Fc1cnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nc[nH]n5)c4)n23)c(Cl)c1,SJNJUYUCSKIWPE-UHFFFAOYSA-N,3,1,0.484,47,164,454.828,3.525,5,0.418,0.62,1.0,0.9051898430539373,0.8888612843533685,0.6497669796449866,0.7193818107052292,0.7907999794393805
EOS-3-26606,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnc2Cl)nn1,CMNXYGLKOLSIJX-UHFFFAOYSA-N,3,1,0.538,87,796,444.886,3.622,5,0.366,0.67,1.0,0.6827753409636077,0.8128726612295251,0.30276368994585706,0.31500582550887535,0.5283543794119663
EOS-3-26607,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,MWQKJNWFZJVBCO-UHFFFAOYSA-N,3,1,0.449,18,207,444.886,3.622,5,0.366,0.67,1.0,0.6373363717360017,0.6599359194023713,0.45384140908779386,0.444991775752176,0.5490263689945857
EOS-3-26608,Cc1cnc(C)c(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)c1,KUSVLAQAKHPDEX-UHFFFAOYSA-N,3,1,0.489,4,205,443.898,4.493,5,0.395,0.76,1.0,0.5921801110273456,0.6697022136933726,0.5567815776848742,0.5043605647316839,0.580756116784319
EOS-3-26609,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(C(F)(F)F)nn4-c4ncccn4)n23)nc1,JTIXVPBXQBCUSL-UHFFFAOYSA-N,3,1,0.298,33,432,480.414,2.598,5,0.407,0.7,1.0,0.07679391405661024,0.11336611609896512,0.3583116304571311,0.20471523541909395,0.1882967240079501
EOS-3-26610,Cc1csc(COc2cncc3nnc(-c4cccc(-c5ncc(F)cn5)c4)n23)n1,XLGXLBFYLLDPEZ-UHFFFAOYSA-N,3,1,0.57,4,921,419.445,3.731,5,0.429,0.76,1.0,0.5273541909396203,0.5042577616338839,0.2517819203618669,0.23379994517168118,0.37929845452676314
EOS-3-26611,Cc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cc1F,QVIDTRVBBWUEPI-UHFFFAOYSA-N,3,1,0.319,30,945,448.465,4.549,6,0.393,0.69,1.0,0.007496059214584333,0.17180111027345624,0.6469484613803029,0.6456634226578027,0.3679772633815366
EOS-3-26612,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cncnn6)n5)n34)cc2)nc1,PBGVNWGAMSZTQU-UHFFFAOYSA-N,3,1,0.286,98,927,420.4,1.681,6,0.414,0.65,1.0,0.015480433143718731,0.017887739017202385,0.03580117880885477,0.06653930505105887,0.03392716400520869
EOS-3-26613,COc1cc(-c2nnc3cncc(OCc4ccc(-c5nonc5CO)nc4)n23)ccc1Cl,NYJOUNNLFLCPSO-UHFFFAOYSA-N,3,1,0.474,16,67,465.857,2.97,5,0.382,0.69,1.0,0.6735658967856898,0.6258138578575835,0.38097971352203414,0.3432766774038791,0.5059090363922967
EOS-3-26614,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)cn1,TYCMPGCMABBENB-UHFFFAOYSA-N,3,1,0.298,70,812,434.467,3.049,6,0.42,0.6,1.0,0.09062949763552874,0.04841169213898979,0.21263107394969502,0.17387430607908985,0.13138664245082585
EOS-3-26616,Cc1noc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nc(C)no6)nn5C)n34)nc2)n1,GLTCFGUPOZJJSL-UHFFFAOYSA-N,3,1,0.323,86,330,457.414,2.429,6,0.372,0.71,1.0,0.29605578781440617,0.1161932012884655,0.014109725173051882,0.004703241724350627,0.10776548900006853
EOS-3-26617,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4ncn(C)n4)cc(F)n3)n12,KUKHVTJAZXCACL-UHFFFAOYSA-N,3,1,0.417,31,105,434.439,1.784,5,0.372,0.65,0.994,0.35764341032143104,0.29911417997395656,0.04614145706257282,0.03339387293537112,0.18407323007333287
EOS-3-26618,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)c1,SXBZKYJTUQJAMH-UHFFFAOYSA-N,3,1,0.402,54,643,434.41,3.322,5,0.404,0.64,0.951,0.43395757658830786,0.33823075868686175,0.6230553080666164,0.6073264341032143,0.50064251936125
EOS-3-26619,Cc1nccc(COc2cncc3nnc(-c4cccc(-c5ncc(C)n5C)c4)n23)c1F,RFKIAAXSJQAXJI-UHFFFAOYSA-N,3,1,0.477,16,606,429.459,3.922,5,0.421,0.65,1.0,0.4965989308477829,0.3862826399835515,0.5093636488246179,0.3850747035844013,0.44432998081008845
EOS-3-26620,COCn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c2)n1,YBPBKWUMBPKQBX-UHFFFAOYSA-N,3,1,0.305,25,508,462.477,3.173,6,0.367,0.7,1.0,0.17023336303200604,0.10060996504694675,0.12891508464121718,0.14252792817490234,0.13557158522376808
EOS-3-26621,Cc1n[nH]c(-c2cc(Cl)cc(-c3nnc4cncc(OCc5nccs5)n34)c2)n1,CLLQFSOBVQOMOM-UHFFFAOYSA-N,3,1,0.662,4,677,424.877,3.574,5,0.459,0.67,1.0,0.35975944075114796,0.5499109039819067,0.21954458227674595,0.2573932561167843,0.3466520457816462
EOS-3-26622,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cn1,BUGXJNQPXKQMHQ-UHFFFAOYSA-N,3,1,0.319,86,664,454.885,3.488,6,0.375,0.68,0.947,0.019018573093002537,0.13342128709478446,0.2809351655129875,0.3239839627167432,0.1893397471043794
EOS-3-26623,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)cc4)n23)cc1F,QLBWKAGOCWMNCS-UHFFFAOYSA-N,3,1,0.562,89,230,425.427,3.782,5,0.425,0.66,1.0,0.9083681721609211,0.8352666027002947,0.8416917963127956,0.7969039133712562,0.8455576211363169
EOS-3-26624,Fc1cc(Cl)cnc1-c1cnc(COc2cncc3nnc(-c4ccco4)n23)cn1,IEQRSKFSPOWGDM-UHFFFAOYSA-N,3,1,0.448,46,128,423.795,3.608,5,0.422,0.67,1.0,0.4667945994105956,0.38629120690836816,0.4711037625933795,0.5276026317593037,0.4629480501679117
EOS-3-26625,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)ncn4)n23)cn1,KOROFAPEBLSGSU-UHFFFAOYSA-N,3,1,0.43,7,185,456.47,1.624,5,0.404,0.61,1.0,0.38962374066205196,0.17180967719827292,0.04615002398738949,0.011685285449934892,0.15481718182441231
EOS-3-26626,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)nn1,VRDPZMPRPBEMPE-UHFFFAOYSA-N,3,1,0.529,36,32,419.836,2.609,5,0.427,0.65,1.0,0.46680316633541225,0.7365413611130148,0.25872112946336784,0.3118446302515249,0.44347757179082997
EOS-3-26627,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)o4)n23)cc1,JGBZSLBQQXXFEX-UHFFFAOYSA-N,3,1,0.329,39,176,437.398,3.499,6,0.408,0.63,0.999,0.2689243369200192,0.2631330957439518,0.3620896443012816,0.4450003426769927,0.3347868549105613
EOS-3-26628,Cc1nccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)n1,UCWVVHGEDNGAEH-UHFFFAOYSA-N,3,1,0.487,13,412,415.844,4.397,5,0.429,0.81,1.0,0.7980861489959564,0.8987132478925365,0.605218970598314,0.5890189157699952,0.7227593208142005
EOS-3-26629,Cc1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ncc(Cl)cc4F)n23)nc1,JBODQDSLVVYFTM-UHFFFAOYSA-N,3,1,0.28,50,844,420.839,3.75,5,0.442,0.69,1.0,0.14842197244876978,0.2734219724487698,0.42800356384072374,0.5144952367898019,0.3410856863820163
EOS-3-26630,Cn1nncc1-c1cccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,KLSDDKAMQXUIGT-UHFFFAOYSA-N,3,1,0.494,13,145,421.823,4.172,5,0.433,0.71,1.0,0.4619200191899116,0.5683640600370091,0.7730450277568364,0.8056079089849908,0.652234253992187
EOS-3-26631,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc(Cl)n1,BOAVRFHDCYDNPD-UHFFFAOYSA-N,3,1,0.446,7,94,455.269,2.658,5,0.368,0.67,0.451,0.30888047426495785,0.41947947364813926,0.21592077307929547,0.29302309642930574,0.3093259543554246
EOS-3-26632,Cn1cnc(-c2cc(CO)nc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)c1,JOOAXZVCTVZREY-UHFFFAOYSA-N,3,1,0.484,31,796,428.456,2.096,5,0.419,0.62,1.0,0.3736035912548831,0.1637996024946885,0.17209238571722293,0.12272976492358303,0.20805633609759439
EOS-3-26633,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccccc5F)n34)n2)n1C,NJXDPZYNNFEVMS-UHFFFAOYSA-N,3,1,0.518,4,268,416.42,3.008,5,0.435,0.72,1.0,0.4112295250496882,0.4996230553080666,0.1410458501816188,0.1685628126927558,0.30511531080803234
EOS-3-26634,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ncccc4Cl)nc3)n12,VDNCQRLQHIFEQK-UHFFFAOYSA-N,3,1,0.675,11,732,446.873,4.662,5,0.377,0.75,1.0,0.917063600849839,0.9490610650400932,0.7707833596052361,0.8165735727503255,0.8633703995613734
EOS-3-26635,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)n(C)n4)n23)c1F,OBWDQLCWCOCFJR-UHFFFAOYSA-N,3,1,0.402,95,694,434.41,3.147,5,0.392,0.67,1.0,0.3805599342060174,0.3241981358371599,0.5501165101775067,0.4790967034473305,0.43349282091700364
EOS-3-26636,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)[nH]4)n23)cc1,QWOQCMBPCXDBAW-UHFFFAOYSA-N,3,1,0.309,67,890,455.873,3.087,6,0.401,0.64,1.0,0.15130045918717017,0.2527671167157837,0.2265009252278802,0.3087005688438078,0.23481726749366047
EOS-3-26637,Clc1cc2c(cc1COc1cncc3nnc(-c4ccc(-c5ncccn5)cc4)n13)OCO2,CDJQKRPOQRJRKF-UHFFFAOYSA-N,3,1,0.512,97,300,458.865,4.209,6,0.386,0.68,1.0,0.9346686313480913,0.8387019395517785,0.7613426084572682,0.6946662326091426,0.8073448529915701
EOS-3-26638,CCc1nn(C)cc1-c1cncc2nnc(-c3cc(C(F)(F)F)cc(F)c3CNC3COC3)n12,VZLFNVYNAGZRNY-UHFFFAOYSA-N,3,1,0.292,66,792,475.45,3.401,5,0.431,0.7,0.917,0.20113426084572683,0.2527756836406004,0.87466588993215,0.792346309368789,0.5302305359468166
EOS-3-26639,c1cncc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)c1,OUXKEGSDSRPRLA-UHFFFAOYSA-N,3,1,0.438,40,763,448.45,3.007,6,0.408,0.6,1.0,0.4717034473305462,0.4053354807758207,0.23728668357206498,0.2367726680830649,0.3377745699403742
EOS-3-26641,Cc1cncc(COc2cncc3nnc(-c4ccnc(-c5nc(C)n(C)n5)c4)n23)c1F,KBSQDDMIJFTZTG-UHFFFAOYSA-N,3,1,0.482,7,359,431.435,2.712,5,0.418,0.62,0.998,0.43180727845932426,0.32420670276197655,0.15606366938523747,0.11812075937221575,0.2575496024946885
EOS-3-26643,Cc1cc(COc2cncc3nnc(-c4cnc(-c5ccc(F)cn5)nc4)n23)cc(N(C)C)n1,SXZNTMGPGYTFJK-UHFFFAOYSA-N,3,1,0.451,55,85,457.473,3.131,5,0.38,0.65,1.0,0.4480673017613597,0.34344801590021246,0.23391988211911452,0.1087399766979645,0.28354379411966274
EOS-3-26644,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnncn5)cc4F)n23)c(F)cn1,PIZCOJJNTZALTP-UHFFFAOYSA-N,3,1,0.451,73,772,436.357,3.035,5,0.387,0.65,1.0,0.884903365088068,0.8387105064765952,0.8515266260023302,0.8282931258995271,0.8508584058666301
EOS-3-26645,Fc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccn1,MCGODVPOXSRNDG-UHFFFAOYSA-N,3,1,0.62,97,232,432.846,4.62,5,0.377,0.78,1.0,0.962810979370845,0.9748903433623467,0.8690888218764992,0.8781012267836338,0.9212228428483311
EOS-3-26646,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)nn1)N1CCCCC1,NUJKUNGVJJTWQZ-UHFFFAOYSA-N,3,1,0.34,52,821,480.507,4.076,6,0.382,0.84,0.988,0.02647179768350353,0.06374648756082517,0.004634706325817284,0.06029401685970804,0.038786752107463504
EOS-3-26647,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(CO)nc5)n34)cn2)n1,PMTWJIYYDGCIOQ-UHFFFAOYSA-N,3,1,0.467,7,205,426.44,2.418,5,0.436,0.64,1.0,0.48662703036118155,0.40534404770063737,0.2339284490439312,0.15512987458022068,0.3202573504214927
EOS-3-26648,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cc1,VOWNTYBPSKWQLO-UHFFFAOYSA-N,3,1,0.354,98,890,422.416,1.624,6,0.416,0.64,1.0,0.0005054485641834008,0.010451648276334727,0.06288979507915839,0.07404393119045988,0.0369727057775341
EOS-3-26649,Cc1cc(COc2cncc3nnc(-c4cccc(-c5nc(C)nn5C)c4)n23)n(C)n1,HXHZICDCGKIYNM-UHFFFAOYSA-N,3,1,0.456,36,662,415.461,2.516,5,0.435,0.75,1.0,0.23128126927558085,0.14451545473236926,0.044368103625522584,0.019840997875402645,0.11000145637721884
EOS-3-26650,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)cc1,JAUMCHNSRWETLL-UHFFFAOYSA-N,3,1,0.512,36,734,467.415,3.458,5,0.374,0.69,1.0,0.5477606058529231,0.5835617846617778,0.6662754437667056,0.48537625933794804,0.5707435234048386
EOS-3-26651,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)nc1,NOISBLYTBQPIGO-UHFFFAOYSA-N,3,1,0.489,59,666,434.381,4.245,5,0.385,0.72,1.0,0.8903776300459187,0.8490165170310465,0.92451682544034,0.9150161058186553,0.8947317695839901
EOS-3-26652,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2)nn1,SZASQDDASFLJFM-UHFFFAOYSA-N,3,1,0.38,51,924,420.824,2.004,5,0.42,0.65,0.989,0.27954732369268726,0.3434565828250291,0.09394489753957919,0.10874854362278116,0.20642433692001919
EOS-3-26653,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)ncn2)cn1,ZAKHTIRWQRPWOK-UHFFFAOYSA-N,3,1,0.374,7,113,445.874,3.283,5,0.401,0.62,0.973,0.5246984442464533,0.490045233363032,0.3283702282228771,0.2810893701596875,0.4060508189980125
EOS-3-26654,COCc1ccc(-c2cc(-c3nnc4cncc(Cc5ccc(Cl)cn5)n34)ccn2)cn1,XETHFDYKUHDMSC-UHFFFAOYSA-N,3,1,0.356,14,81,443.898,4.034,5,0.391,0.67,1.0,0.37361215817969984,0.37201014323898296,0.5701031457747927,0.560551024604208,0.4690691179494209
EOS-3-26655,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)o4)n23)cn1,RGHPGFSAONWAMA-UHFFFAOYSA-N,3,1,0.279,99,601,426.404,1.432,6,0.406,0.62,0.878,0.04967103008703996,0.06736172983345898,0.01411829209786855,0.01297889109725173,0.036032485778904805
EOS-3-26656,CCOc1cnc(COc2cncc3nnc(-c4cnc(COC)c(F)c4)n23)cc1C,CCYOHHQGGXPGQI-UHFFFAOYSA-N,3,1,0.483,90,555,424.436,3.153,4,0.426,0.67,1.0,0.5607137961757248,0.5783787951476937,0.40660338564868753,0.22798300322116374,0.44341974504831744
EOS-3-26657,N#Cc1cc(F)cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)c1,RHPUZPRVANSZJT-UHFFFAOYSA-N,3,1,0.413,97,160,457.856,4.491,5,0.383,0.71,1.0,0.7785021588650538,0.718096771982729,0.9151874443149887,0.92549345486944,0.8343199575080529
EOS-3-26658,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)n1,RZYHNPZYWMISMI-UHFFFAOYSA-N,3,1,0.457,20,359,434.851,2.047,5,0.395,0.62,1.0,0.4297169488040573,0.454920841614694,0.05881193886642451,0.07604859159756014,0.254874580220684
EOS-3-26659,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1cn(C)cn1,FLNFFOSYRUMIII-UHFFFAOYSA-N,3,1,0.617,13,209,450.861,4.785,5,0.383,0.79,1.0,0.8273507641696937,0.7716571859365362,0.8811339181687341,0.8303491878555274,0.8276227640326228
EOS-3-26660,COc1nc(-c2cnc(C)nn2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,SQTAAOVNQMQQAS-UHFFFAOYSA-N,3,1,0.33,52,295,479.504,2.915,6,0.39,0.75,1.0,0.21765129189226234,0.07467788362689329,0.055256665067507364,0.04374271811390583,0.0978321396751422
EOS-3-26661,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ccn2)ccn1,MFUFTJDFGWKAJA-UHFFFAOYSA-N,3,1,0.505,11,278,431.406,3.543,5,0.38,0.67,1.0,0.7924919470906723,0.7087588239325612,0.6612295250496881,0.642690699746419,0.7012927489548352
EOS-3-26662,COc1ccc(-c2ncsc2COc2cncc3nnc(-c4cc(F)ccc4F)n23)nn1,SFDKPRXZBUFOKE-UHFFFAOYSA-N,3,1,0.456,34,389,453.434,3.571,5,0.385,0.67,0.934,0.6827839078884244,0.7226886436844631,0.3993986018778699,0.397565279967103,0.5506091083544651
EOS-3-26663,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cc2)c1,NCAIZNZUADQUCD-UHFFFAOYSA-N,3,1,0.333,69,220,429.487,4.921,6,0.398,0.81,1.0,0.11005071619491467,0.08829072716057844,0.6662840106915222,0.6655386882324721,0.38254103556987185
EOS-3-26664,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ncc(Cl)cn5)n34)nn2)cc1,VODKRHYAMYDNKU-UHFFFAOYSA-N,3,1,0.299,10,872,471.847,3.079,6,0.381,0.67,0.45,0.04367418271537249,0.17181824412308958,0.2587296963881845,0.41341409087793846,0.22190905352614626
EOS-3-26665,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5cccnn5)nn5cccc45)n23)cn1,FFEUCXNVVUTVSL-UHFFFAOYSA-N,3,1,0.356,53,826,436.439,2.573,6,0.401,0.62,1.0,0.4003409636077034,0.2577273661846344,0.1317336029059009,0.13347268864368447,0.23081865533548077
EOS-3-26666,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cn4)n23)cnn1,YHCVFWGFTIJBEL-UHFFFAOYSA-N,3,1,0.297,98,112,467.884,3.154,6,0.384,0.65,0.998,0.07298163251319306,0.18454869440065794,0.18826673977109176,0.34977897333972996,0.1988940100061682
EOS-3-26667,Clc1cnc(Oc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c(Cl)c1,UQQBHALSBZPOHW-UHFFFAOYSA-N,3,1,0.429,24,912,436.262,4.742,5,0.402,0.74,1.0,0.6343293811253512,0.645192241792886,0.6524826948118704,0.7218490850524296,0.6634633506956343
EOS-3-26668,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cncs5)nn4)n23)cn1,QBOXIEKNDOMSGZ-UHFFFAOYSA-N,3,1,0.264,99,312,428.445,1.686,6,0.411,0.63,1.0,0.005071619491467343,0.028750599684737168,0.02208553217736961,0.025623672126653417,0.020382855870056886
EOS-3-26669,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(Cl)c6)n5)n34)cc2)nn1,YIOBABPVVCELKW-UHFFFAOYSA-N,3,1,0.311,3,289,465.908,4.458,6,0.379,0.74,0.999,0.03486738400383798,0.21217702693441162,0.4318244123089576,0.5176992666712357,0.29914202247961075
EOS-3-26670,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ccn4)n23)cn1,WTVKCNGSHHXGCM-UHFFFAOYSA-N,3,1,0.465,18,160,431.406,3.543,5,0.38,0.66,1.0,0.7523559043245837,0.607360701802481,0.7273404838599137,0.7055290932766775,0.698146545815914
EOS-3-26671,OCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)cc1,PLCYUTJEPXFWRW-UHFFFAOYSA-N,3,1,0.517,89,770,416.466,3.381,5,0.453,0.79,1.0,0.712913782468645,0.6170070591460489,0.4170207662257556,0.3497875402645466,0.524182287026249
EOS-3-26672,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(C(F)F)nc1,BKFNJCBKWXRKTI-UHFFFAOYSA-N,3,1,0.469,95,493,448.437,3.541,5,0.376,0.7,1.0,0.41123809197450484,0.31423480227537526,0.5988023439106298,0.4912189020629155,0.45387353505585637
EOS-3-26673,Fc1ccc(-c2nccnc2COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1,HMJAANWOZVJJMB-UHFFFAOYSA-N,3,1,0.438,40,425,466.44,3.147,6,0.393,0.65,1.0,0.7671938181070523,0.6073692687272977,0.29551607155095605,0.2930316633541224,0.4907777054348571
EOS-3-26674,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cnn1,QFGPMOLHSGAOMH-UHFFFAOYSA-N,3,1,0.517,2,419,430.859,3.579,5,0.416,0.62,1.0,0.39175690494140225,0.5499194709067233,0.5231478308546365,0.5240987595092865,0.49723074155301217
EOS-3-26676,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)c(Cl)c1,YBNQFMAAXGVODT-UHFFFAOYSA-N,3,1,0.516,18,361,454.881,3.79,5,0.38,0.67,1.0,0.8772531012267837,0.8088719073401411,0.7221574943458297,0.7535038722500171,0.7904465937906928
EOS-3-26677,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnnc5)nn4)n23)nc1,FZYDIFSFVOANOU-UHFFFAOYSA-N,3,1,0.26,99,813,434.427,1.896,6,0.404,0.57,1.0,0.03636659584675485,0.014846480707285312,0.08692858611472826,0.09026111986841204,0.057100695634295116
EOS-3-26678,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)nc2)cc1,DFFGREXZUHDTHT-UHFFFAOYSA-N,3,1,0.324,30,301,418.42,3.965,6,0.423,0.76,1.0,0.14281920361866904,0.09435610993077925,0.36565348502501543,0.419770749091906,0.2556498869165924
EOS-3-26679,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)no1,DHSHIOCIMDFGDX-UHFFFAOYSA-N,3,1,0.304,86,812,423.4,2.094,6,0.414,0.64,1.0,0.07110547597834281,0.05200980056199027,0.05882050579124118,0.06838119388664245,0.06257924405455417
EOS-3-26680,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cccnn1,SEVGRPUFUHHLBZ-UHFFFAOYSA-N,3,1,0.505,72,639,447.861,4.057,5,0.362,0.72,1.0,0.9239257076279899,0.9363991501610582,0.6662925776163389,0.7114317044753615,0.8095122849701872
EOS-3-26681,Cc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,ZYTOAIQQXICLHY-UHFFFAOYSA-N,3,1,0.44,55,283,432.875,3.523,5,0.392,0.69,1.0,0.5832533753683777,0.5594116236035912,0.3919710780618189,0.34012404907134536,0.4686900315262833
EOS-3-26682,Cn1cnnc1-c1cncc(-c2cccc(-c3nnc4cncc(OCc5ccncc5)n34)c2)c1,LVPQDPBJQISQIQ-UHFFFAOYSA-N,3,1,0.472,40,78,461.489,3.623,6,0.37,0.7,1.0,0.42275203892810637,0.19796449866355972,0.43183297923377423,0.39757384689191966,0.36253084092934
EOS-3-26683,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)n6)cn5)n34)cc2F)n1C,UHVKQAUNRMUPNI-UHFFFAOYSA-N,3,1,0.318,98,968,466.484,3.497,6,0.392,0.64,0.999,0.26630285792611885,0.2991227468987732,0.37349222123226644,0.315014392433692,0.31348305462271264
EOS-3-26684,Cn1cc(-c2nnc3cncc(OCCc4nccnc4F)n23)cc(-c2ccnc(F)c2)c1=O,MYCMAXOTKHQKDR-UHFFFAOYSA-N,3,1,0.429,87,552,462.42,2.242,5,0.353,0.69,1.0,0.3759423617298335,0.14452402165718595,0.3468747858268796,0.3593567952847646,0.30667449112466594
EOS-3-26685,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cn5)n34)nc2)n1,PEDJGMRMNTYALL-UHFFFAOYSA-N,3,1,0.289,86,114,451.429,2.64,6,0.398,0.59,0.749,0.18432595435542456,0.24288945240216572,0.11776951545473237,0.14992118429168666,0.17372652662600233
EOS-3-26686,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)cc5F)n34)nc2)n1,ODUAIGJNIYVMEJ-UHFFFAOYSA-N,3,1,0.287,70,377,451.429,2.64,6,0.398,0.59,1.0,0.09294256733602906,0.18054794051127407,0.317541635254609,0.31502295935850866,0.2265137756151052
EOS-3-26687,Cc1cnnc(COc2cncc3nnc(-c4cc(-c5cn(C)nc5C(F)F)ccn4)n23)c1,HMYWXDISJHEEQT-UHFFFAOYSA-N,3,1,0.394,92,544,449.425,3.202,5,0.389,0.68,0.947,0.26100849838941814,0.23240353642656433,0.4394661092454253,0.3087091357686245,0.31039681995750806
EOS-3-26688,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ncn5)cc4)n23)cc1,AOEOMVOIPPSILV-UHFFFAOYSA-N,3,1,0.667,1,326,416.391,4.106,5,0.402,0.81,1.0,0.9809814269069974,0.9364077170858749,0.8940357069426359,0.8795319032280172,0.9227391885408814
EOS-3-26689,CCOc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cnn(C)c1,BSKPAJZUCMXWSY-UHFFFAOYSA-N,3,1,0.448,49,773,442.483,3.002,5,0.361,0.7,0.992,0.30635323144404086,0.085026728805428,0.18827530669590845,0.10232335001028031,0.1704946542389144
EOS-3-26690,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(C)nc5F)n34)c2)cn1,JCQICZQOTXQWCO-UHFFFAOYSA-N,3,1,0.415,7,720,428.431,3.373,5,0.393,0.67,1.0,0.5607223631005415,0.4592128709478446,0.41316565005825506,0.302198272907957,0.43382478925364953
EOS-3-26691,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ncc1-c1ccccn1,KCAVXJOSNFGREZ-UHFFFAOYSA-N,3,1,0.586,11,159,442.454,4.018,5,0.376,0.67,1.0,0.792500514015489,0.6170156260708656,0.620099719004866,0.5508018641628402,0.6451044308135152
EOS-3-26692,Clc1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnn5)nn4)n23)cc1,ZPIXQXRNJZVQHE-UHFFFAOYSA-N,3,1,0.425,14,487,414.86,3.477,5,0.434,0.75,1.0,0.41570145980398876,0.6647847988486053,0.25513158796518404,0.4101843602220547,0.4364505517099582
EOS-3-26693,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)cc1,PYDRKTUUMIIJCZ-UHFFFAOYSA-N,3,1,0.588,43,178,435.85,3.958,5,0.415,0.64,1.0,0.6947433349324926,0.7545833047769173,0.8033205400589405,0.8184325954355425,0.7677699438009733
EOS-3-26694,Fc1cnc(Cl)cc1-c1nnc2cncc(Cc3ccc(-c4cccnc4)nn3)n12,IYBYVBLHWTYHCA-UHFFFAOYSA-N,3,1,0.354,85,81,418.823,3.422,5,0.412,0.7,1.0,0.33893324652182855,0.3909687478582688,0.5265317661572202,0.622241450209033,0.4696688026865876
EOS-3-26695,Cc1noc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)n2)n1,REIIZLITEXQEOY-UHFFFAOYSA-N,3,1,0.358,32,126,450.437,4.413,6,0.389,0.72,1.0,0.2554228634089507,0.3816907682818176,0.3957319580563361,0.44833287643067643,0.37029461654444523
EOS-3-26696,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1,ZVRJVEQWYMKZRF-UHFFFAOYSA-N,3,1,0.435,59,153,448.408,4.553,5,0.367,0.77,1.0,0.7840963607703378,0.7458193406894661,0.9391576999520252,0.9117606743883215,0.8452085189500376
EOS-3-26697,Cn1nccc1-c1cncc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,ZEIGVKSBEJOZSC-UHFFFAOYSA-N,3,1,0.675,84,73,415.432,3.347,5,0.423,0.79,1.0,0.5220341306284696,0.45492940853951064,0.6052275375231307,0.5638921252827085,0.536520800493455
EOS-3-26698,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)nn1,JFJJYQHRYASODI-UHFFFAOYSA-N,3,1,0.518,72,418,421.873,3.937,5,0.424,0.72,1.0,0.47686073607018026,0.5636779521622918,0.35470495510931394,0.4006579398259201,0.4489753957919265
EOS-3-26699,Cc1nc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1nccn1C,DAQCVRMBQFKFMK-UHFFFAOYSA-N,3,1,0.4,46,128,450.865,3.662,5,0.403,0.65,0.998,0.5067336029059009,0.517433692001919,0.3694657665684326,0.3820505791241176,0.4439209101500925
EOS-3-26701,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,ARBOVHGYUXQBRZ-UHFFFAOYSA-N,3,1,0.295,32,339,419.408,3.36,6,0.423,0.69,0.999,0.12079363991501611,0.03470461243232129,0.2090672332259612,0.28109793708450415,0.16141585566445069
EOS-3-26702,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cn(C)nn6)n5)n34)cn2)nn1,HMZQRZMXCYOPNH-UHFFFAOYSA-N,3,1,0.31,76,14,447.466,2.809,6,0.401,0.59,0.996,0.021091768898636145,0.031603385648687546,0.10134672058118017,0.09409910218627922,0.06203524432869577
EOS-3-26703,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)c(F)c4)n23)n1,RQIUWAMWUNHQRE-UHFFFAOYSA-N,3,1,0.517,4,677,434.46,3.435,5,0.414,0.64,1.0,0.5693492563909259,0.6357172229456515,0.1882838736207251,0.15798266054417107,0.3878332533753684
EOS-3-26704,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)cc4F)n23)n1,SQHLSKAZMPFAMI-UHFFFAOYSA-N,3,1,0.489,4,677,434.46,3.435,5,0.414,0.64,1.0,0.5167483380165856,0.6214961277499829,0.18829244054554178,0.15513844150503736,0.3704188369542869
EOS-3-26705,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cnn1,IUEIRBJSERFEEP-UHFFFAOYSA-N,3,1,0.284,99,112,452.417,2.035,6,0.365,0.61,0.868,0.12364642587896649,0.2072596120896443,0.13174216983071757,0.18759851963539168,0.16256168185868
EOS-3-26706,Clc1ccc(-c2nnc3cncc(OCc4cnn(-c5cc(Cl)ncn5)n4)n23)cc1,RERGCZDFOYIZHG-UHFFFAOYSA-N,3,1,0.523,36,32,440.254,3.048,5,0.384,0.66,0.981,0.45520355013364405,0.6452008087177027,0.28094373243780413,0.4418648481940923,0.4558032348708108
EOS-3-26707,Fc1cc(Cl)cc(F)c1COc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,QOXMSELENQZHIN-UHFFFAOYSA-N,3,1,0.512,73,577,451.824,4.154,5,0.396,0.66,1.0,0.8772616681516003,0.8456240148036461,0.8262113631690768,0.8363117675279281,0.8463522034130628
EOS-3-26708,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)c1,DXPVWTPDFZMSRM-UHFFFAOYSA-N,3,1,0.31,30,298,450.893,4.754,6,0.385,0.76,0.88,0.0264803646083202,0.1979730655883764,0.5231563977794531,0.6655472551572887,0.3532892707833596
EOS-3-26710,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)s4)n23)cc1,PBPRBDAKLJRIPM-UHFFFAOYSA-N,3,1,0.315,98,865,427.453,3.365,6,0.421,0.63,1.0,0.12080220683983277,0.13001165101775067,0.1530738126242204,0.1712528270851895,0.14378512439174834
EOS-3-26711,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)ncn3)n12,NXRFQSOKFOGBOK-UHFFFAOYSA-N,3,1,0.396,18,324,449.837,2.847,5,0.385,0.61,0.71,0.6490816256596532,0.5783873620725104,0.3357206497155781,0.39758241381673637,0.4901930128161195
EOS-3-26712,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)nc1,KXRLKGOXTQZFEP-UHFFFAOYSA-N,3,1,0.495,75,819,444.886,3.622,5,0.366,0.69,1.0,0.7495031183606332,0.7226972106092797,0.24814097731478307,0.26350147351106845,0.4959606949489411
EOS-3-26713,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)cn4)n23)cn1,LKYQQXVJXOHLKQ-UHFFFAOYSA-N,3,1,0.364,32,314,465.908,4.364,6,0.381,0.74,1.0,0.1983757110547598,0.27343053937358647,0.45716537591666095,0.5703687204441094,0.37483508669727916
EOS-3-26714,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)cn1,FMQNQKBOFRBGIS-UHFFFAOYSA-N,3,1,0.489,87,419,431.406,3.543,5,0.38,0.68,1.0,0.7343739291343979,0.7758806798711535,0.6800424919470907,0.6833407580015077,0.7184094647385374
EOS-3-26715,CCn1cc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)n1,YPVYPDQCDUACLM-UHFFFAOYSA-N,3,1,0.484,15,460,448.918,3.683,5,0.377,0.71,1.0,0.31156192173257485,0.42823487081077377,0.21592934000411212,0.23974539099444864,0.29886788088547733
EOS-3-26716,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)no1,MHGJPEWTIOKAQT-UHFFFAOYSA-N,3,1,0.512,13,145,422.807,4.735,5,0.413,0.81,1.0,0.6798197519018573,0.6795370433829073,0.7116373106709616,0.7380748406551985,0.7022672366527312
EOS-3-26717,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)cc2)no1,XEKQEDQIBPHZOA-UHFFFAOYSA-N,3,1,0.354,42,983,424.449,4.027,6,0.417,0.68,1.0,0.1702419299568227,0.17182681104790623,0.35832019738194776,0.3559728599821808,0.2640904495922144
EOS-3-26718,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4csc(-c5ccccn5)n4)n23)o1,JKNRGEMNKYQOKX-UHFFFAOYSA-N,3,1,0.318,76,272,428.441,2.76,6,0.416,0.65,1.0,0.010682955246384757,0.031611952573504215,0.018495990679185798,0.025632239051470083,0.02160578438763621
EOS-3-26719,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)ns4)n23)cc1,PIMWPYTYWZEJOV-UHFFFAOYSA-N,3,1,0.341,74,582,474.937,3.917,6,0.384,0.76,1.0,0.17293194434925638,0.19798163251319306,0.08693715303954493,0.1903827702008087,0.16205837502570075
EOS-3-26721,N#Cc1cccc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)c1,DUVAROYCNBJEJA-UHFFFAOYSA-N,3,1,0.527,19,198,454.44,4.625,5,0.348,0.81,1.0,0.8553303406209307,0.8088804742649579,0.9218439448975396,0.9245425262147899,0.8776493214995547
EOS-3-26722,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCOc4cccc(F)c4F)n23)c1,MDHYBYYTBRCAMQ-UHFFFAOYSA-N,3,1,0.517,91,876,448.433,3.928,5,0.351,0.73,1.0,0.7222945651428964,0.5542543348639573,0.792603317113289,0.7218576519772463,0.6977524672743473
EOS-3-26723,O=c1[nH]c(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)ncc1F,BLEWOCRNUOAFIR-UHFFFAOYSA-N,3,1,0.529,73,212,450.821,2.703,5,0.433,0.63,0.978,0.6259166609553835,0.7545918717017339,0.4429442807209924,0.5311579055582208,0.5886526797340826
EOS-3-26724,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccs5)cn4)n23)cc1,WEIPZZLDILLWCC-UHFFFAOYSA-N,3,1,0.409,67,622,453.491,3.898,6,0.387,0.74,1.0,0.36425707627989856,0.3041258309917072,0.21593790692892878,0.1823212939483243,0.2666605270372147
EOS-3-26725,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c(F)c1,OIBFTQAGKKKYHZ-UHFFFAOYSA-N,3,1,0.333,64,27,467.443,3.989,6,0.387,0.7,1.0,0.18714447262010828,0.2991313138235899,0.5331454321156878,0.6249657323007334,0.41109673771502986
EOS-3-26726,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5nc(Cl)ncc5Cl)n34)ncn2)nc1,ADLAPQDRTGGFNL-UHFFFAOYSA-N,3,1,0.318,46,726,456.228,3.672,5,0.374,0.69,0.992,0.7129223493934618,0.6599444863271879,0.45004626139401,0.537574532245905,0.5901219073401411
EOS-3-26727,Cc1nc(-c2ncnc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)n2)n(C)n1,QCGAXLPIKOEMEC-UHFFFAOYSA-N,3,1,0.5,36,839,430.432,1.152,5,0.417,0.68,1.0,0.4318158453841409,0.25278425056541703,0.016097251730518812,0.01114556918648482,0.17796072921664038
EOS-3-26728,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cccnn6)n5)n34)nc2)cs1,ZEGNAAWHYDWQPD-UHFFFAOYSA-N,3,1,0.27,76,368,449.503,4.137,6,0.395,0.68,0.982,0.04076142827770544,0.08829929408539511,0.18830100747035844,0.1903913371256254,0.1269382667397711
EOS-3-26729,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5cccc(-c6cncn6C)c5)n34)c2)n1,LNFUIKXUFWKIPM-UHFFFAOYSA-N,3,1,0.473,77,755,462.517,4.171,6,0.369,0.74,1.0,0.2960643547392228,0.1763330135014735,0.5860033582345281,0.47615824823521347,0.38363974367760945
EOS-3-26730,Cc1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(CC#N)nc5)n34)nn2)cc1,PZTAZCMTUZCFRU-UHFFFAOYSA-N,3,1,0.333,14,886,418.464,3.609,5,0.429,0.69,1.0,0.2369868412034816,0.222483037488863,0.46402748269481187,0.44500890960180933,0.34212656774724143
EOS-3-26731,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nnco1,NCMXLVSMSRFDPK-UHFFFAOYSA-N,3,1,0.588,72,386,437.822,3.65,5,0.371,0.71,1.0,0.9407254471934754,0.8862398053594681,0.6582825029127545,0.6742683846206565,0.7898790350215885
EOS-3-26732,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,DSYFRVGRUVGIMS-UHFFFAOYSA-N,3,1,0.595,72,386,437.822,3.65,5,0.371,0.71,1.0,0.9239342745528065,0.8783582345281338,0.6552326776780207,0.6684428757453225,0.781492015626071
EOS-3-26733,CCc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1nccn1C,DJEIEYGFSNASHT-UHFFFAOYSA-N,3,1,0.417,46,717,447.449,4.006,5,0.391,0.68,0.717,0.5636436844630252,0.49496264820779934,0.5299328353094374,0.497447056404633,0.5214965560962237
EOS-3-26734,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)c(F)c4)n23)nc1,GIATZCMIQFFSDH-UHFFFAOYSA-N,3,1,0.265,39,972,468.431,3.384,6,0.387,0.66,0.927,0.16490473579603865,0.22770886162703036,0.4640360496196285,0.5241073264341032,0.3451892433692002
EOS-3-26735,Fc1ccc(Cc2cncc3nnc(-c4cnc(-c5cccnc5)cn4)n23)nc1-c1cncnc1,BREKJHHVDJJEQQ-UHFFFAOYSA-N,3,1,0.324,94,165,462.452,3.225,6,0.38,0.61,1.0,0.25820711397436774,0.28363374683023784,0.3283787951476938,0.36280069906106505,0.3082550887533411
EOS-3-26736,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnn5)nn4)n23)nc1,DPGSNYZHSFYMCJ-UHFFFAOYSA-N,3,1,0.385,33,760,442.403,0.162,5,0.378,0.59,1.0,0.3389418134466452,0.10730930025358097,0.01345007196216846,0.004711808649167295,0.11610324857789049
EOS-3-26737,Fc1ccccc1-c1nnc2cncc(OCc3nc(-c4cn[nH]c4)ncc3Cl)n12,GKMVCNGDNGSNOT-UHFFFAOYSA-N,3,1,0.494,73,877,422.811,3.343,5,0.462,0.64,1.0,0.7129309163182784,0.8010160372832568,0.46404461654444523,0.5639006922075251,0.6354730655883765
EOS-3-26738,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)nn1,KJMRTKSNMJVWRW-UHFFFAOYSA-N,3,1,0.381,46,564,432.394,3.204,5,0.417,0.59,1.0,0.5832619422931944,0.44601123980535945,0.6139829346857651,0.5605595915290248,0.550953927078336
EOS-3-26739,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccncc6)cn5)n34)nc2)o1,MBVLEUOLHROCGX-UHFFFAOYSA-N,3,1,0.379,6,280,464.449,2.976,6,0.359,0.69,1.0,0.2823315742581043,0.19799019943800975,0.11777808237954904,0.08829929408539511,0.17159978754026456
EOS-3-26741,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cn2)n1,ROCQVFUUVYVTOD-UHFFFAOYSA-N,3,1,0.307,10,37,453.416,3.774,6,0.375,0.66,0.763,0.029855732986087315,0.1979987663628264,0.5735299157014598,0.6483791378246865,0.36244088821876497
EOS-3-26743,Cn1ccnc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,SUZXUJQQJHPDOE-UHFFFAOYSA-N,3,1,0.562,7,212,418.848,3.214,5,0.432,0.69,1.0,0.7755894044273868,0.8167620450962922,0.309934206017408,0.35936536220958126,0.565412754437667
EOS-3-26744,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccnc5F)n4)n23)c1,JZAYDSQVDWZBGZ-UHFFFAOYSA-N,3,1,0.308,39,527,455.392,2.564,6,0.369,0.64,0.989,0.005517099581934069,0.12320094578849976,0.12602803097800014,0.257401823041601,0.12803697484750873
EOS-3-26745,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccc(F)nc5)n4)n23)cc1,CGMZLUOZUIEGTF-UHFFFAOYSA-N,3,1,0.306,39,527,455.392,2.564,6,0.369,0.64,0.945,0.019027140017819202,0.1718353779727229,0.1785689808786238,0.3150315262833253,0.1711157562881228
EOS-3-26746,Cc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4cnn(C)n4)cc3F)n12,WKRWLHWAZVWKNB-UHFFFAOYSA-N,3,1,0.309,61,121,435.413,4.639,5,0.411,0.72,0.981,0.31914365019532587,0.45493797546432735,0.9296912480296073,0.9025083955863203,0.6515703173188953
EOS-3-26747,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1F,FCYAFRFQMRCPAQ-UHFFFAOYSA-N,3,1,0.552,37,353,449.877,4.001,5,0.389,0.64,1.0,0.8828387362072511,0.8833870193955178,0.6256596532108835,0.6397608114591187,0.7579115550681927
EOS-3-26748,COc1ncc(-c2ncc(F)c(COc3cncc4nnc(-c5ccc(C)nn5)n34)n2)cn1,FFYLPXXTTUKRDZ-UHFFFAOYSA-N,3,1,0.378,7,587,446.406,1.863,5,0.377,0.62,1.0,0.5529864299910904,0.43731581111644163,0.04766636967993969,0.025640805976286752,0.2659023541909396
EOS-3-26749,Cn1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cn2)nn1,JCMUYTVJNSQNMY-UHFFFAOYSA-N,3,1,0.286,99,286,455.421,1.373,6,0.382,0.58,1.0,0.08561784661777808,0.22249160441367966,0.05526523199232403,0.08301350147351107,0.1115970461243232
EOS-3-26750,FC(F)c1ccc(-c2nnc3cncc(OCc4nccc(-c5ncc(Cl)cn5)n4)n23)cc1,OUWVGXNYTLSREL-UHFFFAOYSA-N,3,1,0.477,73,343,466.839,4.208,5,0.366,0.71,1.0,0.9185542457679391,0.9178003563840724,0.6826639709409911,0.6888321568089918,0.8019626824754985
EOS-3-26751,Fc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2F)c1,PXBKXGNPMFLRMF-UHFFFAOYSA-N,3,1,0.467,20,846,450.384,3.077,5,0.389,0.61,1.0,0.8091374820094579,0.8669727914467823,0.6826725378658077,0.6861421424165581,0.7612312384346516
EOS-3-26752,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cocn6)nc5)n34)cn2)n1,MQGZQZZRLNJXFO-UHFFFAOYSA-N,3,1,0.31,70,664,441.842,3.742,6,0.38,0.71,0.993,0.03242581043108766,0.15614077170858748,0.38467205811801797,0.44187341511890893,0.2537780138441505
EOS-3-26753,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccnc5F)n4)n23)cc1,NMYHFRAVJGNSQM-UHFFFAOYSA-N,3,1,0.302,39,527,455.392,2.564,6,0.369,0.65,0.956,0.011445411555068192,0.14092591323418546,0.1347919950654513,0.2664998971969022,0.1384158042629018
EOS-3-26755,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cn4)n23)cc1,LNWVEABEINANFN-UHFFFAOYSA-N,3,1,0.3,9,179,449.453,3.85,6,0.403,0.63,1.0,0.1675604824892057,0.24796107189363306,0.4917757521759989,0.5276111986841203,0.3587271263107395
EOS-3-26756,Clc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cncnc1,CVUDZRMOZANTMA-UHFFFAOYSA-N,3,1,0.495,65,234,430.859,3.313,5,0.378,0.66,1.0,0.8117075594544583,0.8755140154890001,0.5093722157494346,0.5209718319512028,0.679391405661024
EOS-3-26757,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ccncc6)c5)n34)cn2)cc1,XTXUFRPYKSMRDA-UHFFFAOYSA-N,3,1,0.338,30,93,427.471,4.977,6,0.395,0.81,1.0,0.12640497566993353,0.11962853813994928,0.6826811047906244,0.7001404975669934,0.40721377904187517
EOS-3-26758,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)nc4)n23)cc1F,MVOVGPPUZAFZPY-UHFFFAOYSA-N,3,1,0.384,63,685,406.396,2.948,5,0.515,0.91,1.0,0.25303269138510043,0.2527928174902337,0.44295284764580906,0.5445137413474059,0.3733230244671373
EOS-3-26759,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1,JNQRWJSFNIRRFM-UHFFFAOYSA-N,3,1,0.5,15,848,429.459,3.83,5,0.366,0.72,1.0,0.7980947159207731,0.6357257898704681,0.47446199712151327,0.4165238845863889,0.5812015968747858
EOS-3-26760,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,HUZUGDLJPJUNNX-UHFFFAOYSA-N,3,1,0.306,38,787,421.424,3.304,6,0.426,0.66,1.0,0.12641354259475018,0.07118257830169282,0.33222534439037765,0.2991570145980399,0.20724461997121515
EOS-3-26761,c1cnc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)cn1,MLKPOUGWKCBRML-UHFFFAOYSA-N,3,1,0.307,38,620,424.453,2.953,6,0.424,0.62,1.0,0.01809334521280241,0.05972859982180796,0.12343225275854978,0.15799122746898772,0.08981135631553697
EOS-3-26762,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccc(F)nn6)nc5)n34)nn2)cn1,DOVGVQTYSXAOFB-UHFFFAOYSA-N,3,1,0.264,99,312,456.38,1.959,6,0.362,0.63,0.99,0.009355081899801247,0.08503529573024467,0.195068878075526,0.2545319032280173,0.1359977897333973
EOS-3-26763,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4F)n23)n1,RCYJCTNBNJHEJZ-UHFFFAOYSA-N,3,1,0.524,4,677,421.461,3.675,5,0.431,0.73,1.0,0.46192858611472826,0.5403844835857721,0.3394900966349119,0.29304023027893905,0.4087108491535878
EOS-3-26764,Cc1cc(-c2nnc3cncc(OCc4ncc(C#N)cc4F)n23)cc(-c2cnco2)n1,XLLOPFXNTXZWMT-UHFFFAOYSA-N,3,1,0.473,7,43,428.387,3.135,5,0.414,0.65,1.0,0.6286837776711671,0.5683726269618258,0.5632496059214585,0.4882890137756151,0.5621487560825166
EOS-3-26765,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,OLWBNWOCOCFBTN-UHFFFAOYSA-N,3,1,0.316,42,327,437.398,3.499,6,0.408,0.61,1.0,0.33664587759577824,0.38169933520663424,0.5056627373038174,0.5008052909327668,0.43120331025974923
EOS-3-26766,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cccc(C(F)F)n4)n23)c1,REFPLVAVYQXCCQ-UHFFFAOYSA-N,3,1,0.495,4,506,434.41,3.498,5,0.404,0.65,1.0,0.37115345075731615,0.3770217942567336,0.6438986361455692,0.5346103762593379,0.4816710643547392
EOS-3-26767,FC(F)(F)c1cnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)cn1,QVFVYMSIQZXCQQ-UHFFFAOYSA-N,3,1,0.338,50,243,425.399,4.391,5,0.426,0.7,1.0,0.2340312521417312,0.3434651497498458,0.9054211500239874,0.8384106641080118,0.580332054005894
EOS-3-26768,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4cocn4)c3)n12,XBLJRBSCSPKNFC-UHFFFAOYSA-N,3,1,0.535,97,89,422.807,4.213,5,0.419,0.74,1.0,0.8752141731204167,0.8987218148173531,0.8336131862106778,0.8441076691110959,0.862914210814886
EOS-3-26769,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1-c1cccnn1,IOZVGEBGZAMXKV-UHFFFAOYSA-N,3,1,0.618,84,360,461.432,3.552,5,0.363,0.7,1.0,0.7925090809403057,0.7227057775340964,0.6853539853334247,0.598048454526763,0.6996543245836475
EOS-3-26770,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cccc(-c4cccnn4)c3)n12,ZROTVQKRPRPJSY-UHFFFAOYSA-N,3,1,0.581,91,433,446.873,4.662,5,0.377,0.73,1.0,0.9264101158248236,0.9572339113151943,0.8318483996984443,0.8615070934137482,0.8942498800630526
EOS-3-26771,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4)n23)n1,NLYKSJDGYKXYAK-UHFFFAOYSA-N,3,1,0.5,65,263,451.853,2.791,5,0.387,0.66,1.0,0.60047289424988,0.640163456925502,0.17210095264203962,0.23093859228291413,0.4109189740250839
EOS-3-26772,COCc1nccc(COc2cncc3nnc(-c4ccc(-c5ccc(=O)[nH]n5)cc4F)n23)n1,BUVZLRSTCVWMBS-UHFFFAOYSA-N,3,1,0.434,4,677,460.429,2.196,5,0.388,0.65,1.0,0.552994996915907,0.46797683503529575,0.3175502021794257,0.26351004043588516,0.40050801864162844
EOS-3-26773,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cn1,XCGFKEVXAWTQQE-UHFFFAOYSA-N,3,1,0.483,55,45,419.836,2.609,5,0.4,0.71,1.0,0.5373774929751216,0.5130131587965184,0.24442293194434925,0.2635186073607018,0.38958304776917274
EOS-3-26774,Cc1cc(-c2nnc3cncc(COc4ccnc(C#N)c4)n23)cc(-c2ccc(CO)c(F)c2)n1,MUAHUMJZKQWHDQ-UHFFFAOYSA-N,3,1,0.378,14,189,467.464,3.639,5,0.402,0.68,0.996,0.7552172572133506,0.6697107806181893,0.8417003632376122,0.7535124391748338,0.7550352100609965
EOS-3-26775,COc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cncc(F)c3F)n12,AJSGKENAOKGFGH-UHFFFAOYSA-N,3,1,0.44,55,564,448.393,2.904,5,0.387,0.6,0.687,0.7641868274964019,0.6023747515591803,0.5128075526009184,0.4260674388321568,0.5763591426221644
EOS-3-26776,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)c(F)c1,URJJICAKDISYFX-UHFFFAOYSA-N,3,1,0.506,37,353,450.865,3.396,5,0.366,0.69,1.0,0.8221506408059763,0.8205743266397094,0.43184154615859094,0.4356795284764581,0.6275615105201836
EOS-3-26777,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)cn1,CHHLYYAHODPKJZ-UHFFFAOYSA-N,3,1,0.345,13,157,419.807,4.228,5,0.402,0.77,1.0,0.6550784730313207,0.7041155506819272,0.7167774655609622,0.7458364745390994,0.7054519909533273
EOS-3-26778,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)c(F)c1F,VTOSLPHSFJUUOM-UHFFFAOYSA-N,3,1,0.494,2,884,435.369,3.64,5,0.389,0.68,1.0,0.7254386265506134,0.767433692001919,0.935705229250908,0.917140703173189,0.8364295627441574
EOS-3-26779,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cn2)n1,QXRZPRUVIUHOMV-UHFFFAOYSA-N,3,1,0.524,55,16,420.383,2.839,5,0.431,0.65,1.0,0.5892330888904119,0.5636865190871085,0.5366750051401549,0.5241158933589198,0.5534276266191488
EOS-3-26780,Clc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)n2)nc1,SBIVBAYJGBCFPG-UHFFFAOYSA-N,3,1,0.296,86,459,465.868,3.211,6,0.382,0.63,0.949,0.2312898362003975,0.3434737166746625,0.23729525049688163,0.30568501130834075,0.27943595367007057
EOS-3-26781,COc1ncc(C)cc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,IWNBFDDMXJFETR-UHFFFAOYSA-N,3,1,0.529,4,534,459.897,4.193,5,0.372,0.72,1.0,0.7129394832430951,0.8582516619834144,0.5536289493523405,0.4853848262627647,0.6525512302104037
EOS-3-26782,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4F)n23)nc1,ISSWKJUCZIRUJL-UHFFFAOYSA-N,3,1,0.394,46,564,438.373,2.978,5,0.389,0.62,1.0,0.7160235761770954,0.597868549105613,0.6935439654581591,0.6222500171338496,0.6574215269686793
EOS-3-26783,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccnn5)cc4F)n23)c(F)n1,IKIYYXRFKONTIR-UHFFFAOYSA-N,3,1,0.494,16,772,432.394,3.204,5,0.39,0.65,1.0,0.8037745870742239,0.7458279076142827,0.6110273456240148,0.5639092591323418,0.6811347748612158
EOS-3-26784,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)cc2F)s1,IEIHYIGWSICFJW-UHFFFAOYSA-N,3,1,0.321,98,314,470.497,3.615,6,0.384,0.67,1.0,0.1539819066547872,0.30413439791652386,0.17210951956685627,0.20145123706394352,0.2079192653005277
EOS-3-26786,COc1nc(-c2ncon2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,VAMBQCYGECTOPR-UHFFFAOYSA-N,3,1,0.455,55,565,436.819,2.872,5,0.366,0.71,1.0,0.6119954081282982,0.5267716400520869,0.2195531492015626,0.19321842231512576,0.3878846549242684
EOS-3-26787,Cc1cnc(-c2cc(-c3nnc4cncc(COc5ccc(Cl)c(C)c5)n34)nc(C)n2)cn1,XLMGKBHTJMDOGE-UHFFFAOYSA-N,3,1,0.343,85,330,458.913,4.196,5,0.386,0.73,1.0,0.45288191350832707,0.39097731478308545,0.35471352203413065,0.3239925296415599,0.38064131999177575
EOS-3-26788,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)nc5)n34)cc2)ccn1,GXCXFKKTFNDVIL-UHFFFAOYSA-N,3,1,0.365,69,30,445.461,5.116,6,0.351,0.87,1.0,0.27955589061750397,0.4413765334795422,0.8589370159687478,0.8563155369748475,0.6090462442601604
EOS-3-26789,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cncc(-c4ccc(F)cn4)c3)n12,QMYQWAALQNXGOB-UHFFFAOYSA-N,3,1,0.495,65,349,430.447,3.051,5,0.408,0.66,1.0,0.4090106915221712,0.405352614625454,0.29908847919950654,0.2693355493112192,0.34569683366458775
EOS-3-26790,COc1cc(-c2nnc3cncc(OCc4cccc(C)n4)n23)ccc1-c1cncnc1,CJVVZCQJQPBKJZ-UHFFFAOYSA-N,3,1,0.505,4,83,425.452,3.539,5,0.407,0.67,1.0,0.3828044685079844,0.22250017133849634,0.505671304228634,0.33046055787814405,0.3603591254883147
EOS-3-26791,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(-c5nnccc5F)cc4F)n23)cc1,LXRVGMDOEZQBNX-UHFFFAOYSA-N,3,1,0.385,14,357,472.459,3.262,5,0.404,0.61,1.0,0.3267168117332602,0.20726817901446096,0.42076451237063944,0.37236138715646633,0.33177772256870675
EOS-3-26793,Fc1ccccc1-c1ncoc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,OPVHQJPIWVDNKB-UHFFFAOYSA-N,3,1,0.338,30,498,436.41,4.104,6,0.406,0.65,1.0,0.1756219587416901,0.24796963881844972,0.3394986635597286,0.4882975807004318,0.31284696045507504
EOS-3-26794,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cccnc5F)n34)c2)cn1,OAILJJHAPIOPTA-UHFFFAOYSA-N,3,1,0.421,18,720,428.431,3.107,5,0.38,0.66,0.999,0.6674833801658556,0.5542629017887739,0.35832876430676447,0.29916558152285655,0.46981015694606265
EOS-3-26795,Cc1cc(-c2cncc3nnc(-c4ccc(-c5nnn(COC(F)F)n5)cc4)n23)nc(C)n1,SGSNBTDJYSVMRO-UHFFFAOYSA-N,3,1,0.319,61,542,450.413,2.715,5,0.384,0.66,1.0,0.3088890411897745,0.30914604893427455,0.20907580015077787,0.19039990405044205,0.2543776985813172
EOS-3-26796,Cc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)cn2)nn1,WOSOUVJOCPXWES-UHFFFAOYSA-N,3,1,0.26,86,165,446.438,2.261,6,0.393,0.6,0.994,0.07909841683229388,0.07798471660612706,0.07539750531149339,0.0847354533616613,0.07930402302789391
EOS-3-26797,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,KWCSZIRBINCDRA-UHFFFAOYSA-N,3,1,0.429,51,196,432.875,3.697,5,0.403,0.63,1.0,0.4841426221643479,0.44601980673017616,0.3211740113768762,0.3209769721060928,0.3930783530943732
EOS-3-26798,Fc1ccc(Cc2cncc3nnc(-c4nccnc4-c4cc(F)nc(Cl)c4)n23)cc1,HERJVCTYAHUOMR-UHFFFAOYSA-N,3,1,0.34,14,961,435.825,4.166,5,0.394,0.67,0.773,0.3961860050716195,0.36237235282023167,0.7451425536289493,0.8384192310328284,0.5855300356384072
EOS-3-26799,Fc1cc(COc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cnc1Cl,UQQSLKMQVXSVNP-UHFFFAOYSA-N,3,1,0.432,55,283,434.822,3.41,5,0.387,0.66,1.0,0.7464532931258995,0.6842916866561579,0.5501250771023234,0.5859947913097114,0.6417162120485231
EOS-3-26800,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1-c1cncnn1,VBZOMTNCVWEATB-UHFFFAOYSA-N,3,1,0.512,55,772,434.822,3.41,5,0.387,0.66,1.0,0.8598793776985814,0.8941470769652525,0.745151120553766,0.7689243369200192,0.8170254780344047
EOS-3-26801,OCCc1ncccc1COc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,BJANDPZOKGHCII-UHFFFAOYSA-N,3,1,0.478,18,181,425.452,2.757,5,0.424,0.72,1.0,0.2121341923103283,0.10385682955246385,0.26951545473236926,0.23678123500788156,0.20557192790076073
EOS-3-26802,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)n5)n4C)n23)cc1,GZXHCBGPOHELDE-UHFFFAOYSA-N,3,1,0.342,8,890,469.9,3.098,6,0.361,0.67,1.0,0.14538071413885273,0.20727674593927764,0.07098553903090947,0.142536495099719,0.1415448735521897
EOS-3-26803,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)o1,IKDOPZHCRNGWJY-UHFFFAOYSA-N,3,1,0.312,76,601,422.412,2.699,6,0.421,0.66,1.0,0.07910698375711055,0.07799328353094373,0.10394249880063053,0.13555445137413474,0.09914930436570489
EOS-3-26804,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccccc5F)n34)n2)nn1C,QAZZCPOYTKXHAB-UHFFFAOYSA-N,3,1,0.523,4,268,416.42,3.008,5,0.435,0.73,1.0,0.39619457199643615,0.5130217257213351,0.13797889109725173,0.14992975121650332,0.2992812350078816
EOS-3-26805,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)c2)nc1,OCDJVBFKIVFCEG-UHFFFAOYSA-N,3,1,0.506,16,921,430.859,3.579,5,0.39,0.64,1.0,0.7896477280515386,0.6940579809471592,0.38832156808991847,0.3497961071893633,0.5554558460694948
EOS-3-26806,Cc1nc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n(C)n1,HCUTXCYHGKEMBG-UHFFFAOYSA-N,3,1,0.479,36,926,442.443,1.363,5,0.411,0.58,1.0,0.3142776368994586,0.14093448015900212,0.037051949832088274,0.015017819203618669,0.12682047152354192
EOS-3-26807,CCn1ncnc1-c1cc(F)cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c1,JNNPWTKCOYYCRG-UHFFFAOYSA-N,3,1,0.505,37,589,448.437,3.364,5,0.377,0.65,1.0,0.5141439928723186,0.410021588650538,0.3395072304845453,0.37894078541566717,0.4106533993557673
EOS-3-26808,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1F,LPPCPQBOBIURFV-UHFFFAOYSA-N,3,1,0.56,35,161,433.422,3.487,5,0.408,0.63,1.0,0.8687632787334658,0.7929288602563224,0.6990010965663765,0.6655558220821054,0.7565622644095675
EOS-3-26809,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)nc2)nn1C,KLVBPFWEHASZOH-UHFFFAOYSA-N,3,1,0.349,32,572,462.492,4.763,6,0.375,0.78,1.0,0.08562641354259475,0.26829895140840243,0.6052361044479474,0.5890274826948119,0.3870472380234391
EOS-3-26810,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)n4)n23)cn1,KDOQIEDBXNVABM-UHFFFAOYSA-N,3,1,0.272,10,342,421.428,2.23,6,0.425,0.64,0.815,0.015489000068535399,0.021682886710986223,0.0552737989171407,0.06495442395997533,0.03935002741415941
EOS-3-26811,Cn1ccnc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4cccnc4Cl)n23)c1,ZSJYRAOPQKMPMZ-UHFFFAOYSA-N,3,1,0.512,16,772,452.305,4.473,5,0.366,0.76,1.0,0.7315297100952642,0.7501113700226166,0.7141645534918786,0.7612912069083682,0.7392742101295319
EOS-3-26812,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(F)c5)cn4)n23)c(F)c1,BKSBFLKVNSXXKP-UHFFFAOYSA-N,3,1,0.529,97,71,430.418,4.414,5,0.411,0.73,1.0,0.8273593310945103,0.8387190734014118,0.8732266465629498,0.8495905009937633,0.8472238880131588
EOS-3-26813,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(F)nc5)n4)n23)cn1,SJTYBRURQIHZSP-UHFFFAOYSA-N,3,1,0.366,82,845,414.364,1.338,5,0.43,0.71,1.0,0.19016859708039202,0.16380816941950518,0.12892365156603386,0.11104447947364814,0.14848622438489478
EOS-3-26814,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccon5)nc4)n23)ncc1Cl,NQHPGFCRHYIGPE-UHFFFAOYSA-N,3,1,0.537,24,786,423.795,3.608,5,0.422,0.71,1.0,0.6286923445959838,0.6401720238503187,0.6469570283051196,0.6567918579946542,0.6431533136865191
EOS-3-26815,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5cncnn5)cc4F)n23)nc1,WOZZZPYGZJMAKU-UHFFFAOYSA-N,3,1,0.256,39,377,467.403,2.836,6,0.381,0.64,0.998,0.2636471112329518,0.29913988074840653,0.32477211979987664,0.4134226578027551,0.3252454423959975
EOS-3-26817,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ccsc6)c5)n34)cn2)cn1,IYDLUDQGZIBCDW-UHFFFAOYSA-N,3,1,0.301,86,790,434.488,4.434,6,0.405,0.7,1.0,0.1294205332054006,0.15221712014255362,0.4571739428414776,0.4607463504900281,0.299889486669865
EOS-3-26818,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cncc(-c4ncccn4)c3)n12,IZDZPYXDPBPOHI-UHFFFAOYSA-N,3,1,0.489,2,131,448.849,3.452,5,0.389,0.62,1.0,0.7611627030361181,0.7629017887739017,0.4640531834692619,0.5108885614419848,0.6247515591803167
EOS-3-26819,Fc1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)nc(C(F)F)n4)n23)cc1F,YVMHKWVCBCCEEZ-UHFFFAOYSA-N,3,1,0.414,66,225,442.298,4.407,4,0.438,0.63,0.998,0.5775563703652937,0.7966554725515729,0.9910304297169488,0.9790024672743473,0.8360611849770406
EOS-3-26820,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nncc(-c5cccs5)n4)n23)nc1,AVFLVHOWVHRJIH-UHFFFAOYSA-N,3,1,0.265,70,813,438.48,3.167,6,0.412,0.59,0.635,0.04519909533273936,0.08154855732986087,0.09880234391062984,0.11812932629703242,0.08591983071756562
EOS-3-26822,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5F)cn4)n23)nc1,KKSNQTWQBRGZRO-UHFFFAOYSA-N,3,1,0.312,63,108,433.447,2.316,5,0.496,0.57,0.936,0.13739634020971833,0.2072853128640943,0.7116458775957782,0.4912274689877322,0.38688874991433075
EOS-3-26823,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)n(C)n1,CBAGQNDGVBTLPP-UHFFFAOYSA-N,3,1,0.573,4,391,449.877,4.267,5,0.398,0.69,1.0,0.5802635186073607,0.8052480981426907,0.7273490507847303,0.697313412377493,0.7025435199780686
EOS-3-26824,Fc1cncc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1Cl,NWDLNLNJGJHJCI-UHFFFAOYSA-N,3,1,0.435,2,422,433.834,4.015,5,0.413,0.66,1.0,0.767202385031869,0.732000890960181,0.7884569255020218,0.8056164759098075,0.7733191693509698
EOS-3-26825,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5cccnc5OC)c4)n23)c(F)n1,LJQBJZKZAHXYTL-UHFFFAOYSA-N,3,1,0.33,14,290,470.468,2.741,5,0.376,0.7,1.0,0.3962031389212528,0.3673840038379823,0.25873826331300115,0.14993831814132,0.2930659310533891
EOS-3-26826,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c(Cl)c1,HNEGGXRGLYDGNP-UHFFFAOYSA-N,3,1,0.692,88,876,448.889,4.606,5,0.379,0.73,1.0,0.8752227400452334,0.866981358371599,0.7971866218902063,0.8121273387704749,0.8378795147693784
EOS-3-26827,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncc(F)cn1,LFOWNJWESQMWEE-UHFFFAOYSA-N,3,1,0.457,18,775,462.876,3.761,5,0.375,0.66,1.0,0.8321910766911109,0.7800013707079707,0.32118257830169283,0.3593739291343979,0.5731872387087931
EOS-3-26828,Fc1cc(F)c(CCOc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)cc1F,CJXSHBNKJFSRLY-UHFFFAOYSA-N,3,1,0.595,88,429,448.408,4.287,5,0.361,0.73,1.0,0.9277037214721403,0.934908505242958,0.9254077856212733,0.9117692413131382,0.9249473134123773
EOS-3-26829,Cc1nc(-c2ccon2)ccc1-c1nnc2cncc(OCc3cncc(C(F)(F)F)c3)n12,QYKAOJITPZIHBU-UHFFFAOYSA-N,3,1,0.483,27,805,453.384,4.143,5,0.391,0.73,1.0,0.682792474813241,0.5886248372284285,0.9114008635460216,0.8012559111781234,0.7460185216914537
EOS-3-26830,Cn1cc(-c2cccc(Cc3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)c2)cn1,HIDSJSZNOOTPLR-UHFFFAOYSA-N,3,1,0.375,69,787,432.487,5.043,6,0.381,0.85,1.0,0.16491330272085533,0.07468645055170996,0.7500085669248167,0.7140531834692618,0.42591537591666095
EOS-3-26831,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(F)c1,BFKVTGWSVUBJKN-UHFFFAOYSA-N,3,1,0.337,30,298,448.465,4.549,6,0.393,0.72,1.0,0.008061476252484408,0.18901206223014186,0.5767939140566103,0.6103505585634981,0.34605450277568367
EOS-3-26832,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)s5)n34)c2)ncn1,UCYBXNNZJBENNE-UHFFFAOYSA-N,3,1,0.54,4,439,436.447,4.475,5,0.404,0.72,1.0,0.7315382770200809,0.6502895620588034,0.773053594681653,0.7272119799876636,0.7205233534370502
EOS-3-26833,Fc1cnccc1-c1ncncc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,XUIJPPKUGPGJSW-UHFFFAOYSA-N,3,1,0.6,97,232,433.834,4.015,5,0.413,0.64,1.0,0.9721917620450963,0.9600609965046947,0.7663199917757522,0.807612569392091,0.8765463299294086
EOS-3-26834,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)c(Cl)c2)nn1,NQZFHWZCAICEHJ-UHFFFAOYSA-N,3,1,0.294,42,369,466.896,3.759,6,0.386,0.68,1.0,0.0880080186416284,0.17184394489753957,0.3656620519498321,0.4229833458981564,0.2621243403467891
EOS-3-26835,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccc(F)cc5)nn(C)c4C(F)F)n23)cc1,QBROBBUTVKHNTO-UHFFFAOYSA-N,3,1,0.388,62,124,477.45,4.295,5,0.408,0.76,1.0,0.19284147762319237,0.3623809197450483,0.7500171338496333,0.6684514426701391,0.49342274347200327
EOS-3-26836,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncc(F)c5)cnn4)n23)nc1,MEDCXAWKJAZLPL-UHFFFAOYSA-N,3,1,0.371,33,53,483.467,2.649,6,0.371,0.83,1.0,0.3782297306558838,0.18902062915495854,0.15607223631005415,0.19851278185182647,0.23045884449318071
EOS-3-26837,OCc1ccc(-c2nnc3cncc(CCc4nc(-c5ccccn5)ncc4F)n23)cc1F,GYUQIEOOSIODGX-UHFFFAOYSA-N,3,1,0.38,14,580,445.433,3.199,5,0.428,0.6,1.0,0.4552121170584607,0.5130302926461517,0.4744705640463299,0.5209803988760194,0.49092334315674047
EOS-3-26838,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)nn5)ns4)n23)cc1,SQACPCIMMNGQIN-UHFFFAOYSA-N,3,1,0.534,89,707,459.495,2.347,5,0.406,0.6,1.0,0.4068860941676376,0.222508738263313,0.041412514563772186,0.018016242889452402,0.17220589747104378
EOS-3-26839,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)nc1C,UESQMFUSLZSLAL-UHFFFAOYSA-N,3,1,0.5,87,579,456.485,3.724,5,0.381,0.68,1.0,0.7434634363648824,0.7587382633130012,0.1468199575080529,0.1227383318483997,0.442939997258584
EOS-3-26840,Fc1ccc(F)c(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)ccc2F)c1,BLOFFBNFVNQEHU-UHFFFAOYSA-N,3,1,0.548,88,70,449.396,3.682,5,0.391,0.65,1.0,0.9436810362552258,0.9406483448701254,0.8336217531354945,0.8646425878966486,0.8956484305393736
EOS-3-26841,Fc1ccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)n2)cc1,FSAQSDUQBWKNHW-UHFFFAOYSA-N,3,1,0.36,32,750,442.439,4.166,6,0.4,0.69,1.0,0.2933743403467891,0.4503118360633267,0.3247806867246933,0.4068860941676376,0.36883823932561166
EOS-3-26842,Fc1cc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)ccc1Cl,SRYAPFNENBREDU-UHFFFAOYSA-N,3,1,0.275,10,872,470.859,3.684,6,0.383,0.67,0.997,0.013158796518401754,0.1676632855870057,0.5632581728462751,0.6627373038174217,0.351704389692276
EOS-3-26843,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)nn4)n23)cn1,KTMLPCYRAHXOEU-UHFFFAOYSA-N,3,1,0.356,80,502,451.454,2.57,6,0.388,0.62,1.0,0.33895038037146186,0.232412103351381,0.07099410595572614,0.046424165581522854,0.17219518881502296
EOS-3-26844,Cc1cnc(-c2cc(C#N)cc(-c3nnc4cncc(OCCc5cncs5)n34)c2)cn1,HSEGITGWBHEMQS-UHFFFAOYSA-N,3,1,0.506,65,426,440.492,3.506,5,0.394,0.67,1.0,0.7523644712494003,0.6258224247824001,0.3846806250428346,0.33362175313549447,0.5241223185525323
EOS-3-26845,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,KIZUXKATCSJCCY-UHFFFAOYSA-N,3,1,0.416,97,560,432.846,4.62,5,0.403,0.72,1.0,0.8064046329929409,0.6893890069220753,0.8515351929271469,0.879540470152834,0.8067173257487492
EOS-3-26846,Cc1cc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)n(C)n1,WRECFXPXCFPFJS-UHFFFAOYSA-N,3,1,0.455,4,884,433.422,3.752,5,0.42,0.66,1.0,0.4364248509355082,0.4854876293605647,0.7167860324857789,0.6772925090809403,0.578997755465698
EOS-3-26847,Fc1cnc(-c2ncccc2-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cn1,ARLWIVCNYITAIM-UHFFFAOYSA-N,3,1,0.388,85,674,452.375,3.787,5,0.383,0.67,0.998,0.44113665958467546,0.5636950860119252,0.8964687135905696,0.8143890069220753,0.6789223665273114
EOS-3-26848,c1ncc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncs6)s5)n34)cn2)cn1,BLEZQXVBDGUFGK-UHFFFAOYSA-N,3,1,0.297,94,874,441.505,3.89,6,0.405,0.65,0.999,0.061587622507024875,0.11620176821328217,0.162497429922555,0.18760708656020836,0.1319734768007676
EOS-3-26849,Cn1nc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cn4)n23)cc1-c1nnnn1C,SMQJSDLEXUBDIW-UHFFFAOYSA-N,3,1,0.286,99,813,454.433,1.978,6,0.392,0.61,1.0,0.09295113426084572,0.17634158042629017,0.05882907271605784,0.09821979302309643,0.10658539510657254
EOS-3-26850,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5c[nH]nn5)cc4F)n23)cn1,RLQWTEMEBULNPU-UHFFFAOYSA-N,3,1,0.427,55,283,432.379,1.183,5,0.401,0.65,0.998,0.46916763758481256,0.36739257076279896,0.17211808649167296,0.13348125556850113,0.28553988760194643
EOS-3-26851,CCn1cc(-c2nnc3cncc(OCCc4cnccn4)n23)cc(-c2ccc(C)cn2)c1=O,NSTXLGPOBUJBJP-UHFFFAOYSA-N,3,1,0.408,65,658,454.494,2.755,5,0.369,0.67,1.0,0.17025049688163937,0.01485504763210198,0.11482249331779865,0.08830786101021178,0.09705897471043794
EOS-3-26852,Cn1nncc1-c1ccc(Cl)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,HZWQZSAXHHAMIU-UHFFFAOYSA-N,3,1,0.636,43,372,452.305,4.473,5,0.391,0.7,1.0,0.722303132067713,0.8551590021245974,0.8095658282502913,0.8615156603385649,0.8121359056952917
EOS-3-26853,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)nn2)n1,GBYQHHIDSWCPSE-UHFFFAOYSA-N,3,1,0.281,99,14,435.415,1.291,6,0.394,0.6,0.015,0.0407699952025221,0.014863614556918649,0.008001507778767734,0.008489822493317799,0.01803123500788157
EOS-3-26854,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c(Cl)nn1,TYIYSHGTHIUQOS-UHFFFAOYSA-N,3,1,0.379,46,915,454.281,3.263,5,0.398,0.62,0.996,0.5399647042697553,0.5267802069769035,0.3547220889589473,0.445017476526626,0.46662111918305804
EOS-3-26855,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cn5)n34)nc2)n(C)n1,TZGQUNLKCISRNQ-UHFFFAOYSA-N,3,1,0.274,99,652,450.47,2.148,6,0.396,0.58,0.994,0.07484065519840997,0.017896305942019054,0.024098759509286548,0.016911109588102255,0.033436707559454465
EOS-3-26856,Cn1c(-c2ccccc2)cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1=O,AHOVPONKERIXBE-UHFFFAOYSA-N,3,1,0.476,79,480,429.867,4.603,5,0.417,0.73,1.0,0.5693578233157426,0.5932681104790625,0.7523302035501337,0.8076211363169077,0.6806443184154616
EOS-3-26857,O=c1[nH]c(COc2cncc3nnc(-c4cccc(-c5cccnc5F)c4)n23)ncc1F,HVROBSIQBQJHMK-UHFFFAOYSA-N,3,1,0.462,97,91,433.378,2.794,5,0.424,0.62,1.0,0.527362757864437,0.44138510040435885,0.6256682201357001,0.6369337262696183,0.5578374511685286
EOS-3-26858,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)c(F)c5)ncn4)n23)cc1,YTHMIPKYJNPVFH-UHFFFAOYSA-N,3,1,0.523,1,675,430.418,4.414,5,0.411,0.71,1.0,0.9003837982317867,0.8833955863203344,0.8783839353025837,0.84959906791858,0.8779405969433213
EOS-3-26859,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cnc(C)s1,HLOYYEISFJREAK-UHFFFAOYSA-N,3,1,0.5,20,846,445.508,3.643,5,0.374,0.69,1.0,0.4134226578027551,0.3242152696867932,0.22650949215269686,0.13142519361250085,0.2738931533136865
EOS-3-26860,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)c(F)n2)n1,BWCCLQCRPYLMBP-UHFFFAOYSA-N,3,1,0.31,98,765,472.423,2.118,6,0.354,0.69,1.0,0.18167020766225755,0.3142433692001919,0.15007538893838668,0.19852134877664313,0.21112757864436982
EOS-3-26861,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncon6)n5)n34)nc2)nc1,WGOPDADTOFHBQS-UHFFFAOYSA-N,3,1,0.451,80,34,450.422,2.667,6,0.369,0.66,1.0,0.33168562812692753,0.22771742855184704,0.10135528750599684,0.10233191693509698,0.1907725652799671
EOS-3-26862,COc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cnc(C)s3)n12,AOHDTBSTBAHAGI-UHFFFAOYSA-N,3,1,0.542,53,710,432.469,2.996,5,0.399,0.67,0.976,0.3711620176821328,0.20729387978891098,0.0710026728805428,0.035509903365088066,0.17124211842916864
EOS-3-26863,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)c2)cnn1,MTJBNEXKUHYWHX-UHFFFAOYSA-N,3,1,0.438,46,16,447.861,4.323,5,0.396,0.65,1.0,0.6036169556575971,0.6073778356521143,0.7866578712905216,0.7923548762936057,0.6975018847234596
EOS-3-26864,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)[nH]n2)nc1,MNZJGDRBUXBKKS-UHFFFAOYSA-N,3,1,0.418,58,963,420.383,2.871,5,0.45,0.69,0.998,0.5117281200740182,0.3956205880337194,0.4318501130834076,0.4732968953464464,0.4531239291343979
EOS-3-26865,Fc1cc(-c2nnc3cncc(OCc4cnnc(-c5cscn5)c4)n23)ccc1Cl,GBZMHRHGKVULCU-UHFFFAOYSA-N,3,1,0.554,59,389,439.863,4.076,5,0.407,0.67,1.0,0.8732866150366665,0.9233260228908231,0.6880782674251251,0.7327547803440477,0.8043614214241657
EOS-3-26866,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,DUEPBBQFXUXDBZ-UHFFFAOYSA-N,3,1,0.543,2,76,447.861,4.057,5,0.362,0.7,1.0,0.8575320402988144,0.8941556438900692,0.7730621616064698,0.7809265985881708,0.826419111095881
EOS-3-26867,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)nc1,CWAIEJHPYKMTJX-UHFFFAOYSA-N,3,1,0.5,24,583,447.861,4.057,5,0.362,0.7,1.0,0.8533428140634638,0.8422486464258789,0.5988109108354465,0.6456719895826194,0.7350185902268522
EOS-3-26868,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cccc(Cl)c1,YEKXOIUZWIUKSN-UHFFFAOYSA-N,3,1,0.463,95,266,467.32,3.91,5,0.374,0.75,0.996,0.43643341786032486,0.4679854019601124,0.34305393735864576,0.4943629634706326,0.4354589301624289
EOS-3-26869,Fc1ccc(Cl)cc1-c1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ncn1,OVAMPZHQLJIGRA-UHFFFAOYSA-N,3,1,0.489,44,130,447.861,4.057,5,0.387,0.68,0.879,0.7552258241381674,0.727306216160647,0.6314765951614009,0.6946747995339593,0.7021708587485436
EOS-3-26870,Fc1cncc(Cl)c1COc1cncc2nnc(-c3cc(-c4cccnc4)[nH]n3)n12,NCEOYMZAQNTTIL-UHFFFAOYSA-N,3,1,0.422,2,980,422.811,3.343,5,0.462,0.69,1.0,0.5665393050510589,0.45922143787266123,0.6439072030703858,0.6973219793023097,0.5917474813241039
EOS-3-26871,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nn1,XEFZJDRDZKISPS-UHFFFAOYSA-N,3,1,0.29,99,286,453.405,1.43,6,0.381,0.57,0.996,0.1347148927421013,0.20730244671372763,0.025169625111370022,0.0530121307655404,0.10504977383318483
EOS-3-26872,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncnn5C)n34)cn2)ccc1F,OHAWEIKWBASGNA-UHFFFAOYSA-N,3,1,0.433,36,677,416.42,3.008,5,0.435,0.75,1.0,0.4743677609485299,0.49963162223288327,0.34688335275169624,0.33046912480296076,0.4128379651840175
EOS-3-26873,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6F)cn5)n34)cn2)cn1,WBIXJEVGXMTHOE-UHFFFAOYSA-N,3,1,0.273,42,72,465.427,4.046,6,0.359,0.71,0.82,0.27404735796038654,0.37703036118155026,0.6663011445411555,0.6802566650675074,0.4994088821876499
EOS-3-26874,Cn1c(C#N)cnc1-c1ccc(-c2nnc3cncc(-c4ncc(F)c(C#N)n4)n23)cc1,OZWZAEHSEZJYQN-UHFFFAOYSA-N,3,1,0.354,50,856,422.387,2.531,5,0.433,0.64,1.0,0.31428620382427525,0.3674011376876157,0.4207730792954561,0.42607600575697346,0.3821341066410801
EOS-3-26875,Cc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cn[nH]c4-c4cccc(C)n4)n23)c1,QHBYBCCYPAYAJI-UHFFFAOYSA-N,3,1,0.234,10,543,446.478,3.712,6,0.435,0.61,0.858,0.04656123637858954,0.023953121787403192,0.19846994722774314,0.2279915701459804,0.12424396888492906
EOS-3-26876,CCn1c(-c2cncc(C)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,QGARMRHRMZVBOM-UHFFFAOYSA-N,3,1,0.267,8,934,459.517,4.502,6,0.374,0.78,0.996,0.05114454115550682,0.02396168871221986,0.12057089986978274,0.19577993283530945,0.09786426564320472
EOS-3-26877,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccc5Cl)cn4)n23)cc1,MPIHKFHUQGWOFI-UHFFFAOYSA-N,3,1,0.57,4,401,450.289,4.529,5,0.389,0.72,1.0,0.7841049276951545,0.9333407580015077,0.6469655952299362,0.7612997738331848,0.7814277636899458
EOS-3-26878,Cc1cccc(CCOc2cncc3nnc(-c4cnnc(-c5cccc(F)c5)c4)n23)n1,QPCPHLQYLOUSPQ-UHFFFAOYSA-N,3,1,0.5,19,848,427.443,3.712,5,0.408,0.67,1.0,0.6490901925844699,0.7087673908573778,0.47793160167226373,0.47910527037214723,0.5787236138715647
EOS-3-26879,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)o1,NCLBRPLCAIPWJD-UHFFFAOYSA-N,3,1,0.731,11,73,432.871,4.425,5,0.392,0.73,1.0,0.7223116989925297,0.65029812898362,0.576802480981427,0.5735384826262765,0.6307376978959632
EOS-3-26880,Cc1ncnc(-c2ccccn2)c1-c1nnc2cncc(-c3ccc(-c4cncnn4)cc3)n12,PGVZUYFZTZYQHR-UHFFFAOYSA-N,3,1,0.284,38,339,444.462,3.471,6,0.402,0.62,1.0,0.0929597011856624,0.044890686039339316,0.20189671715441027,0.23678980193269825,0.14413422657802755
EOS-3-26882,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)n2)cn1,AVQGHJQAKCDPOL-UHFFFAOYSA-N,3,1,0.379,80,816,465.481,2.356,6,0.364,0.67,1.0,0.2740559248852032,0.18455726132547462,0.1177866493043657,0.07605715852237681,0.16311424850935508
EOS-3-26883,Cc1nccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)cnn2)n1,RMIVMECMWRCICA-UHFFFAOYSA-N,3,1,0.248,70,813,447.466,2.809,6,0.401,0.58,0.995,0.033633746830237815,0.013510040435885134,0.16893119045987254,0.1355630182989514,0.08790949900623672
EOS-3-26884,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cncc(C)c5F)n34)c2)cn1,PKZAGHQVFSADHG-UHFFFAOYSA-N,3,1,0.489,16,426,427.443,3.978,5,0.419,0.66,1.0,0.6490987595092865,0.5542714687135906,0.6439157699952025,0.5346189431841546,0.5954762353505585
EOS-3-26885,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)cc4)n23)cc1,ZUAUZGYBMSKODJ-UHFFFAOYSA-N,3,1,0.338,69,152,433.45,5.05,6,0.421,0.78,1.0,0.26365567815776847,0.3909858817079021,0.835232335001028,0.8662360359125488,0.5890274826948119
EOS-3-26886,Cc1nn(C)cc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)s1,FKLPDTWRRUYULG-UHFFFAOYSA-N,3,1,0.301,86,944,453.495,2.871,6,0.396,0.63,0.965,0.031183606332670824,0.037523130697005004,0.029615859091220616,0.029350284421903912,0.03191822013570009
EOS-3-26887,Fc1cccc(Cc2nnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)s2)c1,GXRSKCOAFNOLBV-UHFFFAOYSA-N,3,1,0.34,3,115,456.466,4.09,6,0.382,0.69,1.0,0.19541155506819272,0.3909944486327188,0.2658745116852855,0.36914879035021586,0.3053573264341032
EOS-3-26888,CCc1cnc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4OC)n23)cn1,JALMLTSBRYAIGJ-UHFFFAOYSA-N,3,1,0.426,4,248,440.467,3.188,5,0.376,0.67,1.0,0.3526745939277637,0.13708793091631827,0.22651805907751354,0.1270988965800836,0.2108448701254198
EOS-3-26889,FC(F)c1cnc(COc2cncc3nnc(-c4cncnc4-c4ccccc4)n23)cn1,PROOPMHJSRTKRP-UHFFFAOYSA-N,3,1,0.456,27,343,432.394,3.555,5,0.401,0.66,0.999,0.529890000685354,0.5174422589267357,0.5668134466451923,0.507556027688301,0.5304254334863957
EOS-3-26890,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)nc1,RCBKKACILKYPBO-UHFFFAOYSA-N,3,1,0.441,18,481,432.394,2.938,5,0.377,0.64,1.0,0.7402422726338154,0.54992803783154,0.5331539990405044,0.527619765608937,0.5877360187786993
EOS-3-26891,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ccn2)nn1,AGXUJIFZQIPWCS-UHFFFAOYSA-N,3,1,0.505,58,241,432.394,2.938,5,0.377,0.64,0.998,0.7579158385306011,0.6940665478719759,0.43947467617024194,0.4384466451922418,0.5824759269412652
EOS-3-26892,CC(F)c1ccc(-c2nnc3cncc(Oc4cnc(-c5ccc(C#N)c(F)c5)cn4)n23)cn1,XKXSQEZINDPUAY-UHFFFAOYSA-N,3,1,0.429,27,412,456.416,4.477,5,0.38,0.76,1.0,0.877270235076417,0.8352751696251114,0.8797375094236173,0.7991227468987732,0.8478514152559796
EOS-3-26893,FCn1cncc1-c1ccc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)cn1,GQLPPHIENVLCSD-UHFFFAOYSA-N,3,1,0.438,55,823,438.373,3.229,5,0.402,0.63,1.0,0.6460318004249195,0.5932766774038791,0.6636710986224384,0.6309026111986841,0.6334705469124803
EOS-3-26894,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnn5)n4)n23)cc1,LLXADIOQBSIZTC-UHFFFAOYSA-N,3,1,0.404,71,428,463.465,2.413,6,0.362,0.63,1.0,0.4434497292851758,0.20731101363854432,0.09395346446439586,0.07606572544719348,0.20519498320882737
EOS-3-26895,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)cc1,HOFCIOLGEVBLHC-UHFFFAOYSA-N,3,1,0.457,71,415,463.465,2.413,6,0.362,0.63,1.0,0.36889178260571587,0.21709444177917894,0.1410544171064355,0.1110530463984648,0.20952342197244878
EOS-3-26896,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnnc5)n4)n23)cc1,CUJBYKGUIIKHBH-UHFFFAOYSA-N,3,1,0.426,71,614,463.465,2.413,6,0.362,0.63,1.0,0.3873963402097183,0.17635014735110685,0.1689397573846892,0.14254506202453568,0.21880782674251248
EOS-3-26898,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nn1,SVOQQICGHIGWQT-UHFFFAOYSA-N,3,1,0.385,6,502,449.438,2.626,6,0.386,0.61,0.973,0.35268316085258034,0.22251730518812968,0.07764203961346035,0.07607429237201015,0.18222919950654512
EOS-3-26899,CCn1cc(-n2cc(-c3cncc4nnc(-c5ncc(Cl)cc5-c5ncccn5)n34)cn2)cn1,YYCLIRXQAWPSBJ-UHFFFAOYSA-N,3,1,0.217,86,249,469.9,3.366,6,0.377,0.69,1.0,0.03487595092865465,0.1268333219107669,0.12893221849085051,0.17126139401000617,0.11547572133506956
EOS-3-26900,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)c(C)n1,BTDYVMGCAXACKP-UHFFFAOYSA-N,3,1,0.407,53,466,426.444,2.067,5,0.398,0.63,1.0,0.41343122472757177,0.202676307312727,0.08465835103831129,0.0572441916249743,0.1895025186758961
EOS-3-26901,Cc1cc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)nc(-n2ccccc2=O)n1,XBQIJDHTZINMEM-UHFFFAOYSA-N,3,1,0.261,10,37,466.44,2.427,6,0.388,0.64,0.999,0.03637516277157152,0.12320951271331643,0.13175073675553423,0.19322698923994244,0.12114060037009114
EOS-3-26902,Cc1cnnc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)n1,FEGGFDNVLAQGAG-UHFFFAOYSA-N,3,1,0.436,92,185,441.415,0.815,5,0.395,0.59,1.0,0.3366544445205949,0.1483106024261531,0.02209409910218628,0.009492152696867932,0.12913782468645058
EOS-3-26903,Cn1nc(-c2nnc3cncc(OCc4nnccc4F)n23)cc1-c1cncnc1Cl,BGJYQBPJMNVLGB-UHFFFAOYSA-N,3,1,0.374,53,105,438.814,2.143,5,0.38,0.65,0.864,0.29869440065793984,0.3382393256116784,0.19156500582550887,0.25741038996641763,0.27147728051538617
EOS-3-26904,OCc1cc(-c2nnc3cncc(OCc4ccc(-c5nccs5)nc4)n23)ccc1Cl,LAQNOPUQDPYDSE-UHFFFAOYSA-N,3,1,0.542,24,805,450.911,4.035,5,0.417,0.7,1.0,0.8141662668768419,0.8088890411897746,0.6612380919745048,0.6397693783839353,0.7310156946062643
EOS-3-26905,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ncncc5-c5ccc(Cl)cc5)n34)nc2)cn1,BCIQFRNNTDEPSP-UHFFFAOYSA-N,3,1,0.31,94,714,465.908,4.364,6,0.381,0.75,1.0,0.14538928106366938,0.2277259954766637,0.579689534644644,0.639777945308752,0.3981456891234323
EOS-3-26906,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cc1-c1ccccc1F,WXVBBYGGZYTWDB-UHFFFAOYSA-N,3,1,0.449,95,965,419.395,3.444,5,0.434,0.7,1.0,0.4892056747309986,0.37703892810636697,0.6663097114659722,0.6888407237338086,0.5553487595092865
EOS-3-26907,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)cc2)c1,ZFKJESWOTWPGDR-UHFFFAOYSA-N,3,1,0.353,69,818,427.471,4.977,6,0.395,0.83,1.0,0.11564491810019875,0.14831916935096978,0.7545833047769173,0.7639041189774518,0.4456128778013844
EOS-3-26908,Fc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)nc1,UWMVHXGMOQJHLO-UHFFFAOYSA-N,3,1,0.272,86,513,449.413,2.696,6,0.395,0.58,0.981,0.27406449181001985,0.2942824343773559,0.19157357275032555,0.2309471592077308,0.24771691453635802
EOS-3-26909,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nccnn6)nc5)n34)cc2)nc1,CORAJYIHMMXMLP-UHFFFAOYSA-N,3,1,0.517,40,2,459.473,3.679,6,0.368,0.66,1.0,0.6176581454321157,0.4239171407031732,0.37350078815708315,0.3432852443286958,0.43959032965526695
EOS-3-26910,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,MSERZODTFQKKBO-UHFFFAOYSA-N,3,1,0.597,11,111,446.873,4.662,5,0.353,0.76,1.0,0.9069717634158042,0.9233345898156398,0.8515437598519635,0.8597851415255979,0.8854088136522513
EOS-3-26911,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)cc1,FTWWJKPGUBSHBO-UHFFFAOYSA-N,3,1,0.294,39,144,469.871,4.289,6,0.379,0.76,0.602,0.03933075183332191,0.18456582825029128,0.45005482831882665,0.6397865122335686,0.3284344801590021
EOS-3-26912,COc1cc(-c2nnc3cncc(Cl)n23)ccc1-c1ccc(-c2ncn(C)n2)cc1,NMBFCOSOMIULHJ-UHFFFAOYSA-N,3,1,0.582,61,320,417.86,3.916,5,0.44,0.74,1.0,0.2795644575423206,0.3091546158590912,0.5954184086080461,0.547554999657323,0.43292312041669523
EOS-3-26913,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)nc1,WBFWXJUNXXPMKY-UHFFFAOYSA-N,3,1,0.54,73,141,449.396,3.682,5,0.391,0.63,1.0,0.87523130697005,0.8282674251250771,0.7298248920567473,0.7458450414639161,0.7947921664039476
EOS-3-26914,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ncccc5F)[nH]c(=O)c4)n23)cn1,OENPHIVKQJIQBI-UHFFFAOYSA-N,3,1,0.5,37,847,432.419,2.036,5,0.436,0.59,1.0,0.3342728394215612,0.18457439517510793,0.32838736207251046,0.3087177026934412,0.2889880748406552
EOS-3-26915,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ncn(-c5ccccc5F)n4)n23)cc1,XHNRRAFCCXKARL-UHFFFAOYSA-N,3,1,0.314,3,118,452.428,4.379,6,0.395,0.67,0.96,0.03933931875813858,0.25773593310945103,0.6230638749914331,0.7354447947364814,0.413895980398876
EOS-3-26916,Clc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,RURWPQFQVXXRRJ-UHFFFAOYSA-N,3,1,0.536,20,846,436.888,3.375,5,0.399,0.66,1.0,0.45967548488794463,0.6258309917072168,0.2809522993626208,0.35598142690699747,0.4306100507161949
EOS-3-26917,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)nn1,YYHCMNADXJPBCB-UHFFFAOYSA-N,3,1,0.517,58,583,436.888,3.375,5,0.399,0.66,1.0,0.5977657460078131,0.6554125830991707,0.14106298403125214,0.18494277294222466,0.3947960215201151
EOS-3-26918,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)cn2)cn1,PUDXWOJXYVCKBM-UHFFFAOYSA-N,3,1,0.6,27,430,463.423,4.55,5,0.378,0.76,1.0,0.8903861969707354,0.8167706120211089,0.9411195257350421,0.8263827016654102,0.8686647590980741
EOS-3-26919,Cc1cc(COc2cncc3nnc(-c4cc(C#N)cc(-c5nnc(C)o5)c4)n23)c(F)cn1,RXQDPYBCWCQARQ-UHFFFAOYSA-N,3,1,0.483,4,677,442.414,3.443,5,0.402,0.65,1.0,0.7071225412925776,0.5730587348365431,0.5954269755328627,0.49123603591254883,0.591711071893633
EOS-3-26920,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)cc1,LMMKEBNVMUKWDC-UHFFFAOYSA-N,3,1,0.311,10,871,441.846,2.872,6,0.442,0.56,0.686,0.03767733534370502,0.19338119388664246,0.1883095743951751,0.29304879720375576,0.17810422520731958
EOS-3-26921,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cocn5)cc4)n23)c1,CGXMJAOHRCYCLH-UHFFFAOYSA-N,3,1,0.346,64,885,435.422,4.709,6,0.396,0.73,1.0,0.2906329244054554,0.3194777602631759,0.6230724419162498,0.6946833664587759,0.4819666232609143
EOS-3-26922,FC(F)c1ccc(Cc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nn1,WTSLXOWTGZMDKG-UHFFFAOYSA-N,3,1,0.392,14,476,416.395,3.567,5,0.432,0.7,1.0,0.34834829689534647,0.3242238366116099,0.5860119251593447,0.5311664724830375,0.4474376327873346
EOS-3-26923,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1F,PUGDXUDBUUOINR-UHFFFAOYSA-N,3,1,0.506,20,279,450.865,3.396,5,0.391,0.62,1.0,0.8091460489342746,0.8245151120553766,0.4280121307655404,0.46075491741484476,0.630607052292509
EOS-3-26924,Fc1cc(-c2ccc(F)nn2)cc(-c2nnc3cncc(OCCc4ccsc4)n23)c1,BWBPNPPTJLBCPG-UHFFFAOYSA-N,3,1,0.547,72,386,436.447,4.21,5,0.397,0.68,1.0,0.7981032828455897,0.7273147830854636,0.7195360153519292,0.7218662189020629,0.7417050750462614
EOS-3-26925,COc1ncc(Cl)cc1COc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,DUNLIDXOOTZHLY-UHFFFAOYSA-N,3,1,0.483,75,540,446.858,3.279,5,0.387,0.64,1.0,0.6550870399561374,0.5783959289973272,0.37733020355013364,0.30872626961825783,0.479884860530464
EOS-3-26926,c1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)cc1,JJIVFSPMCCHZIB-UHFFFAOYSA-N,3,1,0.311,30,371,434.488,4.434,6,0.405,0.71,0.975,0.08563498046741141,0.13709649784113495,0.28096086628743744,0.34980467411418,0.21337425467754095
EOS-3-26927,Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5cnc(C#N)cn5)c4)n23)cn1,HTFOKGPNFTZDOR-UHFFFAOYSA-N,3,1,0.457,55,283,439.414,2.937,5,0.38,0.66,1.0,0.8417003632376122,0.8245236789801933,0.5366835720649715,0.44502604345144264,0.6619834144335549
EOS-3-26928,O=c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)c[nH]1,GYSYWHCGNBIPPT-UHFFFAOYSA-N,3,1,0.341,96,3,416.391,4.146,5,0.476,0.76,1.0,0.39406140771708587,0.41003015557535466,0.9327753409636077,0.9160955383455555,0.663240610650401
EOS-3-26929,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ncc(F)cn5)n4)n23)nc1,LRHZBSLCCZJRQY-UHFFFAOYSA-N,3,1,0.421,18,775,446.421,3.246,5,0.392,0.61,1.0,0.7372267150983483,0.6744825577410732,0.28096943321225415,0.29014460969090533,0.4957058289356452
EOS-3-26930,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)nc3)n12,DCSSNSQUULNUFZ-UHFFFAOYSA-N,3,1,0.534,47,164,456.363,3.708,5,0.402,0.65,1.0,0.8973939414707697,0.852049208416147,0.9509971900486601,0.8781097937084504,0.8946375334110067
EOS-3-26931,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,BJBZOTWRFZRIPL-UHFFFAOYSA-N,3,1,0.511,72,482,454.878,3.514,5,0.384,0.67,1.0,0.6259252278802001,0.7546004386265506,0.3735093550818998,0.470135700089096,0.5560426804194366
EOS-3-26932,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)c(F)c5)n34)cc2)no1,DMURWDZDEZMULT-UHFFFAOYSA-N,3,1,0.333,42,171,450.437,4.413,6,0.389,0.71,1.0,0.33428140634637793,0.3770474950311836,0.6230810088410664,0.6163474059351655,0.48768932903844836
EOS-3-26933,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)nn1,XNNDDBRHGDVYSJ-UHFFFAOYSA-N,3,1,0.282,99,14,435.455,2.444,6,0.414,0.6,0.996,0.06902371324789254,0.05201836748680694,0.0894729627852786,0.07960386539647728,0.07252972722911384
EOS-3-26934,COCc1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cn4)n23)cn1,PGIICXAESYTTRQ-UHFFFAOYSA-N,3,1,0.368,92,412,428.456,3.229,5,0.406,0.69,1.0,0.37595092865465013,0.22773456240148038,0.21263964087451168,0.11106161332328147,0.2318466863134809
EOS-3-26935,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,LYRWQVZRYAEPJI-UHFFFAOYSA-N,3,1,0.489,87,173,447.861,4.057,5,0.362,0.71,1.0,0.7698666986498527,0.8520577753409636,0.6935525323829758,0.7245905009937633,0.7600168768418889
EOS-3-26937,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)n5)n34)cc2)nc1,NUQQGHBJTMZTEB-UHFFFAOYSA-N,3,1,0.319,38,270,418.42,3.965,6,0.423,0.73,1.0,0.15679185799465423,0.13002021794256732,0.35082413816736346,0.38205914604893426,0.2549238400383798
EOS-3-26938,c1ccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cc1,JYIPTMMWQYIGRP-UHFFFAOYSA-N,3,1,0.377,93,553,418.42,3.965,6,0.423,0.73,1.0,0.22034987320951271,0.1445325885820026,0.3583373312315811,0.37553971626345006,0.27468987732163663
EOS-3-26939,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cn2)nn1,HURDYPPYWJJSOQ-UHFFFAOYSA-N,3,1,0.456,55,134,437.826,2.748,5,0.386,0.64,0.998,0.5220426975532863,0.5174508258515523,0.4465338222191762,0.4513912685902269,0.4843546535535604
EOS-3-26940,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)n2)cc1F,ULQWLQWWNZBTHG-UHFFFAOYSA-N,3,1,0.321,3,289,458.457,4.441,6,0.388,0.7,0.996,0.05449420875882393,0.2836423137550545,0.6909224864642588,0.7432321293948324,0.4430727845932424
EOS-3-26941,Cn1ccnc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c(Cl)cn1,SZDKXLGLWRRCKB-UHFFFAOYSA-N,3,1,0.438,13,110,456.268,4.825,5,0.386,0.78,1.0,0.6373449386608183,0.6940751147967925,0.7906414913302721,0.8514152559797136,0.7433692001918991
EOS-3-26942,CC(=O)N1CCC(n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cn2)CC1,CGICVNCUCFVPGP-UHFFFAOYSA-N,3,1,0.312,63,792,488.527,2.87,6,0.463,0.86,1.0,0.02767116715783702,0.09436467685559592,0.0035210060996504694,0.01802480981426907,0.03589541498183812
EOS-3-26943,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)ccc1F,KHOFHYPJFUJQRI-UHFFFAOYSA-N,3,1,0.489,26,563,447.449,3.795,5,0.394,0.67,1.0,0.7434720032896991,0.6452093756425193,0.6612466588993215,0.5922315125762456,0.6605398876019464
EOS-3-26944,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5cncc(F)c5)c4)n23)n1,DBCGZCYHHBBQCN-UHFFFAOYSA-N,3,1,0.473,75,496,450.865,3.396,5,0.391,0.66,1.0,0.5530035638407237,0.5683811938866424,0.4066119525735042,0.4791138372969639,0.5017776368994585
EOS-3-26945,Clc1nccn1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)n1,BOUNPPCMGDAHGY-UHFFFAOYSA-N,3,1,0.312,38,787,440.854,4.347,6,0.401,0.69,1.0,0.11005928311973134,0.1763587142759235,0.48159824549379754,0.5108971283668015,0.3197283428140635
EOS-3-26946,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nn2C)cn1,UFXUNFXFFWGZBD-UHFFFAOYSA-N,3,1,0.522,95,493,430.447,3.051,5,0.408,0.67,1.0,0.42749811527654036,0.2734391062984031,0.2773541909396203,0.26650846412171886,0.31119996915907067
EOS-3-26947,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccnc(CO)c5)n34)ncn2)c1,GJDMDZIVAMCBMJ-UHFFFAOYSA-N,3,1,0.406,46,238,426.44,2.418,5,0.436,0.63,0.997,0.38504043588513465,0.1763672812007402,0.3508327050921801,0.2483465835103831,0.29014675142210955
EOS-3-26948,Cc1cc(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)c(F)c(C)n1,QUZQMMGWVZQMPT-UHFFFAOYSA-N,3,1,0.473,1,666,426.455,4.583,5,0.409,0.74,1.0,0.7464618600507162,0.6121667466246317,0.6800510588719073,0.5922400795010623,0.6577299362620794
EOS-3-26949,Cn1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)cc1-c1cccnc1,ZFCSLTYVKXBCJU-UHFFFAOYSA-N,3,1,0.542,13,956,421.823,4.172,5,0.433,0.73,1.0,0.44807586868617644,0.4723116989925296,0.7167945994105955,0.7689329038448358,0.6015287677335344
EOS-3-26950,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)cs1,RXKMRGPYEIUWRL-UHFFFAOYSA-N,3,1,0.553,35,161,450.474,4.518,5,0.379,0.76,1.0,0.8486824069631965,0.8456325817284628,0.7298334589815639,0.6973305462271263,0.7803697484750873
EOS-3-26951,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4Cl)n23)nc1,XBEURJKDARKZPZ-UHFFFAOYSA-N,3,1,0.524,16,353,449.877,4.267,5,0.398,0.7,1.0,0.5832705092180112,0.664793365773422,0.6880868343499418,0.645680556507436,0.6454578164622028
EOS-3-26952,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)c2)n1,RFZZGVHUWPGSRF-UHFFFAOYSA-N,3,1,0.523,4,469,432.394,3.204,5,0.417,0.6,1.0,0.5832790761428278,0.5499366047563566,0.5567901446096909,0.5209889658008361,0.5527486978274279
EOS-3-26953,Cc1nc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)ncc1-c1cscn1,AYTXJELCEIGFSB-UHFFFAOYSA-N,3,1,0.404,7,535,453.438,3.32,5,0.382,0.67,1.0,0.4691762045096292,0.432869577136591,0.23028750599684736,0.1765471866218902,0.32722011856623945
EOS-3-26954,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1F,JEIHUWYIQKBKQA-UHFFFAOYSA-N,3,1,0.703,59,96,453.84,4.097,5,0.398,0.66,1.0,0.9020886162703036,0.8941642108148858,0.8620725104516482,0.8727126310739497,0.8827594921526969
EOS-3-26955,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ccoc6)n5)n34)cc2)nc1,QIRRCFHJSBTBMQ-UHFFFAOYSA-N,3,1,0.446,40,59,447.458,4.482,6,0.368,0.75,1.0,0.5373860598999384,0.4282434377355904,0.45718250976629426,0.4260845726817901,0.4622241450209033
EOS-3-26957,Clc1cncc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,JIQZWFLJWWMEKX-UHFFFAOYSA-N,3,1,0.512,75,939,420.885,4.542,5,0.415,0.79,1.0,0.7129480501679117,0.6357343567952848,0.67482523473374,0.7028733465835104,0.6815952470701119
EOS-3-26958,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)c(Cl)c3)n12,AWFKLTIPACKPKM-UHFFFAOYSA-N,3,1,0.585,35,325,437.822,3.65,5,0.396,0.66,1.0,0.8486909738880132,0.8282759920498938,0.6410030155575355,0.680265231992324,0.7495588033719416
EOS-3-26959,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cnn(C)c5)nn4)n23)n1,UMYPZASFALBWHJ-UHFFFAOYSA-N,3,1,0.219,86,312,436.443,1.933,6,0.407,0.59,0.704,0.0003255431430333767,0.001747652662600233,0.03580974573367144,0.03224590500993763,0.01753221163731067
EOS-3-26960,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5F)c4)n23)c1,SDMLTEOVEXANGL-UHFFFAOYSA-N,3,1,0.667,57,222,429.43,4.753,5,0.39,0.79,1.0,0.8752398738948667,0.8888698512781852,0.9131228154341717,0.922554999657323,0.8999468850661366
EOS-3-26961,Cc1cc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nc5)nc4)n23)ccc1Cl,DHMJZGVVJXDUFD-UHFFFAOYSA-N,3,1,0.354,14,358,430.874,4.94,5,0.378,0.84,1.0,0.4157100267288054,0.5403930505105887,0.8846634911932013,0.8934702899047358,0.6835592145843328
EOS-3-26962,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1,UHGBVVWDKMTUFV-UHFFFAOYSA-N,3,1,0.441,80,355,462.477,3.018,6,0.367,0.63,1.0,0.46918477143444587,0.2528013844150504,0.2809780001370708,0.21362483722842848,0.30414724830374884
EOS-3-26963,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1F,OOFRHYBLJWLUHM-UHFFFAOYSA-N,3,1,0.536,20,353,416.42,2.742,5,0.42,0.71,1.0,0.7841134946199713,0.7320094578849976,0.3283959289973271,0.2991741484476732,0.5359232574874923
EOS-3-26964,c1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)s2)nc1,TXJNSBUPLDUYMM-UHFFFAOYSA-N,3,1,0.26,86,421,436.464,3.224,6,0.41,0.62,1.0,0.058066616407374406,0.09737166746624631,0.07968953464464396,0.09617229799191282,0.08282502912754437
EOS-3-26965,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4)n23)cn1,IJCBCKBDGWZDSV-UHFFFAOYSA-N,3,1,0.376,99,502,455.417,2.698,6,0.416,0.6,0.805,0.4668117332602289,0.5042663285587006,0.1984785141525598,0.187615653485025,0.33929305736412857
EOS-3-26966,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)n(C)n1,CADLWELWEHXKAA-UHFFFAOYSA-N,3,1,0.483,7,420,433.863,2.918,5,0.416,0.62,1.0,0.4090192584469879,0.42392570762798987,0.1410715509560688,0.1334898224933178,0.27687658488109107
EOS-3-26967,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nc1,FAYWBCLXXXZKKA-UHFFFAOYSA-N,3,1,0.27,94,892,433.439,2.501,6,0.412,0.6,0.983,0.04077856212733877,0.05582208210540744,0.11779521622918238,0.13557158522376808,0.08749186142142418
EOS-3-26968,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cc4)n23)cc1,LTZJKDGSKGTWFU-UHFFFAOYSA-N,3,1,0.577,1,138,430.418,4.765,5,0.386,0.77,1.0,0.944734768007676,0.8052566650675074,0.9369131656500582,0.9070917003632376,0.8984990747721198
EOS-3-26969,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)nc1,HJVXMDNGZFYIGP-UHFFFAOYSA-N,3,1,0.59,75,583,435.9,3.98,5,0.398,0.66,1.0,0.7006288122815434,0.7087759577821945,0.36947433349324926,0.41343122472757177,0.5480775820711398
EOS-3-26970,Clc1cnccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)ncn1,IRWBUUISZXYGDN-UHFFFAOYSA-N,3,1,0.3,32,368,463.892,4.421,6,0.378,0.74,0.999,0.2663114248509355,0.3194863271879926,0.5366921389897882,0.5980570214515798,0.4301367281200741
EOS-3-26971,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)c1,NOCXADLMDLXYDN-UHFFFAOYSA-N,3,1,0.325,64,449,463.892,4.421,6,0.378,0.74,0.994,0.18167877458707424,0.28365088067987115,0.49178431910081555,0.6103591254883147,0.3918682749640189
EOS-3-26972,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccccn1,XRSZASBGBKFRFH-UHFFFAOYSA-N,3,1,0.598,97,850,432.846,4.62,5,0.403,0.73,1.0,0.9314903022411075,0.9666489616887122,0.8352409019258447,0.8630320060311151,0.899103042971695
EOS-3-26973,c1ccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5ncccn5)n34)n2)cc1,JLKAYZZRPANHKC-UHFFFAOYSA-N,3,1,0.241,39,871,419.412,2.286,6,0.423,0.65,0.846,0.0017733534370502364,0.0034696045507504624,0.02517819203618669,0.04003323966828867,0.017613597423069016
EOS-3-26974,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nc6C)nc5)n34)c2)cn1,RHNROPNDAILHJM-UHFFFAOYSA-N,3,1,0.306,42,339,459.517,4.328,6,0.387,0.68,1.0,0.08564354739222808,0.03753169762182167,0.3508412720169968,0.2841648961688712,0.18954535329997943
EOS-3-26975,Cc1nc(-c2cccc(-c3nnc4cncc(COCCCc5cccnc5)n34)c2)n(C)n1,XWHUKXZYHMDJQV-UHFFFAOYSA-N,3,1,0.375,52,351,440.511,3.44,5,0.341,0.75,1.0,0.058075183332191076,0.008061476252484408,0.07765060653827702,0.07961243232129395,0.05584992461106161
EOS-3-26976,Cc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,AEMMSZZGUXTRAJ-UHFFFAOYSA-N,3,1,0.426,54,873,444.886,3.622,5,0.366,0.67,0.996,0.6120039750531149,0.5886334041532452,0.3846891919676513,0.397590980741553,0.4957293879788911
EOS-3-26977,COCn1ncc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)n1,ADECROJYWIOQNH-UHFFFAOYSA-N,3,1,0.565,43,372,449.421,3.511,5,0.375,0.68,1.0,0.6916763758481256,0.7041241176067439,0.682689671715441,0.6627458707422383,0.6853090089781372
EOS-3-26978,Cn1cncc1-c1nnc2cncc(OCc3cc(-c4ccc(Cl)nn4)ncc3F)n12,NKJXKQWXVVNUDN-UHFFFAOYSA-N,3,1,0.376,53,915,437.826,2.748,5,0.413,0.58,0.995,0.42044753615242275,0.3194948941128093,0.4029367418271537,0.42609313960660683,0.3922430779247481
EOS-3-26979,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)c1,GXZFOVIDEMDAQN-UHFFFAOYSA-N,3,1,0.284,70,392,423.465,3.762,6,0.459,0.69,1.0,0.15130902611198685,0.19338976081145912,0.2551401548900007,0.2841734630936879,0.22100310122678363
EOS-3-26980,COc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cncn4C)c(F)c3)n12,DZYVMVJUDPQNMK-UHFFFAOYSA-N,3,1,0.544,26,619,445.458,3.356,5,0.379,0.66,1.0,0.7192618737577959,0.5637036529367419,0.4986035912548831,0.3660646974162155,0.5369084538414091
EOS-3-26981,Cc1nn(C)cc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ncn3)n12,OESNRLWSMFQLME-UHFFFAOYSA-N,3,1,0.389,31,395,433.863,2.918,5,0.389,0.66,0.932,0.30379172092385714,0.35291446782263036,0.23029607292166404,0.2190734014118292,0.2765189157699952
EOS-3-26982,COc1ncc(-c2nnc3cncc(-c4ccc(F)c(-c5cncc(F)c5)n4)n23)cn1,AKTLDBCFYKCIRK-UHFFFAOYSA-N,3,1,0.291,50,155,418.367,2.992,5,0.439,0.7,0.992,0.49660749777259955,0.4592300047974779,0.4744791309711466,0.45456103077239396,0.47121941607840445
EOS-3-26983,Cn1nnc(-c2cnc(COc3cncc4nnc(-c5cc(Cl)ccc5F)n34)cn2)n1,AARACGRWBYWCOJ-UHFFFAOYSA-N,3,1,0.472,36,212,438.814,2.143,5,0.406,0.61,1.0,0.44114522650949217,0.5499451716811733,0.15936193543965457,0.25454047015283393,0.3512482009457885
EOS-3-26984,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)nc1,ROIDSQPGMBDIRH-UHFFFAOYSA-N,3,1,0.573,73,420,434.822,3.41,5,0.414,0.58,1.0,0.5862517990542115,0.6503066959084367,0.49506545130559937,0.5445223082722226,0.5690365636351176
EOS-3-26985,c1cnnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)ncn5)n34)cn2)c1,OVZNLKJIEOGJAP-UHFFFAOYSA-N,3,1,0.264,94,566,431.423,2.557,6,0.41,0.59,0.963,0.13220478377081762,0.10731786717839764,0.2265266260023302,0.22800013707079705,0.17351235350558564
EOS-3-26986,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)ccn2)cn1,POVMXYDLJDUHCD-UHFFFAOYSA-N,3,1,0.62,13,110,417.379,4.022,5,0.436,0.74,1.0,0.8791121239120006,0.7320180248098143,0.8033291069837571,0.7560996504694675,0.7926397265437599
EOS-3-26987,CCOc1cc(Cl)ccc1Cc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,MIURXHNTYWSSRR-UHFFFAOYSA-N,3,1,0.575,48,225,430.842,5.036,4,0.411,0.77,1.0,0.905198409978754,0.9160270029470221,0.9656551984099787,0.9507487492289768,0.934407340141183
EOS-3-26988,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cncs5)n4)n23)ccc1Cl,UTRLEVMJKXHZAX-UHFFFAOYSA-N,3,1,0.483,16,401,435.9,4.246,5,0.407,0.74,1.0,0.5892416558152286,0.7843448015900213,0.4885545884449318,0.5075645946131176,0.5924264101158249
EOS-3-26989,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)s1,PGIYODWVYVXNIV-UHFFFAOYSA-N,3,1,0.376,53,602,451.903,3.078,5,0.383,0.66,0.927,0.40689466109245426,0.4413936673291755,0.0569529161812076,0.08474402028647797,0.24749631622232884
EOS-3-26990,Cc1ccc(-c2nnc3cncc(-c4ccccc4OCCc4cccc(F)c4)n23)cn1,QXBHGPHZJFWHOE-UHFFFAOYSA-N,3,1,0.439,79,824,425.467,4.922,5,0.386,0.86,1.0,0.532237338085121,0.6121753135494483,0.8282074566513604,0.787677335343705,0.6900743609074087
EOS-3-26991,Cc1ncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nccn5C)c4)n23)cn1,QVDMZVQPTQUYKC-UHFFFAOYSA-N,3,1,0.56,65,353,430.447,3.051,5,0.408,0.63,1.0,0.8371513261599616,0.7412788705366322,0.33951579740936194,0.2782365841957371,0.5490456445754232
EOS-3-26992,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccncc5)cn4)n23)cc1,BBHCFFAXBKTVBI-UHFFFAOYSA-N,3,1,0.354,74,453,408.425,2.67,5,0.487,0.87,1.0,0.137404907134535,0.037540264546638336,0.2846960455075046,0.20472380234391063,0.16609125488314713
EOS-3-26993,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cn1,WQYOWICMQWBSTG-UHFFFAOYSA-N,3,1,0.355,82,204,408.425,2.67,5,0.487,0.87,0.998,0.20657425810431088,0.0780018504557604,0.1915821396751422,0.14255362894935233,0.15467796929614144
EOS-3-26995,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5nc(C)nn5C)n4)n23)cc1,QSKALYPRLKMIMJ-UHFFFAOYSA-N,3,1,0.547,15,563,444.474,3.359,5,0.396,0.64,1.0,0.6735744637105064,0.6401805907751353,0.11483106024261532,0.11813789322184909,0.38668100198752653
EOS-3-26996,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)ncn2)n1C,WCMHODUHLBMMME-UHFFFAOYSA-N,3,1,0.505,4,446,434.41,3.147,5,0.419,0.6,1.0,0.6315108628606675,0.6258395586320334,0.495074018230416,0.45139983551504353,0.5509560688095402
EOS-3-26997,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nc1,YLEWSJRZOQEVPZ-UHFFFAOYSA-N,3,1,0.534,87,262,414.404,2.799,5,0.418,0.78,1.0,0.8064131999177575,0.8490250839558632,0.28839695702830515,0.27514392433692003,0.5547447913097114
EOS-3-26998,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)nc2C)nn1,PNFCOSCUZWNSDC-UHFFFAOYSA-N,3,1,0.366,31,662,428.46,2.276,5,0.415,0.63,1.0,0.23129840312521419,0.11963710506476595,0.02210266602700295,0.008498389418134467,0.09538414090877939
EOS-3-26999,Cc1ccc(-c2nnc3cncc(Cc4cccc(-c5cc(Cl)ncn5)c4)n23)cn1,BCSYVQRZVGBERE-UHFFFAOYSA-N,3,1,0.393,14,81,413.872,4.196,5,0.411,0.86,1.0,0.27407305873483656,0.3382478925364951,0.6410115824823521,0.6513090261119868,0.47616038996641763
EOS-3-27000,Fc1ccc(F)c(-c2nnc3cncc(OCc4ccc(-c5csnn5)nc4)n23)c1,QJSNUWLSLUCXKK-UHFFFAOYSA-N,3,1,0.494,34,389,423.408,3.562,5,0.427,0.69,1.0,0.5426204509629223,0.5637122198615585,0.6582910698375711,0.677301076005757,0.6104812041669523
EOS-3-27001,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)cc1,YGSLTIHFFIBXPC-UHFFFAOYSA-N,3,1,0.466,59,560,450.836,4.759,5,0.384,0.76,1.0,0.7223202659173463,0.784353368514838,0.9170207662257556,0.9342402851072579,0.8394836714412994
EOS-3-27002,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)cnn4)n23)c1,DLTKBGDEDDQVEI-UHFFFAOYSA-N,3,1,0.429,54,873,448.849,3.452,5,0.389,0.59,0.998,0.6491073264341032,0.645217942567336,0.4885631553697485,0.5765711740113769,0.5898648995956411
EOS-3-27003,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nc1,CAEJNKVVFIUVFD-UHFFFAOYSA-N,3,1,0.429,54,873,448.849,3.452,5,0.389,0.59,0.998,0.6460403673497361,0.6306541703790007,0.48857172229456514,0.5799037077650606,0.5862924919470907
EOS-3-27004,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)n1,SMRBXEUWNDFGEQ-UHFFFAOYSA-N,3,1,0.521,65,578,429.419,2.502,5,0.375,0.68,1.0,0.7813463779041875,0.82453224590501,0.21594647385374546,0.1957884997601261,0.5044033993557673
EOS-3-27005,CCn1ncc(-c2nc(COc3cncc4nnc(-c5ccccc5F)n34)ccc2F)n1,JVLKUMFZHVHQRO-UHFFFAOYSA-N,3,1,0.489,4,10,434.41,3.322,5,0.404,0.63,1.0,0.41802309642930574,0.4900538002878487,0.277362757864437,0.3336303200603111,0.3797674936604756
EOS-3-27006,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cncs5)n34)c2)nc1,GSORESISXGBKKH-UHFFFAOYSA-N,3,1,0.44,65,65,421.421,2.255,5,0.407,0.69,1.0,0.6065040093208142,0.517459392776369,0.07969810156946062,0.1001987526557467,0.3259650640805976
EOS-3-27007,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ncc(F)c(C)n5)n34)c2)cs1,HAFHRHSEKPRHSC-UHFFFAOYSA-N,3,1,0.449,87,858,448.487,3.477,5,0.389,0.69,1.0,0.5322459050099376,0.5174679597011856,0.12344081968336645,0.10234048385991365,0.31887379206360084
EOS-3-27008,Cc1cnc(-c2cncc(-c3nnc4cncc(COc5ccc(Cl)c(C)c5)n34)c2)cn1,ADLIDYCCXABOOE-UHFFFAOYSA-N,3,1,0.386,85,767,443.898,4.493,5,0.395,0.7,1.0,0.4480844356109931,0.46799396888492906,0.6663182783907888,0.6163559728599822,0.5496881639366733
EOS-3-27009,Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)nn1,WIMOJNVXSFUWEK-UHFFFAOYSA-N,3,1,0.506,16,214,443.898,4.493,5,0.395,0.7,1.0,0.6403262284970187,0.7716657528613529,0.677378178329107,0.636942293194435,0.6815781132204783
EOS-3-27010,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cn1,LJLJMHSGFIFWBC-UHFFFAOYSA-N,3,1,0.542,75,530,444.886,3.622,5,0.366,0.68,1.0,0.722328832842163,0.7365499280378316,0.39574052498115275,0.372369954081283,0.5567473099856075
EOS-3-27011,COc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,VQFPUDZYKOAHBS-UHFFFAOYSA-N,3,1,0.484,35,710,443.442,3.413,5,0.377,0.65,0.999,0.8117161263792749,0.640189157699952,0.4538499760126105,0.3755482831882667,0.570325885820026
EOS-3-27012,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c(F)c1,FJXCRKYCIPVPCX-UHFFFAOYSA-N,3,1,0.478,26,55,433.422,3.927,5,0.378,0.69,1.0,0.6707902131450895,0.559420190528408,0.7663285587005688,0.697339113151943,0.6734695188815023
EOS-3-27013,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccc(Cl)nn5)n4)n23)c1,KURZMNQXUNWUFL-UHFFFAOYSA-N,3,1,0.33,10,507,472.835,2.474,6,0.376,0.66,0.332,0.03488451785347132,0.237492289767665,0.0988109108354465,0.2483551504351998,0.15488571722294564
EOS-3-27014,COc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5cnc(C)o5)c4)n23)c1,CCODVSJNYNEKMA-UHFFFAOYSA-N,3,1,0.648,91,655,445.454,4.524,5,0.364,0.76,1.0,0.8665615790555822,0.6843002535809746,0.75002570077445,0.607335001028031,0.7270556336097594
EOS-3-27015,Cn1nc(-c2cc(-c3cncc4nnc(-c5cnc(C(F)(F)F)nc5)n34)ncn2)nc1CO,DAOFWSKWXNSSDY-UHFFFAOYSA-N,3,1,0.264,50,489,455.364,1.345,5,0.421,0.59,0.525,0.17294051127407306,0.21710300870399563,0.17857754780344048,0.11353745459529847,0.1705396305942019
EOS-3-27016,Fc1ccnc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)c2)c1,XRELQOMYVFUPHE-UHFFFAOYSA-N,3,1,0.423,18,692,449.396,3.682,5,0.391,0.62,1.0,0.7099924611061613,0.6170241929956822,0.7777140017819204,0.7830940305667877,0.7219561716126379
EOS-3-27017,Cc1ncc(-c2cc(C#N)cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cn1,ORVKGFOJMYYSQX-UHFFFAOYSA-N,3,1,0.483,16,879,454.881,4.056,5,0.39,0.65,1.0,0.7813549448290041,0.7800099376327874,0.7906500582550887,0.7535210060996504,0.7763839867041327
EOS-3-27018,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cc(Cl)cs5)n4)n23)cn1,ZJOYEJSJBQMMOI-UHFFFAOYSA-N,3,1,0.283,99,286,462.89,2.339,6,0.387,0.66,1.0,0.06504009320814201,0.21218559385922828,0.016834007264752246,0.042526214789939,0.08414647728051539
EOS-3-27019,Cn1cncc1-c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc[nH]n5)s4)n23)cn1,SEAYNUDECDXUNH-UHFFFAOYSA-N,3,1,0.301,85,60,439.508,3.629,6,0.44,0.63,1.0,0.06903228017270921,0.11039339318758139,0.22653519292714688,0.21363340415324514,0.15489856761017065
EOS-3-27020,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cc(Cl)n2)c1,KTLLZZIFUSVRLY-UHFFFAOYSA-N,3,1,0.631,11,595,446.873,4.662,5,0.353,0.77,1.0,0.8533513809882805,0.9287488862997738,0.8188695086011926,0.8460694948941128,0.8617598176958399
EOS-3-27021,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccc(F)cn1,CXGOKQMHWAIOKZ-UHFFFAOYSA-N,3,1,0.433,95,477,434.41,2.882,5,0.405,0.62,0.99,0.4768693029949969,0.3285844013432938,0.36209821122609825,0.3975995476663697,0.39128786580768965
EOS-3-27022,Cc1nn(C)cc1-c1cnc(COc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)cn1,RKAUPGRHKRLJHI-UHFFFAOYSA-N,3,1,0.461,7,828,449.425,3.202,5,0.389,0.64,0.979,0.3759594955794668,0.31425193612500857,0.46406175039407854,0.35287163319854703,0.37678620382427525
EOS-3-27023,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5noc(C)c5Cl)nn4)n23)cn1,RLMLMJGISDJAHM-UHFFFAOYSA-N,3,1,0.483,4,617,434.847,3.481,5,0.409,0.72,0.998,0.5719964361592763,0.6170327599204989,0.16250599684737166,0.1685713796175725,0.38002664313617984
EOS-3-27024,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5nccnn5)c4)n23)cc1,UNGCCIRJOWFMAR-UHFFFAOYSA-N,3,1,0.615,36,659,417.82,2.666,5,0.425,0.65,0.998,0.8885614419847851,0.9349170721677746,0.2884055239531218,0.3789493523404839,0.6227083476115414
EOS-3-27026,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cccnn5)c4)n23)n(C)n1,FGIAJJPIKHMVFS-UHFFFAOYSA-N,3,1,0.472,36,534,416.42,3.008,5,0.435,0.73,1.0,0.4866355972859982,0.5359039819066548,0.3809882804468508,0.33694571996436157,0.4351183949009663
EOS-3-27027,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)nc1,MJUQUXBHDDYNMJ-UHFFFAOYSA-N,3,1,0.419,18,842,445.874,3.017,5,0.388,0.61,0.966,0.697724624768693,0.5730673017613598,0.1816873415118909,0.2105578781440614,0.41575928654650124
EOS-3-27028,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)cn1,FMINKPGMRNULGQ-UHFFFAOYSA-N,3,1,0.282,99,927,422.416,1.624,6,0.416,0.64,0.738,0.017296621204852307,0.02397025563703653,0.01684257418956891,0.01740799122746899,0.018879360564731683
EOS-3-27029,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ncn1,PLQPJBUBCSEGQM-UHFFFAOYSA-N,3,1,0.402,31,194,447.89,3.135,5,0.374,0.66,0.335,0.4364419847851415,0.31950346103762595,0.17541635254609006,0.1876242204098417,0.2797465046946748
EOS-3-27030,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(Cl)cn1,GNKDJFNQWAEXDD-UHFFFAOYSA-N,3,1,0.495,65,904,450.865,3.396,5,0.391,0.61,1.0,0.70063737920636,0.7412874374614489,0.5768110479062436,0.5799122746898773,0.6496620348159825
EOS-3-27031,Fc1ccc(-c2nnccc2-c2nnc3cncc(-c4nnc(-c5ccccc5F)[nH]4)n23)cc1,CJDSNXLJFWJRIO-UHFFFAOYSA-N,3,1,0.333,3,298,453.416,3.979,6,0.43,0.63,1.0,0.21470426975532864,0.4282520046604071,0.5923343156740456,0.7272205469124803,0.4906277842505654
EOS-3-27032,Cc1ncc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)cn5)c4)n23)cn1,SARUKBNYOSIXOI-UHFFFAOYSA-N,3,1,0.44,51,48,415.392,2.46,5,0.427,0.7,1.0,0.7006459461311767,0.5594287574532246,0.3430625042834624,0.26934411623603594,0.4681203310259749
EOS-3-27033,Fc1ccc(-c2cc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccn2)cn1,OKHLNODBBWRTRN-UHFFFAOYSA-N,3,1,0.376,85,81,433.397,4.311,5,0.384,0.7,0.963,0.37823829758070043,0.5221626345007196,0.8988074840655198,0.8646511548214653,0.6659648927421014
EOS-3-27035,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccnc(F)c5)c4)n23)cn1,GLUPJUIGGORSEK-UHFFFAOYSA-N,3,1,0.524,35,76,431.406,3.543,5,0.38,0.67,1.0,0.8011445411555068,0.7365584949626482,0.7752638612843533,0.7458536083887328,0.7647051264478104
EOS-3-27036,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)cn4)n23)ccn1,BJCFAYGITGKTMJ-UHFFFAOYSA-N,3,1,0.58,7,82,414.404,3.065,5,0.432,0.78,1.0,0.6315194297854843,0.54995373860599,0.38099684737166745,0.3087348365430745,0.467801213076554
EOS-3-27037,COCc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)c2)cn1,CJKFEWJOZSJOQD-UHFFFAOYSA-N,3,1,0.483,13,110,444.882,4.84,5,0.37,0.79,1.0,0.5775649372901104,0.5683897608114591,0.7500342676992666,0.735453361661298,0.6578605818655335
EOS-3-27038,Cc1ccc(-c2nnc3cncc(-c4ncc(CF)nc4-c4ncc(Cl)cn4)n23)nc1,JYWQGVFDXQIWHC-UHFFFAOYSA-N,3,1,0.303,50,206,433.838,3.532,5,0.423,0.6,0.987,0.2987029675827565,0.36740970461243233,0.12057946679459941,0.207422383661161,0.24852863066273734
EOS-3-27039,Cc1noc(C)c1-c1ccc(F)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,RUPRQNRNTQJMHR-UHFFFAOYSA-N,3,1,0.373,62,341,468.492,4.761,6,0.399,0.83,1.0,0.23403981906654786,0.26314166266876843,0.38469775889246793,0.40364779658693717,0.32138175930368035
EOS-3-27040,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)nc1,WKTMSSAYBYDCJZ-UHFFFAOYSA-N,3,1,0.467,18,949,432.394,2.938,5,0.403,0.6,1.0,0.7785107257898705,0.6170413268453157,0.46070351586594477,0.4671372764032623,0.5808482112260983
EOS-3-27041,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(Cl)nc5F)n34)cn2)c(F)cn1,SFTFKOYYLXXUMS-UHFFFAOYSA-N,3,1,0.31,96,575,439.788,4.381,5,0.388,0.7,1.0,0.4134397916523885,0.6503152628332534,0.9278836268932904,0.9434668631348091,0.7337763861284353
EOS-3-27043,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ncc(C)cn4)n23)cc1,UEGBSKCMFRSEMZ-UHFFFAOYSA-N,3,1,0.341,74,333,412.413,2.571,5,0.478,0.74,1.0,0.23130697005003084,0.09122061544787884,0.0962065656911795,0.05302069769035707,0.11793871221986156
EOS-3-27044,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cnc2Cl)nc1,RZFQOTCLHQQBAA-UHFFFAOYSA-N,3,1,0.39,50,243,454.803,4.435,5,0.396,0.7,0.472,0.41344835857720513,0.6992152696867933,0.8188780755260092,0.8423343156740456,0.6934690048660133
EOS-3-27045,Cc1cc(-c2nnc3cncc(COc4cccnn4)n23)cc(-c2cncc(Cl)c2)n1,ARTYNEPCVBBKMM-UHFFFAOYSA-N,3,1,0.352,85,351,430.859,3.579,5,0.416,0.62,1.0,0.4339661435131245,0.4723202659173463,0.4131742169830718,0.41653245151120555,0.433998269481187
EOS-3-27046,Cc1ccc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nn1,IKOQCYTWEFSYIY-UHFFFAOYSA-N,3,1,0.696,19,824,442.91,4.832,5,0.374,0.75,1.0,0.8247549859502433,0.8965458159139196,0.6636796655472551,0.6802737989171407,0.7663135665821397
EOS-3-27047,Clc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5)c4)n23)c1,HXHCPFLXEKTVJL-UHFFFAOYSA-N,3,1,0.56,35,137,428.883,4.523,5,0.395,0.74,1.0,0.8193920910150092,0.8490336508806798,0.7065485573298609,0.7639126859022686,0.7847217462819547
EOS-3-27048,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)c1,YTXORDYSLSUNFI-UHFFFAOYSA-N,3,1,0.523,59,521,436.397,4.188,5,0.387,0.7,1.0,0.7343824960592146,0.6599530532520047,0.9431927215406758,0.9235487629360565,0.8152692584469878
EOS-3-27049,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccnc(Cl)c4)nc3)n12,DHRSPUSKCAUDDZ-UHFFFAOYSA-N,3,1,0.5,35,76,447.861,4.057,5,0.362,0.72,1.0,0.8772788020012336,0.9252278802001234,0.7451596874785826,0.7639212528270852,0.8278969056267562
EOS-3-27050,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)c1,RHMXDMHKKKVTSN-UHFFFAOYSA-N,3,1,0.444,18,840,418.457,4.07,5,0.414,0.8,1.0,0.6768298951408402,0.5637207867863752,0.5891217188677952,0.5980655883763965,0.6069344972928518
EOS-3-27051,Cn1nccc1-c1cc(F)nc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)c1,QIIJRIZBNCNQCR-UHFFFAOYSA-N,3,1,0.43,46,469,454.828,3.492,5,0.375,0.67,1.0,0.39827633472688645,0.4282605715852238,0.7116544445205949,0.7085189500376945,0.5616775752175999
EOS-3-27052,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)cc1,HOCZLVWNIHQQGZ-UHFFFAOYSA-N,3,1,0.329,38,983,420.436,3.909,6,0.426,0.69,1.0,0.16218045370433828,0.08155712425467754,0.4170293331505723,0.38508327050921803,0.26146254540470154
EOS-3-27053,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cccc(-c4nncc(C)n4)n3)n12,AOUYWKSDRUSPQI-UHFFFAOYSA-N,3,1,0.31,52,423,479.504,2.915,6,0.39,0.75,0.997,0.1568004249194709,0.05973716674662463,0.04767493660475636,0.0437512850387225,0.0769909533273936
EOS-3-27054,Cc1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)c(F)c1,MBFQMJMNMPHTSY-UHFFFAOYSA-N,3,1,0.676,90,281,418.259,4.562,4,0.445,0.78,1.0,0.9455486258652595,0.9642159550407786,0.8917140703173189,0.9137739017202385,0.9288131382358988
EOS-3-27055,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cc2)nc1,PDCSNNLIAMAAED-UHFFFAOYSA-N,3,1,0.348,38,983,418.42,3.965,6,0.423,0.76,1.0,0.22035844013432937,0.130028784867384,0.4066205194983209,0.42299191282297305,0.29499991433075184
EOS-3-27056,Fc1cnnc(-c2ccc(Cc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nc2)c1,INZXQVHDAXBQOC-UHFFFAOYSA-N,3,1,0.37,45,81,435.825,4.166,5,0.421,0.59,1.0,0.4387464875608252,0.5886419710780618,0.862081077376465,0.902516962511137,0.6979966246316223
EOS-3-27057,Cc1ncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(-c2ccccn2)n1,BFNXJFHNOYHZLJ-UHFFFAOYSA-N,3,1,0.424,33,53,479.504,2.818,6,0.374,0.75,1.0,0.285047289424988,0.07801041738057707,0.03581831265848811,0.035518470289904736,0.10859862243848949
EOS-3-27058,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)nc1,GUQCWCXFPWWICT-UHFFFAOYSA-N,3,1,0.442,18,949,428.431,3.107,5,0.406,0.63,1.0,0.6315279967103009,0.5683983277362757,0.23393701596874786,0.22204612432321294,0.41397736618463443
EOS-3-27059,Cn1nccc1-c1cncc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)c1,NFYAEPDPKKJZPF-UHFFFAOYSA-N,3,1,0.471,2,980,436.838,3.353,5,0.417,0.61,1.0,0.5067421698307175,0.5174765266260023,0.6663268453156055,0.6568004249194709,0.586836491672949
EOS-3-27060,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5ncc(Cl)cn5)ncn4)n23)c1,UUOSEBPKQYRJBR-UHFFFAOYSA-N,3,1,0.466,46,842,435.81,2.805,5,0.41,0.56,0.698,0.5017133849633335,0.5450106229867727,0.31366081831265846,0.3850918374340347,0.43636916592419983
EOS-3-27061,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cn2)cc1,BGLCLALQYVCNIE-UHFFFAOYSA-N,3,1,0.333,30,945,418.42,3.965,6,0.423,0.74,1.0,0.17025906380645603,0.1371050647659516,0.3919796449866356,0.42300047974778976,0.28058606332670827
EOS-3-27062,c1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)ncn2)cc1,MRJPOGICIIIFHO-UHFFFAOYSA-N,3,1,0.388,93,553,418.42,3.965,6,0.423,0.74,1.0,0.17294907819888972,0.11621033513809882,0.42078164622027275,0.43845521211705846,0.2870990679185799
EOS-3-27063,Cn1nc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)n[nH]4)n23)cc1Cl,OZAXPECWGRZGFS-UHFFFAOYSA-N,3,1,0.394,36,963,425.815,2.681,5,0.46,0.63,0.997,0.31157048865739156,0.35794325269001437,0.31755876910424236,0.37237852100609964,0.339862757864437
EOS-3-27064,Cc1nccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cn5)n34)nc2)n1,KPXGXWZWNOUANU-UHFFFAOYSA-N,3,1,0.317,80,318,462.477,3.54,6,0.378,0.7,1.0,0.3711705846069495,0.18055650743609075,0.20190528407922692,0.1271074635049003,0.22018495990679188
EOS-3-27065,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1-c1ccccn1,DYVPKKBDNWJXEP-UHFFFAOYSA-N,3,1,0.436,95,493,434.41,2.882,5,0.405,0.61,0.992,0.45522068398327736,0.29914844767322324,0.41318278390788843,0.4230090466726064,0.3976402405592489
EOS-3-27066,CONC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cn4)n23)cc1,CYTKJIHJZXDMIK-UHFFFAOYSA-N,3,1,0.341,96,139,459.416,3.485,5,0.317,0.81,1.0,0.33666301144541155,0.2631502295935851,0.7822630388595709,0.6802823658419573,0.5155896614351312
EOS-3-27067,Cc1c(F)cc(-c2nnn(C)n2)cc1COc1cncc2nnc(-c3ccc(CO)cn3)n12,CAROAOGLNREHRZ-UHFFFAOYSA-N,3,1,0.424,36,760,447.434,1.896,5,0.415,0.66,1.0,0.46682030018504556,0.40076930984853676,0.29552463847577276,0.23380851209649783,0.34923069015146324
EOS-3-27068,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(F)nn5)c4)n23)c(F)c1,RAIRXPXNPOAUPW-UHFFFAOYSA-N,3,1,0.477,13,145,420.354,4.458,5,0.427,0.74,1.0,0.7434805702145157,0.8520663422657803,0.9218525118223563,0.9235573298608731,0.8602391885408813
EOS-3-27069,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nncnn6)cn5)n34)cc2)nc1,MTECOCWIPKQDPH-UHFFFAOYSA-N,3,1,0.548,56,415,461.449,2.469,6,0.361,0.62,1.0,0.4916643821533822,0.3720187101637996,0.17858611472825714,0.16077547803440476,0.300761171269961
EOS-3-27070,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cnc(Cl)cn1,GYHAVLHVWLQZSN-UHFFFAOYSA-N,3,1,0.44,31,569,433.863,2.652,5,0.402,0.63,0.997,0.43875505448564184,0.3770560619560003,0.15008395586320333,0.182329860873141,0.28705623329449664
EOS-3-27071,CCc1ccc(-n2cnc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)n2)cc1,IYJJERCBFFELCQ-UHFFFAOYSA-N,3,1,0.314,10,118,463.48,4.198,6,0.378,0.72,0.851,0.05981426906997464,0.24289801932698238,0.4394832430950586,0.4701442670139127,0.3030849496264821
EOS-3-27072,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cc(Cl)ncn5)c4)n23)cc1,VTEFSGPGQLTFDS-UHFFFAOYSA-N,3,1,0.454,89,707,473.884,2.63,5,0.369,0.67,1.0,0.710001028030978,0.4854961962853814,0.32478925364950995,0.2397539579192653,0.4400101089712836
EOS-3-27073,Fc1cc(-c2ncnc(CCc3cncc4nnc(-c5ccccc5Cl)n34)c2F)ccn1,AAYYLXOWIVBPIL-UHFFFAOYSA-N,3,1,0.395,14,358,449.852,4.36,5,0.371,0.72,1.0,0.3782468645055171,0.5784044959221438,0.6552412446028374,0.7809351655129875,0.5982069426358714
EOS-3-27074,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)n1,ULUJOJDODZJZKD-UHFFFAOYSA-N,3,1,0.321,98,746,467.884,3.154,6,0.384,0.66,1.0,0.16756904941402234,0.22774312932629703,0.14390720307038585,0.2367983688575149,0.19400443766705502
EOS-3-27075,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)n1,BZWOQRBSPXTZPY-UHFFFAOYSA-N,3,1,0.357,31,296,434.851,2.047,5,0.395,0.63,0.89,0.3736207251045165,0.30916318278390786,0.07540607223631006,0.0902696867932287,0.21211491672949076
EOS-3-27076,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccc2Cl)o1,STLXYDVJUHJAOI-UHFFFAOYSA-N,3,1,0.482,73,196,455.265,3.826,5,0.39,0.68,1.0,0.7038671098622439,0.8010246042080734,0.30994277294222466,0.40066650675073673,0.5538752484408197
EOS-3-27077,Cc1ccc(COc2cncc3nnc(-c4cncc(-c5nnc(C)s5)c4)n23)cn1,DPODCWYJWINVPJ-UHFFFAOYSA-N,3,1,0.608,92,142,416.47,3.296,5,0.43,0.82,1.0,0.38056850113083407,0.2026848742375437,0.1468285244328696,0.10234905078473032,0.2081077376464944
EOS-3-27078,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1cccc(F)c1F,LBJLRHYRNSVHJB-UHFFFAOYSA-N,3,1,0.6,59,570,454.387,4.327,5,0.37,0.77,0.999,0.6798283188266739,0.607386402576931,0.9503546706874101,0.9507573161537934,0.7970816770612021
EOS-3-27079,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cnncc5Cl)n34)cn2)c1,DEHDQIBGUUTDPZ-UHFFFAOYSA-N,3,1,0.512,58,981,448.849,3.452,5,0.389,0.64,1.0,0.8486995408128298,0.907956959769721,0.5632667397710918,0.62497429922555,0.7362243848947982
EOS-3-27080,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)c2)nn1,ZCWASANSVFSUBU-UHFFFAOYSA-N,3,1,0.282,42,957,465.908,4.364,6,0.381,0.74,1.0,0.04795764512370639,0.1933983277362758,0.5954355424576794,0.6540247412788706,0.37270406414913304
EOS-3-27081,Cc1nc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)nn2)n(C)n1,UJDYNPVCVPGXPR-UHFFFAOYSA-N,3,1,0.295,99,356,466.444,2.343,6,0.38,0.64,0.346,0.11842060174079912,0.19340689466109245,0.03706051675690494,0.07608285929682682,0.10624271811390582
EOS-3-27082,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccccc5)n34)ccc2Cl)cn1,ZGCZTUSGWQEDPO-UHFFFAOYSA-N,3,1,0.58,1,709,432.846,4.62,5,0.403,0.7,1.0,0.9543211568775273,0.9666575286135289,0.8559642930573641,0.8754540470152834,0.9130992563909259
EOS-3-27083,c1ccc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccn5)n34)nc2)nc1,QEKHAPZIKGEQFY-UHFFFAOYSA-N,3,1,0.349,32,687,434.488,4.434,6,0.405,0.72,1.0,0.03638372969638819,0.1334298540196011,0.2303046398464807,0.2868549105613049,0.17174328353094373
EOS-3-27084,Cn1ncnc1COc1cncc2nnc(-c3ccc(-c4ccnc(F)c4)cc3F)n12,LSCOZTRFSWWDPO-UHFFFAOYSA-N,3,1,0.449,16,610,420.383,2.839,5,0.404,0.69,1.0,0.4691933383592626,0.5784130628469605,0.5022274004523336,0.5241244602837366,0.5184895654855732
EOS-3-27085,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4Cl)n23)n(C)n1,FSKSUUXBLAUCMU-UHFFFAOYSA-N,3,1,0.429,92,662,433.863,2.918,5,0.389,0.69,1.0,0.32401823041600986,0.4460283736549928,0.11175553423343157,0.10875711054759783,0.24763981221300801
EOS-3-27086,Fc1ccc(Cc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1Cl,SWFIMZAZILQUCW-UHFFFAOYSA-N,3,1,0.424,14,358,416.847,4.632,5,0.427,0.81,1.0,0.46920190528407923,0.5978771160304297,0.9262302104036735,0.9410938249605921,0.7336007641696937
EOS-3-27087,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1,WQQSWMRITXQDFD-UHFFFAOYSA-N,3,1,0.338,64,449,463.892,4.421,6,0.378,0.72,1.0,0.23404838599136454,0.34821122609827976,0.44654238914399286,0.5605681584538414,0.39734253992186963
EOS-3-27088,Fc1cccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4F)n23)c1,RNSIGXZIVHFTMK-UHFFFAOYSA-N,3,1,0.354,3,50,465.427,4.046,6,0.384,0.67,1.0,0.3168048797203756,0.44603694057980947,0.6612552258241382,0.7406192173257488,0.541179065862518
EOS-3-27089,Fc1cccnc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)ccn1,DEUCBVJUAZAIMN-UHFFFAOYSA-N,3,1,0.506,73,980,451.824,4.154,5,0.396,0.67,1.0,0.864454115550682,0.8245408128298266,0.8207799328353095,0.8477314783085463,0.839376584881091
EOS-3-27090,CCn1cc(-c2cnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nc2C)cn1,ZBJVPCKWPWIFDN-UHFFFAOYSA-N,3,1,0.417,65,349,445.462,2.929,5,0.352,0.71,1.0,0.35269172777739705,0.2577445000342677,0.14683709135768624,0.11354602152011514,0.21770483517236655
EOS-3-27091,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nn2C)nn1,AHAWTLVJGBHFRH-UHFFFAOYSA-N,3,1,0.388,53,602,448.878,2.355,5,0.385,0.65,1.0,0.3435679528476458,0.32423240353642657,0.04437667055033925,0.057252758549790964,0.19235744637105065
EOS-3-27092,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)[nH]n2)cn1,XBTKQBZWTJOIOE-UHFFFAOYSA-N,3,1,0.418,55,963,440.801,3.482,5,0.417,0.63,1.0,0.6735830306353231,0.5311236378589541,0.8052994996915908,0.8184411623603591,0.7071118326365566
EOS-3-27093,Cc1nc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nn6)cc5)n34)nn2)nn1C,MMYMXGMQKGWBOI-UHFFFAOYSA-N,3,1,0.338,98,63,466.444,2.343,6,0.38,0.63,0.855,0.18433452128024125,0.23750085669248167,0.039939003495305325,0.05438283873620725,0.12903930505105887
EOS-3-27094,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ncsn5)c4)n23)n1,IXPKVQHQHFMNOC-UHFFFAOYSA-N,3,1,0.512,20,325,434.46,3.169,5,0.401,0.65,1.0,0.7869148790350216,0.7758892467959702,0.19848708107737648,0.19579706668494276,0.4892720683983277
EOS-3-27095,Cn1cc(-c2nnc3cncc(OCCc4ncccn4)n23)cc(-c2ncccc2F)c1=O,DKIJUWPPTYGBCO-UHFFFAOYSA-N,3,1,0.427,65,795,444.43,2.103,5,0.391,0.61,1.0,0.3962117058460695,0.1934154615859091,0.15009252278802002,0.16857994654238914,0.22707490919059695
EOS-3-27096,COCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,WYJZSJPGDHWUII-UHFFFAOYSA-N,3,1,0.813,90,948,413.84,3.747,4,0.459,0.77,1.0,0.8990130902611199,0.9033308203687205,0.8262199300938935,0.7946850798437393,0.8558122301418682
EOS-3-27097,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)nc1C,KFWCYINANMUEQC-UHFFFAOYSA-N,3,1,0.505,87,304,442.458,3.416,5,0.394,0.63,1.0,0.7315468439448976,0.780018504557604,0.23730381742169832,0.2014598039887602,0.48758224247824006
EOS-3-27099,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1,QHVIFIKZZYHHEU-UHFFFAOYSA-N,3,1,0.529,15,353,449.877,4.001,5,0.389,0.64,1.0,0.8939671715441025,0.8245493797546433,0.6081145911863477,0.6194314988691659,0.736515660338565
EOS-3-27101,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(Cl)c1,QGSGPYPTUZTTPZ-UHFFFAOYSA-N,3,1,0.547,37,161,449.877,4.001,5,0.389,0.68,1.0,0.7434891371393325,0.7458364745390994,0.7523387704749503,0.7458621753135495,0.746881639366733
EOS-3-27102,COc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1cncn1C,SSUVNWGBLDUDCK-UHFFFAOYSA-N,3,1,0.511,35,982,461.913,3.87,5,0.363,0.69,1.0,0.6828010417380577,0.5450191899115894,0.6314851620862175,0.5276283325337536,0.5967334315674044
EOS-3-27103,OCc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cn1,GICYMAYXQLALHK-UHFFFAOYSA-N,3,1,0.458,65,858,431.481,2.819,5,0.419,0.64,1.0,0.40902782537180454,0.3529230347474471,0.28841409087793846,0.23381707902131452,0.3210455075046261
EOS-3-27104,Fc1cccnc1-c1ccnc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,AUOSADQWIHDQAE-UHFFFAOYSA-N,3,1,0.402,46,564,451.824,4.154,5,0.396,0.65,1.0,0.7343910629840312,0.6648019326982386,0.8400212459735453,0.8630405729559317,0.7755637036529367
EOS-3-27105,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6nncn6C)c(F)c5)n34)nc2)c1,OMKKJMYMOOZUKG-UHFFFAOYSA-N,3,1,0.284,99,968,453.445,2.583,6,0.4,0.59,1.0,0.20658282502912753,0.30414296484134057,0.16894832430950585,0.18233842779795764,0.2155031354944829
EOS-3-27107,COCc1ccncc1COc1cncc2nnc(-c3ccc(-c4cn(C)cn4)cn3)n12,LTPFTCZJTRYOBB-UHFFFAOYSA-N,3,1,0.381,7,62,428.456,2.707,5,0.39,0.69,1.0,0.3597680076759646,0.1371136316907683,0.36567061887464875,0.22800870399561374,0.27264024055924885
EOS-3-27108,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cnn2)cn1,WTQSXUNSRONBKU-UHFFFAOYSA-N,3,1,0.3,42,608,432.451,3.106,6,0.418,0.57,1.0,0.058083750257007745,0.0520269344116236,0.3322339113151943,0.2991827153724899,0.1853818278390789
EOS-3-27109,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccn1,FFRWVUIDQKRBAT-UHFFFAOYSA-N,3,1,0.441,27,45,435.398,2.893,5,0.401,0.63,0.973,0.5273713247892536,0.43287814406140773,0.47111232951819615,0.36607326434103216,0.44935876567747246
EOS-3-27110,Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)c(C)c5)n34)c2)nc1,QERJPJMINXZATE-UHFFFAOYSA-N,3,1,0.529,97,214,426.455,4.583,5,0.409,0.75,1.0,0.8623295181961483,0.7365670618874649,0.809574395175108,0.72459906791858,0.7832675107943253
EOS-3-27111,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)ncn1,ITFOBCXSQCSENV-UHFFFAOYSA-N,3,1,0.642,43,11,446.873,4.928,5,0.381,0.8,1.0,0.9447433349324926,0.8916712356932356,0.8964772805153862,0.8810139812213008,0.9034764580906038
EOS-3-27112,Fc1cncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)c1,DQFDITLVQMJPQF-UHFFFAOYSA-N,3,1,0.506,13,573,436.809,4.972,5,0.395,0.76,1.0,0.8167363443218423,0.7800270714824207,0.9391662668768419,0.9540041806593106,0.8724834658351038
EOS-3-27113,c1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1,FFPIZOMGSVLKBJ-UHFFFAOYSA-N,3,1,0.347,69,645,427.471,4.977,6,0.395,0.81,1.0,0.13992358303063532,0.13003735179220066,0.6909310533890755,0.7218747858268796,0.42069169350969776
EOS-3-27114,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccncc6)n5)n34)nc2)cc1,KMPDELLGDGHTBM-UHFFFAOYSA-N,3,1,0.293,30,93,427.471,4.977,6,0.395,0.81,1.0,0.09063806456034541,0.09437324378041258,0.6020320745665136,0.6513175930368035,0.3595902439860188
EOS-3-27115,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc(C)n2)nn1,SXNQJZJZCVBEGJ-UHFFFAOYSA-N,3,1,0.424,31,477,443.446,2.811,5,0.39,0.61,0.608,0.577573504214927,0.4460455075046261,0.1289407854156672,0.12045952984716606,0.3182548317455966
EOS-3-27116,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)ccc1-c1ccccn1,HBPAHMWFHCFTGP-UHFFFAOYSA-N,3,1,0.495,72,777,443.442,3.413,5,0.377,0.63,1.0,0.8395843328078952,0.7716743197861695,0.42802069769035705,0.35288020012336374,0.5980398876019464
EOS-3-27117,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,SXLTVZVMOYEXKA-UHFFFAOYSA-N,3,1,0.329,64,885,445.461,5.116,6,0.375,0.82,1.0,0.2636642450825852,0.3482197930230964,0.6663354122404221,0.7535295730244671,0.5079372558426427
EOS-3-27118,Fc1cc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)ccc1Cl,AOEGFFGRVPAFQG-UHFFFAOYSA-N,3,1,0.267,10,827,471.847,3.079,6,0.381,0.68,0.694,0.033642313755054484,0.1890291960797752,0.185062709889658,0.3820677129737509,0.19745048317455965
EOS-3-27119,Cc1nn(C)c(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,PXGFGBUGRUJDMX-UHFFFAOYSA-N,3,1,0.588,4,677,445.914,4.436,5,0.398,0.73,1.0,0.539973271194572,0.7501199369474334,0.43560242615310807,0.4134397916523885,0.5347838564868754
EOS-3-27120,c1ccc(-c2ncsc2-c2nnc3cncc(-c4cncc(-c5cncnc5)c4)n23)nc1,BSFQIWOVHWECBQ-UHFFFAOYSA-N,3,1,0.281,94,165,435.476,3.829,6,0.411,0.66,0.999,0.04520766225755603,0.09122918237269549,0.2339455828935645,0.2960386539647728,0.1666052703721472
EOS-3-27121,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccccc5Cl)nn4)n23)cn1,BNWNDOBIMBAIDX-UHFFFAOYSA-N,3,1,0.389,14,81,413.872,4.196,5,0.439,0.83,1.0,0.2554314303337674,0.37202727708861627,0.512816119525735,0.6040624357480638,0.4360843156740456
EOS-3-27122,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cn4)n23)cn1,LLCVLEBYIGZJGJ-UHFFFAOYSA-N,3,1,0.326,82,155,475.419,2.826,5,0.377,0.7,1.0,0.5220512644781029,0.4460540744294428,0.33224247824001096,0.21638338701939552,0.37918280104173807
EOS-3-27123,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)c1,CMIGDYKKQCJZLX-UHFFFAOYSA-N,3,1,0.465,2,980,437.826,2.748,5,0.413,0.6,1.0,0.46682886710986227,0.494971215132616,0.5093807826742512,0.5375830991707217,0.5021909910218628
EOS-3-27124,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(Oc4ccccc4)nn3)n12,UEXZUKZGCLDPOB-UHFFFAOYSA-N,3,1,0.541,34,146,449.833,4.14,5,0.381,0.7,1.0,0.859887944623398,0.9533273935987938,0.5536375162771572,0.6309111781235008,0.7494410081557126
EOS-3-27125,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnnn5C)c(F)c4)n23)ncn1,SBIZKWXIGKVLRX-UHFFFAOYSA-N,3,1,0.489,37,563,431.435,2.446,5,0.403,0.64,1.0,0.5399818381193887,0.5130388595709684,0.2517904872866836,0.21639195394421218,0.38030078473031326
EOS-3-27126,COc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,XENWFMUSUSDLGJ-UHFFFAOYSA-N,3,1,0.578,97,232,444.882,4.489,5,0.381,0.71,1.0,0.9379668974025084,0.9333493249263245,0.7298420259063807,0.6742769515454733,0.8188587999451717
EOS-3-27127,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C#N)c5F)n34)cc2F)n1,LWZVRSBPNGICKC-UHFFFAOYSA-N,3,1,0.5,59,607,463.379,4.018,5,0.384,0.76,1.0,0.9037763004591872,0.8387276403262285,0.8964858474402029,0.8597937084504146,0.8746958741690083
EOS-3-27129,CCn1cncc1-c1cnc(C)c(-c2nnc3cncc(OCc4ccc(F)cn4)n23)c1,IHXDUOBIXVYHDR-UHFFFAOYSA-N,3,1,0.468,7,328,430.447,3.491,5,0.407,0.68,0.818,0.4112466588993215,0.4100387225001713,0.3773387704749503,0.2930573641285724,0.3729203790007539
EOS-3-27130,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccon5)nc4)n23)c1,RZZQARXENZRINZ-UHFFFAOYSA-N,3,1,0.553,58,304,419.832,3.511,5,0.411,0.74,0.999,0.6287009115208005,0.7181053389075458,0.377347337399767,0.42301761359742307,0.5367928003563842
EOS-3-27131,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3cc(Cl)ccn3)n12,CTOIENNNHWXDCB-UHFFFAOYSA-N,3,1,0.6,97,71,432.846,4.62,5,0.403,0.74,1.0,0.7434977040641492,0.8783668014529504,0.8677866493043657,0.8906003700911521,0.8450628812281543
EOS-3-27132,N#Cc1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc(C(F)(F)F)n1,ZAIZASIJIMIDJO-UHFFFAOYSA-N,3,1,0.518,68,127,447.327,3.988,4,0.427,0.64,1.0,0.934677198272908,0.9139880748406553,0.9905249811527654,0.959744020286478,0.9497335686382017
EOS-3-27133,COc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,JMBTWDSNRTWBFX-UHFFFAOYSA-N,3,1,0.667,59,11,462.872,4.628,5,0.363,0.77,1.0,0.9416164073744089,0.8941727777397026,0.8620896443012817,0.8184497292851758,0.8790821396751423
EOS-3-27134,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)cn1,QWWJQDOUQGWSQQ-UHFFFAOYSA-N,3,1,0.313,42,106,448.465,4.455,6,0.396,0.72,0.999,0.26893290384483587,0.3242409704612432,0.6582996367623878,0.6596789116578713,0.4777881056815846
EOS-3-27135,Fc1cc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,DIRNLVPYCJLFRA-UHFFFAOYSA-N,3,1,0.523,11,384,448.408,4.287,5,0.361,0.75,1.0,0.8511325474607635,0.805265231992324,0.8964944143650195,0.897565279967103,0.8626143684463026
EOS-3-27136,Cc1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)cc1C(F)F,OPBFCVOFTMYRRT-UHFFFAOYSA-N,3,1,0.531,68,900,436.344,4.425,4,0.431,0.64,1.0,0.8828473031320677,0.8613614556918648,0.9830032211637311,0.9331779864299911,0.9150974916044137
EOS-3-27137,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ncn1,PUHWNRCAJIJOBC-UHFFFAOYSA-N,3,1,0.388,31,395,433.863,3.092,5,0.402,0.64,0.968,0.4458484682338428,0.3333219107669111,0.26588307861010213,0.27215406757590294,0.3293018812966897
EOS-3-27138,Cn1c(C#N)ccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cnn1,ZQVKNTDGIQCHNF-UHFFFAOYSA-N,3,1,0.371,53,915,443.858,3.086,5,0.406,0.6,0.217,0.5862603659790282,0.5784216297717771,0.519781029401686,0.5241330272085533,0.5521490130902611
EOS-3-27139,Cn1ncc(-c2cnc(-c3cncc4nnc(-c5cncnc5-c5ccncn5)n34)nc2)n1,IWIOXZAVXYXCQV-UHFFFAOYSA-N,3,1,0.247,86,892,435.415,1.291,6,0.394,0.58,1.0,0.09522993626207936,0.026334726886436843,0.03183469261873758,0.02935885134672058,0.04568955177849359
EOS-3-27140,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)c2)o1,MSONSCQIXWGZPT-UHFFFAOYSA-N,3,1,0.494,15,655,435.875,3.763,5,0.4,0.68,1.0,0.4692104722088959,0.5085583578918511,0.26237063943526834,0.27216263450071965,0.3780755260091837
EOS-3-27141,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)cn4)n23)c(F)c1,HVNZXCZRZKEHRE-UHFFFAOYSA-N,3,1,0.406,63,9,406.396,2.948,5,0.551,0.86,1.0,0.22884826262764718,0.27849359194023715,0.38470632581728464,0.5008138578575835,0.34821550956068814
EOS-3-27142,CCc1nc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1cnc(C)cn1,VQNFCQVFPOPYBC-UHFFFAOYSA-N,3,1,0.478,7,690,429.509,4.155,5,0.4,0.71,0.902,0.30889760811459116,0.2785021588650538,0.13480056199026796,0.0982283599479131,0.20510717222945649
EOS-3-27143,COc1cc(-c2nnc3cncc(OCc4ccc(F)nn4)n23)ccc1-c1ccc(F)nn1,OQEBKNBOSAYVBI-UHFFFAOYSA-N,3,1,0.473,72,224,448.393,2.904,5,0.387,0.6,1.0,0.7841220615447879,0.7320265917346309,0.536700705914605,0.43568809540127473,0.6221343636488247
EOS-3-27144,CCc1cc(-c2cnc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cn2)ccn1,ARMIENZXQRZRKH-UHFFFAOYSA-N,3,1,0.257,86,953,458.489,3.725,6,0.38,0.65,0.997,0.13472345966691796,0.04842025906380645,0.15937050236447126,0.16307141388527174,0.12639640874511687
EOS-3-27145,COc1ccc(-c2nnc3cncc(-c4cccc(-c5cnc(C)c(F)n5)c4)n23)nc1,TZWOQTIXYCMIRV-UHFFFAOYSA-N,3,1,0.357,96,523,413.416,3.766,5,0.443,0.81,1.0,0.3962202727708862,0.4194880405729559,0.5093893495990679,0.4230261805222397,0.4370309608662874
EOS-3-27146,Cc1cnc(-c2nnccc2-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1,UZRBSUOVCHVYAQ-UHFFFAOYSA-N,3,1,0.468,50,121,432.394,3.615,5,0.415,0.6,1.0,0.48921424165581523,0.5594373243780413,0.6256767870605168,0.6010383112877802,0.5688416660955384
EOS-3-27147,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)cnn4)n23)cc1F,UBHUFUIUJWSVJU-UHFFFAOYSA-N,3,1,0.439,4,788,474.431,2.86,5,0.373,0.7,1.0,0.5477691727777397,0.4007778767733534,0.6081231581111645,0.5043691316565005,0.5152598348296895
EOS-3-27148,COCCn1ncnc1-c1cncc2nnc(-c3cc(F)c(-c4cnco4)c(F)c3)n12,UKKJSYXNKYQHCH-UHFFFAOYSA-N,3,1,0.32,50,844,424.371,2.629,5,0.409,0.65,0.799,0.20385854293742717,0.23750942361729832,0.24443149886916593,0.32400109656637655,0.252450140497567
EOS-3-27149,CCn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,QJRNSAXQSZAIEQ-UHFFFAOYSA-N,3,1,0.304,67,668,433.479,3.922,6,0.409,0.61,1.0,0.015497566993352066,0.028759166609553834,0.28098656706188746,0.3056935782331574,0.1577342197244877
EOS-3-27150,Cc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cn(C)nc5C)c4)n23)n1,ROEIHUCQTSQGGJ-UHFFFAOYSA-N,3,1,0.512,20,279,444.474,3.359,5,0.396,0.66,1.0,0.5530121307655405,0.5085669248166678,0.317567336029059,0.25135357412103354,0.4076249914330752
EOS-3-27151,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)[nH]n1,XMNPHJCDHNALBQ-UHFFFAOYSA-N,3,1,0.457,58,963,436.838,3.385,5,0.406,0.66,1.0,0.6315365636351176,0.513047426495785,0.5056798711534508,0.5765797409361936,0.5567109005551367
EOS-3-27153,Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)nn1,FIXQAGLQDMESBT-UHFFFAOYSA-N,3,1,0.511,34,10,447.861,4.323,5,0.396,0.68,1.0,0.7925176478651224,0.9139966417654719,0.7613511753820849,0.7639298197519019,0.8079488211911453
EOS-3-27154,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,JDFHMOHXPZCDAS-UHFFFAOYSA-N,3,1,0.558,73,263,466.839,3.591,5,0.374,0.69,1.0,0.9252193132753067,0.9533359605236105,0.595444109382496,0.6369508601192516,0.7777375608251662
EOS-3-27155,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncnc4-c4ncco4)n23)cc1,SWCYZAROXPJEMY-UHFFFAOYSA-N,3,1,0.286,98,642,422.412,2.699,6,0.421,0.63,1.0,0.15934480159002123,0.0597457336714413,0.12894935234048385,0.1379874580220684,0.1215068364060037
EOS-3-27156,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)nc1,AJCKCHRJGMBNQW-UHFFFAOYSA-N,3,1,0.253,70,652,422.412,2.699,6,0.421,0.63,1.0,0.13741347405935164,0.06737029675827565,0.13480912891508465,0.12711603042971695,0.11667723254060722
EOS-3-27157,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccnc(-c5csnn5)c4)n23)cc1,BCFQPDQOSURVBV-UHFFFAOYSA-N,3,1,0.325,94,515,453.466,3.968,6,0.395,0.69,1.0,0.12365499280378316,0.2836594476046878,0.4356109930779247,0.5241415941333699,0.3417667569049414
EOS-3-27158,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)c4)n23)cn1,DUBKXALJMVAKBW-UHFFFAOYSA-N,3,1,0.542,2,346,414.404,3.065,5,0.432,0.75,1.0,0.8167449112466589,0.7041326845315605,0.4280292646151737,0.3559899938318141,0.5762242135563018
EOS-3-27159,Cn1ncc(-c2nnc(CCc3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)nn2)n1,YDALLNZDUAHUMT-UHFFFAOYSA-N,3,1,0.386,36,784,429.404,0.65,5,0.403,0.59,0.987,0.0976715098348297,0.0028270851895003768,0.004154958536083888,0.0016705503392502228,0.026581025974916045
EOS-3-27160,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C(F)F)cn5)cnn4)n23)nc1,BSWFGDLKXOFXRY-UHFFFAOYSA-N,3,1,0.4,46,128,451.372,3.089,5,0.384,0.6,1.0,0.5399904050442054,0.5784301966965938,0.6286666438215338,0.5671132890137757,0.5785501336440272
EOS-3-27161,Fc1cccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,HPEKMDLBCYXLSG-UHFFFAOYSA-N,3,1,0.306,98,154,437.402,2.63,6,0.413,0.59,0.985,0.3063617983688575,0.29429100130217256,0.21956171612637929,0.27824515112055376,0.2746149167294908
EOS-3-27162,Cc1ncnc(CCOc2cncc3nnc(-c4cc(F)cc(-c5nncn5C)c4)n23)c1C,LFOJUPPOTGSYOJ-UHFFFAOYSA-N,3,1,0.511,36,908,445.462,2.754,5,0.393,0.62,1.0,0.5192327462134192,0.39562915495853607,0.11483962716743198,0.10235761770954697,0.2830147865122335
EOS-3-27163,N#Cc1cc(-c2ncccn2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,LIVMRIFLMMEIDZ-UHFFFAOYSA-N,3,1,0.6,35,632,420.436,3.136,5,0.411,0.66,1.0,0.9115636351175382,0.7134106641080118,0.55013364402714,0.49437153039544923,0.6673698684120348
EOS-3-27164,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccc(Cl)nc1,GGCFSWLSOROUFL-UHFFFAOYSA-N,3,1,0.454,95,235,450.865,3.396,5,0.366,0.69,0.994,0.49167294907819886,0.47683503529573024,0.43561956000274143,0.48830614762524843,0.4731084230004797
EOS-3-27165,Cc1cc(-c2nnnn2C)ccc1-c1nnc2cncc(Oc3ccc(-c4cnn(C)c4)nc3)n12,LOWZZFNTWHVVFB-UHFFFAOYSA-N,3,1,0.419,71,866,465.481,2.878,6,0.378,0.71,1.0,0.23963402097183195,0.1934240285107258,0.15308237954903708,0.11355458844493181,0.17492375436913166
EOS-3-27166,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)sn1,BMXUAAJHGKSBOG-UHFFFAOYSA-N,3,1,0.529,36,895,441.427,2.955,5,0.396,0.64,0.998,0.5220598314029196,0.472328832842163,0.262379206360085,0.30220683983277363,0.38974367760948525
EOS-3-27167,FC(F)c1ccccc1-c1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccn1,WACVIXUDDCFYSB-UHFFFAOYSA-N,3,1,0.524,75,846,445.433,4.202,5,0.371,0.7,1.0,0.752373038174217,0.7412960043862655,0.7588324994859845,0.7055376602014941,0.7395098005619902
EOS-3-27168,Cc1cnc(-c2ccnc(-c3nnc4cncc(COc5cc(C#N)ccn5)n34)c2)cn1,FWTLTZQPSWYEPM-UHFFFAOYSA-N,3,1,0.288,7,720,421.424,2.797,5,0.421,0.64,1.0,0.35512473442533066,0.28366801452950446,0.37351792200671646,0.28686347748612157,0.3247935371119183
EOS-3-27169,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ncc5F)cnn4)n23)cc1,QYVNYTREIBHUDY-UHFFFAOYSA-N,3,1,0.529,34,534,435.369,3.64,5,0.389,0.68,1.0,0.8511411143855802,0.8987303817421698,0.8732352134877664,0.8754626139401,0.8746423308889042
EOS-3-27170,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,OYYDQFPWIMSAMY-UHFFFAOYSA-N,3,1,0.512,75,583,432.875,3.257,5,0.406,0.67,1.0,0.5167569049414023,0.4855047632101981,0.19849564800219313,0.2513621410458502,0.3630298642999109
EOS-3-27171,Cc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccnnc5)s4)n23)c(F)c1,KBPYTGZGSRWCJD-UHFFFAOYSA-N,3,1,0.467,36,534,420.433,3.126,5,0.427,0.72,1.0,0.509337948050168,0.6843088205057912,0.20558906175039407,0.24263244465766567,0.41046706874100475
EOS-3-27172,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)nc1F,SGIGGSSJFSTHJH-UHFFFAOYSA-N,3,1,0.262,94,165,451.429,2.64,6,0.372,0.63,0.353,0.11006785004454801,0.20269344116236035,0.22294565142896305,0.23976252484408198,0.19386736686998834
EOS-3-27173,Cn1nc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ccc(Cl)c(Cl)c1,XIWFYFGAKCEIFT-UHFFFAOYSA-N,3,1,0.467,95,998,467.32,3.91,5,0.374,0.73,0.998,0.4180316633541224,0.40536118155027073,0.4607120827907614,0.5671218559385923,0.4628066959084367
EOS-3-27174,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)c1,FBWRVMQTQBBXIY-UHFFFAOYSA-N,3,1,0.47,2,184,420.383,2.839,5,0.431,0.64,1.0,0.5950928654650127,0.4637276403262285,0.5954526763073127,0.5508104310876568,0.5512709032965527
EOS-3-27175,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)cc1F,IMHDWUDIVTWAJP-UHFFFAOYSA-N,3,1,0.454,4,675,460.404,2.599,5,0.382,0.64,1.0,0.6491158933589198,0.38629977383318487,0.5923428825988624,0.5008224247824001,0.5321452436433418
EOS-3-27176,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cn(C)nn6)c5)n34)cn2)n1,OMPJJQZLYKIQKU-UHFFFAOYSA-N,3,1,0.261,99,719,438.415,1.797,6,0.396,0.59,1.0,0.11286066753478172,0.0815656911794942,0.03184325954355425,0.02851072578987047,0.06369508601192517
EOS-3-27177,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cccnc5F)c4)n23)nc1,SFSNJEBSHWNIRZ-UHFFFAOYSA-N,3,1,0.279,70,899,450.441,3.245,6,0.376,0.63,1.0,0.1816873415118909,0.21711157562881228,0.3883301350147351,0.41019292714687133,0.2993304948255774
EOS-3-27178,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc(F)n2)cn1,QMEMRNVWURPKNU-UHFFFAOYSA-N,3,1,0.566,16,772,419.395,3.444,5,0.406,0.71,1.0,0.5775820711397437,0.4996401891577,0.7730707285312864,0.7406277842505654,0.6477301932698238
EOS-3-27179,COc1ncc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)n5)cn4)n23)cn1,LGZBSALGXISQOR-UHFFFAOYSA-N,3,1,0.407,51,969,447.846,2.674,5,0.358,0.65,1.0,0.5636522513878418,0.48551333013501474,0.1593790692892879,0.13349838941813447,0.33551076005756975
EOS-3-27180,Cc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cccnn1,AGEUAWGTACPLED-UHFFFAOYSA-N,3,1,0.411,13,251,433.834,4.537,5,0.411,0.7,1.0,0.6120125419779316,0.6893975738468919,0.6909396203138921,0.7218833527516962,0.678558272222603
EOS-3-27181,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ncnn5C)cnc4F)n23)ccc1Cl,UYTCCOHPLRORAO-UHFFFAOYSA-N,3,1,0.5,16,610,450.865,3.662,5,0.377,0.67,1.0,0.6147282571448153,0.7273233500102803,0.5954612432321293,0.5922486464258789,0.632440374203276
EOS-3-27182,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)ncc4Cl)n23)cc1Cl,CUIWPMMEVNZRMD-UHFFFAOYSA-N,3,1,0.483,16,134,467.32,4.176,5,0.383,0.73,1.0,0.43645055170995817,0.5932852443286958,0.6439243369200192,0.6861507093413748,0.589952710575012
EOS-3-27183,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C#N)n5)n34)cc2)cn1,HSMOJIYAJYKBPI-UHFFFAOYSA-N,3,1,0.506,4,702,438.426,3.542,5,0.409,0.64,1.0,0.8371598930847783,0.8205828935645261,0.6286752107463505,0.5346275101089712,0.7052613768761566
EOS-3-27184,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cn2)s1,QCLGAXRWNIHKRI-UHFFFAOYSA-N,3,1,0.325,86,812,459.882,4.075,6,0.383,0.72,1.0,0.2716657528613529,0.3579518196148311,0.20908436707559455,0.2751524912617367,0.2784636077033788
EOS-3-27185,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4C)n23)n(C)n1,DYLRQACFDSBOPX-UHFFFAOYSA-N,3,1,0.429,7,662,431.435,2.712,5,0.418,0.64,0.999,0.41571859365362207,0.4007864436981701,0.10136385443081351,0.06838976081145912,0.2465646631485162
EOS-3-27186,Clc1cnnc(CCOc2cncc3nnc(-c4ccnc(-c5ccsn5)c4)n23)c1,BHHSXSKAIYQMBR-UHFFFAOYSA-N,3,1,0.494,75,583,436.888,3.375,5,0.399,0.63,1.0,0.5607309300253581,0.6357429237201014,0.18831814131999178,0.2665170310465355,0.4128272565279967
EOS-3-27187,Cc1ncc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c2)o1,NTJHTNDGFVTVOE-UHFFFAOYSA-N,3,1,0.529,4,71,436.834,4.521,5,0.4,0.74,1.0,0.772719484613803,0.8282845589747104,0.7684874237543692,0.7587125625385511,0.7820510074703584
EOS-3-27188,Cc1nc(-c2cccnc2)cc(-c2nnc3cncc(OCCc4ccnc5ccccc45)n23)n1,XEUDDNKLJIZSBJ-UHFFFAOYSA-N,3,1,0.412,28,891,460.501,4.121,6,0.366,0.71,1.0,0.652131450894387,0.4053697484750874,0.3099513398670413,0.315040093208142,0.4206231581111644
EOS-3-27189,Fc1c(Cc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)ncnc1-c1cnccn1,LIIKLXRIMWSYSC-UHFFFAOYSA-N,3,1,0.33,85,674,435.373,3.101,5,0.415,0.56,0.983,0.3366715783702282,0.4007950106229868,0.5632753066959084,0.5765883078610102,0.46933255088753345
EOS-3-27190,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)s1,ASIXWQNVELYJOK-UHFFFAOYSA-N,3,1,0.6,15,300,434.912,4.585,5,0.389,0.74,1.0,0.9589301624288945,0.9318929477074909,0.49179288602563226,0.5209975327256527,0.7259033822219176
EOS-3-27191,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)cc2)cs1,OMKXBWMVAFPPTB-UHFFFAOYSA-N,3,1,0.529,15,684,449.927,4.288,5,0.382,0.72,1.0,0.8091546158590912,0.8642742101295319,0.3136693852374752,0.31792714687135903,0.5762563395243644
EOS-3-27192,Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ncn(C)n5)c(F)n4)n23)n1,ASUPEBXZVAZBFE-UHFFFAOYSA-N,3,1,0.426,31,223,435.398,2.542,5,0.388,0.65,0.92,0.3940699746419025,0.40080357754780344,0.25179905421150023,0.22473613871564663,0.3178521862792132
EOS-3-27193,COc1nnc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1-c1ccc(C)cc1,PJEWAYLSCJOUBJ-UHFFFAOYSA-N,3,1,0.581,19,309,456.481,4.326,5,0.36,0.77,1.0,0.7579244054554177,0.7087845247070111,0.592351449523679,0.5311750394078542,0.6475588547734905
EOS-3-27194,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5C)n34)nc2)c(C)n1,XKIQUGXIUPOBFA-UHFFFAOYSA-N,3,1,0.292,52,582,476.544,4.128,6,0.406,0.74,0.99,0.06904084709752588,0.03471317935713796,0.10646974162154753,0.09823692687272977,0.07711517373723528
EOS-3-27195,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,YAEAYHCTVZJVPD-UHFFFAOYSA-N,3,1,0.634,59,11,462.872,4.112,5,0.405,0.71,1.0,0.8885700089096018,0.8520749091905969,0.8705280652456994,0.8581488588856144,0.8673304605578781
EOS-3-27197,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)nc4F)n23)nn1,RTHIAPRPLNOCAU-UHFFFAOYSA-N,3,1,0.4,53,587,433.382,2.599,5,0.386,0.64,0.928,0.5192413131382358,0.4811870331025975,0.27329346857651976,0.27516105818655334,0.3872207182509766
EOS-3-27198,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)c1,RSSMAKBZZNCHMW-UHFFFAOYSA-N,3,1,0.478,18,503,413.416,3.404,5,0.421,0.81,1.0,0.5665478719758755,0.5637293537111918,0.4885802892193818,0.5311836063326708,0.53751028030978
EOS-3-27199,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)n5)no4)n23)cc1,QONFQAZMORWOON-UHFFFAOYSA-N,3,1,0.338,98,882,456.857,3.352,6,0.367,0.68,1.0,0.22885682955246384,0.2734476732232198,0.1260365979028168,0.1932355561647591,0.20539416421081488
EOS-3-27200,COc1cc(-c2cnn(C)c2)cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)c1,ACYOOLVIWMUSTN-UHFFFAOYSA-N,3,1,0.472,16,591,449.421,3.453,5,0.367,0.68,1.0,0.5802720855321774,0.44140223425399217,0.8302206839832773,0.6888492906586252,0.6351860736070181
EOS-3-27201,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4)n23)ccc1-c1nccn1C,GDPSPZIPWULHFM-UHFFFAOYSA-N,3,1,0.415,31,690,426.484,3.432,5,0.41,0.69,0.942,0.3413576862449455,0.13004591871701734,0.12895791926530054,0.0778133781097937,0.16954372558426428
EOS-3-27202,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cn2)n1C,ZKEVLQLYFIVSLC-UHFFFAOYSA-N,3,1,0.291,30,945,446.478,3.414,6,0.405,0.61,0.874,0.1702676307312727,0.04842882598862312,0.1379874580220684,0.15514700842985402,0.12795773079295458
EOS-3-27203,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccccc4OCc4ccc(Cl)cc4)n23)cc1,LEJQKKKZJOKOEB-UHFFFAOYSA-N,3,1,0.436,79,504,469.932,5.05,5,0.376,0.87,1.0,0.5747121513261599,0.5499623055308067,0.8282160235761771,0.7736875471180865,0.6816445068878075
EOS-3-27204,Cc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cnc(C)o5)c4)n23)c(F)n1,ATGGFPVKMMREOC-UHFFFAOYSA-N,3,1,0.542,15,655,430.443,4.219,5,0.373,0.75,1.0,0.7841306284696046,0.65032382975807,0.5433829072716058,0.4261017065314235,0.600984768007676
EOS-3-27205,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c1,QNYQKZFSMKWUBD-UHFFFAOYSA-N,3,1,0.398,18,211,448.437,3.364,5,0.377,0.64,0.997,0.4866441642108149,0.25280995133986706,0.5433914741964224,0.4883147145500651,0.4427900760742924
EOS-3-27206,Fc1cnc(-c2cncnc2)nc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,TVTUHJBRCVMTGG-UHFFFAOYSA-N,3,1,0.423,56,425,467.428,2.542,6,0.388,0.63,1.0,0.7038756767870605,0.5886505380028785,0.22654375985196354,0.20743095058597766,0.43162523130697006
EOS-3-27207,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)nc1F,MCKTYDVZYXFVFZ-UHFFFAOYSA-N,3,1,0.299,86,977,455.392,2.769,6,0.398,0.61,1.0,0.33169419505174425,0.35796038653964773,0.32479782057432666,0.3369542868891783,0.33785167226372426
EOS-3-27208,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)s5)n34)cc2)cn1C,UEANWRCQJRFNON-UHFFFAOYSA-N,3,1,0.303,98,746,454.523,3.419,6,0.402,0.62,1.0,0.10759200877253101,0.1522256870673703,0.06898944554862586,0.06654787197587554,0.09883875334110068
EOS-3-27209,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nn1,WRXOYSVHUXGRRX-UHFFFAOYSA-N,3,1,0.484,87,838,444.886,3.622,5,0.391,0.63,1.0,0.5977743129326297,0.7041412514563772,0.3694829004180659,0.37555685011308343,0.5117388287300391
EOS-3-27210,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4ncccn4)cnn3)n12,IREBUEYFUGDYIM-UHFFFAOYSA-N,3,1,0.421,65,65,449.837,2.847,5,0.385,0.6,1.0,0.7552343910629841,0.7087930916318278,0.36210677815091497,0.432484065519841,0.5646545815913919
EOS-3-27211,Cc1oncc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)cc5)nn4)n23)cc1,QTWZHLCIHSATHJ-UHFFFAOYSA-N,3,1,0.411,3,186,450.437,4.413,6,0.389,0.7,1.0,0.30890617503940787,0.4414108011788089,0.5632838736207251,0.5890360496196285,0.47565922486464257
EOS-3-27212,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)cc1F,KNDNGMXUAGVTDR-UHFFFAOYSA-N,3,1,0.552,4,43,463.86,3.507,5,0.407,0.69,1.0,0.655095606880954,0.6940836817216092,0.7041669522308273,0.70014906449181,0.6883738263313002
EOS-3-27213,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc(-c2ncc(F)cn2)n1,LWROYFAVFFDOHX-UHFFFAOYSA-N,3,1,0.402,46,775,449.837,3.113,5,0.398,0.57,0.992,0.5977828798574464,0.7134192310328284,0.2090929340004112,0.2635271742855185,0.4459555547940512
EOS-3-27215,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)cc1=O,RHAVWOCIIVWDRX-UHFFFAOYSA-N,3,1,0.457,24,486,447.846,1.969,5,0.397,0.63,1.0,0.37117915153176617,0.34348228359947913,0.18169590843670755,0.19040847097525873,0.2716914536358029
EOS-3-27216,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)cnc2F)nc1,AAPHXMLYBLJKQF-UHFFFAOYSA-N,3,1,0.402,46,62,432.394,3.204,5,0.39,0.63,1.0,0.819400657939826,0.6215046946747995,0.4779401685970804,0.4418819820437256,0.5901818758138578
EOS-3-27217,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)nc5)n34)cn2)n(C)n1,RVHPITJNWGUJNT-UHFFFAOYSA-N,3,1,0.294,70,968,449.482,2.753,6,0.403,0.6,1.0,0.058092317181824414,0.044899252964155985,0.11484819409224864,0.09027825371804538,0.0770295044890686
EOS-3-27218,Cn1cc(-c2cn(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)nn2)cn1,WMIWXSULNYJHDU-UHFFFAOYSA-N,3,1,0.435,86,312,426.469,2.896,6,0.427,0.65,1.0,9.423617298334589e-05,0.00735042149270098,0.1468456582825029,0.1738828730039065,0.08204329723802344
EOS-3-27219,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3nccnc3-c3cccc(Cl)c3)n12,WRVWVETXHMANQJ-UHFFFAOYSA-N,3,1,0.333,39,854,466.896,3.759,6,0.386,0.68,1.0,0.0813001165101775,0.17185251182235625,0.11780378315399904,0.2693526831608526,0.16007727366184635
EOS-3-27220,Cn1nc(-c2cnccn2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4Cl)cn3)n12,ZWMXWGJNAKXPPC-UHFFFAOYSA-N,3,1,0.342,39,979,466.896,3.759,6,0.386,0.68,0.665,0.06694195051744226,0.19343259543554245,0.1721266534164896,0.31793571379617575,0.18760922829141252
EOS-3-27221,COc1ncccc1-c1ncc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)nn1,BTHLSDPYVYQQMB-UHFFFAOYSA-N,3,1,0.457,92,205,456.426,1.12,5,0.372,0.65,1.0,0.3240267973408265,0.1268418888355836,0.02623192378863683,0.007847303132067713,0.12123697827427865
EOS-3-27222,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCc4ccns4)n23)n1,XLXCFEQLEAVVMT-UHFFFAOYSA-N,3,1,0.449,44,531,437.435,3.87,5,0.412,0.67,1.0,0.5607394969501748,0.5311322047837708,0.529941402234254,0.5410098690973888,0.5407057432663971
EOS-3-27223,Cc1nccc(CCOc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)c1F,XWWAVKQYIXRTNS-UHFFFAOYSA-N,3,1,0.533,35,215,427.443,3.712,5,0.408,0.66,1.0,0.7523816050990336,0.727331916935097,0.6345778219450346,0.570377287368926,0.6711671578370229
EOS-3-27225,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(C)n4)n23)cc1F,VTKZJPFCPAIDJT-UHFFFAOYSA-N,3,1,0.474,37,908,445.462,2.929,5,0.376,0.64,1.0,0.6615036666438215,0.5932938112535124,0.1317593036803509,0.11814646014666576,0.37617581043108766
EOS-3-27226,Fc1cncc(Cl)c1COc1cncc2nnc(-c3cncc(-c4ccncn4)c3)n12,ZJUQCYOIEMGASF-UHFFFAOYSA-N,3,1,0.443,2,980,434.822,3.41,5,0.414,0.61,1.0,0.7954132684531561,0.7413045713110822,0.7014683709135768,0.7140617503940785,0.7380619902679734
EOS-3-27227,COc1ccncc1CCOc1cncc2nnc(-c3cccc(-c4ccnn4C)c3)n12,RPLWNLUWVWURKY-UHFFFAOYSA-N,3,1,0.529,15,438,427.468,3.217,5,0.394,0.67,1.0,0.34136625316976216,0.11964567198958262,0.409893084778288,0.26353574121033513,0.283610187786992
EOS-3-27228,Fc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4nnc(Cl)s4)c3)n12,GZJLMUQKCCMJMB-UHFFFAOYSA-N,3,1,0.506,2,904,454.878,3.514,5,0.384,0.69,1.0,0.6551041738057707,0.6992238366116099,0.3656791857994654,0.4165410184360222,0.5341370536632171
EOS-3-27229,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6ncccc6F)c5)n34)nn2)nc1,WGTRRBGFRVGNMO-UHFFFAOYSA-N,3,1,0.264,86,151,455.392,2.564,6,0.394,0.58,1.0,0.005996847371667466,0.11040196011239806,0.2091015009252279,0.30874340346789114,0.15856092796929613
EOS-3-27230,Cc1ccc(-c2nnc3cncc(-c4cncc(OCc5ccc(CC(F)F)nc5)c4)n23)cn1,FHQOLIDHDGFPGR-UHFFFAOYSA-N,3,1,0.367,82,478,459.46,4.338,5,0.358,0.76,0.721,0.5220683983277363,0.5499708724556234,0.8207884997601261,0.7114402714001782,0.651067010485916
EOS-3-27231,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ccn1,QEXMLLGHLOUJGY-UHFFFAOYSA-N,3,1,0.534,75,265,449.396,3.682,5,0.391,0.64,0.999,0.913062846960455,0.835283736549928,0.7866664382153382,0.7853385648687548,0.830087896648619
EOS-3-27232,Fc1cc(-c2cccnc2)cnc1-c1nnc2cncc(OCCc3c(F)cncc3F)n12,UCJHNYRWOMLOJV-UHFFFAOYSA-N,3,1,0.477,2,559,449.396,3.682,5,0.391,0.64,1.0,0.8511496813103968,0.8352923034747447,0.7566736344321843,0.7785878281132205,0.8054258618326366
EOS-3-27233,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)cn1,TUXNKQRRYDVHKW-UHFFFAOYSA-N,3,1,0.277,70,813,433.439,2.501,6,0.412,0.58,1.0,0.049679597011856626,0.016294291001302173,0.1593876362141046,0.1658213967514221,0.09779573024467138
EOS-3-27234,CCc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)ncn1,ZIOUOGDCAISCPE-UHFFFAOYSA-N,3,1,0.539,4,92,427.443,3.924,5,0.406,0.68,1.0,0.6674919470906723,0.7546090055513672,0.5128246864505517,0.46714584332807896,0.6005178706051675
EOS-3-27235,Cc1ccc(-c2nnc3cncc(OCc4cc(-n5cc(F)cn5)cc(F)c4F)n23)cn1,QDLOZBMKBCVMFS-UHFFFAOYSA-N,3,1,0.472,59,772,437.385,3.677,5,0.417,0.64,1.0,0.4916815160030156,0.54997943938044,0.8759509286546501,0.8363203344527449,0.6884830546227126
EOS-3-27236,FC(F)c1cnc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cnco5)n4)n23)cn1,OATIKOAJQHJSCT-UHFFFAOYSA-N,3,1,0.402,7,535,457.788,3.196,5,0.35,0.68,0.997,0.5042491947090673,0.5730758686861764,0.3957490919059694,0.3723870879309163,0.4613653108080324
EOS-3-27237,c1cnnc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6ccncn6)n5)n34)ccn2)c1,MXHYWMIUAUITJB-UHFFFAOYSA-N,3,1,0.474,28,597,460.461,3.074,6,0.365,0.65,0.997,0.3576519772462477,0.2479782057432664,0.2518076211363169,0.21364197107806182,0.2677699438009732
EOS-3-27238,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)nc1,SHYONWRVECJQOJ-UHFFFAOYSA-N,3,1,0.442,80,34,462.477,3.018,6,0.367,0.64,1.0,0.3896323075868686,0.21219416078404496,0.1721352203413063,0.12509423617298335,0.22476398122130078
EOS-3-27239,Cc1c(-c2ccc(-c3nnc4cncc(OCc5nnccc5O)n34)c(F)c2)cnn1C,QZNNOVOQHDSWOA-UHFFFAOYSA-N,3,1,0.426,36,534,432.419,2.714,5,0.451,0.63,1.0,0.4528904804331437,0.517485093550819,0.35084983894181343,0.2721712014255363,0.3983491535878281
EOS-3-27241,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccnc(F)c6)nc5)n34)cn2)n1,CRUNSRJLSDQJPU-UHFFFAOYSA-N,3,1,0.321,86,780,451.429,2.64,6,0.372,0.62,0.98,0.19838427797957645,0.2528185182646837,0.2518161880611336,0.24527962442601603,0.23707465218285245
EOS-3-27242,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)nc(C)n1,KLLNFTOQMOJVNS-UHFFFAOYSA-N,3,1,0.488,7,758,415.482,3.901,5,0.43,0.8,1.0,0.36208107737646494,0.3142605030498252,0.21957028305119594,0.16078404495922144,0.2641739771091769
EOS-3-27243,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)n2)nn1,PVQFURHHXHJCAW-UHFFFAOYSA-N,3,1,0.255,99,952,455.833,1.729,6,0.382,0.6,0.402,0.011453978479884861,0.14832773627578644,0.017699266671235694,0.04643273250633952,0.05597842848331163
EOS-3-27244,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cn4)n23)nnc1Cl,DOCYZZASZLHWAJ-UHFFFAOYSA-N,3,1,0.435,58,602,454.878,3.514,5,0.384,0.66,1.0,0.6259337948050168,0.6554211500239874,0.2339541498183812,0.30875197039270785,0.4560152662600233
EOS-3-27245,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)c(F)c1,BMKIQMQMLCFNCV-UHFFFAOYSA-N,3,1,0.598,37,393,416.42,2.742,5,0.42,0.73,1.0,0.5892502227400452,0.5542800356384072,0.45385854293742717,0.42611027345624014,0.5058747686930299
EOS-3-27246,Fc1cc(CCOc2cncc3nnc(-c4cnc(Cl)c(-c5cccnn5)c4)n23)ccn1,PPUYYSYPYPMNHY-UHFFFAOYSA-N,3,1,0.49,58,578,448.849,3.452,5,0.364,0.67,1.0,0.8810910835446508,0.92523644712494,0.5891302857926118,0.6163645397847989,0.7529555890617504
EOS-3-27247,Fc1cc(Cl)cc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nn5)cn4)n23)c1,RZLSNLPJJWUPNQ-UHFFFAOYSA-N,3,1,0.549,73,946,452.812,3.549,5,0.399,0.59,1.0,0.6460489342745528,0.8167791789459256,0.6636882324720719,0.7193903776300459,0.711476680830649
EOS-3-27248,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cc(F)c(Cl)nn3)n12,TWEWBUDBDITIEK-UHFFFAOYSA-N,3,1,0.495,11,0,465.851,4.196,5,0.371,0.73,1.0,0.8956976903570695,0.9270098005619902,0.7014769378383935,0.7664142279487355,0.8226496641765472
EOS-3-27249,CCn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)nn5)n34)cn2)cn1,TWEJEQFCPPOIEQ-UHFFFAOYSA-N,3,1,0.293,10,151,468.912,3.971,6,0.377,0.7,0.999,0.006947776026317593,0.08830786101021178,0.30627612912069085,0.39457542320608596,0.19902679734082654
EOS-3-27250,FC(F)c1ncc(-c2nnc3cncc(Oc4ccc(-c5ncccn5)cn4)n23)cn1,VRVZGLPOHUBUJI-UHFFFAOYSA-N,3,1,0.387,51,489,419.355,3.163,5,0.423,0.69,1.0,0.6580511959427044,0.5594458913028579,0.3735264889315331,0.2782537180453704,0.46731932355561645
EOS-3-27251,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(C)nn5)n4)n23)cc1F,BEAYLKOUZOSAGF-UHFFFAOYSA-N,3,1,0.49,89,788,471.456,2.424,5,0.396,0.62,1.0,0.4619371530395449,0.3720358440134329,0.17214378726612295,0.11107018024809814,0.27929674114179975
EOS-3-27252,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccn[nH]6)n5)n34)cc2)c1,STPWNRDAMHVMQU-UHFFFAOYSA-N,3,1,0.375,93,74,433.45,5.05,6,0.421,0.78,1.0,0.282340141182921,0.3720444109382496,0.8155369748475088,0.8496076348433966,0.579882290453019
EOS-3-27253,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)c(Cl)c5)n34)nc2)no1,NAKSMAGKZPJFLH-UHFFFAOYSA-N,3,1,0.321,98,968,470.884,3.661,6,0.379,0.71,1.0,0.18715303954492496,0.3434908505242958,0.1850712768144747,0.2280172709204304,0.23593310945103146
EOS-3-27254,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cc1F,GKFBZKXUGZUPDJ-UHFFFAOYSA-N,3,1,0.476,73,756,451.824,4.154,5,0.396,0.69,1.0,0.7896562949763553,0.8422572133506956,0.8384791995065451,0.8678466177780824,0.8345598314029197
EOS-3-27255,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)c(F)c1,PTFYKGZLSRDGDH-UHFFFAOYSA-N,3,1,0.317,98,314,456.47,3.306,6,0.397,0.63,1.0,0.09296826811047906,0.25282708518950037,0.29189226235350557,0.33363888698512784,0.24283162565965322
EOS-3-27256,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cnc1F,HJHMGPDZZRLFGV-UHFFFAOYSA-N,3,1,0.471,55,879,417.379,3.501,5,0.404,0.77,1.0,0.862338085120965,0.7716828867109862,0.7822716057843876,0.7380834075800151,0.7885939962990884
EOS-3-27257,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cn1,FEAMEXXBIHDHER-UHFFFAOYSA-N,3,1,0.57,4,439,447.861,4.323,5,0.37,0.71,1.0,0.5693663902405592,0.6401977246247686,0.7041755191556439,0.7001576314166267,0.6534743163593997
EOS-3-27258,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nccs5)nn4)n23)cc1,QTGXNNNTQPJURX-UHFFFAOYSA-N,3,1,0.346,32,541,453.466,3.968,6,0.395,0.66,0.728,0.21214275923514495,0.40537831539990404,0.3027722568706737,0.39760811459118633,0.32947536152422724
EOS-3-27259,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nn2)ccn1,PUEMXFQZUOCYSF-UHFFFAOYSA-N,3,1,0.342,42,608,438.386,2.894,6,0.378,0.63,1.0,0.2960729216640395,0.3041515317661572,0.27737132478925364,0.3179442807209924,0.2988850147351107
EOS-3-27260,Fc1cc(-c2ncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)ccn1,WYVUEUDEFCHGJJ-UHFFFAOYSA-N,3,1,0.55,65,76,448.849,3.452,5,0.364,0.65,1.0,0.8990216571859365,0.8669899252964156,0.5399561373449386,0.5575526009183743,0.7158800801864164
EOS-3-27261,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)nc1Cl,DMZOXQHCTIGXDE-UHFFFAOYSA-N,3,1,0.354,46,395,435.81,2.805,5,0.384,0.65,0.997,0.5452247961071893,0.545027756836406,0.32840449592214377,0.37895791926530054,0.4494037420327599
EOS-3-27262,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)nc5)cn4)n23)cn1,AAAMIIWRGXHNFS-UHFFFAOYSA-N,3,1,0.436,7,535,460.845,1.765,5,0.369,0.64,1.0,0.555419436639024,0.49006236721266533,0.12058803371941608,0.09028682064286205,0.31408916455349184
EOS-3-27263,COc1cc(-c2nnc3cncc(OCCc4ccncn4)n23)ccc1-c1ccnc(F)c1,BOVYFVRQUAIHIN-UHFFFAOYSA-N,3,1,0.511,15,103,443.442,3.413,5,0.353,0.68,1.0,0.8752484408196833,0.75012850387225,0.605244671372764,0.4853933931875814,0.6790037523130696
EOS-3-27264,Cc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n1,FPFVCISKJWJUDH-UHFFFAOYSA-N,3,1,0.5,87,76,443.898,4.227,5,0.388,0.68,1.0,0.7727280515386197,0.7587468302378179,0.5567987115345076,0.5541515317661572,0.6606062812692755
EOS-3-27265,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)ccc1Cl,ZPWXJUPQMCHCJC-UHFFFAOYSA-N,3,1,0.53,36,404,454.281,3.263,5,0.373,0.66,1.0,0.6947519018573093,0.7674422589267357,0.4131913508327051,0.482232197930231,0.5894044273867453
EOS-3-27266,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nc1C(F)F,QAXUVXYGZSPFGU-UHFFFAOYSA-N,3,1,0.531,65,349,449.425,2.936,5,0.373,0.67,1.0,0.48665273113563157,0.4053868823247207,0.2847046124323213,0.2247447056404633,0.35037223288328423
EOS-3-27267,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)nc1,TXQKQDZXYBWJQT-UHFFFAOYSA-N,3,1,0.38,93,74,447.477,5.06,6,0.378,0.82,1.0,0.27167431978616957,0.3863083407580015,0.7637499143307518,0.7831025974916044,0.5512087930916318
EOS-3-27268,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccno6)nc5)n34)n2)cc1,ZLCPPRPTOLAPBN-UHFFFAOYSA-N,3,1,0.343,10,871,425.387,3.228,6,0.423,0.63,0.695,0.061596189431841544,0.18903776300459188,0.34307107120827907,0.40689466109245426,0.2501499211842917
EOS-3-27269,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)nn4C)n23)cc1,HKRSHSUOBDTZPX-UHFFFAOYSA-N,3,1,0.318,8,42,468.912,3.703,6,0.363,0.72,1.0,0.164921869645672,0.27851072578987046,0.18507984373929134,0.24836371736001644,0.21921903913371255
EOS-3-27270,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cnn2)nn1,KWBBIHZIKBVAID-UHFFFAOYSA-N,3,1,0.472,53,226,431.847,2.974,5,0.387,0.63,1.0,0.4318244123089576,0.5174936604756357,0.23396271674319785,0.2635443081351518,0.3617062744157358
EOS-3-27271,Fc1cc(COc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)ncc1Cl,RMAGXMJYRSODSK-UHFFFAOYSA-N,3,1,0.554,4,202,433.834,4.015,5,0.413,0.63,1.0,0.6120211089027483,0.7134277979576451,0.8282245905009937,0.8384277979576451,0.7480253238297581
EOS-3-27272,Clc1cc(-c2cnnc(-c3nnc4cncc(OCCc5cccs5)n34)c2)ncn1,OARAOAOTWRLPRN-UHFFFAOYSA-N,3,1,0.495,31,873,436.888,3.375,5,0.373,0.66,0.21,0.612029675827565,0.5978856829552464,0.23397128366801453,0.29604722088958946,0.43498346583510383
EOS-3-27273,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nc5)on4)n23)nc1,BMAOWKBBVYYAGO-UHFFFAOYSA-N,3,1,0.433,46,959,440.25,4.122,5,0.376,0.75,1.0,0.46921903913371255,0.5594544582276746,0.5828678637516277,0.665564389006922,0.5692764375299842
EOS-3-27274,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cncnc6)n5C)n34)cn2)ccn1,KLOVKECNMGNBDP-UHFFFAOYSA-N,3,1,0.307,94,754,447.466,2.809,6,0.401,0.61,0.971,0.06504866013295868,0.05583064903022411,0.08948152971009526,0.10236618463436364,0.07818175587691042
EOS-3-27275,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c1,NTCYAVLVMFQTLD-UHFFFAOYSA-N,3,1,0.485,26,589,447.449,3.969,5,0.376,0.67,0.996,0.5504506202453567,0.44141936810362553,0.652491261736687,0.6222585840586663,0.5666549585360839
EOS-3-27276,c1ncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5csnn5)nc4)n23)cn1,MOFPADUUHNFLHL-UHFFFAOYSA-N,3,1,0.241,86,953,437.452,2.619,6,0.405,0.63,0.996,0.03243437735590433,0.06737886368309232,0.08195120279624427,0.11590192584469879,0.07441659241998493
EOS-3-27277,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4F)n23)c1,OJHJSWBIVYMFMZ-UHFFFAOYSA-N,3,1,0.505,37,490,431.406,3.543,5,0.406,0.63,0.999,0.8511582482352135,0.8862483722842849,0.747626961825783,0.7484836543074498,0.8083793091631828
EOS-3-27278,Fc1cncc(CCOc2cncc3nnc(-c4cc(F)cc(-c5cncc(F)c5)c4)n23)c1,UUHMIQFBUPIUHA-UHFFFAOYSA-N,3,1,0.585,35,429,448.408,4.287,5,0.386,0.69,1.0,0.9037848673840039,0.9079655266945378,0.9140737440888219,0.918168734151189,0.9109982180796381
EOS-3-27279,Fc1ccc(Cc2cncc3nnc(-c4cncnc4-c4cccnc4)n23)c(F)c1F,XMOBKRXCLPQWRN-UHFFFAOYSA-N,3,1,0.361,14,575,419.37,3.651,5,0.414,0.71,0.952,0.4134569255020218,0.454946542389144,0.870536632170516,0.8810225481461175,0.6549906620519499
EOS-3-27280,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnn(-c5ccncc5)c4)n23)cc1,CNIGNDKPEWOWBT-UHFFFAOYSA-N,3,1,0.482,56,415,450.466,2.747,6,0.381,0.63,1.0,0.3317027619765609,0.16767185251182234,0.25514872181481735,0.2074395175107943,0.24049071345349876
EOS-3-27281,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(F)c(-c6ccccc6)c5)n34)ncn2)n1,YKYCZCHYTQHABC-UHFFFAOYSA-N,3,1,0.313,3,298,450.441,3.245,6,0.402,0.6,1.0,0.17859468165307382,0.2888938386676719,0.2990970461243232,0.4036563635117538,0.2925604824892057
EOS-3-27282,CC(C)(C)c1nc(-c2cncc3nnc(-c4ccc(-c5cnc(F)cn5)cc4F)n23)n[nH]1,KPQTUMBLCRXFCU-UHFFFAOYSA-N,3,1,0.346,50,844,433.426,3.609,5,0.463,0.69,0.769,0.2340569529161812,0.3382564594613118,0.35085840586663014,0.26031457747926806,0.2958715989308478
EOS-3-27283,COc1ncc(-c2nnn(C)n2)cc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,IRKTWADKAZNVOA-UHFFFAOYSA-N,3,1,0.305,98,866,451.454,2.442,6,0.419,0.61,1.0,0.2147128366801453,0.15982454937975465,0.11485676101706531,0.09218867795216229,0.14539570625728188
EOS-3-27284,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6F)c5)n34)nc2)c1,ICIRYXZGVWNKKF-UHFFFAOYSA-N,3,1,0.307,30,668,451.44,4.984,6,0.378,0.78,1.0,0.00508018641628401,0.19344116236035913,0.8634432184223151,0.90016962511137,0.49053354807758204
EOS-3-27285,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)nc4)n23)cn1)N1CCOCC1,QNASZWHJESXHSY-UHFFFAOYSA-N,3,1,0.394,82,229,482.479,2.922,6,0.36,0.83,0.996,0.07911555068192722,0.04125830991707217,0.020303611815502706,0.07207353848262628,0.053187752724282084
EOS-3-27286,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)cn1,XYASFKIWULUWEA-UHFFFAOYSA-N,3,1,0.478,46,157,424.399,3.233,5,0.395,0.66,1.0,0.6858680008224248,0.6170498937701323,0.737543691316565,0.680290932766774,0.680188129668974
EOS-3-27287,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cc1F,MKEQAIYHRRWKAH-UHFFFAOYSA-N,3,1,0.511,20,353,450.865,3.396,5,0.391,0.62,1.0,0.837168460009595,0.8456411486532794,0.4429614145706257,0.46389897882256187,0.6474175005140156
EOS-3-27288,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)c(F)c1,JXBSOASLHNVMKN-UHFFFAOYSA-N,3,1,0.494,20,279,450.865,3.396,5,0.391,0.62,1.0,0.7285055856349805,0.7365756288122816,0.5265403330820368,0.5346360770337879,0.6315644061407717
EOS-3-27289,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5c[nH]nn5)cn4)n23)cc1,MRSLZPXRSJIQJL-UHFFFAOYSA-N,3,1,0.489,27,343,421.371,2.883,5,0.444,0.65,1.0,0.5862689329038449,0.49964875608251663,0.6439329038448358,0.583039202247961,0.5782224487697896
EOS-3-27290,Cc1ccc(-c2ncc(F)cn2)cc1-c1nnc2cncc(-c3cccc(-c4cnn(C)n4)n3)n12,DMVGUNSQBYVRKN-UHFFFAOYSA-N,3,1,0.321,76,865,464.468,3.553,6,0.389,0.65,0.999,0.17027619765608937,0.20731958056336097,0.2733020355013364,0.2635528750599685,0.22861267219518883
EOS-3-27291,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ncn(C)n5)cn4)n23)c(-c2ccc(F)cc2)n1,IOWNWEUJSAQYNJ-UHFFFAOYSA-N,3,1,0.301,70,693,464.468,3.553,6,0.389,0.65,0.992,0.16493043657048867,0.26315879651840174,0.2733106024261531,0.29015317661572204,0.24788825303269138
EOS-3-27292,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n2)n1C,NFQGKYYXMHFJJE-UHFFFAOYSA-N,3,1,0.307,39,176,464.468,3.553,6,0.389,0.65,0.634,0.09768007675964636,0.1805650743609074,0.09396203138921252,0.1607926118840381,0.13324994859845107
EOS-3-27293,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)c2)n1,MWJSNGVOFGDTJB-UHFFFAOYSA-N,3,1,0.523,43,258,452.4,3.638,5,0.388,0.68,1.0,0.7038842437118772,0.7365841957370982,0.8073983962716743,0.7639383866767185,0.7529513055993421
EOS-3-27294,COc1nc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)ccc1-c1cc(C)nn1C,UYZROCALVYXGHC-UHFFFAOYSA-N,3,1,0.379,31,662,443.471,2.581,5,0.39,0.64,1.0,0.20659139195394421,0.07801898430539374,0.07101123980535946,0.02060345418408608,0.09405626756219587
EOS-3-27295,Oc1cc(Cl)ccc1-c1nnc2cncc(-c3cc(-c4cnc(F)cn4)cnn3)n12,NQJVJQJAHZLLCW-UHFFFAOYSA-N,3,1,0.354,50,844,420.795,3.203,5,0.473,0.62,0.282,0.40034953053252004,0.5637379206360085,0.6230895757658831,0.7001661983414433,0.5718358063189637
EOS-3-27296,COCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nc1,XCAHJDNPWXCUNW-UHFFFAOYSA-N,3,1,0.321,98,882,466.469,1.906,6,0.357,0.67,1.0,0.19285004454800905,0.11965423891439929,0.0344904393119046,0.036426564320471526,0.09585532177369611
EOS-3-27297,CCn1c(-c2cc[nH]n2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,QQJDDIULVSWAIR-UHFFFAOYSA-N,3,1,0.288,8,474,434.467,3.522,6,0.441,0.59,0.815,0.05982283599479131,0.08504386265506134,0.04950825851552327,0.10649544239599754,0.07521759989034335
EOS-3-27298,Cc1ccncc1-c1nnc2cncc(-c3nncc(-c4c(Cl)cccc4Cl)n3)n12,GVNAGHJVCHTVTA-UHFFFAOYSA-N,3,1,0.321,22,844,435.278,4.321,5,0.417,0.64,0.917,0.19839284490439313,0.2942995682269892,0.5299499691590707,0.7193989445548626,0.4355103317113289
EOS-3-27299,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)nc1,DPEHFHFXVOLGBY-UHFFFAOYSA-N,3,1,0.274,86,664,454.885,3.488,6,0.375,0.67,0.795,0.010023302035501336,0.11621890206291549,0.2809951339867041,0.32730792954561033,0.18363631690768284
EOS-3-27300,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(C)ns5)n34)cc2F)cn1,SYENKMSFZWABED-UHFFFAOYSA-N,3,1,0.494,7,85,434.46,3.435,5,0.414,0.66,1.0,0.5017219518881503,0.5594630251524912,0.16251456377218834,0.1579997943938044,0.34542483380165856
EOS-3-27302,CCn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nn1,ASUAIZDTEVOHFT-UHFFFAOYSA-N,3,1,0.365,74,333,412.417,1.626,5,0.459,0.75,0.998,0.11286923445959839,0.037548831471455005,0.047683503529573026,0.031235007881570832,0.05733414433554931
EOS-3-27303,Clc1cccc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)n1,YHITYNBLONQZLH-UHFFFAOYSA-N,3,1,0.466,46,949,416.832,3.271,5,0.402,0.76,1.0,0.46922760605852926,0.5130559934206017,0.3211911452265095,0.3528887670481804,0.4140908779384552
EOS-3-27304,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2F)nc1,YUUCHULUIMKKGN-UHFFFAOYSA-N,3,1,0.724,88,876,462.435,4.596,5,0.367,0.76,1.0,0.9876550613391817,0.9829689534644644,0.8903690631211021,0.867855184702899,0.9322120656569117
EOS-3-27305,Clc1cnc(COc2cncc3nnc(-c4cc(-c5cnc6ccccc6c5)ccn4)n23)nc1,KAPFHJRHXPXAHI-UHFFFAOYSA-N,3,1,0.373,28,414,466.892,4.424,6,0.367,0.74,1.0,0.5141525597971353,0.5684068946610924,0.4744876978959633,0.557561167843191,0.5286520800493455
EOS-3-27306,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5ccc(F)nn5)[nH]4)n23)cc1,CVQVXDBQIYTRIW-UHFFFAOYSA-N,3,1,0.313,39,407,455.392,2.769,6,0.425,0.57,0.212,0.2530412583099171,0.2991570145980399,0.21595504077856212,0.35289733397299705,0.28026266191487903
EOS-3-27307,OCc1cc(-c2cccc(Cl)n2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,YWGRVTKHLREMFP-UHFFFAOYSA-N,3,1,0.441,18,393,459.897,3.411,5,0.368,0.68,1.0,0.4892228085806319,0.4460626413542595,0.4918014529504489,0.49438009732026594,0.48036675005140156
EOS-3-27308,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nccn5C)no4)n23)c(F)c1,LBJNGCRUBFHOFT-UHFFFAOYSA-N,3,1,0.31,98,765,442.418,2.781,6,0.409,0.59,1.0,0.20659995887876087,0.28890240559248853,0.18170447536152423,0.20146837091357686,0.21966880268658762
EOS-3-27309,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)nc5)[nH]4)n23)cc1,ZQONWMDBTKARSU-UHFFFAOYSA-N,3,1,0.312,98,882,439.418,2.573,6,0.415,0.61,0.941,0.12642210951956687,0.20732814748817766,0.22295421835377974,0.25741895689123434,0.20353085806318966
EOS-3-27310,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(C)n5)n34)c2)o1,UZVWHTRRMBGIHB-UHFFFAOYSA-N,3,1,0.438,18,367,431.431,3.614,5,0.402,0.68,1.0,0.6176667123569324,0.4328867109862244,0.3322510451648276,0.2452881913508327,0.4070231649647043
EOS-3-27311,Cn1cccc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,QFMIUWHYTKEDKU-UHFFFAOYSA-N,3,1,0.556,4,32,417.86,3.819,5,0.432,0.74,1.0,0.7698752655746693,0.8422657802755124,0.5568072784593242,0.5830477691727778,0.6879990233705708
EOS-3-27312,Cc1ncncc1-c1cc(-c2nnc3cncc(OCCc4nncs4)n23)nnc1F,WJXCMJHHHSFBLS-UHFFFAOYSA-N,3,1,0.362,53,779,436.436,1.959,5,0.389,0.64,0.796,0.5117366869988349,0.44607120827907615,0.034499006236721266,0.04375985196353917,0.2590166883695429
EOS-3-27313,COc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)nc1,NJVNYMRVOWNPMC-UHFFFAOYSA-N,3,1,0.494,65,131,444.43,2.808,5,0.374,0.63,1.0,0.7755979713522034,0.6894061407717086,0.40990165170310466,0.3209855390309095,0.5489728257144815
EOS-3-27314,FC(F)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnccn5)n4)n23)cn1,ISDMOIMUQTZNBG-UHFFFAOYSA-N,3,1,0.447,7,540,433.382,2.95,5,0.398,0.62,1.0,0.6491244602837366,0.655429716948804,0.457191076691111,0.3628092659858817,0.5311386299773833
EOS-3-27315,Fc1cnc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)nc1,RZMSVQVBXFOOQF-UHFFFAOYSA-N,3,1,0.619,11,141,463.86,4.183,5,0.354,0.74,1.0,0.9358851346720581,0.8916798026180522,0.5923600164484957,0.5639178260571586,0.7459606949489412
EOS-3-27316,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nn2)o1,HHSLBQHPFBHSQW-UHFFFAOYSA-N,3,1,0.255,10,195,421.424,3.397,6,0.426,0.68,0.286,0.016251456377218833,0.01943835240901926,0.1915907065999589,0.2105664450688781,0.10946174011376877
EOS-3-27317,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5cccc(C#N)c5)n34)c(F)c2)n1,AFCCDCYUJOEWRJ-UHFFFAOYSA-N,3,1,0.295,98,581,476.439,2.512,6,0.371,0.68,1.0,0.16493900349530533,0.2683075183332191,0.2695240216571859,0.372395654855733,0.26879154958536083
EOS-3-27318,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1F,BEGRFTVKLWSWIO-UHFFFAOYSA-N,3,1,0.323,45,102,420.81,4.847,5,0.417,0.8,1.0,0.37596806250428344,0.5784387636214104,0.9160612706462888,0.9507658830786101,0.7053084949626482
EOS-3-27320,Cc1ncc(-c2nnc3cncc(Cc4ccnc(-c5ccnc(F)c5)c4)n23)cc1F,NHESUVNOHNFDNG-UHFFFAOYSA-N,3,1,0.324,85,81,415.407,3.821,5,0.415,0.78,0.999,0.3666472483037489,0.3817079021314509,0.752347337399767,0.7327633472688644,0.5583664587759578
EOS-3-27321,NC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4cc(F)c(F)cc4F)n23)nc1,JWUGTJXIWYMWIP-UHFFFAOYSA-N,3,1,0.337,45,575,453.409,3.493,5,0.417,0.6,0.989,0.1954201219930094,0.2785192927146871,0.6524998286615037,0.6684600095949558,0.448724813241039
EOS-3-27322,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)ccc1F,HIFKUPZYKWYEAI-UHFFFAOYSA-N,3,1,0.423,18,692,445.433,3.851,5,0.392,0.65,1.0,0.6735915975601399,0.5404016174354054,0.5796981015694607,0.5541600986909739,0.5869628538139949
EOS-3-27323,CCc1ncc(-c2nnc3cncc(OCc4ncc(C)cn4)n23)cc1-c1cncn1C,XPZSCDRAAVAQFR-UHFFFAOYSA-N,3,1,0.435,51,986,427.472,2.827,5,0.407,0.65,1.0,0.3214995545199095,0.15614933863340416,0.08466691796312796,0.04509629223493935,0.15185302583784527
EOS-3-27324,FCc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)cn1,NVNJWCAITAFDQI-UHFFFAOYSA-N,3,1,0.478,7,43,448.849,3.74,5,0.387,0.64,1.0,0.5892587896648619,0.6648104996230553,0.5197895963265027,0.5043776985813172,0.5695591460489342
EOS-3-27325,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)cn5)c4)n23)ncn1,XVAOZUJMGLFEOC-UHFFFAOYSA-N,3,1,0.426,46,488,432.394,3.204,5,0.417,0.6,1.0,0.737235282023165,0.5450363237612227,0.6345863888698513,0.579920841614694,0.6241947090672333
EOS-3-27326,c1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)c1,AWOXVQLKSUXBHH-UHFFFAOYSA-N,3,1,0.291,38,620,418.424,2.891,6,0.429,0.67,1.0,0.012319237886368309,0.016302857926118842,0.2810037009115208,0.31795284764580906,0.15689466109245426
EOS-3-27327,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)nn1,JDHPQIVZAMQBGV-UHFFFAOYSA-N,3,1,0.605,59,294,447.861,4.323,5,0.396,0.7,1.0,0.7756065382770201,0.792937427181139,0.8053080666164074,0.7946936467685559,0.7921364197107805
EOS-3-27328,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(Cl)nc5)c4)n23)cc1,BGTYFXCCRRXVMO-UHFFFAOYSA-N,3,1,0.573,97,230,475.871,3.719,5,0.371,0.77,1.0,0.9436896031800425,0.5886591049276951,0.7866750051401549,0.7140703173188953,0.7582735076416969
EOS-3-27329,Fc1ccc(-c2cc(F)nc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)cc1,NBLJTNUHMJPPFR-UHFFFAOYSA-N,3,1,0.548,11,384,448.408,4.287,5,0.361,0.74,1.0,0.8885785758344185,0.8783753683777671,0.8835069563429512,0.887970324172435,0.8846078061818929
EOS-3-27330,Cc1ncc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnn(C)c5)n4)n23)cn1,FCLLMORZGQLOIZ-UHFFFAOYSA-N,3,1,0.472,92,36,417.408,2.403,5,0.429,0.7,1.0,0.35977657460078133,0.3956377218833528,0.25182475498595025,0.18495133986704132,0.2980475978342814
EOS-3-27331,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)ncn2)n1,USQRMWGXBQAVAV-UHFFFAOYSA-N,3,1,0.517,36,391,455.269,2.658,5,0.394,0.61,1.0,0.4940973888013159,0.6992324035364266,0.2159636077033788,0.340132615996162,0.4373565040093208
EOS-3-27332,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cn1,SJTABQBFOHUROD-UHFFFAOYSA-N,3,1,0.303,39,972,464.468,3.728,6,0.379,0.7,1.0,0.167577616338839,0.1845829620999246,0.14108011788088548,0.22475327256527997,0.17949849222123226
EOS-3-27333,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(C)c(F)n5)c(Cl)nn4)n23)cn1,AGVNRKAWWDKAJW-UHFFFAOYSA-N,3,1,0.371,7,94,463.864,3.422,5,0.361,0.71,0.37,0.5921886779521623,0.5886676718525118,0.3027808237954904,0.2930659310533891,0.4441757761633883
EOS-3-27334,Cn1ncnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)s1,ZMHQYKIDGOZQSL-UHFFFAOYSA-N,3,1,0.293,30,301,437.492,3.772,6,0.414,0.67,0.838,0.04796621204852306,0.028767733534370503,0.09170036323761223,0.145089438695086,0.07838093687889795
EOS-3-27335,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4csc(-c5cnccn5)c4)n23)cc1,YEDOXGAAXFHLRG-UHFFFAOYSA-N,3,1,0.324,98,42,437.492,3.772,6,0.414,0.67,1.0,0.10760057569734768,0.11337468302378179,0.2733191693509698,0.2811065040093208,0.193850233020355
EOS-3-27336,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1nnc(C)s1,YHDHTXLOVORDAZ-UHFFFAOYSA-N,3,1,0.511,4,224,451.537,3.971,5,0.382,0.75,1.0,0.2850558563498047,0.252835652114317,0.06482592008772531,0.03030121307655404,0.1582546604071003
EOS-3-27337,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4scnc4-c4cccc(F)c4)n23)cc1,SVAKYANAAYLTPT-UHFFFAOYSA-N,3,1,0.38,9,642,454.494,4.516,6,0.389,0.74,1.0,0.17563052566650675,0.3091717497087246,0.39940716880268656,0.49745562332944965,0.3454162668768419
EOS-3-27338,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)nn1,HOYIIWKIHUWKLT-UHFFFAOYSA-N,3,1,0.457,24,241,428.431,3.373,5,0.42,0.64,1.0,0.5775906380645603,0.5175022274004524,0.43185868000822425,0.3304776917277774,0.4643573093002536
EOS-3-27339,Clc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c1,XGODESHVXLVWED-UHFFFAOYSA-N,3,1,0.333,3,498,453.853,4.014,6,0.389,0.66,1.0,0.18716160646974161,0.3041600986909739,0.37353505585634983,0.5210060996504695,0.34646571516688374
EOS-3-27340,Clc1cccc(CCOc2cncc3nnc(-c4cncnc4-c4cnccn4)n23)n1,YYGLIJITHFXGEY-UHFFFAOYSA-N,3,1,0.448,65,324,431.847,2.708,5,0.374,0.66,0.999,0.545233363032006,0.5835703515865944,0.17542491947090672,0.22802583784524708,0.38306361798368854
EOS-3-27341,Fc1ccncc1-c1cncc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)c1,WAVBFINVRNXFJP-UHFFFAOYSA-N,3,1,0.556,2,884,432.846,4.62,5,0.403,0.73,1.0,0.8487081077376465,0.842274347200329,0.9075114796792544,0.9235658967856898,0.8805149578507299
EOS-3-27342,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)ncn1,VVUCHRKZLHPTEO-UHFFFAOYSA-N,3,1,0.644,84,360,461.888,4.366,5,0.371,0.76,1.0,0.8752570077445,0.8387362072510451,0.7906586251799054,0.7689414707696526,0.8183983277362757
EOS-3-27343,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,KMNNTIOVXMFHTB-UHFFFAOYSA-N,3,1,0.464,65,349,451.853,2.791,5,0.387,0.62,1.0,0.537394626824755,0.5311407717085875,0.4711208964430128,0.4974641902542663,0.5092801213076554
EOS-3-27344,CCn1c(-c2cnccn2)nnc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)cc3)n12,UJXQYHCCPJKYMD-UHFFFAOYSA-N,3,1,0.333,8,754,463.509,3.236,6,0.382,0.63,1.0,0.0632324720718251,0.04126687684188884,0.03185182646837091,0.03643513124528819,0.04319657665684326
EOS-3-27345,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,QQCBGHOWHQRZRP-UHFFFAOYSA-N,3,1,0.31,42,369,451.45,3.312,6,0.388,0.66,0.852,0.26631999177575216,0.10386539647728052,0.26953258858200263,0.184959906791858,0.20616947090672336
EOS-3-27346,Cc1ncn(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)nc2)n1,RMGWEAZMPRMYGW-UHFFFAOYSA-N,3,1,0.277,70,392,432.451,3.199,6,0.417,0.59,1.0,0.021100335823452814,0.011325474607634844,0.185088410664108,0.18763278733465835,0.1012867521074635
EOS-3-27347,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ncn2)cn1,LRQOJRXPBYQPDW-UHFFFAOYSA-N,3,1,0.609,27,354,466.383,3.358,5,0.356,0.68,1.0,0.7785192927146871,0.9160355698718388,0.7926118840381057,0.7194075114796793,0.8016435645260778
EOS-3-27348,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)nc(C)n2)nn1,SITZIOIQFBCZCZ-UHFFFAOYSA-N,3,1,0.371,31,851,460.889,2.72,5,0.372,0.63,0.999,0.49919470906723323,0.46373620725104514,0.038516893975738466,0.04510485915975601,0.26163816736344325
EOS-3-27349,CCc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cn2)cn1,ZKIZEDHZQFNLLA-UHFFFAOYSA-N,3,1,0.402,92,986,427.472,2.827,5,0.407,0.68,1.0,0.2554399972585841,0.18904632992940854,0.06899801247344253,0.03340243986018779,0.13672169488040573
EOS-3-27350,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(C)n2)n1,PSKOXURHSVTCET-UHFFFAOYSA-N,3,1,0.456,65,658,425.456,2.672,5,0.405,0.62,1.0,0.4574395175107943,0.3333304776917278,0.07541463916112673,0.051709958193406895,0.2294736481392639
EOS-3-27351,Cn1nnc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cn5)n34)n2)n1,LHZVZICNUSBMIQ-UHFFFAOYSA-N,3,1,0.234,99,286,423.404,1.224,6,0.437,0.67,0.664,0.05115310808032349,0.04127544376670551,0.012927489548351724,0.01247344253306833,0.029457370982112263
EOS-3-27352,Fc1ncc(COc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)cc1Cl,HFQQXEGKTAVGCT-UHFFFAOYSA-N,3,1,0.482,2,419,433.834,4.015,5,0.386,0.71,1.0,0.7841391953944212,0.7800356384072373,0.8207970666849428,0.822313412377493,0.8018213282160236
EOS-3-27353,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)nn1,MZMVZASSIQJFIH-UHFFFAOYSA-N,3,1,0.4,54,411,448.393,2.904,5,0.362,0.64,0.951,0.6707987800699061,0.5267887739017202,0.4885888561441985,0.39167980261805224,0.5194640531834692
EOS-3-27354,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cn(CC5(O)CCC5)nn4)n23)cn1,SNGLTNWJLLZEEZ-UHFFFAOYSA-N,3,1,0.295,63,66,431.46,1.252,6,0.466,0.64,0.997,0.10531320677129738,0.08157425810431088,0.0007881570831334384,0.0047203755739839625,0.048098999383181414
EOS-3-27355,Cn1c(-c2cncnc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,LGIPXISFPNYDNB-UHFFFAOYSA-N,3,1,0.247,86,421,434.427,1.896,6,0.404,0.6,0.579,0.026488931533136865,0.016311424850935508,0.038525460900555135,0.05302926461517374,0.03358877047495031
EOS-3-27356,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)nn2C)ccc1Cl,XEXGOJUDFMGMRX-UHFFFAOYSA-N,3,1,0.522,95,235,451.943,4.232,5,0.384,0.74,1.0,0.3689003495305325,0.4239342745528065,0.26238777328490165,0.3150486601329587,0.34256776437529984
EOS-3-27357,FCc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)cn1,OXCVUZJZAQQMQQ-UHFFFAOYSA-N,3,1,0.597,27,412,465.395,4.507,5,0.346,0.8,1.0,0.9052069769035707,0.9196765129189226,0.8464121718867795,0.7664227948735521,0.8594296141457063
EOS-3-27358,Cc1cc(-c2nnc3cncc(OCc4nncc(-c5cnn(C)c5)n4)n23)ccc1Cl,AUIDMFXAEQCLPS-UHFFFAOYSA-N,3,1,0.472,92,404,433.863,2.918,5,0.416,0.62,1.0,0.427506682201357,0.6503323966828867,0.2884226578027551,0.3057021451579741,0.4179909704612432
EOS-3-27359,FC(F)c1ccc(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)nn1,KEQPVKKNFJTWLI-UHFFFAOYSA-N,3,1,0.506,72,506,432.394,3.555,5,0.401,0.62,1.0,0.5374031937495717,0.597894249880063,0.6439414707696526,0.567130422863409,0.586592334315674
EOS-3-27360,Fc1ccc(-c2cnccn2)cc1-c1nnc2cncc(OCCc3cnccn3)n12,MQJBVXSKGDSMAO-UHFFFAOYSA-N,3,1,0.53,20,658,414.404,2.799,5,0.418,0.78,1.0,0.6736001644849565,0.7843619354396546,0.3994157357275033,0.397616681516003,0.5637486292920293
EOS-3-27361,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)nc1,VAGYPYCZFWSAKX-UHFFFAOYSA-N,3,1,0.303,38,150,422.477,4.163,6,0.424,0.7,1.0,0.007504626139401001,0.07469501747652663,0.40662908642313755,0.41977931601672264,0.22715201151394696
EOS-3-27362,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(F)cc(-c5ccccn5)c4)n23)n1,JXECENPCACWAEP-UHFFFAOYSA-N,3,1,0.506,37,563,449.877,4.001,5,0.389,0.7,1.0,0.5504591871701734,0.5730844356109931,0.5128332533753683,0.5980741553012131,0.558612757864437
EOS-3-27363,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cccc(-c5ccnnc5)n4)n23)cc1,ZZVSAFWZGDOXAP-UHFFFAOYSA-N,3,1,0.299,76,543,448.425,3.301,6,0.4,0.59,1.0,0.19017716400520868,0.2889109725173052,0.3357292166403948,0.44189054896854224,0.3141769755328627
EOS-3-27364,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cn4)n23)cn1,KFPZSVSIQAGSJP-UHFFFAOYSA-N,3,1,0.248,70,813,421.428,2.434,6,0.46,0.63,1.0,0.06324103899664177,0.08158282502912755,0.15309094647385374,0.13799602494688507,0.10897770886162703
EOS-3-27365,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)c2)cn1,GMQATVOXPHWKFP-UHFFFAOYSA-N,3,1,0.462,16,606,443.898,4.493,5,0.395,0.7,1.0,0.597791446782263,0.612183880474265,0.6110359125488315,0.5541686656157906,0.5937949763552876
EOS-3-27366,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)cc(Cl)n2)s1,ONUXFNZMUWQMFY-UHFFFAOYSA-N,3,1,0.494,53,241,442.917,3.702,5,0.379,0.67,0.957,0.5192498800630526,0.5637464875608251,0.07765917346309369,0.11356315536974848,0.3185546741141799
EOS-3-27367,Cc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1nccn1C,BDDIPSCBDWUNTC-UHFFFAOYSA-N,3,1,0.414,31,954,446.902,3.565,5,0.368,0.69,1.0,0.5607480638749914,0.4996573230073333,0.1817130422863409,0.187641354259475,0.35743994585703515
EOS-3-27368,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c1,MSYPNHYGLZGLRE-UHFFFAOYSA-N,3,1,0.435,26,379,436.838,3.353,5,0.39,0.65,1.0,0.5665564389006922,0.517510794325269,0.5022359673771503,0.5109056952916181,0.5243022239736824
EOS-3-27369,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5c[nH]nn5)cn4)n23)cn1,YGQSDPPIDKEULG-UHFFFAOYSA-N,3,1,0.392,80,816,452.442,1.741,6,0.396,0.62,1.0,0.3215081214447262,0.24290658625179906,0.07101980673017613,0.05043348639572339,0.1714670002056062
EOS-3-27370,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)c(F)c5)n34)nc2)n1,LUQFUIRKAQCWLI-UHFFFAOYSA-N,3,1,0.291,70,596,451.425,3.808,6,0.394,0.65,1.0,0.27667740387910356,0.29916558152285655,0.45006339524364336,0.4384637790418751,0.36609253992186963
EOS-3-27371,Cn1c(C#N)ccc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5cncnc5)c4)n23)cc1,ZJNSWHIWAGNUNC-UHFFFAOYSA-N,3,1,0.302,42,171,455.485,4.187,6,0.392,0.71,1.0,0.23406551984099788,0.16381673634432184,0.7500428346240834,0.6946919333835926,0.4606542560482489
EOS-3-27372,c1cnnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)ccn2)c1,JFKHLTVVMVFOFS-UHFFFAOYSA-N,3,1,0.297,38,340,419.408,3.36,6,0.423,0.67,1.0,0.21215132615996163,0.14833630320060312,0.3508669727914468,0.3464207388115962,0.264443835240902
EOS-3-27373,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)cnc1=O,USKJSOUDQYDJMV-UHFFFAOYSA-N,3,1,0.485,65,353,444.43,2.103,5,0.391,0.65,1.0,0.45744808443561097,0.24798677266808306,0.2810122678363375,0.2603231444040847,0.31169256733602907
EOS-3-27374,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)c2)no1,ACMGTOFGYVDBFJ-UHFFFAOYSA-N,3,1,0.625,35,393,417.404,3.305,5,0.414,0.77,1.0,0.7315554108697142,0.7134363648824618,0.3847148927421013,0.34014118292097867,0.542461962853814
EOS-3-27375,FCc1ccc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)cn1,WLMSFAQHKMAGLX-UHFFFAOYSA-N,3,1,0.272,42,957,461.464,4.237,6,0.375,0.72,1.0,0.19840141182920978,0.1718610787471729,0.4280378315399904,0.4324926324446577,0.3076982386402577
EOS-3-27376,Cn1ccnc1-c1ncccc1-c1nnc2cncc(-c3cccc(-c4ccccn4)n3)n12,OJPUWFAVYBEDLB-UHFFFAOYSA-N,3,1,0.293,76,368,431.463,3.711,6,0.419,0.61,1.0,0.06505722705777534,0.026343293811253513,0.16895689123432253,0.1904170379000754,0.11269361250085669
EOS-3-27377,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)nc2)nc1,XQQVTKQSHSODJT-UHFFFAOYSA-N,3,1,0.286,86,459,453.466,3.968,6,0.395,0.63,1.0,0.2396425878966486,0.28891953944212184,0.2773798917140703,0.33696285381399493,0.2857262182167089
EOS-3-27378,Cc1cnnc(-c2cc(Cl)nc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)n1,KCEMXIJTKFHBSP-UHFFFAOYSA-N,3,1,0.466,18,466,445.874,3.017,5,0.363,0.64,1.0,0.617675279281749,0.5979028168048797,0.18509697758892468,0.21365053800287848,0.403581402919608
EOS-3-27379,Cn1cccc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,GTBOKKWMNSVTGB-UHFFFAOYSA-N,3,1,0.484,2,265,449.877,4.001,5,0.389,0.66,1.0,0.7285141525597971,0.6744911246658899,0.7684959906791858,0.7613083407580015,0.7332024021657186
EOS-3-27380,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5nccnc5Cl)cnn4)n23)nc1,YGIRFNDXNUMOQQ-UHFFFAOYSA-N,3,1,0.404,46,128,452.265,3.319,5,0.396,0.62,1.0,0.5298985676101706,0.6744996915907066,0.33573778356521145,0.4639075457473785,0.5010108971283668
EOS-3-27381,c1cnnc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nnco6)c5)n34)cn2)c1,WPTDXENSHWJBMJ-UHFFFAOYSA-N,3,1,0.277,70,887,420.396,2.755,6,0.419,0.65,0.997,0.18169590843670755,0.14454115550681929,0.2265523267767802,0.23680693578233158,0.19739908162565964
EOS-3-27382,COCc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5)c4)n23)n1,TZLIYRIILHDMJT-UHFFFAOYSA-N,3,1,0.5,4,183,459.897,4.022,5,0.359,0.71,1.0,0.6287094784456172,0.6215132615996162,0.47449626482077994,0.4761668151600302,0.5502214550065109
EOS-3-27383,COc1nn(C)c(-c2ccccn2)c1-c1cncc2nnc(-c3cc(F)ccc3F)n12,IGQNIYFWXNOGDM-UHFFFAOYSA-N,3,1,0.362,22,844,419.395,3.541,5,0.443,0.75,0.995,0.387404907134535,0.4855218970598314,0.4465509560688095,0.48224076485504763,0.45042963127955593
EOS-3-27384,N#Cc1ncc(COc2cncc3nnc(-c4cnc(-c5cccc(F)n5)cn4)n23)cn1,CGTBSJKWGZAMRS-UHFFFAOYSA-N,3,1,0.376,7,62,426.375,2.023,5,0.383,0.64,1.0,0.7006545130559935,0.5933023781783291,0.2695411555068193,0.25137070797066685,0.45371718867795213
EOS-3-27385,Cc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1-c1ncccn1,NCLSJMKMLUSNJR-UHFFFAOYSA-N,3,1,0.693,59,293,446.873,4.928,5,0.381,0.78,1.0,0.9490010965663765,0.9319015146323076,0.8690973888013159,0.8563241038996642,0.9015810259749161
EOS-3-27386,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4)n23)cc1,OZVBDRWEVFCERR-UHFFFAOYSA-N,3,1,0.359,61,269,410.441,2.613,5,0.489,0.78,1.0,0.1871701733945583,0.05583921595504078,0.26954972243163594,0.1876499211842917,0.17505225824138168
EOS-3-27387,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)ccn2)cn1,KCTVRJSFIPZHIQ-UHFFFAOYSA-N,3,1,0.489,75,819,429.419,2.502,5,0.401,0.6,1.0,0.6259423617298334,0.5784473305462271,0.1754334863957234,0.152619765608937,0.3831107360701802
EOS-3-27388,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nc2)nn1,YNXOBROOIMKXKV-UHFFFAOYSA-N,3,1,0.467,46,128,419.836,2.609,5,0.427,0.66,0.998,0.19542868891782605,0.367418271537249,0.255157288739634,0.28418203001850456,0.2755465698033034
EOS-3-27389,Cn1cnnc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,HQDPGSDUMVZYRD-UHFFFAOYSA-N,3,1,0.556,36,404,419.836,2.609,5,0.427,0.66,1.0,0.6430933452128024,0.8010331711328902,0.23031320677129738,0.3118531971763416,0.4965732300733329
EOS-3-27390,Cc1nc(CF)cc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)n1,LSFMFJHFJHGVKC-UHFFFAOYSA-N,3,1,0.423,46,128,446.421,3.534,5,0.39,0.61,1.0,0.592197244876979,0.5450448906860393,0.41319991775752174,0.3559985607566308,0.47661015351929265
EOS-3-27391,Fc1cccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)nn2)c1,RUPCUTOHNXFBOQ-UHFFFAOYSA-N,3,1,0.304,10,37,471.847,3.079,6,0.381,0.66,0.878,0.026497498457953534,0.26316736344321845,0.22656089370159688,0.4261188403810568,0.23558614899595642
EOS-3-27392,c1ccc(-c2ccc(-c3nnc4cncc(-c5n[nH]c(-c6ccccc6)n5)n34)nn2)cc1,TZUYEPNXYGUXOJ-UHFFFAOYSA-N,3,1,0.28,30,220,417.436,3.7,6,0.466,0.73,0.54,0.06695051744225892,0.130054485641834,0.18172160921115757,0.2901617435405387,0.1672220889589473
EOS-3-27393,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5F)n34)nc2)n1C,XQJUQFWHLBNZOB-UHFFFAOYSA-N,3,1,0.347,32,179,462.492,4.763,6,0.375,0.79,1.0,0.19543725584264274,0.2631759303680351,0.6081317250359811,0.5830563360975944,0.41245031183606334
EOS-3-27394,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)ncn2)cn1,MQKJBCAYCSCBSY-UHFFFAOYSA-N,3,1,0.511,4,675,417.379,3.501,5,0.404,0.79,1.0,0.637353505585635,0.7413131382358988,0.7351877869919814,0.7246076348433966,0.709615516414228
EOS-3-27395,FCc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)n1,YMXJTFUDRSGJGT-UHFFFAOYSA-N,3,1,0.549,7,212,448.849,3.74,5,0.387,0.63,1.0,0.8321996436159276,0.9420790213145089,0.4538671098622438,0.504386265506134,0.6831330100747035
EOS-3-27396,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)s2)o1,PRWTYNVYCQMHNU-UHFFFAOYSA-N,3,1,0.5,4,268,438.9,4.752,5,0.391,0.8,1.0,0.667500514015489,0.7716914536358029,0.38100541429648416,0.40067507367555344,0.5552181139058324
EOS-3-27397,COc1cncc(CCOc2cncc3nnc(-c4cc(F)cc(-c5cnc(C)cn5)c4)n23)c1,RLCPZONLPXKCFS-UHFFFAOYSA-N,3,1,0.505,35,426,457.469,3.721,5,0.365,0.67,1.0,0.7315639777945309,0.6503409636077033,0.5797066684942773,0.44503461037625935,0.6016615550681927
EOS-3-27398,Cc1cc(-c2nnc3cncc(OCc4cccnc4-c4cccnc4)n23)ccc1Cl,KXNCPHZQUXPJGJ-UHFFFAOYSA-N,3,1,0.536,97,91,428.883,4.789,5,0.4,0.79,1.0,0.8598965115482147,0.8862569392091015,0.7613597423069015,0.7587211294633678,0.8165585806318965
EOS-3-27399,Cc1nnc(-c2cnn(C)c2F)cc1COc1cncc2nnc(-c3ccc(C(N)=O)nn3)n12,MAUFJVUCWSWTQJ-UHFFFAOYSA-N,3,1,0.356,53,105,461.421,0.897,5,0.384,0.62,1.0,0.3215166883695429,0.21220272770886162,0.02842505654170379,0.016251456377218833,0.14459898224933176
EOS-3-27400,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)c(Cl)c2)n1,XLACOMYBGYRKHS-UHFFFAOYSA-N,3,1,0.633,4,677,435.9,4.246,5,0.407,0.71,1.0,0.6004814611746967,0.8052737989171407,0.38472345966691796,0.4261274073058735,0.5541515317661573
EOS-3-27401,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cnn2)nn1,UXJOVVZLSGVRRZ-UHFFFAOYSA-N,3,1,0.495,53,778,445.874,3.017,5,0.388,0.61,1.0,0.6580597628675211,0.6894147076965252,0.24814954423959976,0.2841905969433212,0.46995365293674185
EOS-3-27402,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnnn5C)c(F)c4)n23)n1,JUOXCGQZDYHLFP-UHFFFAOYSA-N,3,1,0.517,15,563,430.447,3.051,5,0.408,0.63,1.0,0.5978000137070797,0.5542886025632239,0.3468919196765129,0.3022154067575903,0.4502989856761017
EOS-3-27403,COc1nc(-c2nnc3cncc(OCc4ccc(C#N)cc4F)n23)ccc1-c1ncccc1F,PJVNKMDKJPSILF-UHFFFAOYSA-N,3,1,0.421,49,703,471.427,3.986,5,0.366,0.76,0.998,0.8345298471660613,0.7273404838599137,0.817310328284559,0.7561082173942841,0.7838222191762045
EOS-3-27405,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)nc1,IOEOZUNTNPPZEH-UHFFFAOYSA-N,3,1,0.543,27,69,450.384,3.694,5,0.386,0.66,1.0,0.7285227194846138,0.8317798642999109,0.740070934137482,0.6483877047495031,0.7371903056678776
EOS-3-27406,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)ccc1C(F)F,ASKYPJRHFUMJGA-UHFFFAOYSA-N,3,1,0.462,27,343,450.384,3.694,5,0.386,0.64,1.0,0.7672109519566856,0.7843705023644713,0.8188866424508259,0.7714001781920362,0.7854670687410047
EOS-3-27407,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5nccs5)ccn4)n23)c1,TZWRHMHUKNBRFU-UHFFFAOYSA-N,3,1,0.553,11,159,418.457,4.07,5,0.414,0.77,1.0,0.5452419299568227,0.49966588993214994,0.5093979165238846,0.5241501610581866,0.5196139743677609
EOS-3-27409,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)c(F)c1,RQSINIHFXCCIIQ-UHFFFAOYSA-N,3,1,0.43,67,765,468.456,3.314,6,0.379,0.71,1.0,0.46194571996436157,0.5221712014255363,0.3062846960455075,0.26936125008566925,0.38994071688026866
EOS-3-27410,Cn1nnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)n1,XRFFEGKOFUZCRM-UHFFFAOYSA-N,3,1,0.517,36,404,438.814,2.143,5,0.406,0.62,1.0,0.542629017887739,0.7843790692892879,0.24444006579398259,0.3336474539099445,0.4762739017202385
EOS-3-27412,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5F)cc4F)n23)n(C)n1,ZVLFIAYNXXAZMA-UHFFFAOYSA-N,3,1,0.593,91,70,446.461,4.4,5,0.387,0.73,1.0,0.5951014323898294,0.6452265094921527,0.6935610993077925,0.7055462271263108,0.6598588170790213
EOS-3-27413,Cn1c(Cc2ccccc2)nnc1-c1cncc2nnc(-c3ncncc3-c3ccccc3)n12,WLCNQAPXMFFSQJ-UHFFFAOYSA-N,3,1,0.258,30,342,445.49,3.635,6,0.399,0.68,0.718,0.05636179836885751,0.031620519498320884,0.0869457199643616,0.18234699472277432,0.08931875813857858
EOS-3-27414,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1nc[nH]n1,MHMLYSYXZCWMLY-UHFFFAOYSA-N,3,1,0.539,47,164,454.828,3.525,5,0.418,0.63,1.0,0.9277122883969571,0.8888784182030018,0.7637584812555686,0.7923634432184223,0.8431781577684875
EOS-3-27415,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)c(F)n4)n23)cc1,UHKGBRWGFWKDQB-UHFFFAOYSA-N,3,1,0.325,98,42,450.441,3.245,6,0.376,0.61,1.0,0.2011428277705435,0.19800733328764306,0.4099102186279213,0.3976252484408197,0.3016714070317319
EOS-3-27416,Cn1cnc(-c2cnccn2)c1-c1cncc2nnc(-c3ccc(-c4ccccc4F)cn3)n12,ONJYMWTWNWDJCF-UHFFFAOYSA-N,3,1,0.333,64,596,449.453,3.85,6,0.403,0.68,0.965,0.14282777054348572,0.2277516962511137,0.41320848468233845,0.4883232814748818,0.31802780823795496
EOS-3-27418,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)o1,CTIMPCHYIOYPKV-UHFFFAOYSA-N,3,1,0.74,91,655,433.418,4.654,5,0.388,0.77,1.0,0.9455571927900761,0.754617572476184,0.8718645055170996,0.8223219793023097,0.8485903125214174
EOS-3-27419,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cn1,BIXKMZNBSDBJRR-UHFFFAOYSA-N,3,1,0.517,2,858,430.859,3.579,5,0.416,0.62,1.0,0.4596840518127613,0.5784558974710438,0.4607206497155781,0.4514084024398602,0.4875672503598108
EOS-3-27420,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)s1,WFDDVTCATLZKEJ-UHFFFAOYSA-N,3,1,0.605,84,884,432.484,4.379,5,0.396,0.73,1.0,0.6615122335686382,0.6402062915495854,0.5860204920841615,0.5541772325406072,0.6104790624357481
EOS-3-27421,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccsc5)n4)n23)cc1,SDDZSSYKTMJLBK-UHFFFAOYSA-N,3,1,0.305,39,527,441.455,3.697,6,0.411,0.6,0.998,0.051161675005140156,0.15615790555822082,0.20911006785004455,0.3240096634911932,0.18510982797614967
EOS-3-27422,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccsc5)n4)n23)cc1,HGTNLYRTHLYKBZ-UHFFFAOYSA-N,3,1,0.325,94,871,441.455,3.697,6,0.411,0.6,0.997,0.0527722568706737,0.2073367144129943,0.2991056130491399,0.4006836406003701,0.2399745562332945
EOS-3-27423,Cc1nc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)ncc1F,KOZFNCIPZFKQJP-UHFFFAOYSA-N,3,1,0.489,75,583,428.431,3.107,5,0.406,0.64,1.0,0.7641953944212185,0.6073949695017477,0.18173017613597423,0.1738914399287232,0.43180299499691593
EOS-3-27424,CCn1ccnc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4ccncc4)cc3)n12,UVKSIHAOBLPTJG-UHFFFAOYSA-N,3,1,0.28,42,174,444.502,4.799,6,0.38,0.78,1.0,0.07484922212322664,0.037557398396271674,0.3735436227811665,0.41020149407168804,0.22403793434308822
EOS-3-27425,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)cn1,PNDSZPTUBBEQQR-UHFFFAOYSA-N,3,1,0.351,32,20,446.449,4.511,6,0.368,0.73,0.992,0.3191522171201426,0.39100301555753547,0.7041840860804606,0.7055547940511274,0.5299735282023165
EOS-3-27426,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4nc5ccncc5s4)n23)cc1,RZBHNPXETJAYEX-UHFFFAOYSA-N,3,1,0.473,40,22,440.492,3.776,6,0.403,0.71,1.0,0.37597662942910015,0.35293160167226373,0.2518333219107669,0.24264101158248236,0.3058456411486533
EOS-3-27427,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)n1,DTHAYUKHPNJZLR-UHFFFAOYSA-N,3,1,0.522,11,490,433.472,3.774,5,0.402,0.69,1.0,0.8665701459803988,0.8387447741758618,0.30629326297032416,0.28111507093413746,0.5731808135151806
EOS-3-27428,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,WEUMCHVCHVXHRO-UHFFFAOYSA-N,3,1,0.293,64,174,418.42,3.965,6,0.423,0.74,1.0,0.12366355972859983,0.07119114522650949,0.309959906791858,0.3593824960592146,0.21604927695154547
EOS-3-27429,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ncn2)c(F)n1,IPYSEAAJBNIUGG-UHFFFAOYSA-N,3,1,0.389,44,971,435.369,4.161,5,0.392,0.71,0.999,0.6521400178192036,0.679545610307724,0.8336303200603111,0.8121359056952916,0.7443629634706326
EOS-3-27430,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccnc4F)n23)nc1,JENWUTCUYAYUAB-UHFFFAOYSA-N,3,1,0.276,99,356,452.417,2.035,6,0.365,0.61,0.886,0.15399047357960385,0.1934497292851758,0.07766774038791036,0.12046809677198272,0.1363940100061682
EOS-3-27431,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4nnnn4C)n23)cc1,XLJJLYITUVAFAZ-UHFFFAOYSA-N,3,1,0.467,56,415,466.469,1.751,6,0.356,0.68,1.0,0.3805770680556507,0.22252587211294633,0.02843362346652046,0.02564937290110342,0.16429648413405523
EOS-3-27432,Cc1cccc(-c2ncc(F)c(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n2)n1,DQAZENZWTFPYTR-UHFFFAOYSA-N,3,1,0.409,46,128,448.849,3.718,5,0.4,0.64,0.995,0.6615208004934549,0.7546261394010007,0.31757590295387567,0.36915735727503257,0.5257200500308409
EOS-3-27433,Cc1ccc(-c2nnc3cncc(OCc4nnc(-c5cnc(Cl)cn5)s4)n23)nn1,BJFDQXKCNKHOTF-UHFFFAOYSA-N,3,1,0.387,53,587,438.864,2.431,5,0.403,0.61,1.0,0.35513330135014737,0.4768436022205469,0.01610581865533548,0.028519292714687138,0.21915050373517922
EOS-3-27434,Cc1nn(C)cc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,XYNWFGKPBCFIHJ-UHFFFAOYSA-N,3,1,0.477,15,482,446.902,3.565,5,0.393,0.64,1.0,0.48415118908916455,0.522179768350353,0.28102083476115414,0.2782622849701871,0.3914035192927148
EOS-3-27435,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cnc(F)cn5)n4)n23)cn1,FVKVVYRVAYOELL-UHFFFAOYSA-N,3,1,0.505,87,390,450.384,3.077,5,0.364,0.66,0.987,0.8511668151600301,0.909970187101638,0.5599170721677746,0.5703858542937427,0.7228599821807964
EOS-3-27436,Clc1cnc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)nc1,AODOSOFHDXDGGA-UHFFFAOYSA-N,3,1,0.266,99,852,443.822,1.662,6,0.425,0.58,0.992,0.051170241929956825,0.14454972243163594,0.025186758961003357,0.04644129943115619,0.06683700568843809
EOS-3-27437,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccoc6)cc5)n34)n2)cc1,UMKHHJQEPUOVJA-UHFFFAOYSA-N,3,1,0.364,3,289,423.411,4.438,6,0.417,0.72,1.0,0.04797477897333973,0.1718696456719896,0.6583082036872044,0.7272291138372969,0.4013454355424577
EOS-3-27438,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)s2)nc1,AQQSPMUYYQKDOQ-UHFFFAOYSA-N,3,1,0.258,86,557,435.476,3.829,6,0.411,0.65,0.999,0.07485778904804331,0.11966280583921596,0.19850421492700981,0.21908196833664587,0.15302669453772874
EOS-3-27439,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cn1,KQOPDLJFEUXGGM-UHFFFAOYSA-N,3,1,0.436,92,185,430.392,-0.155,5,0.378,0.66,1.0,0.29871153450757315,0.14834487012541978,0.005919745048317456,0.0018504557604002467,0.11370665136042765
EOS-3-27441,C#Cc1cc(-c2nnc3cncc(Oc4ccc(-c5nncn5C)nc4)n23)ccc1Cl,MGWOJMGLFSRZTJ-UHFFFAOYSA-N,3,1,0.444,36,374,428.843,3.409,5,0.405,0.65,1.0,0.580280652456994,0.6992409704612432,0.5299585360838873,0.5475635665821397,0.5892609313960661
EOS-3-27442,Clc1cnnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)c1,JLHZBNOFTSYABN-UHFFFAOYSA-N,3,1,0.321,98,608,465.868,3.211,6,0.382,0.64,1.0,0.24491981358371598,0.32859296826811046,0.19159927352477554,0.29017031046535535,0.2638205914604893
EOS-3-27443,Clc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccnnc5)nc4)n23)nc1,WSTHBCPWZXENNU-UHFFFAOYSA-N,3,1,0.265,86,953,465.868,3.211,6,0.382,0.64,1.0,0.21215989308477828,0.24799533959289974,0.15939620313892125,0.2513792748954835,0.21773267767802068
EOS-3-27444,Fc1c(Cl)cccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,DPHWXZVRLMGSAG-UHFFFAOYSA-N,3,1,0.302,30,158,469.871,4.289,6,0.379,0.75,1.0,0.07486635597285998,0.2991741484476732,0.46786546501267906,0.6513261599616201,0.37330803234870813
EOS-3-27445,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)s4)n23)cn1,BOZGZHLTMNHXPQ-UHFFFAOYSA-N,3,1,0.271,70,957,436.504,4.377,6,0.408,0.72,1.0,0.09523850318689603,0.0780275512302104,0.32119971215132614,0.327316496470427,0.2054455657597149
EOS-3-27446,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2F)c1,XIGZTZLKJYKJSE-UHFFFAOYSA-N,3,1,0.536,16,772,435.85,3.958,5,0.415,0.64,1.0,0.8828558700568844,0.7929459941059557,0.8033376739085738,0.7991313138235899,0.819567712973751
EOS-3-27447,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nn2)n1,UZFCWWCREKLYEU-UHFFFAOYSA-N,3,1,0.35,38,50,452.869,3.544,6,0.373,0.66,1.0,0.016260023302035503,0.13006305256665068,0.3469004866013296,0.4418991158933589,0.23378066959084365
EOS-3-27448,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5F)n34)cc2)nc1,VMSHFEDCZLWCFV-UHFFFAOYSA-N,3,1,0.359,9,867,465.427,4.046,6,0.384,0.67,1.0,0.39407854156671923,0.4414279350284422,0.7325577410732643,0.7458707422383661,0.578483739976698
EOS-3-27450,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(Cl)nc(C)n5)n4)n23)cn1,LKXGEQNRAFPCSX-UHFFFAOYSA-N,3,1,0.426,7,85,445.874,3.283,5,0.375,0.66,1.0,0.558023781783291,0.5933109451031457,0.20191385100404358,0.18235556164759098,0.38390103488451777
EOS-3-27451,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nnc1Cl,ZFWXDQUAOQOFNB-UHFFFAOYSA-N,3,1,0.429,87,367,453.89,4.119,5,0.382,0.69,1.0,0.6259509286546501,0.669719347543006,0.4429699814954424,0.5346446439586047,0.5683212254129258
EOS-3-27452,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)nn2)n(C)n1,BKRJIAILBXYONH-UHFFFAOYSA-N,3,1,0.396,53,105,436.386,1.937,5,0.38,0.63,0.99,0.44585703515865943,0.3529401685970804,0.11781235007881571,0.13350695634295112,0.2625291275443767
EOS-3-27453,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1ncnn1C,SKBANSMSGYBJHV-UHFFFAOYSA-N,3,1,0.523,43,718,465.876,3.967,5,0.374,0.71,1.0,0.7160321431019121,0.6648190665478719,0.7221660612706463,0.659687478582688,0.6906761873757796
EOS-3-27454,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccn1,AAXGPQSLQDSJRW-UHFFFAOYSA-N,3,1,0.478,75,359,433.863,2.652,5,0.402,0.62,1.0,0.5580323487081077,0.4996744568569666,0.20192241792886026,0.207448084435611,0.3667693269823864
EOS-3-27455,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn(C)c2=O)cn1,SDTNJERJSIULMI-UHFFFAOYSA-N,3,1,0.468,65,552,458.457,2.411,5,0.357,0.69,1.0,0.38058563498046744,0.18459152902474127,0.34690905352614626,0.27516962511137,0.2968139606606812
EOS-3-27456,Cc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(CO)nc5)ccn4)n23)ccn1,QGFLGAXNTKGKLC-UHFFFAOYSA-N,3,1,0.435,18,840,439.479,3.066,5,0.412,0.63,1.0,0.42972551572887396,0.2836765814543212,0.43949181001987525,0.32732506339524364,0.3700547426495785
EOS-3-27457,COc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)c(F)c3)n12,BCEMAMOZCJMLEC-UHFFFAOYSA-N,3,1,0.558,37,325,446.446,2.751,5,0.376,0.63,1.0,0.5607566307998081,0.526797340826537,0.21264820779932836,0.1551555753546707,0.363839438695086
EOS-3-27458,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)nc1,KNSUIHOATOLMMA-UHFFFAOYSA-N,3,1,0.412,18,949,449.837,2.847,5,0.385,0.61,1.0,0.6947604687821259,0.6554382838736207,0.18510554451374134,0.257427523816051,0.44818295524638474
EOS-3-27459,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)no1,PTEYDNZQNZBWMW-UHFFFAOYSA-N,3,1,0.62,16,32,419.832,3.777,5,0.424,0.73,1.0,0.8371770269344116,0.8490422178054965,0.3694914673428826,0.41344835857720513,0.617289767664999
EOS-3-27460,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)ccn1,KIMNVROKOUCJEQ-UHFFFAOYSA-N,3,1,0.506,35,76,431.406,3.543,5,0.38,0.68,1.0,0.8371855938592283,0.7674508258515523,0.7065571242546775,0.6973476800767596,0.7521353060105543
EOS-3-27461,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)nn2)cn1,MJGPOCHHQNNXDM-UHFFFAOYSA-N,3,1,0.279,10,935,436.414,3.03,6,0.388,0.61,1.0,0.010691522171201425,0.1334384209444178,0.277388458638887,0.3401497498457954,0.19041703790007541
EOS-3-27462,Cn1cnc(-c2ccccc2-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)n1,LZFGOICJFFNILC-UHFFFAOYSA-N,3,1,0.685,43,96,419.395,3.444,5,0.434,0.68,1.0,0.664639161126722,0.5835789185114112,0.7014855047632101,0.6861592762661914,0.6589657151668837
EOS-3-27463,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ncn2)s1,VQORFGDMDLPSNB-UHFFFAOYSA-N,3,1,0.438,31,194,450.915,3.683,5,0.386,0.67,0.976,0.5117452539236516,0.545053457610856,0.17544205332054005,0.20147693783839354,0.3584294256733603
EOS-3-27464,CCn1cnnc1-c1cccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,YOIGFHVPXDGHFY-UHFFFAOYSA-N,3,1,0.539,15,438,430.447,3.225,5,0.391,0.64,1.0,0.5167654718662189,0.42826913851004045,0.32120827907614286,0.3087605373175245,0.39375085669248167
EOS-3-27465,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)sn2)o1,UJOAQZKFKOMLEA-UHFFFAOYSA-N,3,1,0.311,98,882,442.468,3.069,6,0.405,0.63,1.0,0.061604756356658213,0.09438181070522925,0.038534027825371804,0.03880816941950518,0.05833219107669111
EOS-3-27466,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccn6)n5)n34)nc2)nn1,PEMVZNYMJOQBBK-UHFFFAOYSA-N,3,1,0.279,99,286,423.404,1.019,6,0.403,0.66,0.612,0.0017819203618669043,0.006133918168734151,0.011428277705434857,0.01020320745665136,0.007386830923171819
EOS-3-27467,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnc(C)nc5)c(C)c4)n23)n1,OWLZUXDBYOGFAR-UHFFFAOYSA-N,3,1,0.494,4,464,429.509,4.209,5,0.413,0.74,1.0,0.3142947707490919,0.3195120279624426,0.24444863271879927,0.15516414227948735,0.25835489342745527
EOS-3-27468,Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)c(Cl)n1,RAWJOVKOCHBCKW-UHFFFAOYSA-N,3,1,0.473,44,481,444.886,3.622,5,0.366,0.69,0.995,0.6646477280515386,0.5835874854362278,0.2919008292783222,0.30876910424234116,0.4622262867521074
EOS-3-27469,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)s1,YTDCPXZSGKITAK-UHFFFAOYSA-N,3,1,0.528,19,207,433.472,3.774,5,0.402,0.66,1.0,0.539998971969022,0.490070934137482,0.3883387019395518,0.3945839901309026,0.45324814954423953
EOS-3-27471,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)ccn2)ccn1,TUCCEZLSFOBVAI-UHFFFAOYSA-N,3,1,0.5,75,43,430.859,3.579,5,0.39,0.65,1.0,0.5374117606743883,0.5542971694880405,0.48859742306901516,0.445043177301076,0.50633738263313
EOS-3-27473,Fc1c(Cl)cccc1Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)n1,TYGROIOUHZKXBA-UHFFFAOYSA-N,3,1,0.287,22,844,441.257,3.939,5,0.42,0.62,0.753,0.20386710986224385,0.3242495373860599,0.6314937290110342,0.8076297032417243,0.49181001987526557
EOS-3-27474,Cc1cnnc(-c2cnc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)nc2)n1,KUWRCLZLSBIUGA-UHFFFAOYSA-N,3,1,0.28,86,780,445.45,2.866,6,0.399,0.58,0.994,0.0768024809814269,0.05584778287985745,0.0733157425810431,0.0902953875676787,0.07406534850250154
EOS-3-27475,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cc5F)cc4)n23)n1,MMNOKCFQTMLOCM-UHFFFAOYSA-N,3,1,0.298,38,746,468.431,3.384,6,0.387,0.65,1.0,0.20660852580357755,0.2943081351518059,0.35087553971626345,0.44505174422589266,0.32421098622438493
EOS-3-27476,COCc1ncc(-c2nnc3cncc(Cc4ccc(-c5ncc(C)nn5)nc4)n23)cn1,YPTSWTWDBFMYCT-UHFFFAOYSA-N,3,1,0.295,85,976,426.444,1.874,5,0.396,0.62,1.0,0.14843053937358647,0.08159139195394421,0.034507573161537936,0.02377321636625317,0.07207568021383046
EOS-3-27477,Cc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5)nc(C)n4)n23)n1,VCUAHLACOVSSNX-UHFFFAOYSA-N,3,1,0.451,44,531,442.458,3.416,5,0.394,0.63,1.0,0.6373620725104516,0.5637550544856418,0.22656946062641353,0.22803440477006373,0.41393024809814266
EOS-3-27478,Cn1nnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)n1,WCMNUZKNDOGVFW-UHFFFAOYSA-N,3,1,0.409,53,128,438.814,2.143,5,0.406,0.59,1.0,0.3940871084915359,0.540410184360222,0.0939705983140292,0.16582996367623878,0.29857446371050644
EOS-3-27479,Fc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)cn1,NSFLPBXPXNUUSJ-UHFFFAOYSA-N,3,1,0.412,85,290,448.412,3.9,5,0.389,0.64,0.998,0.4204561030772394,0.5933195120279624,0.7089558632033446,0.6483962716743198,0.5927819374957165
EOS-3-27480,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)nc1,JZQKWHSBJAKQPF-UHFFFAOYSA-N,3,1,0.301,70,887,446.478,3.414,6,0.405,0.59,1.0,0.07111404290315948,0.04128401069152217,0.25184188883558356,0.21365910492769516,0.1444747618394901
EOS-3-27481,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cn2)n(C)n1,UEZBHCMEBYGWMM-UHFFFAOYSA-N,3,1,0.533,87,579,430.447,3.051,5,0.408,0.65,1.0,0.5747207182509766,0.5933280789527791,0.27332773627578644,0.22476183949009665,0.4165345932424097
EOS-3-27482,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)nn1C,KOMAAQUSPZELJD-UHFFFAOYSA-N,3,1,0.461,92,105,421.852,2.553,5,0.429,0.65,1.0,0.16758618326365568,0.22253443903776302,0.11176410115824824,0.1335155232677678,0.1588500616818587
EOS-3-27483,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)nc5)cn4)n23)s1,QDHXKNRVIVRBGK-UHFFFAOYSA-N,3,1,0.385,7,535,449.431,1.917,5,0.384,0.63,0.925,0.41804023027893905,0.2122112946336783,0.09397916523884586,0.06172469330409156,0.1964888458638887
EOS-3-27484,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cnc(F)cn5)cc4F)n23)nc1,HCAVLDMKWJRZSK-UHFFFAOYSA-N,3,1,0.359,85,647,476.422,3.011,5,0.415,0.62,0.774,0.24492838050853266,0.3142690699746419,0.6689311904598725,0.6040710026728805,0.45804991090398184
EOS-3-27485,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(C)cn5)n34)ccn2)c(F)c1,CQCZZHWOYDLOOL-UHFFFAOYSA-N,3,1,0.511,75,661,441.47,4.021,5,0.393,0.68,1.0,0.7464704269755329,0.6452350764169693,0.5094064834487012,0.4483414433554931,0.5873633575491741
EOS-3-27486,Clc1ncc(-c2cnc(COc3cncc4nnc(-c5cnccn5)n34)nc2)s1,VCZYEVOSCCHJIV-UHFFFAOYSA-N,3,1,0.391,51,48,423.849,2.727,5,0.42,0.66,1.0,0.43183297923377423,0.49497978205743265,0.11177266808306491,0.13352409019258446,0.29302737989171407
EOS-3-27487,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5cncn5)cn4)n23)cn1,CZAXCJYFKSOGEG-UHFFFAOYSA-N,3,1,0.43,80,816,451.454,2.142,6,0.374,0.62,1.0,0.2877972722911384,0.17187821259680625,0.14108868480570214,0.09618086491672949,0.17423625865259407
EOS-3-27488,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C(F)F)nn5)cc4F)n23)cn1,CDNIYJPEJHYTGP-UHFFFAOYSA-N,3,1,0.352,96,204,476.422,3.747,5,0.411,0.68,0.993,0.3011445411555068,0.3910115824823521,0.7168031663354122,0.6249828661503667,0.5084855390309094
EOS-3-27489,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)s1,HYDOBPFVOUYLJW-UHFFFAOYSA-N,3,1,0.297,76,368,436.504,4.377,6,0.408,0.7,1.0,0.1027259954766637,0.11338324994859846,0.25185045576040027,0.26356144198478515,0.1828802857926119
EOS-3-27490,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)s1,CSSDPVVCVGYSRA-UHFFFAOYSA-N,3,1,0.316,76,687,436.504,4.377,6,0.408,0.7,0.999,0.07681104790624357,0.08159995887876088,0.2481581111644164,0.2635700089096018,0.16753478171475567
EOS-3-27491,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)c(Cl)cn1,DFHTWMJJPWPAAN-UHFFFAOYSA-N,3,1,0.634,11,429,446.873,4.662,5,0.377,0.73,1.0,0.9037934343088205,0.9057552600918375,0.794745048317456,0.8343842094441779,0.859669488040573
EOS-3-27492,Cc1ccc(-c2nnc3cncc(OCc4cccc(F)c4-c4ncc(Cl)cn4)n23)cn1,PQGBZGCJXWOMGM-UHFFFAOYSA-N,3,1,0.494,73,82,447.861,4.323,5,0.396,0.71,1.0,0.8957062572818861,0.8941813446645193,0.6525083955863203,0.6596960455075046,0.7755230107600576
EOS-3-27493,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)o1,UFZBZJWQOKIIOX-UHFFFAOYSA-N,3,1,0.256,70,813,423.44,3.247,6,0.429,0.64,1.0,0.025186758961003357,0.013518607360701802,0.1950774450003427,0.15800836131862106,0.09794779316016722
EOS-3-27494,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)c(F)n1,LEPSOPHYMRAMHB-UHFFFAOYSA-N,3,1,0.494,97,55,417.379,3.501,5,0.404,0.74,1.0,0.8117246933040916,0.6795541772325406,0.7637670481803852,0.7218919196765129,0.7442344595983826
EOS-3-27495,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)cc2)nn1,FZJDCWQMGRVPAN-UHFFFAOYSA-N,3,1,0.272,42,339,434.488,4.434,6,0.405,0.69,1.0,0.065065793982592,0.06738743060790899,0.5197981632513193,0.5575697347680076,0.30245528065245697
EOS-3-27496,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccn4)n23)c(F)n1,DTAYYCXDCLYZMG-UHFFFAOYSA-N,3,1,0.477,97,560,430.418,4.414,5,0.384,0.76,1.0,0.769883832499486,0.6648276334726887,0.8352494688506613,0.8121444726201082,0.7705263518607361
EOS-3-27497,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nn5)cc4)n23)cc1Cl,BQSVPTRXCRGANZ-UHFFFAOYSA-N,3,1,0.379,14,319,430.874,4.94,5,0.404,0.77,1.0,0.5247070111712699,0.5684154615859092,0.8770646288808169,0.8934788568295524,0.715916489616887
EOS-3-27498,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)cc1Cl,HUCWSAPFHGHHBP-UHFFFAOYSA-N,3,1,0.571,1,666,432.846,4.62,5,0.403,0.71,1.0,0.6828096086628743,0.7458450414639161,0.8417089301624289,0.8563326708244808,0.7816740627784251
EOS-3-27499,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)c1,QUHXVNMOCLRTFS-UHFFFAOYSA-N,3,1,0.471,20,475,433.863,2.652,5,0.402,0.61,1.0,0.48175245014049756,0.5130645603454184,0.19508601192515934,0.2247704064149133,0.35366835720649714
EOS-3-27500,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c1F,KOIWHZOMXNNBDZ-UHFFFAOYSA-N,3,1,0.568,35,265,431.406,3.543,5,0.406,0.61,1.0,0.9436981701048591,0.9178089233088891,0.7637756151052019,0.7354619285861147,0.8401861592762662
EOS-3-27501,c1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cncs6)cn5)n34)n2)nc1,HXGLXAJNNGLXML-UHFFFAOYSA-N,3,1,0.337,70,957,436.464,3.224,6,0.41,0.6,0.7,0.03768590226852169,0.09439037763004592,0.11486532794188198,0.14994688506613665,0.09922212322664656
EOS-3-27502,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)c4)n23)cc1,BPZSXSKQLGTQIN-UHFFFAOYSA-N,3,1,0.524,36,734,434.41,3.498,5,0.404,0.63,1.0,0.7129566170927284,0.5359125488314714,0.6909481872387088,0.5703944212185594,0.627552943595367
EOS-3-27503,Cn1cncc1-c1cc(C#N)cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)c1,VOAFFUSXXUBQTF-UHFFFAOYSA-N,3,1,0.527,26,669,440.442,3.219,5,0.373,0.67,1.0,0.8322082105407443,0.6074035364265643,0.7400795010622987,0.6684685765197724,0.7120399561373449
EOS-3-27504,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5nc(Cl)n(C)n5)cc4)n23)cn1,HGVQCTMYDRTWGC-UHFFFAOYSA-N,3,1,0.38,14,740,416.876,3.534,5,0.445,0.75,1.0,0.2795730244671373,0.34349941744911244,0.2733363032006031,0.2868720444109383,0.29582019738194776
EOS-3-27505,Cn1ncc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c1-c1ccc(F)cc1,DEYQCAOXMKBOSO-UHFFFAOYSA-N,3,1,0.368,9,38,448.465,4.455,6,0.396,0.68,1.0,0.15399904050442054,0.26318449729285176,0.7041926530052772,0.7458793091631828,0.46681387499143306
EOS-3-27506,Cc1nccc(CCOc2cncc3nnc(-c4csc(-c5cn(C)nn5)c4)n23)c1F,SGKSIGDWKYJLJC-UHFFFAOYSA-N,3,1,0.48,65,779,436.476,3.112,5,0.403,0.65,1.0,0.3620896443012816,0.30918031663354123,0.23032177369611403,0.19324412308957575,0.27370896443012815
EOS-3-27508,CCn1nc(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC)nc5)n34)c(C)c2)c1C,PAEABTZRIDXSLQ-UHFFFAOYSA-N,3,1,0.304,82,336,466.549,4.022,5,0.42,0.69,1.0,0.0669590843670756,0.10387396340209719,0.09881947776026317,0.04253478171475567,0.07804682681104791
EOS-3-27509,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)nc4)n23)cc1,JCSYPFUHOJYLGM-UHFFFAOYSA-N,3,1,0.379,14,740,408.425,2.333,5,0.473,0.85,1.0,0.16494757042012198,0.031629086423137553,0.2733448701254198,0.2047323692687273,0.16866347405935167
EOS-3-27510,Cn1cnnc1-c1ncc(-c2nnc3cncc(-c4cncc(-c5cocn5)c4)n23)cn1,NKOCQPZPMRFSSX-UHFFFAOYSA-N,3,1,0.253,86,780,423.4,2.094,6,0.414,0.62,1.0,0.12081077376464944,0.031637653347954216,0.05883763964087451,0.07004317730107601,0.07033231101363854
EOS-3-27511,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)o1,VBISMADTYWEZQV-UHFFFAOYSA-N,3,1,0.245,99,601,423.4,2.094,6,0.414,0.65,0.939,0.025195325885820026,0.031646220272770885,0.0710283736549928,0.09030395449249537,0.05454346857651977
EOS-3-27512,Cc1nc(-c2cncn2C)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,KPWJTYLOECGCSL-UHFFFAOYSA-N,3,1,0.412,31,330,447.89,2.96,5,0.365,0.66,1.0,0.4619542868891783,0.35294873552189704,0.19509457884997602,0.19325269001439244,0.300812572818861
EOS-3-27513,COc1cc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)ccc1-c1nccs1,ZDWLMRZXIYFNNF-UHFFFAOYSA-N,3,1,0.468,4,224,453.915,3.889,5,0.385,0.71,1.0,0.3982849016517031,0.5543057364128572,0.3212168460009595,0.25138784182030016,0.381298831471455
EOS-3-27514,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nc2C)cs1,HSCYTEFOEYSQDJ-UHFFFAOYSA-N,3,1,0.471,49,690,429.509,3.943,5,0.404,0.73,1.0,0.4574566513604277,0.3242581043108766,0.162523130697005,0.11815502707148243,0.2655982283599479
EOS-3-27515,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cc4Cl)n23)cc1,VRPOTBQBLQZXNY-UHFFFAOYSA-N,3,1,0.562,73,401,450.289,4.529,5,0.389,0.71,1.0,0.792526214789939,0.9120433829072716,0.7400880679871154,0.8165821396751423,0.815309951339867
EOS-3-27516,Cc1cnc(-c2nnc3cncc(-c4cnc(-c5cc(F)c(F)nc5F)cn4)n23)cn1,XDIYIVNCFXEYEK-UHFFFAOYSA-N,3,1,0.291,50,845,421.346,2.826,5,0.409,0.64,0.999,0.29608148858885613,0.362389486669865,0.5331625659653211,0.5311921732574875,0.43070642862038244
EOS-3-27517,COc1cc(F)ccc1COc1cncc2nnc(-c3ccc(-c4nc(C)n(C)n4)c(F)c3)n12,IYGQVHFIHQAWPG-UHFFFAOYSA-N,3,1,0.522,43,718,463.448,3.761,5,0.379,0.7,1.0,0.6089884175176479,0.6306627373038174,0.5701117126996094,0.4639161126721952,0.5684197450483175
EOS-3-27518,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)c(F)c2)n1,WYAWZZKZZJEXFL-UHFFFAOYSA-N,3,1,0.361,3,615,468.431,3.384,6,0.387,0.64,1.0,0.2396511548214653,0.34350798437392915,0.4678740319374957,0.5605767253786581,0.40290247412788704
EOS-3-27519,Cc1ccc(-c2cc(-c3nnc4cncc(COCc5ccc(Cl)nc5)n34)ncn2)nn1,OOLIEQOFMRZSPG-UHFFFAOYSA-N,3,1,0.362,85,60,445.874,3.112,5,0.363,0.69,0.485,0.30380028784867386,0.21712014255362894,0.2810294016859708,0.29307449797820573,0.2737560825166198
EOS-3-27520,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccnc(C(F)F)c4)n23)c1,DIYLOJYVPXSZFT-UHFFFAOYSA-N,3,1,0.483,27,55,433.422,4.103,5,0.401,0.69,1.0,0.5922058118017957,0.4373243780412583,0.8530087039956137,0.7432406963196491,0.6564448975395792
EOS-3-27521,c1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)ncn1,LOZKUNZPYVOMEO-UHFFFAOYSA-N,3,1,0.404,80,584,450.426,1.797,6,0.394,0.59,1.0,0.42046467000205606,0.3720529778630663,0.0917089301624289,0.07005174422589268,0.23856958056336097
EOS-3-27522,COc1ccc(-c2nnc3cncc(-c4cc(Cl)cc(-c5ccnnc5)c4)n23)cn1,ITSWDFMYEZGMEJ-UHFFFAOYSA-N,3,1,0.322,96,478,415.844,3.972,5,0.438,0.76,1.0,0.3527002947022137,0.48553046398464805,0.727357617709547,0.7085275169625112,0.56852897333973
EOS-3-27523,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cn5)c4)n23)n(C)n1,VDJUBNUGLGOYKV-UHFFFAOYSA-N,3,1,0.483,24,486,432.875,3.523,5,0.419,0.64,1.0,0.43184154615859094,0.46374477417586185,0.31367795216229183,0.30222397368240694,0.3778720615447879
EOS-3-27524,Cc1ncncc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cn4)n23)cn1,KBJWIMBXMAAYFV-UHFFFAOYSA-N,3,1,0.298,94,392,461.464,4.215,6,0.384,0.7,0.967,0.25821568089918445,0.36239805359468164,0.4745048317455966,0.47015283393872936,0.391317850044548
EOS-3-27525,Cc1cncc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)c1,LPMDYPARJQXPCS-UHFFFAOYSA-N,3,1,0.453,7,69,446.421,3.863,5,0.387,0.67,1.0,0.6646562949763553,0.6121924473990816,0.6663439791652388,0.5475721335069563,0.6226912137619081
EOS-3-27526,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cn2)[nH]c1F,XRKBHHUNTUSICK-UHFFFAOYSA-N,3,1,0.51,65,981,434.41,3.18,5,0.437,0.65,1.0,0.6551127407305873,0.6697279144678226,0.4851021177438147,0.45141696936467685,0.5653399355767253
EOS-3-27527,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c(F)c2)n(CC#N)n1,JMFYKQUJSCSTAS-UHFFFAOYSA-N,3,1,0.357,61,124,460.423,4.626,5,0.38,0.79,1.0,0.3240353642656432,0.45495510931396066,0.8352580357754781,0.8423428825988624,0.6141478479884861
EOS-3-27528,FC(F)n1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)cn1,KMZRAYVBLRIMHB-UHFFFAOYSA-N,3,1,0.451,65,262,435.398,2.856,5,0.384,0.63,1.0,0.4645586320334453,0.437332944966075,0.3919882119114523,0.3087776711671578,0.4006643650195326
EOS-3-27529,Cc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)c(Cl)c5)n(C)n4)n23)n1,WYTHLTCGYFMQJX-UHFFFAOYSA-N,3,1,0.404,95,998,467.32,4.176,5,0.383,0.76,1.0,0.41125522582413815,0.47233739976697964,0.4395003769446919,0.5075731615379343,0.45766654101843596
EOS-3-27530,N#Cc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)nn1,BZHKVUKMYWCFMG-UHFFFAOYSA-N,3,1,0.489,16,772,459.832,3.281,5,0.363,0.7,1.0,0.8772873689260503,0.9533445274484271,0.680059625796724,0.7140788842437119,0.8061926016037283
EOS-3-27531,Cn1ncc(-c2cccc(-c3nnc4cncc(CCc5ccc(Cl)nc5)n34)c2)cc1=O,WLNLOEOSSHJKCX-UHFFFAOYSA-N,3,1,0.366,14,470,443.898,3.386,5,0.387,0.73,1.0,0.25544856418340073,0.27345624014803643,0.45007196216846,0.5043948324309506,0.37084289973271195
EOS-3-27532,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncc(C(F)F)cn4)n23)c(F)c1,MPGGEAFAEHCTCV-UHFFFAOYSA-N,3,1,0.444,51,79,453.388,3.033,5,0.386,0.63,1.0,0.49169008292783223,0.5784644643958604,0.6636967993968885,0.6073435679528476,0.5852987286683572
EOS-3-27533,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)cc5)n34)n[nH]2)cn1,QSJNGASEOWKZNG-UHFFFAOYSA-N,3,1,0.298,9,725,436.414,3.235,6,0.418,0.62,1.0,0.16759475018847234,0.3286015351929272,0.45008052909327667,0.4943886642450826,0.3601663696799397
EOS-3-27534,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)cc1-c1cccnn1,LYNVMRGWEHZSTI-UHFFFAOYSA-N,3,1,0.422,53,602,445.418,2.202,5,0.368,0.63,0.999,0.5477777397025564,0.5450620245356727,0.15309951339867042,0.11816359399629908,0.3410257179082996
EOS-3-27535,Fc1cccc(CCOc2cncc3nnc(-c4cnc(-c5ncccc5F)cc4F)n23)n1,FQYHADYHYKDPSK-UHFFFAOYSA-N,3,1,0.474,11,639,449.396,3.682,5,0.365,0.69,1.0,0.8644626824754986,0.8520834761154136,0.6689397573846891,0.6947005003084092,0.7700466040710026
EOS-3-27536,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)cn2)cn1,QVMBPPFTHVRUIA-UHFFFAOYSA-N,3,1,0.6,59,232,447.861,4.323,5,0.396,0.68,1.0,0.930342334315674,0.9591443355493112,0.7427352477554657,0.7458878760879994,0.8445274484271126
EOS-3-27537,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cccnn1,SQVGREZDSMONFB-UHFFFAOYSA-N,3,1,0.421,53,569,433.863,2.652,5,0.402,0.64,0.96,0.43397471043794117,0.36240662051949835,0.1689654581591392,0.2220546912480296,0.29685037009115206
EOS-3-27538,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(C)c(F)c5)n34)cc2F)n(C)n1,ZDPGYDPIFCUUFA-UHFFFAOYSA-N,3,1,0.325,61,336,417.423,4.149,5,0.441,0.73,1.0,0.24233260228908232,0.3482283599479131,0.732566307998081,0.6917534781714756,0.503720187101638
EOS-3-27539,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cn1,PAKIYSQXXGXONH-UHFFFAOYSA-N,3,1,0.461,55,45,421.371,2.234,5,0.398,0.68,1.0,0.6147368240696319,0.4996830237817833,0.3957576588307861,0.3660818312658488,0.4690648344870125
EOS-3-27540,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)nc(F)c4)n23)cn1,JDZQOOPTTYKEKE-UHFFFAOYSA-N,3,1,0.471,55,45,421.371,2.234,5,0.398,0.68,1.0,0.634337948050168,0.5404187512850387,0.37735590432458366,0.3529059008978137,0.476254626139401
EOS-3-27541,Cn1ccnc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4ccno4)cn3)n12,CWYFXFJJLCFUQE-UHFFFAOYSA-N,3,1,0.266,86,953,422.412,2.699,6,0.421,0.63,0.983,0.06904941402234253,0.02877630045918717,0.0690065793982592,0.08302206839832774,0.06246359056952916
EOS-3-27542,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)c(C)c2)n1,AFFUFJOOUSVFCT-UHFFFAOYSA-N,3,1,0.467,36,677,445.874,3.283,5,0.375,0.67,1.0,0.4992032759920499,0.5979113837296964,0.2195788499760126,0.19580563360975944,0.3781247858268796
EOS-3-27543,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)n5)nn4)n23)nc1,JRBUMPXRWLYFCT-UHFFFAOYSA-N,3,1,0.279,99,312,440.406,1.764,6,0.376,0.62,0.67,0.006005414296484134,0.09738023439106298,0.10137242135563018,0.13353265711740114,0.08457268179014461
EOS-3-27544,Fc1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1,HJDQYHFGMFQYRF-UHFFFAOYSA-N,3,1,0.333,32,693,441.455,3.901,6,0.442,0.62,0.999,0.24493694743334932,0.37706462888081693,0.3175844698786923,0.4134569255020218,0.33826074292372005
EOS-3-27545,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)s1,GJWHFJUTMMHBRN-UHFFFAOYSA-N,3,1,0.507,36,706,424.877,3.797,5,0.433,0.7,1.0,0.5530206976903571,0.722714344458913,0.11782091700363237,0.1794513741347406,0.39325183332191077
EOS-3-27546,Cn1nc(-c2ccnc(F)c2)cc1-c1cncc2nnc(-c3ncncc3-c3ccccc3)n12,KPKYVPDKCMXRJO-UHFFFAOYSA-N,3,1,0.284,30,342,449.453,3.85,6,0.377,0.68,0.166,0.08330477691727778,0.14835343705023646,0.4395089438695086,0.48833184839969845,0.2898747515591803
EOS-3-27547,Cn1nc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)n1C,SVXVYGJSFBWOAR-UHFFFAOYSA-N,3,1,0.582,43,258,421.411,3.388,5,0.435,0.72,1.0,0.655121307655404,0.7966640394763895,0.5599256390925913,0.5671389897882256,0.6447124940031526
EOS-3-27548,Cc1cnc(-c2ncncc2-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cn1,GHKSYCPSTAYLAT-UHFFFAOYSA-N,3,1,0.469,65,304,445.874,3.017,5,0.388,0.6,0.999,0.5862774998286615,0.617058460694949,0.17859468165307382,0.21366767185251181,0.39889957850729907
EOS-3-27549,Cc1nc(-c2cc(F)c(F)c(-c3cncc4nnc(-c5cc(F)c(F)cc5CO)n34)c2)n(C)n1,WNTBLQVWBVXKSZ-UHFFFAOYSA-N,3,1,0.298,45,102,469.402,3.611,5,0.404,0.68,0.852,0.36665581522856555,0.3863169076828182,0.8783925022274005,0.8727211979987664,0.6260216057843877
EOS-3-27550,Cc1ccc(-c2ccnc(-c3nnc4cncc(COc5cncc(Cl)n5)n34)c2)nn1,NPYMUMGCFSBECX-UHFFFAOYSA-N,3,1,0.333,53,920,431.847,2.974,5,0.413,0.59,1.0,0.3267253786580769,0.3770731958056336,0.20911863477486123,0.21057501199369474,0.2808730553080666
EOS-3-27551,CCn1nc(-c2cncn2C)nc1COCc1cncc2nnc(-c3cccc(C)n3)n12,OCESKYPGUCKHMO-UHFFFAOYSA-N,3,1,0.308,31,105,430.476,2.223,5,0.386,0.67,0.992,0.0545027756836406,0.016319991775752177,0.00520012336371736,0.0029898567610170653,0.019753186896031803
EOS-3-27552,COc1cc(F)cc(COc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)n1,ASOWEQJDFBWFOZ-UHFFFAOYSA-N,3,1,0.444,46,160,434.456,4.037,5,0.399,0.69,1.0,0.4793794119662806,0.4680025358097457,0.5367092728394216,0.4545695976972106,0.48466520457816464
EOS-3-27553,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cnc1Cl,IOZBIAFRWHLMSU-UHFFFAOYSA-N,3,1,0.524,97,992,432.846,4.62,5,0.377,0.77,1.0,0.9455657597148928,0.8834041532451511,0.8634517853471317,0.8630491398807484,0.888867709546981
EOS-3-27554,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cn2)nn1,HNHYSXYPNFMRNW-UHFFFAOYSA-N,3,1,0.325,70,887,454.841,3.409,6,0.39,0.62,0.94,0.2554571311082174,0.32426667123569325,0.27335343705023646,0.33048625865259407,0.2958908745116853
EOS-3-27555,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nc2)n1C,QRONLPJLZXZRAD-UHFFFAOYSA-N,3,1,0.375,93,74,462.492,4.763,6,0.375,0.78,1.0,0.2038756767870605,0.3770817627304503,0.49861215817969984,0.5671475567130423,0.4116792886025632
EOS-3-27556,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)ccn2)cn1,CVYMAZQOAJHRBJ-UHFFFAOYSA-N,3,1,0.494,75,99,432.394,3.204,5,0.39,0.64,1.0,0.7698923994243027,0.6122010143238983,0.6171783976423822,0.5276368994585704,0.6317271777122884
EOS-3-27557,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cc2)c1,NVXJAMNMMNRFKO-UHFFFAOYSA-N,3,1,0.324,38,983,419.408,3.36,6,0.423,0.7,1.0,0.2478154341717497,0.12685045576040024,0.31759303680350903,0.3304948255774107,0.2556884380782674
EOS-3-27558,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ncccn4)n23)nnc1OC,ZATYGLMFAJXSFL-UHFFFAOYSA-N,3,1,0.317,31,643,430.432,1.842,5,0.377,0.64,1.0,0.1513175930368035,0.06739599753272565,0.0262404907134535,0.010700089096018094,0.06391354259475018
EOS-3-27559,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1,SHJMNLJWWVPDQD-UHFFFAOYSA-N,3,1,0.385,14,740,413.872,4.196,5,0.439,0.8,1.0,0.34606092796929616,0.37206154478788295,0.559934206017408,0.5980827222260298,0.46903485025015423
EOS-3-27560,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)nc5)cnn4)n23)ccn1,GDCPZGGJEDLJJT-UHFFFAOYSA-N,3,1,0.488,4,534,421.424,2.797,5,0.421,0.66,1.0,0.45746521828524433,0.4147590980741553,0.4607292166403948,0.3691659241998492,0.4255298642999109
EOS-3-27561,Cc1nc(-c2ncccc2-c2nnc3cncc(-c4cnncc4-c4cccnn4)n23)n(C)n1,FXVMLSBNIWMBTL-UHFFFAOYSA-N,3,1,0.259,99,719,448.454,2.204,6,0.394,0.58,1.0,0.042294907819888976,0.01352717428551847,0.030635323144404085,0.03753169762182167,0.0309972757179083
EOS-3-27562,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccnc(F)c6)nn5)n34)cc2)nc1,JOQNWKQCRRODQW-UHFFFAOYSA-N,3,1,0.317,10,115,454.404,3.169,6,0.374,0.63,1.0,0.02986429991090398,0.15223425399218696,0.4950825851552327,0.5241587279830032,0.30033496676033167
EOS-3-27563,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)nnc1Cl,WUUVVJLSTGPUDD-UHFFFAOYSA-N,3,1,0.376,53,411,450.825,2.242,5,0.379,0.59,0.887,0.6521485847440203,0.6503495305325201,0.14109725173051882,0.21640052086902886,0.414998971969022
EOS-3-27564,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3cncc(Cl)n3)n12,FDSNENDJBLJTCR-UHFFFAOYSA-N,3,1,0.419,7,456,449.862,2.618,5,0.385,0.64,0.983,0.4364591186347749,0.410047289424988,0.15940477006373793,0.1204766636967994,0.28159696045507504
EOS-3-27565,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)c(F)c1,GXVZAYONMKNNSY-UHFFFAOYSA-N,3,1,0.467,44,488,417.379,3.501,5,0.432,0.71,0.999,0.6736087314097732,0.5684240285107258,0.7273661846343636,0.732771914193681,0.675542714687136
EOS-3-27566,c1c[nH]c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)cc2)n1,DWUFPBIWYVTMHR-UHFFFAOYSA-N,3,1,0.293,38,787,422.477,4.367,6,0.453,0.73,1.0,0.08331334384209445,0.1561664724830375,0.4640703173188952,0.4607634843396614,0.29107840449592215
EOS-3-27567,CCc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1nc(C)n[nH]1,YYKBIPHDDXFGKZ-UHFFFAOYSA-N,3,1,0.44,31,690,427.472,2.859,5,0.421,0.68,0.999,0.3689089164553492,0.20734528133781097,0.05884620656569118,0.04254334863957234,0.1694109382496059
EOS-3-27568,NC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5cc(F)nc(Cl)c5)n4)n23)cc1F,QPMUFTYEGMJATQ-UHFFFAOYSA-N,3,1,0.345,22,768,465.811,2.736,5,0.4,0.58,1.0,0.2689414707696525,0.3091888835583579,0.519806730176136,0.5830649030224111,0.42025049688163935
EOS-3-27569,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4ncccn4)ccn3)n12,OJALJYRAZGULRY-UHFFFAOYSA-N,3,1,0.462,18,949,448.849,3.452,5,0.389,0.62,1.0,0.8141748338016586,0.7273490507847303,0.512841820300185,0.547580700431773,0.6504866013295867
EOS-3-27570,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cncc(-c4ncccn4)c3)n12,SJLYFWYVDUEWSL-UHFFFAOYSA-N,3,1,0.489,2,131,448.849,3.452,5,0.389,0.62,1.0,0.8395928997327119,0.8205914604893427,0.5632924405455417,0.5890446165444452,0.7031303543280103
EOS-3-27571,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nc1,VACRQOVMAQGRJK-UHFFFAOYSA-N,3,1,0.479,87,307,447.861,4.057,5,0.387,0.66,1.0,0.8141834007264752,0.8245579466794599,0.6748338016585567,0.7246162017682133,0.7595478377081762
EOS-3-27572,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5cncs5)n4)n23)ccc1Cl,YFJPTJKHRFFDFC-UHFFFAOYSA-N,3,1,0.549,73,539,439.863,4.076,5,0.407,0.71,1.0,0.827367898019327,0.9233431567404564,0.5599427729422246,0.6194400657939826,0.7325234733739976
EOS-3-27573,Fc1cc(-c2nsc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)ncn1,DXKJKBDGXDHKTC-UHFFFAOYSA-N,3,1,0.325,86,723,454.454,3.363,6,0.369,0.68,1.0,0.10532177369611405,0.2785278596395038,0.16897402508395587,0.23681550270714824,0.19740979028168051
EOS-3-27574,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5Cl)n34)cn2)n[nH]1,OCQKRISJRGGGSG-UHFFFAOYSA-N,3,1,0.288,98,219,469.9,3.396,6,0.416,0.69,0.909,0.17028476458090605,0.31952059488725926,0.23033034062093072,0.30223254060722365,0.2555920601740799
EOS-3-27575,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)nc2)nc1,DMJLUVRUJNNPNV-UHFFFAOYSA-N,3,1,0.319,42,818,434.488,4.434,6,0.405,0.7,1.0,0.1729576451237064,0.18460009594955795,0.4132170516071551,0.4197878829415393,0.2976406689054897
EOS-3-27576,Cn1nc(-c2nnc3cncc(Oc4ncccc4Cl)n23)cc1-c1ccccc1F,OCBPYYVFPRDVBN-UHFFFAOYSA-N,3,1,0.37,34,616,421.823,4.172,5,0.433,0.74,1.0,0.4297340826536906,0.48553903090946476,0.5828764306764443,0.662754437667055,0.5402259954766637
EOS-3-27577,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cncc(-c4ccncc4)c3)n12,HDCXAWJKWPTQMT-UHFFFAOYSA-N,3,1,0.529,2,419,447.861,4.057,5,0.387,0.67,1.0,0.7841477623192379,0.8167877458707422,0.7884654924268385,0.8034833116304572,0.7982210780618189
EOS-3-27578,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5ncc(F)cc5Cl)n34)c2)o1,GZDLUEWERSJHJI-UHFFFAOYSA-N,3,1,0.376,14,351,436.834,4.521,5,0.4,0.72,1.0,0.6551298745802207,0.6599616201768214,0.6880954012747584,0.6540333082036872,0.6643050510588718
EOS-3-27579,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4nncc(-c5ccsc5)n4)n23)cc1,WTARVRWPUWHYRW-UHFFFAOYSA-N,3,1,0.293,98,882,438.48,3.167,6,0.412,0.59,1.0,0.0479833458981564,0.0747035844013433,0.14110581865533547,0.17945994105955726,0.11081317250359811
EOS-3-27580,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cn5)n34)cc2)cnn1,JQXVXVHEDDGGDI-UHFFFAOYSA-N,3,1,0.286,38,818,417.436,3.7,6,0.466,0.7,1.0,0.10273456240148036,0.10061853197176342,0.5166369679939689,0.5109142622164348,0.3077260811459118
EOS-3-27581,NCCCn1cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)cn1,CVIGZOGVPXFELC-UHFFFAOYSA-N,3,1,0.333,96,336,414.448,3.205,5,0.458,0.81,1.0,0.15680899184428757,0.13344698786923445,0.30278939072030703,0.4069032280172709,0.24998714961277496
EOS-3-27582,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)n1,KOGOPDBRKIBMAL-UHFFFAOYSA-N,3,1,0.472,92,860,440.439,3.789,5,0.396,0.7,1.0,0.3483568638201631,0.4460797752038928,0.42467959701185665,0.32099410595572614,0.3850275854979097
EOS-3-27583,Fc1cccnc1-c1cnnc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,PFMCOTIITBGDQK-UHFFFAOYSA-N,3,1,0.435,59,910,435.369,3.64,5,0.416,0.6,1.0,0.6888921252827085,0.6697364813926393,0.8431995750805291,0.8598022753752314,0.765407614282777
EOS-3-27584,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)s2)n1,DAFKIUCIBYHGHL-UHFFFAOYSA-N,3,1,0.684,27,996,455.45,3.829,5,0.368,0.71,1.0,0.47687786991981357,0.669745048317456,0.5923685833733123,0.507581728462751,0.5616433075183332
EOS-3-27585,Fc1ccc(-n2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)cc1,ZZYUKTJNWWMAJN-UHFFFAOYSA-N,3,1,0.611,27,69,438.373,3.423,5,0.401,0.66,1.0,0.18170447536152423,0.4282777054348571,0.7500514015489,0.7140874511685286,0.5185302583784525
EOS-3-27586,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3occc3-c3cccnc3F)n12,GTURESDHJZTRBZ-UHFFFAOYSA-N,3,1,0.347,52,582,470.464,4.153,6,0.372,0.8,1.0,0.39409567541635254,0.3482369268727298,0.38834726886436843,0.3755654170379001,0.37656132204783777
EOS-3-27587,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1Cl,QOGDNWVORVQBSW-UHFFFAOYSA-N,3,1,0.549,16,353,452.305,4.473,5,0.366,0.74,1.0,0.7699009663491193,0.6940922486464258,0.7500599684737167,0.7760091837434034,0.7475155918031663
EOS-3-27588,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)nnc1Cl,LCEFBZAZOWJWOR-UHFFFAOYSA-N,3,1,0.43,87,838,449.837,2.847,5,0.385,0.6,1.0,0.6858765677472415,0.7458536083887328,0.3357463504900281,0.40691179494208757,0.5435970803920225
EOS-3-27589,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)n4)n23)nn1,AETKZQBPHPVTPP-UHFFFAOYSA-N,3,1,0.413,46,587,433.382,2.599,5,0.386,0.63,1.0,0.595109999314646,0.5130731272702351,0.23731238434651497,0.22477897333972996,0.39256862106778156
EOS-3-27590,COc1ncncc1-c1cncc2nnc(-c3cc(F)cnc3-c3ccnc(C)n3)n12,AKKUVAFLRNOOME-UHFFFAOYSA-N,3,1,0.281,50,489,415.392,2.556,5,0.436,0.72,0.998,0.4692361729833459,0.45923857172229454,0.17860324857789048,0.1450980056199027,0.31304399972585845
EOS-3-27591,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnc(Cl)nc5)n4)n23)cn1,MFSWJWMCOBXVEZ-UHFFFAOYSA-N,3,1,0.283,99,286,458.837,1.068,6,0.348,0.67,0.976,0.02110890274826948,0.15617503940785415,0.011967993968884929,0.01856452607771914,0.051954115550681926
EOS-3-27592,Cc1nccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ncccc5F)c4)n23)n1,WLZULVOUOJCIIK-UHFFFAOYSA-N,3,1,0.489,24,486,448.849,3.718,5,0.375,0.65,0.996,0.6977331916935097,0.6697536152422726,0.4429785484202591,0.4514255362894935,0.5654727229113837
EOS-3-27593,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ccnc(F)c5)n4)n23)cc1,GXPDUDYTTSHCIG-UHFFFAOYSA-N,3,1,0.3,8,42,438.43,3.178,6,0.42,0.62,1.0,0.22036700705914605,0.2991827153724899,0.3248063874991433,0.3369714207388116,0.29533188266739774
EOS-3-27594,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnnc5)n34)ccn2)cc(C)n1,IAWLHQAZFWBCHC-UHFFFAOYSA-N,3,1,0.524,75,661,424.468,3.277,5,0.409,0.63,1.0,0.6736172983345898,0.36742683846206564,0.3176016037283257,0.22206325817284628,0.39517724967445683
EOS-3-27595,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(C(F)F)nc3)n12,XYSYFQMCTMSBRG-UHFFFAOYSA-N,3,1,0.517,1,666,448.408,4.904,5,0.368,0.81,1.0,0.9303509012404907,0.9057638270166541,0.9376584881091083,0.9025255294359537,0.9190746864505517
EOS-3-27596,Cc1cnc(COc2cncc3nnc(-c4cnc(-c5cccnc5F)nc4)n23)c(C)n1,CDXUAUDMFVXOQR-UHFFFAOYSA-N,3,1,0.477,7,535,429.419,2.768,5,0.389,0.65,1.0,0.5554280035638407,0.5175193612500857,0.1092197244876979,0.08831642793502845,0.3176208793091631
EOS-3-27597,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2C)nc1,RYVNSUASZVBAJO-UHFFFAOYSA-N,3,1,0.385,51,924,445.874,3.283,5,0.401,0.6,0.997,0.5892673565896785,0.5359211157562881,0.1039510657254472,0.10237475155918031,0.33287857240764857
EOS-3-27598,C#Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4)n23)cn1,VKTQPAFSUSTGNT-UHFFFAOYSA-N,3,1,0.55,15,684,439.504,3.616,5,0.373,0.68,1.0,0.7981118497704064,0.6554468507984373,0.2733620039750531,0.1985299157014598,0.48136265506133913
EOS-3-27599,Cn1nc(Cl)cc1-c1ncccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ZCHDVWDSJXTIEY-UHFFFAOYSA-N,3,1,0.62,43,32,452.305,4.473,5,0.391,0.7,1.0,0.798120416695223,0.8128812281543417,0.6052532382975807,0.694709067233226,0.7277409875950929
EOS-3-27600,Cc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)c1,WLWULUKLDUPZSK-UHFFFAOYSA-N,3,1,0.433,18,181,427.443,3.712,5,0.408,0.65,1.0,0.6089969844424645,0.5175279281749023,0.47451339867041326,0.4419076828181756,0.510736498526489
EOS-3-27601,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)s2)n1C,MIVNDUOSQDYXMI-UHFFFAOYSA-N,3,1,0.329,85,60,446.54,3.17,5,0.442,0.6,0.973,0.1208193406894661,0.15224282091700364,0.10922829141251457,0.04130114454115551,0.10589789939003495
EOS-3-27602,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3ccnc(-c4nnn(-c5ccccn5)n4)c3)n12,GFVWUPNMNMAAPG-UHFFFAOYSA-N,3,1,0.347,10,952,470.859,3.684,6,0.383,0.68,1.0,0.03934788568295525,0.37709032965526695,0.35473065588376396,0.5044033993557673,0.31889306764443837
EOS-3-27603,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(F)cc5)c4)n23)cc1,GHUYPSIHFKHHPU-UHFFFAOYSA-N,3,1,0.37,83,472,449.489,5.157,6,0.403,0.79,1.0,0.33668014529504486,0.34824549379754643,0.6990096634911932,0.7901617435405387,0.5435242615310808
EOS-3-27604,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,WADRYPWFXMXMLE-UHFFFAOYSA-N,3,1,0.452,18,157,447.861,4.057,5,0.362,0.7,1.0,0.7727366184634363,0.780044205332054,0.7451682544033994,0.7664313617983689,0.7660951099993146
EOS-3-27605,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cccnn1,GUGXCMWYWZBWDY-UHFFFAOYSA-N,3,1,0.57,72,595,447.861,4.057,5,0.362,0.7,1.0,0.9582448084435611,0.9591529024741279,0.7613683092317182,0.7853471317935714,0.8660282879857446
EOS-3-27606,CCn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)nc1,KPKSPLFOOJBQCE-UHFFFAOYSA-N,3,1,0.301,86,812,448.494,3.532,6,0.397,0.63,1.0,0.1513261599616202,0.05585634980467411,0.13799602494688507,0.11107874717291481,0.11406432047152355
EOS-3-27607,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)nc1,HDTQAFHFVFZUEG-UHFFFAOYSA-N,3,1,0.439,51,930,451.372,3.089,5,0.384,0.63,0.997,0.7160407100267288,0.8282931258995271,0.48511068466863133,0.42613597423069016,0.6138951237063943
EOS-3-27608,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)nc1,FXXMUNSQCCOEGV-UHFFFAOYSA-N,3,1,0.456,7,535,451.372,3.089,5,0.384,0.63,1.0,0.7038928106366938,0.7966726064012062,0.5536460832019738,0.47617538208484683,0.6325967205811802
EOS-3-27609,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,PDWDDQMUZRYCQH-UHFFFAOYSA-N,3,1,0.315,32,727,448.446,3.974,6,0.386,0.67,0.998,0.32931258995271057,0.14836200397505311,0.4280463984648071,0.34329381125351244,0.3122537009115208
EOS-3-27610,CCc1nc(-c2cncn2C)cc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)n1,BNVXEAJCNDPULQ-UHFFFAOYSA-N,3,1,0.374,50,155,434.866,4.004,5,0.425,0.67,1.0,0.3666643821533822,0.42828627235967376,0.45387567678706053,0.5210146665752862,0.44246024946885065
EOS-3-27611,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1F,GFULRSNVSJOWBP-UHFFFAOYSA-N,3,1,0.547,4,79,420.383,2.839,5,0.431,0.66,1.0,0.4717120142553629,0.5450705914604893,0.6201082859296827,0.6194486327187992,0.5640848810910836
EOS-3-27612,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,UNJKGHMBVSBJTR-UHFFFAOYSA-N,3,1,0.325,9,340,440.854,4.552,6,0.428,0.65,1.0,0.24234116921389898,0.4239428414776232,0.6935696662326092,0.7380919745048318,0.5244864128572408
EOS-3-27613,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnco6)ncn5)n34)cc2)nn1,TWJNVZJLXJCSRD-UHFFFAOYSA-N,3,1,0.3,98,63,423.4,2.094,6,0.414,0.61,1.0,0.06507436090740867,0.031654787197587554,0.1064783085463642,0.1065040093208142,0.07742786649304366
EOS-3-27614,CCn1c(-c2cccc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)nc(C)c1C,FJQPOBFPCITDIN-UHFFFAOYSA-N,3,1,0.494,15,921,440.511,3.703,5,0.381,0.71,1.0,0.3115790555822082,0.16768041943663903,0.03854259475018847,0.025657939825920087,0.13586500239873897
EOS-3-27615,Cn1cncc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)c(F)c1,KDUQHULWNOFVER-UHFFFAOYSA-N,3,1,0.455,67,722,467.468,3.919,6,0.379,0.71,1.0,0.5247155780960866,0.5730930025358097,0.570120279624426,0.5008309917072168,0.5421899629908848
EOS-3-27616,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1,WGBHRNMBOQGQRI-UHFFFAOYSA-N,3,1,0.506,59,630,448.408,4.553,5,0.367,0.76,1.0,0.877295935850867,0.8726012610513331,0.9327839078884244,0.9025340963607703,0.8963038002878487
EOS-3-27617,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)c4)n23)cn1,RLFFFKJHZWYTHZ-UHFFFAOYSA-N,3,1,0.441,27,69,432.394,3.555,5,0.401,0.64,0.999,0.74951168528545,0.6697621821670893,0.7065656911794942,0.6040795695976973,0.6824797820574326
EOS-3-27618,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nccnc4-c4cccnc4)n23)cc1,DNUSBYADJFBTGA-UHFFFAOYSA-N,3,1,0.473,56,415,462.477,3.018,6,0.367,0.64,1.0,0.4251764786512234,0.23242067027619764,0.17215235419093963,0.155172709204304,0.2462305530806662
EOS-3-27619,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ncc(C)nn5)cn4)n23)nn1,OIFLVYVYCVWCKY-UHFFFAOYSA-N,3,1,0.456,53,587,430.407,2.163,5,0.409,0.59,1.0,0.47172058118017957,0.5042748954835172,0.08695428688917826,0.08130868343499417,0.2860646117469673
EOS-3-27620,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccnnc4-c4cccc(F)c4)n23)n1,PPFNZLNWDHNPNN-UHFFFAOYSA-N,3,1,0.326,76,746,451.429,2.64,6,0.398,0.58,1.0,0.07912411760674389,0.22254300596257967,0.12059660064423275,0.21909053526146255,0.1603385648687547
EOS-3-27621,FC(F)c1cnc(COc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)cn1,WVYFQQHDMPKURD-UHFFFAOYSA-N,3,1,0.518,27,343,432.394,3.555,5,0.401,0.65,1.0,0.5554365704886574,0.5637636214104585,0.5166455349187855,0.4384723459666918,0.5185795181961483
EOS-3-27622,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5nnco5)c4)n23)nc1,PTFUXPWOHUCLFI-UHFFFAOYSA-N,3,1,0.26,70,652,422.412,2.699,6,0.421,0.62,1.0,0.12082790761428278,0.03166335412240422,0.13800459187170172,0.13143376053731753,0.10548240353642656
EOS-3-27624,CCc1ncc(-c2cnn(C)c2)cc1COc1cncc2nnc(-c3ccc(C(=O)NC)cn3)n12,QGIOOFAOODLCBS-UHFFFAOYSA-N,3,1,0.373,33,53,469.509,2.483,5,0.385,0.66,1.0,0.2203755739839627,0.05975430059625797,0.1380131587965184,0.0477434720032897,0.1164716263450072
EOS-3-27625,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4F)nn3)n12,MLLLRDBATHPTFL-UHFFFAOYSA-N,3,1,0.455,54,411,432.394,2.938,5,0.377,0.65,0.916,0.8011531080803235,0.7181139058323625,0.46073778356521145,0.47330546227126313,0.61332756493729
EOS-3-27626,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnc2F)ccn1,FLQLFEVXALXAKT-UHFFFAOYSA-N,3,1,0.473,87,822,432.394,2.938,5,0.377,0.65,1.0,0.7869234459598382,0.727357617709547,0.5701288465492427,0.5508189980124735,0.6588072270577754
EOS-3-27627,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnn5)nn4)n23)s1,HDZBYQNCGXVEGO-UHFFFAOYSA-N,3,1,0.32,53,60,469.534,2.777,6,0.386,0.64,0.997,0.03244294428072099,0.0028356521143170447,0.007590295387567679,0.01352717428551847,0.014099016517031045
EOS-3-27628,N#Cc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc1Cl,DACJZDNRFQAWMX-UHFFFAOYSA-N,3,1,0.564,90,555,415.215,4.083,4,0.499,0.72,1.0,0.9559060379686107,0.9591614693989445,0.9694503461037626,0.9783085463641971,0.9657065999588788
EOS-3-27629,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5ccncn5)cn4)n23)c1,SPYPXNSMWHAWDH-UHFFFAOYSA-N,3,1,0.325,39,449,464.88,3.816,6,0.383,0.66,1.0,0.19840997875402647,0.237517990542115,0.29190939620313894,0.41654958536083886,0.28609673771502986
EOS-3-27630,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)n(C)n1,KIVUUVGNCULSJG-UHFFFAOYSA-N,3,1,0.284,9,727,433.479,3.952,6,0.452,0.64,1.0,0.11842916866561579,0.11041052703721473,0.37355218970598314,0.34642930573641284,0.23720529778630664
EOS-3-27631,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccc(F)n5)cn4)n23)cc1,NJRAFXIDMABBKL-UHFFFAOYSA-N,3,1,0.321,38,42,449.453,3.85,6,0.377,0.66,1.0,0.28780583921595504,0.28368514837913783,0.4500890960180933,0.42928860256322393,0.36271717154410255
EOS-3-27632,CC(O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)cn1,QVGMVJVHOMPPGJ-UHFFFAOYSA-N,3,1,0.575,68,127,417.351,2.627,4,0.528,0.62,1.0,0.6521571516688369,0.7227229113837297,0.897796586937153,0.6714584332807896,0.7360337708176272
EOS-3-27633,Fc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)c1,OYQPPSMQHXXPOX-UHFFFAOYSA-N,3,1,0.495,87,307,431.406,3.543,5,0.406,0.64,1.0,0.8141919676512919,0.7227314783085463,0.6410201494071688,0.6568089918442875,0.7086881468028237
EOS-3-27634,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nn5)c4)n23)ccn1,CZBIMPMYIJDEGS-UHFFFAOYSA-N,3,1,0.477,24,565,451.277,3.924,5,0.371,0.68,1.0,0.6708073469947228,0.6745082585155233,0.6110444794736481,0.6684771434445891,0.6562093071071209
EOS-3-27635,Cc1ccc(-c2nnc3cncc(CCc4cc(-c5nncs5)cc(F)c4C)n23)cn1,JWEHVMUFJUNPDU-UHFFFAOYSA-N,3,1,0.349,14,487,431.5,4.246,5,0.414,0.7,0.99,0.29338290727160576,0.42395140840243983,0.4246881639366733,0.39763381536563636,0.3849140737440888
EOS-3-27636,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnn6)nc5)n34)nc2)n1,WBQRCIUWTPHEQD-UHFFFAOYSA-N,3,1,0.261,99,286,435.415,1.291,6,0.394,0.6,1.0,0.08801658556644507,0.04843739291343979,0.020312178740319375,0.019849564800219315,0.04415393050510589
EOS-3-27637,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cnccn6)nc5)n34)nc2)n1,ASBJMYAZHQNMOU-UHFFFAOYSA-N,3,1,0.288,86,780,435.415,1.291,6,0.394,0.6,1.0,0.07913268453156055,0.05203550133644027,0.022111232951819614,0.02061202110890275,0.0434728599821808
EOS-3-27638,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nc2)cn1,JSELBUSYYDSRLU-UHFFFAOYSA-N,3,1,0.423,18,954,432.394,2.938,5,0.377,0.64,0.994,0.6889006922075251,0.6992495373860599,0.45009766294291004,0.43250119936947434,0.5676872729764924
EOS-3-27639,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cc(F)ccc6F)n5)n34)cc2)n1,FWWJKDCAYKHDLZ-UHFFFAOYSA-N,3,1,0.307,3,973,468.431,3.478,6,0.387,0.65,0.997,0.07487492289767665,0.30416866561579053,0.3773644712494003,0.45457816462202727,0.3027465560962237
EOS-3-27642,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)n5)n34)nc2)nc1,VCLNKNSWLMKLJZ-UHFFFAOYSA-N,3,1,0.406,51,775,469.362,3.17,5,0.358,0.7,1.0,0.7006630799808101,0.7546347063258173,0.6826982386402577,0.5008395586320334,0.6597088958947297
EOS-3-27643,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1Cl,DWEPZTGHOVVTEK-UHFFFAOYSA-N,3,1,0.705,91,70,466.332,4.515,5,0.366,0.77,1.0,0.7552429579878007,0.8128897950791584,0.6637053663217052,0.7535381399492838,0.746344064834487
EOS-3-27644,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)cc4Cl)n23)cn1,SZJXSBXOXAEHFY-UHFFFAOYSA-N,3,1,0.337,96,204,477.315,3.977,5,0.39,0.76,1.0,0.29064149133027206,0.2943167020766226,0.5128503872250018,0.5410184360222055,0.4097067541635255
EOS-3-27645,COc1cnc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5cncnc5)n34)c2)nc1,MHMKGEMTCDEQNV-UHFFFAOYSA-N,3,1,0.273,86,874,461.449,2.566,6,0.374,0.65,1.0,0.20946131176752794,0.05976286752107463,0.13802172572133506,0.12048523062161606,0.13193278390788843
EOS-3-27646,COc1nc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1-c1nccn1C,LVSFDSDYXSWJBL-UHFFFAOYSA-N,3,1,0.402,46,551,450.409,2.848,5,0.389,0.61,0.995,0.6202110890274827,0.414767664998972,0.3957662257556028,0.30571071208279077,0.4341139229662121
EOS-3-27647,FC(F)c1nc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(C(F)(F)F)n1,MRTFEXNKXQCZBB-UHFFFAOYSA-N,3,1,0.447,66,225,440.763,4.782,4,0.427,0.68,0.981,0.5747292851757932,0.8245665136042766,0.9815468439448976,0.9654238914399287,0.8365666335412241
EOS-3-27648,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cn1,VMNPQKRPDJTECT-UHFFFAOYSA-N,3,1,0.356,29,704,409.413,2.065,5,0.478,0.81,0.999,0.2094698786923446,0.07803611815502708,0.05696148310602426,0.04004180659310534,0.09612732163662532
EOS-3-27649,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)cn1,JVNIMTPTQXYIFU-UHFFFAOYSA-N,3,1,0.544,65,981,428.431,3.107,5,0.38,0.68,1.0,0.8064217668425742,0.8520920430402302,0.3883558357891851,0.3179614145706257,0.5912077650606539
EOS-3-27650,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccsc5)s4)n23)cc1,VVKHTXSDCQFKNX-UHFFFAOYSA-N,3,1,0.584,4,32,426.914,4.604,5,0.408,0.78,1.0,0.6736258652594065,0.8490507847303133,0.2695582893564526,0.41979644986635595,0.553007847303132
EOS-3-27651,Cn1cc(-c2cncc3nnc(-c4ccccc4F)n23)c(-c2cc(Cl)ccc2F)n1,XYVICOMTLCWONH-UHFFFAOYSA-N,3,1,0.457,45,46,422.826,4.79,5,0.419,0.8,1.0,0.16495613734493866,0.44608834212870946,0.9032794188198204,0.9434754300596258,0.6144498320882736
EOS-3-27652,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4ccncc4F)n23)cn1,YHYPXHHGELCCOQ-UHFFFAOYSA-N,3,1,0.489,65,904,432.394,2.938,5,0.377,0.66,1.0,0.786932012884655,0.7320351586594476,0.582884997601261,0.5799294085395107,0.6704453944212185
EOS-3-27653,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ccncn1,GKTJMOBQNYFHIU-UHFFFAOYSA-N,3,1,0.553,4,71,433.834,4.015,5,0.413,0.63,1.0,0.8441333698855459,0.8755225824138168,0.7926204509629223,0.8097885682955246,0.8305162428894524
EOS-3-27654,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)cn4)n23)ccc1C(F)F,CWFUCOYWOFCIHR-UHFFFAOYSA-N,3,1,0.467,7,212,451.372,3.089,5,0.384,0.62,1.0,0.7672195188815023,0.7717000205606196,0.7663371256253855,0.7055633609759441,0.7527050065108629
EOS-3-27655,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cccc(Cl)n5)n4)n23)cc1,GGVWOGRQMHIDGV-UHFFFAOYSA-N,3,1,0.325,98,890,467.884,3.154,6,0.359,0.67,1.0,0.20947844561716125,0.22255157288739635,0.16898259200877253,0.2513964087451169,0.21310225481461176
EOS-3-27656,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4F)n23)ncc1Cl,NAEWXDDKYQMCAH-UHFFFAOYSA-N,3,1,0.494,73,469,451.824,4.154,5,0.396,0.69,1.0,0.7981289836200397,0.8808597765746008,0.9032879857446371,0.9082311013638544,0.872626961825783
EOS-3-27657,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)cc2C)n1,PQAHUJWZVXTWAX-UHFFFAOYSA-N,3,1,0.467,4,677,444.886,3.888,5,0.402,0.64,1.0,0.5350044548009046,0.6554554177232541,0.3656877527242821,0.34015831677061203,0.4740764855047632
EOS-3-27658,Cc1ccc(-c2cc(C#N)cc(-c3nnc4cncc(OCCc5cncs5)n34)c2)nn1,QPAVKBIMFOOEQL-UHFFFAOYSA-N,3,1,0.506,15,628,440.492,3.506,5,0.394,0.67,1.0,0.7254471934754301,0.607412103351381,0.3735607566307998,0.33365602083476115,0.510019018573093
EOS-3-27659,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(F)cn5)c4)n23)cn1,HZGLEUIPNSDEEX-UHFFFAOYSA-N,3,1,0.483,97,430,413.416,3.67,5,0.434,0.82,1.0,0.8011616750051401,0.7413217051607155,0.6410287163319854,0.5575783016928243,0.6852725995476664
EOS-3-27660,Cc1nocc1-c1ccc(-c2nnc3cncc(-c4ncncc4-c4cccnc4)n23)cn1,JGTDNEDIANNYEC-UHFFFAOYSA-N,3,1,0.3,94,723,433.435,3.669,6,0.41,0.64,0.966,0.1322133506956343,0.1104190939620314,0.28471317935713797,0.28419916386813787,0.2028861969707354
EOS-3-27661,NCc1cncc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)n1,JGKAKRVUUBZNRA-UHFFFAOYSA-N,3,1,0.438,7,535,463.412,1.804,5,0.375,0.63,0.795,0.5117538208484682,0.3482540607223631,0.16253169762182168,0.14256219587416902,0.2912754437667055
EOS-3-27662,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)nc1,SJBUITGNYOVFBX-UHFFFAOYSA-N,3,1,0.308,10,872,454.404,3.169,6,0.399,0.58,0.994,0.02111746967308615,0.1445582893564526,0.3322596120896443,0.4450603111507093,0.2357489205674731
EOS-3-27663,Cc1cccc(COc2ncccc2-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)n1,QNWJPWZFXWWHTD-UHFFFAOYSA-N,3,1,0.386,62,648,455.453,3.374,5,0.417,0.63,1.0,0.43646768555959153,0.33826502638612843,0.46407888424371185,0.33697998766362824,0.39394789596326496
EOS-3-27664,COc1ccc(Oc2cncc3nnc(-c4cc(-c5cnc(C)s5)ncn4)n23)cc1OC,XQYVJYFVHNTPFD-UHFFFAOYSA-N,3,1,0.363,44,238,447.48,3.823,5,0.383,0.72,0.994,0.2960900555136728,0.09123774929751216,0.27337057089986977,0.11591049276951546,0.19415221712014255
EOS-3-27665,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(C)n2)nc1,RQKRQJDXVXQLIP-UHFFFAOYSA-N,3,1,0.448,65,658,425.456,2.672,5,0.405,0.63,1.0,0.4717291481049962,0.34826262764717975,0.05697005003084093,0.037540264546638336,0.2286255225824138
EOS-3-27666,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccnc(-c5conn5)c4)n23)cc1,RACQLNWJQVKGKF-UHFFFAOYSA-N,3,1,0.667,72,996,437.366,3.417,5,0.378,0.71,1.0,0.7435062709889658,0.630671304228634,0.7884740593516552,0.7114488383249948,0.7185251182235624
EOS-3-27667,Fc1cc(-c2ccncc2F)cc(-c2nnc3cncc(OCCc4ccnnc4)n23)c1,VVJWCUUOSLQYBD-UHFFFAOYSA-N,3,1,0.571,35,202,431.406,3.543,5,0.406,0.63,1.0,0.7642039613460352,0.7501370707970667,0.7947536152422726,0.792372010143239,0.7753666643821534
EOS-3-27668,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cn4)n23)cn1,AWLUWSFGCXJHNQ-UHFFFAOYSA-N,3,1,0.267,39,114,451.429,2.64,6,0.398,0.61,0.9,0.14843910629840312,0.19345829620999247,0.11487389486669865,0.15801692824343774,0.153697056404633
EOS-3-27669,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cn5)n34)cn2)cn1,FJFZIHDKWGRUCN-UHFFFAOYSA-N,3,1,0.289,70,392,475.516,4.028,6,0.368,0.77,1.0,0.1843430882050579,0.10062709889658009,0.3508841066410801,0.22478754026454664,0.21516045850181617
EOS-3-27670,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,DTTKGCAIBBPAFM-UHFFFAOYSA-N,3,1,0.513,22,311,454.828,3.904,5,0.371,0.71,1.0,0.359785141525598,0.5835960523610445,0.5701374134740593,0.67428551847029,0.5469510314577479
EOS-3-27671,Cn1cc(-c2nccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)nn1,PFGNAWHCSNEYCD-UHFFFAOYSA-N,3,1,0.449,73,446,423.799,2.962,5,0.434,0.66,1.0,0.4387636214104585,0.6894232746213419,0.3136865190871085,0.3945925570557193,0.4591164930436571
EOS-3-27672,Cc1nc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)cc5)c4)n23)ccc1F,VHJAOKFXQWILTC-UHFFFAOYSA-N,3,1,0.541,11,275,444.445,4.456,5,0.385,0.73,1.0,0.9291086971420739,0.8834127201699677,0.7545918717017339,0.7406363511753821,0.8269374100472894
EOS-3-27673,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)ccc1F,KNTSLSAUAFPHRO-UHFFFAOYSA-N,3,1,0.527,11,275,444.445,4.456,5,0.385,0.73,1.0,0.9358937015968748,0.8987389486669864,0.740096634911932,0.7140960180933452,0.8222063258172846
EOS-3-27674,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)nc4)n23)ccc1F,WDDLSOLYLLALOU-UHFFFAOYSA-N,3,1,0.467,55,390,432.394,3.204,5,0.417,0.64,1.0,0.6708159139195394,0.7088016585566445,0.5265489000068535,0.4577222260297444,0.5909721746281954
EOS-3-27675,Cc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)n1,XLOYZNNRCVCSBB-UHFFFAOYSA-N,3,1,0.505,11,848,426.455,4.317,5,0.377,0.77,1.0,0.772745185388253,0.7629103556987183,0.655249811527654,0.6103676924131314,0.7003182612569392
EOS-3-27676,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4F)n23)ncc1Cl,PEHICCCXMMLRQJ-UHFFFAOYSA-N,3,1,0.529,59,469,440.797,4.352,5,0.401,0.7,1.0,0.8064303337673908,0.8245750805290932,0.8759594955794668,0.8754711808649167,0.8456090226852169
EOS-3-27677,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)c2)nn1,YTCQNRDAOIBNRD-UHFFFAOYSA-N,3,1,0.231,99,813,436.443,1.839,6,0.406,0.59,1.0,0.010700089096018094,0.008070043177301076,0.09398773216366253,0.08475258721129464,0.04937761291206909
EOS-3-27678,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,LJRMPDRLEPVEAS-UHFFFAOYSA-N,3,1,0.283,42,174,448.446,3.974,6,0.386,0.68,1.0,0.27958159139195393,0.09738880131587965,0.49509115208004933,0.41346549242683844,0.32138175930368035
EOS-3-27679,COc1nccc2c1cc(-c1cncc3nnc(-c4ccc(-c5cn(C)nn5)cc4)n13)n2C,OTERSDIPDQRXKD-UHFFFAOYSA-N,3,1,0.304,98,882,437.467,3.149,6,0.418,0.64,1.0,0.1954458227674594,0.22776026317593037,0.28103796861078745,0.2136762387773285,0.22948007333287646
EOS-3-27680,Cc1cccnc1-c1cc(-c2nnc3cncc(OCCc4cncnn4)n23)nnc1F,KGIUAIIHMHKRRO-UHFFFAOYSA-N,3,1,0.39,53,466,430.407,1.897,5,0.394,0.62,0.888,0.6004900280995134,0.4949883489822493,0.06678774587074224,0.08131725035981084,0.3108958433280789
EOS-3-27681,Fc1cc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)c(F)cc1-c1nnco1,VSWXZJJPPMXXLW-UHFFFAOYSA-N,3,1,0.29,94,287,469.415,3.562,6,0.373,0.67,0.999,0.2906500582550888,0.362415187444315,0.6469741621547529,0.6309197450483175,0.4827397882256185
EOS-3-27682,Cc1ncc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cn(C)c(C)n6)cn5)n34)cn2)cn1,HDXNQXMEIFLUBG-UHFFFAOYSA-N,3,1,0.244,86,652,461.493,3.118,6,0.389,0.63,0.93,0.12083647453909944,0.06740456445754232,0.1289664861901172,0.08132581728462751,0.09963333561784662
EOS-3-27683,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c(F)c1,MZZKSUWDMQQBKH-UHFFFAOYSA-N,3,1,0.506,16,55,435.85,3.958,5,0.389,0.68,1.0,0.7579329723802344,0.7041498183811938,0.8136008498389418,0.7923805770680556,0.7670160544171064
EOS-3-27684,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccsc5)n4)n23)cc1,SKNNGINRDSNOLV-UHFFFAOYSA-N,3,1,0.315,38,193,436.504,4.377,6,0.408,0.68,1.0,0.1053303406209307,0.09439894455486258,0.33575491741484476,0.35939106298403123,0.22371881639366734
EOS-3-27685,OCc1ncc(-c2cnnc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cn1,ZSSURZCHUMVNDQ-UHFFFAOYSA-N,3,1,0.411,54,511,448.393,2.388,5,0.417,0.61,1.0,0.57473785210061,0.4855475978342814,0.6139915016105819,0.6010468782125968,0.5688309574395176
EOS-3-27686,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)ccn2)nc1,PRHHSKBHGDHLJX-UHFFFAOYSA-N,3,1,0.489,75,583,448.849,3.452,5,0.364,0.68,1.0,0.857540607223631,0.812898362003975,0.44298711534507573,0.4733140291960798,0.6466850284421903
EOS-3-27687,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,AKZBTHPWOSGNQS-UHFFFAOYSA-N,3,1,0.442,2,328,432.875,3.697,5,0.377,0.71,1.0,0.3711877184565828,0.38632547460763483,0.41322561853197176,0.39460112398053593,0.3913349838941813
EOS-3-27688,FC(F)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncccn5)c4)n23)cn1,YXBKYHGKDLERHV-UHFFFAOYSA-N,3,1,0.467,27,69,433.382,2.95,5,0.398,0.63,0.713,0.7372438489479817,0.6452436433417861,0.495099719004866,0.4036649304365705,0.5703130354328011
EOS-3-27689,CCOc1ncccc1-c1ccnc(-c2nnc3cncc(OCCc4cnco4)n23)c1,UCUABVBCEZLGQB-UHFFFAOYSA-N,3,1,0.432,18,840,429.44,3.257,5,0.367,0.68,0.997,0.3011531080803235,0.085052429579878,0.19160784044959223,0.11817216092111575,0.17399638475772736
EOS-3-27690,Clc1cnc(COc2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)cn1,GCAJFCSYLPSNSX-UHFFFAOYSA-N,3,1,0.524,7,535,417.82,2.666,5,0.425,0.66,1.0,0.4841597560139812,0.5404273182098553,0.1721609211157563,0.19853848262627646,0.3488216194914673
EOS-3-27691,OCCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)nc1,KIEVCDXHZDPDCN-UHFFFAOYSA-N,3,1,0.482,55,283,431.481,2.819,5,0.419,0.67,1.0,0.42518504557604003,0.3863340415324515,0.2518590226852169,0.2014855047632102,0.3162159036392297
EOS-3-27692,Cn1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(-c6cncnc6)c(F)c5)n34)nc2)cn1,LXTFAKSCMCYAPY-UHFFFAOYSA-N,3,1,0.341,42,809,463.48,3.774,6,0.384,0.68,1.0,0.244945514358166,0.25775306695908434,0.6663525460900556,0.622267150983483,0.4478295695976972
EOS-3-27693,Cc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3c(F)cccc3Cl)n12,BJEQKGUFPFDJIF-UHFFFAOYSA-N,3,1,0.5,43,332,448.889,4.872,5,0.383,0.77,1.0,0.7552515249126174,0.7458621753135495,0.8336388869851278,0.8184582962099924,0.7883027208553217
EOS-3-27694,COc1ncc(-c2ncc(F)cn2)cc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,OOKNLZOAOLQXHX-UHFFFAOYSA-N,3,1,0.523,73,665,465.395,3.648,5,0.375,0.7,1.0,0.8599050784730313,0.8726098279761497,0.716811733260229,0.6513347268864369,0.7751653416489617
EOS-3-27695,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1Cl,VVKIAQIMVKDMCK-UHFFFAOYSA-N,3,1,0.476,51,196,454.281,3.263,5,0.398,0.61,1.0,0.5247241450209033,0.5886762387773284,0.2955332054005894,0.39460969090535264,0.4508858200260435
EOS-3-27696,Cc1cnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n(C)n2)nn1,QFVNJUAVXYMVHD-UHFFFAOYSA-N,3,1,0.371,67,622,462.477,3.54,6,0.378,0.69,1.0,0.2960986224384895,0.23752655746693166,0.12604516482763348,0.11591905969433212,0.1938973511068467
EOS-3-27697,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)s5)n34)nc2)nc1,NDZIVDQBANWALK-UHFFFAOYSA-N,3,1,0.312,76,557,434.488,4.434,6,0.405,0.71,1.0,0.07488348982249332,0.13345555479405113,0.2623963402097183,0.29605578781440617,0.19169779316016722
EOS-3-27698,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnns5)cn4)n23)cc1,UGUVESIFNFFEGX-UHFFFAOYSA-N,3,1,0.525,51,969,438.423,3.616,5,0.396,0.66,1.0,0.5832876430676445,0.5886848057021452,0.6256853539853334,0.5799379754643273,0.5943989445548625
EOS-3-27699,N#Cc1cc(F)cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5nnco5)c4)n23)c1,LQUQVGLHRNBBAG-UHFFFAOYSA-N,3,1,0.512,72,97,448.805,3.479,5,0.371,0.65,0.988,0.7896648619011719,0.7458707422383661,0.7523559043245837,0.7714087451168529,0.7648250633952436
EOS-3-27700,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c(Cl)cn2)nn1,KYQVNPFWWJFCOJ-UHFFFAOYSA-N,3,1,0.506,27,134,468.855,4.152,5,0.369,0.76,1.0,0.6315451305599342,0.7458793091631828,0.840029812898362,0.8204029881433761,0.7594643101912137
EOS-3-27701,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnnc6)nc5)n34)nc2)o1,BSROVLGWGFFYEQ-UHFFFAOYSA-N,3,1,0.28,70,179,432.447,4.274,6,0.406,0.69,1.0,0.0952470701117127,0.04844595983825646,0.5128589541498184,0.46392467959701184,0.28011916592419983
EOS-3-27702,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)c(F)c4)n23)cc1,FARYBFLSRKSVRT-UHFFFAOYSA-N,3,1,0.338,9,867,437.438,4.653,6,0.399,0.69,1.0,0.4090363922966212,0.3579689534644644,0.7588410664108012,0.7327804811184977,0.5646567233225961
EOS-3-27703,COC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cn4)n23)cc1,UJHUMCFSSNFWKO-UHFFFAOYSA-N,3,1,0.391,89,310,441.451,3.474,5,0.381,0.76,1.0,0.46456719895826193,0.222560139812213,0.2518675896100336,0.10238331848399698,0.2603445617161264
EOS-3-27704,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nn2)nc1,ZIQBOOVBKPXRCD-UHFFFAOYSA-N,3,1,0.34,38,608,418.424,2.891,6,0.429,0.67,1.0,0.004694674799533959,0.021691453635802892,0.17545062024535674,0.20474093619354397,0.10164442121855939
EOS-3-27705,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncs6)c5)n34)cn2)n1,ULQXYJYFTFVCRE-UHFFFAOYSA-N,3,1,0.287,42,321,438.476,4.335,6,0.4,0.7,1.0,0.23407408676581454,0.19801590021245974,0.24445719964361592,0.25743609074086765,0.23349581934068947
EOS-3-27706,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c(F)cn2)no1,MWXSWBLWNRIDLC-UHFFFAOYSA-N,3,1,0.4,46,915,422.355,2.797,5,0.421,0.65,1.0,0.6004985950243301,0.4900795010622987,0.32122541292577617,0.3336645877595778,0.43636702419299567
EOS-3-27707,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cc1F,CJQQCNJNRTWVON-UHFFFAOYSA-N,3,1,0.549,34,607,453.84,4.097,5,0.398,0.65,1.0,0.8810996504694675,0.8987475155918032,0.8559728599821808,0.8768675896100336,0.8781719039133713
EOS-3-27708,Cc1nccc(OCc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4)n23)n1,XYEUBYJDZGJKBY-UHFFFAOYSA-N,3,1,0.357,7,930,415.392,2.46,5,0.427,0.73,1.0,0.5580409156329244,0.5359296826811047,0.1689911589335892,0.1271245973545336,0.347521588650538
EOS-3-27709,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(C)nn5)c4)n23)c(Cl)cn1,HOETXNHVHZZHAW-UHFFFAOYSA-N,3,1,0.483,24,241,444.886,3.888,5,0.402,0.66,1.0,0.5665650058255088,0.5637721883352752,0.4501062298677267,0.4069203618669043,0.4968409464738538
EOS-3-27710,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ncc5F)nc4)n23)cc1,MXPOZVVLWOCTHK-UHFFFAOYSA-N,3,1,0.553,97,230,430.418,4.414,5,0.384,0.73,1.0,0.9663405523953121,0.8206000274141594,0.8770731958056336,0.8323624151874444,0.8740940477006374
EOS-3-27711,COc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)n1,ACTMEGQIFHSEKR-UHFFFAOYSA-N,3,1,0.459,87,822,444.43,2.808,5,0.374,0.65,1.0,0.6708244808443561,0.5886933726269619,0.27739702556370366,0.23382564594613117,0.4426851312452882
EOS-3-27712,Clc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,FTXMHVRZRBQPGS-UHFFFAOYSA-N,3,1,0.281,98,615,453.857,3.144,6,0.426,0.59,1.0,0.24782400109656638,0.3382735933109451,0.3810139812213008,0.4545867315468439,0.35542457679391404
EOS-3-27713,CCn1nnc(Oc2cccc(Cl)c2)c1-c1cncc2nnc(-c3ccc(C(=O)NC)cn3)n12,AVXPQADKXNGULO-UHFFFAOYSA-N,3,1,0.33,33,776,475.9,3.27,5,0.396,0.71,1.0,0.19545438969227605,0.3142776368994586,0.06289836200397506,0.0830306353231444,0.16391525597971351
EOS-3-27714,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)cn6)nn5)n34)cn2)n1C,DKBWJGCQZPQDGF-UHFFFAOYSA-N,3,1,0.306,86,312,453.445,2.677,6,0.4,0.61,0.999,0.05810088410664108,0.16768898636145568,0.1560808032348708,0.1630799808100884,0.136237663628264
EOS-3-27715,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)n1,QEBDJAYQXSBFRS-UHFFFAOYSA-N,3,1,0.439,44,531,463.423,3.991,5,0.376,0.69,0.923,0.8194092248646426,0.7501456377218834,0.7195445822767459,0.7299019943800973,0.7547503598108423
EOS-3-27716,Cn1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)n1,KZRDHAZQQNIQPC-UHFFFAOYSA-N,3,1,0.517,73,212,453.293,3.868,5,0.399,0.66,1.0,0.4866612980604482,0.6697707490919059,0.5198152971009526,0.6073521348776643,0.5708998697827428
EOS-3-27718,CCn1cncc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC)c(Cl)c4)n23)cn1,IGIRSTVAOXCXHN-UHFFFAOYSA-N,3,1,0.392,74,788,474.912,3.875,5,0.397,0.72,0.999,0.643101912137619,0.5268059077513536,0.3883644027140018,0.3022411075320403,0.4651283325337537
EOS-3-27719,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)c1,JGXMKTSWVMBEJI-UHFFFAOYSA-N,3,1,0.478,27,343,453.388,2.975,5,0.4,0.61,1.0,0.3483654307449798,0.44609690905352617,0.7707919265300528,0.5860033582345281,0.5378144061407717
EOS-3-27720,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6F)c5)n34)cc2)n1,MLABGTZIEXEMDU-UHFFFAOYSA-N,3,1,0.318,3,150,456.416,4.281,6,0.39,0.71,1.0,0.10001884723459667,0.25776163388390105,0.6689483243095059,0.6742940853951066,0.4252557227057776
EOS-3-27721,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5nccn5C)c4)n23)n1,QRWLSTUJAWLGMQ-UHFFFAOYSA-N,3,1,0.512,37,353,452.881,3.339,5,0.392,0.68,1.0,0.5693749571653759,0.7320437255842642,0.35089267356589676,0.40367349736138713,0.5139962134192311
EOS-3-27722,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cn1,USFQQTJGKZQLDI-UHFFFAOYSA-N,3,1,0.488,68,127,412.36,1.852,4,0.51,0.68,1.0,0.4768864368446303,0.4053954492495374,0.29911417997395656,0.15262833253375369,0.33350609965046946
EOS-3-27723,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)cn2)n(C)n1,KBXBGLCGHQATSS-UHFFFAOYSA-N,3,1,0.578,92,283,423.44,2.741,5,0.423,0.68,0.994,0.44809300253580975,0.30417723254060725,0.3430796381330957,0.242649578507299,0.334499862929203
EOS-3-27724,Fc1cnc(F)c(F)c1COc1cncc2nnc(-c3cccc(-c4nncs4)c3)n12,GWYMXNJQWGGFTR-UHFFFAOYSA-N,3,1,0.472,16,772,441.398,3.701,5,0.384,0.71,1.0,0.7435148379137825,0.7134449318072784,0.7588496333356178,0.7381005414296484,0.7384774861215818
EOS-3-27725,Cc1cc(-c2cc(Cl)ncn2)ncc1-c1cncc2nnc(-c3cnc(C)c(C)n3)n12,YFGYTUGNRYVXJY-UHFFFAOYSA-N,3,1,0.27,50,296,429.875,3.679,5,0.399,0.65,0.708,0.19841854567884312,0.1980244671372764,0.18511411143855802,0.19854704955109315,0.19502604345144267
EOS-3-27726,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)c(Cl)c1,QQCDEBQBQBQBEL-UHFFFAOYSA-N,3,1,0.494,20,279,468.308,3.305,5,0.374,0.68,1.0,0.5693835240901925,0.6306798711534508,0.28104653553560416,0.37240422178054966,0.4633785381399493
EOS-3-27727,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)nc1F,IGFXOJOWRFQZBN-UHFFFAOYSA-N,3,1,0.451,11,503,430.418,4.148,5,0.377,0.73,0.986,0.7896734288259887,0.6941008155712426,0.7195531492015627,0.7381091083544651,0.7353591254883147
EOS-3-27729,CCn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(-c4ccco4)cn3)n12,UNXDFZTZIWACSK-UHFFFAOYSA-N,3,1,0.333,32,979,452.453,4.531,6,0.379,0.75,1.0,0.1928586114728257,0.33333904461654446,0.21265677472414501,0.3210026728805428,0.2649642759235145
EOS-3-27730,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-n5cccn5)c(F)c4)n23)nn1,FWCWFWQOSWUXJE-UHFFFAOYSA-N,3,1,0.425,53,785,420.383,2.933,5,0.431,0.66,1.0,0.37825543143033374,0.25284421903913373,0.5128675210746351,0.49439723116989925,0.4095911006785004
EOS-3-27731,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ncccn5)n4)n23)nc1,WEEQVSMLXWIFDK-UHFFFAOYSA-N,3,1,0.248,99,286,423.404,1.019,6,0.403,0.64,1.0,0.0011736686998834898,0.010460215201151394,0.008918168734151188,0.007110547597834281,0.006915650058255088
EOS-3-27732,Cc1coc(-c2ccc(-c3nnc4cncc(-c5ncnnc5-c5ccccc5)n34)cn2)n1,WISMNBGZPFQUGN-UHFFFAOYSA-N,3,1,0.301,30,541,433.435,3.669,6,0.41,0.62,0.65,0.17563909259132343,0.08831642793502845,0.15310808032348708,0.17946850798437394,0.14913302720855323
EOS-3-27733,COc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1cnnn1C,RILJXMPLONMPQU-UHFFFAOYSA-N,3,1,0.523,15,638,433.497,3.278,5,0.389,0.66,1.0,0.3089147419642245,0.18905489685422522,0.2774055924885203,0.18236412857240764,0.23943483996984444
EOS-3-27734,FCc1ccc(Cc2cncc3nnc(-c4cccc(-c5ncc(F)cn5)c4)n23)cn1,FRGKNAZMWAGMKT-UHFFFAOYSA-N,3,1,0.366,14,260,415.407,3.843,5,0.434,0.74,1.0,0.36209821122609825,0.36743540538688235,0.6081402919607978,0.5980912891508464,0.48394129943115627
EOS-3-27735,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)nn1,DDUYFZBOXYZLNT-UHFFFAOYSA-N,3,1,0.468,19,159,461.888,4.366,5,0.371,0.71,0.999,0.6828181755876911,0.7365927626619149,0.6827068055650743,0.7028819135083271,0.7012499143307518
EOS-3-27736,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nn4)n23)n(C)n1,DEJDRCUANVHWLF-UHFFFAOYSA-N,3,1,0.411,53,662,417.408,2.403,5,0.429,0.71,0.687,0.3342899732711946,0.3435165512987458,0.11488246179151532,0.11108731409773148,0.2259440751147968
EOS-3-27737,COCc1cnc(COc2cncc3nnc(-c4cc(-c5nccc(C)n5)n(C)n4)n23)cn1,MAPMHHBGUWSUPE-UHFFFAOYSA-N,3,1,0.374,7,828,444.459,1.806,5,0.366,0.67,1.0,0.1236721266534165,0.03472174628195463,0.026249057638270165,0.010708656020834761,0.04883789664861901
EOS-3-27739,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(CO)nc5)ccn4)n23)c1F,KXBDXJOIPGCFQG-UHFFFAOYSA-N,3,1,0.384,46,160,443.442,3.162,5,0.426,0.63,1.0,0.577599204989377,0.4768521691453636,0.6286837776711671,0.5109228291412514,0.5485144952367897
EOS-3-27740,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5nccnc5Cl)ncn4)n23)nc1,OZOUXEOHVQGNTG-UHFFFAOYSA-N,3,1,0.385,46,128,452.265,3.319,5,0.396,0.63,0.994,0.5426375848125556,0.6941093824960592,0.3027979576451237,0.4165581522856555,0.48902576930984853
EOS-3-27741,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(C)ncc5F)n34)nc(C)n2)cn1,BTNROBGZOQSRAJ-UHFFFAOYSA-N,3,1,0.44,46,500,442.458,3.682,5,0.406,0.64,1.0,0.6431104790624358,0.4855561647590981,0.4132341854567884,0.2930830649030224,0.4587459735453362
EOS-3-27743,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)ccn1,FRDQWHQSNDAGAP-UHFFFAOYSA-N,3,1,0.518,89,51,433.422,4.103,5,0.401,0.67,1.0,0.8487166746624631,0.5594715920773079,0.8117418271537249,0.7219004866013295,0.7354576451237065
EOS-3-27744,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)nn2C)cn1,ULISFYURVOTIHT-UHFFFAOYSA-N,3,1,0.448,31,569,445.462,2.754,5,0.393,0.65,0.999,0.3389589472962785,0.23753512439174834,0.20559762867521075,0.13800459187170172,0.23002407305873485
EOS-3-27745,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cnccn1,KWIKSNUSNOMLNN-UHFFFAOYSA-N,3,1,0.439,87,779,461.873,2.717,5,0.357,0.68,1.0,0.537420327599205,0.554314303337674,0.1560893701596875,0.1403005277225687,0.34703113220478377
EOS-3-27746,Cc1c(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cn4)n23)c(-c2ncc(F)cn2)nn1C,SEQKHHVQJOXREF-UHFFFAOYSA-N,3,1,0.262,86,249,453.445,2.881,6,0.431,0.6,0.982,0.04656980330340621,0.15618360633267084,0.07103694057980947,0.09031252141731204,0.09102571790829964
EOS-3-27747,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)nc1,ULHRAZZPLIIUME-UHFFFAOYSA-N,3,1,0.286,86,927,420.4,1.681,6,0.414,0.65,0.962,0.00645089438695086,0.0347303132067713,0.028442190391337125,0.03881673634432184,0.027110033582345282
EOS-3-27748,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)nn1C,ADILLWMEYIHBCT-UHFFFAOYSA-N,3,1,0.394,31,569,436.867,1.99,5,0.397,0.6,1.0,0.25304982523473374,0.19803303406209308,0.021160304297169488,0.026531766157220204,0.12469373243780411
EOS-3-27749,FC(F)c1ccc(-c2nnc3cncc(OCc4cn(-c5cccc(Cl)c5)nn4)n23)cn1,CCLRANGLWUXZIR-UHFFFAOYSA-N,3,1,0.609,27,69,454.828,3.937,5,0.383,0.71,1.0,0.2229884860530464,0.48556473168391473,0.7401052018367487,0.7484922212322664,0.549287660201494
EOS-3-27750,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1Cl,YVCKUWDZZUPWHA-UHFFFAOYSA-N,3,1,0.455,51,196,468.308,3.746,5,0.371,0.73,1.0,0.4916986498526489,0.5594801590021246,0.19851278185182647,0.30878623809197453,0.38961945719964364
EOS-3-27752,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4cnc(-c5cncnc5)cn4)n23)nc1,CLQGUWSQTWLPBN-UHFFFAOYSA-N,3,1,0.286,80,165,449.438,2.626,6,0.386,0.6,1.0,0.4003580974573367,0.20735384826262765,0.15010108971283667,0.11357172229456514,0.21784618943184153
EOS-3-27753,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)cc(Cl)n2)nn1,VSIZZZVPHWEGKE-UHFFFAOYSA-N,3,1,0.484,4,964,462.876,4.027,5,0.361,0.73,0.459,0.5452504968816394,0.6452522102666027,0.47794873552189704,0.4483500102803098,0.5292003632376122
EOS-3-27754,CCCOc1nc(-c2cnn(C)n2)ccc1-c1cncc2nnc(-c3cncc(Cl)c3)n12,WAZOOOAMEYOSEL-UHFFFAOYSA-N,3,1,0.333,50,974,447.89,3.486,5,0.389,0.64,0.967,0.4157271605784388,0.40540401617435406,0.1348176958399013,0.14257076279898567,0.27462990884792
EOS-3-27755,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)c2)ccn1,SGLJPECFDFIXRY-UHFFFAOYSA-N,3,1,0.416,46,160,435.369,3.64,5,0.389,0.65,1.0,0.7464789939003496,0.6697793160167227,0.8797460763484339,0.863057706805565,0.7897655232677678
EOS-3-27756,Cc1coc(-c2ccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)c(Cl)c2)n1,FCZRGIBHPPLBIG-UHFFFAOYSA-N,3,1,0.444,36,610,422.836,3.116,5,0.425,0.67,1.0,0.4339832773627579,0.49008806798711535,0.16558152285655542,0.16583853060105544,0.313872849701871
EOS-3-27757,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nc1,JMTUMWIOVDAXMN-UHFFFAOYSA-N,3,1,0.301,38,608,446.474,4.582,6,0.387,0.73,1.0,0.07299019943800973,0.08506099650469467,0.3284130628469605,0.2751781920361867,0.1904106127064629
EOS-3-27758,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncn4)n23)nc1,OINOTPQVPSLLIF-UHFFFAOYSA-N,3,1,0.358,33,53,484.455,2.044,6,0.364,0.82,0.988,0.3941042423411692,0.18906346377904187,0.044385237475155916,0.05726132547460763,0.17120356726749364
EOS-3-27759,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1F,VAHUDEPWSYFITL-UHFFFAOYSA-N,3,1,0.552,4,610,450.865,3.836,5,0.388,0.66,1.0,0.455229250908094,0.6074206702761976,0.41703790007538893,0.48540196011239806,0.49127244534301967
EOS-3-27760,FCc1cc(COc2cncc3nnc(-c4ccc(-c5cncc(CF)n5)nc4)n23)ccn1,LZHQXMHXYJEBGR-UHFFFAOYSA-N,3,1,0.435,55,85,446.421,3.556,5,0.374,0.65,1.0,0.5580494825577411,0.5268144746761703,0.45011479679254335,0.38207627989856763,0.4792637584812556
EOS-3-27761,CC(C)(C)c1ccnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)n1,WGOVHLWYCZPSME-UHFFFAOYSA-N,3,1,0.341,61,856,426.459,4.142,5,0.428,0.71,0.996,0.34137482009457887,0.3863426084572682,0.4395175107943253,0.2782708518950038,0.361376447810294
EOS-3-27762,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nn2)cs1,AEZDRYXFXVWSMW-UHFFFAOYSA-N,3,1,0.541,27,52,470.44,4.006,5,0.38,0.78,1.0,0.6090055513672812,0.6795627441573573,0.7195617161263793,0.5241672949078199,0.6330743266397094
EOS-3-27763,Cc1ncc(-c2ccc(-c3nnc4cncc(Cc5cnc(Br)cn5)n34)nc2)s1,CUXPSXOWIHLFSW-UHFFFAOYSA-N,3,1,0.337,85,674,465.34,3.762,5,0.399,0.67,1.0,0.1484476732232198,0.2528527859639504,0.14685422520731958,0.14995545199095334,0.1745275340963608
EOS-3-27764,Cc1cc(-c2nnc3cncc(-c4nccc(C(F)(F)F)n4)n23)ccc1-c1cnco1,ZGUWASDDXIFRHD-UHFFFAOYSA-N,3,1,0.358,27,243,423.358,4.231,5,0.429,0.69,1.0,0.39622883969570283,0.4811956000274142,0.905429716948804,0.7923891439928723,0.6438108251661984
EOS-3-27765,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5nc(Cl)cnc5F)n34)c2)cn1,ZFTUFRXFXHAWJZ-UHFFFAOYSA-N,3,1,0.396,18,711,451.853,2.791,5,0.387,0.64,0.998,0.46196285381399493,0.4054125830991707,0.2551658556644507,0.28112363785895417,0.3509162326091426
EOS-3-27767,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)[nH]n2)ccc1F,RRBKRLUABXMFDR-UHFFFAOYSA-N,3,1,0.411,46,963,438.373,3.276,5,0.42,0.64,0.978,0.5862860667534782,0.4680111027345624,0.7273747515591803,0.6773096429305736,0.6147453909944487
EOS-3-27768,c1ncc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6ncco6)cc5)n34)cn2)cn1,FNFRZWPQYKBYRM-UHFFFAOYSA-N,3,1,0.253,94,72,419.408,3.36,6,0.423,0.66,1.0,0.10760914262216435,0.09124631622232883,0.32842162977177713,0.3305033925022274,0.21444512027962442
EOS-3-27769,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccn1,LGGSBWPUGPNJQB-UHFFFAOYSA-N,3,1,0.489,92,329,416.42,3.008,5,0.435,0.72,1.0,0.4481015694606264,0.35797752038928105,0.42079021314508946,0.3433023781783291,0.3925429202933315
EOS-3-27770,Clc1ccc(-c2nnc3cncc(CCc4nccc(-c5cccnc5)n4)n23)cc1,UHGCWNJJQACVBX-UHFFFAOYSA-N,3,1,0.395,14,886,413.872,4.082,5,0.431,0.85,1.0,0.38281303543280104,0.6258481255568501,0.37737303817421697,0.5177078335960523,0.4759355081899801
EOS-3-27771,CCn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4F)n23)n1,SWQGJKRQECATBZ-UHFFFAOYSA-N,3,1,0.303,39,176,465.456,3.123,6,0.377,0.64,0.902,0.10002741415941334,0.14456685628126928,0.041421081488588855,0.10651257624563087,0.09813198204372559
EOS-3-27772,Cc1nc(F)cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)cc4Cl)n23)n1,ALIBYRUFRVJUTN-UHFFFAOYSA-N,3,1,0.483,16,353,450.865,3.662,5,0.377,0.69,1.0,0.5832962099924611,0.659970187101638,0.46408745116852856,0.44506887807552603,0.5381056815845384
EOS-3-27773,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4ccc(C(N)=O)cn4)n23)c1,MOFSSFVLQILKMM-UHFFFAOYSA-N,3,1,0.4,31,643,456.47,1.58,5,0.367,0.65,0.258,0.13473202659173464,0.008772531012267836,0.05528236584195737,0.026540333082036873,0.056331814131999176
EOS-3-27774,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)ncn4)n23)c(F)c1,COHIFTUCNPVTPH-UHFFFAOYSA-N,3,1,0.517,34,675,435.369,3.64,5,0.389,0.66,1.0,0.822159207730793,0.8834212870947844,0.836937153039545,0.830357754780344,0.8432188506613665
EOS-3-27775,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)cn1,SDHDEAQFXOQKDG-UHFFFAOYSA-N,3,1,0.547,26,460,418.436,2.686,5,0.421,0.71,1.0,0.4866698649852649,0.545079158385306,0.4429956822698924,0.3691744911246659,0.4609797991912823
EOS-3-27776,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnn5)nn4)n23)c(F)c1,KVVMZSFNUAVULY-UHFFFAOYSA-N,3,1,0.304,39,944,466.415,3.441,6,0.385,0.62,0.867,0.2766859708039202,0.38171646905626755,0.39942430265231993,0.5109313960660681,0.3921895346446439
EOS-3-27778,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccnc(C)c5)c4)n23)cc1,KFAPWBZLPYAKFP-UHFFFAOYSA-N,3,1,0.327,74,246,410.441,2.707,5,0.489,0.76,1.0,0.011462545404701529,0.011334041532451511,0.332268179014461,0.1985556164759098,0.13840509560688097
EOS-3-27779,Clc1ccc(COc2cncc3nnc(-c4cc(-c5cncnc5)ncn4)n23)nn1,HHLHVEMNISQLNJ-UHFFFAOYSA-N,3,1,0.398,7,395,418.808,2.061,5,0.418,0.65,0.937,0.39829346857651976,0.4461054759783428,0.1754591871701734,0.20149407168802685,0.3053380508532657
EOS-3-27780,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nn1,ONDSJAKVYSZZHZ-UHFFFAOYSA-N,3,1,0.4,67,789,467.428,2.765,6,0.372,0.68,1.0,0.55046775409499,0.47686073607018026,0.12897505311493387,0.1314423274621342,0.32193646768555956
EOS-3-27782,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1F,WMHWEVQSHZKSTA-UHFFFAOYSA-N,3,1,0.595,35,669,449.877,4.001,5,0.364,0.7,1.0,0.9170721677746556,0.9009320814200534,0.682715372489891,0.6773182098553903,0.7945094578849976
EOS-3-27783,COc1ccccc1-n1cnc(-c2cncc3nnc(-c4nccnc4-c4cccc(C)c4)n23)n1,KNSKMPCTNFVESA-UHFFFAOYSA-N,3,1,0.28,64,144,461.489,3.813,6,0.381,0.68,0.952,0.05117880885477349,0.010468782125968062,0.17216948804057294,0.16858851346720582,0.10060139812213008
EOS-3-27784,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1ncccn1,YAGFVHDWKNDBLK-UHFFFAOYSA-N,3,1,0.426,65,569,451.853,2.791,5,0.387,0.61,1.0,0.4619714207388116,0.38635117538208485,0.24102186279213214,0.30224967445685696,0.3478985333424714
EOS-3-27785,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)c(F)c5)n34)nc2)n1C,MGXKMOOXKURBKK-UHFFFAOYSA-N,3,1,0.321,98,882,466.484,3.497,6,0.392,0.65,1.0,0.26367281200740184,0.32861010211774383,0.31761017065314234,0.2811322047837708,0.2977563223905147
EOS-3-27786,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc(Cl)n2)no1,IKNIKLAZJXSWJC-UHFFFAOYSA-N,3,1,0.5,89,731,462.857,2.876,5,0.376,0.66,1.0,0.5892759235144952,0.4194966074977726,0.2056061956000274,0.16308854773490508,0.3443668185868001
EOS-3-27787,CCn1nc(-c2cccc(Cl)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,CYDJXJAGHUGTRM-UHFFFAOYSA-N,3,1,0.438,22,316,436.306,5.044,5,0.395,0.81,1.0,0.21472140360496197,0.4637533411006785,0.3773816050990336,0.6597046124323213,0.42889024055924885
EOS-3-27788,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)nn1C,OMUHFJGRPDVSSE-UHFFFAOYSA-N,3,1,0.392,85,516,432.438,3.819,5,0.42,0.65,1.0,0.19018573093002536,0.237543691316565,0.5988194777602632,0.4671544102528956,0.37342582756493725
EOS-3-27789,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ncc(-c4nnnn4C)cn3)n12,CXVQLVJDPOQZFF-UHFFFAOYSA-N,3,1,0.323,50,918,413.405,0.846,5,0.451,0.72,1.0,0.07914125145637722,0.044907819888972654,0.01770783359605236,0.009209444177917895,0.03774158727983003
EOS-3-27790,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)cc1,ZKZBVYNQJOTPQG-UHFFFAOYSA-N,3,1,0.543,16,19,419.395,3.444,5,0.434,0.67,1.0,0.7315725447193475,0.6074292372010143,0.7298505928311974,0.6714670002056062,0.6850798437392913
EOS-3-27791,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cc(-c4ncccn4)[nH]n3)n12,QJTOAYDRWAJDMH-UHFFFAOYSA-N,3,1,0.379,46,564,423.799,2.738,5,0.458,0.63,0.999,0.5922143787266123,0.4282948392844904,0.42805496538962373,0.4761839490096635,0.4811870331025975
EOS-3-27792,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(F)c(=O)n4C)n23)ccn1,OEFURRYURZUCFG-UHFFFAOYSA-N,3,1,0.426,7,624,433.407,1.399,5,0.408,0.6,1.0,0.37362929202933315,0.29432526900143924,0.08949009663491193,0.08645740524981153,0.21097551572887396
EOS-3-27793,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6)nn5)n34)cn2)nc1,DAZHJBKWNYOPQX-UHFFFAOYSA-N,3,1,0.31,10,37,453.416,3.774,6,0.401,0.62,1.0,0.02987286683572065,0.19804160098690973,0.6140000685353986,0.6888578575834419,0.3826930984853677
EOS-3-27794,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5cncc(Cl)c5)n4)n23)cc1F,DYJNISWRRNGSFD-UHFFFAOYSA-N,3,1,0.324,74,413,475.875,3.248,5,0.411,0.67,0.999,0.3089233088890412,0.3382821602357618,0.3284301966965938,0.3789664861901172,0.3386505380028785
EOS-3-27795,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)nn4)n23)nc1,JYFRNHYWFFQWAK-UHFFFAOYSA-N,3,1,0.323,33,432,410.401,1.46,5,0.467,0.78,1.0,0.14845624014803646,0.0597714344458913,0.05529093276677404,0.03644369817010486,0.07499057638270167
EOS-3-27796,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccnnc5)[nH]4)n23)cn1,UBRJKUIITZEXRC-UHFFFAOYSA-N,3,1,0.261,99,286,423.404,1.224,6,0.437,0.6,0.988,0.06324960592145844,0.03756596532108834,0.03186039339318758,0.037548831471455005,0.042556199026797345
EOS-3-27797,Cc1ncc(C)c(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c2)n1,NKVSUZFUCAIIBJ-UHFFFAOYSA-N,3,1,0.406,33,168,460.448,4.172,5,0.372,0.74,0.997,0.6580683297923378,0.45924713864711125,0.6552583784524707,0.5210232335001028,0.5733992700980056
EOS-3-27798,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(Cl)c4)n23)ccn1,MADRCUDSRMMWAB-UHFFFAOYSA-N,3,1,0.53,97,817,433.834,4.015,5,0.386,0.68,1.0,0.9213127955589062,0.8965543828387362,0.8648824617915153,0.8646597217462819,0.88685234048386
EOS-3-27799,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ncc(Cl)cn6)n5)n34)cc2)nn1,WAGBHOLGPWEDDH-UHFFFAOYSA-N,3,1,0.305,98,167,467.884,3.154,6,0.384,0.65,1.0,0.08802515249126174,0.19346686313480913,0.15311664724830376,0.20745665136042765,0.16051632855870057
EOS-3-27800,Fc1ncccc1-c1cncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,FCPLNGIUOJTCSL-UHFFFAOYSA-N,3,1,0.495,87,173,447.861,4.057,5,0.362,0.72,1.0,0.8167534781714756,0.852100609965047,0.6718182441230895,0.7028904804331437,0.7608907031731891
EOS-3-27801,Cn1cncc1-c1ncc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1F,QFBORYZYXACVID-UHFFFAOYSA-N,3,1,0.479,65,265,468.855,3.535,5,0.376,0.66,1.0,0.767228085806319,0.7181224727571791,0.6773867452539236,0.6947176341580427,0.7143637344938661
EOS-3-27802,Fc1cccc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)c1,NVCVNZJKPMZDDP-UHFFFAOYSA-N,3,1,0.6,57,146,433.393,4.85,5,0.397,0.78,1.0,0.837194160784045,0.9392348022753753,0.9567113289013776,0.9614402714001782,0.923645140840244
EOS-3-27803,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)nc2F)nc1,YRWPUMXRKLYVPA-UHFFFAOYSA-N,3,1,0.436,18,263,450.384,3.077,5,0.364,0.65,1.0,0.8791206908368172,0.8010417380577068,0.5599513398670414,0.5765968747858269,0.7041776608868481
EOS-3-27804,Cc1cc(-c2nccnn2)cc(Cl)c1-c1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,ZMEMNBDILSABLT-UHFFFAOYSA-N,3,1,0.364,61,648,460.86,3.51,5,0.435,0.56,1.0,0.23408265369063122,0.27346480707285314,0.5988280446850799,0.6135545884449318,0.429982523473374
EOS-3-27805,Clc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)ccn2)nc1,NQTZXBBNUTWWQG-UHFFFAOYSA-N,3,1,0.506,7,420,452.265,3.319,5,0.37,0.64,1.0,0.5299071345349873,0.6258566924816668,0.3547392228085806,0.4292971694880406,0.4849500548283188
EOS-3-27806,Cn1nc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1ccccn1,ZOGFBCUDBUTOMB-UHFFFAOYSA-N,3,1,0.436,95,477,434.41,2.882,5,0.405,0.62,0.995,0.4411537934343088,0.29919128229730657,0.317618737577959,0.34981324103899664,0.35194426358714276
EOS-3-27807,Fc1ncccc1-n1cc(-c2cncc3nnc(-c4cncnc4-c4cccnn4)n23)nn1,PSFLORJJBTXODL-UHFFFAOYSA-N,3,1,0.25,99,312,438.39,1.82,6,0.375,0.59,0.969,0.004249194709067233,0.07471215132615996,0.10395963265026387,0.1580254951682544,0.08523661846343636
EOS-3-27809,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccsc5)ns4)n23)cc1F,PZTDGVIJFITEIH-UHFFFAOYSA-N,3,1,0.37,14,357,464.551,4.456,5,0.401,0.73,0.998,0.21472997052977863,0.2683160852580358,0.2991227468987732,0.27827941881982043,0.265112055376602
EOS-3-27810,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5nnn[nH]5)cs4)n23)cc1,DONSODGEIRRJQQ-UHFFFAOYSA-N,3,1,0.294,39,972,442.443,3.296,6,0.441,0.59,0.892,0.20115139469536014,0.33829072716057845,0.2444657665684326,0.36609039819066547,0.28749957165375917
EOS-3-27811,CCn1nc(-c2nnn(F)n2)cc1-c1cncc2nnc(-c3cc(Cl)ccc3F)n12,SZITYMRLWYRKHI-UHFFFAOYSA-N,3,1,0.306,22,844,428.794,2.853,5,0.433,0.64,0.687,0.2038842437118772,0.3333476115413611,0.1594133369885546,0.33698855458844496,0.2584084367075595
EOS-3-27812,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nccc(C(F)F)n5)n34)cn2)s1,JSIYFPGJPWUWEZ-UHFFFAOYSA-N,3,1,0.321,50,243,423.412,3.408,5,0.433,0.63,0.999,0.16496470426975532,0.2943338359262559,0.20193098485367691,0.1932612569392091,0.2136226954972243
EOS-3-27813,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)nc1,KZRHJKIPVJQUDZ-UHFFFAOYSA-N,3,1,0.384,31,45,431.435,2.886,5,0.404,0.64,1.0,0.3828216023576177,0.30919745048317454,0.15312521417312042,0.1251028030978,0.24256176752792816
EOS-3-27814,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cc2)nc1,MXYRCRPETWIDGE-UHFFFAOYSA-N,3,1,0.356,42,977,453.853,4.014,6,0.389,0.68,1.0,0.3038088547734905,0.33335617846617777,0.38102254814611747,0.42930573641285724,0.3618733294496608
EOS-3-27815,Cc1nc(CCOc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)ccc1F,VUBUHHSFKPRUQE-UHFFFAOYSA-N,3,1,0.505,58,241,428.431,3.107,5,0.406,0.64,0.981,0.7372524158727983,0.6452607771914194,0.32481495442395997,0.28688061133575493,0.4985521897059832
EOS-3-27816,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1ccc(Cl)nc1,NSOQRHWAUXTJLI-UHFFFAOYSA-N,3,1,0.593,95,998,453.84,4.097,5,0.373,0.73,1.0,0.6120382427523816,0.6215218285244328,0.8480570214515798,0.8615242272633815,0.735785329997944
EOS-3-27817,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4Cl)n23)n1,KUIMNWFNSHNFSZ-UHFFFAOYSA-N,3,1,0.512,4,820,435.9,4.246,5,0.407,0.74,1.0,0.5747464190254267,0.6697878829415393,0.4280635323144404,0.43569666232609144,0.5270736241518744
EOS-3-27818,CCn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)c1,COZWSESHYVJJHL-UHFFFAOYSA-N,3,1,0.458,16,606,429.459,4.096,5,0.404,0.69,1.0,0.4966160646974162,0.4195051744225893,0.5954698101569461,0.46393324652182855,0.49388107394969505
EOS-3-27819,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3cncc(-c4cncnc4)c3)n12,VPTLJOYBWMBZKI-UHFFFAOYSA-N,3,1,0.489,2,817,449.396,4.299,5,0.382,0.7,1.0,0.8752655746693166,0.8862655061339182,0.9491810019875265,0.9235744637105064,0.9085716366253169
EOS-3-27821,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nc2)co1,RSMTZZJNYAOGAB-UHFFFAOYSA-N,3,1,0.321,32,191,424.449,4.027,6,0.417,0.68,1.0,0.16760331711328902,0.17637584812555684,0.3212339798505928,0.3179699814954424,0.2457957816462203
EOS-3-27822,Cc1cn(C)nc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,SDJMKPUBZRXXKC-UHFFFAOYSA-N,3,1,0.404,27,69,434.41,4.02,5,0.412,0.7,0.963,0.4645757658830786,0.5450877253101227,0.592377150298129,0.4514341032143102,0.5133686861764102
EOS-3-27823,Cn1cc(-c2cccc(-c3nnc4cncc(Cc5ccc(Cl)c(Cl)c5)n34)c2)cn1,SDIMAEJDTBRVER-UHFFFAOYSA-N,3,1,0.396,14,358,435.318,5.089,5,0.395,0.81,1.0,0.2987201014323898,0.34352511822356246,0.9094133369885546,0.9324412308957577,0.6210249468850662
EOS-3-27824,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)ncn1,FADMRKYFEREPJQ-UHFFFAOYSA-N,3,1,0.528,75,583,428.431,3.107,5,0.406,0.63,1.0,0.7925347817147557,0.6258652594064834,0.4465595229936262,0.38510040435885134,0.5625149921184291
EOS-3-27825,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nc1F,UYUWKGUFYOYTIC-UHFFFAOYSA-N,3,1,0.418,58,814,450.865,3.396,5,0.366,0.68,0.998,0.6431190459872524,0.5887019395517785,0.4318672469330409,0.45144267013912687,0.5287827256527997
EOS-3-27826,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)cnn1,KQSWTVXJTFFNFD-UHFFFAOYSA-N,3,1,0.338,38,983,419.408,3.36,6,0.423,0.69,1.0,0.1702933315057227,0.11622746898773216,0.4066376533479542,0.397642382290453,0.27270020903296555
EOS-3-27827,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nc5)n34)cc2F)n1C,AGTJQXVKHLMWJW-UHFFFAOYSA-N,3,1,0.314,98,314,466.484,3.497,6,0.392,0.66,0.999,0.2610170653142348,0.2785364265643205,0.3099684737166747,0.2782879857446371,0.28195248783496674
EOS-3-27828,COc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,KIYXGPWLPCFPFL-UHFFFAOYSA-N,3,1,0.511,65,262,460.885,3.322,5,0.36,0.68,1.0,0.7495202522102666,0.6402148584744021,0.19852134877664313,0.1794770749091906,0.4419333835926256
EOS-3-27829,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ccnc(CF)c5)ncn4)n23)n1,LTTGGIHVRCLCAG-UHFFFAOYSA-N,3,1,0.416,31,194,443.446,2.833,5,0.374,0.64,0.998,0.555445137413474,0.3435336851483791,0.15942190391337124,0.12049379754643273,0.29472363100541427
EOS-3-27830,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ncncc5-c5cccc(F)c5)n34)n2)nc1,LLDVFXIXDPWSQW-UHFFFAOYSA-N,3,1,0.303,94,902,465.427,4.046,6,0.384,0.68,0.941,0.2795901583167706,0.35798608731409776,0.4986207251045165,0.5952299362620793,0.43285672674936604
EOS-3-27831,Cn1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)n1,AMQUUCUSUGQVFF-UHFFFAOYSA-N,3,1,0.458,87,307,432.875,3.257,5,0.406,0.66,1.0,0.44345829620999244,0.490096634911932,0.33227674593927764,0.3560071276814475,0.40545970118566244
EOS-3-27832,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nn4)n23)nc1,FGYLTRAQTZAWNV-UHFFFAOYSA-N,3,1,0.386,51,924,453.253,2.714,5,0.392,0.56,0.954,0.5192584469878693,0.5933366458775958,0.10138098828044685,0.1958142005345761,0.352447570420122
EOS-3-27833,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1ccccn1,NCUAKCCGSXBNTR-UHFFFAOYSA-N,3,1,0.539,1,61,442.454,4.283,5,0.388,0.71,1.0,0.7841563292440545,0.7088102254814612,0.6663611130148722,0.517716400520869,0.6692610170653143
EOS-3-27834,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccnc6F)cn5)n34)cc2)n[nH]1,LWYCOHLFPPWHRQ-UHFFFAOYSA-N,3,1,0.321,38,167,450.441,3.543,6,0.405,0.64,1.0,0.19019429785484201,0.30920601740799125,0.3547477897333973,0.34643787266122955,0.30014649441436503
EOS-3-27835,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)cc1,YEMDQBRRGFSPOS-UHFFFAOYSA-N,3,1,0.341,74,423,408.425,2.67,5,0.487,0.85,1.0,0.14283633746830238,0.04129257761633884,0.19510314577479268,0.12913782468645055,0.12709247138647112
EOS-3-27836,Cc1cnc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4cnn(C)c4)c3)n12,XZXRPQVBKVUGHU-UHFFFAOYSA-N,3,1,0.477,16,55,431.887,4.128,5,0.389,0.72,1.0,0.4552378178329107,0.4855732986087314,0.6909567541635254,0.6249914330751833,0.5641898259200877
EOS-3-27837,Clc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nccs6)cn5)n34)cn2)cn1,RKHSAEJDYNZPKP-UHFFFAOYSA-N,3,1,0.317,94,977,469.921,4.482,6,0.348,0.85,1.0,0.19842711260365978,0.34827119457199646,0.3322853128640943,0.40368206428620385,0.3206664210814886
EOS-3-27838,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cnnnc5)ncc4Cl)n23)cc1,LKCOCCXUDVQTAJ-UHFFFAOYSA-N,3,1,0.649,16,772,451.277,3.924,5,0.396,0.63,1.0,0.8791292577616339,0.9349256390925913,0.7613768761565348,0.8242324035364266,0.8499160441367966
EOS-3-27839,Cc1nc(-c2nc[nH]n2)cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1,JZYAQVMICWKCTK-UHFFFAOYSA-N,3,1,0.278,86,513,434.427,2.194,6,0.437,0.57,0.922,0.13222191762045096,0.09739736824069632,0.06679631279555891,0.06173326022890823,0.08953721472140361
EOS-3-27840,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)c(Cl)c1,FBXGUCYAUDXXEZ-UHFFFAOYSA-N,3,1,0.316,64,27,465.908,4.364,6,0.381,0.74,1.0,0.15133472688643684,0.20270200808717703,0.34308820505791243,0.470161400863546,0.29182158522376805
EOS-3-27841,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)nc2)s1,AALLYKCGQAZFKC-UHFFFAOYSA-N,3,1,0.456,87,699,433.472,3.774,5,0.402,0.69,1.0,0.5504763210198067,0.5836046192858612,0.27741415941333697,0.26033171132890137,0.4179567027619766
EOS-3-27842,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccncc5F)ncn4)n23)o1,MKBWKHNFEVBRBT-UHFFFAOYSA-N,3,1,0.292,50,155,416.376,2.402,5,0.474,0.63,0.423,0.26102563223905145,0.1805736412857241,0.262404907134535,0.21368480570214515,0.22942224659036392
EOS-3-27843,CCOc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(Cc3ccc(C(F)(F)F)nc3)n12,UUTHPRKNQUDFJO-UHFFFAOYSA-N,3,1,0.352,66,264,482.466,4.087,5,0.427,0.78,0.996,0.4204732369268727,0.43734151189089165,0.7325748749228976,0.5766054417106435,0.5417487663628263
EOS-3-27844,Fc1cc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1ncncn1,UVNWHXCYLPGSIX-UHFFFAOYSA-N,3,1,0.506,13,145,454.252,4.882,5,0.382,0.73,1.0,0.9291172640668905,0.9420875882393256,0.895295044890686,0.9245510931396066,0.9227627475841271
EOS-3-27845,COc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,ZHUXNKVUFQHOAK-UHFFFAOYSA-N,3,1,0.362,93,689,445.486,4.715,6,0.382,0.76,1.0,0.17030189843053936,0.09440751147967925,0.509415050373518,0.5145038037146186,0.3221570659995888
EOS-3-27846,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cscn5)c4)n23)cc1,DHDRTRDLKBJLGR-UHFFFAOYSA-N,3,1,0.615,97,232,420.885,4.542,5,0.415,0.78,1.0,0.9020971831951203,0.9057723939414708,0.7042012199300939,0.7381176752792817,0.8125471180864917
EOS-3-27847,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5csc(C)n5)nc4)n23)nn1,MDHOKVTUADUBIQ-UHFFFAOYSA-N,3,1,0.453,4,617,416.47,3.296,5,0.43,0.79,1.0,0.31681344664519223,0.36242375436913166,0.10396819957508054,0.06655643890069221,0.21244045987252416
EOS-3-27848,Cc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(N)=O)s5)n34)c2)nc1,NNHSZZXBPKWEHK-UHFFFAOYSA-N,3,1,0.375,92,587,445.468,2.086,5,0.415,0.58,0.997,0.2582242478240011,0.08160852580357755,0.030643890069220754,0.015026386128435336,0.09637576245630869
EOS-3-27849,COc1c(C(N)=O)ccc(-c2nnc3cncc(-c4cc(-c5cncn5C)nc(C)n4)n23)c1F,WENRDWJARDILPT-UHFFFAOYSA-N,3,1,0.333,50,155,459.445,2.204,5,0.422,0.59,0.916,0.355141868274964,0.3242752381605099,0.19161640737440888,0.10020731958056336,0.24281020834761155
EOS-3-27850,Cn1nnc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)s2)n1,DHTAZJFSFOIFQJ-UHFFFAOYSA-N,3,1,0.352,25,774,437.492,3.772,6,0.414,0.64,1.0,0.06508292783222534,0.10388253032691386,0.09621513261599617,0.17948564183400725,0.11116655815228565
EOS-3-27851,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccnc(Cl)c4)n23)cc1,GIMPYJLMRRPSAU-UHFFFAOYSA-N,3,1,0.286,39,495,467.884,3.154,6,0.359,0.7,1.0,0.17860324857789048,0.19805016791172642,0.15609793708450415,0.26357857583441846,0.19908248235213488
EOS-3-27852,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)c1F,GPIAMBKLZCQTMK-UHFFFAOYSA-N,3,1,0.429,59,910,417.379,3.501,5,0.432,0.7,1.0,0.6287180453704339,0.5268230416009869,0.7866835720649715,0.7785963950380371,0.6802052635186073
EOS-3-27853,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(Cl)c4)n23)n(C)n1,CSWLAWQZIJHPHR-UHFFFAOYSA-N,3,1,0.483,36,662,434.891,3.466,5,0.421,0.65,1.0,0.44586560208347614,0.5311493386334042,0.3063018298951408,0.27518675896100336,0.38962588239325613
EOS-3-27854,Clc1ccc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ccn2)cn1,HFKMXIRBPTUETB-UHFFFAOYSA-N,3,1,0.409,97,525,436.262,4.742,5,0.376,0.77,1.0,0.6460575011993694,0.7458878760879994,0.729859159756014,0.783111164416421,0.726228925364951
EOS-3-27855,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cn2)ccn1,KOTNTZPBFYIQSY-UHFFFAOYSA-N,3,1,0.302,94,165,448.425,3.301,6,0.374,0.63,1.0,0.22886539647728052,0.35295730244671375,0.4951082859296827,0.4912446028373655,0.39204389692276065
EOS-3-27856,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5cccc(Cl)c5)n34)cn2)nn1,NJKNCARMFCSZQH-UHFFFAOYSA-N,3,1,0.349,98,727,468.912,3.703,6,0.388,0.68,0.992,0.07112260982797615,0.23242923720101433,0.3212425467754095,0.4036906312110205,0.2571212562538551
EOS-3-27857,Cn1nncc1-c1cnnc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c1,RPJJQYCJCHVQAH-UHFFFAOYSA-N,3,1,0.406,92,760,429.404,0.45,5,0.4,0.61,0.993,0.17296621204852305,0.06741313138235899,0.034516140086354605,0.015626070865602082,0.07263038859570968
EOS-3-27858,Clc1ccccc1-c1ncnnc1-c1cncc2nnc(-c3ccc(-c4ncon4)nc3)n12,YUMFIVGYKIPGNG-UHFFFAOYSA-N,3,1,0.346,10,543,454.841,3.409,6,0.39,0.63,0.718,0.2740816256596532,0.3382992940853951,0.2126653416489617,0.35601569460626414,0.29526548900006855
EOS-3-27859,COc1cccc(OCc2cncc3nnc(-c4ccnc(-c5ccc(C)cc5)c4)n23)c1,YEPMQGKGKFKOCG-UHFFFAOYSA-N,3,1,0.429,1,18,423.476,4.749,5,0.392,0.84,1.0,0.35979370845041464,0.21221986155849495,0.7546004386265506,0.6222757179082996,0.4872224316359399
EOS-3-27860,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)n5C)ncn4)n23)cn1,PFVRVLHKIFBYDC-UHFFFAOYSA-N,3,1,0.434,7,185,456.47,1.624,5,0.404,0.61,1.0,0.3389675142210952,0.13712219861558494,0.033171132890137754,0.008506956342951134,0.12944195051744228
EOS-3-27861,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)cnc4C)n23)s1,ZVFAFJVAWDDBNS-UHFFFAOYSA-N,3,1,0.44,7,85,434.46,3.435,5,0.414,0.62,1.0,0.4817610170653142,0.42395997532725654,0.2339798505928312,0.17949420875882394,0.3297987629360565
EOS-3-27862,Cc1ccnc(C)c1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)nnc1F,UNQJENJLQMUFGM-UHFFFAOYSA-N,3,1,0.46,18,393,442.458,3.416,5,0.394,0.63,0.998,0.6646648619011719,0.5268316085258036,0.3357634843396614,0.2782965526694538,0.45138912685902266
EOS-3-27863,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncc(C)n6)cn5)n34)cn2)cn1,KVSKRFCPKSFPSL-UHFFFAOYSA-N,3,1,0.342,86,968,459.477,3.174,6,0.387,0.62,1.0,0.09297683503529573,0.09740593516551299,0.12605373175245013,0.10652114317044753,0.1057394112809266
EOS-3-27864,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cn2)cn1,HSBGSWVBDISPBW-UHFFFAOYSA-N,3,1,0.483,7,85,448.849,3.718,5,0.4,0.65,1.0,0.712965184017545,0.7843876362141046,0.5828935645260778,0.5605852923034748,0.6602079192653005
EOS-3-27865,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1Cl,CUQXXOHQFGEFPT-UHFFFAOYSA-N,3,1,0.291,10,118,469.871,4.289,6,0.379,0.73,0.654,0.05983140291960798,0.23755225824138168,0.5501422109519567,0.6802994996915908,0.3819563429511343
EOS-3-27866,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)cn2)nn1,CJHLMQAUZVSUQA-UHFFFAOYSA-N,3,1,0.483,27,134,452.4,3.638,5,0.388,0.66,0.997,0.5067507367555343,0.5979199506545131,0.8302292509080941,0.7664399287231856,0.6753349667603318
EOS-3-27867,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1F,HFTDRCQJYPRLCE-UHFFFAOYSA-N,3,1,0.56,37,545,447.449,3.795,5,0.394,0.7,1.0,0.6259594955794668,0.6306884380782675,0.7168203001850456,0.6627630045918717,0.6590578096086629
EOS-3-27868,Fc1ccccc1-c1nnc2cncc(OCc3cnnc(-c4ccc(Cl)nn4)c3)n12,FDAKYEPXCRZSEC-UHFFFAOYSA-N,3,1,0.512,72,659,434.822,3.41,5,0.414,0.59,0.996,0.832216777465561,0.8916883695428689,0.5434000411212391,0.625,0.7230762970324173
EOS-3-27869,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)nn5)n4)n23)cc1,MLTZINCSQUQFEB-UHFFFAOYSA-N,3,1,0.312,8,890,468.872,2.549,6,0.379,0.61,1.0,0.18717874031937495,0.23756082516619834,0.0939962990884792,0.16080117880885478,0.16988426084572683
EOS-3-27870,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)cc4)n23)cc1,KWEAKUOWZRFJTP-UHFFFAOYSA-N,3,1,0.354,25,508,465.908,4.364,6,0.356,0.77,1.0,0.17861181550270716,0.31428620382427525,0.5468439448975396,0.6397950791583853,0.41988426084572683
EOS-3-27871,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cn4)n23)on1,KUQJKEPJUBZVPP-UHFFFAOYSA-N,3,1,0.258,99,286,426.404,1.432,6,0.406,0.61,0.998,0.05118737577959016,0.03757453224590501,0.016114385580152147,0.013981221300801865,0.02971437872661229
EOS-3-27872,OCc1cccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)c1,OFPYIBZGAUCEIR-UHFFFAOYSA-N,3,1,0.473,13,145,447.857,4.93,5,0.411,0.78,1.0,0.8849119320128846,0.8456497155780961,0.9411280926598589,0.9393975738468919,0.9027718285244328
EOS-3-27873,CCn1nccc1-c1nccnc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,IHGGXAMREHRBKN-UHFFFAOYSA-N,3,1,0.489,73,391,450.865,3.836,5,0.388,0.7,1.0,0.49410595572613253,0.722740045233363,0.3509012404907135,0.4293143033376739,0.4992653861969707
EOS-3-27874,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)nc1C,WDQDADUHSGWKRM-UHFFFAOYSA-N,3,1,0.446,7,617,459.901,3.591,5,0.388,0.66,1.0,0.5350130217257213,0.5784730313206772,0.08696285381399493,0.08133438420944418,0.32044582276745937
EOS-3-27875,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)c4C)n23)nc1,KMBJIGWCJHXTLI-UHFFFAOYSA-N,3,1,0.396,31,986,427.472,3.056,5,0.407,0.68,0.471,0.2530583921595504,0.10389109725173051,0.06680487972037558,0.035527037214721405,0.11482035158659447
EOS-3-27876,Cc1cncc(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2F)n1,AXSJQTBJOKAFJQ-UHFFFAOYSA-N,3,1,0.394,52,916,479.519,4.179,6,0.392,0.77,1.0,0.22887396340209717,0.1846086628743746,0.3994328695771366,0.42932287026249055,0.31055959152902474
EOS-3-27878,Fc1cc(F)c(COc2cncc3nnc(-c4cc(Cl)cc(-c5cnco5)c4)n23)cn1,PPYKRCVAIBPDAC-UHFFFAOYSA-N,3,1,0.512,59,439,440.797,4.352,5,0.375,0.7,1.0,0.8417089301624289,0.7966811733260228,0.9179459941059557,0.9161041052703721,0.868110050716195
EOS-3-27879,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)n2)c1,MZUXTYXOCFKPET-UHFFFAOYSA-N,3,1,0.311,10,952,454.404,3.169,6,0.374,0.64,0.986,0.015506133918168734,0.1934754300596258,0.40664622027277086,0.5145123706394352,0.2825350387225002
EOS-3-27880,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4cnccc4F)n23)nc1,ISUGLJQRIIZXQR-UHFFFAOYSA-N,3,1,0.484,65,981,428.431,3.107,5,0.406,0.62,1.0,0.6521657185936536,0.6402234253992187,0.37356932355561645,0.35291446782263036,0.5047182338427798
EOS-3-27881,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5(C)CC5)cc4)n23)c(F)c1,XDIBJJWSWIWUQG-UHFFFAOYSA-N,3,1,0.35,61,269,468.496,3.675,6,0.422,0.71,1.0,0.2636813789322185,0.23756939209101502,0.1985299157014598,0.2811407717085875,0.2452303646083202
EOS-3-27883,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ccn4)n23)cn1,ZQYDQGZJTYPPMT-UHFFFAOYSA-N,3,1,0.419,53,88,433.863,2.652,5,0.402,0.61,1.0,0.402516962511137,0.3720701117126996,0.21597217462819546,0.22804297169488041,0.3046505551367281
EOS-3-27884,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(Cl)cn5)nn4)n23)cn1,YPHLEDHZZCGMTC-UHFFFAOYSA-N,3,1,0.441,7,185,475.86,1.42,5,0.378,0.67,1.0,0.5117623877732849,0.49010520183674866,0.022119799876636283,0.016919676512918924,0.2602267664998972
EOS-3-27885,Cn1nc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)cc1Cl,JFGVZHYKSOAQHH-UHFFFAOYSA-N,3,1,0.494,7,420,437.826,2.748,5,0.413,0.61,1.0,0.4318501130834076,0.494996915907066,0.26241347405935167,0.2930916318278391,0.3705880337194161
EOS-3-27886,COc1ccc(-c2nnco2)nc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,LQYBWHVQDGMANI-UHFFFAOYSA-N,3,1,0.333,70,392,449.434,3.369,6,0.386,0.63,0.99,0.33171132890137756,0.1561921732574875,0.21598074155301214,0.18765848810910835,0.22288568295524638
EOS-3-27887,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)nc1,DHMFHTGGHXRGKV-UHFFFAOYSA-N,3,1,0.293,38,154,418.424,3.095,6,0.463,0.65,1.0,0.1843516551298746,0.13007161949146734,0.2624220409841683,0.260340278253718,0.20929639846480708
EOS-3-27888,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(C(C)(C)O)cc5F)n34)c(F)c2)cnn1,SRUAJNVVTLQBCA-UHFFFAOYSA-N,3,1,0.295,96,336,459.46,4.124,5,0.431,0.65,0.98,0.37826399835515045,0.49011376876156537,0.8746744568569667,0.7613169076828181,0.6260922829141251
EOS-3-27889,FC(F)c1cnc(COc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)cn1,QNEYBVYMVZOQAM-UHFFFAOYSA-N,3,1,0.5,7,535,467.827,3.603,5,0.369,0.68,1.0,0.6431276129120691,0.7273661846343636,0.5568158453841409,0.5109399629908848,0.6095624014803646
EOS-3-27890,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)nn2)n(C)n1,FBWDGSHCJNWVAH-UHFFFAOYSA-N,3,1,0.321,98,63,465.456,2.948,6,0.386,0.63,1.0,0.18436022205469124,0.22776883010074703,0.09171749708724557,0.11109588102254815,0.153735607566308
EOS-3-27891,COc1ncc(-c2cncc3nnc(-c4ccc(C)nc4)n23)c(-c2cccc(F)c2)n1,OWNKVGORPMQLIQ-UHFFFAOYSA-N,3,1,0.365,96,478,413.416,3.766,5,0.443,0.81,1.0,0.457473785210061,0.49500548283188267,0.47112946336782946,0.4261445411555068,0.46243831814131997
EOS-3-27892,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(F)nc4)c3)n12,FKSRDOCKZGBFGX-UHFFFAOYSA-N,3,1,0.495,75,329,430.447,3.051,5,0.382,0.67,1.0,0.43399184428757454,0.4723459666917963,0.30997704064149134,0.2665255979713522,0.3707101123980536
EOS-3-27893,Cc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1nccn1C,SFJJZVMIBNSAFI-UHFFFAOYSA-N,3,1,0.414,31,954,430.447,3.051,5,0.382,0.67,1.0,0.5833047769172778,0.4592557055719279,0.18512267836337468,0.1551812761291207,0.34571610924542523
EOS-3-27894,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)ccn1,SMRZULIIWZIOJR-UHFFFAOYSA-N,3,1,0.659,11,732,446.873,4.662,5,0.353,0.78,1.0,0.8773045027756836,0.9434240285107258,0.8400383798231786,0.859810842300048,0.880144438352409
EOS-3-27895,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)c1,GTEFBDVDGPJUEE-UHFFFAOYSA-N,3,1,0.364,46,211,434.41,3.322,5,0.404,0.61,1.0,0.49662463162223286,0.27854499348913714,0.6171869645671989,0.5508275649372901,0.4857960386539648
EOS-3-27896,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnco5)n4)n23)cn1,XYFIELYCECULLC-UHFFFAOYSA-N,3,1,0.299,76,368,421.424,3.304,6,0.426,0.66,1.0,0.14846480707285312,0.06742169830717566,0.2481666780892331,0.2247961071893633,0.1722123226646563
EOS-3-27897,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1F,ZSRBTBAHGPPSAN-UHFFFAOYSA-N,3,1,0.517,37,639,449.877,4.001,5,0.364,0.71,1.0,0.6916849427729422,0.7273747515591803,0.6637139332465218,0.6743026523199233,0.689269069974642
EOS-3-27898,CCn1c(-c2cncc(C)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,ONIVERJZSMCGPD-UHFFFAOYSA-N,3,1,0.291,8,474,459.517,4.502,6,0.374,0.76,0.994,0.0729987663628264,0.05204406826125694,0.12606229867726682,0.19326982386402577,0.11109373929134397
EOS-3-27899,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)nn6)n5)n34)cn2)cn1,LZDVMCYIEZYGLT-UHFFFAOYSA-N,3,1,0.289,8,952,456.38,1.959,6,0.362,0.63,0.479,0.015514700842985401,0.17188677952162293,0.13176787060516756,0.21640908779384552,0.13389460969090536
EOS-3-27900,Clc1cc(-c2ncncc2COc2cncc3nnc(-c4ccncc4)n23)ccn1,KUDMJAXTYCSOJI-UHFFFAOYSA-N,3,1,0.465,75,183,416.832,3.271,5,0.402,0.77,1.0,0.6675090809403057,0.5979285175793297,0.49511685285449936,0.5075902953875677,0.5670361866904257
EOS-3-27901,COc1nnc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cccnc1F,DCAATMLBUCJRJV-UHFFFAOYSA-N,3,1,0.446,18,466,444.43,2.808,5,0.35,0.68,0.97,0.6736344321842231,0.5499880063052567,0.2847217462819546,0.23383421287094786,0.4355445994105956
EOS-3-27902,Clc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)n1,XZKKEYRHKRPFKS-UHFFFAOYSA-N,3,1,0.528,75,496,430.859,3.313,5,0.378,0.67,1.0,0.7435234048385991,0.7717085874854362,0.33229387978891095,0.3529230347474471,0.5501122267150984
EOS-3-27903,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-n5cnc6ccccc65)cc4)n23)cn1,ROQMGESYYFQSBI-UHFFFAOYSA-N,3,1,0.531,79,891,476.5,3.246,6,0.375,0.77,1.0,0.3941128092659859,0.18907203070385856,0.309985607566308,0.2665341648961689,0.28992615310808034
EOS-3-27904,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nn[nH]n6)s5)n34)cc2)ccn1,JJUWIIXHONGAPQ-UHFFFAOYSA-N,3,1,0.298,38,725,442.443,3.296,6,0.413,0.61,0.999,0.2258841066410801,0.3910201494071688,0.25874683023781786,0.3498218079638133,0.30636822356247
EOS-3-27905,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)s1,HEPKRAYGDLLCHU-UHFFFAOYSA-N,3,1,0.333,98,865,427.453,3.365,6,0.421,0.62,1.0,0.11843773559043246,0.10732643410321431,0.11178123500788158,0.12511137002261669,0.11566419368103625
EOS-3-27906,Cc1ccc(-c2nnc3cncc(-c4nc(C)ccc4OCc4ccc(Cl)nc4)n23)nc1,BNBMFWSPIYNRAA-UHFFFAOYSA-N,3,1,0.31,33,776,443.898,4.493,5,0.369,0.75,0.887,0.4069032280172709,0.3863597423069015,0.5128760879994517,0.4639418134466452,0.44252021794256735
EOS-3-27907,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ccn2)cn1,FQKAWGMMEKDGRG-UHFFFAOYSA-N,3,1,0.467,7,99,448.849,3.718,5,0.4,0.62,1.0,0.8011702419299568,0.7088187924062779,0.634594955794668,0.610376259337948,0.6887400623672126
EOS-3-27908,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)s1,RHDFFIJLZQBTQE-UHFFFAOYSA-N,3,1,0.33,76,387,437.492,3.772,6,0.414,0.65,1.0,0.02767973408265369,0.05978000137070797,0.13482626276471799,0.16080974573367143,0.09577393598793776
EOS-3-27909,Cc1cnc(-c2cccc(-c3nnc4cncc(CCc5ccc(F)c(F)c5)n34)c2)cn1,YWKIKCCDWBKZFA-UHFFFAOYSA-N,3,1,0.479,14,886,428.446,4.62,5,0.409,0.76,1.0,0.46924473990816257,0.5594887259269412,0.8227074909190597,0.8097971352203414,0.6653095229936262
EOS-3-27910,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5)cnn4)n23)nc1,FBLBTMUUUUWCAK-UHFFFAOYSA-N,3,1,0.294,74,432,409.413,2.065,5,0.478,0.82,0.959,0.12942910013021725,0.023978822561853196,0.17217805496538963,0.13558015214858474,0.11529153245151119
EOS-3-27911,OCc1ccc(-c2nnc3cncc(OCc4ccnc(-c5c(F)cccc5F)c4)n23)cn1,BZKDGTNJANBSFE-UHFFFAOYSA-N,3,1,0.468,59,671,446.417,3.598,5,0.426,0.66,1.0,0.8372027277088616,0.7717171544102529,0.8515523267767802,0.8165907065999589,0.8192657288739633
EOS-3-27912,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ncn2)cn1,YQEJECSSDNEXLI-UHFFFAOYSA-N,3,1,0.511,73,354,452.812,3.549,5,0.399,0.62,1.0,0.8533599479130971,0.9563429511342608,0.7476355287505997,0.7689500376944692,0.8315721163731067
EOS-3-27913,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,MLVCZNLNAGVRGK-UHFFFAOYSA-N,3,1,0.351,8,474,456.857,3.352,6,0.367,0.64,1.0,0.2066170927283942,0.25286135288876704,0.09882804468507984,0.19042560482489207,0.1871830237817833
EOS-3-27914,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(C#N)cn5)c4)n23)nn1,UXTHWNCEHZDTRA-UHFFFAOYSA-N,3,1,0.44,53,62,421.424,2.797,5,0.421,0.65,1.0,0.5530292646151738,0.4054211500239874,0.4029453087519704,0.34983037488863,0.4278065245699404
EOS-3-27915,CCc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)ccn2)c1,OAAQVPAWMCEATE-UHFFFAOYSA-N,3,1,0.484,75,43,441.47,4.232,5,0.389,0.71,1.0,0.522076965252553,0.5731015694606264,0.5735384826262765,0.4514512370639435,0.5300420636008498
EOS-3-27916,Cc1ccc(-c2nnc3cncc(CN4CCCC4Cc4ccc(Cl)c(F)c4)n23)cc1,PVYZUDCUNSJMLW-UHFFFAOYSA-N,3,1,0.458,0,646,435.934,5.099,5,0.437,0.78,1.0,0.3896408745116853,0.472354533616613,0.47113803029264617,0.7760177506682201,0.5272877972722911
EOS-3-27917,Cc1cc(F)cc(-c2cc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)nn(C)c2=O)c1,OTSYFIJEWOUQOK-UHFFFAOYSA-N,3,1,0.417,7,677,458.457,2.677,5,0.395,0.64,1.0,0.20948701254197793,0.11967137276403263,0.23033890754574737,0.2164176547186622,0.19397873689260503
EOS-3-27918,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5nnc(C)o5)c4)n23)cn1,OBFIJOPOBGKBCL-UHFFFAOYSA-N,3,1,0.414,4,97,477.872,2.532,5,0.362,0.78,1.0,0.4817695839901309,0.44143650195325884,0.0894986635597286,0.06030258378452471,0.26825183332191077
EOS-3-27919,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3nccs3)n12,PNLPOILCQRCXFA-UHFFFAOYSA-N,3,1,0.595,11,0,418.457,4.07,5,0.414,0.79,1.0,0.8091631827839079,0.8167963127955589,0.4207987800699061,0.4607720512644781,0.6268825817284627
EOS-3-27920,COc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,UIXAODFLWVGONB-UHFFFAOYSA-N,3,1,0.478,65,804,445.418,2.202,5,0.368,0.63,1.0,0.7435319717634158,0.559497292851758,0.13803029264615174,0.10021588650538003,0.3853188609416764
EOS-3-27921,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)cc1-c1nncs1,LFAFXIWJONHNKN-UHFFFAOYSA-N,3,1,0.484,4,712,437.435,3.87,5,0.386,0.72,0.99,0.6947690357069426,0.7134534987320952,0.6052618052223974,0.5605938592282914,0.6435195497224316
EOS-3-27922,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cc2)cn1,GFDJCSZHMRVKQK-UHFFFAOYSA-N,3,1,0.346,38,983,458.485,4.381,6,0.375,0.7,1.0,0.32673394558289354,0.2277773970255637,0.5923857172229456,0.49125316976218214,0.40953755739839626
EOS-3-27923,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)nc1,ZUQLWRQDCPAPOP-UHFFFAOYSA-N,3,1,0.321,70,191,422.412,2.699,6,0.421,0.63,1.0,0.07113117675279282,0.08161709272839422,0.1817387430607909,0.17655575354670688,0.1277606915221712
EOS-3-27924,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cc1,WTZXYQAETNMSET-UHFFFAOYSA-N,3,1,0.338,9,508,462.521,3.841,6,0.383,0.71,1.0,0.10761770954698102,0.03473888013158796,0.0869714207388116,0.08646597217462819,0.0789484956480022
EOS-3-27925,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cc1,MLSIYMWUEWOWRZ-UHFFFAOYSA-N,3,1,0.306,39,543,466.415,3.441,6,0.385,0.65,1.0,0.27409019258446987,0.3482797614968131,0.3810311150709341,0.4883404153245151,0.37293537111918307
EOS-3-27926,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)ccc1-c1ccccn1,RJKYCBBNLXUMNE-UHFFFAOYSA-N,3,1,0.354,69,152,435.422,4.709,6,0.396,0.72,1.0,0.3293211568775272,0.40542971694880403,0.7500685353985334,0.7587296963881845,0.5608872764032623
EOS-3-27927,Cc1csc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cc2)n1,MTYIRWWGMBXUIR-UHFFFAOYSA-N,3,1,0.3,9,150,436.504,4.471,6,0.405,0.73,1.0,0.0020303611815502705,0.06743026523199232,0.30999417449112465,0.2960643547392228,0.1688797889109725
EOS-3-27928,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(Cl)c(-c5nccn5C)n4)n23)nc1,FPCHLNLJYJGRAI-UHFFFAOYSA-N,3,1,0.376,33,580,473.928,2.78,5,0.403,0.63,0.9,0.20115996162017682,0.1846172297991913,0.06901514632307587,0.0632838736207251,0.12951905284079226
EOS-3-27929,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4nccnc4F)n23)c(F)c1,UFHPNQNQTAFYDV-UHFFFAOYSA-N,3,1,0.472,16,815,420.383,2.839,5,0.431,0.65,1.0,0.5247327119457199,0.5359382496059215,0.5331711328901377,0.49126173668699885,0.5212759577821945
EOS-3-27930,COc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)nc1,VQZNNVPDKSTYKO-UHFFFAOYSA-N,3,1,0.561,97,230,458.909,4.798,5,0.361,0.82,1.0,0.902105750119937,0.8965629497635529,0.7588582002604345,0.677326776780207,0.8087134192310329
EOS-3-27932,COc1ccccc1-c1cc(-c2nnc3cncc(-c4ccccc4Cl)n23)c(=O)n(C)c1,VFZAXCSDRBUBPC-UHFFFAOYSA-N,3,1,0.405,96,616,443.894,4.486,5,0.409,0.77,1.0,0.30381742169830717,0.3529658693715304,0.7325834418477143,0.7689586046192859,0.5395813343842094
EOS-3-27933,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)ncn2)cn1,PKAVBSKPCLNKDK-UHFFFAOYSA-N,3,1,0.473,18,481,462.876,3.761,5,0.375,0.66,1.0,0.7039013775615105,0.669796449866356,0.5331796998149544,0.5508361318621068,0.614428414776232
EOS-3-27934,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)n1,QXFCENRZQLSVAG-UHFFFAOYSA-N,3,1,0.433,18,531,462.876,3.761,5,0.375,0.66,1.0,0.6736429991090398,0.6599787540264547,0.4170464670002056,0.46395038037146186,0.5536546501267905
EOS-3-27935,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(Cl)ncn5)cn4)n23)nc1,SBPHEIZDAIAZSK-UHFFFAOYSA-N,3,1,0.363,51,113,474.872,2.025,5,0.362,0.67,0.819,0.4552463847577274,0.3579946542389144,0.12898362003975053,0.08647453909944486,0.2571747995339593
EOS-3-27936,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)nc1,VKLLNCRHHGTOLX-UHFFFAOYSA-N,3,1,0.271,94,892,430.435,3.162,6,0.415,0.6,0.992,0.07914981838119389,0.10063566582139676,0.21958741690082928,0.25140497566993353,0.16269446919333835
EOS-3-27937,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,RHHCLUPWTMXKDR-UHFFFAOYSA-N,3,1,0.427,58,207,465.304,3.967,5,0.347,0.74,1.0,0.5504848879446234,0.6402319923240354,0.5094236172983346,0.6194571996436159,0.5798994243026523
EOS-3-27938,Cc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c(Cl)n1,BJURIIAFXYQBDV-UHFFFAOYSA-N,3,1,0.495,75,583,444.886,3.622,5,0.391,0.64,1.0,0.7071311082173943,0.6357514906449181,0.17218662189020628,0.21369337262696184,0.4321906483448702
EOS-3-27939,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)cn2)no1,JUUPSCYQESTXJN-UHFFFAOYSA-N,3,1,0.553,16,214,433.859,4.086,5,0.408,0.7,1.0,0.6580768967171544,0.679571311082174,0.41324275238160507,0.40369919813583716,0.5386475395791926
EOS-3-27940,CC(F)(F)c1ncc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cn4)n23)cc1F,WKGBMLYMFWTHEW-UHFFFAOYSA-N,3,1,0.361,85,476,448.412,3.88,5,0.403,0.65,1.0,0.38741347405935167,0.4950140497566993,0.8117503940785415,0.6917620450962922,0.5964849907477212
EOS-3-27941,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)n1,FWINTDKVZXGOTO-UHFFFAOYSA-N,3,1,0.524,36,258,419.836,2.609,5,0.4,0.71,1.0,0.5374288945240216,0.645269344116236,0.25187615653485024,0.29310019875265575,0.4319186484819409
EOS-3-27942,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nc(C)no5)n4)n23)c(F)n1,WLTHWFIWCQGVFI-UHFFFAOYSA-N,3,1,0.424,7,535,419.38,2.361,5,0.391,0.74,1.0,0.5400075388938387,0.4680196696593791,0.07332430950585977,0.05872626961825783,0.28501944691933384
EOS-3-27943,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(C(F)(F)F)nc5)cn4)n23)cc1,DEOJQFXGOCPZOE-UHFFFAOYSA-N,3,1,0.518,27,343,463.423,4.55,5,0.378,0.73,1.0,0.8167620450962922,0.820608594338976,0.9305393735864574,0.8184668631348091,0.8465942190391338
EOS-3-27944,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(C)c5)n34)nn2C)cn1,KFMOFPUUMSXQPZ-UHFFFAOYSA-N,3,1,0.466,95,493,426.484,3.22,5,0.411,0.71,1.0,0.2258926735658968,0.08506956342951134,0.2229627852785964,0.1380131587965184,0.16798454526763074
EOS-3-27945,Cc1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cn2)cnn1C,HVXJHLWHHCGZJD-UHFFFAOYSA-N,3,1,0.31,42,339,463.48,4.158,6,0.387,0.69,1.0,0.1756476595161401,0.24291515317661572,0.4356281269275581,0.40069220752518675,0.31372078678637516
EOS-3-27946,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)cn1,MODQMFYIEYIQDT-UHFFFAOYSA-N,3,1,0.407,46,565,434.822,3.41,5,0.387,0.62,1.0,0.6977417586183263,0.6503580974573367,0.6583167706120211,0.6684857103694058,0.6687255842642725
EOS-3-27947,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)n5)cnn4)n23)cn1,FITHCTCXVROXJA-UHFFFAOYSA-N,3,1,0.426,4,205,473.884,2.63,5,0.369,0.69,1.0,0.43877218833527515,0.4549636762387773,0.19853848262627646,0.16584709752587212,0.31453036118155026
EOS-3-27948,Fc1ccccc1-c1cnnc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,POAASDBMBYSJFR-UHFFFAOYSA-N,3,1,0.457,54,207,448.849,3.452,5,0.389,0.62,1.0,0.6460660681241861,0.6894318415461586,0.4465680899184429,0.5735470495510931,0.5889032622849701
EOS-3-27949,Cn1cc(-c2cncc(-c3cncc4nnc(-c5cc(F)c(Cl)c(Cl)c5)n34)c2)nn1,VVGRFJAGSDMSDE-UHFFFAOYSA-N,3,1,0.338,50,859,441.257,4.095,5,0.392,0.68,1.0,0.1540076074292372,0.33830786101021176,0.8384877664313618,0.8893581659927352,0.5550403502158865
EOS-3-27951,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)cn1,GLULWGJDAUGAIP-UHFFFAOYSA-N,3,1,0.38,80,855,463.465,2.413,6,0.362,0.64,1.0,0.4645843328078953,0.2943424028510726,0.10397676649989719,0.07609142622164349,0.23474873209512714
EOS-3-27952,Fc1nc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)ccc1-c1nncnn1,SYMCDBWWVFLESV-UHFFFAOYSA-N,3,1,0.33,70,387,449.413,2.696,6,0.37,0.6,0.792,0.21765985881707903,0.2991998492221232,0.21267390857377835,0.27217976835035296,0.2504283462408334
EOS-3-27953,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ncccc4F)nn3)n12,MNVJCZNWMDEMQG-UHFFFAOYSA-N,3,1,0.387,54,411,452.812,3.549,5,0.373,0.65,0.927,0.7495288191350833,0.7134620656569118,0.6497755465698033,0.7166403947638955,0.7073517065314234
EOS-3-27954,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6n[nH]c(C)n6)cn5)n34)nc(C)n2)cn1,JTWNEOWTABDPQB-UHFFFAOYSA-N,3,1,0.26,86,652,462.481,2.811,6,0.414,0.62,0.999,0.07113974367760949,0.09441607840449592,0.04615859091220616,0.028527859639503803,0.060060568158453835
EOS-3-27955,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5F)c(F)n4)n23)nn1,FUKWNMOXSIMTJC-UHFFFAOYSA-N,3,1,0.443,4,237,432.394,3.204,5,0.39,0.65,1.0,0.5978085806318963,0.5404358851346721,0.48511925159344804,0.4450774450003427,0.5171102905900898
EOS-3-27956,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3cc(-c4cnc(Cl)nc4)cnn3)n12,RHVLXRKKIBIYBF-UHFFFAOYSA-N,3,1,0.321,50,844,435.278,4.321,5,0.39,0.7,0.996,0.25052258241381675,0.41477623192378865,0.6935782331574258,0.7760263175930368,0.5337258412720169
EOS-3-27957,Cc1ncc(-c2ncc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)cn2)s1,KGIHAIKSGDAERR-UHFFFAOYSA-N,3,1,0.422,52,800,484.545,3.153,6,0.383,0.85,1.0,0.0265060653827702,0.0034781714755671303,0.003975053114933864,0.00785587005688438,0.010453790007538892
EOS-3-27958,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nn4)n23)cc1,RBUVFELYBZLWPX-UHFFFAOYSA-N,3,1,0.337,3,498,463.48,4.333,6,0.375,0.74,1.0,0.1347405935165513,0.23243780412583098,0.3395243643341786,0.42933143718730726,0.284008549790967
EOS-3-27959,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4ncn(C)n4)n23)ccc1F,NWYMBRSLLJWYIG-UHFFFAOYSA-N,3,1,0.477,36,404,419.424,2.347,5,0.431,0.69,0.983,0.38504900280995136,0.4855818655335481,0.19162497429922554,0.14745390994448632,0.3024274381468028
EOS-3-27960,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5ccccc5Cl)n4)n23)cc1,FXEXGHLJDRJSFC-UHFFFAOYSA-N,3,1,0.292,10,748,470.859,3.684,6,0.383,0.67,0.678,0.039356452607771916,0.17638441505037353,0.3212511137002262,0.5445308751970392,0.27038071413885273
EOS-3-27961,NC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OCc4ccc(F)c(F)c4)n23)cc1,VNKHMYQOAXURAK-UHFFFAOYSA-N,3,1,0.489,62,3,458.428,3.809,5,0.415,0.63,1.0,0.5426461517373724,0.4373500788157083,0.8302378178329107,0.7406449181001987,0.6377197416215475
EOS-3-27962,Fc1cc(-c2cncnc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,OJLRWGOECQMUSH-UHFFFAOYSA-N,3,1,0.542,73,817,433.834,4.015,5,0.413,0.65,1.0,0.7523901720238503,0.8613700226166815,0.8136094167637585,0.8283016928243437,0.8139178260571586
EOS-3-27963,c1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1,VOCFRODKLYIFOE-UHFFFAOYSA-N,3,1,0.353,32,327,434.488,4.434,6,0.405,0.7,0.99,0.09064663148516208,0.1409430470838188,0.29554177232540607,0.35293160167226373,0.22001576314166266
EOS-3-27964,Cc1nccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccn(C)n5)c4)n23)c1F,BIDZJNYZABNCNR-UHFFFAOYSA-N,3,1,0.447,16,606,450.865,3.662,5,0.377,0.67,1.0,0.45748235213487765,0.5221883352751696,0.559959906791858,0.5075988623123844,0.5118073641285724
EOS-3-27965,COc1cc(-c2nnc3cncc(OCCc4cccs4)n23)ccc1-c1cnc(C)nc1,WZAWCXJCZPEERQ-UHFFFAOYSA-N,3,1,0.619,15,771,444.52,4.248,5,0.371,0.75,1.0,0.6947776026317593,0.5359468165307382,0.4170550339250223,0.2721883352751696,0.4799919470906724
EOS-3-27966,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)ccn1,GXAURFFOEIULRY-UHFFFAOYSA-N,3,1,0.444,54,873,430.859,3.313,5,0.378,0.64,1.0,0.6287266122952505,0.607437804125831,0.3810396819957508,0.4357052292509081,0.5132273319169351
EOS-3-27967,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5nncs5)n34)cc2)ccn1,OUUOSNNWPSDQTL-UHFFFAOYSA-N,3,1,0.517,15,922,426.465,3.198,5,0.407,0.66,1.0,0.8037831539990405,0.7758978137207868,0.3028065245699404,0.3336731546843945,0.5540401617435406
EOS-3-27968,Cn1ncc(-c2nnc3cncc(-c4cccc(-n5cc(F)cn5)n4)n23)c1-c1ccc(F)cc1,YNIDIJBXKSXAKL-UHFFFAOYSA-N,3,1,0.329,10,572,455.432,3.718,6,0.402,0.64,0.953,0.039365019532588585,0.21712870947844562,0.49181001987526557,0.5704029881433761,0.329676684257419
EOS-3-27970,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cn4)n23)n(C)n1,OUIKPSYTKCITGR-UHFFFAOYSA-N,3,1,0.391,7,662,417.408,2.403,5,0.429,0.72,1.0,0.40904495922143785,0.37207867863751626,0.1380388595709684,0.10239188540881365,0.25538859570968403
EOS-3-27971,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)ccn1,LDZCPAWZYBECJA-UHFFFAOYSA-N,3,1,0.63,11,503,446.873,4.662,5,0.353,0.76,1.0,0.7129737509423617,0.767459392776369,0.8369457199643616,0.8646682886710986,0.7955117880885477
EOS-3-27972,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3nccnc3-c3ccccn3)n12,CCCSLMGPQXQEHD-UHFFFAOYSA-N,3,1,0.3,64,114,453.466,3.968,6,0.395,0.69,0.97,0.10003598108423001,0.2073624151874443,0.3176273045027757,0.4102100609965047,0.25880894044273867
EOS-3-27973,Cc1nn(C)cc1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)nc4F)c3)n12,XZDMQHBMVURHDX-UHFFFAOYSA-N,3,1,0.433,2,36,450.865,3.662,5,0.377,0.7,1.0,0.4251936125008567,0.48120416695223084,0.5501507778767734,0.5177249674456857,0.4935683811938867
EOS-3-27974,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nc1,GLYQGAQZXITFHP-UHFFFAOYSA-N,3,1,0.654,84,73,446.873,4.662,5,0.377,0.74,1.0,0.859913645397848,0.8755311493386334,0.8352666027002947,0.8646768555959153,0.8588470632581728
EOS-3-27975,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)n(C)c1C,CETRHQGLGLHTJS-UHFFFAOYSA-N,3,1,0.44,65,349,427.472,2.615,5,0.407,0.65,1.0,0.34357651977246245,0.1232180796381331,0.029624426016037285,0.016260023302035503,0.12816976218216708
EOS-3-27976,Cc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)nn1,XKYJRUIQIYIIDT-UHFFFAOYSA-N,3,1,0.477,13,145,432.846,5.142,5,0.391,0.81,1.0,0.6580854636419711,0.7929545610307724,0.8530172709204304,0.8615327941881982,0.7913975224453431
EOS-3-27977,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4F)n23)nc1,CRAZHWMWLSUKDZ-UHFFFAOYSA-N,3,1,0.276,39,972,468.431,3.384,6,0.387,0.63,1.0,0.21473853745459529,0.2734733739976698,0.37739017202385033,0.45459529847166064,0.330049345486944
EOS-3-27978,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4cc(F)cc(F)c4)n23)nc1,FCCCWXKVIWCHIJ-UHFFFAOYSA-N,3,1,0.716,4,439,434.406,4.315,5,0.407,0.71,1.0,0.5273798917140703,0.6122095812487149,0.6773953121787403,0.6194657665684326,0.6091126379274896
EOS-3-27979,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccoc5)cc4)n23)nc1,QOCFHJXOVDWJBW-UHFFFAOYSA-N,3,1,0.308,38,818,433.475,4.822,6,0.396,0.76,1.0,0.09525563703652937,0.04845452676307313,0.5860290590089782,0.5346532108834213,0.31609810842300046
EOS-3-27980,Fc1cnc(-c2cnnc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)nc1,VKAJSMDMGQAUJB-UHFFFAOYSA-N,3,1,0.322,73,65,421.783,3.018,5,0.431,0.64,1.0,0.6580940305667877,0.6170670276197656,0.2919179631279556,0.3724127887053663,0.4848729525049688
EOS-3-27981,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)cn1,MDHUMQFYNQLILU-UHFFFAOYSA-N,3,1,0.412,18,720,462.876,3.761,5,0.375,0.65,0.999,0.7100095949557946,0.67451682544034,0.5536546501267905,0.5445394421218559,0.6206801281611952
EOS-3-27982,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccccn4)n23)cc(Cl)n1,CLHIKMYYRYYZRD-UHFFFAOYSA-N,3,1,0.573,11,275,447.861,4.057,5,0.362,0.7,0.957,0.8511753820848468,0.8283016928243437,0.533188266739771,0.5890531834692618,0.7004296312795558
EOS-3-27983,Fc1cccc(F)c1-c1nnc2cncc(-c3ccc(-c4nnnn4-c4ccccc4)o3)n12,IGDIOBLDOHJOEI-UHFFFAOYSA-N,3,1,0.305,10,298,442.389,3.972,6,0.407,0.68,1.0,0.09065519840997875,0.2480039065177164,0.5166541018436023,0.639803646083202,0.37377921321362484
EOS-3-27985,FC(F)(F)c1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)nn1,DTBSILHREPBRHH-UHFFFAOYSA-N,3,1,0.578,72,889,469.452,4.345,5,0.365,0.78,1.0,0.8553389075457474,0.8783839353025837,0.7947621821670893,0.6513432938112536,0.7949570797066685
EOS-3-27987,CCc1nc(COc2cncc3nnc(-c4cncc(-c5nccn5C)c4)n23)ccc1F,WSGVBMKSGKUIEW-UHFFFAOYSA-N,3,1,0.483,2,184,430.447,3.262,5,0.408,0.66,1.0,0.422760605852923,0.46802823658419573,0.2810551024604208,0.21642622164347886,0.3470675416352546
EOS-3-27988,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)cn1,GNOUIAJTUAWCHQ-UHFFFAOYSA-N,3,1,0.418,44,954,448.849,3.452,5,0.364,0.66,0.998,0.697750325543143,0.7041583853060106,0.4851278185182647,0.527645466383387,0.6036704989377013
EOS-3-27989,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)[nH]n4)n23)c1,VQFYLQIGIFNJMD-UHFFFAOYSA-N,3,1,0.439,87,304,436.838,3.385,5,0.434,0.62,0.822,0.5665735727503255,0.49969159070659996,0.4816068124186142,0.5671561236378589,0.5287570248783496
EOS-3-27990,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,IXMHMUOTAIRYIN-UHFFFAOYSA-N,3,1,0.346,52,269,482.523,4.076,6,0.391,0.86,1.0,0.19546295661709273,0.19805873483654307,0.10923685833733124,0.15803406209307108,0.16519815297100954
EOS-3-27991,COCc1cncc(COc2cncc3nnc(-c4ccc(-c5cnc(C)cn5)nc4)n23)n1,WWNDNMLUNMFBGG-UHFFFAOYSA-N,3,1,0.413,7,535,441.455,2.467,5,0.372,0.62,1.0,0.43185868000822425,0.2631930642176684,0.1289921869645672,0.07405249811527655,0.22452410732643413
EOS-3-27992,Fc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)c1,GJQKIPTYFGGKAD-UHFFFAOYSA-N,3,1,0.517,2,419,447.861,4.057,5,0.362,0.73,1.0,0.8665787129052156,0.8755397162634501,0.7777225687067371,0.7991398807484066,0.8297452196559523
EOS-3-27993,O=c1nc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)[nH]o1,SWPFQZKHUZNCFL-UHFFFAOYSA-N,3,1,0.484,20,846,436.819,2.199,5,0.424,0.62,1.0,0.3917654718662189,0.38636830923171817,0.2019395517784936,0.23977109176889863,0.3049611061613323
EOS-3-27994,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4C)n23)c(C)n1,WMWLRBQYJWISCR-UHFFFAOYSA-N,3,1,0.477,1,92,422.492,4.753,5,0.407,0.81,1.0,0.5400161058186553,0.29435096977588926,0.5331968336645878,0.4007007744500034,0.44206617092728395
EOS-3-27995,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)cc1F,MQUMWPVPLAKMTQ-UHFFFAOYSA-N,3,1,0.732,43,11,416.391,4.106,5,0.429,0.77,1.0,0.939860187786992,0.8422829141251457,0.8705451990953328,0.8514238229045302,0.8760280309780002
EOS-3-27996,Fc1ccnc(-c2cnnc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)c2)c1,SUFCZXVVVISJHD-UHFFFAOYSA-N,3,1,0.386,18,873,449.837,2.847,5,0.385,0.58,0.688,0.5951185662394627,0.5979370845041464,0.31369508601192514,0.4037077650606538,0.477614625454047
EOS-3-27997,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cn2)nc1C,FHIQJPBFPSUMGA-UHFFFAOYSA-N,3,1,0.517,65,981,430.497,3.338,5,0.404,0.67,1.0,0.4692533068329792,0.4283034062093071,0.06902371324789254,0.049251250771023235,0.25395791926530054
EOS-3-27998,Cn1nc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1-c1nnco1,QVJNOVPGEPDGLM-UHFFFAOYSA-N,3,1,0.306,70,813,422.412,2.699,6,0.421,0.66,1.0,0.0690579809471592,0.03474744705640463,0.09400486601329587,0.1087656774724145,0.07664399287231854
EOS-3-27999,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cc(Cl)ccc4F)n23)cc1,DMJYYEUYUNGISI-UHFFFAOYSA-N,3,1,0.346,62,331,474.887,3.853,5,0.411,0.7,1.0,0.3063703652936742,0.39564628880816943,0.4816153793434309,0.5177335343705024,0.42534139195394416
EOS-3-28000,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnnc5)nc4)n23)cn1,XYCLYZLYJVWHBS-UHFFFAOYSA-N,3,1,0.279,70,719,433.439,2.501,6,0.412,0.58,0.998,0.0452162291823727,0.04491638681378932,0.20912720169967788,0.20746521828524433,0.12668125899527105
EOS-3-28001,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)ncn4)n23)cn1,XMZAICSXUOXMSM-UHFFFAOYSA-N,3,1,0.29,99,566,451.429,2.64,6,0.372,0.62,0.984,0.164973271194572,0.23244637105064767,0.2410304297169488,0.2574446576656843,0.2239736824069632
EOS-3-28002,CCc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1nccn1C,HSTSSQSMAGXYFQ-UHFFFAOYSA-N,3,1,0.396,20,658,427.472,2.561,5,0.39,0.63,0.937,0.39177403879103556,0.17639298197519018,0.03317969981495442,0.02310499623055308,0.1561129292029333
EOS-3-28003,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc(C)no6)nc5)n34)nc2)n1,FDSUJAHHEQBWDG-UHFFFAOYSA-N,3,1,0.305,86,812,448.45,3.372,6,0.395,0.64,1.0,0.15401617435405388,0.11339181687341512,0.11782948392844904,0.09824549379754643,0.12087074223836612
EOS-3-28004,Cn1c(-c2nccnc2Cl)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,XFEXIALDRITHPB-UHFFFAOYSA-N,3,1,0.272,86,421,468.872,2.549,6,0.379,0.65,0.643,0.11287780138441506,0.1890805976286752,0.03065245699403742,0.07208210540744295,0.10117324035364267
EOS-3-28005,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)nc2F)n1,TVXYTURBUJGQNS-UHFFFAOYSA-N,3,1,0.418,18,773,446.421,3.246,5,0.366,0.65,1.0,0.8273764649441436,0.6941179494208759,0.41706360084983896,0.3946182578301693,0.583294068261257
EOS-3-28006,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nc2F)n1,PWYIGCQYTOUYGQ-UHFFFAOYSA-N,3,1,0.432,18,578,446.421,3.246,5,0.366,0.65,1.0,0.8533685148379138,0.7181310396819958,0.4170721677746556,0.37557398396271674,0.5910364265643204
EOS-3-28007,c1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)cc1,OTBHJLITMDGRJT-UHFFFAOYSA-N,3,1,0.289,30,541,417.436,3.496,6,0.433,0.71,0.998,0.013167363443218422,0.0347560139812213,0.23034747447056406,0.27830511959427046,0.13914399287231854
EOS-3-28008,FCc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ccn2)ccn1,RYVYZUFHKZGBLY-UHFFFAOYSA-N,3,1,0.483,13,110,434.381,4.788,5,0.396,0.75,1.0,0.7954218353779727,0.8283102597491604,0.9085223768076212,0.8934874237543692,0.8564354739222809
EOS-3-28009,Cc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c2)no1,MICGZMYQBSYTJG-UHFFFAOYSA-N,3,1,0.462,6,297,463.461,3.581,6,0.361,0.75,1.0,0.4692618737577959,0.3195291618120759,0.20913576862449454,0.16585566445068878,0.29094561716126377
EOS-3-28010,COc1c(F)cc(-c2cnccn2)nc1COc1cncc2nnc(-c3ccc(C)cc3)n12,OVYPFARBLLAMFO-UHFFFAOYSA-N,3,1,0.494,89,731,443.442,3.678,5,0.392,0.64,1.0,0.7756151052018367,0.6992581043108765,0.46788259886231237,0.3529401685970804,0.5739239942430265
EOS-3-28011,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C6CCCC6)n5)cnn4)n23)c(F)c1,KEDXBOUYKXTCGI-UHFFFAOYSA-N,3,1,0.336,74,295,470.472,2.86,6,0.413,0.65,0.452,0.07915838530601055,0.17189534644643958,0.008926735658967858,0.040050373517922004,0.075007710232335
EOS-3-28012,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)n2)nn1,ZPBKEGGXLVWEMZ-UHFFFAOYSA-N,3,1,0.329,86,136,454.454,3.363,6,0.395,0.6,0.767,0.23409122061544788,0.2992084161469399,0.16254026454663834,0.22207182509766293,0.2294779316016723
EOS-3-28013,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cn5)n34)c2)cn1,SBTRUCJJHIKZKT-UHFFFAOYSA-N,3,1,0.27,70,957,449.453,3.85,6,0.377,0.66,1.0,0.09768864368446302,0.19348399698444246,0.6201168528544994,0.5922572133506956,0.3758866767185251
EOS-3-28014,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)s5)n34)ccc2F)nc1,TXURWTMNJHQYOK-UHFFFAOYSA-N,3,1,0.512,4,82,436.447,4.475,5,0.404,0.72,1.0,0.906980330340621,0.8669984922212323,0.6909653210883421,0.6627715715166884,0.7819289287917209
EOS-3-28015,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)cn2)cc1,BOZGWBOVKLQCEW-UHFFFAOYSA-N,3,1,0.288,30,195,416.448,4.101,6,0.43,0.75,0.988,0.0023216366253169763,0.023987389486669865,0.5399647042697553,0.5606024261531081,0.28171903913371255
EOS-3-28016,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2F)nn1,XPAAQPBICJVLDA-UHFFFAOYSA-N,3,1,0.512,7,815,449.837,3.113,5,0.398,0.61,1.0,0.7611712699609349,0.8283188266739772,0.35090980741553013,0.37897505311493385,0.579843739291344
EOS-3-28017,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nn4)n23)c(-c2nccn2C)c1,RFJFRBNFGMMWPQ-UHFFFAOYSA-N,3,1,0.231,99,813,449.482,2.753,6,0.403,0.6,0.993,0.03489308477828799,0.013535741210335139,0.06483448701254198,0.0572698923994243,0.042633301350147354
EOS-3-28018,CC(C)(O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)ns4)n23)cn1,QJDTZPIFLFITHI-UHFFFAOYSA-N,3,1,0.405,82,974,450.915,3.648,5,0.412,0.66,0.427,0.2203841409087794,0.3910287163319855,0.3469176204509629,0.2783136865190871,0.30916104105270376
EOS-3-28019,OCc1cc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nc4)n23)ccc1Cl,ZOJWRELIBBZJDW-UHFFFAOYSA-N,3,1,0.529,97,214,449.923,4.64,5,0.406,0.75,1.0,0.8732951819614831,0.8129069289287917,0.8432081420053458,0.8242409704612432,0.838412805839216
EOS-3-28020,Clc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)c1,UIRYCAYYLJZREX-UHFFFAOYSA-N,3,1,0.333,10,705,451.881,4.149,6,0.397,0.66,1.0,0.021982729079569597,0.18462579672400795,0.39944143650195324,0.514520937564252,0.2801427249674457
EOS-3-28021,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)nn2C)cn1,CROVQMAOQVJZDS-UHFFFAOYSA-N,3,1,0.4,92,694,437.414,2.66,5,0.377,0.66,1.0,0.21766842574189568,0.18463436364882463,0.34692618737577957,0.29919128229730657,0.26210506476595163
EOS-3-28022,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)nn5)c4)n23)cn1,OURQFFUOUOILTG-UHFFFAOYSA-N,3,1,0.489,87,76,432.394,2.938,5,0.377,0.64,1.0,0.7756236721266534,0.6992666712356932,0.5860376259337948,0.5606109930779247,0.6553847405935166
EOS-3-28023,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)cn1,RKSZGBBLRMNSLV-UHFFFAOYSA-N,3,1,0.484,46,238,425.387,2.628,5,0.39,0.64,0.75,0.6916935096977589,0.5731101363854431,0.5954783770817628,0.5276540333082037,0.5969840141182922
EOS-3-28024,FC(F)n1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(F)(F)F)nn5)n34)nc2)n1,ZDXNXGRVOGYDNF-UHFFFAOYSA-N,3,1,0.321,50,542,461.318,2.711,5,0.371,0.65,0.395,0.14284490439311906,0.2785535604139538,0.6552669453772874,0.5241758618326365,0.4002103180042492
EOS-3-28025,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)nn2)c(F)cc1F,KSSJEONLWQQXBW-UHFFFAOYSA-N,3,1,0.263,10,887,468.431,3.478,6,0.387,0.66,0.759,0.028870536632170516,0.16769755328627237,0.5434086080460558,0.5735556164759098,0.32838307861010213
EOS-3-28026,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)[nH]n2)cn1,LJKMCMHVRPFLCV-UHFFFAOYSA-N,3,1,0.45,58,963,432.875,3.555,5,0.409,0.66,1.0,0.5220855321773696,0.5543228702624906,0.4607463504900281,0.44191624974299226,0.49476775066822015
EOS-3-28027,Cc1cc(F)cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)n(C)n2)n1,FRDJKBVYMZKOJT-UHFFFAOYSA-N,3,1,0.462,31,493,430.447,3.051,5,0.408,0.66,1.0,0.3759851963539168,0.23757795901583167,0.24817524501404975,0.2338427797957645,0.2738952950448907
EOS-3-28028,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cn2)nn1,PBDQSWONTIBESL-UHFFFAOYSA-N,3,1,0.306,76,368,444.462,3.471,6,0.402,0.59,0.994,0.10274312932629703,0.09741450209032966,0.25517442258926737,0.2426581454321157,0.17449754985950244
EOS-3-28029,N#Cc1ccc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)n2)nn1,CCZQSTJLACJREC-UHFFFAOYSA-N,3,1,0.272,76,176,455.445,3.034,6,0.389,0.6,0.771,0.1902028647796587,0.13008018641628402,0.19163354122404222,0.23977965869371531,0.18792406277842505
EOS-3-28030,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)n4)n23)ccn1,MUIUBSOAHWDRCC-UHFFFAOYSA-N,3,1,0.506,27,420,452.4,3.58,5,0.402,0.64,1.0,0.5452590638064561,0.5311579055582208,0.8136179836885752,0.6163731067096155,0.626602014940717
EOS-3-28031,Cc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)cc(Cl)n1,GCXXUICJEPEFIZ-UHFFFAOYSA-N,3,1,0.326,8,973,467.884,3.248,6,0.359,0.68,1.0,0.031192173257487493,0.1334641217188678,0.13177643752998425,0.19327839078884243,0.12242778082379549
EOS-3-28032,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nc(C)n[nH]1,OBRQVQRMPLUFIQ-UHFFFAOYSA-N,3,1,0.396,31,717,447.89,3.47,5,0.42,0.66,0.969,0.4458741690082928,0.45032040298814335,0.14391576999520253,0.15804262901788774,0.2995382427523816
EOS-3-28033,CC(C)(O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cn1,BJXSKWYNNSTLBH-UHFFFAOYSA-N,3,1,0.467,7,817,458.457,2.984,5,0.409,0.67,1.0,0.7039099444863272,0.7181396066068124,0.5988366116098965,0.37898362003975056,0.5999674456856966
EOS-3-28034,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cc(F)c2F)cn1,PJTLEPSACIWOAK-UHFFFAOYSA-N,3,1,0.598,35,545,433.422,3.487,5,0.408,0.65,1.0,0.6521742855184703,0.5543314371873073,0.8136265506133918,0.7510023302035501,0.6927836508806798
EOS-3-28035,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)c(F)c2)cn1C,AYLUOUJLXNHIIR-UHFFFAOYSA-N,3,1,0.346,9,340,452.453,4.356,6,0.392,0.69,1.0,0.3240439311904599,0.37208724556233297,0.570145980398876,0.5177421012953191,0.446004814611747
EOS-3-28036,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cc4F)n23)cc1,KTAPDNBVYLKVGU-UHFFFAOYSA-N,3,1,0.4,25,228,466.455,4.594,6,0.378,0.77,1.0,0.27669453772873687,0.4461140429031595,0.7588667671852511,0.8283102597491604,0.577496401891577
EOS-3-28037,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5F)n34)n2)n1,BKEWNLKUQCZFQP-UHFFFAOYSA-N,3,1,0.314,98,259,453.445,2.583,6,0.4,0.58,1.0,0.17862038242752382,0.26832465218285245,0.1317850044548009,0.15518984305393735,0.18347997052977863
EOS-3-28038,Cc1cc(CO)cnc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)c(F)c1,JLIONSXHDOEALI-UHFFFAOYSA-N,3,1,0.543,11,275,456.481,3.81,5,0.398,0.69,1.0,0.7981375505448565,0.7800527722568706,0.6410372832568021,0.5575868686176411,0.6942036186690426
EOS-3-28039,Cc1nc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)ccc1-c1cncn1C,IKLQOEKZUXHGSS-UHFFFAOYSA-N,3,1,0.432,31,690,446.902,3.565,5,0.393,0.61,0.938,0.5374374614488383,0.495022616681516,0.3695000342676993,0.36281783291069836,0.441194486327188
EOS-3-28040,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nn5)c(F)c4)n23)n1,SADFYXBUURQBSR-UHFFFAOYSA-N,3,1,0.333,98,746,469.419,2.779,6,0.383,0.62,0.997,0.18436878897950792,0.27348194092248646,0.2587553971626345,0.34983894181344666,0.2666112672195189
EOS-3-28042,CCn1nccc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)nc1,RAGKPHIOGIDVOE-UHFFFAOYSA-N,3,1,0.247,30,543,446.478,3.589,6,0.395,0.63,1.0,0.05983996984442465,0.011342608457268179,0.10648687547118087,0.147462476869303,0.08128298266054418
EOS-3-28043,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(COc4ccccn4)n23)n1,YVBGPLQALDPRED-UHFFFAOYSA-N,3,1,0.392,44,500,413.416,3.67,5,0.434,0.79,1.0,0.45749091905969436,0.517536495099719,0.4280720992392571,0.4165667192104722,0.45491655815228565
EOS-3-28044,Cn1nncc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,KDJTUFDUQZBENA-UHFFFAOYSA-N,3,1,0.489,67,611,450.466,2.951,6,0.411,0.6,1.0,0.4340004112123912,0.2577702008087177,0.33230244671372766,0.27832225344390377,0.3255988280446851
EOS-3-28045,Fc1ccncc1CCOc1cncc2nnc(-c3cnnc(-c4ccccc4F)c3)n12,WZYYIHNKBABHSI-UHFFFAOYSA-N,3,1,0.552,84,778,431.406,3.543,5,0.406,0.63,1.0,0.8322253443903777,0.7843962031389212,0.727383318483997,0.7613254746076349,0.7763325851552326
EOS-3-28046,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1F,RPJAZWXPBXQSRV-UHFFFAOYSA-N,3,1,0.5,24,583,431.406,3.543,5,0.406,0.63,1.0,0.8167706120211089,0.7227486121581796,0.5891388527174286,0.5922657802755124,0.6802309642930574
EOS-3-28047,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)nn1,ZAQSBHGFAAKLDD-UHFFFAOYSA-N,3,1,0.456,53,875,417.82,2.666,5,0.425,0.67,1.0,0.44346686313480915,0.5404444520594888,0.2847303132067713,0.32401823041600986,0.39816496470426976
EOS-3-28048,Fc1ccc(-c2nnccc2-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc1,XMYJCVMTYBDOMK-UHFFFAOYSA-N,3,1,0.397,9,340,436.41,4.104,6,0.406,0.63,1.0,0.35270886162703036,0.48559043245836475,0.6230981426906997,0.6597131793571379,0.5302776540333082
EOS-3-28049,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ccn1,GWUAWUKOWBSYSB-UHFFFAOYSA-N,3,1,0.511,65,359,435.398,2.277,5,0.4,0.59,0.794,0.5802892193818107,0.40543828387362074,0.33953293125899525,0.33368172160921117,0.41473553903090943
EOS-3-28050,CCn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,KANBQLAIKKIEFQ-UHFFFAOYSA-N,3,1,0.288,38,787,445.49,4.194,6,0.392,0.66,1.0,0.05451134260845727,0.05978856829552464,0.284738880131588,0.31505722705777534,0.1785240045233363
EOS-3-28051,Clc1cc(-c2nccnc2-c2nnc3cncc(-c4cncc(-c5nn[nH]n5)c4)n23)ccn1,FHNZFCRHBUZRJN-UHFFFAOYSA-N,3,1,0.244,86,953,454.845,2.539,6,0.393,0.61,0.959,0.19021143170447535,0.22256870673702966,0.16254883147145502,0.26358714275923517,0.20972902816804878
EOS-3-28052,Fc1c(Cl)cccc1-n1cc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nn1,SBQMLGPJFZHNSK-UHFFFAOYSA-N,3,1,0.261,10,872,470.859,3.684,6,0.383,0.69,0.369,0.03490165170310466,0.17640154890000687,0.4395260777191419,0.579946542389144,0.30769395517784937
EOS-3-28053,Cc1noc(C)c1-c1cc(Cc2cncc3nnc(-c4ccc(F)cc4F)n23)ncn1,ZMUSFTVXGIFPOZ-UHFFFAOYSA-N,3,1,0.379,85,81,419.395,3.722,5,0.438,0.69,1.0,0.3317198958261942,0.43289527791104104,0.44300424919470904,0.4701699677883627,0.41944734768007674
EOS-3-28054,Cc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,BAASWFNENPOPHF-UHFFFAOYSA-N,3,1,0.449,54,873,444.886,3.622,5,0.391,0.62,0.989,0.5776077719141937,0.5543400041121239,0.29192653005277225,0.3336902885340278,0.43939114865327944
EOS-3-28055,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccnc4Oc4ccccc4)n23)cc1,OSNRUAYFZLKZIZ-UHFFFAOYSA-N,3,1,0.398,93,774,446.474,4.441,6,0.386,0.7,1.0,0.17565622644095674,0.08832499485984512,0.4066547871975876,0.3884672058118018,0.2647758035775478
EOS-3-28056,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cc5F)n34)cn2)no1,FQJPQZKDEOZPHU-UHFFFAOYSA-N,3,1,0.34,32,693,440.398,4.006,6,0.4,0.68,1.0,0.2878144061407717,0.3720958124871496,0.39577479268041943,0.4037163319854705,0.36485033582345283
EOS-3-28057,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5nccc(C)n5)n34)nn2C)cn1,HYMFOAVUZUXYMO-UHFFFAOYSA-N,3,1,0.371,31,569,428.46,2.01,5,0.4,0.69,1.0,0.22590124049071345,0.03167192104722089,0.01771640052086903,0.008181413199917758,0.07086774381468029
EOS-3-28058,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)ccc2F)no1,URNMYZIKPBWHMU-UHFFFAOYSA-N,3,1,0.511,73,10,439.357,3.541,5,0.41,0.67,1.0,0.6768384620656569,0.754643273250634,0.5265574669316702,0.5671646905626756,0.6313009732026591
EOS-3-28059,Clc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cocn6)cn5)n34)nn2)c1,CDYFGOLIWOEKPD-UHFFFAOYSA-N,3,1,0.279,70,37,442.83,3.137,6,0.404,0.6,1.0,0.02768830100747036,0.08507813035432801,0.2774227263381537,0.36918305804948254,0.18984305393735865
EOS-3-28060,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)cnn2)o1,AFSQNEHMMMQBKH-UHFFFAOYSA-N,3,1,0.419,81,826,464.449,2.976,6,0.359,0.7,0.866,0.44811013638544306,0.2429237201014324,0.0797066684942773,0.08832499485984512,0.21476637996024947
EOS-3-28061,Fc1ncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1-c1cncnc1,DUUGTYPQDKDCCH-UHFFFAOYSA-N,3,1,0.453,7,535,451.372,3.089,5,0.384,0.65,1.0,0.6828267425125077,0.7844047700637379,0.6315022959358508,0.5410270029470221,0.6599402028647796
EOS-3-28062,Clc1cc(-c2nnc3cncc(OCc4cnccn4)n23)ncc1-c1ccccc1,QHJITBPXKTXZQT-UHFFFAOYSA-N,3,1,0.437,97,700,415.844,3.876,5,0.43,0.77,1.0,0.5530378315399904,0.6122181481735316,0.539973271194572,0.6135631553697485,0.5796981015694607
EOS-3-28063,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)ccn2)c1,YTUDQAKDORAUCN-UHFFFAOYSA-N,3,1,0.605,84,73,444.445,4.456,5,0.385,0.7,1.0,0.8533770817627304,0.7844133369885546,0.854473648139264,0.8204115550681927,0.8281689054896855
EOS-3-28064,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cncnc5Cl)n34)ccc2F)n1,AFSZBNFLCADQHW-UHFFFAOYSA-N,3,1,0.489,16,772,449.837,3.113,5,0.373,0.62,1.0,0.8811082173942841,0.8387533411006785,0.42808066616407375,0.4607806181892948,0.6521807107120827
EOS-3-28065,FC(F)Oc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cc1,OHMWODHGKUYDJU-UHFFFAOYSA-N,3,1,0.395,27,542,457.351,3.368,5,0.357,0.71,0.757,0.20116852854499348,0.4680368035090124,0.792629017887739,0.7587382633130012,0.5551431533136866
EOS-3-28066,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(Oc4ncccn4)cc3)n12,XZENWGULTDEEHX-UHFFFAOYSA-N,3,1,0.551,11,490,463.86,4.183,5,0.354,0.74,1.0,0.9170807346994723,0.8941899115893359,0.6020406414913303,0.5766140086354602,0.7474813241038997
EOS-3-28067,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6nnco6)n5)n34)cc2)n1,LTXOPMUSOGJWRA-UHFFFAOYSA-N,3,1,0.418,71,428,454.41,2.569,6,0.363,0.67,1.0,0.4717377150298129,0.3286186690425605,0.0532520046604071,0.03645226509492153,0.22251516345692549
EOS-3-28069,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)nc3)n12,PIPJQOCBLZDWJI-UHFFFAOYSA-N,3,1,0.303,8,754,463.509,3.236,6,0.382,0.65,1.0,0.11288636830923172,0.04492495373860599,0.028450757316153794,0.02936741827153725,0.053907374408882186
EOS-3-28070,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3nnc(-c4ccccc4)s3)n12,ODLZHAVCAQAPFD-UHFFFAOYSA-N,3,1,0.359,30,641,452.478,4.573,6,0.387,0.73,1.0,0.17566479336577343,0.39103728325680215,0.3430967719827291,0.43571379617572475,0.3363781611952573
EOS-3-28071,Cc1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)n2)n(C)n1,HEKNMFKDBLEWCV-UHFFFAOYSA-N,3,1,0.3,33,432,412.417,1.451,5,0.467,0.74,0.966,0.04368274964018916,0.014872181481735317,0.02845932424097046,0.012062230141868274,0.024769121376190802
EOS-3-28072,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)n2)n1,JZMAVPPNRDXODZ-UHFFFAOYSA-N,3,1,0.26,99,813,436.443,1.839,6,0.406,0.59,1.0,0.02112603659790282,0.02399595641148653,0.03582687958330478,0.0322544719347543,0.028300836131862107
EOS-3-28073,Cc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1cnn(C)c1,HKCRMLPICYPXIU-UHFFFAOYSA-N,3,1,0.524,13,573,435.85,4.48,5,0.414,0.7,1.0,0.4743763278733466,0.5359553834555548,0.7613854430813515,0.7485007881570831,0.630054485641834
EOS-3-28074,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)s2)n1,JAEQUSCDFRHQBT-UHFFFAOYSA-N,3,1,0.325,76,507,456.47,3.306,6,0.397,0.62,0.975,0.18718730724419164,0.3333647453909944,0.14686279213213624,0.23978822561853197,0.2268007675964636
EOS-3-28075,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)s2)n1,QGWXZRLGFYXXIH-UHFFFAOYSA-N,3,1,0.26,99,601,439.468,2.562,6,0.407,0.59,1.0,0.06325817284627511,0.07119971215132616,0.02846789116578713,0.03226303885957097,0.048797203755739836
EOS-3-28076,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nc(C(F)F)no5)cc4F)n23)c(F)c1,KLUABTXLYOJLNA-UHFFFAOYSA-N,3,1,0.366,96,315,451.343,4.596,5,0.368,0.75,1.0,0.41126379274895486,0.6074463710506477,0.9411366595846755,0.9331865533548077,0.7232583441847714
EOS-3-28077,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2C)cn1,GTQXTISKXLAUNH-UHFFFAOYSA-N,3,1,0.438,95,493,462.901,3.265,5,0.363,0.71,1.0,0.36891748338016583,0.3142947707490919,0.31763587142759236,0.26654273182098553,0.3168477143444589
EOS-3-28078,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cnc(F)c(C#N)c5)n34)nc2)CC1,ZUFMPZFZVHJWDG-UHFFFAOYSA-N,3,1,0.286,63,108,414.404,2.541,5,0.509,0.7,0.995,0.13742204098416833,0.17190391337125627,0.18513124528819136,0.28114933863340413,0.19390163456925502
EOS-3-28079,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)c(F)c6)n5)n34)nc2)nc1,SEZPBOLLWFGDNH-UHFFFAOYSA-N,3,1,0.273,10,871,471.406,3.913,6,0.384,0.67,0.597,0.05984853676924131,0.23758652594064836,0.7141731204166952,0.7736961140429032,0.44632607429237203
EOS-3-28080,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cc[nH]n6)ccn5)n34)cn2)nc1,NODBNPJHDYOAET-UHFFFAOYSA-N,3,1,0.464,80,930,466.44,3.147,6,0.393,0.67,1.0,0.5802977863066274,0.5836131862106778,0.3469347543005963,0.3087948050167912,0.4549101329586732
EOS-3-28081,Fc1ccc(-c2nnccc2-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nc1,MGNNYOGQVVSVMW-UHFFFAOYSA-N,3,1,0.302,3,787,435.426,3.84,6,0.448,0.58,1.0,0.36892605030498254,0.3770988965800836,0.5633010074703585,0.6040881365225139,0.47835352271948467
EOS-3-28082,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)c2)n1,GUDYBUIDNGWYKX-UHFFFAOYSA-N,3,1,0.633,37,393,416.42,2.742,5,0.42,0.71,1.0,0.7039185114111438,0.6554639846480708,0.3847320265917346,0.3401668836954287,0.5210703515865945
EOS-3-28083,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)nc2F)n1,IJTRASBOTJJQEN-UHFFFAOYSA-N,3,1,0.435,59,910,437.385,3.583,5,0.391,0.66,1.0,0.6090141182920978,0.5637807552600919,0.8282331574258104,0.7991484476732232,0.7000441196628059
EOS-3-28084,COc1cc(-c2ccc(F)nn2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,GJYYJPBRHPPTLL-UHFFFAOYSA-N,3,1,0.516,72,161,461.432,3.552,5,0.363,0.67,1.0,0.7896819957508053,0.6894404084709752,0.7014940716880269,0.6040967034473306,0.6961782948392845
EOS-3-28085,Fc1nnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncccn6)nn5)n34)nc2)o1,MEDMMPSMDBQCID-UHFFFAOYSA-N,3,1,0.255,99,618,428.351,1.413,6,0.401,0.62,0.994,0.021134603522719484,0.0912548831471455,0.03186896031800425,0.03882530326913851,0.045770937564251934
EOS-3-28086,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cn1,VXINUEGDKXWUJQ-UHFFFAOYSA-N,3,1,0.512,57,709,433.393,4.85,5,0.397,0.79,1.0,0.9369131656500582,0.9434325954355425,0.9624940031526283,0.963299294085395,0.951534764580906
EOS-3-28087,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cnccn5)n4)n23)cn1,RKBUXIRCJDFCKV-UHFFFAOYSA-N,3,1,0.39,80,816,464.453,1.808,6,0.355,0.64,1.0,0.3689346172297992,0.21222842848331164,0.041429648413405525,0.03341100678500446,0.1640009252278802
EOS-3-28088,Cc1ncccc1-c1nccnc1-c1nnc2cncc(-c3cc(-c4ccnc(F)c4)ncn3)n12,KUGFSZOQHVTZOJ-UHFFFAOYSA-N,3,1,0.248,39,449,462.452,3.61,6,0.362,0.67,0.804,0.2313155369748475,0.22778596395038037,0.2919350969775889,0.30880337194160784,0.26495999246110613
EOS-3-28089,COc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)nnc1OC,RHYMFLIAMJBUAX-UHFFFAOYSA-N,3,1,0.467,18,393,456.466,2.677,5,0.344,0.67,0.833,0.36667294907819886,0.10389966417654718,0.13483482968953464,0.06839832773627579,0.1684514426701391
EOS-3-28090,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nc(F)ccc5F)n34)ccn2)cc1,POJQFSZBSAGBJL-UHFFFAOYSA-N,3,1,0.535,11,275,448.408,4.287,5,0.361,0.74,1.0,0.9566427935028442,0.9501833321910766,0.8432167089301624,0.8598194092248647,0.902465560962237
EOS-3-28091,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)ccn4)n23)ccc1Cl,HFVDJUDZPNQORN-UHFFFAOYSA-N,3,1,0.523,4,677,445.914,4.436,5,0.398,0.72,1.0,0.55049345486944,0.6357600575697347,0.5954869440065794,0.5210318004249195,0.5756930642176684
EOS-3-28092,Cc1cc(-c2nnc3cncc(OCc4nnc(-c5ncc(F)cn5)s4)n23)ccn1,BDVPXWVUVMRWGT-UHFFFAOYSA-N,3,1,0.5,7,775,421.421,2.521,5,0.422,0.67,1.0,0.47689500376944693,0.4950311836063327,0.03583544650812145,0.04511342608457268,0.26321876499211844
EOS-3-28093,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)s1,DBSVQNHUNNGUDD-UHFFFAOYSA-N,3,1,0.314,42,151,455.482,4.005,6,0.396,0.68,1.0,0.0028442190391337126,0.09442464532931259,0.17546775409499007,0.24529675827564937,0.12950834418477145
EOS-3-28094,Fc1cncc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c1,AQLUORKVQZDFHS-UHFFFAOYSA-N,3,1,0.519,13,284,418.819,4.833,5,0.416,0.82,1.0,0.9003923651566034,0.9600695634295113,0.8811424850935509,0.9036392296621205,0.9113109108354465
EOS-3-28095,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccccc1,DJNSHFOWDCHPMW-UHFFFAOYSA-N,3,1,0.495,1,418,444.882,4.489,5,0.381,0.73,1.0,0.7343996299088479,0.7088273593310945,0.6612637927489549,0.6369594270440683,0.6853625522582414
EOS-3-28096,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cn5)n4C)n23)cn1,VLAHJTSNZRTASG-UHFFFAOYSA-N,3,1,0.318,99,754,469.9,3.098,6,0.386,0.66,0.996,0.1484733739976698,0.2836937153039545,0.09883661160989651,0.16586423137550546,0.17421698307175656
EOS-3-28097,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)nc1F,TUNUCZMGGUHPSF-UHFFFAOYSA-N,3,1,0.443,31,814,450.865,3.396,5,0.366,0.65,0.917,0.6581025974916044,0.5933452128024125,0.4711465972174628,0.4944057980947159,0.5542500514015489
EOS-3-28098,CCn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cn1,YNHUCHDVQRCJNO-UHFFFAOYSA-N,3,1,0.295,38,167,446.478,3.589,6,0.395,0.62,1.0,0.06326673977109176,0.08162565965321088,0.14392433692001919,0.18496847371667466,0.11844630251524912
EOS-3-28099,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnc6F)n5)n34)cc2)nn1,KIXIINHXIVNIHY-UHFFFAOYSA-N,3,1,0.311,98,63,451.429,2.64,6,0.372,0.61,1.0,0.11565348502501542,0.18464293057364128,0.21959598382564594,0.2545490370776506,0.1936103591254883
EOS-3-28100,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)s1,MSRCEDDEADOAGU-UHFFFAOYSA-N,3,1,0.544,58,981,416.47,3.03,5,0.416,0.78,1.0,0.5505020217942568,0.4997001576314166,0.08697998766362826,0.07962099924611062,0.3042007915838531
EOS-3-28101,CCn1cnnc1-c1cccc(-c2nnc3cncc(OCc4cncc(C(F)F)n4)n23)c1,ISONPLNWOFULQZ-UHFFFAOYSA-N,3,1,0.452,36,734,449.425,3.376,5,0.372,0.65,1.0,0.3366887122198616,0.34828832842162977,0.377398738948667,0.3022582413816736,0.341158505242958
EOS-3-28102,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)nc1,AKFLAJJPOUSCEF-UHFFFAOYSA-N,3,1,0.494,2,422,429.871,4.184,5,0.413,0.69,1.0,0.527388458638887,0.6074549379754643,0.6110530463984648,0.5952385031868961,0.5852837365499279
EOS-3-28103,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4F)n23)nn1,RVFSMWBENVGGOI-UHFFFAOYSA-N,3,1,0.5,37,132,461.888,4.366,5,0.371,0.71,1.0,0.8665872798300323,0.9160441367966554,0.5954955109313961,0.6369679939688849,0.7537737303817421
EOS-3-28104,Cc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1,MSKDKONOZCURRS-UHFFFAOYSA-N,3,1,0.309,32,327,443.474,4.076,6,0.401,0.64,0.729,0.14539784798848604,0.10390823110136385,0.317644438352409,0.3022668083064903,0.2173043314371873
EOS-3-28105,Cc1c(F)ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)nn4)n23)c1F,SVLBFRXRGBYCEQ-UHFFFAOYSA-N,3,1,0.438,19,691,448.408,4.553,5,0.393,0.75,0.998,0.8273850318689603,0.7929631279555891,0.9094219039133713,0.9060551024604208,0.8589562915495854
EOS-3-28106,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccn4)n23)nc1,MCRMHUCTFDAUMU-UHFFFAOYSA-N,3,1,0.461,46,267,417.379,3.501,5,0.404,0.73,1.0,0.5636608183126585,0.5784815982454938,0.745176821328216,0.7299105613049139,0.6543074497978205
EOS-3-28107,COc1ncc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ncc(F)cn1,YTZCYIWFTQMGLA-UHFFFAOYSA-N,3,1,0.518,65,657,444.43,2.808,5,0.374,0.65,1.0,0.77563223905147,0.6122267150983483,0.27743129326297034,0.19582276745939278,0.4652782537180454
EOS-3-28108,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ncc5F)ncn4)n23)cc1,WMARRIVXGDAPQG-UHFFFAOYSA-N,3,1,0.442,89,675,474.431,2.86,5,0.373,0.68,1.0,0.6460746350490028,0.4054468507984374,0.5891474196422453,0.4419248166678089,0.5206484305393736
EOS-3-28109,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)on2)n1,IPELHURKICNMLZ-UHFFFAOYSA-N,3,1,0.511,36,404,427.787,2.341,5,0.415,0.64,1.0,0.6287351792200672,0.7227571790829964,0.16899972585840586,0.27519532588582,0.4489218525118224
EOS-3-28110,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)nc1,FWCNHLKZSNLWPV-UHFFFAOYSA-N,3,1,0.542,37,795,438.423,3.0,5,0.399,0.62,1.0,0.5580580494825578,0.5933537797272291,0.32843876362141045,0.3820848468233843,0.4654838599136454
EOS-3-28111,COc1cc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)nn1C,WLSISRQPNGCKCN-UHFFFAOYSA-N,3,1,0.467,72,55,447.886,3.828,5,0.365,0.72,1.0,0.49170721677746554,0.5175450620245357,0.5536632170516071,0.45773079295456104,0.5051615722020423
EOS-3-28112,Cc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)c(Cl)n1,SIHYDSVCXFJHNS-UHFFFAOYSA-N,3,1,0.536,15,438,445.914,4.17,5,0.365,0.72,1.0,0.5017305188129669,0.5637893221849085,0.5701545473236926,0.5276626002330204,0.5408342471386471
EOS-3-28113,Fc1cnc(-c2ncns2)nc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,WUXONHOMOARAHT-UHFFFAOYSA-N,3,1,0.383,46,128,441.839,2.866,5,0.405,0.65,0.997,0.535021588650538,0.5784901651703105,0.10138955520526352,0.1932869577136591,0.35204706668494273
EOS-3-28114,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5N(C)C)cc4F)n23)cn1,QWDFOXYVQQUUEU-UHFFFAOYSA-N,3,1,0.33,82,478,470.468,3.302,5,0.357,0.71,0.982,0.21767699266671237,0.22779453087519705,0.2991313138235899,0.15263689945857034,0.22430993420601741
EOS-3-28115,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,HOOVIJWILJQDPY-UHFFFAOYSA-N,3,1,0.553,35,265,449.396,3.682,5,0.391,0.62,1.0,0.952753409636077,0.9479816325131931,0.8136351175382085,0.7969124802960729,0.8778206599958879
EOS-3-28116,Fc1cnc(F)c(-c2cc(-c3nnc4cncc(CNc5ccc(Cl)cc5)n34)ccn2)c1,NTWHUIWNFLQPDD-UHFFFAOYSA-N,3,1,0.365,14,291,449.852,4.792,5,0.388,0.74,1.0,0.2505311493386334,0.27856212733877045,0.8691059557261326,0.8824703584401343,0.5701673977109176
EOS-3-28117,FCc1ccn(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)n1,BHZIDPJRAWFCLC-UHFFFAOYSA-N,3,1,0.505,73,10,454.828,3.608,5,0.386,0.65,1.0,0.4364762524844082,0.6306970050030841,0.5367178397642383,0.607360701802481,0.5528129497635529
EOS-3-28118,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cn2)cc1Cl,YELXDRJJZODQAS-UHFFFAOYSA-N,3,1,0.298,10,705,469.871,4.289,6,0.379,0.72,1.0,0.03769446919333836,0.22257727366184635,0.7042097868549105,0.7809437324378041,0.43635631553697485
EOS-3-28119,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)c[nH]1,RLLSCVNBTXUQKB-UHFFFAOYSA-N,3,1,0.446,55,617,432.835,2.078,5,0.429,0.72,0.91,0.4692704406826126,0.49503975053114935,0.2159893084778288,0.207473785210061,0.34694332122541294
EOS-3-28120,Cc1nc(-c2ccncc2)cc(-c2cncc3nnc(-c4ccc(-c5nc(C)nn5C)cc4)n23)n1,RETIXWQZFGJCAR-UHFFFAOYSA-N,3,1,0.329,38,193,460.505,3.723,6,0.391,0.65,1.0,0.05451990953327394,0.026351860736070182,0.14393290384483587,0.1205023644712494,0.08632675964635735
EOS-3-28121,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c2)c1,VIYVCGYFDHBCTA-UHFFFAOYSA-N,3,1,0.429,59,153,450.836,4.759,5,0.384,0.76,1.0,0.789690562675622,0.7674679597011856,0.935088410664108,0.9481358371598931,0.8600956925502021
EOS-3-28122,c1ncc(-c2n[nH]c(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)cn1,WYSPPXYYNQZZQN-UHFFFAOYSA-N,3,1,0.275,42,725,424.453,3.157,6,0.458,0.63,0.977,0.10533890754574737,0.19806730176135975,0.17219518881502296,0.2105835789185114,0.17154624426016038
EOS-3-28123,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)o2)c1,BSIDAQLBVORMEW-UHFFFAOYSA-N,3,1,0.367,32,944,453.853,4.014,6,0.389,0.67,0.986,0.15935336851483792,0.35800322116373107,0.3284473305462271,0.4357223631005414,0.3203815708313344
EOS-3-28124,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)nc1,ZTHSBUUHXFWZGW-UHFFFAOYSA-N,3,1,0.469,87,307,427.443,3.712,5,0.408,0.68,1.0,0.737260982797615,0.6795798780069906,0.5332054005894045,0.4912703036118155,0.6103291412514563
EOS-3-28125,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5C)n34)cn2)n1,CFYKFQHUFFHMAG-UHFFFAOYSA-N,3,1,0.479,65,981,425.456,2.672,5,0.405,0.66,1.0,0.49411452265094924,0.43735864574052497,0.11489102871633199,0.08476115413611131,0.28278133781097936
EOS-3-28126,Cn1c(F)nnc1-c1nc(COc2cncc3nnc(-c4ccncc4)n23)ccc1F,KSKYWTRSEXHXDT-UHFFFAOYSA-N,3,1,0.542,36,486,421.371,2.234,5,0.425,0.64,0.999,0.4411623603591255,0.4768693029949969,0.15943047083818793,0.18766705503392503,0.3162822973065588
EOS-3-28127,Fc1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1-c1ccccn1,CNYWQPBEEWWBBO-UHFFFAOYSA-N,3,1,0.57,11,595,446.873,4.662,5,0.377,0.72,1.0,0.9551949832088273,0.9591700363237612,0.8400469467479953,0.8630662737303817,0.9043695600027414
EOS-3-28128,CCc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nc1,CBTBVIKHGDMQJQ-UHFFFAOYSA-N,3,1,0.68,90,400,414.296,4.677,4,0.459,0.84,1.0,0.957550887533411,0.9715749434582962,0.7777311356315537,0.8012644781029402,0.8770303611815502
EOS-3-28129,CC(O)Cc1ccc(-c2nnc3cncc(Cc4cccc(-c5cncnn5)n4)n23)cn1,JYICOMLEQCRWDF-UHFFFAOYSA-N,3,1,0.308,85,60,425.456,1.947,5,0.434,0.6,1.0,0.12943766705503393,0.11623603591254883,0.20914433554931122,0.15805119594270442,0.1532173086148996
EOS-3-28130,CCOc1cc(Cl)ccc1-c1nnc2cncc(-c3nnc(-c4cncnc4)n3C)n12,SIIQHMWOOVGLLI-UHFFFAOYSA-N,3,1,0.402,50,985,433.863,3.096,5,0.416,0.63,0.914,0.20117709546981016,0.3817250359810842,0.13804742649578508,0.20474950311836063,0.23142476526626002
EOS-3-28131,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)nc1,UWUOQAGTDFMVLT-UHFFFAOYSA-N,3,1,0.688,84,491,465.851,4.196,5,0.371,0.71,1.0,0.9225207319580563,0.9160527037214722,0.8188952093756425,0.8343927763689946,0.8729653553560414
EOS-3-28132,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cccs5)ccn4)n23)cc1,MGEWPVGWBGOSNL-UHFFFAOYSA-N,3,1,0.304,38,193,436.504,4.377,6,0.408,0.69,1.0,0.11289493523404838,0.10391679802618052,0.3621153450757316,0.3884757727366185,0.24185071276814477
EOS-3-28133,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)s4)n23)cc1,MFWGLVIUSRIHGU-UHFFFAOYSA-N,3,1,0.357,9,641,436.504,4.377,6,0.408,0.69,1.0,0.0880337194160784,0.07120827907614283,0.277439860187787,0.3240267973408265,0.19017716400520868
EOS-3-28134,Fc1ncnnc1-c1cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)[nH]n1,PRAWCMZIFBSLNU-UHFFFAOYSA-N,3,1,0.378,31,779,439.802,1.57,5,0.413,0.59,0.993,0.547786306627373,0.4283119731341238,0.0552994996915907,0.1002244534301967,0.2829055582208211
EOS-3-28135,c1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)n2)c1,RALJEHQLZKIUBU-UHFFFAOYSA-N,3,1,0.287,86,165,420.4,1.681,6,0.414,0.65,0.999,0.011471112329518196,0.037583099170721675,0.0569786169556576,0.07782194503461037,0.04596369337262696
EOS-3-28136,Cc1cc(-c2nnc3cncc(Cc4ccc(-c5cnc(F)cn5)c(F)c4)n23)ccc1Cl,ODIKUHMTIUHUQM-UHFFFAOYSA-N,3,1,0.364,14,358,448.864,5.079,5,0.383,0.79,1.0,0.4817781509149476,0.6698050167911727,0.9369217325748749,0.9458998697827428,0.7586011925159344
EOS-3-28137,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccc4)n23)nc1,PYZQEYHCLRAUPT-UHFFFAOYSA-N,3,1,0.459,97,700,433.834,4.015,5,0.386,0.71,1.0,0.82476355287506,0.8862740730587348,0.5022445343019669,0.5952470701117127,0.7021323075868686
EOS-3-28138,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)nc1,NNZYLDULWXEMJN-UHFFFAOYSA-N,3,1,0.448,18,181,443.442,2.896,5,0.382,0.66,1.0,0.5117709546981015,0.3910458501816188,0.495125419779316,0.4357309300253581,0.4584182886710986
EOS-3-28140,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)nc2)cn1,DYEOXEQGGPPRBU-UHFFFAOYSA-N,3,1,0.284,86,421,420.396,2.755,6,0.419,0.66,1.0,0.15936193543965457,0.09126345007196217,0.18174730998560756,0.19043417174970872,0.15570171681173325
EOS-3-28141,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccnc5)n4)n23)cc1,ATABZOQSKOPEBD-UHFFFAOYSA-N,3,1,0.333,29,849,409.413,2.065,5,0.478,0.8,1.0,0.22039270783359605,0.05205263518607361,0.11783805085326571,0.0740610650400932,0.11608611472825714
EOS-3-28142,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccn1,YZQOELUTJSGZFB-UHFFFAOYSA-N,3,1,0.523,24,486,418.848,3.214,5,0.404,0.73,1.0,0.4318672469330409,0.4239685422520732,0.409918785552738,0.39765094921526967,0.41585138098828045
EOS-3-28143,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)s2)nn1,GTYJCYTUXVVOGO-UHFFFAOYSA-N,3,1,0.293,76,14,452.507,3.476,6,0.4,0.64,1.0,0.051195942704406826,0.1196799396888493,0.08698855458844493,0.08134295113426085,0.08480184702899046
EOS-3-28144,CONC(C)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cn4)n23)cn1,IDUURPXYTBOYNL-UHFFFAOYSA-N,3,1,0.333,50,974,428.46,2.256,5,0.406,0.62,0.904,0.13743060790898498,0.05979713522034131,0.23398841751764787,0.11110444794736482,0.13558015214858474
EOS-3-28145,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)nc1,MHRGKOGYNWHJMR-UHFFFAOYSA-N,3,1,0.418,18,873,444.43,2.291,5,0.402,0.61,0.998,0.6343465149749846,0.3956548557329861,0.45012336371736,0.41021862792132135,0.47258584058666303
EOS-3-28146,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5nccnn5)cc4Cl)n23)nc1,CKDMZBGSAPTGBP-UHFFFAOYSA-N,3,1,0.416,46,915,452.265,3.319,5,0.396,0.59,1.0,0.6460832019738195,0.689448975395792,0.39945000342676995,0.5241844287574532,0.5647916523884586
EOS-3-28147,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5cnc(Cl)c(F)c5)n34)ncn2)cc1,VCILPFHLAMWFCP-UHFFFAOYSA-N,3,1,0.38,44,971,437.797,4.367,5,0.385,0.72,0.854,0.7344081968336645,0.7800613391816873,0.8634603522719485,0.8906089370159688,0.8171347063258172
EOS-3-28148,OCc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccc(Cl)nn5)c4)n23)nc1,ZWZVZTHYKKXLIP-UHFFFAOYSA-N,3,1,0.429,53,226,447.846,2.158,5,0.412,0.59,0.605,0.5892844904393119,0.5499965732300733,0.2955503392502227,0.2991998492221232,0.43350781303543284
EOS-3-28149,c1ncc(-c2cnnc(-c3cncc4nnc(-c5cncnc5-c5ccnnc5)n34)c2)cn1,YCRDBFVBTNBPBX-UHFFFAOYSA-N,3,1,0.247,94,165,432.411,1.952,6,0.402,0.59,0.945,0.08565211431704475,0.0712168460009595,0.17861181550270716,0.20748235213487767,0.13574078198889727
EOS-3-28150,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,ZEXNABQLJMFQCT-UHFFFAOYSA-N,3,1,0.423,31,466,450.915,3.683,5,0.386,0.64,0.523,0.5833133438420944,0.5784987320951271,0.21268247549859504,0.24530532520046605,0.40494996915907067
EOS-3-28151,CCn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)ncn1,FMXGLDDJCQTJIF-UHFFFAOYSA-N,3,1,0.478,44,971,436.838,4.05,5,0.41,0.66,1.0,0.597817147556713,0.5311664724830375,0.5829021314508944,0.6103848262627647,0.5805676444383524
EOS-3-28152,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cn(C)nc5C)n34)c(F)c2)n[nH]1,UMFKZAJHENWQTM-UHFFFAOYSA-N,3,1,0.472,36,610,419.424,2.645,5,0.466,0.69,1.0,0.3962374066205195,0.4855989993831814,0.19164210814885888,0.13558871907340142,0.30226680830649033
EOS-3-28153,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ncn2)c(C)n1,QZPSKCPIHRQREG-UHFFFAOYSA-N,3,1,0.378,31,395,446.862,2.678,5,0.397,0.6,0.962,0.4528990473579604,0.44612260982797614,0.10398533342471386,0.09410766911109589,0.27427866493043657
EOS-3-28154,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3ccc4c(c3)OCO4)n12,UOFSRTVZJOHJFO-UHFFFAOYSA-N,3,1,0.6,15,604,470.489,3.551,6,0.356,0.75,1.0,0.6176838462065657,0.11968850661366597,0.5265660338564869,0.3179785484202591,0.39547923377424443
EOS-3-28155,Cn1nc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)cc1-c1cnccn1,QQTXSSOQWUBFFT-UHFFFAOYSA-N,3,1,0.289,86,944,433.439,2.501,6,0.412,0.6,0.94,0.08566068124186142,0.05586491672949078,0.12900075388938387,0.1335412240422178,0.10101689397573846
EOS-3-28156,Cc1ncc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)nn1,QSRROPWXNOECKW-UHFFFAOYSA-N,3,1,0.438,13,995,418.367,3.417,5,0.437,0.68,1.0,0.6147453909944486,0.6170755945445823,0.6315108628606675,0.6250085669248167,0.6220851038311287
EOS-3-28157,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)cn1,UWHAHWPGYMHIQB-UHFFFAOYSA-N,3,1,0.45,18,194,428.431,3.107,5,0.38,0.65,1.0,0.7254557604002467,0.6170841614693989,0.4395346446439586,0.36919162497429925,0.5378165478719759
EOS-3-28158,COCc1ncc(-c2cccc(-c3nnc4cncc(OCc5nccs5)n34)c2)cn1,HNSKULLAVDQMOK-UHFFFAOYSA-N,3,1,0.605,4,506,431.481,3.43,5,0.386,0.67,1.0,0.3666815160030156,0.32862723596737714,0.20915290247412788,0.15805976286752108,0.2656303543280104
EOS-3-28159,Fc1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)ccc1-c1cscn1,FTVNDLXPBWTZMG-UHFFFAOYSA-N,3,1,0.342,32,572,442.439,4.166,6,0.4,0.66,1.0,0.32932972380234393,0.4008121444726201,0.5094321842231513,0.527671167157837,0.4418113049139881
EOS-3-28160,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c(F)c1,OOHNHGZSILJTPG-UHFFFAOYSA-N,3,1,0.517,4,31,435.85,3.958,5,0.389,0.69,1.0,0.572005003084093,0.640240559248852,0.72467617024193,0.7219090535261462,0.6647076965252553
EOS-3-28161,Fc1cc(Cl)cc(Oc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)c1,GEJRDBRURPVKSJ-UHFFFAOYSA-N,3,1,0.47,13,251,419.807,4.228,5,0.43,0.7,0.999,0.7129823178671784,0.82458364745391,0.7546090055513672,0.8034918785552738,0.7739167123569324
EOS-3-28162,N#Cc1cc(-c2cncnc2)cc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)nc4)n23)c1,NNOJBELGNOQBGR-UHFFFAOYSA-N,3,1,0.372,42,106,471.459,4.383,6,0.372,0.75,1.0,0.2933914741964225,0.44144506887807555,0.8189037763004592,0.8303663217051607,0.5960266602700295
EOS-3-28163,Fc1cc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,LEUFTDBBTWGESR-UHFFFAOYSA-N,3,1,0.541,97,439,451.824,4.154,5,0.371,0.69,1.0,0.6230638749914331,0.7886025632239051,0.8574977725995476,0.872729764923583,0.7854734939346171
EOS-3-28164,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)nc1,MEHPMXUMCUAJKU-UHFFFAOYSA-N,3,1,0.518,16,82,451.824,4.154,5,0.371,0.69,1.0,0.8865139469536015,0.8168048797203755,0.8245151120553766,0.8242495373860599,0.8380208690288535
EOS-3-28165,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nc1,TWAVDXFOHQSPQW-UHFFFAOYSA-N,3,1,0.33,32,687,446.449,4.511,6,0.368,0.73,1.0,0.25546569803303404,0.367443972311699,0.6439500376944692,0.6540418751285039,0.48022539579192647
EOS-3-28166,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,WBYDHUYYZYFMKA-UHFFFAOYSA-N,3,1,0.56,65,559,437.435,3.605,5,0.401,0.65,1.0,0.7869405798094716,0.8129154958536083,0.5633095743951751,0.5541857994654239,0.6793378623809198
EOS-3-28167,Cc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5ccnn5C)c4)n23)cn1,FKNMQWHXFAOYTM-UHFFFAOYSA-N,3,1,0.483,4,212,416.42,3.008,5,0.435,0.72,1.0,0.457499485984511,0.4680453704338291,0.44657665684325953,0.35939962990884794,0.43288028579261195
EOS-3-28169,Cc1ccc(-c2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cn5)n34)on2)nn1,IEWSTIIRRZXMFE-UHFFFAOYSA-N,3,1,0.26,39,114,452.413,3.203,6,0.392,0.63,0.602,0.23699540812829828,0.26320163114248507,0.14394147076965252,0.18767562195874168,0.20795353299979435
EOS-3-28170,Cn1ccnc1-c1nccnc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,CMVWCYNAWBHARN-UHFFFAOYSA-N,3,1,0.391,7,128,419.836,2.609,5,0.427,0.66,0.999,0.45290761428277704,0.490122335686382,0.08467548488794463,0.12713316427935029,0.2887096497841135
EOS-3-28171,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nnn1,MMECQJLPRBTSHU-UHFFFAOYSA-N,3,1,0.549,36,32,419.836,2.609,5,0.427,0.66,1.0,0.6230724419162498,0.8129240627784251,0.24818381193886643,0.31798711534507573,0.5005418579946542
EOS-3-28172,Fc1cc(-c2cccnc2F)nc(COc2cncc3nnc(-c4cccnc4)n23)c1F,CYRUIIVRXODBBS-UHFFFAOYSA-N,3,1,0.477,73,401,435.369,3.64,5,0.389,0.66,0.999,0.6736515660338565,0.7546518401754506,0.7906671921047221,0.7760348845178535,0.7487513707079707
EOS-3-28173,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)c2)ccn1,SEVHZFQZEZKAEL-UHFFFAOYSA-N,3,1,0.524,18,160,420.436,3.402,5,0.425,0.66,1.0,0.5273970255637036,0.3624323212939483,0.602049208416147,0.49127887053663216,0.49578935645260774
EOS-3-28174,Clc1cncc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cn2)n1,ZOCJPHIOCLFNOX-UHFFFAOYSA-N,3,1,0.304,86,953,453.857,2.939,6,0.396,0.63,0.875,0.008070043177301076,0.07122541292577617,0.1561065040093208,0.2453138921252827,0.12017896305942019
EOS-3-28175,c1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)on2)no1,ISEQFOOUHOMVFV-UHFFFAOYSA-N,3,1,0.5,40,2,429.356,2.458,6,0.381,0.65,1.0,0.592222945651429,0.37710746350490026,0.10139812213008019,0.09032108834212871,0.2902624049071345
EOS-3-28176,OCc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)c1,FYTUHLFGVQUIQJ-UHFFFAOYSA-N,3,1,0.5,24,912,450.911,4.035,5,0.417,0.7,1.0,0.5833219107669111,0.6258738263313001,0.6346035227194846,0.6103933931875813,0.6135481632513193
EOS-3-28177,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c2)cn1,DGZLPWNZLKVQRA-UHFFFAOYSA-N,3,1,0.458,65,858,445.874,3.017,5,0.388,0.61,1.0,0.6315536974847509,0.6503666643821534,0.16900829278322255,0.1795027756836406,0.40760785758344187
EOS-3-28178,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ncccc5F)n34)nn2)cc(F)n1,MWOGSPHJFYIVHJ-UHFFFAOYSA-N,3,1,0.429,54,820,436.357,3.035,5,0.387,0.63,1.0,0.5951271331642793,0.5887105064765952,0.5860461928586115,0.6073692687272977,0.5943132753066959
EOS-3-28179,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)cn2)nc1,DXKRSLSJSKQIPA-UHFFFAOYSA-N,3,1,0.516,73,263,466.839,3.591,5,0.374,0.67,1.0,0.8773130697005003,0.9196850798437393,0.5367264066890549,0.5952556370365294,0.7322450483174558
EOS-3-28180,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)cn2)[nH]n1,FPHQWQSBXHMRMX-UHFFFAOYSA-N,3,1,0.281,70,887,432.451,3.404,6,0.449,0.59,0.821,0.17567336029059008,0.13008875334110068,0.30281509149475705,0.28115790555822084,0.22243377767116715
EOS-3-28181,CCc1cnc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nc4OC)n23)cn1,HQNXXEJOPSTTIZ-UHFFFAOYSA-N,3,1,0.436,7,535,458.457,3.327,5,0.362,0.69,0.999,0.5776163388390103,0.5785072990199438,0.24103899664176548,0.15806832979233773,0.3888077410732643
EOS-3-28182,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5cccnc5-c5ccnc(F)c5)n34)cn2)nn1,KHNNLVVZQSSTLD-UHFFFAOYSA-N,3,1,0.29,86,443,463.44,3.005,6,0.359,0.65,1.0,0.2066256596532109,0.27857069426358716,0.20194811870331025,0.2338513467205812,0.23024895483517238
EOS-3-28183,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)c1,AVKYHOLNQSDHNN-UHFFFAOYSA-N,3,1,0.406,2,905,434.41,3.322,5,0.404,0.63,1.0,0.5720135700089096,0.40545541772325405,0.6689568912343226,0.5980998560756631,0.5611314337605373
EOS-3-28184,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cc1,QYTDOEKNBCMSAL-UHFFFAOYSA-N,3,1,0.447,89,398,482.479,3.254,6,0.375,0.83,1.0,0.47438489479816326,0.24801247344253308,0.2658916455349188,0.2783308203687204,0.3166549585360839
EOS-3-28185,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)n5)n34)cn2)n(C)n1,OICSEIAXTSXICA-UHFFFAOYSA-N,3,1,0.278,99,14,450.47,2.148,6,0.396,0.6,1.0,0.06906654787197587,0.06375505448564184,0.027337057089986978,0.020620588033719415,0.045194811870331024
EOS-3-28186,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)nc1,UARYPMQIYAADFU-UHFFFAOYSA-N,3,1,0.277,86,977,419.412,2.49,6,0.457,0.63,1.0,0.15937050236447126,0.13347268864368447,0.12900932081420052,0.13354979096703448,0.13885057569734768
EOS-3-28187,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccnc5)n4)n23)cn1,USZHLTYWTMWGCG-UHFFFAOYSA-N,3,1,0.354,82,849,410.401,1.46,5,0.467,0.78,0.998,0.23700397505311493,0.06743883215680899,0.03584401343293811,0.01915564389006922,0.0898606161332328
EOS-3-28188,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCc5cnc(C#N)cn5)n34)c2)cn1,NGNVUWRBFDROPT-UHFFFAOYSA-N,3,1,0.358,7,828,423.4,1.587,5,0.405,0.63,0.999,0.40454732369268726,0.3195377287368926,0.12607086560208347,0.0982540607223631,0.2371024946885066
EOS-3-28189,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccncc6)n5)n34)nc2)nn1,DMXQQBVISKEQGR-UHFFFAOYSA-N,3,1,0.25,99,286,423.404,1.019,6,0.403,0.65,0.977,0.00013707079706668494,0.006142485093550819,0.017724967445685698,0.018033376739085737,0.010509475018847234
EOS-3-28190,Fc1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)n2)cnc1F,GRDDHQGLDVKTJK-UHFFFAOYSA-N,3,1,0.277,70,887,466.415,3.441,6,0.36,0.68,0.705,0.31430333767390856,0.4054639846480707,0.47795730244671375,0.497472757179083,0.423799345486944
EOS-3-28191,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(Cl)nn6)n5)n34)cc2)n1C,VYWNLKGMVBSRLJ-UHFFFAOYSA-N,3,1,0.31,98,973,470.888,2.586,6,0.381,0.65,0.973,0.051204509629223495,0.1980758686861764,0.051315879651840174,0.08135151805907752,0.09548694400657941
EOS-3-28192,Cc1ncc(F)cc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ncn1,OJQQHIDRIQCNHP-UHFFFAOYSA-N,3,1,0.371,13,971,435.369,4.161,5,0.419,0.65,0.994,0.6768470289904736,0.6503752313069701,0.8318569666232609,0.8204201219930094,0.7448748372284285
EOS-3-28193,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2F)nc1,GGWBFGHJHDVUSH-UHFFFAOYSA-N,3,1,0.724,88,876,464.863,4.801,5,0.359,0.78,1.0,0.9800990336508807,0.9813069700500309,0.8718730724419163,0.8948152971009526,0.9320235933109451
EOS-3-28194,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)ncn2)nc1,IVWNVRWVQLLEDW-UHFFFAOYSA-N,3,1,0.457,44,481,461.888,4.366,5,0.371,0.72,0.998,0.757941539305051,0.7366013295867315,0.6853625522582414,0.70017476526626,0.7200200466040709
EOS-3-28195,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)n1,WFCDLXPJAHRFBV-UHFFFAOYSA-N,3,1,0.453,44,531,461.888,4.366,5,0.371,0.72,1.0,0.8296552669453773,0.8010503049825235,0.55015934480159,0.610401960112398,0.6978167192104723
EOS-3-28196,Cn1ncc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)c1F,JPKHRMJUKZRVBD-UHFFFAOYSA-N,3,1,0.5,13,145,422.37,4.401,5,0.429,0.75,1.0,0.4717462819546296,0.5637978891097252,0.929699814954424,0.9171492700980056,0.720598314029196
EOS-3-28198,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(F)cn5)c4)n23)cc1,ZHENYVBRARZBMJ-UHFFFAOYSA-N,3,1,0.505,89,398,481.491,3.859,6,0.376,0.82,1.0,0.6373706394352683,0.2889281063669385,0.39199677883626893,0.4007093413748201,0.429751216503324
EOS-3-28199,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(Cl)cn2)n1C,VPWRZVZDWAZJDX-UHFFFAOYSA-N,3,1,0.511,89,731,474.912,3.227,5,0.4,0.66,1.0,0.694786169556576,0.4901309026111987,0.37357789048043316,0.27219690219998627,0.45767296621204856
EOS-3-28200,CNCc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cs1,BADKWMVKWVFUBN-UHFFFAOYSA-N,3,1,0.523,4,32,464.942,3.657,5,0.389,0.66,1.0,0.5922315125762456,0.607463504900281,0.21599787540264548,0.24837228428483313,0.4160162942910013
EOS-3-28201,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc(C2CCCCO2)n1,NTFNVXRIOKLRGD-UHFFFAOYSA-N,3,1,0.37,63,108,437.891,3.759,5,0.465,0.61,0.345,0.45525495168254404,0.49013946953601534,0.03585258035775478,0.1135802892193818,0.273706822698924
EOS-3-28202,Fc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)c1,MJXXTCUEIRUMEZ-UHFFFAOYSA-N,3,1,0.636,97,293,416.391,4.106,5,0.429,0.78,1.0,0.9702470701117127,0.9215869371530395,0.8480655883763965,0.8496162017682133,0.8973789493523405
EOS-3-28203,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)ccc1Cl,CVGOMPQDIRIMGU-UHFFFAOYSA-N,3,1,0.553,4,547,428.843,3.476,5,0.421,0.67,1.0,0.43878075526009186,0.6795884449318073,0.7401137687615653,0.7299191282297307,0.6471005242957988
EOS-3-28204,Fc1cncc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cncnc6)c(F)c5)n34)cn2)c1,BHRLNKZUJJSIHI-UHFFFAOYSA-N,3,1,0.338,42,106,465.427,4.046,6,0.384,0.67,1.0,0.39624597354533614,0.4812127338770475,0.7637841820300185,0.7786049619628538,0.604961962853814
EOS-3-28205,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6cccc(Cl)n6)n5)n34)cc2)n1,MFLDGSFUQHNMBM-UHFFFAOYSA-N,3,1,0.321,98,882,468.872,2.549,6,0.354,0.65,1.0,0.1817130422863409,0.222585840586663,0.06484305393735865,0.10877424439723117,0.14447904530189842
EOS-3-28206,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5cnccn5)n4)n23)c(F)c1,IFJDZYZZPVTRHG-UHFFFAOYSA-N,3,1,0.329,86,852,452.417,2.035,6,0.39,0.56,0.812,0.1954715235419094,0.25777876773353436,0.09172606401206224,0.11358885614419847,0.1646413028579261
EOS-3-28207,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cc2)c1,DCXPDIWQAHFSRN-UHFFFAOYSA-N,3,1,0.38,93,689,433.45,4.845,6,0.398,0.74,1.0,0.033650880679871154,0.237595092865465,0.6909738880131588,0.7786135288876704,0.43520834761154137
EOS-3-28208,Fc1cccc(-n2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1,FCLRYNLMQRGQEM-UHFFFAOYSA-N,3,1,0.329,93,479,433.45,4.845,6,0.398,0.74,1.0,0.03120074018230416,0.18465149749845797,0.7451853882530327,0.7853556987183881,0.4365983311630457
EOS-3-28209,CCc1cc(-c2nnc3cncc(-c4ncc(-c5nnn(C)n5)cn4)n23)c(F)cc1F,ROAHIWAIDHSAOK-UHFFFAOYSA-N,3,1,0.306,50,918,420.387,2.279,5,0.435,0.63,1.0,0.22888253032691386,0.2734905078473031,0.19165067507367556,0.22805153861969707,0.2305188129668974
EOS-3-28210,Cn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)ncn2)n1,HYFOBWOAFOCQGE-UHFFFAOYSA-N,3,1,0.469,36,463,446.406,1.194,5,0.405,0.6,0.999,0.41573572750325544,0.35297443629634706,0.15313378109793707,0.09411623603591254,0.25399004523336305
EOS-3-28211,FC(F)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(C(F)(F)F)nc5)nn4)n23)cn1,WQAQALPMBUPJJR-UHFFFAOYSA-N,3,1,0.397,50,243,472.341,3.452,5,0.362,0.69,0.651,0.3293382907271606,0.48560756630799806,0.8318655335480776,0.6917706120211089,0.5846455006510862
EOS-3-28212,Fc1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1nc[nH]n1,XCUOOLKDGLSWOB-UHFFFAOYSA-N,3,1,0.5,47,164,454.828,3.525,5,0.418,0.62,1.0,0.9130714138852717,0.8642827770543485,0.677403879103557,0.7299276951545474,0.7961714412994312
EOS-3-28213,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nnc(C)o5)cc4F)n23)n(C)n1,FAZJHHIDQIUVEB-UHFFFAOYSA-N,3,1,0.471,36,662,420.408,2.91,5,0.427,0.7,1.0,0.4743934617229799,0.5221969021999863,0.18513981221300801,0.12914639161126723,0.32771914193681034
EOS-3-28214,c1cc(-c2nnco2)cc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c1,OMGHBWNTJBKZQC-UHFFFAOYSA-N,3,1,0.288,32,727,424.449,4.027,6,0.417,0.68,1.0,0.13743917483380166,0.16382530326913852,0.3323110136385443,0.34331094510314575,0.24422160921115757
EOS-3-28215,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2F)s1,VAVJPPWDLUJJIY-UHFFFAOYSA-N,3,1,0.535,4,554,437.435,3.87,5,0.386,0.73,1.0,0.6708330477691727,0.6648362003975054,0.4711551641422795,0.47017853471317933,0.5692507367555343
EOS-3-28216,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5nncn5C)n4)n23)cn1,RCGMLJCZDKYYLT-UHFFFAOYSA-N,3,1,0.291,99,286,437.431,1.234,6,0.395,0.57,0.987,0.06907511479679254,0.037591666095538344,0.017733534370502364,0.018041943663902407,0.03561056473168391
EOS-3-28217,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)nc1,JKEFKXNGBNRUMZ-UHFFFAOYSA-N,3,1,0.29,76,892,420.4,1.885,6,0.448,0.63,0.496,0.06509149475704201,0.10733500102803098,0.04951682544033994,0.07406963196490987,0.07400323829758071
EOS-3-28218,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1cnn(C)c1,HDWATHZTAPEHBY-UHFFFAOYSA-N,3,1,0.494,16,83,449.421,3.453,5,0.392,0.62,1.0,0.5607651977246247,0.5404530189843054,0.7971951888150229,0.6597217462819547,0.639533787951477
EOS-3-28219,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cncnc4-c4ncc(F)cn4)n23)cn1,HVABLIMEKWHZME-UHFFFAOYSA-N,3,1,0.429,7,775,472.444,1.853,5,0.36,0.7,1.0,0.5580666164073744,0.4147847988486053,0.044393804399972585,0.020629154958536084,0.25946859365362207
EOS-3-28220,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5F)n34)nc2)nn1,LLIVNZVQLUQUMD-UHFFFAOYSA-N,3,1,0.489,36,185,437.826,2.748,5,0.386,0.65,1.0,0.40455589061750397,0.5836217531354945,0.3810482489205675,0.3916883695428689,0.4402285655541087
EOS-3-28221,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)c(C)c1,CLJGASWPFQKSJK-UHFFFAOYSA-N,3,1,0.396,89,707,467.493,2.675,5,0.383,0.62,0.999,0.3115876225070249,0.10064423274621342,0.14111438558015216,0.064962990884792,0.1545773079295456
EOS-3-28222,Cc1cc(COc2cncc3nnc(-c4cccc(-c5nc(C)c(C)n5C)c4)n23)ccn1,QSRMGTWWFKJHSK-UHFFFAOYSA-N,3,1,0.518,15,506,425.496,4.091,5,0.422,0.75,1.0,0.32405249811527653,0.14457542320608593,0.262430607908985,0.15519840997875403,0.22156423480227536
EOS-3-28223,Fc1cnc(CCOc2cncc3nnc(-c4cnc(F)c(-c5ccccn5)c4)n23)cc1F,ZRXOGBGRISJYRP-UHFFFAOYSA-N,3,1,0.465,87,307,449.396,3.682,5,0.365,0.68,1.0,0.8463436364882462,0.8490593516551299,0.7685045576040025,0.7613340415324515,0.8063103968199575
EOS-3-28224,Cc1cccc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(F)cn5)c4)n23)n1,XOUZDNTXYRITAN-UHFFFAOYSA-N,3,1,0.447,58,778,428.431,3.107,5,0.406,0.63,0.997,0.6798368857514906,0.612235282023165,0.3100027414159413,0.2931087656774724,0.4737959187170174
EOS-3-28225,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nn4)n23)n1,SSYSBBSVLWQGMJ-UHFFFAOYSA-N,3,1,0.415,31,411,430.407,1.897,5,0.394,0.6,0.979,0.6858851346720581,0.5595058597765746,0.04616715783702282,0.04644986635597286,0.33450200466040714
EOS-3-28226,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)on4)n23)cc1,FZVJGCPLIFASMA-UHFFFAOYSA-N,3,1,0.561,34,32,423.795,3.608,5,0.422,0.7,1.0,0.7841648961688712,0.7886111301487219,0.5536717839764238,0.6250171338496333,0.6878662360359126
EOS-3-28227,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cnc(Cl)cn5)n4C)n23)nc1,YEOZHGHXIMTFAY-UHFFFAOYSA-N,3,1,0.287,99,754,470.888,2.493,6,0.381,0.64,0.727,0.08804228634089507,0.19808443561099306,0.03066102391885409,0.05727845932424097,0.09351655129874581
EOS-3-28228,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)ccn2)c1,MCXYFQSQJATKSJ-UHFFFAOYSA-N,3,1,0.619,88,732,447.42,4.892,5,0.371,0.79,1.0,0.9615002398738949,0.9554177232540607,0.9485299157014598,0.9507744500034268,0.9540555822082106
EOS-3-28229,Cn1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1ccnc(Cl)c1,RMTJDRHLHUSCMO-UHFFFAOYSA-N,3,1,0.452,95,493,450.865,3.396,5,0.366,0.68,0.989,0.4505774107326434,0.41479336577342196,0.5128846549242684,0.5575954355424577,0.4839627167431979
EOS-3-28230,Cn1cc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)c(-c2ccc(F)cc2)n1,DMZYGXUTVPYQRF-UHFFFAOYSA-N,3,1,0.395,9,867,450.481,4.398,6,0.398,0.67,1.0,0.17031046535535604,0.3092145843328079,0.6081488588856144,0.6073778356521143,0.4237629360564732
EOS-3-28231,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1-c1ncccn1,XBWPMYSKVPBEPB-UHFFFAOYSA-N,3,1,0.471,73,379,452.812,3.549,5,0.373,0.69,1.0,0.9336320334452745,0.9196936467685559,0.5923942841477623,0.6398122130080186,0.7713830443424028
EOS-3-28232,N#Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)nc2)o1,LDQWHAOXYUDJLF-UHFFFAOYSA-N,3,1,0.279,76,892,445.406,2.627,6,0.393,0.61,0.982,0.22040127475841273,0.2528699198135837,0.1290178877390172,0.14996401891577,0.18806327530669592
EOS-3-28233,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cn2)c1,QMZKNZYVDQLXGG-UHFFFAOYSA-N,3,1,0.452,55,823,450.865,3.836,5,0.388,0.67,1.0,0.5803063532314441,0.602383318483997,0.5633181413199918,0.5276797340826537,0.5684218867795217
EOS-3-28234,Fc1cnc(-c2cccc(CCOc3cncc4nnc(-c5ccoc5)n34)n2)c(F)n1,NULBYKCODNNGBY-UHFFFAOYSA-N,3,1,0.478,87,579,421.367,3.136,5,0.412,0.7,0.994,0.5274055924885204,0.3195462956617093,0.354756356658214,0.3560242615310808,0.38943312658488105
EOS-3-28235,COc1ncc(-c2nnc3cncc(-c4ccc(-c5cncn5C)cc4F)n23)cc1C,KPJRKJIONOCTSV-UHFFFAOYSA-N,3,1,0.34,82,478,415.432,3.71,5,0.445,0.75,1.0,0.41804879720375576,0.4054725515728874,0.605270372147214,0.47332259612089644,0.4755285792611884
EOS-3-28236,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cnc(C)nc5)n34)c2)nc1,WYENUJPXXSSQPX-UHFFFAOYSA-N,3,1,0.437,65,466,425.456,2.672,5,0.405,0.61,0.98,0.5117795216229183,0.2122369954081283,0.12607943252690015,0.09032965526694538,0.23510640120622303
EOS-3-28237,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cn1,SITXIYUOSKVCQQ-UHFFFAOYSA-N,3,1,0.438,56,614,453.43,1.136,6,0.384,0.64,1.0,0.3805942019052841,0.257787334658351,0.024107326434103214,0.01985813172503598,0.1705867486806936
EOS-3-28238,CC1CCC(C)N1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4Cl)n23)cc1,MSBBWDRVIHAGIN-UHFFFAOYSA-N,3,1,0.415,0,21,474.952,4.224,5,0.476,0.64,1.0,0.21216846000959497,0.21224556233294498,0.3357720512644781,0.35603282845589745,0.27905472551572885
EOS-3-28239,COc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1cncn1C,VIIPXDPESRRDAA-UHFFFAOYSA-N,3,1,0.484,4,248,465.876,3.967,5,0.374,0.71,1.0,0.6977588924679597,0.6023918854088136,0.7777397025563704,0.6803080666164074,0.6895496367623879
EOS-3-28240,CCn1c(-c2cccnc2C)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)nc3)n12,KJWXMOIQGHEART-UHFFFAOYSA-N,3,1,0.28,99,754,464.497,2.631,6,0.378,0.66,0.817,0.05985710369405798,0.03476458090603797,0.010211774381468029,0.008883901034884518,0.028429340004112125
EOS-3-28241,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cccnc5Cl)n34)c2)cn1,YEIGDICAVPWHEO-UHFFFAOYSA-N,3,1,0.389,18,181,430.859,3.579,5,0.39,0.66,1.0,0.5747549859502433,0.5311750394078542,0.42469673086148996,0.40692892879172093,0.48438892125282706
EOS-3-28242,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)ccc4F)n23)cc1,PKHJAMAVJHVPPJ-UHFFFAOYSA-N,3,1,0.549,43,909,416.416,4.176,5,0.424,0.79,1.0,0.8511839490096635,0.762918922623535,0.6410458501816189,0.5639263929819752,0.7047687786991982
EOS-3-28243,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)on2)nn1,CAPIBRQUZHAHDO-UHFFFAOYSA-N,3,1,0.248,99,286,426.404,1.432,6,0.406,0.62,0.994,0.031209307107120828,0.028784867384003838,0.024115893358919883,0.022214036049619627,0.026581025974916045
EOS-3-28244,Cn1cnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,YGRPTAHYGSURQW-UHFFFAOYSA-N,3,1,0.33,32,314,465.908,4.364,6,0.381,0.74,1.0,0.21217702693441162,0.3721043794119663,0.4779658693715304,0.5541943663902406,0.4041104105270372
EOS-3-28245,Cn1cccc1-c1ccc(-c2cncc3nnc(-c4cnc(C(C)(O)CO)nc4)n23)c(F)c1,OSZHXFIFQKDRCU-UHFFFAOYSA-N,3,1,0.298,82,478,445.458,2.593,5,0.427,0.6,0.999,0.4112723596737715,0.42832054005894044,0.6377475841272017,0.507607429237201,0.4962369782742787
EOS-3-28247,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccn1,DRBJIYUWVUTGLA-UHFFFAOYSA-N,3,1,0.536,16,577,419.395,3.444,5,0.434,0.68,1.0,0.6917020766225755,0.5130816941950518,0.7141816873415119,0.6888664245082585,0.6519579706668495
EOS-3-28248,Cn1ncnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)s4)n23)c1,CRRWRHPLEOWPDK-UHFFFAOYSA-N,3,1,0.379,33,760,473.522,2.515,6,0.382,0.71,0.709,0.1871958741690083,0.08163422657802755,0.01685114111438558,0.01857309300253581,0.0760635837159893
EOS-3-28249,FC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)s1,CQZJSGSWPSWLGY-UHFFFAOYSA-N,3,1,0.375,14,476,439.426,4.314,5,0.415,0.67,1.0,0.32934685765197724,0.36745253923651566,0.7926375848125556,0.6803166335412241,0.5424384038105681
EOS-3-28250,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cn1,LAZOMYVNJYXZAY-UHFFFAOYSA-N,3,1,0.43,46,511,448.849,3.718,5,0.4,0.63,1.0,0.6858937015968748,0.6024004523336303,0.6881039681995751,0.6803252004660407,0.6641808306490302
EOS-3-28251,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)n1,QQQWJPAZFZRZRX-UHFFFAOYSA-N,3,1,0.284,76,935,446.478,3.414,6,0.405,0.59,0.879,0.12084504146391611,0.05206120211089028,0.13805599342060174,0.13802172572133506,0.11224599067918581
EOS-3-28252,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cn1,OZYJQEFHONYBBK-UHFFFAOYSA-N,3,1,0.265,94,165,448.425,3.301,6,0.374,0.63,0.999,0.22299705297786307,0.31430333767390856,0.48513638544308135,0.48834898224933176,0.37769643958604615
EOS-3-28253,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ncc2F)cn1,NUDJGZOEWQVYOD-UHFFFAOYSA-N,3,1,0.457,18,76,431.406,3.543,5,0.38,0.68,1.0,0.8296638338701939,0.7366098965115482,0.719570283051196,0.7085360838873278,0.7485950243300664
EOS-3-28255,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1-c1cccc(C#N)c1,ULMYWHFIUPRHKH-UHFFFAOYSA-N,3,1,0.436,95,266,461.407,4.06,5,0.367,0.74,1.0,0.5922400795010623,0.5222054691248029,0.937667055033925,0.9276180522239736,0.7449326639709408
EOS-3-28256,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5cnncc5F)c4)n23)ccc1Cl,HMJICSZPRWWDBI-UHFFFAOYSA-N,3,1,0.573,59,772,451.824,4.154,5,0.396,0.67,1.0,0.9480244671372764,0.9626739085737783,0.9262387773284901,0.9308392159550408,0.9419440922486464
EOS-3-28257,Cc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cccc(Cl)c1,VDUUKWIEONRSTQ-UHFFFAOYSA-N,3,1,0.533,11,159,442.91,4.832,5,0.374,0.76,1.0,0.755260091837434,0.7674765266260023,0.6346120896443013,0.6655729559317387,0.7057304160098691
EOS-3-28258,COc1cc(-c2nnc3cncc(OCCc4nn(C)cc4Cl)n23)ccc1-c1ncno1,LVLVIVCUOAXIHB-UHFFFAOYSA-N,3,1,0.46,15,771,452.862,2.858,5,0.367,0.67,1.0,0.4552635186073607,0.47236310054142966,0.17862038242752382,0.15264546638338702,0.3147231169899253
EOS-3-28259,Cc1cc(-c2cc(F)c(-c3nnc4cncc(-c5ccc(-c6cncn6C)cc5)n34)cn2)cnn1,YDUVSDMSJDKKQO-UHFFFAOYSA-N,3,1,0.287,42,339,463.48,4.158,6,0.387,0.67,0.999,0.20118566239462682,0.2683332191076691,0.6052789390720307,0.5735641834007265,0.4120905009937632
EOS-3-28260,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5nnc(Cl)s5)c4)n23)c(F)c1,HTQCZTOYNQBVRM-UHFFFAOYSA-N,3,1,0.442,13,995,443.826,4.429,5,0.406,0.75,1.0,0.595135700089096,0.6941265163456926,0.7042183537797272,0.7689671715441025,0.6906119354396546
EOS-3-28261,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)c1,VRPYMXNTEXEMBU-UHFFFAOYSA-N,3,1,0.465,46,16,435.369,3.64,5,0.389,0.67,1.0,0.8322339113151943,0.7587553971626345,0.8784010691522172,0.8727383318483997,0.8355321773696114
EOS-3-28262,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(F)c(-c5cncc(F)c5)n4)n23)c1,BKTOBMICXBWJMV-UHFFFAOYSA-N,3,1,0.46,59,16,452.371,4.384,5,0.368,0.73,0.999,0.8487252415872798,0.8088976081145912,0.9376756219587417,0.9451117126996094,0.8851025460900555
EOS-3-28263,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)c1,VNEIFGBBYHPVHL-UHFFFAOYSA-N,3,1,0.457,16,931,446.902,4.006,5,0.389,0.68,1.0,0.28234870810773766,0.377116030429717,0.28843122472757177,0.2960729216640395,0.31099222123226644
EOS-3-28264,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cn1,HJHCSQXWEIHSLH-UHFFFAOYSA-N,3,1,0.324,39,953,451.429,2.734,6,0.398,0.59,0.772,0.008712562538551162,0.1006527996710301,0.10140668905489686,0.15265403330820368,0.09085652114317044
EOS-3-28265,Cc1nc(COc2cncc3nnc(-c4cc(-c5cccc(Cl)c5)ccn4)n23)ccc1F,IXRJQWWJIQWTBV-UHFFFAOYSA-N,3,1,0.483,44,560,446.873,4.928,5,0.381,0.8,1.0,0.57476355287506,0.664844767322322,0.7995339592899733,0.820428688917826,0.7148927421012953
EOS-3-28266,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cnn2)nc1,FGFQKORECTXVSP-UHFFFAOYSA-N,3,1,0.435,7,65,436.798,2.2,5,0.404,0.57,0.999,0.5530463984648071,0.6215303954492495,0.19511171269960934,0.2514135425947502,0.405275512302104
EOS-3-28267,CCn1nc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1-c1cnc(C)cn1,SHFQQDGAXYXWDC-UHFFFAOYSA-N,3,1,0.518,31,54,426.484,3.395,5,0.393,0.69,1.0,0.15402474127887053,0.0056113357549174145,0.07767630731272702,0.07407819888972654,0.07784764580906038
EOS-3-28268,COCc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)nc(C)n2)cn1,GFJMKUHRRWQWCO-UHFFFAOYSA-N,3,1,0.479,31,796,454.494,3.115,5,0.349,0.66,1.0,0.3782725652799671,0.12685902268521693,0.15611507093413748,0.09826262764717977,0.18987732163662532
EOS-3-28269,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ccn2)n1,WEFLWYJCBHWHPR-UHFFFAOYSA-N,3,1,0.646,24,294,447.861,4.323,5,0.396,0.67,1.0,0.882864436981701,0.8206171612637927,0.7730792954561031,0.7639469536015352,0.810126961825783
EOS-3-28270,c1ccc(-c2nccnc2-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cc1,MVFZIPCIHGZCRW-UHFFFAOYSA-N,3,1,0.324,30,365,429.447,3.767,6,0.417,0.63,1.0,0.08130868343499417,0.0240045233363032,0.15314234802275375,0.2752038928106367,0.13341486190117197
EOS-3-28271,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5F)n34)nc2)nc1,LNUAWPJPYCTSNE-UHFFFAOYSA-N,3,1,0.455,18,262,437.435,3.605,5,0.401,0.66,1.0,0.7785278596395038,0.7181481735316291,0.45719964361592763,0.4514598039887602,0.6013338701939551
EOS-3-28272,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)o1,SERGILMIECTZIQ-UHFFFAOYSA-N,3,1,0.326,25,213,440.402,2.838,6,0.38,0.63,1.0,0.2288910972517305,0.36244088821876497,0.1851483791378247,0.26034884517853474,0.25920730244671375
EOS-3-28273,Clc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cn1,KPRJSJZZKCQIAQ-UHFFFAOYSA-N,3,1,0.304,30,301,452.865,4.619,6,0.356,0.81,1.0,0.21218559385922828,0.31955486258652593,0.3994585703515866,0.534661777808238,0.3664652011513947
EOS-3-28274,COC(=O)c1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)s1,SROXCKPZPZHOTC-UHFFFAOYSA-N,3,1,0.495,58,393,460.479,2.508,5,0.334,0.74,1.0,0.44811870331025977,0.31431190459872527,0.025195325885820026,0.013535741210335139,0.2002904187512851
EOS-3-28275,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)s5)n34)cn2)c1,AOOSZMBULWSRNQ-UHFFFAOYSA-N,3,1,0.315,76,368,434.488,4.434,6,0.405,0.72,0.993,0.11007641696936468,0.17641011582482352,0.38837296963881845,0.41980501679117266,0.2736661298060448
EOS-3-28277,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(C)n5)n34)ccn2)s1,IWQZYWVQCYOOAB-UHFFFAOYSA-N,3,1,0.5,58,241,448.487,3.477,5,0.389,0.69,0.97,0.6005071619491468,0.5785158659447605,0.11784661777808238,0.1065297100952642,0.35084983894181343
EOS-3-28278,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4nccnc4-c4ncccn4)n23)no1,GEEZHNULERZVDI-UHFFFAOYSA-N,3,1,0.228,86,953,424.388,1.489,6,0.404,0.64,0.993,0.049688163936673295,0.02170002056061956,0.00844698786923446,0.008515523267767802,0.02208767390857378
EOS-3-28279,CCc1cc(C(F)F)c(C)nc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3)n12,DHUVKWNCMYAAQY-UHFFFAOYSA-N,3,1,0.271,61,917,447.453,3.852,5,0.403,0.65,0.983,0.15681755876910425,0.21713727640326227,0.3621239120005483,0.34017545062024535,0.26906354944829003
EOS-3-28280,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5nccc(Cl)n5)cnn4)n23)nc1,FWOHMELWEOZENH-UHFFFAOYSA-N,3,1,0.385,46,128,452.265,3.319,5,0.37,0.63,1.0,0.5167740387910356,0.6894575423206086,0.31370365293674185,0.4384809128915085,0.48960403673497366
EOS-3-28281,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)nc1,NWQRNOZGUFHKJM-UHFFFAOYSA-N,3,1,0.411,18,692,449.396,3.682,5,0.391,0.61,1.0,0.6768555959152902,0.6357686244945514,0.7298677266808307,0.7458964430128161,0.6970970975258721
EOS-3-28282,Clc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3cnc(-c4cnccn4)nc3)n12,WMNIWLKOFLESIL-UHFFFAOYSA-N,3,1,0.317,86,780,465.868,3.211,6,0.382,0.63,1.0,0.2767031046535536,0.30922315125762456,0.332319580563361,0.41347405935165515,0.33292997395654855
EOS-3-28283,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nn5)n34)cn2)n1,MCCSNIRJMCHDMK-UHFFFAOYSA-N,3,1,0.472,27,52,464.411,3.945,5,0.385,0.72,0.999,0.5833304776917277,0.6843173874306079,0.8095829620999246,0.6222842848331163,0.6748787780138442
EOS-3-28284,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)c(OC)c4)n23)n1,PQQAXKSNQILCGT-UHFFFAOYSA-N,3,1,0.5,15,771,457.494,3.226,5,0.35,0.68,1.0,0.4387893221849085,0.11042766088684805,0.26243917483380164,0.10653827702008087,0.22954860873140978
EOS-3-28285,CC(C)(F)C#Cc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,NURPWLJYEBOVEE-UHFFFAOYSA-N,3,1,0.649,90,12,421.863,4.518,4,0.453,0.72,1.0,0.967788362689329,0.9554262901788774,0.9550921801110274,0.8975738468919197,0.9439701699677884
EOS-3-28286,c1cnnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nccs5)nc4)n23)c1,ZWFFXYOVKNEARF-UHFFFAOYSA-N,3,1,0.255,70,114,436.464,3.224,6,0.41,0.6,0.987,0.051213076554040164,0.1162446028373655,0.07333287643067644,0.10443938043999726,0.08630748406551983
EOS-3-28287,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OCc4cc(C)n(C)n4)n23)cc1,KVWXYDNUIIIGKN-UHFFFAOYSA-N,3,1,0.324,52,124,454.494,2.834,5,0.42,0.58,1.0,0.19021999862929204,0.10734356795284765,0.1690168597080392,0.06031115070934138,0.13172289424988007
EOS-3-28288,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,XGQDCWMQUFWJKT-UHFFFAOYSA-N,3,1,0.307,70,522,450.441,3.245,6,0.376,0.64,0.98,0.18437735590432458,0.23245493797546432,0.35476492358303063,0.36282639983551507,0.28360590432458366
EOS-3-28289,c1ncc(-c2cc(Cc3cncc4nnc(-c5cnc(-c6ccno6)cn5)n34)ncn2)cn1,NBNQINZVZAWPLU-UHFFFAOYSA-N,3,1,0.265,86,165,435.411,2.074,6,0.392,0.59,1.0,0.07300733328764307,0.03477314783085464,0.10399390034953053,0.10654684394489754,0.07958030635323145
EOS-3-28290,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)nc1,VUPGKZLIDMVEFL-UHFFFAOYSA-N,3,1,0.29,70,687,421.424,3.304,6,0.426,0.65,1.0,0.05278082379549037,0.04130114454115551,0.2955589061750394,0.2665512987458022,0.16404804331437187
EOS-3-28291,Fc1ncccc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5nccs5)cc4)n23)cn1,PPHAEKYVDXFHCF-UHFFFAOYSA-N,3,1,0.303,42,106,452.478,4.573,6,0.362,0.75,1.0,0.2011942293194435,0.3529830032211637,0.47116373106709614,0.49441436501953256,0.37993883215680896
EOS-3-28292,CCc1nc(C)cnc1COc1cncc2nnc(-c3cnc(C(C)(F)F)c(F)c3)n12,FGYJRMMZKJHCMF-UHFFFAOYSA-N,3,1,0.466,68,127,429.406,3.677,4,0.462,0.62,1.0,0.6202196559522993,0.6599873209512713,0.49862929202933315,0.3273336303200603,0.526542474813241
EOS-3-28293,Cc1nnc(-c2cc(F)nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)s1,HRNFMUOTHVSDER-UHFFFAOYSA-N,3,1,0.554,4,554,453.89,4.385,5,0.364,0.75,1.0,0.8194177917894593,0.9120519498320883,0.467891165787129,0.5375916660955383,0.6842381433760537
EOS-3-28294,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5c(F)cccc5F)n34)n2)cc1,MMUCISBAJVTGSM-UHFFFAOYSA-N,3,1,0.286,39,144,472.394,3.308,6,0.384,0.67,0.911,0.03770303611815503,0.18058220821054075,0.3957833596052361,0.5799551093139607,0.2985059283119731
EOS-3-28295,Cc1ncc(COc2cncc3nnc(-c4cc(F)cc(-c5ccnc(Cl)c5)c4)n23)cn1,WOJXVAVROYGHFP-UHFFFAOYSA-N,3,1,0.489,16,439,447.861,4.323,5,0.37,0.69,1.0,0.8575491741484477,0.767485093550819,0.7845504077856212,0.7737046809677198,0.7958223391131519
EOS-3-28296,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1,GEQAHEAQPFFUEJ-UHFFFAOYSA-N,3,1,0.494,56,815,418.848,3.214,5,0.432,0.69,1.0,0.6646734288259887,0.5731187033102597,0.37740730587348364,0.3594081968336646,0.4936519087108492
EOS-3-28297,Fc1cnc(-c2ccccn2)nc1CCc1cncc2nnc(-c3ccc(Cl)cc3)n12,NJTFCAYEPGRWNC-UHFFFAOYSA-N,3,1,0.4,14,886,431.862,4.221,5,0.414,0.64,1.0,0.5017390857377836,0.7674936604756357,0.3883815365636351,0.5606195600027414,0.554558460694949
EOS-3-28298,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)n2)n1C,FQPJSFWRMVBZPI-UHFFFAOYSA-N,3,1,0.3,76,356,465.456,2.948,6,0.386,0.63,0.568,0.0833219107669111,0.16770612021108902,0.05698718388047427,0.1159276266191488,0.1059857103694058
EOS-3-28299,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1c[nH]cn1,DKKMBVNMCOXJGW-UHFFFAOYSA-N,3,1,0.456,73,379,440.801,3.482,5,0.417,0.62,1.0,0.922529298882873,0.7501542046467,0.6881125351243917,0.729936262079364,0.7726830751833322
EOS-3-28300,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnccc4Cl)n23)cc1Cl,YISSMICLTHIQBV-UHFFFAOYSA-N,3,1,0.5,16,772,452.305,4.473,5,0.391,0.69,1.0,0.7254643273250634,0.6402491261736687,0.8384963333561785,0.8598279761496813,0.766009440751148
EOS-3-28301,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4Cl)n23)cs1,NYXHOVFECNNHHU-UHFFFAOYSA-N,3,1,0.537,73,82,453.89,4.385,5,0.39,0.76,1.0,0.6615293674182715,0.7717257213350696,0.46075491741484476,0.4854105270372147,0.5948551333013501
EOS-3-28302,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)o1,ZJLLWNCSNQHRNJ-UHFFFAOYSA-N,3,1,0.317,86,812,423.44,3.247,6,0.429,0.63,0.95,0.08131725035981084,0.03760023302035501,0.22297135220341308,0.18237269549722432,0.13106538277020083
EOS-3-28303,Cc1c(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc(Cl)c1F,DQQZNISOLJYVGR-UHFFFAOYSA-N,3,1,0.757,23,86,435.261,5.306,4,0.427,0.8,1.0,0.9868754711808649,0.9888544308135152,0.9806730176135974,0.9866612980604482,0.9857660544171064
EOS-3-28304,COCc1ncc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)c(-c2ccc(F)cn2)n1,NDQZNZHQSKCYCP-UHFFFAOYSA-N,3,1,0.276,50,261,449.837,3.039,5,0.399,0.61,0.809,0.46927900760742924,0.490148036460832,0.16902542663285586,0.2635957096840518,0.34801204509629224
EOS-3-28305,Cc1ccc(-c2nnc3cncc(Cc4cc(Cl)c(-c5cccc(F)c5)nn4)n23)cc1,IFEIGVFTSQQEDV-UHFFFAOYSA-N,3,1,0.415,14,358,430.874,4.94,5,0.404,0.75,1.0,0.4481272702350764,0.5543485710369406,0.7685131245288191,0.847740045233363,0.6546822527585499
EOS-3-28306,FC(F)(F)COc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccccc5)n4)n23)cc1,JXPJDWQRNLFSBP-UHFFFAOYSA-N,3,1,0.537,1,431,467.411,3.892,5,0.359,0.76,1.0,0.49921184291686654,0.495048317455966,0.8480741553012131,0.7299448290041807,0.6430697861695566
EOS-3-28307,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ncccc5F)ncn4)n23)n1,RBSVEODAIBHWGQ-UHFFFAOYSA-N,3,1,0.411,31,194,451.853,2.791,5,0.387,0.65,0.825,0.45969261873757794,0.37211294633678293,0.17862894935234047,0.2603574121033514,0.31769798163251317
EOS-3-28308,Cn1nnnc1-c1ncccc1-c1cncc2nnc(-c3ccc(-c4cocn4)cc3)n12,VLPQWKXZRUWOMA-UHFFFAOYSA-N,3,1,0.3,25,213,422.412,2.699,6,0.421,0.6,1.0,0.10762627647179768,0.07472071825097663,0.08950723048454527,0.13145089438695087,0.10082627989856763
EOS-3-28309,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)nc1,USPHSQZKCSUMHC-UHFFFAOYSA-N,3,1,0.56,75,420,430.859,3.579,5,0.416,0.61,1.0,0.48923137550544854,0.5836303200603111,0.34694332122541294,0.3628349667603317,0.4456599958878761
EOS-3-28310,Cc1nc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)cc(C(F)F)n1,CUYHZPVCAQXIHJ-UHFFFAOYSA-N,3,1,0.457,4,712,454.372,3.595,5,0.379,0.67,1.0,0.7372695497224316,0.7546604071002673,0.655275512302104,0.5312007401823041,0.6696015523267768
EOS-3-28311,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccoc5)n4)n23)cc1,GRFCKYBDZMCJMU-UHFFFAOYSA-N,3,1,0.556,27,996,454.368,4.319,5,0.374,0.72,1.0,0.9346857651977246,0.8700311836063327,0.9278921938181071,0.8531200740182304,0.8964323041600987
EOS-3-28313,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1cccnn1,NUJFWARVSYDNCJ-UHFFFAOYSA-N,3,1,0.576,72,669,447.861,4.057,5,0.362,0.69,1.0,0.9657580015077788,0.9563515180590775,0.75007710232335,0.7760434514426702,0.8620575183332191
EOS-3-28314,Cn1ncc(-c2cncc3nnc(-c4cc(F)c(Cl)cc4F)n23)c1-c1ncccn1,MNFVMFSCAVYLGH-UHFFFAOYSA-N,3,1,0.321,22,575,424.802,3.58,5,0.411,0.66,1.0,0.21474710437941197,0.4008207113974368,0.652516962511137,0.7459050099376328,0.5034974470564046
EOS-3-28315,Fc1ncccc1-n1cc(-c2cncc3nnc(-c4cnc(-c5cncc(Cl)c5)nc4)n23)nn1,YYEBEVIMCCLSMQ-UHFFFAOYSA-N,3,1,0.273,86,780,471.847,3.079,6,0.356,0.71,1.0,0.014666575286135288,0.13713076554040163,0.3028236584195737,0.4165752861352889,0.21779907134534987
EOS-3-28316,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)cc1,LINQHRCESRAVML-UHFFFAOYSA-N,3,1,0.288,9,98,447.506,4.435,6,0.419,0.73,1.0,0.06696765129189226,0.05980570214515797,0.1916592419984922,0.20749091905969433,0.1314808786238092
EOS-3-28317,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nc(C)cn5C)c4)n23)nc1,ZOJWSPGQXXARIU-UHFFFAOYSA-N,3,1,0.38,33,760,456.47,1.624,5,0.404,0.59,0.383,0.30893187581385784,0.0747292851757933,0.042868891782605716,0.013544308135151806,0.11001859022685216
EOS-3-28318,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Oc5ncccn5)cc4)n23)n1,JASOLOHZPPCEDJ-UHFFFAOYSA-N,3,1,0.586,11,848,429.415,3.529,5,0.362,0.71,1.0,0.9336406003700911,0.8670070591460489,0.4465852237680762,0.35941676375848125,0.6516624117606744
EOS-3-28319,Oc1c(F)cccc1-n1cc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)nn1,ICFYWLFUWTVQIR-UHFFFAOYSA-N,3,1,0.269,10,298,451.425,3.341,6,0.433,0.58,0.856,0.08132581728462751,0.18466006442327462,0.3920053457610856,0.47912240422178054,0.2842784079226921
EOS-3-28320,Cn1nnc(-c2cc(F)c(COc3cncc4nnc(-c5ccnc(CF)c5)n34)cn2)n1,HFWHITMBUIYDHY-UHFFFAOYSA-N,3,1,0.448,36,728,436.386,1.959,5,0.393,0.62,0.998,0.48178671783976423,0.3624494551435817,0.17863751627715715,0.18238126242204097,0.301313737920636
EOS-3-28322,Cc1cccc(-c2ncsc2-c2nnc3cncc(-c4nnn(-c5ccccc5F)n4)n23)c1,GBBIWJPVSPPZRM-UHFFFAOYSA-N,3,1,0.304,10,158,455.482,4.005,6,0.396,0.65,1.0,0.01552326776780207,0.10392536495099719,0.1411229525049688,0.26036597902816805,0.130234391062984
EOS-3-28323,Cn1cnnc1-c1nccc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,JHQKWFAZGDCASD-UHFFFAOYSA-N,3,1,0.359,56,789,438.415,1.954,6,0.423,0.58,1.0,0.45527208553217735,0.3143204715235419,0.042877458707422385,0.03439620313892125,0.21171655472551573
EOS-3-28324,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)[nH]4)n23)nc1,BXPOBIBDWWSCLM-UHFFFAOYSA-N,3,1,0.315,10,407,454.885,3.692,6,0.431,0.62,0.984,0.06510006168185868,0.22259440751147969,0.33954149818381196,0.43848947981632513,0.2664313617983689
EOS-3-28325,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)c5)n34)cc2)cn1,IMPAHZAHRCBAJV-UHFFFAOYSA-N,3,1,0.506,27,343,463.423,4.55,5,0.378,0.73,1.0,0.9115722020423549,0.8353008703995614,0.9418562812692756,0.8303748886299774,0.8797760605852923
EOS-3-28326,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)nn2)s1,FJCSMOJPDCAWHC-UHFFFAOYSA-N,3,1,0.433,54,910,437.435,3.87,5,0.412,0.66,0.93,0.6315622644095675,0.6122438489479817,0.5536803509012405,0.5576040024672744,0.588772616681516
EOS-3-28327,COc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)cc3Cl)n12,XANSSVFQIJVKNW-UHFFFAOYSA-N,3,1,0.54,35,325,459.897,3.927,5,0.361,0.69,1.0,0.8939757384689192,0.855167569049414,0.529967103008704,0.4577393598793777,0.6842124426016036
EOS-3-28328,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)nc4)n23)cc1,NFOADVIHVLLXNQ-UHFFFAOYSA-N,3,1,0.467,89,656,482.479,3.254,6,0.351,0.85,1.0,0.6259680625042835,0.24802104036734973,0.25876396408745117,0.257453224590501,0.34755157288739635
EOS-3-28329,COc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncc(F)cn5)c4)n23)ncn1,FVQHQKLYDCSORZ-UHFFFAOYSA-N,3,1,0.439,65,491,445.418,2.202,5,0.368,0.64,1.0,0.658111164416421,0.5404615859091221,0.18175587691042425,0.12274689877321637,0.37576888150229587
EOS-3-28330,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)c1,QDGXPSFACFQJIW-UHFFFAOYSA-N,3,1,0.443,81,218,451.45,3.216,6,0.376,0.65,1.0,0.31159618943184153,0.14458399013090262,0.2587725310122678,0.207499485984511,0.23061304913988073
EOS-3-28331,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(F)n4)n23)ccn1,NVPABDJXOZPORO-UHFFFAOYSA-N,3,1,0.457,20,279,417.408,2.137,5,0.413,0.71,1.0,0.5426547186621891,0.4100558563498047,0.19512027962442602,0.17126996093482283,0.3297752038928107
EOS-3-28332,Cc1nc(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)nc2)c(C)n1,ZBVYBIWPDVZZEF-UHFFFAOYSA-N,3,1,0.284,50,432,444.449,4.568,5,0.401,0.69,0.991,0.25547426495785075,0.2734990747721198,0.5735470495510931,0.4733311630457131,0.39396288808169416
EOS-3-28333,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccn1,LKCFDLLNSXWNFD-UHFFFAOYSA-N,3,1,0.482,7,980,420.383,2.839,5,0.431,0.65,1.0,0.6403347954218354,0.42397710917688985,0.6377561510520183,0.5830734699472278,0.5712853813994929
EOS-3-28334,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)c1,LUBGYXLWKPZGBV-UHFFFAOYSA-N,3,1,0.4,46,980,420.383,2.839,5,0.431,0.64,1.0,0.5247412788705367,0.3286358028921938,0.637764717976835,0.5890617503940785,0.520050887533411
EOS-3-28335,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)cn2)nc1,GCXNZLBNYSUXAX-UHFFFAOYSA-N,3,1,0.297,42,664,453.416,3.774,6,0.375,0.68,0.995,0.011479679254334864,0.18908916455349187,0.6800681927215406,0.6947262010828593,0.39384080940305666
EOS-3-28336,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5sc(Cl)nc5C)n34)cn2)n1,KKOOLSVODIEAMW-UHFFFAOYSA-N,3,1,0.448,55,283,440.876,3.542,5,0.404,0.67,1.0,0.5803149201562607,0.6170927283942156,0.042886025632239054,0.04512199300938935,0.32135391679802616
EOS-3-28337,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccn1,KPEMYNRDSHNAOI-UHFFFAOYSA-N,3,1,0.523,7,624,436.838,3.353,5,0.417,0.6,1.0,0.5322544719347543,0.5130902611198684,0.6315194297854843,0.6135717222945651,0.5726089712836681
EOS-3-28338,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cncnn5)n4)n23)c1F,RCRLJEZNLITBPE-UHFFFAOYSA-N,3,1,0.261,39,527,457.368,1.354,6,0.377,0.6,0.195,0.01626859022685217,0.09443321225412926,0.05530806661640737,0.14030909464738536,0.07657974093619355
EOS-3-28339,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4cnc(-c5ccc(F)nn5)nc4)n23)ncn1,VEOGXHJQSFRWIB-UHFFFAOYSA-N,3,1,0.267,86,780,452.417,2.035,6,0.39,0.59,0.836,0.1540333082036872,0.14459255705571927,0.08195976972106092,0.09412480296072921,0.11867760948529915
EOS-3-28340,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(O)c5)n34)c2)nn1,ALWMCLSSWJDNMK-UHFFFAOYSA-N,3,1,0.506,84,73,425.452,3.279,5,0.441,0.65,1.0,0.4668374340346789,0.3092317181824412,0.39946713727640326,0.3240353642656432,0.3748929134397917
EOS-3-28341,COc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1nc(C)c(C)n1C,PDDBBAHORKDHHE-UHFFFAOYSA-N,3,1,0.455,31,456,456.51,3.229,5,0.368,0.7,1.0,0.3413833870193955,0.05206976903570694,0.06086800082242478,0.02378178329106984,0.11952573504214926
EOS-3-28342,Clc1cccc(COc2ccc(-c3nnc4cncc(Cc5ccccc5)n34)cn2)c1,CLJCMSQQMVCBSS-UHFFFAOYSA-N,3,1,0.419,79,824,427.895,5.01,5,0.381,0.83,1.0,0.45970118566239465,0.6122524158727983,0.8227160578438764,0.8363289013775616,0.6827496401891577
EOS-3-28343,FC(F)c1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5)nn4)n23)cn1,PXMATYIJEWKNAK-UHFFFAOYSA-N,3,1,0.711,27,104,420.383,3.284,5,0.416,0.73,1.0,0.1568261256939209,0.2943595367007059,0.5633267082448085,0.5076159961620177,0.38053209170036323
EOS-3-28344,COc1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(C)c(F)c5)nc4)n23)nc1,VXLBMJAIOGEWTA-UHFFFAOYSA-N,3,1,0.347,82,856,413.416,3.766,5,0.443,0.78,1.0,0.45291618120759375,0.5543571379617572,0.5955040778562127,0.5276883010074703,0.5326164245082585
EOS-3-28345,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)c(F)cn4)n23)nc1,VRCJWLHOZUYEMS-UHFFFAOYSA-N,3,1,0.256,99,813,454.433,1.978,6,0.392,0.58,0.999,0.12643067644438352,0.23760365979028167,0.10141525597971353,0.12511993694743334,0.147642382290453
EOS-3-28346,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(C)c(C)c5)n34)nn2)o1,QVXRJYDUWDJWOA-UHFFFAOYSA-N,3,1,0.268,39,14,462.477,3.681,6,0.382,0.65,0.987,0.12368069357823316,0.031680487972037555,0.08196833664587759,0.07962956617092729,0.07923977109176891
EOS-3-28347,COc1ncc(-c2ncc(F)cn2)cc1-c1nnc2cncc(OCCc3ncccc3C)n12,PAJYCDGJQYCOFT-UHFFFAOYSA-N,3,1,0.484,65,657,458.457,3.116,5,0.363,0.69,1.0,0.6230810088410664,0.45032896991296006,0.17220375573983962,0.11111301487218148,0.33918168734151194
EOS-3-28348,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)nn5)ccn4)n23)c(F)c1,WRGQQAGLPKAUNL-UHFFFAOYSA-N,3,1,0.56,73,10,452.812,3.549,5,0.399,0.65,1.0,0.7552686587622507,0.8987560825166199,0.6525255294359537,0.7085446508121445,0.7537737303817421
EOS-3-28349,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccsc5)n4)n23)cc1Cl,GZTHPQWRVJFIST-UHFFFAOYSA-N,3,1,0.536,73,401,438.875,4.681,5,0.396,0.74,1.0,0.8167791789459256,0.8700397505311493,0.7685216914536358,0.807638270166541,0.815744722774313
EOS-3-28350,COCc1cc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)c1,HFUSFVQASSZACO-UHFFFAOYSA-N,3,1,0.489,16,815,457.469,3.816,5,0.364,0.68,1.0,0.5067593036803509,0.4503375368377767,0.6583253375368378,0.5410355698718388,0.5391144369817011
EOS-3-28351,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5cnc(CO)cn5)n34)c2)cn1,WHKDENPOYOLITG-UHFFFAOYSA-N,3,1,0.44,7,828,427.428,1.813,5,0.427,0.63,1.0,0.38283016928243435,0.207370982112261,0.17547632101980673,0.11593619354396546,0.22040341648961687
EOS-3-28352,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(Cl)nc(C)c4F)n23)nc1,ZMKHGGHJYOFAOM-UHFFFAOYSA-N,3,1,0.383,63,505,411.828,2.633,4,0.518,0.67,0.999,0.22040984168322938,0.24802960729216642,0.3583458981563978,0.3088119388664245,0.28389932149955455
EOS-3-28353,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(Cc5cccc(Cl)c5)n4)n23)cn1,RDHYFQJJONPEEC-UHFFFAOYSA-N,3,1,0.328,29,849,483.923,3.175,6,0.39,0.79,0.979,0.1703190322801727,0.20737954903707764,0.05885477349050785,0.14747104379411966,0.14600609965046946
EOS-3-28354,Fc1cc(Cl)ccc1-c1nnc2cncc(Cc3ccc(-c4cncnn4)nn3)n12,CGCSNHNGYIGGHG-UHFFFAOYSA-N,3,1,0.366,22,487,419.811,2.817,5,0.437,0.61,1.0,0.3874220409841683,0.5638064560345418,0.41708073469947227,0.5671732574874923,0.48387062230141864
EOS-3-28355,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cn4)c3)n12,FSMMIDJPBNCQQP-UHFFFAOYSA-N,3,1,0.598,75,583,447.861,4.057,5,0.387,0.65,1.0,0.8644712494003153,0.8726183949009664,0.7089644301281612,0.7327890480433144,0.7947107806181894
EOS-3-28356,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)cn5)nnn4)n23)cc1F,DMFQSCNHCSHUQD-UHFFFAOYSA-N,3,1,0.444,36,788,472.444,1.819,5,0.388,0.64,1.0,0.42751524912617367,0.3383164279350284,0.15943903776300458,0.10023302035501336,0.25637593379480506
EOS-3-28357,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,QOPRCXMYYMLYFP-UHFFFAOYSA-N,3,1,0.367,9,867,449.434,3.369,6,0.386,0.62,1.0,0.35054999657323005,0.08833356178466177,0.4208073469947228,0.3369971215132616,0.29917200671646904
EOS-3-28358,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncc(CO)c5)cnn4)n23)cc1,LNTCEQSRAKMZHW-UHFFFAOYSA-N,3,1,0.479,89,731,454.45,1.814,5,0.375,0.7,1.0,0.45058597765746006,0.1598331163045713,0.39201391268590224,0.2545576040024673,0.31424765266260024
EOS-3-28359,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,MFGLZYDBGPILDL-UHFFFAOYSA-N,3,1,0.417,92,905,433.863,3.092,5,0.402,0.64,0.999,0.3240610650400932,0.3674611061613323,0.2587810979370845,0.25142210951956684,0.3004313446645192
EOS-3-28361,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)ncn2)nn1,MYKXICVAFIFZFH-UHFFFAOYSA-N,3,1,0.539,44,481,446.421,3.246,5,0.392,0.63,0.866,0.7642125282708518,0.5836388869851278,0.5536889178260571,0.5241929956822698,0.6064333321910766
EOS-3-28362,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)o2)c1,UDCQVDMHYPGGNF-UHFFFAOYSA-N,3,1,0.368,30,541,452.865,4.619,6,0.381,0.76,0.999,0.11844630251524912,0.2889366732917552,0.4029538756767871,0.527696867932287,0.33450842985401963
EOS-3-28363,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nc[nH]n5)nc4)n23)cc1F,LDHSQMONYYPOKJ-UHFFFAOYSA-N,3,1,0.458,56,415,469.444,2.485,6,0.39,0.63,1.0,0.6615379343430882,0.5836474539099444,0.255182989514084,0.23385991364539785,0.4335570728531286
EOS-3-28364,c1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)c2)nc1,NRFZRPRJOREGFD-UHFFFAOYSA-N,3,1,0.322,32,174,427.471,4.977,6,0.395,0.8,1.0,0.08566924816667809,0.07804468507984375,0.6800767596463574,0.7055719279007607,0.38734065519841
EOS-3-28365,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5ncon5)c4)n23)ccc1Cl,SBAZGHZYZUBJSI-UHFFFAOYSA-N,3,1,0.523,16,67,435.831,3.477,5,0.395,0.67,1.0,0.8441419368103625,0.7675022274004524,0.5166626687684189,0.4514683709135769,0.6449438009732027
EOS-3-28366,Fc1cc(-c2ccncn2)ccc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,POHDVXKRWGYKDA-UHFFFAOYSA-N,3,1,0.313,30,498,447.437,3.906,6,0.4,0.61,1.0,0.22041840860804607,0.28370228222877114,0.47797443629634706,0.5766225755602769,0.3896794256733603
EOS-3-28367,FC(F)n1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)cc1,DSXPGWHGQFTCNV-UHFFFAOYSA-N,3,1,0.324,98,618,457.408,3.088,6,0.388,0.61,1.0,0.005088753341100679,0.11625316976218217,0.3357806181892948,0.3336988554588445,0.19770534918785554
EOS-3-28368,Cc1nc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CCC6)cc5)n34)nc2)nn1C,LLVLRMGHHFUWRX-UHFFFAOYSA-N,3,1,0.39,52,310,481.52,3.365,6,0.391,0.85,1.0,0.2987286683572065,0.11626173668699884,0.018504557604002467,0.018581659927352476,0.11301915564389009
EOS-3-28369,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ncn2)cn1,WDRGUQARAULEJW-UHFFFAOYSA-N,3,1,0.394,44,971,451.277,4.446,5,0.395,0.69,0.999,0.5803234870810774,0.5731272702350764,0.5829106983757111,0.6568175587691042,0.5982947536152422
EOS-3-28370,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)n(C)n5)n34)cn2)cn1,NRKFXAWXKFKAQP-UHFFFAOYSA-N,3,1,0.438,92,282,433.863,2.918,5,0.416,0.64,1.0,0.36894318415461586,0.5175536289493523,0.22657802755123022,0.19583133438420944,0.32722654375985194
EOS-3-28371,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1F,FTOVKYRIWVTWOS-UHFFFAOYSA-N,3,1,0.56,35,353,433.422,3.487,5,0.408,0.63,1.0,0.8733037488862998,0.8052823658419573,0.6935868000822425,0.6714755671304229,0.7609121204852307
EOS-3-28372,Fc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncccn1,HNLKPQXHUNYMNC-UHFFFAOYSA-N,3,1,0.456,18,578,448.849,3.452,5,0.364,0.66,1.0,0.9021143170447536,0.8582602289082311,0.43563669385237475,0.47018710163799604,0.6665495853608389
EOS-3-28373,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnn5)n4)n23)cn1,VWRGBOHQPIPVEM-UHFFFAOYSA-N,3,1,0.366,6,843,463.465,2.413,6,0.362,0.66,0.992,0.43648481940922484,0.2632101980673018,0.0776848742375437,0.0587348365430745,0.2090286820642862
EOS-3-28374,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccc2F)nc1,HBIHZSKONAOWCL-UHFFFAOYSA-N,3,1,0.527,88,490,448.408,4.287,5,0.386,0.68,1.0,0.9559146048934275,0.9591786032485778,0.8784096360770338,0.8853231444040847,0.919706497155781
EOS-3-28375,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccnc4-c4cccnc4)n23)cc1,OKRYMNYWPFRGIW-UHFFFAOYSA-N,3,1,0.478,40,8,461.489,3.623,6,0.37,0.65,1.0,0.5017476526626002,0.3041857994654239,0.28106366938523747,0.23682406963196492,0.33095529778630667
EOS-3-28376,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)c1,AUQSQPVLQACDDB-UHFFFAOYSA-N,3,1,0.409,46,94,434.822,3.41,5,0.387,0.66,1.0,0.6036255225824139,0.602409019258447,0.5399818381193887,0.5830820368720444,0.5822746042080735
EOS-3-28377,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)n5)ncc4Cl)n23)cn1,GOGNSPLBFVEDMX-UHFFFAOYSA-N,3,1,0.417,92,185,476.888,1.969,5,0.389,0.69,1.0,0.5167826057158522,0.5085754917414845,0.1260879994517168,0.08648310602426153,0.3094823007333287
EOS-3-28378,Cc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccc1F,PFZXMDNITCHSIU-UHFFFAOYSA-N,3,1,0.554,34,929,446.873,4.928,5,0.381,0.79,1.0,0.9130799808100885,0.9616972791446782,0.8575063395243643,0.8711448838324994,0.9008571208279076
EOS-3-28379,Fc1ncc(Cl)c(F)c1COc1cncc2nnc(-c3cccc(-c4ncncn4)c3)n12,NSTPTQVRVOSPQT-UHFFFAOYSA-N,3,1,0.488,73,337,452.812,3.549,5,0.373,0.64,1.0,0.8511925159344802,0.8245922143787267,0.7637927489548352,0.7587468302378179,0.799581077376465
EOS-3-28380,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)nc1,YPOJOTSMUGGMQJ-UHFFFAOYSA-N,3,1,0.417,31,65,454.878,3.514,5,0.384,0.64,1.0,0.7552772256870673,0.7088359262559112,0.26956685628126925,0.3628435336851484,0.524130885477349
EOS-3-28381,Cc1ccc(-c2nnc3cncc(OCc4ncc(F)c(C)n4)n23)cc1-c1cnnn1C,JTBVSGCIIRJANM-UHFFFAOYSA-N,3,1,0.457,36,79,431.435,2.712,5,0.418,0.63,1.0,0.3917826057158522,0.4329038448358577,0.19854704955109315,0.14997258584058668,0.2933015214858474
EOS-3-28382,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnco5)ncn4)n23)cc1,AJHGMGHGNTWXOM-UHFFFAOYSA-N,3,1,0.297,98,890,423.4,2.094,6,0.414,0.61,1.0,0.13223048454526762,0.044933520663422655,0.0869971215132616,0.09219724487697896,0.0890895928997327
EOS-3-28384,Cc1cnccc1-c1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ncn1,OOHRRRAAJPVGIA-UHFFFAOYSA-N,3,1,0.612,44,130,427.443,3.712,5,0.408,0.66,0.999,0.6947947364813927,0.5595144267013913,0.5668220135700089,0.5312093071071208,0.5880851209649783
EOS-3-28385,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)nc1,NTXWLGJMEBKLJE-UHFFFAOYSA-N,3,1,0.315,38,7,417.436,3.7,6,0.466,0.7,1.0,0.09066376533479542,0.13009732026591736,0.4170893016242889,0.4134826262764718,0.26283325337536834
EOS-3-28386,Cc1ccc(-c2nnc3cncc(OCc4c(F)c(Cl)nc(Cl)c4Cl)n23)nc1,NUECXBNMLVDGBI-UHFFFAOYSA-N,3,1,0.446,90,244,439.665,4.568,4,0.434,0.7,1.0,0.7315811116441642,0.7458964430128161,0.8544822150640806,0.9001781920361867,0.808034490439312
EOS-3-28387,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2F)c1,ZOHGIDZYRBWZJF-UHFFFAOYSA-N,3,1,0.506,13,145,438.825,4.916,5,0.398,0.77,1.0,0.7611798368857515,0.8129326297032418,0.9391748338016586,0.9418477143444589,0.8637837536837777
EOS-3-28388,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cn[nH]c5)c4)n23)cc1,VTDYBUVSXXWFFW-UHFFFAOYSA-N,3,1,0.278,98,642,420.44,3.039,6,0.466,0.62,1.0,0.10534747447056404,0.08508669727914468,0.36950860119251594,0.37242135563018297,0.2330910321431019
EOS-3-28390,CC(C)(C)NC(=O)c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccn1,NIZBAHBMNTVEJK-UHFFFAOYSA-N,3,1,0.38,63,108,486.536,2.581,5,0.407,0.86,0.995,0.2370125419779316,0.09127201699677884,0.047692070454389696,0.011154136111301487,0.09678269138510041
EOS-3-28391,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)[nH]4)n23)cn1,PLIIVUPBTKLVOA-UHFFFAOYSA-N,3,1,0.333,10,407,454.885,3.692,6,0.431,0.63,0.877,0.16218902062915497,0.2528784867384004,0.35835446508121443,0.45774792680419435,0.30779247481324107
EOS-3-28392,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3cccc(-c4ncccn4)n3)n12,UYFKTNXMAOCYRU-UHFFFAOYSA-N,3,1,0.333,76,259,462.477,3.114,6,0.38,0.62,1.0,0.16498183811938866,0.026360427660886847,0.15612363785895414,0.12051093139606607,0.11699420875882392
EOS-3-28393,COc1cc(-c2nnc3cncc(Cc4cnc(Cc5ccc(F)nc5)cn4)n23)ccc1Cl,WISFWRNAFBZTFQ-UHFFFAOYSA-N,3,1,0.408,85,81,461.888,3.959,5,0.353,0.71,1.0,0.6431361798368858,0.6745253923651566,0.6963539167980262,0.6714841340552395,0.671374905763827
EOS-3-28394,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(C#N)c5)nc4)n23)n1,LNGBIQPSQIRLPI-UHFFFAOYSA-N,3,1,0.489,4,92,443.467,4.208,5,0.401,0.75,1.0,0.6708416146939894,0.7227657460078131,0.6315279967103009,0.5981084230004797,0.6558109451031457
EOS-3-28396,Cn1nc(-c2nnnn2C)cc1-c1cncc2nnc(-c3cnc(-c4cccs4)nc3)n12,FUWZOWKWGJUJIW-UHFFFAOYSA-N,3,1,0.26,99,286,442.472,1.901,6,0.402,0.62,1.0,0.03771160304297169,0.06376362141045851,0.008455554794051127,0.00786443698170105,0.029448804057295594
EOS-3-28397,CNC(=O)c1ccc(-c2nnc3cncc(-c4occc4Oc4ccccc4)n23)cn1,HNVTUUPDDHTRMY-UHFFFAOYSA-N,3,1,0.32,82,586,412.409,3.598,5,0.47,0.81,0.981,0.31160475635665824,0.19809300253580975,0.28474744705640465,0.2137019395517785,0.2520367863751628
EOS-3-28398,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)n5)nn4)n23)cn1,FFYUZTKVVJUBLA-UHFFFAOYSA-N,3,1,0.358,86,944,451.429,2.64,6,0.398,0.58,0.867,0.16761188403810567,0.21714584332807896,0.17548488794462339,0.19044273867452538,0.18767133849633333
EOS-3-28399,Cc1nc(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)n[nH]4)n23)ccc1F,RKDNWONQSYOEQC-UHFFFAOYSA-N,3,1,0.436,4,963,420.383,3.137,5,0.435,0.72,0.998,0.41128092659858817,0.3580117880885477,0.5891559865670619,0.537600233020355,0.4740122335686382
EOS-3-28400,COc1ccc(-c2nnc3cncc(OCc4cc[nH]n4)n23)cc1-c1cnc(C)c(F)c1,WDXQQHYFHFTCNT-UHFFFAOYSA-N,3,1,0.449,4,677,431.431,3.612,5,0.438,0.64,1.0,0.6120468096771983,0.5785244328695771,0.6552840792269207,0.4944229319443493,0.5850695634295113
EOS-3-28401,N#Cc1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)ncn1,RLJRGWWGWFRNNL-UHFFFAOYSA-N,3,1,0.619,43,11,457.856,4.491,5,0.383,0.73,1.0,0.9621513261599616,0.9392433692001919,0.9262473442533068,0.9203275992049894,0.9369924097046124
EOS-3-28402,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cs1,GYZKZSATYLUGJJ-UHFFFAOYSA-N,3,1,0.615,36,32,423.889,3.881,5,0.426,0.7,1.0,0.8142005345761085,0.7886196970735385,0.3735864574052498,0.44835857720512645,0.6061913165650058
EOS-3-28403,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cc(Cl)ncn5)c4)n23)nc1,CKAGKZDZSZFBFR-UHFFFAOYSA-N,3,1,0.371,46,915,452.265,3.319,5,0.37,0.62,0.998,0.6551384415050373,0.6745339592899733,0.43187581385785756,0.5312178740319375,0.5731915221712014
EOS-3-28404,Cn1cc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)nn2C)cn1,IVCHUMAOLDURPM-UHFFFAOYSA-N,3,1,0.368,92,105,422.84,1.948,5,0.395,0.69,0.904,0.17862894935234047,0.2027105750119937,0.07971523541909396,0.08136008498389419,0.13560371119183057
EOS-3-28405,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c2)nc1,FPGGLVRAAVDGRQ-UHFFFAOYSA-N,3,1,0.462,18,263,450.384,3.077,5,0.389,0.6,1.0,0.8417174970872455,0.6992752381605098,0.6286923445959838,0.6278613528887671,0.6993866081831266
EOS-3-28406,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5)ncn4)n23)cn1,HZUDTADXWRGUHW-UHFFFAOYSA-N,3,1,0.5,27,69,432.394,3.555,5,0.401,0.64,0.999,0.6120553766020149,0.6171012953190322,0.6990182304160099,0.592274347200329,0.6301123123843465
EOS-3-28408,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,AUVUMIPONUBIMN-UHFFFAOYSA-N,3,1,0.506,16,55,435.85,3.958,5,0.389,0.67,1.0,0.6708501816188062,0.5684325954355425,0.7298762936056473,0.7055804948255774,0.6686848913713933
EOS-3-28409,Cc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nn1,BFYRFLQAYRDYRL-UHFFFAOYSA-N,3,1,0.687,91,660,442.91,4.832,5,0.374,0.74,1.0,0.7896991296004386,0.9178174902337057,0.6827239394147077,0.7028990473579604,0.7732849016517032
EOS-3-28410,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4cccnc4-c4ccccn4)n23)ccn1,CXKWWBPSNKSXPF-UHFFFAOYSA-N,3,1,0.289,70,935,432.451,3.106,6,0.418,0.61,1.0,0.06908368172160921,0.014880748406551984,0.13179357137961759,0.16081831265848812,0.09414407854156673
EOS-3-28411,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cn1,UWTQETSSETYYQF-UHFFFAOYSA-N,3,1,0.631,84,858,443.898,4.227,5,0.388,0.66,1.0,0.6859022685216914,0.767510794325269,0.5860547597834281,0.5922829141251457,0.6579376841888835
EOS-3-28412,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5nnn[nH]5)n4)n23)nc1,SWCOAQHIGNFUGO-UHFFFAOYSA-N,3,1,0.269,76,902,438.39,2.025,6,0.433,0.56,0.998,0.18720444109382495,0.24293228702624906,0.07972380234391063,0.12714173120416694,0.1592505654170379
EOS-3-28413,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(-c5cncnn5)n4)n23)nc1,DJCWXPBLRIUAJD-UHFFFAOYSA-N,3,1,0.366,85,580,442.418,1.456,5,0.412,0.55,0.379,0.20663422657802755,0.13348125556850113,0.06903228017270921,0.07006031115070935,0.1198020183674868
EOS-3-28414,Cn1nc(-c2nnc3cncc(OCCc4cncs4)n23)cc1-c1cncc(F)c1,GCGODNPJGFPUCS-UHFFFAOYSA-N,3,1,0.451,95,569,422.449,2.804,5,0.415,0.67,0.997,0.4003666643821534,0.33832499485984513,0.16903399355767254,0.19329552463847577,0.2752552943595367
EOS-3-28415,Cn1nc(-c2ccc(F)cn2)cc1-c1nnc2cncc(OCCc3cncs3)n12,SLIXILFUDNECAP-UHFFFAOYSA-N,3,1,0.451,31,569,422.449,2.804,5,0.415,0.67,1.0,0.3689517510794325,0.3195634295113426,0.12344938660818312,0.14510657254471934,0.2392677849359194
EOS-3-28416,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c1,AEGRHRARIVVWFA-UHFFFAOYSA-N,3,1,0.628,2,294,420.383,2.839,5,0.431,0.66,1.0,0.5167911726406689,0.4856161332328148,0.7089729970529779,0.6833493249263245,0.5986824069631965
EOS-3-28417,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5F)n34)nc2)cn1,UJGGUSZMHKKSHT-UHFFFAOYSA-N,3,1,0.262,86,967,450.441,3.245,6,0.376,0.62,0.999,0.1264392433692002,0.17641868274964018,0.3176530052772257,0.3305119594270441,0.23775572270577755
EOS-3-28418,Cc1c(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc(Cl)c1F,VFHCMCAYVQLPJM-UHFFFAOYSA-N,3,1,0.532,90,255,422.222,4.659,4,0.479,0.69,1.0,0.9291258309917072,0.9287574532245905,0.9707953532999795,0.9775032554314304,0.9515454732369268
EOS-3-28419,Cc1csc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncn(C)n6)cc5F)n34)n2)n1,NVJSGVIZMVYTBU-UHFFFAOYSA-N,3,1,0.307,8,973,460.462,2.134,6,0.388,0.63,1.0,0.06510862860667535,0.25779590158316773,0.012936056473168391,0.01626859022685217,0.08802729422246591
EOS-3-28420,Fc1ccccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)on1,UHRVLEDERQQERX-UHFFFAOYSA-N,3,1,0.368,69,867,435.422,4.709,6,0.396,0.73,1.0,0.30894044273867455,0.39105441710643546,0.6748423685833733,0.6973562470015763,0.5180483688575149
EOS-3-28421,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)s1,OCLLCSIXLHOCMU-UHFFFAOYSA-N,3,1,0.483,72,628,419.445,3.731,5,0.429,0.72,1.0,0.6736601329586731,0.5543657048865739,0.40666335412240423,0.38848433966143514,0.5057933829072716
EOS-3-28422,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)ncn4)n23)c(F)c1,PNLJOSYIYXMSNK-UHFFFAOYSA-N,3,1,0.387,13,971,437.797,4.367,5,0.385,0.71,1.0,0.6460917688986362,0.727383318483997,0.8732437804125831,0.8948238640257693,0.7853856829552464
EOS-3-28423,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)nc5)n34)cn2)n1,HEQJLMHLGBPMLM-UHFFFAOYSA-N,3,1,0.297,70,968,436.439,3.007,6,0.41,0.61,1.0,0.13474916044136798,0.11043622781166472,0.11785518470289905,0.09413336988554588,0.1142934857103694
EOS-3-28424,Cc1c(F)cnc(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)c1F,JCUWABDSGOUAME-UHFFFAOYSA-N,3,1,0.523,97,666,430.418,4.414,5,0.411,0.71,1.0,0.6768641628401069,0.6024175861832637,0.7822801727092044,0.7459135768624494,0.701868874648756
EOS-3-28425,Clc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)cc1,GBIUAYDCSBLZLC-UHFFFAOYSA-N,3,1,0.35,42,136,464.88,3.816,6,0.383,0.65,0.808,0.26103419916386816,0.40082927832225346,0.32125968062504284,0.41658385306010554,0.3499267527928175
EOS-3-28426,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCc4nc(C)ns4)n23)n1,MYOHIUMGMYGCQI-UHFFFAOYSA-N,3,1,0.394,7,330,435.448,2.83,5,0.411,0.63,1.0,0.36210677815091497,0.3817336029059009,0.0495253923651566,0.05583921595504078,0.21230124734425335
EOS-3-28427,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccnc(Cl)n5)nn4)n23)cn1,WUHPCQXQAHZBAA-UHFFFAOYSA-N,3,1,0.291,99,312,457.849,1.673,6,0.358,0.64,0.745,0.006956342951134261,0.10393393187581386,0.03706908368172161,0.06031971763415804,0.05206976903570694
EOS-3-28428,CCn1c(C)nnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(C)n4)n23)ccc1F,QIZCAKUNMRZEIZ-UHFFFAOYSA-N,3,1,0.474,37,908,459.489,3.237,5,0.365,0.68,1.0,0.5665821396751423,0.517562195874169,0.06087656774724145,0.06032828455897471,0.30133729696388184
EOS-3-28429,Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)cn4)n23)c1Cl,FIMZJIIQTMRNHA-UHFFFAOYSA-N,3,1,0.429,46,223,450.865,3.662,5,0.403,0.66,0.893,0.5117880885477349,0.5404701528339387,0.5735556164759098,0.5735727503255431,0.5498466520457816
EOS-3-28430,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc(F)n1,LYLWPZWSYWAFJN-UHFFFAOYSA-N,3,1,0.494,59,910,453.84,4.097,5,0.373,0.69,0.999,0.7160492769515455,0.6795970118566239,0.8691145226509492,0.864685422520732,0.7823615584949627
EOS-3-28431,Cc1nc(-c2ccc(CO)cn2)cc(-c2nnc3cncc(OCCc4ccccn4)n23)n1,WVMBFMQEMXOSSY-UHFFFAOYSA-N,3,1,0.489,18,531,440.467,2.461,5,0.406,0.61,0.999,0.43879788910972517,0.21225412925776163,0.1531509149475704,0.11112158179699815,0.22883112877801384
EOS-3-28432,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)n1,VAYAHRUEFKFAEW-UHFFFAOYSA-N,3,1,0.442,18,531,446.421,3.246,5,0.366,0.64,1.0,0.7813635117538208,0.5595229936262079,0.4356452607771914,0.4230347474470564,0.5498916284010691
EOS-3-28433,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnnc(Cl)n6)c5)n34)cc2)n1,FMYSQWRTJRXIBR-UHFFFAOYSA-N,3,1,0.308,98,151,457.845,2.841,6,0.388,0.63,1.0,0.04799191282297306,0.16383387019395518,0.12345795353299979,0.14998115276540333,0.12131622232883285
EOS-3-28434,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)c1,YZTHVGOPWLCFCD-UHFFFAOYSA-N,3,1,0.311,32,543,465.427,4.046,6,0.359,0.72,0.999,0.21768555959152902,0.34354225207319583,0.6140086354602152,0.7085532177369611,0.4709474162154753
EOS-3-28435,FC(F)c1cccc(-c2ncc(-c3nnc4cncc(-c5nnn(-c6cncnn6)n5)n34)cn2)c1,YVDBSENQNNKMQZ-UHFFFAOYSA-N,3,1,0.288,99,286,471.395,2.014,6,0.363,0.66,0.928,0.023122130080186418,0.0780532520046604,0.15613220478377082,0.2190991021862792,0.11910167226372421
EOS-3-28436,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5F)cnn4)n23)c1,SUUDCDDKCWSSSC-UHFFFAOYSA-N,3,1,0.457,19,562,449.396,3.682,5,0.391,0.63,1.0,0.7223373997669796,0.7413302720855321,0.7947707490919059,0.832370982112261,0.7727023507641697
EOS-3-28437,Clc1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Br)cn5)n4)n23)cc1,QEXKJUBRXAPGBD-UHFFFAOYSA-N,3,1,0.435,22,844,465.702,4.121,5,0.395,0.64,1.0,0.2795987252415873,0.5731358371598931,0.4538842437118772,0.6398207799328353,0.48660989651154823
EOS-3-28438,Cc1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5F)nn4)n23)c(-c2ncccn2)n1,DNJUTMZSKBDUAQ-UHFFFAOYSA-N,3,1,0.268,86,620,451.429,2.734,6,0.372,0.62,0.995,0.006459461311767528,0.11969707353848262,0.11786375162771572,0.14511513946953603,0.09728385648687547
EOS-3-28439,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)cs1,ANYJCHIXRHPTFY-UHFFFAOYSA-N,3,1,0.511,87,76,433.472,3.774,5,0.377,0.71,1.0,0.6798454526763074,0.6215389623740663,0.4356538277020081,0.3755825508875334,0.5281551984099788
EOS-3-28440,Cc1cnncc1COc1cncc2nnc(-c3cnc(Cl)c(-c4cccnn4)c3)n12,HRFDPNSTGOVEQD-UHFFFAOYSA-N,3,1,0.418,92,875,431.847,2.974,5,0.387,0.63,1.0,0.640343362346652,0.7088444931807278,0.3583630320060311,0.3594253306832979,0.5167440545541772
EOS-3-28441,CCc1noc(-c2cncc(-c3cncc4nnc(-c5ccc(C(C)(O)CO)nc5)n34)c2)n1,CFLVYNFJPFZPIR-UHFFFAOYSA-N,3,1,0.333,82,974,444.455,2.06,5,0.398,0.69,0.918,0.2610427660886848,0.28371084915358785,0.2551915564389007,0.13355835789185114,0.23337588239325613
EOS-3-28442,c1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)c5)n34)cc2)nc1,FGGBVPWCUMSZIS-UHFFFAOYSA-N,3,1,0.329,9,867,418.42,3.965,6,0.423,0.73,1.0,0.20389281063669384,0.14095161400863546,0.4465937906928929,0.4384980467411418,0.307484065519841
EOS-3-28443,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)n(C)n1,CTRCDIYDUQYOPC-UHFFFAOYSA-N,3,1,0.523,4,617,432.875,3.523,5,0.419,0.65,1.0,0.4180573641285724,0.5404787197587554,0.33578918511411143,0.32101123980535945,0.4038341272016997
EOS-3-28444,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)cn2)nc1C,WRIVXOGSLZGNOK-UHFFFAOYSA-N,3,1,0.43,13,374,445.433,4.639,5,0.398,0.73,1.0,0.7315896785689808,0.7273918854088136,0.4886059899938318,0.44508601192515934,0.5981683914741963
EOS-3-28445,Cn1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)n1,LUMQUDKATKZBIF-UHFFFAOYSA-N,3,1,0.372,14,357,417.423,4.115,5,0.43,0.73,1.0,0.21475567130422862,0.23761222671509835,0.8352751696251114,0.7760520183674868,0.5159237715029813
EOS-3-28447,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)c(C)n1,PEROPRYAGNABKV-UHFFFAOYSA-N,3,1,0.433,65,466,425.456,2.672,5,0.405,0.63,1.0,0.42520217942567334,0.1805907751353574,0.12902645466383386,0.09220581180179563,0.20675630525666508
EOS-3-28448,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)s5)n34)cn2)n1,QTAYLYFVCFXMHM-UHFFFAOYSA-N,3,1,0.289,76,272,439.464,3.73,6,0.404,0.63,1.0,0.18721300801864163,0.20738811596189433,0.1040024672743472,0.11113014872181481,0.1524334349941745
EOS-3-28449,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)n1,GGRKEAAILKMVGB-UHFFFAOYSA-N,3,1,0.422,40,59,467.518,3.684,6,0.365,0.75,1.0,0.4180659310533891,0.37712459735453363,0.20916146939894456,0.1580768967171544,0.29060722363100544
EOS-3-28450,Cc1ccc(-c2cc(-c3nnc4cncc(Nc5ccc(F)nc5)n34)nc(CF)n2)cc1F,AJHAXKVRVLHPPV-UHFFFAOYSA-N,3,1,0.359,44,315,448.412,4.443,5,0.397,0.68,0.597,0.03937358645740525,0.1334898224933178,0.6346206565691179,0.6041052703721472,0.35289733397299705
EOS-3-28451,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2)nc1,SCZCOWDNCZDMQG-UHFFFAOYSA-N,3,1,0.386,51,924,436.798,2.2,5,0.404,0.54,0.954,0.580332054005894,0.6024261531080803,0.10401103419916387,0.16309711465972174,0.362466588993215
EOS-3-28452,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncn(C)n5)c4)n23)nc1,KWLJTMFHVJETLS-UHFFFAOYSA-N,3,1,0.388,33,760,443.431,0.71,5,0.397,0.58,0.241,0.32152525529435955,0.09444177917894593,0.025203892810636695,0.00762456308683435,0.11219887259269412
EOS-3-28453,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cn3)n12,UKIKZFJTQINNMK-UHFFFAOYSA-N,3,1,0.303,8,754,467.884,3.154,6,0.359,0.68,0.998,0.13744774175861832,0.17642724967445686,0.05886334041532452,0.12275546569803303,0.12387344938660819
EOS-3-28455,Cn1nnnc1-c1ccc(-c2ncccc2-c2cncc3nnc(-c4ccccc4Cl)n23)cc1,RFSYXOXZWSMOJO-UHFFFAOYSA-N,3,1,0.397,25,791,465.908,4.364,6,0.381,0.73,1.0,0.1322390514700843,0.3286443698170105,0.4066719210472209,0.5542029333150572,0.3554395689123432
EOS-3-28456,Clc1cccc(CCOc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)c1Cl,CXEPTDKQSRSGLV-UHFFFAOYSA-N,3,1,0.544,84,73,464.316,4.572,5,0.364,0.76,1.0,0.740250839558632,0.7675193612500857,0.6583339044616544,0.7535467068741005,0.7299127030361182
EOS-3-28457,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)ncn2)n1,SKEAXWWHHOBWRT-UHFFFAOYSA-N,3,1,0.468,27,51,465.399,3.34,5,0.385,0.64,1.0,0.7344167637584813,0.7459050099376328,0.7947793160167227,0.6597303132067713,0.733707850729902
EOS-3-28458,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)s1,RSIDIKMCDYRUPE-UHFFFAOYSA-N,3,1,0.286,98,882,426.469,3.1,6,0.46,0.6,1.0,0.05986567061887465,0.1134003837982318,0.1092454252621479,0.12051949832088274,0.10075774450003427
EOS-3-28459,Cc1cc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)cc(-c2cc(F)cc(F)c2)n1,KAFDYPZNYILCOO-UHFFFAOYSA-N,3,1,0.57,37,684,447.449,3.795,5,0.394,0.66,1.0,0.46197998766362824,0.4901566033856487,0.6689654581591392,0.6278699198135838,0.5622429922554999
EOS-3-28460,Cn1nccc1-c1ccnc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)n1,BVRXLKGMFDDXSR-UHFFFAOYSA-N,3,1,0.394,31,779,451.853,2.791,5,0.387,0.59,0.969,0.47440202864779657,0.38174216983071757,0.2056147625248441,0.2574617915153177,0.32980518812966897
EOS-3-28461,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)nc4)n23)cc1,XZZPPBBGPOSFQZ-UHFFFAOYSA-N,3,1,0.309,69,57,431.459,4.879,6,0.393,0.77,1.0,0.1902285655541087,0.11340895072304845,0.5955126447810294,0.5445480090466726,0.36092454252621475
EOS-3-28462,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cc(F)ccc5OC(F)F)n34)cn2)cn1,HDRWIASEWKDEDQ-UHFFFAOYSA-N,3,1,0.392,96,155,449.396,4.359,5,0.394,0.67,0.998,0.5636693852374751,0.7844219039133713,0.884672058118018,0.8496247686930299,0.7705970289904737
EOS-3-28463,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccn6)n5)n34)nc2)o1,YCHHWDRMWVIHCR-UHFFFAOYSA-N,3,1,0.294,70,952,422.412,2.792,6,0.421,0.66,0.581,0.006964909875950929,0.019446919333835928,0.05887190734014118,0.07209067233225962,0.03934360222054691
EOS-3-28464,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(C)n5)n34)ncn2)nn1,YONKRTHNBVFRFM-UHFFFAOYSA-N,3,1,0.396,31,851,426.444,2.067,5,0.398,0.63,0.985,0.4769035706942636,0.18059934206017408,0.03855116167500514,0.02311356315536975,0.17979190939620313
EOS-3-28466,OCc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)n1,JLOYYOFWUANFSI-UHFFFAOYSA-N,3,1,0.478,59,910,464.407,3.737,5,0.382,0.74,1.0,0.8372112946336783,0.784430470838188,0.9140823110136386,0.8768761565348503,0.8531500582550887
EOS-3-28468,Fc1ncccc1-c1cc(-c2nnc3cncc(OCCc4ccccn4)n23)cc(Cl)n1,SLIUOAPROQVCCC-UHFFFAOYSA-N,3,1,0.598,11,278,447.861,4.057,5,0.362,0.71,0.997,0.8117332602289082,0.8888869851278185,0.5988451785347132,0.62502570077445,0.7311227811664724
EOS-3-28469,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,PRJANNPJESLYMN-UHFFFAOYSA-N,3,1,0.511,11,325,447.861,4.057,5,0.362,0.71,1.0,0.9359022685216914,0.940656911794942,0.5988537454595299,0.6338667671852511,0.7773199232403536
EOS-3-28470,Fc1ncccc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,SXFKIPKGPNLXKM-UHFFFAOYSA-N,3,1,0.527,87,307,447.861,4.057,5,0.362,0.71,1.0,0.8487338085120965,0.8642913439791653,0.7015026386128436,0.7272376807621136,0.7854413679665547
EOS-3-28471,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ccn4)n23)cn1,ZCPDAGOYMWSFBI-UHFFFAOYSA-N,3,1,0.472,18,160,424.399,3.233,5,0.395,0.65,1.0,0.6768727297649236,0.597945651428963,0.740122335686382,0.6833578918511412,0.6745746521828524
EOS-3-28472,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cn2)n1,NMAOCYZVXSANHI-UHFFFAOYSA-N,3,1,0.309,86,812,424.384,2.657,6,0.411,0.63,1.0,0.2554828318826674,0.14460112398053596,0.06681344664519225,0.06329244054554177,0.13254746076348434
EOS-3-28473,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(C)o5)n4)n23)c(Cl)c1,NDTUZHLBAMALAS-UHFFFAOYSA-N,3,1,0.489,4,92,432.871,4.691,5,0.397,0.76,1.0,0.6259766294291002,0.7366184634363648,0.5568244123089576,0.5145295044890686,0.6084872524158728
EOS-3-28474,c1ccc(-c2ncncc2-c2nnc3cncc(Oc4nnc(-c5cccnn5)nn4)n23)cc1,UXPWLYLEFYTPLY-UHFFFAOYSA-N,3,1,0.33,71,342,448.41,2.078,6,0.379,0.63,1.0,0.352717428551847,0.1522513878418203,0.030669590843670755,0.04376841888835584,0.14485170653142346
EOS-3-28475,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)cn5)n34)nn2)n1C,UNLOIBCREKLPHS-UHFFFAOYSA-N,3,1,0.238,99,14,450.47,2.148,6,0.396,0.56,0.969,0.12644781029401686,0.03760879994517168,0.03452470701117127,0.027508395586320334,0.05652242820917004
EOS-3-28476,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cc(F)c(Cl)c(F)c5)n34)nc2)nc1,QXEYHJULXVJFFR-UHFFFAOYSA-N,3,1,0.347,45,575,439.788,4.381,5,0.388,0.68,1.0,0.44117092728394214,0.6941350832705092,0.9151960112398053,0.9359451031457748,0.7466117812350079
EOS-3-28477,COCc1ncc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)nc4)n23)cn1,RONFBZTWPIVSMW-UHFFFAOYSA-N,3,1,0.398,51,48,428.416,1.554,5,0.373,0.62,1.0,0.43400897813720785,0.2278030978000137,0.04770063737920636,0.030309780001370707,0.18495562332944968
EOS-3-28478,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c(Cl)c1,VIXHXBKGIQBWTK-UHFFFAOYSA-N,3,1,0.303,42,106,465.908,4.364,6,0.381,0.75,1.0,0.18438592282914126,0.232463504900281,0.4640960180933452,0.5008481255568501,0.34544839284490436
EOS-3-28479,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cnnn5C)nc4)n23)cc1,XVBIRZBXZLTFGL-UHFFFAOYSA-N,3,1,0.453,6,870,450.466,3.175,6,0.393,0.62,1.0,0.2663285587005688,0.21226269618257831,0.21960455075046262,0.17951134260845727,0.21942678706051674
EOS-3-28480,Cn1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(C(O)CC#N)nc5)n34)c2)n1,OZSMWATVVZFNHZ-UHFFFAOYSA-N,3,1,0.327,82,974,424.428,1.991,5,0.448,0.61,0.357,0.17568192721540676,0.15984168322938797,0.3774158727983003,0.2868891782605716,0.24995716537591667
EOS-3-28481,COc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ncnc(-c4ccc(F)c(C)c4)n3)n12,FUMIZGJIZVXBQF-UHFFFAOYSA-N,3,1,0.333,29,704,463.423,4.704,5,0.373,0.77,0.998,0.5067678706051676,0.659995887876088,0.8835155232677678,0.8165992735247756,0.7167196388184498
EOS-3-28482,COc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2)nc1,YMUHKAGZLXUZCV-UHFFFAOYSA-N,3,1,0.524,27,430,461.432,4.169,5,0.356,0.74,1.0,0.9115807689671716,0.7629274895483518,0.7947878829415393,0.6278784867384004,0.7742936570488659
EOS-3-28483,Cc1ncc(F)c(-c2cnc(COc3cncc4nnc(-c5cnc(C)c(Cl)c5)n34)nc2)n1,NZERGJMESUGFCW-UHFFFAOYSA-N,3,1,0.424,51,48,463.864,3.422,5,0.386,0.67,1.0,0.7315982454937976,0.7675279281749023,0.2919436639024056,0.28689774518538824,0.5194918956891235
EOS-3-28484,CCOc1ccc(Cl)cc1-c1nnc2cncc(-c3ccc(-c4nccs4)nn3)n12,GWWMGOXOACNQKS-UHFFFAOYSA-N,3,1,0.41,22,140,435.9,4.424,5,0.403,0.7,1.0,0.26633712562538553,0.41951374134740593,0.3284558974710438,0.3755911178123501,0.34747447056404634
EOS-3-28485,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)nn5)ncc4F)n23)cn1,JNHPKNOLOMYRCH-UHFFFAOYSA-N,3,1,0.467,55,85,429.419,2.768,5,0.416,0.61,1.0,0.7316068124186142,0.6941436501953259,0.24104756356658213,0.19856418340072648,0.4663405523953122
EOS-3-28486,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3)n12,UQUGNDPFJQKDEA-UHFFFAOYSA-N,3,1,0.5,87,24,454.878,3.514,5,0.384,0.69,1.0,0.5477948735521897,0.6698135837159893,0.36569631964909877,0.45147693783839354,0.5086954286889178
EOS-3-28487,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)c(F)c1,KEPGTUQUPKOXNL-UHFFFAOYSA-N,3,1,0.314,3,581,467.443,3.989,6,0.387,0.68,1.0,0.20390137756151053,0.2837194160784045,0.5829192653005277,0.6627801384415051,0.43333004934548697
EOS-3-28488,Cc1cc(Oc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4C#N)n23)ncn1,UKTKNZYLYIHQER-UHFFFAOYSA-N,3,1,0.34,7,775,426.375,2.545,5,0.421,0.66,1.0,0.7495373860599,0.669822150640806,0.23732095127133165,0.19857275032554314,0.4638133095743952
EOS-3-28490,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)cc1,JFVKXVFMWJKSQK-UHFFFAOYSA-N,3,1,0.534,15,320,432.875,3.257,5,0.38,0.64,1.0,0.8396014666575287,0.7459135768624494,0.3657048865739154,0.3464464395860462,0.5744165924199849
EOS-3-28491,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c1F,SQCDCVMIHZPYSJ-UHFFFAOYSA-N,3,1,0.548,37,325,421.367,3.136,5,0.412,0.69,1.0,0.8575577410732643,0.6745425262147899,0.5468525118223563,0.5346703447330546,0.6534057809608663
EOS-3-28492,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)s4)n23)ccc1Cl,NSSLMFGMHRVLIQ-UHFFFAOYSA-N,3,1,0.506,4,534,435.9,4.246,5,0.407,0.72,1.0,0.5093465149749846,0.7366270303611816,0.38839010348845177,0.445094578849976,0.5198645569186485
EOS-3-28493,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nnc(Cl)o6)nn5)n34)cn2)cn1,NKNLOXOOJIOKMJ-UHFFFAOYSA-N,3,1,0.321,99,719,473.819,2.943,6,0.348,0.72,0.996,0.3038259886231238,0.3910629840312521,0.16559008978137207,0.2453224590500994,0.2764503803714618
EOS-3-28494,COc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(CO)cn5)n34)ccn2)o1,PGMNIDOVPBGPAF-UHFFFAOYSA-N,3,1,0.435,33,760,432.4,1.711,5,0.401,0.64,0.991,0.47691213761908025,0.20271914193681037,0.12346652045781646,0.0617418271537249,0.216209906791858
EOS-3-28495,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5nc(C(F)(F)F)n[nH]5)no4)n23)cc1,AJLFLBUIQKPDCT-UHFFFAOYSA-N,3,1,0.37,50,542,442.321,1.744,5,0.421,0.62,0.927,0.29610718936330616,0.22260297443629634,0.23399698444246453,0.13803029264615174,0.2226843602220547
EOS-3-28496,CCc1cc(COc2cncc3nnc(-c4cccc(-c5cncn5CC)c4)n23)ccn1,SKHGFNLGTNBRAE-UHFFFAOYSA-N,3,1,0.457,26,448,425.496,4.211,5,0.388,0.75,1.0,0.34358508669727916,0.18060790898499074,0.40668048797203754,0.27833938729353713,0.30230321773696117
EOS-3-28497,Cc1ncc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)F)nn5)n34)cc2F)o1,BTYXEFIGFIVVFC-UHFFFAOYSA-N,3,1,0.347,14,476,437.385,4.212,5,0.406,0.64,1.0,0.3983020355013364,0.55000514015489,0.782288739634021,0.7141045850181619,0.6111751250771024
EOS-3-28498,Cn1nncc1-c1cc(-c2nnc3cncc(Oc4cncc(Cl)c4)n23)ccc1F,ZGZWRXOOBRQNOY-UHFFFAOYSA-N,3,1,0.466,13,79,422.811,3.567,5,0.437,0.65,1.0,0.5607737646494414,0.6745510931396066,0.6612723596737715,0.7114574052498115,0.6520136556781577
EOS-3-28499,Cc1nc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1-c1ncc(F)cn1,FOYDXHQHEUVZPF-UHFFFAOYSA-N,3,1,0.409,73,775,450.384,3.343,5,0.402,0.61,1.0,0.6917106435473922,0.6648533342471387,0.5022531012267837,0.49443149886916593,0.5883121444726201
EOS-3-28500,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1,MAGIUHYPOIRBMP-UHFFFAOYSA-N,3,1,0.561,97,992,432.846,4.62,5,0.377,0.76,1.0,0.8512010828592969,0.8582687958330477,0.8318741004728942,0.859836543074498,0.8502951305599342
EOS-3-28501,Cn1nc(-c2ccccn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,BXIRLZRIWWIFRN-UHFFFAOYSA-N,3,1,0.548,4,32,417.86,3.819,5,0.432,0.74,1.0,0.6431447467617024,0.8246007813035433,0.44301281611952575,0.4944400657939826,0.6012996024946885
EOS-3-28502,COc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ncccc1F,QCMLGQKRDZKKSJ-UHFFFAOYSA-N,3,1,0.421,49,116,444.43,2.808,5,0.374,0.63,0.969,0.6403519292714687,0.49505688438078266,0.19512884654924267,0.1552069769035707,0.37143615927626616
EOS-3-28503,Cc1nccc(-c2c(F)ccnc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,RWGQNTJFJFPJRF-UHFFFAOYSA-N,3,1,0.405,45,140,417.835,4.411,5,0.432,0.75,1.0,0.38964944143650193,0.6452779110410527,0.6637225001713385,0.7535552737989172,0.6130512816119525
EOS-3-28504,Cc1cnsc1COc1cncc2nnc(-c3ccc(-c4cnn(C5CC5)c4)nc3)n12,KAQOQYLMSDRZPQ-UHFFFAOYSA-N,3,1,0.438,92,468,430.497,3.729,6,0.405,0.71,1.0,0.19548009046672607,0.20739668288671098,0.03318826673977109,0.06033685148379138,0.12410047289424989
EOS-3-28505,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1ncccn1,DKBANXIDSJTLSQ-UHFFFAOYSA-N,3,1,0.46,73,379,452.812,3.549,5,0.373,0.68,1.0,0.942850044548009,0.9120605167569049,0.595521211705846,0.6369765608937016,0.7718520834761153
EOS-3-28506,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cnc(C)cn1,FMYQICMAVHCXBI-UHFFFAOYSA-N,3,1,0.464,4,224,460.885,3.588,5,0.375,0.66,1.0,0.5978257144815297,0.5785329997943938,0.3957919265300528,0.302275375231307,0.46860650400932075
EOS-3-28507,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)cc2F)cn1,PXGNIFHJWPWOAL-UHFFFAOYSA-N,3,1,0.483,13,145,432.846,5.142,5,0.391,0.8,1.0,0.7756408059762867,0.8613785895414982,0.8589455828935645,0.8696285381399493,0.8413983791378246
EOS-3-28508,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nc2)n1,PDGRHCFUIMOMKT-UHFFFAOYSA-N,3,1,0.4,46,564,449.837,3.113,5,0.398,0.6,0.998,0.7160578438763622,0.6698307175656226,0.4132513193064218,0.43850661366595844,0.5594116236035913
EOS-3-28509,Cc1cnc(-c2cccnc2F)c(COc2cncc3nnc(-c4ccc(F)cc4)n23)n1,DTIXZBJKGZPJPA-UHFFFAOYSA-N,3,1,0.536,4,32,431.406,3.809,5,0.391,0.68,1.0,0.8273935987937769,0.8317884312247276,0.5468610787471729,0.5639349599067919,0.6924945171681174
EOS-3-28510,Cc1nc(F)ccc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cnn1,KOTYNLMQCFQJNO-UHFFFAOYSA-N,3,1,0.529,43,909,431.406,3.809,5,0.391,0.68,1.0,0.7402594064834487,0.7134706325817285,0.735196353916798,0.719416078404496,0.7270856178466178
EOS-3-28511,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(CO)nc4-c4ccccc4OC)n23)cn1,LIJPVGCSBIETQT-UHFFFAOYSA-N,3,1,0.337,82,204,468.477,2.171,5,0.383,0.71,0.994,0.2961157562881228,0.16384243711877183,0.11787231855253238,0.06034541840860805,0.15954398259200878
EOS-3-28512,COc1ccnc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccn2)n1,QPGCFYVNRXCMPN-UHFFFAOYSA-N,3,1,0.494,75,420,432.469,2.996,5,0.399,0.7,1.0,0.3435936536220958,0.24803817421698307,0.06290692892879172,0.027516962511137003,0.17051392981975189
EOS-3-28513,c1ccc(-c2cncnc2-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)cc1,HIFKOAMYOQHNKC-UHFFFAOYSA-N,3,1,0.271,94,618,419.412,2.286,6,0.423,0.65,1.0,0.005525666506750737,0.006716469056267562,0.05888047426495785,0.10024158727983003,0.042841049276951544
EOS-3-28514,c1ccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5cncnc5)n34)nn2)cc1,CNVDYHGKGBQDIY-UHFFFAOYSA-N,3,1,0.295,94,342,419.412,2.286,6,0.423,0.65,0.914,0.003863683092317182,0.00672503598108423,0.13180213830443424,0.17656432047152354,0.07973879446233981
EOS-3-28515,COc1cc(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)ccn1,BCZHSTZLTCFKRR-UHFFFAOYSA-N,3,1,0.568,11,201,430.493,3.94,5,0.386,0.7,1.0,0.5833390446165444,0.4054811184977041,0.3657134534987321,0.24533102597491604,0.39996616064697416
EOS-3-28516,c1csc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)n1,VGJIONSGDMYWBD-UHFFFAOYSA-N,3,1,0.495,40,425,459.52,3.735,6,0.4,0.71,1.0,0.44588273593310945,0.4503461037625934,0.08951579740936194,0.0864916729490782,0.2680590775135357
EOS-3-28517,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ncn2)cn1,RVTWLFOSMGZVBI-UHFFFAOYSA-N,3,1,0.451,7,296,431.847,2.974,5,0.413,0.58,0.966,0.40905352614625456,0.45035467068741003,0.2518847234596669,0.2665598656706189,0.3444631964909876
EOS-3-28518,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)cc1,ALLQALWDNSROQE-UHFFFAOYSA-N,3,1,0.658,91,876,448.889,4.606,5,0.379,0.71,1.0,0.9303594681653073,0.9079740936193544,0.822724624768693,0.8184754300596258,0.869883404153245
EOS-3-28519,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ncc(F)c(C)n5)c(=O)n(C)c4)n23)cn1,BBSRVKDRNVZIKB-UHFFFAOYSA-N,3,1,0.421,7,535,459.445,2.072,5,0.388,0.64,1.0,0.40691179494208757,0.18466863134809128,0.10401960112398054,0.07209923925707629,0.19192481666780892
EOS-3-28520,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nccnc4Oc4cccc(F)c4)n23)cc1,ZEYHVDPQJAVCHE-UHFFFAOYSA-N,3,1,0.439,62,582,467.464,4.072,6,0.401,0.71,1.0,0.4692875745322459,0.4329124117606744,0.29195223082722227,0.3594338976081146,0.3883965286820643
EOS-3-28521,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnn5)c4)n23)nc1,VFJCZGFOUHVSHW-UHFFFAOYSA-N,3,1,0.406,33,344,483.467,2.649,6,0.371,0.8,1.0,0.4388064560345418,0.17191248029607292,0.21961311767527927,0.25747035844013433,0.2719506031115071
EOS-3-28523,Cn1c(C#N)cnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)nc1,AMZPPXNJIZFJCI-UHFFFAOYSA-N,3,1,0.435,46,62,427.403,2.572,5,0.393,0.68,0.999,0.6491330272085533,0.5500137070797066,0.45013193064217666,0.39462682475498595,0.5109763724213556
EOS-3-28524,COc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncn4)n23)ccc1Cl,ZUGYWQJHYLTJLF-UHFFFAOYSA-N,3,1,0.478,4,354,446.858,3.279,5,0.387,0.64,1.0,0.7464875608251662,0.8490679185799466,0.5633352751696251,0.4791309711465972,0.6595054314303337
EOS-3-28525,Cc1cnc(COc2cncc3nnc(-c4cncc(-c5cc(F)ncc5C)c4)n23)cn1,MMAAFFUGIIIHQC-UHFFFAOYSA-N,3,1,0.419,2,535,428.431,3.373,5,0.393,0.69,1.0,0.527414159413337,0.49506545130559937,0.48162394626824756,0.37559968473716676,0.4699258104310877
EOS-3-28526,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nccc(-n5ccnc5)n4)n23)cc1,ZFFZYLVNKHKUTD-UHFFFAOYSA-N,3,1,0.304,98,42,420.44,2.834,6,0.432,0.64,1.0,0.021143170447536153,0.008781097937084504,0.2340055513672812,0.21059214584332808,0.11863049139880749
EOS-3-28527,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-n5ccnc5)n4)n23)nc1,NFUGMKRUQRZTOW-UHFFFAOYSA-N,3,1,0.262,70,813,420.44,2.834,6,0.432,0.64,1.0,0.0028527859639503805,0.00946645192241793,0.2303560413953807,0.2047580700431773,0.11185833733123159
EOS-3-28528,Fc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)c1,PHRRJYQOIHRSOC-UHFFFAOYSA-N,3,1,0.679,84,884,446.873,4.662,5,0.377,0.75,1.0,0.8665958467548489,0.8834298540196012,0.8634689191967652,0.8906175039407854,0.8760280309780001
EOS-3-28529,Fc1cccc(Cl)c1-c1nnc2cncc(-c3cn(-c4ccc(Cl)nc4)nn3)n12,HGFJGGAYIGOZEX-UHFFFAOYSA-N,3,1,0.333,22,844,427.23,3.88,5,0.406,0.66,1.0,0.016277157151668838,0.26321876499211844,0.7273918854088136,0.8662446028373655,0.4682831025974916
EOS-3-28530,Cc1ccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5cccc(F)c5)n34)cn2)nc1,KLRWKWFHPKCHND-UHFFFAOYSA-N,3,1,0.326,3,317,448.465,4.549,6,0.393,0.7,1.0,0.003495305325200466,0.18061647590980742,0.5829278322253444,0.6104105270372148,0.34436253512439174
EOS-3-28531,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)on1,RQQGGQQNHYHTIF-UHFFFAOYSA-N,3,1,0.645,2,884,420.379,4.007,5,0.424,0.76,1.0,0.7464961277499829,0.6452864779658694,0.8448615584949627,0.7969210472208896,0.7583913028579261
EOS-3-28532,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cn1,QCAVVHVFBZRQJJ-UHFFFAOYSA-N,3,1,0.325,3,150,458.844,4.487,6,0.383,0.72,1.0,0.08805085326571174,0.32428380508532656,0.7638013158796518,0.809805702145158,0.49648541909396204
EOS-3-28533,Cn1nc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1-c1ncc(F)nn1,DLWYAGKTIHIBOC-UHFFFAOYSA-N,3,1,0.549,36,404,421.371,2.234,5,0.425,0.64,1.0,0.5922486464258789,0.6171098622438489,0.22297991912822973,0.2783479542183538,0.42767159550407785
EOS-3-28535,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)c1,SMSDGCSEKBDLPP-UHFFFAOYSA-N,3,1,0.542,1,138,450.424,4.79,5,0.385,0.76,1.0,0.7006716469056268,0.612260982797615,0.9848965115482147,0.9560088410664108,0.8134594955794668
EOS-3-28536,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nncc(C)n5)cn4)n23)c1,WIOBEZJWVXQXGD-UHFFFAOYSA-N,3,1,0.243,64,972,458.489,3.779,6,0.388,0.62,0.958,0.12368926050304982,0.04846309368788979,0.14395003769446918,0.16082687958330477,0.11923231786717839
EOS-3-28537,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1,PMHRWKFTGOUNMS-UHFFFAOYSA-N,3,1,0.662,43,96,418.407,4.049,5,0.431,0.73,1.0,0.8533856486875471,0.7501627715715167,0.9010177506682201,0.8711534507573162,0.84392990542115
EOS-3-28538,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)cn1,IBDUVFXWTHOMSK-UHFFFAOYSA-N,3,1,0.474,65,510,451.853,2.791,5,0.362,0.64,1.0,0.734425330683298,0.7134791995065451,0.18515694606264135,0.20750805290932767,0.460142382290453
EOS-3-28539,COCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)nn2C)cn1,ZJKZVCNLZXTGIU-UHFFFAOYSA-N,3,1,0.489,95,956,454.853,3.577,5,0.387,0.68,1.0,0.3689603180042492,0.3863768761565349,0.5299756699335206,0.5376087999451716,0.4557304160098691
EOS-3-28540,Fc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)n1,PGQLCVORGGIZOV-UHFFFAOYSA-N,3,1,0.387,50,243,420.358,3.782,5,0.408,0.69,0.839,0.30383455554794053,0.5130988280446851,0.8173188952093756,0.7561167843191008,0.5975922657802755
EOS-3-28541,Cn1cc(F)c(COc2cncc3nnc(-c4cc(Cl)nc(-c5ncccn5)c4)n23)n1,YZGNCHFTLUWZIX-UHFFFAOYSA-N,3,1,0.472,7,242,437.826,2.748,5,0.386,0.63,1.0,0.3736378589541498,0.4373672126653417,0.2373295181961483,0.2752124597354534,0.33088676238777326
EOS-3-28542,Fc1cccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)nc5)n34)n2)c1,ZAAKBVDLPPBUQH-UHFFFAOYSA-N,3,1,0.349,30,298,464.439,4.651,6,0.375,0.73,0.993,0.23702110890274827,0.4723716674662463,0.7168288671098623,0.8098142690699747,0.5590089781372078
EOS-3-28543,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cccnc5)cn4)n23)cc1,DRUWERKMNGYTSE-UHFFFAOYSA-N,3,1,0.354,82,453,408.425,2.67,5,0.487,0.86,1.0,0.16499040504420534,0.04847166061270646,0.26957542320608596,0.19858131725035982,0.17040470152833942
EOS-3-28544,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cn4)n23)cc1,WSXVFBUYFRYTJF-UHFFFAOYSA-N,3,1,0.29,38,725,420.44,3.039,6,0.466,0.6,1.0,0.08805942019052841,0.06377218833527518,0.39202247961071895,0.3660989651154821,0.22748826331300118
EOS-3-28545,c1cncc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ccncn5)c4)n23)c1,GWQUZYNSSWHDGC-UHFFFAOYSA-N,3,1,0.28,94,165,419.412,2.286,6,0.423,0.66,0.851,0.0023302035501336442,0.008789664861901173,0.1722123226646563,0.19045130559934206,0.09344587416900829
EOS-3-28546,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ccc2Cl)nn1,GDXZVDVFFZSHGQ-UHFFFAOYSA-N,3,1,0.53,16,256,436.888,3.641,5,0.411,0.63,1.0,0.652182852443287,0.805290932766774,0.24447433349324926,0.29311733260228906,0.49876636282639986
EOS-3-28547,Clc1ccc(COc2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2)cc1,GFZRDNPJXJSNCQ-UHFFFAOYSA-N,3,1,0.727,1,397,443.894,4.998,5,0.352,0.82,1.0,0.7925433486395723,0.864299910903982,0.857514906449181,0.8344013432938112,0.8371898773216366
EOS-3-28548,FC1(Cn2cc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)CCOCC1,YGRPMTWEMLFLCI-UHFFFAOYSA-N,3,1,0.362,78,792,447.301,4.48,5,0.462,0.7,1.0,0.22300561990267972,0.3242923720101432,0.36213247892536493,0.7561253512439174,0.41638895552052635
EOS-3-28549,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)ccc1F,CNAFRKZJPOEOIZ-UHFFFAOYSA-N,3,1,0.495,26,55,433.422,3.927,5,0.378,0.69,1.0,0.755285792611884,0.602434720032897,0.7845589747104379,0.721917620450963,0.7160492769515454
EOS-3-28550,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cn4)n23)nn1,VEWUHZPDDLZBGS-UHFFFAOYSA-N,3,1,0.278,70,813,438.48,3.167,6,0.412,0.58,0.879,0.03938215338222192,0.05207833596052361,0.09884517853471318,0.10878281132204784,0.07477211979987664
EOS-3-28551,Clc1nccc(CCOc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)n1,GCQQIQDMGTUYCP-UHFFFAOYSA-N,3,1,0.417,18,194,431.847,2.708,5,0.374,0.66,1.0,0.5299157014598039,0.49016517031046536,0.1985556164759098,0.22208039202247962,0.3601792200671647
EOS-3-28552,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)cn1,VTHWGVCCQGMLHA-UHFFFAOYSA-N,3,1,0.315,76,368,436.504,4.377,6,0.408,0.73,1.0,0.09526420396134604,0.07806181892947707,0.2481923788636831,0.2636042766088685,0.17128066959084365
EOS-3-28553,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)c1,YOSUDVHALSJZBJ-UHFFFAOYSA-N,3,1,0.622,11,393,412.428,4.009,5,0.419,0.87,1.0,0.8463522034130628,0.9140052086902886,0.722174628195463,0.7194246453293126,0.8004891714070318
EOS-3-28554,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)c1,RKHUYRVDSRLDSX-UHFFFAOYSA-N,3,1,0.62,75,752,447.861,4.057,5,0.387,0.63,1.0,0.7954304023027894,0.8456582825029128,0.7325920087725311,0.7535638407237338,0.7818111335754918
EOS-3-28555,CCn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(C)c5)n34)c2)c1,NPGCZZNCUONGKB-UHFFFAOYSA-N,3,1,0.529,15,438,425.496,4.0,5,0.392,0.75,1.0,0.4668460009594956,0.25288705366321707,0.3994757042012199,0.27522102666027004,0.3486074463710507
EOS-3-28556,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)ccn1,QPDIOZOPWKPDIS-UHFFFAOYSA-N,3,1,0.316,9,7,417.436,3.7,6,0.466,0.68,1.0,0.10004454800904668,0.11044479473648139,0.49513398670413267,0.4822493317798643,0.29696816530738124
EOS-3-28558,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6nncn6C)c5)n34)cn2)cnn1,VVLNNFOOYRVVPR-UHFFFAOYSA-N,3,1,0.284,99,899,447.466,2.809,6,0.401,0.6,0.997,0.06161332328147488,0.03761736686998835,0.1817644438352409,0.1712785278596395,0.11306841546158591
EOS-3-28559,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,RVPLWIYMSRLWJF-UHFFFAOYSA-N,3,1,0.595,4,32,417.86,3.819,5,0.432,0.72,1.0,0.7785364265643204,0.8422914810499623,0.5468696456719896,0.560628126927558,0.6820814200534576
EOS-3-28560,Cc1nc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)c2)no1,VXIXHTGXROQQMV-UHFFFAOYSA-N,3,1,0.517,4,677,449.858,3.269,5,0.415,0.65,1.0,0.577624905763827,0.6357771914193681,0.4641045850181619,0.4357394969501748,0.5283115447878829
EOS-3-28561,Cn1ccnc1-c1cc(Cl)cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,XRDYHTVHFIXAAJ-UHFFFAOYSA-N,3,1,0.56,35,619,449.877,4.001,5,0.389,0.65,1.0,0.7006802138304434,0.6843259543554245,0.6718268110479062,0.6861678431910082,0.6857502056061956
EOS-3-28562,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cccs1,DXUYPEDTPSMWFN-UHFFFAOYSA-N,3,1,0.43,95,569,437.916,3.923,5,0.4,0.72,1.0,0.37828113220478377,0.29436810362552257,0.26590021245973544,0.33700568843807827,0.31888878418203004
EOS-3-28563,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)c1,JAIZPQYTQPIIPR-UHFFFAOYSA-N,3,1,0.444,2,564,421.371,2.234,5,0.425,0.63,1.0,0.46929614145706255,0.38638544308135153,0.5468782125968062,0.5109485299157015,0.4783770817627304
EOS-3-28564,Fc1ccc(-c2n[nH]cc2-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)n4)n23)cc1,OLFCYFBLJJZZFN-UHFFFAOYSA-N,3,1,0.314,3,783,457.86,4.222,6,0.425,0.65,0.81,0.027696867932287025,0.237620793639915,0.579715235419094,0.7354704955109314,0.39512584812555684
EOS-3-28565,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccs4)n23)cc1F,MDYOUYXGPVZMBY-UHFFFAOYSA-N,3,1,0.634,37,353,420.473,4.014,5,0.415,0.72,1.0,0.9130885477349051,0.8755482831882667,0.485144952367898,0.46078918511411143,0.6836427421012953
EOS-3-28566,c1cc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccncn5)n34)nn2)ccn1,TVQKRZJDRJOAFS-UHFFFAOYSA-N,3,1,0.212,86,953,420.4,1.681,6,0.414,0.64,0.999,0.0020389281063669384,0.002210266602700295,0.04953395928997327,0.06656500582550888,0.030087039956137346
EOS-3-28567,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,UDRSLQCNSKCVEU-UHFFFAOYSA-N,3,1,0.5,97,91,432.846,4.62,5,0.377,0.78,1.0,0.9144335549311219,0.9215955040778562,0.8953036118155027,0.9036477965869372,0.9087451168528544
EOS-3-28568,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)c(F)c1,UHYMEIPHSIOMAD-UHFFFAOYSA-N,3,1,0.471,16,772,436.838,3.353,5,0.39,0.64,1.0,0.7981461174696731,0.7088530601055445,0.6583424713864711,0.6250342676992666,0.6975939791652388
EOS-3-28569,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)c1,MRIXBFCTOMPFSX-UHFFFAOYSA-N,3,1,0.436,95,493,446.902,3.565,5,0.368,0.71,1.0,0.3782896991296004,0.3195719964361593,0.3583715989308478,0.35604139538071417,0.35306867246933044
EOS-3-28570,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cc2)n1,BUSCBJJWANOJLW-UHFFFAOYSA-N,3,1,0.526,67,722,463.505,4.088,6,0.38,0.72,1.0,0.36669008292783223,0.22261154136111302,0.2955674730998561,0.23095572613254747,0.2789562058803372
EOS-3-28571,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c(Cl)c2)n1,YRUKCJZDQYTFKH-UHFFFAOYSA-N,3,1,0.571,37,619,450.865,3.396,5,0.391,0.61,1.0,0.6948033034062093,0.767536495099719,0.5332139675142211,0.5606366938523748,0.639047614968131
EOS-3-28572,COc1ncc(-c2nc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccc2F)cn1,OIATYVJDFZIQHD-UHFFFAOYSA-N,3,1,0.516,89,731,472.44,2.469,5,0.378,0.7,1.0,0.6090226852169145,0.2943766705503392,0.310011308340758,0.16587279830032212,0.34482086560208347
EOS-3-28573,Cc1nc(-c2ccc(Cl)c(-c3cncc4nnc(-c5cc(C)c(C)nc5C)n34)c2)n(C)n1,VMLACFLLYGMGFH-UHFFFAOYSA-N,3,1,0.338,50,336,444.93,4.536,5,0.406,0.71,1.0,0.20390994448632718,0.31958056336097596,0.2229884860530464,0.22208895894729627,0.24214198821191146
EOS-3-28574,Cn1cncc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)c1,IBBSCNXPMGEUBI-UHFFFAOYSA-N,3,1,0.451,73,526,453.84,4.097,5,0.398,0.67,1.0,0.6521914193681037,0.7413388390103488,0.8400555136728121,0.8477486121581796,0.770333596052361
EOS-3-28575,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4F)n23)nc1,IRPWJDJHCRHDGQ-UHFFFAOYSA-N,3,1,0.321,98,882,467.472,3.066,6,0.38,0.66,1.0,0.25306695908436705,0.2785792611884038,0.12347508738263313,0.14257932972380236,0.1994251593448016
EOS-3-28576,COc1cc(-c2nnc3cncc(Oc4cncnc4)n23)ccc1-c1ccccc1F,WRFFHVCRSIZJEP-UHFFFAOYSA-N,3,1,0.471,13,209,414.4,4.188,5,0.426,0.81,1.0,0.8711877184565828,0.8168134466451923,0.8189123432252758,0.7485093550818998,0.8138557158522377
EOS-3-28577,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)cnn1,NXISHYVFEMLLMX-UHFFFAOYSA-N,3,1,0.396,33,760,428.416,1.055,5,0.418,0.6,0.334,0.3642656432047152,0.08834212870947844,0.08197690357069426,0.041309711465972176,0.14397359673771504
EOS-3-28578,Cc1cccnc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)s1,LFIIYDSHHOWVEK-UHFFFAOYSA-N,3,1,0.265,94,165,449.503,4.137,6,0.395,0.66,0.947,0.058109451031457746,0.12686758961003358,0.185165512987458,0.19858988417517648,0.14218310945103146
EOS-3-28579,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)nc1,TXXUDZMLZFHESY-UHFFFAOYSA-N,3,1,0.595,35,325,449.396,3.682,5,0.365,0.66,1.0,0.97501028030978,0.962682475498595,0.7926461517373724,0.7760605852923035,0.8765998732095128
EOS-3-28580,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4cncnc4-c4ncc(Cl)cn4)n23)ccn1,CGWHFESEMBVPSW-UHFFFAOYSA-N,3,1,0.263,86,249,469.86,1.944,6,0.372,0.66,1.0,0.12369782742786649,0.1677146871359057,0.02963299294085395,0.06330100747035844,0.09608662874374616
EOS-3-28581,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)c(C)c5)ncn4)n23)cc1,PVZSCGMAWJGSEL-UHFFFAOYSA-N,3,1,0.483,89,675,427.443,3.978,5,0.392,0.71,0.999,0.7552943595367007,0.6894661092454253,0.6377732849016517,0.5242015626070866,0.651683829072716
EOS-3-28582,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5nnc(C6CC6)s5)nc4)n23)c1,GYUDMCLTOVHXNN-UHFFFAOYSA-N,3,1,0.489,4,617,446.471,3.695,6,0.389,0.68,0.994,0.4458913028579261,0.5684411623603591,0.03586114728257145,0.11594476046878213,0.2915345932424097
EOS-3-28583,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ncn2)cn1,WVMNBVGAAPYZMJ-UHFFFAOYSA-N,3,1,0.439,44,194,448.849,3.452,5,0.364,0.63,0.903,0.712990884791995,0.7134877664313618,0.5166712356932356,0.557612569392091,0.6251906140771709
EOS-3-28584,Cn1ncnc1-c1nccnc1COc1cncc2nnc(-c3ccc(F)cc3F)n12,DYFCHGHAUDHCMQ-UHFFFAOYSA-N,3,1,0.506,73,446,421.371,2.234,5,0.425,0.62,1.0,0.5017562195874169,0.5175707627989857,0.18832670824480843,0.26361284353368514,0.367816633541224
EOS-3-28585,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)no4)n23)cc1,RZFFTSCWKIIGCY-UHFFFAOYSA-N,3,1,0.431,38,867,454.881,4.562,6,0.385,0.75,1.0,0.3038431224727572,0.45497224316359397,0.43188438078267427,0.5145380714138853,0.42630945445822765
EOS-3-28586,c1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nn5)n34)cc2)o1,BFFXVKCCQPQVRQ-UHFFFAOYSA-N,3,1,0.274,9,339,424.449,4.027,6,0.417,0.67,0.999,0.13475772736618463,0.11045336166129806,0.29913988074840653,0.34331951202796246,0.22191762045096292
EOS-3-28587,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)cn1,WCDVITLWHOYWAW-UHFFFAOYSA-N,3,1,0.299,42,522,466.896,3.759,6,0.361,0.72,1.0,0.18172160921115757,0.20272770886162703,0.3137122198615585,0.35944246453293127,0.2644010006168186
EOS-3-28588,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)n4)n23)cc1,DKLXEPSUGCJVNQ-UHFFFAOYSA-N,3,1,0.489,56,415,462.477,3.018,6,0.367,0.62,1.0,0.38060276883010075,0.17643581659927352,0.17222088958947296,0.14512370639435268,0.21859579535329998
EOS-3-28589,Fc1cc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)cnn1,CDHKTWHDQFRSNT-UHFFFAOYSA-N,3,1,0.489,16,89,435.369,3.64,5,0.389,0.64,1.0,0.8117418271537249,0.7675450620245357,0.8903776300459187,0.8711620176821329,0.835206634226578
EOS-3-28592,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccoc5)cn4)n23)cc1,PBTITVIFTSQGLX-UHFFFAOYSA-N,3,1,0.506,89,731,413.397,2.519,5,0.449,0.76,1.0,0.4841683229387979,0.17192104722088958,0.29557604002467275,0.18768418888355837,0.28483739976697964
EOS-3-28593,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)nc1,PTZAEVOZOYTFKN-UHFFFAOYSA-N,3,1,0.517,27,930,450.384,3.694,5,0.386,0.64,0.998,0.8733123158111165,0.8521091768898637,0.7427438146802824,0.6484048385991364,0.7791425364950998
EOS-3-28594,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)nc5)n34)cc2)o1,IBHMFDHQHRZXRZ-UHFFFAOYSA-N,3,1,0.289,38,532,433.475,4.822,6,0.396,0.77,1.0,0.06697621821670893,0.05981426906997464,0.5955297786306627,0.5177506682201357,0.31001773353437045
EOS-3-28595,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)cc1,VZVNAXQPKISKFF-UHFFFAOYSA-N,3,1,0.562,1,138,448.408,4.846,5,0.383,0.76,1.0,0.8037917209238572,0.7800699061065041,0.9885631553697485,0.9717034473305463,0.886032057432664
EOS-3-28596,N#Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccsc5)n34)cc(Cl)n2)cn1,ZBAXBOLIZUOXOW-UHFFFAOYSA-N,3,1,0.433,55,85,446.883,3.809,5,0.374,0.69,1.0,0.5530549653896237,0.490173737235282,0.5399904050442054,0.5475892673565896,0.5327020937564252
EOS-3-28597,N#Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nn5)ncc4Cl)n23)cn1,LNCIGJAZYDCVOX-UHFFFAOYSA-N,3,1,0.427,55,617,477.275,3.191,5,0.371,0.74,1.0,0.6551470084298541,0.8129411966280584,0.3323281474881776,0.43851518059077516,0.5597328832842163
EOS-3-28598,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cc(F)cnc5Cl)nn4C)n23)cn1,ZRPMOIAMPAEFEV-UHFFFAOYSA-N,3,1,0.365,85,290,434.866,3.674,5,0.401,0.66,1.0,0.23409978754026456,0.33337331231581113,0.47117229799191285,0.49748132410389967,0.3840316804879721
EOS-3-28599,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cn2)nn1,KOTCFDNFEPWZBV-UHFFFAOYSA-N,3,1,0.301,99,664,455.873,2.883,6,0.372,0.65,0.586,0.011488246179151531,0.12322664656294977,0.20195668562812694,0.2603745459529847,0.14926153108080323
EOS-3-28600,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cc(Cl)n2)o1,LBQKZJXKWHXXDH-UHFFFAOYSA-N,3,1,0.462,20,658,435.835,2.61,5,0.367,0.65,0.722,0.46685456788431223,0.5359639503803715,0.06904084709752588,0.08650023987389487,0.28958990130902607
EOS-3-28601,Cn1cncc1-c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nn1,YCWZWPALOQRFSC-UHFFFAOYSA-N,3,1,0.588,37,563,467.32,3.91,5,0.374,0.69,1.0,0.6581197313412378,0.7844390377630046,0.4572082105407443,0.5671818244123089,0.6167372010143239
EOS-3-28602,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5ncnn5C)n4)n23)cc1Cl,AQYPLTOXCLPJEC-UHFFFAOYSA-N,3,1,0.418,36,788,476.888,1.969,5,0.389,0.69,1.0,0.4275238160509903,0.41006442327462134,0.07334144335549311,0.05874340346789116,0.24241827153724899
EOS-3-28603,O=C(NCc1ccc(F)nc1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)nc1,VVIZTUUZMZGGHL-UHFFFAOYSA-N,3,1,0.353,85,647,476.863,2.08,5,0.365,0.67,1.0,0.30385168939757384,0.2171544102528956,0.1690425604824892,0.16310568158453842,0.2132885854293743
EOS-3-28604,Fc1ncc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4ccon4)cn3)n12,CRSHUMRBHFHAMQ-UHFFFAOYSA-N,3,1,0.451,18,814,438.81,3.045,5,0.394,0.66,0.856,0.620228222877116,0.5543742718113905,0.23401411829209787,0.29608148858885613,0.4261745253923651
EOS-3-28605,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)cn2)cn1,MGPOBHWHZOGQOB-UHFFFAOYSA-N,3,1,0.28,30,945,435.516,4.982,6,0.39,0.79,1.0,0.027705434857103695,0.05982283599479131,0.5056884380782675,0.5210403673497361,0.27856426906997467
EOS-3-28606,Cc1nc(-c2ccc(C)c(F)c2)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)n1,WBIHVRZCSLZSQD-UHFFFAOYSA-N,3,1,0.384,46,500,462.876,4.027,5,0.385,0.68,1.0,0.6259851963539168,0.5933623466520458,0.5094407511479679,0.4974898910287163,0.5565695462956617
EOS-3-28607,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccc(F)n6)nn5)n34)cc2)nc1,BEVHHAPHLUDVOV-UHFFFAOYSA-N,3,1,0.342,38,635,466.415,3.441,6,0.36,0.66,1.0,0.3168220135700089,0.410072990199438,0.3847405935165513,0.4451031457747927,0.3891846857651977
EOS-3-28608,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6cccs6)n5)n34)cc2)nc1,DOKHARGOTYYXMM-UHFFFAOYSA-N,3,1,0.329,38,186,452.478,4.573,6,0.387,0.71,1.0,0.3038602563223905,0.4239856761017065,0.45721677746556094,0.5445565759714893,0.4324048214652868
EOS-3-28609,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4cccc(-c5ccno5)n4)n23)nc1,IRZPXTVHQMECSP-UHFFFAOYSA-N,3,1,0.434,33,53,474.456,2.557,5,0.342,0.72,0.988,0.30116167500514013,0.07473785210060996,0.09885374545952985,0.06175039407854157,0.13412591666095539
EOS-3-28610,Cn1c(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCCc4cncs4)n23)cc1=O,NWDKRYSVUHTUGE-UHFFFAOYSA-N,3,1,0.565,35,619,466.473,3.513,5,0.381,0.68,1.0,0.5554537043382908,0.4997087245562333,0.6110616133232815,0.6338753341100678,0.5750248440819683
EOS-3-28611,FC(F)c1ccc(-c2nnc3cncc(OCc4cn(-c5ncccc5Cl)nn4)n23)cc1,QATMBAYEUANQAO-UHFFFAOYSA-N,3,1,0.579,27,51,454.828,3.937,5,0.383,0.71,1.0,0.3215338222191762,0.5222140360496196,0.6909824549379755,0.735479062435748,0.5675523439106298
EOS-3-28612,CCc1nc(Cc2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)cc(C(F)(F)F)n1,DECQXPFTEBZYHF-UHFFFAOYSA-N,3,1,0.345,85,362,466.431,2.944,5,0.389,0.66,0.969,0.24783256802138304,0.3383335617846618,0.3695171681173326,0.23979679254334865,0.2988700226166815
EOS-3-28613,Fc1c(Cl)ccnc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,PPQZYZQNASWWTF-UHFFFAOYSA-N,3,1,0.441,55,85,423.799,2.738,5,0.458,0.59,1.0,0.6581282982660545,0.6843345212802412,0.41709786854910563,0.4607977520389281,0.5550896100335823
EOS-3-28614,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5ncn(-c6ccccc6)n5)n34)c2)nc1,ZGMXBIPMGRWQSX-UHFFFAOYSA-N,3,1,0.446,77,807,465.452,3.547,6,0.367,0.69,1.0,0.34837399766979643,0.29921698307175654,0.29914844767322324,0.31186176410115823,0.3146502981289836
EOS-3-28615,Cc1nnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)n1C,PDZCHPZJZQZMEF-UHFFFAOYSA-N,3,1,0.368,85,60,448.441,2.803,5,0.39,0.65,0.386,0.23132410389966418,0.28894524021657186,0.08700568843807827,0.09618943184154616,0.17586611609896513
EOS-3-28616,Cn1cncc1-c1nc(Cc2cncc3nnc(-c4ccc(C(C)(O)F)nc4)n23)ccc1F,KSJPIHCWHMFCIT-UHFFFAOYSA-N,3,1,0.356,85,290,448.437,2.846,5,0.441,0.54,0.999,0.35055856349804676,0.4100815571242547,0.7015112055376602,0.5312264409567542,0.49834444177917897
EOS-3-28617,Cc1cc(COc2cncc3nnc(-c4cc(CO)cc(-c5nc(C)n(C)n5)c4)n23)n(C)n1,VIKPTQBLMRZHHT-UHFFFAOYSA-N,3,1,0.451,36,662,445.487,2.008,5,0.421,0.65,1.0,0.27671167157837023,0.13349838941813447,0.06904941402234253,0.028536426564320472,0.12694897539579192
EOS-3-28618,Cc1nc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cncnc5)n34)c2)cs1,KMHGTNXIZWGCBF-UHFFFAOYSA-N,3,1,0.244,64,449,449.503,4.137,6,0.395,0.67,1.0,0.05278939072030704,0.04848022753752313,0.20562332944966075,0.2338684805702145,0.13519035706942636
EOS-3-28619,FCc1cc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)ccc1Cl,ADNUFFZDRVNLHX-UHFFFAOYSA-N,3,1,0.381,66,225,421.785,4.919,4,0.439,0.79,1.0,0.5220940991021863,0.6992838050853266,0.994971215132616,0.9936090740867658,0.8024895483517237
EOS-3-28620,Cc1nccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)n1,NJCASEMAEIFLCR-UHFFFAOYSA-N,3,1,0.578,97,335,413.416,3.67,5,0.434,0.78,1.0,0.9589387293537112,0.842300047974779,0.6377818518264684,0.5799636762387773,0.7547460763484339
EOS-3-28621,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1F,RIRSDKDYSYZZOM-UHFFFAOYSA-N,3,1,0.598,37,619,416.42,2.742,5,0.42,0.72,1.0,0.7316153793434309,0.6600044548009046,0.3547734905078473,0.3433280789527791,0.5224303509012405
EOS-3-28623,CC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)c(F)c1F,NQZFBGIQSUOTOQ-UHFFFAOYSA-N,3,1,0.324,50,450,419.355,2.31,5,0.408,0.67,1.0,0.015531834692618738,0.16385100404358852,0.4745219655952299,0.4261531080803235,0.27001447810294016
EOS-3-28624,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cc1,LRGBCITUGDYZBX-UHFFFAOYSA-N,3,1,0.448,89,408,483.467,2.649,6,0.371,0.8,1.0,0.49663319854704957,0.24804674114179973,0.09401343293811254,0.11359742306901514,0.23807269892399424
EOS-3-28625,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)cc1F,RCNKXHBRVPAXHO-UHFFFAOYSA-N,3,1,0.529,73,469,437.385,3.583,5,0.418,0.6,1.0,0.7495459529847166,0.7800784730313207,0.8369542868891783,0.8035004454800905,0.7925197895963265
EOS-3-28626,CC#Cc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)n1,UNJKJDFVLQCFNS-UHFFFAOYSA-N,3,1,0.473,75,454,439.504,3.698,5,0.373,0.68,1.0,0.5299242683846207,0.41009012404907136,0.2587896648619012,0.20150263861284354,0.35007667397710923
EOS-3-28627,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cc(C)n2)ncn1,LJSULINZEAVAGA-UHFFFAOYSA-N,3,1,0.452,7,564,446.421,3.512,5,0.404,0.62,1.0,0.7756493729011035,0.5500222740045233,0.6315365636351176,0.5312350078815709,0.6221108046055788
EOS-3-28628,COc1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1ncc(F)cn1,KPGHGFYKCIJFAG-UHFFFAOYSA-N,3,1,0.575,49,896,477.887,4.066,5,0.346,0.82,1.0,0.8865225138784182,0.7717342882598862,0.46789973271194574,0.46716297717771227,0.6483298780069906
EOS-3-28629,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5cccc(Cl)c5)n4)n23)cc1,YVBFHNYCYNJJLR-UHFFFAOYSA-N,3,1,0.292,10,827,471.847,3.079,6,0.381,0.67,0.953,0.01903570694263587,0.1981015694606264,0.18177301076005756,0.410227194846138,0.20228437050236447
EOS-3-28630,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccc(Cl)nn1,WGBRIJKSJHBQJH-UHFFFAOYSA-N,3,1,0.452,95,569,451.853,2.791,5,0.387,0.64,0.999,0.46198855458844496,0.43737577959015833,0.2884397916523885,0.34645500651086286,0.38356478308546366
EOS-3-28631,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(COc5ncc(Cl)n5C)n34)c2)cn1,XEILHKPORWFLGJ-UHFFFAOYSA-N,3,1,0.362,92,351,438.854,3.297,5,0.418,0.66,1.0,0.37599376327873346,0.3910715509560688,0.5022616681516003,0.48225789870468094,0.43789622027277086
EOS-3-28632,Clc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5)c4)n23)c1,VJRFTQUWRRDHLH-UHFFFAOYSA-N,3,1,0.517,11,137,428.883,4.523,5,0.395,0.71,1.0,0.7465046946747995,0.8129497635528751,0.6583510383112878,0.7299533959289973,0.7369397231169899
EOS-3-28633,Clc1ncccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,CYRFRQSDASYULE-UHFFFAOYSA-N,3,1,0.313,30,158,452.869,3.544,6,0.373,0.65,1.0,0.028879103556987185,0.16385957096840517,0.16255739839627167,0.3118703310259749,0.16679160098690973
EOS-3-28634,COc1nc(-c2cn(C)cn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,OKFJSHIMGHOBMM-UHFFFAOYSA-N,3,1,0.512,65,456,428.456,2.612,5,0.39,0.65,1.0,0.43649338633404156,0.18467719827290796,0.1531594818723871,0.08476972106092796,0.21477494688506615
EOS-3-28635,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2C)ccn1,WVCDVVCFBIXCMM-UHFFFAOYSA-N,3,1,0.398,51,924,433.863,2.918,5,0.416,0.62,0.999,0.3293554245767939,0.3243009389349599,0.15944760468782126,0.15808546364197107,0.24279735796038654
EOS-3-28636,COc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)c(C)n1,GSBVVSQHHDFROV-UHFFFAOYSA-N,3,1,0.384,46,238,444.43,3.073,5,0.365,0.65,0.999,0.707139675142211,0.5359725173051881,0.39580049345486945,0.25456617092728395,0.47336971420738816
EOS-3-28637,Cc1cccc(-c2cc(-c3nnc4cncc(-c5cnn(-c6cnn(C)c6)c5)n34)ccc2Cl)n1,MKEDRCOAXGTWLO-UHFFFAOYSA-N,3,1,0.297,10,151,467.924,4.401,6,0.381,0.74,1.0,0.01904427386745254,0.2278116647248304,0.5860633267082448,0.5860119251593447,0.3547327976149681
EOS-3-28638,COc1ccc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)cc1-c1nccs1,MQQLIFBCIIOXOL-UHFFFAOYSA-N,3,1,0.495,4,224,453.915,3.889,5,0.385,0.72,1.0,0.3806113357549174,0.5085840586663012,0.31766157220204233,0.25143067644438355,0.3645719107669111
EOS-3-28639,Cc1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6(C)CC6)cn5)n34)ncn2)ccn1,TUCDCQPFFOBLFI-UHFFFAOYSA-N,3,1,0.265,33,432,463.505,3.296,6,0.421,0.65,0.929,0.14848194092248646,0.0484887944623398,0.05888904118977452,0.07783051195942704,0.08342257213350696
EOS-3-28640,COc1ccnc(COc2cncc3nnc(-c4cnnc(-c5cc(F)cnc5C)c4)n23)c1,YLUOQNCSOKETIK-UHFFFAOYSA-N,3,1,0.479,4,875,444.43,3.073,5,0.39,0.62,0.941,0.5665907065999589,0.5887190734014118,0.4395432115687753,0.315065793982592,0.4774796963881845
EOS-3-28641,Cc1cncc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)n(C)n4)n23)n1,ZGZGTOATMVSNSH-UHFFFAOYSA-N,3,1,0.375,7,694,433.863,2.918,5,0.389,0.66,0.999,0.2663456925502022,0.3092402851072579,0.1916678089233089,0.19583990130902612,0.24077342197244878
EOS-3-28642,Cn1nnc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)n1,GVTXDWWCYBVSJU-UHFFFAOYSA-N,3,1,0.5,36,404,420.824,2.004,5,0.42,0.65,1.0,0.3240696319649099,0.4008378452470701,0.09886231238434652,0.1227640326228497,0.23663345555479406
EOS-3-28643,Fc1ccnc(-c2nncc(CCc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)c1,WNUFROMBTCSPKA-UHFFFAOYSA-N,3,1,0.4,14,886,448.412,3.9,5,0.389,0.64,1.0,0.46459289973271195,0.5979542183537797,0.6377904187512851,0.7001833321910766,0.6001302172572134
EOS-3-28644,Fc1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)c(-c2ccccn2)c1,KPWVQXMFUGUEEP-UHFFFAOYSA-N,3,1,0.326,30,93,446.449,4.511,6,0.393,0.67,1.0,0.24784113494619972,0.3910801178808855,0.539998971969022,0.6540504420533205,0.4582426667123569
EOS-3-28645,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)ccn2)nn1,FRZJCUGIMZYBAP-UHFFFAOYSA-N,3,1,0.607,58,241,419.445,3.465,5,0.416,0.71,0.974,0.8599222123226646,0.7629360564731684,0.3248235213487766,0.33052052635186074,0.5695505791241177
EOS-3-28646,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)ncn1,YLUZXZABFRTBPQ-UHFFFAOYSA-N,3,1,0.464,87,307,428.431,3.107,5,0.406,0.63,1.0,0.6977674593927764,0.6215475292988829,0.4171064354739223,0.3692001918991159,0.5264054040161743
EOS-3-28647,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nc2)n(C)n1,RYFCSAAFTNQFEK-UHFFFAOYSA-N,3,1,0.528,51,69,467.415,3.283,5,0.388,0.68,1.0,0.5892930573641286,0.6122695497224316,0.7116630114454116,0.47619251593448014,0.597354533616613
EOS-3-28648,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)c2)cn1,ALUZQNBPUUQVPI-UHFFFAOYSA-N,3,1,0.418,46,157,451.824,4.154,5,0.371,0.7,1.0,0.7672366527311356,0.7366355972859983,0.8759680625042835,0.8754797477897334,0.8138300150777877
EOS-3-28649,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)ncn4)n23)cc1,XQEWKIVSGYSVOB-UHFFFAOYSA-N,3,1,0.554,24,633,421.873,3.937,5,0.424,0.69,1.0,0.7642210951956686,0.9160612706462888,0.46411315194297853,0.5210489342745528,0.6663611130148722
EOS-3-28650,Fc1cc(-c2nncs2)cnc1Oc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,WLNDZFAUIGFKHZ-UHFFFAOYSA-N,3,1,0.412,67,117,459.426,3.686,6,0.376,0.71,1.0,0.7006887807552601,0.645295044890686,0.2955846069494894,0.2752295935850867,0.47919950654513055
EOS-3-28651,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cnn1,UDEGUNCQVASOCC-UHFFFAOYSA-N,3,1,0.383,20,279,448.878,2.53,5,0.369,0.65,1.0,0.3505671304228634,0.3482968953464464,0.08468405181276129,0.10444794736481393,0.22199900623672125
EOS-3-28652,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)nc(C)n5)n34)ccc2F)cnn1,HWEFLDHWVCPHPH-UHFFFAOYSA-N,3,1,0.467,4,534,446.421,3.512,5,0.378,0.66,1.0,0.6461003358234528,0.7366441642108149,0.5797238023439106,0.514546638338702,0.6192537351792201
EOS-3-28653,Cn1nc(Cc2ccc(Cl)cn2)nc1-c1cncc2nnc(-c3ccc(Cl)cn3)n12,ZFVMDNIPZKEIHL-UHFFFAOYSA-N,3,1,0.312,50,844,438.282,3.274,5,0.425,0.59,0.882,0.14849050784730314,0.20740524981152766,0.11489959564114866,0.3057192790076074,0.19412865807689672
EOS-3-28654,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cn5)n34)nc2)nn1,UDXPADIHRIJBCG-UHFFFAOYSA-N,3,1,0.231,70,652,420.4,1.885,6,0.448,0.63,0.997,0.0952727708861627,0.09742306901514633,0.12060516756904942,0.13145946131176753,0.11119011719553148
EOS-3-28655,Cc1nccc(-n2ncc(-c3cccc(-c4cncc5nnc(-c6ccc(C(N)=O)cc6)n45)n3)n2)n1,OKVQGBKIXPTGQJ-UHFFFAOYSA-N,3,1,0.327,76,865,475.476,2.298,6,0.395,0.62,1.0,0.014675142210951956,0.010477349050784731,0.07769344116236036,0.049259817695839904,0.03802643752998424
EOS-3-28656,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,TYHAFCWQUQKGIP-UHFFFAOYSA-N,3,1,0.472,2,328,419.395,3.444,5,0.434,0.68,1.0,0.6768812966897403,0.49018230416009867,0.8369628538139949,0.7947022136933726,0.6996821670893016
EOS-3-28657,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(Cl)cn5)nc4)n23)cc1,JXWPJVCPOZIUFU-UHFFFAOYSA-N,3,1,0.376,14,260,413.872,4.196,5,0.439,0.8,1.0,0.38965800836131864,0.3863940100061682,0.502270235076417,0.5410441367966554,0.4548415975601398
EOS-3-28658,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(C)n2)nn1,QBRXUHGWJUYNQW-UHFFFAOYSA-N,3,1,0.449,53,617,445.874,3.283,5,0.401,0.62,1.0,0.5478034404770064,0.5785415667192104,0.15945617161263792,0.15521554382838737,0.3602541806593105
EOS-3-28659,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cccc(F)c5F)ncn4)n23)cc1F,VYSJDNMCZJJTAR-UHFFFAOYSA-N,3,1,0.573,59,488,452.371,4.384,5,0.368,0.75,0.998,0.9144421218559385,0.835309437324378,0.9661606469741622,0.9659636077033787,0.9204689534644643
EOS-3-28660,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2F)no1,CBMVLMSZFVOWTA-UHFFFAOYSA-N,3,1,0.539,37,589,451.849,3.959,5,0.382,0.71,1.0,0.8274021657185937,0.8206257281886095,0.45722534439037765,0.497498457953533,0.6506879240627785
EOS-3-28661,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)cn1,RAGBWHZICOTXTP-UHFFFAOYSA-N,3,1,0.284,99,286,424.392,0.414,6,0.386,0.66,0.995,0.01810191213761908,0.0347817147556713,0.003632376122267151,0.0024929751216503323,0.014752244534301967
EOS-3-28662,Cc1ncc(-c2ccnnc2COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,ALBFPRFOYOQKRD-UHFFFAOYSA-N,3,1,0.517,73,391,448.849,3.718,5,0.4,0.63,1.0,0.8533942156123638,0.9420961551641422,0.6346292234939346,0.6338839010348846,0.7660008738263312
EOS-3-28663,c1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cccs6)cn5)n34)n2)cc1,CFBJGKFKMIBVKI-UHFFFAOYSA-N,3,1,0.301,30,77,434.488,4.434,6,0.405,0.69,0.793,0.07489205674730999,0.13713933246521828,0.25520012336371733,0.3560499623055308,0.20582036872044412
EOS-3-28664,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)c1,WFSSZOVFVVMHTH-UHFFFAOYSA-N,3,1,0.527,15,490,415.432,3.347,5,0.423,0.76,1.0,0.6977760263175931,0.6171184291686657,0.5231649647042698,0.48226646562949765,0.5800814714550065
EOS-3-28665,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)cn1,MRQQZHNNZQIWFT-UHFFFAOYSA-N,3,1,0.622,18,73,415.432,3.347,5,0.423,0.76,1.0,0.4481358371598931,0.35299157014598037,0.6020577753409636,0.5576211363169077,0.49020157974093614
EOS-3-28666,Fc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5ccccc5F)c4)n23)cn1,YAZZQWFUDIRZIR-UHFFFAOYSA-N,3,1,0.581,19,669,431.406,3.543,5,0.38,0.68,1.0,0.8296724007950106,0.8089061750394079,0.7141902542663285,0.732797614968131,0.7713916112672194
EOS-3-28667,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnn(-c5nc(Cl)ccc5F)c4)n23)cc1,IQTINPRSKDHUHX-UHFFFAOYSA-N,3,1,0.527,89,731,464.848,2.842,5,0.383,0.67,1.0,0.4941230895757659,0.3817507367555342,0.45014049756699337,0.4102357617709547,0.43406252141731205
EOS-3-28668,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ncn2)[nH]c1F,VCMCJNFDUJUZAM-UHFFFAOYSA-N,3,1,0.388,46,599,437.826,3.046,5,0.445,0.63,0.215,0.6343550818998013,0.5311836063326708,0.3657220204235488,0.3946353916798026,0.48147402508395587
EOS-3-28669,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)s5)n34)ccc2F)nc1,QZXWUAMNISAWFV-UHFFFAOYSA-N,3,1,0.524,73,82,440.41,4.306,5,0.405,0.7,1.0,0.9277208553217737,0.9099787540264547,0.8117589610033582,0.8121530395449249,0.8654029024741279
EOS-3-28670,CCn1nc(-c2cc(Cl)ncn2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cn3)n12,WXAWUAGOCBAZIF-UHFFFAOYSA-N,3,1,0.292,33,432,461.877,1.935,5,0.388,0.6,0.174,0.10535604139538071,0.1446096909053526,0.011436844630251524,0.009834829689534644,0.06780935165512987
EOS-3-28671,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccnnc6)c5)n34)cn2)nn1,PZGGZKCTNBJQEM-UHFFFAOYSA-N,3,1,0.272,99,719,422.416,1.624,6,0.416,0.62,1.0,0.003178329106983757,0.012216434788568296,0.11178980193269823,0.10879137824686451,0.0589939860187787
EOS-3-28672,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)cn1,LCZCPYLXGKEUDH-UHFFFAOYSA-N,3,1,0.282,99,754,422.416,1.624,6,0.416,0.62,0.96,0.02651463230758687,0.026368994585703517,0.02521245973545336,0.02752552943595367,0.026405404016174354
EOS-3-28673,N#Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4F)n23)c(F)c1,JQCRHKWUNGLCJV-UHFFFAOYSA-N,3,1,0.427,13,374,417.335,3.783,5,0.434,0.71,1.0,0.855347474470564,0.8490764855047632,0.8953121787403193,0.8795490370776506,0.8698212939483243
EOS-3-28674,COc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(-c4noc(C)n4)nc3)n12,QSZPOGLTPNOAGJ-UHFFFAOYSA-N,3,1,0.322,42,369,465.477,3.621,6,0.376,0.71,1.0,0.2740987595092865,0.11046192858611473,0.18833527516962512,0.12052806524569941,0.17335600712768143
EOS-3-28675,Clc1cnc(-c2ccc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)cn2)cn1,UKZQRRHEPOVTAO-UHFFFAOYSA-N,3,1,0.466,55,434,452.265,3.319,5,0.37,0.63,1.0,0.6859108354465081,0.6894746761702419,0.4318929477074909,0.4701956685628127,0.5693685319717634
EOS-3-28676,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)ccn1,FRQPYUBOAJOWGI-UHFFFAOYSA-N,3,1,0.595,72,386,437.435,3.605,5,0.375,0.7,1.0,0.679854019601124,0.7041669522308273,0.6612809265985882,0.6627887053663217,0.6770226509492153
EOS-3-28677,Clc1cccc(CCOc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)n1,NHLGZKOUPGJRCH-UHFFFAOYSA-N,3,1,0.484,58,954,430.859,3.313,5,0.378,0.66,1.0,0.6259937632787335,0.6600130217257213,0.24105613049139882,0.30882050579124115,0.4589708553217737
EOS-3-28678,CCn1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)c1C,CKPWRKPRVQONOD-UHFFFAOYSA-N,3,1,0.457,7,535,447.89,3.401,5,0.389,0.66,1.0,0.26635425947501884,0.3580203550133644,0.13806456034541842,0.12915495853608389,0.2228985333424714
EOS-3-28680,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)nc1C,JSIPOSVTACKWET-UHFFFAOYSA-N,3,1,0.527,87,579,458.913,3.93,5,0.377,0.67,1.0,0.7223459666917963,0.8052994996915908,0.23402268521691455,0.22806010554451375,0.49743206428620385
EOS-3-28681,COc1ncc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1cncn1C,SNGZLZIKPRJSHO-UHFFFAOYSA-N,3,1,0.5,65,904,446.446,2.751,5,0.376,0.64,1.0,0.49922040984168325,0.40084641217188677,0.3958090603796861,0.2693698170104859,0.3913114248509355
EOS-3-28682,CC(C)(N)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)c5)ns4)n23)cn1,CGIIRQCBHCCUJW-UHFFFAOYSA-N,3,1,0.41,82,155,448.943,4.219,5,0.438,0.72,1.0,0.14285347131793572,0.2578044685079844,0.3212682475498595,0.2992084161469399,0.2552836508806799
EOS-3-28683,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1F,VWLITEYVHURWTP-UHFFFAOYSA-N,3,1,0.494,73,353,436.838,3.353,5,0.417,0.61,1.0,0.694811870331026,0.7459221437872661,0.5332225344390378,0.5346789116578713,0.6271588650538003
EOS-3-28684,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ncn4)n23)nc1,XCNVCQGDDVBWTL-UHFFFAOYSA-N,3,1,0.388,33,760,427.388,0.506,5,0.4,0.6,0.952,0.38283873620725106,0.10394249880063053,0.04617572476183949,0.023122130080186418,0.13901977246247688
EOS-3-28685,COc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)ccn2)cn1,NILIOJKKDJSVIB-UHFFFAOYSA-N,3,1,0.506,75,183,463.86,4.023,5,0.372,0.69,1.0,0.6461089027482695,0.7227743129326297,0.742752381605099,0.659738880131588,0.6928436193543965
EOS-3-28686,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)nc1,RLXILGZMQXFBKQ-UHFFFAOYSA-N,3,1,0.573,24,912,433.834,4.015,5,0.413,0.61,1.0,0.6287437461448838,0.6941522171201425,0.7116715783702282,0.7485179220067165,0.6957713659104927
EOS-3-28687,FC(F)c1cc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)ccc1Cl,JXAFVDYNFHYGFP-UHFFFAOYSA-N,3,1,0.564,68,900,456.762,4.77,4,0.403,0.74,1.0,0.948033034062093,0.9681224727571791,0.9911675005140155,0.9758926735658968,0.9708039202247961
EOS-3-28688,CCc1nc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)ccc1-c1ccnc(C)n1,SWSARILUHLCNHL-UHFFFAOYSA-N,3,1,0.489,31,690,449.478,3.36,5,0.383,0.66,0.245,0.45059454458227677,0.29438523747515594,0.24820094578849977,0.16311424850935508,0.28907374408882186
EOS-3-28689,Cn1ccnc1-c1cccc(-c2nnc3cncc(Oc4c(F)cc(F)cc4F)n23)c1,XSURBSXKMTWUBH-UHFFFAOYSA-N,3,1,0.488,13,724,422.37,4.401,5,0.429,0.71,1.0,0.6343636488246179,0.6648619011719553,0.9032965526694537,0.8795576040024673,0.7705199266671235
EOS-3-28690,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)n2)cc1,TVPLZROXZUKKCP-UHFFFAOYSA-N,3,1,0.279,10,887,452.869,3.544,6,0.399,0.61,0.974,0.013869851278185182,0.13714789939003497,0.32127681447467615,0.4385237475155918,0.22770457816462203
EOS-3-28691,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2C)n1,SKLCXPMNTICTMI-UHFFFAOYSA-N,3,1,0.362,51,924,446.862,2.678,5,0.397,0.59,0.99,0.5299328353094374,0.5131073949695018,0.05132444657665684,0.05728702624905764,0.2879129257761634
EOS-3-28692,Cc1cnc(F)cc1-c1ccnc(-c2nnc3cncc(OCc4cccc(F)c4)n23)c1,VTEJJYGCKKDFMP-UHFFFAOYSA-N,3,1,0.478,97,153,430.418,4.414,5,0.384,0.76,1.0,0.7192704406826126,0.6074720718250977,0.8663474059351655,0.8405095606880953,0.7583998697827429
EOS-3-28693,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cs2)nn1,AIQJQPRSZXZKPQ-UHFFFAOYSA-N,3,1,0.413,53,915,435.9,4.246,5,0.407,0.69,0.999,0.5862946336782948,0.5979627852785964,0.377424439723117,0.40071790829963677,0.4905999417449112
EOS-3-28694,Cc1ncccc1-c1ccc(CCc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,CUWNZZYJRPHVIQ-UHFFFAOYSA-N,3,1,0.421,14,886,426.911,4.995,5,0.395,0.81,0.999,0.47175484887944624,0.6215560962236996,0.6346377904187512,0.6773353437050237,0.6013210198067301
EOS-3-28695,Clc1nccc(COc2cncc3nnc(-c4ccc(-c5ncncn5)c(Cl)c4)n23)n1,SIHGSGQXNVLDJL-UHFFFAOYSA-N,3,1,0.523,73,610,452.265,3.319,5,0.37,0.67,1.0,0.7727537523130698,0.8423086148995956,0.4572339113151943,0.5044119662805839,0.6441770612021109
EOS-3-28696,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)ncn4)n23)cn1,UTUCLSNXDLNEII-UHFFFAOYSA-N,3,1,0.301,86,812,450.441,3.245,6,0.376,0.64,0.858,0.20120279624426016,0.22262010828592968,0.36952573504214925,0.35294873552189704,0.286574343773559
EOS-3-28697,Cc1cc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5nnn(C)n5)n4)n23)ccc1Cl,WVFQLCAEUQGWLB-UHFFFAOYSA-N,3,1,0.363,22,784,452.309,3.583,5,0.411,0.62,1.0,0.22042697553286272,0.3771331642793503,0.22658659447604687,0.4007264752244534,0.3062183023781783
EOS-3-28698,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ncn2)cn1,IWNBRRGDECPFTF-UHFFFAOYSA-N,3,1,0.616,1,996,465.395,3.963,5,0.333,0.76,1.0,0.8553560413953807,0.9270183674868069,0.9010263175930368,0.8496333356178466,0.8832585155232677
EOS-3-28699,c1ccc(-c2ncccc2-c2nnc3cncc(Cc4cccc(-c5cccnn5)c4)n23)nc1,ZZNTURQIQMMVFC-UHFFFAOYSA-N,3,1,0.307,30,371,442.486,4.296,6,0.393,0.66,1.0,0.16762045096292236,0.11970564046329929,0.41325988623123844,0.4483671441299431,0.2872382804468508
EOS-3-28700,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)s1,ITKXNRFPFMVUBI-UHFFFAOYSA-N,3,1,0.477,46,959,421.873,3.937,5,0.424,0.72,1.0,0.5893016242889453,0.55003084092934,0.32128538139949286,0.36285210060996503,0.4558674868069358
EOS-3-28701,Cc1nnc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(F)F)nn5)n34)c2)o1,YPFHNRIZBHMOCL-UHFFFAOYSA-N,3,1,0.389,53,587,438.358,2.246,5,0.385,0.61,0.952,0.4227691727777397,0.37714173120416694,0.16559865670618876,0.13146802823658418,0.2742443972311699
EOS-3-28702,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4cncnc4)n23)cc(Cl)n1,QWGHHRRJEFQXHZ-UHFFFAOYSA-N,3,1,0.552,11,361,447.861,4.057,5,0.362,0.69,1.0,0.937975464327325,0.9079826605441711,0.6935953670070591,0.7459221437872661,0.8213689089164553
EOS-3-28703,CCn1nncc1-c1cncc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)c1,RECXQNUVCNTZOB-UHFFFAOYSA-N,3,1,0.421,2,564,435.398,2.717,5,0.401,0.63,1.0,0.37364642587896646,0.29922554999657325,0.4247052977863066,0.4165924199849222,0.37854242341169214
EOS-3-28704,OCc1cncc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)c1,ZPGQCMDIUFYWMF-UHFFFAOYSA-N,3,1,0.457,2,419,463.86,3.507,5,0.407,0.68,1.0,0.7579501062298677,0.7181567404564457,0.8605475978342814,0.8363374683023782,0.7932479782057432
EOS-3-28705,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cncn1C,CKOHOZSPAVFZGT-UHFFFAOYSA-N,3,1,0.394,31,602,447.89,2.96,5,0.391,0.62,0.793,0.45750805290932767,0.4461311767527928,0.14395860461928586,0.14513227331916936,0.2981825269001439
EOS-3-28706,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ncccc3F)n12,AFMUDMJEGHFWOA-UHFFFAOYSA-N,3,1,0.512,11,0,436.447,4.21,5,0.397,0.7,1.0,0.7785449934891372,0.8387619080254952,0.6081574258104311,0.6250428346240834,0.7126267904872867
EOS-3-28707,Fc1ccnc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5cccc(F)n5)nn4)n23)c1,CXMDBPICORLBCM-UHFFFAOYSA-N,3,1,0.239,99,356,456.38,1.959,6,0.362,0.64,0.857,0.005097320265917346,0.05587348365430745,0.12061373449386609,0.23096429305736413,0.10313720786786376
EOS-3-28708,CCn1cc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)cn1,AAEKPQQQZGOHRK-UHFFFAOYSA-N,3,1,0.568,13,995,435.85,4.655,5,0.399,0.77,1.0,0.46930470838187927,0.49971729148105,0.7884826262764718,0.7901703104653554,0.6369187341511892
EOS-3-28710,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)sc1Br,JZFAEVKWWOYQNK-UHFFFAOYSA-N,3,1,0.592,90,708,454.712,4.69,4,0.447,0.72,1.0,0.7160664108011788,0.8490850524295799,0.4986378589541498,0.6338924679597012,0.6744204475361525
EOS-3-28711,N#Cc1ccc(-c2nnc3cncc(OCc4nccnc4-c4cccc(F)c4F)n23)cn1,HIUHHBXNBHIDLT-UHFFFAOYSA-N,3,1,0.457,4,71,442.389,3.372,5,0.407,0.62,1.0,0.8064389006922075,0.8317969981495442,0.7427609485299157,0.7328061818929477,0.7784507573161537
EOS-3-28712,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c(F)c2)cn1,ABKDWBGNXZSCQC-UHFFFAOYSA-N,3,1,0.44,51,969,448.849,3.718,5,0.4,0.65,1.0,0.7727623192378864,0.8551761359742307,0.5955383455554794,0.5860204920841615,0.7023743232129395
EOS-3-28713,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nn5)cs4)n23)nc1,WEJACHILAZSXGM-UHFFFAOYSA-N,3,1,0.418,54,128,457.306,3.986,5,0.39,0.68,1.0,0.4717634158042629,0.5887276403262285,0.24448290041806592,0.39464395860461926,0.4249044787882942
EOS-3-28714,Cn1ncc(-c2ccc(Oc3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)nc2)n1,MIZMFZWPYWTMOM-UHFFFAOYSA-N,3,1,0.37,94,318,466.44,3.37,6,0.376,0.69,0.997,0.4769207045438969,0.4414536358028922,0.36214104585018164,0.3464635734356795,0.40674473990816257
EOS-3-28715,Cc1cnc(F)c(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1,XVCAIRULHFESIR-UHFFFAOYSA-N,3,1,0.46,18,840,427.443,3.712,5,0.382,0.69,1.0,0.7316239462682476,0.5359810842300048,0.592402851072579,0.5210575011993694,0.5952663456925502
EOS-3-28716,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nc(C)no5)ccc4F)n23)nc1,AYHLTKSLZBNGQV-UHFFFAOYSA-N,3,1,0.429,46,348,417.404,3.571,5,0.427,0.76,1.0,0.5951442670139127,0.46805393735864576,0.42081591391953943,0.3464721403604962,0.45762156466314846
EOS-3-28717,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c(F)c1,AMPRWEKELYSYCP-UHFFFAOYSA-N,3,1,0.333,32,191,448.465,4.455,6,0.396,0.69,0.999,0.2823572750325543,0.33834212870947844,0.6231067096155164,0.6135802892193818,0.4643466006442328
EOS-3-28718,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)cn1,CEJYIHCMEWPQAS-UHFFFAOYSA-N,3,1,0.494,4,526,447.861,4.323,5,0.396,0.68,1.0,0.6403604961962854,0.6796055787814406,0.680085326571174,0.6743112192447399,0.66859065519841
EOS-3-28719,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncnc4)n23)cc(Cl)n1,RNFGFWFTZYVIEI-UHFFFAOYSA-N,3,1,0.489,65,361,433.863,2.652,5,0.376,0.62,0.94,0.6147539579192653,0.5836560208347612,0.2733791378246864,0.272205469124803,0.435998646425879
EOS-3-28720,OCc1cc(-c2nnc3cncc(OCc4cnc(-c5cscn5)cn4)n23)ccc1Cl,NNNVKQSJDBSPDR-UHFFFAOYSA-N,3,1,0.494,24,212,451.899,3.43,5,0.418,0.64,1.0,0.614762524844082,0.7844476046878213,0.5198238640257693,0.5177592351449524,0.6091983071756563
EOS-3-28722,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cc2Cl)cn1,ZFXGTGPIBKMSQB-UHFFFAOYSA-N,3,1,0.516,37,699,461.888,4.366,5,0.371,0.73,1.0,0.8534027825371805,0.9079912274689877,0.623115276540333,0.6426992666712357,0.7568021383044342
EOS-3-28723,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(C(F)(F)F)c4)n23)cn1,AOFSTKAUMBHMDN-UHFFFAOYSA-N,3,1,0.537,90,255,414.322,3.795,4,0.472,0.78,1.0,0.9677969296141457,0.9626910424234117,0.9948598451099994,0.985530463984648,0.9777195702830512
EOS-3-28724,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncnn5-c5cccc(Cl)n5)n34)nc2)n1C,WTBSSBCOVXSLPR-UHFFFAOYSA-N,3,1,0.255,99,852,469.9,3.191,6,0.361,0.69,0.299,0.039390720307038586,0.11971420738811596,0.1040281680487972,0.1380388595709684,0.10029298882873004
EOS-3-28725,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)n4C)n23)cn1,QQJKUXLLLUYMQX-UHFFFAOYSA-N,3,1,0.345,8,754,469.9,3.098,6,0.361,0.68,0.988,0.13476629429100132,0.2376293605647317,0.08701425536289494,0.142587896648619,0.15049945171681173
EOS-3-28726,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)nc2F)n1,YVWSIPCJLKRIRS-UHFFFAOYSA-N,3,1,0.375,31,662,431.435,2.712,5,0.391,0.66,1.0,0.3436022205469125,0.3243095058597766,0.1117983688575149,0.070068878075526,0.2124447433349325
EOS-3-28727,Fc1cccc(Oc2cncc3nnc(-c4ccc(-c5ccncn5)c(Cl)c4)n23)c1F,YWYYZAIWNBLAOH-UHFFFAOYSA-N,3,1,0.449,13,145,436.809,4.972,5,0.395,0.74,1.0,0.9277294222465904,0.9287660201494071,0.9503632376122267,0.9566684942772942,0.9408817935713796
EOS-3-28728,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4nnc(C)n4C)cn3)n12,SAZUMXGBZOXMLN-UHFFFAOYSA-N,3,1,0.323,52,295,481.52,2.858,6,0.393,0.78,1.0,0.1484990747721198,0.07474641902542663,0.034533273935987936,0.028544993489137138,0.07158094030566788
EOS-3-28729,Fc1ncc(Cl)c(-c2cccc(-c3nnc4cncc(OCc5cnccc5F)n34)c2)n1,LLIGRDWTMCZEQX-UHFFFAOYSA-N,3,1,0.462,16,89,451.824,4.154,5,0.371,0.73,1.0,0.8534113494619971,0.8387704749503119,0.8385049002809951,0.8460780618189295,0.8441911966280584
EOS-3-28730,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4cccnc4F)cn3)n12,DRUFGOSAGVQASW-UHFFFAOYSA-N,3,1,0.512,73,969,451.824,4.154,5,0.371,0.73,1.0,0.8828730039065177,0.9563600849838941,0.8173274621341923,0.8477571790829964,0.8760794325269001
EOS-3-28731,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ncc(Cl)cn5)n34)nc2)cn1,VFTZRSCLQKCLKI-UHFFFAOYSA-N,3,1,0.287,86,902,466.896,3.759,6,0.386,0.67,1.0,0.12370639435268316,0.21227126310739497,0.2919607977520389,0.340184017545062,0.24203061818929475
EOS-3-28732,N#Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5cccnc5)n4)n23)cc1F,YLITVJFVCSLUJF-UHFFFAOYSA-N,3,1,0.327,3,192,459.448,4.316,6,0.417,0.69,1.0,0.24784970187101638,0.43292097868549106,0.729884860530464,0.7786220958124872,0.5473194092248647
EOS-3-28734,Cc1nncc(COc2cncc3nnc(-c4ccc(-c5cnn(C)n5)cc4C#N)n23)n1,HCLWARYTRPZHLB-UHFFFAOYSA-N,3,1,0.385,92,105,425.416,1.531,5,0.406,0.64,0.804,0.4069203618669043,0.2889538071413885,0.12062230141868276,0.09414193681036255,0.22765960180933453
EOS-3-28735,Fc1cnc(-c2cnc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2F)nc1,PKSKHDFUBHGFMD-UHFFFAOYSA-N,3,1,0.456,18,263,437.435,3.605,5,0.401,0.61,1.0,0.7841734630936879,0.6402576930984853,0.43955177849359195,0.4608063189637448,0.5811973134123776
EOS-3-28736,CCn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cccc(OC)n4)n23)c1,PXJHOYMBMWXLPF-UHFFFAOYSA-N,3,1,0.479,15,561,441.495,3.7,5,0.362,0.68,1.0,0.34361078747172913,0.15225995476663698,0.2126910424234117,0.11595332739359879,0.20612877801384413
EOS-3-28737,Fc1cncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)c1,JOQPEUVHWZVVFO-UHFFFAOYSA-N,3,1,0.471,59,162,450.836,4.759,5,0.384,0.75,1.0,0.9083767390857378,0.9009406483448701,0.9319614831060242,0.945120279624426,0.9215997875402645
EOS-3-28738,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ncccc5F)ccn4)n23)cc1Cl,OLQRWAOWRYKELW-UHFFFAOYSA-N,3,1,0.575,59,692,450.836,4.759,5,0.384,0.72,1.0,0.8274107326434104,0.7886282639983552,0.9170293331505722,0.9308477828798575,0.8659790281680488
EOS-3-28739,Cc1cc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)cnn1,PFZLHVHLXLYEOP-UHFFFAOYSA-N,3,1,0.421,53,466,429.419,2.502,5,0.401,0.59,1.0,0.6147710917688987,0.5085926255911178,0.31372078678637516,0.29921698307175654,0.4340753718045371
EOS-3-28740,Fc1ccc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)cc1-c1ccccn1,QSTDVOXBALTMLC-UHFFFAOYSA-N,3,1,0.495,11,595,447.861,4.057,5,0.387,0.66,1.0,0.9144506887807553,0.9233517236652731,0.5501679117264067,0.639829346857652,0.7569499177575217
EOS-3-28741,COc1cc(COc2cncc3nnc(-c4ccc(-c5csc(C)n5)nc4)n23)sn1,XPBDTWATQUPERG-UHFFFAOYSA-N,3,1,0.53,55,283,437.51,3.662,5,0.397,0.69,1.0,0.3666986498526489,0.3435508189980125,0.0870228222877116,0.04513055993420602,0.21060071276814474
EOS-3-28742,Cc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)nn1,NAMBTAYHOMTWSR-UHFFFAOYSA-N,3,1,0.368,29,849,410.401,1.508,5,0.465,0.78,0.954,0.139932149955452,0.028793434308820507,0.042894592557055716,0.023790350215886505,0.05885263175930368
EOS-3-28743,CCn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3C)n12,KNRNFHXVPYAJBH-UHFFFAOYSA-N,3,1,0.329,22,311,434.866,4.233,5,0.393,0.71,1.0,0.17032759920498938,0.4283291069837571,0.24106469741621547,0.4230433143718731,0.3156911794942088
EOS-3-28744,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cnc2F)cn1,ILZAHFKVOXHBJI-UHFFFAOYSA-N,3,1,0.527,35,76,449.396,3.682,5,0.365,0.69,1.0,0.9291343979165239,0.9319100815571243,0.8589541498183811,0.8344099102186279,0.8886021348776643
EOS-3-28745,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cc2F)no1,VFSJJYVNEQEAKZ-UHFFFAOYSA-N,3,1,0.5,73,772,455.812,4.055,5,0.391,0.71,1.0,0.8885871427592351,0.7966897402508396,0.7427695154547324,0.7510108971283668,0.7947643238982934
EOS-3-28746,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)cc1,SYGUZPFPKKBKDA-UHFFFAOYSA-N,3,1,0.329,64,885,445.461,5.116,6,0.375,0.81,1.0,0.2767202385031869,0.367469673086149,0.6612894935234048,0.7561339181687341,0.5154033308203687
EOS-3-28747,Cn1cnnc1-c1nccc(COc2cncc3nnc(-c4ccc(C(F)F)c(F)c4)n23)n1,VWULTVBILFKKJW-UHFFFAOYSA-N,3,1,0.495,36,51,453.388,3.033,5,0.386,0.62,1.0,0.5776334726886437,0.640266260023302,0.5468867795216229,0.5076245630868343,0.5681027688301008
EOS-3-28748,Fc1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(Cl)nn5)cn4)n23)nc1,MSVYGIVPTDMYSC-UHFFFAOYSA-N,3,1,0.375,85,60,419.811,2.817,5,0.437,0.61,1.0,0.3413919539442122,0.36245802206839833,0.2695839901309026,0.38209341374820094,0.3388818449729285
EOS-3-28749,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1-c1ccccn1,URMJZLQBJQXKEQ-UHFFFAOYSA-N,3,1,0.462,97,383,446.417,4.114,5,0.363,0.7,1.0,0.9543297238023439,0.8053080666164074,0.8282417243506272,0.7354876293605648,0.8308417860324859
EOS-3-28750,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nccnn5)nc4)n23)c1F,AELHUURZSDQREV-UHFFFAOYSA-N,3,1,0.279,39,972,466.415,3.441,6,0.385,0.64,0.989,0.27672880542800354,0.3195891302857926,0.43566239462682477,0.517767802069769,0.3874370331025975
EOS-3-28751,Cn1ccnc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,YIYFUNOPKWMOKI-UHFFFAOYSA-N,3,1,0.554,4,208,436.838,3.353,5,0.417,0.6,1.0,0.45528065245699406,0.5042834624083339,0.49864642587896646,0.5242101295319033,0.49560516756904943
EOS-3-28752,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1Cl,JFWMYGRBUFIEJK-UHFFFAOYSA-N,3,1,0.549,16,214,452.305,4.473,5,0.366,0.74,1.0,0.5978342814063464,0.5684497292851758,0.8053166335412241,0.8184839969844425,0.6975211603042972
EOS-3-28753,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccnn4)n23)nc1,RBZHDQJOALALIZ-UHFFFAOYSA-N,3,1,0.271,94,892,448.425,3.301,6,0.374,0.62,0.872,0.2987372352820232,0.31959769721060927,0.38105681584538414,0.4293400041121239,0.3571829381125351
EOS-3-28754,Cc1cc(-c2cncnn2)ncc1-c1cncc2nnc(-c3cnc(C(C)(F)F)nc3)n12,FZYGQCZCZGRPEM-UHFFFAOYSA-N,3,1,0.264,50,489,432.398,2.915,5,0.422,0.57,0.998,0.24785826879583306,0.24294085395106574,0.42471386471112327,0.27523816050990335,0.2976877869919814
EOS-3-28755,N#Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(F)nn5)ccn4)n23)cn1,LEIKFSVXLIGPDW-UHFFFAOYSA-N,3,1,0.394,7,88,426.375,2.023,5,0.41,0.6,1.0,0.48417688986361457,0.45036323761222674,0.32846446439586047,0.30228394215612364,0.3913221335069564
EOS-3-28756,Cc1nc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)ncc1-c1ncccn1,MIIOAAYFHUYGET-UHFFFAOYSA-N,3,1,0.512,18,752,462.876,3.761,5,0.375,0.65,1.0,0.7897076965252553,0.7274004523336303,0.32483208827359333,0.4007350421492701,0.5606688198204373
EOS-3-28757,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)cc2F)n1,JIPBAWAWNMZJIU-UHFFFAOYSA-N,3,1,0.533,37,325,462.876,3.761,5,0.375,0.65,1.0,0.9389520937564252,0.9377698581317251,0.5536974847508739,0.5671903913371257,0.7494024569940374
EOS-3-28758,COc1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ncccc1F,JFYZJCYXHOLEFA-UHFFFAOYSA-N,3,1,0.526,35,161,460.444,4.157,5,0.36,0.71,1.0,0.8990302241107532,0.7844561716126379,0.8015814543211569,0.7219261873757796,0.8017485093550819
EOS-3-28759,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2F)cc1=O,JQWJEOCGMPGVJM-UHFFFAOYSA-N,3,1,0.658,59,96,464.407,3.548,5,0.396,0.64,1.0,0.9225378658076897,0.7844647385374546,0.9085309437324378,0.8906260708656021,0.876539904735796
EOS-3-28760,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)ccn1,KFKXFHDEGUKEDR-UHFFFAOYSA-N,3,1,0.405,82,680,419.37,4.387,5,0.402,0.78,1.0,0.32407819888972655,0.5595315605510246,0.9197793160167227,0.8975824138167363,0.6752428723185525
EOS-3-28761,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)nc2)cs1,DSFGMURZMZTRCT-UHFFFAOYSA-N,3,1,0.439,18,265,451.462,3.913,5,0.387,0.68,0.948,0.6736686998834899,0.6024432869577137,0.5332311013638544,0.4883575491741485,0.5744251593448017
EOS-3-28762,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cncc(-c4cc(F)ccn4)c3)n12,GIVLOWYXYVOATI-UHFFFAOYSA-N,3,1,0.474,65,349,430.447,3.051,5,0.408,0.65,1.0,0.4090620930710712,0.39108868480570214,0.30283222534439036,0.2842077307929546,0.3467976835035296
EOS-3-28763,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)on2)nn1,BCZNHDXQVVIZBQ-UHFFFAOYSA-N,3,1,0.289,42,608,422.412,2.699,6,0.421,0.65,1.0,0.051221643478856826,0.05588205057912412,0.1318107052292509,0.13804742649578508,0.09424045644575424
EOS-3-28764,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)cnn2)c1,GVMPURDKQWQIPB-UHFFFAOYSA-N,3,1,0.455,87,778,432.394,2.938,5,0.403,0.59,1.0,0.7129994517168118,0.664870468096772,0.5022788020012336,0.5410527037214722,0.6053003563840724
EOS-3-28765,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)s2)n1C,YEMQVAVONHQUHC-UHFFFAOYSA-N,3,1,0.311,30,945,450.531,4.686,6,0.387,0.74,0.92,0.06327530669590843,0.10735213487766432,0.1411315194297855,0.19584846823384278,0.12690185730930026
EOS-3-28766,Cc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5F)n34)ncn2)n1,QVMQEWWSQKFIOZ-UHFFFAOYSA-N,3,1,0.302,86,566,465.456,2.948,6,0.386,0.62,1.0,0.17033616612980604,0.2429494208758824,0.2340312521417312,0.2280686724693304,0.21884637790418748
EOS-3-28767,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3cccc(F)c3F)n12,RAKBRHJAIIDWGA-UHFFFAOYSA-N,3,1,0.512,57,962,433.393,4.85,5,0.397,0.77,1.0,0.94981495442396,0.9479901994380098,0.9708039202247961,0.9705040778562127,0.9597782879857446
EOS-3-28768,Fc1cc(Cc2cncc3nnc(-c4cnc(C(F)F)c(Cl)c4)n23)ccc1Cl,DAZVXNGHRBBBPJ-UHFFFAOYSA-N,3,1,0.396,23,225,424.213,5.161,4,0.454,0.78,0.978,0.427532382975807,0.6796141457062573,0.9869954081282982,0.9919385237475156,0.7715201151394695
EOS-3-28769,Cc1cc(-c2cc(-c3nnc4cncc(CCc5cccc(Cl)c5)n34)ccn2)ncn1,AIZAUHBUTNXPCB-UHFFFAOYSA-N,3,1,0.44,14,886,427.899,4.39,5,0.413,0.72,1.0,0.3389760811459119,0.3721215132615996,0.5299842368583373,0.579972243163594,0.4552635186073607
EOS-3-28770,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)cn1,YAQMFTZXQLPKDU-UHFFFAOYSA-N,3,1,0.518,59,401,451.824,4.154,5,0.371,0.71,1.0,0.8733208827359331,0.9617058460694949,0.8648910287163319,0.8740148036460832,0.8934831402919609
EOS-3-28771,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)c(F)c2)nc1,AOGFYAYGFCUXQL-UHFFFAOYSA-N,3,1,0.31,42,693,450.437,4.413,6,0.389,0.7,1.0,0.34838256459461314,0.3771502981289836,0.582936399150161,0.5735813172503598,0.4705126447810294
EOS-3-28772,Cc1ncc(Oc2ccnc(Cl)n2)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,FBOIOMZYGLXDKD-UHFFFAOYSA-N,3,1,0.379,22,155,451.277,4.446,5,0.37,0.77,1.0,0.6260023302035501,0.7844733054622712,0.4816325131930642,0.5508446987869234,0.6107382119114523
EOS-3-28773,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)nc2)c1F,SIACBUILPFPUMH-UHFFFAOYSA-N,3,1,0.286,69,498,464.439,4.651,6,0.375,0.75,1.0,0.27960729216640395,0.34830546227126313,0.8634774861215818,0.879566170927284,0.5927391028716332
EOS-3-28774,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nccnc3-c3ccccn3)n12,ZRJSTCVPXMOMIG-UHFFFAOYSA-N,3,1,0.541,24,10,433.834,4.015,5,0.413,0.65,1.0,0.8117503940785415,0.9270269344116236,0.5633438420944418,0.6484134055239531,0.73763364402714
EOS-3-28775,Cc1cn(C)c(-c2ccc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)nc2)n1,POCDEQHLLLHPPU-UHFFFAOYSA-N,3,1,0.342,22,844,419.851,4.355,5,0.434,0.77,0.994,0.2689500376944692,0.4329295456103077,0.6525340963607703,0.705589061750394,0.5150006853539852
EOS-3-28776,Cc1nc(C)c(-c2cnc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)cn2)[nH]1,MQZNLESKSRDATP-UHFFFAOYSA-N,3,1,0.299,86,72,446.478,3.712,6,0.435,0.58,0.788,0.0632838736207251,0.06378075526009183,0.16256596532108833,0.15522411075320403,0.11121367623877733
EOS-3-28777,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)cn1C,XWYOFVIHVDPGJO-UHFFFAOYSA-N,3,1,0.372,74,139,410.441,2.661,5,0.487,0.78,1.0,0.13477486121581797,0.07807038585429374,0.24107326434103216,0.13559728599821808,0.14737894935234047
EOS-3-28778,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cc2)nc1,FMNODRKACQNEJT-UHFFFAOYSA-N,3,1,0.303,69,150,416.448,4.101,6,0.43,0.75,1.0,0.005534233431567405,0.04849736138715647,0.48861455691864847,0.5008566924816668,0.26087571105475976
EOS-3-28779,CCn1c(-c2cncc(-c3nnc4cncc(OCc5nc(C)cs5)n34)c2)nc(C)c1C,VDSLPADGGHDAKZ-UHFFFAOYSA-N,3,1,0.443,92,464,446.54,4.03,5,0.388,0.76,1.0,0.23965972174628195,0.15985025015420465,0.02322493317798643,0.010717222945651429,0.1083630320060311
EOS-3-28780,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3nnn(-c4ccccc4)n3)n12,JVXPFQTWSLXUQB-UHFFFAOYSA-N,3,1,0.31,10,973,425.391,2.358,6,0.456,0.58,1.0,0.04078712905215544,0.2528956205880337,0.14396717154410252,0.22480467411417998,0.16561364882461793
EOS-3-28781,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccccc4)n23)cc1,PAKLCYXKMVLXQP-UHFFFAOYSA-N,3,1,0.353,69,220,429.487,4.921,6,0.398,0.77,1.0,0.1568346926187376,0.05589061750394079,0.6439586046192859,0.6484219724487698,0.37627647179768353
EOS-3-28782,Fc1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnn5)n4)n23)c(F)c1,VFZLEPRUVBUOPR-UHFFFAOYSA-N,3,1,0.484,73,446,419.355,2.29,5,0.423,0.67,1.0,0.7130080186416284,0.7800870399561374,0.39581762730450276,0.43574806387499143,0.581165187444315
EOS-3-28783,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(CF)nc5)cnn4)n23)nc1,UBWJANDIPZLKRJ-UHFFFAOYSA-N,3,1,0.276,33,432,473.447,2.874,5,0.383,0.66,0.878,0.1513432938112535,0.05589918442875745,0.2518932903844836,0.20751661983414432,0.1666630971146597
EOS-3-28784,CN(C)c1ncncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1,NTHBEOPUJVJPRL-UHFFFAOYSA-N,3,1,0.294,42,762,472.516,3.833,6,0.369,0.69,1.0,0.052797957645123704,0.014889315331368651,0.2444914673428826,0.1552326776780207,0.11685285449934893
EOS-3-28786,COc1ccc(-c2nnc3cncc(OCc4ccnc(-c5c(F)cccc5OC)c4)n23)cn1,QYVHNVSCXBWIHX-UHFFFAOYSA-N,3,1,0.463,97,383,458.453,3.984,5,0.361,0.71,1.0,0.7981546843944898,0.7088616270303612,0.7042269207045438,0.5109570968405182,0.6805500822424783
EOS-3-28787,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)s1,CMVWOXIUDSVMNL-UHFFFAOYSA-N,3,1,0.289,76,176,438.48,3.167,6,0.412,0.59,0.993,0.06511719553149202,0.05983140291960798,0.030678157768487424,0.06497155780960866,0.05514957850729903
EOS-3-28788,Cn1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)cn2)cn1,QAVKEYNUMMJJPQ-UHFFFAOYSA-N,3,1,0.26,86,652,437.492,3.772,6,0.414,0.61,1.0,0.04079569597697211,0.07807895277911041,0.25190185730930026,0.26038311287780136,0.15778990473579602
EOS-3-28789,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1cccnc1,XRTYNLZJFZNMSN-UHFFFAOYSA-N,3,1,0.566,97,92,426.455,4.583,5,0.409,0.77,1.0,0.6230895757658831,0.6453036118155027,0.742778082379549,0.6597474470564046,0.6677296792543348
EOS-3-28790,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2F)n1,VLCOXJOHMUWHCX-UHFFFAOYSA-N,3,1,0.523,20,846,416.42,2.742,5,0.42,0.7,1.0,0.6343722157494346,0.6122781166472483,0.3810653827702008,0.3401925844698787,0.4919770749091906
EOS-3-28791,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)c(F)c1,KEXKPBFMSPNKMK-UHFFFAOYSA-N,3,1,0.512,20,658,416.42,2.742,5,0.42,0.7,1.0,0.6431533136865191,0.5836645877595779,0.40992735247755463,0.3724299225549997,0.5022937941196628
EOS-3-28792,COc1cc(-c2ncnn2C)ccc1-c1cncc2nnc(-c3ncncc3-c3cccnc3)n12,ZTUDYPCJOUJXGQ-UHFFFAOYSA-N,3,1,0.295,94,615,462.477,3.114,6,0.38,0.66,0.998,0.12645637721883352,0.016328558700568842,0.237338085120965,0.19859845109999313,0.1446803680350901
EOS-3-28793,Cc1cc(-c2ncnn2C)ccc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)cc3)n12,YYZZARKHVXZECV-UHFFFAOYSA-N,3,1,0.324,9,98,461.533,4.271,6,0.389,0.71,1.0,0.1027516962511137,0.0637893221849085,0.3509183743403468,0.26937838393530256,0.19670944417791789
EOS-3-28794,COc1ccc(-c2cc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cnn2)cn1,YIKZKOFUQUAHDU-UHFFFAOYSA-N,3,1,0.571,13,374,431.843,4.098,5,0.41,0.63,1.0,0.5093550818998013,0.6024518538825303,0.6140172023850319,0.5922914810499623,0.5795289048043315
EOS-3-28795,Cc1ccnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n1,XEPRZXZXMMEQAU-UHFFFAOYSA-N,3,1,0.404,18,116,429.419,2.502,5,0.375,0.64,1.0,0.6176924131313823,0.5042920293331505,0.14114008635460215,0.12512850387225002,0.3470632581728463
EOS-3-28796,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1F,CUVKCBPGBWZQGO-UHFFFAOYSA-N,3,1,0.456,73,353,438.373,2.978,5,0.389,0.64,1.0,0.7372781166472483,0.7413474059351655,0.6052875059968473,0.5766311424850935,0.6651360427660886
EOS-3-28797,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)on1,PQXWGTDRHNGSRB-UHFFFAOYSA-N,3,1,0.291,70,723,422.412,2.699,6,0.421,0.62,0.999,0.06909224864642588,0.05208690288534028,0.12063086834349941,0.14514084024398602,0.0967377150298129
EOS-3-28798,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ccc2F)cs1,ZUGZLLYTERMLPB-UHFFFAOYSA-N,3,1,0.561,97,214,424.486,4.398,5,0.416,0.77,1.0,0.7813720786786376,0.7546689740250839,0.46412171886779524,0.432509766294291,0.6081681344664519
EOS-3-28799,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)nc1,XIXVGCISQISOMW-UHFFFAOYSA-N,3,1,0.523,97,214,450.911,4.035,5,0.417,0.69,1.0,0.7435405386882324,0.6941607840449592,0.6663696799396889,0.6597560139812213,0.6909567541635254
EOS-3-28802,COc1ncc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)cc1-c1ccccc1,MRMNQAIDFJMEAR-UHFFFAOYSA-N,3,1,0.411,4,506,427.468,3.483,5,0.41,0.7,1.0,0.3089490096634912,0.18062504283462408,0.24820951271331643,0.14998971969021999,0.22194332122541294
EOS-3-28804,c1c[nH]c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)nc5)n34)cn2)n1,CCANOWRGIODLCZ-UHFFFAOYSA-N,3,1,0.274,70,191,423.465,3.762,6,0.459,0.65,0.923,0.06910081557124255,0.14837057089986977,0.2810722363100541,0.28421629771777124,0.19568998012473443
EOS-3-28805,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)s1,SCHNEORGLXHHCZ-UHFFFAOYSA-N,3,1,0.512,72,820,422.42,4.167,5,0.423,0.74,1.0,0.8345384140908779,0.8387790418751285,0.7708004934548695,0.7689757384689192,0.8032734219724488
EOS-3-28806,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)nn4)n23)cn1,BPTMATZACIOARM-UHFFFAOYSA-N,3,1,0.337,82,204,409.413,2.065,5,0.478,0.81,0.939,0.13478342814063463,0.05209546981015695,0.1260965663765335,0.0922143787266123,0.10129746076348434
EOS-3-28807,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccn2)c(F)n1,HFVDCSBIORNCQT-UHFFFAOYSA-N,3,1,0.457,75,329,431.435,2.62,5,0.387,0.64,1.0,0.47177198272907955,0.3817593036803509,0.09887087930916318,0.08477828798574463,0.2592951134260846
EOS-3-28808,Cc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cnc1Oc1ncccn1,SDNSKYODUWPTRJ-UHFFFAOYSA-N,3,1,0.512,65,234,426.44,3.094,5,0.387,0.68,1.0,0.4992289767664999,0.2889623740662052,0.17222945651428964,0.09415050373517922,0.2636428277705435
EOS-3-28809,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)ccc1F,HDPOPXGSRWWUEA-UHFFFAOYSA-N,3,1,0.473,4,390,431.406,3.809,5,0.391,0.7,1.0,0.6461174696730861,0.7041755191556439,0.7141988211911452,0.6513518607360702,0.6789609176889864
EOS-3-28810,Cc1ncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nn5)n34)ccc2F)s1,RYZCVJSLWFAPSE-UHFFFAOYSA-N,3,1,0.43,53,670,454.878,3.78,5,0.395,0.71,0.79,0.48923994243026525,0.6307055719279008,0.24450003426769926,0.3022925090809403,0.4166845144267014
EOS-3-28811,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)nc1,IQZGISGGTVRIQG-UHFFFAOYSA-N,3,1,0.31,38,193,421.424,3.304,6,0.426,0.63,1.0,0.17863751627715715,0.08509526420396135,0.2695925570557193,0.27221403604961963,0.20138484339661433
EOS-3-28812,Cn1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)n1,IYUBHFBBAJLOHE-UHFFFAOYSA-N,3,1,0.379,14,357,410.441,2.276,5,0.475,0.75,1.0,0.05987423754369132,0.03479028168048797,0.25520869028853405,0.15809403056678775,0.12699181001987528
EOS-3-28813,CCn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)cn4)n23)cn1,WFFOJZIOJFHVAS-UHFFFAOYSA-N,3,1,0.287,70,687,450.531,4.86,6,0.373,0.79,1.0,0.09769721060927969,0.08164279350284422,0.26244774175861835,0.26938695086011927,0.17779367418271538
EOS-3-28814,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ccnc(CF)c5)nc4)n23)n1,JGGXZEDGXKLURC-UHFFFAOYSA-N,3,1,0.489,4,464,433.472,4.062,5,0.399,0.73,1.0,0.4769292714687136,0.49972585840586664,0.27744842711260365,0.22807723939414706,0.37054519909533273
EOS-3-28815,O=c1[nH]cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cccc(F)c1,HTPOHNHBOKLFQY-UHFFFAOYSA-N,3,1,0.469,72,132,463.86,3.351,5,0.411,0.67,1.0,0.47693783839353027,0.46376190802549516,0.5768196148310603,0.6684942772942225,0.546503409636077
EOS-3-28816,Cc1cc(C)cc(-c2ccnc(-c3nnc4cncc(OCCc5nccs5)n34)c2)c1,OQZGCQDCKZCTJQ-UHFFFAOYSA-N,3,1,0.523,11,796,428.521,4.548,5,0.395,0.79,1.0,0.42521074635049005,0.2529041875128504,0.3212939483243095,0.2960900555136728,0.32387473442533066
EOS-3-28817,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(F)c1,MYUSHZZRTFZFQA-UHFFFAOYSA-N,3,1,0.342,9,642,454.494,4.516,6,0.389,0.71,1.0,0.23410835446508121,0.32865293674182716,0.5829449660749777,0.6041138372969639,0.4374550236447125
EOS-3-28818,N#Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,UOENXCKCIFAZLU-UHFFFAOYSA-N,3,1,0.433,18,720,455.869,3.185,5,0.379,0.62,0.995,0.6828353094373244,0.7134963333561785,0.4356709615516414,0.4639589472962785,0.5739903879103557
EOS-3-28819,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)c(F)cn1,KFDGGOSMFZCZPS-UHFFFAOYSA-N,3,1,0.433,92,728,439.802,1.538,5,0.371,0.61,1.0,0.5141611267219519,0.602460420807347,0.10925399218696456,0.16083544650812145,0.34667774655609623
EOS-3-28820,O=c1[nH]c(C(F)F)nc(-c2ccc(C(F)F)cn2)c1-c1nnc2cncc(Cl)n12,BAQMKOINYGGELE-UHFFFAOYSA-N,3,1,0.447,68,861,425.733,3.465,4,0.502,0.59,0.626,0.3460694948941128,0.4195223082722226,0.860556164759098,0.8781183606332671,0.6260665821396751
EOS-3-28821,Cc1ccc(-c2cc(F)cc(COc3cncc4nnc(-c5ccncc5)n34)c2)nn1,XSQMVJDVVKSEEX-UHFFFAOYSA-N,3,1,0.524,72,534,413.416,3.67,5,0.434,0.79,1.0,0.5978428483311631,0.5595401274758413,0.6583596052361045,0.5981169899252964,0.6034648927421012
EOS-3-28822,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)n2)n1,WTZWOQNVRNSELB-UHFFFAOYSA-N,3,1,0.279,39,527,438.39,1.82,6,0.375,0.6,0.42,0.00872112946336783,0.10066136659584675,0.021168871221986157,0.04645843328078953,0.044252450140497564
EOS-3-28823,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)cn2)nc1,DTAUGRBDSBRKLT-UHFFFAOYSA-N,3,1,0.333,32,191,418.42,3.965,6,0.423,0.78,1.0,0.09067233225961209,0.11341751764786512,0.3920310465355356,0.39465252552943597,0.2476933554931122
EOS-3-28824,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cnn2)c1,VEHVGRDDTIWIKL-UHFFFAOYSA-N,3,1,0.63,84,73,447.861,4.057,5,0.387,0.64,1.0,0.9038020012336372,0.8916969364676856,0.754617572476184,0.8035090124049071,0.8384063806456035
EOS-3-28825,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)c(F)c1,BQCKFINAWXWQKQ-UHFFFAOYSA-N,3,1,0.484,26,490,467.867,4.14,5,0.373,0.7,1.0,0.827419299568227,0.7844818723870879,0.7995425262147899,0.8098228359947913,0.8053166335412241
EOS-3-28826,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nc5)cn4)n23)cn1,RVVZZVURRYNHEW-UHFFFAOYSA-N,3,1,0.465,51,969,414.404,3.065,5,0.404,0.81,1.0,0.6768898636145569,0.7459307107120828,0.4430213830443424,0.37243848947981634,0.5595701117126997
EOS-3-28827,COc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)n5)n4)n23)cc1,BMLHFFJTDMDGSK-UHFFFAOYSA-N,3,1,0.512,92,408,415.417,1.964,5,0.41,0.73,1.0,0.35766054417106435,0.18909773147830855,0.13484339661435132,0.07783907888424371,0.18986018778699199
EOS-3-28828,Cc1ccc(-c2nnc3cncc(OCc4scnc4-c4ccc(F)c(F)c4)n23)cn1,OPXHFUUJUKGBCM-UHFFFAOYSA-N,3,1,0.516,59,109,436.447,4.475,5,0.404,0.75,1.0,0.7813806456034542,0.7929716948804058,0.7116801452950449,0.6917791789459256,0.7444529161812076
EOS-3-28829,O=C(NCc1cnccn1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccnnc5)nn4)n23)cc1,HEPGWAYZCXNFPY-UHFFFAOYSA-N,3,1,0.348,86,620,476.464,1.549,6,0.374,0.67,1.0,0.008729696388184497,0.0038722500171338497,0.10649544239599754,0.07007744500034267,0.04729370845041464
EOS-3-28830,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)cn5)n34)cn2)nn1,ZPASVQJXYWOGCN-UHFFFAOYSA-N,3,1,0.329,70,14,447.466,2.809,6,0.401,0.58,1.0,0.024261531080803235,0.05590775135357412,0.14687135905695292,0.13147659516140087,0.08962930916318279
EOS-3-28831,COc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cccc(N(C)C)n3)n12,YHELXIACHRYHSI-UHFFFAOYSA-N,3,1,0.462,49,710,455.482,2.692,5,0.363,0.67,0.899,0.26368994585703515,0.09743163593996298,0.0895243643341786,0.01916421081488589,0.11745253923651566
EOS-3-28832,Fc1cc(CCOc2cncc3nnc(-c4cnnc(-c5ncccc5F)c4)n23)ccn1,NOHXRQGGNZPAQS-UHFFFAOYSA-N,3,1,0.5,58,778,432.394,2.938,5,0.377,0.65,1.0,0.722354533616613,0.7041840860804606,0.5231735316290864,0.5376173668699884,0.621832379549037
EOS-3-28833,Clc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)cn5)n34)cc2)ccn1,FQRUZWLXHHHUSH-UHFFFAOYSA-N,3,1,0.325,42,167,464.88,3.816,6,0.358,0.7,1.0,0.23411692138989787,0.3530001370707971,0.5056970050030841,0.5860290590089782,0.41971078061818934
EOS-3-28834,COCc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)cn1,BVPCABBYVPIYKM-UHFFFAOYSA-N,3,1,0.436,46,128,444.43,2.903,5,0.374,0.59,1.0,0.48667843191008153,0.495074018230416,0.4395603454184086,0.36920875882393256,0.4476303885957097
EOS-3-28836,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1ncccn1,BBEUHEQBMMFQSU-UHFFFAOYSA-N,3,1,0.7,91,955,458.909,4.532,5,0.354,0.74,1.0,0.9199249537386059,0.8521177438146803,0.6612980604482215,0.6104190939620314,0.7609399629908847
EOS-3-28837,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ncn2)cn1,WBLQLSHKVRCZJD-UHFFFAOYSA-N,3,1,0.426,46,238,431.847,2.974,5,0.387,0.64,1.0,0.4434754300596258,0.4680625042834624,0.2659087793845521,0.23683263655678158,0.3535698375711055
EOS-3-28838,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,RSIYTEXBZGRJCG-UHFFFAOYSA-N,3,1,0.53,20,846,414.404,2.799,5,0.418,0.73,1.0,0.7553029264615174,0.7088701939551778,0.2919693646768556,0.2842248646425879,0.5100918374340346
EOS-3-28839,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)nn5)nc4)n23)nc1,DRCGEQQZPZAYHL-UHFFFAOYSA-N,3,1,0.468,51,795,467.28,2.757,5,0.367,0.64,1.0,0.737286683572065,0.82460934822836,0.09173463093687889,0.16859708039202248,0.4555569357823316
EOS-3-28840,CCn1cc(-c2ccncc2)c(Cc2cncc3nnc(-c4ccc(Cl)cn4)n23)n1,UIUXPAMNROWGRN-UHFFFAOYSA-N,3,1,0.37,85,60,416.876,3.709,5,0.434,0.74,1.0,0.11290350215886505,0.17192961414570626,0.22659516140086355,0.3150743609074087,0.2066256596532109
EOS-3-28841,COc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)ncn2)cn1,NJHZHNWLGWJTOO-UHFFFAOYSA-N,3,1,0.517,73,354,448.393,2.904,5,0.387,0.63,1.0,0.8274278664930437,0.7587639640874512,0.5797323692687273,0.467171544102529,0.6582739359879377
EOS-3-28843,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)cc2)s1,VNUMAMZACLNQQV-UHFFFAOYSA-N,3,1,0.56,72,889,447.499,4.082,5,0.387,0.68,1.0,0.789716263450072,0.7929802618052224,0.32484065519841,0.2693955177849359,0.54423317455966
EOS-3-28844,Cc1c(F)ccc(-c2cc(-c3nnc4cncc(OCCc5cncn5C)n34)cnn2)c1F,UELADRWLURWACE-UHFFFAOYSA-N,3,1,0.446,37,778,448.437,3.19,5,0.394,0.64,0.814,0.547812007401823,0.4283376739085738,0.5860718936330614,0.5277054348571036,0.5224817524501405
EOS-3-28845,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2C)ccc1F,CWDFIZSORIHHLX-UHFFFAOYSA-N,3,1,0.429,95,477,448.437,3.19,5,0.394,0.64,0.902,0.4552892193818107,0.3383506956342951,0.3469518881502296,0.34020115139469537,0.3701982386402577
EOS-3-28846,Cc1cc(-c2cnnc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c2)ncn1,RZTNHLJVAHCKTA-UHFFFAOYSA-N,3,1,0.388,31,466,446.862,2.412,5,0.383,0.59,0.993,0.5192670139126859,0.4997344253306833,0.08703138921252827,0.1044565142896306,0.302622335686382
EOS-3-28848,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ncn2)nn1,LCUZREYTWMJJFQ-UHFFFAOYSA-N,3,1,0.396,44,488,450.384,3.343,5,0.376,0.65,0.036,0.7071482420670276,0.597971352203413,0.7500856692481667,0.7085617846617778,0.6909417620450963
EOS-3-28849,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,PQNUQYYYLLPTGC-UHFFFAOYSA-N,3,1,0.307,8,42,449.482,2.927,6,0.394,0.6,1.0,0.09770577753409636,0.021708587485436227,0.027345624014803647,0.041318278390788846,0.04701956685628127
EOS-3-28850,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnn(C(F)F)c5)n4)n23)nc1,UWFGREFTERTJLB-UHFFFAOYSA-N,3,1,0.239,99,286,461.4,1.821,6,0.377,0.63,0.698,0.003186896031800425,0.0912805839215955,0.12063943526831608,0.11818072784593242,0.08332191076691112
EOS-3-28851,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3ccn(C)n3)n12,JBSFIRGIUFCZIF-UHFFFAOYSA-N,3,1,0.452,92,375,416.445,2.513,5,0.419,0.74,1.0,0.19843567952847646,0.12687615653485024,0.21269960934822835,0.09619799876636283,0.15855236104447945
EOS-3-28852,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cnc(Cl)nc1,KKBMNPMNYNJGME-UHFFFAOYSA-N,3,1,0.488,65,462,433.863,2.652,5,0.376,0.67,1.0,0.3896665752861353,0.34355938592282914,0.21962168460009596,0.22209752587211296,0.29373629292029335
EOS-3-28853,OCc1cnc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5Cl)cn4)n23)cn1,BTELGBPIFJNNBY-UHFFFAOYSA-N,3,1,0.281,50,155,434.822,2.99,5,0.429,0.59,0.998,0.35057569734768007,0.4549808100884107,0.5988623123843465,0.656826125693921,0.5153112363785896
EOS-3-28854,CC(O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cn1,BBWZCRWWHLYLMP-UHFFFAOYSA-N,3,1,0.529,4,205,431.481,3.337,5,0.436,0.62,1.0,0.4204818038516894,0.4461397436776095,0.45014906449181,0.29312589952710577,0.40247412788705367
EOS-3-28855,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)cc1=O,OCUVCGDBDSEDCZ-UHFFFAOYSA-N,3,1,0.447,16,55,447.405,2.804,5,0.382,0.62,1.0,0.5978514152559797,0.4148019326982386,0.6990267973408265,0.6456891234322527,0.5893423171818244
EOS-3-28856,COc1ncc(-c2nnc(C)o2)cc1COc1cncc2nnc(-c3ccc(Cl)c(C)c3)n12,GIBRRMCAZAPAKM-UHFFFAOYSA-N,3,1,0.494,16,677,463.885,4.094,5,0.367,0.73,1.0,0.5893101912137619,0.6307141388527174,0.37743300664793367,0.2869063121102049,0.4710909122061545
EOS-3-28857,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)s5)cc4)n23)cc1,ATRCCXOCRRTDJX-UHFFFAOYSA-N,3,1,0.542,1,637,476.949,4.507,5,0.387,0.83,1.0,0.7756579398259201,0.5268401754506202,0.6110701802480981,0.4912874374614488,0.6012139332465217
EOS-3-28858,Cc1c(F)ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)c1F,BQWRHFZESBTCKW-UHFFFAOYSA-N,3,1,0.585,35,393,444.445,4.456,5,0.385,0.7,1.0,0.8687718456582825,0.7759063806456035,0.8663559728599822,0.8204372558426427,0.8328678637516277
EOS-3-28859,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nc1,DJUATBZGOALQBQ-UHFFFAOYSA-N,3,1,0.582,35,921,443.898,4.227,5,0.363,0.7,1.0,0.9069888972654376,0.8670156260708656,0.512893221849085,0.4975070248783497,0.6961011925159345
EOS-3-28860,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)nn1,UXOVYPCURWIJFG-UHFFFAOYSA-N,3,1,0.282,98,63,453.445,2.583,6,0.4,0.58,0.901,0.13994071688026866,0.21227983003221162,0.19167637584812555,0.21371050647659517,0.18940185730930026
EOS-3-28861,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,LVBINYNOPNVEEX-UHFFFAOYSA-N,3,1,0.312,38,154,420.44,3.039,6,0.466,0.61,1.0,0.12371496127749983,0.06379788910972517,0.19168494277294224,0.18497704064149134,0.14104370845041464
EOS-3-28862,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccccn5)nnc4Cl)n23)nc1,PLUCFQKUCNKQED-UHFFFAOYSA-N,3,1,0.438,33,348,473.884,2.63,5,0.395,0.65,1.0,0.537446028373655,0.410098690973888,0.1722380234391063,0.14031766157220205,0.3150251010897128
EOS-3-28863,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cnncn5)cn4)n23)cn1,DDRADSWNQBKDAK-UHFFFAOYSA-N,3,1,0.424,46,62,417.82,2.666,5,0.397,0.69,0.998,0.6343807826742512,0.5543828387362073,0.40668905489685425,0.4102443286957714,0.5014242512507711
EOS-3-28864,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nncs5)cc(F)c4Cl)n23)cn1,CDOHWBHMPKVMPK-UHFFFAOYSA-N,3,1,0.467,4,772,453.89,4.385,5,0.39,0.72,1.0,0.7579586731546843,0.8353180042491947,0.7042354876293606,0.7001918991158934,0.7494260160372833
EOS-3-28865,Cn1cc(-c2cnc(-c3nnc4cncc(-c5ccnc(-c6ncccn6)n5)n34)cn2)cn1,UMSYKWNQZLJTHF-UHFFFAOYSA-N,3,1,0.229,86,513,434.427,1.896,6,0.404,0.56,1.0,0.025203892810636695,0.011351175382084846,0.044402371324789254,0.04005894044273867,0.030254094990062368
EOS-3-28866,COc1cncc(CCOc2cncc3nnc(-c4cccc(-c5cc(=O)n(C)cn5)c4)n23)n1,WTKGQEAPFLDSPD-UHFFFAOYSA-N,3,1,0.451,15,846,456.466,1.972,5,0.362,0.68,1.0,0.3527259954766637,0.11342608457268179,0.13807312727023507,0.0847868549105613,0.17225301555753547
EOS-3-28867,Cn1nncc1-c1cnc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c(Cl)c1,BVOKZQLUBQMHFM-UHFFFAOYSA-N,3,1,0.478,46,128,454.281,3.263,5,0.398,0.62,0.939,0.24786683572064971,0.3910972517305188,0.34310533890754574,0.46081488588856145,0.3607210780618189
EOS-3-28868,COc1ccncc1-n1nnc(-c2cncc3nnc(-c4ccccc4OC(F)(F)F)n23)n1,VLHGYYNEKDOSPE-UHFFFAOYSA-N,3,1,0.424,50,542,455.36,2.736,5,0.394,0.63,0.998,0.16219758755397162,0.30419436639024056,0.6439671715441025,0.5277140017819204,0.4095182818175588
EOS-3-28869,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5C)n34)nc2C)n1,UVNKZZZGYQKLLX-UHFFFAOYSA-N,3,1,0.466,31,54,438.495,3.585,5,0.396,0.64,0.999,0.5350301555753547,0.3286615036666438,0.13808169419505176,0.10446508121444727,0.2765596086628744
EOS-3-28871,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cncc(F)c1,YVLAZHOPRIITTN-UHFFFAOYSA-N,3,1,0.473,95,493,416.42,2.742,5,0.42,0.75,1.0,0.4597097525872113,0.3143290384483586,0.32484922212322664,0.32734219724487695,0.35655755260091837
EOS-3-28872,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4csc(-c5ccncc5)n4)n23)cc1,JKMIACNWBPZRIH-UHFFFAOYSA-N,3,1,0.329,38,983,436.504,4.377,6,0.408,0.68,1.0,0.07681961483106024,0.09744020286477965,0.33233671441299434,0.3240439311904599,0.20766011582482352
EOS-3-28873,COc1cc(-c2cn(C)nn2)ccc1-c1nnc2cncc(-c3nnc(-c4ccccn4)[nH]3)n12,AGYDSGMFMHFEOM-UHFFFAOYSA-N,3,1,0.319,98,407,451.454,2.442,6,0.419,0.62,0.219,0.05637036529367418,0.05983996984442465,0.11180693578233157,0.09222294565142897,0.08006005414296484
EOS-3-28874,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)nn1,PLBSJQWRFDZDEP-UHFFFAOYSA-N,3,1,0.457,58,132,432.394,2.938,5,0.377,0.63,0.942,0.7285312864094304,0.6554725515728874,0.3431139058323624,0.3756082516619834,0.5256814988691659
EOS-3-28875,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccn1,FGQIMCKIIGUYOC-UHFFFAOYSA-N,3,1,0.511,75,624,450.865,3.396,5,0.391,0.62,1.0,0.7006973476800767,0.5836731546843945,0.5988708793091632,0.592300047974779,0.6188853574121034
EOS-3-28876,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cnc(-c5ccc(F)nc5Cl)cn4)n23)cc1,CVNMSIWLTNNSPO-UHFFFAOYSA-N,3,1,0.408,89,412,476.859,3.588,5,0.382,0.71,1.0,0.7465132615996162,0.5450962922349394,0.5434171749708725,0.44837571105475976,0.570850609965047
EOS-3-28877,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cnccn6)c5)n34)cc2)cc1,IUNCSHOVBKFAMF-UHFFFAOYSA-N,3,1,0.388,93,774,428.459,4.372,6,0.411,0.69,1.0,0.164998971969022,0.1598588170790213,0.5860804605578781,0.6339010348845179,0.3862098211226098
EOS-3-28878,Cn1nnnc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)cn1,NRHYTAYAEFADLV-UHFFFAOYSA-N,3,1,0.327,50,432,417.368,0.677,5,0.444,0.63,0.996,0.1237235282023165,0.16386813789322185,0.038559728599821805,0.042551915564389,0.09217582756493728
EOS-3-28879,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nc2)n1,FGZIPONDWQNBCD-UHFFFAOYSA-N,3,1,0.375,67,789,464.493,3.483,6,0.381,0.71,1.0,0.3527345624014804,0.1891062984031252,0.17224659036392298,0.11360598999383181,0.2069233602905901
EOS-3-28880,Cc1cc(-c2nccnc2-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)ncn1,DUYVFRRKELTRCM-UHFFFAOYSA-N,3,1,0.295,39,114,445.45,2.866,6,0.399,0.57,0.961,0.06329244054554177,0.026377561510520182,0.04954252621478994,0.06175896100335823,0.05024287231855253
EOS-3-28881,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5c[nH]cn5)cc4)n23)nn1,PNHNEUDBBCXOPA-UHFFFAOYSA-N,3,1,0.36,67,622,436.439,3.164,6,0.437,0.58,1.0,0.43881502295935854,0.2480553080666164,0.21270817627304503,0.17951990953327393,0.2697746042080735
EOS-3-28882,Cc1cc(-c2cnnc(COc3cncc4nnc(-c5cnc(C(F)F)cn5)n34)c2)nn1C,JGBWHJFJKBKLPQ-UHFFFAOYSA-N,3,1,0.378,92,105,450.413,2.597,5,0.384,0.63,1.0,0.32674251250771025,0.3042029333150572,0.29559317387430606,0.19330409156329245,0.2799606778150915
EOS-3-28883,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)nn2C)c1,QSHJXMOJCLXQGN-UHFFFAOYSA-N,3,1,0.446,95,570,450.424,4.497,5,0.369,0.78,1.0,0.5042577616338839,0.45926427249674456,0.9043931190459873,0.8810311150709341,0.6872365670618875
EOS-3-28884,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)cn1,ULQHXYZIOPBAOO-UHFFFAOYSA-N,3,1,0.253,94,165,461.449,2.566,6,0.374,0.62,0.979,0.23133267082448083,0.1039510657254472,0.14687992598176958,0.11361455691864848,0.14894455486258654
EOS-3-28885,COc1cc(Oc2cncc3nnc(-c4ccc(-c5cccc(C#N)n5)nc4F)n23)ccc1F,ODHTVCOUZUDANL-UHFFFAOYSA-N,3,1,0.447,13,374,457.4,4.199,5,0.361,0.73,0.998,0.8644798163251319,0.8053166335412241,0.8417174970872455,0.7639555205263519,0.8188673668699884
EOS-3-28886,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccn5)n4)n23)cc1,OKPQYKBUTKPNRU-UHFFFAOYSA-N,3,1,0.467,56,8,464.453,1.808,6,0.355,0.65,1.0,0.3505842642724967,0.2171629771777123,0.039947570420121994,0.036460832019738196,0.1610389109725173
EOS-3-28887,Cc1nnc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)s1,YWDXEKURFZMVCZ-UHFFFAOYSA-N,3,1,0.247,98,356,452.467,2.322,6,0.388,0.62,0.999,0.03639229662120485,0.052104036734973616,0.017742101295319033,0.03341957370982112,0.034914502090329654
EOS-3-28888,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(F)nc4F)n23)cc1,SJWYJWRMBIDBFD-UHFFFAOYSA-N,3,1,0.325,9,725,457.404,3.582,6,0.369,0.66,1.0,0.27673737235282025,0.32431807278459324,0.44302994996915906,0.4514855047632102,0.3738927249674457
EOS-3-28889,Clc1ccnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2)c1,CGVZSRRFZGHJEB-UHFFFAOYSA-N,3,1,0.291,30,195,450.893,4.754,6,0.385,0.73,0.99,0.010708656020834761,0.1104704955109314,0.6287009115208005,0.7141131519429785,0.3659983037488863
EOS-3-28890,CCc1nc(-c2nnc3cncc(Oc4ccc(C)nc4)n23)ccc1-c1cnc(C)nc1,LRPMHAWBRKPQLV-UHFFFAOYSA-N,3,1,0.344,82,690,424.468,4.01,5,0.417,0.71,1.0,0.37829826605441713,0.16772325406072236,0.21600644232746213,0.12513707079706668,0.22179125830991708
EOS-3-28891,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccc2F)nn1,XPXWITBNQPIIOP-UHFFFAOYSA-N,3,1,0.483,13,145,451.824,4.676,5,0.392,0.69,1.0,0.8372198615584949,0.8862826399835515,0.8589627167431979,0.8810396819957508,0.8658762250702488
EOS-3-28892,Fc1cccnc1-c1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ncn1,OENJAIIVFKXTLZ-UHFFFAOYSA-N,3,1,0.381,46,564,436.357,3.035,5,0.414,0.59,0.937,0.7553114933863341,0.5836817216092112,0.7089815639777945,0.7141217188677952,0.6905241244602838
EOS-3-28893,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(F)cn5)cn4)n23)nc1,KGHGNJBVQBVMJA-UHFFFAOYSA-N,3,1,0.376,51,48,419.355,2.29,5,0.423,0.62,1.0,0.6230981426906997,0.6024689877321636,0.3357977520389281,0.340209718319512,0.4753936501953259
EOS-3-28894,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5F)ccn4)n23)cc1F,TUBGDXWSJTXFPE-UHFFFAOYSA-N,3,1,0.588,11,503,448.408,4.287,5,0.361,0.74,1.0,0.9170893016242889,0.8318055650743609,0.9122746898773216,0.9036563635117538,0.8912064800219313
EOS-3-28895,Cc1n[nH]c(-c2cc(-c3nnc4cncc(OCCc5ccncn5)n34)cc(Cl)n2)n1,JDHOXVZAEVGLRM-UHFFFAOYSA-N,3,1,0.459,31,779,434.851,2.345,5,0.399,0.63,0.995,0.5636779521622918,0.6357857583441848,0.09622369954081283,0.10879994517168118,0.3511218388047426
EOS-3-28896,Cc1ncc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5nc(C)no5)n4)n23)cn1,UBJPKJVPGNLTLQ-UHFFFAOYSA-N,3,1,0.293,76,321,448.45,3.372,6,0.395,0.61,1.0,0.10005311493386335,0.09128915084641218,0.07335001028030978,0.06330957439517511,0.0820004626139401
EOS-3-28897,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4nc(Cl)ccc4F)n23)c1,BSAQGNQBVHPNEQ-UHFFFAOYSA-N,3,1,0.444,87,227,450.865,3.396,5,0.366,0.66,1.0,0.6708587485436228,0.612286683572065,0.5094493180727846,0.5277225687067371,0.5800793297238024
EOS-3-28898,Cc1nccc(-c2cccc(-c3nnc4cncc(COCc5ccc(Cl)nc5)n34)c2)n1,AIBHUGKIXSREHK-UHFFFAOYSA-N,3,1,0.45,14,351,443.898,4.322,5,0.361,0.73,1.0,0.39412137619080256,0.3435679528476458,0.6171955314920157,0.5890703173188953,0.4859887944623398
EOS-3-28899,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)ns1,LYVKTMVVLNTRHA-UHFFFAOYSA-N,3,1,0.5,65,131,434.46,3.169,5,0.401,0.66,1.0,0.529941402234254,0.545104859159756,0.20563189637447743,0.2164347885682955,0.37427823658419573
EOS-3-28900,c1cncc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nccs5)c4)n23)c1,IWVPFHVCPFDRPA-UHFFFAOYSA-N,3,1,0.267,64,365,434.488,4.434,6,0.405,0.71,1.0,0.06330100747035844,0.06744739908162566,0.27338770474950314,0.3370142553628949,0.18528759166609554
EOS-3-28901,FCc1cncc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)c1,PAOKQBOGPLDFSE-UHFFFAOYSA-N,3,1,0.482,97,560,446.873,4.95,5,0.367,0.79,1.0,0.72547289424988,0.6648790350215886,0.8515608937015968,0.8646939894455486,0.7766517031046535
EOS-3-28902,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5F)n34)cc2)c1,AENKJQUYJNQEKW-UHFFFAOYSA-N,3,1,0.568,43,178,436.397,4.188,5,0.387,0.69,1.0,0.9314988691659242,0.8456668494277294,0.9418648481940922,0.9181773010760057,0.9093019669659379
EOS-3-28903,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5nncs5)cn4)n23)cc1F,OGMYGIRNZPYHBH-UHFFFAOYSA-N,3,1,0.473,51,946,431.416,2.69,5,0.412,0.64,1.0,0.7465218285244328,0.8089147419642245,0.39203961346035227,0.3976595161400864,0.586283925022274
EOS-3-28904,Cc1nc(-c2ncc(F)cn2)cc(-c2nnc3cncc(OCCc4cncnn4)n23)n1,GJMXPCJOGVRHEL-UHFFFAOYSA-N,3,1,0.379,31,851,431.395,1.292,5,0.384,0.62,1.0,0.5893187581385786,0.3911058186553355,0.02212836680145295,0.024681310396819957,0.25680856349804676
EOS-3-28905,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)c2)nc1,NMAVBWBGAYXYAS-UHFFFAOYSA-N,3,1,0.481,2,491,469.267,4.063,5,0.38,0.72,1.0,0.8274364334178603,0.8053252004660407,0.7116887122198615,0.7831197313412378,0.7818925193612501
EOS-3-28906,Cc1cnnc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cc(F)cc5F)n34)c2)n1,SQQUOKGMTZBRMB-UHFFFAOYSA-N,3,1,0.418,46,223,450.384,3.343,5,0.402,0.61,1.0,0.6675176478651224,0.6074806387499143,0.6800938934959907,0.6714927009800562,0.656646220272771
EOS-3-28907,Fc1cccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c1F,HBLGDCNCDYRYMY-UHFFFAOYSA-N,3,1,0.379,13,284,436.809,4.972,5,0.37,0.81,1.0,0.6977845932424097,0.7759149475704201,0.9361935439654582,0.9451288465492427,0.8387554828318827
EOS-3-28908,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)cc1,BCNODIKNHOUKHM-UHFFFAOYSA-N,3,1,0.276,30,543,419.408,3.36,6,0.423,0.67,0.999,0.0929854019601124,0.04850592831197313,0.15010965663765335,0.21060071276814474,0.1255504249194709
EOS-3-28909,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4Cl)n23)ccn1,BBNOUZKWDFKFBS-UHFFFAOYSA-N,3,1,0.5,16,677,431.887,4.128,5,0.416,0.68,1.0,0.5141696936467686,0.5836902885340278,0.6663782468645055,0.6041224042217805,0.5920901583167706
EOS-3-28910,c1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ncccn5)n34)nn2)cc1,LKRZBKKSZFJLKO-UHFFFAOYSA-N,3,1,0.264,39,37,419.412,2.286,6,0.423,0.65,0.985,0.0005568501130834076,0.0017562195874169008,0.037077650606538275,0.06331814131999178,0.02567721540675759
EOS-3-28911,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cncnn5)cn4)n23)n1,CIEAUWYWUYVMJU-UHFFFAOYSA-N,3,1,0.222,86,953,434.427,1.989,6,0.405,0.58,0.049,0.001790487286683572,0.004257761633883901,0.04955109313960661,0.05439140566102392,0.0274976869302995
EOS-3-28912,Cc1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)nn2)nn1,NUDORROFHBBKQA-UHFFFAOYSA-N,3,1,0.269,86,953,434.427,1.989,6,0.405,0.58,1.0,0.004703241724350627,0.0038808169419505176,0.03187752724282092,0.04256048248920567,0.020755517099581934
EOS-3-28913,Cc1cnc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cn5)n34)cn2)cn1,PUPMYCGXLWNBJN-UHFFFAOYSA-N,3,1,0.291,86,780,449.442,1.599,6,0.386,0.59,1.0,0.05637893221849085,0.05984853676924131,0.02032074566513604,0.015034953053252005,0.03789579192653005
EOS-3-28914,FCCc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)cn1,LCLNPAHXQAPMRC-UHFFFAOYSA-N,3,1,0.494,97,91,445.433,3.873,5,0.351,0.7,1.0,0.6977931601672264,0.5836988554588445,0.5924114179973956,0.5542115002398739,0.6070287334658351
EOS-3-28915,Cn1nc(-c2nnc3cncc(OCCc4cccs4)n23)cc1-c1cnc(C2CC2)nc1,XQMDMPXIIMBVSE-UHFFFAOYSA-N,3,1,0.505,31,569,444.524,3.542,6,0.379,0.71,0.981,0.387430607908985,0.16773182098553904,0.014126859022685217,0.029375985196353916,0.14966631827839078
EOS-3-28916,Cc1n[nH]c(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccc2F)n1,PURNGEAQLCTOMQ-UHFFFAOYSA-N,3,1,0.516,37,563,450.865,3.694,5,0.42,0.64,1.0,0.9038105681584538,0.8888955520526352,0.4951425536289494,0.537625933794805,0.7063686519087109
EOS-3-28917,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)cn1,JMKMTXYEYSTHEX-UHFFFAOYSA-N,3,1,0.306,10,342,453.857,2.939,6,0.37,0.64,0.959,0.029881433760537316,0.17193818107052292,0.11181550270714824,0.2398053594681653,0.13836011925159344
EOS-3-28918,Clc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cc1Cl,SDIOJDWIBACEES-UHFFFAOYSA-N,3,1,0.398,65,658,466.292,3.362,5,0.371,0.64,1.0,0.5554622712631074,0.5086011925159345,0.3774415735727503,0.49129600438626553,0.4832002604345144
EOS-3-28919,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)o1,SOSFZTDZNHVHGY-UHFFFAOYSA-N,3,1,0.545,11,655,432.871,4.425,5,0.392,0.71,1.0,0.7672452196559523,0.7088787608799945,0.5367349736138716,0.5177763689945857,0.632658830786101
EOS-3-28920,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,JITVFACWTWCOKQ-UHFFFAOYSA-N,3,1,0.523,43,521,418.407,4.049,5,0.431,0.73,1.0,0.7402679734082653,0.5595486944006579,0.8988160509903365,0.8711705846069495,0.7674508258515522
EOS-3-28921,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5ccc(F)cc5Cl)n34)c2)cn1,IUSODIMDCAIIKS-UHFFFAOYSA-N,3,1,0.408,14,189,446.873,4.928,5,0.381,0.78,1.0,0.6231067096155164,0.6503837982317867,0.8691230895757659,0.8581574258104311,0.7501927558083751
EOS-3-28922,Cc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5c[nH]cn5)cc4)n23)n1,XZVPPRRZWSHLIE-UHFFFAOYSA-N,3,1,0.289,38,532,430.475,4.614,6,0.438,0.69,1.0,0.08806798711534508,0.0944503461037626,0.49865499280378317,0.47620108285929685,0.2893436022205469
EOS-3-28923,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cc1,GEDDIDDOMOJDBD-UHFFFAOYSA-N,3,1,0.35,74,139,408.425,2.67,5,0.487,0.86,1.0,0.14540641491330272,0.05985710369405798,0.38107394969501746,0.27524672743472,0.21539604893427453
EOS-3-28924,Fc1cccc(COc2ncc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)c1,LBVAWXQRNSPKOM-UHFFFAOYSA-N,3,1,0.4,82,478,449.396,4.299,5,0.382,0.69,1.0,0.5636865190871085,0.7088873278048112,0.8824103899664176,0.8223305462271263,0.7443286957713658
EOS-3-28925,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)ccc1-c1nccnn1,VVEUKAGRLWSPSW-UHFFFAOYSA-N,3,1,0.615,43,138,449.396,4.299,5,0.382,0.69,1.0,0.9722003289699129,0.9377784250565417,0.9297083818792407,0.9036649304365705,0.9358380165855664
EOS-3-28926,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6)[nH]5)n34)cc2)nc1,BIPHIDGKKFIRIG-UHFFFAOYSA-N,3,1,0.365,9,553,451.881,4.354,6,0.424,0.67,1.0,0.23966828867109863,0.26834178603248576,0.4066976218216709,0.5177849359194023,0.3581231581111644
EOS-3-28928,CCn1c(-c2cc(F)cnn2)nnc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,DQPQGFQSNWYILI-UHFFFAOYSA-N,3,1,0.306,8,42,467.472,3.066,6,0.38,0.64,1.0,0.18722157494345829,0.2027362757864437,0.05531663354122404,0.09827119457199644,0.1358864197107806
EOS-3-28929,Fc1cccc(-c2nnccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)n1,RPOCWJOXXDOCBV-UHFFFAOYSA-N,3,1,0.282,76,887,449.413,2.696,6,0.37,0.59,0.999,0.2796158590912206,0.2683503529573025,0.262456308683435,0.3179956822698924,0.28210455075046265
EOS-3-28930,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)cc1,DTWCZGXGPWPDHD-UHFFFAOYSA-N,3,1,0.477,71,415,467.518,3.684,6,0.365,0.69,1.0,0.38967514221095195,0.25291275443766703,0.21271674319786169,0.184985607566308,0.26007256185319716
EOS-3-28931,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4cccs4)n23)n1,CYDNOCZRYSHNDE-UHFFFAOYSA-N,3,1,0.516,44,531,450.474,4.518,5,0.379,0.72,0.995,0.8687804125830991,0.7459392776368995,0.605296072921664,0.6135888561441984,0.7084011548214653
EOS-3-28932,COc1ncc(F)cc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc1,HTUXLXBHMFBKOW-UHFFFAOYSA-N,3,1,0.309,82,204,482.479,3.35,6,0.391,0.82,0.997,0.4204903707765061,0.3243266397094099,0.1786460832019738,0.18769275580837502,0.2777889623740662
EOS-3-28933,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCc3ccc(C#N)cc3F)n12,LSZVADMMLGQGJM-UHFFFAOYSA-N,3,1,0.457,89,710,468.452,3.55,5,0.368,0.72,1.0,0.7727708861627031,0.694169350969776,0.6140257693098485,0.4791395380714139,0.6400263861284354
EOS-3-28934,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5n[nH]c(C)n5)c4)n23)cn1,FDOMCNSKQICGTF-UHFFFAOYSA-N,3,1,0.443,92,185,443.431,1.008,5,0.387,0.66,1.0,0.3983106024261531,0.24806387499143306,0.02213693372626962,0.006468028236584196,0.16874485984510998
EOS-3-28935,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ncccn5)nc(Cl)n4)n23)cn1,PULSQLLLQDQMIV-UHFFFAOYSA-N,3,1,0.4,7,535,432.835,2.369,5,0.381,0.62,1.0,0.4619971215132616,0.44614831060242616,0.05889760811459119,0.06035398533342472,0.25684925639092593
EOS-3-28937,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)cnn4)n23)c1F,XRVWATBLAAQSOT-UHFFFAOYSA-N,3,1,0.402,65,873,433.382,2.333,5,0.398,0.57,0.998,0.5693920910150092,0.4950825851552327,0.35838016585566446,0.3884929065862518,0.4528369371530395
EOS-3-28938,CCOc1ccc(F)cc1-c1nnc2cncc(-c3nnc(-c4ccc(Cl)nc4)[nH]3)n12,FJGYSTGUUBPSBD-UHFFFAOYSA-N,3,1,0.411,22,844,436.838,3.83,5,0.417,0.66,0.632,0.3551504351997807,0.5500394078541567,0.5501764786512233,0.6041309711465972,0.5148743232129395
EOS-3-28940,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cn4)n23)cc1,GYERLZNKKSKSPT-UHFFFAOYSA-N,3,1,0.303,38,42,420.44,3.039,6,0.466,0.6,1.0,0.1264649441436502,0.0747549859502433,0.3137293537111918,0.2931344664519224,0.20202093756425193
EOS-3-28941,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnn4C)n23)c(F)c1,CTZCWDWRBYDVAY-UHFFFAOYSA-N,3,1,0.506,26,460,418.436,2.686,5,0.421,0.69,1.0,0.4646014666575286,0.48122130080186415,0.37359502433006647,0.3118788979507916,0.4078241724350627
EOS-3-28942,Cn1cncc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)cn1,PVQCOMUXSOAXLZ-UHFFFAOYSA-N,3,1,0.385,80,812,450.466,3.175,6,0.393,0.64,1.0,0.3896837091357686,0.22262867521074636,0.2160150092522788,0.14999828661503667,0.24458142005345762
EOS-3-28943,Cc1ncnc(-c2ccc(F)cc2)c1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,HNOJRUSOYPHZQZ-UHFFFAOYSA-N,3,1,0.517,4,71,447.861,4.323,5,0.396,0.7,1.0,0.6581368651908711,0.7759235144952368,0.5924199849222124,0.659764580906038,0.6715612363785896
EOS-3-28944,Fc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)c1,RLTBTHNGFKKHEE-UHFFFAOYSA-N,3,1,0.679,84,884,448.408,4.287,5,0.386,0.7,1.0,0.9416249742992255,0.9233602905900897,0.9357137961757248,0.9317130422863409,0.9331030258378452
EOS-3-28945,N=c1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c(F)c2)c[nH]1,DNLIKMDTMXUOTI-UHFFFAOYSA-N,3,1,0.427,73,815,449.837,2.822,5,0.421,0.71,1.0,0.6343893495990679,0.7135049002809951,0.5860890274826948,0.5639435268316085,0.6244817010485916
EOS-3-28946,Cc1cc(-c2ccccn2)ccc1-c1cncc2nnc(-c3cccnc3-c3cncnc3)n12,MDBYBSGYXPXUEB-UHFFFAOYSA-N,3,1,0.293,32,299,442.486,4.681,6,0.391,0.71,1.0,0.08807655404016175,0.07808751970392708,0.5434257418956892,0.5376345007196217,0.3118060790898499
EOS-3-28947,Cc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6F)cc5)n34)n2)nc1,FBICZDTVAABJJT-UHFFFAOYSA-N,3,1,0.329,3,550,466.455,4.688,6,0.375,0.79,1.0,0.040804262901788776,0.3483140291960798,0.7274004523336303,0.7689843053937359,0.47137576245630863
EOS-3-28948,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5nc(C)cs5)n34)c2)cn1,ZGZWXSWOMDHDPE-UHFFFAOYSA-N,3,1,0.465,92,36,418.486,3.414,5,0.417,0.79,1.0,0.13994928380508534,0.159867384003838,0.09887944623397985,0.0617675279281749,0.11511591049276952
EOS-3-28949,COc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)cn6)n5)n34)cn2)cc1,LJLUTDGMIHWMMO-UHFFFAOYSA-N,3,1,0.375,10,952,466.44,3.039,6,0.377,0.66,0.999,0.08567781509149476,0.2992341169213899,0.2410818312658488,0.2694040847097526,0.22384946199712152
EOS-3-28950,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(Cl)c1,FXCDPKCYZXRQPY-UHFFFAOYSA-N,3,1,0.392,82,478,437.841,4.845,5,0.402,0.76,0.999,0.3116133232814749,0.437384346514975,0.902182852443287,0.8879788910972517,0.6347898533342471
EOS-3-28951,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2)c(F)n1,LVFDYSWCXVHXLV-UHFFFAOYSA-N,3,1,0.454,11,367,445.433,3.851,5,0.367,0.7,1.0,0.827445000342677,0.7227828798574464,0.634646357343568,0.595264203961346,0.6950346103762595
EOS-3-28952,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cn4)n23)cn1,ZAJPZYZLJWMXGA-UHFFFAOYSA-N,3,1,0.267,39,114,451.429,2.64,6,0.398,0.6,0.867,0.1622061544787883,0.22782023164964704,0.11788088547734905,0.17128709478445617,0.16979859159756014
EOS-3-28953,COc1nnc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ncc(F)cn1,ZDLADMCHEAMQJI-UHFFFAOYSA-N,3,1,0.392,65,116,446.406,1.597,5,0.36,0.63,0.999,0.6147796586937153,0.4592728394215612,0.041438215338222194,0.03342814063463779,0.28722971352203414
EOS-3-28954,COc1ncc(-c2nnc3cncc(OCc4ncc(-c5cc(F)ncn5)cn4)n23)nc1F,VXPHSVPONVGQIM-UHFFFAOYSA-N,3,1,0.351,51,48,450.369,1.694,5,0.349,0.65,0.661,0.6431618806113357,0.5311921732574875,0.13485196353916798,0.0982797614968131,0.35187144472620113
EOS-3-28955,CCc1cnc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(Cl)n4)n23)cn1,KAHGGVNQNOIDMB-UHFFFAOYSA-N,3,1,0.375,7,535,447.89,3.172,5,0.365,0.69,1.0,0.385057569734768,0.4329381125351244,0.10926255911178123,0.10240045233363032,0.257414673428826
EOS-3-28956,Cc1cc(Cl)nnc1Cn1cnc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)n1,UPPBYWKGCYEZAO-UHFFFAOYSA-N,3,1,0.305,33,432,447.85,1.344,5,0.42,0.54,0.167,0.1184548694400658,0.18468576519772462,0.014709409910218628,0.01563463779041875,0.08337117058460694
EOS-3-28957,Cc1nc(Cl)cc2cc(CCOc3cncc4nnc(-c5cnc(C#N)nc5)n34)ccc12,VLVUNICQAIDLFZ-UHFFFAOYSA-N,3,1,0.495,65,981,442.87,3.585,5,0.379,0.64,1.0,0.90040093208142,0.8889041189774518,0.5568329792337743,0.534687478582688,0.7202063772188336
EOS-3-28958,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)nn1,HYYAXMXMICPYKS-UHFFFAOYSA-N,3,1,0.512,16,256,444.886,3.888,5,0.402,0.62,1.0,0.6491415941333699,0.7717428551847029,0.4607634843396614,0.4546038653964773,0.5840629497635529
EOS-3-28959,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnc2F)cn1,GRPREWDPDZYCFC-UHFFFAOYSA-N,3,1,0.593,97,232,451.824,4.154,5,0.371,0.69,1.0,0.9595726817901447,0.9715835103831129,0.8575234733739977,0.8678637516277157,0.9141358542937428
EOS-3-28960,Fc1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1-c1ncccn1,UJKYIZCZINYMAN-UHFFFAOYSA-N,3,1,0.536,73,89,451.824,4.154,5,0.371,0.69,1.0,0.9633849633335618,0.9233688575149065,0.8515694606264136,0.854653553560414,0.8982442087588239
EOS-3-28961,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccc(F)nc1,GAOFQCZKVNZVKN-UHFFFAOYSA-N,3,1,0.454,95,235,450.865,3.396,5,0.366,0.67,0.994,0.48668699883489824,0.45928140634637793,0.43956891234322526,0.49444863271879924,0.46999648756082524
EOS-3-28962,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncnc5)n34)c2)c(F)c1,GDTAUTKKIZQLTL-UHFFFAOYSA-N,3,1,0.455,46,160,417.379,3.501,5,0.432,0.69,1.0,0.7465303954492495,0.6307227057775341,0.8033462408333905,0.8035175793297238,0.7460292303474745
EOS-3-28963,COc1cc(COc2cncc3nnc(-c4cc(-c5ccc(C)nn5)ncn4)n23)ccn1,QIXXACAPILWNKL-UHFFFAOYSA-N,3,1,0.371,53,395,427.428,2.329,5,0.398,0.62,0.999,0.40692892879172093,0.1446182578301693,0.15316804879720375,0.07609999314646014,0.19520380714138852
EOS-3-28964,COc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncccn1,MXHHPUOCMRZNCF-UHFFFAOYSA-N,3,1,0.461,49,896,426.44,2.668,5,0.387,0.65,1.0,0.5720221369337263,0.24807244191624975,0.11788945240216572,0.07408676581454321,0.2530176992666713
EOS-3-28965,Cc1nc(-c2ncccn2)cc(-c2nnc3cncc(OCCc4ncccc4F)n23)n1,FZRIZCZECAUCGZ-UHFFFAOYSA-N,3,1,0.421,18,330,429.419,2.502,5,0.401,0.6,1.0,0.6431704475361524,0.47238023439106297,0.08198547049551093,0.08833356178466177,0.321467428551847
EOS-3-28966,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)ncc1F,SPRJQYMVEUWYCU-UHFFFAOYSA-N,3,1,0.49,65,65,429.419,2.502,5,0.401,0.6,1.0,0.7160749777259955,0.6453121787403193,0.1851740799122747,0.17129566170927285,0.4294642245219656
EOS-3-28967,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ccccn1,UCNALWZJKZPCNU-UHFFFAOYSA-N,3,1,0.516,11,777,442.454,4.018,5,0.376,0.66,1.0,0.9115893358919882,0.7966983071756563,0.6963624837228428,0.598125556850113,0.7506939209101501
EOS-3-28968,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cncnc4-c4cccnn4)n23)n1,PXYLWGXHPVWZLB-UHFFFAOYSA-N,3,1,0.239,99,601,435.415,1.291,6,0.394,0.59,0.254,0.045224796107189366,0.01633712562538551,0.014717976835035295,0.019172777739702555,0.023863169076828183
EOS-3-28969,Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)n1,OXHXUAAOEHTJIP-UHFFFAOYSA-N,3,1,0.467,92,45,417.408,2.403,5,0.429,0.7,1.0,0.4297426495785073,0.4461568775272428,0.18178157768487424,0.14747961071893634,0.3012901788773902
EOS-3-28970,Cn1cc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cncnc5F)nn4)n23)cn1,BATXBAGUBMEEMV-UHFFFAOYSA-N,3,1,0.219,86,953,441.394,1.159,6,0.366,0.61,0.982,0.0026300459187170175,0.0485144952367898,0.04770920430402303,0.06332670824480845,0.04054511342608458
EOS-3-28971,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6F)nc5)n34)nc2)cn1,IVQMVWBJIAIGAP-UHFFFAOYSA-N,3,1,0.408,94,106,461.464,4.215,6,0.384,0.66,1.0,0.25823281474881776,0.38640257693098484,0.4679082996367624,0.47020423548762935,0.39568698170104855
EOS-3-28972,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnccn5)n4)n23)c(Cl)c1,GSMCOPABMMOMKD-UHFFFAOYSA-N,3,1,0.333,85,81,448.317,4.849,5,0.391,0.72,1.0,0.33669727914467823,0.39566342265780274,0.6552926461517373,0.7639640874511685,0.5379043588513467
EOS-3-28973,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccccc1,OFFOUKAJYDGJCT-UHFFFAOYSA-N,3,1,0.558,91,955,441.466,4.623,5,0.367,0.73,1.0,0.9416335412240422,0.8423171818244123,0.8189209101500925,0.7535724076485505,0.8391110102117744
EOS-3-28974,Cc1cc(F)c(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)c2)nn1,YGPOWLVRTQKMAA-UHFFFAOYSA-N,3,1,0.293,10,693,468.431,3.682,6,0.416,0.63,1.0,0.23967685559591528,0.3674782400109657,0.5231820985539031,0.5410612706462888,0.4178496162017682
EOS-3-28975,Cc1scnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cn1,FPJIQBWFGDCHRB-UHFFFAOYSA-N,3,1,0.293,94,165,449.503,4.137,6,0.395,0.66,0.994,0.08133438420944418,0.14837913782468645,0.2733962716743198,0.26656843259543556,0.19241955657597148
EOS-3-28976,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4)n23)nn1,QGEUYXJQPCZESE-UHFFFAOYSA-N,3,1,0.374,67,622,451.454,2.57,6,0.388,0.6,1.0,0.28506442327462134,0.19349256390925912,0.11182406963196491,0.08479542183537797,0.16879411966280583
EOS-3-28977,O=c1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)ccn2)c[nH]1,FGOYAKULJFQZRB-UHFFFAOYSA-N,3,1,0.578,24,912,415.388,2.655,5,0.47,0.74,1.0,0.6948204372558426,0.49509115208004933,0.5891645534918786,0.5766397094099103,0.5889289630594202
EOS-3-28978,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cc5F)n34)nc2)cn1,ZOYDERPUOGINJF-UHFFFAOYSA-N,3,1,0.406,18,814,466.839,3.591,5,0.374,0.66,0.998,0.792551915564389,0.8283273935987938,0.5829535329997944,0.6250514015489,0.7072210609279692
EOS-3-28979,Fc1cc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)ccn1,XLZPFQAYQSGYRS-UHFFFAOYSA-N,3,1,0.633,35,352,446.873,4.662,5,0.353,0.75,1.0,0.7869491467342883,0.8917055033925022,0.8746830237817833,0.8810482489205674,0.8585964807072853
EOS-3-28980,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,TUVAIERRBAZNFY-UHFFFAOYSA-N,3,1,0.433,18,207,426.44,2.152,5,0.417,0.64,1.0,0.3783068329792338,0.2278287985744637,0.2991570145980399,0.2514392433692002,0.2891829723802344
EOS-3-28982,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)c(F)n4)n23)n(C)n1,ZSWGXUKALMISAV-UHFFFAOYSA-N,3,1,0.365,31,662,435.398,2.542,5,0.388,0.63,0.574,0.35515900212459733,0.34832259612089644,0.27340483859913645,0.22808580631896375,0.3012430607908985
EOS-3-28983,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(C)nn5)cc(Cl)n4)n23)cc1C,STDWBIDDJXDMKZ-UHFFFAOYSA-N,3,1,0.341,74,333,471.912,3.335,5,0.396,0.64,1.0,0.1593790692892879,0.1677403879103557,0.20917003632376122,0.16588136522513877,0.1755427146871359
EOS-3-28984,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cc1,AFPIIXOSQHPTEH-UHFFFAOYSA-N,3,1,0.325,94,515,465.427,4.046,6,0.384,0.67,0.964,0.3367058460694949,0.42834624083339046,0.5129017887739017,0.5952727708861627,0.4683066616407375
EOS-3-28985,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)cc(C)n2)ncn1,NQYVOTSKLSLVPP-UHFFFAOYSA-N,3,1,0.372,24,43,430.859,4.101,5,0.419,0.67,1.0,0.5322630388595709,0.5312007401823041,0.36953430196696596,0.3305290932766774,0.4408817935713796
EOS-3-28986,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cnccn6)o5)n34)cn2)cn1,UOWIXUHFCVEYHH-UHFFFAOYSA-N,3,1,0.427,80,277,451.41,2.062,6,0.364,0.61,1.0,0.31916078404495923,0.31433760537317523,0.053260571585223765,0.047752038928106366,0.18362774998286618
EOS-3-28987,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cnsc1,JBVHHBCTFJJBFX-UHFFFAOYSA-N,3,1,0.467,95,569,438.904,3.318,5,0.401,0.65,0.964,0.33429854019601124,0.27858782811322047,0.2266037283256802,0.28423343156740455,0.28093088205057914
EOS-3-28988,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)n[nH]1,PJCZJCSPAWYWAF-UHFFFAOYSA-N,3,1,0.505,65,981,417.408,2.435,5,0.447,0.7,1.0,0.7071568089918443,0.7088958947296279,0.1916935096977589,0.1795284764580906,0.4468186724693305
EOS-3-28989,Cn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3ccc(-c4ccsc4)cn3)n12,PGCCJRQEYNENIV-UHFFFAOYSA-N,3,1,0.289,8,934,455.482,3.911,6,0.372,0.71,0.923,0.08333047769172777,0.23247207182509766,0.1786546501267905,0.2752552943595367,0.19242812350078814
EOS-3-28990,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4Cl)n23)cc1,SUNUJAGULDAPCC-UHFFFAOYSA-N,3,1,0.531,16,19,452.305,4.473,5,0.366,0.73,1.0,0.8666044136796656,0.722791446782263,0.7566822013570009,0.7737132478925365,0.7799478274278665
EOS-3-28991,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)cnn4)n23)nc1Cl,SHKPEZLSRQLKGN-UHFFFAOYSA-N,3,1,0.418,53,785,449.837,2.847,5,0.36,0.64,0.777,0.6202367898019328,0.6258823932561168,0.34696045507504625,0.4198135837159893,0.5032233054622712
EOS-3-28992,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cn2)c1,QDMCUVLEDUUICU-UHFFFAOYSA-N,3,1,0.306,70,392,434.488,4.434,6,0.405,0.68,0.998,0.12944623397985058,0.13350695634295112,0.4319015146323076,0.45775649372901106,0.2881527996710301
EOS-3-28993,c1cncc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cscn5)nc4)n23)c1,PAQUPHGWRDNEKS-UHFFFAOYSA-N,3,1,0.303,32,191,434.488,4.434,6,0.405,0.68,0.999,0.09299396888492907,0.15620074018230415,0.3695428688917826,0.4007436090740868,0.25487029675827566
EOS-3-28994,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)nc1,YORTZYAFMHUCEX-UHFFFAOYSA-N,3,1,0.483,2,422,417.379,3.501,5,0.404,0.76,1.0,0.7981632513193064,0.6453207456651361,0.7884911932012885,0.7613426084572682,0.7483294496607498
EOS-3-28995,COc1cnc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c(F)c1,XUWSMXSEZPECKG-UHFFFAOYSA-N,3,1,0.512,97,744,418.388,3.568,5,0.413,0.73,1.0,0.7925604824892056,0.684343088205058,0.64978411349462,0.517793502844219,0.6611202967582755
EOS-3-28996,Cn1cncc1-c1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,NLTPMNBHRKZXPU-UHFFFAOYSA-N,3,1,0.667,84,360,451.412,3.626,5,0.392,0.63,1.0,0.8865310808032348,0.7501713384963333,0.8189294770749092,0.7947107806181893,0.8125856692481667
EOS-3-28997,Cc1ccc(-c2cc(F)c(Cl)c(COc3cncc4nnc(-c5cncn5C)n34)c2)nc1,AFXXHZPCUJVDHF-UHFFFAOYSA-N,3,1,0.409,46,348,449.877,4.267,5,0.398,0.66,1.0,0.42049893770132274,0.3383592625591118,0.7752724282091701,0.7459307107120828,0.5700153347954219
EOS-3-28998,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(OCc5cccc(F)c5F)ncn4)n23)c(F)c1,RLKFQSIXLSJLSH-UHFFFAOYSA-N,3,1,0.388,45,140,477.406,3.344,5,0.398,0.69,0.986,0.5720307038585429,0.5268487423754369,0.8464207388115962,0.7853642656432047,0.6826661126721951
EOS-3-28999,Cc1cc(-c2cnn(C)c2)c(-c2nnc3cncc(Cc4cnc(CF)nc4)n23)cc1F,PWAMYDZFNDCQSS-UHFFFAOYSA-N,3,1,0.295,85,976,432.438,3.49,5,0.423,0.61,1.0,0.19548865739154273,0.22263724213556302,0.5231906654787197,0.4639675142210952,0.3513210198067302
EOS-3-29000,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)c1,SMYKINRHQFMSBL-UHFFFAOYSA-N,3,1,0.457,18,481,432.394,2.938,5,0.403,0.6,0.975,0.6917192104722089,0.5933709135768624,0.5860975944075115,0.5890788842437119,0.6150666506750737
EOS-3-29001,C#Cc1cnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5csc(C)n5)c4)n23)cn1,JDPCSKNWIDZTAF-UHFFFAOYSA-N,3,1,0.5,20,661,457.494,3.755,5,0.359,0.73,1.0,0.7579672400795011,0.7967068741004729,0.42472243163594,0.372447056404633,0.5879609005551367
EOS-3-29002,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)nn1,BCENURQIGAPIPC-UHFFFAOYSA-N,3,1,0.262,99,813,452.417,2.035,6,0.365,0.61,0.885,0.10006168185868,0.20741381673634432,0.09402199986292921,0.15000685353985332,0.13787608799945172
EOS-3-29003,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(CF)c5)n34)cc2F)n[nH]1,BHJBBIYGOYEOPW-UHFFFAOYSA-N,3,1,0.467,97,214,447.405,3.124,5,0.426,0.62,1.0,0.7495545199095333,0.5222226029744363,0.7451939551778494,0.6973648139263929,0.678583972997053
EOS-3-29004,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)n1,WBIYYTQEBFCSOB-UHFFFAOYSA-N,3,1,0.414,18,531,446.421,3.246,5,0.392,0.6,0.967,0.6736772668083065,0.5043005962579672,0.36573058734836544,0.385108971283668,0.4822043554245768
EOS-3-29005,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)nn5)ccn4)n23)cn1,VSIDXZIWGLTIGV-UHFFFAOYSA-N,3,1,0.478,55,390,452.265,3.319,5,0.37,0.64,1.0,0.5322716057843876,0.7675536289493523,0.43191008155712424,0.4913045713110822,0.5557599719004865
EOS-3-29006,CCn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC)c(C)c5)n34)nc2)n1,CLSHDNZVDQCVTD-UHFFFAOYSA-N,3,1,0.414,92,943,470.497,2.107,5,0.379,0.67,1.0,0.3038688232472072,0.13715646631485162,0.038568295524638474,0.010725789870468096,0.12257984373929134
EOS-3-29007,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccnc(F)c5F)nn4)n23)cc1,VBHRTXOFYZIQBR-UHFFFAOYSA-N,3,1,0.302,98,882,457.408,2.508,6,0.371,0.62,1.0,0.014683709135768625,0.1335155232677678,0.3284730313206771,0.3628606675347817,0.2098832328147488
EOS-3-29008,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ccn2)n(C)n1,VXEYHNDXPPHCDI-UHFFFAOYSA-N,3,1,0.612,36,32,416.42,3.008,5,0.435,0.72,1.0,0.7344338976081146,0.6453293125899527,0.24450860119251594,0.2545747378521006,0.469711637310671
EOS-3-29009,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)nn2C)nn1,AQTKESPKULCYJN-UHFFFAOYSA-N,3,1,0.563,95,381,448.437,3.19,5,0.394,0.64,1.0,0.46461003358234526,0.4008549790967034,0.45389281063669384,0.43853231444040847,0.4394725344390377
EOS-3-29010,Fc1ccccc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cn4)c3)n12,UVJNKGDMATWCAI-UHFFFAOYSA-N,3,1,0.76,11,583,446.873,4.662,5,0.377,0.73,1.0,0.9185628126927559,0.9140137756151052,0.807406963196491,0.8363460352271949,0.8690823966828867
EOS-3-29011,CCn1ncnc1-c1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)ccn1,YKKSOKOSKNOCKY-UHFFFAOYSA-N,3,1,0.449,31,359,448.878,2.53,5,0.369,0.63,0.997,0.36670721677746554,0.33836782948392846,0.023233500102803097,0.04006750736755534,0.1920940134329381
EOS-3-29012,Cc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)n2)cn1,ORLLEZWHPIALNR-UHFFFAOYSA-N,3,1,0.345,32,20,460.476,4.82,6,0.372,0.77,1.0,0.23702967582756493,0.3771588650538003,0.6689740250839559,0.6773439106298403,0.4901266191487904
EOS-3-29013,Cc1cnc(-c2cc(Cl)nc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,SMEGFBLQAAMBDM-UHFFFAOYSA-N,3,1,0.402,65,116,445.874,3.017,5,0.363,0.63,0.997,0.5803406209307107,0.5933794805016791,0.1380902611198684,0.15266260023302036,0.3661182406963197
EOS-3-29014,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccc(F)nn5)n4)n23)c1,LXDSJKUACUODBC-UHFFFAOYSA-N,3,1,0.315,39,972,455.392,2.564,6,0.394,0.57,0.695,0.020038037146186006,0.12323521348776643,0.162574532245905,0.2869148790350216,0.14819066547871979
EOS-3-29015,COc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cnn(C)c4)cc3F)n12,FZHTXPISBAUWJV-UHFFFAOYSA-N,3,1,0.478,43,623,464.888,4.572,5,0.366,0.8,1.0,0.6581454321156878,0.732052292509081,0.8784182030018505,0.8283188266739772,0.7742336885751491
EOS-3-29016,Cc1c(Cl)ncnc1-c1cccc(COc2cncc3nnc(-c4ccc(F)cc4)n23)c1,CVYYTHUPEZFHLY-UHFFFAOYSA-N,3,1,0.617,43,709,446.873,4.928,5,0.356,0.83,1.0,0.9738880131587965,0.9458142005345761,0.8302463847577274,0.8344184771434446,0.8960917688986362
EOS-3-29017,CC(C)(C)c1cnc(Cc2cncc3nnc(-c4nccnc4-c4ccc(F)cn4)n23)cn1,ZDBAUPJCQMNOFC-UHFFFAOYSA-N,3,1,0.316,85,674,441.474,3.461,5,0.417,0.65,0.526,0.31162189020629155,0.3196062641354259,0.1817901446096909,0.10240901925844699,0.22885682955246386
EOS-3-29018,Cn1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)c1,WWLPMVGOCPKDRT-UHFFFAOYSA-N,3,1,0.5,13,145,420.835,4.777,5,0.418,0.81,1.0,0.617700980056199,0.6698392844904393,0.8797546432732506,0.8810568158453841,0.7620879309163182
EOS-3-29019,COc1nc(-c2nnc3cncc(OCCc4cnc(C)nc4)n23)ccc1-c1ncccc1F,IPSAUHROTPPORB-UHFFFAOYSA-N,3,1,0.433,49,501,458.457,3.116,5,0.363,0.66,0.991,0.7160835446508121,0.5131159618943184,0.2091786032485779,0.14259646357343567,0.395243643341786
EOS-3-29020,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5F)n4)n23)cc1F,IJTIKBKCNMUIEG-UHFFFAOYSA-N,3,1,0.315,22,681,474.41,3.252,6,0.386,0.66,0.967,0.07301590021245974,0.3286700705914605,0.55018504557604,0.6339096018093345,0.39644515454732365
EOS-3-29021,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)c1F,YVPWHRULZOAWPN-UHFFFAOYSA-N,3,1,0.518,73,665,451.824,4.154,5,0.396,0.66,1.0,0.930368035090124,0.8808683434994174,0.8245236789801933,0.842351449523679,0.8695278767733535
EOS-3-29022,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cc1F,BXRYWWRAHPIVCY-UHFFFAOYSA-N,3,1,0.466,59,511,451.824,4.154,5,0.396,0.65,1.0,0.7465389623740663,0.7366527311356316,0.8892467959701186,0.9137824686450552,0.8215552395312179
EOS-3-29023,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)ncc1Cl,GIKFQTHIXZHFQI-UHFFFAOYSA-N,3,1,0.554,73,469,451.824,4.154,5,0.396,0.65,1.0,0.8865396477280515,0.9057809608662875,0.8417260640120622,0.8496419025426633,0.8709221437872662
EOS-3-29024,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)nc1,UPBTYTDHTQCUII-UHFFFAOYSA-N,3,1,0.443,65,773,416.42,2.742,5,0.42,0.72,1.0,0.7160921115756288,0.554391405661024,0.3248577890480433,0.2931430333767391,0.47212108491535876
EOS-3-29025,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)c(F)c1,DHPULGFECBRDIU-UHFFFAOYSA-N,3,1,0.512,20,846,416.42,2.742,5,0.42,0.72,1.0,0.6090312521417311,0.5543999725858406,0.384749160441368,0.3464807072853129,0.47366527311356316
EOS-3-29026,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nn1,CUUWQKCKZOQCNV-UHFFFAOYSA-N,3,1,0.396,53,706,421.371,3.107,5,0.426,0.69,0.995,0.5042663285587006,0.4723888013158796,0.5022873689260503,0.38511753820848466,0.4660150092522788
EOS-3-29027,Fc1ccnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1,LTEXVQLWKMQTDN-UHFFFAOYSA-N,3,1,0.535,27,676,449.396,4.299,5,0.382,0.7,1.0,0.8194263587142759,0.8456754163525461,0.9065434171749709,0.876884723459667,0.8621324789253649
EOS-3-29028,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)ccc1-c1cnccn1,JZXVQAMIPUTBSD-UHFFFAOYSA-N,3,1,0.346,42,171,446.449,4.511,6,0.393,0.67,1.0,0.36671578370228225,0.44146220272770886,0.8117675279281749,0.8121616064697417,0.608026780206977
EOS-3-29029,OCc1cncc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)c2)n1,RVYUQBBWAZMFFN-UHFFFAOYSA-N,3,1,0.257,86,967,460.461,2.655,6,0.408,0.61,0.647,0.16221472140360496,0.10066993352066342,0.20918717017339455,0.23097285998218078,0.17576117126996094
EOS-3-29030,Fc1cnc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nc1,FBZUOCNBBWHNNU-UHFFFAOYSA-N,3,1,0.443,46,775,439.863,4.076,5,0.407,0.68,1.0,0.697801727092043,0.7844904393119047,0.4745305325200466,0.5475978342814063,0.6261051333013501
EOS-3-29031,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccncn6)nc5)n34)nc2)c(Cl)n1,IUTOBFSHLXGEFW-UHFFFAOYSA-N,3,1,0.295,86,780,467.884,3.154,6,0.384,0.65,1.0,0.139957850729902,0.1846943321225413,0.24821807963813308,0.2752638612843534,0.21203353094373245
EOS-3-29032,CCc1cc(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)ccn1,XXHFWRUVEINVCV-UHFFFAOYSA-N,3,1,0.472,72,386,433.472,3.985,5,0.4,0.71,1.0,0.5042748954835172,0.5731444040847098,0.4986635597285998,0.44511171269960936,0.5052986429991091
EOS-3-29033,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)cc2)cnn1,WYAMWYUNCNBVEG-UHFFFAOYSA-N,3,1,0.319,42,762,419.408,3.36,6,0.423,0.69,1.0,0.19023713247892537,0.13352409019258446,0.3920481803851689,0.40075217599890345,0.27914039476389557
EOS-3-29034,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5cc(C(F)F)ccn5)c4)n23)cn1,DFZBEKAZJPDGKO-UHFFFAOYSA-N,3,1,0.394,2,995,435.369,4.512,5,0.375,0.75,1.0,0.7254814611746967,0.7844990062367213,0.9343859228291412,0.9036734973613871,0.8370099719004866
EOS-3-29035,Fc1cnc(Cl)nc1COc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,YWMFVNJAKZDPOT-UHFFFAOYSA-N,3,1,0.472,75,420,435.81,2.805,5,0.384,0.66,1.0,0.7344424645329313,0.6843516551298746,0.2734134055239531,0.29922554999657325,0.4978582687958331
EOS-3-29036,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ncn2)cn1,WKMQQVFQZSRTGH-UHFFFAOYSA-N,3,1,0.624,27,996,462.42,3.527,5,0.358,0.67,1.0,0.7316325131930642,0.780095606880954,0.7142073881159618,0.5830906037968611,0.7022565279967103
EOS-3-29037,N#Cc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(F)c5F)cs4)n23)cc1,HBUZEKKVLKZOCH-UHFFFAOYSA-N,3,1,0.552,1,347,446.442,4.644,5,0.391,0.81,1.0,0.8939843053937359,0.9120690836817216,0.8797632101980672,0.882478925364951,0.8920738811596189
EOS-3-29038,Cn1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cnn2)n1,XHXLGQDMSUNGNY-UHFFFAOYSA-N,3,1,0.279,70,719,439.468,2.562,6,0.407,0.58,0.806,0.06330957439517511,0.08165136042766089,0.09403056678774586,0.1002501542046467,0.08481041395380715
EOS-3-29039,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)nc2)cn1C,YFDDJTWVJKRZRO-UHFFFAOYSA-N,3,1,0.283,10,37,452.457,3.282,6,0.404,0.62,0.493,0.01387841820300185,0.13353265711740114,0.2659173463093688,0.2811664724830375,0.17362372352820232
EOS-3-29040,Fc1cccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)n2)n1,LTPAQSNLHIZLSJ-UHFFFAOYSA-N,3,1,0.267,94,165,448.425,3.301,6,0.374,0.63,0.625,0.2176941265163457,0.3042115002398739,0.3431224727571791,0.37245562332944965,0.3093709307107121
EOS-3-29041,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)ccn1,VVNHEYNLDJQOCW-UHFFFAOYSA-N,3,1,0.547,11,384,430.418,4.148,5,0.377,0.71,1.0,0.7813892125282709,0.7366612980604482,0.8208056336097594,0.8283273935987938,0.791795884449318
EOS-3-29042,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nccs5)nn4)n23)cc1,NUTBFPKEQYMROV-UHFFFAOYSA-N,3,1,0.315,30,541,435.476,3.829,6,0.411,0.64,0.675,0.07490062367212666,0.1483877047495031,0.1439757384689192,0.21060927969296142,0.1444683366458776
EOS-3-29043,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1Cl,OAGDFFCKNVVKMX-UHFFFAOYSA-N,3,1,0.53,16,353,452.305,4.473,5,0.391,0.68,1.0,0.7672537865807689,0.7041926530052772,0.7476440956754163,0.7876859022685216,0.751694109382496
EOS-3-29044,COc1cc(-c2nnc3cncc(OCc4cccc(C#N)n4)n23)ccc1-c1nccs1,CPSXSJPXWGLJGB-UHFFFAOYSA-N,3,1,0.522,1,61,441.476,3.769,5,0.391,0.72,1.0,0.5067764375299842,0.48562470015763143,0.48164108011788087,0.3370228222877116,0.45276626002330206
EOS-3-29045,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1Cl,IASFBOLIRRAZAO-UHFFFAOYSA-N,3,1,0.518,16,610,453.293,3.868,5,0.373,0.67,1.0,0.6287523130697005,0.6745596600644232,0.6020663422657803,0.6627972722911384,0.6420438969227606
EOS-3-29046,Cc1nc(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ccn4)n23)ccc1F,DDZJNUSIOPCJIT-UHFFFAOYSA-N,3,1,0.44,46,160,431.406,3.809,5,0.391,0.69,1.0,0.5720392707833596,0.5131245288191351,0.7089901309026112,0.6597731478308546,0.61348176958399
EOS-3-29047,Cn1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5)n34)c2)n1,WMMBFLXVYLOLPT-UHFFFAOYSA-N,3,1,0.354,42,693,448.465,4.455,6,0.396,0.68,1.0,0.137456308683435,0.29924268384620656,0.7195788499760126,0.7194332122541293,0.4689277636899458
EOS-3-29048,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)o1,SZALQCRDQQOJKL-UHFFFAOYSA-N,3,1,0.5,11,655,450.861,4.564,5,0.374,0.74,1.0,0.8167877458707422,0.7320608594338976,0.6637310670961551,0.6568346926187376,0.7173535912548832
EOS-3-29049,Cc1ccc(-c2nnc3cncc(C(F)Cc4cc(-c5cnccn5)ccc4F)n23)cn1,PSWBSCZKSFMDHF-UHFFFAOYSA-N,3,1,0.378,14,81,429.434,4.344,5,0.413,0.65,1.0,0.3267510794325269,0.47687786991981357,0.8746915907066,0.8204458227674594,0.6246915907066
EOS-3-29050,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)nc1,AYNYRGWUMFXZQN-UHFFFAOYSA-N,3,1,0.318,10,871,465.452,3.644,6,0.38,0.69,0.78,0.10763484339661435,0.2480810088410664,0.377450140497567,0.3628692344595984,0.27400880679871154
EOS-3-29051,Cc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nccn1C,PPJDEKRYQLRQAD-UHFFFAOYSA-N,3,1,0.436,31,578,430.447,3.051,5,0.382,0.66,1.0,0.6615465012679048,0.495099719004866,0.26592591323418546,0.2164433554931122,0.40975387225001714
EOS-3-29052,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)c5)n34)nc2)cc1Cl,ALBOWKVUNNQDDS-UHFFFAOYSA-N,3,1,0.366,42,151,469.871,4.289,6,0.379,0.73,1.0,0.013175930368035091,0.1719467479953396,0.727409019258447,0.7853728325680214,0.42447613254746075
EOS-3-29054,Cc1c(F)cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)c(F)c1,AMBFDTWEEFEOTL-UHFFFAOYSA-N,3,1,0.341,96,336,459.46,4.124,5,0.431,0.63,0.926,0.4069374957165376,0.504309163182784,0.8432252758549791,0.7114659721746281,0.6164844767322322
EOS-3-29055,c1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)n2)cc1,NJBWLBGGGICWOI-UHFFFAOYSA-N,3,1,0.342,42,136,434.488,4.434,6,0.405,0.69,0.998,0.13996641765471865,0.15987595092865464,0.2734219724487698,0.33053766020149405,0.2259505003084093
EOS-3-29056,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)nc1,BDHNGVABOHSYQG-UHFFFAOYSA-N,3,1,0.383,63,568,407.825,1.508,5,0.528,0.79,1.0,0.0880851209649784,0.12688472345966692,0.011445411555068192,0.028553560413953807,0.06374220409841684
EOS-3-29057,c1cc(-c2cncs2)cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)c1,LSVJNZBNOYTYPE-UHFFFAOYSA-N,3,1,0.278,42,171,434.488,4.434,6,0.405,0.69,1.0,0.07490919059694331,0.13716503323966828,0.5332396682886711,0.5410698375711055,0.321595932424097
EOS-3-29058,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5cccs5)ns4)n23)cc1,FCSVUJJIXOCKSS-UHFFFAOYSA-N,3,1,0.327,74,333,463.523,4.228,6,0.392,0.7,1.0,0.15684325954355424,0.16774895483517235,0.06088513467205812,0.13356692481666782,0.12976106846686314
EOS-3-29059,COc1cc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)ccc1-c1nccn1C,DQEGASWOLDLJND-UHFFFAOYSA-N,3,1,0.453,36,375,450.89,3.166,5,0.392,0.65,1.0,0.4090706599958879,0.45498937701322734,0.29916558152285655,0.207525186758961,0.34268770132273313
EOS-3-29060,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2F)n(C)n1,HSCAOVKXQZZZOM-UHFFFAOYSA-N,3,1,0.571,37,619,435.488,3.717,5,0.404,0.64,1.0,0.6260108971283668,0.6215646631485162,0.2445171681173326,0.23981392639298196,0.4329766636967994
EOS-3-29061,Cc1csc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(C)n2)n1,BPOQSZGQEBUAAW-UHFFFAOYSA-N,3,1,0.494,20,658,430.497,3.338,5,0.404,0.68,0.993,0.4045644575423206,0.37716743197861696,0.04618429168665616,0.03227160578438763,0.21504694674799532
EOS-3-29062,CCOc1cc(C#N)cc(-c2nnc3cncc(-c4cccnc4-c4cccc(C)n4)n23)c1,FQRUIINIAOGZIX-UHFFFAOYSA-N,3,1,0.301,96,139,433.475,4.494,5,0.402,0.7,0.996,0.3240867658145432,0.25292132136248374,0.6346549242683847,0.5410784044959221,0.4381853539853334
EOS-3-29063,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cn1,CIXYBAVBUWSPRA-UHFFFAOYSA-N,3,1,0.304,70,664,454.885,3.488,6,0.375,0.68,0.998,0.026523199232403535,0.1638767048180385,0.332345281337811,0.3692173257487492,0.22299062778425055
EOS-3-29064,Cn1c(CO)nnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)nc1,YZNDTSCVGZXTFD-UHFFFAOYSA-N,3,1,0.268,86,652,463.465,1.993,6,0.403,0.6,1.0,0.1347919950654513,0.10067850044548009,0.056995750805290936,0.06498012473442533,0.08936159276266192
EOS-3-29065,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)c2)s1,GKBFGZQNCRTUCY-UHFFFAOYSA-N,3,1,0.353,9,598,438.476,4.335,6,0.4,0.67,1.0,0.16222328832842162,0.15226852169145363,0.24452573504214928,0.257478925364951,0.20412411760674387
EOS-3-29066,OCc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)cn1,ICDDDKURWBYUHX-UHFFFAOYSA-N,3,1,0.426,46,181,430.403,2.249,5,0.404,0.64,1.0,0.4892485093550819,0.41010725789870467,0.4539013775615105,0.3724641902542663,0.4314303337673909
EOS-3-29067,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)ccc1F,QEGHTSJAQHYACL-UHFFFAOYSA-N,3,1,0.447,44,481,428.431,3.107,5,0.406,0.64,0.927,0.667526214789939,0.4901908710849154,0.25879823178671785,0.23684120348159823,0.41333913028579267
EOS-3-29068,COc1cc(-c2nnc3cncc(OCCc4cnc(F)cn4)n23)ccc1-c1ccnnc1,NRPAGJMKXVSQDL-UHFFFAOYSA-N,3,1,0.484,20,202,444.43,2.808,5,0.374,0.61,1.0,0.7756665067507368,0.7459478445617161,0.43957747926804197,0.3370313892125283,0.5745558049482558
EOS-3-29069,c1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)nc2)cn1,IRKFLJUMMMHVCM-UHFFFAOYSA-N,3,1,0.244,86,421,421.388,1.076,6,0.402,0.64,0.989,0.0023387704749503117,0.012225001713384963,0.016859708039202247,0.02138304434240285,0.013201631142485092
EOS-3-29070,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)ccn2)nc1,JLBGLTLLSVSMJC-UHFFFAOYSA-N,3,1,0.536,24,199,451.824,4.154,5,0.396,0.67,1.0,0.7465475292988829,0.8089233088890412,0.8400640805976287,0.8531286409430471,0.81216588993215
EOS-3-29071,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cscn5)c4)n23)cn1,KZWITKKRONZVPE-UHFFFAOYSA-N,3,1,0.506,97,666,418.457,4.336,5,0.423,0.79,1.0,0.7130165855664451,0.6992923720101433,0.7015197724624769,0.6398379137824687,0.6884166609553836
EOS-3-29072,FCc1ccc(Cc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cc5F)c4)n23)cn1,IRVWQCROROWKFX-UHFFFAOYSA-N,3,1,0.333,85,81,449.852,4.496,5,0.393,0.68,1.0,0.44117949420875885,0.4951082859296827,0.747652662600233,0.785381399492838,0.6173304605578781
EOS-3-29073,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)s1,YKJKOSROWKRCJQ-UHFFFAOYSA-N,3,1,0.56,97,439,436.447,4.475,5,0.378,0.75,1.0,0.7007059146048934,0.5837074223836611,0.7800356384072373,0.7272462476869302,0.6979238057706806
EOS-3-29074,OCc1cc(-c2nnc3cncc(OCCc4cccs4)n23)cc(-c2ccnnc2)n1,HMBAYCJELRGYIO-UHFFFAOYSA-N,3,1,0.575,87,796,431.481,2.819,5,0.419,0.67,1.0,0.5067850044548009,0.4239942430265232,0.27343053937358647,0.2338770474950312,0.35952170858748544
EOS-3-29075,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnco5)n4)n23)cc1,AGPPAPCXLYQJFV-UHFFFAOYSA-N,3,1,0.319,98,865,422.412,2.699,6,0.421,0.6,1.0,0.15135186073607018,0.06380645603454184,0.12064800219313275,0.13148516208621752,0.11682287026249058
EOS-3-29076,Fc1cnc(CCOc2cncc3nnc(-c4cncc(-c5ccncc5)c4)n23)nc1,DELLNFMQSYFQPL-UHFFFAOYSA-N,3,1,0.494,2,419,414.404,2.799,5,0.418,0.75,1.0,0.6461260365979028,0.5933880474264958,0.32486635597285995,0.3402182852443287,0.4761496813103968
EOS-3-29077,Fc1ccncc1-n1cc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nn1,HHKXCGABLDGGGB-UHFFFAOYSA-N,3,1,0.265,86,892,437.402,2.425,6,0.409,0.56,0.999,0.008738263313001165,0.13010588719073402,0.19170207662257557,0.26941265163456923,0.14998971969022
EOS-3-29078,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cc1F,FQHXTUDVMAFSQK-UHFFFAOYSA-N,3,1,0.329,98,314,468.431,3.384,6,0.387,0.64,1.0,0.27410732643410324,0.36748680693578234,0.36955143581659927,0.4166009869097389,0.3569366390240559
EOS-3-29079,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)nc2)o1,HKVKHERXLNUDAA-UHFFFAOYSA-N,3,1,0.624,84,308,450.861,4.564,5,0.374,0.76,1.0,0.8990387910355698,0.784507573161538,0.7566907682818176,0.727254814611747,0.7918729867726682
EOS-3-29080,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccco5)cn4)n23)cc1,VJSNTKMSZQXYCJ-UHFFFAOYSA-N,3,1,0.346,32,515,435.422,4.709,6,0.396,0.72,0.999,0.3317284627510109,0.4101158248235213,0.6801024604208074,0.7272633815365637,0.5373025323829759
EOS-3-29081,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ncc1-c1cc(C)nc(C)c1,KTFJYLBRZVHPAL-UHFFFAOYSA-N,3,1,0.472,18,840,453.506,3.89,5,0.366,0.69,1.0,0.41346549242683844,0.09129771777122885,0.4208244808443561,0.24266671235693235,0.2920636008498389
EOS-3-29082,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)cc5)o4)n23)nc1,PGCJMOSOCLQCDG-UHFFFAOYSA-N,3,1,0.317,3,572,455.869,3.957,6,0.392,0.69,1.0,0.17297477897333974,0.3092488520320746,0.32487492289767667,0.4007607429237201,0.3019648242067028
EOS-3-29083,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)nn5)n4)n23)cc1,MCAZNWIRQGKAKT-UHFFFAOYSA-N,3,1,0.314,98,890,441.394,1.159,6,0.391,0.57,0.996,0.026531766157220204,0.13717360016448496,0.023242067027619766,0.035535604139538074,0.05562075937221575
EOS-3-29084,COc1ncc(-c2cnnnc2C)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,ZJZBZMIGUZOSCC-UHFFFAOYSA-N,3,1,0.265,33,432,480.492,2.31,6,0.384,0.78,0.873,0.11008498389418135,0.037625933794805014,0.04144678226303886,0.03440477006373792,0.05589061750394078
EOS-3-29085,CC(C)Oc1cc(F)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,SQFJDDAIKYANIK-UHFFFAOYSA-N,3,1,0.488,90,555,414.828,3.74,4,0.475,0.74,1.0,0.8247721197998766,0.7459564114865328,0.6497926804194366,0.5799808100884106,0.7001255054485641
EOS-3-29086,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5cc(F)ccn5)c(OC)n4)n23)cn1,TYAYDCWOQNQOEP-UHFFFAOYSA-N,3,1,0.375,49,501,445.414,3.592,5,0.387,0.62,1.0,0.7465560962236996,0.5544085395106573,0.4430385168939757,0.28424199849222126,0.5070612877801384
EOS-3-29087,COCc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5cnc(C)nc5)n34)c2)n1,ZABXRGSKBWEXTE-UHFFFAOYSA-N,3,1,0.523,15,921,454.494,3.115,5,0.349,0.65,1.0,0.5803491878555274,0.2992512507710232,0.18834384209444177,0.11362312384346515,0.2953918511411144
EOS-3-29088,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nn1,FCPPIEOAQKACLG-UHFFFAOYSA-N,3,1,0.3,76,14,438.48,3.167,6,0.412,0.6,1.0,0.058118017956274415,0.10395963265026387,0.13809882804468507,0.1403262284970187,0.1101256767870605
EOS-3-29089,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)n4C)n23)cc1,YZTWBYNWTPVRNK-UHFFFAOYSA-N,3,1,0.329,8,890,469.9,3.098,6,0.361,0.66,1.0,0.13480056199026796,0.2785963950380371,0.1065040093208142,0.18499417449112465,0.176223785210061
EOS-3-29090,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)c1F,FKRTVAOAKHIVJZ-UHFFFAOYSA-N,3,1,0.293,39,449,455.388,3.639,6,0.392,0.62,1.0,0.35059283119731344,0.3483311630457131,0.45724247824001096,0.5312435748063875,0.4218525118223562
EOS-3-29091,Fc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ncn3)n12,WYTCGENJQJWJIP-UHFFFAOYSA-N,3,1,0.568,44,130,447.861,4.057,5,0.362,0.69,1.0,0.8194349256390926,0.8353265711740113,0.7116972791446782,0.7510194640531834,0.7793695600027414
EOS-3-29092,COc1cc(-c2nnn(C)n2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,NYJOVGZXCBOHTD-UHFFFAOYSA-N,3,1,0.457,36,224,450.85,2.013,5,0.378,0.65,1.0,0.3983191693509698,0.44616544445205947,0.10142382290453018,0.08650880679871154,0.25810431087656777
EOS-3-29093,Fc1cc(COc2cncc3nnc(-c4ccccn4)n23)cc(-c2ncc(Cl)cn2)n1,XUXKLMDONIWCRQ-UHFFFAOYSA-N,3,1,0.483,46,775,434.822,3.41,5,0.387,0.59,1.0,0.7100181618806113,0.6698478514152559,0.42473099856075663,0.46718011102734563,0.5679442807209923
EOS-3-29094,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)nc4)n23)nc1,HPMYLLRRNVMAEM-UHFFFAOYSA-N,3,1,0.303,70,191,421.424,3.304,6,0.426,0.65,1.0,0.04081282982660544,0.041309711465972176,0.2919779316016723,0.2665769995202522,0.16016936810362553
EOS-3-29096,Cc1nc(CCOc2cncc3nnc(-c4cc(F)cc(-c5ccccn5)c4)n23)ccc1F,MFFMJYZCXJFOKH-UHFFFAOYSA-N,3,1,0.5,11,275,444.445,4.456,5,0.385,0.72,1.0,0.8221677746556096,0.7413559728599822,0.7298934274552806,0.7085703515865944,0.7504968816393667
EOS-3-29097,Fc1cc(F)cc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)c1,IGJHLEFIPNHGOQ-UHFFFAOYSA-N,3,1,0.471,44,692,416.391,4.106,5,0.429,0.74,1.0,0.6315708313343842,0.5500479747789734,0.8385134672058118,0.8384363648824618,0.7146421595504078
EOS-3-29098,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)cn4)n23)nc1,MTPSSJQGYSWXOB-UHFFFAOYSA-N,3,1,0.309,86,432,409.413,2.065,5,0.478,0.82,1.0,0.1593876362141046,0.06381502295935851,0.1411486532794188,0.09828832842162977,0.11565991021862791
EOS-3-29099,NC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4cc(CO)ncn4)n23)nc1,WNXKKTXEDSJDIW-UHFFFAOYSA-N,3,1,0.311,33,432,425.412,1.296,5,0.423,0.62,0.998,0.23412548831471455,0.08835069563429511,0.11490816256596532,0.08480398876019464,0.1305470838187924
EOS-3-29100,Cc1nnc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)s1,NBCASRMCHBXDIS-UHFFFAOYSA-N,3,1,0.296,98,882,458.536,3.537,6,0.394,0.63,1.0,0.07302446713727641,0.08165992735247755,0.015394763895552053,0.020637721883352753,0.04767922006716469
EOS-3-29101,Cc1nc(-c2nnc3cncc(OCCc4cncc(F)n4)n23)ccc1-c1nccs1,MEUVXTOAJZCENQ-UHFFFAOYSA-N,3,1,0.419,18,279,434.46,3.169,5,0.401,0.64,0.816,0.5505105887190734,0.5595572613254746,0.10143238982934685,0.10025872112946337,0.32793974025083955
EOS-3-29102,Cc1csc(COc2cncc3nnc(-c4cc(-c5cnc(C#N)nc5)ncn4)n23)n1,ORSPPWBNRQALCT-UHFFFAOYSA-N,3,1,0.385,7,113,428.441,2.254,5,0.409,0.7,0.982,0.36427421012953193,0.2943938043999726,0.0690579809471592,0.049268384620656566,0.19424859502433006
EOS-3-29103,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5cnnc(-c6cccnc6)n5)n34)cn2)cc1F,QVUOUZGFUMYLRM-UHFFFAOYSA-N,3,1,0.293,86,72,466.415,3.441,6,0.385,0.61,0.997,0.2582413816736344,0.3817678706051676,0.5094578849976013,0.5890874511685286,0.4346386471112329
EOS-3-29104,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)nc2)nc1,KFSRXBLJRMKDFI-UHFFFAOYSA-N,3,1,0.419,13,110,436.809,4.972,5,0.395,0.74,1.0,0.7611884038105682,0.8089318758138578,0.9140908779384552,0.9331951202796245,0.8543515694606264
EOS-3-29105,Cc1ccc(-c2nnc3cncc(-c4ncccc4OCc4ccc(Cl)c(F)c4)n23)nc1,FCSUGOJFEZNTLT-UHFFFAOYSA-N,3,1,0.381,44,586,446.873,4.928,5,0.381,0.77,0.998,0.5554708381879241,0.6024775546569804,0.82453224590501,0.8242581043108765,0.7016846857651977
EOS-3-29106,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cnn2)nc1,LBFRKMUMIXRMAE-UHFFFAOYSA-N,3,1,0.627,89,996,472.415,3.695,5,0.349,0.75,1.0,0.8828815708313343,0.8456839832773627,0.8770817627304502,0.8242666712356932,0.8574784970187102
EOS-3-29107,Cc1nc(-c2cccnn2)c(F)c(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)n1,XDOBBWOALRVLIE-UHFFFAOYSA-N,3,1,0.312,38,193,467.493,4.276,6,0.378,0.74,0.646,0.2741158933589199,0.3243352066342266,0.21602357617709547,0.25144781029401686,0.2664806216160647
EOS-3-29108,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)nc1,ZPKQHVHGEGTSSQ-UHFFFAOYSA-N,3,1,0.324,38,57,418.42,3.965,6,0.423,0.72,1.0,0.14541498183811938,0.15620930710712083,0.44304708381879243,0.43251833321910765,0.29429742649578505
EOS-3-29109,Cc1cc(-c2nnccc2-c2cncc3nnc(-c4ccc(C#N)c(F)c4)n23)ccc1F,CYRCWIMSMNWLAR-UHFFFAOYSA-N,3,1,0.357,96,648,425.402,4.374,5,0.426,0.67,1.0,0.40694606264135424,0.55005654170379,0.9376841888835583,0.9367846617778083,0.7078678637516277
EOS-3-29110,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)n1,NMAQXFLVCPTHLC-UHFFFAOYSA-N,3,1,0.528,37,265,462.876,3.761,5,0.375,0.66,1.0,0.8296809677198272,0.8246179151531766,0.5231992324035364,0.5476064012062231,0.6812761291206908
EOS-3-29111,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)s4)n23)nc1,ZLODPOZFGXQEPM-UHFFFAOYSA-N,3,1,0.253,70,813,437.492,3.772,6,0.414,0.64,0.988,0.021991296004386266,0.06745596600644232,0.30631039681995753,0.290178877390172,0.17148413405523955
EOS-3-29112,Fc1cc(-c2ccc(COc3cncc4nnc(-c5cccnc5)n34)cc2Cl)ccn1,DXVZIIFFFXKVSR-UHFFFAOYSA-N,3,1,0.556,97,91,432.846,4.62,5,0.377,0.75,1.0,0.8142091015009252,0.872626961825783,0.907520046604071,0.9105784387636214,0.8762336371736003
EOS-3-29113,Cn1c(C#N)nnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)ncn1,PIKVVJJBLWPICS-UHFFFAOYSA-N,3,1,0.385,31,105,445.834,1.876,5,0.392,0.59,0.998,0.4205075046261394,0.5500651086286067,0.06089370159687479,0.10241758618326366,0.2834709752587211
EOS-3-29114,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccn4)n23)s1,JXCKBPQAWIKOSC-UHFFFAOYSA-N,3,1,0.295,76,272,438.48,3.167,6,0.412,0.63,0.802,0.03772016996778836,0.01790487286683572,0.07335857720512645,0.10242615310808033,0.05785244328695771
EOS-3-29115,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)F)nn5)n34)cn2)n1,RDRUHENPDVRBIS-UHFFFAOYSA-N,3,1,0.451,36,52,436.386,2.288,5,0.394,0.59,1.0,0.40907922692070453,0.4414707696525255,0.2588067987115345,0.18500274141594134,0.3235898841751765
EOS-3-29116,CCn1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc(-c2ccc(C)nn2)c1=O,AUAVWWAYVWVVES-UHFFFAOYSA-N,3,1,0.452,15,142,454.494,2.755,5,0.369,0.68,1.0,0.15939620313892125,0.02401309026111987,0.12610513330135015,0.102434720032897,0.10298728668357207
EOS-3-29117,Cc1ccc(F)c(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cnn2)n1,QYSQIZAQRUPYAM-UHFFFAOYSA-N,3,1,0.505,4,712,448.849,3.718,5,0.4,0.62,0.969,0.5322801727092044,0.6258909601809335,0.519832430950586,0.5576297032417243,0.558908316770612
EOS-3-29118,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)ccn2)cn1,KJHMLNGXFJBOIN-UHFFFAOYSA-N,3,1,0.482,7,980,448.849,3.718,5,0.4,0.62,1.0,0.7785535604139538,0.7228000137070797,0.5988794462339798,0.5923086148995956,0.6731354088136523
EOS-3-29119,Cc1nc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)no1,KZIJWRQJKVZGOV-UHFFFAOYSA-N,3,1,0.565,35,161,451.849,3.959,5,0.382,0.69,1.0,0.8038002878486739,0.8670241929956822,0.5332482352134877,0.5606452607771915,0.6911794942087588
EOS-3-29120,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc5c(F)cc(Cl)cc5cn4)n23)cc1F,JDMMZPSURPWQQP-UHFFFAOYSA-N,3,1,0.325,74,802,476.874,4.83,6,0.401,0.8,0.932,0.357669111095881,0.4592899732711946,0.7613940100061681,0.87548831471455,0.6134603522719484
EOS-3-29121,Cc1cc(-c2nnc3cncc(Cc4ccc(-c5cnccn5)nc4)n23)ccc1Cl,XDIHYTWYKJQHHP-UHFFFAOYSA-N,3,1,0.357,85,81,413.872,4.196,5,0.439,0.82,1.0,0.34140052086902883,0.41481049962305533,0.6553012130765541,0.677352477554657,0.5222161777808239
EOS-3-29122,Cc1ccc(-c2nnc3cncc(-c4nc(OC5CCCCC5F)n(C)n4)n23)cc1F,PHDOOSWJNKFZAJ-UHFFFAOYSA-N,3,1,0.308,78,792,425.443,3.694,5,0.496,0.63,0.357,0.34607806181892947,0.30925741895689124,0.08469261873757795,0.2453395928997327,0.24634192310328284
EOS-3-29123,c1ccc(Oc2nccnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,XPDGLGJYVOQLCW-UHFFFAOYSA-N,3,1,0.398,30,93,443.47,5.103,6,0.366,0.85,1.0,0.29340004112123913,0.17195531492015625,0.5094664519224179,0.5145552052635186,0.37234425330683296
EOS-3-29124,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)c2)nn1,HPWRXQGFWQFIGA-UHFFFAOYSA-N,3,1,0.467,59,109,447.861,4.323,5,0.396,0.68,1.0,0.6768984305393736,0.7546775409499006,0.7866921389897882,0.792397710917689,0.7526664553491879
EOS-3-29125,Cc1cccnc1-n1ncc(F)c1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,FNMJMPFANGMJLC-UHFFFAOYSA-N,3,1,0.307,38,42,451.469,3.887,6,0.404,0.61,1.0,0.04523336303200603,0.1638852717428552,0.26960112398053593,0.28692344595983826,0.19141080117880888
EOS-3-29126,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccccn6)ncn5)n34)cc2)c1,FGPQOYWQHJVJIM-UHFFFAOYSA-N,3,1,0.38,93,651,445.461,5.116,6,0.375,0.81,1.0,0.2767459392776369,0.4461740113768762,0.7845675416352547,0.8184925639092592,0.5814950140497568
EOS-3-29127,Cc1nnc(-c2sccc2-c2cncc3nnc(-c4ccc(-c5cn(C)nn5)cn4)n23)o1,SUBSBUSDDFIYHE-UHFFFAOYSA-N,3,1,0.263,99,813,442.468,3.069,6,0.405,0.61,0.999,0.03245151120553766,0.06382358988417518,0.041455349187855525,0.04132684531560551,0.04476432389829347
EOS-3-29128,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cncs4)c3)n12,RURCFLKVDLQSIV-UHFFFAOYSA-N,3,1,0.588,35,494,436.447,4.21,5,0.397,0.7,1.0,0.9083853060105544,0.8808769104242341,0.7995510931396066,0.7969296141457063,0.8464357309300254
EOS-3-29129,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnn6)cn5)n34)nc2)cn1,WVMQCXXPQWREJU-UHFFFAOYSA-N,3,1,0.365,80,855,462.437,1.864,6,0.354,0.62,1.0,0.38061990267973406,0.2632273319169351,0.10403673497361388,0.09223151257624564,0.21002887053663216
EOS-3-29130,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccc5F)cn4)n23)nc1)N1CCOCC1,CVPHKUXCUFXFMX-UHFFFAOYSA-N,3,1,0.373,52,821,482.479,2.922,6,0.385,0.79,0.997,0.058126584881091084,0.01634569255020218,0.01942978548420259,0.07210780618189294,0.0415024672743472
EOS-3-29131,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)n4)n23)cc1F,XIOHXMGXQVIDDJ-UHFFFAOYSA-N,3,1,0.37,85,357,484.47,3.405,6,0.393,0.8,1.0,0.1786460832019738,0.23763792748954835,0.35478205743266394,0.445120279624426,0.30404658693715303
EOS-3-29132,c1cncc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6ccnnc6)c5)n34)cn2)c1,DFBUTEOUGOHCQJ-UHFFFAOYSA-N,3,1,0.28,86,780,419.412,2.286,6,0.423,0.62,1.0,0.0008652594064834487,0.0073589884175176475,0.19171064354739223,0.2015112055376602,0.10036152422726338
EOS-3-29133,Cn1nc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1ccc(C#N)nc1,CNPQBJQZMJTBGH-UHFFFAOYSA-N,3,1,0.444,95,493,428.481,3.141,5,0.409,0.65,1.0,0.3760023302035501,0.22783736549928038,0.29560174079912277,0.2636214104585018,0.29076571174011373
EOS-3-29134,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)ccn2)n1,AEWDQXCTULJAMX-UHFFFAOYSA-N,3,1,0.463,75,420,462.876,3.761,5,0.375,0.67,1.0,0.8372284284833116,0.767562195874169,0.39948427112603657,0.41982215064080597,0.6060242615310808
EOS-3-29135,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)nc1,XFUWSQWRFSNUAJ-UHFFFAOYSA-N,3,1,0.427,46,62,420.383,3.284,5,0.416,0.71,1.0,0.3293639915016106,0.18470289904735795,0.685371119183058,0.5981341237749298,0.4493930333767391
EOS-3-29136,OCc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,UUKUSQBJDVWOLK-UHFFFAOYSA-N,3,1,0.418,2,858,446.858,2.763,5,0.392,0.64,1.0,0.522102666027003,0.5544171064354739,0.5129103556987183,0.4762096497841135,0.5164099444863272
EOS-3-29138,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5cnn(-c6cnco6)c5)n34)cn2)nc1,KLKFZOHSMKCOAI-UHFFFAOYSA-N,3,1,0.259,86,513,426.375,2.623,6,0.418,0.62,1.0,0.03365944760468782,0.07809608662874375,0.2659344801590021,0.30230107600575695,0.16999777259954765
EOS-3-29139,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)nn1,ZCFAVZBJENFIMM-UHFFFAOYSA-N,3,1,0.518,20,658,429.419,2.502,5,0.401,0.59,1.0,0.7642296621204853,0.8387876087999452,0.18179871153450758,0.17657288739634022,0.49034721746281956
EOS-3-29140,Cc1nc(F)ccc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cn1,TWGWTGJWNKBYBM-UHFFFAOYSA-N,3,1,0.466,97,565,447.861,4.323,5,0.37,0.75,1.0,0.8534199163868138,0.8551847028990474,0.7401309026111987,0.7085789185114112,0.7893286101021177
EOS-3-29141,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)nc1,KFMFBXUQZOTSPS-UHFFFAOYSA-N,3,1,0.407,46,980,451.853,3.231,5,0.387,0.65,1.0,0.4529247481324104,0.4329466794599411,0.26246487560825166,0.32405249811527653,0.3680972003289699
EOS-3-29142,Fc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4Cl)n23)cn1,QLUWYIHGAQJIAJ-UHFFFAOYSA-N,3,1,0.477,73,540,452.812,3.549,5,0.399,0.62,1.0,0.7756750736755534,0.855193269823864,0.7168374340346789,0.7459392776368995,0.7734112637927489
EOS-3-29143,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)c1,ZZQZQNLMUFQYHG-UHFFFAOYSA-N,3,1,0.297,10,748,470.859,3.684,6,0.383,0.67,0.949,0.007513193064217668,0.12689329038448358,0.3994928380508533,0.6163816736344322,0.2875702487834967
EOS-3-29144,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)c2)cn1,BWGFAOCYWHIIRR-UHFFFAOYSA-N,3,1,0.541,7,858,421.424,2.797,5,0.421,0.65,0.997,0.580357754780344,0.454997943938044,0.4607720512644781,0.34648927421012954,0.46065425604824894
EOS-3-29145,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)ccc1-c1cccnc1,OKPSHGIHMYUPHD-UHFFFAOYSA-N,3,1,0.511,97,83,445.87,3.884,5,0.363,0.69,1.0,0.6769069974641903,0.6745682269892399,0.6439757384689192,0.5671989582619423,0.640662480296073
EOS-3-29146,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)c(F)c1,HEILWEHGKWFGSQ-UHFFFAOYSA-N,3,1,0.562,73,540,418.367,2.896,5,0.429,0.67,1.0,0.7192790076074292,0.8283359605236105,0.5768281817558769,0.5830991707216777,0.6768855801521485
EOS-3-29147,Cc1nc(-c2nnnn2C)ccc1-c1nnc2cncc(OCc3cc(F)c(Cl)cn3)n12,WPXZXFMVYHECGU-UHFFFAOYSA-N,3,1,0.457,36,728,452.841,2.452,5,0.395,0.62,1.0,0.3917911726406689,0.5312093071071208,0.15011822356247,0.20476663696799396,0.31947133506956343
EOS-3-29148,Fc1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)n5cccc5)nc4)n23)cn1,VBOMATFXZHZJJV-UHFFFAOYSA-N,3,1,0.395,85,81,421.386,3.71,5,0.405,0.71,0.983,0.35516756904941404,0.4240028099513399,0.962502570077445,0.9214327325063395,0.6657764203961346
EOS-3-29149,Cc1cc(-c2nccn2C)ccc1-c1nnc2cncc(COc3ccc(Cl)cn3)n12,YZDQBPDOWGQWNK-UHFFFAOYSA-N,3,1,0.394,14,351,431.887,4.128,5,0.416,0.66,1.0,0.4388235898841752,0.4768864368446303,0.512918922623535,0.4639760811459119,0.4731512576245631
EOS-3-29150,Cc1nc(-c2ncc(F)cn2)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)n1,WBNLNYKFCCUMBM-UHFFFAOYSA-N,3,1,0.368,51,924,450.825,2.508,5,0.393,0.57,0.997,0.6036340895072305,0.540487286683572,0.08703995613734494,0.12053663217051608,0.33792449112466594
EOS-3-29151,Clc1ccccc1CCOc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,WFTWWKQZIVGRND-UHFFFAOYSA-N,3,1,0.792,24,583,434.912,4.585,5,0.389,0.74,1.0,0.7039270783359606,0.7459649784113495,0.5891731204166952,0.6427078335960523,0.6704432526900144
EOS-3-29152,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)c(F)c1,ALFUGRLRUJMNST-UHFFFAOYSA-N,3,1,0.461,63,12,409.425,2.301,4,0.525,0.82,1.0,0.3191693509697759,0.31961483106024263,0.17225515728873964,0.08136865190871084,0.22310199780686724
EOS-3-29153,Cc1nn(C)c(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,XUYRYZLBKFOIRO-UHFFFAOYSA-N,3,1,0.326,30,945,444.502,4.624,6,0.394,0.72,0.962,0.04657837022822288,0.044942087588239324,0.2774569940374203,0.31508292783222536,0.17101509492152697
EOS-3-29154,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(F)c(-c5cncnc5)cn4)n23)c(F)c1,YSGYVQHUWXSRCN-UHFFFAOYSA-N,3,1,0.292,94,219,469.419,2.779,6,0.383,0.6,0.978,0.17569049414022342,0.26835891988211913,0.43191864848194095,0.5008652594064834,0.3442083304776917
EOS-3-29155,FCc1cncc(-c2cnc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)c1,PBXPOEHAPYNWQU-UHFFFAOYSA-N,3,1,0.402,65,658,429.419,2.524,5,0.385,0.6,0.996,0.48925707627989856,0.41012439174833804,0.2019652525529436,0.19045987252415872,0.3229516482763347
EOS-3-29156,Cn1nncc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)cnn1,MAQILINUDQHTKS-UHFFFAOYSA-N,3,1,0.314,99,112,454.433,1.978,6,0.392,0.55,0.997,0.1729833458981564,0.2683674868069358,0.15317661572202043,0.17953704338290727,0.19351612295250498
EOS-3-29157,OCc1ccc(-c2nnc3cncc(OCc4csc(-c5cccnc5F)n4)n23)cc1,YERAPESZLZZLHT-UHFFFAOYSA-N,3,1,0.523,1,436,434.456,3.52,5,0.408,0.72,1.0,0.6828438763621411,0.7089044616544445,0.5367435405386882,0.4822750325543143,0.602691727777397
EOS-3-29158,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c1F,IFMSIMZTAYURTG-UHFFFAOYSA-N,3,1,0.478,75,420,432.394,2.938,5,0.403,0.59,1.0,0.829689534644644,0.6993009389349599,0.4208330477691728,0.42305188129668975,0.5932188506613666
EOS-3-29159,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)nn4)n23)cc1,MXFXEJDPNZJWTD-UHFFFAOYSA-N,3,1,0.317,39,972,437.402,2.63,6,0.441,0.55,0.435,0.20664279350284423,0.25781303543280104,0.19513741347405936,0.30230964293057366,0.24047572133506956
EOS-3-29160,N#Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)cn1,ZBGFCFPRQJOIKU-UHFFFAOYSA-N,3,1,0.494,7,535,426.375,2.023,5,0.41,0.6,1.0,0.6373792063600849,0.6122952504968816,0.28108080323487084,0.25748749228976764,0.4470606880954013
EOS-3-29161,N#Cc1cncc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)c1,KIZDYDPIUAUPPX-UHFFFAOYSA-N,3,1,0.404,55,182,441.842,3.142,5,0.377,0.62,1.0,0.5747721197998766,0.5544256733602906,0.6553097800013707,0.6743197861695566,0.6147068398327736
EOS-3-29162,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c(Cl)cn1,JREZWCABBSITBY-UHFFFAOYSA-N,3,1,0.388,33,760,463.849,1.103,5,0.385,0.61,1.0,0.43187581385785756,0.367495373860599,0.04441093824960592,0.047760605852923035,0.2228856829552464
EOS-3-29163,Cc1cccc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n1,XFXSEHASQOOHFW-UHFFFAOYSA-N,3,1,0.575,11,684,442.91,4.832,5,0.374,0.74,1.0,0.7841820300185045,0.8168220135700089,0.6853796861078747,0.6803337673908574,0.7416793742718113
EOS-3-29164,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5ncc(C)nc5C)n34)c2)nn1,UVWORHUZXUPXST-UHFFFAOYSA-N,3,1,0.413,92,464,425.456,2.938,5,0.419,0.63,1.0,0.32675964635734356,0.16389383866767185,0.08953293125899527,0.05303783153999041,0.15830606195600028
EOS-3-29165,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3cnc(-c4cccnc4F)nc3)n12,PKERUQFVVWSEDX-UHFFFAOYSA-N,3,1,0.318,42,106,455.388,3.639,6,0.367,0.65,1.0,0.3317370296758276,0.40548968542252073,0.5568415461585909,0.5799893770132273,0.46851440956754165
EOS-3-29166,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(Cl)cn2)cs1,MWGMDZQKGOKAAM-UHFFFAOYSA-N,3,1,0.523,89,805,477.937,3.95,5,0.393,0.77,1.0,0.6315793982592008,0.49974299225549995,0.40670618874648756,0.33054622712631077,0.4671437015968748
EOS-3-29167,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cn1,VQAWGYLFJVRUQE-UHFFFAOYSA-N,3,1,0.302,10,507,455.873,2.883,6,0.398,0.6,0.847,0.02888767048180385,0.1981101363854431,0.1411572202042355,0.2280943732437804,0.1490623500788157
EOS-3-29168,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ccnnc1,WXRGDARUMGLCOB-UHFFFAOYSA-N,3,1,0.506,72,639,447.861,4.057,5,0.362,0.7,1.0,0.8939928723185525,0.9421047220889589,0.7427866493043657,0.7786306627373039,0.8393787266122952
EOS-3-29169,Cc1cnc(COc2cncc3nnc(-c4cc(Cl)cc(-c5nc(C)c(C)n5C)c4)n23)cn1,ILGFEJWXROJHTJ-UHFFFAOYSA-N,3,1,0.549,7,677,460.929,4.139,5,0.389,0.75,1.0,0.3689688849290659,0.414819066547872,0.21603214310191213,0.17658145432115688,0.2941003872250017
EOS-3-29170,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)cn1,WXIPXNKOKGXWFL-UHFFFAOYSA-N,3,1,0.429,94,870,465.452,3.975,6,0.376,0.74,0.998,0.45971831951202796,0.5175793297238024,0.48515351929271466,0.4671886779521623,0.48240996162017685
EOS-3-29171,Cn1cc(-c2ccc(F)c(-c3nnc4cncc(-c5cnnc(-c6cnn(C)c6)n5)n34)n2)cn1,PGUVEYCNQCLAQJ-UHFFFAOYSA-N,3,1,0.262,99,286,454.433,1.978,6,0.392,0.58,1.0,0.09300253580974574,0.2122883969570283,0.10404530189843054,0.11363169076828182,0.1307419813583716
EOS-3-29172,Clc1cnc(COc2cncc3nnc(-c4cncnc4-c4ccccc4)n23)nc1,KCDSRFNDMCEUGU-UHFFFAOYSA-N,3,1,0.442,51,196,416.832,3.271,5,0.43,0.74,1.0,0.5893273250633952,0.5785501336440272,0.2552172572133507,0.33703995613734494,0.44003366801452953
EOS-3-29173,Clc1ccc(-c2nnc3cncc(-c4cnn(Cc5ccnn5-c5ccncc5)n4)n23)cc1,VSVOKLQMKHKYOZ-UHFFFAOYSA-N,3,1,0.357,10,620,454.885,3.332,6,0.393,0.59,1.0,0.0452419299568227,0.3092659858817079,0.2303646083201974,0.36287780138441506,0.23693758138578577
EOS-3-29174,Fc1cnc(-c2cccc(Cc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)nc1,DPLXWLFYSHWTMN-UHFFFAOYSA-N,3,1,0.38,14,81,452.28,4.68,5,0.394,0.7,1.0,0.4157442944280721,0.6215732300733329,0.7015283393872935,0.8323795490370777,0.6428063532314441
EOS-3-29175,CCc1ncc(Cc2cncc3nnc(-c4nccnc4-c4ccnc(Cl)c4)n23)cn1,XMMSZVXHZDBNCK-UHFFFAOYSA-N,3,1,0.282,85,976,429.875,3.24,5,0.392,0.62,0.998,0.25307552600918376,0.18471146597217464,0.10144095675416352,0.15001542046467,0.17231084230004798
EOS-3-29176,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)nc2)cc1,JSSYSWXTPFSBPL-UHFFFAOYSA-N,3,1,0.518,97,992,416.391,4.106,5,0.402,0.82,1.0,0.8487423754369131,0.7228085806318963,0.8691316565005826,0.8647025563703653,0.8263462922349393
EOS-3-29177,c1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)cs2)nc1,MMQJOPWSBKFFQI-UHFFFAOYSA-N,3,1,0.319,32,368,434.488,4.434,6,0.405,0.7,1.0,0.031217874031937497,0.15227708861627032,0.2991741484476732,0.33370742238366113,0.20409413336988552
EOS-3-29178,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cccnn6)c5)n34)cn2)n(C)n1,QQVGSOURZUAMDN-UHFFFAOYSA-N,3,1,0.281,38,727,445.49,4.019,6,0.404,0.64,1.0,0.07916695223082722,0.05986567061887465,0.3469690219998629,0.3305547940511274,0.20413910972517305
EOS-3-29179,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(Cl)ccc5Cl)cc4)n23)cc1,YMNSZYHNTYMGPN-UHFFFAOYSA-N,3,1,0.429,62,3,461.312,4.926,5,0.383,0.8,1.0,0.25549139880748406,0.24808957576588309,0.8262284970187102,0.8531372078678637,0.5457366698649853
EOS-3-29180,Cc1cnc(-c2cccc(-c3nnc4cncc(Oc5cncc(Cl)c5)n34)c2)cn1,ZIUAJJWKBLJIBI-UHFFFAOYSA-N,3,1,0.456,13,374,415.844,4.397,5,0.429,0.79,1.0,0.6646819957508053,0.6894832430950586,0.6231238434651497,0.6222928517579329,0.6498954835172367
EOS-3-29181,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nc2F)s1,VCPXXVBUTGZQAX-UHFFFAOYSA-N,3,1,0.466,31,237,434.46,3.169,5,0.376,0.67,1.0,0.5530635323144404,0.5268573093002535,0.13486053046398463,0.13805599342060174,0.3382093413748201
EOS-3-29182,CCn1cncc1-c1cc(Cl)nc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,OYEQJNRJPVQHID-UHFFFAOYSA-N,3,1,0.412,18,211,446.902,3.74,5,0.351,0.69,0.988,0.4112894935234048,0.3143461722979919,0.3358063189637448,0.3305633609759441,0.3480013364402714
EOS-3-29183,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nc2C)cs1,UWPQXKSXBVGMOR-UHFFFAOYSA-N,3,1,0.411,53,122,450.915,3.949,5,0.396,0.7,0.999,0.44814440408470974,0.5043177301076006,0.1531851826468371,0.15002398738948666,0.3139178260571585
EOS-3-29184,Cn1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)n1,KJKLAWCVDDCCMM-UHFFFAOYSA-N,3,1,0.56,4,391,420.383,2.839,5,0.431,0.64,1.0,0.6260194640531834,0.607489205674731,0.6377989856761017,0.5923171818244123,0.6159062093071072
EOS-3-29185,c1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)cc2)o1,XTMYVGPLMNWOLE-UHFFFAOYSA-N,3,1,0.301,42,339,423.461,4.632,6,0.408,0.77,1.0,0.20665136042766089,0.1764443835240902,0.502295935850867,0.5109656637653348,0.3490893358919882
EOS-3-29186,Cc1c(-c2cncc3nnc(-c4ccc(-c5ccoc5)nc4)n23)c(-c2cccnn2)nn1C,IWGHBSKIABSGPV-UHFFFAOYSA-N,3,1,0.29,70,719,435.451,3.612,6,0.413,0.62,0.952,0.04800047974778973,0.03763450071962168,0.13486909738880132,0.15524124460283736,0.09393633061476253
EOS-3-29187,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccn5)n4)n23)cc1Cl,IEFUMVXJYJRZJP-UHFFFAOYSA-N,3,1,0.467,27,343,466.839,4.208,5,0.366,0.73,1.0,0.7756836406003701,0.8755568501130834,0.7638098828044685,0.7459478445617161,0.7902495545199095
EOS-3-29188,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ncc(F)cn5)n4)n23)cc1,WPLDSXLNKWICOA-UHFFFAOYSA-N,3,1,0.308,98,42,439.418,2.369,6,0.411,0.54,1.0,0.03246007813035433,0.13718216708930162,0.1040538688232472,0.12916352546090057,0.10071490987595091
EOS-3-29189,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)c(F)c1F,NTPZFBJNQUIBBA-UHFFFAOYSA-N,3,1,0.466,13,110,421.342,3.853,5,0.407,0.7,1.0,0.7925690494140224,0.8168305804948256,0.9188198204372559,0.8963487766431362,0.85614205674731
EOS-3-29190,Cc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,OPILJSNSSLIAPL-UHFFFAOYSA-N,3,1,0.5,11,173,443.898,4.227,5,0.363,0.73,1.0,0.795438969227606,0.7967154410252896,0.39950140497566994,0.4198307175656226,0.6028716331985471
EOS-3-29191,Cc1nc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1ncccc1F,KFPQNGOPEAFXPJ-UHFFFAOYSA-N,3,1,0.593,19,159,444.445,4.456,5,0.385,0.69,1.0,0.8221763415804263,0.7929888287300391,0.6963710506476595,0.7002004660407101,0.7529341717497088
EOS-3-29192,Cc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cn1,KFFGAGQAESVHAE-UHFFFAOYSA-N,3,1,0.557,11,490,444.445,4.456,5,0.385,0.69,1.0,0.8296981015694607,0.8490936193543965,0.8189380439997258,0.7924062778425056,0.8225340106915221
EOS-3-29193,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cn4)n23)cn1,WPDDEEGRRQEIMK-UHFFFAOYSA-N,3,1,0.421,85,290,414.86,3.591,5,0.443,0.73,1.0,0.2716828867109862,0.3143547392228086,0.40296244260160374,0.42616167500514013,0.3537904358851347
EOS-3-29194,COc1cc(-c2nnc3cncc(OCCc4nc(C)co4)n23)ccc1-c1ccccc1,DDKUGZRYWGLPKU-UHFFFAOYSA-N,3,1,0.541,1,955,427.464,4.385,5,0.381,0.8,1.0,0.5452676307312727,0.26323589884175175,0.4067147556713042,0.315091494757042,0.3825774450003427
EOS-3-29195,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncnnc5-c5ccccc5)n34)nc2)ccn1,LCVVTCFKZZDIBB-UHFFFAOYSA-N,3,1,0.284,30,301,447.437,3.906,6,0.375,0.64,0.984,0.2636985127818518,0.2889709409910219,0.46791686656157905,0.5508532657117401,0.3928598965115482
EOS-3-29196,CCn1cc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,FZKCDZIGFWLYTR-UHFFFAOYSA-N,3,1,0.595,35,545,445.914,4.345,5,0.37,0.69,1.0,0.3483911315194298,0.45500651086286065,0.5501936125008567,0.5410869714207388,0.47366955657597154
EOS-3-29197,Cn1nc(-c2ccnnc2)nc1COc1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,SXZVVBZCDPJWFI-UHFFFAOYSA-N,3,1,0.437,56,415,462.477,3.018,6,0.367,0.64,1.0,0.3667243506270989,0.3333818792406278,0.14688849290658626,0.1608440134329381,0.2519596840518128
EOS-3-29198,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2F)cn1,SDLDDQVOQURGFG-UHFFFAOYSA-N,3,1,0.533,65,552,428.431,3.107,5,0.38,0.67,1.0,0.7611969707353848,0.7181653073812624,0.4280892330888904,0.35295730244671375,0.5651022034130628
EOS-3-29199,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccn(C)n5)cn4)n23)c(-c2ccccc2)n1,NANRTOCYUCMZHR-UHFFFAOYSA-N,3,1,0.303,30,321,445.49,4.019,6,0.404,0.65,0.924,0.07491775752175998,0.067464532931259,0.25881536563635116,0.25458330477691726,0.16394524021657186
EOS-3-29200,Fc1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)n2)c1,MGVNTHUOUDQXBI-UHFFFAOYSA-N,3,1,0.271,10,952,455.392,2.564,6,0.369,0.62,0.993,0.032468645055171,0.16775752175998904,0.28844835857720513,0.38850147351106845,0.2192939997258584
EOS-3-29201,Fc1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)ccn1,KHBSTFVPGSKHCK-UHFFFAOYSA-N,3,1,0.537,97,992,432.846,4.62,5,0.377,0.72,1.0,0.8345469810156946,0.7929973956548557,0.892947707490919,0.894832430950586,0.8538311287780138
EOS-3-29202,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)nn1,HKTTZRKCPQGWNR-UHFFFAOYSA-N,3,1,0.506,58,393,448.849,3.452,5,0.364,0.65,1.0,0.8247806867246933,0.9079997943938044,0.5633524090192584,0.5890960180933452,0.7213072270577753
EOS-3-29203,Fc1cc(-c2nnc3cncc(OCc4ncc(-n5cccn5)cn4)n23)ccc1Cl,AUHKCKJEIUOPIE-UHFFFAOYSA-N,3,1,0.538,73,756,422.811,3.139,5,0.429,0.64,1.0,0.5720478377081762,0.7801041738057707,0.5668305804948256,0.607386402576931,0.6315922486464258
EOS-3-29204,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)cn4)n23)cc1)N1CCCC1,AASQCZPBBLSIKI-UHFFFAOYSA-N,3,1,0.323,52,376,465.492,4.29,6,0.368,0.71,1.0,0.0930111027345624,0.085103831128778,0.034541840860804605,0.15524981152765405,0.09197664656294977
EOS-3-29205,CCOc1cc(C)c(C)cc1-c1nnc2cncc(-c3nnc(-c4cnccn4)n3C)n12,YRXVMIDWEATIOK-UHFFFAOYSA-N,3,1,0.369,50,974,427.472,3.059,5,0.421,0.66,1.0,0.07114831060242616,0.041318278390788846,0.060902268521691456,0.043776985813172506,0.05428646083201974
EOS-3-29206,Clc1ccccc1-c1noc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)n1,ZTUWAMOWKILZIK-UHFFFAOYSA-N,3,1,0.39,3,203,452.865,4.619,6,0.381,0.76,1.0,0.2663628263998355,0.42401137687615653,0.4572510451648276,0.5860376259337948,0.4334157185936536
EOS-3-29207,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2F)n(C)n1,NFCZQZCBUOAQTP-UHFFFAOYSA-N,3,1,0.483,36,610,451.853,3.057,5,0.401,0.6,1.0,0.5274227263381537,0.6074977725995476,0.24822664656294977,0.27527242820917003,0.41460489342745527
EOS-3-29208,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)nn1C,VSIOKJSIJYAWLN-UHFFFAOYSA-N,3,1,0.494,16,55,450.865,3.662,5,0.377,0.67,1.0,0.5426632855870057,0.5131330957439517,0.42084161469398945,0.41349119320128846,0.4725322973065589
EOS-3-29209,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)nc(-c5cncnn5)c4)n23)nc1,FHBROXZLASGKCP-UHFFFAOYSA-N,3,1,0.35,33,60,442.418,1.523,5,0.402,0.52,0.855,0.1928671783976424,0.1232437804125831,0.15614077170858748,0.11596189431841546,0.1470534062093071
EOS-3-29210,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc(C)n2)cn1,BRPWURCDHUUMLY-UHFFFAOYSA-N,3,1,0.442,18,531,458.913,3.93,5,0.352,0.71,1.0,0.6551555753546707,0.602486121581797,0.3395500651086286,0.3057278459324241,0.47572990199438014
EOS-3-29211,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cccnc5)n4)n23)nc1,BNGAOBNVXSTCNQ-UHFFFAOYSA-N,3,1,0.307,33,432,409.413,2.065,5,0.478,0.81,0.997,0.18439448975395792,0.05987423754369132,0.10406243574806387,0.06657357275032555,0.10372618394900966
EOS-3-29212,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)nc4)n23)cc1,CKONKSZFDVSOCF-UHFFFAOYSA-N,3,1,0.488,56,8,463.465,2.413,6,0.362,0.63,1.0,0.4693132753066959,0.21229696388184496,0.12065656911794942,0.0922400795010623,0.22362672195188815
EOS-3-29214,Cn1cncc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)n1,HQOPPJHXZCDBRC-UHFFFAOYSA-N,3,1,0.337,76,865,451.469,3.793,6,0.405,0.62,1.0,0.2370382427523816,0.27860496196285384,0.4711808649167295,0.4385408813652251,0.35634123774929755
EOS-3-29215,Fc1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1-c1cscn1,ZHFJQEYFSKCWEZ-UHFFFAOYSA-N,3,1,0.531,59,980,440.41,4.306,5,0.405,0.68,1.0,0.914459255705572,0.8353351380988281,0.8953207456651361,0.8893667329175519,0.883620468096772
EOS-3-29216,O=c1[nH]nc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1-c1ccccc1,UUJHTEVHHYSCCG-UHFFFAOYSA-N,3,1,0.347,93,689,431.459,3.999,6,0.455,0.7,0.975,0.12085360838873278,0.15228565554108697,0.4132684531560551,0.5606538277020081,0.31176538619697075
EOS-3-29217,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,BHVZQLCHYAXZDM-UHFFFAOYSA-N,3,1,0.37,63,688,407.384,3.078,5,0.546,0.85,0.999,0.22590980741553013,0.1847200328969913,0.3284815982454938,0.372472757179083,0.27789604893427455
EOS-3-29218,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ocnc5-c5ccccc5)n34)cn2)n1C,QWPUDDVTIWWQGV-UHFFFAOYSA-N,3,1,0.315,32,321,434.463,4.217,6,0.41,0.65,1.0,0.2554999657323007,0.09130628469604551,0.24109039819066547,0.23684977040641492,0.20618660475635664
EOS-3-29219,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)c2)nn1,CLXDFNBNOLVLOP-UHFFFAOYSA-N,3,1,0.32,9,764,436.504,4.377,6,0.408,0.66,1.0,0.039399287231855255,0.05988280446850799,0.4539099444863272,0.4608234528133781,0.25350387225001714
EOS-3-29220,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,CAGYJKORMCFOLY-UHFFFAOYSA-N,3,1,0.642,75,583,447.861,4.057,5,0.387,0.64,1.0,0.8167963127955589,0.852126310739497,0.7500942361729833,0.7613511753820849,0.795092008772531
EOS-3-29221,Cc1nc(C(F)(F)F)ncc1Cc1cncc2nnc(-c3ccc(C(F)(F)F)nn3)n12,KQULKYOIJNVCPG-UHFFFAOYSA-N,3,1,0.274,68,455,440.311,3.308,4,0.451,0.52,0.738,0.32937255842642726,0.36750394078541565,0.9383438420944418,0.7924148447673223,0.6069087965184017
EOS-3-29222,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cncc5F)n34)nc2)cn1,OKKCKIHKOVQMES-UHFFFAOYSA-N,3,1,0.457,18,559,450.384,3.077,5,0.389,0.6,1.0,0.8599307792474813,0.8353437050236447,0.6613066273730381,0.6456976903570695,0.7505697005003085
EOS-3-29223,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)cc(C)n1,MIQQFVXORQWAFD-UHFFFAOYSA-N,3,1,0.566,4,43,443.898,4.493,5,0.395,0.67,1.0,0.5452761976560894,0.6075063395243643,0.5891816873415119,0.5277311356315537,0.5674238400383798
EOS-3-29224,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)nc4)n23)c(-c2cccnn2)n1,LBSFPXVDRFYHKL-UHFFFAOYSA-N,3,1,0.244,99,286,449.442,1.599,6,0.386,0.61,0.714,0.08134295113426085,0.03479884860530464,0.016868274964018916,0.015043519978068673,0.03701339867041327
EOS-3-29225,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3csc(-c4cnccn4)n3)n12,ZJJAROGVKQEKRE-UHFFFAOYSA-N,3,1,0.529,73,540,439.863,4.076,5,0.407,0.72,1.0,0.6120639435268316,0.8491021862792132,0.4816496470426975,0.5704115550681927,0.6283068329792337
EOS-3-29226,c1ccc(Oc2ccccc2-c2nnc3cncc(-c4cccc(-c5c[nH]nn5)n4)n23)cc1,DTEYZAOTISAHHY-UHFFFAOYSA-N,3,1,0.322,30,960,432.447,4.431,6,0.429,0.69,0.999,0.10276026317593037,0.11047906243574807,0.44660235761770956,0.47621821670893016,0.2840149749845795
EOS-3-29227,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nn1,VCPWWPFBWPSUJA-UHFFFAOYSA-N,3,1,0.302,98,356,451.429,2.64,6,0.398,0.58,0.765,0.14850764169693648,0.19811870331025974,0.1261137002261668,0.20753375368377766,0.17006844972928517
EOS-3-29229,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cc1F,GQSHDGBJPZBXMY-UHFFFAOYSA-N,3,1,0.512,73,930,418.367,2.896,5,0.429,0.68,1.0,0.7039356452607772,0.722817147556713,0.5502021794256734,0.5145637721883353,0.6228796861078748
EOS-3-29230,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6F)nc5)n34)cc2)n(C)n1,PFAAUKKABTZDKD-UHFFFAOYSA-N,3,1,0.312,42,106,464.468,3.553,6,0.364,0.69,1.0,0.167629017887739,0.21717154410252895,0.20919573709821124,0.2191076691110959,0.20327599204989377
EOS-3-29231,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(F)ncn5)n4)n23)nc1,MIZURNXZHWPRAU-UHFFFAOYSA-N,3,1,0.39,7,296,444.39,1.25,5,0.377,0.59,0.827,0.43883215680899185,0.207422383661161,0.12612226715098349,0.08834212870947844,0.2151797340826537
EOS-3-29232,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,QGDPYXQABLABRT-UHFFFAOYSA-N,3,1,0.549,97,300,433.834,4.015,5,0.413,0.63,1.0,0.710026728805428,0.7042012199300939,0.652542663285587,0.680342334315674,0.6867782365841957
EOS-3-29233,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)c1,ALAVGIQFSMKCMW-UHFFFAOYSA-N,3,1,0.489,84,207,449.396,3.682,5,0.391,0.64,1.0,0.7612055376602015,0.6843602220546913,0.8544907819888973,0.8662531697621821,0.791577427866493
EOS-3-29234,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4cccnc4-c4cccnn4)n23)nc1,ISXCCANJZZSNHH-UHFFFAOYSA-N,3,1,0.366,6,622,448.45,3.231,6,0.391,0.61,1.0,0.32409533273935986,0.18472859982180798,0.21272531012267837,0.17390000685353985,0.2238623123843465
EOS-3-29235,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5nnccc5F)n34)c2)ccc1Cl,BUWNERNJGJGRFF-UHFFFAOYSA-N,3,1,0.381,46,160,447.861,4.323,5,0.396,0.69,1.0,0.540024672743472,0.5785587005688438,0.7299019943800973,0.7689928723185525,0.6543695600027414
EOS-3-29236,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)cc2F)nn1,OAWNYYVNTCRGDW-UHFFFAOYSA-N,3,1,0.329,3,474,462.452,3.61,6,0.387,0.6,1.0,0.28782297306558835,0.43739291343979164,0.24823521348776642,0.32735076416969366,0.32520046604071
EOS-3-29237,COc1nc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1ncccc1F,NZLXXHYPNAZLSZ-UHFFFAOYSA-N,3,1,0.406,49,662,446.446,3.017,5,0.392,0.65,0.999,0.3460866287437461,0.30927455280652455,0.17866321705160715,0.11113871564663148,0.23629077856212732
EOS-3-29238,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)n1,LWWITNBYIVSPNV-UHFFFAOYSA-N,3,1,0.527,75,583,443.898,4.227,5,0.388,0.68,0.999,0.7100352957302447,0.7228257144815297,0.4607806181892948,0.46398464807072853,0.5894065691179494
EOS-3-29239,COCc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nn5)n34)ccn2)o1,WQQWJRVSXOGGOB-UHFFFAOYSA-N,3,1,0.347,53,226,460.414,0.851,5,0.345,0.64,1.0,0.2094955794667946,0.06747309985607566,0.012430607908984991,0.004728942498800631,0.07353205743266397
EOS-3-29240,c1ccc(-c2cncnc2-c2nnc3cncc(-c4cccc(-c5c[nH]nn5)c4)n23)cc1,JUGKYZMXLUVATD-UHFFFAOYSA-N,3,1,0.256,30,220,417.436,3.7,6,0.466,0.7,1.0,0.051230210403673496,0.04852306216160647,0.40993591940237134,0.49445719964361595,0.2510365979028168
EOS-3-29241,Fc1cc(-c2nccnc2-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)c(F)cn1,KVZAUDMRNOIYDQ-UHFFFAOYSA-N,3,1,0.321,73,961,453.815,4.305,5,0.377,0.69,0.893,0.38743917483380164,0.45929854019601124,0.879771777122884,0.9235830306353231,0.662523130697005
EOS-3-29242,FC(F)c1ccc(COc2cncc3nnc(-c4cccnc4-c4ncccn4)n23)cn1,MAEBSZIEPZLFRT-UHFFFAOYSA-N,3,1,0.535,27,242,432.394,3.555,5,0.401,0.64,0.981,0.6889092591323418,0.5785672674936605,0.5668391474196423,0.46719724487697895,0.5753782297306558
EOS-3-29243,Fc1cc(-c2nnc3cncc(-c4ncnc(-c5cccs5)n4)n23)cc(C(F)(F)F)c1,CENHVZLPEONWIW-UHFFFAOYSA-N,3,1,0.321,29,243,443.389,4.53,5,0.381,0.72,0.859,0.2906586251799054,0.5086097594407512,0.9383524090192584,0.911777808237955,0.6623496504694675
EOS-3-29244,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)nc1,INLWDEQCQXYWSK-UHFFFAOYSA-N,3,1,0.537,75,263,448.849,3.452,5,0.389,0.59,1.0,0.8865482146528683,0.8456925502021794,0.47118943184154616,0.5178020697690358,0.6803080666164074
EOS-3-29245,Cc1nc(-c2cccc(-c3nnc4cncc(CCc5nccc(Cl)n5)n34)c2)ns1,XBXUQYWXQGNZOH-UHFFFAOYSA-N,3,1,0.388,85,921,434.916,3.847,5,0.388,0.7,1.0,0.20391851141114387,0.28372798300322116,0.06485162086217532,0.12054519909533273,0.16826082859296826
EOS-3-29246,Fc1cc(-c2ccnc(F)c2)cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)c1,KFEOSAQIGRQJDH-UHFFFAOYSA-N,3,1,0.617,11,919,448.408,4.287,5,0.361,0.7,1.0,0.8828901377561511,0.9033393872935371,0.9188283873620725,0.9105870056884381,0.9039112295250498
EOS-3-29247,CCc1nc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)ccc1-c1nccn1C,CALAJJSXBJBJNQ-UHFFFAOYSA-N,3,1,0.392,31,851,445.462,2.7,5,0.376,0.62,0.936,0.545284764580906,0.43295524638475774,0.04441950517442259,0.04007607429237201,0.26568389760811456
EOS-3-29248,Cc1ccc(-c2nccnc2COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nn1,HWRWJKXNKGEFAI-UHFFFAOYSA-N,3,1,0.454,89,398,479.504,2.818,6,0.374,0.74,1.0,0.3168305804948256,0.11048762936056473,0.041463916112672194,0.04378555273798917,0.12814191967651292
EOS-3-29249,COc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ncn(C)n5)cc4)n23)cc1Cl,GSMVSTSOXNXZSF-UHFFFAOYSA-N,3,1,0.554,15,320,462.901,3.265,5,0.363,0.66,1.0,0.6005157288739634,0.6402748269481187,0.2956103077239394,0.2221060927969296,0.4396267390857378
EOS-3-29250,COc1sccc1-c1ccc(NCc2cncc3nnc(-c4ccc(Cl)cn4)n23)nn1,RFEHPXBXEUAFMB-UHFFFAOYSA-N,3,1,0.347,54,60,450.915,3.979,5,0.414,0.65,1.0,0.10536460832019738,0.08166849427729422,0.19856418340072648,0.17659002124597353,0.1405468268110479
EOS-3-29251,Cc1nc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ncnn1C,PWPHIORODRISST-UHFFFAOYSA-N,3,1,0.421,31,773,431.435,2.446,5,0.377,0.67,0.997,0.5141782605715852,0.4374014803646083,0.11789801932698239,0.10447364813926394,0.2934878521006099
EOS-3-29252,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5cncc(Cl)c5)ccn4)n23)c1,WNUIGXZFAXTZRQ-UHFFFAOYSA-N,3,1,0.44,18,840,464.316,4.572,5,0.364,0.76,1.0,0.6948290041806593,0.6941779178945926,0.7168460009594956,0.7991570145980399,0.7262524844081968
EOS-3-29253,Clc1cc(-c2cnncn2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,FYOBCIMFYNGNDK-UHFFFAOYSA-N,3,1,0.5,37,639,465.304,3.967,5,0.347,0.72,1.0,0.7223631005414296,0.7759320814200534,0.592428551847029,0.6803509012404907,0.6927686587622506
EOS-3-29254,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)nc1,VDICHECGTOYYNH-UHFFFAOYSA-N,3,1,0.441,18,481,448.849,3.452,5,0.364,0.64,1.0,0.769909533273936,0.679622712631074,0.5332568021383044,0.5766482763347269,0.6398593310945103
EOS-3-29255,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,GIXPJAHJFVXRGW-UHFFFAOYSA-N,3,1,0.558,37,265,449.396,3.682,5,0.391,0.63,1.0,0.9437067370296758,0.930188129668974,0.84983037488863,0.8441162360359126,0.8919603694057981
EOS-3-29256,Cn1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)c(CF)c5)n34)c2)n1,KZTOVPCEBNWTPZ-UHFFFAOYSA-N,3,1,0.511,4,677,449.877,4.289,5,0.384,0.69,1.0,0.5426718525118224,0.727409019258447,0.7476612295250497,0.7055976286752107,0.6808349324926324
EOS-3-29257,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nn2)n(C)n1,IGBNUOJPXAQUBW-UHFFFAOYSA-N,3,1,0.477,22,706,453.293,4.389,5,0.398,0.74,1.0,0.5400332396682886,0.7228342814063464,0.529992803783154,0.5860461928586115,0.5947266294291002
EOS-3-29259,c1ccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)n2)cc1,ULUYFBRPXFKADB-UHFFFAOYSA-N,3,1,0.348,32,945,424.449,4.027,6,0.417,0.7,1.0,0.1622318552532383,0.1935011308340758,0.15614933863340416,0.21061784661777808,0.18062504283462408
EOS-3-29260,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ncon5)cn4)n23)ccc1Cl,LSGBLUUFEFNGFO-UHFFFAOYSA-N,3,1,0.506,7,212,420.82,3.172,5,0.422,0.72,1.0,0.6036426564320472,0.6993095058597766,0.30284079226920707,0.3370485230621616,0.48571036940579815
EOS-3-29261,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)c2)cn1,HWFVUQCTNPCLRZ-UHFFFAOYSA-N,3,1,0.396,46,720,432.394,3.204,5,0.417,0.58,1.0,0.6491501610581866,0.522231169899253,0.5924371187718457,0.5346960455075046,0.5746286238091974
EOS-3-29262,Cc1cc(-c2cnc(C)nc2C)cc(-c2nnc3cncc(OCCc4cncs4)n23)n1,HLLOAIILGQAYGZ-UHFFFAOYSA-N,3,1,0.407,31,840,444.524,3.647,5,0.391,0.67,1.0,0.34609519566856284,0.15229422246590363,0.0962322664656295,0.05584778287985745,0.16261736686998837
EOS-3-29263,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)s2)nn1,ANKJUXKCFPWCJN-UHFFFAOYSA-N,3,1,0.511,36,10,459.322,3.929,5,0.393,0.7,1.0,0.37365499280378317,0.6171269960934823,0.2991827153724899,0.45461243232129395,0.43614428414776235
EOS-3-29264,Cc1nc2nnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2c(=O)o1,PZXHFUPSBBWMGM-UHFFFAOYSA-N,3,1,0.309,8,42,438.411,1.854,6,0.401,0.63,1.0,0.1954972243163594,0.07476355287505997,0.0177506682201357,0.025666506750736756,0.07841948804057297
EOS-3-29265,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nc(C)nn6C)nc5)n34)cn2)n(C)n1,BCMOYQFGYQMTBK-UHFFFAOYSA-N,3,1,0.284,99,286,464.497,2.456,6,0.386,0.63,1.0,0.12373209512713317,0.06383215680899185,0.018513124528819137,0.010211774381468029,0.05407228771160305
EOS-3-29266,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1ccccn1,BCQNODCZOMMEBE-UHFFFAOYSA-N,3,1,0.436,95,493,450.865,3.396,5,0.391,0.63,0.992,0.4693218422315126,0.4054982523473374,0.41327702008087175,0.470212802412446,0.4395774792680419
EOS-3-29267,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncn6C)cn5)n34)cn2)n1,FIDZOMXQPGHFJR-UHFFFAOYSA-N,3,1,0.305,86,812,446.478,3.414,6,0.405,0.58,1.0,0.09528133781097937,0.05591631827839079,0.277465560962237,0.22810294016859708,0.16419153930505107
EOS-3-29269,Fc1cncc(F)c1COc1cncc2nnc(-c3cnc(Cl)c(-c4ccon4)c3)n12,MTLPHZLGODWLQF-UHFFFAOYSA-N,3,1,0.443,2,980,441.785,3.747,5,0.38,0.72,1.0,0.7285398533342471,0.7459735453361661,0.794796449866356,0.8121701733945583,0.7703700054828319
EOS-3-29270,Cn1cnc(-c2ncc(CF)cn2)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,IKPLFNDSIZZLFL-UHFFFAOYSA-N,3,1,0.541,16,32,450.865,3.684,5,0.389,0.64,1.0,0.792577616338839,0.8168391474196423,0.3028493591940237,0.38851004043588516,0.5751940408470976
EOS-3-29271,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)nn1,UUWXYOJWPTXPCI-UHFFFAOYSA-N,3,1,0.436,71,614,466.469,1.751,6,0.356,0.65,1.0,0.23134123774929752,0.1562178740319375,0.07770200808717703,0.05585634980467411,0.13027936741827154
EOS-3-29272,Cn1nc(-c2ccnnc2)nc1COc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,GSMIAJWBNJRKTI-UHFFFAOYSA-N,3,1,0.422,71,614,466.469,1.751,6,0.356,0.65,1.0,0.34839969844424645,0.24809814269069974,0.026257624563086834,0.01986669864985265,0.16065554108697142
EOS-3-29273,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ncn2)nn1,HYMXKXQYGXAPGM-UHFFFAOYSA-N,3,1,0.379,46,726,466.292,3.628,5,0.383,0.69,0.61,0.5580751833321911,0.4812298677266808,0.4067233225961209,0.48541909396203137,0.48286186690425603
EOS-3-29274,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)n1,JDVWMAJYFDOOLC-UHFFFAOYSA-N,3,1,0.534,11,848,428.883,4.523,5,0.37,0.76,1.0,0.859939346172298,0.8423257487492289,0.5797409361935439,0.642716400520869,0.7311806079089849
EOS-3-29275,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccn5)nn4)n23)cc1,GDAIGNATNDEZSF-UHFFFAOYSA-N,3,1,0.354,98,620,421.428,2.23,6,0.425,0.62,1.0,0.004257761633883901,0.021717154410252897,0.114916729490782,0.13560585292303476,0.06912437461448839
EOS-3-29276,Fc1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)F)cn5)n34)cn2)ccn1,PGFBHTOUUWFAPV-UHFFFAOYSA-N,3,1,0.376,85,81,433.397,4.311,5,0.384,0.68,1.0,0.3917997395654856,0.5222397368240697,0.9065519840997875,0.8853317113289014,0.6764807929545611
EOS-3-29277,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c(Cl)cn2)cn1,LEEYGNWRRXUONU-UHFFFAOYSA-N,3,1,0.478,16,788,478.875,3.057,5,0.397,0.71,1.0,0.5192755808375026,0.4637704749503118,0.6287094784456172,0.5639520937564252,0.5439269069974643
EOS-3-29279,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cnc(COC)nc4)n23)c(F)c1,YPQXNQSDCSHKPP-UHFFFAOYSA-N,3,1,0.418,90,133,409.381,2.019,4,0.514,0.78,0.999,0.6828524432869577,0.5500736755534233,0.26960969090535264,0.14260503049825235,0.4112852100609965
EOS-3-29280,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)n1C,LMHOBRHYBAJVLA-UHFFFAOYSA-N,3,1,0.693,43,11,448.889,4.872,5,0.383,0.77,1.0,0.7465646631485162,0.7042097868549105,0.8227331916935097,0.8012730450277569,0.7686951716811733
EOS-3-29281,Cn1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)ccn2)n1,XIDDHEWTDLHANR-UHFFFAOYSA-N,3,1,0.312,38,42,433.479,3.654,6,0.421,0.6,1.0,0.09771434445891303,0.04853162908642314,0.3657391542731821,0.31188746487560826,0.20596814817353162
EOS-3-29282,COCc1nccc(COc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)n1,OBPRUHJXLCMLAB-UHFFFAOYSA-N,3,1,0.435,92,36,429.444,2.102,5,0.383,0.63,1.0,0.20665992735247757,0.08835926255911178,0.15615790555822082,0.08835069563429511,0.13488194777602633
EOS-3-29283,COc1cc(F)c(-n2cc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)nn2)cn1,XLMKMVAPEUQOFB-UHFFFAOYSA-N,3,1,0.333,74,997,449.381,1.82,5,0.429,0.54,1.0,0.1786546501267905,0.28897950791583854,0.3774587074223837,0.31800424919470904,0.29077427866493044
EOS-3-29284,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1cccnc1,QDPSPRAJJBSFEJ-UHFFFAOYSA-N,3,1,0.694,91,955,459.456,4.762,5,0.349,0.8,1.0,0.9657665684325955,0.9160698375711055,0.922812007401823,0.8768932903844836,0.9203854259475018
EOS-3-29285,Cc1ccc(-c2cnnc(-c3nnc4cncc(CCc5ccc(Cl)cc5)n34)c2)nc1,VVFGIIUMCVJVFJ-UHFFFAOYSA-N,3,1,0.34,14,886,427.899,4.39,5,0.413,0.7,0.886,0.21770269344116236,0.2529298882873004,0.5129274895483518,0.5981426906997465,0.3954256904941402
EOS-3-29286,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cnn1,ICSKZRJYVIIEGV-UHFFFAOYSA-N,3,1,0.473,92,226,435.398,2.893,5,0.401,0.64,0.87,0.5452933315057227,0.47689500376944693,0.55021074635049,0.4230604482215064,0.49886488246179156
EOS-3-29287,Oc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)ccn2)nc1,WTHZCIRFPJSSKU-UHFFFAOYSA-N,3,1,0.289,38,608,444.458,4.078,6,0.433,0.58,1.0,0.22591837434034678,0.13011445411555067,0.5094750188472346,0.4639932149955452,0.3323752655746693
EOS-3-29288,Fc1ccc(Cl)nc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,HBXVAPRZEGXWIJ-UHFFFAOYSA-N,3,1,0.506,24,583,447.861,4.057,5,0.362,0.71,1.0,0.8711962853813995,0.8582773627578645,0.5468953464464396,0.5981512576245631,0.7186300630525667
EOS-3-29289,Cc1nc(COc2cncc3nnc(-c4cc(-c5cccnc5F)ncn4)n23)ccc1F,ACWIASKOQMLBFU-UHFFFAOYSA-N,3,1,0.447,46,238,432.394,3.204,5,0.39,0.66,0.759,0.5374545952984716,0.49019943800973204,0.523207799328353,0.47333972997052975,0.5060503906517716
EOS-3-29290,CCn1nccc1-c1nccnc1-c1nnc2cncc(-c3cccc(-c4cnccn4)c3)n12,FFAYTZJLSNYIFQ-UHFFFAOYSA-N,3,1,0.247,64,495,446.478,3.589,6,0.395,0.64,1.0,0.05638749914330752,0.010485915975601398,0.10651257624563087,0.142613597423069,0.0789998971969022
EOS-3-29291,OCCc1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4)n23)cn1,AVTVRRQMQXHXSU-UHFFFAOYSA-N,3,1,0.357,96,46,412.428,3.589,5,0.475,0.84,0.999,0.38506613665958467,0.5268658762250702,0.6553183469261874,0.6861764101158249,0.5633566924816668
EOS-3-29292,Fc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)nn2)c1,ALCKAVJPLOKXKW-UHFFFAOYSA-N,3,1,0.297,76,272,441.455,3.697,6,0.411,0.61,1.0,0.006013981221300802,0.024021657185936535,0.29198649852648895,0.3789921869645672,0.1752535809745734
EOS-3-29293,Fc1cccc(-c2cccc(CCc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)c1,FXKMFYUHHZFJSU-UHFFFAOYSA-N,3,1,0.398,14,886,430.874,4.826,5,0.374,0.79,1.0,0.38744774175861835,0.6402833938729354,0.7142159550407786,0.812178740319375,0.6385314577479269
EOS-3-29294,Cc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1F,RAYDRFBSFZTHRK-UHFFFAOYSA-N,3,1,0.576,75,583,427.443,3.712,5,0.408,0.67,1.0,0.8345555479405112,0.6796312795558906,0.4986721266534165,0.4357566307998081,0.6121538962374066
EOS-3-29295,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2F)c1,NQEHAURRBXXEFH-UHFFFAOYSA-N,3,1,0.511,35,846,427.443,3.712,5,0.408,0.63,1.0,0.8553646083201973,0.8552018367486807,0.5469039133712562,0.5109742306901515,0.6921111472825714
EOS-3-29296,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(F)c5)cn4)n23)cn1,ODJNCCYJDUDQJO-UHFFFAOYSA-N,3,1,0.373,82,845,413.376,1.943,5,0.441,0.72,1.0,0.13997498457953533,0.17196388184497294,0.23734665204578165,0.2221146597217463,0.19285004454800905
EOS-3-29297,FC(F)(F)c1nnc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4)n23)s1,JAKVOWQFCDGWAC-UHFFFAOYSA-N,3,1,0.444,92,52,457.401,3.093,5,0.392,0.65,1.0,0.4866955657597149,0.5684582962099924,0.4745390994448633,0.34333664587759577,0.4682574018230416
EOS-3-29298,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)c1,SRNYYKDPPYPAHH-UHFFFAOYSA-N,3,1,0.326,3,668,450.893,4.754,6,0.385,0.73,1.0,0.021999862929202932,0.19812727023507642,0.7221831951202796,0.7876944691933384,0.43250119936947434
EOS-3-29299,Fc1cc(-c2cc[nH]n2)ccc1-c1nnc2cncc(Cc3ccc(C(F)F)nn3)n12,AHIVSSAQMSLDQI-UHFFFAOYSA-N,3,1,0.31,14,476,422.374,3.639,5,0.465,0.61,1.0,0.3484082653690631,0.4997515591803166,0.786700705914605,0.7714173120416695,0.6015694606264136
EOS-3-29300,Cc1nc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1-c1ccccn1,AFTGKUDZXSWYAP-UHFFFAOYSA-N,3,1,0.449,46,980,431.406,3.809,5,0.418,0.61,1.0,0.7523987389486669,0.607514906449181,0.6378075526009184,0.6073949695017477,0.6512790418751285
EOS-3-29301,Fc1cc(-c2csnn2)cnc1Oc1cncc2nnc(-c3ccc(Cl)nc3)n12,QPQXGBKGPLMUED-UHFFFAOYSA-N,3,1,0.356,55,875,426.824,3.685,5,0.401,0.74,1.0,0.49923754369131657,0.6503923651566034,0.4851620862175314,0.5410955383455555,0.5439718833527517
EOS-3-29302,Cn1cc(-c2cncc3nnc(-c4nccnc4-c4ncc(F)cn4)n23)c(-c2ccccc2)n1,OPZXUGITHZQNIE-UHFFFAOYSA-N,3,1,0.299,39,495,450.441,3.245,6,0.402,0.6,1.0,0.07682818175587691,0.1371907340141183,0.12613083407580014,0.19585703515865946,0.13400169625111372
EOS-3-29303,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)n1,MJUKJNKUXXGQHQ-UHFFFAOYSA-N,3,1,0.505,15,561,444.886,3.622,5,0.366,0.66,1.0,0.7039442121855939,0.7801127407305873,0.2696182578301693,0.3023182098553903,0.5139983551504352
EOS-3-29304,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c(F)c1,PZMVLTUIFAFIKI-UHFFFAOYSA-N,3,1,0.337,64,27,467.443,3.989,6,0.387,0.68,1.0,0.16224042217805495,0.24295798780069905,0.5232163662531698,0.6104276608868481,0.38471060927969297
EOS-3-29305,OCc1ncc(-c2nnc3cncc(-c4cncc(-c5ccnc(F)c5)c4)n23)cc1F,FAEINSWPMKJNLW-UHFFFAOYSA-N,3,1,0.303,82,859,417.379,3.081,5,0.448,0.68,0.999,0.387456308683435,0.4593071071208279,0.7972037557398396,0.8012816119525735,0.611312195874169
EOS-3-29306,Fc1ncccc1-c1ncccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,BCDOFCRELQGTFW-UHFFFAOYSA-N,3,1,0.62,97,232,432.846,4.62,5,0.377,0.76,1.0,0.9601637996024946,0.9733482968953464,0.8189466109245426,0.8460866287437462,0.8996363340415324
EOS-3-29307,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5cccnc5Cl)n4)n23)c1,IDEMWEPKYOLAFQ-UHFFFAOYSA-N,3,1,0.298,10,827,472.835,2.474,6,0.351,0.69,0.895,0.0020474950311836063,0.1335412240422178,0.07336714412994312,0.22481324103899664,0.10844227606058529
EOS-3-29308,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cncc(F)c1,YZGSUXHJRGUORB-UHFFFAOYSA-N,3,1,0.483,95,493,416.42,2.742,5,0.42,0.75,1.0,0.46933040915632923,0.30928311973134126,0.35479062435748066,0.3498475087382633,0.37081291549585366
EOS-3-29309,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6F)nn5)n34)c(F)c2)CC1,GNOHLKYCFBSNKY-UHFFFAOYSA-N,3,1,0.31,74,997,473.447,2.995,6,0.39,0.74,1.0,0.0480090466726064,0.19813583715989308,0.16258309917072167,0.28117503940785415,0.17247575560276884
EOS-3-29310,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)cn5)cn4)n23)cc1,WWFZVZBHRUXXBW-UHFFFAOYSA-N,3,1,0.485,89,398,482.479,3.254,6,0.375,0.8,1.0,0.4693389760811459,0.2578216023576177,0.2734391062984031,0.2636299773833185,0.31605741553012134
EOS-3-29311,COc1nnc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ccnn1C,YWCWXPRMJLMBOP-UHFFFAOYSA-N,3,1,0.462,53,587,449.862,2.618,5,0.385,0.6,1.0,0.3293811253512439,0.362466588993215,0.1656072236310054,0.14514940716880267,0.25065108628606675
EOS-3-29312,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(CF)c5)n34)cnn2)o1,PSFHORJAWYYMPF-UHFFFAOYSA-N,3,1,0.5,53,226,452.837,3.642,5,0.38,0.66,0.774,0.7727794530875197,0.8246264820779933,0.3958261942293194,0.41983928449043934,0.603267853471318
EOS-3-29313,Clc1ncc(COc2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)s1,OZPOFNVRVUVUDK-UHFFFAOYSA-N,3,1,0.46,55,242,422.861,3.332,5,0.424,0.66,1.0,0.5665992735247756,0.5404958536083887,0.15319374957165377,0.185011308340758,0.361325046261394
EOS-3-29314,c1ccc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1,LXXQYOFRLKELKP-UHFFFAOYSA-N,3,1,0.459,67,611,448.45,3.007,6,0.408,0.58,1.0,0.532288739634021,0.3864111438558015,0.195145980398876,0.19860701802480982,0.3281132204783771
EOS-3-29315,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)cn1C,VBFSFJGIMGTCTJ-UHFFFAOYSA-N,3,1,0.297,76,368,445.49,4.019,6,0.404,0.62,0.999,0.11566205194983209,0.10396819957508054,0.2884569255020218,0.2545918717017339,0.19066976218216708
EOS-3-29316,CCn1cc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ccn2)c(C)n1,WCFRYERLIJAKNS-UHFFFAOYSA-N,3,1,0.421,92,329,447.89,3.401,5,0.364,0.69,1.0,0.3461037625933795,0.3864197107806182,0.11790658625179905,0.11114728257144815,0.24039433554931122
EOS-3-29317,Cn1nc(-c2nnc3cncc(Oc4ncccc4Cl)n23)cc1-c1ccc(Cl)cn1,SNPYRMMAOLADMC-UHFFFAOYSA-N,3,1,0.349,95,956,439.266,4.081,5,0.416,0.67,1.0,0.3896922760605853,0.41482763347268864,0.39205674730998563,0.507633130011651,0.42605244671372766
EOS-3-29318,Cc1ccc(-c2nncn2C)cc1-c1cncc2nnc(-c3ccc(-c4cccnn4)nc3)n12,YJDMNLQDHKXBLQ-UHFFFAOYSA-N,3,1,0.281,98,887,446.478,3.414,6,0.405,0.6,1.0,0.10764341032143102,0.07123397985059284,0.25882393256116787,0.24838085120964978,0.17152054348571039
EOS-3-29319,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)cc2)nc1,YQDJYSVSXSASAF-UHFFFAOYSA-N,3,1,0.354,69,479,427.471,4.977,6,0.395,0.79,1.0,0.12086217531354945,0.1523027893907203,0.637816119525735,0.6484305393735864,0.38985290590089783
EOS-3-29320,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)nc5)n34)cc2)nc1,BKVJUBNKYQPWAD-UHFFFAOYSA-N,3,1,0.343,69,484,427.471,4.977,6,0.395,0.79,1.0,0.110093550818998,0.14096018093345214,0.7117058460694949,0.7085874854362278,0.4178367658145432
EOS-3-29321,Fc1ccc(-n2cc(-c3nnc4cncc(-c5cc(F)cc(-c6cnco6)c5)n34)cn2)cc1,JTTHLEXZNFVOLC-UHFFFAOYSA-N,3,1,0.34,3,673,441.401,4.577,6,0.398,0.7,1.0,0.02521245973545336,0.12690185730930026,0.8620982112260983,0.8824874922897676,0.47417500514015487
EOS-3-29322,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)c(Cl)cn4)n23)cc1,MSRYGVFIUHNPBF-UHFFFAOYSA-N,3,1,0.537,4,22,452.305,4.473,5,0.391,0.71,1.0,0.5893358919882119,0.5785758344184772,0.780044205332054,0.794719347543006,0.6856688198204373
EOS-3-29323,c1ccc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)cn2)cc1,MCPVXVKLKWJTQG-UHFFFAOYSA-N,3,1,0.371,9,553,416.448,4.305,6,0.46,0.77,1.0,0.15404187512850387,0.10068706737029676,0.5166798026180522,0.5242186964567199,0.3239068603933932
EOS-3-29324,Cc1ocnc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,PPDWGUKGFSNGRB-UHFFFAOYSA-N,3,1,0.541,59,389,436.834,4.521,5,0.4,0.7,1.0,0.909995887876088,0.9033479542183538,0.7117144129943116,0.7114745390994449,0.8091331985470496
EOS-3-29325,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5cc(C(F)(F)F)ccn5)cn4)n23)cc1,YAHVMGFAMYXKBR-UHFFFAOYSA-N,3,1,0.516,27,343,479.422,3.733,5,0.392,0.79,1.0,0.8372369954081283,0.7845161400863546,0.9517082448084435,0.8810653827702009,0.8636316907682818
EOS-3-29326,Cc1cc(CCc2cncc3nnc(-c4cc(-c5ccc(F)cn5)nc(C)n4)n23)ccn1,ADEILZTWTFKRTK-UHFFFAOYSA-N,3,1,0.33,85,580,426.459,3.579,5,0.424,0.65,0.981,0.28236584195737097,0.25293845521211705,0.24453430196696593,0.24267527928174903,0.25562846960455077
EOS-3-29328,c1cncc(-c2ccc(-c3nnc4cncc(OCc5cc(-n6cccn6)ccn5)n34)cn2)c1,SSUUDUYGTXYFSN-UHFFFAOYSA-N,3,1,0.506,6,547,447.462,3.408,6,0.382,0.66,1.0,0.26895860461928583,0.21718011102734563,0.3883986704132685,0.33371598930847785,0.30206334384209443
EOS-3-29329,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)nc1,GFJRXVRBRQFGPI-UHFFFAOYSA-N,3,1,0.517,2,422,433.834,4.015,5,0.413,0.62,1.0,0.5863032006031115,0.6941864848194093,0.7501028030978,0.7831282982660545,0.7034301966965938
EOS-3-29330,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cc2Cl)nc1,OPIJARXBLFYQBA-UHFFFAOYSA-N,3,1,0.524,16,325,447.861,4.323,5,0.37,0.72,1.0,0.9437153039544925,0.9160784044959221,0.7375522582413817,0.7246247686930299,0.8304926838462066
EOS-3-29331,COc1cc(-c2nnc3cncc(OCc4ccc(F)s4)n23)ccc1-c1cn(C)cn1,CPXIMJQLNPWKOR-UHFFFAOYSA-N,3,1,0.484,4,248,436.472,3.98,5,0.401,0.67,1.0,0.6859194023713248,0.65040093208142,0.6140343362346652,0.4577650606538277,0.6020299328353094
EOS-3-29332,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnoc5)cn4)n23)cc1,MQTWJNKUJCLBBG-UHFFFAOYSA-N,3,1,0.338,38,818,420.436,3.909,6,0.426,0.68,1.0,0.17866321705160715,0.06748166678089233,0.4779830032211637,0.43854944829004183,0.29066933383592625
EOS-3-29333,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)nc2)cn1,WRAYFDSYPMTBMU-UHFFFAOYSA-N,3,1,0.306,38,714,420.436,3.909,6,0.426,0.68,1.0,0.11846343636488246,0.07477211979987664,0.533265369063121,0.4762267836337468,0.30068192721540676
EOS-3-29334,N#Cc1cnc(-c2sc(Cc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cc2F)cn1,UHEFZTZAUGBHRU-UHFFFAOYSA-N,3,1,0.371,85,647,457.454,2.405,5,0.423,0.54,0.999,0.18173017613597423,0.23764649441436503,0.23037317524501405,0.21645192241792885,0.21655044205332052
EOS-3-29335,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5)n34)cn2)nc1,IHOVHKKZDBFHFE-UHFFFAOYSA-N,3,1,0.289,38,762,444.502,4.624,6,0.394,0.7,1.0,0.1676375848125557,0.07810465355356042,0.49515112055376603,0.4419333835926256,0.29570668562812696
EOS-3-29336,Cn1nccc1-c1cnc(-c2nnc3cncc(-c4nc(F)cc(C(F)F)n4)n23)cn1,GWQRCIYSNDPFIF-UHFFFAOYSA-N,3,1,0.253,50,845,424.35,2.516,5,0.405,0.61,0.639,0.14286203824275237,0.24296655472551573,0.3621496127749983,0.33057192790076073,0.2696375334110068
EOS-3-29337,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cncs5)ccn4)n23)nc1,XQCGYILFEWOAJS-UHFFFAOYSA-N,3,1,0.478,18,367,419.445,3.465,5,0.416,0.7,1.0,0.5505191556438901,0.46807107120827907,0.3736035912548831,0.37561681858680007,0.4419526591734631
EOS-3-29338,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nn1,YLYZYZHUPQARPD-UHFFFAOYSA-N,3,1,0.42,36,706,420.383,3.712,5,0.428,0.7,1.0,0.6431790144609691,0.5595658282502913,0.6439843053937359,0.567207525186759,0.6034841683229388
EOS-3-29339,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)n1,ZYKQPQLDAVCJGK-UHFFFAOYSA-N,3,1,0.42,51,924,421.812,1.399,5,0.409,0.65,1.0,0.41575286135288875,0.45501507778767736,0.02522102666027003,0.03441333698855459,0.23260057569734766
EOS-3-29340,Cc1cnc(COc2cncc3nnc(-c4nc(C)c(-c5ncnn5C)cc4F)n23)nc1,JXMYKXQGOFPBIS-UHFFFAOYSA-N,3,1,0.365,31,924,432.423,2.107,5,0.411,0.59,0.994,0.38062846960455077,0.3092916866561579,0.03319683366458776,0.024689877321636626,0.18695171681173328
EOS-3-29341,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)nc4)n23)cc1)N1CCCCC1,OVLCOIJDMYLTKP-UHFFFAOYSA-N,3,1,0.367,52,376,466.57,5.208,6,0.364,0.89,1.0,0.051238777328490165,0.04132684531560551,0.008010074703584402,0.0572955931738743,0.039467822630388595
EOS-3-29342,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nc2)nn1,DPRQEHMHGXDJND-UHFFFAOYSA-N,3,1,0.325,32,572,461.464,4.215,6,0.384,0.67,0.981,0.24234973613871566,0.3771759989034336,0.5023045027756836,0.5277397025563704,0.4123924850935508
EOS-3-29343,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ncc(Cl)cn5)cs4)n23)nn1,OMUVDGJEMDRWRL-UHFFFAOYSA-N,3,1,0.432,53,587,437.876,3.036,5,0.408,0.61,0.739,0.36897745185388253,0.517587896648619,0.03857686244945514,0.05875197039270783,0.24597354533616614
EOS-3-29344,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)cc(Cl)n5)ns4)n23)cc1,VWXLCZMSLLIIEB-UHFFFAOYSA-N,3,1,0.373,74,837,466.889,3.524,5,0.403,0.65,1.0,0.20121136316907684,0.29440237132478925,0.2373552189705983,0.2842505654170379,0.2543048797203756
EOS-3-29345,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)s5)n34)cn2)n1,RCUMNMXEHCXOEZ-UHFFFAOYSA-N,3,1,0.267,86,968,451.479,2.927,6,0.394,0.62,1.0,0.05639606606812419,0.10069563429511343,0.06682201357000891,0.0665821396751422,0.07262396340209717
EOS-3-29346,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)[nH]5)n34)cn2)no1,KNZDXWIPOOIOJP-UHFFFAOYSA-N,3,1,0.322,86,407,457.845,3.045,6,0.391,0.67,0.327,0.1756990610650401,0.35300870399561374,0.10144952367898019,0.1552583784524707,0.1963539167980262
EOS-3-29347,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)nc1,SXYHUEUVXZYFGP-UHFFFAOYSA-N,3,1,0.411,41,318,464.464,4.58,6,0.368,0.78,1.0,0.47178054965389626,0.4856332670824481,0.6689825920087725,0.6194743334932493,0.5614676855595916
EOS-3-29348,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)cc1,KVJKOUCDHVHLOM-UHFFFAOYSA-N,3,1,0.338,93,289,416.448,4.101,6,0.43,0.73,1.0,0.0220084298540196,0.04495065451305599,0.4430556507436091,0.5109827976149681,0.2552493831814132
EOS-3-29349,CCn1cc(-c2nccnc2-c2nnc3cncc(-c4ccc(C(=O)COC)nc4)n23)cn1,FSPKNYBUAPKZTB-UHFFFAOYSA-N,3,1,0.264,50,974,441.455,2.356,5,0.35,0.65,1.0,0.04525049688163937,0.024030224110753205,0.03858542937427181,0.024698444246453292,0.03314114865327942
EOS-3-29350,N#Cc1cc(-c2ccccc2Cl)cc(-c2nnc3cncc(OCCc4cn[nH]c4)n23)c1,KXWJFLMPOWEJMM-UHFFFAOYSA-N,3,1,0.567,91,309,441.882,4.328,5,0.42,0.7,1.0,0.9379840312521417,0.934934206017408,0.8544993489137139,0.8781269275580837,0.9013861284353368
EOS-3-29351,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5cnc(F)cn5)s4)n23)cn1,XDRIUJIMTRTDQW-UHFFFAOYSA-N,3,1,0.483,7,390,437.435,3.87,5,0.412,0.67,0.999,0.7435491056130491,0.7886368309231718,0.5232249331779865,0.47914810499623056,0.6336397436776096
EOS-3-29352,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)nn1,KXLXBIWXBZHLOP-UHFFFAOYSA-N,3,1,0.406,31,481,445.874,3.017,5,0.363,0.65,0.984,0.6260280309780001,0.5451134260845727,0.22299705297786307,0.23685833733123157,0.40774921184291685
EOS-3-29353,COc1cc(-c2nnc3cncc(OCc4cccc(C)n4)n23)ccc1-c1ccccc1,CMBRFNKKAVTSKN-UHFFFAOYSA-N,3,1,0.529,1,347,423.476,4.749,5,0.392,0.82,1.0,0.4892656432047152,0.2735076416969365,0.6689911589335892,0.5411041052703721,0.49321713727640326
EOS-3-29354,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)no1,QRONXIULJYSQDK-UHFFFAOYSA-N,3,1,0.438,2,131,418.392,2.966,5,0.424,0.75,1.0,0.5478205743266397,0.48564183400726474,0.27747412788705367,0.21062641354259476,0.3803907374408882
EOS-3-29355,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1,BLDHIYWHPKRPAX-UHFFFAOYSA-N,3,1,0.554,15,161,415.432,3.347,5,0.423,0.73,1.0,0.8865567815776849,0.7135134672058118,0.6469827290795696,0.579997943938044,0.7067627304502775
EOS-3-29356,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cn2)n1,IPAQGXTYGOBSHF-UHFFFAOYSA-N,3,1,0.318,32,945,442.486,4.681,6,0.391,0.71,1.0,0.11567061887464876,0.10736070180248099,0.47454766636967993,0.4762353505585635,0.2934535844013433
EOS-3-29357,Cn1nc(-c2cc(F)cc(Cl)n2)nc1-c1cncc2nnc(-c3cc(F)ccc3F)n12,AVRIAHXOKZTUQG-UHFFFAOYSA-N,3,1,0.338,22,844,442.792,3.72,5,0.396,0.61,0.849,0.1817387430607909,0.38642827770543486,0.5924456856966623,0.7737218148173531,0.48358363032006035
EOS-3-29358,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ccccc4F)ncn3)n12,IJKRBNHFFWCUOI-UHFFFAOYSA-N,3,1,0.444,44,488,450.836,4.759,5,0.384,0.74,0.967,0.814217668425742,0.8318141319991775,0.9207902131450895,0.942747241450209,0.8773923137550544
EOS-3-29359,Fc1ccccc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,LCPYCXUCVNNZST-UHFFFAOYSA-N,3,1,0.529,34,210,450.836,4.759,5,0.384,0.76,1.0,0.9083938729353711,0.9715920773079295,0.862106778150915,0.902542663285587,0.9111588479199506
EOS-3-29360,COc1c(C(N)=O)ccc(-c2nnc3cncc(-c4nncc(-c5cc(F)cc(F)c5)n4)n23)c1C,DLKIPSVMMOAERH-UHFFFAOYSA-N,3,1,0.346,22,316,474.431,3.004,5,0.411,0.63,0.311,0.4252193132753067,0.4240199438009732,0.409944486327188,0.3628863683092317,0.40551752792817486
EOS-3-29361,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cc(C)c(Cl)nn5)c4)n23)nn1,KLOCSAJAIALVLE-UHFFFAOYSA-N,3,1,0.44,53,785,462.876,4.027,5,0.385,0.67,1.0,0.7553200603111507,0.6843687889795079,0.5367521074635049,0.5411126721951888,0.629388407237338
EOS-3-29362,FC(F)(F)c1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,DSZRODQRUNHSKU-UHFFFAOYSA-N,3,1,0.405,96,121,453.815,4.983,5,0.383,0.78,1.0,0.40252552943595366,0.7413645397847989,0.955589061750394,0.9443406894661093,0.760954955109314
EOS-3-29363,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)ccn1,FUPHZJFBEZKLEU-UHFFFAOYSA-N,3,1,0.618,11,352,446.873,4.662,5,0.353,0.75,1.0,0.9633935302583785,0.9748989102871634,0.8677952162291823,0.8727468987732163,0.9197086388869851
EOS-3-29364,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)cn1,WECLYLCWJMOJSE-UHFFFAOYSA-N,3,1,0.333,42,762,419.408,3.36,6,0.423,0.68,1.0,0.15136042766088684,0.13012302104036735,0.4067318895209376,0.38512610513330137,0.2683353608388733
EOS-3-29365,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5nnc(OC)s5)n4)n23)cc1,HNMLOHOKAIKBGB-UHFFFAOYSA-N,3,1,0.427,89,707,475.494,2.047,5,0.371,0.7,1.0,0.4275409499006237,0.20274484271126036,0.026266191487903504,0.005928311973134124,0.16562007401823045
EOS-3-29366,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,IFXDWTAIBNDULE-UHFFFAOYSA-N,3,1,0.518,72,22,423.795,3.608,5,0.395,0.7,1.0,0.927737989171407,0.8089404427386745,0.7246847371667466,0.7141302857926118,0.79387336371736
EOS-3-29367,Fc1cncc(-c2ncn(Cc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)n2)c1,BEKYVXVEINCNHX-UHFFFAOYSA-N,3,1,0.34,85,362,423.362,2.965,5,0.428,0.63,0.887,0.18723014186827497,0.2992598176958399,0.5599684737166747,0.6010554451374135,0.41187846960455077
EOS-3-29368,COc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(C#N)nc1,VNMJRRFVIAFSQY-UHFFFAOYSA-N,3,1,0.495,35,657,450.462,3.145,5,0.368,0.67,1.0,0.6798625865259407,0.5979799191282297,0.4886231238434651,0.34985607566307997,0.5290804262901788
EOS-3-29369,Cc1cnnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2C)n1,JITVSQMURYAITB-UHFFFAOYSA-N,3,1,0.29,99,754,448.454,2.204,6,0.394,0.57,0.815,0.04801761359742307,0.04495922143787266,0.011453978479884861,0.013989788225618532,0.02960515043519978
EOS-3-29370,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccn2)ccn1,IGXIINVEFDIEJM-UHFFFAOYSA-N,3,1,0.465,97,959,433.834,4.015,5,0.386,0.66,1.0,0.8463607703378795,0.9057895277911041,0.8015900212459736,0.7991655815228565,0.8382264752244534
EOS-3-29371,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc(-c2ncccc2F)n1,KARAGLUYUGUWHH-UHFFFAOYSA-N,3,1,0.464,58,132,466.839,3.591,5,0.35,0.69,0.79,0.8274535672674936,0.8423343156740456,0.5023130697005003,0.5860547597834281,0.6895389281063669
EOS-3-29372,Fc1cc(COc2cncc3nnc(-c4cnc(-c5cncnn5)nc4)n23)cnc1Cl,DKJZIKUEAOSELY-UHFFFAOYSA-N,3,1,0.444,55,435,436.798,2.2,5,0.378,0.61,1.0,0.7897248303748886,0.6504094990062367,0.31767013912685904,0.3594510314577479,0.529313874991433
EOS-3-29373,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)nn4C)n23)nc1,UADLTJRFKBSYDO-UHFFFAOYSA-N,3,1,0.242,99,813,439.447,1.178,6,0.396,0.62,1.0,0.02004660407100267,0.013544308135151806,0.014135425947501884,0.010734356795284764,0.01461517373723528
EOS-3-29374,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(C)n4)n23)c(C)n1,GSXJWFBNUAICDD-UHFFFAOYSA-N,3,1,0.434,31,986,442.487,2.493,5,0.374,0.65,1.0,0.30895757658830786,0.1483962716743198,0.011462545404701529,0.004977383318483997,0.1184484442464533
EOS-3-29375,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)cc1,UOVCMMWQHPUYAF-UHFFFAOYSA-N,3,1,0.329,38,983,420.436,3.909,6,0.426,0.66,1.0,0.2147642382290453,0.09744876978959632,0.37361215817969984,0.3305804948255774,0.25410141525597973
EOS-3-29376,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)cn2)cs1,ZYKDTOLXEISLFF-UHFFFAOYSA-N,3,1,0.299,70,191,441.505,3.89,6,0.405,0.66,1.0,0.04802618052223974,0.10736926872729764,0.20564046329929409,0.23388561441984784,0.14873038174216985
EOS-3-29377,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)ccn1,QGDDLIXBMGIGLQ-UHFFFAOYSA-N,3,1,0.404,18,503,449.396,3.682,5,0.365,0.66,1.0,0.6491587279830032,0.6307312727023507,0.7752809951339867,0.7809522993626208,0.7090308237954903
EOS-3-29378,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cc2)n1C,WEWGPGASEFVCPS-UHFFFAOYSA-N,3,1,0.303,38,725,435.451,3.612,6,0.413,0.6,1.0,0.18723870879309162,0.07811322047837709,0.2774826948118703,0.23098142690699747,0.19345401274758411
EOS-3-29379,Cc1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc(-c2cccnn2)n1,RCGBECMPBGYBAZ-UHFFFAOYSA-N,3,1,0.547,4,677,475.31,3.688,5,0.379,0.72,0.939,0.4744105955726133,0.5043262970324173,0.33581488588856145,0.2960986224384895,0.40266260023302036
EOS-3-29380,CCn1cc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)cn5)n34)c2)cn1,GWWVDDCIKYSJCO-UHFFFAOYSA-N,3,1,0.379,14,351,431.887,4.302,5,0.398,0.69,1.0,0.30117024192995684,0.3580289219381811,0.5265746007813036,0.5044205332054006,0.4225485744637105
EOS-3-29381,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc(C)n2)cn1,TXWFBBMZLAJICI-UHFFFAOYSA-N,3,1,0.436,18,851,459.901,3.325,5,0.352,0.69,1.0,0.5833476115413612,0.5544342402851072,0.2196302515249126,0.19586560208347611,0.3883194263587143
EOS-3-29382,Cc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccnc(F)c5)c4)n23)ccn1,JVCPUKBDCUDHCY-UHFFFAOYSA-N,3,1,0.529,75,278,427.443,3.712,5,0.382,0.71,1.0,0.8666129806044822,0.6941950517442259,0.6110787471729148,0.527748269481187,0.6749087622507025
EOS-3-29383,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cs2)n1,MNPBKVSEKZTLBH-UHFFFAOYSA-N,3,1,0.506,55,16,425.424,3.506,5,0.429,0.63,1.0,0.46200568843807827,0.40550681927215404,0.5400075388938387,0.5508618326365567,0.489595469810157
EOS-3-29384,COc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cccc(Cl)c1,HDBXYOSLONMWSW-UHFFFAOYSA-N,3,1,0.58,35,657,458.909,4.532,5,0.354,0.79,1.0,0.7841905969433213,0.8010588719073402,0.6439928723185525,0.6163902405592488,0.7114081454321157
EOS-3-29385,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cn1,GFQAPKLWMJNVAM-UHFFFAOYSA-N,3,1,0.516,65,265,450.865,3.396,5,0.391,0.61,1.0,0.8168048797203755,0.7413731067096155,0.4951596874785827,0.5044291001302172,0.6394416935096978
EOS-3-29386,Cc1c(Cl)ncnc1-c1cc(COc2cncc3nnc(-c4ccncc4)n23)ncn1,XDKQRYCBFWYBOI-UHFFFAOYSA-N,3,1,0.5,7,354,431.847,2.974,5,0.387,0.66,1.0,0.4966417654718662,0.5405044205332054,0.22300561990267972,0.22811150709341374,0.3720658282502913
EOS-3-29387,Cc1nnc(-c2cccc(-c3nnc4cncc(COc5cccc(C#N)n5)n34)c2)s1,KXOMSQQEUNXMLT-UHFFFAOYSA-N,3,1,0.33,14,351,426.465,3.464,5,0.42,0.66,1.0,0.37831539990405044,0.3956719895826194,0.24454286889178262,0.20151977246247688,0.3050125077102323
EOS-3-29388,Clc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cn1,CVQLYLYLDRBRGM-UHFFFAOYSA-N,3,1,0.296,30,757,463.892,4.421,6,0.353,0.75,0.995,0.2610513330135015,0.32434377355904326,0.3920653142348023,0.5109913645397848,0.37211294633678293
EOS-3-29389,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)cn1,BJKWSZPKPMXERB-UHFFFAOYSA-N,3,1,0.461,18,157,431.406,3.543,5,0.38,0.65,1.0,0.7869577136591049,0.6942036186690426,0.7375608251661984,0.7141388527174286,0.7332152525529436
EOS-3-29390,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cc5)n34)n2)cc1,QIEPZFBMFDNSBF-UHFFFAOYSA-N,3,1,0.364,83,289,451.44,4.984,6,0.378,0.77,1.0,0.051247344253306834,0.3042200671646906,0.8369714207388116,0.8893752998423686,0.5204535329997944
EOS-3-29391,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ncc4F)n23)nc1,OBHQEQXUKZIGPW-UHFFFAOYSA-N,3,1,0.366,33,915,475.419,2.255,5,0.393,0.64,0.999,0.5951528339387293,0.3286786375162772,0.38108251661983417,0.2752809951339867,0.39504874580220684
EOS-3-29392,Cn1nncc1-c1ccnc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,WMFCDIZIBIMCML-UHFFFAOYSA-N,3,1,0.418,46,62,419.836,2.609,5,0.427,0.65,1.0,0.37601089712836683,0.3243523404838599,0.3028579261188404,0.3337245562332945,0.3342364299910904
EOS-3-29393,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)nn4)n23)cc1,QJXZVWOFXKKVGF-UHFFFAOYSA-N,3,1,0.371,62,124,408.425,2.67,5,0.487,0.85,1.0,0.15685182646837093,0.0712425467754095,0.20564903022411074,0.16860564731683914,0.15058726269618258
EOS-3-29394,Cc1cccnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnn(C)c5)nn4)n23)cc1,QQFBIVRDQAEEPY-UHFFFAOYSA-N,3,1,0.384,67,622,461.489,4.145,6,0.377,0.73,1.0,0.35274312932629703,0.25783016928243435,0.38840723733808513,0.29610718936330616,0.3237719313275307
EOS-3-29395,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cn4)n23)cc1,UJKPNMVHPZVMSB-UHFFFAOYSA-N,3,1,0.372,74,845,410.401,1.46,5,0.467,0.78,1.0,0.14287060516756905,0.03764306764443835,0.12066513604276609,0.07963813309574395,0.09520423548762937
EOS-3-29396,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccccn6)n5)n34)cn2)nn1,WMLNYSKSHALQAI-UHFFFAOYSA-N,3,1,0.282,99,286,423.404,1.019,6,0.403,0.63,0.648,0.0075217599890343365,0.01791343979165239,0.01079432526900144,0.010220341306284696,0.011612466588993217
EOS-3-29397,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)cc1,XPCSHHDAMBGFEA-UHFFFAOYSA-N,3,1,0.269,30,543,420.396,2.755,6,0.419,0.64,0.98,0.09528990473579604,0.04496778836268933,0.09888801315879651,0.15526694537728736,0.09860316290864231
EOS-3-29398,Fc1cnc(F)c(F)c1COc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,FOCZKTDLJXVTMB-UHFFFAOYSA-N,3,1,0.494,73,300,435.369,3.64,5,0.389,0.65,1.0,0.8441505037351792,0.8089490096634911,0.8173360290590089,0.7809608662874374,0.8128491021862791
EOS-3-29399,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6c[nH]nn6)cn5)n34)cc2)n1C,AXTSMUYXHVGVPT-UHFFFAOYSA-N,3,1,0.419,56,197,465.481,2.654,6,0.393,0.62,1.0,0.39832773627578644,0.2944109382496059,0.1561664724830375,0.10244328695771365,0.23783710849153586
EOS-3-29400,CCn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nc1,IAVPHSXHCSOXPN-UHFFFAOYSA-N,3,1,0.299,98,882,449.482,2.927,6,0.394,0.59,1.0,0.05640463299294085,0.03480741553012131,0.09174319786169556,0.09033822219176205,0.06832336714412995
EOS-3-29401,c1ccc(-n2nnnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1,ZJXZSIOHSKTHIR-UHFFFAOYSA-N,3,1,0.298,30,298,418.424,2.891,6,0.429,0.68,1.0,0.019052840792269207,0.04133541224042218,0.11183263655678158,0.1877013227331917,0.08998055308066616
EOS-3-29402,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)n1,SHVXWOAQFSTSFS-UHFFFAOYSA-N,3,1,0.521,65,578,445.874,3.017,5,0.363,0.66,1.0,0.7435576725378658,0.8613871564663148,0.21273387704749502,0.23098999383181412,0.5121671749708725
EOS-3-29404,CCn1cc(-c2cnc(F)cn2)cc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,RWPSVWUICCXVPS-UHFFFAOYSA-N,3,1,0.402,50,243,436.401,4.208,5,0.41,0.67,0.989,0.20950414639161127,0.39111438558015216,0.8015985881707902,0.7194417791789459,0.5304147248303749
EOS-3-29405,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)s1,GYJWVFWDRFRBIJ-UHFFFAOYSA-N,3,1,0.615,97,214,418.457,4.336,5,0.423,0.8,1.0,0.8940014392433692,0.7759406483448701,0.5797495031183606,0.5508703995613734,0.7001404975669933
EOS-3-29406,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)cc1F,OSOPLELSMQZESS-UHFFFAOYSA-N,3,1,0.512,2,469,422.42,4.167,5,0.423,0.73,1.0,0.6828610102117744,0.7135220341306284,0.7800527722568706,0.7613597423069015,0.7344488897265437
EOS-3-29407,Clc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)n1,HSLKRBBJFMGUED-UHFFFAOYSA-N,3,1,0.261,86,421,454.845,2.334,6,0.364,0.63,0.418,0.019061407717085876,0.10737783565211431,0.0570043177301076,0.12277259954766637,0.07655404016174353
EOS-3-29408,Cc1ncc(-c2c(-c3cncc4nnc(-c5cnc(-c6ncco6)nc5)n34)cnn2C)cn1,JEIJHKFWWAKGPA-UHFFFAOYSA-N,3,1,0.262,86,780,437.427,2.402,6,0.404,0.58,1.0,0.05988280446850799,0.021725721335069562,0.05133301350147351,0.03883387019395518,0.04294385237475156
EOS-3-29409,c1ccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5ncccn5)n34)cn2)cc1,JPLQHDYKIKFNGS-UHFFFAOYSA-N,3,1,0.275,10,195,417.436,3.496,6,0.433,0.68,0.995,0.004266328558700569,0.014897882256185319,0.2303817421698307,0.27835652114317044,0.13197561853197176
EOS-3-29410,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccc2F)ns1,NMEAFLPQXFAKLQ-UHFFFAOYSA-N,3,1,0.488,73,196,454.878,3.78,5,0.395,0.7,1.0,0.6708673154684395,0.7320694263587143,0.2482437804125831,0.32101980673017616,0.49305008224247826
EOS-3-29411,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc(C)n2)cn1,DEESAONEZQCPBO-UHFFFAOYSA-N,3,1,0.598,75,159,441.47,4.021,5,0.393,0.64,1.0,0.7223716674662464,0.660021588650538,0.5057055719279008,0.4419419505174423,0.5825101946405319
EOS-3-29412,Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccncc5C#N)cn4)n23)ccc1Cl,AMIBRKUYBMPPIR-UHFFFAOYSA-N,3,1,0.333,96,680,423.867,4.749,5,0.415,0.76,1.0,0.3598022753752313,0.5086183263655678,0.8929562744157358,0.9036820642862038,0.6662647351106847
EOS-3-29413,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)nn2C)cn1,WTZUEVZAHIJMRG-UHFFFAOYSA-N,3,1,0.382,20,569,463.889,2.66,5,0.359,0.69,0.999,0.30387739017202386,0.26837605373175244,0.13181927215406758,0.1065554108697142,0.20265703173188954
EOS-3-29414,COc1cncc(CCOc2cncc3nnc(-c4cc(-c5cnc(C)s5)ccn4)n23)n1,GWSXSYJDQZXGMR-UHFFFAOYSA-N,3,1,0.389,18,840,446.496,3.038,5,0.372,0.65,1.0,0.3621153450757316,0.17645295044890685,0.0777105750119937,0.04008464121718868,0.16409087793845523
EOS-3-29415,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(C)nc5-c5ccc(F)cc5)n34)cc2)n1C,YCOHZAHCMOESDY-UHFFFAOYSA-N,3,1,0.385,9,98,464.508,4.707,6,0.378,0.76,1.0,0.19550579124117606,0.31436330614762525,0.5955469124802961,0.5672160921115756,0.4181580254951683
EOS-3-29416,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cccc(-c4cccnn4)c3)n12,MGXZLFJIXNZHPF-UHFFFAOYSA-N,3,1,0.477,13,145,418.819,4.833,5,0.416,0.81,1.0,0.682869577136591,0.8206342951134261,0.8824189568912343,0.9025512302104036,0.8221185148379138
EOS-3-29417,Cc1cc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(F)cc5F)c4)n23)ccn1,BYVNOPXOJKMOEB-UHFFFAOYSA-N,3,1,0.567,84,386,445.433,3.851,5,0.392,0.69,1.0,0.8441590706599958,0.8457011171269961,0.7401394695360154,0.7194503461037626,0.7873625008566926
EOS-3-29418,Clc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)cc1,JHDWYTXISGVBCK-UHFFFAOYSA-N,3,1,0.4,13,560,435.274,5.347,5,0.379,0.87,1.0,0.6090398190665479,0.7228428483311631,0.8227417586183263,0.8867195531492016,0.7603359947913098
EOS-3-29419,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)c(C)c5)ccn4)n23)n(C)n1,MRFTXOKZISKUHF-UHFFFAOYSA-N,3,1,0.394,4,662,445.914,4.436,5,0.398,0.75,0.999,0.2906671921047221,0.36751250771023236,0.5332739359879378,0.5076416969364677,0.42477383318483997
EOS-3-29420,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)c(F)c1,LEFZPHLCWQYOOL-UHFFFAOYSA-N,3,1,0.484,37,832,468.855,3.535,5,0.376,0.67,1.0,0.722380234391063,0.7459821122609828,0.6315451305599342,0.662805839215955,0.6906783291069838
EOS-3-29421,Clc1ccc(-c2cc(-c3nnc4cncc(Oc5cnccn5)n34)cnc2Cl)nc1,WPGUOVVBHRFZRG-UHFFFAOYSA-N,3,1,0.356,2,970,437.25,4.137,5,0.387,0.68,1.0,0.6403690631211021,0.7629446233979851,0.620125419779316,0.6888749914330752,0.6780785244328695
EOS-3-29422,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnnn5C)cn4)n23)cn1,PPXKGTJJIZCMGZ-UHFFFAOYSA-N,3,1,0.265,70,813,450.466,3.316,6,0.397,0.61,0.734,0.026540333082036873,0.028802001233637173,0.11184120348159825,0.09224864642587896,0.06485804605578782
EOS-3-29423,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5ccnnc5)c4)n23)cc1Cl,ADNADQNNUPQOPK-UHFFFAOYSA-N,3,1,0.645,13,15,436.809,4.972,5,0.395,0.73,1.0,0.9213213624837229,0.9434411623603591,0.9648584744020287,0.972226029744363,0.9504617572476184
EOS-3-29424,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)ccn2)nc1,UWUPNXXLEHVIKS-UHFFFAOYSA-N,3,1,0.622,75,583,435.9,3.98,5,0.398,0.67,1.0,0.7316410801178809,0.7366698649852649,0.26962682475498595,0.3402268521691454,0.5195411555068192
EOS-3-29425,Fc1ccc(-c2nnc3cncc(-c4ccnc(-c5nccnn5)c4)n23)c(-c2cnccn2)c1,ATHBKMSVETUQAP-UHFFFAOYSA-N,3,1,0.325,86,596,448.425,3.301,6,0.4,0.57,1.0,0.3089661435131245,0.38177643752998425,0.4208501816188061,0.4702213693372627,0.3954535329997944
EOS-3-29427,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)[nH]2)c1,SCXFZZASTGPQJT-UHFFFAOYSA-N,3,1,0.318,70,407,452.869,3.749,6,0.429,0.62,0.832,0.11010211774381468,0.23765506133918168,0.3583887327804811,0.4854276608868481,0.29789339318758135
EOS-3-29428,Cc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nn(C)cc5C)cn4)n23)nc1,KXVYPIQDYMVLCM-UHFFFAOYSA-N,3,1,0.242,86,114,460.505,3.723,6,0.391,0.63,0.615,0.0480347474470564,0.017922006716469055,0.12067370296758276,0.10448221506408059,0.07277816804879719
EOS-3-29429,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1F,MZAPERCNKWCHSI-UHFFFAOYSA-N,3,1,0.489,37,125,452.4,3.021,5,0.366,0.65,0.999,0.7612141045850181,0.75017990542115,0.6637396340209718,0.6540590089781372,0.7072981632513192
EOS-3-29430,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)n1,VCHCPSVJUSKVRD-UHFFFAOYSA-N,3,1,0.46,13,412,435.85,4.48,5,0.414,0.75,1.0,0.6065125762456308,0.7717514221095195,0.6410544171064355,0.6369851278185182,0.664075885820026
EOS-3-29431,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,LPOYTVJSYDBQIN-UHFFFAOYSA-N,3,1,0.5,46,160,433.834,4.015,5,0.386,0.68,0.999,0.6202453567267494,0.6600301555753547,0.7221917620450963,0.7510280309780001,0.6883738263313001
EOS-3-29432,COc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)n1,WIGCGNBXUYQHOI-UHFFFAOYSA-N,3,1,0.394,51,930,465.836,2.813,5,0.345,0.68,1.0,0.7316496470426975,0.8010674388321568,0.20565759714892742,0.18770988965800836,0.4815211431704475
EOS-3-29433,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)n5)c4)n23)c1F,LTOKOYFBAPVRQA-UHFFFAOYSA-N,3,1,0.528,37,125,448.437,3.19,5,0.394,0.63,0.999,0.694837571105476,0.6504180659310533,0.5599770406414913,0.4944657665684326,0.5999246110616133
EOS-3-29434,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ccn2)nc1,NAWWDTKXTMTTFF-UHFFFAOYSA-N,3,1,0.53,24,912,417.379,3.501,5,0.404,0.74,1.0,0.8865653485025016,0.6600387225001714,0.7546261394010007,0.7219347543005963,0.7557912411760674
EOS-3-29435,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(C)c5F)n34)c2)cn1,GKESPUUPOKVASM-UHFFFAOYSA-N,3,1,0.489,59,521,444.445,4.722,5,0.39,0.77,1.0,0.7897333972997053,0.6993180727845932,0.8759766294291002,0.809831402919608,0.7937148756082516
EOS-3-29436,Cc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncn(C)n1,ZARBTYBYMKFNTE-UHFFFAOYSA-N,3,1,0.442,31,578,447.89,2.96,5,0.365,0.68,1.0,0.48927421012953193,0.49511685285449936,0.14398430539373586,0.14515797409361936,0.3183833356178466
EOS-3-29437,c1cncc(-c2ccc(Cc3cncc4nnc(-c5nccnc5-c5cncs5)n34)nc2)c1,AHFAFAMLSCTPSQ-UHFFFAOYSA-N,3,1,0.302,80,967,449.503,3.753,6,0.392,0.66,1.0,0.13480912891508465,0.08167706120211089,0.1656157905558221,0.21371907340141183,0.14895526351860738
EOS-3-29438,c1ccc(-c2ncc(-c3nnc4cncc(Cc5ccc(-c6ncccn6)s5)n34)cn2)nc1,PTTWDATYNMMTAH-UHFFFAOYSA-N,3,1,0.333,80,557,449.503,3.753,6,0.392,0.66,1.0,0.08809368788979507,0.1007042012199301,0.10407100267288054,0.12278116647248304,0.1039125145637722
EOS-3-29439,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)cnn4)n23)cn1,VOJUKLYBRQYMMH-UHFFFAOYSA-N,3,1,0.488,92,85,415.392,2.46,5,0.427,0.71,1.0,0.5803663217051607,0.6258995271057501,0.23403981906654786,0.20152833938729353,0.41045850181618804
EOS-3-29440,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnncc5Cl)n34)cn2)nc1,XGYDKLRYVQSMDE-UHFFFAOYSA-N,3,1,0.522,65,262,445.874,3.017,5,0.388,0.61,1.0,0.7642382290453019,0.8670327599204989,0.2160407100267288,0.23686690425604826,0.5210446508121445
EOS-3-29441,N#CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cn4)n23)cc1,REAQNJPFQIJLFA-UHFFFAOYSA-N,3,1,0.376,14,357,481.907,3.141,5,0.365,0.77,1.0,0.19024569940374203,0.20275340963607702,0.4356795284764581,0.39169693646768555,0.3050938934959907
EOS-3-29442,Cc1ccc(-c2ccncc2-c2nnc3cncc(OCCc4cccc(F)c4)n23)nc1,RRJLKAVDFBTPJU-UHFFFAOYSA-N,3,1,0.581,84,159,426.455,4.317,5,0.402,0.69,1.0,0.7524073058734837,0.6942121855938592,0.6963796175724762,0.6685028442190392,0.7028754883147146
EOS-3-29443,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,SNUHTZIBXHUBIZ-UHFFFAOYSA-N,3,1,0.529,46,1,449.877,4.441,5,0.381,0.7,1.0,0.5720564046329929,0.47239736824069634,0.7663456925502021,0.7485264889315332,0.6398314885888562
EOS-3-29444,COc1ncc(-c2ccnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cc1F,LGQGOTDJWNHHDA-UHFFFAOYSA-N,3,1,0.352,52,582,481.491,3.955,6,0.391,0.81,1.0,0.33174559660064423,0.2529470221369337,0.3810910835446508,0.3560585292303475,0.33046055787814405
EOS-3-29445,Cn1nc(-c2ncc(F)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,VNMGPGVHJXZWOK-UHFFFAOYSA-N,3,1,0.387,53,105,438.814,2.143,5,0.406,0.57,0.993,0.41576142827770546,0.495125419779316,0.10145809060379686,0.1581025974916044,0.2926118840381057
EOS-3-29446,Cc1nc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)n1,ZYHJCVLZEXYCFQ-UHFFFAOYSA-N,3,1,0.494,36,610,451.853,3.057,5,0.375,0.64,1.0,0.4966503323966829,0.6215817969981495,0.3063189637447742,0.31510006168185867,0.43491278870536637
EOS-3-29447,Cn1ccnc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,HWDZDBMEQXTOPA-UHFFFAOYSA-N,3,1,0.556,36,534,418.848,3.214,5,0.432,0.68,1.0,0.6581539990405044,0.7759492152696867,0.37746727434720034,0.42617024192995684,0.5594351826468371
EOS-3-29448,Cn1cnc(-c2cccc(-c3nnc4cncc(Oc5cc(Cl)ccc5F)n34)c2)c1,YFIQUJKVKGIOGU-UHFFFAOYSA-N,3,1,0.524,13,145,420.835,4.777,5,0.418,0.81,1.0,0.6343979165238846,0.7413816736344322,0.8797803440477007,0.8824960592145843,0.7845139983551503
EOS-3-29449,Fc1cc(-c2nnc3cncc(OCc4nccc(-c5ccoc5)n4)n23)ccc1Cl,YMTMEHIGSFSLDS-UHFFFAOYSA-N,3,1,0.524,73,756,422.807,4.213,5,0.419,0.71,1.0,0.9185713796175725,0.9197022136933726,0.7326005756973477,0.7664484956480022,0.8343306661640737
EOS-3-29450,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)cn4)n23)ncc1Cl,PJEACMYDFXNNRR-UHFFFAOYSA-N,3,1,0.451,46,469,451.824,4.154,5,0.396,0.65,1.0,0.6708758823932561,0.7629531903228017,0.8095915290247413,0.8344270440682613,0.7694619114522651
EOS-3-29451,Clc1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(-c5cnccn5)nn4)n23)nc1,FCVJHXNPDOTNDS-UHFFFAOYSA-N,3,1,0.422,18,324,466.292,3.362,5,0.371,0.63,0.976,0.6202539236515661,0.7089130285792612,0.21604927695154547,0.36922589267356587,0.47861053046398466
EOS-3-29452,OCc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)cn1,GHIQMIUGVRSLBP-UHFFFAOYSA-N,3,1,0.512,15,426,426.44,2.152,5,0.417,0.64,1.0,0.5042834624083339,0.41953087519703924,0.2956188746487561,0.2426838462065657,0.3655292646151737
EOS-3-29453,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cn2)s1,TVEAUVCCSMNIIT-UHFFFAOYSA-N,3,1,0.449,55,617,420.433,3.126,5,0.4,0.72,1.0,0.6005242957987801,0.6402919607977521,0.2196388184497293,0.20754232060859434,0.41699934891371393
EOS-3-29454,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cn5)n34)nc2)n1,YGJFBPHLYJECRK-UHFFFAOYSA-N,3,1,0.242,70,813,421.428,2.434,6,0.46,0.65,0.726,0.07917551915564389,0.05211260365979028,0.16259166609553835,0.15003255431430335,0.11097808580631897
EOS-3-29455,FC(F)c1ccc(-c2nnc3cncc(-c4cccnc4-c4cccc(-c5nn[nH]n5)n4)n23)cc1,NHFKHVBJENJAHO-UHFFFAOYSA-N,3,1,0.293,38,750,468.431,4.033,6,0.402,0.65,1.0,0.2341340552395312,0.33339044616544444,0.6140429031594818,0.6278870536632171,0.45236361455691865
EOS-3-29456,Fc1cncc(-c2ncncc2COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,LAILRJQUMVMVRU-UHFFFAOYSA-N,3,1,0.548,73,756,451.824,4.154,5,0.396,0.66,1.0,0.9702556370365294,0.9659893084778288,0.8732523473373998,0.892048180385169,0.9253863683092317
EOS-3-29457,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cn5)n34)n2)n1C,HZFBJBLTWXRQDV-UHFFFAOYSA-N,3,1,0.433,53,128,417.408,2.403,5,0.429,0.66,0.998,0.4025340963607703,0.3771845658282503,0.06683058049482558,0.07610856007127681,0.23066445068878078
EOS-3-29458,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)n1,KOHOTPAAHQGDKU-UHFFFAOYSA-N,3,1,0.389,40,318,461.489,4.145,6,0.377,0.75,1.0,0.4552977863066274,0.24810670961551642,0.2847560139812213,0.20153690631211021,0.29742435405386886
EOS-3-29459,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C)nc5)n34)cc(Cl)n2)nc1,AUOWTIVKOJZRPI-UHFFFAOYSA-N,3,1,0.489,55,879,444.886,3.888,5,0.376,0.67,1.0,0.6948461380302926,0.7042183537797272,0.36215817969981495,0.3210283736549928,0.5205627612912069
EOS-3-29460,CCc1nc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1ccncc1,YHGYLKLPEAKRKK-UHFFFAOYSA-N,3,1,0.409,18,840,424.468,3.222,5,0.392,0.66,0.99,0.3941299431156192,0.2889880748406552,0.09624083339044616,0.0865173737235282,0.2164690562675622
EOS-3-29461,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)cn2)nc1,XZORVFDYLLNJNC-UHFFFAOYSA-N,3,1,0.471,55,930,436.357,3.035,5,0.387,0.63,1.0,0.8849204989377013,0.8582859296826811,0.6469912960043863,0.6163988074840655,0.7516491330272086
EOS-3-29462,Cc1ccc(Oc2cncc3nnc(-c4cnnc(-c5cnc(CO)cn5)c4)n23)c(F)c1,WPTWUTROYNMEQL-UHFFFAOYSA-N,3,1,0.381,55,778,430.403,2.77,5,0.448,0.58,0.999,0.6090483859913646,0.5979884860530464,0.4711979987663628,0.419847851415256,0.5245206805565075
EOS-3-29463,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cn2)cs1,YNISABMHWXXMQT-UHFFFAOYSA-N,3,1,0.529,58,981,421.511,3.696,5,0.413,0.74,1.0,0.5922572133506956,0.5312178740319375,0.09175176478651223,0.07964670002056062,0.3237183880474265
EOS-3-29464,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c1,WEFNVMRHCMCMHE-UHFFFAOYSA-N,3,1,0.494,55,879,420.885,4.542,5,0.415,0.78,1.0,0.7254900280995134,0.7413902405592488,0.6637482009457885,0.6917877458707422,0.7056040538688232
EOS-3-29465,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)cn1,ARZIBRFRIBVOIH-UHFFFAOYSA-N,3,1,0.314,70,887,467.884,3.154,6,0.384,0.64,0.936,0.20951271331642793,0.23248063874991434,0.18180727845932423,0.23389418134466453,0.21442370296758276
EOS-3-29466,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)cc1,JELURIMEWBUZDZ-UHFFFAOYSA-N,3,1,0.31,10,543,454.454,3.363,6,0.395,0.64,0.999,0.06910938249605922,0.2027619765608937,0.24109896511548215,0.3594595983825646,0.2181074806387499
EOS-3-29467,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)nc2)n(C)n1,DLICYXUKIMXNOJ-UHFFFAOYSA-N,3,1,0.34,32,750,463.48,4.158,6,0.387,0.67,0.993,0.17867178397642383,0.2837365499280378,0.29919128229730657,0.3529658693715304,0.2786413713933247
EOS-3-29468,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnnc6C)cn5)n34)n2)o1,BHIXEMCKOHJWTO-UHFFFAOYSA-N,3,1,0.263,76,387,448.45,3.372,6,0.395,0.6,0.999,0.09301966965937906,0.044976355287505994,0.10146665752861353,0.09225721335069563,0.08292997395654855
EOS-3-29469,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3ccc(-c4n[nH]c(Cl)n4)nc3)n12,GPQMTHYHNNCGMM-UHFFFAOYSA-N,3,1,0.31,47,7,459.836,3.216,6,0.409,0.6,1.0,0.27675450620245357,0.455023644712494,0.3695600027414159,0.4451288465492427,0.38661675005140156
EOS-3-29470,Cn1cncc1-c1ccc(F)c(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)c1,MVGOUQQMGGWJKD-UHFFFAOYSA-N,3,1,0.44,27,911,452.4,3.638,5,0.388,0.65,1.0,0.6090569529161812,0.617135563018299,0.8033548077582071,0.7056061956000275,0.6837883798231787
EOS-3-29471,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nc(C)n2)cc(CF)n1,HFFMWMUXKZGPDN-UHFFFAOYSA-N,3,1,0.435,18,531,456.485,3.746,5,0.365,0.67,0.999,0.47938797889109724,0.2992683846206566,0.277491261736687,0.19861558494962647,0.3136908025495168
EOS-3-29472,COc1cnc(-c2cncc3nnc(-c4cnc(-c5cncc(C)n5)nc4)n23)c(F)c1,NMVKPZSJTJBJOH-UHFFFAOYSA-N,3,1,0.314,50,489,415.392,2.556,5,0.436,0.71,1.0,0.43401754506202456,0.4503718045370434,0.18181584538414092,0.15267116715783702,0.30471909053526147
EOS-3-29473,Cc1cnc(-c2cncc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)c2)nn1,NKZWMZSGOYCTPA-UHFFFAOYSA-N,3,1,0.33,42,899,444.462,3.471,6,0.402,0.6,1.0,0.07683674868069358,0.08168562812692756,0.20197381947776027,0.22212322664656295,0.1456548557329861
EOS-3-29474,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cn4)n23)nc1,WQPUONQEFJGEOJ-UHFFFAOYSA-N,3,1,0.389,63,505,405.849,2.718,5,0.548,0.89,1.0,0.12374066205194983,0.15988451785347133,0.0917603317113289,0.19862415187444316,0.1435024158727983
EOS-3-29475,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)ccn1,WPLNLZFKFOLMDD-UHFFFAOYSA-N,3,1,0.447,46,238,448.849,3.74,5,0.387,0.62,0.77,0.5453018984305393,0.5451219930093893,0.5232335001028031,0.5277568364060037,0.5353535569871839
EOS-3-29476,N#Cc1ccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,WMQNKSQZGYTTFM-UHFFFAOYSA-N,3,1,0.585,43,372,457.856,4.491,5,0.383,0.72,1.0,0.9746333356178466,0.9873980535946817,0.909430470838188,0.9192995682269892,0.9476903570694263
EOS-3-29477,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,XFNWIKGIFVJHMD-UHFFFAOYSA-N,3,1,0.333,8,42,456.857,3.352,6,0.367,0.65,1.0,0.20666849427729422,0.3143718730724419,0.14689705983140292,0.24269241313138235,0.22765746007813034
EOS-3-29478,CCn1nc(-c2ccc(C)nn2)nc1-c1cncc2nnc(-c3ccc(Cl)cn3)n12,VPMSSNFRUQCZNT-UHFFFAOYSA-N,3,1,0.312,50,105,418.852,2.884,5,0.437,0.66,0.834,0.10765197724624768,0.18063360975944076,0.013458638886985128,0.035544171064354736,0.08432209923925708
EOS-3-29479,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)n6)cc5)n34)cn2)nn1,WPCHWFBOBPXXES-UHFFFAOYSA-N,3,1,0.286,38,725,466.896,3.759,6,0.361,0.69,1.0,0.07918408608046056,0.17646151737372354,0.3884158042629018,0.4134997601261051,0.2643902919607978
EOS-3-29480,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)cn1,NCNJDGLRMAYUPJ-UHFFFAOYSA-N,3,1,0.453,4,617,426.4,1.111,5,0.416,0.59,1.0,0.4069546295661709,0.15622644095675417,0.0629154958536084,0.035552737989171405,0.1654123260914262
EOS-3-29481,Cn1c(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4cncs4)n23)cc1=O,BDTSUHFHEZJKPM-UHFFFAOYSA-N,3,1,0.505,35,619,449.471,2.769,5,0.393,0.61,0.998,0.44348399698444246,0.367521074635049,0.3213025152491262,0.3305890617503941,0.36572416215475295
EOS-3-29482,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,UWWAZJOVLXQVIT-UHFFFAOYSA-N,3,1,0.543,59,293,450.836,4.759,5,0.359,0.77,1.0,0.9291429648413405,0.9160869714207388,0.917037900075389,0.9181858680008225,0.9201134260845727
EOS-3-29483,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)cc1,ZZXOHUGGVLWTOZ-UHFFFAOYSA-N,3,1,0.314,10,118,469.871,4.289,6,0.379,0.73,0.719,0.054528476458090606,0.2683846206565691,0.5537060516756905,0.7114831060242616,0.39702556370365294
EOS-3-29484,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C(F)c4ncc(F)cn4)n23)cc1,SJZHJVDJNZHLFJ-UHFFFAOYSA-N,3,1,0.429,63,306,407.384,2.672,5,0.546,0.79,1.0,0.22043554245767938,0.18473716674662463,0.28846549242683844,0.30882907271605786,0.25061681858680007
EOS-3-29485,CCOc1cc(F)ccc1-c1nnc2cncc(-c3nnc(-c4cn(C)nc4C)n3CC)n12,DACACECXBXIDMV-UHFFFAOYSA-N,3,1,0.374,36,985,447.478,3.316,5,0.394,0.68,0.841,0.23968542252073197,0.29927695154547324,0.04619285861147283,0.05439997258584059,0.15988880131587965
EOS-3-29486,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)cn2)nn1C,LYGOOXHGUJOHGR-UHFFFAOYSA-N,3,1,0.44,13,374,442.87,4.213,5,0.41,0.68,0.967,0.4841854567884312,0.6993266397094099,0.6689997258584058,0.6309283119731341,0.6208600335823453
EOS-3-29487,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ccn4)n23)cn1,DTYOBJLBEISXCP-UHFFFAOYSA-N,3,1,0.561,7,82,414.404,3.065,5,0.432,0.78,1.0,0.6461346035227195,0.6796398464807073,0.3810996504694675,0.3118960318004249,0.5046925330683298
EOS-3-29488,Cc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cscn1,MCSNJHQZCKZBAC-UHFFFAOYSA-N,3,1,0.478,49,367,433.472,3.774,5,0.402,0.65,0.741,0.6431875813857858,0.6307398396271674,0.29562744157357274,0.28425913234185457,0.4634534987320951
EOS-3-29489,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,UPTVLWHSDJCQGN-UHFFFAOYSA-N,3,1,0.5,4,208,439.863,4.076,5,0.407,0.68,1.0,0.6615550681927216,0.732077993283531,0.6410629840312522,0.6973733808512097,0.6830173565896787
EOS-3-29490,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccnn5)no4)n23)cn1,LVIRASDHWJJKGL-UHFFFAOYSA-N,3,1,0.379,99,502,454.414,1.401,6,0.356,0.68,1.0,0.32154238914399286,0.2429751216503324,0.012944623397985059,0.009843396614351312,0.1468263827016654
EOS-3-29491,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)nc1,MRTWTXUFPUZERM-UHFFFAOYSA-N,3,1,0.593,73,82,451.824,4.154,5,0.396,0.64,1.0,0.8599479130971147,0.8917140703173189,0.8033633746830238,0.8323881159618943,0.8468533685148378
EOS-3-29492,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)cc2)c1,DISIKTCRRBKZFQ-UHFFFAOYSA-N,3,1,0.275,32,170,433.5,5.039,6,0.387,0.82,1.0,0.0669847851415256,0.1162703036118155,0.6315536974847509,0.6568432595435543,0.36791301144541155
EOS-3-29493,CCn1cncc1-c1cc(-c2nnc3cncc(CCc4ccc(F)cn4)n23)ccc1F,IDBNSZALHWGIRK-UHFFFAOYSA-N,3,1,0.355,26,125,431.45,4.133,5,0.404,0.69,1.0,0.3527516962511137,0.3911229525049688,0.6256939209101501,0.6309368788979508,0.5001263621410459
EOS-3-29494,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)nc1,LZVLILPIXXRGDQ-UHFFFAOYSA-N,3,1,0.5,40,763,465.452,3.752,6,0.395,0.64,1.0,0.8811167843191008,0.660047289424988,0.5057141388527174,0.46400178192036184,0.6277199986292921
EOS-3-29495,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)ncc1F,ROIDBPKQFXKCIV-UHFFFAOYSA-N,3,1,0.535,4,208,466.839,3.857,5,0.384,0.68,1.0,0.7192875745322459,0.7366784319100815,0.5861061613323282,0.6104362278116647,0.6631270988965801
EOS-3-29496,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cncc(Cl)c1F,QEDOOAOPVHIWTK-UHFFFAOYSA-N,3,1,0.477,95,493,450.865,3.396,5,0.391,0.66,1.0,0.4575166198341443,0.4101329586731547,0.5300013707079707,0.5606623946268248,0.48957833596052364
EOS-3-29497,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCc4cc(Cl)cc(C#N)c4)n23)cn1,SWDFTZBTVKJPRP-UHFFFAOYSA-N,3,1,0.483,97,16,454.881,4.056,5,0.39,0.68,1.0,0.7841991638681379,0.7413988074840655,0.7427952162291823,0.7272719484613803,0.7489162840106915
EOS-3-29498,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)c1,FOQOBNDWQFDZPB-UHFFFAOYSA-N,3,1,0.402,7,905,449.425,3.376,5,0.372,0.67,0.936,0.38746487560825166,0.3196233979850593,0.3958347611541361,0.26942121855938594,0.3430860633267082
EOS-3-29499,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5C)n34)cn2)n1,VMCYMQRVHUNGCY-UHFFFAOYSA-N,3,1,0.511,65,579,424.468,3.277,5,0.409,0.65,1.0,0.5299499691590707,0.5043348639572339,0.15320231649647043,0.10880851209649785,0.3240739154273182
EOS-3-29500,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cnc(-c5ncccn5)cc4F)n23)n1,LQDYJVRTQHLQDV-UHFFFAOYSA-N,3,1,0.433,73,262,450.384,3.077,5,0.364,0.66,1.0,0.8168134466451923,0.8582944966074978,0.49868069357823314,0.5242272633815366,0.674503975053115
EOS-3-29501,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2Cl)cn1,PITGRHHKBBLGIA-UHFFFAOYSA-N,3,1,0.625,35,111,446.873,4.662,5,0.353,0.76,1.0,0.9315074360907408,0.9581334384209444,0.8797889109725173,0.8838410664108012,0.913317712973751
EOS-3-29502,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nc1,NABJDJSGTKGMIP-UHFFFAOYSA-N,3,1,0.468,18,692,447.861,4.057,5,0.362,0.67,1.0,0.7869662805839216,0.7459906791857994,0.6853882530326914,0.7166489616887122,0.7337485436227811
EOS-3-29503,Cn1nc(-c2ncccn2)cc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,QYLJBOIJZYHBOY-UHFFFAOYSA-N,3,1,0.427,31,954,433.863,2.652,5,0.376,0.65,1.0,0.36673291755191556,0.30930025358097457,0.07542320608594338,0.10656397779453088,0.21450508875334112
EOS-3-29504,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1-c1nccn1C,PTUONRBPKRGSAM-UHFFFAOYSA-N,3,1,0.473,16,375,449.421,3.453,5,0.367,0.66,1.0,0.7954475361524227,0.5933966143513124,0.6909910218627922,0.5476149681310397,0.6568625351243917
EOS-3-29505,COc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)c1,CDXCGOIYMSBQSK-UHFFFAOYSA-N,3,1,0.478,16,353,449.421,3.453,5,0.367,0.66,1.0,0.857566307998081,0.780121307655404,0.7168545678843122,0.5860633267082448,0.7351513775615105
EOS-3-29506,CC(C)(O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cnco5)nc4)n23)cn1,UVUKRFOGDYHHPV-UHFFFAOYSA-N,3,1,0.347,85,290,413.441,3.055,5,0.467,0.76,0.995,0.2663713933246522,0.14462682475498595,0.5094835857720512,0.2811836063326708,0.30041635254609
EOS-3-29507,Cn1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccnc(CF)c5)c4)n23)cn1,PFHWMOFNZMJING-UHFFFAOYSA-N,3,1,0.494,75,329,430.447,3.073,5,0.391,0.64,1.0,0.4365019532588582,0.28899664176547185,0.35839729970529777,0.2842676992666712,0.34204089849907476
EOS-3-29508,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)nc4)n23)ccc1Cl,OQTJHPZUAIUABJ-UHFFFAOYSA-N,3,1,0.517,73,665,463.86,4.023,5,0.372,0.69,1.0,0.9506031115070934,0.9270355013364403,0.6909995887876088,0.6339181687341512,0.8006390925913235
EOS-3-29509,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnn(C)n5)n4)n23)cn1,LXKLKLDOSCXJBS-UHFFFAOYSA-N,3,1,0.337,50,974,412.417,1.403,5,0.469,0.71,0.313,0.12945480090466727,0.06384072373380852,0.03859399629908848,0.01692824343773559,0.06220444109382496
EOS-3-29510,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(Cl)ncn5)cc4)n23)cc1,BMAWOJCULUUINU-UHFFFAOYSA-N,3,1,0.379,62,916,481.947,4.385,6,0.361,0.88,1.0,0.26637996024946886,0.24298368857514907,0.42809780001370706,0.5044376670550339,0.36047477897333974
EOS-3-29511,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cc4)n23)cc1,XMVYYNLCEOGXNB-UHFFFAOYSA-N,3,1,0.398,62,740,408.425,2.333,5,0.473,0.84,1.0,0.2012199300938935,0.03765163456925502,0.377475841272017,0.302326776780207,0.2296685456788431
EOS-3-29513,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)ncn1,GJNMHTOQRRRMRH-UHFFFAOYSA-N,3,1,0.417,2,422,448.849,3.718,5,0.4,0.63,1.0,0.7699181001987526,0.6993352066342265,0.7089986978274279,0.6773610444794737,0.7139032622849701
EOS-3-29514,COc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,CKITVJVJLSEHFM-UHFFFAOYSA-N,3,1,0.586,11,275,442.454,4.018,5,0.376,0.69,1.0,0.8194434925639092,0.6843773559043246,0.4745562332944966,0.4261788088547735,0.601138972654376
EOS-3-29515,OCc1cc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ncc4F)n23)ccc1Cl,MURYRTYIQFRGPN-UHFFFAOYSA-N,3,1,0.484,16,772,464.848,2.902,5,0.403,0.63,1.0,0.8487509423617299,0.8491107532040298,0.7523644712494003,0.7459564114865328,0.7990456445754233
EOS-3-29516,FC(F)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5cccc(C(F)F)c5)n4)n23)nc1,KSEAEPGVGYGPCA-UHFFFAOYSA-N,3,1,0.277,27,315,440.364,4.514,5,0.404,0.72,0.283,0.1872472757179083,0.31963196490987594,0.9262559111781234,0.9171578370228223,0.5875732472071825
EOS-3-29517,Cn1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)cc1F,ZQZOSBKOIGXCPJ-UHFFFAOYSA-N,3,1,0.5,89,398,484.495,3.197,6,0.378,0.83,0.994,0.4388407237338085,0.20277054348571036,0.2230141868274964,0.21063498046741141,0.2688151086286067
EOS-3-29518,N#Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cc1,IQHMOVMGKUDOII-UHFFFAOYSA-N,3,1,0.531,57,417,424.851,5.171,5,0.395,0.86,1.0,0.9277465560962237,0.9659978754026455,0.9288688232472072,0.9367932287026249,0.9398516208621753
EOS-3-29519,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,AVNJMGXOWBJGNQ-UHFFFAOYSA-N,3,1,0.58,59,153,450.836,4.759,5,0.359,0.79,1.0,0.8773216366253169,0.8521348776643136,0.9426530052772257,0.9466537591666095,0.9046908196833664
EOS-3-29520,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1Cl,QOGXPEPBVNEMJA-UHFFFAOYSA-N,3,1,0.558,37,619,467.32,3.91,5,0.374,0.7,1.0,0.6769155643890069,0.7366869988348982,0.5166883695428689,0.6074035364265643,0.6344236172983345
EOS-3-29521,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cc(F)cc(F)c5)n4)n23)nc1,JHBHPLGKLHJRSE-UHFFFAOYSA-N,3,1,0.27,10,871,456.42,3.113,6,0.401,0.57,0.844,0.02654890000685354,0.1409687478582688,0.4395860461928586,0.48228359947913096,0.27234682338427796
EOS-3-29522,Fc1cnc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)nc1-c1cnccn1,XOAYKGQXNIQUOS-UHFFFAOYSA-N,3,1,0.38,65,324,467.827,2.986,5,0.371,0.63,0.429,0.7316582139675142,0.6403005277225687,0.2956360084983894,0.4069374957165376,0.5186330614762524
EOS-3-29523,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)nc4)n23)cc1,ZUCRIBGVPDJVSX-UHFFFAOYSA-N,3,1,0.549,24,805,414.381,3.119,5,0.445,0.76,1.0,0.48670413268453155,0.06384929065862519,0.4319272154067576,0.25749605921458435,0.30999417449112465
EOS-3-29525,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)nc2F)s1,QYTIMEXEXILTHF-UHFFFAOYSA-N,3,1,0.415,53,237,452.45,3.574,5,0.373,0.7,0.997,0.4717891165787129,0.49513398670413267,0.22302275375231306,0.21372764032622849,0.3509183743403468
EOS-3-29526,COc1ncc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1ccnn1C,BVIPSIJNTRTZCU-UHFFFAOYSA-N,3,1,0.505,65,657,446.446,2.751,5,0.376,0.63,1.0,0.4411880611335755,0.3333990130902611,0.3621667466246316,0.2514563772188335,0.3470525495168254
EOS-3-29527,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)cnn2)nc1,YRGJXLYFIZNCEZ-UHFFFAOYSA-N,3,1,0.444,53,602,433.382,2.333,5,0.398,0.58,0.984,0.6551641422794874,0.6504266328558701,0.2991998492221232,0.3433452128024124,0.4870339592899733
EOS-3-29528,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)ccn1,ZKNLYIWUGRKCCN-UHFFFAOYSA-N,3,1,0.478,27,343,449.396,4.299,5,0.357,0.72,1.0,0.8463693372626961,0.8613957233911316,0.9094390377630046,0.8711791515317662,0.8720958124871496
EOS-3-29529,Fc1cccnc1-c1ccnc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)c1,WEVRPLDMTKEPKX-UHFFFAOYSA-N,3,1,0.433,59,692,450.836,4.759,5,0.384,0.72,1.0,0.7612226715098348,0.7459992461106162,0.9114094304708382,0.9287231855253238,0.8368386334041533
EOS-3-29530,Fc1ccc(Cl)cc1-c1nnc2cncc(OCc3nnc(-c4cncnn4)s3)n12,MUJUQGFPNQIZAR-UHFFFAOYSA-N,3,1,0.472,53,820,441.839,2.866,5,0.405,0.65,1.0,0.553072099239257,0.679648413405524,0.1594647385374546,0.3088376396408745,0.4252557227057775
EOS-3-29531,FCc1cc(-c2cc(F)ccn2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,ZSUHMKBZYWFEMB-UHFFFAOYSA-N,3,1,0.442,18,181,445.433,3.873,5,0.376,0.63,1.0,0.6675347817147557,0.4902080049345487,0.5701631142485094,0.5704201219930094,0.5745815057227058
EOS-3-29533,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ncon5)ccc4Cl)n23)c(F)c1,BDCAXGZKNIONFN-UHFFFAOYSA-N,3,1,0.494,73,526,441.785,3.747,5,0.406,0.65,1.0,0.7465732300733329,0.7967240079501062,0.7326091426221644,0.7786392296621205,0.763636402576931
EOS-3-29534,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCc5cncnc5Cl)n34)cc2)cc1,AMYPVCCBKSDIDH-UHFFFAOYSA-N,3,1,0.59,1,881,448.845,4.745,5,0.346,0.79,1.0,0.9772376807621136,0.9434497292851758,0.8663645397847989,0.869637105064766,0.9141722637242136
EOS-3-29535,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)nc(C)n5)n34)cc2)nn1,MBCTVAGGPIMKCD-UHFFFAOYSA-N,3,1,0.516,72,889,442.458,3.416,5,0.369,0.69,1.0,0.8417260640120622,0.8491193201288465,0.2774998286615037,0.22482180796381332,0.5482917551915564
EOS-3-29536,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nn1C,JRZASUXMHOSAIT-UHFFFAOYSA-N,3,1,0.432,31,235,449.906,2.904,5,0.367,0.66,0.999,0.2582499485984511,0.15989308477828798,0.09624940031526283,0.10026728805428003,0.15366493043657048
EOS-3-29537,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)nc(C)n2)c1,LZPFUQGECXKMPI-UHFFFAOYSA-N,3,1,0.402,46,500,446.421,3.512,5,0.404,0.61,1.0,0.5322973065588377,0.4680796381330957,0.5332825029127545,0.4702299362620794,0.5009723459666917
EOS-3-29538,Cn1nnnc1-c1cccc(Oc2cncc3nnc(-c4ccc(C(C)(F)C#N)cc4)n23)c1,PWIAIYOFHLMFPK-UHFFFAOYSA-N,3,1,0.549,61,941,441.43,3.482,5,0.407,0.68,1.0,0.614788225618532,0.6357943252690015,0.7972123226646562,0.6917963127955589,0.6848977965869372
EOS-3-29539,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(C)cs4)n23)cc1Cl,YJFKOKQFNKRKAQ-UHFFFAOYSA-N,3,1,0.517,36,610,452.931,4.067,5,0.383,0.74,1.0,0.3317541635254609,0.5222483037488863,0.08954149818381194,0.1205537660201494,0.2660244328695771
EOS-3-29540,Fc1cccnc1-c1cnnc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)n1,MUUGCAMPIDOSPI-UHFFFAOYSA-N,3,1,0.346,38,186,437.398,3.499,6,0.408,0.57,0.999,0.30897471043794117,0.36247515591803164,0.3248834898224933,0.4037248989102872,0.3500145637721883
EOS-3-29541,Cn1cnc(COc2cncc3nnc(-c4cccc(-c5ncc(Cl)nn5)c4)n23)n1,FYVNQOMAGQOYMM-UHFFFAOYSA-N,3,1,0.448,36,404,420.824,2.004,5,0.42,0.62,1.0,0.35276026317593034,0.4240285107257899,0.05890617503940786,0.07611712699609348,0.22795301898430542
EOS-3-29543,COc1cc(-c2nnc3cncc(OCc4cnnc(-c5cncn5C)c4)n23)ccc1C(F)F,VYPXYVJHESSOOT-UHFFFAOYSA-N,3,1,0.479,36,51,464.436,3.507,5,0.36,0.72,0.7,0.623115276540333,0.4283548077582071,0.7588753341100678,0.5800065108628607,0.5975879823178671
EOS-3-29544,Cn1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccs5)n34)c2)c1F,XZZXYMQTTSVWLU-UHFFFAOYSA-N,3,1,0.563,87,227,421.461,3.409,5,0.418,0.7,0.999,0.7223888013158797,0.5887362072510451,0.33235384826262765,0.3057364128572408,0.4873038174216983
EOS-3-29545,Cc1nccn1-c1ccc(-c2cncc3nnc(-c4c(-c5cccc(F)c5)cnn4C)n23)cn1,BFMOHONPSSCHJT-UHFFFAOYSA-N,3,1,0.308,42,151,451.469,3.887,6,0.404,0.61,1.0,0.003503872250017134,0.06385785758344185,0.3958433280789528,0.41985641834007265,0.2207653690631211
EOS-3-29546,FC(F)Oc1cc(Cl)cnc1COc1cncc2nnc(-c3cccc(Cl)n3)n12,AKENBYSJICRZCG-UHFFFAOYSA-N,3,1,0.43,68,244,439.209,4.069,4,0.419,0.63,1.0,0.7612312384346515,0.8283445274484271,0.8770903296552669,0.8920567473099856,0.8396807107120828
EOS-3-29547,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)c(Cl)c1,LTIVTRUNHZXMCZ-UHFFFAOYSA-N,3,1,0.489,73,353,453.293,3.868,5,0.373,0.68,1.0,0.5323058734836543,0.6358028921938181,0.5701716811733261,0.6135974230690151,0.5879694674799534
EOS-3-29548,COc1ccccc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,AUWMEIPQSZTMRF-UHFFFAOYSA-N,3,1,0.517,59,700,462.872,4.628,5,0.363,0.79,1.0,0.9185799465423892,0.9364162840106915,0.8208142005345761,0.7831368651908711,0.864736824069632
EOS-3-29549,Cn1cc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)cn1,VDGZGHMDNOJLFD-UHFFFAOYSA-N,3,1,0.286,38,983,421.424,3.304,6,0.426,0.64,1.0,0.12946336782948392,0.07125111370022617,0.2734476732232198,0.25460043862655063,0.18219064834487014
EOS-3-29550,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)cn5)ncc4F)n23)cn1,OCKIACIRRCRIFX-UHFFFAOYSA-N,3,1,0.477,73,930,448.849,3.718,5,0.4,0.62,1.0,0.8599564800219314,0.8755654170379,0.5332910698375711,0.5242358303063532,0.698262199300939
EOS-3-29551,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nn1,PTTWGOZIVRVZMK-UHFFFAOYSA-N,3,1,0.469,87,838,445.874,3.017,5,0.388,0.6,1.0,0.6373877732849017,0.6843859228291412,0.23404838599136454,0.26658556644506887,0.4556019121376191
EOS-3-29552,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)nn1,KRQXCBWHHMAQCB-UHFFFAOYSA-N,3,1,0.372,74,918,410.401,1.508,5,0.465,0.78,1.0,0.09068089918442876,0.02638612843533685,0.06683914741964224,0.04009320814200534,0.055999845795353304
EOS-3-29553,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)cn2)n1,CLJZEYGVAIGIIA-UHFFFAOYSA-N,3,1,0.289,70,543,462.452,3.61,6,0.387,0.63,0.963,0.20122849701871015,0.2683931875813858,0.3100198752655747,0.37900075388938387,0.28966057843876364
EOS-3-29554,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,MYQGBZAOKPIGSL-UHFFFAOYSA-N,3,1,0.517,7,212,436.838,3.353,5,0.417,0.61,1.0,0.47441916249742994,0.5086268932903845,0.6201339867041327,0.6136059899938319,0.5541965081214447
EOS-3-29555,Cn1nc(-c2cncnn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,DTMLGRDYKRQFAK-UHFFFAOYSA-N,3,1,0.489,36,404,438.814,2.143,5,0.406,0.6,1.0,0.49171578370228225,0.6796569803303406,0.0962579672400795,0.20154547323692687,0.36729405112740726
EOS-3-29556,N#CCCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)cn4)n23)cc1,NTAMKTJEVSCRJJ-UHFFFAOYSA-N,3,1,0.469,89,398,467.449,2.459,5,0.336,0.7,1.0,0.34611232951819615,0.13719930093893495,0.19857275032554314,0.11597046124323213,0.1994637105064766
EOS-3-29557,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5(F)CC5)cn4)n23)nc1,LDWGBXUMATZLOG-UHFFFAOYSA-N,3,1,0.271,33,432,456.445,2.233,6,0.399,0.59,0.721,0.0512559111781235,0.15623500788157083,0.06684771434445891,0.10245185388253032,0.09419762182167088
EOS-3-29558,Cc1ccncc1-c1cc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)cnn1,DNSWBGGISQKGPZ-UHFFFAOYSA-N,3,1,0.488,59,16,431.406,3.809,5,0.418,0.63,1.0,0.6828781440614077,0.6358114591186348,0.8016071550956069,0.7786477965869372,0.7247361387156466
EOS-3-29559,Cn1cc(-c2cncc(-c3cncc4nnc(-c5nncnc5-c5ccncc5)n34)n2)nn1,ZMKXNDLIJGUSAL-UHFFFAOYSA-N,3,1,0.253,86,312,435.415,1.291,6,0.394,0.58,0.999,0.013184497292851758,0.003186896031800425,0.02412446028373655,0.03343670755945446,0.018483140291960798
EOS-3-29560,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)cn1,QSZRITXECGQILL-UHFFFAOYSA-N,3,1,0.588,11,384,448.408,4.287,5,0.361,0.73,1.0,0.9004094990062367,0.8423428825988624,0.9207987800699061,0.9117863751627716,0.8938343842094442
EOS-3-29561,Cc1cnc(CCOc2cncc3nnc(-c4cccc(-c5nccn5C)c4)n23)c(Cl)n1,AYDHZVYIWSQCDG-UHFFFAOYSA-N,3,1,0.477,20,921,446.902,3.565,5,0.393,0.62,1.0,0.5350387225001714,0.5175964635734357,0.1722637242135563,0.18771845658282502,0.3531543417174971
EOS-3-29562,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(OC)n4)n23)c(C)c1,HXRBLKYLLOLGFE-UHFFFAOYSA-N,3,1,0.433,36,734,442.483,3.361,5,0.378,0.67,1.0,0.34140908779384554,0.1847457336714413,0.15947330546227126,0.07965526694537729,0.19132084846823383
EOS-3-29563,Cc1ncc(-c2c(C)nn(C)c2C)cc1COc1cncc2nnc(-c3ccncc3)n12,RTXBRCYVXQFLJX-UHFFFAOYSA-N,3,1,0.482,92,986,426.484,3.486,5,0.424,0.65,1.0,0.3116304571311082,0.14097731478308545,0.19171921047220888,0.1002758549790967,0.18615070934137481
EOS-3-29564,Fc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(F)c5)c4)n23)c(F)c1,JRKOTESHRXFYBU-UHFFFAOYSA-N,3,1,0.512,59,146,434.381,4.245,5,0.385,0.7,1.0,0.9277551230210404,0.9406654787197588,0.932792474813241,0.9255020217942568,0.9316787745870743
EOS-3-29565,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)ncn2)cn1,IXTKWYLCVQJAHW-UHFFFAOYSA-N,3,1,0.468,44,481,462.876,3.761,5,0.375,0.65,1.0,0.6948547049551093,0.6993437735590432,0.5469124802960729,0.5606709615516414,0.6254454800904667
EOS-3-29566,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5cccc(C(F)F)n5)n34)ccn2)n1,OWOOVJZJTCJGDA-UHFFFAOYSA-N,3,1,0.5,75,819,461.436,3.301,5,0.36,0.66,0.997,0.6675433486395723,0.6024946885066137,0.3469775889246796,0.2722226029744363,0.4723095572613255
EOS-3-29567,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccoc4)n23)cc1Cl,KPKGMTXKOGOYFY-UHFFFAOYSA-N,3,1,0.578,37,619,421.848,3.455,5,0.414,0.68,1.0,0.6315879651840175,0.6123038174216983,0.38842437118771844,0.4135083270509218,0.511456120211089
EOS-3-29569,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cnncn5)c(Cl)n4)n23)cn1,DEOIBCWEAKEIHE-UHFFFAOYSA-N,3,1,0.375,7,94,453.253,2.714,5,0.366,0.64,0.797,0.4992461106161332,0.5359896511548214,0.2810893701596875,0.3692344595983826,0.42138989788225617
EOS-3-29570,c1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnco6)cn5)n34)nc2)ncn1,SPVDEJIJIGLHLA-UHFFFAOYSA-N,3,1,0.446,6,280,449.434,3.272,6,0.373,0.61,1.0,0.35276883010074706,0.232489205674731,0.35092694126516344,0.2752895620588034,0.30286863477486126
EOS-3-29571,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)nn2)ccn1,SLXSYPHQYQLGQY-UHFFFAOYSA-N,3,1,0.253,86,165,437.402,2.425,6,0.382,0.61,0.998,0.0013621410458501816,0.07812178740319375,0.32489205674731,0.35606709615516413,0.19011077033787951
EOS-3-29572,Cc1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc(-c2cnc(C)nc2)n1,JJBXGRZGTIGVAM-UHFFFAOYSA-N,3,1,0.449,13,374,429.871,4.706,5,0.408,0.72,1.0,0.4992546775409499,0.5731529710095264,0.5891902542663285,0.5639606606812418,0.5563896408745117
EOS-3-29573,Fc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)s1,YVGHGPGQUVHTJC-UHFFFAOYSA-N,3,1,0.416,50,243,426.387,3.844,5,0.431,0.61,0.289,0.19551435816599275,0.45931567404564455,0.5300099376327874,0.5242443972311699,0.4272710917688986
EOS-3-29574,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)nc1C,PSTJDODZNJESLA-UHFFFAOYSA-N,3,1,0.356,31,105,448.878,2.796,5,0.385,0.63,0.994,0.3011788088547735,0.3093088205057912,0.05134158042629018,0.05730416009869097,0.1797833424713865
EOS-3-29575,COc1cc(COc2cncc3nnc(-c4ccc(Oc5ccnc(C)c5)cc4)n23)ccn1,IDLUALVTOKQAFE-UHFFFAOYSA-N,3,1,0.506,1,881,440.463,4.27,5,0.37,0.71,1.0,0.6120725104516482,0.42403707765060655,0.6346634911932013,0.41025289562058803,0.5202564937290111
EOS-3-29576,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(C)n5)n34)ccn2)cn1,PGJRBQNNCOKKHE-UHFFFAOYSA-N,3,1,0.516,75,819,442.458,3.416,5,0.394,0.64,1.0,0.6461431704475361,0.6075234733739977,0.31002844219039133,0.2368754711808649,0.45014263929819753
EOS-3-29577,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc(C)n2)nc1,KQFCNDUHCNRYJT-UHFFFAOYSA-N,3,1,0.412,31,531,442.458,3.416,5,0.394,0.62,0.966,0.5951614008635461,0.4414793365773422,0.2411075320402988,0.21646048934274553,0.37355218970598314
EOS-3-29578,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccnnc5)no4)n23)cn1,JFANZVPKSCVVGF-UHFFFAOYSA-N,3,1,0.39,80,816,453.426,2.006,6,0.364,0.65,1.0,0.3343071071208279,0.25783873620725106,0.042903159481872385,0.0322801727092043,0.16683229387978893
EOS-3-29579,Cn1nccc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)n1,LWSRZOWONYKNJG-UHFFFAOYSA-N,3,1,0.343,38,167,422.412,2.699,6,0.421,0.64,1.0,0.11567918579946543,0.067490233705709,0.16562435748063875,0.1608525803577548,0.12741158933589197
EOS-3-29580,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)nn1,VRDJJWAEEFQCTD-UHFFFAOYSA-N,3,1,0.319,38,42,422.412,2.699,6,0.421,0.63,1.0,0.09068946610924543,0.07125968062504283,0.18518264683709135,0.17954561030772395,0.1316693509697759
EOS-3-29581,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cc(C)nn5C)n4)n23)nc1,QBXHNEPBFBSICM-UHFFFAOYSA-N,3,1,0.37,33,647,473.928,2.894,5,0.417,0.61,0.998,0.15136899458570352,0.20743095058597766,0.11184977040641492,0.08652594064834487,0.13929391405661024
EOS-3-29582,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,RUYYCUGMTPYIFJ-UHFFFAOYSA-N,3,1,0.522,65,262,448.849,3.452,5,0.389,0.62,1.0,0.9052155438283873,0.9197107806181893,0.5166969364676856,0.5411212391200055,0.720686125008567
EOS-3-29583,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4cnc(C)nc4)n23)c1,AJYCCWNKFWJYAS-UHFFFAOYSA-N,3,1,0.505,26,448,444.474,3.534,5,0.379,0.64,1.0,0.5478291412514564,0.4414879035021589,0.37748440819683365,0.2961157562881228,0.4157293023096429
EOS-3-29584,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cncc(-c4ncc(Cl)cn4)c3)n12,UXHDRHQPQVWUAF-UHFFFAOYSA-N,3,1,0.463,13,995,454.252,4.882,5,0.382,0.75,1.0,0.7435662394626825,0.7759577821945035,0.8369799876636282,0.8867281200740182,0.8108080323487081
EOS-3-29585,Clc1cccc(COc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)n1,XFRGQGDWSYAFDE-UHFFFAOYSA-N,3,1,0.456,46,122,416.832,3.271,5,0.402,0.73,1.0,0.4045730244671373,0.44149647042697554,0.39207388115961894,0.43252690014392436,0.41766756904941404
EOS-3-29586,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cn5)n34)cc2)n1,GPTIYRGEGKUQRY-UHFFFAOYSA-N,3,1,0.322,42,818,432.447,4.274,6,0.406,0.66,1.0,0.17570762798985676,0.11343465149749846,0.48165821396751424,0.432535467068741,0.3008339901309026
EOS-3-29587,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)nn1,MCACTHCLJQKYSS-UHFFFAOYSA-N,3,1,0.494,72,417,415.844,4.397,5,0.429,0.79,1.0,0.6615636351175382,0.8808854773490508,0.6053046398464808,0.607412103351381,0.6887914639161126
EOS-3-29588,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cc5F)n34)c2)cn1,OKSOIEBHGMHWPL-UHFFFAOYSA-N,3,1,0.398,46,160,448.849,3.718,5,0.375,0.66,1.0,0.7161006785004455,0.6358200260434514,0.6525512302104036,0.619482900418066,0.6559887087930916
EOS-3-29589,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)c(C)n2)nn1,ZSYJSNFFSYTEMB-UHFFFAOYSA-N,3,1,0.407,92,662,428.46,2.276,5,0.415,0.63,1.0,0.2530840929340004,0.16390240559248853,0.022145500651086288,0.00852409019258447,0.11191402234253993
EOS-3-29590,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)c1,DHWXYCPIOFTGRE-UHFFFAOYSA-N,3,1,0.305,70,392,418.424,3.095,6,0.463,0.65,1.0,0.12087074223836612,0.14098588170790213,0.2919950654513056,0.30233534370502363,0.21404675827564934
EOS-3-29591,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccnn5)c4)n23)cc1,ZHLHICXQMIGYAD-UHFFFAOYSA-N,3,1,0.472,71,49,463.465,2.413,6,0.362,0.64,1.0,0.542680419436639,0.2529555890617504,0.15948187238708794,0.1426221643478857,0.2744350113083408
EOS-3-29592,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nccnn5)n4)n23)cn1,XSYGBAPHHIFFQR-UHFFFAOYSA-N,3,1,0.416,6,843,463.465,2.413,6,0.362,0.64,1.0,0.3760194640531835,0.19350969775889246,0.1234836543074498,0.09415907065999589,0.1967929716948804
EOS-3-29593,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ncn1,FZOZZQLQKFGQIN-UHFFFAOYSA-N,3,1,0.357,31,296,434.851,2.047,5,0.395,0.61,0.437,0.4620142553628949,0.32868720444109384,0.09176889863614557,0.1088170790213145,0.24782185936536222
EOS-3-29594,COc1cc(-c2nnc3cncc(Oc4cc(F)ccc4F)n23)ccc1-c1ccccn1,FAUDDRHDSZXHMR-UHFFFAOYSA-N,3,1,0.511,57,209,431.402,4.932,5,0.393,0.78,1.0,0.9084024398601878,0.8318226989239943,0.9140994448632719,0.8740233705708998,0.8820869885545884
EOS-3-29595,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncon1,AZFVJNUGWUSYAU-UHFFFAOYSA-N,3,1,0.406,31,602,435.835,2.61,5,0.392,0.64,0.998,0.5951699677883627,0.4951425536289494,0.05891474196422452,0.07966383387019396,0.30722277431293266
EOS-3-29596,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccc2Cl)ccn1,SHWVSGGMTNXWBD-UHFFFAOYSA-N,3,1,0.518,35,795,447.861,4.057,5,0.362,0.7,1.0,0.9346943321225413,0.9642245219655953,0.6583681721609211,0.7114916729490782,0.817194674799534
EOS-3-29597,Cc1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc(-c2nnnn2C)n1,JSSAWRZCUQVFRQ-UHFFFAOYSA-N,3,1,0.418,31,760,434.851,2.313,5,0.41,0.59,1.0,0.44589986978274276,0.49515112055376603,0.07543177301076005,0.10657254471934755,0.2807638270166541
EOS-3-29598,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4cncnc4)n3)n12,BJTGOVCEQGMFJE-UHFFFAOYSA-N,3,1,0.484,4,817,429.871,4.184,5,0.413,0.67,1.0,0.5776420396134604,0.8010760057569735,0.6172040984168323,0.6136145569186485,0.6523841751764786
EOS-3-29599,Cc1nccc(CCOc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)c1F,YAPRICYXCMRSIY-UHFFFAOYSA-N,3,1,0.527,26,438,429.459,3.656,5,0.41,0.64,1.0,0.5951785347131794,0.4769035706942636,0.582962099924611,0.4822921664039476,0.5343340929340004
EOS-3-29600,Fc1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(F)nn5)n4)n23)c(F)c1,CNFXFZQVYSBGDB-UHFFFAOYSA-N,3,1,0.511,34,10,441.398,3.701,5,0.411,0.69,1.0,0.6708844493180728,0.8283530943732438,0.5768367486806936,0.6369936947433349,0.6782669967788363
EOS-3-29601,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCc3cccc(F)c3F)n12,NQLVCNNPDFKUGP-UHFFFAOYSA-N,3,1,0.531,57,962,433.393,4.85,5,0.397,0.77,1.0,0.9264186827496402,0.9434582962099924,0.9726458090603797,0.9717120142553629,0.9535587005688437
EOS-3-29602,CCc1nc(-c2nnc3cncc(COc4ccncc4)n23)ccc1-c1cncc(C)n1,AONAKIVHMPKNKN-UHFFFAOYSA-N,3,1,0.33,85,920,424.468,3.488,5,0.408,0.64,0.97,0.2288996641765472,0.11627887053663218,0.1532108834212871,0.11115584949626482,0.1523863169076828
EOS-3-29603,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cc2F)n[nH]1,XBLMNMRYERDPAH-UHFFFAOYSA-N,3,1,0.489,59,469,467.823,3.447,5,0.421,0.68,1.0,0.7130251524912617,0.7274175861832637,0.8464293057364128,0.8581659927352477,0.7862595092865465
EOS-3-29604,CCc1ccc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4F)n23)nn1,LTBQPNLAGQBJIL-UHFFFAOYSA-N,3,1,0.467,36,79,431.435,2.657,5,0.404,0.63,1.0,0.44119662805839216,0.526874443149887,0.20198238640257693,0.17659858817079022,0.33666301144541155
EOS-3-29605,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cs1,YUWPPWWKEIYEIT-UHFFFAOYSA-N,3,1,0.561,36,391,441.879,4.02,5,0.409,0.66,1.0,0.7785621273387705,0.8206428620382428,0.5735641834007265,0.6309454458227675,0.7009286546501268
EOS-3-29606,COc1ncncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,ASVIKRLJNMAHAS-UHFFFAOYSA-N,3,1,0.655,84,360,477.887,4.066,5,0.346,0.85,1.0,0.9291515317661572,0.9057980947159208,0.7042440545541773,0.6427249674456857,0.7954796621204852
EOS-3-29607,Cc1nc(-c2cc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n(C)n2)n(C)n1,WJMKFAHAJLIMPL-UHFFFAOYSA-N,3,1,0.353,85,455,436.43,2.552,5,0.417,0.63,0.398,0.16764615173737235,0.21230553080666165,0.11185833733123159,0.0922657802755123,0.14601895003769447
EOS-3-29608,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4Cl)n23)n1,BGUJGNVCDZSOJX-UHFFFAOYSA-N,3,1,0.477,4,31,434.822,3.41,5,0.387,0.65,1.0,0.6065211431704476,0.7089215955040779,0.5633609759440751,0.5952813378109794,0.6185212631073951
EOS-3-29609,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1,DFXXUBODVDGADS-UHFFFAOYSA-N,3,1,0.256,76,880,420.4,1.885,6,0.448,0.6,0.532,0.06699335206634227,0.06386642450825851,0.033205400589404424,0.06840689466109245,0.058118017956274415
EOS-3-29610,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(C#N)ccn5)n34)c2)cn1,WYMVWBMURHIAQM-UHFFFAOYSA-N,3,1,0.413,7,720,421.424,2.797,5,0.421,0.63,1.0,0.4112980604482215,0.377193132753067,0.39585189500376944,0.3151086286066753,0.3748629292029333
EOS-3-29611,c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cscn6)cc5)n34)cc2)n[nH]1,WYMTWSCLTHZSNE-UHFFFAOYSA-N,3,1,0.512,77,611,452.503,4.279,6,0.402,0.7,1.0,0.6287608799945171,0.4997601261051333,0.5129360564731684,0.4546209992461106,0.5240195154547324
EOS-3-29612,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nn1,BXVVEPBGJGXIPH-UHFFFAOYSA-N,3,1,0.582,72,628,413.416,3.404,5,0.421,0.78,1.0,0.8487595092865465,0.7759663491193202,0.5768453156055102,0.5476235350558564,0.6872986772668083
EOS-3-29613,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ncn2)cc1,CCRHGPCXOICDNW-UHFFFAOYSA-N,3,1,0.472,44,488,451.824,4.154,5,0.371,0.71,0.989,0.8534284833116305,0.7759749160441368,0.8589712836680146,0.8781354944829004,0.8416275443766705
EOS-3-29614,Cn1cnnc1-c1ccc(-c2nnc3cncc(Cn4ccnc4-c4ccccc4F)n23)c(F)c1,LUXZMWVOCABOJK-UHFFFAOYSA-N,3,1,0.387,67,314,469.459,3.777,6,0.382,0.68,1.0,0.29612432321293947,0.36752964155986567,0.49868926050304985,0.5735898841751764,0.4339832773627579
EOS-3-29615,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)cn1,PGOBRDNFLWGDBV-UHFFFAOYSA-N,3,1,0.472,16,969,447.861,4.323,5,0.37,0.71,1.0,0.8463779041875128,0.8129583304776917,0.7995596600644232,0.7664570625728189,0.8063382393256117
EOS-3-29616,Cc1cnc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ccc(F)nc4)ccn3)n12,YJHBKYBEFHRCOS-UHFFFAOYSA-N,3,1,0.402,46,157,447.861,4.323,5,0.37,0.71,1.0,0.7254985950243301,0.6796655472551573,0.777748269481187,0.7561424850935509,0.7347637242135563
EOS-3-29617,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nc5)ncc4F)n23)nc1,XAEMEKJVFKLNMJ-UHFFFAOYSA-N,3,1,0.422,46,959,447.861,4.323,5,0.37,0.71,1.0,0.8117589610033582,0.7845247070111713,0.745202522102666,0.729961962853814,0.7678620382427523
EOS-3-29618,Fc1cc(F)c(Cn2ncc(-c3nnc4cncc(Cc5ccc(Cl)cn5)n34)n2)cc1F,HPGACIKCQBRTBL-UHFFFAOYSA-N,3,1,0.279,22,81,456.819,3.488,5,0.376,0.64,0.019,0.2095212802412446,0.22264580906037967,0.7117229799191283,0.8283359605236105,0.49305650743609075
EOS-3-29619,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)nn5C)n34)cn2)cn1,HNHNZVVXAHKYLJ-UHFFFAOYSA-N,3,1,0.438,7,85,433.863,2.918,5,0.416,0.63,1.0,0.35767767802069766,0.4856504009320814,0.19172777739702557,0.16861421424165582,0.3009175176478651
EOS-3-29620,Cc1cc(-c2cc(-c3nnc4cncc(CCCc5cccc(Cl)c5)n34)ncn2)ccn1,MUIHPIHMJBAQJF-UHFFFAOYSA-N,3,1,0.431,44,130,441.926,4.78,5,0.377,0.79,0.913,0.3241038996641765,0.34357651977246245,0.4395946131176753,0.5242529641559865,0.4078819991775752
EOS-3-29621,CCn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)nn1C,ZEAHXMSEYQLOMV-UHFFFAOYSA-N,3,1,0.385,95,956,438.854,3.993,5,0.412,0.66,1.0,0.30637893221849083,0.41014152559797135,0.4572596120896443,0.49751559180316635,0.4178239154273182
EOS-3-29622,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)cn1,CRJJLHYOPMXQKO-UHFFFAOYSA-N,3,1,0.309,70,392,421.424,3.304,6,0.426,0.63,0.999,0.20667706120211088,0.08511239805359468,0.23736378589541499,0.21911623603591254,0.18706737029675827
EOS-3-29623,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)nn1,SEOOABFDQYSGOC-UHFFFAOYSA-N,3,1,0.315,38,865,421.424,3.304,6,0.426,0.63,1.0,0.06331814131999178,0.04854019601123981,0.24455143581659927,0.2546090055513673,0.15275469467479952
EOS-3-29624,Fc1ccc(-c2nnc3cncc(Oc4ncc(-c5cscn5)cc4F)n23)cc1F,KFKSXHKLNOWGRS-UHFFFAOYSA-N,3,1,0.464,13,573,426.383,4.519,5,0.421,0.75,1.0,0.7869748475087383,0.8614042903159482,0.8824275238160509,0.8740319374957165,0.8512096497841135
EOS-3-29625,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(F)cc5F)n34)c(C)nn2)nn1,BPCZJMPUQQKZKZ-UHFFFAOYSA-N,3,1,0.404,22,844,417.383,2.995,5,0.441,0.66,0.985,0.3089832773627579,0.472405935165513,0.2956445754232061,0.3790093208142005,0.3640107771914194
EOS-3-29626,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)n1,XIUPXKNRVWXFTB-UHFFFAOYSA-N,3,1,0.57,44,531,461.888,4.366,5,0.371,0.69,1.0,0.7672623535055856,0.7228514152559797,0.559985607566308,0.6250599684737167,0.6687898362003974
EOS-3-29627,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)nn1,AUGALYLNJJDFBE-UHFFFAOYSA-N,3,1,0.424,51,379,449.837,3.113,5,0.373,0.65,1.0,0.655172709204304,0.6698564183400727,0.2992084161469399,0.33059762867521075,0.48870879309163184
EOS-3-29628,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)nn5)ncn4)n23)cn1,NPNHXUOHLOREFI-UHFFFAOYSA-N,3,1,0.434,7,185,455.442,1.075,5,0.39,0.6,1.0,0.3828473031320677,0.1891148653279419,0.02032931258995271,0.0059368788979507914,0.14955708998697828
EOS-3-29629,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)ccn2)cc1,XRFYCNKKZHEABS-UHFFFAOYSA-N,3,1,0.58,97,850,416.391,4.106,5,0.429,0.75,1.0,0.6978102940168597,0.7366955657597148,0.8515780275512302,0.8581745596600644,0.7860646117469673
EOS-3-29630,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)s1,GFDLLHSSYBKVAF-UHFFFAOYSA-N,3,1,0.329,38,865,437.492,3.772,6,0.414,0.61,1.0,0.06162189020629155,0.08512096497841135,0.2624734425330683,0.2842762661914879,0.17337314097731477
EOS-3-29631,Cn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,RWUBKBLSWLDTOY-UHFFFAOYSA-N,3,1,0.423,93,107,447.477,5.06,6,0.378,0.79,1.0,0.21477280515386196,0.410150092522788,0.5797580700431773,0.694734768007676,0.4748539339318758
EOS-3-29632,Cn1cnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)n1,XDPMPGWGYKCWAD-UHFFFAOYSA-N,3,1,0.429,6,826,463.465,2.413,6,0.362,0.63,0.995,0.37602803097800014,0.2171886779521623,0.0895500651086286,0.07784764580906038,0.19015360496196285
EOS-3-29633,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,GFMOTFCVMUHBCX-UHFFFAOYSA-N,3,1,0.523,75,496,447.861,4.057,5,0.387,0.64,1.0,0.8644883832499486,0.8834384209444178,0.7428037831539991,0.7587553971626345,0.8123714961277501
EOS-3-29634,COc1ncc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cncn1C,DQLKJMHMVVVTSH-UHFFFAOYSA-N,3,1,0.441,92,185,449.862,2.618,5,0.385,0.62,1.0,0.3711962853813995,0.40086354602152013,0.21605784387636215,0.1581111644164211,0.28655720992392575
EOS-3-29635,Cc1ncc(-c2ccnnc2C)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,YMTRVYJUIZUDJI-UHFFFAOYSA-N,3,1,0.585,4,534,443.898,4.493,5,0.395,0.67,1.0,0.8712048523062161,0.8808940442738674,0.634672058118018,0.6010640120622301,0.7469587416900829
EOS-3-29636,Cc1nc(COc2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)cc(-c2ncon2)n1,RWSKCSVVRHJCGE-UHFFFAOYSA-N,3,1,0.462,7,185,453.369,2.515,5,0.359,0.66,1.0,0.5554794051127407,0.5405129874580221,0.29921698307175654,0.22483037488862997,0.40500993763278736
EOS-3-29637,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)n2)cc1,LIYWDJYDKZVOFT-UHFFFAOYSA-N,3,1,0.29,10,957,440.467,4.302,6,0.406,0.65,0.994,0.009363648824617914,0.12691042423411691,0.47799157014598037,0.570428688917826,0.29617358303063535
EOS-3-29638,Fc1ccc(Cl)nc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,ITRYFPOBKIYTBP-UHFFFAOYSA-N,3,1,0.28,50,151,459.836,3.012,6,0.398,0.63,0.99,0.026557466931670208,0.24299225549996573,0.31373792063600847,0.39766808306490303,0.24523893153313686
EOS-3-29639,COc1nc(-c2nnc3cncc(OCc4nc(C)nc(C)c4F)n23)ccc1-c1ccccn1,SSUNVNCTMMUKML-UHFFFAOYSA-N,3,1,0.432,49,501,458.457,3.382,5,0.378,0.65,1.0,0.545310465355356,0.437410047289425,0.13487766431361797,0.07785621273387705,0.298863597423069
EOS-3-29640,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnnc5)c4)n23)ccc1Cl,BDELVEIGCFHZEH-UHFFFAOYSA-N,3,1,0.645,59,13,450.836,4.759,5,0.384,0.73,1.0,0.9608662874374615,0.9832687958330477,0.9652696867932287,0.9684394489753958,0.9694610547597835
EOS-3-29641,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)nn1,WVJFXDJXKIMRFY-UHFFFAOYSA-N,3,1,0.402,31,481,429.419,2.502,5,0.375,0.64,1.0,0.6859279692961414,0.49976869302995,0.23737235282023164,0.2106435473922281,0.4084281406346378
EOS-3-29642,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(C#N)c4)n23)nc1F,WBSXQRGTHZIOLR-UHFFFAOYSA-N,3,1,0.398,89,348,440.442,3.659,5,0.371,0.66,0.986,0.6373963402097184,0.47691213761908025,0.6498012473442533,0.5923257487492289,0.5891088684805702
EOS-3-29643,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccnc6F)cnn5)n34)nc2)n(C)n1,UDLNQKJKPYHSNL-UHFFFAOYSA-N,3,1,0.269,70,719,465.456,2.948,6,0.361,0.66,0.413,0.11291206908368172,0.18064217668425742,0.1594904393119046,0.1795541772325406,0.1581497155780961
EOS-3-29644,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,OKCPOJMXJWJZNE-UHFFFAOYSA-N,3,1,0.539,15,545,445.914,4.345,5,0.37,0.7,1.0,0.3850747035844013,0.4415050373517922,0.5332996367623878,0.5312521417312042,0.4727828798574463
EOS-3-29645,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ncn2)no1,KDNQWCBJBFEGFI-UHFFFAOYSA-N,3,1,0.523,73,391,438.81,3.311,5,0.407,0.65,1.0,0.7553286272359674,0.8353522719484614,0.3736207251045165,0.42306901514632306,0.5968426598588171
EOS-3-29646,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)cnn2)nn1,QHVVLCKSVPWDCF-UHFFFAOYSA-N,3,1,0.474,53,778,429.419,2.502,5,0.375,0.65,0.999,0.707165375916661,0.6504351997806868,0.2266122952504969,0.21373620725104517,0.44948726954972246
EOS-3-29647,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)c2)nn1,AQEZQRXWIMBYLK-UHFFFAOYSA-N,3,1,0.303,42,727,449.453,3.85,6,0.377,0.65,1.0,0.08568638201631143,0.1677660886848057,0.5701802480981427,0.5766568432595436,0.35007239051470085
EOS-3-29648,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)n1,IOJNOJVNSGSEDX-UHFFFAOYSA-N,3,1,0.448,44,531,463.423,3.991,5,0.376,0.67,0.993,0.8194520594887259,0.7675707627989857,0.6936039339318758,0.7141474196422453,0.7486935439654581
EOS-3-29650,c1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)n2)cc1,SCMGTUYSINXMIB-UHFFFAOYSA-N,3,1,0.382,93,186,418.42,3.965,6,0.423,0.75,1.0,0.13224761839490096,0.09745733671441299,0.37362929202933315,0.42618737577959015,0.25738040572955934
EOS-3-29651,Cc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)s2)cn1,FJYCXSMAYPONII-UHFFFAOYSA-N,3,1,0.495,55,283,465.926,3.738,5,0.403,0.76,1.0,0.6315965321088343,0.7367041326845316,0.3920824480844356,0.3917055033925022,0.5380221540675759
EOS-3-29652,O=C(Nc1ccccc1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)nc5)c4)n23)cc1,KITOMHOKIJBGNB-UHFFFAOYSA-N,3,1,0.364,30,668,476.475,4.43,6,0.369,0.79,1.0,0.012327804811184976,0.1104961962853814,0.6440014392433692,0.5639692276060585,0.3326986669864985
EOS-3-29653,FC(F)(F)c1ccc(-c2nnc3cncc(CCCc4ccc(Cl)cc4)n23)cn1,UOTJMEVDWBLWDK-UHFFFAOYSA-N,3,1,0.56,66,225,417.822,5.034,4,0.457,0.86,1.0,0.6461517373723529,0.831831265848811,0.9685765197724625,0.9566770612021109,0.8508091460489343
EOS-3-29654,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)nc5)n34)cn2)o1,RISKRWLFEPHEDX-UHFFFAOYSA-N,3,1,0.333,32,191,438.476,4.335,6,0.4,0.69,1.0,0.15940477006373793,0.1806507436090741,0.29922554999657325,0.26363854430813516,0.22572990199438012
EOS-3-29655,Clc1ccc(-c2nnc3cncc(OCc4csc(-c5ccncc5)n4)n23)cc1,RLMFHGIVRPKOEJ-UHFFFAOYSA-N,3,1,0.582,97,436,420.885,4.542,5,0.415,0.8,1.0,0.6344064834487012,0.8726355287505997,0.5367606743883215,0.6010725789870468,0.6612188163936674
EOS-3-29656,COc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)c1,FLYFFAODEOMRPV-UHFFFAOYSA-N,3,1,0.527,75,420,444.43,2.808,5,0.374,0.6,0.999,0.8117675279281749,0.6358285929682681,0.28847405935165515,0.207550887533411,0.4859052669453773
EOS-3-29657,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)s2)nn1,LYHSVAIQUYNRSG-UHFFFAOYSA-N,3,1,0.333,76,507,455.482,3.911,6,0.397,0.63,0.717,0.13746487560825166,0.31438043999725857,0.3284901651703105,0.40694606264135424,0.2968203858542937
EOS-3-29658,Cn1cc(-c2cc(-c3cncc4nnc(-c5nccnc5-c5ccncn5)n34)c(F)cn2)cn1,FNDZSJXQUMXNOK-UHFFFAOYSA-N,3,1,0.236,86,953,451.429,2.64,6,0.398,0.58,0.967,0.1294719347543006,0.1562435748063875,0.2340569529161812,0.24838941813446644,0.19204047015283396
EOS-3-29659,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c(F)cn2)o1,KFBZGUFFHXHOIB-UHFFFAOYSA-N,3,1,0.512,16,483,451.849,4.225,5,0.391,0.68,1.0,0.7672709204304023,0.8053337673908574,0.592454252621479,0.5923343156740456,0.689348314029196
EOS-3-29660,Cc1cnc(Cl)nc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)nn1C,CVJGCYJMIBWOPH-UHFFFAOYSA-N,3,1,0.449,31,569,447.89,2.96,5,0.365,0.69,1.0,0.3760365979028168,0.30422863408950723,0.11492529641559866,0.12056233294496607,0.2289382153382222
EOS-3-29661,c1cc(-c2ccnnc2)nc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1,FPHOLZOBEYCZEV-UHFFFAOYSA-N,3,1,0.324,38,818,428.459,4.372,6,0.411,0.68,1.0,0.13225618531971764,0.13354979096703448,0.6257024878349667,0.6370022616681515,0.38212768144746756
EOS-3-29662,N#Cc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)nc5)n34)c2)cn1,FYTWQOLUFZCPTA-UHFFFAOYSA-N,3,1,0.456,4,390,425.387,2.628,5,0.39,0.64,1.0,0.5863117675279281,0.7089301624288945,0.6081659927352477,0.5639777945308752,0.6168464293057364
EOS-3-29663,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5nn[nH]n5)c4)n23)cn1,FJDOBVWLPIJPMY-UHFFFAOYSA-N,3,1,0.359,85,784,412.417,1.317,5,0.44,0.8,1.0,0.16500753889383868,0.13720786786375164,0.07544033993557672,0.049276951545473235,0.10673317455966007
EOS-3-29664,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)nc6)nn5)n34)nc2)nn1,QCYNTQSCFJIRLL-UHFFFAOYSA-N,3,1,0.25,99,312,440.406,1.764,6,0.376,0.63,1.0,0.003195462956617093,0.0712682475498595,0.1469056267562196,0.16862278116647247,0.09749802960729217
EOS-3-29665,Cc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccc(F)c(C)n5)c4)n23)cn1,LUADCWAQLUEYAT-UHFFFAOYSA-N,3,1,0.477,4,253,461.888,4.632,5,0.376,0.76,1.0,0.7344510314577479,0.8783925022274005,0.6910081557124255,0.6597817147556713,0.7409083510383112
EOS-3-29666,Cc1nn(C)cc1-c1noc(COc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)n1,SPIBSGCMUVWJBW-UHFFFAOYSA-N,3,1,0.452,56,415,455.438,3.117,6,0.368,0.67,1.0,0.35981084230004795,0.22784593242409704,0.07544890686039339,0.0587605373175245,0.18046655472551573
EOS-3-29667,Cn1nnnc1-c1ccc(Cl)c(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1,SHENURNGXYRBPT-UHFFFAOYSA-N,3,1,0.506,36,728,454.281,3.263,5,0.373,0.65,0.999,0.5453190322801728,0.7886453978479885,0.43960318004249194,0.5704372558426427,0.5860012165033239
EOS-3-29668,N#Cc1cc(F)cc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)c1,MCHIWWWXHRHBFA-UHFFFAOYSA-N,3,1,0.511,97,744,457.856,4.491,5,0.383,0.7,1.0,0.6889178260571586,0.8491278870536633,0.8978051538619697,0.9082396682886711,0.8360226338153657
EOS-3-29669,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5csnn5)c4)n23)ccc1Cl,WPKNKAFRLVVVBI-UHFFFAOYSA-N,3,1,0.575,16,391,439.863,4.076,5,0.407,0.66,1.0,0.6461603042971695,0.8010845726817901,0.7566993352066342,0.792423411692139,0.7490919059694332
EOS-3-29670,Fc1ccc(C(F)F)cc1-c1ncnc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)n1,KNDCPPYUSVOBNK-UHFFFAOYSA-N,3,1,0.28,29,315,454.803,4.435,5,0.396,0.66,0.621,0.4090877938455212,0.6453378795147694,0.8589798505928312,0.8920653142348023,0.701367709546981
EOS-3-29671,Cn1cnnc1-c1ccc(-c2nnc3cncc(CCc4cccc(Cl)c4)n23)cc1,GFPYGXSXCRMJDP-UHFFFAOYSA-N,3,1,0.489,61,886,415.888,4.025,5,0.433,0.79,1.0,0.31917791789459254,0.45503221163731067,0.4816667808923309,0.5800150777876774,0.4589729970529779
EOS-3-29672,COCCOCc1cncc2nnc(-c3cc(F)ccc3Oc3ccc(Cl)cc3F)n12,MZYUSAQHZZPMPQ-UHFFFAOYSA-N,3,1,0.398,23,254,446.841,4.678,4,0.366,0.8,1.0,0.5453275992049894,0.5405215543828388,0.9122832568021383,0.909430470838188,0.7268907203070386
EOS-3-29673,Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)nc(F)c5)n34)nn2)n1,UQDQBXJFLPRZRQ-UHFFFAOYSA-N,3,1,0.44,54,411,446.421,3.246,5,0.366,0.64,0.999,0.822184908505243,0.630748406551984,0.4281063669385238,0.40076930984853676,0.5704522479610719
EOS-3-29674,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)c1,VIIDQLWHNJIRKV-UHFFFAOYSA-N,3,1,0.447,18,87,432.394,2.938,5,0.377,0.64,1.0,0.7223973682406963,0.5934051812761291,0.6110873140977314,0.6250685353985334,0.6379895997532725
EOS-3-29675,Fc1ncccc1-c1nccc(COc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)n1,WZAAWJMLFWECGJ-UHFFFAOYSA-N,3,1,0.457,46,242,450.384,3.694,5,0.361,0.71,0.998,0.6581625659653211,0.7042269207045438,0.7168631348091289,0.6568518264683709,0.6840261119868412
EOS-3-29676,Cc1ccn(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)n1,NLBGCSFRDDUXHS-UHFFFAOYSA-N,3,1,0.573,4,32,417.86,3.913,5,0.431,0.76,1.0,0.4717976835035296,0.6942207525186759,0.5599941744911247,0.5606795284764581,0.571673034747447
EOS-3-29677,Cc1nn(C)c(-c2cc(F)ccn2)c1-c1cncc2nnc(-c3ccc(Cl)cn3)n12,XSJRWORYNAZPKC-UHFFFAOYSA-N,3,1,0.34,50,844,420.839,3.75,5,0.442,0.67,1.0,0.0856949489411281,0.2578473031320677,0.32849873209512714,0.47334829689534647,0.28634732026591736
EOS-3-29678,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cc1F,VYVZNRRVMVBIDN-UHFFFAOYSA-N,3,1,0.489,72,132,465.851,4.196,5,0.371,0.7,1.0,0.8441676375848125,0.835360838873278,0.7501113700226166,0.7947279144678226,0.8060919402371325
EOS-3-29679,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cc5)n34)cc2)nc1,SBXNIXPLNQRQSP-UHFFFAOYSA-N,3,1,0.369,69,898,417.432,4.57,6,0.415,0.82,1.0,0.19287574532245905,0.1372164347885683,0.5955554794051128,0.6010811459118635,0.3816822013570009
EOS-3-29680,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cc2)nc1,JMIXJEBDIRZESI-UHFFFAOYSA-N,3,1,0.369,69,898,417.432,4.57,6,0.415,0.82,1.0,0.19288431224727573,0.13722500171338498,0.5955640463299294,0.6010897128366801,0.3816907682818176
EOS-3-29681,Cn1nc(-c2cccc(Cl)c2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,RVYVJWWDKLPHAE-UHFFFAOYSA-N,3,1,0.366,30,737,464.92,4.969,6,0.366,0.83,0.994,0.05280652456994037,0.26324446576656846,0.38110821739428413,0.557638270166541,0.3136993694743335
EOS-3-29682,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)nn1,MHFVZNLKKVNFJJ-UHFFFAOYSA-N,3,1,0.323,99,502,452.442,1.965,6,0.381,0.61,0.999,0.27962442601603726,0.1719724487697896,0.03321396751422109,0.019875265574669315,0.12617152696867934
EOS-3-29683,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)nc4)n23)nc1,MTEBAPDKRAEACY-UHFFFAOYSA-N,3,1,0.265,94,892,418.424,3.095,6,0.463,0.66,0.982,0.11847200328969913,0.1409944486327188,0.22662086217531355,0.257504626139401,0.18589798505928312
EOS-3-29684,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)n1,DNZVTJOKYGAJRM-UHFFFAOYSA-N,3,1,0.494,75,496,444.886,3.622,5,0.391,0.62,1.0,0.6403776300459187,0.5979970529778631,0.23738091974504832,0.27529812898362005,0.43776343293811254
EOS-3-29685,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)ncn1,MGTXEXMCVHLRRV-UHFFFAOYSA-N,3,1,0.485,87,307,444.886,3.622,5,0.391,0.62,1.0,0.6521999862929203,0.6942293194434925,0.41328558700568846,0.4007778767733534,0.5401231923788636
EOS-3-29687,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)nnc1Cl,OXXKCQSTNUWFAH-UHFFFAOYSA-N,3,1,0.494,24,583,448.849,3.452,5,0.389,0.61,1.0,0.7727880200123364,0.7629617572476184,0.3884329381125351,0.45462956617092726,0.5947030703858542
EOS-3-29688,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)cc1=O,BUDSIVVXFBKPHW-UHFFFAOYSA-N,3,1,0.5,16,605,451.899,3.241,5,0.404,0.63,1.0,0.43651052018367487,0.49021657185936535,0.3995099719004866,0.43576519772462474,0.44050056541703786
EOS-3-29689,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5CO)n34)s2)nn1,JKWRWQNDVQHLAW-UHFFFAOYSA-N,3,1,0.28,76,126,466.53,3.87,6,0.411,0.69,1.0,0.07303303406209308,0.09445891302857926,0.36217531354944826,0.36289493523404837,0.22314054896854224
EOS-3-29690,Cc1ccc(-c2nnc3cncc(OCc4cnn(-c5cncc(F)c5)c4)n23)c(Cl)c1,NLVHQTBXACQJBA-UHFFFAOYSA-N,3,1,0.494,16,772,435.85,4.052,5,0.414,0.69,1.0,0.41807449797820573,0.5312264409567542,0.7614025769309849,0.7737303817421698,0.6211084744020287
EOS-3-29691,FC(F)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccccn5)c4)n23)cn1,UMNLAJCLWDLFHP-UHFFFAOYSA-N,3,1,0.453,27,69,432.394,3.555,5,0.401,0.63,0.782,0.7495630868343499,0.6504437667055034,0.6637567678706051,0.5735984510999932,0.6593405181276129
EOS-3-29692,N#Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)ccn1,KYWWALMWSIQZGC-UHFFFAOYSA-N,3,1,0.394,46,157,424.399,3.233,5,0.395,0.65,1.0,0.6978188609416763,0.6504523336303201,0.7428123500788157,0.6888835583578918,0.694991775752176
EOS-3-29693,Cc1cn(C)c(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)n1,XFLKBKLUBWMTRR-UHFFFAOYSA-N,3,1,0.573,4,391,449.877,4.267,5,0.398,0.69,1.0,0.7161092454252621,0.8457096840518128,0.6663868137893222,0.6484391062984032,0.7191612123912001
EOS-3-29694,Cc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5cncn5C)c4)n23)c1Cl,YJZWZAJQESERPH-UHFFFAOYSA-N,3,1,0.483,24,624,449.877,4.267,5,0.398,0.69,1.0,0.5833561784661778,0.5268830100747036,0.7926547186621891,0.7587639640874512,0.6654144678226305
EOS-3-29695,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCc5cccnc5Cl)n34)c2)n1,GLJITIJDVVBOSS-UHFFFAOYSA-N,3,1,0.44,2,36,431.847,2.974,5,0.387,0.64,1.0,0.5636950860119252,0.5638150229593585,0.2659430470838188,0.29315160030155574,0.4216511890891645
EOS-3-29696,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)nc1,PWDFATSFIPHHLV-UHFFFAOYSA-N,3,1,0.381,46,565,432.875,3.697,5,0.377,0.67,0.997,0.4992632444657666,0.45932424097046126,0.4501576314166267,0.41660955383455556,0.45633866767185255
EOS-3-29698,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)n5)n34)cn2)n(C)n1,RHVGSHWIIAHQOO-UHFFFAOYSA-N,3,1,0.281,99,601,450.47,2.148,6,0.396,0.58,1.0,0.06700191899115894,0.07127681447467617,0.027354190939620313,0.023130697005003083,0.04719090535261462
EOS-3-29699,OCc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)cn1,CIMNJBIPBFNLKW-UHFFFAOYSA-N,3,1,0.489,2,879,445.87,3.368,5,0.396,0.65,1.0,0.6036512233568638,0.7367126996093483,0.6963881844972929,0.6540675759029538,0.6727049208416147
EOS-3-29700,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)ncn2)cc(C)n1,SAPQKTOELBUQCO-UHFFFAOYSA-N,3,1,0.381,31,238,425.456,2.938,5,0.419,0.61,0.991,0.31163902405592486,0.12325234733739977,0.14399287231855254,0.07008601192515934,0.16224256390925912
EOS-3-29701,Cc1noc(-c2csc(-c3cncc4nnc(-c5cnc(-c6ncnn6C)cc5F)n34)c2)n1,BGTYYRDEQSYTHT-UHFFFAOYSA-N,3,1,0.276,86,852,460.458,3.208,6,0.39,0.65,0.857,0.2230141868274964,0.3143890069220753,0.0797323692687273,0.09227434720032897,0.177352477554657
EOS-3-29702,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(Cl)c5)n4)n23)cn1,CVWBNYZURWUHND-UHFFFAOYSA-N,3,1,0.306,10,681,473.863,3.022,6,0.383,0.67,0.305,0.07684531560551025,0.2578558700568844,0.2659516140086355,0.37248132410389967,0.24328353094373242
EOS-3-29704,CCNC(=O)c1nc(Cc2cncc3nnc(-c4ccc(C)nc4)n23)ccc1Cl,ARJLVOXHZNKFRU-UHFFFAOYSA-N,3,1,0.409,66,5,407.865,2.884,4,0.546,0.81,1.0,0.1955229250908094,0.3286957713659105,0.09403913371256253,0.09228291412514564,0.17763518607360704
EOS-3-29705,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cccnn5)c4)n23)cn1,JMRIACCDWYBPCQ-UHFFFAOYSA-N,3,1,0.273,70,887,433.439,2.501,6,0.412,0.56,0.987,0.07685388253032692,0.06387499143307518,0.17867178397642383,0.17660715509560687,0.12400195325885821
EOS-3-29706,CC(C)(N)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4F)n23)cn1,WQGZWHPJNNMTGA-UHFFFAOYSA-N,3,1,0.383,90,225,414.847,3.903,4,0.512,0.7,0.939,0.3806370365293674,0.4593328078952779,0.9228205743266397,0.8678723185525323,0.6576656843259543
EOS-3-29707,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nccc(F)c5F)c4)n23)cc1,YUGFNIKDZCHWGW-UHFFFAOYSA-N,3,1,0.554,1,230,429.43,5.019,5,0.393,0.79,1.0,0.9628195462956617,0.8917226372421355,0.9262644781029402,0.9060636693852375,0.9217175827564937
EOS-3-29708,COc1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1ncc(F)cn1,ZKHGVNNCFUGXNQ-UHFFFAOYSA-N,3,1,0.549,35,467,461.432,3.552,5,0.363,0.66,1.0,0.8791378246864505,0.7845332739359879,0.530018504557604,0.45777362757864437,0.6628658076896718
EOS-3-29709,FC(F)c1cnc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4)n23)cn1,QDSDHJFZGOLYES-UHFFFAOYSA-N,3,1,0.444,7,535,433.382,2.95,5,0.398,0.59,1.0,0.569400657939826,0.55008224247824,0.579766636967994,0.46401034884517856,0.5408149715578097
EOS-3-29710,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)ncn2)c1,TZRNTFHOJPZBRL-UHFFFAOYSA-N,3,1,0.43,18,481,432.394,2.938,5,0.377,0.63,0.99,0.7255071619491468,0.5359982180796381,0.49516825440339934,0.5044462339798506,0.5652799671030087
EOS-3-29711,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(Cl)c4)n23)nc1,YKTOJPHELPFMMZ-UHFFFAOYSA-N,3,1,0.318,64,449,465.908,4.364,6,0.381,0.73,0.991,0.18174730998560756,0.21719724487697897,0.43568809540127473,0.5277654033308203,0.3405995133986704
EOS-3-29712,Cc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,SJGHFTYYSPKJEU-UHFFFAOYSA-N,3,1,0.43,51,775,449.837,3.113,5,0.398,0.61,0.986,0.7039527791104105,0.7414073744088822,0.18835240901925845,0.2221317935713796,0.46396108902748273
EOS-3-29713,Cc1nc(C)n(-c2ccc(-c3cncc4nnc(-c5cnncc5-c5cccc(F)c5)n34)cn2)n1,JCCJNSYBBMIKND-UHFFFAOYSA-N,3,1,0.333,10,151,464.468,3.647,6,0.389,0.63,1.0,0.02201699677883627,0.13723356863820163,0.2588324994859845,0.31190459872524157,0.18249691590706602
EOS-3-29714,Clc1nccnc1CCOc1cncc2nnc(-c3cc(-c4ccsn4)ncn3)n12,FVFDNIJTIWNPSB-UHFFFAOYSA-N,3,1,0.419,31,194,437.876,2.77,5,0.395,0.63,0.874,0.45293331505722706,0.43741861421424166,0.06091083544650812,0.10658111164416421,0.2644609690905353
EOS-3-29715,Cc1nc(-c2cccc(-c3cncc4nnc(-c5cc(Cl)ccc5Cl)n34)n2)n(C)n1,KSKITTOGBVUPBJ-UHFFFAOYSA-N,3,1,0.346,22,140,437.294,4.264,5,0.419,0.64,0.988,0.1184805702145158,0.2529641559865671,0.310037009115208,0.49447433349324926,0.293989017202385
EOS-3-29716,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,IUIBNMRKGLNDCK-UHFFFAOYSA-N,3,1,0.641,16,32,418.848,3.308,5,0.432,0.7,1.0,0.5093636488246179,0.645346446439586,0.3584058666301145,0.4069546295661709,0.48001764786512235
EOS-3-29717,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nc(C)n2)cn1,TZXFDGRAQWFGJD-UHFFFAOYSA-N,3,1,0.435,31,330,425.456,2.672,5,0.405,0.63,1.0,0.5067935713796176,0.17198101569460628,0.08470118566239462,0.06036255225824138,0.20595958124871497
EOS-3-29718,Clc1ccnc(CCOc2cncc3nnc(-c4cnnc(-c5ccccn5)c4)n23)c1,IJVXHQJEYGJHMZ-UHFFFAOYSA-N,3,1,0.489,58,778,430.859,3.313,5,0.404,0.6,0.77,0.637404907134535,0.6843944897539579,0.32131108217394283,0.3946610924542526,0.5094428928791721
EOS-3-29719,Cc1cc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)s2)cs1,UWKRBXZYIASNBH-UHFFFAOYSA-N,3,1,0.413,53,128,441.929,4.307,5,0.401,0.68,1.0,0.38508327050921803,0.5544428072099239,0.12068226989239943,0.1904684394489754,0.31266919676512916
EOS-3-29720,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ncco4)cc3)n12,GCDQNXSZQPRRNZ-UHFFFAOYSA-N,3,1,0.518,97,666,422.807,4.213,5,0.392,0.76,1.0,0.9239428414776232,0.8353694057980947,0.8136436844630252,0.7947364813926393,0.8419231032828456
EOS-3-29721,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)c4)n23)nc1,CSOWFZISTXLPHW-UHFFFAOYSA-N,3,1,0.373,33,346,483.467,2.649,6,0.371,0.82,1.0,0.455306353231444,0.19351826468370914,0.1206908368172161,0.13806456034541842,0.22689500376944693
EOS-3-29723,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nncnc4-c4ccncc4)n23)cc1,HZGKFDXGFOQGIN-UHFFFAOYSA-N,3,1,0.456,71,415,463.465,2.413,6,0.362,0.62,1.0,0.3783239668288671,0.19814440408470976,0.11493386334041532,0.11116441642108149,0.20064166266876843
EOS-3-29724,CCc1nc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)ccc1-c1ncc(F)cn1,GSFBJAQWXZUPBZ-UHFFFAOYSA-N,3,1,0.473,46,717,453.441,3.19,5,0.381,0.63,0.638,0.7192961414570626,0.6025032554314304,0.30286649304365704,0.2665941333698855,0.4728150058255089
EOS-3-29725,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,NBGVYYLZYFXOGT-UHFFFAOYSA-N,3,1,0.528,15,475,432.875,3.257,5,0.38,0.65,1.0,0.6374134740593517,0.6600558563498047,0.3395586320334453,0.3724898910287163,0.5023794633678296
EOS-3-29726,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nc(Cl)n2)nc1,UOTMOQDPKDJOHE-UHFFFAOYSA-N,3,1,0.456,18,773,444.886,3.622,5,0.366,0.66,1.0,0.664690562675622,0.5176050304982523,0.2696353916798026,0.2753066959084367,0.4318094201905284
EOS-3-29727,COc1cc(-c2nnc(C)s2)ccc1-c1nnc2cncc(OCc3ccc(F)c(C)n3)n12,OZFBNTLGARAGIF-UHFFFAOYSA-N,3,1,0.457,4,677,463.498,4.048,5,0.372,0.74,1.0,0.5247498457953533,0.5312350078815709,0.3137464875608252,0.1986327187992598,0.3920910150092523
EOS-3-29728,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C)s5)n34)cn2)nn1,ZBFVFGSQPALTHC-UHFFFAOYSA-N,3,1,0.297,76,14,452.507,3.476,6,0.4,0.66,0.994,0.02771400178192036,0.09446747995339592,0.09177746556096224,0.08653450757316154,0.07512336371736002
EOS-3-29729,CCn1c(CF)nc(-c2ccc(C#N)cn2)c1-c1cncc2nnc(-c3ccc(C)nc3)n12,GLGLDFOARNZACN-UHFFFAOYSA-N,3,1,0.333,50,974,439.458,3.781,5,0.41,0.67,0.28,0.22592694126516347,0.18912343225275854,0.15617503940785415,0.20155404016174355,0.1931948632718799
EOS-3-29730,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)n1,MRXRRZDSCHXDQH-UHFFFAOYSA-N,3,1,0.563,44,570,462.435,4.596,5,0.367,0.74,1.0,0.8885957096840518,0.842351449523679,0.8589884175176479,0.8615413611130148,0.8628692344595984
EOS-3-29731,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cccc(-c4cccnc4)c3)n12,WHNSOKGWFSRABG-UHFFFAOYSA-N,3,1,0.494,97,91,432.846,4.62,5,0.403,0.69,1.0,0.8441762045096293,0.7967325748749229,0.8953293125899527,0.9036906312110204,0.8599821807963813
EOS-3-29732,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccccc6)nn5)n34)cc2)cc1,KZTVUEGJXBPLNU-UHFFFAOYSA-N,3,1,0.417,93,810,427.471,4.977,6,0.395,0.82,1.0,0.17299191282297308,0.19815297100952642,0.5400161058186553,0.6540761428277705,0.39130928311973134
EOS-3-29733,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)on1,LRCBKTNAMLDEJM-UHFFFAOYSA-N,3,1,0.433,31,194,434.847,3.215,5,0.397,0.64,0.951,0.4668631348091289,0.4329638133095744,0.2092043040230279,0.23390274826948118,0.33573350010280306
EOS-3-29734,Cc1ncnc(-c2ccccn2)c1-c1nnc2cncc(-c3ccc(-c4cncnn4)cn3)n12,OIBZCBVGZYNBRF-UHFFFAOYSA-N,3,1,0.282,70,892,445.45,2.866,6,0.399,0.59,1.0,0.07304160098690973,0.04854876293605647,0.10652114317044753,0.12715029812898362,0.08881545130559934
EOS-3-29735,N#Cc1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(-c5ncon5)nn4)n23)cc1F,YDWSXYFAJQNTMV-UHFFFAOYSA-N,3,1,0.349,10,693,462.408,3.371,6,0.382,0.64,1.0,0.3806456034541841,0.42836337468302377,0.4641302857926119,0.5109999314646014,0.4460347988486053
EOS-3-29736,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cc1,NVLKBTDWUKXGHT-UHFFFAOYSA-N,3,1,0.457,19,207,447.861,4.057,5,0.387,0.63,1.0,0.6828867109862243,0.7675793297238024,0.6690082927832225,0.7613683092317182,0.7202106606812418
EOS-3-29737,Fc1ccccc1-c1cnnc(-c2cncc3nnc(-c4ccc(-c5cccs5)cn4)n23)n1,IMCKDUQBWVNLAR-UHFFFAOYSA-N,3,1,0.333,10,77,452.478,4.573,6,0.387,0.7,0.839,0.21219416078404496,0.3675382084846823,0.42811493386334043,0.547632101980673,0.3888698512781852
EOS-3-29738,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n1,KKEUHEURAMDSLQ-UHFFFAOYSA-N,3,1,0.284,42,154,432.451,3.404,6,0.449,0.57,1.0,0.15686039339318758,0.11628743746144884,0.2884826262764718,0.26660270029470223,0.20705828935645262
EOS-3-29740,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc(Cl)n2)n1,LNIRRLGQBIOLRH-UHFFFAOYSA-N,3,1,0.517,58,56,443.898,4.227,5,0.363,0.71,1.0,0.8142262353505586,0.7587725310122678,0.4745648002193133,0.46083201973819476,0.6270988965800837
EOS-3-29741,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)nc1,HKGOQEIZKROYOY-UHFFFAOYSA-N,3,1,0.319,70,687,421.424,3.304,6,0.426,0.62,0.999,0.11292063600849839,0.06749880063052567,0.27345624014803643,0.24270098005619903,0.17414416421081488
EOS-3-29742,Cn1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)c1,VQPOJSJEBRSBFI-UHFFFAOYSA-N,3,1,0.489,87,227,432.875,3.257,5,0.406,0.62,1.0,0.6177095469810157,0.5837159893084778,0.39951853882530325,0.3946696593790693,0.4989034336234665
EOS-3-29744,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)c(F)c1,YZQITSRAGQDKOR-UHFFFAOYSA-N,3,1,0.489,73,469,453.84,4.097,5,0.398,0.65,1.0,0.7316667808923308,0.7414159413336988,0.879797477897334,0.8727554656980331,0.8064089164553492
EOS-3-29745,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)c1,IMBNRJBFSGOSHP-UHFFFAOYSA-N,3,1,0.442,18,211,450.865,3.396,5,0.366,0.65,0.999,0.5478377081762731,0.47241450209032965,0.5829706668494278,0.5672246590363923,0.5426118840381058
EOS-3-29746,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc2F)c1,ZFXPKWVYQJLTDG-UHFFFAOYSA-N,3,1,0.518,16,55,435.85,3.958,5,0.389,0.68,1.0,0.8811253512439174,0.7801298745802207,0.809600095949558,0.7924319786169557,0.8158218250976629
EOS-3-29747,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cccnc4Cl)n23)c(F)c1,GAFQHAUGASEYLS-UHFFFAOYSA-N,3,1,0.5,16,772,435.85,3.958,5,0.389,0.68,1.0,0.6828952779110411,0.6844030566787745,0.7708090603796861,0.7639726543759852,0.7255200123363718
EOS-3-29748,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ccc2F)cn1,LAPKJHDEJOFLOE-UHFFFAOYSA-N,3,1,0.535,16,253,463.86,3.507,5,0.381,0.72,1.0,0.8940100061681858,0.8491364539784799,0.7663542594750189,0.7485350558563498,0.8145089438695086
EOS-3-29749,c1ccc(-c2nccnc2-c2nnc3cncc(Cc4ccc(-c5csnn5)cc4)n23)nc1,BSRVXGSPDLALKL-UHFFFAOYSA-N,3,1,0.327,64,114,449.503,3.753,6,0.392,0.68,0.947,0.06911794942087589,0.05212117058460695,0.1656329244054554,0.21912480296072923,0.12649921184291688
EOS-3-29750,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cnc(Cl)nc1,GGYNHNVBYDQSIR-UHFFFAOYSA-N,3,1,0.461,65,462,433.863,2.652,5,0.376,0.67,0.996,0.389700842985402,0.34833972997052975,0.1951545473236927,0.20477520389281065,0.28449258104310876
EOS-3-29751,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)nc1,WHIRSCPFQDVTPA-UHFFFAOYSA-N,3,1,0.347,32,945,462.904,5.026,6,0.362,0.85,1.0,0.28783153999040506,0.32870433829072715,0.5537146186005072,0.6339267356589678,0.45104430813515184
EOS-3-29752,Cc1nc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)ncc1F,BEVDQZWXSGWVHU-UHFFFAOYSA-N,3,1,0.42,31,65,447.409,2.641,5,0.387,0.6,0.999,0.667551915564389,0.545130559934206,0.24456000274141595,0.26039167980261807,0.4294085395106572
EOS-3-29753,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2)s1,FPZRKQCEUSRTCU-UHFFFAOYSA-N,3,1,0.532,20,846,416.47,3.03,5,0.416,0.75,1.0,0.5863203344527449,0.5312435748063875,0.0819940374203276,0.07211637310670961,0.31791857994654243
EOS-3-29754,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)c1,WWSLMVIWJCICRZ-UHFFFAOYSA-N,3,1,0.325,3,581,466.415,3.441,6,0.385,0.62,1.0,0.22890823110136385,0.3334075800150778,0.5502193132753067,0.6655815228565554,0.4445291618120759
EOS-3-29755,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)on2)nn1,BOLXBTYEDFTJPO-UHFFFAOYSA-N,3,1,0.489,56,833,455.442,1.949,6,0.366,0.66,1.0,0.29874580220683983,0.18065931053389075,0.05892330888904119,0.04256904941402234,0.14522436776094855
EOS-3-29756,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)ncc1F,ZFBNQJHFXCSGDK-UHFFFAOYSA-N,3,1,0.494,16,55,449.396,3.948,5,0.375,0.67,1.0,0.8752741415941334,0.762970324172435,0.7884997601261051,0.727280515386197,0.7885061853197177
EOS-3-29757,CCn1nc(-c2ccsc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,RTDZJRMFBLVAJX-UHFFFAOYSA-N,3,1,0.302,70,191,451.519,4.255,6,0.386,0.67,1.0,0.06512576245630869,0.10071276814474676,0.047717771228839696,0.07786477965869372,0.07285527037214722
EOS-3-29758,Cc1cc(CO)nc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)n1,PPHIQSQWRLRUQC-UHFFFAOYSA-N,3,1,0.457,65,778,441.455,1.856,5,0.398,0.61,1.0,0.4157699952025221,0.26840175450620246,0.08704852306216161,0.06841546158590912,0.20990893358919882
EOS-3-29759,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccnc5)n4)n23)nc1,FDPYKNUPKHZXFJ-UHFFFAOYSA-N,3,1,0.257,99,286,422.416,1.624,6,0.416,0.58,0.987,0.008746830237817834,0.017930573641285724,0.034550407785621275,0.03884243711877185,0.02501756219587417
EOS-3-29760,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(Cl)ncc5F)c4)n23)nn1,PPOWJAPGRURKNJ-UHFFFAOYSA-N,3,1,0.398,46,511,448.849,3.718,5,0.375,0.68,0.999,0.694863271879926,0.6358371598930848,0.6201425536289493,0.62507710232335,0.6439800219313275
EOS-3-29761,Cn1nnnc1COc1cncc2nnc(-c3cncc(-c4cncn4CCCF)c3)n12,UYILHPFVWIUHNM-UHFFFAOYSA-N,3,1,0.347,92,905,435.427,1.512,5,0.356,0.66,1.0,0.22593550818998012,0.2123140977314783,0.011976560893701596,0.01564320471523542,0.11646734288259886
EOS-3-29762,CCn1ncnc1-c1cncc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)c1,HISRZFDNERCEOO-UHFFFAOYSA-N,3,1,0.418,92,185,468.403,2.852,5,0.37,0.67,0.993,0.32411246658899323,0.37720169967788364,0.36574772119799875,0.2164690562675622,0.32088273593310945
EOS-3-29763,N#Cc1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1ccccn1,XZDAUBLKWIJORO-UHFFFAOYSA-N,3,1,0.436,44,910,457.856,4.491,5,0.383,0.71,0.962,0.8575748749228976,0.8583030635323144,0.8448701254197793,0.858183126584881,0.8547327976149681
EOS-3-29764,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4F)n23)cn1,VZFXCQKWZCCILG-UHFFFAOYSA-N,3,1,0.477,7,815,414.404,3.065,5,0.432,0.76,1.0,0.6829038448358578,0.7228599821807964,0.45016619834144334,0.3885186073607018,0.5611121581796998
EOS-3-29765,Cc1nc(-c2ncccn2)c(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)s1,KEEQQNGFRPPWCS-UHFFFAOYSA-N,3,1,0.256,94,165,450.491,3.532,6,0.397,0.63,0.993,0.03640086354602152,0.08836782948392845,0.06091940237132479,0.08137721883352751,0.06676632855870057
EOS-3-29766,Fc1cnc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)cn1,JQIFVBMHIPQUNJ-UHFFFAOYSA-N,3,1,0.292,46,395,421.783,3.018,5,0.403,0.66,0.813,0.6147967925433486,0.6358457268179014,0.45391851141114387,0.4733568638201631,0.5444794736481393
EOS-3-29767,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cnco5)c4)n23)nc1,ATEYOFRAQLUJHQ-UHFFFAOYSA-N,3,1,0.238,86,249,423.4,2.187,6,0.414,0.64,0.998,0.004274895483517237,0.003195462956617093,0.03586971420738812,0.037557398396271674,0.02022436776094853
EOS-3-29768,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccoc6)cn5)n34)nc2)cn1,QXGAUKVQBFXHLB-UHFFFAOYSA-N,3,1,0.382,6,318,436.435,4.034,6,0.398,0.69,1.0,0.2934086080460558,0.15231135631553697,0.48863169076828183,0.3976766499897197,0.33300707627989856
EOS-3-29769,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)cn2)cn1,NPPUMFWMZRRMHY-UHFFFAOYSA-N,3,1,0.471,55,282,435.9,4.246,5,0.407,0.7,1.0,0.6889263929819752,0.7320865602083476,0.5057227057775341,0.4672058118017956,0.5984853676924131
EOS-3-29770,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)c2)cn1,PBOLHTNUFVACRR-UHFFFAOYSA-N,3,1,0.27,98,727,434.467,3.049,6,0.42,0.56,1.0,0.0670104859159756,0.041343979165238846,0.2519104242341169,0.24839798505928312,0.15216571859365363
EOS-3-29771,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)n1,KQWHFPMMIVBQII-UHFFFAOYSA-N,3,1,0.321,30,945,450.893,4.754,6,0.36,0.78,0.999,0.013193064217668426,0.1446353916798026,0.5891988211911452,0.6743283530943732,0.3553389075457474
EOS-3-29773,Fc1cc(-c2cocn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,YYRKMQULVXEXNE-UHFFFAOYSA-N,3,1,0.367,32,20,435.422,4.709,6,0.396,0.7,1.0,0.2582585155232678,0.3287129052155438,0.7142245219655953,0.7272890823110136,0.5071212562538552
EOS-3-29774,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nc(C(F)F)nn4CC(F)F)n23)cc1,UMYKXKWMVPMQCK-UHFFFAOYSA-N,3,1,0.316,50,542,457.395,3.653,5,0.362,0.7,0.993,0.22891679802618053,0.24811527654033308,0.42085874854362276,0.4102614625454047,0.32703807141388525
EOS-3-29775,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)cn1,JUTSOOQUNOOENX-UHFFFAOYSA-N,3,1,0.558,75,530,428.431,3.107,5,0.406,0.6,1.0,0.7524158727983004,0.6648876019464053,0.4208673154684395,0.3560756630799808,0.5485616133232815
EOS-3-29776,Cc1ccc(F)c(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)cnn2)c1,JDSCSJUNPBLTTR-UHFFFAOYSA-N,3,1,0.465,37,699,445.433,3.851,5,0.392,0.64,1.0,0.722405935165513,0.6745767939140566,0.6583767390857378,0.6655900897813721,0.6802373894866699
EOS-3-29777,Cn1ccnc1-c1cnc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1Cl,NSGGATWWANEFCR-UHFFFAOYSA-N,3,1,0.433,46,62,436.838,3.353,5,0.39,0.6,1.0,0.6615722020423549,0.5731615379343431,0.5333082036872044,0.5411298060448222,0.5772929374271811
EOS-3-29778,N#Cc1cccnc1-n1cc(-c2cncc3nnc(-c4nccnc4-c4ccncn4)n23)cn1,NDCQMWZRVSDKBW-UHFFFAOYSA-N,3,1,0.259,86,953,444.422,2.158,6,0.396,0.58,0.915,0.007530326913851004,0.011359742306901515,0.11791515317661572,0.1526797340826537,0.07237123912000548
EOS-3-29779,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)cnn4)n23)cn1,OGBSPIWTWSCVMQ-UHFFFAOYSA-N,3,1,0.457,54,873,448.849,3.452,5,0.364,0.63,1.0,0.7699266671235693,0.6942378863683092,0.5469210472208896,0.6041395380714139,0.6538062846960455
EOS-3-29780,CCc1ccc(F)cc1-c1nnc2cncc(-c3nc(-c4ccc(Cl)nc4)no3)n12,XCORLMVCQDRTMX-UHFFFAOYSA-N,3,1,0.333,50,155,421.823,4.258,5,0.4,0.77,0.799,0.29341717497087244,0.5086354602152011,0.495176821328216,0.5891045850181619,0.47158351038311286
EOS-3-29781,COc1ncc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cccnn1,LJRMJQBMAOSJJO-UHFFFAOYSA-N,3,1,0.474,87,304,444.43,2.808,5,0.374,0.63,1.0,0.6615807689671716,0.6075320402988144,0.30632753066959084,0.24270954698101568,0.45453747172914816
EOS-3-29782,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2F)nn1,HKTCVFQNDWWBPA-UHFFFAOYSA-N,3,1,0.529,20,658,429.419,2.502,5,0.401,0.58,1.0,0.7869834144335549,0.8552104036734973,0.18182441230895757,0.17956274415735726,0.5008952436433417
EOS-3-29783,Cc1nccn1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4Cl)n23)cn1,PTMMIQBKSBKNDR-UHFFFAOYSA-N,3,1,0.494,59,109,452.305,4.566,5,0.389,0.76,1.0,0.47180625042834623,0.522256870673703,0.737569392091015,0.7664656294976355,0.624524535672675
EOS-3-29784,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cn2)n(C)n1,FNILPLPZOKNDKD-UHFFFAOYSA-N,3,1,0.478,4,617,434.41,3.147,5,0.392,0.65,1.0,0.4793965458159139,0.5043434308820506,0.4679254334863957,0.4069631964909876,0.4646571516688369
EOS-3-29785,Fc1ccc(-c2cccc(Cl)n2)cc1COc1cncc2nnc(-c3ccncc3)n12,JEKYAROGHYTKKL-UHFFFAOYSA-N,3,1,0.512,97,666,432.846,4.62,5,0.377,0.74,1.0,0.8194606264135426,0.8206514289630594,0.8846806250428346,0.8906346377904187,0.8538568295524638
EOS-3-29787,Fc1ccccc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnc1F,VWVITXKSHVPQEC-UHFFFAOYSA-N,3,1,0.549,34,929,450.836,4.759,5,0.384,0.74,1.0,0.9303766020149408,0.9770063737920636,0.8498389418134467,0.8934959906791858,0.9126794770749093
EOS-3-29788,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cn1,GNCQRAOJGBIZOJ-UHFFFAOYSA-N,3,1,0.388,80,816,464.453,1.808,6,0.355,0.63,1.0,0.3527773970255637,0.21720581180179563,0.07974093619354397,0.06037111918305805,0.17752381605099032
EOS-3-29789,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)cn4)n23)cc1,DASVGPJYCYFIOK-UHFFFAOYSA-N,3,1,0.571,89,850,413.397,2.519,5,0.449,0.74,1.0,0.44815297100952645,0.18475430059625797,0.33956719895826193,0.21065211431704475,0.29578164622027275
EOS-3-29790,Clc1ccc(-c2nnc3cncc(OCc4ncnc(-c5ccccn5)n4)n23)nc1,ODEZLYKAQNBAGQ-UHFFFAOYSA-N,3,1,0.466,46,128,417.82,2.666,5,0.425,0.64,0.998,0.5720649715578096,0.6796741141799739,0.11186690425604826,0.16863134809128916,0.3830593345212802
EOS-3-29791,COCc1ncc(-c2cc(-c3nnc4cncc(Cc5cn(C)nc5Cl)n34)ccn2)cn1,BFBFNTDJBOGITN-UHFFFAOYSA-N,3,1,0.327,85,976,447.89,2.767,5,0.391,0.63,1.0,0.1902542663285587,0.21232266465629498,0.18519121376190803,0.17957131108217395,0.19183486395723393
EOS-3-29792,CCn1c(-c2cccc(F)c2F)nnc1-c1cncc2nnc(-c3cc(OC)ccc3F)n12,MWKJTSOWARGHAR-UHFFFAOYSA-N,3,1,0.351,22,252,451.412,4.163,5,0.399,0.68,1.0,0.3191864848194092,0.517613597423069,0.5988880131587965,0.6685114111438558,0.5260498766362827
EOS-3-29793,N#Cc1ccc(-c2nnc3cncc(OCc4c(Cl)ccc(Cl)c4F)n23)cn1,WYZIMHPLVNVIHB-UHFFFAOYSA-N,3,1,0.519,90,255,415.215,4.083,4,0.467,0.76,1.0,0.9347028990473579,0.9458227674593928,0.9589387293537112,0.968019669659379,0.9518710163799602
EOS-3-29794,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccccc4-c4cncnc4)n23)cn1,BQJAWRUEECWKEX-UHFFFAOYSA-N,3,1,0.316,42,106,431.463,3.711,6,0.419,0.61,0.825,0.16224898910287164,0.05989137139332465,0.3774929751216503,0.3821019806730176,0.24543382907271605
EOS-3-29795,COc1nc(-c2cnnn2C)ccc1-c1nnc2cncc(OCc3cncc(Cl)n3)n12,MUHVCKCNSXDFJW-UHFFFAOYSA-N,3,1,0.429,92,94,450.85,2.013,5,0.378,0.63,0.963,0.25826708244808444,0.367546775409499,0.07104550750462614,0.05731272702350764,0.18854302309642929
EOS-3-29796,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,DAQNCKJHROCLGM-UHFFFAOYSA-N,3,1,0.41,31,873,445.874,3.017,5,0.363,0.64,0.637,0.49665889932149954,0.5222654375985196,0.1883609759440751,0.21374477417586182,0.35525752175998904
EOS-3-29797,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)c1,DULWPXOJKVFIER-UHFFFAOYSA-N,3,1,0.542,43,521,416.391,4.106,5,0.429,0.76,1.0,0.8142348022753753,0.7717599890343362,0.9188369542868892,0.9137910355698718,0.8546556952916181
EOS-3-29798,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)nn5)ncc4F)n23)cc1,BVMXYALBATWUCB-UHFFFAOYSA-N,3,1,0.518,89,250,428.431,3.373,5,0.42,0.59,1.0,0.7954561030772394,0.7135306010554452,0.377501542046467,0.34023541909396204,0.5566809163182784
EOS-3-29799,COc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(C)c(F)c1,ILXAHDXMZBYNTP-UHFFFAOYSA-N,3,1,0.5,35,657,456.481,4.326,5,0.36,0.76,1.0,0.7612398053594681,0.7135391679802618,0.6990353642656432,0.5736070180248098,0.6868553389075458
EOS-3-29800,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)cc(F)c4F)n23)ncn1,YFQNIOJXEQQESG-UHFFFAOYSA-N,3,1,0.374,46,223,450.384,3.343,5,0.402,0.58,1.0,0.767279487355219,0.6403090946473854,0.7777568364060037,0.7219433212254129,0.7268221849085053
EOS-3-29801,Cc1nnc(-c2cccc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)s1,OQBVVZPGNYEHFG-UHFFFAOYSA-N,3,1,0.418,14,18,418.457,4.336,5,0.423,0.77,1.0,0.3621239120005483,0.5405301213076554,0.4780001370707971,0.497524158727983,0.46954458227674595
EOS-3-29804,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ncn2)n(C)n1,CFRGMTSADAWGGG-UHFFFAOYSA-N,3,1,0.468,36,463,449.425,3.202,5,0.389,0.64,1.0,0.5017647865122336,0.49022513878418206,0.3695685696662326,0.32103694057980947,0.42064885888561443
EOS-3-29805,Cc1nc(-c2[nH]c(C)nc2C)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)n1,FHCZEVWXBOUHLC-UHFFFAOYSA-N,3,1,0.37,31,851,462.905,2.962,5,0.404,0.67,0.659,0.4744277294222466,0.3383763964087451,0.041472483037488864,0.038851004043588516,0.22328190322801728
EOS-3-29806,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cn1,PRYZSYQJNODYIP-UHFFFAOYSA-N,3,1,0.301,38,57,420.436,3.909,6,0.426,0.69,1.0,0.10276883010074704,0.07813035432801042,0.46413885271742855,0.42307758207113977,0.26702890480433145
EOS-3-29807,Fc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1cccnn1,SMPBMAGIJKNVIW-UHFFFAOYSA-N,3,1,0.583,27,996,466.383,3.358,5,0.356,0.69,1.0,0.9264272496744569,0.9406740456445755,0.6637653347954219,0.6309540127475841,0.7904551607155095
EOS-3-29808,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5cnc(C(F)F)cn5)n34)cn2)nn1,QODHMWSVGNBWFT-UHFFFAOYSA-N,3,1,0.289,85,362,432.398,2.665,5,0.413,0.57,0.993,0.23704680967719827,0.18476286752107463,0.2411160989651155,0.2137533411006785,0.21916977931601672
EOS-3-29809,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4csc(-c5c[nH]nn5)c4)n23)c1,JNIPKRWDUCAXKS-UHFFFAOYSA-N,3,1,0.303,39,972,441.455,3.901,6,0.442,0.63,0.961,0.1322647522445343,0.27351620862175313,0.35093550818998015,0.4608405866630114,0.30438926392981974
EOS-3-29810,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c2)cn1,DHGCYTYKQRNCJR-UHFFFAOYSA-N,3,1,0.506,15,388,446.902,3.74,5,0.375,0.63,1.0,0.41347405935165515,0.4148362003975053,0.23738948666986498,0.25461757247618394,0.33007932972380233
EOS-3-29811,CCn1c(-c2ccnnc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,ULOMYBLCVFSFMH-UHFFFAOYSA-N,3,1,0.279,86,754,448.454,2.379,6,0.386,0.59,1.0,0.05641319991775752,0.04855732986087314,0.0284764580906038,0.04257761633883901,0.04400615105201837
EOS-3-29812,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5nncs5)s4)n23)nc1,DUUSBZGPOIZEHC-UHFFFAOYSA-N,3,1,0.373,33,53,477.535,2.633,6,0.375,0.71,1.0,0.19844424645329312,0.1162960043862655,0.006862106778150915,0.007633130011651018,0.08230887190734013
EOS-3-29813,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1nccn1C,YJNKUKURXCNDEK-UHFFFAOYSA-N,3,1,0.458,20,279,462.901,3.265,5,0.363,0.68,1.0,0.595187101637996,0.4951596874785827,0.26964395860461926,0.21647762319237887,0.39411709272839424
EOS-3-29814,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)cn2)n1,AAXWAIAKNGDQDN-UHFFFAOYSA-N,3,1,0.282,99,813,454.433,1.978,6,0.392,0.57,1.0,0.14542354876293606,0.1981615379343431,0.1065297100952642,0.11818929477074909,0.1420760228908231
EOS-3-29815,CCn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cccc(Cl)n1,ZDWCSPNFOCTFMO-UHFFFAOYSA-N,3,1,0.444,95,493,446.902,3.74,5,0.351,0.73,1.0,0.279632992940854,0.1935268316085258,0.1786803509012405,0.23391131519429786,0.22143787266122952
EOS-3-29816,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,BVARQROWDMKHFS-UHFFFAOYSA-N,3,1,0.484,65,184,450.865,3.396,5,0.391,0.61,1.0,0.6798711534507573,0.6215903639229662,0.5537231855253238,0.5606880954012747,0.6039681995750805
EOS-3-29817,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4Cl)n23)ncn1,XJLZSOYYMZNMEA-UHFFFAOYSA-N,3,1,0.49,4,463,461.873,2.313,5,0.406,0.6,1.0,0.39625454047015285,0.4101586594476047,0.26596018093345214,0.20755945445822768,0.31998320882735937
EOS-3-29819,COc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(F)cc5Cl)n34)c2)cn1,DWHYJQAUMCCKOG-UHFFFAOYSA-N,3,1,0.4,46,160,463.86,4.023,5,0.348,0.73,1.0,0.679879720375574,0.6600644232746213,0.7546347063258173,0.6833664587759578,0.6944863271879926
EOS-3-29820,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cnc1-c1nc[nH]n1,NGJSFYLFPHLTIF-UHFFFAOYSA-N,3,1,0.524,47,425,455.417,2.475,6,0.386,0.61,1.0,0.7897419642245219,0.6554811184977041,0.27346480707285314,0.25146494414365017,0.4925382084846823
EOS-3-29821,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)c(Cl)c1,ZIURGNKJCQXIMA-UHFFFAOYSA-N,3,1,0.31,94,615,466.896,3.759,6,0.386,0.69,0.988,0.23705537660201495,0.2684103214310191,0.3063360975944075,0.39467822630388594,0.30162000548283185
EOS-3-29823,COc1ncccc1-c1cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ncn1,GWMSMFOAMOFWIR-UHFFFAOYSA-N,3,1,0.373,46,238,444.43,3.073,5,0.39,0.62,0.957,0.5922657802755124,0.4374271811390583,0.3736378589541498,0.2368840381056816,0.4100537146186005
EOS-3-29824,COc1ncccc1-c1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)nn1C,NRNDHTGVTSYOPQ-UHFFFAOYSA-N,3,1,0.394,31,662,431.46,2.216,5,0.402,0.62,0.997,0.09302823658419573,0.06750736755534234,0.04955966006442328,0.01505208690288534,0.05628683777671167
EOS-3-29825,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3cncnc3Oc3ccccc3)n12,JHXJFLPGNPRAJN-UHFFFAOYSA-N,3,1,0.354,30,615,463.436,4.032,6,0.373,0.68,1.0,0.4769464053183469,0.4812384346514975,0.5600027414159413,0.5704458227674594,0.5221583510383113
EOS-3-29826,CCOCc1cc(C(F)(F)F)cnc1COc1cncc2nnc(-c3ccc(F)cc3)n12,BOOWJVGIDZWSMJ-UHFFFAOYSA-N,3,1,0.554,90,12,447.392,4.46,4,0.39,0.74,0.999,0.8487680762113632,0.9120776506065382,0.9774689877321636,0.9434839969844425,0.920449677883627
EOS-3-29827,COc1ncc(-c2noc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)n2)cn1,OUFWUQWDFIIVJV-UHFFFAOYSA-N,3,1,0.3,39,449,468.412,2.903,6,0.368,0.7,1.0,0.4817952847645809,0.3864368446302515,0.0917860324857789,0.11117298334589816,0.2677977863066274
EOS-3-29828,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnsn5)nc4)n23)cn1,HSONUSKJTUJKAE-UHFFFAOYSA-N,3,1,0.517,92,45,432.429,1.173,5,0.412,0.59,0.999,0.34841683229387976,0.19353539853334248,0.028485025015420464,0.015651771640052086,0.1465222568706737
EOS-3-29829,COc1cc(-c2nnc3cncc(OCCc4cn(C)nc4C)n23)ccc1-c1nccn1C,WPLKJIAZFOKXEK-UHFFFAOYSA-N,3,1,0.511,15,460,444.499,2.864,5,0.381,0.63,1.0,0.2478754026454664,0.130131587965184,0.14116578712905214,0.06037968610787472,0.14488811596189433
EOS-3-29830,Clc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ncn2)cn1,VNQXOBMOGKICNL-UHFFFAOYSA-N,3,1,0.419,18,194,437.876,2.77,5,0.369,0.67,0.886,0.5374631622232884,0.5451391268590227,0.12613940100061682,0.15004112123912,0.339695702830512
EOS-3-29831,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cn1,OCGUNARVZKJFHK-UHFFFAOYSA-N,3,1,0.444,7,535,419.836,2.609,5,0.427,0.65,1.0,0.49666746624631625,0.5176221643478857,0.1883695428688918,0.1877270235076417,0.3475965492426839
EOS-3-29833,CCc1cnc(COc2cncc3nnc(-c4cnc(OC)c(-c5ccccn5)c4)n23)cn1,FUXZSHLXNUIBFR-UHFFFAOYSA-N,3,1,0.451,7,535,440.467,3.188,5,0.376,0.67,1.0,0.3293896922760606,0.1764700842985402,0.13810739496950175,0.06842402851072579,0.1780978000137071
EOS-3-29834,CC(O)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5F)cn4)n23)nn1,TVILJJQXZMJGMG-UHFFFAOYSA-N,3,1,0.312,45,140,449.396,3.723,5,0.446,0.58,0.682,0.2823744088821877,0.5086440271400178,0.9131313823589884,0.8781440614077171,0.6455734699472278
EOS-3-29835,Cc1nn(C)cc1-c1cncc(COc2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)c1,HQFJDFXUKGAUBX-UHFFFAOYSA-N,3,1,0.517,92,986,456.51,3.097,5,0.414,0.68,1.0,0.32939825920087723,0.15990165170310466,0.4951853882530327,0.21376190802549516,0.2995618017956274
EOS-3-29836,CCn1c(-c2cnccn2)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)nc3)n12,ZHJIMZDJGRUDDR-UHFFFAOYSA-N,3,1,0.282,99,754,451.458,1.717,6,0.38,0.61,0.866,0.051264478102940166,0.028810568158453842,0.005525666506750737,0.004985950243300665,0.02264666575286135
EOS-3-29837,Cc1ccc(COc2cncc3nnc(-c4cc(F)cc(-c5cnn(C)c(=O)c5)c4)n23)c(F)n1,CPIUWEFXSRIPRS-UHFFFAOYSA-N,3,1,0.463,16,470,461.432,3.113,5,0.371,0.66,1.0,0.429751216503324,0.33341614693989446,0.6718353779727229,0.6041481049962305,0.5097877116030429
EOS-3-29838,Cc1nc(-c2cccnn2)c(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)n1C,LNMWVFIKZDOTLR-UHFFFAOYSA-N,3,1,0.257,70,652,447.466,2.809,6,0.401,0.61,0.339,0.08810225481461174,0.05212973750942362,0.039956137344938664,0.04379411966280584,0.05599556233294496
EOS-3-29839,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(Cl)nn5)n4)n23)cc1,UTVHVCCGCOJBIN-UHFFFAOYSA-N,3,1,0.302,39,527,471.847,3.079,6,0.381,0.66,0.658,0.029890000685353985,0.1639109725173052,0.16905112740730588,0.3240610650400932,0.17172829141251456
EOS-3-29840,Cn1nc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)cc1-c1ccc(F)nc1,AAFLAOGTTODCOS-UHFFFAOYSA-N,3,1,0.447,95,493,450.865,3.396,5,0.366,0.67,1.0,0.4794051127407306,0.46808820505791243,0.5129446233979851,0.5606966623260914,0.50528365088068
EOS-3-29841,Cc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnccn1,OQGVBMNEGRPODK-UHFFFAOYSA-N,3,1,0.416,13,110,433.834,4.537,5,0.411,0.66,1.0,0.7161178123500788,0.694246453293126,0.7015369063121102,0.7219518881502296,0.7084632650263861
EOS-3-29842,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cc(F)c(Cl)nn3)n12,LHKTZOYEMLXOPN-UHFFFAOYSA-N,3,1,0.494,37,325,466.839,3.591,5,0.374,0.65,1.0,0.890394763895552,0.9252450140497567,0.5568501130834076,0.6194914673428826,0.7479953395928998
EOS-3-29843,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)c1F,TVEIQKUZEUEGMW-UHFFFAOYSA-N,3,1,0.346,93,991,451.44,4.984,6,0.378,0.79,1.0,0.06701905284079226,0.31439757384689193,0.8575320402988144,0.9001867589610033,0.5347838564868754
EOS-3-29844,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)c1F,BQCULQLKUWVXNR-UHFFFAOYSA-N,3,1,0.56,75,496,437.435,3.605,5,0.401,0.63,1.0,0.7255157288739634,0.6648961688712219,0.6257110547597834,0.6074206702761976,0.6558859056952916
EOS-3-29845,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c2)cc1,BSLFFZLLHVUEIE-UHFFFAOYSA-N,3,1,0.293,30,191,416.448,4.101,6,0.43,0.74,1.0,0.031226440956754163,0.052138304434240286,0.45017476526626005,0.4791566719210472,0.2531740456445754
EOS-3-29846,Cn1cncc1-c1nnc2cncc(OCc3cnc(F)c(-c4ccnc(Cl)c4)n3)n12,ZJDUSAZIWXNZQM-UHFFFAOYSA-N,3,1,0.379,7,94,437.826,2.748,5,0.386,0.63,1.0,0.33176273045027754,0.2786135288876705,0.31375505448564184,0.3464978411349462,0.317657288739634
EOS-3-29847,Clc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)n1,RZZFTSVKNULNPA-UHFFFAOYSA-N,3,1,0.5,75,241,431.847,2.708,5,0.374,0.66,0.991,0.6948718388047427,0.6649047357960387,0.18837810979370845,0.21377047495031185,0.4404812898362004
EOS-3-29848,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)nn2C)nn1,RLTLIXNOLLBBMR-UHFFFAOYSA-N,3,1,0.479,95,998,448.437,3.19,5,0.394,0.63,0.967,0.39180830649030224,0.3721300801864163,0.43569666232609144,0.4261959427044068,0.4064577479268042
EOS-3-29849,C#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccnc5OC)n34)c2)cn1,NSJIKYSBTZNFPZ-UHFFFAOYSA-N,3,1,0.396,49,160,435.447,3.212,5,0.375,0.68,1.0,0.42522788020012336,0.25297272291138373,0.47800870399561374,0.31801281611952575,0.36855553080666165
EOS-3-29850,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cc2Cl)cc1=O,YQXSEGJPSFIPFC-UHFFFAOYSA-N,3,1,0.545,35,619,465.926,3.283,5,0.379,0.68,1.0,0.5893444589130286,0.5131416626687684,0.3285072990199438,0.3629035021588651,0.44847423069015147
EOS-3-29851,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)cn1,PVGQOCJKDAXWHI-UHFFFAOYSA-N,3,1,0.474,54,873,446.421,3.246,5,0.392,0.6,1.0,0.6403861969707354,0.5638235898841751,0.5797752038928107,0.5508789664861902,0.5837159893084779
EOS-3-29852,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccnn5)nn4)n23)c1F,CDJKXAOHESCQGU-UHFFFAOYSA-N,3,1,0.268,39,972,455.392,2.564,6,0.394,0.57,0.93,0.009372215749434584,0.08837639640874512,0.2588410664108012,0.3821105475978343,0.1846750565417038
EOS-3-29853,N#Cc1cc(-c2ccccc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,ALRDAJRMWHRVCD-UHFFFAOYSA-N,3,1,0.523,1,418,453.893,4.395,5,0.375,0.69,1.0,0.8974025083955863,0.927044068261257,0.7042526214789939,0.7690014392433692,0.8244251593448015
EOS-3-29854,Cc1nc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)c2)cn1C,RWOYPRDUVJZGII-UHFFFAOYSA-N,3,1,0.288,38,193,451.519,4.081,6,0.398,0.65,0.999,0.07919265300527722,0.10738640257693098,0.28109793708450415,0.2514735110684669,0.17978762593379483
EOS-3-29855,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)c2)nn1,NQHFAJWUTRRSHP-UHFFFAOYSA-N,3,1,0.418,6,584,451.454,2.346,6,0.404,0.6,1.0,0.37604516482763345,0.2735247755465698,0.17549345486944007,0.14263073127270234,0.2419235316290864
EOS-3-29856,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)c(F)c1,WSRHKJMXLMJPCE-UHFFFAOYSA-N,3,1,0.472,4,354,436.838,3.353,5,0.39,0.64,1.0,0.6287694469193338,0.6942550202179426,0.6553269138510041,0.6398464807072853,0.6545494654238915
EOS-3-29857,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(F)c5)c4)n23)cc1,BOLQASGXBKMIIM-UHFFFAOYSA-N,3,1,0.479,89,656,481.491,3.859,6,0.352,0.86,1.0,0.612081077376465,0.23766362826399837,0.48167534781714755,0.4791652388458639,0.45264632307586866
EOS-3-29858,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc(F)cc(F)c5)cc4)n23)n1,NCURVHYSIMHTGY-UHFFFAOYSA-N,3,1,0.359,3,74,466.455,4.594,6,0.378,0.76,1.0,0.2637070797066685,0.3287214721403605,0.7015454732369268,0.7613768761565348,0.5138377253101226
EOS-3-29859,Fc1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c(F)c1F,IOHIWAYFZZQMGG-UHFFFAOYSA-N,3,1,0.562,23,255,426.185,4.489,4,0.45,0.68,1.0,0.9566513604276609,0.970187101637996,0.9835943389760812,0.990353642656432,0.9751966109245425
EOS-3-29860,Cc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)nn1,YJJXETKDHWYOQE-UHFFFAOYSA-N,3,1,0.5,92,205,440.427,1.42,5,0.409,0.58,1.0,0.37605373175245016,0.17647865122335687,0.044428072099239255,0.019883832499485984,0.1542110718936331
EOS-3-29861,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)no2)n1C,RLZZRBMQUDGZSQ-UHFFFAOYSA-N,3,1,0.317,98,63,470.884,3.661,6,0.379,0.69,1.0,0.16765471866218903,0.2430008224247824,0.11792372010143239,0.18238982934685766,0.17774227263381537
EOS-3-29862,c1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)cn2)cc1,NYMYMPCTMGDNQX-UHFFFAOYSA-N,3,1,0.292,64,195,417.436,3.496,6,0.433,0.69,0.78,0.0005654170379000754,0.003889383866767185,0.19858131725035982,0.2694297854842026,0.11811647590980742
EOS-3-29863,COc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ccccc4F)ncn3)n12,QETKABMLYNEVGD-UHFFFAOYSA-N,3,1,0.426,44,488,462.872,4.628,5,0.363,0.77,0.99,0.7897505311493387,0.7135477349050785,0.8369885545884449,0.8185011308340758,0.7896969878692345
EOS-3-29864,N#Cc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)c5)cs4)n23)cc1,MBVSTLOEEHNRBS-UHFFFAOYSA-N,3,1,0.553,1,347,444.907,5.019,5,0.378,0.82,1.0,0.795464670002056,0.9178260571585224,0.7730878623809198,0.8242752381605098,0.8276634569255019
EOS-3-29865,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ncn(C)c1C,NGFNOYUDPUHUIX-UHFFFAOYSA-N,3,1,0.523,16,248,433.497,3.544,5,0.404,0.63,1.0,0.3874734425330683,0.19354396545815913,0.2160664108011788,0.10882564594613117,0.22647736618463438
EOS-3-29866,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)cn5)n34)nc2)nc1,XORBABUOCIZYQK-UHFFFAOYSA-N,3,1,0.4,80,34,462.437,1.864,6,0.354,0.63,1.0,0.40037523130697006,0.2529812898362004,0.07771914193681036,0.06659070659995887,0.19941659241998494
EOS-3-29867,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)nc(Cl)n1,DACROKSCZCJXPV-UHFFFAOYSA-N,3,1,0.517,73,10,454.828,3.492,5,0.375,0.66,1.0,0.6736858337331232,0.7629788910972517,0.6525597971352204,0.6685199780686725,0.6894361250085669
EOS-3-29868,CNC(=O)c1ccc(-c2nnc3cncc(Cc4nc(C)c(C)nc4Cl)n23)cc1,YFYFNWRGYKFSJT-UHFFFAOYSA-N,3,1,0.429,66,334,407.865,2.802,4,0.558,0.77,1.0,0.24788396957028305,0.19355253238297582,0.08705708998697828,0.06177609485299157,0.14756742169830717
EOS-3-29869,Fc1cc(-c2ncccc2F)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,YKJYCDUQZMVNHH-UHFFFAOYSA-N,3,1,0.547,34,799,451.824,4.154,5,0.396,0.65,1.0,0.6708930162428894,0.7501884723459666,0.7845761085600713,0.8303834555547941,0.7590102631759303
EOS-3-29870,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)nc1,GBIDSFSMNYWQJT-UHFFFAOYSA-N,3,1,0.25,99,286,423.404,1.019,6,0.403,0.62,0.968,0.0005140154890000686,0.009475018847234597,0.01540333082036872,0.014512370639435269,0.009976183949009664
EOS-3-29871,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)nc5)n34)nc2)n1,QLXRSYNMKXTHEG-UHFFFAOYSA-N,3,1,0.341,32,687,448.515,4.742,6,0.384,0.79,1.0,0.03491021862792132,0.10739496950174765,0.2811065040093208,0.27223116989925294,0.17391071550956066
EOS-3-29872,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncnnc5-c5ccccc5)n34)nc2)cnn1,TVMQLOVZQOUOJR-UHFFFAOYSA-N,3,1,0.265,30,301,444.462,3.471,6,0.402,0.58,0.744,0.0977229113837297,0.031689054896854224,0.2160749777259955,0.2636471112329518,0.1522835138098828
EOS-3-29873,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)c(F)c2)cn1,OPAMAMVIHJYKRU-UHFFFAOYSA-N,3,1,0.459,13,374,421.823,4.172,5,0.405,0.75,1.0,0.5453361661298061,0.6844116236035912,0.8318826673977109,0.822339113151943,0.7209923925707628
EOS-3-29874,Cc1cc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cnn1,VGLXBLYHKQAGKO-UHFFFAOYSA-N,3,1,0.633,43,372,446.873,4.928,5,0.381,0.74,1.0,0.9575594544582277,0.9739308477828799,0.8988246179151532,0.9036991981358372,0.9335035295730244
EOS-3-29875,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5cnc(C)nc5)n34)c2)n1,XIPQOJYTROAZAN-UHFFFAOYSA-N,3,1,0.471,65,858,425.456,2.672,5,0.405,0.61,0.982,0.6005328627235967,0.3334247138647111,0.14691419368103625,0.0962065656911795,0.2942695839901309
EOS-3-29876,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)c2)n(C)n1,BWEJHNVCKBPFHH-UHFFFAOYSA-N,3,1,0.577,15,460,428.5,3.164,5,0.413,0.63,1.0,0.3215509560688095,0.23249777259954765,0.1381159618943184,0.08138578575834418,0.19338761908025495
EOS-3-29877,c1ccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)nc1,IMAZAUCHIYHEAN-UHFFFAOYSA-N,3,1,0.3,32,368,424.449,4.027,6,0.417,0.68,1.0,0.10766054417106435,0.13355835789185114,0.1381245288191351,0.1713042286340895,0.137661914879035
EOS-3-29878,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc(=O)n2C)nn1,NMUIQTYPRWDBKE-UHFFFAOYSA-N,3,1,0.571,19,309,457.469,3.016,5,0.386,0.64,0.995,0.4459084367075595,0.44151360427660885,0.41711500239873894,0.4007864436981701,0.42633087177026935
EOS-3-29879,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5nnc6n5CCOC6)nc4)n23)ccc1Cl,WQDCETZXPWHTIR-UHFFFAOYSA-N,3,1,0.443,36,391,464.848,3.56,6,0.397,0.64,0.988,0.4620228222877116,0.5131502295935851,0.08955863203344527,0.3119131656500583,0.3441612123912
EOS-3-29880,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccc(F)cc4F)n23)c(Cl)c1,XPJIZAHCDADZPO-UHFFFAOYSA-N,3,1,0.389,45,837,477.862,4.207,5,0.416,0.71,1.0,0.34361935439654584,0.44618257830169283,0.7588839010348846,0.790178877390172,0.5847161777808239
EOS-3-29881,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)nn2C)cn1,FPWUIVGYXZUTTI-UHFFFAOYSA-N,3,1,0.396,31,462,465.88,3.099,5,0.376,0.66,0.98,0.40458159139195393,0.37213864711123296,0.2734733739976698,0.2901874443149887,0.33509526420396135
EOS-3-29882,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cc(-c4ccoc4)cnn3)n12,ALFZREJABWIIIM-UHFFFAOYSA-N,3,1,0.547,84,207,436.834,4.255,5,0.393,0.68,1.0,0.6231238434651497,0.5312521417312042,0.7822973065588377,0.820454389692276,0.6892819203618669
EOS-3-29883,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cc4)n23)cc1,CWLTXEFCEPWOSJ-UHFFFAOYSA-N,3,1,0.625,1,138,420.379,4.358,5,0.403,0.8,1.0,0.9069974641902543,0.6453550133644027,0.8999211842916867,0.8496504694674799,0.825481032828456
EOS-3-29884,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)c4)n23)cn1,XVIMJLHYUUOKCB-UHFFFAOYSA-N,3,1,0.524,97,82,413.416,3.67,5,0.434,0.8,1.0,0.8194691933383592,0.7587810979370845,0.5735727503255431,0.4944829004180659,0.6615764855047632
EOS-3-29886,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(F)c5F)cs4)n23)cn1,BNMPTBIFITVREN-UHFFFAOYSA-N,3,1,0.518,4,92,436.447,4.475,5,0.404,0.81,1.0,0.6948804057295593,0.7629874580220684,0.680111027345624,0.6597902816804879,0.699442293194435
EOS-3-29887,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCCc5ccccn5)n34)c2)cc1,BPALPIOPMPATOO-UHFFFAOYSA-N,3,1,0.432,19,207,427.443,3.794,5,0.365,0.72,1.0,0.6491672949078199,0.6307569734768008,0.39209101500925225,0.47023850318689603,0.5355634466451922
EOS-3-29888,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,DDFRALLDFPPPIJ-UHFFFAOYSA-N,3,1,0.5,73,665,468.279,4.668,5,0.37,0.8,1.0,0.9225464327325064,0.9287745870742239,0.8208227674593928,0.864711123295182,0.8842137276403262
EOS-3-29889,Cc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5ccnc(F)c5)c4)n23)nn1C,PVOOZKGWODRYAN-UHFFFAOYSA-N,3,1,0.548,4,439,433.422,3.752,5,0.393,0.67,1.0,0.3828558700568844,0.44152217120142556,0.6801195942704407,0.6339353025837845,0.5346082345281338
EOS-3-29890,Fc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncc(F)cn5)c4)n23)nc1,HBPFIGDWCWDPPE-UHFFFAOYSA-N,3,1,0.402,46,382,419.355,2.29,5,0.423,0.61,0.987,0.7100438626550614,0.5405386882324721,0.3213196490987595,0.3498646425878966,0.4804417106435474
EOS-3-29891,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)cn1,SOEXJZYIJIMBEN-UHFFFAOYSA-N,3,1,0.482,2,419,435.369,3.64,5,0.389,0.66,1.0,0.8297066684942773,0.8129668974025084,0.9010348845178535,0.8754968816393668,0.8548013330135016
EOS-3-29892,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)ccn2)c(F)n1,YUTKNJFBIWRVIF-UHFFFAOYSA-N,3,1,0.506,97,709,434.381,4.245,5,0.385,0.69,1.0,0.8886042766088684,0.8941984785141526,0.904401685970804,0.8948409978754026,0.8955113597423069
EOS-3-29893,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(-c5cncnn5)n4)n23)cn1,FUDHXTMJVFEIGO-UHFFFAOYSA-N,3,1,0.478,27,69,467.827,3.603,5,0.369,0.67,1.0,0.652208553217737,0.722868549105613,0.685396819957508,0.6597988486053047,0.6800681927215406
EOS-3-29894,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccc(Cl)c4)n23)nn1,HAWWVFIQQPIMLM-UHFFFAOYSA-N,3,1,0.353,98,63,467.884,3.154,6,0.384,0.64,0.901,0.1348176958399013,0.25786443698170103,0.1092711260365979,0.24534815982454938,0.18682535467068742
EOS-3-29895,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nn2C)cn1,CQCJSGDSZSHBIX-UHFFFAOYSA-N,3,1,0.396,92,564,453.869,3.175,5,0.389,0.62,1.0,0.26371564663148517,0.23767219518881502,0.35841443355493113,0.35946816530738124,0.3048176101706531
EOS-3-29896,CCn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2)n1,JKTYPMYWFSRVPK-UHFFFAOYSA-N,3,1,0.446,92,105,434.851,2.487,5,0.396,0.61,1.0,0.2555085326571174,0.35803748886299774,0.042911726406689055,0.07212494003152628,0.18214567198958262
EOS-3-29897,Cc1ncc(-c2nnc3cncc(OCc4cccc(-c5cnc(F)cn5)c4)n23)cn1,GCSCVXGDWQMDGD-UHFFFAOYSA-N,3,1,0.472,55,969,414.404,3.065,5,0.432,0.72,1.0,0.772796586937153,0.6504609005551367,0.47120656569117947,0.39468679322870265,0.5722877116030429
EOS-3-29898,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ccc(-c4cnco4)c(F)c3)n12,NRAGPGPOWXMNNJ-UHFFFAOYSA-N,3,1,0.318,8,474,454.429,3.321,6,0.385,0.63,0.999,0.24495408128298266,0.3093173874306079,0.1014752244534302,0.18501987526557467,0.21019164210814884
EOS-3-29899,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ncn1,CATKJWFYSMOKDC-UHFFFAOYSA-N,3,1,0.378,31,194,435.398,2.277,5,0.4,0.58,0.699,0.5400418065931053,0.3144061407717086,0.32851586594476045,0.3210455075046261,0.3760023302035501
EOS-3-29900,CCOc1cccc(F)c1-c1nnc2cncc(-c3nnc(-c4cccc(Cl)n4)n3C)n12,GGMKMHNNNJKQLD-UHFFFAOYSA-N,3,1,0.407,22,311,450.865,3.84,5,0.375,0.69,1.0,0.25309265985881707,0.3956805565074361,0.21964738537454595,0.33705708998697825,0.30136942293194435
EOS-3-29901,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)cn1,QUMCWSJMIOXZTK-UHFFFAOYSA-N,3,1,0.373,18,194,449.837,2.847,5,0.36,0.63,0.775,0.6581711328901377,0.6504694674799534,0.3213282160235762,0.3790178877390172,0.5022466760331711
EOS-3-29902,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)cn2)c1,DINKSBKZJXNYQS-UHFFFAOYSA-N,3,1,0.478,24,786,427.443,3.978,5,0.419,0.68,1.0,0.6431961483106025,0.684420190528408,0.5300270714824207,0.4325440339935577,0.5725468610787472
EOS-3-29903,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)s1,ZUTRWJLPAJZYAG-UHFFFAOYSA-N,3,1,0.466,4,617,436.888,3.641,5,0.411,0.64,1.0,0.4506031115070934,0.6259080940305668,0.20566616407374408,0.21648619011719553,0.37466588993214994
EOS-3-29904,COc1cccc(OCc2cncc3nnc(-c4cccc(-c5cc(C)ns5)c4)n23)c1,FGFRQPQGMUFLKH-UHFFFAOYSA-N,3,1,0.407,14,18,429.505,4.811,5,0.386,0.82,1.0,0.24235830306353232,0.23250633952436434,0.5797837708176273,0.44513741347405933,0.3749464567198958
EOS-3-29905,Cc1nn(C)cc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1,CMESLTHXYLBPEE-UHFFFAOYSA-N,3,1,0.512,92,390,432.875,3.523,5,0.392,0.68,1.0,0.35278596395038037,0.5405472551572887,0.43193578233157426,0.3790264546638339,0.4260738640257693
EOS-3-29906,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)cn1,IWTIAPDJYHOPGH-UHFFFAOYSA-N,3,1,0.415,46,157,451.824,4.154,5,0.371,0.7,1.0,0.592274347200329,0.6745853608388733,0.822750325543143,0.8460951956685628,0.733926307312727
EOS-3-29908,Cn1nc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1ccc(F)c(F)c1F,UIXYMQULQOWTJI-UHFFFAOYSA-N,3,1,0.473,95,998,452.4,3.021,5,0.366,0.66,1.0,0.5453447330546227,0.4240456445754232,0.6827325063395243,0.6715012679048729,0.5809060379686108
EOS-3-29909,COc1cc(F)c(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)cc1OC,HECHZTQVWSLTMO-UHFFFAOYSA-N,3,1,0.476,68,127,450.352,3.335,4,0.413,0.59,1.0,0.7925861832636557,0.8423600164484957,0.9426615722020424,0.7561510520183675,0.8334397059831403
EOS-3-29910,Cc1nc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n[nH]1,NXORPYMQAGGNEA-UHFFFAOYSA-N,3,1,0.451,18,578,433.863,2.95,5,0.406,0.64,1.0,0.5951956685628127,0.559574395175108,0.20199095332739359,0.2164947570420122,0.39331394352683163
EOS-3-29911,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cn2)n1C,IUINOCWYFUSSGN-UHFFFAOYSA-N,3,1,0.337,10,871,452.457,3.282,6,0.404,0.58,0.878,0.06702761976560893,0.19356109930779247,0.23739805359468166,0.25751319306421766,0.18887499143307518
EOS-3-29912,Cc1ccc(COc2cncc3nnc(-c4cc(-c5cncc(CF)c5)ncn4)n23)nn1,DSNPKKQACIWOTR-UHFFFAOYSA-N,3,1,0.366,31,238,429.419,2.79,5,0.401,0.6,0.227,0.3918168734151189,0.24300938934959906,0.24825234733739976,0.1986412857240765,0.27042997395654855
EOS-3-29913,Cc1ncc(-c2nn(C)n2C)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,UJVDXFQKDATOLF-UHFFFAOYSA-N,3,1,0.398,92,105,435.879,2.861,5,0.418,0.64,1.0,0.4693475430059626,0.4902337057089987,0.09889658008361318,0.10658967856898088,0.29126687684188884
EOS-3-29914,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,JHLCLNPUAVFTAF-UHFFFAOYSA-N,3,1,0.506,65,349,433.863,2.652,5,0.376,0.63,1.0,0.5167997395654855,0.49516825440339934,0.23740662051949832,0.2666112672195189,0.3789964704269755
EOS-3-29915,Cn1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cnn2)n1,IBOSNQXFYJIMDM-UHFFFAOYSA-N,3,1,0.561,36,659,436.838,3.353,5,0.417,0.58,1.0,0.7495716537591666,0.8834469878692345,0.6346806250428346,0.6484476732232198,0.7290367349736139
EOS-3-29916,COc1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1-c1ncnn1C,IQBSGDNJLGLQGQ-UHFFFAOYSA-N,3,1,0.474,20,771,463.889,2.66,5,0.359,0.66,0.997,0.5117966554725516,0.48124700157631417,0.162600233020355,0.12917209238571722,0.32120399561373447
EOS-3-29917,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)cc4Cl)n23)n(C)n1,WLFSINQHUQKREU-UHFFFAOYSA-N,3,1,0.435,4,677,450.865,3.662,5,0.403,0.65,1.0,0.4365190871084915,0.5887447741758618,0.4986978274278665,0.48543622781166473,0.5023494791309712
EOS-3-29918,COc1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1ncccn1,ANBDVWHLJOYMKE-UHFFFAOYSA-N,3,1,0.593,49,896,459.897,3.927,5,0.361,0.68,1.0,0.7756922075251867,0.6844287574532246,0.34698615584949627,0.3402439860187787,0.5368377767116715
EOS-3-29919,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cn(C)nn5)c4)n23)s1,PDJWPUKKNBGCPH-UHFFFAOYSA-N,3,1,0.252,39,495,452.507,3.476,6,0.4,0.64,1.0,0.02005517099581934,0.02403879103556987,0.07337571105475979,0.08835926255911178,0.051457233911315195
EOS-3-29920,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)nc2)cn1,ROEVMVXUHIYILT-UHFFFAOYSA-N,3,1,0.268,70,421,436.464,3.224,6,0.41,0.62,1.0,0.02115173737235282,0.052146871359056955,0.20567473099856076,0.22812007401823042,0.12677335343705023
EOS-3-29921,Fc1ccc(-c2ccccn2)cc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,FOMSPDRYSYXPSQ-UHFFFAOYSA-N,3,1,0.495,11,275,446.873,4.662,5,0.353,0.81,1.0,0.8828987046809678,0.9009492152696867,0.7375779590158317,0.7853899664176547,0.8267039613460352
EOS-3-29922,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)nc1,KJQFEBPZFHRUKW-UHFFFAOYSA-N,3,1,0.529,87,131,414.404,2.799,5,0.418,0.75,1.0,0.7372952504968816,0.67459392776369,0.3285244328695771,0.3180213830443424,0.5146087485436228
EOS-3-29923,Cc1csc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)n1,VGOARYRIILMOSD-UHFFFAOYSA-N,3,1,0.552,75,583,449.927,4.288,5,0.382,0.73,1.0,0.7071739428414776,0.7320951271331643,0.25522582413816736,0.2783650880679871,0.4932149955451991
EOS-3-29924,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)c1,GCBYTEZFOVXNQW-UHFFFAOYSA-N,3,1,0.402,13,971,436.262,4.742,5,0.402,0.72,1.0,0.560782331574258,0.6215989308477828,0.7708176273045028,0.8441248029607292,0.6993309231718182
EOS-3-29925,Cc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5nccn5C)c4)n23)c1F,SCGHZQHRCVIPKU-UHFFFAOYSA-N,3,1,0.539,75,359,430.447,3.051,5,0.408,0.62,1.0,0.5720735384826263,0.43297238023439105,0.32133678294839285,0.24271811390583237,0.3922752038928106
EOS-3-29926,Fc1cc(-c2nccs2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,CHNKJYHLKDUBLT-UHFFFAOYSA-N,3,1,0.489,72,132,453.89,4.119,5,0.382,0.69,1.0,0.6798882873003906,0.7367212665341649,0.4396117469673086,0.5178106366938524,0.5935079843739292
EOS-3-29927,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)cc(F)n1,HUMQKSOFQMQTCV-UHFFFAOYSA-N,3,1,0.462,36,964,455.816,2.887,5,0.372,0.63,0.985,0.46461860050716197,0.5405558220821054,0.5129531903228017,0.527773970255637,0.5114753957919265
EOS-3-29928,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(Cl)c2)co1,FRUIRDKKWVTWRW-UHFFFAOYSA-N,3,1,0.359,62,302,470.92,4.967,6,0.389,0.82,1.0,0.23969398944554862,0.2632530326913851,0.4466109245425262,0.5145723391131519,0.36603257144815293
EOS-3-29929,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)c5)ns4)n23)cn1,QEIUODHEVWKMIQ-UHFFFAOYSA-N,3,1,0.517,97,666,434.912,4.851,5,0.393,0.81,1.0,0.6090655198409979,0.7274261531080803,0.5537317524501405,0.5981598245493798,0.6220958124871496
EOS-3-29930,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)nc4)n23)ccc1Cl,AVVPSTWUXSEAPT-UHFFFAOYSA-N,3,1,0.588,73,665,468.279,4.668,5,0.37,0.77,1.0,0.966811733260229,0.9701956685628127,0.8227588924679597,0.8630748406551985,0.9057102837365499
EOS-3-29931,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)cn1,MFOOHUDVMDSYES-UHFFFAOYSA-N,3,1,0.305,42,174,419.448,4.514,6,0.418,0.77,1.0,0.1786803509012405,0.05989993831814132,0.5333167706120211,0.5347046124323213,0.32665041806593104
EOS-3-29932,Cc1nc(-c2cnnnc2)cc(-c2cncc3nnc(-c4nccnc4-c4ccncc4)n23)n1,VLBGHIJFVWJRNO-UHFFFAOYSA-N,3,1,0.247,86,953,446.438,2.261,6,0.393,0.58,0.929,0.08811082173942841,0.017939140566102393,0.07974950311836064,0.08836782948392845,0.06854182372695497
EOS-3-29933,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)c2)nn1,MKHNYAOWHCECIE-UHFFFAOYSA-N,3,1,0.524,40,755,451.45,3.216,6,0.376,0.66,1.0,0.4506116784319101,0.24301795627441575,0.3285329997943938,0.27223973682406966,0.3236005928311973
EOS-3-29934,FC(F)(F)c1cc(CCOc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)ncn1,HHBMJBNQWYDURL-UHFFFAOYSA-N,3,1,0.454,87,838,455.36,2.667,5,0.377,0.63,1.0,0.6231324103899664,0.5731701048591598,0.6827410732643411,0.4854447947364814,0.5911220958124872
EOS-3-29935,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nccn5C)c4)n23)n1,PNXPRSHYWBQCAE-UHFFFAOYSA-N,3,1,0.495,20,353,430.447,3.051,5,0.408,0.63,1.0,0.769935234048386,0.7042354876293606,0.28476458090603796,0.23689260503049825,0.4989569769035707
EOS-3-29936,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)nc1,LBSAAYVWLNQSNC-UHFFFAOYSA-N,3,1,0.435,68,127,480.357,2.569,4,0.401,0.67,1.0,0.4597268864368446,0.41016722637242137,0.8480827222260298,0.6309625796724008,0.5872348536769241
EOS-3-29939,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cn1,NEUSWNOXJBHKQX-UHFFFAOYSA-N,3,1,0.495,16,55,447.861,4.323,5,0.37,0.7,1.0,0.7925947501884724,0.727434720032897,0.7588924679597012,0.7246333356178466,0.7508888184497293
EOS-3-29940,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,FFCVRSAYQXQBCU-UHFFFAOYSA-N,3,1,0.395,30,474,465.908,4.364,6,0.381,0.74,1.0,0.08135151805907752,0.26326159961620177,0.2445685696662326,0.4385580152148585,0.2569349256390926
EOS-3-29941,Cc1nc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)ccc1-c1nccn1C,FMWOUSMBQFIYLY-UHFFFAOYSA-N,3,1,0.364,7,690,451.853,3.057,5,0.375,0.65,0.999,0.5694092248646426,0.540564389006922,0.19173634432184222,0.19047700637379206,0.3730467411417998
EOS-3-29942,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(C(F)F)c4)n23)c(F)c1,UCDNFBFHTRWGDB-UHFFFAOYSA-N,3,1,0.472,16,79,452.4,3.638,5,0.388,0.65,1.0,0.5554879720375574,0.5837245562332944,0.8691402234253992,0.8166078404495922,0.7062401480364608
EOS-3-29943,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)nc(C)n2)nc1,YHBZPNDSHJEFEM-UHFFFAOYSA-N,3,1,0.419,31,851,459.901,3.325,5,0.376,0.63,1.0,0.5118052223973683,0.45038037146186005,0.08706565691179494,0.09621513261599617,0.28636659584675483
EOS-3-29944,COc1cc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)ccc1-c1cscn1,BATJSGQETHDRQF-UHFFFAOYSA-N,3,1,0.468,4,224,453.915,3.889,5,0.385,0.68,1.0,0.42051607155095605,0.5544513741347405,0.3884415050373518,0.3088462065656912,0.4180637893221849
EOS-3-29945,Fc1ccc(Cc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1-c1cccnn1,MPTSXXDYCHMSKR-UHFFFAOYSA-N,3,1,0.35,41,696,460.476,4.435,6,0.375,0.69,1.0,0.387482009457885,0.41953944212185595,0.7800613391816873,0.7786563635117538,0.5914347885682956
EOS-3-29946,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)n1C,VOUMDVYURMJAIJ-UHFFFAOYSA-N,3,1,0.575,15,669,445.914,4.17,5,0.365,0.7,1.0,0.8623466520457816,0.8010931396066068,0.5265831677061202,0.4733654307449798,0.6658470975258721
EOS-3-29947,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nn2)nc1,GBKDZUSYZALEPQ-UHFFFAOYSA-N,3,1,0.343,32,270,418.42,3.965,6,0.423,0.72,1.0,0.11292920293331506,0.11972277431293263,0.3547991912822973,0.36291206908368173,0.2375908094030567
EOS-3-29948,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccc2F)cn1,PXBNXIKRGVFLCD-UHFFFAOYSA-N,3,1,0.482,13,145,432.846,5.142,5,0.391,0.81,1.0,0.8038088547734905,0.9033565211431704,0.8859228291412514,0.8906432047152354,0.8709328524432869
EOS-3-29949,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cn1,LMMHWTXZEUIKEB-UHFFFAOYSA-N,3,1,0.424,7,45,420.824,2.004,5,0.42,0.65,1.0,0.3874905763827017,0.4593413748200946,0.09179459941059558,0.10246042080734699,0.2602717428551847
EOS-3-29950,Cc1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5ccnc(Cl)c5)c4)n23)cn1,BBEAUWNPWODHII-UHFFFAOYSA-N,3,1,0.523,97,91,447.861,4.323,5,0.37,0.73,1.0,0.8733294496607498,0.8387961757247618,0.8074155301213076,0.7690100061681858,0.8221377904187512
EOS-3-29951,Cc1nc(COc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)ccn4)n23)ccc1F,UDRLPCLYYIXLJS-UHFFFAOYSA-N,3,1,0.44,46,160,447.861,4.323,5,0.37,0.73,1.0,0.5922829141251457,0.5980056199026798,0.7090072647522445,0.702907614282777,0.6505508532657117
EOS-3-29952,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(C)nc4-c4ccccn4)n23)cn1,AONPZAZNVPPXHG-UHFFFAOYSA-N,3,1,0.333,82,336,411.429,2.008,5,0.481,0.74,0.999,0.04804331437187307,0.05215543828387362,0.06906654787197587,0.04133541224042218,0.05265017819203618
EOS-3-29953,CC#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4C)n23)cn1,IWMJXCNRUFWKDG-UHFFFAOYSA-N,3,1,0.442,7,540,452.453,3.436,5,0.374,0.66,0.993,0.697827427866493,0.660072990199438,0.5167055033925022,0.3946953601535193,0.5673253204029882
EOS-3-29954,Cc1cnc(-c2ncncc2-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)o1,YTNXVKDUHRFPNP-UHFFFAOYSA-N,3,1,0.43,7,617,421.808,2.567,5,0.417,0.65,0.987,0.46935610993077925,0.4856589678568981,0.08200260434514427,0.10028442190391337,0.28432552600918376
EOS-3-29955,CCC1(c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nn2)CCCO1,NYIGBTQEAMAUOS-UHFFFAOYSA-N,3,1,0.549,78,548,420.448,3.715,5,0.47,0.67,0.999,0.694888972654376,0.7367298334589816,0.13182783907888423,0.2901960112398054,0.46341066410801185
EOS-3-29956,Cc1csc(-c2cnc(-c3cncc4nnc(-c5cc(Cl)ccc5CO)n34)cn2)c1,GHGGRXDLKHFWJK-UHFFFAOYSA-N,3,1,0.325,50,845,434.912,4.431,5,0.45,0.68,1.0,0.17868891782605717,0.4461911452265095,0.6257196216846,0.6628144061407717,0.4783535227194846
EOS-3-29957,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)s1,MGXJIVWWRMOEIL-UHFFFAOYSA-N,3,1,0.516,65,142,434.46,3.169,5,0.401,0.63,1.0,0.5952042354876294,0.5684668631348091,0.20199952025221027,0.2137790418751285,0.3948624151874443
EOS-3-29958,OCc1ccc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)nn1,KZHQGJFPIUSKAI-UHFFFAOYSA-N,3,1,0.443,92,617,418.442,2.171,5,0.442,0.73,0.984,0.352794530875197,0.2944195051744226,0.12349222123226647,0.10029298882873004,0.21774981152765405
EOS-3-29960,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cn2)n(C)n1,CVAFDYYMPYWUFX-UHFFFAOYSA-N,3,1,0.279,94,165,447.466,2.809,6,0.401,0.59,0.972,0.06332670824480845,0.05990850524295799,0.09890514700842985,0.09416763758481256,0.07907699952025221
EOS-3-29961,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cn5)n34)c2)nn1,CPNXZHPIOIXZTL-UHFFFAOYSA-N,3,1,0.284,42,179,421.424,3.304,6,0.426,0.65,1.0,0.03940785415667192,0.013552875059968474,0.3137636214104585,0.31192173257487493,0.16966152080049346
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EOS-3-29963,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4F)n23)c1F,BRXIFOCLSKPMKE-UHFFFAOYSA-N,3,1,0.452,16,606,420.383,3.137,5,0.465,0.65,1.0,0.6829124117606744,0.65047803440477,0.7168717017339455,0.6628229730655884,0.6782712802412446
EOS-3-29964,Clc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cc2)ccn1,LKVVSMNFZONMCO-UHFFFAOYSA-N,3,1,0.342,93,289,450.893,4.754,6,0.36,0.77,0.999,0.04369131656500583,0.20277911041052704,0.5924628195462956,0.6918048797203755,0.38268453156055104
EOS-3-29965,CC1(c2nc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cc5F)n34)co2)COC1,OMFCLBXQMMXDKL-UHFFFAOYSA-N,3,1,0.29,96,523,428.427,3.935,6,0.428,0.71,0.873,0.31683914741964225,0.40551538619697075,0.3775101089712837,0.4702470701117127,0.3925279281749024
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EOS-3-29967,Fc1cc(-c2nnc3cncc(OCc4ncn(-c5cncnn5)n4)n23)ccc1Cl,JSJGQBIPFKYENW-UHFFFAOYSA-N,3,1,0.494,36,975,424.787,1.928,5,0.416,0.62,0.999,0.42052463847577276,0.640317661572202,0.24457713659104927,0.3560842300047975,0.41537591666095536
EOS-3-29968,Fc1nc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,GPWVADBXGIIDPG-UHFFFAOYSA-N,3,1,0.568,35,201,447.861,4.057,5,0.362,0.66,1.0,0.9615088067987115,0.9581420053457611,0.7065742581043108,0.7115002398738949,0.8344313275306696
EOS-3-29969,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,NMWICQSGPMNSCP-UHFFFAOYSA-N,3,1,0.483,24,912,433.834,4.015,5,0.386,0.69,1.0,0.855373175245014,0.7930059625796724,0.7428209170036324,0.7459649784113495,0.7842912583099171
EOS-3-29970,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)c1Cl,XDCDUIORERKKDG-UHFFFAOYSA-N,3,1,0.392,46,238,430.859,3.579,5,0.416,0.61,1.0,0.5833647453909945,0.5222740045233363,0.4641474196422452,0.46084915358782813,0.5076588307861011
EOS-3-29971,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6cncs6)n5)n34)cn2)cn1,CQNGWVKLZOWMQL-UHFFFAOYSA-N,3,1,0.297,94,136,466.49,3.232,6,0.373,0.67,0.998,0.33177129737509425,0.2430265231992324,0.11494243026523199,0.08654307449797821,0.19407083133438424
EOS-3-29972,CCCc1cc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)ccc1Cl,LAXCVUPKSJTTFZ-UHFFFAOYSA-N,3,1,0.5,68,900,448.836,4.785,4,0.422,0.7,1.0,0.8957148242067028,0.9479987663628264,0.9503718045370434,0.9094390377630046,0.9258811082173943
EOS-3-29973,Cc1cn(C)c(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)s2)n1,RYKCEZXULRXJPM-UHFFFAOYSA-N,3,1,0.266,10,195,438.52,4.414,6,0.407,0.71,0.603,0.00023130697005003083,0.004266328558700569,0.1917449112466589,0.2106606812418614,0.10172580700431773
EOS-3-29974,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1,RERHNAZDLKAWGJ-UHFFFAOYSA-N,3,1,0.605,11,922,434.912,4.585,5,0.389,0.71,1.0,0.8687889795079159,0.9058066616407374,0.5829792337742444,0.6278956205880337,0.7463676238777328
EOS-3-29975,N#Cc1ncc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)cc(CO)n4)n23)cn1,WEVRTQSPPWWEFK-UHFFFAOYSA-N,3,1,0.374,51,775,456.401,1.515,5,0.394,0.63,1.0,0.595212802412446,0.495176821328216,0.24112466588993214,0.19864985264889315,0.38254103556987185
EOS-3-29976,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cn5)n34)nc2)c1,RJRPFNKUVOUXCX-UHFFFAOYSA-N,3,1,0.283,70,687,435.476,3.829,6,0.411,0.62,1.0,0.05642176684257419,0.11050476321019807,0.28849119320128846,0.30574497978205745,0.19029067575902953
EOS-3-29977,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cc1,YKMMTTLALGQAEV-UHFFFAOYSA-N,3,1,0.321,9,150,453.897,4.093,6,0.373,0.7,1.0,0.016285724076485503,0.14100301555753547,0.5265917346309369,0.5542200671646905,0.3095251353574121
EOS-3-29978,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(-c3ccc(-c4nccs4)cn3)n12,HGZCRLNCUHOLEY-UHFFFAOYSA-N,3,1,0.346,32,572,452.478,4.573,6,0.387,0.72,1.0,0.20123706394352683,0.36248372284284835,0.5469296141457063,0.580023644712494,0.42266851141114387
EOS-3-29979,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)s5)n34)c2)nn1,WQBAOFAGCMIUIM-UHFFFAOYSA-N,3,1,0.471,2,875,423.408,3.562,5,0.427,0.66,1.0,0.6090740867658145,0.602511822356247,0.617212665341649,0.6041566719210473,0.6082388115961894
EOS-3-29980,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cn2)n1,GCHYSFHCWFLNPV-UHFFFAOYSA-N,3,1,0.276,86,664,452.869,3.544,6,0.373,0.63,0.89,0.006468028236584196,0.09131485162086217,0.362183880474265,0.4262045096292235,0.22154281749023372
EOS-3-29981,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)c1,ZQQJIGOCQDHUOH-UHFFFAOYSA-N,3,1,0.456,2,36,421.371,2.234,5,0.398,0.67,1.0,0.49927181139058324,0.3817850044548009,0.5266003015557535,0.47337399766979643,0.4702577787677335
EOS-3-29982,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,OMCNBEHKQRWZGU-UHFFFAOYSA-N,3,1,0.333,8,899,466.896,3.759,6,0.361,0.7,0.997,0.15137756151052018,0.2837451168528545,0.21965595229936263,0.33706565691179496,0.24796107189363303
EOS-3-29983,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)s2)nn1,CYUVYSQDTODKAK-UHFFFAOYSA-N,3,1,0.333,22,542,427.415,4.392,5,0.425,0.69,0.996,0.1622575560276883,0.4195480090466726,0.8385220341306284,0.8363546021520115,0.5641705503392502
EOS-3-29984,CCc1cncc(-c2cnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)c1,NXIFNELEFQIARQ-UHFFFAOYSA-N,3,1,0.457,65,324,458.913,3.876,5,0.362,0.66,0.999,0.6491758618326365,0.7274432869577137,0.38845007196216846,0.3885271742855185,0.5383990987595092
EOS-3-29985,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5F)nn4)n23)c(F)c1,YQPQBDYLXWZKLR-UHFFFAOYSA-N,3,1,0.3,10,783,474.41,3.252,6,0.386,0.68,1.0,0.05453704338290727,0.32873003906517717,0.6231324103899664,0.6888921252827085,0.42382290453018984
EOS-3-29986,Cc1nc(-c2ncc(F)cn2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,CLRCMAOOLRVDNZ-UHFFFAOYSA-N,3,1,0.456,18,851,429.419,2.502,5,0.401,0.59,1.0,0.7373038174216983,0.48566753478171476,0.11187547118086491,0.11364025769309849,0.3621217702693441
EOS-3-29987,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccoc5)nc4)n23)nc1,RBNXUUQBJLVQNT-UHFFFAOYSA-N,3,1,0.284,64,114,436.41,4.104,6,0.406,0.65,0.892,0.30118737577959015,0.3042372010143239,0.4357052292509081,0.49753272565279966,0.3846656329244055
EOS-3-29988,Cn1cc(-c2nnc3cncc(OCCc4cnccn4)n23)cc(-c2nccs2)c1=O,BFFHQFDLPMNLMD-UHFFFAOYSA-N,3,1,0.452,65,658,432.469,2.025,5,0.4,0.65,1.0,0.2259440751147968,0.019455486258652593,0.04956822698923994,0.04646700020560619,0.08535869714207388
EOS-3-29989,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2)nc1,DSBMBFZPPSTNAK-UHFFFAOYSA-N,3,1,0.576,11,201,458.909,4.532,5,0.331,0.8,1.0,0.9398687547118086,0.9216040710026728,0.7299105613049139,0.6540847097525873,0.8113670241929958
EOS-3-29990,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)n1C,DRFMENLOETUZAZ-UHFFFAOYSA-N,3,1,0.459,89,398,481.52,2.761,6,0.376,0.76,0.997,0.27964155986567063,0.0944760468782126,0.022154067575902953,0.02139161126721952,0.10441582139675142
EOS-3-29991,Cn1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc(C(F)F)n2)n1,WNAUQYLYSAOPRD-UHFFFAOYSA-N,3,1,0.385,46,128,469.843,3.547,5,0.371,0.68,1.0,0.42975978342814064,0.6025203892810637,0.4029710095264204,0.372498457953533,0.4519374100472895
EOS-3-29992,FC(F)Oc1ccc(CCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,OHEPDLRQZDAYMZ-UHFFFAOYSA-N,3,1,0.506,68,455,418.354,3.906,4,0.424,0.72,0.994,0.7728051538619697,0.8011017065314234,0.9245253923651566,0.8781526283325337,0.8441462202727708
EOS-3-29993,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cn(C)nc4C)n23)ccn1,NUEACPZLPDWFHH-UHFFFAOYSA-N,3,1,0.483,31,359,429.488,2.733,5,0.392,0.66,1.0,0.1594133369885546,0.08512953190322801,0.07105407442944281,0.04010177506682201,0.08892467959701186
EOS-3-29994,Cc1cc(-c2nncn2C)ccc1Oc1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,IENYVPOYHRTIPH-UHFFFAOYSA-N,3,1,0.402,67,502,464.493,3.483,6,0.381,0.7,1.0,0.3241210335138099,0.1847714344458913,0.19175347817147556,0.1314937290110342,0.20803491878555275
EOS-3-29995,Fc1ccnc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nc5F)c4)n23)c1,UWYOTXAHXVAOOZ-UHFFFAOYSA-N,3,1,0.583,1,962,434.381,4.245,5,0.385,0.7,1.0,0.6859365362209581,0.8168477143444589,0.9122918237269549,0.9037077650606539,0.8296959598382564
EOS-3-29996,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cc4)n23)cn1,YIXGVAIYFFNKAE-UHFFFAOYSA-N,3,1,0.538,27,430,421.367,3.753,5,0.408,0.73,1.0,0.755337194160784,0.5887533411006785,0.7685302583784525,0.6598074155301213,0.693107052292509
EOS-3-29997,Cc1cc(-c2nnc3cncc(OCc4nccnc4-c4ccccc4)n23)ccc1Cl,ADLJPCDDGMHFNB-UHFFFAOYSA-N,3,1,0.489,1,700,428.883,4.789,5,0.4,0.78,1.0,0.8274621341923103,0.8784010691522172,0.6410715509560688,0.6803594681653073,0.756823555616476
EOS-3-29999,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,OXPWAFBPRRUSOF-UHFFFAOYSA-N,3,1,0.297,30,498,449.434,3.369,6,0.386,0.63,0.95,0.2582756493729011,0.0747806867246933,0.2127424439723117,0.21913336988554588,0.191233037488863
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EOS-3-30013,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccccc5)n4)n23)nc1,JYVTYLDJGJFXFX-UHFFFAOYSA-N,3,1,0.415,33,348,413.401,1.445,5,0.441,0.75,0.995,0.21220272770886162,0.09448461380302926,0.053269138510040434,0.035561304913988075,0.09887944623397985
EOS-3-30015,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2C)nc1,SXTSKCAEQKRRTK-UHFFFAOYSA-N,3,1,0.424,95,477,430.447,3.051,5,0.408,0.64,0.994,0.4045901583167706,0.2837536837776712,0.23406551984099788,0.21914193681036256,0.2853878246864506
EOS-3-30016,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cc2)nn1,QEPZNWLCPIGTDV-UHFFFAOYSA-N,3,1,0.542,16,19,448.849,3.718,5,0.375,0.65,1.0,0.9004180659310533,0.7886539647728051,0.5798009046672606,0.5639863614556919,0.7082148242067028
EOS-3-30017,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nc(C)ccc5O)ccc4F)n23)cn1,KLMRRUFYMWWZBI-UHFFFAOYSA-N,3,1,0.457,1,92,442.454,4.289,5,0.434,0.68,1.0,0.7465817969981495,0.7460078130354328,0.7246933040915633,0.6041652388458639,0.7053620382427525
EOS-3-30018,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccco5)s4)n23)nc1,LJPNKVMWHYPDDV-UHFFFAOYSA-N,3,1,0.284,76,272,427.453,3.365,6,0.421,0.62,1.0,0.0670361866904256,0.09449318072784593,0.08201117126996094,0.11819786169556576,0.09043460009594956
EOS-3-30019,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)cn2)n1,QQQWBHTVNYKULZ-UHFFFAOYSA-N,3,1,0.313,42,664,451.881,4.149,6,0.371,0.69,0.995,0.008078610102117743,0.12326091426221643,0.5232420670276198,0.5860718936330614,0.3101633712562538
EOS-3-30020,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,WZQQCJGZTHAYMM-UHFFFAOYSA-N,3,1,0.333,32,327,447.437,3.906,6,0.375,0.64,1.0,0.32940682612569394,0.3956976903570694,0.5701888150229594,0.567233225961209,0.46563163936673296
EOS-3-30021,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCCc4cncc(F)n4)n23)n1,BWIVMHUVNPPJGN-UHFFFAOYSA-N,3,1,0.443,44,531,464.411,3.386,5,0.377,0.64,0.999,0.7612483722842849,0.6894918100198753,0.5129617572476184,0.544565142896306,0.6270667706120211
EOS-3-30022,Cc1nc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nc4)n23)ccc1F,JFMNTWVRDTXPRX-UHFFFAOYSA-N,3,1,0.432,46,62,414.404,3.065,5,0.432,0.73,1.0,0.7869919813583716,0.612312384346515,0.3323624151874443,0.29020457816462203,0.5054678397642383
EOS-3-30023,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ccc2F)n1C,QAOGXELRYJMVGZ-UHFFFAOYSA-N,3,1,0.484,36,51,466.427,3.946,5,0.374,0.71,1.0,0.5607908984990748,0.69935234048386,0.540024672743472,0.5242615310808032,0.5811073607018025
EOS-3-30024,Cc1ncc(-c2ncc(F)cn2)nc1-c1cncc2nnc(-c3ccc(-c4cn(C)nn4)cn3)n12,WXOHNBQFGTVTSW-UHFFFAOYSA-N,3,1,0.262,86,652,466.444,2.343,6,0.38,0.62,0.861,0.11848913713933247,0.15625214173120416,0.05701288465492427,0.064988691659242,0.09918571379617572
EOS-3-30025,Cc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc(-c2nnc(C)s2)n1,IIAINYFRVDGVKI-UHFFFAOYSA-N,3,1,0.549,58,241,430.497,3.338,5,0.404,0.68,1.0,0.5068021383044342,0.3383849633335618,0.06685628126927558,0.05586491672949078,0.24197707490919057
EOS-3-30026,COc1cc(C(F)F)ccc1-c1nnc2cncc(-c3nc(-c4ccc(Cl)nc4)no3)n12,NMZYOJTUQCIBGE-UHFFFAOYSA-N,3,1,0.364,50,155,455.812,4.503,5,0.357,0.79,0.687,0.6260365979028168,0.6504866013295867,0.7906757590295388,0.7613854430813515,0.7071461003358234
EOS-3-30027,Cc1ccc(-c2nnc3cncc(OCc4cn(-c5ccnc(F)c5F)nn4)n23)c(F)c1,ZQDGPOAMEVMBCJ-UHFFFAOYSA-N,3,1,0.5,73,772,438.373,3.072,5,0.389,0.65,1.0,0.21478137207867865,0.4415307381262422,0.6583853060105544,0.659815982454938,0.4936283496676033
EOS-3-30028,N#Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)nc1,RVJLVVOXPHXOQB-UHFFFAOYSA-N,3,1,0.489,27,430,456.416,4.032,5,0.376,0.69,1.0,0.832242478240011,0.7801384415050373,0.8892553628949352,0.8204629566170927,0.830524809814269
EOS-3-30029,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)c2)cn1,BHLOJGALFZRBFB-UHFFFAOYSA-N,3,1,0.447,18,720,442.458,3.416,5,0.394,0.62,1.0,0.572082105407443,0.4951853882530327,0.37364642587896646,0.28119217325748747,0.43052652319923246
EOS-3-30030,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)ns1,QFVKWIJCGPUFCQ-UHFFFAOYSA-N,3,1,0.588,4,921,435.9,4.246,5,0.407,0.69,1.0,0.43188438078267427,0.5360067850044548,0.31377218833527515,0.35297443629634706,0.40865944760468775
EOS-3-30031,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(F)cn5)cc4F)n23)cc1,XFYLNWUEFOSQJK-UHFFFAOYSA-N,3,1,0.356,62,3,472.455,4.674,5,0.386,0.8,1.0,0.5666164073744089,0.5451476937838393,0.7752895620588034,0.680368035090124,0.6418554245767939
EOS-3-30032,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnnn5C)c(C)c4)n23)cn1,LRCKXUBVWVUPNA-UHFFFAOYSA-N,3,1,0.477,20,460,427.472,2.615,5,0.407,0.62,0.999,0.3461208964430128,0.15991021862792132,0.12069940374203277,0.07787334658351039,0.17615096634911934
EOS-3-30036,CCOc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)nn2C)cn1,FNUOWYUZNWVDSP-UHFFFAOYSA-N,3,1,0.427,31,569,443.471,2.397,5,0.356,0.67,1.0,0.19026283325337537,0.052172572133506956,0.10653827702008087,0.05732129394832431,0.10157374408882187
EOS-3-30037,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccnc6Cl)n5)n34)cc2)nn1,QBFOEMZKXSGPTN-UHFFFAOYSA-N,3,1,0.296,98,973,455.873,2.883,6,0.372,0.61,0.984,0.014692276060585293,0.1269189911589336,0.1656414913302721,0.23690117195531493,0.13603848262627646
EOS-3-30038,Cc1ncn(C)c1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)nc1,KNNRRNIORKHFSE-UHFFFAOYSA-N,3,1,0.307,64,449,463.48,4.158,6,0.387,0.69,0.451,0.2012456308683435,0.24812384346514976,0.3395757658830786,0.3756253855116167,0.2911426564320472
EOS-3-30039,Cn1nc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1-c1ccccc1,XKPYVOOSMJDVHK-UHFFFAOYSA-N,3,1,0.391,95,965,436.838,3.353,5,0.39,0.66,1.0,0.4069631964909876,0.42405421150023986,0.31378075526009186,0.39768521691453634,0.38562084504146393
EOS-3-30040,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5c[nH]nn5)cn4)n23)cc1,GYTJFFARWXQQDF-UHFFFAOYSA-N,3,1,0.432,71,614,452.442,1.741,6,0.396,0.59,1.0,0.37120485230621614,0.21233123158111164,0.08956719895826194,0.07409533273935988,0.1867996538962374
EOS-3-30041,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncnn1C,ZZQIFAGNPDTRFR-UHFFFAOYSA-N,3,1,0.448,31,690,447.89,2.96,5,0.391,0.62,0.981,0.5299585360838873,0.49024227263381537,0.10407956959769721,0.12057089986978274,0.31121281954629565
EOS-3-30042,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)nc2)n(C)n1,NASNYQKBOFLGTL-UHFFFAOYSA-N,3,1,0.44,31,851,445.462,2.754,5,0.393,0.65,0.992,0.4365276540333082,0.3864454115550682,0.11794085395106572,0.08481255568501131,0.2564316188061133
EOS-3-30043,N#Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)nn1,SXFHXQGNRHQAOC-UHFFFAOYSA-N,3,1,0.714,1,996,472.415,3.695,5,0.349,0.73,1.0,0.9428586114728257,0.8965715166883695,0.8336474539099444,0.7786649304365705,0.8629356281269275
EOS-3-30044,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1F,GTLXEADZZVBEOD-UHFFFAOYSA-N,3,1,0.536,37,795,416.42,2.742,5,0.42,0.7,1.0,0.6615893358919882,0.5500908094030567,0.3176787060516757,0.2992341169213899,0.4571482420670276
EOS-3-30045,N#Cc1cnc(-c2cc(COc3cncc4nnc(-c5ncccn5)n34)c(F)cn2)cn1,ZCWUTAIQDAMHTL-UHFFFAOYSA-N,3,1,0.372,7,242,426.375,2.023,5,0.41,0.6,1.0,0.7039613460352272,0.545156260708656,0.30634466451922415,0.2869320128846549,0.4605985710369406
EOS-3-30046,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6c[nH]nn6)n5)n34)cc2)nc1,UYMTXBHFPFEQDW-UHFFFAOYSA-N,3,1,0.288,38,126,431.463,4.009,6,0.449,0.62,1.0,0.05454561030772394,0.09746590363922966,0.4132941539305051,0.40697176341580427,0.24306935782331573
EOS-3-30047,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)n1,OFPSLRKJJRLKAD-UHFFFAOYSA-N,3,1,0.467,65,131,433.863,2.652,5,0.402,0.62,1.0,0.45062024535672673,0.4593499417449112,0.1179494208758824,0.15268830100747036,0.2951519772462477
EOS-3-30048,Fc1ccc(-n2nccc2-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cc1,SCTYFUNAJINFMU-UHFFFAOYSA-N,3,1,0.314,64,144,452.428,4.379,6,0.395,0.67,0.913,0.02006373792063601,0.1232694811870331,0.6346891919676513,0.7510365979028168,0.3822647522445343
EOS-3-30049,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6F)c5)n34)cn2)c1,OKFZVEKBALVUOR-UHFFFAOYSA-N,3,1,0.337,30,668,451.44,4.984,6,0.378,0.76,1.0,0.007538893838667672,0.2632701665410184,0.8663731067096155,0.897590980741553,0.5086932869577137
EOS-3-30050,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)n2)cc1,QPBNTOXQPMERJL-UHFFFAOYSA-N,3,1,0.38,83,550,451.44,4.984,6,0.378,0.76,1.0,0.04658693715303955,0.2890052086902885,0.8385306010554452,0.8920738811596189,0.516549157014598
EOS-3-30051,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)ncc1Cl,DEACFMWSDHKIEO-UHFFFAOYSA-N,3,1,0.534,24,583,447.861,4.057,5,0.387,0.64,1.0,0.8534370502364471,0.8206599958878761,0.6378246864505517,0.662831539990405,0.74368831814132
EOS-3-30052,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3cc(Cl)cnn3)n12,NXUITOHKBDLESE-UHFFFAOYSA-N,3,1,0.494,24,28,434.822,3.41,5,0.387,0.63,1.0,0.6005414296484134,0.7321036940579809,0.44306421766842574,0.5076502638612843,0.5708399013090261
EOS-3-30053,CCn1cc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5ncc(Cl)cn5)n34)cn2)cn1,MQTMCWOIIXOUBA-UHFFFAOYSA-N,3,1,0.208,99,249,471.876,2.156,6,0.366,0.67,1.0,0.022025563703652936,0.052181139058323625,0.025229593585086696,0.04513912685902269,0.03614385580152149
EOS-3-30054,Fc1cncc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5)c4)n23)c1F,DVXGVKVZODOKKH-UHFFFAOYSA-N,3,1,0.561,59,89,450.836,4.759,5,0.384,0.73,1.0,0.9559231718182442,0.931918648481941,0.9369302994996916,0.9459084367075594,0.942670139126859
EOS-3-30055,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ccc2Cl)nc1,AIYOFKBCFWIPGX-UHFFFAOYSA-N,3,1,0.517,37,509,461.888,4.366,5,0.371,0.7,1.0,0.9437238708793092,0.9673428825988624,0.5568672469330409,0.5981683914741964,0.7665255979713522
EOS-3-30056,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)ccn2)cn1,AYWNBTWFLDUHNW-UHFFFAOYSA-N,3,1,0.467,75,99,432.394,3.204,5,0.39,0.63,1.0,0.7897590980741553,0.6358542937427181,0.5861147282571448,0.5110084983894181,0.630684154615859
EOS-3-30057,c1cncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)ncn2)c1,YIIZNNGEYZNFRD-UHFFFAOYSA-N,3,1,0.454,40,25,448.45,3.007,6,0.408,0.59,1.0,0.3689860187786992,0.3334332807895278,0.36219244739908163,0.31511719553149203,0.34493223562470016
EOS-3-30058,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1F,HOSYZLOYAGZSGB-UHFFFAOYSA-N,3,1,0.484,37,125,468.855,3.535,5,0.376,0.69,1.0,0.7435748063874992,0.7460163799602495,0.6583938729353711,0.7115088067987115,0.7148734665204579
EOS-3-30059,Cc1noc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cnn2)n1,PZTHRWXCAXHMTB-UHFFFAOYSA-N,3,1,0.495,65,778,435.835,2.61,5,0.392,0.64,1.0,0.6036597902816805,0.5360153519292715,0.10408813652251388,0.145166541018436,0.34723245493797544
EOS-3-30060,Fc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ccc(Cl)cn1,SAQBAHODXAHERB-UHFFFAOYSA-N,3,1,0.605,11,275,446.873,4.662,5,0.377,0.71,1.0,0.9615173737235282,0.960078130354328,0.7800699061065041,0.8143975738468919,0.8790157460078131
EOS-3-30061,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5sccc5C)n4)n23)cc1F,SAZBODODSQYGSA-UHFFFAOYSA-N,3,1,0.484,89,788,475.509,3.696,5,0.399,0.71,0.986,0.4769549722431636,0.4724230690151463,0.27750839558632034,0.182406963196491,0.3523233500102803
EOS-3-30062,COc1ccc(C)cc1-c1nnc2cncc(-c3cc(-c4cccnc4C)cnc3OC)n12,UKIVGOJFPHHUHJ-UHFFFAOYSA-N,3,1,0.356,82,697,438.491,4.549,5,0.398,0.71,1.0,0.21771126036597901,0.028819135083270508,0.5502278802001234,0.3306061956000274,0.28184111781235005
EOS-3-30063,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)ccn2)cs1,TUYNEUVEUALGKT-UHFFFAOYSA-N,3,1,0.531,75,359,418.486,2.973,5,0.418,0.74,1.0,0.38065417037900073,0.25787300390651774,0.10654684394489754,0.07213350695634295,0.20430188129668975
EOS-3-30064,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc(-c2ncccc2F)n1,CXNAQOPJYUDMBK-UHFFFAOYSA-N,3,1,0.516,11,578,456.416,3.415,5,0.357,0.68,0.999,0.9291600986909739,0.8643084778287986,0.7090158316770612,0.6889006922075251,0.7978462751010897
EOS-3-30065,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)s1,WYZZTXJFDYNZFT-UHFFFAOYSA-N,3,1,0.276,99,601,427.457,2.495,6,0.454,0.6,0.933,0.045259063806456036,0.12327804811184977,0.042920293331505724,0.04647556713042286,0.0644832430950586
EOS-3-30066,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cc(F)n1,ABKFVZOIMRLGCG-UHFFFAOYSA-N,3,1,0.433,36,728,447.394,0.589,5,0.364,0.64,1.0,0.4365362209581249,0.3093259543554246,0.03322253443903776,0.02470701117126996,0.2009479302309643
EOS-3-30067,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)n(C)n4)n23)cn1,YUPHGQCXJCTJKC-UHFFFAOYSA-N,3,1,0.407,7,828,418.396,1.798,5,0.42,0.68,1.0,0.30899184428757454,0.24304365704886574,0.051350147351106844,0.04011034199163868,0.16087399766979646
EOS-3-30068,COc1nc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1cscn1,HQSDXGONLMSRTG-UHFFFAOYSA-N,3,1,0.407,49,662,434.485,2.939,5,0.402,0.61,1.0,0.19289287917209239,0.15626070865602085,0.06486018778699199,0.02471557809608663,0.10968233842779797
EOS-3-30069,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)nc(CF)n2)cn1,PGQSZOGBNCTUGW-UHFFFAOYSA-N,3,1,0.516,31,851,448.487,3.499,5,0.373,0.67,0.992,0.5530806661640737,0.4503889383866767,0.08957576588307861,0.07788191350832704,0.292731820985539
EOS-3-30070,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5nc(Cl)cs5)n34)cn(C)c2=O)cn1,BFRMCFKQSZBFNY-UHFFFAOYSA-N,3,1,0.452,7,85,466.914,2.944,5,0.388,0.67,1.0,0.2961328901377562,0.28376225070248784,0.11795798780069906,0.12715886505380028,0.20625299842368583
EOS-3-30071,Cc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cn(C)nc1C,CYBNLDYIVQEDIC-UHFFFAOYSA-N,3,1,0.46,31,690,426.484,3.22,5,0.411,0.67,0.999,0.3143204715235419,0.10740353642656432,0.17227229113837297,0.10883421287094784,0.17570762798985676
EOS-3-30072,Fc1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)c(F)c5)ns4)n23)c(F)c1,FTMRIYMAMAHCLK-UHFFFAOYSA-N,3,1,0.395,45,102,428.374,4.533,5,0.395,0.77,1.0,0.3484253992186965,0.6307655404016175,0.8917226372421355,0.9402799671030087,0.7027983859913646
EOS-3-30073,Clc1ccc(-c2nnc3cncc(OCc4ncnc(-c5ccccc5)n4)n23)nc1,SNPPSMFJYWSFNI-UHFFFAOYSA-N,3,1,0.407,44,700,416.832,3.271,5,0.43,0.67,1.0,0.6551812761291207,0.8011102734562402,0.22303132067712975,0.30234391062984034,0.49541669522308274
EOS-3-30074,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4cccc(OC)n4)n23)c1,WEUWAGSWPIZCFX-UHFFFAOYSA-N,3,1,0.522,26,448,445.458,3.796,5,0.376,0.69,0.997,0.38970940991021863,0.4055239531217874,0.5167226372421355,0.36610753204029883,0.4195158830786101
EOS-3-30075,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)c(F)c1,WVZZDDLZSUWCOX-UHFFFAOYSA-N,3,1,0.281,39,144,471.406,3.913,6,0.384,0.67,0.896,0.03366801452950449,0.1806678774587074,0.6378332533753683,0.7639812213008018,0.40403759166609554
EOS-3-30076,Cc1ccc(-c2nnc3cncc(-c4ncc(-c5cncnn5)cc4F)n23)c(-c2ccccn2)n1,WQBIVULYTZFRBG-UHFFFAOYSA-N,3,1,0.283,70,935,462.452,3.61,6,0.387,0.62,0.825,0.24496264820779934,0.3287386059899938,0.30635323144404086,0.3370742238366116,0.3042821773696114
EOS-3-30077,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cnccc4F)n23)ccc1F,YVVOWPIAHMZYGG-UHFFFAOYSA-N,3,1,0.529,16,79,420.383,2.839,5,0.431,0.63,1.0,0.6260451648276335,0.5595915290247413,0.6854053868823248,0.6715098348296895,0.6356379788910973
EOS-3-30078,Fc1cccnc1CCOc1cncc2nnc(-c3cc(-c4cccnc4)ccn3)n12,SAKOYGQFNRONJN-UHFFFAOYSA-N,3,1,0.452,18,699,413.416,3.404,5,0.421,0.8,1.0,0.6202624905763827,0.6025289562058803,0.46078918511411143,0.48230073332876433,0.5414703413062847
EOS-3-30079,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cnnn1C,JXIJFJLYBDMGHB-UHFFFAOYSA-N,3,1,0.449,51,638,449.862,2.618,5,0.385,0.62,1.0,0.47443629634706325,0.44620827907614286,0.2230398876019464,0.18241553012130765,0.3315249982866151
EOS-3-30080,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c(F)c2)nn1C,SXAGLYQNMQHFRF-UHFFFAOYSA-N,3,1,0.482,13,145,453.84,4.619,5,0.395,0.74,1.0,0.532314440408471,0.718173874306079,0.7117315468439449,0.7485436227811665,0.6776908710849153
EOS-3-30081,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nn1,LTGOPDXBOWDOSC-UHFFFAOYSA-N,3,1,0.286,10,37,425.391,2.358,6,0.456,0.59,0.991,0.029898567610170654,0.1806764443835241,0.21275101089712836,0.2869405798094716,0.17756665067507366
EOS-3-30082,Cn1nncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,NSNHTBSFOCNXQW-UHFFFAOYSA-N,3,1,0.44,46,223,438.373,2.978,5,0.389,0.63,1.0,0.4340261119868412,0.3721472140360496,0.7885083270509218,0.7561596189431842,0.5877103180042492
EOS-3-30083,Cn1cc(-c2cc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)nn2C)cn1,LOHUNHCCBAMGCO-UHFFFAOYSA-N,3,1,0.424,95,956,442.817,3.649,5,0.422,0.61,1.0,0.3736635597285998,0.3864539784798849,0.6910167226372421,0.6918134466451923,0.5357369268727298
EOS-3-30084,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cnc(C)cn1,KUJYJXVGKYPHSV-UHFFFAOYSA-N,3,1,0.523,16,248,431.481,3.601,5,0.402,0.64,1.0,0.4134826262764718,0.2578815708313344,0.29565314234802276,0.17661572202042355,0.2859082653690631
EOS-3-30085,Cn1nccc1-c1cnnc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,IDTFEHXFNDVTHH-UHFFFAOYSA-N,3,1,0.467,92,69,435.398,2.893,5,0.401,0.61,1.0,0.4318929477074909,0.4374443149886917,0.5568758138578576,0.4293485710369406,0.46389041189774516
EOS-3-30086,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)nn2)cc1,JEIIWAWXAJSETN-UHFFFAOYSA-N,3,1,0.3,69,220,417.432,4.57,6,0.415,0.82,1.0,0.11293776985813173,0.06388355835789185,0.5367692413131382,0.5923428825988624,0.32648336303200604
EOS-3-30087,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)cn(C)c2=O)cn1,QHFAQJDVIRXWIF-UHFFFAOYSA-N,3,1,0.444,65,552,446.496,2.333,5,0.391,0.62,1.0,0.18725584264272496,0.02639469536015352,0.07545747378521006,0.05876910424234117,0.08696927900760743
EOS-3-30089,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)c4)n23)c1,RYICRDRFSTWBRF-UHFFFAOYSA-N,3,1,0.51,26,328,454.469,3.702,5,0.369,0.68,1.0,0.6202710575011994,0.5131587965184018,0.7195959838256459,0.639855047632102,0.6232202213693373
EOS-3-30090,COc1cc(-c2cnn(C)n2)ccc1-c1nnc2cncc(OCc3cncc(Cl)n3)n12,HPUYJNVCJWNPIM-UHFFFAOYSA-N,3,1,0.419,92,94,449.862,2.618,5,0.385,0.66,1.0,0.43654478788294154,0.4008721129463368,0.25191899115893357,0.18773559043245835,0.3192678706051676
EOS-3-30092,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccc2Cl)n(C)n1,FETRWGOEQWOFJE-UHFFFAOYSA-N,3,1,0.541,4,911,467.32,4.176,5,0.383,0.73,1.0,0.42523644712494,0.7042440545541773,0.39952710575011996,0.49131313823589884,0.505080186416284
EOS-3-30093,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cc4)n23)nc1,ARMUDZWVNQIVAB-UHFFFAOYSA-N,3,1,0.39,93,74,464.92,4.969,6,0.366,0.83,1.0,0.18175587691042425,0.32436090740867657,0.6315622644095675,0.7166575286135289,0.4635841443355493
EOS-3-30094,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4cnccc4F)n23)c1,ITALGUCNFWBULS-UHFFFAOYSA-N,3,1,0.478,65,349,431.435,2.62,5,0.387,0.63,1.0,0.4597354533616613,0.39113151942978547,0.20568329792337742,0.2106692481666781,0.3168048797203756
EOS-3-30095,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nn2)c1,BGTWTAIKIBCGOJ-UHFFFAOYSA-N,3,1,0.326,3,783,440.467,4.302,6,0.406,0.64,1.0,0.023130697005003083,0.16777465560962238,0.5568843807826742,0.6309711465972174,0.34469021999862925
EOS-3-30096,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncc(F)n6)cc5)n34)c(F)c2)n1,BYKFXQHAXZBWFK-UHFFFAOYSA-N,3,1,0.354,9,867,467.443,3.989,6,0.387,0.67,1.0,0.26105989993831813,0.3334418477143445,0.6613151942978548,0.6568603933931876,0.47816933383592625
EOS-3-30097,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)c(-c2ccccc2)n1,MRYNILZGUHCGER-UHFFFAOYSA-N,3,1,0.361,9,553,444.502,4.624,6,0.394,0.69,1.0,0.20668562812692756,0.03766020149407169,0.40297957645123705,0.38853574121033513,0.25896528682064285
EOS-3-30098,Fc1cnc(-c2ncsn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ZZZKWMKCISCROT-UHFFFAOYSA-N,3,1,0.632,73,665,439.863,4.076,5,0.407,0.66,1.0,0.9070060311150709,0.9099873209512713,0.6110958810225482,0.6918220135700089,0.7799778116647248
EOS-3-30099,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)cn2)n(C)n1,FHIZUTDPYHVYFE-UHFFFAOYSA-N,3,1,0.488,31,986,430.476,1.954,5,0.402,0.64,1.0,0.25828421629771775,0.19356966623260916,0.012439174833801659,0.004994517168117333,0.11732189363306146
EOS-3-30100,Cc1cccc(-c2ncncc2-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)n1,IPPATLHXGZSEOW-UHFFFAOYSA-N,3,1,0.239,70,813,446.478,3.414,6,0.405,0.61,0.525,0.045267630731272705,0.028827702008087177,0.22662942910013023,0.19587416900829277,0.12414973271194571
EOS-3-30101,Fc1cnc(-c2ccncc2-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)nc1,LHUUMBRBCRFQSM-UHFFFAOYSA-N,3,1,0.667,84,166,449.396,3.682,5,0.391,0.63,1.0,0.9100044548009046,0.8784096360770338,0.7995682269892399,0.794745048317456,0.8456818415461586
EOS-3-30102,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)cn2)cn1,AAMROEOHHKJCMN-UHFFFAOYSA-N,3,1,0.521,65,282,442.458,3.416,5,0.394,0.65,1.0,0.7785706942635872,0.8246350490028099,0.4171321362483723,0.302352477554657,0.5806725892673567
EOS-3-30103,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)nc4Cl)n23)cn1,DZPBLXCGSRLDHW-UHFFFAOYSA-N,3,1,0.424,7,535,434.851,2.611,5,0.414,0.6,1.0,0.4113066273730382,0.5500993763278733,0.06907511479679254,0.06660784044959221,0.2742722397368241
EOS-3-30104,COc1nc(-c2ccc(F)cc2)ccc1-c1nnc2cncc(-c3ccnc(F)c3)n12,ALEAJGSPYPBBHH-UHFFFAOYSA-N,3,1,0.359,96,46,416.391,4.202,5,0.409,0.81,1.0,0.5720906723322596,0.6649133027208554,0.797220889589473,0.7831454321156878,0.7043425741895689
EOS-3-30105,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)o1,WLBVWAUXPAZMSN-UHFFFAOYSA-N,3,1,0.462,27,185,437.37,2.851,5,0.391,0.63,0.998,0.5168083064903023,0.49519395517784937,0.3137893221849085,0.2309985607566308,0.38919753615242275
EOS-3-30106,Cc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5nnc(CO)o5)c4)n23)cc(C)n1,QQFVVWXOURWPJR-UHFFFAOYSA-N,3,1,0.489,4,677,447.43,3.064,5,0.418,0.62,1.0,0.5478462751010897,0.4769207045438969,0.3657562881228154,0.27531526283325336,0.4164596326502638
EOS-3-30107,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1,HOCMMZYATGLFDB-UHFFFAOYSA-N,3,1,0.595,37,265,433.422,3.487,5,0.408,0.62,1.0,0.8221934754300596,0.607540607223631,0.7476697964498663,0.6947433349324926,0.7180368035090124
EOS-3-30108,Fc1cc(-c2nccnn2)ccc1-c1nnc2cncc(OCc3cc(Cl)ccn3)n12,UKIWUUFHBZKLJE-UHFFFAOYSA-N,3,1,0.566,4,712,434.822,3.41,5,0.414,0.58,1.0,0.6615979028168049,0.8318398327736276,0.6111044479473648,0.6598245493797547,0.691091683229388
EOS-3-30109,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cccc(-c5ncccc5F)c4)n23)cc1,PPGJKIKIYUKGPU-UHFFFAOYSA-N,3,1,0.313,3,498,464.439,4.651,6,0.375,0.73,1.0,0.20392707833596052,0.3243694743334932,0.6910252895620588,0.7947536152422726,0.5035188643684463
EOS-3-30110,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)nn5)nn4)n23)c(F)c1,BVKXTPKMDGMKJI-UHFFFAOYSA-N,3,1,0.308,98,765,474.851,2.417,6,0.378,0.66,1.0,0.032477211979987666,0.25298985676101704,0.17868891782605717,0.2842848331163046,0.18711020492084163
EOS-3-30111,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)cnc1Cl,NYWPTKAEJGYZIT-UHFFFAOYSA-N,3,1,0.402,46,160,434.822,3.41,5,0.387,0.62,1.0,0.6736944006579398,0.5684754300596258,0.7065828250291275,0.7085960523610445,0.6643371770269344
EOS-3-30112,c1cc(-c2nnns2)nc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1,VTTHBHWXXUSASC-UHFFFAOYSA-N,3,1,0.283,76,387,441.505,3.89,6,0.405,0.64,0.9,0.03640943047083819,0.11344321842231513,0.12350078815708314,0.19048557329860874,0.1159597525872113
EOS-3-30113,Cc1nc(CCOc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)ccc1F,ZSFOHDVLASEJLC-UHFFFAOYSA-N,3,1,0.517,75,496,433.472,3.774,5,0.402,0.67,1.0,0.6798968542252073,0.6216160646974163,0.35480775820711397,0.30885477349050783,0.49129386265506136
EOS-3-30114,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncs4)n23)cc1Cl,FLYGSRUCGYJKFN-UHFFFAOYSA-N,3,1,0.524,16,256,423.889,3.881,5,0.426,0.67,1.0,0.6090826536906312,0.559600095949558,0.536777808237955,0.5376430676444384,0.5607759063806457
EOS-3-30115,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccnc(F)c5)n4)n23)cn1,RIISKZSWUDHSPV-UHFFFAOYSA-N,3,1,0.29,99,871,439.418,2.369,6,0.384,0.59,0.992,0.021160304297169488,0.1562692755808375,0.19176204509629224,0.19865841957370983,0.14196251113700226
EOS-3-30116,COCn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nn2)cn1,GKYOZDBYHFBJMQ-UHFFFAOYSA-N,3,1,0.294,8,890,466.469,1.906,6,0.357,0.61,1.0,0.08570351586594475,0.067515934480159,0.05702145157974094,0.051718525118223564,0.06548985676101705
EOS-3-30117,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)nc1,GABBGFSDLDASGK-UHFFFAOYSA-N,3,1,0.287,70,392,460.461,3.171,6,0.378,0.62,1.0,0.24236686998834897,0.1134517853471318,0.2847731478308546,0.22483894181344666,0.2163576862449455
EOS-3-30118,Cc1ccnc(-c2cc(C#N)cc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)n1,IKVJOPQJWRNUES-UHFFFAOYSA-N,3,1,0.522,35,632,452.453,3.584,5,0.384,0.63,1.0,0.9359108354465081,0.8283616612980604,0.6584024398601878,0.6041738057706806,0.7567121855938592
EOS-3-30119,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)nc1,KYVAGFYTWRUCAE-UHFFFAOYSA-N,3,1,0.429,54,511,430.859,3.579,5,0.39,0.62,1.0,0.516816873415119,0.46377904187512853,0.4679340004112124,0.4640189157699952,0.4781372078678638
EOS-3-30120,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccnn5C)n34)cn2)c(CCl)n1,IARAWBUHMQZXBH-UHFFFAOYSA-N,3,1,0.36,92,986,433.863,3.216,5,0.389,0.67,1.0,0.3506013981221301,0.33345041463916114,0.14117435405386883,0.10659824549379755,0.2329561030772394
EOS-3-30121,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)cn1,UPLQBTYIIHTEAB-UHFFFAOYSA-N,3,1,0.308,10,871,454.885,3.488,6,0.401,0.62,0.932,0.033676581454321154,0.2027876773353437,0.27348194092248646,0.3629206360084984,0.21821670893016243
EOS-3-30122,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cn2)s1,RFPVQPRIWCBALW-UHFFFAOYSA-N,3,1,0.317,42,693,460.429,4.305,6,0.383,0.68,1.0,0.3983363032006031,0.472431635939963,0.5537403193749572,0.595289904735796,0.5049495408128297
EOS-3-30123,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)cn2)c(C)n1,AEDLAWCQMCUGCZ-UHFFFAOYSA-N,3,1,0.293,10,705,464.468,3.647,6,0.389,0.63,1.0,0.016294291001302173,0.159918785552738,0.2884997601261051,0.30236104447947365,0.19176847028990474
EOS-3-30124,c1ccc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)n2)cc1,JLJLJRYWZZAHLF-UHFFFAOYSA-N,3,1,0.328,30,93,427.471,4.977,6,0.395,0.79,1.0,0.0906980330340621,0.08169419505174423,0.3995356726749366,0.5110170653142349,0.2707362415187444
EOS-3-30125,Cc1cc(-c2nnc3cncc(CCc4cncc(-c5cncnn5)c4F)n23)ccc1Cl,XGKQAWWPGBCDPV-UHFFFAOYSA-N,3,1,0.366,85,580,446.877,3.924,5,0.403,0.62,1.0,0.4090963607703379,0.5596086628743746,0.6553354807758207,0.7194589130285792,0.5858748543622782
EOS-3-30126,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(F)ncc5F)c4)n23)cc1,JHICTBZMKGDHQB-UHFFFAOYSA-N,3,1,0.529,97,91,430.418,4.414,5,0.384,0.73,1.0,0.955203550133644,0.8423685833733123,0.9010434514426702,0.8662617366869988,0.8912193304091564
EOS-3-30127,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(F)cnc5F)n4)n23)cc1,HORPPLFQAHSZPR-UHFFFAOYSA-N,3,1,0.441,89,731,474.431,2.86,5,0.373,0.67,1.0,0.6065297100952642,0.3530172709204304,0.5167312041669523,0.397693783839353,0.4684929922555
EOS-3-30128,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)nc4)n23)cc1,FFYRAYRLBUWGJJ-UHFFFAOYSA-N,3,1,0.461,56,415,463.465,2.413,6,0.362,0.62,1.0,0.459744020286478,0.207448084435611,0.11188403810568158,0.09034678911657872,0.21735573298608732
EOS-3-30129,Clc1ccc(COc2cncc3nnc(-c4cc(Cl)cc(-c5cccnn5)c4)n23)nc1,DVFGBYDPHXAUSC-UHFFFAOYSA-N,3,1,0.61,4,712,450.289,4.529,5,0.389,0.67,1.0,0.4769635391679803,0.6453635802892194,0.7589010348845179,0.8242838050853266,0.676377989856761
EOS-3-30130,Cc1csc(COc2cncc3nnc(-c4ccc(-c5csc(C)n5)nc4)n23)n1,QSIMTCXCCPJWOW-UHFFFAOYSA-N,3,1,0.482,4,464,421.511,3.962,5,0.424,0.76,1.0,0.3551761359742307,0.414844767322322,0.06908368172160921,0.04648413405523953,0.22139717976835036
EOS-3-30131,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cn1,SGFCNWOJBSDEQK-UHFFFAOYSA-N,3,1,0.578,35,4,432.484,4.379,5,0.396,0.69,1.0,0.752424439723117,0.767587896648619,0.6257281886094168,0.5736155849496265,0.6798390274826949
EOS-3-30132,Fc1ncccc1OCc1cncc2nnc(-c3cccc(-c4ccnc(Cl)c4)c3)n12,TYLNIPIVNKNIQH-UHFFFAOYSA-N,3,1,0.398,14,189,432.846,4.62,5,0.377,0.76,1.0,0.5893530258378452,0.6307741073264341,0.8605647316839148,0.8630834075800151,0.7359438181070523
EOS-3-30133,c1cncc(-c2cnc(COc3cncc4nnc(-c5cnc(-c6ccsc6)cn5)n34)cn2)c1,GILOWKAYWMYHQU-UHFFFAOYSA-N,3,1,0.447,80,277,465.502,3.741,6,0.362,0.69,1.0,0.34612946336782946,0.3196405318346926,0.2303903090946474,0.21915050373517922,0.27882770200808715
EOS-3-30134,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,HSJDMHXXPKDIDJ-UHFFFAOYSA-N,3,1,0.512,65,456,440.467,2.977,5,0.377,0.64,1.0,0.4180830649030224,0.15992735247755466,0.17228085806318963,0.0922914810499623,0.21064568912343223
EOS-3-30135,CCOCOc1ccc(F)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,OZYJKGIKWJSVLI-UHFFFAOYSA-N,3,1,0.368,0,862,447.47,3.862,5,0.326,0.82,0.956,0.4252450140497567,0.362492289767665,0.4539270783359605,0.4385751490644918,0.4200598828044685
EOS-3-30136,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nn[nH]n6)n5)n34)c(Cl)n2)ccn1,PJKYMNUGPFMXPB-UHFFFAOYSA-N,3,1,0.279,76,387,471.847,3.283,6,0.384,0.66,0.991,0.2341426221643479,0.36250085669248167,0.34313103968199576,0.45463813309574397,0.34860316290864235
EOS-3-30137,Cc1nnccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)nc1,CHEQMVAKZBLTJI-UHFFFAOYSA-N,3,1,0.309,38,42,445.49,4.019,6,0.404,0.62,1.0,0.13482626276471799,0.03169762182167089,0.4029881433760537,0.34650640805976285,0.22900460900555136
EOS-3-30138,Cc1nocc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,SDBLBPLRRMGTCV-UHFFFAOYSA-N,3,1,0.562,4,335,419.832,3.777,5,0.424,0.75,1.0,0.792603317113289,0.8206685628126927,0.3470032896991296,0.385134672058118,0.5863524604208074
EOS-3-30139,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn(C)c2=O)cn1,UNMVGKQPNKJOFD-UHFFFAOYSA-N,3,1,0.436,87,954,458.457,2.411,5,0.357,0.67,1.0,0.35518470289904736,0.15231992324035365,0.2196645192241793,0.1904941402234254,0.2294158213967514
EOS-3-30140,Fc1ncccc1-c1ncc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cn1,BDHNMPCTGCIHLE-UHFFFAOYSA-N,3,1,0.296,86,874,449.413,2.696,6,0.37,0.59,1.0,0.22302275375231306,0.3196490987595093,0.2659687478582688,0.28429340004112125,0.2732335001028031
EOS-3-30142,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)nc2C)s1,GJOQVIUURWOFQA-UHFFFAOYSA-N,3,1,0.402,53,565,434.46,3.435,5,0.388,0.67,1.0,0.5141868274964019,0.49977725995476663,0.15949900623672128,0.1451751079432527,0.3296595504077856
EOS-3-30143,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)s1,OCYTWEWQAMHJIL-UHFFFAOYSA-N,3,1,0.477,46,62,457.441,4.246,5,0.393,0.69,0.999,0.5803748886299774,0.3911400863546022,0.8318912343225275,0.6484562401480365,0.6129656123637859
EOS-3-30144,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ncc(F)cn5)c4)n23)nc1,FUGYJAZCYUHWGB-UHFFFAOYSA-N,3,1,0.267,99,286,452.417,2.035,6,0.39,0.55,0.986,0.14851620862175313,0.17198958261942293,0.09626653416489617,0.1159790281680488,0.13318783839353027
EOS-3-30145,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,RRGFAULGBQEPOS-UHFFFAOYSA-N,3,1,0.309,32,693,453.466,3.968,6,0.395,0.63,1.0,0.26896717154410255,0.34358508669727916,0.5333253375368378,0.560705229250908,0.4266457062572819
EOS-3-30146,Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ncn4)n23)n1,LRNPWDJJVPZDDQ-UHFFFAOYSA-N,3,1,0.441,44,130,431.406,3.809,5,0.418,0.67,0.99,0.5833733123158111,0.5544599410595573,0.7168802686587622,0.6803766020149408,0.6337725310122678
EOS-3-30147,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)s1,XFUDWVKGAUCPBO-UHFFFAOYSA-N,3,1,0.354,30,641,452.478,4.573,6,0.387,0.73,0.93,0.11849770406414914,0.31965766568432596,0.3100455760400247,0.46402748269481187,0.3030571071208279
EOS-3-30148,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccncc5)n34)cc2F)n1,XVBABBLDRFLWSF-UHFFFAOYSA-N,3,1,0.543,16,256,414.404,3.065,5,0.432,0.74,1.0,0.7699438009732027,0.7181824412308958,0.457268179014461,0.4166181207593722,0.590503135494483
EOS-3-30149,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1,AAWJGDGEWDFSFO-UHFFFAOYSA-N,3,1,0.338,9,98,420.436,3.909,6,0.426,0.68,1.0,0.22303132067712975,0.08513809882804468,0.4539356452607772,0.41662668768418887,0.2946829381125351
EOS-3-30150,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)s4)n23)cc1F,GEAMMSJOBYLNPU-UHFFFAOYSA-N,3,1,0.333,94,566,455.482,3.911,6,0.397,0.62,1.0,0.1817644438352409,0.35302583784524705,0.41714070317318896,0.43858371598930845,0.34762867521074636
EOS-3-30151,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,ACEXQTFFKHWDNC-UHFFFAOYSA-N,3,1,0.447,18,578,462.876,3.761,5,0.351,0.69,1.0,0.7981718182441231,0.7502056061956001,0.49519395517784937,0.5044548009046672,0.63700654513056
EOS-3-30152,Cc1ncc(CF)cc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cnn1,XYWFKOFNWQGEQL-UHFFFAOYSA-N,3,1,0.48,65,393,442.458,3.438,5,0.378,0.63,1.0,0.5694177917894593,0.4415393050510589,0.4171492700980056,0.34335377972722914,0.44286503666643817
EOS-3-30153,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nc1,XIFUEAWTKQRFAW-UHFFFAOYSA-N,3,1,0.518,2,491,448.849,3.452,5,0.364,0.63,1.0,0.8534456171612638,0.8388047426495785,0.5300356384072373,0.5576468370913576,0.6949832088273593
EOS-3-30154,Cc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3cc(F)c(Cl)cn3)n12,NQJKGNRUTSYBKY-UHFFFAOYSA-N,3,1,0.529,97,666,446.873,4.928,5,0.381,0.78,1.0,0.7926118840381057,0.8053509012404907,0.8385391679802618,0.8303920224796107,0.8167234939346173
EOS-3-30155,Cc1nc(-c2ccc(Cl)nc2)ccc1-c1nnc2cncc(OCc3cncc(F)c3)n12,KLAMBRXVCGAEGQ-UHFFFAOYSA-N,3,1,0.467,55,959,447.861,4.323,5,0.37,0.72,1.0,0.8463864711123296,0.812975464327325,0.7090243986018778,0.7086046192858612,0.7692477383318483
EOS-3-30156,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c(F)c2)cn1,CJBYGIDFLJNGPY-UHFFFAOYSA-N,3,1,0.511,16,55,447.861,4.323,5,0.37,0.72,1.0,0.8487766431361798,0.8583116304571311,0.7730964293057364,0.7459735453361661,0.8065395620588034
EOS-3-30157,Fc1cccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccn5)cnn4)n23)c1,ICIWHAROJVRFEC-UHFFFAOYSA-N,3,1,0.535,4,534,417.379,3.501,5,0.432,0.67,1.0,0.537471729148105,0.5837331231581112,0.72470187101638,0.7561681858680008,0.6505187272976493
EOS-3-30158,Cc1ccc(-c2cc(-c3nnc4cncc(Cc5cccc(F)c5)n34)nc(C)n2)cn1,HOLLFBGJIJCOKJ-UHFFFAOYSA-N,3,1,0.371,14,500,411.444,3.99,5,0.445,0.85,1.0,0.23415118908916455,0.2890137756151052,0.49870639435268316,0.48836611609896513,0.37755936878897955
EOS-3-30159,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)c(-c5cnc(Cl)nn5)nn4)n23)cn1,VJMVTJJIKHBNCV-UHFFFAOYSA-N,3,1,0.467,53,617,467.28,3.023,5,0.38,0.66,1.0,0.634415050373518,0.7228771160304297,0.1626087999451717,0.23982249331779865,0.4399308649167295
EOS-3-30160,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)n2)s1,OSPKDGCPKSKZGL-UHFFFAOYSA-N,3,1,0.506,4,268,449.927,4.554,5,0.388,0.75,0.999,0.4917243506270989,0.7089387293537112,0.2992341169213899,0.33373312315811116,0.45840758001507775
EOS-3-30161,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(F)nn6C)nc5)n34)cn2)nn1,RUIXGVBTHRWNQQ-UHFFFAOYSA-N,3,1,0.354,70,887,464.468,3.553,6,0.389,0.65,0.978,0.18726440956754165,0.26841888835583577,0.31379788910972517,0.2869491467342883,0.2641075834418477
EOS-3-30162,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(C#CC5CC5)cn4)n23)cn1,QKDQNFHWCSKYSN-UHFFFAOYSA-N,3,1,0.462,68,127,419.395,3.254,5,0.459,0.64,1.0,0.5694263587142759,0.6746024946885066,0.5400332396682886,0.5242700980056199,0.5770830477691729
EOS-3-30163,Clc1ccncc1-n1cc(-c2cncc3nnc(-c4cccnc4-c4cccnc4)n23)cn1,BXNMTSBZAMMSOB-UHFFFAOYSA-N,3,1,0.282,42,151,451.881,4.149,6,0.397,0.63,1.0,0.013201631142485093,0.14465252552943594,0.512970324172435,0.6041823726954972,0.31875171338496333
EOS-3-30164,FC(F)(F)c1cnc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)cn1,YMVWIMJUPYAPBO-UHFFFAOYSA-N,3,1,0.541,27,921,464.411,3.679,5,0.375,0.64,1.0,0.7642467959701186,0.7629960249468851,0.7731049962305531,0.6136231238434652,0.7284927352477555
EOS-3-30165,COc1cnc(-c2cc(COc3cncc4nnc(-c5cnccn5)n34)c(Cl)cn2)c(C)c1,XIDJQPYGZYCSCF-UHFFFAOYSA-N,3,1,0.387,7,540,460.885,3.588,5,0.375,0.66,0.999,0.6036683572064971,0.5837416900829279,0.3958604619285861,0.3210540744294428,0.4760811459118635
EOS-3-30166,Cc1ccc(-c2nnc3cncc(-c4cccc(F)c4CCc4nnc(C)n4C)n23)nn1,NRWONOKMGSKRIU-UHFFFAOYSA-N,3,1,0.291,53,785,429.463,2.918,5,0.423,0.69,0.841,0.17034473305462272,0.21233979850592832,0.04292886025632239,0.07214207388115962,0.12443886642450826
EOS-3-30167,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnon6)cc5)n34)cn2)n1,GPEZMSLIBHBKAB-UHFFFAOYSA-N,3,1,0.313,32,339,436.41,4.104,6,0.38,0.71,1.0,0.29614145706257283,0.29442807209923927,0.6140514700842985,0.6250856692481667,0.4574266671235693
EOS-3-30169,Cn1cc(-c2cccc(Cc3cncc4nnc(-c5ccc(-c6nccn6C)cc5F)n34)c2)cn1,PYNMGRIFJUNRDO-UHFFFAOYSA-N,3,1,0.346,14,42,464.508,4.322,6,0.38,0.72,1.0,0.28238297580700433,0.3196662326091426,0.6827496401891577,0.6339438695086012,0.4796856795284764
EOS-3-30170,COc1nc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)ccc1-c1nccn1C,NJSPWSKZHDRIMR-UHFFFAOYSA-N,3,1,0.43,49,551,465.876,3.967,5,0.374,0.7,0.994,0.6177181139058323,0.554468507984374,0.570197381947776,0.5312607086560208,0.5684111781235008
EOS-3-30171,Fc1ncccc1-c1cnc(-c2nnc3cncc(-c4cncc(-c5cnnnc5)c4)n23)cn1,DOISHVPCMYKASP-UHFFFAOYSA-N,3,1,0.267,86,967,449.413,2.696,6,0.37,0.61,0.817,0.22044410938249606,0.2735333424713865,0.40674045644575424,0.43255260091837433,0.33331762730450276
EOS-3-30172,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ncc5F)nn4)n23)nn1,NOKKAUMDBUQMOZ-UHFFFAOYSA-N,3,1,0.409,53,587,433.382,2.599,5,0.386,0.61,0.997,0.5374802960729217,0.5176307312727023,0.3509440751147968,0.3433623466520458,0.43735436227811664
EOS-3-30173,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)nn1,PGMHDZUYDNDZEV-UHFFFAOYSA-N,3,1,0.435,46,469,452.812,3.549,5,0.399,0.6,1.0,0.5274312932629703,0.5837502570077445,0.716888835583579,0.7406534850250154,0.6421809677198274
EOS-3-30174,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccc5F)ncn4)n23)ccc1Cl,FZEJETLVFLWFBQ-UHFFFAOYSA-N,3,1,0.58,44,488,450.836,4.759,5,0.384,0.74,0.982,0.9084110067850044,0.8670413268453157,0.9288773901720239,0.9443492563909259,0.9121697450483175
EOS-3-30175,COc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4cccc(Cl)n4)nn3)n12,NTKUGHDQIHDQTK-UHFFFAOYSA-N,3,1,0.4,54,691,463.86,4.023,5,0.348,0.75,0.997,0.7728137207867863,0.6698649852648894,0.6231409773147831,0.6136316907682818,0.6698628435336852
EOS-3-30176,Cc1ncn(C)c1-c1ccc(-c2cncc3nnc(-c4cc(Cl)ccc4F)n23)cn1,SVMXGJCGQWCTRN-UHFFFAOYSA-N,3,1,0.333,22,844,419.851,4.355,5,0.434,0.76,0.777,0.2610684668631348,0.41485333424713866,0.6690168597080393,0.7219604550750462,0.5167247789733398
EOS-3-30177,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)c(Cl)cc4F)n23)c(F)c1,IGIFGPMLKRTZBJ-UHFFFAOYSA-N,3,1,0.42,66,225,481.812,4.692,4,0.429,0.81,1.0,0.4992803783153999,0.664921869645672,0.9947656089370159,0.9890343362346652,0.7870005482831882
EOS-3-30178,O=C(NCCO)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncs5)c4)n23)cc1,YQJOWOAZLVXZRG-UHFFFAOYSA-N,3,1,0.479,89,656,473.518,2.611,5,0.352,0.82,1.0,0.3897179768350353,0.11346035227194846,0.26965252552943597,0.15269686793228704,0.23138193064217671
EOS-3-30179,Cc1cnc(-c2cnnc(COc3cncc4nnc(-c5cccc(F)c5)n34)c2)s1,WMTHTEZMSQBNEU-UHFFFAOYSA-N,3,1,0.534,4,534,419.445,3.731,5,0.429,0.7,1.0,0.4227777397025564,0.517639298197519,0.3358234528133781,0.34987320951271333,0.4065284250565417
EOS-3-30180,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)nc(Cl)n4)n23)nc1,BKLRPQAPEXPXAO-UHFFFAOYSA-N,3,1,0.398,33,53,460.845,1.765,5,0.369,0.62,0.762,0.4553149201562607,0.3435936536220958,0.09180316633541225,0.07789048043314371,0.24215055513672812
EOS-3-30181,Cn1nncc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c1,FJAYWAHHGDPYLZ-UHFFFAOYSA-N,3,1,0.512,67,755,464.493,2.961,6,0.37,0.63,1.0,0.3642827770543486,0.1981786717839764,0.262482009457885,0.21378760879994518,0.2596827667740388
EOS-3-30182,COc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,SKBIRLLDXBVDCJ-UHFFFAOYSA-N,3,1,0.522,26,982,461.913,3.87,5,0.363,0.68,1.0,0.5803834555547941,0.4856761017065314,0.620151120553766,0.5210660681241861,0.5518191864848194
EOS-3-30183,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)c(C)n1,OTOKDBPGKHZPBS-UHFFFAOYSA-N,3,1,0.489,87,304,458.913,3.93,5,0.377,0.66,1.0,0.7465903639229662,0.8206771297375094,0.29924268384620656,0.2812007401823042,0.5369277294222465
EOS-3-30184,c1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)nc1,BKCVCTVYIGHIMT-UHFFFAOYSA-N,3,1,0.319,32,126,434.488,4.434,6,0.405,0.67,1.0,0.09529847166061271,0.1523284901651703,0.3285415667192105,0.34988177643753,0.23151257624563087
EOS-3-30185,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)nc1,DSLQCSMJLKPGOV-UHFFFAOYSA-N,3,1,0.506,73,82,451.824,4.154,5,0.371,0.69,1.0,0.8666215475292989,0.8521434445891303,0.830254951682544,0.834435610993078,0.8458638886985128
EOS-3-30186,CC(C)(O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(C(F)F)nc4)n23)cn1,UIHFEYDZUFEQAL-UHFFFAOYSA-N,3,1,0.361,82,204,459.46,4.475,5,0.414,0.68,0.873,0.37121341923103285,0.4148619011719553,0.8718816393667329,0.7029161812075937,0.5902182852443287
EOS-3-30187,Cc1nc(-c2cncn2C)cc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)n1,FRRHLCHFGVUPJD-UHFFFAOYSA-N,3,1,0.468,31,531,464.892,3.704,5,0.378,0.66,0.992,0.5221112329518196,0.4637876087999452,0.4886402576930985,0.4913217051607155,0.4914652011513947
EOS-3-30188,c1ccc(-c2ncsc2-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)cc1,JHJWWTSLMQLMLT-UHFFFAOYSA-N,3,1,0.308,64,365,434.488,4.434,6,0.405,0.71,0.993,0.026566033856486874,0.05592488520320746,0.14118292097868548,0.23100712768144746,0.11367024192995681
EOS-3-30189,c1ccc(-c2ccc(-c3cncc4nnc(-c5scnc5-c5ccccn5)n34)nc2)nc1,VKXPZIBCOCRADR-UHFFFAOYSA-N,3,1,0.304,32,368,434.488,4.434,6,0.405,0.71,1.0,0.061630457131108214,0.1197313412377493,0.20921287094784455,0.27532382975807,0.166474624768693
EOS-3-30191,Cc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)cn2)n1,QXPOBLPSHGXQJY-UHFFFAOYSA-N,3,1,0.488,7,212,444.886,3.888,5,0.402,0.62,1.0,0.5978599821807964,0.793014529504489,0.4281235007881571,0.4135168939757385,0.5581287266122952
EOS-3-30192,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccnn5C)nn4)n23)cc1,ALMCZHRIXLOTPG-UHFFFAOYSA-N,3,1,0.375,67,789,451.454,2.57,6,0.388,0.61,1.0,0.33898464807072853,0.22265437598519636,0.12070797066684943,0.08837639640874512,0.19268084778287986
EOS-3-30193,Fc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,VNNDMYAXQKGVLY-UHFFFAOYSA-N,3,1,0.554,57,962,433.393,4.85,5,0.397,0.74,1.0,0.9369217325748749,0.9033650880679871,0.9711123295181961,0.9713607703378795,0.9456899801247344
EOS-3-30194,c1ncc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)c2)cn1,KNVOUUAXJXQMOE-UHFFFAOYSA-N,3,1,0.315,42,761,420.396,2.755,6,0.419,0.65,1.0,0.11569631964909875,0.10741210335138099,0.29200363237612226,0.29924268384620656,0.20358868480570214
EOS-3-30195,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(F)c(-c6cnco6)n5)n34)cn2)nn1,SDIGRSVYYMLJRH-UHFFFAOYSA-N,3,1,0.312,76,368,455.388,3.639,6,0.392,0.6,0.758,0.3712219861558495,0.40088067987115344,0.48864882461791515,0.5110256322390515,0.44294428072099234
EOS-3-30197,Cc1ccc(-c2nc(C)ccc2-c2nnc3cncc(OCCc4ccncc4)n23)nc1,HXRVTGLNRUMMSL-UHFFFAOYSA-N,3,1,0.53,35,393,423.48,3.882,5,0.409,0.68,1.0,0.5720992392570763,0.4329809471592077,0.31768727297649235,0.24535672674936604,0.39203104653553555
EOS-3-30198,Cn1nccc1-c1ncccc1COc1cncc2nnc(-c3c(F)ccc(F)c3F)n12,BTSYGBBGOCQKRT-UHFFFAOYSA-N,3,1,0.506,59,877,437.385,3.583,5,0.391,0.62,1.0,0.5893615927626619,0.5934137482009458,0.77529812898362,0.7535809745733671,0.6779136111301487
EOS-3-30199,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)cnn1,MQCJKVUKYSOMPF-UHFFFAOYSA-N,3,1,0.557,19,386,431.406,3.543,5,0.38,0.66,1.0,0.837245562332945,0.8129840312521417,0.6854139538071414,0.7115173737235282,0.7617902302789391
EOS-3-30200,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)cc1,JMPMPJQGACMFSE-UHFFFAOYSA-N,3,1,0.535,19,207,431.406,3.543,5,0.38,0.66,1.0,0.8091717497087245,0.7414245082585155,0.7196045507504626,0.7432492632444657,0.7533625179905421
EOS-3-30201,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ccn2)nc1,RTIPBQDADBPAJC-UHFFFAOYSA-N,3,1,0.53,73,263,450.384,3.077,5,0.389,0.59,1.0,0.9199335206634227,0.842377150298129,0.637841820300185,0.6309797135220341,0.7577830511959427
EOS-3-30202,CCn1nc(C)nc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,YSCOYSGUKFUUFE-UHFFFAOYSA-N,3,1,0.495,36,463,447.89,3.401,5,0.389,0.63,1.0,0.4620313892125283,0.6993609074086766,0.06686484819409225,0.1111901171955315,0.33486181550270716
EOS-3-30203,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cc4)n23)cn1,AVASTRMVOUFVCN-UHFFFAOYSA-N,3,1,0.392,14,319,413.872,4.196,5,0.439,0.8,0.998,0.3116475909807416,0.3383935302583784,0.6081745596600644,0.6279041875128504,0.4715299671030087
EOS-3-30204,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)c1,BPYLJTMHBZJHPT-UHFFFAOYSA-N,3,1,0.396,2,511,418.367,2.896,5,0.429,0.69,1.0,0.6522171201425536,0.5222825714481529,0.6881211020492084,0.7029247481324103,0.6413863854430812
EOS-3-30205,Fc1cnc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ncccc5Cl)nn4)n23)cn1,CCLWUQLWGNMUES-UHFFFAOYSA-N,3,1,0.274,86,312,472.835,2.474,6,0.376,0.65,0.826,0.009380782674251251,0.1301401548900007,0.13184497292851757,0.24840655198409978,0.12994311561921731
EOS-3-30207,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ncccn5)n4)n23)c1,PFQHREPZWFKASA-UHFFFAOYSA-N,3,1,0.307,39,972,437.402,2.425,6,0.409,0.55,1.0,0.00602254814611747,0.08514666575286135,0.07106264135425948,0.14033479542183538,0.07564166266876843
EOS-3-30208,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5Cl)n4)n23)cc1,HQEWAHJYMNMALW-UHFFFAOYSA-N,3,1,0.325,8,973,472.875,3.627,6,0.386,0.68,1.0,0.08136008498389419,0.232514906449181,0.3470118566239463,0.48545336166129804,0.2865850524295799
EOS-3-30209,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1F,CDJHIOJBKCBZCD-UHFFFAOYSA-N,3,1,0.5,37,353,468.855,3.535,5,0.376,0.66,1.0,0.7981803851689397,0.8283702282228771,0.5537488862997738,0.5981769583990131,0.6946191145226509
EOS-3-30210,Cn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)c(F)c5)n34)cn2)n1,XFGWMDWNNLCOGY-UHFFFAOYSA-N,3,1,0.478,27,212,453.388,3.033,5,0.386,0.6,1.0,0.5833818792406278,0.5887619080254952,0.6854225207319581,0.6010982797614968,0.6146661469398944
EOS-3-30211,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)s1,CCLOZYDFLZRXFV-UHFFFAOYSA-N,3,1,0.284,76,368,449.503,4.137,6,0.395,0.65,0.991,0.04805188129668974,0.09132341854567884,0.14692276060585294,0.18242409704612433,0.11718053937358645
EOS-3-30212,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)c(Cl)c1,CHNAHVUTHNLGLL-UHFFFAOYSA-N,3,1,0.347,25,791,465.908,4.364,6,0.381,0.71,0.997,0.1872729764923583,0.2890223425399219,0.37751867589610033,0.5312692755808375,0.3462708176273045
EOS-3-30213,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(F)c(-c4ccccc4)c3)n12,LGVIXOOBWKXNRF-UHFFFAOYSA-N,3,1,0.605,57,660,429.43,4.753,5,0.39,0.76,1.0,0.9688506613665958,0.957242478240011,0.9085395106572545,0.9161126721951888,0.9376863306147626
EOS-3-30214,Cc1cnnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(C)n5)n34)nc2C)n1,OFYXRPPLGVYTLH-UHFFFAOYSA-N,3,1,0.319,31,690,429.419,3.29,5,0.424,0.61,1.0,0.640394763895552,0.5312607086560208,0.1440014392433692,0.10660681241861421,0.3555659310533891
EOS-3-30215,Cc1ccc(-c2nnc3cncc(CNc4ccc(-c5ccnc(F)c5)cn4)n23)cn1,RYOKYCFUQMDXCD-UHFFFAOYSA-N,3,1,0.369,14,81,412.432,3.703,5,0.44,0.82,1.0,0.12087930916318278,0.07813892125282708,0.5266088684805702,0.432561167843191,0.2895470666849428
EOS-3-30216,COc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cnc(C)cn5)c4)n23)n1,QHPODGZUQNSEQO-UHFFFAOYSA-N,3,1,0.433,65,822,441.455,2.372,5,0.371,0.61,1.0,0.4646271674319786,0.25789013775615105,0.10927969296141457,0.05732986087314098,0.22228171475567132
EOS-3-30217,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)ccc2F)cn1,NULZMVJALNOSMY-UHFFFAOYSA-N,3,1,0.566,35,545,449.877,4.001,5,0.389,0.66,1.0,0.7579758070043178,0.8053594681653073,0.8033719416078404,0.8012901788773902,0.7919993489137139
EOS-3-30218,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)nc2)cn1,GLXJDTYDQBLOJS-UHFFFAOYSA-N,3,1,0.278,42,174,418.42,3.965,6,0.423,0.71,1.0,0.1185062709889658,0.07128538139949284,0.5057312727023507,0.4944914673428826,0.297503598108423
EOS-3-30219,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,BQJZVJGEJMTJTD-UHFFFAOYSA-N,3,1,0.284,30,498,418.42,3.965,6,0.423,0.71,1.0,0.08571208279076142,0.028836268932903846,0.3431396066068124,0.43577376464944145,0.22336543074497978
EOS-3-30220,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncnc(C)n5)c(F)n4)n23)n(C)n1,CEAAENKKDTUARS-UHFFFAOYSA-N,3,1,0.354,31,662,432.423,2.107,5,0.384,0.66,0.726,0.3414176547186622,0.30933452128024125,0.06092796929614146,0.03442190391337126,0.18652551230210404
EOS-3-30221,COCc1ncc(-c2nnc3cncc(-c4ncc(C5CCC(F)(F)CC5)cn4)n23)cn1,AGAXZXRJOBDXSK-UHFFFAOYSA-N,3,1,0.253,78,792,438.442,3.478,5,0.467,0.6,0.147,0.2767630731272702,0.2578987046809677,0.12350935508189981,0.2575217599890343,0.22892322321979297
EOS-3-30222,OCc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)ccn1,NXTUFQQFRQPLME-UHFFFAOYSA-N,3,1,0.535,57,80,445.429,4.203,5,0.422,0.67,1.0,0.7842077307929546,0.7135563018298952,0.9369388664245083,0.9171664039476389,0.8379673257487492
EOS-3-30223,Cn1nnnc1-c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cc1F,KTQSCDAHBHJJRI-UHFFFAOYSA-N,3,1,0.368,85,362,456.367,2.52,5,0.379,0.62,1.0,0.3267682132821602,0.5043519978068672,0.6910338564868754,0.5981855253238297,0.5300848982249331
EOS-3-30224,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(C(F)F)nc4)n23)cc1,FEIADQZYKACFJU-UHFFFAOYSA-N,3,1,0.457,66,264,408.412,3.269,4,0.529,0.81,0.999,0.34613803029264617,0.222662942910013,0.64980981426907,0.47338256459461314,0.4229983380165856
EOS-3-30225,COc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cc1C,LBSLWNBHUOBAGE-UHFFFAOYSA-N,3,1,0.602,35,393,456.481,4.326,5,0.36,0.72,1.0,0.7130337194160784,0.6075491741484477,0.6854310876567747,0.5476406689054897,0.6384136625316976
EOS-3-30226,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cc(Cl)n1,XEJPRFLQZYZXQI-UHFFFAOYSA-N,3,1,0.421,92,45,462.861,1.708,5,0.371,0.65,1.0,0.4481615379343431,0.41955657597148927,0.07546604071002673,0.06499725858405866,0.2520453532999794
EOS-3-30227,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5cc(F)cnc5F)n34)nc2)n1,BSKKXUIPJQFWHB-UHFFFAOYSA-N,3,1,0.517,4,875,420.383,2.839,5,0.404,0.68,1.0,0.4818038516893976,0.5043605647316839,0.5469381810705229,0.482309300253581,0.5038529744362963
EOS-3-30228,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)cn5)n4)n23)c1,VDUJSBOLUNNPAI-UHFFFAOYSA-N,3,1,0.406,71,975,469.444,2.281,6,0.361,0.68,0.999,0.29067575902953874,0.37215578096086627,0.1469313275306696,0.15811973134123775,0.24197064971557808
EOS-3-30229,CC1CCCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCCO)cc4)n23)cc1,JYVUJVNZJZIMDK-UHFFFAOYSA-N,3,1,0.34,0,21,484.56,3.195,5,0.435,0.8,1.0,0.09070659995887877,0.011368309231718183,0.021177438146802823,0.03756596532108834,0.04020457816462203
EOS-3-30230,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)cnc2Cl)cn1,YODNSVNVNZJILR-UHFFFAOYSA-N,3,1,0.449,65,552,445.874,3.017,5,0.363,0.63,1.0,0.6737029675827565,0.7886625316976218,0.15618360633267084,0.1686399150161058,0.44679725515728874
EOS-3-30231,CCn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cc(C)nn6C)nc5)n34)cn2)cn1,PSSNGTCSKZJZKC-UHFFFAOYSA-N,3,1,0.274,99,450,451.498,2.964,6,0.396,0.63,1.0,0.01470084298540196,0.03481598245493798,0.10409670344733055,0.06661640737440888,0.05505748406551984
EOS-3-30232,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ccn2)ccn1,BUFHIIMQTJIHBD-UHFFFAOYSA-N,3,1,0.477,75,183,417.379,3.501,5,0.404,0.74,1.0,0.8091803166335412,0.6796826811047906,0.8189551778493592,0.7877030361181551,0.7738803029264615
EOS-3-30233,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ncn2)cc1,BPGRFDGYLQSQSY-UHFFFAOYSA-N,3,1,0.5,44,488,417.379,3.501,5,0.404,0.74,0.999,0.7954732369268728,0.6171441299431156,0.7663628263998356,0.7613940100061681,0.735093550818998
EOS-3-30235,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)cc4F)n23)cc1,HNAJUTALAILIJM-UHFFFAOYSA-N,3,1,0.379,83,472,457.896,5.277,5,0.398,0.82,1.0,0.37123055308066616,0.45935850866972794,0.915204578164622,0.915024672743472,0.665204578164622
EOS-3-30236,FC(F)c1ccc(Cc2cncc3nnc(-c4cnc(-c5cnccn5)nc4)n23)nc1,VZXFBEGAVZLYSV-UHFFFAOYSA-N,3,1,0.325,85,362,417.383,2.962,5,0.43,0.65,1.0,0.2689757384689192,0.2684274552806525,0.5057398396271674,0.47625248440819684,0.37984887944623397
EOS-3-30237,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)nn1,LCXJQKNCDRPCQZ-UHFFFAOYSA-N,3,1,0.57,19,785,446.421,3.246,5,0.392,0.6,1.0,0.7672880542800357,0.6600815571242546,0.5861232951819615,0.5672417928860256,0.6451836748680693
EOS-3-30238,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5cc(Cl)cnn5)n34)c2)o1,ZBVDWOVBVTUPRF-UHFFFAOYSA-N,3,1,0.376,14,351,419.832,3.777,5,0.424,0.7,1.0,0.49928894524021655,0.4997858268795833,0.4319443492563909,0.41027002947022134,0.46032228771160305
EOS-3-30239,CCn1nncc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cn1,BFRBHEQEKDOKBX-UHFFFAOYSA-N,3,1,0.269,94,892,447.466,2.984,6,0.392,0.61,0.954,0.04659550407785621,0.06389212528270852,0.06687341511890892,0.08655164142279487,0.06597817147556713
EOS-3-30240,Fc1cnccc1CCOc1cncc2nnc(-c3c(F)cc(-c4cscn4)cc3F)n12,ZZVBANCJMYPFNK-UHFFFAOYSA-N,3,1,0.548,35,161,454.437,4.349,5,0.38,0.7,1.0,0.8534541840860804,0.8521520115139469,0.8515865944760469,0.8477657460078131,0.8512396340209718
EOS-3-30241,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)nn1,OWHUSGAFFQWNGF-UHFFFAOYSA-N,3,1,0.472,19,348,413.416,3.67,5,0.434,0.76,1.0,0.5580837502570077,0.4997943938044,0.5768538825303269,0.5508875334110068,0.5464048900006854
EOS-3-30242,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(C)(C)O)cc4)n23)c1,MTRTUAITUOFQDJ-UHFFFAOYSA-N,3,1,0.541,36,895,443.471,2.183,5,0.42,0.61,1.0,0.4744448632718799,0.1599359194023713,0.43571379617572475,0.2604002467274347,0.3326237063943527
EOS-3-30243,Cc1ccc(F)c(-c2cnnc(COc3cncc4nnc(-c5cnccn5)n34)c2)n1,PZCSIYVCIVMHSA-UHFFFAOYSA-N,3,1,0.404,7,587,415.392,2.46,5,0.427,0.71,0.995,0.4297683503529573,0.41487046809677197,0.237415187444315,0.2248475087382633,0.3267253786580769
EOS-3-30244,Cn1nc(CCc2cnc(F)c(Cl)c2)nc1-c1cncc2nnc(-c3ccc(CO)cc3)n12,ODAWPQGWFYDAEJ-UHFFFAOYSA-N,3,1,0.322,74,333,464.892,3.052,5,0.385,0.7,0.293,0.2122112946336783,0.35805462271263105,0.2956617092728394,0.4069803303406209,0.3182269892399424
EOS-3-30245,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)nc2C)n1,KMOKXPGWEFYQRK-UHFFFAOYSA-N,3,1,0.385,46,564,447.409,2.907,5,0.401,0.58,0.995,0.7039699129600439,0.5131673634432184,0.33237098211226096,0.3057535467068741,0.4638154513055993
EOS-3-30246,COc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,AJZXBBAEBCFHOW-UHFFFAOYSA-N,3,1,0.462,35,710,444.43,2.808,5,0.35,0.66,1.0,0.7465989308477828,0.6123209512713317,0.34702042354876295,0.2604088136522514,0.49158727983003214
EOS-3-30247,Clc1nccnc1-c1ccc(-c2nnc3cncc(OCc4cnccn4)n23)cc1,OWOXITWVQXDEMP-UHFFFAOYSA-N,3,1,0.494,7,815,416.832,3.271,5,0.43,0.71,1.0,0.7130422863408951,0.7886710986224384,0.41330272085532177,0.42935713796175723,0.5860933109451031
EOS-3-30248,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)cn1,MDOMZRGVDVGOEY-UHFFFAOYSA-N,3,1,0.365,69,695,445.461,5.116,6,0.375,0.79,1.0,0.29068432595435545,0.38179357137961756,0.7885168939757384,0.7969381810705229,0.5644832430950586
EOS-3-30249,Fc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1Oc1ccccc1,SCTAIFOICQHOFU-UHFFFAOYSA-N,3,1,0.671,79,881,427.439,4.739,5,0.374,0.78,1.0,0.9336491672949078,0.912086217531355,0.740148036460832,0.7086131862106778,0.8236241518744432
EOS-3-30250,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)on2)cn1,DVBNFNSSQKDELA-UHFFFAOYSA-N,3,1,0.517,59,89,440.797,4.352,5,0.375,0.76,1.0,0.8733380165855664,0.919719347543006,0.8678037831539991,0.8853402782537181,0.8865503563840724
EOS-3-30251,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2F)cn1,QSVSKNMLJQQDLL-UHFFFAOYSA-N,3,1,0.451,89,398,484.495,3.197,6,0.378,0.85,1.0,0.35060996504694675,0.2226715098348297,0.23407408676581454,0.22812864094304708,0.25887105064765953
EOS-3-30252,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c(Cl)c2)cn1,MONYIVJXYRLBTF-UHFFFAOYSA-N,3,1,0.558,37,265,467.867,4.14,5,0.373,0.72,1.0,0.7579843739291344,0.7801470084298541,0.8705537660201494,0.8662703036118155,0.8187388629977382
EOS-3-30253,Fc1cc(-c2cccc(Cl)n2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,ZNHOPTVBBPKWJY-UHFFFAOYSA-N,3,1,0.562,11,275,446.873,4.662,5,0.353,0.78,1.0,0.9369302994996916,0.9511770954698101,0.7476783633746831,0.7853985333424713,0.8552960729216641
EOS-3-30254,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)nc5)cn4)n23)nc1,APHZHFJDKAPSRC-UHFFFAOYSA-N,3,1,0.429,7,535,431.847,2.974,5,0.387,0.61,1.0,0.540050373517922,0.5887704749503119,0.2519275580837503,0.22813720786786376,0.402221403604962
EOS-3-30255,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cn5)n34)c(F)c2)nn1,YWHAJHVREKMXQF-UHFFFAOYSA-N,3,1,0.291,70,369,463.48,4.158,6,0.387,0.67,0.98,0.13483482968953464,0.23252347337399767,0.48517065314234803,0.4577907614282777,0.3275799294085395
EOS-3-30256,c1ncc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)s2)nn1,DEAXILNZHBCIMC-UHFFFAOYSA-N,3,1,0.362,53,502,456.455,1.859,6,0.39,0.64,0.997,0.3241381673634432,0.3334589815639778,0.017759235144952368,0.017416558152285655,0.17319323555616478
EOS-3-30257,CCc1nc(-c2nnc3cncc(OCc4cn(C)nc4C)n23)ccc1-c1ncccc1F,BUPLTZRIIXIMFJ-UHFFFAOYSA-N,3,1,0.396,31,690,444.474,3.571,5,0.395,0.66,0.973,0.282391542731821,0.2944366390240559,0.16565005825508874,0.13357549174148448,0.21901343293811254
EOS-3-30258,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnn2)c1,PNOBWVLTWRYISF-UHFFFAOYSA-N,3,1,0.544,35,161,431.406,3.543,5,0.406,0.61,1.0,0.7954818038516894,0.7759834829689535,0.7401566033856487,0.7639897882256186,0.7689029196079775
EOS-3-30259,Fc1cncc(-c2cnc(Cc3cncc4nnc(-c5cnc(C6CC6)nc5)n34)cn2)c1,RJWIBXNTUSMNOQ-UHFFFAOYSA-N,3,1,0.287,85,674,425.431,3.041,6,0.423,0.6,1.0,0.3461465972174628,0.37721883352751695,0.06292406277842506,0.15527551230210404,0.2353912514563772
EOS-3-30261,Fc1cccc(-c2ccc(-c3nnc4cncc(Cc5ccc(F)c(Cl)c5)n34)nc2)c1,VZEQGRIZQIHIES-UHFFFAOYSA-N,3,1,0.407,57,358,433.849,5.376,5,0.382,0.86,0.999,0.39182544033993555,0.5731786717839764,0.9630251524912617,0.9790110341991639,0.7267600747035844
EOS-3-30262,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)nn1,SIFKPDZBQLBUNE-UHFFFAOYSA-N,3,1,0.29,76,114,433.439,2.501,6,0.412,0.57,0.76,0.03772873689260503,0.02173428825988623,0.057030018504557606,0.07215064080597629,0.04716092111575629
EOS-3-30263,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6F)n5)n34)cn2)ccn1,YQEPXPVZHMYYQT-UHFFFAOYSA-N,3,1,0.283,10,952,455.392,2.564,6,0.369,0.6,0.912,0.014709409910218628,0.18478000137070796,0.23742375436913166,0.3273593310945103,0.19106812418614214
EOS-3-30265,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncccc5-c5cc[nH]n5)n34)cc2)nn1,WOJRMVMPDAZWJR-UHFFFAOYSA-N,3,1,0.458,40,763,450.466,2.951,6,0.411,0.59,1.0,0.33432424097046126,0.2992855184702899,0.24113323281474883,0.2015626070865602,0.26907639983551507
EOS-3-30266,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)ccn1,GJCGIARVLXFLQH-UHFFFAOYSA-N,3,1,0.478,4,43,448.849,3.74,5,0.387,0.62,1.0,0.6581796998149544,0.5837588239325612,0.5023216366253169,0.504463367829484,0.5621808820505791
EOS-3-30267,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5nccnn5)ncn4)n23)cc1,UXEWGKRGKXPCKN-UHFFFAOYSA-N,3,1,0.447,71,614,464.453,1.808,6,0.355,0.62,1.0,0.42754951682544035,0.21721437872661228,0.07107120827907615,0.06038825303269139,0.19405583921595504
EOS-3-30268,COc1c(Cl)cc(Cl)cc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,OEUKFSFDSLEVOC-UHFFFAOYSA-N,3,1,0.402,63,683,485.331,3.973,5,0.423,0.89,0.997,0.41349119320128846,0.3436022205469125,0.38475772736618463,0.45149407168802685,0.3983363032006031
EOS-3-30269,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4nn(C)cc4Cl)n23)c1,CJQPXRDATGOCLH-UHFFFAOYSA-N,3,1,0.422,65,905,449.906,3.078,5,0.376,0.66,1.0,0.30638749914330754,0.35806318963744777,0.14693989445548625,0.1552840792269207,0.24166866561579056
EOS-3-30270,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)c(F)c1F,AIEQYTWLJDYGJN-UHFFFAOYSA-N,3,1,0.461,13,573,421.342,3.853,5,0.407,0.71,1.0,0.7435833733123158,0.7801555753546707,0.8846891919676513,0.8678808854773491,0.8190772565279968
EOS-3-30271,Cc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)c(F)n1,JEZYHOLNAUIBGA-UHFFFAOYSA-N,3,1,0.529,15,215,427.443,3.712,5,0.382,0.68,1.0,0.7553457610856007,0.7587896648619011,0.6053132067712974,0.5411383729696388,0.6651467514221096
EOS-3-30272,OCc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(Cl)c5)c4)n23)nc1,XYEWFXXBWJCWST-UHFFFAOYSA-N,3,1,0.441,59,348,462.872,4.112,5,0.379,0.74,1.0,0.819477760263176,0.7460249468850662,0.8953378795147694,0.882504626139401,0.8358363032006031
EOS-3-30274,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(C)n5)n34)cnc2F)cn1,TVIZUMUIPOYSME-UHFFFAOYSA-N,3,1,0.478,7,464,428.431,3.373,5,0.393,0.69,1.0,0.5607994654238915,0.5544770749091906,0.3884586388869851,0.28695771365910494,0.44767322321979297
EOS-3-30275,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4csc(-c5cccs5)c4)n23)cc1,HXVCBLKSJBLDTK-UHFFFAOYSA-N,3,1,0.374,52,916,457.584,5.064,6,0.387,0.81,0.999,0.10766911109588102,0.06752450140497566,0.22663799602494689,0.2869662805839216,0.1721994722774313
EOS-3-30276,CCc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)nc3)n12,LZJMKIWTXNSWMC-UHFFFAOYSA-N,3,1,0.333,50,974,417.864,3.26,5,0.442,0.72,0.686,0.1237492289767665,0.18913199917757523,0.14119148790350217,0.18502844219039133,0.1597752895620588
EOS-3-30277,CCn1cnnc1-c1cncc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)c1,WZVVDRREJNSTOD-UHFFFAOYSA-N,3,1,0.568,13,995,436.838,4.05,5,0.41,0.66,1.0,0.527439860187787,0.5837673908573778,0.55023644712494,0.6164073744088822,0.5694627681447468
EOS-3-30278,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cc2)n[nH]1,FEQOQOICFLCEBV-UHFFFAOYSA-N,3,1,0.311,38,154,422.477,4.367,6,0.453,0.7,1.0,0.10767767802069769,0.14840483859913645,0.4851792200671647,0.4975412925776163,0.3097007573161538
EOS-3-30279,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(Cl)cn3)n12,IGPVKINFLZKDPO-UHFFFAOYSA-N,3,1,0.33,22,311,424.255,3.351,5,0.41,0.63,1.0,0.11570488657391542,0.24813241038996642,0.12614796792543348,0.34651497498457956,0.20912505996847372
EOS-3-30280,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C)c4F)n23)cn1,GETFDSBRBHMIRL-UHFFFAOYSA-N,3,1,0.483,59,109,444.445,4.722,5,0.39,0.77,1.0,0.82478925364951,0.7801641422794874,0.8369971215132616,0.7639983551504352,0.8014872181481735
EOS-3-30281,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)nc1)N1CCCC1,BIDLIJOVGDJDAG-UHFFFAOYSA-N,3,1,0.372,52,821,482.935,4.2,6,0.378,0.87,0.965,0.12375779590158317,0.11630457131108217,0.016122952504968816,0.10884277979576451,0.09125702487834966
EOS-3-30282,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ncn2)ccn1,OTCFWQLIPBBCAM-UHFFFAOYSA-N,3,1,0.541,44,488,451.824,4.154,5,0.371,0.7,0.983,0.8441847714344459,0.7845418408608046,0.8903861969707354,0.8975995476663697,0.8541780892330888
EOS-3-30283,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)cc(Cl)n4)n23)nc1,COYHZZFMGWIANL-UHFFFAOYSA-N,3,1,0.436,46,267,451.824,4.154,5,0.371,0.7,1.0,0.7255242957987801,0.7930230964293057,0.8136522513878418,0.8344441779178946,0.7916609553834556
EOS-3-30285,COc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ncc(Cl)cn1,JDTOOOHVMPEAHE-UHFFFAOYSA-N,3,1,0.647,15,467,459.897,3.927,5,0.361,0.68,1.0,0.8865739154273182,0.780172709204304,0.4067490233705709,0.34989034336234665,0.605846497841135
EOS-3-30286,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(F)c6)n5)n34)cn2)ccn1,UMQBTVKOPGEPSU-UHFFFAOYSA-N,3,1,0.318,10,705,449.453,3.944,6,0.402,0.62,1.0,0.026574600781303543,0.1935782331574258,0.47457336714412995,0.4913302720855322,0.2965141182920979
EOS-3-30287,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cnn2)nn1,BFPOJJBAYFUZGU-UHFFFAOYSA-N,3,1,0.43,53,778,433.382,2.599,5,0.412,0.57,1.0,0.6551898430539373,0.5638321568089918,0.4816839147419642,0.4546467000205606,0.5388381536563634
EOS-3-30289,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cn2)no1,BFLKTIYHKWPMJE-UHFFFAOYSA-N,3,1,0.533,65,981,418.392,2.7,5,0.41,0.75,1.0,0.6344236172983346,0.6307826742512508,0.19858988417517648,0.19050270714824208,0.413574720718251
EOS-3-30290,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ncn2)cn1,WZQIYHPBSIEAKW-UHFFFAOYSA-N,3,1,0.373,31,113,446.862,2.412,5,0.383,0.61,0.653,0.5863289013775616,0.5360239188540882,0.0797580700431773,0.09230004797477898,0.3236027345624015
EOS-3-30291,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)s2)cn1,OPAZLMUTYWDMJV-UHFFFAOYSA-N,3,1,0.292,86,812,424.453,3.157,6,0.458,0.62,0.997,0.06333527516962512,0.17648721814817353,0.1501267904872867,0.16588993214995545,0.13895980398876018
EOS-3-30292,Cc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)c1,XJMHKLXRMVVPLO-UHFFFAOYSA-N,3,1,0.41,19,207,445.433,3.851,5,0.392,0.62,1.0,0.620279624426016,0.55010794325269,0.6410801178808855,0.6540932766774039,0.616390240559249
EOS-3-30293,Cc1ccc(-c2nnc3cncc(-c4c(OCc5cc(F)c(C)cn5)cnn4C)n23)cn1,MMEYHBFFLRNVBM-UHFFFAOYSA-N,3,1,0.337,82,974,430.447,3.317,5,0.422,0.64,0.937,0.3241467342882599,0.410175793297238,0.377527242820917,0.2902131450894387,0.35051572887396343
EOS-3-30294,O=C(O)c1ccc(-c2nnc3cncc(OCc4cc(-c5c(F)ccnc5F)ncn4)n23)nc1,RPFHGDNJBCRKGM-UHFFFAOYSA-N,3,1,0.375,46,128,462.376,2.594,5,0.374,0.64,0.995,0.427558083750257,0.10742067027619766,0.4396203138921253,0.3337416900829278,0.32708518950037696
EOS-3-30295,O=c1[nH]cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1-c1ccccn1,ZRIUEDOYLGFTLV-UHFFFAOYSA-N,3,1,0.505,35,161,445.87,3.212,5,0.427,0.61,1.0,0.4668717017339456,0.34361078747172913,0.5167397710917689,0.5607137961757248,0.47198401411829216
EOS-3-30296,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)ncn2)c1,ROYNNMHASHPXMV-UHFFFAOYSA-N,3,1,0.516,44,130,464.863,4.801,5,0.359,0.79,1.0,0.8553817421698308,0.8809026111986841,0.895346446439586,0.9235915975601399,0.8888055993420603
EOS-3-30299,Cn1cc(-c2cn(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)nn2)cn1,FUFZUYKYLJGUMD-UHFFFAOYSA-N,3,1,0.453,86,899,439.418,2.369,6,0.384,0.61,1.0,0.0017990542115002399,0.11973990816256597,0.28111507093413746,0.29316016722637245,0.17395355013364402
EOS-3-30300,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,VBYYREDQDOZPTF-UHFFFAOYSA-N,3,1,0.34,51,643,434.851,2.487,5,0.396,0.61,0.918,0.32415530121307656,0.27354190939620315,0.09891371393324652,0.11364882461791516,0.20256493729011035
EOS-3-30301,COc1ncc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1-c1cncc(F)c1,RDLSERSPEIFBAX-UHFFFAOYSA-N,3,1,0.593,84,657,460.444,4.157,5,0.36,0.75,1.0,0.827470701117127,0.7546861078747172,0.7885254609005551,0.7299705297786306,0.7751631999177574
EOS-3-30302,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccc2F)cn1,GEEBSUDMILQMMZ-UHFFFAOYSA-N,3,1,0.541,4,71,447.861,4.323,5,0.396,0.67,1.0,0.7672966212048523,0.8521605784387636,0.7401651703104654,0.7354961962853814,0.7737796415598657
EOS-3-30303,Clc1cnc(COc2cncc3nnc(-c4cccnc4-c4ccnc(Cl)c4)n23)nc1,PCKZBKQAOPIWFQ-UHFFFAOYSA-N,3,1,0.433,51,196,451.277,3.924,5,0.371,0.7,0.842,0.5374888629977383,0.6216246316222329,0.43962888081694196,0.5476492358303063,0.5365979028168049
EOS-3-30304,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(F)ccc5F)cn4)n23)c(F)c1,HWUBHIJVKXBHLJ-UHFFFAOYSA-N,3,1,0.53,34,146,452.371,4.384,5,0.368,0.73,1.0,0.8773302035501337,0.9392519361250086,0.9444349256390926,0.952702008087177,0.928429768350353
EOS-3-30305,CCc1cc(F)c(Cc2cncc3nnc(-c4ccc(-c5nnc(C)o5)nc4)n23)nn1,KURBLBUOOGRERE-UHFFFAOYSA-N,3,1,0.344,85,60,417.408,2.627,5,0.425,0.67,0.987,0.25829278322253446,0.3625094236172983,0.039973271194571995,0.04514769378383935,0.176480792954561
EOS-3-30306,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cc1,VLQNTYXWQSBAIG-UHFFFAOYSA-N,3,1,0.357,69,553,416.448,4.305,6,0.46,0.76,1.0,0.15405044205332055,0.14101158248235213,0.509492152696868,0.547657802755123,0.3380529949969159
EOS-3-30307,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ncccn1,BXMWRSIMWCFRQH-UHFFFAOYSA-N,3,1,0.409,46,896,446.858,3.279,5,0.387,0.61,0.961,0.7553543280104174,0.5596172297991913,0.2734905078473031,0.24272668083064902,0.4577971866218902
EOS-3-30308,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccs5)cn4)n23)cn1,HQJYHICVONWUJM-UHFFFAOYSA-N,3,1,0.371,6,318,453.491,3.898,6,0.387,0.7,1.0,0.41131519429785485,0.30424576793914054,0.17869748475087383,0.13561441984785141,0.25746821670893016
EOS-3-30309,CCn1c(-c2cn(C)nc2C)nnc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nn3)n12,VLCAYGOYFLHQLD-UHFFFAOYSA-N,3,1,0.25,99,754,464.497,2.631,6,0.378,0.65,0.423,0.022034130628469605,0.008078610102117743,0.009723459666917964,0.011171269960934822,0.012751867589610033
EOS-3-30310,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5F)n34)n2)c1,NQWJBEUMPNYRHW-UHFFFAOYSA-N,3,1,0.279,39,144,472.394,3.308,6,0.384,0.65,0.975,0.04969673086148996,0.23253204029881433,0.40675759029538755,0.5891131519429785,0.3195248783496676
EOS-3-30311,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cc(-c4ccncc4)cnn3)n12,SYHHFGSRHDGCMS-UHFFFAOYSA-N,3,1,0.396,2,511,434.822,3.41,5,0.414,0.59,1.0,0.6461688712219862,0.5837759577821945,0.6936125008566925,0.7299790967034473,0.66338410664108
EOS-3-30312,Fc1cc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ccccn5)c4)n23)ccn1,NDUZCAZREDKWMG-UHFFFAOYSA-N,3,1,0.536,58,578,447.861,4.057,5,0.362,0.69,1.0,0.892048180385169,0.8862912069083682,0.6498183811938867,0.6685285449934891,0.7741715783702282
EOS-3-30313,Fc1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cn1,XVJIAHHFKXZLIL-UHFFFAOYSA-N,3,1,0.456,18,529,447.861,4.057,5,0.362,0.69,1.0,0.8575834418477143,0.855218970598314,0.7117401137687616,0.7432578301692825,0.791950089096018
EOS-3-30315,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(C)c5F)n4)n23)cn1,ZKOHEYNUNDMREG-UHFFFAOYSA-N,3,1,0.467,7,85,428.431,3.373,5,0.42,0.61,1.0,0.6287865807689672,0.6259166609553835,0.4171578370228223,0.3210626413542595,0.4982309300253581
EOS-3-30316,Cn1cc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ncc(Cl)cn5)n34)n2)cn1,GCFJBCRVRLMBMO-UHFFFAOYSA-N,3,1,0.262,86,588,467.884,3.154,6,0.384,0.65,1.0,0.07115687752724283,0.14466109245425263,0.09892228085806319,0.15529264615173738,0.117508224247824
EOS-3-30317,Cc1ncc(-c2ncc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)o1,BHNIXWSRFGWVHR-UHFFFAOYSA-N,3,1,0.452,51,48,421.808,2.567,5,0.417,0.64,1.0,0.60054999657323,0.5360324857789048,0.0754746076348434,0.08139435268316085,0.3233628606675348
EOS-3-30318,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)cnc4C)n23)nc1,BCVZDVNXFSKYPU-UHFFFAOYSA-N,3,1,0.404,33,168,426.484,3.486,5,0.424,0.63,1.0,0.4003837982317867,0.1719981495442396,0.22664656294976354,0.11598759509286546,0.22875402645466386
EOS-3-30319,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)cc5)n34)cn2)n1,SETCDYAOBCIEOZ-UHFFFAOYSA-N,3,1,0.337,3,150,451.881,4.149,6,0.371,0.67,1.0,0.017305188129668973,0.15627784250565416,0.6053217736961141,0.6628401069152217,0.36043622781166473
EOS-3-30321,Cc1nc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)[nH]c1F,HADIMVZPTSTMPM-UHFFFAOYSA-N,3,1,0.438,13,995,439.813,4.609,5,0.439,0.71,1.0,0.6177266808306491,0.6942635871427593,0.841734630936879,0.8531457747926804,0.7517176684257418
EOS-3-30322,Cc1nc(-c2ccc(F)cn2)c(-c2nnc3cncc(OCc4cncs4)n23)cc1F,BTYMFUMNFSTKLR-UHFFFAOYSA-N,3,1,0.461,55,772,437.435,3.87,5,0.412,0.64,1.0,0.7524330066479337,0.6993694743334933,0.45394421218559383,0.4577993283530944,0.5908865053800288
EOS-3-30323,Fc1ncccc1-c1cnc(COc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)cn1,PHFKYHOEVGNVHK-UHFFFAOYSA-N,3,1,0.452,46,128,450.384,3.694,5,0.361,0.7,0.978,0.6404033308203687,0.6746110616133233,0.7823058734836543,0.7219690219998629,0.7048223219793023
EOS-3-30324,c1ccc(-c2noc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)cc1,QZWXSPDAMCCMTI-UHFFFAOYSA-N,3,1,0.362,30,203,418.42,3.965,6,0.423,0.76,1.0,0.1428791720923857,0.12328661503666644,0.19859845109999313,0.28697484750873825,0.18793477143444587
EOS-3-30325,c1cnnc(-c2ccnc(-c3nnc4cncc(OCc5nccc(C6CC6)n5)n34)c2)c1,HUUGHVGSJXBISM-UHFFFAOYSA-N,3,1,0.396,18,88,423.44,2.89,6,0.406,0.64,1.0,0.3168477143444589,0.20745665136042765,0.042937427181139055,0.08140291960797752,0.16216117812350078
EOS-3-30326,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)n2)cc1,DWWDOUIBIPRCKY-UHFFFAOYSA-N,3,1,0.298,76,871,422.477,4.163,6,0.424,0.71,0.789,0.0003341100678500445,0.0032040298814337603,0.16905969433212253,0.2427352477554657,0.103833270509218
EOS-3-30327,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4ccccn4)c3)n12,YPIGXPHKFRTZAX-UHFFFAOYSA-N,3,1,0.472,97,666,432.846,4.62,5,0.377,0.75,1.0,0.8512096497841135,0.8283787951476937,0.8589969844424645,0.8662788705366322,0.851216074977726
EOS-3-30328,Clc1cccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)n1,RFOHDKKIWGKXMB-UHFFFAOYSA-N,3,1,0.296,70,957,453.853,4.014,6,0.364,0.71,0.999,0.1676632855870057,0.2632787334658351,0.26597731478308545,0.37903502158865054,0.2689885888561442
EOS-3-30329,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(C(F)(F)F)nc5)c4)n23)cn1,NFSFZSAAVHYQIW-UHFFFAOYSA-N,3,1,0.511,27,988,463.423,4.55,5,0.378,0.73,1.0,0.8666301144541155,0.8246436159276266,0.9085480775820711,0.7690185730930026,0.842210095264204
EOS-3-30330,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1nccs1,BFUCAWZXLNPZTC-UHFFFAOYSA-N,3,1,0.521,35,777,448.483,4.079,5,0.371,0.7,1.0,0.8553903090946474,0.7675964635734357,0.5400418065931053,0.4357823315742581,0.6497027277088616
EOS-3-30331,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)c2)nn1,BHYQKKVBMGJSKZ-UHFFFAOYSA-N,3,1,0.273,70,719,439.468,2.562,6,0.407,0.58,0.991,0.020072304845452676,0.052189705983140294,0.09893084778287986,0.11119868412034815,0.07059788568295525
EOS-3-30332,CCc1ncc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cn1,HCVVSDHSPGDIRH-UHFFFAOYSA-N,3,1,0.291,42,725,447.462,3.923,6,0.387,0.66,0.97,0.15138612843533686,0.11974847508738264,0.18519978068672469,0.18774415735727504,0.1610196353916798
EOS-3-30333,Fc1cnnc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)c1,IKVYZMXBTUZUQI-UHFFFAOYSA-N,3,1,0.655,1,996,465.395,3.963,5,0.356,0.69,1.0,0.8038174216983072,0.909995887876088,0.8530258378452471,0.8121873072441916,0.8447566136659584
EOS-3-30334,Fc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)nc2F)nc1,RBAANXLTWFMWLH-UHFFFAOYSA-N,3,1,0.4,13,971,455.787,4.506,5,0.368,0.71,1.0,0.7813977794530875,0.8318483996984443,0.844878692344596,0.8825131930642177,0.8351595161400864
EOS-3-30335,Cc1cnnc(-c2cc(F)nc(-c3nnc4cncc(OCc5cc(C)n(C)n5)n34)c2)n1,KAKKAQNLOMMWDS-UHFFFAOYSA-N,3,1,0.389,31,105,432.423,2.107,5,0.384,0.63,0.917,0.2663885271742855,0.25299842368583375,0.06486875471180865,0.04380268658762251,0.1570145980398876
EOS-3-30336,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)nc2C)nc(C)n1,UOXWRMYKUNZLDG-UHFFFAOYSA-N,3,1,0.455,31,690,430.497,3.604,5,0.417,0.63,1.0,0.355193269823864,0.18068501130834075,0.08470975258721129,0.047769172777739705,0.16708930162428892
EOS-3-30337,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)cn1,FIURBCOVJLJXHE-UHFFFAOYSA-N,3,1,0.608,13,573,434.381,4.766,5,0.406,0.71,1.0,0.8886128435336852,0.8614128572407649,0.9438866424508259,0.9324497978205744,0.9065905352614625
EOS-3-30338,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cncnn6)cs5)n34)cc2)nc1,RHXPFEJARGBUGC-UHFFFAOYSA-N,3,1,0.365,38,865,454.454,3.363,6,0.395,0.61,1.0,0.19553149201562606,0.3093430882050579,0.2056918648481941,0.257530326913851,0.24202419299568229
EOS-3-30339,c1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnn6)s5)n34)nc2)ccn1,IIVLBRCPUMVCSE-UHFFFAOYSA-N,3,1,0.259,70,957,436.464,3.224,6,0.41,0.61,1.0,0.04082139675142211,0.05991707216777466,0.1532365841957371,0.1986669864985265,0.11316050990336508
EOS-3-30340,COC(=O)c1ccnc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)c1,CQDJLMDMFIRVBY-UHFFFAOYSA-N,3,1,0.394,44,692,474.427,3.892,5,0.342,0.79,0.996,0.5505277225687067,0.28903090946473853,0.752373038174217,0.6370108285929683,0.5572356247001576
EOS-3-30341,Fc1ncccc1-c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)cn1,BDYKWKBQWUHTFQ-UHFFFAOYSA-N,3,1,0.38,85,476,434.385,3.706,5,0.389,0.62,1.0,0.38749914330751833,0.4680967719827291,0.7247104379411966,0.6918305804948256,0.5680342334315674
EOS-3-30342,Clc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)cn1,QCBJADWQIMGPQZ-UHFFFAOYSA-N,3,1,0.355,42,136,463.892,4.421,6,0.353,0.73,1.0,0.2767716400520869,0.4008892467959701,0.5095007196216846,0.5891217188677952,0.4440708313343842
EOS-3-30343,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2C)n1,OFDWMKDFGOSCJS-UHFFFAOYSA-N,3,1,0.404,95,477,446.902,3.565,5,0.368,0.71,0.998,0.38972654375985194,0.3580717565622644,0.18183297923377426,0.20157117401137686,0.2828006133918169
EOS-3-30344,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)s4)n23)cn1,TYZXWYHMYVNLDK-UHFFFAOYSA-N,3,1,0.298,76,812,439.508,3.716,6,0.416,0.66,0.922,0.04230347474470564,0.08838496333356179,0.1722894249880063,0.15004968816393668,0.11325688780755261
EOS-3-30345,Fc1cc(-c2cc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)ncn2)ccn1,LEBRBUAIWDGHNJ-UHFFFAOYSA-N,3,1,0.333,45,140,421.798,4.242,5,0.405,0.74,1.0,0.31165615790555823,0.5131759303680351,0.890394763895552,0.9236001644849565,0.6597067541635255
EOS-3-30346,Cc1nnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)s1,NJSZXQHUUOVHLJ-UHFFFAOYSA-N,3,1,0.477,36,534,450.915,3.949,5,0.396,0.67,1.0,0.45062881228154344,0.7414330751833322,0.24458570351586595,0.2843019669659379,0.43023738948666984
EOS-3-30348,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c(C)n1,UAUZWUJPWCYISF-UHFFFAOYSA-N,3,1,0.523,4,786,443.898,4.493,5,0.395,0.71,0.989,0.5893701596874786,0.645372147214036,0.40995305325200465,0.39470392707833596,0.5098498218079638
EOS-3-30349,Cc1cncc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)cc4)n23)n1,DJSZWWIRIZGCLA-UHFFFAOYSA-N,3,1,0.268,38,725,446.478,3.712,6,0.435,0.59,1.0,0.10537317524501405,0.09133198547049551,0.1818415461585909,0.1658984990747721,0.13611130148721814
EOS-3-30350,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)c2)cn1,QUOYUGYGWUEZQE-UHFFFAOYSA-N,3,1,0.295,42,174,430.475,4.316,6,0.414,0.65,1.0,0.0711654444520595,0.041352546090055516,0.6378503872250018,0.6104447947364814,0.34020329312589953
EOS-3-30351,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ccncc6)n5)n34)cc2)cc1,OYFSPJUKZXWUOQ-UHFFFAOYSA-N,3,1,0.373,93,651,427.471,4.977,6,0.395,0.8,1.0,0.1984528133781098,0.14841340552395313,0.6287180453704339,0.6655986567061888,0.41029573024467136
EOS-3-30352,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)ncn1,DQXDCFSUQBZHDA-UHFFFAOYSA-N,3,1,0.452,2,422,448.849,3.718,5,0.4,0.63,1.0,0.6491844287574532,0.6600901240490713,0.6690254266328559,0.6398636145569186,0.6545408984990747
EOS-3-30353,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)s1,RYQZVPBLTKZNRR-UHFFFAOYSA-N,3,1,0.303,38,865,438.48,3.465,6,0.444,0.59,1.0,0.09071516688369542,0.13724213556301829,0.0870742238366116,0.10030155575354671,0.103833270509218
EOS-3-30354,Fc1cc(-c2nnc3cncc(CCc4ccc(-c5nccnn5)s4)n23)ccc1Cl,GVBAUVBZGVWQPI-UHFFFAOYSA-N,3,1,0.396,85,580,437.891,4.283,5,0.408,0.64,1.0,0.4205332054005894,0.6358628606675348,0.4607977520389281,0.610453361661298,0.5319117949420876
EOS-3-30355,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)[nH]c1F,JSPANKBKJFOWGO-UHFFFAOYSA-N,3,1,0.51,65,904,434.41,3.18,5,0.437,0.63,1.0,0.655198409978754,0.67461962853814,0.4918185868000822,0.44839284490439313,0.5675073675553424
EOS-3-30356,O=C(c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)nc1)N1CCC(F)CC1,NJYRVEYCGVXYBF-UHFFFAOYSA-N,3,1,0.32,63,345,485.445,3.765,5,0.409,0.82,0.764,0.16226612295250498,0.18478856829552465,0.2992512507710232,0.42621307655404017,0.26812975464327327
EOS-3-30357,Fc1ccc(Cc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1Cl,CARWYHGXABZNPP-UHFFFAOYSA-N,3,1,0.415,14,358,451.292,5.285,5,0.372,0.84,1.0,0.4867212665341649,0.6895003769446919,0.9335292303474745,0.9590672332259612,0.7672045267630732
EOS-3-30358,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)cc1,YAFXSQHVDPRELK-UHFFFAOYSA-N,3,1,0.303,98,618,422.416,1.624,6,0.416,0.62,1.0,0.0032040298814337603,0.016354259475018847,0.034558974710437944,0.03757453224590501,0.02292294907819889
EOS-3-30359,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)n2)n(C)n1,KDMSIRROMFJYTC-UHFFFAOYSA-N,3,1,0.317,98,746,449.482,2.753,6,0.403,0.58,1.0,0.06513432938112534,0.04498492221232266,0.05135871427592351,0.049285518470289905,0.05269087108491535
EOS-3-30360,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)s1,NWDIJRGWHCMSPK-UHFFFAOYSA-N,3,1,0.295,99,356,457.458,2.701,6,0.393,0.59,0.973,0.09072373380851209,0.232540607223631,0.05532520046604071,0.13358405866630113,0.12804340004112125
EOS-3-30361,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)ccn2)cn1,KJKCVZXZKPKUHS-UHFFFAOYSA-N,3,1,0.54,75,530,444.886,3.622,5,0.391,0.6,1.0,0.7193132753066959,0.7042526214789939,0.4099616201768213,0.41352546090055514,0.5617632444657665
EOS-3-30362,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c2)n1C,BDAXLSZUZVFHLW-UHFFFAOYSA-N,3,1,0.585,36,506,416.42,3.008,5,0.435,0.7,1.0,0.3736721266534165,0.3818021383044342,0.2374323212939483,0.2398310602426153,0.3081844116236036
EOS-3-30363,Cc1cncc(-c2cccc(COc3cncc4nnc(-c5ccccc5F)n34)n2)c1F,SJSOSZRNPROIPJ-UHFFFAOYSA-N,3,1,0.506,59,436,430.418,4.414,5,0.411,0.7,1.0,0.710052429579878,0.7042611884038106,0.8074240970461243,0.7877116030429717,0.7523623295181961
EOS-3-30364,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)cn2)cn1,LNKAPBGSNVBVMW-UHFFFAOYSA-N,3,1,0.342,69,57,435.422,4.709,6,0.37,0.79,1.0,0.2583013501473511,0.32437804125830993,0.7753066959084367,0.7640069220752519,0.5304982523473374
EOS-3-30365,Cc1cc(-c2nnc3cncc(OCc4ccc(C#N)cc4F)n23)cc(-c2cncs2)n1,ZXSUUSHLVSXYDM-UHFFFAOYSA-N,3,1,0.494,89,214,443.467,4.208,5,0.401,0.73,1.0,0.737312384346515,0.6746281954629566,0.7753152628332534,0.7219775889246796,0.7273083578918511
EOS-3-30366,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccn1,MJWXOVFCIYBQAC-UHFFFAOYSA-N,3,1,0.462,55,624,432.875,3.697,5,0.403,0.63,1.0,0.49929751216503326,0.4462168460009595,0.4357223631005414,0.4198649852648893,0.45027542663285586
EOS-3-30367,Fc1ccc(-c2nnccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,QZXCLQBQHKMDCE-UHFFFAOYSA-N,3,1,0.429,45,102,420.81,4.847,5,0.417,0.78,1.0,0.4434925639092591,0.8318569666232609,0.9457542320608594,0.9709324240970462,0.7980090466726064
EOS-3-30368,Cn1ccnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,PEXZUUZHHQXDDF-UHFFFAOYSA-N,3,1,0.615,16,256,417.86,3.819,5,0.432,0.7,1.0,0.8990473579603866,0.8246521828524432,0.6020749091905969,0.6104619285861147,0.7340590946473854
EOS-3-30369,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)cc1F,OTPJRIWRJAAVHX-UHFFFAOYSA-N,3,1,0.5,73,980,452.4,3.461,5,0.389,0.62,1.0,0.5803920224796107,0.5785844013432938,0.5988965800836132,0.6136402576930985,0.5928783153999041
EOS-3-30370,Cc1cnc(-c2cc(F)c(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)cn1,KRORKCHMXHVTQV-UHFFFAOYSA-N,3,1,0.462,65,658,429.419,2.502,5,0.401,0.59,1.0,0.6829209786854911,0.669873552189706,0.1917706120211089,0.17131279555890616,0.428969484613803
EOS-3-30371,Cc1ccc(-c2nnc3cncc(OCc4csc(-c5cccc(Cl)c5)n4)n23)cn1,FRYILEHQSFERPK-UHFFFAOYSA-N,3,1,0.548,1,92,434.912,4.851,5,0.393,0.83,1.0,0.5192841477623192,0.7274518538825303,0.4987149612774998,0.5277825371804538,0.5683083750257008
EOS-3-30372,COc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)n1,AYZZWYQPWXYURP-UHFFFAOYSA-N,3,1,0.5,20,353,446.446,2.751,5,0.376,0.63,1.0,0.6978359947913098,0.6554896854225207,0.2659858817079021,0.19051127407305873,0.45245570899869786
EOS-3-30373,Cc1nccc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)c(F)c2)n1,UJNFOFOXONYUNE-UHFFFAOYSA-N,3,1,0.477,16,256,419.445,3.731,5,0.429,0.73,1.0,0.7524415735727503,0.7414416421081489,0.45727674593927764,0.40080357754780344,0.5879908847919951
EOS-3-30374,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cccc(F)n1,TXTFVAMDYVEZNX-UHFFFAOYSA-N,3,1,0.427,95,493,450.865,3.396,5,0.366,0.68,1.0,0.5141953944212185,0.4329895140840244,0.39209958193406896,0.45780789527791105,0.44927309642930574
EOS-3-30375,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4F)n23)cn1,AXUUEFXRMYLLKI-UHFFFAOYSA-N,3,1,0.273,39,972,468.431,3.384,6,0.387,0.63,0.95,0.18728154341717498,0.18914056610239188,0.3657648550476321,0.43859228291412516,0.29519481187033103
EOS-3-30376,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nc(C)n2)nn1,KPUJULIGUWXHNL-UHFFFAOYSA-N,3,1,0.383,31,851,426.444,2.067,5,0.398,0.6,0.899,0.42054177232540607,0.16391953944212184,0.02964155986567062,0.019181344664519224,0.15832105407442945
EOS-3-30377,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)n6)n5C)n34)nc2)ccn1,DIKCIMYJKSFEIA-UHFFFAOYSA-N,3,1,0.301,8,934,464.468,3.553,6,0.364,0.68,0.995,0.09530703858542937,0.18069357823315743,0.17229799191282297,0.22485607566307997,0.16828867109862244
EOS-3-30378,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)cc5Cl)n34)ncn2)c1,YQCYMBIFIYEKIY-UHFFFAOYSA-N,3,1,0.394,18,481,462.876,3.761,5,0.375,0.67,0.767,0.6316050990336509,0.602537523130697,0.42474813241038994,0.4702556370365294,0.5322865979028168
EOS-3-30379,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nc2)no1,ULVLUZKFBMBFHM-UHFFFAOYSA-N,3,1,0.321,32,191,424.449,4.027,6,0.417,0.69,1.0,0.12376636282639984,0.152337057089987,0.3138064560345418,0.32107120827907615,0.2277452710575012
EOS-3-30380,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)nn5)n34)nc2)c1,PMWMWOBSPOCVNU-UHFFFAOYSA-N,3,1,0.256,86,652,423.4,2.094,6,0.414,0.63,0.616,0.12088787608799945,0.05593345212802413,0.07107977520389282,0.07215920773079296,0.08001507778767733
EOS-3-30381,COc1ncc(F)cc1-c1cc(-c2nnc3cncc(Oc4ncccc4Cl)n23)ncn1,KQYQGVUVSXACDJ-UHFFFAOYSA-N,3,1,0.333,46,971,450.821,3.632,5,0.396,0.61,0.996,0.658188266739771,0.5731872387087931,0.4396374477417586,0.40373346583510383,0.5186866047563566
EOS-3-30382,Clc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)ccn2)nc1,JOCCRRVXQCAMGL-UHFFFAOYSA-N,3,1,0.483,73,420,452.265,3.319,5,0.396,0.58,1.0,0.52475841272017,0.5980141868274964,0.3213453498732095,0.42936570488657394,0.4683709135768625
EOS-3-30383,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(C)n5)n34)c2)nc1,OVHDQXMHXCHTHW-UHFFFAOYSA-N,3,1,0.438,87,858,424.468,3.277,5,0.409,0.66,1.0,0.5694349256390926,0.33840209718319514,0.20922143787266123,0.14518367486806935,0.31556053389075456
EOS-3-30384,Cc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ccc(F)nc1,ZNVJNKUTAXBSAJ-UHFFFAOYSA-N,3,1,0.406,18,658,428.431,3.107,5,0.38,0.64,1.0,0.6316136659584676,0.5980227537523131,0.32855013364402713,0.2931687341511891,0.46283882187649916
EOS-3-30385,Cc1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nc2)s1,ALBRXARCYHUNPG-UHFFFAOYSA-N,3,1,0.534,51,69,471.428,3.401,5,0.38,0.69,1.0,0.6344321842231513,0.6942721540675759,0.5266174354053869,0.35609279692961415,0.552853642656432
EOS-3-30386,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5nccc(F)c5F)n34)ccn2)cc1=O,WBNIBZGOVRPKGS-UHFFFAOYSA-N,3,1,0.462,24,486,448.393,2.199,5,0.402,0.58,0.996,0.4693646768555959,0.34834829689534647,0.4712151326159962,0.4386008498389418,0.43188223905147005
EOS-3-30387,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,PROYBJZUFVPTCB-UHFFFAOYSA-N,3,1,0.432,2,905,432.875,3.697,5,0.403,0.65,1.0,0.47941367966554727,0.45039750531149336,0.495202522102666,0.4733911315194298,0.47460120964978414
EOS-3-30388,FC(F)c1ncc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)s1,VIWNPGKMOINPHE-UHFFFAOYSA-N,3,1,0.512,55,430,437.435,4.221,5,0.393,0.69,1.0,0.5747806867246933,0.5980313206771297,0.560011308340758,0.47339969844424645,0.5515557535467069
EOS-3-30389,CCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ccn2)ccn1,SUVNTDQJECSPSJ-UHFFFAOYSA-N,3,1,0.68,11,159,422.492,4.432,5,0.386,0.76,1.0,0.6522256870673703,0.40553252004660406,0.4886573915427318,0.41987355218970596,0.491572287711603
EOS-3-30390,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)ccn2)cc1=O,DYSQNBQMYPBIQC-UHFFFAOYSA-N,3,1,0.446,24,486,448.393,2.199,5,0.376,0.62,1.0,0.5952213693372627,0.362517990542115,0.4987235282023165,0.4386094167637585,0.47376807621136313
EOS-3-30391,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5nnc(CO)s5)cc4F)n23)n1,XNAPTLAGJMFYMK-UHFFFAOYSA-N,3,1,0.446,36,404,438.448,2.254,5,0.429,0.61,1.0,0.45975258721129464,0.5638407237338086,0.14694846138030293,0.13562298677266807,0.32654118977451857
EOS-3-30392,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)cc1=O,LFMXRUIDYFHHCJ-UHFFFAOYSA-N,3,1,0.49,65,393,460.885,2.617,5,0.355,0.7,1.0,0.4993060790898499,0.48568466863134807,0.3775358097457337,0.3790435885134672,0.4353925364950997
EOS-3-30393,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4Cl)n23)cn1,LQVUEFRAGUQHGJ-UHFFFAOYSA-N,3,1,0.518,20,325,455.265,3.56,5,0.379,0.67,1.0,0.6889349599067919,0.7135648687547118,0.3695771365910493,0.47026420396134605,0.5605852923034746
EOS-3-30394,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)c1-c1ccccc1,JOBAPPDPCYIRMQ-UHFFFAOYSA-N,3,1,0.333,9,625,418.464,4.249,6,0.462,0.72,1.0,0.051273045027756835,0.03766876841888835,0.4780172709204304,0.5008738263313001,0.2669582276745939
EOS-3-30395,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cocn6)cc5)n34)cn2)c(F)c1,HYGOWCVNGAVRHT-UHFFFAOYSA-N,3,1,0.333,69,885,453.412,4.849,6,0.377,0.72,1.0,0.3063960660681242,0.4101843602220547,0.8282502912754438,0.8563412377492975,0.6002929888287301
EOS-3-30396,Cc1cnnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccc6C)nc5)n34)c2)n1,GGGSJOJABFSIFJ-UHFFFAOYSA-N,3,1,0.296,32,727,457.501,4.384,6,0.384,0.68,1.0,0.13227331916935098,0.10397676649989719,0.29567027619765607,0.28120930710712083,0.20328241724350626
EOS-3-30397,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)c1,BAIKZOGSCNPJNY-UHFFFAOYSA-N,3,1,0.444,44,692,416.391,4.106,5,0.429,0.75,1.0,0.6709015831677061,0.5785929682681105,0.8480912891508464,0.8496590363922967,0.7368112192447399
EOS-3-30398,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cn(C)nc5C)c4)n23)ccc1Cl,HMSGSHCABQPERZ-UHFFFAOYSA-N,3,1,0.518,16,256,445.914,4.436,5,0.398,0.74,1.0,0.4597611541361113,0.5684839969844425,0.6718439448975396,0.6011068466863135,0.5752989856761018
EOS-3-30399,FCc1cc(-c2cnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)ccn1,QMMQBNQQGUNJCU-UHFFFAOYSA-N,3,1,0.448,18,720,462.876,3.783,5,0.36,0.66,0.996,0.6859451031457748,0.6649304365704887,0.42087588239325613,0.4578164622027277,0.5573919710780618
EOS-3-30400,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)cc(C)n2)nn1,HHMMRLCACFEECS-UHFFFAOYSA-N,3,1,0.495,58,241,442.458,3.416,5,0.394,0.62,0.999,0.6374220409841683,0.5887790418751285,0.3657734219724488,0.30886334041532454,0.47520946131176756
EOS-3-30401,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)s1,LDWNWHNZTAEXDP-UHFFFAOYSA-N,3,1,0.506,87,307,433.472,3.774,5,0.402,0.66,1.0,0.6177352477554657,0.5731958056336097,0.37754437667055035,0.3465235419093962,0.4787497429922555
EOS-3-30402,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)nn1,UIQUCTOEBOLDOZ-UHFFFAOYSA-N,3,1,0.462,2,875,452.812,3.549,5,0.399,0.62,1.0,0.5922914810499623,0.7135734356795285,0.7614111438558016,0.7786734973613871,0.7114873894866698
EOS-3-30403,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cncc(Cl)c5)nn4)n23)nc1,RGMFAFFDXVSJEE-UHFFFAOYSA-N,3,1,0.269,86,312,455.873,2.883,6,0.398,0.61,1.0,0.014717976835035295,0.10398533342471386,0.2696610924542526,0.3337502570077445,0.18052866493043657
EOS-3-30404,Cc1nc(-c2ccc(C(=O)O)cc2)cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)n1,GRSORQZOMIMULG-UHFFFAOYSA-N,3,1,0.415,44,500,475.415,3.507,5,0.367,0.77,0.983,0.5017819203618669,0.10072133506956343,0.5892073881159618,0.43861798368857513,0.4075821568089918
EOS-3-30405,Fc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)c1,CFRIEYKGHIRJKM-UHFFFAOYSA-N,3,1,0.522,88,137,448.408,4.287,5,0.386,0.68,1.0,0.8920567473099856,0.9100044548009046,0.9094476046878213,0.912728736892605,0.9060593859228292
EOS-3-30406,Clc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)s1,LFYZHZJEZAYKLC-UHFFFAOYSA-N,3,1,0.33,32,191,469.921,4.482,6,0.372,0.75,1.0,0.13747344253306834,0.2735504763210198,0.2624905763827017,0.3337588239325612,0.25181832979233776
EOS-3-30407,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cccnn5)c4)n23)ncc1Cl,RFSYTSLNVSXMPR-UHFFFAOYSA-N,3,1,0.511,37,490,465.851,4.196,5,0.371,0.69,1.0,0.9471763415804263,0.9490696319649099,0.8302635186073607,0.8546621204852306,0.8952929031594818
EOS-3-30408,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cccnn6)cnn5)n34)cn2)cn1,DQRNEVGQLSFKTD-UHFFFAOYSA-N,3,1,0.398,71,549,463.465,2.413,6,0.362,0.64,1.0,0.26898430539373586,0.22268007675964635,0.19860701802480982,0.15812829826605443,0.2120999246110616
EOS-3-30409,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5nnc6ccccn56)nn4)n23)ccc1Cl,HAOISQNZYIOHHN-UHFFFAOYSA-N,3,1,0.44,34,706,459.832,3.876,6,0.391,0.64,1.0,0.8274792680419437,0.8889126859022686,0.4886659584675485,0.6136488246179151,0.704676684257419
EOS-3-30410,Cc1nccc(OCc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(C#N)c4)n23)n1,QJJIBWRHTSJGOM-UHFFFAOYSA-N,3,1,0.379,85,767,439.414,2.937,5,0.406,0.59,1.0,0.7402851072578988,0.6649390034953053,0.44661949146734287,0.3661160989651155,0.5544899252964156
EOS-3-30411,N#Cc1cc(COc2cncc3nnc(-c4cccc(-c5csnn5)c4)n23)c(Cl)cn1,SYQDEOZJCDODQB-UHFFFAOYSA-N,3,1,0.472,72,506,446.883,3.809,5,0.4,0.65,1.0,0.5863374683023782,0.6358714275923515,0.6553440477006374,0.6685371119183058,0.6365225138784182
EOS-3-30412,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)ccc2F)cn1,YUWJHXIGPPVUJY-UHFFFAOYSA-N,3,1,0.518,35,795,461.888,4.366,5,0.371,0.7,1.0,0.9480416009869097,0.9406826125693921,0.6231495442395998,0.6457062572818861,0.7893950037694469
EOS-3-30413,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cnn2)nc1,YRFHHVUSEOLNMX-UHFFFAOYSA-N,3,1,0.467,4,486,439.863,4.076,5,0.407,0.64,0.998,0.6344407511479679,0.7181910081557125,0.5829878006990611,0.6513604276608869,0.6467449969159071
EOS-3-30414,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)n1,SIRTXPVZQWMJPT-UHFFFAOYSA-N,3,1,0.554,1,436,438.875,4.681,5,0.371,0.77,1.0,0.829715235419094,0.9233774244397231,0.6111130148721815,0.7002090329655267,0.7661036769241313
EOS-3-30415,FC(F)c1ccc(Cc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1,UQBIFDXWAMIAMX-UHFFFAOYSA-N,3,1,0.37,85,290,415.407,4.172,5,0.429,0.76,1.0,0.3116647248303749,0.34361935439654584,0.8400726475224454,0.8056250428346241,0.5752454423959976
EOS-3-30416,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(C)(C)O)cc5)n34)nc2)s1,BOBMPAJQRLEUBW-UHFFFAOYSA-N,3,1,0.529,89,398,459.535,3.82,5,0.408,0.67,1.0,0.43884929065862516,0.33346754848879445,0.5167483380165856,0.30576211363169076,0.398706822698924
EOS-3-30417,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)nc2)cs1,ALOUMKHYAYUAPR-UHFFFAOYSA-N,3,1,0.433,46,122,419.445,3.731,5,0.401,0.78,1.0,0.46688026865876225,0.49980296072921665,0.3470289904735796,0.2992512507710232,0.40324086765814543
EOS-3-30418,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnnn6C)nn5C)n34)cc2)n1,OWDFZEBVICGVTM-UHFFFAOYSA-N,3,1,0.288,98,866,450.47,2.148,6,0.396,0.59,1.0,0.0730501679117264,0.04499348913713933,0.03323110136385443,0.03228873963402097,0.04589087451168529
EOS-3-30419,COc1cnc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5nc(C)no5)nc4)n23)cn1,NCDYCTJTVJUQEA-UHFFFAOYSA-N,3,1,0.303,86,790,464.449,3.072,6,0.371,0.65,1.0,0.3011959427044068,0.16392810636693853,0.08708279076142827,0.05877767116715784,0.15274612774998284
EOS-3-30420,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(CO)cn5)n34)cn2)c(C)nn1,JEDUKDPRUQMXLU-UHFFFAOYSA-N,3,1,0.291,50,489,411.429,2.209,5,0.473,0.75,0.996,0.14543211568775272,0.1232951819614831,0.11495099719004866,0.08656020834761154,0.117559625796724
EOS-3-30421,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4cn(-c5ccccn5)nn4)n23)cc1,VIBMPLSVQZNRRL-UHFFFAOYSA-N,3,1,0.333,10,705,425.387,3.228,6,0.423,0.66,1.0,0.024270098005619904,0.11631313823589884,0.24826091426221644,0.3498989102871633,0.18468576519772462
EOS-3-30422,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)ncn2)s1,HRWVSTLXFOALHJ-UHFFFAOYSA-N,3,1,0.404,46,395,421.421,2.521,5,0.422,0.64,0.318,0.529967103008704,0.372164347885683,0.09893941470769653,0.11365739154273181,0.27868206428620385
EOS-3-30424,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)cn2)nc1,OYKDXWAZNBPUTK-UHFFFAOYSA-N,3,1,0.317,42,150,422.477,4.163,6,0.424,0.68,1.0,0.004283462408333904,0.08839353025837846,0.4208844493180728,0.43579089849907476,0.237338085120965
EOS-3-30425,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(-n6cccn6)n5)n34)ccn2)nc1,GQYODPJAPFHVOS-UHFFFAOYSA-N,3,1,0.453,80,597,462.477,3.111,6,0.367,0.67,1.0,0.21221986155849495,0.12330374888629977,0.14401000616818588,0.10661537934343088,0.14653724898910286
EOS-3-30426,COc1ncccc1-c1nccnc1Cc1cncc2nnc(-c3ccc(Cl)nc3C)n12,AJUJINZWDPJSBF-UHFFFAOYSA-N,3,1,0.31,85,290,444.886,3.6,5,0.379,0.67,0.729,0.4045987252415873,0.47244020286477967,0.16565862517990543,0.1659070659995888,0.30215115482146526
EOS-3-30427,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)s1,XOCSHRRGGHVZAT-UHFFFAOYSA-N,3,1,0.274,76,957,437.492,3.772,6,0.414,0.64,0.897,0.02772256870673703,0.05219827290795696,0.18185011308340757,0.21379617572476184,0.11889178260571584
EOS-3-30428,COc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cn2)cn1,QFPHACISLAUBEZ-UHFFFAOYSA-N,3,1,0.447,65,903,427.428,2.063,5,0.381,0.62,1.0,0.5323230073332876,0.4148790350215886,0.06688198204372559,0.03344527448427113,0.2618823247207182
EOS-3-30430,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc(C)n2)cn1,INSUCQDZXJJERB-UHFFFAOYSA-N,3,1,0.429,44,500,458.913,3.93,5,0.352,0.71,1.0,0.5666249742992255,0.5732043725584264,0.25884963333561783,0.24841511890891646,0.4117735247755466
EOS-3-30431,COc1nc(-c2ccnc(F)c2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,AEXVKMILTDUFGR-UHFFFAOYSA-N,3,1,0.426,75,710,444.43,2.808,5,0.35,0.68,1.0,0.6177438146802824,0.5451648276334727,0.20570043177301076,0.1527054348571037,0.3803286272359674
EOS-3-30432,Fc1ccc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cn1,CKFUGQWOBVLBBM-UHFFFAOYSA-N,3,1,0.389,46,128,434.822,3.41,5,0.387,0.63,1.0,0.6859536700705915,0.8011188403810569,0.4572853128640943,0.5277911041052704,0.6180372318552533
EOS-3-30433,COc1cc(Cl)ccc1-c1nnc2cncc(-c3c(-c4ncccc4F)nn(C)c3C)n12,XLNHBFUUJCWJDY-UHFFFAOYSA-N,3,1,0.348,22,985,449.877,4.363,5,0.405,0.71,1.0,0.1540590089781372,0.4195651428963059,0.4430727845932424,0.4945000342676993,0.37779924268384624
EOS-3-30434,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccsc5)n4)n23)c(O)c1,YMDIQHHWXLHAOE-UHFFFAOYSA-N,3,1,0.271,8,765,454.479,2.873,6,0.427,0.57,0.749,0.244971215132616,0.1105218970598314,0.08471831951202796,0.08838496333356179,0.13214909875950928
EOS-3-30435,Cc1ccc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,WPPFUOIAHNIYGM-UHFFFAOYSA-N,3,1,0.523,35,846,443.898,4.227,5,0.388,0.65,1.0,0.637430607908985,0.7321122609827976,0.5232506339524364,0.5312778425056541,0.6060178363374682
EOS-3-30436,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1-c1cncnc1,PNNYIXQLGZMLNG-UHFFFAOYSA-N,3,1,0.518,4,817,438.875,4.681,5,0.396,0.74,1.0,0.8463950380371462,0.9080083613186211,0.8432338427797957,0.8598451099993146,0.8643705880337194
EOS-3-30437,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5scnc5C)n34)cn2)n1,UWNULJYOJUGKFW-UHFFFAOYSA-N,3,1,0.516,65,579,430.497,3.338,5,0.404,0.72,1.0,0.4744534301966966,0.4415478719758755,0.044436639024055924,0.031243574806387498,0.2479203790007539
EOS-3-30438,c1ccc(-c2ncccc2-c2nnc3cncc(-c4cnnc(-c5cccs5)n4)n23)cc1,WPSPXIUPHVISFA-UHFFFAOYSA-N,3,1,0.315,30,371,434.488,4.434,6,0.405,0.7,0.382,0.09773147830854637,0.13725070248783497,0.21275957782194505,0.3088719073401412,0.1891534164896169
EOS-3-30439,Clc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccccc5)n34)c2)s1,JUXAQRLSRBJAIL-UHFFFAOYSA-N,3,1,0.568,72,700,421.873,3.937,5,0.424,0.7,1.0,0.5453532999794394,0.6075577410732643,0.28112363785895417,0.33376739085737783,0.4419505174422589
EOS-3-30440,Fc1cc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)ccn1,DOXFKHZIKQNRIN-UHFFFAOYSA-N,3,1,0.3,64,365,446.449,4.511,6,0.368,0.72,0.969,0.2689928723185525,0.30425433486395725,0.5434343088205058,0.6223014186827497,0.4347457336714413
EOS-3-30441,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)nc1,XRVWTVCXUBAEMM-UHFFFAOYSA-N,3,1,0.322,70,968,450.441,3.245,6,0.376,0.62,1.0,0.08572064971557809,0.21722294565142897,0.43195291618120757,0.4325697347680077,0.2918665615790556
EOS-3-30442,Cn1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccc2F)n1,NEIRGNBAHYANCZ-UHFFFAOYSA-N,3,1,0.547,37,265,468.855,3.535,5,0.376,0.69,0.991,0.8920653142348023,0.8353779727229114,0.7299191282297307,0.7510451648276335,0.8021018950037695
EOS-3-30443,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2)n1,IQXYKDKTEXSKBW-UHFFFAOYSA-N,3,1,0.457,31,304,417.408,2.137,5,0.413,0.71,0.987,0.5068107052292509,0.4504060722363101,0.15013535741210335,0.14263929819751903,0.31249785826879584
EOS-3-30444,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)nn5C)n34)ccn2)n1,OPJVSPCIOVPVBS-UHFFFAOYSA-N,3,1,0.456,92,185,434.851,2.313,5,0.41,0.61,1.0,0.3090004112123912,0.37217291481049963,0.07772770886162703,0.08303920224796107,0.21048505928311972
EOS-3-30445,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c1,KEFLNVMYMTVMSQ-UHFFFAOYSA-N,3,1,0.419,36,931,451.853,3.231,5,0.362,0.67,1.0,0.4365533548077582,0.44622541292577617,0.17230655883763965,0.2221403604961963,0.31930642176684254
EOS-3-30446,Cc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)n2)cn1,HSQOPDAIWLYZSR-UHFFFAOYSA-N,3,1,0.317,86,513,448.454,2.204,6,0.394,0.56,1.0,0.05813515180590775,0.03767733534370502,0.05533376739085738,0.05172709204304023,0.0507183366458776
EOS-3-30447,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cc1=O,LBXPOBGKAOFYTO-UHFFFAOYSA-N,3,1,0.474,2,349,460.885,2.617,5,0.38,0.66,1.0,0.45976972106092795,0.3957062572818861,0.38111678431910084,0.3977023507641697,0.40857377835652114
EOS-3-30448,Clc1ncccc1-c1ncnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)n1,QWKIYMLINHQFJC-UHFFFAOYSA-N,3,1,0.286,42,136,464.88,3.816,6,0.358,0.7,0.926,0.2147899390034953,0.29929408539510655,0.2847817147556713,0.37905215543828386,0.2944794736481392
EOS-3-30449,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c(F)c2)ns1,QRAUEPOWYAVPIV-UHFFFAOYSA-N,3,1,0.517,37,563,451.462,3.913,5,0.387,0.7,1.0,0.6646991296004386,0.7414502090329655,0.3622010143238983,0.3947124940031526,0.5407657117401138
EOS-3-30450,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4sccc4F)n23)cc1F,ZQXCWNISDMWQDB-UHFFFAOYSA-N,3,1,0.524,4,526,424.436,4.111,5,0.425,0.68,1.0,0.755362894935234,0.6746367623877733,0.7867092728394216,0.7587810979370845,0.7438725070248783
EOS-3-30451,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)c(F)c2)n[nH]1,WMGNSYKPYHRVPN-UHFFFAOYSA-N,3,1,0.333,9,867,438.426,4.346,6,0.436,0.63,1.0,0.38286443698170103,0.4008978137207868,0.652568364060037,0.6309882804468508,0.5168297238023439
EOS-3-30452,Cc1cc(-c2cnc(-c3nnc4cncc(OCCc5cncs5)n34)cn2)cc(Cl)n1,IPLVMZDEPXKJAP-UHFFFAOYSA-N,3,1,0.43,18,720,450.915,3.683,5,0.361,0.68,0.967,0.5299756699335206,0.5980398876019464,0.19861558494962647,0.22814577479268042,0.38869422931944353
EOS-3-30453,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)nn5)n34)cn2)c1,PRGGLLZIAMYTDC-UHFFFAOYSA-N,3,1,0.293,70,887,435.476,3.829,6,0.411,0.61,0.982,0.09531560551024604,0.13356692481666782,0.26249914330751833,0.3023696114042903,0.19843782125968062
EOS-3-30454,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)c1,FDVVMROPVYWILQ-UHFFFAOYSA-N,3,1,0.438,18,194,448.849,3.452,5,0.364,0.64,0.997,0.7926204509629223,0.7089472962785278,0.5861318621067781,0.6223099856075663,0.6775023987389487
EOS-3-30455,Fc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ncccn1,GZISNTGYYZMJSW-UHFFFAOYSA-N,3,1,0.453,18,814,448.849,3.452,5,0.364,0.64,0.995,0.8247978205743266,0.8089575765883079,0.36578198889726543,0.43257830169282435,0.6080289219381811
EOS-3-30456,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c(F)c2)s1,JMDHBVTXFPHDER-UHFFFAOYSA-N,3,1,0.456,4,606,451.462,4.179,5,0.396,0.68,1.0,0.679905421150024,0.6844373243780413,0.540050373517922,0.48231786717839764,0.5966777465560962
EOS-3-30457,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3ccc(-c4cnccn4)cc3)n12,NJNDOIHNUMJGSZ-UHFFFAOYSA-N,3,1,0.37,69,484,445.461,5.116,6,0.375,0.78,1.0,0.31685628126927556,0.4724487697895963,0.8189637447741759,0.8283445274484271,0.6091533308203687
EOS-3-30458,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cn4)n23)cn1,ZKSPCJSENXJILL-UHFFFAOYSA-N,3,1,0.315,70,968,463.465,2.509,6,0.375,0.62,1.0,0.18729011034199164,0.13014872181481735,0.08709135768624494,0.06843259543554246,0.1182406963196491
EOS-3-30459,COc1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cn5)n34)ccn2)cn1,YZOZYJRTFHDIQG-UHFFFAOYSA-N,3,1,0.262,86,165,463.465,2.509,6,0.375,0.64,0.78,0.06334384209444179,0.028844835857720512,0.14120005482831882,0.09035535604139538,0.08093602220546912
EOS-3-30460,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)cn5)n34)cc2)n[nH]1,ZHISPXBNUPOIAE-UHFFFAOYSA-N,3,1,0.311,38,154,423.465,3.762,6,0.459,0.64,1.0,0.10538174216983072,0.13357549174148448,0.3811253512439175,0.3885443081351518,0.25215672332259614
EOS-3-30461,c1coc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)nc2)c1,QDTQHMRLTJVZBT-UHFFFAOYSA-N,3,1,0.277,94,687,418.42,3.965,6,0.423,0.73,0.99,0.06335240901925844,0.06390069220752519,0.48518778699198134,0.4823264341032143,0.27369183058049484
EOS-3-30462,Cc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)n2)cc1,KEOHSCRQNOCUJY-UHFFFAOYSA-N,3,1,0.278,10,871,422.412,2.792,6,0.421,0.63,0.94,0.06912651634569256,0.06390925913234186,0.11189260503049825,0.1227897333972997,0.09192952847645809
EOS-3-30463,Cc1nc(-c2cnccc2F)cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)n1,WKUAQKBHTVOQLF-UHFFFAOYSA-N,3,1,0.387,13,907,451.824,4.676,5,0.392,0.69,1.0,0.6709101500925228,0.6746453293125899,0.8096086628743746,0.8441333698855459,0.7498243780412582
EOS-3-30464,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6conn6)nc5)n34)nc2)cn1,IXAUCCDXXQLKGO-UHFFFAOYSA-N,3,1,0.25,70,165,420.396,2.755,6,0.419,0.68,0.997,0.05281509149475704,0.059925639092591326,0.2734990747721198,0.28431053389075456,0.1676375848125557
EOS-3-30465,Fc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)s1,NVULBWMCNIEZDW-UHFFFAOYSA-N,3,1,0.347,30,126,452.478,4.573,6,0.387,0.69,1.0,0.1872986772668083,0.3721814817353163,0.34703755739839626,0.4135340278253718,0.33001293605647314
EOS-3-30468,Fc1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)cn2)cn1,HIDUJHWGDZMIGJ-UHFFFAOYSA-N,3,1,0.333,85,81,433.397,4.311,5,0.384,0.67,0.823,0.3317798642999109,0.43745288191350834,0.9021914193681037,0.8795747378521006,0.6377497258584058
EOS-3-30469,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)c(Cl)c1F,NKILQWBDAREAJH-UHFFFAOYSA-N,3,1,0.449,59,153,450.836,4.759,5,0.359,0.78,1.0,0.8011788088547734,0.7845504077856212,0.9411452265094922,0.9443578233157426,0.8678080666164074
EOS-3-30470,Fc1cnc(F)c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cnn2)c1,QIOMYZIFNIVYCK-UHFFFAOYSA-N,3,1,0.394,46,915,452.812,3.549,5,0.373,0.63,1.0,0.8064474676170242,0.8283873620725104,0.7142330888904119,0.7561767527928175,0.776311167843191
EOS-3-30472,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)cc1,ITRHBYAYRCYCFB-UHFFFAOYSA-N,3,1,0.276,32,20,418.42,3.965,6,0.423,0.75,0.943,0.1129463367829484,0.07478925364950997,0.3657905558220821,0.4230861489959564,0.24415307381262422
EOS-3-30473,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)nc1C,ITIULFBPMHBRKG-UHFFFAOYSA-N,3,1,0.505,87,579,442.458,3.416,5,0.394,0.61,1.0,0.6709187170173394,0.754694674799534,0.20200808717702692,0.17132136248372284,0.4497357103694058
EOS-3-30475,COc1cc(F)cc(-c2cnnc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)c2)c1,WSTDKYPFAUMURS-UHFFFAOYSA-N,3,1,0.417,92,207,444.43,3.073,5,0.39,0.6,1.0,0.4506373792063601,0.45041463916112673,0.4466280583921596,0.34990747721198,0.4243968884929066
EOS-3-30477,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncnnc4-c4ccccc4)n23)cn1,WUDWBDVZVDUVPW-UHFFFAOYSA-N,3,1,0.404,6,363,462.477,3.018,6,0.367,0.63,0.995,0.43885785758344187,0.25790727160578436,0.12351792200671646,0.12514563772188336,0.2363571722294565
EOS-3-30478,COc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,FWZXEQDXJHKYCD-UHFFFAOYSA-N,3,1,0.473,65,263,462.42,2.947,5,0.36,0.64,1.0,0.8168220135700089,0.6358799945171681,0.35095264203961346,0.2992598176958399,0.5257286169556576
EOS-3-30479,Cc1cccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ncc(Cl)cn5)n34)nn2)n1,TVUAGOXXXWHCCH-UHFFFAOYSA-N,3,1,0.304,86,312,468.872,2.643,6,0.379,0.64,0.475,0.010717222945651429,0.0945017476526626,0.060936536220958126,0.10246898773216366,0.06715612363785896
EOS-3-30480,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)c1,GBJCSJAVAXIFQS-UHFFFAOYSA-N,3,1,0.379,46,211,434.41,3.322,5,0.404,0.6,1.0,0.48181241861421426,0.2890394763895552,0.5829963676238777,0.5242786649304366,0.469531731889521
EOS-3-30481,Cn1nccc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4F)n23)cc1,HLQPWOTYTBRDQY-UHFFFAOYSA-N,3,1,0.471,67,722,454.425,4.173,6,0.382,0.67,1.0,0.577650606538277,0.5501165101775067,0.646999862929203,0.570454389692276,0.5863053423343156
EOS-3-30483,COc1nnc(-c2nnc3cncc(OCc4nc(F)cs4)n23)cc1-c1cn(C)cn1,LRTNKNAFRUJVIO-UHFFFAOYSA-N,3,1,0.419,53,105,439.436,2.165,5,0.392,0.62,0.996,0.3267767802069769,0.4055410869714207,0.0532777054348571,0.033453841409087796,0.20476235350558564
EOS-3-30484,COc1ccccc1-c1ncsc1-c1cncc2nnc(-c3ccc(C(C)=O)nc3)n12,GJGAEYONEFIELL-UHFFFAOYSA-N,3,1,0.386,82,204,428.477,4.188,5,0.387,0.74,0.991,0.20952984716606127,0.13358405866630113,0.21608354465081214,0.14264786512233568,0.17546132890137756
EOS-3-30486,COc1ccc(-c2cncc3nnc(-c4cnc(-c5ccnc(Cl)c5)cn4)n23)nn1,VPAZHLUCVOQUBO-UHFFFAOYSA-N,3,1,0.284,50,845,417.82,2.762,5,0.407,0.68,0.996,0.37368069357823314,0.41019292714687133,0.24114179973956548,0.26661983414433554,0.3229088136522514
EOS-3-30487,COCc1ccc(-c2nnc3cncc(-c4cc(-c5cncc(F)c5)ccc4F)n23)cn1,ZKGDIJCFTLNNBH-UHFFFAOYSA-N,3,1,0.357,96,478,430.418,4.34,5,0.413,0.69,1.0,0.4892827770543486,0.5544856418340073,0.8904033308203687,0.8795833047769173,0.7034387636214104
EOS-3-30488,Cc1ncc(-c2ncccc2-c2nnc3cncc(-c4ncn(-c5ccccc5F)n4)n23)cn1,RWJZOUKILBCKAZ-UHFFFAOYSA-N,3,1,0.293,10,871,450.441,3.339,6,0.402,0.58,0.877,0.01811047906243575,0.159944486327188,0.22665512987458022,0.2753323966828867,0.17001062298677266
EOS-3-30489,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccnc(-c4cccnn4)c3)n12,COFJYVXXAKXEKB-UHFFFAOYSA-N,3,1,0.517,75,265,448.849,3.452,5,0.389,0.61,0.992,0.8512182167089302,0.8168562812692756,0.5861404290315948,0.6195000342676993,0.718428740319375
EOS-3-30490,COCc1cnc(COc2cncc3nnc(-c4ccnc(-c5ncnn5C)c4)n23)cn1,OWMVAHYXCXZGKK-UHFFFAOYSA-N,3,1,0.449,7,535,430.432,1.497,5,0.374,0.62,1.0,0.18177301076005756,0.09134055239531218,0.046201425536289496,0.023798917140703174,0.08577847645809059
EOS-3-30491,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5Cl)n34)ccn2)nn1,FWXRCWZPONTADO-UHFFFAOYSA-N,3,1,0.456,55,486,449.837,3.113,5,0.373,0.62,1.0,0.7071825097662943,0.6796912480296073,0.39954423959975327,0.41027859639503805,0.5491741484476732
EOS-3-30492,Cc1[nH]nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cc2)c1C,XTBISFKYQGJTNB-UHFFFAOYSA-N,3,1,0.316,32,179,444.502,4.922,6,0.414,0.74,0.99,0.06514289630594201,0.07814748817764375,0.43964601466657527,0.4102871633198547,0.24830589061750394
EOS-3-30493,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)c1,YEUVBERGULSKMO-UHFFFAOYSA-N,3,1,0.517,11,137,446.873,4.662,5,0.377,0.72,1.0,0.789767664998972,0.8809111781235008,0.8117760948529916,0.8546706874100473,0.8342814063463779
EOS-3-30494,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)n1,JXCFKLCIYFPJHB-UHFFFAOYSA-N,3,1,0.517,7,85,430.859,3.579,5,0.416,0.58,1.0,0.5400589404427387,0.664947570420122,0.3958690288534028,0.4008121444726201,0.5004219210472209
EOS-3-30495,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nc(C)no6)n5)n34)cn2)n1,HUHIPEPGPVLKRG-UHFFFAOYSA-N,3,1,0.317,76,368,447.462,3.977,6,0.395,0.64,1.0,0.15686896031800424,0.13725926941265162,0.1412086217531355,0.12515420464670002,0.14012276403262286
EOS-3-30496,CCOC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)c(F)c1,YVDHEXOCGDNPMS-UHFFFAOYSA-N,3,1,0.37,66,455,446.364,3.507,4,0.342,0.7,1.0,0.4668888355835789,0.5544942087588239,0.8770988965800837,0.7086217531354945,0.6517759235144952
EOS-3-30497,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4cc(C(F)F)ncn4)n23)c1,QUCXWAAIDMRZBS-UHFFFAOYSA-N,3,1,0.489,27,921,434.41,3.498,5,0.404,0.61,0.961,0.4388664245082585,0.4055496538962374,0.6410886848057021,0.497549859502433,0.4957636556781578
EOS-3-30498,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)c2)nn1,NBSAZXIHECRSKN-UHFFFAOYSA-N,3,1,0.494,34,630,465.851,4.462,5,0.354,0.75,1.0,0.8791463916112672,0.8784182030018505,0.8515951614008636,0.8546792543348639,0.8659597525872113
EOS-3-30499,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccsc5)c4)n23)cc1,OCPZXHOMCRLJCN-UHFFFAOYSA-N,3,1,0.413,62,916,469.545,5.142,6,0.374,0.83,1.0,0.2690014392433692,0.24814097731478307,0.5924713864711123,0.6628486738400384,0.4431156192173258
EOS-3-30500,Cn1cccc(COCc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)c1=O,FDCUZRPHQYMQPA-UHFFFAOYSA-N,3,1,0.495,57,80,459.456,4.152,5,0.381,0.7,1.0,0.44591700363237613,0.4550407785621273,0.8634860530463985,0.8647196902199986,0.6572908813652251
EOS-3-30501,CCn1nc(-c2ccccc2Cl)nc1-c1cncc2nnc(-c3ccc(C)nc3)n12,KIZGHFJMZYXGTD-UHFFFAOYSA-N,3,1,0.39,22,336,416.876,4.094,5,0.438,0.75,1.0,0.11851483791378246,0.3042629017887739,0.11190117195531492,0.23101569460626414,0.19142365156603386
EOS-3-30502,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3nc(-c4ccc(F)nc4)ccc3F)n12,FKJQYDNUIUGVGC-UHFFFAOYSA-N,3,1,0.313,30,474,467.443,3.989,6,0.362,0.73,0.999,0.09774004523336303,0.30427146871359056,0.317695839901309,0.44514598039887604,0.29121333356178464
EOS-3-30503,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)c2)cn1,WDVGYUCZSDBHEV-UHFFFAOYSA-N,3,1,0.245,86,421,433.439,2.501,6,0.412,0.56,1.0,0.026583167706120212,0.010494482900418066,0.23408265369063122,0.21650332396682886,0.1219159070659996
EOS-3-30504,Cn1cc(-c2cncc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)n2)cn1,NIQVQNRWDKDOCJ-UHFFFAOYSA-N,3,1,0.262,70,880,433.439,2.501,6,0.412,0.56,0.999,0.031235007881570832,0.004274895483517237,0.09181173326022891,0.13150229593585086,0.06470598314029197
EOS-3-30506,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(F)c(-c4ccncn4)c3)n12,LMEXFTYTSSBLPW-UHFFFAOYSA-N,3,1,0.477,13,145,436.809,4.972,5,0.395,0.72,1.0,0.9144678226303886,0.9319272154067576,0.9485384826262765,0.9572767459392776,0.938052566650675
EOS-3-30507,COCc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cn2)o1,NQQKYFWFVPEHEA-UHFFFAOYSA-N,3,1,0.461,55,283,422.43,2.418,5,0.386,0.69,1.0,0.3267853471317936,0.2530069906106504,0.039981838119388664,0.028562127338770477,0.1620840758001508
EOS-3-30508,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccncn5)cn4)n23)cc1,ZASAYFRQIXZFJF-UHFFFAOYSA-N,3,1,0.457,56,8,463.465,2.413,6,0.362,0.62,1.0,0.42756665067507366,0.1807021451579741,0.14121718867795216,0.10662394626824755,0.21402748269481187
EOS-3-30509,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnnc5)n4)n23)nc1,YFHXIFHXCQEABQ-UHFFFAOYSA-N,3,1,0.381,6,549,463.465,2.413,6,0.362,0.62,1.0,0.23415975601398123,0.11632170516071551,0.18185868000822425,0.13807312727023507,0.16760331711328902
EOS-3-30510,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccn2)nc1,HDJSHINNUJHFQX-UHFFFAOYSA-N,3,1,0.488,24,199,431.406,3.809,5,0.418,0.61,1.0,0.8297238023439106,0.6403262284970187,0.7685388253032691,0.7056147625248441,0.7360509046672608
EOS-3-30512,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnsc5C)n4)n23)cc1,NNZDHDCHUBYYOV-UHFFFAOYSA-N,3,1,0.518,4,268,433.472,4.04,5,0.413,0.68,0.998,0.49173291755191556,0.6358885614419848,0.237440888218765,0.2546261394010006,0.4049221266534165
EOS-3-30513,CCc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)cn1,PFBSUWWIFPZXFS-UHFFFAOYSA-N,3,1,0.452,4,354,428.431,3.319,5,0.38,0.66,1.0,0.5833904461654444,0.6504951682544033,0.42089301624288944,0.33061476252484406,0.49634834829689534
EOS-3-30514,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cc2F)n1,ICOZYRMULYCJKW-UHFFFAOYSA-N,3,1,0.494,16,772,450.384,3.343,5,0.376,0.63,1.0,0.9021228839695703,0.8457182509766294,0.6990439311904598,0.6743454869440065,0.7803076382701666
EOS-3-30515,Cc1nc(-c2nncc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cn5)n34)n2)cs1,AGAPMHHIIPABRE-UHFFFAOYSA-N,3,1,0.274,86,892,469.469,3.066,6,0.379,0.67,0.117,0.16501610581865533,0.22785449934891372,0.0777362757864437,0.12279830032211637,0.1483512953190323
EOS-3-30516,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)n6)n5C)n34)cc2)n1C,DUWXEEKBGWVBTP-UHFFFAOYSA-N,3,1,0.346,8,474,466.484,3.497,6,0.366,0.64,1.0,0.19290144609690904,0.2430522239736824,0.14122575560276884,0.1686484819409225,0.1864569769035707
EOS-3-30517,Fc1ccc(-c2cccnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,UVNGWPWYGHBHAK-UHFFFAOYSA-N,3,1,0.573,97,232,432.846,4.62,5,0.377,0.76,1.0,0.9084195737098211,0.9642330888904119,0.8480998560756631,0.8696456719895826,0.8975995476663696
EOS-3-30519,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)[nH]2)cn1,BNIYBPANTYGACF-UHFFFAOYSA-N,3,1,0.325,30,945,451.881,4.354,6,0.396,0.7,0.511,0.16227468987732163,0.30935165512987456,0.46794256733602907,0.5952984716606127,0.38371684600095946
EOS-3-30521,Cn1cncc1-c1ccc(-c2nnc3cncc(CCc4cncc(F)c4)n23)c(F)c1,ATFWZPHUTWXSQX-UHFFFAOYSA-N,3,1,0.356,85,580,417.423,3.65,5,0.436,0.74,1.0,0.402542663285587,0.4055582208210541,0.7168974025083956,0.7246419025426633,0.562410047289425
EOS-3-30522,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)n4)n23)c1,AHXIJQHONBBDTL-UHFFFAOYSA-N,3,1,0.489,26,563,449.877,4.001,5,0.364,0.69,1.0,0.767305188129669,0.7042697553286272,0.67485093550819,0.6656072236310054,0.7030082756493728
EOS-3-30523,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cscn5)n4)n23)cn1,VKRHDWLEGUUTID-UHFFFAOYSA-N,3,1,0.473,7,69,438.423,3.616,5,0.396,0.64,1.0,0.5580923171818244,0.5684925639092592,0.5232592008772531,0.4357994654238914,0.5214108868480569
EOS-3-30524,Clc1cncc(CCOc2cncc3nnc(-c4nccc(-c5ncncc5Cl)n4)n23)c1,GFWPYTJYJXIJQI-UHFFFAOYSA-N,3,1,0.402,65,262,466.292,3.362,5,0.371,0.64,0.278,0.6675604824892056,0.5545027756836406,0.2482694811870331,0.3885528750599685,0.46472140360496195
EOS-3-30525,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)cc1,OFIMJWNOFIFCNC-UHFFFAOYSA-N,3,1,0.554,56,415,453.426,2.006,6,0.364,0.63,1.0,0.46203995613734494,0.23768076211363168,0.07548317455966007,0.06844116236035913,0.21091126379274894
EOS-3-30526,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1,AWYDRNKOJAOSET-UHFFFAOYSA-N,3,1,0.731,91,660,414.444,3.952,5,0.421,0.79,1.0,0.9213299294085395,0.805368035090124,0.754643273250634,0.7141559865670619,0.7988743060790899
EOS-3-30527,Cc1cc(C(F)F)cnc1-c1nnc2cncc(Cc3ccc(-c4csnn4)cc3)n12,PTNIUMJKEKOWKS-UHFFFAOYSA-N,3,1,0.306,85,740,435.463,4.542,5,0.403,0.7,0.887,0.21479850592831198,0.23254917414844767,0.7065913919539442,0.6833750257007745,0.4593285244328696
EOS-3-30528,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)s2)n1,ACJHTBHATCUSMR-UHFFFAOYSA-N,3,1,0.325,76,543,455.482,3.911,6,0.397,0.62,0.987,0.07686244945514357,0.22268864368446303,0.2696696593790693,0.35947673223219795,0.23217437118771844
EOS-3-30529,N#Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)ncn2)nn1,HKDSTUMPPPVDPX-UHFFFAOYSA-N,3,1,0.434,36,463,472.856,2.03,5,0.384,0.7,0.899,0.6948975395791926,0.8423857172229456,0.36958570351586595,0.39771091768898637,0.5761449695017475
EOS-3-30530,Cc1cnnc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)n1,HPYWVHLQPVFMST-UHFFFAOYSA-N,3,1,0.549,36,534,415.392,2.46,5,0.427,0.7,1.0,0.6829295456103077,0.7676050304982523,0.23409122061544788,0.26041738057706804,0.48626079432526903
EOS-3-30531,NC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(-c5cncnc5)n4)n23)cc1,BQPZPXDPJUVPJM-UHFFFAOYSA-N,3,1,0.582,15,215,473.884,2.412,5,0.352,0.69,1.0,0.6769241313138236,0.41488760194640534,0.17550202179425672,0.15005825508875334,0.3543430025358097
EOS-3-30532,Cc1ncc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)n1,ASFYNYPVFGXKCP-UHFFFAOYSA-N,3,1,0.3,30,543,461.464,4.215,6,0.384,0.67,0.97,0.21480707285312864,0.2837708176273045,0.3285587005688438,0.4515026386128435,0.31965980741553013
EOS-3-30533,COc1cc(-c2nncc(C)n2)ccc1-c1nnc2cncc(OCCc3ncc(F)cn3)n12,JRJOIYILGXHYNE-UHFFFAOYSA-N,3,1,0.484,20,795,459.445,2.511,5,0.358,0.63,1.0,0.7100609965046947,0.5405729559317387,0.13185353985333426,0.09036392296621205,0.36821285381399493
EOS-3-30534,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)s5)n34)cn2)ncn1,QODJHGGOVFETNS-UHFFFAOYSA-N,3,1,0.456,24,786,419.445,3.731,5,0.429,0.72,1.0,0.6799139880748406,0.6993780412583099,0.439654581591392,0.37563395243643344,0.548645140840244
EOS-3-30535,Cc1c(F)ccc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1F,PGVROPVKKKQQMU-UHFFFAOYSA-N,3,1,0.466,2,109,436.447,4.475,5,0.404,0.77,0.999,0.6829381125351244,0.5786015351929271,0.8096172297991913,0.7535895414981838,0.7061866047563568
EOS-3-30536,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5cccnc5-c5cccc(F)c5)n34)n2)cc1,NWFQBJKSTMNQON-UHFFFAOYSA-N,3,1,0.353,3,118,452.428,4.379,6,0.395,0.64,0.998,0.03248577890480433,0.2226972106092797,0.6470084298540196,0.7510537317524502,0.4133112877801385
EOS-3-30537,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5cncc(Cl)c5)n34)c2)o1,YFWLYJHSZDNLJA-UHFFFAOYSA-N,3,1,0.388,14,351,418.844,4.382,5,0.418,0.79,1.0,0.5323315742581043,0.5043691316565005,0.6378589541498184,0.6136573915427318,0.5720542629017887
EOS-3-30538,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncnn5C)n4)n23)cc1,ILGDPCAMENYWSM-UHFFFAOYSA-N,3,1,0.494,56,415,466.469,1.751,6,0.356,0.63,1.0,0.3168648481940923,0.1981872387087931,0.02627475841272017,0.01693681036255226,0.13956591391953946
EOS-3-30539,CCc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cn2)cn1,AWFBPHNHOOMRSA-UHFFFAOYSA-N,3,1,0.446,55,282,446.421,3.458,5,0.365,0.67,1.0,0.7673137550544856,0.7460335138098828,0.49182715372489894,0.4293742718113906,0.6086371736001644
EOS-3-30540,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)cs1,TZIVQGOMKIAMEI-UHFFFAOYSA-N,3,1,0.443,73,196,453.89,4.385,5,0.39,0.76,1.0,0.7579929408539511,0.767613597423069,0.4816924816667809,0.5044719347543006,0.6279427386745254
EOS-3-30541,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nccnc4-c4ccsc4)n23)cn1,LJJKJLSGJOSGCH-UHFFFAOYSA-N,3,1,0.307,39,953,453.466,3.968,6,0.369,0.7,0.659,0.18178157768487424,0.22270577753409637,0.23409978754026456,0.3240696319649099,0.24066419368103625
EOS-3-30542,FC(F)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ccncc5)nc4)n23)cc1,RCYQDLRXWRFHKC-UHFFFAOYSA-N,3,1,0.444,14,886,428.446,4.971,5,0.382,0.82,1.0,0.41577856212733877,0.4593670755945446,0.8917312041669523,0.8696542389143993,0.6591327702008087
EOS-3-30543,Cc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4-c4cnc(C)nc4)n23)cn1,WYPFVAXRECQYCU-UHFFFAOYSA-N,3,1,0.5,2,879,444.886,3.888,5,0.402,0.63,1.0,0.7193218422315126,0.7228856829552464,0.5023302035501337,0.44195051744225894,0.5966220615447879
EOS-3-30544,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)ccc1F,NRVYNYWFRPFTED-UHFFFAOYSA-N,3,1,0.451,11,503,426.455,4.317,5,0.402,0.72,0.999,0.7344595983825646,0.6171526968679323,0.5537574532245905,0.5542286340895072,0.6148995956411486
EOS-3-30545,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cncn1C,UKECFUPEIWXAPB-UHFFFAOYSA-N,3,1,0.462,16,591,447.886,3.828,5,0.365,0.69,1.0,0.6737115345075732,0.5312692755808375,0.6854396545815914,0.5639949283805086,0.6136038482626276
EOS-3-30546,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn1,HXVXOTXEBFTDQF-UHFFFAOYSA-N,3,1,0.522,75,496,454.881,3.79,5,0.356,0.69,1.0,0.9004266328558701,0.917834624083339,0.6963967514221096,0.6803851689397574,0.798760794325269
EOS-3-30547,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)s1,DNBRLDAZUVZJNS-UHFFFAOYSA-N,3,1,0.494,55,142,420.433,3.126,5,0.4,0.73,1.0,0.5142039613460352,0.45937564251936125,0.262507710232335,0.24274381468028236,0.3697077821945034
EOS-3-30548,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)c(F)c2)n(C)n1,BVZPAQJHRJFRLZ-UHFFFAOYSA-N,3,1,0.315,94,615,464.468,3.553,6,0.389,0.64,0.992,0.2397025563703653,0.26843602220546914,0.2127681447467617,0.24842368583373312,0.2423326022890823
EOS-3-30549,Clc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)ccn1,HUELVUCPHISQLV-UHFFFAOYSA-N,3,1,0.57,87,307,429.871,3.918,5,0.378,0.67,1.0,0.6675690494140224,0.727460420807347,0.5600198752655746,0.5891302857926118,0.636044907819889
EOS-3-30550,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)nc1,UZQYXENCZUSRLJ-UHFFFAOYSA-N,3,1,0.304,70,392,437.492,3.772,6,0.414,0.6,0.987,0.05643033376739086,0.08515523267767802,0.32135391679802616,0.29612432321293947,0.1897659516140086
EOS-3-30551,FC(F)c1nnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)o1,XEJQVYHBZMNENH-UHFFFAOYSA-N,3,1,0.518,27,343,456.8,3.801,5,0.376,0.69,1.0,0.6461774381468028,0.722894249880063,0.5469467479953396,0.5411469398944555,0.6142913439791653
EOS-3-30552,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccc(C)c5Cl)cn4)n23)cc1,LBELLJXPJYJJJV-UHFFFAOYSA-N,3,1,0.427,62,637,470.92,4.967,5,0.39,0.83,1.0,0.7870005482831882,0.5596257967240079,0.7523816050990336,0.6484648070728531,0.6868681892947708
EOS-3-30553,N#Cc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cnn2)c1,FGDVMGHEFPSBFH-UHFFFAOYSA-N,3,1,0.406,54,348,440.854,3.747,5,0.406,0.59,1.0,0.7842162977177712,0.8089661435131246,0.7065999588787609,0.7459821122609828,0.76144112809266
EOS-3-30554,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c(F)c1,PZEABGRFDSUIDM-UHFFFAOYSA-N,3,1,0.461,73,772,453.84,4.097,5,0.398,0.64,1.0,0.8575920087725311,0.7630045918717018,0.8988331848399699,0.890651771640052,0.8525203892810637
EOS-3-30555,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)nn1)N1CCOCC1,QPDHPWDRRWFOCD-UHFFFAOYSA-N,3,1,0.37,52,229,483.467,2.317,6,0.379,0.78,1.0,0.05989137139332465,0.01223356863820163,0.006236721266534165,0.028570694263587142,0.0267330888904119
EOS-3-30556,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5F)cnn4)n23)nc1,VENRAUPCIHABSZ-UHFFFAOYSA-N,3,1,0.386,33,760,474.46,1.845,5,0.374,0.68,1.0,0.25830991707216777,0.18914913302720857,0.12071653759166609,0.0587862380919745,0.15674045644575424
EOS-3-30557,CCc1cnccc1COc1cncc2nnc(-c3cc(-c4ccc(C)nn4)ncn3)n12,ALGACBLTQHZPSS-UHFFFAOYSA-N,3,1,0.396,31,395,425.456,2.883,5,0.405,0.66,0.634,0.3038859570968405,0.08840209718319512,0.1561921732574875,0.10031012267836338,0.16219758755397162
EOS-3-30558,O=c1[nH]c(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1ccnc(F)c1,IZJVJQRTVJBJII-UHFFFAOYSA-N,3,1,0.624,11,660,446.417,3.441,5,0.401,0.65,0.997,0.4718148173531629,0.3243866081831266,0.8033805085326571,0.8056336097594408,0.6013038859570968
EOS-3-30559,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)nc1F,VWGHXLPEEWWQBO-UHFFFAOYSA-N,3,1,0.505,26,1,447.449,3.969,5,0.351,0.71,1.0,0.6287951476937839,0.4769292714687136,0.6111215817969982,0.5831077376464944,0.5749884346514975
EOS-3-30560,OCc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5cncs5)c4)n23)cn1,XHNVEEZDADUKDW-UHFFFAOYSA-N,3,1,0.462,55,879,435.444,2.915,5,0.405,0.65,1.0,0.6202881913508327,0.6453807141388527,0.4952110890274827,0.4166352546090056,0.5443788122815434
EOS-3-30561,Cc1c(F)ccnc1-c1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)s1,IMNNXYMYQHSJNC-UHFFFAOYSA-N,3,1,0.352,52,582,471.521,4.317,6,0.41,0.68,1.0,0.165024672743472,0.22271434445891303,0.16261736686998834,0.22486464258789665,0.19380525666506748
EOS-3-30562,Cc1ncc(-c2cnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)o1,LPTUENNXSBDFGR-UHFFFAOYSA-N,3,1,0.456,18,578,434.847,3.215,5,0.371,0.66,1.0,0.597868549105613,0.5596343636488246,0.2445942704406826,0.24536529367418272,0.4118656192173258
EOS-3-30563,COc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(C)nc5)n34)ncn2)cn1,ZSWAHOXKSXSBLB-UHFFFAOYSA-N,3,1,0.379,7,113,428.416,1.724,5,0.39,0.61,0.996,0.457525186758961,0.1197570420121993,0.07549174148447674,0.024724145020903296,0.16937452881913506
EOS-3-30564,Cc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cc(F)ccn5)c4)n23)n1,WBAFIKMMOUNOSG-UHFFFAOYSA-N,3,1,0.458,87,307,427.443,3.712,5,0.408,0.67,1.0,0.752450140497567,0.6403347954218354,0.4918357206497156,0.4608577205126448,0.5863695942704407
EOS-3-30565,COc1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1cccc(F)n1,LHYKVOGWZVBCRE-UHFFFAOYSA-N,3,1,0.436,4,224,445.458,3.622,5,0.369,0.69,1.0,0.5247669796449866,0.46810533890754574,0.4608063189637448,0.31802994996915906,0.44292714687135903
EOS-3-30567,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)cnc1Cl,XHZHQVDTYWWURV-UHFFFAOYSA-N,3,1,0.44,46,181,433.834,4.015,5,0.386,0.66,1.0,0.7100695634295113,0.607566307998081,0.7222003289699129,0.7355047632101981,0.6938352409019259
EOS-3-30568,Fc1cc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)cnc1Cl,SUDHBAIXQLAEBF-UHFFFAOYSA-N,3,1,0.5,16,817,433.834,4.015,5,0.386,0.66,1.0,0.8194863271879926,0.7676221643478857,0.8385477349050785,0.8344527448427113,0.815027242820917
EOS-3-30569,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3cnc(-c4cccnc4F)nc3)n12,IKFQJFPKAMUQIY-UHFFFAOYSA-N,3,1,0.31,42,615,466.415,3.441,6,0.36,0.66,0.997,0.3241638681378932,0.38646254540470154,0.5798094715920773,0.6104704955109314,0.47522659516140087
EOS-3-30570,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cn2)nn1,PFWLXXPBBAVVRC-UHFFFAOYSA-N,3,1,0.554,84,672,445.433,3.851,5,0.392,0.64,1.0,0.8687975464327325,0.9009577821945035,0.6774124460283737,0.6513689945857035,0.7746341923103284
EOS-3-30571,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nc2F)nn1C,LXCVRPHYMQHENT-UHFFFAOYSA-N,3,1,0.516,31,814,431.435,2.446,5,0.377,0.67,0.993,0.4867298334589816,0.41020149407168804,0.047726338153656366,0.043811253512439176,0.2471172297991913
EOS-3-30572,CC(C)(O)c1ncc(-c2nnc3cncc(Cc4ccc(-c5nnc6ccccn56)s4)n23)cn1,AEGMUSUFKUJHQF-UHFFFAOYSA-N,3,1,0.273,85,60,469.534,3.171,6,0.409,0.66,1.0,0.16767185251182234,0.11346891919676513,0.0755003084092934,0.05044205332054006,0.10177078335960524
EOS-3-30573,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4cnc(-c5ccc(F)nn5)nc4)n23)ncn1,NFURPRHRBOQTRH-UHFFFAOYSA-N,3,1,0.267,99,841,453.405,1.43,6,0.381,0.58,0.936,0.16768041943663903,0.15628640943047084,0.04148104996230553,0.05440853951065725,0.10496410458501818
EOS-3-30574,CCn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1,PHSKUNXLZBGVFX-UHFFFAOYSA-N,3,1,0.524,13,145,435.85,4.655,5,0.399,0.73,1.0,0.5221197998766363,0.6358971283668015,0.6140600370091152,0.6685456788431224,0.6101556610239188
EOS-3-30575,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cc2)no1,AASXWDBLXFYMPQ-UHFFFAOYSA-N,3,1,0.354,42,983,423.461,4.632,6,0.408,0.76,1.0,0.18730724419162498,0.14842197244876978,0.49184428757453225,0.5044805016791173,0.33301350147351105
EOS-3-30576,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)s5)n34)cc2)nc1,NHBPAPGYTPVGGZ-UHFFFAOYSA-N,3,1,0.343,38,126,423.461,4.632,6,0.408,0.76,1.0,0.19846138030292645,0.22786306627373037,0.36220958124871494,0.4069888972654376,0.2988807312727023
EOS-3-30577,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1ncccn1,AQYDQTXEGGUJTH-UHFFFAOYSA-N,3,1,0.434,87,779,461.873,2.717,5,0.357,0.67,1.0,0.6005585634980467,0.5685011308340758,0.10410527037214722,0.09417620450962923,0.34183529230347476
EOS-3-30578,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(=O)[nH]c5F)cnn4)n23)cc1,KWUJOKBOVMSPHW-UHFFFAOYSA-N,3,1,0.33,62,124,442.414,2.102,5,0.408,0.62,0.821,0.3294153930505106,0.28377938455212115,0.48519635391679805,0.4069974641902543,0.37634714892742105
EOS-3-30579,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cc(F)n1,JFIYAHFVZDJFEV-UHFFFAOYSA-N,3,1,0.457,87,822,428.431,3.107,5,0.38,0.68,1.0,0.6148139263929819,0.5887876087999452,0.4209015831677061,0.36612466588993214,0.4976569460626414
EOS-3-30580,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)c1,ATQABFISYLQMLP-UHFFFAOYSA-N,3,1,0.553,18,181,413.416,3.404,5,0.421,0.77,1.0,0.6616064697416215,0.5837845247070111,0.5702059488725927,0.5672503598108423,0.595711825783017
EOS-3-30581,Cc1nn(C)c(C)c1-c1nnc(-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)s1,LGXUEONOXKJBRS-UHFFFAOYSA-N,3,1,0.281,50,542,439.455,3.66,5,0.421,0.63,0.039,0.07305873483654307,0.13015728873963403,0.1065554108697142,0.12918065931053388,0.1097380234391063
EOS-3-30583,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)nn5)n34)nc2F)nc1,YIYYVCPXUQHERZ-UHFFFAOYSA-N,3,1,0.372,51,62,450.825,2.508,5,0.368,0.62,0.997,0.6344493180727846,0.6259252278802001,0.09182030018504557,0.1251627715715167,0.3693394044273867
EOS-3-30584,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(Oc4cnc(C)cn4)cc3)n12,ZMYQZAJFWSPERA-UHFFFAOYSA-N,3,1,0.34,8,474,476.504,4.022,6,0.351,0.83,1.0,0.11295490370776506,0.14843053937358647,0.08958433280789528,0.09230861489959565,0.11081959769721061
EOS-3-30585,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5cncc(=O)n5C)no4)n23)cn1,GIMSIIQKEPMFDN-UHFFFAOYSA-N,3,1,0.281,86,812,453.426,1.397,6,0.383,0.63,0.988,0.14852477554656981,0.09134911932012885,0.02033787951476938,0.018050510588719072,0.06956557124254678
EOS-3-30586,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnn5)n4)n23)cn1,LHGZZXZBUDWKOO-UHFFFAOYSA-N,3,1,0.447,7,535,434.37,2.345,5,0.392,0.6,1.0,0.5804005894044274,0.5131844972928518,0.41716640394763893,0.34337091357686245,0.4635306010554451
EOS-3-30587,FC(F)(F)c1ccc(-c2nnc3cncc(CCc4ccc(-c5nncs5)cc4)n23)cn1,QSUQJGMBIIKVMM-UHFFFAOYSA-N,3,1,0.455,14,886,453.453,4.509,5,0.39,0.71,1.0,0.3850918374340347,0.5405815228565554,0.8771074635049003,0.7760691522171201,0.6447124940031526
EOS-3-30588,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n1,ZPLLWKYHFGGVNA-UHFFFAOYSA-N,3,1,0.505,65,981,445.874,3.017,5,0.363,0.64,1.0,0.7130508532657117,0.8491450209032966,0.2020166541018436,0.22214892742101294,0.4965903639229662
EOS-3-30589,Cn1nccc1-c1ccnc(COc2cncc3nnc(-c4cncnc4-c4ccccc4)n23)n1,ZQTDQFGBIPHCJP-UHFFFAOYSA-N,3,1,0.392,28,59,462.477,3.018,6,0.367,0.67,0.998,0.3461551641422795,0.1847971352203413,0.12615653485025016,0.12057946679459941,0.19442207525186758
EOS-3-30590,COc1cc(-c2cnc(C)nn2)ccc1-c1nnc2cncc(Oc3ccc(F)c(Cl)c3)n12,IFONYJNCENOEEC-UHFFFAOYSA-N,3,1,0.558,13,374,463.86,4.545,5,0.374,0.73,1.0,0.8091888835583579,0.7367384003837982,0.7476869302994997,0.697390514700843,0.7477511822356249
EOS-3-30591,COc1cc(-c2nnc3cncc(Oc4ncc(-c5ccc(C)nn5)cc4F)n23)ccc1Cl,XMNXXYOWMHKHRB-UHFFFAOYSA-N,3,1,0.4,13,706,463.86,4.545,5,0.374,0.73,1.0,0.7435919402371325,0.8388133095743951,0.7117486806935782,0.627912754437667,0.7305166712356932
EOS-3-30592,Cc1ccc(Oc2cncc3nnc(-c4ccc(-c5cc(C)n(C)n5)cc4F)n23)c(F)n1,ILNZZEHNCDIRAC-UHFFFAOYSA-N,3,1,0.422,13,374,433.422,4.274,5,0.394,0.72,1.0,0.5274484271126036,0.5732129394832431,0.6718525118223563,0.5542372010143239,0.5816877698581318
EOS-3-30593,Cn1nncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c1,MAMMRKHGZDZECP-UHFFFAOYSA-N,3,1,0.684,59,96,453.84,4.097,5,0.398,0.66,1.0,0.710078130354328,0.7676307312727023,0.8940442738674526,0.9037163319854705,0.8188673668699884
EOS-3-30594,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)n1,JFPOLQSLBXNQLO-UHFFFAOYSA-N,3,1,0.4,51,185,420.824,2.302,5,0.425,0.7,1.0,0.47697210609279694,0.5837930916318278,0.0820197381947776,0.0941847714344459,0.30924242683846204
EOS-3-30595,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)ccn1,QDHRDCVOFYCZKW-UHFFFAOYSA-N,3,1,0.456,18,840,431.406,3.543,5,0.38,0.65,1.0,0.7100866972791446,0.5934223151257625,0.740173737235282,0.7355133301350147,0.694799019943801
EOS-3-30596,COCc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C(F)F)cn4)n23)cn1,NMVFEKAQYAMWKC-UHFFFAOYSA-N,3,1,0.349,50,243,434.41,3.653,5,0.402,0.63,1.0,0.28240010965663764,0.3196747995339593,0.6470169967788363,0.5347131793571379,0.4459512713316428
EOS-3-30597,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)nc2)nc1,SDDQXJHIAHZGKF-UHFFFAOYSA-N,3,1,0.444,73,263,466.839,3.591,5,0.374,0.66,1.0,0.8733465835103831,0.8726440956754163,0.6257367555342335,0.6628572407648551,0.758646168871222
EOS-3-30598,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)nc1F,LLSRQQSEDUGPLF-UHFFFAOYSA-N,3,1,0.408,53,602,451.853,2.791,5,0.362,0.64,1.0,0.5274569940374203,0.5312778425056541,0.24827804811184978,0.2812178740319375,0.39705768967171545
EOS-3-30599,Fc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4cccc(Cl)c4)c3)n12,ACGDZGQVPKDIFX-UHFFFAOYSA-N,3,1,0.563,35,884,446.873,4.662,5,0.377,0.73,1.0,0.8396100335823453,0.9080169282434377,0.8621153450757316,0.8893838667671853,0.874781543417175
EOS-3-30600,COc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C)c(F)c5)n34)cc2F)cn1,ZLQHSHFGPXHLRA-UHFFFAOYSA-N,3,1,0.506,97,744,460.444,4.423,5,0.371,0.73,1.0,0.8038259886231238,0.7759920498937701,0.8691487903502159,0.7664741964224522,0.8038602563223906
EOS-3-30601,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)ccn1,GFLXQGMXIARLEK-UHFFFAOYSA-N,3,1,0.529,58,28,431.406,3.543,5,0.38,0.66,1.0,0.9004351997806868,0.8784267699266671,0.6111301487218148,0.592351449523679,0.745585891988212
EOS-3-30602,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4F)nc3)n12,QJZZPSFYSKCAIX-UHFFFAOYSA-N,3,1,0.5,35,76,431.406,3.543,5,0.38,0.66,0.999,0.8791549585360839,0.8809197450483175,0.7117572476183949,0.6947519018573093,0.7916459632650265
EOS-3-30603,CCn1ncnc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)n1,OOINJBOCALGXSW-UHFFFAOYSA-N,3,1,0.309,30,371,445.49,4.194,6,0.392,0.68,0.998,0.0792012199300939,0.019464053183469263,0.10148379137824687,0.15530121307655403,0.08886256939209101
EOS-3-30604,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c(F)c2)cn1C,AJSHSEBGYQGFLT-UHFFFAOYSA-N,3,1,0.282,96,315,435.413,4.639,5,0.411,0.71,0.957,0.25053971626345006,0.3772274004523336,0.8917397710917689,0.8514323898293469,0.5927348194092249
EOS-3-30605,CCC(c1ncc(COc2cncc3nnc(-c4ccc(F)cn4)n23)cn1)c1nnc(C)o1,XZFOMMXFSFSIOT-UHFFFAOYSA-N,3,1,0.375,31,62,447.434,2.928,5,0.367,0.62,1.0,0.5168254403399356,0.40556678774587074,0.060945103145774795,0.04515626070865602,0.2571233979850593
EOS-3-30606,COCc1ncc(-c2nnc3cncc(-c4nn(C)cc4-c4ccccc4F)n23)cn1,QFJSGVJJZNCKQN-UHFFFAOYSA-N,3,1,0.359,50,844,416.42,2.934,5,0.435,0.69,1.0,0.21481563977794532,0.31441470769652524,0.2920121993009389,0.3151257624563087,0.28409207730792957
EOS-3-30607,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)c1,KZDFVMQYHURQTC-UHFFFAOYSA-N,3,1,0.378,25,791,465.908,4.364,6,0.381,0.71,1.0,0.12089644301281612,0.28378795147693786,0.46415598656706186,0.6011154136111302,0.3674889486669865
EOS-3-30608,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5Cl)n34)cn2)cn1,CJVYWNDDJSOHSY-UHFFFAOYSA-N,3,1,0.338,64,449,465.908,4.364,6,0.381,0.71,1.0,0.10768624494551436,0.21723151257624562,0.4501833321910767,0.5411555068192722,0.32906414913302723
EOS-3-30609,Cc1cc(F)cc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5C)c4)n23)n1,FRWKHXIXCWEVJE-UHFFFAOYSA-N,3,1,0.506,11,275,440.482,4.626,5,0.383,0.78,1.0,0.7316753478171476,0.6698821191145227,0.6525769309848537,0.6074292372010143,0.6653909087793846
EOS-3-30610,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)c1,HHUXLFZTHISINZ-UHFFFAOYSA-N,3,1,0.344,9,894,418.42,3.965,6,0.423,0.71,1.0,0.2039356452607772,0.18915769995202522,0.5198409978754026,0.5145809060379686,0.3568788122815434
EOS-3-30611,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cccnn6)n5)n34)cc2)nc1,HFRWVGANAGUDCZ-UHFFFAOYSA-N,3,1,0.484,81,117,460.461,3.074,6,0.365,0.62,1.0,0.46689740250839556,0.37219004866013294,0.1723151257624563,0.1905198409978754,0.30048060448221503
EOS-3-30612,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(C)nc5)n34)nc(C)n2)nn1,VZLNGKFQNULHIG-UHFFFAOYSA-N,3,1,0.404,31,851,440.471,2.375,5,0.388,0.59,0.629,0.49413165650058255,0.14466965937906928,0.034567541635254606,0.017425125077102324,0.1726984956480022
EOS-3-30613,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4cnc(F)cn4)n23)c1,NIDDWXZVLLMWPN-UHFFFAOYSA-N,3,1,0.462,36,931,417.408,2.578,5,0.415,0.68,1.0,0.3191950517442259,0.32439517510794325,0.1318621067781509,0.12716743197861696,0.22565494140223424
EOS-3-30614,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cs1,OULPRMUNZWRNIE-UHFFFAOYSA-N,3,1,0.62,59,294,436.447,4.475,5,0.404,0.75,1.0,0.7642553628949352,0.6746538962374066,0.807432663970941,0.7664827633472688,0.7532061716126379
EOS-3-30615,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cc(Cl)ccc5F)n4)n23)cc1,SGRVLKLISPJKLV-UHFFFAOYSA-N,3,1,0.325,8,973,472.875,3.627,6,0.386,0.68,0.998,0.07493489137139332,0.27355904324583646,0.3509612089644301,0.48546192858611475,0.29622926804194366
EOS-3-30616,Clc1ccc(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)nn1,CTQRNFRRDQIYHS-UHFFFAOYSA-N,3,1,0.518,72,418,421.873,3.937,5,0.424,0.68,1.0,0.4841940237132479,0.5685096977588925,0.41717497087245564,0.4640360496196285,0.48347868549105616
EOS-3-30617,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)ncn2)n1,DLGQSWLIZJMCIQ-UHFFFAOYSA-N,3,1,0.392,33,760,430.392,-0.155,5,0.378,0.63,0.159,0.22045267630731272,0.07815605510246042,0.008464121718867795,0.002287368926050305,0.0773400555136728
EOS-3-30618,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)nc5)nc4)n23)cc1,BFGGRZPMBCIKTG-UHFFFAOYSA-N,3,1,0.31,42,106,463.48,4.333,6,0.351,0.74,1.0,0.2610770337879515,0.27862209581248715,0.5129788910972517,0.49133883901034886,0.3860042149270098
EOS-3-30619,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cncc(-c4ccc(F)nc4)c3)n12,KCVDPEWCOMCFSM-UHFFFAOYSA-N,3,1,0.495,87,349,430.447,3.051,5,0.382,0.68,1.0,0.3962631073949695,0.4415564389006922,0.35096977588924677,0.30888047426495785,0.37441744911246655
EOS-3-30621,Fc1cc(-c2nnc3cncc(OCc4cnnc(-c5cncs5)c4)n23)ccc1Cl,PRZHKLBKJBQURV-UHFFFAOYSA-N,3,1,0.568,16,391,439.863,4.076,5,0.407,0.67,1.0,0.8865824823521349,0.9233859913645398,0.7066085258035776,0.7459906791857994,0.815641919676513
EOS-3-30622,Cc1cccc(-c2nc(C)sc2-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,WRCFODGEAKMFMS-UHFFFAOYSA-N,3,1,0.297,62,302,466.57,5.091,6,0.39,0.85,0.997,0.06913508327050921,0.06753306832979233,0.1318706737029676,0.19052840792269207,0.1147668083064903
EOS-3-30623,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)nc2)c1,MSZIQPHIGBQBBY-UHFFFAOYSA-N,3,1,0.28,69,174,434.488,4.434,6,0.405,0.68,1.0,0.049705297786306626,0.10742923720101433,0.4679511342608457,0.4913474059351655,0.27910826879583306
EOS-3-30624,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)nc1,WMPZVCGOHCXQFE-UHFFFAOYSA-N,3,1,0.303,64,114,434.488,4.434,6,0.405,0.68,0.995,0.06515146323075868,0.1007299019943801,0.25193612500856694,0.32407819888972655,0.18547392228085807
EOS-3-30625,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(CO)cn5)ccc4Cl)n23)cn1,AXCXIRBNZKEYEV-UHFFFAOYSA-N,3,1,0.484,1,214,458.909,4.281,5,0.405,0.71,1.0,0.7842248646425879,0.8053766020149408,0.8227674593927764,0.7640154890000685,0.7940961037625934
EOS-3-30626,Cc1ncc(-c2ccnc(-c3nnc4cncc(CCc5nc6c(F)cccn6n5)n34)c2)o1,YSNXYDOFCOMHKU-UHFFFAOYSA-N,3,1,0.321,85,580,441.43,3.117,6,0.401,0.63,0.103,0.2505482831882667,0.3042800356384072,0.07550887533411006,0.11599616201768213,0.18658333904461655
EOS-3-30627,Cc1cc(-c2nnc3cncc(Cc4cnc(Cl)cn4)n23)c(-c2cnc(Cl)nc2)cn1,XSCSGVJEOPKYFY-UHFFFAOYSA-N,3,1,0.321,85,674,450.293,3.639,5,0.382,0.63,1.0,0.35280309780001373,0.3436279213213625,0.4133112877801384,0.4734082653690631,0.39578764306764447
EOS-3-30628,Cc1cnc(-c2cc(-c3nnc4cncc(CCc5nc(C)cc(C)n5)n34)ncn2)cn1,HMZWLDUABAONAH-UHFFFAOYSA-N,3,1,0.283,31,296,424.472,2.539,5,0.419,0.67,0.455,0.11852340483859913,0.02404735796038654,0.018521691453635802,0.010742923720101433,0.04295884449318073
EOS-3-30629,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)ccc1Cl,SMCILQKOGOETNL-UHFFFAOYSA-N,3,1,0.484,4,633,441.842,3.142,5,0.404,0.59,0.998,0.6917277773970255,0.9033736549928038,0.6020834761154136,0.6136659584675485,0.7027127167431979
EOS-3-30630,Cc1csc(-c2ncccc2-c2nnc3cncc(-c4cnc(-c5ccccn5)nc4)n23)n1,NZQNYMBYNRPTLC-UHFFFAOYSA-N,3,1,0.299,32,935,449.503,4.137,6,0.395,0.66,0.998,0.05989993831814132,0.107437804125831,0.0989479816325132,0.11120725104516482,0.09437324378041259
EOS-3-30631,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2C)cn1,OQMOZRXOAJIKNP-UHFFFAOYSA-N,3,1,0.41,31,569,449.906,3.078,5,0.352,0.67,1.0,0.2230398876019464,0.15234562401480364,0.10656397779453088,0.11366595846754848,0.14890386196970734
EOS-3-30632,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)c1,CRNXCJQXZCSAKV-UHFFFAOYSA-N,3,1,0.358,3,615,465.427,4.046,6,0.384,0.65,1.0,0.33178843122472756,0.40090638064560347,0.742829483928449,0.7947621821670893,0.5675716194914674
EOS-3-30633,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccncc6)n5)n34)cc2)cc1F,MCUJZMZLULOIFR-UHFFFAOYSA-N,3,1,0.351,42,186,465.427,4.046,6,0.384,0.65,1.0,0.35981940922486466,0.3957148242067028,0.6964053183469262,0.7246504694674799,0.5441475053114934
EOS-3-30634,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nc(C)n2)cn1,NNKGWVBXRINYJZ-UHFFFAOYSA-N,3,1,0.418,7,113,450.915,3.949,5,0.396,0.66,1.0,0.4917414844767322,0.5268915769995203,0.21609211157562883,0.20157974093619355,0.3590762284970187
EOS-3-30635,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c(F)c2)nc1=O,NOQISMKSUQVZNB-UHFFFAOYSA-N,3,1,0.536,59,16,465.395,2.943,5,0.393,0.65,1.0,0.7757007744500034,0.7042783222534439,0.7090329655266946,0.7115259406483448,0.7251345007196217
EOS-3-30636,FC(F)c1cncc(-c2noc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)c1,BEUOWLBNVNXITM-UHFFFAOYSA-N,3,1,0.37,50,243,442.336,4.174,5,0.373,0.72,0.669,0.3012045096292235,0.4009149475704201,0.8605732986087314,0.8185096977588925,0.595300613391817
EOS-3-30637,Cc1ccc(-c2nn(C)c(C)c2-c2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cn1,GJBKGKYPVGUWAD-UHFFFAOYSA-N,3,1,0.318,70,812,460.505,3.723,6,0.391,0.63,1.0,0.04806044822150641,0.03768590226852169,0.12352648893153313,0.09829689534644644,0.07689243369200191
EOS-3-30638,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)ncc1Cl,ILJWELIQIIGVNB-UHFFFAOYSA-N,3,1,0.462,18,692,447.861,4.057,5,0.387,0.62,1.0,0.6859622369954081,0.6453892810636694,0.6257453224590501,0.6656157905558221,0.6556781577684875
EOS-3-30639,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,RSJDUHZYNAAEJQ-UHFFFAOYSA-N,3,1,0.523,4,506,434.912,4.851,5,0.393,0.77,1.0,0.6404118977451854,0.7042868891782605,0.5892159550407786,0.5800322116373107,0.6284867384003838
EOS-3-30640,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4cnn(Cc5ncc(F)cn5)n4)n23)nc1,REDDQLJRLWNUBZ-UHFFFAOYSA-N,3,1,0.296,33,432,463.412,1.121,5,0.376,0.6,0.976,0.1185319717634158,0.09135768624494552,0.024133027208553218,0.022222602974436297,0.06406132204783771
EOS-3-30641,Clc1ccc(COc2cncc3nnc(-c4cc(-c5ccccn5)cc(Cl)n4)n23)nc1,NTOUKQGIZJOPNM-UHFFFAOYSA-N,3,1,0.506,46,267,450.289,4.529,5,0.364,0.71,0.999,0.4553234870810774,0.5312864094304708,0.6470255637036529,0.729987663628264,0.5909057809608662
EOS-3-30643,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)c1,DTIZBDXYHVUEHJ-UHFFFAOYSA-N,3,1,0.534,26,448,435.488,4.158,5,0.398,0.71,1.0,0.3143290384483586,0.3818107052292509,0.3213624837228429,0.26943835240901925,0.3217351449523679
EOS-3-30644,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3ccnc(-c4nccnn4)c3)n12,QRHADRYWEFAMSX-UHFFFAOYSA-N,3,1,0.5,27,51,450.384,3.694,5,0.386,0.64,1.0,0.8372541292577617,0.8784353368514838,0.8385563018298952,0.7969467479953396,0.83779812898362
EOS-3-30645,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4ccc(C)nc4)n23)c1,YRKXJENDNFMWAY-UHFFFAOYSA-N,3,1,0.658,89,931,412.457,3.352,5,0.422,0.83,1.0,0.18731581111644163,0.0817027619765609,0.1755105887190734,0.12717599890343362,0.14292629017887737
EOS-3-30646,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)nc1,IDESVMPXKCAITI-UHFFFAOYSA-N,3,1,0.432,31,954,438.904,3.318,5,0.401,0.64,1.0,0.4794222465903639,0.472457336714413,0.19862415187444316,0.24275238160509904,0.3483140291960798
EOS-3-30647,Fc1ccccc1CCOc1cncc2nnc(-c3cncc(-c4ccc(Cl)nc4)c3)n12,PLJCHSUXGSOSGR-UHFFFAOYSA-N,3,1,0.662,84,884,446.873,4.662,5,0.353,0.78,1.0,0.859965046946748,0.9100130217257213,0.8663816736344322,0.8810739496950175,0.8793584230004797
EOS-3-30648,Cc1csc(-c2cc(F)cc(COc3cncc4nnc(-c5cnc(C)nc5)n34)c2)n1,KEUALEJHNLQGAF-UHFFFAOYSA-N,3,1,0.483,16,567,433.472,4.04,5,0.413,0.66,1.0,0.6120896443012817,0.5685182646837091,0.41331985470495514,0.3337759577821945,0.4819259303680351
EOS-3-30649,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)ncn1,RBDSQTUIWRMQIS-UHFFFAOYSA-N,3,1,0.381,7,94,431.847,2.974,5,0.413,0.56,1.0,0.4205503392502227,0.4283719416078404,0.2735076416969365,0.25148207799328354,0.3434780001370708
EOS-3-30650,Fc1cnc(-c2ncccc2F)cc1-c1nnc2cncc(OCCc3cncs3)n12,VVTDQXWHLDRXOJ-UHFFFAOYSA-N,3,1,0.517,75,583,437.435,3.605,5,0.401,0.63,1.0,0.7466074977725995,0.6942807209923926,0.4319614831060243,0.4762610513330135,0.5872776883010075
EOS-3-30651,Fc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)cnn3)n12,XGSOAJJTDPUDKN-UHFFFAOYSA-N,3,1,0.581,19,207,447.861,4.057,5,0.362,0.68,1.0,0.7285484202590639,0.7801812761291207,0.7352049208416147,0.7854071002672881,0.7573354293742718
EOS-3-30652,Fc1ccc(-c2nnc3cncc(OCc4nncnc4-c4ccccc4)n23)cc1F,ZTZMTPSHWMHUOU-UHFFFAOYSA-N,3,1,0.56,43,700,417.379,3.501,5,0.432,0.7,1.0,0.8920738811596189,0.835386539647728,0.6470341306284696,0.7056233294496608,0.7700294702213692
EOS-3-30653,CCc1nccc(-c2ncc(-c3nnc4cncc(-c5cnc(-c6nc(C)no6)cn5)n34)cn2)n1,OSLBEHGEHIAAQN-UHFFFAOYSA-N,3,1,0.253,86,513,464.453,2.416,6,0.367,0.63,1.0,0.14853334247138647,0.08516379960249469,0.011471112329518196,0.0068535398533342475,0.0630054485641834
EOS-3-30654,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,YXIMXHFRTWSALC-UHFFFAOYSA-N,3,1,0.309,30,498,453.466,3.968,6,0.395,0.67,1.0,0.05455417723254061,0.18071071208279077,0.3509783428140635,0.4854704955109314,0.2679284319100816
EOS-3-30655,Cn1nnc(-c2ncc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)s2)n1,QOJLPYIUQIWSMX-UHFFFAOYSA-N,3,1,0.321,94,507,457.458,2.701,6,0.393,0.6,0.998,0.11854053868823247,0.25301555753546706,0.05328627235967377,0.11121581796998149,0.1340145466383387
EOS-3-30656,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cc4F)n23)cn1,GYQBIEWJPXYFIO-UHFFFAOYSA-N,3,1,0.5,72,433,413.416,3.67,5,0.434,0.8,1.0,0.8623552189705983,0.7630131587965184,0.6964138852717429,0.6309968473716675,0.7381947776026317
EOS-3-30657,Clc1ccc(Oc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c(Cl)c1,BCUVPKPNOPMMSH-UHFFFAOYSA-N,3,1,0.568,13,145,425.235,4.94,5,0.403,0.79,1.0,0.7100952642039613,0.7135820026043451,0.8262370639435268,0.8711877184565828,0.7802755123021041
EOS-3-30658,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5cccs5)c4)n23)nc1,KNBJDCJSOUBALA-UHFFFAOYSA-N,3,1,0.265,94,892,423.465,3.558,6,0.427,0.67,0.854,0.013886985127818519,0.03769446919333836,0.17870605167569048,0.22215749434582963,0.11311125008566925
EOS-3-30659,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)cnn4)n23)cn1,XLOLUBRRQPSECV-UHFFFAOYSA-N,3,1,0.448,55,959,418.367,2.896,5,0.402,0.68,1.0,0.6120982112260983,0.495202522102666,0.6774210129531903,0.6568689603180042,0.6103976766499897
EOS-3-30660,Cc1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cnc(F)cn5)cn4)n23)cn1,AKIWHXGUTVIWEM-UHFFFAOYSA-N,3,1,0.4,85,290,416.395,3.216,5,0.444,0.66,1.0,0.37833253375368375,0.4415650058255089,0.5768624494551435,0.5542457679391406,0.48775143924336917
EOS-3-30661,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)cn5)nc4)n23)ccc1Cl,DKAKNUCQNTZOEL-UHFFFAOYSA-N,3,1,0.529,55,863,465.304,4.233,5,0.38,0.7,1.0,0.8512267836337468,0.8965800836131862,0.5600284421903914,0.6164159413336988,0.7310628126927559
EOS-3-30662,COCc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,ZUUHUXHWAYABSH-UHFFFAOYSA-N,3,1,0.402,20,658,441.455,2.201,5,0.354,0.62,1.0,0.31433760537317523,0.12692755808375025,0.15014392433692003,0.11122438489479816,0.1756583681721609
EOS-3-30663,Cc1cc(Cl)ccc1-c1nnc2cncc(Oc3ccc(-c4nccn4C)nn3)n12,DRIHPRRVQFSUKN-UHFFFAOYSA-N,3,1,0.388,36,706,418.848,3.736,5,0.438,0.74,1.0,0.4646357343567953,0.5934308820505791,0.3177044068261257,0.34025255294359535,0.42900589404427386
EOS-3-30664,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cnn2)nn1,DSHZRVVUJRVYCA-UHFFFAOYSA-N,3,1,0.268,98,882,422.416,1.829,6,0.45,0.62,1.0,0.04082996367623878,0.03482454937975464,0.10928825988623124,0.11820642862038243,0.07578730039065178
EOS-3-30665,COc1cc(-c2nnc3cncc(OCCc4ccnc(C)n4)n23)ccc1-c1cscn1,KHLRYIJMGUTYIY-UHFFFAOYSA-N,3,1,0.516,15,777,445.508,3.643,5,0.374,0.66,1.0,0.5426889863614557,0.3818192721540676,0.22304845452676308,0.12918922623535056,0.31918648481940926
EOS-3-30666,CC#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4F)n23)cn1,FMQPOVHIQRNMRN-UHFFFAOYSA-N,3,1,0.456,92,815,440.442,3.071,5,0.388,0.64,1.0,0.4917500514015489,0.5501250771023234,0.5892245219655953,0.46086628743746144,0.5229914844767323
EOS-3-30667,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cnnc(-c5nccs5)n4)n23)nc1,GPWFOJREDRVXMR-UHFFFAOYSA-N,3,1,0.276,86,892,437.452,2.619,6,0.405,0.6,0.361,0.04806901514632308,0.09747447056404633,0.029650126790487286,0.0464927009800562,0.05542157837022822
EOS-3-30668,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4c(F)cccc4Cl)n23)nc1,RWQZHJBYXLKVIW-UHFFFAOYSA-N,3,1,0.412,13,412,421.823,4.172,5,0.433,0.71,1.0,0.667577616338839,0.7089558632033446,0.6613237612226716,0.6833835926255911,0.6803102083476116
EOS-3-30669,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)nn1,MTTCFWOQJYVGCU-UHFFFAOYSA-N,3,1,0.441,53,411,445.874,3.017,5,0.363,0.66,0.954,0.6036769241313138,0.5934394489753958,0.10411383729696388,0.12280686724693304,0.35600926941265165
EOS-3-30670,Fc1ccc(-c2c(F)ccnc2F)cc1COc1cncc2nnc(-c3ncccn3)n12,FZFMMBDVPMIVQD-UHFFFAOYSA-N,3,1,0.427,59,242,435.369,3.64,5,0.389,0.63,1.0,0.787009115208005,0.6307912411760674,0.8318998012473443,0.8283530943732438,0.7695133130011651
EOS-3-30671,Fc1cc(F)c(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)cc1F,SDIVVOUPXMLGKR-UHFFFAOYSA-N,3,1,0.542,59,962,434.381,4.245,5,0.385,0.69,1.0,0.884929065862518,0.8784439037763004,0.9593328078952779,0.9514769378383935,0.9185456788431224
EOS-3-30672,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c(F)c2)n[nH]1,QUUWEUPYDUVLOH-UHFFFAOYSA-N,3,1,0.474,11,490,463.86,3.351,5,0.411,0.67,1.0,0.7466160646974163,0.7229028168048797,0.6440100061681858,0.6918391474196423,0.701342008772531
EOS-3-30673,Cc1ncsc1CCOc1cncc2nnc(-c3ccc(-c4nccn4C)c(F)c3)n12,HWCMFOGUDNQNQQ-UHFFFAOYSA-N,3,1,0.565,37,353,435.488,3.717,5,0.404,0.67,1.0,0.6949061065040093,0.7042954561030772,0.22666369679939688,0.21651189089164555,0.4605942875745322
EOS-3-30674,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cn1,FALAYFOMXVXGJM-UHFFFAOYSA-N,3,1,0.455,2,36,436.838,3.353,5,0.39,0.64,1.0,0.537497429922555,0.4812555685011308,0.7274175861832637,0.6861849770406415,0.6080888904118977
EOS-3-30675,Cc1cnnc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ccn2)n1,BTVYBISVCZFBHJ-UHFFFAOYSA-N,3,1,0.4,75,420,417.82,3.187,5,0.434,0.71,1.0,0.535047289424988,0.5360410527037215,0.17551915564389006,0.21067781509149475,0.36432132821602353
EOS-3-30676,c1cncc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1,MNSUZLKNRPKVQH-UHFFFAOYSA-N,3,1,0.338,69,30,427.471,4.977,6,0.395,0.78,1.0,0.15139469536015351,0.15995305325200465,0.7042611884038106,0.7219861558494962,0.4343987732163662
EOS-3-30677,CCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)[nH]n2)nc1,IESLJCQIJWVABR-UHFFFAOYSA-N,3,1,0.424,55,963,432.875,3.766,5,0.407,0.65,0.899,0.43656192173257485,0.3721986155849496,0.45729387978891095,0.41664382153382223,0.4206745596600644
EOS-3-30678,Fc1cnc(-c2cnc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)nc1,ZQMGCNDSAXRAKG-UHFFFAOYSA-N,3,1,0.478,18,263,450.384,3.077,5,0.389,0.57,1.0,0.8512353505585635,0.7886796655472551,0.608183126584881,0.622318552532383,0.7176041738057707
EOS-3-30679,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nc(C)no6)n5)n34)cn2)nn1,LAJYXAUJSKDZKH-UHFFFAOYSA-N,3,1,0.317,76,368,448.45,3.372,6,0.395,0.6,1.0,0.15687752724282092,0.12693612500856694,0.08202830511959427,0.07216777465560963,0.10950243300664794
EOS-3-30680,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)cc2)cc1F,MCAIMTIHTDWPCJ-UHFFFAOYSA-N,3,1,0.321,25,228,462.492,4.763,6,0.375,0.76,1.0,0.18440305667877457,0.29930265231992326,0.685448221506408,0.7194674799533959,0.4721553526146255
EOS-3-30681,Cn1nccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)ccn1,CDCWFTQSEDFBIR-UHFFFAOYSA-N,3,1,0.357,32,20,448.465,4.455,6,0.396,0.68,1.0,0.1514032622849702,0.2530241244602837,0.6663953807141388,0.6743540538688233,0.436294205332054
EOS-3-30682,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)cc2)n1,LURKLTHTECPIRX-UHFFFAOYSA-N,3,1,0.404,67,870,464.493,3.483,6,0.381,0.67,1.0,0.27412446028373655,0.16393667329175518,0.15324515112055376,0.1160047289424988,0.17682775340963608
EOS-3-30683,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccc2F)cn1,WEMDHOQVLVBRQS-UHFFFAOYSA-N,3,1,0.477,51,388,450.865,3.836,5,0.388,0.66,1.0,0.57478925364951,0.6025460900555136,0.4952196559522994,0.5110341991638682,0.5458972997052978
EOS-3-30684,CCn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5CC)nc4)n23)cn1,PCZJNWDMEPSCRZ-UHFFFAOYSA-N,3,1,0.261,70,812,463.509,3.41,6,0.369,0.68,0.993,0.13999211842916867,0.05594201905284079,0.06095367007059146,0.05441710643547392,0.07782622849701872
EOS-3-30685,COc1ncc(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)cc1-c1ccc(F)nc1,YFQNGLRRCRLSDS-UHFFFAOYSA-N,3,1,0.386,14,358,446.873,4.64,5,0.366,0.76,1.0,0.5068192721540675,0.6453978479884861,0.835283736549928,0.8242923720101433,0.7029483071756563
EOS-3-30686,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,MWQGEMJDNYDOLY-UHFFFAOYSA-N,3,1,0.566,35,619,414.404,2.799,5,0.418,0.75,1.0,0.8441933383592626,0.8942070454389692,0.4987320951271332,0.4791738057706806,0.6790765711740114
EOS-3-30687,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)nn5)ncn4)n23)cn1,MIRQLILGUPPBHM-UHFFFAOYSA-N,3,1,0.447,4,617,422.412,2.192,5,0.414,0.63,1.0,0.532340141182921,0.5685268316085258,0.23410835446508121,0.1795798780069906,0.3786388013158797
EOS-3-30688,NC(=O)c1ccc(-c2nnc3cncc(CCCc4ccc(F)c(Cl)c4)n23)cc1,ROURGXOJFDESLS-UHFFFAOYSA-N,3,1,0.75,48,646,409.852,3.858,4,0.524,0.8,1.0,0.5068278390788843,0.4998115276540333,0.6910424234116921,0.721994722774313,0.6049191282297307
EOS-3-30689,Cc1cnc(COc2cncc3nnc(-c4cc(F)cc(-c5cnc(C)o5)c4)n23)nc1,GEUVUOLTOLYYAB-UHFFFAOYSA-N,3,1,0.518,51,969,417.404,3.571,5,0.427,0.72,1.0,0.6148224933177986,0.5451733945582894,0.39587759577821946,0.3119302994996916,0.46695094578849977
EOS-3-30690,Cc1cc(COc2cncc3nnc(-c4cnc(-c5cc(F)ncc5C)cn4)n23)n(C)n1,HWZHGOXOVHVAMF-UHFFFAOYSA-N,3,1,0.379,7,662,431.435,2.712,5,0.391,0.64,0.987,0.30640463299294085,0.2837965184017545,0.19177917894592558,0.13151086286066754,0.22837279830032214
EOS-3-30691,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c(F)c2)ncn1,JGQYTLSVCBMXID-UHFFFAOYSA-N,3,1,0.317,9,98,463.48,4.158,6,0.387,0.65,1.0,0.20669419505174422,0.2944452059488726,0.5668477143444589,0.5242872318552533,0.3980685868000823
EOS-3-30692,CCOc1cccnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,OCYUEWHUTCLGDG-UHFFFAOYSA-N,3,1,0.317,52,776,478.516,3.601,6,0.377,0.78,0.737,0.20953841409087795,0.11053046398464807,0.07108834212870947,0.07612569392091015,0.11682072853128642
EOS-3-30693,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cscn5)cn4)n23)c(F)n1,RNEGJNJTYLWUJS-UHFFFAOYSA-N,3,1,0.444,51,969,420.433,3.126,5,0.4,0.76,1.0,0.5637036529367419,0.660098690973888,0.21610067850044548,0.185037009115208,0.40623500788157085
EOS-3-30694,Cc1nc(-c2cnc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)cn2)cs1,JMOCLHGCQWSBLY-UHFFFAOYSA-N,3,1,0.448,46,109,453.89,4.385,5,0.39,0.74,1.0,0.6491929956822698,0.640343362346652,0.5537660201494071,0.607437804125831,0.61268504557604
EOS-3-30695,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)c1CO,NYJORBGGUGKQPH-UHFFFAOYSA-N,3,1,0.303,52,582,466.505,2.638,6,0.394,0.7,1.0,0.10539030909464739,0.0884106641080118,0.1412343225275855,0.14519224179288603,0.12005688438078269
EOS-3-30696,CCc1cc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(C)cc5)n34)nn2)n(C)n1,MVKMQUGHERRTOM-UHFFFAOYSA-N,3,1,0.443,36,706,430.447,3.784,5,0.419,0.71,0.998,0.5192927146871359,0.5269001439243369,0.22667226372421356,0.18504557604002467,0.36447767459392777
EOS-3-30697,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)no4)n23)c1,CSOQCVWUEQULJX-UHFFFAOYSA-N,3,1,0.468,81,49,451.45,3.216,6,0.376,0.67,1.0,0.38287300390651774,0.20746521828524433,0.277516962511137,0.2369097388801316,0.2761912308957577
EOS-3-30698,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,XHYNNBNPVYFTGS-UHFFFAOYSA-N,3,1,0.308,98,882,463.509,3.236,6,0.382,0.66,1.0,0.11296347063258173,0.041361113014872185,0.034576108560071275,0.03229730655883764,0.05529949969159071
EOS-3-30699,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)nc2)o1,GPTSZFYYUNKSFM-UHFFFAOYSA-N,3,1,0.452,18,904,418.392,2.7,5,0.41,0.7,1.0,0.6148310602426154,0.4856932355561648,0.22305702145157974,0.19867555342334314,0.38056421766842574
EOS-3-30700,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5nncn5C)nc4)n23)ccc1F,SVJPKWFNCLROLV-UHFFFAOYSA-N,3,1,0.53,36,863,417.408,2.403,5,0.429,0.67,1.0,0.6005671304228634,0.5222911383729696,0.20202522102666026,0.19332122541292576,0.37955117880885475
EOS-3-30701,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)nc1Cl,MVADKQSLMBUNCQ-UHFFFAOYSA-N,3,1,0.44,11,503,447.861,4.057,5,0.362,0.69,1.0,0.7161263792748955,0.6942892879172092,0.45730244671372766,0.5704629566170927,0.6095452676307312
EOS-3-30703,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nn2)n(C)n1,QTVGQAIBYMSICX-UHFFFAOYSA-N,3,1,0.286,76,14,453.495,2.871,6,0.396,0.6,0.978,0.04369988348982249,0.08841923103282845,0.02628332533753684,0.027534096360770338,0.046484134055239525
EOS-3-30704,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)c2)cn1,XVKVMKQNRATIQQ-UHFFFAOYSA-N,3,1,0.422,92,36,413.445,2.747,5,0.418,0.8,1.0,0.1454406826125694,0.10073846891919677,0.15620074018230415,0.08839353025837846,0.1226933554931122
EOS-3-30705,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nn2)n(C)n1,KXVAWEJLVOBMEV-UHFFFAOYSA-N,3,1,0.356,6,622,462.477,3.54,6,0.378,0.69,1.0,0.31920361866904257,0.19358680008224247,0.19516311424850935,0.15271400178192035,0.2151668836954287
EOS-3-30706,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)nc2)cs1,FNNIXHPXMFOHRM-UHFFFAOYSA-N,3,1,0.27,76,687,449.503,4.137,6,0.395,0.67,0.751,0.0277311356315537,0.09136625316976218,0.24828661503666644,0.23391988211911452,0.1503259714892742
EOS-3-30707,Cn1cc(-c2ccccc2Cl)c(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,KJXLHPOVCBPCHV-UHFFFAOYSA-N,3,1,0.359,3,340,454.881,4.562,6,0.385,0.71,1.0,0.2095469810156946,0.34363648824617915,0.5400589404427387,0.6164245082585155,0.427416729490782
EOS-3-30708,COc1cccc(F)c1-c1cc(-c2cncc3nnc(-c4cc(Cl)ccc4F)n23)ncn1,IVBNEHJCGHEIHV-UHFFFAOYSA-N,3,1,0.395,45,730,450.836,4.856,5,0.389,0.76,1.0,0.48929134397916524,0.5838016585566445,0.913139949283805,0.9214412994311562,0.7269185628126927
EOS-3-30709,OCc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,VGVJSXBCZOBFAU-UHFFFAOYSA-N,3,1,0.478,2,419,460.885,2.806,5,0.365,0.68,1.0,0.5863460352271949,0.5934480159002125,0.4357309300253581,0.41988211911452267,0.508851775066822
EOS-3-30710,COc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)n2)cc1,OUDFSBDUIBJIGF-UHFFFAOYSA-N,3,1,0.348,10,871,465.452,3.644,6,0.355,0.68,0.765,0.06704475361524227,0.24814954423959976,0.4918528544993489,0.43862655061339184,0.3114184257418957
EOS-3-30711,Fc1ccc(-n2cc(-c3cncc4nnc(-c5scnc5-c5cccc(F)c5)n34)nn2)nc1,WQDMVFOHLTVYMU-UHFFFAOYSA-N,3,1,0.349,10,872,459.445,3.836,6,0.395,0.65,1.0,0.012336371736001646,0.10399390034953053,0.35098690973888014,0.5008823932561168,0.24204989377013228
EOS-3-30712,c1ccc(-c2ncccc2-c2nnc3cncc(Cc4ccc(-c5cncnn5)cc4)n23)cc1,SSPUYBCVICDKIL-UHFFFAOYSA-N,3,1,0.363,30,371,442.486,4.296,6,0.393,0.65,0.999,0.19291001302172572,0.097483037488863,0.49522822287711604,0.537651634569255,0.33081822698923996
EOS-3-30713,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)nc1,MDVFDCLRXTXLLF-UHFFFAOYSA-N,3,1,0.258,99,813,423.4,2.094,6,0.414,0.59,1.0,0.0953241724350627,0.04856589678568981,0.07109690905352614,0.07613426084572682,0.07278030978000137
EOS-3-30714,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)c(F)c1,SRBCZWDCCYCRDO-UHFFFAOYSA-N,3,1,0.517,26,795,416.42,2.742,5,0.42,0.69,1.0,0.6522342539921869,0.598048454526763,0.3285672674936605,0.3057706805565074,0.47115516414227954
EOS-3-30716,Cc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(Cn3ccnc3-c3ccc(F)cn3)n12,OCPIMNZEBGIRGQ-UHFFFAOYSA-N,3,1,0.289,85,81,466.484,3.341,6,0.384,0.62,1.0,0.23416832293879788,0.21234836543074498,0.2659944486327188,0.2783736549928038,0.24772119799876635
EOS-3-30717,CCOc1cc(-c2ncnn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,CHXXHYKAEXYHMB-UHFFFAOYSA-N,3,1,0.313,52,336,481.52,2.94,6,0.376,0.78,0.666,0.14854190939620313,0.09137482009457885,0.05136728120074018,0.04650126790487287,0.08444631964909875
EOS-3-30718,Cc1cncc(-c2cncc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)c2)n1,URLBJECXEJOJAJ-UHFFFAOYSA-N,3,1,0.424,7,535,447.409,3.258,5,0.386,0.61,1.0,0.545361866904256,0.49982009457884996,0.5198495648002193,0.38856144198478515,0.4883982420670276
EOS-3-30719,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cn4)n23)c(F)c1,SHDHADTXRKFOOU-UHFFFAOYSA-N,3,1,0.299,94,615,468.431,3.384,6,0.387,0.64,0.992,0.2637242135563018,0.3244037420327599,0.4641645534918786,0.5145894729627852,0.39172049551093135
EOS-3-30720,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3F)n12,YVTPASJENCOYNC-UHFFFAOYSA-N,3,1,0.31,39,854,468.431,3.384,6,0.387,0.64,0.982,0.14000068535398533,0.25303269138510043,0.23039887601946404,0.37906072236310057,0.2506232437804126
EOS-3-30721,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)cc(F)c1F,KMWGXYGVNIRXBM-UHFFFAOYSA-N,3,1,0.294,64,27,468.431,3.384,6,0.387,0.64,1.0,0.16228325680213831,0.21235693235556163,0.33237954903707767,0.45782502912754436,0.2912111918305805
EOS-3-30722,COc1ncc(-c2nnc3cncc(OCc4cnc(F)cn4)n23)cc1-c1cscn1,AYHJHQSXTOLDRP-UHFFFAOYSA-N,3,1,0.446,7,94,436.432,2.827,5,0.396,0.65,1.0,0.5017904872866835,0.5176478651223357,0.23040744294428073,0.15530978000137072,0.35128889383866774
EOS-3-30723,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cnnn5C)c4)n23)nn1,CBIZHKPSXWTVJC-UHFFFAOYSA-N,3,1,0.44,53,785,417.408,2.403,5,0.429,0.67,1.0,0.38066273730381744,0.3384106641080118,0.284790281680488,0.26365567815776847,0.31687984031252137
EOS-3-30724,Cc1cnc(-c2nnc3cncc(OCc4cccc(-c5nnc(CO)s5)n4)n23)cn1,ZHVVUJZAEDMXGT-UHFFFAOYSA-N,3,1,0.385,53,828,433.457,1.875,5,0.422,0.64,0.999,0.30121307655404017,0.2890480433143719,0.017767802069769037,0.012482009457884998,0.15512773284901651
EOS-3-30725,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)nc1,CUNKDQPCJIBKSK-UHFFFAOYSA-N,3,1,0.468,18,692,431.406,3.543,5,0.38,0.63,1.0,0.7580015077787677,0.6171612637927489,0.688129668974025,0.67436262079364,0.6844137653347955
EOS-3-30726,Clc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)[nH]2)nc1,RXMDSBPTVNFRNF-UHFFFAOYSA-N,3,1,0.282,86,957,452.869,3.749,6,0.429,0.6,0.584,0.15141182920978685,0.2735676101706531,0.32490062367212663,0.41029573024467136,0.29004394832430946
EOS-3-30727,COc1cccnc1COc1cncc2nnc(-c3cccc(-c4nsc(C)n4)c3)n12,BVXTWONXHROTIG-UHFFFAOYSA-N,3,1,0.535,15,921,431.481,3.601,5,0.402,0.69,1.0,0.2824086765814543,0.24306079089849908,0.14401857309300253,0.08482112260982798,0.188577290795696
EOS-3-30728,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccnnc5)c4)n23)ccn1,BYNPWZHZVIVUAQ-UHFFFAOYSA-N,3,1,0.549,75,496,430.859,3.313,5,0.378,0.64,1.0,0.7161349461997122,0.7321208279076142,0.519858131725036,0.5242957987800699,0.6231024261531081
EOS-3-30729,OCc1ncc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nn4)n23)cn1,CSFNLLFEXWMKKH-UHFFFAOYSA-N,3,1,0.396,54,411,431.391,1.644,5,0.395,0.62,0.917,0.558100884106641,0.47693783839353027,0.2230655883763964,0.2015883078610102,0.36492315468439446
EOS-3-30730,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccnnc5)ns4)n23)cc1,IJSYFYOUXSMYFO-UHFFFAOYSA-N,3,1,0.3,98,890,439.468,2.562,6,0.407,0.58,1.0,0.06516003015557535,0.0712939483243095,0.047734905078473035,0.06500582550887533,0.06229867726680831
EOS-3-30731,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccnc(F)c5)n4)n23)cn1,JJVQXPZQSKBFDB-UHFFFAOYSA-N,3,1,0.365,14,81,431.862,4.335,5,0.394,0.68,1.0,0.36899458570351584,0.455049345486944,0.6801281611952573,0.7166660955383456,0.5552095469810157
EOS-3-30732,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cnn2)nc1,WQGYXHCGNJHCSM-UHFFFAOYSA-N,3,1,0.449,55,382,435.81,2.805,5,0.384,0.6,0.943,0.8117760948529916,0.870048317455966,0.377552943595367,0.42938283873620725,0.6221900486601329
EOS-3-30733,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)o1,RBPDKCNQAQALEI-UHFFFAOYSA-N,3,1,0.511,87,307,433.859,3.82,5,0.398,0.66,1.0,0.6344578849976013,0.6075748749228976,0.4171835377972723,0.397719484613803,0.5142339455828936
EOS-3-30734,N#Cc1nc(Cl)cc(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)n1,HRNBPSFEHRSUGX-UHFFFAOYSA-N,3,1,0.418,90,473,413.228,2.776,4,0.459,0.69,1.0,0.7224145020903296,0.8423942841477623,0.31381502295935854,0.4515112055376602,0.5825337536837777
EOS-3-30735,Cc1cnc(-c2cc(-c3nnc4cncc(COc5cccc(Cl)c5Cl)n34)ccn2)cn1,GXQBHVSFYWENAE-UHFFFAOYSA-N,3,1,0.408,24,767,464.316,4.838,5,0.368,0.79,1.0,0.4941402234253992,0.4504232060859434,0.7299276951545474,0.7561853197176341,0.607669111095881
EOS-3-30736,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)s1,KGCHLKZDKRHDNM-UHFFFAOYSA-N,3,1,0.533,2,419,433.472,3.774,5,0.402,0.65,1.0,0.682946679459941,0.6123295181961483,0.43197005003084094,0.3917140703173189,0.5297400795010623
EOS-3-30737,COc1nc(-c2nnc3cncc(OCc4cnnc(F)c4)n23)ccc1-c1ncc(C)cn1,QBIZMHFQWHELNV-UHFFFAOYSA-N,3,1,0.396,46,896,445.418,2.468,5,0.385,0.59,0.992,0.7039784798848605,0.490250839558632,0.15620930710712083,0.09419333835926257,0.361157991227469
EOS-3-30738,COc1cc(-c2nncn2C)ccc1Oc1cncc2nnc(-c3ccc(-c4ncc[nH]4)cc3)n12,LPGMFUKTXOAIST-UHFFFAOYSA-N,3,1,0.433,67,722,465.477,3.778,6,0.395,0.75,1.0,0.45533205400589405,0.2684445891302858,0.3884672058118018,0.2666284010691522,0.34471806250428344
EOS-3-30739,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c1Cl,IUVMGFQYEBSZKF-UHFFFAOYSA-N,3,1,0.558,16,19,440.25,4.122,5,0.402,0.66,1.0,0.8248063874991433,0.6746624631622233,0.7222088958947296,0.7664913302720855,0.7470422692070454
EOS-3-30740,Cn1ncnc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cs1,FUOSSKGKHPPLRP-UHFFFAOYSA-N,3,1,0.477,13,251,427.852,4.233,5,0.426,0.71,1.0,0.42977691727777395,0.4902594064834487,0.5266260023302035,0.6074463710506477,0.5135271742855185
EOS-3-30741,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,SDALSNNPESIKIP-UHFFFAOYSA-N,3,1,0.442,18,720,444.886,3.622,5,0.391,0.6,0.992,0.5694434925639092,0.5934565828250291,0.3323881159618943,0.3433794805016791,0.45966691796312786
EOS-3-30742,Cc1cc(C(F)F)cnc1-c1nnc2cncc(-c3ncnc(-c4cccc(Cl)n4)n3)n12,JNZMNFGWSXNUFM-UHFFFAOYSA-N,3,1,0.267,29,849,451.828,4.0,5,0.377,0.66,0.052,0.2796501267904873,0.3864711123295182,0.4852049208416147,0.5411640737440888,0.42312255842642726
EOS-3-30743,N=c1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c[nH]1,RWYGUPSSSXPPGN-UHFFFAOYSA-N,3,1,0.433,63,536,420.408,1.604,5,0.434,0.78,1.0,0.4180916318278391,0.3287471729148105,0.14402714001781922,0.147488177643753,0.25958853060105547
EOS-3-30744,c1ccc(-c2ccc(-c3nnc4cncc(Cc5ccc(-c6cncnn6)nn5)n34)nc2)cc1,PCYFBLANXNUPOQ-UHFFFAOYSA-N,3,1,0.3,30,301,444.462,3.086,6,0.395,0.58,0.989,0.11854910561304914,0.05595058597765746,0.19178774587074224,0.26042594750188475,0.1566783462408334
EOS-3-30745,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ncc(F)cn6)n5C)n34)cn2)n1C,IHMVBOLIVLJSBL-UHFFFAOYSA-N,3,1,0.292,99,754,468.46,2.287,6,0.382,0.62,0.873,0.22595264203961346,0.2172400795010623,0.022162634500719623,0.025675073675553422,0.12275760742923722
EOS-3-30746,Cn1cnc(CCOc2cncc3nnc(-c4cc(-c5ccc(C#N)cc5F)ccn4)n23)c1,DGUYJCOJBYVQBN-UHFFFAOYSA-N,3,1,0.489,18,367,440.442,3.219,5,0.399,0.62,1.0,0.6799225549996574,0.5269087108491536,0.6346977588924679,0.6136745253923651,0.613800887533411
EOS-3-30747,NC(=O)c1ccc(-c2nnc3cncc(-c4nnn(-c5cnc(Cl)nc5)n4)n23)cn1,TVHOUYVTKICEHG-UHFFFAOYSA-N,3,1,0.349,50,489,420.784,0.371,5,0.401,0.64,0.978,0.02204269755328627,0.13359262559111781,0.009732026591734631,0.00985196353916798,0.04380482831882668
EOS-3-30748,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)c2)cn1,DLMQQQCUCCUSTN-UHFFFAOYSA-N,3,1,0.523,7,535,464.411,4.002,5,0.371,0.69,1.0,0.555496538962374,0.6942978548420259,0.7685473922280858,0.6628658076896717,0.6703018984305393
EOS-3-30749,Fc1cccc(-c2cnnc(COc3cncc4nnc(-c5ccncc5F)n34)n2)c1,ZDIGWIJFUPEIGD-UHFFFAOYSA-N,3,1,0.435,73,446,418.367,2.896,5,0.429,0.66,1.0,0.6552069769035707,0.6698906860393393,0.49186142142416556,0.5704715235419094,0.5968576519772462
EOS-3-30750,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(-c3cn(-c4ccccc4)nn3)n12,QHPCVJGLVVFTKN-UHFFFAOYSA-N,3,1,0.333,10,298,439.479,4.907,6,0.39,0.74,0.993,0.021168871221986157,0.19359536700705915,0.6584110067850044,0.740662051949832,0.4034593242409704
EOS-3-30751,Cc1cc(CCOc2cncc3nnc(-c4cc(F)c(-c5ccnnc5)cn4)n23)ccn1,XLTJCEHGRQVPRK-UHFFFAOYSA-N,3,1,0.459,18,840,428.431,3.107,5,0.406,0.63,1.0,0.7130594201905284,0.6025546569803304,0.49874066205194983,0.4386351175382085,0.5632474641902543
EOS-3-30752,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncco5)nc4)n23)cn1,CIFKQSNHLRYDAS-UHFFFAOYSA-N,3,1,0.304,70,191,421.424,3.304,6,0.426,0.65,1.0,0.12647351106846685,0.08171132890137756,0.24829518196148312,0.2165204578164622,0.16825011993694744
EOS-3-30753,CCOC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)cn4)n23)cc1,ONVHKNUMQIQGEF-UHFFFAOYSA-N,3,1,0.477,89,943,458.503,4.066,5,0.336,0.76,1.0,0.5637122198615585,0.4055753546706874,0.2920207662257556,0.1713299294085395,0.35815956754163525
EOS-3-30754,Cc1ncccc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)nn1C,JKZPKDCWKXWATG-UHFFFAOYSA-N,3,1,0.489,95,235,446.902,3.565,5,0.393,0.63,0.626,0.387507710232335,0.39572339113151944,0.24115036666438217,0.2636642450825852,0.32201142827770546
EOS-3-30755,Clc1ccccc1-c1cnc(COc2cncc3nnc(-c4ccccc4)n23)nc1,GUNPUQNKCOUQJD-UHFFFAOYSA-N,3,1,0.539,1,700,414.856,4.481,5,0.422,0.85,1.0,0.8038345555479405,0.8491535878281132,0.6440185730930026,0.7246590363922967,0.7554164382153382
EOS-3-30756,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)cn2)nn1,VSEGSFBCEGPGHD-UHFFFAOYSA-N,3,1,0.608,34,389,451.824,4.154,5,0.396,0.63,1.0,0.9668203001850456,0.9784713179357138,0.8417431978616956,0.8678894524021658,0.9137310670961553
EOS-3-30757,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cc[nH]n5)c4)n23)cn1,JXXFPYZMJUHCTF-UHFFFAOYSA-N,3,1,0.278,42,369,419.452,3.644,6,0.468,0.66,1.0,0.15142039613460354,0.08842779795764512,0.36221814817353165,0.36292920293331504,0.24124888629977387
EOS-3-30758,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5c(F)cccc5F)c4)n23)c1,DCLNQDCRUNJOOU-UHFFFAOYSA-N,3,1,0.534,88,490,448.408,4.287,5,0.386,0.67,1.0,0.922554999657323,0.8809283119731341,0.8691573572750325,0.8781611952573504,0.88770046604071
EOS-3-30759,Fc1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1-c1ccccn1,KNKJXNWMCMNLJZ-UHFFFAOYSA-N,3,1,0.545,88,265,448.408,4.287,5,0.386,0.66,1.0,0.9764837913782468,0.9581505722705778,0.9021999862929203,0.8989531217874032,0.9339468679322871
EOS-3-30760,Cc1cccc(OCc2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)n1,JQJYFOBYVCFALN-UHFFFAOYSA-N,3,1,0.396,14,351,416.42,3.008,5,0.435,0.7,1.0,0.4553406209307107,0.5043776985813172,0.32857583441847715,0.26367281200740184,0.38799174148447674
EOS-3-30761,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)n2)n(C)n1,JJFZFFKYPDUXHH-UHFFFAOYSA-N,3,1,0.291,76,14,449.482,2.753,6,0.403,0.58,0.999,0.07306730176135974,0.04136967993968885,0.04444520594887259,0.035569871838804744,0.04861301487218148
EOS-3-30762,Cc1nc(CCCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)ccc1F,CNBKZFFOLHGQAQ-UHFFFAOYSA-N,3,1,0.446,49,529,441.47,4.102,5,0.351,0.74,1.0,0.7285569871838805,0.679699814954424,0.37365499280378317,0.3725070248783497,0.5386047049551093
EOS-3-30763,Cn1cnc(-c2ccc(-c3nnc4cncc(CCCc5ccc(F)c(F)c5)n34)cc2F)c1,WWUZFAHVUVSCPK-UHFFFAOYSA-N,3,1,0.635,14,358,448.452,4.784,5,0.375,0.81,1.0,0.5978771160304297,0.7135905695291618,0.877116030429717,0.8853488451785347,0.7684831402919607
EOS-3-30765,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccn5)n4)n23)nc1,ZOLKXLHSXKYTDU-UHFFFAOYSA-N,3,1,0.362,29,849,410.401,1.46,5,0.467,0.77,0.744,0.14544924953738605,0.02405592488520321,0.03069529161812076,0.015660338564868755,0.0539652011513947
EOS-3-30766,c1ccc(-c2cncnc2-c2nnc3cncc(-c4cc(-c5cscn5)cnn4)n23)cc1,QITMUUJBCMLUPU-UHFFFAOYSA-N,3,1,0.255,30,342,435.476,3.829,6,0.411,0.62,0.136,0.05990850524295799,0.052206839832773626,0.24830374888629977,0.327367898019327,0.1719467479953396
EOS-3-30767,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(Cl)cn5)s4)n23)nc1,GRLOFOWKNKYEGC-UHFFFAOYSA-N,3,1,0.394,33,53,478.925,3.297,5,0.394,0.69,1.0,0.4134997601261051,0.38182783907888423,0.15325371804537044,0.1315194297854842,0.270025186758961
EOS-3-30768,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccn4)n23)cc1,UARPPKLEDPLENC-UHFFFAOYSA-N,3,1,0.517,89,744,413.416,3.67,5,0.434,0.77,1.0,0.7402936741827154,0.7274689877321636,0.6201596874785826,0.5411726406689055,0.6572737475155918
EOS-3-30769,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnc(C)cn5)nn4)n23)cn1,VKRLDKVRSDHWDC-UHFFFAOYSA-N,3,1,0.402,31,828,426.444,2.067,5,0.398,0.58,0.958,0.45977828798574466,0.29445377287368923,0.034584675484887945,0.022231169899252966,0.20276197656089373
EOS-3-30770,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)n(C)n1,YMWJRGFWWHCFEL-UHFFFAOYSA-N,3,1,0.444,36,662,418.436,2.952,5,0.436,0.69,1.0,0.42278630662737304,0.4724659036392297,0.3884757727366185,0.2961328901377562,0.3949652182852444
EOS-3-30771,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5nc(C)cnc5F)cn4)n23)cn1,GHFMDFRLPZMSRH-UHFFFAOYSA-N,3,1,0.457,7,535,429.419,2.768,5,0.416,0.59,1.0,0.612106778150915,0.6505037351792201,0.172323692687273,0.12919779316016722,0.3910329997943939
EOS-3-30772,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ncn2)nn1,GMFBKMBUSZSZBG-UHFFFAOYSA-N,3,1,0.374,53,395,429.419,2.768,5,0.416,0.59,0.766,0.5721078061818929,0.414896168871222,0.27351620862175313,0.20756802138304434,0.3670220512644781
EOS-3-30774,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ncn2)n1C,APBXJBSVWFDVPM-UHFFFAOYSA-N,3,1,0.355,33,53,482.508,2.156,6,0.37,0.76,0.999,0.2204612432321294,0.09138338701939552,0.024141594133369887,0.016277157151668838,0.0880658453841409
EOS-3-30775,Cc1c(F)ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)cn4)n23)c1F,NLNGBNHUFKNEGX-UHFFFAOYSA-N,3,1,0.448,46,665,421.367,3.402,5,0.425,0.68,1.0,0.6522428209170036,0.5360496196285381,0.6854567884312247,0.6195086011925159,0.6233144575423206
EOS-3-30776,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cs1,SVGDJBVTSSMNGT-UHFFFAOYSA-N,3,1,0.443,92,779,438.904,3.318,5,0.401,0.65,1.0,0.40910492769515455,0.3722071825097663,0.11495956411486533,0.14749674456856968,0.26094210472208895
EOS-3-30777,Cc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ncc(F)c(F)n3)n12,DLECQQJLLGIKQS-UHFFFAOYSA-N,3,1,0.292,63,66,408.372,2.122,5,0.515,0.8,0.995,0.22596120896443012,0.23255774107326435,0.038602563223905144,0.07967240079501062,0.14419847851415257
EOS-3-30778,CC1(NC(=O)c2ccc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)cn2)COC1,BBDXYTSZJLGCRH-UHFFFAOYSA-N,3,1,0.457,68,127,468.424,2.012,5,0.433,0.61,1.0,0.37368926050304985,0.30428860256322393,0.22307415530121308,0.14265643204715237,0.2609271126036598
EOS-3-30779,C#Cc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncn5C)n4)n23)ccc1F,OVCBJEVZQBOSJF-UHFFFAOYSA-N,3,1,0.457,44,864,457.444,3.468,5,0.363,0.67,1.0,0.6889435268316085,0.4462339798505928,0.7352134877664314,0.6918477143444589,0.6405596771982729
EOS-3-30780,Cc1nc(OCc2cncc3nnc(-c4cc(-c5cncc(F)c5)ccn4)n23)ccc1Cl,LTTBXAXBTIRHKL-UHFFFAOYSA-N,3,1,0.333,46,767,447.861,4.323,5,0.396,0.68,1.0,0.5299842368583373,0.545181961483106,0.6854653553560414,0.6889092591323418,0.6123852032074566
EOS-3-30781,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c1F,ZUHWILSBCSOHEE-UHFFFAOYSA-N,3,1,0.537,97,183,416.391,4.106,5,0.429,0.75,1.0,0.8194948941128093,0.7043040230278939,0.8999297512165033,0.8825217599890344,0.8265626070865603
EOS-3-30782,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5c(C)noc5C)n34)cs2)no1,GLIINZZXTWUBSN-UHFFFAOYSA-N,3,1,0.495,65,986,423.458,3.438,5,0.405,0.72,1.0,0.2716914536358029,0.16394524021657186,0.013467205811801795,0.007641696936467685,0.11418639915016106
EOS-3-30783,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(Cl)c4Cl)n23)cn1,VWXCDRYSKIIRHD-UHFFFAOYSA-N,3,1,0.512,90,555,421.675,4.429,4,0.454,0.71,1.0,0.7642639298197519,0.8491621547529299,0.840081214447262,0.8781697621821671,0.8329192653005277
EOS-3-30784,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(F)c1,QTYSMGWGBFZAPY-UHFFFAOYSA-N,3,1,0.506,16,772,435.85,3.958,5,0.415,0.62,1.0,0.6889520937564252,0.67467103008704,0.7906843259543554,0.7854156671921048,0.7349307792474813
EOS-3-30785,Cn1ccnc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,RDGOMXHEFGHKDK-UHFFFAOYSA-N,3,1,0.62,4,439,435.85,3.958,5,0.415,0.62,1.0,0.5093722157494346,0.5685353985333425,0.6936210677815091,0.702933315057227,0.6186154992803783
EOS-3-30786,Cn1cccc1-c1cc(COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)ncn1,CFPUMEJFBXNNKQ-UHFFFAOYSA-N,3,1,0.529,4,633,435.85,3.958,5,0.415,0.62,1.0,0.8168305804948256,0.8457268179014461,0.7685559591529024,0.7614025769309849,0.7981289836200398
EOS-3-30787,Fc1cnnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nn5)n34)nn2)c1,VSEBCYIHMVZQIT-UHFFFAOYSA-N,3,1,0.252,99,312,439.378,1.215,6,0.39,0.6,0.785,0.0023473373997669796,0.05595915290247413,0.05329483928449044,0.09420190528407922,0.05145080871770269
EOS-3-30788,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)c(F)c1,KRAZYDAYFCXYDS-UHFFFAOYSA-N,3,1,0.386,83,472,467.479,5.296,6,0.381,0.87,1.0,0.36213247892536493,0.47247447056404634,0.8208313343842094,0.882530326913851,0.634492152696868
EOS-3-30789,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(OCC5CC5(F)F)cn4)n23)nn1,NCGHNPOGGUKZLL-UHFFFAOYSA-N,3,1,0.306,68,542,425.359,1.171,5,0.481,0.53,0.86,0.44817010485915976,0.41490473579603865,0.16906826125693922,0.19332979233774245,0.30636822356247
EOS-3-30790,Cn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3)n12,PRYKPBGLJWTWAQ-UHFFFAOYSA-N,3,1,0.313,39,854,468.431,3.384,6,0.362,0.7,0.791,0.10277739702556371,0.2632873003906518,0.19517168117332603,0.340261119868412,0.2253743746144884
EOS-3-30791,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5cc(-c6ccc(F)nc6)ccc5F)n34)c2)nn1,DULANBQGSJUVFV-UHFFFAOYSA-N,3,1,0.3,98,314,468.431,3.384,6,0.362,0.7,0.845,0.08811938866424508,0.232566307998081,0.6140686039339319,0.6457148242067028,0.3951172812007402
EOS-3-30792,Cn1cc(-c2cncc(-c3nnc4cncc(Cc5ccc(C(F)F)nn5)n34)n2)cn1,UWKODGLCNFFXDK-UHFFFAOYSA-N,3,1,0.276,50,362,420.387,2.3,5,0.426,0.61,1.0,0.07920978685491056,0.11053903090946474,0.2992598176958399,0.2604345144267014,0.18736078747172916
EOS-3-30793,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cn2)ccn1,DAIXEXUKQPAVEL-UHFFFAOYSA-N,3,1,0.303,70,723,418.424,3.095,6,0.463,0.64,1.0,0.137482009457885,0.1269446919333836,0.3028750599684737,0.3088890411897745,0.21904770063737916
EOS-3-30794,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cnn2)ncn1,DEMZLSNSIQFGJP-UHFFFAOYSA-N,3,1,0.402,7,185,432.835,2.369,5,0.408,0.57,0.963,0.43657048865739156,0.48570180248098144,0.16907682818175587,0.17133849633335618,0.31567190391337124
EOS-3-30795,Clc1cc(COc2cncc3nnc(-c4cc(-c5ncccn5)cnc4Cl)n23)ccn1,LZMGMNCDLCIISJ-UHFFFAOYSA-N,3,1,0.448,55,242,451.277,3.924,5,0.371,0.67,1.0,0.7101038311287781,0.7414587759577822,0.560037009115208,0.6250942361729833,0.6591734630936879
EOS-3-30796,Fc1nccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)c1F,JFMZROVGEIKVRC-UHFFFAOYSA-N,3,1,0.306,3,150,452.428,4.379,6,0.369,0.68,1.0,0.023139263929819753,0.21236549928037832,0.7885340278253719,0.7947707490919059,0.454702385031869
EOS-3-30797,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nn5)n34)cn2)s1,WOZJMKZKLYAUKI-UHFFFAOYSA-N,3,1,0.461,53,52,471.428,3.401,5,0.38,0.71,1.0,0.5637207867863752,0.6601072578987047,0.505748406551984,0.34653210883421287,0.5190271400178192
EOS-3-30798,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)c1,PVHKQMAZSCRTOX-UHFFFAOYSA-N,3,1,0.413,7,211,419.836,2.609,5,0.4,0.67,1.0,0.3317969981495442,0.3483568638201631,0.31005414296484135,0.29317730107600576,0.3208463265026386
EOS-3-30799,Cc1ccc(-c2nnc3cncc(-c4c(-c5ccc(F)cc5F)nc(C)n4C)n23)cn1,HRNUQWLWKYFDNK-UHFFFAOYSA-N,3,1,0.37,22,140,417.423,4.149,5,0.441,0.77,0.999,0.2531012267836337,0.4009235144952368,0.5537745870742239,0.5766654101843602,0.44611618463436364
EOS-3-30801,Fc1cc(COc2cncc3nnc(-c4cccc(COc5cccnn5)c4)n23)ccc1Cl,TUWMNDSKGKARLP-UHFFFAOYSA-N,3,1,0.684,43,96,462.872,4.532,5,0.351,0.75,1.0,0.839618600507162,0.8614214241655815,0.8859313960660681,0.8581916935096977,0.8612907785621273
EOS-3-30802,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1F,VFGFETRUMJBKPZ-UHFFFAOYSA-N,3,1,0.558,37,265,451.412,3.626,5,0.392,0.61,1.0,0.9252278802001234,0.8700568843807827,0.8117846617778083,0.7831539990405044,0.8475558563498047
EOS-3-30803,Cc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cnnn1C,OBDNVWQQBFWUFB-UHFFFAOYSA-N,3,1,0.467,36,208,433.863,2.918,5,0.416,0.61,1.0,0.3983448701254198,0.5176564320471524,0.26967822630388594,0.2722483037488863,0.3644819580563361
EOS-3-30804,CCn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)cc1Cl,KAKVAIANUVKMGQ-UHFFFAOYSA-N,3,1,0.467,13,374,453.293,4.564,5,0.36,0.79,1.0,0.45064594613117676,0.6359056952916181,0.4573110136385443,0.5704800904667261,0.5285856863820163
EOS-3-30805,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4OC)n23)ccc1-c1ccccn1,WXSFRMXPBCJTLJ-UHFFFAOYSA-N,3,1,0.462,97,383,458.453,3.984,5,0.361,0.71,1.0,0.8464036049619629,0.7135991364539784,0.6257538893838668,0.432586868617641,0.6545858748543624
EOS-3-30806,c1cc(-c2ccc(-c3nnc4cncc(OCc5nccnc5-c5ccncc5)n34)cn2)ccn1,IOJXJXAVKVCVLF-UHFFFAOYSA-N,3,1,0.455,80,723,459.473,3.679,6,0.368,0.66,1.0,0.35520183674868067,0.3436450551709958,0.3431481735316291,0.31513432938112534,0.3392823487081077
EOS-3-30807,Clc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4ccsc4)c3)n12,LCCHRDYFQPPQDC-UHFFFAOYSA-N,3,1,0.575,2,419,434.912,4.585,5,0.389,0.74,1.0,0.6769326982386402,0.7367469673086149,0.6690339935576726,0.7115345075731615,0.6985620416695224
EOS-3-30808,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)c(F)n1,FYKPLEDCGIAWCM-UHFFFAOYSA-N,3,1,0.523,11,384,448.408,4.287,5,0.361,0.7,1.0,0.819503461037626,0.8283959289973272,0.8648995956411486,0.8727640326228497,0.8463907545747379
EOS-3-30809,Cc1nc(-c2nnc3cncc(OCc4cccc(C#N)c4)n23)ccc1-c1nccs1,OORADSHUVVYIFJ-UHFFFAOYSA-N,3,1,0.438,89,348,425.477,4.069,5,0.418,0.73,1.0,0.5142125282708518,0.4550579124117607,0.46417312041669523,0.4230947159207731,0.46413456925502017
EOS-3-30810,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)[nH]n2)nc1,BSSGUWLYTBJUIE-UHFFFAOYSA-N,3,1,0.396,58,963,436.838,3.385,5,0.406,0.64,0.929,0.5721163731067096,0.5086525940648345,0.44308135151805905,0.5210746350490028,0.5112312384346515
EOS-3-30811,CCn1nc(-c2csc(F)n2)cc1-c1nnc2cncc(OCCc3ccncc3)n12,VLZCJBNQPAZBBR-UHFFFAOYSA-N,3,1,0.443,31,493,436.476,3.287,5,0.386,0.65,0.999,0.26639709409910217,0.09749160441367967,0.08959289973271195,0.09622369954081283,0.13742632444657665
EOS-3-30812,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5F)n34)c2)nn1,UQUNJWWSZIVUJS-UHFFFAOYSA-N,3,1,0.274,39,972,469.419,2.779,6,0.383,0.63,0.883,0.10539887601946406,0.16395380714138852,0.3177129737509424,0.410304297169488,0.24934248852032073
EOS-3-30813,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,ZQEPLOGYOPZZBE-UHFFFAOYSA-N,3,1,0.449,65,324,448.849,3.452,5,0.389,0.59,1.0,0.8297323692687273,0.8318655335480776,0.5892330888904119,0.6136830923171819,0.7161285210060997
EOS-3-30814,c1ncn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)n1,GPEPOPJTMVTXLK-UHFFFAOYSA-N,3,1,0.417,7,584,438.415,1.526,6,0.405,0.6,1.0,0.31167329175519154,0.2325748749228977,0.10657254471934755,0.07968096771982729,0.18262541977931598
EOS-3-30815,N#Cc1ccc(-c2nnc3cncc(Oc4c(F)cc(-c5nnco5)cc4F)n23)nc1,HNMJXXNHTDNGNT-UHFFFAOYSA-N,3,1,0.361,13,251,418.323,3.178,5,0.432,0.66,1.0,0.7373209512713317,0.6307998081008841,0.7546518401754506,0.7220032896991296,0.711193972311699
EOS-3-30816,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4C)n23)ccc1F,PKHZASQWGFFNND-UHFFFAOYSA-N,3,1,0.494,4,92,445.433,4.117,5,0.402,0.66,0.998,0.6432047152354191,0.669899252964156,0.5400675073675554,0.48547906243574807,0.5846626345007196
EOS-3-30817,Cc1cncc(COc2cncc3nnc(-c4cc(-c5ccnc(C#N)c5)ccn4)n23)n1,DAZXEXHLVUMESA-UHFFFAOYSA-N,3,1,0.387,7,160,421.424,2.797,5,0.421,0.63,1.0,0.40039236515660337,0.3144232746213419,0.3622267150983483,0.2992683846206566,0.3440776848742375
EOS-3-30818,Clc1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cn4)n23)cn1,RYGZJTWPMROBSZ-UHFFFAOYSA-N,3,1,0.237,70,813,453.857,3.144,6,0.399,0.61,0.706,0.22304845452676308,0.2481581111644164,0.255234391062984,0.3561013638544308,0.27063558015214856
EOS-3-30819,Cc1cncc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)n2)n1,LQWBYRHMFJLFSD-UHFFFAOYSA-N,3,1,0.294,42,303,450.441,3.339,6,0.376,0.63,1.0,0.014726543759851964,0.14467822630388597,0.31772154067575903,0.3529830032211637,0.20752732849016517
EOS-3-30820,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cn1,RIYFQVOXZKIMCQ-UHFFFAOYSA-N,3,1,0.314,86,312,422.416,1.624,6,0.416,0.64,0.994,0.0069734768007675965,0.014906449181001988,0.04957679391405661,0.05045062024535673,0.030476835035295732
EOS-3-30821,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncc(C)n6)cnn5)n34)cc2)n1,JPTKMBHUKKIDKW-UHFFFAOYSA-N,3,1,0.297,42,167,458.489,3.779,6,0.388,0.63,1.0,0.08136865190871084,0.07130251524912617,0.2956788431224728,0.2666369679939689,0.17874674456856968
EOS-3-30822,COCc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,AXPNEMJLVGWQCR-UHFFFAOYSA-N,3,1,0.441,55,85,462.901,3.361,5,0.362,0.69,0.999,0.4993146460146666,0.4952110890274827,0.3958861627030361,0.3433880474264958,0.4334499862929203
EOS-3-30823,Cc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1ccnnc1,ZYYUCHMSBSFSBT-UHFFFAOYSA-N,3,1,0.641,13,15,432.846,5.142,5,0.391,0.78,1.0,0.8666386813789322,0.8784524707011171,0.9288859570968405,0.9276266191487903,0.9004009320814201
EOS-3-30824,CC#Cc1cnc(COc2cncc3nnc(-c4cccc(-c5csc(C)n5)c4)n23)cn1,OKTYXZSTFGFZML-UHFFFAOYSA-N,3,1,0.467,4,506,439.504,3.964,5,0.383,0.71,1.0,0.3389932149955452,0.3042971694880406,0.34315674045644573,0.23691830580494824,0.30584135768624493
EOS-3-30825,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCc6ccc(F)cc6C5)c(F)c4)n23)nn1,WPEPDBWHFZIALE-UHFFFAOYSA-N,3,1,0.357,62,124,483.482,4.033,6,0.385,0.84,0.999,0.10540744294428073,0.21237406620519497,0.27752552943595366,0.4419590843670756,0.2593165307381262
EOS-3-30826,Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5cscn5)c4)n23)ccc1F,BNFOKSPOWBFDCT-UHFFFAOYSA-N,3,1,0.541,4,92,436.447,4.475,5,0.404,0.73,1.0,0.7224230690151463,0.7587982317867178,0.7567079021314509,0.7166746624631622,0.7386509663491193
EOS-3-30827,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1-c1cncs1,WCFHUJAJNFLBPE-UHFFFAOYSA-N,3,1,0.558,95,998,439.451,3.548,5,0.402,0.64,1.0,0.3598279761496813,0.26329586731546845,0.5129874580220684,0.5277996710300871,0.41597774312932634
EOS-3-30828,Cn1nncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)ncc1F,ORENNUIUNFXNLO-UHFFFAOYSA-N,3,1,0.419,46,128,437.826,2.748,5,0.413,0.57,0.999,0.36900315262833255,0.5086611609896512,0.3921081488588856,0.44196765129189225,0.4279350284421904
EOS-3-30829,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)n1,KFPJICBFKDFMEV-UHFFFAOYSA-N,3,1,0.297,9,537,420.44,3.039,6,0.466,0.65,1.0,0.13749057638270168,0.08171989582619422,0.2775340963607703,0.26044308135151806,0.18929691248029606
EOS-3-30830,Fc1ccc(COCc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1-c1cncnn1,FHSUCXAPDBULNF-UHFFFAOYSA-N,3,1,0.465,14,81,464.411,3.832,5,0.358,0.69,0.999,0.592300047974779,0.6454064149133028,0.8074412308957577,0.7786820642862038,0.7059574395175108
EOS-3-30831,N#Cc1ccc(-c2nnc3cncc(-c4nc(-c5cnc(F)c(F)c5)n[nH]4)n23)c(F)c1,YMTDPQOMLITTRU-UHFFFAOYSA-N,3,1,0.36,22,844,419.33,2.927,5,0.446,0.67,0.687,0.3712391200054828,0.55013364402714,0.8117932287026249,0.8546878212596807,0.6469634534987321
EOS-3-30832,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ccc(F)c(F)c5)cn4)n23)cc1,NKORUPCCRFQGSZ-UHFFFAOYSA-N,3,1,0.292,10,543,471.406,3.913,6,0.384,0.67,0.842,0.08333904461654444,0.21724864642587896,0.7614197107806182,0.8384449318072784,0.47511308340758
EOS-3-30833,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)cn1,HYVLRPAFRAHGCS-UHFFFAOYSA-N,3,1,0.5,75,496,414.404,2.799,5,0.391,0.78,1.0,0.722431635939963,0.7136077033787952,0.3921167157837023,0.37251559180316635,0.5501679117264067
EOS-3-30834,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,VRGUZHFZRIMMAQ-UHFFFAOYSA-N,3,1,0.511,6,297,462.477,3.018,6,0.367,0.64,1.0,0.3806713042286341,0.21238263313001166,0.18520834761154137,0.15813686519087108,0.23409978754026456
EOS-3-30835,Cc1nn(C)cc1-c1nccc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,DKYNYBGJSUYTSZ-UHFFFAOYSA-N,3,1,0.511,4,29,450.865,3.662,5,0.403,0.64,1.0,0.4769806730176136,0.6993866081831266,0.3995528065245699,0.4293914056610239,0.5013278733465835
EOS-3-30836,Fc1ccc(-c2cnnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cn5)n34)c2)nc1,DWUMAHWCAJVLAU-UHFFFAOYSA-N,3,1,0.262,39,114,466.415,3.441,6,0.385,0.63,0.839,0.22305702145157974,0.2993112192447399,0.3995613734493866,0.49450860119251594,0.35410955383455556
EOS-3-30837,CNCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)s1,XTCQVHNWCOPWDJ-UHFFFAOYSA-N,3,1,0.494,75,496,436.526,3.065,5,0.415,0.61,1.0,0.2583184839969844,0.13016585566445069,0.06293262970324172,0.04650983482968953,0.12448170104859159
EOS-3-30838,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(C)c5C)c4)n23)cn1,KYBALRHGMFIAJG-UHFFFAOYSA-N,3,1,0.554,97,656,422.492,4.753,5,0.407,0.81,1.0,0.4966760331711329,0.26845315605510245,0.6936296347063258,0.5445737098211226,0.500833133438421
EOS-3-30839,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1-c1ccccn1,XLOIFTHTDPVAFI-UHFFFAOYSA-N,3,1,0.404,95,564,436.838,3.353,5,0.417,0.61,1.0,0.4319015146323076,0.3957319580563361,0.48867452539236517,0.5312864094304708,0.4618986018778699
EOS-3-30840,Cc1ncccc1CCOc1cncc2nnc(-c3cc(-c4ncccc4F)cnn3)n12,JLIZSUASGNMKMT-UHFFFAOYSA-N,3,1,0.457,18,873,428.431,3.107,5,0.406,0.61,0.998,0.6344664519224179,0.5501422109519567,0.29568741004728943,0.29927695154547324,0.4448932561167843
EOS-3-30841,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)c1F,NQRKNJCLCGHXMZ-UHFFFAOYSA-N,3,1,0.448,54,873,428.431,3.107,5,0.406,0.61,1.0,0.6316222328832842,0.4952196559522994,0.3548163251319306,0.32737646494414363,0.4522586697279145
EOS-3-30842,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)c1,HTWXTEPRFLGDIZ-UHFFFAOYSA-N,3,1,0.265,39,144,465.908,4.458,6,0.379,0.73,0.895,0.013895552052635186,0.08843636488246179,0.37756151052018366,0.5178192036186691,0.24942815776848742
EOS-3-30843,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)nc1,DLCKAHXSSGSOGU-UHFFFAOYSA-N,3,1,0.446,44,481,465.304,3.967,5,0.347,0.72,1.0,0.6859708039202248,0.6403519292714687,0.5198666986498527,0.6074549379754643,0.6134110924542526
EOS-3-30844,Cc1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cc(F)cnc5F)n4)n23)cn1,YFUMHVIGEPYGKM-UHFFFAOYSA-N,3,1,0.369,14,81,433.397,3.96,5,0.399,0.62,1.0,0.4004009320814201,0.5451905284079227,0.7614282777054349,0.7561938866424508,0.6158034062093071
EOS-3-30845,FC(F)n1cc(-c2cncc(-c3nnc4cncc(OCCc5ccncn5)n34)c2)cn1,HDRPUNBVHGBCCU-UHFFFAOYSA-N,3,1,0.473,65,349,435.398,2.856,5,0.384,0.63,1.0,0.3941385100404359,0.3818364060037009,0.5568929477074909,0.4484014118292098,0.4453173188952093
EOS-3-30846,Cc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccncn5)cc4F)n23)n1,SCTMGZFCAGLJLF-UHFFFAOYSA-N,3,1,0.269,10,543,462.452,3.61,6,0.387,0.62,0.842,0.2370639435268316,0.2684617229799191,0.332396682886711,0.3821276814474676,0.3050125077102323
EOS-3-30847,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccccc4)nn3)n12,RDJYDXNRLHGDGE-UHFFFAOYSA-N,3,1,0.633,19,198,412.428,4.009,5,0.419,0.88,1.0,0.8168391474196423,0.8089747104379412,0.5955726132547461,0.6513775615105202,0.7181910081557124
EOS-3-30848,Fc1ccc(-c2nnc3cncc(OCCc4cncnn4)n23)cc1-c1cncnc1,VJZKGVCPYAKVPD-UHFFFAOYSA-N,3,1,0.529,20,494,415.392,2.194,5,0.411,0.72,1.0,0.8396271674319786,0.8521691453635802,0.3470461243232129,0.38213624837228427,0.6052446713727639
EOS-3-30849,Fc1cc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)ncc1Cl,ABJIHUXKDPCNNR-UHFFFAOYSA-N,3,1,0.535,2,422,433.834,4.015,5,0.413,0.64,1.0,0.6461860050716195,0.7089644301281612,0.7523901720238503,0.7714258789664862,0.7197416215475293
EOS-3-30851,Cc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,HHNOVAAXGXENSZ-UHFFFAOYSA-N,3,1,0.483,13,145,432.846,5.142,5,0.391,0.8,1.0,0.7580100747035844,0.7886882324720719,0.8605818655335481,0.8615499280378316,0.817207525186759
EOS-3-30852,Fc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,XWLQCRJEKXAUKN-UHFFFAOYSA-N,3,1,0.329,69,696,445.461,5.116,6,0.375,0.8,0.994,0.2906928928791721,0.437461448838325,0.8417517647865123,0.8598536769241313,0.6074399458570352
EOS-3-30853,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,WOHHWJXQMYAAMJ-UHFFFAOYSA-N,3,1,0.473,75,583,444.886,3.622,5,0.391,0.63,1.0,0.70071448152971,0.6403604961962854,0.17233225961208964,0.2138047426495785,0.4318029949969159
EOS-3-30854,Fc1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)cn1,GTICGZZERVXYKN-UHFFFAOYSA-N,3,1,0.506,73,539,451.824,4.154,5,0.371,0.71,1.0,0.8396357343567953,0.955434857103694,0.7926632855870057,0.8243009389349599,0.8530087039956138
EOS-3-30855,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c(F)c2)nn1,MRESTIJDZGFWQA-UHFFFAOYSA-N,3,1,0.5,34,31,451.824,4.154,5,0.371,0.71,1.0,0.8222020423548763,0.8700654513055993,0.8155455417723254,0.8384534987320952,0.8365666335412241
EOS-3-30856,CC(C)n1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccnn4)n23)cc1F,JFNSZCLWHGOQQW-UHFFFAOYSA-N,3,1,0.506,36,610,431.435,3.139,5,0.403,0.64,0.997,0.4205589061750394,0.49982866150366667,0.22308272222602973,0.16312281543417176,0.3266482763347269
EOS-3-30857,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)cn1,JRLQBEUZABVERV-UHFFFAOYSA-N,3,1,0.298,70,812,422.412,2.699,6,0.421,0.62,0.998,0.16503323966828867,0.06391782605715852,0.13488623123843466,0.1271845658282503,0.12275546569803306
EOS-3-30858,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ccn2)cn1,YOBHKZUYOVRTQX-UHFFFAOYSA-N,3,1,0.5,65,329,448.437,3.364,5,0.377,0.64,1.0,0.47698923994243025,0.33841923103282845,0.540076074292372,0.48233500102803095,0.4594548865739154
EOS-3-30859,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3cnc(C(F)(F)F)nc3)n12,SMHRNDQDVAEZOT-UHFFFAOYSA-N,3,1,0.456,27,679,467.386,4.38,5,0.354,0.76,1.0,0.9552121170584607,0.9319357823315743,0.92541635254609,0.8461037625933795,0.9146670036323761
EOS-3-30860,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)cn4)n23)cc1)N1CCC(F)C1,NUJMODWAYUGCMA-UHFFFAOYSA-N,3,1,0.306,52,376,470.533,4.766,6,0.378,0.76,1.0,0.10007024878349667,0.0639263929819752,0.13187924062778425,0.29614145706257283,0.14800433486395725
EOS-3-30861,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ncn2)nn1,QIHOSFJAVJQLAL-UHFFFAOYSA-N,3,1,0.406,31,481,429.419,2.502,5,0.375,0.64,0.984,0.6675861832636557,0.4857103694057981,0.22668083064903022,0.20159687478582689,0.39539356452607777
EOS-3-30862,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4cc(F)ccc4F)n23)cn1,CCNJAIKNNCTXHV-UHFFFAOYSA-N,3,1,0.333,10,219,468.431,3.384,6,0.387,0.62,0.952,0.18732437804125832,0.3244123089575766,0.39589472962785277,0.5008909601809335,0.3521305942019053
EOS-3-30863,Fc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccnc(Cl)c5)n4)n23)c1,SVIVZQTXUPNBOC-UHFFFAOYSA-N,3,1,0.472,59,692,450.836,4.759,5,0.359,0.78,1.0,0.8195120279624426,0.852177712288397,0.8929648413405524,0.9171749708724556,0.8704573881159618
EOS-3-30864,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)cn5)n4)n23)c(C)n1,OOLBVNCOYYVDQU-UHFFFAOYSA-N,3,1,0.452,7,390,446.421,3.512,5,0.404,0.6,0.993,0.6231409773147831,0.6554982523473374,0.40676615722020426,0.3465406757590295,0.5079865156603386
EOS-3-30865,Clc1cc(-c2cn[nH]c2)ccc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,NQDQCOFBYOCQRV-UHFFFAOYSA-N,3,1,0.302,30,696,450.893,4.959,6,0.407,0.77,0.997,0.2555170995819341,0.3483654307449798,0.732617709546981,0.8121958741690083,0.5371740285107258
EOS-3-30866,Cn1cc(-c2nccnc2-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cn1,GJPAENINBRYERI-UHFFFAOYSA-N,3,1,0.447,65,324,417.408,2.137,5,0.413,0.68,0.917,0.4459255705571928,0.2684702899047358,0.14124288945240215,0.15272256870673703,0.25209032965526695
EOS-3-30867,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c2)cn1,YJYPWWLEHDIVOB-UHFFFAOYSA-N,3,1,0.466,92,36,419.836,2.609,5,0.4,0.68,1.0,0.2934257418956891,0.39574052498115275,0.39212528270851893,0.3629377698581317,0.36105732986087313
EOS-3-30868,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)ncn2)nc1,SHJDSDMRLHSYRA-UHFFFAOYSA-N,3,1,0.402,44,481,450.384,3.077,5,0.389,0.6,0.953,0.6492015626070866,0.5934651497498458,0.5861489959564115,0.6136916592419985,0.6106268418888356
EOS-3-30869,CCc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5ccc(C)nn5)n4)n23)cn1,YWINASPGKMIWEF-UHFFFAOYSA-N,3,1,0.385,53,587,443.446,3.022,5,0.39,0.61,0.607,0.4620485230621616,0.4681139058323624,0.114968131039682,0.0962322664656295,0.28534070659995886
EOS-3-30870,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cnccc5C#N)n34)ncn2)cn1,GPHCNDKYQRPJEH-UHFFFAOYSA-N,3,1,0.396,31,194,438.455,2.353,5,0.375,0.62,1.0,0.29070145980398876,0.10744637105064767,0.20570899869782744,0.16086114728257145,0.19117949420875885
EOS-3-30871,COc1ncncc1Oc1cncc2nnc(-c3ccc(-c4ccccn4)c(F)c3)n12,NFBIDDFTBOJIIL-UHFFFAOYSA-N,3,1,0.457,13,374,415.388,3.583,5,0.429,0.73,0.999,0.9185885134672058,0.7886967993968885,0.5600455760400247,0.45783359605236107,0.6812911212391201
EOS-3-30872,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)nc2)cn1,BSLCBJCUQPNHGT-UHFFFAOYSA-N,3,1,0.312,64,543,464.88,3.816,6,0.383,0.64,0.844,0.13228188609416763,0.1936039339318758,0.26251627715715165,0.3851432389829347,0.24338633404153245
EOS-3-30873,Cc1ncc(-c2nnc3cncc(Cc4cc(F)c(-c5nnccc5C)cc4Cl)n23)cn1,BWNOQZMWNWSFNS-UHFFFAOYSA-N,3,1,0.311,85,81,446.877,4.038,5,0.411,0.58,0.961,0.33671441299431154,0.3957490919059694,0.6081916935096977,0.6164330751833322,0.4892720683983277
EOS-3-30874,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)cn2)n1,UHDZQCYQMRLELE-UHFFFAOYSA-N,3,1,0.282,86,312,433.439,2.594,6,0.412,0.56,1.0,0.0038722500171338497,0.012242135563018298,0.14403570694263587,0.14266499897196902,0.07570377287368926
EOS-3-30875,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2F)no1,WOSLVGUVBUKERK-UHFFFAOYSA-N,3,1,0.489,27,69,454.372,3.595,5,0.379,0.73,1.0,0.617752381605099,0.6993951751079432,0.5955811801795627,0.4945171681173326,0.6018114762524844
EOS-3-30876,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsn6)cn5)n34)cc2)no1,PWVJFYUDUYVKSU-UHFFFAOYSA-N,3,1,0.338,38,983,425.437,3.422,6,0.418,0.63,1.0,0.17571619491467344,0.15996162017682133,0.24115893358919882,0.2575388938386677,0.2085939106298403
EOS-3-30877,Fc1cc(F)c(F)c(Oc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)c1,PJXXOHWDYQWAGE-UHFFFAOYSA-N,3,1,0.461,13,145,420.354,4.458,5,0.4,0.76,1.0,0.7870176821328216,0.8643170447536153,0.9376927558083751,0.9332036872044411,0.8805577924748133
EOS-3-30878,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)ccc1-c1ccnnc1,SYAUNQPVAJLLHU-UHFFFAOYSA-N,3,1,0.357,53,662,447.89,3.172,5,0.39,0.65,1.0,0.2478925364950997,0.34837399766979643,0.16566719210472208,0.15814543211568774,0.2300197895963265
EOS-3-30879,Cc1nc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)no1,VWAOCTHESHDDPO-UHFFFAOYSA-N,3,1,0.523,40,120,463.461,3.581,6,0.361,0.73,1.0,0.4113237612226715,0.3818449729285176,0.10929682681104791,0.10663251319306422,0.2522745185388253
EOS-3-30880,Cn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3ccc(-c4cncnc4)nc3)n12,RCHSTTMVULVVEQ-UHFFFAOYSA-N,3,1,0.32,94,754,451.429,2.64,6,0.372,0.63,0.982,0.12090500993763278,0.26847885682955247,0.1348947981632513,0.19053697484750873,0.17870390994448634
EOS-3-30881,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)c(F)n4)n23)n(C)n1,OXMGYFZBCWBNOW-UHFFFAOYSA-N,3,1,0.376,53,662,437.464,2.773,5,0.386,0.64,0.999,0.3038945240216572,0.3287557398396272,0.042945994105955725,0.030318346926187376,0.17647865122335685
EOS-3-30882,OCc1cnc(COc2cncc3nnc(-c4cc(Cl)c(-c5ncco5)cn4)n23)cn1,BXWUPLVMYYFJKN-UHFFFAOYSA-N,3,1,0.44,7,535,436.819,2.356,5,0.422,0.61,1.0,0.49668460009594956,0.48571893633061475,0.21967308614899594,0.22216606127064628,0.35606067096155164
EOS-3-30883,Cc1ccc(-c2nnc3cncc(OCc4csc(-c5ccc(C#N)nc5)c4)n23)nc1,BDTZCEAEVNAXIA-UHFFFAOYSA-N,3,1,0.477,33,348,425.477,4.069,5,0.418,0.7,1.0,0.5952299362620793,0.5269172777739702,0.5668562812692756,0.47626961825783015,0.5413182783907888
EOS-3-30884,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)n1,KPILKMBRUACRLM-UHFFFAOYSA-N,3,1,0.474,11,275,461.888,4.366,5,0.371,0.71,1.0,0.8195205948872593,0.7967411417997395,0.47122369954081283,0.5411812075937221,0.6571666609553835
EOS-3-30885,Fc1cc(-c2cnc(-c3nnc4cncc(Cc5ccc(C(F)F)cn5)n34)cn2)ccn1,MMDQGIQSHHBVGO-UHFFFAOYSA-N,3,1,0.297,85,674,434.385,3.706,5,0.389,0.61,1.0,0.3192121855938592,0.38185353985333426,0.8033890754574737,0.7854242341169214,0.5724697587553972
EOS-3-30886,N#Cc1ncc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5ccc(F)nc5)c4)n23)cn1,PCWUJBIKLWTWQD-UHFFFAOYSA-N,3,1,0.281,86,151,461.424,2.902,6,0.363,0.62,1.0,0.005542800356384072,0.159970187101638,0.4319786169556576,0.42939997258584056,0.25672289424988004
EOS-3-30887,COc1ncc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1cccc(F)c1,XATFWNJWGBHRSP-UHFFFAOYSA-N,3,1,0.538,35,429,460.444,4.157,5,0.36,0.74,1.0,0.8666472483037488,0.7930316633541225,0.7663713933246522,0.7141645534918786,0.7850537146186005
EOS-3-30889,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4ccon4)cn3)n12,QDHTWFHGOUAUNW-UHFFFAOYSA-N,3,1,0.524,73,446,423.795,3.608,5,0.422,0.68,1.0,0.679931121924474,0.82466074977726,0.5892416558152286,0.6427335343705024,0.6841417654718662
EOS-3-30890,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)n2)nc1,OWVGEXPKBRQBKW-UHFFFAOYSA-N,3,1,0.422,7,48,436.798,2.2,5,0.378,0.59,1.0,0.6647076965252553,0.7414673428825989,0.16908539510657256,0.21068638201631143,0.4464867041326845
EOS-3-30891,OCc1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(Br)s5)c4)n23)cn1,YOVPNJOUGFPGLX-UHFFFAOYSA-N,3,1,0.397,82,859,466.324,3.627,5,0.432,0.61,0.999,0.2067027619765609,0.3384277979576451,0.44308991844287576,0.4262216434788568,0.35361053046398466
EOS-3-30892,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1F,LXVAHXGRKXTUBG-UHFFFAOYSA-N,3,1,0.524,16,353,435.85,3.958,5,0.389,0.67,1.0,0.8920824480844356,0.8284044959221438,0.7567164690562675,0.7459992461106162,0.8058006647933658
EOS-3-30893,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cn1,WDHCUJVQQZMBDY-UHFFFAOYSA-N,3,1,0.378,7,564,449.837,3.113,5,0.398,0.58,1.0,0.6769412651634569,0.5596429305736413,0.4952367898019327,0.4975584264272497,0.5573448529915701
EOS-3-30894,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,CYLLGFTVNODCPK-UHFFFAOYSA-N,3,1,0.469,2,265,448.849,3.452,5,0.389,0.61,1.0,0.7954903707765061,0.8168648481940922,0.6315708313343842,0.6628743746144884,0.7267001062298677
EOS-3-30895,Fc1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)ccc1-c1cnccn1,DWWGTPNXHXGRNV-UHFFFAOYSA-N,3,1,0.523,20,324,448.849,3.452,5,0.389,0.61,1.0,0.8752827085189501,0.9287831539990405,0.46081488588856145,0.5347217462819547,0.6999006236721267
EOS-3-30896,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c(F)c2)nn1,HGXNHVKWRRTFQA-UHFFFAOYSA-N,3,1,0.473,34,146,459.391,4.116,5,0.39,0.69,1.0,0.9534987320951271,0.9600866972791446,0.9457627989856761,0.9402885340278254,0.9499091905969432
EOS-3-30897,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)n1,BQWYHOBTIDTVQV-UHFFFAOYSA-N,3,1,0.467,55,486,449.837,3.113,5,0.373,0.62,1.0,0.7524587074223836,0.6359142622164348,0.3995699403742033,0.41354259475018845,0.5503713761908026
EOS-3-30898,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)c2)ncn1,AHQKUUCMWOCCFG-UHFFFAOYSA-N,3,1,0.489,46,238,421.424,2.797,5,0.421,0.62,1.0,0.49932321293948323,0.31968336645877593,0.43966314851620864,0.32738503186896034,0.39651368994585706
EOS-3-30899,Fc1cccc(-c2noc(-c3nnc4cncc(-c5cn(-c6cncc(F)c6)nn5)n34)n2)c1,OTZYYXJXRQOATO-UHFFFAOYSA-N,3,1,0.341,10,872,444.365,2.762,6,0.403,0.61,1.0,0.04370845041463916,0.0817284627510109,0.2519446919333836,0.3885700089096018,0.19148790350215886
EOS-3-30901,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2)cn1,CEIDFXMHSVJZSN-UHFFFAOYSA-N,3,1,0.563,15,922,427.443,3.712,5,0.408,0.63,1.0,0.9264358165992735,0.8965886505380029,0.5198752655746693,0.4672143787266123,0.7025285278596396
EOS-3-30902,CCn1ncnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cncn5C)cn4)n23)ccn1,XITVRWJRDVIFPI-UHFFFAOYSA-N,3,1,0.26,86,652,449.482,2.927,6,0.394,0.61,0.999,0.05643890069220753,0.01137687615653485,0.07774484271126036,0.07614282777054349,0.05542586183263656
EOS-3-30903,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(OCc3cncc(-c4ncon4)n3)n12,ZVBNZSCHHVVTEP-UHFFFAOYSA-N,3,1,0.528,7,815,456.344,2.951,5,0.361,0.67,1.0,0.7255328627235967,0.7801898430539373,0.655352614625454,0.6164416421081489,0.6943792406277842
EOS-3-30904,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,QXSGLRGEKVSYRV-UHFFFAOYSA-N,3,1,0.6,11,503,446.873,4.662,5,0.353,0.75,1.0,0.8117846617778083,0.8246693167020767,0.8189723116989925,0.8496676033171133,0.8262734733739977
EOS-3-30905,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)cn1,FJSHTDTXYGMEAX-UHFFFAOYSA-N,3,1,0.722,11,525,446.873,4.662,5,0.353,0.75,1.0,0.8940185730930026,0.9270526351860736,0.8432424097046124,0.8615584949626482,0.8814680282365842
EOS-3-30906,N#Cc1cc(-c2nnc3cncc(OCc4nc(-c5ccns5)no4)n23)ccc1Cl,MNRHNLFJZGAKPI-UHFFFAOYSA-N,3,1,0.494,16,85,436.844,3.402,5,0.407,0.64,1.0,0.6260537317524502,0.7547032417243507,0.2956959769721061,0.39472106092796927,0.5177935028442191
EOS-3-30907,Fc1ccc(Cl)nc1-n1cc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,IEYCAQYMSGVEAW-UHFFFAOYSA-N,3,1,0.505,96,121,457.803,4.433,5,0.363,0.78,1.0,0.06516859708039202,0.5786101021177438,0.9262730450277569,0.9332122541292578,0.6258159995887876
EOS-3-30908,CNC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5conn5)c4)n23)cc1,NFIOUQJKEKMPHB-UHFFFAOYSA-N,3,1,0.494,89,805,432.419,3.003,5,0.387,0.65,1.0,0.6090912206154478,0.3580803234870811,0.7042697553286272,0.583116304571311,0.5636394010006167
EOS-3-30909,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)n(C)n1,DIRAOTDOAUYAMN-UHFFFAOYSA-N,3,1,0.307,76,812,447.466,2.809,6,0.401,0.58,1.0,0.06163902405592488,0.03170618874648756,0.053303406209307104,0.051735658967856896,0.04959606949489411
EOS-3-30910,Cn1nccc1-c1nccnc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,UTUPWIJNAPMRNH-UHFFFAOYSA-N,3,1,0.457,92,69,435.398,2.893,5,0.401,0.62,0.974,0.4388749914330752,0.45043177301076004,0.38113391816873415,0.2992855184702899,0.3924315502707148
EOS-3-30911,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)c1,CXCJHOQJPTVBKQ-UHFFFAOYSA-N,3,1,0.376,7,211,430.447,3.491,5,0.407,0.63,1.0,0.40697176341580427,0.2633044342402851,0.43198718388047425,0.3180385168939757,0.35507547460763483
EOS-3-30912,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)c2)cn1,GGVOFXYRCLAEMS-UHFFFAOYSA-N,3,1,0.25,70,719,433.439,2.501,6,0.412,0.56,0.994,0.02205126447810294,0.012250702487834967,0.2266893975738469,0.21652902474127886,0.11938009732026592
EOS-3-30913,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cnn2)s1,XSQBZWRTPLCVOB-UHFFFAOYSA-N,3,1,0.494,53,226,437.876,3.036,5,0.382,0.64,0.961,0.4597868549105613,0.5131930642176684,0.11190973888013159,0.15531834692618737,0.3100520012336372
EOS-3-30914,Clc1cnnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cn2)c1,VPSBMPXMDFMXCT-UHFFFAOYSA-N,3,1,0.292,86,790,453.857,2.939,6,0.396,0.59,0.973,0.009389349599067918,0.13360119251593447,0.26968679322870265,0.3370827907614283,0.18744003152628333
EOS-3-30915,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)ccn1,HPTWBNXBTFFBOW-UHFFFAOYSA-N,3,1,0.446,18,194,448.849,3.452,5,0.364,0.62,1.0,0.8168477143444589,0.780198409978754,0.592479953395929,0.610479062435748,0.7000012850387224
EOS-3-30916,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)nc5)n34)c(F)c2)n1,APBVIABVHVNJCW-UHFFFAOYSA-N,3,1,0.284,39,972,469.419,2.779,6,0.358,0.65,0.969,0.18733294496607497,0.2684874237543691,0.2735247755465698,0.35299157014598037,0.27058417860324857
EOS-3-30917,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ncn2)cn1,AYBAHJCJBPAXBN-UHFFFAOYSA-N,3,1,0.398,44,971,417.379,4.022,5,0.436,0.73,1.0,0.6177609485299157,0.612338085120965,0.7685645260777192,0.7355218970598314,0.6835463641971078
EOS-3-30918,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4ocnc4-c4ccccc4)n23)cc1,FRTOAPWWUCUTJM-UHFFFAOYSA-N,3,1,0.382,64,365,447.458,4.579,6,0.378,0.73,1.0,0.24497978205743268,0.07479782057432664,0.35482489205674733,0.35610993077924746,0.25767810636693855
EOS-3-30919,Fc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)nc5)n34)n2)ccn1,AHWGGJWCLXYLTG-UHFFFAOYSA-N,3,1,0.274,99,286,428.355,0.543,6,0.389,0.61,0.999,0.026591734630936878,0.1562949763552875,0.023250633952436435,0.03886813789322185,0.06125137070797067
EOS-3-30920,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cn2)nn1,PJSQOLVTEBGPFM-UHFFFAOYSA-N,3,1,0.289,50,432,410.401,1.508,5,0.465,0.77,0.999,0.08334761154136111,0.026403262284970187,0.06294119662805839,0.041343979165238846,0.05350901240490713
EOS-3-30921,c1cncc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)c1,VHWQLVYSZFZPCO-UHFFFAOYSA-N,3,1,0.272,10,620,418.424,2.891,6,0.429,0.65,1.0,0.008087177026934412,0.013561441984785141,0.20203378795147695,0.2484322527585498,0.11802866493043657
EOS-3-30922,COCc1nc(COc2cncc3nnc(-c4ccc(-c5scnc5C#N)cc4)n23)no1,JWXZSQHYTLNQDE-UHFFFAOYSA-N,3,1,0.421,15,248,446.452,2.895,5,0.367,0.65,1.0,0.5530892330888905,0.504386265506134,0.0940477006373792,0.08304776917277774,0.3086427421012954
EOS-3-30923,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ncn2)ncn1,SITGCPAHOACYGZ-UHFFFAOYSA-N,3,1,0.409,44,488,450.384,3.343,5,0.376,0.64,0.8,0.7814063463779042,0.6601158248235214,0.7885425947501885,0.7299962305530807,0.7400152491261736
EOS-3-30924,Cn1cnnc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,UFQAFOYDCZVKAN-UHFFFAOYSA-N,3,1,0.452,18,265,451.853,2.791,5,0.387,0.59,1.0,0.5776591734630937,0.472483037488863,0.3509954766636968,0.4008207113974368,0.45048959975327263
EOS-3-30925,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)o1,YSRASSLZNXNPBC-UHFFFAOYSA-N,3,1,0.61,4,439,436.834,4.521,5,0.374,0.74,1.0,0.6177695154547324,0.6308083750257008,0.7452110890274827,0.7246676033171133,0.6796141457062572
EOS-3-30926,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cn2)n1,YIBHVFUCNFDQTK-UHFFFAOYSA-N,3,1,0.543,84,73,446.421,3.246,5,0.392,0.62,1.0,0.8396443012816119,0.8670498937701323,0.5057569734768008,0.49135597285998217,0.6759517853471319
EOS-3-30927,Cc1noc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cc2Cl)n1,ZPEJFXAIYCHLHU-UHFFFAOYSA-N,3,1,0.325,98,882,471.872,3.056,6,0.376,0.66,1.0,0.17869748475087383,0.23258344184771435,0.05893187581385786,0.09421047220889589,0.14110581865533547
EOS-3-30928,Cc1ncc(-c2cccnc2)c(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,OVPOIZUBZHRWFD-UHFFFAOYSA-N,3,1,0.385,33,53,479.504,2.818,6,0.374,0.74,0.999,0.25552566650675074,0.1105475978342814,0.05331197313412377,0.05304639846480707,0.11810790898499075
EOS-3-30929,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4scnc4Cl)n23)cc1F,DWAIGNWWSJXDHW-UHFFFAOYSA-N,3,1,0.565,26,125,455.906,4.062,5,0.384,0.66,1.0,0.7757093413748201,0.7630217257213351,0.49186998834898227,0.5476663696799396,0.6445668562812692
EOS-3-30930,Cc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)no1,KOIJPDXXRMIPQT-UHFFFAOYSA-N,3,1,0.511,56,8,466.465,2.919,6,0.36,0.69,1.0,0.3667414844767322,0.18071927900760743,0.12903502158865054,0.09037248989102871,0.19171706874100472
EOS-3-30931,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)c(F)c1,CZYYBFKPXIQTRY-UHFFFAOYSA-N,3,1,0.316,39,136,466.415,3.441,6,0.385,0.62,0.943,0.27170002056061954,0.3384363648824618,0.21277671167157838,0.3240867658145432,0.2867499657323007
EOS-3-30932,Cn1cc(-c2ccc(Cc3cncc4nnc(-c5cccc(-c6cocn6)c5)n34)cc2)nn1,VGPAOEAASFJHGM-UHFFFAOYSA-N,3,1,0.352,77,764,434.463,3.833,6,0.406,0.61,1.0,0.10278596395038037,0.0559677198272908,0.4430984853676924,0.4198906860393393,0.2554357137961757
EOS-3-30933,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)cc5F)n34)nc2)nn1,NZMZNHQJIDQLGL-UHFFFAOYSA-N,3,1,0.449,13,706,417.379,4.022,5,0.436,0.73,1.0,0.6288037146186005,0.8011274073058735,0.7326262764717977,0.6973990816256597,0.7149891200054828
EOS-3-30934,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)cn1,RBCKEAYNSCYZBT-UHFFFAOYSA-N,3,1,0.435,51,48,447.846,2.674,5,0.383,0.58,1.0,0.6090997875402645,0.6259337948050168,0.17871461860050716,0.1452008087177027,0.38973725241587276
EOS-3-30935,Cc1cc(-c2nc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)n(C)n1,JSCOFVRPAYXQHE-UHFFFAOYSA-N,3,1,0.381,85,476,450.428,3.958,5,0.403,0.64,0.956,0.282417243506271,0.42838050853265713,0.6257624563086834,0.5508961003358235,0.47186407717085876
EOS-3-30936,Cc1cc(COc2cncc3nnc(-c4ccc(-c5csc(C)n5)c(F)n4)n23)n(C)n1,JALOWPLTFOQUID-UHFFFAOYSA-N,3,1,0.391,31,662,436.476,3.378,5,0.39,0.64,0.895,0.31168185868000825,0.3675553423343157,0.13813309574395174,0.09231718182441231,0.227421869645672
EOS-3-30937,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)nc1,DUQROKJWVNVMQT-UHFFFAOYSA-N,3,1,0.267,86,813,421.428,2.23,6,0.425,0.62,1.0,0.000719621684600096,0.008087177026934412,0.11191830580494826,0.0983054622712631,0.05475764169693646
EOS-3-30938,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccncn5)nn4)n23)cc1,UFPGLOXEQMHTHA-UHFFFAOYSA-N,3,1,0.327,98,42,421.428,2.229,6,0.425,0.62,1.0,0.006031115070934137,0.009483585772051264,0.1318878075526009,0.13563155369748475,0.07075851552326776
EOS-3-30939,CCn1nc(-c2nc(C)nn2C)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,XBIMERUASVBTFF-UHFFFAOYSA-N,3,1,0.371,31,105,450.894,2.739,5,0.388,0.64,0.999,0.19554005894044274,0.3144318415461586,0.013475772736618463,0.01805907751353574,0.1353766876841889
EOS-3-30940,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ncnn5C)n34)nc2)n1,KSHRJRNQQGAPKB-UHFFFAOYSA-N,3,1,0.247,99,286,438.419,0.629,6,0.38,0.59,0.971,0.04660407100267288,0.02885340278253718,0.0038208484682338427,0.0020988965800836134,0.020344304708381878
EOS-3-30941,Cn1nccc1-c1nnc2cncc(OCc3nc(-c4cc(F)cc(F)c4F)n(C)n3)n12,LANDVIJOJDRUMF-UHFFFAOYSA-N,3,1,0.418,36,404,441.377,2.317,5,0.386,0.62,0.999,0.3760622986772668,0.45044033993557675,0.2811322047837708,0.3337845247070112,0.3603548420259064
EOS-3-30942,Cc1cc(-c2nncn2C)ncc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3F)n12,WDDAZTYACOVUOM-UHFFFAOYSA-N,3,1,0.315,99,866,468.46,2.287,6,0.382,0.6,1.0,0.17870605167569048,0.28380508532657117,0.09182886710986224,0.12058803371941608,0.168732009457885
EOS-3-30943,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cnn2)nn1,VQAKJKCIXXKCSZ-UHFFFAOYSA-N,3,1,0.438,13,251,418.367,3.417,5,0.437,0.66,1.0,0.5581094510314577,0.6505123021040368,0.5955897471043794,0.6041909396203139,0.6021006099650469
EOS-3-30944,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cn2)n[nH]1,JBVOCLUJTMAOFR-UHFFFAOYSA-N,3,1,0.293,86,812,422.412,2.997,6,0.454,0.6,0.999,0.24498834898224933,0.18480570214515799,0.1690939620313892,0.15532691385100406,0.18855373175245016
EOS-3-30945,COc1cnc(-c2cc(Cc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)ccc2F)nc1,BESCSIHCNKHPQZ-UHFFFAOYSA-N,3,1,0.423,14,358,460.9,4.949,5,0.369,0.79,1.0,0.7193304091563293,0.7274775546569804,0.8464378726612295,0.8243095058597766,0.779388835583579
EOS-3-30946,CCc1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4F)n23)ccc1F,GDHXKCWJSLUGMI-UHFFFAOYSA-N,3,1,0.552,1,92,444.445,4.668,5,0.379,0.77,1.0,0.7285655541086972,0.8318741004728942,0.7117658145432115,0.6861935439654582,0.7395997532725652
EOS-3-30947,OCc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cn1,VUZGNGBASFMBJY-UHFFFAOYSA-N,3,1,0.5,7,212,464.848,2.902,5,0.403,0.64,1.0,0.6091083544650813,0.6649561373449386,0.5633695428688917,0.5542543348639573,0.5979220923857173
EOS-3-30948,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)c1F,QYFXTRCXAOWAEU-UHFFFAOYSA-N,3,1,0.435,2,36,416.42,3.008,5,0.435,0.73,1.0,0.4227948735521897,0.3818621067781509,0.5702145157974093,0.4419762182167089,0.4542119285861147
EOS-3-30949,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cc(=O)[nH]2)nn1,OHELSWASYXQZBY-UHFFFAOYSA-N,3,1,0.457,20,658,427.428,1.657,5,0.429,0.59,0.953,0.2637327804811185,0.11055616475909807,0.11192687272976493,0.08840209718319512,0.14365447878829415
EOS-3-30950,Cn1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1ccc(F)c(F)c1,KMPVWOJTHGQYII-UHFFFAOYSA-N,3,1,0.614,19,570,466.879,4.745,5,0.361,0.81,1.0,0.6231495442395998,0.6403690631211021,0.8718902062915496,0.9013518607360702,0.7591901685970803
EOS-3-30951,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(Cl)nn5)nc4)n23)cn1,XEFHHNATTMEBNC-UHFFFAOYSA-N,3,1,0.281,99,286,468.872,2.549,6,0.379,0.62,0.992,0.18441162360359126,0.1936125008566925,0.08203687204441094,0.12719313275306696,0.14681353231444041
EOS-3-30952,FCc1ncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1F,AXHPPSFETZGYQZ-UHFFFAOYSA-N,3,1,0.5,1,700,430.418,4.436,5,0.396,0.73,1.0,0.82481495442396,0.7136162703036119,0.7401823041600987,0.7194760468782126,0.7495223939414708
EOS-3-30953,Cc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)c1,ZKHZILAKCIAUHG-UHFFFAOYSA-N,3,1,0.272,10,748,466.896,3.853,6,0.385,0.67,0.412,0.00809574395175108,0.10074703584401343,0.21610924542526214,0.372524158727983,0.1743690459872524
EOS-3-30954,FC(F)(F)c1cccc(COCc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,OYWJMZOPVWXKFM-UHFFFAOYSA-N,3,1,0.602,48,225,418.806,5.18,4,0.448,0.84,1.0,0.8534627510108971,0.9480073332876431,0.9970358440134329,0.9966331985470496,0.9487847817147557
EOS-3-30955,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)c(F)cn2)c1,XQBXRFBMFBLWCV-UHFFFAOYSA-N,3,1,0.458,73,699,449.396,3.682,5,0.391,0.62,1.0,0.8142433692001919,0.842402851072579,0.7375865259406483,0.7587896648619011,0.7882556027688301
EOS-3-30956,O=c1ccccn1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)s4)n23)cc1F,CJAGCDDPZRXFKH-UHFFFAOYSA-N,3,1,0.547,4,71,454.874,3.77,5,0.402,0.65,1.0,0.3690117195531492,0.4329980810088411,0.5600541429648414,0.6251028030978,0.4967916866561579
EOS-3-30957,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)n2)nc1,ZNCCATNLHRVZEK-UHFFFAOYSA-N,3,1,0.281,10,880,454.845,2.334,6,0.39,0.59,0.988,0.017313755054485642,0.12331231581111644,0.028493591940237133,0.10449078198889726,0.06840261119868411
EOS-3-30958,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)c1,GBPHNZHRLUPCNK-UHFFFAOYSA-N,3,1,0.471,16,921,418.848,3.214,5,0.432,0.66,1.0,0.42757521759989037,0.4769464053183469,0.33583201973819476,0.34339661435131247,0.39593756425193616
EOS-3-30959,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nc2)ccn1,HMHJBLAOUQVJPJ-UHFFFAOYSA-N,3,1,0.562,97,969,413.416,3.67,5,0.434,0.78,1.0,0.8811339181687341,0.8552275375231307,0.5892502227400452,0.5445822767459393,0.7175484887944623
EOS-3-30960,Cc1ncoc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ncn1,KJRFMTODGWZISL-UHFFFAOYSA-N,3,1,0.442,31,194,434.847,3.215,5,0.397,0.62,0.684,0.5637293537111918,0.45506647933657735,0.17872318552532382,0.20160544171064354,0.3497811150709341
EOS-3-30961,Clc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)nc1,FJWPKKGWLBTUNH-UHFFFAOYSA-N,3,1,0.453,65,65,432.835,2.103,5,0.393,0.57,1.0,0.6036854910561305,0.6943064217668425,0.07976663696799396,0.11601329586731547,0.37344296141457056
EOS-3-30962,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)ccc2F)n1,JAZXKZPDXDKCDM-UHFFFAOYSA-N,3,1,0.5,34,469,453.84,4.097,5,0.398,0.65,1.0,0.6260622986772668,0.7547118086491673,0.8663902405592488,0.8615670618874649,0.777182852443287
EOS-3-30963,Cn1c(F)cnc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccn1,GIJHTOKWXGPCKR-UHFFFAOYSA-N,3,1,0.516,75,359,434.41,2.882,5,0.405,0.59,1.0,0.6432132821602358,0.4902679734082654,0.3775700774450003,0.3756425193612501,0.4716734630936879
EOS-3-30965,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)nn1,QXPKMEUVUHFOFP-UHFFFAOYSA-N,3,1,0.512,1,418,415.844,3.876,5,0.43,0.73,1.0,0.5747978205743266,0.5934737166746624,0.4918785552737989,0.5542629017887739,0.5536032485778906
EOS-3-30966,Fc1cnc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,BVBIXDLOEDSIEK-UHFFFAOYSA-N,3,1,0.426,55,875,435.81,2.805,5,0.384,0.62,1.0,0.6616150366664382,0.8318826673977109,0.2735333424713865,0.34991604413679667,0.5292367726680831
EOS-3-30967,Fc1ncccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1,NXJRQYXTMUXEOG-UHFFFAOYSA-N,3,1,0.406,80,584,467.428,2.541,6,0.363,0.66,0.994,0.5375059968473717,0.5545113426084572,0.23041600986909738,0.21653759166609554,0.3847427352477555
EOS-3-30968,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)nn1C,GAYUOAFGKHJFQE-UHFFFAOYSA-N,3,1,0.532,31,569,415.461,2.25,5,0.419,0.76,1.0,0.13749914330751833,0.0017647865122335687,0.07775340963607703,0.049294085395106574,0.06657785621273388
EOS-3-30969,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5F)n34)nc2)cn1,ZLTPZDPPEKSFLS-UHFFFAOYSA-N,3,1,0.325,32,714,437.438,4.653,6,0.399,0.71,1.0,0.18734151189089165,0.27357617709546983,0.7638184497292851,0.7406706188746488,0.49135168939757384
EOS-3-30971,Clc1cnc(CCOc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)nn1,NOOUNXCRZVYIQB-UHFFFAOYSA-N,3,1,0.506,15,438,436.888,3.375,5,0.399,0.61,1.0,0.6288122815434172,0.6943149886916592,0.12072510451648276,0.19588273593310945,0.4099337776711672
EOS-3-30972,CCOC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)cc1,AAQJYUICKVCQSG-UHFFFAOYSA-N,3,1,0.364,62,3,456.893,4.745,5,0.352,0.84,1.0,0.3143461722979919,0.46379617572476184,0.6231581111644164,0.5923600164484957,0.49841511890891643
EOS-3-30973,Cc1ccc(-c2nnc3cncc(C(F)c4ncc(-c5cncc(C#N)c5)s4)n23)nc1,PZSZGVHFFGRYNT-UHFFFAOYSA-N,3,1,0.327,85,647,428.456,3.944,5,0.427,0.66,1.0,0.10007881570831334,0.19819580563360975,0.5924885203207456,0.5243043657048866,0.3537668768418888
EOS-3-30974,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ncc1-c1nccn1C,LXTZOSCSJRORNY-UHFFFAOYSA-N,3,1,0.357,51,48,449.862,2.618,5,0.385,0.6,1.0,0.5221283668014529,0.38187067370296757,0.134903365088068,0.10449934891371393,0.2858504386265506
EOS-3-30975,Clc1ccnc(COc2cncc3nnc(-c4ccnc(C#Cc5ccccc5)c4)n23)c1,UBQJSFZVKMVMMX-UHFFFAOYSA-N,3,1,0.578,1,92,438.878,4.214,5,0.391,0.67,1.0,0.5581180179562745,0.6844458913028579,0.8189808786238092,0.8185182646837091,0.7200157631416627
EOS-3-30976,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,GQRUNOJLUWSBLT-UHFFFAOYSA-N,3,1,0.262,30,298,417.436,3.496,6,0.433,0.67,0.779,0.016302857926118842,0.016362826399835516,0.18521691453635802,0.2869834144335549,0.12621650332396683
EOS-3-30977,Fc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ccncc1,RELITKRAAFELGO-UHFFFAOYSA-N,3,1,0.543,35,846,413.416,3.404,5,0.421,0.79,1.0,0.8248235213487767,0.8614299910903982,0.595598314029196,0.5953070385854293,0.71928971626345
EOS-3-30978,CCn1cc(-c2cccc(-c3nnc4cncc(Cc5ccc(F)c(Cl)c5)n34)c2)cn1,FCFDIJPRBCPLRY-UHFFFAOYSA-N,3,1,0.38,14,358,432.89,5.058,5,0.389,0.79,1.0,0.3192207525186759,0.37221574943458297,0.8590055513672812,0.8740405044205332,0.6061206394352683
EOS-3-30979,COn1c(C)nnc1-c1cc(COc2cncc3nnc(-c4ccc(C)cc4)n23)n(C)n1,LRWYXZLGDYEDIJ-UHFFFAOYSA-N,3,1,0.5,36,926,431.46,2.038,5,0.402,0.66,0.712,0.36902028647796586,0.29446233979850595,0.030703858542937428,0.015060653827702008,0.17731178466177783
EOS-3-30980,Cc1nc(-c2snnc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncc1F,QAEXWEVUAFSXRZ-UHFFFAOYSA-N,3,1,0.369,50,243,441.402,3.547,5,0.417,0.62,0.986,0.1817901446096909,0.34838256459461314,0.3063617983688575,0.3465492426838462,0.29577093756425193
EOS-3-30981,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cnccn5)nn4)n23)cn1,HYGLFMBBDBCEBS-UHFFFAOYSA-N,3,1,0.5,65,324,431.847,2.708,5,0.374,0.6,1.0,0.6260708656020835,0.8784610376259337,0.1917963127955589,0.24844081968336645,0.4861922589267357
EOS-3-30982,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)cn2)n1,FGIJXFVOIWLLLM-UHFFFAOYSA-N,3,1,0.5,65,265,447.409,2.641,5,0.387,0.6,0.999,0.8222106092796929,0.8089832773627579,0.35100404358851345,0.3434051812761291,0.5814007778767732
EOS-3-30983,Cc1csc(COc2cncc3nnc(-c4cccc(-c5nc(C)n(C)n5)c4)n23)n1,SACQRPYRIJDUKH-UHFFFAOYSA-N,3,1,0.531,36,506,418.486,3.239,5,0.432,0.76,1.0,0.2259697758892468,0.2123912000548283,0.03188609416763759,0.016945377287368925,0.12179811184977041
EOS-3-30984,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ncn2)cn1,BBFKFIKFXCKNIU-UHFFFAOYSA-N,3,1,0.438,18,194,432.394,2.938,5,0.377,0.62,1.0,0.7193389760811459,0.6216331985470496,0.6020920430402302,0.5831248714961278,0.6315472722911384
EOS-3-30985,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)cnn4)n23)ccn1,IAHRBZXFMVYIBN-UHFFFAOYSA-N,3,1,0.466,18,87,432.394,2.938,5,0.377,0.62,1.0,0.6799396888492907,0.5685439654581591,0.6201682544033994,0.6137002261668152,0.6205880337194161
EOS-3-30986,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccn2)nc1,KLOYDOLUIJURKW-UHFFFAOYSA-N,3,1,0.549,75,262,432.394,2.938,5,0.377,0.62,1.0,0.8688061133575492,0.7414759098074155,0.4886830923171818,0.46722294565142897,0.641547015283394
EOS-3-30987,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)c(F)n3)n12,VCGLXJZWNZAZOD-UHFFFAOYSA-N,3,1,0.457,18,262,432.394,2.938,5,0.377,0.62,1.0,0.8322510451648276,0.7414844767322322,0.44663662531697623,0.4419847851415256,0.6155892330888905
EOS-3-30988,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)cc4)n23)c(F)c1,JRSYLTWTZSQUTN-UHFFFAOYSA-N,3,1,0.58,57,326,433.393,4.85,5,0.371,0.8,1.0,0.9506116784319101,0.9642416558152286,0.9698187238708793,0.9684480159002125,0.9632800185045576
EOS-3-30989,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)cc1F,SFYKVVREPRIBNT-UHFFFAOYSA-N,3,1,0.321,98,314,440.402,2.838,6,0.407,0.57,1.0,0.30390309094647383,0.3334761154136111,0.2811407717085875,0.30237817832910696,0.3052245390994448
EOS-3-30990,Cn1nc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)cc1-c1ccc(Cl)c(F)c1,SZJVHQCEGLQRRC-UHFFFAOYSA-N,3,1,0.5,95,998,460.86,3.83,5,0.392,0.66,0.907,0.48420259063806453,0.559651497498458,0.7926718525118224,0.7924405455417723,0.6572416215475293
EOS-3-30991,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nn4)n23)nc1,SIOFMBQGAWCIQL-UHFFFAOYSA-N,3,1,0.361,63,505,406.837,2.113,5,0.54,0.82,1.0,0.10279453087519703,0.13017442258926737,0.03189466109245425,0.0865687752724282,0.08785809745733672
EOS-3-30992,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cncnn6)n5)n34)cn2)cn1,PHILHPAFPVEDJA-UHFFFAOYSA-N,3,1,0.286,76,368,460.461,3.171,6,0.378,0.59,1.0,0.3116904256048249,0.17200671646905627,0.277542663285587,0.21915907065999587,0.24509971900486602
EOS-3-30993,N#Cc1cc(-c2cccc(-c3nnc4cncc(OCc5cnccn5)n34)c2)ccc1F,UPTOOZMBJQBMOI-UHFFFAOYSA-N,3,1,0.529,97,744,423.411,3.838,5,0.423,0.66,1.0,0.7071910766911109,0.7760006168185868,0.8590141182920978,0.8384620656569118,0.7951669693646768
EOS-3-30994,CCc1ncncc1-c1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1F,RRZSSYZWFOLESN-UHFFFAOYSA-N,3,1,0.489,20,658,442.458,3.361,5,0.378,0.63,0.997,0.8222191762045097,0.8388218764992118,0.354833458981564,0.31804708381879243,0.5834803988760194
EOS-3-30995,CCc1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)o1,SKXARNIPXTUSIL-UHFFFAOYSA-N,3,1,0.322,50,974,414.389,1.355,5,0.444,0.68,0.95,0.06164759098074155,0.052215406757590295,0.012447741758618326,0.006476595161400864,0.03319683366458776
EOS-3-30996,CCn1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)nc5)n34)cn2)c1,FXUFHZJLGBXLSI-UHFFFAOYSA-N,3,1,0.295,70,664,452.457,3.457,6,0.369,0.64,0.994,0.01321019806730176,0.11056473168391474,0.3138235898841752,0.2961500239873895,0.1834371359056953
EOS-3-30997,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)cc1F,UVCQOMIZDAVYFB-UHFFFAOYSA-N,3,1,0.306,42,957,465.427,4.046,6,0.384,0.66,1.0,0.2961500239873895,0.47249160441367966,0.6910509903365089,0.7406791857994655,0.5500929511342609
EOS-3-30998,Clc1ccc(CCOc2cncc3nnc(-c4cccnc4-c4ncc(Cl)cn4)n23)nc1,HRVYGRPABUQRCB-UHFFFAOYSA-N,3,1,0.539,73,263,465.304,3.967,5,0.371,0.67,0.997,0.8195291618120759,0.8129925981769583,0.3177301076005757,0.4451545473236927,0.5988516037283257
EOS-3-30999,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)cn1,GVDAVNKKYLDWBF-UHFFFAOYSA-N,3,1,0.453,27,354,450.384,3.694,5,0.361,0.69,0.98,0.6616236035912549,0.8011359742306902,0.8189894455486258,0.7272976492358303,0.7522616681516003
EOS-3-31000,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)cn5)nc4)n23)cc1,ILQBFRRYPTYCOO-UHFFFAOYSA-N,3,1,0.58,89,805,413.416,3.67,5,0.434,0.76,1.0,0.9170978685491056,0.7588067987115346,0.6140771708587486,0.5347303132067713,0.70617803783154
EOS-3-31001,CCn1nc(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)s1,KIVUENKUYBFOLR-UHFFFAOYSA-N,3,1,0.321,52,423,469.574,4.604,6,0.392,0.77,1.0,0.07921835377972723,0.05993420601740799,0.06487732163662532,0.07968953464464396,0.07092985401960113
EOS-3-31002,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ncn2)nc1,WCPSILCNHVXMOQ-UHFFFAOYSA-N,3,1,0.558,44,481,461.888,4.366,5,0.371,0.72,1.0,0.841734630936879,0.6994037420327599,0.7066170927283942,0.7056318963744774,0.7383468405181277
EOS-3-31003,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4nccnc4-c4ncc(Cl)cn4)n23)no1,WMRSUGHRPZINGV-UHFFFAOYSA-N,3,1,0.244,86,206,459.821,1.537,6,0.373,0.64,0.998,0.0977486121581797,0.1807278459324241,0.0068706737029675825,0.0139983551504352,0.07483637173600165
EOS-3-31004,Fc1nccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)c1F,SJEGHHOOQAFAIC-UHFFFAOYSA-N,3,1,0.452,18,840,431.406,3.543,5,0.38,0.65,1.0,0.7373295181961483,0.660124391748338,0.7142416558152286,0.6947604687821259,0.7016140086354603
EOS-3-31005,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3F)n12,SYNKYQLRVZHGEO-UHFFFAOYSA-N,3,1,0.495,58,28,431.406,3.543,5,0.38,0.65,1.0,0.7814149133027208,0.8284130628469605,0.4886916592419985,0.507658830786101,0.6515446165444452
EOS-3-31006,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)nc2)cc1,NICPWJHVJHRCNH-UHFFFAOYSA-N,3,1,0.325,32,572,452.865,4.619,6,0.381,0.73,1.0,0.20671132890137756,0.35303440477006376,0.5861575628812281,0.6685542457679391,0.4536143855801521
EOS-3-31008,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)c(Cl)c4)n23)cc(-c2noc(C)n2)n1,KIXATFDGXFDPIH-UHFFFAOYSA-N,3,1,0.463,7,463,477.872,2.579,5,0.384,0.72,0.991,0.46937324378041256,0.4055839215955041,0.07551744225892673,0.06178466177780824,0.25306481735316294
EOS-3-31009,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncnc(-c6cccnn6)n5)n34)cc2)nc1,KAHLPLOWOPQNLS-UHFFFAOYSA-N,3,1,0.418,81,120,460.461,3.074,6,0.365,0.62,1.0,0.4966931670207662,0.4102100609965047,0.1501524912617367,0.15815399904050442,0.303802429579878
EOS-3-31010,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)cn4)n23)c(F)c1,VTZBVJAMGVHIQX-UHFFFAOYSA-N,3,1,0.511,90,555,411.372,2.14,4,0.496,0.72,1.0,0.5043005962579672,0.4638047426495785,0.33240524981152764,0.20757658830786102,0.3770217942567336
EOS-3-31011,Cn1ccc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)c3cccn3n2)n1,LKLGVNDPVUAZFF-UHFFFAOYSA-N,3,1,0.483,13,374,442.87,4.285,6,0.405,0.66,0.948,0.5093807826742512,0.7630302926461517,0.5333339044616544,0.5981940922486464,0.600984768007676
EOS-3-31012,Cc1ccc(COc2cncc3nnc(-c4cc(C)nc(-c5ncc(Cl)cn5)c4)n23)nc1,WMCGUXKIVCESJU-UHFFFAOYSA-N,3,1,0.529,7,775,444.886,3.888,5,0.402,0.62,1.0,0.48673840038379823,0.5312949763552876,0.3063703652936742,0.2753409636077034,0.3999361764101158
EOS-3-31013,Fc1cc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncc1-c1cncnn1,HEAFDRYIMXOFEB-UHFFFAOYSA-N,3,1,0.369,85,362,435.373,3.101,5,0.415,0.55,1.0,0.39183400726475226,0.49027654033308204,0.729936262079364,0.6918562812692756,0.5759757727366185
EOS-3-31014,N#Cc1ccc(-c2nnc3cncc(-c4nncc(-c5cccc(F)c5F)n4)n23)cc1,FJZZVMSLCGAZJK-UHFFFAOYSA-N,3,1,0.442,22,316,412.363,3.46,5,0.447,0.76,1.0,0.37607086560208347,0.5980570214515798,0.831908368172161,0.8781783291069838,0.671053646083202
EOS-3-31015,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5noc(COC)n5)s4)n23)cc1,PKQWOZDIKLLEAC-UHFFFAOYSA-N,3,1,0.355,52,357,475.534,3.39,5,0.363,0.71,1.0,0.2177198272907957,0.15235419093962033,0.04958536083887328,0.02380748406551984,0.11086671578370229
EOS-3-31016,Fc1cc(-c2cnncn2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3Cl)n12,UEAWJIWFJRNVGN-UHFFFAOYSA-N,3,1,0.528,37,265,466.839,3.591,5,0.374,0.65,1.0,0.9315160030155575,0.9270612021108903,0.8074497978205744,0.8304005894044274,0.8741068980878623
EOS-3-31017,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)s2)cc1,JTMHJCNFFRCMJT-UHFFFAOYSA-N,3,1,0.385,93,641,424.449,4.027,6,0.417,0.67,1.0,0.137507710232335,0.18916626687684188,0.17552772256870675,0.2339284490439312,0.1840325371804537
EOS-3-31018,COc1cc(-c2nnc3cncc(OCc4scnc4C)n23)ccc1-c1ncc(F)cn1,VPFKRIKUZAYVHZ-UHFFFAOYSA-N,3,1,0.477,16,467,449.471,3.74,5,0.387,0.65,1.0,0.792629017887739,0.7181995750805291,0.28114933863340413,0.1933383592625591,0.4963290727160578
EOS-3-31019,Cc1ccc(OCc2cncc3nnc(-c4ccnc(-c5cnc(C#N)c(C)n5)c4)n23)nc1,FKOPDADXBUTEDK-UHFFFAOYSA-N,3,1,0.34,7,99,435.451,3.106,5,0.409,0.6,1.0,0.36214104585018164,0.2684959906791858,0.23411692138989787,0.1553354807758207,0.2550223596737715
EOS-3-31020,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)n1,XERYCYMAPBYEGR-UHFFFAOYSA-N,3,1,0.523,75,278,435.9,3.98,5,0.372,0.7,1.0,0.6374391748338016,0.6844544582276746,0.35484202590638064,0.394729627852786,0.5178663217051608
EOS-3-31021,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nc(C(F)F)cn5C)ccc4F)n23)nc1,ANJPDJWINLYSMW-UHFFFAOYSA-N,3,1,0.321,74,315,478.438,3.69,5,0.413,0.69,1.0,0.2637413474059352,0.34365362209581246,0.677429579878007,0.5542714687135906,0.4597740045233363
EOS-3-31022,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)no1,QOQZLMHNIBKCGQ-UHFFFAOYSA-N,3,1,0.427,51,48,421.808,2.567,5,0.417,0.67,1.0,0.5168340072647523,0.5732215064080598,0.06488588856144198,0.07969810156946062,0.3086598759509287
EOS-3-31023,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(Cl)c1,DUGBNYCNQQAHNC-UHFFFAOYSA-N,3,1,0.467,36,208,454.281,3.263,5,0.398,0.61,1.0,0.43191008155712424,0.5638492906586252,0.4029967103008704,0.49756699335206633,0.47408076896717155
EOS-3-31024,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-n6cccn6)cn5)n34)cn2)nc1,AEVKDWNCEVVFOW-UHFFFAOYSA-N,3,1,0.413,6,297,448.45,2.803,6,0.378,0.62,1.0,0.32942395997532725,0.24306935782331573,0.1691025289562059,0.14520937564251937,0.22170130559934206
EOS-3-31025,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)n5)n34)ncn2)ncn1,YZHWCTGILYXALF-UHFFFAOYSA-N,3,1,0.37,7,726,466.387,2.735,5,0.381,0.63,0.889,0.5505362894935234,0.5132016311424851,0.5023387704749503,0.2869919813583716,0.46326716811733265
EOS-3-31026,Clc1ccc(-c2nnc3cncc(OCc4cn(-c5cnccn5)cn4)n23)cc1Cl,UHCDSJFHWDYXTQ-UHFFFAOYSA-N,3,1,0.529,73,401,439.266,3.653,5,0.413,0.61,1.0,0.4769978068672469,0.6123466520457816,0.6470426975532863,0.7056404632992941,0.6105069049414023
EOS-3-31027,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)nc5)nc(Cl)n4)n23)cn1,NEDOITNDZMIKNW-UHFFFAOYSA-N,3,1,0.449,51,434,467.28,3.023,5,0.356,0.67,1.0,0.5505448564183401,0.6171698307175656,0.23744945514358165,0.24537386059899938,0.4126345007196217
EOS-3-31028,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)cn2)ccn1,ZBPWHUDDSBYHPU-UHFFFAOYSA-N,3,1,0.321,30,945,447.437,3.906,6,0.375,0.62,0.345,0.2230655883763964,0.3483911315194298,0.45395277911041054,0.5278082379549037,0.38830443424028516
EOS-3-31029,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cnn2)nc1,JRIWABMPBKEASQ-UHFFFAOYSA-N,3,1,0.411,51,65,432.835,2.369,5,0.408,0.58,1.0,0.5400675073675554,0.5685525323829758,0.0777619765608937,0.09421903913371256,0.3201502638612843
EOS-3-31030,Fc1ccc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nn1,POXDGSGYJMEAQG-UHFFFAOYSA-N,3,1,0.573,72,132,447.861,4.057,5,0.387,0.62,1.0,0.8195377287368926,0.8457353848262628,0.6347063258172846,0.6773696114042903,0.7443372626961826
EOS-3-31031,Cc1nc(COc2cncc3nnc(-c4cc(F)cc(-c5ncc(=N)[nH]n5)c4)n23)ccc1F,WIHMOSVKCBSWBW-UHFFFAOYSA-N,3,1,0.54,4,439,447.409,2.616,5,0.423,0.67,1.0,0.4892999109039819,0.43747001576314165,0.49524535672674935,0.4262302104036735,0.4620613734493866
EOS-3-31032,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)nn6)n5)n34)cc2)cc1,RKGYFFTWUPYYQU-UHFFFAOYSA-N,3,1,0.333,3,774,465.908,4.458,6,0.379,0.74,0.965,0.027739702556370364,0.23768932903844836,0.43199575080529096,0.5376602014940717,0.3087712459735453
EOS-3-31033,Fc1cc(OCc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)ccc1Cl,YXGZWKVSRUECFM-UHFFFAOYSA-N,3,1,0.453,57,18,431.858,5.225,5,0.381,0.84,1.0,0.614839627167432,0.7089729970529779,0.9208073469947228,0.9297340826536906,0.7935885134672058
EOS-3-31034,Fc1cnc(-c2csc(COc3cncc4nnc(-c5ccc6c(c5)OCO6)n34)n2)nc1,YUICJVFFWVXUGZ-UHFFFAOYSA-N,3,1,0.687,4,82,449.427,3.152,6,0.4,0.63,1.0,0.7071996436159276,0.7460420807346995,0.25195325885820025,0.2281543417174971,0.4833373312315811
EOS-3-31035,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)cn2)cn1,HUKBLAWCKNAQHQ-UHFFFAOYSA-N,3,1,0.273,70,968,420.44,3.039,6,0.466,0.66,1.0,0.06165615790555822,0.08173702967582756,0.3285844013432938,0.2931858680008224,0.19129086423137548
EOS-3-31036,Fc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)s2)cn1,JZSZXAAIKMMTIU-UHFFFAOYSA-N,3,1,0.366,85,81,440.866,4.832,5,0.4,0.73,1.0,0.41133232814748816,0.6403776300459187,0.8370056884380783,0.8867366869988349,0.6938630834075801
EOS-3-31037,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)ccn2)nc1,QAJKRADORVUEER-UHFFFAOYSA-N,3,1,0.595,24,912,416.391,4.106,5,0.429,0.74,1.0,0.9038191350832705,0.7460506476595161,0.8498475087382633,0.84967617024193,0.837348365430745
EOS-3-31038,Cn1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)[nH]2)nn1,OYDQQUPIRWDOOH-UHFFFAOYSA-N,3,1,0.295,99,286,425.42,1.167,6,0.439,0.59,0.327,0.03491878555273799,0.03770303611815503,0.016131519429785485,0.013552875059968474,0.025576554040161743
EOS-3-31039,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ncn2)c(C)n1,RJZBHGNTBRRVOS-UHFFFAOYSA-N,3,1,0.447,31,395,447.89,3.401,5,0.389,0.63,0.99,0.20394421218559386,0.2786306627373038,0.1562178740319375,0.1631313823589884,0.20048103282845586
EOS-3-31040,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnn2)nc1,NTBOUCDTYQELTM-UHFFFAOYSA-N,3,1,0.495,65,65,429.419,2.502,5,0.401,0.6,1.0,0.7224402028647796,0.694323555616476,0.22669796449866356,0.2165461585909122,0.46500197039270785
EOS-3-31041,Cn1nc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)s5)n34)c2)n1C,HXRFKBAPBIIHTG-UHFFFAOYSA-N,3,1,0.446,31,105,435.473,1.665,5,0.429,0.62,0.965,0.23135837159893086,0.17201528339387293,0.012953190322801728,0.0038722500171338497,0.10504977383318484
EOS-3-31042,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)c(F)c1,HYUTVNCSWJRRNV-UHFFFAOYSA-N,3,1,0.471,7,212,432.394,3.204,5,0.417,0.6,1.0,0.7161435131245288,0.8053851689397574,0.5537831539990405,0.5178277705434857,0.6482849016517032
EOS-3-31043,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)cn1,OEDOUPJZRULJFZ-UHFFFAOYSA-N,3,1,0.483,34,208,451.824,4.154,5,0.371,0.72,1.0,0.7954989377013227,0.8942156123637859,0.8417603317113289,0.8647282571448153,0.8490507847303131
EOS-3-31044,Clc1cc(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)sn1,FHFMEDAGFQCVAS-UHFFFAOYSA-N,3,1,0.488,72,433,421.873,3.937,5,0.424,0.71,1.0,0.5608080323487081,0.6308169419505174,0.38848433966143514,0.4546552669453773,0.5086911452265095
EOS-3-31045,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)c(F)c1,STYKPAJSDUPEIA-UHFFFAOYSA-N,3,1,0.576,88,70,450.424,4.231,5,0.387,0.68,1.0,0.8396528682064286,0.8552361044479474,0.9160698375711055,0.8976081145911864,0.8771417312041669
EOS-3-31046,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)nc2)cc1,CRGABHGZERIACG-UHFFFAOYSA-N,3,1,0.419,41,190,460.501,4.75,6,0.366,0.8,1.0,0.4025512302104037,0.23769789596326502,0.530044205332054,0.44840997875402644,0.40467582756493725
EOS-3-31047,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc[nH]5)nc4)n23)cn1,ZLPKKVOMJMHBMC-UHFFFAOYSA-N,3,1,0.287,70,392,419.452,3.644,6,0.468,0.64,0.798,0.13229045301898432,0.05994277294222466,0.3358405866630114,0.327393598793777,0.21386685285449936
EOS-3-31048,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cc5)c4)n23)n1,SRTJGSSTWPATAZ-UHFFFAOYSA-N,3,1,0.568,4,92,418.457,4.336,5,0.423,0.83,1.0,0.617778082379549,0.6505208690288534,0.48170104859159757,0.4883746830237818,0.5595936707559455
EOS-3-31049,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,RZAPWNAERKSAEO-UHFFFAOYSA-N,3,1,0.59,35,352,446.873,4.662,5,0.353,0.78,1.0,0.9498235213487767,0.9650383798231786,0.857540607223631,0.8727725995476664,0.9112937769858133
EOS-3-31050,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cnccn5)[nH]4)n23)cc1,HZQHPJFSJQRNHN-UHFFFAOYSA-N,3,1,0.343,98,882,422.416,1.829,6,0.45,0.59,1.0,0.07307586868617641,0.03771160304297169,0.05894044273867453,0.06662497429922555,0.059088222191762046
EOS-3-31051,Cc1cccc(COc2cncc3nnc(-c4cc(-c5cnc(C)nc5C)ncn4)n23)n1,PJBFGYUZBXZEAI-UHFFFAOYSA-N,3,1,0.388,31,238,425.456,2.938,5,0.419,0.65,1.0,0.2741330272085532,0.11633027208553218,0.10658111164416421,0.05305496538962374,0.13752484408196836
EOS-3-31052,Cn1nc(-c2nnc3cncc(OCCc4ccnc(C#N)c4F)n23)cc1-c1ccccc1F,RVTODRWBAYYEBT-UHFFFAOYSA-N,3,1,0.5,95,266,458.432,3.358,5,0.384,0.64,0.998,0.5748063874991433,0.4857275032554314,0.6440271400178192,0.6427421012953191,0.5868257830169282
EOS-3-31053,COC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(F)c1,MCBVHUQZDWTGSA-UHFFFAOYSA-N,3,1,0.471,90,555,414.784,2.739,4,0.459,0.69,1.0,0.6374477417586183,0.6359228291412514,0.5057655404016175,0.41031286409430473,0.5473622438489479
EOS-3-31054,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)nn5)n34)cn2)cc1,BECNAGVLCWYHMU-UHFFFAOYSA-N,3,1,0.426,81,363,447.462,3.408,6,0.382,0.66,1.0,0.2690100061681859,0.19362106778150914,0.2552429579878007,0.2604516482763347,0.24458142005345762
EOS-3-31055,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c(F)c2)cn1,MRDUDKZOFVIXOI-UHFFFAOYSA-N,3,1,0.588,13,15,436.397,4.884,5,0.393,0.77,1.0,0.5776677403879104,0.6994123089575766,0.9254249194709068,0.9127373038174217,0.7788105681584538
EOS-3-31056,Cn1cc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)c(-c2cc(F)ccn2)n1,ZROMZWDXKFIQEM-UHFFFAOYSA-N,3,1,0.329,98,42,451.469,3.793,6,0.405,0.6,1.0,0.15688609416763757,0.22787163319854706,0.42813206771297374,0.42940853951065727,0.31057458364745394
EOS-3-31057,FC(F)c1nccc(COc2cncc3nnc(-c4cc(-c5cscn5)cnn4)n23)n1,CIHAEKWOMHVVBS-UHFFFAOYSA-N,3,1,0.402,53,587,439.411,3.011,5,0.393,0.61,0.844,0.39627167431978616,0.3722243163593996,0.26252484408196836,0.21381330957439518,0.3112085360838873
EOS-3-31058,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cn2)n(C)n1,QSZNNNUVOCYKGH-UHFFFAOYSA-N,3,1,0.333,98,882,449.482,2.753,6,0.403,0.55,1.0,0.1028030978000137,0.041378246864505516,0.06096223699540813,0.051744225892673565,0.06422195188815022
EOS-3-31059,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nncn5C)nc4)n23)cn1,FUWLUOUBDBHDPN-UHFFFAOYSA-N,3,1,0.393,99,502,451.454,2.57,6,0.388,0.62,1.0,0.3215595229936262,0.20279624426016038,0.08472688643684463,0.06333527516962512,0.1681044822150641
EOS-3-31060,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)cn1,QWXHABFIXVHQHV-UHFFFAOYSA-N,3,1,0.494,27,69,450.384,3.694,5,0.386,0.64,1.0,0.6859793708450415,0.8246778836268933,0.8016157220204235,0.7002175998903434,0.7531226440956754
EOS-3-31061,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)cn1,YONMQZQOIDCUDP-UHFFFAOYSA-N,3,1,0.337,82,514,409.413,2.065,5,0.478,0.79,1.0,0.17300047974778973,0.07480638749914331,0.1755362894935234,0.12281543417174971,0.13653964772805152
EOS-3-31062,Fc1ccc(F)c(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1,NDMABSXUSDQZTD-UHFFFAOYSA-N,3,1,0.317,64,885,453.412,4.849,6,0.377,0.75,1.0,0.36429134397916524,0.41021862792132135,0.782314440408471,0.8263912685902268,0.5958039202247961
EOS-3-31063,Cc1ncc(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ccc2F)cn1,LVICYJNYHTVFTE-UHFFFAOYSA-N,3,1,0.365,52,647,480.507,3.574,6,0.395,0.72,1.0,0.1129720375573984,0.1720238503186896,0.2696953601535193,0.3057792474813241,0.21511762387773287
EOS-3-31064,Cn1nnc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)cn2)n1,UOTPYPVUWOKSDB-UHFFFAOYSA-N,3,1,0.411,99,502,465.441,1.203,6,0.346,0.67,1.0,0.4529418819820437,0.2530412583099171,0.017776368994585703,0.013561441984785141,0.1843302378178329
EOS-3-31065,Fc1ccc(-c2nc(-c3nnc4cncc(OCCc5ccncc5F)n34)cs2)cn1,GLRPWEPSIMSFMF-UHFFFAOYSA-N,3,1,0.452,18,904,437.435,3.605,5,0.375,0.69,1.0,0.5833990130902611,0.5222997052977864,0.48870022616681513,0.5076673977109177,0.5255165855664451
EOS-3-31066,N=c1ccc(F)c(-c2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)[nH]1,UWZKNYMSFPAECR-UHFFFAOYSA-N,3,1,0.356,96,315,434.385,3.8,5,0.447,0.63,0.208,0.17300904667260641,0.34366218902062917,0.84985607566308,0.812204441093825,0.5446829381125351
EOS-3-31067,Fc1cc(-c2ncnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)nnc1F,ZJPMAWBYOGCXIQ-UHFFFAOYSA-N,3,1,0.452,27,839,469.362,3.228,5,0.346,0.71,1.0,0.9130971146597218,0.8889212528270852,0.680136728120074,0.6685628126927559,0.7876794770749093
EOS-3-31069,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)nc4)n23)n1,CMCMSUCRMLMIFC-UHFFFAOYSA-N,3,1,0.461,4,617,416.47,3.296,5,0.43,0.76,1.0,0.3552104036734974,0.3772359673771503,0.07338427797957645,0.051752792817490234,0.2143958604619286
EOS-3-31070,Fc1cc(-c2ccccc2Cl)cnc1Oc1cncc2nnc(-c3ccccn3)n12,FQAJRPGRQVPYQW-UHFFFAOYSA-N,3,1,0.43,13,616,418.819,4.833,5,0.416,0.83,1.0,0.6737201014323898,0.7502141731204167,0.7948050167911727,0.8384706325817285,0.764302480981427
EOS-3-31071,COc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccccc6F)nc5)n34)cn2)c1,PEWHFXSIKUCKSN-UHFFFAOYSA-N,3,1,0.372,10,195,464.464,4.249,6,0.376,0.72,1.0,0.07494345829620999,0.27863922966212046,0.6287266122952505,0.598202659173463,0.395127989856761
EOS-3-31072,COc1nc(-c2cncc(F)c2)ccc1-c1nnc2cncc(OCc3c(F)cncc3F)n12,XMTQXTPARVCIJD-UHFFFAOYSA-N,3,1,0.455,73,980,465.395,3.648,5,0.375,0.67,1.0,0.8417431978616956,0.7802069769035707,0.7638270166541018,0.70022616681516,0.771500839558632
EOS-3-31073,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5conn5)n4)n23)cc1,WYMITYSBGZPTPK-UHFFFAOYSA-N,3,1,0.343,98,865,422.412,2.699,6,0.421,0.6,1.0,0.08137721883352751,0.04857446371050648,0.14125145637721884,0.14750531149338633,0.10467711260365978
EOS-3-31074,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cc1,KXNCULPPBBKETK-UHFFFAOYSA-N,3,1,0.526,13,724,438.825,4.916,5,0.398,0.71,1.0,0.8195462956617092,0.8130011651017751,0.9114179973956549,0.9037248989102872,0.8619225892673565
EOS-3-31075,CCc1nc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)ccc1-c1ncccn1,MBTIHVTYPHUHJY-UHFFFAOYSA-N,3,1,0.427,31,690,438.495,3.531,5,0.38,0.64,0.999,0.4693818107052293,0.30430573641285724,0.06689054896854225,0.0465184017545062,0.22177412446028374
EOS-3-31076,Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5csc(C)n5)cc4F)n23)cn1,RCQYYVFUYWKSPN-UHFFFAOYSA-N,3,1,0.418,4,412,419.445,4.253,5,0.43,0.78,1.0,0.5694520594887259,0.6259423617298334,0.3959032965526695,0.29929408539510655,0.47264795079158384
EOS-3-31077,N#CCCNC(=O)c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ncn1,BDNGFLKMJVZVTI-UHFFFAOYSA-N,3,1,0.455,63,536,483.492,1.696,5,0.338,0.86,1.0,0.42978548420259066,0.212399766979645,0.03190322801727092,0.023139263929819753,0.1743069357823316
EOS-3-31078,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2Cl)c[nH]1,HJYZFVACCLBEHR-UHFFFAOYSA-N,3,1,0.5,16,89,465.304,3.942,5,0.406,0.75,1.0,0.8396614351312452,0.6746795970118566,0.7663799602494689,0.7947793160167227,0.7688750771023234
EOS-3-31079,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)nc(C)n5)ncn4)n23)nc1,XPKXIXLZFFVCBW-UHFFFAOYSA-N,3,1,0.376,33,53,468.481,1.989,5,0.392,0.59,0.94,0.3294325269001439,0.08844493180727846,0.058949009663491196,0.016285724076485503,0.12327804811184977
EOS-3-31080,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccncn5)c4)n23)nc1,CSHIQCIDXRTQSJ-UHFFFAOYSA-N,3,1,0.406,33,344,482.479,3.254,6,0.375,0.78,1.0,0.4917586183263656,0.19362963470632583,0.30637893221849083,0.33379309163182785,0.33139006922075254
EOS-3-31081,CCCc1ccc(COc2cncc3nnc(-c4cccc(-c5nncn5CC)c4)n23)nn1,OPIXANIIEQZKEI-UHFFFAOYSA-N,3,1,0.447,36,734,441.499,3.391,5,0.36,0.65,1.0,0.23417688986361457,0.1372678363374683,0.039990405044205334,0.031252141731204164,0.11067181824412309
EOS-3-31083,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)nc1C,OTCGQJORZTXYBY-UHFFFAOYSA-N,3,1,0.488,13,110,447.861,4.845,5,0.389,0.72,1.0,0.7193475430059626,0.7930402302789391,0.6231666780892331,0.6251113700226166,0.6901664553491879
EOS-3-31084,COc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,YMAAYRNBLFBVOT-UHFFFAOYSA-N,3,1,0.449,55,565,446.858,3.279,5,0.362,0.66,1.0,0.7101123980535947,0.5980655883763965,0.2885083270509218,0.24538242752381606,0.46051718525118224
EOS-3-31085,COc1nc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,BHWQKNHNFQMXIA-UHFFFAOYSA-N,3,1,0.448,92,602,463.889,2.66,5,0.359,0.65,1.0,0.43888355835789183,0.40559248852032076,0.1290435885134672,0.10031868960318004,0.268459581248715
EOS-3-31086,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)nn1,FYCOOCKVGLUQRM-UHFFFAOYSA-N,3,1,0.287,39,114,433.439,2.501,6,0.412,0.57,0.263,0.04807758207113974,0.014915016105818656,0.039998971969022,0.0517613597423069,0.03868823247207183
EOS-3-31087,Cc1c(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc(-c2cnccn2)c1F,LUVQZNWDSHUXHO-UHFFFAOYSA-N,3,1,0.511,87,490,445.433,3.851,5,0.392,0.62,1.0,0.8688146802823659,0.8011445411555068,0.6801452950448907,0.6457233911315194,0.7489569769035707
EOS-3-31089,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)nn1,IDOCQLTVWQCZIT-UHFFFAOYSA-N,3,1,0.404,53,785,447.409,2.641,5,0.387,0.57,0.999,0.5478548420259064,0.4902851072578987,0.31773867452539234,0.32409533273935986,0.4199934891371393
EOS-3-31090,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)n1,QBOHAKVVYDCXIL-UHFFFAOYSA-N,3,1,0.562,44,531,461.888,4.366,5,0.347,0.73,1.0,0.8011873757795902,0.7967497087245562,0.6231752450140498,0.6598331163045713,0.7202363614556918
EOS-3-31091,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)nc4)n23)nc1,XFZAFOOEZYLUBW-UHFFFAOYSA-N,3,1,0.422,51,196,452.265,3.319,5,0.37,0.63,1.0,0.6552155438283873,0.7136248372284285,0.3028836268932904,0.36924302652319924,0.5102417586183264
EOS-3-31092,Clc1cnc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5cnco5)nn4)n23)nc1,JGFWKRJVDHYTJX-UHFFFAOYSA-N,3,1,0.289,86,249,456.817,2.199,6,0.381,0.59,0.99,0.24237543691316565,0.26331300116510176,0.0232592008772531,0.05587348365430745,0.14620528065245697
EOS-3-31093,O=C(O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5cnc(F)c(F)c5)c4)n23)cc1,XHFKHPNUTGHSOU-UHFFFAOYSA-N,3,1,0.376,96,46,431.362,3.287,5,0.431,0.59,0.368,0.25832705092180114,0.10745493797546432,0.7476954972243164,0.659841683229388,0.4433297923377424
EOS-3-31094,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccnn1C,SSLPFWFMNUSCAP-UHFFFAOYSA-N,3,1,0.411,53,587,449.862,2.618,5,0.385,0.59,1.0,0.33180556507436093,0.33844493180727847,0.15016105818655334,0.11123295181961483,0.23291112672195188
EOS-3-31095,Cc1ncc(-c2cccnc2-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)o1,RYGBSPMGDNFJKN-UHFFFAOYSA-N,3,1,0.284,94,809,447.462,3.593,6,0.39,0.61,1.0,0.05644746761702419,0.05597628675210747,0.24831231581111643,0.22217462819546296,0.14572767459392777
EOS-3-31096,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)c(F)c1,VWXIPJJOIDZPTF-UHFFFAOYSA-N,3,1,0.407,13,110,420.354,4.458,5,0.4,0.78,1.0,0.6799482557741073,0.7588153656363512,0.9335377972722911,0.9332208210540744,0.826380559934206
EOS-3-31097,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1,TVOCDINRICKSCO-UHFFFAOYSA-N,3,1,0.495,81,609,462.477,3.018,6,0.367,0.61,1.0,0.3642999109039819,0.19363820163114248,0.19180487972037558,0.15816256596532108,0.22697638955520524
EOS-3-31098,Cn1nnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cs2)n1,AVBQDOQDNFHUTC-UHFFFAOYSA-N,3,1,0.5,65,779,423.437,2.199,5,0.409,0.63,1.0,0.43191864848194095,0.3436707559454458,0.09405626756219587,0.1112415187444315,0.24522179768350355
EOS-3-31100,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)nn1,GKQWELCWTVHUFV-UHFFFAOYSA-N,3,1,0.333,82,514,410.401,1.508,5,0.465,0.76,1.0,0.11298060448221506,0.03483311630457131,0.05534233431567404,0.03557843876362141,0.05968362346652045
EOS-3-31101,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccc2F)ccn1,HZZZVZIKIMEAOM-UHFFFAOYSA-N,3,1,0.489,34,799,451.824,4.154,5,0.371,0.7,1.0,0.7870262490576383,0.9120947844561716,0.8559814269069974,0.8769018573093003,0.8580010794325268
EOS-3-31102,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4cncn4C)cc3Cl)n12,STCZRIFKOHQVDY-UHFFFAOYSA-N,3,1,0.54,26,460,448.918,3.509,5,0.395,0.65,1.0,0.38973511068466865,0.517664998971969,0.32490919059694334,0.30889760811459116,0.385301727092043
EOS-3-31103,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc5ncC(CC4)NC5=O)n23)cn1,XLKSNWRYTIQZIT-UHFFFAOYSA-N,3,1,0.343,78,792,428.456,1.262,6,0.644,0.6,0.053,0.25310979370845044,0.11057329860873141,0.010220341306284696,0.002638612843533685,0.09413551161675006
EOS-3-31104,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)cn1,KGXSHVQZKYCTIX-UHFFFAOYSA-N,3,1,0.305,10,871,455.873,2.883,6,0.398,0.58,0.805,0.02889623740662052,0.19820437255842643,0.12616510177506682,0.2248732095127133,0.14453473031320677
EOS-3-31105,Cc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)n(C)n4)n23)ccn1,VHHWHFGINSQHSC-UHFFFAOYSA-N,3,1,0.447,95,493,430.447,3.051,5,0.382,0.7,1.0,0.38751627715715165,0.31444040847097526,0.3548505928311973,0.29319443492563907,0.33750042834624083
EOS-3-31106,Cc1ncc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6cnn(C)c6)c5)n34)cn2)n1C,QBYJEXRTOAUGTF-UHFFFAOYSA-N,3,1,0.226,86,780,438.459,1.876,6,0.409,0.56,1.0,0.0060396819957508055,0.009492152696867932,0.04959392776368995,0.029384552121170585,0.023627578644369818
EOS-3-31107,Cn1nccc1-c1cncc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,YJVWNEUXFQWRQF-UHFFFAOYSA-N,3,1,0.455,2,564,436.838,3.353,5,0.417,0.58,1.0,0.5221369337262696,0.522308272222603,0.6990524981152766,0.677378178329107,0.6052189705983141
EOS-3-31108,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(F)c2)n(C)n1,LJFADNLXIMENQU-UHFFFAOYSA-N,3,1,0.494,16,772,449.877,4.267,5,0.398,0.67,1.0,0.6461945719964362,0.6699078198889726,0.7326348433966143,0.7141731204166952,0.6907275889246796
EOS-3-31109,Cc1cnc(-c2nc(C)n(C)c2COc2cncc3nnc(-c4ccc(C)nc4)n23)nc1,RRFSWLSBIBTRFY-UHFFFAOYSA-N,3,1,0.466,7,986,427.472,2.881,5,0.421,0.61,1.0,0.39414707696525253,0.3384534987320951,0.027362757864436982,0.015069220752518675,0.19375813857857585
EOS-3-31110,COc1ncc(-c2cc(F)cc(COc3cncc4nnc(-c5ccn(C)c5)n34)c2)cn1,NEROEHJLSOKMGW-UHFFFAOYSA-N,3,1,0.5,16,879,431.431,3.314,5,0.407,0.62,1.0,0.49176718525118224,0.3144489753957919,0.6378675210746351,0.48838324994859844,0.48311673291755197
EOS-3-31111,Fc1cc(COc2cncc3nnc(-c4cncc(-c5cccnc5F)c4)n23)ccc1Cl,CXPOYNWZVHLZQA-UHFFFAOYSA-N,3,1,0.633,59,884,450.836,4.759,5,0.359,0.79,1.0,0.9291686656157906,0.9252535809745733,0.94984065519841,0.9521451579740936,0.9391020149407169
EOS-3-31112,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)ccn2)nc1,MYJVSFNJANWLDJ-UHFFFAOYSA-N,3,1,0.489,24,912,447.405,2.993,5,0.396,0.66,1.0,0.8064560345418409,0.6403861969707354,0.7906928928791721,0.7141816873415119,0.7379292029333151
EOS-3-31113,Cn1ncc(-c2nnc3cncc(-c4cnn(-c5ccsc5)c4)n23)c1-c1ccc(F)cc1,CGPWOQSAECCDPF-UHFFFAOYSA-N,3,1,0.346,10,151,442.483,4.245,6,0.408,0.64,1.0,0.02427866493043657,0.14468679322870262,0.502347337399767,0.5672589267356589,0.3096429305736413
EOS-3-31114,CCn1nccc1-c1nc(C)ncc1-c1nnc2cncc(-c3cnn(C(F)F)c3)n12,FTVMXZQQNOEGGO-UHFFFAOYSA-N,3,1,0.25,50,974,422.403,3.032,5,0.429,0.66,0.878,0.14545781646220274,0.15236275786443698,0.1986327187992598,0.1608697142073881,0.1643307518333219
EOS-3-31115,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-n4ccnc4)cn3)n12,LEBLWGUQPJXDLT-UHFFFAOYSA-N,3,1,0.541,4,10,421.823,3.744,5,0.43,0.68,1.0,0.5350558563498047,0.7229113837296964,0.792680419436639,0.7991741484476732,0.7124554519909533
EOS-3-31116,OCc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cn2)n1,VAQWIUOBKMZQLG-UHFFFAOYSA-N,3,1,0.416,55,564,464.848,2.902,5,0.403,0.65,1.0,0.7403022411075321,0.7367555342334315,0.5569015146323076,0.5411897745185388,0.6437872661229526
EOS-3-31117,Cc1nc(COc2cncc3nnc(-c4cc(-c5cnc(CO)cn5)ccn4)n23)ccc1F,WEWNFDWVRXJSLY-UHFFFAOYSA-N,3,1,0.432,7,720,444.43,2.557,5,0.421,0.58,0.993,0.504309163182784,0.4593842094441779,0.3695942704406826,0.28122644095675414,0.40362852100609964
EOS-3-31118,Fc1cncc(COc2cncc3nnc(-c4cc(-c5cnn(C(F)F)c5)n[nH]4)n23)c1F,CHYRBWPTUCGBRV-UHFFFAOYSA-N,3,1,0.385,68,564,445.34,3.025,5,0.4,0.63,1.0,0.4252535809745734,0.30936022205469127,0.8545079158385306,0.7969553149201563,0.5965192584469878
EOS-3-31119,Cc1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)s5)n34)cn2)nnn1C,HZLWTUURRULPTN-UHFFFAOYSA-N,3,1,0.291,76,14,452.507,3.476,6,0.4,0.63,0.939,0.03941642108148859,0.07481495442395998,0.05895757658830786,0.06844972928517579,0.06040967034473305
EOS-3-31120,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)nn4)n23)c(-c2ccc(F)cn2)n1,MXNSRFXMDZJPMO-UHFFFAOYSA-N,3,1,0.364,52,821,481.495,3.389,6,0.384,0.77,0.982,0.05991707216777466,0.12695325885820027,0.0032125968062504283,0.016953944212185594,0.051759218011102746
EOS-3-31121,Fc1ccnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)c1,RKXUIGHORXEYAC-UHFFFAOYSA-N,3,1,0.467,18,181,431.406,3.543,5,0.38,0.63,1.0,0.7466246316222329,0.5838102254814612,0.685473922280858,0.6803937358645741,0.6740756288122816
EOS-3-31122,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)s2)ccn1,BXWRFOAIOYOIPU-UHFFFAOYSA-N,3,1,0.324,86,790,434.488,4.434,6,0.405,0.69,1.0,0.08138578575834418,0.16778322253443903,0.42475669933520666,0.43580803234870813,0.2774334349941745
EOS-3-31123,Cn1nccc1-c1ccnc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c1,LQSHULVHWRPXOB-UHFFFAOYSA-N,3,1,0.365,51,924,437.826,2.748,5,0.386,0.61,1.0,0.4135083270509218,0.36756390925913235,0.30638749914330754,0.3210797752038928,0.3521348776643136
EOS-3-31124,COc1ccc(F)c(-c2nnc3cncc(-c4cncnc4-c4ccc(C(F)F)nc4)n23)c1,IQGBLDMVFIQGOB-UHFFFAOYSA-N,3,1,0.333,96,478,449.396,4.396,5,0.393,0.67,0.928,0.46939037763004593,0.6454149818381194,0.9044102528956206,0.8461123295181961,0.7163319854704955
EOS-3-31125,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3csc(-c4ncon4)c3)n12,IJFIIWOQXBBBPT-UHFFFAOYSA-N,3,1,0.495,65,262,443.851,3.712,5,0.391,0.68,1.0,0.5863546021520115,0.4857360701802481,0.33584915358782813,0.42310328284558973,0.4577607771914194
EOS-3-31126,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c(F)c2)n(C)n1,YZDMNTYIGHMOMO-UHFFFAOYSA-N,3,1,0.318,98,369,466.484,3.497,6,0.392,0.65,0.998,0.2289253649509972,0.24307792474813242,0.21611781235007882,0.21069494894112809,0.22470401274758411
EOS-3-31127,N#Cc1ccc(-c2cncc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c2)c(F)c1,JYTSCEVSMWBOOP-UHFFFAOYSA-N,3,1,0.494,2,434,458.844,3.886,5,0.364,0.7,1.0,0.8666558152285656,0.8965972174628195,0.8759851963539168,0.872781166472483,0.8780048488794463
EOS-3-31128,Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cnc(F)cn5)cn4)n23)nc1,OHNGWPIUACTTKE-UHFFFAOYSA-N,3,1,0.448,18,367,428.431,3.107,5,0.406,0.59,0.998,0.6552241107532041,0.6844630251524912,0.33241381673634435,0.27838222191762046,0.487620793639915
EOS-3-31129,Fc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,OPCDQVXLQAZYFP-UHFFFAOYSA-N,3,1,0.333,32,20,446.449,4.511,6,0.368,0.71,1.0,0.30900897813720785,0.4149133027208553,0.5956068809540127,0.6223271194571997,0.48546407031731886
EOS-3-31130,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncnc(C)n5)c(F)c4)n23)sn1,CJYGCIFDADMCCQ-UHFFFAOYSA-N,3,1,0.553,16,610,434.46,3.435,5,0.414,0.65,1.0,0.6260794325269001,0.6123552189705983,0.21278527859639504,0.1766242889452402,0.40696105475978345
EOS-3-31131,FCc1ccc(-c2nnc3cncc(CCc4nncc(-c5cccc(F)n5)c4F)n23)cn1,GKEDNGBDYGKYLE-UHFFFAOYSA-N,3,1,0.368,85,81,448.412,3.571,5,0.367,0.64,1.0,0.41134089507230487,0.5451990953327394,0.4431070522925091,0.5210832019738195,0.4801825611678432
EOS-3-31132,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6C#N)s5)n34)cn2)n1,AILKRMRXHKLPNC-UHFFFAOYSA-N,3,1,0.291,76,968,462.502,3.644,6,0.389,0.67,0.964,0.11011068466863135,0.18481426906997464,0.23042457679391407,0.2310242615310808,0.18909344801590022
EOS-3-31133,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cncc6cccn56)n34)c2)cn1,UMBZNXDPPNUHPB-UHFFFAOYSA-N,3,1,0.365,65,466,450.466,2.616,6,0.377,0.58,0.911,0.4157871290521554,0.24308649167294907,0.1532622849701871,0.14521794256733603,0.2393384620656569
EOS-3-31134,Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5ncc(C)n5C)cc4F)n23)cn1,GHKOJLIIZIMUKZ-UHFFFAOYSA-N,3,1,0.418,87,412,416.42,3.53,5,0.442,0.77,1.0,0.5453704338290727,0.5086697279144679,0.29570454389692274,0.20161400863546022,0.3878396785689809
EOS-3-31135,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)nc1,IIJOOFXASDVBBH-UHFFFAOYSA-N,3,1,0.468,58,795,466.292,3.362,5,0.371,0.62,1.0,0.7285741210335138,0.8318912343225275,0.22309128915084642,0.32740216571859365,0.5277397025563704
EOS-3-31136,O=C(COCc1ccccc1)c1ccc(-c2nnc3cncc(OCc4ccon4)n23)cc1,RZFJJMJNTHLKGM-UHFFFAOYSA-N,3,1,0.63,79,347,441.447,3.758,5,0.319,0.77,1.0,0.5043177301076006,0.3093687889795079,0.519883832499486,0.41355116167500516,0.4367803783153999
EOS-3-31138,Clc1cncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cn5)n34)s2)c1,KCTXTGODFVSTQP-UHFFFAOYSA-N,3,1,0.252,70,813,459.886,3.205,6,0.421,0.64,0.373,0.1237749297512165,0.25791583853060107,0.08960146665752862,0.17134706325817284,0.16065982454937977
EOS-3-31139,Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)ncn4)n23)nn1,NQWRVFPTBLNREQ-UHFFFAOYSA-N,3,1,0.441,44,130,462.876,3.761,5,0.375,0.65,0.991,0.6978445617161264,0.6895089438695086,0.47802583784524705,0.5243129326297032,0.5974230690151463
EOS-3-31140,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)ccc1F,QCXBEBHJGLTGHK-UHFFFAOYSA-N,3,1,0.495,26,125,467.867,4.14,5,0.373,0.69,1.0,0.8512439174833801,0.8168734151189089,0.8417688986361456,0.8405181276129121,0.8376010897128366
EOS-3-31141,Fc1ccc(F)c(-c2nnc3cncc(OCc4cnc(-c5cccc(F)n5)nn4)n23)c1,DSJIHTGYOHSFKY-UHFFFAOYSA-N,3,1,0.472,34,10,436.357,3.035,5,0.387,0.62,1.0,0.6260879994517168,0.754720375573984,0.5633781097937085,0.6339524364334178,0.6445347303132067
EOS-3-31142,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)nc2)n1,HXXXDTNQFJNFKT-UHFFFAOYSA-N,3,1,0.435,65,265,435.398,2.277,5,0.4,0.58,0.417,0.6148481940922487,0.43300664793365773,0.4067747241450209,0.3692515934480159,0.45597028990473576
EOS-3-31144,CCc1cc(-c2cnccn2)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)n1,JSYFKIDOKKLNRP-UHFFFAOYSA-N,3,1,0.371,7,535,445.874,3.228,5,0.388,0.58,1.0,0.40255979713522033,0.46381330957439515,0.1951802480981427,0.19334692618737578,0.31372507024878343
EOS-3-31145,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cccnn3)n12,BPBHKTZGCQGHSZ-UHFFFAOYSA-N,3,1,0.506,72,0,419.445,3.465,5,0.416,0.71,1.0,0.7285826879583305,0.7802155438283873,0.32491775752176,0.3465578096086629,0.5450684497292853
EOS-3-31146,Clc1ccc(-c2noc(-c3cncc4nnc(-c5ncccc5-c5cccnc5)n34)n2)cn1,KYYIVUHHEXFREX-UHFFFAOYSA-N,3,1,0.273,42,72,453.853,4.014,6,0.364,0.71,0.997,0.22597834281406345,0.32442087588239327,0.2552515249126174,0.37253272565279966,0.29454586731546845
EOS-3-31147,N#Cc1cccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)n1,JFAGKGAIZXGEKM-UHFFFAOYSA-N,3,1,0.462,13,110,443.829,4.705,5,0.396,0.71,1.0,0.7897762319237887,0.8521862792132137,0.8846977588924679,0.8906603385648687,0.8543301521485848
EOS-3-31148,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnc5F)n34)cnn2)nc1,FGFGMXYLVYQEDE-UHFFFAOYSA-N,3,1,0.463,65,778,433.382,2.333,5,0.372,0.62,0.984,0.7814234802275375,0.6699163868137893,0.3847662942910013,0.40700603111507094,0.5607780481118497
EOS-3-31149,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,TYWQNCTVRBISBO-UHFFFAOYSA-N,3,1,0.5,58,710,443.442,3.413,5,0.377,0.62,0.999,0.7981889520937564,0.6171783976423822,0.39213384963333564,0.3180556507436091,0.5313892125282708
EOS-3-31150,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c(C)n2)cn1,IGVRQOVHOYPTEQ-UHFFFAOYSA-N,3,1,0.471,13,110,447.861,4.845,5,0.389,0.75,1.0,0.694914673428826,0.7502227400452334,0.6553611815502707,0.6484733739976698,0.6872429922555
EOS-3-31151,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,AFEVWGCMTRVHEH-UHFFFAOYSA-N,3,1,0.333,69,645,417.432,4.57,6,0.415,0.83,1.0,0.16504180659310533,0.1007556027688301,0.5668648481940922,0.607463504900281,0.36003144061407716
EOS-3-31152,c1cnc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)nc1,OZFFCVIJRKSCHI-UHFFFAOYSA-N,3,1,0.295,86,249,421.388,1.076,6,0.402,0.64,0.964,0.0035124391748338015,0.003897950791583853,0.020346446439586045,0.02568364060037009,0.013360119251593448
EOS-3-31153,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncs4)n23)cc1F,DLIZCOZQWNKENI-UHFFFAOYSA-N,3,1,0.585,35,353,421.461,3.409,5,0.418,0.66,1.0,0.787034815982455,0.7588239325611679,0.34316530738126244,0.3274107326434103,0.5541086971420739
EOS-3-31154,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4nc(F)ccc4F)n23)cc1F,BMXSWAYYUNTTMW-UHFFFAOYSA-N,3,1,0.5,37,353,451.412,3.626,5,0.367,0.66,1.0,0.9052241107532041,0.870074018230416,0.7015540401617435,0.6889178260571586,0.7914424988006306
EOS-3-31155,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cnc(F)cn5)n34)c2)cc1,NMKGENYXSBUKPB-UHFFFAOYSA-N,3,1,0.418,4,207,418.367,2.896,5,0.429,0.65,1.0,0.5247755465698033,0.545207662257556,0.5768710163799603,0.6137087930916318,0.5651407545747379
EOS-3-31156,CC#Cc1sc(-n2nnc(-c3cncc4nnc(-c5ccc(C(=O)NC)nc5)n34)n2)cc1F,OXGPEVUUUPLSMV-UHFFFAOYSA-N,3,1,0.309,50,974,460.458,1.761,5,0.402,0.61,0.993,0.06336097594407511,0.207473785210061,0.034593242409704614,0.02381605099033651,0.0823110136385443
EOS-3-31157,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)ccn2)n1,WZPSVPUNOMXZNR-UHFFFAOYSA-N,3,1,0.429,33,760,436.386,2.288,5,0.394,0.6,1.0,0.42526214789939004,0.27864779658693717,0.32492632444657665,0.2870005482831883,0.3289592043040231
EOS-3-31158,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)nc1C,FZXCWBDOZKZPSK-UHFFFAOYSA-N,3,1,0.361,31,662,429.488,2.999,5,0.409,0.64,0.82,0.1454663833870194,0.1134774861215818,0.07110547597834281,0.02939311904598725,0.08986061613323282
EOS-3-31159,Cc1ccnc(COc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)n1,ODTAAAHOMNIHRW-UHFFFAOYSA-N,3,1,0.441,97,666,413.416,3.67,5,0.434,0.77,1.0,0.7072082105407443,0.5887961757247618,0.4745819340689466,0.44516311424850935,0.5539373586457406
EOS-3-31161,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccn6)c5)n34)cc2)nc1,WJDCOKRKXFGMQC-UHFFFAOYSA-N,3,1,0.321,3,150,450.893,4.754,6,0.385,0.72,1.0,0.03492735247755466,0.18482283599479132,0.6498269481187033,0.7086303200603111,0.3945518641628401
EOS-3-31162,Cn1nc(-c2ccccc2F)nc1CCc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,WSPMMNRIOKGHJR-UHFFFAOYSA-N,3,1,0.371,52,647,483.511,2.798,6,0.378,0.79,0.321,0.09533273935987938,0.24309505859776576,0.014726543759851964,0.041352546090055516,0.09862672195188814
EOS-3-31163,Fc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1nc[nH]n1,SWQYFVXUQXODFS-UHFFFAOYSA-N,3,1,0.406,58,954,437.826,2.78,5,0.403,0.62,0.996,0.6675947501884724,0.6454235487629361,0.2519618257830169,0.31806421766842574,0.47076108560071284
EOS-3-31164,Fc1cnc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)s2)cn1,WNVNNCPWCOBQLX-UHFFFAOYSA-N,3,1,0.523,73,10,458.841,3.61,5,0.393,0.68,1.0,0.640420464670002,0.8583201973819478,0.36223528202316496,0.5210917688986362,0.5955169282434377
EOS-3-31165,COc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C)cn5)n34)ncn2)ccn1,NRROXSDVWOILQW-UHFFFAOYSA-N,3,1,0.402,46,238,426.44,2.934,5,0.404,0.6,1.0,0.34616373106709614,0.18483140291960798,0.26600301555753547,0.14034336234665204,0.23433537797272289
EOS-3-31166,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)o1,GNWADNLIMMCBJO-UHFFFAOYSA-N,3,1,0.558,35,429,450.861,4.564,5,0.374,0.72,1.0,0.8396700020560619,0.7802241107532041,0.747704064149133,0.735530463984648,0.7757821602357617
EOS-3-31168,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)cn1,GGZDEJBZGQIODO-UHFFFAOYSA-N,3,1,0.386,80,816,453.426,2.006,6,0.364,0.62,1.0,0.3690288534027825,0.17203241724350626,0.05332054005894044,0.03887670481803852,0.15831462888081693
EOS-3-31169,Cc1nc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)n(C)n1,SQLRXUZSGIRGAE-UHFFFAOYSA-N,3,1,0.471,31,578,431.435,2.446,5,0.377,0.65,1.0,0.46464430128161194,0.2944709067233226,0.12905215543828388,0.11367452539236515,0.2504604722088959
EOS-3-31170,COc1ccccc1-c1nnc2cncc(-c3cccnc3-c3ccc(C(F)F)nc3)n12,SUOBFHYPTXHDAM-UHFFFAOYSA-N,3,1,0.451,96,697,430.418,4.862,5,0.396,0.74,0.966,0.38067987115345076,0.3530429716948804,0.8545164827633472,0.7714344458913028,0.5899184428757452
EOS-3-31171,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)cc1=O,MFKHMGJKVQULIC-UHFFFAOYSA-N,3,1,0.438,55,283,460.885,3.057,5,0.38,0.66,1.0,0.5221455006510863,0.44157357275032555,0.31774724145020905,0.32108834212870946,0.40063866424508254
EOS-3-31172,Cc1noc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)n1,IRWLILRZFBSPEC-UHFFFAOYSA-N,3,1,0.453,7,354,437.37,2.851,5,0.391,0.65,1.0,0.5375145637721883,0.5086782948392845,0.31383215680899185,0.22816290864231376,0.39704698101569463
EOS-3-31173,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccc5CO)cc4C)n23)c(C)c1,NKEDBNNENLJRSP-UHFFFAOYSA-N,3,1,0.281,62,124,464.529,3.989,5,0.408,0.71,0.992,0.22598690973888014,0.08517236652731136,0.6774381468028237,0.5008995271057501,0.3723742375436913
EOS-3-31174,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)cnn5)n4)n23)cn1,NYISBFMTVPJRBO-UHFFFAOYSA-N,3,1,0.277,99,286,441.394,1.159,6,0.391,0.57,0.846,0.020080871770269345,0.15630354328010418,0.030712425467754094,0.04652696867932287,0.06340595229936262
EOS-3-31175,Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)n(C)n4)n23)nc1,BTCXDCXCJJPSMV-UHFFFAOYSA-N,3,1,0.454,95,235,446.902,3.565,5,0.368,0.69,1.0,0.3712476869302995,0.37724453430196697,0.2920293331505723,0.29022171201425534,0.33268581659927354
EOS-3-31176,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cn2)nc1,LSFOWJANJUQUHU-UHFFFAOYSA-N,3,1,0.286,86,812,419.412,2.49,6,0.457,0.62,1.0,0.1514289630594202,0.13727640326228496,0.12906072236310054,0.13359262559111781,0.13783967856898088
EOS-3-31177,CCn1cc(COc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)nc4C)n23)c(F)n1,VWEXSZUOBNLOIT-UHFFFAOYSA-N,3,1,0.417,92,986,449.425,3.025,5,0.389,0.61,1.0,0.3667500514015489,0.4056010554451374,0.22670653142348024,0.182432663970941,0.2953725755602769
EOS-3-31178,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)cc1F,DVSZBHGZIKKPJI-UHFFFAOYSA-N,3,1,0.444,65,658,429.419,2.502,5,0.401,0.59,0.975,0.577676307312727,0.5452162291823727,0.2446028373654993,0.23103282845589748,0.39963205057912415
EOS-3-31179,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)nn2)nc1,NAIFGHRCKSDNEL-UHFFFAOYSA-N,3,1,0.471,54,411,429.419,2.502,5,0.401,0.59,0.808,0.7007230484545267,0.6216417654718662,0.16262593379480503,0.17135563018298952,0.41408659447604684
EOS-3-31180,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)c1,YRFXYACCVRNNON-UHFFFAOYSA-N,3,1,0.552,84,524,447.861,4.057,5,0.387,0.65,1.0,0.7524672743472003,0.82468645055171,0.6378760879994517,0.7029418819820438,0.7294929237201014
EOS-3-31181,Cc1cc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(F)cn5)c4)n23)ccn1,PVHKAAHDNMVXFV-UHFFFAOYSA-N,3,1,0.505,58,778,428.431,3.107,5,0.406,0.63,1.0,0.7553714618600507,0.6797083818792407,0.409970187101638,0.3725412925776163,0.5543978308546365
EOS-3-31182,COc1ccc(-c2ncc(F)cn2)nc1COc1cncc2nnc(-c3ccc(C)cn3)n12,RDSVBICQWDBSAT-UHFFFAOYSA-N,3,1,0.415,46,775,444.43,3.073,5,0.39,0.62,0.868,0.6432218490850524,0.5360581865533548,0.21612637927489547,0.1426735658967857,0.3845199952025221
EOS-3-31183,Cc1nn(C)cc1-c1cnnc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,LONUBQLWXSTCTL-UHFFFAOYSA-N,3,1,0.454,92,185,450.413,2.597,5,0.384,0.64,0.988,0.43889212528270855,0.45939277636899456,0.2519703927078336,0.18244123089575767,0.3331741313138236
EOS-3-31185,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)n5)n34)cn2)cn1,SPORZGBXAGJFLZ-UHFFFAOYSA-N,3,1,0.452,92,860,450.865,3.836,5,0.363,0.71,1.0,0.4412051949832088,0.5313035432801042,0.5167569049414023,0.4913645397847988,0.4951575457473785
EOS-3-31186,COc1nc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(C)cc5)n34)c2)n(C)n1,FQYGARYTGVOUOW-UHFFFAOYSA-N,3,1,0.554,43,250,461.913,4.136,5,0.375,0.73,1.0,0.6432304160098691,0.5838187924062779,0.41719210472208895,0.372549859502433,0.5041977931601673
EOS-3-31187,CC(C)n1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nn1,SKGIWHSMXOJMAS-UHFFFAOYSA-N,3,1,0.3,70,14,461.493,3.545,6,0.379,0.65,0.888,0.08335617846617778,0.06393495990679186,0.09406483448701254,0.08141148653279419,0.08069186484819409
EOS-3-31188,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccsc5)n(C)n4)n23)c1F,RLKHHARUFXTLRQ-UHFFFAOYSA-N,3,1,0.409,95,694,421.461,3.675,5,0.431,0.68,1.0,0.3012216434788568,0.18483996984442463,0.3884929065862518,0.33709135768624493,0.30291146939894453
EOS-3-31189,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1ccccn1,GVIPESYVKCSQJC-UHFFFAOYSA-N,3,1,0.552,11,429,446.873,4.662,5,0.377,0.71,1.0,0.9746419025426633,0.9660064423274621,0.8227760263175931,0.8514409567541635,0.9037163319854705
EOS-3-31190,CCc1cnc(-c2cccc(-c3nnc4cncc(Cc5ccc(F)c(Cl)c5)n34)c2)nc1,PGKQGPYYWCISAW-UHFFFAOYSA-N,3,1,0.411,14,358,444.901,5.194,5,0.373,0.82,1.0,0.45979542183537797,0.5132101980673017,0.8208399013090261,0.832396682886711,0.6565605510246042
EOS-3-31191,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)nc1,GZKWFTNGJSJMLB-UHFFFAOYSA-N,3,1,0.561,84,491,465.851,4.196,5,0.371,0.69,1.0,0.897411075320403,0.8834555547940511,0.77532382975807,0.8144061407717086,0.8426491501610581
EOS-3-31192,Clc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)ccn1,QPFLUMNBGXAEOQ-UHFFFAOYSA-N,3,1,0.287,30,301,451.881,4.149,6,0.371,0.69,1.0,0.0035210060996504694,0.08518093345212803,0.47459050099376326,0.5982112260982798,0.2903759166609554
EOS-3-31193,Cc1ccc(COc2cncc3nnc(-c4cc(-c5cccc(F)c5)ncn4)n23)cn1,QKQNFDXRINSKEV-UHFFFAOYSA-N,3,1,0.534,44,130,413.416,3.67,5,0.434,0.79,0.999,0.6616321705160716,0.5132187649921184,0.6111387156466315,0.5704886573915428,0.589119577136591
EOS-3-31194,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5-c5cnccn5)n34)c(F)c2)n1,AKRQCSKZQLPTJU-UHFFFAOYSA-N,3,1,0.341,42,219,468.431,3.384,6,0.387,0.6,1.0,0.2531183606332671,0.35808889041189773,0.5198923994243027,0.5831334384209444,0.428558272222603
EOS-3-31195,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)nc1,KUZITYVKDWCUBL-UHFFFAOYSA-N,3,1,0.267,99,952,421.388,1.076,6,0.402,0.65,0.844,0.0008738263313001165,0.004703241724350627,0.005534233431567405,0.007324720718250977,0.004609005551367281
EOS-3-31196,Cc1cc(CCOc2cncc3nnc(-c4cc(Cl)cc(-c5cccnn5)c4)n23)ccn1,MHQJFPYSHMWQEI-UHFFFAOYSA-N,3,1,0.551,72,386,443.898,4.227,5,0.388,0.66,1.0,0.7436005071619491,0.7845589747104379,0.6111472825714481,0.6011239805359468,0.6851076862449454
EOS-3-31197,OCc1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C(F)F)c5)cnn4)n23)cn1,XNHNTLJYFXMVEH-UHFFFAOYSA-N,3,1,0.353,50,243,421.371,2.394,5,0.459,0.6,0.921,0.11011925159344801,0.21240833390446165,0.6315793982592008,0.5445908436707559,0.37467445685696665
EOS-3-31198,c1ccc(-c2ncsc2-c2nnc3cncc(-c4cccc(-c5nccnn5)n4)n23)nc1,UZMDIHDTLKSAQB-UHFFFAOYSA-N,3,1,0.301,76,935,436.464,3.224,6,0.41,0.62,1.0,0.051281611952573504,0.067541635254609,0.04960249468850662,0.08142005345761086,0.062461448838324996
EOS-3-31199,Cc1nc(-c2nnc3cncc(OCc4ccc(CO)nn4)n23)ccc1-c1ncnn1C,WBZZHEROZQRWFX-UHFFFAOYSA-N,3,1,0.398,53,587,430.432,1.152,5,0.417,0.62,0.988,0.27965869371530394,0.12332088273593311,0.02737132478925365,0.014520937564251936,0.11121795970118566
EOS-3-31200,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)nc1,RVAMNUSVWVHKIY-UHFFFAOYSA-N,3,1,0.354,68,455,458.379,2.775,5,0.362,0.61,0.994,0.15689466109245426,0.2685045576040025,0.5469553149201563,0.497575560276883,0.367482523473374
EOS-3-31201,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)cc1F,XHFFOPOAEJJZED-UHFFFAOYSA-N,3,1,0.517,73,391,418.367,2.896,5,0.429,0.64,1.0,0.737338085120965,0.8053937358645741,0.5924970872455624,0.6074720718250977,0.6856752450140498
EOS-3-31202,FC(F)c1cnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cn1,OYXIYJRXZSLRAN-UHFFFAOYSA-N,3,1,0.489,27,343,420.383,3.488,5,0.448,0.63,1.0,0.6829552463847577,0.5934822835994791,0.7015626070865603,0.6011325474607635,0.6447831711328902
EOS-3-31203,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nc(C)n2)nc1,BYBYVPKJPFXYOO-UHFFFAOYSA-N,3,1,0.429,31,330,425.456,2.672,5,0.405,0.6,0.992,0.42280344047700635,0.1446953601535193,0.06909224864642588,0.04930265231992324,0.1714734253992187
EOS-3-31204,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)nc1,PRIOOCCUQNBRCU-UHFFFAOYSA-N,3,1,0.415,46,62,436.838,3.353,5,0.39,0.61,1.0,0.667603317113289,0.5313121102049209,0.64983551504352,0.6164502090329655,0.6163002878486739
EOS-3-31205,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)n4)n23)cc1Cl,ZKAOMOZBMQCNET-UHFFFAOYSA-N,3,1,0.535,4,610,436.838,3.353,5,0.39,0.61,1.0,0.5118137893221849,0.6505294359536701,0.5057741073264341,0.5411983414433555,0.5523289185114112
EOS-3-31206,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)nc(Cl)n2)n(C)n1,JSHJKJSPPGHXKZ-UHFFFAOYSA-N,3,1,0.409,46,128,451.853,3.057,5,0.375,0.65,1.0,0.42281200740182306,0.4769549722431636,0.23043314371873072,0.23983962716743198,0.3425099376327873
EOS-3-31207,Clc1ncccc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)ncn3)n12,OMNJFFNNOAEQAE-UHFFFAOYSA-N,3,1,0.43,18,324,431.847,2.708,5,0.374,0.61,0.838,0.664716263450072,0.5685610993077925,0.23412548831471455,0.2783907888424371,0.436448409978754
EOS-3-31208,CC(C)(O)c1ncc(-c2nnc3cncc(Cc4ccc(-c5ccnnc5)cn4)n23)cc1F,UWRFPZWJGCVWLS-UHFFFAOYSA-N,3,1,0.345,85,290,442.458,2.996,5,0.442,0.55,1.0,0.4113494619971215,0.4283890754574738,0.5735813172503598,0.4103214310191214,0.45591032143101917
EOS-3-31209,Cc1nc(COc2cncc3nnc(-c4ccc(-c5nc(C)n(C)n5)c(F)n4)n23)ccc1F,ZVHXFQAYQKNRQV-UHFFFAOYSA-N,3,1,0.421,31,223,449.425,2.851,5,0.377,0.68,0.975,0.38510040435885134,0.3957576588307861,0.15016962511137003,0.12282400109656638,0.26346292234939345
EOS-3-31210,Cn1cc(-c2cc(F)nc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,HOJDLDCGZFAKDF-UHFFFAOYSA-N,3,1,0.471,18,840,416.42,2.742,5,0.393,0.76,1.0,0.44593413748200944,0.28905661023918855,0.45019189911589336,0.3821448152971009,0.3918318655335481
EOS-3-31211,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cncnc1,YGLSPURCZHMHBP-UHFFFAOYSA-N,3,1,0.451,31,569,433.863,2.652,5,0.376,0.65,1.0,0.4113580289219382,0.34839969844424645,0.2588582002604345,0.28431910081557127,0.3257337571105476
EOS-3-31212,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)ccn1,JTZFWDTWRHYYAY-UHFFFAOYSA-N,3,1,0.277,70,957,418.424,3.095,6,0.463,0.63,1.0,0.08572921664039476,0.09750017133849634,0.30289219381810706,0.3180727845932424,0.20104859159756014
EOS-3-31213,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccnnc5)c4)n23)cc1F,YADRVWUYSHBQPQ-UHFFFAOYSA-N,3,1,0.736,59,13,450.836,4.759,5,0.384,0.73,1.0,0.9663491193201289,0.985016448495648,0.9661692138989788,0.9695017476526626,0.9717591323418546
EOS-3-31214,Fc1cc(-c2nnc3cncc(OCc4cncnc4-c4ccccc4F)n23)ccc1Cl,QZHRXMCQPPFJIB-UHFFFAOYSA-N,3,1,0.561,59,13,450.836,4.759,5,0.384,0.73,1.0,0.9746504694674799,0.977923034747447,0.9208159139195394,0.9385237475155918,0.9529782914125144
EOS-3-31215,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccnc(Cl)c5)n4C)n23)nc1,HQWHHFOSYQXVRW-UHFFFAOYSA-N,3,1,0.282,8,754,469.9,3.098,6,0.361,0.69,0.958,0.06705332054005894,0.14843910629840312,0.12073367144129943,0.17958844493180728,0.12895363580289218
EOS-3-31216,Fc1cncc(COc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)cnn4)n23)c1F,YRTKHGZXNNRAGX-UHFFFAOYSA-N,3,1,0.375,46,511,452.812,3.549,5,0.373,0.65,1.0,0.6581968336645878,0.6454321156877527,0.8118017956274416,0.8344613117675279,0.7374730141868275
EOS-3-31217,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnccc5F)n34)cc(Cl)n2)cn1,NUOBMQNCYYPQAR-UHFFFAOYSA-N,3,1,0.452,55,99,448.849,3.718,5,0.375,0.64,1.0,0.7673223219793023,0.732129394832431,0.602100609965047,0.5923685833733123,0.6734802275375231
EOS-3-31218,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccc2F)cn1,SIGKZRGACTVALV-UHFFFAOYSA-N,3,1,0.568,34,623,452.852,4.702,5,0.386,0.72,1.0,0.7673308889041189,0.867058460694949,0.9544153930505106,0.9533102597491604,0.8855287505996848
EOS-3-31219,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)c(F)c1,QVDKYQRWRWGRNT-UHFFFAOYSA-N,3,1,0.489,37,353,467.867,4.14,5,0.373,0.7,1.0,0.8442019052840792,0.8457439517510794,0.732643410321431,0.7562024535672675,0.7946979302309642
EOS-3-31220,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)cc1,BVNPXVJEXATTPY-UHFFFAOYSA-N,3,1,0.465,89,943,482.479,3.254,6,0.351,0.84,1.0,0.5893787266122953,0.29931978616955657,0.2588667671852512,0.2694469193338359,0.35425304982523476
EOS-3-31221,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cccc(-c5nnc6ccccn56)n4)n23)cc1,OTGXRWMYEQNNOO-UHFFFAOYSA-N,3,1,0.289,30,93,468.484,4.02,7,0.381,0.69,0.999,0.11012781851826468,0.09139195394421218,0.2020423548762936,0.30890617503940787,0.1781170755945446
EOS-3-31222,Cn1cc(-c2cnc(F)c(-c3cncc4nnc(-c5nc[nH]c5-c5ncc(F)cn5)n34)c2)cn1,OCILLPLVIDRBDF-UHFFFAOYSA-N,3,1,0.247,86,249,457.408,2.712,6,0.4,0.6,0.999,0.0792269207045439,0.12332944966074978,0.332422383661161,0.3499246110616133,0.221225841272017
EOS-3-31223,CCn1nnc(-c2ncc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)cc2F)n1,KKNUWNATHRHKAM-UHFFFAOYSA-N,3,1,0.314,85,362,438.818,1.428,5,0.396,0.57,1.0,0.1955486258652594,0.2579244054554177,0.007213350695634295,0.01743369200191899,0.11953001850455759
EOS-3-31224,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(Cl)cc5)n4)n23)c1,NHKSDWXIAHXIOS-UHFFFAOYSA-N,3,1,0.31,39,144,469.871,4.289,6,0.379,0.71,0.94,0.03368514837913782,0.19364676855595916,0.45020046604071,0.637019395517785,0.328637944623398
EOS-3-31225,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccc(C(F)(F)F)n5)nc4)n23)nc1,VKDBOZMNPMRTPN-UHFFFAOYSA-N,3,1,0.455,46,348,464.411,3.945,5,0.385,0.65,1.0,0.7926375848125556,0.6308255088753341,0.8155541086971421,0.6164587759577822,0.7138689945857035
EOS-3-31226,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ncccn5)cn4)n23)nc1,WAXQISIFRJHTJJ-UHFFFAOYSA-N,3,1,0.398,33,53,483.467,2.649,6,0.371,0.78,1.0,0.427583784524707,0.22272291138372968,0.10412240422178055,0.12517133849633336,0.21990010965663764
EOS-3-31227,Clc1ccc(-c2cc(COc3cncc4nnc(-c5cnccn5)n34)ncn2)nn1,NKEFXTGRHAOPIB-UHFFFAOYSA-N,3,1,0.383,7,828,418.808,2.061,5,0.418,0.62,0.985,0.4069803303406209,0.45940134329381127,0.1318963744774176,0.1631399492838051,0.2903544993489137
EOS-3-31228,Cc1cc(-c2ccncc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncn4)nc3)n12,UNMWXPMKAZPRIE-UHFFFAOYSA-N,3,1,0.298,32,174,442.486,4.681,6,0.391,0.69,1.0,0.20671989582619424,0.1040024672743472,0.6440357069426359,0.6104876293605648,0.3913114248509355
EOS-3-31229,Cc1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncc(Cl)c5)c4)n23)cn1,SRBROPVSRFGMOW-UHFFFAOYSA-N,3,1,0.365,85,290,413.872,4.196,5,0.439,0.81,1.0,0.30391165787129054,0.35305153861969707,0.6315879651840175,0.6541018436022206,0.48566325131930643
EOS-3-31230,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)s1,RZKMWYITYAPSTR-UHFFFAOYSA-N,3,1,0.613,75,241,416.47,3.03,5,0.416,0.77,1.0,0.506836406003701,0.3384620656569118,0.08961003358234527,0.08142862038242753,0.25408428140634637
EOS-3-31231,CCn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C)nc5F)n34)ccc2F)cn1,AIYWULDOVQHUAI-UHFFFAOYSA-N,3,1,0.442,4,677,448.437,3.63,5,0.366,0.68,1.0,0.3736978274278665,0.4594099102186279,0.4030052772256871,0.3402696867932287,0.39409567541635254
EOS-3-31232,COc1ccc(-n2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,DHONUVPNIKKHNJ-UHFFFAOYSA-N,3,1,0.538,43,417,418.844,4.431,5,0.42,0.81,1.0,0.5608165992735248,0.7182081420053458,0.737595092865465,0.6918648481940922,0.6771211705846069
EOS-3-31233,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5cc(F)cc(F)c5)n4)n23)c1,VWIZNMDWYHJKRF-UHFFFAOYSA-N,3,1,0.3,10,356,472.394,3.308,6,0.384,0.63,0.894,0.02990713453498732,0.20748235213487767,0.495253923651566,0.6568775272428209,0.34738023439106297
EOS-3-31234,Fc1cc(-c2ccnnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,SOWUBWICYNGTLY-UHFFFAOYSA-N,3,1,0.329,69,152,452.478,4.573,6,0.387,0.68,1.0,0.2934343088205058,0.40093208142005343,0.7066256596532109,0.727306216160647,0.5320745665136042
EOS-3-31235,Fc1ncccc1-c1cnnc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,SEAUNKCBUFCVMK-UHFFFAOYSA-N,3,1,0.439,58,207,448.849,3.452,5,0.364,0.65,0.978,0.6737286683572065,0.6844715920773079,0.4817096155164142,0.5542800356384072,0.598547477897334
EOS-3-31236,Fc1cc(-c2nccnc2-c2cncc3nnc(-c4ccccc4-c4cccnc4)n23)ccn1,YWQOTTWBARQDDF-UHFFFAOYSA-N,3,1,0.309,64,365,446.449,4.511,6,0.368,0.72,1.0,0.29344287574532246,0.3436793228702625,0.5989051470084299,0.6568860941676375,0.47322835994791307
EOS-3-31237,COc1ncc(F)cc1COc1cncc2nnc(-c3ccc(-c4cccnn4)nc3OC)n12,CKLMDTCOJIXXSX-UHFFFAOYSA-N,3,1,0.446,49,710,460.429,2.774,5,0.358,0.66,0.968,0.6737372352820231,0.5176735658967857,0.2483208827359331,0.13360119251593447,0.3933332191076691
EOS-3-31238,Cc1cc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)on1,QQBSMGQLXNVHIL-UHFFFAOYSA-N,3,1,0.423,87,207,434.847,3.215,5,0.371,0.68,1.0,0.4091134946199712,0.4240627784250565,0.2092300047974779,0.23692687272976493,0.3198332876430676
EOS-3-31239,Clc1cccc(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)n1,RBHUEXCHLTZWFB-UHFFFAOYSA-N,3,1,0.517,72,31,415.844,3.876,5,0.402,0.77,1.0,0.49670173394558287,0.6171869645671989,0.5735898841751764,0.6104961962853814,0.574493694743335
EOS-3-31240,FC(F)c1ccc(-c2nccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nn1,DEBFINOWTQJVKA-UHFFFAOYSA-N,3,1,0.529,4,32,466.839,4.208,5,0.366,0.69,1.0,0.8464121718867795,0.9521537248989103,0.6774467137276403,0.6833921595504078,0.7898511925159344
EOS-3-31241,Fc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)ccn1,DOMXKJYOIRRXMT-UHFFFAOYSA-N,3,1,0.423,85,290,433.397,4.311,5,0.384,0.68,1.0,0.40912206154478786,0.5501507778767734,0.8965029812898362,0.8647368240696319,0.6801281611952573
EOS-3-31242,Cn1cncc1-c1cnc(-c2nnc3cncc(Cc4cccc(Cl)c4F)n23)cn1,YZNWGUMBNUXFIC-UHFFFAOYSA-N,3,1,0.323,85,674,420.839,3.365,5,0.443,0.63,0.99,0.26901857309300253,0.3093773559043246,0.5892587896648619,0.6598502501542046,0.4568762422040984
EOS-3-31243,Cc1ccc(-c2nnc3cncc(CCc4cc(F)cc(Cc5cccnn5)c4)n23)cc1,OLVWMSSGPXHHAL-UHFFFAOYSA-N,3,1,0.4,14,886,424.483,4.405,5,0.404,0.77,1.0,0.4365790555822082,0.5685696662326092,0.6964224521965595,0.6889263929819752,0.597624391748338
EOS-3-31244,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cncnc5)n34)n2)s1,YVIRVOSQZFBVQS-UHFFFAOYSA-N,3,1,0.245,86,114,451.479,2.927,6,0.394,0.59,0.646,0.0377373038174217,0.052223973682406964,0.026291892262353504,0.034430470838187927,0.037670910150092524
EOS-3-31245,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ncccc5F)c4)n23)n1,MJKWANMJADMELV-UHFFFAOYSA-N,3,1,0.553,24,912,417.379,3.501,5,0.404,0.75,1.0,0.6462031389212528,0.5934908505242958,0.6440442738674526,0.6370279624426016,0.6301915564389007
EOS-3-31246,COCc1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cc4)n23)cn1,WUWTYNOBPBAGJG-UHFFFAOYSA-N,3,1,0.365,96,558,430.418,4.34,5,0.386,0.71,1.0,0.4598039887601946,0.5638578575834419,0.8870450962922349,0.8647453909944486,0.69386308340758
EOS-3-31247,FC(F)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)c4)n23)cn1,BVAQEBAPWQOPEW-UHFFFAOYSA-N,3,1,0.714,90,281,436.249,5.052,4,0.423,0.73,1.0,0.9615259406483448,0.9753700911520801,0.9666318278390789,0.9684565828250291,0.9679961106161332
EOS-3-31248,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5nccnc5Cl)n34)c2)o1,GTKJDBHDVMVBSZ-UHFFFAOYSA-N,3,1,0.472,4,506,420.82,3.172,5,0.422,0.67,1.0,0.5068449729285176,0.5360667534781715,0.1723408265369063,0.19335549311219244,0.3521520115139469
EOS-3-31249,CCn1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)s5)n34)cn2)cn1,NGCHVLCOXRJDQQ-UHFFFAOYSA-N,3,1,0.269,86,272,457.498,4.123,6,0.387,0.67,1.0,0.0038808169419505176,0.024064491810019874,0.2992683846206566,0.3241038996641765,0.16282939825920087
EOS-3-31250,FCc1n[nH]c(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)cn5)n34)cn2)n1,AXOXMRXFZOOMSB-UHFFFAOYSA-N,3,1,0.293,64,72,468.431,3.704,6,0.406,0.64,0.987,0.19555719279007608,0.2735847440202865,0.3249348913713933,0.4135597285998218,0.3019091391953944
EOS-3-31251,CC#Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cc(C)nc(C)n5)n34)ccn2)n1,YJMRPFYGNSQEBI-UHFFFAOYSA-N,3,1,0.427,7,99,449.478,3.001,5,0.373,0.62,1.0,0.31687341511890893,0.232592008772531,0.1818672469330409,0.09831402919607977,0.20741167500514016
EOS-3-31252,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4nnc(-c5cncs5)n4C)n23)c1,KRYKQXRHNXKJRU-UHFFFAOYSA-N,3,1,0.297,8,474,451.519,4.081,6,0.398,0.67,0.997,0.05282365841957371,0.08174559660064423,0.07777054348571037,0.1292063600849839,0.08538653964772805
EOS-3-31253,Cn1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)cn2)n1,CDNBVXVCLQOBHJ-UHFFFAOYSA-N,3,1,0.308,76,272,438.48,3.167,6,0.412,0.6,0.852,0.03369371530395449,0.05598485367692413,0.05896614351312453,0.07410389966417655,0.05568715303954492
EOS-3-31254,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cncc(-c4cccc(CO)n4)c3)n12,BSYKZDIXKQYFIM-UHFFFAOYSA-N,3,1,0.441,87,349,442.483,2.404,5,0.408,0.6,1.0,0.20395277911041051,0.11633883901034885,0.16567575902953877,0.11368309231718182,0.14991261736687
EOS-3-31255,CCCc1cnc(COc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)cn1,JJYKIULFLYVPTG-UHFFFAOYSA-N,3,1,0.415,46,160,441.47,4.314,5,0.372,0.7,1.0,0.522154067575903,0.5360753204029881,0.3736635597285998,0.3917226372421356,0.4559038962374066
EOS-3-31256,Cn1cncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)cn1,BAIOMYINBHYHRY-UHFFFAOYSA-N,3,1,0.342,42,167,449.453,3.85,6,0.377,0.65,1.0,0.23971112329518196,0.3244294428072099,0.5956154478788294,0.5860804605578781,0.4364591186347748
EOS-3-31257,Fc1cc(Cl)ncc1COc1cncc2nnc(-c3ccc(-c4ccnnc4)nc3)n12,YHFWODDAHWPOIW-UHFFFAOYSA-N,3,1,0.466,55,875,434.822,3.41,5,0.387,0.63,1.0,0.8091974504831746,0.7967582756493728,0.7169059694332123,0.7166832293879789,0.7598862312384347
EOS-3-31258,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c(Cl)n1,ZQRVGUVNBYXXBK-UHFFFAOYSA-N,3,1,0.482,75,420,434.822,3.41,5,0.387,0.63,1.0,0.819554862586526,0.75023130697005,0.5300527722568706,0.5445994105955726,0.6611095881022548
EOS-3-31259,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccn4)n23)cc1F,PEPTZSLYVBGGEE-UHFFFAOYSA-N,3,1,0.547,36,258,417.408,2.403,5,0.429,0.68,1.0,0.4506545130559934,0.4594184771434446,0.262533411006785,0.23984819409224864,0.3531136488246179
EOS-3-31260,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nn1C,UXJQGGTUWRCSHE-UHFFFAOYSA-N,3,1,0.471,31,569,449.906,2.904,5,0.367,0.66,1.0,0.28242581043108766,0.15631211020492083,0.15327085189500378,0.14751387841820301,0.1848806627373038
EOS-3-31261,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nncn4C(C)C)n23)cc1F,ZGFYJPKNTHQJKC-UHFFFAOYSA-N,3,1,0.451,63,306,410.413,2.041,4,0.518,0.74,1.0,0.41810019875265575,0.2838136522513878,0.17554485641834008,0.07411246658899322,0.2378927935028442
EOS-3-31263,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(Cc6cscn6)n5)n34)nc2)n1C,ZMMTUNQELOIRBK-UHFFFAOYSA-N,3,1,0.259,99,286,456.499,2.054,6,0.382,0.6,0.053,0.06517716400520869,0.08518950037694469,0.008472688643684462,0.006228154341717497,0.04126687684188884
EOS-3-31264,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)nn5)n4)n23)cc1,XGOIGVDVVPGFCO-UHFFFAOYSA-N,3,1,0.541,4,32,418.367,2.896,5,0.429,0.61,1.0,0.7870433829072716,0.8318998012473443,0.4209101500925228,0.46404461654444523,0.625974487697896
EOS-3-31265,Clc1ccnc(COc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)c1,VZHHMWOVKOUEDM-UHFFFAOYSA-N,3,1,0.554,2,419,416.832,3.271,5,0.43,0.69,1.0,0.43403467891165787,0.5888047426495785,0.5668734151189089,0.592377150298129,0.5455224967445685
EOS-3-31266,O=C(O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cccnn5)ncn4)n23)cc1,XCQDFDFQKRYJCG-UHFFFAOYSA-N,3,1,0.373,14,81,410.397,2.327,5,0.463,0.76,1.0,0.19556575971489273,0.012259269412651635,0.20923857172229457,0.14035192927146872,0.13935388253032693
EOS-3-31267,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)nc1,CJIKYMXEPMJIDW-UHFFFAOYSA-N,3,1,0.43,80,816,465.481,2.45,6,0.364,0.66,1.0,0.15143752998423685,0.15237132478925364,0.09183743403467891,0.05879480501679117,0.11361027345624015
EOS-3-31268,Cn1ccnc1-c1c[nH]c(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,WBCJLGAZDBQGTP-UHFFFAOYSA-N,3,1,0.412,65,265,438.854,3.329,5,0.436,0.62,0.997,0.5142210951956686,0.367572476183949,0.5668819820437255,0.5704972243163594,0.5047931944349257
EOS-3-31270,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nn1,FROPWEBWOROURL-UHFFFAOYSA-N,3,1,0.479,87,142,448.849,3.452,5,0.364,0.64,1.0,0.8248320882735933,0.820685696662326,0.5989137139332465,0.6195171681173326,0.7159871667466247
EOS-3-31271,Clc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)cn2)n1,WCSOLEJTAIIGTA-UHFFFAOYSA-N,3,1,0.306,70,968,465.868,3.211,6,0.357,0.65,0.997,0.21222842848331164,0.2481666780892331,0.310062709889658,0.34656637653347955,0.2792560482489206
EOS-3-31272,Cn1cncc1-c1nnc2cncc(OCc3cncc(-c4cccc(C(F)(F)F)n4)n3)n12,PFSYMBVEUVDNJW-UHFFFAOYSA-N,3,1,0.371,7,828,453.388,2.975,5,0.4,0.59,1.0,0.39835343705023646,0.2890651771640052,0.7015711740113769,0.5076759646357344,0.4741664382153382
EOS-3-31273,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(COC)c(F)c4)n23)cc1,LVZPSXBHFQPCCH-UHFFFAOYSA-N,3,1,0.424,66,334,406.421,2.422,4,0.529,0.88,1.0,0.3576862449455144,0.30938592282914124,0.4281406346377904,0.27534953053252004,0.34264058323624147
EOS-3-31274,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(C)nn6)n5)n34)c(F)c2)nc1,UQZAQJLNEUAJBU-UHFFFAOYSA-N,3,1,0.294,8,765,465.456,3.042,6,0.386,0.6,0.992,0.02205983140291961,0.1982129394832431,0.1412600233020355,0.15006682201357002,0.12789990405044205
EOS-3-31275,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)s1,KIILIAJCCMFNNE-UHFFFAOYSA-N,3,1,0.314,39,176,455.482,3.911,6,0.397,0.64,0.773,0.12948050167911726,0.2431036255225824,0.1818758138578576,0.28700911520800493,0.21036726406689055
EOS-3-31277,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)nc1,BMYKKOHSOHVCHE-UHFFFAOYSA-N,3,1,0.278,70,813,422.412,2.699,6,0.421,0.62,1.0,0.0930368035090124,0.0559934206017408,0.16911109588102255,0.15534404770063737,0.11837134192310328
EOS-3-31278,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5conn5)cc4)n23)cn1,PZHDOLREHWOBBB-UHFFFAOYSA-N,3,1,0.289,98,727,422.412,2.699,6,0.421,0.62,1.0,0.11571345349873209,0.045002056061956,0.16568432595435542,0.17959701185662394,0.12649921184291685
EOS-3-31279,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c(F)c2)n1,PVOCRECPHMTVGL-UHFFFAOYSA-N,3,1,0.5,37,589,451.849,3.959,5,0.382,0.69,1.0,0.7814320471523541,0.7502398738948667,0.4745990679185799,0.5044890686039339,0.6276900143924338
EOS-3-31280,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(Cl)c(Cl)nn5)cn4)n23)cn1,FKLNYFSXLCHTIO-UHFFFAOYSA-N,3,1,0.423,85,290,449.305,4.244,5,0.405,0.61,1.0,0.3241724350627099,0.36758104310876566,0.5537917209238572,0.6251199369474334,0.46766628401069155
EOS-3-31281,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nccc(F)c5F)ccc4F)n23)cn1,VLJVTINXCCDJSB-UHFFFAOYSA-N,3,1,0.469,59,109,448.408,4.553,5,0.393,0.7,1.0,0.8940271400178192,0.9058152285655541,0.9297169488040573,0.9071002672880543,0.9091648961688712
EOS-3-31282,C#Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cncn5CC)cc4F)n23)n1,DOCYSDAVBIBWGP-UHFFFAOYSA-N,3,1,0.434,26,448,440.442,3.164,5,0.374,0.65,1.0,0.5581265848810911,0.5223168391474197,0.45020903296552667,0.3530001370707971,0.47091314851620864
EOS-3-31283,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5c[nH]nn5)n4)n23)cn1,SQCKASFWXQOMQP-UHFFFAOYSA-N,3,1,0.402,99,502,452.442,1.741,6,0.396,0.6,0.999,0.27170858748543625,0.23260057569734768,0.0589747104379412,0.049311219244739905,0.15314877321636627
EOS-3-31284,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccncc5)c(F)c4)n23)cc1)N1CCCCC1,FTRIBBRJAFBBRR-UHFFFAOYSA-N,3,1,0.364,52,376,479.519,4.681,6,0.372,0.87,1.0,0.09073230073332876,0.10076416969364677,0.022171201425536288,0.14522650949215268,0.08972354533616614
EOS-3-31285,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccncc5)n34)cc2F)cn1,NTKWDLRJCBKTKY-UHFFFAOYSA-N,3,1,0.518,97,183,417.379,3.501,5,0.404,0.73,1.0,0.7642724967445685,0.6797169488040573,0.7731135631553697,0.7381262422040984,0.7388073127270235
EOS-3-31286,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cncnn5)n4)n23)cc1,RKBLYEHUJVWUAE-UHFFFAOYSA-N,3,1,0.298,8,927,423.404,1.019,6,0.403,0.6,1.0,0.026600301555753547,0.010503049825234733,0.015411897745185388,0.018590226852169146,0.017776368994585703
EOS-3-31287,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)c1,FHPLGCFOYXZYSI-UHFFFAOYSA-N,3,1,0.417,26,448,432.875,3.697,5,0.377,0.66,1.0,0.4693989445548626,0.46382187649921186,0.32494345829621,0.32109690905352617,0.39481529710095264
EOS-3-31288,Cc1nnc(-c2cnc(F)c(-c3nnc4cncc(OCc5ccnc(C#N)c5)n34)c2)s1,RICAVKKDBIDDMR-UHFFFAOYSA-N,3,1,0.411,92,875,445.443,2.998,5,0.375,0.67,1.0,0.5978856829552464,0.6075834418477143,0.3138407237338085,0.2843276677403879,0.4509093790692893
EOS-3-31289,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)c5)n34)cc2)nc1,IKWGXWCSOZCXIG-UHFFFAOYSA-N,3,1,0.343,69,695,427.471,4.977,6,0.395,0.77,1.0,0.14547495031183608,0.13018298951408402,0.6440528407922692,0.6513861284353368,0.3927742272633815
EOS-3-31290,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnnc(-c5ccnc(F)c5F)c4)n23)cn1,ZSGPOODFEJRJRK-UHFFFAOYSA-N,3,1,0.376,85,290,445.393,2.006,5,0.406,0.52,0.999,0.2717171544102529,0.20280481118497704,0.3622438489479816,0.33709992461106164,0.29346643478856826
EOS-3-31291,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nc(-c5ccc(F)cn5)nn4C)n23)cn1,YVGKQBUOYWMBPO-UHFFFAOYSA-N,3,1,0.256,99,286,454.433,1.978,6,0.392,0.58,0.803,0.11298917140703173,0.15997875402645467,0.025238160509903365,0.038885271742855186,0.08427283942156123
EOS-3-31292,Cc1cc(-c2nnc3cncc(OCc4nnccc4F)n23)cc(-c2ccc(F)nc2)n1,FJUXRWQCXAKXMK-UHFFFAOYSA-N,3,1,0.436,4,43,432.394,3.204,5,0.39,0.64,1.0,0.5863631690768282,0.5732300733328765,0.5502450140497567,0.5178363374683024,0.5569186484819408
EOS-3-31293,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)ncn2)cs1,HOOJGBQOVOFZFW-UHFFFAOYSA-N,3,1,0.413,46,128,420.433,3.126,5,0.427,0.67,1.0,0.4917757521759989,0.49029367418271536,0.2057175656226441,0.1905455417723254,0.34458313343842095
EOS-3-31294,Fc1cncc(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c1F,HLCIXHWXXVCVOO-UHFFFAOYSA-N,3,1,0.534,35,265,436.447,4.21,5,0.397,0.67,1.0,0.7926461517373724,0.7136334041532452,0.7117743814680282,0.6974076485504763,0.7288653964772807
EOS-3-31295,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ncon5)ccc4Cl)n23)c1F,WWEOOSQFCLHWGQ-UHFFFAOYSA-N,3,1,0.562,59,293,440.797,4.352,5,0.401,0.69,1.0,0.9144763895552053,0.9009663491193202,0.9044188198204373,0.9161212391200055,0.9089956994037421
EOS-3-31296,Fc1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cncc(F)c5)cc4F)n23)nc1,IWVSVTLSIPPZSV-UHFFFAOYSA-N,3,1,0.351,45,575,436.372,4.396,5,0.391,0.66,1.0,0.3667586183263656,0.49030224110753207,0.9599067918579947,0.9689877321636625,0.6964888458638887
EOS-3-31297,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5nnccc5F)n34)nc2F)nc1,PFKDNHPTDPECDN-UHFFFAOYSA-N,3,1,0.375,73,775,437.345,2.43,5,0.382,0.61,1.0,0.6148567610170653,0.5934994174491125,0.37757864436981703,0.4166523884586389,0.5006468028236585
EOS-3-31298,Cn1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1-c1cccnn1,DMBFPROUCSFXBK-UHFFFAOYSA-N,3,1,0.424,95,998,420.383,2.839,5,0.431,0.65,0.953,0.4718233842779796,0.410227194846138,0.5367863751627716,0.5509046672606401,0.49243540538688235
EOS-3-31299,FC(F)c1cnc(Cc2cncc3nnc(-c4nccnc4-c4cncnc4)n23)cn1,VGHVBLIBGCZZCQ-UHFFFAOYSA-N,3,1,0.271,7,674,418.371,2.357,5,0.423,0.64,0.974,0.27414159413336986,0.24817524501404975,0.2660115824823521,0.26046021520115137,0.2621971592077308
EOS-3-31300,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)o1,VGNJZEWQNMBLSD-UHFFFAOYSA-N,3,1,0.3,76,601,440.402,2.838,6,0.38,0.61,0.997,0.13751627715715167,0.26332156808991847,0.2127938455212117,0.2636813789322185,0.21932826742512507
EOS-3-31301,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)ccn2)nc1,GRELYJVMGPFAFV-UHFFFAOYSA-N,3,1,0.536,73,775,452.812,3.549,5,0.399,0.61,1.0,0.7642810636693852,0.767639298197519,0.6664039476389555,0.6947690357069426,0.7232733363032006
EOS-3-31302,Cc1ccc(-c2nnc3cncc(OCc4cc(C(F)F)nc(C#N)n4)n23)c(Cl)n1,YOINLUUUXIHBBW-UHFFFAOYSA-N,3,1,0.462,68,127,428.79,3.326,4,0.444,0.59,0.971,0.7373466520457816,0.8246950174765266,0.6525854979096704,0.5705057912411761,0.6962832396682886
EOS-3-31303,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5c[nH]cn5)nc4)n23)nc1,QSZHBTYHHNHDMF-UHFFFAOYSA-N,3,1,0.27,94,892,418.424,3.095,6,0.463,0.65,0.973,0.08812795558906175,0.10077273661846343,0.2304417106435474,0.25754746076348434,0.16922246590363924
EOS-3-31304,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,RVSGBCZOTQPZSV-UHFFFAOYSA-N,3,1,0.543,24,912,432.846,4.62,5,0.403,0.69,1.0,0.8752912754437667,0.831908368172161,0.8605904324583648,0.869662805839216,0.8593632204783772
EOS-3-31305,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)ncc1Cl,NZMXEVZRRGJQGK-UHFFFAOYSA-N,3,1,0.471,97,560,432.846,4.62,5,0.403,0.69,1.0,0.6344750188472346,0.6699249537386059,0.8227845932424097,0.8582002604345145,0.7463462065656912
EOS-3-31306,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)cn1,IVUIDPPNAHXHAX-UHFFFAOYSA-N,3,1,0.395,50,243,420.358,3.782,5,0.408,0.69,0.552,0.30901754506202456,0.4903108080323487,0.8530344047700638,0.8122130080186416,0.6161439414707697
EOS-3-31307,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c(F)c1,UGQJADSWJIZSKQ-UHFFFAOYSA-N,3,1,0.5,4,554,440.891,4.625,5,0.398,0.71,1.0,0.7344681653073812,0.7502484408196833,0.7867178397642383,0.7877201699677884,0.7647886539647728
EOS-3-31308,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cnnn5C)c4)n23)n(C)n1,RBOBPTPJJDCGNJ-UHFFFAOYSA-N,3,1,0.488,36,662,419.424,2.347,5,0.431,0.65,0.999,0.402568364060037,0.5176821328216024,0.23045027756836406,0.1877527242820917,0.3346133746830238
EOS-3-31309,COc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,UNPHNFNNYBKXAK-UHFFFAOYSA-N,3,1,0.477,24,786,451.899,3.946,5,0.382,0.72,0.999,0.6432389829346857,0.6601329586731547,0.36960283736549926,0.3211054759783428,0.49852006373792057
EOS-3-31310,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nnc2Cl)nn1,UIIXAHCDPOMRRL-UHFFFAOYSA-N,3,1,0.388,31,466,435.839,1.442,5,0.385,0.62,0.998,0.3806884380782674,0.3957662257556028,0.030720992392570763,0.049319786169556575,0.21412386059899938
EOS-3-31311,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1-c1cncnn1,WKFDPUPUHXGEEP-UHFFFAOYSA-N,3,1,0.521,87,69,465.399,3.132,5,0.357,0.68,0.312,0.82484065519841,0.8700825851552326,0.5735984510999932,0.514598039887602,0.6957799328353094
EOS-3-31312,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)cnc1Cl,PHEWJBSINZNEOP-UHFFFAOYSA-N,3,1,0.422,46,959,434.822,3.41,5,0.387,0.62,1.0,0.7436090740867658,0.6699335206634227,0.7066342265780275,0.7056490302241107,0.7064564628880816
EOS-3-31313,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cc(Oc5ccccc5)ncn4)n23)nn1,LKIMBGWECPOSQG-UHFFFAOYSA-N,3,1,0.406,27,52,466.383,3.761,5,0.369,0.69,1.0,0.5193012816119525,0.49522822287711604,0.7885511616750052,0.6223356863820163,0.6063540881365225
EOS-3-31314,Clc1ccccc1-n1nnc(-c2cncc3nnc(-c4cnc(-c5cncnc5)cn4)n23)n1,ATKQCWXYYWYHJQ-UHFFFAOYSA-N,3,1,0.276,86,952,454.845,2.334,6,0.39,0.57,0.992,0.016311424850935508,0.13360975944075115,0.0755260091837434,0.17390857377835653,0.09983894181344666
EOS-3-31315,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)c1,LCDGNWQZXFQHQB-UHFFFAOYSA-N,3,1,0.44,46,211,420.383,2.839,5,0.431,0.62,1.0,0.4181087656774724,0.31969193338359264,0.6315965321088343,0.5736241518744432,0.48575534576108564
EOS-3-31316,Clc1ccc(-c2nnc3cncc(OCc4ncnnc4-c4ccccc4)n23)cc1,RORXBWWEBKOQLL-UHFFFAOYSA-N,3,1,0.556,43,372,415.844,3.876,5,0.43,0.77,1.0,0.8849376327873346,0.9377869919813584,0.4641816873415119,0.5953156055102461,0.7205554794051128
EOS-3-31317,Fc1cnc(-c2cc(-c3cncc4nnc(-c5nc(-c6cncnc6)ccc5F)n34)ncn2)cn1,UFVTUZYSYYMNKE-UHFFFAOYSA-N,3,1,0.276,94,566,467.403,2.836,6,0.381,0.64,0.999,0.23971969021999862,0.33847063258172844,0.354859159756014,0.38857857583441846,0.3304070145980399
EOS-3-31318,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)nc2)cn1,PTUFKJBGXMQXSY-UHFFFAOYSA-N,3,1,0.361,51,48,470.35,2.565,5,0.353,0.68,0.997,0.5776848742375437,0.640394763895552,0.6881382358988417,0.534738880131588,0.6102391885408813
EOS-3-31319,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cnccn5)s4)n23)cc1,MEERVIVCRRMTLW-UHFFFAOYSA-N,3,1,0.324,98,42,438.48,3.167,6,0.412,0.59,1.0,0.04231204166952231,0.07482352134877664,0.10658967856898088,0.12283256802138305,0.08663945240216572
EOS-3-31320,Fc1cc(-c2nnc3cncc(OCc4csc(-c5ccncc5)n4)n23)ccc1Cl,IWFFFJFCIJVADA-UHFFFAOYSA-N,3,1,0.568,59,436,438.875,4.681,5,0.396,0.8,1.0,0.7224487697895964,0.8862997738331848,0.7222174628195462,0.7614111438558016,0.7730942875745324
EOS-3-31321,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ncn2)nc1,SAZDROCDJHETQN-UHFFFAOYSA-N,3,1,0.466,18,481,414.404,2.799,5,0.418,0.74,1.0,0.6829638133095743,0.5132273319169351,0.38850147351106845,0.38215338222191764,0.4917115002398739
EOS-3-31322,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)c(F)cn1,FAVRVDNJWWGLJC-UHFFFAOYSA-N,3,1,0.467,47,164,424.346,2.968,5,0.432,0.6,1.0,0.862363785895415,0.8011531080803235,0.8136608183126585,0.7901874443149887,0.8168412891508464
EOS-3-31323,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)nc1,ZVZLQXXYDLUPKL-UHFFFAOYSA-N,3,1,0.281,86,114,433.439,2.501,6,0.412,0.56,0.807,0.018119045987252416,0.024073058734836544,0.07339284490439311,0.09232574874922898,0.05197767459392777
EOS-3-31324,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,KQCIQSRICYBVLL-UHFFFAOYSA-N,3,1,0.506,4,31,417.86,3.819,5,0.404,0.75,1.0,0.4867469673086149,0.4681224727571791,0.592505654170379,0.5831420053457611,0.5326292748954835
EOS-3-31325,Cc1n[nH]c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n(C)n2)n1,SRJZQSPSWJPIKD-UHFFFAOYSA-N,3,1,0.364,31,105,422.84,2.246,5,0.457,0.61,1.0,0.3343328078952779,0.4102357617709547,0.06294976355287506,0.07789904735796038,0.22135434514426702
EOS-3-31326,Cc1nn(C)cc1-c1cc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccn1,SFOZFOXNKMAMFC-UHFFFAOYSA-N,3,1,0.65,89,996,463.448,4.076,5,0.359,0.74,1.0,0.5923086148995956,0.6259509286546501,0.784584675484888,0.6598588170790213,0.6656757590295388
EOS-3-31327,COc1cc(-c2nnc3cncc(OCc4cc(Cl)n(C)n4)n23)ccc1-c1ccccc1,CMUMVQUXYYMHFB-UHFFFAOYSA-N,3,1,0.494,1,955,446.898,4.433,5,0.384,0.73,1.0,0.48421115756288124,0.5786186690425604,0.6231838119388664,0.5831505722705778,0.5672910527037215
EOS-3-31328,CCOc1cc(Oc2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)ncn1,MCUKUWMVSGJRBF-UHFFFAOYSA-N,3,1,0.333,82,243,462.42,4.167,5,0.352,0.74,0.626,0.6260965663765334,0.6216503323966829,0.6498440819683367,0.4578421629771777,0.5888582859296827
EOS-3-31329,Cc1ncc(Cc2cncc3nnc(-c4cnc(-c5ccc(Cl)nn5)cn4)n23)cn1,YPIDCDAKCNALFC-UHFFFAOYSA-N,3,1,0.286,85,976,416.836,2.381,5,0.434,0.62,0.913,0.2313669385237475,0.18917483380165856,0.10413097114659722,0.1356401206223014,0.1650782160235762
EOS-3-31330,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ncccc5Cl)n34)c2)ns1,HILXMPXNWPIHFS-UHFFFAOYSA-N,3,1,0.561,4,921,435.9,4.246,5,0.407,0.71,1.0,0.44594270440682615,0.517690699746419,0.27354190939620315,0.3338016585566445,0.3927442430265232
EOS-3-31331,Cn1cc(-c2nccnc2-c2nnc3cncc(-c4ncnc(-c5ccsc5)n4)n23)cn1,BZRARDCDLMQBKI-UHFFFAOYSA-N,3,1,0.238,86,953,439.468,2.562,6,0.407,0.57,0.787,0.032494345829621,0.014923583030635323,0.029658693715303955,0.03443903776300459,0.027878915084641215
EOS-3-31332,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)c2)nc1,FPQCDHJCCSHDQA-UHFFFAOYSA-N,3,1,0.484,2,491,466.839,3.591,5,0.35,0.72,1.0,0.8553988760194641,0.8491707216777465,0.5892673565896785,0.62512850387225,0.7297413645397848
EOS-3-31333,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cc(F)n1,WDIFXRGVMNCGRK-UHFFFAOYSA-N,3,1,0.612,16,97,419.395,3.444,5,0.406,0.67,1.0,0.9213384963333562,0.7547289424988006,0.7567250359810842,0.7194846138030293,0.7880692721540676
EOS-3-31334,C#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)cn1,ATWMLGOJYOAXRE-UHFFFAOYSA-N,3,1,0.483,16,353,443.417,3.425,5,0.387,0.62,1.0,0.8442104722088959,0.7229199506545131,0.8096257967240079,0.7406877527242821,0.7793609930779248
EOS-3-31335,Fc1ccc(-c2nnc3cncc(OCc4cnccn4)n23)cc1-c1ncccc1F,JCYNKPQRMRKCHE-UHFFFAOYSA-N,3,1,0.524,73,401,417.379,3.501,5,0.432,0.68,1.0,0.7403108080323487,0.7502570077445,0.7247190048660133,0.7220118566239463,0.734324669316702
EOS-3-31336,Fc1cncc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccn5)ccn4)n23)c1,LOEHEPFNHDCVCR-UHFFFAOYSA-N,3,1,0.535,2,71,417.379,3.501,5,0.432,0.68,1.0,0.589387293537112,0.5786272359673772,0.7428380508532657,0.7406963196490988,0.6628872250017134
EOS-3-31337,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ncn1,DUHHROBEQNQPLE-UHFFFAOYSA-N,3,1,0.409,46,488,438.373,2.978,5,0.389,0.61,0.626,0.6065382770200809,0.46813103968199576,0.7972294565142897,0.7485521897059831,0.6551127407305873
EOS-3-31338,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)c(Cl)c1,HWADPHDMFDKWIO-UHFFFAOYSA-N,3,1,0.553,57,198,445.885,5.267,5,0.356,0.85,1.0,0.8576005756973477,0.8614385580152149,0.8870536632170516,0.9161298060448222,0.8805556507436091
EOS-3-31339,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)nn3)n12,RHBHHSJHFFGKOA-UHFFFAOYSA-N,3,1,0.441,54,411,448.849,3.452,5,0.364,0.63,1.0,0.8576091426221644,0.8388304434240285,0.5469638818449729,0.6105047632101981,0.7134770577753409
EOS-3-31340,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)nc5)n34)cc2)nc1,AMUJCCNELZKANK-UHFFFAOYSA-N,3,1,0.333,38,725,453.466,3.968,6,0.395,0.65,1.0,0.17301761359742307,0.2579329723802344,0.4099787540264547,0.43864368446302515,0.3198932561167843
EOS-3-31341,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)n2)cc1,GODKCKNCLPMTCY-UHFFFAOYSA-N,3,1,0.364,3,289,439.479,4.907,6,0.39,0.72,1.0,0.03641799739565486,0.20749091905969433,0.6440614077170859,0.7273147830854636,0.40382127681447466
EOS-3-31342,Cc1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1cnnn1C,NZIAHTBVFPCOJT-UHFFFAOYSA-N,3,1,0.427,31,773,431.435,2.446,5,0.403,0.6,0.956,0.4228205743266397,0.3772531012267836,0.20924713864711122,0.19055410869714207,0.29996873072441915
EOS-3-31343,Cc1cnc(COc2cncc3nnc(-c4cc(C)nc(-c5nc(C)cs5)c4)n23)cn1,WLDASBAEKBGNCG-UHFFFAOYSA-N,3,1,0.476,7,661,430.497,3.604,5,0.417,0.69,1.0,0.3215680899184429,0.2278802001233637,0.0820454389692276,0.041361113014872185,0.1682137105064766
EOS-3-31344,COc1ncc(-c2nnc3cncc(COc4ccc(F)cn4)n23)cc1-c1cncc(C)c1,HVCASUBKLHFMQQ-UHFFFAOYSA-N,3,1,0.349,2,767,443.442,3.678,5,0.392,0.64,1.0,0.5608251661983414,0.5452247961071893,0.5333424713864711,0.38515180590775133,0.5061360598999383
EOS-3-31345,COc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)s1,PKVNQEQTTUVACS-UHFFFAOYSA-N,3,1,0.5,65,142,432.469,2.73,5,0.383,0.66,1.0,0.4297940511274073,0.26851312452881915,0.07977520389281063,0.05588205057912412,0.2084911075320403
EOS-3-31347,FC(F)c1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nc1,SSJPZXBGSWBRAF-UHFFFAOYSA-N,3,1,0.561,27,343,466.839,4.208,5,0.366,0.71,1.0,0.8865910492769515,0.9533530943732438,0.7452196559522993,0.7562110204920841,0.8353437050236446
EOS-3-31348,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5C(F)(F)F)n34)c(F)c2)n1,FBGCJRYXEKCEJB-UHFFFAOYSA-N,3,1,0.355,61,542,441.352,3.202,5,0.397,0.59,1.0,0.23418545678843122,0.42839764238229044,0.8208484682338428,0.7328147488177644,0.5540615790555823
EOS-3-31349,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncc(F)c5)cnn4)n23)cn1,BRFLARXFAVDZRP-UHFFFAOYSA-N,3,1,0.5,2,534,414.404,3.065,5,0.432,0.74,1.0,0.5952385031868961,0.6505380028784867,0.5023559043245837,0.4578507299019944,0.5514957850729902
EOS-3-31350,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccnn5C)n4)n23)c(F)c1,SJTLPXXBFUUCCX-UHFFFAOYSA-N,3,1,0.472,16,446,416.42,3.008,5,0.435,0.71,1.0,0.547863408950723,0.5786358028921939,0.3249520252210267,0.28123500788157085,0.4331715612363786
EOS-3-31351,Cn1cnc(-c2cnc(Cl)c(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c2)n1,YESDZHJDBBSRIP-UHFFFAOYSA-N,3,1,0.38,33,760,462.861,1.708,5,0.371,0.62,0.985,0.4275923514495237,0.40094064834487014,0.10930539373586458,0.08482968953464465,0.2556670207662257
EOS-3-31352,Clc1cccc(OCc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)c1,MJMHMJMVONJAGX-UHFFFAOYSA-N,3,1,0.423,14,18,414.856,4.481,5,0.422,0.83,1.0,0.4435011308340758,0.5732386402576931,0.8096343636488246,0.8384791995065451,0.6662133335617847
EOS-3-31353,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)cn1,PQSQOKDJFSLWCI-UHFFFAOYSA-N,3,1,0.571,75,329,416.42,2.742,5,0.42,0.71,1.0,0.537523130697005,0.4374785826879583,0.48521348776643136,0.41666095538345554,0.46921903913371255
EOS-3-31354,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncn[nH]5)c(F)c4)n23)nn1,RCAJDNWUEPHPEN-UHFFFAOYSA-N,3,1,0.511,37,482,417.408,2.435,5,0.447,0.66,1.0,0.7403193749571654,0.7136419710780618,0.24832944966074977,0.23985676101706532,0.48553688917826054
EOS-3-31355,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ccc(C)cn1,XIWJNDBVDIHSKA-UHFFFAOYSA-N,3,1,0.518,97,591,430.493,4.206,5,0.399,0.71,1.0,0.47446199712151327,0.28907374408882186,0.4396717154410253,0.29930265231992326,0.3756275272428209
EOS-3-31356,COc1ccc(F)c(F)c1COc1cncc2nnc(-c3ccc(-c4cncc(F)c4)cn3)n12,SWBGPOOJZMXCBK-UHFFFAOYSA-N,3,1,0.427,59,89,464.407,4.253,5,0.371,0.74,1.0,0.8688232472071825,0.7760091837434034,0.9160784044959221,0.8755054485641834,0.8591040710026729
EOS-3-31357,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5nnc(C)s5)ncc4F)n23)nc1,ZLZKBCYLBHENQZ-UHFFFAOYSA-N,3,1,0.385,7,62,435.448,2.83,5,0.411,0.57,0.972,0.5323487081077376,0.4504489068603934,0.060970803920224796,0.06179322870262491,0.27639041189774516
EOS-3-31358,OCc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)c2)cn1,FTCILMLGOFPDNX-UHFFFAOYSA-N,3,1,0.446,2,419,447.405,2.993,5,0.396,0.65,1.0,0.6889606606812418,0.6216588993214995,0.8173445959838257,0.7510622986772668,0.7197566136659586
EOS-3-31359,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4Cl)n23)cn1,MHQUOEGSYNASEE-UHFFFAOYSA-N,3,1,0.323,32,693,465.908,4.364,6,0.381,0.73,1.0,0.1873500788157083,0.2431121924473991,0.4608234528133781,0.5509132341854568,0.3605497395654856
EOS-3-31360,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cn(C)nn6)cn5)n34)cc2)nn1,ZDDBRZNATQOIJA-UHFFFAOYSA-N,3,1,0.452,56,197,466.469,1.751,6,0.356,0.63,1.0,0.34617229799191285,0.2838222191762045,0.07340141182920978,0.049328353094373244,0.1881810705229251
EOS-3-31361,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)cn4)n23)ccc1Cl,MJGDSVVEZWNFQZ-UHFFFAOYSA-N,3,1,0.519,51,969,434.912,4.851,5,0.393,0.78,1.0,0.7436176410115825,0.8284216297717771,0.6347148927421012,0.6513946953601535,0.7145372147214035
EOS-3-31362,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)s1,MDQYLRCONZDSFS-UHFFFAOYSA-N,3,1,0.347,80,855,468.506,3.079,6,0.363,0.68,1.0,0.25312692755808375,0.11058186553354808,0.10413953807141388,0.08305633609759441,0.13772616681516003
EOS-3-31363,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6F)nn5)n34)nc2)nc1,XPYFWLJXFCYWJT-UHFFFAOYSA-N,3,1,0.28,10,37,454.404,3.169,6,0.374,0.61,1.0,0.008755397162634501,0.12333801658556645,0.44311561921732573,0.5044976355287506,0.2699266671235693
EOS-3-31364,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)nc5)n34)cn2)cc1,SNIWDDPQYBDFJX-UHFFFAOYSA-N,3,1,0.348,30,20,417.432,4.57,6,0.415,0.81,0.999,0.1428877390172024,0.10746350490028099,0.5736070180248098,0.5800407785621273,0.3509997601261051
EOS-3-31366,Cc1cnc(-c2cccc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)nc1,VADVQAUXPWBIDL-UHFFFAOYSA-N,3,1,0.447,14,18,412.428,4.275,5,0.429,0.88,1.0,0.5478719758755397,0.5935079843739292,0.6637824686450552,0.6398721814817353,0.6112586525940649
EOS-3-31367,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)c1,CWPSCXOOGWJKBR-UHFFFAOYSA-N,3,1,0.381,31,643,431.435,2.62,5,0.362,0.66,0.784,0.35769481187033103,0.21725721335069564,0.18188438078267424,0.16591563292440545,0.2306880097320266
EOS-3-31368,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(Cl)cn5)nc4)n23)nc1,PUCYVBLGRMPQIU-UHFFFAOYSA-N,3,1,0.368,46,775,416.832,3.792,5,0.435,0.68,1.0,0.6552326776780207,0.6216674662463162,0.3177558083750257,0.32741929956822696,0.48051881296689736
EOS-3-31369,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(Cl)n5)n4)n23)cn1,YPAHCHYPQNRZLG-UHFFFAOYSA-N,3,1,0.478,7,85,431.847,2.974,5,0.387,0.64,1.0,0.6091169213898979,0.6895175107943252,0.18189294770749093,0.16865704886573915,0.41229610718936327
EOS-3-31370,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,IRXKGCTVEBWBPT-UHFFFAOYSA-N,3,1,0.489,4,208,418.848,3.214,5,0.432,0.66,1.0,0.4459512713316428,0.4415821396751422,0.42091871701733946,0.4231118497704064,0.43289099444863266
EOS-3-31371,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6Cl)n5)n34)cc2)nn1,GICUZENPEMSHRK-UHFFFAOYSA-N,3,1,0.302,3,270,465.908,4.458,6,0.379,0.71,1.0,0.05129017887739017,0.2685216914536358,0.4172006716469056,0.5045062024535673,0.3103796861078747
EOS-3-31372,Fc1ccc(-c2noc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)n2)cc1Cl,GKEIRBBCLSYLRN-UHFFFAOYSA-N,3,1,0.378,45,102,445.216,5.093,5,0.385,0.8,1.0,0.4025769309848537,0.655506819272154,0.9141080117880885,0.9644815297100953,0.7341683229387979
EOS-3-31373,Cc1ccnc(-n2cc(-c3cncc4nnc(-c5ccc(C(O)(F)C6CC6)cc5F)n34)nn2)n1,LEHXRMDNKTYKBO-UHFFFAOYSA-N,3,1,0.295,50,974,461.436,2.801,6,0.424,0.64,0.98,0.039424988006305256,0.28908231101363857,0.5300613391816873,0.5736327187992598,0.3580503392502227
EOS-3-31374,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)nc(F)c5)n34)cc2)n1,MDKJGKBAKZWBTH-UHFFFAOYSA-N,3,1,0.544,72,55,420.383,2.839,5,0.404,0.66,1.0,0.7612569392091015,0.5638664245082585,0.6316050990336509,0.5542886025632239,0.6277542663285587
EOS-3-31375,Cc1cccc(-n2cc(-c3cncc4nnc(-c5csc(-c6ccc(F)nc6)n5)n34)nn2)n1,GXRDXGSDVYBSME-UHFFFAOYSA-N,3,1,0.286,10,37,456.47,3.4,6,0.371,0.68,0.909,0.0023559043245836475,0.04858303063532315,0.13190494140223424,0.16866561579055583,0.08787737303817422
EOS-3-31376,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(Cl)c4)n23)ccn1,BNRDSIUQNMBCHJ-UHFFFAOYSA-N,3,1,0.512,97,55,433.834,4.015,5,0.386,0.66,1.0,0.9506202453567267,0.8966057843876362,0.837014255362895,0.8344698786923446,0.8796775409499006
EOS-3-31377,CCc1nc(-c2nnc3cncc(OCc4cnc(C)nc4)n23)ccc1-c1nncc(C)n1,ONNXLRVVRDIGHN-UHFFFAOYSA-N,3,1,0.396,31,690,440.471,2.587,5,0.388,0.59,0.275,0.35521897059831403,0.11976560893701597,0.027379891714070317,0.013570008909601809,0.12898362003975053
EOS-3-31378,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1F,VMMQBXFXATWNFS-UHFFFAOYSA-N,3,1,0.528,37,563,455.906,4.062,5,0.384,0.67,1.0,0.8195634295113426,0.8168819820437255,0.46419025426632854,0.5211003358234528,0.6554340004112124
EOS-3-31379,COCc1nccc(COc2cncc3nnc(-c4cc(-c5cccc(C#N)c5)ncn4)n23)n1,CTPQSGCORGWAHR-UHFFFAOYSA-N,3,1,0.368,44,238,451.45,2.635,5,0.363,0.62,0.962,0.4091306284696046,0.2633301350147351,0.29571311082173946,0.24539099444863272,0.30339121718867795
EOS-3-31380,Cc1cn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)cn1,LCAZZCJZKODEKH-UHFFFAOYSA-N,3,1,0.287,86,790,432.451,3.199,6,0.417,0.57,1.0,0.02008943869508601,0.028861969707353847,0.23045884449318071,0.20162257556027688,0.12025820711397436
EOS-3-31381,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnc(F)cn5)c4)n23)cc1,WPKKYZVZTISCBA-UHFFFAOYSA-N,3,1,0.39,52,916,483.482,4.01,6,0.392,0.8,1.0,0.2824343773559043,0.25304982523473374,0.5469724487697896,0.5982197930230965,0.42016911109588106
EOS-3-31382,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ncccn1,BQOVMFTZFPMJFL-UHFFFAOYSA-N,3,1,0.457,46,717,444.886,3.833,5,0.389,0.62,0.988,0.5581351518059078,0.5935165512987458,0.19181344664519223,0.22218319512027962,0.3914120862175313
EOS-3-31383,Cc1cc(-c2cnn(C)c2COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncn1,RNIJATGUAHPFAQ-UHFFFAOYSA-N,3,1,0.443,92,185,449.425,3.202,5,0.389,0.65,1.0,0.3897436776094853,0.4462425467754095,0.46083201973819476,0.3274278664930437,0.4060615276540333
EOS-3-31384,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(C)nn5C)nn4)n23)cn1,IWZACBKJCRMNPZ-UHFFFAOYSA-N,3,1,0.398,92,986,457.458,1.019,5,0.391,0.62,1.0,0.3143547392228086,0.15998732095127133,0.012961757247618395,0.002998423685833733,0.12257556027688302
EOS-3-31385,Cc1ccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,CERKFMXNIWFOER-UHFFFAOYSA-N,3,1,0.6,43,372,446.873,4.928,5,0.381,0.74,1.0,0.9379925981769583,0.97490747721198,0.8747001576314166,0.8795918717017339,0.9167980261805222
EOS-3-31386,Cc1ccc(-c2nnc3cncc(-c4cc(F)ccc4OCc4ccc(Cl)cn4)n23)cn1,KWIVDEBODVZJNF-UHFFFAOYSA-N,3,1,0.383,96,46,446.873,4.928,5,0.381,0.74,0.999,0.6177866493043657,0.6943321225412926,0.8590226852169145,0.8461208964430128,0.7543155883763965
EOS-3-31387,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3cc(F)c(Cl)cn3)n12,QCAOFVUXCASHFG-UHFFFAOYSA-N,3,1,0.473,16,375,465.876,3.967,5,0.374,0.72,1.0,0.6462117058460695,0.5980741553012131,0.6964310191213762,0.6041995065451305,0.6362290967034473
EOS-3-31388,Cn1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc(-c2ccco2)c1=O,XKUXKKCIPQUPJX-UHFFFAOYSA-N,3,1,0.643,11,73,447.882,4.025,5,0.39,0.68,1.0,0.38975224453430196,0.2530583921595504,0.6021091768898637,0.6457319580563361,0.47266294291001304
EOS-3-31389,Cn1c(Cc2ccc(F)cc2)nnc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3F)n12,TUXJHCXLENQMDD-UHFFFAOYSA-N,3,1,0.301,3,46,469.459,3.846,6,0.412,0.65,0.956,0.2122369954081283,0.3818792406277843,0.4502175998903434,0.580049345486944,0.4060957953533
EOS-3-31390,Cn1ncc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1-c1ccc(Cl)cc1,LEOWFMJMQJHROM-UHFFFAOYSA-N,3,1,0.387,96,121,437.841,4.845,5,0.402,0.74,0.991,0.17871461860050716,0.42407134534987323,0.8892639298197519,0.8963573435679528,0.5971018093345213
EOS-3-31391,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)n1,MWLUJFODDVPMEI-UHFFFAOYSA-N,3,1,0.523,75,278,434.912,4.585,5,0.364,0.76,1.0,0.6949232403536426,0.7043125899527106,0.5057826742512508,0.5542971694880405,0.6148289185114111
EOS-3-31392,Fc1cc(-c2cnc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)ccn1,YGDQVOHKNGESKW-UHFFFAOYSA-N,3,1,0.406,18,658,432.394,2.938,5,0.377,0.62,1.0,0.6582054005894045,0.6601415255979713,0.4679597011856624,0.4854876293605647,0.5679485641834007
EOS-3-31393,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccc2F)n1,IXGSTBCFKBRMRE-UHFFFAOYSA-N,3,1,0.512,4,677,433.472,4.04,5,0.413,0.68,1.0,0.5608337331231581,0.6359313960660681,0.33243095058597766,0.29615859091220614,0.4563386676718525
EOS-3-31394,CCOC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)nc4)n23)cc1F,QRIOVFDWXTZJAS-UHFFFAOYSA-N,3,1,0.333,66,688,413.359,4.107,4,0.458,0.82,0.939,0.4389006922075252,0.4812641354259475,0.8759937632787335,0.7809694332122541,0.644282006031115
EOS-3-31395,Fc1cnc(-c2nc(COc3cncc4nnc(-c5cnccc5F)n34)cs2)cn1,QXUDMZNFZKUHLU-UHFFFAOYSA-N,3,1,0.489,7,85,424.396,2.957,5,0.424,0.68,0.999,0.5694606264135426,0.6259594955794668,0.2957216777465561,0.33381022548146116,0.4562380063052567
EOS-3-31396,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)nn5)ncn4)n23)cn1,VMIFAXHFVIQEBP-UHFFFAOYSA-N,3,1,0.439,7,185,445.378,0.645,5,0.388,0.58,1.0,0.47183195120279625,0.3197005003084093,0.037086217531354944,0.023824617915153178,0.21311082173942844
EOS-3-31397,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)ncn1,LPPHPWBCWLIJCD-UHFFFAOYSA-N,3,1,0.495,65,858,444.886,3.622,5,0.391,0.61,1.0,0.7316839147419643,0.7229285175793297,0.4712322664656295,0.45785929682681104,0.5959259989034336
EOS-3-31398,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccccn5)n4)n23)cn1,RGZRAVLVSRFZLB-UHFFFAOYSA-N,3,1,0.423,6,843,464.453,1.808,6,0.355,0.63,1.0,0.2878401069152217,0.1677917894592557,0.029667260640120624,0.024732711945719965,0.1275079672400795
EOS-3-31399,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)ccc2F)nc1,RBCXDXKNSYVBBY-UHFFFAOYSA-N,3,1,0.536,73,665,469.814,4.293,5,0.379,0.71,1.0,0.8829072716057844,0.9469964361592763,0.8282588582002605,0.8647539579192653,0.8807291309711467
EOS-3-31400,Cc1nc(-c2cnc(C)s2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)n1,VDJKRQKIIIZOCD-UHFFFAOYSA-N,3,1,0.442,18,851,448.487,3.477,5,0.389,0.63,1.0,0.5043262970324173,0.4903193749571654,0.17234939346172298,0.15007538893838668,0.32926761359742307
EOS-3-31401,COc1ncc(C(F)F)cc1-c1cnc(COc2cncc3nnc(-c4ccccc4)n23)nc1,OFNQNYOTYDDHCM-UHFFFAOYSA-N,3,1,0.506,27,969,461.432,4.169,5,0.356,0.72,1.0,0.6737458022068399,0.6216760331711328,0.7090415324515112,0.5705143581659927,0.6437444314988692
EOS-3-31402,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)cc1F,NHKYGIWRTLYRRQ-UHFFFAOYSA-N,3,1,0.685,59,294,422.42,4.167,5,0.423,0.74,1.0,0.8666643821533823,0.8583287643067644,0.8319169350969776,0.8122215749434583,0.8422829141251457
EOS-3-31403,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)nc2)cn1,LHXBSGXTRSDSQD-UHFFFAOYSA-N,3,1,0.31,38,170,418.42,3.965,6,0.423,0.71,1.0,0.13752484408196833,0.1233465835103831,0.5633866767185252,0.5412069083681722,0.3413662531697622
EOS-3-31404,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)no1,PDFCMYNNLPSHBF-UHFFFAOYSA-N,3,1,0.473,27,69,454.372,3.595,5,0.379,0.72,1.0,0.5608423000479748,0.689526077719142,0.47803440477006376,0.41032999794393804,0.5346831951202796
EOS-3-31405,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccccc6)n5)n34)cc2)c1,PFYPLUQYRLSDIT-UHFFFAOYSA-N,3,1,0.413,93,757,445.461,5.116,6,0.375,0.79,1.0,0.31436330614762525,0.4769635391679803,0.6910595572613255,0.7640240559248852,0.561602614625454
EOS-3-31406,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c(Cl)c1,BMLDSQDSUXLTFM-UHFFFAOYSA-N,3,1,0.494,13,145,438.825,4.916,5,0.398,0.74,1.0,0.679956822698924,0.7967668425741896,0.9170464670002056,0.9236087314097732,0.8293447159207732
EOS-3-31407,Fc1cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cc(-c2ccccn2)n1,NVLKLBSCODCBDS-UHFFFAOYSA-N,3,1,0.5,24,583,449.396,3.682,5,0.365,0.65,0.987,0.8791635254609006,0.8424114179973956,0.7376036597902816,0.7300047974778974,0.7972958501816187
EOS-3-31408,COc1ncc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)cc1-c1cnccn1,LWBLUCFBACOWPV-UHFFFAOYSA-N,3,1,0.495,65,324,460.885,3.322,5,0.36,0.66,1.0,0.6949318072784594,0.660150092522788,0.38477486121581794,0.3434137482009458,0.5208176273045028
EOS-3-31409,Fc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)c2)c(F)c1,RBISKODOONAELP-UHFFFAOYSA-N,3,1,0.36,45,575,438.8,4.986,5,0.397,0.75,1.0,0.45066307998081007,0.6943406894661093,0.969827290795696,0.9812555685011308,0.7740216571859364
EOS-3-31410,Cc1cccc(Cc2cncc3nnc(-c4ccc(-c5ncnc(C)n5)c(F)c4)n23)c1,HSCPFPVAJMWSAD-UHFFFAOYSA-N,3,1,0.36,14,81,411.444,3.99,5,0.445,0.84,1.0,0.4575337536837777,0.45045747378521006,0.5668905489685423,0.5312949763552876,0.5015441881982045
EOS-3-31411,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,RLXJCXHMEFFNDT-UHFFFAOYSA-N,3,1,0.46,51,196,418.848,3.214,5,0.432,0.64,1.0,0.529992803783154,0.45942704406826124,0.3736721266534165,0.3790692892879172,0.43554031594818726
EOS-3-31412,Cc1nnc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2F)o1,ZLKAWPQQVCWFHR-UHFFFAOYSA-N,3,1,0.484,27,69,454.372,3.595,5,0.379,0.67,0.996,0.740327941881982,0.6994208758823932,0.570223082722226,0.47627818518264686,0.6215625214173119
EOS-3-31413,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)nc2F)n1,SNQWFTGXNVFYCP-UHFFFAOYSA-N,3,1,0.446,46,223,433.382,2.599,5,0.386,0.61,0.963,0.540076074292372,0.5269258446987869,0.2775512302104037,0.2843362346652046,0.4072223459666918
EOS-3-31414,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cnn1,MKPARERPPLXWHO-UHFFFAOYSA-N,3,1,0.427,6,826,464.453,1.808,6,0.355,0.65,0.948,0.36903742032759923,0.159995887876088,0.0414896168871222,0.047777739702556374,0.15457516619834144
EOS-3-31415,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(-c5cncc(F)c5)s4)n23)cc1F,CTUOOLKENAAFBX-UHFFFAOYSA-N,3,1,0.443,4,788,480.46,2.922,5,0.394,0.73,1.0,0.4718405181276129,0.38647967925433485,0.2735504763210198,0.257556027688301,0.3473566753478171
EOS-3-31416,Fc1ccccc1-c1ncccc1-c1cncc2nnc(-c3cncnc3-c3cccnc3)n12,AIQVDHHCJZUSBG-UHFFFAOYSA-N,3,1,0.35,32,515,446.449,4.511,6,0.393,0.66,0.924,0.27172572133506956,0.3580974573367144,0.6082002604345145,0.6743711877184566,0.4780986567061888
EOS-3-31417,CCn1cncc1-c1cncc(-c2nnc3cncc(Oc4cc(Cl)ccc4F)n23)c1,NWMFXAPNWYYAAO-UHFFFAOYSA-N,3,1,0.43,13,995,435.85,4.655,5,0.399,0.73,1.0,0.52478411349462,0.6308340758001508,0.7753323966828867,0.7786906312110204,0.6774103042971695
EOS-3-31418,Cc1cc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)[nH]2)ccn1,YMVGMYVFTXRMFS-UHFFFAOYSA-N,3,1,0.467,16,677,431.887,4.426,5,0.442,0.7,1.0,0.5375316976218216,0.6649647042697553,0.6718610787471729,0.6195257350421493,0.6234708039202248
EOS-3-31419,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5F)n34)s2)nn1,LJJXUUJWFIONBK-UHFFFAOYSA-N,3,1,0.337,10,314,460.433,3.435,6,0.424,0.6,0.999,0.2259954766636968,0.39577479268041943,0.26254197793160167,0.3594852991570146,0.3109493866081831
EOS-3-31420,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnc(F)nc5)ccn4)n23)ccc1Cl,UZTQBSOGWWPALM-UHFFFAOYSA-N,3,1,0.529,4,744,447.861,4.323,5,0.37,0.74,1.0,0.798197519018573,0.8942241792886025,0.8155626756219587,0.7854328010417381,0.8233542937427181
EOS-3-31421,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ncc1-c1ccc(F)cn1,HGXAHGMFHLDRAU-UHFFFAOYSA-N,3,1,0.456,46,162,463.86,4.023,5,0.372,0.67,1.0,0.6582139675142211,0.6601586594476047,0.6613323281474882,0.6251370707970667,0.6512105064765952
EOS-3-31422,Clc1ccnc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)c1,RZIUEPIEMDUPDY-UHFFFAOYSA-N,3,1,0.553,97,525,450.289,4.529,5,0.364,0.71,1.0,0.5017990542115003,0.7089815639777945,0.7614368446302515,0.8122301418682749,0.6961119011719553
EOS-3-31423,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5nccs5)cc4F)n23)nc1,KVYWAZSXKOZRKG-UHFFFAOYSA-N,3,1,0.326,76,968,457.458,2.701,6,0.393,0.56,1.0,0.165050373517922,0.29447947364813926,0.08205400589404427,0.1228411349461997,0.16610624700157633
EOS-3-31424,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)s5)n34)nc2)ccn1,CKPFWBYIMWGRIP-UHFFFAOYSA-N,3,1,0.28,70,957,424.449,4.027,6,0.417,0.67,0.991,0.14289630594201905,0.1639623740662052,0.25887533411006786,0.2993112192447399,0.216261308340758
EOS-3-31425,Cc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnnn1C,UWKKJIMBIOYJHZ-UHFFFAOYSA-N,3,1,0.447,31,904,431.435,2.446,5,0.403,0.59,1.0,0.4205674730998561,0.3772616681516003,0.21280241244602838,0.18776129120690838,0.2995982112260983
EOS-3-31426,Cc1ccc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)cc1-c1ncn(C)n1,MLULZKRIMNFPTC-UHFFFAOYSA-N,3,1,0.473,36,677,433.863,2.918,5,0.389,0.63,1.0,0.4135168939757385,0.5269344116236035,0.2092557055719279,0.17960557878144062,0.3323281474881776
EOS-3-31427,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4Cl)n23)n1,KWCVJSVLIYSNEY-UHFFFAOYSA-N,3,1,0.506,20,279,465.304,3.967,5,0.371,0.68,1.0,0.7642896305942019,0.8834641217188678,0.4987492289767665,0.6042080734699472,0.6876777636899458
EOS-3-31428,Fc1cccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)c1,GGRFGYUULVQBDQ-UHFFFAOYSA-N,3,1,0.523,1,92,448.408,4.904,5,0.368,0.79,0.999,0.722457336714413,0.8755739839627168,0.9160869714207388,0.8879874580220684,0.8505264375299844
EOS-3-31429,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncn4)n23)cn1,KWTXRUTXNYYCAN-UHFFFAOYSA-N,3,1,0.422,4,617,474.872,2.025,5,0.387,0.64,1.0,0.4967103008703996,0.49032794188198203,0.10931396066068125,0.0814371873072442,0.29444734768007674
EOS-3-31430,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c(-c2ccccc2)n1,MGRIYWBIUZOQJL-UHFFFAOYSA-N,3,1,0.284,30,321,432.451,3.404,6,0.449,0.57,0.997,0.1485504763210198,0.11634740593516552,0.18190151463230758,0.19868412034815983,0.1613708793091632
EOS-3-31431,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)n(C)n1,YYLADMGSPQMYPB-UHFFFAOYSA-N,3,1,0.506,4,677,416.42,3.008,5,0.435,0.7,1.0,0.5142296621204853,0.4903365088067987,0.31384929065862516,0.25756459461311765,0.3939950140497567
EOS-3-31433,CCn1nnnc1CCOc1cncc2nnc(-c3ccc(F)c(-c4ccc(Cl)nn4)c3)n12,DFMOIZRPNVFRQX-UHFFFAOYSA-N,3,1,0.463,36,404,466.868,2.669,5,0.356,0.72,1.0,0.46940751147967924,0.5176992666712357,0.05332910698375711,0.14752244534301967,0.29698958261942293
EOS-3-31434,Fc1cccc(-c2ncsc2-c2nnc3cncc(-c4cccc(-c5ccnnc5)n4)n23)c1,PPXMRFNUYMIWNK-UHFFFAOYSA-N,3,1,0.354,32,20,452.478,4.573,6,0.387,0.71,1.0,0.14290487286683573,0.24312075937221575,0.4466451922417929,0.5446079775203893,0.3443197005003084
EOS-3-31435,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc(C#N)n1,LULCTOLLYJSCOV-UHFFFAOYSA-N,3,1,0.378,31,105,446.822,1.271,5,0.382,0.6,0.987,0.3962802412446028,0.5269429785484202,0.0285021588650538,0.05442567336029059,0.25153776300459185
EOS-3-31436,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c2)nc1,FAMWLKORIYWUAT-UHFFFAOYSA-N,3,1,0.457,18,265,449.396,3.682,5,0.391,0.59,1.0,0.7673394558289356,0.6601672263724213,0.8053252004660407,0.8035261462545404,0.7590895072304846
EOS-3-31437,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)c2)n1C,AFAXKWATPUMVKP-UHFFFAOYSA-N,3,1,0.582,43,138,465.439,4.493,5,0.38,0.74,1.0,0.7785792611884038,0.6699420875882394,0.9094561716126379,0.8243180727845932,0.7955738982934686
EOS-3-31438,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3c(C)nn(C)c3-c3ccccc3O)n12,FCVJHUYOEFXRKA-UHFFFAOYSA-N,3,1,0.32,62,124,439.479,3.28,5,0.443,0.67,0.97,0.14291343979165239,0.09750873826331301,0.21613494619971216,0.15008395586320333,0.15166027002947022
EOS-3-31439,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)ccn1,FBSJDJCIPKASKK-UHFFFAOYSA-N,3,1,0.54,75,496,431.406,3.543,5,0.38,0.64,1.0,0.8644969501747652,0.7502655746693166,0.7546604071002673,0.7355390309094647,0.7762404907134535
EOS-3-31440,Clc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)cc1,ZPKJQQICTFULGP-UHFFFAOYSA-N,3,1,0.482,44,971,436.262,4.742,5,0.376,0.75,1.0,0.5694691933383592,0.6259680625042835,0.7663885271742855,0.8441419368103625,0.7014919299568227
EOS-3-31442,Fc1cccc(F)c1-c1nccnc1-c1nnc2cncc(-c3nnn(-c4cnccn4)n3)n12,YVRAHWPPVFZQDP-UHFFFAOYSA-N,3,1,0.289,39,527,456.38,1.959,6,0.387,0.57,0.436,0.010031868960318005,0.10747207182509766,0.07777911041052704,0.18244979782057433,0.09443321225412926
EOS-3-31443,Cc1ncc(-c2cncc(-c3nnc4cncc(COc5ccncc5Cl)n34)c2)o1,QYEDCJNAGJIVDJ-UHFFFAOYSA-N,3,1,0.372,2,767,419.832,3.777,5,0.424,0.75,1.0,0.49178431910081555,0.47697210609279694,0.5333510383112878,0.4883918168734151,0.49762482009457887
EOS-3-31444,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)nc1C,IULDZSCMDJJSOY-UHFFFAOYSA-N,3,1,0.386,31,690,444.474,3.8,5,0.393,0.64,0.995,0.48930847782879855,0.3581060242615311,0.35843156740456444,0.2453995613734494,0.36281140771708587
EOS-3-31445,Cc1cnc(-c2ncncc2-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cn1,BILDGRIJFRTCLE-UHFFFAOYSA-N,3,1,0.449,7,819,445.874,3.017,5,0.363,0.65,1.0,0.5400846412171887,0.5888133095743951,0.15327941881982043,0.18245836474539098,0.3661589335891989
EOS-3-31446,Cc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6nnc(C)s6)nc5)n34)n(C)n2)cn1,BNXJPSXDWXFBHA-UHFFFAOYSA-N,3,1,0.337,99,14,467.522,3.179,6,0.384,0.64,0.995,0.06706188746487561,0.09140052086902885,0.016876841888835585,0.013578575834418478,0.047229456514289635
EOS-3-31447,Cn1ccnc1-c1cc(F)ccc1-c1nnc2cncc(-c3cnc(-c4ccccn4)cn3)n12,RDBWTKIQGVYRGQ-UHFFFAOYSA-N,3,1,0.346,86,72,449.453,3.85,6,0.403,0.6,1.0,0.19027140017819202,0.34368788979507914,0.4172092385717223,0.445171681173326,0.3490850524295799
EOS-3-31448,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cnccn4)n23)cc(C#N)n1,RFIRHXDHVHLESZ-UHFFFAOYSA-N,3,1,0.452,20,658,424.428,1.87,5,0.4,0.61,0.999,0.5400932081420053,0.33847919950654515,0.1207422383661161,0.09832259612089644,0.2744093105338907
EOS-3-31449,Fc1ccc(-c2nnc3cncc(OCc4nnc(C(F)(F)F)o4)n23)cc1-c1ccccn1,IRGJNGYPBSVIMJ-UHFFFAOYSA-N,3,1,0.523,27,799,457.347,3.973,5,0.365,0.71,1.0,0.7673480227537524,0.8054023027893907,0.843250976629429,0.7407048865739154,0.7891765471866219
EOS-3-31450,Fc1cc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)ccn1,KEXGXURTPKXMBF-UHFFFAOYSA-N,3,1,0.512,97,91,432.846,4.62,5,0.377,0.71,1.0,0.8372626961825783,0.8284301966965938,0.8978137207867863,0.9001953258858201,0.8659254848879446
EOS-3-31451,Cn1nncc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cn1,YSOPULBBQWSQNI-UHFFFAOYSA-N,3,1,0.517,73,212,454.281,3.263,5,0.398,0.61,1.0,0.43890925913234186,0.6601757932972381,0.37368069357823314,0.49452573504214925,0.49182287026249055
EOS-3-31452,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ccnc(F)c5)n4)n23)nn1,NDAKRERELRDIRX-UHFFFAOYSA-N,3,1,0.258,99,813,440.406,1.968,6,0.407,0.58,0.158,0.09074086765814543,0.21241690082927833,0.09184600095949558,0.11602186279213214,0.12775640805976288
EOS-3-31453,N#CCc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cn1,ULGBUKJNLVROKS-UHFFFAOYSA-N,3,1,0.535,55,770,421.424,2.683,5,0.406,0.66,1.0,0.5581437187307244,0.48574463710506477,0.3358577205126448,0.2604687821259681,0.4100537146186005
EOS-3-31454,FCc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)ccn1,ZFHJKXVCUMOQLZ-UHFFFAOYSA-N,3,1,0.522,35,76,432.484,4.401,5,0.379,0.72,1.0,0.6202967582756493,0.6075920087725311,0.5232677678020697,0.4702727708861627,0.5553573264341032
EOS-3-31455,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5F)cn4)n23)cc1,BNFFUFXFIVZEMG-UHFFFAOYSA-N,3,1,0.464,62,504,485.454,3.743,5,0.392,0.84,1.0,0.19291857994654238,0.2944880405729559,0.6748595024330066,0.5376687684188883,0.4249837228428483
EOS-3-31456,Cc1cnc(C(F)F)cc1-c1nnc2cncc(-c3ccc(-c4ccc(F)cc4)nc3)n12,RDSNHAGLEILWSR-UHFFFAOYSA-N,3,1,0.333,96,46,432.409,5.3,5,0.385,0.85,1.0,0.3192293194434926,0.5405900897813721,0.9438952093756425,0.9276351860736071,0.6828374511685286
EOS-3-31457,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cnn1,KTTUJIKMKIGHSG-UHFFFAOYSA-N,3,1,0.303,70,899,432.451,3.106,6,0.418,0.57,0.963,0.08336474539099445,0.041386813789322185,0.23745802206839833,0.24540812829826605,0.15190442738674526
EOS-3-31458,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cnc1Cl,NIWGSZWKINSOAP-UHFFFAOYSA-N,3,1,0.527,35,76,447.861,4.057,5,0.362,0.68,1.0,0.8623723528202316,0.9197279144678226,0.7274261531080803,0.7328233157425811,0.8105874340346789
EOS-3-31459,Fc1ncc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)cc1Cl,VZKOYWLFVBKUKG-UHFFFAOYSA-N,3,1,0.517,75,496,447.861,4.057,5,0.362,0.68,1.0,0.8811424850935509,0.8942327462134192,0.7247275717908299,0.7328318826673977,0.8082336714412994
EOS-3-31460,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cn(C)c2=O)cn1,WDFFTSOJTYZNEU-UHFFFAOYSA-N,3,1,0.385,92,662,443.471,1.876,5,0.404,0.58,1.0,0.12091357686244945,0.041395380714138855,0.06910081557124255,0.03346240833390446,0.06621804537043383
EOS-3-31461,Cc1nnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)s1,UZAJHJFZRAUDMK-UHFFFAOYSA-N,3,1,0.444,46,88,420.433,3.126,5,0.4,0.69,1.0,0.4818209855390309,0.36758961003358237,0.21968165307381263,0.2047837708176273,0.31846900486601326
EOS-3-31462,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5nc(Cl)ns5)n34)ccn2)nc1,RSWXJYYMQPOMJN-UHFFFAOYSA-N,3,1,0.488,7,775,441.839,2.866,5,0.405,0.63,1.0,0.4598125556850113,0.5596600644232747,0.09627510108971284,0.14753101226783633,0.3158196833664588
EOS-3-31463,Cc1cc(-c2nnc3cncc(Oc4ccc(-c5ccc(Cl)nn5)cn4)n23)ccc1Cl,ZNGBGOHSDVIVDV-UHFFFAOYSA-N,3,1,0.4,13,412,450.289,5.051,5,0.378,0.79,1.0,0.7344767322321979,0.8353951065725447,0.7823230073332876,0.8056421766842574,0.789459255705572
EOS-3-31464,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)nn5)cn4)n23)nc1,MDKMGMFHVCQNKE-UHFFFAOYSA-N,3,1,0.267,99,813,468.872,2.549,6,0.379,0.61,0.985,0.12948906860393394,0.18073641285724076,0.1119354396545816,0.147539579192653,0.1424251250771023
EOS-3-31465,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)cc4F)n23)n(C)n1,QNMIHTRHIUJLFJ-UHFFFAOYSA-N,3,1,0.466,36,662,418.436,2.952,5,0.436,0.68,1.0,0.4842197244876979,0.5043948324309506,0.3029007607429237,0.2281714755671304,0.37992169830717565
EOS-3-31466,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)nc2)n1C,YPBCLEOURFSRNP-UHFFFAOYSA-N,3,1,0.299,70,543,464.468,3.553,6,0.389,0.62,0.974,0.16768898636145568,0.23260914262216434,0.27355904324583646,0.315142896305942,0.24725001713384964
EOS-3-31467,Fc1ccccc1-c1nnc2cncc(-c3ccc(-c4nnnn4-c4ccccc4F)s3)n12,BYMLZJTWOFOSDH-UHFFFAOYSA-N,3,1,0.392,10,298,458.457,4.441,6,0.388,0.71,0.998,0.05645603454184086,0.3144575423206086,0.4780429716948804,0.6514032622849701,0.375089952710575
EOS-3-31468,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnn2)nn1,AYXFALZSNGVAKJ-UHFFFAOYSA-N,3,1,0.495,53,778,429.419,2.502,5,0.401,0.6,1.0,0.6799653896237406,0.6359399629908848,0.2735676101706531,0.25757316153793436,0.4617615310808032
EOS-3-31469,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cn(C)cn1,YNFKLMJUXRAYMN-UHFFFAOYSA-N,3,1,0.515,35,619,461.913,3.87,5,0.363,0.69,1.0,0.7344852991570145,0.6171955314920157,0.5830049345486944,0.48234356795284766,0.6042573332876431
EOS-3-31470,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)cn4)n23)cn1,GXVXHVCDIIXRIU-UHFFFAOYSA-N,3,1,0.524,27,69,432.394,3.555,5,0.401,0.61,1.0,0.6432475498595024,0.6404033308203687,0.7142502227400452,0.5953241724350627,0.6483063189637448
EOS-3-31471,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cc2)nn1,XIIKLRCXLGZWHW-UHFFFAOYSA-N,3,1,0.347,69,867,462.904,5.026,6,0.362,0.8,1.0,0.2767802069769036,0.3530601055445137,0.6664125145637722,0.7056575971489274,0.5004776060585292
EOS-3-31472,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)n(C)n1,UXBAFVKDRMHCDG-UHFFFAOYSA-N,3,1,0.422,4,122,415.432,3.613,5,0.436,0.76,0.999,0.3318141319991776,0.3722328832842163,0.4608405866630114,0.44841854567884315,0.40332653690631215
EOS-3-31473,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccnn5)n4)n23)cn1,CAUFDYIXKOSNIT-UHFFFAOYSA-N,3,1,0.392,6,816,464.453,1.808,6,0.355,0.62,0.965,0.3528116647248304,0.212425467754095,0.03861113014872181,0.03230587348365431,0.1590385340278254
EOS-3-31474,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ccn5)cn4)n23)cn1,SJVGTLLERDBEMG-UHFFFAOYSA-N,3,1,0.561,4,205,413.416,3.67,5,0.434,0.8,1.0,0.6709272839421562,0.7136505380028785,0.6082088273593311,0.5412154752929889,0.6335005311493387
EOS-3-31475,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)nc1,AVMBBZFMUCNVRJ-UHFFFAOYSA-N,3,1,0.576,19,308,449.396,3.682,5,0.391,0.61,1.0,0.8464207388115962,0.7367641011582482,0.8352923034747447,0.8441505037351792,0.8156569117949422
EOS-3-31476,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4ncccc4F)n3)n12,TXBGCCXYSKGAFL-UHFFFAOYSA-N,3,1,0.467,18,692,449.396,3.682,5,0.391,0.61,1.0,0.8417517647865123,0.7802326776780207,0.6881468028236584,0.7166917963127956,0.7567057604002467
EOS-3-31477,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)c(C)c2)n(C)n1,BZPCYVBIAKEHFE-UHFFFAOYSA-N,3,1,0.506,16,256,418.486,3.239,5,0.432,0.69,1.0,0.2934514426701391,0.19822150640805977,0.07111404290315948,0.047786306627373036,0.15264332465218286
EOS-3-31478,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1ncn(C)n1,XCTDBYQNSVVYJG-UHFFFAOYSA-N,3,1,0.568,49,308,464.436,2.89,5,0.362,0.66,0.923,0.5952470701117127,0.4102443286957714,0.3811424850935508,0.3089147419642245,0.4238871564663148
EOS-3-31480,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ncn2)n1,BGURKEQDHZALFE-UHFFFAOYSA-N,3,1,0.36,46,726,425.387,2.628,5,0.417,0.6,0.313,0.7161520800493455,0.5685782331574258,0.5400846412171887,0.5009080940305668,0.5814307621136316
EOS-3-31481,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,CQJILKNYURWLRF-UHFFFAOYSA-N,3,1,0.451,51,196,450.865,3.836,5,0.388,0.63,1.0,0.5300013707079707,0.5132358988417518,0.4952624905763827,0.5009166609553835,0.5098541052703722
EOS-3-31482,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)s2)n(C)n1,CLPMTIKGNPWVMP-UHFFFAOYSA-N,3,1,0.31,98,746,454.523,3.419,6,0.402,0.6,1.0,0.05283222534439038,0.1007813035432801,0.057038585429374275,0.05589061750394079,0.0666356829552464
EOS-3-31483,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)s5)n34)cc2)n(C)n1,DZZNKYDIJRSNAI-UHFFFAOYSA-N,3,1,0.324,98,882,454.523,3.419,6,0.402,0.6,1.0,0.06707045438969228,0.08519806730176135,0.04620999246110616,0.04136967993968885,0.05996204852306216
EOS-3-31484,Clc1cccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)nc5)n34)cn2)c1,CECLDQNBSFCZHU-UHFFFAOYSA-N,3,1,0.39,42,693,452.869,3.749,6,0.429,0.58,1.0,0.10541600986909738,0.2944966074977726,0.4247652662600233,0.5211089027482695,0.3364466965937907
EOS-3-31485,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4nccnc4-c4ccccc4)n23)nc1,XYMUMSRAODIPRX-UHFFFAOYSA-N,3,1,0.315,64,318,447.462,3.836,6,0.392,0.63,1.0,0.47184908505242956,0.19365533548077582,0.19182201357000891,0.18776985813172503,0.26127407305873485
EOS-3-31486,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nc(C)n2)nn1,HYASSPOOYUHYRJ-UHFFFAOYSA-N,3,1,0.43,31,851,425.456,2.672,5,0.405,0.61,1.0,0.5118223562470016,0.16000445480090467,0.07778767733534371,0.05880337194160784,0.20210446508121443
EOS-3-31487,Cc1nc(-c2cc(F)ccn2)c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)s1,ZPKOLKSGXNGBEC-UHFFFAOYSA-N,3,1,0.321,52,582,471.521,4.317,6,0.41,0.69,1.0,0.07117401137687615,0.18484853676924132,0.11194400657939826,0.20163114248509356,0.14239942430265234
EOS-3-31488,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccccc4F)n23)cc1,PGTAMCBQNVHYOT-UHFFFAOYSA-N,3,1,0.359,9,98,448.465,4.455,6,0.396,0.65,1.0,0.16769755328627237,0.2633387019395518,0.583013501473511,0.622344253306833,0.409098502501542
EOS-3-31489,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)c2)n1C,ZTRMDFXURZTDOH-UHFFFAOYSA-N,3,1,0.383,30,220,462.492,4.763,6,0.375,0.76,1.0,0.13229901994380097,0.2786563635117538,0.48870879309163184,0.5509218011102734,0.36264649441436503
EOS-3-31490,COc1cc(-c2nncc(C)n2)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,KEMBRCGTLRUGKS-UHFFFAOYSA-N,3,1,0.5,15,771,458.457,3.116,5,0.363,0.64,1.0,0.7785878281132205,0.602563223905147,0.3775872112946337,0.2812435748063875,0.5099954595298472
EOS-3-31491,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)nc4)n23)nc1)N1CCOCC1,KMMKJDRVSOSGCN-UHFFFAOYSA-N,3,1,0.387,52,821,482.479,2.922,6,0.36,0.81,0.94,0.06914365019532588,0.01794770749091906,0.021186005071619492,0.07009457884997601,0.04459298540196011
EOS-3-31492,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5cccc(C(F)(F)F)n5)n34)c2)c1,CVKYKSCGQQRIPN-UHFFFAOYSA-N,3,1,0.457,27,160,467.386,4.38,5,0.354,0.77,1.0,0.6522513878418204,0.669950654513056,0.9555976286752107,0.9037334658351038,0.7953832842162977
EOS-3-31493,FC(F)c1ccc(-c2nnc3cncc(CCCc4ccc(-c5cnco5)nc4)n23)cn1,PMVNICHCDKSEBS-UHFFFAOYSA-N,3,1,0.467,85,290,433.422,4.349,5,0.377,0.71,1.0,0.4069888972654376,0.4769806730176136,0.5736155849496265,0.5211174696730861,0.49467565622644094
EOS-3-31494,Cc1nc(-c2ccccc2)ncc1-c1nnc2cncc(-c3ccc(-c4ccn[nH]4)cc3F)n12,FGFRRNAVJZUTQX-UHFFFAOYSA-N,3,1,0.318,30,553,448.465,4.753,6,0.418,0.7,1.0,0.31923788636830924,0.372241450209033,0.6082173942841478,0.6427506682201357,0.4856118497704064
EOS-3-31495,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)ccc1C(F)F,VECRLVGDSWXFSC-UHFFFAOYSA-N,3,1,0.447,7,343,462.42,3.564,5,0.358,0.67,1.0,0.7553800287848674,0.6076005756973477,0.7685730930025358,0.5982283599479131,0.682445514358166
EOS-3-31496,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)n5)cn4)n23)nc1,ICGOWGRJDBMMMK-UHFFFAOYSA-N,3,1,0.265,70,813,451.429,2.64,6,0.372,0.6,0.951,0.04527619765608937,0.16397094099102186,0.25197895963265027,0.2427609485299157,0.1759967617024193
EOS-3-31497,Clc1cc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)nn2)ccn1,UDCZDAYKDCOALV-UHFFFAOYSA-N,3,1,0.271,94,892,453.857,2.939,6,0.37,0.62,0.998,0.002638612843533685,0.09451031457747927,0.1986412857240765,0.2961671578370228,0.14798934274552805
EOS-3-31499,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ncn2)cn1,SCEXYVJKTPUREL-UHFFFAOYSA-N,3,1,0.383,44,971,416.832,3.792,5,0.435,0.71,0.97,0.5221626345007196,0.5223254060722363,0.44312418614214244,0.4608748543622781,0.4871217702693441
EOS-3-31500,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NCCF)cn4)n23)ncn1,YFLFIVSSITWELB-UHFFFAOYSA-N,3,1,0.379,33,760,475.448,1.05,5,0.345,0.67,0.803,0.21772839421561235,0.03171475567130423,0.024150161058186553,0.01117983688575149,0.07119328695771365
EOS-3-31501,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5nc(C)cc(F)n5)cnn4)n23)cn1,KOCSSTZKBGBBEC-UHFFFAOYSA-N,3,1,0.385,7,828,430.407,2.163,5,0.382,0.62,1.0,0.4506716469056268,0.4681396066068124,0.09185456788431225,0.07010314577479268,0.27019224179288603
EOS-3-31502,Cc1nc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncccc6C)cc5)n34)c2)n(C)n1,LDYSTQSAAIPUGN-UHFFFAOYSA-N,3,1,0.284,42,725,459.517,4.328,6,0.387,0.7,1.0,0.09534130628469605,0.05600198752655747,0.2588839010348845,0.23693543965458158,0.16179065862517988
EOS-3-31503,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnc(F)c5)s4)n23)cc1,CSOBQPFQYRHPRJ-UHFFFAOYSA-N,3,1,0.318,38,725,455.482,3.911,6,0.372,0.68,1.0,0.13230758686861765,0.25306695908436705,0.32137105064765953,0.3402782537180454,0.2617559625796724
EOS-3-31504,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)no1,UMTNQETYTSQULF-UHFFFAOYSA-N,3,1,0.483,59,772,438.369,4.146,5,0.407,0.66,1.0,0.767356589678569,0.6505465698033034,0.8892724967445685,0.8615756288122816,0.7921878212596807
EOS-3-31505,Clc1ccccc1-c1nnc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)o1,VMQJPBQLTUISKR-UHFFFAOYSA-N,3,1,0.342,30,543,453.853,4.014,6,0.389,0.67,0.983,0.1294976355287506,0.2377064628880817,0.1787317524501405,0.36926016037283255,0.22879900280995136
EOS-3-31506,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)nc1,GWVBWKKTBIDIMC-UHFFFAOYSA-N,3,1,0.536,16,921,447.861,4.323,5,0.396,0.65,1.0,0.7316924816667809,0.7321379617572477,0.6936382016311425,0.6804023027893907,0.7094677369611405
EOS-3-31507,COc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1nccs1,FUBOZARTPJWAFD-UHFFFAOYSA-N,3,1,0.482,49,501,431.481,3.335,5,0.387,0.67,1.0,0.44595983825645946,0.2431293262970324,0.13814166266876843,0.0884106641080118,0.22891037283256804
EOS-3-31508,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)nc2F)n1,FTLYFKBVHDHKQW-UHFFFAOYSA-N,3,1,0.411,46,223,447.409,2.907,5,0.375,0.62,0.984,0.5221712014255363,0.5132444657665685,0.25889246795970117,0.23104139538071414,0.38133738263313
EOS-3-31509,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cccnc4)c3C)n12,KBBBWQCWSCRUJI-UHFFFAOYSA-N,3,1,0.517,37,545,443.486,3.964,5,0.395,0.66,1.0,0.44121376190802547,0.4725001713384963,0.4281492015626071,0.3790778562127339,0.43023524775546573
EOS-3-31510,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnc7ccccn67)cc5)n34)nn2)cc1,UCBGTOBVSGEUDO-UHFFFAOYSA-N,3,1,0.341,3,783,474.463,3.888,7,0.381,0.7,1.0,0.027748269481187034,0.1484476732232198,0.45022616681516003,0.5607223631005415,0.2967861181550271
EOS-3-31511,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccc2F)cnn1,QNBPBSKCLPHKMU-UHFFFAOYSA-N,3,1,0.534,37,545,445.433,3.851,5,0.392,0.62,1.0,0.9158213967514222,0.8942413131382358,0.7823315742581043,0.7587982317867178,0.83779812898362
EOS-3-31512,OCc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nc1,XSAKJZOIAMNFAB-UHFFFAOYSA-N,3,1,0.475,35,76,459.897,3.411,5,0.368,0.7,1.0,0.694940374203276,0.6308426427249675,0.6498526488931533,0.6105133301350147,0.6465372489891029
EOS-3-31513,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5cc(C)nc(C)c5F)n34)c2)cn1,GSIKTPKNFKQLNF-UHFFFAOYSA-N,3,1,0.421,92,36,444.474,3.8,5,0.393,0.68,1.0,0.29615859091220614,0.27359331094510314,0.4320043177301076,0.2932030018504558,0.3237398053594682
EOS-3-31514,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ncn2)cn1,XCKRGPLPZHYZLH-UHFFFAOYSA-N,3,1,0.39,18,194,449.837,2.847,5,0.36,0.63,0.588,0.6769498320882736,0.6404118977451854,0.27357617709546983,0.3465749434582962,0.48437821259680625
EOS-3-31515,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cnnn1C,GDPDNTLERZXWFX-UHFFFAOYSA-N,3,1,0.464,36,638,463.889,2.66,5,0.359,0.64,1.0,0.5043348639572339,0.5132530326913851,0.19864985264889315,0.17136419710780618,0.3469004866013296
EOS-3-31516,FC(F)c1ccc(Cc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1,BLOHYFRRFXRNOK-UHFFFAOYSA-N,3,1,0.38,85,674,416.395,3.567,5,0.432,0.7,1.0,0.3064131999177575,0.3625265574669317,0.711782948392845,0.662882941539305,0.5109014118292098
EOS-3-31517,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cn1,UQRQRJBVQSNHOL-UHFFFAOYSA-N,3,1,0.303,38,154,420.44,3.039,6,0.466,0.66,1.0,0.06166472483037489,0.05995133986704133,0.29203790007538893,0.26368994585703515,0.16933597765746006
EOS-3-31518,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ncccc4COc4ccccc4)n23)n1,XVEGVRKCRAEHSR-UHFFFAOYSA-N,3,1,0.327,76,387,461.489,3.623,6,0.37,0.69,0.996,0.08337331231581112,0.04501062298677267,0.16263450071962168,0.18505414296484135,0.1190181447467617
EOS-3-31519,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)nc2F)cn1,CQEIPSXOHXWICY-UHFFFAOYSA-N,3,1,0.379,31,662,431.435,2.712,5,0.391,0.63,0.899,0.3192464532931259,0.2993283530943732,0.15950757316153794,0.10247755465698033,0.22013998355150438
EOS-3-31520,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cnco5)cc4F)n23)nc1,AMSZUXZYPQPVAT-UHFFFAOYSA-N,3,1,0.376,41,318,454.425,4.173,6,0.382,0.69,1.0,0.7193561099307793,0.6076091426221644,0.5702316496470426,0.4884003837982318,0.5963993214995545
EOS-3-31521,c1cc(-c2csnn2)cc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,AELLSDQVKFYVOK-UHFFFAOYSA-N,3,1,0.324,69,38,423.461,4.632,6,0.408,0.78,1.0,0.07687101637996024,0.11348605304639846,0.5702402165718594,0.5891388527174286,0.3374340346789117
EOS-3-31522,Clc1cccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)cn2)n1,MOSZATKTMVQZMB-UHFFFAOYSA-N,3,1,0.272,94,664,452.869,3.544,6,0.373,0.64,0.586,0.013904118977451854,0.10748063874991433,0.28115790555822084,0.37565108628606675,0.19454843739291344
EOS-3-31523,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)cnn2)nn1,JEICQCDJDIVBRH-UHFFFAOYSA-N,3,1,0.243,99,813,436.443,1.839,6,0.406,0.56,1.0,0.015540401617435405,0.0105116167500514,0.08961860050716194,0.08306490302241107,0.04968388047426495
EOS-3-31524,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cn1,BRBGLLPEHFEGJH-UHFFFAOYSA-N,3,1,0.429,50,243,420.358,3.782,5,0.437,0.63,0.875,0.3090261119868412,0.526951545473237,0.7663970940991022,0.7273233500102803,0.5824245253923652
EOS-3-31525,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cn2)n(C)n1,SPBUJIAOFLETLB-UHFFFAOYSA-N,3,1,0.473,55,283,434.41,3.147,5,0.392,0.65,1.0,0.5637379206360085,0.4857532040298814,0.5469810156946062,0.4515197724624769,0.5119979782057432
EOS-3-31526,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nn2)cn1,SCCOKBGCRIKXDZ-UHFFFAOYSA-N,3,1,0.321,42,620,440.467,4.302,6,0.38,0.68,1.0,0.014735110684668632,0.1410201494071688,0.5925142210951957,0.6484819409224865,0.3491878555273799
EOS-3-31527,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4cccnc4F)ncn3)n12,ACCXYRDLFOXXSB-UHFFFAOYSA-N,3,1,0.427,18,194,432.394,2.938,5,0.377,0.61,0.845,0.7285912548831471,0.5935251182235625,0.5569100815571243,0.5543057364128572,0.6083330477691727
EOS-3-31528,Cc1nc(-c2cnc(CO)cn2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,BXCFNWHHDPJUQG-UHFFFAOYSA-N,3,1,0.433,18,330,441.455,1.856,5,0.398,0.59,1.0,0.3552275375231307,0.16001302172572132,0.09895654855732985,0.07011171269960935,0.1710772051264478
EOS-3-31529,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)nc1,UQBVLSVCDISBLC-UHFFFAOYSA-N,3,1,0.518,16,921,447.861,4.323,5,0.37,0.7,1.0,0.857617709546981,0.7547375094236173,0.7117915153176616,0.6862021108902748,0.7525872112946337
EOS-3-31530,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc(-c2ncn(C)n2)n1,PTHXALBEUNKUAS-UHFFFAOYSA-N,3,1,0.457,7,185,450.85,2.013,5,0.378,0.6,0.784,0.2934600095949558,0.35811459118634775,0.08206257281886094,0.05881193886642451,0.19811227811664725
EOS-3-31531,Cc1c(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)nc2)cnn1C,VRHUUFGUZQRYDW-UHFFFAOYSA-N,3,1,0.432,92,69,448.437,3.807,5,0.39,0.69,1.0,0.3621496127749983,0.3484082653690631,0.6690425604824892,0.5243214995545199,0.47598048454526765
EOS-3-31532,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)ncn1,QAJKNUDQDXNYPN-UHFFFAOYSA-N,3,1,0.506,24,486,430.859,3.579,5,0.39,0.64,1.0,0.49179288602563226,0.5313206771297375,0.40998732095127133,0.38858714275923517,0.4554220067164691
EOS-3-31533,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4nnc5ccc(Cl)cc5n4)n23)cc1,XBILGCMBSSRONH-UHFFFAOYSA-N,3,1,0.329,3,118,454.856,4.651,6,0.384,0.7,0.971,0.282442944280721,0.472508738263313,0.5861661298060448,0.7714430128161195,0.5281402062915496
EOS-3-31534,Fc1cc(-c2cnc(-c3nnc4cncc(-c5cc(-c6cnccn6)ncn5)n34)cn2)ccn1,QSTONNCBXZCHSK-UHFFFAOYSA-N,3,1,0.272,86,513,449.413,2.696,6,0.37,0.6,0.998,0.1844201905284079,0.24818381193886643,0.2885168939757385,0.3089233088890412,0.25751105133301355
EOS-3-31535,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,WLEIFKKYHDDOPM-UHFFFAOYSA-N,3,1,0.44,2,422,451.824,4.154,5,0.396,0.66,1.0,0.8248492221232266,0.8130097320265918,0.8691659241998492,0.8838496333356178,0.8477186279213214
EOS-3-31536,Cc1nccc(CCOc2cncc3nnc(-c4cccc(-c5nnc(C)s5)c4)n23)n1,ACPGLIJHLBALTM-UHFFFAOYSA-N,3,1,0.518,15,628,430.497,3.338,5,0.404,0.63,1.0,0.5721249400315263,0.4725173051881297,0.060979370845041465,0.043819820437255845,0.2873603591254883
EOS-3-31537,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1-c1ccc(Cl)cn1,DEZWYZBMXNDQPO-UHFFFAOYSA-N,3,1,0.402,46,564,454.828,3.492,5,0.401,0.62,1.0,0.48675553423343154,0.4638304434240285,0.6613408950723049,0.7029504489068604,0.5787193304091564
EOS-3-31538,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(CF)c4F)n23)nc1,STPBDJBUTFZQJA-UHFFFAOYSA-N,3,1,0.419,46,223,451.412,3.914,5,0.389,0.64,1.0,0.6829723802343911,0.5888218764992118,0.8016242889452402,0.7407134534987321,0.7035329997943938
EOS-3-31539,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)nc(C)n5)ccn4)n23)cc1,ZTOZZDOKWBVPQV-UHFFFAOYSA-N,3,1,0.469,89,398,480.532,3.589,5,0.375,0.76,1.0,0.45534918785552736,0.1336183263655678,0.21281097937084503,0.08307346994722774,0.221212990884792
EOS-3-31540,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)o1,QEVYBDBUIGDTOL-UHFFFAOYSA-N,3,1,0.506,87,307,433.859,3.82,5,0.398,0.65,1.0,0.637456308683435,0.5980827222260298,0.42477383318483997,0.4135682955246385,0.5184702899047358
EOS-3-31541,Cc1cnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)s2)cn1,DUCNXBSHUYNJIL-UHFFFAOYSA-N,3,1,0.333,86,513,451.479,2.927,6,0.394,0.62,0.996,0.03774587074223837,0.11977417586183263,0.040007538893838665,0.04653553560413954,0.0610157802755123
EOS-3-31542,Cc1ncc(-c2ncc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)s2)nn1,BKXPDDQAIKDHGU-UHFFFAOYSA-N,3,1,0.275,86,892,451.479,2.927,6,0.394,0.62,1.0,0.02991570145980399,0.08845349873209513,0.03072955931738743,0.038893838667671855,0.0469981495442396
EOS-3-31543,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)c1,OSVJXAPZWISYAG-UHFFFAOYSA-N,3,1,0.523,24,486,418.848,3.214,5,0.404,0.71,1.0,0.4340432458364745,0.4952367898019327,0.38851004043588516,0.3821619491467343,0.4249880063052567
EOS-3-31544,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccc6C)cc5)n34)cn2)n1,ZWHQYWBDCGBKFI-UHFFFAOYSA-N,3,1,0.295,38,57,446.474,4.582,6,0.387,0.71,1.0,0.19557432663970942,0.15237989171407032,0.3213796175724762,0.29023027893907205,0.239891028716332
EOS-3-31545,Cc1cnnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)n1,ZRCWQCDKXJORRJ-UHFFFAOYSA-N,3,1,0.321,33,647,478.52,2.419,6,0.374,0.7,0.999,0.10542457679391405,0.05223254060722363,0.014735110684668632,0.01744225892673566,0.04745862175313549
EOS-3-31546,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ncn2)nn1,OGPOKKWWHUQKDJ-UHFFFAOYSA-N,3,1,0.378,46,564,433.382,2.599,5,0.412,0.57,0.27,0.6374648756082517,0.4284062093071071,0.4502347337399767,0.41357686244945513,0.48242067027619767
EOS-3-31547,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4nc(C)ns4)n23)ccc1F,VHCURILPUHQNFQ-UHFFFAOYSA-N,3,1,0.436,26,911,436.476,3.553,5,0.402,0.62,1.0,0.3760794325269001,0.4681481735316291,0.15622644095675417,0.1527311356315537,0.2882962956617093
EOS-3-31548,Cc1[nH]nc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2F)c1F,DCTOIWRLOCLJEB-UHFFFAOYSA-N,3,1,0.51,4,731,462.42,2.841,5,0.396,0.67,0.897,0.6121153450757316,0.4462511137002262,0.5199009663491193,0.4037420327599205,0.4955023644712494
EOS-3-31549,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1,OQUBIMXUPDOVNE-UHFFFAOYSA-N,3,1,0.641,24,524,446.873,4.662,5,0.377,0.7,1.0,0.8666729490781989,0.8809368788979508,0.8016328558700568,0.8243266397094099,0.8433923308889041
EOS-3-31550,Cc1cc(-c2nnc3cncc(OCc4nncc(-c5ccccc5F)n4)n23)ccc1Cl,HLNPCUXFQWDBCY-UHFFFAOYSA-N,3,1,0.483,34,521,447.861,4.323,5,0.396,0.67,1.0,0.8688318141319992,0.9349427729422246,0.6718696456719896,0.7510708656020835,0.8066787745870743
EOS-3-31551,Fc1cnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nc1,NHLJVZHAOAPSIH-UHFFFAOYSA-N,3,1,0.375,93,186,447.437,3.906,6,0.4,0.59,1.0,0.3436279213213625,0.4009492152696868,0.3584401343293811,0.47918237269549724,0.39554991090398195
EOS-3-31552,Clc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,MDRKMNRQHNJZBK-UHFFFAOYSA-N,3,1,0.333,9,38,452.865,4.619,6,0.381,0.71,1.0,0.2961671578370228,0.41957370982112263,0.7326519772462476,0.7664998971969021,0.5537231855253237
EOS-3-31553,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)c1,DSESMBCNGPIDRT-UHFFFAOYSA-N,3,1,0.467,65,349,434.851,2.047,5,0.369,0.63,1.0,0.48422829141251456,0.4504660407100267,0.0820711397436776,0.09833116304571311,0.278774158727983
EOS-3-31554,Fc1cc(-c2nnc3cncc(CCc4cccc(-c5cncnn5)c4)n23)c(F)cc1Cl,MLSZVKXWCJZNIL-UHFFFAOYSA-N,3,1,0.365,45,358,449.852,4.36,5,0.371,0.69,1.0,0.49671886779521623,0.69942944280721,0.8691744911246659,0.9013604276608869,0.7416708073469946
EOS-3-31555,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cn1,OJJMQZDOEWUKKM-UHFFFAOYSA-N,3,1,0.341,82,204,408.425,2.67,5,0.487,0.83,1.0,0.1902799671030087,0.0817541635254609,0.31007127681447466,0.2546347063258173,0.2091850284421904
EOS-3-31556,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)c(F)c2)cn1,BTJUPAYIOMSWEL-UHFFFAOYSA-N,3,1,0.43,92,815,450.865,3.836,5,0.388,0.66,1.0,0.4918014529504489,0.5935336851483791,0.5300699061065041,0.5313035432801042,0.5366771468713591
EOS-3-31557,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cc(F)nc(F)c5)c4)n23)nn1,SOECYSVXSSMIDN-UHFFFAOYSA-N,3,1,0.457,87,132,450.384,3.077,5,0.364,0.63,1.0,0.6859879377698581,0.6895346446439586,0.652594064834487,0.6541104105270372,0.6705567644438353
EOS-3-31558,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)c(F)n5)n34)c2)nc1,LPIGFHLHJIDVFF-UHFFFAOYSA-N,3,1,0.4,54,873,450.384,3.077,5,0.364,0.63,0.912,0.6799739565485573,0.6259766294291002,0.6172212322664656,0.6339610033582346,0.6392832054005895
EOS-3-31559,c1cnnc(-c2ccc(-c3nnc4cncc(-c5cncnc5-n5nccn5)n34)cn2)c1,YZMCWLVLRSNPQD-UHFFFAOYSA-N,3,1,0.253,99,719,420.4,1.681,6,0.414,0.62,0.813,0.02522102666027003,0.031723322596120894,0.058983277362757866,0.07615139469536016,0.048019755328627234
EOS-3-31560,Cc1nc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)ccc1F,CWWDHILMPHZJIM-UHFFFAOYSA-N,3,1,0.529,1,92,430.418,4.414,5,0.384,0.74,1.0,0.6261051333013501,0.65055513672812,0.8385648687547118,0.8012987458022068,0.7291309711465972
EOS-3-31561,Cc1ccc(F)cc1COc1cncc2nnc(-c3cncc(-c4cccnc4F)c3)n12,IWTZQVBVONJKQF-UHFFFAOYSA-N,3,1,0.494,97,884,430.418,4.414,5,0.384,0.74,1.0,0.8064646014666575,0.771768555959153,0.8965115482146528,0.8678980193269824,0.8356606812418615
EOS-3-31562,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5noc(C)n5)cn4)n23)c(F)n1,WIEXBDSMZUMRMC-UHFFFAOYSA-N,3,1,0.418,51,48,419.38,2.361,5,0.391,0.73,1.0,0.5375402645466384,0.5732472071825098,0.06910938249605922,0.05045918717017339,0.30758901034884517
EOS-3-31563,c1cc(-c2ccnnc2)cc(-c2nnc3cncc(OCc4ncn(-c5ccncn5)n4)n23)c1,QAEGCOZVEKXCIK-UHFFFAOYSA-N,3,1,0.39,71,415,449.438,2.198,6,0.372,0.6,1.0,0.17035329997943938,0.160021588650538,0.14404427386745253,0.14268213282160236,0.15427532382975806
EOS-3-31564,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,CXDZDPVVSKQWTR-UHFFFAOYSA-N,3,1,0.494,16,55,417.86,3.819,5,0.404,0.74,1.0,0.537548831471455,0.5132615996162018,0.7090500993763279,0.6804108697142074,0.6100678500445481
EOS-3-31565,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4F)n23)cn1,MWZUCEJQULJBCL-UHFFFAOYSA-N,3,1,0.314,42,106,437.438,4.653,6,0.399,0.72,0.989,0.2796672606401206,0.2838307861010212,0.6854824892056748,0.6918734151189089,0.48521348776643136
EOS-3-31566,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)nc1,PTVPNELQXDSCEE-UHFFFAOYSA-N,3,1,0.29,94,892,434.488,4.434,6,0.405,0.69,0.999,0.09775717908299637,0.12696182578301693,0.35101261051333016,0.4070145980398876,0.24568655335480777
EOS-3-31567,Cc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nn1,HLZNCQMMIRUPSE-UHFFFAOYSA-N,3,1,0.511,37,141,461.888,4.366,5,0.371,0.68,1.0,0.7344938660818313,0.8247035844013433,0.6470512644781029,0.6628915084641217,0.7172850558563497
EOS-3-31568,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(F)c1F,MBCYQNXVQDKQSE-UHFFFAOYSA-N,3,1,0.456,36,208,454.828,3.492,5,0.401,0.61,1.0,0.597894249880063,0.6555153861969707,0.735222054691248,0.7328404495922144,0.680368035090124
EOS-3-31569,Cc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nccs1,SKPWPRKLXFYMMO-UHFFFAOYSA-N,3,1,0.462,18,904,433.472,3.774,5,0.402,0.64,1.0,0.6616407374408882,0.6216846000959496,0.29927695154547324,0.2753580974573367,0.4644900966349119
EOS-3-31570,N#Cc1ccccc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,GHHAYLVJWCDUMU-UHFFFAOYSA-N,3,1,0.578,1,347,438.878,4.957,5,0.385,0.79,0.998,0.8920910150092523,0.9650469467479953,0.9065605510246042,0.9171835377972722,0.9202205126447809
EOS-3-31571,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nccnn6)ccn5)n34)cc2)c1,LYXDWFFSNFPFPY-UHFFFAOYSA-N,3,1,0.511,81,117,460.461,3.074,6,0.365,0.61,1.0,0.49414879035021586,0.38188780755260093,0.29573024467137277,0.26664553491878557,0.3596030943732438
EOS-3-31572,N#Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c(F)c1,NHCNXAAKMWCYJP-UHFFFAOYSA-N,3,1,0.288,42,957,460.436,3.642,6,0.391,0.64,0.891,0.2067284627510109,0.2786649304365705,0.6021177438146803,0.6279213213624837,0.42885811459118633
EOS-3-31573,Fc1cc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccn1,XMPIDDWTXRDOOV-UHFFFAOYSA-N,3,1,0.556,4,539,439.863,4.076,5,0.381,0.71,1.0,0.7007316153793435,0.8491792886025632,0.42815776848742376,0.5607309300253581,0.6346999006236722
EOS-3-31574,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)cn5)cn4)n23)cc1,IFVQPOFFIQXUOS-UHFFFAOYSA-N,3,1,0.518,97,946,413.416,3.67,5,0.434,0.77,1.0,0.9052326776780207,0.8424199849222124,0.5400932081420053,0.4975841272016997,0.6963324994859845
EOS-3-31576,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)o1,RERGGSKBKGEOCL-UHFFFAOYSA-N,3,1,0.535,97,655,436.834,4.521,5,0.374,0.73,1.0,0.8512524844081968,0.7089901309026112,0.7995767939140566,0.7535981084230005,0.7783543794119663
EOS-3-31577,Cc1nocc1-c1nc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)ccc1F,YHEHKNJQHHIONV-UHFFFAOYSA-N,3,1,0.548,34,10,438.369,4.146,5,0.407,0.69,1.0,0.620305325200466,0.7547460763484339,0.7867264066890549,0.7760777191419368,0.7344638818449729
EOS-3-31578,Cc1cnnc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)n1,PFQTZVPKOKQTTD-UHFFFAOYSA-N,3,1,0.389,46,564,449.837,3.113,5,0.398,0.59,1.0,0.6889692276060585,0.5888304434240285,0.417217805496539,0.4451802480981427,0.5350494311561922
EOS-3-31579,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)ncn2)nc1,IHDNKVZWMOBQFH-UHFFFAOYSA-N,3,1,0.394,46,842,449.837,3.113,5,0.398,0.59,0.799,0.5863717360016448,0.545233363032006,0.28852546090055514,0.32743643341786033,0.4368917483380166
EOS-3-31580,Cc1nc(-c2nnc3cncc(OCc4cc(C#N)ncn4)n23)ccc1-c1cnsc1,QXWMHLLJGARJNI-UHFFFAOYSA-N,3,1,0.381,7,690,427.453,2.859,5,0.416,0.61,0.713,0.3828815708313344,0.3244380097320266,0.25526009183743403,0.20163970940991022,0.2910548454526763
EOS-3-31581,COc1ccc(-c2ncc(Cc3cncc4nnc(-c5ccc(C)nc5)n34)s2)cn1,LVOAMNUEXMDBHF-UHFFFAOYSA-N,3,1,0.337,85,290,415.482,3.613,5,0.433,0.79,1.0,0.14855904324583646,0.17204098416832295,0.18838667671852513,0.11603042971694881,0.15625428346240833
EOS-3-31582,Cc1nc(C(F)F)c(-c2nnc3cncc(-c4ccc(-c5nncn5C)c(F)c4)n23)n1C,WBTCETKPNKSJPX-UHFFFAOYSA-N,3,1,0.298,50,542,439.405,3.372,5,0.426,0.57,0.994,0.17872318552532382,0.29933692001918993,0.3584487012541978,0.3629463367829484,0.29986378589541496
EOS-3-31583,CCc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nc2)n[nH]1,NXPUSGWLGJYZGP-UHFFFAOYSA-N,3,1,0.299,38,983,446.478,3.658,6,0.426,0.59,1.0,0.1569032280172709,0.14845624014803646,0.17555342334315674,0.17961414570625728,0.16513175930368035
EOS-3-31584,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cc(F)ncc5F)n4)n23)nc1,BDQQNPFXFHPWCV-UHFFFAOYSA-N,3,1,0.266,99,286,459.384,1.298,6,0.354,0.61,0.996,0.02314783085463642,0.16780035638407237,0.05333767390857378,0.09422760605852923,0.08462836680145294
EOS-3-31585,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4Cl)n23)cc1F,JJZUOTMJCGBMFK-UHFFFAOYSA-N,3,1,0.337,96,648,476.874,4.812,5,0.402,0.78,1.0,0.33672297991912825,0.46383901034884517,0.8798060448221506,0.8893924336920019,0.6424401171955315
EOS-3-31586,Clc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ccnnc5)nn4)n23)cc1,DMSFMAGCZQOWDK-UHFFFAOYSA-N,3,1,0.286,10,356,454.845,2.334,6,0.39,0.56,1.0,0.0013707079706668495,0.07816462202727709,0.13491193201288465,0.27225687067370297,0.12167603317113289
EOS-3-31587,Fc1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1-c1cnccn1,DAJAWHMUVYFFHG-UHFFFAOYSA-N,3,1,0.506,73,490,465.851,4.196,5,0.371,0.68,1.0,0.9359194023713248,0.937795558906175,0.8053337673908574,0.8384877664313618,0.8793841237749298
EOS-3-31588,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2)n(C)n1,LGZVMYMPAJMQME-UHFFFAOYSA-N,3,1,0.573,15,889,445.914,4.17,5,0.39,0.67,1.0,0.7101209649784114,0.6943492563909259,0.5300784730313207,0.5009252278802001,0.6088684805702146
EOS-3-31589,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c(Cl)cn1,DAGIHZYRLAHDOW-UHFFFAOYSA-N,3,1,0.4,46,915,455.269,2.658,5,0.394,0.57,1.0,0.46205708998697825,0.5132701665410184,0.17235796038653964,0.3211140429031595,0.367199814954424
EOS-3-31590,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)cc1,XFZAWZRTPRVTAU-UHFFFAOYSA-N,3,1,0.268,98,882,463.509,3.236,6,0.382,0.66,1.0,0.12648207799328354,0.04859159756013981,0.0332396682886711,0.03126070865602083,0.05989351312452881
EOS-3-31591,OCc1cccc(COc2cncc3nnc(-c4cnc(Cl)c(-c5cnccn5)c4)n23)n1,NQCYFHPDRNSXEN-UHFFFAOYSA-N,3,1,0.457,7,85,446.858,2.763,5,0.392,0.65,1.0,0.5043434308820506,0.6308512096497841,0.4133284216297718,0.39473819477760264,0.4858153142348023
EOS-3-31592,Fc1cnc(-c2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)s2)nc1,DKULROVNXDMHHH-UHFFFAOYSA-N,3,1,0.309,94,342,454.454,3.363,6,0.395,0.61,0.396,0.19292714687135906,0.2945051744225893,0.06489445548625865,0.14036049619628538,0.1731718182441231
EOS-3-31593,FC(F)c1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,QSILIRFWOYFHAE-UHFFFAOYSA-N,3,1,0.449,18,207,446.421,3.597,5,0.374,0.63,1.0,0.6552412446028374,0.5732557741073264,0.6690511274073059,0.5923857172229456,0.6224834658351038
EOS-3-31594,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6c[nH]c(C#N)n6)nc5)n34)ccn2)n1,VOFNXRGCGOPQMF-UHFFFAOYSA-N,3,1,0.257,99,286,447.426,1.701,6,0.42,0.57,0.989,0.13484339661435132,0.107489205674731,0.0797837708176273,0.08657734219724487,0.10217342882598862
EOS-3-31595,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cc(F)n5)n34)ccn2)nn1,WWHLCMHABDYQGX-UHFFFAOYSA-N,3,1,0.484,58,241,462.876,3.761,5,0.351,0.7,0.942,0.713067987115345,0.7967754094990063,0.4431327530669591,0.4608834212870948,0.6034648927421012
EOS-3-31596,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)s4)n23)cc1Cl,CHCGGCIJWVMLKF-UHFFFAOYSA-N,3,1,0.517,4,677,446.883,3.809,5,0.4,0.67,1.0,0.6121239120005483,0.7760177506682201,0.5057912411760674,0.5607394969501748,0.6136681001987526
EOS-3-31597,c1ncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccsc5)n34)nc2)cn1,IQGCGXPJRHYSTP-UHFFFAOYSA-N,3,1,0.256,86,165,435.476,3.829,6,0.411,0.63,0.983,0.07308443561099308,0.08176273045027757,0.24116750051401548,0.29321156877527244,0.17230655883763962
EOS-3-31599,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nccs5)n34)c2)nn1,BWZMZBSKRGNQAW-UHFFFAOYSA-N,3,1,0.523,18,88,420.433,2.86,5,0.413,0.68,0.947,0.5247926804194366,0.437487149612775,0.1440528407922692,0.16314851620862175,0.31737029675827566
EOS-3-31600,Clc1ccc(-c2nnc3cncc(-c4nccnc4OCc4cccc(Cl)n4)n23)cc1,XGCYFZVKTDCFEG-UHFFFAOYSA-N,3,1,0.398,96,31,450.289,4.529,5,0.364,0.75,1.0,0.5375573983962717,0.7630388595709684,0.5861746967308615,0.697416215475293,0.6460467925433486
EOS-3-31601,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)c(Cl)cn1,YGQQJJNVLARIQB-UHFFFAOYSA-N,3,1,0.483,97,183,450.289,4.529,5,0.364,0.75,1.0,0.7130765540401618,0.7676478651223357,0.7972380234391063,0.8304091563292441,0.777092899732712
EOS-3-31602,c1cnc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccnc5)n4)n23)nc1,KZKKIARGYAUVRL-UHFFFAOYSA-N,3,1,0.225,86,953,421.388,1.076,6,0.402,0.63,0.999,0.0011822356247001577,0.006733602905900898,0.006245288191350833,0.006485162086217531,0.005161572202042355
EOS-3-31603,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccnc(CF)c5)ncn4)n23)cn1,VMLUNCGQSSYBAV-UHFFFAOYSA-N,3,1,0.457,46,238,439.414,2.958,5,0.392,0.6,0.353,0.522179768350353,0.3581231581111644,0.5232763347268864,0.4358165992735248,0.4598489651154822
EOS-3-31604,Cc1nc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1nccn1C,BXKLMYYVSYLJMC-UHFFFAOYSA-N,3,1,0.385,46,717,450.865,3.662,5,0.377,0.64,1.0,0.6647248303748886,0.5685868000822425,0.47124083339044615,0.45152833938729353,0.5390202008087177
EOS-3-31605,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4F)n23)cn1,SYJNMUIOSHKXSK-UHFFFAOYSA-N,3,1,0.273,39,972,468.431,3.384,6,0.387,0.63,0.982,0.2039613460352272,0.23261770954698102,0.37368926050304985,0.45466383387019393,0.316233037488863
EOS-3-31606,CC(F)(F)c1ncc(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4F)n23)cn1,RHALDCJQQCQPBP-UHFFFAOYSA-N,3,1,0.323,82,478,439.426,4.623,5,0.406,0.68,0.999,0.28784867384003837,0.455075046261394,0.8385734356795285,0.7485607566307998,0.5825144781029401
EOS-3-31607,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)cn1,XEJDPDYEENHCFQ-UHFFFAOYSA-N,3,1,0.366,30,93,445.461,5.116,6,0.351,0.84,1.0,0.2664056610239188,0.40560962236995407,0.7867349736138716,0.8013073127270235,0.565014392433692
EOS-3-31608,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccnc(F)c6)nc5)n34)n2)n1,MLGRIROPEQHZNQ-UHFFFAOYSA-N,3,1,0.31,99,601,452.417,2.035,6,0.365,0.6,1.0,0.12092214378726612,0.18485710369405797,0.07340997875402645,0.09624083339044616,0.11885751490644918
EOS-3-31609,Cc1nc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4cccc(C#N)n4)nn3)n12,KAGBUNULSZAXKH-UHFFFAOYSA-N,3,1,0.381,53,670,456.857,2.846,5,0.387,0.6,0.386,0.5804091563292441,0.5888390103488452,0.15623500788157083,0.19056267562195875,0.3790114625454047
EOS-3-31610,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ncc(Cl)cn5)n4)n23)cc1,AVELCCQUFARQRU-UHFFFAOYSA-N,3,1,0.312,98,882,456.861,2.278,6,0.392,0.57,1.0,0.025229593585086696,0.14470392707833596,0.04961106161332328,0.08483825645946132,0.07609570968405181
EOS-3-31611,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)nc5)cn4)n23)cc1,ZXKKSHYXVWIWAZ-UHFFFAOYSA-N,3,1,0.556,73,401,451.277,3.924,5,0.371,0.66,1.0,0.8274878349667604,0.9434668631348091,0.5989222808580632,0.6598673840038379,0.7574360907408677
EOS-3-31612,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cnn2)nn1,COGMNBHCMWSPLZ-UHFFFAOYSA-N,3,1,0.495,53,778,429.419,2.502,5,0.401,0.59,0.989,0.6492101295319033,0.6259851963539168,0.20572613254746078,0.21070351586594477,0.42290624357480644
EOS-3-31613,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)cnn2)nn1,SOESOMNKLWHNAB-UHFFFAOYSA-N,3,1,0.479,53,778,429.419,2.502,5,0.401,0.59,0.999,0.6582225344390378,0.6359485299157015,0.2660201494071688,0.26047734905078473,0.4551671407031732
EOS-3-31614,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(F)cn5)cn4)n23)nc1,ODYZOPPFAKQATI-UHFFFAOYSA-N,3,1,0.352,33,53,484.455,2.044,6,0.364,0.8,1.0,0.3962888081694195,0.2172657802755123,0.05535090124049071,0.065014392433692,0.18347997052977863
EOS-3-31615,Cc1ccc(-c2nnc3cncc(Cn4ccc(-c5nonc5-c5ncc(F)cn5)n4)n23)cn1,OBLKDUXJCNSLIO-UHFFFAOYSA-N,3,1,0.33,86,260,455.417,2.386,6,0.381,0.59,1.0,0.19846994722774314,0.25307552600918376,0.04445377287368926,0.060396819957508056,0.13909901651703105
EOS-3-31616,Cc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)nc1,IAJSVADAQCRLTD-UHFFFAOYSA-N,3,1,0.512,13,145,432.846,5.142,5,0.391,0.78,1.0,0.7982060859433897,0.8130182989514084,0.8282674251250771,0.8324052498115276,0.8179742649578507
EOS-3-31617,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c2)cn1,AZURBLCSRIFOGO-UHFFFAOYSA-N,3,1,0.413,92,544,419.836,2.609,5,0.4,0.66,1.0,0.244996915907066,0.31970906723322595,0.33586628743746144,0.31193886642450824,0.3031277842505654
EOS-3-31618,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cc(C)nn6C)nc5)n34)cn2)n1,QWXUCQIUKOHHPI-UHFFFAOYSA-N,3,1,0.293,70,664,448.494,3.451,6,0.407,0.6,0.993,0.008763964087451169,0.052241107532040296,0.1755619902679734,0.12921492700980056,0.09144549722431636
EOS-3-31619,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,RVJSMFWQMUPHPV-UHFFFAOYSA-N,3,1,0.522,26,265,449.877,4.001,5,0.389,0.62,1.0,0.7255414296484134,0.6505637036529367,0.7546689740250839,0.7485693235556165,0.7198358577205126
EOS-3-31620,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)nc4)n23)cn1,PFGWAIAWXLDBDD-UHFFFAOYSA-N,3,1,0.364,32,20,452.478,4.573,6,0.387,0.72,0.999,0.10769481187033103,0.30939448975395795,0.579818038516894,0.6457405249811528,0.41066196628058393
EOS-3-31622,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4cnnc(-c5ncccn5)c4)n23)nc1,OPWGSPPOYULPJQ-UHFFFAOYSA-N,3,1,0.314,80,34,449.438,2.626,6,0.386,0.59,0.347,0.37834110067850046,0.14471249400315264,0.14695702830511959,0.12059660064423275,0.19765180590775136
EOS-3-31623,CCn1ccc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,MQWCBGZEWJPDRW-UHFFFAOYSA-N,3,1,0.529,4,32,432.875,3.697,5,0.403,0.63,1.0,0.5530978000137071,0.7043211568775273,0.19865841957370983,0.2636985127818518,0.429943972311699
EOS-3-31624,Clc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)n1,XMSWYCRKRYBWOZ-UHFFFAOYSA-N,3,1,0.308,32,957,463.892,4.421,6,0.353,0.74,1.0,0.1984785141525598,0.2890908779384552,0.4918871221986156,0.5509303680350901,0.38259672058118016
EOS-3-31625,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5nccnn5)c4)n23)nc1,BMQGRNCWKUSZIR-UHFFFAOYSA-N,3,1,0.42,46,915,417.82,2.666,5,0.425,0.62,1.0,0.6737543691316565,0.7089986978274279,0.2519875265574669,0.3057878144061408,0.485132101980673
EOS-3-31626,COC(F)(F)c1ccc(-c2nnc3cncc(Cc4cc(-c5cc(F)ccn5)ncn4)n23)cn1,HUAYDDBVXBNCOI-UHFFFAOYSA-N,3,1,0.363,85,290,464.411,3.464,5,0.376,0.65,1.0,0.4744705640463299,0.6216931670207663,0.8847063258172846,0.792449112466589,0.6933297923377424
EOS-3-31627,O=C(c1ccc(-c2cncc3nnc(-c4ccncc4Cl)n23)cn1)N1CCc2ccccc2C1,HOAUGHHSRKEOBO-UHFFFAOYSA-N,3,1,0.382,52,582,467.92,4.1,6,0.397,0.66,1.0,0.08338187924062779,0.18918340072647521,0.13815022959358508,0.32411246658899323,0.18370699403742033
EOS-3-31628,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)cc1,HFXMHEAXUHWXDB-UHFFFAOYSA-N,3,1,0.436,71,614,463.465,2.413,6,0.362,0.6,1.0,0.42760091837434033,0.1891919676512919,0.1235350558563498,0.11125008566924817,0.21289450688780756
EOS-3-31629,Cc1nc(-c2ccccc2F)ncc1-c1nnc2cncc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,JQTFFZPATOWPLK-UHFFFAOYSA-N,3,1,0.33,62,341,483.482,4.394,6,0.398,0.83,1.0,0.2370725104516483,0.3197176341580426,0.3921424165581523,0.5146066068124187,0.36588479199506546
EOS-3-31630,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnn5)n34)nc(C)n2)nc1,FVEMFDOBOSVFCL-UHFFFAOYSA-N,3,1,0.43,31,330,425.456,2.672,5,0.405,0.6,1.0,0.41811733260228906,0.13728497018710165,0.060987937769858135,0.047794873552189705,0.16604627852785964
EOS-3-31631,Cc1nc(Cl)cc(-c2cnnc(COc3cncc4nnc(-c5cncn5C)n34)n2)n1,BGNDKUGKEZEFDT-UHFFFAOYSA-N,3,1,0.333,31,105,435.839,1.708,5,0.375,0.63,1.0,0.21224556233294498,0.18486567061887466,0.02851072578987047,0.03444760468782126,0.11501739085737783
EOS-3-31632,Clc1cc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)ccn1,QFOYQRNUCXXSIL-UHFFFAOYSA-N,3,1,0.479,87,142,430.859,3.313,5,0.378,0.63,1.0,0.7224659036392297,0.7588324994859845,0.47805153861969707,0.49759269412651636,0.6142356589678569
EOS-3-31633,Fc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c(F)cn2)n1,RFXCPCVXNMHKTD-UHFFFAOYSA-N,3,1,0.396,46,915,453.8,2.944,5,0.396,0.56,1.0,0.8142519361250086,0.8319169350969776,0.485222054691248,0.5705229250908094,0.6754784627510109
EOS-3-31634,Fc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)c1,ORMCJAQMUREZOC-UHFFFAOYSA-N,3,1,0.479,87,307,447.861,4.057,5,0.387,0.64,1.0,0.8195719964361593,0.8319255020217943,0.6748680693578233,0.722020423548763,0.7620964978411349
EOS-3-31635,CCc1nc(-c2nnc3cncc(OCc4cncs4)n23)ccc1-c1cnc(C)c(C)n1,BDDVNMGJGYRPDN-UHFFFAOYSA-N,3,1,0.461,31,690,444.524,3.858,5,0.389,0.64,0.976,0.2934685765197725,0.15238845863888698,0.04961962853813995,0.027542663285587007,0.1307548317455966
EOS-3-31636,Cc1cnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)cn5)n4)n23)cn1,ZJNFGLIRMPYZMF-UHFFFAOYSA-N,3,1,0.394,18,128,446.421,3.246,5,0.392,0.59,0.844,0.655249811527654,0.5980912891508464,0.3324395175107943,0.34658351038311286,0.4830910321431019
EOS-3-31637,COc1ccccc1Oc1cncc2nnc(-c3cc(-c4cccc(C#N)c4)ncn3)n12,HGJXMAMAJPFSJO-UHFFFAOYSA-N,3,1,0.366,44,616,421.42,3.921,5,0.42,0.69,0.944,0.5893958604619286,0.32444657665684323,0.6827582071139744,0.5831591391953944,0.5449399458570352
EOS-3-31638,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)on1,UAHZHRSOXHDDNS-UHFFFAOYSA-N,3,1,0.291,86,723,421.424,3.304,6,0.426,0.63,0.998,0.07923548762936057,0.06394352683160853,0.21969021999862928,0.22488177643753,0.1469377527242821
EOS-3-31639,c1ccc(-c2ncncc2-c2nnc3cncc(-c4nc(-c5ncccn5)cs4)n23)nc1,WORQRITVVGZQTF-UHFFFAOYSA-N,3,1,0.278,76,557,436.464,3.224,6,0.41,0.61,1.0,0.040838530601055446,0.09751730518812966,0.0477434720032897,0.07012027962442602,0.0640548968542252
EOS-3-31640,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cn4)n23)c(F)c1,DKKBJHNRUVMSSK-UHFFFAOYSA-N,3,1,0.378,13,412,421.823,4.172,5,0.433,0.69,1.0,0.7224744705640463,0.6943578233157426,0.7845932424097046,0.7809780001370707,0.745600884106641
EOS-3-31641,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)ccc1F,BJIVIDMYJBCLFN-UHFFFAOYSA-N,3,1,0.483,24,199,448.849,3.718,5,0.4,0.62,1.0,0.679982523473374,0.664973271194572,0.5167654718662189,0.497601261051333,0.5898306318963744
EOS-3-31642,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2F)nn1,OGNYCDVHZKEHHC-UHFFFAOYSA-N,3,1,0.506,13,145,451.824,4.676,5,0.392,0.68,1.0,0.8442190391337125,0.9033822219176204,0.8208570351586595,0.8496847371667466,0.8545357583441847
EOS-3-31643,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)n1,DLFJJUHBCSNKRF-UHFFFAOYSA-N,3,1,0.612,37,619,416.42,2.742,5,0.42,0.7,1.0,0.7466331985470496,0.6994380097320266,0.3510211774381468,0.3306233294496608,0.5319289287917209
EOS-3-31644,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1F,FTMJTRSSWFGIHH-UHFFFAOYSA-N,3,1,0.593,37,361,416.42,2.742,5,0.42,0.7,1.0,0.7193646768555959,0.5888475772736619,0.4817181824412309,0.43582516619834144,0.5564389006922075
EOS-3-31645,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C)c(F)c5)n34)ncn2)o1,TXWLSADQWPGPJF-UHFFFAOYSA-N,3,1,0.489,4,463,418.392,2.966,5,0.424,0.68,1.0,0.5776934411623603,0.5638749914330752,0.2625505448564183,0.22489034336234665,0.40725233020355006
EOS-3-31646,CCNCCc1nc(COc2cncc3nnc(-c4ccc(C(=O)NCC)cn4)n23)ccc1F,QMPJQWXZTAFFBO-UHFFFAOYSA-N,3,1,0.368,63,108,464.505,2.201,4,0.343,0.69,0.756,0.16505894044273867,0.026411829209786856,0.05334624083339044,0.02223973682406963,0.06676418682749641
EOS-3-31647,c1ccc(-c2nnccc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)cc1,UZOWLEHXDYCUTE-UHFFFAOYSA-N,3,1,0.353,69,220,428.459,4.372,6,0.411,0.66,1.0,0.1264906449181002,0.10078987046809677,0.5129960249468851,0.570531492015626,0.32770200808717703
EOS-3-31648,Cn1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)n1,IPSFCXIFDHVYDF-UHFFFAOYSA-N,3,1,0.438,53,466,417.408,2.137,5,0.413,0.67,0.998,0.385108971283668,0.3144661092454253,0.20926427249674456,0.20758515523267768,0.2791061270646289
EOS-3-31649,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nc5C)nc(F)n4)n23)nn1,QQEKGIYLOQRVAA-UHFFFAOYSA-N,3,1,0.409,53,105,432.423,2.107,5,0.384,0.62,0.184,0.32157665684325953,0.2890994448632719,0.07112260982797615,0.04258618326365568,0.18109622369954081
EOS-3-31650,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)ncc1Cl,YJWITQGZNBKXRI-UHFFFAOYSA-N,3,1,0.435,46,242,452.812,3.549,5,0.373,0.64,1.0,0.6889777945308752,0.7414930436570488,0.620176821328216,0.6514118292097869,0.6755148721814818
EOS-3-31651,c1c[nH]c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)c1,CJLIEOTZYWEZBU-UHFFFAOYSA-N,3,1,0.267,94,170,417.436,3.7,6,0.466,0.69,0.828,0.11572202042354876,0.09752587211294633,0.4887173600164485,0.49137310670961554,0.29833458981563976
EOS-3-31652,Cc1nc(C#Cc2ncc(COc3cncc4nnc(-c5ccccc5F)n34)cn2)c(C)s1,KHRQNWJLJKNRGS-UHFFFAOYSA-N,3,1,0.512,16,253,457.494,3.773,5,0.379,0.68,1.0,0.6582311013638544,0.679725515728874,0.33244808443561097,0.2604859159756014,0.4827226543759852
EOS-3-31653,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)cs1,PTFSHAZREFIFSV-UHFFFAOYSA-N,3,1,0.446,2,606,433.472,4.04,5,0.413,0.69,1.0,0.5637464875608251,0.5269601123980536,0.47460763484339663,0.3725584264272497,0.48446816530738124
EOS-3-31654,Clc1ccnc(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)n1,CYODHQNTHLHNCH-UHFFFAOYSA-N,3,1,0.461,97,666,421.873,3.937,5,0.397,0.72,1.0,0.5555051058871907,0.6217017339455829,0.36961140429031597,0.419899252964156,0.4916793742718114
EOS-3-31655,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)nc1,QVRRSXDDAKNLHO-UHFFFAOYSA-N,3,1,0.556,75,583,443.898,4.227,5,0.363,0.7,1.0,0.8623809197450483,0.7676564320471524,0.546989582619423,0.5211260365979028,0.6745382427523816
EOS-3-31656,Fc1ccc(F)c(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccccc6F)nc5)n34)nn2)c1,LFGWWYYHGAOPJP-UHFFFAOYSA-N,3,1,0.378,10,783,471.406,3.913,6,0.384,0.67,1.0,0.03250291275443767,0.2481923788636831,0.7066427935028442,0.7969638818449729,0.4460754917414845
EOS-3-31657,COc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)c1,CQJZYUQNQSSXQK-UHFFFAOYSA-N,3,1,0.326,32,371,448.446,3.974,6,0.386,0.64,1.0,0.33182269892399424,0.1720495510931396,0.38478342814063465,0.3338187924062778,0.3056186176410116
EOS-3-31658,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnc4F)n23)cc1,JMOCWXBXGAYLGD-UHFFFAOYSA-N,3,1,0.561,15,353,449.877,4.001,5,0.364,0.67,1.0,0.9506288122815434,0.8809454458227675,0.64986121581797,0.639880748406552,0.7803290555822082
EOS-3-31659,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)cn4)n23)ccc1Cl,DSFNUDIFINANON-UHFFFAOYSA-N,3,1,0.467,16,401,447.861,4.323,5,0.37,0.71,1.0,0.8142605030498252,0.8863083407580015,0.7753409636077033,0.7665084641217189,0.8106045678843122
EOS-3-31661,Cc1c(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)nnn1C,SCIKYJXJRPYZLP-UHFFFAOYSA-N,3,1,0.541,4,10,450.865,3.662,5,0.403,0.63,1.0,0.429802618052224,0.6895432115687753,0.41333698855458845,0.4672315125762456,0.4999785826879583
EOS-3-31662,Clc1ccc(CCOc2cncc3nnc(-c4cnc(Cl)c(-c5cnccn5)c4)n23)nn1,KFOCXYASVVMCPU-UHFFFAOYSA-N,3,1,0.468,87,779,466.292,3.362,5,0.347,0.69,1.0,0.6616493043657049,0.8130268658762251,0.32138818449729284,0.4262387773284902,0.5555757830169282
EOS-3-31663,Cc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnc(C)n5C)cn4)n23)nc1,AZCGZDZBEJEJGI-UHFFFAOYSA-N,3,1,0.293,70,392,459.517,4.328,6,0.387,0.67,0.969,0.10543314371873072,0.04501918991158933,0.3395843328078953,0.26049448290041805,0.18763278733465835
EOS-3-31664,Cn1cncc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ncn3)n12,DPWNCVACXBSKQE-UHFFFAOYSA-N,3,1,0.376,31,194,433.863,2.652,5,0.376,0.65,0.745,0.46206565691179496,0.4374957165375917,0.2304674114179974,0.23986532794188198,0.34247352820231647
EOS-3-31665,Cc1c(F)ccc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)c1F,OWGPIKRFXVNQCQ-UHFFFAOYSA-N,3,1,0.433,59,109,431.406,3.809,5,0.418,0.63,1.0,0.7193732437804126,0.6217103008703996,0.8481084230004797,0.7947878829415393,0.7459949626482079
EOS-3-31666,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4nncn4C)cc3OC(F)F)n12,VLWSMVXOCYBUIJ-UHFFFAOYSA-N,3,1,0.337,61,697,476.447,3.263,5,0.399,0.72,0.998,0.4459684051812761,0.4638475772736618,0.6316136659584676,0.49453430196696596,0.5089909875950929
EOS-3-31667,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5cccnc5)n4)n23)cc1,AXWKDAYCZBWKMZ-UHFFFAOYSA-N,3,1,0.512,40,25,467.518,3.684,6,0.365,0.74,1.0,0.35282023164964704,0.29451374134740593,0.1656928928791721,0.14036906312110206,0.2383489822493318
EOS-3-31668,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)nn2C)ccc1F,BPMIAJXDLGGBPF-UHFFFAOYSA-N,3,1,0.467,95,493,434.5,4.322,5,0.398,0.71,1.0,0.38752484408196836,0.3197262010828593,0.5300870399561374,0.49760982797614967,0.4337369782742787
EOS-3-31669,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cc5)n34)n2)nn1,CCVMBXRYFPUXFB-UHFFFAOYSA-N,3,1,0.348,38,193,460.505,3.723,6,0.391,0.61,1.0,0.137533411006785,0.0748320882735933,0.14406140771708587,0.12060516756904942,0.1192580186416284
EOS-3-31670,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cc5C)ccn4)n23)cn1,RBFHINYCMSHBQU-UHFFFAOYSA-N,3,1,0.489,51,85,428.431,3.373,5,0.42,0.6,1.0,0.5581522856555411,0.5452419299568227,0.39591186347748614,0.30579638133095743,0.4512756151052018
EOS-3-31671,Fc1ncccc1-n1nnc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)n1,YZQMVPSDOJNLKB-UHFFFAOYSA-N,3,1,0.27,10,952,437.402,2.425,6,0.382,0.58,0.532,0.0147436776094853,0.11635597285998218,0.08207970666849428,0.16592419984922213,0.09477588924679597
EOS-3-31672,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)cn2)nc1,JPYIXMSUNCIKDN-UHFFFAOYSA-N,3,1,0.62,59,232,457.856,4.491,5,0.383,0.7,1.0,0.9768950037694469,0.9813155369748475,0.9054382838736207,0.9117949420875883,0.9438609416763759
EOS-3-31673,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ccc2F)ccn1,JKVYSYFASIFANQ-UHFFFAOYSA-N,3,1,0.489,4,677,429.459,3.922,5,0.421,0.66,0.999,0.4694160784044959,0.5177078335960523,0.5633952436433418,0.4640531834692619,0.503643084778288
EOS-3-31674,Fc1cccc(-c2nccc(-c3cncc4nnc(-c5ncncc5-c5cccc(F)c5)n34)n2)c1,KERSESOQUSSMGB-UHFFFAOYSA-N,3,1,0.353,32,192,464.439,4.651,6,0.375,0.73,1.0,0.2987543691316565,0.414921869645672,0.6990610650400932,0.7831625659653211,0.5489749674456857
EOS-3-31675,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)cnc1Cl,YQBJCDDVYDRKAR-UHFFFAOYSA-N,3,1,0.433,7,535,431.847,2.974,5,0.413,0.59,1.0,0.5923171818244123,0.6943663902405592,0.19518881502295937,0.19869268727297648,0.42014126859022677
EOS-3-31676,N#Cc1nnc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)o1,ZDQMOGCSFJWPOB-UHFFFAOYSA-N,3,1,0.402,56,425,454.37,1.46,6,0.38,0.62,1.0,0.4646528682064286,0.45943561099307795,0.01943835240901926,0.01806764443835241,0.24039861901171955
EOS-3-31677,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccnnc4-c4cccc(F)n4)n23)nc1,QBXVTPNLNCMORJ-UHFFFAOYSA-N,3,1,0.297,99,259,451.429,2.64,6,0.372,0.59,0.999,0.25055685011308343,0.23262627647179768,0.1595161400863546,0.20759372215749436,0.21257324720718251
EOS-3-31678,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)ccn1,QOBPRLJRTSLZRY-UHFFFAOYSA-N,3,1,0.303,70,723,451.429,2.64,6,0.372,0.59,1.0,0.1129977383318484,0.19823007333287643,0.2161435131245288,0.2666541018436022,0.19850635665821398
EOS-3-31679,CCOc1ccn2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)nc2n1,AXXXYKHEKLVAHW-UHFFFAOYSA-N,3,1,0.56,90,391,423.383,3.09,5,0.414,0.65,1.0,0.7373552189705983,0.7182167089301624,0.5167740387910356,0.4762867521074635,0.6121581796998149
EOS-3-31680,COc1cc(-c2nnc3cncc(OCc4nccc(-c5ncc(F)cn5)n4)n23)ccc1Cl,VXXGRYRSUMOYHO-UHFFFAOYSA-N,3,1,0.446,73,82,464.848,3.418,5,0.373,0.66,1.0,0.9225635665821397,0.92526214789939,0.4209272839421561,0.40702316496470425,0.6689440408470976
EOS-3-31681,N#Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,IFCJEVWLGSUFET-UHFFFAOYSA-N,3,1,0.56,35,4,454.881,3.79,5,0.356,0.67,1.0,0.8920995819340689,0.9178431910081557,0.6584195737098211,0.6484905078473031,0.7792132136248372
EOS-3-31682,Cc1ccc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)cn5)n34)c2)nc1,XBIVAGLZJQCRMB-UHFFFAOYSA-N,3,1,0.406,14,351,428.883,4.789,5,0.4,0.72,1.0,0.4842368583373312,0.55015934480159,0.6964395860461928,0.6773867452539236,0.6020556336097594
EOS-3-31683,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)s1,PCIGUMSRNGQVSC-UHFFFAOYSA-N,3,1,0.446,72,506,436.888,3.641,5,0.384,0.67,1.0,0.5118309231718182,0.5888561441984785,0.13492049893770133,0.1686741827153725,0.35107043725584264
EOS-3-31684,COc1ncc(-c2cccc(Cl)n2)cc1COc1cncc2nnc(-c3ccc(F)cn3)n12,RRJSRDSOEGUPLX-UHFFFAOYSA-N,3,1,0.385,46,348,463.86,4.023,5,0.348,0.72,1.0,0.7870519498320883,0.6505722705777535,0.5925227880200123,0.5576554040161743,0.6469506031115071
EOS-3-31685,CCn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(OC)n2)cn1,IMYXMQMTWZFMHI-UHFFFAOYSA-N,3,1,0.318,52,295,481.52,3.033,6,0.376,0.8,1.0,0.14856761017065315,0.07484065519840997,0.03460180933452128,0.02654890000685354,0.07113974367760949
EOS-3-31686,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4F)n23)ccc1Cl,NCEFGNYOEXFONE-UHFFFAOYSA-N,3,1,0.649,59,294,450.836,4.759,5,0.359,0.78,1.0,0.9490096634911932,0.9490781988897266,0.9218610787471729,0.9276437529984237,0.9368981735316292
EOS-3-31687,Cc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)cnn4)n23)ccn1,IBTXCAJMCXIFSB-UHFFFAOYSA-N,3,1,0.447,54,873,428.431,3.107,5,0.406,0.61,1.0,0.6552583784524707,0.522333972997053,0.40301384415050373,0.37256699335206633,0.48829329723802345
EOS-3-31688,OCc1cc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)ccc1F,YCECHJUIPCUBTL-UHFFFAOYSA-N,3,1,0.412,2,419,463.86,3.507,5,0.407,0.67,1.0,0.6065468439448976,0.6844801590021246,0.8096429305736413,0.7969724487697896,0.7244105955726132
EOS-3-31689,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)cc2F)cnn1,SPQZLRDKHGEEOH-UHFFFAOYSA-N,3,1,0.612,15,563,432.484,4.379,5,0.396,0.68,1.0,0.9199420875882394,0.9121033513809883,0.5956240148036461,0.5705400589404427,0.7495523781783291
EOS-3-31690,Cc1cc(-c2cccc(CCc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cnn1,WMLDSOMXOWGVAK-UHFFFAOYSA-N,3,1,0.402,62,916,475.556,4.234,6,0.378,0.76,1.0,0.19028853402782536,0.07484922212322664,0.2519960934822836,0.2783993557672538,0.1988833013501473
EOS-3-31691,Fc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)ccc2F)cn1,JOFZJGYJCATOSL-UHFFFAOYSA-N,3,1,0.301,96,315,437.36,4.526,5,0.385,0.69,0.905,0.32679391405661024,0.47698923994243025,0.9578335960523611,0.9533188266739772,0.6787338941813447
EOS-3-31692,Cc1cnc(-c2nc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)ccc2F)cn1,ROCVONUAMLDHEX-UHFFFAOYSA-N,3,1,0.385,31,720,463.864,3.156,5,0.374,0.63,0.667,0.6709358508669728,0.689551778493592,0.20927283942156125,0.2514906449181002,0.4553127784250566
EOS-3-31693,COc1cc(-c2cccc(-c3cncc4nnc(-c5ccccc5Cl)n34)n2)cnn1,ZSQGGFKSSBFXDV-UHFFFAOYSA-N,3,1,0.408,96,140,415.844,3.972,5,0.438,0.72,1.0,0.41812589952710577,0.5638835583578918,0.530095606880954,0.5736412857240765,0.5214365876225071
EOS-3-31694,Cn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cnn2)n1,MHTDXJUMPGWLOQ-UHFFFAOYSA-N,3,1,0.554,36,659,437.826,2.748,5,0.413,0.57,0.843,0.7814406140771709,0.8670670276197656,0.4746162017682133,0.5146151737372353,0.6594347543005963
EOS-3-31695,Cn1cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c(-c2ccc(F)c(F)c2)n1,JCMAKRHPVIOVTM-UHFFFAOYSA-N,3,1,0.307,42,327,467.443,3.989,6,0.387,0.66,1.0,0.1787317524501405,0.31447467617024194,0.6748766362826399,0.680419436639024,0.4621256253855116
EOS-3-31696,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc(-c2csnn2)c1,IFANDDYDLJGGOF-UHFFFAOYSA-N,3,1,0.455,54,915,439.863,4.076,5,0.407,0.63,1.0,0.5248012473442533,0.5596686313480913,0.6748852032074566,0.7407220204235487,0.6250192755808375
EOS-3-31697,Cn1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)n1,HWAITOQXGIJUNG-UHFFFAOYSA-N,3,1,0.489,27,69,434.41,3.498,5,0.404,0.62,1.0,0.4228291412514564,0.46385614419847854,0.602126310739497,0.46406175039407854,0.4882183366458776
EOS-3-31699,N#Cc1cccc(-c2cncc(-c3nnc4cncc(OCCCc5ccncc5)n34)c2)n1,ORJBEYVAPGRKJN-UHFFFAOYSA-N,3,1,0.454,87,393,434.463,3.527,5,0.357,0.67,0.999,0.7814491810019876,0.612363785895415,0.44665375916660954,0.41990781988897263,0.5650936364882462
EOS-3-31700,COc1ncccc1-c1cccc(-c2nnc3cncc(OCCc4cncnn4)n23)c1,NIGHLLTYVCPKTD-UHFFFAOYSA-N,3,1,0.466,15,33,426.44,2.668,5,0.387,0.61,1.0,0.4620742238366116,0.2945223082722226,0.19183058049482557,0.14754814611746966,0.27399381468028233
EOS-3-31701,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)cn1,WDDUBKHJIUWNRE-UHFFFAOYSA-N,3,1,0.275,64,365,460.505,3.897,6,0.381,0.68,0.955,0.08573778356521143,0.028870536632170516,0.03324823521348776,0.05176992666712357,0.04990662051949832
EOS-3-31702,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nc5)cn4)n23)cc1,SNJQNHVRGGFPRV-UHFFFAOYSA-N,3,1,0.467,89,943,482.479,3.254,6,0.351,0.83,1.0,0.57481495442396,0.28910801178808854,0.2589010348845179,0.2666626687684189,0.3473716674662463
EOS-3-31703,CC(C)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccncc5)cn4)n23)cc1,ROPODGCLRQRZCF-UHFFFAOYSA-N,3,1,0.615,89,731,423.48,4.346,5,0.401,0.72,1.0,0.5142382290453019,0.26853025837845246,0.6140857377835652,0.4515369063121102,0.4620977828798575
EOS-3-31704,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)cc1F,YBSOZXVAQDLFKH-UHFFFAOYSA-N,3,1,0.662,59,294,448.408,4.553,5,0.393,0.7,1.0,0.9315245699403742,0.8583373312315811,0.9335463641971078,0.9127458707422383,0.9090385340278254
EOS-3-31705,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)nc5F)ncn4)n23)cn1,AUHUUAGDCMICKR-UHFFFAOYSA-N,3,1,0.452,7,354,433.382,2.599,5,0.412,0.59,1.0,0.6829809471592078,0.6994465766568433,0.3213967514221095,0.28125214173120416,0.49626910424234116
EOS-3-31706,Cn1nncc1-c1cnc(COc2cncc3nnc(-c4ccc(C(O)F)cn4)n23)cn1,TXCVUOZBOVFSFI-UHFFFAOYSA-N,3,1,0.467,7,828,434.395,1.311,5,0.416,0.61,0.999,0.3294410938249606,0.2278887670481804,0.26255911178123503,0.20760228908231101,0.25687281543417173
EOS-3-31707,FCc1cc(-c2cc(-c3nnc4cncc(Cc5ccnc(C(F)(F)F)c5)n34)ccn2)[nH]n1,UGYWZXYXWVEAJH-UHFFFAOYSA-N,3,1,0.336,27,476,454.391,4.051,5,0.403,0.65,1.0,0.3343413748200946,0.35306867246933044,0.9208244808443561,0.8344784456171612,0.6106782434377356
EOS-3-31708,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc(C)cn6C)cc5)n34)nc2)nn1,IUWUXGZDCVXNBO-UHFFFAOYSA-N,3,1,0.293,38,193,459.517,4.328,6,0.387,0.68,1.0,0.10281166472483037,0.06395209375642519,0.31776437529984236,0.25149921184291685,0.18400683640600368
EOS-3-31709,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5nccs5)n4)n23)cc1,WWUZSRCEFRGJEI-UHFFFAOYSA-N,3,1,0.311,98,882,427.457,2.291,6,0.421,0.59,1.0,0.018127612912069085,0.041403947638955524,0.02326776780206977,0.023833184839969844,0.026658128298266054
EOS-3-31710,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)c(F)c1F,DHTMBHBFVNUFJE-UHFFFAOYSA-N,3,1,0.523,57,962,433.393,4.85,5,0.371,0.78,1.0,0.927763689945857,0.8987646494414365,0.9643958604619286,0.9566856281269276,0.9369024569940374
EOS-3-31711,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCc3ccnc(C(F)F)n3)n12,UQSIQJGEAWZEJN-UHFFFAOYSA-N,3,1,0.439,36,638,465.424,2.902,5,0.357,0.71,0.997,0.3343499417449112,0.3334846823384278,0.3885186073607018,0.22489891028716333,0.32031303543280104
EOS-3-31712,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCCc3ncc(C)nc3C)n12,OMQHIJINNUKZLJ-UHFFFAOYSA-N,3,1,0.473,15,771,457.498,2.624,5,0.363,0.63,1.0,0.3712562538551162,0.11059043245836475,0.04621855938592283,0.019892399424302654,0.1369894112809266
EOS-3-31713,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2F)cc1=O,SHDZLEFADCHIOL-UHFFFAOYSA-N,3,1,0.477,13,145,466.835,4.276,5,0.393,0.69,1.0,0.7039870468096772,0.7321465286820643,0.8953550133644027,0.9037420327599205,0.8088076554040161
EOS-3-31714,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccnc(F)c5)n4)n23)cn1,UFGFBCZMROTZGP-UHFFFAOYSA-N,3,1,0.506,4,390,431.406,3.809,5,0.391,0.64,1.0,0.6344835857720512,0.6943749571653759,0.727434720032897,0.6715184017545062,0.6819529161812075
EOS-3-31715,Cc1c(F)cncc1-c1cc(-c2nnc3cncc(OCCc4cccs4)n23)ncn1,LVVGDKJVGZBACQ-UHFFFAOYSA-N,3,1,0.484,18,194,433.472,3.774,5,0.402,0.66,0.864,0.7436262079363991,0.5838273593310945,0.3696199712151326,0.34993317798643,0.511751679117264
EOS-3-31716,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nn5)cn4)n23)nc1,QUAONSVGSCZAKA-UHFFFAOYSA-N,3,1,0.273,70,652,450.441,3.245,6,0.402,0.55,0.892,0.187358645740525,0.22273147830854637,0.317772942224659,0.31194743334932495,0.2599526249057639
EOS-3-31717,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cscn5)n4)n23)cn1,RSUYHEGFJDWEMB-UHFFFAOYSA-N,3,1,0.523,27,69,456.413,3.698,5,0.394,0.62,1.0,0.6709444177917895,0.6844887259269412,0.7907014598039888,0.6223528202316496,0.6921218559385923
EOS-3-31718,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cc4)n23)cn1,ZGBWBWXKQFLKHJ-UHFFFAOYSA-N,3,1,0.326,42,174,448.465,4.455,6,0.37,0.72,1.0,0.24500548283188267,0.32445514358165994,0.6613494619971215,0.6568946610924542,0.47192618737577957
EOS-3-31719,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)o1,KJAUJFDSBVZHOE-UHFFFAOYSA-N,3,1,0.591,84,308,434.406,4.049,5,0.398,0.65,1.0,0.7785963950380371,0.5269686793228703,0.7567336029059009,0.6918819820437255,0.6885451648276334
EOS-3-31720,COc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)cc2)cn1,WQKVFBKDEBEFFY-UHFFFAOYSA-N,3,1,0.518,1,913,429.867,5.308,5,0.377,0.87,1.0,0.8168562812692756,0.8168905489685423,0.8621239120005483,0.8283616612980604,0.8310581008841067
EOS-3-31721,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cnc(F)c(F)c4)n23)cc1,GSJODBVXXNXIFE-UHFFFAOYSA-N,3,1,0.314,9,339,467.443,3.989,6,0.362,0.7,0.788,0.2397282571448153,0.2685388253032691,0.5956325817284628,0.6105218970598314,0.42860539030909467
EOS-3-31722,Cc1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)nc(C(F)F)n4)n23)cc1F,HUZYHLUMKNYEHL-UHFFFAOYSA-N,3,1,0.352,66,455,438.335,4.576,4,0.437,0.63,0.998,0.5478805428003564,0.7182252758549791,0.9824806387499143,0.94953224590501,0.799529675827565
EOS-3-31724,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)nc2C)s1,DZBZRZXXJGZSNW-UHFFFAOYSA-N,3,1,0.424,31,851,465.93,3.387,5,0.371,0.69,1.0,0.4365876225070249,0.4998372284284833,0.025246727434720034,0.03347097525872113,0.24878563840723733
EOS-3-31725,Fc1cnc(F)c(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cnn2)c1,MJTKHENRCBPGLK-UHFFFAOYSA-N,3,1,0.422,53,778,467.827,2.986,5,0.347,0.68,1.0,0.7317010485915976,0.7887053663217052,0.46419882119114525,0.5412240422178055,0.6314573195805634
EOS-3-31726,CC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)cn4)n23)cn1,CXRBRSWTRLUTNG-UHFFFAOYSA-N,3,1,0.462,7,535,447.409,3.124,5,0.387,0.61,1.0,0.6036940579809471,0.640420464670002,0.556918648481941,0.36295490370776506,0.5409970187101638
EOS-3-31727,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(F)cc5-c5cccnc5)n34)n2)cc1,KWJBJGOUWDBAKF-UHFFFAOYSA-N,3,1,0.326,3,118,452.428,4.379,6,0.395,0.64,1.0,0.026608868480570213,0.24820094578849977,0.7326605441710644,0.8098399698444246,0.45432758207113977
EOS-3-31728,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ncc(F)cn5)n34)n2)n1C,CWAOQNQIQCEVHV-UHFFFAOYSA-N,3,1,0.277,86,588,466.444,2.343,6,0.38,0.61,0.545,0.09534987320951271,0.14846480707285312,0.0147436776094853,0.02064628880816942,0.06980116167500514
EOS-3-31729,N#Cc1cc(-c2nnc3cncc(OCc4nc5cc(F)cc(Cl)c5[nH]4)n23)ccc1Cl,YJEYIRFBKULFOK-UHFFFAOYSA-N,3,1,0.478,23,708,454.252,4.564,5,0.427,0.68,1.0,0.827496401891577,0.8206942635871428,0.9288945240216572,0.9560174079912275,0.8832756493729012
EOS-3-31730,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)n5)no4)n23)cn1,BHSOVLLQUHAFPY-UHFFFAOYSA-N,3,1,0.31,99,812,457.845,2.747,6,0.363,0.65,0.995,0.19848708107737648,0.25794153930505104,0.04962819546295662,0.09038105681584538,0.14910946816530737
EOS-3-31731,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccn1,KOMRCLPJSHZUBP-UHFFFAOYSA-N,3,1,0.489,7,624,434.41,3.322,5,0.404,0.6,1.0,0.4669059694332123,0.37225001713384964,0.5702487834966761,0.5009337948050168,0.4775846412171887
EOS-3-31732,Fc1ncc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)nc1Cl,HYRVHGKECHMSSA-UHFFFAOYSA-N,3,1,0.495,75,496,448.849,3.452,5,0.389,0.61,1.0,0.7786049619628538,0.816899115893359,0.42093585086697277,0.4640703173188952,0.6201275615105202
EOS-3-31733,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)cn1,VZCRYHUXKAPUSJ-UHFFFAOYSA-N,3,1,0.523,75,530,460.885,2.806,5,0.365,0.66,1.0,0.5555136728120074,0.5638921252827085,0.3885271742855185,0.36926872729764926,0.4693004249194709
EOS-3-31734,Cn1ncc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1-c1ccccc1,IDHDBQHPAQNYBK-UHFFFAOYSA-N,3,1,0.547,35,161,415.432,3.347,5,0.423,0.75,1.0,0.5323572750325544,0.4240799122746899,0.44314131999177575,0.46407888424371185,0.465914347885683
EOS-3-31735,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1F,CDWNOLYQGXBWGO-UHFFFAOYSA-N,3,1,0.542,4,554,440.891,4.625,5,0.398,0.71,1.0,0.6374734425330684,0.6943835240901925,0.7753495305325201,0.7760862860667535,0.7208231958056337
EOS-3-31736,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ncccc6F)nn5C)n34)o2)n1C,ZPDVCGNGUZCEIP-UHFFFAOYSA-N,3,1,0.297,99,794,457.433,2.485,6,0.392,0.59,0.1,0.06707902131450895,0.16780892330888905,0.010802892193818107,0.013587142759235145,0.06481949489411282
EOS-3-31737,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)on2)nn1,UTAZXMLXMLXMIM-UHFFFAOYSA-N,3,1,0.421,99,833,456.43,1.344,6,0.357,0.66,1.0,0.2479011034199164,0.17205811801795629,0.022179768350352957,0.012987458022068398,0.11378161195257351
EOS-3-31738,COc1cc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)ccc1-c1ncnn1C,GXOAVJRHZXCPSK-UHFFFAOYSA-N,3,1,0.515,15,771,462.901,3.265,5,0.363,0.64,1.0,0.5581608525803577,0.4998457953533,0.3696285381399493,0.32112260982797614,0.4371894489753958
EOS-3-31739,Cc1cc(-c2cc(-c3nnc4cncc(COc5cccnc5)n34)ncn2)ccc1F,JIFVQTMCGLHLOW-UHFFFAOYSA-N,3,1,0.353,44,767,413.416,3.67,5,0.434,0.8,1.0,0.5350644232746213,0.47252587211294633,0.6378846549242684,0.5953327393598794,0.5602019224179289
EOS-3-31740,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)ccc1-c1ncon1,LZYOJZUQDSJNLI-UHFFFAOYSA-N,3,1,0.489,15,604,434.391,2.4,5,0.377,0.61,1.0,0.8222277431293263,0.6123723528202316,0.21281954629566172,0.15535261462545405,0.4506930642176684
EOS-3-31741,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cncs5)n34)c2)cc1=O,GMATUZCBCIPLOL-UHFFFAOYSA-N,3,1,0.53,15,438,431.481,2.63,5,0.407,0.64,1.0,0.36215817969981495,0.18074497978205742,0.17874031937495716,0.15817113289013776,0.21995365293674182
EOS-3-31742,Fc1cc(Cl)ccc1-n1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,NHTPUCBZYUQZGV-UHFFFAOYSA-N,3,1,0.621,34,612,456.268,4.397,5,0.39,0.72,1.0,0.4620827907614283,0.7760263175930368,0.8016414227948736,0.8920824480844356,0.7329582448084435
EOS-3-31743,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cn1,XNOFSKKFHWTQTB-UHFFFAOYSA-N,3,1,0.505,65,858,444.886,3.622,5,0.391,0.62,1.0,0.72554999657323,0.7588410664108012,0.43968028236584195,0.4294171064354739,0.5883721129463368
EOS-3-31745,COc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4ccccn4)c(F)n3)n12,WPOYYVDHGMQYRR-UHFFFAOYSA-N,3,1,0.421,44,703,446.417,4.114,5,0.363,0.71,0.998,0.8275049688163937,0.684497292851758,0.7614454115550682,0.6889349599067919,0.740595658282503
EOS-3-31746,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)c1,KXTUMHPHUIVQIA-UHFFFAOYSA-N,3,1,0.444,26,482,464.892,3.879,5,0.36,0.69,1.0,0.5426975532862723,0.5501679117264067,0.41722637242135563,0.44199335206634227,0.48802129737509425
EOS-3-31747,OC(c1ccccc1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)nc1,VLBDGLHQSFRVJN-UHFFFAOYSA-N,3,1,0.359,14,319,462.435,4.273,5,0.42,0.64,0.948,0.37370639435268316,0.44625968062504284,0.9821979302309642,0.9533273935987938,0.688872849701871
EOS-3-31748,FC(F)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccnnc5)no4)n23)cn1,ULWKQOBPGNRKHL-UHFFFAOYSA-N,3,1,0.467,92,69,423.343,2.543,5,0.401,0.66,1.0,0.5142467959701186,0.5360838873278048,0.32859296826811046,0.27840792269207043,0.4143328935645261
EOS-3-31749,COCc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nc(C)n2)cn1,HKBOMEKMVAXTJW-UHFFFAOYSA-N,3,1,0.386,31,658,455.482,2.51,5,0.344,0.63,1.0,0.3241810019875266,0.09140908779384552,0.0962836680145295,0.05733842779795764,0.1423030463984648
EOS-3-31750,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)nn1C,PMHYHZQLRRRWOO-UHFFFAOYSA-N,3,1,0.39,31,569,453.869,2.734,5,0.389,0.61,0.942,0.3367315468439449,0.28383935302583785,0.24461140429031594,0.2870176821328216,0.28804999657323005
EOS-3-31751,FC(F)(F)c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,BQBXWBQUVHPKMN-UHFFFAOYSA-N,3,1,0.605,90,400,454.239,5.133,4,0.418,0.73,1.0,0.9738965800836132,0.9820694263587143,0.9924268384620657,0.990148036460832,0.9846352203413063
EOS-3-31754,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)cn1,OMUZEUXERBCDIX-UHFFFAOYSA-N,3,1,0.444,31,569,447.89,2.96,5,0.365,0.66,1.0,0.38511753820848466,0.3334932492632445,0.21969878692344597,0.20761085600712767,0.2864801076005757
EOS-3-31755,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c1Cl,IDJSTZCVQJACFB-UHFFFAOYSA-N,3,1,0.537,97,183,449.301,5.134,5,0.37,0.8,1.0,0.7255585634980467,0.7367726680830649,0.9010520183674868,0.9214498663559728,0.8212082790761428
EOS-3-31756,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nc(CF)n2)c1,NFLDECGEOILHSZ-UHFFFAOYSA-N,3,1,0.429,18,840,442.458,3.438,5,0.378,0.6,1.0,0.5221883352751696,0.3384877664313618,0.2092814063463779,0.1905712425467754,0.3151321876499212
EOS-3-31757,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cc(Cl)ccc5F)nn4)n23)cn1,MFAYEFIKVRXZHR-UHFFFAOYSA-N,3,1,0.284,10,872,472.875,3.627,6,0.386,0.7,0.998,0.029924268384620655,0.207499485984511,0.4357394969501748,0.5313121102049209,0.30111884038105685
EOS-3-31758,Cc1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1cccnc1F,XZZQWRGXMRLSHU-UHFFFAOYSA-N,3,1,0.419,46,94,448.849,3.718,5,0.375,0.67,0.998,0.6316307998081009,0.6359570968405182,0.4952710575011994,0.48840895072304846,0.5628169762182167
EOS-3-31759,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)c1,VYSPJCRNHRPGFO-UHFFFAOYSA-N,3,1,0.37,31,643,432.423,2.015,5,0.38,0.61,0.999,0.3577033787951477,0.20281337810979372,0.06911794942087589,0.06663354122404222,0.17406706188746487
EOS-3-31760,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)s1,BILUZTFAGKFGPE-UHFFFAOYSA-N,3,1,0.478,87,838,450.915,3.683,5,0.386,0.67,1.0,0.48676410115824825,0.5888647111232952,0.19183914741964225,0.21655472551572888,0.3710056713042286
EOS-3-31761,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(C#N)cc6)cn5)n34)cn2)nn1,CPZKXJZJLGSREH-UHFFFAOYSA-N,3,1,0.333,70,167,457.461,2.977,6,0.391,0.61,1.0,0.06708758823932562,0.0884620656569118,0.35102974436296347,0.38516037283256804,0.22293494277294224
EOS-3-31762,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(-c2ccc(Cl)nn2)n1,PULKKPUAYNBZIG-UHFFFAOYSA-N,3,1,0.62,34,97,468.279,4.668,5,0.346,0.78,1.0,0.9663576862449456,0.9744362963470633,0.8245408128298266,0.8755140154890001,0.9102122027277089
EOS-3-31763,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)c1,QCVOOUYOQLRGPA-UHFFFAOYSA-N,3,1,0.459,26,643,464.892,3.879,5,0.36,0.72,0.994,0.45295044890686037,0.41493043657048867,0.5702573504214927,0.5860890274826948,0.5060568158453841
EOS-3-31764,COc1ncc(-c2nnc3cncc(OCCc4cncs4)n23)cc1-c1ncccc1F,UMGNOOQCHUTHSZ-UHFFFAOYSA-N,3,1,0.495,35,657,449.471,3.474,5,0.372,0.68,1.0,0.6005756973476801,0.5545199095332739,0.2552686587622507,0.21071208279076142,0.4052690871084915
EOS-3-31766,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)c1,LNUKNLAETCASSD-UHFFFAOYSA-N,3,1,0.576,84,207,449.396,3.682,5,0.391,0.63,1.0,0.8442276060585292,0.7367812350078816,0.8649081625659654,0.8727897333972997,0.829676684257419
EOS-3-31767,Cn1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1ccc(F)c(Cl)c1,VOHVIWBLBPVGNE-UHFFFAOYSA-N,3,1,0.506,95,998,467.867,4.14,5,0.373,0.71,0.999,0.577702008087177,0.5223425399218696,0.7948135837159893,0.8304177232540607,0.6813189637447742
EOS-3-31768,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)n(C)n1,LWIMJZYAGAVKPY-UHFFFAOYSA-N,3,1,0.565,37,125,447.449,3.795,5,0.394,0.64,1.0,0.634492152696868,0.607617709546981,0.7015797409361936,0.6457490919059694,0.6473596737715029
EOS-3-31769,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4scnc4-c4ncccn4)n23)cn1,XTUUAKLNWGNWEM-UHFFFAOYSA-N,3,1,0.262,86,812,439.468,2.562,6,0.407,0.57,1.0,0.06518573093002536,0.07817318895209376,0.019446919333835928,0.0222483037488863,0.046263535741210345
EOS-3-31770,Cn1nnnc1-c1cc(F)c(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cn1,XKCQLQXDWIAMFD-UHFFFAOYSA-N,3,1,0.289,99,356,470.407,2.174,6,0.377,0.61,0.995,0.12950620245356725,0.24820951271331643,0.13815879651840177,0.2722654375985196,0.19703498732095126
EOS-3-31771,Cc1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)nn2)n1,HDPJCJPIQLEUDQ-UHFFFAOYSA-N,3,1,0.318,86,312,451.429,2.734,6,0.372,0.63,0.955,0.0020560619560002743,0.1105989993831814,0.23047597834281405,0.26050304982523476,0.15090852237680763
EOS-3-31772,Cc1ccc(-c2nnc3cncc(OCc4cn(-c5cccc(Cl)c5F)nn4)n23)nc1,MNOSJSLQHCIOKB-UHFFFAOYSA-N,3,1,0.465,46,128,436.838,3.447,5,0.416,0.65,1.0,0.19558289356452607,0.3144832430950586,0.47462476869302994,0.5412326091426222,0.3814808786238092
EOS-3-31773,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,OJMGCOMCWLAIBP-UHFFFAOYSA-N,3,1,0.385,21,810,429.487,4.921,6,0.398,0.76,1.0,0.10282023164964704,0.08520663422657802,0.6881553697484751,0.72467617024193,0.40021460146665755
EOS-3-31775,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5nc(C)no5)n4)n23)ccc1Cl,LZIBSQYWXDJCCQ-UHFFFAOYSA-N,3,1,0.485,7,67,450.846,3.181,5,0.38,0.63,1.0,0.6404290315948187,0.6895603454184086,0.15952470701117127,0.14269069974641901,0.40805119594270434
EOS-3-31776,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(C(F)(F)F)nn5)n34)cc2)ncn1,WKFLGPIRVCYZLK-UHFFFAOYSA-N,3,1,0.37,96,121,438.348,3.863,5,0.312,0.77,1.0,0.3983620039750531,0.5132787334658351,0.9457713659104928,0.897616681516003,0.688757196216846
EOS-3-31777,Cn1nc(-c2nnc(CO)n2C)cc1COc1cncc2nnc(-c3ccccc3F)n12,TWURMWCRQOCZSE-UHFFFAOYSA-N,3,1,0.506,36,404,435.423,1.531,5,0.426,0.63,0.997,0.3918425741895689,0.5501764786512233,0.03861969707353848,0.05734699472277431,0.25949643615927626
EOS-3-31778,Cc1cnc(COc2cncc3nnc(-c4cc(-c5cccc(F)c5)ncn4)n23)cn1,KFJQHCMPWFGEGC-UHFFFAOYSA-N,3,1,0.43,44,238,414.404,3.065,5,0.432,0.74,0.999,0.4842454252621479,0.45508361318621066,0.37759577821945034,0.3629634706325817,0.41997207182509766
EOS-3-31779,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)nn1,ITUKJTQOIIDRRK-UHFFFAOYSA-N,3,1,0.333,54,706,416.832,3.792,5,0.435,0.69,1.0,0.5834075800150778,0.6454406826125694,0.38853574121033513,0.39173120416695223,0.5022788020012336
EOS-3-31780,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4Cl)n23)ccn1,OZKUPVZPUVFGGV-UHFFFAOYSA-N,3,1,0.557,37,626,453.293,3.9,5,0.389,0.67,1.0,0.8142690699746419,0.8319340689466109,0.6801538619697074,0.7536066753478171,0.7699909190596943
EOS-3-31781,Cc1n[nH]c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)n1,GFZBRXLMQABSOD-UHFFFAOYSA-N,3,1,0.291,98,7,421.428,2.732,6,0.443,0.63,1.0,0.1323161537934343,0.11349461997121513,0.1691196628058392,0.1553611815502707,0.14257290453018984
EOS-3-31782,Cc1cc(-c2nnc3cncc(Oc4ncc(Cl)cc4F)n23)cc(-c2ncc(F)cn2)n1,VXWGLYFQTUPYPN-UHFFFAOYSA-N,3,1,0.37,73,775,452.812,4.071,5,0.402,0.62,1.0,0.758018641628401,0.732155095606881,0.5634038105681585,0.5800579124117606,0.6584088650538003
EOS-3-31783,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5ccncc5)ncn4)n23)cn1,GGFULPVFEDRFMG-UHFFFAOYSA-N,3,1,0.433,80,34,462.477,3.018,6,0.367,0.62,1.0,0.34363648824617915,0.21727434720032898,0.2267150983482969,0.16868274964018914,0.23907717085874855
EOS-3-31784,N#Cc1cc(-c2ccc(CF)cn2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,CXSKNDVUUUFEAC-UHFFFAOYSA-N,3,1,0.535,35,201,451.465,4.211,5,0.365,0.68,1.0,0.9131056815845384,0.763047426495785,0.794822150640806,0.7407305873483654,0.8029264615173737
EOS-3-31785,Cc1cc(C#N)cnc1-c1cnnc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,WQWJRJHLTKSNHB-UHFFFAOYSA-N,3,1,0.385,55,62,455.869,3.451,5,0.391,0.62,1.0,0.6552669453772874,0.5639006922075251,0.5469981495442396,0.5640034953053252,0.5825423206085943
EOS-3-31786,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)s4)n23)c(Cl)c1,KIYUUCDQYRICGY-UHFFFAOYSA-N,3,1,0.512,55,540,435.9,4.246,5,0.407,0.71,1.0,0.5894044273867453,0.7367898019326983,0.3510383112877801,0.40082927832225346,0.5195154547323693
EOS-3-31787,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccnn5C)c4)n23)ccc1F,DOFXNWNGHWQNQU-UHFFFAOYSA-N,3,1,0.523,4,486,416.42,3.008,5,0.435,0.71,1.0,0.3783496676033171,0.34369645671989585,0.38115105201836746,0.2870262490576383,0.3475558563498047
EOS-3-31788,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)ccc1F,LRSIUVJMZIOFMD-UHFFFAOYSA-N,3,1,0.473,44,267,431.406,3.809,5,0.391,0.67,0.996,0.6231581111644164,0.5786443698170105,0.5892759235144952,0.5476749366047563,0.5846883352751696
EOS-3-31789,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)c[nH]1,FBRZRWPXOISBOL-UHFFFAOYSA-N,3,1,0.307,38,787,436.504,4.675,6,0.431,0.7,1.0,0.16506750736755535,0.1372935371119183,0.4539613460352272,0.4166695223082722,0.2932479782057433
EOS-3-31790,COc1cc(-c2nncc(C)n2)ccc1-c1nnc2cncc(OCc3cnc(F)cc3F)n12,CTUYLFGOJSWJRI-UHFFFAOYSA-N,3,1,0.447,16,375,462.42,3.213,5,0.351,0.67,1.0,0.7814577479268042,0.645449249537386,0.5798266054417106,0.4515454732369269,0.6145697690357069
EOS-3-31791,c1ccc(-n2cnc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)n2)cc1,GUQIZKUXDRQOPT-UHFFFAOYSA-N,3,1,0.278,10,871,417.436,3.496,6,0.433,0.67,0.886,0.0114968131039682,0.02408162565965321,0.20205092180111028,0.2694554862586526,0.12677121170584607
EOS-3-31792,Cn1cncc1-c1ccc(Cl)c(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,PFCXSQCBIYQPKQ-UHFFFAOYSA-N,3,1,0.484,37,482,467.32,3.91,5,0.374,0.68,1.0,0.6177952162291823,0.7182338427797957,0.49875779590158315,0.5800664793365773,0.6037133335617846
EOS-3-31793,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)nc1,MOMAJIIEAUCAMF-UHFFFAOYSA-N,3,1,0.244,70,813,463.509,3.236,6,0.382,0.69,0.986,0.05129874580220684,0.03484168322938798,0.042954561030772394,0.03445617161263793,0.040887790418751284
EOS-3-31794,Fc1ncnnc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)c1,JDHMNMTWPCYSQP-UHFFFAOYSA-N,3,1,0.439,87,227,450.825,2.242,5,0.355,0.65,1.0,0.7612655061339182,0.6845058597765746,0.20573469947227743,0.2454166952230827,0.47423069015146324
EOS-3-31795,COCc1cc(F)cc(-c2cc(-c3cncc4nnc(-c5ccnc(C)c5)n34)ncn2)n1,VZWBQSOVRJSOSD-UHFFFAOYSA-N,3,1,0.32,50,155,428.431,3.299,5,0.42,0.6,1.0,0.3268024809814269,0.3043143033376739,0.43574806387499143,0.3661332328147488,0.35824952025221024
EOS-3-31796,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)c2)nn1C,BBMIOZBAJSIRNW-UHFFFAOYSA-N,3,1,0.523,65,349,447.89,2.96,5,0.391,0.63,1.0,0.45068021383044343,0.46815674045644573,0.14696559522993627,0.1631570831334384,0.30723990816256597
EOS-3-31797,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,KEFWYSFMUTXVLD-UHFFFAOYSA-N,3,1,0.523,35,846,413.416,3.404,5,0.421,0.79,1.0,0.8038431224727571,0.8491878555273799,0.49189568912343223,0.4945428688917826,0.6598673840038379
EOS-3-31798,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)nc2C)n1,USVCQRVYELRCIH-UHFFFAOYSA-N,3,1,0.455,46,16,462.876,4.027,5,0.385,0.65,1.0,0.7193818107052292,0.6994551435816599,0.45024330066479334,0.4823521348776643,0.5878580974573367
EOS-3-31799,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nccs5)n4)n23)cn1,IYGQPNLCDOVJNC-UHFFFAOYSA-N,3,1,0.305,76,368,437.492,3.772,6,0.414,0.6,0.97,0.09776574600781303,0.1197827427866493,0.13191350832705093,0.13360975944075115,0.1207679391405661
EOS-3-31800,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cn2)o1,SDISPLPZKYCFPO-UHFFFAOYSA-N,3,1,0.404,80,855,464.449,2.976,6,0.359,0.66,1.0,0.37608799945171684,0.30432287026249055,0.1986669864985265,0.1336183263655678,0.25317404564457546
EOS-3-31801,Cc1ocnc1-c1ccc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)nc1,UHEUNCFNELFPGO-UHFFFAOYSA-N,3,1,0.566,4,10,420.379,4.007,5,0.424,0.71,1.0,0.8275135357412103,0.8089918442875745,0.722226029744363,0.6773953121787403,0.7590316804879721
EOS-3-31802,Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1F,LMHHRJFTYYGSFU-UHFFFAOYSA-N,3,1,0.506,55,879,413.416,3.67,5,0.434,0.81,1.0,0.7926547186621891,0.6943920910150092,0.6316222328832842,0.5509389349599068,0.6674019943800973
EOS-3-31803,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(F)c1,AXQIVXYVWYVCRE-UHFFFAOYSA-N,3,1,0.5,37,639,450.865,3.396,5,0.366,0.64,1.0,0.7524758412720169,0.7415016105818656,0.4247824001096566,0.47028133781097936,0.5972602974436296
EOS-3-31804,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)cc1F,KXIQBRXGEHWVDP-UHFFFAOYSA-N,3,1,0.529,73,469,453.84,4.097,5,0.398,0.64,1.0,0.7580272085532177,0.8207028305119595,0.8370228222877116,0.8324138167363443,0.8120416695223083
EOS-3-31805,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)c(Cl)c5)cnn4)n23)cn1,MTQIFPDOZRIBEK-UHFFFAOYSA-N,3,1,0.409,54,207,465.304,4.233,5,0.38,0.69,1.0,0.49415735727503257,0.559677198272908,0.6111558494962648,0.677403879103557,0.5855985710369406
EOS-3-31806,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cc4)n23)cc1,BSLFFPMMUPFKGG-UHFFFAOYSA-N,3,1,0.37,64,885,464.439,4.651,6,0.375,0.74,1.0,0.31169899252964156,0.42408847919950654,0.7066513604276609,0.7690271400178192,0.5528664930436571
EOS-3-31807,Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5cnc(Cl)cn5)n4)n23)cn1,OLJYCZNWMRSXIG-UHFFFAOYSA-N,3,1,0.429,7,185,420.824,2.098,5,0.42,0.65,1.0,0.20673702967582758,0.4330152148584744,0.07779624426016037,0.09233431567404564,0.202470701117127
EOS-3-31808,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)n1,WHZAGMBDDJALMX-UHFFFAOYSA-N,3,1,0.506,65,904,417.408,2.137,5,0.413,0.69,1.0,0.6288208484682338,0.5838359262559112,0.20928997327119458,0.18777842505654171,0.40243129326297034
EOS-3-31809,CCn1cc(-c2nc(C(F)(F)F)ccc2-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cn1,BLAKKKXRPONYFR-UHFFFAOYSA-N,3,1,0.366,61,121,478.438,3.854,5,0.41,0.72,1.0,0.22307415530121308,0.21728291412514564,0.7948307175656226,0.5891474196422453,0.45608380165855666
EOS-3-31810,COc1ncc(-c2n[nH]c(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)n2)cn1,MJRMZYLYHWZFAI-UHFFFAOYSA-N,3,1,0.246,94,342,449.438,2.499,6,0.416,0.6,0.342,0.27415016105818657,0.1484733739976698,0.06295833047769173,0.06180179562744157,0.13684591529024742
EOS-3-31811,FCCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,YKRCFEYOVFJPML-UHFFFAOYSA-N,3,1,0.354,51,211,451.853,3.042,5,0.371,0.61,0.982,0.42057604002467275,0.30433143718730726,0.21282811322047837,0.2454252621478994,0.29579021314508946
EOS-3-31812,Fc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cnn2)c1,XFGIUACQDDKLAI-UHFFFAOYSA-N,3,1,0.3,32,191,447.437,3.906,6,0.4,0.58,0.991,0.30903467891165787,0.3722585840586663,0.560062709889658,0.5891559865670619,0.457627989856761
EOS-3-31813,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c(F)c2)s1,CAFMNPLVLOQESO-UHFFFAOYSA-N,3,1,0.662,19,629,450.474,4.518,5,0.379,0.72,1.0,0.862389486669865,0.8863169076828181,0.6257710232335001,0.6427592351449524,0.7543091631827838
EOS-3-31814,CCc1nc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1cnc(C)cn1,DEQYBVTXOVOKJQ-UHFFFAOYSA-N,3,1,0.365,31,662,441.499,3.135,5,0.395,0.62,0.914,0.17874031937495716,0.10749777259954767,0.05137584812555685,0.021400178192036188,0.08975352957302447
EOS-3-31815,Fc1ccc(-c2cccc(-c3nnc4cncc(COCCOc5ccccc5)n34)c2)nc1,SSQVWQNUTHPORA-UHFFFAOYSA-N,3,1,0.44,79,18,441.466,4.588,5,0.328,0.81,1.0,0.5221969021999863,0.4903450757316154,0.7477126310739497,0.730013364402714,0.6225669933520663
EOS-3-31816,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)ccn1,AASQPQCNYBUOCJ-UHFFFAOYSA-N,3,1,0.443,51,196,434.822,3.41,5,0.387,0.59,1.0,0.6889863614556919,0.6895689123432253,0.5333596052361045,0.5672674936604757,0.6197955931738743
EOS-3-31817,Fc1cnc(CCOc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)c(F)c1,IGFDRUSXLFMHQT-UHFFFAOYSA-N,3,1,0.468,2,858,432.394,2.938,5,0.403,0.58,1.0,0.7130851209649784,0.6845144267013913,0.519909533273936,0.5211346035227195,0.6096609211157562
EOS-3-31818,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1-c1ccccc1F,AJORHMHNAPHNCF-UHFFFAOYSA-N,3,1,0.429,95,965,453.84,4.097,5,0.398,0.65,1.0,0.52480981426907,0.4812727023507642,0.809651497498458,0.8477743129326297,0.6658770817627305
EOS-3-31819,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)s2)cn1,YDZQWNOAMBDNBZ-UHFFFAOYSA-N,3,1,0.338,38,865,424.449,4.027,6,0.417,0.66,1.0,0.19293571379617572,0.20750805290932767,0.3214053183469262,0.327445000342677,0.2623235213487767
EOS-3-31820,Cc1cnc(-c2cccc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)cn1,JNVLGOGKMVQXPT-UHFFFAOYSA-N,3,1,0.418,14,18,412.428,4.275,5,0.429,0.87,1.0,0.5043519978068672,0.5732643410321431,0.7169145363580289,0.6834007264752244,0.619482900418066
EOS-3-31821,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5scnc5Cl)n34)c2)n[nH]1,ZAKPCMCHXWVTKS-UHFFFAOYSA-N,3,1,0.468,65,349,439.892,3.011,5,0.428,0.62,1.0,0.5043605647316839,0.5980998560756631,0.058991844287574535,0.08658590912206154,0.31200954355424576
EOS-3-31822,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)nc1,WKPQQQPMZIEDAY-UHFFFAOYSA-N,3,1,0.386,20,873,466.292,3.362,5,0.371,0.63,0.992,0.5581694195051744,0.5596857651977246,0.2920464670002056,0.4294256733602906,0.4598318312658488
EOS-3-31823,Fc1ccc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)nc1-c1cncnn1,AOAZOZZIHDNGGB-UHFFFAOYSA-N,3,1,0.494,34,877,452.812,3.549,5,0.399,0.6,1.0,0.6709529847166061,0.7460592145843328,0.6613580289219382,0.740739154273182,0.7047773456240147
EOS-3-31824,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)n1,CWKAGVKHWQUAFU-UHFFFAOYSA-N,3,1,0.318,3,289,450.893,4.754,6,0.385,0.7,1.0,0.032511479679254336,0.21243403467891167,0.592531354944829,0.7220289904735796,0.38987646494414363
EOS-3-31825,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1,AZFANUNYAJTAFW-UHFFFAOYSA-N,3,1,0.26,70,813,421.428,2.434,6,0.46,0.58,1.0,0.042320608594338976,0.052249674456856965,0.16570145980398876,0.14755671304228635,0.10195711397436777
EOS-3-31826,CCOc1ncc(-c2cncc3nnc(-c4cnc(-c5cccc(Cl)n5)nc4)n23)cc1Cl,DTTCZXDWLSBKJU-UHFFFAOYSA-N,3,1,0.312,82,261,465.304,4.411,5,0.352,0.75,1.0,0.46691453635802893,0.5405986567061888,0.4209444177917895,0.4791909396203139,0.47691213761908036
EOS-3-31827,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4F)n23)nn1,OKUBYEMGUCGYRU-UHFFFAOYSA-N,3,1,0.437,54,411,455.816,2.887,5,0.372,0.6,0.816,0.6178037831539991,0.6217188677952162,0.5199181001987526,0.5953413062846961,0.588695514358166
EOS-3-31828,Fc1cc(-c2ccncc2)cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)c1,XSUYHQKBOGJRJF-UHFFFAOYSA-N,3,1,0.392,14,189,416.391,4.106,5,0.402,0.8,1.0,0.4646614351312453,0.5596943321225413,0.8892810636693852,0.8781868960318004,0.6979559317387432
EOS-3-31829,Cc1cc(C)nc(CCOc2cncc3nnc(-c4cnnc(-c5cccc(F)c5)c4)n23)n1,FJKQMZZNDDFYBU-UHFFFAOYSA-N,3,1,0.5,37,778,442.458,3.416,5,0.394,0.6,1.0,0.5863803029264615,0.6699592214378727,0.22672366527311355,0.24276951545473238,0.43145817627304506
EOS-3-31830,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)nn1,BVZBHJQNGWOLEM-UHFFFAOYSA-N,3,1,0.523,58,241,444.886,3.622,5,0.366,0.67,1.0,0.7130936878897951,0.727486121581797,0.377604345144267,0.3692772942224659,0.5468653622095813
EOS-3-31831,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)n5)n34)c2)c1,DTSSDZRUCNCJGO-UHFFFAOYSA-N,3,1,0.446,46,160,451.824,4.154,5,0.371,0.69,1.0,0.6065554108697142,0.6699677883626893,0.8353008703995614,0.8563498046741141,0.7420434685765198
EOS-3-31832,Cc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ncc(F)cn5)c4)n23)n1,YKUZCPPAZNECLG-UHFFFAOYSA-N,3,1,0.512,20,82,446.421,3.246,5,0.392,0.58,1.0,0.9131142485093551,0.8700911520800494,0.39957850729901995,0.3977280515386197,0.645127989856761
EOS-3-31833,Cn1nccc1-c1cccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c1,QHZVQPYWKQZHML-UHFFFAOYSA-N,3,1,0.565,37,265,433.422,3.487,5,0.408,0.61,1.0,0.614865327941882,0.4594441779178946,0.7326691110958811,0.6862106778150915,0.6232973236926873
EOS-3-31834,Clc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cccc(-c5nnco5)n4)n23)c1,WMPLRUZEPGLENL-UHFFFAOYSA-N,3,1,0.318,76,543,454.841,3.409,6,0.39,0.6,0.84,0.1485761770954698,0.26334726886436843,0.16264306764443837,0.3058049482557741,0.22009286546501267
EOS-3-31835,COc1nc(-c2ccc(C)nn2)ccc1-c1nnc2cncc(OCc3cncc(F)c3F)n12,QUHBUWJHBHRRJD-UHFFFAOYSA-N,3,1,0.447,55,564,462.42,3.213,5,0.375,0.61,0.827,0.6769583990130903,0.5545284764580906,0.4746333356178466,0.3629720375573984,0.5172730621616064
EOS-3-31836,Cc1nnc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)s1,ZYSHAVGHCZJKBP-UHFFFAOYSA-N,3,1,0.5,72,483,453.89,4.385,5,0.364,0.77,1.0,0.7007401823041601,0.8207113974367761,0.5538002878486739,0.5891645534918786,0.6661041052703722
EOS-3-31837,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cn1,OVKBZMXLWZEINN-UHFFFAOYSA-N,3,1,0.671,84,858,461.888,4.366,5,0.371,0.72,1.0,0.8442361729833459,0.870099719004866,0.7638355835789186,0.7460078130354328,0.8060448221506408
EOS-3-31838,Fc1ccccc1CCOc1cncc2nnc(-c3cc(-c4cccnc4F)cnn3)n12,ILZJVVDYEDAQFK-UHFFFAOYSA-N,3,1,0.586,19,207,431.406,3.543,5,0.38,0.65,1.0,0.7039956137344938,0.6555239531217874,0.7090586663011446,0.732849016517031,0.7003568124186142
EOS-3-31839,Fc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ccnc(F)c5)c4)n23)c1,GLCRTWKEAMTONT-UHFFFAOYSA-N,3,1,0.489,87,307,431.406,3.543,5,0.38,0.65,1.0,0.737363785895415,0.7182424097046124,0.7247361387156467,0.7220375573983963,0.7255949729285175
EOS-3-31840,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)nc1Cl,DMGLWBMIRDILFM-UHFFFAOYSA-N,3,1,0.435,2,422,434.822,3.41,5,0.387,0.66,1.0,0.6917363443218423,0.6845229936262079,0.4642073881159619,0.5110427660886848,0.5878773730381742
EOS-3-31841,Cc1cc(-c2cc(Cl)nc(COc3cncc4nnc(-c5ccccc5F)n34)c2)n(C)n1,CQXWXFUSBGLTHV-UHFFFAOYSA-N,3,1,0.529,4,554,449.877,4.267,5,0.373,0.72,1.0,0.48931704475361526,0.6404290315948187,0.634723459666918,0.6310054142964842,0.598868737577959
EOS-3-31842,Fc1cc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)sc1Cl,BDMKOENPTXLPJE-UHFFFAOYSA-N,3,1,0.736,90,305,426.807,4.826,4,0.442,0.79,1.0,0.95063737920636,0.9702042354876294,0.9758070043177302,0.9717205811801796,0.9670923000479748
EOS-3-31843,COc1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1ccc(C#N)nc1,VCWUQOYOHCLZDM-UHFFFAOYSA-N,3,1,0.463,15,83,452.478,3.355,5,0.385,0.63,1.0,0.36676718525118224,0.3244637105064766,0.48872592694126515,0.31808135151805905,0.3745095435542457
EOS-3-31844,Cc1nc(-c2ncc(F)cn2)cc(-c2nnc3cncc(OCCc4cccc(O)c4)n23)n1,FTYPFABANDTCLU-UHFFFAOYSA-N,3,1,0.478,18,531,444.43,2.813,5,0.421,0.56,0.928,0.6737629360564732,0.45047460763484337,0.19867555342334314,0.18778699198135837,0.3776750222740045
EOS-3-31845,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)c1F,OLZHZUZPMFRJOP-UHFFFAOYSA-N,3,1,0.282,64,449,465.427,4.046,6,0.384,0.65,1.0,0.3215852237680762,0.37226715098348295,0.523284901651703,0.5891731204166952,0.45157759920498936
EOS-3-31846,COc1cc(-c2nnc3cncc(OCCc4ncccc4Cl)n23)ccc1-c1cncn1C,LSTIKVCCNCVANE-UHFFFAOYSA-N,3,1,0.511,15,771,461.913,3.87,5,0.363,0.65,1.0,0.7193903776300459,0.5597028990473579,0.5023644712494003,0.43259543554245766,0.5535132958673155
EOS-3-31847,COc1ccc(-c2nnc3cncc(OCc4cc(-c5nncc(C)n5)cnn4)n23)cn1,XHGHFNOPQNYOGL-UHFFFAOYSA-N,3,1,0.404,92,185,428.416,1.724,5,0.39,0.61,1.0,0.3436450551709958,0.22789733397299705,0.06490302241107532,0.0312692755808375,0.1669286717839764
EOS-3-31848,Cn1nc(N2Cc3nccn3CC2=O)nc1-c1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,VJNFYKVYBYOOOJ-UHFFFAOYSA-N,3,1,0.333,50,542,464.852,2.123,6,0.402,0.62,0.995,0.22308272222602973,0.2993454869440066,0.004394832430950586,0.0334795421835378,0.14007564594613117
EOS-3-31849,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cnsc5)ccc4Cl)n23)cn1,DLVAEADTJUAXRU-UHFFFAOYSA-N,3,1,0.494,2,969,435.9,4.246,5,0.407,0.67,1.0,0.5894129943115619,0.6025717908299637,0.5989308477828799,0.5953498732095127,0.5965663765334795
EOS-3-31850,Cc1cccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)n2)n1,TWYGYOMZMSRLGW-UHFFFAOYSA-N,3,1,0.322,38,532,421.42,4.472,6,0.41,0.76,1.0,0.20396991296004385,0.15632067712973752,0.2735847440202865,0.2961757247618395,0.23251276471797683
EOS-3-31851,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnn5)nc4)n23)cc1,SEEOKEMBAOGYBE-UHFFFAOYSA-N,3,1,0.523,71,415,463.465,2.413,6,0.362,0.61,1.0,0.46209135768624493,0.17649578507299019,0.1918477143444589,0.147565279967103,0.24450003426769926
EOS-3-31852,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cn1,BYGLGLFKHRAZBZ-UHFFFAOYSA-N,3,1,0.58,59,153,450.836,4.759,5,0.359,0.77,1.0,0.8752998423685834,0.8521948461380303,0.942670139126859,0.947416215475293,0.9043952607771915
EOS-3-31853,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ccc(F)cn1,JUKIWDIIKZFNFB-UHFFFAOYSA-N,3,1,0.4,95,477,450.865,3.396,5,0.366,0.66,1.0,0.4867726680830649,0.4375042834624083,0.3286015351929272,0.40375059968473714,0.4141572716057844
EOS-3-31854,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)c1,JLKARWRUILSHCI-UHFFFAOYSA-N,3,1,0.563,37,626,450.865,3.396,5,0.366,0.66,1.0,0.7040041806593106,0.7043297238023439,0.5989394147076965,0.6195343019669659,0.6567019052840792
EOS-3-31855,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ncnn4C)n23)cc(Cl)n1,JHPWXDQZLJSZNM-UHFFFAOYSA-N,3,1,0.413,92,105,422.84,1.948,5,0.395,0.66,1.0,0.3506185319717634,0.4284147762319238,0.04446233979850593,0.05046775409499006,0.2184908505242958
EOS-3-31856,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)ccc2F)s1,BULYCGZSYLLXFC-UHFFFAOYSA-N,3,1,0.523,37,125,470.921,3.766,5,0.372,0.74,1.0,0.5979028168048797,0.767664998971969,0.18191008155712426,0.2605116167500514,0.4519973785210061
EOS-3-31857,CCn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1F,GFFWEWQBHLNLER-UHFFFAOYSA-N,3,1,0.671,59,96,451.412,4.066,5,0.387,0.67,1.0,0.6492186964567199,0.7717771228839696,0.8282759920498938,0.832422383661161,0.7704235487629361
EOS-3-31858,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(F)cn6)nc5)n34)cc2)n1,LKFODENZXKKLLD-UHFFFAOYSA-N,3,1,0.345,32,57,471.459,4.383,6,0.372,0.73,1.0,0.32418956891234324,0.4769978068672469,0.7299448290041807,0.7115430744979782,0.5606688198204373
EOS-3-31859,c1cncc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)c1,JNPSQDZJWIQSDY-UHFFFAOYSA-N,3,1,0.284,86,723,418.424,2.891,6,0.429,0.63,1.0,0.010040435885134672,0.03173188952093756,0.21970735384826262,0.24844938660818314,0.1274822664656295
EOS-3-31860,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)[nH]n2)cn1,MIHKZIMRAPEEKQ-UHFFFAOYSA-N,3,1,0.527,11,963,426.415,3.209,5,0.443,0.63,1.0,0.7131022548146118,0.5685953670070591,0.6854910561304914,0.6715269686793228,0.6596789116578713
EOS-3-31861,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)nc(C)n4)n23)n1,PSQPXAMUMMHCPE-UHFFFAOYSA-N,3,1,0.396,7,330,429.419,2.768,5,0.389,0.61,1.0,0.459821122609828,0.437512850387225,0.19519738194777603,0.14523507641696937,0.3094416078404496
EOS-3-31862,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)o1,FZLTYJRIDMQIHB-UHFFFAOYSA-N,3,1,0.535,97,655,420.379,4.007,5,0.397,0.73,1.0,0.8396785689808787,0.6308597765746008,0.7995853608388733,0.7115516414227949,0.7454188369542869
EOS-3-31863,c1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)nn2)o1,DYUOOZSQAZWPTB-UHFFFAOYSA-N,3,1,0.329,38,63,425.437,3.422,6,0.418,0.61,1.0,0.14548351723665273,0.1807535467068741,0.1883952436433418,0.2281800424919471,0.18570308751970394
EOS-3-31864,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4c(F)c(C)nn4C)nc3)n12,LTHFWPKEPMEPIK-UHFFFAOYSA-N,3,1,0.36,22,985,449.877,4.363,5,0.405,0.67,0.999,0.3241981358371599,0.5086868617641012,0.566899115893359,0.554314303337674,0.48852460420807353
EOS-3-31865,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cc4)n23)cc1,SNNUVLFQPZANHU-UHFFFAOYSA-N,3,1,0.343,69,867,429.487,4.921,6,0.398,0.74,1.0,0.165076074292372,0.08521520115139469,0.7142587896648619,0.7002347337399767,0.4161961997121513
EOS-3-31866,Cn1nc(-c2nnc3cncc(OCc4ccsc4)n23)cc1-c1ccc(Cl)cc1,NCGORNDYCGEVKM-UHFFFAOYSA-N,3,1,0.506,95,965,422.901,4.486,5,0.417,0.76,1.0,0.4412223288328422,0.45509218011102737,0.5502535809745733,0.6164673428825989,0.5157588582002605
EOS-3-31867,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)ccn4)n23)nc1,XXZZSNGVOYOHRD-UHFFFAOYSA-N,3,1,0.478,46,267,417.379,3.501,5,0.404,0.74,0.998,0.6316393667329175,0.6217274347200329,0.7196131176752792,0.705666164073744,0.6696615208004935
EOS-3-31868,OCc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)c1,QRRUNKFETWFZKU-UHFFFAOYSA-N,3,1,0.494,59,577,464.407,3.737,5,0.382,0.72,1.0,0.8865996162017682,0.8090004112123912,0.9404341717497087,0.9094476046878213,0.8863704509629223
EOS-3-31869,Cc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)nc2)ncn1,BIOMOBYVAAGCJI-UHFFFAOYSA-N,3,1,0.291,86,812,449.503,4.137,6,0.395,0.65,1.0,0.13232472071825097,0.1678174902337057,0.22673223219793023,0.21656329244054554,0.18585943389760812
EOS-3-31872,c1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)ncn2)cc1,QULFKPGIBIIVEY-UHFFFAOYSA-N,3,1,0.357,93,651,427.471,4.977,6,0.395,0.78,1.0,0.14292200671646907,0.12335515043519978,0.7015883078610102,0.727331916935097,0.423799345486944
EOS-3-31873,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4C)n23)n1,RKWPZXRIUDZMON-UHFFFAOYSA-N,3,1,0.467,65,359,425.456,2.672,5,0.405,0.64,1.0,0.5248183811938867,0.3818963744774176,0.047752038928106366,0.02940168597080392,0.24596712014255362
EOS-3-31874,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)cn1,RWJDGMHCOLYGJI-UHFFFAOYSA-N,3,1,0.416,92,408,466.465,1.904,6,0.377,0.62,1.0,0.31925502021794255,0.13019155643890068,0.023276334726886436,0.027551230210403673,0.12506853539853333
EOS-3-31875,Fc1ccc(-c2c[nH]nn2)cc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,LPQMVVJFSIAWGD-UHFFFAOYSA-N,3,1,0.455,27,69,438.373,3.627,5,0.431,0.61,0.991,0.655275512302104,0.7367983688575149,0.8929734082653691,0.8423600164484957,0.7818518264683709
EOS-3-31876,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)nn4C)n23)nc1,DKMPYRHEKHZWST-UHFFFAOYSA-N,3,1,0.237,99,286,440.435,0.573,6,0.381,0.6,1.0,0.03775443766705503,0.02642039613460352,0.0048831471455006515,0.0031526283325337538,0.018052652319923243
EOS-3-31877,COc1ccc(F)c(F)c1-c1cnc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cn1,NGHVVPJMRUOAQO-UHFFFAOYSA-N,3,1,0.473,46,469,465.395,3.648,5,0.375,0.66,1.0,0.6492272633815366,0.6505808375025701,0.7926889863614557,0.738134809128915,0.7076579740936194
EOS-3-31879,OCc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,PSNCBFQENINMHO-UHFFFAOYSA-N,3,1,0.438,65,466,427.428,1.547,5,0.407,0.62,1.0,0.3690459872524159,0.18920053457610855,0.134929065862518,0.11603899664176547,0.20230364608320195
EOS-3-31880,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)ccc2F)ccn1,LGOYLQFFRAMJSL-UHFFFAOYSA-N,3,1,0.5,37,132,449.396,3.682,5,0.365,0.64,1.0,0.9144849564800219,0.9421132890137757,0.7948392844904393,0.8056507436090741,0.8642720683983278
EOS-3-31881,Cc1ncccc1-c1cnc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)nc1,QZEJBABLMLGAOH-UHFFFAOYSA-N,3,1,0.341,82,514,409.413,2.113,5,0.476,0.78,1.0,0.11300630525666507,0.05601055445137414,0.09629223493934617,0.06502295935850867,0.08258301350147351
EOS-3-31882,CCn1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cn1,ZVSUKGPXEUYKPY-UHFFFAOYSA-N,3,1,0.375,46,711,450.865,3.836,5,0.388,0.64,1.0,0.387533411006785,0.32447227743129325,0.6082259612089644,0.5860975944075115,0.47658231101363857
EOS-3-31883,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cncn5CCF)c(F)c4)n23)n1,JSDAHPHBLJCAOR-UHFFFAOYSA-N,3,1,0.495,4,911,453.478,4.107,5,0.369,0.74,1.0,0.48182955246384757,0.4462682475498595,0.3657991227468988,0.34659207730792957,0.41012225001713387
EOS-3-31884,Oc1cccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)c2)c1,QJCIFSGUMSNDDQ-UHFFFAOYSA-N,3,1,0.304,64,144,450.437,3.946,6,0.433,0.62,0.772,0.12951476937838394,0.21244260160372833,0.5266345692550202,0.5953584401343294,0.3659875950928655
EOS-3-31885,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccon5)cnn4)n23)cn1,DQPFLDJDVACIJU-UHFFFAOYSA-N,3,1,0.457,92,205,415.373,1.309,5,0.428,0.74,1.0,0.34365362209581246,0.17206668494277294,0.07341854567884312,0.04382838736207251,0.15824181001987525
EOS-3-31886,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)cn4)n23)cn1,DLCPIGHNQAYMLQ-UHFFFAOYSA-N,3,1,0.348,32,818,446.449,4.511,6,0.368,0.7,0.982,0.3039202247961072,0.39114865327941883,0.6910681241861422,0.6974247824001096,0.5208904461654444
EOS-3-31887,Cc1n[nH]c(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1,XEZWGOODVZHXMM-UHFFFAOYSA-N,3,1,0.378,92,587,420.824,2.302,5,0.454,0.62,1.0,0.42283770817627303,0.517716400520869,0.12075080529093277,0.15009252278802002,0.3028493591940237
EOS-3-31888,Cn1ccnc1-c1cnnc(-c2nnc3cncc(OCCc4cc(Cl)cnc4F)n23)c1,GJZJHGMVTNCWGZ-UHFFFAOYSA-N,3,1,0.408,65,65,451.853,2.791,5,0.362,0.63,1.0,0.5777105750119937,0.5269772462476869,0.3063960660681242,0.34994174491124663,0.44025640805976285
EOS-3-31889,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)ccn2)o1,BSTZGYATIUNFEM-UHFFFAOYSA-N,3,1,0.366,93,74,449.449,5.018,6,0.373,0.78,1.0,0.287857240764855,0.4195822767459393,0.6440699746419025,0.6862192447399081,0.5094321842231513
EOS-3-31890,Cc1cncc(COc2cncc3nnc(-c4cc(-c5ncccc5F)ccn4)n23)c1F,UAHYJWGWHPNQFV-UHFFFAOYSA-N,3,1,0.427,46,181,431.406,3.809,5,0.418,0.6,1.0,0.6582396682886711,0.5177249674456857,0.7222345966691797,0.6862278116647248,0.6461067610170653
EOS-3-31891,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C(F)(F)F)nn5)ccn4)n23)nc1,CVPWDOIFSZRODV-UHFFFAOYSA-N,3,1,0.432,46,128,469.362,3.17,5,0.358,0.67,1.0,0.5300099376327874,0.5981084230004797,0.7428466177780824,0.6011411143855802,0.6180265231992323
EOS-3-31892,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccc(-c5cccnn5)n4)n23)cc1,QXZMRVNEHULHCA-UHFFFAOYSA-N,3,1,0.326,74,333,409.413,2.065,5,0.478,0.79,1.0,0.2341940237132479,0.03772016996778836,0.12075937221574944,0.0797066684942773,0.11809505859776576
EOS-3-31894,Cc1ncc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cccc(F)c5)c4)n23)cn1,GARHSXGEIDWADJ-UHFFFAOYSA-N,3,1,0.573,11,684,461.888,4.366,5,0.347,0.73,1.0,0.9131228154341717,0.9216126379274896,0.6316307998081009,0.6598759509286547,0.7815605510246042
EOS-3-31895,FCc1cc(C(F)F)cnc1-c1nnc2cncc(Cc3cccc(-c4cncnn4)c3)n12,WVOWIAZHLHWKPI-UHFFFAOYSA-N,3,1,0.28,85,60,448.412,4.036,5,0.387,0.63,1.0,0.2961757247618395,0.29935405386882324,0.782340141182921,0.7665170310465356,0.5360967377150299
EOS-3-31896,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(F)n4)n23)c1F,FTTOHKLNJDCOLQ-UHFFFAOYSA-N,3,1,0.449,46,223,425.33,3.233,5,0.396,0.68,1.0,0.7436347748612158,0.6259937632787335,0.7352306216160647,0.7381433760537317,0.7107506339524364
EOS-3-31897,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6nccnn6)n5)n34)cn2)n1,VOZFOUPWBOXFEL-UHFFFAOYSA-N,3,1,0.281,86,513,446.438,2.261,6,0.393,0.55,0.999,0.13754197793160167,0.09451888150229594,0.04963676238777329,0.04933692001918991,0.08275863546021521
EOS-3-31898,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,NPJXUDJJRUZPNJ-UHFFFAOYSA-N,3,1,0.338,30,474,465.908,4.364,6,0.356,0.75,0.99,0.140009252278802,0.2838479199506545,0.2811664724830375,0.4358337331231581,0.285214344458913
EOS-3-31899,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)c2)s1,JRFOVMLIGOZOQI-UHFFFAOYSA-N,3,1,0.318,3,498,467.493,4.276,6,0.378,0.71,1.0,0.07924405455417723,0.22790590089781373,0.237466588993215,0.35300870399561374,0.22440631211020495
EOS-3-31900,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnccn5)n4)n23)cn1,XCYFEILRWAYVEZ-UHFFFAOYSA-N,3,1,0.42,80,34,464.453,1.808,6,0.355,0.62,1.0,0.3215937906928929,0.17650435199780687,0.040016105818655334,0.027559797135220342,0.14141851141114387
EOS-3-31901,C#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4OC)n23)cn1,YKMWZXLIKAQKGW-UHFFFAOYSA-N,3,1,0.432,92,248,438.451,2.551,5,0.373,0.66,1.0,0.4529590158316771,0.1447210609279693,0.39215098348296895,0.2107206497155781,0.3001379274895484
EOS-3-31902,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c(Cl)cn2)nn1,WNFWHKKJSJVJEQ-UHFFFAOYSA-N,3,1,0.444,92,134,469.843,3.547,5,0.371,0.7,1.0,0.5531063669385238,0.7043382907271606,0.677455280652457,0.6279298882873003,0.6407074566513604
EOS-3-31903,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nccs5)cc4)n23)cc1,JLIAHGIWCPBSCK-UHFFFAOYSA-N,3,1,0.36,69,484,451.49,5.178,6,0.367,0.83,1.0,0.22309128915084642,0.4149390034953053,0.6690596943321225,0.7220461243232129,0.5072840278253717
EOS-3-31904,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cncn5C)ccc4Cl)n23)c1F,URBKOKFFHARRHC-UHFFFAOYSA-N,3,1,0.446,26,606,449.877,4.267,5,0.398,0.66,1.0,0.6889949283805086,0.7043468576519772,0.7907100267288054,0.7485778904804331,0.7331574258104311
EOS-3-31905,Fc1ccc(F)c(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccc4Cl)n23)c1,DVLJPHZZQDDIPG-UHFFFAOYSA-N,3,1,0.494,59,146,450.836,4.759,5,0.384,0.72,1.0,0.8904033308203687,0.9252707148242068,0.9567198958261942,0.9633078610102118,0.9339254506202455
EOS-3-31906,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2C)cn1,HATJVFUXWCGCTN-UHFFFAOYSA-N,3,1,0.461,7,828,433.863,2.918,5,0.416,0.63,1.0,0.2796758275649373,0.3244808443561099,0.1691282297306559,0.17962271263107396,0.23822690357069426
EOS-3-31907,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)c(F)c5)n34)c2)o1,SSIFGEFDXZBOHA-UHFFFAOYSA-N,3,1,0.453,14,18,435.846,5.126,5,0.381,0.85,1.0,0.7373723528202316,0.7502741415941334,0.8870622301418682,0.8696713727640326,0.8110950243300665
EOS-3-31908,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1F,CMOWGCCPRSHDSR-UHFFFAOYSA-N,3,1,0.56,35,619,449.877,4.001,5,0.389,0.63,1.0,0.9084281406346378,0.8863254746076349,0.6748937701322734,0.6947776026317593,0.7911062470015764
EOS-3-31909,Cc1ncc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5cnccn5)n34)c2)o1,LQRAKGJNBPUDJP-UHFFFAOYSA-N,3,1,0.476,2,815,419.832,3.777,5,0.424,0.7,1.0,0.6616578712905216,0.7460677815091494,0.49190425604824894,0.46089198821191146,0.5901304742649578
EOS-3-31910,Cc1ccnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)n1,RFQLJPWHUOFGKB-UHFFFAOYSA-N,3,1,0.381,85,290,444.449,4.07,5,0.39,0.63,1.0,0.39185114111438557,0.4240970461243232,0.502373038174217,0.4166780892330889,0.4337498286615037
EOS-3-31911,COc1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)c(-c2nnnn2C)n1,IFBHVJFXWYQEQL-UHFFFAOYSA-N,3,1,0.33,36,105,436.827,0.815,5,0.385,0.59,1.0,0.22309985607566307,0.2891165787129052,0.005542800356384072,0.004737509423617298,0.1306241861421424
EOS-3-31912,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)s2)n(C)n1,QTWHUAUWHQKNSQ-UHFFFAOYSA-N,3,1,0.315,38,608,451.519,4.081,6,0.398,0.64,1.0,0.06709615516414227,0.09452744842711261,0.09630080186416284,0.102486121581797,0.09010263175930368
EOS-3-31913,Cn1nnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccc2F)n1,PAVMJSWEVBJLHZ-UHFFFAOYSA-N,3,1,0.547,37,265,469.843,2.93,5,0.373,0.66,1.0,0.7955075046261394,0.8319426358714276,0.5057998081008841,0.5861061613323282,0.6798390274826949
EOS-3-31914,COc1cc(-c2nnc3cncc(OCCc4nccnc4C)n23)ccc1-c1cnnn1C,RXOSLRAWIRAGAH-UHFFFAOYSA-N,3,1,0.468,20,638,443.471,2.315,5,0.373,0.59,1.0,0.3528287985744637,0.15632924405455417,0.07979233774244397,0.041378246864505516,0.15758215680899185
EOS-3-31915,Cc1cc(-c2cccnc2F)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)n1,ATCQFSKWAKMGQW-UHFFFAOYSA-N,3,1,0.41,58,132,462.876,3.761,5,0.351,0.69,0.989,0.676966965937907,0.6746881639366733,0.4133455554794051,0.45155404016174355,0.5541386813789322
EOS-3-31916,COc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(C)c5F)nn4)n23)cn1,MTOWWJOWVMSPIA-UHFFFAOYSA-N,3,1,0.446,92,185,445.418,2.468,5,0.385,0.6,1.0,0.527465560962237,0.5786529367418272,0.1852254814611747,0.1182149955451991,0.35238974367760945
EOS-3-31917,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4cccc(F)n4)n23)cc1,DHCWDENNWSXPAT-UHFFFAOYSA-N,3,1,0.321,98,890,451.429,2.64,6,0.372,0.6,1.0,0.2583356178466178,0.24821807963813308,0.16913679665547254,0.22818860941676375,0.2259697758892468
EOS-3-31918,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)nn1,KWYWUEPGUKCFDZ-UHFFFAOYSA-N,3,1,0.31,10,342,453.857,2.939,6,0.396,0.58,0.189,0.0277568364060037,0.14102871633198547,0.10659824549379755,0.21657185936536222,0.12298891439928723
EOS-3-31919,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(Cl)cc5)n4)n23)c1,PBDRJZAPHKUEAA-UHFFFAOYSA-N,3,1,0.318,39,144,465.908,4.458,6,0.379,0.72,0.878,0.03370228222877116,0.12697039270783358,0.32141388527174286,0.4578678637516277,0.23498860598999383
EOS-3-31920,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1F)N1CCOCC1,CHXCMMBZPGCEHJ-UHFFFAOYSA-N,3,1,0.408,52,229,482.479,2.922,6,0.36,0.81,0.997,0.039433554931121925,0.028879103556987185,0.021194571996436158,0.07615996162017682,0.04141679802618052
EOS-3-31921,Fc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)n1,QRZNWFAZVNNKIF-UHFFFAOYSA-N,3,1,0.414,18,490,465.851,4.196,5,0.347,0.73,1.0,0.707216777465561,0.718250976629429,0.742855184702899,0.794796449866356,0.7407798471660613
EOS-3-31922,COc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)cn2)n1,JKNNFGOEDXRLMN-UHFFFAOYSA-N,3,1,0.444,24,786,447.405,3.509,5,0.365,0.65,1.0,0.8599736138715647,0.7368069357823316,0.6526026317593037,0.517844904393119,0.6918070214515797
EOS-3-31923,Fc1cc(-c2ncc(Cl)c(COc3cncc4nnc(-c5ccccc5F)n34)n2)ccn1,ODGPSPQTRAKPGT-UHFFFAOYSA-N,3,1,0.5,73,539,451.824,4.154,5,0.371,0.72,1.0,0.7193989445548626,0.8670755945445823,0.7090672332259612,0.7786991981358372,0.7685602426153109
EOS-3-31924,Cc1nccc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nn2)n1,XSNNEQNDADUFCV-UHFFFAOYSA-N,3,1,0.368,74,333,410.401,1.508,5,0.465,0.76,1.0,0.0977743129326297,0.0217428551847029,0.05335480775820711,0.03231444040847097,0.05129660407100267
EOS-3-31925,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncn5C)c4)n23)c(F)c1F,LSUNFRWEXYVNJF-UHFFFAOYSA-N,3,1,0.506,59,607,450.424,4.497,5,0.395,0.69,1.0,0.7786135288876704,0.7368155027071482,0.948033034062093,0.9193081351518059,0.8456925502021794
EOS-3-31926,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C5CC(F)C(C)O5)c4)n23)cc1,SJAOCDPGHSLVBN-UHFFFAOYSA-N,3,1,0.326,63,792,421.436,2.66,5,0.544,0.53,0.997,0.15406757590295386,0.14848194092248646,0.6553697484750873,0.4672400795010623,0.35628983620039745
EOS-3-31927,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)cnc5F)ncn4)n23)cn1,JOKRBIIWRHSZPQ-UHFFFAOYSA-N,3,1,0.458,7,354,461.392,1.994,5,0.375,0.61,1.0,0.547889109725173,0.367598176958399,0.33959289973271195,0.2753666643821534,0.38261171269960936
EOS-3-31928,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1,PUSMWCPMRYBEAZ-UHFFFAOYSA-N,3,1,0.588,15,447,417.408,2.137,5,0.387,0.72,1.0,0.7870605167569049,0.6797340826536906,0.23048454526763074,0.23393701596874786,0.48280404016174355
EOS-3-31929,CCOc1ncc(-c2nnc3cncc(OCc4ccnc(-c5cncnn5)n4)n23)cn1,ZYRQGOIXOWFDLM-UHFFFAOYSA-N,3,1,0.41,7,185,429.404,1.201,5,0.365,0.67,0.993,0.33900178192036184,0.1848742375436913,0.019455486258652593,0.007650263861284354,0.1377454423959975
EOS-3-31931,COc1ncc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1cncnc1,HJZOXICKSIFWEO-UHFFFAOYSA-N,3,1,0.545,87,657,426.44,2.668,5,0.387,0.65,0.999,0.4794308135151806,0.3244894112809266,0.2267407991227469,0.1426992666712357,0.29334007264752243
EOS-3-31932,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)ncc1Cl,YNJLCSBZNXLKPV-UHFFFAOYSA-N,3,1,0.452,11,503,446.873,4.662,5,0.377,0.7,0.998,0.7814663148516209,0.7460763484339662,0.7567421698307175,0.8098485367692413,0.7735333424713864
EOS-3-31933,FCOc1cnc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)c(F)c1,UPXRBYAZLOPLNP-UHFFFAOYSA-N,3,1,0.511,1,22,436.378,3.865,5,0.379,0.67,1.0,0.8038516893975739,0.7760348845178535,0.6881639366732918,0.5982369268727298,0.7165718593653622
EOS-3-31934,COc1nc(-c2nnc(C)o2)ccc1-c1nnc2cncc(OCc3ccc(C)nn3)n12,NZGXCICTEWSIGB-UHFFFAOYSA-N,3,1,0.449,53,587,431.416,2.231,5,0.391,0.59,0.995,0.2423840038379823,0.12336371736001644,0.0252552943595367,0.007658830786101021,0.09966546158590912
EOS-3-31935,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)c2)ncn1,UEASIHKBSBUKTA-UHFFFAOYSA-N,3,1,0.374,46,181,444.886,3.888,5,0.402,0.61,1.0,0.5168425741895689,0.472534439037763,0.4746419025426633,0.41668665615790557,0.4701763929819752
EOS-3-31936,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnn6)cn5)n34)nc2)c(C)nn1,RPKQXCOGFXFXFX-UHFFFAOYSA-N,3,1,0.24,70,813,459.477,3.174,6,0.387,0.59,1.0,0.06915221712014255,0.01947262010828593,0.19520594887259268,0.16869131656500583,0.11313052566650675
EOS-3-31937,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cnn2)cn1,XRFPINKZJULVLA-UHFFFAOYSA-N,3,1,0.488,55,16,432.394,3.204,5,0.417,0.57,1.0,0.652259954766637,0.6076262764717977,0.6257795901583167,0.6042166403947639,0.6224706154478789
EOS-3-31938,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)ccc1F,GFXXNNJAGKNTIZ-UHFFFAOYSA-N,3,1,0.59,1,92,446.873,4.928,5,0.381,0.77,1.0,0.8142776368994585,0.8457525186758961,0.8096600644232747,0.8076468370913576,0.8193342642724968
EOS-3-31939,Fc1ncccc1-n1cc(-c2cncc3nnc(-c4cncnc4-c4ccc(Cl)cc4)n23)cn1,SOYZNUVUKCDBIN-UHFFFAOYSA-N,3,1,0.318,94,673,469.871,4.289,6,0.355,0.74,0.93,0.023156397779453088,0.22274004523336302,0.6470598314029196,0.7355475978342814,0.40712596806250423
EOS-3-31940,COCc1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5F)cc4)n23)cn1,XRTUYORBTXGZKV-UHFFFAOYSA-N,3,1,0.357,83,558,429.43,4.945,5,0.396,0.77,1.0,0.5193098485367692,0.6172040984168323,0.9383609759440751,0.9308563498046741,0.7514328181755877
EOS-3-31941,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ncnn4C)n23)cc1F,QTWXMLMZELDFOH-UHFFFAOYSA-N,3,1,0.511,36,353,419.424,2.081,5,0.415,0.68,1.0,0.5531149338633404,0.5132873003906517,0.09630936878897951,0.1003272565279967,0.3157597148927421
EOS-3-31942,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)cc2)n1,QCWRYCAYLBICPI-UHFFFAOYSA-N,3,1,0.35,61,336,413.445,2.271,5,0.476,0.72,1.0,0.18736721266534165,0.11636453978479885,0.2885340278253718,0.14270783359605235,0.18374340346789114
EOS-3-31943,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c(F)c2)cn1,ZNUCUOONRISBET-UHFFFAOYSA-N,3,1,0.441,16,606,461.432,3.818,5,0.376,0.67,1.0,0.837271263107395,0.7588496333356178,0.7247447056404633,0.5891816873415119,0.7275118223562469
EOS-3-31944,Cc1ccc(-c2nnc3cncc(-c4cnc(C)nc4-c4ccc(F)c(F)c4)n23)cn1,VZJQMPQOCSFBFS-UHFFFAOYSA-N,3,1,0.375,96,478,415.407,4.205,5,0.439,0.74,1.0,0.40258549790967035,0.48128126927558085,0.7477211979987664,0.7300219313275307,0.590402474127887
EOS-3-31945,Cc1nnc(-c2ccnc(-c3nnc4cncc(OCCc5c(F)cncc5F)n34)c2)s1,IYPGQCFYONJWFH-UHFFFAOYSA-N,3,1,0.455,18,559,452.45,3.308,5,0.387,0.61,1.0,0.5505534233431567,0.44627681447467615,0.28117503940785415,0.29618429168665616,0.3935473922280858
EOS-3-31946,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)nn1,LFXMPMGLUINNIX-UHFFFAOYSA-N,3,1,0.351,38,818,452.865,4.619,6,0.381,0.71,1.0,0.27968439448975396,0.33849633335617846,0.6201853882530327,0.6484990747721198,0.47171629771777124
EOS-3-31947,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)ccn2)nn1,QZXKVYJECUQUFG-UHFFFAOYSA-N,3,1,0.296,38,727,437.492,3.772,6,0.414,0.59,1.0,0.036426564320471526,0.07131108217394284,0.2957388115961894,0.3058135151805908,0.17732249331779865
EOS-3-31949,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)nc1,CPIYJIVIZVGWOX-UHFFFAOYSA-N,3,1,0.449,2,422,451.824,4.154,5,0.396,0.66,1.0,0.8345641148653279,0.8207199643615928,0.8847148927421012,0.8935045576040025,0.8583758823932561
EOS-3-31950,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)nc1,SHIWWAGYUYHVTA-UHFFFAOYSA-N,3,1,0.494,36,51,452.4,3.638,5,0.388,0.63,1.0,0.6261137002261669,0.7547546432732506,0.797246590363923,0.7407477211979988,0.7297156637653348
EOS-3-31951,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)n1,BSUYDLXWINHLEA-UHFFFAOYSA-N,3,1,0.506,4,677,415.432,3.613,5,0.436,0.77,1.0,0.6005842642724968,0.5406072236310054,0.6021348776643136,0.4976183949009664,0.5602361901171955
EOS-3-31952,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccc2F)nc1,GAXBQIGTFDWAGL-UHFFFAOYSA-N,3,1,0.528,11,490,444.445,4.456,5,0.385,0.68,1.0,0.9326211363169077,0.9140223425399219,0.7926975532862723,0.7737389486669864,0.8532699952025221
EOS-3-31953,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)n5C)n34)cc2)nn1,TXYGFJDYUXFOEG-UHFFFAOYSA-N,3,1,0.31,8,474,469.9,3.098,6,0.361,0.67,1.0,0.08813652251387842,0.25795010622986775,0.12906928928791722,0.20761942293194435,0.17069383524090193
EOS-3-31954,CCn1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)n1,UDLKCMRSXAIPQZ-UHFFFAOYSA-N,3,1,0.436,92,185,444.419,0.328,5,0.365,0.61,1.0,0.2313755054485642,0.13730210403673498,0.0035295730244671373,0.0006510862860667534,0.09321456719895826
EOS-3-31955,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(Cl)c4)n23)c1F,KGVBJZBFZDSRKP-UHFFFAOYSA-N,3,1,0.478,16,606,447.861,4.323,5,0.396,0.64,1.0,0.9131313823589884,0.852203413062847,0.8118103625522582,0.7854413679665547,0.840646631485162
EOS-3-31956,CCCn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cn1,XQBBWPKSEAPOHC-UHFFFAOYSA-N,3,1,0.588,59,294,447.449,4.317,5,0.37,0.74,1.0,0.5608508669727914,0.5044033993557673,0.5702659173463094,0.5509475018847234,0.5466169213898979
EOS-3-31958,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c1,TUZZBJMVCMLQDD-UHFFFAOYSA-N,3,1,0.44,36,379,437.826,2.748,5,0.386,0.62,1.0,0.45296758275649374,0.4770063737920636,0.3214224521965595,0.3629806044822151,0.403594253306833
EOS-3-31960,Cc1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1cnn(C)c1,XLTFLVBINSGCOQ-UHFFFAOYSA-N,3,1,0.435,46,910,449.877,4.267,5,0.398,0.67,1.0,0.5222054691248029,0.5360924542526215,0.7614539784798848,0.7328575834418477,0.6381523713247892
EOS-3-31961,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)[nH]n2)cn1,YZTWUIPGLCSSKI-UHFFFAOYSA-N,3,1,0.494,84,963,450.865,3.694,5,0.42,0.63,1.0,0.540101775066822,0.49035364265643205,0.5569272154067576,0.5800750462613941,0.5418644198478515
EOS-3-31962,N#Cc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)n1,QRVRYFPUTFZHDK-UHFFFAOYSA-N,3,1,0.529,15,300,420.436,3.136,5,0.411,0.64,1.0,0.8142862038242752,0.7229370845041464,0.3811596189431842,0.3371084915358783,0.563872849701871
EOS-3-31963,Fc1cncc(COc2cncc3nnc(-c4cc(-c5cccnn5)ccc4Cl)n23)c1F,LDCXVXYMHVHQTE-UHFFFAOYSA-N,3,1,0.461,59,772,451.824,4.154,5,0.396,0.63,1.0,0.8168648481940922,0.8522119799876636,0.8904118977451854,0.9025597971352204,0.8655121307655405
EOS-3-31964,Cc1ccnc(COc2cncc3nnc(-c4cncc(-c5csc(C)n5)c4)n23)n1,LQZGMRVUKCIXLS-UHFFFAOYSA-N,3,1,0.407,7,567,416.47,3.296,5,0.43,0.76,1.0,0.36905455417723254,0.27867349736138713,0.1093225275854979,0.06845829620999246,0.2063772188335275
EOS-3-31965,Fc1c(Cl)cccc1-c1nnccc1-c1nnc2cncc(OCc3ncccn3)n12,IOXLFQWMKVRLFG-UHFFFAOYSA-N,3,1,0.438,73,756,434.822,3.41,5,0.414,0.59,1.0,0.6582482352134877,0.7274946885066137,0.5023816050990336,0.5831677061202111,0.6178230587348366
EOS-3-31966,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc(C)n2)nc1,KSGCSNDQYLHWCE-UHFFFAOYSA-N,3,1,0.402,31,602,459.901,3.325,5,0.376,0.63,0.998,0.5168511411143856,0.4504831745596601,0.10933109451031457,0.12061373449386609,0.29931978616955657
EOS-3-31967,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)cc(Cl)c4F)n23)c1,YAMNVADMRPHPAF-UHFFFAOYSA-N,3,1,0.429,46,1,453.84,4.097,5,0.373,0.66,0.984,0.535072990199438,0.5086954286889178,0.884723459666918,0.8755225824138168,0.7010036152422726
EOS-3-31968,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)c(C)n5)n34)ncn2)cn1,QKHNMXJUPBWFHK-UHFFFAOYSA-N,3,1,0.374,31,113,444.434,2.206,5,0.384,0.61,0.999,0.5478976766499897,0.45049174148447674,0.06912651634569256,0.04934548694400658,0.27921535535604136
EOS-3-31969,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)cc1,ATPFRCATIHYDMM-UHFFFAOYSA-N,3,1,0.292,10,748,470.859,3.684,6,0.383,0.66,0.693,0.02776540333082037,0.18076211363169076,0.3431738743060791,0.5607480638749914,0.27811236378589543
EOS-3-31970,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cn1,OVSITGDHFYTIAC-UHFFFAOYSA-N,3,1,0.675,84,73,415.432,3.347,5,0.423,0.76,1.0,0.6288294153930505,0.6260023302035501,0.5333681721609211,0.49455143581659927,0.5706878383935303
EOS-3-31971,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1-c1ccc(F)nc1,SIGYXNOSGCTMMM-UHFFFAOYSA-N,3,1,0.409,95,564,454.828,3.492,5,0.375,0.66,1.0,0.4669231032828456,0.4505003084092934,0.72475327256528,0.7460163799602495,0.5970482660544171
EOS-3-31972,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1-c1ccc(Cl)nc1,LZWMJIKZLSLDLR-UHFFFAOYSA-N,3,1,0.409,95,564,454.828,3.492,5,0.375,0.66,1.0,0.4718576519772463,0.455100747035844,0.7247618394900966,0.7432663970940991,0.5987466588993215
EOS-3-31973,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)n1,JRRKEAOALAFAOZ-UHFFFAOYSA-N,3,1,0.467,27,69,446.421,3.863,5,0.387,0.65,1.0,0.6261222671509835,0.6123809197450483,0.6021434445891303,0.46408745116852856,0.5761835206634226
EOS-3-31974,Cn1nc(COc2cncc3nnc(-c4cccc(-c5ccnc(Cl)c5)c4)n23)cc1C#N,VXOHQKFEMZMPNF-UHFFFAOYSA-N,3,1,0.483,4,506,442.87,3.691,5,0.382,0.69,1.0,0.402594064834487,0.5545370433829073,0.6257881570831334,0.6370365293674183,0.5549889486669866
EOS-3-31975,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ncncc5F)n34)cn2)o1,IXEHWGZOYMOCQA-UHFFFAOYSA-N,3,1,0.484,87,579,418.392,2.7,5,0.41,0.7,1.0,0.6978531286409431,0.6555325200466041,0.19521451579740937,0.1659327667740388,0.42863323281474885
EOS-3-31976,Cn1cccc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(C(F)(F)F)n4)n23)cc1,FFDKGGGXSYAZLK-UHFFFAOYSA-N,3,1,0.563,15,922,465.439,4.227,5,0.373,0.72,1.0,0.8849461997121513,0.8834726886436844,0.8319255020217943,0.6656243574806388,0.8164921869645672
EOS-3-31977,Fc1ccnc(CCOc2cncc3nnc(-c4cnc(-c5ccccn5)cn4)n23)c1,JWWADKWRPMBVRU-UHFFFAOYSA-N,3,1,0.457,18,304,414.404,2.799,5,0.418,0.73,0.999,0.6462202727708861,0.6025803577547804,0.2625676787060517,0.28703481598245495,0.44960078130354325
EOS-3-31978,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5ncccc5C)cnn4)n23)n1,DEOZUQCWPKAJJZ-UHFFFAOYSA-N,3,1,0.421,53,873,424.468,3.277,5,0.409,0.64,0.437,0.3667757521759989,0.184882804468508,0.15017819203618668,0.11822356247001577,0.20501507778767733
EOS-3-31979,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cc1,IWTQPFONKPKGKX-UHFFFAOYSA-N,3,1,0.438,43,630,464.407,3.737,5,0.382,0.71,1.0,0.7612740730587348,0.7182595435542458,0.9491895689123432,0.9332293879788911,0.8404881433760537
EOS-3-31980,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C(F)F)nn4)n23)cc1,QVJYXOHCZXRSHN-UHFFFAOYSA-N,3,1,0.311,98,882,472.423,2.697,6,0.372,0.64,0.994,0.1650846412171887,0.17651291892262352,0.18191864848194092,0.18246693167020767,0.1764957850729902
EOS-3-31981,Cn1cc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)n1,JAXMVSKWTAGSBC-UHFFFAOYSA-N,3,1,0.402,46,242,437.826,2.748,5,0.386,0.61,0.998,0.37126482077993284,0.40095778219450345,0.20205948872592694,0.2484579535329998,0.30568501130834075
EOS-3-31982,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3ccc(Cl)cc3F)n12,DPDSGACMJOYTQT-UHFFFAOYSA-N,3,1,0.453,13,145,426.77,4.565,5,0.416,0.67,1.0,0.8396871359056953,0.9319443492563909,0.9075286135288877,0.9214584332807896,0.9001546329929409
EOS-3-31983,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1ccc(Cl)c(Cl)c1,RFIJJCMLTPKICI-UHFFFAOYSA-N,3,1,0.533,95,266,466.332,4.515,5,0.366,0.78,1.0,0.47943938043999723,0.49524535672674935,0.5830220683983277,0.6743797546432733,0.5580216400520869
EOS-3-31984,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3cccc(Cl)n3)n12,DGVIHQYJKCBYGH-UHFFFAOYSA-N,3,1,0.474,4,248,447.886,3.828,5,0.365,0.7,1.0,0.5581779864299911,0.4725430059625797,0.49527962442601603,0.40375916660955385,0.4824399458570352
EOS-3-31985,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)cc2)n1,IEOWYBBLRYNOLA-UHFFFAOYSA-N,3,1,0.443,56,870,464.493,3.483,6,0.381,0.67,1.0,0.32160235761770956,0.19366390240559248,0.14697416215475292,0.1045079158385306,0.19168708450414637
EOS-3-31986,COc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cn(C)cn1,CNKCWLICSAMHHX-UHFFFAOYSA-N,3,1,0.46,49,501,428.456,2.612,5,0.39,0.62,0.999,0.4205846069494894,0.15239702556370366,0.15953327393598793,0.08841923103282845,0.20523353437050237
EOS-3-31987,N#Cc1ccc(COc2cncc3nnc(-c4cc(F)cc(-c5ncc(=N)[nH]n5)c4)n23)cn1,NGBKWPAQKWRGKD-UHFFFAOYSA-N,3,1,0.528,16,214,440.402,2.041,5,0.421,0.68,0.983,0.5952556370365294,0.4551093139606607,0.5266431361798369,0.4484271126036598,0.5063587999451716
EOS-3-31988,Cc1ncc(-c2nccnn2)cc1-c1cncc2nnc(-c3nccnc3-c3ncccn3)n12,WNXGUSADQRIAIB-UHFFFAOYSA-N,3,1,0.247,86,953,446.438,2.261,6,0.393,0.56,1.0,0.07118257830169282,0.03174045644575423,0.03325680213830443,0.037583099170721675,0.043440734014118285
EOS-3-31989,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)cn2)nc1,BUBVMABMACHPDT-UHFFFAOYSA-N,3,1,0.557,84,166,465.851,4.196,5,0.371,0.69,1.0,0.9437324378041259,0.9563686519087109,0.7376122267150983,0.7831711328901377,0.8552211123295183
EOS-3-31990,Fc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1-c1ccccn1,XUSIQISBOXZQCY-UHFFFAOYSA-N,3,1,0.505,11,132,465.851,4.196,5,0.371,0.69,1.0,0.9347114659721746,0.9392605030498252,0.7118000822424783,0.7760948529915701,0.840466726064012
EOS-3-31991,CC(C)(F)c1ncc(-c2nnc3cncc(OCc4cnc(F)c(Cl)c4)n23)cn1,MMKGHFSCANXZGE-UHFFFAOYSA-N,3,1,0.482,68,811,417.807,3.552,4,0.458,0.65,1.0,0.6949489411280927,0.7460849153587829,0.6637910355698718,0.507684531560551,0.6531273559043246
EOS-3-31992,Cc1nc(C)c(-c2nnc3cncc(-c4cncc(-c5ccc(F)c(C#N)c5)c4)n23)cc1F,XNLPSRJKVPKKOK-UHFFFAOYSA-N,3,1,0.31,96,859,439.429,4.682,5,0.405,0.68,1.0,0.3621667466246316,0.47255157288739635,0.9010605852923035,0.8894010006168186,0.6562949763552876
EOS-3-31993,Clc1nnc(-c2nnco2)cc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,XSEBHIAOUAZFSP-UHFFFAOYSA-N,3,1,0.313,70,887,454.841,3.409,6,0.39,0.59,0.985,0.24501404975669933,0.31449181001987525,0.2057432663970941,0.2961928586114728,0.2653604961962853
EOS-3-31994,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)nn1C,IRFBTFVWKORLRY-UHFFFAOYSA-N,3,1,0.436,7,185,434.851,2.313,5,0.383,0.64,0.993,0.35983654307449797,0.5452504968816394,0.05336337468302378,0.06334384209444179,0.25544856418340073
EOS-3-31995,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ncn2)no1,QMNCTEUIWKCOJF-UHFFFAOYSA-N,3,1,0.631,27,463,452.381,3.12,5,0.363,0.65,1.0,0.5863888698512781,0.6454578164622027,0.46084915358782813,0.3851689397573847,0.5194661949146734
EOS-3-31996,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnn(Cc6ccc(F)nc6)n5)n34)cc2)cn1C,IAGOSEKCGWKNRM-UHFFFAOYSA-N,3,1,0.301,98,882,467.472,2.736,6,0.355,0.66,1.0,0.20955554794051126,0.29453087519703924,0.10933966143513124,0.12284970187101638,0.18406894661092454
EOS-3-31997,Cn1cncc1-c1cnc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)nc1F,YOLGZUWBHPHSDE-UHFFFAOYSA-N,3,1,0.365,51,564,455.816,2.887,5,0.372,0.63,1.0,0.6647333972997053,0.5452590638064561,0.5301041738057707,0.5576639709409911,0.5744401514632308
EOS-3-31998,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5csc(F)n5)n34)ncn2)o1,IOYFKSKNYHFJDV-UHFFFAOYSA-N,3,1,0.427,31,194,424.421,2.762,5,0.405,0.7,0.978,0.5666335412240422,0.4857617709546981,0.08208827359331095,0.06846686313480913,0.3007376122267151
EOS-3-31999,Fc1ccc(-n2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1Cl,FUMNOGQOBJDDCT-UHFFFAOYSA-N,3,1,0.595,34,612,456.268,4.397,5,0.39,0.73,1.0,0.6288379823178671,0.8809540127475841,0.7948478514152559,0.8796004386265506,0.7960600712768144
EOS-3-32000,Fc1cnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cccs5)n34)c2)nc1,RLUPSRMBXVSESN-UHFFFAOYSA-N,3,1,0.63,73,141,452.902,4.724,5,0.371,0.76,1.0,0.9326297032417243,0.9058237954903707,0.6111644164210814,0.6715355356041396,0.780288362689329
EOS-3-32001,CCn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4ccc(C)o4)cn3)n12,LZYGSLGUYPKPDE-UHFFFAOYSA-N,3,1,0.288,30,979,448.49,4.7,6,0.377,0.77,1.0,0.0377630045918717,0.08522376807621136,0.10414810499623055,0.1336268932903845,0.09019044273867452
EOS-3-32003,Cn1c(Cl)nnc1-c1nc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)ccc1F,BAPAGNYDRRUGCD-UHFFFAOYSA-N,3,1,0.483,92,434,473.259,2.797,5,0.355,0.72,1.0,0.5068535398533343,0.669976355287506,0.14126859022685218,0.24846652045781648,0.39164125145637724
EOS-3-32004,FC(F)c1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)s1,XBZSJOLAJVQSCK-UHFFFAOYSA-N,3,1,0.516,65,658,453.438,3.054,5,0.366,0.65,0.998,0.5834161469398944,0.6699849222123226,0.13816736344321842,0.12062230141868276,0.3780476835035295
EOS-3-32005,c1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnccn6)n5)n34)cn2)cn1,ADBQIZKYHLYMHH-UHFFFAOYSA-N,3,1,0.28,86,513,421.388,1.076,6,0.402,0.63,1.0,0.008772531012267836,0.03485025015420465,0.017784935919402372,0.021408745116852854,0.02070411555068193
EOS-3-32006,Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5cccnc5Cl)cc4F)n23)cn1,BPONVBVGUGSTCV-UHFFFAOYSA-N,3,1,0.4,13,412,433.834,4.537,5,0.384,0.74,1.0,0.8011959427044069,0.8207285312864094,0.7401908710849153,0.7167003632376122,0.769703927078336
EOS-3-32007,c1ccc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)nc1,LVVQXOPTUXRTMH-UHFFFAOYSA-N,3,1,0.42,6,584,450.426,1.797,6,0.394,0.57,1.0,0.3897608114591186,0.3530772393941471,0.0462271263107395,0.04259475018847234,0.20791498183811938
EOS-3-32008,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,XKNQUSSTQLFDSF-UHFFFAOYSA-N,3,1,0.512,37,132,453.89,4.119,5,0.382,0.69,1.0,0.819580563360976,0.8670841614693989,0.5167826057158522,0.5891902542663285,0.6981593962031389
EOS-3-32009,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)c2)ns1,BQVNYYMXGNIOPE-UHFFFAOYSA-N,3,1,0.506,15,921,450.915,3.683,5,0.361,0.7,1.0,0.532365841957371,0.6308683434994174,0.08709992461106161,0.12285826879583304,0.34329809471592077
EOS-3-32010,Fc1ccc(COc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)c(F)n1,FJMUKDQCLZOVAX-UHFFFAOYSA-N,3,1,0.43,24,486,418.367,2.896,5,0.402,0.7,1.0,0.7131108217394284,0.602588924679597,0.5095092865465013,0.49762696182578303,0.5807089986978274
EOS-3-32011,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3F)n12,LGCSYCGKJZMUEW-UHFFFAOYSA-N,3,1,0.339,61,269,485.483,2.689,6,0.389,0.87,0.997,0.2987629360564732,0.32876430676444385,0.13493763278733467,0.1608782811322048,0.23083578918511413
EOS-3-32012,CC#Cc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)cn1,QBALAQJELYOYJB-UHFFFAOYSA-N,3,1,0.517,4,253,437.438,3.733,5,0.387,0.64,1.0,0.7255671304228634,0.7630559934206017,0.6553783153999041,0.5831762730450277,0.6817944280720992
EOS-3-32013,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(C)n5)ccc4F)n23)cc1,HIAJMMBELXBFAR-UHFFFAOYSA-N,3,1,0.535,1,230,425.467,5.188,5,0.388,0.86,1.0,0.9185970803920225,0.8354036734973613,0.8718987732163662,0.8144147076965252,0.8600785587005688
EOS-3-32014,Cn1nncc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)s4)n23)n(C)n1,DYXDKEYATQQYFD-UHFFFAOYSA-N,3,1,0.268,99,813,440.496,3.111,6,0.415,0.59,1.0,0.006982043725584264,0.01052018367486807,0.09186313480912892,0.10885134672058118,0.05455417723254061
EOS-3-32015,Cn1nnc(-c2ncc(-c3nnc4cncc(OCCc5ccc(C(F)(F)F)nc5)n34)cn2)n1,YRINQZPWHFTTKT-UHFFFAOYSA-N,3,1,0.544,65,779,469.391,1.807,5,0.362,0.66,1.0,0.5637550544856418,0.55018504557604,0.32861010211774383,0.21382187649921183,0.4140930196696594
EOS-3-32016,Cc1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc(-c2cnc(C)nc2)n1,CMESOXPQCBKQNF-UHFFFAOYSA-N,3,1,0.484,55,441,446.421,3.512,5,0.378,0.62,1.0,0.7373809197450483,0.6025974916044137,0.6287351792200672,0.5009423617298334,0.6174139880748406
EOS-3-32017,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)n1,JZFQSXNIEKIOCT-UHFFFAOYSA-N,3,1,0.59,24,912,429.871,4.184,5,0.413,0.64,1.0,0.46209992461106164,0.5639092591323418,0.540101775066822,0.5313206771297375,0.5243579089849907
EOS-3-32018,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(C)nc6)nc5)n34)nc2)cn1,FRAZDQLDQFKWJF-UHFFFAOYSA-N,3,1,0.318,70,714,459.517,4.502,6,0.374,0.72,1.0,0.07309300253580975,0.056019121376190806,0.4030224110753204,0.3211311767527928,0.21331642793502845
EOS-3-32019,OCc1ccc(-c2nnc3cncc(COc4ccc(-c5ccc(F)nc5)nn4)n23)cn1,PYGPVUURVLLBFG-UHFFFAOYSA-N,3,1,0.368,85,351,430.403,2.249,5,0.404,0.62,1.0,0.5193184154615859,0.5406157905558221,0.42095298471660614,0.3530172709204304,0.4584761154136111
EOS-3-32020,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)cn2)n1,DAFPJJBBXNIZJZ-UHFFFAOYSA-N,3,1,0.287,99,286,449.442,1.599,6,0.386,0.58,0.966,0.06167329175519155,0.059959906791857996,0.020355013364402715,0.01745082585155233,0.039859759440751145
EOS-3-32021,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)n(C)n1,RRFAOQAFXMJIBO-UHFFFAOYSA-N,3,1,0.571,4,506,431.887,4.128,5,0.416,0.64,1.0,0.34366218902062917,0.45511788088547733,0.5367949420875883,0.5178534713179357,0.46335712082790764
EOS-3-32022,Cc1cc(-c2nnc3cncc(OCc4cc(-c5nccn5C)on4)n23)ccc1Cl,ZICXCZFLNYGFAS-UHFFFAOYSA-N,3,1,0.5,16,677,421.848,3.721,5,0.426,0.7,1.0,0.5018076211363169,0.5888732780481118,0.38116818586800083,0.38217051607155095,0.46350490028099517
EOS-3-32023,CCOc1cncc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)n1,HRNPACYTYFLJDE-UHFFFAOYSA-N,3,1,0.454,15,248,461.507,3.691,5,0.342,0.74,1.0,0.36430847782879855,0.27868206428620385,0.25527722568706734,0.12517990542115,0.25586191830580496
EOS-3-32024,OCc1cc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)ccn1,HHPOTGSINHRHRZ-UHFFFAOYSA-N,3,1,0.473,97,91,446.417,3.598,5,0.398,0.67,1.0,0.7255756973476801,0.5935422520731958,0.8784267699266671,0.8283702282228771,0.756478736892605
EOS-3-32025,CCCCOc1ncc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cn1,MJLZFPHYJCEDJT-UHFFFAOYSA-N,3,1,0.317,82,974,443.446,3.418,5,0.349,0.72,0.997,0.5350815571242546,0.4638647111232952,0.1819272154067576,0.18779555890617505,0.3421672606401206
EOS-3-32026,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)cnn4)n23)ccn1,ZCZPJBUAZXYXED-UHFFFAOYSA-N,3,1,0.452,54,873,448.849,3.452,5,0.364,0.61,1.0,0.7642981975190186,0.7043554245767939,0.5600712768144747,0.6164759098074155,0.6613002021794256
EOS-3-32027,CCc1ccnc(-c2cc(-c3nnc4cncc(OCc5cnc(C)nn5)n34)nc(F)n2)n1,OVYGATKVICUNTD-UHFFFAOYSA-N,3,1,0.35,31,828,445.422,1.812,5,0.353,0.63,0.997,0.39837057089986977,0.3437050236447125,0.01688540881365225,0.010228908231101364,0.19229747789733398
EOS-3-32028,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c2)nc1,MPACNXZPLGHXTP-UHFFFAOYSA-N,3,1,0.566,73,265,449.396,3.682,5,0.391,0.6,1.0,0.902131450894387,0.872652662600233,0.7800784730313207,0.7690357069426359,0.8309745733671441
EOS-3-32029,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(C(F)F)n5)c4)n23)cn1,DLYIJGALRSPFPX-UHFFFAOYSA-N,3,1,0.511,27,430,445.433,4.468,5,0.381,0.68,1.0,0.7842334315674045,0.6649818381193887,0.8136693852374751,0.6918905489685423,0.7386938009732027
EOS-3-32030,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)c(F)c1F,INEVRSAOXOSPJN-UHFFFAOYSA-N,3,1,0.469,20,778,446.421,3.246,5,0.392,0.59,1.0,0.6890034953053252,0.6797426495785073,0.5989479816325132,0.5672760605852923,0.6337425467754095
EOS-3-32031,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)cc2F)s1,NSICIIYODHUYIJ-UHFFFAOYSA-N,3,1,0.535,37,795,468.905,3.822,5,0.37,0.7,1.0,0.8012045096292235,0.8284387636214104,0.19868412034815983,0.2694640531834693,0.5244478616955657
EOS-3-32032,Cc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5ccnnc5)c4)n23)n(C)n1,RNZXWLUAUNZBPW-UHFFFAOYSA-N,3,1,0.536,36,534,416.42,3.008,5,0.435,0.71,1.0,0.3598451099993146,0.41025289562058803,0.45025186758961006,0.3947467617024193,0.40377415872798306
EOS-3-32033,CCc1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1nc(C)n[nH]1,VTOMZUURTJPQBH-UHFFFAOYSA-N,3,1,0.429,31,717,431.435,2.955,5,0.408,0.66,0.993,0.4506887807552601,0.42842334315674047,0.15018675896100336,0.12286683572064971,0.2880414296484134
EOS-3-32034,Cc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cnn(C)c1,TZYOQSKNVMUSKG-UHFFFAOYSA-N,3,1,0.422,13,251,419.395,3.966,5,0.438,0.7,1.0,0.40040949900623674,0.4284319100815571,0.740199438009732,0.6862363785895415,0.5638193064217668
EOS-3-32035,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4ncccn4)cn3)n12,KSZJYGMOWPLCHK-UHFFFAOYSA-N,3,1,0.368,93,651,445.461,5.116,6,0.375,0.8,1.0,0.3461808649167295,0.495253923651566,0.7376207936399151,0.7787077650606539,0.5894408368172162
EOS-3-32037,Cc1nc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)cs1,AKBCCHJJXKGQDN-UHFFFAOYSA-N,3,1,0.455,46,267,419.445,3.731,5,0.429,0.71,1.0,0.4770063737920636,0.414947570420122,0.32496059214584333,0.30893187581385784,0.3814616030429717
EOS-3-32038,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cn2)n1,KTEOQLJNOUBOAM-UHFFFAOYSA-N,3,1,0.317,3,150,440.854,4.347,6,0.376,0.7,1.0,0.04808614899595641,0.16003015557535466,0.570274484271126,0.6195428688917826,0.3494834144335549
EOS-3-32039,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4ncccc4F)n23)n1,DAKJUQHLCISJNR-UHFFFAOYSA-N,3,1,0.433,44,531,463.423,3.991,5,0.376,0.66,1.0,0.7814748817764375,0.7368240696319649,0.680162428894524,0.694786169556576,0.7233118874648756
EOS-3-32040,Cn1cc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)cn1,RVESEBUKZPLZLS-UHFFFAOYSA-N,3,1,0.54,53,207,416.42,2.742,5,0.42,0.7,1.0,0.45069734768007674,0.34371359056952916,0.46796826811047904,0.44843567952847646,0.42770372147214036
EOS-3-32042,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(C#N)cc5F)n34)c2)n1C,UNSHONYFBSMAMC-UHFFFAOYSA-N,3,1,0.366,50,859,411.404,2.968,5,0.449,0.8,1.0,0.19029710095264205,0.3287728736892605,0.4431498869165924,0.4884175176478651,0.36265934480159
EOS-3-32043,Cn1ccnc1-c1ncc(CCc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)cc1F,QDJXKYXXFQVZNZ-UHFFFAOYSA-N,3,1,0.337,85,580,450.428,3.844,5,0.391,0.66,0.594,0.3090432458364745,0.36253512439174834,0.6201939551778494,0.6011496813103968,0.4732305016791173
EOS-3-32044,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5F)n34)n2)cc1,URLNOYDBDQEGIK-UHFFFAOYSA-N,3,1,0.29,39,144,471.406,3.913,6,0.384,0.66,0.572,0.04809471592077308,0.17207525186758962,0.6140943047083819,0.7300304982523473,0.391073692687273
EOS-3-32045,Fc1ncccc1CCOc1cncc2nnc(-c3cc(-c4ccncc4)ccn3)n12,YSNTZVMBCRXTOA-UHFFFAOYSA-N,3,1,0.488,18,840,413.416,3.404,5,0.394,0.83,1.0,0.6799910903981906,0.5639178260571586,0.5569357823315743,0.5412411760674388,0.5855214687135906
EOS-3-32046,CCc1nc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1ncccc1F,BLATXHSSIGWPMZ-UHFFFAOYSA-N,3,1,0.392,31,662,444.474,3.571,5,0.395,0.66,0.809,0.3168819820437256,0.33350181618806113,0.15328798574463712,0.12287540264546638,0.23163679665547254
EOS-3-32047,Clc1cnc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)s1,JBJMDDOQQUEHRS-UHFFFAOYSA-N,3,1,0.5,2,875,422.861,3.332,5,0.424,0.67,1.0,0.38512610513330137,0.5132958673154684,0.2304931121924474,0.2870433829072716,0.3539896168871222
EOS-3-32048,CCn1c(-c2cncc(Cl)c2)nnc1-c1cncc2nnc(-c3cc(F)ccc3Cl)n12,NQVMYVDVSNLDMG-UHFFFAOYSA-N,3,1,0.321,22,252,455.284,4.578,5,0.395,0.71,0.859,0.19849564800219313,0.38190494140223424,0.43201288465492427,0.7086388869851278,0.43026309026111986
EOS-3-32049,Fc1cnc(-c2cnnc(-c3cncc4nnc(-c5cnc(-c6ccccc6F)cn5)n34)c2)cn1,MYDZWKWNDSNMDO-UHFFFAOYSA-N,3,1,0.362,39,72,466.415,3.441,6,0.385,0.6,0.41,0.24790967034473305,0.3385049002809951,0.5130045918717018,0.5861147282571448,0.4213834726886437
EOS-3-32050,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ncn4)n23)ccc1Cl,VQZQHRCCNHNAHA-UHFFFAOYSA-N,3,1,0.453,7,354,448.849,3.718,5,0.4,0.62,1.0,0.7317096155164142,0.8942498800630526,0.6231923788636831,0.6195514358165993,0.7171758275649373
EOS-3-32051,c1ccn2cc(-c3ccc(-c4cncc5nnc(-c6ccc(-c7cncnc7)cn6)n45)nc3)nc2c1,UVAKRDCJQNUCBZ-UHFFFAOYSA-N,3,1,0.267,94,170,468.484,4.02,7,0.381,0.69,1.0,0.08139435268316085,0.11637310670961552,0.4209615516414228,0.4484442464532931,0.2667933143718731
EOS-3-32052,CCc1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)c(-c2nc(C)nn2C)c1,BJBKLHWJPUEKRQ-UHFFFAOYSA-N,3,1,0.291,25,866,477.536,3.315,6,0.371,0.77,1.0,0.14293057364128572,0.09453601535192928,0.06491158933589199,0.05882050579124118,0.09029967103008704
EOS-3-32053,OCc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,CLBAXVXRZLKUDW-UHFFFAOYSA-N,3,1,0.485,65,858,460.885,2.806,5,0.365,0.65,1.0,0.5748235213487767,0.5838444931807278,0.4502604345144267,0.4231204166952231,0.5080122164347886
EOS-3-32054,Cc1cnc(-c2ccc(F)nc2)cc1-c1nnc2cncc(OCc3cc(F)cc(F)c3)n12,UELMUOXYHZJNSD-UHFFFAOYSA-N,3,1,0.506,59,16,448.408,4.553,5,0.367,0.74,1.0,0.795516071550956,0.8207370982112261,0.9188455212117058,0.9013689945857035,0.8591169213898979
EOS-3-32055,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)cn1,ASDDSEJZGAWHFC-UHFFFAOYSA-N,3,1,0.467,16,564,431.406,3.809,5,0.418,0.59,1.0,0.7786220958124872,0.6359656637653348,0.7777654033308203,0.7167089301624289,0.7272655232677678
EOS-3-32056,Cc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4Cl)n23)c1,ROOHIRMSGGDFMA-UHFFFAOYSA-N,3,1,0.446,72,820,447.861,4.323,5,0.37,0.71,1.0,0.8623980535946817,0.8319512027962442,0.7685816599273525,0.7640326228497019,0.806740884791995
EOS-3-32057,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c(F)c2)s1,LGCDGBORAZHKMI-UHFFFAOYSA-N,3,1,0.529,37,832,451.462,3.913,5,0.387,0.67,1.0,0.7040127475841272,0.7802412446028374,0.3776129120690837,0.40703173188952096,0.5672246590363923
EOS-3-32058,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)s1,AAIHAUYMXPREOJ-UHFFFAOYSA-N,3,1,0.537,55,390,420.885,4.542,5,0.415,0.77,1.0,0.6552840792269207,0.7967839764238229,0.6111729833458982,0.6398893153313686,0.6757825885820027
EOS-3-32060,Fc1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)c(F)cn1,JWPZMKWKCAHQLH-UHFFFAOYSA-N,3,1,0.385,46,128,452.812,3.549,5,0.373,0.65,1.0,0.6121324789253649,0.780249811527654,0.7376293605647317,0.7787163319854705,0.7271819957508052
EOS-3-32061,COc1cc(-c2nncc(C)n2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,BAFZTZQXODZRPU-UHFFFAOYSA-N,3,1,0.424,51,196,461.873,2.983,5,0.372,0.64,1.0,0.6492358303063532,0.5361010211774382,0.18193578233157426,0.14271640052086904,0.3774972585840587
EOS-3-32062,OCc1cc(F)ccc1-c1nnc2cncc(-c3cc(-c4ccnc(F)c4)ccc3F)n12,JRTISZMYWHCQGG-UHFFFAOYSA-N,3,1,0.33,45,46,433.393,4.43,5,0.425,0.64,0.996,0.45982968953464465,0.722945651428963,0.9751473511068467,0.977511822356247,0.7838586286066753
EOS-3-32063,Cc1nn(C)cc1-c1cc(COc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)ncn1,WVRUBGZUJDYTNM-UHFFFAOYSA-N,3,1,0.529,4,391,450.865,3.662,5,0.403,0.62,1.0,0.5093893495990679,0.6649904050442054,0.5702830511959427,0.5509560688095402,0.5739047186621891
EOS-3-32064,Cc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cncc(Cl)c5C)c4)n23)nn1,QKMFDWVTDYOKMV-UHFFFAOYSA-N,3,1,0.474,87,349,458.913,3.93,5,0.377,0.68,1.0,0.569477760263176,0.6308769104242341,0.3847919950654513,0.3821790829963676,0.4918314371873072
EOS-3-32065,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)n5)n4C)n23)nc1,QAGJHLWLBUFRMJ-UHFFFAOYSA-N,3,1,0.29,99,754,470.888,2.493,6,0.356,0.65,0.99,0.0907494345829621,0.18077068055650744,0.027388458638886986,0.06040538688232472,0.08982849016517032
EOS-3-32066,N#Cc1n[nH]cc1-c1ccc(-c2cncc3nnc(-c4ccc(F)cc4CO)n23)c(F)c1,WGVDPZBQWRVMSX-UHFFFAOYSA-N,3,1,0.294,96,46,429.39,3.491,5,0.452,0.63,0.369,0.3760965663765335,0.5786615036666438,0.9343944897539579,0.932458364745391,0.7054027311356315
EOS-3-32067,Cc1cc(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ncn4)n23)ccn1,RPJAMGKSDNKBKM-UHFFFAOYSA-N,3,1,0.417,18,194,428.431,3.107,5,0.38,0.66,0.986,0.6552926461517373,0.4952624905763827,0.4396888492906586,0.36928586114728257,0.4898824617915153
EOS-3-32068,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(C#N)c5)n34)ncn2)cn1,DIDDFIXVGIAXEX-UHFFFAOYSA-N,3,1,0.394,46,296,421.424,2.797,5,0.421,0.63,0.998,0.5979113837296964,0.3676067438832157,0.41335412240422176,0.3561184977040642,0.4337476869302995
EOS-3-32069,Cc1nccc(OCc2cncc3nnc(-c4cncc(-c5ccc(C#N)cn5)c4)n23)n1,OUQSRHHBVDYFJT-UHFFFAOYSA-N,3,1,0.318,85,767,421.424,2.797,5,0.421,0.64,1.0,0.4004180659310534,0.3335103831128778,0.3921595504077856,0.30582208210540746,0.35797752038928105
EOS-3-32070,CC#Cc1cc(F)c(COc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)cn1,ABSLSGAAIPULSN-UHFFFAOYSA-N,3,1,0.37,18,711,438.426,3.128,5,0.386,0.62,1.0,0.6037026249057639,0.4903622095812487,0.6584281406346378,0.5576725378658077,0.5775413782468645
EOS-3-32071,Cn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)c2)cn1,MJTGFUXDCAFHDU-UHFFFAOYSA-N,3,1,0.341,3,192,466.455,4.594,6,0.378,0.75,1.0,0.22600404358851348,0.34841683229387976,0.8385820026043451,0.8514495236789802,0.5661131005414296
EOS-3-32072,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1,FKWFLMSREAKLSN-UHFFFAOYSA-N,3,1,0.489,2,905,432.875,3.697,5,0.403,0.62,0.995,0.35985367692413134,0.41959084367075594,0.45026900143924337,0.4420019189911589,0.41792886025632237
EOS-3-32073,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)nc1,PHMVDYYWPICCJE-UHFFFAOYSA-N,3,1,0.298,86,312,422.416,1.624,6,0.416,0.63,0.998,0.00014563772188335277,0.005619902679734083,0.06913508327050921,0.07012884654924269,0.03625736755534233
EOS-3-32074,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)n1,QWICZINWLSUDQG-UHFFFAOYSA-N,3,1,0.489,44,531,463.423,3.991,5,0.376,0.65,0.996,0.8688403810568158,0.7588582002604345,0.747729764923583,0.7536152422726338,0.7822608971283669
EOS-3-32075,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)cc4OC4CCC(O)C4)n23)cc1,NLHASSXWHZVBII-UHFFFAOYSA-N,3,1,0.355,0,862,461.497,3.639,5,0.455,0.67,0.985,0.38754197793160167,0.319734768007676,0.5232934685765198,0.514623740662052,0.43629848879446237
EOS-3-32076,Fc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nn2)c(F)c1F,ZRFRHJNWQLKYMA-UHFFFAOYSA-N,3,1,0.329,10,635,462.355,2.901,6,0.364,0.65,1.0,0.15144609690905353,0.2579586731546844,0.5669076828181756,0.5891988211911452,0.3913778185182647
EOS-3-32077,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c1,JLGGGQJCVQLIGU-UHFFFAOYSA-N,3,1,0.547,35,265,433.422,3.487,5,0.408,0.59,1.0,0.7285998218079638,0.554545610307724,0.6801709958193407,0.6370450962922349,0.6500903810568159
EOS-3-32078,Fc1cc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc(C(F)(F)F)c1,PYZYHHXLZWRAPQ-UHFFFAOYSA-N,3,1,0.416,66,225,423.32,4.873,4,0.44,0.74,0.992,0.5043691316565005,0.7229542183537797,0.9989976697964499,0.9980124734425331,0.8060833733123158
EOS-3-32079,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cc2)nc1,PMQVZWUCJBOCDD-UHFFFAOYSA-N,3,1,0.338,69,894,417.432,4.57,6,0.415,0.79,1.0,0.17874888629977384,0.15633781097937086,0.6141028716331985,0.6137173600164485,0.39072673223219795
EOS-3-32080,Cc1cnnc(-c2cccc(F)c2)c1-c1cncc2nnc(-c3cc(Cl)ccc3F)n12,CIGGLFUDHBYVGS-UHFFFAOYSA-N,3,1,0.372,45,730,434.837,5.155,5,0.392,0.79,1.0,0.31689054896854224,0.5639263929819752,0.897822287711603,0.9427558083750257,0.6803487595092865
EOS-3-32081,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nc2F)cc1=O,LRQBDFFFMZKMFG-UHFFFAOYSA-N,3,1,0.54,59,294,465.395,2.943,5,0.368,0.65,0.986,0.7040213145089439,0.5639349599067919,0.7708261942293194,0.7460249468850662,0.6962018538825303
EOS-3-32082,Cc1nn(C)cc1-c1ncc(Cl)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,ZTDCOQXNNZDZMT-UHFFFAOYSA-N,3,1,0.549,4,32,467.32,4.176,5,0.383,0.74,1.0,0.5505619902679734,0.7136591049276951,0.3324566513604277,0.4386522513878418,0.5088324994859845
EOS-3-32083,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)nc1F,FIQLTZNISRUGQE-UHFFFAOYSA-N,3,1,0.415,46,223,452.812,3.549,5,0.373,0.63,0.997,0.6553012130765541,0.6895774792680419,0.5634123774929751,0.6279384552121171,0.6340573812624221
EOS-3-32084,Fc1cc(F)cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)ncn2)c1,MBTRXSDGSRGCBN-UHFFFAOYSA-N,3,1,0.494,13,573,438.344,4.597,5,0.382,0.72,1.0,0.7897847988486053,0.7588667671852511,0.9630337194160784,0.9684651497498458,0.8700376087999451
EOS-3-32085,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)ncn2)c1,WPUQRXRLYVVSSX-UHFFFAOYSA-N,3,1,0.433,44,488,420.383,2.839,5,0.431,0.63,0.431,0.6037111918305805,0.4952710575011994,0.6257967240079501,0.6042252073195805,0.5822510451648276
EOS-3-32086,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5cnc(Cl)nc5)n34)cn2)n1C,CLRNIYXVRVSERE-UHFFFAOYSA-N,3,1,0.299,85,976,418.852,2.324,5,0.408,0.66,0.926,0.15942190391337124,0.2227486121581797,0.044470906723322594,0.06335240901925844,0.122498457953533
EOS-3-32087,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(O)F)cc4)n23)sn1,ABRFQNGRHMHHJY-UHFFFAOYSA-N,3,1,0.523,36,250,438.448,2.583,5,0.43,0.61,0.999,0.6462288396957029,0.49527962442601603,0.3358748543622781,0.3241210335138099,0.45037608799945167
EOS-3-32088,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)n1,XSGDUMRVOXQYAB-UHFFFAOYSA-N,3,1,0.378,31,330,463.864,3.156,5,0.374,0.63,0.995,0.6404375985196354,0.5935508189980124,0.20929854019601124,0.26052018367486807,0.4259517853471318
EOS-3-32089,Cc1ccc(-c2nnc3cncc(-c4cc(-c5nc(C(F)(F)F)nn5C)nn4C)n23)nn1,KWQOVGFPMMBQDX-UHFFFAOYSA-N,3,1,0.25,50,542,441.381,2.105,5,0.418,0.57,0.779,0.1295233363032006,0.14849050784730314,0.12907785621273388,0.0761685285449935,0.12081505722705778
EOS-3-32090,Cc1ccc(-c2nnc3cncc(OCc4cncnc4-c4cccc(F)c4F)n23)cn1,JEXYPSAVLHSMNO-UHFFFAOYSA-N,3,1,0.473,59,109,431.406,3.809,5,0.418,0.62,1.0,0.8599821807963813,0.7802583784524707,0.7567507367555343,0.7141902542663285,0.7777953875676786
EOS-3-32091,c1ccc(-c2ncncc2-c2nnc3cncc(-c4csc(-c5ncccn5)n4)n23)nc1,DCXLZCDUUXNULA-UHFFFAOYSA-N,3,1,0.278,76,557,436.464,3.224,6,0.41,0.6,1.0,0.04661263792748955,0.10750633952436434,0.05337194160784045,0.07412103351380989,0.07040298814337606
EOS-3-32092,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ncncc3F)n12,HJXSXYHJAWAROM-UHFFFAOYSA-N,3,1,0.506,37,490,437.435,3.605,5,0.401,0.65,1.0,0.8012130765540402,0.8054108697142074,0.5401103419916387,0.567284627510109,0.6785047289424989
EOS-3-32093,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cn2)c1,JBTHQKDGYMTLRJ-UHFFFAOYSA-N,3,1,0.461,55,823,420.383,2.839,5,0.431,0.64,1.0,0.6522685216914537,0.6026060585292303,0.5301127407305873,0.4854961962853814,0.5676208793091632
EOS-3-32094,COc1nc(-c2ccc(Cl)cc2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,VLVXWNICQUQQKH-UHFFFAOYSA-N,3,1,0.612,11,201,458.909,4.532,5,0.354,0.75,1.0,0.7786306627373039,0.8011616750051401,0.6021520115139469,0.5736498526488931,0.688898550476321
EOS-3-32095,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cncs6)cn5)n34)n2)nn1,CXGFWSWASDMTAG-UHFFFAOYSA-N,3,1,0.274,99,952,460.874,2.396,6,0.385,0.6,0.601,0.012344938660818313,0.11060756630799808,0.02739702556370365,0.07013741347405936,0.05512173600164485
EOS-3-32096,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)n[nH]1,CXUUOWSDEGYVOR-UHFFFAOYSA-N,3,1,0.494,20,658,417.408,2.435,5,0.447,0.68,1.0,0.6737715029812898,0.664998971969022,0.18840381056815844,0.17391714070317318,0.42527285655541086
EOS-3-32097,Cc1nc(-c2nnc3cncc(OCc4cn(-c5ccccc5Cl)nn4)n23)n(C)n1,HKNNBMKSUUYWCL-UHFFFAOYSA-N,3,1,0.505,36,105,422.84,2.041,5,0.422,0.64,1.0,0.05284079226920704,0.17208381879240628,0.01853025837845247,0.041386813789322185,0.07121042080734699
EOS-3-32098,Cc1csc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,QEQWPHQPBNTKAM-UHFFFAOYSA-N,3,1,0.549,4,32,435.9,4.246,5,0.407,0.72,1.0,0.7870690836817216,0.8670927283942156,0.18841237749297512,0.27537523130697006,0.5294873552189706
EOS-3-32100,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)nn1,RGBCGSAGGJQMCR-UHFFFAOYSA-N,3,1,0.304,76,272,437.492,3.772,6,0.414,0.63,0.924,0.04528476458090604,0.041412514563772186,0.11195257350421493,0.14037763004591872,0.08475687067370297
EOS-3-32101,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nc1,OYDDUVJCECEQEB-UHFFFAOYSA-N,3,1,0.319,38,983,436.504,4.377,6,0.408,0.64,1.0,0.14858474402028649,0.11638167363443218,0.3885443081351518,0.3756596532108834,0.25729259475018845
EOS-3-32102,CC(C)n1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)cn1,ZPONAZWTAOYVAT-UHFFFAOYSA-N,3,1,0.25,94,165,460.505,4.15,6,0.377,0.68,0.725,0.06168185868000822,0.0317490233705709,0.4466623260914262,0.33063189637447743,0.2176812761291207
EOS-3-32103,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)ccn1,IFHFCUPXVPPMJH-UHFFFAOYSA-N,3,1,0.523,11,503,448.408,4.287,5,0.361,0.71,1.0,0.7699523678980194,0.7321636625316976,0.9141165787129052,0.9082482352134877,0.8311202110890274
EOS-3-32104,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)cn1,CDJDGCLLVLEIID-UHFFFAOYSA-N,3,1,0.284,70,812,421.428,2.434,6,0.46,0.61,1.0,0.10282879857446371,0.06755020217942567,0.1562435748063875,0.15010108971283667,0.1191809163182784
EOS-3-32105,Cc1cc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)n4)n23)ccc1Cl,MGDNMLZRCDUQNH-UHFFFAOYSA-N,3,1,0.549,90,281,435.702,4.471,4,0.34,0.81,1.0,0.8712134192310328,0.9533616612980604,0.7118086491672949,0.8144232746213419,0.8377017510794325
EOS-3-32106,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)nn2C)cn1,RKARAEOWWHAGLO-UHFFFAOYSA-N,3,1,0.404,95,956,438.373,3.5,5,0.396,0.66,1.0,0.3962973750942362,0.4009663491193201,0.6637996024946885,0.6223613871564663,0.5208561784661777
EOS-3-32107,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cnc(C(C)(C)O)nc4)n23)cn1,CZXUTYYIJWFXCQ-UHFFFAOYSA-N,3,1,0.293,50,489,413.445,2.271,5,0.476,0.71,1.0,0.16770612021108902,0.05602768830100747,0.11796655472551573,0.041395380714138855,0.09577393598793776
EOS-3-32108,Cn1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nn2)n1,GDLOFJACMXUDGH-UHFFFAOYSA-N,3,1,0.384,14,740,411.429,1.671,5,0.465,0.71,1.0,0.06710472208895894,0.03772873689260503,0.10415667192104722,0.06336097594407511,0.06808777671167157
EOS-3-32109,Cc1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)on1,GZEZLWXPQZEITE-UHFFFAOYSA-N,3,1,0.494,27,69,435.394,4.061,5,0.393,0.7,1.0,0.5193269823864026,0.5406243574806388,0.6316393667329175,0.4884260845726818,0.5450041977931602
EOS-3-32110,Fc1cncc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)c1F,ZXKRDXHGIJOJCY-UHFFFAOYSA-N,3,1,0.483,16,817,417.379,3.501,5,0.432,0.67,1.0,0.7786392296621205,0.6555410869714208,0.8516037283256802,0.8283787951476937,0.7785407100267288
EOS-3-32111,Cn1ccnc1-c1cnnc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,FARUXTPBHSCKHS-UHFFFAOYSA-N,3,1,0.419,53,182,419.836,2.609,5,0.4,0.68,1.0,0.3168991158933589,0.362543691316565,0.18523404838599136,0.21916763758481256,0.27096112329518196
EOS-3-32112,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCCc3cc(C#N)ncn3)n12,QHWVGKJNFLGNFM-UHFFFAOYSA-N,3,1,0.464,15,638,454.454,1.879,5,0.358,0.64,1.0,0.34618943184154616,0.18489137139332465,0.2093071071208279,0.12720169967788364,0.2168974025083956
EOS-3-32113,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ncc(F)cn1,ALTMSCIWSSIBNL-UHFFFAOYSA-N,3,1,0.494,16,375,435.444,3.432,5,0.4,0.64,1.0,0.8195891302857926,0.6699934891371393,0.36963710506476594,0.2812607086560208,0.5351201082859297
EOS-3-32114,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)c(F)c1,ZXHSJVCHEFYDQR-UHFFFAOYSA-N,3,1,0.303,25,219,468.431,3.384,6,0.362,0.66,1.0,0.21482420670276198,0.3437221574943458,0.5266517031046536,0.5831848399698444,0.4170957268179014
EOS-3-32115,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)nc2C)nn1,GVYUNTWUGNULGJ-UHFFFAOYSA-N,3,1,0.427,31,690,431.485,2.733,5,0.4,0.65,1.0,0.40042663285587005,0.2786906312110205,0.023284901651703105,0.016962511137002263,0.179841169213899
EOS-3-32116,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cnn(C)c6)cn5)n34)cn2)no1,BYWHZFOLQBGQBF-UHFFFAOYSA-N,3,1,0.389,80,855,467.453,2.314,6,0.355,0.7,1.0,0.3294496607497773,0.2530840929340004,0.0629668974025084,0.034464738537454596,0.16999134740593516
EOS-3-32117,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cncc(-c5cn(C)cn5)c4)n23)c1,QNNOLBHRJQVZAV-UHFFFAOYSA-N,3,1,0.253,64,449,445.49,4.019,6,0.404,0.64,0.995,0.0857463504900281,0.019481187033102598,0.3396014666575286,0.33711705846069495,0.19548651566033856
EOS-3-32118,Cc1c(F)cccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nn3)n12,RGJKOURQUJYCRL-UHFFFAOYSA-N,3,1,0.5,19,691,427.443,3.712,5,0.408,0.63,0.97,0.769960934822836,0.7182681104790625,0.457319580563361,0.4515626070865602,0.599277808237955
EOS-3-32119,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)cn2)nc1,BGKPREGDFONIGE-UHFFFAOYSA-N,3,1,0.527,65,263,450.384,3.077,5,0.389,0.6,1.0,0.9100130217257213,0.9233945582893565,0.6316479336577342,0.6251456377218834,0.7725502878486739
EOS-3-32120,COc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCc3cc(C)nn3C)n12,PADSQPYWLUHKLJ-UHFFFAOYSA-N,3,1,0.415,92,662,447.434,2.412,5,0.387,0.61,1.0,0.385134672058118,0.35308580631896375,0.08710849153587828,0.04260331711328901,0.21698307175656228
EOS-3-32121,FCc1cc(F)cc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ncn4)n23)c1,RSBVXRSTAJRHNI-UHFFFAOYSA-N,3,1,0.419,44,488,449.396,3.97,5,0.387,0.62,0.903,0.6890120622301419,0.5935593859228291,0.8282845589747104,0.809857103694058,0.7301782777054349
EOS-3-32122,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1C,FGEDRDPQOXOAHA-UHFFFAOYSA-N,3,1,0.378,96,243,435.413,4.639,5,0.411,0.7,0.967,0.23138407237338085,0.4330237817832911,0.7638441505037352,0.7510794325269001,0.5448328592968268
EOS-3-32123,Fc1ccc(-c2nnc3cncc(Oc4ncc(-c5cccc(Cl)c5)cc4F)n23)cn1,HNIKCXUUNOZXRV-UHFFFAOYSA-N,3,1,0.414,13,417,436.809,4.972,5,0.37,0.81,1.0,0.8064731683914742,0.8834812555685011,0.9160955383455555,0.9324669316702077,0.8846292234939346
EOS-3-32124,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)n1,QVDDMWVBIIJZAU-UHFFFAOYSA-N,3,1,0.517,4,820,413.416,3.67,5,0.434,0.83,1.0,0.7286083887327804,0.6994637105064766,0.5830306353231444,0.5278168048797204,0.6347298848605304
EOS-3-32125,Cc1ccnc(-c2ncc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cn2)c1F,WQDAZBQLOVSDDY-UHFFFAOYSA-N,3,1,0.548,73,577,449.396,3.948,5,0.401,0.62,1.0,0.9683109451031457,0.9319529161812076,0.7867435405386882,0.7665255979713522,0.8633832499485985
EOS-3-32126,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)n1,JIKUCYVLRADVNC-UHFFFAOYSA-N,3,1,0.345,76,750,465.908,4.364,6,0.381,0.7,0.994,0.13755054485641835,0.2431378932218491,0.3885528750599685,0.5045147693783839,0.31843902062915497
EOS-3-32127,Cc1ccc(-c2nnc3cncc(Cn4ccc(-c5cc(F)c(F)cc5F)n4)n23)cc1,FKWKBQRLFMBFFH-UHFFFAOYSA-N,3,1,0.381,45,358,420.398,4.429,5,0.404,0.77,1.0,0.37610513330135015,0.4770149407168803,0.9075371804537044,0.9137996024946885,0.6686142142416558
EOS-3-32128,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)cc2)c[nH]1,CPDRMSIJULKFNU-UHFFFAOYSA-N,3,1,0.32,42,762,421.424,3.602,6,0.458,0.62,1.0,0.242392570762799,0.1336268932903845,0.3100798437392913,0.27841648961688714,0.2411289493523405
EOS-3-32129,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cnccn1,FFTWHYUBCVRVER-UHFFFAOYSA-N,3,1,0.451,7,690,444.886,3.833,5,0.389,0.63,0.998,0.5043776985813172,0.5732729079569597,0.27359331094510314,0.2932201357000891,0.41111601329586733
EOS-3-32130,c1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cs2)ccn1,PMCKLMUNGQGSQH-UHFFFAOYSA-N,3,1,0.307,94,723,434.488,4.434,6,0.405,0.7,0.814,0.06169042560482489,0.1563463779041875,0.5401189089164553,0.5347474470564046,0.32322578987046807
EOS-3-32131,OCc1cc(COc2cncc3nnc(-c4n[nH]c(-c5ccc(F)cc5)n4)n23)ccn1,OQSJWIVLEXLFFS-UHFFFAOYSA-N,3,1,0.467,4,32,418.392,2.182,5,0.43,0.72,0.999,0.47944794736481394,0.4375214173120417,0.36225241587279833,0.3692944280720992,0.41212905215543827
EOS-3-32132,CCn1nc(-c2nc(C)nn2C)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,KYPHBDNCXRXOAH-UHFFFAOYSA-N,3,1,0.338,93,774,461.533,4.446,6,0.377,0.75,1.0,0.09535844013432938,0.05603625522582414,0.08711705846069495,0.13363546021520115,0.0930368035090124
EOS-3-32133,Cn1cc(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)c(F)n1,LAHNVQAZPPELBE-UHFFFAOYSA-N,3,1,0.547,15,438,415.432,3.347,5,0.423,0.75,1.0,0.4794565142896306,0.49037077650606536,0.4817267493660476,0.47341683229387976,0.48124271811390584
EOS-3-32134,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)ccn1,JUKWYHPGIBRNSW-UHFFFAOYSA-N,3,1,0.408,18,194,448.849,3.452,5,0.364,0.63,0.9,0.7286169556575971,0.6845315605510246,0.5798351723665273,0.6164844767322322,0.6523670413268453
EOS-3-32135,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)c1,JEZRIMRQEBCNED-UHFFFAOYSA-N,3,1,0.387,2,511,452.812,3.549,5,0.399,0.61,1.0,0.7072253443903777,0.6359742306901515,0.807458364745391,0.8441590706599958,0.748704252621479
EOS-3-32136,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cnncc5F)n34)c2)cn1,XZTLKXYMRXAURX-UHFFFAOYSA-N,3,1,0.571,37,847,434.41,2.882,5,0.405,0.61,1.0,0.55057055719279,0.5545541772325406,0.6664210814885888,0.6310139812213008,0.6006399492838052
EOS-3-32137,Cc1nccc(CCOc2cncc3nnc(-c4cccc(-c5nccn5C)c4)n23)c1F,VDIQUUZMMPJJKI-UHFFFAOYSA-N,3,1,0.545,15,921,429.459,3.656,5,0.41,0.62,1.0,0.5979199506545131,0.5087039956137345,0.4952881913508327,0.4037677335343705,0.5014199677883627
EOS-3-32138,Fc1cncc(-c2nnc3cncc(OCc4cc(-c5ccc(C(F)(F)F)nn5)no4)n23)c1,LTQMVIJGXQFJNQ-UHFFFAOYSA-N,3,1,0.441,27,52,458.335,3.368,5,0.365,0.7,1.0,0.7553885957096841,0.7460934822835995,0.8545250496881639,0.7460335138098828,0.7755101603728326
EOS-3-32139,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nncnn5)c4)n23)cc1,MTBJZPLTWOZABJ-UHFFFAOYSA-N,3,1,0.477,56,415,463.465,2.413,6,0.362,0.62,1.0,0.5168597080392022,0.25309265985881707,0.17236652731135632,0.14524364334178602,0.27189063463779045
EOS-3-32140,Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5cnc(F)cn5)c4)n23)cn1,ZQPZOUNZNKCEOM-UHFFFAOYSA-N,3,1,0.462,55,283,432.394,3.204,5,0.39,0.62,1.0,0.827522102666027,0.7502827085189501,0.5892844904393119,0.5076930984853677,0.6686956000274141
EOS-3-32141,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cc(Cl)ncn6)no5)n34)cc2)nn1,GMLYGTAGIRDNKX-UHFFFAOYSA-N,3,1,0.301,98,167,457.845,2.747,6,0.363,0.65,1.0,0.13233328764306765,0.22275717908299636,0.10660681241861421,0.16088684805702144,0.1556460318004249
EOS-3-32142,Cn1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)nn2)nn1,DULJIVDJCURMML-UHFFFAOYSA-N,3,1,0.282,99,286,439.407,0.024,6,0.361,0.58,1.0,0.049713864711123296,0.02409019258446988,0.0028013844150503735,0.0014563772188335275,0.019515454732369267
EOS-3-32143,COCc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(C)nn5)ncn4)n23)n1,HGZVOOAAJDSPDE-UHFFFAOYSA-N,3,1,0.359,31,587,442.443,1.862,5,0.365,0.6,0.861,0.2531354944829004,0.07818175587691042,0.04296312795558906,0.022256870673702966,0.09913431224727572
EOS-3-32144,Fc1cc2cc(-c3cncc4nnc(-c5cnc(-c6cncs6)nc5)n34)nc(F)c2cn1,UCGKLPAVJIBJKB-UHFFFAOYSA-N,3,1,0.312,86,989,445.418,3.593,6,0.38,0.65,0.999,0.20674559660064423,0.4056181892947707,0.44315845384140906,0.5045233363032006,0.3900113940100062
EOS-3-32145,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)cn2)cn1,SAELIKZTAZLSSE-UHFFFAOYSA-N,3,1,0.456,13,995,437.385,4.279,5,0.382,0.71,1.0,0.46467000205606196,0.5838530601055445,0.8481169899252964,0.7991827153724899,0.6739556918648482
EOS-3-32146,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1F,CITZRVQGTWGYRR-UHFFFAOYSA-N,3,1,0.512,13,145,422.37,4.401,5,0.429,0.69,1.0,0.7814834487012542,0.8207456651360427,0.9179545610307724,0.9082568021383044,0.8571101192515934
EOS-3-32147,CCn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ncccn4)n23)nc(C)n1,DHJFTKKLGWUYFF-UHFFFAOYSA-N,3,1,0.379,31,851,429.448,1.58,5,0.375,0.6,1.0,0.17302618052223973,0.011385443081351518,0.0035381399492838052,0.0012507710232335,0.047300133644027145
EOS-3-32148,OCc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cn1,NSJJAKDCVLBNSV-UHFFFAOYSA-N,3,1,0.631,84,884,458.909,4.016,5,0.393,0.7,1.0,0.6582568021383044,0.7043639915016106,0.7589096018093345,0.7536238091974505,0.718788551161675
EOS-3-32149,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)nn1,TXVSRTDFPQTRKB-UHFFFAOYSA-N,3,1,0.383,36,706,438.373,3.851,5,0.411,0.62,0.999,0.5531235007881571,0.6555496538962374,0.7638527174285519,0.7056747309985607,0.6695501507778767
EOS-3-32150,COc1nc(-c2cccs2)ccc1-c1nnc2cncc(OCc3ccnc(C)n3)n12,SBYYMFJQBOYAOG-UHFFFAOYSA-N,3,1,0.467,24,710,431.481,3.601,5,0.402,0.63,0.999,0.3737149612774998,0.31974333493249263,0.13192207525186758,0.0684754300596258,0.22346395038037145
EOS-3-32151,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5ccccc5F)n34)nc(C)c2F)n1,VEJAANGHERMJHL-UHFFFAOYSA-N,3,1,0.404,46,223,446.421,3.512,5,0.404,0.56,1.0,0.6676118840381057,0.5501936125008567,0.4320214515797409,0.4420104859159756,0.5229593585086697
EOS-3-32152,Cc1cc(-c2nnc3cncc(OCc4cc(-c5nncs5)ccn4)n23)c(F)cc1Cl,RLDXTULYHABFOH-UHFFFAOYSA-N,3,1,0.506,4,712,453.89,4.385,5,0.39,0.73,1.0,0.6121410458501816,0.7676735658967857,0.6553868823247208,0.6685713796175725,0.6759432184223152
EOS-3-32153,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1,CKZSBJMLTRLZOU-UHFFFAOYSA-N,3,1,0.548,26,265,449.877,4.001,5,0.389,0.61,1.0,0.9115979028168049,0.8090089781372078,0.7685902268521692,0.7562195874169009,0.8113541738057706
EOS-3-32154,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)s1,GGMQADMEBAJYMM-UHFFFAOYSA-N,3,1,0.549,2,419,435.9,4.246,5,0.407,0.69,1.0,0.4069974641902543,0.5313292440545542,0.4573281474881776,0.4609005551367281,0.4641388527174286
EOS-3-32155,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5csnn5)n4)n23)ccc1Cl,DSAYCZHCNCYMNA-UHFFFAOYSA-N,3,1,0.506,4,268,435.9,4.246,5,0.407,0.69,0.999,0.4389178260571585,0.6359827976149681,0.47124940031526286,0.5077016654101844,0.5134629223493934
EOS-3-32156,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(C5CC5)cc4F)n23)c1,OLANFBXALBBMQK-UHFFFAOYSA-N,3,1,0.505,36,677,442.458,3.577,6,0.397,0.64,1.0,0.5531320677129737,0.5686039339318758,0.37762147899390036,0.4135854293742718,0.4782357275032554
EOS-3-32157,Cc1nncc(Cl)c1CCOc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,YJBKRNCRYRASPB-UHFFFAOYSA-N,3,1,0.523,65,324,445.874,3.017,5,0.388,0.59,1.0,0.6769755328627236,0.694400657939826,0.18524261531080805,0.22490747721197998,0.44538157083133434
EOS-3-32158,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)[nH]c(=O)c2)cn1,WXBXQULZFXRNTE-UHFFFAOYSA-N,3,1,0.474,87,796,426.44,2.262,5,0.438,0.6,0.818,0.30392879172092385,0.08177129737509424,0.18842094441779178,0.1452522102666027,0.17984331094510314
EOS-3-32159,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)no2)cn1,PIXODVUMZDEUSC-UHFFFAOYSA-N,3,1,0.494,4,390,430.815,3.34,5,0.385,0.68,1.0,0.5375659653210884,0.6944092248646426,0.5892930573641286,0.5736584195737098,0.5987316667808924
EOS-3-32160,OCc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cc2)c[nH]1,HFMBFSNEKIBQLD-UHFFFAOYSA-N,3,1,0.308,69,958,435.447,3.996,6,0.42,0.68,1.0,0.24240113768761565,0.18920910150092524,0.6287437461448838,0.5892073881159618,0.41239034336234665
EOS-3-32161,Cc1cncc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5F)n34)cn2)n1,FPRAATBCCVVQHG-UHFFFAOYSA-N,3,1,0.28,39,972,468.431,3.478,6,0.387,0.63,0.996,0.023164964704269757,0.11979130971146597,0.4030309780001371,0.467248646425879,0.25330897471043795
EOS-3-32162,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnn(C)c5)c4)n23)cn1,VCNLWVZPRCCDRP-UHFFFAOYSA-N,3,1,0.326,82,204,410.441,2.613,5,0.489,0.74,1.0,0.09075800150777877,0.04860016448495648,0.2736018778699198,0.1905798094715921,0.15088496333356177
EOS-3-32163,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cn5)n34)cn2)nc1,SBXHJYUJINNLPH-UHFFFAOYSA-N,3,1,0.292,76,191,418.424,3.095,6,0.463,0.65,1.0,0.137559111781235,0.13731067096155164,0.2341340552395312,0.24847508738263313,0.18936973134123775
EOS-3-32164,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(F)cn5)cn4)n23)cn1,SMYJHYVJLCSGFG-UHFFFAOYSA-N,3,1,0.447,51,48,415.392,2.46,5,0.427,0.7,1.0,0.658265369063121,0.7136676718525118,0.25528579261188405,0.19870125419779316,0.45648002193132753
EOS-3-32165,CCOc1cnc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc1-c1ncccn1,WRZWPRNSFHYPAN-UHFFFAOYSA-N,3,1,0.385,51,242,461.873,3.064,5,0.356,0.64,0.997,0.5804177232540607,0.6555582208210541,0.07980090466726064,0.09234288259886231,0.3520299328353095
EOS-3-32166,Cc1cc(-c2nnc3cncc(OCc4ccnc(-c5cn(C)c(C)n5)c4)n23)ccc1Cl,PMPOFLAHJSFJII-UHFFFAOYSA-N,3,1,0.517,16,97,445.914,4.436,5,0.398,0.71,1.0,0.6432561167843192,0.7321722294565143,0.5736241518744432,0.507710232335001,0.6141906826125694
EOS-3-32167,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)cc2)cn1,BIKXOWSDLMOILR-UHFFFAOYSA-N,3,1,0.5,37,563,466.839,3.591,5,0.35,0.69,1.0,0.9225721335069563,0.9392690699746419,0.6410972517305188,0.6715441025289562,0.7936206394352684
EOS-3-32168,Cc1cncc(CCOc2cncc3nnc(-c4cc(-c5cc(F)ccn5)nc(C)n4)n23)n1,ANNPIBBEORKWOC-UHFFFAOYSA-N,3,1,0.381,31,330,443.446,2.811,5,0.39,0.6,1.0,0.5694863271879926,0.41495613734493864,0.11196114042903159,0.10885991364539785,0.30131587965184015
EOS-3-32169,Cc1nnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1CCc1cccc(F)c1,PAZOYDFDTDHKJE-UHFFFAOYSA-N,3,1,0.578,43,612,463.904,4.305,5,0.358,0.78,1.0,0.7403365088067987,0.8011702419299568,0.310088410664108,0.4976355287505997,0.5873076725378658
EOS-3-32170,Cn1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c2)c1,SAUVIXHWRQXLRB-UHFFFAOYSA-N,3,1,0.494,16,55,419.395,3.444,5,0.406,0.69,1.0,0.6769840997875403,0.5452676307312727,0.805342334315674,0.7510879994517168,0.694670516071551
EOS-3-32171,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5cc(Cl)ccn5)c4)n23)n(C)n1,KFPJNSPXSDCAHJ-UHFFFAOYSA-N,3,1,0.512,24,486,432.875,3.523,5,0.419,0.62,1.0,0.3875505448564183,0.4009749160441368,0.3177815091494757,0.31808991844287576,0.3560992221232267
EOS-3-32172,c1cnnc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5cnccn5)n34)n2)c1,OLQASNDMMPSKTE-UHFFFAOYSA-N,3,1,0.293,76,944,430.435,3.162,6,0.415,0.57,0.996,0.07687958330477691,0.08177986429991091,0.17557055719279008,0.21072921664039476,0.13623980535946817
EOS-3-32173,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)cc4F)n23)c1F,ZEIVRTWJNPUFGC-UHFFFAOYSA-N,3,1,0.528,37,353,447.449,3.795,5,0.394,0.64,1.0,0.8038602563223906,0.7368326365567816,0.6553954492495374,0.5766739771091769,0.6931905798094715
EOS-3-32174,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)c4)n23)cc1F,WADCRGUGABWGNF-UHFFFAOYSA-N,3,1,0.377,14,916,483.482,4.01,6,0.392,0.8,1.0,0.22310842300047976,0.2736018778699198,0.6287523130697005,0.6974333493249263,0.4557239908162566
EOS-3-32175,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cc2)s1,GBVLFFIASWCZGU-UHFFFAOYSA-N,3,1,0.512,72,909,435.9,4.246,5,0.381,0.7,1.0,0.6345007196216846,0.7461020492084162,0.40678329106983757,0.42943424028510724,0.5542050750462615
EOS-3-32176,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)s1,FJBWPDMQKTUDGG-UHFFFAOYSA-N,3,1,0.483,72,909,435.9,4.246,5,0.381,0.7,1.0,0.5777191419368104,0.7321807963813309,0.38480056199026796,0.4166952230827222,0.5278489308477828
EOS-3-32177,Cc1cnc(-c2cc(F)c(Cl)c(COc3cncc4nnc(-c5ccc(C)nc5)n34)c2)nc1,PSNZSBKFPDIJNQ-UHFFFAOYSA-N,3,1,0.506,16,772,461.888,4.632,5,0.376,0.72,1.0,0.8442447399081625,0.8726612295250497,0.7477383318483997,0.7002433006647933,0.7912219004866013
EOS-3-32178,Fc1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5F)n34)nn2)ccn1,CZJHZGCKWTZVRA-UHFFFAOYSA-N,3,1,0.337,64,449,465.427,4.046,6,0.359,0.69,0.867,0.22893393187581385,0.32878144061407716,0.540127475841272,0.6370536632170516,0.43372412788705367
EOS-3-32179,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cn2)cs1,YLSZHPBKUVZJRE-UHFFFAOYSA-N,3,1,0.473,58,579,416.47,3.03,5,0.416,0.76,1.0,0.5018161880611336,0.4812898362003975,0.0590004112123912,0.04654410252895621,0.2721626345007196
EOS-3-32180,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c(F)c1,ZBZYXBBQJAXGOJ-UHFFFAOYSA-N,3,1,0.646,43,520,451.412,4.066,5,0.387,0.66,1.0,0.8811510520183675,0.8726697964498663,0.8189980124734425,0.8122387087930917,0.846264392433692
EOS-3-32181,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)c2)nc1,AQFPBELEROCOMJ-UHFFFAOYSA-N,3,1,0.489,59,666,450.836,4.759,5,0.384,0.71,1.0,0.7842419984922212,0.8284473305462271,0.8978308546364198,0.9138081694195052,0.8560820882735932
EOS-3-32182,Cn1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)c2)n1,KJIQBFVKGXHBCC-UHFFFAOYSA-N,3,1,0.511,15,561,420.86,4.06,5,0.412,0.72,1.0,0.6178123500788157,0.6454663833870194,0.5634209444177918,0.5446165444452059,0.5928290555822082
EOS-3-32183,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)nn1C,LXYSMYQZNPOMCN-UHFFFAOYSA-N,3,1,0.453,95,998,422.399,2.783,5,0.433,0.62,1.0,0.3461979987663628,0.2685473922280858,0.530121307655404,0.5146323075868686,0.4148747515591803
EOS-3-32184,Fc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)c1,YFGVCLSBVNCCNC-UHFFFAOYSA-N,3,1,0.547,87,419,413.416,3.404,5,0.421,0.79,1.0,0.722483037488863,0.7717856898087863,0.5702916181207593,0.5766825440339935,0.6603107223631006
EOS-3-32185,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cc(C(F)(F)F)ccc5F)n34)cc2)nn1,SNYRQQTWFGTSBH-UHFFFAOYSA-N,3,1,0.333,96,121,451.387,4.777,5,0.368,0.77,1.0,0.4157956959769721,0.670002056061956,0.9740593516551299,0.9527105750119937,0.7531419196765129
EOS-3-32186,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)ncn5)ncn4)n23)nn1,ZOWXGBOFDQJKKU-UHFFFAOYSA-N,3,1,0.394,53,587,432.835,2.369,5,0.381,0.59,0.797,0.4252707148242067,0.5177335343705024,0.13494619971215133,0.1427249674456857,0.3051688540881365
EOS-3-32187,Cn1nnnc1-c1cc(F)c(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cn1,AYMXCOQSQFBQNL-UHFFFAOYSA-N,3,1,0.301,39,972,469.419,2.779,6,0.383,0.61,1.0,0.1844287574532246,0.2685559591529025,0.20931567404564458,0.34342231512576243,0.2514306764443835
EOS-3-32188,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cccnc5F)n34)c2)s1,DEMOKSWHUBZGEO-UHFFFAOYSA-N,3,1,0.472,72,628,419.445,3.731,5,0.401,0.74,1.0,0.6737800699061065,0.5786700705914605,0.35486772668083066,0.3306404632992941,0.48448958261942293
EOS-3-32189,FC(F)c1cnc(-c2nnc3cncc(OCc4cnc(-n5cnnn5)cc4Cl)n23)cn1,OXOXWPDSCSLEMJ-UHFFFAOYSA-N,3,1,0.371,7,828,457.792,2.122,5,0.373,0.63,0.982,0.3064217668425742,0.3145003769446919,0.409995887876088,0.41991638681378934,0.36270860461928583
EOS-3-32190,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5nnc(C)s5)c4)n23)c(F)c1,DTMQFRNHAVVKDN-UHFFFAOYSA-N,3,1,0.529,43,483,450.474,4.784,5,0.383,0.76,1.0,0.737389486669865,0.7802669453772874,0.7015968747858269,0.6804280035638407,0.724920327599205
EOS-3-32191,Cc1nc(-c2ncon2)ccc1-c1nnc2cncc(OCc3cnc(Cl)c(F)c3)n12,SGMVNGBRZYTRJL-UHFFFAOYSA-N,3,1,0.467,55,242,438.81,3.311,5,0.381,0.69,1.0,0.7524844081968337,0.6359913645397848,0.3959204304023028,0.4070402988143376,0.5478591254883147
EOS-3-32192,Cc1cc(OCc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccn4)n23)ccn1,KXHMQUUYESOFTF-UHFFFAOYSA-N,3,1,0.366,14,189,412.428,4.275,5,0.429,0.87,1.0,0.47946508121444725,0.5406329244054554,0.7402080049345487,0.7141988211911452,0.6186262079363991
EOS-3-32193,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nn2)c(F)cn1,DYLSTVOGQPXOJE-UHFFFAOYSA-N,3,1,0.489,73,756,470.802,3.688,5,0.358,0.71,1.0,0.919950654513056,0.9544239599753273,0.8033976423822905,0.8546963881844973,0.8831171612637927
EOS-3-32194,Clc1cccc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccc4Cl)n23)n1,VZKZQBYQEJHDJD-UHFFFAOYSA-N,3,1,0.529,4,31,450.289,4.529,5,0.364,0.74,1.0,0.6462374066205195,0.8011788088547734,0.6690682612569392,0.7432749640189158,0.714939860187787
EOS-3-32195,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ccc5F)cn4)n23)cn1,ADJTYCKTLFORKK-UHFFFAOYSA-N,3,1,0.575,4,92,430.418,4.414,5,0.411,0.68,1.0,0.7436433417860325,0.8130354328010417,0.8705623329449661,0.8423685833733123,0.8174024227263382
EOS-3-32196,CCc1ncc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccn2)s1,LVYZCRVVEFNSHB-UHFFFAOYSA-N,3,1,0.506,4,43,435.538,4.216,5,0.394,0.71,1.0,0.2690271400178192,0.3244979782057433,0.041498183811938864,0.02857926118840381,0.16590064080597627
EOS-3-32197,COc1cc(-c2nnc3cncc(Cc4ncc(-c5cnc(F)cn5)cc4F)n23)ccc1C(N)=O,CRMWNOYPOAJRMM-UHFFFAOYSA-N,3,1,0.376,85,81,474.431,2.62,5,0.397,0.62,0.995,0.4621084915358783,0.40562675621958744,0.4712579672400795,0.35612706462888083,0.4237800699061065
EOS-3-32198,COc1c(-c2ccccn2)ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)c1F,LQXALNIFJYUHTO-UHFFFAOYSA-N,3,1,0.484,11,699,460.444,4.157,5,0.36,0.69,1.0,0.8464293057364128,0.7845675416352547,0.6690768281817558,0.6011582482352135,0.7253079809471592
EOS-3-32199,Cn1ccnc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4c(F)cccc4F)n23)c1,AKSWXNYFUOUMCX-UHFFFAOYSA-N,3,1,0.524,34,332,452.852,4.702,5,0.386,0.73,1.0,0.8753084092934,0.8784696045507505,0.9085566445068878,0.9161383729696388,0.8946182578301692
EOS-3-32200,Clc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5cccs5)c4)n23)nn1,CHVRUPNKWTUHMF-UHFFFAOYSA-N,3,1,0.457,53,602,436.888,3.375,5,0.399,0.62,0.96,0.5694948941128093,0.6994722774312933,0.16265163456925502,0.23987389486669866,0.41787317524501405
EOS-3-32201,Cn1c(CO)nnc1-c1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)s1,AGVAIAVARGZKPE-UHFFFAOYSA-N,3,1,0.3,30,945,467.518,3.265,6,0.41,0.66,0.912,0.11855767253786581,0.14103728325680215,0.03862826399835515,0.07412960043862656,0.09308820505791242
EOS-3-32202,Cn1c(Cc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)nnc1-c1cnc(Cl)cn1,QMLDYPFYQSLLPT-UHFFFAOYSA-N,3,1,0.333,22,844,457.807,3.038,5,0.382,0.65,0.999,0.3012302104036735,0.45512644781029404,0.41336268932903847,0.5982454937975464,0.4419912103351381
EOS-3-32203,Cc1cnc(-c2nc(-c3nnc4cncc(OCCc5ccncc5F)n34)cs2)cn1,HUSFJWWBZKTIEU-UHFFFAOYSA-N,3,1,0.446,18,904,434.46,3.169,5,0.401,0.64,1.0,0.4941659241998492,0.46387327804811185,0.16266020149407168,0.16089541498183813,0.32039870468096776
EOS-3-32204,Fc1c(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)ccnc1Cl,FYEKFBMFVGPVEJ-UHFFFAOYSA-N,3,1,0.462,72,433,433.834,4.015,5,0.386,0.65,1.0,0.7699695017476527,0.7630645603454184,0.7907185936536221,0.7969810156946062,0.7801834178603249
EOS-3-32206,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)s1,NVJDHDIOVWZBGB-UHFFFAOYSA-N,3,1,0.333,98,314,469.509,4.22,6,0.381,0.71,0.988,0.12649921184291688,0.3335189500376945,0.1852511822356247,0.257581728462751,0.22571276814474678
EOS-3-32207,c1cncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cncs6)c5)n34)cc2)c1,QWIUZPLJKRGEGU-UHFFFAOYSA-N,3,1,0.307,42,174,434.488,4.434,6,0.405,0.67,1.0,0.08575491741484477,0.19367246933040916,0.5233020355013365,0.5576811047906244,0.34010263175930366
EOS-3-32208,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)nc1,HGDJKUBTKKNNNS-UHFFFAOYSA-N,3,1,0.293,64,174,434.488,4.434,6,0.405,0.67,1.0,0.06916078404495922,0.1135031868960318,0.28479884860530463,0.3561356315536975,0.2058996127749983
EOS-3-32209,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)c2)n[nH]1,FMEDXWZZGKYDOR-UHFFFAOYSA-N,3,1,0.543,59,16,453.84,4.395,5,0.424,0.64,1.0,0.7870776506065382,0.7547632101980672,0.8370313892125283,0.8563583715989308,0.8088076554040161
EOS-3-32210,COc1cc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)cnn4)n23)ccc1Cl,PFPKRVKGDMJKLQ-UHFFFAOYSA-N,3,1,0.457,36,404,449.862,2.618,5,0.385,0.61,1.0,0.42059317387430606,0.6076348433966143,0.3286186690425605,0.28705194983208826,0.4109746590363923
EOS-3-32211,Cn1nccc1-c1cc(Cl)cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c1,SJNBEBJJMXDCHQ-UHFFFAOYSA-N,3,1,0.675,91,660,448.889,4.606,5,0.379,0.72,1.0,0.6737886368309232,0.7182766774038791,0.8417774655609622,0.8496933040915633,0.770884020971832
EOS-3-32212,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnnn5C)c4)n23)nc1,HYWOOMBUQBDVMH-UHFFFAOYSA-N,3,1,0.388,6,843,464.493,2.961,6,0.37,0.64,1.0,0.2717342882598862,0.14472962785278595,0.23050167911726407,0.1766328558700569,0.2058996127749983
EOS-3-32213,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)nc2)no1,URGBJKZHSAVLPM-UHFFFAOYSA-N,3,1,0.281,86,977,424.449,4.027,6,0.417,0.66,1.0,0.1730347474470564,0.12697895963265027,0.2920550339250223,0.32412960043862654,0.22904958536083886
EOS-3-32214,Fc1ccc(-c2nncc(Oc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)nc1,CSYWPJVUWYNVQN-UHFFFAOYSA-N,3,1,0.359,55,875,421.783,3.018,5,0.403,0.66,1.0,0.734502433006648,0.855244671372764,0.3736978274278665,0.4578764306764444,0.6053303406209307
EOS-3-32215,Fc1cnc(Cl)c(COc2cncc3nnc(-c4cc(-c5cnccn5)n[nH]4)n23)c1,XMNPSIHKRNYHPM-UHFFFAOYSA-N,3,1,0.398,55,540,423.799,2.738,5,0.428,0.63,0.873,0.6316479336577342,0.46816530738126244,0.47126653416489617,0.5110513330135015,0.5205327770543485
EOS-3-32216,CCc1ncc(-c2cc(C)nc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cn1,KJPNPFIHCDYSFT-UHFFFAOYSA-N,3,1,0.351,51,48,459.901,3.537,5,0.375,0.62,1.0,0.4228462751010897,0.45945274484271126,0.12908642313755053,0.11823212939483244,0.282404393119046
EOS-3-32217,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5cc(=O)n(C)cn5)c4)n23)n1,IKLKNWBIMRFDGF-UHFFFAOYSA-N,3,1,0.442,7,99,427.428,1.624,5,0.411,0.59,1.0,0.2531440614077171,0.11061613323281475,0.10149235830306354,0.05882907271605784,0.1310204064149133
EOS-3-32218,c1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cn2)cn1,GWCXTWDXXNITOS-UHFFFAOYSA-N,3,1,0.306,94,167,419.408,3.36,6,0.423,0.64,1.0,0.18179871153450758,0.1410458501816188,0.39592899732711945,0.38517750668220135,0.2759877664313618
EOS-3-32219,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)c(Cl)c4)n23)n1,KNZIIMZGFQPOHW-UHFFFAOYSA-N,3,1,0.556,4,202,435.9,4.246,5,0.407,0.71,1.0,0.5248269481187033,0.6359999314646014,0.44316702076622577,0.47919950654513055,0.5207983517236653
EOS-3-32220,CCc1nc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1ncc(F)cn1,NDFTXMTYQLWPBX-UHFFFAOYSA-N,3,1,0.371,31,662,445.462,2.966,5,0.392,0.62,0.994,0.3761137002261668,0.3094030566787746,0.06689911589335892,0.04516482763347269,0.19939517510794327
EOS-3-32221,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccc(F)nn1,XWZGMLUJRNGZDC-UHFFFAOYSA-N,3,1,0.452,95,569,435.398,2.276,5,0.4,0.6,0.999,0.4435096977588925,0.3145089438695086,0.29206360084983896,0.30894044273867455,0.3397556713042287
EOS-3-32222,Cc1cnc(-c2cc(F)cnc2-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4)n23)cn1,LAIJQIRYNUIEKK-UHFFFAOYSA-N,3,1,0.255,70,72,464.468,3.553,6,0.389,0.63,1.0,0.14001781920361867,0.23771502981289835,0.30640463299294085,0.2902388458638887,0.24359408196833665
EOS-3-32223,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)nn6)c5)n34)nc2)cs1,SSMUZHKLUVSFPR-UHFFFAOYSA-N,3,1,0.29,70,664,472.925,3.914,6,0.379,0.72,0.002,0.006990610650400932,0.11062470015763141,0.20206805565074362,0.24543382907271605,0.141279298882873
EOS-3-32224,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cccc(-c5cncnn5)n4)n23)nc1,YXTNIHBNTGNKEY-UHFFFAOYSA-N,3,1,0.268,76,892,431.423,2.557,6,0.41,0.57,0.997,0.08339044616544446,0.08178843122472758,0.1207679391405661,0.15273970255637037,0.10967162977177713
EOS-3-32225,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,JDUKAGKFXYUQIR-UHFFFAOYSA-N,3,1,0.321,42,339,452.478,4.573,6,0.387,0.73,1.0,0.14002638612843535,0.2633558357891851,0.6664296484134056,0.6974419162497429,0.44181344664519223
EOS-3-32226,Cc1nc(-c2c[nH]nn2)cc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)n1,WZVHQNFCAXQHOK-UHFFFAOYSA-N,3,1,0.291,38,725,422.412,2.997,6,0.454,0.6,0.999,0.14859331094510314,0.10401103419916387,0.20932424097046123,0.207627989856761,0.1673891439928723
EOS-3-32227,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cnc(C)c(F)n5)ncc4F)n23)cn1,IMTWAIBSTUIGCP-UHFFFAOYSA-N,3,1,0.419,51,48,447.409,2.907,5,0.401,0.55,1.0,0.7436519087108492,0.612389486669865,0.36580768967171545,0.29024741278870536,0.5030241244602838
EOS-3-32228,CCn1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cc2)nc1C,INOANOWHCUCHFD-UHFFFAOYSA-N,3,1,0.307,25,508,463.509,3.236,6,0.382,0.63,1.0,0.11856623946268248,0.0781903228017271,0.03587828113220479,0.03890240559248852,0.06788431224727572
EOS-3-32229,COc1ncccc1-c1ncc(F)cc1-c1nnc2cncc(Cc3ccc(F)c(C#N)c3)n12,KAVQAZZUXVFODN-UHFFFAOYSA-N,3,1,0.327,14,358,455.428,3.998,5,0.395,0.68,0.997,0.5222140360496196,0.5838616270303612,0.8136779521622918,0.7737475155918032,0.673375282708519
EOS-3-32230,COc1cc(-c2nnc3cncc(-c4ccsc4)n23)ccc1-c1cc(Cl)ncn1,IBULAFFZASNSJJ-UHFFFAOYSA-N,3,1,0.383,82,478,420.885,4.639,5,0.394,0.78,1.0,0.43892639298197517,0.377270235076417,0.6964481529710095,0.6715526694537729,0.5460493626207936
EOS-3-32231,Cc1nc(F)cc(COc2cncc3nnc(-c4ccc(-c5nc(=O)cc[nH]5)cc4)n23)n1,COIMYIUGOFCJRT-UHFFFAOYSA-N,3,1,0.453,4,22,430.403,2.358,5,0.422,0.59,1.0,0.6553097800013707,0.5269858131725036,0.31385785758344187,0.25759029538756767,0.438435936536221
EOS-3-32232,CCc1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1ccc(F)cn1,GTBJJUDABHZUFB-UHFFFAOYSA-N,3,1,0.378,46,128,462.876,3.972,5,0.373,0.69,0.962,0.6432646837091358,0.6601843602220547,0.362260982797615,0.3885957096840518,0.5135764341032144
EOS-3-32233,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)s5)n34)cc2)nc1,SUCMPLWCBGOBHR-UHFFFAOYSA-N,3,1,0.319,32,126,433.5,5.039,6,0.387,0.79,1.0,0.12093071071208279,0.1892176684257419,0.4396974162154753,0.470289904735796,0.305033925022274
EOS-3-32234,Cn1cnc(-c2ccncc2COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,MFJMOLSIVQMXLJ-UHFFFAOYSA-N,3,1,0.456,92,69,435.398,2.893,5,0.401,0.6,0.984,0.5748320882735933,0.472560139812213,0.4952967582756494,0.37908642313755053,0.48044385237475157
EOS-3-32235,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)ncn2)c1,NVNNKJRWKZILGA-UHFFFAOYSA-N,3,1,0.462,46,395,468.374,3.775,5,0.359,0.7,0.633,0.8322596120896443,0.6797512165033239,0.9383695428688917,0.8615841957370982,0.8279911417997395
EOS-3-32236,Cc1cc(C)c2ncc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cc2n1,UZMNRVGLRHYBTJ-UHFFFAOYSA-N,3,1,0.523,56,415,463.505,3.726,6,0.381,0.68,1.0,0.3690631211020492,0.1765214858474402,0.2341426221643479,0.16869988348982248,0.23710677815091494
EOS-3-32237,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5cnn(C)c5C)c4)n23)c1F,CAQWNXXPDOHRJC-UHFFFAOYSA-N,3,1,0.424,92,36,430.447,3.317,5,0.422,0.65,1.0,0.39630594201905284,0.33352751696251115,0.4712751010897128,0.33382735933109453,0.3837339798505929
EOS-3-32238,N#Cc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncc2F)cn1,GNKFPHXPJDJSNQ-UHFFFAOYSA-N,3,1,0.369,82,243,444.38,4.259,5,0.408,0.61,0.815,0.36431704475361526,0.5935679528476459,0.9383781097937085,0.9161469398944555,0.7031025118223563
EOS-3-32239,Cn1ccnc1-c1nnc2cncc(-c3ccc(Oc4cccc(Cl)c4)cc3F)n12,BKJHBIGRALQTHJ-UHFFFAOYSA-N,3,1,0.382,96,586,420.835,4.777,5,0.418,0.78,1.0,0.22046981015694606,0.30941162360359126,0.792706120211089,0.8563669385237476,0.5447386231238435
EOS-3-32240,CCc1cc(COc2cncc3nnc(-c4cc(-c5ccccc5F)ncn4)n23)ccc1F,PWNHUQZUOLEXRA-UHFFFAOYSA-N,3,1,0.451,44,130,444.445,4.668,5,0.379,0.74,0.697,0.7699780686724693,0.6797597834281406,0.8545336166129806,0.8304262901788774,0.783674439723117
EOS-3-32241,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)c1,MLUWXVMAKWIXTK-UHFFFAOYSA-N,3,1,0.418,55,511,418.367,2.896,5,0.402,0.68,1.0,0.6316565005825509,0.48129840312521416,0.6690853951065725,0.6685799465423892,0.6126550613391817
EOS-3-32242,Cc1c(F)ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)c1F,FSLMGINWJPEQEN-UHFFFAOYSA-N,3,1,0.517,35,778,445.433,3.851,5,0.392,0.63,1.0,0.839695702830512,0.7368412034815982,0.7589181687341512,0.7220546912480296,0.7643774415735727
EOS-3-32243,Fc1ccccc1-n1cnc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)n1,VDICROYVLFWWLW-UHFFFAOYSA-N,3,1,0.483,43,612,437.385,4.028,5,0.399,0.69,1.0,0.6091254883147146,0.6404375985196354,0.8370399561373449,0.8324309505859776,0.7297584983894181
EOS-3-32244,COCCc1n[nH]c(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)n1,XTYDNYLDLILYDU-UHFFFAOYSA-N,3,1,0.278,36,917,421.4,1.095,5,0.427,0.67,0.961,0.14860187786991982,0.21245116852854498,0.015420464670002056,0.028587828113220477,0.10126533479542184
EOS-3-32245,CCn1nc(C)nc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)n1,BCFZASAGQLGIMI-UHFFFAOYSA-N,3,1,0.298,52,974,466.509,2.727,6,0.404,0.58,0.995,0.06711328901377561,0.056044822150640806,0.004163525460900555,0.004060722363100541,0.03284558974710438
EOS-3-32246,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)cn1,WGDODQQWJBXBFC-UHFFFAOYSA-N,3,1,0.415,31,296,445.874,3.017,5,0.363,0.64,1.0,0.6065639777945309,0.5452761976560894,0.24117606743883216,0.23988246179151532,0.40822467617024194
EOS-3-32247,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccn(-c6ccccc6)n5)n34)nc2)nc1,OXDPEPCTGDANDP-UHFFFAOYSA-N,3,1,0.284,30,298,450.893,4.754,6,0.385,0.71,0.983,0.02009800561990268,0.13363546021520115,0.5569443492563909,0.6485076416969364,0.3397963641971078
EOS-3-32248,Cc1ncc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)s1,UJQJYACFFASOJQ-UHFFFAOYSA-N,3,1,0.483,16,207,435.9,4.246,5,0.407,0.67,1.0,0.48678123500788156,0.5313378109793708,0.3848091289150846,0.46725721335069564,0.46754634706325815
EOS-3-32249,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nn1,VLXCORFHLGVHBO-UHFFFAOYSA-N,3,1,0.426,18,88,444.886,3.622,5,0.366,0.63,1.0,0.595264203961346,0.607643410321431,0.38481769583990133,0.3821876499211843,0.4924782400109657
EOS-3-32250,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cn5)n34)cc2F)nn1,XJFFWHOZRCHVRZ-UHFFFAOYSA-N,3,1,0.333,32,596,461.464,4.215,6,0.384,0.64,1.0,0.285072990199438,0.3530943732437804,0.5736327187992598,0.557689671715441,0.4423724384894798
EOS-3-32252,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2C)ccc1F,SJFGFBIIYQJHKL-UHFFFAOYSA-N,3,1,0.457,95,965,449.877,4.267,5,0.398,0.69,1.0,0.34142622164347886,0.4284404770063738,0.6854996230553081,0.6947947364813927,0.5375402645466383
EOS-3-32253,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)ncn2)cn1,UEJGRRFZTMKFGE-UHFFFAOYSA-N,3,1,0.434,71,117,468.412,2.806,6,0.356,0.66,1.0,0.6091340552395312,0.5732814748817764,0.3100969775889247,0.2637070797066685,0.43905489685422516
EOS-3-32254,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)cc2)c1,LIXHMFLRTYNOBH-UHFFFAOYSA-N,3,1,0.341,69,152,447.477,5.06,6,0.378,0.8,1.0,0.15407614282777055,0.28385648687547116,0.8074669316702077,0.8185268316085258,0.5159815982454938
EOS-3-32255,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)c(F)c2)n1,RUFTVUAWVNLHMQ-UHFFFAOYSA-N,3,1,0.518,16,256,419.445,3.731,5,0.429,0.72,1.0,0.787086217531355,0.7717942567336029,0.4133712562538551,0.36298917140703174,0.5838102254814612
EOS-3-32256,Cc1nc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)ccc1-c1ncc(F)cn1,FIBAHPBVTHZCRY-UHFFFAOYSA-N,3,1,0.396,31,775,463.864,3.156,5,0.374,0.61,1.0,0.7553971626345007,0.7182852443286958,0.1819443492563909,0.23694400657939826,0.47314269069974646
EOS-3-32257,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)s1,OGIAXFRNTYFVMT-UHFFFAOYSA-N,3,1,0.512,72,208,454.878,3.78,5,0.395,0.67,1.0,0.7224916044136797,0.7930487972037558,0.3064131999177575,0.36930299499691593,0.5478141491330272
EOS-3-32258,N#Cc1cc(-c2nnc3cncc(OCc4nccc(-c5cnoc5)n4)n23)ccc1Cl,CBWABFSEJJYIEN-UHFFFAOYSA-N,3,1,0.483,16,335,430.815,3.34,5,0.412,0.62,1.0,0.710129531903228,0.7967925433486396,0.6053303406209307,0.6164930436570488,0.6821863648824618
EOS-3-32259,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-n5cccn5)c4)n23)cc1,ZLCSGVZMNGGHNF-UHFFFAOYSA-N,3,1,0.708,43,146,437.29,4.863,5,0.393,0.77,1.0,0.7403450757316153,0.8863340415324515,0.8824360907408677,0.9181944349256391,0.8568274107326435
EOS-3-32260,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cn5)n34)cn2)nn1,LRNNUVIONXBVRV-UHFFFAOYSA-N,3,1,0.277,32,179,461.464,4.215,6,0.359,0.71,1.0,0.22601261051333013,0.3197519018573093,0.5368035090124049,0.5243300664793366,0.40172452196559527
EOS-3-32262,c1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6conn6)c5)n34)cn2)ccn1,KINRWDLCXGQOPB-UHFFFAOYSA-N,3,1,0.295,70,719,420.396,2.755,6,0.419,0.65,0.858,0.07495202522102666,0.07819888972654376,0.25890960180933453,0.290255979713522,0.17557912411760673
EOS-3-32263,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)n5)cs4)n23)cc1,NGVYTKYDPLYBBA-UHFFFAOYSA-N,3,1,0.489,89,268,477.937,3.902,5,0.369,0.76,1.0,0.5142553628949352,0.5087125625385511,0.27755979713522033,0.23104996230553082,0.3828944212185594
EOS-3-32264,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5F)n34)cc2)n1C,JSVXFCVZTVOYOH-UHFFFAOYSA-N,3,1,0.329,9,98,463.48,4.158,6,0.387,0.65,1.0,0.2824515112055377,0.28386505380028787,0.6172297991912823,0.5800836131862107,0.44090749434582965
EOS-3-32265,Cn1nc(-c2ccccc2F)cc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,BJSDNSNEGVGCLA-UHFFFAOYSA-N,3,1,0.452,19,482,450.865,3.396,5,0.391,0.61,1.0,0.43659618943184153,0.4857703378795148,0.3177900760742924,0.42944280720992395,0.4173998526488932
EOS-3-32266,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1F,HCVZELCDXAGQPJ-UHFFFAOYSA-N,3,1,0.518,20,658,416.42,2.742,5,0.42,0.68,1.0,0.7007487492289768,0.5935765197724625,0.4281663354122404,0.3917397710917689,0.5285578438763622
EOS-3-32267,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ccn2)cc1,GEPKDZQKINVQKA-UHFFFAOYSA-N,3,1,0.561,59,89,450.836,4.759,5,0.384,0.72,1.0,0.9543382907271606,0.9160955383455555,0.936947433349325,0.9459170036323761,0.9383245665136042
EOS-3-32268,Cn1nc(-c2ncnn2C)cc1-c1cncc2nnc(-c3ccc(-c4ccnc(Cl)c4)cc3)n12,XXZOBXXAYRNQEK-UHFFFAOYSA-N,3,1,0.318,98,882,468.912,3.703,6,0.363,0.7,1.0,0.08339901309026113,0.2279144678226304,0.2848074155301213,0.3661417997395655,0.24056567404564458
EOS-3-32269,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)c(F)n5)c4)n23)nn1C,JXLGIAWUSPGVGD-UHFFFAOYSA-N,3,1,0.472,24,486,434.41,3.147,5,0.392,0.64,0.999,0.41352546090055514,0.4102614625454047,0.45027756836406,0.3790949900623672,0.4132898704680968
EOS-3-32270,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc(CF)n2)nn1,NQIMQENRELWSSK-UHFFFAOYSA-N,3,1,0.421,53,128,463.864,3.444,5,0.373,0.63,0.992,0.4867898019326982,0.5177421012953191,0.17237509423617298,0.21383044342402852,0.34768436022205473
EOS-3-32271,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ncc(Cl)cn1,RXUAJGKUMDCKJM-UHFFFAOYSA-N,3,1,0.456,31,569,451.853,2.791,5,0.362,0.64,1.0,0.5142639298197519,0.4594613117675279,0.20575183332191077,0.2605287505996847,0.3600014563772188
EOS-3-32272,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)ccn2)no1,JVUHGZUUYGDEQU-UHFFFAOYSA-N,3,1,0.506,7,420,422.355,2.797,5,0.421,0.67,1.0,0.5721335069563429,0.4681738743060791,0.2992855184702899,0.29931978616955657,0.40972817147556706
EOS-3-32273,Cc1cnc(COc2cncc3nnc(-c4cc(C)c(F)c(-c5cccnc5F)c4)n23)cn1,FCYMLLAPKSUWGI-UHFFFAOYSA-N,3,1,0.511,16,253,445.433,4.117,5,0.376,0.71,1.0,0.6582739359879378,0.6123980535946817,0.7523987389486669,0.6598845178534714,0.6707388115961894
EOS-3-32274,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnc(F)cn5)n4)n23)cc1,KHGCKGWRXRDVPP-UHFFFAOYSA-N,3,1,0.338,42,42,450.441,3.245,6,0.402,0.57,1.0,0.20956411486532794,0.25796724007950106,0.2811836063326708,0.28126927558083753,0.25749605921458435
EOS-3-32275,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nncn5C)cn4)n23)c(Cl)n1,BCGVWIBOLHFIHE-UHFFFAOYSA-N,3,1,0.5,36,185,433.863,2.918,5,0.389,0.63,1.0,0.46211705846069495,0.5269943800973202,0.18842951134260846,0.19058837639640874,0.3420323315742581
EOS-3-32276,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cnnn1C,ACGCQFJFOZBXNT-UHFFFAOYSA-N,3,1,0.479,36,940,453.915,3.889,5,0.385,0.68,1.0,0.4181344664519224,0.5223511068466863,0.4466708930162429,0.38219621684600097,0.44233817079021315
EOS-3-32277,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)nc1,KULIKJSWDNFADU-UHFFFAOYSA-N,3,1,0.457,33,457,407.409,2.092,4,0.5,0.84,1.0,0.39415564389006924,0.11979987663628264,0.1819529161812076,0.12288396957028305,0.2046981015694606
EOS-3-32278,FC(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncccn5)cn4)n23)cc1Cl,LPDRHHFYNNZHJF-UHFFFAOYSA-N,3,1,0.407,13,412,451.824,5.027,5,0.37,0.8,1.0,0.859990747721198,0.8917312041669523,0.9065691179494209,0.8769104242341169,0.8838003735179221
EOS-3-32279,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccc(C)nn5)nnn4COC)n23)cn1,UKEHURGUCCYTNB-UHFFFAOYSA-N,3,1,0.295,50,974,457.458,1.174,5,0.393,0.58,0.981,0.11573058734836543,0.08179699814954423,0.007598862312384346,0.0027585497909670344,0.051971249400315264
EOS-3-32280,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,ZEKOGZBTYDMVIP-UHFFFAOYSA-N,3,1,0.466,2,36,419.836,2.609,5,0.427,0.64,1.0,0.427609485299157,0.43752998423685835,0.36226954972243164,0.385186073607018,0.4031487732163663
EOS-3-32281,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccon5)cc4F)n23)ccc1-c1cc[nH]n1,CLLMXDMAQZIAIC-UHFFFAOYSA-N,3,1,0.325,3,192,441.401,4.782,6,0.423,0.69,1.0,0.32945822767459393,0.4009834829689535,0.8881930642176684,0.8963659104927695,0.6287501713384963
EOS-3-32282,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)n2)nc1C,QIKKENBYJXXLQQ-UHFFFAOYSA-N,3,1,0.517,58,271,456.485,3.724,5,0.356,0.69,1.0,0.7524929751216504,0.6895860461928586,0.15019532588582002,0.1182406963196491,0.4276287608799945
EOS-3-32283,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)nc2)nn1,SOSKCXBPBZXUHL-UHFFFAOYSA-N,3,1,0.495,84,73,446.421,3.246,5,0.392,0.6,1.0,0.7317181824412309,0.7588753341100678,0.4852306216160647,0.4734253992186965,0.6123123843465149
EOS-3-32284,Cn1nc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)cnn4)n23)s1,UGYFXNJPFGKDSV-UHFFFAOYSA-N,3,1,0.447,53,207,424.877,3.276,5,0.427,0.66,1.0,0.29347714344458914,0.4551350147351107,0.13495476663696798,0.25464327325063396,0.2845525495168254
EOS-3-32285,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cc2F)ccn1,GXANBJCKFMMFJM-UHFFFAOYSA-N,3,1,0.588,4,92,432.484,4.645,5,0.402,0.76,1.0,0.5721420738811597,0.6650075388938387,0.5434428757453225,0.482360701802481,0.5657382975807005
EOS-3-32286,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)cn1,NXDKIRBPYZTUGY-UHFFFAOYSA-N,3,1,0.408,31,113,450.915,3.683,5,0.386,0.64,0.958,0.6404461654444521,0.5981169899252964,0.22674936604756357,0.23695257350421492,0.4255662737303817
EOS-3-32287,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncco5)c(F)c4)n23)ncc1Cl,SYWSPXPGIFTJPW-UHFFFAOYSA-N,3,1,0.566,59,469,440.797,4.352,5,0.401,0.67,1.0,0.8666815160030156,0.8319597697210609,0.8798146117469673,0.8781954629566171,0.8641628401069152
EOS-3-32288,Cc1nc(-c2ncc(F)cn2)cc(-c2nnc3cncc(OCCc4cnccc4F)n23)n1,WJKGHKFHNXSHAJ-UHFFFAOYSA-N,3,1,0.43,18,263,447.409,2.641,5,0.387,0.57,0.965,0.7466417654718662,0.5223596737715029,0.23415118908916455,0.25150777876773356,0.4386651017750668
EOS-3-32289,Cn1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ccccc1F,MFSNWLHSSACXAH-UHFFFAOYSA-N,3,1,0.452,19,266,449.877,4.001,5,0.364,0.7,1.0,0.4993317798642999,0.4903793434308821,0.5058083750257008,0.595367007059146,0.5227216263450072
EOS-3-32290,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c(F)c2)nn1,RDJKTPNBOHLGNR-UHFFFAOYSA-N,3,1,0.547,4,820,447.861,4.323,5,0.396,0.66,1.0,0.6345092865465013,0.8090175450620245,0.7196216846000959,0.7328661503666644,0.7240036666438215
EOS-3-32291,Cn1cc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)nn2)cn1,GYQKINARVMRZIW-UHFFFAOYSA-N,3,1,0.292,99,880,422.416,1.624,6,0.416,0.59,1.0,0.0010194640531834692,0.0005054485641834008,0.03709478445617161,0.05883763964087451,0.024364334178603248
EOS-3-32292,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cc(F)ccn5)n4)n23)nc1,WZOLJJILZLEITJ-UHFFFAOYSA-N,3,1,0.432,44,692,445.433,3.851,5,0.392,0.62,1.0,0.7554057295593174,0.67469673086149,0.5130131587965184,0.5110598999383181,0.613543879788911
EOS-3-32293,Cc1c(F)ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnn2)c1F,FCIFQZGDNOQHMG-UHFFFAOYSA-N,3,1,0.538,37,778,445.433,3.851,5,0.392,0.62,0.998,0.8038688232472072,0.7090072647522445,0.6936467685559592,0.6629000753889384,0.7173557329860872
EOS-3-32294,Cc1cnc(-c2cccc(-c3nnc4cncc(Cc5cncc(Cl)c5)n34)c2)cn1,LXWKIMCTMOMPTA-UHFFFAOYSA-N,3,1,0.34,85,81,413.872,4.196,5,0.439,0.79,1.0,0.23973682406963195,0.29453944212185595,0.5989565485573298,0.6279470221369338,0.4402949592214379
EOS-3-32295,COc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)n4)n23)nc1,LEUYITGWOHVHFH-UHFFFAOYSA-N,3,1,0.442,46,775,448.393,2.904,5,0.362,0.62,0.996,0.6799996573230074,0.6454749503118361,0.42097011856623945,0.33064903022411074,0.5192734391062985
EOS-3-32296,COc1ncc(F)cc1-c1ccnc(-c2nnc3cncc(Cc4cnc(C#N)nc4)n23)c1,QVTSFIUXBFBXKK-UHFFFAOYSA-N,3,1,0.314,18,976,439.414,2.648,5,0.406,0.56,0.955,0.4228548420259064,0.4195994105955726,0.3995870742238366,0.3211397436776095,0.3907952676307313
EOS-3-32297,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)n4C)n23)cc1,DVTJRJQMNHDAKP-UHFFFAOYSA-N,3,1,0.325,8,882,469.9,3.098,6,0.361,0.66,1.0,0.09778287985744637,0.2579758070043177,0.10416523884586389,0.17392570762798987,0.15846240833390446
EOS-3-32298,COc1cc(-c2nnc3cncc(OCCc4nccs4)n23)ccc1-c1ccccn1,AXDAMQPMPHBKMM-UHFFFAOYSA-N,3,1,0.627,11,777,430.493,3.94,5,0.386,0.7,1.0,0.5834247138647112,0.43303234870810775,0.2736104447947365,0.21073778356521145,0.37520132273319173
EOS-3-32299,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)c2)ccn1,JONRMDMTUZDVKH-UHFFFAOYSA-N,3,1,0.448,87,132,432.394,2.938,5,0.377,0.61,1.0,0.6288465492426838,0.6217360016448495,0.5301298745802207,0.537677335343705,0.5795974402028647
EOS-3-32300,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(C)cc5Cl)n34)nc2)c1,UPCDSMORDARADJ-UHFFFAOYSA-N,3,1,0.488,97,210,442.91,5.098,5,0.377,0.81,1.0,0.6492443972311699,0.805419436639024,0.7090758001507779,0.7086474539099444,0.718096771982729
EOS-3-32301,Cc1ccc(COc2cncc3nnc(-c4cc(F)cc(-c5cc(C)nn5C)c4)n23)nn1,BMUVZZRVQFPMEM-UHFFFAOYSA-N,3,1,0.561,36,534,430.447,3.317,5,0.422,0.6,1.0,0.4135340278253718,0.3864882461791515,0.35845726817901447,0.2753837982317867,0.3584658351038311
EOS-3-32302,Fc1ccnc(F)c1CCOc1cncc2nnc(-c3cc(-c4ccncc4)ccn3)n12,YFKHSIIVLBMOPI-UHFFFAOYSA-N,3,1,0.5,18,840,431.406,3.543,5,0.38,0.63,1.0,0.7194075114796793,0.5838701939551778,0.682766774038791,0.6804365704886574,0.6666202624905764
EOS-3-32303,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cccc(=O)[nH]5)cc4)n23)nn1,OPCIEMZAHSYSAE-UHFFFAOYSA-N,3,1,0.363,67,622,463.461,3.129,6,0.413,0.61,1.0,0.40460729216640395,0.24314646014666574,0.3510468782125968,0.3058306490302241,0.32615781988897263
EOS-3-32304,Fc1ccc2ccc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5F)n34)nc2c1,BEFRFCNNGFJLJM-UHFFFAOYSA-N,3,1,0.483,34,146,441.8,4.989,5,0.368,0.83,1.0,0.9291772325406072,0.9634277979576451,0.9715406757590296,0.9796449866355973,0.9609476732232198
EOS-3-32305,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)nc5)ccn4)n23)c(F)n1,XLZUFCDGDJFSSB-UHFFFAOYSA-N,3,1,0.5,7,567,428.431,3.373,5,0.393,0.65,1.0,0.577727708861627,0.6505894044273868,0.4320300185045576,0.3151514632307587,0.49387464875608256
EOS-3-32306,COCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)ccn2)cn1,BDQRVEGEYNHEBK-UHFFFAOYSA-N,3,1,0.584,75,583,457.469,3.55,5,0.349,0.68,1.0,0.5923257487492289,0.48577890480433145,0.5167911726406689,0.45467240079501064,0.5123920567473099
EOS-3-32307,Cc1ncc(-c2nnc3cncc(Cc4cccc(-c5cccc(F)c5F)c4)n23)cn1,DSUDBYPQNMGUTL-UHFFFAOYSA-N,3,1,0.357,14,358,414.419,4.426,5,0.435,0.81,1.0,0.4046158590912206,0.40099204989377013,0.8691830580494826,0.8711962853813995,0.6364968131039682
EOS-3-32308,Fc1ccc(-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)c(-c2cncs2)c1,FXAGULJASJKNKB-UHFFFAOYSA-N,3,1,0.314,10,618,442.443,3.092,6,0.409,0.57,1.0,0.01732232197930231,0.17653005277225686,0.18843807826742512,0.2722740045233363,0.16364111438558016
EOS-3-32309,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccc2F)cn1,KGQQYOFBNIQETD-UHFFFAOYSA-N,3,1,0.56,37,265,467.867,4.14,5,0.373,0.72,1.0,0.8464378726612295,0.8319683366458775,0.879823178671784,0.8755311493386334,0.8584401343293812
EOS-3-32310,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(Oc5cc(F)ccc5F)n34)c2)cn1,KYJAKNHRWYEAIG-UHFFFAOYSA-N,3,1,0.494,13,145,434.381,4.766,5,0.406,0.71,1.0,0.8117932287026249,0.8643256116784319,0.9377013227331917,0.9266499897196903,0.8851175382084848
EOS-3-32311,Cn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)nn3)n12,PQNOMJNNQBUUNE-UHFFFAOYSA-N,3,1,0.337,8,474,468.431,3.384,6,0.362,0.69,0.261,0.09304537043382907,0.2838736207251045,0.23747515591803167,0.3886042766088685,0.25074960592145845
EOS-3-32313,Cc1ccc(-c2nnc3cncc(-c4nc(COc5ccccn5)nn4C4CC4)n23)nc1,APJASRJIKHFHLU-UHFFFAOYSA-N,3,1,0.337,33,432,425.456,3.062,6,0.408,0.65,0.97,0.11013638544308135,0.0818055650743609,0.0041720923857172226,0.009218011102734562,0.05133301350147351
EOS-3-32314,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)cn1,SGNSCYOMPPBOAO-UHFFFAOYSA-N,3,1,0.453,18,367,461.888,4.366,5,0.371,0.69,1.0,0.7373980535946817,0.7275032554314304,0.6910766911109588,0.680445137413474,0.7091057843876363
EOS-3-32315,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccccn5)n4)n23)cn1,NNJLFPRTZNJEGE-UHFFFAOYSA-N,3,1,0.388,99,502,452.442,1.536,6,0.365,0.61,1.0,0.2067541635254609,0.17209238571722293,0.022188335275169627,0.017459392776368994,0.1046235693235556
EOS-3-32316,Cc1ncc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c(-c2ccccc2)n1,FFCAVKSBGAGTMP-UHFFFAOYSA-N,3,1,0.561,1,700,446.873,4.928,5,0.381,0.77,1.0,0.9678054965389624,0.9681310396819958,0.7800870399561374,0.8013158796518401,0.8793348639572339
EOS-3-32317,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ccc(C)nc3-c3ccncc3)n12,ONFOWYMQWKVVFZ-UHFFFAOYSA-N,3,1,0.278,8,754,461.493,3.292,6,0.38,0.64,0.574,0.04662120485230622,0.03485881707902132,0.026300459187170173,0.04261188403810568,0.03759809128915084
EOS-3-32318,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)cn2)nn1,RLWJCVZMJZOFFD-UHFFFAOYSA-N,3,1,0.456,13,251,435.369,4.161,5,0.392,0.67,1.0,0.7131193886642451,0.8284558974710438,0.8498646425878966,0.8122472757179083,0.8009218011102734
EOS-3-32319,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccnn6)ncn5)n34)cn2)n(C)n1,KXOKBTWKDJLPQY-UHFFFAOYSA-N,3,1,0.278,76,14,447.466,2.809,6,0.401,0.57,0.998,0.07310156946062642,0.04860873140977315,0.12909499006236722,0.11125865259406484,0.0905159858817079
EOS-3-32320,Cc1cc(COc2cncc3nnc(-c4cc(Cl)cc(-c5ccc(F)cn5)c4)n23)n(C)n1,VFIAIPPYUCGYFF-UHFFFAOYSA-N,3,1,0.5,4,677,449.877,4.267,5,0.398,0.68,1.0,0.44123089575765884,0.5270029470221369,0.637893221849085,0.6457576588307861,0.5629711808649167
EOS-3-32321,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)nn2)nn1,NTWWMWBTWOYNDU-UHFFFAOYSA-N,3,1,0.379,53,411,467.28,2.757,5,0.367,0.61,0.65,0.6091426221643479,0.6700106229867727,0.12077650606538277,0.23105852923034748,0.40774707011171274
EOS-3-32322,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1cccnn1,WIPADCDBESDERI-UHFFFAOYSA-N,3,1,0.547,37,265,465.851,4.196,5,0.371,0.68,1.0,0.9722088958947296,0.9581591391953944,0.8575491741484477,0.8782040298814338,0.9165303097800013
EOS-3-32323,Cc1ccc(-c2nnc3cncc(-c4ncc(-c5cncs5)nc4OC(F)(F)F)n23)cn1,HYUIDHUUXBAYNE-UHFFFAOYSA-N,3,1,0.366,50,243,456.413,3.974,5,0.4,0.68,1.0,0.6203138921252828,0.6797683503529574,0.7274432869577137,0.6011668151600301,0.6571730861489959
EOS-3-32324,Clc1ccc(-c2nccnc2-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cn1,YMRYLZTUDSRMEX-UHFFFAOYSA-N,3,1,0.402,46,587,452.265,3.319,5,0.37,0.65,0.993,0.47186621890206293,0.5087211294633678,0.27361901171955316,0.4008378452470701,0.41376105133301355
EOS-3-32325,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)n2)n1,DGRIYXJOBWKYKX-UHFFFAOYSA-N,3,1,0.273,76,387,434.427,1.896,6,0.404,0.57,0.982,0.027773970255637038,0.01795627441573573,0.03710335138098828,0.04655266945377287,0.03234656637653348
EOS-3-32326,Cc1nc(-c2cc(-c3nnc4cncc(-c5cn(-c6cncnc6)nn5)n34)ccc2Cl)n(C)n1,JNERQQZDVHQXRY-UHFFFAOYSA-N,3,1,0.307,99,312,470.888,2.586,6,0.381,0.63,1.0,0.026617435405386882,0.22792303474744705,0.1015009252278802,0.15274826948118703,0.12719741621547528
EOS-3-32327,Fc1ccc(Cl)cc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,DNTVOXHDZLCJLH-UHFFFAOYSA-N,3,1,0.304,3,158,469.871,4.289,6,0.379,0.73,0.819,0.04662977177712289,0.3145175107943253,0.46421595504077856,0.6541189774518539,0.3698705537660202
EOS-3-32328,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)c1Cl,GYZQQGYZWQNUFF-UHFFFAOYSA-N,3,1,0.489,59,910,451.824,4.154,5,0.371,0.7,1.0,0.9084367075594545,0.912111918305805,0.7907271605784387,0.8185353985333425,0.8574527962442602
EOS-3-32329,Cc1sc(-c2nnco2)nc1COc1cncc2nnc(-c3ccccc3Cl)n12,GPZVOGIWNQWIMO-UHFFFAOYSA-N,3,1,0.529,4,820,425.861,3.839,5,0.418,0.73,1.0,0.4818381193886642,0.602614625454047,0.07342711260365979,0.15010965663765335,0.32699737852100613
EOS-3-32330,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cc1,JENKQKKKXUDGAN-UHFFFAOYSA-N,3,1,0.333,30,668,429.487,5.014,6,0.394,0.77,0.999,0.006476595161400864,0.04861729833458982,0.6664382153382222,0.6656329244054554,0.3467912583099171
EOS-3-32331,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)c1,FEBHGXXQGHWQKF-UHFFFAOYSA-N,3,1,0.315,69,479,429.487,4.921,6,0.398,0.77,1.0,0.1454920841614694,0.10079843739291344,0.7222431635939963,0.70025186758961,0.4171963881844973
EOS-3-32332,Cn1nnc(-c2ccc(-c3nnc4cncc(-c5ocnc5-c5ccc(Cl)cc5)n34)cn2)n1,IIYUTAJKENXYNX-UHFFFAOYSA-N,3,1,0.333,98,693,456.857,3.352,6,0.392,0.66,1.0,0.2095726817901446,0.34373072441916247,0.1595418408608046,0.26667123569323553,0.24487912069083678
EOS-3-32334,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)c1,FFKIDZMBKYOXBQ-UHFFFAOYSA-N,3,1,0.523,18,481,414.404,2.799,5,0.418,0.73,1.0,0.6890206291549585,0.5406414913302721,0.40303954492495375,0.4135939962990885,0.5115739154273182
EOS-3-32335,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnn[nH]6)n5)n34)cn2)nn1,VKVGIXOLZFVWMR-UHFFFAOYSA-N,3,1,0.289,76,14,434.427,2.194,6,0.437,0.56,0.999,0.06712185593859228,0.107514906449181,0.07980947159207731,0.08659447604687821,0.0852601775066822
EOS-3-32336,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5cncc(Cl)c5)n34)c(F)c2)nc1,MVBMHCKDAHUOAH-UHFFFAOYSA-N,3,1,0.413,13,374,432.846,5.142,5,0.391,0.78,1.0,0.8712219861558494,0.8966143513124529,0.8691916249742992,0.8740490713453499,0.8777692584469879
EOS-3-32337,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)c(F)c4)n23)ncc1F,YTFWLOYZYLDKOX-UHFFFAOYSA-N,3,1,0.495,37,795,452.45,3.308,5,0.387,0.64,1.0,0.6148738948666986,0.6076519772462476,0.28854259475018845,0.3180984853676924,0.45729173805770684
EOS-3-32338,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5c[nH]nn5)n4)n23)nc1,OFYYLGUIRFHMTF-UHFFFAOYSA-N,3,1,0.25,99,259,422.416,1.829,6,0.45,0.59,0.896,0.03371084915358783,0.04862586525940649,0.05704715235419094,0.06664210814885889,0.05150649372901103
EOS-3-32339,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)nn4)n23)nc1,JKGLIZANMNJHDI-UHFFFAOYSA-N,3,1,0.262,39,944,455.829,2.804,6,0.386,0.6,0.642,0.2231169899252964,0.27869919813583716,0.07780481118497704,0.15817969981495442,0.18445017476526626
EOS-3-32340,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cncs1,KVFGNCBTEVTPJC-UHFFFAOYSA-N,3,1,0.549,35,361,431.481,3.335,5,0.387,0.67,1.0,0.5142724967445685,0.3957833596052361,0.3470546912480296,0.24277808237954904,0.37497215749434587
EOS-3-32341,Cc1nc(-c2nnc3cncc(OCc4ncc(F)cn4)n23)ccc1-c1cnn(C)c1,MDWMAHKTEGGYAS-UHFFFAOYSA-N,3,1,0.37,51,924,417.408,2.403,5,0.429,0.67,0.998,0.40913919539442123,0.36255225824138165,0.19522308272222602,0.14273353437050237,0.2774120176821328
EOS-3-32342,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)nn4)n23)nc1,GLVFKAHQZYMACE-UHFFFAOYSA-N,3,1,0.5,46,128,417.82,2.666,5,0.425,0.62,1.0,0.5018247549859502,0.6308854773490508,0.12354362278116647,0.19336406003700912,0.36240447878829407
EOS-3-32343,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(COc3ccc(Cl)nn3)n12,QKWXVLIYQNIYSN-UHFFFAOYSA-N,3,1,0.374,14,351,439.863,4.076,5,0.407,0.67,1.0,0.6065725447193475,0.6700191899115894,0.5989651154821465,0.6370622301418682,0.6281547700637379
EOS-3-32344,O=c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc(-c2ccc(F)nc2)[nH]1,KRGVHWFDPJRSPL-UHFFFAOYSA-N,3,1,0.454,72,132,464.848,2.746,5,0.38,0.64,1.0,0.4481786717839764,0.49985436227811664,0.4780601055445137,0.5313292440545542,0.4893555959152902
EOS-3-32345,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cc(C(F)F)nc(C)n5)nc4)n23)cn1,WMAIYWXVBPIIJK-UHFFFAOYSA-N,3,1,0.421,7,535,461.436,3.567,5,0.374,0.63,1.0,0.57484065519841,0.5223682406963196,0.4209786854910561,0.26947262010828593,0.446915050373518
EOS-3-32346,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)nc5F)n4)n23)cc1,DIXLSGYGDSGVOY-UHFFFAOYSA-N,3,1,0.326,98,973,474.851,2.417,6,0.353,0.68,1.0,0.042329175519155646,0.2172914810499623,0.09896511548214652,0.17963127955589062,0.13455426290178876
EOS-3-32347,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cc(F)cc(Cl)c5)n4)n23)cc1,KEMIVJYSFQYSMI-UHFFFAOYSA-N,3,1,0.317,3,635,471.887,4.232,6,0.382,0.7,1.0,0.06916935096977589,0.23772359673771504,0.5669162497429923,0.6457662257556027,0.37989385580152146
EOS-3-32348,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,PCKZZSQZVSBENY-UHFFFAOYSA-N,3,1,0.478,18,181,447.861,4.057,5,0.387,0.61,1.0,0.7317267493660475,0.670027756836406,0.6718782125968062,0.7086560208347612,0.6955721849085053
EOS-3-32349,Fc1ccc(-c2nccnc2COc2cncc3nnc(-c4ccc(F)cc4)n23)cc1,XSGNOUMRQARAEZ-UHFFFAOYSA-N,3,1,0.592,34,929,416.391,4.106,5,0.429,0.75,1.0,0.932638270166541,0.9197364813926393,0.7846018093345213,0.8185439654581591,0.8638801315879653
EOS-3-32350,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(C#N)c5)nn4)n23)c(Cl)c1,MKMDBRIXTFLEIQ-UHFFFAOYSA-N,3,1,0.319,98,39,479.895,3.36,6,0.376,0.73,1.0,0.04663833870193955,0.2633644027140018,0.4608577205126448,0.5576982386402577,0.332139675142211
EOS-3-32351,Cc1noc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)ccn2)n1,YUHKRJXMRFAKNO-UHFFFAOYSA-N,3,1,0.456,75,99,438.81,3.311,5,0.381,0.68,1.0,0.7374066205194983,0.598125556850113,0.4133798231786718,0.419924953738606,0.5422092385717223
EOS-3-32352,Cc1nnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ccn2)s1,VXGDXIZBDLVBDI-UHFFFAOYSA-N,3,1,0.488,13,110,423.408,4.084,5,0.43,0.72,1.0,0.569503461037626,0.617212665341649,0.4919128229730656,0.527825371804537,0.5516135802892194
EOS-3-32353,CCn1ccnc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)cc1,IAUIAFIKLFMQQZ-UHFFFAOYSA-N,3,1,0.28,9,553,444.502,4.799,6,0.38,0.75,1.0,0.14550065108628607,0.03486738400383798,0.3959375642519361,0.42624734425330685,0.25063823589884177
EOS-3-32354,Fc1ncc(COc2cncc3nnc(-c4cnc(-c5cncnc5)cn4)n23)cc1Cl,BTPRBHOGMNLOLN-UHFFFAOYSA-N,3,1,0.422,7,435,435.81,2.805,5,0.384,0.6,1.0,0.737415187444315,0.6555667877458707,0.5233106024261531,0.5347560139812213,0.6127621478993901
EOS-3-32355,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5)n34)nc2C)nc1,MBAIKTJDPNIOCQ-UHFFFAOYSA-N,3,1,0.467,49,690,453.506,3.89,5,0.366,0.71,0.998,0.40462442601603726,0.18489993831814133,0.34318244123089575,0.1878041258309917,0.2801277328490165
EOS-3-32356,Cn1c(-c2cc(F)cnc2F)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,ZDIKZHLNHBSSLN-UHFFFAOYSA-N,3,1,0.313,30,474,467.443,3.989,6,0.362,0.72,0.713,0.1757247618394901,0.319760468782126,0.3658162565965321,0.4913816736344322,0.3381707902131451
EOS-3-32357,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)cc4)n23)c(F)n1,YNTHWSFLXVOECN-UHFFFAOYSA-N,3,1,0.291,38,369,438.426,4.048,6,0.383,0.66,1.0,0.20958124871496128,0.23263484339661436,0.4642245219655952,0.4672657802755123,0.34342659858817076
EOS-3-32358,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc(Cl)n1,MEZXWOVIPAYNNH-UHFFFAOYSA-N,3,1,0.484,58,954,467.32,3.91,5,0.35,0.72,0.999,0.5894215612363786,0.5786786375162771,0.45396991296004385,0.5110684668631348,0.5332846446439585
EOS-3-32359,Clc1ccc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)cn1,XJWLEPWPLNDMBK-UHFFFAOYSA-N,3,1,0.608,90,281,421.675,4.163,4,0.45,0.63,1.0,0.8554074429442807,0.9501918991158934,0.79959392776369,0.8963744774175861,0.8753919368103625
EOS-3-32360,Cc1nc(COc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)ccc1F,LJNVCXDXIPWKJP-UHFFFAOYSA-N,3,1,0.451,46,88,414.404,3.065,5,0.432,0.73,1.0,0.48679836885751493,0.41027002947022134,0.3959461311767528,0.34343088205057914,0.40911135288876704
EOS-3-32361,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,UYUDNZSAUACKOW-UHFFFAOYSA-N,3,1,0.333,8,474,456.857,3.352,6,0.367,0.63,1.0,0.20958981563977794,0.2531012267836337,0.10661537934343088,0.19870982112260982,0.1920040607223631
EOS-3-32362,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,IKBXJTRDULWRMZ-UHFFFAOYSA-N,3,1,0.571,11,0,436.447,4.21,5,0.371,0.72,1.0,0.8599993146460146,0.8917397710917689,0.6801795627441574,0.6685885134672058,0.7751267904872867
EOS-3-32363,COc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(F)s5)c4)n23)ccn1,KHSNDLPWYBJFNA-UHFFFAOYSA-N,3,1,0.477,1,666,433.468,4.642,5,0.388,0.74,1.0,0.7673651566033857,0.7090158316770612,0.7501199369474334,0.6370707970666849,0.7158929305736412
EOS-3-32364,Fc1cc(-c2nc(Cc3cncc4nnc(-c5ccc(Cl)nc5)n34)cnc2F)ccn1,DVUVRSLDOATARZ-UHFFFAOYSA-N,3,1,0.366,85,81,436.813,3.561,5,0.397,0.58,0.999,0.3918597080392022,0.5313463779041875,0.6316565005825509,0.7142073881159618,0.5672674936604756
EOS-3-32365,Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5sccc5F)n34)c2)ncn1,ZABNYJKJBBIFEJ-UHFFFAOYSA-N,3,1,0.396,18,181,433.472,3.774,5,0.402,0.64,1.0,0.6288551161675006,0.5361095881022548,0.3510554451374135,0.32114831060242616,0.45929211500239875
EOS-3-32366,COc1ccc(Oc2cncc3nnc(-c4ccnc(-c5nc(C)c(F)[nH]5)c4)n23)c(F)c1,WPJJUPMRIOBISN-UHFFFAOYSA-N,3,1,0.457,13,239,435.394,3.964,5,0.446,0.64,1.0,0.719416078404496,0.6308940442738674,0.6881725035981084,0.5736669864985265,0.6530374031937496
EOS-3-32367,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)ncn1,PZNVAWJVIUKYRZ-UHFFFAOYSA-N,3,1,0.517,16,256,435.9,4.246,5,0.407,0.68,1.0,0.6647419642245219,0.6747052977863066,0.49192138989788226,0.49764409567541634,0.5822531868960318
EOS-3-32368,Cc1noc(-c2cc(F)c(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)cn2)n1,DAGPHMUCASGZTG-UHFFFAOYSA-N,3,1,0.337,94,515,469.415,3.947,6,0.378,0.68,1.0,0.35771194571996434,0.41027859639503805,0.44667945994105956,0.5077187992598177,0.43059720032896986
EOS-3-32369,N#Cc1cc(-c2cccnc2F)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,CYNNDXIBGUTZKL-UHFFFAOYSA-N,3,1,0.462,72,418,458.844,3.886,5,0.364,0.7,0.99,0.769986635597286,0.8491964224521965,0.7948564183400727,0.8076554040161743,0.8054237201014324
EOS-3-32370,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccnc(F)c5)c4)n23)ccn1,KVTCDKNFSXWFMA-UHFFFAOYSA-N,3,1,0.612,11,595,448.408,4.287,5,0.361,0.7,1.0,0.9678140634637791,0.9733568638201631,0.9289030909464738,0.9193167020766225,0.9473476800767596
EOS-3-32371,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ncc4F)n23)ccc1F,WOZLHCMLKWCYJZ-UHFFFAOYSA-N,3,1,0.545,26,125,451.412,3.626,5,0.367,0.66,1.0,0.8397042697553286,0.780275512302104,0.8621324789253649,0.8283873620725104,0.827624905763827
EOS-3-32372,Cn1cnnc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,WKBOHFSHDGVWJE-UHFFFAOYSA-N,3,1,0.456,28,363,461.489,3.623,6,0.37,0.65,1.0,0.504386265506134,0.21730004797477898,0.32862723596737714,0.31516003015557537,0.3413683949009664
EOS-3-32373,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cn2)cn1,MIEBMDLHVRYALI-UHFFFAOYSA-N,3,1,0.433,92,399,419.836,2.609,5,0.4,0.66,1.0,0.38755911178123503,0.5597114659721746,0.31010554451374134,0.2962014255362895,0.3883943869508601
EOS-3-32374,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ncn2)c(C)n1,UGCAITABWRSAMQ-UHFFFAOYSA-N,3,1,0.363,31,113,443.446,3.077,5,0.404,0.59,1.0,0.5721506408059763,0.4330409156329244,0.2589181687341512,0.1631656500582551,0.3568188438078267
EOS-3-32375,Fc1cncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5conn5)cn4)n23)c1,RXOQQFGGCUUWAF-UHFFFAOYSA-N,3,1,0.265,39,953,438.386,2.894,6,0.404,0.57,0.992,0.2741587279830032,0.24822664656294977,0.24833801658556645,0.3119560002741416,0.27066984785141524
EOS-3-32376,N#Cc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ncc(Cl)cn4)n23)c1,PKOPRCLYLOKDOZ-UHFFFAOYSA-N,3,1,0.314,50,261,412.804,2.625,5,0.438,0.73,0.997,0.20125419779316017,0.2736104447947365,0.23748372284284833,0.4070488657391543,0.2798493077924748
EOS-3-32377,Fc1ncccc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)[nH]n1,XSVITDPTTJIZMT-UHFFFAOYSA-N,3,1,0.5,4,963,422.811,3.343,5,0.433,0.67,1.0,0.4598382564594613,0.44159070659995886,0.5861832636556782,0.6279555890617504,0.5288919539442122
EOS-3-32378,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4Cl)n23)c1F,CNOYWHAJYPIMNL-UHFFFAOYSA-N,3,1,0.505,37,832,450.865,3.694,5,0.42,0.63,1.0,0.7699952025221026,0.8090261119868412,0.6470683983277363,0.6457747926804195,0.7179661263792749
EOS-3-32379,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)ccc1-c1cncnn1,TZLBTYOCYIECCA-UHFFFAOYSA-N,3,1,0.346,42,171,465.427,4.046,6,0.384,0.63,1.0,0.3216109245425262,0.46818244123089575,0.8432595435542458,0.854704955109314,0.6219394661092454
EOS-3-32380,NC(=O)c1ccc(-c2nnc3cncc(Oc4cnnc(-c5ccnc(F)c5)c4)n23)c(F)c1,UJBSCPJFHLBQLB-UHFFFAOYSA-N,3,1,0.42,13,374,446.377,2.813,5,0.407,0.55,0.991,0.6616664382153382,0.5044119662805839,0.6411058186553354,0.5672931944349257,0.5936193543965459
EOS-3-32381,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ccc5F)n34)cn2)no1,FNBWHYRSVCRVEK-UHFFFAOYSA-N,3,1,0.43,55,390,438.81,3.311,5,0.381,0.71,0.997,0.572159207730793,0.6895946131176752,0.28119217325748747,0.3181070522925091,0.46526326159961623
EOS-3-32382,c1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncon6)cn5)n34)nc2)cn1,UAKWLZNZXRRMAZ-UHFFFAOYSA-N,3,1,0.385,80,855,451.41,2.062,6,0.364,0.64,1.0,0.3875676787060517,0.26856452607771913,0.0778133781097937,0.06336954286889178,0.19932878144061406
EOS-3-32384,Cn1cc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,FXTSVRLXOKDQNN-UHFFFAOYSA-N,3,1,0.44,92,466,433.863,2.652,5,0.376,0.62,1.0,0.4181430333767391,0.3911572202042355,0.33246521828524433,0.3371256253855116,0.36972277431293266
EOS-3-32385,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ccn1,DRLTXNFRBAJMLQ-UHFFFAOYSA-N,3,1,0.511,65,265,435.398,2.277,5,0.4,0.58,0.996,0.5118394900966349,0.4102871633198547,0.4100044548009047,0.3977366184634364,0.43246693167020767
EOS-3-32386,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(Cl)nc5)cn4)n23)nc1,FTHGYAGEKFJUAG-UHFFFAOYSA-N,3,1,0.282,70,72,466.896,3.759,6,0.361,0.7,1.0,0.10283736549928038,0.20282194503461037,0.4067918579946542,0.4294513741347406,0.2854756356658214
EOS-3-32387,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3cncc(F)c3F)n12,WMAZYTWBDSGYEG-UHFFFAOYSA-N,3,1,0.436,55,564,450.409,2.848,5,0.389,0.59,0.996,0.637482009457885,0.44159927352477557,0.5233191693509698,0.39774518538825304,0.5000364094304709
EOS-3-32388,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)n1,KSZSMDLWIDWAEH-UHFFFAOYSA-N,3,1,0.505,65,981,428.431,3.107,5,0.38,0.64,1.0,0.8397128366801453,0.8354122404221781,0.35106401206223015,0.2993283530943732,0.5813793605647317
EOS-3-32389,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)cn1,HWARPLNSVOGQIQ-UHFFFAOYSA-N,3,1,0.441,18,840,428.431,3.107,5,0.38,0.64,1.0,0.6829895140840244,0.5838787608799945,0.4466880268658762,0.36615036666438217,0.5199266671235693
EOS-3-32390,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5ccn(C)n5)n(C)n4)n23)ccc1F,WPDSXNPTKJKXAG-UHFFFAOYSA-N,3,1,0.417,31,477,433.451,2.389,5,0.405,0.64,1.0,0.3169076828181756,0.1936810362552258,0.10934822835994791,0.08144575423206087,0.17534567541635257
EOS-3-32391,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(F)cn5)cn4)n23)nc1,QJVPYZMKSBROMC-UHFFFAOYSA-N,3,1,0.398,51,48,415.392,2.46,5,0.427,0.68,1.0,0.5581865533548077,0.5639435268316085,0.20933280789527792,0.17393427455280652,0.37634929065862516
EOS-3-32392,CC(C)(C)c1ncc(COc2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)cn1,OVOWTFUWUZNVFA-UHFFFAOYSA-N,3,1,0.506,16,879,456.485,4.054,5,0.39,0.66,1.0,0.7007573161537934,0.6555753546706874,0.30290932766774037,0.18781269275580836,0.4617636728120074
EOS-3-32393,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5c(F)cnn5C)n34)ccn2)cn1,ODGGQCCHOYVLPP-UHFFFAOYSA-N,3,1,0.478,75,530,431.435,2.446,5,0.403,0.6,1.0,0.4389349599067919,0.3864968131039682,0.13496333356178467,0.11369165924199849,0.2685216914536358
EOS-3-32394,Fc1ccnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)s2)c1,YGEJYNRSWWXMAL-UHFFFAOYSA-N,3,1,0.323,86,944,454.454,3.363,6,0.395,0.61,0.992,0.12650777876773353,0.3043400041121239,0.15329655266945377,0.22819717634158043,0.2030853779727229
EOS-3-32395,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)cn1,FZKPVKPHEXHGQY-UHFFFAOYSA-N,3,1,0.511,87,490,445.433,3.851,5,0.392,0.61,1.0,0.7495802206839832,0.7229627852785964,0.6613665958467548,0.6339695702830512,0.6919697930230964
EOS-3-32396,Cc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1ncnn1C,BOMRBPVBJNNSTN-UHFFFAOYSA-N,3,1,0.43,46,223,452.4,3.287,5,0.378,0.63,0.967,0.5695120279624426,0.5087296963881845,0.6379017887739017,0.5982540607223631,0.578599393461723
EOS-3-32397,Cc1ncc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5ncnn5C)cn4)n23)cn1,URYQVLHTUPWSIB-UHFFFAOYSA-N,3,1,0.268,86,652,453.495,2.871,6,0.396,0.6,0.539,0.032520046604071005,0.045027756836406,0.04297169488040573,0.037591666095538344,0.03952779110410527
EOS-3-32398,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5cccs5)n4)n23)cc1,YAEFEWHWZILOTF-UHFFFAOYSA-N,3,1,0.422,67,415,456.495,2.808,6,0.376,0.65,1.0,0.33674011376876156,0.2579843739291344,0.06297546432732506,0.05735556164759098,0.17876387841820301
EOS-3-32399,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(F)c5)n34)ccn2)nc1,WNVHPFQGADIFQP-UHFFFAOYSA-N,3,1,0.612,73,166,449.396,3.682,5,0.391,0.6,1.0,0.8974196422452196,0.8583458981563977,0.7567593036803509,0.7614197107806182,0.8184861387156466
EOS-3-32400,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2F)c(F)c1,DZRHPFMIBYVULE-UHFFFAOYSA-N,3,1,0.529,73,141,449.396,3.682,5,0.391,0.6,1.0,0.9186056473168391,0.910021588650538,0.7664056610239188,0.7714515797409361,0.841621119183058
EOS-3-32401,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)nc1,BIDMMOWABZSBFE-UHFFFAOYSA-N,3,1,0.517,73,141,449.396,3.682,5,0.391,0.6,1.0,0.8957233911315194,0.8457610856007127,0.6990696319649099,0.7056832979233775,0.7865593516551299
EOS-3-32402,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2F)nc1,QUMTZQKQFKEAFE-UHFFFAOYSA-N,3,1,0.448,18,814,450.384,3.077,5,0.364,0.62,0.999,0.822236310054143,0.7676821328216024,0.4887344938660818,0.5146408745116853,0.6483234528133781
EOS-3-32403,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)n5)ccc4F)n23)cc1,VQYRPNPZLVCPIC-UHFFFAOYSA-N,3,1,0.549,43,250,415.432,3.613,5,0.436,0.74,1.0,0.7814920156260708,0.6404461654444521,0.6774638475772736,0.6011753820848468,0.6751443526831609
EOS-3-32404,Cn1cncc1-c1ncc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cn1,TTYPJXBBTBPINN-UHFFFAOYSA-N,3,1,0.427,7,535,420.824,2.004,5,0.42,0.64,1.0,0.4276180522239737,0.437538551161675,0.10662394626824755,0.11126721951888151,0.27076194229319445
EOS-3-32405,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5nncs5)c4)n23)cn1,ZPNURXUEFPBFPY-UHFFFAOYSA-N,3,1,0.549,75,241,420.433,2.86,5,0.386,0.73,1.0,0.740353642656432,0.6845401274758413,0.25892673565896784,0.2605373175245014,0.48608945582893565
EOS-3-32406,Cn1cnc(-c2cccc(-c3nnc4cncc(Oc5cc(Cl)c(F)cc5F)n34)c2)cc1=O,SEOMENBVGHKPQK-UHFFFAOYSA-N,3,1,0.43,13,145,466.835,4.276,5,0.367,0.75,1.0,0.6769926667123569,0.7136762387773284,0.8988417517647865,0.8963830443424029,0.7964734253992186
EOS-3-32407,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)c(F)c4)n23)nc1,VVECORSUAHXTEX-UHFFFAOYSA-N,3,1,0.349,38,572,467.443,3.989,6,0.362,0.69,1.0,0.26108560071276815,0.3094201905284079,0.6082345281337811,0.6279641559865671,0.45167611884038106
EOS-3-32408,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cnc(F)cn6)cn5)n34)cn2)nc1,AKKSBDHIOCHXSO-UHFFFAOYSA-N,3,1,0.361,86,443,466.415,3.441,6,0.385,0.6,1.0,0.32161949146734287,0.45946987869234457,0.4887430607908985,0.5146494414365019,0.44612046809677197
EOS-3-32409,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5cc(-c6cncnn6)ccc5F)n34)cn2)nc1,AAFWIJCCOWAOMY-UHFFFAOYSA-N,3,1,0.279,39,72,466.415,3.441,6,0.385,0.6,1.0,0.30905181276129123,0.3437392913439792,0.5893016242889453,0.642767802069769,0.4712151326159961
EOS-3-32410,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)nc4)n23)c1,AMDPOZNUWJGVHY-UHFFFAOYSA-N,3,1,0.531,59,16,450.836,4.759,5,0.359,0.76,1.0,0.8940357069426359,0.9178517579329724,0.907545747378521,0.9182030018504558,0.9094090535261463
EOS-3-32412,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)cnn4)n23)c1F,KIIGIIYNUKDUJQ-UHFFFAOYSA-N,3,1,0.5,54,873,432.394,2.938,5,0.403,0.57,1.0,0.6522770886162703,0.5786872044410938,0.617238366116099,0.6223699540812829,0.6176431533136865
EOS-3-32413,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)nc1Cl,CKCLHXRNVUJHBT-UHFFFAOYSA-N,3,1,0.43,46,223,453.84,4.097,5,0.373,0.68,0.987,0.6890291960797752,0.6454835172366528,0.8530429716948804,0.8547135220341306,0.7605673017613597
EOS-3-32414,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)nn1,AUJGTEWYUCZDHV-UHFFFAOYSA-N,3,1,0.489,73,564,450.384,3.343,5,0.402,0.57,1.0,0.7286255225824139,0.6994808443561099,0.722251730518813,0.7056918648481941,0.7140124905763827
EOS-3-32415,FC(F)CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,LJFZFTYDGIHRHM-UHFFFAOYSA-N,3,1,0.483,65,349,462.464,3.722,5,0.329,0.75,1.0,0.3436707559454458,0.2891251456377219,0.570300185045576,0.5110770337879514,0.42854328010417375
EOS-3-32416,Clc1nccnc1CCOc1cncc2nnc(-c3cncc(-c4ccccn4)c3)n12,LPIRFQWRMDIOJQ-UHFFFAOYSA-N,3,1,0.453,87,307,430.859,3.313,5,0.404,0.61,0.998,0.6647505311493387,0.6747138647111233,0.2520046604071003,0.3241381673634432,0.47890180590775133
EOS-3-32417,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(F)cc4Cl)n23)cc1,WNLXSOTZHQVEHB-UHFFFAOYSA-N,3,1,0.568,15,353,449.877,4.001,5,0.364,0.66,1.0,0.9380011651017751,0.8701082859296827,0.6855081899801247,0.6774124460283737,0.7927575217599891
EOS-3-32418,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cc2)ccn1,HVDIFQKXTBOIGX-UHFFFAOYSA-N,3,1,0.364,69,958,427.471,4.977,6,0.395,0.77,1.0,0.15943047083818793,0.17653861969707355,0.7753580974573367,0.7761034199163868,0.4718576519772462
EOS-3-32420,Clc1cncc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ncon5)c4)n23)c1,SBHHMCLKIZZJQT-UHFFFAOYSA-N,3,1,0.562,73,82,440.25,4.122,5,0.402,0.66,1.0,0.8248577890480433,0.8207542320608594,0.6881810705229251,0.7665341648961689,0.7750818141319992
EOS-3-32421,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)nc2)cs1,XIGYESHZRGUYDX-UHFFFAOYSA-N,3,1,0.404,46,223,437.435,3.87,5,0.386,0.69,1.0,0.6647590980741553,0.5838873278048112,0.5989736824069632,0.534764580906038,0.595596172297992
EOS-3-32422,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nccnc4-c4ccccc4F)n23)c1,QUYURRNBFVEHRV-UHFFFAOYSA-N,3,1,0.355,64,449,464.439,4.651,6,0.375,0.73,0.999,0.26374991433075184,0.36761531080803234,0.5736412857240765,0.7086645877595779,0.47841777465560964
EOS-3-32423,FC(F)(F)c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1Cl,INEZXSPXGPBBMT-UHFFFAOYSA-N,3,1,0.645,90,240,454.239,5.133,4,0.391,0.79,1.0,0.9772462476869302,0.9850250154204647,0.9942173257487492,0.9926495785072991,0.9872845418408608
EOS-3-32424,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)cc1,GHTMPLBVMWSSNY-UHFFFAOYSA-N,3,1,0.384,14,357,408.425,2.333,5,0.473,0.82,1.0,0.140034953053252,0.04503632376122267,0.3431910081557124,0.2605458844493181,0.19720204235487626
EOS-3-32425,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)nc1,UCYSNVQAWFZVOV-UHFFFAOYSA-N,3,1,0.429,44,692,446.873,4.928,5,0.381,0.73,1.0,0.7225001713384963,0.655583921595504,0.8605989993831814,0.8547220889589473,0.7733512953190322
EOS-3-32426,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4F)n23)n(C)n1,UBLICCQOFJZMBB-UHFFFAOYSA-N,3,1,0.455,36,202,416.42,3.008,5,0.435,0.71,1.0,0.43660475635665824,0.5361181550270715,0.4431755876910424,0.38861284353368514,0.4511278356521143
EOS-3-32427,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)ncn2)cn1,QRSKSCQBRQJDCZ-UHFFFAOYSA-N,3,1,0.494,44,971,418.367,3.417,5,0.437,0.67,1.0,0.7286340895072305,0.545284764580906,0.6111815502707149,0.5892159550407786,0.6185790898499075
EOS-3-32428,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)c1,PJIKNVOTQAGFKU-UHFFFAOYSA-N,3,1,0.454,26,448,445.914,4.611,5,0.379,0.72,1.0,0.4529761496813104,0.45050887533411005,0.6021605784387636,0.5446251113700226,0.5125676787060517
EOS-3-32429,COc1ccc(-c2nnc3cncc(-c4cncc(-c5ccnc(Cl)c5F)c4)n23)cn1,WWJCYQBDXXOZKU-UHFFFAOYSA-N,3,1,0.315,2,859,433.834,4.111,5,0.394,0.66,0.999,0.537574532245905,0.6260108971283668,0.8118189294770749,0.7809865670618875,0.6890977314783086
EOS-3-32430,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc(F)n2)nc1,CNRJXOGNKPARKV-UHFFFAOYSA-N,3,1,0.628,34,232,450.836,4.759,5,0.359,0.73,1.0,0.9824292372010143,0.9854876293605648,0.9075543143033377,0.9214670002056062,0.9492345452676307
EOS-3-32431,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(Cl)c1,VBJYMZQFPHDAJM-UHFFFAOYSA-N,3,1,0.566,43,402,468.855,4.152,5,0.369,0.71,1.0,0.8372798300322116,0.8207627989856761,0.835309437324378,0.842377150298129,0.8339323041600987
EOS-3-32432,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ncn2)s1,GJCOMSCVSDAFOE-UHFFFAOYSA-N,3,1,0.343,31,395,438.864,2.431,5,0.377,0.64,0.188,0.36907168802686585,0.41029573024467136,0.021203138921252827,0.03127784250565417,0.20796209992461104
EOS-3-32433,COCc1nccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)n1,UPCWBKTXTXJDHW-UHFFFAOYSA-N,3,1,0.427,46,122,444.43,2.903,5,0.35,0.66,1.0,0.4868069357823316,0.44628538139949286,0.22675793297238023,0.18782125968062505,0.3369178774587074
EOS-3-32434,Fc1ccccc1Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1,JURWKWQXBPCHCX-UHFFFAOYSA-N,3,1,0.527,79,881,462.872,4.788,5,0.343,0.81,1.0,0.9158299636762388,0.947005003084093,0.7274518538825303,0.7588067987115346,0.8372734048385991
EOS-3-32435,COc1ccc(-c2nnc3cncc(Cc4cncc(-c5cn(C)nc5C)c4)n23)cn1,IGROKIGXAQIOHH-UHFFFAOYSA-N,3,1,0.32,85,290,412.457,2.89,5,0.438,0.78,1.0,0.08814508943869509,0.07820745665136043,0.2812007401823042,0.15011822356247,0.14941787745870744
EOS-3-32436,Fc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncccn1,CDNCFQGEKBMPFQ-UHFFFAOYSA-N,3,1,0.438,58,814,448.849,3.452,5,0.364,0.65,1.0,0.8064817353162909,0.8011873757795902,0.332473785210061,0.3886214104585018,0.5821910766911109
EOS-3-32437,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cc5)n34)cn2)ccn1,MYAZTXIXWFANOD-UHFFFAOYSA-N,3,1,0.312,42,150,448.465,4.549,6,0.368,0.7,1.0,0.025238160509903365,0.1765471866218902,0.7589267356589678,0.7246847371667466,0.421349204989377
EOS-3-32438,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2Cl)n1,YOCOIBLLSFGXHB-UHFFFAOYSA-N,3,1,0.482,51,196,455.265,3.826,5,0.39,0.67,1.0,0.7466503323966829,0.6650161058186553,0.3064217668425742,0.3886299773833185,0.5266795456103077
EOS-3-32439,Cc1nc(C)c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccn2)c(C)n1,HODCADOAKPFPLP-UHFFFAOYSA-N,3,1,0.413,46,567,458.913,4.196,5,0.386,0.67,1.0,0.664767664998972,0.6700363237612227,0.25201322733191694,0.2282057432663971,0.45375573983962714
EOS-3-32440,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,KQAGQKRFDDMACZ-UHFFFAOYSA-N,3,1,0.518,1,418,432.846,4.62,5,0.403,0.72,1.0,0.82486635597286,0.9080254951682544,0.7948649852648894,0.84970187101638,0.8443646768555959
EOS-3-32441,CCc1nc(-c2nnc3cncc(OCc4ccnc(COC)n4)n23)ccc1-c1ccccn1,AVPVJZBGURCBLM-UHFFFAOYSA-N,3,1,0.427,49,690,454.494,3.326,5,0.348,0.66,0.93,0.29618429168665616,0.13731923788636832,0.08209684051812761,0.05306353231444041,0.14216597560139813
EOS-3-32442,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cc1,ZLOMIPYUNPBJQR-UHFFFAOYSA-N,3,1,0.321,64,27,454.4,4.244,6,0.389,0.65,1.0,0.33435850866972794,0.3865053800287849,0.6498697827427866,0.7220632581728462,0.5231992324035364
EOS-3-32443,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(Cl)n1,MCQQIVWKZIMQJK-UHFFFAOYSA-N,3,1,0.628,43,97,452.305,4.473,5,0.366,0.72,1.0,0.8222448769789596,0.8457696525255294,0.7299533959289973,0.7737560825166199,0.7929310019875265
EOS-3-32444,Cc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ncnn1C,QOMXDGWQMRECST-UHFFFAOYSA-N,3,1,0.441,31,773,431.435,2.446,5,0.377,0.65,1.0,0.5323744088821877,0.4241056130491399,0.13817593036803508,0.11824926324446576,0.3032263038859571
EOS-3-32445,Cc1nc(-c2cnnc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)c2)ncc1F,PFTHMJKZYYWPET-UHFFFAOYSA-N,3,1,0.381,7,535,466.387,2.792,5,0.368,0.64,1.0,0.5721677746556096,0.5639520937564252,0.377630045918717,0.30583921595504077,0.4548972825714481
EOS-3-32446,Fc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccc(F)nc4)n23)cc1,ODQVXZQAWZQEMA-UHFFFAOYSA-N,3,1,0.561,97,232,417.379,3.501,5,0.404,0.73,1.0,0.8957319580563361,0.8643341786032486,0.6613751627715715,0.6834092934000411,0.7762126482077993
EOS-3-32447,Fc1ccnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)c1,KHZDBQHIJHVQDE-UHFFFAOYSA-N,3,1,0.467,27,69,450.384,3.694,5,0.386,0.61,1.0,0.6709615516414228,0.7802840792269207,0.75012850387225,0.6889435268316085,0.7225794153930505
EOS-3-32448,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncn1,UBOZQKHOHWUMMK-UHFFFAOYSA-N,3,1,0.457,7,185,436.386,2.288,5,0.394,0.59,0.827,0.44818723870879307,0.43304948255774106,0.2957473785210061,0.2221917620450963,0.34979396545815916
EOS-3-32449,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4c(F)cccc4F)n23)nc1,HNOKBFJZTKZZAX-UHFFFAOYSA-N,3,1,0.309,39,449,467.443,3.989,6,0.387,0.65,0.997,0.24791823726954973,0.31976903570694265,0.47806867246933044,0.5412497429922555,0.3967514221095195
EOS-3-32451,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)nc2)nc1,PIJYLTSDZZBEKR-UHFFFAOYSA-N,3,1,0.302,86,459,448.425,3.301,6,0.4,0.56,1.0,0.2717428551847029,0.3197776026317593,0.22309985607566307,0.27539236515660337,0.27250316976218214
EOS-3-32452,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5nnc(C)s5)c4)n23)n1,AKGBINLBMODRDW-UHFFFAOYSA-N,3,1,0.512,4,241,416.47,3.296,5,0.43,0.75,1.0,0.2907100267288054,0.26337296963881845,0.07553457610856007,0.05307209923925708,0.17067241792886026
EOS-3-32453,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)cnn2)cs1,RLZXHOUWAMFASM-UHFFFAOYSA-N,3,1,0.474,65,778,434.46,3.169,5,0.401,0.62,0.991,0.6065811116441642,0.5732900418065932,0.2520217942567336,0.2515163456925502,0.42085232335001027
EOS-3-32454,COc1ncc(-c2nnc3cncc(OCc4cc(C)n(C)n4)n23)cc1-c1ncccc1F,LMHOCEKAUDODDQ-UHFFFAOYSA-N,3,1,0.436,92,677,446.446,3.017,5,0.392,0.62,1.0,0.3294667945994106,0.3385134672058118,0.22310842300047976,0.13152799671030088,0.25565417037900073
EOS-3-32455,COc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,HSTZSUYZIJFHQJ-UHFFFAOYSA-N,3,1,0.462,43,799,463.86,4.023,5,0.372,0.7,1.0,0.6917449112466589,0.7043725584264272,0.5301384415050373,0.5313378109793708,0.6143984305393736
EOS-3-32456,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cn1,NGSFOWUSXTXDCH-UHFFFAOYSA-N,3,1,0.315,38,57,436.504,4.377,6,0.408,0.64,1.0,0.11014495236789802,0.11639024055924885,0.38856144198478515,0.372575560276883,0.24691804879720375
EOS-3-32457,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nc2)nn1,YKQYDEJALXSWNC-UHFFFAOYSA-N,3,1,0.409,71,197,463.465,2.413,6,0.362,0.63,1.0,0.36908025495168256,0.2633815365636351,0.14406997464190255,0.12289253649509972,0.22485607566307997
EOS-3-32458,Fc1ccccc1-c1nnc2cncc(OCc3ncc(-c4ccc(Cl)nn4)nn3)n12,ZDFAHLLDAWDPRN-UHFFFAOYSA-N,3,1,0.506,53,820,435.81,2.805,5,0.41,0.55,1.0,0.6261308340758002,0.8247121513261599,0.25203036118155026,0.3822047837708176,0.521269532588582
EOS-3-32459,COc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)nc5C)n34)c2)nc1,BGPVVNUHZNTRHJ-UHFFFAOYSA-N,3,1,0.54,15,921,457.469,3.721,5,0.341,0.72,1.0,0.8534713179357138,0.6994894112809266,0.4466965937906929,0.31811561921732573,0.5794432355561647
EOS-3-32460,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5nnnn5C)n34)c2)s1,BRMSVSUARJSSNX-UHFFFAOYSA-N,3,1,0.518,36,460,420.462,1.763,5,0.404,0.69,1.0,0.34620656569117947,0.31978616955657596,0.004403399355767254,0.0032896991296004385,0.1684214584332808
EOS-3-32461,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)cc2)cc1,FSFLTKJBYKHCSH-UHFFFAOYSA-N,3,1,0.412,93,550,458.46,4.717,6,0.379,0.72,1.0,0.06336954286889178,0.3145260777191419,0.8336560208347612,0.8712048523062161,0.5206891234322528
EOS-3-32462,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)c(C)n1,XHXSZVXUXPGYKP-UHFFFAOYSA-N,3,1,0.446,55,564,445.433,4.117,5,0.402,0.62,1.0,0.8012216434788568,0.6505979713522034,0.6316650675073675,0.5607566307998081,0.661060328284559
EOS-3-32463,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)cc2C)nn1,XSQMNUMUATVOQR-UHFFFAOYSA-N,3,1,0.472,16,606,442.458,3.682,5,0.406,0.6,1.0,0.7101380988280447,0.5838958947296279,0.4030481118497704,0.29933692001918993,0.49910475635665824
EOS-3-32464,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,RRISGBXNVARIDH-UHFFFAOYSA-N,3,1,0.505,26,619,447.449,3.969,5,0.376,0.64,1.0,0.5804262901788774,0.4638818449729285,0.6990781988897266,0.659893084778288,0.600819854704955
EOS-3-32465,CCn1cnnc1-c1ncccc1-c1nnc2cncc(OCCc3cc(F)c(F)cn3)n12,KQNCLDXUEUQIKM-UHFFFAOYSA-N,3,1,0.465,37,908,449.425,2.759,5,0.373,0.6,0.992,0.5142810636693852,0.3819135083270509,0.17238366116098966,0.21383901034884517,0.32060431087656777
EOS-3-32466,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(O)Cc5cnco5)n4C)n23)cc1,IYSLSWYGSUGJCS-UHFFFAOYSA-N,3,1,0.315,74,139,443.467,2.421,5,0.413,0.64,1.0,0.1903056678774587,0.09141765471866219,0.49876636282639986,0.2754009320814201,0.2639726543759852
EOS-3-32467,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)[nH]n2)c1,RWTUORFOEGROAO-UHFFFAOYSA-N,3,1,0.444,59,910,423.358,3.573,5,0.465,0.65,0.898,0.5894301281611952,0.4813069700500308,0.8719073401411829,0.8796090055513672,0.7055633609759441
EOS-3-32468,Fc1ncncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccn1,PTUKBJRPBFYIMM-UHFFFAOYSA-N,3,1,0.495,75,265,466.839,3.591,5,0.35,0.67,0.999,0.8957405249811528,0.8583544650812145,0.7524073058734837,0.7614282777054349,0.8169826434103216
EOS-3-32469,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5nccn5C)cn4)n23)nc1,NGXDJEAPBVOXPJ-UHFFFAOYSA-N,3,1,0.385,80,816,465.481,2.356,6,0.364,0.63,1.0,0.35283736549928035,0.1563549448290042,0.10417380577068056,0.06848399698444246,0.1704625282708519
EOS-3-32470,c1cnc(-c2ccc(-c3nnc4cncc(-c5nccnc5-c5ccoc5)n34)cc2)nc1,QJVRYVITMMTPOM-UHFFFAOYSA-N,3,1,0.333,42,608,418.42,3.965,6,0.423,0.73,1.0,0.17036186690425606,0.097534439037763,0.32496915907066,0.34995031183606334,0.2357039442121856
EOS-3-32471,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccnc(Cl)c5)c4)n23)cc1,CCFRAFRHFOPDJS-UHFFFAOYSA-N,3,1,0.438,62,319,475.339,4.85,5,0.367,0.85,1.0,0.3117075594544582,0.3043485710369406,0.864916729490782,0.8769189911589336,0.5894729627852786
EOS-3-32472,Cn1ccc(-c2nncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)n1,ZEDPAMDOIFTRMA-UHFFFAOYSA-N,3,1,0.511,36,29,437.826,2.748,5,0.413,0.57,0.999,0.555522239736824,0.722971352203413,0.2957559454458228,0.3822133506956343,0.48911572202042347
EOS-3-32473,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccnc(CF)c5)ncn4)n23)n(C)n1,MNIQBMBTZSBSDV-UHFFFAOYSA-N,3,1,0.37,31,662,431.435,2.734,5,0.404,0.6,0.675,0.3090603796861079,0.184908505242958,0.17239222808580631,0.11604756356658213,0.1956021691453636
EOS-3-32474,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)n1,UQWSBRWWWYVDFQ-UHFFFAOYSA-N,3,1,0.478,75,658,421.424,2.531,5,0.406,0.62,0.998,0.6890377630045919,0.5639606606812418,0.277568364060037,0.24544239599753273,0.4440022959358509
EOS-3-32475,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cscn5)nc4)n23)c(F)c1,JUXXDAYRNACJLQ-UHFFFAOYSA-N,3,1,0.329,98,314,455.482,3.911,6,0.397,0.63,1.0,0.20676273045027757,0.3484253992186965,0.39959564114865326,0.42312898362003976,0.34447818860941676
EOS-3-32476,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncn(-c6cnccn6)n5)n34)c2)cc1,WROWIHQPPGGOHB-UHFFFAOYSA-N,3,1,0.473,40,177,465.452,3.547,6,0.367,0.66,1.0,0.28786580768967174,0.4010006168185868,0.4172349393461723,0.4702984716606127,0.39409995887876087
EOS-3-32477,CC(C)(N)c1ccc(-c2nnc3cncc(COc4cccc(-c5cccnn5)n4)n23)nc1,BOUPUHQNRVMPLA-UHFFFAOYSA-N,3,1,0.32,33,920,439.483,2.811,5,0.424,0.61,0.999,0.3318312658488109,0.11639880748406552,0.3622781166472483,0.17664142279487355,0.2467874031937496
EOS-3-32478,Cn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,ZMFBPAQIMITMKD-UHFFFAOYSA-N,3,1,0.41,32,474,465.908,4.364,6,0.381,0.7,1.0,0.09536700705914605,0.2787077650606538,0.2660287163319855,0.41993352066342265,0.265009252278802
EOS-3-32479,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2F)cc1=O,JVAHDAQXTKPGEE-UHFFFAOYSA-N,3,1,0.305,3,668,464.464,3.544,6,0.396,0.65,0.998,0.14293914056610238,0.24823521348776642,0.5956411486532794,0.6074806387499143,0.3985740353642656
EOS-3-32480,c1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnn[nH]6)cn5)n34)cc2)ncn1,RSEQUCYZMXTESV-UHFFFAOYSA-N,3,1,0.288,98,725,420.4,1.885,6,0.448,0.61,1.0,0.1677146871359057,0.11351175382084847,0.1261736686998835,0.1527568364060037,0.14003923651566036
EOS-3-32481,Cc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3ccc(F)c(C)c3F)n12,DQPZFIPDDCIGDS-UHFFFAOYSA-N,3,1,0.488,55,540,445.433,4.117,5,0.402,0.66,0.999,0.789793365773422,0.7090243986018778,0.7352391885408813,0.6485162086217532,0.7206432903844836
EOS-3-32482,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c1,WADQCPPTXZFXDT-UHFFFAOYSA-N,3,1,0.434,18,262,448.849,3.452,5,0.364,0.63,1.0,0.8712305530806662,0.8755825508875335,0.45028613528887673,0.4884346514974985,0.6713834726886437
EOS-3-32483,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6nnco6)n5)n34)cc2)cn1,OYQKTIUABKJDOO-UHFFFAOYSA-N,3,1,0.478,81,609,451.45,3.216,6,0.376,0.62,1.0,0.34843396614351313,0.24315502707148243,0.2920721677746556,0.22821431019121377,0.27796886779521623
EOS-3-32484,c1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)o2)nn1,AVAZLLZBXKHEGU-UHFFFAOYSA-N,3,1,0.473,56,425,439.399,1.995,6,0.404,0.55,1.0,0.542706120211089,0.37727880200123365,0.06914365019532588,0.05884620656569118,0.26199369474333495
EOS-3-32485,COc1ccccc1-c1ncccc1-c1nnc2cncc(-c3cn(-c4cncnn4)nn3)n12,FMYGZFNSHRJBDG-UHFFFAOYSA-N,3,1,0.364,10,342,449.438,2.295,6,0.386,0.59,0.998,0.009397916523884586,0.01493214995545199,0.11196970735384826,0.12063086834349941,0.06423266054417107
EOS-3-32486,Cn1ncc(-c2nnc3cncc(-c4cn(-c5cccnc5F)nn4)n23)c1-c1ccc(F)cc1,FFSUADBRZVPCEE-UHFFFAOYSA-N,3,1,0.337,10,620,456.42,3.113,6,0.376,0.63,1.0,0.01235350558563498,0.13732780481118498,0.40305667877458706,0.49139024055924885,0.261032057432664
EOS-3-32487,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ncc4Cl)n23)ccc1Cl,VPDLVECTOVKQQB-UHFFFAOYSA-N,3,1,0.5,16,772,465.304,4.233,5,0.38,0.68,1.0,0.772822287711603,0.8354208073469948,0.729961962853814,0.7737646494414365,0.777992426838462
EOS-3-32488,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nc1,PEONXGDAFYUAAI-UHFFFAOYSA-N,3,1,0.42,54,873,444.886,3.622,5,0.391,0.59,0.999,0.5427146871359056,0.5545627441573573,0.3431995750805291,0.3851946405318347,0.4564179117264067
EOS-3-32489,Fc1cc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)cn4)n23)ccn1,VEQJGTFJUCHGCJ-UHFFFAOYSA-N,3,1,0.404,46,128,434.822,3.41,5,0.387,0.62,1.0,0.6261394010006168,0.767690699746419,0.46423308889041187,0.5313463779041875,0.5973523918854088
EOS-3-32490,Cc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)n1,OZDLJXSCAHDACR-UHFFFAOYSA-N,3,1,0.363,31,194,429.419,2.502,5,0.375,0.64,0.948,0.5721763415804263,0.4952881913508327,0.15625214173120416,0.14274210129531903,0.3416146939894455
EOS-3-32491,N#Cc1ccc(CCOc2cncc3nnc(-c4cnc(Cl)c(-c5ncno5)c4)n23)nc1,NSDFBTPTTDKVLY-UHFFFAOYSA-N,3,1,0.485,87,552,445.83,2.778,5,0.358,0.7,1.0,0.6890463299294085,0.7182938112535124,0.36582482352134876,0.39174833801658554,0.5412283256802138
EOS-3-32492,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5nncs5)cnn4)n23)ccn1,NAAKQKALCMIPOQ-UHFFFAOYSA-N,3,1,0.444,53,466,437.876,2.77,5,0.369,0.62,1.0,0.5068621067781509,0.5452933315057227,0.1502038928106367,0.21658042629017887,0.3547349393461723
EOS-3-32493,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2F)no1,ZTHAYOFKRWJXIQ-UHFFFAOYSA-N,3,1,0.542,4,554,442.863,4.583,5,0.393,0.75,1.0,0.7403622095812488,0.8054280035638407,0.5401360427660887,0.5705486258652595,0.6641187204441095
EOS-3-32494,Cn1c(-c2ccc(F)nc2)nnc1-c1cncc2nnc(-c3nccnc3-c3cccc(F)c3)n12,MMJUTJRGKVOAGM-UHFFFAOYSA-N,3,1,0.322,39,854,468.431,3.384,6,0.362,0.67,0.931,0.11857480638749915,0.25310979370845044,0.2231169899252964,0.3693115619217326,0.24102828798574466
EOS-3-32495,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)cn1,FJCHKDHCEUPLKS-UHFFFAOYSA-N,3,1,0.301,76,14,427.453,3.365,6,0.421,0.61,0.607,0.15145466383387018,0.15240559248852031,0.10418237269549722,0.10886848057021452,0.12922777739702557
EOS-3-32496,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccoc5)cnn4)n23)cc1,FBHBWNDEFMSGJF-UHFFFAOYSA-N,3,1,0.517,89,534,413.397,2.519,5,0.449,0.75,1.0,0.42762661914879035,0.152414159413337,0.3432081420053458,0.2427866493043657,0.2915088924679597
EOS-3-32497,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)ccn2)o1,LPIUWXYEENAFJU-UHFFFAOYSA-N,3,1,0.412,71,502,467.453,2.314,6,0.355,0.68,1.0,0.31171612637927487,0.16003872250017134,0.049645329312589956,0.034473305462271266,0.13896837091357683
EOS-3-32498,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1Cl,WQRMBWOISUOVSO-UHFFFAOYSA-N,3,1,0.517,37,639,466.332,4.515,5,0.343,0.78,1.0,0.7955246384757727,0.7968011102734562,0.5956497155780961,0.6599016517031047,0.7119692790076075
EOS-3-32499,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)ccn1,LZWRVFGDMQCUCE-UHFFFAOYSA-N,3,1,0.391,46,160,451.824,4.154,5,0.371,0.68,1.0,0.7286426564320472,0.6994979782057432,0.8859399629908848,0.8935131245288191,0.8018984305393736
EOS-3-32500,COc1ccc(-c2nnc3cncc(OCc4csc(-c5cnccn5)n4)n23)cn1,YHHNUSAITMFPOH-UHFFFAOYSA-N,3,1,0.444,7,85,418.442,2.687,5,0.41,0.72,1.0,0.35523610444794734,0.37227571790829966,0.09631793571379618,0.053080666164073746,0.21922760605852923
EOS-3-32501,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ncn1,YRAKOPKISZWPOM-UHFFFAOYSA-N,3,1,0.381,31,194,435.398,2.277,5,0.4,0.57,0.912,0.5608594338976081,0.30435713796175723,0.24461997121513263,0.25152491261736687,0.3403403639229662
EOS-3-32502,CC(C)(O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cncc(CO)n5)c4)n23)cn1,RBFOLKYDQHOGQZ-UHFFFAOYSA-N,3,1,0.349,82,336,457.469,3.169,5,0.413,0.6,0.999,0.32420670276197655,0.46389041189774516,0.7501370707970667,0.5766911109588102,0.5287313241038997
EOS-3-32503,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)s1,BFHOBNCPFJNBQS-UHFFFAOYSA-N,3,1,0.398,46,565,435.9,4.246,5,0.381,0.72,1.0,0.5142896305942019,0.5223768076211364,0.45733671441299434,0.43866081831265846,0.48316599273524774
EOS-3-32504,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)cnc5F)ncn4)n23)cn1,UQAUDYMMCLZXDI-UHFFFAOYSA-N,3,1,0.484,4,354,432.394,3.204,5,0.39,0.62,1.0,0.6890548968542252,0.6944177917894593,0.5989822493317799,0.5243386334041532,0.6266983928449045
EOS-3-32505,Cc1ncc(F)cc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cnn1,OPTJTZHKXUAJBI-UHFFFAOYSA-N,3,1,0.427,53,602,463.864,3.156,5,0.374,0.62,0.645,0.6978616955657597,0.7415101775066822,0.3029178945925571,0.35302583784524705,0.5238289013775614
EOS-3-32506,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cncnn5)cn4)n23)cc1,ARHXDGJGWDNSRZ-UHFFFAOYSA-N,3,1,0.346,3,594,451.881,4.149,6,0.397,0.63,1.0,0.03777157151668837,0.22276574600781304,0.6287608799945171,0.7273404838599137,0.4041596703447331
EOS-3-32507,Cn1cnc(-c2ncnn2C)c1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)nc3)n12,SRSSXEYYVWDZHX-UHFFFAOYSA-N,3,1,0.258,99,286,424.432,1.772,6,0.453,0.59,0.213,0.04664690562675622,0.0377373038174217,0.022196902199986292,0.021417312041669523,0.03199960592145844
EOS-3-32508,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)ccn2)o1,JWRNFKYUTWWBPO-UHFFFAOYSA-N,3,1,0.511,75,496,451.849,3.959,5,0.382,0.65,1.0,0.7870947844561716,0.689603180042492,0.5470067164690563,0.5243472003289699,0.6370129703241725
EOS-3-32509,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)c(Cl)c4)n23)c1,SQKQASRGQGCWJS-UHFFFAOYSA-N,3,1,0.362,93,228,464.92,4.969,6,0.366,0.82,1.0,0.20959838256459462,0.2945480090466726,0.6082430950585977,0.7407562881228155,0.46328644369817007
EOS-3-32510,FCc1ccc(Cc2cncc3nnc(-c4ccnc(-c5ccc(C(F)(F)F)nn5)c4)n23)cn1,RLIBHZJGWOAXEY-UHFFFAOYSA-N,3,1,0.337,85,476,466.402,4.117,5,0.36,0.72,0.999,0.3117246933040916,0.3819220752518676,0.890420464670002,0.787728736892605,0.5929489925296416
EOS-3-32511,Fc1cc(Cl)cnc1Oc1cncc2nnc(-c3cc(-c4ccnc(Cl)c4)cnn3)n12,ZEGRTUQAQDXFOZ-UHFFFAOYSA-N,3,1,0.313,13,87,455.24,4.277,5,0.37,0.7,1.0,0.6492529641559865,0.6700448906860393,0.727460420807347,0.8056593105338907,0.7131043965458159
EOS-3-32512,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)n5)n34)ccn2)nc1,FPGRBJGSUYXWDO-UHFFFAOYSA-N,3,1,0.511,75,420,432.394,3.204,5,0.39,0.64,1.0,0.6890634637790419,0.6260194640531834,0.4887516277157152,0.42945994105955726,0.5583236241518744
EOS-3-32513,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccnnc6)n5)n34)cc2F)n1,ALEGFPLUJKRDOG-UHFFFAOYSA-N,3,1,0.318,32,572,461.464,4.215,6,0.384,0.65,1.0,0.3462151326159962,0.367623877732849,0.5703087519703927,0.5476835035295731,0.45795781646220274
EOS-3-32514,Cn1ncc(-c2nc(COc3cncc4nnc(-c5ccccc5F)n34)ccc2F)n1,QXJIYIHSKMBNEW-UHFFFAOYSA-N,3,1,0.518,4,10,420.383,2.839,5,0.431,0.62,1.0,0.48681550270714824,0.5270115139469536,0.41724350627098894,0.44518881502295937,0.4690648344870125
EOS-3-32515,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)nc1,RISQWQNGSPHGRT-UHFFFAOYSA-N,3,1,0.473,18,88,414.404,2.799,5,0.418,0.71,1.0,0.6065896785689808,0.5044205332054006,0.3470632581728463,0.34995887876088,0.45200808717702695
EOS-3-32516,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)cn1,JDIADOWJLXLFEQ-UHFFFAOYSA-N,3,1,0.329,38,154,423.465,3.762,6,0.459,0.63,1.0,0.10284593242409705,0.1807792474813241,0.29929408539510655,0.3058477828798574,0.22219176204509627
EOS-3-32517,COc1nc(-c2ccnc(F)c2)ccc1-c1nnc2cncc(OCc3ccc(CO)nn3)n12,MMJVRKBFOBHDHS-UHFFFAOYSA-N,3,1,0.423,4,710,460.429,2.257,5,0.361,0.68,0.998,0.4868240696319649,0.4952967582756494,0.28855116167500516,0.19337262696182578,0.3660111541361113
EOS-3-32518,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccsc5)n4)n23)nc1,FCPNAFCSSYCDHV-UHFFFAOYSA-N,3,1,0.422,7,128,421.873,3.937,5,0.424,0.66,1.0,0.4967274347200329,0.6217445685696662,0.36964567198958265,0.4420190528407923,0.4825341820300185
EOS-3-32519,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,JVFLDDMLZGVJJB-UHFFFAOYSA-N,3,1,0.359,62,124,408.425,2.67,5,0.487,0.81,1.0,0.20677129737509423,0.03487595092865465,0.39960420807346997,0.30585634980467413,0.23677695154547324
EOS-3-32520,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nn2C)c(C)n1,SJILPJQHKJZFMH-UHFFFAOYSA-N,3,1,0.39,31,602,464.921,2.782,5,0.361,0.68,0.928,0.18443732437804125,0.12698752655746692,0.028519292714687138,0.02941025289562059,0.09233859913645398
EOS-3-32521,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)cn1,IXUHMRATTZCVCI-UHFFFAOYSA-N,3,1,0.455,55,283,420.383,2.839,5,0.404,0.66,1.0,0.7194246453293126,0.5686125008566925,0.509517853471318,0.445197381947776,0.5606880954012747
EOS-3-32522,COc1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)ccc1-c1cccnn1,YVGWNSSWKGZDPL-UHFFFAOYSA-N,3,1,0.396,13,251,451.368,3.862,5,0.372,0.64,1.0,0.7072339113151943,0.7090329655266946,0.7885597285998218,0.7142159550407786,0.7297606401206224
EOS-3-32523,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)c1,UXXPOIAUIXFTRE-UHFFFAOYSA-N,3,1,0.3,42,899,450.441,3.245,6,0.376,0.61,1.0,0.16772325406072236,0.21730861489959563,0.4209872524158728,0.4326040024672744,0.3096557809608663
EOS-3-32524,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cn2)n1,MHCDQTIPNVTFPV-UHFFFAOYSA-N,3,1,0.338,32,191,448.515,4.742,6,0.384,0.74,1.0,0.059925639092591326,0.1678260571585224,0.2775769309848537,0.272282571448153,0.19440279967103008
EOS-3-32525,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(Cl)c5)cn4)n23)c(F)c1,FDOBHPMMTMMJGB-UHFFFAOYSA-N,3,1,0.398,62,586,474.883,4.798,5,0.393,0.79,1.0,0.572184908505243,0.6555924885203207,0.8053509012404907,0.7854499348913714,0.7046445582893563
EOS-3-32527,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnc2Cl)cn1,GAYBEZYUTHROMQ-UHFFFAOYSA-N,3,1,0.505,65,552,444.886,3.622,5,0.366,0.64,1.0,0.7898019326982386,0.8492049893770133,0.39216811733260226,0.3791035569871839,0.6025696490987595
EOS-3-32529,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncs5)nc4)n23)nc1,KPEOPKBCARZRKN-UHFFFAOYSA-N,3,1,0.435,46,346,422.861,3.332,5,0.424,0.63,1.0,0.6978702624905764,0.6896117469673086,0.2161520800493455,0.2694811870331026,0.4682788191350833
EOS-3-32530,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncnc5)s4)n23)nc1,JRKULTGBIFHALB-UHFFFAOYSA-N,3,1,0.274,94,892,435.476,3.829,6,0.411,0.65,0.992,0.05284935919402371,0.11063326708244808,0.24462853813994928,0.28434480159002123,0.17311399150161058
EOS-3-32531,Cc1cnc(-c2nnc3cncc(OCc4cnn(-c5ccc(Cl)cn5)c4)n23)cn1,YDEKEQUTCCIVQF-UHFFFAOYSA-N,3,1,0.398,7,828,419.836,2.703,5,0.427,0.67,1.0,0.2717514221095196,0.3197947364813926,0.19869268727297648,0.2191762045096292,0.2523537625933795
EOS-3-32532,Fc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)cn5)ccn4)n23)ccn1,OOWQQNCNGIMMGQ-UHFFFAOYSA-N,3,1,0.568,73,82,434.822,3.41,5,0.387,0.59,1.0,0.6288636830923172,0.6601929271468714,0.5401446096909054,0.5577068055650743,0.5967270063737921
EOS-3-32533,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ncccc1F,KLENYHRAOWPSHR-UHFFFAOYSA-N,3,1,0.449,49,501,461.432,3.552,5,0.363,0.67,0.991,0.7580357754780344,0.5732986087314098,0.4539784798848605,0.41360256322390515,0.5497288568295525
EOS-3-32534,CCc1nc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1cnn(C)c1,KTKUHYMIYHUPTB-UHFFFAOYSA-N,3,1,0.389,31,690,427.472,2.561,5,0.39,0.62,0.987,0.25834418477143445,0.13364402714001783,0.04965389623740662,0.03128640943047084,0.11823212939483244
EOS-3-32535,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,RRIJHRVFLVBADU-UHFFFAOYSA-N,3,1,0.302,30,668,429.487,5.014,6,0.394,0.76,1.0,0.01321876499211843,0.056053389075457476,0.6258052909327668,0.619560002741416,0.32865936193543965
EOS-3-32536,Fc1cccc(-c2nnc3cncc(OCc4nccc(-c5ccnc(F)c5)n4)n23)c1,WRTPCCXVPWOHOL-UHFFFAOYSA-N,3,1,0.506,97,335,417.379,3.501,5,0.404,0.7,1.0,0.6288722500171339,0.6944263587142759,0.6613837296963881,0.6715612363785896,0.6640608937015969
EOS-3-32537,COCc1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)c5)cn4)n23)cn1,AQZWAOPAMWYOJJ-UHFFFAOYSA-N,3,1,0.37,82,680,413.416,3.596,5,0.435,0.77,1.0,0.4158042629017888,0.4416078404495922,0.6498783496676033,0.6195685696662326,0.5317147556713042
EOS-3-32538,Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,UWZHAFGJXVGRPD-UHFFFAOYSA-N,3,1,0.438,13,995,433.834,4.537,5,0.411,0.67,1.0,0.6737972037557398,0.727511822356247,0.7846103762593379,0.7831796998149544,0.7422747755465698
EOS-3-32539,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cnn2)c1F,HPMSIBOXHRHVQI-UHFFFAOYSA-N,3,1,0.511,84,429,465.851,4.196,5,0.371,0.71,1.0,0.8974282091700363,0.9058323624151875,0.8464464395860462,0.8782125968062504,0.8819799019943801
EOS-3-32540,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)ccc1F,SFPDCRFBCKIPOV-UHFFFAOYSA-N,3,1,0.506,37,353,447.449,3.795,5,0.394,0.64,1.0,0.7955332054005894,0.7588839010348846,0.5861918305804948,0.5211431704475361,0.6654380268658762
EOS-3-32541,Cc1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(-c2ccccc2)n1,ZIGMKGURSRXHIB-UHFFFAOYSA-N,3,1,0.327,30,298,430.475,4.409,6,0.412,0.66,1.0,0.01004900280995134,0.02642896305942019,0.3286358028921938,0.3977537523130697,0.19071688026865874
EOS-3-32542,Fc1cncc(F)c1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,BITGACVRSILCDN-UHFFFAOYSA-N,3,1,0.512,24,199,417.379,3.501,5,0.432,0.69,1.0,0.8118017956274416,0.6506065382770201,0.7222602974436296,0.7029590158316771,0.7219069117949422
EOS-3-32543,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6(F)CC6)c(F)c5)n34)cn2)n1,AXYWTYFRHQAUJS-UHFFFAOYSA-N,3,1,0.336,74,246,472.459,3.676,6,0.392,0.65,0.997,0.054562744157357276,0.1936896031800425,0.34707182509766293,0.4136111301487218,0.2522338256459461
EOS-3-32544,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cn1,LZRCZTBWENVPHY-UHFFFAOYSA-N,3,1,0.269,86,588,463.44,3.005,6,0.384,0.59,0.762,0.27175998903433624,0.2685730930025358,0.10935679528476458,0.1272102666027003,0.19422503598108423
EOS-3-32545,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6cn(C)nn6)cn5)n34)cc2)n[nH]1,GFFXYKQXNPFZLG-UHFFFAOYSA-N,3,1,0.484,56,425,465.481,2.654,6,0.393,0.64,1.0,0.28246007813035434,0.22793160167226373,0.1440785415667192,0.0942361729833459,0.18717659858817076
EOS-3-32546,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(CO)cc5)n34)ncn2)o1,ZXFAQLFZWUUPQE-UHFFFAOYSA-N,3,1,0.5,89,463,416.401,2.011,5,0.437,0.7,1.0,0.48184668631348093,0.32450654513055993,0.16266876841888836,0.11825783016928243,0.27181995750805293
EOS-3-32547,Cc1ncc(-c2nnc3cncc(Cc4cccc(-c5ccccc5Cl)n4)n23)cn1,MJQNEDQVLYRLJN-UHFFFAOYSA-N,3,1,0.364,14,81,413.872,4.196,5,0.439,0.76,1.0,0.23708107737646494,0.3245151120553766,0.48173531629086425,0.5673017613597423,0.40265831677061203
EOS-3-32548,N#Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)ccc1F,XNABJOAPIMAVRP-UHFFFAOYSA-N,3,1,0.518,97,143,447.817,4.084,5,0.37,0.69,1.0,0.9084452744842711,0.8319769035706943,0.8634946199712151,0.853154341717497,0.8642677849359194
EOS-3-32549,Fc1cccc(-c2cnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)n1,GSIMRZMOGXZJBW-UHFFFAOYSA-N,3,1,0.378,51,48,435.81,2.805,5,0.384,0.57,1.0,0.6005928311973134,0.5981341237749298,0.25203892810636697,0.3211568775272428,0.4429806901514633
EOS-3-32550,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)cn2)n1,VEQZQVQDNDAFBP-UHFFFAOYSA-N,3,1,0.32,32,687,460.476,4.82,6,0.372,0.75,0.995,0.24240970461243233,0.3385220341306285,0.6111901171955315,0.5923942841477623,0.4461290350215886
EOS-3-32551,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5cnc(CO)cn5)ccn4)n23)cn1,MDKXISMXZPSGBZ-UHFFFAOYSA-N,3,1,0.462,7,720,437.423,1.981,5,0.418,0.59,0.985,0.41354259475018845,0.3287900075388938,0.4030652456994037,0.30238674525392367,0.36194614831060246
EOS-3-32552,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)s2)nc1,XFPJSTFJIMBRBU-UHFFFAOYSA-N,3,1,0.247,10,871,441.455,3.697,6,0.411,0.58,0.294,0.014752244534301967,0.03488451785347132,0.1469827290795696,0.2191847714344459,0.1039510657254472
EOS-3-32553,Fc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)c1,DPTNQNFEGNHEHC-UHFFFAOYSA-N,3,1,0.628,59,817,416.391,4.106,5,0.429,0.74,1.0,0.9535072990199438,0.9058409293400042,0.9197878829415393,0.9161555068192722,0.9238229045301899
EOS-3-32554,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cc2F)n[nH]1,PTNQQWXRCXUNMJ-UHFFFAOYSA-N,3,1,0.545,47,164,451.853,3.089,5,0.391,0.64,1.0,0.8829158385306011,0.8388390103488452,0.33248235213487765,0.3466006442327462,0.6002094613117676
EOS-3-32555,Clc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nc1,NGORDOABTSGUFC-UHFFFAOYSA-N,3,1,0.524,2,491,465.304,3.967,5,0.347,0.69,1.0,0.7982146528682065,0.7968096771982729,0.5167997395654855,0.5861232951819615,0.6744868412034817
EOS-3-32556,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)n6)nc5)n34)s2)nn1,URYYSHDDLQYWEW-UHFFFAOYSA-N,3,1,0.296,76,272,468.481,3.671,6,0.357,0.72,1.0,0.14550921801110273,0.2531183606332671,0.15330511959427043,0.185062709889658,0.18424885203207456
EOS-3-32557,c1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cc1,CHPKITYWAPMKFY-UHFFFAOYSA-N,3,1,0.406,69,553,423.461,4.632,6,0.408,0.74,1.0,0.16509320814200534,0.16783462408333905,0.33249091905969436,0.39175690494140225,0.26429391405661024
EOS-3-32558,c1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)nc1,JVWBAFGNUKWCTM-UHFFFAOYSA-N,3,1,0.297,32,299,423.461,4.632,6,0.408,0.76,1.0,0.1157391542731821,0.1410544171064355,0.32143101912137617,0.3852032074566514,0.24085694948941128
EOS-3-32559,COCc1nc(-c2cc(-c3nnc4cncc(OCc5ccn(C)n5)n34)ccn2)no1,FBSHSANGFNTQLW-UHFFFAOYSA-N,3,1,0.429,7,359,419.405,1.695,5,0.384,0.7,1.0,0.21483277362757863,0.1269960934822836,0.02967582756493729,0.015077787677335345,0.09664562058803373
EOS-3-32560,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cn1,GWJVYNVTKXPROD-UHFFFAOYSA-N,3,1,0.352,32,20,446.449,4.511,6,0.368,0.69,0.998,0.29877150298128985,0.3957919265300528,0.6379103556987183,0.6427763689945857,0.4938125385511617
EOS-3-32562,c1cncc(-c2nccnc2-c2nnc3cncc(-c4ccnc(-c5ncns5)c4)n23)c1,CTVSPOQRMQCTMB-UHFFFAOYSA-N,3,1,0.242,86,953,436.464,3.224,6,0.41,0.63,1.0,0.09779144678226304,0.0782160235761771,0.09897368240696319,0.13808169419505176,0.10326571174011379
EOS-3-32563,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)ccnc1Cl,SXGBYFHNDMHIIK-UHFFFAOYSA-N,3,1,0.558,11,201,446.873,4.662,5,0.353,0.76,1.0,0.9506459461311767,0.9650555136728121,0.8155712425467754,0.8223476800767596,0.8884050956068809
EOS-3-32564,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)n1,HECSQHKYTVZNDF-UHFFFAOYSA-N,3,1,0.43,18,531,446.421,3.246,5,0.366,0.62,0.999,0.6949575080529093,0.5839044616544445,0.4281749023370571,0.4199420875882393,0.5317447399081626
EOS-3-32565,Cc1nccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c(F)c2)n1,FEYHBYWCVKVROF-UHFFFAOYSA-N,3,1,0.446,59,772,449.396,3.948,5,0.375,0.67,1.0,0.9038277020080872,0.8834898224933178,0.8606075663079981,0.8144318415461586,0.8655892330888904
EOS-3-32566,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccs5)n4)n23)cn1,GXOZYGYMQBTBIE-UHFFFAOYSA-N,3,1,0.473,7,69,438.423,3.616,5,0.396,0.63,1.0,0.5695205948872593,0.6260280309780001,0.4431841546158591,0.3661589335891988,0.5012229285175793
EOS-3-32567,COc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)ncc4Cl)n23)cn1,CGTVLSVAGLWDIL-UHFFFAOYSA-N,3,1,0.446,97,109,463.86,4.023,5,0.348,0.73,1.0,0.7926632855870057,0.8207713659104928,0.7299705297786306,0.6541275443766705,0.7493831814131999
EOS-3-32568,Cn1cc(-c2ccc(F)c(-c3nnc4cncc(-c5cc(-c6nncn6C)n(C)n5)n34)n2)cn1,SPPZRAIYPPOQEV-UHFFFAOYSA-N,3,1,0.27,99,286,456.449,1.922,6,0.394,0.57,1.0,0.05993420601740799,0.1678431910081557,0.05338050853265712,0.05885477349050785,0.08500316976218215
EOS-3-32569,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cc1,SAGHGVKPYCJGCH-UHFFFAOYSA-N,3,1,0.529,19,207,447.861,4.057,5,0.362,0.67,1.0,0.8248749228976766,0.8522205469124803,0.7299790967034473,0.7901960112398053,0.7993176444383524
EOS-3-32570,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)cc2C)cn1,UOHWIXYNYAUKFB-UHFFFAOYSA-N,3,1,0.588,13,374,428.883,5.311,5,0.386,0.85,1.0,0.7101466657528613,0.7183023781783291,0.7614625454047015,0.7432835309437325,0.733298780069906
EOS-3-32571,N#Cc1ccc(-c2nnc3cncc(Cc4cccc(-c5ccccc5Cl)n4)n23)cc1,CWGZNYYJVTYAJE-UHFFFAOYSA-N,3,1,0.506,62,319,422.879,4.969,5,0.408,0.77,1.0,0.41355116167500516,0.5786957713659104,0.8732609142622164,0.9138167363443218,0.6948311459118635
EOS-3-32573,Clc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,IYBRULVJFPXUGI-UHFFFAOYSA-N,3,1,0.377,69,152,462.904,5.026,6,0.362,0.78,1.0,0.22047837708176274,0.4462939483243095,0.6082516619834144,0.7273490507847303,0.5005932595435543
EOS-3-32574,Cc1noc(-c2ccc(-c3cncc4nnc(-c5cnc(C)nc5-c5ccc(F)cc5)n34)cn2)n1,JOCCJUHUEOIRRB-UHFFFAOYSA-N,3,1,0.346,42,321,465.452,4.116,6,0.378,0.7,1.0,0.3268110479062436,0.41496470426975535,0.26970392707833596,0.2902645466383387,0.32543605647316837
EOS-3-32575,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ccc2F)cn1,UQWVDNBLGMHVFB-UHFFFAOYSA-N,3,1,0.633,4,253,418.457,4.336,5,0.423,0.77,1.0,0.8275306695908436,0.8726783633746831,0.6664467822630389,0.610530463984648,0.7442965698033035
EOS-3-32576,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-n5ccc(=O)cn5)cc4Cl)n23)cc1,YVQNHJOLNZPFEK-UHFFFAOYSA-N,3,1,0.355,62,341,483.919,3.55,6,0.409,0.83,1.0,0.2850815571242547,0.3335360838873278,0.3996127749982866,0.497652662600233,0.3789707696525255
EOS-3-32577,Cc1nc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)n2)n(C)n1,NDWBQEZEWSVRDF-UHFFFAOYSA-N,3,1,0.322,76,387,464.468,3.553,6,0.389,0.63,0.755,0.0978000137070797,0.20751661983414432,0.1533136865190871,0.21384757727366185,0.16811947433349325
EOS-3-32578,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c(F)c2)o1,GHMKXWJJZPYQHU-UHFFFAOYSA-N,3,1,0.472,16,772,455.812,4.055,5,0.365,0.7,1.0,0.8417603317113289,0.7968182441230895,0.7428637516277157,0.730039065177164,0.7778703481598246
EOS-3-32579,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccnn6)ncn5)n34)cn2)ccn1,MPNXDIHICUEHPS-UHFFFAOYSA-N,3,1,0.283,76,566,448.425,3.301,6,0.374,0.6,0.983,0.24792680419436638,0.2993626207936399,0.44319272154067574,0.4546809677198273,0.3612907785621273
EOS-3-32581,c1cnnc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)n2)c1,BSHZSYYCASSKRG-UHFFFAOYSA-N,3,1,0.419,6,826,450.422,2.667,6,0.369,0.6,0.989,0.3436793228702625,0.21245973545336166,0.09632650263861284,0.10887704749503119,0.19033565211431702
EOS-3-32582,Clc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)c1,UZQHDGIFYKBUJU-UHFFFAOYSA-N,3,1,0.402,87,207,465.304,3.967,5,0.347,0.7,1.0,0.5666421081488588,0.5935850866972792,0.5058169419505174,0.6339781372078679,0.5750055685011308
EOS-3-32583,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c1,GIPDOHUCVUNDHB-UHFFFAOYSA-N,3,1,0.422,46,540,418.367,2.896,5,0.402,0.68,1.0,0.7815005825508875,0.6360084983894181,0.6141114385580152,0.5766996778836269,0.6520800493454868
EOS-3-32584,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccs6)n5)n34)cc2)cc1,OKOBGYWSCOWFNZ-UHFFFAOYSA-N,3,1,0.357,93,689,422.477,4.163,6,0.424,0.72,1.0,0.06713042286340895,0.12337228428483311,0.1884466451922418,0.32116544445205947,0.17502869919813585
EOS-3-32585,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5C)n34)nc2)o1,IWTXIJWTSJOGNZ-UHFFFAOYSA-N,3,1,0.446,31,237,432.419,3.009,5,0.373,0.66,0.999,0.634517853471318,0.4998629292029333,0.16267733534370502,0.1251884723459667,0.35556164759098075
EOS-3-32586,Fc1cc(COc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)cnc1Cl,POVLYZORRSGQQW-UHFFFAOYSA-N,3,1,0.506,16,202,433.834,4.015,5,0.386,0.64,1.0,0.7955417723254061,0.7229799191282297,0.8432681104790625,0.8405266945377288,0.8005791241176068
EOS-3-32587,CCc1ncc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)cn4)n23)cc1Cl,GNHBIFNKCBXZBD-UHFFFAOYSA-N,3,1,0.483,51,969,444.886,3.833,5,0.389,0.66,1.0,0.6231666780892331,0.6845486944006579,0.2483465835103831,0.26948975395791924,0.4563879274895483
EOS-3-32588,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)c(-c5csc(C)n5)cn4)n23)cn1,OUYZNAMHHLYVHU-UHFFFAOYSA-N,3,1,0.518,4,205,449.927,4.554,5,0.388,0.77,1.0,0.49181001987526557,0.6556010554451374,0.42479096703447333,0.38521177438146803,0.4893534541840861
EOS-3-32589,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5snnc5C)ccc4Cl)n23)cn1,PLHLJLSLRIONPX-UHFFFAOYSA-N,3,1,0.488,4,205,449.927,4.554,5,0.388,0.77,1.0,0.41136659584675483,0.6026231923788636,0.4539870468096772,0.45788499760126106,0.4814654581591392
EOS-3-32590,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)nn1,WOCPPJXJLBGNBO-UHFFFAOYSA-N,3,1,0.523,75,241,444.886,3.622,5,0.366,0.67,1.0,0.7317353162908642,0.7321893633061476,0.3885700089096018,0.382221917620451,0.5586791515317662
EOS-3-32591,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)cn4)n23)ncc1Cl,OFRHZLJKORBNAA-UHFFFAOYSA-N,3,1,0.471,46,469,439.863,4.076,5,0.407,0.66,1.0,0.5608680008224248,0.6360170653142349,0.6316736344321843,0.6541361113014872,0.6206737029675828
EOS-3-32592,Clc1ccccc1Oc1cncc2nnc(-c3ccc(Cl)c(-c4ncon4)c3)n12,BKRDNQQZTMBGLW-UHFFFAOYSA-N,3,1,0.488,13,145,425.235,4.94,5,0.403,0.79,1.0,0.6462459735453362,0.8054365704886574,0.7972551572887396,0.8740576382701666,0.7807488348982249
EOS-3-32593,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2C)n1,SLUZOZNFQWQZPD-UHFFFAOYSA-N,3,1,0.358,51,924,434.851,2.313,5,0.41,0.59,0.997,0.34622369954081283,0.26339010348845177,0.05338907545747378,0.06041395380714139,0.18085420807346994
EOS-3-32594,Cn1ccnc2ncnc-2cc1COc1cncc2nnc(-c3ccc(C(N)=O)cn3)n12,BLQIEFNLCXLRTQ-UHFFFAOYSA-N,3,1,0.388,63,792,428.416,0.846,5,0.633,0.61,0.0,0.34368788979507914,0.16785175793297238,0.008481255568501132,0.0001970392707833596,0.130054485641834
EOS-3-32595,Cn1nnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)n1,XDMMTNURAUQSRX-UHFFFAOYSA-N,3,1,0.511,36,404,438.814,2.143,5,0.406,0.59,1.0,0.5118480570214515,0.7368497704064149,0.20934137482009457,0.3089490096634912,0.44174705297786304
EOS-3-32596,Cc1ccccc1-c1cccc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)c1,BWZCMARIEBRQOO-UHFFFAOYSA-N,3,1,0.556,11,848,442.91,4.832,5,0.374,0.74,1.0,0.7871033513809883,0.8207799328353095,0.6258138578575835,0.6541446782263038,0.7219604550750462
EOS-3-32597,Cc1nc(-c2ccc(C(F)F)cn2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,AIRAOGPGJQJVRN-UHFFFAOYSA-N,3,1,0.455,18,531,460.448,3.906,5,0.36,0.66,1.0,0.6676204509629223,0.47702350764169693,0.5956582825029128,0.5077273661846343,0.5620074018230415
EOS-3-32598,Cc1ccc(-c2nsc(-c3cncc4nnc(-c5cc(F)cc(C#N)c5)n34)n2)cc1F,GIBBLESUAYSWHZ-UHFFFAOYSA-N,3,1,0.387,96,837,431.431,4.435,5,0.419,0.68,1.0,0.2878743746144884,0.414973271194572,0.7907357275032554,0.8384963333561785,0.5830199266671235
EOS-3-32599,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2F)nn1C,WNHWZENYTHAVIS-UHFFFAOYSA-N,3,1,0.539,37,589,464.892,3.704,5,0.378,0.66,1.0,0.710155232677678,0.7588924679597012,0.3138664245082585,0.3661675005140155,0.5372704064149133
EOS-3-32600,CCn1c(-c2cc(C)n(C)n2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,FMKGZIVTVLSQSY-UHFFFAOYSA-N,3,1,0.298,8,474,462.521,3.841,6,0.383,0.64,1.0,0.049722431635939965,0.04504489068603934,0.03863683092317182,0.05443424028510726,0.046959598382564596
EOS-3-32601,Clc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)n2)cn1,OJWGMCNELDYGPJ-UHFFFAOYSA-N,3,1,0.305,38,167,442.83,3.342,6,0.407,0.61,1.0,0.245022616681516,0.33853060105544514,0.27758549790967035,0.36932012884654924,0.3076147111232952
EOS-3-32602,Fc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cn2)cn1,HKKWQZGHEXADDR-UHFFFAOYSA-N,3,1,0.477,2,434,452.812,3.549,5,0.373,0.67,1.0,0.7982232197930231,0.8643427455280652,0.7664142279487355,0.7562281543417175,0.7963020869028854
EOS-3-32603,Cc1nc(CCOc2cncc3nnc(-c4cnnc(-c5ccccc5F)c4)n23)ccc1F,XFPHZSSAIMHTQV-UHFFFAOYSA-N,3,1,0.495,19,639,445.433,3.851,5,0.392,0.63,1.0,0.7757179082996367,0.7321979302309642,0.620202522102666,0.6251542046467,0.6883181413199917
EOS-3-32605,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccncc6)nn5)n34)cc2)c(F)n1,OPDJDYMRRODJMA-UHFFFAOYSA-N,3,1,0.317,3,620,453.416,3.774,6,0.375,0.61,1.0,0.03252861352888767,0.18491707216777464,0.7016054417106435,0.719493180727846,0.40963607703378796
EOS-3-32606,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)nc1Cl,RUSMTSGZZBRJDV-UHFFFAOYSA-N,3,1,0.4,2,419,435.81,2.805,5,0.384,0.62,1.0,0.6121496127749982,0.6260365979028168,0.4467051607155096,0.48236926872729763,0.5418151600301555
EOS-3-32607,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4csc(-c5cccnc5)n4)n23)c1,AMCKILKPSMZDMU-UHFFFAOYSA-N,3,1,0.337,64,449,452.478,4.573,6,0.387,0.71,0.999,0.15146323075868687,0.2633986704132685,0.33961003358234526,0.45468953464464396,0.30229036734973613
EOS-3-32608,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccoc5)cn4)n23)cc1,ZJXKXZHKEDXBND-UHFFFAOYSA-N,3,1,0.452,56,518,450.462,3.821,6,0.377,0.63,1.0,0.6148824617915153,0.3198033034062093,0.3584658351038311,0.2902731135631554,0.39585617846617777
EOS-3-32609,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnc(Cl)nc5)cc4F)n23)n(C)n1,WHIGATPJFBAOOI-UHFFFAOYSA-N,3,1,0.449,4,677,450.865,3.662,5,0.377,0.7,0.995,0.4794736481392639,0.6076605441710644,0.540153176615722,0.5045319032280172,0.532954818038517
EOS-3-32610,COc1ccc(Cl)nc1-c1cnnc(COc2cncc3nnc(-c4ccccc4)n23)c1,DRZMDPLDWOCVAZ-UHFFFAOYSA-N,3,1,0.494,1,700,445.87,3.884,5,0.363,0.66,1.0,0.612158179699815,0.6506151052018367,0.4642416558152286,0.4386693852374752,0.5414210814885889
EOS-3-32611,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnnc5)ncn4)n23)cc1,VWEDDGYJROEICC-UHFFFAOYSA-N,3,1,0.329,74,333,409.413,2.065,5,0.478,0.79,1.0,0.1569117949420876,0.024098759509286548,0.2552943595367007,0.16594133369885547,0.1505615619217326
EOS-3-32612,COCc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc(-c2ccccn2)n1,ZGAYEMUICGQYGS-UHFFFAOYSA-N,3,1,0.523,24,56,439.479,3.411,5,0.363,0.65,0.998,0.4744791309711466,0.16786032485778904,0.3214395860461929,0.24848365430744979,0.30306567404564455
EOS-3-32613,Cc1cnnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)n1,JQHQOZLPINRQDH-UHFFFAOYSA-N,3,1,0.479,37,442,464.411,3.386,5,0.352,0.68,0.999,0.7286512233568638,0.6944349256390926,0.6111986841203482,0.6137259269412652,0.6620026900143925
EOS-3-32615,FC(F)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cn4)n23)nc1,ABYLWFNJWYATOT-UHFFFAOYSA-N,3,1,0.322,85,60,450.84,4.22,5,0.395,0.61,0.993,0.3414347885682955,0.3722842848331163,0.7823487081077376,0.7948050167911727,0.5727181995750805
EOS-3-32616,CC1CCC(C)N1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,GSSGBNXAZRCJJT-UHFFFAOYSA-N,3,1,0.337,0,175,481.56,3.759,6,0.465,0.67,1.0,0.18444589130285793,0.04505345761085601,0.05535946816530738,0.08145432115687752,0.09157828455897471
EOS-3-32617,FC(F)(F)c1cnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cn1,IUAUKGNXCZMGIN-UHFFFAOYSA-N,3,1,0.373,82,121,424.411,4.996,5,0.408,0.79,1.0,0.29071859365362207,0.4463025152491262,0.9604379411966281,0.9255105887190734,0.6557424097046125
EOS-3-32618,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nncc(C)n5)c4)n23)nc1,CAAYQIHHMPGULJ-UHFFFAOYSA-N,3,1,0.38,33,760,455.442,1.075,5,0.39,0.56,0.621,0.3941642108148859,0.10080700431773011,0.028527859639503803,0.0107514906449181,0.13356264135425946
EOS-3-32619,N#Cc1nc(CCOc2cncc3nnc(-c4cc(-c5nccs5)ccn4)n23)ccc1F,KTSGETBEFBMWRJ-UHFFFAOYSA-N,3,1,0.433,18,181,444.455,3.337,5,0.392,0.63,1.0,0.6709701185662394,0.5361267219518882,0.3470803920224796,0.3306575971489274,0.47120870742238363
EOS-3-32620,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1-c1ccc(F)c(Cl)c1,QYSUHTCICQWXRY-UHFFFAOYSA-N,3,1,0.595,19,570,466.879,4.745,5,0.361,0.8,1.0,0.6261479679254335,0.6506236721266534,0.8719159070659996,0.8989616887122198,0.7619123089575766
EOS-3-32621,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)nc4)n23)c(Cl)c1,DNYKZGQHDKEGSR-UHFFFAOYSA-N,3,1,0.457,55,707,474.872,2.025,5,0.387,0.63,1.0,0.6091511890891645,0.522385374545953,0.172400795010623,0.1380902611198684,0.36050690494140225
EOS-3-32622,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ncn1,RNLSJUKQQLLITK-UHFFFAOYSA-N,3,1,0.385,31,564,451.853,3.057,5,0.401,0.59,0.303,0.42981118497704063,0.372292851757933,0.42479953395929,0.4103385648687547,0.4093105338907546
EOS-3-32623,Cc1cncc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cnc(C)nn5)c4)n23)n1,WLXDFUUSFQHAQV-UHFFFAOYSA-N,3,1,0.216,86,953,449.442,1.693,6,0.386,0.55,0.902,0.0010280309780001371,0.0028442190391337126,0.01689397573846892,0.014529504489068604,0.008823932561167844
EOS-3-32624,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)nn1,SVEFZTSGHUNWTQ-UHFFFAOYSA-N,3,1,0.433,89,398,485.483,2.592,6,0.373,0.87,1.0,0.3039373586457405,0.18492563909259133,0.1440871084915359,0.1501267904872867,0.1957692241792886
EOS-3-32625,COc1cc(COc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)c(C)cn1,RHWJTVRSYAZMGO-UHFFFAOYSA-N,3,1,0.413,92,36,428.456,2.878,5,0.407,0.63,1.0,0.33183983277362755,0.13733637173600163,0.38857857583441846,0.1958913028579261,0.26341152080049346
EOS-3-32626,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5nc(Cl)cs5)n34)ncn2)cn1,IBTNDKSYIYWFIW-UHFFFAOYSA-N,3,1,0.412,31,296,451.903,3.078,5,0.383,0.66,0.959,0.4842539921869646,0.49038791035569873,0.05536803509012405,0.0721763415804263,0.2755465698033034
EOS-3-32627,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)cn4)n23)nc1,OATGKGFNZYNVFF-UHFFFAOYSA-N,3,1,0.365,63,505,406.837,2.113,5,0.54,0.81,0.995,0.11301487218148173,0.16397950791583854,0.03588684805702145,0.08842779795764512,0.1003272565279967
EOS-3-32628,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccnnc4-c4ccc(F)cc4)n23)nc1,OAAHAVOKBNBJOK-UHFFFAOYSA-N,3,1,0.321,98,572,450.441,3.245,6,0.402,0.57,1.0,0.14004351997806866,0.2685816599273525,0.3811767527928175,0.44202761976560895,0.3079573881159619
EOS-3-32629,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,YLCRCIILNZZXJE-UHFFFAOYSA-N,3,1,0.346,30,668,433.45,4.845,6,0.398,0.72,0.986,0.009406483448701253,0.20283051195942706,0.7638612843533685,0.8056678774587074,0.44544153930505104
EOS-3-32630,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cccc(-c4ccccn4)c3)n12,INOAYRMMAAFYJP-UHFFFAOYSA-N,3,1,0.528,11,201,446.873,4.662,5,0.377,0.7,1.0,0.9052412446028374,0.8942584469878693,0.815579809471592,0.8363631690768282,0.8628606675347817
EOS-3-32631,Cn1c(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)cnc1Cl,NXPPYYZXRJSOKW-UHFFFAOYSA-N,3,1,0.605,35,393,449.877,4.001,5,0.389,0.63,1.0,0.8222534439037763,0.8169076828181756,0.7247704064149133,0.7167174970872455,0.7701622575560277
EOS-3-32633,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)cn1,NRQMFOVQAWXHLM-UHFFFAOYSA-N,3,1,0.346,38,620,451.881,4.149,6,0.371,0.66,1.0,0.03643513124528819,0.21731718182441231,0.5233277362757864,0.6165016105818656,0.3483954149818381
EOS-3-32634,N=c1cnc(-c2cnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)c[nH]1,OQMSVXQENPKQIX-UHFFFAOYSA-N,3,1,0.424,18,304,446.862,2.121,5,0.403,0.73,0.634,0.5637636214104585,0.5133044342402852,0.16914536358028923,0.19059694332122543,0.3592025906380646
EOS-3-32635,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5nncc(Cl)n5)nc4)n23)ccc1Cl,UGRVZXMFDPMPHR-UHFFFAOYSA-N,3,1,0.524,16,863,466.292,3.628,5,0.383,0.63,1.0,0.8297409361935439,0.8726869302994997,0.332499485984511,0.4358423000479748,0.6176924131313825
EOS-3-32636,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4Cl)n23)cc1F,MYAWLYZVWACRGP-UHFFFAOYSA-N,3,1,0.558,37,265,467.867,4.14,5,0.373,0.67,1.0,0.9277722568706737,0.8987732163662532,0.8118274964018916,0.8185525323829758,0.8642313755054486
EOS-3-32637,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnn5)cn4)n23)c(Cl)c1,KUQGGQQINUNDID-UHFFFAOYSA-N,3,1,0.391,72,412,415.844,4.397,5,0.429,0.79,1.0,0.6616750051401549,0.754771777122884,0.64988691659242,0.6485247755465698,0.6787146186005072
EOS-3-32638,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)n1,BSTIFMGQKIIFAH-UHFFFAOYSA-N,3,1,0.556,37,626,462.876,3.761,5,0.351,0.69,1.0,0.9706240148036461,0.9544325269001439,0.55026214789939,0.5412583099170721,0.754144249880063
EOS-3-32639,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3nncnc3-c3ccc(Cl)cc3)n12,KRDMFGUTTUJKEE-UHFFFAOYSA-N,3,1,0.483,34,146,468.279,4.668,5,0.37,0.77,1.0,0.7436604756356658,0.7845761085600713,0.8190065793982592,0.9060722363100542,0.8133288499760126
EOS-3-32640,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncn(-c5cnco5)n4)n23)cc1,XMWYUHHABJZYMB-UHFFFAOYSA-N,3,1,0.417,89,926,442.399,1.192,5,0.362,0.62,1.0,0.2610941676375848,0.14473819477760264,0.09187170173394558,0.047803440477006374,0.13637687615653485
EOS-3-32641,OCc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5cccnc5F)c4)n23)ccn1,MIONHFGKXBJLSO-UHFFFAOYSA-N,3,1,0.511,97,439,446.417,3.598,5,0.398,0.66,1.0,0.7345109999314646,0.6260451648276335,0.8760023302035501,0.8324395175107944,0.7672495031183606
EOS-3-32642,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)c2)nn1,HBBOTZFZTXBEAZ-UHFFFAOYSA-N,3,1,0.3,70,392,466.896,3.759,6,0.361,0.69,0.997,0.07496059214584333,0.2028390788842437,0.42099581934068947,0.4609091220615448,0.28992615310808034
EOS-3-32643,Cc1nnc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccn4)n23)s1,FYZSHRJVNKJMCT-UHFFFAOYSA-N,3,1,0.455,53,587,420.433,3.126,5,0.4,0.69,1.0,0.3064303337673909,0.2838821876499212,0.17240936193543965,0.1987183880474265,0.24036006785004455
EOS-3-32644,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1F,IQXCHJFFNQATPU-UHFFFAOYSA-N,3,1,0.625,35,393,415.432,3.347,5,0.423,0.71,1.0,0.8753169762182167,0.7887139332465218,0.5600798437392913,0.504540470152834,0.682162805839216
EOS-3-32645,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)c(F)c1,DFRUVEAPSYIDMT-UHFFFAOYSA-N,3,1,0.575,26,796,415.432,3.347,5,0.423,0.71,1.0,0.7673737235282023,0.665024672743472,0.5333767390857378,0.4855047632101981,0.6128199746419025
EOS-3-32646,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nncs5)cc(F)c4Cl)n23)nc1,CSFWYEYAFFBBQI-UHFFFAOYSA-N,3,1,0.413,46,348,453.89,4.385,5,0.39,0.7,1.0,0.6647762319237887,0.679776917277774,0.6554040161743541,0.6656414913302721,0.6663996641765472
EOS-3-32647,COc1ncccc1-c1cc(C#N)cc(-c2nnc3cncc(OCCc4cncnn4)n23)c1,QABBZVYBWKDVSJ-UHFFFAOYSA-N,3,1,0.457,15,771,451.45,2.54,5,0.363,0.61,1.0,0.5505791241176068,0.49530532520046605,0.3358834212870948,0.26667980261805224,0.41211191830580496
EOS-3-32648,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)nc(C)n2)nc1,WVWXTZJTFVKHFK-UHFFFAOYSA-N,3,1,0.429,18,330,445.508,3.643,5,0.374,0.65,0.998,0.41581282982660545,0.1484990747721198,0.17557912411760673,0.10888561441984786,0.212194160784045
EOS-3-32649,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nn5)ns4)n23)c(F)c1,FKAURTPYZGPJME-UHFFFAOYSA-N,3,1,0.506,34,29,458.841,3.61,5,0.393,0.7,1.0,0.5721934754300596,0.8011959427044069,0.32497772599547664,0.4976612295250497,0.5490070934137482
EOS-3-32650,COc1cc(Oc2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2)ncn1,OCMBWHPPOBPERA-UHFFFAOYSA-N,3,1,0.522,16,214,461.869,4.01,5,0.355,0.71,1.0,0.8886214104585018,0.7368583373312316,0.6258224247824001,0.4945600027414159,0.6864655438283874
EOS-3-32651,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cn2)s1,BXEFWRPIDCUPOT-UHFFFAOYSA-N,3,1,0.462,55,283,454.878,3.78,5,0.369,0.69,0.999,0.6859965046946748,0.69950654513056,0.3470889589472963,0.38223048454526765,0.5287056233294497
EOS-3-32652,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4n[nH]c(-c5cccs5)n4)n23)cn1,RBSZEZDTPNITQG-UHFFFAOYSA-N,3,1,0.26,86,812,438.48,3.465,6,0.444,0.61,0.658,0.06337810979370845,0.16786889178260572,0.057055719279007606,0.07218490850524296,0.09012190734014118
EOS-3-32653,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)c(F)c2)n1C,BOZGCYOWCMRDOO-UHFFFAOYSA-N,3,1,0.317,30,515,462.492,4.763,6,0.375,0.74,1.0,0.2370896443012816,0.28389075457473784,0.5893101912137619,0.592402851072579,0.4256733602905901
EOS-3-32654,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)n1,KRXLWRRPJUFLNA-UHFFFAOYSA-N,3,1,0.5,37,494,432.394,2.938,5,0.377,0.61,1.0,0.8811596189431842,0.9033907888424371,0.5333853060105544,0.5509646357343568,0.717225087382633
EOS-3-32655,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)ccn1,XAGKRKLEYNAKCX-UHFFFAOYSA-N,3,1,0.44,55,564,435.369,3.64,5,0.389,0.63,1.0,0.8275392365156603,0.8457782194503461,0.8882016311424851,0.8679065862517991,0.8573564183400727
EOS-3-32656,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cc5)n34)cc2)nc1,VKXZUTLNTRLCDW-UHFFFAOYSA-N,3,1,0.319,69,898,416.448,4.305,6,0.46,0.74,1.0,0.09537557398396272,0.10401960112398054,0.637918922623535,0.6541532451511205,0.3728668357206497
EOS-3-32657,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cncc(-c4ncccc4F)c3)n12,JJCNRPGMTCPQCH-UHFFFAOYSA-N,3,1,0.478,2,422,451.824,4.154,5,0.396,0.65,1.0,0.7040298814337606,0.7589010348845179,0.7996024946885066,0.8344870125419779,0.7742551058871907
EOS-3-32658,Fc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)nc1,ZTHUZHDKCMDOMH-UHFFFAOYSA-N,3,1,0.57,34,293,452.371,4.384,5,0.368,0.7,1.0,0.9601723665273113,0.9600952642039613,0.9480416009869097,0.9495408128298266,0.9544625111370022
EOS-3-32659,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)n1,VEKKUNPERQPMDQ-UHFFFAOYSA-N,3,1,0.5,24,819,443.898,4.227,5,0.363,0.72,1.0,0.7374237543691317,0.7461106161332328,0.42480810088410664,0.419950654513056,0.5820732814748818
EOS-3-32660,Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc(-c2ccc(CO)nc2)n1,DEXWKYUDOOKRQS-UHFFFAOYSA-N,3,1,0.49,35,661,457.469,3.205,5,0.397,0.63,1.0,0.680008224247824,0.5787043382907272,0.583039202247961,0.4792080734699472,0.5802399595641149
EOS-3-32661,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnn6)c5)n34)cc2)cn1C,NANQYUPUCBETHV-UHFFFAOYSA-N,3,1,0.291,98,63,446.478,3.414,6,0.405,0.57,0.999,0.12378349667603317,0.09142622164347886,0.2697124940031526,0.23989102871633197,0.18120331025974915
EOS-3-32662,COc1cc(-c2nnc3cncc(OCCc4ccnc(C)n4)n23)ccc1-c1cn[nH]c1,PFHFXOOZVYPZPP-UHFFFAOYSA-N,3,1,0.479,15,771,428.456,2.91,5,0.421,0.62,1.0,0.5722020423548763,0.39116578712905214,0.284815982454938,0.16594990062367213,0.35353342814063465
EOS-3-32663,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccnc(F)c6)n5)n34)nc2)nn1,POCWDGRZUFQUQU-UHFFFAOYSA-N,3,1,0.267,86,852,452.417,2.035,6,0.365,0.61,0.537,0.04665547255157289,0.13734493866081832,0.10936536220958125,0.12290110341991639,0.10406671921047221
EOS-3-32664,Cc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccn[nH]1,CXNYPJDTHAXRHL-UHFFFAOYSA-N,3,1,0.438,18,578,432.875,3.555,5,0.409,0.65,1.0,0.7161606469741622,0.6944434925639092,0.41338839010348843,0.4103471317935714,0.5585849153587829
EOS-3-32665,COc1ncc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1F,VMGGIZPTBRIJJY-UHFFFAOYSA-N,3,1,0.342,93,651,465.448,4.718,6,0.36,0.82,1.0,0.5401103419916387,0.5787129052155439,0.4987749297512165,0.5009509286546501,0.5296372764032623
EOS-3-32666,Cn1nc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cc1-c1cccc(F)n1,CMPVBKWXINDJJA-UHFFFAOYSA-N,3,1,0.473,95,694,420.383,2.839,5,0.404,0.68,0.997,0.35284593242409706,0.3385391679802618,0.41339695702830515,0.43261256939209103,0.3843486567061888
EOS-3-32667,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ncc(F)c(CO)n1,NVGWXRPSWMEZOZ-UHFFFAOYSA-N,3,1,0.427,31,569,447.434,1.63,5,0.396,0.63,1.0,0.3851432389829347,0.18078781440614078,0.07981803851689398,0.07971523541909396,0.18136608183126585
EOS-3-32668,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cn2)cc1,QPSWNMXSXMAIOA-UHFFFAOYSA-N,3,1,0.307,30,298,416.448,4.101,6,0.43,0.72,0.974,0.02428723185525324,0.059968473716674665,0.33250805290932767,0.4231375505448564,0.209975327256528
EOS-3-32669,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)cn1,BHQSAAMIIIKUJO-UHFFFAOYSA-N,3,1,0.435,55,354,435.81,2.805,5,0.384,0.58,1.0,0.6432732506339525,0.8354293742718114,0.4281834692618738,0.45157117401137686,0.5896143170447536
EOS-3-32670,CN(Cc1cccc(Cl)n1)C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C#N)nc4)n23)o1,DLJNNWWQINFSLZ-UHFFFAOYSA-N,3,1,0.352,82,336,470.88,3.639,5,0.356,0.71,1.0,0.3039459255705572,0.37230141868274963,0.28482454937975465,0.27540949900623674,0.30912034815982453
EOS-3-32671,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1-c1ncon1,KZFOUKUZVWLXPP-UHFFFAOYSA-N,3,1,0.535,27,343,453.384,3.935,5,0.365,0.71,1.0,0.8904118977451854,0.8388475772736619,0.7066599273524775,0.6834178603248577,0.7798343156740457
EOS-3-32672,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)nn1,GIDKUDLLIOKKRE-UHFFFAOYSA-N,3,1,0.385,53,511,449.837,3.113,5,0.398,0.57,1.0,0.6345264203961346,0.5502021794256734,0.4780772393941471,0.49766979644986636,0.5401189089164553
EOS-3-32673,Clc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4cncnc4)nc3)n12,KTLAKZMLRNLNIW-UHFFFAOYSA-N,3,1,0.316,94,171,463.892,4.421,6,0.378,0.69,0.784,0.2583527516962511,0.3911743540538688,0.72477897333973,0.7588153656363512,0.5332803611815503
EOS-3-32674,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cc2)nn1,KEGHINMIVPJZTN-UHFFFAOYSA-N,3,1,0.547,15,320,445.874,3.017,5,0.363,0.62,1.0,0.890420464670002,0.8966229182372696,0.15626070865602085,0.16090398190665478,0.5260520183674868
EOS-3-32675,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(Cl)c4)n23)n(C)n1,MFBKJNKIZHQXLA-UHFFFAOYSA-N,3,1,0.488,73,82,450.865,3.662,5,0.403,0.62,1.0,0.5350901240490713,0.6124066205194983,0.4320385854293743,0.4326211363169077,0.5030391165787129
EOS-3-32676,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)c(-c2nccn2C)c1,OMTOSQREUFEIKK-UHFFFAOYSA-N,3,1,0.283,42,7,467.924,4.606,6,0.406,0.7,1.0,0.19559146048934276,0.28913371256253856,0.5502707148242068,0.5736755534233432,0.40216786032485785
EOS-3-32677,Clc1cnc(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)nc1,QJQALWVVLFFTTE-UHFFFAOYSA-N,3,1,0.494,97,666,415.844,3.876,5,0.43,0.7,1.0,0.6037197587553972,0.6454920841614694,0.457345281337811,0.507735933109451,0.5535732643410322
EOS-3-32678,COc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C#N)nc5)n34)cnn2)s1,KQLFVFUVOYPYBS-UHFFFAOYSA-N,3,1,0.478,53,226,444.44,1.954,5,0.378,0.64,0.885,0.5193355493112193,0.4813155369748475,0.07343567952847646,0.05444280720992393,0.2821323932561168
EOS-3-32679,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c(F)c2)nn1,WEYDNTJMWUYACT-UHFFFAOYSA-N,3,1,0.361,33,344,483.467,3.17,6,0.386,0.78,1.0,0.46693167020766224,0.410304297169488,0.1179751216503324,0.13809882804468507,0.2833274792680419
EOS-3-32680,Cn1ncc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)n4)n23)c1-c1ccc(F)cc1,ZIFPAOIPRCFSCK-UHFFFAOYSA-N,3,1,0.354,3,783,455.432,3.718,6,0.402,0.6,1.0,0.031243574806387498,0.18493420601740798,0.5301470084298541,0.6339867041326845,0.3450778733465835
EOS-3-32681,FC(F)(F)c1cc(-c2nnc3cncc(Oc4cnc(-c5cnccn5)nn4)n23)ccc1Cl,QASZGFHYRKNDCM-UHFFFAOYSA-N,3,1,0.489,73,540,471.79,3.898,5,0.384,0.69,1.0,0.9116064697416215,0.9270697690357069,0.8988503186896032,0.8497104379411966,0.8968092488520321
EOS-3-32682,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncccc1F,YNJKSPYSYSZDLY-UHFFFAOYSA-N,3,1,0.511,37,132,465.851,4.196,5,0.371,0.68,1.0,0.9369388664245083,0.9470135700089096,0.7169231032828456,0.7787248989102872,0.8449001096566376
EOS-3-32683,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,HQCSWTIGPPEDCV-UHFFFAOYSA-N,3,1,0.597,35,300,413.416,3.404,5,0.421,0.76,1.0,0.9601809334521281,0.9234031252141731,0.5736498526488931,0.5278339387293537,0.746266962511137
EOS-3-32685,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)c(F)c2)n1,JNKKEGZWPKEKDI-UHFFFAOYSA-N,3,1,0.506,16,256,420.433,3.126,5,0.427,0.68,1.0,0.667629017887739,0.7043811253512439,0.2483551504351998,0.24849222123226647,0.46721437872661226
EOS-3-32686,Cc1cccc(COc2cncc3nnc(-c4cnnc(-c5cccc(Cl)n5)c4)n23)n1,KFVDBODXAWPGGO-UHFFFAOYSA-N,3,1,0.457,4,268,430.859,3.579,5,0.39,0.64,0.995,0.4718747858268796,0.5177506682201357,0.3548762936056473,0.36617606743883213,0.4276694537728737
EOS-3-32687,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccccc5-c5nnc(C)o5)n34)cn2)nn1,LDUZXRHKAFBOOX-UHFFFAOYSA-N,3,1,0.325,30,424,447.462,3.977,6,0.395,0.61,1.0,0.11574772119799877,0.13020012336371736,0.18196148310602425,0.1739428414776232,0.1504630422863409
EOS-3-32688,Cn1ccnc1-c1ccccc1-c1nnc2cncc(OCCc3cccnc3Cl)n12,FURFXGZRQQOEQX-UHFFFAOYSA-N,3,1,0.538,15,438,431.887,3.862,5,0.379,0.65,1.0,0.7842505654170379,0.670053457610856,0.41725207319580565,0.4546981015694606,0.58156354944829
EOS-3-32689,Cn1cc(-c2nnc3cncc(OCc4cc(-c5cc(C(F)F)nn5C)nn4C)n23)cn1,LCAMUIDWDZDONV-UHFFFAOYSA-N,3,1,0.424,92,105,440.418,2.175,5,0.398,0.57,1.0,0.23974539099444864,0.1982386402576931,0.24463710506476596,0.14038619697073537,0.20575183332191077
EOS-3-32690,Cc1cnc(CCOc2cncc3nnc(-c4cnnc(-c5cnc(C)cn5)c4)n23)cn1,CYSIYELCZIJJFV-UHFFFAOYSA-N,3,1,0.44,65,658,426.444,2.067,5,0.398,0.58,1.0,0.4459769721060928,0.29937118771845656,0.05339764238229045,0.03448187238708793,0.20830691864848191
EOS-3-32691,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1-c1ccccn1,XLWLFSHPYBCIPP-UHFFFAOYSA-N,3,1,0.573,91,955,459.456,4.762,5,0.349,0.78,1.0,0.9715406757590296,0.9100301555753547,0.8917483380165856,0.8344955794667946,0.9019536872044411
EOS-3-32692,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5nc(C(F)(F)F)cs5)n34)ccn2)nn1,SWABPKYBUPHKHA-UHFFFAOYSA-N,3,1,0.5,27,52,470.44,4.006,5,0.38,0.76,1.0,0.4993403467891166,0.6076691110958811,0.67490233705709,0.48237783565211434,0.5660724076485505
EOS-3-32693,Cn1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(CO)nc5)n34)c(F)c2)c1=O,WRYOOITUSJFBTG-UHFFFAOYSA-N,3,1,0.457,4,205,459.441,2.157,5,0.41,0.62,1.0,0.5142981975190186,0.4330580494825577,0.47808580631896375,0.40084641217188677,0.4565721163731067
EOS-3-32694,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cc1,DXNWVJALWIKUGN-UHFFFAOYSA-N,3,1,0.346,3,923,453.412,4.849,6,0.377,0.73,1.0,0.3242152696867932,0.46389897882256187,0.8136865190871085,0.8461294633678295,0.6119825577410732
EOS-3-32695,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)c4)n23)cc1,JHMYIDBBZFIJHV-UHFFFAOYSA-N,3,1,0.439,89,398,480.488,2.351,6,0.373,0.78,1.0,0.42527928174902335,0.1198084435610993,0.2736275786443698,0.19060551024604208,0.25233020355013364
EOS-3-32696,COc1cc(-c2nnc3cncc(OCc4ccc(F)s4)n23)ccc1-c1nccc(C)n1,XXFIFYIVAAYNKO-UHFFFAOYSA-N,3,1,0.505,4,248,448.483,4.345,5,0.382,0.7,1.0,0.8666900829278322,0.7802926461517373,0.5266602700294702,0.37911212391200055,0.6381887807552602
EOS-3-32697,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)n1,AGQYJAJWXLESCS-UHFFFAOYSA-N,3,1,0.543,15,325,421.367,3.136,5,0.385,0.72,1.0,0.9116150366664382,0.7368669042560483,0.5058255088753341,0.4945685696662326,0.6622190048660133
EOS-3-32698,COc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)cn1,RLXNZGZSMFSRBD-UHFFFAOYSA-N,3,1,0.477,4,815,420.364,2.358,5,0.404,0.65,1.0,0.6890720307038586,0.6360256322390515,0.30292646151737374,0.2107463504900281,0.45969261873757794
EOS-3-32699,Clc1ncc(-c2nnc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)[nH]2)cn1,JZZKVAWAUDGKCQ-UHFFFAOYSA-N,3,1,0.267,10,880,454.845,2.539,6,0.393,0.6,0.05,0.14861044479473648,0.19824720718250977,0.07113117675279282,0.1581882667397711,0.14404427386745255
EOS-3-32700,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncn5C)nc(Cl)n4)n23)cc1,CSIQRURXLTWMAW-UHFFFAOYSA-N,3,1,0.45,89,463,475.9,2.574,5,0.371,0.7,0.999,0.5608765677472415,0.45051744225892676,0.2231255568501131,0.13364402714001783,0.3420408984990748
EOS-3-32701,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)ncn1,QGSZBJQRAFFNLK-UHFFFAOYSA-N,3,1,0.394,7,128,419.836,2.609,5,0.427,0.62,1.0,0.46694023713247895,0.5270200808717703,0.2520474950311836,0.2666883695428689,0.37817404564457546
EOS-3-32703,COc1ncc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1cccnn1,SRXCZMDMFWHUMZ-UHFFFAOYSA-N,3,1,0.479,65,657,444.43,2.808,5,0.374,0.61,1.0,0.6829980810088411,0.5981426906997465,0.37370639435268316,0.29322870262490575,0.48701896717154414
EOS-3-32704,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cc5F)n34)ncn2)nc1,HYHILHKXFXTMJD-UHFFFAOYSA-N,3,1,0.412,18,481,462.876,3.761,5,0.375,0.65,0.927,0.6374905763827017,0.5888818449729285,0.4172606401206223,0.44845281337810977,0.5230214687135906
EOS-3-32705,OCc1cncc(COc2cncc3nnc(-c4ccnc(-c5cc(F)ccn5)c4)n23)c1F,ZXSWMRMEQIDPOW-UHFFFAOYSA-N,3,1,0.488,24,199,447.405,2.993,5,0.423,0.6,1.0,0.652285655541087,0.527028647796587,0.7846189431841546,0.735556164759098,0.6748723528202316
EOS-3-32706,COCn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)c(OC)c5)n34)[nH]n2)n1,MBYDGABDYSOVMJ-UHFFFAOYSA-N,3,1,0.312,36,542,438.839,2.101,5,0.422,0.59,0.813,0.38757624563086834,0.4681910081557124,0.07982660544171065,0.10889418134466453,0.261122010143239
EOS-3-32707,Cc1cc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ncc4Cl)n23)ccc1Cl,ONWJXZDSZVKBAJ-UHFFFAOYSA-N,3,1,0.5,36,728,468.308,3.571,5,0.385,0.68,1.0,0.52483551504352,0.6797854842025907,0.39595469810156947,0.5178620382427523,0.5296094338976081
EOS-3-32708,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccncc5)ccn4)n23)cc1F,LNVGPTLLSPBHDY-UHFFFAOYSA-N,3,1,0.613,59,153,416.391,4.106,5,0.429,0.75,1.0,0.755414296484134,0.6455006510862861,0.8988588856144198,0.8894095675416352,0.7972958501816187
EOS-3-32709,Cc1ccc(-c2nnc3cncc(-c4ncccc4OCc4cccc(F)c4)n23)cn1,AQLPXOXFFKOXBU-UHFFFAOYSA-N,3,1,0.396,96,586,412.428,4.275,5,0.429,0.89,1.0,0.5531406346377904,0.6797940511274073,0.7090843670755945,0.6743883215680899,0.6541018436022206
EOS-3-32710,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cn(C)cn6)c5)n34)cn2)n1,BLVKCYKZFNRKGI-UHFFFAOYSA-N,3,1,0.287,86,790,446.478,3.414,6,0.405,0.59,0.992,0.09780858063189637,0.08181413199917757,0.3029350284421904,0.2515334795421835,0.18352280515386196
EOS-3-32711,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5nnccc5F)n34)ncn2)cn1,IDYZLWXIBJXDRK-UHFFFAOYSA-N,3,1,0.356,51,113,432.379,1.039,5,0.41,0.6,0.993,0.49673600164484955,0.4056353231444041,0.11798368857514907,0.10890274826948118,0.282314440408471
EOS-3-32712,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(Cl)n4)n23)n(C)n1,ZVRVNILWNUCCLT-UHFFFAOYSA-N,3,1,0.383,31,662,451.853,3.057,5,0.375,0.65,0.998,0.39186827496401894,0.4330666164073744,0.1918562812692756,0.204792337742444,0.30539587759577824
EOS-3-32713,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(CC#N)n4)n23)ccc1-c1cnnn1C,FQRCWUFJRSAMCW-UHFFFAOYSA-N,3,1,0.459,36,638,471.456,2.775,5,0.352,0.7,1.0,0.43405181276129123,0.4903964772805154,0.44671372764032624,0.32745356726749364,0.4246538962374066
EOS-3-32714,Oc1ccc(F)cc1-c1nnc2cncc(OCc3csc(-c4cnccn4)n3)n12,KODMNJXLDBEXSV-UHFFFAOYSA-N,3,1,0.494,24,540,421.417,3.129,5,0.461,0.71,1.0,0.5274741278870536,0.5839130285792612,0.29576451237063944,0.2962099924611062,0.42584041532451505
EOS-3-32715,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)c1,UBDXHSXIUOTSJJ-UHFFFAOYSA-N,3,1,0.417,65,905,447.89,3.135,5,0.374,0.62,0.912,0.4135597285998218,0.38193064217668427,0.15955040778562127,0.17963984648070727,0.28367015626070863
EOS-3-32716,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cc2)cc1,YPXIIBIROVYOEH-UHFFFAOYSA-N,3,1,0.364,93,987,417.432,4.57,6,0.415,0.83,1.0,0.21225412925776163,0.160047289424988,0.5401617435405387,0.6011839490096635,0.378411777808238
EOS-3-32717,Cc1nc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)cc(-c2ccncn2)n1,PQVXWWPGVLWWOD-UHFFFAOYSA-N,3,1,0.388,53,52,466.387,2.735,5,0.381,0.61,0.47,0.5248440819683367,0.5223939414707697,0.5502792817490234,0.36618463436364884,0.49092548488794463
EOS-3-32718,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cn1,KGMRGCDXRPHOFP-UHFFFAOYSA-N,3,1,0.511,84,699,465.851,4.196,5,0.371,0.69,1.0,0.8921081488588856,0.919745048317456,0.7016140086354602,0.7562367212665342,0.8174259817695839
EOS-3-32719,Cn1cc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ccncc5)n34)c2)cn1,PJZQZICMPNDBCQ-UHFFFAOYSA-N,3,1,0.295,42,174,430.475,4.316,6,0.414,0.64,1.0,0.07119114522650949,0.021751422109519566,0.5669248166678089,0.5607651977246247,0.30515814543211567
EOS-3-32720,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5scnc5C)n34)ccc2Cl)cn1,PKPBWPITDSGCMY-UHFFFAOYSA-N,3,1,0.518,16,253,449.927,4.554,5,0.388,0.72,1.0,0.6432818175587691,0.7676992666712357,0.36228668357206495,0.3661932012884655,0.5348652422726338
EOS-3-32722,Cc1cccc(-c2nnccc2-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)n1,DUFHXIHFGBPKLX-UHFFFAOYSA-N,3,1,0.292,76,887,444.462,3.471,6,0.402,0.56,0.868,0.1787574532245905,0.11064183400726475,0.22313412377492975,0.22822287711603043,0.18518907203070384
EOS-3-32723,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C(F)F)nn4)n23)cc1,KHYODJHYZNYREX-UHFFFAOYSA-N,3,1,0.286,98,890,472.423,2.697,6,0.372,0.64,1.0,0.17573332876430675,0.18494277294222466,0.18525974916044136,0.19338119388664246,0.1848292611884038
EOS-3-32724,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncnc(Cl)n5)n4)n23)cn1,DVRDMGNGBWNVCM-UHFFFAOYSA-N,3,1,0.297,76,387,467.884,3.154,6,0.384,0.63,0.909,0.15692036186690425,0.23264341032143102,0.1626859022685217,0.18247549859502432,0.18368129326297034
EOS-3-32725,N#Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)n1,YEQSJIQTCSEYFY-UHFFFAOYSA-N,3,1,0.416,18,531,473.859,3.324,5,0.364,0.69,1.0,0.8038773901720239,0.784584675484888,0.5434514426701391,0.6042337742443973,0.684036820642862
EOS-3-32726,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccn4)n23)cn1,XKTPOXNRNWBKCP-UHFFFAOYSA-N,3,1,0.506,7,390,414.404,3.065,5,0.432,0.73,1.0,0.6148910287163319,0.660201494071688,0.46086628743746144,0.3693286957713659,0.5263218764992118
EOS-3-32727,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4F)n23)ccn1,NYSZQISOQFHQQC-UHFFFAOYSA-N,3,1,0.506,58,143,445.433,3.851,5,0.367,0.7,1.0,0.9021400178192036,0.8784781714755672,0.6690939620313893,0.607489205674731,0.7643003392502228
EOS-3-32728,CCc1nc(-c2nnc3cncc(OCc4cc(C)nnn4)n23)ccc1-c1[nH]ccc1C,HGNHWKLOQDYXNB-UHFFFAOYSA-N,3,1,0.36,31,662,427.472,3.125,5,0.439,0.62,0.756,0.2505654170379001,0.16005585634980468,0.07782194503461037,0.05047632101980673,0.13472988486053047
EOS-3-32729,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)s4)n23)cc1,GDMBWOKHOGVNQV-UHFFFAOYSA-N,3,1,0.59,36,447,459.417,3.036,5,0.395,0.62,1.0,0.5043948324309506,0.49987149612775,0.4608748543622781,0.315168597080392,0.44507744500034263
EOS-3-32730,CCn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nn2)nn1,VPRPBNZKRQWFTG-UHFFFAOYSA-N,3,1,0.365,53,105,435.839,1.882,5,0.389,0.58,1.0,0.1956000274141594,0.3287985744637105,0.017793502844219038,0.033488109108354466,0.14392005345761083
EOS-3-32731,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6nncn6C)s5)n34)cn2)nn1,WHUWGXJFRJASAM-UHFFFAOYSA-N,3,1,0.302,99,14,454.483,2.266,6,0.39,0.59,0.98,0.04371701733945583,0.06755876910424234,0.008935302583784525,0.008189980124734425,0.032100267288054284
EOS-3-32732,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)nc2C)cn1,RWYUKVPHLWUFRM-UHFFFAOYSA-N,3,1,0.398,13,110,429.871,4.706,5,0.408,0.72,1.0,0.553149201562607,0.5453018984305393,0.4852391885408814,0.48551333013501474,0.5173009046672606
EOS-3-32733,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)ccn1,KYSNTBMLFYPSEH-UHFFFAOYSA-N,3,1,0.424,18,194,448.849,3.452,5,0.364,0.61,0.772,0.6374991433075183,0.6404547323692688,0.5266688369542869,0.5767082448084435,0.5953327393598794
EOS-3-32734,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)n1,QZWVMVUYLYNUOA-UHFFFAOYSA-N,3,1,0.529,1,92,430.418,4.414,5,0.384,0.74,1.0,0.694966074977726,0.8169162497429923,0.8464550065108628,0.8098656706188746,0.7920507504626139
EOS-3-32735,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)c2)ccn1,ZMPYJLOYWFLYJX-UHFFFAOYSA-N,3,1,0.56,35,161,448.408,4.287,5,0.361,0.7,1.0,0.9380097320265918,0.9544410938249606,0.9245339592899733,0.9182115687752724,0.9337990884791996
EOS-3-32736,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)nc2)no1,IALXQVRVUPSIIB-UHFFFAOYSA-N,3,1,0.429,7,128,418.392,2.966,5,0.424,0.72,1.0,0.4818552532382976,0.4770320745665136,0.18197005003084094,0.1356486875471181,0.31912651634569256
EOS-3-32737,CCc1cc(-c2nnc3cncc(-c4cc(F)c(-c5cnc(C)o5)nn4)n23)nc(CF)n1,ICRMWVVYCUKXOE-UHFFFAOYSA-N,3,1,0.258,50,974,435.398,3.173,5,0.41,0.58,0.06,0.282468645055171,0.3676324446576657,0.057064286203824276,0.06849256390925913,0.19391448495648006
EOS-3-32738,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(-c6ccnnc6)nc5)n34)nc2)CCC1,ZQSGTUBYZPZSTB-UHFFFAOYSA-N,3,1,0.33,33,647,477.532,3.302,6,0.395,0.7,0.895,0.10544171064354739,0.03489308477828799,0.0332653690631211,0.06665067507367556,0.06006270988965801
EOS-3-32739,CCOc1cc(F)ccc1-c1nnc2cncc(-c3nncc(-c4cccc(Cl)c4)n3)n12,PWAKPOANIRTUKX-UHFFFAOYSA-N,3,1,0.402,22,46,447.861,4.502,5,0.391,0.66,0.991,0.4319272154067576,0.6217531354944829,0.6440785415667192,0.727357617709547,0.6062791275443766
EOS-3-32740,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(C)N)nc4)n23)nc1,ADHHYVAHFRIZNJ-UHFFFAOYSA-N,3,1,0.35,50,974,413.449,1.633,5,0.466,0.71,1.0,0.16229182372695497,0.07485778904804331,0.07113974367760949,0.027568364060037008,0.0839644301281612
EOS-3-32741,Cc1cccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5cccnc5Cl)n4)n23)c1,JXEOKAYPNFTUAB-UHFFFAOYSA-N,3,1,0.263,94,871,466.896,3.853,6,0.36,0.67,0.424,0.016319991775752177,0.11065040093208142,0.2520560619560003,0.3466092111575629,0.18140891645534918
EOS-3-32742,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)c2)no1,TYJBJRPOWOOVRY-UHFFFAOYSA-N,3,1,0.588,37,626,451.849,3.959,5,0.357,0.73,1.0,0.8464464395860462,0.842428551847029,0.5266774038791036,0.5376859022685216,0.688309574395175
EOS-3-32743,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccco5)cn4)n23)cn1,INELCAXTZFEOPO-UHFFFAOYSA-N,3,1,0.494,7,69,421.367,3.753,5,0.408,0.71,1.0,0.6582825029127545,0.5981512576245631,0.6638081694195052,0.5543228702624906,0.6186412000548283
EOS-3-32744,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)cc1,ONDJHRNGAUSSAQ-UHFFFAOYSA-N,3,1,0.537,36,734,434.41,3.498,5,0.404,0.59,1.0,0.580434857103694,0.5133130011651018,0.6021691453635802,0.4762953190322802,0.5430530806661641
EOS-3-32745,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4c(F)cccc4OC)n23)c1,RCKNTXXYFKPRFN-UHFFFAOYSA-N,3,1,0.464,43,448,444.47,4.401,5,0.37,0.73,1.0,0.5581951202796245,0.4770406414913303,0.7142673565896785,0.583193406894661,0.5831741313138237
EOS-3-32746,COc1ncc(-c2cc(-c3nnc4cncc(OCc5nnccc5F)n34)ccc2F)cn1,WRHQRJUJMMIPMH-UHFFFAOYSA-N,3,1,0.456,4,394,448.393,2.904,5,0.387,0.61,1.0,0.7007658830786101,0.6896203138921253,0.5401703104653554,0.46727434720032895,0.5994577136591049
EOS-3-32747,CCn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cnc(C)cn1,VSYQRAKBCVRKES-UHFFFAOYSA-N,3,1,0.443,31,569,427.472,2.79,5,0.39,0.64,1.0,0.11858337331231582,0.00809574395175108,0.05340620930710712,0.041403947638955524,0.055372318552532385
EOS-3-32748,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cn4)n23)c(Cl)c1,LBTGCSXEHPJRPW-UHFFFAOYSA-N,3,1,0.299,98,314,454.885,3.692,6,0.431,0.58,1.0,0.13485196353916798,0.2482437804125831,0.5095264203961346,0.5446336782948393,0.3593139606606812
EOS-3-32749,c1cnc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)n2)nc1,HIQHPLQDKPGOGH-UHFFFAOYSA-N,3,1,0.258,86,165,420.4,1.681,6,0.414,0.59,1.0,0.010057569734768007,0.03774587074223837,0.042980261805222394,0.0504848879446234,0.035317147556713044
EOS-3-32750,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccc2F)cn1,OSEJIZRVMSCOOO-UHFFFAOYSA-N,3,1,0.553,35,494,445.433,3.851,5,0.392,0.61,1.0,0.9437410047289425,0.9349513398670414,0.7753666643821534,0.7300476321019806,0.8460266602700295
EOS-3-32751,c1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc(-n2cccn2)c1,XUGCVHSZMQMDFF-UHFFFAOYSA-N,3,1,0.308,38,818,416.448,4.101,6,0.43,0.73,1.0,0.022068398327736275,0.03490165170310466,0.5095349873209513,0.5278425056541703,0.2735868857514906
EOS-3-32752,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1ccccn1,DKTIMCXUOOZUPH-UHFFFAOYSA-N,3,1,0.506,97,89,450.836,4.759,5,0.359,0.76,1.0,0.9543468576519772,0.9161041052703721,0.9254334863957234,0.9266585566445069,0.9306357514906449
EOS-3-32753,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)ncc1Cl,BFDYAMZXNLECBY-UHFFFAOYSA-N,3,1,0.537,24,786,435.9,4.246,5,0.407,0.68,1.0,0.6065982454937976,0.6845572613254746,0.4712836680145295,0.4578935645260777,0.5550831848399699
EOS-3-32754,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc(C)c(C)n5C)nc4)n23)c(C)n1,GRNFTJIMANPRKN-UHFFFAOYSA-N,3,1,0.511,31,579,454.538,3.837,5,0.385,0.68,1.0,0.4481958056336098,0.30436570488657394,0.07344424645329313,0.03232300733328764,0.21458219107669113
EOS-3-32756,CCn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nnn(C)n6)cn5)n34)nc2)cn1,CUDMMIUHDLMCIP-UHFFFAOYSA-N,3,1,0.32,99,502,466.469,2.448,6,0.359,0.69,1.0,0.1956085943389761,0.13735350558563497,0.05341477623192379,0.0312949763552875,0.1044179631279556
EOS-3-32757,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6F)cn5)n34)n2)nc1,VVJQSLIKNAWBQK-UHFFFAOYSA-N,3,1,0.27,10,118,471.406,3.913,6,0.384,0.66,0.908,0.05646460146665753,0.24825234733739976,0.680188129668974,0.7640411897745185,0.43723656706188746
EOS-3-32758,COc1ncc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)cc3F)n12,AXWFBPAQSBENJR-UHFFFAOYSA-N,3,1,0.547,35,325,451.393,3.145,5,0.368,0.64,1.0,0.8534798848605305,0.7136848057021452,0.4780943732437804,0.39776231923788635,0.6107553457610857
EOS-3-32759,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5c(F)cccc5F)nn4)n23)cc1,IGCGMAUUSSEIIX-UHFFFAOYSA-N,3,1,0.301,39,144,471.406,3.913,6,0.384,0.66,0.96,0.03778013844150504,0.16787745870742238,0.6141200054828319,0.7485864574052498,0.39209101500925225
EOS-3-32760,Clc1cnc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5ccnnc5)n4)n23)nc1,OSMXWEUAMYFFLY-UHFFFAOYSA-N,3,1,0.259,86,588,465.868,3.211,6,0.382,0.62,1.0,0.20126276471797683,0.2377321636625317,0.12078507299019944,0.2076365567815777,0.1918541395380714
EOS-3-32762,Cn1nc(-c2cccc(C(F)(F)F)c2F)nc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,GIOZTGZQFPTADQ-UHFFFAOYSA-N,3,1,0.388,61,316,482.401,3.511,5,0.392,0.77,1.0,0.2313926392981975,0.3911829209786855,0.848125556850113,0.7460420807346995,0.5541857994654239
EOS-3-32763,c1ccc(Oc2ccc(-c3nnc4cncc(OCc5ncn(-c6ccccn6)n5)n34)cc2)cc1,YZWOVMHPFPYDRD-UHFFFAOYSA-N,3,1,0.473,17,960,462.473,4.138,6,0.349,0.73,1.0,0.3216280583921596,0.23774073058734838,0.310114111438558,0.30895757658830786,0.29461011925159347
EOS-3-32764,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4nc[nH]n4)n3)n12,XFPVKHDKJKYOAL-UHFFFAOYSA-N,3,1,0.511,4,10,422.811,3.343,5,0.462,0.58,1.0,0.6917534781714756,0.8247207182509766,0.5368120759372216,0.6011925159344802,0.6636196970735385
EOS-3-32765,Cc1noc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(Cl)n5)n34)c2)n1,LISARFISVBXFKI-UHFFFAOYSA-N,3,1,0.451,7,55,438.81,3.311,5,0.407,0.61,1.0,0.6066068124186142,0.5406500582550887,0.2957730792954561,0.3023953121787403,0.43635631553697485
EOS-3-32766,CCOc1c(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)ccc(Cl)c1C,CMOGWEXMSVGTIT-UHFFFAOYSA-N,3,1,0.311,66,225,448.836,4.551,4,0.445,0.61,0.862,0.5068706737029676,0.5733071756562265,0.9262816119525735,0.8423857172229456,0.7122112946336783
EOS-3-32767,Cc1nc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4)n23)n1,YILRNXYNUPLCJV-UHFFFAOYSA-N,3,1,0.473,4,22,418.848,3.512,5,0.435,0.67,1.0,0.6770012336371736,0.689628880816942,0.45735384826262765,0.4515797409361935,0.5688909259132342
EOS-3-32769,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)cc2F)c1,PVNCBGWOSRKWNW-UHFFFAOYSA-N,3,1,0.59,59,16,452.852,4.702,5,0.386,0.72,1.0,0.9171064354739222,0.8863426084572682,0.9369560002741416,0.9368017956274416,0.9193017099581934
EOS-3-32770,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1F,LKKPTSPBVMDESS-UHFFFAOYSA-N,3,1,0.588,35,626,449.877,4.001,5,0.364,0.67,1.0,0.936947433349325,0.9033993557672538,0.6936553354807758,0.691899115893359,0.8064753101226785
EOS-3-32771,N#Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)c1,RICYXENOXOEEFR-UHFFFAOYSA-N,3,1,0.512,65,393,421.424,2.531,5,0.406,0.63,1.0,0.7374323212939483,0.5935936536220958,0.4210043862655061,0.39777088616270306,0.5374503118360634
EOS-3-32772,Fc1cncc(-c2nnsc2COc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,RXRPRKRDBRSHGO-UHFFFAOYSA-N,3,1,0.511,73,772,441.398,3.701,5,0.411,0.7,1.0,0.5531577684874237,0.7183109451031457,0.6258309917072168,0.732874717291481,0.6575436056473168
EOS-3-32773,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)c2)o1,AXFLDKQNIMAPBY-UHFFFAOYSA-N,3,1,0.452,18,840,431.431,3.614,5,0.402,0.63,1.0,0.6006013981221301,0.4284490439311905,0.4068004249194709,0.29621855938592284,0.4330173565896786
EOS-3-32775,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cnnc(-c5cncnc5)c4)n23)cc1,IWKKBPDFUVMCKB-UHFFFAOYSA-N,3,1,0.307,94,515,430.435,3.162,6,0.415,0.56,0.974,0.10008738263313001,0.09754300596257967,0.3101226783633747,0.35949386608183126,0.2168117332602289
EOS-3-32776,Cn1nc(-c2nnc3cncc(OCc4cccnn4)n23)cc1-c1ccnc(Cl)c1,UNFAKSJBRSJMEQ-UHFFFAOYSA-N,3,1,0.424,53,694,419.836,2.609,5,0.4,0.7,0.996,0.25315262833253377,0.3043742718113906,0.21283668014529505,0.24850078815708312,0.25471609211157564
EOS-3-32777,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c(F)c1,NMNWPSNKWYYETN-UHFFFAOYSA-N,3,1,0.5,16,353,453.84,4.097,5,0.373,0.68,1.0,0.8624066205194983,0.8169248166678089,0.8464635734356796,0.832448084435611,0.8395607737646493
EOS-3-32778,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)s1,ZVOKEJNXTYAHAJ-UHFFFAOYSA-N,3,1,0.556,2,884,418.457,4.336,5,0.423,0.79,1.0,0.6616835720649715,0.5839215955040779,0.647076965252553,0.6137344938660818,0.626604156671921
EOS-3-32779,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(CF)n5)n34)ncn2)c(C)n1,WLJPGBFAVCEKPY-UHFFFAOYSA-N,3,1,0.406,31,113,458.461,2.536,5,0.359,0.64,1.0,0.4340603796861079,0.2787163319854705,0.041506750736755534,0.02569220752518676,0.19499391748338019
EOS-3-32780,c1cnnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)c1,OYGCGJWDZRSODJ-UHFFFAOYSA-N,3,1,0.359,6,584,450.426,1.797,6,0.394,0.57,0.999,0.45298471660612705,0.3819392091015009,0.057072853128640945,0.047812007401823044,0.23495219655952299
EOS-3-32781,Fc1ncc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)nc3)n12,AQUOJUARHHJGES-UHFFFAOYSA-N,3,1,0.479,65,510,439.798,2.44,5,0.388,0.65,1.0,0.6709786854910561,0.6747224316359399,0.12079363991501611,0.17395140840243986,0.410111541361113
EOS-3-32782,Cn1nc(-c2cccc(Cl)n2)nc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,HXVZZPKFWUVRMS-UHFFFAOYSA-N,3,1,0.475,22,706,439.266,4.081,5,0.39,0.69,1.0,0.5401189089164553,0.679802618052224,0.2848331163045713,0.4484613803029265,0.4883040058940442
EOS-3-32783,Cc1ncncc1-c1cc(-c2nnc3cncc(COc4ccc(Cl)cn4)n23)ccn1,DANKDZFGPUKQHQ-UHFFFAOYSA-N,3,1,0.362,75,767,430.859,3.579,5,0.416,0.61,1.0,0.49674456856966626,0.49988006305256666,0.42819203618669044,0.3977794530875197,0.45564903022411074
EOS-3-32784,Cc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCc3cc(Cl)ncn3)n12,NBXJKJKWULUONC-UHFFFAOYSA-N,3,1,0.467,4,354,448.849,3.718,5,0.375,0.65,1.0,0.6770098005619902,0.7275203892810637,0.44320128846549245,0.4640960180933452,0.5779568741004729
EOS-3-32785,Cc1nc(COc2cncc3nnc(-c4cc(-c5cnn(C)c5)ccn4)n23)ccc1F,DTWTYQQINROCLM-UHFFFAOYSA-N,3,1,0.44,92,544,416.42,3.008,5,0.435,0.7,1.0,0.3242238366116099,0.2787248989102872,0.43970598314029197,0.33713419231032826,0.34494722774312936
EOS-3-32786,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)n1,BXKRHWFYWUPTKD-UHFFFAOYSA-N,3,1,0.523,20,658,418.392,2.7,5,0.41,0.72,1.0,0.5923343156740456,0.5839301624288945,0.1952316496470427,0.17664998971969023,0.3870365293674183
EOS-3-32787,Cc1nnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)n2)s1,ZCCINMQQLFXLSF-UHFFFAOYSA-N,3,1,0.294,70,813,469.469,3.066,6,0.379,0.63,0.626,0.1455177849359194,0.24826091426221644,0.05537660201494072,0.09833972997052978,0.13687375779590158
EOS-3-32788,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)nc2)cn1,MHZILRHSBWDPKI-UHFFFAOYSA-N,3,1,0.343,38,983,418.42,3.965,6,0.423,0.69,1.0,0.15943903776300458,0.11981701048591598,0.49878349667603317,0.4792166403947639,0.31431404632992943
EOS-3-32790,OCc1cc(-c2nnc3cncc(OCc4nc(-c5ccccc5)cs4)n23)ccc1Cl,XWHJKIWHUDUGLA-UHFFFAOYSA-N,3,1,0.511,1,347,449.923,4.64,5,0.406,0.76,0.999,0.7554228634089507,0.8284644643958604,0.6827753409636077,0.7195017476526626,0.7465411041052703
EOS-3-32791,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)[nH]n2)cn1,QTUPWTRRZKAVHV-UHFFFAOYSA-N,3,1,0.57,84,963,450.865,3.694,5,0.42,0.63,0.999,0.6738057706805565,0.5177592351449524,0.5956668494277294,0.6042423411692139,0.597868549105613
EOS-3-32792,Clc1nccnc1CCOc1cncc2nnc(-c3cccnc3-c3ncccn3)n12,BDZFIUFOVXBAFK-UHFFFAOYSA-N,3,1,0.478,65,262,431.847,2.708,5,0.4,0.6,1.0,0.6462545404701528,0.6944520594887259,0.06915221712014255,0.11370022616681516,0.38088976081145914
EOS-3-32793,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncn4)n23)cc1,TWBIJFAWPVDGNF-UHFFFAOYSA-N,3,1,0.5,73,463,414.404,3.065,5,0.432,0.7,1.0,0.7815091494757042,0.7229884860530464,0.354884860530464,0.31812418614214244,0.5443766705503392
EOS-3-32794,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)s1,MWXGGNCUCJYKKM-UHFFFAOYSA-N,3,1,0.662,97,805,434.912,4.851,5,0.393,0.76,1.0,0.897436776094853,0.9100387225001714,0.5266859708039202,0.557715372489891,0.7229692104722089
EOS-3-32795,c1ccc(-c2ncc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)cn5)n34)cn2)nc1,RVQJFLPZVQZUHH-UHFFFAOYSA-N,3,1,0.462,80,816,462.437,1.864,6,0.354,0.61,1.0,0.3712733877047495,0.23774929751216503,0.06690768281817559,0.06042252073195806,0.18408822219176205
EOS-3-32796,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)cn5)ncn4)n23)cn1,BZMXFJLQQKIHQG-UHFFFAOYSA-N,3,1,0.402,7,113,422.412,2.192,5,0.414,0.61,1.0,0.4669488040572956,0.4196079775203893,0.2589353025837845,0.19872695497224316,0.33605475978342814
EOS-3-32797,Clc1ccnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)c2)n1,BQXMTMSQPSDWHR-UHFFFAOYSA-N,3,1,0.318,86,459,454.841,3.409,6,0.364,0.65,1.0,0.2907271605784388,0.319811870331026,0.2589438695086012,0.3211740113768762,0.29766422794873554
EOS-3-32798,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)o5)ncc4C)n23)cc1,SUUHBZOQGZIVDV-UHFFFAOYSA-N,3,1,0.542,89,250,413.441,3.741,5,0.429,0.81,1.0,0.5555308066616408,0.29937975464327327,0.24836371736001644,0.17137276403262286,0.31866176067438834
EOS-3-32799,COc1c(C)cnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)c1F,DLENPRUDUXCMTE-UHFFFAOYSA-N,3,1,0.467,16,325,461.432,3.818,5,0.376,0.67,1.0,0.8012302104036735,0.8012045096292235,0.5893187581385786,0.45790213145089437,0.6624139024055925
EOS-3-32800,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccccn5)n4)n23)c(Br)c1,KOEHRVFPGBDYNT-UHFFFAOYSA-N,3,1,0.462,24,335,474.322,4.293,5,0.375,0.78,1.0,0.7317438832156808,0.7275289562058803,0.3737149612774998,0.36620176821328215,0.5497973922280858
EOS-3-32801,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cncc(F)c5)n34)c2)nc1,GFPQJHBLSQBZRI-UHFFFAOYSA-N,3,1,0.432,46,949,418.367,2.896,5,0.429,0.63,1.0,0.7403707765060654,0.5270372147214036,0.5333938729353711,0.5243557672537866,0.5812894078541566
EOS-3-32802,Cn1nc(Cl)cc1COc1cncc2nnc(-c3cc(-c4cnccn4)ccn3)n12,WHLDUKBSHNTFHL-UHFFFAOYSA-N,3,1,0.4,7,181,419.836,2.609,5,0.427,0.66,1.0,0.27678877390172024,0.31982043725584264,0.20934994174491126,0.21919333835926255,0.25628812281543417
EOS-3-32803,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c1,WSCINWKTCARYIF-UHFFFAOYSA-N,3,1,0.517,16,55,435.85,3.958,5,0.389,0.64,1.0,0.6404547323692688,0.545310465355356,0.8155883763964088,0.796989582619423,0.699585789185114
EOS-3-32804,Cn1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)nn5)n34)cc2)n1,LYOXBEPIRKYFMV-UHFFFAOYSA-N,3,1,0.363,67,622,451.454,2.57,6,0.388,0.59,0.999,0.38289013775615105,0.2227743129326297,0.10663251319306422,0.07219347543005962,0.19612260982797614
EOS-3-32805,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nncs5)ncc4F)n23)cc1,FCEPSTGGGOIWNK-UHFFFAOYSA-N,3,1,0.537,89,389,419.445,3.731,5,0.429,0.71,1.0,0.9084538414090878,0.7718028236584196,0.47465046946747996,0.45158830786101023,0.6516238605989993
EOS-3-32806,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cncc(OC)c4)n23)c1,GHGMUBLXBWZWSM-UHFFFAOYSA-N,3,1,0.442,2,905,428.456,3.052,5,0.389,0.68,0.999,0.2741672949078199,0.14106298403125214,0.36229525049688166,0.20764512370639435,0.24629266328558702
EOS-3-32807,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5nnco5)n4)n23)cn1,FFORAAAXYYYJRI-UHFFFAOYSA-N,3,1,0.36,80,816,453.426,2.006,6,0.364,0.63,1.0,0.41815160030155574,0.22278287985744638,0.040024672743472,0.027576930984853677,0.17713402097183195
EOS-3-32808,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6F)cn5)n34)c2)nn1,QRSQKEVPMIRYPK-UHFFFAOYSA-N,3,1,0.284,42,693,467.443,3.989,6,0.387,0.66,1.0,0.08340758001507778,0.20284764580906037,0.7196302515249127,0.7485950243300665,0.43862012541977935
EOS-3-32809,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4F)n23)cn1,XBSPVHCEMGVQFW-UHFFFAOYSA-N,3,1,0.276,39,449,467.443,3.989,6,0.387,0.65,0.966,0.2531611952573504,0.25312692755808375,0.5130217257213351,0.5607737646494414,0.3950209032965526
EOS-3-32810,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5cncc(F)c5)ncn4)n23)n1,UJRQQCXADPFYJD-UHFFFAOYSA-N,3,1,0.381,31,194,451.853,2.791,5,0.387,0.62,0.997,0.45299328353094376,0.41498183811938866,0.25206462888081693,0.3306661640737441,0.3626764786512234
EOS-3-32811,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cccc(-c4ccccn4)c3)n12,VYFCNZSOYBWTRH-UHFFFAOYSA-N,3,1,0.553,1,666,432.846,4.62,5,0.403,0.69,1.0,0.697878829415393,0.732206497155781,0.7907442944280721,0.8223562470015763,0.7607964670002056
EOS-3-32813,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)[nH]n2)c(Cl)c1,MJMSHVVSPNUZQC-UHFFFAOYSA-N,3,1,0.472,59,963,456.268,4.601,5,0.416,0.7,1.0,0.7007744500034268,0.5839387293537112,0.8824446576656844,0.9266671235693236,0.7734562401480365
EOS-3-32814,Cn1c(-c2ccccc2)cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1=O,DWEOJBLRBBNTKX-UHFFFAOYSA-N,3,1,0.516,11,848,442.454,3.313,5,0.401,0.59,0.985,0.6404632992940854,0.4813241038996642,0.5233363032006031,0.5412668768418888,0.5465976458090603
EOS-3-32815,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)nn2C)cn1,ZPWAFWIDEVWCKQ-UHFFFAOYSA-N,3,1,0.57,95,381,448.437,3.19,5,0.394,0.63,1.0,0.4770149407168803,0.30438283873620725,0.4746590363922966,0.4420361866904256,0.42452325063395246
EOS-3-32816,OCc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccn5)ncn4)n23)cn1,BAUAKXBZWIZPOI-UHFFFAOYSA-N,3,1,0.489,24,354,430.403,2.249,5,0.432,0.59,1.0,0.5804434240285107,0.6217617024192996,0.4282006031115071,0.3756682201357001,0.5015184874237544
EOS-3-32817,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccnc(F)c6)n5)n34)nc2)c1,WIGBNZGWWLFAAP-UHFFFAOYSA-N,3,1,0.315,10,871,453.416,3.774,6,0.375,0.62,1.0,0.015548968542252073,0.1410715509560688,0.5893273250633952,0.6656500582550887,0.3528994757042012
EOS-3-32818,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)nn1,HZACMTTVUHPOLS-UHFFFAOYSA-N,3,1,0.297,98,890,436.443,1.839,6,0.406,0.54,1.0,0.02662600233020355,0.01637139332465218,0.0609965046946748,0.06503152628332534,0.042256356658213964
EOS-3-32819,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccn2)on1,OFYIWUQDXOGXMQ-UHFFFAOYSA-N,3,1,0.483,2,564,421.367,3.402,5,0.425,0.67,1.0,0.7161692138989788,0.5361352888767048,0.6664553491878555,0.5982626276471797,0.6292556199026798
EOS-3-32820,Fc1nc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1-c1ncccn1,IELYFGVJJWIXLB-UHFFFAOYSA-N,3,1,0.417,18,262,449.837,2.847,5,0.36,0.61,0.986,0.7926718525118224,0.7677078335960523,0.20576040024672743,0.2546518401754506,0.5051979816325132
EOS-3-32821,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ncn2)c(Cl)cn1,FONHAHSMGGTOLK-UHFFFAOYSA-N,3,1,0.411,18,194,449.837,2.847,5,0.36,0.61,0.438,0.767382290453019,0.6944606264135426,0.4467222945651429,0.4855218970598314,0.5985217771228839
EOS-3-32822,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1-c1cnccn1,CKQNWBQBUVUFKA-UHFFFAOYSA-N,3,1,0.478,16,540,447.405,3.509,5,0.365,0.62,1.0,0.940734014118292,0.7547803440477007,0.7664227948735521,0.6514203961346036,0.7783393872935371
EOS-3-32823,c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncs6)cn5)n34)cc2)n[nH]1,YVYNUVSNHFCULG-UHFFFAOYSA-N,3,1,0.437,56,518,454.479,3.069,6,0.403,0.63,1.0,0.5193441162360359,0.43754711808649166,0.17874888629977384,0.14757384689191969,0.3208034918785553
EOS-3-32824,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cnccn5)no4)n23)cc1,QQYANANOENMFEV-UHFFFAOYSA-N,3,1,0.435,56,8,453.426,2.006,6,0.364,0.61,1.0,0.3737235282023165,0.2482694811870331,0.03589541498183812,0.029418819820437255,0.17182681104790626
EOS-3-32825,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cscn1,SDLLNUPTNPVDNR-UHFFFAOYSA-N,3,1,0.489,97,383,450.911,4.551,5,0.375,0.76,1.0,0.8487852100609965,0.7043896922760606,0.6774724145020903,0.6074977725995476,0.7095362723596736
EOS-3-32826,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(Cl)c5)n4)n23)nc1,QOODCPGJMXGHQU-UHFFFAOYSA-N,3,1,0.279,99,681,473.863,3.022,6,0.383,0.64,0.677,0.042337742443972315,0.22794016859708038,0.277594064834487,0.38863854430813516,0.23412763004591872
EOS-3-32827,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)nn1)N1CCOCC1,KSLMQPSSKOAZNX-UHFFFAOYSA-N,3,1,0.404,52,229,483.467,2.317,6,0.354,0.8,1.0,0.054571311082173946,0.017964841340552394,0.008489822493317799,0.036469398944554865,0.029373843465149752
EOS-3-32828,Cc1ncc(-c2cccc(-c3nnc4cncc(Cc5ccc(Cl)c(Cl)n5)n34)c2)cn1,QEXYYBMYIKSFAQ-UHFFFAOYSA-N,3,1,0.354,14,81,448.317,4.849,5,0.366,0.75,1.0,0.34144335549311217,0.3723099856075663,0.7196388184497293,0.7761119868412035,0.5523760365979028
EOS-3-32829,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)cn1,VAKULBXHOSKTRB-UHFFFAOYSA-N,3,1,0.553,88,161,448.408,4.287,5,0.361,0.71,1.0,0.9698101569460627,0.9681396066068124,0.9305479405112741,0.9236172983345898,0.9480287505996847
EOS-3-32830,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nc(C)n2)nn1,FWXUOKVSJQTXEN-UHFFFAOYSA-N,3,1,0.4,53,122,445.874,3.283,5,0.375,0.61,1.0,0.42528784867384006,0.4149904050442053,0.14699129600438626,0.15276540333082037,0.28500873826331297
EOS-3-32831,COc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnn5C)c(Cl)c4)n23)cn1,JDVICXFMVCGBOQ-UHFFFAOYSA-N,3,1,0.512,16,815,448.874,3.223,5,0.39,0.61,1.0,0.4298197519018573,0.5087382633130012,0.4210129531903228,0.33067473099856076,0.4225614248509355
EOS-3-32832,Cc1ccccc1COc1cnc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,FGIJQOUWGKWGQQ-UHFFFAOYSA-N,3,1,0.461,96,837,446.873,4.928,5,0.381,0.76,1.0,0.7345195668562813,0.8987817832910698,0.8481341237749298,0.8477828798574464,0.8323045884449318
EOS-3-32833,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ncn2)c(F)c1,PDERLBABODAGEM-UHFFFAOYSA-N,3,1,0.473,44,130,427.443,3.712,5,0.408,0.64,0.993,0.7345281337810979,0.5733157425810431,0.5736584195737098,0.544642245219656,0.6065361352888767
EOS-3-32834,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5cccc(Cl)c5)n34)n2)n1,XNSNLDRQWAAVJO-UHFFFAOYSA-N,3,1,0.311,39,527,471.847,3.079,6,0.356,0.68,0.896,0.024295798780069905,0.16788602563223906,0.11799225549996573,0.2870605167569049,0.14930864916729492
EOS-3-32835,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)cnn2)cc1,GVJOBUWKNPGFMS-UHFFFAOYSA-N,3,1,0.518,37,795,448.849,3.452,5,0.389,0.57,1.0,0.7580443424028511,0.8643513124528819,0.43204715235419094,0.5412754437667056,0.6489295627441574
EOS-3-32836,c1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)nc1,QTWRYBXCHNUFNR-UHFFFAOYSA-N,3,1,0.292,32,557,435.476,3.829,6,0.411,0.61,1.0,0.1130234391062984,0.11640737440888219,0.11197827427866493,0.14758241381673634,0.12224787540264545
EOS-3-32837,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)no1,SKMQEAPFVIPZSV-UHFFFAOYSA-N,3,1,0.6,4,921,419.832,3.777,5,0.424,0.71,1.0,0.4366133232814749,0.517767802069769,0.3623038174216983,0.3852203413062847,0.42547632101980676
EOS-3-32838,Cn1ncnc1-c1nccnc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,OQYXMWVVFKHNBS-UHFFFAOYSA-N,3,1,0.447,7,185,436.386,2.288,5,0.394,0.59,0.801,0.41816016722637245,0.40564389006922075,0.16915393050510588,0.14759098074155302,0.285137242135563
EOS-3-32839,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cn1,HAPYYFYQYUUNRC-UHFFFAOYSA-N,3,1,0.576,4,506,431.887,4.302,5,0.398,0.67,1.0,0.25836131862106776,0.39580049345486945,0.560088410664108,0.5577239394147077,0.4429935405386882
EOS-3-32840,Cc1cnc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnn5C)n4)n23)cn1,QMJXPMLCYCYYLO-UHFFFAOYSA-N,3,1,0.435,7,828,417.408,2.403,5,0.429,0.68,0.95,0.38069700500308407,0.372318552532383,0.16571002672880542,0.13153656363511754,0.2625655369748475
EOS-3-32841,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccon6)cn5)n34)cc2)nc1,HCSKRWKQGUYEDK-UHFFFAOYSA-N,3,1,0.442,40,518,449.434,3.272,6,0.373,0.66,1.0,0.5143067644438353,0.3958090603796861,0.237492289767665,0.1958998697827428,0.33587699609348226
EOS-3-32842,FC(F)c1ccc(-c2nnc3cncc(Cc4cc(-c5nn[nH]n5)cc(C(F)(F)F)c4)n23)cc1,VGLYMIGKLFHDDM-UHFFFAOYSA-N,3,1,0.36,66,225,472.381,4.519,5,0.378,0.78,1.0,0.5018333219107669,0.5453190322801728,0.9915787129052156,0.9818638201631142,0.7551487218148174
EOS-3-32843,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5nncs5)ccn4)n23)ccn1,TWAPCHBCPYZJMF-UHFFFAOYSA-N,3,1,0.444,18,88,420.433,2.86,5,0.386,0.69,1.0,0.5894386950860119,0.4953138921252827,0.26972106092796927,0.26949832088273595,0.40599299225549995
EOS-3-32844,Cc1ccc(-c2nnc3cncc(Oc4nnc(-c5nc(C)n(C)n5)cc4F)n23)cn1,JXKNGMRGFYKURQ-UHFFFAOYSA-N,3,1,0.411,36,185,418.396,2.32,5,0.433,0.68,1.0,0.46695737098211226,0.42845761085600714,0.034610376259337945,0.023841751764786513,0.23846677746556097
EOS-3-32845,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4)n23)n(C)n1,OTLFVINSGCVXOB-UHFFFAOYSA-N,3,1,0.449,7,930,417.408,2.403,5,0.429,0.69,1.0,0.43662189020629155,0.44631108217394283,0.14127715715166883,0.10664108011788088,0.28271280241244606
EOS-3-32846,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5C)cc4C(F)F)n23)cn1,DBEKXTXVPQCIHG-UHFFFAOYSA-N,3,1,0.346,62,3,470.483,5.126,5,0.385,0.86,1.0,0.29073572750325544,0.27873346583510383,0.8545421835377973,0.7737732163662532,0.5494461483106025
EOS-3-32847,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nn2C)nc1,VRORVGHCDHGXRB-UHFFFAOYSA-N,3,1,0.404,31,569,447.89,2.96,5,0.365,0.65,1.0,0.3484425330683298,0.3043914056610239,0.07554314303337674,0.09235144952367898,0.20518213282160236
EOS-3-32848,Cc1nc(C)n(-c2cccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)n1,XEZNKYPNXGBMLT-UHFFFAOYSA-N,3,1,0.431,51,379,451.853,3.15,5,0.375,0.66,1.0,0.3462322664656295,0.4056524569940374,0.1657185936536221,0.17964841340552395,0.27431293262970324
EOS-3-32849,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3ccnc(C)n3)n12,AZVXCMZSZITOJO-UHFFFAOYSA-N,3,1,0.463,31,456,443.471,2.315,5,0.373,0.61,0.998,0.37128195462956615,0.12700466040710026,0.061005071619491466,0.022265437598519636,0.14538928106366936
EOS-3-32850,Fc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c1Cl,PVLKACYGFDZSHA-UHFFFAOYSA-N,3,1,0.558,75,420,448.849,3.452,5,0.364,0.63,1.0,0.8688489479816325,0.831985470495511,0.5058340758001508,0.5243643341786033,0.6827582071139744
EOS-3-32851,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnc6)c5)n34)cc2)nn1,XTRXNJWILMYLJI-UHFFFAOYSA-N,3,1,0.307,98,725,432.451,3.106,6,0.418,0.56,1.0,0.04666403947638956,0.03775443766705503,0.33589198821191146,0.337142759235145,0.18936330614762525
EOS-3-32852,Fc1c(Cl)cccc1Cc1cncc2nnc(-c3nccnc3-c3cncs3)n12,JBNHMJBEGZQXJO-UHFFFAOYSA-N,3,1,0.333,85,961,423.864,4.088,5,0.433,0.65,0.776,0.2907442944280721,0.33354465081214446,0.5058426427249675,0.6541618120759373,0.44607335001028037
EOS-3-32853,Cn1cnnc1-c1ccc(F)c(-c2nnc3cncc(-c4ncnnc4-c4ccc(F)cc4)n23)n1,FFYSNLJCTCDLRP-UHFFFAOYSA-N,3,1,0.31,10,356,469.419,2.779,6,0.383,0.62,0.647,0.21484134055239532,0.26859022685216916,0.18845521211705846,0.3151771640052087,0.24676598588170792
EOS-3-32854,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)n(C)n1,VLTKMDMDMGEDJF-UHFFFAOYSA-N,3,1,0.455,51,196,450.865,3.662,5,0.403,0.61,1.0,0.6178209170036324,0.6360341991638682,0.4608834212870948,0.4547066684942773,0.5423613014872182
EOS-3-32855,NC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OC4CCC(=O)C4)n23)cn1,NBVWTBZMQITJOT-UHFFFAOYSA-N,3,1,0.317,63,169,415.413,1.848,5,0.521,0.62,1.0,0.17574189568912343,0.03491021862792132,0.014143992872318552,0.026557466931670208,0.06283839353025837
EOS-3-32856,N#Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)n1,MPZPSDGOGYDXFM-UHFFFAOYSA-N,3,1,0.5,4,43,424.399,3.233,5,0.395,0.65,1.0,0.6316650675073675,0.6944691933383592,0.677480981426907,0.6195771365910493,0.6557980947159208
EOS-3-32857,NC(=O)c1ccc(-c2nnc3cncc(OCc4cn(Cc5cnc(Cl)s5)nn4)n23)nc1,KWEWSGSNZXYTNP-UHFFFAOYSA-N,3,1,0.5,33,760,468.89,1.614,5,0.375,0.63,1.0,0.11859194023713247,0.17655575354670688,0.02220546912480296,0.020654855732986088,0.08450200466040711
EOS-3-32859,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccn(C)n5)cc4F)n23)cn1,SJKCQMRMLMLXOS-UHFFFAOYSA-N,3,1,0.276,39,972,464.468,3.553,6,0.389,0.6,1.0,0.15147179768350352,0.20285621273387705,0.3286443698170105,0.3181327530669591,0.2502762833253376
EOS-3-32860,CCOc1cnc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)cn1,JNRPUXLIXUSGFL-UHFFFAOYSA-N,3,1,0.391,82,155,413.416,3.848,5,0.432,0.79,1.0,0.5274826948118704,0.6602100609965047,0.5334024398601878,0.5146580083613186,0.5589383010074704
EOS-3-32861,Cc1cc(-c2nnc3cncc(-c4cc(-c5cc(F)c(Cl)nn5)no4)n23)ccc1Cl,HHBLRESUQWWUOQ-UHFFFAOYSA-N,3,1,0.35,22,844,442.241,4.658,5,0.401,0.7,0.994,0.36217531354944826,0.5087468302378179,0.777773970255637,0.8630919745048318,0.6279470221369337
EOS-3-32862,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)n1,YJMYOKQZIKSTAY-UHFFFAOYSA-N,3,1,0.39,46,531,464.411,3.386,5,0.377,0.62,0.999,0.6917620450962922,0.5888904118977452,0.5368206428620382,0.5412840106915222,0.5896892776368994
EOS-3-32863,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)cn2)n(CCO)n1,YUSNXRXDMBVIRV-UHFFFAOYSA-N,3,1,0.291,70,899,476.504,2.87,6,0.385,0.72,0.961,0.12093927763689946,0.07822459050099376,0.07114831060242616,0.09236001644849565,0.09066804879720375
EOS-3-32864,c1ccc(-c2ncncc2-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc1,XWQVAAAVKKUZJL-UHFFFAOYSA-N,3,1,0.357,69,645,417.432,4.57,6,0.415,0.81,1.0,0.21484990747721197,0.11065896785689809,0.5989908162565966,0.619585703515866,0.3860213487766432
EOS-3-32865,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cc2)c1,VUXCEVJUKSUOQP-UHFFFAOYSA-N,3,1,0.348,69,867,417.432,4.57,6,0.415,0.81,1.0,0.20397847988486054,0.14108011788088548,0.6526111986841203,0.6599102186279213,0.41439500376944693
EOS-3-32866,Cc1cc(-c2nnc3cncc(OCc4c(F)cnc(F)c4F)n23)ccc1-c1nccn1C,KKMZSUPDUNPWSK-UHFFFAOYSA-N,3,1,0.472,16,353,451.412,3.892,5,0.377,0.66,1.0,0.7643067644438353,0.6845658282502913,0.8118360633267082,0.7328832842162977,0.7483979850592831
EOS-3-32867,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccns5)c4)n23)cc1,BWMHRNBJMMNDAB-UHFFFAOYSA-N,3,1,0.338,9,98,436.504,4.377,6,0.408,0.67,1.0,0.07496915907066,0.056061956000274145,0.40307381262422043,0.4199592214378727,0.23851603728325682
EOS-3-32868,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)c(F)c4)n23)nc1,UAAFCKGRGRWLKO-UHFFFAOYSA-N,3,1,0.43,67,789,469.444,2.709,6,0.374,0.65,1.0,0.5248526488931533,0.5839472962785278,0.20207662257556028,0.1878298266054417,0.3746765985881708
EOS-3-32869,Cc1nnc(-c2ccc(F)c(-c3nnc4cncc(-c5cccc(-c6nnn(C)n6)n5)n34)n2)n1C,KOTKICYAEUEVMA-UHFFFAOYSA-N,3,1,0.267,99,794,469.448,1.682,6,0.374,0.61,0.646,0.10009594955794668,0.17210095264203962,0.007607429237201015,0.007873003906517717,0.07191933383592626
EOS-3-32870,CCn1cc(-c2nnc(Cc3cncc4nnc(-c5ccc(F)cc5F)n34)[nH]2)c(C)n1,MHPCOZUXCMQEHQ-UHFFFAOYSA-N,3,1,0.343,85,784,421.415,2.97,5,0.468,0.62,1.0,0.13486053046398463,0.30942875745322457,0.1787574532245905,0.2515420464670002,0.21864719690219997
EOS-3-32871,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)cn1,JBBHYNOIKWNTSD-UHFFFAOYSA-N,3,1,0.54,75,530,428.431,3.107,5,0.406,0.58,1.0,0.752501542046467,0.6650332396682886,0.4134055239531218,0.3595024330066479,0.5476106846686314
EOS-3-32872,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3cc(F)cnc3F)n12,AMRPROHIPJWYRL-UHFFFAOYSA-N,3,1,0.436,55,456,450.409,2.848,5,0.364,0.63,0.855,0.6522942224659036,0.47704920841614695,0.4746676033171133,0.34996744568569665,0.4884946199712151
EOS-3-32873,N#Cc1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)c(F)c5)n4)n23)cc1,AYUTYLVDNKBODU-UHFFFAOYSA-N,3,1,0.453,29,704,412.363,3.46,5,0.447,0.76,1.0,0.44351826468370914,0.65063223905147,0.8227931601672264,0.854730655883764,0.6929185799465425
EOS-3-32874,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)nc1,JVAFUFYYFYTTKT-UHFFFAOYSA-N,3,1,0.573,15,921,414.404,2.799,5,0.418,0.71,1.0,0.8345726817901447,0.767716400520869,0.38118531971763414,0.3662103351380988,0.5874211842916867
EOS-3-32875,Cc1ncc(-c2nc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n(C)n2)nc1Cl,QTQUMRXVJUYYFA-UHFFFAOYSA-N,3,1,0.326,98,882,471.872,3.056,6,0.376,0.64,0.835,0.16773182098553904,0.24827804811184978,0.04003323966828867,0.06665924199849223,0.13067558769104243
EOS-3-32876,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccncn5)n4)n23)cc1,ZPQQQRRCGHGFLN-UHFFFAOYSA-N,3,1,0.348,76,423,408.425,2.67,5,0.487,0.81,1.0,0.17876602014940718,0.04863443218422315,0.2736361455691865,0.18783839353025839,0.1722187478582688
EOS-3-32877,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4ncc(F)cn4)n23)n1,XKCVKKCWYYXROS-UHFFFAOYSA-N,3,1,0.278,76,902,451.429,2.64,6,0.398,0.56,0.992,0.13486909738880132,0.1639880748406552,0.0798351723665273,0.1160561304913988,0.12368711877184566
EOS-3-32878,COc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cncc(F)n3)n12,LLHNRDMPJNQPDK-UHFFFAOYSA-N,3,1,0.484,20,279,450.459,2.869,5,0.369,0.65,1.0,0.4181687341511891,0.4639075457473785,0.23750085669248167,0.19338976081145912,0.3282417243506271
EOS-3-32879,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cc2F)n1,VNYJGOGOXBYEIG-UHFFFAOYSA-N,3,1,0.57,37,619,422.449,3.102,5,0.448,0.65,1.0,0.7255842642724968,0.7322150640805977,0.2267664998971969,0.22491604413679667,0.4773704680967721
EOS-3-32880,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncco1,IRGAARHGRTWAAM-UHFFFAOYSA-N,3,1,0.528,35,777,432.415,3.611,5,0.385,0.61,1.0,0.8829244054554177,0.6309026111986841,0.6053389075457474,0.46091768898636143,0.6450209032965526
EOS-3-32881,Fc1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc(Cl)n1,KCFFICNPPXAHOM-UHFFFAOYSA-N,3,1,0.549,34,32,469.267,4.063,5,0.355,0.69,1.0,0.917115002398739,0.9554434240285107,0.652619765608937,0.7690442738674526,0.8235556164759097
EOS-3-32882,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ncc5Cl)ccn4)n23)cc1,IDWBQIOOLFJHER-UHFFFAOYSA-N,3,1,0.5,97,744,475.871,3.719,5,0.371,0.73,0.981,0.6860050716194914,0.49532245905009936,0.7477468987732163,0.6834264272496745,0.6531252141731204
EOS-3-32883,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccn1,YVQDFXBBQVIXEQ-UHFFFAOYSA-N,3,1,0.473,7,624,434.41,3.322,5,0.404,0.6,1.0,0.45754232060859434,0.35310294016859706,0.4987920636008498,0.4515968747858269,0.440258549790967
EOS-3-32884,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)c1,FNMCBCNNOINZFP-UHFFFAOYSA-N,3,1,0.267,64,27,461.464,4.215,6,0.384,0.65,1.0,0.27417586183263654,0.2579929408539511,0.5301555753546707,0.5767168117332603,0.40976029744362963
EOS-3-32885,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)nc5)cnn4)n23)nn1,KJFCUBHCFAZEME-UHFFFAOYSA-N,3,1,0.389,53,587,422.412,2.192,5,0.414,0.58,1.0,0.4252964155986567,0.4284661777808238,0.24118463436364881,0.20480090466726064,0.3249370331025975
EOS-3-32886,Fc1cnc(F)c(COc2cncc3nnc(-c4ccnc(-c5cnc(F)cn5)c4)n23)c1,LVUXJGVKWDKPIY-UHFFFAOYSA-N,3,1,0.477,55,199,436.357,3.035,5,0.387,0.6,1.0,0.8512610513330136,0.7930573641285724,0.7274689877321636,0.6948033034062093,0.7666476766499898
EOS-3-32887,Cc1csc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(N)=O)c(Cl)c5)n34)nc2)c1,YSWQOKKWEXJRIA-UHFFFAOYSA-N,3,1,0.412,13,412,462.922,4.768,5,0.403,0.77,1.0,0.6582910698375711,0.49040504420533204,0.5925399218696457,0.5313549448290041,0.5681477451853882
EOS-3-32888,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)ncc1-c1ccccn1,MOVDBFUAYGBQRS-UHFFFAOYSA-N,3,1,0.406,92,662,447.89,3.172,5,0.39,0.64,1.0,0.23420259063806456,0.2787420327599205,0.05342334315674046,0.06504009320814201,0.15785201494071688
EOS-3-32889,Cn1cc2nc(-c3cncc4nnc(-c5cnc(-n6ccc(C#N)n6)cn5)n34)ccc2n1,GOYNIVGOLPTLLL-UHFFFAOYSA-N,3,1,0.231,99,312,420.4,1.587,6,0.417,0.63,1.0,0.013227331916935097,0.041421081488588855,0.07984373929134397,0.10033582345281337,0.05870699403742033
EOS-3-32890,Cn1nncc1-c1ccc(-c2nnc3cncc(CCc4ncccn4)n23)c(Cl)c1,WPZMPWLOQXQBJD-UHFFFAOYSA-N,3,1,0.344,85,79,417.864,2.815,5,0.433,0.68,1.0,0.17877458707422383,0.26340723733808513,0.1412857240764855,0.22220032896991296,0.20141696936467685
EOS-3-32891,Cc1ncc(-c2ccccc2-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1C,JQXXNNALPGTHQH-UHFFFAOYSA-N,3,1,0.324,42,327,445.49,4.019,6,0.404,0.62,1.0,0.14294770749091906,0.06396066068124186,0.32865293674182716,0.2962271263107395,0.20794710780618186
EOS-3-32892,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ncn2)ccn1,PVGDBGHQFZVXDT-UHFFFAOYSA-N,3,1,0.386,18,194,445.874,3.017,5,0.388,0.59,0.639,0.5894472620108286,0.5087553971626345,0.15955897471043795,0.182484065519841,0.3600614248509355
EOS-3-32893,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cn[nH]c5)cn4)n23)cn1,PKVNNUBCNZIBFV-UHFFFAOYSA-N,3,1,0.468,4,205,427.428,1.91,5,0.419,0.6,1.0,0.4918185868000822,0.30439997258584056,0.17876602014940718,0.09236858337331232,0.2668382907271606
EOS-3-32894,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c(F)c2)n1,HFZNUBGOIXGYTG-UHFFFAOYSA-N,3,1,0.517,37,563,455.906,4.062,5,0.384,0.66,1.0,0.8248834898224933,0.8130439997258584,0.46425022274004524,0.5009594955794668,0.6507843019669659
EOS-3-32895,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc(Cl)n2)nn1,WPTWXISTBJQKIY-UHFFFAOYSA-N,3,1,0.523,4,964,465.304,4.233,5,0.355,0.7,0.985,0.457550887533411,0.6260537317524502,0.5095435542457679,0.567310328284559,0.540114625454047
EOS-3-32897,CCn1cncc1-c1ccnc(-c2nnc3cncc(Oc4cncc(Cl)c4)n23)c1,BUUNJFAFKLHPFU-UHFFFAOYSA-N,3,1,0.354,18,211,418.848,3.91,5,0.427,0.69,1.0,0.47702350764169693,0.4594784456171613,0.42820917003632375,0.43585086697279146,0.4501404975669933
EOS-3-32898,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6C)cn5)n34)cc2)no1,FQYAYKHTABYFES-UHFFFAOYSA-N,3,1,0.286,38,983,447.462,3.977,6,0.395,0.63,1.0,0.09076656843259544,0.11641594133369886,0.28120930710712083,0.23106709615516413,0.17986472825714483
EOS-3-32899,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)n1,IVXWIXAXBVWDGN-UHFFFAOYSA-N,3,1,0.548,75,420,414.404,3.065,5,0.432,0.74,1.0,0.6006099650469467,0.495331025974916,0.3064303337673909,0.25466040710026727,0.4142579329723802
EOS-3-32900,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccoc5)nn4CCN(C)C)n23)nc1,ZJXRVOOUKLXUCU-UHFFFAOYSA-N,3,1,0.278,33,432,458.486,1.626,5,0.386,0.56,0.96,0.04810328284558975,0.0095007196216846,0.00555136728120074,0.0013278733465835104,0.01612081077376465
EOS-3-32901,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccn(C)n5)c4)n23)cc1,PAKUCWZGOYLYHN-UHFFFAOYSA-N,3,1,0.58,43,909,414.444,4.218,5,0.431,0.8,1.0,0.7161777808237955,0.6602186279213214,0.794873552189706,0.7167260640120622,0.7219990062367213
EOS-3-32902,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)ccc1F,OEAJNBIEAMFFDW-UHFFFAOYSA-N,3,1,0.429,18,814,446.421,3.246,5,0.366,0.65,1.0,0.7982317867178398,0.6650418065931053,0.3325166198341443,0.3089661435131245,0.5261890891645534
EOS-3-32903,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C)cn1,IXWWOIXTVZRMLK-UHFFFAOYSA-N,3,1,0.488,95,493,412.457,2.912,5,0.423,0.83,1.0,0.2555342334315674,0.10081557124254678,0.22677506682201357,0.1659584675484888,0.18727083476115414
EOS-3-32904,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ncn2)cc(C)n1,SNASQZOTWUGAQV-UHFFFAOYSA-N,3,1,0.411,31,194,425.456,2.672,5,0.405,0.59,0.771,0.5068792406277842,0.21732574874922897,0.16916249742992256,0.11127578644369818,0.25116081831265846
EOS-3-32905,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)nn1,RJLSTXIXQHRRJJ-UHFFFAOYSA-N,3,1,0.305,39,972,468.431,3.384,6,0.387,0.61,0.846,0.19850421492700981,0.27875059968473714,0.38119388664245085,0.46092625591117814,0.329843739291344
EOS-3-32906,Fc1cnn(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c(F)c2)c1,DSKFOHOPIXJCSK-UHFFFAOYSA-N,3,1,0.313,32,673,452.428,4.379,6,0.395,0.63,0.79,0.0564731683914742,0.22279144678226304,0.7614711123295183,0.7809951339867042,0.45543271537248997
EOS-3-32907,Cc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc(-c2ccc(F)nc2)n1,JJQWALSMVRRMFA-UHFFFAOYSA-N,3,1,0.477,97,525,447.861,4.323,5,0.37,0.68,1.0,0.7612826399835515,0.7718113905832362,0.7777825371804538,0.7510965663765334,0.7654932835309438
EOS-3-32908,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5nccc(F)c5F)cnn4)n23)cn1,WFYOXRLCDMAQNP-UHFFFAOYSA-N,3,1,0.43,51,875,433.382,2.599,5,0.412,0.56,0.999,0.5834332807895278,0.5597200328969913,0.4210215201151395,0.39475532862723595,0.4897325406072237
EOS-3-32909,COCc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)ccn2)c(F)n1,OUWWBKLIUCIVPI-UHFFFAOYSA-N,3,1,0.484,7,43,458.457,3.211,5,0.339,0.69,1.0,0.49182715372489894,0.47256870673702966,0.384826262764718,0.26055445137413474,0.4024441436501953
EOS-3-32910,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)cc2)cn1,NADFRHDXZVQYJE-UHFFFAOYSA-N,3,1,0.31,38,170,418.42,3.965,6,0.423,0.75,1.0,0.12379206360084984,0.12701322733191694,0.5538088547734905,0.5446508121444726,0.33731623946268247
EOS-3-32911,Clc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nc1,JKOVVQVPGGOBHQ-UHFFFAOYSA-N,3,1,0.506,2,491,465.304,3.967,5,0.371,0.66,1.0,0.7131279555890617,0.7589096018093345,0.46089198821191146,0.560782331574258,0.6234279692961414
EOS-3-32912,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)cc2)nc1,OOIKOQPQDBZUIK-UHFFFAOYSA-N,3,1,0.35,64,885,464.439,4.651,6,0.375,0.74,1.0,0.30906894661092454,0.40100918374340344,0.6411143855801521,0.716734630936879,0.5169817867178398
EOS-3-32914,COc1ncc(C)cc1COc1cncc2nnc(-c3ccc(-c4ccsc4)cc3)n12,XOADWLLDKAXCQO-UHFFFAOYSA-N,3,1,0.506,97,91,429.505,4.811,5,0.386,0.79,1.0,0.5479062435748064,0.414998971969022,0.5634295113426084,0.4262559111781235,0.4881476595161401
EOS-3-32915,Cn1ncnc1-c1cnc(OCc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1Cl,DCVJXAPLWNGLOT-UHFFFAOYSA-N,3,1,0.423,22,391,454.828,3.492,5,0.401,0.59,1.0,0.52486121581797,0.6798111849770406,0.6691025289562059,0.7057004317730108,0.6448688403810569
EOS-3-32916,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6nncn6C)c5)n34)cc2)nn1,NCFAVZATSCFEFH-UHFFFAOYSA-N,3,1,0.447,71,614,466.469,1.751,6,0.356,0.64,0.985,0.35062709889658006,0.18079638133095743,0.07115687752724283,0.05736412857240765,0.164986121581797
EOS-3-32917,Cc1nccn1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cn4)n23)c(F)c1,PYIQJKRAZKZMMA-UHFFFAOYSA-N,3,1,0.304,32,687,454.494,4.61,6,0.387,0.7,1.0,0.031252141731204164,0.11982557741073264,0.5168083064903023,0.4945771365910493,0.2906157905558221
EOS-3-32918,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,HZVJIFZSHYFNKE-UHFFFAOYSA-N,3,1,0.5,97,879,415.844,3.876,5,0.402,0.76,1.0,0.6978873963402097,0.6995151120553766,0.6691110958810226,0.662908642313755,0.6823555616475909
EOS-3-32919,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)nc5)n34)cn2)cn1,GBTDUJXBKLDPPQ-UHFFFAOYSA-N,3,1,0.314,86,790,418.42,3.965,6,0.423,0.71,0.998,0.14861901171955316,0.11642450825851552,0.46797683503529575,0.4579106983757111,0.2977327633472689
EOS-3-32920,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)c(F)n3)n12,DPCCEZGGRZSWTC-UHFFFAOYSA-N,3,1,0.385,46,223,441.789,2.877,5,0.413,0.57,1.0,0.7580529093276678,0.6995236789801933,0.5736669864985265,0.6105390309094647,0.6604456514289632
EOS-3-32921,Cn1cccc1-c1ccc(-c2nnc3cncc(Oc4cc(-c5ccnn5C)nn4C)n23)cc1,QWERAMUAEYQMTO-UHFFFAOYSA-N,3,1,0.367,67,622,451.494,3.723,6,0.397,0.68,1.0,0.35524467137276405,0.29455657597148927,0.3359005551367281,0.24545096292234939,0.30778819135083274
EOS-3-32922,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)cn2)nn1,TVPMFLAKSPZXSO-UHFFFAOYSA-N,3,1,0.326,85,60,449.4,3.409,5,0.376,0.6,1.0,0.3897693783839353,0.4639161126721952,0.5095521211705846,0.45791926530052773,0.45528921938181066
EOS-3-32923,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)cc(-c2nc(C)nn2C)n1,KKQMAUFZFWPHAN-UHFFFAOYSA-N,3,1,0.439,92,185,457.458,1.067,5,0.39,0.6,1.0,0.21773696114042904,0.13020869028853402,0.006879240627784251,0.001259337948050168,0.08902105750119937
EOS-3-32924,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cnnc(-c4cccnn4)c3)n12,BZADJXPWLRGWEW-UHFFFAOYSA-N,3,1,0.449,53,778,449.837,2.847,5,0.385,0.57,0.965,0.7101637996024946,0.7229970529778631,0.3510725789870468,0.4358594338976081,0.5550232163662532
EOS-3-32925,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5cc(F)cnc5Cl)n34)ccn2)nc1,JUFUDUFMZMSADP-UHFFFAOYSA-N,3,1,0.448,24,735,437.797,4.367,5,0.385,0.68,1.0,0.862415187444315,0.8522291138372969,0.8353180042491947,0.8514580906037968,0.8503550990336509
EOS-3-32926,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5ccco5)ncn4)n23)cn1,VAMRKYVRNVBJQW-UHFFFAOYSA-N,3,1,0.453,80,34,451.45,3.216,6,0.376,0.61,1.0,0.3783582345281338,0.24316359399629908,0.19870125419779316,0.14759954766636968,0.24195565759714893
EOS-3-32927,Cc1nn(C)cc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cs1,ZVRAHVFGYPDURY-UHFFFAOYSA-N,3,1,0.536,4,391,455.906,4.328,5,0.392,0.68,1.0,0.4646785689808786,0.7136933726269619,0.4320557192790076,0.4609348228359948,0.5178406209307107
EOS-3-32928,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cccnn6)c5)n34)cn2)c1,ZSTPBCIACHZOAK-UHFFFAOYSA-N,3,1,0.442,6,887,460.461,3.074,6,0.365,0.62,1.0,0.5582036872044411,0.4416164073744089,0.28484168322938797,0.2485093550818998,0.38329278322253446
EOS-3-32929,O=c1[nH]c(-c2cnnc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)c2)ncc1F,LTPFEEPTDQUTGO-UHFFFAOYSA-N,3,1,0.237,10,195,452.413,2.323,6,0.431,0.59,0.905,0.08341614693989445,0.17210951956685627,0.2812178740319375,0.35303440477006376,0.222444486327188
EOS-3-32930,CC(C)(CF)NC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)ccn4)n23)cc1,AOOJTJXVKJZMNM-UHFFFAOYSA-N,3,1,0.366,0,999,408.412,3.47,4,0.547,0.86,1.0,0.24503118360633266,0.2028647796586937,0.6379274895483518,0.482386402576931,0.3920524638475773
EOS-3-32931,Clc1cccc(CCOc2cncc3nnc(-c4cccc(-c5cnco5)c4)n23)n1,OJDQBDWOXOKKAH-UHFFFAOYSA-N,3,1,0.54,11,848,418.844,4.116,5,0.383,0.78,1.0,0.737440888218765,0.665050373517922,0.5569529161812076,0.5832019738194778,0.6356615379343431
EOS-3-32932,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ncc(C(F)F)cc4C(F)(F)F)n23)cc1,WOYQRPYDNJAZMM-UHFFFAOYSA-N,3,1,0.278,61,542,473.369,4.0,5,0.364,0.75,0.998,0.15692892879172093,0.3245236789801933,0.9457799328353095,0.9071088342128709,0.5835853437050237
EOS-3-32933,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccnc(C#N)c5)ccn4)n23)nn1,DZVDGXQJMSQAEN-UHFFFAOYSA-N,3,1,0.396,4,587,421.424,2.797,5,0.421,0.61,1.0,0.387584812555685,0.3198290041806593,0.35489342745528063,0.29623569323555615,0.3396357343567952
EOS-3-32934,Cc1nc(-c2nnc3cncc(OCc4ccnc(C(F)F)c4)n23)ccc1-c1cnn(C)c1,QIFXEZNEYZQJEC-UHFFFAOYSA-N,3,1,0.389,92,690,448.437,3.807,5,0.39,0.65,0.951,0.45755945445822765,0.3819477760263176,0.6910852580357755,0.517870605167569,0.5121157734219723
EOS-3-32935,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,GZLJKWQVYDQWGZ-UHFFFAOYSA-N,3,1,0.495,15,300,460.885,3.322,5,0.337,0.72,1.0,0.8417688986361456,0.6650589404427387,0.2848502501542046,0.22220889589472964,0.5034717462819547
EOS-3-32936,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ncc(Cl)cn5)cn4)n23)nc1,XGGBGLBACAASCB-UHFFFAOYSA-N,3,1,0.419,46,775,448.849,3.718,5,0.4,0.6,1.0,0.6582996367623878,0.694477760263176,0.4573624151874443,0.4703070385854294,0.5701117126996094
EOS-3-32937,Cc1cc(-c2nnc3cncc(OCc4cnnc(-c5cnccn5)c4)n23)c(Cl)cc1F,CYYHLQREQWPRNP-UHFFFAOYSA-N,3,1,0.44,55,540,448.849,3.718,5,0.4,0.6,1.0,0.787111918305805,0.8012130765540402,0.6691196628058392,0.6715698033034062,0.7322536152422727
EOS-3-32938,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5nccnc5Cl)n4)n23)cn1,SLJXLLDDOGUKBZ-UHFFFAOYSA-N,3,1,0.373,85,290,449.305,4.244,5,0.405,0.6,1.0,0.32163662531697623,0.3819563429511343,0.38483482968953464,0.5009680625042835,0.3973489651154821
EOS-3-32939,COc1cc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)ccc1-c1ncccn1,MMKRFOQASJGBKG-UHFFFAOYSA-N,3,1,0.494,16,980,463.86,4.023,5,0.372,0.67,1.0,0.9303851689397574,0.8284730313206772,0.7142759235144952,0.6485333424713865,0.780416866561579
EOS-3-32940,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnc5)n4)n23)c(F)c1,GGILJXLVOYXKCE-UHFFFAOYSA-N,3,1,0.422,89,408,482.479,3.254,6,0.375,0.79,1.0,0.4669659379069289,0.319837571105476,0.24464567198958262,0.2784250565417038,0.3274685593859228
EOS-3-32941,COc1cc(C(F)F)ccc1-c1nnc2cncc(Cc3cccc(Cl)c3F)n12,VHUMIFPLBSNSBK-UHFFFAOYSA-N,3,1,0.4,23,225,418.806,5.121,4,0.451,0.79,0.904,0.7403793434308821,0.8012216434788568,0.9901052018367487,0.987363785895415,0.8797674936604756
EOS-3-32942,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccsc5)n34)cn2)n1,OJXQXFRAYMRUEN-UHFFFAOYSA-N,3,1,0.277,70,899,438.48,3.167,6,0.412,0.59,0.959,0.06917791789459256,0.07131964909875951,0.07783051195942704,0.10664964704269755,0.08124443149886917
EOS-3-32943,Fc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)nc2F)c1,ALKVUHPXVGONIS-UHFFFAOYSA-N,3,1,0.568,19,442,449.396,3.682,5,0.365,0.65,1.0,0.814294770749092,0.7803012130765541,0.7614796792543349,0.783188266739771,0.784815982454938
EOS-3-32944,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5F)c4)n23)c1F,ZWEYEYGNLKAFOJ-UHFFFAOYSA-N,3,1,0.489,75,490,449.396,3.682,5,0.365,0.65,1.0,0.8512696182578302,0.8457867863751628,0.7589353025837845,0.7536323761222672,0.8024060208347612
EOS-3-32945,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)c(F)cn4)n23)ccc1F,OGSMLVVXLJEBBQ-UHFFFAOYSA-N,3,1,0.506,73,469,453.84,4.097,5,0.398,0.64,1.0,0.7286597902816805,0.8012302104036735,0.8353265711740113,0.8363717360016448,0.8003970769652525
EOS-3-32946,c1cncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccnc6)n5)n34)cn2)c1,NSWUXKLPPCQHPM-UHFFFAOYSA-N,3,1,0.299,70,705,418.424,2.891,6,0.429,0.63,1.0,0.025246727434720034,0.04506202453567267,0.2093585086697279,0.23989959564114866,0.1298917140703173
EOS-3-32947,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)nn1,NNXRCGFBJVDXGQ-UHFFFAOYSA-N,3,1,0.505,87,142,444.886,3.622,5,0.391,0.61,1.0,0.6676375848125556,0.7368754711808649,0.4248166678089233,0.4294685079843739,0.5646995579466795
EOS-3-32948,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c(C)c2)n(C)n1,JCWLZHCKCXKVFW-UHFFFAOYSA-N,3,1,0.37,61,336,431.45,4.808,5,0.408,0.73,0.999,0.21485847440202865,0.2891422794873552,0.8118446302515249,0.694811870331026,0.5026643136179837
EOS-3-32949,Fc1cc(COc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)cnc1Cl,JZPYEYLFEKXQER-UHFFFAOYSA-N,3,1,0.398,46,435,434.822,3.41,5,0.387,0.61,1.0,0.7040384483585772,0.6172212322664656,0.7016225755602769,0.7002604345144267,0.6807856726749366
EOS-3-32950,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5ncc(F)n5C)c(F)n4)n23)n1,NTXPMNYGUNSVNP-UHFFFAOYSA-N,3,1,0.354,46,223,435.398,2.542,5,0.388,0.62,1.0,0.5193526831608526,0.4725772736618463,0.1819786169556576,0.15819683366458775,0.3330263518607361
EOS-3-32951,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1ccccc1,YCYZOSJYPKYDOL-UHFFFAOYSA-N,3,1,0.512,1,347,427.439,4.58,5,0.369,0.76,1.0,0.8487937769858132,0.7368840381056816,0.8016499897196903,0.7300561990267973,0.7793460009594955
EOS-3-32952,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)nn4)n23)nc1,BSDMPNHAHVKJMS-UHFFFAOYSA-N,3,1,0.284,50,432,413.401,1.83,5,0.406,0.78,0.973,0.06519429785484203,0.013570008909601809,0.10150949215269686,0.05049345486944007,0.05769181344664519
EOS-3-32953,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-n6ccccc6=O)cc5)n34)cn2)cn1,ACXIPIZVKIQCRL-UHFFFAOYSA-N,3,1,0.272,69,20,473.496,4.075,6,0.372,0.76,1.0,0.1323418545678843,0.08847063258172846,0.6082602289082311,0.5178791720923858,0.3367379720375574
EOS-3-32954,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4Cl)n23)cc1-c1ccccn1,YZJQWAXNJHQHQG-UHFFFAOYSA-N,3,1,0.452,95,493,450.865,3.396,5,0.366,0.65,0.999,0.5068878075526009,0.45948701254197793,0.34709752587211296,0.40377630045918717,0.42931216160646973
EOS-3-32955,Cc1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)cc(-c5nc(C)n[nH]5)n4)n23)cc1,JJEWHJKXYSVDDL-UHFFFAOYSA-N,3,1,0.34,66,225,450.428,4.198,5,0.441,0.6,1.0,0.4004351997806867,0.40101775066822015,0.8705708998697828,0.7690528407922692,0.6102691727777396
EOS-3-32956,FC(F)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cscn5)c4)n23)cc1,LKWQQBSKTJNBBV-UHFFFAOYSA-N,3,1,0.512,72,805,437.435,4.221,5,0.393,0.66,0.999,0.8576262764717977,0.6747309985607566,0.7867521074635049,0.730064765951614,0.7622935371119182
EOS-3-32957,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cn(C)nn6)n5)n34)cn2)n(C)n1,YJMQYNLONUUFPY-UHFFFAOYSA-N,3,1,0.291,76,14,449.482,2.753,6,0.403,0.57,1.0,0.040847097525872116,0.0377630045918717,0.0847354533616613,0.06666780892330888,0.05750334110067849
EOS-3-32958,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)cn1,UOALCMBUMKHMOA-UHFFFAOYSA-N,3,1,0.472,18,181,414.404,2.799,5,0.418,0.72,1.0,0.5427232540607224,0.47258584058666303,0.269729627852786,0.2754180659310534,0.3901141971078062
EOS-3-32959,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5ncc(F)cn5)c4)n23)c1,BEOUQLJPBWHZHK-UHFFFAOYSA-N,3,1,0.54,35,921,461.888,4.366,5,0.347,0.73,1.0,0.910021588650538,0.8583630320060311,0.605347474470564,0.6105475978342814,0.7460699232403536
EOS-3-32960,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)n(C)n1,CRCHZWKKUIRFPK-UHFFFAOYSA-N,3,1,0.518,16,256,422.449,3.07,5,0.429,0.61,1.0,0.5479148104996231,0.559728599821808,0.14409567541635254,0.14526077719141936,0.3492499657323007
EOS-3-32961,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)n(C)n1,CEPICNSFKBEGOG-UHFFFAOYSA-N,3,1,0.552,37,619,464.892,3.704,5,0.378,0.65,1.0,0.6949746419025427,0.7630731272702351,0.38858714275923517,0.42947707490919057,0.5690279967103009
EOS-3-32962,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)n1,PZIXPWKVNCKPFI-UHFFFAOYSA-N,3,1,0.39,18,531,462.876,3.761,5,0.351,0.68,1.0,0.6800167911726407,0.6455092180111027,0.3848433966143513,0.43867795216229183,0.5372618394900966
EOS-3-32963,Cc1ccc(-c2ccnc(-c3nnc4cncc(COc5ccncc5F)n34)c2)nn1,KTLMVYNMPNRLFI-UHFFFAOYSA-N,3,1,0.343,85,920,414.404,3.065,5,0.432,0.72,1.0,0.4694246453293126,0.39581762730450276,0.42103008703995615,0.3629977383318484,0.41231752450140496
EOS-3-32964,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncnc4-c4ncccn4)n23)cc1,VIRCYQDTUIRMJV-UHFFFAOYSA-N,3,1,0.456,56,8,463.465,2.413,6,0.362,0.61,1.0,0.5863974367760949,0.28915084641217187,0.0963350695634295,0.08484682338427799,0.2641825440339936
EOS-3-32965,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cc1)N1CCCC(F)C1,QSRYXEQTXNLADK-UHFFFAOYSA-N,3,1,0.33,52,376,479.519,4.489,6,0.377,0.8,1.0,0.04811184977040642,0.024107326434103214,0.09898224933177986,0.2695068878075526,0.11017707833596052
EOS-3-32966,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccnc(Cl)c5)c4)n23)n(C)n1,FFVQYHDIRJLDPX-UHFFFAOYSA-N,3,1,0.461,75,43,432.875,3.523,5,0.392,0.66,1.0,0.3528544993489137,0.39119148790350217,0.3696542389143993,0.34661777808237954,0.3650795010622987
EOS-3-32967,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)c2)cn1,UCPCZEGJOASUBR-UHFFFAOYSA-N,3,1,0.463,65,858,427.472,2.615,5,0.407,0.63,1.0,0.2397539579192653,0.12338085120964978,0.10151805907751353,0.05886334041532452,0.13087905215543827
EOS-3-32968,CCc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnccn6)n5)n34)cc2)nc1,DBQFUVQJICFQBK-UHFFFAOYSA-N,3,1,0.338,38,983,457.501,4.33,6,0.376,0.66,1.0,0.1873757795901583,0.14108868480570214,0.31779864299910904,0.27843362346652045,0.23117418271537246
EOS-3-32969,Cc1nc(-c2cocn2)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,MJFLXOVDLWZLIU-UHFFFAOYSA-N,3,1,0.429,24,379,438.81,3.311,5,0.381,0.67,0.999,0.6917706120211089,0.6506408059762867,0.27364471249400313,0.29028168048797204,0.4765844527448427
EOS-3-32970,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)cc1Cl,KFBVDKYHGVLWAD-UHFFFAOYSA-N,3,1,0.494,16,610,450.865,3.836,5,0.363,0.69,1.0,0.5479233774244398,0.6404632992940854,0.47467617024193,0.5178877390172024,0.5452376464944144
EOS-3-32971,c1ccc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5nc[nH]n5)c4)n23)nc1,OIGFJBWSALMZAD-UHFFFAOYSA-N,3,1,0.288,32,371,417.436,3.7,6,0.466,0.67,1.0,0.10285449934891372,0.12338941813446645,0.31013124528819136,0.3530429716948804,0.222354533616613
EOS-3-32972,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)cn1,NEPXAYURCKJFOG-UHFFFAOYSA-N,3,1,0.305,76,14,443.521,3.834,6,0.408,0.63,0.988,0.03126070865602083,0.07132821602357618,0.16572716057843875,0.18249263244465766,0.11270217942567334
EOS-3-32973,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)c1,GQIOKNUEHYPIHQ-UHFFFAOYSA-N,3,1,0.505,35,76,449.396,3.682,5,0.365,0.64,1.0,0.9004437667055034,0.934959906791858,0.8118531971763416,0.7924576793914057,0.8599286375162771
EOS-3-32974,CCc1ccnc(-c2cc(-c3nnc4cncc(Oc5cncc(Cl)c5)n34)ccn2)c1,NPZOWKPIXMZHCC-UHFFFAOYSA-N,3,1,0.424,75,583,429.871,4.651,5,0.401,0.72,1.0,0.7161863477486121,0.7043982592008773,0.6112072510451648,0.5892245219655953,0.6552540949900624
EOS-3-32976,COc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)n1,GKZUBEFCSHVXLY-UHFFFAOYSA-N,3,1,0.44,24,28,430.403,2.765,5,0.375,0.64,1.0,0.6978959632650263,0.7183195120279624,0.21616064697416215,0.1553697484750874,0.44693646768555956
EOS-3-32977,Cc1ccccc1-c1nccnc1-c1nnc2cncc(OCc3ccc(C#N)nc3)n12,ODNUZVZDAVHTOX-UHFFFAOYSA-N,3,1,0.512,89,348,420.436,3.402,5,0.425,0.65,0.996,0.535098690973888,0.36764101158248236,0.41726920704543896,0.3791206908368172,0.4247824001096566
EOS-3-32978,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5n[nH]nc5C#N)cc4)n23)c(F)c(C)n1,YASRZVKAHFNPIV-UHFFFAOYSA-N,3,1,0.526,15,320,455.457,3.221,5,0.413,0.6,1.0,0.8904290315948187,0.805445137413474,0.4210386539647728,0.3434394489753958,0.6150880679871154
EOS-3-32979,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)nc2)cn1,XZOIFADMPOCKKY-UHFFFAOYSA-N,3,1,0.321,38,714,465.908,4.364,6,0.381,0.71,1.0,0.132350421492701,0.207525186758961,0.602177712288397,0.6075063395243643,0.3873899150161058
EOS-3-32980,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)ccn1,SNXJLBNSIXPXFB-UHFFFAOYSA-N,3,1,0.302,39,114,433.439,2.501,6,0.412,0.58,1.0,0.039442121855938594,0.007367555342334316,0.05343191008155712,0.07220204235487629,0.04311090740867658
EOS-3-32981,Fc1ccccc1-c1cc(-c2nnc3cncc(Oc4cccnn4)n23)cc(Cl)n1,YOYYICUOXNGTJP-UHFFFAOYSA-N,3,1,0.391,13,616,419.807,4.228,5,0.402,0.75,1.0,0.7194332122541293,0.7803097800013707,0.7274775546569804,0.7787334658351038,0.751488503186896
EOS-3-32982,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nn2C)cn1,XEXGEPIDNSTAHH-UHFFFAOYSA-N,3,1,0.438,31,477,431.435,2.446,5,0.403,0.62,0.999,0.4091477623192379,0.28389932149955455,0.13193064217668427,0.12290967034473306,0.23697184908505245
EOS-3-32983,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C(F)(F)F)nn5)ncn4)n23)cn1,QUHPHITUECNMCP-UHFFFAOYSA-N,3,1,0.462,27,52,465.399,3.34,5,0.385,0.64,1.0,0.5952727708861627,0.6944863271879926,0.7638698512781852,0.5577325063395243,0.6528403639229662
EOS-3-32984,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5nccs5)s4)n23)cc1,WCDSAQUNQDSQRM-UHFFFAOYSA-N,3,1,0.324,38,725,443.521,3.834,6,0.408,0.61,1.0,0.0652028647796587,0.09755157288739634,0.06916078404495922,0.08146288808169419,0.07834452744842713
EOS-3-32986,CC#Cc1cncc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,CFPBXCTYAYNWOX-UHFFFAOYSA-N,3,1,0.528,4,32,453.893,4.247,5,0.367,0.68,1.0,0.7673908573778356,0.9161126721951888,0.6910938249605921,0.656903228017271,0.757875145637722
EOS-3-32987,COc1ncc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cncc(C)n1,UFEMDAJFDHTWDZ-UHFFFAOYSA-N,3,1,0.506,65,657,440.467,2.977,5,0.377,0.63,1.0,0.44820437255842643,0.19825577410732642,0.2197159207730793,0.12291823726954972,0.2472735761770955
EOS-3-32988,Clc1ncccc1-c1noc(-c2cncc3nnc(-c4ccc(-c5ccno5)cc4)n23)n1,BEOYGURXGPNYEZ-UHFFFAOYSA-N,3,1,0.347,42,983,442.826,4.212,6,0.369,0.68,1.0,0.3367486806935782,0.4330751833321911,0.34321670893016243,0.4386865190871085,0.3879317730107601
EOS-3-32989,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cc4Cl)n23)cc1,QWWDYVZNBYYPQB-UHFFFAOYSA-N,3,1,0.623,97,232,449.301,5.134,5,0.37,0.79,1.0,0.9336577342197245,0.9502004660407101,0.8798317455966006,0.9138253032691385,0.9193788122815434
EOS-3-32990,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4F)n23)c1,WDZZZKXHQWJDIX-UHFFFAOYSA-N,3,1,0.275,64,27,463.48,4.158,6,0.387,0.66,1.0,0.2039870468096772,0.24828661503666644,0.4068089918442876,0.45160544171064354,0.3276720238503187
EOS-3-32991,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C(F)F)nc4)n23)cc1,GSKHJRPHQRLSRZ-UHFFFAOYSA-N,3,1,0.288,98,42,470.447,3.907,6,0.376,0.68,1.0,0.2148670413268453,0.18080494825577412,0.4712922349393462,0.4167037900075389,0.3209170036323761
EOS-3-32992,Cc1nc(-c2ccnn2C)c(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)n1C,MMGNPACEJXWUIM-UHFFFAOYSA-N,3,1,0.511,36,391,469.336,4.12,5,0.385,0.75,1.0,0.4918357206497156,0.6455177849359194,0.3138749914330752,0.4008549790967034,0.4630208690288534
EOS-3-32993,CCc1ncc(-c2cnn(C)c2)cc1-c1cncc2nnc(-c3ccc(COC)nc3)n12,DRBAKRZGEMVWPR-UHFFFAOYSA-N,3,1,0.322,82,974,426.484,3.358,5,0.411,0.67,0.999,0.11575628812281544,0.09143478856829552,0.29930265231992326,0.19061407717085874,0.17427695154547326
EOS-3-32994,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)n1,HWRJVWKSVNGJPP-UHFFFAOYSA-N,3,1,0.541,27,69,453.388,2.975,5,0.4,0.56,1.0,0.5555393735864574,0.5787214721403605,0.7546775409499006,0.5412925776163389,0.6075577410732644
EOS-3-32995,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)c1F,GNDYCSAAWPLSBX-UHFFFAOYSA-N,3,1,0.282,64,449,465.427,4.046,6,0.384,0.64,0.996,0.2637584812555685,0.33854773490507845,0.6526283325337536,0.7029675827564937,0.4894755328627236
EOS-3-32997,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cc1F,SIWVFKCTGAPPMV-UHFFFAOYSA-N,3,1,0.477,59,153,450.836,4.759,5,0.384,0.72,1.0,0.82489205674731,0.7968268110479062,0.9357223631005415,0.9466623260914262,0.8760258892467959
EOS-3-32998,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)ccn2)c1,NMPLAFJDBZNAPY-UHFFFAOYSA-N,3,1,0.556,24,910,450.836,4.759,5,0.384,0.72,1.0,0.8688575149064491,0.8671012953190322,0.9289116578712905,0.9368103625522582,0.9004202076622576
EOS-3-32999,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)[nH]n2)nc1,WOUKAWMWIIVSHZ-UHFFFAOYSA-N,3,1,0.467,73,963,454.828,3.525,5,0.418,0.62,1.0,0.6345349873209513,0.5406586251799054,0.6379360564731684,0.7115602083476116,0.6311724693304092
EOS-3-33000,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)n4)n23)ccc1F,CHZZJPQCTPXVCW-UHFFFAOYSA-N,3,1,0.411,46,223,434.41,3.147,5,0.392,0.63,0.997,0.47188335275169624,0.4505260091837434,0.5095606880954012,0.42626447810294016,0.4645586320334453
EOS-3-33001,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccnc(-c4nnco4)c3)n12,LPYOXKJLINUBMZ-UHFFFAOYSA-N,3,1,0.529,75,265,438.81,3.045,5,0.394,0.6,0.995,0.7982403536426564,0.645526351860736,0.4642587896648619,0.5009766294291002,0.6022505311493386
EOS-3-33002,Cc1csc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)n1,DTWXZSIFMJRBMO-UHFFFAOYSA-N,3,1,0.423,31,238,434.46,3.169,5,0.376,0.67,0.996,0.5193612500856692,0.4770577753409636,0.13818449729285176,0.1427506682201357,0.3193385477349051
EOS-3-33003,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3cc(-c4nc[nH]n4)ccn3)n12,GNAFPVUKUPQYCG-UHFFFAOYSA-N,3,1,0.424,47,577,440.801,3.482,5,0.417,0.6,1.0,0.7436690425604825,0.6896374477417586,0.7823572750325544,0.805676444383524,0.7553350524295799
EOS-3-33004,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cnn1,XLWUPOYUVJJCDZ-UHFFFAOYSA-N,3,1,0.389,53,105,421.812,1.399,5,0.409,0.62,1.0,0.45535775478034407,0.4857874717291481,0.03590398190665479,0.07221060927969296,0.26231495442395997
EOS-3-33005,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)ncn1,GJCKNHKBBAJOME-UHFFFAOYSA-N,3,1,0.435,31,481,445.874,3.017,5,0.363,0.63,1.0,0.6647847988486053,0.554571311082174,0.26603728325680215,0.2575988623123843,0.43574806387499143
EOS-3-33006,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)c2)nc1,QMLXHWDXBKQLCV-UHFFFAOYSA-N,3,1,0.404,65,65,450.825,2.242,5,0.355,0.61,1.0,0.6462631073949695,0.6650675073675554,0.13193920910150092,0.18250119936947434,0.406442755808375
EOS-3-33007,Fc1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1-c1cnncn1,NCRUVJGJARWBFU-UHFFFAOYSA-N,3,1,0.511,16,772,452.812,3.549,5,0.373,0.61,0.999,0.9291857994654239,0.8726954972243164,0.854550750462614,0.8582088273593311,0.8786602186279213
EOS-3-33008,Fc1ccccc1CCOc1cncc2nnc(-c3cnc(F)c(-c4ccnnc4)c3)n12,BKEGSFSHLKEFOP-UHFFFAOYSA-N,3,1,0.646,84,73,431.406,3.543,5,0.38,0.66,1.0,0.8442533068329793,0.8207884997601261,0.7927146871359056,0.7810037009115208,0.809690048660133
EOS-3-33009,OCc1cc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)co1,WWIWSOXJXAFHPN-UHFFFAOYSA-N,3,1,0.506,7,420,419.376,2.447,5,0.442,0.65,1.0,0.7466588993214995,0.5406671921047221,0.4432098553903091,0.35305153861969707,0.5208968713590569
EOS-3-33010,FCc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)cn5)nc4)n23)cn1,WRYWXZUVKSKQSR-UHFFFAOYSA-N,3,1,0.506,55,283,448.849,3.74,5,0.387,0.62,1.0,0.6979045301898431,0.7461191830580495,0.5266945377287369,0.5045490370776506,0.61881682201357
EOS-3-33011,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)c2)nn1,REESEXOAILJUKT-UHFFFAOYSA-N,3,1,0.468,19,159,461.888,4.366,5,0.371,0.68,0.999,0.6830066479336577,0.7368926050304982,0.6827839078884244,0.6974504831745597,0.700033411006785
EOS-3-33012,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cc1,YNTZPPHUFINNLY-UHFFFAOYSA-N,3,1,0.54,11,275,446.873,4.662,5,0.353,0.74,1.0,0.9326468370913576,0.9392776368994585,0.7685987937769858,0.8144404084709752,0.8637409190596943
EOS-3-33013,Fc1cc(-c2nnc3cncc(OCc4ccccc4-n4cncn4)n23)ccc1-c1ccnnc1,YBQVZOQHDXYCKD-UHFFFAOYSA-N,3,1,0.468,77,807,465.452,3.547,6,0.367,0.68,1.0,0.5193698170104859,0.3958261942293194,0.6613922966212048,0.6279727229113837,0.5511402576930985
EOS-3-33014,COc1ncc(F)cc1COc1cncc2nnc(-c3ccc(-c4ncnn4C)c(C)n3)n12,LSAJOBKECFBYEY-UHFFFAOYSA-N,3,1,0.392,31,45,447.434,2.412,5,0.387,0.6,1.0,0.4669745048317456,0.35311150709341377,0.11497669796449866,0.06504866013295868,0.2500278425056542
EOS-3-33015,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2F)c1,AXXMEVCOGGUZFX-UHFFFAOYSA-N,3,1,0.542,59,607,452.852,4.702,5,0.386,0.71,1.0,0.9186142142416558,0.8809625796724008,0.9418734151189089,0.9411023918854088,0.9206381502295936
EOS-3-33016,Cn1nccc1-c1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5(F)CC5)c(F)c4)n23)ncn1,WZHBBMBTLBOJEA-UHFFFAOYSA-N,3,1,0.3,74,768,473.447,2.977,6,0.39,0.63,1.0,0.18180727845932423,0.17211808649167296,0.26257624563086834,0.32746213419231035,0.23599093619354394
EOS-3-33017,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nc2F)n1,JIOOSIVGGNDQPM-UHFFFAOYSA-N,3,1,0.36,7,94,450.825,2.508,5,0.368,0.62,0.91,0.6462716743197862,0.6076776780206977,0.16269446919333835,0.17395997532725652,0.39765094921526967
EOS-3-33018,Cc1cc(-c2nnc3cncc(CCc4nccc(-c5ccccc5)n4)n23)ccc1Cl,DIRAQPOOCHEBBT-UHFFFAOYSA-N,3,1,0.391,14,886,426.911,4.995,5,0.395,0.81,1.0,0.38515180590775133,0.5639692276060585,0.516816873415119,0.6279812898362004,0.5234797991912823
EOS-3-33019,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6c[nH]nn6)n5)n34)cn2)nn1,OEQQZCCGYPLVHZ-UHFFFAOYSA-N,3,1,0.295,76,14,437.402,2.63,6,0.441,0.53,0.64,0.17304331437187306,0.23775786443698171,0.24465423891439927,0.2812778425056542,0.23418331505722706
EOS-3-33020,Cc1cnc(-c2cc(F)c(-c3nnc4cncc(OCCc5cnccc5F)n34)nc2C)nc1,CVCUHSKMCGUPIO-UHFFFAOYSA-N,3,1,0.441,65,262,460.448,3.555,5,0.379,0.62,0.999,0.7786477965869372,0.6360427660886848,0.3286615036666438,0.31814131999177575,0.5153733465835104
EOS-3-33021,Clc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ccsc4)ccn3)n12,DUTCYQDBJLLVDJ-UHFFFAOYSA-N,3,1,0.667,11,159,433.924,5.19,5,0.368,0.82,1.0,0.5923428825988624,0.6360513330135015,0.729987663628264,0.790204578164622,0.6871466143513124
EOS-3-33022,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)cn1,PETVVXWCZPCAPL-UHFFFAOYSA-N,3,1,0.511,59,521,446.873,4.928,5,0.381,0.75,1.0,0.8372883969570283,0.8614471249400315,0.8705794667945994,0.8631005414296484,0.858103882530327
EOS-3-33023,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)cn1,JLJBXNGSZMQWGN-UHFFFAOYSA-N,3,1,0.446,18,194,432.394,2.938,5,0.377,0.6,1.0,0.7815177164005209,0.6260622986772668,0.5925484887944623,0.5673188952093756,0.6418618497704064
EOS-3-33024,Clc1ccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)n2)cn1,NXTCHNFEJQQBEG-UHFFFAOYSA-N,3,1,0.307,70,887,464.88,3.816,6,0.358,0.66,0.719,0.28509012404907136,0.33855630182989516,0.3432252758549791,0.40705743266397093,0.34348228359947913
EOS-3-33025,Cc1c(F)ccc(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)cnn4)n23)c1F,MABVTULDFFDJLD-UHFFFAOYSA-N,3,1,0.396,59,87,449.396,3.948,5,0.375,0.7,1.0,0.6261565348502501,0.6455349187855527,0.8965201151394695,0.8740662051949832,0.760569443492564
EOS-3-33026,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)nc2)cn1,WMFYKYGIPCZJAP-UHFFFAOYSA-N,3,1,0.279,42,664,469.871,4.289,6,0.355,0.74,0.993,0.013235898841751765,0.1447467617024193,0.6554125830991707,0.7142245219655953,0.3819049414022343
EOS-3-33027,Cc1nn(C)cc1COc1cncc2nnc(-c3cc(F)c(-c4cnc(Cl)cn4)cn3)n12,PXHSAJPHEBHWRE-UHFFFAOYSA-N,3,1,0.398,7,62,451.853,3.057,5,0.401,0.59,1.0,0.39417277773970255,0.41031286409430473,0.32498629292029335,0.327470701117127,0.3642356589678569
EOS-3-33028,Cc1cc(C(=O)NC2(F)CC2)ccc1-c1nnc2cncc(-c3ccc(-c4ncnn4C)s3)n12,JLYIXNSAKLHJLR-UHFFFAOYSA-N,3,1,0.289,74,295,474.525,3.813,6,0.389,0.72,0.88,0.1157648550476321,0.18495133986704132,0.09188026865876225,0.12922349393461724,0.13045498937701322
EOS-3-33029,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)c(Cl)c4)n23)c1Cl,DYXGWRPOVGQBJW-UHFFFAOYSA-N,3,1,0.483,16,610,467.32,4.176,5,0.383,0.69,1.0,0.49934891371393325,0.6026317593036804,0.5736755534233432,0.6137430607908985,0.5723498218079638
EOS-3-33030,Cn1nc(-c2nnc3cncc(OCCc4cncnn4)n23)cc1-c1ccc(Cl)cn1,KQTHPVLPXLTZFZ-UHFFFAOYSA-N,3,1,0.4,31,569,434.851,2.047,5,0.395,0.59,1.0,0.40260263175930366,0.37232711945719965,0.06298403125214173,0.10665821396751422,0.2361429991090398
EOS-3-33031,Cc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)c1,FUYQMQJWOODZGP-UHFFFAOYSA-N,3,1,0.43,18,840,461.888,4.366,5,0.371,0.69,1.0,0.7495887876088,0.7090415324515112,0.735247755465698,0.7381519429785485,0.7330075046261394
EOS-3-33032,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(F)c1,DNFODIMNNSKANU-UHFFFAOYSA-N,3,1,0.329,69,484,447.477,5.06,6,0.378,0.77,1.0,0.2987800699061065,0.3288071413885272,0.8336645877595779,0.8204715235419094,0.5704308306490302
EOS-3-33033,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(F)c5)n34)c2)cn1,WXVLDSPDSLMQFB-UHFFFAOYSA-N,3,1,0.472,46,160,413.416,3.67,5,0.434,0.77,1.0,0.6800253580974573,0.5177763689945857,0.6498954835172367,0.5861318621067781,0.6084572681790146
EOS-3-33034,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cc(Cl)n2)nc1,PZRPWLRUTGITPC-UHFFFAOYSA-N,3,1,0.561,75,393,443.898,4.227,5,0.363,0.67,1.0,0.7554314303337674,0.7547889109725173,0.5368292097868549,0.5146665752861352,0.6404290315948187
EOS-3-33035,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ncc(Cl)cn3)n12,FFCWFXGXVLDODX-UHFFFAOYSA-N,3,1,0.536,37,795,453.89,4.119,5,0.382,0.68,1.0,0.8195976972106093,0.8701168528544994,0.392176684257419,0.46728291412514567,0.6372935371119183
EOS-3-33036,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nnccc5F)cc4F)n23)ccc1F,SWUHLRPKPHZRPF-UHFFFAOYSA-N,3,1,0.541,43,521,448.408,4.553,5,0.393,0.68,1.0,0.9543554245767939,0.917860324857789,0.9411537934343088,0.9308649167294908,0.9360586148995956
EOS-3-33037,COc1cc(C#N)cnc1-c1cncc(COc2cncc3nnc(-c4cccs4)n23)c1,ZBRUGELRDXTPTG-UHFFFAOYSA-N,3,1,0.419,33,62,441.476,3.769,5,0.391,0.69,1.0,0.4026111986841204,0.21733431567404565,0.5267031046535535,0.41361969707353846,0.3900670790213145
EOS-3-33038,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cc1,CFHACKMGPPKDIY-UHFFFAOYSA-N,3,1,0.466,59,511,451.824,4.154,5,0.396,0.64,1.0,0.7466674662463162,0.7369011719553149,0.882453224590501,0.9105955726132547,0.8191543588513467
EOS-3-33039,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cc[nH]n6)c5)n34)cn2)nc1,GXJTUBHTZINYKX-UHFFFAOYSA-N,3,1,0.273,32,20,416.448,4.305,6,0.46,0.77,1.0,0.11303200603111507,0.13736207251045165,0.540178877390172,0.5607908984990748,0.3378409636077034
EOS-3-33040,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnco1,BLOMPABKADDYPL-UHFFFAOYSA-N,3,1,0.524,13,209,437.818,5.04,5,0.38,0.76,1.0,0.8712391200054829,0.7718199575080529,0.9085652114317044,0.8727983003221164,0.8561056473168391
EOS-3-33041,Cc1nc(-c2cncn2CF)cc(-c2nnc3cncc(OCc4nnccc4F)n23)n1,SIPFCLWPJXWTAA-UHFFFAOYSA-N,3,1,0.353,31,330,436.386,2.188,5,0.394,0.59,0.999,0.34845109999314644,0.2326519772462477,0.14129429100130217,0.14275923514495237,0.21628915084641218
EOS-3-33042,Cc1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)cn2)o1,LKRSCZVQICSWIK-UHFFFAOYSA-N,3,1,0.541,4,212,422.355,2.797,5,0.421,0.63,1.0,0.6203224590500994,0.6506493729011035,0.32144815297100954,0.3466263450071962,0.4847615824823522
EOS-3-33043,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)nn1,IRYCGRFRXFTBLV-UHFFFAOYSA-N,3,1,0.382,53,354,444.39,1.25,5,0.377,0.58,0.821,0.42060174079912277,0.25800150777876774,0.09899081625659653,0.0830820368720444,0.21516902542663288
EOS-3-33044,COc1cc(-c2nnc3cncc(OCc4ncc(-c5cn(C)nn5)cc4F)n23)ccc1Cl,VJZMFGGKEFLJGF-UHFFFAOYSA-N,3,1,0.473,36,67,466.864,3.362,5,0.375,0.66,1.0,0.49184428757453225,0.6260708656020835,0.5862003975053115,0.5313635117538208,0.5588697656089371
EOS-3-33045,Cc1ccc(Oc2cncc3nnc(-c4cc(-c5nc(C)nn5CCO)n(C)n4)n23)cc1,DZWFBHXFAGYCJT-UHFFFAOYSA-N,3,1,0.409,31,105,431.46,2.185,5,0.434,0.65,1.0,0.1077033787951477,0.02888767048180385,0.013484339661435132,0.012070797066684943,0.04053654650126791
EOS-3-33046,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)cc1,GYYPNUPEABTECR-UHFFFAOYSA-N,3,1,0.301,38,787,444.502,4.624,6,0.394,0.71,1.0,0.07311013638544309,0.07133678294839285,0.5267116715783702,0.46094338976081145,0.28302549516825437
EOS-3-33047,c1ccc(-c2ccncc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,RATYGLVAPHVHBV-UHFFFAOYSA-N,3,1,0.32,69,834,416.448,4.305,6,0.46,0.74,1.0,0.17037043382907271,0.1164330751833322,0.5703173188952094,0.6165101775066822,0.3684077513535742
EOS-3-33048,COc1nc(-c2cnc(C)nc2)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,JNRXROIBDZGTIN-UHFFFAOYSA-N,3,1,0.478,65,282,458.457,3.116,5,0.363,0.64,0.982,0.7466760331711328,0.5733243095058598,0.32499485984511,0.21658899321499556,0.46539604893427455
EOS-3-33049,COCc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)nc(C)n4)n23)n1,CHTTYTGUGACOFM-UHFFFAOYSA-N,3,1,0.38,46,330,459.445,2.606,5,0.358,0.61,1.0,0.43193578233157426,0.3335532177369611,0.12080220683983277,0.09237715029812898,0.24466708930162429
EOS-3-33050,Clc1ccnc(COc2cncc3nnc(-c4cccc(-c5ccncn5)c4)n23)c1,NBIXMJHPGUIXFB-UHFFFAOYSA-N,3,1,0.565,4,666,415.844,3.876,5,0.43,0.69,1.0,0.5168682749640189,0.6260794325269001,0.6440871084915358,0.6629172092385717,0.6124880063052567
EOS-3-33051,N#Cc1ccc(-c2nnc3cncc(CCc4nc(-c5cccnc5)no4)n23)c(F)c1,XPRYKOUCLOSPEE-UHFFFAOYSA-N,3,1,0.411,85,580,412.388,3.032,5,0.432,0.81,1.0,0.37836680145295043,0.55021074635049,0.31388355835789183,0.41996778836268933,0.4156072236310054
EOS-3-33052,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)ccn2)cn1,DNJWJNKVQINLHG-UHFFFAOYSA-N,3,1,0.575,75,454,446.496,2.868,5,0.355,0.69,0.999,0.4530018504557604,0.22280001370707972,0.0734528133781098,0.05308923308889041,0.2005859776574601
EOS-3-33053,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1F,JLUKWERVIKHRKI-UHFFFAOYSA-N,3,1,0.463,26,606,447.449,4.235,5,0.387,0.66,1.0,0.6523027893907203,0.5361438558015215,0.7546861078747172,0.6629257761633884,0.6515146323075869
EOS-3-33054,Fc1cc(F)cc(-c2cnnc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)c2)c1,ABNXPDOUAQHOIR-UHFFFAOYSA-N,3,1,0.446,54,207,466.839,3.591,5,0.374,0.63,1.0,0.5804519909533274,0.684574395175108,0.6379446233979851,0.7511051333013501,0.6635190357069427
EOS-3-33055,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)nc1,NZCSMECHUFLZLU-UHFFFAOYSA-N,3,1,0.382,13,724,439.813,4.311,5,0.415,0.62,1.0,0.664793365773422,0.6217702693441163,0.8606161332328147,0.8531629086423137,0.7500856692481667
EOS-3-33056,COc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n(C)n2)nn1,ZOMVDEZYZKNSOZ-UHFFFAOYSA-N,3,1,0.535,36,391,467.852,2.757,5,0.371,0.65,0.996,0.5695291618120759,0.7760434514426702,0.25895243643341787,0.2784421903913371,0.47074181001987525
EOS-3-33057,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,AAZOZFAJHRUHHF-UHFFFAOYSA-N,3,1,0.407,13,110,436.809,4.972,5,0.37,0.77,1.0,0.680033925022274,0.7760520183674868,0.9344030566787745,0.9451374134740593,0.8339066033856487
EOS-3-33058,COc1ccc(-c2ncc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)cn2)nn1,HYJOEIVOHPETKN-UHFFFAOYSA-N,3,1,0.368,6,843,467.409,2.284,6,0.35,0.64,0.411,0.429828318826674,0.20753375368377766,0.06492015626070866,0.03760023302035501,0.18497061544787882
EOS-3-33059,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,ZZRFAZMGYYQDOY-UHFFFAOYSA-N,3,1,0.296,70,596,453.853,4.014,6,0.389,0.62,1.0,0.2012713316427935,0.2839078884243712,0.49880063052566653,0.5543314371873073,0.38457782194503465
EOS-3-33060,FC(F)c1ccc(-c2nnc3cncc(OCc4ncnc(-c5cnccn5)n4)n23)nc1,HQKOCEIVSOQWAT-UHFFFAOYSA-N,3,1,0.409,7,48,434.37,2.345,5,0.392,0.57,0.79,0.5375830991707217,0.47706634226578026,0.2885597285998218,0.2605630182989514,0.3909430470838188
EOS-3-33061,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)n2)cn1,DMNYBHLJXZNFBJ-UHFFFAOYSA-N,3,1,0.286,39,972,433.439,2.501,6,0.412,0.53,0.985,0.0312692755808375,0.00879823178671784,0.0629925981769584,0.09238571722294565,0.048861455691864855
EOS-3-33062,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cnn2)cn1,UWIZSZUSCUCTAT-UHFFFAOYSA-N,3,1,0.485,65,778,445.874,3.017,5,0.388,0.58,1.0,0.6583082036872044,0.6896460146665753,0.2660458501816188,0.2870690836817216,0.47526728805428
EOS-3-33063,COCc1cc(-c2cncc3nnc(-c4nccnc4-c4cncc(F)c4)n23)cnn1,IKMPSKUFNSIIBO-UHFFFAOYSA-N,3,1,0.262,50,953,415.392,2.386,5,0.426,0.7,0.86,0.35772051264478105,0.32453224590500995,0.22314269069974643,0.25760742923720104,0.29075071962168464
EOS-3-33064,Cn1nnnc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,BJDGPPGZPJSXSV-UHFFFAOYSA-N,3,1,0.389,53,105,421.812,1.399,5,0.409,0.64,1.0,0.3528630662737304,0.48133267082448083,0.03711191830580495,0.07413816736344322,0.23636145569186484
EOS-3-33065,Fc1cc(Cc2cncc3nnc(-c4ncccc4-c4cccnc4)n23)ccc1Cl,MDMXLCQQCILGOR-UHFFFAOYSA-N,3,1,0.366,14,358,416.847,4.632,5,0.427,0.79,0.976,0.3577290795695977,0.42847474470564045,0.8370485230621616,0.8906689054896855,0.6284803132067713
EOS-3-33066,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,HTHBCDGJTSFXHI-UHFFFAOYSA-N,3,1,0.417,18,466,445.874,3.017,5,0.363,0.62,0.998,0.5804605578781441,0.5839558632033446,0.27365327941881984,0.28128640943047084,0.4298390274826948
EOS-3-33067,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)o4)n23)cn1,HDGICJJURIFWGQ-UHFFFAOYSA-N,3,1,0.307,70,887,456.857,3.352,6,0.367,0.68,0.974,0.22602117743814681,0.3335617846617778,0.20208518950037693,0.24851792200671646,0.2525465184017545
EOS-3-33068,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)c2)s1,BCOMQNAATGPCRG-UHFFFAOYSA-N,3,1,0.488,15,655,449.927,4.288,5,0.382,0.67,1.0,0.6583167706120211,0.7230056199026798,0.3064389006922075,0.32118257830169283,0.5022359673771504
EOS-3-33069,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nc(C)nn6C)n5)n34)nc2)nn1,CZLRELRJQCHKKS-UHFFFAOYSA-N,3,1,0.265,99,794,462.481,2.513,6,0.384,0.58,0.998,0.04085566445068878,0.009509286546501268,0.023293468576519774,0.01697107806181893,0.022657374408882186
EOS-3-33070,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)c1,VSZSRBIJLWJPIG-UHFFFAOYSA-N,3,1,0.602,91,752,448.889,4.606,5,0.379,0.67,1.0,0.7374494551435816,0.727537523130697,0.8530515386196971,0.8531714755671305,0.7928024981152766
EOS-3-33071,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1nc(C)nn1C,XOGVEIYCMCZHDJ-UHFFFAOYSA-N,3,1,0.478,36,718,464.436,3.156,5,0.353,0.68,1.0,0.48426255911178123,0.46392467959701184,0.36966280583921596,0.2784507573161538,0.3990752004660407
EOS-3-33072,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccccn4)n23)c(F)c1,GYSYVUKYUWGDDX-UHFFFAOYSA-N,3,1,0.58,4,448,433.422,3.737,5,0.389,0.63,1.0,0.5375916660955383,0.4681995750805291,0.5893358919882119,0.5640120622301419,0.5397847988486053
EOS-3-33073,Cc1cn(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)c(=O)o1,OLJSAVLJKKLPEC-UHFFFAOYSA-N,3,1,0.529,4,32,435.831,2.866,5,0.414,0.65,1.0,0.5695377287368926,0.6896545815913919,0.30294359536700705,0.3306832979233774,0.4732048009046672
EOS-3-33074,Cc1ncc(-c2nccc(Oc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cn1,DPZASOOGCVVILP-UHFFFAOYSA-N,3,1,0.364,56,622,450.422,3.189,6,0.382,0.58,1.0,0.5777362757864437,0.4056610239188541,0.16573572750325544,0.11370879309163183,0.31571045507504625
EOS-3-33075,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4)n23)cc1,FFOINMSVHNXXPJ-UHFFFAOYSA-N,3,1,0.338,69,898,419.448,4.514,6,0.418,0.72,1.0,0.22602974436296347,0.08523233500102803,0.5956754163525461,0.5607994654238915,0.36693424028510724
EOS-3-33076,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)c(F)c1,RBFIQCPCYWRHNE-UHFFFAOYSA-N,3,1,0.439,4,633,425.387,2.628,5,0.417,0.6,0.998,0.7007830169282434,0.8319940374203276,0.579843739291344,0.5608080323487081,0.6683572064971559
EOS-3-33077,O=C(NCCO)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cn4)n23)c(Cl)c1,OTLZGOMNOMOYHP-UHFFFAOYSA-N,3,1,0.327,74,139,460.885,2.619,5,0.354,0.72,0.99,0.25836988554588447,0.27875916660955385,0.3812024535672675,0.36300630525666505,0.32033445274484273
EOS-3-33078,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)cc1,DYIGSDCVXNGGFE-UHFFFAOYSA-N,3,1,0.384,14,357,408.425,2.333,5,0.473,0.8,0.999,0.14005208690288534,0.041429648413405525,0.3471060927969296,0.2515506133918169,0.19503461037625935
EOS-3-33079,NC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5nccc(F)c5F)ns4)n23)nn1,IITQMEVJOTUVRL-UHFFFAOYSA-N,3,1,0.37,53,587,468.409,1.451,5,0.386,0.63,0.934,0.33184839969844426,0.3145346446439586,0.02330203550133644,0.033496676033171136,0.1757954389692276
EOS-3-33081,FC(F)c1cc(Cl)ccc1-c1nnc2cncc(Cc3ccnc(-c4cncnc4)c3)n12,MAIULYTYGLMQBY-UHFFFAOYSA-N,3,1,0.34,85,81,449.852,4.825,5,0.382,0.72,0.999,0.3828987046809677,0.5733328764306764,0.9319700500308409,0.9276523199232404,0.7039634877664314
EOS-3-33082,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)nn2C)cn1,IGBKXQRAQQHASM-UHFFFAOYSA-N,3,1,0.412,31,569,414.433,1.702,5,0.408,0.75,1.0,0.23976252484408198,0.08182269892399424,0.042988828730039064,0.0344904393119046,0.09976612295250496
EOS-3-33083,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cc(F)ncc5F)c4)n23)nn1,FVEVXYCQFWRGRI-UHFFFAOYSA-N,3,1,0.384,53,785,433.382,2.599,5,0.386,0.6,0.745,0.6462802412446028,0.5406757590295388,0.43206428620382425,0.41035569871838806,0.5073439962990884
EOS-3-33084,Cc1cnnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)c2)n1,QOLVTHQWXWKDGD-UHFFFAOYSA-N,3,1,0.394,46,565,433.382,2.599,5,0.386,0.6,1.0,0.6203310259749161,0.48579603865396476,0.36231238434651497,0.3306918648481941,0.44978282845589745
EOS-3-33085,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)o1)N1CCCc2ccccc21,AAWWBQYWLDMZPO-UHFFFAOYSA-N,3,1,0.322,52,776,456.893,4.693,6,0.391,0.76,1.0,0.09305393735864574,0.1721266534164896,0.10937392913439792,0.2576159961620177,0.15804262901788774
EOS-3-33086,COc1ncc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1-c1nc(C)no1,WSZKKVBDTGCVMF-UHFFFAOYSA-N,3,1,0.406,7,535,451.834,2.576,5,0.376,0.65,1.0,0.45984682338427796,0.41961654444520596,0.08210540744294428,0.05737269549722432,0.2547353676924131
EOS-3-33087,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6ccoc6)cn5)n34)c2)cn1,OBFCQSHABXWXMD-UHFFFAOYSA-N,3,1,0.417,6,119,450.462,3.821,6,0.377,0.67,1.0,0.23977109176889863,0.14109725173051882,0.47810294016859706,0.3917654718662189,0.31268418888355837
EOS-3-33088,Fc1cnc(C(F)F)nc1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,QXDHHIRNIQGTQH-UHFFFAOYSA-N,3,1,0.511,24,199,450.384,3.694,5,0.386,0.64,1.0,0.7161949146734288,0.7502912754437667,0.5502878486738401,0.47922520731958057,0.623999811527654
EOS-3-33089,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)n1,GEFRLOMKYUKFPD-UHFFFAOYSA-N,3,1,0.488,51,980,454.281,3.263,5,0.398,0.61,1.0,0.4993574806387499,0.49533959289973273,0.3737235282023165,0.4579278322253444,0.4565871084915359
EOS-3-33090,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)cn1,VAUQCEFJTUNVEE-UHFFFAOYSA-N,3,1,0.387,66,455,410.388,2.254,4,0.519,0.67,1.0,0.14295627441573572,0.16789459255705572,0.19524021657185936,0.12292680419436638,0.1572544719347543
EOS-3-33091,CC#Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)cn1,FTMYHCMLMAHHMB-UHFFFAOYSA-N,3,1,0.512,24,99,420.436,2.989,5,0.4,0.67,1.0,0.3963145089438695,0.30440853951065727,0.32500342676992666,0.2399081625659653,0.3164086594476047
EOS-3-33092,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1Cl,HGHIVUHVFZHTIZ-UHFFFAOYSA-N,3,1,0.539,37,589,466.332,4.515,5,0.366,0.72,1.0,0.7786563635117538,0.813052566650675,0.6316822013570009,0.7002690014392434,0.7309150332396683
EOS-3-33093,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cncc(F)c5)cn4)n23)nn1)N1CCCCC1,VPUYAQCJAYKMQF-UHFFFAOYSA-N,3,1,0.333,52,821,482.483,2.866,6,0.38,0.75,0.918,0.03778870536632171,0.04864299910903982,0.0013792748954835172,0.0095007196216846,0.02432792474813241
EOS-3-33094,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)ncn2)nc1,LTEMNIPVUUVNLT-UHFFFAOYSA-N,3,1,0.385,46,726,452.812,3.549,5,0.399,0.59,0.727,0.6006185319717634,0.612415187444315,0.6691282297306559,0.722071825097663,0.6510584435610993
EOS-3-33095,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cc1,FGNZNKVQCZXYDU-UHFFFAOYSA-N,3,1,0.289,10,748,470.859,3.684,6,0.383,0.65,0.992,0.011505380028784868,0.15636351175382085,0.41341409087793846,0.6251627715715167,0.3016114385580152
EOS-3-33096,Fc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1nccs1,NPGJHPLBHXODHM-UHFFFAOYSA-N,3,1,0.542,97,89,438.875,4.681,5,0.396,0.76,1.0,0.8957490919059694,0.8809711465972174,0.7753752313069701,0.8056850113083408,0.8394451202796245
EOS-3-33097,Cn1ccnc1-c1cccc(-c2nnc3cncc(CCc4cc(F)ccc4Cl)n23)c1,UFUMLNBSIHROCG-UHFFFAOYSA-N,3,1,0.39,14,358,432.89,4.77,5,0.401,0.73,1.0,0.3012387773284902,0.40566959084367077,0.782365841957371,0.8263998355150435,0.5789185114111439
EOS-3-33099,N#Cc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5F)c4)n23)ccc1F,HTYCJQPORWUWMG-UHFFFAOYSA-N,3,1,0.607,88,222,454.44,4.625,5,0.372,0.74,1.0,0.947184908505243,0.9234116921389898,0.9485470495510931,0.9459255705571928,0.9412673051881297
EOS-3-33100,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c2)cn1,MAKZRVVQFVWDAH-UHFFFAOYSA-N,3,1,0.529,2,36,416.42,3.183,5,0.419,0.72,1.0,0.25057398396271674,0.3094373243780413,0.4397145500651086,0.38522890823110134,0.34623869165924204
EOS-3-33101,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cc(Cl)ccn5)cnn4)n23)ccn1,UOOSLPRCTDZQGH-UHFFFAOYSA-N,3,1,0.452,54,873,448.849,3.452,5,0.364,0.61,1.0,0.7403879103556987,0.6747395654855733,0.5703258858200261,0.6339952710575012,0.6548621581796998
EOS-3-33103,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4F)n23)cc1,GHJYEQUIBLUCLP-UHFFFAOYSA-N,3,1,0.333,9,867,437.438,4.653,6,0.399,0.66,1.0,0.36678431910081555,0.32881570831334384,0.7402165718593654,0.7142330888904119,0.5375124220409842
EOS-3-33104,Cc1c(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(-c2cccnc2)nn1C,ZVTGPYZNGSVNLK-UHFFFAOYSA-N,3,1,0.407,14,81,415.888,4.139,5,0.441,0.8,1.0,0.2204869440065794,0.4150075388938387,0.34323384277979574,0.454715235419094,0.358360890274827
EOS-3-33105,Cc1ncc(-c2nnc3cncc(Oc4ccc(-c5ncc(C(F)F)cn5)o4)n23)cc1F,PMLXRQSPCJHIQX-UHFFFAOYSA-N,3,1,0.366,27,85,439.357,4.414,5,0.397,0.7,1.0,0.7101723665273113,0.69953224590501,0.7948821191145227,0.7002775683640601,0.726216074977726
EOS-3-33106,COCc1ncc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)cn1,WFDJSNFLNAGCSL-UHFFFAOYSA-N,3,1,0.506,97,521,460.444,4.252,5,0.359,0.71,1.0,0.755439997258584,0.7090500993763279,0.8400897813720787,0.785458501816188,0.7725095949557946
EOS-3-33107,COc1ncccc1COc1cncc2nnc(-c3ccc(-c4ccc(C)cn4)nc3OC)n12,CJFNWORAZQTZGC-UHFFFAOYSA-N,3,1,0.456,89,710,455.478,3.548,5,0.364,0.65,0.993,0.3807055719279008,0.08183126584881091,0.23415975601398123,0.09038962374066205,0.19677155438283875
EOS-3-33108,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cncs5)n4)n23)cc1F,MCJISINTAACDOB-UHFFFAOYSA-N,3,1,0.325,98,882,457.458,2.701,6,0.393,0.57,1.0,0.19031423480227538,0.30944589130285793,0.1180008224247824,0.16317421698307175,0.19523379137824687
EOS-3-33109,FC(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nn4)n23)c(Cl)n1,FYOLFCYNBKDASJ-UHFFFAOYSA-N,3,1,0.362,50,121,436.813,4.296,5,0.388,0.64,0.988,0.3216451922417929,0.45514358165992735,0.7664313617983689,0.7831968336645878,0.5816042423411693
EOS-3-33110,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)c1,VDBRDNMDKXMPOF-UHFFFAOYSA-N,3,1,0.438,7,905,430.447,3.491,5,0.407,0.65,0.987,0.389777945308752,0.3531200740182304,0.4172777739702556,0.31196456719895826,0.3680350901240491
EOS-3-33111,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)ccn1,JHIREFFNQUQYAV-UHFFFAOYSA-N,3,1,0.31,70,191,437.492,3.866,6,0.413,0.6,0.982,0.0032125968062504283,0.04507059146048934,0.31389212528270855,0.2784593242409705,0.1601586594476047
EOS-3-33112,c1ncc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nccnn6)c5)n34)cn2)nn1,LNLDECHCGUSZDL-UHFFFAOYSA-N,3,1,0.256,99,719,433.399,1.347,6,0.393,0.56,0.513,0.12651634569255021,0.0852409019258447,0.06691624974299226,0.08485539030909464,0.09088222191762046
EOS-3-33113,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccc(Cl)cn5)nn4)n23)c1,QMNXNNWYYQBZEX-UHFFFAOYSA-N,3,1,0.333,10,872,470.859,3.684,6,0.383,0.66,0.703,0.027782537180453704,0.2173428825988623,0.4357566307998081,0.5953755739839627,0.3190644061407717
EOS-3-33114,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5conn5)ccc4Cl)n23)cc1,CUWCWGKFNGYYCW-UHFFFAOYSA-N,3,1,0.632,43,372,439.262,4.727,5,0.391,0.75,1.0,0.8297495031183606,0.9034079226920705,0.8732694811870331,0.912754437667055,0.8797953361661298
EOS-3-33115,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cccnc4-c4cccs4)n23)nc1,CWIKEIOZTLYZGK-UHFFFAOYSA-N,3,1,0.284,94,935,434.488,4.434,6,0.405,0.71,1.0,0.09306250428346241,0.1563720786786375,0.2520731958056336,0.3181498869165924,0.2049144164210815
EOS-3-33116,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C(F)F)nc4)n23)cn1,FTPMDJCPLAFDMB-UHFFFAOYSA-N,3,1,0.299,99,286,472.423,2.697,6,0.372,0.64,0.997,0.1757504626139401,0.184959906791858,0.18526831608525804,0.1796569803303406,0.18140891645534918
EOS-3-33117,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncn6C)c5)n34)cc2F)s1,IJPAAALDWIEDIW-UHFFFAOYSA-N,3,1,0.345,67,642,469.509,4.22,6,0.381,0.69,1.0,0.1514803646083202,0.2685987937769858,0.29578164622027275,0.3338359262559112,0.2624241827153725
EOS-3-33118,N#Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)cc1,VGFQQDYBVCMTBP-UHFFFAOYSA-N,3,1,0.518,57,417,442.841,5.31,5,0.374,0.84,1.0,0.9552206839832773,0.9753786580768967,0.9652782537180453,0.9680282365841958,0.9659764580906037
EOS-3-33119,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccn4)n23)cn1,BHJRZPXABTXPSX-UHFFFAOYSA-N,3,1,0.483,7,48,415.392,2.46,5,0.427,0.67,1.0,0.530018504557604,0.5224025083955863,0.29579021314508946,0.2282314440408471,0.3941106675347817
EOS-3-33120,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnccn5)n4)n23)cn1,UQOTUYULKDVXRG-UHFFFAOYSA-N,3,1,0.381,80,277,464.453,1.808,6,0.355,0.61,1.0,0.2796929614145706,0.1563806456034542,0.05344047700637379,0.041412514563772186,0.13273164964704268
EOS-3-33121,CCn1ccnc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ncn1,SNJQIPAXVVPPDT-UHFFFAOYSA-N,3,1,0.381,7,395,433.863,3.092,5,0.402,0.59,0.958,0.4459855390309095,0.3245408128298266,0.18198718388047427,0.2048094715920773,0.2893307518333219
EOS-3-33122,OCc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cnn2)n1,OYYKNSAJZQQMEG-UHFFFAOYSA-N,3,1,0.455,58,778,444.43,2.291,5,0.402,0.57,1.0,0.6121667466246317,0.5087639640874512,0.3214567198958262,0.2993454869440066,0.43543322938797896
EOS-3-33123,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)nc1,DNRPDXHOFKWSPS-UHFFFAOYSA-N,3,1,0.288,99,314,455.873,2.883,6,0.398,0.56,0.951,0.013912685902268521,0.15242272633815365,0.15021245973545336,0.24545952984716607,0.1405018504557604
EOS-3-33124,Fc1ccc(-c2nnc3cncc(OCc4csc(-c5cccc(F)n5)n4)n23)c(F)c1,ARKJMLCRJJNOSO-UHFFFAOYSA-N,3,1,0.529,34,268,440.41,4.306,5,0.379,0.78,1.0,0.7345367007059146,0.8755911178123501,0.719647385374546,0.7588239325611679,0.7721497841134947
EOS-3-33125,Fc1cc(F)cc(COc2cncc3nnc(-c4cc(-c5ccsc5)cnn4)n23)c1,VOAIRHPPRPOCNE-UHFFFAOYSA-N,3,1,0.476,54,16,422.42,4.167,5,0.423,0.68,1.0,0.5952813378109794,0.48580460557878147,0.8053594681653073,0.8264084024398601,0.6782134534987321
EOS-3-33126,C#CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cncc(C)n4)n23)c1,KVCYNOSWMTZMIA-UHFFFAOYSA-N,3,1,0.36,7,211,423.44,2.36,5,0.383,0.64,1.0,0.19851278185182647,0.07823315742581043,0.2093670755945446,0.15013535741210335,0.15906209307107122
EOS-3-33127,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)c(F)c1,QGWRRKGJNFFVKK-UHFFFAOYSA-N,3,1,0.433,16,446,436.838,3.353,5,0.39,0.62,1.0,0.6091597560139812,0.6455434857103695,0.5233448701254197,0.5347731478308546,0.5782053149201563
EOS-3-33128,CCn1cnc(-c2ccccn2)c1-c1cncc2nnc(-c3ccc(-c4ccnn4C)nc3)n12,LGPOOVLVYQPACE-UHFFFAOYSA-N,3,1,0.276,76,968,448.494,3.532,6,0.397,0.64,0.994,0.08576348433966144,0.08847919950654513,0.10664108011788088,0.10451648276334727,0.09635006168185867
EOS-3-33129,COc1cc(-c2nnc3cncc(OCc4cc(F)cn(C)c4=O)n23)ccc1-c1cncn1C,CMZTWOLKDFYKGA-UHFFFAOYSA-N,3,1,0.457,16,591,461.457,2.617,5,0.383,0.64,1.0,0.5427318209855391,0.4056781577684874,0.4988091974504832,0.36301487218148176,0.4525585120964979
EOS-3-33130,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5nnco5)nc4F)n23)ccc1F,SFMIDBDQNUUCHK-UHFFFAOYSA-N,3,1,0.452,4,702,433.338,2.36,5,0.379,0.65,0.999,0.6770183674868069,0.6845829620999246,0.43207285312864097,0.4070659995887876,0.55018504557604
EOS-3-33131,CCn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccccc4Cl)n23)c(OC)c1,KVVNZNSXHDNYIK-UHFFFAOYSA-N,3,1,0.384,61,697,431.887,4.399,5,0.41,0.7,1.0,0.28247721197998765,0.34374785826879584,0.47811150709341377,0.5110856007127681,0.4038555445137413
EOS-3-33132,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)cnn4)n23)cn1,NUXQAAONWCPZIL-UHFFFAOYSA-N,3,1,0.451,92,85,415.392,2.46,5,0.427,0.68,1.0,0.5351072578987047,0.6124237543691317,0.3139006922075252,0.25762456308683435,0.42976406689054897
EOS-3-33133,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccnc5)c4)n23)cn1,FQVNOVXZHWIIIS-UHFFFAOYSA-N,3,1,0.355,82,514,408.425,2.67,5,0.487,0.82,1.0,0.2231255568501131,0.0782417243506271,0.28122644095675414,0.23107566307998081,0.2034173463093688
EOS-3-33134,CCn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,JWQLQZOGVKDMRY-UHFFFAOYSA-N,3,1,0.4,3,474,469.896,4.44,6,0.364,0.74,1.0,0.15944760468782126,0.36256082516619836,0.18199575080529093,0.3241467342882599,0.2570377287368926
EOS-3-33135,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nn5)n34)nc2)n1C,NDFNCRIDYRMHAR-UHFFFAOYSA-N,3,1,0.243,99,813,450.47,2.148,6,0.396,0.57,0.143,0.08140291960797752,0.019489753957919267,0.03591254883147146,0.025700774450003426,0.04062649921184292
EOS-3-33136,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,AKGCBVSQDOZKRY-UHFFFAOYSA-N,3,1,0.303,99,754,456.861,2.482,6,0.396,0.58,0.905,0.14862757864436982,0.2531354944829004,0.03864539784798848,0.08660304297169488,0.1317528784867384
EOS-3-33137,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)nc2)cn1,MILINOFHAQZSPP-UHFFFAOYSA-N,3,1,0.388,31,779,463.864,3.156,5,0.374,0.6,0.988,0.6616921389897882,0.6995408128298266,0.26973819477760264,0.2962442601603728,0.4818038516893976
EOS-3-33138,Cn1cnnc1-c1ccc(-c2nnc3cncc(Cc4cnc(CF)nc4)n23)cc1F,XKUSDHVCPSDPJE-UHFFFAOYSA-N,3,1,0.347,85,976,419.399,2.576,5,0.432,0.6,1.0,0.33901034884517856,0.38651394695360153,0.2520817627304503,0.27542663285587005,0.3132581728462751
EOS-3-33139,Cc1cc(-c2nnc3cncc(OCCc4ccnnc4F)n23)cc(-c2ccccc2F)n1,YICAIXZSKHELIN-UHFFFAOYSA-N,3,1,0.539,19,386,445.433,3.851,5,0.392,0.61,1.0,0.8940442738674526,0.8284815982454938,0.6379531903228017,0.6340038379823179,0.7486207251045165
EOS-3-33140,Fc1ncccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)ncn1,MSBLDMZCENLCCG-UHFFFAOYSA-N,3,1,0.337,32,392,447.437,3.906,6,0.375,0.63,0.999,0.26903570694263584,0.35813172503598106,0.5600969775889246,0.5640206291549585,0.437821259680625
EOS-3-33141,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ccn2)cn1,CQBUCWZYAWVSDN-UHFFFAOYSA-N,3,1,0.506,13,110,417.379,4.022,5,0.436,0.73,1.0,0.6979130971146598,0.660227194846138,0.7428723185525323,0.7086731546843945,0.7024214412994312
EOS-3-33142,Fc1ccc(CCOc2cncc3nnc(-c4cncnc4-c4ccncn4)n23)nc1F,OETSTHROVCOYEU-UHFFFAOYSA-N,3,1,0.484,58,194,433.382,2.333,5,0.372,0.63,1.0,0.6979216640394764,0.6602357617709547,0.33961860050716197,0.34344801590021246,0.5103060105544515
EOS-3-33143,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(Cl)nc5)nn4)n23)cn1,MSAMUGNQVWGXPB-UHFFFAOYSA-N,3,1,0.287,99,312,456.861,2.278,6,0.366,0.6,1.0,0.022076965252552944,0.1679031594818724,0.14130285792611885,0.2016482763347269,0.1332328147488178
EOS-3-33144,Cc1csc(-c2ccc(Oc3cncc4nnc(-c5cnc(CO)nc5)n34)nc2)n1,UAKRLIMBEYXFIG-UHFFFAOYSA-N,3,1,0.333,51,412,418.442,2.693,5,0.458,0.68,1.0,0.362183880474265,0.3385648687547118,0.08962716743197861,0.05589918442875745,0.2115687752724282
EOS-3-33145,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2C)cn1,SOVRFOABOJTHCN-UHFFFAOYSA-N,3,1,0.435,97,565,443.898,4.493,5,0.369,0.73,1.0,0.6037283256802138,0.5888989788225618,0.6053560413953807,0.5413011445411555,0.584821122609828
EOS-3-33146,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)nn2C)cn1,GUZVANXNGDVWPN-UHFFFAOYSA-N,3,1,0.456,92,694,419.424,2.521,5,0.39,0.71,0.999,0.18181584538414092,0.13365259406483448,0.2057689671715441,0.15537831539990404,0.1691539305051059
EOS-3-33147,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1,GDBWSSJHVVDQND-UHFFFAOYSA-N,3,1,0.276,98,727,421.428,2.434,6,0.46,0.57,1.0,0.06713898978822562,0.07134534987320951,0.17558769104242342,0.1850712768144747,0.12478582687958331
EOS-3-33148,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)ncn2)nn1,MOZDTKORIDTKFD-UHFFFAOYSA-N,3,1,0.478,36,463,445.874,3.283,5,0.401,0.58,1.0,0.5351158248235214,0.7760605852923035,0.2411932012884655,0.26371564663148517,0.4540213145089439
EOS-3-33149,Fc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5cncc(Cl)c5)c4)n23)c1,IQELWACYTDCBQZ-UHFFFAOYSA-N,3,1,0.5,2,419,447.861,4.057,5,0.387,0.64,1.0,0.7982489205674731,0.8424371187718457,0.7196559522993626,0.7690614077170859,0.7823508498389418
EOS-3-33150,Clc1ncc(-c2nnc3cncc(OCc4ccc(-c5nccs5)nc4)n23)cn1,VOPLAMQTUXGPBL-UHFFFAOYSA-N,3,1,0.5,55,434,422.861,3.332,5,0.397,0.68,1.0,0.5777448427112604,0.6360598999383181,0.25209032965526695,0.26057158522376805,0.43161666438215335
EOS-3-33151,Cc1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4-c4cnc(C)cn4)n23)nc1,OBLZNIUNBNDQAV-UHFFFAOYSA-N,3,1,0.411,7,720,445.874,3.283,5,0.375,0.64,0.949,0.5323829758070043,0.5936022205469125,0.16917106435473922,0.15014392433692003,0.361325046261394
EOS-3-33152,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c(F)c1,OQSDUZFJTFXRLM-UHFFFAOYSA-N,3,1,0.477,55,540,418.367,2.896,5,0.429,0.66,1.0,0.6830152148584744,0.6896631485162086,0.5569614831060242,0.5347817147556713,0.6161053903090946
EOS-3-33153,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1ncnn1C,WITKZABBXUJOFZ-UHFFFAOYSA-N,3,1,0.489,16,718,466.864,3.362,5,0.351,0.67,1.0,0.6404718662189021,0.5502193132753067,0.5669333835926256,0.47630388595709683,0.5584821122609828
EOS-3-33154,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(OC)o5)ncn4)n23)cc1F,OVSDNDPUECBJSX-UHFFFAOYSA-N,3,1,0.436,89,463,477.416,1.718,5,0.364,0.68,0.98,0.49936604756356656,0.3723356863820163,0.1119868412034816,0.047820574326639706,0.257877287368926
EOS-3-33155,Cn1cnc(-c2cnnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)n1,YOYQNRBCBWGBCH-UHFFFAOYSA-N,3,1,0.43,53,587,420.824,2.004,5,0.393,0.65,1.0,0.2531697621821671,0.367649578507299,0.08963573435679528,0.1182663970940991,0.20718036803509013
EOS-3-33156,Fc1cc(-c2ccon2)ccc1-c1nnc2cncc(OCc3cnc(F)c(Cl)c3)n12,BYOKAECXWQQSCU-UHFFFAOYSA-N,3,1,0.483,59,89,440.797,4.352,5,0.375,0.73,1.0,0.8417774655609622,0.7845932424097046,0.9033051195942704,0.902568364060037,0.8580610479062436
EOS-3-33157,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)n1,YVLJGZOLMVSTGU-UHFFFAOYSA-N,3,1,0.527,11,848,446.873,4.662,5,0.353,0.75,1.0,0.9506545130559935,0.9502090329655267,0.754694674799534,0.7924662463162223,0.862006116784319
EOS-3-33158,c1ccc(-c2nnccc2-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)cc1,WBYLIULFESVEEB-UHFFFAOYSA-N,3,1,0.286,64,365,429.447,3.767,6,0.417,0.59,1.0,0.11577342197244878,0.04507915838530601,0.24466280583921596,0.33384449318072784,0.18483996984442463
EOS-3-33159,Cc1cncc(-c2cc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ncn2)c1,CNAMSEPWXMDJKU-UHFFFAOYSA-N,3,1,0.337,14,357,429.434,4.48,5,0.41,0.66,1.0,0.38759337948050165,0.32454937975464326,0.8481426906997465,0.8013244465766568,0.590402474127887
EOS-3-33160,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnn(C)n5)nn4)n23)c1F,ZCWHEPFRWMQYKY-UHFFFAOYSA-N,3,1,0.441,53,44,432.423,1.841,5,0.395,0.58,0.224,0.43894352683160853,0.3288242752381605,0.09634363648824618,0.08147145500651086,0.23639572339113152
EOS-3-33161,OCC(O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)cc1,FZANLQXGPLZIPW-UHFFFAOYSA-N,3,1,0.548,89,805,441.451,2.248,5,0.39,0.63,0.984,0.7757264752244535,0.5133215680899185,0.7066684942772942,0.5800921801110274,0.6439521794256734
EOS-3-33162,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cnn2)nc1,JCNFANZKQRJEIC-UHFFFAOYSA-N,3,1,0.469,87,778,432.394,2.938,5,0.403,0.57,0.98,0.7255928311973134,0.67474813241039,0.49530532520046605,0.5313720786786376,0.6067545918717017
EOS-3-33163,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)cnn2)cc1F,FONGCFADHRKZQD-UHFFFAOYSA-N,3,1,0.534,37,361,432.394,2.938,5,0.403,0.57,1.0,0.8753255431430333,0.7887225001713385,0.6584367075594545,0.6685970803920225,0.7477704578164622
EOS-3-33164,OCc1ccnc(-c2cnnc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)c2)c1,FQZLNDCORZCCRP-UHFFFAOYSA-N,3,1,0.402,54,511,463.86,3.507,5,0.407,0.63,0.468,0.6432903844835858,0.6026403262284971,0.805368035090124,0.8166164073744089,0.7169787882941538
EOS-3-33165,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cncnc6)c5)n34)cn2)nc1,DZCCNOSTKLOGEL-UHFFFAOYSA-N,3,1,0.283,94,191,430.435,3.162,6,0.415,0.56,0.999,0.10771194571996436,0.1270217942567336,0.3359091220615448,0.3466349119320129,0.2293194434925639
EOS-3-33166,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cc1,WXRTVRMHUNHDRN-UHFFFAOYSA-N,3,1,0.306,64,449,430.435,3.162,6,0.415,0.56,1.0,0.08815365636351176,0.04865156603385649,0.17877458707422383,0.2369611404290316,0.13813523747515594
EOS-3-33167,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncs5)n4)n23)c(F)n1,RSUDAURYWVKYBF-UHFFFAOYSA-N,3,1,0.458,4,205,462.47,2.783,5,0.383,0.6,1.0,0.4770320745665136,0.4463196490987595,0.15022102666027004,0.09624940031526283,0.29245553766020144
EOS-3-33168,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)n1,GGRJAVALFUHVJI-UHFFFAOYSA-N,3,1,0.524,16,256,436.888,3.641,5,0.411,0.62,1.0,0.6261651017750668,0.7090586663011446,0.2446713727640326,0.29323726954972246,0.4682831025974916
EOS-3-33169,Cc1nnc(-c2cc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)ncn2)s1,LDJPHDFHWHSFPJ-UHFFFAOYSA-N,3,1,0.299,94,566,450.491,3.532,6,0.397,0.6,0.918,0.06169899252964156,0.09756013981221301,0.06692481666780892,0.10034439037763004,0.08163208484682338
EOS-3-33170,FC(F)c1ccc(-c2cncc(COc3cncc4nnc(-c5cccnc5)n34)n2)nn1,LSSWCBLEUPWHLM-UHFFFAOYSA-N,3,1,0.457,7,69,433.382,2.95,5,0.398,0.56,1.0,0.4918528544993489,0.4904136111301487,0.45737098211226096,0.39177403879103556,0.45785287163319854
EOS-3-33171,c1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncnn6)cn5)n34)cn2)nc1,STUFYIDHSOFLJD-UHFFFAOYSA-N,3,1,0.267,86,892,419.412,2.286,6,0.423,0.61,0.982,0.010725789870468096,0.02643752998423686,0.1657442944280721,0.18784696045507504,0.09768864368446302
EOS-3-33172,CCc1nc(-c2nnc3cncc(OCc4ncccc4F)n23)ccc1-c1ncc(F)cn1,DBTOMFJRJHDNGQ-UHFFFAOYSA-N,3,1,0.421,46,717,446.421,3.458,5,0.391,0.59,0.933,0.6231752450140498,0.5787300390651772,0.26605441710643546,0.27846789116578713,0.43660689808786235
EOS-3-33173,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccs6)n5)n34)cc2)c[nH]1,WOJRQQKYEQFQEW-UHFFFAOYSA-N,3,1,0.291,98,927,426.469,3.194,6,0.46,0.58,0.999,0.05814371873072442,0.07135391679802618,0.06492872318552532,0.08148002193132753,0.06897659516140087
EOS-3-33174,COc1cc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)ccc1-c1nccn1C,WPSUFEXBEACXRW-UHFFFAOYSA-N,3,1,0.452,16,375,461.913,4.136,5,0.375,0.68,1.0,0.5695462956617092,0.4858131725035981,0.5669419505174422,0.43262970324172434,0.5137327804811185
EOS-3-33175,Clc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)cc1,VGPFXVYBHVELDX-UHFFFAOYSA-N,3,1,0.63,13,15,435.274,5.347,5,0.379,0.83,1.0,0.8012387773284901,0.8583715989308478,0.8953635802892194,0.9324754985950243,0.8718623637858953
EOS-3-33177,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ncc(F)cn1,PBMJWKCBYQPLOV-UHFFFAOYSA-N,3,1,0.446,46,717,462.876,3.972,5,0.373,0.66,0.972,0.6553183469261874,0.6845915290247413,0.2993112192447399,0.3434565828250291,0.49566941950517446
EOS-3-33178,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1)N1CCC(CO)C1,BXDYAQUKRHKNQV-UHFFFAOYSA-N,3,1,0.32,52,376,477.528,3.37,6,0.413,0.71,0.765,0.05994277294222466,0.008806798711534508,0.03327393598793777,0.14039476389555205,0.060604567884312247
EOS-3-33179,c1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)n2)c1,VORKLDBFZVUSBJ-UHFFFAOYSA-N,3,1,0.275,99,952,420.4,1.681,6,0.414,0.61,0.984,0.021177438146802823,0.03777157151668837,0.03865396477280515,0.05738126242204098,0.03874605921458433
EOS-3-33180,COc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4C)n23)c1,XCSZYVHTGXFONH-UHFFFAOYSA-N,3,1,0.516,15,684,458.547,4.557,5,0.353,0.79,0.998,0.40915632924405454,0.2993883215680899,0.35490199438009734,0.20765369063121103,0.3177750839558632
EOS-3-33181,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4coc(-c5cnco5)n4)n23)cc1,VWAACDDFAZJGCA-UHFFFAOYSA-N,3,1,0.512,67,415,441.411,2.809,6,0.379,0.62,1.0,0.38290727160578436,0.217351449523679,0.12618223562470016,0.09424473990816257,0.20517142416558148
EOS-3-33182,N#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ncn2)cn1,BBLDDWSHEWYWHD-UHFFFAOYSA-N,3,1,0.406,46,488,461.367,2.906,5,0.363,0.65,0.724,0.8196062641354259,0.7275460900555136,0.8262456308683435,0.7810122678363375,0.7886025632239051
EOS-3-33183,COc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2F)nc1,BNBWUYYSWIVKCB-UHFFFAOYSA-N,3,1,0.366,41,30,465.448,4.718,6,0.36,0.77,1.0,0.7162034815982455,0.5936107874717291,0.7326776780206977,0.6656586251799054,0.6770376430676444
EOS-3-33184,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)c(Cl)c1,QPOVUKQABLEFKL-UHFFFAOYSA-N,3,1,0.536,4,10,438.875,4.681,5,0.396,0.75,0.999,0.8143033376739086,0.9178688917826057,0.6526368994585704,0.7167431978616956,0.775388081694195
EOS-3-33185,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C)c(F)c5)n34)ccn2)s1,OYHAQTZDFJVSOH-UHFFFAOYSA-N,3,1,0.537,24,805,432.484,4.645,5,0.402,0.75,1.0,0.7643153313686519,0.7369097388801316,0.5703344527448427,0.49458570351586595,0.641536306627373
EOS-3-33187,Cc1ccc(-c2ccnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,TXRCIHSJSSZLMG-UHFFFAOYSA-N,3,1,0.456,46,348,431.887,4.128,5,0.416,0.63,1.0,0.5479319443492564,0.5545798780069906,0.6316907682818176,0.5892330888904119,0.5808589198821191
EOS-3-33188,Cn1ccnc1-c1ccccc1-c1nnc2cncc(OCc3cnc(Cl)c(F)c3)n12,KXTCKMSTKJCWRR-UHFFFAOYSA-N,3,1,0.488,16,55,435.85,3.958,5,0.389,0.65,1.0,0.7554485641834007,0.6260879994517168,0.6774895483517237,0.6743968884929066,0.6833557501199369
EOS-3-33189,CCn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)nn4)n23)cn1,MTQIRSOQJVMQQC-UHFFFAOYSA-N,3,1,0.26,99,14,436.439,3.182,6,0.4,0.58,0.845,0.06521143170447537,0.021759989034336236,0.06916935096977589,0.08843636488246179,0.061144284147762316
EOS-3-33190,Fc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,RJSGDYUWOGRKJN-UHFFFAOYSA-N,3,1,0.388,69,30,424.395,4.907,6,0.397,0.77,1.0,0.43406894661092454,0.5044291001302172,0.8498732095127133,0.8345041463916113,0.6557188506613666
EOS-3-33191,Oc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)c1,UJQIPXATWNEKIP-UHFFFAOYSA-N,3,1,0.284,3,158,439.464,3.263,6,0.444,0.54,0.997,0.058152285655541085,0.11352032074566513,0.16270303611815504,0.21075491741484476,0.1362826399835515
EOS-3-33192,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ncc(Cl)cn5)n34)cs2)cn1,BMZDSNUISOXPQN-UHFFFAOYSA-N,3,1,0.429,73,775,440.851,3.471,5,0.382,0.66,0.999,0.537600233020355,0.5733414433554931,0.22678363374683025,0.302403879103557,0.4100322973065589
EOS-3-33193,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)cc1Cl,CAWQAFUPHZLVHT-UHFFFAOYSA-N,3,1,0.658,13,573,456.268,4.825,5,0.386,0.74,1.0,0.7007915838530601,0.7887310670961551,0.8559899938318142,0.9013775615105202,0.8117225515728874
EOS-3-33194,CCn1c(-c2cn(C)nc2C)nnc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,HWXCVHADKPBASE-UHFFFAOYSA-N,3,1,0.299,8,42,465.525,3.179,6,0.385,0.62,1.0,0.029932835309437324,0.013578575834418478,0.021211705846069497,0.01990096634911932,0.021156020834761157
EOS-3-33195,Fc1cccc(F)c1-c1ncoc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,LSSNRBUWVQKEEE-UHFFFAOYSA-N,3,1,0.342,32,327,454.4,4.244,6,0.389,0.65,0.998,0.3414519224179289,0.4594955794667946,0.6440956754163526,0.6804537043382908,0.5313742204098417
EOS-3-33196,COc1nc(C(F)(F)F)ncc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,FOXDXUYRPMPRRZ-UHFFFAOYSA-N,3,1,0.369,66,685,487.417,3.231,5,0.416,0.81,1.0,0.45301041738057707,0.4770749091905969,0.5058512096497841,0.40086354602152013,0.4592000205606196
EOS-3-33197,COCc1nc(-c2nc(-c3cncc4nnc(-c5ccc(C)cn5)n34)ncc2F)nn1C,SWEYQOGILJJKBU-UHFFFAOYSA-N,3,1,0.28,50,432,432.423,2.033,5,0.41,0.64,0.156,0.2505825508875334,0.23266054417106435,0.011479679254334864,0.011693852374751559,0.12660415667192104
EOS-3-33198,Fc1cc(-c2nnc3cncc(OCc4nccc(-c5nnco5)n4)n23)ccc1-c1ccccn1,CQNAGJWEXFZOAA-UHFFFAOYSA-N,3,1,0.453,81,59,467.424,3.411,6,0.359,0.69,1.0,0.8143119045987253,0.6076862449455144,0.310139812213008,0.3211911452265095,0.5133322767459392
EOS-3-33199,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)cc6)[nH]5)n34)cc2)nc1,BDIDBTCPTQGUJK-UHFFFAOYSA-N,3,1,0.362,3,152,448.465,4.753,6,0.418,0.71,1.0,0.24241827153724899,0.3772873689260503,0.6554211500239874,0.6948204372558426,0.4924868069357823
EOS-3-33200,CCn1c(C)nc(-c2ccccn2)c1-c1cncc2nnc(-c3cc(F)ccc3Cl)n12,QIOOFRKAYZGSQL-UHFFFAOYSA-N,3,1,0.325,22,140,433.878,4.838,5,0.405,0.75,0.928,0.214875608251662,0.362569392091015,0.3584744020286478,0.5211517373723529,0.3642677849359194
EOS-3-33201,Cc1ccnc(-c2cnc(-c3cncc4nnc(-c5cc(Cl)cc(Cl)c5)n34)c(F)c2)n1,CZNIANGXGPKNRY-UHFFFAOYSA-N,3,1,0.411,45,575,452.28,5.065,5,0.381,0.75,1.0,0.3143718730724419,0.46393324652182855,0.7708347611541361,0.8582173942841478,0.6018393187581386
EOS-3-33202,COc1ncc(-c2cnc(C)n2C)cc1COc1cncc2nnc(-c3ccc(F)nc3)n12,SKMFJOMEPTXIEH-UHFFFAOYSA-N,3,1,0.419,55,879,446.446,3.017,5,0.367,0.64,1.0,0.5804691248029608,0.4682081420053458,0.34324240970461245,0.1933983277362758,0.39632950106229875
EOS-3-33203,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,VXBPWFYOGBFASD-UHFFFAOYSA-N,3,1,0.448,87,173,448.849,3.452,5,0.364,0.64,1.0,0.7256013981221301,0.7760691522171201,0.5058597765746008,0.5347902816804879,0.6355801521485848
EOS-3-33204,Cc1nc(-c2nnc3cncc(-c4cccc(-c5nnn(C)n5)n4)n23)cc(C(F)(F)F)n1,BWEPSUQMOZBODQ-UHFFFAOYSA-N,3,1,0.273,50,542,439.365,2.161,5,0.416,0.53,0.64,0.14552635186073606,0.18496847371667466,0.2957987800699061,0.20165684325954356,0.2069876122267151
EOS-3-33205,FC(F)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nncs5)c4)n23)cn1,HEEDIXGLSGZTQY-UHFFFAOYSA-N,3,1,0.477,53,226,439.411,3.011,5,0.393,0.63,0.667,0.6676461517373724,0.6747566993352067,0.4030823795490371,0.34664347885682956,0.5230321773696114
EOS-3-33206,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)c(Cl)c1,GFUJEFCHEDKYGJ-UHFFFAOYSA-N,3,1,0.553,35,161,466.332,4.515,5,0.366,0.73,1.0,0.8143204715235419,0.7803183469261874,0.6990867658145432,0.7486035912548832,0.760582293879789
EOS-3-33207,Cc1ncc(-c2nc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)ccc2F)cn1,XSYLVINALDXHEO-UHFFFAOYSA-N,3,1,0.4,46,62,466.839,3.857,5,0.36,0.7,1.0,0.8249006236721267,0.754797477897334,0.682792474813241,0.6715783702282229,0.7335172366527312
EOS-3-33208,Cc1ccc(-c2nn(C)cc2-c2cncc3nnc(-c4cc(-c5ccncc5)ccc4F)n23)cn1,OFOZZCVODPZIAP-UHFFFAOYSA-N,3,1,0.306,42,192,462.492,4.763,6,0.375,0.75,1.0,0.140060653827702,0.3044171064354739,0.6881896374477418,0.6686056473168391,0.4503182612569392
EOS-3-33210,COCc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)nc2)n1,KPLJTTAVYOIOAM-UHFFFAOYSA-N,3,1,0.258,86,968,467.453,2.24,6,0.355,0.65,0.992,0.16230039065177165,0.08183983277362758,0.03191179494208759,0.02385031868960318,0.0749755842642725
EOS-3-33211,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)cn1,CLJNZMGRMGYNBW-UHFFFAOYSA-N,3,1,0.472,51,441,448.849,3.718,5,0.375,0.63,1.0,0.827547803440477,0.7369183058049482,0.6584452744842711,0.607514906449181,0.7076065725447194
EOS-3-33212,Fc1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cnc1F,GSEVDCSGDOKBHA-UHFFFAOYSA-N,3,1,0.431,45,46,420.81,4.847,5,0.39,0.82,0.764,0.40261976560893703,0.7548060448221506,0.9245425262147899,0.9514855047632101,0.758363460352272
EOS-3-33213,Fc1ccc(-c2nnc3cncc(-c4cc(-c5cc(F)ccc5F)cnn4)n23)c(F)c1,CTBALYJOKJRKAJ-UHFFFAOYSA-N,3,1,0.371,45,730,422.345,4.472,5,0.401,0.71,0.999,0.3941813446645192,0.6556096223699541,0.9718919196765129,0.9832859296826811,0.7512422040984168
EOS-3-33214,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)nc1,ZTZNIGUZXVFKKN-UHFFFAOYSA-N,3,1,0.545,84,159,416.42,2.742,5,0.42,0.7,1.0,0.4842711260365979,0.4375556850113083,0.3885957096840518,0.3886471112329518,0.4247674079912275
EOS-3-33215,Cc1csc(COc2cncc3nnc(-c4cc(-c5nc(C)c(F)[nH]5)nc(C)n4)n23)n1,KGAZCTCNIOVPGA-UHFFFAOYSA-N,3,1,0.398,31,599,437.464,3.071,5,0.445,0.63,1.0,0.3963230758686862,0.34843396614351313,0.035921115756288126,0.02314783085463642,0.20095649715578098
EOS-3-33216,CCn1nncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,MXVUDQWIIRIRBK-UHFFFAOYSA-N,3,1,0.446,51,196,451.853,3.231,5,0.387,0.62,1.0,0.4091648961688712,0.4284833116304571,0.25530292646151737,0.32747926804194366,0.35510760057569735
EOS-3-33217,Fc1cc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)ccn1,ILHPNUCGVCHJPK-UHFFFAOYSA-N,3,1,0.518,27,343,449.396,4.299,5,0.357,0.7,1.0,0.9715492426838462,0.9034164896168871,0.9044273867452539,0.8615927626619149,0.9102464704269755
EOS-3-33218,COCCn1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)ccn2)c1,PTVFJLSXFKNXBU-UHFFFAOYSA-N,3,1,0.5,75,99,446.446,2.809,5,0.358,0.65,0.986,0.3090775135357412,0.22280858063189637,0.332525186758961,0.2754351997806867,0.2849616201768213
EOS-3-33219,Clc1cnc(COc2cncc3nnc(-c4nncnc4-c4ccccc4)n23)nc1,SDRLBATUPAVTEI-UHFFFAOYSA-N,3,1,0.393,51,924,417.82,2.666,5,0.425,0.66,0.994,0.4794822150640806,0.44162497429922554,0.0989993831814132,0.182509766294291,0.3006540847097526
EOS-3-33220,Cn1nc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1-c1cccnn1,LETKZZUSLHZXGW-UHFFFAOYSA-N,3,1,0.261,99,14,422.416,1.829,6,0.45,0.61,0.773,0.06338667671852512,0.0884877664313618,0.061013638544308135,0.06337810979370845,0.06906654787197587
EOS-3-33221,Clc1ncccc1CCOc1cncc2nnc(-c3cccnc3-c3ncccn3)n12,LLFHKDKZCSORIM-UHFFFAOYSA-N,3,1,0.494,75,262,430.859,3.313,5,0.378,0.62,1.0,0.7842591323418545,0.8207970666849428,0.23051024604208073,0.2902902474127887,0.5314641731204167
EOS-3-33222,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cc5F)n34)c2)ccn1,NVJSRUIIMAKYRY-UHFFFAOYSA-N,3,1,0.416,46,160,451.824,4.154,5,0.371,0.67,1.0,0.7580614762524844,0.7137019395517785,0.8784353368514838,0.8838582002604345,0.8085142382290453
EOS-3-33223,Fc1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1-c1cncnc1,SRODNOZXQBKFIS-UHFFFAOYSA-N,3,1,0.529,16,817,451.824,4.154,5,0.371,0.67,1.0,0.9398773216366253,0.9140309094647385,0.919796449866356,0.9182201357000891,0.9229812041669523
EOS-3-33224,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccnc(Cl)n5)n34)ncn2)cn1,OIYSLAIDMGIQRB-UHFFFAOYSA-N,3,1,0.316,46,238,417.82,3.187,5,0.406,0.72,0.998,0.5479405112740731,0.4998886299773833,0.28123500788157085,0.25155918031663355,0.3951558323624152
EOS-3-33225,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,OHRGPOOHECMLIT-UHFFFAOYSA-N,3,1,0.464,55,879,416.832,3.271,5,0.402,0.71,1.0,0.7008001507778767,0.6944948941128093,0.4817438832156809,0.4641045850181619,0.5852858782811322
EOS-3-33226,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccco5)c(F)c4)n23)cn1,VPUXKBIPANPFAL-UHFFFAOYSA-N,3,1,0.366,96,204,415.428,4.48,5,0.466,0.78,0.991,0.4319443492563909,0.41501610581865533,0.8929819751901857,0.7902131450894387,0.6325388938386677
EOS-3-33227,O=c1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ncc(F)cn5)n34)nc2)c[nH]1,MCFCFJHGYPBFSH-UHFFFAOYSA-N,3,1,0.25,86,588,465.412,1.99,6,0.409,0.6,0.78,0.34146048934274553,0.3335703515865945,0.10938249605921459,0.14760811459118633,0.23300536289493523
EOS-3-33228,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)ncc(F)c4F)n23)cc1,UIEMOHUPXQDFBT-UHFFFAOYSA-N,3,1,0.554,37,320,468.855,3.535,5,0.352,0.68,1.0,0.8249091905969433,0.7630816941950518,0.6112158179699815,0.6340124049071345,0.7083047769172779
EOS-3-33229,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(OC)s5)n4)n23)cn1,LRRCKCLJMUPZJF-UHFFFAOYSA-N,3,1,0.439,4,617,475.494,2.047,5,0.371,0.68,0.993,0.35287163319854703,0.20754232060859434,0.021220272770886162,0.004746076348433966,0.14659507573161534
EOS-3-33230,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnn5C)s4)n23)c(F)c1,IEAZSRNAEXMZTI-UHFFFAOYSA-N,3,1,0.31,98,765,458.486,3.25,6,0.399,0.61,1.0,0.0792526214789939,0.24829518196148312,0.1627116030429717,0.18507984373929134,0.168834812555685
EOS-3-33231,CCn1cncc1-c1cccc(-c2nnc3cncc(COc4ccc(Cl)cn4)n23)c1,CRLAXTFRQKKYFU-UHFFFAOYSA-N,3,1,0.364,14,351,431.887,4.302,5,0.398,0.67,1.0,0.38978651223356864,0.3958347611541361,0.5401874443149887,0.5110941676375849,0.4592257213350696
EOS-3-33232,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1F,QKLWCARUQANJFC-UHFFFAOYSA-N,3,1,0.539,37,589,449.877,4.001,5,0.389,0.61,1.0,0.8666986498526489,0.8755996847371668,0.6316993352066342,0.6541703790007539,0.757042012199301
EOS-3-33233,CCc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)ncn1,LKUCGNQHEXOUJT-UHFFFAOYSA-N,3,1,0.5,90,636,407.409,2.221,4,0.522,0.83,1.0,0.4794907819888973,0.415024672743472,0.255311493386334,0.1404033308203687,0.322557569734768
EOS-3-33234,Fc1c(CCOc2cncc3nnc(-c4cc(-c5nc[nH]n5)ccn4)n23)ccnc1Cl,LSVNIBLFENGZIA-UHFFFAOYSA-N,3,1,0.468,18,359,437.826,2.78,5,0.403,0.6,1.0,0.6709872524158728,0.6172297991912823,0.4134226578027551,0.4452059488725927,0.5367114145706257
EOS-3-33235,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ncccn5)n4)n23)c1F,FXKHNDFUVLJFPJ-UHFFFAOYSA-N,3,1,0.281,39,527,456.38,1.959,6,0.387,0.56,1.0,0.01813617983688575,0.0914433554931122,0.05900897813720787,0.13810739496950175,0.0766739771091769
EOS-3-33236,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)nc(C)n2)nn1,KNGPDAKEFLUXPA-UHFFFAOYSA-N,3,1,0.408,31,851,443.446,2.811,5,0.365,0.61,0.999,0.6148995956411486,0.47708347611541363,0.14410424234116923,0.12293537111918305,0.33975567130422857
EOS-3-33237,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)s4)n23)nc1,HWIXGGUKIPFSNK-UHFFFAOYSA-N,3,1,0.25,99,601,442.472,1.901,6,0.402,0.55,0.816,0.03493591940237133,0.08184839969844425,0.011985127818518265,0.011188403810568159,0.0349894626824755
EOS-3-33238,c1cnnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccsc5)n34)nn2)c1,WDJXNJWFXKIBRM-UHFFFAOYSA-N,3,1,0.297,70,887,435.476,3.829,6,0.411,0.61,0.996,0.06918648481940923,0.10752347337399767,0.19870982112260982,0.26058015214858476,0.15899998286615036
EOS-3-33239,Cc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3ccc(-c4cnn(CF)c4)nc3)n12,SOBMUKOAAZFOGT-UHFFFAOYSA-N,3,1,0.302,98,866,467.472,3.143,6,0.38,0.65,1.0,0.1540847097525872,0.15638921252827084,0.20209375642519362,0.20481803851689398,0.17934642930573638
EOS-3-33240,COc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,KBCZEMDFMBSXRW-UHFFFAOYSA-N,3,1,0.484,35,710,461.432,3.552,5,0.363,0.65,0.995,0.8554160098690974,0.6506579398259201,0.5199266671235693,0.46411315194297853,0.6225284421903913
EOS-3-33241,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)n4)n23)cn1,WUAAMICJWSHFOW-UHFFFAOYSA-N,3,1,0.456,18,773,448.849,3.452,5,0.364,0.63,1.0,0.8866081831265848,0.8388561441984785,0.4172863408950723,0.45793639915016104,0.6501717668425742
EOS-3-33242,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnccn5)n4)n23)cn1,JPXFJBVRUATNNP-UHFFFAOYSA-N,3,1,0.371,80,277,463.465,2.413,6,0.362,0.63,1.0,0.4412394626824755,0.2891594133369886,0.08211397436776095,0.060431087656774726,0.21823598451099993
EOS-3-33243,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)o1,ODHBQAKOUSIYDC-UHFFFAOYSA-N,3,1,0.482,13,110,422.807,4.735,5,0.413,0.76,1.0,0.7194417791789459,0.7677249674456857,0.7731221300801864,0.7640497566993352,0.7560846583510383
EOS-3-33244,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ncccc1C,QKNQFTJXUCZDDD-UHFFFAOYSA-N,3,1,0.473,35,657,457.469,3.721,5,0.341,0.72,1.0,0.6462888081694195,0.5936193543965458,0.4282177369611404,0.2962528270851895,0.4910946816530738
EOS-3-33245,Fc1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,GIYMFKYGXBJJFV-UHFFFAOYSA-N,3,1,0.464,13,995,436.809,4.972,5,0.37,0.78,1.0,0.6949832088273593,0.8583801658556645,0.9480501679117264,0.9560259749160441,0.8643598793776985
EOS-3-33246,Fc1cc(Cl)cc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)nc5)n34)nc2)c1,JOTVTYMVVQNRTQ-UHFFFAOYSA-N,3,1,0.379,13,417,436.809,4.972,5,0.37,0.78,1.0,0.7286683572064971,0.8756082516619834,0.9350969775889246,0.9434925639092592,0.8707165375916661
EOS-3-33247,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)nc1,ZKWWSUHKWOJDJY-UHFFFAOYSA-N,3,1,0.451,2,795,414.404,2.799,5,0.418,0.74,1.0,0.7008087177026935,0.6506665067507368,0.29931978616955657,0.3119731341237749,0.49069203618669044
EOS-3-33248,Cn1cc(-c2cnccc2COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nn1,IXTBGNNAMOWCSJ-UHFFFAOYSA-N,3,1,0.449,56,8,462.477,3.018,6,0.367,0.64,1.0,0.4435268316085258,0.22794873552189707,0.2660629840312521,0.21920190528407923,0.28918511411143855
EOS-3-33249,COc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1ncnn1C,RUYSQFWQRKFRCA-UHFFFAOYSA-N,3,1,0.516,15,771,462.901,3.265,5,0.363,0.64,1.0,0.5722106092796929,0.5087725310122678,0.37763861284353367,0.31815845384140906,0.44419505174422586
EOS-3-33250,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4n[nH]c(-c5ccc(Cl)cn5)n4)n23)cn1,OKYLJFLTVMSCER-UHFFFAOYSA-N,3,1,0.267,86,953,468.872,2.847,6,0.409,0.61,0.352,0.14553491878555275,0.232669111095881,0.04966246316222329,0.0962579672400795,0.13103111507093412
EOS-3-33251,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5ccncc5)ns4)n23)c(F)c1,LIAXRSBDXDRGOU-UHFFFAOYSA-N,3,1,0.542,73,539,423.408,3.562,5,0.427,0.71,1.0,0.5555479405112741,0.7044068261256939,0.4282263038859571,0.5077445000342677,0.5489813926392982
EOS-3-33252,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)n(C)c1C,NHDYCEBALHZTIC-UHFFFAOYSA-N,3,1,0.416,15,921,431.887,4.649,5,0.412,0.73,1.0,0.4366304571311082,0.4639418134466452,0.3029521622918237,0.29029881433760535,0.3734558118017956
EOS-3-33253,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)nc2)c1,VFROYDNWRIDWFD-UHFFFAOYSA-N,3,1,0.283,70,687,424.449,4.027,6,0.417,0.69,1.0,0.0252552943595367,0.06396922760605853,0.31014837913782467,0.3434651497498458,0.18570951271331643
EOS-3-33254,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc2C)cn1,MNHZYRXIBOAJJQ-UHFFFAOYSA-N,3,1,0.404,31,602,459.901,3.325,5,0.376,0.61,0.663,0.5608851346720581,0.5733500102803097,0.12910355698718387,0.12721883352751695,0.3476393838667672
EOS-3-33255,COc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cncs3)n12,UDOWZHRDDBLMHD-UHFFFAOYSA-N,3,1,0.578,35,777,436.522,4.001,5,0.381,0.7,1.0,0.4135682955246385,0.26860736070180247,0.20937564251936125,0.14526934411623604,0.2592051607155096
EOS-3-33256,Fc1nc(-c2nnc3cncc(OCc4cnccn4)n23)ccc1-c1ncc(Cl)cn1,XFUDOJOJTKGEDL-UHFFFAOYSA-N,3,1,0.407,7,775,435.81,2.805,5,0.384,0.59,1.0,0.6462973750942361,0.6602443286957713,0.27760263175930366,0.32119971215132614,0.4763360119251593
EOS-3-33257,Fc1ccnc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,UCOIFSYNZSUKRF-UHFFFAOYSA-N,3,1,0.549,4,539,439.863,4.076,5,0.407,0.64,1.0,0.6583253375368378,0.8583887327804811,0.354910561304914,0.5313806456034542,0.6007513193064218
EOS-3-33258,C#Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)cn1,ZSVZEWYPXUUQLK-UHFFFAOYSA-N,3,1,0.494,7,535,425.387,2.133,5,0.39,0.6,1.0,0.6149081625659654,0.5361524227263381,0.2812435748063875,0.239916729490782,0.41805522239736825
EOS-3-33259,COc1nc(-c2ccccc2)ccc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,YUVDEKNYAQTFQF-UHFFFAOYSA-N,3,1,0.321,30,668,445.486,4.715,6,0.382,0.73,0.998,0.07311870331025976,0.1135288876704818,0.47130080186416284,0.45472380234391063,0.27816804879720375
EOS-3-33260,Cn1cc(-c2cccc(-c3nnc4cncc(-c5cccc(-c6nccs6)n5)n34)n2)cn1,OLVOYFZEQWPYLC-UHFFFAOYSA-N,3,1,0.297,76,368,437.492,3.772,6,0.414,0.58,1.0,0.014760811459118634,0.03491878555273799,0.15332225344390377,0.15820540058940444,0.0903018127612912
EOS-3-33261,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)cn1,OMOVPPDHFCJGCN-UHFFFAOYSA-N,3,1,0.341,82,204,408.425,2.67,5,0.487,0.81,1.0,0.187384346514975,0.06756733602905901,0.24837228428483313,0.19340689466109245,0.17418271537248992
EOS-3-33262,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)cnn4)n23)nc1,XCGYWINTVMQMAB-UHFFFAOYSA-N,3,1,0.489,87,207,414.404,2.799,5,0.418,0.71,1.0,0.577753409636077,0.5502278802001234,0.3696713727640326,0.3977880200123364,0.47386017065314234
EOS-3-33263,COc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,YBCXUMFJVGCYEN-UHFFFAOYSA-N,3,1,0.368,41,867,447.458,4.579,6,0.378,0.7,1.0,0.36679288602563226,0.1302172572133507,0.6202110890274827,0.5045576040024673,0.40544470906723323
EOS-3-33264,CC1COCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,WMWOVQTWYDPJMJ-UHFFFAOYSA-N,3,1,0.321,63,829,484.52,2.001,6,0.456,0.67,0.999,0.07688815022959358,0.005088753341100679,0.004411966280583921,0.006493729011034199,0.023220649715578096
EOS-3-33265,Fc1cc(-c2cncnn2)ccc1-c1nnc2cncc(OCCc3ccsc3)n12,BIKCBZADWBLGBQ-UHFFFAOYSA-N,3,1,0.56,37,619,419.445,3.465,5,0.416,0.69,1.0,0.8092060174079913,0.8130611335754917,0.5168254403399356,0.514675142210952,0.6634419333835926
EOS-3-33266,CCOc1cc(F)ccc1-c1nnc2cncc(-c3cc(-c4cn(C)nn4)cnn3)n12,NZQUCOYKYSGRHO-UHFFFAOYSA-N,3,1,0.37,50,985,417.408,2.582,5,0.429,0.69,0.975,0.20399561373449387,0.3094544582276746,0.2993283530943732,0.2812949763552875,0.2735183503529573
EOS-3-33267,Cc1nc(-c2ccnc(Cl)c2)nc(-c2cncc3nnc(-c4ccc(Cl)cc4C)n23)n1,IJFKBXOKHCPXGP-UHFFFAOYSA-N,3,1,0.341,29,261,449.305,4.629,5,0.371,0.71,1.0,0.33675724761839493,0.455152148584744,0.42482523473373995,0.5543400041121239,0.4427686587622507
EOS-3-33268,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1-c1cccnn1,ANFLMMCLEHCSLL-UHFFFAOYSA-N,3,1,0.517,27,430,449.396,4.299,5,0.382,0.68,1.0,0.8904375985196354,0.8809797135220341,0.9161041052703721,0.872806867246933,0.8900820711397437
EOS-3-33269,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,VTLMFCGFIJMDHH-UHFFFAOYSA-N,3,1,0.675,59,607,452.852,4.702,5,0.386,0.69,1.0,0.8773387704749503,0.7968353779727229,0.95038037146186,0.9481444040847098,0.8931747309985607
EOS-3-33270,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1ccccc1,RCOQAOZUYKUWCP-UHFFFAOYSA-N,3,1,0.437,13,616,420.835,4.777,5,0.418,0.82,1.0,0.38516037283256804,0.4904221780549654,0.7708433280789527,0.830434857103694,0.619215184017545
EOS-3-33271,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)nn1,IOGZNISABLINLA-UHFFFAOYSA-N,3,1,0.462,58,237,428.431,3.107,5,0.38,0.62,0.992,0.6553269138510041,0.6124323212939483,0.2093842094441779,0.20482660544171064,0.42049251250771025
EOS-3-33272,COc1cc(-c2ccnn2C)ccc1-c1nnc2cncc(OCCc3ncc(F)c(C)n3)n12,ZOFGPRYXVQPZAC-UHFFFAOYSA-N,3,1,0.479,15,771,460.473,3.059,5,0.365,0.64,1.0,0.5018418888355836,0.3531286409430471,0.23750942361729832,0.1404118977451854,0.30822296278527855
EOS-3-33273,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5nccc(-c6nnc(C)s6)n5)n34)cc2)n1,BGVUELPXEIOZEF-UHFFFAOYSA-N,3,1,0.298,38,532,463.53,4.446,6,0.377,0.71,1.0,0.08342471386471112,0.13366116098965117,0.11199540812829827,0.12519703927078335,0.11356958056336097
EOS-3-33274,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ccc2F)ccn1,NRIMBOPZRYZCGC-UHFFFAOYSA-N,3,1,0.516,11,639,444.445,4.456,5,0.36,0.72,1.0,0.9186227811664724,0.9301966965937907,0.8096686313480913,0.7761205537660202,0.8586521657185937
EOS-3-33275,Cc1ccc(-c2nnc3cncc(Oc4nnc(-c5cc(C)nn5C)cc4F)n23)c(F)c1,WVOMJRGQLDEDSO-UHFFFAOYSA-N,3,1,0.398,36,706,434.41,3.669,5,0.426,0.62,1.0,0.5143153313686519,0.5133301350147351,0.4320814200534576,0.38865567815776847,0.4620956411486533
EOS-3-33276,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)nc2C)nn1,MYJJDYQOLWGLKW-UHFFFAOYSA-N,3,1,0.432,31,460,441.499,2.924,5,0.396,0.61,0.996,0.25554280035638405,0.13022582413816736,0.05538516893975738,0.028596395038037146,0.11743754711808647
EOS-3-33277,OCc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnn2)c1,QKQFPRNOJWEYJC-UHFFFAOYSA-N,3,1,0.521,72,796,425.452,2.757,5,0.424,0.62,1.0,0.4993746144883833,0.38196490987595094,0.41001302172572135,0.3725841272016997,0.41598416832293883
EOS-3-33278,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)nc5)n34)cn2)cc1,ZWWWJHVTCWALDP-UHFFFAOYSA-N,3,1,0.341,3,668,451.44,4.984,6,0.378,0.75,0.983,0.013244465766568432,0.24830374888629977,0.8811510520183675,0.9071174011376876,0.5124541669522308
EOS-3-33279,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccnc5)n4)n23)cc1,YPLAQPXFZQEUFC-UHFFFAOYSA-N,3,1,0.412,14,357,408.425,2.333,5,0.473,0.81,1.0,0.14006922075251868,0.03778013844150504,0.19186484819409225,0.14276780206976902,0.12812050236447126
EOS-3-33280,Cc1csc(COc2cncc3nnc(-c4cccc(-c5nnc(C)s5)c4)n23)n1,LJKFNPOMNRCUDO-UHFFFAOYSA-N,3,1,0.512,4,506,421.511,3.962,5,0.424,0.71,1.0,0.3318569666232609,0.3484425330683298,0.05539373586457405,0.04262045096292235,0.1945784216297718
EOS-3-33281,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)cn1,UYLNMKBFAMGGFD-UHFFFAOYSA-N,3,1,0.402,18,157,465.851,4.196,5,0.347,0.72,1.0,0.7131365225138784,0.7502998423685834,0.7753837982317867,0.812255842642725,0.7627690014392433
EOS-3-33282,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c(F)n2)n1,PTNIJUJVUCHBDV-UHFFFAOYSA-N,3,1,0.469,58,699,446.421,3.246,5,0.366,0.64,1.0,0.7700037694469193,0.8012387773284901,0.3029607292166404,0.29935405386882324,0.5433893324652183
EOS-3-33283,Cn1nncc1-c1ccnc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,JTFHCIBSDIVHKT-UHFFFAOYSA-N,3,1,0.398,46,564,437.826,2.748,5,0.413,0.57,1.0,0.43195291618120757,0.3625779590158317,0.48876019464053183,0.5077530669590844,0.44776103419916385
EOS-3-33284,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)ncn2)nn1,FDLNIMKEEWSCNU-UHFFFAOYSA-N,3,1,0.411,46,726,449.837,3.113,5,0.398,0.58,0.792,0.5168768418888355,0.522411075320403,0.40309094647385374,0.419976355287506,0.4655888047426496
EOS-3-33285,Fc1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,LIHLJVBEDVKBLB-UHFFFAOYSA-N,3,1,0.48,65,981,437.826,2.78,5,0.403,0.59,1.0,0.770012336371736,0.8247292851757932,0.42104722088958946,0.4579449660749777,0.6184334521280241
EOS-3-33286,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)nc1,DWBOEKMGAVONGX-UHFFFAOYSA-N,3,1,0.465,2,491,452.812,3.549,5,0.373,0.62,1.0,0.8464550065108628,0.7760777191419368,0.7247875402645466,0.7328918511411144,0.7700530292646152
EOS-3-33287,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)n1,MNMAAZRVJXDXRX-UHFFFAOYSA-N,3,1,0.402,46,160,422.42,4.167,5,0.396,0.74,1.0,0.5453790007538893,0.5224196422452196,0.6990953327393599,0.7115687752724282,0.6196156877527242
EOS-3-33288,Cn1cncc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4cncs4)cc3)n12,CPVFIUUTECHWML-UHFFFAOYSA-N,3,1,0.253,64,495,437.492,3.772,6,0.414,0.61,0.989,0.06339524364334179,0.05997704064149133,0.20577753409636076,0.24546809677198272,0.14365447878829415
EOS-3-33289,OCc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)cn1,YHYNINILLSXGKX-UHFFFAOYSA-N,3,1,0.44,18,238,444.43,2.291,5,0.402,0.56,0.89,0.5637721883352752,0.437564251936125,0.36967993968884927,0.3307004317730108,0.4254292029333151
EOS-3-33290,Cc1ccc(-c2nc(C)ncc2-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)cc1,SDVYJXYRZXTKEW-UHFFFAOYSA-N,3,1,0.585,91,752,458.472,4.765,5,0.365,0.77,1.0,0.8345812487149613,0.8457953532999795,0.7524158727983004,0.7246933040915633,0.7893714447262011
EOS-3-33291,c1ccc(-c2ncncc2-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)cc1,LKUGVCUARYXZHR-UHFFFAOYSA-N,3,1,0.325,9,553,416.448,4.305,6,0.46,0.75,0.982,0.15409327667740388,0.09454458227674593,0.5334110067850044,0.5705571927900761,0.3381515146323076
EOS-3-33292,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)[nH]2)c1,WXVBYKJBQSKAIH-UHFFFAOYSA-N,3,1,0.326,10,407,424.403,3.168,6,0.445,0.6,0.286,0.22313412377492975,0.36258652594064833,0.3658333904461654,0.4516140086354602,0.3507920121993009
EOS-3-33293,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n(C)n1,WDUFLANREHKNHT-UHFFFAOYSA-N,3,1,0.375,67,789,454.458,1.908,6,0.383,0.64,1.0,0.32423240353642657,0.21736001644849565,0.030738126242204098,0.018598793776985815,0.14773233500102803
EOS-3-33294,COc1ccc(-c2cc(Cl)c(C)nn2)cc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,JVOBMDLBYWRUFA-UHFFFAOYSA-N,3,1,0.398,62,124,471.908,3.985,5,0.411,0.67,1.0,0.44353539853334245,0.3819734768007676,0.5634380782674251,0.4516225755602769,0.460142382290453
EOS-3-33295,c1cc(-c2ccnnc2)nc(-c2cncc3nnc(-c4cccnc4-c4cncnc4)n23)c1,WPDHAAQSIURWDW-UHFFFAOYSA-N,3,1,0.272,94,165,430.435,3.162,6,0.415,0.57,1.0,0.08343328078952779,0.08524946885066137,0.28485881707902133,0.30897471043794117,0.1906290692892879
EOS-3-33296,Clc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ncccn5)c4)n23)cn1,BOHXPRBFFHUYNI-UHFFFAOYSA-N,3,1,0.568,97,91,450.289,4.529,5,0.364,0.71,1.0,0.9264443835240902,0.9270783359605236,0.752424439723117,0.7991912822973065,0.8512846103762594
EOS-3-33297,Cc1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc(-c2cnco2)n1,SISCJSSIIJZJBJ-UHFFFAOYSA-N,3,1,0.468,87,661,451.849,3.959,5,0.382,0.64,1.0,0.7466846000959496,0.6309111781235008,0.5233534370502364,0.5243729011034199,0.6063305290932768
EOS-3-33298,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ncn2)cn1,ICGBTXWGGRZCAQ-UHFFFAOYSA-N,3,1,0.494,44,573,437.797,4.367,5,0.385,0.67,1.0,0.7982574874922898,0.8054537043382908,0.8847320265917347,0.9025769309848537,0.8477550373517921
EOS-3-33299,Cn1nnnc1-c1cnc(F)c(COc2cncc3nnc(-c4ccc(F)cn4)n23)c1,VKXUHOAUCALAII-UHFFFAOYSA-N,3,1,0.402,46,728,422.359,1.629,5,0.389,0.62,1.0,0.5093979165238846,0.37729593585086696,0.19524878349667604,0.24279521622918238,0.3311844630251525
EOS-3-33301,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccncc5F)n34)c(Cl)cn2)nn1,MTYKRDSSQBLQBL-UHFFFAOYSA-N,3,1,0.433,55,772,448.849,3.718,5,0.4,0.58,1.0,0.6979302309642931,0.7415187444314989,0.5862089644301282,0.5982711945719964,0.6559822835994791
EOS-3-33302,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(CO)c5)n34)ccn2)cn1,OFIYSBBTQGKLIL-UHFFFAOYSA-N,3,1,0.5,75,530,440.467,2.461,5,0.406,0.61,1.0,0.46468713590569527,0.3044256733602906,0.3064474676170242,0.21076348433966144,0.32158094030566786
EOS-3-33303,Cn1ccnc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)s1,CLGRUFWRCJRJFB-UHFFFAOYSA-N,3,1,0.282,86,812,440.496,3.111,6,0.415,0.58,1.0,0.06170755945445823,0.052258241381673634,0.061022205469124804,0.05590775135357412,0.0577239394147077
EOS-3-33304,Cc1nc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)(F)F)nn5)n34)nc2)cn1C,BALDHVPELNXBRH-UHFFFAOYSA-N,3,1,0.309,85,476,451.416,3.295,5,0.413,0.58,0.311,0.22049551093139608,0.2686159276266191,0.655429716948804,0.4547323692687273,0.39981838119388663
EOS-3-33305,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(C)n4)n23)cc1-c1cnccn1,JMZQKHCWBAXYHQ-UHFFFAOYSA-N,3,1,0.459,87,822,458.457,3.116,5,0.363,0.67,1.0,0.6345435542457679,0.5597371667466247,0.2885682955246385,0.185088410664108,0.4169843567952847
EOS-3-33306,CCc1cncc(COc2cncc3nnc(-c4ccc(-c5ccncn5)cc4F)n23)n1,WCRNQFRCJUZXBD-UHFFFAOYSA-N,3,1,0.457,7,815,428.431,3.319,5,0.406,0.62,1.0,0.6709958193406894,0.7415273113563156,0.3776471797683503,0.3338530601055445,0.5310058426427249
EOS-3-33307,Cc1nc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)cs1,RHDSZSJTMDXOLZ-UHFFFAOYSA-N,3,1,0.506,4,137,436.447,4.475,5,0.404,0.74,1.0,0.5864060037009116,0.6455520526351861,0.7524330066479337,0.7381605099033651,0.6806378932218491
EOS-3-33308,Fc1cncc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)c2)c1,HQSCYEHIDQQKND-UHFFFAOYSA-N,3,1,0.272,32,515,446.449,4.511,6,0.393,0.67,1.0,0.2961928586114728,0.362595092865465,0.6441042423411693,0.7057089986978274,0.5021502981289836
EOS-3-33309,O=C(Nc1cncc(F)c1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)nc1,MBYVXTTUGHMINM-UHFFFAOYSA-N,3,1,0.35,50,315,481.373,3.449,5,0.387,0.72,1.0,0.11304057295593174,0.207550887533411,0.809677198272908,0.6715869371530395,0.45046389897882255
EOS-3-33310,Cn1nnnc1-c1cc(Cl)nc(COc2cncc3nnc(-c4cccs4)n23)c1,URVDHEUCFJWYAX-UHFFFAOYSA-N,3,1,0.441,36,728,425.865,2.671,5,0.395,0.64,1.0,0.3414690562675622,0.45053457610856007,0.06917791789459256,0.11606469741621547,0.2443115619217326
EOS-3-33311,Cc1nc(-c2cncn2C)nnc1Cc1cncc2nnc(-c3ccc(C(C)(F)F)nc3)n12,XYBKRPJTGNQFJO-UHFFFAOYSA-N,3,1,0.353,85,362,448.441,2.783,5,0.403,0.61,0.997,0.22603831128778012,0.23776643136179837,0.24838085120964978,0.16091254883147146,0.21827453567267494
EOS-3-33312,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C(F)F)cn5)ccc4F)n23)nc1,XJVNUKJGWMXTCA-UHFFFAOYSA-N,3,1,0.466,46,348,463.423,4.607,5,0.363,0.76,1.0,0.8940528407922692,0.8284901651703105,0.8847405935165513,0.8304434240285107,0.8594317558769105
EOS-3-33313,Clc1ccc(-c2cccc(-c3nnc4cncc(Cc5ccnc(Cl)c5)n34)c2)cn1,YSPRFXYSNOQYEU-UHFFFAOYSA-N,3,1,0.348,14,358,433.302,5.146,5,0.367,0.81,1.0,0.31173326022890824,0.33357891851141114,0.8859485299157015,0.9266756904941402,0.6144840997875403
EOS-3-33314,COc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccn6)nn5)n34)cc2)ccc1F,HPEFJBFLFHBMNK-UHFFFAOYSA-N,3,1,0.362,3,774,464.464,4.249,6,0.376,0.71,1.0,0.0437255842642725,0.28391645534918786,0.6499040504420533,0.627989856761017,0.40138398670413267
EOS-3-33315,COCc1ncc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)cn1,CJKYQOISIBFEJL-UHFFFAOYSA-N,3,1,0.392,92,182,445.418,2.298,5,0.344,0.61,1.0,0.4206103077239394,0.35313720786786373,0.30296929614145707,0.23696970735384826,0.32842162977177713
EOS-3-33316,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(C(F)F)n5)n34)c2)ccn1,XQWIUAYHXLAGSQ-UHFFFAOYSA-N,3,1,0.406,18,840,464.411,3.737,5,0.336,0.7,0.994,0.569554862586526,0.5889075457473785,0.652645466383387,0.5982797614968131,0.6023469090535262
EOS-3-33317,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)c2)nn1,VMMFCOVXWMIJPS-UHFFFAOYSA-N,3,1,0.324,42,42,422.412,2.699,6,0.421,0.61,1.0,0.09781714755671304,0.059985607566308,0.2305188129668974,0.2222174628195463,0.15263475772736618
EOS-3-33318,Clc1cc(CCOc2cncc3nnc(-c4cncc(-c5nncs5)c4)n23)ccn1,LEXOLHQYNAAMAY-UHFFFAOYSA-N,3,1,0.489,87,142,436.888,3.375,5,0.373,0.65,1.0,0.6006270988965801,0.7090672332259612,0.31390925913234186,0.3595109999314646,0.495778647796587
EOS-3-33319,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnn(C)n5)nc4)n23)cc(C(F)(F)F)n1,AVQITZHJNVNKPF-UHFFFAOYSA-N,3,1,0.436,92,185,468.403,2.678,5,0.383,0.63,0.992,0.4967531354944829,0.5453275992049894,0.5634466451922417,0.3274878349667603,0.48325380371461857
EOS-3-33320,O=C(O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncc(F)c5)n4)n23)cc1,VUQSAKUBFKFTSI-UHFFFAOYSA-N,3,1,0.388,96,140,412.384,3.753,5,0.479,0.78,1.0,0.285098690973888,0.10753204029881434,0.6470855321773696,0.5767253786580769,0.4041104105270372
EOS-3-33321,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cc5)n34)s2)nc1,PWZXPDKFQHNKEL-UHFFFAOYSA-N,3,1,0.303,32,126,423.461,4.632,6,0.408,0.74,1.0,0.20127989856761017,0.18081351518059077,0.3623209512713316,0.39779658693715303,0.28555273798917136
EOS-3-33322,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)n(C)n2)n(C)n1,HGOYJSAIEWUGFR-UHFFFAOYSA-N,3,1,0.389,22,844,423.843,3.088,5,0.443,0.59,0.999,0.14863614556918647,0.37234425330683296,0.16575286135288878,0.2843533685148379,0.24277165718593652
EOS-3-33323,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cnn2)c(F)c1,PRSQROWBLHSEBL-UHFFFAOYSA-N,3,1,0.551,84,429,465.851,4.196,5,0.371,0.71,1.0,0.9038362689329038,0.9349684737166747,0.8417860324857789,0.879617572476184,0.8900520869028853
EOS-3-33324,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)cnn2)n1,GWJXDASULVUFQZ-UHFFFAOYSA-N,3,1,0.474,58,778,428.431,3.107,5,0.406,0.6,0.993,0.7162120485230622,0.6360684668631348,0.39218525118223563,0.3662189020629155,0.527671167157837
EOS-3-33325,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)o1,OKDMXXREVCIHKZ-UHFFFAOYSA-N,3,1,0.517,97,439,436.834,4.521,5,0.374,0.72,1.0,0.8196148310602426,0.7230141868274964,0.8173531629086424,0.7877373038174217,0.7869298711534508
EOS-3-33326,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,PFPJKOBNGKASBF-UHFFFAOYSA-N,3,1,0.299,30,298,417.436,3.496,6,0.433,0.65,0.922,0.021186005071619492,0.024115893358919883,0.18846377904187514,0.2784764580906038,0.12806053389075456
EOS-3-33327,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cnccn6)n5)n34)cc2)nc1,YYGHCMHHNPMWQV-UHFFFAOYSA-N,3,1,0.461,80,355,460.461,3.074,6,0.365,0.58,1.0,0.5044033993557673,0.3958433280789528,0.23052737989171407,0.19590843670755945,0.3316706360084984
EOS-3-33328,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnnc(-c5ccccc5F)n4)n23)cc1,INALRHBITBKISQ-UHFFFAOYSA-N,3,1,0.377,64,144,465.427,4.046,6,0.384,0.65,0.996,0.24793537111918307,0.3865225138784182,0.4919299568226989,0.6340209718319512,0.44010220341306283
EOS-3-33329,Fc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)c1,FIZLMRAOTNHKQY-UHFFFAOYSA-N,3,1,0.462,54,873,448.849,3.452,5,0.389,0.58,0.995,0.7101809334521281,0.6700620245356727,0.5233620039750532,0.6195942704406826,0.6307998081008841
EOS-3-33330,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)c1,CPLPVHLAJOLFBT-UHFFFAOYSA-N,3,1,0.457,18,481,448.849,3.452,5,0.389,0.58,0.975,0.7345452676307312,0.7322236310054143,0.5862175313549448,0.6370793639915016,0.6725164484956481
EOS-3-33331,Cn1nnc(-c2cc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ncn2)n1,AUGLHEMXCUUYPT-UHFFFAOYSA-N,3,1,0.37,85,784,413.405,0.461,5,0.432,0.71,0.998,0.07312727023507641,0.026446096909053526,0.017802069769035707,0.008532657117401138,0.0314770235076417
EOS-3-33332,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(C(F)F)no4)n23)cc1,RMAYGBATYQIGRY-UHFFFAOYSA-N,3,1,0.573,36,734,438.398,3.574,5,0.379,0.68,1.0,0.5582122541292578,0.45950414639161125,0.43576519772462474,0.3338616270303612,0.4468358063189637
EOS-3-33333,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)nn2)cc1,SEWADBFELJFFHB-UHFFFAOYSA-N,3,1,0.35,3,783,424.399,3.833,6,0.424,0.63,1.0,0.05457987800699061,0.15243129326297034,0.592557055719279,0.6427849359194023,0.3605882907271606
EOS-3-33334,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(OCc4cnccn4)n23)s1,YBBNYSKPWTVHOK-UHFFFAOYSA-N,3,1,0.488,4,815,419.445,3.731,5,0.429,0.73,1.0,0.45070591460489345,0.5406843259543554,0.237517990542115,0.28130354328010415,0.377552943595367
EOS-3-33335,Clc1ccc(CCOc2ncccc2-c2cncc3nnc(-c4cnc(Cl)nc4)n23)nc1,KGQKDQGEWBXNQL-UHFFFAOYSA-N,3,1,0.394,87,478,465.304,3.967,5,0.347,0.73,1.0,0.532391542731821,0.6217788362689329,0.4397231169899253,0.497678363374683,0.5228929648413405
EOS-3-33336,Cn1nccc1-c1cnc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1F,BLVHJYFPYBKVEZ-UHFFFAOYSA-N,3,1,0.429,95,954,450.865,3.396,5,0.366,0.64,1.0,0.5979285175793297,0.5224282091700363,0.4502947022136934,0.4763124528819135,0.5117409704612432
EOS-3-33337,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ncn2)ccc1F,YLYHWNQLZIRTGU-UHFFFAOYSA-N,3,1,0.409,44,488,449.396,3.948,5,0.401,0.61,0.967,0.7345538345555479,0.6556181892947708,0.8319340689466109,0.8056935782331575,0.7569499177575219
EOS-3-33338,Cc1nnc(-c2cc(C#N)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)s1,XDSRSMQUYCKBNM-UHFFFAOYSA-N,3,1,0.562,15,393,440.492,3.506,5,0.394,0.6,1.0,0.7040470152833939,0.5453361661298061,0.34711465972174627,0.31518573093002533,0.47792089301624285
EOS-3-33339,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ccc(C)nn1,GNHIKAUCHNDYRE-UHFFFAOYSA-N,3,1,0.485,72,925,457.469,3.721,5,0.365,0.64,1.0,0.7955503392502228,0.6995493797546433,0.5669505174422589,0.4358680008224248,0.6244795593173875
EOS-3-33340,Fc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1cccnn1,ODPVBOZRHYGSEG-UHFFFAOYSA-N,3,1,0.512,20,846,414.404,2.799,5,0.418,0.72,1.0,0.8143290384483586,0.8458039202247961,0.40681755876910425,0.4167123569323556,0.6209157185936536
EOS-3-33341,COc1cc(-c2nnc3cncc(OCc4nncc(-c5cccnc5)n4)n23)ccc1Cl,IKYGGISYGGRHFC-UHFFFAOYSA-N,3,1,0.452,16,67,446.858,3.279,5,0.387,0.59,1.0,0.7525101089712837,0.8320026043451443,0.3959632650263861,0.3886642450825852,0.5922850558563498
EOS-3-33342,CC(F)(F)c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccccc5F)n4)n23)cn1,FQCSQHMPCZNARS-UHFFFAOYSA-N,3,1,0.444,27,975,452.4,3.597,5,0.388,0.66,1.0,0.4158213967514221,0.55023644712494,0.7664399287231856,0.6457833596052361,0.594570283051196
EOS-3-33343,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c(Cl)c1,WQKGBCVYUDZMJA-UHFFFAOYSA-N,3,1,0.684,91,660,448.889,4.606,5,0.379,0.72,1.0,0.7728308546364198,0.8756168185868001,0.8385905695291618,0.8461380302926461,0.833294068261257
EOS-3-33344,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)c1F,QRNIYQBJOTZPQP-UHFFFAOYSA-N,3,1,0.522,26,832,447.449,3.795,5,0.394,0.62,1.0,0.7466931670207663,0.6404718662189021,0.727486121581797,0.6485419093962032,0.6907982660544171
EOS-3-33345,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c(F)c2)s1,NNNWEUPKMLDMFW-UHFFFAOYSA-N,3,1,0.494,16,772,453.434,3.571,5,0.36,0.72,1.0,0.7345624014803646,0.6798197519018573,0.49193852374751557,0.4262730450277568,0.5831484305393736
EOS-3-33346,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)c5)n34)c2)cn1,IEERDKLCHWDQGD-UHFFFAOYSA-N,3,1,0.5,77,190,460.501,4.228,6,0.367,0.69,1.0,0.46943321225412926,0.23777499828661502,0.5736841203481599,0.48553046398464805,0.441605698718388
EOS-3-33347,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc[nH]5)cn4)n23)s1,RKXFFRKGXPSMAV-UHFFFAOYSA-N,3,1,0.238,70,652,425.481,3.705,6,0.462,0.65,0.747,0.051307312727023505,0.07825029127544376,0.1562692755808375,0.16318278390788843,0.1122524158727983
EOS-3-33348,Fc1ncccc1-c1cnc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cn1,KSDDCPTYXXWGPT-UHFFFAOYSA-N,3,1,0.323,86,459,448.425,3.301,6,0.374,0.6,1.0,0.24503975053114935,0.33857343567952847,0.347123226646563,0.37259269412651636,0.3258322767459393
EOS-3-33349,Cc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)nc2)n1,UYLJPEHRIPZIDO-UHFFFAOYSA-N,3,1,0.274,70,392,448.515,4.742,6,0.384,0.72,1.0,0.06340381056815846,0.09145192241792886,0.3959718319512028,0.37912925776163386,0.232489205674731
EOS-3-33350,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5Cl)ncn4)n23)nc1,XBSGJNZEZMGNIF-UHFFFAOYSA-N,3,1,0.432,46,128,434.822,3.41,5,0.387,0.61,1.0,0.6203395928997327,0.6602528956205881,0.5368377767116715,0.5832105407442945,0.6001602014940717
EOS-3-33351,Cn1ncc(-c2nnc3cncc(OCc4ccc(F)nn4)n23)c1-c1ccccc1F,MTYBPBRUIMQCAB-UHFFFAOYSA-N,3,1,0.483,36,208,420.383,2.839,5,0.431,0.61,1.0,0.41817730107600576,0.4463282160235762,0.42823487081077377,0.47031560551024604,0.4407639983551504
EOS-3-33353,Fc1cncc(COc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)c1F,AQCKOADHBPAMLD-UHFFFAOYSA-N,3,1,0.476,2,419,422.42,4.167,5,0.423,0.7,1.0,0.7256099650469467,0.607694811870331,0.8481512576245631,0.8363803029264615,0.7544590843670755
EOS-3-33354,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c(F)c2)cn1,KAFUKSLKCKDGKM-UHFFFAOYSA-N,3,1,0.338,9,867,460.476,4.82,6,0.372,0.72,1.0,0.3668014529504489,0.4505431430333767,0.6855167569049414,0.6485504763210198,0.5378529573024468
EOS-3-33355,Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5cccc(Cl)n5)n4)n23)cc1,AZHCKLXSKOBFGM-UHFFFAOYSA-N,3,1,0.483,89,975,418.848,3.308,5,0.404,0.7,1.0,0.49938318141319993,0.5177849359194023,0.2520988965800836,0.3058649167294908,0.3937829826605441
EOS-3-33356,Cc1csc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)cn2)n1,DMNUXCZBXJMFEM-UHFFFAOYSA-N,3,1,0.489,58,579,468.905,3.822,5,0.37,0.74,1.0,0.713145089438695,0.8130697005003084,0.20210232335001027,0.24852648893153315,0.4942109005551367
EOS-3-33357,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)cc(C)n2)nn1,FFVVUYFHXWVSSQ-UHFFFAOYSA-N,3,1,0.478,58,265,460.448,3.555,5,0.379,0.64,0.995,0.6738143376053731,0.6077033787951477,0.5130302926461517,0.44846994722774314,0.5607544890686039
EOS-3-33358,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5nc(Cl)ncc5F)n34)c2)cn1,LXVJQFCXETUURU-UHFFFAOYSA-N,3,1,0.462,7,85,448.849,3.718,5,0.375,0.67,1.0,0.7194503461037626,0.7183280789527791,0.47468473716674664,0.4609519566856281,0.5933537797272291
EOS-3-33359,Cn1cc(-c2cccnn2)c(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)n1,ZWTYWJUANAMLQD-UHFFFAOYSA-N,3,1,0.307,3,572,467.443,3.989,6,0.362,0.71,0.988,0.13487766431361797,0.3437564251936125,0.6584538414090878,0.6948290041806593,0.4579792337742444
EOS-3-33360,COc1cncc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)n1,GZDJGARUXIXCBS-UHFFFAOYSA-N,3,1,0.322,8,890,452.442,1.633,6,0.379,0.59,1.0,0.11578198889726543,0.11983414433554931,0.037120485230621614,0.026566033856486874,0.0748256630799808
EOS-3-33362,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cc(C(F)(F)F)ccn1,UVIMDMJJPOJNNF-UHFFFAOYSA-N,3,1,0.477,95,493,466.427,3.622,5,0.377,0.69,1.0,0.4621256253855116,0.3581402919607978,0.8559985607566308,0.7355647316839148,0.6029573024467137
EOS-3-33363,Fc1cc(-c2nnc3cncc(Cc4cccc(-c5cncnn5)c4)n23)ccc1-c1ncco1,VTCGKYSVTBITAR-UHFFFAOYSA-N,3,1,0.34,3,787,450.437,4.028,6,0.387,0.61,1.0,0.3343670755945446,0.34845109999314644,0.6317079021314509,0.6279984236858337,0.48563112535124386
EOS-3-33364,Cc1noc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c(Cl)cn2)n1,YGIWKZBKPJXXFR-UHFFFAOYSA-N,3,1,0.396,46,915,455.265,3.826,5,0.39,0.64,1.0,0.595289904735796,0.5787386059899938,0.3396271674319786,0.43587656774724143,0.4873830614762525
EOS-3-33365,COc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4ccnn4C)ccn3)n12,JYPSMDCVXZKHFP-UHFFFAOYSA-N,3,1,0.427,31,569,431.46,1.95,5,0.385,0.6,1.0,0.18739291343979164,0.019498320882735933,0.061030772393941474,0.02474127887053663,0.07316582139675142
EOS-3-33366,COc1cnc(-c2ncnc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)n2)cn1,CTLBZMTWQQPTQC-UHFFFAOYSA-N,3,1,0.266,86,953,462.437,1.961,6,0.367,0.58,0.699,0.2962014255362895,0.13366972791446782,0.026309026111986843,0.020663422657802754,0.11921090055513672
EOS-3-33367,COCc1cc(-c2cccc(CF)n2)cc(-c2nnc3cncc(OCc4cccnn4)n23)n1,HIYBHODKZYIPKW-UHFFFAOYSA-N,3,1,0.392,4,122,458.457,3.233,5,0.346,0.67,0.91,0.3367658145432116,0.27361901171955316,0.2736618463436365,0.2107720512644781,0.2737046809677198
EOS-3-33368,COc1ncc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1cccc(C#N)c1,IRMJXTRJYNRDQT-UHFFFAOYSA-N,3,1,0.478,87,657,450.462,3.145,5,0.368,0.65,1.0,0.535124391748338,0.5313549448290041,0.44673086148995955,0.3530601055445137,0.46656757590295383
EOS-3-33369,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4cccc(-c5cncnc5)c4)n23)cc1,AAMDDOPJVBQKBM-UHFFFAOYSA-N,3,1,0.273,30,498,429.447,3.767,6,0.417,0.6,0.999,0.05285792611884038,0.03175759029538757,0.34713179357137963,0.45474093619354394,0.2216220615447879
EOS-3-33370,COc1ncc(-c2nnc3cncc(OCc4ccnc(C)n4)n23)cc1-c1ccccn1,QOMBJWJGVKZBTL-UHFFFAOYSA-N,3,1,0.457,7,567,426.44,2.934,5,0.404,0.63,1.0,0.359862243848948,0.18497704064149134,0.1691796312795559,0.08661160989651155,0.20015763141662668
EOS-3-33371,COc1cc(-c2nncn2C)nc(C)c1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,QZIVVOUWIWAXHW-UHFFFAOYSA-N,3,1,0.315,52,295,481.52,2.858,6,0.393,0.74,0.971,0.19561716126379275,0.0639777945308752,0.04004180659310534,0.034499006236721266,0.08353394215612364
EOS-3-33372,CCOC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)cnc5OC)cn4)n23)cc1,GSJCXFYENPMNKR-UHFFFAOYSA-N,3,1,0.339,62,139,470.464,4.24,5,0.34,0.78,0.999,0.4744876978959633,0.4505517099581934,0.5502964155986567,0.36933726269618256,0.461168271537249
EOS-3-33373,Fc1cccnc1-c1ccncc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,SGGRXVGWCORLOY-UHFFFAOYSA-N,3,1,0.462,87,132,448.849,3.452,5,0.389,0.6,1.0,0.7403964772805154,0.7415358782811322,0.4030995133986704,0.4913988074840655,0.5941076691110959
EOS-3-33374,Fc1ccnc(-c2ncccc2-c2nnc3cncc(OCCc4nccnc4Cl)n23)c1,LMUZWMPXMZFNCJ-UHFFFAOYSA-N,3,1,0.463,75,324,448.849,3.452,5,0.389,0.6,0.982,0.7467017339455829,0.7503084092934,0.29933692001918993,0.4136282639983552,0.552493831814132
EOS-3-33375,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)cn1,NRWDTUJXRBJPTH-UHFFFAOYSA-N,3,1,0.529,16,256,435.9,4.246,5,0.407,0.69,1.0,0.6203481598245494,0.6995579466794599,0.45737954903707767,0.4703241724350627,0.5619024569940374
EOS-3-33376,Fc1cc(-c2nc[nH]n2)c(F)cc1Cc1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12,PHDZBCKZUVLIMN-UHFFFAOYSA-N,3,1,0.429,47,225,458.354,3.859,5,0.411,0.65,0.889,0.4340775135357412,0.6404804331437187,0.9729884860530464,0.945145980398876,0.7481731032828456
EOS-3-33377,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)nc5)ccc4OC)n23)cc1,QPOIKPGWIWKRBG-UHFFFAOYSA-N,3,1,0.467,89,656,481.516,3.504,5,0.375,0.78,1.0,0.4507144815297101,0.14110581865533547,0.49881776437529984,0.2339455828935645,0.3311459118634775
EOS-3-33378,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cccc(F)c5F)cnn4)n23)ccn1,OGASVAFMNQODOA-UHFFFAOYSA-N,3,1,0.474,19,207,449.396,3.682,5,0.365,0.66,1.0,0.7842676992666713,0.7503169762182167,0.8481598245493798,0.8563755054485642,0.809780001370708
EOS-3-33379,c1cnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)[nH]5)n34)cc2)nc1,IKFVRDMOCAKGCH-UHFFFAOYSA-N,3,1,0.297,42,608,418.424,3.095,6,0.463,0.65,1.0,0.06714755671304229,0.09146048934274553,0.2231512576245631,0.257633130011651,0.15984810842300048
EOS-3-33380,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)c(F)c1,FHIQERXOOHZBDH-UHFFFAOYSA-N,3,1,0.453,26,448,450.865,3.836,5,0.363,0.69,1.0,0.5952984716606127,0.6506750736755534,0.547015283393873,0.5178963059420191,0.5777212836680146
EOS-3-33381,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5nc(-c6cccnn6)ccc5F)n34)c2)nn1,OSDCMJUFCYZYFP-UHFFFAOYSA-N,3,1,0.242,99,719,452.417,2.035,6,0.39,0.56,0.548,0.051315879651840174,0.13023439106298404,0.10939106298403126,0.14761668151600302,0.10963950380371462
EOS-3-33382,COc1ncc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nn5)ncc4Cl)n23)cn1,BRHKRTMUJFYTJE-UHFFFAOYSA-N,3,1,0.429,55,283,465.836,2.813,5,0.369,0.61,0.999,0.6770269344116236,0.5981598245493798,0.3584829689534645,0.32120827907614286,0.4887195017476527
EOS-3-33383,COc1ncccc1-c1cncc2nnc(-c3scnc3-c3cccc(Cl)c3)n12,SAVCBJKJXBBKID-UHFFFAOYSA-N,3,1,0.375,96,46,420.885,4.639,5,0.421,0.8,1.0,0.3941899115893359,0.41503323966828864,0.4031080803234871,0.48553903090946476,0.4244675656226441
EOS-3-33384,Cc1cnc(-c2ncc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2Cl)nc1,MHBLPKBLFQBBMO-UHFFFAOYSA-N,3,1,0.467,55,85,466.292,3.628,5,0.383,0.64,1.0,0.545387567678706,0.6602614625454047,0.2446799396888493,0.33070899869782744,0.4452594921526969
EOS-3-33385,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4)n23)n1,LLVKAEVTKNYGTL-UHFFFAOYSA-N,3,1,0.353,76,750,449.453,3.85,6,0.403,0.6,0.921,0.13488623123843466,0.21736858337331233,0.32146528682064285,0.4103642656432047,0.27102109176889866
EOS-3-33386,Fc1cc(COc2cncc3nnc(-c4cncc(-c5cccnc5Cl)c4)n23)ccn1,YJOUMKUQPZTOSC-UHFFFAOYSA-N,3,1,0.46,2,419,433.834,4.015,5,0.386,0.67,1.0,0.8092145843328079,0.8090346789116579,0.8190151463230758,0.8223648139263929,0.8149073058734836
EOS-3-33387,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)nn1,CXUWPODCFTXDAB-UHFFFAOYSA-N,3,1,0.433,18,88,415.482,3.635,5,0.418,0.75,1.0,0.48186382016311424,0.2839250222740045,0.2267922006716469,0.1934154615859091,0.2964991261736687
EOS-3-33388,Cn1ccnc1-c1ccnc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,HYMRPSMNRHWNMF-UHFFFAOYSA-N,3,1,0.494,18,904,416.42,2.742,5,0.42,0.68,1.0,0.5608937015968748,0.3865310808032349,0.35849153587828114,0.31816702076622577,0.40602083476115414
EOS-3-33389,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccccc5Cl)ncn4)n23)cc1F,JVZHCCJKIANBRT-UHFFFAOYSA-N,3,1,0.58,44,488,450.836,4.759,5,0.384,0.72,0.982,0.9070145980398876,0.870125419779316,0.929725515728874,0.9466708930162429,0.91338410664108
EOS-3-33390,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3F)n12,ZIPKZFUVHLLPSI-UHFFFAOYSA-N,3,1,0.461,59,89,450.836,4.759,5,0.384,0.72,1.0,0.9347200328969913,0.9178774587074224,0.9279007607429237,0.9342488520320745,0.928686776094853
EOS-3-33393,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2F)ncn1,JTKDEMDPYZEGQG-UHFFFAOYSA-N,3,1,0.539,35,429,461.888,4.366,5,0.371,0.68,1.0,0.9621598930847783,0.9392862038242752,0.7477554656980331,0.7432920978685491,0.848123415118909
EOS-3-33394,COc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cnc(C)cn1,ZXWRQCUCCCIFHG-UHFFFAOYSA-N,3,1,0.489,65,552,440.467,2.977,5,0.377,0.62,1.0,0.43408608046055785,0.1982643410321431,0.20578610102117745,0.11128435336851483,0.2373552189705983
EOS-3-33395,CCOc1ncc(-c2nnc3cncc(-c4ccc(-c5cnc(C)cn5)cc4C)n23)cc1F,GIOBENMIDCSLIB-UHFFFAOYSA-N,3,1,0.337,82,478,441.47,4.465,5,0.397,0.66,1.0,0.464695702830512,0.5361609896511548,0.5368463436364882,0.4037848673840038,0.48537197587553976
EOS-3-33396,Clc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccccn4)n23)cc1,NBNZQILBCJDYQQ-UHFFFAOYSA-N,3,1,0.573,24,850,415.844,3.876,5,0.43,0.74,1.0,0.8488023439106298,0.9319614831060242,0.41343122472757177,0.504566170927284,0.6746903056678775
EOS-3-33397,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)c1,JZPCYWRAVXHQHO-UHFFFAOYSA-N,3,1,0.333,64,365,463.892,4.421,6,0.378,0.68,0.991,0.14864471249400316,0.21737715029812898,0.30645603454184084,0.507761633883901,0.2950598828044685
EOS-3-33398,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)cn5)nnc4C)n23)cn1,OKTVFYWIJLYGPB-UHFFFAOYSA-N,3,1,0.423,7,986,468.481,1.989,5,0.392,0.61,1.0,0.3897950791583853,0.17656432047152354,0.04967103008703996,0.01566890548968542,0.15792483380165856
EOS-3-33399,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)n[nH]2)ccc1F,UHIRDPMQHZSWKS-UHFFFAOYSA-N,3,1,0.494,35,393,415.432,3.645,5,0.455,0.79,0.999,0.5300270714824207,0.41504180659310536,0.6526540333082037,0.6165187444314989,0.5535604139538072
EOS-3-33400,Fc1cnc(-c2nccnc2-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)nc1,NPOOMRUZDXLVTR-UHFFFAOYSA-N,3,1,0.289,86,249,463.44,2.62,6,0.375,0.6,1.0,0.26376704818038516,0.2531440614077171,0.13497190048660132,0.1766585566445069,0.20713539167980263
EOS-3-33401,Cn1nc(-c2nnc3cncc(Oc4ncccc4Cl)n23)cc1-c1ccnc(F)c1,JWTGDVVLUBCIIB-UHFFFAOYSA-N,3,1,0.347,95,956,422.811,3.567,5,0.408,0.69,0.982,0.38291583853060107,0.4284918785552738,0.4746933040915633,0.5146837091357687,0.45019618257830174
EOS-3-33402,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccn5)n4)n23)cn1,LGURKLXRJGIKDN-UHFFFAOYSA-N,3,1,0.351,76,423,408.425,2.67,5,0.487,0.8,0.995,0.1486532794188198,0.07136248372284285,0.14411280926598588,0.10666678089233089,0.11769883832499485
EOS-3-33403,COc1ncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cccnc1,JWKNJZQMDOCIQM-UHFFFAOYSA-N,3,1,0.5,35,657,459.897,3.927,5,0.337,0.75,1.0,0.7554571311082174,0.7677335343705024,0.5434600095949558,0.47343396614351313,0.6350211603042971
EOS-3-33404,Cn1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)n2)n1,PTLIYXSODJYMRG-UHFFFAOYSA-N,3,1,0.474,71,425,469.444,2.485,6,0.39,0.62,0.99,0.5168854088136523,0.5044376670550339,0.2268007675964636,0.2016654101843602,0.3624473134123775
EOS-3-33405,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)nn1,LBKTVPRJVMSBDF-UHFFFAOYSA-N,3,1,0.506,56,415,464.493,2.961,6,0.37,0.62,1.0,0.2934857103694058,0.19827290795695976,0.24120176821328215,0.16870845041463917,0.22541720923857173
EOS-3-33406,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cn1,IZEHRWKGKRXUDP-UHFFFAOYSA-N,3,1,0.388,80,816,464.453,1.808,6,0.355,0.62,1.0,0.3117418271537249,0.19369817010485915,0.07555170995819341,0.05445137413474059,0.1588607703378795
EOS-3-33407,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)cc5)n34)nc2)nn1,HSWKOKXYOMQLEW-UHFFFAOYSA-N,3,1,0.321,38,787,463.892,4.421,6,0.378,0.67,1.0,0.2260468782125968,0.3385820026043451,0.6317164690562675,0.6744054554177232,0.4676877013227332
EOS-3-33408,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)cnn1,PZWOPTTUXIYHRC-UHFFFAOYSA-N,3,1,0.28,99,953,434.427,1.896,6,0.404,0.58,0.531,0.03253718045370434,0.008815365636351175,0.02740559248852032,0.04011890891645535,0.027219261873757793
EOS-3-33409,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)nc2)c(F)c1,PGQCRPQYZOSENT-UHFFFAOYSA-N,3,1,0.316,32,20,464.439,4.651,6,0.375,0.72,1.0,0.2962099924611062,0.4505602768830101,0.6991038996641765,0.7433006647933658,0.5472937084504146
EOS-3-33410,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5csc(C)n5)cn4)n23)cn1,MYUKOUNZBDKEJY-UHFFFAOYSA-N,3,1,0.519,4,205,415.482,3.901,5,0.43,0.79,1.0,0.3737320951271332,0.4010263175930368,0.28125214173120416,0.18509697758892468,0.3102768830100747
EOS-3-33411,c1ccc(-c2nncnc2COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nc1,BKMVVXSLIRCZHI-UHFFFAOYSA-N,3,1,0.5,40,8,450.422,2.667,6,0.369,0.64,1.0,0.4319614831060243,0.30946302515249124,0.10664964704269755,0.1137173600164485,0.2404478788294154
EOS-3-33413,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)nn2C)cn1,PLOYLLYMXJCUPY-UHFFFAOYSA-N,3,1,0.447,31,569,431.435,2.446,5,0.403,0.62,1.0,0.3851689397573847,0.2787677335343705,0.1820043177301076,0.15538688232472073,0.2503319683366459
EOS-3-33414,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)nc1,XIOQFALJAOAKCN-UHFFFAOYSA-N,3,1,0.409,13,110,420.354,4.458,5,0.427,0.69,1.0,0.707242478240011,0.6995665136042766,0.9152131450894387,0.9193252690014393,0.8103368514837914
EOS-3-33415,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccs4)n23)cn1,WUHYGYBGZJRTLF-UHFFFAOYSA-N,3,1,0.551,87,579,418.486,3.148,5,0.401,0.72,1.0,0.3983791378246864,0.30443424028510724,0.06300116510177507,0.05050202179425673,0.20407914125145638
EOS-3-33416,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)ncn1,IAETYCOJSHWRIX-UHFFFAOYSA-N,3,1,0.517,4,10,436.838,3.353,5,0.417,0.59,1.0,0.5324001096566376,0.7887396340209718,0.5703430196696594,0.5892416558152286,0.6201811047906244
EOS-3-33417,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)c(F)c1,IONSAZNTVSQOKT-UHFFFAOYSA-N,3,1,0.311,22,681,474.41,3.252,6,0.386,0.64,0.83,0.10010451648276335,0.3145432115687753,0.5830477691727778,0.642793502844219,0.41012225001713387
EOS-3-33418,Fc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(Cl)nc5)n34)cn2)nn1,MDNXRNPPMJRTQM-UHFFFAOYSA-N,3,1,0.366,85,260,419.811,2.817,5,0.409,0.61,0.793,0.34845966691796315,0.4375728188609417,0.3250119936947433,0.42314611746967307,0.3835476492358303
EOS-3-33419,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cnn(C)c5)n4)n23)ccc1Cl,JEDHTZWOCCGMGV-UHFFFAOYSA-N,3,1,0.506,37,563,463.904,4.309,5,0.373,0.71,1.0,0.6404804331437187,0.7718285244328695,0.6638167363443218,0.6541789459255706,0.6825761599616201
EOS-3-33420,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccc5F)c4)n23)cc1,VUTYBEMFQFTMSI-UHFFFAOYSA-N,3,1,0.459,89,656,480.463,3.22,5,0.351,0.78,1.0,0.6917791789459256,0.39585189500376944,0.6172469330409156,0.4976869302994997,0.5506412343225275
EOS-3-33421,CCn1nc(C(C)(F)F)cc1Cc1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,YAHDQGUULLNGIW-UHFFFAOYSA-N,3,1,0.409,66,334,411.416,2.809,4,0.525,0.67,1.0,0.1486618463436365,0.14111438558015216,0.4573881159618943,0.24280378315399903,0.2474920327599205
EOS-3-33422,Fc1cc(-c2cnc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)cn2)ccn1,CZQBPIKMLCWDJX-UHFFFAOYSA-N,3,1,0.351,45,575,421.798,4.242,5,0.405,0.71,1.0,0.3064389006922075,0.5361695565759715,0.8784439037763004,0.9182287026249057,0.6598202659173463
EOS-3-33423,COc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3F)n12,IXRKQBKLDBYNAO-UHFFFAOYSA-N,3,1,0.534,36,460,449.45,2.09,5,0.372,0.61,1.0,0.5018504557604002,0.4858217394284148,0.10939962990884793,0.07014598039887603,0.29180445137413474
EOS-3-33424,Cc1cnc(COc2cncc3nnc(-c4cc(F)cc(-c5cccnc5)c4)n23)cn1,KVZMUFTXNYAZEV-UHFFFAOYSA-N,3,1,0.6,4,439,413.416,3.67,5,0.434,0.77,1.0,0.516893975738469,0.5502450140497567,0.6021862792132137,0.5640291960797752,0.5583386162703036
EOS-3-33425,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)ccn2)n(C)n1,DLDZNUFWQCWJQD-UHFFFAOYSA-N,3,1,0.451,7,606,447.89,3.226,5,0.404,0.6,1.0,0.34624083339044615,0.38198204372558425,0.14412137619080254,0.1427763689945857,0.25378015557535466
EOS-3-33426,Cc1noc(-c2ncc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cc2F)n1,VYFGRIRIWQMKQS-UHFFFAOYSA-N,3,1,0.62,16,335,421.367,3.402,5,0.425,0.64,1.0,0.8791720923857173,0.7630902611198684,0.4713093687889795,0.48239496950174765,0.6489916729490782
EOS-3-33427,Cn1nc(C(F)F)nc1-c1ccc(-c2nnc3cncc(-c4cnc(Cl)c(F)c4)n23)nc1,WWXYEXIMPMRZEK-UHFFFAOYSA-N,3,1,0.299,50,243,457.807,3.774,5,0.379,0.67,0.046,0.2067798642999109,0.3912000548283188,0.5569700500308409,0.5892502227400452,0.436050047974779
EOS-3-33428,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)c1,VKMRQZFTCPZLOO-UHFFFAOYSA-N,3,1,0.446,18,481,432.394,2.938,5,0.377,0.61,1.0,0.7194589130285792,0.522436776094853,0.5434685765197724,0.5446593790692893,0.5825059111781234
EOS-3-33429,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)nc1F,YSRNKYLLTQICOE-UHFFFAOYSA-N,3,1,0.426,18,814,432.394,2.938,5,0.377,0.61,0.961,0.694991775752176,0.6360770337879514,0.384851963539168,0.4070745665136043,0.530748834898225
EOS-3-33430,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(F)c1,GUKMYGKRDYWMFB-UHFFFAOYSA-N,3,1,0.442,26,208,450.865,3.836,5,0.388,0.64,1.0,0.5695634295113426,0.612440888218765,0.536854910561305,0.5376944691933384,0.5641384243711878
EOS-3-33431,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5nccc(C(F)F)n5)[nH]4)n23)nc1,QHBILMZROPSNPX-UHFFFAOYSA-N,3,1,0.264,99,407,472.423,2.766,6,0.401,0.63,0.356,0.1569374957165376,0.14850764169693648,0.24468850661366595,0.22824001096566376,0.19459341374820094
EOS-3-33432,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5F)cs4)n23)nc1,LPLYJQHMXLOTLQ-UHFFFAOYSA-N,3,1,0.46,44,267,422.42,4.167,5,0.423,0.75,1.0,0.6006356658213967,0.6455606195600028,0.5830563360975944,0.6514289630594202,0.6201703961346036
EOS-3-33433,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cncnn5)s4)n23)nc1,BQEZKEAURVDRBK-UHFFFAOYSA-N,3,1,0.245,99,286,440.456,1.957,6,0.4,0.57,0.996,0.032545747378521006,0.03778870536632171,0.02331060242615311,0.027585497909670343,0.03030763827016654
EOS-3-33434,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,OYWZVXPRNCFHGD-UHFFFAOYSA-N,3,1,0.617,72,386,413.416,3.404,5,0.421,0.78,1.0,0.8667072167774655,0.8942670139126859,0.6258395586320334,0.6042509080940306,0.7477661743540539
EOS-3-33435,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ccn4)n23)c1F,LLYUIAMRHJCPCL-UHFFFAOYSA-N,3,1,0.505,19,692,465.851,4.196,5,0.371,0.68,0.998,0.792680419436639,0.7589181687341512,0.8118617641011583,0.834512713316428,0.7994932663970941
EOS-3-33436,Fc1ccnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)c1,NWNFMNYNAYRSFG-UHFFFAOYSA-N,3,1,0.319,30,93,445.461,5.116,6,0.375,0.78,0.985,0.22050407785621273,0.3288328421629772,0.6828010417380577,0.7460506476595161,0.49454715235419094
EOS-3-33437,Fc1cccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,TYULBHYCIZZAPR-UHFFFAOYSA-N,3,1,0.39,93,107,445.461,5.116,6,0.375,0.78,1.0,0.30908608046055785,0.45056884380782675,0.7326862449455144,0.8243352066342265,0.5791690939620314
EOS-3-33438,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cc(Cl)c(-c5nc(C)no5)nn4)n23)cc1,YDHMBIPHZDIMBH-UHFFFAOYSA-N,3,1,0.394,74,333,476.888,2.565,5,0.374,0.72,1.0,0.2177455280652457,0.15639777945308753,0.0415153176615722,0.023858885614419848,0.10987937769858132
EOS-3-33439,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccnn4CC)n23)c1,RFWLCXKSYRBNKY-UHFFFAOYSA-N,3,1,0.468,26,448,432.463,3.609,5,0.39,0.65,1.0,0.22314269069974643,0.2736275786443698,0.2993454869440066,0.24281235007881571,0.25973202659173467
EOS-3-33440,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1Cl,JTIYUHDPAPWGKU-UHFFFAOYSA-N,3,1,0.554,72,889,447.861,4.057,5,0.387,0.61,1.0,0.9657751353574121,0.9480159002124597,0.7547032417243507,0.7787420327599205,0.8618090775135356
EOS-3-33441,COc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3cc(F)ncc3F)n12,WSUGCJGRULJEFP-UHFFFAOYSA-N,3,1,0.43,55,242,448.393,2.904,5,0.362,0.62,1.0,0.822262010828593,0.6602700294702214,0.43577376464944145,0.3434737166746625,0.5654448804057296
EOS-3-33442,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)nc5)n34)cn2)n1C,SOERAVCDYRTNAI-UHFFFAOYSA-N,3,1,0.31,86,790,446.478,3.414,6,0.405,0.57,1.0,0.1677403879103557,0.06757590295387568,0.22680933452128024,0.18785552737989172,0.16249528819135084
EOS-3-33443,Cc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5cncn5C)ccn4)n23)n1,OKMAIHHNQJWMCG-UHFFFAOYSA-N,3,1,0.4,7,211,416.42,3.008,5,0.435,0.69,1.0,0.37837536837776714,0.26862449455143583,0.3886042766088685,0.3089832773627579,0.33614685422520735
EOS-3-33444,Cc1ccc(-c2nnc3cncc(Cc4nc(-c5ncc(F)cn5)ccc4F)n23)cn1,GVRUXSVCKNGAHT-UHFFFAOYSA-N,3,1,0.366,85,260,416.395,3.216,5,0.444,0.64,1.0,0.37612226715098346,0.4416335412240422,0.38486053046398466,0.4103728325680214,0.4032472928517579
EOS-3-33445,Cc1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cc5F)n34)cn2)n[nH]1,KRZHAAWDVWTYJS-UHFFFAOYSA-N,3,1,0.276,86,72,452.457,3.486,6,0.435,0.58,0.769,0.19032280172709204,0.25315262833253377,0.35108114591186346,0.34348228359947913,0.28450971489274207
EOS-3-33446,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1,FMSGSAIRAPMXFI-UHFFFAOYSA-N,3,1,0.338,64,885,452.865,4.619,6,0.381,0.71,1.0,0.2797015283393873,0.3626036597902817,0.5023901720238503,0.6196028373654993,0.44107454937975465
EOS-3-33447,c1cc(-c2nc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)cs2)ccn1,LOXVOEVXVPMDBS-UHFFFAOYSA-N,3,1,0.316,38,193,423.465,3.762,6,0.459,0.64,1.0,0.045293331505722706,0.12703036118155028,0.3139178260571585,0.34028682064286203,0.20663208484682338
EOS-3-33448,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)n5)cn4)n23)c(F)c1,DKKTYHHLFJUTIK-UHFFFAOYSA-N,3,1,0.292,98,219,469.419,2.779,6,0.358,0.62,0.91,0.20678843122472756,0.30947159207730796,0.28857686244945513,0.37567678706051677,0.29512841820300184
EOS-3-33449,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cnccn6)s5)n34)cn2)cn1,ZEOLPKAZYKBMFL-UHFFFAOYSA-N,3,1,0.455,80,277,466.49,3.136,6,0.361,0.69,1.0,0.36219244739908163,0.45516071550956066,0.12081077376464944,0.1112929202933315,0.26236421424165585
EOS-3-33450,Cc1nccc(OCc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4F)n23)c1Cl,DUSPFFPXPNTCTA-UHFFFAOYSA-N,3,1,0.382,14,487,449.877,4.267,5,0.398,0.66,1.0,0.4993917483380166,0.48583030635323143,0.7402251387841821,0.6974590500993764,0.6057265608937016
EOS-3-33451,Cc1cccnc1-c1cc(-c2nnc3cncc(OCc4ncn(C)n4)n23)cc(Cl)n1,ZIVWFBKFKJCYGE-UHFFFAOYSA-N,3,1,0.43,36,486,433.863,2.918,5,0.389,0.62,0.99,0.35063566582139677,0.4505774107326434,0.11498526488931533,0.12520560619560003,0.2603509869097389
EOS-3-33452,COCc1cc(C)c(Cl)cc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3F)n12,TUUYFVMEUCYHLY-UHFFFAOYSA-N,3,1,0.315,61,917,464.892,3.896,5,0.389,0.69,0.999,0.3622010143238983,0.44633678294839285,0.6287694469193338,0.6541875128503872,0.522873689260503
EOS-3-33453,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)n1,IWOLETPQNHBINH-UHFFFAOYSA-N,3,1,0.529,58,56,418.844,4.116,5,0.383,0.8,1.0,0.6890805976286752,0.7589267356589678,0.47131793571379615,0.5045747378521006,0.6059750017133849
EOS-3-33454,Fc1cc(COc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)ncc1Cl,VUZGEYJHLKQUFS-UHFFFAOYSA-N,3,1,0.462,46,238,434.822,3.41,5,0.414,0.57,0.999,0.5637807552600919,0.6026488931533137,0.6141285724076485,0.6398978822561853,0.6051140257693098
EOS-3-33455,Cc1cnc(-c2nnc3cncc(OCCc4cc(Cl)c(-c5ccccc5)nn4)n23)cn1,PLEXZPHXXSPZQI-UHFFFAOYSA-N,3,1,0.435,19,54,444.886,3.622,5,0.391,0.6,0.997,0.5777619765608937,0.5981683914741964,0.17878315399904052,0.2576416969364677,0.4030888047426496
EOS-3-33456,Cc1nc(-c2ccccc2Cl)c(-c2cncc3nnc(-c4ccc(CO)c(F)c4)n23)n1C,QQSATCTZUGUEBB-UHFFFAOYSA-N,3,1,0.346,96,140,448.889,4.452,5,0.439,0.67,0.999,0.3484682338427798,0.4463453498732095,0.7299962305530807,0.7948135837159893,0.5799058494962648
EOS-3-33457,Fc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccccn1,PWXZTHJLUKLDOP-UHFFFAOYSA-N,3,1,0.457,11,769,447.861,4.057,5,0.362,0.69,0.992,0.8168734151189089,0.8284987320951271,0.5130388595709684,0.5736841203481599,0.6830237817832912
EOS-3-33458,Fc1ccc(-c2nnc3cncc(Oc4cnnc(-c5cccc(F)c5F)c4)n23)cc1F,QSHVBZFKBPLRON-UHFFFAOYSA-N,3,1,0.46,34,236,438.344,4.597,5,0.382,0.69,1.0,0.9336663011445412,0.9434754300596258,0.9726543759851963,0.9749931464601467,0.9561973134123775
EOS-3-33459,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cc(F)ccc4-c4ccncc4)n23)c(F)c1,BPBSSAZLFMZJHE-UHFFFAOYSA-N,3,1,0.341,3,192,466.455,4.594,6,0.378,0.72,1.0,0.22894249880063053,0.3819906106504009,0.7996110616133233,0.8264169693646769,0.5592402851072579
EOS-3-33460,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5F)nc4)n23)cc1,WKWCPNULPSSRMB-UHFFFAOYSA-N,3,1,0.306,9,192,466.455,4.594,6,0.378,0.72,1.0,0.23709821122609828,0.31984613803029266,0.7823744088821877,0.792474813241039,0.5329483928449044
EOS-3-33461,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ncc4F)n23)nn1,DURBPTMDEBVYRA-UHFFFAOYSA-N,3,1,0.385,54,411,432.394,3.204,5,0.39,0.6,1.0,0.6288808169419505,0.5639777945308752,0.5862260982797615,0.5476920704543897,0.5816941950517442
EOS-3-33462,Clc1cnc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)cnn4)n23)s1,ZAEIRIZMWCCEHS-UHFFFAOYSA-N,3,1,0.436,65,65,437.876,2.77,5,0.395,0.61,1.0,0.49186142142416556,0.5087810979370845,0.04152388458638887,0.07790761428277705,0.28001850455760396
EOS-3-33463,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)ncn1,SZPVACFBCNEMNY-UHFFFAOYSA-N,3,1,0.463,58,262,429.419,2.502,5,0.375,0.66,1.0,0.7101895003769447,0.7090758001507779,0.134980467411418,0.11372592694126517,0.41699292372010144
EOS-3-33464,Cc1nc(F)ccc1-c1ccnc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,QLYIHSSZXIMCII-UHFFFAOYSA-N,3,1,0.438,18,840,445.433,3.851,5,0.367,0.66,1.0,0.7374580220683983,0.6124494551435816,0.6991124665889932,0.6457919265300528,0.6737029675827564
EOS-3-33465,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1nccn1C,MTHRQWMOZNOCPP-UHFFFAOYSA-N,3,1,0.396,31,551,463.889,2.66,5,0.359,0.64,1.0,0.4893256116784319,0.35314577479268044,0.07346138030292647,0.06043965458159139,0.24409310533890757
EOS-3-33466,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)n1,RTHQQWNSQBVTPS-UHFFFAOYSA-N,3,1,0.442,44,531,461.888,4.366,5,0.347,0.74,1.0,0.8092231512576246,0.7846018093345213,0.5168340072647523,0.5832191076691111,0.6734695188815023
EOS-3-33467,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)c4)n23)ncc1Cl,FKBGZNUVZVVYER-UHFFFAOYSA-N,3,1,0.536,73,469,451.824,4.154,5,0.396,0.63,1.0,0.855424576793914,0.8863511753820849,0.8835240901925845,0.8879960249468851,0.8783239668288672
EOS-3-33468,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cncs5)cc(F)n4)n23)c1,UGBBNBPCSCLMHJ-UHFFFAOYSA-N,3,1,0.447,18,367,437.435,3.605,5,0.375,0.64,0.999,0.5666506750736755,0.4858388732780481,0.5058683434994174,0.527851072578987,0.521552241107532
EOS-3-33469,Fc1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)ccn1,XCQVTPINPCFZLW-UHFFFAOYSA-N,3,1,0.438,55,875,434.822,3.41,5,0.387,0.6,1.0,0.592351449523679,0.8388647111232952,0.6614008635460216,0.6862449455143582,0.6947154924268385
EOS-3-33470,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnn5)cc4F)n23)nn1)N1CCOCC1,BSFLPEBLGFVPOI-UHFFFAOYSA-N,3,1,0.402,52,229,484.455,1.712,6,0.371,0.78,1.0,0.11304913988074841,0.048660132958673157,0.005559934206017408,0.027594064834487012,0.0487158179699815
EOS-3-33471,Cc1nnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)n1C,VAXHPDOVADUULB-UHFFFAOYSA-N,3,1,0.388,63,306,406.425,1.85,5,0.543,0.88,1.0,0.18182441230895757,0.16006442327462134,0.012970324172435063,0.028604961962853816,0.09586603042971695
EOS-3-33472,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cn2)ccn1,CLKFWXVMXFHNQW-UHFFFAOYSA-N,3,1,0.333,69,174,433.5,5.039,6,0.387,0.76,1.0,0.05995133986704133,0.16399664176547188,0.6470940991021863,0.6514375299842369,0.3806199026797341
EOS-3-33473,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)cn4)n23)cc1,GWUCIBPDSUCXDR-UHFFFAOYSA-N,3,1,0.404,63,334,405.849,2.718,5,0.548,0.85,1.0,0.22605544513741346,0.21738571722294564,0.114993831814132,0.20483517236652732,0.1908175416352546
EOS-3-33474,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)s1,LCCHPFIMUXXVBO-UHFFFAOYSA-N,3,1,0.531,65,981,416.47,3.03,5,0.416,0.75,1.0,0.5748492221232266,0.517793502844219,0.07346994722774312,0.07015454732369268,0.3090668048797204
EOS-3-33475,N#Cc1ccc(-c2nnc3cncc(-c4nncn4-c4cc(F)cc(F)c4Cl)n23)c(F)c1,SOTWXTPKSOHGJO-UHFFFAOYSA-N,3,1,0.354,22,252,452.787,3.981,5,0.384,0.63,1.0,0.1455434857103694,0.4416421081488589,0.9457884997601261,0.9713693372626961,0.6260858577205126
EOS-3-33476,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)s2)nn1,NXPPMDPLHJYWGV-UHFFFAOYSA-N,3,1,0.26,76,176,449.503,4.137,6,0.395,0.66,0.883,0.10772051264478102,0.08185696662326092,0.1413114248509355,0.17138133095743951,0.12556755876910425
EOS-3-33477,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,YCVJWDJCLHXGIC-UHFFFAOYSA-N,3,1,0.364,46,211,450.865,3.836,5,0.388,0.62,1.0,0.5044119662805839,0.38653964772805155,0.6172554999657323,0.5953841409087793,0.5258978137207868
EOS-3-33478,COc1ncc(-c2cn(C)nc2C)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,IBHCDROTHARUHK-UHFFFAOYSA-N,3,1,0.529,36,677,462.901,3.531,5,0.377,0.64,1.0,0.4694417791789459,0.6124580220683983,0.19187341511890893,0.1713898978822562,0.3612907785621273
EOS-3-33479,Cc1cnc(C#N)cc1COc1cncc2nnc(-c3cc(-c4nccn4C)ccn3)n12,XYLFIFUEMVLIFS-UHFFFAOYSA-N,3,1,0.4,7,62,423.44,2.741,5,0.423,0.61,1.0,0.4004437667055034,0.21246830237817832,0.35108971283668017,0.2454766636967994,0.3023696114042903
EOS-3-33480,COCc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(C)nn5)n34)c2)cn1,TVCTZFFMSGWTGD-UHFFFAOYSA-N,3,1,0.473,4,506,458.457,3.211,5,0.363,0.62,1.0,0.5479490781988897,0.4551692824343774,0.33591768898636143,0.25765026386128437,0.3991715783702282
EOS-3-33481,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cn2)cn1,DKEKSSOKFXGXNJ-UHFFFAOYSA-N,3,1,0.5,59,109,449.396,3.948,5,0.375,0.68,1.0,0.8667157837022822,0.8917483380165856,0.8678123500788157,0.8166249742992255,0.8607253615242272
EOS-3-33482,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ccn2)nn1,QPSZHQABUAGITK-UHFFFAOYSA-N,3,1,0.659,19,360,461.888,4.366,5,0.371,0.7,1.0,0.8921167157837023,0.8671098622438489,0.7090929340004112,0.7057175656226441,0.7935092694126517
EOS-3-33483,Cn1nc(-c2nnc3cncc(OCCc4cnc(C#N)cn4)n23)cc1-c1ccccn1,BYQMBDJVAHDSEF-UHFFFAOYSA-N,3,1,0.435,31,477,424.428,1.87,5,0.4,0.64,0.997,0.39838770474950314,0.18082208210540746,0.07985230621616064,0.07617709546981016,0.1838097971352204
EOS-3-33484,COc1cc(-c2ncnn2C)ccc1-c1nnc2cncc(OCCc3nn(C)cc3Cl)n12,ACGMTMHAGTVETK-UHFFFAOYSA-N,3,1,0.478,36,460,465.905,2.604,5,0.36,0.65,1.0,0.404632992940854,0.44165067507367556,0.11200397505311493,0.09239428414776232,0.2626704818038517
EOS-3-33485,COCCn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)cn1,SBXBRTQGGUGOFH-UHFFFAOYSA-N,3,1,0.444,92,205,471.481,1.769,5,0.339,0.71,1.0,0.16774895483517235,0.059994174491124666,0.09635220341306285,0.043836954286889177,0.09198307175656226
EOS-3-33486,Cc1ncc(-c2nnc3cncc(OCc4cncc(Cl)c4-c4nn[nH]n4)n23)cn1,DLYCHJZNNRYIDC-UHFFFAOYSA-N,3,1,0.418,51,48,421.812,1.697,5,0.444,0.6,0.999,0.5894558289356453,0.5889161126721952,0.08712562538551162,0.11607326434103214,0.34539270783359605
EOS-3-33488,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)nc1,BYVJYLIXGALUNS-UHFFFAOYSA-N,3,1,0.467,7,930,451.372,3.089,5,0.384,0.6,0.999,0.6710043862655062,0.7846103762593379,0.5862346652045781,0.5009851963539168,0.6357086560208347
EOS-3-33489,Cc1ccc(-c2nnc3cncc(-c4c(-c5ccc(F)cc5)nc(Cl)n4C)n23)cn1,LFTSGVSSKVTBII-UHFFFAOYSA-N,3,1,0.397,96,140,419.851,4.355,5,0.434,0.76,1.0,0.245048317455966,0.45517784935919403,0.576879583304777,0.6656671921047221,0.4856932355561648
EOS-3-33490,Clc1cnc(COc2cncc3nnc(-c4cnc(-c5ccnnc5)nc4)n23)nc1,RQTXGQDGUBWZPR-UHFFFAOYSA-N,3,1,0.429,51,48,418.808,2.061,5,0.418,0.62,1.0,0.5748577890480433,0.5686210677815091,0.11500239873894867,0.14278493591940236,0.35031654787197586
EOS-3-33491,CC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnn(C)n5)c4)n23)cc1F,IFYHVMYGEFODGB-UHFFFAOYSA-N,3,1,0.349,61,917,414.404,2.991,5,0.416,0.76,1.0,0.22895106572544718,0.2377835652114317,0.3396357343567953,0.30899184428757454,0.2788405523953122
EOS-3-33492,OCc1ccc(-c2nnc3cncc(OCc4nccc(-c5ncccn5)n4)n23)cc1,DVKGOAZOJQEFFI-UHFFFAOYSA-N,3,1,0.511,89,770,412.413,2.11,5,0.446,0.78,1.0,0.737466588993215,0.49043074497978206,0.20211089027482695,0.16596703447330546,0.3989938146802824
EOS-3-33493,CCOc1cc(F)ccc1-c1nnc2cncc(-c3cnnc(-c4ccccc4)n3)n12,BIOSUQJRSXEUCU-UHFFFAOYSA-N,3,1,0.429,96,697,413.416,3.848,5,0.432,0.8,1.0,0.4818723870879309,0.5545884449318073,0.4781200740182304,0.4914073744088822,0.5014970701117127
EOS-3-33494,CCn1c(C)nc(-c2ccc(F)cc2O)c1-c1cncc2nnc(-c3ccc(C)nc3)n12,NEIQQJAPCAVPRF-UHFFFAOYSA-N,3,1,0.341,82,336,429.459,4.198,5,0.46,0.68,0.99,0.29621855938592284,0.4056867246933041,0.2812607086560208,0.2932458364745391,0.3191029573024467
EOS-3-33495,c1cc(-c2cncnc2)nc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)c1,CXQVJMNRCRUYGN-UHFFFAOYSA-N,3,1,0.291,38,170,417.436,3.7,6,0.466,0.68,0.99,0.07689671715441025,0.0914690562675622,0.45030326913851004,0.44521451579740934,0.26597088958947296
EOS-3-33496,COCc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)nn2C)cn1,YTCHSMGCLLBGTA-UHFFFAOYSA-N,3,1,0.489,95,956,466.864,3.713,5,0.373,0.68,1.0,0.4694503461037626,0.42411417997395656,0.4887687615653485,0.48844321842231514,0.4676941265163457
EOS-3-33497,Cc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)s1,KNCOBVHVCUKXNA-UHFFFAOYSA-N,3,1,0.409,46,128,420.433,3.126,5,0.427,0.64,1.0,0.427635186073607,0.4196251113700226,0.18201288465492427,0.18510554451374134,0.3035946816530738
EOS-3-33498,Cc1cnc(-c2nnc3cncc(OCc4cncc(-c5ncccc5F)c4)n23)cn1,TZJFJGGDYQPITD-UHFFFAOYSA-N,3,1,0.43,7,62,414.404,3.065,5,0.432,0.73,1.0,0.6583339044616544,0.5361781235007882,0.3959803988760195,0.3630234391062984,0.48837896648619017
EOS-3-33499,COc1ncc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1cnc(C)nc1,GUWOBELITFZTNK-UHFFFAOYSA-N,3,1,0.465,2,36,432.469,2.996,5,0.399,0.65,1.0,0.36681001987526557,0.24317216092111577,0.15627784250565416,0.07618566239462682,0.21061142142416556
EOS-3-33500,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5cc(F)cnn5)n4)n23)nc1,SSUZBXFJWRQHIK-UHFFFAOYSA-N,3,1,0.245,99,892,456.38,1.959,6,0.387,0.55,0.711,0.023173531629086423,0.1373706394352683,0.14131999177575216,0.23108423000479747,0.1332370982112261
EOS-3-33501,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)nc1,ONUZDACOPCHHRV-UHFFFAOYSA-N,3,1,0.523,2,875,416.832,3.271,5,0.43,0.68,1.0,0.45985539030909467,0.5839644301281612,0.48175245014049756,0.5111027345624015,0.5091687512850387
EOS-3-33503,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(Oc5ccccc5)n34)c(Cl)c2)[nH]1,DCFQGTFJZDZLBU-UHFFFAOYSA-N,3,1,0.494,13,374,430.859,3.81,5,0.447,0.77,1.0,0.5834418477143445,0.6404890000685354,0.4467394284147762,0.4579535329997944,0.5321559522993626
EOS-3-33504,Clc1ccc(-c2cnc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)cn2)cc1,TVTKTTNBFYCTEC-UHFFFAOYSA-N,3,1,0.482,73,434,451.277,3.924,5,0.371,0.65,1.0,0.620356726749366,0.82473785210061,0.5669590843670756,0.6514460969090535,0.6658749400315264
EOS-3-33505,CCn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)c(Cl)c1,AYXJOJBVOCTGOO-UHFFFAOYSA-N,3,1,0.478,20,658,447.89,3.135,5,0.374,0.62,1.0,0.35773764649441436,0.46395038037146186,0.15333082036872045,0.2016739771091769,0.2941732060859434
EOS-3-33507,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ncn2)n1,ZBUSJNUHGANONE-UHFFFAOYSA-N,3,1,0.523,4,32,415.392,2.46,5,0.427,0.66,1.0,0.6979387978891097,0.7760862860667535,0.2128452470701117,0.2339541498183812,0.48020612021108905
EOS-3-33509,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)s4)n23)cc1,SRDFNONWPCBYCR-UHFFFAOYSA-N,3,1,0.612,97,850,420.885,4.542,5,0.415,0.75,1.0,0.7194674799533959,0.8834983894181344,0.4467479953395929,0.544667945994106,0.6485954526763074
EOS-3-33510,Fc1ccc(F)c(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)ns4)n23)c1,QFNGVXDFGFSKLJ-UHFFFAOYSA-N,3,1,0.364,45,575,427.827,4.303,5,0.399,0.75,0.986,0.23421115756288122,0.4953481598245494,0.6379617572476184,0.7991998492221233,0.5416802309642931
EOS-3-33511,Fc1ccc(Cc2cncc3nnc(-c4ccc(F)cc4-c4ccnc(F)c4)n23)nc1,WEKOLFAYUHMZFS-UHFFFAOYSA-N,3,1,0.354,14,358,418.382,4.256,5,0.408,0.73,1.0,0.49940031526283324,0.640497566993352,0.9141251456377218,0.9308734836543074,0.7462241278870536
EOS-3-33512,Cn1cc(-c2cnc(F)c(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)c2)cn1,IUURRZMAMDHZLL-UHFFFAOYSA-N,3,1,0.322,42,714,466.455,4.594,6,0.353,0.79,1.0,0.12953190322801728,0.24318072784593242,0.8319426358714276,0.8324566513604277,0.5092779795764513
EOS-3-33513,Fc1ccccc1-c1ncoc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,RAOCEIMVZPXDAE-UHFFFAOYSA-N,3,1,0.346,32,693,425.387,3.433,6,0.456,0.58,1.0,0.2962271263107395,0.3865482146528682,0.3510982797614968,0.4136368309231718,0.3618776129120691
EOS-3-33514,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)c(OC)c1,DRAQBSAVXFPQJM-UHFFFAOYSA-N,3,1,0.443,36,734,460.473,3.5,5,0.363,0.69,1.0,0.3983962716743198,0.415050373517922,0.2958073469947228,0.18511411143855802,0.3235920259063806
EOS-3-33515,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2Cl)o1,LZRHADNHQYGCGA-UHFFFAOYSA-N,3,1,0.336,3,39,454.881,4.656,6,0.382,0.74,1.0,0.046672606401206226,0.22281714755671303,0.519935234048386,0.580100747035844,0.3423814337605373
EOS-3-33516,FCc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c2)nn1,RBTOJOTXJXKRQS-UHFFFAOYSA-N,3,1,0.483,59,16,449.396,3.97,5,0.387,0.63,1.0,0.5695719964361593,0.665076074292372,0.8155969433212255,0.8035347131793571,0.7134449318072784
EOS-3-33517,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,QFLKJHQFDVYZGQ-UHFFFAOYSA-N,3,1,0.557,26,626,449.877,4.001,5,0.364,0.66,1.0,0.6950003426769926,0.6700705914604893,0.7638784182030018,0.7562452881913508,0.7212986601329585
EOS-3-33518,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)cn1,WNBYPBBQKWXCOK-UHFFFAOYSA-N,3,1,0.378,82,290,409.413,1.728,5,0.463,0.77,1.0,0.07926118840381056,0.048668699883489826,0.14699986292920295,0.11373449386608184,0.09716606127064628
EOS-3-33519,Fc1ncccc1-c1cnc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cn1,AXFKTHIZRJIBKD-UHFFFAOYSA-N,3,1,0.289,94,892,448.425,3.301,6,0.374,0.59,0.884,0.20960694948941128,0.3245579466794599,0.3101569460626414,0.35614419847851414,0.3001165101775067
EOS-3-33520,Fc1nc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,FYCUCCVTZJJQRD-UHFFFAOYSA-N,3,1,0.494,36,338,424.787,2.133,5,0.421,0.6,1.0,0.5324086765814543,0.6360856007127681,0.24469707353848263,0.32415530121307656,0.43433666301144536
EOS-3-33521,Fc1cnc(-c2cc(Cl)nc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)nc1,NJQWFWDRYOKIQG-UHFFFAOYSA-N,3,1,0.396,31,775,450.825,2.242,5,0.355,0.6,0.999,0.6463059420190529,0.612466588993215,0.14132855870056885,0.2165975601398122,0.40417466246316225
EOS-3-33522,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cscn6)cn5)n34)cn2)o1,FKPLYSZOSDQHNX-UHFFFAOYSA-N,3,1,0.271,70,392,439.464,3.73,6,0.404,0.6,1.0,0.09538414090877939,0.137379206360085,0.15628640943047084,0.14762524844081967,0.13416875128503872
EOS-3-33523,Cc1cccc(CCOc2cncc3nnc(-c4cccc(-c5cnc(C)s5)c4)n23)n1,RUPXBJHUDXKADL-UHFFFAOYSA-N,3,1,0.535,15,655,428.521,4.548,5,0.395,0.74,1.0,0.5666592419984923,0.4770920430402303,0.3029778630662737,0.23109279692961415,0.39445548625865257
EOS-3-33524,OCc1cc(-c2cccnc2F)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,XPYDIERZPOSERW-UHFFFAOYSA-N,3,1,0.432,18,840,443.442,2.896,5,0.382,0.64,1.0,0.5834504146391611,0.44635391679802616,0.5168425741895689,0.4703327393598794,0.5042449112466589
EOS-3-33525,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)s5)n34)cn2)nc1,JCTYHYJKQLWRFK-UHFFFAOYSA-N,3,1,0.301,76,368,434.488,4.434,6,0.405,0.69,1.0,0.06521999862929202,0.16400520869028853,0.410021588650538,0.4231546843944898,0.2656003700911521
EOS-3-33526,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)ccn2)c(F)c1,KTOMNHXHNWTSQT-UHFFFAOYSA-N,3,1,0.607,75,583,437.435,3.605,5,0.401,0.63,1.0,0.7612912069083682,0.660278596395038,0.3848690973888013,0.42316325131930643,0.5574005380028786
EOS-3-33527,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cc(Cl)n2)n[nH]1,GMVFHNAGLSDLBH-UHFFFAOYSA-N,3,1,0.567,58,954,433.863,2.95,5,0.406,0.6,1.0,0.5923600164484957,0.7044153930505106,0.11501096566376534,0.1381159618943184,0.38747558426427253
EOS-3-33528,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)cnn5)ccn4)n23)nc1,GSRDSPKNSZCOOM-UHFFFAOYSA-N,3,1,0.424,33,53,457.429,2.116,5,0.407,0.51,0.999,0.4113751627715715,0.2634158042629018,0.2589610033582345,0.17139846480707285,0.27628760879994513
EOS-3-33529,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)nn5)ncc4F)n23)nn1,YSMRAPDNXYJORY-UHFFFAOYSA-N,3,1,0.365,53,587,434.37,1.994,5,0.405,0.54,0.975,0.6800424919470907,0.5502535809745733,0.17879172092385717,0.19062264409567542,0.39992760948529915
EOS-3-33530,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nn1,VWOQLAUNXUMDFG-UHFFFAOYSA-N,3,1,0.426,53,785,445.874,3.017,5,0.363,0.61,1.0,0.5666678089233089,0.5839729970529779,0.262584812555685,0.28131211020492086,0.42363443218422314
EOS-3-33531,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)c2)cn1,QMWZZVLHQWAFCS-UHFFFAOYSA-N,3,1,0.404,31,466,445.874,3.017,5,0.363,0.61,0.967,0.6037368926050305,0.5889246795970119,0.23416832293879788,0.257658830786101,0.4211221814817353
EOS-3-33532,Cn1cncc1-c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)nn1,QPMYGWQCLIUSDM-UHFFFAOYSA-N,3,1,0.326,85,362,420.387,2.3,5,0.426,0.61,0.776,0.20679699814954425,0.1411229525049688,0.2660715509560688,0.27848502501542044,0.2231191316565006
EOS-3-33533,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(C)n5)nnc4C)n23)nn1,VLCRUIGLACDUHY-UHFFFAOYSA-N,3,1,0.365,53,587,426.444,2.333,5,0.413,0.59,0.992,0.37374066205194983,0.2028733465835104,0.040050373517922004,0.02142587896648619,0.15952256527996708
EOS-3-33534,N#Cc1ccc(-c2nnc3cncc(-c4ccnc(-c5cccc(Cl)n5)c4)n23)c(F)c1,RKEZSYPPERWIDY-UHFFFAOYSA-N,3,1,0.373,96,140,427.83,4.579,5,0.391,0.73,1.0,0.41357686244945513,0.6077119457199643,0.9103642656432047,0.9332379549037078,0.716222757179083
EOS-3-33535,Cc1ccc(-c2cc(-c3nnc4cncc(COc5cccnc5)n34)cnc2F)nn1,CIDRBZYSECCELO-UHFFFAOYSA-N,3,1,0.361,85,767,414.404,3.065,5,0.404,0.78,1.0,0.5222226029744363,0.47710060996504694,0.4134397916523885,0.3630320060311151,0.44394875265574674
EOS-3-33536,FC(F)n1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)cn1,KYVKADZAVUSUMY-UHFFFAOYSA-N,3,1,0.472,55,329,454.828,4.072,5,0.381,0.65,1.0,0.4941744911246659,0.5639863614556919,0.8385991364539784,0.7992084161469399,0.6739921012953191
EOS-3-33537,Cn1ccc(-c2cc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)cnn2)n1,IGODUJHSXRXHIZ-UHFFFAOYSA-N,3,1,0.329,94,507,450.441,3.245,6,0.402,0.55,0.931,0.14867041326845315,0.2531611952573504,0.3996213419231033,0.44204475361524226,0.31087442601603726
EOS-3-33538,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cn(C)nc4C)n23)nc1,RHMOOWATNYIPLU-UHFFFAOYSA-N,3,1,0.402,31,460,429.488,2.733,5,0.392,0.64,0.999,0.18740148036460832,0.06758446987869235,0.0711654444520595,0.04012747584127202,0.09156971763415804
EOS-3-33539,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccccc4Oc4ccccc4)n23)cc1,ZQJIOPDIYNVNHU-UHFFFAOYSA-N,3,1,0.376,93,960,445.486,5.046,6,0.369,0.79,1.0,0.20961551641422796,0.04508772531012268,0.5634552121170585,0.5608165992735248,0.34474376327873346
EOS-3-33540,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nn5)ccn4)n23)ccn1,QJCYGNVVCHXNSV-UHFFFAOYSA-N,3,1,0.44,18,88,432.394,2.938,5,0.377,0.6,1.0,0.7467103008703996,0.5686296347063258,0.5434771434445891,0.5243814680282366,0.5957996367623877
EOS-3-33541,Cc1nnc(-c2ccc(F)c(-c3nnc4cncc(Oc5ccc(-c6ccn(C)n6)cn5)n34)c2)o1,JHDVHBCDZSADJS-UHFFFAOYSA-N,3,1,0.357,67,622,469.44,3.877,6,0.37,0.71,1.0,0.43197005003084094,0.49989719690219997,0.369688506613666,0.29030738126242206,0.3979657837022822
EOS-3-33542,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc(Cl)n1,ODHWTLQZXUYLJN-UHFFFAOYSA-N,3,1,0.448,58,602,468.308,3.305,5,0.349,0.69,1.0,0.5427403879103557,0.5313635117538208,0.2021194571996436,0.2870776506065383,0.3908252518675896
EOS-3-33543,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc(F)n2)n1,WWZCOEDRMZKDLY-UHFFFAOYSA-N,3,1,0.642,36,258,469.387,2.696,5,0.332,0.7,1.0,0.6345521211705846,0.7369268727297649,0.5862432321293949,0.5413097114659722,0.624757984373929
EOS-3-33544,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(F)ccc4F)n23)nc1,ZRQKLSCOZLARJL-UHFFFAOYSA-N,3,1,0.4,63,505,406.396,2.948,5,0.551,0.82,0.993,0.1375676787060517,0.22795730244671372,0.3921938181070523,0.5313892125282709,0.32227700294702216
EOS-3-33545,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2F)cc1=O,IRXXMYIXZWCLOE-UHFFFAOYSA-N,3,1,0.671,91,660,476.899,3.966,5,0.368,0.74,1.0,0.7786649304365705,0.7230227537523131,0.7664484956480022,0.7877458707422383,0.7639705126447811
EOS-3-33546,N#Cc1nc(CCOc2cncc3nnc(-c4cncc(-c5cncnn5)c4)n23)ccc1F,UGZKVRCCIXXVME-UHFFFAOYSA-N,3,1,0.441,87,838,440.402,2.066,5,0.385,0.59,0.999,0.7926889863614557,0.7137105064765952,0.36584195737098213,0.3434908505242958,0.5539330751833322
EOS-3-33547,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccc(C(F)(F)F)nn5)c4)n23)cc1,NJHLCENUIGNNOQ-UHFFFAOYSA-N,3,1,0.56,72,226,464.411,3.945,5,0.385,0.64,1.0,0.9004523336303201,0.7887482009457885,0.8732780481118497,0.7407648550476321,0.8258108594338976
EOS-3-33548,CCc1nnsc1-c1cc(COc2cncc3nnc(-c4cnc(C)cn4)n23)cnn1,SHLACMHKEAUYAX-UHFFFAOYSA-N,3,1,0.43,92,828,432.473,2.34,5,0.394,0.65,0.998,0.17575902953875677,0.15640634637790418,0.010811459118634775,0.008198547049551093,0.08779384552121171
EOS-3-33549,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)c(Cl)c1,JJRVNNYJEZULQD-UHFFFAOYSA-N,3,1,0.437,13,995,436.809,4.972,5,0.395,0.73,1.0,0.740405044205332,0.7887567678706051,0.9236944006579398,0.9411109588102254,0.8484917928860256
EOS-3-33550,COc1ncc(F)cc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccn1,DNAMQHBFQIBQAF-UHFFFAOYSA-N,3,1,0.444,51,196,464.848,3.418,5,0.373,0.64,1.0,0.6950089096018094,0.670079158385306,0.41344835857720513,0.372601261051333,0.5377844219039134
EOS-3-33552,CC(C)(O)c1cnc(-c2nnc3cncc(Cc4cnc(-c5cnccn5)cn4)n23)cn1,VWFYZQHUKTXHSY-UHFFFAOYSA-N,3,1,0.275,7,674,426.444,1.646,5,0.441,0.56,1.0,0.14867898019326983,0.11066753478171476,0.12911212391200055,0.05309780001370708,0.11038910972517306
EOS-3-33553,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)c(F)c2)n(C)n1,BXCFMNUIOPIAIG-UHFFFAOYSA-N,3,1,0.571,37,619,434.5,4.322,5,0.398,0.68,1.0,0.6648019326982386,0.6309197450483175,0.5368634774861216,0.47034130628469606,0.5757316153793435
EOS-3-33554,OCc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4Cl)n23)nc1,PATQNISMTSOECH-UHFFFAOYSA-N,3,1,0.484,4,617,446.858,2.763,5,0.392,0.64,0.996,0.5351329586731547,0.5981769583990131,0.4068261256939209,0.38867281200740184,0.4822022136933726
EOS-3-33555,Cn1nc(-c2ccc(C(F)F)nc2)nc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,OEDIIQQNIOKOLB-UHFFFAOYSA-N,3,1,0.481,27,706,454.828,4.365,5,0.389,0.71,1.0,0.5531663354122405,0.7137190734014118,0.6202196559522993,0.6196114042903159,0.6266791172640669
EOS-3-33556,CCCOc1ncc(-c2nnc3cncc(-c4ccc(-c5ccn(C)n5)cc4Cl)n23)cn1,ADHVXKYSKMUZAJ-UHFFFAOYSA-N,3,1,0.306,82,478,446.902,4.091,5,0.387,0.68,1.0,0.3318655335480776,0.33859056952916183,0.3029864299910904,0.2903159481872387,0.3159396203138921
EOS-3-33557,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccccc5OC(F)F)n34)c2)nn1,NZIISEPZLYZGTR-UHFFFAOYSA-N,3,1,0.395,50,542,421.371,2.645,5,0.426,0.66,0.689,0.1623089575765883,0.2580100747035844,0.5470238503186896,0.5278596395038038,0.37380063052566653
EOS-3-33558,CCc1nc(C)ccc1COc1cncc2nnc(-c3cc(-c4ccnnc4)ccn3)n12,OQINCAKEQFZDFU-UHFFFAOYSA-N,3,1,0.415,18,544,424.468,3.488,5,0.408,0.63,1.0,0.29075286135288875,0.09147762319237886,0.24838941813446644,0.1739685422520732,0.20114711123295181
EOS-3-33559,Cc1c(-c2nnc3cncc(OCCc4nccnc4F)n23)ccc(F)c1-c1nccn1C,RJMISLVWZIOLMS-UHFFFAOYSA-N,3,1,0.467,20,353,448.437,3.19,5,0.394,0.61,0.929,0.6288893838667672,0.5936279213213624,0.29935405386882324,0.29325440339935577,0.4537814406140772
EOS-3-33560,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)s1,SSJMBQYBQNJJRM-UHFFFAOYSA-N,3,1,0.449,2,419,433.472,4.04,5,0.413,0.66,1.0,0.5555565074360908,0.5224453430196696,0.4919470906723323,0.38523747515591805,0.48879660407100267
EOS-3-33561,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ncccn5)c(F)cc4F)n23)n1,GICOXZBSSHAWDJ-UHFFFAOYSA-N,3,1,0.5,73,242,432.394,3.204,5,0.417,0.59,1.0,0.7436776094852992,0.7044239599753273,0.4988263313001165,0.45474950311836065,0.600419350969776
EOS-3-33562,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)ccn1,LLHYIGYXJKVELQ-UHFFFAOYSA-N,3,1,0.602,11,922,446.873,4.662,5,0.353,0.71,1.0,0.9575680213830443,0.9634363648824618,0.8262541977931601,0.8441676375848125,0.8978565554108697
EOS-3-33563,CCn1nc(C)cc1COc1cncc2nnc(-c3ccc(-c4ncccn4)c(F)n3)n12,GYJXOZXZDMDDHJ-UHFFFAOYSA-N,3,1,0.371,31,662,431.435,2.886,5,0.378,0.65,0.948,0.24794393804399972,0.2228257144815297,0.06918648481940923,0.05445994105955726,0.14860401960112396
EOS-3-33564,O=C(c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1)N1CCC(F)(F)C1,IURBTQSMHRRIER-UHFFFAOYSA-N,3,1,0.567,0,536,485.882,3.337,5,0.413,0.79,1.0,0.3506442327462134,0.34376499211842915,0.1319477760263176,0.30241244602837364,0.2821923617298334
EOS-3-33565,CC#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4OC)n23)cn1,NTHOGLJIBTWBIR-UHFFFAOYSA-N,3,1,0.426,16,248,450.462,2.997,5,0.36,0.64,1.0,0.527491261736687,0.20288191350832704,0.32502056061956003,0.16597560139812212,0.3053423343156741
EOS-3-33566,Cn1cc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5F)n34)c2)cn1,KLZCUQYMGJLGLI-UHFFFAOYSA-N,3,1,0.27,39,967,467.443,3.989,6,0.387,0.65,1.0,0.14007778767733534,0.1640137756151052,0.6718867795216229,0.697467617024193,0.4183614899595641
EOS-3-33567,Cc1nnc(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2F)s1,LIWVXUKBDQRWQO-UHFFFAOYSA-N,3,1,0.398,52,916,485.548,4.24,6,0.386,0.86,1.0,0.22051264478102942,0.2431892947707491,0.1987183880474265,0.2605887190734014,0.2307522616681516
EOS-3-33568,Cc1csc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ncn4)n23)n1,FKLZWXNLTPDVTM-UHFFFAOYSA-N,3,1,0.44,44,488,437.435,3.87,5,0.412,0.72,0.998,0.5274998286615037,0.5178020697690358,0.5023987389486669,0.5077702008087177,0.513867709546981
EOS-3-33569,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cncn5C)nc4)n23)ccc1F,YOMWYLLSVDXOQH-UHFFFAOYSA-N,3,1,0.467,7,464,416.42,3.008,5,0.435,0.7,1.0,0.5169025426632856,0.4813412377492975,0.40683469261873756,0.30587348365430744,0.42773798917140704
EOS-3-33570,Cn1ncnc1-c1cc(F)c(COc2cncc3nnc(-c4ccc(F)cc4CO)n23)cn1,GFFMKUMNRUKZCE-UHFFFAOYSA-N,3,1,0.478,16,45,450.409,2.331,5,0.419,0.6,0.957,0.6006442327462134,0.5224539099444864,0.5470324172435063,0.5179048728668357,0.5470088582002605
EOS-3-33571,Cn1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nn2)nc1CO,WUCUZZCOENDZOJ-UHFFFAOYSA-N,3,1,0.385,85,740,442.443,0.559,5,0.382,0.6,0.65,0.1486875471180865,0.11353745459529847,0.0134929065862518,0.006862106778150915,0.07064500376944692
EOS-3-33572,COc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,FOYWOSGNJHLOQI-UHFFFAOYSA-N,3,1,0.31,42,369,467.518,3.781,6,0.377,0.69,0.852,0.08344184771434446,0.05607052292509081,0.2776111986841204,0.2138561441984785,0.15774492838050855
EOS-3-33573,Cc1cc(COc2cncc3nnc(-c4cc(-c5cnc(C)s5)nc(C)n4)n23)n(C)n1,BBVXKQXYPRBOPZ-UHFFFAOYSA-N,3,1,0.38,31,662,433.501,2.943,5,0.416,0.6,1.0,0.14555205263518609,0.14475532862723597,0.02526386128435337,0.008892467959701186,0.08111592762661915
EOS-3-33575,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)cc4)n23)cn1,TXWNPFFRYDKXIC-UHFFFAOYSA-N,3,1,0.325,38,522,465.908,4.364,6,0.356,0.74,1.0,0.20962408333904461,0.24831231581111643,0.4503118360633267,0.5111113014872182,0.3548398841751765
EOS-3-33576,Cc1ccc(Oc2ccccc2F)c(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)n1,YXHBRWWGKXUISA-UHFFFAOYSA-N,3,1,0.292,25,791,479.479,4.284,6,0.36,0.85,1.0,0.21226269618257831,0.36261222671509835,0.3585001028030978,0.3886813789322185,0.33051410115824825
EOS-3-33577,CCn1cnnc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cs1,PATIOKXIYZUMSY-UHFFFAOYSA-N,3,1,0.618,84,908,453.478,4.031,5,0.37,0.7,1.0,0.5505876910424234,0.4241227468987732,0.457396682886711,0.4792337742443972,0.4778352237680762
EOS-3-33578,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)c5)cn4)n23)nc1,ISPHMETXKHHNQH-UHFFFAOYSA-N,3,1,0.467,46,267,450.289,4.529,5,0.364,0.7,1.0,0.5666763758481256,0.7803269138510041,0.7428808854773491,0.8013330135014735,0.722804297169488
EOS-3-33579,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cn2)s1,ZLKGXJKEHSFDDX-UHFFFAOYSA-N,3,1,0.649,11,56,428.521,4.548,5,0.395,0.77,1.0,0.5094064834487012,0.5087896648619011,0.2021280241244603,0.17666712356932354,0.34924782400109655
EOS-3-33580,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nn1,KSALSWLPURZWJM-UHFFFAOYSA-N,3,1,0.297,98,63,438.48,3.167,6,0.412,0.57,1.0,0.05648173531629087,0.08849633335617847,0.10665821396751422,0.13565725447193475,0.09682338427797957
EOS-3-33581,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)ncn1,HKLXMZBUXWVXDF-UHFFFAOYSA-N,3,1,0.644,84,360,461.888,4.366,5,0.371,0.71,1.0,0.87533411006785,0.8388732780481118,0.7907528613528888,0.7665427318209855,0.817875745322459
EOS-3-33582,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cn1,OGSBYDAEQLMMPT-UHFFFAOYSA-N,3,1,0.398,46,157,451.824,4.154,5,0.371,0.67,1.0,0.7580700431773011,0.7230313206771297,0.8859570968405182,0.8906774724145021,0.8144339832773628
EOS-3-33583,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)cn1,CNOYIZOTSQTRHH-UHFFFAOYSA-N,3,1,0.43,46,157,451.824,4.154,5,0.371,0.67,1.0,0.5834589815639778,0.694503461037626,0.8635031868960318,0.8728154341717497,0.7535702659173463
EOS-3-33584,COc1ncc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)cc1-c1ccccc1F,LWYDCXAMNFPSFI-UHFFFAOYSA-N,3,1,0.43,4,677,445.458,3.622,5,0.394,0.67,0.999,0.39633164279350286,0.43308375025700774,0.42105578781440617,0.3119817010485916,0.3906132204783771
EOS-3-33585,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C(F)F)cc5)n34)cn2)n1,NZOLALWKMHYTJS-UHFFFAOYSA-N,3,1,0.305,98,866,471.435,3.302,6,0.376,0.65,1.0,0.16231752450140496,0.19828147488177644,0.36969707353848263,0.35306867246933044,0.2708411863477486
EOS-3-33586,Fc1cc(Cl)cc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)c1,PCPONZINBAWDAK-UHFFFAOYSA-N,3,1,0.494,57,198,431.858,5.225,5,0.381,0.79,1.0,0.7700209032965527,0.7503255431430333,0.9114265643204715,0.9342574189568912,0.8415076074292371
EOS-3-33587,Fc1ncccc1CCOc1cncc2nnc(-c3cc(-c4cscn4)cc(Cl)n3)n12,NWBFQJIICFNEJY-UHFFFAOYSA-N,3,1,0.446,18,578,453.89,4.119,5,0.357,0.72,1.0,0.661700705914605,0.6455691864848194,0.513047426495785,0.5608251661983414,0.5952856212733877
EOS-3-33588,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cnn2)cs1,XJYZQIMTFZNEEE-UHFFFAOYSA-N,3,1,0.44,53,617,437.876,3.036,5,0.408,0.6,0.999,0.39840483859913645,0.5087982317867178,0.1120125419779316,0.1381245288191351,0.28933503529573024
EOS-3-33589,Cc1cncc(-c2nccnc2-c2nnc3cncc(-c4cnn(C5CCCOC5)c4)n23)c1,GXTLGZWYYIGNDD-UHFFFAOYSA-N,3,1,0.219,33,974,439.483,3.167,6,0.42,0.66,0.983,0.01906997464190254,0.0017733534370502364,0.014752244534301967,0.047829141251456375,0.02085617846617778
EOS-3-33590,COCc1nc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nn5)nc4)n23)nc(C(C)O)n1,CXLFQDQPMIQMKI-UHFFFAOYSA-N,3,1,0.284,50,974,460.433,1.834,5,0.395,0.57,0.337,0.40700603111507094,0.40103488451785346,0.05138441505037352,0.03647796586937153,0.22397582413816738
EOS-3-33591,COCc1cnc(-c2nnc3cncc(OCc4ccc(-c5cncs5)cn4)n23)cn1,YYVSRGQTEMRWRT-UHFFFAOYSA-N,3,1,0.449,7,535,432.469,2.825,5,0.383,0.62,1.0,0.35987081077376465,0.2686330614762525,0.16272016996778838,0.11374306079089849,0.226241775752176
EOS-3-33592,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)c(Cl)c1,LLODNSFWQDOMLM-UHFFFAOYSA-N,3,1,0.573,35,353,436.928,4.528,5,0.391,0.69,1.0,0.7374751559180317,0.7461277499828661,0.5368720444109383,0.5509732026591735,0.6428620382427523
EOS-3-33593,Cn1ncnc1-c1cc(F)c(-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)cn1,MBMGSXGSFVFSKW-UHFFFAOYSA-N,3,1,0.333,70,968,456.47,3.306,6,0.397,0.57,0.939,0.12954047015283393,0.2279658693715304,0.1533393872935371,0.18786409430470838,0.17467745528065245
EOS-3-33594,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)cnn4)n23)c1,MYZGRRPXKOSNSH-UHFFFAOYSA-N,3,1,0.453,53,873,415.392,2.194,5,0.411,0.68,0.993,0.5453961346035228,0.49535672674936604,0.2268179014460969,0.2637242135563018,0.3828237440888219
EOS-3-33595,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5F)n34)nc2)n1,CCRVPZGZGZVLCW-UHFFFAOYSA-N,3,1,0.279,64,449,467.443,3.989,6,0.387,0.64,0.987,0.17037900075388937,0.2326776780206977,0.5669676512918923,0.5982883284216298,0.39207816462202727
EOS-3-33596,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cocn6)c5)n34)cc2)nn1,UIRGEHGGKYYMFK-UHFFFAOYSA-N,3,1,0.333,9,764,420.436,3.909,6,0.426,0.65,1.0,0.08816222328832843,0.03492735247755466,0.47132650263861287,0.46412171886779524,0.2646344493180728
EOS-3-33597,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)c2)n1,XQRPAJPWSKHGAZ-UHFFFAOYSA-N,3,1,0.512,4,506,416.47,3.296,5,0.43,0.76,1.0,0.279710095264204,0.2945651428963059,0.07347851415255979,0.05446850798437393,0.1755555650743609
EOS-3-33598,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1F,UGQAWDZSUZBQFL-UHFFFAOYSA-N,3,1,0.465,26,125,465.439,4.109,5,0.36,0.7,1.0,0.7525186758961003,0.6700877253101227,0.79961962853814,0.7614368446302515,0.7459157185936536
EOS-3-33599,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)c(F)c2)n1,CLIADYSVJRZTNO-UHFFFAOYSA-N,3,1,0.478,73,446,438.81,3.311,5,0.381,0.68,1.0,0.6800510588719073,0.6650846412171887,0.36232951819614834,0.3561527654033308,0.5159044959221438
EOS-3-33600,Cn1cc(-c2ccccc2-c2nnc3cncc(Cc4ccc(-c5cccnn5)nc4)n23)cn1,UHVLGZPGSZCJJT-UHFFFAOYSA-N,3,1,0.297,81,887,445.49,3.635,6,0.399,0.63,1.0,0.05132444657665684,0.02889623740662052,0.38121102049208416,0.3595195668562813,0.2052378178329107
EOS-3-33601,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1F,ONIRFLRMFLRAPT-UHFFFAOYSA-N,3,1,0.56,84,529,435.459,4.815,5,0.383,0.74,1.0,0.7345709684051813,0.732232197930231,0.8590312521417311,0.8563840723733809,0.795554622712631
EOS-3-33602,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)o1,ICPJFROQWOMSBT-UHFFFAOYSA-N,3,1,0.561,15,655,432.871,4.425,5,0.366,0.72,1.0,0.8064903022411075,0.7322407648550476,0.6021948461380303,0.5608337331231581,0.6754399115893359
EOS-3-33603,FC(F)c1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nn1,DPNSDYTXLBMOGB-UHFFFAOYSA-N,3,1,0.565,4,372,465.851,4.813,5,0.355,0.77,1.0,0.8554331437187307,0.9533702282228771,0.8784524707011171,0.8616013295867315,0.8872142930573641
EOS-3-33604,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(O)cc4F)n23)c1,LRTQTNSUHHRWMW-UHFFFAOYSA-N,3,1,0.384,46,211,431.431,3.493,5,0.439,0.61,0.999,0.4482129394832431,0.34377355904324586,0.5956839832773627,0.5077787677335344,0.4738623123843465
EOS-3-33605,CC(C)n1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cn4)n23)nc1,NFAPQLYGUFFCAZ-UHFFFAOYSA-N,3,1,0.252,86,652,462.521,4.093,6,0.38,0.66,0.889,0.08345041463916113,0.04509629223493935,0.3214738537454595,0.20766225755602769,0.1644207045438969
EOS-3-33606,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)ncn1,KFQJBRIWKOJRJW-UHFFFAOYSA-N,3,1,0.616,84,73,443.898,4.227,5,0.388,0.63,1.0,0.7101980673017614,0.7415444452059489,0.620228222877116,0.6196199712151326,0.6728976766499897
EOS-3-33607,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5nnc(-c6cnccn6)s5)n34)cn2)c1,PNFWKRAOZBSHMP-UHFFFAOYSA-N,3,1,0.346,39,944,454.454,3.363,6,0.395,0.6,1.0,0.08141148653279419,0.24319786169556576,0.13195634295113426,0.23697827427866494,0.17338599136453978
EOS-3-33608,Cc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,HMOWXDIXJOFMDJ-UHFFFAOYSA-N,3,1,0.593,19,73,427.443,3.712,5,0.408,0.63,1.0,0.6203652936741827,0.5361866904256049,0.49195565759714893,0.49141594133369887,0.5349808957576588
EOS-3-33609,CCn1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccc2Cl)c1,RCHPKQIIRIKHSL-UHFFFAOYSA-N,3,1,0.494,20,658,446.902,3.74,5,0.375,0.64,1.0,0.5777705434857103,0.6798283188266739,0.3658505242957988,0.36304057295593173,0.49662248989102875
EOS-3-33610,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cc(F)nc(F)c5F)cn4)n23)cc1,XSIGCGJYCRIUOV-UHFFFAOYSA-N,3,1,0.43,13,412,434.381,4.766,5,0.38,0.75,1.0,0.922580700431773,0.9234202590638064,0.9289202247961071,0.8935216914536358,0.9171107189363307
EOS-3-33611,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)c1,JGABPGFZWWLBSP-UHFFFAOYSA-N,3,1,0.518,15,438,445.914,4.17,5,0.365,0.71,1.0,0.49186998834898227,0.5361952573504215,0.5893444589130286,0.5509817695839901,0.5420978685491056
EOS-3-33612,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)nc1,CDSDUZOACKQRJC-UHFFFAOYSA-N,3,1,0.319,69,556,416.448,4.305,6,0.46,0.73,1.0,0.12094784456171613,0.12703892810636694,0.5862517990542115,0.5953927078335961,0.3574078198889727
EOS-3-33613,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)cn5)n34)cn2)n(C)n1,ORWITBUYRBTGHS-UHFFFAOYSA-N,3,1,0.268,70,813,446.478,3.414,6,0.405,0.58,1.0,0.04812041669522308,0.03176615722020423,0.28126927558083753,0.2485350558563498,0.15242272633815365
EOS-3-33614,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccn4)n23)cc1F,NMHGDKPMSDEBPT-UHFFFAOYSA-N,3,1,0.553,97,744,430.418,4.414,5,0.384,0.7,1.0,0.7612997738331848,0.7968439448975396,0.895372147214036,0.8616098965115482,0.8287814406140772
EOS-3-33615,CCn1c(-c2cncc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(C(F)F)cc3)n12,CTGFWNWGRGYPTD-UHFFFAOYSA-N,3,1,0.354,22,311,452.856,4.723,5,0.383,0.72,0.992,0.29076142827770546,0.4330923171818244,0.602203413062847,0.7273661846343636,0.5133558357891851
EOS-3-33616,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cc4)n23)nc1,UDFMYHCNLYMCMA-UHFFFAOYSA-N,3,1,0.283,38,339,435.516,4.982,6,0.39,0.77,1.0,0.03644369817010486,0.06759303680350902,0.5503049825234734,0.5543485710369406,0.30217257213350696
EOS-3-33617,Fc1cnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1CCc1ccc(Cl)nn1,CYGUDOQELZEDQU-UHFFFAOYSA-N,3,1,0.403,22,844,467.295,4.269,5,0.381,0.67,1.0,0.4770406414913303,0.75033411006785,0.39598896580083615,0.6251713384963333,0.5621337639640875
EOS-3-33618,Fc1ccccc1-c1ccnc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,XGVZUGXMXOAXFB-UHFFFAOYSA-N,3,1,0.443,97,153,432.846,4.62,5,0.377,0.74,1.0,0.7898104996230553,0.7630988280446851,0.8663988074840655,0.8894181344664519,0.8271815674045644
EOS-3-33619,Cn1nc(-c2nnc3cncc(Oc4ncccc4Cl)n23)cc1-c1ccc(F)nc1,IOXVLLDIZHEBIM-UHFFFAOYSA-N,3,1,0.352,95,956,422.811,3.567,5,0.408,0.68,1.0,0.3941984785141526,0.45058597765746006,0.4713350695634295,0.5111198684120348,0.45680984853676926
EOS-3-33620,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cscn1,FUHWAYYPOWBFEX-UHFFFAOYSA-N,3,1,0.53,97,89,438.875,4.681,5,0.396,0.72,1.0,0.8940614077170859,0.8458124871496128,0.8262627647179769,0.8461465972174628,0.8530708142005345
EOS-3-33621,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5cccc(C)c5F)n34)c2)s1,HSKJDIPJJVOTCD-UHFFFAOYSA-N,3,1,0.488,43,909,432.484,4.645,5,0.402,0.72,1.0,0.6316736344321843,0.6260965663765334,0.5401960112398053,0.4945942704406826,0.5731401206223014
EOS-3-33622,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cnc(F)cn5)n34)c2)cn1,ODZKIJFLZOSOKI-UHFFFAOYSA-N,3,1,0.457,65,349,417.408,2.137,5,0.413,0.68,1.0,0.4181858680008224,0.36765814543211567,0.27761976560893703,0.2311013638544308,0.32364128572407647
EOS-3-33623,Cc1nccc(-n2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(Cl)cc5)n34)n2)n1,MLTNWXFQYPNATQ-UHFFFAOYSA-N,3,1,0.289,39,972,466.896,3.853,6,0.385,0.65,0.654,0.010734356795284764,0.08186553354807759,0.2057946679459941,0.2993626207936399,0.14943929477074908
EOS-3-33625,Cc1nc(F)cc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)n1,MUJLROUHMUFHJX-UHFFFAOYSA-N,3,1,0.5,4,0,437.435,3.87,5,0.386,0.69,1.0,0.680059625796724,0.7230398876019464,0.5538174216983072,0.5146922760605853,0.6179023027893907
EOS-3-33627,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)n[nH]4)n23)c1,ZFRBYJNWXGFAJX-UHFFFAOYSA-N,3,1,0.528,19,963,435.85,3.99,5,0.433,0.64,1.0,0.6553354807758207,0.617238366116099,0.6855253238297581,0.7536409430470838,0.6779350284421903
EOS-3-33628,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cs2)cn1,JWPOVPKYDYOWJM-UHFFFAOYSA-N,3,1,0.396,46,915,439.863,4.076,5,0.407,0.64,1.0,0.7131536563635118,0.7183366458775958,0.5601055445137414,0.6042594750188472,0.6489638304434241
EOS-3-33629,Cc1nc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nn2)co1,IQQBQFCHWOJIRR-UHFFFAOYSA-N,3,1,0.427,14,886,433.422,4.268,5,0.395,0.68,1.0,0.34369645671989585,0.4551864162840107,0.5569786169556576,0.5278682064286204,0.47093242409704617
EOS-3-33630,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)cc(F)c4F)n23)nn1,PPZXXZYGLHXBMD-UHFFFAOYSA-N,3,1,0.4,59,445,449.396,3.948,5,0.375,0.65,1.0,0.7162206154478789,0.7183452128024125,0.8649252964155987,0.8423942841477623,0.785471352203413
EOS-3-33631,COc1cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)ccc1-c1cncnc1,WLNWIJSSMQUEDZ-UHFFFAOYSA-N,3,1,0.474,51,795,460.885,3.322,5,0.36,0.61,1.0,0.8624237543691317,0.7369354396545816,0.362338085120965,0.3241638681378932,0.5714652868206429
EOS-3-33632,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)s1,OXDXFPMBEDDXMJ-UHFFFAOYSA-N,3,1,0.317,39,176,455.482,3.911,6,0.397,0.63,0.596,0.15694606264135427,0.26864162840106914,0.1952573504214927,0.2962613940100062,0.22927660886848059
EOS-3-33633,Clc1ncccc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)n1,LTAUZVFEFPRLGD-UHFFFAOYSA-N,3,1,0.316,8,927,443.818,2.532,6,0.373,0.61,1.0,0.10286306627373039,0.1721352203413063,0.07117401137687615,0.14279350284421904,0.12224145020903297
EOS-3-33634,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nc(Cl)cnc5F)n34)c2)nn1,DYGQQEAEEGDDAN-UHFFFAOYSA-N,3,1,0.398,31,88,463.864,3.156,5,0.374,0.62,0.856,0.569580563360976,0.5545970118566239,0.19872695497224316,0.2369868412034816,0.38997284284833117
EOS-3-33635,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2C)ccc1F,GDBVPXCVVYXXHU-UHFFFAOYSA-N,3,1,0.402,95,998,450.865,3.662,5,0.403,0.61,1.0,0.3690888218764992,0.3773045027756836,0.4539956137344939,0.4792423411692139,0.41990781988897263
EOS-3-33637,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,FYBIACMJJCEDIW-UHFFFAOYSA-N,3,1,0.517,35,265,447.861,4.057,5,0.387,0.62,1.0,0.8534884517853472,0.910047289424988,0.7477640326228497,0.7614454115550682,0.8181862963470632
EOS-3-33638,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1C,GAYAFEYEDFWYES-UHFFFAOYSA-N,3,1,0.329,32,327,445.49,4.019,6,0.404,0.63,0.996,0.10287163319854704,0.07486635597285998,0.18202145157974092,0.20168254403399355,0.14036049619628538
EOS-3-33639,Fc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)cn1,NPGBOGZLVGGNQQ-UHFFFAOYSA-N,3,1,0.424,55,875,435.81,2.805,5,0.384,0.57,0.999,0.5695891302857926,0.8130782674251251,0.45740524981152764,0.4884517853471318,0.5821311082173942
EOS-3-33640,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(F)c5)cn4)n23)cc1,QLFBBQIELUAGJS-UHFFFAOYSA-N,3,1,0.464,89,398,481.491,3.859,6,0.376,0.79,1.0,0.5531749023370571,0.3094801590021246,0.35491912822973065,0.3978051538619697,0.40384483585772046
EOS-3-33641,Cn1nncc1-c1cc(F)cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,APPQEZKMGSIFOL-UHFFFAOYSA-N,3,1,0.527,89,398,484.495,3.197,6,0.378,0.83,1.0,0.40464155986567063,0.21739428414776232,0.31392639298197517,0.327496401891577,0.31586465972174627
EOS-3-33642,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ccc2C)cn1,GIYVNWMTILZYBG-UHFFFAOYSA-N,3,1,0.55,65,361,424.468,3.277,5,0.409,0.61,1.0,0.6890891645534919,0.5313720786786376,0.36234665204578165,0.2605972859982181,0.46085129531903224
EOS-3-33643,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)n2)s1,UFKQCWNLLZATFO-UHFFFAOYSA-N,3,1,0.294,76,368,450.491,3.532,6,0.397,0.59,0.894,0.04373415118908917,0.1270474950311836,0.1015266260023302,0.11827496401891577,0.09764580906037967
EOS-3-33644,Cn1nc(-c2ncc(F)nn2)cc1-c1cncc2nnc(-c3ccc(C#N)cc3F)n12,XWUSORFDUIZHFO-UHFFFAOYSA-N,3,1,0.418,22,844,416.355,2.194,5,0.438,0.67,0.938,0.20400418065931053,0.3676667123569324,0.40311664724830376,0.48846035227194845,0.3658119731341238
EOS-3-33645,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cccnc5F)n4)n23)cc1,BEIHGCNGFABRHO-UHFFFAOYSA-N,3,1,0.358,62,139,475.434,3.893,5,0.374,0.74,0.999,0.24242683846206567,0.32884140908779386,0.6141371393324652,0.5736926872729765,0.4397745185388253
EOS-3-33646,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccc(Cl)c6)n5)n34)nc2)n1C,ZPUIXCQGIDVTMJ-UHFFFAOYSA-N,3,1,0.317,10,952,469.9,3.191,6,0.386,0.63,0.724,0.03371941607840449,0.16007299019943802,0.11202110890274827,0.1714070317318895,0.11930513672812007
EOS-3-33647,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(Cl)nc(-c4cccc(F)c4)c3)n12,TZGLNKNPCYLLTM-UHFFFAOYSA-N,3,1,0.567,37,684,463.904,4.309,5,0.349,0.76,1.0,0.48427969296141454,0.6602871633198547,0.5368806113357549,0.5832276745939278,0.566168785552738
EOS-3-33648,C#Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)cn1,IFPCODBRWOQVJN-UHFFFAOYSA-N,3,1,0.383,85,290,441.405,2.943,5,0.383,0.58,0.902,0.2907699952025221,0.3531543417174971,0.5368891782605716,0.4703498732095127,0.4127908470975259
EOS-3-33649,Cc1ncncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccn1,GOKYLHHVGWNEQY-UHFFFAOYSA-N,3,1,0.484,59,577,449.396,3.948,5,0.375,0.64,1.0,0.8534970187101638,0.7760948529915701,0.8917569049414023,0.8461551641422795,0.841875985196354
EOS-3-33650,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)n(C)n1,GRNFEZZEVRNTAJ-UHFFFAOYSA-N,3,1,0.773,91,781,463.904,4.309,5,0.373,0.7,1.0,0.6492615310808032,0.6455777534096361,0.570351586594476,0.5924114179973956,0.6144005722705778
EOS-3-33651,Fc1cc(-c2cnnc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)ccn1,XTJHCIMDFAADIH-UHFFFAOYSA-N,3,1,0.394,46,87,436.357,3.035,5,0.387,0.6,1.0,0.6345606880954012,0.607720512644781,0.7972637242135563,0.7787505996847371,0.7045738811596189
EOS-3-33652,COc1nnc(-c2nnc3cncc(OCCc4cncs4)n23)cc1-c1ccc(F)nc1,BMLQNEULAGLBLZ-UHFFFAOYSA-N,3,1,0.419,18,466,450.459,2.869,5,0.345,0.67,0.999,0.5275083955863203,0.5178106366938524,0.1724179288602563,0.14763381536563636,0.3413426941265164
EOS-3-33653,Cc1csc(-c2cccc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)n1,QPMVKVIYTRRTSM-UHFFFAOYSA-N,3,1,0.568,4,268,436.447,4.475,5,0.404,0.75,1.0,0.8038859570968405,0.8208056336097594,0.6202367898019328,0.6012010828592969,0.7115323658419574
EOS-3-33654,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cn2)cn1,CUPPPEJDKIAAKZ-UHFFFAOYSA-N,3,1,0.301,94,165,434.488,4.434,6,0.405,0.66,1.0,0.09782571448152971,0.13367829483928448,0.509569255020218,0.5179134397916524,0.31474667603317114
EOS-3-33656,Cc1nccc(COc2cncc3nnc(-c4cc(Cl)nc(Oc5ncccn5)c4)n23)n1,ADZBMDKIEHGKKY-UHFFFAOYSA-N,3,1,0.467,7,420,447.846,3.099,5,0.358,0.64,1.0,0.5695976972106093,0.4904393119045987,0.19188198204372559,0.13365259406483448,0.34639289630594206
EOS-3-33657,CC1(C)CC(n2cc(-c3cncc4nnc(-c5ccc(C(=O)NCC#N)cn5)n34)nn2)O1,RXJNLQAXKAZDII-UHFFFAOYSA-N,3,1,0.255,63,108,430.432,1.396,5,0.464,0.51,0.998,0.10011308340758002,0.056079089849907476,0.10940819683366458,0.06667637584812555,0.0830691864848194
EOS-3-33658,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,XHWTUQHHZORMEN-UHFFFAOYSA-N,3,1,0.484,15,771,461.913,3.87,5,0.34,0.73,1.0,0.6738229045301899,0.5044462339798506,0.4210643547392228,0.3466520457816462,0.4864963847577274
EOS-3-33659,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cn2)cn1,JAGHAQNIVCRJSN-UHFFFAOYSA-N,3,1,0.321,42,339,448.465,4.455,6,0.37,0.69,1.0,0.11015351929271469,0.2531697621821671,0.7589438695086012,0.7381690768281818,0.46510905695291616
EOS-3-33660,CCn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(C)nc4)n23)cc(Cl)n1,WHLWIXANMNTNSF-UHFFFAOYSA-N,3,1,0.468,55,97,446.902,4.006,5,0.363,0.69,1.0,0.509415050373518,0.5088067987115346,0.41003015557535466,0.34666061270646287,0.44372815434171753
EOS-3-33661,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)ccn2)cc1F,RYEQCRUCRHDQDP-UHFFFAOYSA-N,3,1,0.651,84,360,462.435,4.596,5,0.367,0.72,1.0,0.962168460009595,0.9058494962648208,0.9131485162086218,0.8867452539236516,0.9169779316016722
EOS-3-33662,Cc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)cn1,MDYXZHCIUBZUIE-UHFFFAOYSA-N,3,1,0.598,13,15,416.391,4.627,5,0.425,0.8,1.0,0.8488109108354465,0.7461363169076828,0.8747087245562333,0.8497190048660133,0.8298437392913439
EOS-3-33663,FC(F)Oc1ccccc1-c1cncc2nnc(-c3cnc(-c4ccccc4)nc3)n12,LFBHSVBPCJTKBA-UHFFFAOYSA-N,3,1,0.41,30,553,416.391,4.517,5,0.419,0.81,1.0,0.5505962579672401,0.4999057638270167,0.8448872592694127,0.8385049002809951,0.6834735453361661
EOS-3-33664,CCc1cc(-c2ccc(-c3nnc4cncc(C(F)c5ccccc5)n34)cn2)cc(CO)n1,HBWDSGLFZNXNPI-UHFFFAOYSA-N,3,1,0.347,14,886,440.482,4.362,5,0.422,0.66,1.0,0.1956257281886094,0.3288499760126105,0.7885682955246385,0.7086817216092112,0.5054314303337675
EOS-3-33665,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccn(C)n6)cn5)n34)n(C)n2)n(C)n1,YLUORJMCYZQLLN-UHFFFAOYSA-N,3,1,0.244,99,813,452.486,2.091,6,0.398,0.57,0.946,0.017330888904118977,0.017973408265369063,0.018538825303269137,0.010760057569734768,0.016150795010622984
EOS-3-33666,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(C#N)n5C)cn4)n23)nc1,YFOUXDKYNDENJD-UHFFFAOYSA-N,3,1,0.264,70,813,458.489,3.526,6,0.397,0.62,1.0,0.09783428140634638,0.09756870673702968,0.5058769104242341,0.432638270166541,0.28347954218353777
EOS-3-33667,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cc4Cl)n23)c1F,RDRJZUVPZPZLGC-UHFFFAOYSA-N,3,1,0.511,37,832,449.877,4.299,5,0.415,0.64,1.0,0.8322681790144609,0.8756253855116167,0.7846275101089712,0.7787591666095538,0.8178200603111507
EOS-3-33668,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,LANUQRNIIOVCQF-UHFFFAOYSA-N,3,1,0.542,4,32,418.848,3.214,5,0.432,0.65,1.0,0.6316822013570009,0.7930659310533891,0.4210729216640395,0.43869508601192514,0.5711290350215886
EOS-3-33669,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)c(C#N)n2)c1F,IPBMKLXMMPOYHZ-UHFFFAOYSA-N,3,1,0.329,96,856,442.845,4.283,5,0.41,0.61,1.0,0.37613083407580017,0.5133387019395518,0.6855338907545747,0.7460592145843328,0.5802656603385649
EOS-3-33670,COc1cc(-c2nnc3cncc(OCc4ccc(-c5nnn(C)c5C)cn4)n23)ccc1Cl,GAEMXOBKCWTQMQ-UHFFFAOYSA-N,3,1,0.528,4,67,462.901,3.531,5,0.377,0.69,1.0,0.38980364608320195,0.5839815639777945,0.31016551298745804,0.2637327804811185,0.38692087588239327
EOS-3-33671,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cccnn6)c5)n34)cn2)o1,QPKDCWWMBOFQCZ-UHFFFAOYSA-N,3,1,0.447,6,297,463.461,3.581,6,0.361,0.69,1.0,0.47704920841614695,0.32885854293742717,0.2885854293742718,0.2138647111232952,0.3270894729627853
EOS-3-33672,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)c5F)nc4)n23)c1,GDRQOQZIJJJUKC-UHFFFAOYSA-N,3,1,0.581,91,732,443.457,5.061,5,0.367,0.83,1.0,0.9359279692961414,0.9349770406414913,0.9065776848742375,0.8880045918717018,0.916371821670893
EOS-3-33673,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)n5)n34)c2)cn1,KXHZLQHOHROUQM-UHFFFAOYSA-N,3,1,0.444,46,157,417.379,3.501,5,0.404,0.71,1.0,0.5018590226852169,0.49991433075183334,0.7169316702076622,0.7002861352888767,0.6047477897333973
EOS-3-33674,COc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)o1,GJBRUZLMECTFKH-UHFFFAOYSA-N,3,1,0.536,34,32,453.821,3.616,5,0.38,0.61,0.986,0.834589815639778,0.872704064149133,0.3511068466863135,0.3822390514700843,0.6101599444863273
EOS-3-33675,CCc1nc(-c2nccn2C)cc(-c2cncc3nnc(-c4ccc(-c5ccon5)cn4)n23)n1,KVDJOSVQAYPCSO-UHFFFAOYSA-N,3,1,0.26,70,652,450.466,3.261,6,0.389,0.61,0.979,0.0907751353574121,0.0217685559591529,0.05139298197519018,0.04656123637858954,0.05262447741758619
EOS-3-33676,Fc1cc(F)c(-c2nnc3cncc(-c4ncnnc4-c4ccccc4)n23)cc1-c1ncccn1,DGRQSVIVNZWECO-UHFFFAOYSA-N,3,1,0.341,10,543,465.427,4.046,6,0.384,0.65,1.0,0.3506527996710301,0.3958604619285861,0.55031354944829,0.639906449181002,0.48418331505722706
EOS-3-33677,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)s5)n34)cn2)n(C)n1,UMRMULAAXFXPAF-UHFFFAOYSA-N,3,1,0.284,99,14,455.511,2.814,6,0.398,0.6,1.0,0.06341237749297512,0.1040281680487972,0.02968439448975396,0.023156397779453088,0.05507033445274485
EOS-3-33678,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccc2Cl)n1,JCGAZBJEOFHMQH-UHFFFAOYSA-N,3,1,0.494,37,482,467.32,3.91,5,0.374,0.68,1.0,0.7040555822082105,0.8522376807621136,0.47470187101637995,0.5608423000479748,0.6479593585086698
EOS-3-33679,CCn1c(C)nc(-c2ccc(C)nc2)c1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,XTZXZYGFAIXCHC-UHFFFAOYSA-N,3,1,0.395,96,336,429.915,5.007,5,0.401,0.8,1.0,0.29623569323555615,0.4010434514426701,0.3139349599067919,0.3978137207867864,0.3522569563429512
EOS-3-33680,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c(F)c2)n[nH]1,IZMAPTOEKOGOEQ-UHFFFAOYSA-N,3,1,0.473,34,469,453.84,4.395,5,0.424,0.67,1.0,0.7554656980330341,0.8090432458364746,0.8692001918991159,0.8662874374614489,0.8249991433075183
EOS-3-33681,Fc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ccnc(Cl)c1,JMZKUTIOOZHTIF-UHFFFAOYSA-N,3,1,0.518,35,846,447.861,4.057,5,0.362,0.66,1.0,0.905249811527654,0.9319700500308409,0.7300047974778974,0.7640583236241518,0.832820745665136
EOS-3-33682,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)c2)nn1,GOYVUZRQXXIEPN-UHFFFAOYSA-N,3,1,0.29,42,725,421.424,3.304,6,0.426,0.61,1.0,0.08577205126447811,0.04510485915975601,0.3697056404632993,0.3561613323281475,0.21418597080392024
EOS-3-33683,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)nc1,CIVIKDLPMIKHSA-UHFFFAOYSA-N,3,1,0.517,4,677,415.432,3.613,5,0.436,0.73,1.0,0.5609022685216914,0.5313806456034542,0.637970324172435,0.5377030361181551,0.5669890686039339
EOS-3-33685,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2)nn1,LHBYKIVYMUANLA-UHFFFAOYSA-N,3,1,0.329,9,340,451.425,3.808,6,0.394,0.58,1.0,0.3643256116784319,0.4241313138235899,0.44321842231512576,0.43588513467205814,0.41689012062230146
EOS-3-33686,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cnccn1,UPWZOPQNCZXGNN-UHFFFAOYSA-N,3,1,0.535,4,248,445.87,3.884,5,0.388,0.62,1.0,0.7673994243026523,0.6747652662600233,0.6202453567267494,0.5413182783907888,0.6509320814200534
EOS-3-33687,Cc1cnc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)cn1,ADIJLFLAHWRVDL-UHFFFAOYSA-N,3,1,0.5,97,655,413.416,3.67,5,0.406,0.83,1.0,0.5582208210540744,0.5270457816462203,0.5989993831814132,0.5413268453156055,0.5563982077993284
EOS-3-33688,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2C)nn1,WBTKYZPNHNKCJO-UHFFFAOYSA-N,3,1,0.391,51,924,445.874,3.283,5,0.401,0.57,0.968,0.46470426975532864,0.49992289767665,0.13819306421766842,0.13366116098965117,0.30912034815982453
EOS-3-33689,COc1cc(-c2nnc3cncc(OCc4nccc(F)c4OC)n23)ccc1-c1cncn1C,OBKXWPNKQJSMSK-UHFFFAOYSA-N,3,1,0.478,16,248,461.457,3.322,5,0.364,0.66,1.0,0.589464395860462,0.41505894044273867,0.5334195737098211,0.3181755876910424,0.46402962442601603
EOS-3-33690,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)nc1F,VSCZFUGECUDIHI-UHFFFAOYSA-N,3,1,0.417,31,814,448.437,3.364,5,0.352,0.64,0.84,0.5506048248920568,0.3912086217531355,0.4134569255020218,0.38868994585703515,0.4359900795010623
EOS-3-33691,CCn1c(-c2cn(C)nc2C)nnc1-c1cncc2nnc(-c3ccc(-c4cn(C)cn4)cn3)n12,GKAVNWFPOYEGGJ-UHFFFAOYSA-N,3,1,0.239,99,754,466.513,2.574,6,0.38,0.65,0.396,0.010066136659584675,0.014940716880268658,0.011993694743334933,0.008901034884517853,0.01147539579192653
EOS-3-33692,Cc1nc(-c2cnnc(-c3nnc4cncc(OCc5cncs5)n34)c2)ncc1F,PFNHGKJPBSPHGT-UHFFFAOYSA-N,3,1,0.404,92,65,421.421,2.521,5,0.422,0.64,1.0,0.5609108354465081,0.45519498320882734,0.09900795010622987,0.09626653416489617,0.30284507573161545
EOS-3-33693,Cc1c(F)ccc(-c2cc(-c3nnc4cncc(OCc5ncon5)n34)nn2C)c1F,GGGCCOWWATVXRJ-UHFFFAOYSA-N,3,1,0.407,95,998,424.371,2.74,5,0.424,0.63,0.995,0.4113837296963882,0.3288671098622438,0.3737320951271332,0.35616989925296416,0.3675382084846823
EOS-3-33694,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)cn2)n1,DINJRHJCSWFNTB-UHFFFAOYSA-N,3,1,0.35,50,974,413.445,2.271,5,0.476,0.69,0.387,0.16775752175998904,0.10082413816736345,0.3214824206702762,0.1428020697690357,0.18321653759166612
EOS-3-33695,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cn1,ZUWVEBGGWAIMEF-UHFFFAOYSA-N,3,1,0.308,86,136,445.45,2.866,6,0.399,0.54,0.939,0.10012165033239669,0.056087656774724146,0.05140154890000685,0.05887190734014118,0.06662069083681722
EOS-3-33697,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)nc(C)n1,QTXADCMIBWNJNI-UHFFFAOYSA-N,3,1,0.461,24,786,449.927,4.554,5,0.388,0.71,1.0,0.6261736686998834,0.7461448838324994,0.33964430128161194,0.31519429785484204,0.5067892879172092
EOS-3-33698,Cc1cc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(C)c5)c4)n23)n(C)n1,NQUQRKREKCXHNN-UHFFFAOYSA-N,3,1,0.429,4,677,429.459,3.922,5,0.421,0.66,1.0,0.3737492289767665,0.40569529161812073,0.5893530258378452,0.5045833047769173,0.4683452128024124
EOS-3-33699,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc(-c2ncccn2)n1,QZXNDHNHLQIONK-UHFFFAOYSA-N,3,1,0.453,20,279,449.837,2.847,5,0.36,0.6,1.0,0.7643238982934686,0.7718370913576863,0.22682646837091358,0.2843619354396546,0.5118373483654308
EOS-3-33700,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)cn2)nc1,XBMQJCZMRNCTKK-UHFFFAOYSA-N,3,1,0.317,42,150,421.489,4.768,6,0.41,0.77,1.0,0.006048248920567473,0.08187410047289426,0.560114111438558,0.5924199849222124,0.31011411143855805
EOS-3-33701,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ncn2)cn1,JPFOOBPIXHGYRJ-UHFFFAOYSA-N,3,1,0.517,73,354,448.849,3.718,5,0.4,0.6,1.0,0.8092317181824412,0.9252792817490234,0.6082687958330477,0.6012096497841135,0.7359973613871564
EOS-3-33702,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)c(C)n4)n23)n(C)n1,PPTKVONIRYQNMF-UHFFFAOYSA-N,3,1,0.379,31,662,446.902,3.831,5,0.378,0.71,0.999,0.29077856212733877,0.3773130697005003,0.30646460146665755,0.26951545473236926,0.3110179220067165
EOS-3-33704,FCc1cc(-c2cc(-c3nnc4cncc(OCc5nccc(F)n5)n34)ncn2)ccn1,LLBWQFQAEHNGEO-UHFFFAOYSA-N,3,1,0.353,46,395,433.382,2.621,5,0.373,0.62,0.725,0.5300356384072373,0.45951271331642796,0.29581591391953943,0.27229113837296964,0.3894138510040436
EOS-3-33705,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3cnnc(-c4ccn(C)n4)c3)n12,VXACMMPEELKAEV-UHFFFAOYSA-N,3,1,0.312,98,765,465.481,2.453,6,0.377,0.58,1.0,0.08578061818929478,0.0317747241450209,0.1562949763552875,0.10452504968816394,0.09459384209444179
EOS-3-33706,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nc(C)n2)nc1,ZGBIWPDJIWIKJW-UHFFFAOYSA-N,3,1,0.57,44,531,457.925,4.535,5,0.369,0.68,1.0,0.6203738605989993,0.5406928928791721,0.417294907819889,0.43870365293674185,0.5042663285587006
EOS-3-33707,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)ncn2)cn1,UZGSRAQWVWJIDO-UHFFFAOYSA-N,3,1,0.265,86,957,437.492,3.772,6,0.414,0.6,1.0,0.023182098553903092,0.02412446028373655,0.3250291275443767,0.3152028647796587,0.17188463779041874
EOS-3-33708,Fc1cnc(F)c(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)c1,NMHWWQJVARYUKG-UHFFFAOYSA-N,3,1,0.562,19,207,449.396,3.682,5,0.365,0.64,1.0,0.7982660544171064,0.6945120279624426,0.822801727092043,0.8363888698512781,0.7879921698307175
EOS-3-33709,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,UQHIKVLVZVFMFY-UHFFFAOYSA-N,3,1,0.456,2,422,418.848,3.214,5,0.432,0.66,1.0,0.527516962511137,0.4813498046741142,0.5538259886231238,0.5347988486053047,0.5243729011034199
EOS-3-33710,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cnc(C(F)F)cn4)n23)cn1,LRIVCDHXSWHONP-UHFFFAOYSA-N,3,1,0.527,27,275,463.423,4.342,5,0.355,0.75,1.0,0.8222705777534096,0.9197536152422726,0.7927232540607224,0.7588324994859845,0.8233949866355973
EOS-3-33711,COc1nc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)ccn2)ccc1F,RDYANCYGPWBEQM-UHFFFAOYSA-N,3,1,0.468,75,241,445.418,2.202,5,0.368,0.61,1.0,0.683023781783291,0.522462476869303,0.16576142827770543,0.1292320608594339,0.37511993694743334
EOS-3-33712,Fc1cc(F)cc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)c1,NNBQRFIRBPDCFU-UHFFFAOYSA-N,3,1,0.494,57,198,415.403,4.711,5,0.416,0.85,1.0,0.7495973545336166,0.6455863203344527,0.9103728325680214,0.9203361661298061,0.8064731683914742
EOS-3-33713,Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5cncc(F)c5)c4)n23)nc1,XCESOWJBBHRHDV-UHFFFAOYSA-N,3,1,0.404,46,348,431.406,3.809,5,0.391,0.62,1.0,0.7955589061750394,0.6405061339181687,0.7196645192241793,0.6774210129531903,0.7082876430676444
EOS-3-33714,CCOc1ccc(Cl)cc1-c1nnc2cncc(-c3cccc(-c4nnco4)n3)n12,CSAJGNVRAYPNGQ-UHFFFAOYSA-N,3,1,0.417,76,140,419.832,3.955,5,0.421,0.7,1.0,0.4091734630936879,0.4904478788294154,0.384877664313618,0.40708313343842095,0.4228955349187855
EOS-3-33715,Cn1cc(-c2ncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)cn1,DAUKDXJDAOCWTF-UHFFFAOYSA-N,3,1,0.506,65,468,450.865,3.396,5,0.366,0.63,1.0,0.6288979507915838,0.6602957302446714,0.5503221163731067,0.5509903365088068,0.5976265334795422
EOS-3-33716,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cncs5)n34)c2)s1,OXKWZQNSAPMDCO-UHFFFAOYSA-N,3,1,0.577,15,628,421.511,3.696,5,0.413,0.69,1.0,0.6006527996710301,0.4904564457542321,0.07348708107737646,0.07414673428825988,0.3096857651977246
EOS-3-33717,Cc1nc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(Oc4cncc(Cl)c4)n23)n1,DBVBNBQNLJJXPN-UHFFFAOYSA-N,3,1,0.347,46,500,451.277,4.446,5,0.37,0.69,1.0,0.6231838119388664,0.6360941676375849,0.5434857103694058,0.6223785210060997,0.6062855527379891
EOS-3-33718,Cc1ncc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(F)c(C)c5F)c4)n23)cn1,UPJMWXCCDQMNIH-UHFFFAOYSA-N,3,1,0.489,37,778,460.448,3.555,5,0.379,0.63,0.914,0.8275563703652937,0.6945205948872593,0.5925656226440956,0.5211603042971695,0.6589507230484546
EOS-3-33719,CCn1c(-c2cncc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3C)n12,SQMWFDKWCVQCDY-UHFFFAOYSA-N,3,1,0.32,22,311,451.321,4.747,5,0.392,0.74,0.972,0.17576759646357343,0.36767527928174903,0.284867384003838,0.5211688712219862,0.3373697827427867
EOS-3-33720,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)nc2F)nc1,DFTNXRGTEYDROH-UHFFFAOYSA-N,3,1,0.402,46,564,450.384,3.343,5,0.376,0.62,0.999,0.8512781851826469,0.7137276403262285,0.6379788910972517,0.6012182167089302,0.7010507333287643
EOS-3-33721,Cc1nc(Cc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)ccc1Cl,DVOSIWYQTCANGC-UHFFFAOYSA-N,3,1,0.38,14,81,413.872,4.196,5,0.439,0.77,1.0,0.31175039407854155,0.32456651360427663,0.5470409841683229,0.5861404290315948,0.44237458022068393
EOS-3-33722,Cc1csc(COc2cncc3nnc(-c4cncc(-c5ccc(F)nn5)c4)n23)n1,FOVQXXVBYXECBN-UHFFFAOYSA-N,3,1,0.466,4,875,420.433,3.126,5,0.427,0.69,1.0,0.41819443492563907,0.4595212802412446,0.20213659104927695,0.18787266122952506,0.3169312418614214
EOS-3-33723,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,ZTLSYWDQJFVTNY-UHFFFAOYSA-N,3,1,0.361,0,688,406.396,3.683,5,0.547,0.89,1.0,0.22606401206223015,0.17214378726612295,0.566976218216709,0.5832362415187444,0.38710506476595163
EOS-3-33724,Cc1ncnc(-c2ncc(Cl)cn2)c1-c1nnc2cncc(-c3ccc(-c4nnco4)cn3)n12,NHRQRNJUYRPKRC-UHFFFAOYSA-N,3,1,0.269,86,902,469.856,3.112,6,0.375,0.65,1.0,0.2767973408265369,0.32887567678706053,0.0691950517442259,0.11375162771571516,0.1971549242683846
EOS-3-33725,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ncn2)cn1,URNHNMVBZJIXAB-UHFFFAOYSA-N,3,1,0.568,44,130,447.861,4.057,5,0.362,0.65,1.0,0.8168819820437255,0.8130868343499418,0.7118172160921116,0.7562538551161675,0.7745099719004866
EOS-3-33726,Cc1nn(C)c(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccc(-c4cccnn4)nc3)n12,JSTCZWZMBLUWAJ-UHFFFAOYSA-N,3,1,0.333,3,727,463.48,4.158,6,0.387,0.65,0.987,0.11305770680556508,0.2736361455691865,0.37765574669316704,0.41998492221232264,0.2960836303200603
EOS-3-33727,Clc1cnc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cn1,NZOAPYBEZIJDFT-UHFFFAOYSA-N,3,1,0.241,86,953,454.845,2.334,6,0.39,0.55,0.987,0.0011908025495168254,0.06398636145569186,0.07556027688301008,0.14281063669385238,0.07088701939551778
EOS-3-33728,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)nn1,BIZCWRDYSLRNKK-UHFFFAOYSA-N,3,1,0.299,9,727,451.881,4.354,6,0.424,0.63,0.999,0.2096326502638613,0.30444280720992395,0.5601226783633747,0.62517990542115,0.4248445103145775
EOS-3-33729,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(F)ncc5F)n4)n23)c(F)c1,LDWBWGBHNIDZAM-UHFFFAOYSA-N,3,1,0.432,73,401,449.396,3.948,5,0.375,0.67,1.0,0.7871204852306216,0.8458210540744294,0.8319512027962442,0.8122644095675416,0.8192892879172092
EOS-3-33730,Fc1cc(-c2ncccc2Cc2cncc3nnc(-c4ccc(Cl)cn4)n23)ccn1,WGLDNFDIYAFHSZ-UHFFFAOYSA-N,3,1,0.379,14,81,417.835,4.027,5,0.411,0.7,1.0,0.34847680076759646,0.4463624837228429,0.6638253032691385,0.7486121581796998,0.5518191864848194
EOS-3-33731,OCc1cc(-c2cccnc2F)cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c1,PNPKYWOTTHPVAC-UHFFFAOYSA-N,3,1,0.462,13,145,449.392,4.555,5,0.396,0.72,1.0,0.8974453430196696,0.8727126310739497,0.9711208964430128,0.9627681447467618,0.9260117538208484
EOS-3-33732,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)cc4)n23)cc1F,IQCZTRMAPAOVPD-UHFFFAOYSA-N,3,1,0.442,0,646,405.408,3.553,5,0.551,0.92,1.0,0.3668185868000822,0.3912171886779522,0.5956925502021794,0.7195103145774793,0.5183096600644232
EOS-3-33733,c1csc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,BLQPYYNMHAFFCW-UHFFFAOYSA-N,3,1,0.463,56,425,459.52,3.735,6,0.4,0.69,1.0,0.39420704543896923,0.4416592419984922,0.06300973202659174,0.07415530121307655,0.24325783016928243
EOS-3-33734,Cn1nnc(-c2cnnc(-c3cncc4nnc(-c5cc(-c6cncnn6)ccc5F)n34)c2)n1,YDWRLEUFNLFHCJ-UHFFFAOYSA-N,3,1,0.303,99,507,453.405,1.43,6,0.381,0.56,0.992,0.10288020012336371,0.20755945445822768,0.1041909396203139,0.15277397025563705,0.14185114111438557
EOS-3-33735,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)n2)cc1,VTCKIXREOQMDRX-UHFFFAOYSA-N,3,1,0.333,30,289,421.489,4.768,6,0.41,0.75,1.0,0.02208553217736961,0.06399492838050853,0.439731683914742,0.5243900349530533,0.2625505448564184
EOS-3-33736,Cn1nc(-c2nnc3cncc(OCCc4cccs4)n23)cc1-c1cnc(C#N)c(Cl)c1,RFURIKOTPWOTBF-UHFFFAOYSA-N,3,1,0.505,95,235,462.926,3.795,5,0.377,0.69,0.998,0.5804776917277774,0.48135837159893086,0.3549276951545473,0.3886985127818518,0.45136556781577686
EOS-3-33737,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)nn5C)n34)cn2)c1,UOAWFGLJNJMINQ-UHFFFAOYSA-N,3,1,0.422,92,823,421.852,2.553,5,0.429,0.64,1.0,0.38760194640531836,0.5044548009046672,0.19526591734630938,0.17397710917688985,0.3153249434582962
EOS-3-33738,CCn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1,HHZSVLOXTOIGLK-UHFFFAOYSA-N,3,1,0.5,67,15,417.86,4.515,5,0.418,0.8,1.0,0.40918203001850456,0.5597457336714413,0.42483380165855666,0.4976954972243164,0.4728642656432047
EOS-3-33739,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccnc(F)c5)c4)n23)nc1,NBBWVRIOJUMJHA-UHFFFAOYSA-N,3,1,0.598,97,744,416.391,4.106,5,0.402,0.77,1.0,0.617829483928449,0.6650932081420053,0.8664073744088822,0.8563926392981975,0.7514306764443835
EOS-3-33740,Fc1cc(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)nc(F)c1F,UXFUBTPSQQAEBK-UHFFFAOYSA-N,3,1,0.541,59,666,440.41,4.306,5,0.379,0.73,1.0,0.6738314714550065,0.7183537797272291,0.8245493797546433,0.7924833801658556,0.7523045027756836
EOS-3-33741,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cnn1,AVAOXJKJPHUAHL-UHFFFAOYSA-N,3,1,0.406,6,502,464.453,1.808,6,0.355,0.64,1.0,0.36682715372489894,0.20289048043314373,0.061039339318758136,0.06668494277294222,0.17436047906243576
EOS-3-33742,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)n5)no4)n23)cc1,KXTKLHROXZQQEZ-UHFFFAOYSA-N,3,1,0.338,38,42,455.869,3.957,6,0.367,0.68,1.0,0.29878863683092316,0.30948872592694127,0.22683503529573024,0.29937118771845656,0.2836208964430128
EOS-3-33743,c1ccc(-c2ncsc2-c2nnc3cncc(-c4nnc(-c5cccnn5)nn4)n23)nc1,XFUHXRWBIROJLO-UHFFFAOYSA-N,3,1,0.286,99,887,438.44,2.014,6,0.398,0.56,0.999,0.03779727229113837,0.03178329106983757,0.007221917620450963,0.012490576382701665,0.022323264341032142
EOS-3-33744,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5cccnc5Cl)c4)n23)n1,LLZMFWIHOUZUTK-UHFFFAOYSA-N,3,1,0.554,4,43,435.9,4.246,5,0.381,0.78,1.0,0.43663902405592486,0.5453447330546227,0.3064731683914742,0.33715132615996163,0.40640206291549585
EOS-3-33745,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc7ccccn67)n5)n34)cn2)n1,AVRQYVLREIGFLG-UHFFFAOYSA-N,3,1,0.277,76,368,473.46,3.316,7,0.374,0.65,1.0,0.16232609142622165,0.11644164210814886,0.06920361866904257,0.09425330683297924,0.11055616475909807
EOS-3-33746,Cc1ccc(Cl)cc1-c1cnc(-c2nnc3cncc(OCCc4ccncc4F)n23)nc1,OTPOSXLLLYYCFH-UHFFFAOYSA-N,3,1,0.489,35,161,461.888,4.366,5,0.371,0.69,1.0,0.7728394215612364,0.7322493317798643,0.6828096086628743,0.7142416558152286,0.7255350044548009
EOS-3-33747,CCn1cnnc1-c1ccc(F)c(Oc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)c1F,NOXYBKWCWGNNQH-UHFFFAOYSA-N,3,1,0.448,61,451,476.447,3.5,5,0.399,0.69,1.0,0.7131622232883285,0.5313892125282709,0.45032040298814335,0.3371598930847783,0.5080079329723802
EOS-3-33748,Cn1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cn5)n34)c(F)c2)nn1,HCYNPCGAXDWNTQ-UHFFFAOYSA-N,3,1,0.314,99,502,470.432,2.104,6,0.368,0.63,1.0,0.3192635871427592,0.38655678157768486,0.10419950654513056,0.08662017682132822,0.22416001302172572
EOS-3-33749,CCOC(=O)c1ccc(-c2nnc3cncc(-c4cnn(CC)c4Cc4ccccc4)n23)nc1,GUDGXDCYNBPFMR-UHFFFAOYSA-N,3,1,0.307,52,523,453.506,3.837,5,0.345,0.74,0.983,0.0634209444177918,0.0195068878075526,0.10666678089233089,0.07972380234391063,0.06732960386539648
EOS-3-33750,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)ncc1Cl,GKTAKECCXKIGCP-UHFFFAOYSA-N,3,1,0.511,37,141,465.851,4.196,5,0.371,0.67,1.0,0.9407425810431088,0.9502175998903434,0.7777911041052704,0.7969981495442396,0.8664373586457406
EOS-3-33751,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)c2)n1,GJNIOOFTZMAIRD-UHFFFAOYSA-N,3,1,0.557,37,626,462.876,3.761,5,0.351,0.69,1.0,0.9437495716537592,0.9446490987595093,0.5334281406346378,0.5543571379617572,0.7440459872524159
EOS-3-33752,CCn1cncc1-c1nc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1F,PXFYLGQJZNZDEL-UHFFFAOYSA-N,3,1,0.443,27,69,466.427,4.12,5,0.356,0.73,0.996,0.5531834692618738,0.6026574600781304,0.6828181755876911,0.5767339455828936,0.6038482626276472
EOS-3-33753,COc1nc(-c2ccc(C)nc2)ccc1-c1nnc2cncc(OCc3cnc(F)c(F)c3)n12,AZVJIQARHXRVNR-UHFFFAOYSA-N,3,1,0.511,97,710,461.432,3.818,5,0.352,0.69,1.0,0.7728479884860531,0.6217874031937496,0.6584624083339045,0.49770406414913304,0.63770046604071
EOS-3-33754,Cc1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)n(C)n1,DGKLBLNFVAOODY-UHFFFAOYSA-N,3,1,0.409,53,587,417.408,2.403,5,0.429,0.65,1.0,0.40045233363032007,0.3819991775752176,0.21616921389897883,0.18512267836337468,0.29593585086697277
EOS-3-33755,Cc1cnc(-c2cnc(-c3nnc4cncc(OCc5nccc(F)c5F)n34)nn2)nc1,MXLWKMFUMYMTLD-UHFFFAOYSA-N,3,1,0.398,7,775,434.37,1.994,5,0.405,0.56,0.948,0.5454047015283394,0.45520355013364405,0.115019532588582,0.14281920361866904,0.3146117469673086
EOS-3-33756,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)cc1,ZEJRCRQSUUHTGB-UHFFFAOYSA-N,3,1,0.364,93,479,445.461,5.116,6,0.375,0.78,1.0,0.31691624974299226,0.46821670893016243,0.8208656020834761,0.8441762045096293,0.612543691316565
EOS-3-33757,Cc1cc(-c2nnc3cncc(OCc4nsc(-c5cccnc5)n4)n23)ccc1Cl,WILMPHLPBKBNES-UHFFFAOYSA-N,3,1,0.483,16,335,435.9,4.246,5,0.407,0.72,1.0,0.5454132684531561,0.6995750805290932,0.3101740799122747,0.3887070797066685,0.48596737715029814
EOS-3-33758,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)cnc5C(F)(F)F)n34)cn2)n1,ILUGNIBXTXXXLJ-UHFFFAOYSA-N,3,1,0.337,50,542,458.795,3.111,5,0.405,0.59,0.999,0.2583784524707011,0.4150675073675553,0.64991261736687,0.5892587896648619,0.47815434171749716
EOS-3-33759,COc1nc(-c2nnc3cncc(OCCc4cncs4)n23)ccc1-c1ncccc1F,WLTBDQAYMWZHQO-UHFFFAOYSA-N,3,1,0.451,49,501,449.471,3.474,5,0.372,0.65,1.0,0.6404890000685354,0.5133472688643684,0.20214515797409363,0.1714155986567062,0.38184925639092593
EOS-3-33760,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ccn2)cc1=O,PFFULBVKBBLXCS-UHFFFAOYSA-N,3,1,0.467,75,486,447.846,1.969,5,0.371,0.64,1.0,0.4206188746487561,0.3820077445000343,0.1884723459666918,0.17667569049414023,0.29194366390240556
EOS-3-33761,COCc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)nn5)ccn4)n23)cn1,NCYJXJZEIHQCGL-UHFFFAOYSA-N,3,1,0.5,92,185,461.873,2.812,5,0.357,0.62,1.0,0.5894729627852786,0.5787471729148105,0.2885939962990885,0.23699540812829828,0.423452385031869
EOS-3-33762,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)cn(C)c2=O)cn1,DBIRDAWYJRZKSX-UHFFFAOYSA-N,3,1,0.517,13,573,463.86,3.84,5,0.399,0.65,1.0,0.5018675896100336,0.39122575560276884,0.647102666027003,0.6569117949420876,0.5492769515454733
EOS-3-33763,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,BNTUETWTQNPLKF-UHFFFAOYSA-N,3,1,0.5,37,325,465.851,4.196,5,0.371,0.68,1.0,0.939885888561442,0.944657665684326,0.7402337057089987,0.7761291206908368,0.8502265951614009
EOS-3-33764,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,IEOCJFZCYRZOGZ-UHFFFAOYSA-N,3,1,0.53,35,846,413.416,3.404,5,0.421,0.78,1.0,0.7786734973613871,0.8643598793776985,0.5538345555479405,0.5608508669727914,0.6894296998149545
EOS-3-33765,COc1ncc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cncc(Cl)c1,KZKIAJPEOGEILI-UHFFFAOYSA-N,3,1,0.523,35,657,459.897,3.927,5,0.361,0.71,1.0,0.7728565554108697,0.7415530121307655,0.5601312452881914,0.49460283736549926,0.6422859125488314
EOS-3-33766,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5nnccc5Cl)n34)cnn2)nc1,QRMLIMZGVUPKGF-UHFFFAOYSA-N,3,1,0.415,92,65,432.835,2.369,5,0.408,0.59,1.0,0.44599410595572614,0.5839901309026112,0.09901651703104654,0.13366972791446782,0.31566762045096297
EOS-3-33767,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)nn1,KQGYSGUREHTMRS-UHFFFAOYSA-N,3,1,0.346,50,845,411.389,0.903,5,0.449,0.73,1.0,0.09539270783359605,0.04511342608457268,0.022214036049619627,0.012079363991501611,0.0436998834898225
EOS-3-33768,CCn1c(-c2ccnnc2)nnc1-c1cncc2nnc(-c3cnn(C)c3-c3ccc(F)cc3)n12,VJYCZDCKHGSNFI-UHFFFAOYSA-N,3,1,0.337,8,765,467.472,3.066,6,0.38,0.63,1.0,0.10288876704818038,0.28916798026180524,0.07783907888424371,0.1527825371804537,0.15566959084367077
EOS-3-33769,COc1cccnc1COc1cncc2nnc(-c3ccnc(-c4cn(C)nc4C)c3)n12,GIBZQHCQRROUMI-UHFFFAOYSA-N,3,1,0.489,92,43,428.456,2.878,5,0.407,0.61,1.0,0.19852134877664313,0.11645020903296553,0.1852768830100747,0.08486395723391131,0.14627809951339865
EOS-3-33770,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)s1,RDGRDRHAAHKQHR-UHFFFAOYSA-N,3,1,0.348,38,865,426.465,3.97,6,0.42,0.65,1.0,0.1209564114865328,0.11984271126036598,0.2776283325337537,0.26060585292303473,0.1947583270509218
EOS-3-33771,CCc1nc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)ccc1-c1ncc(F)n1C,MSIKFXLUNXJRJC-UHFFFAOYSA-N,3,1,0.367,7,690,445.462,2.966,5,0.392,0.61,0.957,0.4460026728805428,0.35814885888561443,0.08212254129257762,0.0544770749091906,0.23518778699198137
EOS-3-33772,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(F)c1,AMWINNBJHZSKDN-UHFFFAOYSA-N,3,1,0.472,16,212,436.838,3.353,5,0.417,0.59,1.0,0.532417243506271,0.6309283119731341,0.5925741895689124,0.5832448084435611,0.5847911383729697
EOS-3-33773,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)c(Cl)c1,CRWZKVIIEABNQA-UHFFFAOYSA-N,3,1,0.483,36,610,469.843,3.547,5,0.371,0.66,1.0,0.5637893221849085,0.723048454526763,0.6082773627578645,0.5705657597148928,0.6164202247961073
EOS-3-33774,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccc2F)cn1,XYQKZQKKJWJQCS-UHFFFAOYSA-N,3,1,0.547,4,71,447.861,4.323,5,0.396,0.64,1.0,0.7374837228428484,0.8320111712699609,0.745228222877116,0.7486207251045165,0.7658359605236105
EOS-3-33775,Fc1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncnc6)s5)n34)cn2)ccn1,PNOOAOBZTAOTCZ-UHFFFAOYSA-N,3,1,0.333,94,989,453.466,3.968,6,0.369,0.67,1.0,0.1985299157014598,0.3094972928517579,0.4357823315742581,0.45163114248509356,0.34886017065314234
EOS-3-33776,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c2)cc1,YBCOOPMEUOEICZ-UHFFFAOYSA-N,3,1,0.506,57,560,449.848,5.364,5,0.361,0.86,1.0,0.8688660818312659,0.8835069563429512,0.9634363648824618,0.9742820917003633,0.9225228736892606
EOS-3-33777,Cc1ncc(CCOc2cncc3nnc(-c4cc(-c5ncc(F)cn5)cnn4)n23)cn1,PPTZHYBPUKBEON-UHFFFAOYSA-N,3,1,0.43,65,65,430.407,1.897,5,0.394,0.56,0.999,0.7404136111301487,0.5936364882461792,0.08964430128161195,0.08309060379686108,0.37669625111370025
EOS-3-33778,Clc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)cc5)n34)cc2)n1,CBLIMHSTFHSLDV-UHFFFAOYSA-N,3,1,0.3,69,98,450.893,4.959,6,0.381,0.78,1.0,0.21488417517647865,0.25801864162840105,0.7142844904393119,0.7355732986087314,0.4806901514632308
EOS-3-33779,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccc4F)n23)cc1,FCNNUOJFIKPIBV-UHFFFAOYSA-N,3,1,0.632,97,232,416.391,4.106,5,0.429,0.72,1.0,0.9640017819203619,0.9319786169556576,0.9245510931396066,0.919333835926256,0.9349663319854706
EOS-3-33780,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ocnc4-c4cccc(F)n4)n23)cn1,PSKZLYUAMJXHMQ-UHFFFAOYSA-N,3,1,0.298,70,392,439.414,3.443,6,0.384,0.63,0.983,0.33187410047289423,0.27364471249400313,0.23053594681653075,0.254668974025084,0.272680933452128
EOS-3-33782,Clc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3nccnc3-c3cccnc3)n12,PWLHLUHVNMKKNC-UHFFFAOYSA-N,3,1,0.289,64,449,452.865,4.619,6,0.381,0.71,0.883,0.2824857789048043,0.3288842437118772,0.5368977451853882,0.6310225481461175,0.4448225789870468
EOS-3-33783,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cc(F)nc(F)c5)n4)n23)ccn1,CMVINQYNIQGWCM-UHFFFAOYSA-N,3,1,0.472,7,43,432.394,3.204,5,0.39,0.58,1.0,0.6091683229387979,0.5088153656363512,0.5736926872729765,0.5045918717017339,0.5490670618874649
EOS-3-33784,Cc1ccccc1-c1ccnc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)c1,PPBDZCAVFWEDCF-UHFFFAOYSA-N,3,1,0.418,46,160,429.871,4.184,5,0.387,0.69,1.0,0.6710129531903228,0.5546055787814406,0.5893615927626619,0.5767425125077102,0.5979306593105339
EOS-3-33785,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(C)nc4-c4ncnn4C)n23)cn1,CUFWFXUVTHPCHE-UHFFFAOYSA-N,3,1,0.396,7,185,457.458,1.019,5,0.391,0.6,1.0,0.2479525049688164,0.1411315194297855,0.007230484545267631,0.0014649441436501954,0.09944486327187993
EOS-3-33786,Cc1nccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)n1,QQXKFDWHKIZNTP-UHFFFAOYSA-N,3,1,0.512,16,256,419.445,3.731,5,0.429,0.7,1.0,0.7898190665478719,0.684600095949558,0.4432269892399424,0.4008721129463368,0.5796295661709273
EOS-3-33787,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n[nH]2)nn1,WIQFUDYGMGQVLM-UHFFFAOYSA-N,3,1,0.282,98,890,424.432,1.772,6,0.453,0.57,1.0,0.04234630936878898,0.08850490028099513,0.07556884380782675,0.07416386813789322,0.07014598039887601
EOS-3-33788,Fc1ccc(-c2cc(-c3nnc4cncc(Cc5ccc(Cl)cc5)n34)ncn2)cc1Cl,CYCQHJYJLRJNIY-UHFFFAOYSA-N,3,1,0.358,44,358,451.292,5.285,5,0.372,0.83,0.222,0.4026283325337537,0.49046501267904874,0.9312761291206908,0.965004112123912,0.6973433966143513
EOS-3-33789,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1-c1ccccc1F,SKHYKDWESVFJGP-UHFFFAOYSA-N,3,1,0.452,95,835,450.865,3.396,5,0.391,0.61,0.998,0.4694589130285793,0.41507607429237203,0.3396528682064286,0.44522308272222605,0.4173527345624015
EOS-3-33790,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)nc2F)n1C,BHHAMYVVYMUJOB-UHFFFAOYSA-N,3,1,0.527,19,442,447.449,3.795,5,0.368,0.67,1.0,0.6648104996230553,0.5686382016311425,0.4953138921252827,0.4734425330683298,0.5505512816119525
EOS-3-33791,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cc(C)nn5C)n4)n23)n1,OBGQMJSWCKHZJD-UHFFFAOYSA-N,3,1,0.241,76,176,460.505,3.723,6,0.391,0.63,0.441,0.026634569255020217,0.008823932561167843,0.08213110821739428,0.07221917620450963,0.04745219655952299
EOS-3-33792,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5ccnc(F)c5)n4)n23)ccc1Cl,FPTMFOMJORYXGP-UHFFFAOYSA-N,3,1,0.457,16,401,447.861,4.323,5,0.37,0.7,1.0,0.7871290521554383,0.8809882804468508,0.7686073607018025,0.7690699746419025,0.8014486669864984
EOS-3-33793,Cn1cnnc1-c1ncccc1-c1nnc2cncc(-c3cn(-c4cccnc4F)nn3)n12,BUWNGSFSWUYOPW-UHFFFAOYSA-N,3,1,0.27,99,312,440.406,1.764,6,0.376,0.57,0.981,0.0018076211363169078,0.0885134672058118,0.05344904393119046,0.08662874374614489,0.05759971900486602
EOS-3-33794,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)nn1,GDJJUOANUNQGNG-UHFFFAOYSA-N,3,1,0.523,75,359,445.874,3.017,5,0.363,0.62,1.0,0.710206634226578,0.7183623466520458,0.24839798505928312,0.26061441984785144,0.48439534644643967
EOS-3-33795,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cc(Cl)n2)c1,ZCZNHUSDZXIZGZ-UHFFFAOYSA-N,3,1,0.473,75,324,448.849,3.452,5,0.364,0.61,0.985,0.7317524501404976,0.7631073949695018,0.4609005551367281,0.5211774381468028,0.6192344595983825
EOS-3-33796,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccnc5F)n34)nc2)n1C,LBAGEDYRJFCWKT-UHFFFAOYSA-N,3,1,0.313,70,968,464.468,3.553,6,0.364,0.64,0.773,0.17305188129668975,0.23779213213624836,0.1657699952025221,0.19873552189705984,0.19383738263313
EOS-3-33797,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(Cl)nc5)n34)c(F)c2)cn1,QYJZUUFNSAVAKR-UHFFFAOYSA-N,3,1,0.351,96,478,417.835,4.411,5,0.404,0.77,1.0,0.33437564251936125,0.5639949283805086,0.7996281954629566,0.8223733808512097,0.630093036803509
EOS-3-33798,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)nn1,XVNDLZXDBPDXHV-UHFFFAOYSA-N,3,1,0.3,99,719,452.417,2.035,6,0.365,0.58,0.734,0.07497772599547667,0.19370673702967584,0.11800938934959906,0.16319135083270508,0.13747130080186415
EOS-3-33799,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncn(-c5cc(C(F)F)cnn5)n4)n23)cc1,QFKKODRMLKRJQK-UHFFFAOYSA-N,3,1,0.475,36,51,464.396,1.778,5,0.38,0.61,0.998,0.31438043999725857,0.23268624494551435,0.2958244808443561,0.21660612706462887,0.26487432321293947
EOS-3-33800,Cn1cc(-c2ncnc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)cn1,YROILEKFCVIBCX-UHFFFAOYSA-N,3,1,0.422,56,614,466.469,1.751,6,0.356,0.61,1.0,0.36220958124871494,0.212476869302995,0.046235693235556166,0.02760263175930368,0.16213119388664246
EOS-3-33801,COc1ccnc(F)c1COc1cncc2nnc(-c3cc(-c4ncccc4F)ccn3)n12,IFXDQFKJOFMXQJ-UHFFFAOYSA-N,3,1,0.398,46,181,447.405,3.509,5,0.365,0.65,1.0,0.7580786101021177,0.5407014598039888,0.6411229525049689,0.5509989034336235,0.6227254814611747
EOS-3-33802,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)cc1,UEYFZNQMVIJCEU-UHFFFAOYSA-N,3,1,0.314,64,365,418.42,3.965,6,0.423,0.72,1.0,0.11306627373038174,0.06760160372832567,0.2660801178808855,0.33387019395517786,0.1951545473236927
EOS-3-33803,Fc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccc(F)cn5)c4)n23)cc1,LTUISNCUBDMCAZ-UHFFFAOYSA-N,3,1,0.405,57,358,433.849,5.376,5,0.382,0.81,1.0,0.5582293879788911,0.7461534507573162,0.9630422863408951,0.9779401685970804,0.8113413234185457
EOS-3-33804,Cc1ccncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)c1,ZBKLGKOSZNOGCG-UHFFFAOYSA-N,3,1,0.494,2,76,427.443,3.712,5,0.382,0.68,1.0,0.734579535329998,0.6945291618120759,0.6526626002330204,0.5861489959564115,0.6669800733328763
EOS-3-33805,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)ncn1,WERHGHMVTCNDKY-UHFFFAOYSA-N,3,1,0.453,7,185,428.416,1.055,5,0.418,0.55,1.0,0.3829244054554177,0.15641491330272086,0.03866253169762182,0.015086354602152012,0.1482720512644781
EOS-3-33806,Cc1nc(CCOc2cncc3nnc(-c4cnc(-c5cncc(F)c5)cn4)n23)ccc1F,TWPWUVKTSCFNCC-UHFFFAOYSA-N,3,1,0.408,18,720,446.421,3.246,5,0.392,0.6,0.977,0.7317610170653143,0.602666027002947,0.4432355561647591,0.4326468370913577,0.5525773593310945
EOS-3-33807,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)nc1,ZUEQJKJEZSIKHP-UHFFFAOYSA-N,3,1,0.402,46,564,420.383,2.839,5,0.431,0.6,1.0,0.6770355013364403,0.4953652936741827,0.5768881502295936,0.5211860050716195,0.5676187375779591
EOS-3-33808,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(C)n1,PGTBOWMNNSUUAB-UHFFFAOYSA-N,3,1,0.315,82,246,410.441,2.707,5,0.489,0.78,1.0,0.01814474676170242,0.02177712288396957,0.1291206908368172,0.0942618737577959,0.06582610856007128
EOS-3-33809,Fc1cncc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)c1,HKMUJHJBLFMQME-UHFFFAOYSA-N,3,1,0.512,2,419,451.824,4.154,5,0.396,0.65,1.0,0.695017476526626,0.7846189431841546,0.8882101980673017,0.9002038928106367,0.8170126276471797
EOS-3-33810,CCn1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)cc1=O,OANHOGLEGVWYTE-UHFFFAOYSA-N,3,1,0.479,24,486,460.885,3.057,5,0.355,0.69,1.0,0.3690973888013159,0.32889281063669384,0.25532006031115073,0.2637413474059352,0.3042629017887739
EOS-3-33811,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5nccnc5F)c4)n23)c1,MWUZOEFUUOZEMD-UHFFFAOYSA-N,3,1,0.585,97,521,416.391,4.106,5,0.429,0.75,1.0,0.8811681858680008,0.8320197381947776,0.8386077033787952,0.8324652182852443,0.8460652114317044
EOS-3-33812,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(Cl)cn5C)cc4F)n23)cc1,GBRHWOFBPFKGHY-UHFFFAOYSA-N,3,1,0.472,62,451,477.887,4.136,5,0.408,0.7,1.0,0.7554742649578507,0.6172469330409156,0.6471112329518196,0.5477006373792064,0.6418832670824481
EOS-3-33813,Clc1cnc(CCOc2cncc3nnc(-c4cc(-c5cccc(Cl)n5)cnn4)n23)nc1,FEQFLAIJKKNKRP-UHFFFAOYSA-N,3,1,0.4,54,873,466.292,3.362,5,0.347,0.65,1.0,0.5324258104310876,0.5546141457062573,0.22315982454937974,0.3630491398807484,0.41831223014186825
EOS-3-33814,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)ncc1Cl,NGZGQVQINVKCBN-UHFFFAOYSA-N,3,1,0.549,75,496,438.875,4.681,5,0.396,0.71,1.0,0.6523113563155369,0.6798368857514906,0.7885768624494551,0.8057021451579741,0.7316068124186142
EOS-3-33815,Cc1nc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc(-c2nnn(C)n2)n1,CPRSANDFXPPKIK-UHFFFAOYSA-N,3,1,0.439,63,926,483.496,1.551,6,0.361,0.79,0.999,0.3242409704612432,0.1008327050921801,0.008018641628401069,0.005191556438900692,0.10957096840518127
EOS-3-33816,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)c(Cl)c1,LZRQASVRKUGNIS-UHFFFAOYSA-N,3,1,0.483,4,770,434.912,4.851,5,0.393,0.77,1.0,0.7436861764101158,0.8458296209992461,0.5095778219450346,0.5413354122404221,0.6601072578987046
EOS-3-33817,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nc(C)n(C)n5)n4)n23)cn1,MWZISBOLBQUZBP-UHFFFAOYSA-N,3,1,0.5,4,677,431.435,2.712,5,0.418,0.59,1.0,0.42764375299842367,0.504463367829484,0.07349564800219313,0.05888047426495785,0.26612081077376465
EOS-3-33818,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)n1,MEOLJEBRBJOGEI-UHFFFAOYSA-N,3,1,0.542,44,294,465.851,4.462,5,0.378,0.71,1.0,0.8554417106435473,0.7589353025837845,0.7907614282777055,0.814448975395792,0.8048968542252073
EOS-3-33819,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3nnc(-c4ccccn4)s3)n12,HCXIEYTYQRASAE-UHFFFAOYSA-N,3,1,0.341,38,608,465.502,3.837,6,0.374,0.72,1.0,0.15945617161263792,0.0945531492015626,0.11801795627441573,0.11130148721814817,0.1208321910766911
EOS-3-33820,N#Cc1cc(COc2cncc3nnc(-c4ccc(-c5nnc(C(F)F)s5)nc4)n23)ncn1,SMMDIIOFMFRYMK-UHFFFAOYSA-N,3,1,0.418,27,617,464.421,2.883,5,0.368,0.66,0.989,0.5722191762045097,0.6506836406003701,0.27763689945857034,0.22492461106161332,0.4313660818312658
EOS-3-33821,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c2)s1,GDRQXHCEWXTPJX-UHFFFAOYSA-N,3,1,0.571,4,506,419.445,3.731,5,0.429,0.67,1.0,0.4553663217051607,0.5178192036186691,0.3325337536837777,0.3307175656226441,0.40910921115756294
EOS-3-33822,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)cn1,MWWCGKAKNABTLC-UHFFFAOYSA-N,3,1,0.318,10,705,454.885,3.488,6,0.401,0.6,1.0,0.03372798300322116,0.22283428140634637,0.30648173531629086,0.3852460420807347,0.2370725104516483
EOS-3-33823,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)o1,FGXCSRTXKWLBFQ-UHFFFAOYSA-N,3,1,0.454,87,838,434.847,3.215,5,0.397,0.63,1.0,0.5193783839353026,0.5224710437941197,0.17559625796724007,0.18513124528819136,0.35064423274621337
EOS-3-33824,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccnc6Cl)n5)n34)cc2)nn1,QNYQYOZFZQUGLV-UHFFFAOYSA-N,3,1,0.284,3,289,466.896,3.853,6,0.36,0.66,0.945,0.032554314303337675,0.16402234253992187,0.2697467617024193,0.3338787608799945,0.20005054485641832
EOS-3-33825,Fc1cc(-c2c[nH]nn2)cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)c1,CBFNPDJDVVEHTR-UHFFFAOYSA-N,3,1,0.551,27,51,456.363,3.708,5,0.402,0.62,1.0,0.4366475909807416,0.5889332465218285,0.9708124871496128,0.9376756219587417,0.7335172366527312
EOS-3-33826,c1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)s2)c1,GWHCKYDVBWAFKC-UHFFFAOYSA-N,3,1,0.462,80,584,454.479,3.069,6,0.403,0.64,1.0,0.38517750668220135,0.4331008841066411,0.11502809951339867,0.10667534781714756,0.25999545952984715
EOS-3-33827,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)c(F)c4)n23)c1,RKVQMYKLBKHRIC-UHFFFAOYSA-N,3,1,0.696,88,222,447.42,4.892,5,0.371,0.74,1.0,0.9838085120964979,0.9749160441367967,0.9377098896580084,0.9411195257350421,0.9593884929065863
EOS-3-33828,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)n1,OCEZYJAZGCFOCV-UHFFFAOYSA-N,3,1,0.602,35,619,415.432,3.347,5,0.423,0.72,1.0,0.7842762661914879,0.69958364745391,0.5830649030224111,0.5278767733534371,0.6487003975053116
EOS-3-33829,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)ns1,RLHHBGIUSIVYFR-UHFFFAOYSA-N,3,1,0.5,16,921,435.9,4.246,5,0.381,0.74,1.0,0.5376087999451716,0.5686467685559592,0.37374066205194983,0.40088067987115344,0.47021922760605855
EOS-3-33830,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnoc6)cc5)n34)cn2)ccn1,WQBLWJVFOKHAOE-UHFFFAOYSA-N,3,1,0.333,69,174,417.432,4.57,6,0.415,0.83,1.0,0.09540127475841272,0.10403673497361388,0.6964567198958262,0.6919076828181756,0.3969506031115071
EOS-3-33832,CONC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccc(F)nc5)ncn4)n23)cn1,FUZSTYLHTUOQDL-UHFFFAOYSA-N,3,1,0.343,85,290,457.429,2.059,5,0.3,0.69,1.0,0.32947536152422724,0.24320642862038241,0.2553286272359674,0.17142416558152285,0.24985864574052497
EOS-3-33833,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccc2F)cn1,JRFDGUAYZBTTHI-UHFFFAOYSA-N,3,1,0.457,92,394,450.865,3.836,5,0.388,0.65,1.0,0.4718919196765129,0.5889418134466452,0.5669847851415256,0.5577410732643411,0.5463898978822561
EOS-3-33834,Cn1cc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)cn1,UAJHYRANJLVJMN-UHFFFAOYSA-N,3,1,0.645,13,15,420.835,4.777,5,0.418,0.77,1.0,0.5696062641354259,0.6506922075251867,0.9114351312452882,0.9118035090124049,0.7608842779795765
EOS-3-33835,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cnc5F)n34)cn2)nc1,VJFLRAJPHHCUHK-UHFFFAOYSA-N,3,1,0.533,73,263,450.384,3.077,5,0.364,0.63,1.0,0.9144935234048386,0.9319871838804743,0.5830734699472278,0.5767510794325269,0.7515763141662669
EOS-3-33837,Fc1ccc(Oc2cncc3nnc(-c4cc(F)nc(-c5cccnn5)c4)n23)c(F)c1,UJFQZPDFIXGPMJ-UHFFFAOYSA-N,3,1,0.449,13,251,421.342,3.853,5,0.407,0.66,0.995,0.6553440477006374,0.771845658282503,0.8481683914741964,0.8547392228085806,0.7825243300664793
EOS-3-33838,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cn4)n23)nn1,YXURJRHTJSQOGH-UHFFFAOYSA-N,3,1,0.256,99,14,469.86,1.944,6,0.372,0.61,0.578,0.10013021725721336,0.16791172640668905,0.03712905215543828,0.07791618120759372,0.0957717942567336
EOS-3-33839,Clc1ncc(-c2ncncc2-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cn1,APGSCUKVXKOTDZ-UHFFFAOYSA-N,3,1,0.294,86,790,465.868,3.211,6,0.357,0.65,0.819,0.2637756151052018,0.3676838462065657,0.2993626207936399,0.33716846000959494,0.3169976355287506
EOS-3-33840,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5c[nH]cn5)c(F)c4)n23)c(F)n1,VMPJDBHNCBQKRZ-UHFFFAOYSA-N,3,1,0.523,59,772,423.358,3.573,5,0.435,0.62,1.0,0.9490182304160099,0.7761034199163868,0.8870707970666849,0.8662960043862655,0.8696221129463368
EOS-3-33842,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccnnc6)n5)n34)cc2)nn1,OIOLZBDWOGCEOC-UHFFFAOYSA-N,3,1,0.299,38,270,443.474,4.076,6,0.401,0.61,1.0,0.12954903707765061,0.10084127201699677,0.4248423685833733,0.40379343430882053,0.26475652799671034
EOS-3-33843,COc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncc(F)cn1,MJDSWXXKELWACL-UHFFFAOYSA-N,3,1,0.396,46,896,465.836,2.813,5,0.369,0.6,0.998,0.6316907682818176,0.5640034953053252,0.19189054896854224,0.18251833321910768,0.3925257864436982
EOS-3-33844,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cc(C)nn5C)ncc4F)n23)ccn1,DQEVOWLOBZYCHS-UHFFFAOYSA-N,3,1,0.467,92,677,430.447,3.317,5,0.422,0.61,1.0,0.5193869508601192,0.3723528202316497,0.40684325954355427,0.2932629703241724,0.3979615002398739
EOS-3-33845,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1nsc(C)n1,WSQZMPNJOAYQQP-UHFFFAOYSA-N,3,1,0.529,4,248,451.537,3.971,5,0.382,0.71,1.0,0.32165375916660954,0.25317832910698373,0.061047906243574805,0.027611198684120347,0.16587279830032212
EOS-3-33846,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)c4)n23)ccc1F,UKCYRKASERAIMQ-UHFFFAOYSA-N,3,1,0.535,4,702,458.844,3.886,5,0.389,0.65,1.0,0.8645055170995819,0.9161212391200055,0.7352563223905147,0.7329004180659311,0.8121958741690083
EOS-3-33847,Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)c(F)c5)n4)n23)cn1,WAXRESFKFZPXQZ-UHFFFAOYSA-N,3,1,0.479,4,975,420.383,2.933,5,0.431,0.65,1.0,0.42062744157357274,0.45952984716606127,0.5233705708998698,0.5046004386265506,0.47703207456651364
EOS-3-33848,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)o5)n34)cn2)cc1,STYZXXCTTJCXTB-UHFFFAOYSA-N,3,1,0.362,32,179,449.474,4.522,6,0.382,0.7,1.0,0.14556061956000274,0.03779727229113837,0.49883489822493315,0.4008892467959701,0.2707705092180111
EOS-3-33849,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)ccc1-c1ccnnc1,ZUVRUHLAXFAQAK-UHFFFAOYSA-N,3,1,0.463,4,83,446.858,3.279,5,0.362,0.62,1.0,0.620382427523816,0.6261051333013501,0.5669933520663423,0.4763210198067302,0.5724504831745596
EOS-3-33850,COc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ccccn1,LAFGFKXYKWOIRM-UHFFFAOYSA-N,3,1,0.489,97,61,444.882,4.489,5,0.381,0.68,1.0,0.892125282708519,0.7183709135768624,0.7428894524021658,0.6804622712631074,0.7584619799876636
EOS-3-33852,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccc2F)cn1,QVMOLZCPAJWJEP-UHFFFAOYSA-N,3,1,0.527,87,494,445.433,3.851,5,0.392,0.61,1.0,0.9239514084024398,0.9270869028853402,0.7142930573641286,0.677429579878007,0.8106902371324789
EOS-3-33853,Cc1cc(COc2cncc3nnc(-c4cc(-c5ncn(C)n5)cc(F)n4)n23)n(C)n1,HETXXYTYQYJDMT-UHFFFAOYSA-N,3,1,0.394,31,662,420.412,1.742,5,0.395,0.69,0.534,0.3039544924953739,0.2891765471866219,0.061056473168391474,0.03760879994517168,0.17294907819888972
EOS-3-33854,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnc(C)nc5)cc4Cl)n23)n1,YIBQKSIIUDYDMG-UHFFFAOYSA-N,3,1,0.512,4,677,449.927,4.554,5,0.388,0.76,1.0,0.49418305804948254,0.6798454526763074,0.36585909122061544,0.3561784661777808,0.4740165170310465
EOS-3-33855,Cc1nc(-c2nnc(Cc3ccccc3)nn2)c(-c2cncc3nnc(C(F)(F)F)n23)o1,OFVNACRXKOHJFX-UHFFFAOYSA-N,3,1,0.26,22,542,439.361,2.944,5,0.416,0.55,0.918,0.19853848262627646,0.21740285107257898,0.2128538139949284,0.20767082448084437,0.20911649304365706
EOS-3-33856,Cc1cnc(-c2nnc3cncc(OCc4cccc(-c5cnc(F)cn5)c4)n23)cn1,CITPZEIEDBCQBE-UHFFFAOYSA-N,3,1,0.429,7,720,414.404,3.065,5,0.432,0.7,1.0,0.6917877458707422,0.5787557398396271,0.42108148858885613,0.36934582962099927,0.5152427009800562
EOS-3-33857,CCOc1cnccc1-c1nnc2cncc(-c3ncnc(-c4cccc(F)c4)n3)n12,WMUNBSNBFJRRLX-UHFFFAOYSA-N,3,1,0.378,29,704,414.404,3.243,5,0.432,0.73,1.0,0.43665615790555823,0.5313977794530875,0.3178072099239257,0.3212168460009595,0.4017694983208827
EOS-3-33858,N#Cc1cccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)c1,QYUBWTUEOULIMA-UHFFFAOYSA-N,3,1,0.539,43,146,457.856,4.491,5,0.383,0.72,1.0,0.82491775752176,0.9642502227400452,0.9075628812281543,0.9255191556438901,0.9055625042834624
EOS-3-33859,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cnc1Cl,GMUSQOYFRUQMRS-UHFFFAOYSA-N,3,1,0.477,24,786,450.289,4.529,5,0.364,0.73,1.0,0.7955674730998561,0.7803354807758207,0.7274946885066137,0.7665512987458022,0.7674872352820231
EOS-3-33860,OCc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)ncn2)nc1,SYBKEWJRZKQZOP-UHFFFAOYSA-N,3,1,0.438,18,481,461.873,2.2,5,0.359,0.65,0.979,0.44354396545815916,0.3865653485025015,0.16577856212733877,0.1796655472551573,0.2938883558357892
EOS-3-33861,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)[nH]c1F,WETGAWNFMNHKBP-UHFFFAOYSA-N,3,1,0.57,35,393,433.422,3.785,5,0.438,0.63,0.999,0.6800681927215406,0.5981855253238297,0.6828267425125077,0.6399150161058187,0.6502488691659242
EOS-3-33862,COc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(OC)n5)n34)cnn2)nn1,RWCAYPRCGJKCRG-UHFFFAOYSA-N,3,1,0.44,53,226,443.427,2.029,5,0.365,0.59,0.981,0.36221814817353165,0.1982900418065931,0.1180265231992324,0.047837708176273044,0.18159310533890755
EOS-3-33863,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nc2)n1,ISHJBFXAMXSKEI-UHFFFAOYSA-N,3,1,0.478,40,363,461.489,3.623,6,0.37,0.65,1.0,0.3437050236447125,0.184985607566308,0.31394352683160853,0.2754437667055034,0.27951948118703307
EOS-3-33864,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)n5)nn4)n23)cn1,KXCVKYAJTBJQGW-UHFFFAOYSA-N,3,1,0.306,86,312,455.873,2.883,6,0.372,0.62,0.916,0.034944486327187996,0.1164587759577822,0.1382016311424851,0.1987440888218765,0.12208724556233295
EOS-3-33865,Cc1nc(-c2nnc3cncc(OCc4cc(Cl)sn4)n23)ccc1-c1cncn1C,WOYDNAMBNSVUID-UHFFFAOYSA-N,3,1,0.433,7,690,438.904,3.584,5,0.413,0.61,0.97,0.2907871290521554,0.40105201836748683,0.17880028784867383,0.17967411417997395,0.2625783873620725
EOS-3-33866,Clc1cc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)ccn1,OESHDSHWHNFLRX-UHFFFAOYSA-N,3,1,0.342,30,945,463.892,4.421,6,0.353,0.71,0.999,0.2260725789870468,0.3198547049551093,0.46426735658967855,0.5801093139606607,0.3975759886231238
EOS-3-33867,Cc1nn(C(F)F)cc1CCOc1cncc2nnc(-c3cccc(-c4ncnn4C)c3)n12,ZLYZXTROPYLVIJ-UHFFFAOYSA-N,3,1,0.524,36,931,451.441,3.108,5,0.375,0.62,1.0,0.34147762319237884,0.3912343225275855,0.3064903022411075,0.22222602974436295,0.3153570694263587
EOS-3-33868,COc1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc(-c2cncnn2)n1,SLNLRBLGLOOKKD-UHFFFAOYSA-N,3,1,0.374,7,128,448.834,2.069,5,0.377,0.56,1.0,0.49419162497429925,0.5314063463779042,0.09188883558357892,0.09240285107257899,0.30247241450209034
EOS-3-33869,COc1nnc(-c2cccc(-c3nnc4cncc(Cc5ccc(F)c(Cl)c5)n34)c2)s1,OTLLKVJBUACOSK-UHFFFAOYSA-N,3,1,0.414,14,358,452.902,4.702,5,0.384,0.75,1.0,0.5609194023713248,0.6217959701185662,0.6317250359810842,0.6686142142416558,0.6207636556781577
EOS-3-33870,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6conn6)nc5)n34)nc2)ccn1,BOOBEBFMSYBAEU-UHFFFAOYSA-N,3,1,0.273,70,392,437.398,3.499,6,0.381,0.64,1.0,0.20964121718867795,0.2432149955451991,0.5058854773490508,0.5243986018778699,0.3707850729901994
EOS-3-33871,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)nn4)n23)c(F)c1,XQOAASLNKWEBAX-UHFFFAOYSA-N,3,1,0.32,45,315,437.36,4.526,5,0.385,0.66,0.596,0.30396305942019053,0.5088239325611679,0.9131570831334385,0.9214755671304229,0.661854910561305
EOS-3-33872,N#Cc1nc(Cc2cncc3nnc(-c4nccnc4-c4ncncc4F)n23)ccc1F,AGKGHJCCRWBFSY-UHFFFAOYSA-N,3,1,0.301,85,674,428.366,2.174,5,0.422,0.55,0.378,0.3242495373860599,0.3289013775615105,0.25533719416078404,0.33717702693441165,0.31141628401069155
EOS-3-33873,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cncc(C)n5)n34)c2)ncn1,QAXVKKIGAMBVJJ-UHFFFAOYSA-N,3,1,0.414,65,822,425.456,2.672,5,0.405,0.6,1.0,0.4918785552737989,0.28393358919882117,0.13196490987595094,0.08844493180727846,0.24905549653896236
EOS-3-33874,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)s2)ccn1,CFHGEPFZPZFCPP-UHFFFAOYSA-N,3,1,0.333,38,787,423.461,4.632,6,0.408,0.73,1.0,0.1623346583510383,0.20289904735796038,0.4919642245219656,0.4914245082585155,0.33715560962236996
EOS-3-33875,Cc1cnc(-c2nnc3cncc(-c4c(-c5ncc(F)cn5)nc(C)n4C(C)C)n23)cn1,IHQFNSPXXIOTAB-UHFFFAOYSA-N,3,1,0.248,50,206,430.451,3.239,5,0.427,0.58,0.73,0.12955760400246727,0.17215235419093963,0.04299739565485573,0.030326913851004042,0.09375856692481667
EOS-3-33876,Cn1ccnc1-c1nnc2cncc(OCc3nccc(-c4cccc(Cl)n4)n3)n12,MBKGOVCGFJZNDZ-UHFFFAOYSA-N,3,1,0.351,51,486,419.836,2.609,5,0.4,0.64,1.0,0.2962442601603728,0.23269481187033103,0.08474402028647797,0.11376019464053183,0.1818608217394284
EOS-3-33877,Cc1cc(Cl)nc(CCc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)n1,AHYVBEGLTGQJMX-UHFFFAOYSA-N,3,1,0.297,7,296,430.863,2.575,5,0.387,0.63,0.565,0.2505911178123501,0.2327033787951477,0.0430059625796724,0.0722277431293263,0.14963205057912413
EOS-3-33878,Fc1ccnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)c1,NBIUCHSNSFNAEK-UHFFFAOYSA-N,3,1,0.406,11,954,465.851,4.196,5,0.347,0.71,0.995,0.7554828318826674,0.7044325269001439,0.7016311424850935,0.7640668905489686,0.7314033479542184
EOS-3-33879,Cn1ncnc1-c1ccc(-c2nnc3cncc(CCc4ccc(F)c(F)c4)n23)cc1,BGJIHGZISAABLZ-UHFFFAOYSA-N,3,1,0.535,61,886,417.423,3.65,5,0.436,0.71,1.0,0.4046501267904873,0.4552121170584607,0.6801966965937907,0.6889520937564252,0.557252758549791
EOS-3-33880,Cc1nc(-c2cc(-c3nnc4cncc(OCc5sncc5C)n34)ccn2)cs1,FZZHXBAXHBBVCB-UHFFFAOYSA-N,3,1,0.544,75,99,421.511,3.962,5,0.424,0.72,1.0,0.3143890069220753,0.28918511411143855,0.08475258721129464,0.06505722705777534,0.18834598382564594
EOS-3-33881,Cn1nc(-c2cncc(-c3nnc4cncc(Cc5ccc(F)c(F)c5)n34)c2)nc1C(F)F,RCOTVRISGNDICS-UHFFFAOYSA-N,3,1,0.365,85,81,454.391,3.788,5,0.376,0.67,0.999,0.2637841820300185,0.3865739154273182,0.7452367898019328,0.7329089849907477,0.5321259680625043
EOS-3-33882,CCc1n[nH]c(-c2ccc(-c3nnc4cncc(CCc5ccccc5)n34)nc2CC)n1,NJEPBBVMRSUPGS-UHFFFAOYSA-N,3,1,0.337,52,886,424.512,3.881,5,0.426,0.73,0.037,0.10545027756836406,0.08852203413062847,0.03328250291275444,0.041421081488588855,0.06716897402508396
EOS-3-33883,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)o2)cn1,NKKBPMBERLEIPI-UHFFFAOYSA-N,3,1,0.365,38,641,452.865,4.619,6,0.356,0.77,1.0,0.21227126310739497,0.4285004454800905,0.540204578164622,0.6280069906106504,0.4522458193406894
EOS-3-33884,Fc1cnc(-c2nc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)ccc2F)nc1,JZBJWOAPPQALHQ-UHFFFAOYSA-N,3,1,0.413,73,775,470.802,3.688,5,0.383,0.65,1.0,0.6738400383798232,0.7631159618943184,0.6718953464464396,0.7381776437529984,0.7117572476183949
EOS-3-33885,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cn5)n34)c2)cn1,AGMZBKQFKXSQQZ-UHFFFAOYSA-N,3,1,0.522,27,343,463.423,4.55,5,0.378,0.71,1.0,0.5506133918168734,0.665101775066822,0.9473562470015763,0.8696799396888493,0.7581878383935303
EOS-3-33886,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)sn2)n1C,LVPDWIAXJBKSPC-UHFFFAOYSA-N,3,1,0.404,31,915,439.892,2.979,5,0.411,0.58,0.998,0.4004609005551367,0.42413988074840653,0.025272428209170035,0.049354053868823244,0.22480681584538414
EOS-3-33887,COc1cc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccc4F)n23)ccc1Cl,NGEYHUPLKOFZNK-UHFFFAOYSA-N,3,1,0.512,36,258,466.864,3.362,5,0.375,0.68,1.0,0.7643324652182852,0.8054622712631074,0.6141457062572819,0.5832533753683777,0.6917984545267631
EOS-3-33888,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)cn1,IUTORJZAVVYVNU-UHFFFAOYSA-N,3,1,0.684,91,322,414.444,3.952,5,0.421,0.79,1.0,0.5923685833733123,0.6261137002261669,0.7614882461791516,0.72470187101638,0.6761681001987527
EOS-3-33889,CC(C)n1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nn1,UOYAZEIIYMBOJW-UHFFFAOYSA-N,3,1,0.289,38,63,460.505,4.15,6,0.377,0.67,1.0,0.09784284833116305,0.07137105064765951,0.2058032348708108,0.15539544924953738,0.13260314577479268
EOS-3-33890,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnnc(-c5ncccn5)n4)n23)cc1,JVDYLGZKWVOEFX-UHFFFAOYSA-N,3,1,0.309,39,972,449.413,2.696,6,0.395,0.55,0.934,0.26110273456240146,0.2839421561236379,0.10420807346994723,0.19063121102049208,0.20997104379411966
EOS-3-33891,COc1ccc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)cc1-c1cscn1,PWTDDFNAGYRARO-UHFFFAOYSA-N,3,1,0.495,4,224,453.915,3.889,5,0.385,0.67,1.0,0.40263689945857034,0.5133558357891851,0.38861284353368514,0.3119902679734083,0.4041489616887122
EOS-3-33892,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)nc1,QTBVQICXZGRFJU-UHFFFAOYSA-N,3,1,0.292,10,37,453.416,3.774,6,0.401,0.58,1.0,0.011513946953601535,0.18499417449112465,0.5168511411143856,0.6251884723459666,0.33463693372626957
EOS-3-33893,CCc1ncc(-c2cc(-c3nnc4cncc(COc5cc(C)ccn5)n34)nc(C)n2)cc1F,JLNHQBFHGTXYPN-UHFFFAOYSA-N,3,1,0.3,85,500,456.485,3.936,5,0.379,0.67,1.0,0.4253049825234734,0.3958690288534028,0.25210746350490026,0.17143273250633953,0.31117855184702903
EOS-3-33894,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)cc(F)n4)n23)cn1,SEIVLPKHONYIGW-UHFFFAOYSA-N,3,1,0.474,36,728,461.421,0.849,5,0.36,0.63,1.0,0.40465869371530394,0.37236138715646633,0.04005894044273867,0.020671989582619423,0.20943775272428208
EOS-3-33895,OCc1ccc(-c2cnnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,UAAMCUOONDUWDL-UHFFFAOYSA-N,3,1,0.389,13,251,449.833,3.72,5,0.432,0.61,1.0,0.5637978891097252,0.5936450551709959,0.7846360770337879,0.7970067164690563,0.6847714344458913
EOS-3-33896,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(Cl)c4)n23)nc1,KOHCGYZVWWXMEY-UHFFFAOYSA-N,3,1,0.588,4,817,450.289,4.529,5,0.389,0.68,1.0,0.6583424713864711,0.8012473442533068,0.8262713316427935,0.8663045713110822,0.7880414296484133
EOS-3-33897,Cc1ccnc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)nc(C)n4)n23)c1,BICVIOFNQPIRNW-UHFFFAOYSA-N,3,1,0.409,7,775,429.419,2.768,5,0.416,0.54,0.998,0.47449626482077994,0.39587759577821946,0.1208193406894661,0.10249468850661367,0.2734219724487698
EOS-3-33898,CC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)c(F)c5)n4)n23)cc1,RTZWVIQTZNBLQX-UHFFFAOYSA-N,3,1,0.396,22,331,417.379,3.52,5,0.416,0.69,1.0,0.07690528407922692,0.2891936810362552,0.6691367966554725,0.6340295387567678,0.4173163251319306
EOS-3-33899,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)[nH]n2)nn1,ZJYSFMLZZQCNHH-UHFFFAOYSA-N,3,1,0.408,53,954,433.863,2.95,5,0.406,0.61,0.747,0.4435525323829758,0.44637105064765953,0.16578712905215545,0.1934240285107258,0.3122836851483792
EOS-3-33900,Clc1cccc(-n2nnnc2-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)n1,HHNGVACLEPANJU-UHFFFAOYSA-N,3,1,0.273,10,880,454.845,2.334,6,0.364,0.61,0.183,0.01907854156671921,0.0640034953053252,0.029692961414570625,0.11828353094373244,0.05776463230758687
EOS-3-33901,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cnccn5)c4)n23)c(Cl)c1,BZGNSGOWSDCACT-UHFFFAOYSA-N,3,1,0.517,55,540,451.277,3.924,5,0.396,0.61,1.0,0.7786820642862038,0.9034250565417038,0.6379874580220684,0.7300733328764307,0.7625419779316017
EOS-3-33902,COc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1nccs1,BIBOFXVTAFGFTB-UHFFFAOYSA-N,3,1,0.438,49,116,432.469,2.73,5,0.383,0.63,0.997,0.36910595572613253,0.20756802138304434,0.047760605852923035,0.027619765608937016,0.16301358714275924
EOS-3-33903,COc1cc(-c2nnc3cncc(OCc4cc(CO)ncn4)n23)ccc1-c1cnnn1C,OCHORBOBGZTRTL-UHFFFAOYSA-N,3,1,0.44,36,638,445.443,1.457,5,0.392,0.63,0.999,0.22895963265026387,0.14114008635460215,0.19189911589335892,0.09427044068261257,0.1640673188952094
EOS-3-33904,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)s2)n(C)n1,LHJKJMXKODFGSD-UHFFFAOYSA-N,3,1,0.315,38,193,440.492,4.279,6,0.403,0.65,1.0,0.07313583715989308,0.11067610170653143,0.1319734768007676,0.1452779110410527,0.1152658316770612
EOS-3-33905,Cn1c(-c2cncs2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)nc3)n12,FYAITCGVQOCVAD-UHFFFAOYSA-N,3,1,0.318,8,754,473.913,3.216,6,0.379,0.68,0.878,0.13235898841751764,0.2483208827359331,0.046244260160372835,0.1045336166129806,0.13286443698170103
EOS-3-33906,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2F)n(C)n1,FDICZTMXYQPDIE-UHFFFAOYSA-N,3,1,0.529,36,610,455.906,4.328,5,0.392,0.65,1.0,0.5722277431293263,0.7090843670755945,0.4068518264683709,0.4516397094099102,0.5349509115208005
EOS-3-33907,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cnn2)n1C,ACROXRBABIIEGB-UHFFFAOYSA-N,3,1,0.479,89,571,482.508,2.156,6,0.37,0.76,0.94,0.3169248166678089,0.07487492289767665,0.01614008635460215,0.01567747241450209,0.10590432458364744
EOS-3-33908,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,MUVVJAFRVYGXHG-UHFFFAOYSA-N,3,1,0.443,92,36,420.824,2.004,5,0.42,0.63,1.0,0.34624940031526286,0.39124288945240215,0.12355218970598314,0.14528647796586938,0.2515827393598794
EOS-3-33909,Cc1ncc(-c2cccc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)n2)cn1,FKAJTAVASNNSMS-UHFFFAOYSA-N,3,1,0.34,14,81,447.424,4.619,5,0.391,0.67,1.0,0.4206360084983894,0.5936536220958125,0.8784610376259337,0.8385134672058118,0.6828160338564868
EOS-3-33910,Cc1nsc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)ccn2)n1,WXJGHAHFVXGYPJ-UHFFFAOYSA-N,3,1,0.523,16,97,449.927,4.554,5,0.388,0.75,1.0,0.5804862586525941,0.6896717154410252,0.3812195874169008,0.4008978137207868,0.5130688438078268
EOS-3-33911,CCOC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cn5)ns4)n23)cc1F,QWUAMSCXNGSDPI-UHFFFAOYSA-N,3,1,0.324,74,155,465.445,3.827,5,0.361,0.73,1.0,0.31439757384689193,0.3581574258104311,0.2812778425056542,0.29626996093482283,0.31252570077444997
EOS-3-33912,Cn1cc(-c2ccnc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)cn1,QKUIUGMIECFSNQ-UHFFFAOYSA-N,3,1,0.456,18,711,416.42,2.742,5,0.42,0.7,1.0,0.47949934891371393,0.31455177849359195,0.4713436364882462,0.41672092385717224,0.4205289219381811
EOS-3-33913,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)n1,YMONQVKKFCMLLX-UHFFFAOYSA-N,3,1,0.495,44,531,463.423,3.991,5,0.376,0.64,1.0,0.8488194777602632,0.7718542252073196,0.7376379274895484,0.7486292920293331,0.7767352306216162
EOS-3-33914,Fc1cc(-c2nncs2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,AUFAWWPRCYXQSJ-UHFFFAOYSA-N,3,1,0.57,72,386,453.89,4.119,5,0.357,0.69,1.0,0.7404221780549654,0.8388818449729285,0.617264066890549,0.6656757590295388,0.7155609622369954
EOS-3-33916,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)c1,NWZOZXASXWVQGR-UHFFFAOYSA-N,3,1,0.517,44,481,413.416,3.404,5,0.421,0.77,1.0,0.7040641491330272,0.5686553354807758,0.4887773284901652,0.507787334658351,0.5673210369405799
EOS-3-33917,COC(=O)c1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)cnn2)cn1,OIYXEGCQRLBQSZ-UHFFFAOYSA-N,3,1,0.575,72,309,453.462,3.051,5,0.343,0.66,1.0,0.4994088821876499,0.24322356247001575,0.2305445137413474,0.1501524912617367,0.28083236241518744
EOS-3-33918,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cn2)nn1,ZENLJXYPRUACNZ-UHFFFAOYSA-N,3,1,0.495,58,981,444.43,2.808,5,0.374,0.6,0.938,0.8092402851072579,0.7846275101089712,0.3658676581454321,0.28437050236447126,0.5610264889315332
EOS-3-33919,c1coc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nc2)c1,PDSAYISZWRYCGV-UHFFFAOYSA-N,3,1,0.318,70,790,418.42,3.965,6,0.423,0.7,1.0,0.1429648413405524,0.09456171612637927,0.4282434377355904,0.4231718182441231,0.27223545336166133
EOS-3-33920,Cc1c(-c2cc(-c3nnc4cncc(Cc5ccc(Cl)cn5)n34)ccc2Cl)cnn1C,RRSBYTQZNWYASU-UHFFFAOYSA-N,3,1,0.342,14,81,450.333,4.793,5,0.394,0.74,1.0,0.24243540538688232,0.4010605852923035,0.6964652868206429,0.7588410664108012,0.5247005859776575
EOS-3-33921,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)cc1Cl,OMOWVUOYFJUITF-UHFFFAOYSA-N,3,1,0.633,84,529,463.328,5.177,5,0.346,0.86,1.0,0.8974539099444864,0.8643684463025153,0.8575577410732643,0.8906860393393188,0.8775165341648963
EOS-3-33922,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)nc1,DLFOWHIQBJYMLQ-UHFFFAOYSA-N,3,1,0.349,33,53,483.467,2.649,6,0.347,0.8,0.991,0.38981221300801866,0.24323212939483244,0.1502295935850867,0.16319991775752177,0.2366184634363649
EOS-3-33923,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)c(F)c2)n1,KJARYEHBQZBUBO-UHFFFAOYSA-N,3,1,0.301,32,693,449.453,4.148,6,0.43,0.58,0.986,0.1956342951134261,0.3145603454184086,0.6053646083201973,0.5982968953464465,0.42846403604961963
EOS-3-33924,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)n(C)n1,VXGFKKMBYUZSIC-UHFFFAOYSA-N,3,1,0.675,43,11,448.889,4.872,5,0.383,0.75,1.0,0.655352614625454,0.7137362072510451,0.8590398190665479,0.8385220341306284,0.7666626687684188
EOS-3-33925,Cc1nc(-c2cnc(C)o2)cc(-c2cncc3nnc(-c4ccncc4-c4cncnc4)n23)n1,BEVPIYJJJJCTLG-UHFFFAOYSA-N,3,1,0.265,94,165,448.45,3.372,6,0.395,0.59,0.999,0.08817079021314508,0.03179185799465424,0.19527448427112604,0.1582139675142211,0.11836277499828662
EOS-3-33926,Fc1nc(-c2cnccn2)ccc1-c1nnc2cncc(Oc3ccc(-c4nnco4)cn3)n12,HPBXYMYEJDUDSJ-UHFFFAOYSA-N,3,1,0.356,6,318,454.385,3.02,6,0.355,0.62,1.0,0.6463145089438695,0.5640120622301419,0.26608868480570214,0.23396271674319785,0.4275944931807279
EOS-3-33927,Fc1cncc(Cl)c1COc1cncc2nnc(-c3cc(-c4cccnc4F)ccn3)n12,JBLXFOXMSSRDCV-UHFFFAOYSA-N,3,1,0.411,46,980,451.824,4.154,5,0.371,0.67,1.0,0.8012473442533068,0.7275546569803304,0.8545593173874306,0.8712134192310328,0.8136436844630253
EOS-3-33928,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cn2)nc1,OFIJYYIIDWETKT-UHFFFAOYSA-N,3,1,0.466,55,930,452.812,3.549,5,0.373,0.63,0.999,0.9070231649647043,0.8756339524364334,0.6828353094373244,0.6919162497429923,0.7893521691453635
EOS-3-33929,Fc1cncc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ncccn4)c(F)n3)n12,UGDKSGJDDOACMI-UHFFFAOYSA-N,3,1,0.416,46,980,452.812,3.549,5,0.373,0.63,1.0,0.8464635734356796,0.7887653347954219,0.6287780138441506,0.6715955040778562,0.733900606538277
EOS-3-33930,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)c(F)c5)n34)cn2)nn1,MNYYMZFENMTXPH-UHFFFAOYSA-N,3,1,0.325,42,596,462.452,3.61,6,0.387,0.59,1.0,0.3192721540675759,0.372369954081283,0.4320899869782743,0.43265540401617436,0.3890968747858269
EOS-3-33931,Cc1nc(-c2ccccc2F)nc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)n1,FWTZFIZJIGQVRZ-UHFFFAOYSA-N,3,1,0.349,64,449,462.452,3.61,6,0.387,0.59,0.999,0.2962528270851895,0.3245750805290933,0.13498903433623466,0.20169111095881023,0.23937701322733193
EOS-3-33932,N#Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)n1,QXVYWQLWAKKUQI-UHFFFAOYSA-N,3,1,0.728,79,660,452.905,5.0,5,0.36,0.76,1.0,0.9883575491741484,0.9846480707285313,0.8635117538208484,0.8728240010965663,0.9273353437050237
EOS-3-33933,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5cncnc5)n34)cc2F)c(F)n1,SXKWIDUNMABZCR-UHFFFAOYSA-N,3,1,0.467,7,435,437.345,2.43,5,0.409,0.56,1.0,0.572236310054143,0.6405147008429855,0.5503306832979233,0.5278853402782537,0.5727417586183263
EOS-3-33934,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nc2)cn1,PNRWZDBXSOSOJG-UHFFFAOYSA-N,3,1,0.473,18,840,414.404,2.799,5,0.418,0.71,1.0,0.7496059214584333,0.7322578987046809,0.4100387225001713,0.3693543965458159,0.5653142348022754
EOS-3-33935,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(F)c1,QZZJOMZUQRPOMP-UHFFFAOYSA-N,3,1,0.365,96,478,435.413,4.813,5,0.396,0.71,0.2,0.3216623260914262,0.4595384140908779,0.907571448152971,0.8663131382358988,0.6387713316427934
EOS-3-33936,CC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)nc(-c5ccnc(Cl)c5)n4)n23)cc1,XJQGWCAZPTVUDL-UHFFFAOYSA-N,3,1,0.361,29,849,442.87,3.87,5,0.304,0.78,1.0,0.27418442875745325,0.27877630045918717,0.2447056404632993,0.22223459666917963,0.25497524158727985
EOS-3-33937,Cc1cc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n2)nn1C,SNEJNUSUMMAYGH-UHFFFAOYSA-N,3,1,0.31,39,972,464.468,3.553,6,0.389,0.6,1.0,0.09540984168322938,0.16008155712425468,0.1952830511959427,0.24548523062161606,0.1740649201562607
EOS-3-33938,CC#Cc1cnc(COc2cncc3nnc(-c4cccc(-c5cncn5CCF)c4)n23)cn1,QSGXAEWITLKTQL-UHFFFAOYSA-N,3,1,0.422,26,448,454.469,3.365,5,0.348,0.67,1.0,0.3622267150983483,0.23271194571996437,0.3886214104585018,0.29937975464327327,0.3207349564800219
EOS-3-33939,CCn1nc(C)cc1-c1cnc(-c2nnc3cncc(OCCc4cccnc4)n23)cn1,PNYHORDOHADKPA-UHFFFAOYSA-N,3,1,0.443,31,569,427.472,2.79,5,0.39,0.61,1.0,0.21489274210129533,0.028904804331437186,0.047769172777739705,0.03761736686998835,0.08229602152011514
EOS-3-33940,Clc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)c2)nn1,FRIQRHSTHBBMST-UHFFFAOYSA-N,3,1,0.347,42,174,452.865,4.619,6,0.381,0.68,1.0,0.3064474676170242,0.3437821259680625,0.6664639161126722,0.6974761839490097,0.5035424234116922
EOS-3-33941,Fc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cccnn1,KJPVRYHCWIZTIW-UHFFFAOYSA-N,3,1,0.432,54,773,448.849,3.452,5,0.364,0.63,1.0,0.8417860324857789,0.8090518127612912,0.5024073058734837,0.5577496401891577,0.6777486978274279
EOS-3-33942,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)c(F)c6)n5)n34)nc2)cc1,AZLIFFAQDZPVPQ-UHFFFAOYSA-N,3,1,0.288,3,118,466.455,4.688,6,0.375,0.73,0.197,0.03780583921595504,0.19829860873140978,0.7501456377218834,0.7854670687410047,0.4429292886025632
EOS-3-33943,Cn1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)c(-c2ncc(Cl)cn2)n1,VLDHSPCEDYFVKU-UHFFFAOYSA-N,3,1,0.282,86,165,467.884,3.154,6,0.384,0.61,0.998,0.08578918511411143,0.19830717565622644,0.172426495785073,0.24282091700363237,0.1748359433897608
EOS-3-33944,CCOc1ncc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(C)cn1,LHCRXWRUZPBUEG-UHFFFAOYSA-N,3,1,0.524,35,657,453.506,3.972,5,0.348,0.71,1.0,0.3918768418888356,0.20757658830786102,0.33254232060859434,0.2016996778836269,0.28342385717222945
EOS-3-33945,OCc1ccnc(-c2cncc(-c3nnc4cncc(OCc5cncs5)n34)c2)c1,RTGLYYIJASPYHC-UHFFFAOYSA-N,3,1,0.456,2,879,417.454,2.776,5,0.449,0.7,0.998,0.4553748886299774,0.362620793639915,0.39962990884791993,0.3275049688163937,0.3862826399835515
EOS-3-33946,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)nc(C)n2)nn1,XTLZTBRVRVXRLA-UHFFFAOYSA-N,3,1,0.402,53,330,447.409,2.907,5,0.375,0.6,0.829,0.6121753135494483,0.44166780892330887,0.33592625591117814,0.28708621753135494,0.41921389897882255
EOS-3-33947,Fc1ccncc1CCOc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,SXSKLHVIXFNMCX-UHFFFAOYSA-N,3,1,0.58,75,583,419.445,3.465,5,0.416,0.71,1.0,0.7580871770269344,0.6700962922349394,0.38488623123843463,0.3791378246864506,0.5480518812966898
EOS-3-33948,Cc1nn(C)c(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1Cl,ZWLNQORFZJBBIE-UHFFFAOYSA-N,3,1,0.5,2,422,432.875,3.523,5,0.419,0.64,1.0,0.3216708930162429,0.4150846412171887,0.21972448769789596,0.2606229867726681,0.3042757521759989
EOS-3-33949,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3ccnc(C)c3F)n12,VWOREQKXLZQMGA-UHFFFAOYSA-N,3,1,0.495,15,604,459.485,3.664,5,0.367,0.66,1.0,0.6432989514084024,0.45059454458227677,0.49197279144678224,0.32122541292577617,0.4767729250908094
EOS-3-33950,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1cnc(C)cn1,FDFMAHHJFMZDBU-UHFFFAOYSA-N,3,1,0.495,97,383,460.444,4.423,5,0.371,0.68,1.0,0.9084624083339045,0.7887739017202385,0.8590483859913646,0.7665598656706188,0.8307111404290316
EOS-3-33951,Cc1nc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)ccc1F,DABUZJXGSLQYNY-UHFFFAOYSA-N,3,1,0.5,87,419,432.484,4.379,5,0.396,0.71,1.0,0.6860136385443081,0.6172554999657323,0.5402131450894387,0.5077959015831677,0.5878195462956617
EOS-3-33952,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4nccs4)n23)nn1,OHSUGBYZIWEJHI-UHFFFAOYSA-N,3,1,0.255,76,944,439.468,2.562,6,0.407,0.59,0.72,0.018153313686519085,0.06401206223014187,0.023319169350969775,0.026574600781303543,0.03301478651223357
EOS-3-33953,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cs2)n1,ZSPICWLYUSGTKE-UHFFFAOYSA-N,3,1,0.434,53,602,451.903,3.078,5,0.383,0.64,1.0,0.4994174491124666,0.5362038242752382,0.059017545062024536,0.08845349873209513,0.2957730792954561
EOS-3-33954,Cc1ccc(-c2nnc3cncc(OCc4ncc(Cl)c(-c5cncnc5)n4)n23)cc1Cl,HAVHPTLGOJOBAE-UHFFFAOYSA-N,3,1,0.456,51,196,465.304,4.233,5,0.38,0.68,1.0,0.7815262833253376,0.8247464190254267,0.55033925022274,0.6251970392707834,0.695452247961072
EOS-3-33955,CCn1cc(-c2ncc(F)c(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cn1,FVYXZYZQJJKQGB-UHFFFAOYSA-N,3,1,0.427,92,69,467.415,3.515,5,0.358,0.71,1.0,0.4770577753409636,0.5407100267288054,0.46427592351449526,0.37260982797614967,0.46366338839010346
EOS-3-33956,COc1cc(F)cc(-c2nnc3cncc(-c4ccc(-c5ncc(C)nc5C)cc4F)n23)c1,KCSJWIJMMQEJFE-UHFFFAOYSA-N,3,1,0.35,96,648,444.445,4.819,5,0.396,0.69,0.997,0.48428825988623125,0.5407185936536221,0.8053766020149408,0.7381862106778151,0.6421424165581523
EOS-3-33957,Clc1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(Cl)nc5)n4)n23)cc1,DABWUJILSCVPII-UHFFFAOYSA-N,3,1,0.456,96,155,420.263,4.617,5,0.397,0.77,1.0,0.30645603454184084,0.5733585772051264,0.7846446439586047,0.8825388938386677,0.6367495373860599
EOS-3-33958,Fc1cccc(-c2cccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c2)c1,HOVIBVRPAULSIK-UHFFFAOYSA-N,3,1,0.634,57,962,447.42,4.892,5,0.371,0.75,1.0,0.9004609005551367,0.9287917209238572,0.9473648139263929,0.9533359605236105,0.9324883489822493
EOS-3-33959,Cn1nnc(-c2cc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccn2)n1,AGTKMDNNLKEXLI-UHFFFAOYSA-N,3,1,0.374,85,740,412.417,1.066,5,0.451,0.7,1.0,0.1130748406551984,0.04867726680830649,0.0462528270851895,0.02861352888767048,0.059154615859091216
EOS-3-33960,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cs1,KYAWPXXUCWZODO-UHFFFAOYSA-N,3,1,0.534,58,56,415.482,3.635,5,0.418,0.8,1.0,0.6261822356247002,0.5453532999794394,0.2093927763689946,0.16871701733945582,0.38741133232814756
EOS-3-33961,Cn1nnnc1COc1cncc2nnc(-c3ccc(Cl)c(-c4cncnc4)c3)n12,AAIMIYKRMYRENO-UHFFFAOYSA-N,3,1,0.482,36,404,420.824,2.004,5,0.42,0.64,1.0,0.4647128366801453,0.679854019601124,0.12082790761428278,0.21387327804811185,0.369817010485916
EOS-3-33962,CCc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)ncn2)n1,OARJFIHOQILIQP-UHFFFAOYSA-N,3,1,0.381,44,971,448.849,4.186,5,0.394,0.64,0.996,0.5555650743609074,0.5686639024055925,0.49532245905009936,0.5413439791652388,0.5402238537454596
EOS-3-33963,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)n2)nn1,GONYHEMWSYBXIU-UHFFFAOYSA-N,3,1,0.296,10,541,453.857,2.939,6,0.396,0.57,0.22,0.0132530326913851,0.11068466863134808,0.09407340141182921,0.20484373929134397,0.1057137105064766
EOS-3-33964,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccnc(-c6ccnc(F)c6)c5)n34)nc2)c1,NPWITTNJTSWHDT-UHFFFAOYSA-N,3,1,0.321,94,723,449.453,3.85,6,0.377,0.63,1.0,0.2068055650743609,0.27365327941881984,0.592582756493729,0.5543657048865739,0.4068518264683709
EOS-3-33965,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)cn1,WVSKHJOPLRNENC-UHFFFAOYSA-N,3,1,0.434,44,194,448.849,3.452,5,0.364,0.6,0.871,0.7072510451648276,0.7044410938249606,0.5233791378246865,0.5737012541977932,0.627193132753067
EOS-3-33966,Fc1cc(COc2cncc3nnc(-c4cnc(-c5cncnc5)cn4)n23)cnc1Cl,MOPVUHNDVWHYJJ-UHFFFAOYSA-N,3,1,0.422,7,435,435.81,2.805,5,0.384,0.59,1.0,0.740430744979782,0.6405232677678021,0.5199438009732027,0.5313977794530875,0.6080738982934686
EOS-3-33967,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)cn1,IASHNBGYXBGURM-UHFFFAOYSA-N,3,1,0.471,51,441,432.469,2.825,5,0.383,0.63,1.0,0.32681961483106026,0.22797443629634706,0.13499760126105134,0.09427900760742924,0.19601766499897197
EOS-3-33968,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4ccnnc4-c4cccc(F)c4)n23)ncn1,DPUXJFQNKZHFFU-UHFFFAOYSA-N,3,1,0.319,10,566,450.441,3.245,6,0.402,0.56,1.0,0.11016208621753136,0.1679202933315057,0.29937118771845656,0.3561870331025975,0.23341015009252278
EOS-3-33969,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncc(F)n5)nc4)n23)cn1,UJDZZMPBDUAMMS-UHFFFAOYSA-N,3,1,0.354,86,812,450.441,3.245,6,0.402,0.58,0.999,0.2231512576245631,0.24832944966074977,0.31781577684874235,0.3090004112123912,0.2745742238366116
EOS-3-33970,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)cn1,ZPMQPTYDPFGPFJ-UHFFFAOYSA-N,3,1,0.282,70,968,421.428,2.434,6,0.46,0.63,1.0,0.06715612363785896,0.08188266739771091,0.2021537248989103,0.17668425741895688,0.13196919333835927
EOS-3-33971,OCc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc(Cl)n2)nc1,MUXQZRTXBWXMTC-UHFFFAOYSA-N,3,1,0.506,58,56,459.897,3.411,5,0.368,0.65,1.0,0.7317695839901309,0.6455948872592694,0.5569871838804743,0.5244071688026866,0.6146897059831403
EOS-3-33972,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,CIFFAKLRKGCNLA-UHFFFAOYSA-N,3,1,0.473,87,349,449.927,4.288,5,0.382,0.69,1.0,0.758095743951751,0.7548146117469673,0.43209855390309093,0.42318038516893974,0.5920473236926872
EOS-3-33973,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(Cl)c2)ns1,VNJXRFSKRTTYJM-UHFFFAOYSA-N,3,1,0.625,35,393,449.927,4.288,5,0.382,0.69,1.0,0.6178380508532657,0.7930744979782057,0.3359348228359948,0.3756853539853334,0.5306331814131999
EOS-3-33974,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,XYYNRMRBVDKVLS-UHFFFAOYSA-N,3,1,0.36,92,643,451.853,3.231,5,0.387,0.61,0.998,0.46472140360496195,0.377321636625317,0.4817610170653142,0.4884689191967651,0.45306824412308955
EOS-3-33975,Cc1cn[nH]c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)cn1,SCUCGVVDDLTNOL-UHFFFAOYSA-N,3,1,0.258,42,392,449.453,4.148,6,0.403,0.63,1.0,0.24244397231169898,0.3044513741347406,0.5893701596874786,0.5737098211226098,0.42749383181413203
EOS-3-33976,COCc1cncc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5F)nc4)n23)n1,DOGOEMODLLNFDF-UHFFFAOYSA-N,3,1,0.337,96,155,447.861,4.249,5,0.397,0.61,1.0,0.43409464738537457,0.6026745939277637,0.7196730861489959,0.7640754574737852,0.6301294462339798
EOS-3-33977,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)n1,ZTOFPUIZOMSPCK-UHFFFAOYSA-N,3,1,0.545,37,619,462.876,3.761,5,0.375,0.62,1.0,0.92523644712494,0.9364248509355082,0.5199523678980194,0.5577582071139744,0.7348429682681106
EOS-3-33978,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)nnc1Cl,DBFHVPGOHMLRBB-UHFFFAOYSA-N,3,1,0.5,75,496,453.89,4.119,5,0.382,0.65,1.0,0.7194760468782126,0.7090929340004112,0.4642844904393119,0.5413525460900556,0.6085515043519979
EOS-3-33979,Fc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c2)nn1,HMACDWJSGGLGKT-UHFFFAOYSA-N,3,1,0.5,34,820,469.267,4.063,5,0.38,0.68,1.0,0.7613083407580015,0.9406911794942088,0.7222688643684463,0.8122729764923583,0.8091353402782537
EOS-3-33980,Cc1nccc(CCOc2cncc3nnc(-c4cnc(-c5ncccn5)cn4)n23)c1Cl,VOWXUXXEKCPKPS-UHFFFAOYSA-N,3,1,0.456,18,720,445.874,3.017,5,0.388,0.57,0.998,0.6553611815502707,0.6124751559180317,0.16272873689260503,0.18788122815434172,0.4046115756288122
EOS-3-33981,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nn5)n34)nc2)n1,QPSAOWBWWYUSLP-UHFFFAOYSA-N,3,1,0.262,76,887,449.413,2.696,6,0.37,0.57,0.998,0.2314012062230142,0.30445994105955726,0.1788088547734905,0.22493317798642998,0.23490079501062297
EOS-3-33982,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5Cl)n34)ncn2)nc1,XDRHZKKPVSROQS-UHFFFAOYSA-N,3,1,0.523,73,665,452.812,3.549,5,0.399,0.58,1.0,0.8038945240216572,0.8889298197519019,0.6347320265917347,0.7002947022136934,0.7569627681447467
EOS-3-33983,Cc1csc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ncn2)n1,SNKVZZFQJCOOHT-UHFFFAOYSA-N,3,1,0.472,46,726,436.888,3.641,5,0.411,0.63,0.999,0.36433417860324857,0.4639589472962785,0.17560482489205675,0.21388184497292853,0.3044449489411281
EOS-3-33984,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5C)n34)cn2)s1,MHTYTPRXRJEONX-UHFFFAOYSA-N,3,1,0.505,58,579,448.487,3.477,5,0.389,0.65,0.931,0.577779110410527,0.689680282365842,0.10667534781714756,0.10454218353779728,0.36966923103282845
EOS-3-33985,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cc3F)n12,KCAMKRHMBZGQFG-UHFFFAOYSA-N,3,1,0.323,52,341,482.479,3.35,6,0.391,0.77,1.0,0.3484853676924131,0.3095058597765746,0.35850866972791445,0.3630577068055651,0.3448894010006168
EOS-3-33986,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnccn5)n4)n23)cn1,GFNGRIRLDQLQDO-UHFFFAOYSA-N,3,1,0.402,80,277,463.465,2.413,6,0.362,0.59,1.0,0.385186073607018,0.22284284833116305,0.10668391474196423,0.08309917072167775,0.19945300185045575
EOS-3-33987,Cc1c[nH]c(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2C)c1,BXJVSXDXKSPCIT-UHFFFAOYSA-N,3,1,0.372,51,924,432.875,3.821,5,0.449,0.62,0.714,0.5118566239462683,0.4904735796038654,0.31018264683709135,0.2993883215680899,0.4029752929888288
EOS-3-33988,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4)n23)cn1,HZGDFKXANWUHLK-UHFFFAOYSA-N,3,1,0.273,99,968,422.416,1.829,6,0.45,0.58,0.981,0.07119971215132616,0.08189123432252758,0.1042166403947639,0.11131005414296484,0.09215441025289563
EOS-3-33989,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(Cl)c4)n23)nn1,FLJPXUGSTXOSQG-UHFFFAOYSA-N,3,1,0.53,4,208,424.783,3.003,5,0.419,0.61,1.0,0.737492289767665,0.7322664656294976,0.4432441230895758,0.4914330751833322,0.6011089884175177
EOS-3-33991,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)ncn2)cc1,LTGSRKGAOUVTJG-UHFFFAOYSA-N,3,1,0.456,44,488,451.824,4.154,5,0.371,0.68,0.986,0.8417945994105955,0.8012559111781234,0.8635203207456651,0.8853574121033514,0.8479820608594338
EOS-3-33992,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)ccn2)nc1,TZAVMOKWHOGPMK-UHFFFAOYSA-N,3,1,0.5,24,199,451.824,4.154,5,0.371,0.68,1.0,0.8990559248852033,0.8424456856966623,0.8545678843122473,0.8564012062230142,0.8631176752792817
EOS-3-33993,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)s4)n23)cc1,SCXVPFDVQYQIBH-UHFFFAOYSA-N,3,1,0.362,93,641,436.504,4.377,6,0.408,0.67,1.0,0.07314440408470975,0.07488348982249332,0.2553457610856007,0.30242101295319035,0.17644866698649853
EOS-3-33994,O=C(c1cnc(F)cn1)c1cn(Cc2cncc3nnc(-c4ccc(F)cc4)n23)nn1,UWDWGPLEGGJZMQ-UHFFFAOYSA-N,3,1,0.416,85,81,419.355,1.73,5,0.396,0.66,1.0,0.25059968473716676,0.34379069289287917,0.1470084298540196,0.24282948392844905,0.24605707285312864
EOS-3-33995,Cc1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cc1[N+](=O)[O-],VYJMDKGIKDWVKO-UHFFFAOYSA-N,3,1,0.633,68,12,430.346,4.001,4,0.348,0.79,1.0,0.8464721403604962,0.4639675142210952,0.9054468507984373,0.6137516277157151,0.707409533273936
EOS-3-33996,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)c2)n(C)n1,VEEGAWLRLIRPRD-UHFFFAOYSA-N,3,1,0.494,16,772,433.422,3.752,5,0.42,0.59,1.0,0.5068963744774175,0.41509320814200534,0.7352648893153314,0.6774381468028237,0.5836731546843945
EOS-3-33997,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cc(C)nn5C)cc4Cl)n23)nn1,IHAAJXWSQQXNHS-UHFFFAOYSA-N,3,1,0.506,36,534,446.902,3.831,5,0.404,0.64,1.0,0.4319786169556576,0.5839986978274279,0.35111541361113013,0.31199883489822494,0.41977289082311015
EOS-3-33998,Cc1ncc(-c2nnc3cncc(OCc4cncc(-c5csc(Cl)n5)n4)n23)cn1,ZIHWDJFPOSTORE-UHFFFAOYSA-N,3,1,0.429,7,48,437.876,3.036,5,0.408,0.59,1.0,0.4918871221986156,0.5178277705434857,0.10941676375848125,0.1137687615653485,0.3082251045164828
EOS-3-33999,Cc1cnc(-c2ccc(OCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)cn1,TULUXXOKHYNNIR-UHFFFAOYSA-N,3,1,0.365,85,290,446.421,3.863,5,0.387,0.61,0.999,0.48683263655678155,0.5407271605784387,0.6614094304708382,0.49144164210814884,0.5451027174285518
EOS-3-34000,Cc1nn(C)c(C)c1-c1ccc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)cn1,XHEDTCOJRKIINW-UHFFFAOYSA-N,3,1,0.494,92,434,447.89,3.226,5,0.378,0.64,1.0,0.3829329723802344,0.43758138578575834,0.14701699677883626,0.11608183126584881,0.2709032965526694
EOS-3-34001,FC(F)(F)c1nc(-c2ncccn2)cc(-c2nnc3cncc(OCCc4ccccn4)n23)n1,WAEHVAITZJMSPX-UHFFFAOYSA-N,3,1,0.517,18,367,465.399,3.074,5,0.373,0.61,0.993,0.7008172846275101,0.5936621890206292,0.39963847577273665,0.27545233363032007,0.492392570762799
EOS-3-34002,COCc1nc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)ncc1F,WKAXYOVJIZERLI-UHFFFAOYSA-N,3,1,0.318,50,489,417.408,2.329,5,0.429,0.66,1.0,0.37375779590158315,0.3385991364539785,0.10942533068329792,0.10250325543143034,0.2310713796175725
EOS-3-34003,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1,IPDIJHSBVSWPPE-UHFFFAOYSA-N,3,1,0.419,46,181,449.396,3.948,5,0.375,0.64,1.0,0.677044068261257,0.6651103419916387,0.8678209170036324,0.8204800904667261,0.7576138544308134
EOS-3-34004,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)s5)ncn4)n23)c1,NNOUPDQJGRRMIN-UHFFFAOYSA-N,3,1,0.456,46,726,439.863,4.076,5,0.407,0.64,0.943,0.511865190871085,0.5981940922486464,0.5503478171475568,0.6165273113563156,0.5692336029059009
EOS-3-34005,Clc1ccc(COc2cncc3nnc(-c4cc(-c5ccsc5)ncn4)n23)nc1,COUQCYFCSKRDPP-UHFFFAOYSA-N,3,1,0.483,46,238,421.873,3.937,5,0.424,0.66,0.835,0.4276523199232404,0.4813669385237475,0.43579089849907476,0.4855475978342814,0.457589438695086
EOS-3-34006,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)s1,XYYYRESSSLBGBN-UHFFFAOYSA-N,3,1,0.326,76,543,455.482,3.911,6,0.397,0.63,0.942,0.058160852580357754,0.1937153039544925,0.2660972517305188,0.35952813378109794,0.21937538551161676
EOS-3-34007,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5csnn5)c(F)c4)n23)ccc1Cl,HEFVYIZMOJWTJO-UHFFFAOYSA-N,3,1,0.667,34,96,456.865,4.82,5,0.377,0.78,1.0,0.9021485847440203,0.9364334178603249,0.9245596600644232,0.9394061407717086,0.9256369508601192
EOS-3-34008,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)c(F)c2)o1,IVOZIMNSKCKCSK-UHFFFAOYSA-N,3,1,0.529,43,521,466.86,4.014,5,0.399,0.67,0.994,0.9303937358645741,0.8889383866767185,0.8156055102460421,0.7854756356658213,0.855103317113289
EOS-3-34009,FC(F)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cn4)n23)cc1,XDEMJAJYBOYZFF-UHFFFAOYSA-N,3,1,0.392,14,476,449.852,4.825,5,0.382,0.7,1.0,0.43198718388047425,0.4953738605989994,0.8978394215612364,0.9002124597354534,0.6813532314440409
EOS-3-34010,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5ccnc(Cl)n5)n[nH]4)n23)cc1,JWICSPIASHEFSG-UHFFFAOYSA-N,3,1,0.523,47,32,440.254,3.252,5,0.414,0.61,1.0,0.7194846138030293,0.8285072990199438,0.26259337948050165,0.41038139949283803,0.5552416729490782
EOS-3-34011,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)s5)nc4)n23)nc1,ZJULEKHQCZQSPK-UHFFFAOYSA-N,3,1,0.346,76,968,455.482,3.911,6,0.397,0.59,1.0,0.20128846549242685,0.31456891234322526,0.32149098759509287,0.3530772393941471,0.297606401206223
EOS-3-34012,Cc1ncncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)s4)n23)nc1,JKSAMJODGBZEKK-UHFFFAOYSA-N,3,1,0.243,86,852,453.495,2.871,6,0.396,0.59,0.96,0.017339455828935646,0.02178568980878624,0.04006750736755534,0.036486532794188196,0.028919796449866357
EOS-3-34013,Cc1nc(-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)c(-c2ccc(F)c(F)c2)s1,CFTZNGWGTORRFU-UHFFFAOYSA-N,3,1,0.272,10,872,474.46,3.539,6,0.381,0.7,0.998,0.004292029333150572,0.07489205674730999,0.3064988691659242,0.39782228771160305,0.19587631073949696
EOS-3-34014,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C#N)c(F)c4)n23)sn1,SDWZMQPHSFAMCC-UHFFFAOYSA-N,3,1,0.494,36,895,433.432,2.633,5,0.415,0.58,1.0,0.6091768898636145,0.6124837228428484,0.28860256322390515,0.3212339798505928,0.4578742889452402
EOS-3-34015,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)n1C,JWMPAEMCQKTCNK-UHFFFAOYSA-N,3,1,0.291,30,541,445.49,4.019,6,0.404,0.63,0.945,0.0978514152559797,0.07825885820026043,0.16918819820437256,0.20170824480844357,0.13675167911726405
EOS-3-34016,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(Br)nn5)c4)n23)nc1,HPFUXNHYXSYJDE-UHFFFAOYSA-N,3,1,0.444,46,348,475.31,3.688,5,0.379,0.66,1.0,0.6676547186621891,0.5640206291549585,0.28128640943047084,0.26063155369748475,0.4433983277362758
EOS-3-34017,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)cc1,ZAVODLYKBLBICC-UHFFFAOYSA-N,3,1,0.32,9,98,465.908,4.364,6,0.356,0.72,1.0,0.16234322527585499,0.20290761428277707,0.5095863888698513,0.5314063463779042,0.3515608937015969
EOS-3-34018,Cc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)n4)n23)c1,FDLFILKKIAJRPQ-UHFFFAOYSA-N,3,1,0.439,18,814,446.421,3.246,5,0.366,0.64,0.999,0.7871376190802549,0.6896888492906587,0.3471403604961963,0.32751353574121034,0.5378700911520801
EOS-3-34019,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ccn2)cn1,BOGMRLNZMSFNHD-UHFFFAOYSA-N,3,1,0.429,51,441,449.837,3.113,5,0.373,0.63,1.0,0.7317781509149476,0.6995922143787267,0.34714892742101294,0.3371855938592283,0.5289262216434789
EOS-3-34020,Cc1cc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCc3ccns3)n12,HCAYBENFYUFPED-UHFFFAOYSA-N,3,1,0.506,16,82,419.445,3.731,5,0.429,0.69,1.0,0.7040727160578438,0.6261222671509835,0.36971420738811595,0.33719416078404496,0.5092758378452471
EOS-3-34021,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4c(-c5cccnc5)cnn4C)n23)nc1,OKUHSQNALIXLBN-UHFFFAOYSA-N,3,1,0.255,99,286,435.455,2.444,6,0.414,0.53,1.0,0.024304365704886574,0.021794256733602906,0.08213967514221095,0.09627510108971284,0.056128349667603314
EOS-3-34022,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)ncn4)n23)nc1,ZDSYZOSRUSXGDZ-UHFFFAOYSA-N,3,1,0.38,33,53,483.467,2.649,6,0.347,0.82,0.998,0.387610513330135,0.21741141799739566,0.1291292577616339,0.14529504489068604,0.21986155849496264
EOS-3-34023,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)c(F)c1F,BTYROMSPRJEPGY-UHFFFAOYSA-N,3,1,0.435,73,817,436.357,3.035,5,0.387,0.6,1.0,0.752527242820917,0.8552532382975807,0.7996367623877733,0.7640840243986019,0.7928753169762182
EOS-3-34024,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)ncn2)nc1,GYNSXDIICASYOZ-UHFFFAOYSA-N,3,1,0.394,46,726,436.357,3.035,5,0.387,0.6,0.897,0.7256185319717634,0.6026831608525803,0.7275032554314304,0.7086902885340278,0.6911238091974505
EOS-3-34025,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncon5)cn4)n23)nc1,QHFVHWRZGQEHDI-UHFFFAOYSA-N,3,1,0.267,70,652,422.412,2.699,6,0.421,0.62,1.0,0.11308340758001507,0.07137961757247618,0.1657956959769721,0.15016105818655334,0.12510494482900417
EOS-3-34026,Cc1nc(-c2nnco2)cc(-c2cncc3nnc(-c4ncccc4-c4cccc(F)c4)n23)n1,PEKINESHXRRPOB-UHFFFAOYSA-N,3,1,0.315,32,653,451.425,3.808,6,0.394,0.6,1.0,0.23710677815091494,0.26342437118771844,0.2661058186553355,0.3402953875676787,0.27673308889041187
EOS-3-34027,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nn5)c4)n23)cc1,ZSZRJIIVEMWNOE-UHFFFAOYSA-N,3,1,0.638,84,73,464.316,4.572,5,0.364,0.72,1.0,0.8322767459392776,0.8522462476869302,0.732694811870331,0.7992169830717566,0.8041086971420739
EOS-3-34028,COc1nc(-c2cnn(C)c2)ccc1-c1cncc2nnc(-c3nccnc3-c3ccccn3)n12,NPAROOQLLHFNEO-UHFFFAOYSA-N,3,1,0.3,86,114,462.477,3.114,6,0.38,0.61,1.0,0.14008635460215202,0.06761017065314234,0.12083647453909944,0.0884620656569118,0.1042487663628264
EOS-3-34029,CCOc1ncc(-c2nnc3cncc(-c4ccc(-c5nccn5C)cc4F)n23)cn1,XFGOINRZCHUGGY-UHFFFAOYSA-N,3,1,0.323,82,478,416.42,3.187,5,0.434,0.72,1.0,0.4366647248303749,0.3912514563772188,0.3286700705914605,0.26374991433075184,0.3550840415324515
EOS-3-34030,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cn2)cc1,NUTVPSSSQBSTLA-UHFFFAOYSA-N,3,1,0.32,30,668,416.448,4.101,6,0.43,0.71,1.0,0.018161880611335755,0.041438215338222194,0.5503563840723734,0.5767596463573436,0.29667903159481873
EOS-3-34031,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3cccc(Cl)n3)n12,OTEPRHZSWPHARZ-UHFFFAOYSA-N,3,1,0.489,4,338,434.822,3.41,5,0.387,0.64,1.0,0.6800767596463574,0.7503426769926667,0.4068603933931876,0.4484785141525598,0.5714395860461929
EOS-3-34032,Cc1cnc(-c2cc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n(C)n2)nn1,VDYDHPITGNNASV-UHFFFAOYSA-N,3,1,0.315,39,972,465.456,2.948,6,0.386,0.62,0.988,0.10289733397299705,0.1679288602563224,0.08214824206702762,0.13367829483928448,0.12166318278390789
EOS-3-34033,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)nc1,XDNGHBHHONFXDH-UHFFFAOYSA-N,3,1,0.588,35,325,461.888,4.366,5,0.347,0.73,1.0,0.970264203961346,0.9660150092522788,0.6749109039819067,0.6686227811664724,0.819953224590501
EOS-3-34034,Cc1nc(COc2cncc3nnc(-c4cc(-c5cccnn5)cnn4)n23)ccc1F,AWRGMCBVDOQAEW-UHFFFAOYSA-N,3,1,0.435,53,785,415.392,2.46,5,0.427,0.7,0.995,0.45072304845452676,0.4103214310191214,0.26611438558015216,0.24549379754643275,0.3431631656500582
EOS-3-34035,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1F,XHGQKRXNIWYOOH-UHFFFAOYSA-N,3,1,0.614,88,876,450.424,4.231,5,0.387,0.64,1.0,0.9326554040161743,0.9234288259886231,0.8965286820642862,0.8769275580837502,0.9073851175382084
EOS-3-34036,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)nn1,IKSKBEABZPHSBD-UHFFFAOYSA-N,3,1,0.421,53,477,447.89,2.96,5,0.365,0.65,1.0,0.3851946405318347,0.36262936056473166,0.1595675416352546,0.17398567610170654,0.2703443047083819
EOS-3-34037,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ccc(C#N)cc3OCCO)n12,TYIPJDRTMUUWCO-UHFFFAOYSA-N,3,1,0.311,53,311,454.454,1.769,5,0.385,0.65,0.618,0.19033136865190872,0.12705606195600028,0.06693338359262559,0.0942875745322459,0.11965209718319511
EOS-3-34038,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5Cl)cc4F)n23)cn1,ZPSBPIPDVBSCST-UHFFFAOYSA-N,3,1,0.333,45,405,434.837,5.155,5,0.392,0.76,1.0,0.32948392844904395,0.49048214652868205,0.9237029675827565,0.9488297580700432,0.6731247001576314
EOS-3-34039,COc1nc(-c2cncnc2)nc(C(C)c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,XQYQULZFBQAWAB-UHFFFAOYSA-N,3,1,0.376,85,357,454.454,1.693,5,0.4,0.59,0.973,0.3761394010006168,0.11354602152011514,0.05141011582482352,0.010768624494551435,0.13796604071002674
EOS-3-34040,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6nncs6)n5)n34)nc2)cc1,WKHPDFKLOMPOIE-UHFFFAOYSA-N,3,1,0.266,98,952,425.441,2.348,6,0.418,0.61,0.866,0.009415050373517923,0.026454663833870195,0.014152559797135221,0.037625933794805014,0.02191205194983209
EOS-3-34041,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4ccnc(Cl)c4)ccn3)n12,HFHVWYUHWKDLBL-UHFFFAOYSA-N,3,1,0.456,18,840,447.861,4.057,5,0.362,0.66,1.0,0.74961448838325,0.7183794805016791,0.7402422726338154,0.7714601466657529,0.7449240970461244
EOS-3-34042,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)c2)cn1,LFESRWNOIXARIB-UHFFFAOYSA-N,3,1,0.43,2,858,432.394,3.204,5,0.39,0.62,0.999,0.7375008566924817,0.6361027345624015,0.6317336029059009,0.557766774038791,0.6407759920498939
EOS-3-34043,Cn1ccnc1-c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)cn1,UIHYNMPRJQRBNB-UHFFFAOYSA-N,3,1,0.349,85,290,418.411,3.51,5,0.434,0.68,0.729,0.28510725789870467,0.25318689603180045,0.605373175245014,0.5009937632787335,0.4111652731135631
EOS-3-34044,Clc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)c1,FGJWIPAVOZKQLR-UHFFFAOYSA-N,3,1,0.394,44,194,465.304,3.967,5,0.347,0.7,0.956,0.6091854567884313,0.5889503803714619,0.4781286409430471,0.5892673565896785,0.5663829586731547
EOS-3-34045,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4cc(-c5nnn(C)n5)ccc4F)n23)cn1,BBZXPQOFXZNWPK-UHFFFAOYSA-N,3,1,0.318,98,219,465.456,2.948,6,0.386,0.58,1.0,0.12956617092728395,0.2993968884929066,0.17243506270988965,0.19875265574669318,0.20003769446919334
EOS-3-34046,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,WEXUVTGVBMNSSE-UHFFFAOYSA-N,3,1,0.516,35,265,461.432,3.552,5,0.363,0.63,1.0,0.8829329723802344,0.6945377287368926,0.6719039133712562,0.5673274621341923,0.7041755191556439
EOS-3-34047,Cc1cc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)nc(C)n1,WANPPRLGTPBSHO-UHFFFAOYSA-N,3,1,0.422,7,758,410.441,3.234,5,0.435,0.82,1.0,0.30909464738537457,0.19372387087930917,0.20581180179562744,0.15540401617435406,0.2160085840586663
EOS-3-34048,Cn1cnnc1-c1cccc(-c2ccnc(-c3nnc4cncc(-c5cnn(C(F)F)c5)n34)c2)c1,GKYNLUVTOTVUNY-UHFFFAOYSA-N,3,1,0.256,98,765,470.447,3.907,6,0.376,0.67,1.0,0.045301898430539375,0.13368686176410116,0.5957011171269961,0.5608594338976081,0.3338873278048112
EOS-3-34049,CCCOc1ncccc1-c1cncc2nnc(-c3nccnc3-c3cccc(F)c3F)n12,CQSOJUOPLGQHBP-UHFFFAOYSA-N,3,1,0.306,39,961,445.433,4.377,5,0.383,0.69,1.0,0.522231169899253,0.5314149133027208,0.46429305736412857,0.4824035364265643,0.5000856692481667
EOS-3-34050,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)o1,ROXMHEKIMZFLIF-UHFFFAOYSA-N,3,1,0.684,57,11,435.846,5.126,5,0.381,0.8,1.0,0.9601895003769447,0.87564251936125,0.9054554177232541,0.885365979028168,0.9066633541224043
EOS-3-34051,Clc1ccc(Cc2cncc3nnc(-c4cc(OCc5ccc(Cl)nn5)ccn4)n23)cn1,ZOYQVYRLZAUDAU-UHFFFAOYSA-N,3,1,0.305,85,920,465.304,3.848,5,0.349,0.66,0.331,0.39188540881365225,0.40570385854293745,0.5233877047495031,0.5832619422931944,0.4760597285998218
EOS-3-34052,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)nn4)n23)c(F)c1,WIAZYFROIYQEIE-UHFFFAOYSA-N,3,1,0.361,67,765,469.444,2.709,6,0.374,0.65,1.0,0.47706634226578026,0.49993146460146665,0.1595761085600713,0.147642382290453,0.3210540744294428
EOS-3-34053,COc1c(F)cncc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3Cl)n12,AAAYJJQRIMQGBV-UHFFFAOYSA-N,3,1,0.451,97,666,462.872,4.628,5,0.363,0.75,1.0,0.8886299773833185,0.8169333835926256,0.817361729833459,0.7761376876156535,0.8247656946062641
EOS-3-34054,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)nc5)n34)no2)nn1,QCFTYQJGOZEWKN-UHFFFAOYSA-N,3,1,0.293,70,968,428.441,2.76,6,0.416,0.6,0.981,0.05649030224110753,0.10084983894181344,0.057081420053457614,0.06181036255225824,0.0690579809471592
EOS-3-34055,CC1CCC(C)N1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,WYLPCUXBEKWISN-UHFFFAOYSA-N,3,1,0.373,63,175,449.465,4.199,5,0.464,0.58,0.079,0.13757624563086834,0.19373243780412583,0.3886299773833185,0.37914639161126723,0.27477126310739497
EOS-3-34056,CCc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1nncc(C)n1,BVNPJLJHJNZHCL-UHFFFAOYSA-N,3,1,0.455,31,690,439.483,2.926,5,0.377,0.6,0.995,0.41582996367623876,0.2531954629566171,0.049679597011856626,0.041429648413405525,0.19003366801452953
EOS-3-34057,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnc(F)cn5)c4)n23)n1,ADYCYZIKCWIWMG-UHFFFAOYSA-N,3,1,0.523,24,99,414.404,3.065,5,0.432,0.72,1.0,0.530044205332054,0.5044719347543006,0.3776643136179837,0.3058820505791241,0.4295156260708656
EOS-3-34058,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,IVAGALYGJGDRKM-UHFFFAOYSA-N,3,1,0.402,13,724,436.809,4.972,5,0.395,0.7,1.0,0.7040812829826606,0.7044496607497772,0.89993831814132,0.9118120759372216,0.8050703344527449
EOS-3-34059,CCOc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncn(C)n5)nc4)n23)n1,QZZIKBBEASADNB-UHFFFAOYSA-N,3,1,0.427,31,986,444.459,1.792,5,0.349,0.61,0.977,0.3390189157699952,0.20291618120759372,0.018547392228085807,0.007333287643067644,0.14195394421218557
EOS-3-34060,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc(F)n2)nc1,JBVSTJODFDGGCN-UHFFFAOYSA-N,3,1,0.535,75,262,432.394,2.938,5,0.377,0.59,1.0,0.8791806593105339,0.7631245288191351,0.4282520046604071,0.4294856418340073,0.6250107086560209
EOS-3-34061,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)no1,NTWNFKABAQSINT-UHFFFAOYSA-N,3,1,0.333,38,57,424.449,4.027,6,0.417,0.64,1.0,0.19564286203824274,0.17657288739634022,0.332550887533411,0.3466691796312796,0.26285895414981836
EOS-3-34062,COc1cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1cnc(C)n1C,JCOFIMBUVXCPRJ-UHFFFAOYSA-N,3,1,0.447,16,606,459.485,3.93,5,0.38,0.65,1.0,0.6523199232403536,0.49538242752381606,0.5634637790418752,0.34667774655609623,0.5144609690905353
EOS-3-34063,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C)cn1,HFBMFUXFNIPYIO-UHFFFAOYSA-N,3,1,0.488,31,569,415.461,2.425,5,0.402,0.76,1.0,0.08817935713796175,0.0022188335275169623,0.08476115413611131,0.05738982934685765,0.05813729353711192
EOS-3-34064,Fc1cncc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)c1,ILASSBLHPBTFQJ-UHFFFAOYSA-N,3,1,0.457,2,354,418.367,2.896,5,0.402,0.68,1.0,0.5555736412857241,0.598202659173463,0.6287865807689672,0.6075234733739977,0.597521588650538
EOS-3-34065,Fc1cnc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nc1,PGLRWEYDHCPQGU-UHFFFAOYSA-N,3,1,0.577,73,82,438.875,4.681,5,0.396,0.74,1.0,0.9389606606812418,0.9533787951476937,0.6855424576793914,0.7460677815091494,0.8309874237543692
EOS-3-34066,Cn1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)c2)n1,YSQLZLWKJNAOFO-UHFFFAOYSA-N,3,1,0.511,36,404,439.361,2.373,5,0.384,0.6,1.0,0.5193955177849359,0.645603454184086,0.5434942772942225,0.5377116030429717,0.5615512130765541
EOS-3-34068,C#Cc1cc(Cl)c(COc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)cn1,ZGPISBGVLSHDRV-UHFFFAOYSA-N,3,1,0.436,55,85,442.87,3.196,5,0.385,0.58,1.0,0.637507710232335,0.6261308340758002,0.49884346514974987,0.45796209992461107,0.555111027345624
EOS-3-34069,CCc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ncccn1,STYULGKCTUPITQ-UHFFFAOYSA-N,3,1,0.389,46,717,444.886,3.833,5,0.364,0.66,1.0,0.6006613665958468,0.5787643067644438,0.24121033513809884,0.2576673977109177,0.41957585155232674
EOS-3-34070,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)no2)n(C)n1,WVKUECZPQCGRQC-UHFFFAOYSA-N,3,1,0.273,99,968,426.404,1.73,6,0.44,0.58,0.677,0.0834589815639778,0.056096223699540815,0.013501473511068467,0.009509286546501268,0.04064149133027209
EOS-3-34071,COc1cc(-c2cnc(F)cn2)ncc1COc1cncc2nnc(-c3ccc(C(N)=O)cn3)n12,FBCCQKAFNUGCFO-UHFFFAOYSA-N,3,1,0.37,33,62,473.428,1.864,5,0.37,0.66,1.0,0.5666849427729422,0.31457747926804197,0.23752655746693166,0.12294393804399972,0.3104332293879789
EOS-3-34072,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)cn1,LVLXOUYOMOBHNO-UHFFFAOYSA-N,3,1,0.356,80,855,463.465,2.413,6,0.362,0.61,1.0,0.41139229662120486,0.2686501953258858,0.10943389760811459,0.0797323692687273,0.21730218970598314
EOS-3-34073,Cc1nnsc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,HMVVBDOPTIAFLN-UHFFFAOYSA-N,3,1,0.704,43,326,434.912,4.851,5,0.393,0.8,1.0,0.7162291823726955,0.852254814611747,0.5862603659790282,0.6458004934548695,0.700136214104585
EOS-3-34074,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncn5C)c4)n23)c1F,MCMZDLYZNCYYPZ-UHFFFAOYSA-N,3,1,0.528,26,125,447.449,3.795,5,0.394,0.62,1.0,0.7375094236172983,0.6405318346926188,0.7428980193269824,0.6656843259543554,0.6966559008978137
EOS-3-34075,COc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,FALYBAUIMFUROE-UHFFFAOYSA-N,3,1,0.368,41,645,447.458,4.579,6,0.378,0.71,1.0,0.33188266739771094,0.11355458844493181,0.727511822356247,0.6280155575354671,0.45024115893358924
EOS-3-34076,Fc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cnn2)c1,PEJAJAWDGQCZGN-UHFFFAOYSA-N,3,1,0.422,13,251,437.797,4.367,5,0.412,0.61,1.0,0.6917963127955589,0.7677421012953191,0.8870793639915016,0.9150332396682886,0.8154127544376669
EOS-3-34077,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nc1,AMFVAELUMZSFIQ-UHFFFAOYSA-N,3,1,0.459,87,838,444.886,3.622,5,0.391,0.61,1.0,0.5804948255774107,0.6456120211089027,0.32503769446919334,0.34349941744911244,0.4736609896511548
EOS-3-34078,Fc1ccc(-c2nnc3cncc(OCc4nncn4-c4ccc(Cl)cc4)n23)cc1Cl,JEZXGHKOCXMABH-UHFFFAOYSA-N,3,1,0.549,34,612,456.268,4.397,5,0.39,0.7,1.0,0.6979473648139264,0.7846360770337879,0.8245579466794599,0.8989702556370365,0.8015279110410527
EOS-3-34079,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc2C)nn1,IWJYAHDCJWYMLC-UHFFFAOYSA-N,3,1,0.394,31,602,460.889,2.72,5,0.372,0.59,1.0,0.5979370845041464,0.612492289767665,0.04007607429237201,0.0505105887190734,0.32525400932081416
EOS-3-34080,Cc1csc(-c2ncncc2-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)n1,YUBISBHWLCKAMP-UHFFFAOYSA-N,3,1,0.303,85,476,437.439,3.332,5,0.412,0.59,0.845,0.17878315399904052,0.22798300322116374,0.18528544993489138,0.17968268110479063,0.19293357206497158
EOS-3-34081,CNC(=O)c1ccc(-c2nnc3cncc(OCc4scnc4-c4cc[nH]n4)n23)cc1,MKPCCECBHSGOPK-UHFFFAOYSA-N,3,1,0.462,89,398,432.469,2.576,5,0.423,0.63,1.0,0.5275255294359537,0.32458364745390994,0.11202967582756494,0.05888904118977452,0.25575697347680076
EOS-3-34082,Cc1cnnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)n1,DWFXEOODTOCPIB-UHFFFAOYSA-N,3,1,0.41,31,954,463.864,3.156,5,0.35,0.67,0.994,0.6261908025495169,0.6405404016174354,0.22316839147419643,0.27849359194023715,0.44209829689534647
EOS-3-34083,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ncc1-c1ncc(F)cn1,AEFLBMOALJBCSJ-UHFFFAOYSA-N,3,1,0.378,7,775,465.836,2.813,5,0.369,0.61,0.999,0.6950260434514427,0.602691727777397,0.2886111301487218,0.2637584812555685,0.46252184565828247
EOS-3-34084,Fc1cnc(Cl)cc1-c1cc(-c2cncc3nnc(-c4ccc(Cl)nc4)n23)ncn1,IHMKGANBAKTPNA-UHFFFAOYSA-N,3,1,0.321,50,155,439.241,4.151,5,0.39,0.63,0.728,0.3091032143101912,0.5314234802275375,0.8034062093071072,0.8728325680213831,0.6291913679665547
EOS-3-34085,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnccc5-c5ccccc5)n34)cn2)n(C)n1,PHPNIKDACKRGIC-UHFFFAOYSA-N,3,1,0.304,30,945,445.49,4.019,6,0.404,0.61,0.997,0.17879172092385717,0.08189980124734425,0.2661229525049688,0.29032451511205537,0.2042847474470564
EOS-3-34086,COc1nc(C(F)(F)F)ncc1Cc1cncc2nnc(-c3ccc(C(F)F)c(F)c3)n12,PBZFEIQIRBLSOY-UHFFFAOYSA-N,3,1,0.365,66,225,454.334,4.276,4,0.419,0.61,1.0,0.6950346103762594,0.8012644781029402,0.9761753820848468,0.9214841340552395,0.8484896511548214
EOS-3-34087,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(C(F)(F)F)cc3F)n12,QJMMNRYOGHZJSV-UHFFFAOYSA-N,3,1,0.352,45,315,444.323,4.805,5,0.372,0.75,1.0,0.4818809540127476,0.7230570214515798,0.9944657665684326,0.9915615790555822,0.7977413302720855
EOS-3-34088,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)c(F)c2)n1,VCGLUWAJNCDNDP-UHFFFAOYSA-N,3,1,0.522,37,832,460.448,3.555,5,0.379,0.64,1.0,0.8624323212939483,0.8552618052223974,0.5024158727983004,0.4452316496470427,0.6663354122404221
EOS-3-34090,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)nc1,XUDJGDTVTGHORG-UHFFFAOYSA-N,3,1,0.321,32,371,446.449,4.511,6,0.393,0.64,1.0,0.2907956959769721,0.34845966691796315,0.4679854019601124,0.5543742718113905,0.41540375916660954
EOS-3-34091,c1ccc(-c2ncc(-c3nnc4cncc(-c5cnc(-c6cncnn6)s5)n34)cn2)cc1,PJUASEFHINDXTB-UHFFFAOYSA-N,3,1,0.342,94,342,436.464,3.224,6,0.41,0.59,1.0,0.03945068878075526,0.0782674251250771,0.09189740250839559,0.1315451305599342,0.08529016174354054
EOS-3-34092,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)nc1,MOBJMIYVVKYMSJ-UHFFFAOYSA-N,3,1,0.378,53,873,467.827,2.986,5,0.371,0.6,1.0,0.6289065177164005,0.6309368788979508,0.41730347474470564,0.5211945719964362,0.5495853608388732
EOS-3-34093,COc1cc(-c2cc(C)nn2C)ccc1-c1nnc2cncc(OCCc3cscn3)n12,NBEQVCYGUWBWEM-UHFFFAOYSA-N,3,1,0.593,15,771,447.524,3.587,5,0.376,0.64,1.0,0.3343842094441779,0.23272051264478102,0.19529161812075937,0.09834829689534645,0.21518615927626616
EOS-3-34094,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5F)n34)cn2)s1,YHKHZUXYOIAJJY-UHFFFAOYSA-N,3,1,0.355,39,443,461.417,3.7,6,0.387,0.63,1.0,0.3318912343225276,0.42850901240490713,0.3623552189705983,0.4136453978479885,0.38410021588650534
EOS-3-34095,Cc1nc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,XFRCQPCWAFLSFR-UHFFFAOYSA-N,3,1,0.494,58,578,446.902,3.565,5,0.368,0.67,1.0,0.48684120348159826,0.545361866904256,0.38489479816325134,0.34350798437392915,0.4401514632307587
EOS-3-34096,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,CWGSSKILDYRPMJ-UHFFFAOYSA-N,3,1,0.455,18,207,426.44,2.152,5,0.417,0.63,1.0,0.36911452265094924,0.23780069906106505,0.32504626139401,0.2695240216571859,0.30037137619080256
EOS-3-34097,Fc1cc(COc2cncc3nnc(-c4cncc(-c5cccnc5F)c4)n23)ncc1Cl,KLPSSCQAKGVFJU-UHFFFAOYSA-N,3,1,0.511,2,469,451.824,4.154,5,0.371,0.69,1.0,0.7008258515523268,0.8012730450277569,0.8798403125214174,0.8838667671852511,0.816451494071688
EOS-3-34098,CCn1cnnc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5nncs5)cc4)n23)cn1,YCDGFDXKANMIPD-UHFFFAOYSA-N,3,1,0.253,98,765,453.495,3.045,6,0.387,0.59,1.0,0.06716469056267563,0.056104790624357484,0.0332910698375711,0.04656980330340621,0.0507825885820026
EOS-3-34099,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ncn2)cc1,DRBAOUGGXVCSHZ-UHFFFAOYSA-N,3,1,0.409,44,616,418.819,4.833,5,0.416,0.81,0.999,0.6738486053046399,0.7718627921321363,0.8498817764375299,0.8963916112672196,0.7979961962853814
EOS-3-34100,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)c(F)c2)n1,MMWUKTGLLQAOSC-UHFFFAOYSA-N,3,1,0.455,13,451,443.417,4.442,5,0.408,0.67,1.0,0.7674079912274689,0.727563223905147,0.8835326571174011,0.8405352614625454,0.8047597834281407
EOS-3-34101,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cn2)ccc1C#N,JMNUHTLTTOAWQY-UHFFFAOYSA-N,3,1,0.495,11,275,451.465,4.189,5,0.381,0.69,0.999,0.9277808237954903,0.9333578918511412,0.780095606880954,0.7355818655335481,0.8442040470152834
EOS-3-34102,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cnn(C6(C)CC6)c5)n34)cc2)CC1,YWAUTFBDHGLDGI-UHFFFAOYSA-N,3,1,0.333,63,792,413.485,3.446,6,0.541,0.74,0.999,0.09307107120827908,0.056113357549174146,0.010228908231101364,0.051778493591940235,0.052797957645123704
EOS-3-34103,Cn1ccc(-c2ccc(F)nc2-c2nnc3cncc(-c4cccc(-c5nnnn5C)c4)n23)n1,XHEZNRCREFECQE-UHFFFAOYSA-N,3,1,0.282,25,866,453.445,2.583,6,0.374,0.58,1.0,0.09078370228222878,0.18922623535055857,0.13821019806730175,0.1796912480296073,0.14947784593242408
EOS-3-34104,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cnn2)s1,ANAUVUTVNLGZTC-UHFFFAOYSA-N,3,1,0.461,53,226,437.876,3.036,5,0.382,0.63,0.853,0.5248697827427866,0.6896974162154753,0.10153519292714687,0.1476509492152697,0.36593833527516967
EOS-3-34105,Cc1nc(Cl)cnc1COc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,FOEBPOBHBJBQPL-UHFFFAOYSA-N,3,1,0.43,92,875,431.847,2.974,5,0.413,0.58,1.0,0.5275340963607703,0.5224796107189363,0.18529401685970803,0.2138904118977452,0.36229953395929
EOS-3-34106,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2)c(F)c1,HCEYKRZOWNPDBA-UHFFFAOYSA-N,3,1,0.462,46,162,465.851,4.196,5,0.371,0.67,0.998,0.8222791446782263,0.8614556918648482,0.7169402371324789,0.7640925913234186,0.7911919162497429
EOS-3-34107,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)cc4F)n23)nc1,ZSDJWONRMMVBDU-UHFFFAOYSA-N,3,1,0.404,63,505,406.396,2.948,5,0.551,0.83,0.986,0.1730604482215064,0.20758515523267768,0.39220238503186894,0.5278939072030704,0.32518547392228087
EOS-3-34108,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)nn2C)cn1,DADKSKVSGWULHY-UHFFFAOYSA-N,3,1,0.43,95,998,454.416,3.405,5,0.366,0.67,0.997,0.28788294153930505,0.28395072304845453,0.6749194709067233,0.6165358782811322,0.4658222534439037
EOS-3-34109,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)cc2)c1,QLLKTPFAFUCNND-UHFFFAOYSA-N,3,1,0.356,41,818,445.461,5.116,6,0.375,0.78,1.0,0.3192807209923926,0.43310945103145776,0.8530601055445137,0.8616184634363648,0.6167671852511822
EOS-3-34110,CCn1cc(-c2cc(-c3cncc4nnc(-c5cc(C(F)(F)F)ccc5F)n34)ncn2)cn1,DJAPRHSCISDXHG-UHFFFAOYSA-N,3,1,0.297,50,542,454.391,4.29,5,0.377,0.71,1.0,0.2878915084641217,0.3958861627030361,0.9529761496813104,0.9071259680625042,0.6359699472277431
EOS-3-34111,Cc1nc(-c2nnc3cncc(OCc4cncc(C(F)F)c4)n23)ccc1-c1cncn1C,IXGOAWNRRQCYIL-UHFFFAOYSA-N,3,1,0.435,31,62,448.437,3.807,5,0.39,0.65,0.285,0.5609279692961414,0.37733020355013364,0.7091015009252278,0.5801178808854773,0.5568693886642451
EOS-3-34112,OCc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cn1,QYNGKQDRQNHEIH-UHFFFAOYSA-N,3,1,0.374,46,564,464.848,2.902,5,0.403,0.62,1.0,0.5834675484887945,0.5314320471523541,0.6172726338153657,0.5983054622712631,0.5826194229319444
EOS-3-34113,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)c2)cn1,SDFFNJUFLCEYQO-UHFFFAOYSA-N,3,1,0.516,15,545,443.486,4.139,5,0.376,0.67,1.0,0.38071413885271743,0.3626379274895484,0.5168597080392022,0.41999348913713935,0.42005131587965183
EOS-3-34114,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)cc2)nn1,JNVXYIFQPMGRNF-UHFFFAOYSA-N,3,1,0.261,98,727,419.412,2.49,6,0.457,0.59,1.0,0.08818792406277842,0.08525803577547804,0.2812949763552875,0.3058906175039408,0.1901578884243712
EOS-3-34115,Cc1ccc(-c2nnc3cncc(-c4nc(C)ccc4OCc4ccc(Cl)cc4)n23)nc1,IUTHMUYHUYIPCO-UHFFFAOYSA-N,3,1,0.365,44,586,442.91,5.098,5,0.377,0.78,0.999,0.4770749091905969,0.4463796175724762,0.6554382838736207,0.6428020697690358,0.5554237201014325
EOS-3-34116,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4cccnc4F)ccn3)n12,ILRGMKHHRMGIRX-UHFFFAOYSA-N,3,1,0.436,18,840,431.406,3.543,5,0.38,0.63,1.0,0.8143376053731752,0.6556267562195874,0.7169488040572956,0.7115773421972449,0.7246226269618258
EOS-3-34117,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cnc(C(F)F)cn5)ncn4)n23)c(F)c1,LSEDHZBVZFEEBG-UHFFFAOYSA-N,3,1,0.409,46,971,454.347,4.046,5,0.367,0.67,0.998,0.7008344184771435,0.7137447741758618,0.8732866150366665,0.842402851072579,0.7825671646905626
EOS-3-34118,Fc1cc(-c2cc(F)cnc2F)cc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,CEVJNBCMAJBNFU-UHFFFAOYSA-N,3,1,0.602,35,439,448.408,4.287,5,0.361,0.69,1.0,0.8921338496333356,0.8756510862860668,0.9179631279555891,0.907134534987321,0.8982206497155782
EOS-3-34119,Fc1ccc(CCOc2cncc3nnc(-c4cc(F)c(-c5ccnc(F)c5)cn4)n23)cn1,IHUBLMCCBUSXNE-UHFFFAOYSA-N,3,1,0.477,18,384,449.396,3.682,5,0.365,0.63,1.0,0.8345983825645946,0.7846446439586047,0.8336731546843945,0.8204886573915428,0.8183512096497841
EOS-3-34120,Fc1cnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)nc1,ACHWAQWJQBNZLO-UHFFFAOYSA-N,3,1,0.539,84,166,449.396,3.682,5,0.365,0.63,1.0,0.8372969638818449,0.7461620176821329,0.7066770612021109,0.7300818998012474,0.7550544856418341
EOS-3-34121,COc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ccn4)n23)c(F)cn1,UDLWOLMZGYAMMV-UHFFFAOYSA-N,3,1,0.379,46,88,464.848,3.418,5,0.373,0.61,1.0,0.634569255020218,0.5686724693304092,0.5634723459666918,0.49145020903296555,0.5645410698375711
EOS-3-34122,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccccc5-c5ccccc5)n34)cn2)nn1,CFGZZBVUAOKTBP-UHFFFAOYSA-N,3,1,0.337,30,220,456.513,4.605,6,0.374,0.71,1.0,0.1157905558220821,0.107540607223631,0.33594338976081145,0.3917826057158522,0.2377642896305942
EOS-3-34123,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)[nH]n4)n23)c1F,XACOCAXEPFFTBK-UHFFFAOYSA-N,3,1,0.424,87,490,420.383,2.871,5,0.45,0.64,0.927,0.5069049414022343,0.41032999794393804,0.502424439723117,0.5314149133027208,0.48776857309300253
EOS-3-34124,Fc1cc(-c2nnc3cncc(OCc4nnc(-c5ccoc5)s4)n23)ccc1Cl,WMMZDJVOSVUUNA-UHFFFAOYSA-N,3,1,0.568,4,391,428.836,4.274,5,0.412,0.73,1.0,0.7525358097457336,0.8388904118977452,0.4988520320745665,0.6137601946405319,0.6760096120896443
EOS-3-34125,Cc1cnc(F)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)c1,FLXFQLNIEHPEBK-UHFFFAOYSA-N,3,1,0.368,13,412,433.834,4.537,5,0.384,0.71,1.0,0.862440888218765,0.864377013227332,0.7846532108834213,0.7562624220409842,0.8169333835926256
EOS-3-34126,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)nn1,UREZZCCIUFYFMR-UHFFFAOYSA-N,3,1,0.303,70,719,450.441,3.245,6,0.376,0.6,0.874,0.15410184360222054,0.2378092659858817,0.31782434377355906,0.3372027277088616,0.26173454526763074
EOS-3-34127,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1F,GGBZWENNEBJYLJ-UHFFFAOYSA-N,3,1,0.517,26,55,449.877,4.441,5,0.356,0.72,1.0,0.7436947433349325,0.6651189089164553,0.7777996710300871,0.7511137002261669,0.7344317558769105
EOS-3-34128,Cc1cc(-c2nncn2C)ccc1-c1nnc2cncc(Oc3ccc(-c4ccnn4C)cn3)n12,DOXZNFGSWQZJIS-UHFFFAOYSA-N,3,1,0.327,67,789,464.493,3.483,6,0.381,0.65,1.0,0.26904427386745255,0.152439860187787,0.24840655198409978,0.1659841683229388,0.20896871359056954
EOS-3-34129,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5ccccc5)s4)n23)cc1,ZOGPDCUSNCALBW-UHFFFAOYSA-N,3,1,0.325,64,365,452.478,4.573,6,0.387,0.71,0.991,0.14297340826536906,0.2686587622507025,0.252116030429717,0.4070917003632376,0.26770997532725654
EOS-3-34130,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c2)nc1,PHNUMWDJAWXGSH-UHFFFAOYSA-N,3,1,0.484,2,265,449.396,3.682,5,0.391,0.61,1.0,0.8576348433966143,0.8492135563018299,0.8400983482968953,0.8345212802412446,0.845367007059146
EOS-3-34131,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,QYGZQOVIIVTSER-UHFFFAOYSA-N,3,1,0.583,2,328,449.877,4.441,5,0.381,0.7,1.0,0.6463230758686862,0.6027002947022136,0.8074754985950243,0.787754437667055,0.7110633267082449
EOS-3-34132,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)c(F)c4)n23)c1,RBSHTMWJMMQUBJ-UHFFFAOYSA-N,3,1,0.505,36,895,453.388,3.033,5,0.386,0.6,1.0,0.6261993694743335,0.5640291960797752,0.7091100678500446,0.6686313480912891,0.6419924953738606
EOS-3-34133,Cn1nccc1-c1cncc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)c1,DUHOLIFITINKLN-UHFFFAOYSA-N,3,1,0.479,87,349,450.865,3.396,5,0.391,0.58,1.0,0.5454218353779727,0.5314406140771709,0.5267202385031869,0.5413611130148722,0.5362359502433007
EOS-3-34134,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3F)n12,MXJHNUBUZJILTP-UHFFFAOYSA-N,3,1,0.352,25,213,480.467,3.254,6,0.366,0.76,1.0,0.27680590775135355,0.3437992598176958,0.33255945445822765,0.30900897813720785,0.31554340004112125
EOS-3-34135,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(C#N)c4)n23)cc1F,PVSJTWOHPDCONF-UHFFFAOYSA-N,3,1,0.385,61,129,406.808,3.482,4,0.562,0.83,1.0,0.4389520937564252,0.4725944075114797,0.902208553217737,0.8948495648002193,0.6771511548214653
EOS-3-34136,COc1cc(F)cc(COc2cncc3nnc(-c4cncc(-c5ccc(C)nn5)c4)n23)c1,DBVJEXYUFMCIAU-UHFFFAOYSA-N,3,1,0.457,4,875,443.442,3.678,5,0.392,0.61,1.0,0.6375162771571516,0.6309454458227675,0.6554468507984373,0.5212031389212528,0.6112779281749023
EOS-3-34137,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)ccn2)cc1F,YKOMKPXAELAXET-UHFFFAOYSA-N,3,1,0.541,73,795,465.851,4.196,5,0.371,0.66,1.0,0.9506630799808101,0.9121204852306216,0.737646494414365,0.7902217120142554,0.8476629429100131
EOS-3-34138,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)c(F)c4)n23)nc1,JDBDLWBMGZGYSK-UHFFFAOYSA-N,3,1,0.494,46,348,413.416,3.67,5,0.434,0.75,1.0,0.8222877116030429,0.6798625865259407,0.5670019189911589,0.5078044685079843,0.6442391714070317
EOS-3-34139,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)cn1,KTJITRZHACLVSO-UHFFFAOYSA-N,3,1,0.477,46,181,413.416,3.67,5,0.434,0.75,1.0,0.6433075183332191,0.5407357275032554,0.5925913234185457,0.5510074703584401,0.581910509903365
EOS-3-34140,Cc1ncc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1-c1cncn1C,RESPSQZHKZRIRR-UHFFFAOYSA-N,3,1,0.419,7,535,433.863,2.918,5,0.416,0.59,1.0,0.42531354944829003,0.45954698101569463,0.277645466383387,0.23992529641559865,0.3506078233157426
EOS-3-34141,COc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ncc(C)cn1,ZLQNNDYNIHLJPB-UHFFFAOYSA-N,3,1,0.406,65,116,441.455,2.372,5,0.371,0.58,0.996,0.46213419231032826,0.1808306490302241,0.04626139401000617,0.021434445891302858,0.17766517031046536
EOS-3-34142,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccc2F)cn1,PTLUHEMJVIENOZ-UHFFFAOYSA-N,3,1,0.553,4,253,447.861,4.323,5,0.396,0.64,1.0,0.7955760400246727,0.8671184291686657,0.784661777808238,0.7787677335343705,0.8065309951339867
EOS-3-34143,Cc1cc(Cl)ccc1-c1nnc2cncc(Cc3nnc(-c4cncnc4)cc3F)n12,SAPBJTWAOCKEHJ-UHFFFAOYSA-N,3,1,0.337,85,81,432.85,3.73,5,0.427,0.54,1.0,0.3598793776985813,0.4771091768898636,0.5435028442190392,0.6399235830306353,0.5051037454595299
EOS-3-34144,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4noc(C(F)F)n4)cn3)n12,HSXHMGWWANPNPS-UHFFFAOYSA-N,3,1,0.444,18,262,454.372,3.33,5,0.365,0.69,1.0,0.6066153793434309,0.559754300596258,0.48878589541498185,0.42949420875882394,0.5211624460283737
EOS-3-34145,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccncc6)s5)n34)cn2)nc1,MWCLPYUFKLBVLH-UHFFFAOYSA-N,3,1,0.307,32,557,434.488,4.434,6,0.405,0.68,1.0,0.05133301350147351,0.10404530189843054,0.310191213761908,0.3466863134809129,0.20306396066068122
EOS-3-34146,Cc1ncc(-c2cccc(-c3nnc4cncc(COCc5cc(F)ccc5Cl)n34)c2)nn1,VDGNMRQKGIHMEW-UHFFFAOYSA-N,3,1,0.46,14,189,461.888,4.461,5,0.368,0.69,1.0,0.4842968268110479,0.5840072647522445,0.7524415735727503,0.7761462545404701,0.6492229799191283
EOS-3-34147,Cn1nnnc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)c(F)c1,DGATZCPPSLNXMR-UHFFFAOYSA-N,3,1,0.375,99,502,471.42,1.499,6,0.359,0.69,1.0,0.4135854293742718,0.4331180179562744,0.03192036186690426,0.029427386745253924,0.22701279898567608
EOS-3-34148,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nn2)cn1,YKTHGHLJAPGKLH-UHFFFAOYSA-N,3,1,0.301,38,620,457.91,4.211,6,0.365,0.69,1.0,0.01734802275375231,0.14851620862175313,0.44325269001439244,0.527902474127887,0.28425484887944624
EOS-3-34149,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5nncc(F)n5)c4)n23)cn1,WRNZAYBUDFUAHI-UHFFFAOYSA-N,3,1,0.494,53,659,416.38,1.855,5,0.418,0.66,0.997,0.719493180727846,0.665127475841272,0.13821876499211844,0.12924062778425058,0.41302001233637176
EOS-3-34150,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4cnc(-c5cocn5)nc4)n23)c1,QSAACWKNBCLECQ-UHFFFAOYSA-N,3,1,0.488,73,877,423.795,3.608,5,0.422,0.62,1.0,0.8346069494894113,0.8012816119525735,0.5798523062161607,0.6310311150709341,0.71169299568227
EOS-3-34151,C#Cc1ccc(COc2cncc3nnc(-c4cc(-c5cnnn5CC)cnn4)n23)cn1,ZZUNNUNQLNHYRR-UHFFFAOYSA-N,3,1,0.457,92,105,424.428,1.815,5,0.376,0.66,1.0,0.11017065314234803,0.0522668083064903,0.09902508395586321,0.08487252415872798,0.08658376739085738
EOS-3-34152,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nn2)n1,WGOXCISIAFJCNN-UHFFFAOYSA-N,3,1,0.282,99,14,422.416,1.829,6,0.45,0.62,0.998,0.06522856555410869,0.08853060105544514,0.06694195051744226,0.06338667671852512,0.0710219484613803
EOS-3-34153,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccs6)n5)n34)nc2)nc1,MAPAMPMEHWVYIQ-UHFFFAOYSA-N,3,1,0.309,70,687,453.466,3.968,6,0.395,0.61,0.841,0.21775409499006237,0.33860770337879514,0.2958330477691728,0.3726183949009664,0.30620331025974923
EOS-3-34154,COc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,GCRMHEUCSZNYSF-UHFFFAOYSA-N,3,1,0.494,65,578,444.43,2.808,5,0.35,0.65,1.0,0.7700294702213694,0.6077290795695977,0.3139520937564252,0.22494174491124666,0.47916309711465976
EOS-3-34155,Fc1ccccc1CCOc1cncc2nnc(-c3ccnc(-c4ccccc4F)c3)n12,VDKSWKGHQGHMCY-UHFFFAOYSA-N,3,1,0.77,57,732,429.43,4.753,5,0.39,0.72,1.0,0.9186313480912891,0.8863597423069015,0.8965372489891029,0.9048985676101706,0.901606726749366
EOS-3-34156,Cn1nccc1-c1cncc2nnc(-c3ccc(-c4ccnc(C5CCCOC5)n4)cc3)n12,LGPIOQMPKIEAKW-UHFFFAOYSA-N,3,1,0.284,52,229,438.495,3.543,6,0.423,0.66,1.0,0.07926975532862723,0.021802823658419575,0.03192892879172093,0.07974093619354397,0.05318561099307793
EOS-3-34157,Fc1cc(-c2nnc3cncc(OCCc4cccs4)n23)ncc1-c1cncnc1,JOCACCJNUUOVKQ-UHFFFAOYSA-N,3,1,0.54,87,367,419.445,3.465,5,0.416,0.66,1.0,0.7871461860050716,0.67477383318484,0.4321071208279076,0.4387122198615585,0.5831848399698444
EOS-3-34158,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5cncs5)c4)n23)nc1,MFSFBRDOHBAIQA-UHFFFAOYSA-N,3,1,0.388,33,348,462.47,2.783,5,0.383,0.58,1.0,0.49676170241929957,0.3484682338427798,0.26975532862723595,0.1739942430265232,0.3222448769789596
EOS-3-34159,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)nc2)n1,FVMBWNMWGNDHTG-UHFFFAOYSA-N,3,1,0.389,46,915,449.837,3.113,5,0.373,0.6,1.0,0.7256270988965801,0.6996007813035433,0.4031252141731204,0.4167294907819889,0.5612706462888082
EOS-3-34160,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)nn1,ZYZNRSNHPMCWJQ-UHFFFAOYSA-N,3,1,0.462,55,486,449.837,3.113,5,0.373,0.6,1.0,0.7525443766705503,0.6556353231444041,0.4432612569392091,0.43872078678637516,0.5725404358851347
EOS-3-34161,c1cnc(-c2cccc(Cc3cncc4nnc(-c5ccnc(-c6cscn6)c5)n34)n2)nc1,QPQJIQXGYWUBBZ-UHFFFAOYSA-N,3,1,0.337,28,557,449.503,3.753,6,0.392,0.63,1.0,0.09785998218079638,0.10085840586663011,0.15958467548488794,0.16599273524775546,0.13107394969501748
EOS-3-34162,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5F)cn4)n23)cn1,YPIUSQZWPDPYCH-UHFFFAOYSA-N,3,1,0.488,51,969,414.404,3.065,5,0.404,0.79,1.0,0.7554913988074841,0.7631330957439517,0.41346549242683844,0.3499760126105133,0.5705164998971969
EOS-3-34163,Cc1ncc(COc2cncc3nnc(-c4ccc(Cl)c(COCC(F)F)c4)n23)nc1C,GUIMNRDSSGDIBW-UHFFFAOYSA-N,3,1,0.467,68,12,460.872,4.212,4,0.389,0.68,0.999,0.7162377492975122,0.842454252621479,0.7686159276266191,0.6889606606812418,0.7540671475567131
EOS-3-34164,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cn1,CUNYEQJQXGVDLB-UHFFFAOYSA-N,3,1,0.484,87,858,444.886,3.622,5,0.391,0.6,1.0,0.6676632855870057,0.7183880474264958,0.3812281543417175,0.3756939209101501,0.5357433520663423
EOS-3-34165,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)cc(F)c5F)nn4)n23)cc1,SABAKSSTBIXRBM-UHFFFAOYSA-N,3,1,0.31,98,783,474.41,3.252,6,0.361,0.7,1.0,0.05134158042629018,0.23781783291069838,0.6287951476937839,0.6686399150161059,0.39664861901171955
EOS-3-34166,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)ncn2)cn1,QKCWCIYSJBXORU-UHFFFAOYSA-N,3,1,0.441,44,238,432.394,3.204,5,0.39,0.6,0.995,0.7162463162223288,0.5453704338290727,0.6053817421698308,0.5212117058460695,0.5970525495168255
EOS-3-34167,Cc1nc(-c2cnc(C)s2)cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)n1,WRCPNQSDTGNEEB-UHFFFAOYSA-N,3,1,0.433,31,531,448.487,3.477,5,0.389,0.62,0.999,0.4967702693441162,0.4639760811459119,0.12356075663079981,0.11609039819066548,0.30009937632787337
EOS-3-34168,Cc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4ncc(F)cn4)c3)n12,YKOSUXYEAPZPEX-UHFFFAOYSA-N,3,1,0.542,75,420,428.431,3.107,5,0.406,0.59,1.0,0.8791892262353506,0.6846086628743746,0.27367041326845315,0.23397128366801453,0.5178598965115482
EOS-3-34169,Cc1ccncc1CCOc1cncc2nnc(-c3ccnc(-c4ncc(F)cn4)c3)n12,DQCXVAUSTZDMGS-UHFFFAOYSA-N,3,1,0.537,75,359,428.431,3.107,5,0.406,0.59,1.0,0.8488280446850799,0.6747824001096566,0.33256802138304437,0.2843790692892879,0.5351393838667672
EOS-3-34170,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)n1,SZWCGDFZIZFNAN-UHFFFAOYSA-N,3,1,0.549,75,183,420.885,4.542,5,0.388,0.79,1.0,0.5169111095881023,0.5640377630045919,0.5925998903433624,0.6252056061956001,0.5746885922829141
EOS-3-34171,CCc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)n1,PAAGYGVHVQUZBE-UHFFFAOYSA-N,3,1,0.457,65,658,426.444,2.012,5,0.381,0.6,1.0,0.4719004866013296,0.4416763758481256,0.02741415941333699,0.021443012816119527,0.2406085086697279
EOS-3-34172,FC(F)c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccncn5)n4)n23)cn1,TZRPZXICDMBWQH-UHFFFAOYSA-N,3,1,0.443,7,185,422.359,2.074,5,0.405,0.64,0.838,0.23711534507573162,0.3245922143787266,0.28861969707353846,0.2339798505928312,0.271076776780207
EOS-3-34173,N#Cc1cnc(-c2ncc(F)cn2)cc1-c1nnc2cncc(OCCc3cnccn3)n12,CNZUYJOHYLPRQP-UHFFFAOYSA-N,3,1,0.462,65,116,440.402,2.066,5,0.385,0.57,1.0,0.7674165581522857,0.6798711534507573,0.23055308066616406,0.23993386334041533,0.47944366390240556
EOS-3-34174,Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5cc(F)cc(F)c5)n4)n23)cn1,QXJZSAYURDVGPY-UHFFFAOYSA-N,3,1,0.477,4,975,420.383,2.933,5,0.431,0.64,1.0,0.31928928791720923,0.4103385648687547,0.4817695839901309,0.48241210335138096,0.4234523850318689
EOS-3-34175,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5nc(C(F)F)nn5C)cc4F)n23)nc1,LBNCTHHMIMGPNY-UHFFFAOYSA-N,3,1,0.302,50,432,480.414,2.48,5,0.406,0.66,0.201,0.2012970324172435,0.2839592899732712,0.17881742169830717,0.12924919470906723,0.19833073469947227
EOS-3-34176,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4cc(Cl)cc(F)n4)n23)c1,JNUZVZSKBKKAPC-UHFFFAOYSA-N,3,1,0.43,87,227,451.853,2.791,5,0.362,0.63,1.0,0.540127475841272,0.522488177643753,0.36972277431293266,0.41038996641765474,0.4606820985539031
EOS-3-34177,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)n1,SAFLQOHHLBFSNK-UHFFFAOYSA-N,3,1,0.517,72,639,454.277,4.165,5,0.352,0.71,1.0,0.8249263244465767,0.8247549859502433,0.5538431224727571,0.6428106366938524,0.7115837673908574
EOS-3-34178,Fc1cccnc1-c1cnnc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,GHZSHWZEWLCIDW-UHFFFAOYSA-N,3,1,0.424,54,511,434.822,3.41,5,0.387,0.6,1.0,0.6710215201151395,0.6405489685422521,0.5862689329038449,0.6485590432458365,0.6365996162017682
EOS-3-34179,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)nc1,WROCEXPZVBAPAQ-UHFFFAOYSA-N,3,1,0.446,18,65,433.382,2.333,5,0.372,0.59,1.0,0.7317867178397642,0.6027088616270304,0.3359519566856281,0.35308580631896375,0.5058833356178466
EOS-3-34180,Clc1cccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1,YSCGOGYDFRUENK-UHFFFAOYSA-N,3,1,0.37,69,152,462.904,5.026,6,0.362,0.77,1.0,0.2040127475841272,0.3773387704749503,0.5957096840518128,0.7220803920224796,0.4747853985333425
EOS-3-34181,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(CF)cs4)n23)cc1Cl,ITKCSYOWORFGIA-UHFFFAOYSA-N,3,1,0.523,4,911,455.906,4.35,5,0.378,0.73,0.998,0.5248783496676033,0.6027174285518471,0.45400418065931053,0.47632958673154685,0.5144823864025769
EOS-3-34182,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c(F)c2)s1,OKENWEPYEKCNOM-UHFFFAOYSA-N,3,1,0.529,72,482,468.905,3.822,5,0.37,0.69,1.0,0.8012559111781234,0.8522633815365637,0.23417688986361457,0.30589918442875746,0.5483988417517648
EOS-3-34183,Cn1ncc(-c2ccccc2)c1-c1nnc2cncc(-c3cn(-c4ccc(Cl)cc4F)nn3)n12,PGPCHQDNTBAQSH-UHFFFAOYSA-N,3,1,0.284,10,39,471.887,4.232,6,0.382,0.7,0.624,0.00754746076348434,0.11985127818518265,0.495331025974916,0.659918785552738,0.32066213761908025
EOS-3-34184,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)n1,KDEFPCCIACOCAC-UHFFFAOYSA-N,3,1,0.536,16,256,419.445,3.731,5,0.429,0.7,1.0,0.770038037146186,0.7044582276745939,0.39221095195668565,0.3561956000274142,0.5557257042012199
EOS-3-34185,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)cc1F,JEEBVMVFKVGZEW-UHFFFAOYSA-N,3,1,0.699,24,912,416.391,4.106,5,0.429,0.75,1.0,0.9239599753272565,0.8012901788773902,0.8692087588239326,0.8514666575286135,0.8614813926392982
EOS-3-34186,COc1nc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)ccc1-c1ncc(F)cn1,RSEKXVGOVHZKDH-UHFFFAOYSA-N,3,1,0.424,49,896,458.457,3.116,5,0.363,0.64,1.0,0.7131707902131451,0.4953909944486327,0.15023816050990335,0.09429614145706257,0.363274021657186
EOS-3-34187,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)cnn2)c1,XJHLTTIAMICVJF-UHFFFAOYSA-N,3,1,0.429,55,980,432.394,3.204,5,0.417,0.57,1.0,0.695043177301076,0.5840158316770612,0.6202539236515661,0.592428551847029,0.6229353711191831
EOS-3-34188,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)c2)nc1,HWQUGRBZAFPDGF-UHFFFAOYSA-N,3,1,0.425,46,949,432.394,3.204,5,0.417,0.57,1.0,0.7613169076828181,0.5597628675210746,0.5301641422794874,0.4855561647590981,0.5842000205606196
EOS-3-34189,Cc1ccnc(-c2nc(C)ncc2-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1,LOMXFOROHAPUBA-UHFFFAOYSA-N,3,1,0.304,94,723,458.489,3.779,6,0.388,0.6,1.0,0.18183297923377426,0.09457028305119594,0.16273730381742169,0.15016962511137003,0.14732754780344048
EOS-3-34191,Fc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5F)n34)n2)c1,ZKZQYQLYGMQKRE-UHFFFAOYSA-N,3,1,0.346,93,991,451.44,4.984,6,0.378,0.74,1.0,0.05816941950517442,0.36264649441436503,0.8156140771708588,0.8769361250085669,0.5283415290247413
EOS-3-34192,CCc1cnc(OC)c(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4F)n23)c1,OEWCIYNBCSMYMM-UHFFFAOYSA-N,3,1,0.441,97,214,446.442,4.13,5,0.368,0.73,1.0,0.7674251250771024,0.6747909670344733,0.519960934822836,0.34669488040572954,0.5772179768350353
EOS-3-34193,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)c(Cl)c2)n1,RZBJRIFCWLBSSO-UHFFFAOYSA-N,3,1,0.482,16,256,425.861,3.839,5,0.418,0.68,1.0,0.5722448769789596,0.6456205880337195,0.26976389555205266,0.290333082036872,0.44449061065040096
EOS-3-34194,Cc1ccnnc1-c1ncc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1F,OSEAEAUVSCDDBW-UHFFFAOYSA-N,3,1,0.413,46,915,448.849,3.718,5,0.4,0.59,1.0,0.7404393119045988,0.7968525118223563,0.4643016242889452,0.5046090055513672,0.6265506133918168
EOS-3-34195,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)ncn2)cn1,OIHCQTKGFOZHHH-UHFFFAOYSA-N,3,1,0.517,73,354,448.849,3.718,5,0.4,0.59,1.0,0.7871547529298882,0.8835155232677678,0.6082859296826811,0.6012267836337468,0.720045747378521
EOS-3-34196,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cnc(Cl)nn5)n4)n23)nc1,CPQHAEMTUGMXLO-UHFFFAOYSA-N,3,1,0.368,51,924,454.788,2.339,5,0.39,0.56,0.997,0.6710300870399561,0.7091015009252278,0.18530258378452472,0.2813206771297375,0.46168871221986163
EOS-3-34198,Cc1cccnc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5ncc[nH]5)cc4)n23)s1,RDZKQSBCWJZUOX-UHFFFAOYSA-N,3,1,0.253,42,339,436.504,4.675,6,0.431,0.7,0.984,0.059959906791857996,0.13738777328490165,0.2412189020629155,0.2722997052977863,0.17771657185936535
EOS-3-34199,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6cccn6)n5)n34)cn2)cc1,RBIUUBXGAKITPN-UHFFFAOYSA-N,3,1,0.303,30,93,416.448,4.101,6,0.43,0.73,0.998,0.02010657254471935,0.024133027208553218,0.3959975327256528,0.4387293537111918,0.2197416215475293
EOS-3-34200,Fc1cccc(-c2ccnc(-c3nnc4cncc(CCc5cccc(Cl)c5)n34)c2)c1,JKQZZKALAYQGOP-UHFFFAOYSA-N,3,1,0.408,57,358,429.886,5.431,5,0.373,0.89,0.999,0.35988794462339796,0.4999400315262833,0.8784696045507505,0.932484065519841,0.6676954115550682
EOS-3-34201,Fc1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1-c1ccncc1,BAGFPSOSMFJEER-UHFFFAOYSA-N,3,1,0.518,88,490,464.863,4.801,5,0.359,0.76,1.0,0.934728599821808,0.9533873620725104,0.8965458159139196,0.9161640737440888,0.9252064628880817
EOS-3-34202,COc1nc(-c2nnc3cncc(OCCc4ccc(C)nn4)n23)ccc1-c1ccccn1,YWJBHCGERAOGBN-UHFFFAOYSA-N,3,1,0.467,49,501,440.467,2.977,5,0.377,0.58,0.994,0.4182030018504558,0.18500274141594134,0.08713419231032829,0.051787060516756904,0.18553174902337055
EOS-3-34203,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccnnc6)n5)n34)nc2)c(F)c1,WIYQETNUJSTBSS-UHFFFAOYSA-N,3,1,0.276,10,136,466.415,3.441,6,0.385,0.6,1.0,0.3091117812350079,0.4196336782948393,0.5168682749640189,0.5861575628812281,0.45794282434377354
EOS-3-34204,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1,DHZXGIFJCPLUGA-UHFFFAOYSA-N,3,1,0.317,3,498,466.415,3.441,6,0.385,0.6,1.0,0.26641422794873554,0.36769241313138235,0.5670104859159756,0.6744140223425399,0.4688827873346584
EOS-3-34205,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)[nH]2)cc1,CPRONYFVGCQWMW-UHFFFAOYSA-N,3,1,0.338,30,220,450.893,4.959,6,0.407,0.75,0.985,0.2013055993420602,0.3912600233020355,0.6022119799876636,0.7407734219724488,0.48388775615105206
EOS-3-34206,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccncn1,SAVGEDDBUCOJKD-UHFFFAOYSA-N,3,1,0.541,4,554,438.875,4.681,5,0.396,0.71,1.0,0.8886385443081352,0.8917569049414023,0.8053851689397574,0.8204972243163594,0.8515694606264136
EOS-3-34207,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5F)n34)nc2)cn1C,OZZAPIAVEIYDOU-UHFFFAOYSA-N,3,1,0.267,70,615,464.468,3.553,6,0.389,0.61,1.0,0.1757761633883901,0.2279915701459804,0.4321156877527243,0.3978308546364197,0.3084285689808786
EOS-3-34208,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)ccn1,OJFIQAOZXKEQEZ-UHFFFAOYSA-N,3,1,0.5,75,183,415.844,3.876,5,0.402,0.75,1.0,0.6617092728394216,0.6507007744500034,0.6881982043725584,0.6862535124391749,0.6717154410252896
EOS-3-34209,Cc1ncc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1C,QOVACVRTWSCJNB-UHFFFAOYSA-N,3,1,0.615,43,521,448.889,4.872,5,0.383,0.72,1.0,0.9171235693235557,0.9178860256322391,0.8545764512370639,0.8424114179973956,0.8829993660475636
EOS-3-34210,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,TWFLXCMYOMMHCY-UHFFFAOYSA-N,3,1,0.424,51,184,419.836,2.609,5,0.427,0.62,1.0,0.4745048317455966,0.44638818449729284,0.17882598862312385,0.19063977794530876,0.3225896957028305
EOS-3-34211,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5c(F)cncc5Cl)n34)c2)nn1,BKRBKXQUNOTKPX-UHFFFAOYSA-N,3,1,0.511,2,559,462.876,3.761,5,0.375,0.65,1.0,0.737517990542115,0.7887824686450552,0.556995750805291,0.5673360290590089,0.6626580597628675
EOS-3-34212,Cn1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cc2)n1,MKEQAEQERCVBLS-UHFFFAOYSA-N,3,1,0.386,62,319,416.435,4.72,5,0.416,0.82,1.0,0.35066136659584674,0.3145860461928586,0.9254420533205401,0.8920910150092523,0.6206951202796245
EOS-3-34213,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cc2Cl)n1,GGSSFGDKWLLIRB-UHFFFAOYSA-N,3,1,0.542,4,677,450.915,3.949,5,0.396,0.65,1.0,0.4669830717565623,0.6405575354670687,0.16274587074223837,0.18513981221300801,0.36385657254471937
EOS-3-34214,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(C5CCOCC5F)c4)n23)nc1,JFJPWYZKBQKAOJ-UHFFFAOYSA-N,3,1,0.259,50,974,445.462,2.75,6,0.419,0.61,0.932,0.049730998560756634,0.10086697279144678,0.1788345555479405,0.21661469398944555,0.13651180522239736
EOS-3-34215,COc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C#N)cn5)ncn4)n23)cn1,HRDWUMLTZREOAW-UHFFFAOYSA-N,3,1,0.423,7,354,438.411,1.893,5,0.382,0.6,1.0,0.5094236172983346,0.49539956137344937,0.23418545678843122,0.13566582139675143,0.34366861421424166
EOS-3-34216,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)nc1,OCBGVJVDOUZMLA-UHFFFAOYSA-N,3,1,0.462,19,672,465.851,4.196,5,0.371,0.65,1.0,0.7982746213419231,0.7761119868412035,0.8190237132478926,0.864762524844082,0.8145432115687752
EOS-3-34217,COc1ccc(-c2nccn2C)cc1-c1nnc2cncc(OCc3cc(F)ncc3F)n12,ZNADCCIYXXNJAZ-UHFFFAOYSA-N,3,1,0.468,16,772,449.421,3.453,5,0.367,0.64,1.0,0.6950517442258927,0.5407442944280721,0.7196816530738126,0.580126447810294,0.6339010348845179
EOS-3-34218,Clc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5nc[nH]n5)c4)n23)c1,OACRBJOOLVIGFR-UHFFFAOYSA-N,3,1,0.505,75,304,419.836,2.641,5,0.446,0.6,1.0,0.6037454595298472,0.6309540127475841,0.21973305462271264,0.26953258858200263,0.4309912788705367
EOS-3-34219,Cn1nc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1-c1ccc(F)c(Cl)c1,QXISEXNFQDOEPA-UHFFFAOYSA-N,3,1,0.614,19,570,466.879,4.745,5,0.361,0.79,1.0,0.6262079363991502,0.6456291549585361,0.8719244739908163,0.8976252484408197,0.7603467034473306
EOS-3-34220,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4nnccc4F)n23)nn1C,QJSUPUREYIZGPQ-UHFFFAOYSA-N,3,1,0.398,53,105,420.412,1.742,5,0.422,0.63,0.941,0.15695462956617093,0.14476389555205263,0.06695051744225892,0.05310636693852375,0.10544385237475157
EOS-3-34221,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5cnccc5Cl)n34)c2)c(C)cn1,GOQIHDKMWCGVKK-UHFFFAOYSA-N,3,1,0.415,18,160,443.898,4.493,5,0.395,0.67,1.0,0.527542663285587,0.4999485984511,0.6691453635802892,0.6223870879309163,0.5797559283119731
EOS-3-34222,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)cn1,BXLNYLKHQWNSAR-UHFFFAOYSA-N,3,1,0.42,31,194,447.89,3.135,5,0.35,0.65,1.0,0.31175896100335826,0.2228514152559797,0.23056164759098075,0.22495031183606332,0.2475305839215955
EOS-3-34223,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)s1,HOEWUNXDXXBQLT-UHFFFAOYSA-N,3,1,0.438,18,367,449.927,4.288,5,0.357,0.73,1.0,0.5118737577959016,0.5453790007538893,0.2886282639983552,0.302429579878007,0.41207765060653834
EOS-3-34225,Fc1ccc(-c2nnc3cncc(OCc4nncc(-c5cscn5)n4)n23)c(F)c1,YVACHAHNZGXOHC-UHFFFAOYSA-N,3,1,0.523,73,446,424.396,2.957,5,0.424,0.61,1.0,0.5834761154136111,0.7461705846069495,0.3471574943458296,0.4295027756836406,0.5265767425125076
EOS-3-34226,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5ncc(F)cn5)ncc4F)n23)cn1,GDEQSKMEMFVKKQ-UHFFFAOYSA-N,3,1,0.361,85,260,416.395,3.216,5,0.444,0.63,1.0,0.4046672606401206,0.42414844767322324,0.4988605989993832,0.4914587759577822,0.45478377081762733
EOS-3-34227,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncs6)cn5)n34)on2)nn1,LZQHVWVVWPRNID-UHFFFAOYSA-N,3,1,0.287,70,957,440.452,3.125,6,0.402,0.6,1.0,0.08346754848879447,0.1040538688232472,0.061065040093208144,0.07223631005414297,0.08020569186484819
EOS-3-34228,COc1cc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCc3ccc(F)c(C#N)c3F)n12,QFUPPPCCJXCLQH-UHFFFAOYSA-N,3,1,0.457,16,623,473.443,3.929,5,0.368,0.74,1.0,0.6710386539647728,0.6361113014872182,0.9228291412514564,0.8363974367760949,0.7665941333698856
EOS-3-34229,Cn1ncnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)n1,KKBRZMPOBSAYAH-UHFFFAOYSA-N,3,1,0.452,27,212,453.388,3.033,5,0.386,0.59,0.997,0.49942601603728326,0.5936707559454458,0.5893787266122953,0.5577753409636077,0.560062709889658
EOS-3-34230,Fc1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)ccn1,UYPDBYUNAQFGOB-UHFFFAOYSA-N,3,1,0.539,11,275,446.873,4.662,5,0.353,0.71,1.0,0.839721403604962,0.8835240901925845,0.8190322801727092,0.847791446782263,0.8475173051881296
EOS-3-34231,COc1ncc(-c2nnc3cncc(OCc4nnc(C(F)(F)F)o4)n23)cc1-c1ncccn1,VKBPDEITWCWYRA-UHFFFAOYSA-N,3,1,0.419,27,52,471.359,2.633,5,0.361,0.7,1.0,0.5376173668699884,0.5178363374683024,0.3471660612706463,0.16092111575628812,0.39088522034130635
EOS-3-34232,OCc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)ccc1F,SJDVGHIUYWFBDA-UHFFFAOYSA-N,3,1,0.65,59,13,463.419,4.342,5,0.403,0.73,1.0,0.9601980673017614,0.9197621821670893,0.9743763278733466,0.9659721746281955,0.9550771879925981
EOS-3-34233,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cnn2)c1,HUJPGRYLOJCQPT-UHFFFAOYSA-N,3,1,0.407,51,196,435.81,2.805,5,0.41,0.54,1.0,0.6006699335206634,0.6405661023918854,0.384903365088068,0.4579706668494277,0.5210275169625112
EOS-3-34234,CCc1nc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1nc(C)c(F)[nH]1,HQAUDJRVGQOQEK-UHFFFAOYSA-N,3,1,0.429,46,690,448.437,3.699,5,0.422,0.64,0.198,0.4070145980398876,0.4858474402028648,0.3178329106983757,0.2932715372489891,0.3759916215475293
EOS-3-34236,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)nc1C,WKLXBBCVJGWMRZ-UHFFFAOYSA-N,3,1,0.56,31,308,462.464,3.673,5,0.364,0.69,0.999,0.6037540264546638,0.4506031115070934,0.3737492289767665,0.37262696182578303,0.45018333219107665
EOS-3-34237,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nnn(-c5cccc(F)n5)n4)n23)c(F)c1,QIYUYWZHDWUNGR-UHFFFAOYSA-N,3,1,0.441,36,404,464.396,1.379,5,0.369,0.63,1.0,0.30646460146665755,0.3289099444863272,0.10154375985196354,0.09430470838187924,0.20780575354670686
EOS-3-34238,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)cn1,IUMQTFMRWMNMBF-UHFFFAOYSA-N,3,1,0.472,7,99,447.846,2.158,5,0.412,0.58,1.0,0.5044205332054006,0.5088324994859845,0.24841511890891646,0.23700397505311493,0.37466803166335416
EOS-3-34239,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4cncc(Cl)c4)n23)cc1F,MTXQPVQXHPYXGV-UHFFFAOYSA-N,3,1,0.446,26,374,435.85,4.655,5,0.399,0.68,1.0,0.7982831882667397,0.7718713590569529,0.773130697005003,0.7737817832910698,0.7792667569049414
EOS-3-34240,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccn1,MHXMIGLOLOUIEQ-UHFFFAOYSA-N,3,1,0.529,75,265,450.865,3.396,5,0.391,0.6,1.0,0.6316993352066342,0.545387567678706,0.5670190528407922,0.5640377630045919,0.5770359296826811
EOS-3-34241,N#Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cc(F)nc(Cl)c5)ncn4)n23)cc1,NKLADJWCYUTIDR-UHFFFAOYSA-N,3,1,0.443,14,81,442.845,3.898,5,0.388,0.6,1.0,0.5324343773559044,0.5044805016791173,0.8245665136042766,0.8497275717908299,0.677802241107532
EOS-3-34242,Cn1cc(Cl)cc(Oc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)c1=O,STAOFECACLKNCP-UHFFFAOYSA-N,3,1,0.385,2,995,449.833,3.532,5,0.413,0.59,1.0,0.5044291001302172,0.554622712631074,0.6022205469124803,0.6485676101706531,0.5774599924611061
EOS-3-34243,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)ccn1,YLRAXLGXQALCJY-UHFFFAOYSA-N,3,1,0.404,18,503,465.851,4.196,5,0.347,0.71,1.0,0.6648190665478719,0.6846172297991913,0.7753923651566034,0.8144575423206086,0.7348215509560687
EOS-3-34244,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nn2)cn1,LLATZPNWZQQACS-UHFFFAOYSA-N,3,1,0.247,86,421,453.857,2.939,6,0.37,0.61,1.0,0.0051058871907340144,0.09148619011719553,0.26613151942978547,0.3435165512987458,0.1765600370091152
EOS-3-34245,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)nn1C,UGKZEZJJQVFNMB-UHFFFAOYSA-N,3,1,0.444,95,998,454.416,3.23,5,0.379,0.65,0.748,0.33677438146802824,0.26866732917551917,0.652671167157837,0.5924371187718457,0.46263749914330754
EOS-3-34246,CCc1nnn(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)n1C,JQTIDOSORQCQDH-UHFFFAOYSA-N,3,1,0.443,50,542,453.432,3.569,5,0.413,0.64,1.0,0.17038756767870605,0.29940545541772323,0.530172709204304,0.41365396477280514,0.35340492426838466
EOS-3-34247,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccc(F)nc6)n5)n34)cc2)c1,LFWLYNIDAKXYCT-UHFFFAOYSA-N,3,1,0.383,93,757,464.439,4.651,6,0.351,0.76,1.0,0.37129052155438286,0.5224967445685696,0.7352734562401481,0.7924919470906723,0.6053881673634431
EOS-3-34248,COc1nc(C)ncc1-c1nnc2cncc(-c3cc(-c4cncnc4)ccc3F)n12,DPABQFZEIYDEDV-UHFFFAOYSA-N,3,1,0.315,82,478,414.404,3.161,5,0.442,0.73,1.0,0.49189568912343223,0.5044890686039339,0.43212425467754095,0.37570248783496674,0.4510528750599685
EOS-3-34249,OCc1cc(COc2cncc3nnc(-c4cc(-c5ccnc(CF)c5)ncn4)n23)ccn1,FWVHSTSPGBJLDK-UHFFFAOYSA-N,3,1,0.382,46,238,444.43,2.579,5,0.403,0.59,0.968,0.46472997052977866,0.2892022479610719,0.4282605715852238,0.327522102666027,0.37742872318552534
EOS-3-34250,N=c1cnc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)n[nH]1,VAUBILXBLUGPOQ-UHFFFAOYSA-N,3,1,0.4,51,491,433.823,1.473,5,0.418,0.68,1.0,0.5427489548351724,0.4506116784319101,0.09408196833664588,0.09835686382016312,0.29644986635597287
EOS-3-34251,CCn1nc(-c2ccsc2)nc1-c1cncc2nnc(-c3ccc(C(C)=O)cc3)n12,XUNCKVRCLCZFIW-UHFFFAOYSA-N,3,1,0.342,74,333,415.482,4.001,5,0.403,0.78,1.0,0.0792783222534439,0.09757727366184635,0.05345761085600713,0.04657837022822288,0.06922289424988007
EOS-3-34252,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)c(F)c5)n34)s2)no1,YCCNDIZHKKKYCB-UHFFFAOYSA-N,3,1,0.325,42,693,445.439,4.672,6,0.385,0.73,1.0,0.3712990884791995,0.47260297443629634,0.3812367212665342,0.40710026728805426,0.4080597628675211
EOS-3-34253,Cc1nc(-c2nnc3cncc(OCc4cccc(OC(F)F)c4)n23)ccc1-c1cncn1C,HSPQPSGRUZFLGP-UHFFFAOYSA-N,3,1,0.528,27,348,463.448,4.076,5,0.359,0.73,1.0,0.7072596120896443,0.6507093413748201,0.7778082379549037,0.6599273524775546,0.6989261359742307
EOS-3-34254,COc1cc(Cl)nc(Oc2cncc3nnc(-c4ccnc(-c5cccc(C)n5)c4)n23)n1,GYCGCHMLRRDFAR-UHFFFAOYSA-N,3,1,0.367,24,912,446.858,3.801,5,0.372,0.67,1.0,0.5454304023027894,0.4241570145980399,0.2736789801932698,0.1906483448701254,0.35847868549105616
EOS-3-34255,CCc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)c(C)n4)n23)ncn1,KMRCZIIWFRELDB-UHFFFAOYSA-N,3,1,0.375,31,690,427.472,2.827,5,0.407,0.61,0.992,0.19033993557672538,0.12339798505928312,0.12356932355561648,0.06044822150640806,0.12443886642450824
EOS-3-34256,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc(Cl)n2)nn1,RDCMDPKAIMWYTH-UHFFFAOYSA-N,3,1,0.435,51,196,466.292,3.628,5,0.358,0.65,0.988,0.48188952093756426,0.5889589472962785,0.28130354328010415,0.34998457953533,0.42553414776231924
EOS-3-34257,Cc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cccnc1,WWHJRKPBBVUVTH-UHFFFAOYSA-N,3,1,0.536,1,962,429.43,5.019,5,0.393,0.79,1.0,0.9171321362483723,0.8208142005345761,0.9468422315125763,0.9317216092111575,0.9041275443766705
EOS-3-34258,Fc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5ccccn5)c4)n23)cc1F,FZHPKCAVBGPPSW-UHFFFAOYSA-N,3,1,0.639,84,360,431.406,3.543,5,0.406,0.6,0.999,0.8733551504351997,0.7846532108834213,0.7196902199986293,0.7195188815022959,0.7743043657048865
EOS-3-34259,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)n1,MFBBCPRCPAKTTB-UHFFFAOYSA-N,3,1,0.441,18,531,462.876,3.761,5,0.375,0.63,1.0,0.7404478788294154,0.670104859159756,0.4173120416695223,0.47035844013432937,0.5745558049482559
EOS-3-34260,Fc1cc(-c2nnc3cncc(-c4cc(-c5ccsc5)ncn4)n23)ccc1-c1cnccn1,WWXHDAFTEDMOEP-UHFFFAOYSA-N,3,1,0.329,94,596,452.478,4.573,6,0.387,0.69,1.0,0.28790007538893836,0.3626550613391817,0.6379960249468851,0.6514546638338702,0.4850014563772188
EOS-3-34261,N=c1cc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)nc[nH]1,WSWRYCAKRPIJOI-UHFFFAOYSA-N,3,1,0.478,16,256,436.888,3.35,5,0.436,0.66,1.0,0.597945651428963,0.5453961346035228,0.4609091220615448,0.4672914810499623,0.5178855972859983
EOS-3-34262,CCc1nc(OC)ncc1-c1nnc2cncc(Cc3ccc(-c4cccnn4)nc3)n12,GJMDYUXWVCIYAC-UHFFFAOYSA-N,3,1,0.301,85,60,425.456,2.595,5,0.404,0.61,0.932,0.24796107189363306,0.07138818449729285,0.04301452950448907,0.026583167706120212,0.09723673840038381
EOS-3-34263,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)nc1,KMUSIEPIEBLWLV-UHFFFAOYSA-N,3,1,0.239,39,114,455.392,2.564,6,0.369,0.59,0.974,0.008104310876567747,0.10754917414844767,0.25212459735453363,0.3467034473305462,0.17862038242752382
EOS-3-34264,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)c1,PFFMEUYRSMSZEK-UHFFFAOYSA-N,3,1,0.412,6,843,452.438,2.611,6,0.371,0.61,0.999,0.2908042629017888,0.1302429579878007,0.1756133918168734,0.13368686176410116,0.182586868617641
EOS-3-34265,Fc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c1,UFFKDLNQZHXFPO-UHFFFAOYSA-N,3,1,0.458,54,873,448.849,3.452,5,0.389,0.57,0.976,0.680085326571174,0.6556438900692207,0.4467565622644096,0.5543828387362073,0.5842171544102529
EOS-3-34266,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4ccccn4)cnn3)n12,DZYQUSYJNIGFSW-UHFFFAOYSA-N,3,1,0.432,54,873,448.849,3.452,5,0.389,0.57,0.994,0.7345881022548146,0.6456377218833528,0.5402217120142554,0.6075320402988144,0.6319948941128093
EOS-3-34267,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)cc(C#N)c2F)o1,QJPBMGCAKRXITM-UHFFFAOYSA-N,3,1,0.442,16,606,460.404,3.582,5,0.386,0.63,1.0,0.722508738263313,0.6261394010006168,0.6911023918854088,0.5983140291960798,0.6595161400863545
EOS-3-34268,Cc1ccc(-c2c(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)c(C)nn2C)cn1,DCYMWKROLWGEQV-UHFFFAOYSA-N,3,1,0.325,86,790,460.505,3.723,6,0.391,0.61,1.0,0.05458844493180728,0.03180042491947091,0.1756219587416901,0.14765951614008635,0.10241758618326366
EOS-3-34269,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ncn2)c1,RUHZKJFVOGWMOP-UHFFFAOYSA-N,3,1,0.43,18,194,419.445,3.465,5,0.416,0.68,0.826,0.6583510383112878,0.5362123912000548,0.41732060859433895,0.4262816119525735,0.5095414125145638
EOS-3-34270,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccn1,HZVRWMWXAUAHRE-UHFFFAOYSA-N,3,1,0.478,65,359,433.863,2.652,5,0.402,0.56,1.0,0.5864145706257282,0.5225053114933863,0.1382273319169351,0.14766808306490303,0.34870382427523816
EOS-3-34271,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)ccn2)cn1,HPQGWEXISYKUNM-UHFFFAOYSA-N,3,1,0.458,37,525,466.839,3.591,5,0.35,0.67,1.0,0.8322853128640944,0.8727211979987664,0.6141542731820986,0.6629343430882051,0.7455237817832912
EOS-3-34272,CCn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)s1,LNANARCYWHAKLD-UHFFFAOYSA-N,3,1,0.311,98,865,441.48,3.848,6,0.396,0.62,1.0,0.1818415461585909,0.13025152491261738,0.08965286820642862,0.10668391474196423,0.1271074635049003
EOS-3-34273,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(F)cn4)n23)nc1,SNNVOPDEVLQRIM-UHFFFAOYSA-N,3,1,0.398,33,806,406.381,1.587,5,0.513,0.86,1.0,0.3963402097183195,0.18923480227537523,0.03329963676238777,0.049362620793639914,0.16705931738743063
EOS-3-34274,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5nc(C)c(Cl)n5C)nc4)n23)n1,OJTHRUIMLZXMHD-UHFFFAOYSA-N,3,1,0.462,7,185,447.89,3.226,5,0.404,0.62,1.0,0.4530189843053937,0.527054348571037,0.09636077033787951,0.08488109108354465,0.2903287985744637
EOS-3-34275,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1-c1cccnn1,MHKAZCYQLXOTDC-UHFFFAOYSA-N,3,1,0.462,72,925,447.405,3.509,5,0.365,0.62,1.0,0.9291943663902406,0.7415615790555822,0.7567678706051676,0.6514632307586868,0.7697467617024193
EOS-3-34276,Cc1cnc(-c2cccnc2)c(-c2nnc3cncc(-c4ccc(-c5cnc(C)o5)nc4)n23)c1,FLNOYDNGSYTFON-UHFFFAOYSA-N,3,1,0.293,42,392,446.474,4.582,6,0.387,0.66,0.999,0.1455691864848194,0.07827599204989377,0.3658762250702488,0.3181841546158591,0.22697638955520527
EOS-3-34277,Fc1cc(-c2cncnc2)cc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4)n23)c1,XCSRZPDTVUBUKF-UHFFFAOYSA-N,3,1,0.511,27,988,467.386,4.38,5,0.354,0.74,1.0,0.8249348913713933,0.8458381879240627,0.9802018367486807,0.9466794599410595,0.899413593996299
EOS-3-34278,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ncn2)cn1,DCBQPOJWPSPHEO-UHFFFAOYSA-N,3,1,0.381,7,296,433.382,2.599,5,0.412,0.55,0.93,0.6860222054691248,0.472611541361113,0.46799396888492906,0.41673805770680555,0.5108414433554931
EOS-3-34280,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nc1-c1cncnc1,UUSPGZIJASUKNW-UHFFFAOYSA-N,3,1,0.523,59,817,468.279,4.668,5,0.37,0.76,1.0,0.8418031663354122,0.95022616681516,0.867829483928449,0.8976338153656364,0.8893731581111644
EOS-3-34281,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4ncc(Cl)cn4)c3)n12,GIMHOZVVIXAVIX-UHFFFAOYSA-N,3,1,0.523,73,665,468.279,4.668,5,0.37,0.76,1.0,0.9304023027893907,0.9533959289973272,0.8262798985676102,0.8728411349461997,0.8957298163251319
EOS-3-34282,CCOC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccc(F)cc4)n23)cc1,UTXBGRDSRWXTGB-UHFFFAOYSA-N,3,1,0.389,62,3,445.479,4.898,5,0.358,0.8,1.0,0.30124734425330685,0.4771177438146803,0.5435114111438558,0.5010023302035501,0.45571970735384826
EOS-3-34283,Fc1cccc(F)c1COc1cncc2nnc(-c3cncc(-c4ncccn4)c3)n12,SNIWPALAGTXHNY-UHFFFAOYSA-N,3,1,0.488,2,332,417.379,3.501,5,0.432,0.66,1.0,0.8275649372901104,0.689705983140292,0.7429065862517991,0.7355904324583648,0.7489419847851416
EOS-3-34284,Cc1cnc(-c2ncccc2-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cn1,VCCDDTKAXYBNLE-UHFFFAOYSA-N,3,1,0.489,65,981,428.431,3.107,5,0.38,0.63,1.0,0.7404564457542321,0.7322750325543143,0.3065074360907409,0.2754609005551367,0.513674953738606
EOS-3-34285,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cc(F)c(F)s3)n12,AJYPLYKAJHVKFS-UHFFFAOYSA-N,3,1,0.494,34,820,440.41,4.306,5,0.405,0.66,1.0,0.832293879788911,0.8583972997052978,0.8678380508532657,0.8598622438489479,0.8545978685491056
EOS-3-34286,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4F)n23)c1F,WGWNJAPDZBHPKQ-UHFFFAOYSA-N,3,1,0.467,16,606,433.422,3.752,5,0.42,0.6,1.0,0.6037625933794805,0.55026214789939,0.7731392639298198,0.6862620793639915,0.6533565211431704
EOS-3-34287,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6nnc(C)o6)n5)n34)c(F)c2)n1,IYGOZXYXJKLREC-UHFFFAOYSA-N,3,1,0.318,50,844,445.378,2.228,6,0.393,0.59,1.0,0.15411041052703722,0.15244842711260365,0.025280995133986704,0.02943595367007059,0.09031894661092453
EOS-3-34288,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(C#N)c(F)c5)cc4)n23)nc1,WXFSVMVKAYLIOH-UHFFFAOYSA-N,3,1,0.353,42,725,474.463,3.722,6,0.379,0.68,1.0,0.18741004728942498,0.367700980056199,0.6584709752587211,0.6774467137276403,0.47275717908299636
EOS-3-34289,c1ccc(-c2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)s2)cc1,ZDDGDNMVXRLFCT-UHFFFAOYSA-N,3,1,0.329,30,220,434.488,4.434,6,0.405,0.69,0.966,0.04812898362003975,0.10087553971626345,0.17244362963470633,0.2813292440545542,0.1506943492563909
EOS-3-34290,CCc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ncc(C)cn1,QQWKUUMIVSORDG-UHFFFAOYSA-N,3,1,0.434,31,690,456.485,3.67,5,0.365,0.64,0.739,0.6918048797203755,0.660304297169488,0.14702556370365294,0.13369542868891782,0.4082075423206086
EOS-3-34291,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)cc1Cl,LOEWSWCCAOZLBR-UHFFFAOYSA-N,3,1,0.43,46,223,451.824,4.154,5,0.371,0.66,0.999,0.8600078815708313,0.7761205537660202,0.7996453293125899,0.8098742375436914,0.8114120005482832
EOS-3-34292,Cc1nn(C)c(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,YZSLPXWROVSCEY-UHFFFAOYSA-N,3,1,0.329,98,154,452.457,3.486,6,0.435,0.57,1.0,0.11579912274689877,0.3145946131176753,0.25535432801041735,0.2962785278596395,0.24550664793365773
EOS-3-34293,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c1,LKLWISPPZHSJAW-UHFFFAOYSA-N,3,1,0.467,16,55,435.85,3.958,5,0.389,0.64,1.0,0.6918134466451923,0.5889675142210952,0.807484065519841,0.7854842025906381,0.7184373072441916
EOS-3-34294,Cc1cc(COc2cncc3nnc(-c4cncc(-c5cncc(F)c5)c4)n23)c(F)c(C)n1,IQIHQMCCYRCYDX-UHFFFAOYSA-N,3,1,0.438,2,419,445.433,4.117,5,0.402,0.64,1.0,0.7375265574669316,0.6218045370433829,0.7614968131039682,0.6919248166678089,0.7031881810705229
EOS-3-34295,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1Cl,WXFOUOKYGYMBBL-UHFFFAOYSA-N,3,1,0.524,13,145,456.268,4.825,5,0.386,0.74,1.0,0.5722534439037763,0.7183966143513124,0.840106915221712,0.8894267013912686,0.7550459187170172
EOS-3-34296,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cc(F)c2F)cn1,YFVRXDNQZJNKEG-UHFFFAOYSA-N,3,1,0.389,46,128,470.802,3.688,5,0.383,0.66,0.986,0.6648276334726887,0.8492221232266466,0.7247961071893633,0.7737903502158865,0.7531590535261462
EOS-3-34297,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cnc1C,ACGCUALNXZTSKA-UHFFFAOYSA-N,3,1,0.516,2,419,457.925,4.535,5,0.369,0.72,1.0,0.6918220135700089,0.7044667945994106,0.6112243848947981,0.5608680008224248,0.6420952984716607
EOS-3-34298,Clc1cc(-c2nnc3cncc(OCCc4cncs4)n23)cc(-c2ccccn2)n1,MDDRALXNIISDGJ-UHFFFAOYSA-N,3,1,0.518,58,583,435.9,3.98,5,0.372,0.68,0.996,0.6676718525118224,0.7091100678500446,0.29208073469947227,0.3530943732437804,0.5054892570762799
EOS-3-34299,Fc1cc(-c2ncncc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncc1Cl,ONOZOKWMJVVJCX-UHFFFAOYSA-N,3,1,0.605,59,232,468.279,4.668,5,0.37,0.74,1.0,0.9715578096086629,0.9666660955383456,0.8386162703036119,0.8920995819340689,0.9172349393461723
EOS-3-34300,Fc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c1,ODSSNMFQBDPQAK-UHFFFAOYSA-N,3,1,0.557,11,275,418.457,4.07,5,0.414,0.72,1.0,0.7496230553080666,0.7044753615242273,0.48524775546569804,0.4884774861215818,0.6069559146048934
EOS-3-34301,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nnc(C)s1,CQTILXPRIAZRPP-UHFFFAOYSA-N,3,1,0.489,16,591,465.926,4.254,5,0.367,0.75,1.0,0.6289150846412171,0.5936793228702625,0.38124528819135084,0.33072613254746075,0.4836414570625728
EOS-3-34302,Cc1nc(-c2ccc(F)nc2)c(-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)n1C,HDEDZSZMQOCZLV-UHFFFAOYSA-N,3,1,0.267,50,243,436.401,4.034,5,0.396,0.67,0.027,0.1703961346035227,0.28921081488588857,0.6638338701939552,0.6485761770954698,0.44300424919470904
EOS-3-34303,COc1cc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ncn4)n23)ccc1Cl,ODVSEBSBKKWZEM-UHFFFAOYSA-N,3,1,0.463,36,728,450.85,2.013,5,0.378,0.61,1.0,0.43199575080529096,0.6456462888081694,0.11803509012404907,0.12722740045233363,0.3307261325474608
EOS-3-34304,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)c2)nn1,RORIIFYNQGMBJW-UHFFFAOYSA-N,3,1,0.436,2,422,449.837,3.113,5,0.398,0.59,1.0,0.6037711603042971,0.6309625796724008,0.42826913851004045,0.4516482763347269,0.5286627887053663
EOS-3-34305,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnc(C)s5)nc4)n23)cn1,LVCCQMBXEOOADH-UHFFFAOYSA-N,3,1,0.478,87,661,430.497,3.338,5,0.404,0.61,1.0,0.44124802960729215,0.4682252758549791,0.08476972106092796,0.05448564183400727,0.2621821670893016
EOS-3-34306,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)nc1,PZKRDDNLDVZEGX-UHFFFAOYSA-N,3,1,0.605,75,420,414.404,2.799,5,0.418,0.71,1.0,0.827573504214927,0.6701134260845727,0.3432509766294291,0.3212425467754095,0.5405451134260846
EOS-3-34307,Cc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)ccc2F)nn1,LDDHAWTXUAUHLQ-UHFFFAOYSA-N,3,1,0.474,4,268,474.431,2.908,5,0.397,0.62,0.991,0.5275512302104036,0.3386162703036118,0.4357994654238914,0.3693629634706326,0.4178324823521349
EOS-3-34308,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)ccc2F)cn1,RAHCFJADNOJTOG-UHFFFAOYSA-N,3,1,0.512,37,563,463.904,4.309,5,0.373,0.75,1.0,0.6262165033239668,0.7631416626687684,0.6053903090946474,0.6280241244602838,0.6556931498869166
EOS-3-34309,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4cnc(-c5ccccc5)cn4)n23)nc1,JAMWYDXUTCLYLN-UHFFFAOYSA-N,3,1,0.325,32,902,447.437,3.906,6,0.4,0.58,1.0,0.2637927489548352,0.3386248372284285,0.3101997806867247,0.39476389555205266,0.3268453156055103
EOS-3-34310,Cc1ncccc1-c1ccnc(-c2nnc3cncc(OCc4ccc(CF)nc4)n23)c1,RGWRJVCOFKEBOV-UHFFFAOYSA-N,3,1,0.494,46,160,427.443,4.0,5,0.404,0.64,1.0,0.47190905352614626,0.3095144267013913,0.540230278939072,0.4358937015968748,0.4393868651908711
EOS-3-34311,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)nc2F)s1,YXEKBMCHSSVTEY-UHFFFAOYSA-N,3,1,0.44,31,237,451.491,2.816,5,0.363,0.65,1.0,0.35066993352066345,0.32891851141114387,0.03193749571653759,0.026591734630936878,0.18452941881982043
EOS-3-34312,CC(C)c1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4F)n23)nn1,XLUPMVZWOYWTAU-UHFFFAOYSA-N,3,1,0.483,36,534,444.474,3.823,5,0.393,0.68,1.0,0.46946747995339594,0.49995716537591667,0.509594955794668,0.34352511822356246,0.45563617983688576
EOS-3-34314,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)n1,JZLWFCBCPHJGCK-UHFFFAOYSA-N,3,1,0.494,97,19,421.873,3.937,5,0.397,0.69,1.0,0.6918305804948256,0.704483928449044,0.43580803234870813,0.48556473168391473,0.5794218182441231
EOS-3-34315,Cc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ncc(F)cn4)nc3)n12,PMFOHMHCFLIVLO-UHFFFAOYSA-N,3,1,0.456,55,930,448.849,3.718,5,0.375,0.65,1.0,0.8624494551435816,0.8320283051195942,0.5334367075594545,0.5111284353368515,0.6847607257898705
EOS-3-34317,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,GLHAYAMPKNGVGK-UHFFFAOYSA-N,3,1,0.575,35,982,413.416,3.404,5,0.421,0.75,1.0,0.9513912685902268,0.9216212048523063,0.6411315194297855,0.6012353505585635,0.7788448358577205
EOS-3-34318,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cncnc6)n5)n34)cn2)cc1,WYYFNPHZTWRCNT-UHFFFAOYSA-N,3,1,0.394,28,363,459.473,3.679,6,0.368,0.63,1.0,0.47708347611541363,0.4103471317935714,0.3214995545199095,0.30901754506202456,0.3794869268727298
EOS-3-34319,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)nn2)no1,YHGXENGGKLXKRR-UHFFFAOYSA-N,3,1,0.396,53,411,437.37,2.234,5,0.39,0.6,0.802,0.5194040847097526,0.39589472962785277,0.10422520731958056,0.13567438832156808,0.2887996024946885
EOS-3-34320,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)n(C)n1,AYFLXRIUJNCSJL-UHFFFAOYSA-N,3,1,0.411,13,706,435.85,4.48,5,0.414,0.68,1.0,0.44601123980535945,0.5314491810019876,0.6638424371187719,0.6514717976835035,0.5731936639024056
EOS-3-34321,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4Cl)n23)cc1,JGUMOEQWFSQYEE-UHFFFAOYSA-N,3,1,0.384,62,341,472.961,5.127,6,0.383,0.85,1.0,0.21227983003221162,0.2686758961003358,0.4887944623397985,0.610556164759098,0.39507658830786097
EOS-3-34322,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccccc5)n34)c(Cl)c2)n1,DOJJUEHKZMDGFW-UHFFFAOYSA-N,3,1,0.529,1,700,428.883,4.789,5,0.4,0.73,1.0,0.6289236515660338,0.7044924953738606,0.6202624905763827,0.6370879309163183,0.6476916421081489
EOS-3-34323,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4F)n23)cc1,SIQXDRDBNJELMY-UHFFFAOYSA-N,3,1,0.524,16,19,435.85,3.958,5,0.389,0.63,1.0,0.882941539305051,0.7415701459803988,0.752450140497567,0.7220889589472963,0.7747626961825782
EOS-3-34324,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)c(F)n5)n34)nc2)n1,APEVPDIIWRQDBA-UHFFFAOYSA-N,3,1,0.276,39,972,470.407,2.174,6,0.352,0.64,0.096,0.1594647385374546,0.25320402988143376,0.11203824275238161,0.16320848468233842,0.17197887396340208
EOS-3-34325,Fc1ccc(F)c(-c2ccnc(-c3nnc4cncc(Cc5ccc(F)c(F)c5)n34)c2)c1,GTHDBACDMCUZKB-UHFFFAOYSA-N,3,1,0.372,45,358,435.384,5.001,5,0.373,0.76,0.997,0.3942156123637859,0.5270629154958536,0.9819494894112809,0.9879891714070317,0.722804297169488
EOS-3-34326,CCc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nc4C)n23)nn1,GCGNATAKRJWJHB-UHFFFAOYSA-N,3,1,0.441,4,677,460.448,3.766,5,0.377,0.65,0.864,0.5777876773353438,0.6309711465972174,0.34325954355424576,0.3338873278048112,0.47147642382290456
EOS-3-34327,Fc1cccc(NCc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)c1,WRZPTWUECOZCFB-UHFFFAOYSA-N,3,1,0.378,57,962,414.419,4.744,5,0.421,0.88,1.0,0.15148893153313686,0.19831574258104312,0.8870879309163183,0.8867538208484682,0.5309116064697417
EOS-3-34328,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccnc(F)c5)c4)n23)cn1,OSOBQWBOKLXLBO-UHFFFAOYSA-N,3,1,0.375,14,358,430.874,4.94,5,0.378,0.77,1.0,0.39634877664313617,0.5133644027140017,0.8953807141388527,0.9025854979096704,0.6769198478514152
EOS-3-34329,CCn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cnn1,CBWAQQOVVNJMOE-UHFFFAOYSA-N,3,1,0.404,65,65,448.878,2.53,5,0.369,0.61,0.993,0.38294153930505104,0.37237852100609964,0.0534661777808238,0.06669350969775889,0.21886993694743337
EOS-3-34330,COc1nc(-c2cnnn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,FMRQNKHVGJUMRY-UHFFFAOYSA-N,3,1,0.308,30,945,461.489,3.719,6,0.382,0.64,1.0,0.14557775340963608,0.11069323555616475,0.24842368583373312,0.2222431635939963,0.18173445959838255
EOS-3-34331,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1cccnc1F,XWOIQRFNTJHOTO-UHFFFAOYSA-N,3,1,0.457,95,493,434.41,2.882,5,0.379,0.64,1.0,0.42983688575149065,0.3677095469810157,0.47813720786786373,0.470367007059146,0.43651266191487903
EOS-3-34332,COc1ncc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)cn1,LGQOXMBCYXZXLQ-UHFFFAOYSA-N,3,1,0.466,4,700,417.454,3.292,5,0.415,0.75,1.0,0.42286340895072305,0.33863340415324517,0.11503666643821533,0.07417243506270989,0.23767647865122335
EOS-3-34333,COc1ncc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1cncnc1,PCKGAIQKMKYSCI-UHFFFAOYSA-N,3,1,0.432,65,822,427.428,2.063,5,0.381,0.63,1.0,0.40702316496470425,0.25802720855321776,0.1470341306284696,0.08663731067096155,0.2246804537043383
EOS-3-34334,Cn1cncc1-c1nc(-c2nnc3cncc(OCc4nccnc4F)n23)ccc1F,FQLWIRFFKKFHOZ-UHFFFAOYSA-N,3,1,0.375,7,128,421.371,2.234,5,0.425,0.6,0.582,0.4694760468782126,0.377347337399767,0.25536289493523406,0.25767596463573433,0.33996556096223696
EOS-3-34335,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cc1F,BBLFQANWMLIESX-UHFFFAOYSA-N,3,1,0.61,88,80,447.42,4.892,5,0.371,0.75,1.0,0.9359365362209581,0.9378041258309917,0.9599153587828113,0.9597525872112946,0.9483521520115139
EOS-3-34336,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)nc2F)nc1,YAUFDXBDBFIMEY-UHFFFAOYSA-N,3,1,0.457,18,263,450.384,3.077,5,0.364,0.61,1.0,0.857643410321431,0.8169419505174422,0.5670276197656089,0.5737183880474265,0.7038328421629771
EOS-3-34337,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,BMXADFCRIJYYNI-UHFFFAOYSA-N,3,1,0.517,2,36,432.875,3.697,5,0.403,0.62,1.0,0.27971866218902064,0.3723870879309163,0.4358165992735248,0.420002056061956,0.37698110136385443
EOS-3-34338,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)c2)nn1,VUOKVLRZLJCOLE-UHFFFAOYSA-N,3,1,0.317,64,27,461.464,4.215,6,0.384,0.65,1.0,0.27681447467617026,0.35316290864231376,0.36236378589541496,0.44524021657185936,0.3593953464464396
EOS-3-34340,COCc1ccc(-c2nnc3cncc(OCc4c(F)c(C)cc(F)c4F)n23)cn1,CNEDFBBTYXDTAE-UHFFFAOYSA-N,3,1,0.495,90,555,415.375,3.637,4,0.448,0.74,1.0,0.7643410321431019,0.8354379411966281,0.9188540881365225,0.8547477897333973,0.8433452128024124
EOS-3-34341,Cc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ncn(C)n1,HDCUZNPBHXATJE-UHFFFAOYSA-N,3,1,0.442,31,773,431.435,2.446,5,0.377,0.64,1.0,0.5169196765129189,0.44168494277294224,0.13823589884175178,0.11131862106778151,0.3020397847988486
EOS-3-34342,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C(F)F)c5)n34)c2)nc1,VXGHSPBSWUICKB-UHFFFAOYSA-N,3,1,0.489,1,666,448.408,4.904,5,0.368,0.75,1.0,0.9038448358577205,0.8522719484613803,0.9418819820437255,0.908265369063121,0.9015660338564868
EOS-3-34343,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccsc5)n4)n23)cn1,IKOLDIRCZYHEKP-UHFFFAOYSA-N,3,1,0.294,70,392,436.504,4.377,6,0.408,0.63,0.973,0.14558632033445273,0.10088410664108012,0.28487595092865464,0.2962870947844562,0.2069083681721609
EOS-3-34344,CCn1nc(-c2cccc(F)c2)nc1-c1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,LUERNFDFSRRPLE-UHFFFAOYSA-N,3,1,0.381,3,787,463.48,4.333,6,0.375,0.69,1.0,0.11017922006716468,0.2892193818107052,0.23753512439174834,0.3467120142553629,0.24591143513124528
EOS-3-34345,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ncn2)n1C,TXWALMIOTDYXLA-UHFFFAOYSA-N,3,1,0.523,4,463,416.42,3.008,5,0.435,0.66,1.0,0.767433692001919,0.6846257967240079,0.3511239805359468,0.3059077513535741,0.527272805153862
EOS-3-34346,c1ccc(-c2cnc(-c3nnc4cncc(OCCc5ccc(-c6ccncc6)nn5)n34)nc2)nc1,QLSNJJBNRCVINH-UHFFFAOYSA-N,3,1,0.407,6,414,474.488,3.117,6,0.34,0.68,0.778,0.4004694674799534,0.21741998492221232,0.12357789048043315,0.1292577616338839,0.21768127612912067
EOS-3-34347,CCn1cc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)sn4)n23)c(F)n1,OMPLBDIYJXYABT-UHFFFAOYSA-N,3,1,0.467,31,773,436.476,3.287,5,0.386,0.63,1.0,0.2851158248235213,0.16403090946473853,0.0669590843670756,0.07792474813241039,0.14850764169693645
EOS-3-34348,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)ccn2)nc1,NUUDFHOJEXFKTO-UHFFFAOYSA-N,3,1,0.53,59,912,450.836,4.759,5,0.384,0.71,1.0,0.9292029333150572,0.8987903502158865,0.9237115345075732,0.9359536700705915,0.9219146220272771
EOS-3-34349,Cn1c(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cnc1C(C)(C)c1cccnn1,HEMKNDUPAVZRGO-UHFFFAOYSA-N,3,1,0.37,85,740,453.51,2.33,5,0.418,0.6,1.0,0.17306901514632309,0.06761873757795901,0.09190596943321225,0.023164964704269757,0.08893967171544104
EOS-3-34350,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccn2)o1,KXQRYZNXWQJWEQ-UHFFFAOYSA-N,3,1,0.449,55,283,420.82,3.172,5,0.395,0.67,1.0,0.57486635597286,0.6945462956617092,0.2484322527585498,0.2606401206223014,0.4446212562538551
EOS-3-34351,Cc1nnc(-c2cnc(-c3nnc4cncc(OCCc5cnccc5F)n34)nc2F)s1,IZADLYUHBNFVDN-UHFFFAOYSA-N,3,1,0.432,65,779,453.438,2.703,5,0.358,0.64,1.0,0.592377150298129,0.4999657323007333,0.08966143513124529,0.12926632855870057,0.32781766157220205
EOS-3-34352,Cn1c(-c2ccccc2)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1=O,XZDOYFPTXIGTJR-UHFFFAOYSA-N,3,1,0.478,4,700,445.87,3.179,5,0.409,0.58,0.999,0.4770920430402303,0.45522068398327736,0.4282777054348571,0.467300047974779,0.456972620108286
EOS-3-34353,c1cncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccsc5)cc4)n23)c1,BLFIOVVAXMXOLI-UHFFFAOYSA-N,3,1,0.263,64,174,433.5,5.039,6,0.387,0.8,1.0,0.13236755534233433,0.10755774107326434,0.4817781509149476,0.5673445959838257,0.32226201082859296
EOS-3-34354,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)nn1,JBAHGJYJLWDLRM-UHFFFAOYSA-N,3,1,0.408,18,88,462.876,3.761,5,0.375,0.62,0.99,0.6617178397642383,0.6218131039681996,0.5402388458638887,0.547709204304023,0.5928697484750873
EOS-3-34355,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5cccnc5)n4)n23)cc1,AIJUDGDJTDDTCS-UHFFFAOYSA-N,3,1,0.5,40,25,466.53,4.289,6,0.361,0.77,1.0,0.44125659653210886,0.36266362826399834,0.3511325474607635,0.2932801041738058,0.36208321910766916
EOS-3-34356,CC(C)OCc1cc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)n[nH]1,GFJOIROFPQDFAZ-UHFFFAOYSA-N,3,1,0.473,90,636,430.871,3.853,4,0.456,0.64,0.999,0.38295010622986775,0.24833801658556645,0.7196987869234459,0.677455280652457,0.5071105475978342
EOS-3-34357,Fc1cncc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnn5)c4)n23)c1,GTLJQZKPTGSFJQ-UHFFFAOYSA-N,3,1,0.523,16,772,418.367,2.896,5,0.429,0.62,1.0,0.897462476869303,0.7369440065793983,0.7376550613391817,0.7329175519155644,0.7762447741758618
EOS-3-34358,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc(C)n2)nc1,GWQCCDHMNMHYCB-UHFFFAOYSA-N,3,1,0.511,59,109,444.445,4.722,5,0.39,0.7,1.0,0.8012644781029402,0.640574669316702,0.8353351380988281,0.7854927695154548,0.7656667637584813
EOS-3-34359,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c(Cl)c1,UHLWWCDCTHBUBC-UHFFFAOYSA-N,3,1,0.489,20,279,468.308,3.305,5,0.374,0.64,1.0,0.5777962442601604,0.6077376464944144,0.2661400863546022,0.36937153039544923,0.4552613768761566
EOS-3-34360,CCn1nc(-c2cccc(F)n2)nc1-c1cncc2nnc(-c3ccc(Cl)nc3)n12,ZQMYPTGYSGJQIW-UHFFFAOYSA-N,3,1,0.337,50,844,421.827,3.319,5,0.41,0.65,0.851,0.17307758207113974,0.3335874854362278,0.09409053526146255,0.22824857789048042,0.20725104516482762
EOS-3-34361,Cc1ccc(COc2cncc3nnc(-c4cc(-c5cnc(Cl)c(F)c5)cnn4)n23)nn1,SBKZOIVNMRMPTO-UHFFFAOYSA-N,3,1,0.424,53,182,449.837,3.113,5,0.373,0.61,0.987,0.5194126516345693,0.5362209581248715,0.42485093550819,0.44848708107737645,0.4822429065862518
EOS-3-34362,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)nc1F,ALIGYBLBVXQEHX-UHFFFAOYSA-N,3,1,0.451,46,223,437.826,2.748,5,0.386,0.6,0.371,0.4320043177301076,0.522513878418203,0.26614865327941883,0.31819272154067574,0.3847148927421013
EOS-3-34363,Cc1ncc(-c2cc(F)c(F)c(COc3cncc4nnc(-c5ccc(CO)c(F)c5)n34)c2)o1,NTJBURUGTZZOKN-UHFFFAOYSA-N,3,1,0.495,59,607,467.407,4.243,5,0.399,0.7,1.0,0.9455743266397094,0.8835326571174011,0.9567284627510109,0.9214927009800562,0.9268320368720444
EOS-3-34364,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)cc3F)n12,LEFYECDURMYYQX-UHFFFAOYSA-N,3,1,0.692,11,732,435.459,4.815,5,0.383,0.76,1.0,0.8645140840243986,0.9270954698101569,0.8262884654924268,0.8264255362894936,0.8610808889041189
EOS-3-34365,FCCOc1cnc(-c2cncc3nnc(-c4ccc(-c5ccoc5)cc4F)n23)nc1,DZSLGMVHKYQQGQ-UHFFFAOYSA-N,3,1,0.323,82,261,420.379,3.996,5,0.41,0.71,1.0,0.5666935096977589,0.5362295250496881,0.6499211842916867,0.6629429100130217,0.6039467822630389
EOS-3-34366,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,OGRFKFZTQPKIJK-UHFFFAOYSA-N,3,1,0.494,11,0,454.437,4.349,5,0.38,0.71,1.0,0.841811733260229,0.8756596532108835,0.7615053800287849,0.7714687135905696,0.8126113700226167
EOS-3-34367,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)c(Cl)cn1,QKYRPWOOCZMNRE-UHFFFAOYSA-N,3,1,0.433,92,728,456.257,2.053,5,0.362,0.6,1.0,0.4719176204509629,0.5787728736892606,0.10669248166678089,0.19876122267150984,0.3390360496196286
EOS-3-34368,Cc1ncc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnc(C)o5)n4)n23)cn1,LEIGXQVYLDXQJX-UHFFFAOYSA-N,3,1,0.472,92,185,419.38,2.361,5,0.418,0.63,0.982,0.5275597971352204,0.4904907134534987,0.0735042149270098,0.05739839627167432,0.2872382804468508
EOS-3-34369,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(C#N)cc4F)n23)ncn1,AYOLXYRMQMQULH-UHFFFAOYSA-N,3,1,0.474,36,463,427.403,2.572,5,0.42,0.57,1.0,0.5479576451237064,0.6603128640943047,0.5570043177301076,0.5010108971283668,0.5665714310191213
EOS-3-34370,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,ZIGKNRQHUSGVKW-UHFFFAOYSA-N,3,1,0.487,96,697,432.434,4.943,5,0.38,0.8,1.0,0.5018761565348503,0.5270714824206703,0.910381399492838,0.8740747721197999,0.7033509526420396
EOS-3-34371,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccn5)cn4)n23)nc1,MPMONVZJEUUEST-UHFFFAOYSA-N,3,1,0.367,33,432,409.413,2.065,5,0.478,0.77,1.0,0.14009492152696867,0.04868583373312316,0.10670104859159756,0.07224487697895964,0.09193167020766226
EOS-3-34372,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ccn2)cn1,GRDGMISYAHKEQV-UHFFFAOYSA-N,3,1,0.512,55,441,414.404,3.065,5,0.404,0.75,1.0,0.7815348502501542,0.5889760811459118,0.5130559934206017,0.4103985333424714,0.5734913645397848
EOS-3-34373,Clc1cnnc(CCOc2cncc3nnc(-c4ccnc(-c5nc[nH]n5)c4)n23)c1,UZHUKWXGPSDNHI-UHFFFAOYSA-N,3,1,0.453,31,779,420.824,2.036,5,0.438,0.59,1.0,0.5506219587416901,0.6027259954766637,0.10155232677678021,0.14530361181550272,0.35005097320265915
EOS-3-34374,COc1nc(-c2cnc(F)cn2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,YAXJYSDTVHCRLG-UHFFFAOYSA-N,3,1,0.479,65,904,462.42,2.947,5,0.36,0.63,1.0,0.7982917551915565,0.6651360427660887,0.4321328216023576,0.34672058118017957,0.5605703001850456
EOS-3-34375,CCc1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1cnco1,HLTYSAQLWULHTN-UHFFFAOYSA-N,3,1,0.452,18,840,431.431,3.559,5,0.385,0.64,0.998,0.5894815297100953,0.5407528613528888,0.32505482831882665,0.29629566170927285,0.43789622027277086
EOS-3-34376,COc1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1ncccc1F,UDQJDIUQAUBJAI-UHFFFAOYSA-N,3,1,0.433,49,501,461.432,3.552,5,0.363,0.66,0.999,0.8064988691659242,0.5936878897950791,0.5058940442738674,0.45165684325954353,0.5894344116236035
EOS-3-34377,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)c2)cn1,YNQVEAOLOVHFET-UHFFFAOYSA-N,3,1,0.378,45,680,420.81,4.847,5,0.39,0.81,1.0,0.41583853060105547,0.6556524569940374,0.9638989788225618,0.9750017133849633,0.7525979199506545
EOS-3-34378,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nnco5)n4)n23)cn1,NFSODCBVJYBFIK-UHFFFAOYSA-N,3,1,0.261,76,176,450.422,2.764,6,0.382,0.57,0.688,0.2583870193955178,0.09457884997601261,0.08477828798574463,0.07016311424850935,0.1269768179014461
EOS-3-34379,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)cc1Cl,GZGFZPHBFHMWIS-UHFFFAOYSA-N,3,1,0.5,20,610,468.308,3.305,5,0.374,0.63,0.998,0.5864231375505449,0.6261479679254335,0.22317695839901308,0.3435336851483791,0.44482043725584264
EOS-3-34380,Cc1ncc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)n4)n23)n1,FKRFSOBWUKECBI-UHFFFAOYSA-N,3,1,0.29,10,783,467.443,4.083,6,0.385,0.65,0.99,0.03127784250565417,0.16793742718113905,0.4747104379411966,0.5832705092180112,0.3142990542115003
EOS-3-34381,CCn1c(COc2cncc3nnc(-c4ccc(-c5cnn(C)n5)nc4)n23)cnc1C#N,AVGOXGSGIZZXAU-UHFFFAOYSA-N,3,1,0.384,92,986,427.432,1.649,5,0.396,0.6,0.999,0.25839558632033444,0.23782639983551504,0.03867109862243849,0.023867452539236517,0.1396901343293811
EOS-3-34382,N#Cc1cc(-c2cnsc2)cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)c1,FNAINZQQBFFCBG-UHFFFAOYSA-N,3,1,0.483,2,94,446.883,3.809,5,0.4,0.61,1.0,0.47710060996504694,0.617264066890549,0.6411400863546022,0.6656928928791721,0.6002994140223425
EOS-3-34383,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)cn1,YGPBLISSAYEISK-UHFFFAOYSA-N,3,1,0.518,65,4,444.886,3.622,5,0.366,0.64,1.0,0.8118103625522582,0.8809968473716675,0.48178671783976423,0.4420533205400589,0.6541618120759373
EOS-3-34384,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)c(F)c1,CQJJWBGARKSRJZ-UHFFFAOYSA-N,3,1,0.494,37,832,451.412,3.626,5,0.392,0.6,1.0,0.7581043108765677,0.7137533411006785,0.8156226440956754,0.7832054005894045,0.7676714241655815
EOS-3-34385,Cc1cnc(-c2nccnc2-c2cncc3nnc(-c4ccc(-c5cnc(C)n5C)cc4)n23)cn1,XCMSLNRDKMLIDJ-UHFFFAOYSA-N,3,1,0.333,86,167,460.505,3.723,6,0.391,0.6,1.0,0.14559488725926942,0.06762730450277568,0.16580426290178876,0.1337039956137345,0.1281826125693921
EOS-3-34386,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)n1,SZWRZEIEWPZWSE-UHFFFAOYSA-N,3,1,0.279,86,812,423.4,2.392,6,0.448,0.57,1.0,0.20402131450894387,0.1721609211157563,0.064937290110342,0.05889760811459119,0.12500428346240833
EOS-3-34387,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccccn6)c5)n34)cn2)n1,BUTSGVWGKGMYGC-UHFFFAOYSA-N,3,1,0.277,70,719,434.423,3.064,6,0.407,0.55,1.0,0.17308614899595642,0.13026009183743403,0.11804365704886574,0.12295250496881639,0.13608560071276815
EOS-3-34388,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(C)nc5)n34)c(C#N)n2)cn1,FRFVWWZIKOXGMJ-UHFFFAOYSA-N,3,1,0.451,65,986,452.482,2.661,5,0.365,0.62,1.0,0.3852032074566514,0.2686844630251525,0.12084504146391611,0.07418100198752656,0.2122284284833116
EOS-3-34389,Cn1cc(-c2cnc(COc3cncc4nnc(-c5nccnc5-c5ccncc5)n34)nc2)cn1,CFQGWBDCYUYWSX-UHFFFAOYSA-N,3,1,0.333,80,855,463.465,2.413,6,0.362,0.62,1.0,0.25840415324515115,0.0914947570420122,0.11204680967719827,0.08664587759577821,0.13714789939003497
EOS-3-34390,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ncn2)cn1,JZQRDZWBABGSCM-UHFFFAOYSA-N,3,1,0.379,44,971,416.832,3.792,5,0.435,0.7,0.997,0.5300527722568706,0.49997429922555,0.3922195188815023,0.432663970940991,0.4637276403262285
EOS-3-34391,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)nn2C)nn1,BMHHCZQKRHOVBD-UHFFFAOYSA-N,3,1,0.371,95,956,420.383,3.361,5,0.44,0.65,0.971,0.34371359056952916,0.41035569871838806,0.4680025358097457,0.46730861489959563,0.4223451099993146
EOS-3-34393,Cc1cc(Cc2cncc3nnc(-c4ccnc(-c5cnc(C)nc5C)c4)n23)cc(CF)n1,JUZVZKXWDSUIOU-UHFFFAOYSA-N,3,1,0.314,85,567,440.486,4.024,5,0.407,0.61,1.0,0.22608114591186348,0.1302686587622507,0.29937975464327327,0.20485230621616066,0.21514546638338702
EOS-3-34394,FCc1cncc(-c2cccc(-c3nnc4cncc(COc5ccc(F)cc5)n34)c2)c1,XIEQKWVUYCTYND-UHFFFAOYSA-N,3,1,0.439,14,18,429.43,5.041,5,0.378,0.79,1.0,0.6037797272291139,0.6456548557329861,0.9208330477691727,0.9106041395380714,0.770217942567336
EOS-3-34395,Cc1ccc(F)c(-c2ccc(COc3cncc4nnc(-c5ccc(CO)cn5)n34)c(C)n2)n1,KYAIXQWNHKCOAB-UHFFFAOYSA-N,3,1,0.404,44,348,457.469,3.471,5,0.413,0.6,0.997,0.752552943595367,0.5889846480707285,0.47814577479268044,0.3595367007059146,0.5448050167911727
EOS-3-34396,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)cn2)cn1,ARCFXVLYCWGGAZ-UHFFFAOYSA-N,3,1,0.444,55,283,448.849,3.718,5,0.375,0.66,1.0,0.8297580700431773,0.8424628195462956,0.6172812007401823,0.5861661298060448,0.718917055033925
EOS-3-34397,Fc1ccc(-c2nnc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)s2)nc1,JJQLNLLSFBNNCT-UHFFFAOYSA-N,3,1,0.612,13,996,457.397,4.238,5,0.373,0.7,1.0,0.8065074360907408,0.9058580631896375,0.7042783222534439,0.6862706462888082,0.7757286169556575
EOS-3-34398,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)nn(C)c1=O,PYLHMQOLFGYTJG-UHFFFAOYSA-N,3,1,0.482,31,569,443.471,1.61,5,0.388,0.6,0.967,0.03781440614077171,0.0005911178123500789,0.047777739702556374,0.034507573161537936,0.030172709204304024
EOS-3-34399,Cc1cccc(COc2cncc3nnc(-c4cc(-c5cc(C#N)ccn5)ncn4)n23)n1,FPIWLXDWSFJEOJ-UHFFFAOYSA-N,3,1,0.384,44,238,421.424,2.797,5,0.421,0.64,0.878,0.4135939962990885,0.3289270783359605,0.35114111438558016,0.29034164896168874,0.34600095949557946
EOS-3-34400,Cc1cnc(-c2cncc(-c3nnc4cncc(COCc5ccc(Cl)nc5)n34)c2)cn1,ZREGWGTVBXGBIW-UHFFFAOYSA-N,3,1,0.42,85,858,444.886,3.717,5,0.365,0.65,1.0,0.3367829483928449,0.31986327187992597,0.5130645603454184,0.48242067027619767,0.41303286272359674
EOS-3-34401,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5c(C)ncn5C)c4)n23)n1,SLTLNOOVXSYLHR-UHFFFAOYSA-N,3,1,0.505,26,125,444.474,3.359,5,0.396,0.62,0.987,0.7286769241313138,0.5546312795558906,0.2776540333082037,0.21078061818929478,0.44293571379617575
EOS-3-34402,CCn1cncc1-c1ccc(F)c(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1,UQACYMIVNLOJKB-UHFFFAOYSA-N,3,1,0.484,26,911,449.877,4.441,5,0.381,0.69,1.0,0.542757521759989,0.5982112260982798,0.7222774312932629,0.7247104379411966,0.646989154273182
EOS-3-34403,Fc1cccc(-c2ccncc2-c2nnc3cncc(-c4cnn(-c5ccc(F)nc5)n4)n23)c1,XHFCVTSNAYWVEX-UHFFFAOYSA-N,3,1,0.333,10,705,453.416,3.774,6,0.375,0.61,0.998,0.026643136179836886,0.2228599821807964,0.617289767664999,0.6974847508738263,0.39106940922486466
EOS-3-34404,Cc1nc(-c2ccnc(F)c2)ccc1-c1nnc2cncc(OCCc3cnc(F)cn3)n12,KDBFYWYLYBQIKC-UHFFFAOYSA-N,3,1,0.457,20,278,446.421,3.246,5,0.366,0.63,0.999,0.7581128778013844,0.732283599479131,0.42485950243300663,0.3947724624768693,0.5775071105475978
EOS-3-34405,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc6ccccn56)n4)n23)cc1,UWVXLYWRXCIGDL-UHFFFAOYSA-N,3,1,0.321,38,465,470.5,3.964,7,0.383,0.65,1.0,0.12096497841134946,0.04512199300938935,0.24122746898773217,0.2870947844561716,0.17360230621616063
EOS-3-34406,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nc(-c4cccnc4)ncc3Cl)n12,ZHQNPINRXUEDAT-UHFFFAOYSA-N,3,1,0.517,73,10,468.279,4.668,5,0.37,0.78,1.0,0.8418203001850456,0.9406997464190254,0.7275203892810637,0.8223819477760264,0.8331055959152902
EOS-3-34407,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,QYRBPVBTBJCRRD-UHFFFAOYSA-N,3,1,0.474,87,858,448.849,3.452,5,0.389,0.58,0.999,0.7581214447262011,0.8012987458022068,0.5435199780686725,0.5801350147351106,0.6707687958330478
EOS-3-34408,Cc1cnc(COc2cncc3nnc(-c4cc(Cl)c(-c5cscn5)cn4)n23)cn1,YGKUBLUKOWXDJQ-UHFFFAOYSA-N,3,1,0.438,7,535,436.888,3.641,5,0.411,0.63,1.0,0.4647385374545953,0.5088410664108012,0.2553714618600507,0.27230827222260295,0.3753148344870125
EOS-3-34409,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc(Cl)n2)cn1,BBEULSZQTJVGLY-UHFFFAOYSA-N,3,1,0.436,92,94,468.308,3.746,5,0.347,0.72,1.0,0.2664227948735522,0.38201631142485093,0.3396614351312453,0.37571105475978345,0.340952899047358
EOS-3-34410,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnnn5C)ncc4F)n23)cc1,ASCHRRQEQAXXJQ-UHFFFAOYSA-N,3,1,0.536,89,134,416.42,3.008,5,0.435,0.67,1.0,0.5864317044753615,0.4999828661503667,0.46091768898636143,0.41040710026728805,0.4894348399698444
EOS-3-34411,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,QERZNDPLZJLTPC-UHFFFAOYSA-N,3,1,0.484,2,822,414.404,2.799,5,0.418,0.72,1.0,0.6860307723939415,0.6456634226578027,0.37767288054280035,0.3791549585360839,0.5221305085326572
EOS-3-34412,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)[nH]n5)n34)c2)cn1,KRCWBYWLQUGQEH-UHFFFAOYSA-N,3,1,0.386,18,157,436.838,3.385,5,0.406,0.62,1.0,0.572262010828593,0.5936964567198958,0.5168768418888355,0.5767682132821602,0.5649008806798711
EOS-3-34414,CCCCOc1c(-c2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)nnn1CC,SFPIJSLWNZECEO-UHFFFAOYSA-N,3,1,0.343,78,792,427.896,3.394,4,0.43,0.67,0.972,0.23140977314783084,0.28396785689808784,0.03592968268110479,0.09241141799739566,0.1609296826811048
EOS-3-34415,Cc1csc(COc2cncc3nnc(-c4cc(-c5cc(F)cc(C#N)c5)ncn4)n23)n1,GTEAODCAYFIZKU-UHFFFAOYSA-N,3,1,0.436,44,238,444.455,3.603,5,0.404,0.66,0.999,0.4771091768898636,0.4726201082859297,0.45741381673634435,0.44849564800219316,0.4639096874785827
EOS-3-34416,FC(F)c1ncc(COc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)s1,WFVUPDSBIQWSPK-UHFFFAOYSA-N,3,1,0.483,92,875,428.384,3.209,5,0.402,0.67,1.0,0.5094321842231513,0.46823384277979574,0.31396066068124184,0.2455023644712494,0.3842822630388596
EOS-3-34417,Cn1nccc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4cscn4)cc3F)n12,JISCYYIQQHQBJB-UHFFFAOYSA-N,3,1,0.276,64,495,455.482,3.911,6,0.397,0.62,1.0,0.10290590089781372,0.20292474813241038,0.3029949969159071,0.36306627373038175,0.24297297991912825
EOS-3-34418,Cc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)cn3)n12,USQVRBRPILDFGC-UHFFFAOYSA-N,3,1,0.552,27,786,463.423,4.55,5,0.378,0.74,0.993,0.6583596052361045,0.7184051812761291,0.9123003906517716,0.812281543417175,0.775336680145295
EOS-3-34419,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1,HVXVQXQGGZKEBA-UHFFFAOYSA-N,3,1,0.523,2,422,418.848,3.214,5,0.432,0.64,1.0,0.4253221163731067,0.4595555479405113,0.5059026111986841,0.5010194640531834,0.4729499348913714
EOS-3-34420,Cc1ccc(-c2nnc3cncc(CCc4nccc(-c5cnc(F)cn5)c4F)n23)cc1,YTIVUNPRTHBQSL-UHFFFAOYSA-N,3,1,0.404,14,886,429.434,4.015,5,0.42,0.6,1.0,0.47451339867041326,0.5686810362552258,0.589387293537112,0.6042680419436639,0.5592124426016037
EOS-3-34421,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnnc(F)c5)c4)n23)cc1,GSOSJGQWFDIUCB-UHFFFAOYSA-N,3,1,0.325,9,642,449.453,3.85,6,0.403,0.58,1.0,0.22052121170584607,0.2580357754780344,0.5737012541977932,0.5924456856966623,0.41117598176958403
EOS-3-34422,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4scnc4-c4ccccn4)n23)c1,KEUDOXJAGPOCMY-UHFFFAOYSA-N,3,1,0.295,32,935,437.492,3.772,6,0.414,0.61,1.0,0.06342951134260846,0.06402062915495854,0.115045233363032,0.1632170516071551,0.10142810636693853
EOS-3-34423,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4scnc4-c4ccccn4)n23)cn1,QBMAWBWIIAZRST-UHFFFAOYSA-N,3,1,0.298,70,935,437.492,3.772,6,0.414,0.61,1.0,0.07691385100404359,0.0885391679802618,0.13824446576656843,0.15822253443903778,0.1154800047974779
EOS-3-34424,Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5cnc(CO)cn5)c4)n23)s1,OJLSQKNGBIUFBM-UHFFFAOYSA-N,3,1,0.489,7,99,432.469,2.48,5,0.431,0.6,1.0,0.3643427455280652,0.3386419710780618,0.09409910218627922,0.065065793982592,0.2155374031937496
EOS-3-34425,Cc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5F)c4)n23)c1,ZFQDZGJSLJVUFX-UHFFFAOYSA-N,3,1,0.528,11,275,426.455,4.317,5,0.402,0.69,1.0,0.8464807072853129,0.754823178671784,0.6499297512165033,0.6310396819957508,0.7205683297923378
EOS-3-34426,Cc1ccnc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ccnc(F)c5)c4)n23)n1,JLSSPFLFWQCFMT-UHFFFAOYSA-N,3,1,0.429,75,278,462.876,3.761,5,0.351,0.68,1.0,0.7757350421492701,0.7631502295935851,0.40313378109793707,0.42951134260845725,0.5928825988623124
EOS-3-34427,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)[nH]2)nc1,GYMKQMVNAOBOSI-UHFFFAOYSA-N,3,1,0.296,94,407,419.412,2.49,6,0.457,0.62,0.054,0.051350147351106844,0.06402919607977521,0.1382530326913851,0.17669282434377356,0.10758130011651018
EOS-3-34428,c1cncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)[nH]2)c1,CQBBPFCPPDOIAR-UHFFFAOYSA-N,3,1,0.305,86,790,419.412,2.49,6,0.457,0.62,0.84,0.0671732574874923,0.08854773490507847,0.14704269755328628,0.17670139126859022,0.1198662703036118
EOS-3-34429,Cc1ncn(-c2nc(CCOc3cncc4nnc(-c5ccc(C(N)=O)c(C)c5)n34)ccc2F)n1,XETXEOIFQLUSBA-UHFFFAOYSA-N,3,1,0.515,15,636,473.472,2.243,5,0.38,0.67,1.0,0.37376636282639986,0.1640394763895552,0.10156089370159688,0.06181892947707491,0.1752964155986567
EOS-3-34430,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)ns1,MZSBDRCNHUEVCB-UHFFFAOYSA-N,3,1,0.558,84,131,451.462,3.913,5,0.387,0.67,1.0,0.52488691659242,0.5787814406140772,0.5024330066479337,0.5111370022616681,0.5293095915290247
EOS-3-34431,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncn(C)n5)cc4)n23)c1F,NLIVMYHKLWSIIJ-UHFFFAOYSA-N,3,1,0.554,15,320,430.447,3.051,5,0.408,0.57,1.0,0.6648362003975054,0.6261565348502501,0.3585172366527311,0.27231683914741966,0.4804567027619766
EOS-3-34432,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2F)cnc1F,UMDHLCOIQPFKGG-UHFFFAOYSA-N,3,1,0.516,65,552,446.421,3.246,5,0.366,0.62,1.0,0.8143461722979919,0.7045010622986773,0.49198135837159895,0.43267253786580767,0.610875282708519
EOS-3-34433,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)o1,KLLQPQVJRGFAHA-UHFFFAOYSA-N,3,1,0.511,59,439,438.369,4.146,5,0.381,0.66,1.0,0.8576519772462476,0.7275717908299637,0.8892896305942019,0.8405438283873621,0.8287643067644438
EOS-3-34434,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)cn2)n1,SWUQZZVCYXHSTL-UHFFFAOYSA-N,3,1,0.31,76,191,437.492,4.07,6,0.442,0.63,0.981,0.07315297100952642,0.17658145432115688,0.21286238091974505,0.20171681173326023,0.16607840449592215
EOS-3-34435,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)s1,DEPXXIPPSHHIAB-UHFFFAOYSA-N,3,1,0.309,39,176,455.482,3.911,6,0.397,0.64,0.987,0.1348947981632513,0.2327290795695977,0.18848091289150845,0.28133781097937083,0.20936065040093207
EOS-3-34436,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5C)cc4Cl)n23)n1,QNTWUZYVXOPITN-UHFFFAOYSA-N,3,1,0.512,4,677,451.943,4.498,5,0.391,0.73,1.0,0.3192978548420259,0.5225224453430196,0.30300356384072374,0.2785021588650538,0.3558315057227058
EOS-3-34437,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)c(Cl)cn5)n34)c2)cn1,BTCXKNQYIQTKDZ-UHFFFAOYSA-N,3,1,0.506,37,545,466.332,4.515,5,0.366,0.74,1.0,0.545438969227606,0.5733671441299432,0.7352820231649647,0.7641011582482352,0.6545473236926873
EOS-3-34438,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccsc5)cnn4)n23)c1,LMOJUJJNVINMEO-UHFFFAOYSA-N,3,1,0.553,19,207,418.457,4.07,5,0.414,0.73,1.0,0.5696148310602426,0.517844904393119,0.5990079501062299,0.6428192036186691,0.5823217222945651
EOS-3-34439,Cc1csc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)n1,PGBYYMXCMKCRQS-UHFFFAOYSA-N,3,1,0.402,27,706,438.423,4.138,5,0.403,0.67,0.897,0.6231923788636831,0.6456719895826194,0.41347405935165515,0.3212511137002262,0.500897385374546
EOS-3-34440,Cc1cc(Cc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)n(C)n4)n23)nn1C,UTPBUZMZDHEACR-UHFFFAOYSA-N,3,1,0.333,95,835,418.892,3.478,5,0.446,0.66,0.333,0.10291446782263039,0.20759372215749436,0.2161777808237955,0.28134637790418754,0.20200808717702695
EOS-3-34441,Cc1cnc(F)c(COc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)n1,YPZWGQOJGLCAKB-UHFFFAOYSA-N,3,1,0.467,92,506,416.42,3.008,5,0.435,0.68,1.0,0.3898207799328353,0.372395654855733,0.34717462819546296,0.2813549448290042,0.3476865019532589
EOS-3-34442,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnc2F)c(F)c1,AAWFWFJVVYVAKB-UHFFFAOYSA-N,3,1,0.527,87,307,449.396,3.682,5,0.365,0.65,1.0,0.8464892742101295,0.8388989788225618,0.7091186347748613,0.7115859091220615,0.7765231992324035
EOS-3-34443,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,MNVLELJKZUUKJX-UHFFFAOYSA-N,3,1,0.571,37,265,455.425,3.744,5,0.385,0.65,1.0,0.6800938934959907,0.7275803577547804,0.7885854293742718,0.797015283393873,0.748318741004729
EOS-3-34444,CCn1ccnc1-c1cc(Cl)cc(-c2nnc3cncc(OCCc4ccccn4)n23)c1,YZJHGLGLPOVZTM-UHFFFAOYSA-N,3,1,0.573,15,796,445.914,4.345,5,0.37,0.67,1.0,0.527568364060037,0.5178534713179357,0.38863854430813516,0.39783942156123636,0.4579749503118361
EOS-3-34445,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)s5)n34)on2)nn1,XHBJALJTNVIRQP-UHFFFAOYSA-N,3,1,0.265,70,813,427.453,3.365,6,0.421,0.62,0.999,0.021194571996436158,0.01637996024946885,0.1261908025495168,0.15541258309917072,0.07979447947364814
EOS-3-34446,COc1nc(-c2cn(C)nc2C)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,KZLXXYVQFCUETO-UHFFFAOYSA-N,3,1,0.462,20,658,443.471,2.315,5,0.373,0.6,0.939,0.2797272291138373,0.07828455897471044,0.05540230278939072,0.020680556507436092,0.10852366184634364
EOS-3-34447,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6c[nH]nn6)n5)n34)cc2)nc1,ODNOAULSPQNBIF-UHFFFAOYSA-N,3,1,0.505,81,609,447.462,3.612,6,0.411,0.59,1.0,0.38982934685765197,0.34847680076759646,0.37375779590158315,0.35310294016859706,0.36629172092385714
EOS-3-34448,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(Cl)c1,FRRACBXNOQYVTM-UHFFFAOYSA-N,3,1,0.5,37,639,467.32,3.91,5,0.35,0.71,1.0,0.6710472208895895,0.694554862586526,0.4210900555136728,0.517922006716469,0.5761535364265643
EOS-3-34449,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)nn1C,YIOJYEPNCJEAEQ-UHFFFAOYSA-N,3,1,0.524,16,256,422.449,3.07,5,0.429,0.62,1.0,0.547966212048523,0.5787900075388939,0.12913782468645055,0.1272359673771503,0.3457825029127545
EOS-3-34451,Cc1cc(-c2nc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccc2F)ccn1,MJOPBYYJCBWVMG-UHFFFAOYSA-N,3,1,0.586,19,159,460.9,4.971,5,0.356,0.77,1.0,0.8039030909464738,0.8584058666301144,0.7567764375299842,0.7810208347611541,0.8000265574669316
EOS-3-34452,Fc1cc(Cl)nnc1COc1cncc2nnc(-c3ccc(Cl)c(-c4ccccn4)c3)n12,LOJOTFZMWYGHIV-UHFFFAOYSA-N,3,1,0.506,34,799,468.279,4.668,5,0.37,0.75,1.0,0.7898276334726887,0.9234373929134397,0.7638869851278185,0.8478000137070797,0.8312380063052567
EOS-3-34453,Cc1ccc(-c2nnc3cncc(OCc4cnc(-n5ccnc5)cc4Cl)n23)cn1,PKSGRKJVGWWSPY-UHFFFAOYSA-N,3,1,0.483,55,85,418.848,3.308,5,0.432,0.69,1.0,0.41360256322390515,0.49999143307518334,0.5130731272702351,0.47037557398396274,0.4742606743883216
EOS-3-34454,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cs1,PJBLEIUKXJJGRM-UHFFFAOYSA-N,3,1,0.59,4,92,434.912,4.851,5,0.393,0.75,1.0,0.4435610993077925,0.5787985744637105,0.5670361866904257,0.5767767802069769,0.5415431601672264
EOS-3-34455,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1F,CVDNJPQBHYIJEA-UHFFFAOYSA-N,3,1,0.494,37,353,468.855,3.535,5,0.376,0.64,1.0,0.7842848331163046,0.8169505174422589,0.5503649509971901,0.6042766088684806,0.6889692276060585
EOS-3-34456,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)nc1)N1CCCCC1,VJVIFJVYMDDCLU-UHFFFAOYSA-N,3,1,0.32,52,821,479.519,4.681,6,0.372,0.83,0.992,0.03645226509492153,0.07490062367212666,0.01614865327941882,0.14282777054348572,0.06758232814748819
EOS-3-34457,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nn4)n23)c(Cl)n1,TXMNVSMAOWPKDF-UHFFFAOYSA-N,3,1,0.407,54,411,452.812,3.549,5,0.373,0.61,0.822,0.7375351243917483,0.7137619080254952,0.6022291138372969,0.6744225892673565,0.6819871838804742
EOS-3-34458,Cc1cnc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5cc(C)nn5C)cn4)n23)nc1,OOSOXUPWGATOQJ-UHFFFAOYSA-N,3,1,0.236,86,489,450.47,2.241,6,0.397,0.55,0.951,0.0035295730244671373,0.008104310876567747,0.034618943184154614,0.023876019464053183,0.01753221163731067
EOS-3-34459,c1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6csnn6)c5)n34)cn2)no1,BEMIFYHPMNGMHY-UHFFFAOYSA-N,3,1,0.286,86,719,427.413,2.212,6,0.408,0.6,0.991,0.10013878418203002,0.12706462888081693,0.06107360701802481,0.08310773764649441,0.09284618943184156
EOS-3-34460,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)s4)n23)cn1,KGOPNPBIGQVSDE-UHFFFAOYSA-N,3,1,0.5,2,435,454.422,3.28,5,0.365,0.69,1.0,0.5118823247207183,0.6405832362415187,0.5334452744842711,0.4420618874648756,0.531993180727846
EOS-3-34461,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccc2F)s1,KSYGHMIVYXUYSK-UHFFFAOYSA-N,3,1,0.539,37,563,467.917,4.427,5,0.365,0.74,1.0,0.8791977931601672,0.9034336234665205,0.4210986224384895,0.48848605304639847,0.6730540230278939
EOS-3-34462,COCc1ncc(-c2cnnc(-c3nnc4cncc(OCc5cccs5)n34)c2)cn1,FZDSXPZEMPGSGE-UHFFFAOYSA-N,3,1,0.472,92,182,432.469,2.825,5,0.383,0.6,1.0,0.2962613940100062,0.21248543622781166,0.13826159961620177,0.10669248166678089,0.18842522788020014
EOS-3-34463,Fc1ccncc1CCOc1cncc2nnc(-c3cccc(-c4nnc(Cl)s4)c3)n12,YNRNKWURJPTWRY-UHFFFAOYSA-N,3,1,0.545,72,628,453.89,4.119,5,0.382,0.67,1.0,0.7842934000411212,0.7968610787471729,0.48880302926461516,0.5413696799396889,0.6528317969981495
EOS-3-34464,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)nn1,IZJWFJAJIJVCQG-UHFFFAOYSA-N,3,1,0.462,2,422,450.384,3.343,5,0.376,0.63,1.0,0.737543691316565,0.7184137482009458,0.8034147762319238,0.7588496333356178,0.7545554622712631
EOS-3-34465,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cc4F)n23)cc1,WZMWIUFSWITDGW-UHFFFAOYSA-N,3,1,0.333,64,885,464.439,4.651,6,0.375,0.72,1.0,0.33439277636899456,0.4416935096977589,0.6882067712973751,0.7562709889658008,0.5551410115824824
EOS-3-34466,Clc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,MIGRPAJXXFANRF-UHFFFAOYSA-N,3,1,0.439,87,838,466.292,3.362,5,0.371,0.62,0.998,0.5834846823384278,0.6945634295113426,0.3286786375162772,0.4262901788773902,0.5082542320608594
EOS-3-34467,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(OC)nc5)n34)cn2)cn1,RCZBLYUTGSRCKP-UHFFFAOYSA-N,3,1,0.407,92,860,414.429,3.266,5,0.417,0.77,1.0,0.23977965869371531,0.18924336920019189,0.24844081968336645,0.12724453430196697,0.20117709546981016
EOS-3-34468,Cc1cnnc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)nc(F)c5)n34)c2)n1,RRIIXCAGEAKZIV-UHFFFAOYSA-N,3,1,0.407,46,565,433.382,2.599,5,0.386,0.58,1.0,0.6433160852580357,0.47712631073949696,0.3812538551161675,0.3499931464601467,0.4629223493934617
EOS-3-34470,Cn1nnnc1-c1cc(F)nc(COc2cncc3nnc(-c4ccc(F)cn4)n23)c1,ZYGLEKNKRAOPKH-UHFFFAOYSA-N,3,1,0.411,36,728,422.359,1.629,5,0.389,0.61,1.0,0.4046758275649373,0.4103642656432047,0.16275443766705502,0.20767939140566102,0.29636848057021453
EOS-3-34471,Clc1cnc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)cn1,SNVVTTYUDQJEPD-UHFFFAOYSA-N,3,1,0.411,7,720,417.82,2.666,5,0.425,0.62,1.0,0.4158470975258721,0.47262867521074636,0.2661572202042355,0.2871033513809883,0.36043408608046057
EOS-3-34472,COCc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)cn1,YHIHHJDAPXFRLW-UHFFFAOYSA-N,3,1,0.379,53,466,442.443,1.596,5,0.346,0.6,1.0,0.3294924953738606,0.11646734288259886,0.0847868549105613,0.07017168117332602,0.1502295935850867
EOS-3-34473,CCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)s1,SAIBUNHIOJSWJV-UHFFFAOYSA-N,3,1,0.505,58,579,448.487,3.423,5,0.373,0.66,1.0,0.5696233979850592,0.69960934822836,0.05541086971420739,0.07619422931944349,0.35020946131176756
EOS-3-34474,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5ccc(C#N)cn5)c4)n23)ccc1Cl,XGSQJOKHUWYKIF-UHFFFAOYSA-N,3,1,0.517,97,214,453.893,4.661,5,0.381,0.74,1.0,0.9070317318895209,0.9161298060448222,0.879848879446234,0.8631091083544651,0.8915298814337606
EOS-3-34475,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5F)n34)n2)o1,MHOYVNCYMGIXOA-UHFFFAOYSA-N,3,1,0.436,73,212,456.8,3.45,5,0.366,0.66,1.0,0.6738571722294565,0.7677506682201357,0.4919899252964156,0.5377201699677884,0.617829483928449
EOS-3-34476,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)o4)n23)cnn1,MUXBMASKZACJNC-UHFFFAOYSA-N,3,1,0.24,99,286,423.4,2.094,6,0.414,0.6,0.994,0.059968473716674665,0.008112877801384415,0.04447947364813926,0.053114933863340416,0.041418939757384685
EOS-3-34477,Fc1ncccc1-c1cnc(-c2nnc3cncc(-c4cnn(-c5ccccn5)n4)n23)cn1,BBUHJKRFBAQCME-UHFFFAOYSA-N,3,1,0.261,86,72,437.402,2.425,6,0.382,0.57,0.816,0.00555136728120074,0.09458741690082928,0.13198204372558425,0.17969981495442397,0.10295516071550956
EOS-3-34478,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)cc1,PJQXFURXNQYNFV-UHFFFAOYSA-N,3,1,0.447,19,207,465.851,4.196,5,0.371,0.67,1.0,0.7286854910561305,0.784661777808238,0.7686244945514358,0.8424199849222124,0.7810979370845041
EOS-3-34479,Cc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)cn2)cn1,OODMZDOQEMUXMC-UHFFFAOYSA-N,3,1,0.319,85,580,444.449,4.07,5,0.39,0.63,0.599,0.3144061407717086,0.29941402234253994,0.5862774998286615,0.5179305736412857,0.4295070591460489
EOS-3-34480,Cn1ccnc1-c1cc(CF)nc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,FDDPMBSTPQUASE-UHFFFAOYSA-N,3,1,0.573,84,73,447.449,3.817,5,0.377,0.61,1.0,0.5638064560345418,0.40106915221712014,0.5096035227194846,0.49461140429031597,0.4922726338153656
EOS-3-34481,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cn(C)cn5)n34)nc(C)n2)nc1,PTUARSSMAVTQFN-UHFFFAOYSA-N,3,1,0.415,31,330,427.472,2.615,5,0.407,0.61,1.0,0.3506785004454801,0.056121924473990815,0.0630182989514084,0.036495099719004866,0.12657845589747105
EOS-3-34482,Clc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5cccnn5)c4)n23)nc1,FZYQDYDOOAFZLV-UHFFFAOYSA-N,3,1,0.505,53,778,431.847,2.708,5,0.4,0.55,0.999,0.6433246521828524,0.679879720375574,0.22684360222054692,0.2903502158865054,0.4600995476663697
EOS-3-34483,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)n4)n23)on1,CRADARPSALLPPL-UHFFFAOYSA-N,3,1,0.477,46,775,422.355,2.797,5,0.394,0.7,1.0,0.7162548831471455,0.5502707148242068,0.26616578712905214,0.24551093139606606,0.44455057912411755
EOS-3-34484,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)nc1F,PHPCPFWBIVXUAD-UHFFFAOYSA-N,3,1,0.426,59,910,448.408,4.553,5,0.367,0.73,0.878,0.8464978411349462,0.7887910355698718,0.8760108971283668,0.8547563566582139,0.8415140326228496
EOS-3-34485,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)cn1,NZMJINBATYJRKT-UHFFFAOYSA-N,3,1,0.41,31,873,429.419,2.502,5,0.375,0.61,0.637,0.5194212185593859,0.455229250908094,0.19190768281817558,0.17970838187924063,0.33656663354122407
EOS-3-34486,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)cn1,UVSHIQIKXDOBAJ-UHFFFAOYSA-N,3,1,0.278,9,725,419.452,3.644,6,0.468,0.66,1.0,0.07316153793434309,0.08526660270029471,0.5130816941950518,0.4673171818244123,0.2847067541635254
EOS-3-34487,Fc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5ccnc(F)c5)c4)n23)c1,QERPKNLTWAHNOW-UHFFFAOYSA-N,3,1,0.675,88,222,447.42,4.892,5,0.347,0.78,1.0,0.9186399150161059,0.9216297717771229,0.9556061956000275,0.9560345418408608,0.9379776060585292
EOS-3-34488,COC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)n(C)n5)ccn4)n23)cc1,MMPJOPKWQGUSGD-UHFFFAOYSA-N,3,1,0.5,89,926,455.478,3.261,5,0.359,0.69,0.999,0.37130765540401617,0.16794599410595573,0.2920893016242889,0.1182920978685491,0.23740876225070248
EOS-3-34489,Cc1cc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)n(C)n1,SQDIUEALCPCYRV-UHFFFAOYSA-N,3,1,0.446,4,212,467.32,4.176,5,0.383,0.71,1.0,0.402645466383387,0.5788071413885272,0.5267288054280036,0.5510160372832568,0.5147993626207936
EOS-3-34490,Cc1cnc(-c2ncc(F)cc2-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)cn1,SZXAIRUDXSZJCS-UHFFFAOYSA-N,3,1,0.268,86,312,452.417,2.129,6,0.391,0.55,1.0,0.006056815845384141,0.10406243574806387,0.13199061065040094,0.15823110136385443,0.10008524090192585
EOS-3-34491,Cc1cn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)cn1,BPORWRUYTFZNEV-UHFFFAOYSA-N,3,1,0.295,30,220,429.487,5.014,6,0.394,0.77,1.0,0.05286649304365705,0.03493591940237133,0.6614179973956549,0.6514803646083202,0.3501751936125008
EOS-3-34492,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)nc4)n23)cc1F,NBVONBHFJGACCU-UHFFFAOYSA-N,3,1,0.321,42,596,464.468,3.728,6,0.379,0.64,1.0,0.25555136728120076,0.2892279487355219,0.2886368309231718,0.31521143170447535,0.28715689466109245
EOS-3-34493,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c(F)cn1,OWGLZTMMNDABGF-UHFFFAOYSA-N,3,1,0.4,46,915,438.814,2.143,5,0.406,0.54,1.0,0.506913508327051,0.5454047015283394,0.17563052566650675,0.2754694674799534,0.37585455075046265
EOS-3-34494,Fc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)s2)cn1,SVTOQYSQAJGZQK-UHFFFAOYSA-N,3,1,0.523,27,343,455.425,4.361,5,0.376,0.71,0.994,0.8373055308066616,0.8013073127270235,0.7501542046467,0.7195274484271126,0.7770736241518744
EOS-3-34495,Cc1nc(C)nc(OCc2cncc3nnc(-c4ccc(-c5ncccn5)c(N)c4)n23)n1,XTWKOKIVMCVYRS-UHFFFAOYSA-N,3,1,0.352,85,767,426.444,2.211,5,0.415,0.58,1.0,0.3462579672400795,0.16009012404907136,0.034627510108971284,0.014538071413885271,0.13887841820300187
EOS-3-34496,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cn2)n(C)n1,CXVIERFIWDTONW-UHFFFAOYSA-N,3,1,0.463,31,779,448.878,2.355,5,0.36,0.66,1.0,0.4745219655952299,0.5502792817490234,0.03330820368720444,0.034516140086354605,0.2731563977794531
EOS-3-34497,CCn1nc(-c2cccc(C)c2)nc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,NBUAGISEOBFAJW-UHFFFAOYSA-N,3,1,0.325,98,882,462.521,3.841,6,0.383,0.65,1.0,0.06523713247892536,0.06763587142759235,0.057089986978274276,0.06670207662257556,0.06416626687684189
EOS-3-34498,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)cnc1F,UKSFHHGJWFPBMH-UHFFFAOYSA-N,3,1,0.432,97,560,416.391,4.106,5,0.402,0.79,1.0,0.7926975532862723,0.6027345624014804,0.8386248372284285,0.832473785210061,0.7666326845315605
EOS-3-34499,c1cncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnn6)nn5)n34)cn2)c1,NOHNNKUAJMABBS-UHFFFAOYSA-N,3,1,0.306,70,899,419.412,2.286,6,0.423,0.63,1.0,0.004711808649167295,0.017981975190185732,0.1319991775752176,0.17400280995133988,0.08217394284147762
EOS-3-34500,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncs4)n23)c(F)c1,SCJNAFZZIGDTRM-UHFFFAOYSA-N,3,1,0.483,16,256,422.449,3.244,5,0.414,0.65,1.0,0.462142759235145,0.4954081282982661,0.16581282982660545,0.17401137687615653,0.3243437735590433
EOS-3-34501,Cc1ncc(F)cc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ncn1,UUYPAFNUKBCRKT-UHFFFAOYSA-N,3,1,0.371,13,971,451.824,4.676,5,0.392,0.69,0.994,0.6830323487081077,0.6701219930093893,0.8336817216092112,0.8478085806318963,0.7586611609896511
EOS-3-34502,Cn1ncc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)n1,DAQKUPPKUHPRIP-UHFFFAOYSA-N,3,1,0.375,85,357,411.429,1.671,5,0.465,0.69,0.998,0.09079226920704545,0.04144678226303886,0.14705126447810293,0.08311630457131108,0.09060165512987457
EOS-3-34503,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1F,RELOSADDFSMQIF-UHFFFAOYSA-N,3,1,0.542,4,353,440.891,4.625,5,0.398,0.69,1.0,0.7554999657323007,0.82476355287506,0.7143016242889453,0.7247190048660133,0.7548210369405798
EOS-3-34504,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)cc1F,LRDXHZSJMHHFMB-UHFFFAOYSA-N,3,1,0.506,73,353,453.84,4.097,5,0.398,0.62,1.0,0.787163319854705,0.8090603796861079,0.8096857651977246,0.8144661092454253,0.8050938934959908
EOS-3-34505,Cc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)cc(-c2ccnc(Cl)c2)n1,QNUSRKFFHQYTOA-UHFFFAOYSA-N,3,1,0.468,75,361,444.886,3.622,5,0.366,0.62,1.0,0.7983003221163731,0.7184223151257625,0.44676512918922623,0.43590226852169145,0.5998475087382633
EOS-3-34507,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccc(F)nc4)n23)s1,QMHUNNHSWUMVJR-UHFFFAOYSA-N,3,1,0.253,86,652,456.47,3.306,6,0.371,0.64,0.986,0.10014735110684668,0.18083921595504077,0.11805222397368241,0.16322561853197176,0.1405661023918854
EOS-3-34508,Cn1nccc1CCOc1cncc2nnc(-c3ccc(-c4cnncn4)cc3F)n12,AFCLAWHMLUPSLI-UHFFFAOYSA-N,3,1,0.494,37,460,417.408,2.137,5,0.413,0.67,1.0,0.5275769309848537,0.5133729696388184,0.29209786854910563,0.26669693646768555,0.3999361764101158
EOS-3-34509,CCn1cnc(-c2cc(-c3nnc4cncc(OCc5noc(-c6ncon6)n5)n34)ccn2)c1,UNKHDQZKJZNPGR-UHFFFAOYSA-N,3,1,0.374,80,48,457.414,2.082,6,0.344,0.65,0.999,0.3437221574943458,0.19832430950585977,0.014161126721951888,0.008541224042217806,0.14118720444109384
EOS-3-34510,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ncn2)nc1,KEEMBOFXHJQMDJ-UHFFFAOYSA-N,3,1,0.456,18,842,433.382,2.333,5,0.398,0.55,0.997,0.7256356658213967,0.5225310122678364,0.32506339524364336,0.3403039544924954,0.4783835069563429
EOS-3-34511,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)n1C,BXKTXYPVQVWTFU-UHFFFAOYSA-N,3,1,0.517,16,772,449.877,4.267,5,0.398,0.65,1.0,0.7225173051881296,0.7968696456719896,0.730013364402714,0.7057261325474607,0.7387816119525735
EOS-3-34512,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cnccn5)s4)n23)cc1,YCEPSNFHHUVZND-UHFFFAOYSA-N,3,1,0.351,94,515,452.478,4.573,6,0.387,0.71,0.996,0.2342197244876979,0.37735590432458366,0.5168854088136523,0.5861746967308615,0.4286589335891988
EOS-3-34513,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5ccc(F)nn5)n4)n23)c1,RWDODYXGJUZDSF-UHFFFAOYSA-N,3,1,0.308,10,356,456.38,1.959,6,0.387,0.54,0.324,0.011522513878418203,0.11356315536974848,0.10423377424439723,0.22225173051881297,0.11289279350284423
EOS-3-34514,Fc1cc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)cn1,DPCRJVCHQOZENH-UHFFFAOYSA-N,3,1,0.54,75,420,448.849,3.452,5,0.364,0.61,1.0,0.8829501062298677,0.8458467548488795,0.5059111781235008,0.5314234802275375,0.6915328798574464
EOS-3-34515,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4c[nH]nn4)cc3F)n12,HJKFNXZZVZJABG-UHFFFAOYSA-N,3,1,0.533,88,70,453.84,4.13,5,0.415,0.65,1.0,0.8957576588307861,0.9333664587759578,0.8917654718662189,0.910612706462888,0.9078755739839627
EOS-3-34516,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(Oc3ncccc3Cl)n12,NKWDMDNPXZIDNV-UHFFFAOYSA-N,3,1,0.415,13,417,418.819,4.833,5,0.416,0.79,1.0,0.8275820711397437,0.8835412240422178,0.8606247001576314,0.8796261394010007,0.8628435336851483
EOS-3-34517,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)nc(C)n1,BWWAXRAPDXZGJU-UHFFFAOYSA-N,3,1,0.538,65,981,458.913,3.93,5,0.377,0.65,1.0,0.7898362003975054,0.8458553217736962,0.32507196216846,0.30243814680282366,0.5658004077856212
EOS-3-34518,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cccc(F)n1,FHXHBUUFCCOCIQ-UHFFFAOYSA-N,3,1,0.495,11,777,460.444,4.157,5,0.337,0.72,1.0,0.9264529504489069,0.8458638886985128,0.7118257830169282,0.639932149955452,0.78101869302995
EOS-3-34519,COc1ccc(-c2ccnc(-c3nnc4cncc(-c5cn(-c6cnccn6)nn5)n34)c2)c(F)c1,UEIFZRHSGPFAKW-UHFFFAOYSA-N,3,1,0.343,86,872,466.44,3.039,6,0.377,0.63,0.999,0.003889383866767185,0.13027722568706737,0.40686896031800424,0.3978479884860531,0.23472088958947296
EOS-3-34520,Cn1ncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnnn6C)cn5)n34)nn2)n1,KSNZQLVZWXTWBR-UHFFFAOYSA-N,3,1,0.28,99,286,426.408,0.358,6,0.387,0.62,0.931,0.0001028030978000137,0.008121444726201082,0.011488246179151531,0.007881570831334384,0.006898516208621753
EOS-3-34521,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(Cl)s5)ccn4)n23)cc1,NDFGVTLVTLWBTQ-UHFFFAOYSA-N,3,1,0.573,34,32,456.318,4.591,5,0.382,0.72,1.0,0.7102152011513947,0.8889469536015352,0.5059197450483175,0.6196285381399493,0.681177609485299
EOS-3-34522,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1,PCAYDYWZYOYAFE-UHFFFAOYSA-N,3,1,0.411,46,511,450.384,3.343,5,0.376,0.61,0.995,0.6830409156329244,0.6125008566924817,0.7867606743883215,0.7407819888972654,0.7057711089027483
EOS-3-34523,FC(F)c1ncc(COc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)s1,CYQPJIBCTYXLOR-UHFFFAOYSA-N,3,1,0.556,27,300,437.435,4.221,5,0.393,0.67,1.0,0.5923857172229456,0.5640463299294085,0.49199849222123226,0.407108834212871,0.5138848433966143
EOS-3-34524,CCc1ncc(-c2cnnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cc1F,QMRRCTPMRCROLI-UHFFFAOYSA-N,3,1,0.375,51,924,463.864,3.367,5,0.373,0.63,1.0,0.6006785004454801,0.5454132684531561,0.2921064354739223,0.3241724350627099,0.440592659858817
EOS-3-34525,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)nc1Cl,RKRRCHSIGJOTAV-UHFFFAOYSA-N,3,1,0.471,97,19,439.863,4.076,5,0.381,0.75,1.0,0.82494345829621,0.8247721197998766,0.4643101912137619,0.5010280309780001,0.6537634500719621
EOS-3-34526,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5cccs5)ncn4)n23)cc1,FQQMNSAKTNUPMB-UHFFFAOYSA-N,3,1,0.301,64,365,434.488,4.434,6,0.405,0.68,1.0,0.10015591803166335,0.10089267356589679,0.2197416215475293,0.3024467137276403,0.18080923171818244
EOS-3-34527,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)n2)n(C)n1,UOWWRZOZOVZVLF-UHFFFAOYSA-N,3,1,0.523,58,271,448.437,3.19,5,0.368,0.63,1.0,0.5555822082105407,0.5546398464807073,0.43214138852717426,0.38224761839490096,0.48115276540333085
EOS-3-34528,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nccc(F)c5F)n4)n23)nc1,VYCYUQGUJWAYCD-UHFFFAOYSA-N,3,1,0.411,46,267,449.396,3.948,5,0.401,0.6,0.998,0.6317079021314509,0.6747995339592899,0.7042868891782605,0.6862792132136248,0.6742683846206565
EOS-3-34529,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)nc5)ncn4)n23)nc1,NKVWNJXATBPWEV-UHFFFAOYSA-N,3,1,0.394,33,238,421.424,2.797,5,0.421,0.6,1.0,0.46948461380302925,0.4463967514221095,0.38491193201288465,0.2963042286340895,0.39927438146802824
EOS-3-34530,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnsn6)cn5)n34)cc2)nc1,BWPHXEYJSJIMRJ-UHFFFAOYSA-N,3,1,0.309,38,193,449.503,4.137,6,0.395,0.65,1.0,0.05817798642999109,0.07490919059694331,0.29584161469398945,0.315219998629292,0.18603719758755397
EOS-3-34531,CCn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cc(C)nn6C)nc5)n34)nc2)cn1,HLILAVXNUQCKEV-UHFFFAOYSA-N,3,1,0.264,86,780,463.509,3.236,6,0.382,0.63,1.0,0.06524569940374203,0.03780583921595504,0.08215680899184429,0.05591631827839079,0.060281166472483036
EOS-3-34532,CCn1c(-c2ccccc2C)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)nc3)n12,UCPJFUMIMSGYNJ-UHFFFAOYSA-N,3,1,0.289,8,754,463.509,3.236,6,0.382,0.63,0.984,0.05818655335480776,0.06403776300459187,0.022222602974436297,0.02862209581248715,0.043267253786580764
EOS-3-34533,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(C(=O)NC4COC4)cc3)n12,UFKJKVPYBIMPJA-UHFFFAOYSA-N,3,1,0.333,0,862,484.516,2.488,6,0.414,0.85,1.0,0.3169333835926256,0.09758584058666302,0.1595932424097046,0.1252141731204167,0.17483165992735247
EOS-3-34534,Cc1ccc(-c2nnc3cncc(-c4c(-c5ccc(F)cn5)nc(C)n4C)n23)c(F)c1,VHRUPRDXPWZFQW-UHFFFAOYSA-N,3,1,0.333,22,140,417.423,4.149,5,0.441,0.73,0.763,0.29081282982660545,0.3820248783496676,0.49886916592419983,0.5510246042080734,0.43068286957713653
EOS-3-34535,CCn1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(C)n1,SJPLKOMPXIHVHC-UHFFFAOYSA-N,3,1,0.366,63,792,405.437,3.014,5,0.551,0.92,0.997,0.11018778699198135,0.21249400315262834,0.08714275923514496,0.12296107189363306,0.13319640531834692
EOS-3-34536,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)c5)cn4)n23)c(F)c1,WMICBMYIERUTDC-UHFFFAOYSA-N,3,1,0.511,73,877,451.824,4.154,5,0.396,0.64,1.0,0.8323024467137277,0.9197707490919059,0.8370570899869783,0.8679151531766157,0.8642613597423069
EOS-3-34537,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnco5)n34)nc2F)ncc1F,KGRQNUJAVDAKKD-UHFFFAOYSA-N,3,1,0.426,18,773,436.382,2.839,5,0.37,0.64,1.0,0.7786906312110204,0.5088496333356178,0.22685216914536357,0.21078918511411143,0.43129540470152833
EOS-3-34538,Cn1cncc1-c1nnc2cncc(OCc3cc(-c4nccc(F)c4F)ccn3)n12,UACSEBKABCAQKD-UHFFFAOYSA-N,3,1,0.451,46,128,420.383,2.839,5,0.431,0.6,0.842,0.34373072441916247,0.25804434240285107,0.560139812213008,0.5279110410527037,0.4224564800219313
EOS-3-34540,Cc1cc(-c2ncnn2C)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3F)n12,VWQKBBPBZQUWGI-UHFFFAOYSA-N,3,1,0.461,16,564,450.865,3.662,5,0.403,0.59,1.0,0.5722705777534096,0.5686896031800425,0.6022376807621136,0.5801435816599273,0.5808353608388732
EOS-3-34541,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5c(F)cccc5Cl)nn4)n23)cc1,RFZBPRLJOMQHBH-UHFFFAOYSA-N,3,1,0.317,3,115,471.887,4.232,6,0.382,0.7,1.0,0.04374271811390583,0.217428551847029,0.5737098211226098,0.6657014598039888,0.37514563772188336
EOS-3-34542,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4cnnc(-c5cnccn5)c4)n23)c1,LMNYAYOKCOGVBJ-UHFFFAOYSA-N,3,1,0.337,94,596,448.425,3.301,6,0.4,0.55,0.975,0.22052977863066273,0.31460318004249194,0.42828627235967376,0.49146734288259886,0.3637216434788568
EOS-3-34543,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nnn(-c5ncccn5)n4)n23)nc1,WMDTXEOQKAZWIF-UHFFFAOYSA-N,3,1,0.388,33,760,430.392,-0.109,5,0.382,0.6,1.0,0.1295747378521006,0.06404632992940854,0.003409636077033788,0.00044548009046672607,0.04936904598725241
EOS-3-34544,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)cc5)n34)cn2)cc1,AQFMUXVDGJFWLD-UHFFFAOYSA-N,3,1,0.333,69,220,427.471,4.977,6,0.395,0.77,1.0,0.12652491261736687,0.12340655198409979,0.6719124802960729,0.7086988554588445,0.407635700089096
EOS-3-34545,CCn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,YMEFFXQHNQPJMS-UHFFFAOYSA-N,3,1,0.318,8,882,467.472,3.066,6,0.355,0.65,1.0,0.1295833047769173,0.22286854910561305,0.057098553903090946,0.09039819066547872,0.12498714961277499
EOS-3-34546,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)[nH]2)c1,MBYWWDFULGKIDH-UHFFFAOYSA-N,3,1,0.366,3,787,440.467,4.506,6,0.433,0.65,1.0,0.15411897745185388,0.36771811390583237,0.5470495510931396,0.637096497841135,0.42649578507299024
EOS-3-34547,O=C(O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5cncnc5)c4)n23)cn1,NCWGCWKAUOKIKC-UHFFFAOYSA-N,3,1,0.34,85,290,410.397,2.327,5,0.463,0.76,0.98,0.18185011308340757,0.06764443835240902,0.22686073607018026,0.15017819203618668,0.15663336988554588
EOS-3-34548,Cc1nc(COc2cncc3nnc(-c4ccc(-c5nccn5C)cn4)n23)ccc1F,UCOWZBVALKURSN-UHFFFAOYSA-N,3,1,0.419,7,128,416.42,3.008,5,0.435,0.69,0.999,0.47192618737577957,0.4552378178329107,0.31396922760605855,0.239942430265232,0.3702689157699952
EOS-3-34550,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccn(C)n6)nn5)n34)cn2)n1,MNYREIGIXNFYIP-UHFFFAOYSA-N,3,1,0.368,99,816,468.441,1.709,6,0.348,0.7,1.0,0.3783839353025838,0.23783496676033172,0.016157220204235486,0.008549790967034473,0.16023147830854637
EOS-3-34551,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)ccc4F)n23)cc1,ITMKMQVVEFOMCB-UHFFFAOYSA-N,3,1,0.543,89,250,472.484,3.007,5,0.374,0.69,1.0,0.43896066068124184,0.3335960523610445,0.3849204989377013,0.23398841751764787,0.3478664073744089
EOS-3-34552,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)cc1,JBZMDYIFTSKAOD-UHFFFAOYSA-N,3,1,0.406,69,553,417.432,4.57,6,0.415,0.79,1.0,0.1677660886848057,0.13369542868891782,0.5737183880474265,0.5892759235144952,0.36611395723391127
EOS-3-34553,Cc1cnnc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)cnn4)n23)c1,UIAYHIPCRWMIOU-UHFFFAOYSA-N,3,1,0.394,53,65,416.38,1.855,5,0.418,0.67,1.0,0.45538345555479404,0.4552463847577274,0.1042423411692139,0.10670104859159756,0.28039330751833325
EOS-3-34554,CCc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4OC)n23)nn1,SJXMZCPZKRGNOP-UHFFFAOYSA-N,3,1,0.43,92,587,441.455,2.583,5,0.372,0.6,1.0,0.3064731683914742,0.1679545610307724,0.041532451511205534,0.016979644986635598,0.13323495648002193
EOS-3-34555,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)c1F,SMEZRGCZLFUZIL-UHFFFAOYSA-N,3,1,0.433,18,157,445.433,3.851,5,0.367,0.66,1.0,0.7102237680762113,0.6309797135220341,0.7016397094099103,0.6485847440202864,0.6728569837571104
EOS-3-34556,COc1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2C)n1,IQSRSCAHXSIHRG-UHFFFAOYSA-N,3,1,0.483,16,879,459.897,4.193,5,0.372,0.68,1.0,0.8039116578712905,0.6748081008841066,0.6112329518196148,0.514700842985402,0.6511633883901035
EOS-3-34557,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)nn1,AOIOAUSFLFOADB-UHFFFAOYSA-N,3,1,0.684,43,613,450.836,4.759,5,0.384,0.68,1.0,0.9490267973408265,0.9544496607497772,0.9335549311219244,0.9394147076965252,0.9441115242272633
EOS-3-34558,COc1cc(-c2cn(CCF)c(C)n2)ccc1-c1cncc2nnc(-c3ccc(C)cn3)n12,RCQOCRKNBCPCNA-UHFFFAOYSA-N,3,1,0.283,74,523,443.486,4.312,5,0.389,0.77,0.987,0.2068141319991776,0.1337039956137345,0.3471831951202796,0.24551949832088274,0.2333052052635186
EOS-3-34559,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1cncn1C,CKPVEMYXDVUQHI-UHFFFAOYSA-N,3,1,0.467,16,526,465.876,3.967,5,0.374,0.67,1.0,0.6950603111507093,0.5733757110547598,0.7197073538482627,0.6340381056815846,0.6555453704338291
EOS-3-34560,COc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccnc(C)n3)n12,SRKHOJNYTAAZCF-UHFFFAOYSA-N,3,1,0.484,87,710,445.508,3.643,5,0.374,0.65,1.0,0.43896922760605855,0.2483465835103831,0.11806079089849908,0.06671064354739223,0.21802181139058324
EOS-3-34561,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ncn2)cc1Cl,ACXXXEFJKGKYDE-UHFFFAOYSA-N,3,1,0.347,44,971,454.252,4.882,5,0.382,0.73,0.999,0.697955931738743,0.7589438695086012,0.8401154821465286,0.8880131587965184,0.7962571105475978
EOS-3-34562,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc(C)n2)nc1,UBTPSLHNUXCIJU-UHFFFAOYSA-N,3,1,0.414,31,531,458.913,3.93,5,0.377,0.63,1.0,0.569631964909876,0.4904992803783154,0.237543691316565,0.2428380508532657,0.38512824686450553
EOS-3-34563,C#Cc1ncc(COc2cncc3nnc(-c4cccc(-c5ncn(C)n5)c4)n23)nc1Cl,OAFRIAGOUFIXGF-UHFFFAOYSA-N,3,1,0.478,36,931,443.858,2.591,5,0.381,0.62,0.996,0.4026540333082037,0.48585600712768146,0.20940134329381124,0.2017253786580769,0.32490919059694334
EOS-3-34564,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2F)n1,STRORPFLIGZWLW-UHFFFAOYSA-N,3,1,0.527,37,490,451.849,3.959,5,0.382,0.67,1.0,0.8554502775683641,0.7631587965184018,0.4747190048660133,0.5111455691864848,0.6511184120348159
EOS-3-34565,Cc1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)cc(-c2cnco2)n1,QAZRUYMREFXHQA-UHFFFAOYSA-N,3,1,0.473,65,661,434.847,3.215,5,0.397,0.62,1.0,0.5894900966349119,0.5362380919745048,0.1691967651291892,0.18788979507915837,0.370703687204441
EOS-3-34566,Cn1nncc1-c1nccnc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,IODNGIJMAOUFPQ-UHFFFAOYSA-N,3,1,0.568,36,212,419.836,2.609,5,0.427,0.62,1.0,0.48430539373586456,0.6996179151531766,0.14705983140291962,0.23399698444246453,0.3912450311836063
EOS-3-34567,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)[nH]2)c1,JOLHMFLKLFYATQ-UHFFFAOYSA-N,3,1,0.307,30,880,452.869,3.749,6,0.429,0.61,0.64,0.12653347954218352,0.23784353368514838,0.21618634774861215,0.42951990953327396,0.2525208176273045
EOS-3-34568,Cc1nc(-c2cncc(Cl)c2)cc(-c2nnc3cncc(COCc4cccc(F)c4)n23)n1,OIGZQRBMEGXYIN-UHFFFAOYSA-N,3,1,0.431,44,500,461.888,4.461,5,0.368,0.73,0.998,0.3898379137824686,0.41964224521965593,0.6719210472208896,0.7247275717908299,0.551532194503461
EOS-3-34569,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccco5)cc4Cl)n23)cn1,GIGNEOGLHFUCBD-UHFFFAOYSA-N,3,1,0.316,98,693,454.881,4.562,6,0.385,0.71,1.0,0.17578473031320677,0.19833287643067646,0.5096120896443013,0.5954012747584128,0.3697827427866493
EOS-3-34570,CN(C)C(=O)c1ncc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4Cl)n23)cc1F,BWBUUYUEKQBSPC-UHFFFAOYSA-N,3,1,0.337,61,917,478.879,2.538,5,0.386,0.68,0.93,0.14869611404290317,0.33360461928586116,0.09636933726269618,0.12296963881844973,0.17540992735247754
EOS-3-34571,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5nncs5)c4)n23)ccc1Cl,KNLXAQVJBQSSPG-UHFFFAOYSA-N,3,1,0.524,16,256,435.9,4.246,5,0.407,0.67,1.0,0.6890977314783086,0.7887996024946885,0.5703601535192927,0.5832790761428278,0.6578841409087793
EOS-3-34572,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nccs5)n34)cc2Cl)cn1,QLZSAKOAOZAZPD-UHFFFAOYSA-N,3,1,0.68,4,716,435.9,4.246,5,0.407,0.67,1.0,0.5479747789733397,0.7461791515317662,0.45032896991296006,0.45166541018436024,0.5490370776506066
EOS-3-34573,CCn1cnc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)c2)c1,FHRNYMWMIAQRMP-UHFFFAOYSA-N,3,1,0.442,7,328,430.447,3.491,5,0.407,0.64,0.997,0.4136111301487218,0.3959032965526695,0.410047289424988,0.29631279555890616,0.37896862792132135
EOS-3-34574,Clc1cc(-c2cnnc(-c3nnc4cncc(OCCc5cncs5)n34)c2)cs1,FNOFJDSOLYNRKX-UHFFFAOYSA-N,3,1,0.429,65,466,441.929,4.041,5,0.392,0.66,1.0,0.4843139606606812,0.5407614282777055,0.2589695702830512,0.35000171338496333,0.4085116681516003
EOS-3-34575,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccnn5)c4)n23)cc1,WUWWRJWWFQEYKR-UHFFFAOYSA-N,3,1,0.341,74,738,408.425,2.67,5,0.487,0.79,1.0,0.19565142896305943,0.03180899184428757,0.36237235282023167,0.2723254060722363,0.21553954492495375
EOS-3-34576,Clc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,ZMRJCNFDCUABDI-UHFFFAOYSA-N,3,1,0.523,75,583,430.859,3.313,5,0.378,0.64,1.0,0.7581300116510178,0.7137704749503119,0.2697724624768693,0.29328867109862244,0.5087404050442054
EOS-3-34577,COc1ncc(-c2nnc3cncc(OCc4cccc(C)n4)n23)cc1-c1cnccn1,LWHRRXYTHPVWRN-UHFFFAOYSA-N,3,1,0.444,7,464,426.44,2.934,5,0.404,0.64,1.0,0.3668357206497156,0.185011308340758,0.21975018847234595,0.11377732849016517,0.22134363648824618
EOS-3-34578,COc1cc(-c2nnc3cncc(OCc4ccc(-c5cnn(C)n5)cc4F)n23)ccc1Cl,JAZRDXHUXUFLFB-UHFFFAOYSA-N,3,1,0.535,43,67,465.876,3.967,5,0.374,0.69,1.0,0.8512867521074635,0.8614642587896648,0.8053937358645741,0.7355989993831814,0.813435936536221
EOS-3-34579,Cc1nc(Cc2cncc3nnc(-c4cnc(C)c(F)c4)n23)cc(-c2ccccn2)n1,NSIDYLMUUYGFJU-UHFFFAOYSA-N,3,1,0.347,85,81,412.432,3.385,5,0.446,0.74,1.0,0.32950106229867726,0.3146117469673086,0.2553800287848674,0.2455280652456994,0.28625522582413815
EOS-3-34580,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)cn(C)c5=O)n34)ncn2)cn1,OJZAHZAIBWOKBW-UHFFFAOYSA-N,3,1,0.34,51,113,447.846,2.491,5,0.408,0.59,0.999,0.4298454526763073,0.3820334452744843,0.2058203687204441,0.1987697895963265,0.30411726406689055
EOS-3-34581,Cc1cccc(COc2ccc(C)nc2-c2cncc3nnc(-c4ccc(C)nc4)n23)c1,XAEQZFOUBBETEJ-UHFFFAOYSA-N,3,1,0.364,62,586,422.492,4.753,5,0.407,0.78,1.0,0.2987972037557398,0.18501987526557467,0.5601483791378247,0.4295284764580906,0.36837348365430744
EOS-3-34583,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)c2)o1,IFSHSFNHZIWZQK-UHFFFAOYSA-N,3,1,0.489,15,655,451.849,3.959,5,0.357,0.68,1.0,0.8092488520320745,0.7230655883763965,0.4031423480227537,0.41366253169762185,0.5872798300322116
EOS-3-34584,Cc1nccc(-c2ccc(-c3nnc4cncc(COc5ccccc5)n34)cc2F)c1F,TYGFRWGFEADGEA-UHFFFAOYSA-N,3,1,0.432,14,18,429.43,5.019,5,0.393,0.78,1.0,0.7256442327462134,0.727588924679597,0.9123089575765883,0.8906946062641354,0.8140591803166335
EOS-3-34585,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)cn2)c1,IBHZRKWVQUFJHX-UHFFFAOYSA-N,3,1,0.345,32,392,418.42,3.965,6,0.423,0.74,1.0,0.14298197519018574,0.11070180248098142,0.457422383661161,0.4547580700431773,0.29146605784387636
EOS-3-34586,Cc1nsc(-c2cc(C#N)nc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)n1,AJMKCYIPBQANTQ-UHFFFAOYSA-N,3,1,0.433,7,205,470.478,1.958,5,0.387,0.64,1.0,0.38984648070728534,0.2994225892673566,0.061082173942841475,0.0335052429579878,0.19596412171886782
EOS-3-34587,CCc1ncc(-c2cc(-c3nnc4cncc(Cc5ccc(F)cc5F)n34)ccn2)s1,KAYCFQJWAJSVNB-UHFFFAOYSA-N,3,1,0.357,14,81,434.475,4.741,5,0.4,0.72,1.0,0.3039716263450072,0.367726680830649,0.6082944966074978,0.6428277705434857,0.4807051435816599
EOS-3-34588,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5sncc5F)n34)ncn2)c1,CDMNNDPTLBWCEQ-UHFFFAOYSA-N,3,1,0.396,46,395,424.396,2.957,5,0.424,0.67,0.635,0.5506305256665067,0.49050784730313207,0.37376636282639986,0.4231889520937564,0.4595234219724488
EOS-3-34589,COc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1nc(C)c(C)n1C,YIHMZRKPXSRISW-UHFFFAOYSA-N,3,1,0.511,20,658,456.51,3.229,5,0.368,0.62,1.0,0.29349427729422245,0.11071036940579809,0.09410766911109589,0.04013604276608868,0.1346120896443013
EOS-3-34590,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)n1,YFWINJZYXMDRIC-UHFFFAOYSA-N,3,1,0.575,97,210,433.834,4.015,5,0.386,0.6,1.0,0.9398944554862586,0.9642587896648619,0.6584795421835378,0.7167517647865123,0.8198461380302926
EOS-3-34591,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cccnc1,XIKDWQWUABCEBZ-UHFFFAOYSA-N,3,1,0.527,87,657,459.897,3.927,5,0.361,0.69,1.0,0.7225258721129464,0.7548317455966006,0.47135220341306283,0.4231975190185731,0.5929768350352957
EOS-3-34592,Fc1ncccc1CCOc1cncc2nnc(-c3cnnc(-c4ncc(Cl)cn4)c3)n12,FKSPNIAGWCIXRT-UHFFFAOYSA-N,3,1,0.478,65,65,449.837,2.847,5,0.36,0.62,1.0,0.8065160030155575,0.8285158659447605,0.2993883215680899,0.3630748406551984,0.5743737577959016
EOS-3-34593,Fc1cncc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c1F,ZIXDRXBYYUWQJN-UHFFFAOYSA-N,3,1,0.433,2,564,418.367,2.896,5,0.429,0.65,1.0,0.6891062984031252,0.6077462134192311,0.7066856281269276,0.6804708381879241,0.671002244534302
EOS-3-34594,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccs5)c4)n23)cn1,VEIRAVDLAYPPTN-UHFFFAOYSA-N,3,1,0.577,75,583,418.457,4.07,5,0.387,0.81,1.0,0.8921424165581523,0.8054708381879241,0.5538516893975739,0.5314320471523541,0.6957242478240011
EOS-3-34595,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3ncc(F)cn3)n12,IGNNBIZZGSYBIH-UHFFFAOYSA-N,3,1,0.441,65,804,447.434,2.146,5,0.37,0.59,1.0,0.5696405318346927,0.38204201219930095,0.059026111986841205,0.035587005688438075,0.26157391542731817
EOS-3-34596,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)nc1CO,PUYGOTBXOBGMEG-UHFFFAOYSA-N,3,1,0.474,65,349,463.889,2.144,5,0.385,0.66,1.0,0.41821156877527244,0.4103728325680214,0.09903365088067988,0.13371256253855116,0.2653326536906312
EOS-3-34597,Clc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ccccn1,PQHDMVNUXGWFBK-UHFFFAOYSA-N,3,1,0.524,97,214,420.885,4.542,5,0.415,0.78,1.0,0.7581385785758344,0.7322921664039477,0.5957182509766294,0.6569203618669043,0.685767339455829
EOS-3-34598,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ncncc5C(F)F)ncn4)n23)nc1,YKTZNCSQZMXHGI-UHFFFAOYSA-N,3,1,0.384,46,726,451.372,3.089,5,0.384,0.6,1.0,0.612183880474265,0.6651446096909054,0.6380045918717018,0.5861832636556782,0.6253790864231377
EOS-3-34599,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc(Cl)n1,FBJJSCFQWQUUPV-UHFFFAOYSA-N,3,1,0.522,65,904,450.865,3.396,5,0.366,0.61,1.0,0.7008429854019601,0.6309882804468508,0.4680111027345624,0.4824292372010143,0.5705679014460969
EOS-3-34600,Cn1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)c2)n1,BQBXGOBZYKGWDL-UHFFFAOYSA-N,3,1,0.518,77,323,450.462,3.821,6,0.377,0.68,1.0,0.5805033925022274,0.28397642382290456,0.47136077033787954,0.3978565554108697,0.4334242855184703
EOS-3-34601,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccc(Cl)c5)n34)nn2)cn1,GCDQLFNEZFQJLO-UHFFFAOYSA-N,3,1,0.366,10,541,465.908,4.364,6,0.381,0.69,0.99,0.10292303474744706,0.212502570077445,0.4781543417174971,0.5673531629086424,0.3402332773627579
EOS-3-34602,CC(C)n1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccccn5)ncn4)n23)cc1,OFDYSPCBEPLYQM-UHFFFAOYSA-N,3,1,0.304,38,193,460.505,4.15,6,0.377,0.65,1.0,0.04813755054485642,0.04513055993420602,0.20216229182372694,0.1554211500239874,0.11271288808169419
EOS-3-34603,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)c2)nc1,AGEDCOLRJVOORP-UHFFFAOYSA-N,3,1,0.529,44,692,464.863,4.801,5,0.359,0.73,1.0,0.792706120211089,0.8090689466109245,0.8904290315948187,0.9106212733877047,0.8507063429511342
EOS-3-34604,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5F)cn4)n23)cc1,TVSOTCYMDHFTPR-UHFFFAOYSA-N,3,1,0.45,89,943,482.479,3.254,6,0.351,0.83,1.0,0.5609365362209581,0.29457370982112263,0.23755225824138168,0.2515677472414502,0.3361575628812281
EOS-3-34606,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ncc(Cl)cn5)n34)cc2)nn1,RGVYNEBPQSTZOP-UHFFFAOYSA-N,3,1,0.291,42,369,466.896,3.759,6,0.386,0.63,1.0,0.1077290795695977,0.17216948804057294,0.25538859570968403,0.33389589472962783,0.2172957645123706
EOS-3-34607,COc1nc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)ccc1-c1ncc(F)cn1,CPLVGHGBFBTTSX-UHFFFAOYSA-N,3,1,0.4,46,896,466.383,3.043,5,0.349,0.65,1.0,0.8488366116098965,0.6945719964361593,0.5503735179220067,0.4703841409087794,0.6410415667192105
EOS-3-34608,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)cn5)n34)c2)nn1,KAMDDEJOFHFLHB-UHFFFAOYSA-N,3,1,0.303,39,719,451.429,2.64,6,0.398,0.55,0.999,0.032562881228154344,0.13028579261188403,0.24844938660818314,0.32125968062504284,0.18313943526831608
EOS-3-34609,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccc(F)cn1,GBIBURVJVAFTOE-UHFFFAOYSA-N,3,1,0.433,95,477,450.865,3.396,5,0.391,0.6,0.99,0.49190425604824894,0.42416558152285655,0.36588479199506546,0.4485042149270098,0.4326147111232952
EOS-3-34610,c1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)nc1,NUTRIEWXLQBRTJ-UHFFFAOYSA-N,3,1,0.432,40,518,465.502,3.741,6,0.362,0.67,1.0,0.5531920361866904,0.5314577479268042,0.20217085874854362,0.18252690014392434,0.36733688575149065
EOS-3-34611,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c(-c2ccc(F)cc2)n1,AAQZBPWBIYVNTI-UHFFFAOYSA-N,3,1,0.395,9,867,452.453,4.531,6,0.379,0.67,1.0,0.22608971283668014,0.36267219518881505,0.46092625591117814,0.4884946199712151,0.3845456959769721
EOS-3-34612,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c(F)c1,QGZKWRWPNDKJRM-UHFFFAOYSA-N,3,1,0.411,51,196,468.855,3.786,5,0.358,0.69,1.0,0.710232335001028,0.6261651017750668,0.5267373723528203,0.567361729833459,0.6076241347405935
EOS-3-34613,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nc[nH]c5-c5cnc(Cl)nn5)n34)cc2)cn1C,JZNUJHVMVPBZGW-UHFFFAOYSA-N,3,1,0.287,98,882,469.9,3.396,6,0.416,0.6,0.896,0.1704047015283394,0.2634329381125351,0.1788431224727572,0.19591700363237613,0.20214944143650193
EOS-3-34614,CCOc1ncc(-c2nnc3cncc(OCc4cc(-c5cncs5)ns4)n23)cn1,ISHGBZRUYFZBPE-UHFFFAOYSA-N,3,1,0.46,7,879,438.498,3.139,5,0.378,0.65,1.0,0.3193064217668426,0.21251113700226168,0.04008464121718868,0.020689123432252758,0.14814783085463643
EOS-3-34615,Cn1ncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1-c1ccc(F)cc1,OHRXEFJBIPAQCD-UHFFFAOYSA-N,3,1,0.517,37,639,449.877,4.001,5,0.364,0.67,1.0,0.5667020766225755,0.602743129326297,0.5402474127887054,0.622395654855733,0.5830220683983278
EOS-3-34616,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)c1F,RDEAZMGBGQWDDB-UHFFFAOYSA-N,3,1,0.296,64,449,465.427,4.046,6,0.384,0.62,0.999,0.2988057706805565,0.35816599273524774,0.5990165170310465,0.6514889315331369,0.47686930299499697
EOS-3-34617,Fc1cnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nc1,QPIWMGJNPGCQGN-UHFFFAOYSA-N,3,1,0.418,58,954,466.839,3.591,5,0.35,0.67,1.0,0.7496316222328833,0.7230741553012131,0.4852563223905147,0.554391405661024,0.6280883763964087
EOS-3-34618,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccnc6)c5)n34)cc2)nc1,JUUAURDUQBVPAA-UHFFFAOYSA-N,3,1,0.31,42,150,450.893,4.754,6,0.385,0.68,1.0,0.06718182441230895,0.18084778287985745,0.7143101912137619,0.7614539784798848,0.4309484442464533
EOS-3-34619,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ccn4)n23)ccc1F,FBHHZJJSRYMUCF-UHFFFAOYSA-N,3,1,0.427,18,503,445.433,3.851,5,0.367,0.67,1.0,0.667680419436639,0.554648413405524,0.6317421698307175,0.5983225961208964,0.6130983996984443
EOS-3-34620,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)cs4)n23)cn1,SLJSKAMQQHSOIY-UHFFFAOYSA-N,3,1,0.531,7,85,419.445,3.731,5,0.429,0.72,1.0,0.7317952847645809,0.7846703447330546,0.38126242204098415,0.32753066959084365,0.5563146802823659
EOS-3-34621,CCn1nc(-c2nnc3cncc(OCc4ccnc(CO)c4)n23)cc1-c1cnccn1,ISQFCKDXQGAMTN-UHFFFAOYSA-N,3,1,0.385,7,828,429.444,1.931,5,0.412,0.61,1.0,0.137584812555685,0.04513912685902269,0.08216537591666095,0.06182749640189158,0.08167920293331504
EOS-3-34622,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)s1,ZJOYSYXLWBRPKT-UHFFFAOYSA-N,3,1,0.544,65,142,416.47,3.03,5,0.416,0.75,1.0,0.4553920224796107,0.3198718388047426,0.11505380028784867,0.102511822356247,0.24820737098211224
EOS-3-34623,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1F,OONPBARZKGDRKH-UHFFFAOYSA-N,3,1,0.5,4,554,449.877,4.441,5,0.356,0.73,1.0,0.6289322184908506,0.6125094236172983,0.7042954561030772,0.6919333835926256,0.659417620450963
EOS-3-34624,Fc1cc(Cl)ccc1-c1ccc(-c2nnc3cncc(-c4cnn(C(F)F)c4)n23)cn1,DWADDSRVTCOILD-UHFFFAOYSA-N,3,1,0.333,45,575,441.804,4.904,5,0.396,0.7,1.0,0.19854704955109315,0.4858645740524981,0.957319580563361,0.9608662874374615,0.6506493729011035
EOS-3-34625,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)ncc2F)cn1,BYLFVBUVNAISII-UHFFFAOYSA-N,3,1,0.411,65,720,431.435,2.446,5,0.403,0.58,1.0,0.4341032143101912,0.3146203138921253,0.2268693029949969,0.1767099581934069,0.28807569734768007
EOS-3-34626,Cc1n[nH]c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cc(F)n2)n1,WYTAQDTYRQOZFB-UHFFFAOYSA-N,3,1,0.451,55,283,437.826,3.046,5,0.416,0.58,1.0,0.7072681790144609,0.7415787129052156,0.39600609965046946,0.4167466246316222,0.565399904050442
EOS-3-34627,Cc1nc(F)cc(CCOc2cncc3nnc(-c4cccc(-c5ncn(C)n5)c4)n23)n1,LFRHXYPNCUZLPR-UHFFFAOYSA-N,3,1,0.495,15,931,431.435,2.446,5,0.377,0.62,1.0,0.5194297854842026,0.4905164142279487,0.12358645740524982,0.0962836680145295,0.3074540812829827
EOS-3-34628,Cn1cnnc1-c1ccnc(-c2cccc(-c3nnc4cncc(OCc5ccccn5)n34)c2)c1,RRHGUQXFFHMWRG-UHFFFAOYSA-N,3,1,0.57,81,667,461.489,3.623,6,0.37,0.63,1.0,0.3169419505174423,0.16404804331437187,0.31784147762319237,0.28711191830580496,0.2714858474402029
EOS-3-34629,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4ccnnc4)nc3)n12,JHZGAUFBGIUDIL-UHFFFAOYSA-N,3,1,0.364,93,987,445.461,5.116,6,0.375,0.77,1.0,0.3437392913439792,0.472637242135563,0.8432766774038791,0.8631176752792817,0.6306927215406758
EOS-3-34630,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cn(-c5cccc(F)n5)nn4)n23)cc1,DJHJPCCBQVUPOJ-UHFFFAOYSA-N,3,1,0.588,56,415,469.444,2.281,6,0.338,0.69,1.0,0.23978822561853197,0.31988040572955934,0.13827016654101842,0.13813309574395174,0.20901797340826536
EOS-3-34631,CCn1cc(-c2cc(-c3nnc4cncc(OCc5scnc5C)n34)nn2C)cn1,GOTSDOUSHNGDMB-UHFFFAOYSA-N,3,1,0.444,92,569,421.49,2.752,5,0.415,0.66,0.992,0.049739565485573296,0.01638852717428552,0.022231169899252966,0.009860530463984649,0.024554948255774107
EOS-3-34632,Cc1cc(-c2ccncn2)ccc1-c1nnc2cncc(OCc3ccc(OC(F)F)cc3)n12,FTTIEESHEKKJDZ-UHFFFAOYSA-N,3,1,0.59,1,713,460.444,4.737,5,0.347,0.8,1.0,0.9021571516688369,0.8013158796518401,0.9208416146939894,0.8598708107737647,0.8710463641971078
EOS-3-34633,Cc1nc(-c2cnc(F)nc2)ccc1-c1nnc2cncc(OCc3cccs3)n12,XWSDSYGWAJGGLU-UHFFFAOYSA-N,3,1,0.58,7,434,419.445,3.731,5,0.401,0.76,1.0,0.6492700980056199,0.7184308820505791,0.3697313412377493,0.3120074018230416,0.5123599307792475
EOS-3-34634,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)nc5)n34)s2)n(C)n1,NTKCJGCVHXXNQR-UHFFFAOYSA-N,3,1,0.306,76,272,469.509,4.22,6,0.381,0.72,0.999,0.11309197450483174,0.2839849907477212,0.17245219655952299,0.21389897882256184,0.19585703515865943
EOS-3-34636,Fc1cnnc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)c1,NUWLQULXZBQSTG-UHFFFAOYSA-N,3,1,0.415,53,88,415.392,2.194,5,0.411,0.67,1.0,0.5118908916455349,0.46398464807072853,0.19191624974299226,0.22495887876088,0.34818766705503396
EOS-3-34637,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc1-c1ncc(Cl)cn1,PWVNVKHYSBOUET-UHFFFAOYSA-N,3,1,0.427,73,775,469.267,4.063,5,0.38,0.66,1.0,0.6676889863614557,0.7968782125968062,0.4920070591460489,0.6224042217805497,0.6447446199712152
EOS-3-34638,FCc1nccc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)n1,BAJAWZKRKURNQH-UHFFFAOYSA-N,3,1,0.435,1,700,413.416,3.692,5,0.419,0.78,1.0,0.4253306832979234,0.3484853676924131,0.332576588307861,0.35311150709341377,0.3648760365979028
EOS-3-34639,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ncn2)c(F)n1,SDBVCTOIZCYSHW-UHFFFAOYSA-N,3,1,0.462,46,238,448.849,3.718,5,0.375,0.64,0.98,0.5194383524090193,0.5640548968542252,0.5470581180179562,0.5510331711328902,0.5453961346035228
EOS-3-34640,Cc1c(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cnn1C,XHLBRBLOQIEVSS-UHFFFAOYSA-N,3,1,0.495,65,349,446.902,3.565,5,0.368,0.68,1.0,0.44601980673017616,0.45525495168254404,0.4282948392844904,0.3822561853197176,0.4279564457542321
EOS-3-34641,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)ncn2)n1,UJGBWHPMACXFQU-UHFFFAOYSA-N,3,1,0.427,31,194,417.408,2.137,5,0.413,0.67,0.991,0.4341117812350079,0.2945822767459393,0.1820300185045576,0.16323418545678844,0.2684895654855733
EOS-3-34642,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1-c1ccsc1,WIRVHUYWVJARMR-UHFFFAOYSA-N,3,1,0.411,95,564,425.424,3.506,5,0.429,0.61,1.0,0.39422417928860254,0.23273764649441436,0.5893958604619286,0.5801521485847441,0.44912745870742243
EOS-3-34643,COc1cc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCc3cccc(Cl)n3)n12,MLALKVROFCSXQA-UHFFFAOYSA-N,3,1,0.489,4,31,463.86,4.023,5,0.348,0.72,1.0,0.8065245699403742,0.6996264820779933,0.6232009457884997,0.5640463299294085,0.6733495819340689
EOS-3-34644,Fc1cc(-c2ccc(F)c(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)ccn1,DUIHUOHKUYCQSV-UHFFFAOYSA-N,3,1,0.393,13,417,436.809,4.972,5,0.37,0.78,1.0,0.7674422589267357,0.8784867384003838,0.9208501816188062,0.9324926324446576,0.8748179528476459
EOS-3-34645,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)ccn2)ncn1,NEBVYSGLNILHCS-UHFFFAOYSA-N,3,1,0.462,31,359,447.89,2.96,5,0.391,0.63,1.0,0.44822150640805974,0.44170207662257555,0.14706839832773627,0.15279110410527036,0.2974457713659105
EOS-3-34646,Cc1ncncc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,QDVYCANNVTUBHV-UHFFFAOYSA-N,3,1,0.299,69,220,441.498,5.286,6,0.37,0.82,1.0,0.10545884449318073,0.09759440751147969,0.6802052635186073,0.6774638475772736,0.39018059077513534
EOS-3-34647,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)nc1C,VWRLMVLFCXYSTJ-UHFFFAOYSA-N,3,1,0.38,46,690,448.437,3.63,5,0.391,0.6,0.897,0.44823007333287646,0.3773644712494003,0.4283034062093071,0.36938009732026594,0.40581951202796246
EOS-3-34648,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)nc1,XHWAKSKTQWDJBK-UHFFFAOYSA-N,3,1,0.286,64,114,447.437,3.906,6,0.375,0.62,0.879,0.23422829141251456,0.319888972654376,0.377681447467617,0.4359108354465081,0.3419273867452539
EOS-3-34649,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)ccn2)nc1,QSZSBMUPAMHUCA-UHFFFAOYSA-N,3,1,0.489,75,420,449.837,2.847,5,0.36,0.61,1.0,0.8624580220683983,0.7761291206908368,0.24123603591254883,0.272333972997053,0.5380392879172092
EOS-3-34650,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)c1,OTXPDPRCHXYJKY-UHFFFAOYSA-N,3,1,0.521,84,328,451.412,3.626,5,0.367,0.66,1.0,0.7102409019258447,0.6218216708930162,0.884749160441368,0.842428551847029,0.7648100712768144
EOS-3-34651,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)cn2)n1,FOJCFQMRRJVUPP-UHFFFAOYSA-N,3,1,0.435,55,283,448.849,3.718,5,0.375,0.63,1.0,0.8323110136385443,0.8285244328695771,0.6083030635323144,0.5892844904393119,0.714605750119937
EOS-3-34652,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5nncs5)n34)cc(Cl)n2)cn1,OFVQTUJIPFWTJQ-UHFFFAOYSA-N,3,1,0.457,7,486,453.875,2.22,5,0.381,0.64,1.0,0.389855047632102,0.49541669522308274,0.10944246453293126,0.13568295524638477,0.2825992906586252
EOS-3-34653,Fc1cnc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1,DLKCTJGFXBUHRZ-UHFFFAOYSA-N,3,1,0.488,24,912,417.379,3.501,5,0.404,0.73,1.0,0.8576605441710644,0.6846343636488246,0.7066941950517442,0.6774724145020903,0.7316153793434309
EOS-3-34654,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2Cl)cs1,WRFVWFBIRVVOQQ-UHFFFAOYSA-N,3,1,0.598,11,684,448.939,4.893,5,0.368,0.78,1.0,0.8811767527928175,0.9100558563498047,0.5634809128915085,0.5737269549722431,0.7321101192515934
EOS-3-34655,N#Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cc4F)n23)cc1F,UOKQMPVCHLPCQA-UHFFFAOYSA-N,3,1,0.313,96,46,412.363,3.46,5,0.447,0.76,1.0,0.38986361455691865,0.4954252621478994,0.8448958261942293,0.8547649235830307,0.6462374066205195
EOS-3-34656,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cc2F)nc1,PYWGZGWDFMHMGC-UHFFFAOYSA-N,3,1,0.542,73,469,469.814,4.293,5,0.379,0.7,1.0,0.9021657185936536,0.9252878486738401,0.8929905421150024,0.9037505996847371,0.9060486772668083
EOS-3-34657,Cc1ncc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)c(-c2ccccn2)n1,DSEWYIIKXXLTPB-UHFFFAOYSA-N,3,1,0.308,86,312,434.427,1.989,6,0.405,0.58,0.976,0.002064628880816942,0.005097320265917346,0.03593824960592146,0.041438215338222194,0.021134603522719488
EOS-3-34658,Fc1nccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)n1,NSNPNXOEDKRGEI-UHFFFAOYSA-N,3,1,0.662,34,798,450.836,4.759,5,0.359,0.78,1.0,0.9887259269412652,0.9879463367829484,0.9328010417380577,0.9368189294770749,0.9615730587348366
EOS-3-34659,Cc1cc(CCOc2cncc3nnc(-c4cc(-c5ncc(F)cn5)cnn4)n23)ccn1,QQBSWPQFATXCIP-UHFFFAOYSA-N,3,1,0.444,65,65,429.419,2.502,5,0.401,0.59,1.0,0.6918391474196423,0.5597714344458913,0.20217942567336028,0.182535467068741,0.40908136865190864
EOS-3-34660,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)nc1)N1CCC(F)(F)C1,HMJIMLTVQBQEBX-UHFFFAOYSA-N,3,1,0.31,52,821,484.47,3.792,6,0.382,0.85,0.017,0.03782297306558838,0.07491775752175998,0.11205537660201494,0.29035878281132205,0.12878872250017134
EOS-3-34661,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)n2)nc1,YMSWGBBQKPYQNY-UHFFFAOYSA-N,3,1,0.354,32,20,464.439,4.651,6,0.375,0.7,1.0,0.2741929956822699,0.4464053183469262,0.6584881091083544,0.7142502227400452,0.5233341614693989
EOS-3-34662,Fc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5cccnc5F)c4)n23)c1,DBDAGMWVKFPEFD-UHFFFAOYSA-N,3,1,0.679,57,222,447.42,4.892,5,0.347,0.79,1.0,0.9437581385785758,0.9511856623946269,0.9498492221232266,0.9502004660407101,0.9487483722842849
EOS-3-34663,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)c(F)c1,GKXMIYJPXQUOGD-UHFFFAOYSA-N,3,1,0.321,32,314,467.443,3.989,6,0.387,0.64,1.0,0.2717685559591529,0.3820505791241176,0.6347405935165513,0.6599359194023713,0.4871239120005483
EOS-3-34664,Cc1cc(-c2ccccn2)cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)c1,BRXAOWRTNKNVMG-UHFFFAOYSA-N,3,1,0.479,11,846,443.898,4.227,5,0.388,0.63,1.0,0.7375522582413817,0.7137790418751285,0.3960146665752861,0.445248783496676,0.5731486875471181
EOS-3-34665,Fc1ccnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)n2)c1,RFIRSKRWVWLXHT-UHFFFAOYSA-N,3,1,0.326,70,191,454.454,3.363,6,0.395,0.56,0.846,0.17309471592077308,0.31989753957919265,0.21975875539716264,0.2871204852306216,0.2499678740319375
EOS-3-34666,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cn4)n23)ncn1,CRUBHSRRHPIJKM-UHFFFAOYSA-N,3,1,0.255,39,953,453.405,1.43,6,0.381,0.57,0.616,0.06719039133712562,0.13371256253855116,0.024158727983003222,0.04658693715303955,0.06791215475292989
EOS-3-34667,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)cn5)n34)cn2)cn1,ZQASUOURLARFRU-UHFFFAOYSA-N,3,1,0.342,32,392,465.427,4.046,6,0.359,0.66,0.999,0.3484939346172298,0.4417106435473922,0.6664724830374888,0.6686484819409225,0.5313313857857583
EOS-3-34668,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)nc2)s1,LWQCBCZUOVRGDT-UHFFFAOYSA-N,3,1,0.471,54,16,453.89,4.385,5,0.39,0.68,0.999,0.580511959427044,0.6361198684120348,0.5059283119731341,0.5673702967582757,0.5724826091426222
EOS-3-34669,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5cccs5)c4)n23)n1,VDCAUSMEIYSSOG-UHFFFAOYSA-N,3,1,0.575,24,912,420.885,4.542,5,0.388,0.82,1.0,0.5506390925913234,0.6261736686998834,0.5369063121102049,0.5767853471317935,0.5726261051333014
EOS-3-34670,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(C#N)c(F)c6)nc5)n34)cn2)n1,ISQDXXRWKSXTDW-UHFFFAOYSA-N,3,1,0.321,42,664,473.475,4.42,6,0.373,0.75,0.999,0.02209409910218628,0.2892365156603386,0.7547118086491673,0.7247361387156467,0.4476946405318347
EOS-3-34671,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4F)n23)c(F)c1,KGMLZVXPKHGMEN-UHFFFAOYSA-N,3,1,0.299,39,972,468.431,3.384,6,0.362,0.65,0.731,0.1844544582276746,0.21743711877184566,0.3776900143924337,0.43873792063600847,0.3045798780069906
EOS-3-34672,Cc1cc(-c2cc(-c3nnc4cncc(COc5cccc(C)n5)n34)cc(C)n2)ccn1,LPJSMJHWIJVMQW-UHFFFAOYSA-N,3,1,0.33,14,351,423.48,4.148,5,0.419,0.67,1.0,0.31695051744225894,0.15642348022753752,0.3886471112329518,0.2370125419779316,0.27475841272017
EOS-3-34673,COc1nc(-c2nnc3cncc(OCCc4cnc(F)cn4)n23)ccc1-c1nccs1,KOQABVCPAFFGCD-UHFFFAOYSA-N,3,1,0.427,49,501,450.459,2.869,5,0.369,0.62,0.861,0.5454475361524227,0.48587314097731477,0.09191453635802892,0.06507436090740867,0.29707739359879376
EOS-3-34674,COc1ncc(-n2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)n2)nn1,SIVQWHYUUFIQRD-UHFFFAOYSA-N,3,1,0.266,99,892,451.414,1.085,6,0.367,0.62,0.964,0.07498629292029334,0.05227537523130697,0.010237475155918031,0.0068706737029675825,0.03609245425262148
EOS-3-34675,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4cnc(F)cn4)n23)c(C)n1,QFSQGZQBWXKVDV-UHFFFAOYSA-N,3,1,0.452,20,279,445.462,2.754,5,0.393,0.59,0.986,0.43201288465492427,0.4057124254677541,0.12085360838873278,0.0814885888561442,0.26001687684188884
EOS-3-34676,Fc1cnc(F)c(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)c1,WBNQKUFHJPZVTD-UHFFFAOYSA-N,3,1,0.462,46,511,452.812,3.549,5,0.373,0.63,0.998,0.5834932492632444,0.6172726338153657,0.7327033787951477,0.7787763004591872,0.6780613905832362
EOS-3-34677,Cc1nc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4cccc(F)c4)nc3)n12,KYEFPWOVAIBUMU-UHFFFAOYSA-N,3,1,0.489,1,801,446.873,4.928,5,0.356,0.8,1.0,0.8904461654444521,0.8701339867041327,0.8173702967582757,0.822390514700843,0.8500852409019259
EOS-3-34678,Fc1cc(-c2cnncn2)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,XIOUBWDZLMJXLC-UHFFFAOYSA-N,3,1,0.415,73,379,453.8,2.944,5,0.37,0.64,1.0,0.8092574189568912,0.8389075457473785,0.5830820368720444,0.6280326913851004,0.7148199232403536
EOS-3-34679,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)cc1,ZVXSNPJXJIHOOQ-UHFFFAOYSA-N,3,1,0.316,38,762,448.465,4.455,6,0.37,0.68,1.0,0.2506082516619834,0.2787848673840038,0.6638510040435885,0.6310482489205674,0.45607309300253585
EOS-3-34680,Cc1nc(-c2cccc(Cl)n2)c(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)n1C,VPCHMWDBCWHHQS-UHFFFAOYSA-N,3,1,0.326,74,768,462.876,3.454,5,0.409,0.61,0.35,0.3295096292234939,0.28399355767253787,0.29211500239873894,0.3467291481049962,0.3130868343499418
EOS-3-34681,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)ccnc1Cl,WRTSKJXPJCKFBQ-UHFFFAOYSA-N,3,1,0.452,18,262,448.849,3.452,5,0.364,0.63,1.0,0.8442618737577959,0.8701425536289493,0.4888115961894318,0.504617572476184,0.6769583990130902
EOS-3-34682,Cc1cc(-c2nnc3cncc(-c4ncc(-c5cnnn5C)cn4)n23)cnc1-c1cn(C)c(C)n1,HSXCBVAHLLKMQF-UHFFFAOYSA-N,3,1,0.242,86,489,464.497,2.456,6,0.386,0.59,1.0,0.07692241792886026,0.11357172229456514,0.03867966554725516,0.022274004523336305,0.06286195257350422
EOS-3-34683,Cc1nccc(-c2ncc(F)cc2-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)n1,KLWSFNGFHLPWHI-UHFFFAOYSA-N,3,1,0.33,85,260,466.402,4.095,5,0.368,0.68,0.717,0.4818980878623809,0.5502878486738401,0.8784781714755672,0.7737989171407031,0.6711157562881228
EOS-3-34684,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nn2)n(C)n1,PSAPPTAFMVWMTE-UHFFFAOYSA-N,3,1,0.4,67,622,461.489,4.145,6,0.377,0.69,1.0,0.3295181961483106,0.21744568569666234,0.3432681104790624,0.2932972380234391,0.2958823075868686
EOS-3-34685,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nc2F)nc1,ZPOJYZWDZXCPPM-UHFFFAOYSA-N,3,1,0.467,18,773,450.384,3.077,5,0.364,0.61,1.0,0.8667243506270988,0.8247806867246933,0.547066684942773,0.5413782468645055,0.6949874922897676
EOS-3-34686,CCc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)cnn1,RBFGZGWQDKUMMN-UHFFFAOYSA-N,3,1,0.506,90,636,407.409,2.221,4,0.522,0.83,1.0,0.4719347543005963,0.41038139949283803,0.2736875471180865,0.1632427523816051,0.3298116133232815
EOS-3-34687,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)s5)ncn4)n23)nc1,NFBSJWGOXZBFNA-UHFFFAOYSA-N,3,1,0.376,33,53,474.51,2.132,5,0.372,0.61,0.985,0.23979679254334865,0.11071893633061476,0.014760811459118634,0.0042320608594338975,0.09237715029812898
EOS-3-34688,c1cncc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)nc5)n34)n2)c1,FKBWJBPNNWOOJZ-UHFFFAOYSA-N,3,1,0.444,6,843,448.45,3.007,6,0.408,0.57,1.0,0.4795079158385306,0.415101775066822,0.2128709478445617,0.18254403399355768,0.32250616818586797
EOS-3-34690,COc1cc(-c2nnc3cncc(OCc4cc(Cl)nc(C)n4)n23)ccc1-c1nccn1C,BKUIUGSZXJDXLG-UHFFFAOYSA-N,3,1,0.469,16,248,462.901,3.531,5,0.353,0.7,1.0,0.5169282434377356,0.44641388527174286,0.30651600301555754,0.2048608731409773,0.3686797512165033
EOS-3-34691,Cn1cnnc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1Cl,WYTRIMTVTZECKD-UHFFFAOYSA-N,3,1,0.5,37,639,467.32,3.91,5,0.35,0.7,1.0,0.7467188677952162,0.852280515386197,0.432149955451991,0.5477177712288397,0.6447167774655609
EOS-3-34692,COc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,YSFPBSRLFQSZGT-UHFFFAOYSA-N,3,1,0.464,72,925,461.432,3.552,5,0.363,0.65,1.0,0.7525615105201837,0.6556610239188541,0.6411486532794188,0.5640548968542252,0.6533565211431704
EOS-3-34693,CCn1nnnc1-c1cncc2nnc(-c3nccnc3-c3cc(Cl)ccc3F)n12,MSZVJUHFAGNSNE-UHFFFAOYSA-N,3,1,0.298,50,844,422.815,2.714,5,0.434,0.58,0.992,0.1429905421150024,0.21251970392707834,0.057107120827907615,0.2166232609142622,0.15731015694606262
EOS-3-34694,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnsc5)n4)n23)cc1,JYAXEUAMGNXACD-UHFFFAOYSA-N,3,1,0.315,38,193,437.492,3.772,6,0.414,0.58,1.0,0.10016448495648002,0.08527516962511136,0.24471420738811597,0.26376704818038516,0.17348022753752312
EOS-3-34695,Cn1cnc(=N)c2nc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cnc21,NWEGGVRVWBBFDL-UHFFFAOYSA-N,3,1,0.462,27,51,453.388,2.545,5,0.444,0.62,1.0,0.6317164690562675,0.4858817079021315,0.6911109588102254,0.5767939140566103,0.5963757624563087
EOS-3-34696,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ncc(F)cn6)o5)n34)cc2)n(C)n1,SNAFUIVCETZAOU-UHFFFAOYSA-N,3,1,0.333,98,42,454.429,3.146,6,0.395,0.57,1.0,0.282494345829621,0.30952299362620794,0.09192310328284559,0.09629223493934617,0.19505816941950518
EOS-3-34697,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nn2)nc1,BHYCNGQCOVOXIT-UHFFFAOYSA-N,3,1,0.461,55,930,435.81,2.805,5,0.384,0.57,0.999,0.640497566993352,0.8130954012747584,0.2958501816188061,0.36308340758001506,0.5281316393667329
EOS-3-34698,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ccc2F)nn1,MJSYBHMXHQFBAI-UHFFFAOYSA-N,3,1,0.494,59,772,465.851,4.462,5,0.378,0.68,1.0,0.8733637173600165,0.8671269960934823,0.8732951819614831,0.8712219861558494,0.871251970392708
EOS-3-34699,Fc1ncccc1-c1cccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,PMMQMFXSNALBQI-UHFFFAOYSA-N,3,1,0.578,1,31,432.846,4.62,5,0.377,0.74,1.0,0.6770526351860736,0.7718799259817696,0.8353437050236447,0.8497361387156467,0.7835031012267836
EOS-3-34700,Cc1ccc(-c2nnc3cncc(-c4c(-c5cc(F)c(F)cc5F)nc(C)n4C)n23)cn1,CXZMLNNCYGSVFN-UHFFFAOYSA-N,3,1,0.361,22,844,435.413,4.288,5,0.396,0.67,0.939,0.3295267630731273,0.4010777191419368,0.7248046741141799,0.722097525872113,0.5443766705503392
EOS-3-34701,Cn1cnc(-c2ccnc(Oc3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)n2)n1,PKJLOKOLBCKRGL-UHFFFAOYSA-N,3,1,0.367,56,415,451.454,2.57,6,0.388,0.6,1.0,0.35068706737029676,0.18925193612500857,0.09193167020766226,0.05740696319649099,0.17231940922486463
EOS-3-34702,CCn1cc(-c2cc(F)cc(-c3nnc4cncc(COc5cccc(C)n5)n34)c2)cn1,YHUGNGMBBGAPDT-UHFFFAOYSA-N,3,1,0.378,14,351,429.459,4.096,5,0.404,0.65,1.0,0.28512439174833804,0.3336131862106778,0.516893975738469,0.4136710986224385,0.38732566307998084
EOS-3-34703,Cc1cc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cc(-c2ccnc(CF)c2)n1,SWNIPQWBAFZLEQ-UHFFFAOYSA-N,3,1,0.528,4,43,445.433,4.139,5,0.388,0.62,1.0,0.5835018161880612,0.5502964155986567,0.6614265643204715,0.592454252621479,0.5969197621821671
EOS-3-34704,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(F)n5)n34)ncn2)cc1,NNYWEGNARVLBNL-UHFFFAOYSA-N,3,1,0.413,44,488,436.357,3.035,5,0.387,0.61,1.0,0.7404650126790487,0.7323007333287643,0.6112415187444314,0.6399407168802687,0.6809869954081283
EOS-3-34705,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cc2)n1,GBNKACMCRMEORF-UHFFFAOYSA-N,3,1,0.512,67,722,463.505,4.088,6,0.38,0.7,1.0,0.3552532382975807,0.212528270851895,0.2886453978479885,0.2166318278390789,0.26826468370913575
EOS-3-34706,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nc2F)nc1,XBXVULNHTORRQW-UHFFFAOYSA-N,3,1,0.461,73,775,452.812,3.549,5,0.373,0.62,0.998,0.6891148653279419,0.7589524364334178,0.5601569460626413,0.6137687615653485,0.6554982523473374
EOS-3-34707,Fc1ccc(COc2cnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)cc1F,XBURERHYJARDBE-UHFFFAOYSA-N,3,1,0.477,22,294,468.374,3.833,5,0.347,0.72,0.355,0.7525700774450004,0.867135563018299,0.8649338633404153,0.8364060037009116,0.8302613768761566
EOS-3-34708,FCCn1cncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1F,GBMUIHQGLGGFIV-UHFFFAOYSA-N,3,1,0.418,26,911,468.855,3.786,5,0.358,0.7,1.0,0.6037882941539305,0.6172812007401823,0.5894044273867453,0.6252141731204167,0.6089220238503187
EOS-3-34709,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)c2)co1,WBTJGUQZYXZIRW-UHFFFAOYSA-N,3,1,0.598,11,684,416.416,3.91,5,0.414,0.77,1.0,0.8012730450277569,0.7137876087999452,0.6141628401069152,0.5348074155301213,0.6660077273661846
EOS-3-34710,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)c1F,QUGPKOFAEWRKQY-UHFFFAOYSA-N,3,1,0.506,75,496,437.435,3.605,5,0.401,0.6,1.0,0.6979644986635597,0.645680556507436,0.5233962716743198,0.5279196079775204,0.5987402337057091
EOS-3-34711,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(F)cn2)nn1,WVARAFJJADYGDD-UHFFFAOYSA-N,3,1,0.506,73,134,454.828,3.492,5,0.401,0.6,1.0,0.5638150229593585,0.7968867795216229,0.7275289562058803,0.7690785415667192,0.7143273250633952
EOS-3-34712,COc1cc(-c2nnc3cncc(OCc4ccnc(-c5cnn(C)c5C)c4)n23)ccc1Cl,IFYLANLSKNMIJY-UHFFFAOYSA-N,3,1,0.495,16,67,461.913,4.136,5,0.375,0.71,1.0,0.5427660886848057,0.6261822356247002,0.5862860667534782,0.4641302857926119,0.5548411692138989
EOS-3-34713,Clc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)cn2)nc1,NXCLZJBVTVACLD-UHFFFAOYSA-N,3,1,0.527,65,263,465.304,3.967,5,0.371,0.66,1.0,0.8753426769926667,0.9100644232746213,0.48526488931533135,0.5801607155095607,0.7127081762730451
EOS-3-34714,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c(F)c1,VKFFQJCJBIXAFM-UHFFFAOYSA-N,3,1,0.537,24,912,416.391,4.106,5,0.429,0.74,1.0,0.8667329175519156,0.7461877184565828,0.8560071276814475,0.8461637310670962,0.8287728736892606
EOS-3-34715,Cn1cncc1COCc1ccc(-c2nnc3cncc(-c4cn(-c5cncnn5)nn4)n23)cc1,FROLXNAYFLTADE-UHFFFAOYSA-N,3,1,0.33,99,312,466.469,1.674,6,0.341,0.65,0.994,0.09541840860804605,0.08855630182989514,0.1382787334658351,0.1229782057432664,0.11130791241176068
EOS-3-34716,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5ccccc5C#N)c4)n23)cc(C)n1,CGYYRAGSQOLAOD-UHFFFAOYSA-N,3,1,0.53,1,347,432.487,4.921,5,0.392,0.76,1.0,0.6770612021108903,0.48589027482694813,0.8208741690082928,0.7536495099719005,0.6843687889795079
EOS-3-34717,OCc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)o1,NBKJBLVYMBGEIN-UHFFFAOYSA-N,3,1,0.5,65,142,416.401,1.745,5,0.417,0.74,1.0,0.357746213419231,0.2432406963196491,0.10156946062641355,0.08847063258172846,0.19775675073675555
EOS-3-34718,CCc1ccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(OC)c4)n23)s1,HLRVENMIIILLPC-UHFFFAOYSA-N,3,1,0.505,15,248,446.536,4.403,5,0.369,0.75,1.0,0.3713162223288328,0.27879343430882053,0.32868720444109384,0.17144129943115619,0.28755954012747587
EOS-3-34719,Cc1ccc(-c2nnc3cncc(-c4cccc(-c5cncn5C)n4)n23)c(-c2ncccn2)n1,YNHZRPLTKIAKAB-UHFFFAOYSA-N,3,1,0.272,76,557,446.478,3.414,6,0.405,0.56,1.0,0.08347611541361113,0.028913371256253855,0.1261993694743335,0.11830066479336578,0.08922238023439107
EOS-3-34720,Cn1nc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)cc1Cl,HLWOWYJXROXTPI-UHFFFAOYSA-N,3,1,0.506,72,31,435.85,3.958,5,0.389,0.66,1.0,0.42985401960112396,0.5503049825234734,0.6882153382221917,0.7115944760468782,0.5949922040984168
EOS-3-34721,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(C)n5)n34)nn2C)nn1,BTIDXZVVHSVYAG-UHFFFAOYSA-N,3,1,0.404,53,477,445.462,2.754,5,0.393,0.62,0.993,0.36435131245288194,0.2736618463436365,0.1120639435268316,0.08665444452059488,0.20918288671098623
EOS-3-34722,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4Cl)n23)n1,VHNADCNIGHYLRD-UHFFFAOYSA-N,3,1,0.462,4,464,419.836,2.907,5,0.432,0.65,1.0,0.5044376670550339,0.5889932149955452,0.18531115070934137,0.1906569117949421,0.3673497361387157
EOS-3-34723,COc1c(F)ccnc1COc1cncc2nnc(-c3cccc(-c4cnnn4C)c3)n12,VDQUJUJCMVZOIL-UHFFFAOYSA-N,3,1,0.489,36,638,432.419,2.709,5,0.403,0.59,1.0,0.4206445754232061,0.41038996641765474,0.3471917620450963,0.25768453156055104,0.35897770886162705
EOS-3-34724,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,KYDJDHLAQTVXAB-UHFFFAOYSA-N,3,1,0.433,18,531,462.876,3.761,5,0.351,0.67,1.0,0.7815434171749709,0.7137961757247618,0.48882016311424853,0.5179391405661024,0.6255247241450209
EOS-3-34725,CCn1cc(-c2cc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)ncn2)cn1,WUMOAGGNPVDMRU-UHFFFAOYSA-N,3,1,0.262,94,566,446.478,3.589,6,0.395,0.59,0.997,0.05997704064149133,0.012267836337468302,0.18848947981632513,0.204869440065794,0.1164009492152697
EOS-3-34726,CC(C)(O)c1ncc(-c2nnc3cncc(-c4cccc(-n5ncc(-c6ccccc6)n5)n4)n23)cn1,OPKPJIRWNMMACO-UHFFFAOYSA-N,3,1,0.299,30,342,476.504,3.118,6,0.398,0.64,0.998,0.042354876293605646,0.052283942156123635,0.11506236721266534,0.07018024809814269,0.06997035844013433
EOS-3-34727,Fc1ccc(-c2cccnc2)nc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,DPZMSKNCHUBOCD-UHFFFAOYSA-N,3,1,0.494,27,69,449.396,4.299,5,0.382,0.68,0.997,0.809265985881708,0.872729764923583,0.8498903433623467,0.792500514015489,0.8310966520457816
EOS-3-34728,Cn1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccc2F)c1,SWZFZBFWODUBHC-UHFFFAOYSA-N,3,1,0.628,59,607,452.852,4.702,5,0.386,0.7,1.0,0.9543639915016106,0.9511942293194435,0.946850798437393,0.9443663902405592,0.9491938523747516
EOS-3-34729,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)n1,CQSAOENRIPTZRY-UHFFFAOYSA-N,3,1,0.366,20,279,463.864,3.156,5,0.374,0.62,1.0,0.6492786649304366,0.6261908025495169,0.2412446028373655,0.2993968884929066,0.45402773970255644
EOS-3-34730,COc1cc(-c2ccncn2)ccc1-c1nnc2cncc(-c3cccc(-c4ncccn4)n3)n12,ROUASCCQUIWRJC-UHFFFAOYSA-N,3,1,0.326,32,557,459.473,3.776,6,0.38,0.6,1.0,0.27973579603865395,0.048694400657939826,0.3359605236104448,0.2695411555068193,0.2334829689534645
EOS-3-34731,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4Oc4ccccc4)n23)c(F)c1,WLFMDGKGOHQPCW-UHFFFAOYSA-N,3,1,0.368,30,298,464.464,4.58,6,0.368,0.72,1.0,0.32953532999794394,0.4241741484476732,0.5199695017476527,0.5147094099102186,0.4470970975258721
EOS-3-34732,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(C#N)cn5)s4)n23)nc1,YTYWMWFSYCTQGC-UHFFFAOYSA-N,3,1,0.425,33,62,427.453,2.859,5,0.416,0.61,1.0,0.5427746556096223,0.4417192104722089,0.10425090809403056,0.10252038928106368,0.2978162908642314
EOS-3-34733,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)cn2)s1,RQORZZYRSHCXDO-UHFFFAOYSA-N,3,1,0.516,58,981,452.45,3.308,5,0.362,0.67,0.722,0.695068878075526,0.7589610033582346,0.29585874854362276,0.2903673497361387,0.5100639949283805
EOS-3-34734,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cc1,OPQXGZMVIOQVCH-UHFFFAOYSA-N,3,1,0.352,93,220,434.488,4.434,6,0.405,0.66,1.0,0.08819649098759509,0.11647590980741553,0.3585258035775478,0.4452573504214927,0.2521138886985128
EOS-3-34735,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)nc1,OJQLRMDASWSGMI-UHFFFAOYSA-N,3,1,0.314,38,983,434.488,4.434,6,0.405,0.66,1.0,0.13759337948050168,0.16405661023918855,0.3996470426975533,0.4038020012336372,0.2762747584127202
EOS-3-34736,COc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)c2)cn1,UXNUVQRBBPHNJH-UHFFFAOYSA-N,3,1,0.407,92,36,429.444,2.273,5,0.4,0.6,1.0,0.2122883969570283,0.11985984510999931,0.12086217531354945,0.05051915564389007,0.1258823932561168
EOS-3-34737,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)ccn2)cc1,DWQBKIDCERCSIJ-UHFFFAOYSA-N,3,1,0.573,97,89,450.836,4.759,5,0.359,0.75,1.0,0.9416421081488588,0.9197793160167227,0.9312846960455075,0.9368274964018916,0.9323834041532452
EOS-3-34738,Fc1cnccc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ncn1,BTEAWKBISXJETR-UHFFFAOYSA-N,3,1,0.441,18,194,448.849,3.452,5,0.364,0.62,0.968,0.7613254746076349,0.665153176615722,0.5957268179014461,0.6310568158453841,0.6633155712425468
EOS-3-34739,Clc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)cn2)cn1,WEVPQJIPZLAFNI-UHFFFAOYSA-N,3,1,0.321,42,191,453.853,4.014,6,0.364,0.69,1.0,0.26380131587965183,0.3095315605510246,0.4068775272428209,0.4609605236104448,0.36029273182098553
EOS-3-34740,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)ccn1,HCTDQFUSYUGZEB-UHFFFAOYSA-N,3,1,0.468,6,597,462.477,3.018,6,0.367,0.62,0.999,0.27177712288396955,0.1447724624768693,0.1692053320540059,0.13372112946336784,0.17986901171955316
EOS-3-34741,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnncc4-c4ccncc4)n23)cc1,IJOKOFQWRTVPMY-UHFFFAOYSA-N,3,1,0.46,56,415,462.477,3.018,6,0.367,0.62,1.0,0.4389777945308752,0.20293331505722706,0.3325851552326777,0.2754780344047701,0.3124935748063875
EOS-3-34742,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(C)O)cc5)n34)ncn2)n(C)n1,FTUQGGWFMRCVSM-UHFFFAOYSA-N,3,1,0.478,89,463,442.483,2.923,5,0.427,0.62,1.0,0.36223528202316496,0.20760228908231101,0.42110718936330616,0.26064868754711806,0.31289836200397503
EOS-3-34744,c1cnn(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)nn2)c1,VYQKPDARVJRBOY-UHFFFAOYSA-N,3,1,0.462,40,932,448.45,2.803,6,0.378,0.59,1.0,0.3169590843670756,0.23785210060996503,0.22318552532382976,0.20173394558289356,0.244932663970941
EOS-3-34745,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccccn6)n5)n34)cc2)o1,CJSAMGPEEHRYPW-UHFFFAOYSA-N,3,1,0.533,40,25,462.473,4.186,6,0.359,0.71,1.0,0.47194332122541294,0.41511034199163865,0.3030121307655404,0.2311099307792475,0.3552939311904599
EOS-3-34746,Clc1nccc(CCOc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)n1,MBPSTPGDKDKXRR-UHFFFAOYSA-N,3,1,0.505,15,202,430.859,3.313,5,0.378,0.61,1.0,0.7318038516893975,0.7846789116578713,0.4100558563498047,0.4359194023713248,0.5906145055170996
EOS-3-34747,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cc1Cl,DLQDZUDPVPDEGC-UHFFFAOYSA-N,3,1,0.5,88,503,464.863,4.801,5,0.359,0.75,1.0,0.8940699746419025,0.855270372147214,0.9179716948804058,0.9308820505791241,0.8995485230621616
EOS-3-34749,N#Cc1cccc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ncn2)c1,ONGLATZKXCOPNR-UHFFFAOYSA-N,3,1,0.367,44,616,425.839,4.566,5,0.415,0.7,0.995,0.664844767322322,0.6556695908436707,0.8262970324172435,0.8631262422040984,0.7524844081968336
EOS-3-34750,c1ccc(-c2ncnnc2COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,IYQREHKSBDVTKI-UHFFFAOYSA-N,3,1,0.449,40,50,459.473,3.679,6,0.368,0.62,1.0,0.4771177438146803,0.3677352477554657,0.3065245699403742,0.3241810019875266,0.3688896408745117
EOS-3-34751,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5ccnc(C#N)n5)ncn4)n23)cn1,FTLCRWYTCAFGJV-UHFFFAOYSA-N,3,1,0.363,7,828,423.4,1.587,5,0.405,0.6,1.0,0.43898636145569186,0.3677438146802824,0.08479542183537797,0.05592488520320746,0.2368626207936399
EOS-3-34752,Cc1scnc1CN1CCC(c2cncc3nnc(-c4cccc(-c5cocn5)c4)n23)C1,JYAPATCJUQLBIS-UHFFFAOYSA-N,3,1,0.35,52,257,443.536,4.201,6,0.402,0.64,1.0,0.04668117332602289,0.052292509080940304,0.017810636693852376,0.0685011308340758,0.046321362483722844
EOS-3-34753,COCc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)nn2C)cn1,JSJXTHKJASVQRS-UHFFFAOYSA-N,3,1,0.516,31,235,448.512,2.811,5,0.357,0.68,1.0,0.18446302515249127,0.10407100267288054,0.06494585703515866,0.043845521211705846,0.09933135151805908
EOS-3-34754,COc1cc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)ccc1-c1nccn1C,GYMZRIZQOBADCY-UHFFFAOYSA-N,3,1,0.49,27,248,464.436,3.507,5,0.36,0.67,1.0,0.5351415255979713,0.4552635186073607,0.47472757179082997,0.27851072578987046,0.4359108354465081
EOS-3-34755,Fc1cc(OCc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)ccc1Cl,FBEXGSUCOQNNFP-UHFFFAOYSA-N,3,1,0.457,57,18,431.858,5.225,5,0.381,0.8,1.0,0.6317250359810842,0.7045096292234939,0.9383866767185252,0.9474247824001096,0.8055115310808032
EOS-3-34756,Cc1nsc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)nc2)n1,JEIVMRKQWCMJLS-UHFFFAOYSA-N,3,1,0.418,51,48,451.903,3.078,5,0.383,0.64,1.0,0.4507316153793434,0.5178620382427523,0.03594681653073813,0.05179562744157357,0.2640840243986019
EOS-3-34757,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cn1,QONPFRKWDGQKOV-UHFFFAOYSA-N,3,1,0.712,91,781,460.9,4.971,5,0.356,0.79,1.0,0.9264615173737235,0.9234459598382565,0.8432852443286958,0.8283959289973272,0.8803971626345007
EOS-3-34758,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ncn4)n23)ccn1,IZLWBDOSIBKIQD-UHFFFAOYSA-N,3,1,0.44,18,578,432.394,2.938,5,0.377,0.59,1.0,0.7131793571379618,0.55031354944829,0.5957353848262628,0.5705743266397094,0.607450654513056
EOS-3-34759,C#Cc1ncc(F)cc1COc1cncc2nnc(-c3cncc(-c4ccccn4)c3)n12,ANMKPCMHDKCYDS-UHFFFAOYSA-N,3,1,0.442,2,422,423.411,3.343,5,0.401,0.65,1.0,0.8143547392228085,0.670130559934206,0.6526797340826537,0.5954098416832294,0.6831437187307244
EOS-3-34760,c1cc(-c2cnco2)nc(-c2cncc3nnc(-c4nccnc4-c4cccs4)n23)c1,FWGBHUBYMGMRQW-UHFFFAOYSA-N,3,1,0.269,76,114,424.449,4.027,6,0.417,0.65,0.853,0.0908008361318621,0.10090124049071346,0.13828730039065176,0.1851483791378247,0.128784439037763
EOS-3-34761,Cc1ocnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cn1,BIFMJZFLPKUTMD-UHFFFAOYSA-N,3,1,0.274,30,543,433.435,3.669,6,0.41,0.57,0.747,0.0857977520389281,0.048702967582756496,0.13829586731546845,0.1797169488040573,0.11312838393530258
EOS-3-34762,Fc1cccc(-c2n[nH]cc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)n1,MEVASLZVQONFAL-UHFFFAOYSA-N,3,1,0.333,69,299,434.438,4.445,6,0.412,0.66,0.994,0.25061681858680007,0.3386505380028785,0.6936639024055925,0.7273747515591803,0.5025765026386129
EOS-3-34763,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnccn5)n4)n23)cc1Cl,HJNYJEFJEFITFA-UHFFFAOYSA-N,3,1,0.371,85,81,448.317,4.849,5,0.391,0.68,1.0,0.3622438489479816,0.3912685902268522,0.6911195257350421,0.7832139675142211,0.5569614831060242
EOS-3-34764,Cc1nc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)n1C,LJQMLFIQSJCAMZ-UHFFFAOYSA-N,3,1,0.523,15,320,446.902,3.565,5,0.393,0.63,1.0,0.7102494688506613,0.6603214310191213,0.135006168185868,0.15279967103008704,0.4145941847714344
EOS-3-34765,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccc2F)cn1,GCQZZVAVGQYWJN-UHFFFAOYSA-N,3,1,0.533,37,141,461.888,4.366,5,0.371,0.67,1.0,0.9145020903296552,0.931995750805291,0.6691539305051059,0.6744311561921733,0.7975207319580563
EOS-3-34766,Cn1cnc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)c1,QDNOYHLTMPSGNE-UHFFFAOYSA-N,3,1,0.455,2,422,418.848,3.214,5,0.432,0.65,1.0,0.5864402714001782,0.522539579192653,0.5301812761291207,0.5078130354328011,0.5367435405386882
EOS-3-34767,Cn1cc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)c(C2CCCCO2)n1,BOFNTFZCUTYHBZ-UHFFFAOYSA-N,3,1,0.294,82,800,439.483,3.285,6,0.42,0.64,0.772,0.01908710849153588,0.016397094099102186,0.014769378383935303,0.043854088136522515,0.023526917277773972
EOS-3-34768,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cs2)n1,HJLDXWYQDFVMRL-UHFFFAOYSA-N,3,1,0.435,92,587,437.876,3.036,5,0.408,0.59,1.0,0.4114008635460215,0.45527208553217735,0.08967000205606196,0.11830923171818244,0.2686630457131108
EOS-3-34769,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)c(Cl)c2)n1,INALYGVOEFSJMF-UHFFFAOYSA-N,3,1,0.338,32,572,456.853,4.52,6,0.376,0.7,1.0,0.30912034815982453,0.38205914604893426,0.4134826262764718,0.44851278185182647,0.3882937255842642
EOS-3-34770,Cc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)n1,RJISMRWWWGAXGS-UHFFFAOYSA-N,3,1,0.553,84,752,461.888,4.366,5,0.371,0.68,1.0,0.7955846069494894,0.8424713864711123,0.6719296141457063,0.677480981426907,0.7468666472483038
EOS-3-34771,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)n1,BCHSOOMSUWLLOP-UHFFFAOYSA-N,3,1,0.354,38,983,424.449,4.027,6,0.417,0.64,1.0,0.16777465560962238,0.1983414433554931,0.2848845178534713,0.28712905215543827,0.23453241724350626
EOS-3-34772,c1csc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)c1,LWXRXFZPJCBXBW-UHFFFAOYSA-N,3,1,0.271,70,114,424.449,4.027,6,0.417,0.64,0.992,0.12097354533616612,0.16796312795558907,0.1383044342402851,0.17401994380097321,0.1503152628332534
EOS-3-34773,O=C(NCCO)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)cc1,FHEDIVBCXNCOES-UHFFFAOYSA-N,3,1,0.467,0,646,407.861,2.758,4,0.512,0.8,1.0,0.3761479679254335,0.35817455966006445,0.5503820848468234,0.537728736892605,0.4556083373312316
EOS-3-34774,Cc1nnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)c2)s1,VGMJNORGZXBRGZ-UHFFFAOYSA-N,3,1,0.552,37,628,467.917,4.427,5,0.365,0.71,1.0,0.6583681721609211,0.7415872798300323,0.49887773284901654,0.5705828935645261,0.617354019601124
EOS-3-34775,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cn(C)nc5C)n4)n23)c(F)n1,XPSAJDHTWBTBPW-UHFFFAOYSA-N,3,1,0.467,4,677,430.447,3.317,5,0.395,0.62,1.0,0.3898721814817353,0.4103985333424714,0.27369611404290317,0.18789836200397506,0.3154662977177713
EOS-3-34776,CC(C)(C)c1ccc(-c2nnc3cncc(-c4ccc(C(C)(C)C(=O)N5CCOCC5)cc4)n23)cn1,OTQDZYRCASZKJP-UHFFFAOYSA-N,3,1,0.361,0,829,484.604,4.287,5,0.43,0.9,1.0,0.08580631896374477,0.019515454732369267,0.06921218559385924,0.04144678226303886,0.053995185388253035
EOS-3-34777,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nc1Cl,HJSZCCIBECIIQC-UHFFFAOYSA-N,3,1,0.432,24,379,440.851,3.471,5,0.382,0.68,1.0,0.6617264066890549,0.732309300253581,0.32508052909327667,0.3726355287505997,0.5229379411966281
EOS-3-34778,Cc1nc(-c2ccccn2)cc(-c2nnc3cncc(OCCc4cc(F)cc(F)n4)n23)n1,YWLWMMKFEBJRRK-UHFFFAOYSA-N,3,1,0.442,58,531,446.421,3.246,5,0.366,0.62,0.968,0.7008515523267768,0.517870605167569,0.317850044548009,0.32753923651566036,0.46602785963950377
EOS-3-34779,c1cnc(-c2cncnc2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)c1,DVIUSNKQSQSUST-UHFFFAOYSA-N,3,1,0.268,42,339,419.408,3.36,6,0.423,0.63,1.0,0.14299910903981908,0.11072750325543143,0.33259372215749433,0.34354225207319583,0.23246564663148517
EOS-3-34780,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnccc4-c4ccccc4)n23)c1,YYRSQGONSOREAR-UHFFFAOYSA-N,3,1,0.318,30,365,446.449,4.511,6,0.393,0.64,0.999,0.2506253855116167,0.29943115619217325,0.4817952847645809,0.6252227400452334,0.41426864162840105
EOS-3-34781,OCc1noc(-c2cncc(COc3cncc4nnc(-c5ccccc5F)n34)c2)n1,YGOHEEJBXVZIEJ-UHFFFAOYSA-N,3,1,0.506,16,256,419.376,2.447,5,0.442,0.66,1.0,0.5248954835172367,0.5225481461174697,0.3286957713659105,0.3307346994722774,0.4267185251182236
EOS-3-34782,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)cn1,NNGHHQKJCVDSQU-UHFFFAOYSA-N,3,1,0.408,80,816,453.426,2.006,6,0.364,0.6,1.0,0.3918939757384689,0.19835001028030977,0.057115687752724284,0.04014460969090535,0.17187607086560208
EOS-3-34783,Cc1ccc(-c2nnc3cncc(OCc4c(Cl)ccc(Cl)c4Cl)n23)cn1,CZVJBKJRTYSEQE-UHFFFAOYSA-N,3,1,0.538,90,255,420.687,5.034,4,0.433,0.82,1.0,0.8667414844767323,0.8942755808375026,0.9391834007264752,0.9590758001507779,0.9148190665478719
EOS-3-34784,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cn[nH]c4-c4ccnc(F)c4)n23)nc1,PMXAOPOHJPHNIV-UHFFFAOYSA-N,3,1,0.264,70,652,438.43,3.178,6,0.42,0.6,0.983,0.11580768967171544,0.217454252621479,0.4920156260708656,0.482437804125831,0.3269288431224728
EOS-3-34785,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccc2Cl)nn1,HMGDMYUROBGZIA-UHFFFAOYSA-N,3,1,0.533,37,125,467.32,3.91,5,0.374,0.68,1.0,0.6648533342471387,0.7761376876156535,0.5234048385991364,0.6165444452059489,0.6452350764169693
EOS-3-34786,Cc1ncc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)cn5)n34)cn2)nn1,WYNQOKLVPYDBRB-UHFFFAOYSA-N,3,1,0.361,85,674,416.836,2.381,5,0.434,0.64,1.0,0.2584127201699678,0.3246007813035433,0.10157802755123022,0.13569152217120142,0.2050707627989857
EOS-3-34787,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-n5ccnc5)cc4)n23)cn1,NHLXDFVTQYNFOC-UHFFFAOYSA-N,3,1,0.354,85,290,410.441,2.322,5,0.477,0.74,1.0,0.08820505791241176,0.03181755876910424,0.2484579535329998,0.1687255842642725,0.13430153861969707
EOS-3-34788,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(COc4cccnc4)cn3)n12,VMKQTNPWPJDREP-UHFFFAOYSA-N,3,1,0.529,73,401,463.86,3.927,5,0.358,0.68,1.0,0.8712476869302995,0.9364419847851415,0.6828438763621411,0.67443972311699,0.791243317798643
EOS-3-34789,Fc1ncc(-c2nc(CCOc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)nn1,PYKQWMXTKSORRT-UHFFFAOYSA-N,3,1,0.396,54,915,467.827,2.986,5,0.371,0.6,0.89,0.7757436090740868,0.8131039681995751,0.32870433829072715,0.42629874580220684,0.585962665341649
EOS-3-34790,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ncc(Cl)cn1,RTTIOUMAHSTZBO-UHFFFAOYSA-N,3,1,0.562,73,82,468.279,4.668,5,0.37,0.75,1.0,0.9315331368651909,0.9650640805976287,0.6911280926598589,0.7970238503186896,0.846187290110342
EOS-3-34791,c1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cnn2)nc1,WCJUCMKJJOAYKI-UHFFFAOYSA-N,3,1,0.419,80,277,461.449,2.469,6,0.361,0.62,0.999,0.5169368103625522,0.39591186347748614,0.14412994311561922,0.12522274004523337,0.2955503392502228
EOS-3-34792,Fc1cncc(-c2ncccc2-c2nnc3cncc(Cc4cnnc(Cl)c4)n23)c1,YDHWSTGERWKFOB-UHFFFAOYSA-N,3,1,0.34,85,81,418.823,3.422,5,0.441,0.63,0.432,0.35288020012336374,0.39127715715166883,0.5301898430539373,0.6399492838050853,0.4785741210335138
EOS-3-34793,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5cccnc5F)c4)n23)c1,QYZNWSLNLISJPU-UHFFFAOYSA-N,3,1,0.49,2,35,465.851,4.196,5,0.347,0.73,1.0,0.884954766636968,0.9140394763895552,0.8263055993420602,0.8441847714344459,0.8673711534507573
EOS-3-34794,Cc1cc(-c2nnc3cncc(OCc4nnc(-c5ccc(F)cn5)s4)n23)ccc1Cl,GVTPGNKBAYSLCJ-UHFFFAOYSA-N,3,1,0.472,4,483,453.89,4.385,5,0.39,0.71,1.0,0.6676975532862723,0.8054794051127407,0.41732917551915566,0.5314406140771709,0.6054866869988349
EOS-3-34795,Fc1cccc(-c2cc(Cc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)cnn2)c1,VIIIZZSZFPGLMB-UHFFFAOYSA-N,3,1,0.364,14,315,433.397,4.311,5,0.411,0.6,0.46,0.2797443629634706,0.44172777739702557,0.8953892810636694,0.8989788225618532,0.6289600609965047
EOS-3-34796,Clc1cncc(OCc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)c1,GWBACRHOSCLJSY-UHFFFAOYSA-N,3,1,0.392,14,351,414.856,4.481,5,0.422,0.81,1.0,0.4554005894044274,0.46824240970461245,0.7731478308546365,0.8057107120827908,0.6256253855116167
EOS-3-34797,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5cc(F)ncc5F)cn4)n23)ccn1,LRAQIHOTKZOTBK-UHFFFAOYSA-N,3,1,0.451,51,969,432.394,3.204,5,0.39,0.63,1.0,0.7072767459392776,0.6077547803440477,0.5957439517510794,0.527928174902337,0.6096759132341854
EOS-3-34798,Cc1cnc(-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)c(-c2cnn(C)c2)c1,YLJNAMXBDHXCAW-UHFFFAOYSA-N,3,1,0.25,99,601,450.47,2.148,6,0.396,0.56,1.0,0.03257144815297101,0.013587142759235145,0.03331677061202111,0.03351380988280447,0.028247292851757935
EOS-3-34799,CC#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4OC)n23)cn1,PRSFAAOXXBJJOB-UHFFFAOYSA-N,3,1,0.458,4,61,449.474,3.602,5,0.363,0.66,1.0,0.36684428757453225,0.17659002124597353,0.4818038516893976,0.31201596874785825,0.33431353231444044
EOS-3-34800,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6noc(C)n6)cc5)n34)nn2)n(C)n1,ONQWQVHWNWPYRI-UHFFFAOYSA-N,3,1,0.371,67,622,466.465,3.441,6,0.372,0.67,1.0,0.37132478925364953,0.23274621341923105,0.09411623603591254,0.05593345212802413,0.18853017270920433
EOS-3-34801,N#Cc1cc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cnc1F,LANTYHPUZFCSHU-UHFFFAOYSA-N,3,1,0.618,90,555,415.215,4.083,4,0.467,0.72,1.0,0.9663662531697622,0.9739394147076965,0.9639075457473785,0.9709409910218628,0.9687885511616751
EOS-3-34803,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nc1,GYWBIKIPYNPTCL-UHFFFAOYSA-N,3,1,0.511,18,181,413.416,3.404,5,0.421,0.73,1.0,0.6262250702487835,0.5270800493454869,0.44326982386402575,0.4452659173463094,0.5104602152011515
EOS-3-34804,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccs6)c5)n34)cc2)nn1,LWGAUUBGDQZHMM-UHFFFAOYSA-N,3,1,0.317,98,150,425.481,3.501,6,0.429,0.61,1.0,0.008112877801384415,0.0640548968542252,0.2521331642793503,0.2606572544719348,0.14623954835172367
EOS-3-34805,c1ccc(-c2ncc(-c3nnc4cncc(OCc5cccc(-c6ncns6)n5)n34)cn2)nc1,XLACDZPSIZDCLS-UHFFFAOYSA-N,3,1,0.474,80,597,466.49,3.136,6,0.361,0.68,1.0,0.33679151531766155,0.3199061065040093,0.07557741073264342,0.0722534439037763,0.20113211911452267
EOS-3-34806,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)c5)n34)cc2F)n1,HSMXNCUNZSGWSC-UHFFFAOYSA-N,3,1,0.512,27,51,470.39,3.719,5,0.361,0.69,1.0,0.7345966691796313,0.8090775135357412,0.9279093276677404,0.8243437735590432,0.823981820985539
EOS-3-34807,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4nncc(C)c4F)n23)c1,ZGKZQCUCHYHUQI-UHFFFAOYSA-N,3,1,0.386,92,905,431.435,2.886,5,0.404,0.6,0.997,0.2988143376053732,0.3484939346172298,0.24846652045781648,0.19592557055719279,0.272925090809403
EOS-3-34808,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)cc2F)cn1,SQKACZURIQWPCW-UHFFFAOYSA-N,3,1,0.529,37,563,467.867,4.14,5,0.373,0.68,1.0,0.7613340415324515,0.7930830649030224,0.8516122952504969,0.8461722979919128,0.813050424919471
EOS-3-34809,N#CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c(F)c1,QGENSQDRTFQNBR-UHFFFAOYSA-N,3,1,0.455,26,589,458.432,3.473,5,0.368,0.63,0.986,0.8065331368651909,0.6603299979439381,0.740250839558632,0.7247447056404633,0.7329646700020561
EOS-3-34810,Cc1c[nH]c(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2F)c1,KFBUJOSDLKRCFM-UHFFFAOYSA-N,3,1,0.308,3,668,435.466,5.087,6,0.419,0.74,1.0,0.024312932629703243,0.22287711603042973,0.8319597697210609,0.8364145706257282,0.4788910972517305
EOS-3-34811,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)ccc1Cl,GPXQBDGGDZWLIW-UHFFFAOYSA-N,3,1,0.5,4,534,434.912,4.851,5,0.393,0.75,1.0,0.614916729490782,0.784687478582688,0.6317507367555343,0.6514974984579536,0.6707131108217395
EOS-3-34812,Clc1ccc(-c2cnccn2)c(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c1,YWZKVDQXKPMVTC-UHFFFAOYSA-N,3,1,0.342,42,50,463.892,4.421,6,0.378,0.66,1.0,0.2825029127544377,0.3820677129737509,0.6584966760331711,0.7221060927969296,0.5112933486395723
EOS-3-34813,CCc1cc(-c2nnc3cncc(Oc4ccc(Cl)cn4)n23)ccc1C(=O)NC,PTXFBRMJQJXSFO-UHFFFAOYSA-N,3,1,0.429,90,636,408.849,3.554,4,0.542,0.81,1.0,0.6860393393187582,0.4858988417517648,0.42486806935782334,0.3152285655541087,0.47800870399561374
EOS-3-34815,Cc1ccc(-c2cnc(F)c(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nn1,RKDPJCPQIGKVFG-UHFFFAOYSA-N,3,1,0.389,46,915,448.849,3.718,5,0.375,0.61,0.997,0.7581471455006511,0.7415958467548489,0.5570128846549243,0.5608765677472415,0.6544081111644164
EOS-3-34816,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(C(F)F)cn3)n12,QEBZBAVKCIFOIB-UHFFFAOYSA-N,3,1,0.57,1,666,448.408,4.904,5,0.368,0.79,1.0,0.8012816119525735,0.8810054142964842,0.9432012884654924,0.9203447330546227,0.8864582619422933
EOS-3-34817,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cc5)n34)cc2)nc1,BVOGTFYSYWXPER-UHFFFAOYSA-N,3,1,0.375,69,898,427.471,4.977,6,0.395,0.74,1.0,0.13237612226715098,0.14852477554656981,0.7143187581385786,0.7195360153519292,0.42868891782605717
EOS-3-34818,Cc1cncc(-c2nccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)n2)n1,SJHCVNYUYQSDOV-UHFFFAOYSA-N,3,1,0.287,86,114,445.45,2.866,6,0.399,0.55,0.524,0.07499485984510999,0.028921938181070524,0.043023096429305734,0.05180419436639024,0.049686022205469124
EOS-3-34820,Cn1cncc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)ccc1F,CDSLQNSQXIXZSU-UHFFFAOYSA-N,3,1,0.511,34,10,453.84,4.097,5,0.398,0.63,1.0,0.7195017476526626,0.8458724556233295,0.7907699952025221,0.809882804468508,0.7915067507367555
EOS-3-34821,Clc1cccc(-n2cc(COc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nn2)c1,ZJQAVEDDOTWLJX-UHFFFAOYSA-N,3,1,0.659,40,104,471.868,3.654,6,0.358,0.73,1.0,0.38521177438146803,0.41511890891645536,0.3585343705023645,0.4167551915564389,0.3939050613391817
EOS-3-34822,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nn5)n34)nc2)nn1,GGBNQDYKTBJOLP-UHFFFAOYSA-N,3,1,0.276,99,286,448.454,2.204,6,0.394,0.54,0.976,0.042363443218422316,0.02181139058323624,0.03332533753683778,0.03033548077582071,0.03195891302857926
EOS-3-34823,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)nn1,PIIJSZPKYHMZEU-UHFFFAOYSA-N,3,1,0.408,62,451,481.491,4.38,6,0.383,0.82,1.0,0.5748749228976766,0.43312658488109107,0.41349119320128846,0.40711740113768763,0.4571525255294359
EOS-3-34824,COc1cc(-c2nnc3cncc(CCc4cc(C)nc(-c5cnccn5)n4)n23)ccc1Cl,NMRZSAMZARTVPE-UHFFFAOYSA-N,3,1,0.396,85,580,458.913,3.794,5,0.378,0.63,1.0,0.4868497704064149,0.5454218353779727,0.2268778699198136,0.23702110890274827,0.3740426461517374
EOS-3-34825,COc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1ccccn1,SXCYBVKVVNSYDM-UHFFFAOYSA-N,3,1,0.533,35,777,458.909,4.532,5,0.354,0.7,1.0,0.8792063600849839,0.8090860804605579,0.7016482763347269,0.6458090603796861,0.7589374443149887
EOS-3-34826,Cc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5(c6ccccc6F)CC5)cc4)n23)cn1,VDJWTOATRAPUPC-UHFFFAOYSA-N,3,1,0.437,62,319,479.519,4.039,6,0.395,0.76,1.0,0.27178568980878626,0.3044685079843739,0.4211157562881228,0.4485213487766431,0.3614728257144815
EOS-3-34827,Cc1ccc(-c2nnc3cncc(OCc4nccnc4-c4c(F)cccc4Cl)n23)cc1,SSLLKECISPJLFZ-UHFFFAOYSA-N,3,1,0.518,34,671,446.873,4.928,5,0.381,0.75,1.0,0.8940785415667192,0.9197878829415393,0.7589524364334178,0.7970324172435063,0.8424628195462956
EOS-3-34828,Clc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5)c4)n23)ccn1,YFFXBGMMJJCLSA-UHFFFAOYSA-N,3,1,0.562,11,352,428.883,4.523,5,0.37,0.73,1.0,0.8275906380645603,0.8522890823110136,0.7222859982180796,0.7641097251730519,0.7915688609416763
EOS-3-34829,CC(C)(O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccn5)nc4)n23)cn1,SSGLIFJBLPRMHY-UHFFFAOYSA-N,3,1,0.35,82,514,410.441,2.933,5,0.481,0.76,1.0,0.24505688438078269,0.14853334247138647,0.4068860941676376,0.2282571448152971,0.25718336645877593
EOS-3-34830,Clc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5cocn5)c4)n23)c1,BVFHDURYQVEKEL-UHFFFAOYSA-N,3,1,0.557,11,275,418.844,4.116,5,0.409,0.71,1.0,0.734605236104448,0.6897145500651086,0.5703687204441094,0.607540607223631,0.6505572784593243
EOS-3-34831,Cc1ccccc1-n1cncc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,QOJBIEJXMPRLOX-UHFFFAOYSA-N,3,1,0.288,30,93,429.487,5.014,6,0.394,0.77,1.0,0.020115139469536015,0.041455349187855525,0.6141714070317319,0.6371050647659516,0.32821174011376875
EOS-3-34832,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3nc(Cl)ccc3F)n12,HMBHLGCPXADMRV-UHFFFAOYSA-N,3,1,0.426,16,718,465.876,3.967,5,0.35,0.74,1.0,0.6918477143444589,0.6456891234322527,0.6202710575011994,0.5377373038174217,0.6238862997738331
EOS-3-34834,CCc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cn(C)cn1,NUYKVCKHVSJYEK-UHFFFAOYSA-N,3,1,0.406,31,658,427.472,2.561,5,0.39,0.61,0.959,0.35989651154821467,0.21253683777671167,0.05541943663902406,0.036503666643821535,0.16608911315194297
EOS-3-34835,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)s1,NLKIEBDBJWMCNJ-UHFFFAOYSA-N,3,1,0.324,32,126,435.516,4.982,6,0.39,0.76,1.0,0.08581488588856144,0.09150332396682886,0.48181241861421426,0.4977126310739497,0.28921081488588857
EOS-3-34836,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cn5)n34)n2)nc1,WOXINRONPVHUSN-UHFFFAOYSA-N,3,1,0.313,32,902,465.427,4.046,6,0.384,0.63,1.0,0.30648173531629086,0.3626807621136317,0.5096206565691179,0.5640634637790419,0.43571165444452065
EOS-3-34837,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5cccc(-c6nc[nH]n6)c5)n34)cn2)n1,WBMBJFIVXNVEPN-UHFFFAOYSA-N,3,1,0.279,10,72,436.414,3.235,6,0.418,0.57,1.0,0.22315982454937974,0.2634415050373518,0.3511496813103968,0.3978651223356864,0.3089040333082037
EOS-3-34838,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ncn2)ccn1,KZAJXPOBQQSURI-UHFFFAOYSA-N,3,1,0.408,18,658,429.419,2.524,5,0.385,0.58,0.835,0.4919128229730656,0.319914673428826,0.18531971763415805,0.16325131930642175,0.2900996333356179
EOS-3-34839,Cn1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)c2)cc1=O,TTXPCRMPBNMOCT-UHFFFAOYSA-N,3,1,0.533,84,884,477.887,3.361,5,0.369,0.74,1.0,0.4719518881502296,0.4726458090603797,0.685551024604208,0.7057346994722774,0.5839708553217737
EOS-3-34840,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nn4)n23)n1,GFEBOMJWDNXZML-UHFFFAOYSA-N,3,1,0.453,53,670,417.82,2.666,5,0.397,0.66,0.998,0.45756802138304437,0.5133815365636352,0.19192481666780892,0.26066582139675143,0.35588504900281
EOS-3-34841,Cn1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)c2)n1,FDYLVPSBVVQGPE-UHFFFAOYSA-N,3,1,0.3,42,723,450.441,3.245,6,0.376,0.6,0.979,0.16235179220067164,0.23786066753478172,0.41006442327462134,0.40381056815845384,0.3035218627921321
EOS-3-34842,COCc1nc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)no1,FHBYHCLAKNCDIU-UHFFFAOYSA-N,3,1,0.483,7,420,422.43,2.418,5,0.386,0.64,1.0,0.3064903022411075,0.21746281954629565,0.03333390446165444,0.0247498457953533,0.14550921801110273
EOS-3-34843,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)nc1,PPOZWSCZWJVQHP-UHFFFAOYSA-N,3,1,0.448,80,843,464.453,1.808,6,0.355,0.63,1.0,0.31931498869165925,0.17659858817079022,0.04448804057295593,0.036512233568638204,0.1442284627510109
EOS-3-34844,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cn6)nc5)n34)c2)nc1C,FYLWXSGLIYSOJT-UHFFFAOYSA-N,3,1,0.303,42,106,476.479,3.918,6,0.373,0.71,1.0,0.29350284421903916,0.3289356452607772,0.1919333835926256,0.2192104722088959,0.25839558632033444
EOS-3-34845,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnoc5)cc4)n23)cc1F,PJRFPSMOOUYJAF-UHFFFAOYSA-N,3,1,0.342,69,38,437.438,4.653,6,0.399,0.68,1.0,0.27420156260708656,0.2580529093276677,0.8156312110204921,0.7992255499965732,0.5367778082379548
EOS-3-34846,Cc1c(F)ccc(Cc2cncc3nnc(-c4ccc(C(=O)NCCc5ccccn5)cc4)n23)c1F,CSCYACKLXGTXRC-UHFFFAOYSA-N,3,1,0.391,62,319,484.51,4.336,5,0.372,0.87,1.0,0.3528887670481804,0.25806147625248443,0.7067027619765609,0.6137773284901652,0.4828575834418477
EOS-3-34848,Cc1nnc(-c2cnc(OCc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c(F)c2)o1,PFLJZOKZAPZYQB-UHFFFAOYSA-N,3,1,0.434,27,52,472.362,3.677,5,0.353,0.74,1.0,0.6121924473990816,0.7416044136796656,0.8096943321225413,0.619637105064766,0.6957820745665135
EOS-3-34849,Cc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cncc(F)n5)ncn4)n23)n1,MZJBTUHZMIBMMP-UHFFFAOYSA-N,3,1,0.37,31,296,430.407,1.897,5,0.394,0.58,0.905,0.5696490987595093,0.41965081214447264,0.06302686587622507,0.05890617503940786,0.27780823795490367
EOS-3-34850,c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnnc(-c6nccnn6)n5)n4)n23)cc1,FITSAEUMXGECGS-UHFFFAOYSA-N,3,1,0.5,81,218,461.449,2.469,6,0.361,0.57,0.994,0.42986258652594067,0.33865910492769513,0.06495442395997533,0.07793331505722706,0.22785235761770956
EOS-3-34851,FC(F)(F)Oc1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(Cl)nn5)n4)n23)cc1,CEGYULKONCBHHV-UHFFFAOYSA-N,3,1,0.52,96,121,469.814,4.862,5,0.371,0.78,0.999,0.6523284901651704,0.8522976492358303,0.9573281474881776,0.9418562812692756,0.8509526420396134
EOS-3-34852,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)o1,JZFXOLMLOZPHKM-UHFFFAOYSA-N,3,1,0.269,76,880,422.412,2.699,6,0.421,0.6,0.659,0.0652542663285587,0.00883249948598451,0.05712425467754095,0.0943132753066959,0.05638107394969502
EOS-3-34853,Cn1c(C#N)cnc1-c1cc(F)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,PIKMTBSRFICKTM-UHFFFAOYSA-N,3,1,0.523,7,212,461.848,3.225,5,0.391,0.65,1.0,0.5118994585703516,0.6027516962511137,0.5670447536152423,0.5801692824343774,0.5654662977177712
EOS-3-34854,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(C)s5)n34)cc2F)cnn1,DWEONJHCPSMNCN-UHFFFAOYSA-N,3,1,0.566,16,214,433.472,4.04,5,0.413,0.63,1.0,0.5748834898224933,0.5937050236447124,0.45743095058597766,0.40090638064560347,0.5067314611746967
EOS-3-34855,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(C)nn4C)n23)nc1C,AXPXNARUNNGIBD-UHFFFAOYSA-N,3,1,0.379,31,662,444.503,2.437,5,0.376,0.63,0.994,0.17041326845315605,0.09151189089164553,0.008498389418134467,0.0032982660544171065,0.0684304537043383
EOS-3-34856,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cccc(-c4cncnc4)c3)n12,ITYNVSUGWKXFAI-UHFFFAOYSA-N,3,1,0.494,13,145,418.819,4.833,5,0.416,0.77,1.0,0.7674508258515523,0.8208227674593928,0.9131656500582551,0.9255277225687067,0.8567417414844768
EOS-3-34857,N#Cc1c(F)ccc(COc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)cn4)n23)c1F,ZGRHDDGQBPPLNZ-UHFFFAOYSA-N,3,1,0.415,46,915,460.379,3.511,5,0.391,0.6,1.0,0.8554588444931808,0.8458810225481461,0.8999468850661366,0.8663217051607155,0.8669021143170448
EOS-3-34858,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccncc5)c4)n23)nc1,YNHFQKICFVIDNU-UHFFFAOYSA-N,3,1,0.372,85,647,408.425,2.333,5,0.473,0.82,0.996,0.11310054142964841,0.024141594133369887,0.24847508738263313,0.20174251250771022,0.1468649338633404
EOS-3-34859,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nccn6C)cnn5)n34)cn2)n(C)n1,DTTNKNZLXSKUNZ-UHFFFAOYSA-N,3,1,0.272,99,719,449.482,2.753,6,0.403,0.57,1.0,0.054597011856623946,0.03182612569392091,0.10425947501884723,0.08312487149612775,0.06845187101637996
EOS-3-34860,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4nc(-c5cn[nH]c5)ccc4F)n23)n1C,GCZAZCGKEYANJV-UHFFFAOYSA-N,3,1,0.272,30,541,451.469,4.091,6,0.433,0.63,0.998,0.16236035912548832,0.2580700431773011,0.24472277431293263,0.3059163182783908,0.2427673737235282
EOS-3-34861,Clc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)c1,HLRHKSLBYDFMMK-UHFFFAOYSA-N,3,1,0.354,10,37,451.881,4.149,6,0.397,0.61,0.999,0.013921252827085189,0.13739634020971833,0.39222808580631896,0.517947707490919,0.2653733465835104
EOS-3-34862,Cc1c(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)nc5)n34)cn2)cnn1C,CMAVICCJQVPRFD-UHFFFAOYSA-N,3,1,0.282,86,72,464.468,3.553,6,0.364,0.64,0.951,0.08821362483722843,0.16797169488040573,0.31785861147282574,0.29940545541772323,0.2183623466520458
EOS-3-34863,FCc1cc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ccn2)ccn1,FPCASNAEUIFOFK-UHFFFAOYSA-N,3,1,0.407,75,183,433.834,4.559,5,0.401,0.67,1.0,0.7040898499074772,0.7138047426495785,0.6585052429579878,0.6541960797752039,0.6826489788225619
EOS-3-34864,Cc1ccc(-c2nnc3cncc(CCc4cccc(-c5ccnc(Cl)c5)n4)n23)cc1,JNYCPFRDZLYTBL-UHFFFAOYSA-N,3,1,0.4,14,886,426.911,4.995,5,0.37,0.83,1.0,0.40468439448975396,0.4682509766294291,0.6172983345898156,0.6657100267288054,0.5389859331094511
EOS-3-34865,COc1ncc(C)cc1COc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,XIJLBNCNWNPABA-UHFFFAOYSA-N,3,1,0.444,75,420,426.44,2.934,5,0.404,0.61,1.0,0.43667329175519154,0.1640651771640052,0.18203858542937426,0.09040675759029539,0.2182959529847166
EOS-3-34866,CCn1cc(-c2cncc3nnc(-c4ccc(-c5cnc(C)o5)nc4)n23)c(-c2ccccn2)n1,DATYDINVXJMKQY-UHFFFAOYSA-N,3,1,0.303,70,392,449.478,4.095,6,0.387,0.64,0.998,0.036460832019738196,0.0915204578164622,0.13200774450003427,0.11378589541498184,0.09344373243780413
EOS-3-34867,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nc[nH]n5)cc4)n23)nc1,HRBSZSIXMWJBDP-UHFFFAOYSA-N,3,1,0.382,6,425,464.493,3.434,6,0.381,0.61,0.823,0.3829586731546844,0.24324926324446577,0.2958673154684395,0.21921903913371257,0.28532357275032555
EOS-3-34868,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cccnn5)c4)n23)c(Cl)n1,IPGQEWOCKFMRCE-UHFFFAOYSA-N,3,1,0.552,72,386,465.851,4.196,5,0.347,0.7,1.0,0.9651326159961621,0.9634449318072784,0.8190408470975259,0.8441933383592626,0.8979529333150572
EOS-3-34869,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)nc4)n23)nn1)N1CCOCC1,JZBDZYVHCUZNMX-UHFFFAOYSA-N,3,1,0.402,52,229,483.467,2.317,6,0.354,0.78,0.998,0.07317010485915976,0.019524021657185937,0.005928311973134124,0.02475841272016997,0.030845212802412446
EOS-3-34870,Cc1cncc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)n1,MLZFQFJLBMKYPJ-UHFFFAOYSA-N,3,1,0.3,70,812,446.478,3.414,6,0.405,0.57,1.0,0.08142005345761086,0.07139675142210952,0.1884980467411418,0.16873415118908916,0.12751225070248784
EOS-3-34872,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,FTCBEHIBYIRDJP-UHFFFAOYSA-N,3,1,0.325,32,923,452.865,4.619,6,0.381,0.71,1.0,0.2398053594681653,0.36268932903844836,0.5862946336782948,0.639957850729902,0.4571867932287026
EOS-3-34873,c1ccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)nc1,DXKWTTADEFYEQH-UHFFFAOYSA-N,3,1,0.279,86,935,419.412,2.286,6,0.423,0.62,1.0,0.002861352888767048,0.017990542115002398,0.046269960934822836,0.0667192104722089,0.033460266602700295
EOS-3-34874,COc1ccc(Cc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4Cl)n23)cc1C,KSQKNUIILAIIEA-UHFFFAOYSA-N,3,1,0.406,14,319,444.926,4.753,5,0.391,0.73,1.0,0.41140943047083817,0.4010862860667535,0.77540093208142,0.6774895483517237,0.5663465492426838
EOS-3-34875,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,UVVGICSLRAPQNT-UHFFFAOYSA-N,3,1,0.561,35,426,413.416,3.404,5,0.421,0.74,1.0,0.8373140977314784,0.8054879720375574,0.560165512987458,0.5244157357275032,0.6818458296209993
EOS-3-34876,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n(C)n1,CWSBWOZDOLZYQY-UHFFFAOYSA-N,3,1,0.563,15,628,445.914,4.17,5,0.39,0.64,1.0,0.542783222534439,0.5546569803303406,0.5130902611198684,0.4914759098074155,0.5255015934480158
EOS-3-34877,Oc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(-c3ncn(-c4ccccc4)n3)n12,IWXIUXKKMJPBCC-UHFFFAOYSA-N,3,1,0.267,10,289,422.412,2.53,6,0.442,0.6,0.744,0.13760194640531834,0.1135802892193818,0.15960180933452128,0.17972551572887396,0.14762739017202386
EOS-3-34878,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)c(F)c1,VMXWJBWYVCBDMH-UHFFFAOYSA-N,3,1,0.517,88,503,448.408,4.287,5,0.386,0.65,1.0,0.8792149270098005,0.8354465081214447,0.9054639846480708,0.9127630045918717,0.8832221060927969
EOS-3-34879,FC(F)c1ccc(Cl)cc1-c1nnc2cncc(OCc3cnc(C(F)(F)F)nc3)n12,OSIQGQWMGONISK-UHFFFAOYSA-N,3,1,0.524,68,900,456.762,4.77,4,0.403,0.67,1.0,0.8667500514015489,0.9121290521554383,0.9894027140017819,0.9722345966691797,0.9351291035569872
EOS-3-34880,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)c5)ncn4)n23)cc1,CXYLVZRKKPGVAK-UHFFFAOYSA-N,3,1,0.548,57,461,449.301,5.134,5,0.37,0.78,1.0,0.8535055856349805,0.9617144129943116,0.8530686724693304,0.9049071345349873,0.8932989514084024
EOS-3-34881,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnccn6)cn5)n34)cc2)ccn1,KFOVYSAYSWHMHK-UHFFFAOYSA-N,3,1,0.506,80,355,459.473,3.679,6,0.368,0.61,1.0,0.46474710437941197,0.437589952710575,0.42487663628264,0.38871564663148517,0.428982335001028
EOS-3-34882,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)s2)nc1,FVRFWGXNKUUKGX-UHFFFAOYSA-N,3,1,0.3,76,557,434.488,4.434,6,0.405,0.68,1.0,0.07317867178397643,0.17217805496538963,0.2737046809677198,0.29941402234253994,0.20461885751490644
EOS-3-34883,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3nccc(C)n3)n12,BECQOMQABRZTNE-UHFFFAOYSA-N,3,1,0.415,7,456,429.444,2.273,5,0.4,0.58,0.999,0.33440134329381127,0.1164844767322322,0.064962990884792,0.02228257144815297,0.1345328455897471
EOS-3-34884,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncnc(-c6cccnn6)n5)n34)nc2)nc1,JWCVGTZQLAYAAZ-UHFFFAOYSA-N,3,1,0.366,80,34,462.437,1.864,6,0.354,0.59,1.0,0.4091905969433212,0.2994397231169899,0.03334247138647111,0.028630662737303816,0.1926508635460215
EOS-3-34885,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4ccncn4)c(F)c3)n12,VEMYJUGJLUOOBN-UHFFFAOYSA-N,3,1,0.529,59,146,450.836,4.759,5,0.384,0.68,1.0,0.9651411829209787,0.9563772188335276,0.9503889383866767,0.954715235419094,0.9566556438900693
EOS-3-34886,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cccnn6)n5)n34)cc2)n1,YXMJTMBVCUPSGL-UHFFFAOYSA-N,3,1,0.396,71,428,463.465,2.413,6,0.362,0.6,0.995,0.5401360427660887,0.29459084367075594,0.11507093413748201,0.09041532451511206,0.2600532862723597
EOS-3-34887,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)nc1F,CMRICZPCDLJJJJ-UHFFFAOYSA-N,3,1,0.415,46,223,454.828,3.492,5,0.375,0.63,0.999,0.5401446096909054,0.5733842779795765,0.7143273250633952,0.7087074223836611,0.6341409087793846
EOS-3-34888,COc1cc(F)cnc1COc1cncc2nnc(-c3cc(-c4cccc(C)n4)n(C)n3)n12,BHYPKFYSCIXWNU-UHFFFAOYSA-N,3,1,0.394,95,477,446.446,3.017,5,0.392,0.61,0.375,0.34148619011719555,0.30447707490919057,0.2197673223219793,0.13814166266876843,0.25096806250428344
EOS-3-34889,COc1cc(-c2nnc3cncc(Oc4ccc(C)nn4)n23)ccc1-c1cnccn1,WOXMLXPTOKQHDQ-UHFFFAOYSA-N,3,1,0.382,15,248,412.413,3.148,5,0.429,0.78,1.0,0.4182201357000891,0.1679802618052224,0.31020834761154137,0.18255260091837433,0.2697403365088068
EOS-3-34890,Cc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3ccc(F)c(Cl)c3)n12,OWXSAHKXSPTXLU-UHFFFAOYSA-N,3,1,0.633,59,96,448.889,4.872,5,0.383,0.72,1.0,0.8039202247961071,0.7761462545404701,0.9033136865190871,0.8796347063258173,0.8407537180453704
EOS-3-34891,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)nn1C,SCJCVSVATPVUQJ-UHFFFAOYSA-N,3,1,0.385,31,569,433.451,2.564,5,0.364,0.63,1.0,0.2742101295319032,0.14854190939620313,0.10158659447604688,0.09042389143992872,0.15369063121102047
EOS-3-34892,CCc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n1,PGMNATYUMDQQLK-UHFFFAOYSA-N,3,1,0.41,65,466,459.901,3.271,5,0.361,0.62,0.743,0.49192138989788226,0.5133901034884518,0.19873552189705984,0.23111849770406415,0.3587913782468645
EOS-3-34893,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)cn1,FLCXKONZXYBYON-UHFFFAOYSA-N,3,1,0.356,62,204,407.437,3.275,5,0.491,0.86,1.0,0.18447159207730793,0.07140531834692619,0.33596909053526147,0.2871376190802549,0.21974590500993763
EOS-3-34894,Cc1cc(F)cc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)n(C)n2)n1,JGNOQASCBZSLLJ-UHFFFAOYSA-N,3,1,0.392,95,606,448.437,3.456,5,0.406,0.62,1.0,0.33902748269481187,0.26345007196216846,0.4503375368377767,0.38525460900555136,0.35951742512507706
EOS-3-34895,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(C#N)nc4)n23)ncn1,LISVENYGAMYXPW-UHFFFAOYSA-N,3,1,0.429,31,194,424.428,1.87,5,0.4,0.61,0.834,0.537625933794805,0.1808563498046741,0.1533479542183538,0.12298677266808307,0.24870425262147902
EOS-3-34897,Fc1ccc(-c2nnc3cncc(OCc4nncc(-c5ccnc(F)c5)n4)n23)nc1,FKIKASHQOJUQGJ-UHFFFAOYSA-N,3,1,0.371,46,915,419.355,2.29,5,0.396,0.62,1.0,0.5044462339798506,0.5362466588993215,0.3287129052155438,0.3757196216846001,0.436281354944829
EOS-3-34898,Clc1ccc(-c2nnc3cncc(OCc4scnc4-c4cccnc4)n23)cc1,AAZLARXYHUXNOC-UHFFFAOYSA-N,3,1,0.632,97,232,420.885,4.542,5,0.415,0.79,1.0,0.8488451785347132,0.9009749160441368,0.5267459392776369,0.6165530121307655,0.7232797614968131
EOS-3-34899,FC(F)n1c(-c2cnccn2)nnc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,JERSPVBMROBBGK-UHFFFAOYSA-N,3,1,0.295,8,474,457.408,3.292,6,0.418,0.56,1.0,0.15947330546227126,0.21254540470152833,0.3178671783976424,0.37264409567541634,0.2656324960592146
EOS-3-34900,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c(F)c1F,GVCVTMSDMFUKRD-UHFFFAOYSA-N,3,1,0.477,59,109,434.381,4.245,5,0.385,0.69,1.0,0.8418288671098623,0.8354550750462614,0.9391919676512919,0.9255362894935234,0.8855030498252348
EOS-3-34901,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c(F)c2)n1,MABYQGAXBMYDDK-UHFFFAOYSA-N,3,1,0.494,34,332,465.851,4.462,5,0.378,0.71,1.0,0.9225892673565896,0.934985607566308,0.8263141662668768,0.8497447056404633,0.8834084367075594
EOS-3-34902,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)cn1,TUBFVFCRBSRXTO-UHFFFAOYSA-N,3,1,0.552,84,884,448.408,4.287,5,0.361,0.7,1.0,0.8866167500514015,0.9216383387019396,0.9319786169556576,0.9236258652594065,0.9159648927421014
EOS-3-34903,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)cn2)nn1,JFNBDEKJBRNJKT-UHFFFAOYSA-N,3,1,0.593,16,32,448.849,3.718,5,0.4,0.57,1.0,0.9199592214378727,0.9521622918237269,0.5169025426632856,0.580177849359194,0.7423004763210198
EOS-3-34904,CN1CCN(C(=O)c2ncc(Cc3cncc4nnc(-c5ccc(C(=O)N(C)C)nc5)n34)cn2)CC1,AITLKDHFDUDFRE-UHFFFAOYSA-N,3,1,0.342,78,5,486.54,0.656,5,0.4,0.74,0.903,0.013261599616201767,0.0022274004523336302,7.710232335001028e-05,1.7133849633335617e-05,0.0038958090603796857
EOS-3-34905,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccn2)n1,XZNYQIFHBLPJKQ-UHFFFAOYSA-N,3,1,0.517,75,359,451.853,2.791,5,0.387,0.56,0.93,0.6091940237132479,0.5733928449043931,0.3432766774038791,0.37572818860941676,0.47539793365773425
EOS-3-34906,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)cn5)n34)cc2)n1,UGFWCNPQPOZIKW-UHFFFAOYSA-N,3,1,0.457,56,614,464.453,1.808,6,0.355,0.61,1.0,0.4228719758755397,0.24325783016928243,0.08967856898087863,0.06672777739702557,0.2056340381056816
EOS-3-34907,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nccn1C,VJMGDYWLBOWGHG-UHFFFAOYSA-N,3,1,0.354,51,924,447.89,3.172,5,0.39,0.58,0.64,0.43412034815982453,0.4331351518059077,0.06696765129189226,0.07018881502295936,0.251102991570146
EOS-3-34908,COc1ccc(-n2nnnc2-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)cn1,VRZKUOQTFYIICX-UHFFFAOYSA-N,3,1,0.264,86,421,450.426,1.69,6,0.378,0.56,0.986,0.03373654992803783,0.041463916112672194,0.05542800356384072,0.05052772256870674,0.04528904804331437
EOS-3-34909,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)cc5Cl)n34)ccn2)ncn1,GWBNRKCUSDDIGY-UHFFFAOYSA-N,3,1,0.457,75,583,462.876,3.761,5,0.375,0.64,1.0,0.8118189294770749,0.736952573504215,0.4713693372626962,0.48244637105064764,0.6256468028236584
EOS-3-34910,CCOCc1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cn4)n23)cn1,YFOQZUKYTUUGJR-UHFFFAOYSA-N,3,1,0.371,92,412,442.483,3.619,5,0.376,0.68,1.0,0.3737749297512165,0.22288568295524638,0.1853282845589747,0.09432184223151258,0.21907768487423757
EOS-3-34911,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cc4Cl)n23)cn1,KHDTUYOZEVNXEV-UHFFFAOYSA-N,3,1,0.494,68,127,423.21,4.405,4,0.443,0.68,1.0,0.8886471112329518,0.9234545267630732,0.952984716606127,0.9514940716880269,0.9291451065725448
EOS-3-34912,Fc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nnc(F)s5)c4)n23)c1,QEYXJMCJIGPRFI-UHFFFAOYSA-N,3,1,0.553,37,125,455.425,3.744,5,0.385,0.66,1.0,0.9480501679117264,0.9009834829689535,0.634749160441368,0.6599444863271879,0.785931824412309
EOS-3-34913,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccn2)nn1,MTFUKORFNJVHOW-UHFFFAOYSA-N,3,1,0.449,55,134,419.836,2.609,5,0.4,0.65,1.0,0.42766088684805703,0.5686981701048591,0.2921235693235556,0.3090261119868412,0.3993771845658282
EOS-3-34914,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)cc5Cl)nc4)n23)cc1,OXMRZFHZGXTOHO-UHFFFAOYSA-N,3,1,0.381,62,3,475.339,5.187,5,0.387,0.85,1.0,0.2768230416009869,0.38207627989856763,0.8498989102871634,0.8582259612089644,0.5917560482489206
EOS-3-34915,Cc1ncc(-c2cccc(-c3nnc4cncc(CCOCc5cccc(F)c5)n34)c2)o1,GQIPDOFOYGMKLA-UHFFFAOYSA-N,3,1,0.394,14,18,429.455,4.653,5,0.35,0.81,1.0,0.37378349667603317,0.3581831265848811,0.6991210335138098,0.6686570488657392,0.5249361764101158
EOS-3-34916,Cn1cc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cncnc5)n34)c2)cn1,VBMSEOBCZNHMNG-UHFFFAOYSA-N,3,1,0.25,94,967,432.451,3.106,6,0.418,0.55,1.0,0.05135871427592351,0.011394010006168185,0.2737132478925365,0.29037591666095536,0.1567104722088959
EOS-3-34917,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cnn2)nn1,UZKYWMSGCUXZFR-UHFFFAOYSA-N,3,1,0.489,53,778,445.874,3.017,5,0.388,0.56,1.0,0.6149252964155987,0.6701391268590227,0.20218799259817696,0.23702967582756493,0.4310705229250908
EOS-3-34918,Cc1nsc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)nn5C)n34)cc2)n1,RVLZSYAPMVURHH-UHFFFAOYSA-N,3,1,0.371,9,553,451.519,4.081,6,0.398,0.64,1.0,0.042372010143238985,0.08528373654992803,0.061090740867658144,0.08149715578096087,0.0675609108354465
EOS-3-34919,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cn2)n1,PBTCDNLRHHPOPS-UHFFFAOYSA-N,3,1,0.417,7,185,420.824,2.302,5,0.425,0.67,1.0,0.4389949283805085,0.5734014118292098,0.13831300116510178,0.14042046467000205,0.3227824515112055
EOS-3-34920,c1cnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cncs6)n5)n34)cc2)nc1,HMSZTTICLNTQAH-UHFFFAOYSA-N,3,1,0.301,8,608,424.453,2.952,6,0.424,0.59,1.0,0.008781097937084504,0.05230107600575697,0.09637790418751285,0.11831779864299911,0.06894446919333837
EOS-3-34921,Cc1nc(C)nc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)[nH]2)n1,AODWQSLRUVUVSN-UHFFFAOYSA-N,3,1,0.316,98,890,438.459,2.174,6,0.443,0.52,1.0,0.039459255705571926,0.019532588582002606,0.03463607703378795,0.021451579740936193,0.028769875265574674
EOS-3-34922,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)[nH]2)n1,DPQZDRUSYYAZSQ-UHFFFAOYSA-N,3,1,0.305,70,407,452.869,3.749,6,0.401,0.63,0.087,0.11581625659653211,0.20761085600712767,0.31787574532245905,0.4420704543896923,0.2708433280789528
EOS-3-34923,CCc1c(F)cccc1COc1cncc2nnc(-c3cnnc(-c4cccnc4F)c3)n12,AIKDROHSMJIIMG-UHFFFAOYSA-N,3,1,0.438,72,772,445.433,4.063,5,0.364,0.68,1.0,0.6405061339181687,0.6603385648687548,0.7352905900897814,0.697493317798643,0.683407151668837
EOS-3-34924,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3cnc(-c4cccnc4F)cn3)n12,BENCZPVLKZBVSZ-UHFFFAOYSA-N,3,1,0.284,94,72,466.415,3.441,6,0.36,0.62,0.997,0.2851329586731547,0.33362175313549447,0.6053988760194641,0.6428363374683024,0.4667474813241039
EOS-3-34925,O=C(O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)nc4)n23)cc1,TXNCNLYKPYPPGR-UHFFFAOYSA-N,3,1,0.39,85,740,410.397,2.327,5,0.463,0.74,0.999,0.14560345418408607,0.013595709684051813,0.27766260023302036,0.18515694606264135,0.1555046775409499
EOS-3-34926,Clc1cnc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)nc1,AZTVYQPSJPXQSW-UHFFFAOYSA-N,3,1,0.273,86,513,465.868,3.211,6,0.382,0.59,0.894,0.2096497841134946,0.2788020012336372,0.15024672743472003,0.21664039476389554,0.21383472688643684
EOS-3-34927,Cc1nn(C)cc1-c1cncc2nnc(-c3cnc(-c4cccnc4C(F)F)nc3)n12,WSVLURCVHRQKDS-UHFFFAOYSA-N,3,1,0.325,50,489,419.399,3.29,5,0.441,0.61,0.948,0.07928688917826057,0.137404907134535,0.3737749297512165,0.2994225892673566,0.22247232883284218
EOS-3-34928,Cc1cc(-c2nnc3cncc(OCc4ccc(-n5cnnc5)s4)n23)ccc1Cl,XWWRZYXBRDXLFL-UHFFFAOYSA-N,3,1,0.512,36,677,423.889,3.974,5,0.425,0.7,0.998,0.47196045507504625,0.6361284353368515,0.5601740799122746,0.5608851346720581,0.5572870262490577
EOS-3-34929,Fc1ncc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,RBFQKJYQQFOJNM-UHFFFAOYSA-N,3,1,0.53,97,666,438.875,4.681,5,0.371,0.8,1.0,0.9052583784524707,0.8810139812213008,0.7567850044548009,0.7614625454047015,0.8261299773833184
EOS-3-34930,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)nc1,WPDYKQHQJUKLIJ-UHFFFAOYSA-N,3,1,0.279,70,369,466.896,3.759,6,0.386,0.64,1.0,0.16510177506682203,0.18502844219039133,0.43974025083955864,0.4885031868960318,0.31959341374820094
EOS-3-34931,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)cc4)n23)cc1,GYGNTDRKORAQCG-UHFFFAOYSA-N,3,1,0.616,1,230,412.428,4.275,5,0.429,0.83,1.0,0.9595812487149613,0.852306216160647,0.7376636282639983,0.6774981152765404,0.8067623021040367
EOS-3-34932,Oc1ncccc1CCOc1cncc2nnc(-c3cncc(-c4ncc(F)cn4)c3)n12,MBXKFINVYMLBDC-UHFFFAOYSA-N,3,1,0.506,2,491,430.403,2.504,5,0.433,0.63,1.0,0.6979730655883764,0.5362552258241382,0.284893084778288,0.2370382427523816,0.439039904735796
EOS-3-34933,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccncn5)n4)n23)c(F)c1,WDEOEHOJUPDHDL-UHFFFAOYSA-N,3,1,0.325,76,653,449.453,3.85,6,0.403,0.59,1.0,0.23981392639298196,0.27881056815845384,0.5470752518675897,0.5244243026523199,0.3975310122678363
EOS-3-34934,N#Cc1cc(COc2cncc3nnc(-c4cc(F)c(-c5ncccn5)cn4)n23)ncn1,QPWDWHLFGBTCDN-UHFFFAOYSA-N,3,1,0.406,7,242,426.375,2.023,5,0.41,0.56,0.997,0.6648619011719553,0.6261993694743335,0.30653313686519085,0.28438763621410457,0.4704955109313961
EOS-3-34935,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cs1,KGFKMHVPNXVIHH-UHFFFAOYSA-N,3,1,0.541,2,422,435.9,4.246,5,0.407,0.67,1.0,0.42288054280035636,0.5314663148516209,0.4397488177643753,0.4485299157014598,0.46065639777945305
EOS-3-34936,Clc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5cncs5)c4)n23)s1,VDIZTXWJCPEGOL-UHFFFAOYSA-N,3,1,0.489,87,778,441.929,4.041,5,0.392,0.66,1.0,0.6232009457884997,0.6846429305736413,0.25214173120416694,0.3307432663970941,0.47268221849085057
EOS-3-34937,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncc(F)cn6)n5)n34)cc2)nc1,COIJUPUMLHIYRY-UHFFFAOYSA-N,3,1,0.352,38,902,465.427,4.046,6,0.384,0.62,1.0,0.3012559111781235,0.43314371873072444,0.4920241929956823,0.5212202727708861,0.4369110239188541
EOS-3-34938,Cc1nc(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)c(F)c2)s1,LJACZAZHVQJHNR-UHFFFAOYSA-N,3,1,0.381,96,648,462.485,4.576,5,0.422,0.65,1.0,0.22609827976149682,0.2634586388869851,0.6380131587965184,0.576802480981427,0.42609313960660683
EOS-3-34939,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(Cl)c4)n23)nc1,CIXVITYRIGZWML-UHFFFAOYSA-N,3,1,0.333,64,449,465.908,4.364,6,0.381,0.69,1.0,0.11860050716194914,0.212553971626345,0.4134997601261051,0.5046261394010007,0.31232009457885
EOS-3-34940,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)[nH]2)c1,ORPNFZAYMTZHIW-UHFFFAOYSA-N,3,1,0.361,3,152,450.893,4.959,6,0.407,0.75,1.0,0.15149749845795354,0.3531714755671304,0.6232095127133165,0.7433092317181824,0.4677969296141457
EOS-3-34941,c1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(C6CC6)cn5)n34)cn2)nn1,RDFWHSYWYUBCMO-UHFFFAOYSA-N,3,1,0.392,7,535,424.428,2.285,6,0.4,0.62,1.0,0.43668185868000825,0.30954012747584125,0.04009320814200534,0.06673634432184224,0.21326288465492427
EOS-3-34942,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)s4)n23)ccc1Cl,VCOYTDIGAFZSCH-UHFFFAOYSA-N,3,1,0.598,59,850,438.875,4.681,5,0.396,0.73,1.0,0.7555085326571174,0.8987989171407031,0.6441128092659859,0.7142587896648619,0.7531697621821671
EOS-3-34943,Cc1noc(-c2cc(F)c(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cn5)n34)cn2)n1,WHSMMYMUBFLDKK-UHFFFAOYSA-N,3,1,0.301,99,968,456.405,1.936,6,0.382,0.56,1.0,0.2797529298882873,0.2994482900418066,0.03713761908025495,0.05053628949352341,0.16671878212596808
EOS-3-34944,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)nc1,NJZCUMVLDXXEHN-UHFFFAOYSA-N,3,1,0.627,97,744,414.856,4.481,5,0.422,0.78,1.0,0.7040984168322939,0.8169590843670756,0.7846703447330546,0.8035432801041738,0.7773177815091494
EOS-3-34945,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccs5)cc4)n23)nc1,RCLCUGRJAABYDP-UHFFFAOYSA-N,3,1,0.282,64,495,452.478,4.573,6,0.387,0.69,1.0,0.27421869645671987,0.33866767185251184,0.3139777945308752,0.42953704338290727,0.33910030155575355
EOS-3-34946,Fc1cccc(-c2cc(-c3nnc4cncc(Oc5ccc(CC(F)F)cc5)n34)ncn2)c1,MMSIXFKAVVFAHY-UHFFFAOYSA-N,3,1,0.432,44,616,448.408,4.987,5,0.364,0.77,1.0,0.7162634500719621,0.7461962853813995,0.9305565074360908,0.9203532999794394,0.828342385717223
EOS-3-34947,Cc1nc(-c2cncc(C#N)c2)cc(-c2cncc3nnc(-c4cc(Cl)ccc4F)n23)n1,SJPYTDFAYOURES-UHFFFAOYSA-N,3,1,0.306,22,155,442.845,4.283,5,0.41,0.63,0.998,0.3268281817558769,0.4639932149955452,0.8156397779453087,0.8547734905078473,0.6153086663011446
EOS-3-34948,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5ncccc5F)ncn4)n23)c(F)c1,OFZNSMISHLNXEV-UHFFFAOYSA-N,3,1,0.412,44,481,450.384,3.077,5,0.389,0.58,0.682,0.7102580357754781,0.5840243986018778,0.5169111095881023,0.5673788636830923,0.5946431019121377
EOS-3-34949,CCc1cc(-c2ncc(Cl)cn2)cc(-c2nnc3cncc(OCc4ncn(C)n4)n23)n1,LKEXZHLMHCMLAB-UHFFFAOYSA-N,3,1,0.354,31,924,448.878,2.567,5,0.385,0.57,1.0,0.2555599342060174,0.32460934822835996,0.03714618600507162,0.03891097251730519,0.16405661023918855
EOS-3-34950,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4Cl)n23)c(F)c1,FVXNAWUEXZGNAF-UHFFFAOYSA-N,3,1,0.489,73,526,471.283,4.007,5,0.382,0.7,1.0,0.5555907751353574,0.6701476937838393,0.6411572202042355,0.72475327256528,0.647912240422178
EOS-3-34951,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)[nH]c(=O)c1,JINOJZILQPSHKJ-UHFFFAOYSA-N,3,1,0.367,97,959,429.415,2.963,5,0.428,0.59,1.0,0.4507401823041601,0.3820848468233843,0.6022462476869302,0.5413868137893222,0.49411452265094924
EOS-3-34952,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)n1,WXZCZYCPVNDDCL-UHFFFAOYSA-N,3,1,0.536,75,420,416.832,3.271,5,0.402,0.71,1.0,0.5249040504420533,0.5597800013707079,0.332602289082311,0.35620416695223084,0.44337262696182583
EOS-3-34953,Clc1cc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)ccn1,YXIVUQJEOPMUAH-UHFFFAOYSA-N,3,1,0.42,18,949,416.832,3.271,5,0.402,0.71,1.0,0.6345778219450346,0.5937135905695292,0.4173377424439723,0.4326811047906244,0.5195775649372901
EOS-3-34954,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)nc(CF)n1,OEHSKDXBIZBHFE-UHFFFAOYSA-N,3,1,0.415,31,330,445.462,2.951,5,0.359,0.63,1.0,0.3506956342951134,0.11649304365704886,0.09194023713247892,0.07794188198204373,0.15926769926667125
EOS-3-34955,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)n1,HGVBANIOIAPTKM-UHFFFAOYSA-N,3,1,0.483,87,349,437.916,3.923,5,0.4,0.67,1.0,0.4482386402576931,0.4771348776643136,0.2921321362483723,0.3757367555342334,0.3983106024261531
EOS-3-34956,Clc1cnc(-c2nc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)cs2)cn1,DLJHEAAKGSNIGR-UHFFFAOYSA-N,3,1,0.461,7,434,458.294,3.381,5,0.365,0.68,1.0,0.4819066547871976,0.6077633472688644,0.15961037625933794,0.24553663217051608,0.373704252621479
EOS-3-34957,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ncccn5)cn4)n23)cc1,HJUVWPPCEMYBKZ-UHFFFAOYSA-N,3,1,0.536,4,770,413.416,3.67,5,0.434,0.76,1.0,0.8465064080597628,0.7888081694195052,0.5470838187924063,0.4946199712151326,0.6692545918717017
EOS-3-34960,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,XKEVRSGRUSUHRM-UHFFFAOYSA-N,3,1,0.494,65,822,415.392,2.194,5,0.411,0.68,1.0,0.6830494825577411,0.607771914193681,0.18533685148379136,0.185165512987458,0.4153309403056679
EOS-3-34962,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ccn2)cn1,OYUVVOCSDXWPHQ-UHFFFAOYSA-N,3,1,0.477,55,525,451.824,4.154,5,0.371,0.66,1.0,0.8733722842848332,0.8584144335549311,0.8917740387910356,0.8907031731889521,0.8785659824549379
EOS-3-34963,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cnn2)c(C)n1,RQKYLFOYVMLPOQ-UHFFFAOYSA-N,3,1,0.406,7,535,446.862,2.678,5,0.397,0.57,1.0,0.48933417860324857,0.5270886162703036,0.13201631142485093,0.12063943526831608,0.3172696353916798
EOS-3-34964,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cn1,NAKFPBBFTUNLSF-UHFFFAOYSA-N,3,1,0.43,18,720,415.482,3.635,5,0.418,0.74,1.0,0.5044548009046672,0.31992324035364267,0.24125316976218217,0.19343259543554245,0.31476595161400867
EOS-3-34965,Fc1ccncc1CCOc1cncc2nnc(-c3cncc(-c4cc(Cl)ccn4)c3)n12,YULVGWPYNOZZMK-UHFFFAOYSA-N,3,1,0.489,2,76,447.861,4.057,5,0.387,0.63,1.0,0.8465149749845795,0.835463641971078,0.7477725995476664,0.7855013364402714,0.8038131382358988
EOS-3-34966,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cc(Cl)ccc5F)c4)n23)cc1,DCCLXBXWPHNDRO-UHFFFAOYSA-N,3,1,0.378,83,3,457.896,5.277,5,0.398,0.77,1.0,0.3691230895757659,0.45062024535672673,0.9161126721951888,0.9127715715166884,0.6621568946610925
EOS-3-34967,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c(F)n2)n1,ZLHLNJLVDBHTLA-UHFFFAOYSA-N,3,1,0.435,7,94,438.814,2.143,5,0.38,0.61,0.98,0.4435696662326091,0.5270971831951203,0.1413371256253855,0.16600130217257214,0.3195013193064218
EOS-3-34968,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncc(-c5cnc(F)cn5)nn4)n23)nc1,MBFDBPHRNQZSSZ-UHFFFAOYSA-N,3,1,0.277,86,953,468.391,2.23,6,0.375,0.59,0.839,0.20131416626687684,0.28924508258515524,0.10945103145774793,0.19066547871975875,0.1976689397573847
EOS-3-34969,Cc1ncn(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c2)n1,GPFZGFKPDRGGEX-UHFFFAOYSA-N,3,1,0.495,16,446,453.293,3.961,5,0.398,0.66,1.0,0.4114179973956549,0.5687067370296758,0.602254814611747,0.6599530532520047,0.5605831505722706
EOS-3-34970,COc1ncc(-c2nnc3cncc(OCc4ncn(C)n4)n23)cc1-c1cscn1,KXTHRTCENUBBOQ-UHFFFAOYSA-N,3,1,0.383,92,986,421.446,2.026,5,0.406,0.67,1.0,0.20682269892399424,0.1564320471523542,0.03335103831128778,0.013595709684051813,0.10255037351792201
EOS-3-34971,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)c1,XESFYKNTLIPARW-UHFFFAOYSA-N,3,1,0.461,18,840,418.457,4.07,5,0.414,0.72,1.0,0.6492872318552533,0.5362637927489549,0.5798608731409773,0.5954184086080461,0.5902075765883079
EOS-3-34973,Fc1cc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)ccc1-c1ncon1,XBONUPZJAWPOIO-UHFFFAOYSA-N,3,1,0.517,73,325,456.8,3.184,5,0.355,0.68,1.0,0.877347337399767,0.82478925364951,0.4283119731341238,0.5010365979028168,0.6578712905215545
EOS-3-34974,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)s4)n23)cc1,APYGLAWDNAICER-UHFFFAOYSA-N,3,1,0.329,38,865,438.52,4.321,6,0.41,0.65,1.0,0.07120827907614283,0.07492632444657665,0.3359776574600781,0.29943115619217325,0.19538585429374272
EOS-3-34975,Cc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cn5)n34)n2)n(C)n1,IVOXNNOUUJRYCJ-UHFFFAOYSA-N,3,1,0.255,99,286,453.474,1.58,6,0.39,0.58,0.675,0.010074703584401344,0.02181995750805291,0.0072390514700842986,0.003006990610650401,0.01053517579329724
EOS-3-34976,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ncc(F)cc5-c5cccnc5)n34)cc2)nc1,MKKATZBTLQDBKC-UHFFFAOYSA-N,3,1,0.286,42,106,464.439,4.651,6,0.375,0.7,1.0,0.29626996093482283,0.41040710026728805,0.7016568432595436,0.7460763484339662,0.5386025632239052
EOS-3-34977,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)c1,DMWCXXAMEIRHGC-UHFFFAOYSA-N,3,1,0.461,55,283,424.396,2.957,5,0.397,0.66,0.995,0.5532006031115071,0.5687153039544925,0.49203275992049894,0.4885117538208485,0.5256151052018367
EOS-3-34978,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cc[nH]n5)s4)n23)cc1,VDCCCFJIGSWEEI-UHFFFAOYSA-N,3,1,0.495,89,398,432.469,2.576,5,0.423,0.61,1.0,0.52491261736687,0.30954869440065796,0.11507950106229868,0.05594201905284079,0.25137070797066685
EOS-3-34979,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nc2C)cn1,IDJOZKGULGEBNF-UHFFFAOYSA-N,3,1,0.364,92,94,447.89,3.401,5,0.389,0.61,0.98,0.2611113014872182,0.3386762387773285,0.18204715235419094,0.1528082379549037,0.23366073264341033
EOS-3-34980,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnc(C)o6)nc5)n34)s2)n(C)n1,QGUVCGNKWHURSM-UHFFFAOYSA-N,3,1,0.309,76,14,455.507,3.982,6,0.392,0.65,1.0,0.05287505996847372,0.10090980741553011,0.07784764580906038,0.06045678843122473,0.07302232540607223
EOS-3-34981,COc1cc(-c2nnc3cncc(OCc4ncccc4-c4cccnc4)n23)ccc1Cl,FQOBKWUFIUQTFB-UHFFFAOYSA-N,3,1,0.56,97,744,444.882,4.489,5,0.381,0.69,1.0,0.8168905489685423,0.8552789390720307,0.7402594064834487,0.6889692276060585,0.7753495305325201
EOS-3-34982,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cc6F)nc5)n34)[nH]2)c1,FWBCBQIWZWCRQN-UHFFFAOYSA-N,3,1,0.361,45,46,471.406,4.118,6,0.412,0.66,1.0,0.35526180522239736,0.4905249811527654,0.7197159207730793,0.8122901103419916,0.5944482043725584
EOS-3-34983,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)cn2)cn1,HJTFJEMVXWWAGH-UHFFFAOYSA-N,3,1,0.321,32,723,465.427,4.046,6,0.359,0.66,0.998,0.3117675279281749,0.4285175793297238,0.6911366595846755,0.6862877801384415,0.5294273867452539
EOS-3-34984,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)c(Cl)c1,ZVBKPIWVPMJSOL-UHFFFAOYSA-N,3,1,0.3,10,872,472.875,3.627,6,0.361,0.69,1.0,0.02432149955451991,0.1937410047289425,0.5894129943115619,0.642844904393119,0.36258010074703584
EOS-3-34985,Clc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)cn1,BUHJKFHVACYQIY-UHFFFAOYSA-N,3,1,0.524,75,183,420.885,4.542,5,0.388,0.78,1.0,0.6950774450003426,0.6077804811184977,0.680213830443424,0.6889777945308752,0.6680123877732849
EOS-3-34986,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5F)c4)n23)nnc1Cl,SCNRKYPUYWLVDY-UHFFFAOYSA-N,3,1,0.444,87,307,466.839,3.591,5,0.35,0.68,1.0,0.7375608251661984,0.8389161126721952,0.6317593036803509,0.6862963470632581,0.7236331471455006
EOS-3-34987,Fc1ccc(OCc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)nc1,TVOQNYIZPHTFNH-UHFFFAOYSA-N,3,1,0.382,14,767,417.379,3.501,5,0.404,0.7,1.0,0.5427917894592557,0.617289767664999,0.7327119457199643,0.694837571105476,0.6469077684874237
EOS-3-34988,Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)n(C)n4)n23)c1F,PHOHLFYKYGUVRE-UHFFFAOYSA-N,3,1,0.413,95,998,433.422,3.752,5,0.42,0.62,1.0,0.4366904256048249,0.35819169350969776,0.6638595709684052,0.6340466726064012,0.5231970906723323
EOS-3-34989,CCn1cc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5F)n34)nn2)cn1,XTSCWAIEBOBADD-UHFFFAOYSA-N,3,1,0.27,99,356,472.423,2.386,6,0.371,0.62,1.0,0.02210266602700295,0.09459598382564595,0.15335652114317044,0.24554519909533273,0.128900092522788
EOS-3-34990,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncc(F)cn1,FADGPGFKHPKBLI-UHFFFAOYSA-N,3,1,0.37,51,924,463.864,3.367,5,0.373,0.61,0.985,0.6918562812692756,0.6748166678089234,0.12914639161126723,0.1660098690973888,0.41545730244671375
EOS-3-34991,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nc2F)ncn1,BROPTBNEGUAPDQ-UHFFFAOYSA-N,3,1,0.452,46,223,448.849,3.718,5,0.375,0.64,1.0,0.789844767322322,0.6603471317935714,0.5863032006031115,0.5543999725858406,0.6477237680762113
EOS-3-34992,Cc1nc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4C)n23)n1,RZLOJDRJVXQDGT-UHFFFAOYSA-N,3,1,0.451,53,617,445.874,3.283,5,0.375,0.63,0.999,0.504463367829484,0.5640634637790419,0.15630354328010418,0.15018675896100336,0.3437542834624083
EOS-3-34993,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1ncccn1,CSPWJRZXZPJUCT-UHFFFAOYSA-N,3,1,0.43,65,569,417.408,2.137,5,0.413,0.67,1.0,0.4507487492289768,0.2945994105955726,0.11806935782331575,0.12725310122678363,0.2476676547186622
EOS-3-34994,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,TXKQQYRMRJLDNK-UHFFFAOYSA-N,3,1,0.255,99,754,448.454,2.379,6,0.386,0.56,0.618,0.03495305325200466,0.01227640326228497,0.016165787129052155,0.025709341374820095,0.02227614625454047
EOS-3-34995,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5nnc(C)s5)c4)n23)sn1,DIRNMACKMOCARY-UHFFFAOYSA-N,3,1,0.573,4,677,439.501,4.101,5,0.407,0.66,1.0,0.5864488383249948,0.6603556987183881,0.1627630045918717,0.17144986635597287,0.3952543519978069
EOS-3-34996,COCc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(C#N)c5)n34)c2)cc1,HPTUYYAUFZYXOH-UHFFFAOYSA-N,3,1,0.426,89,207,464.489,3.283,5,0.34,0.69,1.0,0.5169453772873689,0.2994568569666233,0.6141799739565486,0.5377458707422383,0.49208201973819476
EOS-3-34997,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cncs5)n4)n23)nc1,SCKRWZTULVFHOU-UHFFFAOYSA-N,3,1,0.441,18,367,433.472,3.774,5,0.402,0.62,1.0,0.6262336371736001,0.6218302378178329,0.26978102940168597,0.2606743883215681,0.4446298231786718
EOS-3-34998,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)nn1,CKLSGZSAEYAWQN-UHFFFAOYSA-N,3,1,0.506,27,69,435.398,2.893,5,0.401,0.59,1.0,0.36913165650058255,0.4104156671921047,0.5435285449934891,0.4167637584812556,0.43495990679185803
EOS-3-34999,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2F)s1,UBPXVCLRIWGWAL-UHFFFAOYSA-N,3,1,0.535,4,554,453.89,4.385,5,0.364,0.77,1.0,0.6891234322527585,0.7323178671783976,0.4680196696593791,0.5212288396957029,0.6026724521965595
EOS-3-35000,Cc1cnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5)n34)c2)nn1,QHRJGXJLGHEPLI-UHFFFAOYSA-N,3,1,0.311,70,719,463.44,3.005,6,0.359,0.61,0.975,0.20683126584881092,0.3246179151531766,0.24848365430744979,0.27548660132958674,0.26385485915975604
EOS-3-35001,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cc(F)cnc4-c4ccc(F)cn4)n23)n1,AIGZHRIBHXPICT-UHFFFAOYSA-N,3,1,0.294,76,387,468.431,3.384,6,0.387,0.62,0.99,0.17579329723802345,0.2327547803440477,0.2993968884929066,0.385263175930368,0.2733020355013364
EOS-3-35002,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(C(F)(F)F)nn5)n4)n23)nc1,FITOISUHSSKCIH-UHFFFAOYSA-N,3,1,0.44,27,52,464.411,3.945,5,0.385,0.63,1.0,0.540153176615722,0.527105750119937,0.7885939962990884,0.6105647316839148,0.6166044136796656
EOS-3-35003,Fc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)c1F,CCETZTKIZQAOSP-UHFFFAOYSA-N,3,1,0.53,2,419,437.435,3.605,5,0.401,0.62,1.0,0.6979816325131931,0.6309968473716675,0.6719381810705229,0.6542046467000205,0.663780326913851
EOS-3-35004,Clc1cccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)c1,JACLMIFIQBDNNY-UHFFFAOYSA-N,3,1,0.443,44,130,464.316,4.572,5,0.34,0.77,1.0,0.6463316427935029,0.684651497498458,0.5990250839558632,0.7195445822767459,0.6623882016311425
EOS-3-35005,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)c(Cl)n4)n23)n(C)n1,SVKBUMPDBPOZDH-UHFFFAOYSA-N,3,1,0.379,46,662,450.865,3.662,5,0.377,0.66,0.957,0.3713333561784662,0.47265437598519633,0.4643187581385786,0.46096909053526147,0.4423188952093756
EOS-3-35006,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)nc1,OHBVTVNTTFAENV-UHFFFAOYSA-N,3,1,0.402,41,318,464.464,4.58,6,0.368,0.74,1.0,0.7102666027002947,0.6262079363991502,0.6232180796381331,0.5608937015968748,0.6301465800836132
EOS-3-35007,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)n4C)n23)cc1,YZLWZQQPDBDXBX-UHFFFAOYSA-N,3,1,0.325,8,42,468.912,3.703,6,0.363,0.64,1.0,0.14561202110890276,0.2686930299499692,0.19194195051744226,0.2754951682544034,0.22043554245767938
EOS-3-35008,Cc1cncc(-c2ncnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)n1,HBZUPEFCZCVKOY-UHFFFAOYSA-N,3,1,0.412,7,535,448.397,2.653,5,0.382,0.57,0.564,0.6262422040984168,0.6027602631759303,0.23756082516619834,0.17973408265369062,0.411574343773559
EOS-3-35009,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)c2)s1,IERIKZILLGLDLY-UHFFFAOYSA-N,3,1,0.44,2,142,438.423,3.265,5,0.385,0.63,1.0,0.6092025906380646,0.5225567130422863,0.38127098896580086,0.372652662600233,0.4714207388115962
EOS-3-35010,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)n1,MOOGXKOMSGCBDV-UHFFFAOYSA-N,3,1,0.524,16,256,420.433,3.126,5,0.427,0.65,1.0,0.6950860119251594,0.670156260708656,0.24849222123226647,0.25157631416626686,0.46632770200808715
EOS-3-35011,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)nc1,APQVUNAPKOGJDQ-UHFFFAOYSA-N,3,1,0.441,24,354,434.822,3.41,5,0.387,0.59,1.0,0.695094578849976,0.8614728257144816,0.5768967171544103,0.6075491741484477,0.6852533239668289
EOS-3-35012,Cc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,TZDPWEXVAJQVLN-UHFFFAOYSA-N,3,1,0.389,51,379,451.853,3.057,5,0.375,0.62,1.0,0.569657665684326,0.5597885682955246,0.17885168939757384,0.1879069289287917,0.37405121307655403
EOS-3-35013,c1ccc(-c2ncc(-c3nnc4cncc(-c5scnc5-c5ccccc5)n34)cn2)cc1,VEAHYEZFWVPIDX-UHFFFAOYSA-N,3,1,0.379,30,553,433.5,5.039,6,0.387,0.77,1.0,0.07500342676992666,0.1302943595367007,0.3250890960180933,0.42320608594338976,0.2383982420670276
EOS-3-35014,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)cnn4)n23)c1,AULFNHNEFPPDFW-UHFFFAOYSA-N,3,1,0.43,18,87,465.304,3.967,5,0.347,0.69,1.0,0.6405147008429855,0.6361370022616681,0.5990336508806798,0.70030326913851,0.6439971557809608
EOS-3-35015,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)s1,DOGGGQGVLMNCLM-UHFFFAOYSA-N,3,1,0.712,84,884,450.474,4.518,5,0.379,0.71,1.0,0.7700466040710027,0.7045181961483106,0.7664570625728189,0.7221146597217463,0.7407841306284695
EOS-3-35016,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)c1,BHBMFJQXTKMHOG-UHFFFAOYSA-N,3,1,0.489,16,55,435.85,3.958,5,0.389,0.63,1.0,0.7286940579809471,0.6172983345898156,0.7846789116578713,0.7536580768967172,0.7210823452813379
EOS-3-35017,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5c(C)n[nH]c5C)n4)n23)cn1,JHHQLMOVGXMCIJ-UHFFFAOYSA-N,3,1,0.473,4,205,430.447,3.615,5,0.454,0.6,1.0,0.5169539442121855,0.5597971352203414,0.28865396477280514,0.21390754574737852,0.3948281474881777
EOS-3-35018,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nncnn6)n5)n34)nc2)n1,DZITUMWKHWTQKT-UHFFFAOYSA-N,3,1,0.271,76,387,449.413,2.696,6,0.37,0.57,0.993,0.23423685833733124,0.2892536495099719,0.20219655952299362,0.2667055033925022,0.24809814269069974
EOS-3-35019,Cc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)nn1,SAQLXFXPPXBTFU-UHFFFAOYSA-N,3,1,0.473,37,563,462.876,3.761,5,0.375,0.62,0.999,0.6951031457747927,0.7718884929065862,0.40315091494757044,0.4579792337742444,0.5820304468507985
EOS-3-35020,CCn1cncc1-c1cnnc(-c2nnc3cncc(Oc4c(F)cccc4Cl)n23)c1,UWACBNQAXZQRTQ-UHFFFAOYSA-N,3,1,0.354,13,643,436.838,4.05,5,0.41,0.65,0.87,0.4320214515797409,0.4771434445891303,0.570377287368926,0.6012439174833801,0.5201965252552944
EOS-3-35021,Clc1cc(COc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)c(Cl)cn1,UHEUPFFPVKKIAE-UHFFFAOYSA-N,3,1,0.5,97,300,450.289,4.529,5,0.364,0.71,1.0,0.7643495990679186,0.7718970598314029,0.7452453567267494,0.7855099033650881,0.7667504797477898
EOS-3-35022,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)cc4)n23)c1,DVIKFYRMFBDFNU-UHFFFAOYSA-N,3,1,0.541,35,919,449.396,3.682,5,0.365,0.61,1.0,0.9753015557535467,0.9650726475224454,0.8034233431567405,0.7787848673840039,0.8806456034541841
EOS-3-35023,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c1,BGVBPBRCJZZVNR-UHFFFAOYSA-N,3,1,0.558,59,16,421.432,4.772,5,0.409,0.78,1.0,0.8118274964018916,0.7888167363443218,0.8882187649921184,0.8853745459529847,0.8435593859228291
EOS-3-35024,CCc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)c1,PFURFENJHCSAFS-UHFFFAOYSA-N,3,1,0.539,75,904,441.47,3.966,5,0.377,0.64,1.0,0.7643581659927352,0.7631673634432184,0.6141885408813652,0.5314491810019876,0.6682908128298265
EOS-3-35025,CCCOc1ncc(-c2nnc3cncc(-c4ccc(-c5c(C)noc5C)cc4F)n23)cn1,PAAAWDNPLMKVGE-UHFFFAOYSA-N,3,1,0.307,82,478,445.458,4.448,5,0.378,0.76,0.883,0.39423274621341925,0.33868480570214515,0.26260194640531836,0.19344116236035913,0.2972401651703105
EOS-3-35026,COc1c(C)cnnc1COc1cncc2nnc(-c3cc(-c4cn(C)nc4C)cnn3)n12,DBNAUOGBUZKTNV-UHFFFAOYSA-N,3,1,0.347,92,182,444.459,1.976,5,0.383,0.57,0.993,0.0882221917620451,0.03183469261873758,0.0430316633541224,0.01568603933931876,0.04469364676855596
EOS-3-35027,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1Cl,WYFLLOJXWIKUCG-UHFFFAOYSA-N,3,1,0.524,16,610,424.877,3.276,5,0.427,0.61,1.0,0.5119080254951682,0.5687238708793092,0.2341940237132479,0.29038448358577207,0.40130260091837433
EOS-3-35028,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)ncn2)c1,MDIJRYSFAOCUBV-UHFFFAOYSA-N,3,1,0.5,44,130,464.863,4.801,5,0.359,0.77,0.994,0.8811853197176341,0.8942841477623192,0.8953978479884861,0.9225635665821397,0.8983577205126447
EOS-3-35029,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5nccc(-c6cccnn6)n5)n34)cn2)cn1,YJUHEVZRHYJLNE-UHFFFAOYSA-N,3,1,0.315,6,870,464.424,3.427,6,0.35,0.65,0.99,0.6149338633404153,0.5454304023027894,0.354936262079364,0.3212682475498595,0.45914219381810706
EOS-3-35030,Cc1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5cn(C)cn5)c(F)c4)n23)n1,RZKFRMKHVHPBDR-UHFFFAOYSA-N,3,1,0.483,4,677,449.877,4.267,5,0.398,0.67,1.0,0.6375248440819683,0.6996350490028099,0.7043040230278939,0.6804794051127407,0.6804858303063532
EOS-3-35031,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(F)n5C)cn4)n23)cn1,WTSKMDPYZGYPET-UHFFFAOYSA-N,3,1,0.544,36,205,417.408,2.403,5,0.429,0.67,1.0,0.5194469193338359,0.545438969227606,0.15961894318415462,0.12299533959289974,0.3368750428346241
EOS-3-35032,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nnc(C)n5C)c4)n23)nn1,RISVQGJQFNWWQL-UHFFFAOYSA-N,3,1,0.429,53,105,414.433,1.968,5,0.425,0.74,1.0,0.25842128709478446,0.07829312589952711,0.027422726338153656,0.017467959701185663,0.09540127475841273
EOS-3-35033,N#Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)s2)no1,BEFBDEUMBACBPW-UHFFFAOYSA-N,3,1,0.32,76,368,449.459,3.898,6,0.393,0.62,1.0,0.18185868000822425,0.32894421218559383,0.18534541840860805,0.21922760605852923,0.22884397916523885
EOS-3-35034,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)c(F)c1F,HGFIPLJBERVMFW-UHFFFAOYSA-N,3,1,0.391,13,692,420.354,4.458,5,0.4,0.73,1.0,0.6770697690357069,0.6897231169899253,0.9208587485436228,0.9106298403125214,0.7995703687204442
EOS-3-35035,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ncc(F)cn4)n23)cn1,MRNUETWLRUWRHM-UHFFFAOYSA-N,3,1,0.349,82,489,417.364,1.797,5,0.464,0.57,1.0,0.3242581043108766,0.3199318072784593,0.061099307792474813,0.047846275101089714,0.18828387362072513
EOS-3-35036,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cc5F)n34)c2)c1,KFEPNVVEDIGNFC-UHFFFAOYSA-N,3,1,0.529,59,607,452.852,4.702,5,0.361,0.74,1.0,0.8039287917209239,0.7803440477006374,0.9432098553903091,0.935114111438558,0.865649201562607
EOS-3-35037,c1ccc(-c2ccc(-c3nnc4cncc(-c5cncnc5-c5ccccc5)n34)cn2)cc1,TVIFBVLRLSQVEF-UHFFFAOYSA-N,3,1,0.329,30,220,427.471,4.977,6,0.395,0.76,0.999,0.17880028784867383,0.13372112946336784,0.592608457268179,0.6569289287917209,0.3905147008429854
EOS-3-35038,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)nn1C,LIDTVXVYNAANJJ-UHFFFAOYSA-N,3,1,0.461,36,677,418.436,2.952,5,0.436,0.65,1.0,0.40266260023302036,0.46400178192036184,0.37769858131725037,0.2843962031389213,0.3821897916523885
EOS-3-35039,Cn1nc(-c2ccncc2)nc1CCc1cncc2nnc(-c3ccc(Cl)cn3)n12,PIBMSCUUFRSTGX-UHFFFAOYSA-N,3,1,0.366,85,580,417.864,2.815,5,0.433,0.72,0.854,0.20402988143376052,0.25807861010211774,0.03335960523610445,0.0904324583647454,0.14647513878418203
EOS-3-35040,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5cccc(F)c5F)n34)nc2)nn1,JKILGMCXUIUVCU-UHFFFAOYSA-N,3,1,0.308,32,693,467.443,3.989,6,0.387,0.63,0.729,0.09080940305667877,0.16798882873003906,0.6288037146186005,0.6569374957165376,0.386134860530464
EOS-3-35041,FC(F)c1nc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)no1,UUPXGTQGCUIJKH-UHFFFAOYSA-N,3,1,0.495,15,482,470.827,3.844,5,0.349,0.73,1.0,0.6553697484750873,0.7184394489753958,0.3960232335001028,0.3917911726406689,0.5404059008978137
EOS-3-35042,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2C)cc(F)c1C,RTAYPXLKBUOXLY-UHFFFAOYSA-N,3,1,0.462,95,493,443.486,3.964,5,0.395,0.66,1.0,0.402671167157837,0.21256253855116167,0.5234134055239531,0.43592796929614147,0.39364377013227336
EOS-3-35043,Cc1nc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)cc5Cl)n34)nc2)cn1C,SWOGCXNTSZYVOH-UHFFFAOYSA-N,3,1,0.455,13,412,435.85,4.48,5,0.414,0.7,1.0,0.5894986635597286,0.7462048523062161,0.6855595915290248,0.6599616201768214,0.6703061818929478
EOS-3-35044,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nncs5)cc4F)n23)c(F)c1,VZKFRUNNJLSQJJ-UHFFFAOYSA-N,3,1,0.333,3,745,473.472,4.051,6,0.381,0.69,1.0,0.19565999588787608,0.3865824823521349,0.567053320540059,0.6105732986087314,0.4399672743472004
EOS-3-35045,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5ncco5)n4)n23)nc1,YASQBQBXTHKHQX-UHFFFAOYSA-N,3,1,0.302,76,114,419.408,3.36,6,0.423,0.64,0.973,0.05136728120074018,0.04514769378383935,0.09638647111232952,0.12523130697005003,0.07953318826673977
EOS-3-35046,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)cc1F,RUJBPZJYOKIHDU-UHFFFAOYSA-N,3,1,0.685,59,884,416.391,4.106,5,0.429,0.74,1.0,0.8712562538551162,0.8354722088958947,0.9152217120142554,0.9049157014598039,0.8817164690562675
EOS-3-35047,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccc2F)nn1C,BQEOEZCOGQCOSD-UHFFFAOYSA-N,3,1,0.529,4,391,468.855,3.801,5,0.387,0.66,1.0,0.5979542183537797,0.8523147830854636,0.41734630936878897,0.4914844767322322,0.5897749468850662
EOS-3-35048,Cc1ccc(-c2nnc3cncc(CCc4cc(F)c(-c5nnnn5C)nn4)n23)c(F)n1,WWGCUEKTCNYLNC-UHFFFAOYSA-N,3,1,0.348,36,784,435.402,1.539,5,0.378,0.59,0.957,0.2342454252621479,0.3336303200603111,0.016902542663285586,0.03763450071962168,0.15560319717634158
EOS-3-35049,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c[nH]c2=O)n1,UVXKKKCIDKTPRK-UHFFFAOYSA-N,3,1,0.484,55,879,430.403,2.358,5,0.422,0.6,1.0,0.5222397368240697,0.3485025015420465,0.3623809197450483,0.30592488520320743,0.38476201082859296
EOS-3-35050,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1,LXVZZRULUHFJBX-UHFFFAOYSA-N,3,1,0.341,69,898,435.516,4.982,6,0.39,0.73,1.0,0.11582482352134878,0.11650161058186553,0.6554554177232541,0.6310653827702009,0.3797118086491673
EOS-3-35051,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)n(C)n4)n23)cn1,FHCSBYUQFIWYDM-UHFFFAOYSA-N,3,1,0.409,7,694,417.408,2.403,5,0.401,0.71,1.0,0.2768316085258036,0.2483551504351998,0.20940991021862793,0.16601843602220548,0.22515377630045919
EOS-3-35052,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)nn1,INDCXLZLIVVQGU-UHFFFAOYSA-N,3,1,0.326,80,421,449.438,2.626,6,0.386,0.59,0.994,0.37615653485025013,0.17660715509560687,0.1042680419436639,0.08313343842094442,0.18504129257761634
EOS-3-35053,CNC(=O)c1ccc(-c2nnc3cncc(C(C)c4cccc(Cl)c4F)n23)nc1,OYZNZBWFQUSKLS-UHFFFAOYSA-N,3,1,0.422,63,505,410.84,3.49,4,0.556,0.7,0.998,0.23425399218696458,0.2532125968062504,0.7886025632239051,0.7057432663970941,0.4954531046535535
EOS-3-35054,Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)nn1,LXBWAQLQSPKNNU-UHFFFAOYSA-N,3,1,0.478,4,390,431.847,2.974,5,0.387,0.59,1.0,0.4745305325200466,0.7275974916044137,0.16277157151668836,0.1934497292851758,0.3895873312315811
EOS-3-35055,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5nnn(C)n5)cc4F)n23)cc1F,XSXQVTXMDJDWAO-UHFFFAOYSA-N,3,1,0.443,36,788,478.423,1.594,5,0.386,0.67,0.998,0.4598639572339113,0.3246264820779933,0.19195051744225894,0.15281680487972038,0.282314440408471
EOS-3-35056,COc1cc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)ncn1,VIMCNXQGEYNNCU-UHFFFAOYSA-N,3,1,0.517,15,729,459.897,3.927,5,0.337,0.69,1.0,0.8039373586457406,0.7589695702830512,0.5769052840792269,0.4946285381399493,0.658610187786992
EOS-3-35057,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)nc1,AZQAEXXDWQBPQJ-UHFFFAOYSA-N,3,1,0.5,88,749,464.863,4.801,5,0.359,0.75,1.0,0.9038534027825372,0.9161383729696388,0.8590569529161812,0.8894352683160852,0.8921209992461107
EOS-3-35058,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCc3cncc(Cl)n3)n12,LIAYJTPBYSBYOA-UHFFFAOYSA-N,3,1,0.433,7,94,461.873,2.983,5,0.372,0.63,1.0,0.5143238982934686,0.4905335480775821,0.14707696525255295,0.10891131519429785,0.31521143170447535
EOS-3-35059,Fc1ccccc1-c1cnnc(-c2nnc3cncc(OCc4cccnc4F)n23)c1,JCVOQNWDDNPPTL-UHFFFAOYSA-N,3,1,0.429,19,207,417.379,3.501,5,0.404,0.71,1.0,0.6583767390857378,0.5687324378041259,0.7452539236515661,0.7714772805153862,0.685960095264204
EOS-3-35060,Cn1ncc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1-c1ccccc1,SSZPLBMFOZUHTA-UHFFFAOYSA-N,3,1,0.692,91,660,414.444,3.952,5,0.421,0.78,1.0,0.5428003563840724,0.522565279967103,0.5670618874648756,0.6075577410732643,0.5599963162223288
EOS-3-35061,CCc1nc(-c2nnc3cncc(OCc4ccc(C)nc4C)n23)ccc1-c1cc(C)ncn1,KJCXAXKWCXTNFB-UHFFFAOYSA-N,3,1,0.417,31,690,452.522,4.105,5,0.379,0.66,0.996,0.3852203413062847,0.15644061407717086,0.1658213967514221,0.07974950311836064,0.19680796381330956
EOS-3-35062,Fc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,JQCLAOMWDZYDHR-UHFFFAOYSA-N,3,1,0.439,54,873,448.849,3.452,5,0.364,0.62,0.998,0.6583853060105544,0.6603642656432047,0.410072990199438,0.5078216023576178,0.5591610410527037
EOS-3-35063,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)cnn4)n23)nc1Cl,RWKFMHREQJMGEJ-UHFFFAOYSA-N,3,1,0.43,19,207,448.849,3.452,5,0.364,0.62,1.0,0.6492957987800699,0.6651617435405387,0.3287214721403605,0.45476663696799396,0.5244864128572408
EOS-3-35064,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)nc1,AWBLBQVAUGOMIP-UHFFFAOYSA-N,3,1,0.467,75,420,428.431,3.373,5,0.42,0.6,1.0,0.7008601192515934,0.5503221163731067,0.384929065862518,0.2903930505105887,0.4816260879994517
EOS-3-35065,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)s1,NQHPJOODVOSCMH-UHFFFAOYSA-N,3,1,0.407,7,535,436.888,3.641,5,0.411,0.6,1.0,0.3984134055239531,0.45528065245699406,0.2305702145157974,0.22826571174011376,0.3281324960592145
EOS-3-35066,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c(F)n1,MISQONVRYPBKCT-UHFFFAOYSA-N,3,1,0.494,65,262,434.41,2.882,5,0.379,0.6,1.0,0.8065417037900076,0.6361455691864848,0.4031594818723871,0.3887242135563018,0.5586427421012954
EOS-3-35067,COc1ccnnc1COc1cncc2nnc(-c3ccc(Oc4ccc(Cl)cc4)cc3)n12,YHJWBCBKUGMRLE-UHFFFAOYSA-N,3,1,0.529,1,881,460.881,4.615,5,0.347,0.77,1.0,0.8397299705297786,0.8247978205743266,0.6691624974299225,0.6280412583099171,0.7404328867109862
EOS-3-35068,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nn5)s4)n23)cc1F,ITQSLZFRBHLFSV-UHFFFAOYSA-N,3,1,0.464,4,788,480.46,2.922,5,0.394,0.7,1.0,0.5119165924199849,0.4331522856555411,0.30302069769035705,0.25158488109108357,0.37491861421424166
EOS-3-35069,COc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)c(C)n1,PNAIIKFVDDVFBP-UHFFFAOYSA-N,3,1,0.557,35,426,457.469,3.721,5,0.365,0.65,1.0,0.8688746487560826,0.7369611404290316,0.47816290864231376,0.3562127338770475,0.6100528579261187
EOS-3-35070,COc1nc(-c2cccnc2C)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,CYFOUCHUXGTDLR-UHFFFAOYSA-N,3,1,0.465,35,710,457.469,3.721,5,0.365,0.65,0.999,0.7815519840997875,0.5982197930230965,0.4173548762936056,0.30245528065245697,0.5248954835172367
EOS-3-35071,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)cc1,BAAIVKFPOLUBCP-UHFFFAOYSA-N,3,1,0.347,74,139,408.425,2.67,5,0.487,0.8,1.0,0.14010348845178536,0.04515626070865602,0.31398636145569186,0.22226029744362963,0.1803766020149407
EOS-3-35072,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4Cl)n23)cn1,PYSKCWYLQZXHLH-UHFFFAOYSA-N,3,1,0.565,37,684,463.954,4.597,5,0.363,0.76,1.0,0.6738657391542732,0.8090946473853745,0.362389486669865,0.34031252141731205,0.5464155986567062
EOS-3-35073,Fc1cc(-n2ccnc2)ccc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,KWCQIUSTIDXUCX-UHFFFAOYSA-N,3,1,0.459,27,69,437.385,4.028,5,0.399,0.63,1.0,0.6345863888698513,0.6310054142964842,0.9328096086628743,0.8853831128778014,0.7709461311767527
EOS-3-35074,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnc5)c4)n23)cc1,XPGRQERUOBSXAX-UHFFFAOYSA-N,3,1,0.466,56,415,462.477,3.018,6,0.367,0.62,1.0,0.501884723459667,0.26870159687478584,0.32873003906517717,0.2667140703173189,0.34150760742923725
EOS-3-35075,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccccn1,ZNBNIMPEPUVALY-UHFFFAOYSA-N,3,1,0.479,11,814,447.861,4.057,5,0.362,0.65,0.992,0.829766636967994,0.8169676512918923,0.5435371119183058,0.6012524844081968,0.6978809711465972
EOS-3-35076,Clc1cccc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)n1,KIVBBPQATMGBKE-UHFFFAOYSA-N,3,1,0.483,24,267,415.844,3.876,5,0.402,0.74,1.0,0.4412651634569255,0.48137550544856417,0.4920413268453156,0.534815982454938,0.4873744945514358
EOS-3-35077,Fc1cc(COc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)cc(F)n1,UAGAKVFRHACZEC-UHFFFAOYSA-N,3,1,0.411,46,565,418.367,2.896,5,0.402,0.65,1.0,0.6289407854156672,0.46825954355424576,0.6173069015146323,0.5861918305804948,0.5751747652662601
EOS-3-35078,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nnc2Cl)nc1,WACYCOXCLHKNRZ-UHFFFAOYSA-N,3,1,0.456,65,65,449.837,2.847,5,0.385,0.57,1.0,0.8667586183263656,0.8208313343842094,0.22319409224864642,0.3024638475772737,0.5533119731341237
EOS-3-35079,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccn(C(F)F)n4)n23)cn1,MGHPWLVQXIDQBO-UHFFFAOYSA-N,3,1,0.433,7,185,464.396,1.913,5,0.381,0.59,1.0,0.4647556713042286,0.3582002604345144,0.16278013844150505,0.10455075046261395,0.2725717051607155
EOS-3-35080,Cc1ccc(-c2nnc3cncc(CCc4cc(F)c(-c5ccc(F)nc5)cn4)n23)cc1,FEZMYNGKQKLXCI-UHFFFAOYSA-N,3,1,0.406,14,886,428.446,4.62,5,0.382,0.72,1.0,0.48685833733123157,0.6310139812213008,0.8136950860119252,0.8122986772668083,0.6859665204578165
EOS-3-35081,Cc1c(-c2cncc(-c3cncc4nnc(-c5cnccc5-c5cccc(F)c5)n34)c2)cnn1C,BJKGUWYNNUUMOL-UHFFFAOYSA-N,3,1,0.326,42,106,462.492,4.763,6,0.375,0.77,1.0,0.1054674114179974,0.19374957165375917,0.6936724693304092,0.6889863614556919,0.42046895346446445
EOS-3-35082,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5nccs5)ccn4)n23)c1,BNWXAWXNVGNGHD-UHFFFAOYSA-N,3,1,0.517,11,692,452.902,4.724,5,0.371,0.73,1.0,0.6122010143238983,0.6846600644232747,0.6882239051470084,0.7407905558220821,0.6814688849290659
EOS-3-35084,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)cn1,APKAELAHONLYRD-UHFFFAOYSA-N,3,1,0.533,65,552,444.886,3.622,5,0.366,0.63,1.0,0.752578644369817,0.8458895894729628,0.42112432321293947,0.4009149475704201,0.6051268761565348
EOS-3-35085,Cc1nc(C)c(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)s1,ATOHDNNKLKSZRS-UHFFFAOYSA-N,3,1,0.57,75,496,429.509,3.943,5,0.404,0.68,1.0,0.4460283736549928,0.319940374203276,0.1320248783496676,0.10252895620588033,0.2501306456034542
EOS-3-35086,Fc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)nc4)n23)nn1,CQLFUHICTIBTPC-UHFFFAOYSA-N,3,1,0.329,10,705,469.871,4.289,6,0.379,0.69,1.0,0.020123706394352684,0.2432663970940991,0.5234219724487698,0.677506682201357,0.36607968953464465
EOS-3-35087,CCn1nc(C)nc1-c1cc(-c2cncc3nnc(-c4cncnc4-c4ccncc4)n23)ccn1,JAWHFCBKGKXVQU-UHFFFAOYSA-N,3,1,0.267,94,723,461.493,3.292,6,0.38,0.65,0.999,0.04814611746967309,0.014949283805085327,0.0415410184360222,0.05054485641834007,0.03879531903228017
EOS-3-35088,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)nn1,IBYAKLAPWZSUSK-UHFFFAOYSA-N,3,1,0.75,91,781,461.888,4.366,5,0.371,0.68,1.0,0.9186484819409225,0.9178945925570557,0.67492803783154,0.6919419505174422,0.8008532657117402
EOS-3-35089,Fc1cccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c1,KALFVOBVXIPIOP-UHFFFAOYSA-N,3,1,0.556,57,461,449.848,5.364,5,0.361,0.89,1.0,0.9559317387430608,0.9796449866355973,0.9351055445137414,0.9560431087656774,0.9566813446645193
EOS-3-35090,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cc(Cl)n1,HLSSHVRQAJYGQO-UHFFFAOYSA-N,3,1,0.549,97,210,464.316,4.838,5,0.344,0.79,1.0,0.9158385306010555,0.939294770749092,0.7067113289013776,0.7536666438215338,0.8288778185182647
EOS-3-35092,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)[nH]c1F,ZVJIIORSXQPWOF-UHFFFAOYSA-N,3,1,0.526,65,981,450.865,3.694,5,0.42,0.62,0.999,0.722534439037763,0.7888253032691385,0.46432732506339525,0.4763381536563635,0.613006305256665
EOS-3-35093,Clc1cncc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,YBCPZBPKHIFASD-UHFFFAOYSA-N,3,1,0.476,65,559,465.304,3.967,5,0.371,0.64,1.0,0.7643667329175519,0.8013244465766568,0.547092385717223,0.6340552395312179,0.6867097011856624
EOS-3-35094,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cc4)n23)cc1,WNBZJQWNKZYEGB-UHFFFAOYSA-N,3,1,0.4,93,228,464.92,4.969,6,0.366,0.78,1.0,0.23426255911178123,0.36775238160509904,0.64993831814132,0.7665684325954355,0.5046304228634089
EOS-3-35095,Cc1ccc(-c2cc(F)cc(-c3nnc4cncc(COc5ccc(F)cn5)n34)c2)cn1,AZWKMWHJDQOVHO-UHFFFAOYSA-N,3,1,0.394,14,189,430.418,4.414,5,0.411,0.63,1.0,0.5778048111849771,0.6507179082996367,0.853077239394147,0.8098913713933247,0.7228728325680214
EOS-3-35096,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1F,KJSLCOHDPHTWNZ-UHFFFAOYSA-N,3,1,0.517,37,353,467.867,4.14,5,0.373,0.66,1.0,0.8849633335617847,0.870151120553766,0.737672195188815,0.7588582002604345,0.8129112123912
EOS-3-35097,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)cn5)n4)n23)ccc1Cl,FLPAPLDSFOYLJI-UHFFFAOYSA-N,3,1,0.467,73,401,464.316,4.838,5,0.368,0.77,1.0,0.6583938729353711,0.8320368720444109,0.7169573709821122,0.7761548214652868,0.7458857343567953
EOS-3-35098,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ncc(C(F)F)cn5)n34)c2)s1,IXAUFLVRRZURLA-UHFFFAOYSA-N,3,1,0.456,27,506,452.45,3.925,5,0.382,0.65,1.0,0.5275854979096704,0.5225738468919197,0.4135083270509218,0.35622130080186415,0.454972243163594
EOS-3-35099,COc1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1F,LHQXLBMONQRXJD-UHFFFAOYSA-N,3,1,0.298,63,108,405.393,2.288,5,0.543,0.91,0.998,0.2962785278596395,0.22289424988006304,0.11207251045164827,0.12064800219313275,0.18797332259612087
EOS-3-35100,c1ccc(-c2nccnc2-c2nnc3cncc(OCc4nccc(-c5ccncc5)n4)n23)nc1,MOQMWHGXFWOUNI-UHFFFAOYSA-N,3,1,0.394,80,114,460.461,3.074,6,0.365,0.64,1.0,0.25317832910698373,0.1808649167294908,0.10427660886848057,0.10891988211911452,0.16180993420601741
EOS-3-35101,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cnc2F)ncn1,ZKMKWVYDZLKNDO-UHFFFAOYSA-N,3,1,0.473,4,354,448.849,3.718,5,0.375,0.66,1.0,0.6584024398601878,0.7230827222260298,0.6054074429442807,0.5832876430676445,0.6425450620245357
EOS-3-35102,FC(F)c1cnc(COc2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)nc4)n23)cn1,MCBVIPFSFSIJLJ-UHFFFAOYSA-N,3,1,0.446,27,69,466.839,4.208,5,0.343,0.73,1.0,0.6801024604208074,0.7846960455075046,0.7222945651428964,0.6804879720375574,0.7168952607771915
EOS-3-35103,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)s1,FFLWEHMDMTYKQY-UHFFFAOYSA-N,3,1,0.465,51,196,454.878,3.78,5,0.395,0.65,1.0,0.6710557878144061,0.7323264341032143,0.2661743540538688,0.32418956891234324,0.4984365362209581
EOS-3-35104,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5c[nH]nn5)n4)n23)n1,KIQVGDNAOQBXJI-UHFFFAOYSA-N,3,1,0.255,76,368,432.451,3.404,6,0.449,0.56,0.716,0.04086423137550545,0.07830169282434378,0.17563909259132343,0.1879154958536084,0.12068012816119526
EOS-3-35105,OCCn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,NKANFZOHMSCZOF-UHFFFAOYSA-N,3,1,0.463,65,349,462.901,2.712,5,0.35,0.69,1.0,0.3414947570420122,0.3044856418340073,0.39965560962236996,0.3887327804811185,0.358592197244877
EOS-3-35106,O=c1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccc2F)cnn1CCO,IGKJAXIDEXJIFU-UHFFFAOYSA-N,3,1,0.478,16,605,465.47,2.182,5,0.388,0.65,1.0,0.36225241587279833,0.32463504900280993,0.25539716263450074,0.28714618600507164,0.30735770337879514
EOS-3-35107,Cc1ccc(F)c(-c2c(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cnn2C)n1,HKRIWNCHUUVZIG-UHFFFAOYSA-N,3,1,0.329,61,121,435.413,4.639,5,0.411,0.66,1.0,0.17042183537797273,0.37737303817421697,0.8560156946062641,0.8304519909533274,0.5585656397779453
EOS-3-35108,COc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ccn3)n12,PHFPLALGGDJQNV-UHFFFAOYSA-N,3,1,0.527,11,710,459.897,3.927,5,0.361,0.67,0.997,0.767459392776369,0.67482523473374,0.38493763278733467,0.36309197450483177,0.5475785587005688
EOS-3-35109,COc1cc(-c2cnn(C)c2C)ccc1-c1nnc2cncc(OCc3nccc(Cl)n3)n12,JPLWXWPYOMPYTR-UHFFFAOYSA-N,3,1,0.394,16,375,462.901,3.531,5,0.353,0.72,1.0,0.3942413131382359,0.415127475841272,0.3178843122472757,0.2192361729833459,0.3366223185525324
EOS-3-35110,Cn1c(C2CCOC2=O)cnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,NGCBWRLSOIVLLV-UHFFFAOYSA-N,3,1,0.309,52,336,437.463,3.284,6,0.398,0.63,0.999,0.08823075868686177,0.03781440614077171,0.08217394284147762,0.1476766499897197,0.0889739394147077
EOS-3-35111,N#Cc1ccc(Oc2ccc(-c3nnc4cncc(CCc5cccnc5)n34)cc2)cc1,OPKAYFIWWSBWCS-UHFFFAOYSA-N,3,1,0.462,62,886,418.46,4.635,5,0.399,0.81,1.0,0.5479833458981564,0.4375985196353917,0.7886111301487219,0.7738074840655198,0.6370001199369475
EOS-3-35112,COCC(F)(F)c1ncc(-c2nnc3cncc(-c4cccc(-c5cccc(F)c5)n4)n23)cn1,VKSXSOXQHBVIIE-UHFFFAOYSA-N,3,1,0.337,96,140,463.423,4.188,5,0.373,0.68,1.0,0.3344099102186279,0.5454475361524227,0.8208827359331095,0.7536752107463505,0.6136038482626276
EOS-3-35113,Cc1csc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)cnn4)n23)n1,DUSIJQWLCOQNSQ-UHFFFAOYSA-N,3,1,0.455,4,207,419.445,3.731,5,0.429,0.71,1.0,0.43669899252964156,0.49543382907271605,0.32509766294291004,0.3693886642450826,0.4066547871975876
EOS-3-35114,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5nccn5C)c4)n23)n(C)n1,FPSZQNPNQULCSO-UHFFFAOYSA-N,3,1,0.471,36,662,418.436,2.952,5,0.436,0.66,1.0,0.4719690219998629,0.5362723596737715,0.3030292646151737,0.23704680967719827,0.3870793639915016
EOS-3-35115,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1,KFCKQRSDAKJVMB-UHFFFAOYSA-N,3,1,0.582,35,353,415.432,3.347,5,0.423,0.71,1.0,0.9145106572544719,0.7589781372078679,0.5570214515797409,0.5046347063258173,0.6837862380919745
EOS-3-35116,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)nc2)n1,YXCVLQULDKTPKT-UHFFFAOYSA-N,3,1,0.422,31,662,413.445,2.573,5,0.432,0.76,1.0,0.25063395243643344,0.13030292646151737,0.07118257830169282,0.03452470701117127,0.12166104105270373
EOS-3-35118,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)ncn2)ccn1,YKSWQYOWAIINSF-UHFFFAOYSA-N,3,1,0.396,31,602,429.419,2.502,5,0.401,0.56,0.837,0.5835103831128778,0.45062881228154344,0.19530018504557603,0.17402851072578987,0.3508669727914468
EOS-3-35119,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)nc1,NODGREUWVHLXSW-UHFFFAOYSA-N,3,1,0.382,65,65,450.825,2.242,5,0.379,0.56,1.0,0.6617349736138716,0.6507264752244535,0.09904221780549653,0.17145843328078952,0.3957405249811528
EOS-3-35120,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5cc(F)ncn5)cc4Cl)n23)nc1,ZHMPJIFJKJXDDL-UHFFFAOYSA-N,3,1,0.383,46,915,452.812,3.549,5,0.373,0.61,1.0,0.7983088890411898,0.7184480159002125,0.727537523130697,0.7588667671852511,0.7507902988143376
EOS-3-35121,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nn1C,ZMHLQQSBTPOICF-UHFFFAOYSA-N,3,1,0.34,51,924,436.867,2.431,5,0.398,0.57,0.999,0.1758018641628401,0.17661572202042355,0.049688163936673295,0.053123500788157085,0.11380731272702352
EOS-3-35122,Fc1ncc(COc2cncc3nnc(-c4cccc(-c5ccsc5)c4)n23)nc1Cl,LYEVFKIIYOFRRS-UHFFFAOYSA-N,3,1,0.512,97,401,438.875,4.681,5,0.396,0.7,1.0,0.6037968610787472,0.6556781577684874,0.6855681584538414,0.7329261188403811,0.6694923240353643
EOS-3-35123,Cc1cnc(F)c(Oc2cncc3nnc(-c4ncc(-c5cccnc5F)cn4)n23)c1,LAPGMMXZZVBYDP-UHFFFAOYSA-N,3,1,0.34,2,242,418.367,3.417,5,0.409,0.68,1.0,0.7131879240627784,0.5840329655266946,0.530198409978754,0.4855732986087314,0.5782481495442396
EOS-3-35124,COc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ncc(F)cn1,OUHJBSLCKMJJDX-UHFFFAOYSA-N,3,1,0.447,49,896,462.42,2.947,5,0.337,0.66,1.0,0.8488537454595299,0.6173069015146323,0.347200328969913,0.28136351175382085,0.523681121924474
EOS-3-35125,Clc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3cnccn3)n12,SUTMDLIXQVHGFR-UHFFFAOYSA-N,3,1,0.525,2,815,420.885,4.542,5,0.415,0.76,1.0,0.5895072304845452,0.7548403125214174,0.6614351312452882,0.7057518333219107,0.6778836268932904
EOS-3-35126,c1ccc(-c2cccnc2-c2nnc3cncc(-c4n[nH]c(-c5ccsc5)n4)n23)cc1,GSTGDZXYRHDABU-UHFFFAOYSA-N,3,1,0.275,30,301,422.477,4.367,6,0.453,0.7,0.988,0.0731872387087931,0.12707319580563362,0.20582893564526078,0.31820128846549245,0.18107266465629498
EOS-3-35127,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)n4)n23)ccn1,DMDDZBYJOIJHSL-UHFFFAOYSA-N,3,1,0.444,46,565,450.289,4.529,5,0.364,0.72,1.0,0.7131964909875951,0.6996436159276266,0.6802223973682407,0.7486378589541498,0.710425090809403
EOS-3-35128,Cc1cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)n2)n(C)n1,GLNCSUBUAGVJOT-UHFFFAOYSA-N,3,1,0.302,33,432,412.417,1.451,5,0.467,0.69,1.0,0.054605578781440615,0.01360427660886848,0.04154958536083887,0.02229113837296964,0.0330126447810294
EOS-3-35129,Fc1ccc(COc2cncc3nnc(-c4ccc(OCc5ccc(Cl)cc5)nc4)n23)cn1,XHMPMHPIJLQALF-UHFFFAOYSA-N,3,1,0.595,97,992,462.872,4.532,5,0.328,0.79,1.0,0.8849719004866013,0.8756682201357001,0.871933040915633,0.8364231375505449,0.8672490747721198
EOS-3-35130,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cccc(-c4cncnc4)c3)n12,LAFKGZJQSXOILF-UHFFFAOYSA-N,3,1,0.534,35,215,447.861,4.057,5,0.387,0.61,1.0,0.8418374340346789,0.8671441299431156,0.797272291138373,0.8123072441916249,0.829640274826948
EOS-3-35131,Cc1cnnc(-c2nc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c(F)cc2F)n1,IXSGWCCVKANGGK-UHFFFAOYSA-N,3,1,0.435,7,434,468.815,2.647,5,0.355,0.66,0.888,0.6232095127133165,0.754848879446234,0.21977588924679597,0.28440477006373793,0.4705597628675211
EOS-3-35132,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)cc2F)n[nH]1,RDXDQSGNZRLXOJ-UHFFFAOYSA-N,3,1,0.484,37,482,435.398,2.575,5,0.432,0.57,1.0,0.7955931738743061,0.7589867041326845,0.2697895963265026,0.2785192927146871,0.5257221917620452
EOS-3-35133,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5nnccc5F)c4)n23)c(F)c1,BVUCQCPQARCTOX-UHFFFAOYSA-N,3,1,0.517,43,146,448.408,4.553,5,0.393,0.67,1.0,0.9021742855184703,0.9161469398944555,0.9262901788773902,0.917192104722089,0.9154508772531011
EOS-3-35134,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3cncc(F)c3)n12,BKWMTCDDJUDSGO-UHFFFAOYSA-N,3,1,0.468,65,804,446.446,2.751,5,0.376,0.62,0.999,0.6317336029059009,0.4464224521965595,0.2128795147693784,0.14531217874031938,0.35908693715303946
EOS-3-35135,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)cc2F)n1,JXNUDORWKVHYSC-UHFFFAOYSA-N,3,1,0.517,73,469,466.839,3.857,5,0.384,0.64,1.0,0.7815605510246042,0.8354807758207115,0.7067198958261942,0.7247618394900966,0.7621307655404016
EOS-3-35136,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cc2)nc1,IXILZAFCSDFZDZ-UHFFFAOYSA-N,3,1,0.356,69,220,445.461,5.116,6,0.375,0.76,1.0,0.3064988691659242,0.3912857240764855,0.719724487697896,0.7486464258789665,0.541538876704818
EOS-3-35137,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccncc5F)nc(Cl)n4)n23)nn1,HYYXMBANRUEVPQ-UHFFFAOYSA-N,3,1,0.426,53,587,449.837,3.113,5,0.373,0.61,0.508,0.5532091700363237,0.5640720307038586,0.3178928791720924,0.3435508189980125,0.4446812247275719
EOS-3-35138,Cc1ccc(-c2nnc3cncc(-c4nc(C(F)(F)F)nn4C)n23)c(-c2cccnn2)n1,GQHKNPMPXTWUFV-UHFFFAOYSA-N,3,1,0.292,50,542,438.377,2.766,5,0.423,0.53,0.812,0.140112055376602,0.22290281680487972,0.262610513330135,0.18792406277842505,0.20338736207251046
EOS-3-35139,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1,GQNYUEFXBBWDLF-UHFFFAOYSA-N,3,1,0.265,98,154,419.412,2.49,6,0.457,0.6,1.0,0.10773764649441436,0.09460455075046262,0.09639503803714619,0.14532074566513603,0.1110144952367898
EOS-3-35140,Cc1nc(-c2cnc(CO)cn2)cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)n1,WHOMOPZQJOFMPT-UHFFFAOYSA-N,3,1,0.37,7,330,461.873,2.466,5,0.375,0.64,1.0,0.4893427455280652,0.44643101912137617,0.2232026591734631,0.21391611267219518,0.3432231341237749
EOS-3-35141,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)c2)cn1,JPSPZFFCTWRZEE-UHFFFAOYSA-N,3,1,0.429,7,720,436.888,3.641,5,0.411,0.63,1.0,0.4530275512302104,0.47266294291001304,0.20941847714344458,0.2222688643684463,0.33934445891302856
EOS-3-35142,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5nc(Cl)cnc5F)n34)ccc2F)o1,HUMMBTOLWXAAMK-UHFFFAOYSA-N,3,1,0.489,37,494,469.839,4.098,5,0.366,0.74,1.0,0.9070402988143376,0.8701596874785826,0.5634894798163251,0.5862003975053115,0.7317224659036392
EOS-3-35143,Fc1ccc(-c2nnc3cncc(OCCc4scnc4Cl)n23)cc1-c1cnncn1,OOSCZNWYDLYCIK-UHFFFAOYSA-N,3,1,0.553,37,125,454.878,3.514,5,0.384,0.62,0.989,0.9052669453772874,0.9058666301144541,0.40316804879720375,0.5010451648276335,0.6788366972791446
EOS-3-35144,Fc1nc(-c2cncnn2)ccc1-c1cncc2nnc(-c3nccnc3-c3ccccn3)n12,FOYJDOGDOMUCEB-UHFFFAOYSA-N,3,1,0.284,39,114,449.413,2.696,6,0.37,0.58,0.994,0.214901309026112,0.23276334726886436,0.1627887053663217,0.21924473990816257,0.20742452539236517
EOS-3-35145,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)s2)nc1,LJWIXYFAOWLAEN-UHFFFAOYSA-N,3,1,0.329,38,126,423.461,4.632,6,0.408,0.72,1.0,0.16236892605030498,0.21747138647111233,0.4031766157220204,0.41677232540607223,0.29994731341237746
EOS-3-35146,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,UITPMNWTUGCXQZ-UHFFFAOYSA-N,3,1,0.474,87,173,447.861,4.057,5,0.362,0.68,1.0,0.8249520252210266,0.816976218216709,0.6083116304571311,0.6629514769378384,0.7282978377081764
EOS-3-35147,Fc1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)c2)ccn1,CJVFATWWXURNEY-UHFFFAOYSA-N,3,1,0.495,72,132,431.406,3.543,5,0.38,0.6,1.0,0.7404735796038654,0.7503512439174834,0.6441213761908026,0.659970187101638,0.6987290967034474
EOS-3-35148,Cn1nc(-c2ccc(=O)n(C)n2)cc1-c1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,MBXIRJFYYVXZIH-UHFFFAOYSA-N,3,1,0.289,70,968,462.477,2.41,6,0.392,0.6,0.913,0.054614145706257285,0.06765300527722569,0.13832156808991844,0.13815022959358508,0.09968473716674663
EOS-3-35149,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncccc5F)n4)n23)cc1,YNFKBMRMICYSKD-UHFFFAOYSA-N,3,1,0.511,89,770,413.416,3.67,5,0.434,0.77,1.0,0.8346155164142279,0.7888338701939552,0.42488520320745665,0.4071259680625043,0.613865139469536
EOS-3-35150,N#Cc1cc(-c2nnc3cncc(Oc4ccc(-c5nnc6ccccn56)nn4)n23)ccc1Cl,NQFLFGHXUJHHBI-UHFFFAOYSA-N,3,1,0.376,67,622,466.852,3.608,6,0.382,0.64,1.0,0.7700551709958193,0.8091032143101912,0.4609348228359948,0.5609022685216914,0.6502488691659242
EOS-3-35151,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)c2)nn1,CNSOILNEXKTDBT-UHFFFAOYSA-N,3,1,0.31,3,581,462.452,3.61,6,0.387,0.6,1.0,0.2040384483585772,0.32895277911041054,0.2661829209786855,0.3662274689877322,0.2913504043588514
EOS-3-35152,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c(F)c2)ns1,YTMJKLJGDQSOHV-UHFFFAOYSA-N,3,1,0.615,13,573,440.41,4.828,5,0.398,0.78,1.0,0.7898533342471387,0.7968953464464396,0.8228102940168597,0.8345298471660613,0.8110222054691247
EOS-3-35153,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)c(F)n4)n23)n(C)n1,QCFVIMVCFONTOA-UHFFFAOYSA-N,3,1,0.368,53,237,435.398,2.542,5,0.388,0.59,0.936,0.3737920636008498,0.3582088273593311,0.2589781372078679,0.22827427866493044,0.3048133267082448
EOS-3-35154,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)n1,AENIJOWPNYGAQD-UHFFFAOYSA-N,3,1,0.576,11,848,434.912,4.585,5,0.364,0.72,1.0,0.8886556781577685,0.9058751970392708,0.5267545062024536,0.567387430607909,0.7221682030018505
EOS-3-35155,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)c(F)n3)n12,RTNHLYZUIIISEW-UHFFFAOYSA-N,3,1,0.473,11,699,431.406,3.543,5,0.38,0.63,0.999,0.7437033102597491,0.7045267630731272,0.4988862997738332,0.5244328695771366,0.6178873106709616
EOS-3-35156,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cccc(-n5cccn5)n4)n23)cc1,DBYOBXLHKAKZCD-UHFFFAOYSA-N,3,1,0.298,98,865,420.44,2.834,6,0.432,0.59,1.0,0.006065382770200809,0.012284970187101637,0.20942704406826126,0.21392467959701186,0.11042551915564389
EOS-3-35157,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,IGAOYUNCEIHOBL-UHFFFAOYSA-N,3,1,0.462,87,227,453.89,4.119,5,0.382,0.67,0.999,0.832319580563361,0.8169847851415256,0.5471009526420396,0.5862089644301282,0.6956535706942636
EOS-3-35158,Fc1ccc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,IHXWVFRUPPFTBD-UHFFFAOYSA-N,3,1,0.443,11,157,465.851,4.196,5,0.347,0.69,0.996,0.737569392091015,0.7719056267562195,0.7754094990062367,0.8123158111164417,0.7743000822424781
EOS-3-35159,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)nc2)on1,UEULORPAJVVKEJ-UHFFFAOYSA-N,3,1,0.314,38,818,421.42,4.472,6,0.41,0.72,1.0,0.16511034199163868,0.1411486532794188,0.49889486669864985,0.44527448427112604,0.31260708656020836
EOS-3-35160,Cc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(C(C)N4CCOCC4)cc3)n12,NJKDMTLGQOOFQU-UHFFFAOYSA-N,3,1,0.539,63,536,464.957,4.12,5,0.424,0.67,0.993,0.4868669042560482,0.2840021245973545,0.24850078815708312,0.33390446165444454,0.33831856966623264
EOS-3-35161,CCn1c(-c2cccc(F)c2F)nnc1-c1cncc2nnc(-c3ccc(-c4cc[nH]n4)cn3)n12,ZOXYSGOUGLKFKM-UHFFFAOYSA-N,3,1,0.266,8,474,470.447,3.8,6,0.407,0.62,0.741,0.1788088547734905,0.31462888081694196,0.26619148790350217,0.3887413474059352,0.28709264272496743
EOS-3-35162,Cc1ncc(-c2cc(C#N)nc(-c3cncc4nnc(-c5cc(C)c(C)nc5C)n34)c2)nn1,YTJZYNIEYONIOW-UHFFFAOYSA-N,3,1,0.267,50,974,434.467,3.206,5,0.42,0.53,1.0,0.1758104310876568,0.1337296963881845,0.16582996367623878,0.11609896511548215,0.14786726406689055
EOS-3-35163,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)ccn1,MMZUAYXYJRPKKV-UHFFFAOYSA-N,3,1,0.448,87,132,448.849,3.452,5,0.364,0.61,1.0,0.652337057089987,0.7369697073538483,0.5267630731272702,0.5832962099924611,0.6248415118908917
EOS-3-35164,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ncn2)nn1,BAPUTXRLAKKNJV-UHFFFAOYSA-N,3,1,0.523,4,32,414.404,3.065,5,0.432,0.68,1.0,0.7318124186142142,0.8131125351243917,0.3996641765471866,0.37916352546090054,0.5809381639366733
EOS-3-35165,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)ns1,KCHUVRFUAOGJBS-UHFFFAOYSA-N,3,1,0.506,87,131,450.915,3.683,5,0.386,0.66,1.0,0.532442944280721,0.6077890480433144,0.1502552943595367,0.19345829620999247,0.37098639572339115
EOS-3-35166,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)nc1,UTEIDIPZYNBCGC-UHFFFAOYSA-N,3,1,0.548,87,419,435.9,3.98,5,0.398,0.64,1.0,0.6203909944486328,0.6798882873003906,0.43582516619834144,0.47634672058118016,0.5531127921321363
EOS-3-35167,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4nc(Cl)cs4)n23)nn1,BQXYWBXCDYWMJH-UHFFFAOYSA-N,3,1,0.437,53,670,425.865,2.671,5,0.422,0.63,0.87,0.2908213967514221,0.40109485299157016,0.059034678911657874,0.0797580700431773,0.20767724967445686
EOS-3-35168,OCC#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)cn1,MQMPPUSNPAPGMC-UHFFFAOYSA-N,3,1,0.432,15,815,424.424,1.894,5,0.41,0.67,1.0,0.6463402097183195,0.5314748817764375,0.43215852237680763,0.3152371324789254,0.4813026865876225
EOS-3-35169,COc1ccccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cnn1,ALZQHDSVYJIROD-UHFFFAOYSA-N,3,1,0.391,9,553,476.475,4.52,6,0.358,0.79,1.0,0.4719775889246796,0.46401034884517856,0.6441299431156192,0.5833047769172778,0.5408556644506888
EOS-3-35170,Cn1nccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5c[nH]c(=N)cn5)cc4)n23)ncn1,PBDOWGUGGBBMNV-UHFFFAOYSA-N,3,1,0.28,38,865,447.466,2.518,6,0.423,0.69,1.0,0.05288362689329038,0.011402576930984855,0.2662000548283188,0.21664896168871223,0.13678380508532656
EOS-3-35171,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc(Cl)n1,WFJSFNAAUHUMSA-UHFFFAOYSA-N,3,1,0.512,75,578,450.865,3.396,5,0.366,0.62,1.0,0.7437118771845658,0.6507350421492701,0.46094338976081145,0.467325748749229,0.5806790144609691
EOS-3-35172,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cncnc5)n34)nc2)nc1,HBALPOOOHBMMRN-UHFFFAOYSA-N,3,1,0.303,94,392,443.474,4.076,6,0.401,0.59,0.987,0.10293160167226373,0.09461311767527929,0.3922366527311356,0.3726612295250497,0.2406106504009321
EOS-3-35173,OC(c1cccc(F)c1)c1cncc2nnc(-c3cccnc3-c3cc(F)cc(Cl)c3)n12,VTHGMWLNBOYJEI-UHFFFAOYSA-N,3,1,0.389,57,358,449.848,4.867,5,0.424,0.71,1.0,0.4004780344047701,0.6262165033239668,0.9778544993489137,0.9840141182920978,0.7471407888424371
EOS-3-35174,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnn2)cs1,PYCYMXMELXZGCG-UHFFFAOYSA-N,3,1,0.489,65,778,434.46,3.169,5,0.401,0.62,1.0,0.6178466177780824,0.5840415324515112,0.25898670413268454,0.24854362278116648,0.42735461928586116
EOS-3-35175,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cn4)n23)c(-c2cc(Cl)cnn2)n1,YIFZRVYLFIKJPN-UHFFFAOYSA-N,3,1,0.259,86,652,468.872,2.847,6,0.409,0.59,0.981,0.22316839147419643,0.2687101637996025,0.11508806798711535,0.16325988623123844,0.1925566273730382
EOS-3-35176,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1F,SEEKQPLWWKKYEJ-UHFFFAOYSA-N,3,1,0.484,37,79,469.843,2.93,5,0.373,0.63,1.0,0.7287026249057639,0.7847046124323213,0.46802823658419573,0.5446765129189226,0.6315279967103009
EOS-3-35177,CCc1cc(COc2cncc3nnc(-c4cccc(-c5cnc(C)o5)c4)n23)ccc1F,OQPBOYGVROTIFB-UHFFFAOYSA-N,3,1,0.535,1,655,429.455,5.035,5,0.376,0.83,1.0,0.860016448495648,0.7091186347748613,0.8097028990473579,0.6919505174422589,0.7676971249400315
EOS-3-35178,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)cc1,QEHBJAQUSNORCC-UHFFFAOYSA-N,3,1,0.321,69,498,452.478,4.573,6,0.387,0.66,1.0,0.15948187238708794,0.29946542389143993,0.5234305393735864,0.6371136316907683,0.40487286683572066
EOS-3-35179,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)cn5)n34)nc2F)cn1,VZCHWUFSJCRPFC-UHFFFAOYSA-N,3,1,0.392,18,720,447.409,2.641,5,0.362,0.6,0.995,0.6830580494825578,0.5982283599479131,0.20583750257007744,0.19877835652114317,0.4214755671304229
EOS-3-35180,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)cnc1Cl,KGZFQKBBGMJQIN-UHFFFAOYSA-N,3,1,0.396,54,511,434.822,3.41,5,0.387,0.58,1.0,0.6951117126996094,0.5640805976286752,0.5957525186758961,0.6310739496950175,0.6215046946747995
EOS-3-35181,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cccnn6)c5)n34)cn2)n1,YFXATFHGJYVHQX-UHFFFAOYSA-N,3,1,0.421,6,843,465.437,2.371,6,0.354,0.68,1.0,0.47712631073949696,0.2994739908162566,0.07351278185182647,0.05891474196422452,0.22725695634295115
EOS-3-35182,Cc1ccnnc1-c1cnnc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)n1,HFZSTKXXGHYOQV-UHFFFAOYSA-N,3,1,0.282,98,63,447.466,2.809,6,0.401,0.53,1.0,0.09542697553286272,0.08190836817216092,0.11208107737646494,0.12065656911794942,0.1025182475498595
EOS-3-35183,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)cn1,YQWWKHAMYVASJM-UHFFFAOYSA-N,3,1,0.396,51,970,449.837,3.113,5,0.373,0.64,1.0,0.6493043657048866,0.6507436090740868,0.34720889589472964,0.35001028030978,0.49931678774587074
EOS-3-35184,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(-c3cnn(-c4cccc(Cl)n4)c3)n12,NTDCOVZKONSKRO-UHFFFAOYSA-N,3,1,0.345,42,664,459.832,3.882,6,0.365,0.69,1.0,0.1238006305256665,0.2788191350832705,0.55039065177164,0.6224127887053663,0.3938558015214858
EOS-3-35185,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nc(-c6cccnn6)ccc5F)n34)s2)nn1,DTIGBMYVIATIFF-UHFFFAOYSA-N,3,1,0.257,76,272,456.47,3.306,6,0.397,0.58,0.961,0.0712168460009595,0.19375813857857582,0.13833013501473512,0.19067404564457544,0.14849479130971147
EOS-3-35186,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)n1C,LFHKDARBXFLJDK-UHFFFAOYSA-N,3,1,0.483,16,921,449.877,4.267,5,0.398,0.63,1.0,0.5609451031457748,0.5407699952025221,0.6911452265094922,0.6599787540264547,0.613209769721061
EOS-3-35187,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)cn(C)c2=O)nn1,XZEDAGDGZUEEEE-UHFFFAOYSA-N,3,1,0.444,65,142,445.508,2.938,5,0.396,0.62,1.0,0.17881742169830717,0.03184325954355425,0.15631211020492083,0.13155369748475088,0.12463162223288328
EOS-3-35188,CCc1nc(-c2nnc3cncc(COc4cccc(F)n4)n23)ccc1-c1ncc(F)cn1,FCFKLHUJDQXPJR-UHFFFAOYSA-N,3,1,0.308,85,717,446.421,3.458,5,0.365,0.61,1.0,0.5835189500376945,0.5640891645534919,0.2554057295593174,0.2515934480159002,0.413651823041601
EOS-3-35189,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)cc1,XICMDCAPJKVWOM-UHFFFAOYSA-N,3,1,0.325,39,176,442.439,4.166,6,0.4,0.63,0.692,0.31177609485299157,0.40572099239257076,0.28131211020492086,0.38527174285518473,0.346020235076417
EOS-3-35190,CCn1c(C)nnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)n(C)n1,QMEYSCURJMWJAK-UHFFFAOYSA-N,3,1,0.36,31,105,450.894,2.739,5,0.388,0.61,0.997,0.22896819957508052,0.37240422178054966,0.014169693646768556,0.021460146665752862,0.15925056541703791
EOS-3-35191,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)cn1,VKNDTIYHOMUQKG-UHFFFAOYSA-N,3,1,0.288,86,790,419.412,2.49,6,0.457,0.59,1.0,0.13238468919196766,0.12708176273045027,0.17886025632239053,0.1851740799122747,0.15587519703927077
EOS-3-35192,Fc1cnc(CCOc2cncc3nnc(-c4nncnc4-c4ccnc(F)c4)n23)c(F)c1,HJJFONRYQYTZBA-UHFFFAOYSA-N,3,1,0.376,31,814,451.372,2.472,5,0.359,0.63,0.982,0.6006870673702968,0.5503306832979233,0.3849461997121513,0.4609776574600781,0.49923540196011235
EOS-3-35193,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cc(F)ncc5F)n4)n23)nc1,ZOAGXQOLVGHMKT-UHFFFAOYSA-N,3,1,0.394,46,267,449.396,3.948,5,0.375,0.67,0.991,0.680111027345624,0.6748338016585567,0.7686330614762524,0.7329346857651977,0.7141281440614077
EOS-3-35194,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1cncnc1,OHVYXJBEYPTSCS-UHFFFAOYSA-N,3,1,0.478,65,657,444.43,2.808,5,0.35,0.64,1.0,0.6891319991775752,0.6405918031663355,0.4503461037625934,0.327547803440477,0.5269044273867453
EOS-3-35195,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)ccn2)nc(C)n1,MFNKDSPWYAYZDY-UHFFFAOYSA-N,3,1,0.511,24,486,446.421,3.512,5,0.404,0.59,1.0,0.6770783359605236,0.5640977314783086,0.5302069769035707,0.44207902131450894,0.5533655164142279
EOS-3-35196,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)n1,YNEFGKBUPOXTFL-UHFFFAOYSA-N,3,1,0.575,24,912,421.873,3.937,5,0.397,0.71,1.0,0.4745390994448633,0.5314834487012542,0.41736344321842234,0.4485384826262765,0.4679811184977041
EOS-3-35197,Cc1noc(C)c1COc1cncc2nnc(-c3ccc(-c4cn(C)cn4)c(F)c3)n12,ZNCATYITJYBCIV-UHFFFAOYSA-N,3,1,0.512,16,256,419.42,3.515,5,0.43,0.67,1.0,0.5454561030772394,0.48590740867658144,0.33967000205606196,0.26954972243163594,0.4101458090603797
EOS-3-35198,Cc1nnc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(C)(F)F)nc5)n34)cc2)o1,ZXRVWGGJBXELQH-UHFFFAOYSA-N,3,1,0.36,85,476,434.41,3.642,5,0.413,0.57,1.0,0.37380063052566653,0.35318004249194707,0.44327839078884246,0.26068295524638474,0.3577355047632102
EOS-3-35199,Fc1cnc(-c2ncc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2F)cn1,XDOSKWRTUWPOPI-UHFFFAOYSA-N,3,1,0.388,85,674,452.375,3.845,5,0.374,0.61,0.735,0.4320300185045576,0.602768830100747,0.8432938112535124,0.8123243780412583,0.6726042594750188
EOS-3-35200,Cc1nc(-c2nccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)n(C)c1Cl,OQPOAEKHXLZGQF-UHFFFAOYSA-N,3,1,0.386,50,243,453.844,3.943,5,0.406,0.61,0.571,0.2638098828044685,0.3959204304023028,0.35854293742718113,0.39478102940168597,0.3532635700089096
EOS-3-35201,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5F)cn4)n23)cn1,HLYOPIUHVYQSET-UHFFFAOYSA-N,3,1,0.489,97,969,413.416,3.67,5,0.434,0.8,1.0,0.7581557124254678,0.8091117812350079,0.5503992186964567,0.5244414365019533,0.6605270372147214
EOS-3-35202,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cc4F)n23)c(F)c1,RPIOJVSYZLESCJ-UHFFFAOYSA-N,3,1,0.472,16,772,453.84,4.097,5,0.373,0.66,1.0,0.8249605921458433,0.7631759303680351,0.8917826057158522,0.8825474607634843,0.8406166472483038
EOS-3-35203,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncn4)n23)nc1,SCFKFPMKULJGOG-UHFFFAOYSA-N,3,1,0.402,46,775,419.355,2.29,5,0.423,0.58,1.0,0.55064765951614,0.5044976355287506,0.29587588239325613,0.31524569940374203,0.4165667192104722
EOS-3-35204,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)c1,IWHHDNRCVWZQKZ-UHFFFAOYSA-N,3,1,0.736,48,240,418.806,5.143,4,0.435,0.82,1.0,0.9861815502707149,0.9950654513055993,0.9887687615653485,0.989916729490782,0.9899831231581112
EOS-3-35205,Fc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)c1,HOVLVWSVKFNROS-UHFFFAOYSA-N,3,1,0.679,84,884,464.863,4.801,5,0.359,0.78,1.0,0.9490353642656432,0.9393033376739086,0.9362021108902748,0.9435011308340758,0.9420104859159757
EOS-3-35206,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5cncs5)n34)c2)c1,VVJYUDBOUFWVTL-UHFFFAOYSA-N,3,1,0.44,65,466,420.433,2.86,5,0.413,0.66,1.0,0.5638235898841751,0.4813840723733809,0.2589952710575012,0.30593345212802414,0.4025340963607703
EOS-3-35207,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4nccnc4-c4cccnc4)n23)cc1,AXRMEERTDNDZDH-UHFFFAOYSA-N,3,1,0.5,56,415,463.465,2.413,6,0.362,0.6,1.0,0.3691402234253992,0.24327496401891577,0.08715132615996161,0.08847919950654513,0.19701142827770543
EOS-3-35208,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cocn5)c4)n23)cc1,KTIAXZKTBTXQAU-UHFFFAOYSA-N,3,1,0.325,64,885,435.422,4.709,6,0.396,0.69,1.0,0.2717942567336029,0.2946079775203893,0.6232266465629498,0.7003118360633267,0.47248517922006716
EOS-3-35209,Cc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ncccc5F)c4)n23)c1F,ONMZVTLONJKKPP-UHFFFAOYSA-N,3,1,0.563,75,583,445.433,3.851,5,0.392,0.62,1.0,0.82496915907066,0.694580563360976,0.6288122815434172,0.5862175313549448,0.6836448838324994
EOS-3-35210,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cn(C)c(C)n5)cn4)n23)cn1,NRXGEBCYTCDOES-UHFFFAOYSA-N,3,1,0.25,86,953,461.493,3.118,6,0.389,0.58,0.862,0.12380919745048317,0.056130491398807485,0.08480398876019464,0.05741553012130766,0.08053980193269825
EOS-3-35211,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(C)c2)ncn1,HUPONFFEUBNTHD-UHFFFAOYSA-N,3,1,0.467,16,214,443.898,4.493,5,0.395,0.65,1.0,0.6830666164073744,0.6218388047426496,0.6638681378932219,0.6042851757932972,0.6432646837091358
EOS-3-35212,COc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3cccc(Cl)n3)n12,ILFZNCDMPKLUIL-UHFFFAOYSA-N,3,1,0.473,4,122,446.858,3.279,5,0.362,0.64,1.0,0.5696662326091426,0.5314920156260708,0.21288808169419504,0.18518264683709135,0.374807244191625
EOS-3-35213,Cn1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)cn1,RRJTWUKFXPJBPT-UHFFFAOYSA-N,3,1,0.279,86,812,422.416,1.829,6,0.45,0.61,1.0,0.0564988691659242,0.08191693509697759,0.10159516140086354,0.0884877664313618,0.08212468302378179
EOS-3-35214,Fc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,LUUGZROLBDUOCY-UHFFFAOYSA-N,3,1,0.54,11,439,446.873,4.662,5,0.353,0.72,1.0,0.8600250154204647,0.9009920498937701,0.7927318209855391,0.8304605578781441,0.8460523610444795
EOS-3-35215,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)cn1,KKQLLIYQUFUXEC-UHFFFAOYSA-N,3,1,0.461,16,388,418.848,3.214,5,0.404,0.66,1.0,0.4158556644506888,0.4726715098348297,0.39967274347200327,0.4009235144952368,0.42228085806318966
EOS-3-35216,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)c1,QXSVAUGZVNKEAM-UHFFFAOYSA-N,3,1,0.46,2,980,451.824,4.154,5,0.396,0.63,1.0,0.8222962785278597,0.8285329997943938,0.84990747721198,0.8740833390446165,0.8437050236447126
EOS-3-35217,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)nc2)n(C)n1,BHHMWOVWQIDIEA-UHFFFAOYSA-N,3,1,0.541,4,677,445.914,4.436,5,0.398,0.69,1.0,0.41361969707353846,0.612517990542115,0.6022633815365637,0.5348245493797547,0.5408064046329929
EOS-3-35218,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(F)c5)cn4)n23)cn1,JIXVCRYQCUHWQL-UHFFFAOYSA-N,3,1,0.483,7,85,414.404,3.065,5,0.432,0.7,1.0,0.6860479062435748,0.6846686313480913,0.4467736961140429,0.3852803097800014,0.5506926358714276
EOS-3-35219,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)ncn2)cn1,JJKRHCSUUBHDPE-UHFFFAOYSA-N,3,1,0.456,46,726,414.404,3.065,5,0.432,0.7,1.0,0.667706120211089,0.5225824138167363,0.4248937701322733,0.40093208142005343,0.5040285963950379
EOS-3-35220,C#Cc1nccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccncn5)n34)c2)n1,MJFPMHOVNNIWSK-UHFFFAOYSA-N,3,1,0.396,46,348,424.399,2.738,5,0.397,0.61,1.0,0.7375779590158317,0.6027773970255637,0.5634980467411418,0.48852032074566515,0.5980934308820505
EOS-3-35221,COc1cc(-c2ccnc(C)n2)ccc1-c1nnc2cncc(-c3ccc(-c4nncn4C)cn3)n12,SYTYEXRAUFRYLD-UHFFFAOYSA-N,3,1,0.323,98,314,476.504,3.423,6,0.368,0.67,1.0,0.16237749297512166,0.034944486327187996,0.22321122609827976,0.1453293125899527,0.14146562949763553
EOS-3-35222,Fc1cccc(-c2cnccc2COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,NPFDRVSCOIJHPI-UHFFFAOYSA-N,3,1,0.478,97,430,448.408,4.904,5,0.368,0.78,1.0,0.902182852443287,0.919796449866356,0.9498577890480433,0.9287317524501405,0.9251422109519567
EOS-3-35223,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)cn2)n1,OJXWDRBHLGGAFO-UHFFFAOYSA-N,3,1,0.315,38,762,450.531,4.686,6,0.387,0.71,1.0,0.11019635391679802,0.12341511890891646,0.29940545541772323,0.26069152217120145,0.1984271126036598
EOS-3-35224,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1O,GDZUGEIRLXWCEA-UHFFFAOYSA-N,3,1,0.523,43,178,435.394,3.15,5,0.452,0.58,0.996,0.6289493523404839,0.6218473716674663,0.7778168048797204,0.7329432526900144,0.6903891953944212
EOS-3-35225,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)nn5)n34)cn2)ccn1,BRKGKILVLPPMCC-UHFFFAOYSA-N,3,1,0.324,70,723,418.42,3.965,6,0.423,0.69,0.998,0.08823932561167844,0.08856486875471181,0.4432869577136591,0.4609862243848948,0.27026934411623604
EOS-3-35226,Cc1n[nH]c(-c2cc(F)nc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n1,MQFCWBQAEIVNGZ-UHFFFAOYSA-N,3,1,0.369,31,658,418.396,1.83,5,0.41,0.67,0.928,0.45075731615379344,0.39592899732711945,0.08481255568501131,0.07976663696799396,0.25281637653347955
EOS-3-35227,FC(F)c1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)s1,YRLFMOCDKNUWKZ-UHFFFAOYSA-N,3,1,0.549,58,981,452.45,3.659,5,0.369,0.65,1.0,0.695120279624426,0.7548574463710507,0.27372181481735314,0.2428466177780824,0.4916365396477281
EOS-3-35228,Cc1cnc(-c2ccc(-c3nnc4cncc(COc5ncc(Cl)cn5)n34)nc2C)cn1,RYJUJVGMNLLTKE-UHFFFAOYSA-N,3,1,0.327,7,674,445.874,3.283,5,0.401,0.59,1.0,0.457576588307861,0.3773816050990336,0.13833870193955178,0.11379446233979851,0.2717728394215612
EOS-3-35229,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccnnc5)n4)n23)cc1,BZINZRLVKSRAKP-UHFFFAOYSA-N,3,1,0.57,36,659,417.82,2.666,5,0.425,0.61,1.0,0.6979901994380098,0.910072990199438,0.27373038174216985,0.37266979644986636,0.563615841957371
EOS-3-35230,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#CCO)nc4)n23)cn1,LIYHGBCHASRKDC-UHFFFAOYSA-N,3,1,0.511,92,45,439.439,1.3,5,0.403,0.61,0.986,0.3919025426632856,0.22291138372969638,0.24126173668699882,0.15282537180453704,0.25222525872112944
EOS-3-35231,N=c1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)c[nH]1,CWWNRKAUWGFMPZ-UHFFFAOYSA-N,3,1,0.468,65,76,429.419,2.211,5,0.396,0.71,1.0,0.634594955794668,0.5045062024535673,0.42832054005894044,0.3531200740182304,0.4801354430813515
EOS-3-35232,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccoc5)cn4)n23)c1-c1ccc(F)cc1,VNRZKZYMMXHPHC-UHFFFAOYSA-N,3,1,0.325,42,693,437.438,4.653,6,0.399,0.69,1.0,0.11583339044616545,0.217479953395929,0.6749366047563566,0.7142673565896785,0.43062932629703243
EOS-3-35233,CCn1cnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)n1,HOHOBFJVALZVEN-UHFFFAOYSA-N,3,1,0.292,39,176,464.468,3.728,6,0.379,0.62,0.776,0.134903365088068,0.19835857720512645,0.14134569255020218,0.22496744568569665,0.1748937701322733
EOS-3-35234,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)[nH]2)c1,BYJIRZYASLDKLA-UHFFFAOYSA-N,3,1,0.321,64,365,451.881,4.354,6,0.424,0.64,0.899,0.13761051333013502,0.24836371736001644,0.3139949283805085,0.5111541361113014,0.3027808237954904
EOS-3-35235,Cc1c(-c2cc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)no2)nnn1C,GRSONJIFMSEWSV-UHFFFAOYSA-N,3,1,0.457,71,117,456.426,2.512,6,0.364,0.64,1.0,0.2584298540196011,0.18087348365430744,0.04155815228565554,0.03130354328010417,0.12804125830991708
EOS-3-35236,Fc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1cscn1,MAWOVPIBFLLXNU-UHFFFAOYSA-N,3,1,0.506,59,89,440.41,4.306,5,0.405,0.64,1.0,0.9100301555753547,0.8354893427455281,0.9103899664176547,0.90022102666027,0.889032622849702
EOS-3-35238,Cc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cn5)n34)nc2)s1,OPBHPWAAIGJJJS-UHFFFAOYSA-N,3,1,0.461,46,128,419.445,3.731,5,0.429,0.67,1.0,0.5018932903844836,0.4954423959975327,0.3140034953053252,0.2904016174354054,0.4004351997806867
EOS-3-35239,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ncn(C)n5)ncc4Cl)n23)c1F,QXMIGAINJLGJRW-UHFFFAOYSA-N,3,1,0.479,31,359,465.88,3.099,5,0.376,0.62,0.937,0.5835275169625112,0.6748423685833733,0.28490165170310466,0.29330580494825575,0.4591443355493112
EOS-3-35240,CCc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cnc1C(F)F,SXXYJPMWKPQZGT-UHFFFAOYSA-N,3,1,0.438,68,127,417.807,3.709,4,0.472,0.66,1.0,0.6523456240148037,0.7677592351449524,0.6526883010074703,0.5673959975327256,0.660047289424988
EOS-3-35241,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4-n4ccnc4)n23)cc1,ONGAQULVLSUKDA-UHFFFAOYSA-N,3,1,0.5,56,8,467.468,3.491,6,0.37,0.66,1.0,0.5667106435473922,0.4417363443218422,0.4540127475841272,0.3917997395654856,0.46356486875471176
EOS-3-35242,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)cc(C)n1,FXRFBXGYOVEVGZ-UHFFFAOYSA-N,3,1,0.387,44,971,447.861,4.845,5,0.389,0.71,1.0,0.614942430265232,0.617315468439449,0.7402679734082653,0.7195531492015627,0.6730197553286272
EOS-3-35243,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nccs1,IQJGDGJVHKGJDN-UHFFFAOYSA-N,3,1,0.452,49,501,449.471,3.474,5,0.372,0.61,1.0,0.6463487766431362,0.5271143170447536,0.25541429648413405,0.19593413748200947,0.40620288191350834
EOS-3-35244,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(F)ncc5F)cn4)n23)nn1,PUOAJSWFGPHJKT-UHFFFAOYSA-N,3,1,0.357,51,924,433.382,2.599,5,0.386,0.61,1.0,0.57489205674731,0.5546655472551573,0.3585515043519978,0.34355938592282914,0.45791712356932357
EOS-3-35245,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)nn1,DMXPYASRWYJNEG-UHFFFAOYSA-N,3,1,0.426,53,785,429.419,2.502,5,0.375,0.6,1.0,0.6006956342951134,0.5133986704132685,0.2662086217531355,0.24285518470289905,0.40578952779110405
EOS-3-35246,Cn1cnc(-c2cc(-c3nnc4cncc(COc5ccc(Cl)nn5)n34)ccn2)c1,GVGALZLCTAWGCG-UHFFFAOYSA-N,3,1,0.35,85,486,419.836,2.609,5,0.427,0.63,1.0,0.35070420121993007,0.3912942910013022,0.22688643684463025,0.21665752861352888,0.29638561441984784
EOS-3-35247,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ncn(C)n5)n34)ccc2F)nn1,YBIQLIFMBWCKHM-UHFFFAOYSA-N,3,1,0.471,36,404,418.396,1.798,5,0.42,0.62,1.0,0.4390034953053252,0.5,0.07119114522650949,0.07226201082859297,0.2706141628401069
EOS-3-35248,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)c1,CHZRQDKEFSJKAE-UHFFFAOYSA-N,3,1,0.662,57,732,445.885,5.267,5,0.356,0.84,1.0,0.9326639709409911,0.967351449523679,0.8954064149133028,0.9225721335069563,0.9294984922212323
EOS-3-35249,COc1nc(-c2nccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)n2)nn1C,YKLOTTOYUHFKPH-UHFFFAOYSA-N,3,1,0.5,36,29,451.397,2.243,5,0.383,0.6,0.999,0.4390120622301419,0.49054211500239875,0.10160372832568021,0.10670961551641422,0.28446688026865874
EOS-3-35250,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cn(C)cn1,QSMRSCKWPQXWPR-UHFFFAOYSA-N,3,1,0.452,31,690,446.902,3.777,5,0.391,0.63,0.876,0.4136282639983552,0.5088582002604345,0.25900383798231785,0.2516020149407169,0.35827307929545604
EOS-3-35251,CCOc1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cn4)n23)nc1,SKHGXFZSKSKYLN-UHFFFAOYSA-N,3,1,0.345,96,856,413.416,3.848,5,0.432,0.77,1.0,0.45540915632924406,0.5546741141799739,0.48527345624014806,0.5010537317524502,0.4991026146254541
EOS-3-35252,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)cc5C)ccc4F)n23)nc1,PLODVDPQJMBVPY-UHFFFAOYSA-N,3,1,0.438,44,348,440.482,4.892,5,0.387,0.73,1.0,0.740482146528682,0.5840500993763279,0.7067284627510109,0.607566307998081,0.6597067541635254
EOS-3-35253,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4cc(F)ccc4F)n23)cc1F,RLSQAQBEKDXGFB-UHFFFAOYSA-N,3,1,0.518,13,145,422.37,4.401,5,0.429,0.67,1.0,0.7728651223356864,0.8492306901514632,0.9179802618052224,0.9106384072373381,0.8626786203824276
EOS-3-35254,Cc1ncc(-c2cc(CF)nc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)o1,KRJGSJGTSXYYPG-UHFFFAOYSA-N,3,1,0.422,18,840,449.421,3.775,5,0.37,0.64,1.0,0.6007042012199301,0.4417449112466589,0.4852820231649647,0.42001062298677266,0.4869354396545816
EOS-3-35255,COc1ncc(COc2cncc3nnc(-c4ccnc(-c5ccn(C)n5)c4)n23)cc1F,SAYAMPXKAXUTBV-UHFFFAOYSA-N,3,1,0.477,55,99,432.419,2.709,5,0.403,0.57,1.0,0.44824720718250977,0.3959375642519361,0.377707148242067,0.23112706462888083,0.36325474607634844
EOS-3-35256,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c(F)n1,GARWFXZFHDCZOV-UHFFFAOYSA-N,3,1,0.6,34,32,453.84,4.097,5,0.373,0.67,1.0,0.8792234939346172,0.9140480433143718,0.8302720855321774,0.8284044959221438,0.8629870296758275
EOS-3-35257,COc1ncc(-c2csnn2)cc1COc1cncc2nnc(-c3ccc(Cl)c(C)c3)n12,GMNRTNBLBODRTA-UHFFFAOYSA-N,3,1,0.5,16,214,465.926,4.254,5,0.367,0.73,1.0,0.46949318072784596,0.5734099787540264,0.49533959289973273,0.4295456103077239,0.49194709067233233
EOS-3-35258,Fc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)ncn2)ccn1,CJJYGPUMQNELJP-UHFFFAOYSA-N,3,1,0.312,38,479,436.41,4.104,6,0.38,0.66,1.0,0.2690528407922692,0.27882770200808715,0.652696867932287,0.6428534713179357,0.4608577205126448
EOS-3-35259,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cnnc(-c5cccnn5)c4)n23)c1,NQZQWNCLHCDNAT-UHFFFAOYSA-N,3,1,0.517,19,778,448.849,3.452,5,0.389,0.57,1.0,0.8065502707148242,0.8863683092317182,0.6022719484613803,0.6744482900418066,0.7424097046124323
EOS-3-35260,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cnn2)nc1,LKJOLWGKUBFZBL-UHFFFAOYSA-N,3,1,0.469,87,778,448.849,3.452,5,0.389,0.57,0.98,0.7467274347200329,0.780352614625454,0.4989034336234665,0.5801864162840107,0.651542474813241
EOS-3-35261,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(F)c5)cs4)n23)c(F)c1,DBGOXALUSWJHFR-UHFFFAOYSA-N,3,1,0.511,57,92,435.459,5.08,5,0.385,0.87,1.0,0.7287111918305805,0.8389246795970119,0.784687478582688,0.8013415804262902,0.7884162326091426
EOS-3-35262,Fc1cncc(F)c1COc1cncc2nnc(-c3cc(-c4ccccn4)ncn3)n12,FOBIYCSVYXVIRV-UHFFFAOYSA-N,3,1,0.455,46,726,418.367,2.896,5,0.429,0.64,1.0,0.6523541909396203,0.4905506819272154,0.5538602563223906,0.5510417380577068,0.5619517168117334
EOS-3-35263,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncc(Cl)n6)nn5)n34)nc2)n1C,NPZGJLQZSCKAJA-UHFFFAOYSA-N,3,1,0.327,86,312,470.888,2.586,6,0.381,0.66,0.379,0.010742923720101433,0.10091837434034678,0.08715989308477828,0.11132718799259818,0.07753709478445617
EOS-3-35264,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ccc(Cl)nc5)cn4)n23)cc1,LERNEJWUJYSPLT-UHFFFAOYSA-N,3,1,0.42,14,886,426.911,4.995,5,0.37,0.82,1.0,0.3807227057775341,0.49055924885203206,0.6911537934343088,0.7221232266465629,0.5711397436776096
EOS-3-35265,CCc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)nc(CF)n2)nc1,JAZREWGHELKNLX-UHFFFAOYSA-N,3,1,0.418,46,330,460.448,3.788,5,0.361,0.66,0.813,0.48432252758549793,0.4682681104790624,0.30654170379000756,0.2813720786786375,0.38512610513330137
EOS-3-35266,Cn1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)cc1=O,FQHAIABVKAFKII-UHFFFAOYSA-N,3,1,0.429,31,466,445.418,1.498,5,0.382,0.57,0.994,0.34374785826879584,0.16799739565485575,0.22321979302309644,0.21925330683297922,0.23855458844493183
EOS-3-35267,OCc1cnc(-c2cncc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)c2)cn1,WZYBXUMIJFKPPK-UHFFFAOYSA-N,3,1,0.435,13,995,466.288,4.235,5,0.41,0.66,1.0,0.5953070385854293,0.684677198272908,0.7708518950037695,0.8076639709409911,0.7146250257007744
EOS-3-35268,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(C)n4)n23)cc1C(F)(F)F,XVRMUYANTZOGRT-UHFFFAOYSA-N,3,1,0.372,66,225,417.822,5.066,4,0.467,0.76,1.0,0.5222483037488863,0.6218559385922829,0.9871496127749982,0.9730056199026798,0.7760648687547118
EOS-3-35269,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ccn2)c1,XLDPWHKYIUOVHT-UHFFFAOYSA-N,3,1,0.536,75,265,449.396,3.682,5,0.391,0.6,0.999,0.884980467411418,0.8208399013090261,0.8190494140223425,0.8144746761702419,0.8348361147282573
EOS-3-35270,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nc2)s1,RTHWJAXUSQFYER-UHFFFAOYSA-N,3,1,0.298,70,812,451.519,4.081,6,0.398,0.62,0.997,0.08582345281337811,0.09462168460009594,0.15336508806798713,0.13156226440956753,0.11634312247275719
EOS-3-35271,N#Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nc1,WCLDQRFGUJHCJE-UHFFFAOYSA-N,3,1,0.495,87,76,454.881,3.79,5,0.356,0.66,1.0,0.8397385374545953,0.8523233500102803,0.7091272016996779,0.7087159893084778,0.7774762696182578
EOS-3-35272,Cc1nccn1Cc1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,GMUBHIKOSLQKTK-UHFFFAOYSA-N,3,1,0.361,82,478,417.423,4.344,5,0.425,0.72,1.0,0.27684017545062023,0.2840106915221712,0.8190579809471592,0.727383318483997,0.5268230416009869
EOS-3-35273,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccnn5C)ccc4F)n23)c1Cl,DWGWRVGYNMEVGV-UHFFFAOYSA-N,3,1,0.462,16,606,449.877,4.267,5,0.398,0.66,1.0,0.5582379549037078,0.5982369268727298,0.7708604619285861,0.7381947776026317,0.6663825303269139
EOS-3-35274,CCn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)n1,ZQTNQVITDFFOJO-UHFFFAOYSA-N,3,1,0.485,65,981,447.89,3.135,5,0.35,0.65,1.0,0.41142656432047153,0.5088667671852511,0.13501473511068468,0.15542971694880406,0.3026844458913029
EOS-3-35275,COc1ccc(-c2cnnn2C)cc1-c1nnc2cncc(OCCc3nccs3)n12,MFIWQMJWKRUNJL-UHFFFAOYSA-N,3,1,0.605,15,638,434.485,2.673,5,0.385,0.6,1.0,0.2742272633815366,0.20761942293194435,0.0919488040572956,0.05449420875882393,0.1570724247824001
EOS-3-35276,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cnc2F)c1,QLJPDVDQYLTZRD-UHFFFAOYSA-N,3,1,0.459,87,173,465.851,4.196,5,0.347,0.74,1.0,0.892150983482969,0.8917654718662189,0.7886196970735385,0.8185610993077925,0.8477743129326297
EOS-3-35277,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5c(C)nc(C)n5C)ccc4F)n23)cc1,CZJALNRRRDFIDR-UHFFFAOYSA-N,3,1,0.542,43,230,442.498,4.835,5,0.39,0.75,1.0,0.7467360016448495,0.5937221574943459,0.6288208484682338,0.5179562744157358,0.6218088205057912
EOS-3-35278,CCOc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4ccns4)n23)ccn1,LCLNEFJTRHBQKA-UHFFFAOYSA-N,3,1,0.478,75,441,446.496,3.386,5,0.371,0.64,1.0,0.34150332396682886,0.1983671441299431,0.09640360496196286,0.04937118771845658,0.17141131519429786
EOS-3-35279,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)cnn4)n23)cc1F,NIMMMEFNIPGFJX-UHFFFAOYSA-N,3,1,0.43,36,926,474.46,1.845,5,0.374,0.63,1.0,0.38073127270235074,0.3289613460352272,0.1094595983825646,0.07227057775340964,0.22285569871838803
EOS-3-35280,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)cn2)nc1,RGCJDCNQBBWSAD-UHFFFAOYSA-N,3,1,0.511,65,263,450.384,3.077,5,0.364,0.63,1.0,0.9004694674799534,0.9349941744911247,0.620279624426016,0.5954269755328627,0.7627925604824891
EOS-3-35281,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)ccc1Cl,STEVPZNQXBEZPC-UHFFFAOYSA-N,3,1,0.524,16,610,454.281,3.263,5,0.373,0.6,0.988,0.6066239462682476,0.7184565828250291,0.4031851826468371,0.46413885271742855,0.5481011411143856
EOS-3-35282,Cn1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccc2F)cc1=O,YFJBDFWSJFUOFR-UHFFFAOYSA-N,3,1,0.477,13,145,466.835,4.276,5,0.393,0.67,1.0,0.6007127681447467,0.7416129806044822,0.9033222534439038,0.9161726406689055,0.7904551607155096
EOS-3-35283,Cn1cncc1-c1cc(-c2nnc3cncc(Oc4cc(F)c(F)c(F)c4)n23)ncn1,VRXLGFCUQCPLJA-UHFFFAOYSA-N,3,1,0.411,46,971,424.346,3.191,5,0.409,0.62,0.96,0.6232180796381331,0.5000085669248167,0.7886282639983552,0.7562795558906175,0.6670336166129807
EOS-3-35284,Cn1cc(-c2c[nH]c(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)c2)nn1,OWFBUEYGDHXJIC-UHFFFAOYSA-N,3,1,0.252,30,301,419.452,3.644,6,0.468,0.63,0.858,0.028904804331437186,0.024150161058186553,0.384954766636968,0.4263073127270235,0.21607926118840382
EOS-3-35285,Cc1cc(CCOc2cncc3nnc(-c4ccnc(-c5csc(C)n5)c4)n23)ccn1,NKUOGZNWNWQIJT-UHFFFAOYSA-N,3,1,0.57,75,583,429.509,3.943,5,0.404,0.69,0.998,0.5696747995339593,0.3724127887053663,0.23756939209101502,0.1609296826811048,0.33514666575286134
EOS-3-35286,Cc1cnsc1COc1cncc2nnc(-c3ccc(-c4cnccn4)c(Cl)c3)n12,RMBHDGYYUUHHDP-UHFFFAOYSA-N,3,1,0.544,16,540,435.9,4.246,5,0.407,0.67,1.0,0.6092111575628812,0.67485093550819,0.40689466109245426,0.4516739771091769,0.5356576828181756
EOS-3-35287,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)s1,QADVLZOUSVLICW-UHFFFAOYSA-N,3,1,0.593,43,96,452.902,4.99,5,0.374,0.79,1.0,0.917140703173189,0.9446662326091426,0.722303132067713,0.7511222671509835,0.8338080837502571
EOS-3-35288,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)n4)n23)n(C)n1,NZQQAJPNCGRHBY-UHFFFAOYSA-N,3,1,0.368,31,662,419.424,2.347,5,0.403,0.68,1.0,0.33189980124734425,0.3582173942841478,0.11208964430128161,0.07418956891234323,0.2190991021862792
EOS-3-35289,O=C(Cc1ccc(Cl)cn1)Nc1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,QLAIDWZSBOGUHQ-UHFFFAOYSA-N,3,1,0.373,96,46,476.327,4.736,5,0.394,0.75,1.0,0.17581899801247344,0.38209341374820094,0.6141971078061819,0.6775152491261737,0.4624061921732575
EOS-3-35290,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccnc(Cl)c1,RYJFRRFXIHPCLR-UHFFFAOYSA-N,3,1,0.605,35,595,446.873,4.662,5,0.353,0.73,1.0,0.9678226303885957,0.9673600164484957,0.8678466177780824,0.8782211637310671,0.9203126070865602
EOS-3-35291,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cncnc3)n12,MKZOOUGCFYYNTP-UHFFFAOYSA-N,3,1,0.565,35,0,413.416,3.404,5,0.421,0.75,1.0,0.913139949283805,0.8889555205263519,0.5737269549722431,0.5705914604893427,0.7366034713179357
EOS-3-35292,N#Cc1ccc(-c2nnc3cncc(OCc4nncc(-c5cccc(Cl)n5)n4)n23)cn1,CSYISIHVTSJTBY-UHFFFAOYSA-N,3,1,0.427,55,617,442.83,2.537,5,0.372,0.58,1.0,0.6203995613734494,0.8013330135014735,0.2590124049071345,0.32127681447467615,0.5005054485641833
EOS-3-35293,Cc1ncc(COc2cncc3nnc(-c4cc(-c5ncc(C)s5)ccn4)n23)cn1,XBWBYYYCAQUBPO-UHFFFAOYSA-N,3,1,0.393,7,181,416.47,3.296,5,0.43,0.71,1.0,0.3668528544993489,0.160098690973888,0.11509663491193202,0.0667449112466589,0.17719827290795698
EOS-3-35294,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nc2)ccn1,FVXYWNJEXDSRFO-UHFFFAOYSA-N,3,1,0.4,46,564,451.824,4.154,5,0.371,0.66,1.0,0.816899115893359,0.793091631827839,0.8847577273661846,0.8907117401137687,0.8463650538002878
EOS-3-35295,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(F)c1,LEDSTWCRWRCGPF-UHFFFAOYSA-N,3,1,0.528,37,563,449.877,4.001,5,0.389,0.61,1.0,0.7496401891576999,0.7761548214652868,0.6774981152765404,0.6834349941744912,0.7216820300185046
EOS-3-35296,O=C(c1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4ccncc4F)n23)c(F)c1,KZIHIOYCRBLKGF-UHFFFAOYSA-N,3,1,0.359,45,46,447.832,5.016,5,0.362,0.79,1.0,0.40048660132958674,0.522590980741553,0.9473733808512097,0.9639075457473785,0.7085896271674319
EOS-3-35297,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnnnc5)c4)n23)cc1,HZCNRPZCDHANOA-UHFFFAOYSA-N,3,1,0.518,40,190,461.489,3.623,6,0.37,0.63,1.0,0.545464670002056,0.28926221643478855,0.5334538414090878,0.4579878006990611,0.4565421321362484
EOS-3-35298,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(OC(F)F)n5)n34)n[nH]2)cc1,RHKGQDFMHZRWDL-UHFFFAOYSA-N,3,1,0.434,1,92,453.384,3.896,5,0.399,0.67,0.942,0.5479919128229731,0.5178791720923858,0.857566307998081,0.82435234048386,0.686947433349325
EOS-3-35299,Cc1cc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)nn1C,QWLFMIYGGTVSEO-UHFFFAOYSA-N,3,1,0.372,85,516,446.465,4.013,5,0.392,0.65,1.0,0.20404701528339386,0.2840192584469879,0.5130988280446851,0.39787368926050304,0.3497596977588925
EOS-3-35300,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)cs1,RZRAWSNEXIFORI-UHFFFAOYSA-N,3,1,0.404,2,422,454.878,3.78,5,0.369,0.75,1.0,0.6007213350695634,0.5890017819203619,0.3215081214447262,0.3435679528476458,0.4636997978205743
EOS-3-35301,Cn1nncc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,GHEDAENFCCNZES-UHFFFAOYSA-N,3,1,0.418,6,584,451.454,2.346,6,0.404,0.57,1.0,0.33680008224247826,0.2580871770269344,0.1820557192790076,0.15019532588582002,0.23178457610856007
EOS-3-35302,COc1cc(Cl)cnc1-c1ccnc(-c2nnc3cncc(OCc4cncc(C)n4)n23)c1,DMFYVIZCZIDQSR-UHFFFAOYSA-N,3,1,0.378,7,181,460.885,3.588,5,0.375,0.62,1.0,0.5094407511479679,0.4552892193818107,0.3140120622301419,0.2576930984853677,0.3841087828113221
EOS-3-35303,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ncc1-c1cnc(C)cn1,NEGIOQYQBPXBLA-UHFFFAOYSA-N,3,1,0.343,51,48,460.889,2.932,5,0.372,0.6,0.997,0.48191522171201423,0.4241827153724899,0.03194606264135426,0.034533273935987936,0.24314431841546158
EOS-3-35304,Clc1cnc(COc2cncc3nnc(-c4cc(-c5cncnc5)cnn4)n23)nc1,TYAQHEDKKAUEGO-UHFFFAOYSA-N,3,1,0.359,51,435,418.808,2.061,5,0.418,0.61,1.0,0.4367075594544582,0.47268007675964635,0.15632067712973752,0.2017510794325269,0.3168648481940922
EOS-3-35305,CC(C)n1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cn1,HZTKJLYHMSOCPS-UHFFFAOYSA-N,3,1,0.279,38,522,449.478,4.348,6,0.382,0.66,1.0,0.11310910835446508,0.07493489137139332,0.23757795901583167,0.18793262970324173,0.15338864711123296
EOS-3-35306,Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)o1,CXRFTCQZMNJFDA-UHFFFAOYSA-N,3,1,0.536,97,91,420.379,4.007,5,0.397,0.74,1.0,0.8974710437941197,0.8169933520663423,0.7801041738057707,0.730090466726064,0.8061647590980742
EOS-3-35307,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cn4)n23)s1,HGJYWOAUXSDASS-UHFFFAOYSA-N,3,1,0.483,18,367,425.861,3.573,5,0.406,0.65,1.0,0.5376345007196217,0.5454561030772394,0.14135425947501884,0.19346686313480913,0.35447793160167224
EOS-3-35308,Cc1c(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nc2)cnn1C,BTXQTKQSDUUEEJ-UHFFFAOYSA-N,3,1,0.588,4,32,415.432,3.613,5,0.436,0.74,1.0,0.5506562264409568,0.607797614968131,0.5737355218970598,0.4914930436570489,0.5559206017407992
EOS-3-35309,Cc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc(-c2ccccn2)n1,SYXCLAURRTZTQZ-UHFFFAOYSA-N,3,1,0.522,24,583,443.898,4.227,5,0.388,0.63,0.996,0.7318209855390309,0.704535329997944,0.4283291069837571,0.45168254403399355,0.5790919916386814
EOS-3-35310,Cc1c[nH]c(-c2cc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)nc(C)n2)n1,JWGUEEOZTJXLAK-UHFFFAOYSA-N,3,1,0.429,31,851,447.89,3.258,5,0.421,0.61,0.973,0.5019018573093003,0.43316085258035775,0.16583853060105544,0.17403707765060653,0.31873457953533
EOS-3-35311,Fc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)nc1,ORGYYSBIMDABND-UHFFFAOYSA-N,3,1,0.506,73,391,469.267,4.063,5,0.38,0.65,1.0,0.8904547323692688,0.9581677061202111,0.6499468850661366,0.7787934343088205,0.8193406894661093
EOS-3-35312,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)cc1F,ZTEHAMNGZIMFAK-UHFFFAOYSA-N,3,1,0.524,16,55,440.891,4.625,5,0.398,0.7,1.0,0.8092745528065246,0.7091272016996779,0.8336902885340278,0.8223990816256597,0.7936227811664724
EOS-3-35313,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccc1F,NUWHWTHIQHBOLV-UHFFFAOYSA-N,3,1,0.517,16,79,438.373,2.978,5,0.389,0.59,1.0,0.652362757864437,0.6701648276334727,0.7972808580631896,0.7761633883901035,0.7239929579878007
EOS-3-35314,Cc1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)nn5)n34)cc2F)ccn1,YOIBDWYDHZJXIA-UHFFFAOYSA-N,3,1,0.288,70,813,464.468,3.553,6,0.389,0.58,0.65,0.07319580563360976,0.14478102940168597,0.44329552463847577,0.4104156671921047,0.26792200671646904
EOS-3-35315,Cn1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccc(C(F)F)nn1,HLFCTYTXEJVRHJ-UHFFFAOYSA-N,3,1,0.529,36,32,468.855,4.152,5,0.369,0.71,1.0,0.6433332191076692,0.842479953395929,0.6828524432869577,0.6775238160509903,0.7115473579603865
EOS-3-35316,Fc1cc(-c2ccccn2)ccc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,XHBQZJFEPLIRNH-UHFFFAOYSA-N,3,1,0.383,96,46,418.382,4.992,5,0.411,0.81,0.998,0.3577547803440477,0.5840586663011446,0.9510057569734768,0.9418648481940922,0.7086710129531902
EOS-3-35317,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)n2)o1,OQQPCRDPVVKJOC-UHFFFAOYSA-N,3,1,0.438,7,535,421.808,2.567,5,0.39,0.65,1.0,0.522256870673703,0.5890103488451786,0.14136282639983552,0.13157083133438421,0.3460502193132753
EOS-3-35318,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)n1,BZQUKQMSONPHTQ-UHFFFAOYSA-N,3,1,0.306,32,171,446.449,4.511,6,0.368,0.69,0.996,0.28514152559797135,0.37739017202385033,0.7275460900555136,0.7356075663079981,0.5314213384963333
EOS-3-35319,Cn1ncnc1-c1nccnc1-c1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,YYAHEVVHLTYQQV-UHFFFAOYSA-N,3,1,0.289,86,114,439.468,2.562,6,0.407,0.56,1.0,0.0691950517442259,0.07494345829620999,0.028536426564320472,0.036520800493454866,0.0522989342745528
EOS-3-35320,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(Cl)nn6)nn5)n34)cc2)n(C)n1,JXTAMTUYUOJWKC-UHFFFAOYSA-N,3,1,0.347,98,882,470.888,2.586,6,0.381,0.63,1.0,0.0069991775752176,0.13741347405935164,0.057132821602357615,0.08849633335617847,0.07251045164827633
EOS-3-35321,Cc1cncc(-c2cc(-c3nnc4cncc(Cc5ccc(Cl)cc5)n34)nc(CF)n2)n1,RLIZVNBMUZLVSP-UHFFFAOYSA-N,3,1,0.333,85,60,446.877,4.06,5,0.401,0.59,0.999,0.3117846617778082,0.2892707833596052,0.3030378315399904,0.40713453498732094,0.3278069529161812
EOS-3-35322,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)ncn4)n23)c1,DJXZGDCUDBJCNI-UHFFFAOYSA-N,3,1,0.308,10,543,466.415,3.441,6,0.36,0.63,0.875,0.19034850250154203,0.28402782537180454,0.4818209855390309,0.5801949832088273,0.38409807415530123
EOS-3-35323,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ncn4)n23)nc1,PDPNPZGTNHZKOH-UHFFFAOYSA-N,3,1,0.385,46,128,419.355,2.29,5,0.423,0.59,1.0,0.5480004797477898,0.5178877390172024,0.37378349667603317,0.372678363374683,0.4530875197039271
EOS-3-35324,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)cn1,OZHQZOPEYHPPDU-UHFFFAOYSA-N,3,1,0.488,65,349,437.916,3.923,5,0.4,0.67,1.0,0.4554177232540607,0.4771520115139469,0.5059368788979508,0.5010622986772668,0.4848922280858063
EOS-3-35325,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5F)nn4)n23)cn1,CYEJAJIUUGGUAY-UHFFFAOYSA-N,3,1,0.314,76,887,468.431,3.384,6,0.362,0.65,0.994,0.21490987595092864,0.2634672058118018,0.48182955246384757,0.47345109999314644,0.35841443355493113
EOS-3-35326,Cn1nccc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)n1,GJGSDPBCVDQXMN-UHFFFAOYSA-N,3,1,0.432,56,8,452.438,2.611,6,0.371,0.62,1.0,0.4843310945103146,0.2634757727366185,0.12087074223836612,0.08666301144541155,0.2388351552326777
EOS-3-35327,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)cn2)cs1,AGZBCRKYIIXWPG-UHFFFAOYSA-N,3,1,0.456,55,786,437.435,3.87,5,0.386,0.68,1.0,0.7613426084572682,0.7138133095743951,0.5957610856007127,0.5314577479268042,0.650593687889795
EOS-3-35328,Cc1nc(-c2cnc(C)c(F)n2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)n1,QDYNEOCPFSTSJP-UHFFFAOYSA-N,3,1,0.406,7,330,463.864,3.422,5,0.386,0.59,1.0,0.6860564731683915,0.5546826811047906,0.26979816325131933,0.28138064560345416,0.4479794907819889
EOS-3-35329,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccco6)n5)n34)cc2)cc1,PXNPUAQOFGHEFQ-UHFFFAOYSA-N,3,1,0.373,93,757,417.432,4.57,6,0.415,0.78,1.0,0.16511890891645534,0.1165101775066822,0.4135168939757385,0.4855818655335481,0.29518196148310605
EOS-3-35330,c1csc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccncc6)ncn5)n34)cc2)c1,PWRKIKOSILMLIA-UHFFFAOYSA-N,3,1,0.324,38,479,433.5,5.039,6,0.387,0.77,1.0,0.10547597834281407,0.1411572202042355,0.6054160098690974,0.6196456719895826,0.36792372010143237
EOS-3-35331,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(Cl)c5)c4)n23)cc1,RCKSUCLGNOFCLG-UHFFFAOYSA-N,3,1,0.575,1,326,427.895,5.394,5,0.376,0.84,1.0,0.9399030224110754,0.8643855801521486,0.8917911726406689,0.8964001781920362,0.8981199883489822
EOS-3-35332,Fc1ccc(NCc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)cc1,GQQMCEZZSAGSCQ-UHFFFAOYSA-N,3,1,0.354,57,962,414.419,4.744,5,0.421,0.87,1.0,0.17043040230278939,0.18088205057912413,0.8940528407922692,0.8907203070385854,0.534021400178192
EOS-3-35333,Cc1cc(-c2cnnc(-c3cncc4nnc(-c5cc(-c6nncn6C)ccc5F)n34)n2)n(C)n1,BHVGISGRSABXSE-UHFFFAOYSA-N,3,1,0.307,99,765,468.46,2.287,6,0.382,0.58,0.999,0.1985556164759098,0.29461654444520596,0.07986087314097731,0.09630080186416284,0.167333458981564
EOS-3-35334,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)n5)[nH]4)n23)cc1,LIVUIVNEBWWKAE-UHFFFAOYSA-N,3,1,0.329,98,882,439.418,2.573,6,0.415,0.58,0.778,0.19035706942635872,0.24328353094373245,0.16584709752587212,0.21079775203892812,0.20257136248372287
EOS-3-35335,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1F,LUIABDGAIZHZNV-UHFFFAOYSA-N,3,1,0.675,91,883,435.459,4.815,5,0.383,0.74,1.0,0.9471934754300596,0.9446747995339593,0.8859656637653348,0.8740919059694332,0.9129814611746967
EOS-3-35336,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ncn2)nc1,WLXWAUVCXSWUHF-UHFFFAOYSA-N,3,1,0.415,18,481,462.876,3.761,5,0.375,0.62,0.832,0.7041069837571106,0.6361541361113014,0.540255979713522,0.5477263381536563,0.6070608594338975
EOS-3-35337,Cc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,CCZJOPLULLHNNW-UHFFFAOYSA-N,3,1,0.409,51,379,450.865,3.662,5,0.377,0.64,1.0,0.5638321568089918,0.5734185456788431,0.5131073949695018,0.48245493797546435,0.5332032588582003
EOS-3-35338,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccccc6)cn5)n34)c(F)c2)nn1,YIVHTEWEKFHMLG-UHFFFAOYSA-N,3,1,0.402,41,285,464.464,4.58,6,0.368,0.74,1.0,0.43412891508464124,0.4859159756013981,0.6471197998766363,0.6310825166198342,0.5495618017956274
EOS-3-35339,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)c1F,NLCSODRBFHFCDJ-UHFFFAOYSA-N,3,1,0.478,18,181,431.406,3.543,5,0.406,0.56,1.0,0.6951288465492427,0.5407785621273388,0.6719467479953396,0.6657185936536221,0.6433931875813859
EOS-3-35340,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)c4)n23)cc1,ZQOQRTYJTPMWCL-UHFFFAOYSA-N,3,1,0.561,16,82,413.416,3.67,5,0.434,0.74,1.0,0.9336748680693578,0.7548660132958673,0.5894215612363786,0.5279367418271538,0.7014747961071894
EOS-3-35341,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)cn5)cn4)n23)cc1,FHSHMDUXGZRTGD-UHFFFAOYSA-N,3,1,0.529,89,731,413.416,3.67,5,0.434,0.74,1.0,0.7195103145774793,0.7369782742786649,0.617315468439449,0.537754437667055,0.6528896237406621
EOS-3-35342,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(CF)c5)n34)ccn2)o1,QCMFEGCARDNJHA-UHFFFAOYSA-N,3,1,0.511,72,483,451.849,4.247,5,0.377,0.67,0.987,0.7871718867795217,0.8170019189911589,0.5538688232472072,0.5446850798437393,0.6756819272154069
EOS-3-35343,Fc1cncc(-c2cnc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)cn5)n34)cn2)c1,UJZUMZARMLHWHP-UHFFFAOYSA-N,3,1,0.306,85,674,453.363,3.182,5,0.382,0.57,1.0,0.38073983962716745,0.4285261462545405,0.8319683366458775,0.7433177986429991,0.5961380302926461
EOS-3-35344,CCn1cnnc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)c1,PXJADMKPLJFQEE-UHFFFAOYSA-N,3,1,0.494,37,908,465.88,3.274,5,0.36,0.63,1.0,0.555599342060174,0.5045147693783839,0.18206428620382428,0.25467754094990064,0.3742139846480707
EOS-3-35345,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnccn6)n5)n34)cn2)[nH]1,QWUCKMMKLYNUGJ-UHFFFAOYSA-N,3,1,0.307,86,790,432.451,3.404,6,0.449,0.53,0.98,0.06526283325337537,0.06406346377904187,0.2521502981289836,0.2282828455897471,0.152439860187787
EOS-3-35346,Fc1cccnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,ZIDAIFZMWYSIDB-UHFFFAOYSA-N,3,1,0.562,11,275,446.873,4.662,5,0.377,0.68,1.0,0.9171492700980056,0.8942927146871359,0.7501627715715167,0.7925090809403057,0.838528459324241
EOS-3-35347,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cccc(-c4cccnc4)c3)n12,DUECMNITOJSFIU-UHFFFAOYSA-N,3,1,0.552,35,265,446.873,4.662,5,0.377,0.68,1.0,0.8886642450825851,0.8966314851620862,0.8530858063189637,0.8712305530806662,0.8774030224110754
EOS-3-35348,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)s4)n23)cc1,BYDOMLGHLLWDHO-UHFFFAOYSA-N,3,1,0.385,3,641,471.937,4.426,6,0.375,0.73,1.0,0.07693098485367693,0.26348433966143514,0.2412703036118155,0.3631005414296484,0.236196542389144
EOS-3-35349,Cn1cc(-n2cnc(COc3cncc4nnc(-c5ccc(C(=O)NCC(F)F)cc5)n34)n2)cn1,QIPUWCQRNHXUAU-UHFFFAOYSA-N,3,1,0.426,36,926,480.439,1.679,5,0.355,0.72,1.0,0.21491844287574532,0.14116578712905214,0.2447313412377493,0.1337296963881845,0.18363631690768284
EOS-3-35350,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4Cl)n23)ccn1,WKIXKKSMAIMIAS-UHFFFAOYSA-N,3,1,0.523,58,262,448.849,3.452,5,0.364,0.64,1.0,0.9171578370228223,0.9161555068192722,0.4321670893016243,0.46733431567404565,0.683203687204441
EOS-3-35351,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccc(F)nc5F)c4)n23)cn1,JXLFDTCNWLEGKN-UHFFFAOYSA-N,3,1,0.494,97,91,448.408,4.553,5,0.367,0.72,1.0,0.905275512302104,0.9058837639640874,0.9312932629703242,0.902594064834487,0.9112616510177507
EOS-3-35352,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cc2F)n1,FKQHBWUDBIJLSF-UHFFFAOYSA-N,3,1,0.523,59,630,465.851,4.462,5,0.378,0.68,1.0,0.9535158659447605,0.9378126927558084,0.8464721403604962,0.8598793776985814,0.8994200191899115
EOS-3-35353,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)nn2C)nc1,FBKQEMIQRCDTNE-UHFFFAOYSA-N,3,1,0.389,31,105,434.851,2.313,5,0.383,0.6,1.0,0.25318689603180045,0.2946251113700226,0.06497155780960866,0.06850969775889247,0.17032331574258106
EOS-3-35354,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccn1,HRQFADAVLAANOF-UHFFFAOYSA-N,3,1,0.456,75,624,436.838,3.353,5,0.39,0.61,1.0,0.6463573435679528,0.5546912480296073,0.6614436981701048,0.6310910835446508,0.623395843328079
EOS-3-35355,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)c1,IGVLXZCCMLATCV-UHFFFAOYSA-N,3,1,0.457,26,55,436.838,3.353,5,0.39,0.61,1.0,0.5556079089849908,0.5315005825508875,0.5169196765129189,0.5111627030361181,0.5287977177712289
EOS-3-35356,COc1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1ccncn1,RUTRGWBQWBQCSU-UHFFFAOYSA-N,3,1,0.453,15,248,428.456,2.878,5,0.407,0.59,1.0,0.3319083681721609,0.185037009115208,0.2590209718319512,0.12927489548351723,0.22631031115070932
EOS-3-35357,Cc1csc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)n1,CPZSCABUOGDRFH-UHFFFAOYSA-N,3,1,0.512,27,343,451.462,4.53,5,0.375,0.74,1.0,0.6979987663628264,0.6361627030361181,0.5957696525255294,0.5279453087519704,0.6144691076691111
EOS-3-35358,Cc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cn1,DMDHTNJEMUDPRJ-UHFFFAOYSA-N,3,1,0.483,13,145,416.391,4.627,5,0.425,0.8,1.0,0.7496487560825166,0.7091357686244946,0.8606332670824481,0.8345384140908779,0.7884890514700843
EOS-3-35359,Cn1cncc1CCOc1cncc2nnc(-c3cnc(Cl)c(-c4ccc(F)cn4)c3)n12,GOKCNOMXAGIBEU-UHFFFAOYSA-N,3,1,0.455,87,307,450.865,3.396,5,0.366,0.64,1.0,0.6710643547392228,0.6603728325680214,0.49204989377013225,0.5147179768350353,0.5845512644781029
EOS-3-35360,Cc1nc(-c2ncccn2)c(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cc4)n23)s1,JGPOTACSUJXFEC-UHFFFAOYSA-N,3,1,0.267,98,213,453.495,2.871,6,0.396,0.55,1.0,0.07122541292577617,0.08192550202179426,0.014178260571585223,0.016294291001302173,0.04590586663011446
EOS-3-35361,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cn5)n34)cn2)n(C)n1,WGSPQZHDTUNESM-UHFFFAOYSA-N,3,1,0.263,70,813,466.534,3.784,6,0.386,0.63,0.981,0.0437512850387225,0.041472483037488864,0.05904324583647454,0.04785484202590638,0.04803046398464807
EOS-3-35362,Fc1cc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)c(F)nc1Cl,NLIBDJYLCBVLGP-UHFFFAOYSA-N,3,1,0.422,46,949,452.812,3.549,5,0.373,0.63,1.0,0.8065588376396409,0.7045438969227606,0.6614522650949215,0.6629600438626551,0.7088787608799945
EOS-3-35363,Fc1ccccc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4ncccn4)cc3F)n12,LCWUXMKQCVFZDF-UHFFFAOYSA-N,3,1,0.342,64,27,464.439,4.651,6,0.375,0.71,1.0,0.30126447810294016,0.4196593790692893,0.6664810499623055,0.7407991227468987,0.5320510074703584
EOS-3-35364,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(OCC(F)F)nc3)n12,RMUDWLJGKUXSAL-UHFFFAOYSA-N,3,1,0.306,82,697,462.42,3.358,5,0.359,0.65,1.0,0.4942001918991159,0.4417534781714756,0.735299157014598,0.5768110479062436,0.5620159687478583
EOS-3-35365,COc1cnc(-c2cc(COc3cncc4nnc(-c5cnc(C)cn5)n34)ncn2)cn1,LFWYOJPVNPITIA-UHFFFAOYSA-N,3,1,0.375,7,828,428.416,1.724,5,0.39,0.59,1.0,0.3577633472688644,0.1937667055033925,0.06498012473442533,0.02571790829963676,0.1605570214515797
EOS-3-35366,CCn1nc(-c2nc(C)nn2C)cc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cn3)n12,DZGAUSOYRMQMNT-UHFFFAOYSA-N,3,1,0.227,99,286,467.501,1.969,6,0.373,0.63,0.928,0.0337451168528545,0.014957850729901995,0.004643273250633953,0.002184565828250291,0.013882701665410186
EOS-3-35367,Fc1cccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cnco5)cn4)n23)c1,ULCDBJALLPLAOB-UHFFFAOYSA-N,3,1,0.387,32,20,441.451,4.771,6,0.389,0.73,1.0,0.32683674868069357,0.4151360427660887,0.49891200054828316,0.5768196148310603,0.4544261017065314
EOS-3-35368,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n[nH]2)cn1,KWNSNENZTLJPKB-UHFFFAOYSA-N,3,1,0.385,46,915,423.799,2.738,5,0.428,0.63,1.0,0.535150092522788,0.6027859639503804,0.3030463984648071,0.3978822561853197,0.4597161777808238
EOS-3-35369,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5sncc5C)n34)c2)n1,BKTBNSUKSFFQQE-UHFFFAOYSA-N,3,1,0.519,16,256,416.47,3.296,5,0.43,0.73,1.0,0.29882290453018984,0.27883626893290386,0.08716846000959495,0.0722791446782263,0.18427669453772874
EOS-3-35370,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccsc6)cn5)n34)cc2)n1C,QAINVXMOKFBPQN-UHFFFAOYSA-N,3,1,0.315,42,106,450.531,4.686,6,0.387,0.69,1.0,0.14300767596463573,0.09760297443629634,0.3472174628195463,0.32128538139949286,0.22727837365499282
EOS-3-35371,Clc1cnc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)nc1,TUKXKGXGGLBFSR-UHFFFAOYSA-N,3,1,0.46,51,196,417.82,2.666,5,0.425,0.63,0.999,0.5454732369268728,0.5407871290521554,0.20584606949489412,0.2428637516277157,0.3837425467754095
EOS-3-35372,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5F)cc4)n23)cc1,HRQRBDXYWPWLRJ-UHFFFAOYSA-N,3,1,0.381,83,472,467.479,5.296,6,0.381,0.83,1.0,0.3295438969227606,0.3677609485299157,0.8074926324446576,0.8663302720855321,0.5927819374957165
EOS-3-35373,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3cncc(-c4cncs4)n3)n12,ICJFYFAQYFCKLL-UHFFFAOYSA-N,3,1,0.438,80,350,472.469,3.208,6,0.388,0.66,1.0,0.5805205263518607,0.6310225481461175,0.28866253169762185,0.28138921252827087,0.44539870468096776
EOS-3-35374,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)ccc2F)cn1,GLBVGKLFXOZCGT-UHFFFAOYSA-N,3,1,0.7,88,360,462.435,4.596,5,0.367,0.72,1.0,0.9785312864094304,0.9753872250017134,0.915230278939072,0.894858131725036,0.941001730518813
EOS-3-35375,Cc1cccnc1CCOc1cncc2nnc(-c3cc(Cl)nc(-c4cncn4C)c3)n12,IACWJDRINAQMGS-UHFFFAOYSA-N,3,1,0.505,58,624,446.902,3.565,5,0.368,0.65,1.0,0.4967788362689329,0.5178963059420191,0.2813206771297375,0.2637756151052018,0.3899428586114728
EOS-3-35376,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnnc5)ncn4)n23)cn1,GJOQMZCGFJBHHB-UHFFFAOYSA-N,3,1,0.315,82,974,410.401,1.46,5,0.467,0.74,1.0,0.1430162428894524,0.03782297306558838,0.0990507847303132,0.060465355356041396,0.08508883901034885
EOS-3-35377,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c(F)cn2)nc1,OFLZBKYFSWMYNS-UHFFFAOYSA-N,3,1,0.449,55,434,459.832,3.281,5,0.363,0.65,1.0,0.8442704406826126,0.8671526968679323,0.7118343499417449,0.7029761496813104,0.7815584092934
EOS-3-35378,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncccn1,HWKKZSQJFOJTDF-UHFFFAOYSA-N,3,1,0.365,51,924,445.874,3.228,5,0.388,0.57,0.998,0.5835360838873278,0.559805702145158,0.06922075251867589,0.08488965800836132,0.32436304913988073
EOS-3-35379,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cncnn5)n34)nc2Cl)cn1,GSZNLWYORNTJTG-UHFFFAOYSA-N,3,1,0.389,31,779,434.851,2.047,5,0.369,0.62,1.0,0.4647642382290453,0.41966794599410595,0.12087930916318278,0.1502038928106367,0.2888788465492427
EOS-3-35380,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)c(Cl)n1,UOVNIZQRONIRHA-UHFFFAOYSA-N,3,1,0.49,65,510,447.89,2.96,5,0.365,0.62,1.0,0.637533411006785,0.6078061818929477,0.12620793639915015,0.1252398738948667,0.3741968507984374
EOS-3-35381,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)o1,YHCKNWDNABZEBM-UHFFFAOYSA-N,3,1,0.554,72,628,417.404,3.305,5,0.388,0.72,1.0,0.7815691179494209,0.6361712699609349,0.3812795558906175,0.33075183332191077,0.5324429442807209
EOS-3-35382,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1ccnc(C)n1,JEOSMXLVDHEGTO-UHFFFAOYSA-N,3,1,0.408,31,690,456.485,3.936,5,0.379,0.67,0.871,0.5143324652182852,0.5045233363032006,0.2232283599479131,0.15021245973545336,0.34807415530121305
EOS-3-35383,COc1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1-c1ccsn1,QHCOUYKFILLMBW-UHFFFAOYSA-N,3,1,0.488,97,383,452.446,4.176,5,0.382,0.67,1.0,0.8418460009594956,0.6798968542252073,0.7801127407305873,0.6919590843670756,0.7484536700705915
EOS-3-35384,COCc1ccc(-c2nnc3cncc(OCc4cccc(-n5ccnn5)n4)n23)cn1,VDECTSGLOQWNCA-UHFFFAOYSA-N,3,1,0.489,92,205,415.417,1.887,5,0.392,0.73,1.0,0.1929442807209924,0.1766242889452402,0.13502330203550134,0.08667157837022822,0.14781586251799053
EOS-3-35385,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)c1,YAGGPATUZMTUDY-UHFFFAOYSA-N,3,1,0.345,3,158,469.871,4.289,6,0.379,0.68,0.998,0.03783153999040505,0.2634929065862518,0.40319374957165377,0.62523130697005,0.3324373757795902
EOS-3-35386,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)n1,RQYCEHLARYCMIX-UHFFFAOYSA-N,3,1,0.473,36,728,429.404,0.45,5,0.4,0.58,1.0,0.26643136179836885,0.14117435405386883,0.010820026043451442,0.004240627784250566,0.10566659241998493
EOS-3-35387,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)n1,KXSFYWKRLAGCJO-UHFFFAOYSA-N,3,1,0.472,16,55,448.849,3.718,5,0.375,0.62,1.0,0.7375865259406483,0.7138218764992118,0.5863117675279281,0.5892930573641286,0.6567533068329793
EOS-3-35388,Cc1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cnn1,UXVZNWFPLSYAAB-UHFFFAOYSA-N,3,1,0.323,32,687,443.474,4.076,6,0.401,0.58,0.993,0.08142862038242753,0.06407203070385854,0.3287386059899938,0.33721129463367827,0.20286263792748954
EOS-3-35389,Clc1nc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)cs1,XFJJPMIJWAWJMJ-UHFFFAOYSA-N,3,1,0.542,4,31,421.873,3.937,5,0.424,0.69,1.0,0.48192378863683094,0.5788157083133438,0.47137790418751285,0.49772119799876635,0.5074596497841135
EOS-3-35390,Cc1nc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1ccccn1,UCXVQACKQSAOTJ-UHFFFAOYSA-N,3,1,0.426,46,348,447.861,4.323,5,0.37,0.68,1.0,0.8039459255705572,0.6897316839147419,0.6527054348571036,0.6428620382427523,0.6973112706462887
EOS-3-35391,c1cc(-c2nnco2)nc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)n1,NTDBJZZLWRMMKQ-UHFFFAOYSA-N,3,1,0.387,6,297,456.451,2.729,6,0.365,0.66,0.999,0.4004951682544034,0.36776951545473235,0.059051812761291206,0.05313206771297375,0.2201121410458502
EOS-3-35392,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccn(C)c(=O)c5)n34)cn2)n1,XIBBKKKQURRMKL-UHFFFAOYSA-N,3,1,0.506,36,760,416.405,0.654,5,0.405,0.71,1.0,0.23982249331779865,0.07831025974916044,0.0444966074977726,0.02944452059488726,0.09801847028990475
EOS-3-35394,c1ncc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)nn1,HQNTVKMAWVVUNS-UHFFFAOYSA-N,3,1,0.427,71,614,456.455,1.859,6,0.39,0.61,1.0,0.3876190802549517,0.3821019806730176,0.023327736275786444,0.02572647522445343,0.20469381810705228
EOS-3-35395,COc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cscn1,QMDJOXSKTXKYDV-UHFFFAOYSA-N,3,1,0.511,72,224,451.899,3.946,5,0.382,0.69,1.0,0.5722791446782263,0.6027945308751971,0.43217565622644094,0.3757453224590501,0.4957486635597286
EOS-3-35396,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)cnn4)n23)c(F)n1,VVLPEDKVPZSNMD-UHFFFAOYSA-N,3,1,0.429,53,87,435.398,2.276,5,0.374,0.62,1.0,0.4320385854293743,0.34380782674251253,0.35115824823521347,0.3531286409430471,0.37003332533753686
EOS-3-35397,CCn1cncc1-c1cncc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c1,XDFYLJRHJQFHIJ-UHFFFAOYSA-N,3,1,0.424,13,995,419.395,4.14,5,0.426,0.7,1.0,0.5143410321431019,0.5134072373380851,0.7731563977794531,0.7382033445274484,0.6347770029470221
EOS-3-35398,Cn1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)c1,FPSJTFSVWRAHPI-UHFFFAOYSA-N,3,1,0.414,31,466,451.853,2.791,5,0.387,0.57,0.975,0.5194554862586526,0.4859245425262148,0.3922452196559523,0.4167808923308889,0.4536015351929271
EOS-3-35399,CCn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)nn4)n23)nc1,GDHLICHOKPNHMY-UHFFFAOYSA-N,3,1,0.231,99,813,450.47,2.322,6,0.388,0.59,0.645,0.05289219381810705,0.011411143855801522,0.028544993489137138,0.024766979644986635,0.029403827702008084
EOS-3-35400,Fc1cncc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ncno4)s3)n12,NJDGKYVFLYTKPD-UHFFFAOYSA-N,3,1,0.402,46,980,429.824,3.669,5,0.416,0.63,1.0,0.5923942841477623,0.42419128229730657,0.4433040915632924,0.5111712699609349,0.492765231992324
EOS-3-35401,c1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn[nH]c6)cc5)n34)cc2)c1,YIUPLLUZLFRAMP-UHFFFAOYSA-N,3,1,0.293,9,894,416.448,4.305,6,0.46,0.73,1.0,0.1456205880337194,0.1485504763210198,0.6964738537454596,0.7057604002467275,0.4241013295867316
EOS-3-35402,Cn1nc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1-c1cscn1,IMBGDUOYKYLNQU-UHFFFAOYSA-N,3,1,0.467,95,493,438.904,3.318,5,0.401,0.59,1.0,0.3390360496196285,0.2840363922966212,0.1919590843670756,0.24855218970598314,0.26589592899732706
EOS-3-35403,COc1cc(-c2nnc3cncc(OCCc4ccc(-c5nccn5C)nn4)n23)ccc1Cl,HLHHGEPVLRHVDM-UHFFFAOYSA-N,3,1,0.478,15,771,462.901,3.265,5,0.363,0.63,0.999,0.5805290932766775,0.679905421150024,0.2554228634089507,0.23705537660201495,0.43822818860941676
EOS-3-35404,CCc1nc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1cnc(C)cn1,QTHGZAQGQRCHHK-UHFFFAOYSA-N,3,1,0.516,49,159,455.497,4.275,5,0.362,0.7,0.999,0.6232266465629498,0.6262250702487835,0.3658933589198821,0.3307604002467274,0.4865263689945857
EOS-3-35405,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4c(-c5cscn5)ncn4C)n23)cc1,DMCBCLGQMZTLAU-UHFFFAOYSA-N,3,1,0.303,98,890,440.496,3.111,6,0.415,0.56,1.0,0.06527140017819204,0.08193406894661093,0.08482112260982798,0.09836543074497978,0.08259800561990269
EOS-3-35406,c1coc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)n1,ZBSUAUDQQKYOCH-UHFFFAOYSA-N,3,1,0.479,6,584,438.411,2.6,6,0.412,0.56,1.0,0.4530361181550271,0.4011034199163868,0.15632924405455417,0.12066513604276609,0.2827834795421835
EOS-3-35407,Fc1c(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)ccnc1Cl,AMBOTYJOTZKPMS-UHFFFAOYSA-N,3,1,0.452,18,840,447.861,4.057,5,0.362,0.66,1.0,0.772873689260503,0.7761633883901035,0.7118429168665615,0.7356161332328147,0.7491240319374958
EOS-3-35408,Cc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCc3nc(Cl)ncc3F)n12,WBGBRMSWIXETRN-UHFFFAOYSA-N,3,1,0.411,36,79,451.853,3.057,5,0.375,0.63,1.0,0.43671612637927487,0.5000171338496333,0.34722602974436295,0.3403210883421287,0.40607009457885
EOS-3-35409,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)c5)ncn4)n23)nc1,SOCDCFBJUVJKOB-UHFFFAOYSA-N,3,1,0.406,46,128,451.277,3.924,5,0.371,0.62,1.0,0.4967874031937496,0.6799139880748406,0.5863203344527449,0.6569460626413542,0.6049919470906724
EOS-3-35410,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cc(F)n1,WQCKRNDMIMLNFI-UHFFFAOYSA-N,3,1,0.476,55,242,418.367,2.896,5,0.402,0.67,1.0,0.8465235419093962,0.7503598108423001,0.5538773901720239,0.5010708656020835,0.6629579021314509
EOS-3-35411,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cc1,DABDBPYGJWGXFJ-UHFFFAOYSA-N,3,1,0.352,29,704,408.425,2.67,5,0.487,0.8,1.0,0.2096583510383113,0.06408059762867521,0.17246076348433967,0.1272616681516003,0.14336534507573162
EOS-3-35412,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3nnc(-c4ccc(F)nc4)s3)n12,WCHPESDGTTUSMR-UHFFFAOYSA-N,3,1,0.483,4,534,453.89,4.385,5,0.364,0.76,1.0,0.6038054280035638,0.8131211020492084,0.4283376739085738,0.52445000342677,0.592428551847029
EOS-3-35413,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)cn1,MLOXSELMXBXWET-UHFFFAOYSA-N,3,1,0.712,91,781,460.9,4.971,5,0.356,0.79,1.0,0.9252450140497567,0.9252964155986567,0.8433023781783291,0.8304691248029608,0.8810782331574258
EOS-3-35414,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)cc1F,FCHNLVDOWXSPKN-UHFFFAOYSA-N,3,1,0.441,59,146,464.407,3.737,5,0.409,0.66,1.0,0.7162720169967788,0.7138304434240285,0.9463282160235762,0.9418734151189089,0.829576022890823
EOS-3-35415,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5csc(C)n5)ncn4)n23)cn1,STMYSNOLSBTSHI-UHFFFAOYSA-N,3,1,0.394,7,828,417.458,2.691,5,0.425,0.7,1.0,0.29082996367623876,0.21257110547597835,0.05141868274964019,0.02945308751970393,0.1460682098553903
EOS-3-35416,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnc(F)c5)n4)n23)nc1,QKJJOIYWNJCQOJ-UHFFFAOYSA-N,3,1,0.298,29,849,414.364,1.338,5,0.43,0.69,0.447,0.1758275649372901,0.15245699403742033,0.09641217188677952,0.08668014529504489,0.1278442190391337
EOS-3-35417,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nn2)ncc1Cl,GWAURCFLCSDELI-UHFFFAOYSA-N,3,1,0.387,54,411,465.304,4.233,5,0.355,0.71,0.999,0.6770869028853402,0.6456976903570695,0.579869440065794,0.6458176273045028,0.6371179151531766
EOS-3-35418,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)ccnc1Cl,IVHBHMPNIRLDCY-UHFFFAOYSA-N,3,1,0.462,54,411,448.849,3.452,5,0.364,0.62,0.984,0.8039544924953739,0.7803611815502707,0.4467822630388596,0.504643273250634,0.6339353025837845
EOS-3-35419,Fc1cncc(-c2cc(-c3nnc4cncc(OCCCc5ccccc5F)n34)ccn2)c1,HJEKHEWUKRLVLJ-UHFFFAOYSA-N,3,1,0.593,11,183,444.445,4.538,5,0.343,0.73,1.0,0.8829586731546843,0.8285415667192104,0.7686416284010692,0.790230278939072,0.817593036803509
EOS-3-35420,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5F)c4)n23)ncc1Cl,KFXCNABWKMVQHK-UHFFFAOYSA-N,3,1,0.49,2,307,466.839,3.591,5,0.35,0.69,1.0,0.7956017407991227,0.8091203481598246,0.7589610033582346,0.7714858474402029,0.7837922349393462
EOS-3-35421,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,BWVSSHDOJKDGPL-UHFFFAOYSA-N,3,1,0.465,51,196,419.836,2.609,5,0.427,0.6,1.0,0.45304468507984375,0.42853471317935715,0.20585463641971077,0.2370639435268316,0.3311244945514358
EOS-3-35422,Cc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1ncc(F)cn1,IHTICSKMTBZFKH-UHFFFAOYSA-N,3,1,0.414,18,775,463.864,3.156,5,0.35,0.65,1.0,0.8346240833390446,0.7503683777671167,0.1756476595161401,0.1934754300596258,0.4885288876704818
EOS-3-35423,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)cc1,DQVAFGVIEOYDPN-UHFFFAOYSA-N,3,1,0.337,96,315,418.382,4.992,5,0.411,0.83,0.796,0.32426667123569325,0.5088753341100678,0.9444434925639092,0.9495493797546433,0.6817837194160783
EOS-3-35424,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)nc4)n23)c(F)n1,QGHSMIJPUAKHRG-UHFFFAOYSA-N,3,1,0.523,36,728,418.396,1.798,5,0.393,0.68,1.0,0.4341374820094579,0.4196765129189226,0.08717702693441162,0.07977520389281063,0.2551915564389007
EOS-3-35425,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,YFEIFDRPGIPNPS-UHFFFAOYSA-N,3,1,0.446,2,422,436.838,3.353,5,0.39,0.6,1.0,0.6204081282982661,0.5225995476663697,0.7016654101843602,0.6686656157905558,0.628334675484888
EOS-3-35426,Cn1c(-c2cccc(F)n2)nnc1-c1cncc2nnc(-c3ccc(-c4ncc(F)cn4)cc3)n12,HBYLLVAIFIHCNX-UHFFFAOYSA-N,3,1,0.338,8,635,468.431,3.384,6,0.362,0.63,1.0,0.19036563635117537,0.28404495922143785,0.23057878144061408,0.3182098553903091,0.2557998081008841
EOS-3-35428,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cccnc4Cl)n23)c1,BXZZHVYVIPGBID-UHFFFAOYSA-N,3,1,0.411,2,905,432.875,3.697,5,0.377,0.66,0.991,0.4575851552326777,0.4285432801041738,0.4680368035090124,0.4452830511959427,0.4498620725104516
EOS-3-35429,c1ccc(-c2nc3ccccc3nc2-c2cncc3nnc(-c4ccc(-n5ccnc5)nc4)n23)cc1,NXCXZBCDKDHPCO-UHFFFAOYSA-N,3,1,0.321,30,93,467.496,4.649,7,0.371,0.72,1.0,0.013270166541018437,0.021828524432869575,0.3396785689808786,0.4167894592557056,0.19789167980261807
EOS-3-35430,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ccncc1,ATSQCQCFJWICRZ-UHFFFAOYSA-N,3,1,0.523,97,83,444.882,4.489,5,0.356,0.72,1.0,0.6584110067850044,0.6556867246933041,0.747781166472483,0.6834435610993078,0.6863306147625249
EOS-3-35431,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cncnc1,FGSPAJPRIOYSFP-UHFFFAOYSA-N,3,1,0.434,87,349,461.873,2.717,5,0.357,0.63,0.994,0.527594064834487,0.5937307244191625,0.20943561099307792,0.18519121376190803,0.3789879035021589
EOS-3-35432,COc1cc(-c2ccc(Oc3cncc4nnc(-c5c(F)ccc(F)c5F)n34)nc2)ncn1,WWIDDLLSXPNWDA-UHFFFAOYSA-N,3,1,0.371,13,412,451.368,3.862,5,0.372,0.63,1.0,0.755517099581934,0.7888424371187719,0.8353522719484614,0.7460849153587829,0.7814491810019876
EOS-3-35433,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cc(C)n(C)n5)c4)n23)ccc1Cl,NKWPIVASJFMKHF-UHFFFAOYSA-N,3,1,0.506,16,214,445.914,4.436,5,0.398,0.7,1.0,0.49420875882393256,0.5937392913439792,0.6317678706051676,0.5640720307038586,0.5709469878692345
EOS-3-35434,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ncn2)cn1,DYYVEIWBJGHJOM-UHFFFAOYSA-N,3,1,0.423,18,194,432.394,2.938,5,0.377,0.59,0.977,0.7496573230073333,0.6262336371736001,0.5957782194503461,0.5862260982797615,0.6394738194777603
EOS-3-35435,Fc1ccnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)c1,AEPSHLDPKATUEP-UHFFFAOYSA-N,3,1,0.452,54,873,432.394,2.938,5,0.377,0.59,1.0,0.7318295524638476,0.554699814954424,0.5570300185045576,0.5768281817558769,0.6050968919196765
EOS-3-35436,Clc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ncncc3-c3ccccc3)n12,CZNWXHPSAOONRB-UHFFFAOYSA-N,3,1,0.298,30,498,463.892,4.421,6,0.378,0.67,0.998,0.23712391200054828,0.26871873072441915,0.5830906037968611,0.6975018847234596,0.446608782811322
EOS-3-35437,FCc1cc(-c2cc(-c3nnc4cncc(CCc5ncc(Cl)cn5)n34)ccn2)ccn1,ULSZNPYFKFDPNX-UHFFFAOYSA-N,3,1,0.374,75,580,446.877,3.946,5,0.389,0.61,1.0,0.4026797340826537,0.4104242341169214,0.3326108560071277,0.4071431019121376,0.3882144815297101
EOS-3-35438,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cc1,RLVSVMFCAUQZDD-UHFFFAOYSA-N,3,1,0.337,32,515,464.439,4.651,6,0.351,0.77,1.0,0.3415118908916455,0.48593310945103146,0.8016585566445069,0.8345469810156946,0.6159126345007196
EOS-3-35439,Cc1csc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)c(C)c5)ncn4)n23)n1,PIMIBHGXTUTWAS-UHFFFAOYSA-N,3,1,0.415,44,238,449.927,4.554,5,0.388,0.76,0.997,0.4276694537728737,0.4954509629223494,0.36239805359468164,0.3791720923857172,0.41617264066890547
EOS-3-35440,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)ccc2F)cn1,BKTNDSJQMFGBGO-UHFFFAOYSA-N,3,1,0.489,73,394,451.412,4.066,5,0.387,0.64,1.0,0.5222654375985196,0.6028030978000137,0.8481769583990131,0.812332944966075,0.6963946096909053
EOS-3-35441,Cc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)cnn4)n23)ccn1,BZTYCYVYZPXFFX-UHFFFAOYSA-N,3,1,0.528,19,207,427.443,3.712,5,0.408,0.64,1.0,0.6433417860324858,0.6125265574669316,0.5670704543896923,0.5640805976286752,0.5967548488794462
EOS-3-35442,Fc1cc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)ccn1,QXQCGQBTEMJFBX-UHFFFAOYSA-N,3,1,0.38,20,87,449.837,2.847,5,0.36,0.6,1.0,0.5609536700705915,0.5890189157699952,0.3472345966691796,0.4263158796518402,0.48088076554040166
EOS-3-35443,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)nn1,QKPHUDVNUFMKAR-UHFFFAOYSA-N,3,1,0.402,6,518,462.477,3.018,6,0.367,0.62,1.0,0.3242752381605099,0.23786923445959837,0.17565622644095674,0.16602700294702213,0.2259569255020218
EOS-3-35444,Cc1nc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)ccc1-c1cnccn1,UFXRGXKGUCGJRP-UHFFFAOYSA-N,3,1,0.398,7,690,444.886,3.888,5,0.402,0.59,1.0,0.6122095812487149,0.5687410047289425,0.39968131039682,0.36623603591254883,0.4867169830717566
EOS-3-35445,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c(F)c1,AXMSGMCQOHUYOR-UHFFFAOYSA-N,3,1,0.547,37,265,467.867,4.14,5,0.373,0.67,1.0,0.9239685422520731,0.8835497909670345,0.8075011993694743,0.8098999383181413,0.8562298677266809
EOS-3-35446,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cc(Cl)n1,KOTJMEAEBVLADF-UHFFFAOYSA-N,3,1,0.457,87,822,444.886,3.622,5,0.366,0.63,1.0,0.5953156055102461,0.660381399492838,0.417372010143239,0.4104242341169214,0.5208733123158111
EOS-3-35447,COc1cc(-c2nnc3cncc(OCc4cc(-c5nccnn5)ncn4)n23)ccc1Cl,OFCVSNINQJIRIL-UHFFFAOYSA-N,3,1,0.468,36,67,447.846,2.674,5,0.383,0.58,1.0,0.6493129326297032,0.7931001987526557,0.30305496538962373,0.2785278596395038,0.5059989891028717
EOS-3-35449,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)nc1,XVTIRZVCUPOYTO-UHFFFAOYSA-N,3,1,0.432,18,181,461.888,4.366,5,0.371,0.66,1.0,0.5979627852785964,0.6078147488177644,0.602280515386197,0.6196542389143993,0.6069280720992393
EOS-3-35450,Cc1c(F)cnc(-c2cnc(-c3ccccc3)nn2)c1-c1nnc2cncc(Cl)n12,SUCJQGXJEFCDFH-UHFFFAOYSA-N,3,1,0.562,22,844,418.823,3.806,5,0.439,0.63,1.0,0.2962870947844562,0.39130285792611885,0.310216914536358,0.4641474196422452,0.3654885717222946
EOS-3-35451,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)s3)n12,PEMBDNYKSUYOLV-UHFFFAOYSA-N,3,1,0.523,37,325,452.902,4.724,5,0.371,0.75,1.0,0.9657837022822288,0.9512027962442602,0.6411657871290521,0.6834521280241245,0.8104011034199164
EOS-3-35452,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(C)n4)n23)ccn1,VYGZBMUNDLDLGH-UHFFFAOYSA-N,3,1,0.465,26,624,444.474,3.534,5,0.379,0.64,1.0,0.47198615584949627,0.362697895963265,0.2886710986224385,0.21666609553834557,0.3350053114933863
EOS-3-35453,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(Cl)cn5C)cn4)n23)c(F)n1,FBUKALBHCUIHMK-UHFFFAOYSA-N,3,1,0.361,16,412,436.838,3.875,5,0.394,0.68,1.0,0.597971352203413,0.6361798368857515,0.4358337331231581,0.4071516688369543,0.5192841477623192
EOS-3-35454,COc1nc(-c2nccc(C)n2)ccc1-c1nnc2cncc(OCc3cc(Cl)cnn3)n12,QLQUGKFNVWIANJ-UHFFFAOYSA-N,3,1,0.412,7,587,461.873,2.983,5,0.372,0.61,1.0,0.464772805153862,0.4859416763758481,0.12088787608799945,0.09837399766979645,0.2924940888218765
EOS-3-35455,Fc1cnc(-c2cc(F)c(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)nc1,FNVSQUVLYGCVGO-UHFFFAOYSA-N,3,1,0.439,73,775,467.827,2.986,5,0.371,0.6,0.999,0.8039630594201905,0.8285501336440272,0.33261942293194435,0.4232146528682064,0.5970868172160921
EOS-3-35457,CCn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)nn1,BJWJECHMKKHMRU-UHFFFAOYSA-N,3,1,0.238,99,813,450.47,2.322,6,0.388,0.58,1.0,0.022111232951819614,0.016405661023918855,0.03868823247207182,0.038919539442121856,0.02903116647248304
EOS-3-35458,Cc1cn(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5C)n34)cn2)n1,JODRJVYENAFJQR-UHFFFAOYSA-N,3,1,0.329,82,478,415.888,4.524,5,0.433,0.82,0.991,0.2013227331916935,0.3438163936673292,0.48529059008978137,0.5078301692824344,0.38456497155780967
EOS-3-35459,Fc1cc(-c2nnc3cncc(OCc4ncc(-n5cccc5)cn4)n23)ccc1Cl,ZHAZCWAJFQGZCW-UHFFFAOYSA-N,3,1,0.538,73,756,421.823,3.744,5,0.43,0.63,1.0,0.8012901788773902,0.8727383318483997,0.7197330546227126,0.7562881228154342,0.7875124220409843
EOS-3-35460,Cc1cnnc(COc2cncc3nnc(-c4ccnc(-c5ncc(C#N)cn5)c4)n23)n1,QKALSGZHDUBUIM-UHFFFAOYSA-N,3,1,0.44,7,420,423.4,1.587,5,0.405,0.6,1.0,0.45542629017887737,0.40111198684120347,0.06697621821670893,0.06339524364334179,0.24672743472003292
EOS-3-35461,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,MAZWKECBUBEGPB-UHFFFAOYSA-N,3,1,0.565,72,386,413.416,3.404,5,0.421,0.76,1.0,0.8904632992940854,0.8917740387910356,0.5894301281611952,0.5833133438420944,0.7387452025221026
EOS-3-35462,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nccc(C6CCC6)n5)n34)cc2)ccn1,JBSCVURUZCZLTI-UHFFFAOYSA-N,3,1,0.314,52,856,423.455,4.717,6,0.389,0.8,1.0,0.35777191419368104,0.45956411486532794,0.2521588650538003,0.47039270783359605,0.38497190048660135
EOS-3-35463,FC(F)(F)c1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)s1,RDHNUSGNCDEMTB-UHFFFAOYSA-N,3,1,0.593,58,579,470.44,3.74,5,0.37,0.69,0.992,0.7195188815022959,0.8013415804262902,0.4680453704338291,0.337219861558495,0.5815314234802276
EOS-3-35464,N#Cc1cc(-c2cccnc2F)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,BVZPOSSLHJFRDB-UHFFFAOYSA-N,3,1,0.506,16,401,458.844,3.886,5,0.364,0.68,1.0,0.737595092865465,0.8248063874991433,0.8319769035706943,0.8304776917277774,0.80621401891577
EOS-3-35465,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5cccnc5F)c4)n23)ccc1Cl,NPZDLGPYSCJBMX-UHFFFAOYSA-N,3,1,0.659,84,884,464.863,4.801,5,0.336,0.81,1.0,0.9543725584264272,0.9544582276745939,0.9313018298951409,0.9332465218285244,0.9433447844561716
EOS-3-35466,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,BRYQTUPKVMPBPZ-UHFFFAOYSA-N,3,1,0.506,73,665,468.279,4.668,5,0.37,0.75,1.0,0.9100387225001714,0.9302052635186073,0.8156483448701254,0.8663388390103488,0.8805577924748131
EOS-3-35467,Cn1c(F)cnc1-c1cncc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c1,RVPHETHSELNPJL-UHFFFAOYSA-N,3,1,0.482,2,131,420.383,2.839,5,0.404,0.66,1.0,0.6433503529573025,0.4640189157699952,0.5703858542937427,0.5111798368857515,0.547233739976698
EOS-3-35468,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ncc(Cl)nn5)n4)n23)cc1,LEZOEVOASYPAAW-UHFFFAOYSA-N,3,1,0.547,37,563,462.876,3.761,5,0.375,0.61,1.0,0.9527619765608937,0.9563857857583442,0.3030635323144404,0.3757538893838668,0.6469912960043862
EOS-3-35469,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)nn1,BICBOLKQVGEOHM-UHFFFAOYSA-N,3,1,0.528,37,141,462.876,3.761,5,0.375,0.61,1.0,0.7376036597902816,0.813129668974025,0.43975738468919195,0.48559043245836475,0.6190202864779658
EOS-3-35470,Cc1nc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)ccc1F,GXBCKNDAXRVKFL-UHFFFAOYSA-N,3,1,0.517,75,496,432.484,4.379,5,0.396,0.69,1.0,0.7467445685696662,0.6361884038105682,0.4989205674730999,0.45799636762387774,0.584962476869303
EOS-3-35471,Cc1nnc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)c2ccccc12,ZDKFVQLDNBVFCL-UHFFFAOYSA-N,3,1,0.276,30,220,415.46,4.772,6,0.414,0.86,1.0,0.14302480981426907,0.11651874443149887,0.4358423000479748,0.5348331163045713,0.3075547426495785
EOS-3-35472,Fc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1nc[nH]n1,RVBOFGJWVRBRDS-UHFFFAOYSA-N,3,1,0.506,47,164,422.811,3.343,5,0.433,0.6,1.0,0.8921595504077856,0.8285587005688438,0.6964824206702762,0.7142759235144952,0.7828691487903502
EOS-3-35474,COc1ccnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nncc(C)n5)c4)n23)c1,BGZADZAVBVPJMN-UHFFFAOYSA-N,3,1,0.521,15,589,458.457,3.116,5,0.363,0.6,0.997,0.8346326502638612,0.7888510040435885,0.332627989856761,0.25161058186553353,0.551930556507436
EOS-3-35475,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1ccnc(C)n1,VKYNXVFUZWWSOV-UHFFFAOYSA-N,3,1,0.442,46,717,458.913,4.142,5,0.349,0.73,0.79,0.5222740045233363,0.49545952984716607,0.2813292440545542,0.2516191487903502,0.38767048180385166
EOS-3-35476,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c2)cn1,SRNITEGQEYLSNU-UHFFFAOYSA-N,3,1,0.426,18,157,449.396,3.682,5,0.365,0.64,1.0,0.8065674045644575,0.732335001028031,0.8417945994105955,0.8304862586525941,0.8027958159139195
EOS-3-35477,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cn2)cn1,JSMWJWARRMRDRJ-UHFFFAOYSA-N,3,1,0.326,25,219,480.467,3.254,6,0.366,0.77,1.0,0.32167945994105956,0.4552977863066274,0.36240662051949835,0.32755637036529367,0.3667350592831197
EOS-3-35478,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(Cc5ccc6ncccc6c5)n34)c2)o1,XKKUGWJAFNPZFE-UHFFFAOYSA-N,3,1,0.33,14,358,436.45,5.033,6,0.385,0.76,1.0,0.38522890823110134,0.455306353231444,0.7708690288534028,0.7641182920978685,0.5938806456034542
EOS-3-35479,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)nc1,BMRHSRVRSCSTFO-UHFFFAOYSA-N,3,1,0.342,42,57,462.904,5.026,6,0.362,0.77,1.0,0.28251147967925433,0.3531886094167638,0.6638767048180385,0.6975104516482763,0.4992718113905832
EOS-3-35480,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4sncc4F)n23)cc1Cl,AOUPTYWFKLWBKC-UHFFFAOYSA-N,3,1,0.531,16,353,441.879,4.02,5,0.409,0.64,1.0,0.6677146871359056,0.7045524638475773,0.49205846069494896,0.5510503049825235,0.6038439791652388
EOS-3-35481,Fc1cnc(CCOc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)c(Cl)c1,AGIKBXCRYWPRGX-UHFFFAOYSA-N,3,1,0.494,37,202,447.861,4.057,5,0.387,0.59,1.0,0.7581642793502844,0.8131382358988417,0.6964909875950929,0.7486549928037831,0.7541121239120006
EOS-3-35482,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccccc5-c5cccnc5F)n34)n2)cc1,PXLQKNDNVWBQEZ-UHFFFAOYSA-N,3,1,0.318,3,118,452.428,4.379,6,0.369,0.66,0.99,0.032580015077787676,0.23277191419368104,0.6911623603591255,0.7665769995202522,0.43077282228771163
EOS-3-35483,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c(Cl)cn1,MZAUZQQHIQFSFK-UHFFFAOYSA-N,3,1,0.482,75,183,450.289,4.529,5,0.364,0.72,1.0,0.6951374134740593,0.7138390103488452,0.811870331025975,0.8385306010554452,0.7648443389760811
EOS-3-35484,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)nnc1Cl,XEGIZRABMNVFEQ-UHFFFAOYSA-N,3,1,0.44,87,307,466.839,3.591,5,0.374,0.64,1.0,0.7555256665067507,0.7888595709684052,0.5670790213145089,0.6485933109451032,0.6900143924336921
EOS-3-35485,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(C)c4)n23)ccc1F,IWJFHKXCXABWBC-UHFFFAOYSA-N,3,1,0.528,26,125,443.486,4.139,5,0.376,0.66,1.0,0.7041155506819272,0.5362809265985882,0.5769138510040436,0.4885288876704818,0.5764598039887602
EOS-3-35486,Cc1cncc2nnc(-c3cccnc3OCc3cc(F)c(-c4csnn4)cn3)n12,JOURPTWGIVQXLX-UHFFFAOYSA-N,3,1,0.371,85,487,420.433,3.126,5,0.427,0.66,1.0,0.27976149681310397,0.41514460969090533,0.24127887053663216,0.2192618737577959,0.2888617126996093
EOS-3-35488,c1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)nc1,QTNZIRWXUFHTLB-UHFFFAOYSA-N,3,1,0.309,86,421,431.423,2.557,6,0.41,0.54,0.995,0.11020492084161469,0.056139058323624154,0.10670961551641422,0.14283633746830238,0.10397248303748886
EOS-3-35489,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,IOICXVPYMPSLMR-UHFFFAOYSA-N,3,1,0.365,69,220,434.434,5.314,6,0.374,0.83,1.0,0.31441470769652524,0.3913114248509355,0.7248132410389967,0.7902388458638887,0.5551945548625865
EOS-3-35490,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)n[nH]1,RNNWONZNXCJHFD-UHFFFAOYSA-N,3,1,0.543,11,595,447.405,2.836,5,0.399,0.61,1.0,0.8346412171886779,0.6173240353642656,0.716965937906929,0.6948461380302926,0.7159443321225413
EOS-3-35491,CC(C)(F)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cnccc4F)n23)cn1,XERIWVBUYYVIBQ-UHFFFAOYSA-N,3,1,0.383,82,243,430.422,4.049,5,0.424,0.62,1.0,0.3485025015420465,0.4553149201562607,0.6964995545199095,0.5737355218970598,0.5185131245288191
EOS-3-35492,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)s5)n34)cc2)c1,OSTMEHNBDRFWFI-UHFFFAOYSA-N,3,1,0.31,38,270,423.461,4.632,6,0.408,0.72,1.0,0.19295284764580906,0.2687272976492358,0.44331265848810913,0.482463504900281,0.34686407717085876
EOS-3-35493,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,JSXNDFHWWKYYSC-UHFFFAOYSA-N,3,1,0.544,15,604,461.913,3.87,5,0.34,0.71,1.0,0.695145980398876,0.4954680967719827,0.5234391062984032,0.4232232197930231,0.5343191008155712
EOS-3-35494,Cc1ncc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cn1,ZNDQHLQFXKCUKM-UHFFFAOYSA-N,3,1,0.506,13,145,416.391,4.627,5,0.425,0.79,1.0,0.7815776848742375,0.7589952710575012,0.8824617915153177,0.8564097731478308,0.8198611301487219
EOS-3-35495,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cn2)n(C)c1C,YHRQOHKZLOVZCE-UHFFFAOYSA-N,3,1,0.633,59,294,463.904,4.575,5,0.379,0.76,0.999,0.7346138030292646,0.7276060585292303,0.5334624083339045,0.5279538756767871,0.6309090363922967
EOS-3-35496,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(Cl)ccn5)cc4)n23)cc1,JCSSMBSAAPKBFJ-UHFFFAOYSA-N,3,1,0.597,1,230,427.895,5.394,5,0.376,0.83,1.0,0.9498320882735933,0.8727468987732163,0.8847662942910013,0.8810825166198342,0.8971069494894113
EOS-3-35497,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cn2)ccn1,MLDRYHHGZHRULO-UHFFFAOYSA-N,3,1,0.511,65,981,415.482,3.635,5,0.418,0.79,1.0,0.6092197244876979,0.5179048728668357,0.25216743197861696,0.20768795833047768,0.39674499691590703
EOS-3-35498,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cn(C)cn5)c(F)c4)n23)n(C)n1,YSBQUMJKSZNDOY-UHFFFAOYSA-N,3,1,0.483,36,662,418.436,2.952,5,0.436,0.66,1.0,0.4942173257487492,0.5045319032280172,0.3737920636008498,0.2844133369885546,0.41423865739154275
EOS-3-35499,Cc1nc(-c2ccc(F)cc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)ccc1F,DRGMYAZYFNWFAL-UHFFFAOYSA-N,3,1,0.284,10,783,467.443,4.083,6,0.385,0.63,1.0,0.01735658967856898,0.1766328558700569,0.6202881913508327,0.6486018778699199,0.36571987869234457
EOS-3-35500,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cc6F)nc5)n34)nc2)nn1,ULQQSPBCIGEINZ-UHFFFAOYSA-N,3,1,0.329,94,572,480.442,3.749,6,0.371,0.72,1.0,0.3193235556164759,0.41515317661572204,0.4818381193886642,0.5147265437598519,0.43276034884517856
EOS-3-35501,Cn1cnnc1-c1cc(Cl)c(Cl)c(Oc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,PSWSGSMIPBQDOW-UHFFFAOYSA-N,3,1,0.495,61,451,481.303,3.785,5,0.405,0.71,1.0,0.6770954698101569,0.55033925022274,0.5769224179288602,0.5674045644575423,0.5929404256048249
EOS-3-35503,Cn1nncc1-c1ccc(F)c(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,VVYVIKHJPRZQKJ-UHFFFAOYSA-N,3,1,0.472,73,79,454.828,3.492,5,0.401,0.59,1.0,0.6149509971900486,0.6406003700911521,0.7972894249880063,0.8123415118908917,0.7162955760400247
EOS-3-35504,Cc1nc(COc2cncc3nnc(-c4cccc(-c5cnncc5F)c4)n23)cs1,DOYNGXLSYFXUJA-UHFFFAOYSA-N,3,1,0.561,4,506,419.445,3.731,5,0.429,0.71,1.0,0.5019104242341169,0.504540470152834,0.4574395175107943,0.42955417723254063,0.47336114728257145
EOS-3-35505,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cn2)n1,ZVZXBJYXUDFQPS-UHFFFAOYSA-N,3,1,0.452,55,283,449.837,3.113,5,0.373,0.61,1.0,0.7581728462751011,0.754874580220684,0.3960318004249195,0.40716023576177096,0.579059865670619
EOS-3-35506,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)Cl)nc4)n23)cc1,ICFKPYPDKGDZDP-UHFFFAOYSA-N,3,1,0.36,66,688,410.84,3.81,4,0.506,0.73,1.0,0.27684874237543694,0.22291995065451306,0.7016739771091769,0.580203550133644,0.44541155506819274
EOS-3-35507,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)ccc2F)o1,WSNLXAJFOVECOE-UHFFFAOYSA-N,3,1,0.473,4,483,467.848,3.409,5,0.4,0.65,0.959,0.6801195942704407,0.7548831471455006,0.4888287300390652,0.5046518401754506,0.6071208279076143
EOS-3-35508,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(F)nc5)cn4C)n23)cn1,FKDKNLXNTYCABL-UHFFFAOYSA-N,3,1,0.444,55,390,416.42,3.008,5,0.406,0.76,1.0,0.6007299019943801,0.6218645055170996,0.3359862243848948,0.2667226372421356,0.4563258172846275
EOS-3-35509,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nc(Cl)n1,XWPRJIXDLLEYHL-UHFFFAOYSA-N,3,1,0.477,7,242,435.81,2.805,5,0.303,0.71,1.0,0.6771040367349737,0.7462134192310328,0.29214070317318896,0.30247241450209034,0.5044826434103215
EOS-3-35510,Cc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,GSPCRHYRWQQGSK-UHFFFAOYSA-N,3,1,0.306,32,327,442.486,4.681,6,0.391,0.66,0.939,0.16512747584127202,0.107566307998081,0.5131159618943184,0.5010794325269001,0.3217222945651429
EOS-3-35511,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)c1,NJYUAIXRESOICT-UHFFFAOYSA-N,3,1,0.551,91,70,463.904,4.484,5,0.354,0.74,1.0,0.5376430676444384,0.6028116647248304,0.5538859570968405,0.6137858954149819,0.5770316462202728
EOS-3-35512,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)cn1,BZWJRDXCGRBWLN-UHFFFAOYSA-N,3,1,0.488,87,4,444.886,3.622,5,0.391,0.58,1.0,0.6891405661023919,0.7969039133712562,0.2921492700980056,0.3152542663285587,0.5233620039750531
EOS-3-35513,c1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)cc1,OVIXMNNSJDXAIA-UHFFFAOYSA-N,3,1,0.357,69,696,433.5,5.039,6,0.387,0.76,1.0,0.09543554245767939,0.1640737440888219,0.5334709752587211,0.5924628195462956,0.3463607703378795
EOS-3-35514,c1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)n2)nc1,NHBANXYPXFNJEY-UHFFFAOYSA-N,3,1,0.337,32,368,433.5,5.039,6,0.387,0.76,1.0,0.049748132410389966,0.1107360701802481,0.45035467068741003,0.49150161058186553,0.2755851209649784
EOS-3-35515,Cc1nc(-c2cc(F)ccc2F)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)n1,WYDAXGWQRREEBP-UHFFFAOYSA-N,3,1,0.38,73,196,466.839,3.857,5,0.384,0.65,1.0,0.6980073332876431,0.6701733945582894,0.5504077856212733,0.6165615790555822,0.633787523130697
EOS-3-35516,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cn2)n1,KCEPEKZLDWMZDG-UHFFFAOYSA-N,3,1,0.308,86,664,456.857,3.446,6,0.366,0.66,1.0,0.0814371873072442,0.18504557604002467,0.17246933040915632,0.21927044068261256,0.16455563360975944
EOS-3-35517,COc1ncc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1cncc(Cl)c1,IDFCZVCZRHIOBC-UHFFFAOYSA-N,3,1,0.463,65,822,460.885,3.322,5,0.36,0.65,1.0,0.6433589198821191,0.6457062572818861,0.33968713590569527,0.3059420190528408,0.4836735830306353
EOS-3-35518,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)ccn1,RSNOWZWZFHWHDF-UHFFFAOYSA-N,3,1,0.457,75,496,448.849,3.452,5,0.364,0.61,1.0,0.7581814131999177,0.7631844972928518,0.4953481598245494,0.5377630045918717,0.6386192687272977
EOS-3-35519,Cc1ccc(-c2nnc3cncc(Cc4cccc(-c5cnc(F)c(F)n5)n4)n23)cc1,WMHRVQCBJNBYBZ-UHFFFAOYSA-N,3,1,0.371,14,81,415.407,3.821,5,0.444,0.69,1.0,0.42767802069769034,0.4553234870810774,0.5894386950860119,0.5802121170584607,0.51316307998081
EOS-3-35520,COc1ncc(-c2nnc3cncc(COc4ccnc(C)n4)n23)cc1-c1ccc(F)cn1,KRADEWGBCSHZGJ-UHFFFAOYSA-N,3,1,0.343,85,767,444.43,3.073,5,0.39,0.61,1.0,0.5532177369611404,0.5088839010348846,0.3030720992392571,0.1879411966280584,0.38827873346583514
EOS-3-35521,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccccc4Oc4ccc(F)cc4F)n23)c(F)c1,QIUPRAQDYXHVHA-UHFFFAOYSA-N,3,1,0.361,83,504,475.43,5.028,5,0.386,0.83,1.0,0.6149595641148653,0.6748595024330066,0.9313103968199575,0.9049242683846207,0.7815134329381125
EOS-3-35522,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)n(C)n1,WIBGXWNPKNVVFN-UHFFFAOYSA-N,3,1,0.5,65,349,430.447,3.051,5,0.408,0.6,1.0,0.4719947227743129,0.4331694195051744,0.41352546090055514,0.35001884723459664,0.4171771126036598
EOS-3-35523,Clc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ncn2)ccn1,OJASASUYLMTSDW-UHFFFAOYSA-N,3,1,0.386,31,602,466.292,3.362,5,0.347,0.66,0.368,0.5143495990679186,0.5407956959769721,0.31402062915495854,0.42632444657665686,0.44887259269412655
EOS-3-35524,Cc1ncc(-c2nnc3cncc(-c4cc(-c5ccccc5Cl)nc(C)n4)n23)cn1,UDGJMNQFARFSMM-UHFFFAOYSA-N,3,1,0.378,50,155,414.86,3.976,5,0.44,0.75,1.0,0.19566856281269276,0.32464361592762664,0.362415187444315,0.4263330135014735,0.327265094921527
EOS-3-35525,Cc1cc(-c2nnc3cncc(-c4cc(F)cc(-c5cnn(C)n5)c4)n23)nc(CF)n1,HMWLFAFZIUNXOY-UHFFFAOYSA-N,3,1,0.256,50,542,419.399,2.961,5,0.442,0.63,0.997,0.17310328284558973,0.16010725789870467,0.23420259063806456,0.2607000890960181,0.20702830511959425
EOS-3-35526,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)c1,KPJQWMIWOWGDSV-UHFFFAOYSA-N,3,1,0.524,16,256,423.889,3.881,5,0.426,0.66,1.0,0.6433674868069358,0.5788242752381605,0.4781714755671304,0.49463710506476594,0.5487500856692482
EOS-3-35528,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cnn2)c1,QGCAVYKVFXVFNA-UHFFFAOYSA-N,3,1,0.489,72,482,448.849,3.452,5,0.389,0.56,1.0,0.7041241176067439,0.8552875059968473,0.4609519566856281,0.5737440888218766,0.648526917277774
EOS-3-35529,Cc1nc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccc1-c1nccn1C,QKOBYPQXCUXWNF-UHFFFAOYSA-N,3,1,0.385,46,717,434.41,3.147,5,0.392,0.58,1.0,0.6584195737098211,0.4859502433006648,0.4747361387156466,0.4071688026865876,0.50656868960318
EOS-3-35530,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)nc1C,XKBQMXACZABRHQ-UHFFFAOYSA-N,3,1,0.371,31,602,461.917,3.443,5,0.362,0.66,0.796,0.38296724007950106,0.37242135563018297,0.12089644301281612,0.11832636556781578,0.24865285107257895
EOS-3-35531,Cc1nc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)nc2)c[nH]1,AXTIJULAZNAICF-UHFFFAOYSA-N,3,1,0.316,64,365,431.463,4.009,6,0.449,0.57,0.831,0.15412754437667056,0.07141388527174286,0.23758652594064836,0.26673120416695223,0.1824647899390035
EOS-3-35532,Cn1cncc1-c1cc(COc2cncc3nnc(-c4cnc(C(C)(C)O)nc4)n23)cnn1,AAGTWDGHOVDZPK-UHFFFAOYSA-N,3,1,0.441,92,986,444.459,1.578,5,0.41,0.57,0.976,0.3507127681447468,0.11358885614419847,0.09905935165512987,0.026600301555753547,0.14749031937495719
EOS-3-35533,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5F)c4)n23)cc1F,BECZNQRYXGZJKX-UHFFFAOYSA-N,3,1,0.724,88,222,447.42,4.892,5,0.371,0.76,1.0,0.9559403056678775,0.9534044959221438,0.9604465081214447,0.9619971215132616,0.9579471078061819
EOS-3-35534,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)cn2)cn1,NVUVFOSGVNMAJI-UHFFFAOYSA-N,3,1,0.482,13,995,450.289,5.051,5,0.378,0.76,1.0,0.6771126036597903,0.767767802069769,0.777825371804537,0.8035518470289905,0.7565644061407717
EOS-3-35535,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccsc4)cn3)n12,NNFFSHUKBQZRDR-UHFFFAOYSA-N,3,1,0.28,42,615,452.478,4.573,6,0.387,0.66,1.0,0.2205383455554794,0.27367041326845315,0.6719553149201563,0.7116030429716949,0.4694417791789459
EOS-3-35536,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,BIYPZIMBNMXMJN-UHFFFAOYSA-N,3,1,0.4,46,211,436.838,3.353,5,0.39,0.59,1.0,0.5324515112055377,0.4196850798437393,0.6527140017819204,0.622421355630183,0.5568179871153451
EOS-3-35537,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(C(F)(F)F)cn5)n34)nc2)ccn1,RHPKNOZCAHALGC-UHFFFAOYSA-N,3,1,0.305,50,243,438.348,3.863,5,0.312,0.74,0.998,0.2935114111438558,0.4506373792063601,0.9473819477760264,0.9182372695497224,0.6524420019189912
EOS-3-35538,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccncn5)cn4)n23)cc1,AABWGWLRXLCVDE-UHFFFAOYSA-N,3,1,0.433,56,197,462.477,3.018,6,0.367,0.57,1.0,0.592402851072579,0.31994894112809263,0.23421115756288122,0.1740456445754232,0.330152148584744
EOS-3-35539,c1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1,RISZBNNWWCYQNW-UHFFFAOYSA-N,3,1,0.342,9,7,418.424,3.095,6,0.463,0.6,1.0,0.10548454526763074,0.13373826331300118,0.20586320334452746,0.2667397710917689,0.17795644575423208
EOS-3-35540,Fc1cccc(-c2ccccc2-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)c1,JXNBBDZJKGKLJS-UHFFFAOYSA-N,3,1,0.343,30,696,459.488,5.04,6,0.359,0.79,1.0,0.2664399287231855,0.4011205537660201,0.7927403879103557,0.8123500788157083,0.5681627373038174
EOS-3-35542,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cc2)cc1Cl,UEORSTSVCLPLGI-UHFFFAOYSA-N,3,1,0.554,97,91,446.873,4.928,5,0.381,0.73,1.0,0.939911589335892,0.8784953053252005,0.8859742306901515,0.8782297306558837,0.8956527140017818
EOS-3-35543,Cc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccccc5Cl)n34)c2)cn1,BFUBPSMQNSKZQE-UHFFFAOYSA-N,3,1,0.506,59,521,446.873,4.928,5,0.381,0.73,1.0,0.770063737920636,0.8727554656980331,0.8606418340072648,0.8647710917688987,0.8420580323487081
EOS-3-35544,Cc1ncc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,LFWSRTJUOYHRRX-UHFFFAOYSA-N,3,1,0.623,97,210,446.873,4.928,5,0.381,0.73,1.0,0.9785398533342471,0.979653553560414,0.8999554519909533,0.8921081488588856,0.937564251936125
EOS-3-35545,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(CO)n4)n23)nc1F,MTLIXSSUERXORI-UHFFFAOYSA-N,3,1,0.381,7,94,433.407,1.587,5,0.397,0.63,0.742,0.4136368309231718,0.367778082379549,0.21978445617161263,0.16874271811390584,0.29248552189705984
EOS-3-35546,COc1cncc(CCOc2cncc3nnc(-c4cc(-c5nccc(C)n5)cnn4)n23)c1,IBVPAEJVFGFCMO-UHFFFAOYSA-N,3,1,0.402,65,466,441.455,2.372,5,0.371,0.58,1.0,0.4530532520046604,0.18089061750394078,0.12090500993763278,0.07019738194777603,0.20626156534850248
EOS-3-35547,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1,YYRRCSZUVSYPSY-UHFFFAOYSA-N,3,1,0.595,15,187,416.42,2.742,5,0.393,0.71,1.0,0.8886728120074018,0.727614625454047,0.39604036734973613,0.3562298677266808,0.5921394181344664
EOS-3-35548,Cc1nc(C)n(C)c(=O)c1Cc1cncc2nnc(-c3ccc(-c4cccnn4)nc3F)n12,CJDQPBITFZIDIW-UHFFFAOYSA-N,3,1,0.288,85,60,443.446,2.084,5,0.388,0.6,0.996,0.23713247892536496,0.2736789801932698,0.03715475292988829,0.04659550407785621,0.14864042903159483
EOS-3-35549,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nnc2Cl)cn1,FYRYTTOKCMJICA-UHFFFAOYSA-N,3,1,0.435,18,466,461.873,2.2,5,0.384,0.62,0.913,0.537651634569255,0.5362894935234048,0.2058717702693441,0.22497601261051334,0.37619722774312936
EOS-3-35550,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5cc(F)cc(-c6ccnc(F)c6)c5)n34)c2)n1,MIOQMLIVGDRDIY-UHFFFAOYSA-N,3,1,0.349,25,791,467.443,3.989,6,0.362,0.68,1.0,0.1401206223014187,0.2432920978685491,0.6664896168871222,0.7142844904393119,0.4410467068741004
EOS-3-35551,Cc1ncc(-c2nc(C)sc2-c2nnc3cncc(-c4cnc(C5(F)CC5)nc4)n23)cn1,OZYRIJNAZIUSBE-UHFFFAOYSA-N,3,1,0.289,51,489,445.487,3.737,6,0.412,0.62,0.978,0.1456291549585361,0.21748852032074567,0.010246042080734699,0.03034404770063738,0.10092694126516345
EOS-3-35552,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)s5)n34)cn2)n1C,JALRNBVFIIHGSU-UHFFFAOYSA-N,3,1,0.273,99,601,455.511,2.814,6,0.398,0.56,1.0,0.1029401685970804,0.11074463710506477,0.027431293262970325,0.023884586388869852,0.06625017133849634
EOS-3-35553,CCn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4OC)n23)cs1,JUDHIPCITJIBJO-UHFFFAOYSA-N,3,1,0.442,65,986,448.512,3.156,5,0.356,0.68,0.998,0.10774621341923103,0.04148104996230553,0.05543657048865739,0.03233157425810431,0.05924885203207457
EOS-3-35554,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cocn4)nc3Cl)n12,KSDKOSHMQXILQP-UHFFFAOYSA-N,3,1,0.524,58,28,437.822,3.65,5,0.371,0.64,1.0,0.7956103077239394,0.7323435679528476,0.5570385854293742,0.5833219107669111,0.667078592968268
EOS-3-35555,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nncs5)cc(C(F)F)c4)n23)nc1,CZHQEGQGEGTTCQ-UHFFFAOYSA-N,3,1,0.271,74,523,478.488,4.059,5,0.392,0.71,1.0,0.17311184977040642,0.14118292097868548,0.5199780686724693,0.4200191899115893,0.31357300733328763
EOS-3-35556,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(CC#N)c4)n23)cn1,ISAFFHVJHMXOGP-UHFFFAOYSA-N,3,1,0.406,92,45,424.428,2.022,5,0.401,0.59,0.989,0.3829758070043177,0.29948255774107324,0.1853539853334247,0.14042903159481873,0.2520603454184086
EOS-3-35557,COc1noc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)cn2)n1,KMYSDPYYPFWQRX-UHFFFAOYSA-N,3,1,0.435,55,283,454.809,3.011,5,0.353,0.67,1.0,0.677121170584607,0.5734271126036597,0.3432852443286958,0.30903467891165787,0.4757170516071551
EOS-3-35558,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)s1,CPRFDDDOGNIGAH-UHFFFAOYSA-N,3,1,0.554,54,294,436.447,4.475,5,0.404,0.66,0.987,0.7674679597011856,0.6173326022890823,0.797297991912823,0.7810294016859708,0.7407819888972654
EOS-3-35559,CC#Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)nn2C)n1,YRPFGTCIRRWRDR-UHFFFAOYSA-N,3,1,0.402,31,569,455.457,2.509,5,0.359,0.65,0.999,0.36914879035021586,0.25809574395175106,0.2626190802549517,0.22829141251456378,0.2795387567678706
EOS-3-35560,Cc1oncc1-n1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cn1,JUWGMGLJMDCFJI-UHFFFAOYSA-N,3,1,0.542,16,51,423.383,3.79,5,0.41,0.71,1.0,0.45759372215749433,0.3821105475978343,0.7353077239394147,0.6399664176547186,0.5537446028373655
EOS-3-35561,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)nn1,RKLQOIVEYSGGPQ-UHFFFAOYSA-N,3,1,0.529,43,613,450.836,4.759,5,0.384,0.67,1.0,0.9021914193681037,0.9364505517099582,0.927121170584607,0.9359622369954081,0.9254313446645193
EOS-3-35562,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1Cl,FTHLNOMYOHCTAN-UHFFFAOYSA-N,3,1,0.506,36,51,468.855,4.152,5,0.369,0.7,1.0,0.7757521759989034,0.7931087656774725,0.7973065588376397,0.7614711123295183,0.7819096532108835
EOS-3-35563,Cc1ncncc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,HEGSYJYBLPHAOW-UHFFFAOYSA-N,3,1,0.408,56,350,477.492,2.721,6,0.352,0.69,1.0,0.3065074360907409,0.18505414296484135,0.135031868960318,0.09433040915632925,0.18023096429305738
EOS-3-35564,COCc1cnc(-c2cccc(-c3nnc4cncc(Oc5cc(F)cnc5F)n34)c2)cn1,CWBAAROQSZGEMM-UHFFFAOYSA-N,3,1,0.418,13,735,447.405,3.86,5,0.362,0.62,1.0,0.8297752038928107,0.7323521348776643,0.7043125899527106,0.6224299225549996,0.7222174628195464
EOS-3-35565,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4ccccc4F)n23)n1,GHYIVFGGGIOHLZ-UHFFFAOYSA-N,3,1,0.581,19,570,462.435,4.596,5,0.367,0.7,1.0,0.8753512439174834,0.8285672674936605,0.8575748749228976,0.859887944623398,0.8553453327393599
EOS-3-35566,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)cn2)cn1,WCWJNJVFUILXQL-UHFFFAOYSA-N,3,1,0.511,65,981,460.885,3.322,5,0.36,0.62,1.0,0.7195274484271126,0.7803697484750873,0.38496333356178464,0.33722842848331164,0.555522239736824
EOS-3-35567,Fc1nc(-c2ccncc2F)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,CRLWFAVJUMKBQH-UHFFFAOYSA-N,3,1,0.417,18,116,433.382,2.333,5,0.372,0.59,1.0,0.6092282914125146,0.4954766636967994,0.2958844493180728,0.3090432458364745,0.4274081625659653
EOS-3-35568,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5csnn5)c4)n23)cc1,ZLNYGKNZCMLSGJ-UHFFFAOYSA-N,3,1,0.301,98,642,438.48,3.167,6,0.412,0.56,1.0,0.032588582002604345,0.03495305325200466,0.21289664861901172,0.2370725104516483,0.12937769858131726
EOS-3-35569,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cn4)n23)nc1,MNJAHPMTDYFLJR-UHFFFAOYSA-N,3,1,0.286,70,813,450.441,3.245,6,0.402,0.54,0.907,0.14870468096771983,0.1983757110547598,0.4032023164964704,0.3822647522445343,0.2831368651908711
EOS-3-35570,COc1cc(-c2nnc3cncc(OCc4cc(F)nc(C)n4)n23)ccc1-c1ccccc1,SHGKTPYGEWKPKC-UHFFFAOYSA-N,3,1,0.489,1,347,442.454,4.283,5,0.363,0.7,1.0,0.7555342334315674,0.7138475772736619,0.6202967582756493,0.5147351106846686,0.6511034199163868
EOS-3-35571,Cc1cc(-c2nnc3cncc(Cc4cc(-c5cc(F)ccc5F)ncn4)n23)ccn1,WZABIXREVHUOJY-UHFFFAOYSA-N,3,1,0.357,14,81,415.407,3.821,5,0.444,0.7,1.0,0.3829843739291344,0.3677866493043657,0.7429151531766157,0.7460934822835995,0.5599449146734288
EOS-3-35572,Cn1nc(-c2ccccn2)nc1CCc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,KXVLORVXXSLNPQ-UHFFFAOYSA-N,3,1,0.352,85,580,433.426,3.1,5,0.406,0.67,0.031,0.1844801590021246,0.2736875471180865,0.1180779247481324,0.14768521691453637,0.18098271194572
EOS-3-35573,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cnn2)cc1,MXDHQEGTQAXMTE-UHFFFAOYSA-N,3,1,0.536,16,772,433.834,4.015,5,0.413,0.58,1.0,0.7555428003563841,0.8091289150846412,0.7948906860393393,0.8385391679802618,0.7995253923651566
EOS-3-35574,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)cn5)n34)cnn2)s1,UHZQVSSDDKJWFH-UHFFFAOYSA-N,3,1,0.458,65,778,435.448,2.564,5,0.396,0.59,1.0,0.5638407237338086,0.545464670002056,0.0669847851415256,0.0702059488725927,0.3116240319374957
EOS-3-35575,Cc1nc(-c2cc(-c3cncc4nnc(-c5cc(C(F)(F)F)ccc5F)n34)n(C)n2)n(C)n1,YGQJBEVNGRSWIC-UHFFFAOYSA-N,3,1,0.32,22,542,457.395,3.454,5,0.386,0.63,0.998,0.22317695839901308,0.3677952162291824,0.7589695702830512,0.6834606949489411,0.508350609965047
EOS-3-35576,Cn1nccc1-c1cc(F)cc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,XVGKYHVRYJMMFR-UHFFFAOYSA-N,3,1,0.384,45,102,422.826,4.79,5,0.419,0.72,1.0,0.29083853060105547,0.5315091494757042,0.9536358028921939,0.9644900966349119,0.6851183949009663
EOS-3-35577,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5F)c4)n23)n(C)n1,LAZHIMIBJFTVQX-UHFFFAOYSA-N,3,1,0.451,4,43,450.865,3.662,5,0.377,0.64,1.0,0.40919916386813787,0.4954852306216161,0.4713864711123295,0.44529161812075935,0.4553406209307107
EOS-3-35578,Fc1ccc(-c2nc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccc2F)cn1,IIBLPFPITIHHAJ-UHFFFAOYSA-N,3,1,0.473,44,384,449.396,3.682,5,0.365,0.62,1.0,0.9021999862929203,0.8756767870605168,0.7708775957782195,0.7690871084915358,0.829460369405798
EOS-3-35579,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5C)n34)ccn2)s1,QAQUIOBSPIMGQU-UHFFFAOYSA-N,3,1,0.536,58,241,448.487,3.477,5,0.364,0.68,0.999,0.6204166952230827,0.5840672332259612,0.12915495853608389,0.11610753204029882,0.3624366047563567
EOS-3-35580,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)c5)cn4)n23)cc1,NJBVGIBCYQFESO-UHFFFAOYSA-N,3,1,0.543,1,210,412.428,4.275,5,0.429,0.83,1.0,0.8773559043245837,0.8810225481461175,0.7067370296758275,0.6948547049551093,0.7899925467754095
EOS-3-35581,Cn1cc(F)nc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccn1,KVDHNJCDGQOIPZ-UHFFFAOYSA-N,3,1,0.731,84,73,449.877,4.001,5,0.389,0.62,1.0,0.7008686861764101,0.6507521759989034,0.5737440888218766,0.6165701459803988,0.6354837742443972
EOS-3-35582,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3F)n12,DHZJGIVRPKUOHK-UHFFFAOYSA-N,3,1,0.451,16,375,466.864,3.362,5,0.375,0.65,1.0,0.6463659104927695,0.5641062984031252,0.5990422178054965,0.5279624426016037,0.5843692173257488
EOS-3-35583,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ocnc5C)n34)cc2F)n1,RROVPHRDWPHMCD-UHFFFAOYSA-N,3,1,0.506,16,677,418.392,2.966,5,0.424,0.63,1.0,0.8196233979850592,0.7091443355493112,0.21619491467342883,0.1797426495785073,0.4811763244465766
EOS-3-35584,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C)c(F)c5)n34)cn2)c(C)c(F)n1,OQSRAZGXZYWUKH-UHFFFAOYSA-N,3,1,0.457,16,677,459.46,4.426,5,0.359,0.72,1.0,0.7581899801247344,0.6406089370159688,0.6965081214447262,0.5862346652045781,0.6703854259475018
EOS-3-35586,Fc1cc(COc2cncc3nnc(-c4ccccc4F)n23)cc(-c2ccnc(F)c2)c1,FHOAVDJEORUNRR-UHFFFAOYSA-N,3,1,0.529,57,962,433.393,4.85,5,0.371,0.76,1.0,0.827599204989377,0.9234630936878898,0.9661777808237955,0.9664776231923788,0.9209294256733602
EOS-3-35587,CCOc1cc(F)ccc1-c1nnc2cncc(-c3cncc(-c4nncn4C)n3)n12,SFCKTADPGQSMAL-UHFFFAOYSA-N,3,1,0.386,50,985,417.408,2.582,5,0.429,0.67,0.877,0.2797700637379206,0.34382496059214585,0.18207285312864094,0.19348399698444246,0.2497879686107875
EOS-3-35588,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nncs5)cc4)n23)cn1,MVLCDSDKHUXFQI-UHFFFAOYSA-N,3,1,0.518,72,909,437.435,4.221,5,0.393,0.67,1.0,0.7815862517990542,0.6846857651977246,0.754720375573984,0.6629686107874717,0.7209902508395585
EOS-3-35589,Cc1cc(-c2cncc3nnc(-c4cc(-c5cccc(Cl)n5)cnn4)n23)nc(C)n1,KJANAFVYSMTZSK-UHFFFAOYSA-N,3,1,0.264,50,844,415.848,3.371,5,0.413,0.7,0.999,0.16238605989993832,0.18089918442875746,0.1987440888218765,0.25770166541018436,0.19993274964018917
EOS-3-35590,CCn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)cc1F,MVNLTHXZNJFBKN-UHFFFAOYSA-N,3,1,0.333,22,542,454.391,4.29,5,0.377,0.71,1.0,0.33904461654444523,0.47716057843876364,0.9054725515728874,0.8345555479405112,0.6390583236241518
EOS-3-35591,CCn1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)c1C,BOBFNTDGPSXERL-UHFFFAOYSA-N,3,1,0.417,36,617,448.878,2.796,5,0.385,0.61,1.0,0.2768573093002536,0.41043280104173807,0.02631759303680351,0.03764306764443835,0.1878126927558084
EOS-3-35592,Fc1cc(-c2nnc3cncc(OCc4cnc(F)c(-c5ccccn5)c4)n23)ccc1Cl,JLCKEMQQGLNOFG-UHFFFAOYSA-N,3,1,0.541,59,89,450.836,4.759,5,0.359,0.74,1.0,0.957576588307861,0.9709238571722295,0.9245682269892399,0.9266842574189569,0.9449382324720719
EOS-3-35593,Cn1ccnc1-c1cccc(-c2nnc3cncc(Oc4c(F)cc(F)cc4Cl)n23)c1,QYRKAYIXGXQEIS-UHFFFAOYSA-N,3,1,0.488,13,724,438.825,4.916,5,0.398,0.69,1.0,0.6204252621478994,0.6799225549996574,0.9033308203687205,0.9002295935850867,0.775977057775341
EOS-3-35594,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5)n34)o2)nc1,URBQKBOCRPIMMZ-UHFFFAOYSA-N,3,1,0.293,32,126,418.42,3.965,6,0.423,0.72,1.0,0.08824789253649509,0.017999109039819067,0.4540213145089439,0.4704012747584127,0.2576673977109177
EOS-3-35595,CCn1ncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)ccc2F)n1,YRNNMQKDYJLXPO-UHFFFAOYSA-N,3,1,0.468,4,677,464.892,4.145,5,0.372,0.71,0.991,0.4795164827633473,0.6556952916181208,0.36242375436913166,0.41367966554725516,0.4778287985744637
EOS-3-35596,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncc(F)c5)c4)n23)cn1,URNJUJITPITKQI-UHFFFAOYSA-N,3,1,0.454,2,879,482.479,3.254,6,0.375,0.8,1.0,0.47454766636967993,0.2788448358577205,0.2662171886779522,0.31202453567267496,0.33290855664450686
EOS-3-35597,Fc1cc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)ccn1,MWQUSZFMFNYJGM-UHFFFAOYSA-N,3,1,0.282,70,957,436.414,3.03,6,0.388,0.55,1.0,0.007007744500034268,0.11359742306901514,0.3549448290041807,0.3978908231101364,0.21836020492084163
EOS-3-35598,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5sncc5C)n34)c(Cl)c2)n1,JQCVRVIMIWJKBR-UHFFFAOYSA-N,3,1,0.506,16,256,450.915,3.949,5,0.396,0.64,1.0,0.48687547118086494,0.6507607429237201,0.18208142005345762,0.21927900760742924,0.384749160441368
EOS-3-35599,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(C(F)(F)F)n5)no4)n23)cc1,WTWXAKJWXVGMMF-UHFFFAOYSA-N,3,1,0.578,1,679,456.359,4.578,5,0.358,0.77,1.0,0.9608748543622782,0.9271040367349737,0.955100747035844,0.9060808032348708,0.9372901103419917
EOS-3-35600,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)nc1,UAJCBGZMUMBISG-UHFFFAOYSA-N,3,1,0.411,18,692,465.851,4.196,5,0.371,0.64,1.0,0.6918648481940922,0.679931121924474,0.7300219313275307,0.7832225344390378,0.7212601089712837
EOS-3-35601,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccncn4)n23)cc1,NKWLANJPPZEIGW-UHFFFAOYSA-N,3,1,0.447,56,8,462.477,3.018,6,0.367,0.58,1.0,0.5324600781303543,0.3095572613254746,0.17566479336577343,0.14284490439311906,0.29013175930368035
EOS-3-35602,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)cn1,UHDJFUBIKJXOQQ-UHFFFAOYSA-N,3,1,0.465,55,283,419.836,2.609,5,0.4,0.65,1.0,0.5428089233088891,0.5226081145911864,0.277671167157837,0.24287231855253238,0.39649013090261126
EOS-3-35603,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4nccnn4)cc3)n12,WERFGSSSWJFCIW-UHFFFAOYSA-N,3,1,0.575,37,265,448.849,3.452,5,0.389,0.57,1.0,0.960206634226578,0.9393119045987253,0.6142056747309985,0.637122198615585,0.7877116030429717
EOS-3-35604,Fc1ccc(Oc2nccnc2-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,JKHPLDFUCSEKMK-UHFFFAOYSA-N,3,1,0.448,64,50,462.448,4.637,6,0.365,0.75,1.0,0.6092368583373312,0.7091529024741279,0.6142142416558152,0.6137944623397985,0.6365996162017682
EOS-3-35606,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4)n23)nc1-c1cncnc1,BRFNGPKTNXWIRT-UHFFFAOYSA-N,3,1,0.416,80,868,466.44,3.146,6,0.393,0.64,1.0,0.5428174902337057,0.5641148653279419,0.38128812281543417,0.34032965526694536,0.4571375334110068
EOS-3-35607,Cc1ccnc(OCc2cncc3nnc(-c4cc(F)cc(-c5cnc(C)nc5C)c4)n23)c1,VMJHVDSYQOWRDC-UHFFFAOYSA-N,3,1,0.36,14,351,441.47,4.287,5,0.402,0.64,1.0,0.49422589267356587,0.4859588102254815,0.5471095195668563,0.41679802618052225,0.48602306216160646
EOS-3-35608,COc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,NUDWJQWZHAWWNC-UHFFFAOYSA-N,3,1,0.327,32,179,464.514,4.442,6,0.369,0.76,0.999,0.05462271263107395,0.0414896168871222,0.43218422315125765,0.38528887670481804,0.22839635734356797
EOS-3-35609,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c(F)c2)nn1C,MHUJZEFCFMBQPE-UHFFFAOYSA-N,3,1,0.506,20,563,465.88,3.099,5,0.376,0.63,1.0,0.5749006236721267,0.6310311150709341,0.12916352546090057,0.17405421150023986,0.3772873689260503
EOS-3-35610,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cccc(F)c5F)c4)n23)cn1,DSUZULXRXRRQQB-UHFFFAOYSA-N,3,1,0.366,96,46,461.447,5.165,5,0.4,0.78,1.0,0.5222825714481529,0.670181961483106,0.9815554108697142,0.9633164279350285,0.7843340929340004
EOS-3-35611,CCn1cc(CCOc2cncc3nnc(-c4cccc(-c5cnc(C)o5)c4)n23)cn1,TVKIEZFWKBKZQH-UHFFFAOYSA-N,3,1,0.524,15,655,415.457,3.593,5,0.401,0.77,1.0,0.24245253923651566,0.15246556096223698,0.19875265574669318,0.1292834624083339,0.18073855458844493
EOS-3-35612,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)nnc2F)s1,QODJCULEJRVWNQ-UHFFFAOYSA-N,3,1,0.394,53,602,437.424,1.354,5,0.38,0.61,0.998,0.49679597011856624,0.44176204509629224,0.008943869508601193,0.010237475155918031,0.2394348399698444
EOS-3-35613,COc1nccc(F)c1COc1cncc2nnc(-c3ccc(-c4cccc(F)n4)nc3)n12,ZQHLEICFRZDPMO-UHFFFAOYSA-N,3,1,0.44,24,786,447.405,3.509,5,0.365,0.65,0.985,0.8143633061476252,0.7184651497498458,0.5957867863751628,0.497729764923583,0.6565862517990542
EOS-3-35614,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)cn2)cn1,NBLLCFGFXXVMKS-UHFFFAOYSA-N,3,1,0.505,65,282,462.876,3.761,5,0.375,0.63,1.0,0.8957662257556027,0.9161640737440888,0.5990507847303133,0.5706000274141594,0.7453952779110411
EOS-3-35615,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4)n23)cc1,JMQQVCPFVYLGMK-UHFFFAOYSA-N,3,1,0.324,69,898,419.448,4.514,6,0.418,0.74,1.0,0.13761908025495168,0.06766157220204236,0.6499554519909533,0.6105818655335481,0.3664544924953739
EOS-3-35616,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1)N1CCCC1,ZYBZURGTLXUELU-UHFFFAOYSA-N,3,1,0.354,52,376,482.935,4.2,6,0.378,0.83,0.993,0.1515060653827702,0.13742204098416833,0.016174354053868824,0.10455931738743061,0.1024154444520595
EOS-3-35617,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C)nc1Cl,WSAVBXROAQBRNJ-UHFFFAOYSA-N,3,1,0.455,31,569,447.89,2.96,5,0.391,0.61,1.0,0.37134192310328284,0.3095658282502913,0.12091357686244945,0.13373826331300118,0.2338898978822562
EOS-3-35619,Cc1ncncc1-c1cncc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)c1,SRKVPFXDPMPQGE-UHFFFAOYSA-N,3,1,0.438,2,419,465.304,4.233,5,0.38,0.7,1.0,0.6584281406346378,0.6507693098485368,0.6936810362552258,0.7221317935713796,0.681252570077445
EOS-3-35620,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)nc2C)cn1,DGQCKLRSEIWRBY-UHFFFAOYSA-N,3,1,0.374,92,690,447.89,3.401,5,0.364,0.65,0.998,0.2531954629566171,0.36270646288808167,0.21290521554382838,0.17671852511822356,0.25138141662668767
EOS-3-35621,Fc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5ccc(F)nc5)c4)n23)c1,JEKPLBHEWJBXPG-UHFFFAOYSA-N,3,1,0.679,57,222,447.42,4.892,5,0.347,0.77,1.0,0.94984065519841,0.9544667945994106,0.9551093139606607,0.9560516756904941,0.9538671098622439
EOS-3-35622,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1cccnc1,GMRHQECUCWFPOP-UHFFFAOYSA-N,3,1,0.548,4,83,430.493,4.206,5,0.399,0.68,1.0,0.3144232746213419,0.31995750805290935,0.3585600712768145,0.2546861078747173,0.3119067404564458
EOS-3-35623,Fc1ccc(-n2cc(Cc3cncc4nnc(-c5ccc(-c6cncnn6)c(F)c5)n34)cn2)nc1,NPOFXEHLTPRXBM-UHFFFAOYSA-N,3,1,0.309,10,151,468.431,3.093,6,0.379,0.61,1.0,0.09786854910561305,0.23787780138441506,0.5538945240216572,0.5893016242889453,0.36973562470015764
EOS-3-35624,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)c(Cl)c3)n12,GEDHTMFVYCTSKP-UHFFFAOYSA-N,3,1,0.619,91,955,457.921,5.137,5,0.337,0.84,1.0,0.8866253169762183,0.8756853539853334,0.8336988554588445,0.7925176478651224,0.8471317935713796
EOS-3-35625,Fc1nc(CCOc2cncc3nnc(-c4cncc(-c5cnco5)c4)n23)ccc1Cl,JNFRCIDRPVYZRP-UHFFFAOYSA-N,3,1,0.5,87,419,437.822,3.65,5,0.371,0.66,1.0,0.8118360633267082,0.6897402508395586,0.6083201973819478,0.6165787129052156,0.6816188061133575
EOS-3-35626,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cnn2)nc1,OGDRFKJUFTXBJF-UHFFFAOYSA-N,3,1,0.505,58,778,432.394,2.938,5,0.377,0.6,1.0,0.8169076828181756,0.7276231923788636,0.5570471523541909,0.5609108354465081,0.6656222157494346
EOS-3-35627,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nnc2ccccn12,WGZONNVRRISLAG-UHFFFAOYSA-N,3,1,0.461,73,210,473.859,3.663,6,0.373,0.69,1.0,0.8753598108423001,0.8131468028236584,0.41738057706805565,0.5244585703515866,0.6575864402714001
EOS-3-35628,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cn1,QJIJUCYZYOPQPX-UHFFFAOYSA-N,3,1,0.394,7,113,433.457,2.22,5,0.377,0.62,0.93,0.26906140771708587,0.13031149338633405,0.06110787471729148,0.041455349187855525,0.12548403125214175
EOS-3-35629,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nn1,GIUBARFXZIHWJB-UHFFFAOYSA-N,3,1,0.473,65,142,445.874,3.017,5,0.363,0.61,1.0,0.6830751833321911,0.7184737166746624,0.2921578370228223,0.302480981426907,0.49904692961414565
EOS-3-35630,CCC(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4C)n23)cn1,AULCFNYOEXEZRP-UHFFFAOYSA-N,3,1,0.326,82,974,425.456,2.852,5,0.452,0.56,0.699,0.19567712973750942,0.09761154136111301,0.28133781097937083,0.19349256390925912,0.1920297614968131
EOS-3-35631,COc1cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1-c1cnnn1C,LCPMAKJLULIPCQ-UHFFFAOYSA-N,3,1,0.462,36,638,450.409,2.848,5,0.389,0.57,1.0,0.46215132615996163,0.43760708656020836,0.55041635254609,0.44854704955109315,0.4746804537043383
EOS-3-35632,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,QKNAMAJJGXQTKO-UHFFFAOYSA-N,3,1,0.536,4,32,418.848,3.214,5,0.432,0.61,1.0,0.7786991981358372,0.7969124802960729,0.3472431635939963,0.3852974436296347,0.5770380714138853
EOS-3-35633,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4Cl)n23)cc1F,WOBQVDGBFPMTDX-UHFFFAOYSA-N,3,1,0.662,23,627,425.197,5.094,4,0.428,0.75,1.0,0.9861901171955315,0.9912189020629155,0.9951939551778494,0.9987577959015832,0.9928401925844699
EOS-3-35635,COc1cc(-c2nc(C)nn2C)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,BFMWIMJQBKIZTE-UHFFFAOYSA-N,3,1,0.562,15,729,460.473,3.059,5,0.341,0.68,1.0,0.5480090466726064,0.3959461311767528,0.26262764717976833,0.1687512850387225,0.3438335275169625
EOS-3-35637,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1,MJADYCPEXXANEW-UHFFFAOYSA-N,3,1,0.311,9,867,459.517,4.502,6,0.374,0.69,1.0,0.08144575423206087,0.060002741415941335,0.16585566445068878,0.17406277842505655,0.12034173463093689
EOS-3-35638,Fc1ccc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cncc(F)n5)n34)c2)nn1,ZJXAFZCLKDFSSF-UHFFFAOYSA-N,3,1,0.36,58,88,451.372,2.472,5,0.359,0.6,0.671,0.5979799191282297,0.522616681516003,0.39968987732163663,0.42634158042629017,0.4866570145980399
EOS-3-35639,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5cnc(CO)cn5)c4)n23)c1F,IMKOCDAVPQDBBI-UHFFFAOYSA-N,3,1,0.402,2,858,444.43,2.557,5,0.421,0.57,1.0,0.5953241724350627,0.5408042629017887,0.48883729696388184,0.37576245630868343,0.5001820471523541
EOS-3-35640,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccncn4)n23)c(F)c1,FANVKJHTOYVECU-UHFFFAOYSA-N,3,1,0.506,37,79,417.408,2.137,5,0.413,0.66,1.0,0.5401617435405387,0.50002570077445,0.269806730176136,0.25469467479953395,0.3911722123226647
EOS-3-35641,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)c(F)c1,SKAQZQKWMZXSBP-UHFFFAOYSA-N,3,1,0.489,16,772,437.385,3.583,5,0.391,0.6,1.0,0.7318381193886643,0.6846943321225413,0.8635288876704817,0.8264341032143102,0.7766238605989993
EOS-3-35642,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cnn2)cn1,PVNPNSKPQNFCIY-UHFFFAOYSA-N,3,1,0.413,51,48,432.835,2.369,5,0.408,0.54,1.0,0.5044719347543006,0.5315177164005209,0.11209821122609828,0.12727023507641697,0.31883952436433416
EOS-3-35643,Cc1cc(C#N)cnc1-c1nnc2cncc(-c3nc(C4CC4)nn3Cc3nccn3C)n12,OTZXGFUJUOIHSN-UHFFFAOYSA-N,3,1,0.224,33,974,437.471,2.284,6,0.41,0.59,0.434,0.04375985196353917,0.01954115550681927,0.0023987389486669866,0.0053885957096840515,0.01777208553217737
EOS-3-35644,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)cc1-c1cnccn1,WYDNPINJASIBIE-UHFFFAOYSA-N,3,1,0.439,87,779,445.418,2.202,5,0.368,0.59,1.0,0.5638492906586252,0.5179134397916524,0.15962751010897128,0.11833493249263244,0.3399312932629703
EOS-3-35645,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)on2)c(F)n1,XPSRFKCDLDBOSL-UHFFFAOYSA-N,3,1,0.512,59,89,424.342,3.838,5,0.396,0.71,1.0,0.8442790076074292,0.8389332465218285,0.8137036529367419,0.8144832430950586,0.8278497875402646
EOS-3-35646,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(C)n2)o1,JCBQHNFEQVGELT-UHFFFAOYSA-N,3,1,0.407,51,924,451.834,2.576,5,0.376,0.58,0.847,0.5401703104653554,0.4905678157768487,0.04010177506682201,0.030352614625454046,0.27529812898362005
EOS-3-35647,FCc1cnc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)c(Cl)n1,NCXOSBYZPVHAEK-UHFFFAOYSA-N,3,1,0.412,18,720,463.864,3.178,5,0.358,0.61,1.0,0.5835446508121445,0.5362980604482215,0.16586423137550546,0.22227743129326297,0.3769960934822836
EOS-3-35648,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cccnc5F)n34)ccn2)n(C)c1C,HGLACIRZJSTCSF-UHFFFAOYSA-N,3,1,0.477,75,43,430.447,3.317,5,0.395,0.65,0.999,0.5169625111370023,0.3724299225549997,0.2022051264478103,0.15543828387362071,0.3117589610033583
EOS-3-35649,Cc1nnc(-c2cnccn2)cc1-c1cncc2nnc(-c3cccnc3-c3cccnc3)n12,AWAQANILDDRWND-UHFFFAOYSA-N,3,1,0.283,86,790,444.462,3.471,6,0.402,0.57,0.974,0.07501199369474333,0.03783153999040505,0.19876122267150984,0.2192875745322459,0.13272308272222602
EOS-3-35650,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)cn5)nc4)n23)cn1,XOUNKNMDDGRUEF-UHFFFAOYSA-N,3,1,0.56,55,283,414.404,3.065,5,0.432,0.71,1.0,0.7467531354944829,0.6996521828524432,0.45402988143376055,0.3631091083544651,0.5658860770337879
EOS-3-35651,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)nnc1-c1cccnc1,NHCWESRWMDZCHZ-UHFFFAOYSA-N,3,1,0.461,53,52,469.362,3.17,5,0.358,0.68,1.0,0.6122181481735316,0.6799396888492907,0.7823829758070043,0.6744568569666233,0.6872494174491124
EOS-3-35652,COc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(C#N)cc5)n34)o2)cc1F,HTHPBODTNKHROM-UHFFFAOYSA-N,3,1,0.436,61,574,413.372,3.528,5,0.439,0.78,1.0,0.6738743060790898,0.7548917140703173,0.7143358919882119,0.6744654238914399,0.7043918340072647
EOS-3-35653,COc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ncn3)n12,AOIWDLBDBNJDKD-UHFFFAOYSA-N,3,1,0.484,20,846,460.885,3.322,5,0.337,0.68,1.0,0.6523713247892536,0.5687495716537592,0.3996984442464533,0.3339130285792612,0.48868309231718177
EOS-3-35654,FC(F)c1ccc(Cc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nn1,ZNOKDPNHFBTKNK-UHFFFAOYSA-N,3,1,0.39,14,476,415.407,4.172,5,0.429,0.72,1.0,0.31933212254129256,0.3386933726269618,0.7248218079638133,0.7003204029881434,0.5207919265300528
EOS-3-35655,FC(F)(F)Cn1c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nnc1C(F)(F)F,HBLGXFCDGJOBTI-UHFFFAOYSA-N,3,1,0.584,68,900,477.756,4.196,4,0.401,0.72,1.0,0.7346223699540813,0.8389418134466452,0.9556147625248441,0.9317301761359742,0.8652272805153862
EOS-3-35656,COc1ncc(-c2nnc3cncc(OCCc4cn(C)nc4F)n23)cc1-c1cccc(F)c1,RHJGYOKPSOJESO-UHFFFAOYSA-N,3,1,0.538,84,657,463.448,3.495,5,0.365,0.66,1.0,0.4868840381056816,0.472688643684463,0.5471180864916729,0.47635528750599687,0.4957615139469536
EOS-3-35657,Cc1c(CCOc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)ccnc1F,NNLWVHXQVZTILW-UHFFFAOYSA-N,3,1,0.421,18,840,428.431,3.107,5,0.38,0.63,1.0,0.6433760537317524,0.5088924679597012,0.4609605236104448,0.39789939003495306,0.5027821088342129
EOS-3-35658,Cc1csc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)n1,XHYKSBVTXHAUHP-UHFFFAOYSA-N,3,1,0.457,7,69,452.45,3.925,5,0.382,0.69,1.0,0.5696833664587759,0.5890274826948119,0.38865567815776847,0.2994397231169899,0.4617015626070865
EOS-3-35659,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)ccc1F,OEAALIDAEKAEIL-UHFFFAOYSA-N,3,1,0.411,44,488,447.861,4.323,5,0.37,0.69,0.999,0.7467617024192996,0.69966074977726,0.8054023027893907,0.7970409841683229,0.7622164347885683
EOS-3-35660,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cnn1,UVCHBRHVAPNYBP-UHFFFAOYSA-N,3,1,0.264,99,719,451.429,2.64,6,0.372,0.59,0.985,0.1209821122609828,0.17664142279487355,0.2485093550818998,0.2963213624837228,0.21061356315536978
EOS-3-35661,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)ncn1,CQGKEFYSEUQXES-UHFFFAOYSA-N,3,1,0.523,4,354,453.293,3.868,5,0.399,0.6,1.0,0.5924114179973956,0.7462219861558494,0.6022890823110136,0.6599873209512713,0.6502274518538825
EOS-3-35662,Fc1cc(-c2nnc3cncc(OCc4cncc(-c5cnc(Cl)cn5)n4)n23)ccc1Cl,KUCOAYXAAXWELP-UHFFFAOYSA-N,3,1,0.517,73,212,469.267,4.063,5,0.38,0.67,1.0,0.8346497841134947,0.9544753615242273,0.7118514837913782,0.7855184702899047,0.8216237749297512
EOS-3-35663,Clc1cnc(OCc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)nc1,IQIBSNAWECTOAY-UHFFFAOYSA-N,3,1,0.351,2,767,417.82,2.666,5,0.425,0.64,1.0,0.36915735727503257,0.35822596120896444,0.23058734836543074,0.2516277157151669,0.30239959564114866
EOS-3-35664,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)cn5)n34)nc2)ccn1,NHTFDMYMBGNOAK-UHFFFAOYSA-N,3,1,0.265,86,443,449.413,2.696,6,0.37,0.57,1.0,0.21492700980056198,0.2892793502844219,0.3359947913097115,0.3726869302994997,0.3032220204235488
EOS-3-35665,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(C#N)n5C)cn4)n23)cn1,QDRCEEMXRXATSG-UHFFFAOYSA-N,3,1,0.404,31,690,437.467,2.783,5,0.398,0.58,0.941,0.5044805016791173,0.319966074977726,0.28134637790418754,0.20769652525529436,0.32837236995408126
EOS-3-35666,Cn1nccc1-c1cc(Cc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4)n23)ncn1,WUEUQUUWQOADLL-UHFFFAOYSA-N,3,1,0.309,70,719,447.466,2.425,6,0.392,0.56,1.0,0.1077547803440477,0.07142245219655953,0.172477897333973,0.15022102666027004,0.12546903913371257
EOS-3-35667,Cc1nnc(-c2cc(CF)nc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)o1,PKESEQGMIOPXTM-UHFFFAOYSA-N,3,1,0.556,19,54,465.876,4.289,5,0.35,0.71,1.0,0.5749091905969433,0.48596737715029814,0.37380063052566653,0.42002775683640603,0.46367623877732855
EOS-3-35668,Cc1nc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)ccc1-c1cncn1C,UZARTLVAZNCHNH-UHFFFAOYSA-N,3,1,0.4,31,52,449.425,3.202,5,0.389,0.58,0.867,0.39191110958810227,0.3627150298128984,0.42834624083339046,0.2994482900418066,0.3706051675690494
EOS-3-35669,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(CF)c5)n34)cn2)cc1=O,MCESHEXDJZWEMG-UHFFFAOYSA-N,3,1,0.432,55,283,444.43,2.391,5,0.392,0.58,1.0,0.40050373517922006,0.30957439517510793,0.3215166883695429,0.24555376602014942,0.31928714618600507
EOS-3-35670,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cc(Cl)cnn5)cn4)n23)nc1,SOEVVQLDPYKSTL-UHFFFAOYSA-N,3,1,0.398,33,53,474.872,2.025,5,0.387,0.58,0.999,0.44603694057980947,0.35319717634158043,0.12092214378726612,0.09630936878897951,0.2541164073744089
EOS-3-35671,Cc1nccc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c(F)c2)n1,DTNAKYZPFMZIJT-UHFFFAOYSA-N,3,1,0.617,1,996,464.407,5.09,5,0.346,0.83,1.0,0.9490439311904598,0.9733654307449798,0.9432184223151258,0.9037591666095538,0.9423467377150297
EOS-3-35672,COc1nc(-c2cccnc2F)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,YLFBTFBDAOWXOZ-UHFFFAOYSA-N,3,1,0.446,97,710,463.86,4.023,5,0.348,0.72,0.999,0.7983174559660065,0.7138561441984785,0.6258481255568501,0.5802206839832773,0.6795606024261531
EOS-3-35673,Cc1cccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ncccc5F)c4)n23)n1,VBJLRXMYAHVAHW-UHFFFAOYSA-N,3,1,0.528,24,92,447.861,4.323,5,0.37,0.67,0.999,0.6493214995545199,0.6847028990473579,0.5990593516551299,0.6012610513330136,0.6335862003975054
EOS-3-35674,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cccnc5)c4)n23)n(C)n1,XWYQZIINYJRHOP-UHFFFAOYSA-N,3,1,0.518,4,253,415.432,3.613,5,0.436,0.73,1.0,0.48433966143513124,0.5408128298266054,0.5504249194709068,0.5010879994517168,0.5191663525460901
EOS-3-35675,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n1C,JXTAIQIUOOSZNV-UHFFFAOYSA-N,3,1,0.323,30,945,444.502,4.624,6,0.394,0.69,0.999,0.09544410938249606,0.0819426358714276,0.28867966554725516,0.3241981358371599,0.19756613665958467
EOS-3-35676,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc(-c2ccc(F)cn2)n1,LISGGDDLUFBFCM-UHFFFAOYSA-N,3,1,0.441,24,786,448.849,3.718,5,0.375,0.63,1.0,0.7132050579124117,0.8701682544033994,0.47139503803714616,0.4915101775066822,0.6365696319649099
EOS-3-35677,Fc1cccc(-c2cnccc2-c2nnc3cncc(-c4ccc5cnccc5n4)n23)c1,LNHPGHRHVDIFQK-UHFFFAOYSA-N,3,1,0.33,32,20,419.423,4.603,6,0.417,0.76,1.0,0.30651600301555754,0.45533205400589405,0.7615139469536015,0.8243609074086766,0.5869307278459325
EOS-3-35678,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccnc(-c4csnn4)c3)n12,GXAJMOZIRQFDSJ-UHFFFAOYSA-N,3,1,0.473,75,241,454.878,3.514,5,0.384,0.65,1.0,0.5222911383729696,0.5890360496196285,0.3738091974504832,0.4609947913097115,0.48653279418819817
EOS-3-35679,Fc1cncc(COc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)c1F,HXXCVUQQXZMJTK-UHFFFAOYSA-N,3,1,0.4,54,511,418.367,2.896,5,0.429,0.62,1.0,0.6553783153999041,0.4726972106092797,0.6173240353642656,0.6224384894798163,0.5919595127133164
EOS-3-35680,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cn2)cn1,SWQSWNJXNCGNGO-UHFFFAOYSA-N,3,1,0.483,55,283,448.849,3.718,5,0.375,0.64,1.0,0.814371873072442,0.805496538962374,0.605424576793914,0.5674131313823589,0.6981765300527722
EOS-3-35681,Fc1ccc(Cl)cc1-c1nnc2cncc(OCc3ccc(-n4ccnc4)cc3)n12,QBFZBCKNYXZAJU-UHFFFAOYSA-N,3,1,0.518,59,146,420.835,4.349,5,0.423,0.72,1.0,0.6346035227194846,0.6603899664176547,0.9054811184977041,0.9082739359879378,0.7771871359056953
EOS-3-35682,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ncccn1,TWOOUFSHOOXDOW-UHFFFAOYSA-N,3,1,0.467,31,569,417.408,2.137,5,0.413,0.67,1.0,0.43902062915495854,0.29949112466588995,0.13203344527448427,0.1357000890960181,0.2515613220478377
EOS-3-35683,Cc1cc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5cnc(C)nc5)n34)n2)cnn1,JLRPSTOCUVXTDH-UHFFFAOYSA-N,3,1,0.286,70,392,458.489,3.779,6,0.388,0.59,0.926,0.06171612637927489,0.060011308340758004,0.21291378246864506,0.18794976355287507,0.13064774518538824
EOS-3-35684,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc(Cl)c2C)nc1,AJXZXINHVMTVQZ-UHFFFAOYSA-N,3,1,0.565,35,509,457.925,4.535,5,0.369,0.68,1.0,0.8886813789322184,0.8424885203207456,0.5024415735727503,0.4763638544308135,0.6774938318141319
EOS-3-35685,CC#Cc1cc(F)c(COc2cncc3nnc(-c4cc(-c5cccnc5)ccc4F)n23)cn1,YOQBZQWUORPUGF-UHFFFAOYSA-N,3,1,0.436,97,91,454.44,4.477,5,0.365,0.73,0.999,0.8829672400795011,0.7719141936810363,0.9131742169830718,0.8782382975807004,0.8615734870810774
EOS-3-35686,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5nc(Cl)ncc5F)n34)c2)o1,PRBWTAFPVVBYRE-UHFFFAOYSA-N,3,1,0.494,4,655,437.822,3.916,5,0.381,0.68,1.0,0.7956188746487561,0.7184822835994791,0.5131245288191351,0.48247207182509766,0.627424439723117
EOS-3-35687,Fc1ncc(-c2cc(COc3cncc4nnc(-c5cccnc5)n34)c(F)cn2)nn1,GTHVPYSEGSUHNH-UHFFFAOYSA-N,3,1,0.449,55,283,419.355,2.29,5,0.423,0.62,1.0,0.7256527996710301,0.6406175039407854,0.4321927900760743,0.4200363237612227,0.5546248543622782
EOS-3-35688,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ocnc5-c5cccc(Cl)c5)n34)cn2)no1,HQXSOBLZLCVWLZ-UHFFFAOYSA-N,3,1,0.343,42,693,456.853,4.52,6,0.376,0.69,1.0,0.25556850113083407,0.3438335275169625,0.2554314303337674,0.35954526763073125,0.3035946816530738
EOS-3-35689,Fc1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)cn1,XXKPMAXUFPWUTN-UHFFFAOYSA-N,3,1,0.408,14,676,432.409,4.916,5,0.369,0.77,1.0,0.4554348571036941,0.5982454937975464,0.9589472962785278,0.9488383249948599,0.740366493043657
EOS-3-35690,CCc1nc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1ccc(F)nc1,RKMVNSITBDGJSV-UHFFFAOYSA-N,3,1,0.354,31,662,444.474,3.571,5,0.37,0.67,0.817,0.3368086491672949,0.31997464190254266,0.2342197244876979,0.1714670002056062,0.2656175039407854
EOS-3-35691,COc1ncccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)nn1C,JFQNQROVBNUVMU-UHFFFAOYSA-N,3,1,0.416,95,602,463.889,2.66,5,0.359,0.65,0.993,0.3117932287026249,0.2687358645740525,0.08718559385922829,0.0779504489068604,0.18641628401069152
EOS-3-35692,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cn1)N1CCC(F)(F)C1,VYFLMKKXLJKFIP-UHFFFAOYSA-N,3,1,0.361,52,376,484.47,3.792,6,0.382,0.84,1.0,0.11584195737098212,0.08857343567952848,0.16921389897882255,0.340338222191762,0.1784918785552738
EOS-3-35693,Cc1nccc(OCc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)n1,BJPVBKFTEJLGAA-UHFFFAOYSA-N,3,1,0.356,85,351,416.42,3.008,5,0.435,0.66,1.0,0.5044890686039339,0.47270577753409637,0.43220135700089096,0.3307689671715441,0.43504129257761637
EOS-3-35694,Cn1cnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n1,FEPXUZWQHHUBOY-UHFFFAOYSA-N,3,1,0.412,31,658,418.396,1.532,5,0.378,0.68,0.791,0.3963573435679528,0.2946336782948393,0.064988691659242,0.06183606332670825,0.2044539442121856
EOS-3-35695,Cn1ccnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c1,YJIPAVIMVBSENP-UHFFFAOYSA-N,3,1,0.329,42,762,421.424,3.304,6,0.426,0.62,1.0,0.17882598862312385,0.08195120279624427,0.3065502707148242,0.2813977794530875,0.21218131039681998
EOS-3-35696,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c(C)n1,OVQFGAYYGLHIRB-UHFFFAOYSA-N,3,1,0.438,26,448,446.902,4.006,5,0.363,0.68,1.0,0.3919196765129189,0.42855184702899046,0.2737389486669865,0.25163628263998356,0.3364616887122199
EOS-3-35697,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3nccnc3-c3cccnc3F)n12,YKHKZVQANHYBLO-UHFFFAOYSA-N,3,1,0.291,64,27,455.388,3.639,6,0.367,0.62,0.977,0.30912891508464124,0.3199832088273593,0.485299157014598,0.5446936467685559,0.4147762319237886
EOS-3-35698,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)nn5)nc4)n23)cc1F,HRDIGPZFNOMLFW-UHFFFAOYSA-N,3,1,0.3,74,768,487.886,3.39,6,0.4,0.85,1.0,0.27686587622507025,0.319991775752176,0.24851792200671646,0.36939723116989925,0.3036932012884655
EOS-3-35699,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)nn1,NBVMBWMHRFSXPM-UHFFFAOYSA-N,3,1,0.383,74,423,409.413,2.113,5,0.476,0.76,1.0,0.10017305188129669,0.041498183811938864,0.0896871359056953,0.06340381056815846,0.07369054554177233
EOS-3-35700,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1Cl,HKYIIIHLHWQZTA-UHFFFAOYSA-N,3,1,0.551,37,589,467.32,3.91,5,0.374,0.64,1.0,0.6830837502570077,0.7369868412034816,0.4643358919882119,0.570608594338976,0.6137537694469193
EOS-3-35701,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(C#N)c(F)c4)n23)nc1,JFMMGMNQCDCXHL-UHFFFAOYSA-N,3,1,0.303,39,972,475.451,3.117,6,0.376,0.66,0.913,0.23714104585018161,0.2687444314988692,0.36973990816256597,0.40717736961140427,0.32070068878075525
EOS-3-35702,Cc1ccc(-c2nnc3cncc(COc4ccc(Cl)cn4)n23)cc1-c1cnn(C)c1,UFFKPHVCVFPWMN-UHFFFAOYSA-N,3,1,0.41,14,351,431.887,4.128,5,0.416,0.63,1.0,0.38988074840655196,0.4682766774038791,0.6527225687067371,0.5893101912137619,0.5250475464327325
EOS-3-35703,Cc1cnc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c1,QQJTYWLCJXSFFQ-UHFFFAOYSA-N,3,1,0.525,16,19,419.832,3.777,5,0.396,0.73,1.0,0.8418545678843122,0.6557038585429374,0.5131330957439517,0.4824806387499143,0.623293040230279
EOS-3-35704,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)nc(C)n2)nc1,MHICPADWZXWGJP-UHFFFAOYSA-N,3,1,0.424,7,330,461.436,3.567,5,0.374,0.61,0.999,0.4771348776643136,0.37243848947981634,0.37381776437529984,0.257710232335001,0.3702753409636077
EOS-3-35705,O=C(c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(F)cc4)n23)cc1)N1CCC(F)C1,UNNPWMVKWPWKBW-UHFFFAOYSA-N,3,1,0.396,62,376,472.455,4.436,6,0.384,0.7,1.0,0.20405558220821055,0.20294188198204371,0.23059591529024742,0.4387464875608252,0.2690849667603317
EOS-3-35706,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c1,POGLRLZIHMCTAQ-UHFFFAOYSA-N,3,1,0.659,91,660,414.444,3.952,5,0.421,0.76,1.0,0.7674765266260023,0.617341169213899,0.740276540333082,0.7087245562332944,0.7084546981015694
EOS-3-35707,Fc1cncc(COc2cncc3nnc(-c4csc(-c5cnncn5)c4)n23)c1F,BXZZZBXTUMHJSB-UHFFFAOYSA-N,3,1,0.429,55,564,424.396,2.957,5,0.424,0.62,1.0,0.664870468096772,0.5000342676992666,0.6054331437187307,0.5862432321293949,0.5891452779110411
EOS-3-35708,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccncc5)n4)n23)cn1,NRUDCKLQNBOSRE-UHFFFAOYSA-N,3,1,0.277,86,871,421.428,2.23,6,0.425,0.59,0.997,0.01555753546706874,0.02893050510588719,0.10428517579329724,0.10035295730244671,0.06228154341717497
EOS-3-35709,Cc1nccc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c2)n1,BNMLONMHXAQHSQ-UHFFFAOYSA-N,3,1,0.28,50,432,417.383,3.346,5,0.438,0.63,0.307,0.20683983277362758,0.185062709889658,0.5957953532999795,0.5377715715166884,0.3813673668699884
EOS-3-35710,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccc2F)cs1,SHYLBMLRDUVXLJ-UHFFFAOYSA-N,3,1,0.583,11,684,450.474,4.518,5,0.354,0.75,1.0,0.9213470632581728,0.8835583578918511,0.7091357686244946,0.6686741827153725,0.7956788431224727
EOS-3-35711,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cc(F)ncn5)ncn4)n23)cc1F,MMGUBQPCINNBID-UHFFFAOYSA-N,3,1,0.473,7,354,433.382,2.599,5,0.386,0.59,1.0,0.6830923171818244,0.6748680693578233,0.44679082996367625,0.38530601055445135,0.5475143067644438
EOS-3-35712,Cc1nncc(-c2ccc(F)c(COc3cncc4nnc(-c5ccccc5F)n34)c2)c1C,SNVBTOWNGYNIOW-UHFFFAOYSA-N,3,1,0.506,43,521,444.445,4.722,5,0.39,0.7,1.0,0.7287197587553972,0.771922760605853,0.8418031663354122,0.809908505242958,0.7880885477349051
EOS-3-35713,Fc1ncc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)c(F)c1F,QBJCFSVWVFEHFM-UHFFFAOYSA-N,3,1,0.407,97,153,434.381,4.245,5,0.385,0.66,1.0,0.8442875745322459,0.7138647111232952,0.9044359536700706,0.897642382290453,0.8400576554040162
EOS-3-35714,Cc1cnc(-c2cccnc2F)cc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,KSXNAPJZARVIIU-UHFFFAOYSA-N,3,1,0.444,58,132,462.876,3.761,5,0.351,0.66,0.781,0.7008772531012268,0.7230912891508464,0.4135340278253718,0.4420875882393256,0.5698975395791928
EOS-3-35715,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5nnnn5C)cc4Cl)n23)nc1,PQZVXUQJTOXJNI-UHFFFAOYSA-N,3,1,0.294,99,286,471.876,1.888,6,0.373,0.59,1.0,0.10294873552189705,0.207627989856761,0.035955383455554796,0.07228771160304297,0.10470495510931395
EOS-3-35716,Cn1c(-c2ncccc2Cl)nnc1-c1cncc2nnc(-c3cccnc3-c3cncnc3)n12,JYPKBDFYGINJTF-UHFFFAOYSA-N,3,1,0.313,94,754,467.884,3.154,6,0.384,0.61,0.999,0.06343807826742512,0.19838427797957645,0.06699335206634227,0.16093824960592146,0.12243848947981632
EOS-3-35717,N#CCc1cc(-c2nnc3cncc(OCc4ncnn4CCO)n23)ccc1OC(F)F,JZGWTIOFJQAWLZ-UHFFFAOYSA-N,3,1,0.485,68,12,442.386,1.622,4,0.41,0.58,1.0,0.37839250222740045,0.28405352614625456,0.4283548077582071,0.38531457747926806,0.3690288534027826
EOS-3-35718,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)c2)cn1,UQHQVQKSSVMIOT-UHFFFAOYSA-N,3,1,0.58,11,426,460.9,4.971,5,0.356,0.77,1.0,0.8512953190322802,0.9216469056267562,0.8282931258995271,0.8243694743334933,0.8564012062230142
EOS-3-35719,Cc1nc(-c2cnccn2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,MUWPQXBECGCBPA-UHFFFAOYSA-N,3,1,0.426,18,330,445.874,3.017,5,0.363,0.6,1.0,0.6346120896443013,0.5598142690699747,0.1987697895963265,0.21929614145706258,0.4031230724419163
EOS-3-35720,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4Cl)n23)cc1,UNSSSAORMXPREY-UHFFFAOYSA-N,3,1,0.342,9,340,471.937,4.426,6,0.375,0.75,1.0,0.10295730244671372,0.2029504489068604,0.46096909053526147,0.5377801384415051,0.3261642450825852
EOS-3-35721,OCC#Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)cn1,HAXLMEKCCVEDNQ-UHFFFAOYSA-N,3,1,0.466,7,99,442.464,2.023,5,0.407,0.59,1.0,0.3984219724487698,0.38659104927695154,0.23060448221506408,0.1582396682886711,0.29346429305736416
EOS-3-35722,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ncn2)o1,JXQRBVACBRDKKB-UHFFFAOYSA-N,3,1,0.415,44,488,439.357,3.541,5,0.383,0.62,0.789,0.7581985470495511,0.6406260708656021,0.7973151257624563,0.732951819614831,0.7322728908231101
EOS-3-35723,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5nncs5)c4)n23)cc1F,ZTIHQONLSFAHET-UHFFFAOYSA-N,3,1,0.529,4,712,423.408,3.562,5,0.427,0.64,1.0,0.5979884860530464,0.6125351243917483,0.6441385100404359,0.6310996504694675,0.6214404427386745
EOS-3-35724,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cn4)n23)n1,XWOIHPHIAQHSIR-UHFFFAOYSA-N,3,1,0.269,76,601,468.872,2.549,6,0.379,0.59,0.707,0.08825645946131176,0.15644918100198751,0.06700191899115894,0.1230039065177164,0.10867786649304365
EOS-3-35725,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1,RAHVUBXDYKUVCL-UHFFFAOYSA-N,3,1,0.303,38,179,459.517,4.502,6,0.374,0.7,1.0,0.039467822630388595,0.041506750736755534,0.14413851004043587,0.16603556987183882,0.09778716331985471
EOS-3-35726,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cn[nH]c5)n4)n23)cc1,KGMNXCMDFWZIBH-UHFFFAOYSA-N,3,1,0.479,89,731,413.401,1.649,5,0.426,0.74,1.0,0.5069220752518676,0.26350147351106845,0.15963607703378796,0.09044102528956206,0.2551251627715715
EOS-3-35727,COc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cscn1,DHHVXNRARPWHJZ-UHFFFAOYSA-N,3,1,0.438,49,116,432.469,2.73,5,0.383,0.61,0.997,0.3784010691522171,0.2076365567815777,0.07119971215132616,0.043862655061339184,0.17527499828661502
EOS-3-35728,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCc4ccns4)n23)n1,BLUJJGILCZRUHZ-UHFFFAOYSA-N,3,1,0.409,46,62,420.433,3.126,5,0.427,0.65,1.0,0.5143581659927352,0.45064594613117676,0.2094441779178946,0.21667466246316222,0.34778073812624216
EOS-3-35729,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)nc(C)n1,VMBQPXKPJJLXSP-UHFFFAOYSA-N,3,1,0.523,58,981,458.913,3.93,5,0.352,0.68,1.0,0.7613511753820849,0.855296072921664,0.3287471729148105,0.29041018436022203,0.5589511513946954
EOS-3-35730,Fc1cncc(COc2cncc3nnc(-c4cncc(-c5cnc(Cl)nc5)c4)n23)c1F,OIPXALWNHYUHJD-UHFFFAOYSA-N,3,1,0.448,2,419,452.812,3.549,5,0.373,0.64,1.0,0.837322664656295,0.8055051058871907,0.8370656569117949,0.8224076485504763,0.8255752690014393
EOS-3-35731,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nc(-c5nncs5)n[nH]4)n23)cc1,RUYZGCYWJOWSKU-UHFFFAOYSA-N,3,1,0.294,39,972,443.431,2.691,6,0.436,0.54,0.108,0.2289767664998972,0.3246521828524433,0.047786306627373036,0.12067370296758276,0.18052223973682407
EOS-3-35732,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cn2)n1,XXRCEUIIDPTZEJ-UHFFFAOYSA-N,3,1,0.333,50,261,411.816,3.23,5,0.444,0.75,1.0,0.30398019326982384,0.4682852443286958,0.4032108834212871,0.482489205674731,0.4144913816736344
EOS-3-35733,Fc1c(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)ccnc1Cl,PIZGULIKCAXNQZ-UHFFFAOYSA-N,3,1,0.552,75,496,447.861,4.057,5,0.362,0.66,1.0,0.8397471043794119,0.8917826057158522,0.7275546569803304,0.7356247001576314,0.7986772668083065
EOS-3-35734,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ncc(C)n5C)cn4)n23)cn1,AXSKYENUNLSRAV-UHFFFAOYSA-N,3,1,0.299,86,812,460.505,3.723,6,0.391,0.6,1.0,0.10296586937153039,0.06767013912685903,0.12917209238571722,0.102537523130697,0.10058640600370092
EOS-3-35735,Fc1ccccc1-n1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,QPHUIJBZTAYCTD-UHFFFAOYSA-N,3,1,0.427,67,611,454.429,2.875,6,0.407,0.57,1.0,0.5194640531834692,0.472714344458913,0.2849102186279213,0.30248954835172365,0.3948945411555068
EOS-3-35736,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,ZDROLWPYAKXUKF-UHFFFAOYSA-N,3,1,0.516,37,265,464.436,2.89,5,0.362,0.63,1.0,0.4819323555616476,0.39595469810156947,0.5830991707216777,0.47345966691796315,0.4836114728257145
EOS-3-35737,Cc1noc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)n1,HZZPDCGBZPDYNK-UHFFFAOYSA-N,3,1,0.449,2,422,420.82,3.172,5,0.422,0.68,1.0,0.5778133781097937,0.5089010348845179,0.29941402234253994,0.30905181276129123,0.42379506202453565
EOS-3-35738,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncn(-c4cccc(Cl)c4)n3)n12,KPGHCBIJQOGECX-UHFFFAOYSA-N,3,1,0.511,34,612,456.268,4.397,5,0.39,0.69,1.0,0.48194092248646425,0.7091614693989445,0.7477897333972997,0.8616270303611816,0.7001297889109726
EOS-3-35739,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnc4F)n23)cn1,CMZUQCQEEISVGJ-UHFFFAOYSA-N,3,1,0.521,65,981,464.892,3.704,5,0.353,0.71,1.0,0.5864574052498115,0.6361969707353848,0.46434445891302856,0.43875505448564184,0.5314384723459666
EOS-3-35740,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)c(Cl)c1,DHNDBGYZPQMMIK-UHFFFAOYSA-N,3,1,0.54,26,161,466.332,4.515,5,0.366,0.71,1.0,0.7728822561853197,0.7230998560756631,0.7731649647042698,0.8057192790076074,0.768716588993215
EOS-3-35741,Cc1cc(COc2cncc3nnc(-c4cc(-c5cncc(Cl)n5)ncn4)n23)n(C)n1,AGNDLZQEEPGAIH-UHFFFAOYSA-N,3,1,0.364,31,296,434.851,2.313,5,0.41,0.59,0.435,0.2988314714550065,0.25810431087656777,0.08969570283051195,0.08668871221986156,0.18333004934548694
EOS-3-35742,COc1nc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1ccccn1,GALAXRYXBRJAEB-UHFFFAOYSA-N,3,1,0.457,49,501,461.432,3.552,5,0.363,0.63,0.967,0.7132136248372284,0.5598228359947913,0.45036323761222674,0.3947895963265026,0.5295473236926873
EOS-3-35743,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)cnc5F)n34)cn2)cs1,YOJBMHBYFPEQKO-UHFFFAOYSA-N,3,1,0.466,55,786,453.89,4.385,5,0.364,0.77,1.0,0.7728908231101363,0.7931173326022891,0.5539030909464738,0.5447022136933726,0.666153365088068
EOS-3-35744,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cn2)cc1,ZPVWFLZXGWGUPN-UHFFFAOYSA-N,3,1,0.352,9,553,417.436,3.7,6,0.466,0.64,1.0,0.15151463230758686,0.1303200603111507,0.35495339592899733,0.38874991433075184,0.25638450071962166
EOS-3-35745,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(F)cn5)n34)cc(Cl)n2)[nH]n1,VLMWEOIHDIALKK-UHFFFAOYSA-N,3,1,0.419,51,196,437.826,3.046,5,0.416,0.55,0.997,0.5506647933657735,0.5840758001507779,0.34329381125351244,0.35955383455554796,0.45939705983140294
EOS-3-35746,COc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1-c1ncccn1,UQBOHGKPCBLKBB-UHFFFAOYSA-N,3,1,0.495,16,242,463.86,4.023,5,0.372,0.65,1.0,0.9239771091768899,0.8285758344184772,0.7402851072578988,0.6686827496401891,0.7903802001233637
EOS-3-35747,Cc1cnc(-c2ccnc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)cc1F,QFDWSNAUGWGGST-UHFFFAOYSA-N,3,1,0.368,46,181,433.834,4.537,5,0.411,0.64,1.0,0.6433846206565691,0.5982540607223631,0.6911709272839421,0.6919676512918923,0.6561943149886916
EOS-3-35748,Cc1cc(Cl)ccc1-c1nnc2cncc(Oc3ccc(-c4nnco4)cc3F)n12,PUYJGWPVNYGIAO-UHFFFAOYSA-N,3,1,0.453,13,145,422.807,4.735,5,0.413,0.71,1.0,0.8169162497429923,0.870176821328216,0.8263227331916935,0.8284130628469605,0.8354572167774655
EOS-3-35749,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)nn1C,USUYGGGWUOQFNJ-UHFFFAOYSA-N,3,1,0.425,51,48,434.851,2.313,5,0.41,0.58,1.0,0.39424988006305256,0.3865996162017682,0.04304023027893907,0.04660407100267288,0.21762344938660816
EOS-3-35750,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCc4cc(F)cc(C#N)c4F)n23)c1,ODVKXHXQEIHNNH-UHFFFAOYSA-N,3,1,0.451,2,908,459.42,3.194,5,0.38,0.62,1.0,0.4942344595983826,0.4464395860461929,0.6638852717428552,0.6340638064560346,0.5596557809608663
EOS-3-35752,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)c(F)c1F,UBEHQNLBRLSLBR-UHFFFAOYSA-N,3,1,0.536,57,962,433.393,4.85,5,0.371,0.75,1.0,0.9070488657391542,0.8917911726406689,0.972662942910013,0.9680368035090124,0.9348849461997121
EOS-3-35753,N#Cc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccnc(F)c4)n23)cc1,QXCHDKSVVOHMRG-UHFFFAOYSA-N,3,1,0.489,89,731,424.399,3.233,5,0.395,0.63,1.0,0.8904718662189021,0.8671612637927489,0.6554639846480708,0.6399749845795353,0.7632680248098143
EOS-3-35754,N#Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1F,DEEXGKQITBNGLA-UHFFFAOYSA-N,3,1,0.557,11,409,443.467,3.942,5,0.392,0.63,1.0,0.9552292509080941,0.9350027414159413,0.6719638818449729,0.622447056404633,0.7961607326434104
EOS-3-35755,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)cs1,NNNZPSWGTFBYSG-UHFFFAOYSA-N,3,1,0.583,11,684,448.939,4.893,5,0.368,0.75,1.0,0.8866338839010349,0.9010006168185868,0.49535672674936604,0.4977383318483997,0.6951823898293469
EOS-3-35756,Fc1nc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccc1-c1ccco1,OJADTYDYZJGMGQ-UHFFFAOYSA-N,3,1,0.534,96,121,423.354,4.854,5,0.376,0.82,1.0,0.6493300664793366,0.7761719553149201,0.9522736618463437,0.9411280926598589,0.8297259440751148
EOS-3-35757,COc1nc(-c2nnc3cncc(OCCc4cncc(F)n4)n23)ccc1-c1ncccc1F,HVKFRJHGMNJLMT-UHFFFAOYSA-N,3,1,0.404,49,501,462.42,2.947,5,0.36,0.63,0.887,0.6771297375094236,0.5271228839695703,0.2776797340826537,0.2485607566307998,0.43262327804811185
EOS-3-35758,O=c1[nH]cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccc(F)cn1,CYZCZTYRTYMUIT-UHFFFAOYSA-N,3,1,0.484,11,141,463.86,3.351,5,0.411,0.65,0.997,0.5069306421766843,0.3959632650263861,0.5990679185799466,0.6515060653827702,0.5383669727914469
EOS-3-35759,Clc1ncccc1COc1cncc2nnc(-c3ccc(-c4ccnnc4)nc3)n12,ZRZNSCVHUQPRNF-UHFFFAOYSA-N,3,1,0.455,55,875,416.832,3.271,5,0.402,0.72,1.0,0.7008858200260435,0.7138732780481118,0.5369148790350216,0.547734905078473,0.6248522205469125
EOS-3-35760,Cc1ccc(-c2nnc3cncc(-c4cccnc4OC4CCC(F)(F)CC4)n23)cn1,CVKVGVVPQUMBAP-UHFFFAOYSA-N,3,1,0.357,78,169,422.439,4.513,5,0.481,0.65,1.0,0.5094493180727846,0.5408213967514222,0.3777157151668837,0.5179648413405524,0.48648781783291073
EOS-3-35761,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cn2)n1,CGQCCTJCQDVOSQ-UHFFFAOYSA-N,3,1,0.466,55,283,420.383,2.839,5,0.404,0.65,1.0,0.6433931875813858,0.5134158042629018,0.6083287643067644,0.5212374066205195,0.5715937906928928
EOS-3-35762,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)nc1,BMOIWLNRNKKICR-UHFFFAOYSA-N,3,1,0.25,99,286,424.392,0.414,6,0.386,0.6,0.983,0.0018161880611335755,0.014966417654718662,0.005208690288534028,0.004069289287917209,0.006515146323075869
EOS-3-35763,COc1ccc(-c2cnccn2)cc1-c1nnc2cncc(OCCc3ccnc(C)c3F)n12,JPVPHZSMTOIUTD-UHFFFAOYSA-N,3,1,0.511,35,846,457.469,3.721,5,0.365,0.64,1.0,0.6553868823247208,0.5315262833253376,0.5670875882393256,0.4136882324720718,0.5419222465903639
EOS-3-35764,Cc1nsc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)nc5C)c4)n23)n1,BEUFNYZLQIECJD-UHFFFAOYSA-N,3,1,0.448,7,567,431.485,2.999,5,0.414,0.59,1.0,0.22898533342471386,0.22800013707079705,0.026326159961620178,0.012996024946885067,0.12407691385100404
EOS-3-35765,Fc1cnc(F)c(-c2ccc(-c3cncc4nnc(-c5ncncc5-c5cccnc5)n34)cc2)c1,LSLIMTZFBSAXDW-UHFFFAOYSA-N,3,1,0.264,42,171,464.439,4.651,6,0.351,0.77,0.999,0.3437564251936125,0.33363888698512784,0.8097114659721746,0.8345641148653279,0.5804177232540607
EOS-3-35766,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c(F)c2)cn1,KFNXKRCTWSJBSC-UHFFFAOYSA-N,3,1,0.5,37,846,461.888,4.366,5,0.371,0.68,1.0,0.8773644712494003,0.9161726406689055,0.6054417106435473,0.6371307655404016,0.7590273970255638
EOS-3-35767,Fc1ccnnc1-c1cc(COc2cncc3nnc(-c4cnccn4)n23)nc(Cl)n1,IHIWEWRZISPHRC-UHFFFAOYSA-N,3,1,0.394,7,828,436.798,2.2,5,0.378,0.59,0.68,0.5696919333835926,0.5408299636762388,0.16587279830032212,0.22829997943938043,0.3761736686998835
EOS-3-35768,Fc1ccc(-c2ccccc2)cc1-c1nnc2cncc(OCCc3cnc(Cl)cn3)n12,BSVDNXWWWIIDHI-UHFFFAOYSA-N,3,1,0.573,11,275,446.873,4.662,5,0.377,0.7,1.0,0.8535141525597971,0.9234716606127065,0.7353162908642313,0.8035604139538072,0.8289656294976355
EOS-3-35769,Fc1cc(-c2nccs2)cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,MFMVWPXDCKCLGQ-UHFFFAOYSA-N,3,1,0.506,97,439,438.875,4.681,5,0.371,0.74,1.0,0.683100884106641,0.7091700363237612,0.782391542731821,0.7992341169213899,0.7434741450209033
EOS-3-35770,OCc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)n5)c(F)c4)n23)nc1,JDLIULQKVXTVNK-UHFFFAOYSA-N,3,1,0.43,46,348,463.86,3.507,5,0.381,0.66,1.0,0.7843019669659379,0.6945891302857926,0.6719724487697896,0.659995887876088,0.7027148584744021
EOS-3-35771,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ncc1-c1ccccn1,YWISXMDSGJEGFY-UHFFFAOYSA-N,3,1,0.586,11,159,458.909,4.532,5,0.354,0.69,1.0,0.7404907134534987,0.6310396819957508,0.6232352134877664,0.6012696182578302,0.6490088067987115
EOS-3-35772,O=C(c1ccc(-c2cncc3nnc(-c4nccc(-c5cccc(Cl)c5)n4)n23)nc1)N1CCCC1,RHSLHDSQZGQOAV-UHFFFAOYSA-N,3,1,0.301,52,821,482.935,4.2,6,0.378,0.81,0.664,0.032597148927421014,0.06408916455349188,0.007615996162017682,0.0797837708176273,0.046021520115139464
EOS-3-35773,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)nc(C)n2)cn1,PBCMBPKISUNLHP-UHFFFAOYSA-N,3,1,0.413,31,330,430.497,3.338,5,0.404,0.6,1.0,0.457602289082311,0.22800870399561374,0.08218250976629429,0.060473922280858065,0.20706685628126925
EOS-3-35774,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cc5Cl)n34)cn2)cn1,QMVYSAKOBJNICY-UHFFFAOYSA-N,3,1,0.317,42,714,467.924,4.308,6,0.383,0.69,1.0,0.13762764717976836,0.26351004043588516,0.6232437804125831,0.6075748749228976,0.4079890857377836
EOS-3-35775,COCc1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cn1,XISSYVSFRBNYSA-UHFFFAOYSA-N,3,1,0.37,82,856,413.416,3.596,5,0.435,0.73,1.0,0.4367246933040916,0.437615653485025,0.5737526557466932,0.5244671372764033,0.49314003495305325
EOS-3-35776,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnco6)n5)n34)cn2)nn1,VZRSULJVFJDNCK-UHFFFAOYSA-N,3,1,0.462,28,218,467.424,3.411,6,0.359,0.63,1.0,0.6007384689191968,0.5226252484408197,0.35856863820163115,0.31526283325337534,0.44929879720375576
EOS-3-35777,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6F)n5)n34)nc2)nn1,MUNABSTXCVUGHX-UHFFFAOYSA-N,3,1,0.269,99,286,441.394,1.159,6,0.366,0.59,0.662,0.0013792748954835172,0.09463025152491261,0.026334726886436843,0.03765163456925502,0.039998971969021996
EOS-3-35778,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)c(F)o2)n1C,XYBISZIJJWNPFU-UHFFFAOYSA-N,3,1,0.557,31,24,424.461,3.915,5,0.411,0.68,1.0,0.5376602014940717,0.3866081831265849,0.26981529710095264,0.21930470838187924,0.3533470975258721
EOS-3-35779,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cn2)c1,DXXGVVNSXXSEAJ-UHFFFAOYSA-N,3,1,0.329,3,668,439.866,4.952,6,0.386,0.74,1.0,0.054631279555890616,0.1850712768144747,0.7567935713796176,0.8099170721677746,0.4516032999794394
EOS-3-35780,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)nc5)n34)cn2)n1,ZXHVSPZHUGGJLS-UHFFFAOYSA-N,3,1,0.299,70,790,422.408,3.867,6,0.417,0.64,1.0,0.25843842094441777,0.14478959632650265,0.24128743746144884,0.23708107737646494,0.22039913302720854
EOS-3-35781,Cc1cnc(Cl)c(-c2ncc(-c3nnc4cncc(-c5cn(C6CC6)nc5C)n34)cn2)c1,FQCLESNEQOZDPU-UHFFFAOYSA-N,3,1,0.292,50,489,443.902,4.112,6,0.385,0.66,0.997,0.05137584812555685,0.11986841203481598,0.05544513741347406,0.1404375985196354,0.09178174902337058
EOS-3-35782,c1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnon6)cs5)n34)cn2)cn1,DJDZGEYRFPQZAN-UHFFFAOYSA-N,3,1,0.309,86,513,426.425,2.817,6,0.414,0.61,1.0,0.1054931121924474,0.1303286272359674,0.11510520183674867,0.14044616544445207,0.12284327667740388
EOS-3-35783,O=C(c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)cc1)N1CCCC1,FJNZCAOGMFFUOB-UHFFFAOYSA-N,3,1,0.414,0,175,489.486,3.18,6,0.437,0.85,0.999,0.16513604276608868,0.1447981632513193,0.005217257213350696,0.04015317661572202,0.08882615996162017
EOS-3-35784,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cnn1,HMCULWCHPSERDY-UHFFFAOYSA-N,3,1,0.467,87,838,453.89,4.119,5,0.382,0.66,1.0,0.7643752998423686,0.7931258995271058,0.6054502775683641,0.6515146323075869,0.7036165273113564
EOS-3-35785,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncs5)ccc4Cl)n23)cc1,XUZNDULZUAAOKY-UHFFFAOYSA-N,3,1,0.529,1,230,476.949,4.507,5,0.387,0.78,1.0,0.7467702693441163,0.5734356795284764,0.6802309642930574,0.5924713864711123,0.6482270749091905
EOS-3-35786,COc1cc(-c2cncnc2)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,JLLOAFUZHFLPFK-UHFFFAOYSA-N,3,1,0.358,42,762,460.501,4.324,6,0.378,0.67,1.0,0.2040641491330272,0.02893907203070386,0.620305325200466,0.5010965663765334,0.3386012781851826
EOS-3-35787,Fc1ccc(-c2nnc3cncc(OCCc4cncs4)n23)cc1-c1ccccn1,LBEFQBAZGWESFE-UHFFFAOYSA-N,3,1,0.578,11,595,418.457,4.07,5,0.414,0.73,1.0,0.8866424508258516,0.852331916935097,0.5302155438283873,0.5544085395106573,0.7058996127749984
EOS-3-35788,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)c1,NGULEFSSEUZTBN-UHFFFAOYSA-N,3,1,0.453,2,36,467.32,4.176,5,0.383,0.72,1.0,0.4046929614145706,0.4241998492221232,0.6258566924816668,0.642870605167569,0.5244050270714824
EOS-3-35789,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccn1,KGLAQAJLHOQQMX-UHFFFAOYSA-N,3,1,0.534,75,265,465.851,4.196,5,0.371,0.67,0.999,0.9252535809745733,0.8671698307175656,0.7886368309231718,0.8166335412240422,0.8494234459598382
EOS-3-35790,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)cc1F,ZRKQWHGURFSEDO-UHFFFAOYSA-N,3,1,0.517,11,132,465.851,4.196,5,0.371,0.66,1.0,0.9186570488657392,0.9216554725515729,0.7754180659310533,0.8205057912411761,0.8590590946473853
EOS-3-35791,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)cn4)n23)nc1,CLCJRYLWEDPZHZ-UHFFFAOYSA-N,3,1,0.274,39,114,467.884,3.154,6,0.384,0.6,0.987,0.16239462682475497,0.24330066479336576,0.12093071071208279,0.19878692344595983,0.18135323144404084
EOS-3-35792,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ccc1Cl,UNIDFHLRQMWLEG-UHFFFAOYSA-N,3,1,0.54,26,265,467.867,4.14,5,0.373,0.65,1.0,0.8974796107189363,0.8863768761565348,0.8692173257487492,0.8679237201014324,0.8802493831814132
EOS-3-35793,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)nn1,IYVVWAGYHOOFCI-UHFFFAOYSA-N,3,1,0.275,38,725,418.424,3.095,6,0.463,0.62,1.0,0.12381776437529984,0.10407956959769721,0.3886642450825852,0.3979079569597697,0.253617384003838
EOS-3-35794,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cc5)n34)nc2)nc1,NLPBRTIQGYLSIG-UHFFFAOYSA-N,3,1,0.25,42,339,418.424,3.095,6,0.463,0.62,1.0,0.06920361866904257,0.07143101912137619,0.29216640394763893,0.3120331025974916,0.18620853608388732
EOS-3-35795,Cc1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(CO)cn5)n34)n2)n1,OKNVGMUHMNHKSS-UHFFFAOYSA-N,3,1,0.446,7,53,426.44,2.418,5,0.436,0.56,1.0,0.4298711534507573,0.2840620930710712,0.23061304913988076,0.15824823521348777,0.2756986327187993
EOS-3-35796,COc1cnc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)cc1F,AFWBLTUYPISFOH-UHFFFAOYSA-N,3,1,0.449,18,194,444.43,2.808,5,0.374,0.59,0.994,0.6317421698307175,0.5226338153656364,0.36590192584469877,0.27550373517922006,0.4489454115550681
EOS-3-35797,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnc5)nc4)n23)cc1,KUBBXVOZTSJQGH-UHFFFAOYSA-N,3,1,0.325,64,885,462.904,5.026,6,0.362,0.79,1.0,0.2506425193612501,0.3387019395517785,0.5926170241929957,0.70032896991296,0.4705726132547461
EOS-3-35798,Cn1nnc(-c2nc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccc2F)n1,BHTSRPJPAAMCGC-UHFFFAOYSA-N,3,1,0.385,53,105,439.802,1.538,5,0.396,0.56,1.0,0.37840963607703376,0.4285604139538071,0.03716331985470495,0.07620279624426016,0.23008404153245152
EOS-3-35799,Clc1ccc(-c2nnc3cncc(-c4nnn(-c5cc(Cl)ccc5-n5cccn5)n4)n23)cc1,MESAILUWCOCBNB-UHFFFAOYSA-N,3,1,0.375,3,990,475.303,3.927,6,0.381,0.68,1.0,0.09787711603042971,0.4104413679665547,0.3433023781783291,0.5893187581385786,0.360234905078473
EOS-3-35800,COc1ncccc1-c1nnc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)n1C,JMLDUUZLOBUUAV-UHFFFAOYSA-N,3,1,0.277,64,854,462.477,3.114,6,0.38,0.61,0.95,0.10776334726886437,0.05230964293057364,0.03195462956617093,0.038928106366938525,0.05773893153313687
EOS-3-35801,Cc1ccnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(F)n4)n23)nc1,IYZFRLKOOJFNTA-UHFFFAOYSA-N,3,1,0.398,58,814,446.421,3.246,5,0.366,0.62,0.113,0.713222191762045,0.6847114659721746,0.43585086697279146,0.4168065931053389,0.5626477794530875
EOS-3-35802,NC(=O)c1ccc(-c2nnc3cncc(Cc4cncc(-c5cncnn5)c4)n23)cc1,XVPLFCHREKUBTQ-UHFFFAOYSA-N,3,1,0.361,85,357,409.413,1.728,5,0.463,0.74,1.0,0.10777191419368104,0.01641422794873552,0.24852648893153315,0.18519978068672469,0.1394781029401686
EOS-3-35803,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4F)n23)n1,HLUBAUXBBYBPCV-UHFFFAOYSA-N,3,1,0.458,65,262,447.409,2.641,5,0.362,0.63,1.0,0.8373312315811117,0.7931344664519224,0.1853625522582414,0.17672709204304024,0.4981388355835789
EOS-3-35804,C#Cc1ncc(COc2cncc3nnc(-c4cc(-c5ncccn5)n(C)n4)n23)nc1F,LDFVQWVMHQNHGS-UHFFFAOYSA-N,3,1,0.385,7,828,428.391,1.471,5,0.383,0.61,1.0,0.3091374820094579,0.26875299842368583,0.06303543280104174,0.05314063463779042,0.17351663696799396
EOS-3-35805,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cc(F)c(F)c(F)c5)nc4C)n23)no1,DIECAMOVECPNDU-UHFFFAOYSA-N,3,1,0.506,59,71,452.396,4.454,5,0.364,0.76,0.989,0.6493386334041532,0.6651703104653554,0.7996538962374066,0.7433263655678157,0.7143723014186827
EOS-3-35806,Cc1nnc(-c2ncnc(F)c2C)cc1COc1cncc2nnc(-c3ccc(F)cn3)n12,PVAUXIGVMKEHPM-UHFFFAOYSA-N,3,1,0.36,46,915,447.409,2.907,5,0.375,0.57,0.999,0.5924199849222124,0.5363066273730381,0.2412960043862655,0.2370896443012816,0.40177806524569937
EOS-3-35807,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)cc1F,LEPXQCUQBSVKRP-UHFFFAOYSA-N,3,1,0.612,13,284,436.809,4.972,5,0.37,0.75,1.0,0.9052840792269207,0.9140566102391885,0.9439037763004592,0.9515026386128436,0.928686776094853
EOS-3-35808,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)s1,RBJHWSGTRMFEOD-UHFFFAOYSA-N,3,1,0.573,75,43,435.9,4.246,5,0.407,0.65,1.0,0.4460455075046261,0.5641234322527585,0.3960489342745528,0.41043280104173807,0.4541626687684188
EOS-3-35809,COc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)ccc1-c1ccccn1,FMDPJVGNRXUZDI-UHFFFAOYSA-N,3,1,0.54,72,61,461.432,4.169,5,0.356,0.69,1.0,0.6289579192653005,0.5641319991775752,0.72483037488863,0.5706171612637927,0.6221343636488246
EOS-3-35810,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ncn1,MPUARJFKBAYCMF-UHFFFAOYSA-N,3,1,0.392,46,864,434.41,3.322,5,0.404,0.57,0.68,0.5119251593448015,0.38211911452265096,0.5831077376464944,0.5577839078884244,0.5087339798505928
EOS-3-35811,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)cn4)n23)nc1,UVHIDJIXYZENEU-UHFFFAOYSA-N,3,1,0.386,33,828,466.425,0.661,5,0.331,0.63,1.0,0.38988931533136867,0.11987697895963265,0.0670104859159756,0.036529367418271536,0.1533265369063121
EOS-3-35812,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)nc1,BVPPJBJWIZVJRH-UHFFFAOYSA-N,3,1,0.444,87,307,466.839,3.591,5,0.374,0.64,1.0,0.7525872112946337,0.7969210472208896,0.6022976492358303,0.6686913165650058,0.7051243060790898
EOS-3-35813,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccnc(F)c5)n4)n23)nc1,RJYFFCLQEPNZIP-UHFFFAOYSA-N,3,1,0.259,99,871,439.418,2.369,6,0.384,0.55,0.991,0.007016311424850936,0.10757487492289768,0.19877835652114317,0.20487800699061065,0.12956188746487562
EOS-3-35814,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nccnc5F)nc4)n23)cn1,LIHCDTIGUPUIPA-UHFFFAOYSA-N,3,1,0.303,86,790,462.452,3.61,6,0.387,0.58,0.992,0.24796963881844972,0.34384209444177916,0.26622575560276884,0.2695582893564526,0.2818989445548626
EOS-3-35815,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)ncn2)cc1Cl,HJAJWEJQPYASQV-UHFFFAOYSA-N,3,1,0.522,44,130,453.89,4.119,5,0.382,0.69,0.984,0.7287283256802138,0.7091786032485778,0.47818004249194707,0.5737526557466932,0.6224599067918579
EOS-3-35816,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ncn2)c(F)c1,OVPBHDHMYDOTII-UHFFFAOYSA-N,3,1,0.448,44,130,466.839,3.591,5,0.374,0.62,0.807,0.7700723048454526,0.7631930642176684,0.5958039202247961,0.6863049139880748,0.703843550818998
EOS-3-35817,COc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ccc(F)nc4)ccn3)n12,HMTXOQLHPNSMQB-UHFFFAOYSA-N,3,1,0.43,97,157,462.872,4.628,5,0.34,0.76,1.0,0.7318466863134809,0.6897488177643754,0.864942430265232,0.8243780412583099,0.7777289939003496
EOS-3-35818,Fc1cccc(-c2cc(-c3cncc4nnc(-c5cc(F)ccc5Cl)n34)ncn2)c1,DLOUZNVNELXNNS-UHFFFAOYSA-N,3,1,0.392,45,730,420.81,4.847,5,0.417,0.74,1.0,0.34851106846686314,0.559831402919608,0.9328181755876911,0.9627767116715784,0.7009843396614351
EOS-3-35819,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)n(C)n1,GEGCLXRJOZADGS-UHFFFAOYSA-N,3,1,0.483,24,486,416.42,3.008,5,0.435,0.69,1.0,0.459872524158728,0.40112912069083684,0.3140291960797752,0.26070865602083476,0.35893487423754367
EOS-3-35820,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)nn1,SAMMELOTZATDNO-UHFFFAOYSA-N,3,1,0.478,37,563,468.855,3.535,5,0.376,0.64,1.0,0.592428551847029,0.5788328421629771,0.6855767253786581,0.7167603317113289,0.6433996127749984
EOS-3-35821,COc1nc(-c2ccnc(CF)c2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,FJCSVQZQCNVNQI-UHFFFAOYSA-N,3,1,0.495,35,710,457.469,3.743,5,0.347,0.66,1.0,0.5979970529778631,0.38661675005140156,0.3812966897402508,0.26956685628126925,0.40886933726269614
EOS-3-35822,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nc(C)n2)nn1,CXUWAXMGVRCJNB-UHFFFAOYSA-N,3,1,0.408,31,851,443.446,2.811,5,0.39,0.57,0.891,0.617855184702899,0.44644815297100954,0.15964464395860462,0.14285347131793572,0.3417003632376122
EOS-3-35823,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncsn5)ncc4F)n23)cc1F,AATKNKXEKHOJOW-UHFFFAOYSA-N,3,1,0.506,73,665,437.435,3.87,5,0.412,0.63,1.0,0.74966588993215,0.704561030772394,0.64996401891577,0.6340723733808512,0.6845658282502913
EOS-3-35824,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cccnn6)n5)n34)nn2)n1,GYXOHPXUMKAPNL-UHFFFAOYSA-N,3,1,0.347,53,766,465.441,1.203,6,0.346,0.63,0.025,0.32955246384757725,0.14119148790350217,0.018555959152902476,0.013004591871701734,0.1255761256939209
EOS-3-35825,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)nc2F)s1,KNEHAYDQODPZPZ-UHFFFAOYSA-N,3,1,0.415,46,237,438.423,3.265,5,0.385,0.64,1.0,0.6122267150983483,0.49549379754643275,0.2813549448290042,0.30249811527654036,0.42289339318758135
EOS-3-35826,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnn6)nc5)n34)s2)c1,INSBKMUTFBPVTP-UHFFFAOYSA-N,3,1,0.277,86,902,453.466,3.968,6,0.395,0.63,1.0,0.19296141457062574,0.2840706599958879,0.34331094510314575,0.407185936536221,0.3068822390514701
EOS-3-35827,Fc1cncc(CCOc2cncc3nnc(-c4cccnc4-c4cccnn4)n23)c1F,KJEJJNJBQVILMZ-UHFFFAOYSA-N,3,1,0.483,65,265,432.394,2.938,5,0.403,0.56,0.416,0.8092831197313413,0.7369954081282982,0.4953652936741827,0.5111884038105682,0.6382080563360977
EOS-3-35828,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)c1,HETQZEKEPJGOMR-UHFFFAOYSA-N,3,1,0.56,56,755,480.467,3.157,6,0.354,0.74,1.0,0.7102751696251114,0.517922006716469,0.30655883763964087,0.30595058597765745,0.4601766499897197
EOS-3-35829,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1-c1ccccc1,FCKVYJCVVVZOGF-UHFFFAOYSA-N,3,1,0.422,95,965,419.395,3.444,5,0.434,0.64,1.0,0.48935131245288194,0.32466074977725995,0.6585138098828045,0.6657271605784387,0.5345632581728463
EOS-3-35830,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cn(C)nn6)cn5)n34)cn2)n(C)n1,BMLAJNNZYFQJRS-UHFFFAOYSA-N,3,1,0.337,99,813,465.481,2.878,6,0.378,0.64,0.994,0.1594904393119046,0.12709032965526695,0.11511376876156534,0.07229627852785964,0.11849770406414913
EOS-3-35831,Cn1nccc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1F,XMQAQXQMFISZTO-UHFFFAOYSA-N,3,1,0.512,13,145,438.825,4.916,5,0.398,0.72,1.0,0.6066325131930642,0.7276317593036804,0.9392005345761085,0.9418819820437255,0.8038366972791446
EOS-3-35832,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)s4)n23)c(F)c1,KJRVOPZLSRRJGA-UHFFFAOYSA-N,3,1,0.5,16,770,419.445,3.731,5,0.429,0.69,1.0,0.7700808717702693,0.7761805222397368,0.2662343225275855,0.2755123021040367,0.5220020046604071
EOS-3-35833,COc1ccc(F)cc1Oc1cncc2nnc(-c3ccc(C)c(-c4cccnc4)c3)n12,SOFDBCFBBKTWFT-UHFFFAOYSA-N,3,1,0.489,13,209,427.439,5.102,5,0.388,0.8,1.0,0.9131485162086218,0.8208484682338428,0.8811596189431842,0.7992426838462066,0.8535998218079639
EOS-3-35834,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1,VBWUQYMWWPGROF-UHFFFAOYSA-N,3,1,0.6,90,536,470.867,3.441,5,0.416,0.57,0.996,0.6262507710232335,0.4595726817901446,0.835360838873278,0.7855270372147214,0.6766778322253444
EOS-3-35835,Fc1cc(-c2ccncc2)cnc1Cc1cncc2nnc(-c3cnc(Cl)cc3Cl)n12,WRZXWAMUHSTHRP-UHFFFAOYSA-N,3,1,0.359,2,81,452.28,4.68,5,0.369,0.71,1.0,0.38523747515591805,0.527131450894387,0.831985470495511,0.9002381605099034,0.6611481392639298
EOS-3-35836,Cc1nnc(-c2nc(COc3cncc4nnc(-c5cc(F)c(CO)c(F)c5)n34)ccc2F)o1,SUVGLQQMXCIRQG-UHFFFAOYSA-N,3,1,0.517,4,483,469.383,3.033,5,0.399,0.65,0.984,0.6553954492495374,0.665178877390172,0.5990764855047632,0.5737612226715099,0.6233530087039956
EOS-3-35837,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)cnn2)nn1,AIPBKNGTHASEGX-UHFFFAOYSA-N,3,1,0.289,99,719,448.454,2.204,6,0.394,0.54,0.943,0.06344664519224179,0.03784010691522171,0.047794873552189705,0.04517339455828936,0.04856375505448564
EOS-3-35838,Clc1cnnc(COc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)c1,KFHZVQPXTOUHCR-UHFFFAOYSA-N,3,1,0.53,4,534,421.873,3.937,5,0.424,0.67,1.0,0.45306181892947706,0.5598399698444246,0.46435302583784527,0.5244757042012199,0.5004326297032416
EOS-3-35839,Clc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ccncn1,QFWOFLSGIWRNDN-UHFFFAOYSA-N,3,1,0.518,16,256,421.873,3.937,5,0.424,0.67,1.0,0.7700894386950861,0.7231084230004797,0.519986635597286,0.5640891645534919,0.644318415461586
EOS-3-35840,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nc2)cn1,RGJPWRPZHQFURQ-UHFFFAOYSA-N,3,1,0.316,42,714,435.516,4.982,6,0.39,0.74,1.0,0.06921218559385924,0.09463881844972928,0.6585223768076212,0.639983551504352,0.36558923308889046
EOS-3-35841,FC(F)n1cnc(-c2cccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)n1,FFYFFIXBZHABSZ-UHFFFAOYSA-N,3,1,0.483,13,374,439.813,4.891,5,0.387,0.72,1.0,0.47952504968816395,0.6996693167020767,0.8433109451031457,0.8405523953121787,0.7157644267013913
EOS-3-35842,CNC(=O)c1ccc(-c2nnc3cncc(C(=O)c4cccc(F)c4Cl)n23)cn1,FQDIJBNDYSXZQY-UHFFFAOYSA-N,3,1,0.451,90,225,410.796,2.569,4,0.519,0.69,1.0,0.4482557741073264,0.5045490370776506,0.4467993968884929,0.46415598656706186,0.465940048660133
EOS-3-35843,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncn5)c(F)c4)n23)nn1,HYQPKIQUCULHGF-UHFFFAOYSA-N,3,1,0.467,54,348,414.404,3.065,5,0.432,0.69,1.0,0.6918734151189089,0.612543691316565,0.48184668631348093,0.4420961551641423,0.5570899869782743
EOS-3-35844,Cc1nccc(CCOc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)n1,HLELACGCLWVCPB-UHFFFAOYSA-N,3,1,0.458,87,307,428.431,3.107,5,0.406,0.6,1.0,0.7582071139743678,0.6457148242067028,0.2994225892673566,0.2785364265643205,0.4954702385031869
EOS-3-35845,Cc1nc(COc2cncc3nnc(-c4cc(-c5ccncc5Cl)cnn4)n23)ccc1F,XJYLUVRCHQCRSC-UHFFFAOYSA-N,3,1,0.446,4,207,448.849,3.718,5,0.4,0.6,0.999,0.5044976355287506,0.5598485367692413,0.5926255911178123,0.619662805839216,0.5691586423137551
EOS-3-35846,Cc1nc(-c2nc(C)c(F)[nH]2)cc(-c2nnc3cncc(OCCc4cnccc4F)n23)n1,KTXXDTDGEMHDLM-UHFFFAOYSA-N,3,1,0.414,31,599,449.425,2.883,5,0.42,0.62,0.967,0.5609622369954081,0.3959718319512028,0.24130457131108218,0.23113563155369748,0.3573435679528476
EOS-3-35847,CCn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cncc(F)c1,YVTRZOFLMIGOOR-UHFFFAOYSA-N,3,1,0.416,95,235,448.437,3.364,5,0.377,0.61,0.764,0.4228891097251731,0.24330923171818244,0.32152525529435955,0.3694057980947159,0.33928234870810775
EOS-3-35848,Cn1nccc1-c1ccc(F)c(-c2nnc3cncc(Oc4cccc(F)c4F)n23)c1,CQXHTZPWECYQFF-UHFFFAOYSA-N,3,1,0.449,13,145,422.37,4.401,5,0.429,0.7,1.0,0.5376687684188883,0.6651874443149887,0.9369645671989583,0.9255448564183401,0.7663414090877938
EOS-3-35849,CCn1nc(C)nc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)nc(C)n1,IXIXHPIMYFMSPU-UHFFFAOYSA-N,3,1,0.38,33,760,471.485,1.549,5,0.368,0.62,0.832,0.14871324789253648,0.07495202522102666,0.004891714070317319,0.0009252278802001233,0.057370553766020155
EOS-3-35850,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5nc(Cl)ccc5F)n34)ccn2)n1,KOFAAAFYWYKBCG-UHFFFAOYSA-N,3,1,0.478,58,241,450.865,3.396,5,0.366,0.64,1.0,0.620433829072716,0.6310482489205674,0.4173891439928723,0.4387636214104585,0.5269087108491536
EOS-3-35851,Cn1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1ccc(Cl)nc1,MIRCCAARESYKBE-UHFFFAOYSA-N,3,1,0.447,95,493,450.865,3.396,5,0.366,0.64,1.0,0.4893598793776986,0.4859759440751148,0.5096292234939346,0.5544171064354739,0.5098455383455555
EOS-3-35852,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)cc1,VAQGZXNKZHQTOG-UHFFFAOYSA-N,3,1,0.276,30,543,419.408,3.36,6,0.423,0.62,0.999,0.09081796998149544,0.0415153176615722,0.18208998697827428,0.2547032417243506,0.1422816290864231
EOS-3-35853,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)ncc5C)cn4)n23)cc1,AJXGVPQGFAZMGY-UHFFFAOYSA-N,3,1,0.588,89,744,422.492,4.753,5,0.407,0.76,1.0,0.5094578849976013,0.3387105064765952,0.6527311356315537,0.5011051333013501,0.500501165101775
EOS-3-35854,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)ccn2)cnc1F,CFMVTGKJUGWDAI-UHFFFAOYSA-N,3,1,0.448,75,496,429.419,2.502,5,0.375,0.61,1.0,0.7008943869508601,0.5734442464532932,0.26263621410458504,0.24288088547734904,0.44496393324652184
EOS-3-35855,Cc1ccccc1-c1nnc2cncc(-c3ncc(-c4cc(C(F)(F)F)nn4C)s3)n12,GDLVTWUVXGJJCD-UHFFFAOYSA-N,3,1,0.337,50,121,441.442,4.643,5,0.408,0.71,1.0,0.14563772188335275,0.3146374477417586,0.7824001096566376,0.6515231992324035,0.47354961962853814
EOS-3-35856,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cscn5)n4)n23)cc1,LRHXOMHFFQNNST-UHFFFAOYSA-N,3,1,0.484,56,415,469.494,2.474,6,0.358,0.66,1.0,0.34376499211842915,0.2378863683092317,0.059060379686107875,0.05892330888904119,0.17490876225070248
EOS-3-35857,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccc(Cl)nn6)nc5)n34)cn2)nn1,NKLIBUZRNFQEGO-UHFFFAOYSA-N,3,1,0.289,86,719,480.883,2.914,6,0.366,0.71,0.993,0.20133130011651018,0.2532211637310671,0.10429374271811391,0.14286203824275237,0.17542706120211088
EOS-3-35858,COc1cccc(F)c1-c1cc(Cc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)ncn1,XMEHKCUCXQNBTE-UHFFFAOYSA-N,3,1,0.343,14,81,463.423,4.319,5,0.37,0.68,1.0,0.4819494894112809,0.5363151942978548,0.8545850181618806,0.7970495510931396,0.667474813241039
EOS-3-35859,Cc1cc(-c2cnc(-c3nnc4cncc(CCc5ccc(Cl)nn5)n34)c(F)c2)ccc1F,PFDWEXMNPRQLGR-UHFFFAOYSA-N,3,1,0.299,14,81,463.879,4.669,5,0.377,0.74,1.0,0.42065314234802276,0.5045576040024673,0.6802395312178741,0.7761719553149201,0.5954055582208211
EOS-3-35860,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)s5)n34)cn2)nc1,IYYKUCUAUZUABJ-UHFFFAOYSA-N,3,1,0.483,80,34,465.502,3.741,6,0.362,0.69,1.0,0.4968045370433829,0.5503478171475568,0.15026386128435337,0.13157939825920087,0.3322489034336235
EOS-3-35862,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnnc5)c(F)cn4)n23)c(F)n1,YPWGNAGWTNCXFH-UHFFFAOYSA-N,3,1,0.478,4,202,432.394,3.204,5,0.39,0.61,1.0,0.614968131039682,0.6651960112398053,0.6411743540538688,0.5802292509080941,0.6253919368103625
EOS-3-35863,CCOCc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccnc5F)cn4)n23)nc1,YPGLYBJUHIVDMA-UHFFFAOYSA-N,3,1,0.412,7,128,458.457,3.293,5,0.346,0.65,0.347,0.5194726201082859,0.5089096018093345,0.3659104927695154,0.27234253992186963,0.4166588136522513
EOS-3-35864,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncnn5C)n34)c(F)c2)n(C)n1,ZIDDQLNNBJQNOR-UHFFFAOYSA-N,3,1,0.444,36,404,419.424,2.347,5,0.431,0.64,1.0,0.4919299568226989,0.4955023644712494,0.15633781097937086,0.12524844081968337,0.31725464327325065
EOS-3-35865,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cnc2Cl)cn1,XSRDOQSAFGNZNM-UHFFFAOYSA-N,3,1,0.477,7,464,450.915,3.949,5,0.371,0.73,1.0,0.4507658830786101,0.5937478582687958,0.18209855390309096,0.1740713453498732,0.35017091015009255
EOS-3-35866,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c(Cl)c2)nn1,MHTDALBVNZRERW-UHFFFAOYSA-N,3,1,0.3,98,369,468.912,3.703,6,0.388,0.64,1.0,0.11021348776643136,0.19839284490439313,0.354961962853814,0.39180830649030224,0.26384415050373516
EOS-3-35867,Clc1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)nc1,JSQSZXLFTUOPLK-UHFFFAOYSA-N,3,1,0.346,38,787,453.853,4.014,6,0.389,0.62,1.0,0.3319169350969776,0.377398738948667,0.38497190048660135,0.49151874443149884,0.39645157974093614
EOS-3-35868,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cc(C)n2)ccn1,VUQFUOVUGUWOKL-UHFFFAOYSA-N,3,1,0.478,16,43,445.433,4.117,5,0.402,0.6,1.0,0.8065759714892742,0.6125522582413817,0.7824086765814543,0.6863134809128915,0.7219625968062504
EOS-3-35869,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4Cl)n23)n1,NEYAXBNYAZAGFY-UHFFFAOYSA-N,3,1,0.511,72,639,464.316,4.572,5,0.34,0.78,1.0,0.8346583510383113,0.8889640874511685,0.6554725515728874,0.7433349324926325,0.78060748063875
EOS-3-35870,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)cn2)cn1,INAGGPAQLOWNTO-UHFFFAOYSA-N,3,1,0.547,13,374,465.395,4.485,5,0.362,0.72,1.0,0.9347371667466247,0.9521708587485436,0.8988674525392365,0.8324823521348776,0.9045644575423206
EOS-3-35871,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)nc2)n1,ZIYYSVFDLCNRRG-UHFFFAOYSA-N,3,1,0.327,53,52,453.388,3.496,5,0.407,0.61,1.0,0.5045062024535673,0.5179305736412857,0.6554811184977041,0.44210472208895896,0.530005654170379
EOS-3-35872,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5cncc(Cl)c5)n[nH]4)n23)ccc1F,DBXLFNXXZFDPDQ-UHFFFAOYSA-N,3,1,0.406,87,963,450.865,3.694,5,0.42,0.62,1.0,0.5805376602014941,0.48598451099993145,0.4953738605989994,0.5244842711260366,0.5215950757316153
EOS-3-35873,OCC#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cn1,COXYCOODLMDECD-UHFFFAOYSA-N,3,1,0.436,24,786,459.466,2.767,5,0.4,0.63,0.998,0.7376122267150983,0.7045695976972106,0.6347577273661846,0.5212459735453362,0.6495463813309574
EOS-3-35875,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2)cn1,LHAPJXDAUYYONG-UHFFFAOYSA-N,3,1,0.288,42,327,418.424,3.095,6,0.463,0.6,1.0,0.11022205469124803,0.13033719416078404,0.31403776300459185,0.32420670276197655,0.21970092865465013
EOS-3-35876,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ncc(Cl)cc5Cl)n34)ncn2)cn1,GCPRCRUPGYMESI-UHFFFAOYSA-N,3,1,0.308,46,971,455.24,4.277,5,0.37,0.67,0.999,0.6677232540607224,0.7091871701733946,0.7016825440339935,0.7690956754163526,0.7119221609211158
EOS-3-35877,Fc1cccc(-c2cnc(COCc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)nc2)c1,STTZJPUJMUYKJD-UHFFFAOYSA-N,3,1,0.385,14,81,463.423,4.437,5,0.353,0.71,1.0,0.427686587622507,0.5641405661023919,0.8499160441367967,0.8385477349050785,0.6700727331916936
EOS-3-35878,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)nc(C)n1,ZBQQKQBMHXRBII-UHFFFAOYSA-N,3,1,0.379,31,851,430.476,2.128,5,0.386,0.61,1.0,0.14303337673908573,0.01954972243163594,0.0319631964909876,0.015694606264135425,0.05256022548146118
EOS-3-35879,c1cnnc(-c2ccc(-c3nnc4cncc(-c5cncnc5-n5cncn5)n34)cn2)c1,IIZYNROJYFAFNO-UHFFFAOYSA-N,3,1,0.247,99,719,420.4,1.681,6,0.414,0.59,0.971,0.02526386128435337,0.03496162017682133,0.08719416078404496,0.10456788431224727,0.06299688163936673
EOS-3-35881,Cn1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cs2)n1,RUKUCYMRNUZBRZ-UHFFFAOYSA-N,3,1,0.273,99,286,427.457,2.495,6,0.454,0.57,0.65,0.09307963813309575,0.11988554588444932,0.07986944006579398,0.07795901583167707,0.09269840997875403
EOS-3-35882,Cn1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cn1,NCZPXVGZMUPODN-UHFFFAOYSA-N,3,1,0.767,91,309,414.444,3.952,5,0.421,0.77,1.0,0.5835532177369611,0.5937564251936125,0.7452624905763827,0.7087331231581112,0.6578263141662669
EOS-3-35884,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cn4)n23)cc1,BOGPYDGXEYHWMW-UHFFFAOYSA-N,3,1,0.375,14,357,408.425,2.333,5,0.473,0.79,1.0,0.12959187170173395,0.028947638955520525,0.27374751559180316,0.21080631896374477,0.1607733363032006
EOS-3-35885,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)cn1,RTLANODQQCABKP-UHFFFAOYSA-N,3,1,0.494,87,76,419.445,3.465,5,0.389,0.74,1.0,0.6738828730039065,0.6218730724419163,0.41354259475018845,0.3887584812555685,0.524514255362895
EOS-3-35886,Cn1c(F)cnc1-c1cc(CO)nc(-c2nnc3cncc(OCCc4ncccc4F)n23)c1,LDHKMIPTAMHAAF-UHFFFAOYSA-N,3,1,0.408,31,814,464.436,2.374,5,0.39,0.61,0.999,0.49681310396819955,0.3200003426769927,0.3065674045644575,0.2994568569666233,0.35570942704406827
EOS-3-35887,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccc4Cl)n23)cc1,JXUIOJPFROWWRK-UHFFFAOYSA-N,3,1,0.632,97,232,449.301,5.134,5,0.37,0.76,1.0,0.9447519018573093,0.9673685833733123,0.9271297375094236,0.9481529710095264,0.946850798437393
EOS-3-35888,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccnnc6)c5)n34)cn2)cc1,MQCMOOGBEURUOT-UHFFFAOYSA-N,3,1,0.461,41,363,458.485,4.284,6,0.364,0.69,1.0,0.5351586594476047,0.3821276814474676,0.6173326022890823,0.5833304776917277,0.5294873552189705
EOS-3-35889,CCn1c(CF)nc(-c2ncc(C)cn2)c1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,LXLVKXXKTTVWHX-UHFFFAOYSA-N,3,1,0.319,74,333,471.5,3.269,5,0.404,0.63,1.0,0.12382633130011651,0.08195976972106092,0.029701528339387294,0.01990953327393599,0.06384929065862519
EOS-3-35890,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(Cl)ncc4Cl)n23)c1,QVFVKHNNFAEHFU-UHFFFAOYSA-N,3,1,0.379,46,211,453.293,3.868,5,0.373,0.63,1.0,0.4819580563360976,0.42856898087862383,0.6614608320197382,0.6834692618737578,0.5638642827770544
EOS-3-35891,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)nc2)nn1,ZTSNAJXLIWYSPO-UHFFFAOYSA-N,3,1,0.506,71,415,464.493,2.961,6,0.37,0.63,1.0,0.2479782057432664,0.1680059625796724,0.2886882324720718,0.2048865739154273,0.2273897436776095
EOS-3-35892,FC(F)(F)c1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)nc1,GBSHPSMZEZROLU-UHFFFAOYSA-N,3,1,0.471,27,946,474.79,3.883,5,0.374,0.7,1.0,0.8418631348091289,0.8671783976423822,0.9114436981701048,0.8616355972859983,0.8705302069769035
EOS-3-35893,Fc1ccc(Cl)nc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1,NFRYQALMJHZJEH-UHFFFAOYSA-N,3,1,0.325,42,150,469.871,4.289,6,0.355,0.72,1.0,0.03128640943047084,0.2581128778013844,0.5737612226715099,0.6311082173942841,0.3735671818244123
EOS-3-35894,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)nc1,YLCVRLVHCWDJOF-UHFFFAOYSA-N,3,1,0.426,7,354,431.847,2.974,5,0.387,0.58,1.0,0.532468645055171,0.754900280995134,0.2197930230964293,0.22830854636419712,0.43386762387773287
EOS-3-35895,CCn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3nccnc3-c3cccnc3)n12,MUJJBRINMCWUIX-UHFFFAOYSA-N,3,1,0.257,86,953,452.507,3.65,6,0.39,0.61,0.993,0.049756699335206635,0.03784867384003838,0.019464053183469263,0.041463916112672194,0.03713333561784662
EOS-3-35896,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cc1,RAMYYTAEXYCQGM-UHFFFAOYSA-N,3,1,0.397,93,380,439.482,5.183,6,0.378,0.76,1.0,0.04376841888835584,0.18090775135357412,0.8733037488862998,0.885391679802618,0.49584289973271195
EOS-3-35897,Fc1cnc(F)c(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)c1F,ZAYNCHHZRFFYLC-UHFFFAOYSA-N,3,1,0.489,20,846,449.396,3.682,5,0.365,0.62,1.0,0.7613597423069015,0.7888681378932219,0.794899252964156,0.7761805222397368,0.7803269138510041
EOS-3-35898,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5cnnn5C)n4)n23)cn1,OKRDZDQTSFKYNZ-UHFFFAOYSA-N,3,1,0.275,76,935,447.466,2.809,6,0.401,0.54,1.0,0.0107514906449181,0.01497498457953533,0.07785621273387705,0.07796758275649372,0.04538756767870605
EOS-3-35899,Fc1cc(-c2ncc[nH]2)ccc1-c1nnc2cncc(OCc3ccc(Cl)s3)n12,IAINHEVKGORFKZ-UHFFFAOYSA-N,3,1,0.489,4,554,426.864,4.614,5,0.443,0.72,1.0,0.8012987458022068,0.8835669248166678,0.7731735316290864,0.8035689808786238,0.8154020457816462
EOS-3-35900,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1F,BLWBYOWFLCIKLO-UHFFFAOYSA-N,3,1,0.553,75,583,431.406,3.543,5,0.406,0.58,1.0,0.8418717017339455,0.7184908505242958,0.6828610102117744,0.6657357275032554,0.7272398224933179
EOS-3-35901,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cc1,JUWJMVAVXVAQCA-UHFFFAOYSA-N,3,1,0.5,89,731,480.488,2.351,6,0.373,0.78,1.0,0.4390291960797752,0.15247412788705367,0.21620348159824548,0.13815879651840177,0.236466400520869
EOS-3-35902,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)c(F)c2)nn1C,YHKRNDRDRUHWEN-UHFFFAOYSA-N,3,1,0.506,92,815,417.408,2.403,5,0.429,0.65,1.0,0.4994345829620999,0.5271400178192036,0.14414707696525256,0.12301247344253306,0.3234335377972723
EOS-3-35903,COc1cnc(Cl)cc1-c1ccc(COc2cncc3nnc(-c4ccc(C)cc4)n23)cn1,JQGPWUYFUFLJKJ-UHFFFAOYSA-N,3,1,0.54,97,230,458.909,4.798,5,0.338,0.8,1.0,0.897488177643753,0.7276403262284971,0.7589781372078679,0.6486104447947365,0.7581792714687137
EOS-3-35904,Fc1ccc(OC2CC2)c(-c2nnc3cncc(Cc4ccc(-c5nnccc5F)cn4)n23)c1,PLPCJWHMQYZVFX-UHFFFAOYSA-N,3,1,0.333,14,81,457.444,4.054,6,0.38,0.61,0.999,0.48689260503049825,0.504566170927284,0.5369234459598382,0.6542132136248372,0.5456488588856144
EOS-3-35905,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cccc(C#N)n5)n34)cs2)n(C)n1,UYAJPXBRCUJYPI-UHFFFAOYSA-N,3,1,0.432,92,185,429.469,2.802,5,0.418,0.62,1.0,0.24246110616133232,0.16011582482352135,0.07987800699061065,0.06675347817147556,0.13730210403673498
EOS-3-35906,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C)s1,URXAXJPPUQBFDI-UHFFFAOYSA-N,3,1,0.488,31,569,419.474,2.368,5,0.413,0.7,1.0,0.14872181481735317,0.018007675964635733,0.017819203618669042,0.01454663833870194,0.049773833184839966
EOS-3-35907,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncon5)nc4)n23)nc1,MRMZGZFDHGFXMA-UHFFFAOYSA-N,3,1,0.308,86,114,420.396,2.755,6,0.419,0.63,1.0,0.1430419436639024,0.09152902474127887,0.07786477965869372,0.1067181824412309,0.10478848262627646
EOS-3-35908,Cc1nnc(-c2ccc(F)cn2)cc1COc1cncc2nnc(-c3cnc(Cl)nc3)n12,ZWDSARFUNAOTPY-UHFFFAOYSA-N,3,1,0.435,55,434,449.837,3.113,5,0.373,0.6,1.0,0.7376207936399151,0.7370039750531149,0.33600335823452815,0.36311767527928174,0.54343645055171
EOS-3-35909,Fc1cc(CCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncc1-c1ccon1,NSIWBJDCFDNVHA-UHFFFAOYSA-N,3,1,0.387,85,290,437.385,4.098,5,0.395,0.61,1.0,0.4047015283393873,0.5179391405661024,0.7524587074223836,0.7167688986361456,0.5979670687410047
EOS-3-35910,CN1Cc2cc(-c3cncc4nnc(-c5scnc5-c5cccc(F)c5)n34)ccc2C1=O,RDVCIIFAWKVXIR-UHFFFAOYSA-N,3,1,0.394,62,3,442.479,4.307,6,0.416,0.69,1.0,0.2797786306627373,0.2892879172092386,0.3102254814611747,0.43268967171544104,0.32799542526214787
EOS-3-35911,c1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)c2)nc1,BOVJDMCYYSBLID-UHFFFAOYSA-N,3,1,0.269,70,719,419.412,2.49,6,0.457,0.59,0.971,0.0769395517784936,0.11360598999383181,0.1563463779041875,0.182561167843191,0.13236327187992597
EOS-3-35912,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(F)c1,FZWCIMMVCMRMLE-UHFFFAOYSA-N,3,1,0.458,26,482,464.892,3.879,5,0.36,0.66,1.0,0.6584367075594545,0.6557124254677541,0.4503718045370434,0.4704098416832294,0.5587326948118704
EOS-3-35913,COc1cc(-c2cc(C)n(C)n2)ccc1-c1nnc2cncc(OCCc3ccc(F)nc3)n12,RMIMITOGUFOTHO-UHFFFAOYSA-N,3,1,0.567,15,669,459.485,3.664,5,0.343,0.71,1.0,0.4843482283599479,0.4011376876156535,0.49892913439791653,0.3275649372901103,0.4279949969159071
EOS-3-35914,Cc1cc(F)cc(-c2nnc3cncc(OCc4cnc(-c5cn(C)nn5)cn4)n23)c1,QIILWAKNCPITOE-UHFFFAOYSA-N,3,1,0.517,7,212,417.408,2.403,5,0.429,0.63,1.0,0.33192550202179427,0.37740730587348364,0.24473990816256597,0.22831711328901377,0.2955974573367144
EOS-3-35915,Fc1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1-c1ccccn1,BLKFYQBKDMAMFN-UHFFFAOYSA-N,3,1,0.61,97,71,432.846,4.62,5,0.403,0.65,1.0,0.7871804537043383,0.8785038722500171,0.8433195120279624,0.8712391200054829,0.8450607394969503
EOS-3-35916,Clc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ccon5)c4)n23)n1,XTBAESOFXMBJQQ-UHFFFAOYSA-N,3,1,0.547,24,583,419.832,3.511,5,0.385,0.73,1.0,0.5980056199026798,0.5687581385785758,0.347251730518813,0.3853231444040847,0.47483465835103833
EOS-3-35917,CCc1ncc(COc2cncc3nnc(-c4ccc(F)c(-c5nccn5C)c4)n23)cc1F,AUGKAMIIDQNPSL-UHFFFAOYSA-N,3,1,0.517,16,353,447.449,4.006,5,0.391,0.64,1.0,0.7009029538756768,0.6507778767733534,0.6317764375299842,0.5609194023713248,0.6360941676375849
EOS-3-35918,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnccn5)s4)n23)cc1,HPFLPEAMWLNLET-UHFFFAOYSA-N,3,1,0.342,64,176,452.478,4.573,6,0.387,0.71,0.993,0.21493557672537866,0.34385066136659587,0.41355116167500516,0.5046604071002673,0.3692494517168118
EOS-3-35920,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5conn5)cn4)n23)nc1,BQYKFVYRJRIUBZ-UHFFFAOYSA-N,3,1,0.277,70,114,420.396,2.755,6,0.419,0.62,0.981,0.06345521211705846,0.05614762524844082,0.10430230964293058,0.13816736344321842,0.09051812761291207
EOS-3-35921,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncn(-c5ccc(Cl)nn5)n4)n23)cc1,DFMAWEBKBONLCX-UHFFFAOYSA-N,3,1,0.322,10,507,471.847,3.079,6,0.381,0.62,0.886,0.05290076074292372,0.24837228428483313,0.24131313823589884,0.39791652388458637,0.23512567678706053
EOS-3-35922,COCc1cnc(COc2cncc3nnc(-c4cccc(-c5cccc(C#N)c5)c4)n23)nn1,LASVKQFFCBLWTJ-UHFFFAOYSA-N,3,1,0.432,89,506,450.462,3.24,5,0.367,0.6,1.0,0.4720032896991296,0.4905763827016654,0.4100815571242547,0.41681516003015556,0.4473690973888013
EOS-3-35923,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)c(F)c1,OZUACBKGKNNKKK-UHFFFAOYSA-N,3,1,0.326,42,314,455.482,3.911,6,0.397,0.6,1.0,0.25320402988143376,0.3532057432663971,0.4135597285998218,0.4326982386402577,0.3631669350969776
EOS-3-35924,Fc1ccc(-c2nnccc2-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)nc4)n23)cc1,RWNOMMQXMWKOEE-UHFFFAOYSA-N,3,1,0.405,3,192,464.439,4.651,6,0.375,0.69,1.0,0.3485196353916798,0.5000428346240834,0.7501713384963333,0.8166421081488588,0.6038439791652388
EOS-3-35925,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ncc4F)n23)cc1,JDWDKSMVROSFDJ-UHFFFAOYSA-N,3,1,0.553,26,626,449.877,4.001,5,0.364,0.65,1.0,0.9199677883626893,0.8320454389692276,0.7589867041326845,0.7382119114522651,0.8123029607292166
EOS-3-35926,Fc1cc(F)nc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1,SDTPCIQILARTSD-UHFFFAOYSA-N,3,1,0.593,24,912,417.379,3.501,5,0.404,0.69,1.0,0.5697005003084092,0.5687667055033925,0.6638938386676718,0.6458261942293194,0.6120468096771983
EOS-3-35927,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cnn(C)c5C)cn4)n23)ccc1Cl,ZCHQZUSYNWAVGA-UHFFFAOYSA-N,3,1,0.541,4,677,445.914,4.436,5,0.398,0.72,1.0,0.3829929408539511,0.6078233157425811,0.6203138921252828,0.5413953807141388,0.5381313823589885
EOS-3-35928,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ncccc4F)c(OC)n3)n12,HBFFCTMEHSGZKD-UHFFFAOYSA-N,3,1,0.476,49,703,472.48,4.026,5,0.334,0.79,1.0,0.8065845384140908,0.5641491330272086,0.4747447056404633,0.3307775340963608,0.5440639777945309
EOS-3-35929,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c(-c2cc(F)ccn2)n1,XQBYFGHPKMGHPL-UHFFFAOYSA-N,3,1,0.333,98,882,466.484,3.671,6,0.382,0.62,1.0,0.16514460969090536,0.212579672400795,0.21980159002124597,0.24288945240216572,0.21010383112877803
EOS-3-35930,Cc1cc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)cc(-c2ncccn2)n1,BORRTMPKOFOGBY-UHFFFAOYSA-N,3,1,0.483,7,420,431.847,2.974,5,0.387,0.61,1.0,0.5300613391816873,0.5363237612226716,0.17567336029059008,0.1632684531560551,0.351331728462751
EOS-3-35931,CCc1cnc(COc2cncc3nnc(-c4cnnc(-c5ccc(C)nn5)c4)n23)cn1,LQEJWZUZFAITEJ-UHFFFAOYSA-N,3,1,0.418,53,587,426.444,2.278,5,0.398,0.58,1.0,0.3193406894661092,0.22292851757932972,0.05142724967445686,0.03234014118292098,0.15650914947570418
EOS-3-35932,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1nncc(C)n1,CRZPUNWJZVJBIP-UHFFFAOYSA-N,3,1,0.5,4,248,446.496,3.304,5,0.387,0.63,1.0,0.2908470975258721,0.24838085120964978,0.08720272770886163,0.04016174354053869,0.16664810499623056
EOS-3-35933,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)c2)c1,XPBKZKAPLRMOKL-UHFFFAOYSA-N,3,1,0.489,15,561,449.877,4.001,5,0.364,0.66,1.0,0.8143804399972586,0.7549088479199506,0.6499725858405867,0.6428791720923858,0.7155352614625454
EOS-3-35934,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4nccnc4-c4ncc(Cl)cn4)n23)nc1,NKHZWJIFBKRKMN-UHFFFAOYSA-N,3,1,0.238,86,249,470.848,1.339,6,0.363,0.61,1.0,0.10297443629634706,0.18926050304982522,0.0062538551161675,0.011196970735384826,0.07742144129943115
EOS-3-35935,Fc1ccc(-c2cc(Cl)nc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)nn1,CNECUHUGCCAILK-UHFFFAOYSA-N,3,1,0.423,54,88,466.839,3.591,5,0.35,0.66,0.833,0.7757607429237201,0.689757384689192,0.6554896854225207,0.702984716606127,0.70599813241039
EOS-3-35936,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(C)n5)n34)nc2)nc1,GPYHEFWPQAVMMD-UHFFFAOYSA-N,3,1,0.43,7,464,410.441,3.234,5,0.435,0.83,1.0,0.4136453978479885,0.28407922692070453,0.17886882324720718,0.11380302926461518,0.24759911932012885
EOS-3-35937,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)s1,IECVHVRZWAKOCY-UHFFFAOYSA-N,3,1,0.539,11,655,448.939,4.893,5,0.368,0.74,1.0,0.7256613665958468,0.7503769446919334,0.49538242752381606,0.5179734082653691,0.6223485367692414
EOS-3-35938,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c(F)cn1,KIRDNLQZUZRPJZ-UHFFFAOYSA-N,3,1,0.444,73,564,454.828,3.492,5,0.401,0.58,1.0,0.7555513672812008,0.6897659516140087,0.6882324720718251,0.7003375368377767,0.7084718319512028
EOS-3-35939,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ncc(Cl)s5)n34)c2)cc1,YJZYPXPKWIEQQV-UHFFFAOYSA-N,3,1,0.53,87,137,452.902,4.724,5,0.371,0.77,1.0,0.7132307586868618,0.8208570351586595,0.5958124871496128,0.7057689671715441,0.7089173120416695
EOS-3-35940,c1ccc(-c2cnccc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,AKTRSKKLNWDQSI-UHFFFAOYSA-N,3,1,0.307,30,298,416.448,4.101,6,0.43,0.69,0.965,0.012362072510451648,0.021837091357686245,0.3585772051264478,0.46100335823452815,0.21344493180727847
EOS-3-35941,NC(=O)c1ccc(-c2nnc3cncc(-c4ccnnc4OCc4ccc(Cl)cc4F)n23)cn1,XBBXJEOOAJSOER-UHFFFAOYSA-N,3,1,0.343,96,109,476.859,3.114,5,0.395,0.64,0.999,0.4819666232609143,0.5089181687341512,0.5096377904187512,0.5011137002261669,0.5004090706599958
EOS-3-35942,N#Cc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c2)nc1,AXYSXCLHYCUSIL-UHFFFAOYSA-N,3,1,0.552,1,676,473.418,4.718,5,0.364,0.83,1.0,0.9116236035912549,0.8835754917414845,0.9784284833116305,0.9427643752998424,0.9290979884860531
EOS-3-35944,Clc1cccnc1CCOc1cncc2nnc(-c3cncc(-c4cscn4)c3)n12,ILTNNODLVYOXEZ-UHFFFAOYSA-N,3,1,0.484,87,699,435.9,3.98,5,0.398,0.65,1.0,0.612235282023165,0.6603985333424713,0.36591905969433214,0.43877218833527515,0.5193312658488108
EOS-3-35945,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccncn5)n34)cc(Cl)n2)s1,BHBMYJWKYFMYBW-UHFFFAOYSA-N,3,1,0.478,53,486,437.876,3.036,5,0.382,0.6,0.958,0.4005123021040367,0.5408385306010555,0.08970426975532862,0.11381159618943185,0.28621667466246314
EOS-3-35946,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4F)n23)ccn1,YMULZMXHJWHGFV-UHFFFAOYSA-N,3,1,0.583,11,0,436.447,4.21,5,0.371,0.69,1.0,0.8866510177506682,0.8889726543759852,0.7223116989925297,0.7029932835309437,0.8002321636625317
EOS-3-35947,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)cnn2)nn1C,QJLDVPHYNRQVNU-UHFFFAOYSA-N,3,1,0.263,86,421,448.454,2.204,6,0.394,0.55,0.164,0.049765266260023304,0.013612843533685148,0.03717188677952162,0.035595572613254745,0.034036392296621205
EOS-3-35948,COCc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cncs5)n34)c2)cn1,LWCUGRHEQHXYPF-UHFFFAOYSA-N,3,1,0.471,65,349,446.496,2.868,5,0.355,0.68,1.0,0.34626653416489617,0.17664998971969023,0.13204201219930095,0.09838256459461311,0.18833527516962514
EOS-3-35949,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cs1,ISYLUGGSFHILMN-UHFFFAOYSA-N,3,1,0.575,15,846,415.482,3.635,5,0.418,0.77,1.0,0.7225430059625797,0.5641576999520252,0.18537111918305804,0.16327702008087178,0.4088372112946337
EOS-3-35950,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cn1,RNJVEWTZKVQRCV-UHFFFAOYSA-N,3,1,0.522,18,157,413.416,3.404,5,0.394,0.79,1.0,0.6262593379480502,0.602820231649647,0.502450140497567,0.48853745459529846,0.5550167911726407
EOS-3-35951,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)ccn1,KGTSDAYASWWCEO-UHFFFAOYSA-N,3,1,0.59,75,393,413.416,3.404,5,0.394,0.79,1.0,0.7927146871359056,0.7138818449729285,0.6288294153930505,0.5862517990542115,0.680419436639024
EOS-3-35952,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1F,RBCHBFSVDYFKCY-UHFFFAOYSA-N,3,1,0.612,12,650,425.467,4.922,5,0.386,0.78,1.0,0.9760982797614968,0.9393204715235419,0.7949078198889726,0.7738160509903365,0.871035655541087
EOS-3-35953,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cc(C)cs5)c4)n23)c(F)c1,IJKMDWGWAQNEEI-UHFFFAOYSA-N,3,1,0.489,89,805,474.521,4.301,5,0.394,0.75,1.0,0.5895157974093619,0.5089267356589678,0.5737697895963265,0.42004489068603934,0.523064303337674
EOS-3-35954,Fc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)c1,ILGUXUGVQDOBJD-UHFFFAOYSA-N,3,1,0.489,11,490,448.408,4.287,5,0.386,0.63,1.0,0.907057432663971,0.8584230004797478,0.8560242615310808,0.8663474059351655,0.8719630251524912
EOS-3-35955,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)ccnc1Cl,DMYNZCAMJXEKSB-UHFFFAOYSA-N,3,1,0.561,35,883,446.873,4.662,5,0.353,0.73,1.0,0.9498492221232266,0.9681481735316291,0.8530943732437805,0.8616441642108149,0.9081839832773627
EOS-3-35956,Fc1cc(-c2nsc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)ccn1,VMCVDFSWVLUXNV-UHFFFAOYSA-N,3,1,0.338,86,790,454.454,3.363,6,0.369,0.63,0.999,0.20684839969844424,0.3095829620999246,0.18537968610787472,0.23709821122609828,0.23472731478308545
EOS-3-35957,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5-c5cnccn5)n34)cn2)n(C)n1,BKRFHKHIQHSPCC-UHFFFAOYSA-N,3,1,0.329,42,596,463.48,4.158,6,0.387,0.62,1.0,0.23427112603659792,0.32000890960180933,0.4953909944486327,0.4792509080940306,0.38223048454526765
EOS-3-35958,FC(F)(F)c1ccc(-c2nnc3cncc(CCc4nc(-c5ccon5)ns4)n23)cn1,LXWNJNBTSAFAON-UHFFFAOYSA-N,3,1,0.467,85,580,444.402,3.497,5,0.405,0.6,1.0,0.3344184771434446,0.4417706120211089,0.3738263313001165,0.34357651977246245,0.3733979850592831
EOS-3-35959,Cn1ncnc1-c1nccnc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3)n12,ZXSGQAOWZPDYMT-UHFFFAOYSA-N,3,1,0.423,56,614,453.43,1.136,6,0.384,0.55,1.0,0.3415204578164622,0.2125882393256117,0.01782777054348571,0.01509492152696868,0.14675784730313207
EOS-3-35960,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)nn6)s5)n34)cc2)cn1C,CZHGTSSKTXASEL-UHFFFAOYSA-N,3,1,0.311,98,865,453.535,4.024,6,0.4,0.61,1.0,0.07320437255842643,0.11652731135631554,0.19196765129189225,0.1554468507984374,0.13428654650126792
EOS-3-35961,Clc1cnc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cn1,UHPOIMHNYDLJEI-UHFFFAOYSA-N,3,1,0.265,39,527,454.845,2.334,6,0.39,0.56,0.639,0.003897950791583853,0.10758344184771435,0.028553560413953807,0.07621136316907683,0.054061579055582204
EOS-3-35962,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)ccn2)cn1,KSVJEEDUYJRYEJ-UHFFFAOYSA-N,3,1,0.552,75,530,442.458,3.416,5,0.394,0.59,1.0,0.6801281611952573,0.5982626276471797,0.3813052566650675,0.28442190391337124,0.48602948735521895
EOS-3-35963,COc1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1nccc(C)n1,YJEHBQHKASZFJT-UHFFFAOYSA-N,3,1,0.41,49,896,458.457,3.116,5,0.363,0.62,1.0,0.7525957782194503,0.5408470975258721,0.2268950037694469,0.15545541772325405,0.41894832430950585
EOS-3-35964,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,GEIKTVYPOUWYIY-UHFFFAOYSA-N,3,1,0.43,18,116,415.392,2.194,5,0.411,0.66,1.0,0.6405232677678021,0.5045747378521006,0.15337365499280378,0.15283393872935372,0.36282639983551507
EOS-3-35965,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3ccc(CN4CCCCC4)cn3)n12,SSMOPELEQLYODC-UHFFFAOYSA-N,3,1,0.479,63,12,468.483,4.828,5,0.387,0.76,1.0,0.36686142142416556,0.4285775478034405,0.2269035706942636,0.49152731135631555,0.37846746281954624
EOS-3-35966,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,BGBIRNWAZKDVBO-UHFFFAOYSA-N,3,1,0.489,65,76,448.849,3.452,5,0.364,0.6,1.0,0.8013073127270235,0.8354979096703448,0.5990850524295799,0.6042937427181139,0.7100460043862655
EOS-3-35967,Cc1nc(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)ccc1F,QWQPOYCLVVWRIJ-UHFFFAOYSA-N,3,1,0.523,72,506,413.416,3.67,5,0.434,0.76,1.0,0.6289664861901172,0.5788414090877938,0.5703944212185594,0.5111969707353848,0.5723498218079638
EOS-3-35968,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)cc1-c1ncon1,SYTQNWOBUUMUNA-UHFFFAOYSA-N,3,1,0.506,4,677,417.404,3.571,5,0.427,0.72,1.0,0.5835617846617778,0.559857103694058,0.4433212254129258,0.35313720786786373,0.48496933040915624
EOS-3-35969,Fc1ncccc1-c1ncccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nn3)n12,DMENFLXIMGTABC-UHFFFAOYSA-N,3,1,0.304,30,371,446.449,4.511,6,0.368,0.67,0.509,0.23427969296141457,0.2840877938455212,0.5169282434377356,0.5954355424576794,0.4076828181755877
EOS-3-35970,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccn5)c4)n23)cn1,XUIJFJAVLCRKKF-UHFFFAOYSA-N,3,1,0.337,32,20,446.449,4.511,6,0.368,0.67,1.0,0.282520046604071,0.3959803988760195,0.6441470769652525,0.6458347611541361,0.4921205708998697
EOS-3-35971,Cc1nc(COc2cncc3nnc(-c4ccc(F)cn4)n23)cc(-c2ccnc(C)c2C)n1,LKKIQCLGWAREMZ-UHFFFAOYSA-N,3,1,0.417,46,128,442.458,3.682,5,0.406,0.58,1.0,0.540178877390172,0.4727229113837297,0.284918785552738,0.204895140840244,0.3756789287917209
EOS-3-35972,Fc1cncc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)c1F,MHVXVFRYVPTZOD-UHFFFAOYSA-N,3,1,0.407,46,160,417.379,3.501,5,0.432,0.65,1.0,0.7072853128640944,0.5547083818792407,0.7927489548351724,0.7788020012336372,0.7083861627030361
EOS-3-35973,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(C)ccn5)n34)nc(C)n2)nc1,MGDHORIYBWYIRR-UHFFFAOYSA-N,3,1,0.426,31,330,438.495,3.585,5,0.396,0.61,0.995,0.43903776300459185,0.13374683023781783,0.14137139332465218,0.09433897608114591,0.20212374066205196
EOS-3-35974,COc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ncc(Cl)cn1,FDTHUEMMBIJEOL-UHFFFAOYSA-N,3,1,0.412,65,116,461.873,2.717,5,0.357,0.6,0.999,0.7041326845315605,0.5503563840723734,0.08971283668014529,0.08150572270577754,0.3564269069974642
EOS-3-35975,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,SCJZZTFRRCMPOA-UHFFFAOYSA-N,3,1,0.529,27,69,434.41,3.498,5,0.404,0.59,1.0,0.4695017476526626,0.4771691453635803,0.6991296004386266,0.5477434720032897,0.5483859913645397
EOS-3-35976,COc1ccncc1CCOc1cncc2nnc(-c3ccnc(-c4cn(C)nc4C)c3)n12,BHPUYUYOORJJLW-UHFFFAOYSA-N,3,1,0.524,75,329,442.483,2.92,5,0.379,0.6,1.0,0.24506545130559934,0.05231820985539031,0.21981015694606265,0.10672674936604756,0.15598014186827497
EOS-3-35977,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)ncn5)n34)cc2)ccn1,QHHAQNDNGIFJEG-UHFFFAOYSA-N,3,1,0.309,94,171,447.437,3.906,6,0.375,0.62,1.0,0.2988400383798232,0.4151617435405387,0.682869577136591,0.677532382975807,0.51860093550819
EOS-3-35978,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5c[nH]nn5)ccc4Cl)n23)cn1,WULMWAKHGYAUGW-UHFFFAOYSA-N,3,1,0.467,4,677,418.848,3.512,5,0.465,0.63,1.0,0.6092454252621479,0.7184994174491125,0.6232523473373998,0.6075834418477143,0.6396451579740936
EOS-3-35979,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cnnc(-c5c(F)ccc(F)c5F)c4)n23)cc1,GHFOPEYZCFJVJE-UHFFFAOYSA-N,3,1,0.447,34,145,477.406,3.818,5,0.384,0.69,1.0,0.8866595846754849,0.7045781646220273,0.8433280789527791,0.7665855664450689,0.8002878486738401
EOS-3-35980,Cc1cnc(-c2nc(C)ccc2-c2nnc3cncc(OCCc4ccccn4)n23)cn1,TUYSHJSZDVERQO-UHFFFAOYSA-N,3,1,0.57,87,796,424.468,3.277,5,0.409,0.59,0.999,0.4720118566239463,0.4331779864299911,0.12359502433006649,0.09044959221437873,0.27980861489959563
EOS-3-35981,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)cnn2)nn1,VWJZCQVHIXFTNU-UHFFFAOYSA-N,3,1,0.444,53,226,432.835,2.369,5,0.381,0.56,1.0,0.5835703515865944,0.5503649509971901,0.16279727229113838,0.16328558700568843,0.3650045404701528
EOS-3-35982,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(-c3cnc(C(F)F)nc3)n12,ALEPNEDOCRNGSB-UHFFFAOYSA-N,3,1,0.36,82,478,424.411,5.054,5,0.404,0.77,1.0,0.3577804811184977,0.5315348502501542,0.8904375985196354,0.882556027688301,0.6655772393941471
EOS-3-35983,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)nc1F,FOJXLDRVKJNZCI-UHFFFAOYSA-N,3,1,0.418,31,954,451.853,2.791,5,0.362,0.63,0.992,0.57491775752176,0.5363323281474882,0.18538825303269138,0.23995099719004867,0.38414733397299705
EOS-3-35984,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)cn1,DYQVRMDBIYDQAG-UHFFFAOYSA-N,3,1,0.407,46,157,451.824,4.154,5,0.371,0.65,1.0,0.7582156808991845,0.7549174148447674,0.8784867384003838,0.8825645946131176,0.8185461071893633
EOS-3-35985,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccns5)nn4)n23)cc1,IUKRLORDMAWKPA-UHFFFAOYSA-N,3,1,0.3,98,890,427.457,2.291,6,0.421,0.6,1.0,0.0039065177164005205,0.018016242889452402,0.05545370433829073,0.0741981358371599,0.03789365019532589
EOS-3-35986,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)nc1,IBQNOVBOGODQKD-UHFFFAOYSA-N,3,1,0.5,24,199,451.824,4.154,5,0.371,0.66,1.0,0.9038619697073539,0.8320540058940443,0.8531029401685971,0.854782057432664,0.8609502433006648
EOS-3-35988,CCn1c(-c2cccc(F)n2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,DYARZEPQAFTLOP-UHFFFAOYSA-N,3,1,0.31,8,474,464.468,3.728,6,0.355,0.67,0.776,0.17312041669522307,0.2378949352340484,0.07558597765746009,0.16604413679665547,0.16316136659584674
EOS-3-35989,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)on2)c(F)n1,SYDRVJCYPWFROI-UHFFFAOYSA-N,3,1,0.444,55,283,442.773,3.142,5,0.378,0.64,0.983,0.8249777259954767,0.8424970872455624,0.4540384483585772,0.5112055376602015,0.6581796998149545
EOS-3-35990,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ncccn5)c4)n23)nc1,JRHOKIADIFMJEG-UHFFFAOYSA-N,3,1,0.382,52,647,482.935,3.78,6,0.392,0.73,1.0,0.16240319374957166,0.21259680625042834,0.1953087519703927,0.302506682201357,0.21820385854293742
EOS-3-35991,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4F)n23)nn1,GOBCEZRMVCUBDN-UHFFFAOYSA-N,3,1,0.291,99,356,469.419,2.779,6,0.383,0.59,0.404,0.21229696388184496,0.2327804811184977,0.22691213761908025,0.3372369954081283,0.2523066445068878
EOS-3-35992,Cc1nc(C)c(CCOc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)c(Cl)n1,FRVAKKWSAKTGSA-UHFFFAOYSA-N,3,1,0.543,15,187,461.917,3.269,5,0.354,0.67,1.0,0.7225515728873964,0.5982711945719964,0.09195737098211226,0.10036152422726338,0.37828541566719204
EOS-3-35993,COc1cc(F)ccc1-c1nnc2cncc(-c3ccc(-c4ccccc4Cl)nc3)n12,JJMMFRZCZPKDSS-UHFFFAOYSA-N,3,1,0.407,96,533,431.858,5.321,5,0.385,0.81,1.0,0.4843567952847646,0.6310568158453841,0.9208673154684395,0.9308906175039408,0.7417928860256322
EOS-3-35994,Cc1ncccc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)nn1C,XCUPONLYHQWYQC-UHFFFAOYSA-N,3,1,0.511,95,752,463.904,4.309,5,0.373,0.69,1.0,0.4482643410321431,0.47717771228839695,0.5894472620108286,0.6075920087725311,0.530620331025975
EOS-3-35995,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)cc1,PEZQYQXETVCOCB-UHFFFAOYSA-N,3,1,0.312,9,57,448.465,4.455,6,0.37,0.68,1.0,0.15413611130148722,0.2229370845041464,0.711860050716195,0.6775409499006236,0.44161854910561305
EOS-3-35996,COc1ncc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1ccccn1,LLXQXQDYAVFPHF-UHFFFAOYSA-N,3,1,0.663,11,73,458.909,4.532,5,0.354,0.75,1.0,0.7195360153519292,0.7370125419779316,0.592634158042629,0.5640977314783086,0.6533201117126995
EOS-3-35997,OCc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)cn1,HJVZISMBLHURPQ-UHFFFAOYSA-N,3,1,0.527,75,496,443.442,2.896,5,0.409,0.59,1.0,0.6831094510314577,0.5890446165444452,0.6142228085806319,0.5377887053663217,0.6060413953807141
EOS-3-35998,Fc1cccnc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc(Cl)n1,MOMGJHSMEOOGGE-UHFFFAOYSA-N,3,1,0.44,73,196,469.267,4.063,5,0.355,0.7,0.995,0.834666917963128,0.7803783153999041,0.5471266534164896,0.6542217805496539,0.7040984168322939
EOS-3-35999,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cn5)n34)cn2)cc1F,GCXQBCGOLWTPBO-UHFFFAOYSA-N,3,1,0.349,98,968,480.467,3.254,6,0.366,0.73,1.0,0.245074018230416,0.3246693167020766,0.35858577205126446,0.3212939483243095,0.3124057638270167
EOS-3-36000,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cc2)cc1,MQDVGJDFIQQEAU-UHFFFAOYSA-N,3,1,0.373,93,651,417.432,4.57,6,0.415,0.78,1.0,0.20407271605784388,0.160124391748338,0.5737783565211432,0.6165872798300323,0.3886406860393393
EOS-3-36001,Fc1cnc(-c2ncccn2)cc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,PGRIAAKCTYSHMV-UHFFFAOYSA-N,3,1,0.454,27,242,450.384,3.694,5,0.386,0.63,1.0,0.8886899458570352,0.8943012816119525,0.7686501953258859,0.680496538962374,0.8080344904393119
EOS-3-36002,COCc1cc(C)c(C)cc1-c1nnc2cncc(-c3ccc(-c4cnc(F)cn4)cn3)n12,VQDJNKDRHULTJL-UHFFFAOYSA-N,3,1,0.31,82,274,441.47,4.213,5,0.403,0.62,0.965,0.34377355904324586,0.3582345281337811,0.6554982523473374,0.5314663148516209,0.4722431635939963
EOS-3-36003,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cc(F)ncc5F)c4)n23)cn1,NOFMNRGCWGXANQ-UHFFFAOYSA-N,3,1,0.408,55,875,475.419,2.255,5,0.367,0.66,0.988,0.6092539921869645,0.42858611472825714,0.3960575011993695,0.30251524912617367,0.43410321431019117
EOS-3-36004,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(F)c1,OZBBOESVGIATME-UHFFFAOYSA-N,3,1,0.329,69,867,447.477,5.06,6,0.378,0.74,1.0,0.28790864231375507,0.32896991296004385,0.7778339387293537,0.7691042423411693,0.5409541840860805
EOS-3-36005,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)c1,FYMKEUVOKBVYFD-UHFFFAOYSA-N,3,1,0.506,55,390,423.408,3.562,5,0.399,0.64,1.0,0.5556164759098075,0.6847200328969913,0.5958210540744294,0.5768367486806936,0.6032485778904805
EOS-3-36006,Clc1ccc(OCc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)nc1,RSSWHEUNJADALF-UHFFFAOYSA-N,3,1,0.38,24,747,415.844,3.876,5,0.43,0.73,1.0,0.4795336166129806,0.5641662668768419,0.4135682955246385,0.4580049345486944,0.47881827839078883
EOS-3-36007,Cc1c[nH]c(-c2ccc(F)cc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,WQPCIXYMZURQDD-UHFFFAOYSA-N,3,1,0.649,34,372,434.862,4.861,5,0.427,0.72,1.0,0.959589815639778,0.9563943526831609,0.8590655198409979,0.8696885066136659,0.9111845486944006
EOS-3-36008,c1ccc(-c2ncncc2-c2nnc3cncc(OCc4cccc(-c5cncnn5)c4)n23)cc1,QGBZRFGFMHAQKI-UHFFFAOYSA-N,3,1,0.467,77,363,459.473,3.679,6,0.368,0.65,1.0,0.43414604893427455,0.2840963607703379,0.417397710917689,0.4232317867178398,0.3897179768350353
EOS-3-36009,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,IWBWKGRCZYURBH-UHFFFAOYSA-N,3,1,0.494,20,931,413.445,2.481,5,0.4,0.73,1.0,0.2825286135288877,0.14480673017613596,0.047803440477006374,0.04518196148310603,0.13008018641628402
EOS-3-36010,Clc1ccnc(COc2cncc3nnc(-c4ccccc4COc4ccccc4)n23)n1,OAWQLJBDKKKWAU-UHFFFAOYSA-N,3,1,0.506,1,881,444.882,4.393,5,0.344,0.74,1.0,0.6493472003289699,0.684728599821808,0.5737869234459598,0.5833390446165444,0.6228004420533205
EOS-3-36011,N#Cc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,ZMGCHSKVLOTDND-UHFFFAOYSA-N,3,1,0.522,11,848,453.893,4.395,5,0.351,0.7,1.0,0.8753683777671167,0.9179031594818724,0.7778425056541703,0.7992512507710232,0.8425913234185456
EOS-3-36012,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4nncs4)c3)n12,BEGJAJJYFZCUJB-UHFFFAOYSA-N,3,1,0.477,72,55,439.863,4.076,5,0.381,0.68,1.0,0.7437204441093825,0.7416215475292989,0.6719810156946062,0.697519018573093,0.7137105064765952
EOS-3-36013,COc1ccc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(C)nc3F)n12,DSSLIDMVVLAZQO-UHFFFAOYSA-N,3,1,0.429,4,617,444.43,3.073,5,0.365,0.62,0.995,0.6066410801178809,0.6457233911315194,0.28136351175382085,0.18795833047769173,0.43042157837022826
EOS-3-36014,COc1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1cnco1,XOPIHJIFWROBQB-UHFFFAOYSA-N,3,1,0.478,15,83,417.429,3.076,5,0.415,0.71,1.0,0.2638184497292852,0.17218662189020628,0.2813720786786375,0.13817593036803508,0.21388827016654102
EOS-3-36015,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cccnc5F)ccn4)n23)c1Cl,QSAJFXKTORKNIT-UHFFFAOYSA-N,3,1,0.392,46,160,447.861,4.323,5,0.37,0.67,1.0,0.7467788362689329,0.6507864436981701,0.7477983003221164,0.7408076896717154,0.7215428174902337
EOS-3-36016,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)nc1,IILCADBUDQKRTL-UHFFFAOYSA-N,3,1,0.576,90,683,406.421,2.697,4,0.507,0.86,1.0,0.46478137207867865,0.13743060790898498,0.3102340483859914,0.23710677815091494,0.2873882016311425
EOS-3-36017,Cc1cc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n(C)n1,YQDVOPBLAGMKNN-UHFFFAOYSA-N,3,1,0.615,43,372,448.889,4.872,5,0.383,0.73,1.0,0.8223048454526763,0.9010091837434034,0.8590740867658145,0.8514752244534302,0.8584658351038311
EOS-3-36018,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4cnc(Cl)nc4)n23)n1C,QBJFCZZMXLWPHS-UHFFFAOYSA-N,3,1,0.355,50,844,420.839,3.75,5,0.413,0.69,0.989,0.21230553080666165,0.3866253169762182,0.37383489822493315,0.4824977725995477,0.36381587965184015
EOS-3-36019,Cc1nc(-c2cc(F)ccn2)c(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)s1,DJCLSPKUMPFZLW-UHFFFAOYSA-N,3,1,0.311,10,195,454.494,4.61,6,0.387,0.69,0.942,0.005114454115550682,0.06409773147830855,0.2737560825166198,0.3757710232335001,0.1796848228359948
EOS-3-36020,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)n2)cc1Cl,DMVPMAGJVMTZOP-UHFFFAOYSA-N,3,1,0.267,10,957,469.871,4.289,6,0.379,0.67,1.0,0.03375368377767117,0.20764512370639435,0.6585309437324378,0.7461020492084162,0.41150795010622987
EOS-3-36021,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nc2)n1,VYJASDNUSIPRQQ-UHFFFAOYSA-N,3,1,0.448,11,162,447.861,4.057,5,0.362,0.62,1.0,0.7815948187238709,0.8389503803714619,0.5958296209992461,0.6399921184291687,0.7140917346309369
EOS-3-36022,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccccc4-c4ccccc4)n23)nc1,GLFJJRQGALOBPH-UHFFFAOYSA-N,3,1,0.343,30,651,429.487,4.921,6,0.398,0.74,1.0,0.17583613186210678,0.07143958604619285,0.5471352203413062,0.5862603659790282,0.3451678260571585
EOS-3-36023,Fc1cncc(COc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)c1F,FVTPKZJLIOEDOX-UHFFFAOYSA-N,3,1,0.453,2,491,418.367,2.896,5,0.429,0.62,1.0,0.7843105338907546,0.6362055376602015,0.6411829209786855,0.6043023096429305,0.666500325543143
EOS-3-36024,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nc2)s1,OUJBXAIZZBYMNU-UHFFFAOYSA-N,3,1,0.451,31,578,434.46,3.169,5,0.376,0.62,1.0,0.6038139949283805,0.5687752724282091,0.17887739017202384,0.17147556713042286,0.38073555616475907
EOS-3-36025,Cc1ccc(COc2cncc3nnc(-c4nc(-c5ccc(Cl)nc5)no4)n23)c(C)n1,KBRYAPXDXFRXBI-UHFFFAOYSA-N,3,1,0.415,7,85,434.847,3.481,5,0.383,0.67,1.0,0.4745562332944966,0.44177917894592555,0.1596532108834213,0.15825680213830443,0.30856135631553694
EOS-3-36026,Cn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3ccc(-c4cccc(F)n4)nc3)n12,SOKHARCRXVWJKS-UHFFFAOYSA-N,3,1,0.317,8,474,468.431,3.384,6,0.362,0.65,0.855,0.165153176615722,0.30449420875882394,0.2521759989034336,0.34358508669727916,0.2663521177438147
EOS-3-36027,Fc1nc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5)c4)n23)cs1,DTQFEMRYOXWJDR-UHFFFAOYSA-N,3,1,0.554,11,275,452.902,4.724,5,0.371,0.76,1.0,0.910047289424988,0.9140651771640053,0.617341169213899,0.6889949283805086,0.7826121410458502
EOS-3-36028,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3cc(-c4cccnn4)ncn3)n12,OIVOTMWMYIIZTG-UHFFFAOYSA-N,3,1,0.433,27,633,450.384,3.694,5,0.386,0.61,0.999,0.7287368926050305,0.8553046398464808,0.8337074223836611,0.7877630045918717,0.801377989856761
EOS-3-36029,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)n1C,QTBUYRKBXRVVSS-UHFFFAOYSA-N,3,1,0.352,93,553,444.502,4.624,6,0.394,0.69,1.0,0.11860907408676581,0.07496059214584333,0.26624288945240215,0.2871547529298883,0.1867418271537249
EOS-3-36030,Cc1nc(F)ccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)ncn1,ZSYMLZLPGPRBBY-UHFFFAOYSA-N,3,1,0.384,46,128,448.849,3.718,5,0.375,0.63,0.999,0.6463744774175861,0.7677763689945857,0.509646357343568,0.5112141045850181,0.6087528270851895
EOS-3-36031,CCn1c(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cn2)nc(C)c1C,DWECNZFVINRHLR-UHFFFAOYSA-N,3,1,0.427,55,565,444.474,3.8,5,0.368,0.69,1.0,0.4869011719553149,0.44178774587074227,0.16588136522513877,0.13374683023781783,0.3070792783222534
EOS-3-36032,Fc1ccc(-c2ccc(Cc3cncc4nnc(-c5ncccc5Cl)n34)nc2)s1,FKFGKRJURFRAQP-UHFFFAOYSA-N,3,1,0.347,85,81,422.876,4.693,5,0.42,0.71,1.0,0.3268453156055102,0.40114625454047015,0.6142313755054486,0.7300990336508807,0.5180804948255774
EOS-3-36033,Fc1cc(COc2cncc3nnc(-c4cncc(-c5cccnc5F)c4)n23)cnc1Cl,VBUFOJDSLLPJSR-UHFFFAOYSA-N,3,1,0.461,2,419,451.824,4.154,5,0.371,0.67,1.0,0.8488623123843465,0.8208656020834761,0.8892981975190186,0.8867623877732849,0.8614471249400315
EOS-3-36034,CCn1c(-c2nnco2)cnc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)nc3)n12,RKECSJGSMNSYBL-UHFFFAOYSA-N,3,1,0.281,99,754,453.47,2.829,6,0.386,0.56,0.998,0.15949900623672128,0.07144815297100952,0.02122883969570283,0.015703173188952094,0.06696979302309643
EOS-3-36035,Cc1cnc(C)c(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)c1,ZAYFQVCDEHWCEK-UHFFFAOYSA-N,3,1,0.457,75,183,443.898,4.493,5,0.369,0.71,1.0,0.5749263244465767,0.5937649921184291,0.6258652594064834,0.5609279692961414,0.5888711363169077
EOS-3-36036,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)n1,YRNKXGQBYAFYFH-UHFFFAOYSA-N,3,1,0.31,3,289,456.922,4.816,6,0.378,0.72,1.0,0.045310465355356044,0.23278904804331438,0.40321945034610374,0.5377972722911384,0.30477905900897817
EOS-3-36037,Fc1ccc(F)c(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)c2)c1,NZQZWYNVJJKGJA-UHFFFAOYSA-N,3,1,0.478,88,503,464.863,4.801,5,0.359,0.75,1.0,0.8576691110958811,0.82481495442396,0.9094647385374546,0.9308991844287574,0.8807119971215133
EOS-3-36038,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,XKZPOSCYPDNPFE-UHFFFAOYSA-N,3,1,0.571,35,619,415.432,3.347,5,0.423,0.7,1.0,0.7162805839215955,0.5641748338016586,0.5131416626687684,0.47041840860804607,0.5660038722500171
EOS-3-36039,Cc1csc(COc2cncc3nnc(-c4cc(-c5ncc(Cl)c(C)n5)ncn4)n23)n1,JJGGGQMGYGULTM-UHFFFAOYSA-N,3,1,0.418,7,395,451.903,3.344,5,0.396,0.65,0.96,0.4276951545473237,0.4417963127955589,0.046278527859639505,0.05181276129120691,0.24189568912343226
EOS-3-36040,Clc1cnc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccnn5)nn4)n23)nc1,VQXYWIYSRJSCIX-UHFFFAOYSA-N,3,1,0.25,86,953,455.833,1.729,6,0.382,0.56,1.0,0.0018247549859502434,0.0676787060516757,0.01947262010828593,0.04937975464327325,0.034588958947296286
EOS-3-36041,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ncccn1,XUHPDJYNXNZWJW-UHFFFAOYSA-N,3,1,0.447,31,235,417.408,2.137,5,0.413,0.67,1.0,0.45077445000342675,0.28929648413405523,0.09196593790692893,0.10457645123706394,0.23415333082036874
EOS-3-36042,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)nn1,OEFHEIGYXFTLDF-UHFFFAOYSA-N,3,1,0.483,4,534,416.42,3.008,5,0.435,0.66,1.0,0.49424302652319924,0.49551093139606606,0.4322099239257076,0.3595624014803646,0.4453815708313344
EOS-3-36043,Clc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)n1,WBDZZFKQVFIUOV-UHFFFAOYSA-N,3,1,0.551,87,173,429.871,3.918,5,0.378,0.64,1.0,0.6891491330272086,0.7416301144541155,0.47475327256528,0.5179819751901857,0.6058786238091974
EOS-3-36044,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)n(C)n5)n34)c2)cn1,LDRAWGHLEOWKBF-UHFFFAOYSA-N,3,1,0.444,92,36,433.863,2.918,5,0.416,0.6,1.0,0.30398876019464055,0.4418048797203756,0.23422829141251456,0.2166832293879789,0.29917629017887737
EOS-3-36045,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)c2)cn1,VJGKZYDLSCZCJW-UHFFFAOYSA-N,3,1,0.524,59,623,452.852,4.702,5,0.361,0.74,1.0,0.6771383044342403,0.7416386813789322,0.9463367829483929,0.9402971009526421,0.8263527174285519
EOS-3-36046,Clc1ccc(COCc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nn5)c4)n23)cn1,ZEEGINXDVHDPTK-UHFFFAOYSA-N,3,1,0.469,24,920,465.304,4.062,5,0.346,0.72,1.0,0.41822870262490575,0.36272359673771504,0.5990936193543965,0.6629771777122884,0.5107557741073264
EOS-3-36047,Cn1ccnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)c1,LNFXKEQCYYYKLW-UHFFFAOYSA-N,3,1,0.479,77,763,466.48,4.3,6,0.393,0.66,1.0,0.7496744568569667,0.5788499760126106,0.7016911109588102,0.6458433280789527,0.6690147179768351
EOS-3-36048,FC(F)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cn4)n23)cc1,BBZSHNZQWVDWHB-UHFFFAOYSA-N,3,1,0.367,14,357,415.407,4.172,5,0.429,0.73,1.0,0.3599050784730313,0.35824309505859775,0.8481855253238297,0.822416215475293,0.597187478582688
EOS-3-36049,COCc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)s1,VQEFAHIPTQCSOE-UHFFFAOYSA-N,3,1,0.495,4,617,466.914,3.479,5,0.355,0.67,1.0,0.42770372147214036,0.5687838393530258,0.12918065931053388,0.16605270372147213,0.322930230964293
EOS-3-36050,Cc1nnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c2)s1,VQHGIKRWTIZGNY-UHFFFAOYSA-N,3,1,0.517,37,795,468.905,3.822,5,0.37,0.65,1.0,0.6584452744842711,0.6897745185388253,0.19531731889520937,0.2723511068466863,0.453972054691248
EOS-3-36051,N#Cc1nc(Cc2cncc3nnc(-c4nccnc4-c4cnc(CF)cn4)n23)ccc1F,FEJZMSIOEKCQGB-UHFFFAOYSA-N,3,1,0.307,85,674,442.393,2.504,5,0.403,0.54,0.927,0.31696765129189225,0.3438592282914125,0.2198187238708793,0.26674833801658554,0.2868484853676924
EOS-3-36052,Cn1nccc1-c1cnnc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,KRSGCBQFRXLLHA-UHFFFAOYSA-N,3,1,0.374,51,924,420.824,2.004,5,0.42,0.58,1.0,0.3462751010897128,0.3095915290247413,0.1067181824412309,0.12525700774450002,0.22196045507504625
EOS-3-36053,O=C(NCCO)c1cc(-c2cncc3nnc(-c4ccc(F)cn4)n23)nc(-c2ccc(F)nc2)n1,IXALHGMVADBUCJ-UHFFFAOYSA-N,3,1,0.315,50,155,475.419,1.706,5,0.351,0.67,0.993,0.2690699746419025,0.1564577479268042,0.16922246590363924,0.18520834761154137,0.19498963402097183
EOS-3-36054,COc1ncc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)cc1-c1ccnc(F)c1,HRDZQGPBUZINHE-UHFFFAOYSA-N,3,1,0.43,7,535,444.43,3.073,5,0.365,0.64,1.0,0.6038225618531972,0.5271485847440203,0.392253786580769,0.2547118086491673,0.4444841854567884
EOS-3-36055,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C(F)F)nc4)n23)cn1,JIUMFWKEAQZHPB-UHFFFAOYSA-N,3,1,0.31,86,812,471.435,3.302,6,0.376,0.63,0.984,0.1818672469330409,0.1766585566445069,0.29589301624288944,0.2607172229456514,0.22878401069152215
EOS-3-36056,CCCc1ccc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)c(OC)c4)n23)nn1,MYMUJZVETYCQEG-UHFFFAOYSA-N,3,1,0.449,36,638,457.498,2.917,5,0.346,0.64,1.0,0.20685696662326092,0.11653587828113221,0.08482968953464465,0.04262901788773902,0.1127128880816942
EOS-3-36057,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(C)s5)n34)c(Cl)c2)nn1,SRYYUGORTCEPSR-UHFFFAOYSA-N,3,1,0.512,4,677,449.927,4.554,5,0.388,0.7,1.0,0.4576108560071277,0.6457319580563361,0.31790144609690907,0.33078610102117745,0.4380075902953876
EOS-3-36058,Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nc(CO)c1F,BUZSPOAHCHIYBE-UHFFFAOYSA-N,3,1,0.439,18,181,457.469,3.205,5,0.397,0.59,1.0,0.49944314988691657,0.34851106846686314,0.5024587074223836,0.420053457610856,0.44261659584675483
EOS-3-36059,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccccn4)n23)cc1,VUFXDTDXXDBKNE-UHFFFAOYSA-N,3,1,0.5,40,415,462.477,3.018,6,0.367,0.59,1.0,0.4206617092728394,0.2433177986429991,0.12918922623535056,0.12068226989239943,0.2284627510108971
EOS-3-36060,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccncc5Cl)n4)n23)cn1,CIGOTBCRMQKFEM-UHFFFAOYSA-N,3,1,0.368,14,81,448.317,4.849,5,0.391,0.67,0.997,0.3462836680145295,0.39131999177575216,0.6802480981426907,0.7641268590226852,0.5454946542389144
EOS-3-36061,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5nc(Cl)ccc5Cl)n34)c2)nc1,HTXFBEBYCGTQEL-UHFFFAOYSA-N,3,1,0.433,2,491,469.267,4.063,5,0.355,0.73,1.0,0.6738914399287231,0.7847131793571379,0.6258738263313001,0.7142930573641286,0.6996928757453225
EOS-3-36062,Cn1nc(-c2ccnc(F)c2)nc1CCc1cncc2nnc(-c3ccc(Cl)cc3F)n12,WTNKWUMGGIJZEL-UHFFFAOYSA-N,3,1,0.379,22,487,452.856,3.699,5,0.378,0.71,0.989,0.3390531834692619,0.5454732369268728,0.33263655678157766,0.5279710095264204,0.43628349667603317
EOS-3-36063,Cn1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncccc5F)c4)n23)n1,YZYREEBYLKAOHT-UHFFFAOYSA-N,3,1,0.494,75,583,416.42,2.742,5,0.42,0.7,1.0,0.5324772119799877,0.4242084161469399,0.2554399972585841,0.24556233294496607,0.36442198958261945
EOS-3-36064,COc1ccc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cn1,VYNSQJMEJYFHCU-UHFFFAOYSA-N,3,1,0.295,42,957,448.446,3.974,6,0.386,0.62,1.0,0.242469673086149,0.11075320402988144,0.3813138235898842,0.3120416695223083,0.26164459255705574
EOS-3-36065,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)nn1C,IQGGQSIZGLPUBY-UHFFFAOYSA-N,3,1,0.457,95,998,418.436,3.126,5,0.421,0.67,1.0,0.359913645397848,0.2687615653485025,0.30308066616407375,0.29331437187307247,0.30626756219587414
EOS-3-36066,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(Cl)nc5)n4)n23)cc1,UZBIYWFHZXUICW-UHFFFAOYSA-N,3,1,0.302,39,527,470.859,3.684,6,0.358,0.67,0.958,0.029941402234253994,0.1892690699746419,0.34331951202796246,0.4977468987732164,0.26506922075251865
EOS-3-36067,Cc1cccc(-c2ncsc2-c2cncc3nnc(-c4nccnc4-c4ncccn4)n23)n1,RKMSHDPVBLINJP-UHFFFAOYSA-N,3,1,0.253,86,114,450.491,3.532,6,0.397,0.62,0.814,0.032605715852237684,0.034970187101637996,0.031971763415804266,0.041472483037488864,0.0352550373517922
EOS-3-36068,Fc1cnccc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,VPKHHKXASPQZIL-UHFFFAOYSA-N,3,1,0.57,35,352,446.873,4.662,5,0.353,0.74,1.0,0.8866681516003015,0.908034062093071,0.8635374545952985,0.8769446919333836,0.8837960900555137
EOS-3-36069,CCn1c(-c2nc(C)cs2)nnc1-c1cncc2nnc(-c3ccc(-c4cnnn4C)cn3)n12,LIZWSEQWCBSEOF-UHFFFAOYSA-N,3,1,0.253,99,754,470.526,2.692,6,0.373,0.65,0.666,0.025272428209170035,0.034978754026454666,0.003983620039750531,0.0030155575354670686,0.016812589952710573
EOS-3-36070,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)ccnc1Cl,HXPLDKDZOSXJFU-UHFFFAOYSA-N,3,1,0.535,72,889,447.861,4.057,5,0.362,0.65,1.0,0.9527705434857103,0.9554519909533274,0.7402936741827154,0.7511308340758002,0.8499117606743883
EOS-3-36071,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)ccn1,ISFDFAGFTSZVIJ-UHFFFAOYSA-N,3,1,0.595,11,595,436.447,4.21,5,0.371,0.7,1.0,0.9158470975258721,0.9034421903913371,0.727563223905147,0.7087416900829279,0.8138985504763211
EOS-3-36072,Cc1nc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cs1,NGAFWVVUEKZCJU-UHFFFAOYSA-N,3,1,0.449,44,348,452.902,4.99,5,0.374,0.78,1.0,0.710283736549928,0.7185079843739292,0.7248389418134467,0.7408162565965322,0.723611729833459
EOS-3-36073,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ncccn4)c(F)n3)n12,KPPSVQABZUGODT-UHFFFAOYSA-N,3,1,0.398,46,242,452.812,3.549,5,0.373,0.62,1.0,0.8600335823452814,0.8013501473511069,0.6499811527654034,0.6716040710026728,0.7457422383661162
EOS-3-36074,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)nc1F,QWMCFBBRYHKAMC-UHFFFAOYSA-N,3,1,0.396,31,814,452.4,3.021,5,0.366,0.6,0.901,0.6434017545062024,0.5454818038516894,0.5926427249674456,0.5737697895963265,0.588824018230416
EOS-3-36075,Cn1ncnc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cn4)ncn3)n12,FFOSCNSMGRZUFM-UHFFFAOYSA-N,3,1,0.358,31,726,420.824,2.004,5,0.42,0.62,0.998,0.3437821259680625,0.372447056404633,0.06701905284079226,0.09839113151942978,0.22040984168322938
EOS-3-36076,CCn1c(-c2cc(C)cs2)nnc1-c1cncc2nnc(-c3cnc(OC)nc3)n12,LHEUFYQBYGAIDB-UHFFFAOYSA-N,3,1,0.28,50,489,419.474,2.905,5,0.428,0.67,0.999,0.07502056061956,0.07496915907066,0.007247618394900966,0.004249194709067233,0.04037163319854705
EOS-3-36077,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nc4)n23)c(F)c1F,DIMOZMUBCQIDMT-UHFFFAOYSA-N,3,1,0.512,59,89,439.422,4.911,5,0.364,0.78,1.0,0.8904804331437187,0.8492392570762799,0.9426787060516757,0.9297426495785073,0.9030352614625454
EOS-3-36078,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cnn1,ZERXLMWUMHYMDA-UHFFFAOYSA-N,3,1,0.394,53,382,419.836,2.609,5,0.427,0.6,0.999,0.537677335343705,0.5089353025837845,0.18850661366595847,0.22832568021383046,0.36586123295181966
EOS-3-36079,COc1nc(-c2nncn2C)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,BVPPJLRGFYEVNV-UHFFFAOYSA-N,3,1,0.478,31,180,447.434,2.146,5,0.346,0.63,1.0,0.5454818038516894,0.41517031046535535,0.12621650332396683,0.08850490028099513,0.2938433794805017
EOS-3-36080,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)cc1,DVXMQTPMAAMBGU-UHFFFAOYSA-N,3,1,0.384,93,228,464.92,4.969,6,0.366,0.78,1.0,0.20966691796312795,0.3485196353916798,0.6471283668014529,0.7641354259475018,0.49236258652594056
EOS-3-36081,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)cn1,SYCWOKJKEUJYIY-UHFFFAOYSA-N,3,1,0.456,18,773,432.394,2.938,5,0.377,0.59,1.0,0.8733808512096498,0.754925981769584,0.42490233705708996,0.4104413679665547,0.6159126345007196
EOS-3-36082,COc1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1ccccn1,GBDIHKQAWSRTMJ-UHFFFAOYSA-N,3,1,0.506,97,61,444.882,4.489,5,0.356,0.72,1.0,0.8576776780206977,0.7370211089027483,0.7547289424988006,0.6775495168254403,0.7567443115619217
EOS-3-36083,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)s1,GCTWIZUUTMLKSR-UHFFFAOYSA-N,3,1,0.684,57,11,435.459,5.08,5,0.385,0.82,1.0,0.9171664039476389,0.7719313275306696,0.8847748612158179,0.8564183400726475,0.8575727331916935
EOS-3-36084,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nc(C)n[nH]5)c(C)n4)n23)c(C)n1,PTGUPQVSPGCBDI-UHFFFAOYSA-N,3,1,0.411,31,690,427.472,3.179,5,0.454,0.59,0.994,0.35289733397299705,0.24838941813446644,0.0919745048317456,0.038936673291755194,0.1830494825577411
EOS-3-36085,O=C(NOCc1ccc(F)cc1)c1ccc(-c2nnc3cncc(Cc4ccc(F)cn4)n23)nc1,YXBDCMFUJIDYDL-UHFFFAOYSA-N,3,1,0.376,14,358,473.443,3.312,5,0.362,0.65,0.09,0.31934925639092593,0.20765369063121103,0.677506682201357,0.6196713727640326,0.45604525049688166
EOS-3-36086,Cc1cc(-c2nnc3cncc(COc4ccc(Cl)cn4)n23)cc(-c2cnc(C)o2)n1,INMIIEFKOLUISS-UHFFFAOYSA-N,3,1,0.376,85,351,433.859,4.086,5,0.408,0.65,1.0,0.44127373038174217,0.46829381125351244,0.384980467411418,0.3213025152491262,0.4039626310739497
EOS-3-36087,CCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C)cc1C#N,YTNWHMOKSBTDMB-UHFFFAOYSA-N,3,1,0.456,31,493,451.494,3.037,5,0.37,0.64,1.0,0.2398310602426153,0.11989411280926598,0.237595092865465,0.18521691453635802,0.1956342951134261
EOS-3-36088,COc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ncccc1Cl,WKLSFZJAPZEVSE-UHFFFAOYSA-N,3,1,0.533,35,846,459.897,3.927,5,0.361,0.65,1.0,0.7555599342060174,0.7185165512987458,0.4714036049619629,0.4359365362209581,0.595354156671921
EOS-3-36089,Cc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)cn1,DXWRFRSAUVUDMK-UHFFFAOYSA-N,3,1,0.427,85,886,443.461,4.675,5,0.379,0.7,0.998,0.4092077307929546,0.44181344664519223,0.7589952710575012,0.6975275854979097,0.5768860084983894
EOS-3-36090,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnccc5F)c4)n23)cn1,AWAUKLUMMVHZAJ-UHFFFAOYSA-N,3,1,0.59,88,919,448.408,4.287,5,0.361,0.68,1.0,0.9734339661435131,0.9739479816325132,0.927917894592557,0.9215012679048729,0.9492002775683639
EOS-3-36091,FC(F)c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccncc5)n4)n23)cn1,CSIQLHIMDDWAIF-UHFFFAOYSA-N,3,1,0.446,27,69,421.371,2.679,5,0.412,0.64,0.984,0.2584469878692345,0.320017476526626,0.44680796381330956,0.3631262422040984,0.3470996676033171
EOS-3-36092,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,TVYAWKZEYXPCSU-UHFFFAOYSA-N,3,1,0.478,2,905,432.875,3.697,5,0.403,0.62,0.999,0.39636591049276954,0.4285946816530738,0.4468165307381262,0.4263501473511068,0.4245318175587691
EOS-3-36093,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(-c4nncs4)s3)n12,GYWAFMFXCPKGOO-UHFFFAOYSA-N,3,1,0.523,4,10,445.892,4.138,5,0.401,0.67,1.0,0.6092625591117813,0.842505654170379,0.30657597148927423,0.4547752038928106,0.5532798471660613
EOS-3-36094,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,LQFJBUFZLVELLN-UHFFFAOYSA-N,3,1,0.5,35,846,413.416,3.404,5,0.394,0.78,1.0,0.7287454595298472,0.7185251182235625,0.5570557192790077,0.5477520389281064,0.6380195839901309
EOS-3-36095,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)ncn5)cc4Cl)n23)cc1,RMFRHCLPAAYQTO-UHFFFAOYSA-N,3,1,0.523,1,230,442.91,5.098,5,0.377,0.76,1.0,0.9052926461517373,0.8553132067712974,0.8245750805290932,0.7788105681584538,0.8409978754026455
EOS-3-36096,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)nc1,JEYYYOYOOFYMGQ-UHFFFAOYSA-N,3,1,0.432,18,842,433.382,2.333,5,0.398,0.53,0.701,0.6860650400932081,0.4905849496264821,0.2521845658282503,0.28716331985470495,0.42899946885066137
EOS-3-36097,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)[nH]n2)ccn1,BQSIYTIEFHFGIZ-UHFFFAOYSA-N,3,1,0.381,51,196,437.826,3.068,5,0.43,0.56,0.974,0.42289767664998973,0.35321431019121374,0.3065845384140909,0.33392159550407785,0.354154530189843
EOS-3-36098,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(-c6noc(C)n6)no5)n34)ccn2)nn1,CCTIUWBQMGIWDZ-UHFFFAOYSA-N,3,1,0.473,6,597,468.437,2.877,6,0.353,0.66,0.989,0.3643598793776986,0.24839798505928312,0.046287094784456174,0.03131211020492084,0.1725892673565897
EOS-3-36099,Cc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1ncn(C)n1,FOXUYPNLXLMQKK-UHFFFAOYSA-N,3,1,0.426,46,223,452.4,3.287,5,0.378,0.61,0.994,0.5722877116030429,0.5271571516688369,0.6411914879035021,0.5893273250633952,0.5824909190596943
EOS-3-36100,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)nc1,FSDNNHXVHABXQC-UHFFFAOYSA-N,3,1,0.355,32,572,452.865,4.619,6,0.381,0.7,1.0,0.18448872592694127,0.33871907340141183,0.5704029881433761,0.662985744637105,0.43914913302720854
EOS-3-36101,CCc1nc(-c2nnc3cncc(-c4cc(F)cc(Cl)c4)n23)ccc1-c1ncc(C)cn1,WGEPAUWXWVCKLB-UHFFFAOYSA-N,3,1,0.312,96,155,445.889,4.974,5,0.388,0.72,1.0,0.3193578233157426,0.38663388390103487,0.4920670276197656,0.5802378178329107,0.44457413816736346
EOS-3-36102,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)nc1,JLXCCACXXPFVBN-UHFFFAOYSA-N,3,1,0.43,66,457,474.378,2.414,5,0.423,0.57,0.883,0.3942584469878692,0.3774158727983003,0.82458364745391,0.6371393324652183,0.5583493249263245
EOS-3-36103,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)ccn1,DYPFOBDJZYQHDL-UHFFFAOYSA-N,3,1,0.398,45,680,420.81,4.847,5,0.39,0.8,1.0,0.4026883010074704,0.7549345486944007,0.9432269892399424,0.9633249948598451,0.7660437084504147
EOS-3-36104,COc1ccccc1-c1nc(CF)n(C)c1-c1cncc2nnc(-c3ccc(C)nc3)n12,YLCYARWDIAUAGH-UHFFFAOYSA-N,3,1,0.384,82,336,429.459,4.04,5,0.419,0.69,1.0,0.2768744431498869,0.24332636556781578,0.22692070454389693,0.19594270440682612,0.23576605441710644
EOS-3-36105,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)c1,WQIGHIHEMYSPTD-UHFFFAOYSA-N,3,1,0.585,88,70,464.863,4.801,5,0.359,0.72,1.0,0.9769035706942636,0.9796621204852306,0.9262987458022068,0.9368360633267082,0.9549251250771024
EOS-3-36106,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3ccc(-c4nnco4)nn3)n12,ZLEVVBMUVLZHNO-UHFFFAOYSA-N,3,1,0.461,53,226,440.345,3.287,5,0.392,0.6,1.0,0.752604345144267,0.7761890891645535,0.7043211568775273,0.6716126379274896,0.7261818072784594
EOS-3-36107,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(F)nc5)n34)c(F)cn2)n1,VAYPUQYZOAAEAZ-UHFFFAOYSA-N,3,1,0.444,55,728,422.359,1.629,5,0.389,0.64,1.0,0.5351672263724213,0.4683023781783291,0.22323692687272975,0.2516448495648002,0.36958784524707006
EOS-3-36108,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccn1,MRDUTZFZAIKWBH-UHFFFAOYSA-N,3,1,0.484,75,583,465.851,4.196,5,0.371,0.66,0.999,0.8921681173326023,0.8389589472962785,0.7091443355493112,0.7641439928723186,0.8011038482626276
EOS-3-36109,CC#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cn4)n23)cn1,SOMZCHHVOLXQRZ-UHFFFAOYSA-N,3,1,0.494,92,168,422.452,2.932,5,0.402,0.65,1.0,0.34852820231649645,0.14855904324583646,0.47476183949009665,0.31205023644712493,0.3209748303748886
EOS-3-36110,Fc1cc(F)cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)cc2F)c1,OGQDYXFHKKKRSU-UHFFFAOYSA-N,3,1,0.351,42,287,472.39,4.383,6,0.372,0.71,1.0,0.35992221232266464,0.43762422040984167,0.7846960455075046,0.8205143581659927,0.6006892091015009
EOS-3-36111,Fc1cc(-c2cc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)ccn1,JBIURPSIUSBTJX-UHFFFAOYSA-N,3,1,0.6,97,232,450.836,4.759,5,0.359,0.73,1.0,0.9746590363922967,0.9779316016722637,0.935114111438558,0.942772942224659,0.9576194229319444
EOS-3-36112,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,ZBWKJNGMYLZAQQ-UHFFFAOYSA-N,3,1,0.553,75,583,447.861,4.057,5,0.387,0.61,1.0,0.8712648207799328,0.832062572818861,0.6828781440614077,0.7057775340963608,0.7729957679391406
EOS-3-36113,COc1cc(-c2nnc3cncc(OCc4cccc(C)c4F)n23)ccc1-c1ccnnc1,XOGKARKETNNTSR-UHFFFAOYSA-N,3,1,0.483,43,103,442.454,4.283,5,0.388,0.63,1.0,0.8249862929202934,0.737029675827565,0.8531115070934138,0.7356332670824481,0.7876901857309301
EOS-3-36114,COc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3cc(F)cc(Cl)c3)n12,RSIAVJUCVJABIY-UHFFFAOYSA-N,3,1,0.518,97,16,462.872,4.628,5,0.363,0.73,1.0,0.8092916866561579,0.8055136728120074,0.7754266328558701,0.7461106161332328,0.784085652114317
EOS-3-36115,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ncc(F)c(C)n5)ncn4)n23)cn1,XNPSQOUORUPNTP-UHFFFAOYSA-N,3,1,0.436,7,48,430.407,2.163,5,0.409,0.55,1.0,0.5953327393598794,0.5788585429374272,0.09642073881159618,0.06508292783222534,0.33392373723528207
EOS-3-36116,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cc1F,XTWNXRLBZMKVMQ-UHFFFAOYSA-N,3,1,0.484,84,207,465.851,4.196,5,0.371,0.67,1.0,0.8346754848879446,0.8208741690082928,0.8481940922486464,0.8854002467274347,0.8472859982180796
EOS-3-36117,Cc1nnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c(-c2ccccc2)n1,BSOCRSDCVZHSNK-UHFFFAOYSA-N,3,1,0.347,93,651,442.486,4.681,6,0.391,0.67,1.0,0.10778048111849771,0.11654444520594888,0.38132239051470085,0.4641645534918786,0.2674529675827565
EOS-3-36118,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5cccnc5F)nn4)n23)cc1,VPUWNKIEKNRNRV-UHFFFAOYSA-N,3,1,0.318,10,872,454.404,3.169,6,0.374,0.58,0.999,0.019095675416352546,0.15646631485162085,0.45744808443561097,0.5544256733602906,0.29685893701596877
EOS-3-36119,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ncn2)ccn1,ALLMXENUKOFBES-UHFFFAOYSA-N,3,1,0.424,18,194,446.421,3.268,5,0.375,0.59,1.0,0.6434103214310192,0.48139263929819753,0.5302241107532041,0.4855989993831814,0.5351565177164006
EOS-3-36120,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(F)c1,YWHXMDKHXOMTGJ-UHFFFAOYSA-N,3,1,0.543,43,138,450.424,4.848,5,0.37,0.72,1.0,0.9369560002741416,0.805522239736824,0.9561887464875608,0.927660886848057,0.9065819683366458
EOS-3-36121,c1cnnc(-c2ccnc(-c3nnc4cncc(-c5ccc(-c6cnccn6)s5)n34)c2)c1,LSCUZDQFNQVCIX-UHFFFAOYSA-N,3,1,0.269,76,944,435.476,3.829,6,0.411,0.62,1.0,0.042380577068055654,0.0783188266739771,0.2590295387567679,0.2871718867795216,0.16672520731958057
EOS-3-36122,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4Cl)n23)c1,HGJRPCJXWDRBAW-UHFFFAOYSA-N,3,1,0.446,55,223,442.777,2.272,5,0.407,0.56,0.999,0.6891576999520252,0.7045867315468439,0.41357686244945513,0.4885460215201151,0.5739668288671098
EOS-3-36125,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)no1,LIUIFPLZRDFJOD-UHFFFAOYSA-N,3,1,0.516,65,131,418.392,2.7,5,0.41,0.7,1.0,0.6434188883558358,0.5134243711877184,0.22692927146871358,0.21393324652182852,0.3994264443835241
EOS-3-36126,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnc5)n4)n23)nc1,BMTUNWKKDUCZLM-UHFFFAOYSA-N,3,1,0.349,33,647,483.923,3.175,6,0.39,0.75,0.991,0.11861764101158248,0.18927763689945856,0.10672674936604756,0.1906826125693921,0.1513261599616202
EOS-3-36127,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)c(Cl)c1,ATJDQHDXMUMJOE-UHFFFAOYSA-N,3,1,0.294,10,871,470.859,3.684,6,0.383,0.61,0.394,0.04977383318483997,0.24333493249263244,0.45038037146186005,0.5674216983071757,0.32772770886162705
EOS-3-36128,Cc1cc(-c2cncnc2)cc(-c2cncc3nnc(-c4cnc(-c5cccnc5F)cn4)n23)n1,RUPLPRNQWUCYAS-UHFFFAOYSA-N,3,1,0.25,94,72,462.452,3.61,6,0.362,0.62,0.346,0.20967548488794463,0.2788534027825372,0.4249109039819067,0.4168237269549722,0.33256587965184015
EOS-3-36129,Cc1cc(F)cnc1CCOc1cncc2nnc(-c3cncc(-c4cccc(F)c4)c3)n12,QPLODJHYMSTEDR-UHFFFAOYSA-N,3,1,0.527,84,137,444.445,4.456,5,0.385,0.7,1.0,0.822313412377493,0.7677849359194023,0.75017990542115,0.7641525597971353,0.7761077033787951
EOS-3-36130,N#Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)o1,LOGZTGKXQRYDCR-UHFFFAOYSA-N,3,1,0.494,2,419,430.815,3.34,5,0.385,0.64,1.0,0.6739000068535399,0.665204578164622,0.6232609142622164,0.5833476115413612,0.6364282777054349
EOS-3-36131,Fc1ccccc1-n1nnc(-c2cncc3nnc(-c4nccnc4-c4ccsc4)n23)n1,BKOOCHFCWPXFJC-UHFFFAOYSA-N,3,1,0.276,39,527,442.443,3.092,6,0.409,0.56,0.801,0.023190665478719757,0.11361455691864848,0.06922931944349256,0.1609468165307381,0.09174533959289974
EOS-3-36132,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)n1,NYFIKDJEZFUZOC-UHFFFAOYSA-N,3,1,0.535,24,486,416.832,3.271,5,0.402,0.69,1.0,0.47954218353779726,0.5315434171749709,0.39970701117126994,0.4295627441573573,0.46008883901034886
EOS-3-36133,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)c2)o1,SLQQOWXZXYBHRS-UHFFFAOYSA-N,3,1,0.494,2,419,437.822,3.916,5,0.381,0.66,1.0,0.7613683092317182,0.6557209923925708,0.7016996778836269,0.6486190117195532,0.6918519978068673
EOS-3-36134,Fc1ccncc1CCOc1cncc2nnc(-c3cccc(-c4cnccn4)c3)n12,YJRWHWJPMJLMCT-UHFFFAOYSA-N,3,1,0.547,35,846,413.416,3.404,5,0.421,0.74,1.0,0.8418802686587622,0.7931430333767391,0.6142399424302653,0.5983311630457131,0.7118986018778699
EOS-3-36135,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)nn1,QPVWVSWZOPOSGB-UHFFFAOYSA-N,3,1,0.671,84,360,461.888,4.366,5,0.371,0.69,1.0,0.8397556713042287,0.8671869645671989,0.7524672743472003,0.7461191830580495,0.8013822733191693
EOS-3-36136,c1cnnc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)c1,CWIYOIHKVMJWKA-UHFFFAOYSA-N,3,1,0.228,86,953,432.411,1.952,6,0.402,0.54,0.881,0.048154684394489757,0.03185182646837091,0.0630439997258584,0.08669727914467823,0.05743694743334933
EOS-3-36137,Cc1cnc(COc2cncc3nnc(-c4cc(Cl)c(-c5cncn5C)cc4Cl)n23)cn1,GYMOYFPKVZFFQG-UHFFFAOYSA-N,3,1,0.466,7,212,467.32,4.176,5,0.383,0.68,1.0,0.4482729079569598,0.517947707490919,0.6142485093550819,0.6165958467548489,0.5492662428894524
EOS-3-36138,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnn6)nn5)n34)nc2)nn1,DXMPSYKPTJFFGQ-UHFFFAOYSA-N,3,1,0.261,99,887,454.845,2.334,6,0.39,0.57,0.904,0.0015591803166335413,0.06768727297649235,0.11512233568638201,0.19069117949420875,0.09376499211842917
EOS-3-36139,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)cn5)ncn4)n23)cn1,VMXGLZUDQGPPRW-UHFFFAOYSA-N,3,1,0.467,7,930,467.827,3.603,5,0.369,0.64,0.999,0.6918819820437255,0.8170104859159756,0.5863289013775616,0.5447107806181893,0.659983037488863
EOS-3-36140,N#Cc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc(-c2cnccn2)n1,MZUALYWOIKLNCZ-UHFFFAOYSA-N,3,1,0.505,65,324,439.414,2.671,5,0.392,0.55,0.999,0.8645226509492153,0.8320711397436776,0.4989377013227332,0.4673428825988623,0.6657185936536222
EOS-3-36141,Cn1ccnc1-c1ncc(-c2nnc3cncc(-c4cnnc(-c5ccncc5)c4)n23)cn1,PMFCBNWHQYMJRG-UHFFFAOYSA-N,3,1,0.288,86,780,433.439,2.501,6,0.412,0.53,1.0,0.059985607566308,0.024158727983003222,0.12093927763689946,0.12727880200123365,0.08309060379686109
EOS-3-36142,Cc1nc(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5F)c4)n23)ccc1F,RUNVUCKTCMPGRX-UHFFFAOYSA-N,3,1,0.517,11,275,444.445,4.456,5,0.385,0.67,1.0,0.8957747926804195,0.7969296141457063,0.7376807621136316,0.7247704064149133,0.7887888938386677
EOS-3-36143,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c(Cl)c1,LEAXKNBHLVAOSY-UHFFFAOYSA-N,3,1,0.651,91,70,463.904,4.484,5,0.354,0.74,1.0,0.6346206565691179,0.7185336851483791,0.5402645466383387,0.6138030292646152,0.6268054794051127
EOS-3-36144,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4cc(-c5cocn5)ccn4)n23)c1,ZJOREQUUSBZJSW-UHFFFAOYSA-N,3,1,0.452,80,843,451.45,3.216,6,0.376,0.62,1.0,0.34379069289287917,0.15248269481187032,0.3697484750873826,0.27854499348913714,0.2861417140703173
EOS-3-36145,Cc1cncc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)n1,OSLDDBLYRHIJOK-UHFFFAOYSA-N,3,1,0.483,24,199,414.404,3.065,5,0.432,0.69,1.0,0.6434274552806525,0.5045833047769173,0.3659276266191488,0.32757350421492704,0.4603779727229114
EOS-3-36146,CCn1nc(-c2cc(Cl)ccc2F)nc1-c1cncc2nnc(-c3nnc(C)cc3C)n12,JWSVSXIBTLVWKM-UHFFFAOYSA-N,3,1,0.282,22,844,449.881,3.936,5,0.409,0.59,0.998,0.11311767527928175,0.28410492769515455,0.06702761976560893,0.1660612706462888,0.15757787334658352
EOS-3-36147,Fc1cncc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)c1,VQDBUEPHLHLERF-UHFFFAOYSA-N,3,1,0.641,59,439,450.836,4.759,5,0.384,0.68,1.0,0.6771468713590569,0.8091374820094579,0.9263073127270235,0.9411366595846755,0.8384320814200534
EOS-3-36148,NC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OCCc4cccc(F)n4)n23)c(F)c1,IPGYOYCILCASIU-UHFFFAOYSA-N,3,1,0.406,11,848,473.443,3.247,5,0.36,0.69,0.992,0.41586423137550543,0.2280172709204304,0.536932012884655,0.45478377081762733,0.40889932149955455
EOS-3-36149,OCc1cc(-c2ccc(Cl)cn2)cc(-c2nnc3cncc(OCCc4cnco4)n23)n1,LDJKWGUYEBLERA-UHFFFAOYSA-N,3,1,0.423,18,181,449.858,3.004,5,0.399,0.6,1.0,0.5143667329175519,0.39598896580083615,0.3511668151600302,0.3662446028373655,0.4069417791789459
EOS-3-36150,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5F)nn4)n23)cc1,RCFOGWGRIIKOFQ-UHFFFAOYSA-N,3,1,0.602,67,104,468.456,2.886,6,0.367,0.65,1.0,0.29351997806867247,0.3627321636625317,0.25903810568158453,0.2755208690288534,0.29770277911041054
EOS-3-36151,Clc1ccc(-c2nnc3cncc(Oc4cc(Cl)nnc4-c4ccccc4)n23)cc1,QXSWSUAXFRVYJS-UHFFFAOYSA-N,3,1,0.506,57,480,435.274,5.347,5,0.379,0.83,1.0,0.8829758070043178,0.9480244671372764,0.7847046124323213,0.8728497018710164,0.872138647111233
EOS-3-36152,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccc2F)nc1,QGAUJGUYZHVCTH-UHFFFAOYSA-N,3,1,0.528,97,71,457.856,4.491,5,0.383,0.68,1.0,0.8465321088342129,0.9121376190802549,0.9054896854225207,0.9150418065931053,0.8948003049825234
EOS-3-36153,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3Cl)n12,UZLRQWGLBPMHBG-UHFFFAOYSA-N,3,1,0.489,58,28,446.902,3.565,5,0.368,0.66,1.0,0.41587279830032214,0.5045918717017339,0.17888595709684052,0.1935011308340758,0.3232129394832431
EOS-3-36154,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cn2)cn1,SPRCMGKEFKTEJS-UHFFFAOYSA-N,3,1,0.31,42,57,418.42,3.965,6,0.423,0.67,1.0,0.1541446782263039,0.13034576108560073,0.5670961551641422,0.537805839215955,0.34734810842300046
EOS-3-36155,CCc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)s5)n34)ncn2)n1C,XFDLUXKBOSQPBZ-UHFFFAOYSA-N,3,1,0.346,31,53,461.511,2.284,5,0.389,0.58,0.806,0.21776266191487903,0.12342368583373313,0.01618292097868549,0.00539716263450072,0.0906916078404496
EOS-3-36156,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccc5Cl)c4)n23)cc1,UGCLHKZRZPTZFJ-UHFFFAOYSA-N,3,1,0.6,97,232,449.301,5.134,5,0.37,0.78,1.0,0.9304108697142074,0.9554605578781441,0.8606504009320814,0.9049328353094374,0.9128636659584676
EOS-3-36157,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)cc1,QKGQNJRBOSFRRE-UHFFFAOYSA-N,3,1,0.298,76,541,434.488,4.434,6,0.405,0.67,0.934,0.05650743609074087,0.06769583990130902,0.21292234939346172,0.31527140017819205,0.16309925639092593
EOS-3-36158,Cc1cc(COc2cncc3nnc(-c4cncc(-c5ncc(F)cn5)c4)n23)n(C)n1,UFPHEYZZKFNNBI-UHFFFAOYSA-N,3,1,0.448,92,131,417.408,2.403,5,0.429,0.66,1.0,0.39843053937358647,0.37245562332944965,0.17248646425878966,0.12929202933315057,0.2681661640737441
EOS-3-36159,Cc1nc(COc2cncc3nnc(-c4cc(-c5cncn5C)ccn4)n23)ccc1F,CVBZPVXKXMHENY-UHFFFAOYSA-N,3,1,0.435,7,211,416.42,3.008,5,0.435,0.68,1.0,0.362260982797615,0.27369611404290317,0.4135854293742718,0.31821842231512576,0.3419402371324789
EOS-3-36160,Cn1ncc(-c2cccc(F)c2)c1-c1nnc2cncc(-c3cccc(-c4ccccn4)n3)n12,NBLDBOILKBTDPN-UHFFFAOYSA-N,3,1,0.337,76,126,448.465,4.455,6,0.396,0.63,0.999,0.05290932766774039,0.13743917483380166,0.4643615927626619,0.5477606058529231,0.30061767527928174
EOS-3-36161,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cnc(C)nc1,FLSUBHRPSJTLOU-UHFFFAOYSA-N,3,1,0.412,51,717,458.913,4.142,5,0.374,0.68,0.988,0.5276026317593037,0.5046004386265506,0.34726029744362963,0.3152799671030087,0.42368583373312313
EOS-3-36162,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)n(C)n5)n34)nc2C)n1,IDLDEYGFJMVGJJ-UHFFFAOYSA-N,3,1,0.391,31,690,447.89,3.226,5,0.404,0.62,0.99,0.2935285449934891,0.3724641902542663,0.1441556438900692,0.1272873689260503,0.23435893701596874
EOS-3-36163,Fc1cnc(-c2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)n2cnnc12,CZHZODMVSJADLL-UHFFFAOYSA-N,3,1,0.312,99,968,416.405,2.554,6,0.433,0.63,1.0,0.1929699814954424,0.3045027756836406,0.07120827907614283,0.14045473236926873,0.17728394215612364
EOS-3-36164,COc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cn1,ZRTVCEGLEFYLIU-UHFFFAOYSA-N,3,1,0.388,63,437,405.393,2.288,5,0.543,0.89,0.997,0.38300150777876774,0.3336474539099445,0.15027242820917003,0.16606983757110547,0.2582478068672469
EOS-3-36165,FCc1nc(OCC(F)F)nc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)n1,QOLGVMOOJNAJNR-UHFFFAOYSA-N,3,1,0.272,68,542,457.298,2.566,4,0.403,0.54,0.057,0.42533925022274005,0.4104499348913714,0.655506819272154,0.5179905421150024,0.5023216366253169
EOS-3-36166,CCn1c(-c2ccccc2C)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,NPWBTYAWZPACFR-UHFFFAOYSA-N,3,1,0.337,8,474,459.517,4.502,6,0.374,0.71,1.0,0.07123397985059284,0.07832739359879377,0.11808649167294907,0.1609553834555548,0.10715081214447261
EOS-3-36167,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)nc4)n23)c1Cl,DHSKWELHELGJJE-UHFFFAOYSA-N,3,1,0.516,65,981,446.902,3.565,5,0.393,0.6,1.0,0.5953413062846961,0.6078318826673977,0.39971557809608665,0.36625316976218214,0.49228548420259066
EOS-3-36168,Cc1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cncnn6)c(F)c5)n34)c2)s1,HSGBVTWRWMZSDI-UHFFFAOYSA-N,3,1,0.321,98,424,468.481,3.671,6,0.381,0.63,1.0,0.1818758138578576,0.2635186073607018,0.3251062298677267,0.36626173668699885,0.28419059694332127
EOS-3-36169,Cc1nc(C)n(C)c1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c1,RPTBWWHFBHQTNX-UHFFFAOYSA-N,3,1,0.402,33,348,472.484,3.021,5,0.402,0.63,0.869,0.4795507504626139,0.23279761496813103,0.2662514563772188,0.16607840449592215,0.2861695565759715
EOS-3-36170,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)no2)nc1,SFOGOCQOQNWCBX-UHFFFAOYSA-N,3,1,0.379,46,94,424.783,3.003,5,0.419,0.6,1.0,0.43904632992940856,0.38213624837228427,0.3360119251593448,0.41369679939688847,0.3927228257144815
EOS-3-36171,CCc1ccc(COc2cncc3nnc(-c4ccc(-c5sc(C)nc5C)nc4)n23)nn1,QUQIDQMZQQKZJH-UHFFFAOYSA-N,3,1,0.438,4,464,444.524,3.858,5,0.389,0.65,0.998,0.285150092522788,0.3289784798848605,0.04450517442258927,0.023893153313686518,0.17063172503598106
EOS-3-36172,O=C(NC1CCOC1)c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1,JKDXPYPMMBYSMU-UHFFFAOYSA-N,3,1,0.574,63,536,482.903,3.119,5,0.403,0.73,1.0,0.5222997052977864,0.2581214447262011,0.38498903433623466,0.41683229387978893,0.39556061956000277
EOS-3-36173,Cc1ncc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c(-c2ccc(F)cc2)n1,JSCRBBLEPSAHBL-UHFFFAOYSA-N,3,1,0.392,45,102,434.837,5.155,5,0.392,0.75,1.0,0.45078301692824346,0.7138904118977452,0.9188626550613391,0.9451545473236926,0.7571726578027551
EOS-3-36174,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6ccccc6)n5)n34)nc2)cc1,POBJFBCMPQXZPW-UHFFFAOYSA-N,3,1,0.324,30,737,427.471,4.977,6,0.395,0.75,0.999,0.1102306216160647,0.12343225275854978,0.5131502295935851,0.5833561784661778,0.33254232060859434
EOS-3-36175,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)cs1,ULLIVGLHHJUSDW-UHFFFAOYSA-N,3,1,0.29,70,957,442.533,4.439,6,0.401,0.66,1.0,0.036469398944554865,0.06001987526557467,0.21621204852306217,0.26957542320608596,0.14556918648481942
EOS-3-36176,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)ccn1,YGIQCYNPFLYYBN-UHFFFAOYSA-N,3,1,0.551,65,262,420.82,2.906,5,0.382,0.72,1.0,0.6831180179562745,0.732360701802481,0.28138064560345416,0.3090603796861079,0.5014799362620794
EOS-3-36177,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)cn1,SDJNOLYSIMKECI-UHFFFAOYSA-N,3,1,0.542,4,401,435.9,4.246,5,0.407,0.68,1.0,0.5980141868274964,0.6847371667466247,0.46805393735864576,0.46735144952367896,0.5545391851141115
EOS-3-36178,Cn1cnnc1-c1ccc(F)c(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4)n23)c1,LOGJXAUFBXEAJM-UHFFFAOYSA-N,3,1,0.366,3,192,466.455,4.594,6,0.378,0.72,1.0,0.20968405181276129,0.4286032485778905,0.7248475087382633,0.7832311013638544,0.5365914776231924
EOS-3-36179,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cc2F)cs1,NXSFBBYSSKCTFX-UHFFFAOYSA-N,3,1,0.518,97,666,436.447,4.475,5,0.378,0.75,1.0,0.8442961414570626,0.7632016311424851,0.780121307655404,0.7301076005756973,0.7794316702076622
EOS-3-36180,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccccn6)c5)n34)cc2)n(C)n1,HVAPYPIXFGDDIJ-UHFFFAOYSA-N,3,1,0.315,69,220,443.514,5.229,6,0.373,0.81,1.0,0.09082653690631211,0.060028442190391336,0.6288379823178671,0.6012781851826469,0.34524278664930436
EOS-3-36181,Cn1nccc1-c1cc(Cl)nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,QAFJOWGIBNZSRS-UHFFFAOYSA-N,3,1,0.415,46,128,453.293,3.868,5,0.373,0.64,1.0,0.43673326022890824,0.5363408950723049,0.5402731135631553,0.592479953395929,0.5264568055650743
EOS-3-36182,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)c(C)n5)n34)cc2)nc1,YZZOEVHTKVUVNY-UHFFFAOYSA-N,3,1,0.476,13,374,413.416,4.192,5,0.436,0.78,1.0,0.7256699335206634,0.6362141045850181,0.4818552532382976,0.4168408608046056,0.5651450380371462
EOS-3-36183,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cnc(C)n1C,WTUBQTBFFIMGGA-UHFFFAOYSA-N,3,1,0.5,16,591,433.497,3.544,5,0.404,0.59,1.0,0.3713504900280995,0.21260537317524503,0.24474847508738262,0.12729593585086696,0.23900006853539854
EOS-3-36184,Cc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3nccc(-c4ccnc(F)c4)n3)n12,DWBZREWUFKHSIF-UHFFFAOYSA-N,3,1,0.281,8,314,464.468,3.553,6,0.364,0.64,1.0,0.2123140977314783,0.23790350215886505,0.31024261531080805,0.30906894661092454,0.267382290453019
EOS-3-36185,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)nc5)cnn4)n23)c(F)c1,YKRSVQBFPYCINO-UHFFFAOYSA-N,3,1,0.396,13,251,421.342,3.853,5,0.407,0.66,1.0,0.6007470358440135,0.6847457336714413,0.8835412240422178,0.8935302583784525,0.7656410629840312
EOS-3-36186,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4ccc(F)c(C)n4)n23)n1,PCAHVPDUGFBLFY-UHFFFAOYSA-N,3,1,0.394,44,531,460.448,3.555,5,0.379,0.63,0.988,0.6648790350215886,0.5089438695086012,0.33602049208416146,0.3120588033719416,0.4554755499965732
EOS-3-36187,Clc1ccnc(-c2cnc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2Cl)c1,JYYLXJIXMRDHRM-UHFFFAOYSA-N,3,1,0.506,18,393,464.316,4.572,5,0.364,0.68,1.0,0.7467874031937496,0.7719398944554863,0.6965166883695428,0.7761890891645535,0.7478582687958331
EOS-3-36189,Fc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1nc[nH]n1,OHWOHDYSVSVJOW-UHFFFAOYSA-N,3,1,0.565,47,164,422.811,3.343,5,0.462,0.55,1.0,0.6617435405386882,0.7416472483037488,0.6412000548283189,0.6834778287985744,0.6820171681173326
EOS-3-36190,Fc1cnc(-c2ncccn2)c(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)c1,VEPQMYSSBFHMAI-UHFFFAOYSA-N,3,1,0.297,85,362,454.351,2.577,5,0.377,0.57,1.0,0.34853676924131316,0.42861181550270716,0.42836337468302377,0.3726954972243164,0.3945518641628401
EOS-3-36191,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cnnn5C)c4)n23)cc1,JPCPWTTZWLMRCU-UHFFFAOYSA-N,3,1,0.6,43,250,415.432,3.613,5,0.436,0.71,1.0,0.6434360222054691,0.5641834007264752,0.671989582619423,0.6166044136796656,0.6240533548077583
EOS-3-36192,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)c1,XSVHFIXRGGANRL-UHFFFAOYSA-N,3,1,0.454,26,141,465.439,4.109,5,0.36,0.68,1.0,0.6375419779316017,0.522642382290453,0.7907785621273388,0.7536837776711671,0.6761616750051401
EOS-3-36193,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(Cl)n5)n4)n23)c(F)c1,JVFARAHOXHYBBC-UHFFFAOYSA-N,3,1,0.315,8,765,474.851,2.417,6,0.353,0.67,1.0,0.0712425467754095,0.27886196970735383,0.09906791857994654,0.20770509218011102,0.16421938181070522
EOS-3-36194,Cc1n[nH]c(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1,YLHGSJRRYWLHKH-UHFFFAOYSA-N,3,1,0.415,46,915,453.293,4.166,5,0.426,0.59,0.999,0.6122438489479817,0.6604071002672881,0.5991021862792132,0.6744739908162566,0.6365567815776849
EOS-3-36195,COc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)n3)n12,CNMKXJUSLJWJLZ-UHFFFAOYSA-N,3,1,0.489,11,846,459.897,3.927,5,0.361,0.68,1.0,0.6860736070180248,0.5840843670755945,0.41740627784250567,0.3918168734151189,0.5198452813378109
EOS-3-36196,CC(Nc1cncc2nnc(-c3cncc(-c4ccc(F)nc4)c3)n12)c1ccc(F)cn1,FGVPQEBJCIEYCF-UHFFFAOYSA-N,3,1,0.386,2,419,430.422,4.095,5,0.42,0.63,1.0,0.028913371256253855,0.056156192173257485,0.797323692687273,0.7057861010211774,0.3970448392844904
EOS-3-36197,Cc1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5cncn5C)c4)n23)c(F)c1,BKVYCRNLXNCQGB-UHFFFAOYSA-N,3,1,0.478,16,772,433.422,3.752,5,0.393,0.63,1.0,0.6891662668768419,0.5687924062778426,0.7907871290521554,0.7116116098965115,0.6900893530258378
EOS-3-36198,Cc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnsc6)nc5)n34)ccn2)n1,SLDXIQNJMWCAEM-UHFFFAOYSA-N,3,1,0.299,86,723,449.503,4.137,6,0.395,0.63,1.0,0.11312624220409842,0.11990267973408265,0.31404632992940856,0.29946542389143993,0.2116351689397574
EOS-3-36199,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5c(C)noc5C)n34)c2)s1,YDTWIJGTOZGPRR-UHFFFAOYSA-N,3,1,0.512,72,506,419.47,3.802,5,0.424,0.7,1.0,0.31936639024055924,0.2635271742855185,0.0554622712631074,0.036537934343088205,0.16872344253306834
EOS-3-36200,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cnnc(F)c5)ns4)n23)cn1,XNTYOBGJFMIXFG-UHFFFAOYSA-N,3,1,0.303,99,719,457.458,2.701,6,0.393,0.58,0.904,0.10018161880611336,0.20766225755602769,0.11809505859776574,0.14533787951476937,0.14281920361866904
EOS-3-36201,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)o1,JKUFPIBOFIOSRI-UHFFFAOYSA-N,3,1,0.558,4,71,438.81,3.02,5,0.431,0.62,1.0,0.5532263038859571,0.5271657185936536,0.5704115550681927,0.5737783565211432,0.5561454835172366
EOS-3-36202,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)n5)[nH]4)n23)cc1,WZAQOVSTUYVREV-UHFFFAOYSA-N,3,1,0.325,98,407,454.885,3.692,6,0.404,0.63,0.999,0.20133986704132684,0.22802583784524708,0.28138921252827087,0.35957096840518127,0.2675814714550065
EOS-3-36203,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)nc1,AARIGBMTFNIWNW-UHFFFAOYSA-N,3,1,0.432,54,511,430.403,2.249,5,0.404,0.59,0.995,0.5480176135974231,0.415178877390172,0.5267716400520869,0.4516911109588102,0.48541481049962304
EOS-3-36204,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cc(F)c(-c6cnco6)c(F)c5)n34)cn2)n(C)n1,QALDMWRVAVMFDU-UHFFFAOYSA-N,3,1,0.318,42,287,471.431,3.89,6,0.381,0.66,0.993,0.28253718045370435,0.3289870468096772,0.42491947090672333,0.43878075526009186,0.3688061133575492
EOS-3-36205,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C)nc(C)c4F)n23)cn1,ZOEFFSORSNAOMY-UHFFFAOYSA-N,3,1,0.472,90,555,407.409,2.276,4,0.541,0.8,1.0,0.5556250428346241,0.4011548214652868,0.22693783839353027,0.10037009115208005,0.32102194846138027
EOS-3-36206,Cc1nc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1cccnc1,QZAARLCLLLXKAL-UHFFFAOYSA-N,3,1,0.467,46,469,447.861,4.323,5,0.396,0.63,1.0,0.6066496470426975,0.6406346377904187,0.7017082448084435,0.7003461037625934,0.6623346583510383
EOS-3-36207,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)o1,IRYKXFLQGVMRST-UHFFFAOYSA-N,3,1,0.554,15,655,432.871,4.425,5,0.366,0.71,1.0,0.8013158796518401,0.7416558152285656,0.6142570762798986,0.5737869234459598,0.6827539236515661
EOS-3-36208,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)c(Cl)c2F)nn1,CMYWMQUQULCXQP-UHFFFAOYSA-N,3,1,0.506,37,361,466.839,3.591,5,0.374,0.62,1.0,0.8921766842574189,0.9234802275375231,0.7275717908299637,0.7536923445959838,0.8242302618052224
EOS-3-36209,Cc1nc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1ccnnc1,JLBMWGLAKWAUSR-UHFFFAOYSA-N,3,1,0.424,46,469,448.849,3.718,5,0.4,0.57,1.0,0.5609708039202248,0.6078404495922144,0.6288465492426838,0.6196799396888493,0.6043344356109931
EOS-3-36210,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,KDHYPDSYUKEZBV-UHFFFAOYSA-N,3,1,0.534,47,320,419.836,2.641,5,0.417,0.65,1.0,0.8733894181344665,0.8170190528407922,0.219827290795696,0.23114419847851414,0.5353449900623672
EOS-3-36211,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccccn5)s4)n23)cc1,IIYAINDCKJNFSN-UHFFFAOYSA-N,3,1,0.32,76,543,452.478,4.573,6,0.387,0.68,0.988,0.12099067918579946,0.27887053663217054,0.3813309574395175,0.5112226715098348,0.32310371119183057
EOS-3-36212,c1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc(-c2ccon2)n1,KAFVVJGDECQQOM-UHFFFAOYSA-N,3,1,0.413,6,584,438.411,2.6,6,0.412,0.61,1.0,0.45761942293194435,0.3959975327256528,0.18851518059077513,0.15546398464807074,0.2993990302241108
EOS-3-36213,CCn1c(-c2cncc(C)c2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccccc3)n12,XHFWFHUZTMFODS-UHFFFAOYSA-N,3,1,0.268,39,854,460.505,3.897,6,0.381,0.64,0.966,0.06172469330409156,0.014983551504351997,0.035963950380371465,0.06851826468370914,0.04529761496813104
EOS-3-36214,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cn2)nn1,PGBFLRWDYOEGAB-UHFFFAOYSA-N,3,1,0.441,71,614,466.469,1.751,6,0.356,0.61,1.0,0.3012730450277568,0.16408231101363854,0.06111644164210815,0.04519052840792269,0.14291558152285655
EOS-3-36215,Cc1nsc(COc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)n5)c4)n23)n1,DQYZTILERJQDQX-UHFFFAOYSA-N,3,1,0.466,36,404,423.437,2.465,5,0.424,0.61,1.0,0.3691659241998492,0.5134329381125351,0.07559454458227674,0.08314200534576109,0.26033385306010554
EOS-3-36216,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)c1,NWGXGQSYHJZRFZ-UHFFFAOYSA-N,3,1,0.523,34,607,453.84,4.097,5,0.373,0.66,1.0,0.6232352134877664,0.7091957370982113,0.8747172914810499,0.879643273250634,0.7716978788294154
EOS-3-36217,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(F)n5)n34)c2)o1,KPZBDABFUBDULP-UHFFFAOYSA-N,3,1,0.495,87,307,435.394,3.444,5,0.374,0.64,1.0,0.7467959701185662,0.5890531834692618,0.5601826468370914,0.47925947501884725,0.5938228188609417
EOS-3-36218,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4Cl)n23)cc1,PCRZVQSEOXHXEK-UHFFFAOYSA-N,3,1,0.313,3,498,471.843,4.153,6,0.373,0.7,1.0,0.27688301007470356,0.4011633883901035,0.5435456788431224,0.6890034953053252,0.4776488931533137
EOS-3-36219,Cn1c(COc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)cnc1C(C)(F)CO,AETJUOBAPPUOMM-UHFFFAOYSA-N,3,1,0.372,68,127,452.372,2.09,4,0.442,0.6,1.0,0.3807484065519841,0.42421698307175654,0.7452710575011994,0.4734682338427798,0.50592617024193
EOS-3-36220,N#Cc1cnc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)cn5)n34)cc2F)cn1,HLIQAHQQXRMVGO-UHFFFAOYSA-N,3,1,0.354,85,674,477.385,3.659,5,0.36,0.72,1.0,0.5194811870331026,0.6799482557741073,0.9362106778150915,0.8810910835446508,0.7541828010417381
EOS-3-36221,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccon5)cn4)n23)nc1Cl,HCDKYSDXMHSEPQ-UHFFFAOYSA-N,3,1,0.462,58,954,437.822,3.65,5,0.371,0.68,0.944,0.6739085737783566,0.6125608251661984,0.5131587965184018,0.544719347543006,0.5860868857514907
EOS-3-36222,CCn1nccc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)nn4)n23)cc1,GZNCSURHBFNLMS-UHFFFAOYSA-N,3,1,0.344,67,622,464.493,3.658,6,0.367,0.67,1.0,0.27180282365841957,0.20767082448084437,0.13834726886436843,0.10037865807689672,0.17954989377013228
EOS-3-36223,Cc1nc(-c2cncnn2)cnc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,ATRDSGDTIGHEPR-UHFFFAOYSA-N,3,1,0.447,7,185,448.397,2.653,5,0.382,0.58,1.0,0.6317507367555343,0.5315519840997875,0.2959015831677061,0.23995956411486533,0.42479096703447333
EOS-3-36225,Cn1c(CO)nnc1-c1csc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,MCVNZYKQBYHUNT-UHFFFAOYSA-N,3,1,0.529,36,404,453.915,3.373,5,0.42,0.67,1.0,0.5924371187718457,0.7590038379823179,0.19197621821670893,0.2871804537043383,0.4576494071688027
EOS-3-36226,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4F)n23)c(-c2ncn(C)n2)n1,JEXYVOFBKYCMGD-UHFFFAOYSA-N,3,1,0.337,99,882,468.46,2.287,6,0.382,0.59,0.999,0.1956856966623261,0.25813001165101773,0.06923788636830923,0.0723048454526763,0.14883961003358234
EOS-3-36227,COc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)n4)n23)c1,WAOJDBRAFURTLL-UHFFFAOYSA-N,3,1,0.469,18,367,460.885,3.322,5,0.337,0.66,0.996,0.7041412514563772,0.679956822698924,0.24132170516071552,0.2077136591049277,0.45828335960523614
EOS-3-36228,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1,UPVHLFGCSPVJJX-UHFFFAOYSA-N,3,1,0.545,90,12,489.28,3.523,4,0.427,0.84,1.0,0.6375505448564184,0.5000514015489,0.7169745048317456,0.5862689329038449,0.6102113460352272
EOS-3-36229,COc1cc(-c2nnc3cncc(-c4ccnc(CO)n4)n23)ccc1-c1ccccc1,MVOABFWYVHIHLE-UHFFFAOYSA-N,3,1,0.333,30,366,410.437,3.416,5,0.474,0.8,1.0,0.3529059008978137,0.1601329586731547,0.4920755945445823,0.4387893221849085,0.3609759440751148
EOS-3-36230,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)cc2F)n(C)n1,OAXBHSYTAOCNPO-UHFFFAOYSA-N,3,1,0.552,37,265,466.427,3.329,5,0.379,0.62,1.0,0.7195445822767459,0.7138989788225618,0.5539116578712905,0.5447279144678226,0.6330207833596052
EOS-3-36231,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncs6)n5)n34)cn2)nc1,XNEKVKQMXVCTQK-UHFFFAOYSA-N,3,1,0.412,80,34,466.49,3.136,6,0.361,0.68,1.0,0.38075697347680076,0.4376327873346583,0.12094784456171613,0.10673531629086423,0.26151823041600986
EOS-3-36232,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cscn5)n4)n23)cc1,BVBOXVNDYAXPBG-UHFFFAOYSA-N,3,1,0.56,11,275,432.484,4.379,5,0.396,0.66,0.999,0.9171749708724556,0.8835840586663012,0.4609776574600781,0.4421132890137756,0.6759624940031526
EOS-3-36233,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cn4)n23)s1,HKJRZNWJLUDOIE-UHFFFAOYSA-N,3,1,0.295,76,272,426.465,3.97,6,0.42,0.64,0.999,0.02994996915907066,0.060037009115208005,0.15966177780823795,0.1879668974025084,0.10940391337125627
EOS-3-36234,Cc1ccc(F)cc1-c1nnc2cncc(OCc3nncc(-c4ccnc(F)c4)n3)n12,BIDCXHMWLSFUQP-UHFFFAOYSA-N,3,1,0.421,16,772,432.394,3.204,5,0.39,0.6,0.999,0.569709067233226,0.5890617503940785,0.5199952025221026,0.5314748817764375,0.5525602254814612
EOS-3-36235,Fc1cccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)on4)n23)c1F,MXWTUOFEKPZINF-UHFFFAOYSA-N,3,1,0.385,13,573,426.77,4.565,5,0.416,0.69,1.0,0.6463830443424029,0.5408556644506888,0.8499246110616133,0.8854088136522514,0.7306430333767391
EOS-3-36236,OCc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)nn1,VVJOAZJWANHPKT-UHFFFAOYSA-N,3,1,0.476,75,43,418.442,2.171,5,0.442,0.69,1.0,0.3485453361661298,0.3289956137344939,0.1502809951339867,0.11834349941744911,0.2365413611130149
EOS-3-36237,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)nn4)n23)nc1,XEMDZSHSGPCLAO-UHFFFAOYSA-N,3,1,0.316,99,502,452.442,1.965,6,0.381,0.57,1.0,0.3144318415461586,0.14856761017065315,0.03464464395860462,0.023173531629086423,0.13020440682612572
EOS-3-36238,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)nc(F)c5)n34)ccn2)c(C)n1,BBFPAIRZFBFVFL-UHFFFAOYSA-N,3,1,0.461,75,567,446.421,3.512,5,0.378,0.59,1.0,0.7468045370433829,0.6173497361387157,0.5539202247961071,0.44530018504557606,0.5908436707559455
EOS-3-36239,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)nc2F)s1,NTHCOFXUEPNYLH-UHFFFAOYSA-N,3,1,0.398,53,237,455.866,3.175,5,0.368,0.67,1.0,0.5249211842916867,0.5503735179220067,0.11210677815091495,0.16096395038037145,0.33709135768624493
EOS-3-36240,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)nn6)n5)n34)cn2)cc1,LYVPSVOBYBHWDI-UHFFFAOYSA-N,3,1,0.341,10,705,470.859,3.684,6,0.383,0.64,0.798,0.0312949763552875,0.2687701322733192,0.39226235350558564,0.5447364813926393,0.30926598588170795
EOS-3-36241,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)cs1,GGGKYXXLDRELJU-UHFFFAOYSA-N,3,1,0.477,4,208,453.89,4.385,5,0.39,0.71,1.0,0.680136728120074,0.7462305530806662,0.5302326776780207,0.5477691727777397,0.6260922829141252
EOS-3-36242,Clc1ccc(-c2nnc3cncc(Oc4nncc(-c5ccc(Cl)c(Cl)c5)n4)n23)nc1,DMWXXTVNLGTISL-UHFFFAOYSA-N,3,1,0.351,13,573,471.695,4.791,5,0.368,0.78,1.0,0.6149766979644986,0.684754300596258,0.7118686176410116,0.8424371187718457,0.7135091837434034
EOS-3-36243,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nn1,CILRUIUVRJXIBO-UHFFFAOYSA-N,3,1,0.511,15,561,444.886,3.622,5,0.366,0.61,1.0,0.6918905489685423,0.7931516003015557,0.25544856418340073,0.28718902062915497,0.5069199335206634
EOS-3-36244,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccc(F)c5F)nn4)n23)cc1,FUSZZQFCZJPGRD-UHFFFAOYSA-N,3,1,0.287,39,144,471.406,3.913,6,0.384,0.65,0.955,0.04816325131930642,0.17666712356932354,0.6691710643547393,0.7810379686107874,0.41875985196353915
EOS-3-36245,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)cc1,SJUPUCJGIXJFDW-UHFFFAOYSA-N,3,1,0.36,32,170,462.904,5.026,6,0.362,0.78,1.0,0.22899390034953054,0.4151874443149887,0.7547375094236173,0.8057278459324241,0.5511616750051401
EOS-3-36246,COCc1cccc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)nn2C)n1,FDYRWRZWHBTAEF-UHFFFAOYSA-N,3,1,0.474,31,477,448.512,2.811,5,0.357,0.68,0.997,0.18188438078267424,0.06410629840312522,0.03869679939688849,0.026608868480570213,0.07782408676581454
EOS-3-36247,CCOc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,WHTPMTYSLVOUJX-UHFFFAOYSA-N,3,1,0.552,19,386,457.469,3.803,5,0.347,0.68,1.0,0.7613768761565348,0.5840929340004112,0.4174148447673223,0.37270406414913304,0.5338971797683503
EOS-3-36249,Fc1ccnc(CCOc2cncc3nnc(-c4cnc(-c5cncnc5)nc4)n23)c1,RVRXNIKPSSEGNV-UHFFFAOYSA-N,3,1,0.511,65,631,415.392,2.194,5,0.411,0.67,1.0,0.707293879788911,0.6799653896237406,0.22694640531834692,0.23115276540333082,0.4613396100335823
EOS-3-36250,Cc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,PKCPRBVYFRVORZ-UHFFFAOYSA-N,3,1,0.473,35,76,445.433,3.851,5,0.367,0.63,1.0,0.8811938866424508,0.8285844013432938,0.6639024055924885,0.6311167843191008,0.7511993694743335
EOS-3-36251,Cc1cnc(CCOc2cncc3nnc(-c4cc(F)cc(-c5ccnc(F)c5)c4)n23)cn1,SKIJVKZGEJJOMQ-UHFFFAOYSA-N,3,1,0.517,87,439,445.433,3.851,5,0.367,0.63,1.0,0.7132393256116785,0.7045952984716606,0.6691796312795559,0.6458518950037695,0.6832165375916661
EOS-3-36252,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c(F)c1,UGILTMUIZAMJGY-UHFFFAOYSA-N,3,1,0.522,37,908,464.892,3.879,5,0.36,0.67,1.0,0.787189020629155,0.7549431156192173,0.4574566513604277,0.5078387362072511,0.6268568809540127
EOS-3-36253,Cc1ccc(-c2cc(-c3nnc4cncc(COCCc5cccc(Cl)c5)n34)ncn2)cn1,JZOPTXXFIPPYSJ-UHFFFAOYSA-N,3,1,0.38,44,130,457.925,4.364,5,0.335,0.78,1.0,0.32956103077239396,0.2788791035569872,0.547143787266123,0.5641062984031252,0.42992255499965737
EOS-3-36255,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccccc5F)n34)nc2F)s1,OPUKCBKVWFRKMK-UHFFFAOYSA-N,3,1,0.429,19,237,437.435,3.87,5,0.386,0.67,1.0,0.6405318346926188,0.5937735590432458,0.4135939962990885,0.454792337742444,0.5256729319443493
EOS-3-36256,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cnn2)nn1,QFUXRBCUJOCXED-UHFFFAOYSA-N,3,1,0.484,53,778,429.419,2.502,5,0.375,0.6,1.0,0.6801452950448907,0.6457405249811528,0.2554571311082174,0.2340055513672812,0.45383712562538553
EOS-3-36257,Cc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c(C)n1,DDIXADVUTJWIOC-UHFFFAOYSA-N,3,1,0.588,1,92,442.91,5.098,5,0.377,0.77,1.0,0.82499485984511,0.917911726406689,0.732720512644781,0.6863220478377082,0.790487286683572
EOS-3-36258,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)cn2)cc1,KLMYCNKJLUQSKY-UHFFFAOYSA-N,3,1,0.472,77,323,448.446,3.877,6,0.374,0.63,1.0,0.5401874443149887,0.3866424508258515,0.38133952436433416,0.3467377150298129,0.4137267836337468
EOS-3-36260,CCn1c(C)nc(-c2ncc(Cl)cn2)c1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,GKWAOZPPSLMXSK-UHFFFAOYSA-N,3,1,0.4,50,844,451.321,4.747,5,0.392,0.74,0.999,0.2935371119183058,0.39600609965046946,0.17568192721540676,0.38533171132890137,0.3126392125282708
EOS-3-36261,Fc1cncc(COc2cncc3nnc(-c4cncc(-c5cncc(Cl)c5)c4)n23)c1F,YKORYZONDVTONS-UHFFFAOYSA-N,3,1,0.459,2,419,451.824,4.154,5,0.396,0.64,1.0,0.8373397985059283,0.8285929682681105,0.9065862517990542,0.915050373517922,0.8718923480227537
EOS-3-36262,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1,CQULSAQYJPUVOW-UHFFFAOYSA-N,3,1,0.582,35,161,415.432,3.347,5,0.423,0.68,1.0,0.9171835377972722,0.767793502844219,0.5635066136659584,0.49775546569803303,0.6865597800013707
EOS-3-36263,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)s4)n23)nc1,FNXNQBZZZYGXFL-UHFFFAOYSA-N,3,1,0.303,50,974,478.488,3.406,6,0.393,0.72,0.616,0.11862620793639915,0.22803440477006373,0.1209564114865328,0.1959512713316428,0.16589207388115962
EOS-3-36264,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccncc4-c4ccccc4)n23)cc1,LPKBXRFAWMJPTB-UHFFFAOYSA-N,3,1,0.726,1,640,445.429,5.034,5,0.35,0.81,1.0,0.982694811870331,0.8835926255911178,0.9468593653622096,0.9255534233431567,0.9346750565417038
EOS-3-36265,Cn1cnnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1Cl,KXDOMZHZKSCSFC-UHFFFAOYSA-N,3,1,0.59,37,669,467.32,3.91,5,0.35,0.69,1.0,0.837348365430745,0.8917997395654855,0.5267802069769035,0.6166129806044822,0.7181353231444041
EOS-3-36266,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)n1,RCFPGEWWKFHLOH-UHFFFAOYSA-N,3,1,0.577,1,31,414.856,4.481,5,0.394,0.83,1.0,0.6891748338016586,0.7803868823247208,0.7590038379823179,0.7788191350832705,0.7518461722979919
EOS-3-36267,Fc1ccnc(F)c1CCOc1cncc2nnc(-c3cc(-c4nccs4)ccn3)n12,BOBOZBSWUPWYTB-UHFFFAOYSA-N,3,1,0.467,18,181,437.435,3.605,5,0.375,0.63,1.0,0.6317593036803509,0.5134415050373518,0.4643701596874786,0.47347680076759646,0.5207619422931944
EOS-3-36268,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cc2Cl)s1,SWOJFEOZAOCKDG-UHFFFAOYSA-N,3,1,0.512,72,554,453.89,4.385,5,0.364,0.74,1.0,0.7956274415735728,0.8248235213487767,0.5671047220889589,0.5983397299705298,0.6964738537454596
EOS-3-36269,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3)n12,VNLMEUMPGUGQAN-UHFFFAOYSA-N,3,1,0.304,64,27,466.436,4.113,6,0.37,0.68,1.0,0.6066582139675142,0.5226509492152697,0.49539956137344937,0.4792680419436639,0.5259941916249743
EOS-3-36270,Cn1nc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cc1-c1cnnc(F)c1,IVMRRPRPMANTAE-UHFFFAOYSA-N,3,1,0.39,31,569,452.841,2.186,5,0.381,0.56,0.618,0.3919282434377356,0.36780378315399903,0.1563549448290042,0.20175964635734356,0.27946165444452065
EOS-3-36271,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)cnn4)n23)c1,UNLSUWDBZUEULR-UHFFFAOYSA-N,3,1,0.432,18,207,465.304,3.967,5,0.347,0.68,1.0,0.6801538619697074,0.689783085463642,0.5991107532040298,0.6975361524227264,0.6666459632650263
EOS-3-36272,COc1ncc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1cnc(C)cn1,HSWBNFCZCLRYQC-UHFFFAOYSA-N,3,1,0.47,65,552,458.457,3.116,5,0.363,0.63,1.0,0.6617521074635049,0.5688009732026592,0.35497052977863064,0.24289801932698238,0.4571054074429442
EOS-3-36273,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccs5)n4)n23)cn1,BCJRZGSONQOMEC-UHFFFAOYSA-N,3,1,0.427,24,283,421.873,3.937,5,0.397,0.73,1.0,0.6232437804125831,0.8286015351929271,0.3140548968542252,0.3727126310739497,0.5346532108834212
EOS-3-36274,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c2)nn1,STLHVPGPEIAJFM-UHFFFAOYSA-N,3,1,0.442,18,265,447.409,2.641,5,0.387,0.55,1.0,0.680162428894524,0.5454903707765061,0.3360290590089781,0.3275820711397437,0.47231598245493794
EOS-3-36275,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)nc2)n(C)n1,HNPLDXLSFYLROS-UHFFFAOYSA-N,3,1,0.422,31,658,414.433,1.702,5,0.408,0.71,0.972,0.3169762182167089,0.14120005482831882,0.01856452607771914,0.011205537660201494,0.12198658419573709
EOS-3-36276,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc(-c2ccc(F)nc2F)n1,PKFVSQFUXMCFDD-UHFFFAOYSA-N,3,1,0.388,46,128,466.839,3.857,5,0.36,0.67,1.0,0.7102923034747447,0.8170276197656089,0.5798780069906107,0.5983482968953464,0.6763865567815777
EOS-3-36277,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)F)cc5)n34)ccn2)n1,FZFRKORIYZTGFE-UHFFFAOYSA-N,3,1,0.524,1,805,448.408,4.904,5,0.344,0.79,1.0,0.8576862449455144,0.8091460489342746,0.9485556164759098,0.9245596600644232,0.8849868926050304
EOS-3-36278,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)nc2)o1,FAXZMIYJXQPXMV-UHFFFAOYSA-N,3,1,0.342,32,723,452.865,4.619,6,0.381,0.68,1.0,0.24798677266808306,0.35825166198341446,0.5435542457679391,0.5737954903707765,0.43089704269755325
EOS-3-36279,OCc1ncc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)c2)cn1,QFZLWCHELHCCSC-UHFFFAOYSA-N,3,1,0.478,16,91,463.86,3.507,5,0.381,0.67,1.0,0.7404992803783154,0.7092043040230279,0.7376893290384483,0.7116201768213282,0.7247532725652799
EOS-3-36280,N#Cc1ccc(-n2nnc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)n2)s1,NBBQVTUTJSZRQF-UHFFFAOYSA-N,3,1,0.257,10,342,449.463,2.824,6,0.398,0.58,0.856,0.06719895826194229,0.07833596052361044,0.0692464532931259,0.13818449729285176,0.0882414673428826
EOS-3-36281,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)cnn2)c1,VMKYJGCVBGVSGI-UHFFFAOYSA-N,3,1,0.468,87,778,432.394,2.938,5,0.377,0.6,1.0,0.8013244465766568,0.7276488931533137,0.5769309848536769,0.5862774998286615,0.6730454561030772
EOS-3-36282,c1cc(-c2cnc(Cc3cncc4nnc(-c5ccc(-c6cncnn6)nc5)n34)nn2)cnn1,VIJHGUXGRWFXNZ-UHFFFAOYSA-N,3,1,0.295,99,719,447.426,1.271,6,0.373,0.53,1.0,0.17312898362003976,0.09464738537454595,0.047812007401823044,0.05893187581385786,0.09363006305256664
EOS-3-36283,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)ccn1,SPMVXFHIOFZMRX-UHFFFAOYSA-N,3,1,0.458,27,354,450.384,3.694,5,0.361,0.65,0.997,0.6346292234939346,0.7803954492495374,0.8228188609416763,0.7329603865396477,0.742700980056199
EOS-3-36284,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,ICMTXAAUNHZBDT-UHFFFAOYSA-N,3,1,0.545,26,161,415.432,3.347,5,0.423,0.69,1.0,0.6617606743883215,0.5179562744157358,0.6288551161675006,0.5706257281886095,0.5947994482900418
EOS-3-36285,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nn5)nc4)n23)cc1,SZNSREOKSGBNFN-UHFFFAOYSA-N,3,1,0.554,43,805,465.851,4.813,5,0.355,0.75,0.996,0.9490524981152766,0.8836011925159345,0.9010691522171201,0.8825731615379343,0.9040740010965663
EOS-3-36286,Clc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ncc(Cl)nn4)n23)cc1,YXFRYXYIICJQPQ-UHFFFAOYSA-N,3,1,0.542,73,32,452.265,3.319,5,0.396,0.56,0.999,0.7871975875539716,0.9234887944623398,0.18210712082790761,0.3595795353299979,0.5630932595435543
EOS-3-36287,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)nn1,WLYGWWLDCVEXJI-UHFFFAOYSA-N,3,1,0.376,53,785,464.852,2.551,5,0.369,0.57,0.997,0.6007556027688301,0.6028287985744637,0.16280583921595504,0.21669179631279556,0.39577050921801116
EOS-3-36288,Clc1cccc(CCOc2cncc3nnc(-c4cccnc4-c4ncccn4)n23)n1,LKOXBXRCDWVOCS-UHFFFAOYSA-N,3,1,0.5,58,747,430.859,3.313,5,0.378,0.63,1.0,0.7073024467137277,0.7590124049071345,0.18539681995750806,0.24557089986978275,0.47432064286203823
EOS-3-36289,COc1nc(-c2cn(C)cn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,YYPANNCNDRTNEG-UHFFFAOYSA-N,3,1,0.462,65,456,429.444,2.007,5,0.383,0.59,0.999,0.3852460420807347,0.17219518881502296,0.06499725858405866,0.030361181550270715,0.16319991775752177
EOS-3-36290,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)c(F)n1,FVOOPWSPLMGRIY-UHFFFAOYSA-N,3,1,0.541,34,675,451.824,4.154,5,0.371,0.65,1.0,0.9225978342814063,0.9660235761770954,0.8370742238366116,0.8514837913782468,0.8942948564183401
EOS-3-36291,Cc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3cnc(Cl)nc3)n12,CMJKGXNMFROFPZ-UHFFFAOYSA-N,3,1,0.483,65,324,445.874,3.017,5,0.363,0.61,0.999,0.7555685011308341,0.7678020697690358,0.18540538688232472,0.17975121650332396,0.47213179357137963
EOS-3-36292,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cncnc4)n23)c(F)c1,ZIDXTBMGFPDJHP-UHFFFAOYSA-N,3,1,0.267,94,967,464.468,3.553,6,0.389,0.58,0.301,0.1265420464670002,0.17667569049414023,0.3624323212939483,0.35958810225481463,0.25630954012747587
EOS-3-36293,CCn1nc(-c2nnc3cncc(OCc4nnccc4OC)n23)cc1-c1ccc(F)cn1,FNLZCBOYTSKEQA-UHFFFAOYSA-N,3,1,0.337,53,105,447.434,2.586,5,0.371,0.61,1.0,0.23141834007264753,0.27888767048180385,0.0872112946336783,0.07021451579740937,0.16693295524638474
EOS-3-36294,CCn1cc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(-c2cc(F)ccn2)n1,DSBYKIMHJICGGH-UHFFFAOYSA-N,3,1,0.37,45,844,437.841,4.668,5,0.408,0.67,1.0,0.18449729285175792,0.4418220135700089,0.7223202659173463,0.8243866081831266,0.54325654513056
EOS-3-36295,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)c(F)n4)n23)c1F,XYEBTVLWLWEXBT-UHFFFAOYSA-N,3,1,0.381,46,223,434.41,3.147,5,0.392,0.61,1.0,0.49193852374751557,0.41045850181618804,0.5369405798094716,0.43879788910972517,0.4695338736207251
EOS-3-36296,c1cncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccon6)cn5)n34)ncn2)c1,YKWVSQOYDMXSRR-UHFFFAOYSA-N,3,1,0.419,6,280,449.434,3.272,6,0.373,0.66,1.0,0.3065245699403742,0.20767939140566102,0.2959101500925228,0.24856932355561648,0.2646708587485436
EOS-3-36297,Fc1ccc(COCc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)c(F)c1F,CBRYNGQXIXXLQB-UHFFFAOYSA-N,3,1,0.416,54,692,449.396,3.777,5,0.365,0.62,0.999,0.4745648002193133,0.46831094510314575,0.8798574463710507,0.8647796586937153,0.6718782125968062
EOS-3-36298,Cn1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c(-c2ccccn2)n1,LDJWYHNBLYALTQ-UHFFFAOYSA-N,3,1,0.461,28,297,461.489,3.623,6,0.37,0.64,1.0,0.29629566170927285,0.18091631827839078,0.21622061544787882,0.1987954903707765,0.22305702145157974
EOS-3-36299,N#Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)s5)n34)c2)c(F)c1,HIQKOMBKYJPEAK-UHFFFAOYSA-N,3,1,0.415,4,207,447.43,4.039,5,0.401,0.63,1.0,0.7162891508464122,0.6897916523884586,0.84993317798643,0.8564269069974642,0.7781102220546913
EOS-3-36300,Fc1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(Cl)cn5)n34)nc2)ccn1,SJPDRMAWTGDUSQ-UHFFFAOYSA-N,3,1,0.358,14,81,417.835,4.027,5,0.411,0.69,1.0,0.3691744911246659,0.40117195531492017,0.7197416215475293,0.7902474127887054,0.5700838701939552
EOS-3-36301,Cc1cc(-c2nnc3cncc(OCc4cc(-c5nnc(C)n5C)ccc4F)n23)ccc1Cl,ZHEDJOFABBLEMO-UHFFFAOYSA-N,3,1,0.55,43,250,463.904,4.575,5,0.379,0.72,1.0,0.691899115893359,0.7719484613803029,0.6555153861969707,0.6657442944280721,0.6962768144746763
EOS-3-36302,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cc5)c4)n23)nn1,VPJAYTYGSIAZEX-UHFFFAOYSA-N,3,1,0.53,4,534,413.416,3.67,5,0.434,0.74,1.0,0.6262679048728669,0.6362226715098348,0.5471523541909397,0.5314834487012542,0.5852815948187239
EOS-3-36303,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,ONSUMONZXSMUKK-UHFFFAOYSA-N,3,1,0.291,86,421,467.884,3.154,6,0.359,0.64,0.754,0.11585052429579878,0.23280618189294772,0.1262250702487835,0.2139418134466452,0.1722058974710438
EOS-3-36304,COc1nc(-c2cnc(C)nc2)ccc1-c1nnc2cncc(OCCc3ccc(F)nc3)n12,YUAFYADKHSGIDZ-UHFFFAOYSA-N,3,1,0.489,65,282,458.457,3.116,5,0.339,0.66,1.0,0.7132478925364951,0.5788671098622439,0.3140634637790419,0.19069974641902543,0.44921955314920153
EOS-3-36305,Fc1c(Br)cccc1COc1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,WSDYYPYHENNSGW-UHFFFAOYSA-N,3,1,0.46,46,910,478.285,4.124,5,0.375,0.73,1.0,0.7700980056199027,0.7092128709478446,0.7429237201014324,0.7195617161263793,0.7354490781988897
EOS-3-36306,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncon5)s4)n23)c1,DCYILZPGISEVRL-UHFFFAOYSA-N,3,1,0.333,39,176,442.439,4.166,6,0.4,0.61,0.999,0.29884860530463986,0.36274073058734835,0.2485350558563498,0.3631348091289151,0.3183148002193133
EOS-3-36307,N#Cc1ccc(COc2cncc3nnc(-c4cnnc(-c5cnc(CO)cn5)c4)n23)cn1,OGBYRUUTZNYVDM-UHFFFAOYSA-N,3,1,0.5,92,85,438.411,1.376,5,0.407,0.56,0.959,0.4507915838530601,0.35322287711603045,0.28492735247755463,0.22228599821807965,0.3278069529161812
EOS-3-36308,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncco6)cn5)n34)nc2)cc1,MAPBTASEPPUUKB-UHFFFAOYSA-N,3,1,0.307,30,737,417.432,4.57,6,0.415,0.76,1.0,0.12099924611061613,0.09762010828592968,0.4853077239394147,0.5147436776094853,0.30466768898636143
EOS-3-36309,FC(F)n1cc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,OMRBQXQNQCRLJX-UHFFFAOYSA-N,3,1,0.451,53,182,455.816,3.467,5,0.383,0.59,1.0,0.33442704406826124,0.43764135425947503,0.6936896031800425,0.6657528613528888,0.532877715715167
EOS-3-36310,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)cc1Cl,AVTWWVKFSAEEOQ-UHFFFAOYSA-N,3,1,0.5,4,610,464.892,4.145,5,0.372,0.69,1.0,0.4114351312452882,0.5982797614968131,0.3849976012610513,0.40719450346103764,0.4504767493660476
EOS-3-36311,COc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnn(C)c5)cn4)n23)cn1,NNNXHSYMOOBKAM-UHFFFAOYSA-N,3,1,0.418,51,36,415.417,1.964,5,0.41,0.69,1.0,0.3415290247412789,0.20768795833047768,0.16588993214995545,0.07231341237749297,0.19685508189980125
EOS-3-36312,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6cccn6)n5)n34)nc2)cc1,XIIJOHKUCFMDIY-UHFFFAOYSA-N,3,1,0.278,30,301,416.448,4.101,6,0.43,0.71,0.997,0.006485162086217531,0.009517853471317936,0.38867281200740184,0.4453087519703927,0.2124961448838325
EOS-3-36313,Cc1nc(-c2nnc3cncc(OCc4cncs4)n23)ccc1-c1cncnc1Cl,IDAGPODPAINZGC-UHFFFAOYSA-N,3,1,0.415,46,62,436.888,3.641,5,0.384,0.64,1.0,0.5194897539579193,0.5046090055513672,0.2813977794530875,0.29041875128503875,0.3989788225618532
EOS-3-36314,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ccc2F)cn1,BRVQFGKYEXMWPC-UHFFFAOYSA-N,3,1,0.58,97,253,418.457,4.336,5,0.423,0.76,1.0,0.8223219793023097,0.7678106366938524,0.6965252552943595,0.6458604619285861,0.7331295833047768
EOS-3-36315,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)ccn2)nc1,GKYWVJCJEYVJLY-UHFFFAOYSA-N,3,1,0.473,75,263,450.384,3.077,5,0.389,0.56,1.0,0.8886985127818519,0.8131553697484751,0.5435628126927559,0.557792474813241,0.7008022925090809
EOS-3-36316,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cocn5)c(F)n4)n23)ncc1Cl,LQAWMKTYXHUWKA-UHFFFAOYSA-N,3,1,0.456,46,223,441.785,3.747,5,0.38,0.64,1.0,0.637559111781235,0.6406432047152354,0.7376978959632651,0.7511394010006168,0.6917599033650881
EOS-3-36318,CCn1cncc1-c1cncc(-c2nnc3cncc(Oc4ccc(Cl)c(C)c4)n23)c1,BUAZFNUDCRYTGL-UHFFFAOYSA-N,3,1,0.458,2,328,431.887,4.824,5,0.396,0.74,1.0,0.4367418271537249,0.4955194983208827,0.6749451716811733,0.6428877390172024,0.5625235590432458
EOS-3-36319,Cn1c(-c2ccns2)nnc1-c1cncc2nnc(-c3nccnc3-c3cccc(Cl)c3)n12,NKKMOFVSZBRDPY-UHFFFAOYSA-N,3,1,0.318,39,854,472.925,3.821,6,0.38,0.69,0.998,0.09308820505791242,0.1640908779384552,0.047820574326639706,0.16097251730518813,0.11649304365704886
EOS-3-36320,c1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncnn6)nn5)n34)s2)nc1,ZCFBZIASUNPXES-UHFFFAOYSA-N,3,1,0.288,76,272,425.441,2.348,6,0.418,0.58,0.998,0.0002741415941333699,0.0009766294291001301,0.04969673086148996,0.0815142896305942,0.03311544787882942
EOS-3-36321,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4ccc(CO)nc4)n23)c1,VIYMHZPCIWSUSG-UHFFFAOYSA-N,3,1,0.585,16,921,413.441,2.658,5,0.456,0.74,1.0,0.37616510177506685,0.1485761770954698,0.4283719416078404,0.3090775135357412,0.3155476835035296
EOS-3-36322,c1cnc(-c2nsc(COc3cncc4nnc(-c5cncc(-c6ccon6)c5)n34)n2)cn1,VQUAGXIQCHQINN-UHFFFAOYSA-N,3,1,0.404,80,277,456.451,2.729,6,0.365,0.67,1.0,0.26382701665410185,0.32002604345144264,0.04451374134740593,0.051821328216023574,0.1700470324172435
EOS-3-36323,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc2C)n1,TUCOFTPHRRTEGK-UHFFFAOYSA-N,3,1,0.432,31,578,459.901,3.325,5,0.352,0.65,1.0,0.6677318209855391,0.6604156671921048,0.15338222191762044,0.16329415393050511,0.4112059660064423
EOS-3-36324,CCn1c(-c2cccc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,PDRINSSXQBITEL-UHFFFAOYSA-N,3,1,0.4,8,474,464.468,3.728,6,0.379,0.61,1.0,0.10550167911726406,0.2994996915907066,0.15028956205880337,0.2455794667945994,0.20021759989034335
EOS-3-36325,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)ccc2F)nc1,AJSBWMJJACGPEA-UHFFFAOYSA-N,3,1,0.618,59,293,452.371,4.384,5,0.368,0.67,1.0,0.9702727708861627,0.9521794256733603,0.9450774450003426,0.9474333493249263,0.9537407477211981
EOS-3-36326,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)s1,FWKWCBXARNITMQ-UHFFFAOYSA-N,3,1,0.306,76,368,436.504,4.377,6,0.408,0.68,1.0,0.04531903228017271,0.09465595229936262,0.31407203070385853,0.30908608046055785,0.19078327393598793
EOS-3-36327,CC(O)(c1ncc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cc4)n23)cn1)C1CC1,AWKCRKIAZAMXHU-UHFFFAOYSA-N,3,1,0.286,82,478,453.481,4.067,6,0.4,0.68,0.998,0.355270372147214,0.419693646768556,0.46437872661229523,0.5544342402851072,0.4484442464532931
EOS-3-36328,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccn5)n4)n23)cn1,UIJCDAYKWIADLL-UHFFFAOYSA-N,3,1,0.282,86,968,421.428,2.229,6,0.425,0.57,1.0,0.010760057569734768,0.02646323075868686,0.08483825645946132,0.0867058460694949,0.05219184771434446
EOS-3-36329,COc1cc(-c2ncn(C)n2)ccc1-c1nnc2cncc(-c3cc(-c4ncc(C)nn4)n[nH]3)n12,WAKHFPCQNXFDCG-UHFFFAOYSA-N,3,1,0.293,98,882,466.469,2.146,6,0.4,0.59,1.0,0.14873038174216982,0.13744774175861832,0.057141388527174285,0.03234870810773765,0.09391705503392501
EOS-3-36330,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nccc(F)c5F)n34)ncn2)cn1,FNBQDVKPWGMUMP-UHFFFAOYSA-N,3,1,0.388,46,488,436.357,3.035,5,0.387,0.58,0.417,0.6122524158727983,0.6310653827702009,0.719750188472346,0.7116287437461449,0.6686741827153725
EOS-3-36331,Cc1nc(-c2cncn2CF)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)n1,CNUDPZTZIKTQTH-UHFFFAOYSA-N,3,1,0.333,51,924,452.841,2.703,5,0.382,0.59,1.0,0.43204715235419094,0.3532314440408471,0.11211534507573162,0.12930059625796725,0.2566736344321842
EOS-3-36332,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5cncc(C)n5)n34)cn2)nn1,IOCZJRSJDZDCHC-UHFFFAOYSA-N,3,1,0.3,70,935,458.489,3.779,6,0.388,0.59,0.989,0.13491193201288465,0.0852923034747447,0.18211568775272427,0.16875985196353918,0.1427699438009732
EOS-3-36333,CC(C)n1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cn1,YJWBCDAGEGYZLC-UHFFFAOYSA-N,3,1,0.289,42,725,449.478,4.348,6,0.382,0.64,0.999,0.14305051058871907,0.07497772599547667,0.25546569803303404,0.19880405729559317,0.16807449797820573
EOS-3-36334,CCn1cncc1-c1cncc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,VURVVRLWZXAPTC-UHFFFAOYSA-N,3,1,0.424,13,995,435.85,4.655,5,0.399,0.69,1.0,0.516971078061819,0.5788756767870605,0.7754351997806868,0.7738246179151532,0.6612766431361798
EOS-3-36335,C#Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)nn2C)cn1,VQGAPVHEOYOEJJ-UHFFFAOYSA-N,3,1,0.393,31,569,424.428,1.375,5,0.372,0.65,1.0,0.24508258515523268,0.07834452744842711,0.03718045370433829,0.0257350421492701,0.09658565211431705
EOS-3-36336,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,LHISQDZHVUHAJW-UHFFFAOYSA-N,3,1,0.471,55,710,451.899,3.946,5,0.382,0.66,1.0,0.6375676787060517,0.640651771640052,0.3697570420121993,0.3307946679459941,0.49469279007607425
EOS-3-36337,c1cnnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccnnc6)s5)n34)nc2)c1,OAOZDYHIIKAEJK-UHFFFAOYSA-N,3,1,0.263,70,887,437.452,2.619,6,0.405,0.57,0.999,0.028921938181070524,0.07498629292029334,0.061125008566924814,0.0885134672058118,0.06338667671852512
EOS-3-36338,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)s2)c1,PJMFCLBAAQSLQY-UHFFFAOYSA-N,3,1,0.366,3,641,440.467,4.506,6,0.433,0.64,1.0,0.11585909122061545,0.4011805222397368,0.4609862243848948,0.5641148653279419,0.3855351757932972
EOS-3-36339,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c(F)n1,FHSVHYHLZURRLP-UHFFFAOYSA-N,3,1,0.659,11,732,464.863,4.801,5,0.336,0.79,1.0,0.9336834349941745,0.9591871701733946,0.822827427866493,0.864788225618532,0.8951215646631485
EOS-3-36340,Fc1cc(CCCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nnc1-c1cccnc1,OEAWLOQNSGTEAZ-UHFFFAOYSA-N,3,1,0.386,85,290,462.439,4.29,5,0.356,0.69,0.993,0.4460540744294428,0.6557295593173874,0.5267887739017202,0.5641234322527585,0.5481739599753273
EOS-3-36341,Cc1nc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1-c1cncn1C,FSCZEHVZOIDRME-UHFFFAOYSA-N,3,1,0.4,46,717,434.41,3.147,5,0.392,0.57,0.858,0.6038311287780138,0.4553406209307107,0.5471609211157563,0.46417312041669523,0.5176264478102941
EOS-3-36342,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)ncn2)c1,JRVQOLWZAPTDKP-UHFFFAOYSA-N,3,1,0.436,44,488,451.824,4.154,5,0.396,0.61,0.956,0.6584538414090878,0.6748766362826399,0.7907956959769721,0.8442019052840792,0.7420820197381948
EOS-3-36343,Cc1nc(F)ccc1COc1cncc2nnc(-c3cccc(-c4cnc(CO)cn4)c3)n12,SXXNKNDJFSDJAH-UHFFFAOYSA-N,3,1,0.458,16,55,443.442,3.162,5,0.399,0.61,1.0,0.6677403879103557,0.5788842437118772,0.5539287917209239,0.44531731889520937,0.5614676855595916
EOS-3-36344,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4nccnc4-c4ccncc4F)n23)no1,RYJRXIWVKNHKFQ-UHFFFAOYSA-N,3,1,0.256,86,953,441.39,2.233,6,0.4,0.55,0.745,0.2177712288396957,0.18092488520320746,0.0712168460009595,0.11611609896511549,0.14650726475224454
EOS-3-36345,Cc1nc(-c2ccccc2)nc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,QVKYIFDHOZKHAT-UHFFFAOYSA-N,3,1,0.406,21,810,441.498,5.286,6,0.37,0.81,1.0,0.2371496127749983,0.17220375573983962,0.417423411692139,0.49464567198958265,0.3303556130491399
EOS-3-36346,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c2)nn1,NMIVYOWRDUCMLA-UHFFFAOYSA-N,3,1,0.382,93,810,441.498,5.286,6,0.37,0.81,1.0,0.1731375505448564,0.16409944486327188,0.5991193201288465,0.6428963059420191,0.3948131553697485
EOS-3-36347,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccc(F)n5)nc4)n23)cn1,ZFBZDTDPCYPTGO-UHFFFAOYSA-N,3,1,0.553,55,879,414.404,3.065,5,0.404,0.75,1.0,0.7843191008155712,0.7092214378726612,0.3922709204304023,0.3120673702967583,0.5494697073538483
EOS-3-36348,Cc1ncc(-c2ccc(-c3nnc4cncc(COc5ccc(F)cn5)n34)nc2)nn1,WTSPOCIMAAQKKG-UHFFFAOYSA-N,3,1,0.337,85,920,415.392,2.46,5,0.427,0.63,1.0,0.48436536220958126,0.46402748269481187,0.22324549379754643,0.19350969775889246,0.341287009115208
EOS-3-36349,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ncn5)n34)c2)s1,GFGRUMSZCAKLKP-UHFFFAOYSA-N,3,1,0.483,4,506,420.433,3.126,5,0.4,0.66,1.0,0.522308272222603,0.5271742855184703,0.2162291823726955,0.19881262422040985,0.3661310910835447
EOS-3-36350,Cc1noc(-c2cccc(-c3cncc4nnc(-c5cnccc5-c5cccc(F)c5)n34)c2)n1,KRCQVFJRJDOLJI-UHFFFAOYSA-N,3,1,0.341,69,192,449.449,5.018,6,0.373,0.76,1.0,0.279787197587554,0.33365602083476115,0.6527397025563704,0.6863306147625249,0.48812838393530256
EOS-3-36351,Clc1ccc(COc2cncc3nnc(-c4cncnc4-c4ccccc4)n23)s1,JTUBGPLPQRDKNU-UHFFFAOYSA-N,3,1,0.488,4,700,420.885,4.542,5,0.415,0.78,1.0,0.6204423959975327,0.6557381262422041,0.5096549242683847,0.5924885203207456,0.5945809917072168
EOS-3-36352,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5nnco5)c4)n23)nnc1Cl,LEPZXEQORCLLBG-UHFFFAOYSA-N,3,1,0.467,53,241,439.798,2.44,5,0.388,0.57,1.0,0.6739171407031732,0.5937821259680625,0.1885237475155918,0.25165341648961687,0.4269691076691111
EOS-3-36354,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cc2F)nc1,ZVBLRVGVOAUTMU-UHFFFAOYSA-N,3,1,0.605,59,293,452.371,4.384,5,0.368,0.68,1.0,0.9715663765334795,0.9512113631690768,0.9463453498732095,0.9459341374820095,0.9537643067644439
EOS-3-36355,Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)nc1,KNEDHKIAHWLMAG-UHFFFAOYSA-N,3,1,0.442,2,995,415.844,4.397,5,0.429,0.77,1.0,0.5556336097594408,0.6173583030635323,0.5504334863957234,0.5862860667534782,0.5774278664930437
EOS-3-36356,c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccoc6)nn5)n34)cn2)n[nH]1,CIXXHBLGJGFONE-UHFFFAOYSA-N,3,1,0.364,80,584,439.399,1.995,6,0.404,0.56,1.0,0.40269686793228704,0.35324001096566376,0.06113357549174148,0.05894044273867453,0.2190027242820917
EOS-3-36357,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(CF)c5)n34)cn2)no1,WBDAKXYVCINAPO-UHFFFAOYSA-N,3,1,0.534,16,214,451.849,4.247,5,0.377,0.67,0.999,0.7555770680556507,0.7632101980673017,0.5302412446028374,0.5212545404701528,0.6425707627989857
EOS-3-36358,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)cn4)n23)cn1,PYRYIVVXIOVPCO-UHFFFAOYSA-N,3,1,0.346,82,204,408.425,2.67,5,0.487,0.8,1.0,0.17043896922760607,0.07835309437324378,0.1692310328284559,0.14534644643958605,0.14084238571722296
EOS-3-36359,Cc1cc(-c2nnc3cncc(OCc4ccccc4-c4cnn(C)c4)n23)ccc1F,IHQOTCZXLCEKTD-UHFFFAOYSA-N,3,1,0.542,43,623,414.444,4.218,5,0.431,0.8,1.0,0.6405404016174354,0.617366869988349,0.8263313001165101,0.7614796792543349,0.7114295627441574
EOS-3-36361,Cc1cnnc(-c2cc(CO)cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)n1,NMPMIGWCGCMPMZ-UHFFFAOYSA-N,3,1,0.495,37,563,474.912,3.114,5,0.378,0.66,1.0,0.6493557672537866,0.5598656706188746,0.37772428209170034,0.36314337605373176,0.4875222740045233
EOS-3-36362,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)cn5)n4)n23)cn1,KCERKTVYRFMQGC-UHFFFAOYSA-N,3,1,0.384,80,816,469.444,2.281,6,0.361,0.67,0.967,0.3319340689466109,0.3582602289082311,0.10431087656774723,0.10254609005551367,0.22426281611952573
EOS-3-36363,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccccc5F)n34)nc(C)n2)cn1,USABJWILWWLOSF-UHFFFAOYSA-N,3,1,0.379,44,500,413.416,4.192,5,0.436,0.79,1.0,0.5556421766842574,0.5688095401274759,0.5059454458227675,0.45801350147351105,0.522102666027003
EOS-3-36364,c1csc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccs6)nn5)n34)nc2)c1,JIBHYEDSPULWII-UHFFFAOYSA-N,3,1,0.275,70,37,428.506,4.224,6,0.418,0.67,0.999,0.005123021040367349,0.034987320951271335,0.17249503118360635,0.239968131039682,0.11314337605373176
EOS-3-36365,Cn1ncnc1-c1ncsc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,LWOWQEFRDREBNB-UHFFFAOYSA-N,3,1,0.511,36,446,459.322,3.929,5,0.393,0.64,1.0,0.49682167089301627,0.6406603385648687,0.1919847851415256,0.37577959015831675,0.4263115961894318
EOS-3-36366,Cc1cc(COc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)c(F)c(C)n1,IREQKPFZEHDDOA-UHFFFAOYSA-N,3,1,0.43,2,422,445.433,4.117,5,0.402,0.62,1.0,0.7103008703995614,0.6173754369131657,0.6936981701048591,0.6196885066136659,0.660265746007813
EOS-3-36367,CC(C)(C)c1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)cn1,ZPNRSIZXNUSNHU-UHFFFAOYSA-N,3,1,0.59,16,770,455.497,4.659,5,0.381,0.7,1.0,0.857694811870331,0.7092300047974779,0.6639109725173052,0.42006202453567265,0.6627244534301967
EOS-3-36368,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4Oc4ccccc4)n23)c(F)c1,BLJINRGQJYNZIU-UHFFFAOYSA-N,3,1,0.365,3,298,464.464,4.58,6,0.368,0.72,1.0,0.3462922349393462,0.4418305804948256,0.530249811527654,0.5314920156260708,0.4624661606469741
EOS-3-36369,Cc1nc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c2)cs1,VJZOFYPZVCEWEA-UHFFFAOYSA-N,3,1,0.464,89,205,484.545,3.484,6,0.373,0.85,1.0,0.27979576451237065,0.16410801178808854,0.05347474470564046,0.05055342334315674,0.1369829860873141
EOS-3-36370,Cc1cc(CCOc2cncc3nnc(-c4cc(Cl)cc(-c5ncc(F)cn5)c4)n23)ccn1,SUSINRTWNCCECG-UHFFFAOYSA-N,3,1,0.583,35,325,461.888,4.366,5,0.371,0.67,1.0,0.8866767185251182,0.8553217736961141,0.6585395106572545,0.6486275786443698,0.7622913953807142
EOS-3-36371,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)cc(F)n1,YFSCRWJTKBTRHG-UHFFFAOYSA-N,3,1,0.425,46,242,418.367,2.896,5,0.402,0.65,1.0,0.8346840518127613,0.6604242341169214,0.5435713796175725,0.4946542389143993,0.6333334761154137
EOS-3-36372,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)c(F)n5)ncn4)n23)nc1,WTPAQNXWINYBPD-UHFFFAOYSA-N,3,1,0.381,46,726,437.345,2.43,5,0.409,0.53,0.982,0.6262764717976835,0.6406689054896855,0.46438729353711194,0.4580220683983277,0.5473386848057021
EOS-3-36373,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)s1,GKDVDNRKYFLHNV-UHFFFAOYSA-N,3,1,0.266,76,387,437.492,3.772,6,0.414,0.58,0.231,0.043776985813172506,0.04516482763347269,0.1658984990747721,0.23116133232814748,0.12150041121239119
EOS-3-36374,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc(C(F)F)c1,VOCPRBQUTQAQHO-UHFFFAOYSA-N,3,1,0.512,26,619,447.449,4.146,5,0.373,0.67,1.0,0.6463916112672196,0.46831951202796246,0.8499417449112466,0.7641611267219519,0.6822034987320951
EOS-3-36375,Cc1cc(F)ncc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,MAVINVIZEUNHHH-UHFFFAOYSA-N,3,1,0.432,46,267,447.861,4.323,5,0.37,0.68,1.0,0.6232523473373998,0.7804040161743541,0.7403022411075321,0.730116167500514,0.71851869302995
EOS-3-36376,Fc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCc4nc(Cl)ccc4F)n23)c1,RRSABXACUKZIGO-UHFFFAOYSA-N,3,1,0.553,97,439,450.836,4.759,5,0.359,0.75,1.0,0.7613854430813515,0.8553303406209307,0.9044445205948872,0.9215098348296895,0.8606675347817148
EOS-3-36377,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)c2)cn1,DKDVVMAIPBNREN-UHFFFAOYSA-N,3,1,0.474,20,795,462.876,3.761,5,0.351,0.67,1.0,0.8013330135014735,0.8091546158590912,0.369765608937016,0.39479816325131933,0.593762850387225
EOS-3-36378,Cc1nn(C)cc1-c1csc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,TWKMLZPMLAZVBJ-UHFFFAOYSA-N,3,1,0.57,4,677,436.928,4.794,5,0.396,0.72,1.0,0.5778219450346104,0.7590209718319512,0.5991278870536633,0.5893358919882119,0.6313266739771092
EOS-3-36379,Fc1c(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)ccnc1Cl,LGWXYGCNKLHDCT-UHFFFAOYSA-N,3,1,0.61,75,496,447.861,4.057,5,0.362,0.65,1.0,0.8169248166678089,0.8170361866904257,0.742932287026249,0.7461277499828661,0.7807552600918374
EOS-3-36381,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)ccn1,TVAFIMRSOJDLHS-UHFFFAOYSA-N,3,1,0.506,84,76,447.861,4.057,5,0.362,0.65,1.0,0.8957833596052361,0.8727640326228497,0.7377064628880817,0.7562966897402509,0.8156376362141047
EOS-3-36382,COc1nc(-c2nnc3cncc(Oc4ncc(Cl)cc4Cl)n23)ccc1-c1ncco1,NEPDDZKPJSMWSR-UHFFFAOYSA-N,3,1,0.344,49,501,456.249,4.344,5,0.381,0.65,1.0,0.5980227537523131,0.4859930779247481,0.38134809128915087,0.385340278253718,0.46267605030498254
EOS-3-36383,c1ccc(-c2cc(-c3nnc4cncc(OCc5nncc(-c6cccnn6)n5)n34)ccn2)nc1,DHILHNLNTZYVBB-UHFFFAOYSA-N,3,1,0.435,6,297,461.449,2.469,6,0.361,0.59,1.0,0.3984391062984031,0.30451134260845725,0.08972140360496196,0.09839969844424645,0.22276788773901718
EOS-3-36384,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)s1,MLFBVRJNFKRBHG-UHFFFAOYSA-N,3,1,0.512,16,214,449.927,4.554,5,0.388,0.7,1.0,0.5638578575834419,0.7046038653964772,0.44332979233774245,0.4516996778836269,0.5408727983003221
EOS-3-36385,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc1-c1cncs1,JJVGQLFUJNMPQP-UHFFFAOYSA-N,3,1,0.436,18,367,453.89,4.119,5,0.382,0.64,0.999,0.6860821739428414,0.7804125830991707,0.41009012404907136,0.49466280583921596,0.5928119217325749
EOS-3-36386,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cccc(C#N)c5F)n34)ncn2)c1,WKBMGLJRRVAOAT-UHFFFAOYSA-N,3,1,0.378,44,238,438.426,3.542,5,0.409,0.59,0.997,0.7872061544787883,0.5788928106366938,0.7568021383044342,0.694863271879926,0.7044410938249606
EOS-3-36387,FCc1cncc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccn2)c1,MECJALFSOAFLPH-UHFFFAOYSA-N,3,1,0.446,2,564,449.396,3.97,5,0.387,0.61,1.0,0.841888835583579,0.7632187649921184,0.8771245973545336,0.8424456856966623,0.8311694709067233
EOS-3-36388,c1cc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)c1,MQYHPZBVLCIZKI-UHFFFAOYSA-N,3,1,0.262,42,171,429.447,3.767,6,0.417,0.58,0.999,0.1487389486669865,0.11655301213076553,0.49208416146939893,0.5078473031320677,0.3163058563498047
EOS-3-36389,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ccc4Cl)n23)nc1,LGVFGAYZVPNXDR-UHFFFAOYSA-N,3,1,0.429,19,348,464.316,4.838,5,0.368,0.75,1.0,0.6464001781920362,0.704612432321294,0.7429408539510657,0.7810465355356041,0.71875
EOS-3-36390,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)nc1,LCKAVVIKJUOQJJ-UHFFFAOYSA-N,3,1,0.364,93,74,464.92,4.969,6,0.366,0.78,1.0,0.21232266465629498,0.3336645877595778,0.6380217257213351,0.7301247344253307,0.4785334281406346
EOS-3-36391,Fc1cnccc1-c1ccnc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,WBKMXLVQFKPDRR-UHFFFAOYSA-N,3,1,0.398,18,367,448.849,3.452,5,0.389,0.58,0.993,0.6771554382838736,0.6028373654992804,0.4781886094167638,0.5544428072099239,0.5781560551024604
EOS-3-36392,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)c1,FXUZVEQLMYRYLD-UHFFFAOYSA-N,3,1,0.459,87,858,448.849,3.452,5,0.389,0.58,0.998,0.7162977177712289,0.7590295387567678,0.3886813789322185,0.47927660886848056,0.585821311082174
EOS-3-36393,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)nn1,WLGYHFZQUOHSGZ-UHFFFAOYSA-N,3,1,0.444,72,379,452.812,3.549,5,0.373,0.62,1.0,0.7555856349804674,0.8131639366732918,0.602306216160647,0.6486361455691865,0.7049229833458981
EOS-3-36394,c1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)nc1,ZSBQUVBDFUBUKK-UHFFFAOYSA-N,3,1,0.424,80,584,449.438,2.402,6,0.402,0.54,1.0,0.38525460900555136,0.34852820231649645,0.11212391200054829,0.10038722500171339,0.23657348708107737
EOS-3-36395,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nn5)n34)[nH]2)ccn1,MWSFLWASCUIZIQ-UHFFFAOYSA-N,3,1,0.286,30,541,436.414,3.235,6,0.418,0.59,0.082,0.15950757316153794,0.21261394010006168,0.28493591940237134,0.38876704818038516,0.261456120211089
EOS-3-36396,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)n2)s1,HKFOXZSMYCJWRG-UHFFFAOYSA-N,3,1,0.534,27,52,470.44,4.006,5,0.38,0.7,1.0,0.6007641696936468,0.6898002193132753,0.6441556438900692,0.4673600164484957,0.6005200123363718
EOS-3-36397,c1ccc(-c2ccncc2)c(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c1,OMBZZFDPMRSFNW-UHFFFAOYSA-N,3,1,0.538,41,25,447.458,4.482,6,0.368,0.75,1.0,0.5556507436090741,0.3821448152971009,0.6288636830923172,0.5862946336782948,0.5382384689191968
EOS-3-36398,Cn1nc(-c2ccsc2)nc1-c1cncc2nnc(-c3ccc(-c4cccs4)cn3)n12,DJDVBRLVLBLZKS-UHFFFAOYSA-N,3,1,0.295,70,979,442.533,4.439,6,0.401,0.68,0.903,0.027791104105270373,0.07499485984510999,0.08721986155849497,0.13570865602083476,0.08142862038242753
EOS-3-36399,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)cn1,OYUGUCXTPVTBPE-UHFFFAOYSA-N,3,1,0.595,15,187,413.445,2.307,5,0.417,0.73,1.0,0.6677489548351724,0.372472757179083,0.11213247892536495,0.07797614968131039,0.30758258515523274
EOS-3-36400,Cc1nc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)c2)n(C)n1,AZSIQYXNVMQRJN-UHFFFAOYSA-N,3,1,0.329,42,725,463.48,4.158,6,0.362,0.69,1.0,0.1845058597765746,0.23281474881776437,0.4609947913097115,0.46736858337331233,0.3364209958193407
EOS-3-36401,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cn2)nc1,JIHBIGRMPIZJNE-UHFFFAOYSA-N,3,1,0.446,6,297,460.461,3.074,6,0.365,0.59,1.0,0.3963744774175862,0.3387276403262285,0.19532588582002605,0.1852254814611747,0.2789133712562539
EOS-3-36402,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)ccn1,ZGCJFYPRJJGIFU-UHFFFAOYSA-N,3,1,0.466,75,624,420.383,2.839,5,0.404,0.64,1.0,0.6007727366184634,0.4286203824275238,0.6142656432047152,0.5315005825508875,0.5437898362003974
EOS-3-36403,Cc1nc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1-c1cncn1C,ORVCMFFNODTQRB-UHFFFAOYSA-N,3,1,0.398,31,690,447.89,2.96,5,0.391,0.58,0.235,0.4771434445891303,0.45958124871496125,0.1596703447330546,0.1502295935850867,0.31165615790555823
EOS-3-36404,CC(C)(C)OC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1F,KRNVWHPBAOLKTO-UHFFFAOYSA-N,3,1,0.317,82,155,469.48,4.405,5,0.356,0.79,0.995,0.36436844630251525,0.377424439723117,0.6173497361387157,0.4104499348913714,0.4423981392639298
EOS-3-36405,Fc1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,QZUXNZBZUUTYGX-UHFFFAOYSA-N,3,1,0.405,93,107,445.461,5.116,6,0.375,0.76,1.0,0.34153759166609554,0.4814012062230142,0.745279624426016,0.8324909190596943,0.600177335343705
EOS-3-36406,Cc1cc(-c2ccc(-c3nnc4cncc(CCc5cnn(C)c5)n34)cc2F)ncn1,MOVWXLFCNGQYNV-UHFFFAOYSA-N,3,1,0.359,85,580,414.448,3.215,5,0.439,0.77,1.0,0.18189294770749093,0.30960009594955795,0.3997241450209033,0.3631519429785484,0.31359228291412516
EOS-3-36407,c1c[nH]c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cn2)n1,KICOMXSGYHOSOR-UHFFFAOYSA-N,3,1,0.303,70,392,422.477,4.367,6,0.453,0.67,1.0,0.10551024604208073,0.12344081968336645,0.4211328901377562,0.44212185593859227,0.2730514529504489
EOS-3-36408,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)nn2)s1,OVRKZILMAUDQNB-UHFFFAOYSA-N,3,1,0.453,53,226,421.421,2.521,5,0.395,0.64,0.902,0.5249297512165033,0.47273147830854634,0.07988657391542732,0.09434754300596258,0.2929738366116099
EOS-3-36409,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ncc(Cl)cn6)cs5)n34)cc2)nn1,KRFJJLXCXRVHSE-UHFFFAOYSA-N,3,1,0.32,98,865,472.925,3.821,6,0.38,0.66,1.0,0.09545267630731273,0.26353574121033513,0.13504043588513467,0.20176821328216024,0.1739492666712357
EOS-3-36410,Cc1nsc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4C)n23)n1,GBBDZRJTSGJAKP-UHFFFAOYSA-N,3,1,0.427,7,567,421.511,3.962,5,0.424,0.68,1.0,0.26111986841203483,0.2893050510588719,0.0445223082722226,0.04263758481255568,0.15939620313892125
EOS-3-36411,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ncn2)cc1Cl,RSQLEFPEGKAFDC-UHFFFAOYSA-N,3,1,0.494,44,130,452.902,4.724,5,0.371,0.73,1.0,0.7701065725447194,0.7370382427523816,0.7452881913508327,0.7877715715166884,0.7600511445411555
EOS-3-36412,Fc1ccc(-c2ncoc2-c2cncc3nnc(-c4nc(-c5cncnc5)ccc4F)n23)cc1,FPIJOKLTVWCHTR-UHFFFAOYSA-N,3,1,0.306,94,693,454.4,4.244,6,0.389,0.62,0.998,0.32428380508532656,0.4464567198958262,0.6054588444931808,0.6716212048523063,0.5119551435816599
EOS-3-36413,Cc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5cnc(C)o5)c4)n23)ccn1,WGEZWEBKUJDZTO-UHFFFAOYSA-N,3,1,0.542,97,439,416.416,4.176,5,0.424,0.77,1.0,0.7318552532382976,0.5841015009252278,0.6882410389966418,0.5609365362209581,0.6412835823452814
EOS-3-36414,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4scnc4-c4cnc(CO)cn4)n23)nc1,MXXUMRXEDHABBL-UHFFFAOYSA-N,3,1,0.301,33,432,471.506,2.151,6,0.38,0.68,1.0,0.06527996710300871,0.10092694126516345,0.01857309300253581,0.027628332533753682,0.05310208347611541
EOS-3-36415,Cn1nc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1-c1ccc(Cl)nc1,DJXHTKAUMVODKG-UHFFFAOYSA-N,3,1,0.398,13,956,438.278,4.686,5,0.379,0.76,0.999,0.31444040847097526,0.43318655335480777,0.6775152491261737,0.7761976560893702,0.5503349667603317
EOS-3-36416,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)n1,HJBKEKANFVNQPA-UHFFFAOYSA-N,3,1,0.436,44,531,462.876,3.761,5,0.375,0.61,1.0,0.6710729216640394,0.6262422040984168,0.36244088821876497,0.41684942772942224,0.5191513604276609
EOS-3-36417,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(Cl)cnn5)c4)n23)cc1F,JNJMRTMNCNYGLL-UHFFFAOYSA-N,3,1,0.336,98,151,473.863,3.022,6,0.383,0.62,0.999,0.02013227331916935,0.23282331574258106,0.35117538208484683,0.4388064560345418,0.2607343567952848
EOS-3-36418,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5C)cn4)n23)cc(CF)n1,PNMRHTYQDADEPO-UHFFFAOYSA-N,3,1,0.44,1,348,440.482,4.914,5,0.373,0.8,1.0,0.5454903707765061,0.4376499211842917,0.6471369337262696,0.5544513741347405,0.546182149955452
EOS-3-36419,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(COc4ccc(Cl)c(C)c4)n23)n1,BNFLCNBNUCVCJH-UHFFFAOYSA-N,3,1,0.369,14,189,460.9,5.237,5,0.357,0.84,1.0,0.6178637516277157,0.6604328010417381,0.7996624631622233,0.8099256390925913,0.7219711637310671
EOS-3-36420,Fc1ncc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cc1Cl,LLKXMCPXJWLTBA-UHFFFAOYSA-N,3,1,0.59,68,127,424.745,3.972,4,0.364,0.74,1.0,0.9447604687821259,0.9512199300938935,0.9882890137756151,0.9709495579466795,0.9638047426495785
EOS-3-36421,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(OC)cc(-c5nccc(C)n5)n4)n23)cc1,WZPLJDNPRSCJCV-UHFFFAOYSA-N,3,1,0.455,89,731,482.504,2.899,5,0.372,0.76,0.999,0.4320557192790076,0.17668425741895688,0.20221369337262696,0.06852683160852581,0.2198701254197793
EOS-3-36422,Fc1ccnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)n2)c1,KBAXVSISDYQWBL-UHFFFAOYSA-N,3,1,0.296,70,957,453.466,3.968,6,0.395,0.59,0.976,0.14305907751353575,0.25813857857583444,0.3360376259337948,0.43270680556507435,0.29248552189705984
EOS-3-36423,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cnn4)n23)cn1,YVEVJNMNLJEZBO-UHFFFAOYSA-N,3,1,0.318,82,974,410.401,1.46,5,0.467,0.72,0.981,0.1055188129668974,0.048711534507573165,0.10946816530738127,0.0762199300938935,0.08497961071893634
EOS-3-36424,Fc1cc(F)cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)c1,WFLWUMTWFDCMLU-UHFFFAOYSA-N,3,1,0.484,44,130,465.851,4.196,5,0.347,0.68,1.0,0.8465406757590296,0.8425142210951957,0.830280652456994,0.8531800424919471,0.8431288979507916
EOS-3-36425,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ncc(F)c(Cl)n3)n12,KTFWVZYOMUMART-UHFFFAOYSA-N,3,1,0.511,73,795,466.839,3.591,5,0.35,0.69,1.0,0.930419436639024,0.9434839969844425,0.4954081282982661,0.5609451031457748,0.7325641662668769
EOS-3-36426,Cc1nsc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)n1,SKDTYOPJSYAASX-UHFFFAOYSA-N,3,1,0.483,24,199,420.433,3.126,5,0.427,0.65,1.0,0.4647899390034953,0.4860016448495648,0.12919779316016722,0.15023816050990335,0.30755688438078266
EOS-3-36427,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(F)c4F)n23)nc1F,LWTSUJAFRMTIDS-UHFFFAOYSA-N,3,1,0.389,46,223,438.373,2.978,5,0.389,0.58,0.987,0.7132564594613118,0.607849016517031,0.6412086217531355,0.5893444589130286,0.6379146391611267
EOS-3-36428,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)ccn1,VJQDTADKGFFNBZ-UHFFFAOYSA-N,3,1,0.435,46,565,420.885,4.542,5,0.388,0.77,1.0,0.6262850387225002,0.6406774724145021,0.6691881982043726,0.697544719347543,0.6584238571722295
EOS-3-36429,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc2)n1,OVNIIFOYTNHRDD-UHFFFAOYSA-N,3,1,0.414,18,954,444.886,3.622,5,0.366,0.63,0.999,0.5980313206771297,0.6701905284079227,0.28869679939688847,0.2994739908162566,0.4640981598245494
EOS-3-36430,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)c1,LWOHPSYTPVXCNJ-UHFFFAOYSA-N,3,1,0.506,59,607,452.852,4.702,5,0.361,0.72,1.0,0.7927232540607224,0.7462391200054829,0.9404427386745254,0.934265985881708,0.8534177746556098
EOS-3-36431,Fc1cncc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c1F,YRSLEQCPJQZPBL-UHFFFAOYSA-N,3,1,0.483,97,91,450.836,4.759,5,0.359,0.73,1.0,0.8688832156808992,0.8523404838599137,0.9432355561647591,0.9466880268658763,0.9027868206428621
EOS-3-36432,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)nc5)n34)cn2)on1,JGRNCEABTZAJJE-UHFFFAOYSA-N,3,1,0.368,32,20,449.449,5.018,6,0.373,0.78,0.997,0.2555770680556507,0.38215338222191764,0.6775238160509903,0.6805051058871907,0.49893984305393735
EOS-3-36433,Fc1cncc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccnc(F)c5)n34)nn2)c1,RWFXFWWZPSCFCC-UHFFFAOYSA-N,3,1,0.239,39,953,455.392,2.564,6,0.369,0.58,0.984,0.012370639435268315,0.07145671989582619,0.29943115619217325,0.39182544033993555,0.1937709889658008
EOS-3-36434,Cn1ccnc1-c1ccnc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c1,MOCIJKZAHHEQPC-UHFFFAOYSA-N,3,1,0.398,46,949,436.838,3.353,5,0.39,0.6,1.0,0.5638664245082585,0.5000599684737167,0.5671132890137757,0.5609536700705915,0.5479983380165856
EOS-3-36435,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)c(F)c1,YEPUSVUZYLCYHW-UHFFFAOYSA-N,3,1,0.494,16,772,436.838,3.353,5,0.39,0.6,1.0,0.6710814885888562,0.6604413679665547,0.6347662942910013,0.6012867521074635,0.641893975738469
EOS-3-36437,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)s5)n34)nn2)n1,MIMHBMMSODJYSZ-UHFFFAOYSA-N,3,1,0.286,76,272,443.521,3.927,6,0.407,0.62,0.991,0.00011137002261668152,0.000985196353916798,0.057149955451990954,0.07022308272222604,0.032117401137687615
EOS-3-36438,O=c1[nH]c(-c2cccnc2)ncc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,RCKXNTJTQYHFPO-UHFFFAOYSA-N,3,1,0.489,35,76,446.858,2.607,5,0.395,0.63,0.986,0.47955931738743063,0.4506545130559934,0.3102511822356247,0.3595966691796313,0.40001542046467
EOS-3-36439,Fc1cnc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)cn1,ZAQGVSKMNFJKPN-UHFFFAOYSA-N,3,1,0.484,58,954,448.849,3.452,5,0.364,0.59,0.999,0.7983260228908231,0.9434925639092592,0.4433383592625591,0.4792851757932972,0.6661105304639846
EOS-3-36440,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccnc(-c4ncco4)c3)n12,ZNVITKXSYVEJBW-UHFFFAOYSA-N,3,1,0.649,24,749,436.834,4.255,5,0.393,0.64,1.0,0.8397642382290453,0.7092385717222945,0.6991381673634433,0.72477897333973,0.7432299876636282
EOS-3-36441,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(F)c2)cn1,FDNILDUZZMFBQT-UHFFFAOYSA-N,3,1,0.488,97,91,462.872,4.628,5,0.363,0.73,1.0,0.9131570831334385,0.8966400520869029,0.867855184702899,0.8243951751079432,0.8755118737577958
EOS-3-36442,Cc1nc(COc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)cc(-c2cccnn2)n1,DPUPQWLDLRZCJD-UHFFFAOYSA-N,3,1,0.43,53,128,447.409,3.258,5,0.386,0.57,0.987,0.5324857789048043,0.45066307998081007,0.45746521828524433,0.382273319169351,0.4557218490850524
EOS-3-36444,CCc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nc(C)nn1C,ZQOLDQVOMIFJPX-UHFFFAOYSA-N,3,1,0.449,31,690,441.499,2.869,5,0.379,0.6,0.908,0.30914604893427455,0.09762867521074635,0.021237406620519497,0.014555205263518608,0.11064183400726475
EOS-3-36445,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5c[nH]nn5)cn4)n23)cn1,SBKLMPZSWIXHMY-UHFFFAOYSA-N,3,1,0.39,7,816,452.442,1.741,6,0.396,0.58,1.0,0.3118017956274416,0.2328318826673977,0.09198307175656227,0.06509149475704201,0.1754270612021109
EOS-3-36446,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)c(C)n4)n23)n(C)n1,UWNZLSCWHWTXCA-UHFFFAOYSA-N,3,1,0.374,92,662,415.461,2.516,5,0.435,0.69,0.996,0.18451442670139126,0.1270988965800836,0.1043194434925639,0.04519909533273936,0.11528296552669452
EOS-3-36447,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2F)s1,OLIKTNFFHMISHY-UHFFFAOYSA-N,3,1,0.398,46,237,454.878,3.78,5,0.369,0.69,1.0,0.6204509629223494,0.6218816393667329,0.29217497087245564,0.3467462819546296,0.47031346377904193
EOS-3-36448,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccn1,QSQXZGZNTXFOJA-UHFFFAOYSA-N,3,1,0.619,75,276,415.432,3.347,5,0.423,0.71,1.0,0.7195531492015627,0.4771862792132136,0.5769395517784935,0.5378144061407717,0.5778733465835104
EOS-3-36449,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)nn2C)s1,DRGYOOFYVPPJRW-UHFFFAOYSA-N,3,1,0.489,95,694,438.904,3.584,5,0.413,0.6,1.0,0.13763621410458501,0.2635443081351518,0.15636351175382085,0.18797546432732506,0.18637987458022065
EOS-3-36450,Cc1cc(-c2nnc3cncc(OCc4ncn(-c5cnccn5)n4)n23)ccc1Cl,MCOKAYAFBDJACX-UHFFFAOYSA-N,3,1,0.483,51,975,419.836,2.703,5,0.427,0.65,1.0,0.30653313686519085,0.49059351655129874,0.21983585772051265,0.26675690494140225,0.3209298540196011
EOS-3-36451,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1,XPAMYSNMYAYQOI-UHFFFAOYSA-N,3,1,0.489,20,846,412.457,3.086,5,0.405,0.78,1.0,0.5697176341580427,0.3532485778904804,0.2232540607223631,0.17148413405523952,0.32942610170653147
EOS-3-36452,Clc1ccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5nnco5)c4)n23)nn1,OPGFDQNRROIJME-UHFFFAOYSA-N,3,1,0.472,53,964,442.226,2.912,5,0.375,0.56,0.952,0.4229062435748064,0.527182852443287,0.23423685833733124,0.3339301624288945,0.3795640291960798
EOS-3-36453,Cc1cc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)c(F)c2)n[nH]1,YNTYOKPKBIBEBW-UHFFFAOYSA-N,3,1,0.281,30,498,449.453,4.148,6,0.43,0.58,0.695,0.21494414365019532,0.24334349941744912,0.4503889383866767,0.5315091494757042,0.36004643273250636
EOS-3-36454,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)c(C)n5)ncn4)n23)nn1,WLSIXDADBDCKLP-UHFFFAOYSA-N,3,1,0.392,53,587,430.407,2.163,5,0.409,0.55,1.0,0.5019189911589336,0.4771948461380303,0.07122541292577617,0.05595058597765746,0.27657245905009936
EOS-3-36455,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ncccn5)n4)n23)cn1,CKCNUYXEHXAFRB-UHFFFAOYSA-N,3,1,0.27,99,286,423.404,1.019,6,0.403,0.57,1.0,0.021203138921252827,0.024167294907819888,0.00895243643341786,0.00594544582276746,0.015067079021314508
EOS-3-36456,Cc1ncc(-c2cc(COc3cncc4nnc(-c5cnc(F)nc5)n34)no2)nc1F,WGEYHKHAPASQCB-UHFFFAOYSA-N,3,1,0.461,7,434,423.343,2.192,5,0.388,0.66,1.0,0.5223168391474197,0.48140977314783084,0.19878692344595983,0.16876841888835584,0.3428204886573915
EOS-3-36457,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccco5)cc4)n23)cc1,JXHIPYFPSPBLDF-UHFFFAOYSA-N,3,1,0.288,30,498,417.432,4.57,6,0.415,0.77,1.0,0.08145432115687752,0.019558289356452607,0.4322184908505243,0.544745048317456,0.2694940374203276
EOS-3-36458,CN(CCF)C(=O)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccnc(F)c5)cn4)n23)cc1,MFWKXUVUVVBXAM-UHFFFAOYSA-N,3,1,0.311,52,523,472.459,3.491,5,0.349,0.69,0.954,0.12383489822493318,0.1271074635049003,0.2776883010074704,0.2637841820300185,0.1981037111918306
EOS-3-36459,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)nn1,MRKQTFULPHLVRX-UHFFFAOYSA-N,3,1,0.333,10,813,467.884,3.154,6,0.384,0.6,0.986,0.059994174491124666,0.17669282434377356,0.1659070659995888,0.31207593722157495,0.17866750051401548
EOS-3-36460,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)s2)nc1,SLWGXTGMSNCZTO-UHFFFAOYSA-N,3,1,0.274,76,195,439.479,4.907,6,0.39,0.71,0.971,0.00942361729833459,0.052326776780206974,0.583116304571311,0.6458690288534028,0.32268393187581385
EOS-3-36461,Cn1ccnc1-c1ncncc1-c1nnc2cncc(OCCc3cccc(F)n3)n12,WQONPZIENRCVLV-UHFFFAOYSA-N,3,1,0.439,65,510,417.408,2.137,5,0.387,0.68,1.0,0.5667192104722089,0.44183914741964225,0.10947673223219793,0.11612466588993214,0.3085399390034953
EOS-3-36462,Fc1cncc(F)c1-c1ccnc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,PNHSJUQLCSANFE-UHFFFAOYSA-N,3,1,0.425,46,160,451.824,4.154,5,0.396,0.6,1.0,0.7613940100061681,0.6996778836268933,0.8649509971900486,0.882581728462751,0.8021511548214653
EOS-3-36463,CC(N)(c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)cn4)n23)cn1)C1CC1,VECWDKZJHJVPQN-UHFFFAOYSA-N,3,1,0.383,66,455,425.418,3.851,5,0.534,0.56,0.992,0.20969261873757797,0.2841134946199712,0.8847834281406346,0.8598965115482147,0.5596215132615996
EOS-3-36464,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cc1,BLYNHRCJVYUZDT-UHFFFAOYSA-N,3,1,0.522,19,207,413.416,3.404,5,0.421,0.74,1.0,0.6346377904187512,0.6406860393393188,0.49209272839421564,0.5414039476389555,0.5772051264478103
EOS-3-36465,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1cccnn1,QTWOJZWXPINESJ-UHFFFAOYSA-N,3,1,0.552,37,265,465.851,4.196,5,0.371,0.65,1.0,0.9651497498457954,0.9554691248029608,0.8575834418477143,0.8741004728942499,0.9130756973476801
EOS-3-36466,COc1nc(-c2cncc(F)c2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,YEFYIPGSLQEISI-UHFFFAOYSA-N,3,1,0.517,4,71,463.86,4.023,5,0.372,0.67,0.988,0.6771640052086902,0.7323692687272977,0.6083373312315811,0.5768453156055102,0.6486789801932697
EOS-3-36467,COc1cc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)ccc1-c1cnc(C)o1,JPJOJIIDMABTSP-UHFFFAOYSA-N,3,1,0.429,14,358,449.873,5.147,5,0.369,0.8,1.0,0.7468131039681996,0.7046209992461107,0.8882273319169351,0.8405609622369954,0.7950555993420602
EOS-3-36468,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccnn6)cnn5)n34)nc2)c1,PHLCEFDEWUIUMM-UHFFFAOYSA-N,3,1,0.294,70,887,448.425,3.301,6,0.4,0.54,0.993,0.20408128298266054,0.2635528750599685,0.42114145706257283,0.4763724213556302,0.34128700911520804
EOS-3-36469,COc1cc(-c2nnc3cncc(Cc4cc(F)c(-c5cncc(C#N)n5)cn4)n23)ccc1Cl,XFIYXXBTNYCNKQ-UHFFFAOYSA-N,3,1,0.382,85,81,472.871,3.907,5,0.378,0.65,1.0,0.6523798917140703,0.6945976972106093,0.7886453978479885,0.7738331848399699,0.7273640429031595
EOS-3-36470,Cn1ccnc1-c1cnnc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,OQANKPAVXUTJPY-UHFFFAOYSA-N,3,1,0.379,92,65,420.824,2.004,5,0.42,0.6,0.978,0.2963042286340895,0.33873620725104514,0.10161229525049688,0.11835206634226578,0.21375119936947434
EOS-3-36471,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,AEGHVGOMIJMSIO-UHFFFAOYSA-N,3,1,0.53,75,262,448.849,3.452,5,0.389,0.56,1.0,0.8940871084915358,0.8248320882735933,0.5200037694469193,0.5477777397025564,0.6966751764786513
EOS-3-36472,OCc1cnc(-c2cnnc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c2)cn1,UZBWPBSZTLUMQJ-UHFFFAOYSA-N,3,1,0.424,54,511,448.393,2.388,5,0.417,0.57,0.967,0.5276111986841203,0.43765848810910835,0.6083458981563977,0.5924970872455624,0.5415281680487971
EOS-3-36473,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)cc1,GGNLDEOQUPBCBR-UHFFFAOYSA-N,3,1,0.319,69,885,433.5,5.039,6,0.387,0.76,1.0,0.08583201973819478,0.11076177095469811,0.432227057775341,0.517999109039819,0.2867049893770132
EOS-3-36474,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)c2)cn1,FIIOWBCDERJCLO-UHFFFAOYSA-N,3,1,0.475,65,858,446.421,3.246,5,0.366,0.62,0.999,0.7437290110341992,0.7092471386471112,0.5958381879240627,0.514752244534302,0.6408916455349187
EOS-3-36475,OCc1noc(-c2ccc(F)c(-c3nnc4cncc(Oc5ccnc(-c6cnco6)n5)n34)c2)n1,AIJKYUFSTCVEFT-UHFFFAOYSA-N,3,1,0.353,80,318,473.384,2.71,6,0.377,0.68,1.0,0.620459529847166,0.5503820848468234,0.17889452402165718,0.16330272085532177,0.37825971489274207
EOS-3-36476,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)ccn1,IOCYNALMCCSTMB-UHFFFAOYSA-N,3,1,0.454,87,838,444.886,3.622,5,0.391,0.58,1.0,0.5667277773970255,0.6507950106229867,0.37773284901651705,0.3887756151052018,0.49600781303543273
EOS-3-36477,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)cc1,WXZQLIGBBRTLRO-UHFFFAOYSA-N,3,1,0.519,7,408,414.404,3.065,5,0.432,0.69,1.0,0.7927318209855391,0.7719570283051196,0.4069032280172709,0.3562384346514975,0.5819576279898567
EOS-3-36478,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)[nH]n2)ccn1,DCGGRLDQOFIGMG-UHFFFAOYSA-N,3,1,0.483,4,963,418.848,3.512,5,0.465,0.65,1.0,0.3039973271194572,0.35826879583304777,0.47141217188677953,0.4704269755328627,0.4010263175930368
EOS-3-36479,Cn1ncc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c1-c1ccc(F)cn1,KUVSQQHXAWIYPJ-UHFFFAOYSA-N,3,1,0.345,50,336,415.392,1.887,5,0.474,0.59,0.992,0.17044753615242272,0.18928620382427525,0.15339078884243712,0.15024672743472003,0.16584281406346377
EOS-3-36480,Cc1cc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nnc1Cl,LWZQWULAKHPWDR-UHFFFAOYSA-N,3,1,0.455,53,466,445.874,3.017,5,0.388,0.55,0.998,0.5722962785278597,0.5315605510246042,0.24854362278116648,0.2755294359536701,0.40698247207182514
EOS-3-36481,Cc1cccc(OCc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)n1,XEOWMPYTBBWRIA-UHFFFAOYSA-N,3,1,0.356,14,487,413.416,3.67,5,0.434,0.77,1.0,0.6038396957028305,0.6406946062641354,0.5635151805907751,0.4977640326228497,0.5764533787951477
EOS-3-36482,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)cn1,GCRCXVLLYFNKEE-UHFFFAOYSA-N,3,1,0.573,4,401,413.416,3.67,5,0.434,0.77,1.0,0.767485093550819,0.6652131450894387,0.5504420533205401,0.5011222671509835,0.6210656397779453
EOS-3-36483,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cnc(F)cn5)s4)n23)cc1,QVUXOWAZSGTHBL-UHFFFAOYSA-N,3,1,0.347,98,42,456.47,3.306,6,0.397,0.59,1.0,0.12655061339181686,0.24335206634226578,0.12623363717360017,0.16331128778013845,0.16486190117195532
EOS-3-36484,COc1cccc(F)c1COc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,VPQZCWSJFVGUAB-UHFFFAOYSA-N,3,1,0.412,97,157,462.872,4.628,5,0.34,0.78,1.0,0.7614025769309849,0.6652217120142554,0.8499503118360633,0.812358645740525,0.7722333116304572
EOS-3-36485,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cnn2)n1,GDIKGSBZFHAIPJ-UHFFFAOYSA-N,3,1,0.465,58,304,439.414,2.671,5,0.392,0.55,0.148,0.8013415804262902,0.7590381056815846,0.42492803783154,0.42635871427592353,0.6029166095538345
EOS-3-36486,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)c(F)c1,LYHRBLFHLBUWMV-UHFFFAOYSA-N,3,1,0.467,73,79,454.828,3.492,5,0.401,0.6,1.0,0.5223254060722363,0.602845932424097,0.7043297238023439,0.7408248235213488,0.6425814714550065
EOS-3-36487,CC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,QZHIZHRRGDHODB-UHFFFAOYSA-N,3,1,0.343,62,376,460.541,5.145,6,0.371,0.78,1.0,0.10552737989171407,0.024175861832636557,0.1596789116578713,0.2904273182098554,0.14495236789801935
EOS-3-36488,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nn3)n12,KAZHQGNLEZTGSE-UHFFFAOYSA-N,3,1,0.455,54,411,420.433,2.86,5,0.413,0.64,0.853,0.6262936056473168,0.5789013775615105,0.17569049414022342,0.21081488588856145,0.397925090809403
EOS-3-36489,OCc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ccn2)ccn1,RGYDPEXPRWFMAV-UHFFFAOYSA-N,3,1,0.442,75,183,463.86,3.507,5,0.407,0.62,1.0,0.7816033856486876,0.6557466931670207,0.8016671235693236,0.7691128092659859,0.7520325029127545
EOS-3-36490,CCOCc1nnc(-c2cc(COc3cncc4nnc(-c5cccnc5)n34)n(C)n2)n1C,NLPKQGATDQZWHN-UHFFFAOYSA-N,3,1,0.398,92,105,446.475,1.831,5,0.351,0.63,0.725,0.1704561030772394,0.14481529710095264,0.008027208553217736,0.004754643273250634,0.08201331300116511
EOS-3-36491,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)s1,FYXNBSBECHFVNP-UHFFFAOYSA-N,3,1,0.396,33,53,485.533,2.879,6,0.369,0.84,1.0,0.21233123158111164,0.056164759098074155,0.026343293811253513,0.02763689945857035,0.0806190459872524
EOS-3-36492,c1cc(-c2cncnc2)nc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)c1,HWUDYBPRBYLZGT-UHFFFAOYSA-N,3,1,0.307,38,865,419.408,3.36,6,0.423,0.62,1.0,0.17046467000205606,0.13035432801041738,0.3511839490096635,0.3435936536220958,0.24889915016105818
EOS-3-36493,Fc1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cc1,ZJWLCJUMMMSPQW-UHFFFAOYSA-N,3,1,0.355,3,923,459.441,4.91,6,0.37,0.76,1.0,0.3012816119525735,0.4640360496196285,0.67495373860599,0.7511479679254335,0.5478548420259064
EOS-3-36494,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccccc5Cl)c4)n23)cn1,OQEZFOXMXGASCD-UHFFFAOYSA-N,3,1,0.329,10,693,465.908,4.364,6,0.381,0.67,1.0,0.17047323692687272,0.2532297306558838,0.49541669522308274,0.5768538825303269,0.37399338633404156
EOS-3-36495,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5nccnc5C)n34)c(Cl)c2)s1,LOTVCROMEIFMQT-UHFFFAOYSA-N,3,1,0.541,37,563,464.942,3.992,5,0.371,0.69,1.0,0.532494345829621,0.7046295661709273,0.09412480296072921,0.1252655746693167,0.36412857240764857
EOS-3-36496,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)nc1,HOSUYDLUMQIGAU-UHFFFAOYSA-N,3,1,0.471,13,412,438.278,4.686,5,0.405,0.7,1.0,0.5924456856966623,0.7462476869302995,0.7043382907271606,0.7563052566650675,0.6998342300047975
EOS-3-36497,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)nc1,KFWFOWKXZBIKES-UHFFFAOYSA-N,3,1,0.407,46,949,436.357,3.035,5,0.387,0.6,1.0,0.7787077650606539,0.6799739565485573,0.6882496059214585,0.6686998834898225,0.703907802755123
EOS-3-36498,N#Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4Cl)n23)c1,ZSEXPVVTFSVFLI-UHFFFAOYSA-N,3,1,0.473,4,338,458.844,3.886,5,0.364,0.68,0.999,0.6919076828181756,0.8614813926392982,0.7908042629017887,0.7970581180179562,0.7853128640943047
EOS-3-36499,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(C#N)cc4F)n23)n(C)n1,UZJKPLDJVWTHNI-UHFFFAOYSA-N,3,1,0.43,36,292,416.38,2.123,5,0.436,0.71,1.0,0.4968302378178329,0.6173840038379823,0.2590466726064012,0.272359673771503,0.41140514700842984
EOS-3-36501,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ncn2)c(F)c1,PRKXSGLAZQSXBF-UHFFFAOYSA-N,3,1,0.522,44,130,449.396,3.682,5,0.365,0.61,0.998,0.8667671852511822,0.8286101021177438,0.8283016928243437,0.8304948255774107,0.8385434514426702
EOS-3-36502,Cn1cc(-c2cc(Cl)cc(-c3nnc4cncc(Oc5ncc(Cl)cc5F)n34)c2)cn1,XWXYKCCXIZSNAN-UHFFFAOYSA-N,3,1,0.419,13,706,456.268,4.825,5,0.386,0.76,1.0,0.5045147693783839,0.5937906928928792,0.8678637516277157,0.8838753341100678,0.7125111370022617
EOS-3-36503,CC(C)(O)c1cnc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)cn1,ZGYFZPIENHYAAS-UHFFFAOYSA-N,3,1,0.433,68,127,413.388,2.72,4,0.514,0.73,0.923,0.4942515934480159,0.46404461654444523,0.7524758412720169,0.4915358782811322,0.5505769823864025
EOS-3-36504,CCn1ncnc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1Cl,UMCWFCAUGXSXHQ-UHFFFAOYSA-N,3,1,0.447,36,212,468.308,3.746,5,0.371,0.66,0.999,0.4005208690288534,0.6310739496950175,0.252193132753067,0.35624700157631417,0.410008738263313
EOS-3-36505,COc1cc(-c2cnn(C)c2)ccc1-c1nnc2cncc(OCc3ccc(-n4cnnn4)cc3)n12,WUXOEYSXXUHFRQ-UHFFFAOYSA-N,3,1,0.427,71,807,480.492,2.755,6,0.339,0.79,1.0,0.20408984990747722,0.12711603042971695,0.42838050853265713,0.2785535604139538,0.25953498732095126
EOS-3-36506,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)c1,UVOKXIONQWQQAM-UHFFFAOYSA-N,3,1,0.356,31,211,465.88,3.274,5,0.337,0.68,1.0,0.41823726954972246,0.32900418065931053,0.2129309163182784,0.23711534507573162,0.29932192790076073
EOS-3-36507,N#Cc1ccnc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)c2)c1,JEXXDPMILJSZPN-UHFFFAOYSA-N,3,1,0.462,13,145,442.841,5.31,5,0.374,0.8,1.0,0.8513038859570968,0.8701853882530327,0.9556233294496608,0.9620056884380783,0.9097795730244671
EOS-3-36508,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnc(F)cc4F)n23)c(Cl)c1,OZZYRYSLERXRBE-UHFFFAOYSA-N,3,1,0.528,26,832,467.867,4.14,5,0.349,0.71,1.0,0.8143890069220753,0.8208827359331095,0.8516208621753135,0.8461808649167295,0.8332683674868069
EOS-3-36509,CCn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(Cl)c(C)c1,OWCQDUYGBYHYHQ-UHFFFAOYSA-N,3,1,0.457,95,493,459.941,4.653,5,0.352,0.81,1.0,0.2718113905832362,0.2893136179836886,0.40691179494208757,0.43881502295935854,0.35171295661709273
EOS-3-36510,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccncc5F)cn4)n23)nn1C,LMKJXEQHMSCUMD-UHFFFAOYSA-N,3,1,0.422,92,119,416.42,3.008,5,0.435,0.68,1.0,0.36686998834898227,0.3582773627578644,0.3472688643684463,0.29948255774107324,0.3429746933040916
EOS-3-36511,COc1ncc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1-c1cccc(C#N)c1,LZSSESZMTKQBPH-UHFFFAOYSA-N,3,1,0.671,91,660,466.476,4.494,5,0.348,0.81,1.0,0.9100558563498047,0.8918083064903023,0.848202659173463,0.792526214789939,0.8606482592008773
EOS-3-36512,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)nc1,RWIOQLZMNKCMGR-UHFFFAOYSA-N,3,1,0.298,70,687,421.424,3.304,6,0.426,0.58,0.999,0.1624117606743883,0.07146528682064286,0.23760365979028167,0.21931327530669592,0.17269849564800221
EOS-3-36513,CCn1ccnc1-c1ccc(C(F)c2nnc3cncc(COc4cccnc4)n23)cc1,FEYCYTBKMOUJHU-UHFFFAOYSA-N,3,1,0.33,14,351,429.459,4.041,5,0.388,0.65,1.0,0.33681721609211157,0.19840141182920978,0.6258823932561168,0.4792937427181139,0.410098690973888
EOS-3-36514,Fc1ccc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)cc1-c1ccnnc1,CUIAKSUTZDIGMN-UHFFFAOYSA-N,3,1,0.645,13,15,418.819,4.833,5,0.416,0.75,1.0,0.7956360084983894,0.9198050167911727,0.9188712219861559,0.9403056678774587,0.8936544787882942
EOS-3-36515,Fc1ccncc1CCOc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,KKNZXVUUDYNYGM-UHFFFAOYSA-N,3,1,0.593,75,496,418.457,4.07,5,0.414,0.71,1.0,0.7927403879103557,0.6946062641354259,0.6203224590500994,0.6138115961894318,0.6803701768213282
EOS-3-36516,CCn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1F,MIRRIMIAIDHMTE-UHFFFAOYSA-N,3,1,0.467,13,145,436.397,4.884,5,0.393,0.72,1.0,0.722560139812213,0.7719655952299362,0.9263158796518401,0.9127801384415051,0.8334054382838736
EOS-3-36517,CCc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)nn2C)c1,KADUZDSMYJOPAE-UHFFFAOYSA-N,3,1,0.398,95,477,444.474,3.305,5,0.355,0.68,1.0,0.37135905695291616,0.3438677952162292,0.21623774929751216,0.17975978342814064,0.27780609622369956
EOS-3-36518,Cc1cc(CCOc2cncc3nnc(-c4cccc(-c5cnc(C)c(F)c5)c4)n23)ccn1,VYAFRCHFOCOYFE-UHFFFAOYSA-N,3,1,0.562,11,655,440.482,4.626,5,0.383,0.73,1.0,0.7956445754232061,0.7370468096771983,0.7327290795695977,0.6400006853539854,0.7263552875059968
EOS-3-36519,Cc1nc(-c2cnc(COc3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)nn2)no1,FMNCNEPEKZZOEL-UHFFFAOYSA-N,3,1,0.351,80,874,467.413,1.161,6,0.34,0.7,1.0,0.3368257830169282,0.2737046809677198,0.008035775478034404,0.004411966280583921,0.15574455143581659
EOS-3-36520,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)s1,KGCJTMZUOXIGDA-UHFFFAOYSA-N,3,1,0.511,87,304,449.927,4.288,5,0.382,0.66,1.0,0.677172572133507,0.8320797066684943,0.3140805976286752,0.34034678911657873,0.5409199163868138
EOS-3-36521,NC(=O)c1ccc(-c2nnc3cncc(CCc4nc(-c5cccnn5)ns4)n23)nc1,ZBDLMNOSANVDPQ-UHFFFAOYSA-N,3,1,0.354,85,580,430.457,1.379,5,0.421,0.51,0.997,0.032614282777054346,0.06411486532794188,0.00442053320540059,0.002869919813583716,0.02600490028099513
EOS-3-36522,Fc1ccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)n2)c(F)n1,FNGMIJAAZRLGOX-UHFFFAOYSA-N,3,1,0.262,86,977,466.415,3.441,6,0.36,0.62,1.0,0.3437992598176958,0.4057295593173874,0.36593619354396545,0.3887841820300185,0.3760622986772668
EOS-3-36523,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4ccsc4)n3)n12,VVEFHQQXPLVWAQ-UHFFFAOYSA-N,3,1,0.483,2,401,434.912,4.851,5,0.393,0.75,1.0,0.6204680967719828,0.7678192036186691,0.5831248714961278,0.6166215475292989,0.6470084298540197
EOS-3-36524,Cc1ccnc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)n1,XKVZMISEMCDQDF-UHFFFAOYSA-N,3,1,0.44,75,525,414.404,3.065,5,0.404,0.74,1.0,0.6263021725721335,0.5841100678500446,0.36977417586183264,0.31528853402782536,0.473868737577959
EOS-3-36525,Cc1nc(-c2cc(COc3cncc4nnc(-c5cncc(Cl)c5)n34)ncn2)no1,ZOWPHNVRPVVLKI-UHFFFAOYSA-N,3,1,0.462,7,85,421.808,2.567,5,0.417,0.64,1.0,0.40703173188952096,0.504617572476184,0.10162086217531355,0.13158796518401755,0.28621453293125904
EOS-3-36526,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)ccc4Cl)n23)cn1,XEWWHWKXBWOSCU-UHFFFAOYSA-N,3,1,0.576,35,215,464.316,4.572,5,0.34,0.74,1.0,0.8418974025083956,0.8756939209101501,0.7949163868137893,0.8364317044753615,0.8372348536769241
EOS-3-36527,COc1cccc(-c2ncccc2-c2nnc3cncc(-c4cncc(-c5cc[nH]n5)c4)n23)n1,VZONKBVLSVGHSC-UHFFFAOYSA-N,3,1,0.263,32,392,447.462,3.709,6,0.425,0.57,0.999,0.27423583030635323,0.19840997875402647,0.339695702830512,0.2844304708381879,0.2741929956822699
EOS-3-36528,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ncn4)n23)nc1,YUBWEHBEMKULQA-UHFFFAOYSA-N,3,1,0.398,46,354,425.387,2.628,5,0.39,0.61,1.0,0.527619765608937,0.55039065177164,0.5737954903707765,0.527979576451237,0.5449463710506477
EOS-3-36529,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnoc5)nc4)n23)cn1,AHRQESQOVXHWNV-UHFFFAOYSA-N,3,1,0.542,27,430,421.367,3.753,5,0.408,0.69,1.0,0.6801709958193407,0.5226595161400863,0.7886539647728051,0.6687084504146391,0.6650482317867178
EOS-3-36530,Cc1nc(-c2cc(F)nc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cs1,CCMBBLCKZPYVIG-UHFFFAOYSA-N,3,1,0.419,46,267,453.89,4.385,5,0.364,0.72,1.0,0.5749348913713933,0.665230278939072,0.5024672743472003,0.5180076759646357,0.5651600301555754
EOS-3-36531,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5cccnc5-c5cccnn5)n34)nc2)nn1,AAVMSJMWINYICR-UHFFFAOYSA-N,3,1,0.346,81,887,460.461,3.596,6,0.376,0.62,1.0,0.3319426358714276,0.23791206908368173,0.20222226029744364,0.1687769858131725,0.23521348776643133
EOS-3-36532,Cc1csc(-c2nsc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5F)n34)n2)c1,FZELIPOTNBLMPS-UHFFFAOYSA-N,3,1,0.343,74,295,477.55,4.378,6,0.404,0.75,1.0,0.06173326022890823,0.21749708724556233,0.06925502021794257,0.13571722294565142,0.12105064765951613
EOS-3-36533,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)c(F)c1,JNPYBVDCKZQSPH-UHFFFAOYSA-N,3,1,0.429,26,606,447.449,4.235,5,0.387,0.64,1.0,0.6648876019464053,0.5315691179494209,0.7452967582756493,0.6486447124940031,0.6475995476663696
EOS-3-36535,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccsn5)c4)n23)cc1F,NEAIKSVVOBTHRX-UHFFFAOYSA-N,3,1,0.663,84,360,436.447,4.21,5,0.397,0.67,1.0,0.7073110136385443,0.679982523473374,0.8016756904941402,0.790255979713522,0.7448063018298952
EOS-3-36536,Cc1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(OC(F)F)n5)n4)n23)cn1,XHVCQDYALRLWCY-UHFFFAOYSA-N,3,1,0.333,50,243,421.371,2.739,5,0.426,0.61,0.922,0.20134843396614352,0.3246778836268933,0.39227948735521895,0.34675484887944624,0.3162651634569255
EOS-3-36537,COc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)ncn2)nn1,BYLZSSMYKYMGPK-UHFFFAOYSA-N,3,1,0.448,7,185,457.414,0.515,5,0.358,0.59,1.0,0.38762764717976833,0.1448238640257693,0.019481187033102598,0.00520012336371736,0.13928320540058942
EOS-3-36538,Cc1nc(-c2cnc(=N)[nH]c2)cc(-c2nnc3cncc(OCCc4cccnc4F)n23)n1,LMMKFGWTFRLLIK-UHFFFAOYSA-N,3,1,0.394,18,531,444.434,1.915,5,0.378,0.71,1.0,0.5300699061065041,0.37248132410389967,0.172503598108423,0.12302104036734973,0.29951896717154414
EOS-3-36539,Cc1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6C)nc5)n34)cc2)n1,JSRUWJWQAXDHHT-UHFFFAOYSA-N,3,1,0.301,9,220,456.513,4.989,6,0.369,0.75,1.0,0.11313480912891509,0.1165615790555822,0.49894626824754984,0.47638098828044684,0.3012559111781235
EOS-3-36540,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4ccns4)n3)n12,MWRZUSCKZYBDJG-UHFFFAOYSA-N,3,1,0.529,73,401,439.863,4.076,5,0.407,0.64,1.0,0.6232609142622164,0.8523490507847303,0.5671218559385923,0.6515317661572202,0.6735658967856898
EOS-3-36541,c1ccc(-c2ncnnc2-c2nnc3cncc(OCc4cncc(-n5cccn5)n4)n23)cc1,HTJTXEVISMFCLR-UHFFFAOYSA-N,3,1,0.35,6,880,449.438,2.198,6,0.372,0.58,0.998,0.14012918922623535,0.05233534370502364,0.05547083818792406,0.07232197930230964,0.08006433760537317
EOS-3-36542,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4cc(F)cc(Cl)c4)ncn3)n12,SNYNDUXBYJSBOE-UHFFFAOYSA-N,3,1,0.489,31,194,464.892,3.704,5,0.378,0.65,0.999,0.4182458364745391,0.42862894935234047,0.41743197861695563,0.4610119251593448,0.431329672400795
EOS-3-36543,Cc1cc(-c2cncn2C)cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)c1,JJHCSLCJZUVLKS-UHFFFAOYSA-N,3,1,0.447,26,482,464.892,3.704,5,0.378,0.62,1.0,0.5532348708107737,0.5363494619971215,0.49895483517236655,0.4946713727640326,0.5208026351860736
EOS-3-36544,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5F)n34)cn2)c1,LAAGSVQXWJNDNR-UHFFFAOYSA-N,3,1,0.354,3,923,464.439,4.651,6,0.375,0.68,1.0,0.29631279555890616,0.437667055033925,0.8545935850866972,0.8782468645055171,0.6167050750462614
EOS-3-36545,N#Cc1cccc(-c2cccc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)c1,SDNYTMDYAOYJLU-UHFFFAOYSA-N,3,1,0.443,79,18,421.435,5.048,5,0.397,0.81,1.0,0.7041498183811938,0.7888767048180385,0.947390514700843,0.9515112055376602,0.8479820608594338
EOS-3-36546,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)cc1Cl,PQTWISYAXYNPNI-UHFFFAOYSA-N,3,1,0.583,88,429,464.863,4.801,5,0.359,0.74,1.0,0.9673171818244123,0.9470221369337263,0.9218696456719896,0.9325011993694743,0.9421775409499007
EOS-3-36547,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc6ccc(F)cc6n5)n34)cc2)c1,AFKSIWKUORAIOQ-UHFFFAOYSA-N,3,1,0.39,83,550,436.425,5.347,6,0.374,0.83,1.0,0.3169847851415256,0.5454989377013227,0.9044530875197039,0.9403142348022754,0.6768127612912069
EOS-3-36548,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cnn1,XSPPYYHOYMOGNK-UHFFFAOYSA-N,3,1,0.45,37,778,466.839,3.591,5,0.374,0.62,0.997,0.7287540264546638,0.7678277705434857,0.5769481187033103,0.6657614282777055,0.6848228359947914
EOS-3-36549,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)nc5)n34)cc2)nn1,INZGJAHBIGNAMY-UHFFFAOYSA-N,3,1,0.314,32,339,461.464,4.215,6,0.359,0.66,1.0,0.282545747378521,0.33874477417586185,0.4921012953190323,0.49467993968884927,0.4020179391405661
EOS-3-36550,Cc1cc(F)cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)c1,VNMLJAODNMHLJK-UHFFFAOYSA-N,3,1,0.387,46,196,448.849,3.718,5,0.4,0.57,0.988,0.5895243643341787,0.5598742375436914,0.5024758412720169,0.5414125145637722,0.5483217394284148
EOS-3-36551,Cc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc1-c1ccnnc1,SRBNLOJYDKYBAQ-UHFFFAOYSA-N,3,1,0.404,46,564,448.849,3.718,5,0.4,0.57,1.0,0.7287625933794805,0.6262507710232335,0.6691967651291892,0.6569546295661709,0.6702911897745185
EOS-3-36552,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)c(F)c1,PPBPJFUPRNSTFC-UHFFFAOYSA-N,3,1,0.467,59,577,452.371,4.384,5,0.368,0.7,1.0,0.864531217874032,0.8458981563977794,0.9589558632033446,0.9572853128640944,0.9066676375848126
EOS-3-36553,Clc1ccc(CCOc2cncc3nnc(-c4cnc(-c5cncs5)cn4)n23)s1,ZTNYKPDTTIWVEL-UHFFFAOYSA-N,3,1,0.466,18,720,441.929,4.041,5,0.392,0.62,1.0,0.5980398876019464,0.6604499348913714,0.1987954903707765,0.27236824069631965,0.4324133883901035
EOS-3-36554,CCn1nccc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cn(C)nn5)c4)n23)nc1,YSHHMWARXHNICP-UHFFFAOYSA-N,3,1,0.243,70,813,449.482,2.927,6,0.394,0.57,1.0,0.024330066479336578,0.006742169830717566,0.1292063600849839,0.11613323281474881,0.06910295730244671
EOS-3-36556,CCc1ccc(-c2nnc3cncc(CCc4ccc(-c5cncc(C)n5)cn4)n23)cc1,QQZHQPBWCMBTHM-UHFFFAOYSA-N,3,1,0.391,14,886,421.508,4.299,5,0.407,0.68,1.0,0.20686553354807757,0.16014152559797135,0.33970426975532864,0.2667654718662189,0.24336920019189912
EOS-3-36557,Cn1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1-c1ccccn1,SLBDAQSBMUHPSB-UHFFFAOYSA-N,3,1,0.646,84,360,448.889,4.606,5,0.379,0.7,1.0,0.8143975738468919,0.7231169899252964,0.8337159893084778,0.832499485984511,0.8009325097662943
EOS-3-36558,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cncc(F)n4)n23)c1,OJOUJTSNRNYSPF-UHFFFAOYSA-N,3,1,0.388,7,905,417.408,2.578,5,0.415,0.68,0.999,0.4027054348571037,0.3582859296826811,0.2698238640257693,0.21670036323761221,0.3118788979507916
EOS-3-36559,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccncn5)n34)[nH]n2)c1F,XVDBNNSNDRXKNX-UHFFFAOYSA-N,3,1,0.433,37,963,420.383,2.871,5,0.45,0.62,0.974,0.5325029127544376,0.42422554999657325,0.5831334384209444,0.5983568638201631,0.5345546912480297
EOS-3-36560,Clc1ccc(-c2nnc3cncc(OCc4ncnc(-c5cccc(Cl)n5)n4)n23)cn1,ZMWWYCLBTYSSGX-UHFFFAOYSA-N,3,1,0.409,55,839,452.265,3.319,5,0.37,0.59,1.0,0.634646357343568,0.8170447536152423,0.2590552395312179,0.38228188609416763,0.523257059146049
EOS-3-36561,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(OC)n4)n23)ccn1,LDHOMMCNEGBCAZ-UHFFFAOYSA-N,3,1,0.43,65,624,443.471,2.49,5,0.356,0.62,1.0,0.2742443972311699,0.09466451922417929,0.07989514084024399,0.03894524021657186,0.12193732437804125
EOS-3-36562,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5Cl)n34)nc(C)n2)nn1,BATRWJNFAQGVDM-UHFFFAOYSA-N,3,1,0.378,53,564,463.864,3.422,5,0.386,0.6,0.985,0.6263107394969502,0.5046261394010007,0.35119251593448014,0.3662703036118155,0.46209992461106164
EOS-3-36563,COc1nc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1-c1cc(C)nn1C,CUCYMXQXGLWBBA-UHFFFAOYSA-N,3,1,0.444,31,456,443.471,2.315,5,0.373,0.6,1.0,0.2851586594476047,0.08530087039956137,0.08484682338427799,0.036546501267904874,0.12296321362483724
EOS-3-36564,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)n5)n34)ccc2F)n1,FHSZBDRKNPZDKE-UHFFFAOYSA-N,3,1,0.473,27,911,471.378,3.114,5,0.36,0.65,0.998,0.6263193064217668,0.7416643821533823,0.7754437667055034,0.5983654307449798,0.685448221506408
EOS-3-36565,COc1cc(-c2ccc(C)nn2)ccc1-c1nnc2cncc(-c3cn(-c4cccnn4)nn3)n12,NXCCGTXAIWAALN-UHFFFAOYSA-N,3,1,0.315,98,63,463.465,2.603,6,0.375,0.6,1.0,0.016328558700568842,0.028956205880337194,0.13835583578918512,0.10892844904393119,0.07314226235350559
EOS-3-36566,CCCc1cc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)n(C)n1,GJJGBJPJRPIEGU-UHFFFAOYSA-N,3,1,0.478,92,986,432.513,3.575,5,0.388,0.67,1.0,0.2988571722294565,0.217505654170379,0.05143581659927352,0.038953807141388526,0.1516881125351244
EOS-3-36567,Fc1c(Cl)ccc(-c2nnc3cncc(OCCc4ccc(-n5cnnn5)cn4)n23)c1F,KVYIHVVTWRZLCR-UHFFFAOYSA-N,3,1,0.489,37,563,455.816,2.715,5,0.359,0.62,1.0,0.5325114796792544,0.7139075457473785,0.6347748612158179,0.6687170173394559,0.6374777259954767
EOS-3-36568,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccccn6)nc5)n34)c2)cn1,SAAZNMNGPXXIHE-UHFFFAOYSA-N,3,1,0.275,42,106,443.474,4.076,6,0.401,0.57,1.0,0.1376447810294017,0.08530943732437804,0.347277431293263,0.3339387293537112,0.2260425947501885
EOS-3-36569,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)cn1,BPNJCOXVEJPWEF-UHFFFAOYSA-N,3,1,0.541,97,157,413.416,3.67,5,0.406,0.78,1.0,0.6289750531149338,0.4955280652456994,0.6555239531217874,0.5738040572955931,0.5884577821945034
EOS-3-36570,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)cn2)cn1,BUKDQPJQCZXRGC-UHFFFAOYSA-N,3,1,0.533,65,981,442.458,3.416,5,0.394,0.61,1.0,0.7163062846960455,0.7931601672263724,0.37384346514974987,0.27856212733877045,0.5404680111027346
EOS-3-36571,Cc1cc(-c2nncn2C)ncc1-c1nnc2cncc(-c3ccc(-c4ncnn4C)nc3)n12,PPJOZFDTQCOCMA-UHFFFAOYSA-N,3,1,0.257,99,286,450.47,2.148,6,0.396,0.54,0.998,0.06346377904187513,0.03785724076485505,0.03718902062915496,0.03235727503255431,0.04271682886710986
EOS-3-36572,Cc1nnccc1-c1cnnc(COc2cncc3nnc(-c4ccc(C(N)=O)nn4)n23)c1,TYUWCJZMBSFHAG-UHFFFAOYSA-N,3,1,0.364,53,587,441.415,0.815,5,0.395,0.55,0.999,0.31181036255225825,0.10093550818998012,0.025289562058803373,0.013013158796518402,0.11276214789939003
EOS-3-36573,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc(F)cc(C#N)c5)cc4)n23)n1,ZXYDAXKNIYQOAX-UHFFFAOYSA-N,3,1,0.337,25,74,474.463,3.722,6,0.379,0.65,1.0,0.19856418340072648,0.3724898910287163,0.5302583784524707,0.6196970735384826,0.430252381605099
EOS-3-36574,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)cn5)nc4)n23)cnc1Cl,BHWYYHPJPZCZNU-UHFFFAOYSA-N,3,1,0.455,55,970,470.255,3.458,5,0.356,0.69,0.917,0.860042149270098,0.9010177506682201,0.5096634911932013,0.592505654170379,0.7158072613254747
EOS-3-36575,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)c2)nn1,YIVZUFZVZAVNCE-UHFFFAOYSA-N,3,1,0.446,40,25,462.477,3.018,6,0.367,0.6,1.0,0.24799533959289974,0.2379206360084984,0.30659310533890755,0.2814063463779042,0.26847885682955247
EOS-3-36576,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)[nH]2)c1,FAZXOBQUIFAEFU-UHFFFAOYSA-N,3,1,0.375,3,774,450.893,4.959,6,0.407,0.73,1.0,0.1731461174696731,0.3532571448152971,0.6882581728462751,0.7992598176958399,0.5034803132067713
EOS-3-36578,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nn1,IHXPQTLXWFQGRO-UHFFFAOYSA-N,3,1,0.413,18,88,415.392,2.194,5,0.411,0.67,0.999,0.5276283325337536,0.4376756219587417,0.1953344527448427,0.19595983825645946,0.3391495613734493
EOS-3-36579,c1cc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccsc6)n5)n34)cn2)cs1,CFHQLOSBOMSCHW-UHFFFAOYSA-N,3,1,0.306,86,723,440.517,4.495,6,0.398,0.65,0.955,0.0834846823384278,0.137456308683435,0.24855218970598314,0.3120845041463916,0.19539442121855938
EOS-3-36580,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1cnnn1C,PNEHUNCPVNACPH-UHFFFAOYSA-N,3,1,0.495,15,638,446.446,2.751,5,0.376,0.58,1.0,0.4919470906723323,0.43768418888355837,0.44334692618737576,0.3403553560413954,0.4283333904461655
EOS-3-36581,CCn1cnnc1-c1cc(-c2nnc3cncc(OCc4cc(C(N)=O)cnn4)n23)cs1,UOPDIZHZJYQUJH-UHFFFAOYSA-N,3,1,0.392,92,105,448.472,1.599,5,0.391,0.56,1.0,0.11863477486121582,0.08858200260434515,0.01477794530875197,0.007341854567884313,0.057334144335549314
EOS-3-36582,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4nnccc4-c4ccccc4)n23)c1,LVZFAMRBKLUDAD-UHFFFAOYSA-N,3,1,0.312,30,220,430.475,4.316,6,0.414,0.63,1.0,0.07694811870331025,0.013621410458501817,0.4069203618669043,0.467377150298129,0.24121676033171133
EOS-3-36583,c1cnc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nccc7ccccc67)cc5)n34)n2)nc1,YCUSDSYFYVQVAV-UHFFFAOYSA-N,3,1,0.29,30,289,468.484,4.044,7,0.38,0.67,1.0,0.03647796586937153,0.10759200877253101,0.2198444246453293,0.30909464738537457,0.1682522616681516
EOS-3-36584,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1ccccc1,KMFOAUWDIMZWLL-UHFFFAOYSA-N,3,1,0.457,95,54,415.432,3.347,5,0.423,0.72,1.0,0.43675039407854155,0.372498457953533,0.3030892330888904,0.35002741415941335,0.3655913748200946
EOS-3-36585,Fc1ccccc1-c1cnc(-c2nnc3cncc(-c4nccnc4-c4cccnc4F)n23)cn1,ZVKKBUSRLDAGLI-UHFFFAOYSA-N,3,1,0.35,64,72,465.427,4.046,6,0.359,0.67,0.979,0.2768915769995203,0.34853676924131316,0.5131673634432184,0.6105904324583648,0.4372965355356042
EOS-3-36586,Cc1nccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)cnn4)n23)n1,GLIHHZCSFZYQIK-UHFFFAOYSA-N,3,1,0.367,7,587,416.38,1.855,5,0.418,0.63,0.999,0.45307038585429377,0.4197022136933726,0.13504900280995133,0.11614179973956548,0.2809908505242958
EOS-3-36587,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ncn2)ccn1,WGKPJTLXTJWXLM-UHFFFAOYSA-N,3,1,0.427,46,395,432.394,3.226,5,0.377,0.61,0.871,0.5638749914330752,0.4197107806181893,0.5798865739154273,0.5147608114591187,0.5195582893564525
EOS-3-36588,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccn1,WWIWVFVPQCDFAF-UHFFFAOYSA-N,3,1,0.517,11,848,446.873,4.662,5,0.353,0.73,1.0,0.9145192241792885,0.9034507573161538,0.7524844081968337,0.8013501473511069,0.8429511342608458
EOS-3-36589,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc(-c2ncc(Cl)cn2)c1,UXULKWOLBWHIPG-UHFFFAOYSA-N,3,1,0.556,73,665,468.279,4.668,5,0.37,0.7,1.0,0.9186656157905558,0.952187992598177,0.7300304982523473,0.8244037420327599,0.85632196216846
EOS-3-36590,Cc1ncncc1-c1cc(-c2nnc3cncc(OCCc4cncc(C#N)c4)n23)ncn1,RFHNIMKKRXUGKK-UHFFFAOYSA-N,3,1,0.415,31,194,436.439,2.235,5,0.389,0.59,0.779,0.6204766636967994,0.3678123500788157,0.2662600233020355,0.21932184223151258,0.3684677198272908
EOS-3-36591,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)n1C,ZLJLAASIOUQLIB-UHFFFAOYSA-N,3,1,0.301,22,315,435.413,4.639,5,0.411,0.68,0.454,0.21777979576451237,0.34387636214104583,0.777851072578987,0.7877801384415051,0.5318218422315126
EOS-3-36593,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)c(F)c1,DFSZLRZRRQLSRI-UHFFFAOYSA-N,3,1,0.446,89,398,482.479,3.254,6,0.375,0.75,0.998,0.4253478171475567,0.30451990953327396,0.21985299157014598,0.24857789048043313,0.29957465218285245
EOS-3-36594,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cc[nH]n5)cc4)n23)nc1,VCMMYCAIISRWDC-UHFFFAOYSA-N,3,1,0.34,14,740,410.441,2.527,5,0.46,0.79,0.999,0.1651617435405387,0.10094407511479679,0.2662685902268522,0.19351826468370914,0.1814731683914742
EOS-3-36595,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)c(F)c5)n34)cc2)cn1,OEIMFGAVRKPISA-UHFFFAOYSA-N,3,1,0.337,9,834,452.428,4.584,6,0.393,0.68,1.0,0.3193749571653759,0.4151960112398054,0.8621410458501816,0.8712476869302995,0.6169899252964156
EOS-3-36596,CCc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cncn1C,AVZDCYQHSZNSSP-UHFFFAOYSA-N,3,1,0.406,31,122,446.902,3.777,5,0.366,0.65,0.97,0.3643770132273319,0.4286375162771571,0.25220169967788364,0.24858645740524982,0.3234506716469056
EOS-3-36597,COc1cc(-c2nnc3cncc(-c4cc(-c5cnc(CO)cn5)ccc4F)n23)ccc1C(N)=O,PGQBUBPXUMFEJR-UHFFFAOYSA-N,3,1,0.345,96,648,471.452,2.654,5,0.385,0.68,0.997,0.5069392091015009,0.42864608320197384,0.576956685628127,0.42957131108217395,0.4855283222534439
EOS-3-36598,c1ccc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6cncs6)n5)n34)cn2)nc1,ZLECWYVNESQFDE-UHFFFAOYSA-N,3,1,0.422,6,297,455.463,3.334,6,0.368,0.68,1.0,0.3984476732232198,0.41971934754300594,0.06926358714275924,0.07420670276197656,0.2404093276677404
EOS-3-36599,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccc2F)n1,UAZDRLVTWKUNCT-UHFFFAOYSA-N,3,1,0.5,37,639,449.877,4.001,5,0.364,0.66,1.0,0.7582242478240011,0.8013587142759235,0.6471455006510863,0.6600044548009046,0.7166832293879789
EOS-3-36601,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1Cl,VGCQCYRZQUAJOK-UHFFFAOYSA-N,3,1,0.722,84,56,463.328,5.177,5,0.346,0.85,1.0,0.9389692276060585,0.948033034062093,0.8245922143787267,0.8582345281337811,0.8924572510451648
EOS-3-36602,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1nccs1,SHUKGVQEMKTQAC-UHFFFAOYSA-N,3,1,0.588,11,275,452.902,4.724,5,0.371,0.74,1.0,0.919976355287506,0.9271126036597903,0.6614693989445548,0.7030018504557604,0.8028900520869029
EOS-3-36603,CCn1ncc(-c2cncc3nnc(-c4ccc(-c5ccc(C)cc5)cn4)n23)c1Cl,YTPGRFBGQURLNL-UHFFFAOYSA-N,3,1,0.298,96,523,415.888,4.699,5,0.425,0.83,1.0,0.1296004386265506,0.19377527242820916,0.4714207388115962,0.547786306627373,0.3356456891234323
EOS-3-36604,Cn1ccnc1-c1cnc(-c2nnc3cncc(OCc4ccnc(CO)c4)n23)cc1F,RGQKCYPKDDKZJL-UHFFFAOYSA-N,3,1,0.396,7,62,432.419,2.192,5,0.434,0.56,1.0,0.532520046604071,0.44646528682064285,0.3813566582139675,0.3025238160509903,0.4157164519224179
EOS-3-36605,Cn1cnc(-c2ccc(F)c(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cc1=O,PLIJDFVILMDQDX-UHFFFAOYSA-N,3,1,0.452,4,554,468.901,3.985,5,0.387,0.67,1.0,0.5723048454526763,0.5982883284216298,0.6664981838119388,0.6834863957233911,0.6301444383524091
EOS-3-36606,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nc1,ATTHRAMDFAEJNS-UHFFFAOYSA-N,3,1,0.38,93,651,445.461,5.116,6,0.375,0.75,1.0,0.33443561099307795,0.4286546501267905,0.652748269481187,0.7143016242889453,0.5325350387225002
EOS-3-36607,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)nc2C)n1,WNYMDPYQTJQLHC-UHFFFAOYSA-N,3,1,0.529,49,348,434.463,3.711,5,0.411,0.58,0.691,0.522333972997053,0.3678209170036324,0.45039750531149336,0.33080323487081076,0.4178389075457474
EOS-3-36608,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)on1,DVYFSQILZIWZGZ-UHFFFAOYSA-N,3,1,0.444,2,419,437.822,3.916,5,0.381,0.69,1.0,0.7132650263861284,0.6310825166198342,0.7043468576519772,0.6716297717771229,0.6800810431087657
EOS-3-36609,Cc1ccc(-c2ccnc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)nc1,WRSHWKDXMZMAFD-UHFFFAOYSA-N,3,1,0.406,14,189,412.428,4.275,5,0.429,0.82,1.0,0.39845624014803643,0.4506716469056268,0.6937067370296758,0.6716383387019396,0.5536182406963196
EOS-3-36610,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)ns5)n34)cc2)n1C,VLGZYQCSVNRIKL-UHFFFAOYSA-N,3,1,0.377,9,203,450.531,4.686,6,0.387,0.71,1.0,0.140137756151052,0.09467308614899596,0.19880405729559317,0.21933040915632923,0.16323632718799258
EOS-3-36611,COCc1cc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)cc(C)n2)ccn1,FFVSMFWDRMJEDF-UHFFFAOYSA-N,3,1,0.452,75,361,454.494,3.115,5,0.349,0.62,1.0,0.43675896100335826,0.14858474402028649,0.30309780001370706,0.1935268316085258,0.2704920841614694
EOS-3-36612,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(-n6nccn6)n5)n34)c2)cn1,NZGUALZZCNXUAQ-UHFFFAOYSA-N,3,1,0.453,2,36,469.444,2.281,6,0.361,0.66,1.0,0.20409841683229388,0.2581471455006511,0.1953430196696594,0.16878555273798918,0.20659353368514838
EOS-3-36613,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ncn2)n1,MPEYAYWHQUIGLX-UHFFFAOYSA-N,3,1,0.394,18,842,447.409,2.641,5,0.387,0.55,0.897,0.7009115208004935,0.4814183400726475,0.3287557398396272,0.31209307107120826,0.4557946679459941
EOS-3-36614,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ncn2)cn1,VEBIZFAPHNHHKZ-UHFFFAOYSA-N,3,1,0.426,18,194,427.428,2.063,5,0.381,0.59,0.999,0.5069477760263176,0.23792920293331507,0.16281440614077172,0.09631793571379618,0.2510023302035501
EOS-3-36615,Cc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccc(F)cc4)n23)cn1,NWILZPPOIJSDHQ-UHFFFAOYSA-N,3,1,0.488,4,205,413.416,3.67,5,0.434,0.76,1.0,0.7376293605647317,0.7761976560893702,0.5024844081968337,0.48560756630799806,0.6254797477897335
EOS-3-36616,Cc1ncc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)s1,KHVSJCPHKAMSHG-UHFFFAOYSA-N,3,1,0.276,76,601,453.495,2.871,6,0.396,0.54,0.96,0.01556610239188541,0.06412343225275854,0.019489753957919267,0.022299705297786306,0.03036974847508738
EOS-3-36617,Cc1nccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c(F)c2)n1,QSWWVGXIEXUNNH-UHFFFAOYSA-N,3,1,0.455,13,145,450.836,5.281,5,0.37,0.8,1.0,0.8465492426838462,0.9100815571242546,0.9198050167911727,0.920361866904256,0.8991994208758824
EOS-3-36618,Cc1nnc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5cncc(F)c5)c4)n23)s1,VZLVWEOSHBIKQH-UHFFFAOYSA-N,3,1,0.274,86,151,456.47,3.4,6,0.397,0.58,1.0,0.001567747241450209,0.1271245973545336,0.135057569734768,0.19070831334384208,0.11361455691864847
EOS-3-36621,CC#Cc1ncc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)cn1,YHFVWSULOMEFHU-UHFFFAOYSA-N,3,1,0.372,7,720,421.424,2.384,5,0.394,0.6,1.0,0.4530789527791104,0.26877869919813585,0.2342454252621479,0.15284250565417037,0.27723639572339115
EOS-3-36622,CCn1cncc1-c1cncc(-c2nnc3cncc(NCCc4c(F)cccc4Cl)n23)c1,ZAGIYRMFNPKCNX-UHFFFAOYSA-N,3,1,0.396,26,328,462.92,4.517,5,0.383,0.73,0.009,0.026651703104653552,0.02647179768350353,0.5991364539784799,0.5983739976697965,0.31265848810910835
EOS-3-36624,FC(F)c1ccc(-c2nnc3cncc(OCc4ncn(-c5cnccn5)n4)n23)cn1,AXWVAHMJRZQXNO-UHFFFAOYSA-N,3,1,0.438,7,185,422.359,2.074,5,0.405,0.61,1.0,0.20410698375711056,0.3045284764580906,0.2737646494414365,0.2283342471386471,0.2526835891988212
EOS-3-36625,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cnc(Cl)c4F)n23)ccn1,YSAALGUVEAOBEV-UHFFFAOYSA-N,3,1,0.451,73,624,454.828,3.492,5,0.375,0.63,1.0,0.652388458638887,0.5841186347748613,0.7429494208758823,0.719570283051196,0.6747566993352067
EOS-3-36626,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)c(F)c1,VYGFOGPZQXLLMK-UHFFFAOYSA-N,3,1,0.387,13,971,421.342,3.853,5,0.407,0.67,1.0,0.6648961688712219,0.7370553766020149,0.8705880337194161,0.8712562538551162,0.7859489582619423
EOS-3-36627,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)nc2)n1,LNOZYWKWYGMBBJ-UHFFFAOYSA-N,3,1,0.517,40,25,463.505,3.566,6,0.372,0.61,1.0,0.35993077924748135,0.24336063326708246,0.3624494551435817,0.25472037557398397,0.3051153108080324
EOS-3-36628,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2C)nn1,KKRJANMIGQMFHU-UHFFFAOYSA-N,3,1,0.534,16,214,443.898,4.493,5,0.395,0.63,1.0,0.6523970255637036,0.6457490919059694,0.6317850044548009,0.595444109382496,0.6313438078267425
EOS-3-36629,Fc1cccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)c1,VGXAKIJRPRARTN-UHFFFAOYSA-N,3,1,0.337,32,572,465.427,4.046,6,0.359,0.65,0.992,0.3012901788773902,0.4011890891645535,0.647154067575903,0.7195788499760126,0.5173030463984648
EOS-3-36630,COc1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc(-c2ccc(F)nc2)n1,RBOPTASXAFETCC-UHFFFAOYSA-N,3,1,0.462,13,284,448.845,4.842,5,0.355,0.75,1.0,0.7256785004454801,0.793168734151189,0.8263398670413269,0.7992683846206565,0.7861138715646632
EOS-3-36631,FC(F)Oc1ccc(-c2nnc3cncc(-c4nc(-c5cncs5)no4)n23)cc1,UIMSXRALRHYCPG-UHFFFAOYSA-N,3,1,0.507,50,121,413.369,3.566,5,0.431,0.84,1.0,0.6860907408676582,0.6557552600918375,0.5024929751216504,0.5244928380508532,0.5922079535329998
EOS-3-36632,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)ncn4)n23)c1F,SIBSRIFXYKVEAK-UHFFFAOYSA-N,3,1,0.479,44,130,445.433,3.851,5,0.392,0.61,0.975,0.7225687067370297,0.617392570762799,0.6555325200466041,0.640009252278802,0.6588757624563086
EOS-3-36633,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(-c6nn[nH]n6)nc5)c4)n23)n(C)n1,KIZIAVFQYKITRO-UHFFFAOYSA-N,3,1,0.402,6,662,466.469,2.049,6,0.386,0.6,1.0,0.27181995750805293,0.20295901583167705,0.07560311150709341,0.04938832156808992,0.14994260160372833
EOS-3-36634,FC(F)c1cnc(COc2cncc3nnc(-c4cncc(-c5ccnc(Cl)c5)c4)n23)cn1,YLKQSQHTSROVIO-UHFFFAOYSA-N,3,1,0.444,2,419,466.839,4.208,5,0.343,0.72,1.0,0.5532434377355905,0.704638133095744,0.8208913028579261,0.7832396682886711,0.7155031354944829
EOS-3-36635,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccn4)n23)nn1,HBTKARDFCVUKMB-UHFFFAOYSA-N,3,1,0.42,4,122,483.467,2.649,6,0.347,0.8,0.983,0.359939346172298,0.1892947707490919,0.10432801041738057,0.1502552943595367,0.2009543554245768
EOS-3-36636,Fc1cccnc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c1,NCPJKVDZPSCTRE-UHFFFAOYSA-N,3,1,0.538,11,275,446.873,4.662,5,0.377,0.67,1.0,0.8940956754163526,0.8810311150709341,0.7547460763484339,0.8035775478034405,0.8333626036597903
EOS-3-36637,Cn1nc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cc1C(N)=O,VYASOKAHSYWPMT-UHFFFAOYSA-N,3,1,0.386,31,466,443.431,0.492,5,0.374,0.57,0.999,0.18452299362620794,0.014992118429168666,0.013510040435885134,0.006502295935850867,0.05488186210677815
EOS-3-36638,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)c1,MZRRUZXWKDTVTD-UHFFFAOYSA-N,3,1,0.516,84,184,451.412,3.626,5,0.367,0.64,1.0,0.7163148516208622,0.6508035775478035,0.807509766294291,0.7762062230141868,0.7377086046192859
EOS-3-36639,Cc1ccc(-c2nc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ccc2F)cn1,PYCRDNWNIHKJLZ-UHFFFAOYSA-N,3,1,0.421,46,564,465.851,4.462,5,0.378,0.67,1.0,0.8577033787951477,0.7632273319169351,0.8246007813035433,0.8205229250908094,0.8165136042766089
EOS-3-36640,Cc1cc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnn5)n4)n23)ccn1,TZJYGFPCVFWBSF-UHFFFAOYSA-N,3,1,0.347,85,60,415.848,2.986,5,0.44,0.64,1.0,0.2879172092385717,0.23284044959221437,0.24133027208553218,0.29949112466588995,0.26539476389555205
EOS-3-36641,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)c4)n23)cc1F,GEGMIDNOFUYOKU-UHFFFAOYSA-N,3,1,0.506,16,353,451.412,4.243,5,0.384,0.64,1.0,0.8688917826057159,0.8355064765951614,0.887096497841135,0.809934206017408,0.850357240764855
EOS-3-36642,CCc1nc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1ncc(F)n1C,YMGKIDBVSOYZTF-UHFFFAOYSA-N,3,1,0.354,31,662,447.478,2.909,5,0.394,0.6,0.695,0.34380782674251253,0.3387533411006785,0.059068946610924544,0.035604139538071414,0.19430856349804676
EOS-3-36643,Cn1cnnc1-c1cncc(COc2cncc3nnc(-c4cc(F)cc(-c5cccnn5)c4)n23)c1,UBHCQEGQULYSOU-UHFFFAOYSA-N,3,1,0.429,71,247,480.467,3.157,6,0.354,0.73,1.0,0.5532520046604071,0.41972791446782265,0.41360256322390515,0.394806730176136,0.4453473031320677
EOS-3-36644,Fc1cc(-c2nnc3cncc(OCCc4c(F)cncc4Cl)n23)ccc1-c1ncccn1,PKHMEYJRGAMENS-UHFFFAOYSA-N,3,1,0.6,35,559,465.851,4.196,5,0.371,0.63,1.0,0.9693389760811459,0.965081214447262,0.7886625316976218,0.8166506750736755,0.8849333493249263
EOS-3-36645,OCc1cnc(-c2cncc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)c2)cn1,GPRPPULYNXBEOB-UHFFFAOYSA-N,3,1,0.402,2,995,467.823,3.86,5,0.415,0.61,1.0,0.7195617161263793,0.75038551161675,0.8516294291001302,0.8385563018298952,0.7900332396682888
EOS-3-36646,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccs4)n23)cc1Cl,RXHPLGUNOCKXSI-UHFFFAOYSA-N,3,1,0.63,36,610,437.916,4.364,5,0.392,0.68,1.0,0.36918305804948254,0.5841272016996779,0.2626447810294017,0.33081180179562747,0.3866917106435474
EOS-3-36647,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)cc(C)n1,OWNOIHDBJCCEMP-UHFFFAOYSA-N,3,1,0.517,75,496,457.925,4.535,5,0.369,0.67,1.0,0.8276077719141937,0.7370639435268316,0.567130422863409,0.5147693783839353,0.6616428791720923
EOS-3-36648,Fc1ccccc1-c1nnc2cncc(OCc3nc(-c4nccs4)ncc3Cl)n12,OQJAXJOJGRVTIR-UHFFFAOYSA-N,3,1,0.512,73,877,439.863,4.076,5,0.407,0.65,1.0,0.7009200877253101,0.8614899595641149,0.3066016722637242,0.442130422863409,0.5777855356041396
EOS-3-36649,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cc(Cl)ncn5)c4)n23)cn1,NKKXJQIFWYGEHG-UHFFFAOYSA-N,3,1,0.412,55,283,474.872,2.025,5,0.362,0.66,0.999,0.5506733602905901,0.47274004523336305,0.15029812898362005,0.11133575491741485,0.321261822356247
EOS-3-36650,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)s5)n34)cn2)nc1,UINFFRCXVWQEPY-UHFFFAOYSA-N,3,1,0.333,76,368,452.478,4.573,6,0.387,0.69,1.0,0.22318552532382976,0.4057381262422041,0.509672058118018,0.5378229730655884,0.4191046706874101
EOS-3-36652,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccs4)n23)c(Cl)c1F,NQIDGNXXRIIQIC-UHFFFAOYSA-N,3,1,0.617,37,353,454.918,4.667,5,0.373,0.7,1.0,0.8554674114179974,0.8553389075457474,0.6317935713796176,0.6515403330820368,0.7485350558563498
EOS-3-36653,CCn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,NMWSOAURVZCFOD-UHFFFAOYSA-N,3,1,0.333,8,42,470.884,3.835,6,0.345,0.7,1.0,0.2611284353368515,0.2788962374066205,0.10673531629086423,0.19596840518127612,0.21068209855390307
EOS-3-36654,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)cc4F)n23)n1,VTVJFACWQUYRAL-UHFFFAOYSA-N,3,1,0.529,4,677,415.432,3.613,5,0.436,0.72,1.0,0.6375762456308683,0.5937992598176959,0.5131759303680351,0.42007059146048936,0.5411555068192722
EOS-3-36655,Cc1nnc(-c2ccnc(-c3nnc4cncc(OCc5cnc(C)c(Cl)n5)n34)c2)s1,UXQHDRQZCDBPHJ-UHFFFAOYSA-N,3,1,0.394,7,587,451.903,3.344,5,0.396,0.61,1.0,0.34630080186416284,0.3821619491467343,0.05348331163045713,0.06048248920567473,0.21060713796175728
EOS-3-36656,CCOc1cnc(COc2cncc3nnc(-c4ccc(-c5nc(C)no5)nc4F)n23)nc1,VGHXMCCCDPVFHB-UHFFFAOYSA-N,3,1,0.411,51,48,449.406,2.452,5,0.338,0.67,1.0,0.5223425399218696,0.5503992186964567,0.06305256665067507,0.03655506819272154,0.29308734836543077
EOS-3-36657,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)c(F)cn5)n34)c2)nn1,WMPAOSSWHZMZQG-UHFFFAOYSA-N,3,1,0.474,87,838,462.876,3.761,5,0.375,0.62,1.0,0.6860993077924749,0.7323778356521143,0.547169488040573,0.5477948735521897,0.628360376259338
EOS-3-36658,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)cn1,VFDVVOWASHCMCS-UHFFFAOYSA-N,3,1,0.47,55,434,421.873,3.937,5,0.397,0.69,1.0,0.719570283051196,0.7185422520731958,0.4747704064149133,0.4734853676924131,0.5965920773079295
EOS-3-36659,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)c(Cl)c1,IUNTZMKCVRSWQV-UHFFFAOYSA-N,3,1,0.294,39,144,469.871,4.289,6,0.379,0.66,0.711,0.04817181824412309,0.19841854567884312,0.4136111301487218,0.5954526763073127,0.3139135425947502
EOS-3-36660,Cc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ncccc1F,WHSSVCXVMDGCLE-UHFFFAOYSA-N,3,1,0.457,44,122,447.861,4.323,5,0.37,0.67,1.0,0.6317678706051676,0.6701990953327394,0.5539373586457406,0.5863032006031115,0.6105518812966897
EOS-3-36661,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)s4)n23)cc1)N1CCCC1,XPXPYAKFFPDKSD-UHFFFAOYSA-N,3,1,0.344,52,376,457.584,5.484,6,0.358,0.9,1.0,0.05138441505037352,0.008130011651017751,0.01297889109725173,0.08671441299431157,0.039801932698238646
EOS-3-36662,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)c1,AAHJOTKTSWKLCN-UHFFFAOYSA-N,3,1,0.74,57,732,445.885,5.267,5,0.356,0.8,1.0,0.9359451031457748,0.9435011308340758,0.89996401891577,0.9255619902679734,0.9262430607908986
EOS-3-36663,Clc1cnc(COc2cncc3nnc(-c4cccnc4-c4ccccc4)n23)nc1,DBLCCVFWJOIXAC-UHFFFAOYSA-N,3,1,0.476,97,700,415.844,3.876,5,0.43,0.73,0.999,0.5895329312589953,0.6310910835446508,0.35497909670344735,0.44213898978822563,0.5044355253238298
EOS-3-36665,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)n(C)n1,KPNGKRCIMMIZTK-UHFFFAOYSA-N,3,1,0.364,67,622,462.477,3.54,6,0.378,0.64,1.0,0.35527893907203073,0.23284901651703105,0.21293948324309506,0.1714927009800562,0.24314003495305325
EOS-3-36666,COc1cc(-c2ccc(Cl)cc2-c2nnc3cncc(-c4cn(CCl)nn4)n23)ccn1,JKAKCHLSSGNXOT-UHFFFAOYSA-N,3,1,0.315,22,844,453.293,3.97,5,0.372,0.69,0.983,0.15415324515112055,0.3960146665752861,0.4680625042834624,0.537831539990405,0.38901548900006855
EOS-3-36667,Cn1nc(-c2cscn2)nc1CCc1cncc2nnc(-c3ccc(CO)cc3)n12,KVXQVDFUGVXLGX-UHFFFAOYSA-N,3,1,0.412,85,886,418.486,2.321,5,0.451,0.65,0.998,0.12655918031663355,0.1337553971626345,0.02223973682406963,0.034541840860804605,0.07927403879103556
EOS-3-36668,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(F)nn4)n23)c1,GVLCHBKIDXSKJS-UHFFFAOYSA-N,3,1,0.535,4,208,420.383,2.839,5,0.431,0.59,1.0,0.4508001507778768,0.4197364813926393,0.5991450209032966,0.5609622369954081,0.5076609725173052
EOS-3-36669,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1Cl,WRADPIXECRZJFN-UHFFFAOYSA-N,3,1,0.565,35,884,446.873,4.662,5,0.377,0.69,1.0,0.8712733877047495,0.8966486190117195,0.8811681858680008,0.8921167157837023,0.885301727092043
EOS-3-36670,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cnn2)s1,GPSOAWLNMWKHNV-UHFFFAOYSA-N,3,1,0.548,13,573,439.863,4.598,5,0.404,0.7,1.0,0.6801795627441574,0.6799910903981906,0.6318021383044342,0.6863391816873415,0.6695779932835308
EOS-3-36671,COc1cc(-c2ccns2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,SKLZXXIXHLFYEW-UHFFFAOYSA-N,3,1,0.62,35,393,430.493,3.94,5,0.386,0.67,1.0,0.41365396477280514,0.26356144198478515,0.47142930573641284,0.35314577479268044,0.3754476218216709
EOS-3-36672,CCn1nc(CCc2ccc(Cl)nc2)nc1-c1cncc2nnc(-c3ccc(C(=O)O)cc3)n12,BGXZIKSQYXGUAC-UHFFFAOYSA-N,3,1,0.383,74,333,474.912,3.602,5,0.355,0.71,0.35,0.10019018573093003,0.11362312384346515,0.05715852237680762,0.07622849701871016,0.08680008224247823
EOS-3-36673,Fc1ccc(-c2nnco2)cc1-c1nnc2cncc(OCc3cnc(-c4cncnn4)cn3)n12,PLYWSTJHMNSJKG-UHFFFAOYSA-N,3,1,0.408,71,843,469.4,2.201,6,0.351,0.66,1.0,0.5835789185114112,0.5688181070522925,0.2269549722431636,0.2222945651428963,0.4004116407374409
EOS-3-36674,C#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cc(C)nn5C)nc4)n23)cn1,LBWNBCRKEUCDQU-UHFFFAOYSA-N,3,1,0.447,92,283,440.442,2.99,5,0.388,0.61,1.0,0.5532605715852238,0.5000685353985334,0.49210986224384895,0.3822904530189843,0.4819323555616476
EOS-3-36675,Cn1nc(-c2ccc(C(F)F)cc2)nc1-c1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12,RDLZVJUGCVGWPD-UHFFFAOYSA-N,3,1,0.455,27,51,472.381,4.605,5,0.355,0.79,0.998,0.22319409224864642,0.45068021383044343,0.9510143238982934,0.904941402234254,0.6324575080529093
EOS-3-36676,Cn1ccnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nccn5C)nc4F)n23)cnn1,LSSAJMPDMADUPB-UHFFFAOYSA-N,3,1,0.376,80,816,469.444,2.709,6,0.35,0.68,0.736,0.43206428620382425,0.50007710232335,0.1320505791241176,0.11134432184223152,0.2938840723733808
EOS-3-36677,CCn1ncnc1-c1cncc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,DFTIXRWVJLYMAO-UHFFFAOYSA-N,3,1,0.435,2,36,451.853,3.231,5,0.362,0.63,0.971,0.41366253169762185,0.38665101775066824,0.32511479679254335,0.35960523610444795,0.37125839558632034
EOS-3-36678,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,FKBLWTPXWZOYND-UHFFFAOYSA-N,3,1,0.56,4,506,417.86,3.819,5,0.432,0.66,1.0,0.5223511068466863,0.4955366321705161,0.6258909601809335,0.6166301144541155,0.5651022034130628
EOS-3-36679,Cc1cnc(-c2cnc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nc1,MCEWSRBTHSXKKP-UHFFFAOYSA-N,3,1,0.466,65,904,429.419,2.502,5,0.401,0.55,1.0,0.7041583853060106,0.6174011376876156,0.18212425467754095,0.17407991227468989,0.4194409224864643
EOS-3-36680,Cc1ccc(-c2nnc3cncc(OCc4c(F)cncc4-c4nnnn4C)n23)cn1,BIOOSQZPVAHWDE-UHFFFAOYSA-N,3,1,0.472,92,728,418.396,1.798,5,0.42,0.65,1.0,0.49426016037283255,0.49554519909533273,0.11214104585018161,0.1230296072921664,0.30624400315262834
EOS-3-36681,Cc1cncc(-c2ccc(CCc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nn2)n1,UUMCBUZBTNNFAN-UHFFFAOYSA-N,3,1,0.376,85,487,446.877,3.924,5,0.403,0.57,1.0,0.3942670139126859,0.6174097046124323,0.3738520320745665,0.494688506613666,0.4700543143033376
EOS-3-36682,Brc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)n1,MIRKQPAJUDLQCJ-UHFFFAOYSA-N,3,1,0.547,15,300,474.322,4.027,5,0.343,0.73,1.0,0.7643838667671853,0.7370725104516482,0.3585943389760812,0.3467634158042629,0.5517035329997944
EOS-3-36683,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)[nH]n2)s1,RBGGRTNBHNOBAX-UHFFFAOYSA-N,3,1,0.447,31,963,423.437,2.497,5,0.442,0.6,0.96,0.40271400178192035,0.3336731546843945,0.08722842848331162,0.10255465698033034,0.23154256048248922
EOS-3-36684,COc1ncc(-c2ccnc(Cl)c2)cc1COc1cncc2nnc(-c3cccs3)n12,DVLOFFTUGTYAPY-UHFFFAOYSA-N,3,1,0.435,46,160,450.911,4.551,5,0.35,0.76,1.0,0.47457336714412995,0.3485453361661298,0.5369491467342883,0.4734939346172298,0.45839044616544444
EOS-3-36685,Cc1nc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1ccncc1,DFWFGTYRKBVFIQ-UHFFFAOYSA-N,3,1,0.365,46,379,448.849,3.718,5,0.375,0.63,1.0,0.612260982797615,0.617418271537249,0.43223562470015764,0.45170824480844357,0.5284057809608663
EOS-3-36686,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nn2)no1,XEWJZPPKMLQWLS-UHFFFAOYSA-N,3,1,0.374,80,816,468.441,1.709,6,0.348,0.68,1.0,0.36919162497429925,0.24336920019189912,0.010254609005551368,0.005405729559317387,0.1570552909327668
EOS-3-36687,Cc1c(F)ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)c1F,SVUPNNVSPBHBSR-UHFFFAOYSA-N,3,1,0.529,35,393,445.433,3.851,5,0.392,0.6,1.0,0.8144061407717086,0.732386402576931,0.782417243506271,0.7382204783770817,0.7668575663079981
EOS-3-36688,Cc1ccc(-c2nnc3cncc(OCCc4cc(-c5ccc(F)cn5)ncc4F)n23)cn1,YAQIRBBBSKIWLV-UHFFFAOYSA-N,3,1,0.591,84,56,445.433,3.851,5,0.392,0.6,1.0,0.8957919265300528,0.9179202933315057,0.6749623055308067,0.6280498252347337,0.7791810876567747
EOS-3-36689,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)[nH]n2)s1,HCUVUSWOQFOIGL-UHFFFAOYSA-N,3,1,0.581,19,963,422.449,3.102,5,0.448,0.61,0.889,0.4341546158590912,0.437692755808375,0.1503066959084367,0.19071688026865877,0.3032177369611404
EOS-3-36690,Clc1ccnc(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)c1,ZUBATORZNQSJQU-UHFFFAOYSA-N,3,1,0.605,97,666,420.885,4.542,5,0.415,0.71,1.0,0.45544342402851073,0.5890703173188953,0.6347834281406346,0.6744825577410732,0.5884449318072784
EOS-3-36691,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)c(F)cn1,WNTXPKQBTHYXDU-UHFFFAOYSA-N,3,1,0.398,46,915,418.367,2.896,5,0.402,0.66,1.0,0.7526129120690837,0.6174268384620657,0.6412171886779522,0.6105989993831814,0.6554639846480708
EOS-3-36692,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)sn1,RHCXNDBHCFZDPW-UHFFFAOYSA-N,3,1,0.454,92,66,475.498,1.304,6,0.365,0.71,1.0,0.18741861421424166,0.13376396408745117,0.002681447467617024,0.0018590226852169146,0.08143076211363169
EOS-3-36693,Cc1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccc(F)nc5)c4C)n23)cn1,ZQLAYQWATJEVMU-UHFFFAOYSA-N,3,1,0.383,14,358,428.446,4.734,5,0.387,0.72,1.0,0.3692001918991159,0.4464738537454595,0.8705966006442327,0.8364402714001782,0.6306777294222465
EOS-3-36694,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5ccsc5)n4)n23)cn1,SHAKVDJPJSAJDE-UHFFFAOYSA-N,3,1,0.371,80,34,467.518,3.684,6,0.365,0.67,1.0,0.45080871770269343,0.33876190802549516,0.1470855321773696,0.12303817421698307,0.26492358303063535
EOS-3-36695,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ncc5F)cn4)n23)cc1,XEKJVVREYSMVCR-UHFFFAOYSA-N,3,1,0.535,1,744,430.418,4.414,5,0.384,0.7,1.0,0.8323281474881776,0.82484065519841,0.8784953053252005,0.8385648687547118,0.843557244191625
EOS-3-36696,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ccn2)nc1,PLDMVQXEDOCQSQ-UHFFFAOYSA-N,3,1,0.5,13,110,420.354,4.458,5,0.427,0.69,1.0,0.8250034267699267,0.8425227880200123,0.9198135837159893,0.9203704338290727,0.8769275580837502
EOS-3-36697,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1Cl,RFNOZFCKVRDXTA-UHFFFAOYSA-N,3,1,0.535,79,198,445.885,5.267,5,0.356,0.82,1.0,0.862466588993215,0.9121461860050716,0.8882358988417518,0.9138338701939552,0.8941706360084984
EOS-3-36698,Fc1ncccc1COc1cncc2nnc(-c3cc(-c4cscn4)cnc3Cl)n12,SDNRWCVUNASAHX-UHFFFAOYSA-N,3,1,0.443,55,422,439.863,4.076,5,0.381,0.68,1.0,0.7132735933109451,0.737081077376465,0.6232694811870331,0.6458775957782195,0.6798754369131657
EOS-3-36699,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4nccs4)cn3)n12,ABRLFOQDKCLNTF-UHFFFAOYSA-N,3,1,0.418,46,959,439.863,4.076,5,0.381,0.68,1.0,0.7225772736618463,0.69968645055171,0.5958467548488795,0.6166386813789322,0.658687290110342
EOS-3-36700,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cccc(-c4ccsc4)n3)n12,OBMDXCJZANDKST-UHFFFAOYSA-N,3,1,0.449,46,267,438.875,4.681,5,0.396,0.69,0.999,0.5428260571585224,0.559882804468508,0.6347919950654513,0.7003546706874101,0.6094638818449729
EOS-3-36701,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)nc1,KNOWRWMZTNILMX-UHFFFAOYSA-N,3,1,0.573,19,308,461.888,4.366,5,0.371,0.66,1.0,0.7898619011719553,0.6847628675210746,0.730039065177164,0.7408333904461655,0.7363743060790899
EOS-3-36702,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(C#Cc6ccccc6)nc5)n34)cc2)nc1,IUYGTPIRCJCNOH-UHFFFAOYSA-N,3,1,0.371,69,553,469.483,4.849,6,0.345,0.79,1.0,0.30400589404427386,0.45958981563977797,0.8263484339661435,0.8144918100198753,0.6011089884175176
EOS-3-36703,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)nc4)n23)nc1,VAVBSURXGNVTJV-UHFFFAOYSA-N,3,1,0.253,70,813,421.428,2.434,6,0.46,0.55,1.0,0.021211705846069497,0.04517339455828936,0.2058803371941608,0.19072544719347542,0.11574772119799875
EOS-3-36704,Fc1cnc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)nc1Cl,HCRDDKTVEIAXCB-UHFFFAOYSA-N,3,1,0.432,2,422,448.849,3.452,5,0.364,0.63,1.0,0.7614111438558016,0.754951682544034,0.3697827427866493,0.4388235898841752,0.581242289767665
EOS-3-36706,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)cc4Cl)n23)nc1,SKQMKVAECPLOJX-UHFFFAOYSA-N,3,1,0.413,46,267,451.824,4.154,5,0.371,0.63,1.0,0.7956531423480228,0.7632358988417518,0.8516379960249468,0.8696970735384826,0.8200560276883009
EOS-3-36707,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3cnc(Cl)c(F)c3)n12,ZRPBPTVRGIICGD-UHFFFAOYSA-N,3,1,0.488,97,89,450.836,4.759,5,0.359,0.75,1.0,0.9369645671989583,0.9216640394763895,0.937718456582825,0.9411452265094922,0.9343730724419163
EOS-3-36708,Cn1c(-c2cncn(C)c2=O)cnc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,AHLJZXUWGDURFK-UHFFFAOYSA-N,3,1,0.408,92,185,465.424,2.197,5,0.375,0.62,1.0,0.43416318278390786,0.34855390309094647,0.29591871701733946,0.23401411829209787,0.3281624802960729
EOS-3-36709,COc1ccc(-c2nncc(-c3cncc4nnc(-c5cnc(-c6ccncc6)c(F)c5)n34)n2)cn1,UWLADZOGBJPQEK-UHFFFAOYSA-N,3,1,0.301,86,723,478.451,3.31,6,0.364,0.7,1.0,0.42291481049962304,0.5089524364334178,0.3433280789527791,0.315297100952642,0.3976231067096155
EOS-3-36710,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nc(F)c(F)cc5Cl)nc4)n23)c(F)n1,DGWAWKRGDDJUOI-UHFFFAOYSA-N,3,1,0.326,45,575,453.815,4.689,5,0.369,0.71,0.983,0.3761736686998835,0.5890788842437119,0.8706051675690494,0.8854173805770681,0.6803187752724282
EOS-3-36711,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)cc1F,BGZBFJKWIDJMIO-UHFFFAOYSA-N,3,1,0.398,44,194,462.876,3.761,5,0.351,0.67,0.986,0.7041669522308273,0.6407031731889521,0.47143787266122955,0.4793023096429306,0.5739025769309849
EOS-3-36712,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c(Cl)cn2)nc1,UDFWYAWMBSEXLO-UHFFFAOYSA-N,3,1,0.416,46,915,475.299,4.401,5,0.368,0.75,1.0,0.7757693098485368,0.8286186690425604,0.79967103008704,0.8442104722088959,0.8120673702967582
EOS-3-36713,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nn2)nc1,MMAGJRNXHNABSX-UHFFFAOYSA-N,3,1,0.402,54,564,453.8,2.944,5,0.396,0.53,0.998,0.7376379274895484,0.660458501816188,0.4888458638886985,0.5641319991775752,0.6127685730930026
EOS-3-36714,Fc1cnnc(-c2ncnn2Cc2cncc3nnc(-c4ccc(-c5ccccc5)c(F)c4)n23)c1,WABPMHHSOKEYII-UHFFFAOYSA-N,3,1,0.33,3,774,467.443,3.833,6,0.38,0.61,1.0,0.28516722637242137,0.3582944966074978,0.4358594338976081,0.6012953190322802,0.4201541189774518
EOS-3-36715,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)cnn1,QUTVXKJDGXSKAZ-UHFFFAOYSA-N,3,1,0.409,36,105,423.828,1.343,5,0.411,0.61,1.0,0.24509115208004933,0.40119765608937014,0.030746693167020767,0.04017031046535536,0.1793014529504489
EOS-3-36716,COc1cc(-c2ccnn2C)ccc1-c1nnc2cncc(OCc3c(F)cncc3Cl)n12,RCGIBMOJRPRUEW-UHFFFAOYSA-N,3,1,0.466,16,980,465.876,3.967,5,0.374,0.68,1.0,0.6122695497224316,0.5315776848742375,0.7547546432732506,0.6687255842642725,0.6418318655335481
EOS-3-36717,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC6CCCC6(C)C5)nn4)n23)nn1,IMUXEBQRUCGLIH-UHFFFAOYSA-N,3,1,0.28,78,546,441.499,2.609,6,0.476,0.54,0.865,0.04668974025083956,0.0264803646083202,0.0002827085189500377,0.004566170927283942,0.019504746076348434
EOS-3-36718,Cn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5Cl)n34)cn2)n1,ZUWRQRMMWVXAJI-UHFFFAOYSA-N,3,1,0.484,92,212,462.861,1.708,5,0.397,0.58,1.0,0.4341717497087246,0.3866595846754849,0.13205914604893426,0.10893701596874786,0.2654568741004729
EOS-3-36719,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)nc(C)c5F)n34)ccn2)ncn1,OFWUAPFTQFCJIV-UHFFFAOYSA-N,3,1,0.436,24,486,462.876,4.027,5,0.361,0.69,1.0,0.7582328147488178,0.6652388458638887,0.5894558289356453,0.5180162428894524,0.632735933109451
EOS-3-36720,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5cnc(C)nc5)c4)n23)c1,QKMHDXKPANTDNM-UHFFFAOYSA-N,3,1,0.489,75,454,458.913,3.93,5,0.352,0.68,0.999,0.737646494414365,0.6996950174765266,0.40692892879172093,0.3562555685011308,0.5501315022959359
EOS-3-36721,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c(Cl)c1,NKSUQBHCPRSZSI-UHFFFAOYSA-N,3,1,0.547,37,265,467.867,4.14,5,0.373,0.66,1.0,0.8990644918100199,0.855347474470564,0.8075183332191077,0.8123672126653416,0.8435743780412583
EOS-3-36722,Clc1cncc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)c1,YJNIUSIFWNEZGO-UHFFFAOYSA-N,3,1,0.582,79,881,429.867,5.211,5,0.369,0.81,1.0,0.9472020423548763,0.8286272359673772,0.8464807072853129,0.847817147556713,0.86753178329107
EOS-3-36723,COc1ncccc1-c1cccc(-c2nnc3cncc(Oc4cncnc4F)n23)c1,VZYWACCHEFTWCT-UHFFFAOYSA-N,3,1,0.443,13,374,415.388,3.583,5,0.402,0.72,1.0,0.7437375779590158,0.6457576588307861,0.5863374683023782,0.45480090466726064,0.6076584024398602
EOS-3-36724,N#Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c(F)n2)nn1,KUVYOHNZWUUAMQ-UHFFFAOYSA-N,3,1,0.43,58,565,444.365,2.162,5,0.37,0.6,1.0,0.7757778767733534,0.8013672812007402,0.4283890754574738,0.420079158385306,0.6064033479542184
EOS-3-36725,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cc2)cn1,HRXZAJWTUCCDFK-UHFFFAOYSA-N,3,1,0.318,32,327,434.488,4.434,6,0.405,0.64,1.0,0.09788568295524638,0.16411657871290522,0.46807107120827907,0.4735025015420465,0.30089395860461926
EOS-3-36726,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1F,LZOOARVIMXKMOD-UHFFFAOYSA-N,3,1,0.533,35,161,447.449,3.969,5,0.376,0.62,1.0,0.8013501473511069,0.670207662257556,0.6471626345007196,0.6013038859570968,0.6800060825166199
EOS-3-36727,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nnsc5Cl)n34)cc2)s1,RBLWXQCRYISPBD-UHFFFAOYSA-N,3,1,0.512,4,22,441.929,4.307,5,0.401,0.71,1.0,0.4412822973065588,0.6218902062915496,0.15339935576725378,0.20772222602974436,0.3560735213487766
EOS-3-36728,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)c1,QBVTWRVSLVVNNC-UHFFFAOYSA-N,3,1,0.523,59,89,440.41,4.306,5,0.379,0.73,1.0,0.9326725378658077,0.8889812213008018,0.8546021520115139,0.8461894318415462,0.8806113357549175
EOS-3-36729,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cnn2)c1,PHBXLIJCDSFHPL-UHFFFAOYSA-N,3,1,0.489,65,778,432.394,2.938,5,0.377,0.59,1.0,0.7983345898156398,0.7185508189980124,0.6112500856692482,0.6106075663079981,0.6846857651977246
EOS-3-36730,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)nn1,DMMCSPHNIMDUCZ-UHFFFAOYSA-N,3,1,0.527,84,73,461.888,4.366,5,0.371,0.68,1.0,0.7614197107806182,0.8208913028579261,0.7377150298128984,0.7356418340072648,0.7639169693646769
EOS-3-36731,Fc1ccc(Cl)nc1COc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,BLZUWDHESPXQAI-UHFFFAOYSA-N,3,1,0.506,24,912,439.863,4.076,5,0.381,0.7,1.0,0.6524055924885204,0.6799996573230074,0.5570642862038243,0.5954612432321293,0.6212326948118704
EOS-3-36732,Fc1cnsc1COc1cncc2nnc(-c3cncnc3-c3nccc(F)c3F)n12,KLWRVQXGEVPOBK-UHFFFAOYSA-N,3,1,0.44,73,564,442.386,3.096,5,0.409,0.6,0.768,0.6149852648893154,0.6174354053868824,0.44335549311219247,0.514777945308752,0.5476385271742856
EOS-3-36733,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cn2)n1,DZJNIWISJZWVHV-UHFFFAOYSA-N,3,1,0.462,4,617,415.392,2.46,5,0.399,0.72,1.0,0.5119337262696183,0.5841357686244946,0.18853231444040847,0.1767356589678569,0.3653343670755945
EOS-3-36734,Fc1cccc(COc2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)c1,BQPDCRSDAAKKNS-UHFFFAOYSA-N,3,1,0.5,97,89,462.872,4.532,5,0.351,0.72,1.0,0.879232060859434,0.7931773010760057,0.8811767527928175,0.8728582687958331,0.8566110958810226
EOS-3-36735,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)cn2)nc1,QELQQLBFXZJSTR-UHFFFAOYSA-N,3,1,0.455,73,930,452.812,3.549,5,0.373,0.62,1.0,0.8887070797066685,0.8988074840655198,0.6882667397710918,0.7057946679459941,0.7953939928723185
EOS-3-36736,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)cc1,KSTNYPKACMEEEQ-UHFFFAOYSA-N,3,1,0.494,89,675,413.416,3.67,5,0.406,0.79,1.0,0.7526214789939003,0.7370896443012817,0.6441642108148858,0.5738126242204098,0.6769219895826194
EOS-3-36737,Cn1ccc(-c2cccc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)c2)n1,BKTWAIPMAMRVFC-UHFFFAOYSA-N,3,1,0.518,13,15,437.29,5.291,5,0.382,0.81,1.0,0.44828147488177644,0.6310996504694675,0.8719416078404496,0.8964087451168529,0.7119328695771366
EOS-3-36738,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5csnn5)n4)n23)ccc1Cl,MWOWWWOAVXPVFI-UHFFFAOYSA-N,3,1,0.494,4,712,453.89,4.385,5,0.39,0.7,0.996,0.511942293194435,0.6997035844013433,0.5863460352271949,0.6458861627030361,0.6109695188815023
EOS-3-36739,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)nc2)cs1,UTMBZGREFSLQJC-UHFFFAOYSA-N,3,1,0.427,46,980,453.89,4.385,5,0.39,0.7,1.0,0.6434445891302858,0.6218987732163662,0.5738040572955931,0.5802463847577274,0.6048484510999931
EOS-3-36740,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)[nH]2)cc1,CQBKLQITGJZEPA-UHFFFAOYSA-N,3,1,0.315,30,945,423.465,3.762,6,0.459,0.63,0.996,0.07695668562812692,0.13036289493523404,0.19535158659447605,0.26072578987046807,0.1658492392570763
EOS-3-36741,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cnnc(-c4nncs4)c3)n12,YYOVDIYAWPJMJV-UHFFFAOYSA-N,3,1,0.458,53,778,455.866,2.909,5,0.381,0.61,0.977,0.6317764375299842,0.7046467000205606,0.19881262422040985,0.302532382975807,0.45944203618669044
EOS-3-36742,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cc(F)cc(F)c5)n4)n23)nc1,FWVUADFBGKZDEV-UHFFFAOYSA-N,3,1,0.276,10,298,466.455,4.688,6,0.375,0.71,0.173,0.042389143992872316,0.1722123226646563,0.6991467342882599,0.7537009115208005,0.4168622781166472
EOS-3-36743,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)[nH]c1F,KFZVSOPFOAAKKW-UHFFFAOYSA-N,3,1,0.402,31,599,435.398,2.575,5,0.432,0.59,0.044,0.589541498183812,0.41974504831745596,0.25906380645603455,0.2637927489548352,0.38303577547803436
EOS-3-36744,OCc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nc1,INXQROLNPCOWLW-UHFFFAOYSA-N,3,1,0.441,87,173,459.897,3.411,5,0.368,0.67,1.0,0.5697262010828593,0.5890874511685286,0.5504506202453567,0.5279881433760537,0.5593131039681996
EOS-3-36745,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)c2)cn1,UPVJWLWIVKXFPO-UHFFFAOYSA-N,3,1,0.37,18,720,463.864,3.156,5,0.35,0.64,1.0,0.6204852306216161,0.6078575834418477,0.22326262764717977,0.24859502433006647,0.42505011651017754
EOS-3-36746,Cc1ccnc(-c2ncccc2-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)n1,MNZKFFFSBDVCQK-UHFFFAOYSA-N,3,1,0.457,65,265,462.876,3.761,5,0.375,0.61,0.987,0.8297837708176273,0.8055308066616408,0.40322801727092045,0.4359451031457748,0.6186219244739909
EOS-3-36747,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)ncc1F,NWCNOZNSZHKZFU-UHFFFAOYSA-N,3,1,0.557,35,921,461.888,4.366,5,0.347,0.7,1.0,0.9437667055033925,0.8836097594407512,0.6112586525940649,0.6043108765677473,0.760736498526489
EOS-3-36748,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(=O)n(C)s5)n34)c2)cn1,WMISXLVYMHYNIR-UHFFFAOYSA-N,3,1,0.413,7,720,432.469,2.291,5,0.416,0.58,1.0,0.18742718113905832,0.09763724213556302,0.0692721540675759,0.05056199026797341,0.10122464190254267
EOS-3-36749,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)nn6)n5)n34)cc2)cn1,XBQHNKXOWGUUAK-UHFFFAOYSA-N,3,1,0.3,98,63,467.884,3.248,6,0.384,0.6,0.992,0.012379206360084985,0.16412514563772188,0.16591563292440545,0.22230313206771296,0.14118077924748132
EOS-3-36750,C#Cc1ccc(-c2cccc(-c3nnc4cncc(OCc5nccc(C)n5)n34)c2)cn1,TXHDPYMVTNSXTL-UHFFFAOYSA-N,3,1,0.467,15,655,419.448,3.512,5,0.403,0.66,1.0,0.4554519909533274,0.4057466931670208,0.4714464395860462,0.3887927489548352,0.43035946816530735
EOS-3-36751,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)c2)cn1,MFMGKFCOLUAVDA-UHFFFAOYSA-N,3,1,0.512,97,962,450.836,4.759,5,0.359,0.73,1.0,0.8554759783428141,0.8727725995476664,0.9392091015009252,0.9385323144404085,0.9014974984579536
EOS-3-36752,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)ccn2)cn1,RGZJWIRLHSNXSW-UHFFFAOYSA-N,3,1,0.529,59,577,450.836,4.759,5,0.359,0.73,1.0,0.8974967445685696,0.9179288602563224,0.9404513055993421,0.9443749571653759,0.9250629668974024
EOS-3-36753,Fc1cccc(-c2cnc(-c3cncc4nnc(-c5cccc(Cl)c5F)n34)cn2)c1,GYSZCZJIYSKWQT-UHFFFAOYSA-N,3,1,0.397,45,837,420.81,4.847,5,0.417,0.74,1.0,0.3438163936673292,0.612569392091015,0.9271383044342403,0.9584418477143445,0.7104914844767323
EOS-3-36754,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5Cl)n34)cn2)n1,KZVLUZPSRHEQDT-UHFFFAOYSA-N,3,1,0.5,58,981,463.864,3.156,5,0.35,0.65,1.0,0.8013587142759235,0.891816873415119,0.2887053663217052,0.3242152696867932,0.5765240559248852
EOS-3-36755,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)n5)n34)cnn2)cn1,URAIHLMZSIJCAE-UHFFFAOYSA-N,3,1,0.411,20,279,434.37,1.728,5,0.389,0.54,0.873,0.6204937975464327,0.617443972311699,0.19199335206634227,0.21933897608114591,0.41231752450140496
EOS-3-36756,Cn1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)n1,DUQIJPKLCCOJMG-UHFFFAOYSA-N,3,1,0.424,18,181,416.42,2.742,5,0.42,0.67,1.0,0.3807655404016174,0.28932218490850525,0.2814063463779042,0.2695839901309026,0.30526951545473235
EOS-3-36757,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnn(C)n6)cnn5)n34)nc2)n1,HSTZBVLRLLUVGZ-UHFFFAOYSA-N,3,1,0.255,99,286,449.442,1.599,6,0.386,0.54,0.139,0.018170447536152424,0.024184428757453226,0.02971009526420396,0.02764546638338702,0.02492760948529916
EOS-3-36758,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(C)c5)n34)ncn2)cn1,MFWUYYAPVCCQGL-UHFFFAOYSA-N,3,1,0.422,31,296,425.456,2.672,5,0.405,0.59,0.965,0.4745819340689466,0.16801452950448906,0.1441642108148859,0.09045815913919539,0.21930470838187924
EOS-3-36759,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)nc1,CMUKUZIPRYHBBW-UHFFFAOYSA-N,3,1,0.463,18,157,464.316,4.572,5,0.34,0.73,1.0,0.6584624083339045,0.7185593859228291,0.6692053320540059,0.7461363169076828,0.6980908608046056
EOS-3-36760,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncnc(C)n1,NNULBUSHEKDINI-UHFFFAOYSA-N,3,1,0.34,51,924,460.889,2.932,5,0.372,0.59,0.544,0.542834624083339,0.5179648413405524,0.03597251730518813,0.034550407785621275,0.28283059762867524
EOS-3-36761,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc(C)n2)cn1,NPIHFFHRJZLFJV-UHFFFAOYSA-N,3,1,0.484,65,530,442.458,3.416,5,0.394,0.56,1.0,0.710309437324378,0.6174525392365157,0.3659447604687821,0.2933229387978891,0.4967574189568912
EOS-3-36762,FC(F)c1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cn1,YGQSNLGMXGCNHH-UHFFFAOYSA-N,3,1,0.451,27,207,466.839,4.208,5,0.366,0.66,0.999,0.4771520115139469,0.6174611061613323,0.8075269001439244,0.7832482352134877,0.6713470632581728
EOS-3-36763,Fc1cc(-c2nccnc2-c2nnc3cncc(-c4ncc(-c5cccnc5F)cn4)n23)ccn1,FLMJCSWZFLBWBI-UHFFFAOYSA-N,3,1,0.259,86,989,466.415,3.441,6,0.36,0.63,0.989,0.30129874580220684,0.29950825851552326,0.4032365841957371,0.46738571722294564,0.3678573264341032
EOS-3-36764,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)c1,CJXKBOKBNYEIHF-UHFFFAOYSA-N,3,1,0.537,35,300,443.898,4.227,5,0.363,0.65,1.0,0.8667757521759989,0.8091631827839079,0.4853162908642314,0.47931087656774723,0.6601415255979713
EOS-3-36765,Cc1cccc(-c2cnc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)cn2)n1,MIWPDALFSUVCNY-UHFFFAOYSA-N,3,1,0.312,85,674,416.836,2.381,5,0.434,0.6,0.999,0.1788345555479405,0.16015009252278803,0.06114214241655815,0.09046672606401206,0.12264837913782468
EOS-3-36766,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,MZRZBTAPUASDLM-UHFFFAOYSA-N,3,1,0.446,16,638,448.874,3.223,5,0.364,0.66,1.0,0.4005294359536701,0.4377013227331917,0.4954252621478994,0.4072030703858543,0.43521477280515386
EOS-3-36767,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccnnc5)c4)n23)c(Cl)c1,XWLISJHSNBJPNH-UHFFFAOYSA-N,3,1,0.625,88,70,464.863,4.801,5,0.359,0.73,1.0,0.9595983825645946,0.9832773627578645,0.9450860119251594,0.9533445274484271,0.9603265711740114
EOS-3-36769,Fc1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccncc5)n34)n2)s1,YZAMXVLVMVNWMJ-UHFFFAOYSA-N,3,1,0.308,76,176,454.454,3.363,6,0.395,0.57,0.721,0.1595161400863546,0.2328575834418477,0.09199163868137893,0.1404632992940854,0.15620716537591667
EOS-3-36770,Clc1ccc(CCOc2cncc3nnc(-c4cccc(-c5c[nH]nn5)c4)n23)nc1,RCXGGTFZPCMVHI-UHFFFAOYSA-N,3,1,0.516,15,563,418.848,3.246,5,0.451,0.62,1.0,0.722585840586663,0.7323949695017477,0.4358680008224248,0.4856161332328148,0.5941162360359125
EOS-3-36771,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cn(C(C)C)nn5)n34)c2)n(C)n1,WXHGRKCGGQBGQP-UHFFFAOYSA-N,3,1,0.46,92,986,430.476,2.647,5,0.404,0.59,1.0,0.11586765814543211,0.14483243095058598,0.06928072099239257,0.022308272222602975,0.08807227057775341
EOS-3-36772,Cn1nc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1-c1ccc(F)nc1,JFDOLKBZHBBRJK-UHFFFAOYSA-N,3,1,0.406,95,235,468.855,3.535,5,0.352,0.69,0.994,0.4621598930847783,0.4640531834692619,0.5635237475155918,0.6197056404632993,0.5273606161332328
EOS-3-36773,Cn1cc(CCOc2cncc3nnc(-c4cc(F)nc(-c5ccncc5F)c4)n23)cn1,HOHXGQPXHQYLEH-UHFFFAOYSA-N,3,1,0.511,65,847,434.41,2.882,5,0.379,0.6,1.0,0.5532691385100404,0.47720341306284697,0.5539459255705572,0.518024809814269,0.5256108217394284
EOS-3-36774,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)nn1,CTKPLZAOIFNVGG-UHFFFAOYSA-N,3,1,0.267,70,14,421.428,2.434,6,0.46,0.57,0.416,0.09309677198272907,0.08531800424919471,0.10162942910013022,0.1067438832156809,0.09669702213693372
EOS-3-36775,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)cn1,CXGOUCNTUIXQPC-UHFFFAOYSA-N,3,1,0.461,18,840,413.416,3.404,5,0.394,0.8,1.0,0.7468216708930162,0.6407117401137687,0.5738126242204098,0.5578010417380577,0.629786769241313
EOS-3-36776,Clc1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccoc6)nc5)n34)cn2)ccn1,GBZVYNVKSUWRPN-UHFFFAOYSA-N,3,1,0.365,42,989,452.865,4.619,6,0.356,0.72,1.0,0.23715817969981495,0.27890480433143716,0.5738211911452266,0.6224556233294497,0.42808494962648214
EOS-3-36777,COc1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ccc(F)cn1,GNGCMBSATZYWTE-UHFFFAOYSA-N,3,1,0.439,49,501,461.432,3.552,5,0.363,0.62,0.999,0.7843276677403879,0.6125779590158317,0.5635323144404085,0.4977725995476664,0.6145526351860736
EOS-3-36778,Fc1cc(CCOc2cncc3nnc(-c4nc(F)c(-c5ncccn5)cc4F)n23)ccn1,IBHSORLKRPRBRD-UHFFFAOYSA-N,3,1,0.452,18,262,450.384,3.077,5,0.364,0.6,1.0,0.8577119457199643,0.7847217462819547,0.5096806250428346,0.5180333767390858,0.6675369234459598
EOS-3-36779,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5F)nn4)n23)cc1Cl,MCTFSWVYCUKFLR-UHFFFAOYSA-N,3,1,0.311,98,620,473.863,3.022,6,0.358,0.66,1.0,0.019104242341169215,0.20296758275649374,0.3031063669385238,0.4038191350832705,0.23224933177986432
EOS-3-36780,CCc1ccc(C(F)F)nc1-c1nnc2cncc(-c3ccc(-c4ncon4)cc3F)n12,IEAABKWLHRRWJJ-UHFFFAOYSA-N,3,1,0.3,50,315,437.385,4.542,5,0.398,0.63,0.995,0.3344441779178946,0.4727486121581797,0.737723596737715,0.691976218216709,0.5592231512576246
EOS-3-36781,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cnn(C)c5)nn4)n23)cn1,HPWDWKGIZZUIKX-UHFFFAOYSA-N,3,1,0.209,86,953,437.431,1.328,6,0.396,0.54,1.0,5.140154890000685e-05,0.001987526557466932,0.019498320882735933,0.01571174011376876,0.009312247275717908
EOS-3-36782,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ncc(Cl)cc5F)n34)c2)cn1,VEHJHQFAAURTQO-UHFFFAOYSA-N,3,1,0.4,18,157,465.851,4.196,5,0.347,0.7,1.0,0.7287711603042971,0.7590466726064012,0.7547632101980672,0.794822150640806,0.759350798437393
EOS-3-36783,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)c(F)c5)cn4)n23)c1,RMRAXDVBJRCUJR-UHFFFAOYSA-N,3,1,0.436,18,429,465.851,4.196,5,0.347,0.7,1.0,0.8866852854499349,0.8810396819957508,0.8302892193818107,0.8442190391337125,0.8605583064903022
EOS-3-36784,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5F)n34)nc2)s1,JUMXSHNVAPQDQR-UHFFFAOYSA-N,3,1,0.284,70,154,456.47,3.604,6,0.399,0.61,0.999,0.15152319923240354,0.2995168254403399,0.16592419984922213,0.17408847919950654,0.19776317593036802
EOS-3-36785,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(N)=O)nc5)n34)cn2)[nH]c1F,MORDODIKYVLXLL-UHFFFAOYSA-N,3,1,0.511,55,283,445.418,2.097,5,0.403,0.62,0.993,0.46951031457747927,0.36274929751216506,0.16923959975327257,0.10256322390514701,0.276015608937016
EOS-3-36786,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1,IPOCJPMMZHCLTG-UHFFFAOYSA-N,3,1,0.321,64,27,465.427,4.046,6,0.384,0.63,1.0,0.30654170379000756,0.35830306353231445,0.6665067507367556,0.7461448838324994,0.5193741004728942
EOS-3-36787,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)nn4)n23)n1,HTYWOXCJXOVXQQ-UHFFFAOYSA-N,3,1,0.415,53,411,467.28,2.757,5,0.344,0.65,0.636,0.6232694811870331,0.6508121444726201,0.12624220409841683,0.19353539853334248,0.39846480707285314
EOS-3-36788,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4nccnc4-c4cncnc4)n23)ncn1,DBTURUBJAHAKBZ-UHFFFAOYSA-N,3,1,0.219,86,953,435.415,1.291,6,0.394,0.54,0.906,0.032622849701871015,0.0067507367555342335,0.0222483037488863,0.025743609074086765,0.02184137482009458
EOS-3-36789,Cc1csc(COc2cncc3nnc(-c4cccc(-c5ncc(C)n5C)c4)n23)n1,CWHGKSVGBJATQO-UHFFFAOYSA-N,3,1,0.519,4,506,417.498,3.844,5,0.432,0.74,1.0,0.22610684668631348,0.18930333767390858,0.11513090261119868,0.07233054622712631,0.15071790829963674
EOS-3-36790,OCc1ccc(-c2nnc3cncc(OCc4nncc(-c5ccc(F)nn5)n4)n23)nc1,CUXAPMSSMPPBTR-UHFFFAOYSA-N,3,1,0.411,53,760,432.379,1.039,5,0.41,0.55,0.989,0.5094664519224179,0.4683280789527791,0.10433657734219724,0.10894558289356453,0.2977691727777397
EOS-3-36791,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C(C)(C)O)nc4)n23)cc1F,ZAHSXRIHLJBNFM-UHFFFAOYSA-N,3,1,0.349,63,413,407.409,1.974,4,0.531,0.88,1.0,0.36226954972243164,0.31464601466657527,0.32512336371736,0.1357257898704681,0.2844411794942087
EOS-3-36792,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cnn2)c1,FZBYKTQNCMBKHE-UHFFFAOYSA-N,3,1,0.44,53,778,449.837,2.847,5,0.385,0.54,0.995,0.6831265848810911,0.7503940785415667,0.34333664587759577,0.432715372489891,0.5523931704475361
EOS-3-36793,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)c(F)n4)n23)nc1,ZWZIRSHIIZFAII-UHFFFAOYSA-N,3,1,0.267,30,301,449.453,4.148,6,0.403,0.63,1.0,0.2232026591734631,0.29952539236515663,0.48532485778904805,0.49778116647248305,0.3764585189500377
EOS-3-36794,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)nn1,WSUIBQJADAOZFW-UHFFFAOYSA-N,3,1,0.537,4,534,414.404,3.065,5,0.432,0.69,1.0,0.7468302378178329,0.6997121513261599,0.35860290590089783,0.3182269892399424,0.5308430710712083
EOS-3-36795,Cc1cc(COc2cncc3nnc(-c4cc(Cl)c(-c5ccccn5)cc4F)n23)n(C)n1,YCBXSEBPKKYQST-UHFFFAOYSA-N,3,1,0.512,4,10,449.877,4.267,5,0.398,0.65,1.0,0.4695188815022959,0.5890960180933452,0.6203310259749161,0.6224641902542664,0.5753525289562059
EOS-3-36796,Cn1nncc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)c1,CNKOZHCWOUOWIB-UHFFFAOYSA-N,3,1,0.448,65,349,434.851,2.047,5,0.369,0.6,1.0,0.429879720375574,0.4377098896580084,0.11810362552258241,0.1293091631827839,0.27875059968473714
EOS-3-36797,Cc1cnc(-c2ncccc2-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)cn1,JLKNOGVDERGRSX-UHFFFAOYSA-N,3,1,0.333,32,371,442.486,4.681,6,0.391,0.65,1.0,0.07929545610307724,0.07500342676992666,0.3433452128024124,0.382299019943801,0.21998577890480434
EOS-3-36798,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)n1,YKANQCUIOUWNCH-UHFFFAOYSA-N,3,1,0.394,18,296,445.874,3.017,5,0.388,0.55,0.786,0.637584812555685,0.5504077856212733,0.23062161606469742,0.2516619834144336,0.41756904941402234
EOS-3-36799,CCOc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccnn5C)cn4)n23)cn1,WVRLVRQWZAAKEE-UHFFFAOYSA-N,3,1,0.337,85,290,412.457,2.971,5,0.423,0.75,1.0,0.1265677472414502,0.13037146186005072,0.23761222671509835,0.13819306421766842,0.15818612500856694
EOS-3-36800,CCn1c(-c2nnc(C)s2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,IBWXDBZSOYAJET-UHFFFAOYSA-N,3,1,0.316,99,754,467.522,3.354,6,0.375,0.65,0.774,0.025280995133986704,0.028964772805153863,0.005225824138167363,0.00711911452265095,0.016647676649989722
EOS-3-36801,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cn1,BUOZNPFGMSNOMS-UHFFFAOYSA-N,3,1,0.402,7,511,449.837,3.113,5,0.373,0.58,1.0,0.6584709752587211,0.5408642313755054,0.47145500651086286,0.4641816873415119,0.5337429751216504
EOS-3-36802,Cc1ccc(-c2nnc3cncc(OCCc4noc(-c5ccccc5C)n4)n23)c(Cl)c1,KJPRPVAATBALBT-UHFFFAOYSA-N,3,1,0.583,91,309,446.898,4.733,5,0.372,0.74,1.0,0.5401960112398053,0.6652474127887054,0.3360461928586115,0.40382770200808715,0.48632932972380233
EOS-3-36803,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)s1,JXCWRNSOLOWFSE-UHFFFAOYSA-N,3,1,0.448,73,196,453.89,4.385,5,0.39,0.73,1.0,0.7437461448838325,0.817053320540059,0.49543382907271605,0.5180419436639024,0.6435688095401274
EOS-3-36804,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nnco6)c5)n34)cn2)cc1,TZZOBGFLGGAKSS-UHFFFAOYSA-N,3,1,0.311,30,945,419.408,3.36,6,0.423,0.62,0.968,0.12657631416626688,0.11077033787951476,0.2737732163662532,0.32759063806456035,0.2096776266191488
EOS-3-36805,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)nc(Cl)n4)n23)cn1,AGMAGMJRCIVWCN-UHFFFAOYSA-N,3,1,0.483,31,569,433.863,2.652,5,0.376,0.6,1.0,0.38763621410458504,0.3290127475841272,0.12360359125488314,0.1382016311424851,0.2446135460215201
EOS-3-36806,Cc1ccc(-c2nnc3cncc(-c4nc(N5CC(C(F)F)CCC5C)ns4)n23)cn1,FWSHGKCKSPBXDD-UHFFFAOYSA-N,3,1,0.341,78,792,442.499,3.883,5,0.474,0.56,1.0,0.07502912754437667,0.11657014598039887,0.02971866218902063,0.11615036666438215,0.08436707559454458
EOS-3-36807,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4F)n23)cn1,NNJSDGKPSSRELR-UHFFFAOYSA-N,3,1,0.474,66,455,417.326,2.429,4,0.403,0.66,1.0,0.2935456788431225,0.4418477143444589,0.8516465629497636,0.6890120622301419,0.5690130045918718
EOS-3-36808,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3ncc(C)nc3C)n12,PXNKKNBBJPYCPI-UHFFFAOYSA-N,3,1,0.402,7,804,443.471,2.581,5,0.39,0.56,0.999,0.33195120279624424,0.11657871290521554,0.029727229113837298,0.00855835789185114,0.12170387567678706
EOS-3-36809,CCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)s1,GBOHJEGWOSAUIP-UHFFFAOYSA-N,3,1,0.521,58,578,448.487,3.423,5,0.349,0.67,1.0,0.5428431910081557,0.6702162291823727,0.09907648550476321,0.11382016311424852,0.3564890172023851
EOS-3-36810,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)no5)n34)cc2)nc1,VPSBNHSDGIFGEQ-UHFFFAOYSA-N,3,1,0.298,42,171,432.447,4.274,6,0.406,0.67,1.0,0.1001987526557467,0.10408813652251388,0.5131844972928518,0.4704355424576794,0.2969767322321979
EOS-3-36811,FC(F)c1ccc(-c2nnc3cncc(CCc4cc(Cl)cc(Cl)c4)n23)cn1,YFTJVAGEIQRCCE-UHFFFAOYSA-N,3,1,0.416,66,225,420.25,5.216,4,0.445,0.79,1.0,0.519498320882736,0.6847714344458913,0.9625111370022617,0.9730141868274964,0.7849487697895963
EOS-3-36813,Cc1nc(-c2nnc3cncc(OCCc4cncs4)n23)ccc1-c1csnn1,RKCWTXBHHIVOOG-UHFFFAOYSA-N,3,1,0.442,31,466,422.499,3.091,5,0.411,0.68,0.998,0.33906175039407854,0.24337776711671577,0.04453087519703927,0.04520766225755603,0.1680445137413474
EOS-3-36814,Cc1cncc(COc2cncc3nnc(-c4cccc(-c5ccnc(CF)c5)c4)n23)c1F,QCGHZFZZAKWVLD-UHFFFAOYSA-N,3,1,0.478,97,655,444.445,4.744,5,0.376,0.72,0.999,0.7163234185456788,0.5734528133781098,0.8499588787608799,0.7925347817147557,0.7330674730998561
EOS-3-36815,Fc1cncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)s2)c1,NFZUIOMDYWQJAR-UHFFFAOYSA-N,3,1,0.342,42,818,452.478,4.573,6,0.387,0.67,1.0,0.19297854842025908,0.3627578644369817,0.47819717634158043,0.5738211911452266,0.401938695086012
EOS-3-36816,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)nc1,JMMFCAKOXIGBCE-UHFFFAOYSA-N,3,1,0.448,7,535,415.392,2.46,5,0.427,0.66,1.0,0.5454989377013227,0.5089610033582346,0.21624631622232884,0.18523404838599136,0.3639850764169694
EOS-3-36817,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)cn1,NIZGHSMZTZPXPX-UHFFFAOYSA-N,3,1,0.471,7,535,415.392,2.46,5,0.427,0.66,1.0,0.6205023644712494,0.6604670687410047,0.26265334795421835,0.2108234528133781,0.43861155849496264
EOS-3-36818,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)cn5)n4)n23)cn1,AQUAERZNJYFCOK-UHFFFAOYSA-N,3,1,0.444,7,535,415.392,2.46,5,0.427,0.66,1.0,0.5895500651086286,0.6125865259406483,0.2522102666027003,0.21083201973819476,0.416294719347543
EOS-3-36819,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)nc1,ZEHFETZHRYRXRP-UHFFFAOYSA-N,3,1,0.524,2,970,416.832,3.271,5,0.43,0.65,1.0,0.5045233363032006,0.612595092865465,0.4921184291686656,0.5112312384346515,0.5301170241929957
EOS-3-36820,CCc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)s1,CWEURLFWKUSIBA-UHFFFAOYSA-N,3,1,0.563,87,796,443.536,4.197,5,0.372,0.73,0.987,0.42988828730039064,0.43771845658282504,0.049705297786306626,0.04148104996230553,0.23969827290795695
EOS-3-36821,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5nnc(C)c(C)n5)n34)cs2)nc1,JSFUBTROIJMCCV-UHFFFAOYSA-N,3,1,0.413,92,986,431.485,2.999,5,0.414,0.6,1.0,0.27425296415598654,0.1809334521280241,0.013518607360701802,0.007127681447467617,0.11895817627304503
EOS-3-36822,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)nc1,GNVYKKFQRVOGRG-UHFFFAOYSA-N,3,1,0.278,82,100,409.409,3.097,5,0.417,0.92,0.992,0.19857275032554314,0.0885905695291618,0.39973271194571997,0.3059591529024741,0.24821379617572475
EOS-3-36823,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5cnccn5)n4C)n23)nc1,JSBUDZXRUMFZCY-UHFFFAOYSA-N,3,1,0.296,86,953,464.453,1.904,6,0.368,0.6,0.472,0.04818038516893976,0.01802480981426907,0.015429031594818723,0.01360427660886848,0.023809625796724007
EOS-3-36824,Cc1nsc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnco6)nc5)n34)nn2)n1,ZQTOMEWNLLACJL-UHFFFAOYSA-N,3,1,0.354,6,843,456.451,3.251,6,0.377,0.68,1.0,0.4136710986224385,0.33368172160921117,0.049713864711123296,0.0414896168871222,0.2096390754574738
EOS-3-36825,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ncn2)cn1,KGELZWVJTIDPEU-UHFFFAOYSA-N,3,1,0.456,18,194,414.404,2.799,5,0.391,0.74,1.0,0.707319580563361,0.5841443355493112,0.4468250976629429,0.4168579946542389,0.5387867521074635
EOS-3-36826,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)nc4)n23)c(F)c1,KRUTZPZOSCGVKS-UHFFFAOYSA-N,3,1,0.325,32,693,438.426,4.048,6,0.409,0.59,1.0,0.2532125968062504,0.28412206154478786,0.579895140840244,0.5414210814885888,0.41466272016996775
EOS-3-36827,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)n(C)n1,NAZYAHCZPFREQP-UHFFFAOYSA-N,3,1,0.495,58,954,451.943,4.232,5,0.384,0.68,1.0,0.5325286135288877,0.665255979713522,0.27378178329106984,0.27553800287848673,0.4367760948529916
EOS-3-36828,COc1nc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3ncc(Cl)cn3)n12,AGTLJVJAGSJULX-UHFFFAOYSA-N,3,1,0.451,65,795,461.873,2.717,5,0.357,0.61,1.0,0.6178723185525323,0.5315862517990542,0.1262507710232335,0.11615893358919882,0.3479670687410047
EOS-3-36829,Fc1cccc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)nn5)n34)c2)n1,VLVUNSRNNHHWIS-UHFFFAOYSA-N,3,1,0.366,14,613,433.834,4.015,5,0.386,0.62,1.0,0.52493831814132,0.5938078267425125,0.6441727777397026,0.6775580837502571,0.610119251593448
EOS-3-36830,Cc1nnc(-c2cccc(-c3nnc4cncc(COc5ccc(F)c(F)c5F)n34)c2)s1,VKSJNXAOPROBAS-UHFFFAOYSA-N,3,1,0.414,14,189,454.437,4.615,5,0.361,0.75,1.0,0.5019275580837502,0.6362312384346515,0.8097200328969913,0.7832568021383044,0.6827839078884244
EOS-3-36831,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)cn1,QOYPFLWKPVNXLX-UHFFFAOYSA-N,3,1,0.327,82,155,409.413,2.065,5,0.478,0.74,1.0,0.15952470701117127,0.06413199917757521,0.06928928791720924,0.04264615173737235,0.08389803646083202
EOS-3-36832,Clc1ccc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cc[nH]n5)c4)n23)nn1,GKXHEMHQIYDQPW-UHFFFAOYSA-N,3,1,0.434,58,602,454.281,3.295,5,0.388,0.58,0.766,0.6205109313960661,0.7416729490781989,0.2921835377972723,0.40383626893290386,0.5145509218011103
EOS-3-36833,FCc1nc(COc2cncc3nnc(-c4cc(-c5cccnc5F)ccn4)n23)ccc1F,MLANELCWGHDLPC-UHFFFAOYSA-N,3,1,0.442,46,160,449.396,3.97,5,0.362,0.68,0.997,0.592454252621479,0.6126036597902816,0.7143444589130286,0.6975532862723597,0.6542389143992873
EOS-3-36834,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nc(=N)nc(C)[nH]5)nc4)n23)n1,FPJNTMZFIOQUIE-UHFFFAOYSA-N,3,1,0.417,7,464,432.473,2.103,5,0.43,0.71,0.999,0.34855390309094647,0.2995339592899733,0.02529812898362004,0.008909601809334521,0.17057389829346858
EOS-3-36835,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)c(F)c3)n12,SULAPJSUXCLMAH-UHFFFAOYSA-N,3,1,0.688,47,273,419.395,3.476,5,0.453,0.63,1.0,0.9389777945308752,0.8553560413953807,0.7501884723459666,0.7537094784456172,0.8245579466794599
EOS-3-36836,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5ccoc5)cn4)n23)cc(Cl)n1,IFHOBYQGCFBNEH-UHFFFAOYSA-N,3,1,0.465,51,969,419.832,3.777,5,0.396,0.69,1.0,0.6375933794805017,0.6028544993489137,0.41361969707353846,0.40721163731067095,0.5153198033034062
EOS-3-36837,Cc1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(-c6cccnc6)n5)ccc4C)n23)cn1,LKJQRWHLEIZFAT-UHFFFAOYSA-N,3,1,0.318,42,174,456.513,4.989,6,0.369,0.75,1.0,0.17584469878692344,0.09764580906037969,0.5369577136591049,0.47351106846686314,0.3209898224933178
EOS-3-36838,Cc1ncc(-c2nnc3cncc(OCc4ccncc4F)n23)cc1-c1nccn1C,JRZGPNKOQNLESQ-UHFFFAOYSA-N,3,1,0.429,2,184,416.42,3.008,5,0.435,0.68,0.993,0.6346549242683847,0.522668083064903,0.4069374957165376,0.3308203687204441,0.47377021794256735
EOS-3-36839,Cc1nc(-c2ncc[nH]2)cc(-c2nnc3cncc(Cc4nnc(-c5ccc(F)cc5)s4)n23)n1,MMZFTJQQAKRLMD-UHFFFAOYSA-N,3,1,0.291,85,81,470.497,3.528,6,0.406,0.65,0.534,0.1210078130354328,0.21262250702487834,0.07787334658351039,0.12730450277568364,0.1347020423548763
EOS-3-36840,Cn1nc(-c2nnc3cncc(OCCc4cccnn4)n23)cc1-c1ccc(F)nc1,ADSFFPVZZKMGCW-UHFFFAOYSA-N,3,1,0.418,95,235,417.408,2.137,5,0.387,0.69,1.0,0.37618223562470016,0.314654581591392,0.1563720786786375,0.1633198547049551,0.2526321876499212
EOS-3-36841,COc1ccncc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5nnc(C)s5)cc4)n23)n1,COGBGUHAKFGBDF-UHFFFAOYSA-N,3,1,0.337,98,973,469.494,2.665,6,0.371,0.64,1.0,0.048188952093756426,0.08859913645397847,0.029735796038653964,0.023182098553903092,0.047426495785072985
EOS-3-36842,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)nc1F,NOQIWJDRBQJZKR-UHFFFAOYSA-N,3,1,0.441,31,773,434.41,2.882,5,0.379,0.59,1.0,0.7132821602357617,0.5134500719621684,0.540281680487972,0.48562470015763143,0.5631596532108833
EOS-3-36843,CC#Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)cnn4)n23)cn1,SFSMEXRRXXHELD-UHFFFAOYSA-N,3,1,0.413,65,466,435.451,2.426,5,0.371,0.58,1.0,0.5325371804537044,0.2841306284696046,0.25547426495785075,0.19354396545815913,0.31642150983482975
EOS-3-36844,CCCOc1ncc(-c2nnc3cncc(Cc4cnc(-c5cncnn5)s4)n23)cc1F,UMXTYZTWVLEKPA-UHFFFAOYSA-N,3,1,0.303,85,60,449.475,3.014,5,0.369,0.64,1.0,0.402722568706737,0.4197536152422726,0.0534918785552738,0.05182989514084024,0.2319494894112809
EOS-3-36845,CCn1nc(C)cc1-c1cccc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,UYSBOBDIMIRFGS-UHFFFAOYSA-N,3,1,0.533,43,146,446.461,4.84,5,0.373,0.77,1.0,0.5069563429511342,0.6262593379480502,0.7429579878006991,0.7143101912137619,0.6476209649784114
EOS-3-36846,Clc1cnc(CCOc2cncc3nnc(-c4cc(-c5ncccc5Cl)cnn4)n23)cn1,RWBJBSRVFYOCMJ-UHFFFAOYSA-N,3,1,0.414,20,873,466.292,3.362,5,0.371,0.61,0.403,0.577830511959427,0.5938163936673292,0.26983243095058596,0.4137053663217052,0.46379617572476184
EOS-3-36847,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)cc2)cn1,UFORRYHAHQGBNT-UHFFFAOYSA-N,3,1,0.343,38,983,418.42,3.965,6,0.423,0.65,1.0,0.1515317661572202,0.13746487560825166,0.4989634020971832,0.4793194434925639,0.3168198718388047
EOS-3-36848,CC(C)n1nc(Cc2ccc(Cl)cn2)nc1-c1cncc2nnc(-c3ccccc3F)n12,RVXNRNCADIECLP-UHFFFAOYSA-N,3,1,0.392,22,844,448.893,4.409,5,0.396,0.66,0.997,0.162420327599205,0.3532657117401138,0.21986155849496264,0.33724556233294495,0.26819829004180656
EOS-3-36849,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ncn2)nc1,LNGJPMFEUUQCDF-UHFFFAOYSA-N,3,1,0.419,18,481,466.839,3.591,5,0.374,0.62,0.808,0.7526300459187171,0.6898087862380919,0.677532382975807,0.7247875402645466,0.7111896888492906
EOS-3-36850,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5ncc(F)nn5)n4)n23)cn1,LGZRFIHHMKCSCZ-UHFFFAOYSA-N,3,1,0.43,51,185,416.38,1.855,5,0.418,0.66,1.0,0.6122781166472483,0.6311082173942841,0.06929785484202591,0.06184463025152491,0.3436322047837708
EOS-3-36851,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ncn2)n1,WZMQIOCAIVNTJR-UHFFFAOYSA-N,3,1,0.392,46,726,448.849,3.718,5,0.4,0.57,0.768,0.6891834007264752,0.5734613803029265,0.5863546021520115,0.580254951682544,0.6073135837159893
EOS-3-36852,Fc1cccc(-c2cncnc2-c2nnc3cncc(-c4cncc(-c5cccnc5F)c4)n23)c1,QQBPGUSRHLDMMN-UHFFFAOYSA-N,3,1,0.322,42,106,464.439,4.651,6,0.351,0.76,0.871,0.3040144609690905,0.3336902885340278,0.8118788979507916,0.84975327256528,0.5748342300047975
EOS-3-36853,Cc1cc(-c2cnc(COc3cncc4nnc(-c5cnc(-c6cccnc6)cn5)n34)nc2)no1,NCYFRLSGMKTKJX-UHFFFAOYSA-N,3,1,0.365,80,855,464.449,2.976,6,0.359,0.65,1.0,0.3091546158590912,0.24840655198409978,0.12096497841134946,0.09632650263861284,0.19371316222328833
EOS-3-36854,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cncs5)n4)n23)cc1,QMXMIENJTIBDFZ-UHFFFAOYSA-N,3,1,0.293,8,927,427.457,2.291,6,0.421,0.56,1.0,0.021220272770886162,0.03786580768967172,0.04304879720375574,0.058949009663491196,0.040270971831951205
EOS-3-36855,Cc1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cccnc5F)n4)n23)cn1,KGRKSAZXVPWUDL-UHFFFAOYSA-N,3,1,0.402,14,81,415.407,3.821,5,0.415,0.71,0.996,0.3552875059968474,0.4331951202796244,0.634800561990268,0.6280583921595504,0.5128353951065725
EOS-3-36856,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccn1,XHQUGCKZLWMLFQ-UHFFFAOYSA-N,3,1,0.517,65,359,450.865,3.396,5,0.391,0.56,1.0,0.7468388047426496,0.6028630662737304,0.502501542046467,0.5112398053594681,0.5908608046055788
EOS-3-36858,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccnc6)s5)n34)nc2)cc1F,AAOCJTRCRKXZLE-UHFFFAOYSA-N,3,1,0.287,32,572,466.505,4.881,6,0.365,0.78,1.0,0.12658488109108354,0.25323829758070043,0.4680796381330957,0.5279967103008704,0.34397488177643754
EOS-3-36859,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)n6)cn5)n34)nn2)n1,AXWXHTQMQQQJIP-UHFFFAOYSA-N,3,1,0.244,99,14,453.405,1.43,6,0.356,0.58,0.595,0.10020731958056336,0.13747344253306834,0.029744362963470633,0.047863408950723045,0.07882213350695635
EOS-3-36860,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)nn5C)n34)cn2)n(C)n1,JXMILFBZGQLPFT-UHFFFAOYSA-N,3,1,0.433,36,662,435.879,2.861,5,0.418,0.6,1.0,0.3761908025495168,0.4772119799876636,0.1503152628332534,0.12527414159413336,0.2822480467411418
EOS-3-36861,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)[nH]n2)n1,ZXYVDFYKBTVMMJ-UHFFFAOYSA-N,3,1,0.374,7,963,417.408,2.701,5,0.463,0.66,1.0,0.4435782331574258,0.3290213145089439,0.237620793639915,0.17409704612432322,0.29607934685765197
EOS-3-36862,Cn1cnnc1-c1cnnc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)c1,SMCLTDZCSFVNEX-UHFFFAOYSA-N,3,1,0.389,53,182,422.359,1.629,5,0.389,0.6,1.0,0.46216846000959494,0.3583116304571311,0.2376293605647317,0.2607343567952848,0.32971095195668565
EOS-3-36863,COc1c(F)ccc(Oc2cncc3nnc(-c4cncc(-c5nnc(C)s5)c4)n23)c1F,WZFUFDZUKJIJSM-UHFFFAOYSA-N,3,1,0.418,13,995,453.434,4.092,5,0.392,0.68,0.977,0.5169796449866356,0.5271914193681037,0.5334795421835378,0.4327239394147077,0.5025936364882462
EOS-3-36864,COc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ncccc1F,FIYHFOYYEQLIKZ-UHFFFAOYSA-N,3,1,0.453,49,501,461.432,3.552,5,0.339,0.68,1.0,0.829792337742444,0.6126122267150983,0.5234476732232198,0.4517168117332602,0.6043922623535056
EOS-3-36865,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5ncc(Cl)cn5)n4)n23)ccc1Cl,IOZWSISDSWWFQJ-UHFFFAOYSA-N,3,1,0.511,73,82,464.316,4.838,5,0.368,0.76,1.0,0.7287797272291139,0.852357617709547,0.6348091289150847,0.6890206291549585,0.726241775752176
EOS-3-36866,COc1ccc(-c2cncnn2)cc1-c1cncc2nnc(-c3cnc(C4(O)COC4)nc3)n12,NCDIGSFIRUXIRG-UHFFFAOYSA-N,3,1,0.312,82,974,455.438,1.327,6,0.409,0.55,1.0,0.23983962716743198,0.10409670344733055,0.13206771297375094,0.1089541498183812,0.14623954835172365
EOS-3-36867,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)nc4)n23)cn1,JXTZOWJAMYCBGI-UHFFFAOYSA-N,3,1,0.467,80,34,450.466,2.746,6,0.381,0.56,1.0,0.33445274484271126,0.19842711260365978,0.23063018298951407,0.1582653690631211,0.23044385237475157
EOS-3-36868,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5cc(F)ccc5F)n34)ccn2)cn1,QILPLCNZLWHLPJ-UHFFFAOYSA-N,3,1,0.5,13,110,417.379,4.022,5,0.436,0.7,1.0,0.7073281474881776,0.6946148310602426,0.745305325200466,0.7116373106709616,0.7147214036049618
EOS-3-36869,Cc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5ccnn5C)c4)n23)n(C)n1,YSNMROSVYMOIKA-UHFFFAOYSA-N,3,1,0.524,36,662,418.436,2.952,5,0.436,0.66,1.0,0.35529607292166404,0.36276643136179837,0.3659533273935988,0.27857069426358716,0.34064663148516205
EOS-3-36870,Cc1cc(Cl)c(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)cn1,RPXRSBDFQMODLM-UHFFFAOYSA-N,3,1,0.474,87,173,461.888,4.366,5,0.347,0.72,1.0,0.7496830237817833,0.7804211500239874,0.6965338222191763,0.6975618531971763,0.7310499623055309
EOS-3-36871,OC(c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4Cl)n23)cc1)C1CC1,CIKOTWPUFAYCHA-UHFFFAOYSA-N,3,1,0.494,90,636,442.306,4.516,5,0.473,0.67,1.0,0.8373569323555616,0.7678363374683024,0.8516551298745803,0.9082825029127545,0.8412827256527996
EOS-3-36872,CCc1cc(Cl)cnc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cc3Cl)n12,WDOKBZGKQBFVPZ-UHFFFAOYSA-N,3,1,0.287,50,844,449.305,4.575,5,0.397,0.64,1.0,0.3013073127270235,0.3387704749503118,0.5799037077650606,0.7143187581385786,0.48357506339524364
EOS-3-36873,COc1ncc(-c2nnc3cncc(OCCc4cncnn4)n23)cc1-c1cnccn1,MQEBNUFHDSXMMN-UHFFFAOYSA-N,3,1,0.413,65,822,428.416,1.458,5,0.372,0.61,1.0,0.41144369817010484,0.20769652525529436,0.05350044548009047,0.034558974710437944,0.1767999109039819
EOS-3-36874,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)n(C)n1,NUFMARFQAHSYAD-UHFFFAOYSA-N,3,1,0.659,84,73,445.914,4.17,5,0.39,0.64,1.0,0.46217702693441165,0.5226766499897197,0.5402902474127887,0.5378401069152217,0.5157460078130355
EOS-3-36875,Cn1cncc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5cncc(F)n5)cn4)n23)s1,SRKFEFBGGWGUAQ-UHFFFAOYSA-N,3,1,0.341,86,812,456.47,3.306,6,0.397,0.58,1.0,0.11314337605373176,0.18931190459872524,0.1756990610650401,0.1988211911452265,0.1692438832156809
EOS-3-36876,CCc1ccc(COc2cncc3nnc(-c4ccnc(-c5cc(C)n(C)n5)c4)n23)nn1,ZFWOZAGACAVFAK-UHFFFAOYSA-N,3,1,0.455,53,241,427.472,2.827,5,0.407,0.63,1.0,0.1845315605510246,0.1412086217531355,0.06930642176684257,0.033522376807621136,0.10714224521965596
EOS-3-36877,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)cn2)n1,WMYAPNXDELBCMR-UHFFFAOYSA-N,3,1,0.435,55,283,449.837,3.113,5,0.373,0.6,1.0,0.7674936604756357,0.7969381810705229,0.40694606264135424,0.4200877253101227,0.5978664073744089
EOS-3-36878,COc1ncccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)cn1,LGRTZZSANRYYSV-UHFFFAOYSA-N,3,1,0.318,38,167,461.489,3.719,6,0.382,0.6,1.0,0.1704818038516894,0.09765437598519636,0.35120108285929685,0.2547289424988006,0.2185165512987458
EOS-3-36879,FCc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)ccc2F)cn1,XLJUQDSZEGFXLO-UHFFFAOYSA-N,3,1,0.623,13,145,450.836,5.303,5,0.361,0.82,1.0,0.9199849222123226,0.9364591186347748,0.8904461654444521,0.9094561716126379,0.9140865944760469
EOS-3-36880,Cc1cnc(-c2ncc(COc3cncc4nnc(-c5ccnc(C)c5)n34)s2)cn1,ZXAVVPWHJTVVGV-UHFFFAOYSA-N,3,1,0.549,7,99,416.47,3.296,5,0.43,0.72,1.0,0.39638304434240285,0.32468645055170997,0.09642930573641285,0.06341237749297512,0.22022779453087518
EOS-3-36881,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,FKLODROPMCTCHK-UHFFFAOYSA-N,3,1,0.61,72,386,413.416,3.404,5,0.421,0.75,1.0,0.9116321705160716,0.8966571859365362,0.5958553217736962,0.5833647453909945,0.7468773559043247
EOS-3-36882,Cn1nc(-c2ccc(C(F)(F)F)nn2)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,GWNMPMRYWJGIIC-UHFFFAOYSA-N,3,1,0.481,34,706,472.818,4.446,5,0.381,0.73,1.0,0.7256870673702968,0.8671955314920157,0.8978479884860531,0.8385734356795285,0.8323260057569735
EOS-3-36883,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(F)cn5)c4)n23)cc1,IKQXNXDZYPLFAA-UHFFFAOYSA-N,3,1,0.542,1,230,412.428,4.275,5,0.429,0.82,1.0,0.9389863614556919,0.8553646083201973,0.7801298745802207,0.7195874169008293,0.8235170653142347
EOS-3-36884,Cc1cccc(Cc2cnc(-c3cncc4nnc(-c5ccc(C(C)C)cc5)n34)cn2)n1,AJJCYGYIRUELQO-UHFFFAOYSA-N,3,1,0.425,52,357,421.508,4.666,5,0.41,0.76,1.0,0.20411555068192722,0.11658727983003221,0.5302669453772874,0.38880131587965183,0.3099427729422246
EOS-3-36885,Fc1cc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)ccc1-c1ccccc1,FKPSKNPPLVYVAZ-UHFFFAOYSA-N,3,1,0.382,93,757,445.461,5.116,6,0.375,0.75,1.0,0.34382496059214585,0.46406175039407854,0.6665153176615722,0.7433434994174491,0.5544363820163114
EOS-3-36886,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccc(Cl)cn5)nn4)n23)cc1,XKYXDGZIKFSGJA-UHFFFAOYSA-N,3,1,0.31,10,872,470.859,3.684,6,0.383,0.64,0.917,0.04669830717565623,0.25815571242546775,0.4504060722363101,0.604319443492564,0.3398948838324995
EOS-3-36887,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc5c(c4)OCO5)n23)nc1,ACIMYAVTFJFDDM-UHFFFAOYSA-N,3,1,0.366,32,179,474.484,4.045,7,0.377,0.7,1.0,0.1541618120759372,0.08860770337879514,0.5059540127475841,0.43273250633952437,0.2953640086354602
EOS-3-36888,CCn1cnc(-c2cccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)c2)c1,PFMGHKZNLWNZCW-UHFFFAOYSA-N,3,1,0.494,4,506,417.498,4.019,5,0.415,0.77,1.0,0.24509971900486602,0.2029761496813104,0.1659327667740388,0.11135288876704819,0.18134038105681585
EOS-3-36889,Cc1cccc(OCc2cncc3nnc(-c4ccc(-c5ccccn5)c(C#N)c4)n23)n1,QJEOPAOMWBIIDQ-UHFFFAOYSA-N,3,1,0.343,14,351,419.448,4.007,5,0.424,0.7,1.0,0.46699163868137894,0.4506887807552601,0.6348176958399013,0.5447536152422726,0.5243129326297032
EOS-3-36890,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1F,IABGFKARPHQFHQ-UHFFFAOYSA-N,3,1,0.516,26,911,449.877,4.441,5,0.381,0.65,1.0,0.5532777054348571,0.6407203070385854,0.7377321636625317,0.7382290453018985,0.6674898053594682
EOS-3-36891,Cc1ccc(F)c(-c2nccc(COc3cncc4nnc(-c5ccnn5C)n34)n2)n1,DGXGXIIDQVCZJW-UHFFFAOYSA-N,3,1,0.426,31,587,417.408,2.403,5,0.429,0.65,1.0,0.17585326571174012,0.17222088958947296,0.1067438832156809,0.08852203413062847,0.13583501816188062
EOS-3-36892,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)nc5)n34)nc2)n1C,MFLFOKYESCCMFM-UHFFFAOYSA-N,3,1,0.297,70,392,450.531,4.686,6,0.387,0.67,0.993,0.07930402302789391,0.08532657117401138,0.36596189431841547,0.327599204989377,0.21454792337742445
EOS-3-36894,N#Cc1ccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nc1,AHDSOQWJMVJIFH-UHFFFAOYSA-N,3,1,0.628,57,798,456.868,5.096,5,0.365,0.79,1.0,0.977254814611747,0.9843139606606812,0.959923925707628,0.9644986635597286,0.9714978411349462
EOS-3-36895,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)s1,GSJJHARJJFGSTF-UHFFFAOYSA-N,3,1,0.494,46,122,420.885,4.542,5,0.415,0.73,1.0,0.6038482626276471,0.6748852032074566,0.5334881091083544,0.5768624494551435,0.5972710060996504
EOS-3-36896,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(F)ccc5C)cc4)n23)c(Cl)c1,MIYQPQZWOHFZSV-UHFFFAOYSA-N,3,1,0.347,62,3,472.911,4.981,5,0.373,0.8,1.0,0.29355424576793915,0.40120622301418685,0.7996795970118566,0.7641696936467686,0.5646524398601878
EOS-3-36897,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)nc1,QCISEOQYMZHYPX-UHFFFAOYSA-N,3,1,0.552,35,361,413.416,3.404,5,0.421,0.72,1.0,0.902208553217737,0.780429716948804,0.5799122746898773,0.5738297580700432,0.7090950757316153
EOS-3-36898,CCn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)c2)cn1,JWBBDEJWPUMASZ-UHFFFAOYSA-N,3,1,0.378,53,182,468.403,2.853,5,0.37,0.6,1.0,0.27426153108080326,0.32902988143376055,0.5991535878281132,0.4038448358577205,0.40157245905009936
EOS-3-36899,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)s1,GLHIJGSXBXDAQA-UHFFFAOYSA-N,3,1,0.533,2,419,449.927,4.288,5,0.382,0.67,1.0,0.6584795421835378,0.6898173531629086,0.4322441916249743,0.43883215680899185,0.5548433109451031
EOS-3-36900,CCn1nc(-c2cc(F)cc(Cl)c2)nc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3C)n12,DCZOKVNWTLOLOM-UHFFFAOYSA-N,3,1,0.35,61,316,476.903,3.937,5,0.41,0.71,1.0,0.18454012747584128,0.32003461037625935,0.23763792748954835,0.3091032143101912,0.26282896991296006
EOS-3-36901,Clc1ccc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cccnc5)c4)n23)nn1,WPDJHUYHRGDLPU-UHFFFAOYSA-N,3,1,0.495,58,132,465.304,3.967,5,0.347,0.66,1.0,0.7163319854704955,0.8170618874648756,0.4397659516140086,0.5478034404770064,0.6302408162565966
EOS-3-36902,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)cn5)n4)n23)cc1,ZCJHJFABPYIXDM-UHFFFAOYSA-N,3,1,0.429,89,408,483.467,2.649,6,0.371,0.74,1.0,0.47459050099376326,0.22294565142896305,0.1320762798985676,0.14769378383935303,0.24432655404016176
EOS-3-36903,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)c(C)c(C)n1,LZUHMVUDVNNXTA-UHFFFAOYSA-N,3,1,0.389,53,237,432.419,3.275,5,0.386,0.64,0.986,0.6232780481118497,0.45534918785552736,0.2162548831471455,0.13573435679528476,0.35765411897745186
EOS-3-36904,Cn1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cnn2)n1C,BGEFQMMCBWRFDA-UHFFFAOYSA-N,3,1,0.398,53,105,422.84,1.948,5,0.422,0.63,0.74,0.4695274484271126,0.47275717908299636,0.03719758755397163,0.05895757658830786,0.2596099479130971
EOS-3-36905,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,QKRFRBJHCLHOJJ-UHFFFAOYSA-N,3,1,0.479,2,822,414.404,2.799,5,0.418,0.71,1.0,0.680188129668974,0.6508207113974368,0.34335377972722914,0.3531543417174971,0.5068792406277842
EOS-3-36906,Clc1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)nn5cccc45)n23)cc1,LKDRMTFZYTZUAO-UHFFFAOYSA-N,3,1,0.403,3,46,459.3,4.87,6,0.351,0.8,0.996,0.23428825988623123,0.5363580289219382,0.6142742101295319,0.7948307175656226,0.544937804125831
EOS-3-36907,COc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4ccnn4C)cc3F)n12,ISJNUJGWFUFFMH-UHFFFAOYSA-N,3,1,0.534,37,460,448.462,2.695,5,0.378,0.59,1.0,0.49426872729764926,0.5363665958467548,0.2554828318826674,0.1660869714207388,0.36305128161195255
EOS-3-36908,Cc1nnc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)s1,VQWVCBAQKRFZLE-UHFFFAOYSA-N,3,1,0.435,53,785,451.903,3.078,5,0.359,0.61,1.0,0.45988109108354464,0.4906020834761154,0.09413336988554588,0.13574292372010144,0.2950898670413268
EOS-3-36909,N#Cc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)n1,OCPPXXMDTFRDJX-UHFFFAOYSA-N,3,1,0.468,87,173,420.436,3.136,5,0.411,0.62,0.997,0.7614282777054349,0.6126207936399151,0.41744054554177235,0.38534884517853474,0.5442096155164142
EOS-3-36910,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,OKRYERSMJWPJFN-UHFFFAOYSA-N,3,1,0.489,11,503,446.873,4.662,5,0.377,0.67,0.998,0.8373654992803783,0.7762062230141868,0.7949249537386059,0.840569529161812,0.8122665512987458
EOS-3-36911,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnnn5C)ncc4F)n23)cn1,NZTWFRFFDRTRDO-UHFFFAOYSA-N,3,1,0.462,92,283,417.408,2.403,5,0.429,0.65,1.0,0.48197519018573093,0.46833664587759577,0.31025974916044136,0.25167055033925023,0.37806053389075456
EOS-3-36912,Cc1cccc(COc2cncc3nnc(-c4cc(F)cc(-c5ncccn5)c4)n23)n1,FLXKUSGVVDKQNP-UHFFFAOYSA-N,3,1,0.62,4,439,413.416,3.67,5,0.434,0.74,1.0,0.5455075046261394,0.5134586388869852,0.5169368103625522,0.4548094715920773,0.5076781063669386
EOS-3-36913,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cc2Cl)c[nH]1,IRTAMWPYODESEB-UHFFFAOYSA-N,3,1,0.5,37,490,462.876,3.47,5,0.399,0.72,1.0,0.7872147214036049,0.7762147899390035,0.6112672195188815,0.6311253512439174,0.7014555205263519
EOS-3-36914,Cc1csc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)n1,SDRHDLWMBHTYRQ-UHFFFAOYSA-N,3,1,0.433,46,157,419.445,3.731,5,0.401,0.74,1.0,0.4158813652251388,0.44185628126927556,0.3326451237063944,0.3182355561647591,0.377154581591392
EOS-3-36915,Cc1cnnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)n1,PHFVNRQTXRDCSF-UHFFFAOYSA-N,3,1,0.684,59,630,465.851,4.462,5,0.378,0.67,1.0,0.9145277911041053,0.8988160509903365,0.8531200740182304,0.8663559728599822,0.8832049722431636
EOS-3-36916,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)n5)n4)n23)cc1,PUYBPJMMTJOTEC-UHFFFAOYSA-N,3,1,0.31,98,973,454.885,3.488,6,0.375,0.6,1.0,0.048197519018573096,0.152491261736687,0.26984099787540267,0.33725412925776166,0.2019459769721061
EOS-3-36917,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nc5)n4)n23)cn1,PHLUNSYPTNEGCX-UHFFFAOYSA-N,3,1,0.484,27,69,466.839,4.208,5,0.343,0.72,0.999,0.7287882941539305,0.8584315674045645,0.7429665547255158,0.6948718388047427,0.7562645637721883
EOS-3-36918,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(Cl)c1,WGRJGOUOUNUTEP-UHFFFAOYSA-N,3,1,0.534,37,353,466.332,4.515,5,0.366,0.7,1.0,0.7787163319854705,0.7804382838736207,0.6203395928997327,0.6805136728120074,0.7150019703927079
EOS-3-36919,Cc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)c1F,OPYWRXHLUCDPJX-UHFFFAOYSA-N,3,1,0.545,75,263,446.421,3.246,5,0.392,0.57,1.0,0.8689003495305325,0.6946233979850592,0.457473785210061,0.4072202042354876,0.607054434240285
EOS-3-36920,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)nc5)n34)cc2)n(C)n1,LBUBLUSLTTZOTQ-UHFFFAOYSA-N,3,1,0.333,38,725,463.48,4.158,6,0.362,0.67,1.0,0.16778322253443903,0.23793776985813173,0.3997412788705366,0.3888098828044685,0.29856803851689395
EOS-3-36921,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)cn4)n23)cn1,FJKLUNAVRHDZFL-UHFFFAOYSA-N,3,1,0.537,4,744,413.416,3.67,5,0.406,0.8,1.0,0.6232866150366665,0.7185679528476459,0.6585480775820711,0.5738383249948599,0.6435602426153109
EOS-3-36922,Cc1ncn(C)c1-c1cc(-c2nnc3cncc(OCc4cc(Cl)cnn4)n23)ccc1F,WVHIIJJJEHZORN-UHFFFAOYSA-N,3,1,0.478,36,911,450.865,3.662,5,0.403,0.59,0.999,0.5195068878075526,0.6362398053594681,0.520012336371736,0.528005277225687,0.550941076691111
EOS-3-36923,Cc1cc(-c2nnc3cncc(OCc4ncc(F)cc4-c4cnn(C)n4)n23)ccc1Cl,DBJPQFBQZFYPEI-UHFFFAOYSA-N,3,1,0.467,36,677,450.865,3.662,5,0.403,0.59,0.934,0.48936844630251525,0.7092557055719279,0.5539544924953739,0.5706342951134261,0.5808032348708108
EOS-3-36924,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4F)n23)ccn1,ZEVAURSVFLFLFC-UHFFFAOYSA-N,3,1,0.605,35,352,436.447,4.21,5,0.371,0.69,1.0,0.8298009046672606,0.832088273593311,0.8054108697142074,0.7948392844904393,0.8155348331163046
EOS-3-36925,Cc1ccccc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc(=O)n1C,YVMCTTVSOKDPII-UHFFFAOYSA-N,3,1,0.635,79,824,455.493,4.226,5,0.383,0.67,0.997,0.5582465218285244,0.5315948187238709,0.7327376464944144,0.7087502570077445,0.6328323110136386
EOS-3-36926,CCCNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(C)nn5)n4)n23)cc1,YMKDTZPEEUQLQY-UHFFFAOYSA-N,3,1,0.446,89,398,481.52,3.066,5,0.355,0.75,1.0,0.2935628126927558,0.06770440682612569,0.05350901240490714,0.021468713590569528,0.10906123637858954
EOS-3-36927,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnn2)s1,CLWAZYGLYIZNEN-UHFFFAOYSA-N,3,1,0.49,65,778,434.46,3.169,5,0.401,0.59,1.0,0.6066667808923308,0.5982968953464465,0.2698495648002193,0.2577187992598177,0.43313301007470356
EOS-3-36928,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(F)nc(-c6cnnnc6)c5)n34)nc2)nc1,ALOZNCYHWSWGIE-UHFFFAOYSA-N,3,1,0.287,70,664,466.415,3.441,6,0.36,0.61,0.981,0.2798043314371873,0.3336988554588445,0.6318107052292509,0.6486532794188198,0.4734917928860256
EOS-3-36929,Cc1ccc(-c2nnc3cncc(CCc4nc(-c5ccc(Cl)nc5)no4)n23)c(Cl)c1,LUJAZCQHARTEGW-UHFFFAOYSA-N,3,1,0.384,14,81,452.305,4.637,5,0.359,0.75,1.0,0.35994791309711466,0.5363751627715715,0.3433623466520458,0.5378486738400384,0.44438352409019255
EOS-3-36930,Cc1cnc(-c2cnc(F)c(COc3cncc4nnc(-c5ccc(C)nn5)n34)n2)cn1,TWMSWDJQRJRLDL-UHFFFAOYSA-N,3,1,0.383,7,828,430.407,2.163,5,0.409,0.56,0.738,0.4795678843122473,0.4595983825645946,0.06500582550887533,0.053149201562607086,0.2643303234870811
EOS-3-36931,COc1nc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)ccc1-c1ncc(Cl)cn1,FUIMOCJPNDWELA-UHFFFAOYSA-N,3,1,0.389,7,896,461.873,2.983,5,0.372,0.59,0.999,0.5609793708450415,0.4772205469124803,0.11214961277499828,0.07979233774244397,0.30753546706874096
EOS-3-36932,Cc1cnc(C)n1-c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)nc1,FWIRQAJNUIGAPN-UHFFFAOYSA-N,3,1,0.369,52,9,482.523,3.611,6,0.397,0.73,1.0,0.12384346514974985,0.16413371256253856,0.1854139538071414,0.19355253238297582,0.1667359159756014
EOS-3-36933,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cn2)cn1,BQHPLENPCRPUKI-UHFFFAOYSA-N,3,1,0.483,59,468,451.412,4.066,5,0.362,0.68,1.0,0.540204578164622,0.5641919676512919,0.8560328284558975,0.8013587142759235,0.6904470221369337
EOS-3-36934,Fc1cc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)ncn4)n23)ccc1Cl,UPQVNZJBVCPWEF-UHFFFAOYSA-N,3,1,0.534,59,675,451.824,4.154,5,0.371,0.66,1.0,0.9053012130765541,0.9581762730450277,0.8621496127749982,0.8712648207799328,0.8992229799191283
EOS-3-36935,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CCC5(F)F)cc4)n23)cc1,XJWZBHVITZTKAH-UHFFFAOYSA-N,3,1,0.361,61,269,472.459,3.693,6,0.371,0.71,1.0,0.22611541361113016,0.20770509218011102,0.3179100130217257,0.3979250908094031,0.2874139024055925
EOS-3-36936,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccn1,VUYWXSIGSFIXHC-UHFFFAOYSA-N,3,1,0.512,59,89,450.836,4.759,5,0.359,0.72,1.0,0.9226064012062231,0.8672040984168323,0.9245767939140566,0.9317387430607909,0.9115315091494758
EOS-3-36937,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccncn5)n34)c2)ccn1,UTTGGTGEEJRBAD-UHFFFAOYSA-N,3,1,0.433,18,367,414.404,2.799,5,0.391,0.75,1.0,0.5638835583578918,0.4860102117743815,0.417449112466589,0.40094064834487014,0.4670708827359331
EOS-3-36938,Fc1cncnc1COc1cncc2nnc(-c3cccc(-c4ncccc4F)c3)n12,UOVBVDTYNKWBDU-UHFFFAOYSA-N,3,1,0.484,4,71,417.379,3.501,5,0.432,0.67,1.0,0.7132907271605784,0.617469673086149,0.6719981495442396,0.680522239736824,0.6708201973819478
EOS-3-36939,Clc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(Br)cc5)n34)s2)no1,KDHIPRWPHXSNNI-UHFFFAOYSA-N,3,1,0.492,22,140,459.716,4.986,5,0.378,0.78,1.0,0.3216880268658762,0.5642005345761085,0.42839764238229044,0.5833733123158111,0.47441487903502155
EOS-3-36940,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnc(C)s5)n34)cn(C)c2=O)cn1,ARYSSESNSZWSFX-UHFFFAOYSA-N,3,1,0.455,65,349,460.523,2.642,5,0.38,0.61,1.0,0.19569426358714276,0.024192995682269892,0.07352134877664314,0.0452162291823727,0.08465620930710713
EOS-3-36941,COc1ncc(-c2nnc3cncc(OCCc4cncnc4C)n23)cc1-c1ccccn1,MCKICMAQWHMZMI-UHFFFAOYSA-N,3,1,0.457,65,657,440.467,2.977,5,0.377,0.61,1.0,0.45988965800836135,0.24841511890891646,0.1563806456034542,0.09047529298882873,0.23879017887739018
EOS-3-36942,CCCOc1ncccc1-c1cncc2nnc(-c3ccc(C(N)=O)c(-c4nc(C)cs4)c3)n12,YLZBFPBNZZNLJC-UHFFFAOYSA-N,3,1,0.324,52,582,471.546,4.173,5,0.378,0.73,1.0,0.18190151463230758,0.07501199369474333,0.11215817969981495,0.05595915290247413,0.10625771023233499
EOS-3-36943,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cnn2)cn1,OBJFFHFSCXUQHL-UHFFFAOYSA-N,3,1,0.424,7,535,432.835,2.369,5,0.408,0.54,0.999,0.42535638407237336,0.5089695702830512,0.15032382975807004,0.1554725515728874,0.3100305839215955
EOS-3-36944,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,WMSOMYBNACTLRF-UHFFFAOYSA-N,3,1,0.5,16,79,436.838,3.353,5,0.39,0.58,1.0,0.5428517579329724,0.4906106504009321,0.6412257556027688,0.6400178192036187,0.578676495785073
EOS-3-36945,Cc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3c(Cl)cncc3Cl)n12,HBHWKGKWPZFHCS-UHFFFAOYSA-N,3,1,0.46,55,980,465.304,4.233,5,0.38,0.67,0.991,0.713299294085395,0.6652645466383387,0.530275512302104,0.6013124528819135,0.6275379514769378
EOS-3-36946,Cn1nccc1-c1ncccc1COc1cncc2nnc(-c3ccc(-c4ccccc4)nn3)n12,NNXVHRWBURZQRB-UHFFFAOYSA-N,3,1,0.415,81,218,461.489,3.623,6,0.37,0.64,1.0,0.37136762387773287,0.15249982866150366,0.22696353916798026,0.22498457953533,0.2439538928106367
EOS-3-36947,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)cn1,OTKZKDQVFCFAHA-UHFFFAOYSA-N,3,1,0.3,42,369,466.896,3.759,6,0.386,0.64,1.0,0.20687410047289426,0.21751422109519566,0.43587656774724143,0.4856332670824481,0.33647453909944486
EOS-3-36948,Fc1cc(-c2nnc3cncc(OCc4ccncc4-c4ccccc4)n23)ccc1Cl,NEYGLZYFNXGVLA-UHFFFAOYSA-N,3,1,0.59,57,962,431.858,5.225,5,0.381,0.8,1.0,0.9764923583030636,0.9739565485573298,0.9383952436433418,0.9488468919196765,0.959422760605853
EOS-3-36949,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5nc(Cl)ncc5F)n34)c(F)c2)n[nH]1,YHVSBNUPFAXBDP-UHFFFAOYSA-N,3,1,0.463,47,164,469.843,3.228,5,0.376,0.68,1.0,0.819631964909876,0.8389675142210952,0.3512096497841135,0.39481529710095264,0.6011561065040093
EOS-3-36950,Cc1cccc(-c2ccc(Oc3cncc4nnc(-c5cnc(Cl)cc5C)n34)nc2)n1,DBRXRMZBULNJQS-UHFFFAOYSA-N,3,1,0.356,13,412,429.871,4.706,5,0.382,0.74,1.0,0.598048454526763,0.6997207182509766,0.557072853128641,0.5011308340758002,0.5889932149955452
EOS-3-36951,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc(C)nn5C)cc4F)n23)ccn1,SOLVMYXQOAJZIR-UHFFFAOYSA-N,3,1,0.57,15,684,443.486,3.964,5,0.395,0.64,1.0,0.6405489685422521,0.6219073401411829,0.5402988143376054,0.42009629223493933,0.5557128538139949
EOS-3-36952,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)cs1,ABNCHJRWCQXMIW-UHFFFAOYSA-N,3,1,0.408,85,290,435.463,4.542,5,0.403,0.68,0.962,0.187435748063875,0.3246950174765266,0.6412343225275855,0.5447621821670893,0.4245318175587691
EOS-3-36953,FC(F)c1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnn5)nc4)n23)nc1,WESHKCODTBXVLS-UHFFFAOYSA-N,3,1,0.309,85,976,418.371,2.357,5,0.423,0.58,0.829,0.25845555479405113,0.19378383935302584,0.3777414159413337,0.37578815708313346,0.30144224179288603
EOS-3-36954,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)cn2)cn1,YONWMGVRTWTPTA-UHFFFAOYSA-N,3,1,0.471,55,282,436.888,3.641,5,0.411,0.63,1.0,0.57494345829621,0.6604756356658213,0.2485607566307998,0.24558803371941607,0.43239197107806177
EOS-3-36955,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)s1,AAEIPTJFOWRYBQ-UHFFFAOYSA-N,3,1,0.558,35,429,450.474,4.518,5,0.379,0.66,1.0,0.740507847303132,0.7092642724967446,0.7091529024741279,0.6834949626482077,0.7106049962305531
EOS-3-36956,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)s1,VJUZOCCVDVKFMX-UHFFFAOYSA-N,3,1,0.439,18,840,433.472,3.774,5,0.377,0.64,1.0,0.6232951819614831,0.5179734082653691,0.39606606812418615,0.3372626961825783,0.4686493386334042
EOS-3-36957,Clc1cc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)sn1,MKBGWWITRQBNJH-UHFFFAOYSA-N,3,1,0.46,46,181,421.873,3.937,5,0.424,0.68,1.0,0.4843739291343979,0.4596069494894113,0.310268316085258,0.3791806593105339,0.4083574635049003
EOS-3-36958,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4F)n23)n1,GEVZPUYPUFUWIS-UHFFFAOYSA-N,3,1,0.523,4,92,415.432,3.613,5,0.436,0.72,1.0,0.5169882119114523,0.5134672058118018,0.5769652525529436,0.4735196353916798,0.5202350764169694
EOS-3-36959,Cn1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccno6)c(F)c5)n34)c2)n1,FYYONDLJLRXXCF-UHFFFAOYSA-N,3,1,0.338,42,106,438.426,4.048,6,0.409,0.58,1.0,0.1957028305119594,0.2737132478925365,0.6802566650675074,0.6515489000068535,0.4503054108697142
EOS-3-36960,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)s1,OXAUSACLHJCTPT-UHFFFAOYSA-N,3,1,0.324,38,126,435.516,4.982,6,0.39,0.73,1.0,0.14874751559180316,0.11991124665889932,0.4211500239873895,0.43595367007059144,0.28144061407717086
EOS-3-36961,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccc(F)n6)cn5)n34)cc2)n1C,PGMZTEVIBXHOFU-UHFFFAOYSA-N,3,1,0.351,38,167,463.48,4.158,6,0.362,0.68,1.0,0.2908556644506888,0.30453704338290727,0.45404701528339386,0.4168665615790556,0.3665765711740114
EOS-3-36962,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,OQIKAPABOJQJSH-UHFFFAOYSA-N,3,1,0.628,35,393,413.416,3.404,5,0.421,0.73,1.0,0.9239856761017066,0.9253049825234734,0.5635408813652252,0.5280138441505038,0.7352113460352272
EOS-3-36963,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)ncn2)nc1,NOHUPJJRTOBMIF-UHFFFAOYSA-N,3,1,0.562,46,842,452.812,3.549,5,0.399,0.55,0.727,0.8712819546295661,0.7549602494688507,0.6991553012130766,0.7461534507573162,0.7678877390172023
EOS-3-36964,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)ccc1Cl,BZGTYYFILJCYDB-UHFFFAOYSA-N,3,1,0.558,36,51,468.855,4.152,5,0.369,0.67,0.997,0.7163405523953121,0.8523661846343636,0.792757521759989,0.7511565348502501,0.7781551984099787
EOS-3-36965,Clc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)ccn1,VDETWLZSXRPUHB-UHFFFAOYSA-N,3,1,0.5,35,76,429.871,3.918,5,0.378,0.64,1.0,0.7843362346652045,0.7804468507984373,0.579920841614694,0.6013210198067301,0.6865062367212664
EOS-3-36966,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4ncc(Cl)nc4Cl)n23)c1,DGFYERUVCXEZRU-UHFFFAOYSA-N,3,1,0.482,20,921,467.32,3.91,5,0.374,0.64,1.0,0.5924628195462956,0.5891045850181619,0.2959272839421561,0.3948238640257693,0.4680796381330957
EOS-3-36967,Cc1cc(-c2ccc(COc3cncc4nnc(-c5cncc(F)c5)n34)cn2)n(C)n1,IPERWFNHYPJNTE-UHFFFAOYSA-N,3,1,0.5,55,283,416.42,3.008,5,0.435,0.69,1.0,0.5249468850661366,0.4242341169213899,0.37774998286615036,0.3091117812350079,0.4090106915221712
EOS-3-36968,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)cc(Cl)n2)nn1,SQPXASYGFPYNKB-UHFFFAOYSA-N,3,1,0.467,58,361,445.874,3.017,5,0.363,0.58,0.558,0.6801966965937907,0.7370982112260983,0.23425399218696458,0.24559660064423275,0.4742863751627716
EOS-3-36969,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ccccc5)nn4)n23)c(Cl)c1,NFPMKAJGNNDPOY-UHFFFAOYSA-N,3,1,0.381,14,886,426.911,4.995,5,0.395,0.73,1.0,0.3242923720101432,0.5089781372078679,0.526797340826537,0.6515574669316702,0.5029063292440545
EOS-3-36970,Cc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(C)n5)n34)cn2)n1,LVJIYJKBZKQIKE-UHFFFAOYSA-N,3,1,0.38,7,85,414.404,3.587,5,0.439,0.7,1.0,0.7073367144129943,0.6652731135631553,0.377758549790967,0.2871975875539716,0.5093914913302721
EOS-3-36971,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)nc1,IYFIACSSGDNXAA-UHFFFAOYSA-N,3,1,0.456,2,422,435.369,3.64,5,0.389,0.61,1.0,0.839772805153862,0.7847303132067713,0.8760194640531834,0.8547906243574807,0.8388283016928244
EOS-3-36973,Cc1cnc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(F)c(C)c5F)c4)n23)cn1,KHOHZUIGDIHVQC-UHFFFAOYSA-N,3,1,0.469,20,778,460.448,3.555,5,0.379,0.6,0.976,0.6831351518059078,0.6174782400109656,0.5435799465423892,0.48564183400726474,0.5824587930916318
EOS-3-36974,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)c(C)n1,DRUVMVIWYIIWNN-UHFFFAOYSA-N,3,1,0.505,11,796,457.925,4.535,5,0.369,0.69,1.0,0.8323367144129943,0.8286358028921939,0.30661023918854086,0.35316290864231376,0.5801864162840107
EOS-3-36975,Cc1nn(C)cc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,HOAGOOPPOJBTIT-UHFFFAOYSA-N,3,1,0.514,13,412,417.86,4.341,5,0.432,0.79,1.0,0.5195154547323693,0.694631964909876,0.5991621547529299,0.5674302652319924,0.5951849599067919
EOS-3-36976,c1cncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)[nH]2)c1,DBQPTVAVCCUSLB-UHFFFAOYSA-N,3,1,0.274,70,407,423.465,3.762,6,0.459,0.62,0.93,0.039476389555205264,0.07836166129806045,0.24133883901034883,0.31210163799602497,0.16781963196490987
EOS-3-36977,Fc1cnccc1-c1nccnc1-c1nnc2cncc(-c3ncn(-c4cccnc4)n3)n12,CZATVXSWEXIWNZ-UHFFFAOYSA-N,3,1,0.253,86,953,437.402,2.425,6,0.409,0.51,0.438,0.01911280926598588,0.07502056061956,0.12921492700980056,0.19356109930779247,0.10422734905078473
EOS-3-36978,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(C)n2)s1,ZQOSVSCWCXTYAI-UHFFFAOYSA-N,3,1,0.427,51,196,450.915,3.949,5,0.396,0.64,1.0,0.5195240216571859,0.6311167843191008,0.12625933794805017,0.1273130697005003,0.35105330340620927
EOS-3-36979,Cc1nc(-c2ccc(CO)o2)cc(-c2nnc3cncc(OCc4cnc(C#N)cc4F)n23)n1,NQTVNEBIJOROMR-UHFFFAOYSA-N,3,1,0.376,31,330,458.413,2.627,5,0.402,0.58,1.0,0.7816119525735042,0.5734699472277431,0.5096891919676513,0.4072287711603043,0.5679999657323008
EOS-3-36980,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)nn1,IPRGGVINMGOHLI-UHFFFAOYSA-N,3,1,0.313,99,502,451.454,2.57,6,0.388,0.57,1.0,0.25558563498046744,0.13377253101226783,0.09643787266122952,0.0634209444177918,0.13730424576793915
EOS-3-36981,CCc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)cs1,BUJGLZQQIWTZMI-UHFFFAOYSA-N,3,1,0.479,58,579,464.942,3.937,5,0.356,0.73,0.994,0.5195325885820026,0.7324035364265643,0.08219107669111096,0.10896271674319787,0.3607724796107189
EOS-3-36982,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cnc(F)nc1,GPNZCTMFPONXMU-UHFFFAOYSA-N,3,1,0.448,87,367,462.876,3.761,5,0.351,0.66,0.966,0.7757864436981701,0.7762233568638202,0.46808820505791243,0.4580306353231444,0.6195321602357617
EOS-3-36983,Cc1ccc(Oc2cncc3nnc(-c4ccc(-c5sc(C)nc5C)cc4F)n23)nn1,INOIMIUWSKFYNL-UHFFFAOYSA-N,3,1,0.378,4,706,433.472,4.561,5,0.41,0.69,1.0,0.6346634911932013,0.6126293605647317,0.30311493386334043,0.23712391200054828,0.4468829244054554
EOS-3-36984,Clc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)cn1,RUGOVNUGFPOEAT-UHFFFAOYSA-N,3,1,0.517,72,111,464.316,4.572,5,0.34,0.72,1.0,0.8689089164553492,0.937821259680625,0.6555410869714208,0.7408419573709821,0.8007783051195942
EOS-3-36985,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cn1,PNLLKAFCBCFZFO-UHFFFAOYSA-N,3,1,0.505,65,578,430.447,3.225,5,0.366,0.63,1.0,0.6464087451168529,0.5316033856486876,0.28871393324652184,0.24290658625179906,0.42740816256596537
EOS-3-36986,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n(C)c1C,WDTQARTXQYXBRK-UHFFFAOYSA-N,3,1,0.558,15,921,459.941,4.479,5,0.372,0.71,1.0,0.545516071550956,0.5316119525735042,0.32876430676444385,0.32131108217394283,0.43180085326571177
EOS-3-36987,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nc(C)c(F)[nH]5)nc4)n23)cn1,RLQVNAWITONYDH-UHFFFAOYSA-N,3,1,0.484,20,579,431.435,2.744,5,0.436,0.61,1.0,0.4968388047426496,0.55041635254609,0.13836440271400177,0.10039579192653006,0.3215038379823179
EOS-3-36989,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc2F)nn1,MCDIPPDLJIYAMY-UHFFFAOYSA-N,3,1,0.441,31,773,451.853,2.791,5,0.362,0.63,1.0,0.5195411555068192,0.5000856692481667,0.33605475978342814,0.37272119799876635,0.43210069563429504
EOS-3-36990,CCCn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,ROLSUEFTLRBDJD-UHFFFAOYSA-N,3,1,0.534,4,32,445.914,4.692,5,0.361,0.72,1.0,0.5300784730313207,0.6748937701322734,0.4782057432663971,0.4885545884449318,0.5429331437187308
EOS-3-36991,COc1ncc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1ccncc1,YYNSUAXHCAXBNW-UHFFFAOYSA-N,3,1,0.473,87,657,443.442,3.413,5,0.353,0.66,1.0,0.6980159002124597,0.6078661503666644,0.45748235213487765,0.3596138030292646,0.5307445514358166
EOS-3-36992,Cn1cc(F)cc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c1=O,RIRGGRRHMPRKRR-UHFFFAOYSA-N,3,1,0.469,2,419,477.887,3.361,5,0.369,0.71,1.0,0.569734768007676,0.4377270235076417,0.6412428894524022,0.6716469056267562,0.580087896648619
EOS-3-36993,CCn1cc(-c2cnnc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cn1,WKTBKMDCLXFNBO-UHFFFAOYSA-N,3,1,0.385,92,182,451.853,3.231,5,0.362,0.62,1.0,0.385263175930368,0.31466314851620864,0.4540555822082105,0.4421475567130423,0.39903236584195734
EOS-3-36994,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)cn1,MYPFKDQXUSFICE-UHFFFAOYSA-N,3,1,0.396,54,511,418.367,2.896,5,0.402,0.65,1.0,0.652414159413337,0.4955537660201494,0.6054674114179974,0.6043280104173806,0.5894408368172162
EOS-3-36995,Clc1cncc(CCOc2cncc3nnc(-c4cc(Cl)c(-c5ccncn5)cn4)n23)c1,ONEVCNNWTDOXFX-UHFFFAOYSA-N,3,1,0.432,18,773,465.304,3.967,5,0.371,0.61,1.0,0.7757950106229867,0.723125556850113,0.5799294085395107,0.6657699952025221,0.6861549928037831
EOS-3-36996,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nnc(C6CC6)o5)nc4)n23)n1,XIGHZJJXXQWQTI-UHFFFAOYSA-N,3,1,0.441,58,579,461.873,3.179,6,0.333,0.7,0.999,0.5480261805222397,0.607874717291481,0.01352717428551847,0.043871221986155846,0.30332482352134876
EOS-3-36997,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cs1,XWGCDUPEEVPIEL-UHFFFAOYSA-N,3,1,0.542,75,583,449.927,4.288,5,0.357,0.73,1.0,0.755594201905284,0.7231341237749298,0.3777671167157837,0.3757967240079501,0.5580730416009869
EOS-3-36998,Fc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1nnco1,HNZOARVDIIIOMY-UHFFFAOYSA-N,3,1,0.407,46,565,424.783,3.003,5,0.392,0.63,1.0,0.7225944075114796,0.6078832842162977,0.45041463916112673,0.4793280104173806,0.5650550853265712
EOS-3-36999,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1C,OOCXPRFWTCPTOD-UHFFFAOYSA-N,3,1,0.309,62,246,409.453,3.312,5,0.492,0.77,0.999,0.01736515660338565,0.021845658282502914,0.385006168185868,0.29043588513467206,0.17866321705160715
EOS-3-37000,FC(F)c1ccc(-c2cnnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cn1,MDQRAGZXPBVJSJ-UHFFFAOYSA-N,3,1,0.379,51,924,467.827,3.603,5,0.369,0.61,1.0,0.542860324857789,0.5841529024741279,0.6142827770543485,0.5954698101569461,0.5841914536358028
EOS-3-37001,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ncn2)ccn1,UXMCLXPPDLEVCV-UHFFFAOYSA-N,3,1,0.511,59,675,451.824,4.154,5,0.371,0.67,1.0,0.9084709752587211,0.9601038311287781,0.8835497909670345,0.8867709546981015,0.9097238880131588
EOS-3-37002,Fc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cc(F)cnn5)c4)n23)c1,WAUDOLMSXUKDPT-UHFFFAOYSA-N,3,1,0.484,2,142,432.394,2.938,5,0.403,0.55,1.0,0.7526386128435337,0.680008224247824,0.6054759783428141,0.6106161332328147,0.6621847371667466
EOS-3-37003,O=C(NC1CCOC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cc4)n23)nc1,LSQKTFCVYIUURM-UHFFFAOYSA-N,3,1,0.324,52,916,478.516,2.753,6,0.396,0.62,1.0,0.11315194297854841,0.006151052018367487,0.12922349393461724,0.15026386128435337,0.09969758755397162
EOS-3-37004,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ncccc5F)c4)n23)ccn1,YZEUZKFSVCRIMF-UHFFFAOYSA-N,3,1,0.576,88,595,448.408,4.287,5,0.361,0.66,1.0,0.9693475430059626,0.9650897813720787,0.8940614077170859,0.889443835240902,0.9294856418340074
EOS-3-37005,Fc1cncc(-c2cnc(F)cc2-c2nnc3cncc(-c4cnc(-c5ccncc5)nc4)n23)c1,NAXVWVQHVDGKCW-UHFFFAOYSA-N,3,1,0.368,42,989,465.427,4.046,6,0.359,0.69,1.0,0.36920875882393256,0.41046706874100475,0.7143530258378452,0.7247961071893633,0.5547062401480365
EOS-3-37006,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)c2)nc1,YDYOTKIPGNBXKY-UHFFFAOYSA-N,3,1,0.436,65,65,449.837,2.847,5,0.36,0.58,1.0,0.7643924336920019,0.7139161126721952,0.2887225001713385,0.372729764923583,0.5349402028647796
EOS-3-37007,Fc1cc(-c2ccccc2)cc(-c2nnc3cncc(OCCc4ncccn4)n23)c1,FSBPZFIHFBOPIN-UHFFFAOYSA-N,3,1,0.588,11,700,412.428,4.009,5,0.419,0.8,1.0,0.8323452813378109,0.8320968405181276,0.5601912137619081,0.6166472483037488,0.7103201459803987
EOS-3-37008,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)cn1,QDVPQVMOQDRTME-UHFFFAOYSA-N,3,1,0.421,65,466,429.419,2.502,5,0.375,0.59,0.994,0.614993831814132,0.5089867041326845,0.26627715715166883,0.23402268521691455,0.40607009457885
EOS-3-37009,CCOc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5nnco5)c4)n23)cn1,FVZVJZCNUSHTHO-UHFFFAOYSA-N,3,1,0.457,4,212,450.846,3.262,5,0.364,0.64,1.0,0.5609879377698581,0.784738880131588,0.28141491330272084,0.2456051675690494,0.4681867246933041
EOS-3-37010,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)cnn4)n23)n(C)n1,OSNVBKWVFRLRDZ-UHFFFAOYSA-N,3,1,0.368,53,182,417.408,2.403,5,0.401,0.69,0.951,0.29086423137550543,0.3146717154410253,0.23764649441436503,0.2017767802069769,0.26123980535946817
EOS-3-37011,O=C(O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnc5)cn4)n23)cc1,RIRSMSMXJISFGK-UHFFFAOYSA-N,3,1,0.466,41,412,410.393,3.739,5,0.466,0.84,1.0,0.459898224933178,0.08533513809882805,0.5671389897882256,0.4038534027825372,0.37905643890069224
EOS-3-37012,COc1cnc(-c2cc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)ccn2)nc1,ASAVMJNITJKYIG-UHFFFAOYSA-N,3,1,0.524,65,359,443.471,2.315,5,0.373,0.58,1.0,0.23142690699746418,0.09766294291001303,0.06931498869165924,0.03132067712973751,0.10743137893221849
EOS-3-37013,Cc1nn(C)c(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)ncn2)c1F,KQTCEYITYLOUKS-UHFFFAOYSA-N,3,1,0.517,4,633,434.41,3.147,5,0.419,0.58,1.0,0.427712288396957,0.5179819751901857,0.34728599821807965,0.3562641354259475,0.4123110993077925
EOS-3-37014,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)nc1Cl,ROQGXAKJHRFABG-UHFFFAOYSA-N,3,1,0.495,11,215,447.861,4.057,5,0.362,0.65,1.0,0.8298094715920773,0.8643941470769653,0.7197587553971626,0.7408505242957988,0.788703224590501
EOS-3-37015,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(C)nn5)nc4F)n23)nc1,VYQCMPIPQZVTGT-UHFFFAOYSA-N,3,1,0.424,53,617,429.419,2.768,5,0.389,0.59,1.0,0.5582550887533411,0.5938249605921458,0.14417277773970255,0.11382873003906517,0.3525203892810637
EOS-3-37016,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(F)c5)n4)n23)cn1,HUTHTGSIRFALPW-UHFFFAOYSA-N,3,1,0.451,7,85,414.404,3.065,5,0.404,0.73,1.0,0.5864659721746281,0.6362483722842849,0.4468336645877596,0.37918922623535056,0.5121843088205058
EOS-3-37017,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)n5)cc4F)n23)cc1,WEUSUMROWMFJGO-UHFFFAOYSA-N,3,1,0.53,89,250,416.42,3.008,5,0.435,0.64,0.998,0.6951545473236926,0.5089952710575012,0.45406414913302723,0.3853574121033514,0.5108928449043931
EOS-3-37018,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(F)cn2)cc1,ZKJQBFGEGCVNBK-UHFFFAOYSA-N,3,1,0.645,57,709,456.868,5.096,5,0.365,0.78,1.0,0.9874323212939483,0.9864556918648482,0.9567370296758275,0.962014255362895,0.9731598245493798
EOS-3-37019,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1F,XKNNHWFKOMEIPK-UHFFFAOYSA-N,3,1,0.505,26,125,463.904,4.484,5,0.354,0.7,1.0,0.7758035775478035,0.7276574600781304,0.6614779658693716,0.6629943115619217,0.7069833287643068
EOS-3-37020,Cc1nc(-c2nc(C)c(F)[nH]2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,DVLZNKCVPIWBPY-UHFFFAOYSA-N,3,1,0.512,58,393,430.447,3.349,5,0.44,0.64,1.0,0.5556593105338907,0.5734785141525598,0.262661914879035,0.20773079295456104,0.39988263313001166
EOS-3-37021,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4Cl)n23)ccn1,JMVKWJFUUVUACH-UHFFFAOYSA-N,3,1,0.517,65,359,467.32,3.91,5,0.374,0.63,1.0,0.7009286546501268,0.5598913713933247,0.5025101089712837,0.5641405661023919,0.5818676752792817
EOS-3-37022,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)nn1,HBUVYZRMXDCHIT-UHFFFAOYSA-N,3,1,0.247,86,421,454.845,2.334,6,0.39,0.54,0.695,0.01153108080323487,0.10095264203961346,0.08485539030909464,0.14287060516756905,0.085052429579878
EOS-3-37023,N=c1nc(-c2cccnc2)cc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)[nH]1,SIPOOJQLGKRZIN-UHFFFAOYSA-N,3,1,0.459,87,307,429.419,2.211,5,0.423,0.66,1.0,0.457627989856761,0.3045456103077239,0.29593585086697277,0.26677403879103556,0.3312208724556233
EOS-3-37024,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncc4Cl)n23)c(F)n1,DEAHGLOWPRXMHP-UHFFFAOYSA-N,3,1,0.452,55,817,448.849,3.718,5,0.375,0.62,1.0,0.8093002535809746,0.8286443698170105,0.6471712014255363,0.622472757179083,0.7268971455006511
EOS-3-37025,CCc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncs5)c4)n23)n1,KMFDPNLZDTYIHD-UHFFFAOYSA-N,3,1,0.542,20,846,447.499,4.028,5,0.372,0.68,1.0,0.770115139469536,0.7969467479953396,0.3102768830100747,0.30912034815982453,0.5466147796586938
EOS-3-37026,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsn6)s5)n34)cn2)n1,XGFYMUWOGCEXDO-UHFFFAOYSA-N,3,1,0.296,76,968,443.521,3.834,6,0.408,0.59,1.0,0.049782400109656635,0.10096120896443013,0.14418134466451923,0.15548111849770407,0.11260151805907752
EOS-3-37027,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)c(F)c4)n23)c1,FXZUKOKMTXFJQQ-UHFFFAOYSA-N,3,1,0.696,88,222,447.42,4.892,5,0.347,0.76,1.0,0.9775803577547804,0.9779401685970804,0.9578421629771777,0.957293879788911,0.9676641422794874
EOS-3-37028,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cc(F)nc(C#N)n5)n34)c(Cl)c2)n1,OBZDMMKUWXUNPY-UHFFFAOYSA-N,3,1,0.447,4,677,463.82,3.183,5,0.356,0.7,1.0,0.5953498732095127,0.7185765197724625,0.3738605989993832,0.3791977931601672,0.5167461962853814
EOS-3-37029,Cn1nnnc1-c1cnc(F)c(COc2cncc3nnc(-c4ccc(Cl)c(CF)c4)n23)c1,RSGGEIQJIWDWOA-UHFFFAOYSA-N,3,1,0.5,36,728,469.843,3.218,5,0.349,0.68,1.0,0.634672058118018,0.7804554177232541,0.5369662805839216,0.5893530258378452,0.6353616955657597
EOS-3-37030,c1cnnc(-c2cccc(COc3cncc4nnc(-c5cncc(-c6cnccn6)c5)n34)n2)c1,BJBMJBSASBDMLK-UHFFFAOYSA-N,3,1,0.432,6,277,460.461,3.074,6,0.365,0.59,1.0,0.3553046398464807,0.28413919539442123,0.2662857240764855,0.2340312521417312,0.28494020286477967
EOS-3-37031,FC(F)c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)nc1,ZRAMQSRUHMVEGH-UHFFFAOYSA-N,3,1,0.265,70,892,470.403,3.693,6,0.367,0.65,0.373,0.3013158796518402,0.3290384483585772,0.5403073812624221,0.5147865122335686,0.42136205537660204
EOS-3-37032,CCn1c(C)nc(-c2ccc(C)cn2)c1-c1cncc2nnc(-c3ccc(Cl)nc3)n12,BVDBJAKBRDVXOB-UHFFFAOYSA-N,3,1,0.318,50,155,430.903,4.402,5,0.393,0.69,0.321,0.19037420327599205,0.2841477623192379,0.14709409910218627,0.21084058666301145,0.20811416284010692
EOS-3-37033,Cc1cccc(COc2cncc3nnc(-c4cncc(-c5csc(C)n5)c4)n23)n1,LBOMABFKUSOJTA-UHFFFAOYSA-N,3,1,0.471,4,464,415.482,3.901,5,0.43,0.78,1.0,0.3243009389349599,0.2687872661229525,0.25221883352751695,0.17150126790487286,0.25420207662257555
EOS-3-37034,N#Cc1ccnc(-c2ccc(Oc3cncc4nnc(-c5cc(Cl)c(F)cc5F)n34)nc2)c1,QCEXUYHIHUSHDX-UHFFFAOYSA-N,3,1,0.364,13,412,461.819,4.844,5,0.353,0.76,1.0,0.8753769446919334,0.927121170584607,0.9551178808854773,0.9540127475841272,0.9279071859365362
EOS-3-37035,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1Cl,SZVGLXJMOYZVAW-UHFFFAOYSA-N,3,1,0.573,4,71,452.305,4.473,5,0.391,0.65,1.0,0.5697433349324926,0.6262679048728669,0.7847131793571379,0.8145003769446919,0.6988061990267973
EOS-3-37036,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)c(F)c1,PBGRBMXZLJICOZ-UHFFFAOYSA-N,3,1,0.33,10,681,472.875,3.627,6,0.386,0.64,1.0,0.03784010691522171,0.3096086628743746,0.3997498457953533,0.534841683229388,0.3205100747035844
EOS-3-37037,Cc1nn(C)cc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)n1,IMXPKVDPAALFRA-UHFFFAOYSA-N,3,1,0.406,6,297,476.504,3.326,6,0.356,0.71,1.0,0.31699335206634227,0.2077136591049277,0.1292320608594339,0.0904838599136454,0.18610573298608732
EOS-3-37038,Cc1nc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)n5)o4)n23)ccc1Cl,LOMUWALSSNDJEM-UHFFFAOYSA-N,3,1,0.43,46,122,437.822,3.916,5,0.381,0.64,1.0,0.7009372215749434,0.737106778150915,0.42493660475635664,0.45481803851689395,0.5794496607497773
EOS-3-37039,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnn(C)n5)ncn4)n23)cn1,JHZRPWWGWGWMTM-UHFFFAOYSA-N,3,1,0.311,50,974,414.393,0.193,5,0.431,0.68,0.998,0.09310533890754574,0.037874374614488386,0.00762456308683435,0.002107463504900281,0.035177935028442193
EOS-3-37040,COc1ccc(-c2cc(COc3cncc4nnc(-c5cnc(F)nc5)n34)c(Cl)cn2)nc1,QUWLLQSCSUUIKI-UHFFFAOYSA-N,3,1,0.441,55,434,464.848,3.418,5,0.349,0.65,0.999,0.8488708793091632,0.8459067233225961,0.6083544650812145,0.5245014049756699,0.7069083681721609
EOS-3-37042,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5ccc(Cl)cn5)n4)n23)cc1,SXTWZWDSBDIPKZ-UHFFFAOYSA-N,3,1,0.289,10,356,471.847,3.079,6,0.381,0.6,0.718,0.02995853608388733,0.17670139126859022,0.1988211911452265,0.38536597902816805,0.19771177438146803
EOS-3-37043,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)n1,YTIXZPLMTNGJEZ-UHFFFAOYSA-N,3,1,0.471,75,980,465.304,4.233,5,0.38,0.68,1.0,0.7041755191556439,0.6457662257556027,0.5334966760331711,0.5833818792406278,0.6167050750462615
EOS-3-37044,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)c(F)cn5)n34)ncn2)nc1,KJJYYSZKHAYNCW-UHFFFAOYSA-N,3,1,0.398,18,481,462.876,3.761,5,0.375,0.61,0.997,0.6289836200397505,0.5841614693989445,0.49212699609348226,0.5011394010006168,0.5516028716331985
EOS-3-37045,Fc1c(CCOc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)ccnc1Cl,UQZSQEFBZTUNGX-UHFFFAOYSA-N,3,1,0.489,18,949,448.849,3.452,5,0.364,0.62,1.0,0.7927489548351724,0.7416815160030156,0.4954423959975327,0.5147950791583853,0.6361669864985264
EOS-3-37046,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)cnc1Cl,HBUVAQQEAULDAY-UHFFFAOYSA-N,3,1,0.516,65,76,448.849,3.452,5,0.364,0.62,1.0,0.87538551161675,0.9216726064012062,0.6380302926461517,0.6340809403056679,0.767292337742444
EOS-3-37047,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cn(C)nc4C)n23)nc1F,LKYFBPULGXAXDC-UHFFFAOYSA-N,3,1,0.398,31,460,447.478,2.872,5,0.354,0.64,0.999,0.30132444657665686,0.24338633404153245,0.12097354533616612,0.08315057227057775,0.1872087245562333
EOS-3-37048,Cc1nc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(C)n5)c4)n23)ccc1F,IUVCZZMEMIQPFM-UHFFFAOYSA-N,3,1,0.477,4,390,445.433,4.117,5,0.402,0.63,1.0,0.6150023987389487,0.5938335275169625,0.6855852923034748,0.5983825645946131,0.6232009457884998
EOS-3-37049,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccc2F)cn1,NOAKXEQDNBBZBL-UHFFFAOYSA-N,3,1,0.537,16,253,419.445,3.731,5,0.429,0.68,1.0,0.7816205194983209,0.7504026454663834,0.5131930642176684,0.4673942841477623,0.6281526283325337
EOS-3-37050,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)cc1Cl,UZFFQUOJUYJIJU-UHFFFAOYSA-N,3,1,0.636,59,294,438.875,4.681,5,0.396,0.73,1.0,0.7872232883284216,0.767844904393119,0.8560413953807141,0.867932287026249,0.8197604687821259
EOS-3-37051,Fc1ncccc1-c1cc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)ncn1,LZTLHFKLLVWMRV-UHFFFAOYSA-N,3,1,0.44,18,194,448.849,3.452,5,0.364,0.59,0.866,0.8039716263450072,0.7371153450757316,0.5059625796724008,0.5510588719073402,0.64952710575012
EOS-3-37052,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5Cl)n34)c2)s1,JXBXFFJCTVFJAG-UHFFFAOYSA-N,3,1,0.565,43,146,452.902,4.99,5,0.374,0.78,1.0,0.7582413816736344,0.8863854430813515,0.680265231992324,0.7301333013501473,0.7637563395243643
EOS-3-37053,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)ncn2)nc1,IJTOLRFDAAQWQV-UHFFFAOYSA-N,3,1,0.433,18,481,442.458,3.416,5,0.394,0.58,0.974,0.5835874854362278,0.4464824206702762,0.36245802206839833,0.28141491330272084,0.41848571036940585
EOS-3-37054,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5scnc5C)n34)ccn2)n1,JAHSTYRYFZNNES-UHFFFAOYSA-N,3,1,0.477,7,99,416.47,3.296,5,0.43,0.69,1.0,0.3876447810294017,0.27372181481735314,0.09414193681036255,0.06676204509629223,0.2055676444383524
EOS-3-37055,Cc1nc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5F)n34)c2)n(C)n1,YPRBHGHVHCTWQA-UHFFFAOYSA-N,3,1,0.362,61,341,486.486,3.733,6,0.406,0.81,1.0,0.23984819409224864,0.27373038174216985,0.27769686793228704,0.36316050990336507,0.28860898841751764
EOS-3-37056,Fc1cccc(F)c1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ncn1,DHAYRQXTDGMEOJ-UHFFFAOYSA-N,3,1,0.409,46,488,452.812,3.549,5,0.399,0.58,0.988,0.5924713864711123,0.6508292783222535,0.6775409499006236,0.7356504009320814,0.6641230039065177
EOS-3-37057,CCCn1ncnc1CCOc1cncc2nnc(-c3cnnc(-c4cc(F)ccn4)c3)n12,NTXHEMSAMKAEEV-UHFFFAOYSA-N,3,1,0.412,53,779,446.45,2.405,5,0.354,0.63,0.988,0.23985676101706532,0.14859331094510314,0.01619148790350216,0.03236584195737098,0.1092518504557604
EOS-3-37058,CCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nccn1C,DYIRLBAFWGAYIA-UHFFFAOYSA-N,3,1,0.43,31,578,460.929,3.819,5,0.34,0.7,0.997,0.5455246384757727,0.5000942361729833,0.18854088136522515,0.1959769721060928,0.3575341820300185
EOS-3-37059,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cn1,BVFPWUFDJYVRMV-UHFFFAOYSA-N,3,1,0.511,84,265,465.851,4.196,5,0.371,0.66,1.0,0.9389949283805086,0.9407083133438421,0.7824258104310876,0.8123757795901583,0.8686262079363991
EOS-3-37060,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1ncccc1F,YLWWUZBEZUZXIV-UHFFFAOYSA-N,3,1,0.517,37,490,465.851,4.196,5,0.371,0.66,1.0,0.9326811047906244,0.9364676855595915,0.722328832842163,0.7788277020080872,0.8425763313001164
EOS-3-37061,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(C#N)c5)n34)nc2)sn1,HIMRLWOUMFJAHF-UHFFFAOYSA-N,3,1,0.455,46,348,443.467,4.208,5,0.401,0.66,1.0,0.6038568295524639,0.5938420944417792,0.7197673223219793,0.6775666506750737,0.648758224247824
EOS-3-37062,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn(C)c2=O)c1,XYCIFPCRHADYNF-UHFFFAOYSA-N,3,1,0.455,65,349,462.901,2.56,5,0.382,0.63,1.0,0.3463093687889795,0.22804297169488041,0.2959444177917895,0.3025409499006237,0.29320942704406827
EOS-3-37063,Cc1cncc(-c2cnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)n1,XVZJGEHDBWNKPG-UHFFFAOYSA-N,3,1,0.435,65,530,445.874,3.017,5,0.388,0.54,1.0,0.6554040161743541,0.6262764717976835,0.20588890411897745,0.23997669796449866,0.43188652251387843
EOS-3-37064,Cc1ccc(Cl)cc1-n1nnc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)n1,KZKIKGHKSCAXFD-UHFFFAOYSA-N,3,1,0.274,10,952,467.884,3.248,6,0.384,0.6,0.995,0.02893050510588719,0.17222945651428964,0.10163799602494689,0.20178534713179358,0.12614582619422932
EOS-3-37065,CCOCc1csc(COc2cncc3nnc(-c4ccc(C(N)=O)nn4)n23)n1,ZINLMMQGEJWMIZ-UHFFFAOYSA-N,3,1,0.387,63,105,412.435,1.252,4,0.452,0.72,0.998,0.16517031046535535,0.0976715098348297,0.005568501130834076,0.0015591803166335413,0.06749237543691317
EOS-3-37066,Cc1nnc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)s1,SLDZCLVGWKPXAR-UHFFFAOYSA-N,3,1,0.488,13,145,422.42,4.689,5,0.418,0.76,1.0,0.6007813035432801,0.6702247961071893,0.6802737989171407,0.6948804057295593,0.6615400760742923
EOS-3-37067,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cncnc3C)n12,PRISQGIZOZPYHI-UHFFFAOYSA-N,3,1,0.467,58,710,440.467,2.977,5,0.377,0.59,1.0,0.5045319032280172,0.22295421835377974,0.11513946953601535,0.06510006168185868,0.22693141319991775
EOS-3-37068,Cc1ccc(-c2nnc3cncc(CCc4ccc(C(=O)NOCc5ccccc5)cc4)n23)cc1,FWZBQANRSHSXGA-UHFFFAOYSA-N,3,1,0.436,79,824,463.541,4.747,5,0.336,0.81,1.0,0.3170019189911589,0.1722380234391063,0.6802823658419573,0.5544599410595573,0.430995562332945
EOS-3-37069,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)nn2)n1,BLGFFHKWDPJSPA-UHFFFAOYSA-N,3,1,0.422,71,614,466.469,1.751,6,0.356,0.59,1.0,0.3599564800219313,0.21752278802001235,0.04156671921047221,0.03132924405455418,0.1625938078267425
EOS-3-37070,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccc(Cl)nc6)cs5)n34)cn2)nn1,LDMGFSWRPNJQFC-UHFFFAOYSA-N,3,1,0.314,76,968,472.925,3.821,6,0.356,0.7,0.992,0.06922075251867589,0.23794633678294838,0.19200191899115893,0.26074292372010144,0.18997798300322116
EOS-3-37071,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)ccc1-c1nccc(F)n1,CDQNLQLXWGQRLD-UHFFFAOYSA-N,3,1,0.467,13,573,447.861,4.791,5,0.358,0.75,0.977,0.6771811390583237,0.727666027002947,0.4680967719827291,0.547812007401823,0.6051889863614557
EOS-3-37072,Cc1cc(Cl)nc(CCOc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,MXZMOCUJAOPTIR-UHFFFAOYSA-N,3,1,0.654,90,400,418.259,4.562,4,0.445,0.72,1.0,0.9589472962785278,0.9739651154821465,0.844904393119046,0.8964173120416695,0.9185585292303474
EOS-3-37073,Cc1nc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1nc[nH]n1,MDHSXWWNCSMJHP-UHFFFAOYSA-N,3,1,0.388,31,814,451.853,3.089,5,0.418,0.56,0.976,0.6554125830991707,0.6457747926804195,0.2522274004523336,0.3059677198272908,0.4648456240148036
EOS-3-37074,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)ncc1Cl,XJAVJYCIFAUALV-UHFFFAOYSA-N,3,1,0.479,87,307,447.861,4.057,5,0.387,0.61,1.0,0.8196405318346927,0.8013758481255568,0.6775495168254403,0.7087588239325612,0.7518311801795627
EOS-3-37075,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(F)n5C)c(F)c4)n23)ncc1F,XUBRRNXPPFVXED-UHFFFAOYSA-N,3,1,0.444,73,379,452.4,3.287,5,0.404,0.59,1.0,0.7758121444726201,0.7590552395312179,0.5169453772873689,0.47933657734219726,0.632787334658351
EOS-3-37076,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)s1,KXIAIMXSVKUROE-UHFFFAOYSA-N,3,1,0.517,2,422,435.9,4.246,5,0.407,0.67,1.0,0.4070402988143376,0.5226852169145364,0.3813652251387842,0.40386196970735383,0.428738177643753
EOS-3-37077,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)ccn1,GZTPGLGWOXXEPN-UHFFFAOYSA-N,3,1,0.547,4,183,447.861,4.345,5,0.382,0.62,1.0,0.7009457884997601,0.6847800013707079,0.6882753066959084,0.6805308066616408,0.6886329758070042
EOS-3-37078,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)cn1,HUTMRTQLNDLJFC-UHFFFAOYSA-N,3,1,0.338,32,327,434.488,4.434,6,0.405,0.63,1.0,0.10778904804331438,0.1641422794873552,0.4853334247138647,0.4763895552052635,0.30841357686244947
EOS-3-37079,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c(F)c1,CCDUDCPRHSHXPA-UHFFFAOYSA-N,3,1,0.489,20,279,450.865,3.396,5,0.391,0.59,1.0,0.6861078747172915,0.6898259200877254,0.48186382016311424,0.5078558700568844,0.5914133712562538
EOS-3-37080,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccn(-c6ccnc(F)c6)n5)n34)cc2)nc1,WQTWMJKKMSHOHH-UHFFFAOYSA-N,3,1,0.321,3,787,452.428,4.379,6,0.369,0.65,1.0,0.036486532794188196,0.1937924062778425,0.7824343773559044,0.7948478514152559,0.4518902919607978
EOS-3-37081,FCc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ncn2)cn1,UTHJJKJOONHOLX-UHFFFAOYSA-N,3,1,0.38,7,395,449.837,3.135,5,0.385,0.55,0.76,0.5169967788362689,0.522693783839353,0.35121821670893016,0.3531714755671304,0.4360200637379206
EOS-3-37082,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)n1C,HJEFTEMTZAKALC-UHFFFAOYSA-N,3,1,0.412,31,194,447.89,2.96,5,0.391,0.58,0.795,0.5300870399561374,0.3913285587005688,0.18542252073195806,0.18798403125214172,0.3237055376602015
EOS-3-37083,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cc5)n34)cn2)nc1,FQZVKDOYJWLDCX-UHFFFAOYSA-N,3,1,0.281,32,299,416.448,4.305,6,0.46,0.73,1.0,0.11023918854088137,0.137482009457885,0.5570814200534576,0.5706428620382428,0.3438613700226167
EOS-3-37084,COc1nc(-c2ncnn2C)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,XZUGXPFLZHZANN-UHFFFAOYSA-N,3,1,0.462,31,180,447.434,2.146,5,0.346,0.62,0.986,0.4843824960592146,0.41520457816462203,0.09908505242957988,0.06510862860667535,0.26594518881502294
EOS-3-37085,N#CCn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)n1,CTZOUBIAVYFKNF-UHFFFAOYSA-N,3,1,0.264,98,746,446.438,2.42,6,0.421,0.55,0.8,0.09311390583236241,0.1009697758892468,0.07788191350832704,0.1315965321088342,0.10089053183469261
EOS-3-37086,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)[nH]c1F,KCGRPWBSKIVDSD-UHFFFAOYSA-N,3,1,0.467,4,239,437.826,3.046,5,0.445,0.55,1.0,0.5195497224316359,0.6028716331985471,0.2994397231169899,0.3182441230895758,0.43502630045918717
EOS-3-37087,COc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,OIJVBTMPUZSHOA-UHFFFAOYSA-N,3,1,0.522,35,265,461.432,3.552,5,0.363,0.62,1.0,0.8465578096086629,0.670233363032006,0.72485607566308,0.6340895072304845,0.7189341888835583
EOS-3-37088,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cc5)n34)cn2)cc1,NQJIZQRWKQYAKI-UHFFFAOYSA-N,3,1,0.319,69,220,416.448,4.305,6,0.46,0.71,1.0,0.0634723459666918,0.10760057569734768,0.5991707216777465,0.6400263861284353,0.3525675073675554
EOS-3-37089,Cc1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc(-c2ccnc(F)c2)n1,MCQZUUGEXGDWDP-UHFFFAOYSA-N,3,1,0.477,4,390,448.849,3.718,5,0.375,0.61,1.0,0.6710900555136728,0.8459152902474127,0.49213556301829897,0.49154444520594887,0.6251713384963333
EOS-3-37090,Cn1nc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ccncc4)nc3F)n12,MAAQUOGENYCDTG-UHFFFAOYSA-N,3,1,0.448,4,143,436.838,3.353,5,0.39,0.62,1.0,0.3738091974504832,0.5179905421150024,0.45749091905969436,0.47352820231649645,0.45570471523541906
EOS-3-37091,CC(C)(O)c1cnc(-c2nnc3cncc(-c4cnc(OCc5cccc(F)c5)nn4)n23)cn1,AUZKNPGHTJZBOW-UHFFFAOYSA-N,3,1,0.317,50,974,459.445,2.379,5,0.403,0.59,1.0,0.47957645123706394,0.4418648481940923,0.3397128366801453,0.21395038037146186,0.3687761291206909
EOS-3-37092,Cn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,IOFCOHKAZQBBON-UHFFFAOYSA-N,3,1,0.318,8,754,455.482,3.911,6,0.372,0.63,0.997,0.10298300322116373,0.2433949009663491,0.23063874991433075,0.31530566787745873,0.22308058049482557
EOS-3-37093,COc1nc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1-c1ncc(F)cn1,ZTRZGSSHNOUYGR-UHFFFAOYSA-N,3,1,0.43,65,896,445.418,2.202,5,0.368,0.58,1.0,0.7758207113974368,0.5455075046261394,0.13837296963881845,0.09840826536906312,0.3895273627578645
EOS-3-37094,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5ccnc(Cl)c5)n34)c2)o1,LQQWSJQJMLGBCO-UHFFFAOYSA-N,3,1,0.389,14,351,418.844,4.382,5,0.391,0.8,1.0,0.5069649098759509,0.5227023507641697,0.647179768350353,0.6043365773421973,0.5702959015831677
EOS-3-37095,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)c1,HZWBJKJVAKGXRS-UHFFFAOYSA-N,3,1,0.463,18,194,414.404,2.799,5,0.418,0.69,0.961,0.6317850044548009,0.5547169488040573,0.3512267836337468,0.3631690768281818,0.4752244534301967
EOS-3-37096,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)nc1,NUSSXVYBOMLLGT-UHFFFAOYSA-N,3,1,0.582,75,420,414.404,2.799,5,0.418,0.69,1.0,0.8753940785415667,0.6946405318346927,0.3140891645534919,0.30254951682544035,0.5466683229387979
EOS-3-37097,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)cn1,KHRSGBNNUVNDFZ-UHFFFAOYSA-N,3,1,0.416,42,106,464.439,4.651,6,0.351,0.73,1.0,0.3040230278939072,0.4640703173188952,0.7403108080323487,0.7714944143650195,0.5699746419025427
EOS-3-37098,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)nc1)N1CCCC1,TYESAPDFRKGPSN-UHFFFAOYSA-N,3,1,0.344,52,821,483.923,3.595,6,0.381,0.79,0.366,0.10779761496813103,0.13038002878486737,0.0062624220409841684,0.043879788910972516,0.07207996367623877
EOS-3-37099,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cc1,FSGZEPUZOMUAEE-UHFFFAOYSA-N,3,1,0.462,19,207,464.316,4.572,5,0.364,0.69,1.0,0.6617692413131382,0.732412103351381,0.6665238845863889,0.785535604139538,0.7115602083476116
EOS-3-37100,O=c1cc(-c2cnc(F)cn2)cc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)[nH]1,YGLVMJHPQHQWEW-UHFFFAOYSA-N,3,1,0.424,65,262,464.848,2.746,5,0.407,0.6,0.721,0.4390548968542252,0.29464224521965593,0.5570899869782743,0.5954783770817628,0.47156637653347955
EOS-3-37101,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(C5CCCO5)nn4CCO)n23)cn1,CTDUPFRWUYQMMC-UHFFFAOYSA-N,3,1,0.296,78,66,421.421,0.387,5,0.449,0.6,0.058,0.03376225070248783,0.04518196148310603,0.0004797477897333973,0.0003169762182167089,0.01993523404838599
EOS-3-37102,Cc1cc(-c2nn(C)c(C)c2-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)nn1C,XAYWUDGAABZIJG-UHFFFAOYSA-N,3,1,0.299,99,286,465.525,3.005,6,0.394,0.58,0.994,0.042397710917688985,0.018033376739085737,0.03198033034062093,0.016988211911452264,0.02734990747721198
EOS-3-37103,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)nc(C)n2)cn1,RZRJGVRJUNHRBQ-UHFFFAOYSA-N,3,1,0.432,44,500,463.423,4.256,5,0.36,0.68,1.0,0.7787248989102872,0.7092728394215613,0.8319940374203276,0.7641782605715852,0.7710425090809403
EOS-3-37104,CCc1ccc(COc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)nc1,CADFGSFFRKRERI-UHFFFAOYSA-N,3,1,0.529,15,506,411.469,3.728,5,0.423,0.84,1.0,0.2638355835789185,0.18932047152354192,0.48534199163868136,0.35003598108423,0.32213350695634296
EOS-3-37105,Fc1ccnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c2)c1,DQOFJJVGDYSCLR-UHFFFAOYSA-N,3,1,0.34,32,20,445.461,5.116,6,0.375,0.74,1.0,0.27981289836200396,0.3960232335001028,0.7590124049071345,0.7877887053663217,0.5556593105338907
EOS-3-37106,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)c(-c2cncnc2)c1,BLIBTROBWPBHGS-UHFFFAOYSA-N,3,1,0.341,69,696,445.461,5.116,6,0.375,0.74,1.0,0.29087279830032214,0.44649098759509287,0.8401240490713453,0.8582430950585977,0.6089327325063395
EOS-3-37107,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)cc1,IJBFSRPROOHVAO-UHFFFAOYSA-N,3,1,0.333,69,645,433.5,5.039,6,0.387,0.76,1.0,0.0954612432321294,0.14484099787540264,0.5403159481872387,0.6013295867315468,0.3454869440065794
EOS-3-37108,N#Cc1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)cc(-c2cnccn2)n1,XGENPECCKLLRDP-UHFFFAOYSA-N,3,1,0.448,65,324,456.857,2.58,5,0.374,0.58,0.995,0.7318638201631142,0.7888852717428552,0.21987012541977932,0.2667826057158522,0.5018504557604002
EOS-3-37109,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)no1,PPFWJQUJALGBEB-UHFFFAOYSA-N,3,1,0.338,38,983,424.449,4.027,6,0.417,0.63,1.0,0.2342968268110479,0.17224659036392298,0.3287728736892605,0.34036392296621204,0.2689200534576109
EOS-3-37110,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)nc5)n34)s2)n(C)n1,KMGBPBWWNJZSOL-UHFFFAOYSA-N,3,1,0.294,76,14,454.523,3.419,6,0.402,0.59,1.0,0.03496162017682133,0.08534370502364472,0.09415050373517922,0.07798471660612706,0.07311013638544309
EOS-3-37111,Cc1ccc(COc2cncc3nnc(-c4cccnc4-c4ncc(F)cn4)n23)cn1,PUFOBEOYABMIMY-UHFFFAOYSA-N,3,1,0.59,55,775,414.404,3.065,5,0.432,0.69,1.0,0.7256956342951134,0.6028802001233637,0.29595298471660614,0.2607514906449181,0.4713200774450004
EOS-3-37112,Fc1cnc(Cl)cc1CCOc1cncc2nnc(-c3cccc(-c4ccccn4)c3)n12,VCJMRWSTPQDCRL-UHFFFAOYSA-N,3,1,0.533,11,201,446.873,4.662,5,0.353,0.72,1.0,0.9038705366321705,0.9080426290178878,0.807535467068741,0.8224247824001096,0.8604683537797273
EOS-3-37113,Fc1cccc(-c2cccnc2-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)c1,AOUOOHSKYSDHQV-UHFFFAOYSA-N,3,1,0.315,10,783,453.416,3.774,6,0.375,0.6,0.998,0.013929819751901858,0.14121718867795216,0.5863631690768282,0.6805393735864574,0.35551238777328487
EOS-3-37114,N#Cc1cc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccsc5)n4)n23)ccc1Cl,DIHOMUSRIAANTF-UHFFFAOYSA-N,3,1,0.477,73,335,463.885,4.553,5,0.376,0.73,1.0,0.8887156466314852,0.9140737440888219,0.7524929751216504,0.7877972722911384,0.8357699095332739
EOS-3-37115,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)c(Cl)c1,BUEUFQLFIILMJZ-UHFFFAOYSA-N,3,1,0.56,97,146,449.301,5.134,5,0.37,0.78,1.0,0.7614368446302515,0.9407168802686587,0.9103985333424713,0.9351226783633747,0.886918734151189
EOS-3-37116,Cn1cc(-c2cnc(F)c(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)c2)cn1,PERKNEICSMIUGZ-UHFFFAOYSA-N,3,1,0.329,94,615,467.443,3.989,6,0.362,0.67,1.0,0.19298711534507573,0.30455417723254063,0.7275803577547804,0.730141868274964,0.48881587965184015
EOS-3-37117,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6c[nH]nn6)n5)n34)cn2)cc1,MXAHCXULKMQJDC-UHFFFAOYSA-N,3,1,0.307,30,541,417.436,3.7,6,0.466,0.65,0.991,0.05651600301555754,0.11077890480433143,0.3472945651428963,0.40723733808512097,0.23045670276197658
EOS-3-37118,Cc1cc(Cl)ccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)n1,IFEIQPPBBGAVDQ-UHFFFAOYSA-N,3,1,0.324,10,871,465.908,4.458,6,0.379,0.68,0.905,0.032631416626687684,0.217531354944829,0.3850147351106847,0.47044410938249603,0.27640540401617436
EOS-3-37119,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ncn(-c6ccccc6)n5)n34)c2)o1,LUSAEYKICGRLFU-UHFFFAOYSA-N,3,1,0.437,77,807,450.462,3.914,6,0.376,0.66,1.0,0.23143547392228087,0.19380097320265918,0.25549139880748406,0.22231169899252964,0.22575988623123844
EOS-3-37120,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)nc(C)n2)nn1,IIOCYVFKIZOJOQ-UHFFFAOYSA-N,3,1,0.463,19,531,460.448,3.555,5,0.379,0.59,0.862,0.6405575354670687,0.5363837296963881,0.43588513467205814,0.41045850181618804,0.5058212254129257
EOS-3-37121,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnc(F)c(F)c5)n4)n23)nc1,VRXDPZWKGFIHNC-UHFFFAOYSA-N,3,1,0.273,10,952,468.431,3.478,6,0.362,0.64,0.321,0.022119799876636283,0.17225515728873964,0.38137379206360084,0.46419025426632854,0.25998475087382633
EOS-3-37122,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ccn2)c1,JLHWHCKJYGQIKB-UHFFFAOYSA-N,3,1,0.458,75,496,444.886,3.622,5,0.391,0.58,1.0,0.6464173120416695,0.665281680487972,0.29219210472208895,0.3242238366116099,0.4820287334658351
EOS-3-37123,Cc1ncccc1-c1cc(Cl)cnc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,OQVPKKBENKSQFL-UHFFFAOYSA-N,3,1,0.4,96,46,433.302,5.531,5,0.374,0.88,1.0,0.3438335275169625,0.5734870810773764,0.8302977863066274,0.8948666986498527,0.6606212733877047
EOS-3-37124,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)o1,HPWFOENKWHHFSU-UHFFFAOYSA-N,3,1,0.598,35,426,416.416,3.91,5,0.414,0.74,1.0,0.9437752724282091,0.8091717497087245,0.6232780481118497,0.5510674388321568,0.7318231272702351
EOS-3-37125,Cc1ncc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cn1,JGWLBGVXIXYGRI-UHFFFAOYSA-N,3,1,0.323,32,392,461.464,4.215,6,0.384,0.62,0.978,0.3170104859159756,0.3725070248783497,0.46810533890754574,0.46102049208416146,0.4046608354465081
EOS-3-37126,Fc1cnc(-c2nccnc2-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)nc1,XZQWMCWNRGJWOD-UHFFFAOYSA-N,3,1,0.391,7,206,436.798,2.2,5,0.378,0.59,0.999,0.7437547118086492,0.6126379274895484,0.11514803646083202,0.16332842162977176,0.4087172743472003
EOS-3-37127,Fc1cc(COc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)cnc1Cl,QVVXEXYYEFVHNR-UHFFFAOYSA-N,3,1,0.465,2,131,434.822,3.41,5,0.387,0.58,1.0,0.8250119936947433,0.7139246795970119,0.6173583030635323,0.6166558152285656,0.6932376978959633
EOS-3-37128,Cc1ccc(-c2ncccc2-c2nnc3cncc(OCCc4ccnc(F)c4)n23)nc1,MMWYXYQDBYVJIK-UHFFFAOYSA-N,3,1,0.506,35,578,427.443,3.712,5,0.382,0.66,1.0,0.837374066205195,0.7804639846480708,0.4714635734356795,0.4263672812007402,0.6289172263724214
EOS-3-37129,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(F)n4)n23)n(C)n1,GHRQQJFRKZDDJP-UHFFFAOYSA-N,3,1,0.407,31,662,422.449,3.07,5,0.402,0.62,0.995,0.3065502707148242,0.38666815160030155,0.16924816667808923,0.1357514906449181,0.24955451990953328
EOS-3-37130,Cn1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cn5)n34)cn2)cnc1C#N,VUNATWQCRWUQLJ-UHFFFAOYSA-N,3,1,0.31,86,977,475.451,3.117,6,0.376,0.67,1.0,0.3193835240901926,0.33877904187512853,0.31409773147830855,0.3059762867521075,0.3195591460489343
EOS-3-37131,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n(C)n1,FKTLKYXJSSKEJL-UHFFFAOYSA-N,3,1,0.618,15,438,412.457,2.912,5,0.423,0.75,1.0,0.40921629771777124,0.21753992186964566,0.12361215817969981,0.10040435885134671,0.21269318415461586
EOS-3-37132,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)o1,ZIOIBJIZMHOFJR-UHFFFAOYSA-N,3,1,0.488,2,884,438.369,4.146,5,0.381,0.66,1.0,0.8039801932698238,0.7371239120005483,0.9152388458638887,0.8697056404632993,0.8315121478993901
EOS-3-37133,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncnc5F)n34)c2)nc1,WUXRBCJQQQMVHZ-UHFFFAOYSA-N,3,1,0.394,46,181,418.367,2.896,5,0.402,0.63,1.0,0.7526471797683504,0.5046347063258173,0.5958638886985128,0.5802635186073607,0.6083523233500103
EOS-3-37134,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6cncs6)n5)n34)cc2)c1,UIERJVPYDJLFRB-UHFFFAOYSA-N,3,1,0.38,3,774,452.478,4.573,6,0.387,0.65,1.0,0.21778836268932905,0.4197621821670893,0.5268059077513536,0.640034953053252,0.45109785141525593
EOS-3-37135,Fc1cc(Cl)cnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,BNBKREKBZVKYAF-UHFFFAOYSA-N,3,1,0.525,13,145,453.264,5.487,5,0.358,0.85,1.0,0.9390034953053252,0.9688249605921458,0.9033393872935371,0.9385408813652252,0.9374271811390584
EOS-3-37136,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)cn1,DIJRPGNFQBDPSW-UHFFFAOYSA-N,3,1,0.333,42,392,449.453,3.85,6,0.377,0.61,0.987,0.28255431430333766,0.2737389486669865,0.47821431019121374,0.467402851072579,0.3754776060585292
EOS-3-37137,Cc1cn(C)c(-c2cc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)ncn2)n1,LUNNZCVVFBTOSY-UHFFFAOYSA-N,3,1,0.435,7,185,434.851,2.313,5,0.383,0.59,0.991,0.42536495099719007,0.4955623329449661,0.08486395723391131,0.07623706394352683,0.27050707627989856
EOS-3-37138,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cc2)cc1,PUANMGJUUAKFRI-UHFFFAOYSA-N,3,1,0.403,93,651,452.481,4.849,6,0.376,0.69,1.0,0.2177969296141457,0.320043177301076,0.7118771845658283,0.7301504351997807,0.49496693167020767
EOS-3-37140,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(F)cn5)cn4)n23)cn1,CWNKDTIBAARWFR-UHFFFAOYSA-N,3,1,0.471,7,535,415.392,2.46,5,0.427,0.66,1.0,0.6464258789664862,0.6508378452470701,0.1920104859159756,0.16333698855458845,0.41315279967103014
EOS-3-37141,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4ccsc4)ccn3)n12,SCJHHXCSVSWGEL-UHFFFAOYSA-N,3,1,0.456,18,840,452.902,4.724,5,0.371,0.71,1.0,0.6771897059831403,0.6508464121718868,0.7429751216503324,0.7855441710643547,0.7141388527174286
EOS-3-37142,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)nc1,CZASWBQJGQIDQP-UHFFFAOYSA-N,3,1,0.573,27,676,454.437,4.908,5,0.376,0.76,1.0,0.5506819272154068,0.6557638270166541,0.9670002056061956,0.922580700431773,0.7740066650675074
EOS-3-37143,COc1nc(-c2nnc3cncc(OCCc4cnc(F)cn4)n23)ccc1-c1cscn1,BYYITRUETNFQLN-UHFFFAOYSA-N,3,1,0.427,49,501,450.459,2.869,5,0.369,0.6,0.861,0.5556678774587074,0.48601877869919813,0.12924062778425058,0.09435610993077925,0.31632084846823383
EOS-3-37144,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n[nH]2)nc1,DGRILKZKLHLPHE-UHFFFAOYSA-N,3,1,0.394,6,584,438.415,1.73,6,0.392,0.62,1.0,0.45546055787814405,0.42866321705160715,0.03720615447878829,0.03237440888218765,0.2384260845726818
EOS-3-37145,Cn1nccc1-c1cccc(-c2nnc3cncc(COc4ccc(Cl)nn4)n23)c1,QXUKNWCPUKRJGG-UHFFFAOYSA-N,3,1,0.363,72,351,418.848,3.214,5,0.432,0.62,1.0,0.36438558015214856,0.3866767185251182,0.3813823589884175,0.3727383318483997,0.376295747378521
EOS-3-37146,Cc1c(F)cccc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,PJNHHCCMRDVVOK-UHFFFAOYSA-N,3,1,0.554,43,372,446.873,4.928,5,0.381,0.75,1.0,0.8921852511822356,0.967377150298129,0.8719501747652663,0.8880217257213351,0.9048835754917415
EOS-3-37147,Fc1ccc(-c2nccnc2-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)cc1,VMZRDEGYJPPVGH-UHFFFAOYSA-N,3,1,0.365,64,449,464.439,4.651,6,0.375,0.68,1.0,0.36439414707696527,0.5227109176889864,0.6965423891439929,0.7588753341100678,0.5856306970050031
EOS-3-37148,COc1ncccc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)ccc1F,WQUNCKUWLGYJAJ-UHFFFAOYSA-N,3,1,0.534,34,71,464.407,4.253,5,0.347,0.72,0.95,0.8196490987595093,0.9010263175930368,0.8811853197176341,0.8145089438695086,0.8540924199849222
EOS-3-37149,Cn1ncnc1-c1ccc(OCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1,DZUROEPHDLAIAU-UHFFFAOYSA-N,3,1,0.378,52,306,485.483,2.592,6,0.373,0.77,1.0,0.3344613117675279,0.2581642793502844,0.11811219244739908,0.12528270851895004,0.20900512302104038
EOS-3-37150,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nnco5)c4)n23)c1F,PTSMSIHPPKNLKL-UHFFFAOYSA-N,3,1,0.282,64,27,454.4,4.244,6,0.389,0.61,1.0,0.2879257761633884,0.3045627441573573,0.6380388595709684,0.7003632376122267,0.48272265437598516
EOS-3-37151,Fc1cccnc1-c1cccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,OKJPILOKYFLNAJ-UHFFFAOYSA-N,3,1,0.523,57,962,433.393,4.85,5,0.397,0.69,1.0,0.9277893907203071,0.9058923308889041,0.9578507299019944,0.9566941950517442,0.9370566616407374
EOS-3-37152,COc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C#N)n5C)ncn4)n23)cn1,OJRQOVQHAXLWMX-UHFFFAOYSA-N,3,1,0.412,92,185,441.415,1.231,5,0.373,0.59,1.0,0.35291446782263036,0.27374751559180316,0.03721472140360496,0.019918100198752654,0.17094870125419778
EOS-3-37153,Cn1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)nn1,UUGOEOKKHOBNKQ-UHFFFAOYSA-N,3,1,0.392,85,290,419.399,2.905,5,0.432,0.61,0.968,0.10553594681653074,0.1809420190528408,0.5132016311424851,0.432741073264341,0.30810516756904943
EOS-3-37154,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cc(C)ccn1,LQUYHOGCGSOQBH-UHFFFAOYSA-N,3,1,0.438,46,690,457.925,4.747,5,0.363,0.74,0.91,0.5223596737715029,0.5841700363237612,0.39228805428003566,0.3853745459529847,0.4710480775820711
EOS-3-37155,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cn(C)cn5)c4)n23)c(Br)c1,AJEFZWXONYBKBQ-UHFFFAOYSA-N,3,1,0.518,43,230,475.35,4.842,5,0.364,0.84,1.0,0.6919162497429923,0.6028887670481804,0.7300476321019806,0.6569631964909876,0.6704539613460353
EOS-3-37156,Cc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cccc(C)n5)c4)n23)ccn1,IZPURSGSFMJQDD-UHFFFAOYSA-N,3,1,0.575,11,684,440.482,4.626,5,0.383,0.71,1.0,0.917192104722089,0.9140823110136386,0.7017168117332603,0.6138201631142485,0.7867028476458091
EOS-3-37157,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)ccn1,TVJQADUHQDOAOT-UHFFFAOYSA-N,3,1,0.329,69,479,451.49,5.178,6,0.344,0.85,1.0,0.21780549653896236,0.38217051607155095,0.7197758892467959,0.7195959838256459,0.5098369714207388
EOS-3-37158,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6ccnc(F)c6)c(F)c5)n34)cn2)nc1,RTYYGLONPUTEAX-UHFFFAOYSA-N,3,1,0.295,10,151,471.406,3.913,6,0.36,0.69,0.998,0.013278733465835104,0.2434034678911658,0.7590209718319512,0.787805839215955,0.4508772531012268
EOS-3-37159,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)c1-c1ccc(F)cn1,AIPXLAMHFDGXIF-UHFFFAOYSA-N,3,1,0.298,70,887,450.441,3.245,6,0.402,0.54,0.995,0.18454869440065794,0.2635700089096018,0.3179185799465424,0.35004454800904666,0.2790204578164622
EOS-3-37160,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)c2)nn1,CUPNUOARMABADV-UHFFFAOYSA-N,3,1,0.314,42,339,461.464,4.215,6,0.359,0.66,1.0,0.2742700980056199,0.3485624700157631,0.5059711465972174,0.507864436981701,0.40916703790007536
EOS-3-37161,Cc1csc(COc2cncc3nnc(-c4cc(-c5nnc(C)s5)ncn4)n23)n1,DSVGSDNKVZIGNL-UHFFFAOYSA-N,3,1,0.391,31,587,423.487,2.752,5,0.42,0.64,0.856,0.23986532794188198,0.1641508464121719,0.007633130011651018,0.0037523130697005003,0.10385040435885134
EOS-3-37162,Cc1ncc(-c2nnc3cncc(-c4cccnc4-c4ncn(C)n4)n23)c(-c2ccncc2)n1,JPPZPRQPYDKXRP-UHFFFAOYSA-N,3,1,0.274,86,723,447.466,2.809,6,0.401,0.56,0.672,0.029967103008703994,0.02897333972997053,0.065014392433692,0.06511719553149202,0.04726800767596463
EOS-3-37163,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(CO)n5)cnn4)n23)cc1,DOJPFUSOLPMLDQ-UHFFFAOYSA-N,3,1,0.295,74,295,465.477,2.09,6,0.385,0.65,1.0,0.13765334795421835,0.03788294153930505,0.09909361935439655,0.12304674114179974,0.09941916249742992
EOS-3-37164,Fc1cccc(F)c1-c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5)n4)n23)cn1,SFZBVKBFQHXQBA-UHFFFAOYSA-N,3,1,0.342,30,298,464.439,4.651,6,0.375,0.67,0.867,0.24247824001096566,0.46407888424371185,0.6855938592282914,0.7762147899390035,0.5420914433554931
EOS-3-37165,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5nccs5)c4)n23)ccc1Cl,GTCGBBAALHSMCQ-UHFFFAOYSA-N,3,1,0.61,24,805,438.875,4.681,5,0.396,0.72,1.0,0.92526214789939,0.9458313343842094,0.7664656294976355,0.7855527379891714,0.8557779624426016
EOS-3-37166,Cc1nc(C)c(-c2nnc3cncc(-c4cncc(-c5ccc(Cl)nn5)c4)n23)cc1Cl,UJFDBYYNEMABRM-UHFFFAOYSA-N,3,1,0.3,50,859,449.305,4.629,5,0.396,0.66,0.939,0.24510828592968267,0.28415632924405454,0.5471780549653896,0.628066959084367,0.4261274073058735
EOS-3-37167,Cn1cc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,XSZZTWFFXWMSFN-UHFFFAOYSA-N,3,1,0.396,20,658,417.408,2.137,5,0.387,0.69,1.0,0.3713761908025495,0.25817284627510106,0.23765506133918168,0.20179391405661024,0.26724950311836065
EOS-3-37168,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)cn4)n23)cc1,NGOAZIADJHYVAR-UHFFFAOYSA-N,3,1,0.457,71,117,462.477,3.018,6,0.367,0.58,1.0,0.4412908642313755,0.21263107394969502,0.26267048180385166,0.2077393598793777,0.28108294496607494
EOS-3-37169,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(C)nc5Cl)n34)[nH]n2)cn1,GGZXKAOPKYFJHV-UHFFFAOYSA-N,3,1,0.444,15,963,446.902,3.863,5,0.394,0.63,1.0,0.47716057843876364,0.5271999862929203,0.3922966212048523,0.3562727023507642,0.4382324720718251
EOS-3-37170,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccn4)n23)cc1F,DUXXBRXRTUSOIH-UHFFFAOYSA-N,3,1,0.547,97,744,441.401,3.977,5,0.38,0.63,1.0,0.82502056061956,0.8701939551778494,0.9279264615173737,0.9060893701596875,0.8823075868686177
EOS-3-37171,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)nc2)cn1,NSJRTEGBSMIQET-UHFFFAOYSA-N,3,1,0.423,18,720,462.876,3.761,5,0.375,0.6,0.967,0.7405164142279488,0.7590638064560346,0.5059797135220341,0.4915530121307655,0.6242782365841957
EOS-3-37173,Fc1cc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1,HCFFQLWHWURBQU-UHFFFAOYSA-N,3,1,0.61,97,439,450.836,4.759,5,0.359,0.7,1.0,0.6178808854773491,0.8091803166335412,0.9305650743609074,0.9411537934343088,0.8246950174765266
EOS-3-37174,Fc1cc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1,FPEVVVYIUHNPCX-UHFFFAOYSA-N,3,1,0.524,97,439,450.836,4.759,5,0.359,0.7,1.0,0.8792406277842506,0.8863940100061681,0.9418905489685423,0.9488554588444932,0.9140951614008634
EOS-3-37175,Fc1ccccc1-n1nnnc1-c1ccc(-c2cncc3nnc(-c4cccc(Cl)n4)n23)nc1,LDDPTUCOAFGDHL-UHFFFAOYSA-N,3,1,0.292,10,387,470.859,3.684,6,0.358,0.69,0.996,0.06922931944349256,0.2737560825166198,0.3512353505585635,0.5245099719004866,0.30468268110479063
EOS-3-37176,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnn5)c4)n23)ccc1Cl,BJLYNCHELYGFLK-UHFFFAOYSA-N,3,1,0.553,43,433,462.872,4.628,5,0.363,0.71,1.0,0.9543811253512439,0.9534130628469605,0.8954149818381194,0.8663645397847989,0.9173934274552806
EOS-3-37177,CCn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c(F)c1,FLCINMFLMIZGDJ-UHFFFAOYSA-N,3,1,0.329,9,867,452.453,4.531,6,0.379,0.66,1.0,0.29886573915427317,0.30961722979919126,0.5435885134672058,0.5315177164005209,0.4208972997052978
EOS-3-37178,c1cnnc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5cscn5)n34)n2)c1,IEJNLWVEJJLNJF-UHFFFAOYSA-N,3,1,0.284,76,368,435.476,3.829,6,0.411,0.57,1.0,0.0617418271537249,0.09768007675964636,0.1692567336029059,0.21395894729627854,0.13565939620313894
EOS-3-37179,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c1,HSHFLMONSHHMGF-UHFFFAOYSA-N,3,1,0.398,51,36,438.814,2.143,5,0.38,0.58,1.0,0.3942755808375026,0.4464995545199095,0.21987869234459598,0.2577273661846344,0.32959529847166064
EOS-3-37180,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1cncs1,IGIMBADPAVBRRP-UHFFFAOYSA-N,3,1,0.603,95,998,425.424,3.506,5,0.429,0.63,0.999,0.41825440339935577,0.3387876087999452,0.5991792886025632,0.6043451442670139,0.49014161126721945
EOS-3-37181,Cc1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)cc(-c2cc(F)cc(F)c2)n1,REQGDKKBHFBGQE-UHFFFAOYSA-N,3,1,0.541,4,677,447.449,4.061,5,0.404,0.63,1.0,0.4277208553217737,0.40575526009183743,0.617366869988349,0.554468507984374,0.5013278733465836
EOS-3-37182,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4ccnc(-c5ncnn5C)c4)n23)c1,KDBAVSBVZBPAIM-UHFFFAOYSA-N,3,1,0.381,80,184,465.481,2.356,6,0.364,0.63,1.0,0.2664484956480022,0.12344938660818312,0.10675245014049757,0.0762456308683435,0.14322399081625659
EOS-3-37183,FC(F)c1ccn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)n1,SWLMUKMDKLWZJP-UHFFFAOYSA-N,3,1,0.294,38,608,467.443,4.434,6,0.37,0.69,1.0,0.01633712562538551,0.11363169076828182,0.6203481598245494,0.5641491330272086,0.3286165273113563
EOS-3-37184,Fc1cccc(F)c1-c1cnnc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,MINFUTLWOLDLKZ-UHFFFAOYSA-N,3,1,0.494,45,121,453.359,4.19,5,0.369,0.64,0.838,0.5805462271263108,0.9010348845178535,0.9254506202453567,0.9368446302515249,0.8359690905352616
EOS-3-37185,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cc4)n23)cn1,GSTALKYVBZLNCF-UHFFFAOYSA-N,3,1,0.305,42,174,435.516,4.982,6,0.39,0.72,1.0,0.15154033308203688,0.1107874717291481,0.5200209032965527,0.5348502501542046,0.3292997395654856
EOS-3-37186,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)nc2)nn1,VBEYOZIFZVLBLL-UHFFFAOYSA-N,3,1,0.404,53,662,413.445,2.573,5,0.432,0.73,1.0,0.20970118566239462,0.12713316427935029,0.09415907065999589,0.05057055719279008,0.12039099444863272
EOS-3-37187,Cc1nc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1ncc(F)cn1,KDOMLVAITQETFI-UHFFFAOYSA-N,3,1,0.424,73,775,466.839,3.857,5,0.384,0.62,1.0,0.6980244671372764,0.7139332465218285,0.5704201219930094,0.5925142210951957,0.6437230141868275
EOS-3-37188,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)n1,TXGLCLPHTYXYCH-UHFFFAOYSA-N,3,1,0.317,3,787,441.842,3.742,6,0.38,0.63,1.0,0.1029915701459804,0.15250839558632034,0.42494517168117335,0.47045267630731274,0.2877244534301967
EOS-3-37189,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)c2)n1,QLLOPHBIYQEICM-UHFFFAOYSA-N,3,1,0.512,20,658,418.396,1.532,5,0.404,0.63,1.0,0.5428688917826057,0.5134757727366185,0.08972997052977863,0.0963350695634295,0.3106024261531081
EOS-3-37190,N#Cc1cccc(-c2cc(-c3nnc4cncc(Oc5ncc(Cl)cc5Cl)n34)ncn2)c1,VPMREQMSGWFVHV-UHFFFAOYSA-N,3,1,0.343,44,971,461.272,4.614,5,0.381,0.69,0.991,0.6861164416421082,0.6508549790967034,0.7847217462819547,0.8385820026043451,0.7400687924062779
EOS-3-37191,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1F,RAFZJCCOUZUYSJ-UHFFFAOYSA-N,3,1,0.479,37,482,464.892,3.879,5,0.36,0.66,1.0,0.7163491193201289,0.7046552669453773,0.3659704612432321,0.4009492152696868,0.5469810156946063
EOS-3-37192,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,IMSCZKLOFKBYOX-UHFFFAOYSA-N,3,1,0.454,26,482,464.892,3.879,5,0.36,0.66,1.0,0.5143752998423686,0.5363922966212048,0.4504232060859434,0.4763981221300802,0.49439723116989925
EOS-3-37193,Clc1cc(-c2nnc3cncc(OCc4sccc4Cl)n23)ccc1-c1nc[nH]n1,NKLKSFHAOJZGAR-UHFFFAOYSA-N,3,1,0.512,47,164,444.307,4.524,5,0.428,0.65,1.0,0.6464344458913028,0.7504112123912,0.638047426495785,0.7433520663422658,0.6945612877801384
EOS-3-37194,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)n1,SLRPEBQSORYJQW-UHFFFAOYSA-N,3,1,0.494,16,55,448.849,3.718,5,0.375,0.6,1.0,0.752655746693167,0.6652902474127887,0.5769738194777603,0.5738468919196765,0.6421916763758482
EOS-3-37195,Cc1ncc(-c2cc(C#N)cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)o1,JBJLDHLZOSZUCM-UHFFFAOYSA-N,3,1,0.483,97,91,443.854,4.254,5,0.37,0.69,1.0,0.789870468096772,0.7416900829278322,0.8034319100815571,0.7511651017750668,0.7715393907203071
EOS-3-37196,N#Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6F)nn5)n34)cn2)n1,PKAYZLATUJTPEZ-UHFFFAOYSA-N,3,1,0.282,10,664,478.426,3.646,6,0.376,0.69,0.661,0.008121444726201082,0.20298471660612707,0.6749708724556234,0.7248046741141799,0.4027204269755329
EOS-3-37197,NCc1cccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)c1,AYYGZNHOZUEAQR-UHFFFAOYSA-N,3,1,0.529,57,962,461.447,4.913,5,0.364,0.77,1.0,0.8465663765334795,0.6847885682955246,0.9771862792132137,0.9695103145774793,0.8695128846549243
EOS-3-37198,Cc1nc(-c2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)n1C,USCALAXBGBGCBJ-UHFFFAOYSA-N,3,1,0.321,22,140,436.306,4.869,5,0.404,0.73,1.0,0.19858131725035982,0.32005174422589266,0.4921441299431156,0.6805479405112741,0.4228312829826605
EOS-3-37200,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ccc(F)cc1C#N,ZXEYGWCEXOPXEX-UHFFFAOYSA-N,3,1,0.462,95,965,460.86,3.83,5,0.392,0.63,0.98,0.4277294222465904,0.522719484613803,0.7403193749571654,0.7738417517647865,0.6161525083955863
EOS-3-37201,COc1ccccc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c1,STQNUJPHHSQPHN-UHFFFAOYSA-N,3,1,0.667,79,962,444.441,5.324,5,0.355,0.84,1.0,0.9702813378109794,0.9034593242409704,0.9619457199643616,0.940322801727092,0.9440022959358508
EOS-3-37202,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)nc1,QWHCEUURBORYAN-UHFFFAOYSA-N,3,1,0.384,32,553,446.449,4.511,6,0.368,0.67,1.0,0.3144489753957919,0.3866852854499349,0.6083630320060311,0.6340980741553012,0.4858988417517648
EOS-3-37203,Cn1ccnc1-c1cc(F)ccc1-c1nnc2cncc(-c3cc(F)cc(-c4cnccn4)c3)n12,DOXZYZLMVNEUSH-UHFFFAOYSA-N,3,1,0.338,42,287,466.455,4.594,6,0.378,0.69,1.0,0.26645706257281887,0.362774998286615,0.782442944280721,0.797066684942773,0.552185422520732
EOS-3-37204,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)no2)cc1,YTUSNMGKVBVRIN-UHFFFAOYSA-N,3,1,0.457,11,848,453.289,4.77,5,0.342,0.81,1.0,0.5402131450894387,0.517999109039819,0.6173754369131657,0.7408590912206154,0.6041116955657597
EOS-3-37205,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6csnn6)n5)n34)cn2)cc1,GSWGSEAGLDFTDX-UHFFFAOYSA-N,3,1,0.351,32,653,452.478,4.573,6,0.387,0.68,0.994,0.07696525255294359,0.31468028236584195,0.5268144746761703,0.6076005756973477,0.38151514632307587
EOS-3-37206,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)n6)nc5)n34)nn2)n1,QDLFBGDZLYEZFC-UHFFFAOYSA-N,3,1,0.303,99,286,470.848,1.339,6,0.34,0.63,0.976,0.10021588650538003,0.1767099581934069,0.012456308683434994,0.019926667123569324,0.07732720512644782
EOS-3-37207,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nc1,DETYQZAIVJDOAL-UHFFFAOYSA-N,3,1,0.505,87,65,415.392,2.194,5,0.411,0.67,1.0,0.6346806250428346,0.5180076759646357,0.13506613665958467,0.15027242820917003,0.3595067164690563
EOS-3-37208,CCOCc1ccc(-c2nnc3cncc(OCc4cc(-c5csc(C)n5)ncn4)n23)cc1,XDETZRRYVBREIA-UHFFFAOYSA-N,3,1,0.506,89,463,459.535,4.129,5,0.341,0.72,0.995,0.4994517168117333,0.4286717839764238,0.28142348022753755,0.17674422589267358,0.34657280172709204
EOS-3-37210,COc1nc(C(F)F)ccc1-c1cncc2nnc(-c3cnc(-c4cccc(Cl)c4)nc3)n12,CZXNJUNKMHBAPD-UHFFFAOYSA-N,3,1,0.39,96,478,465.851,4.91,5,0.364,0.78,1.0,0.5638921252827085,0.6946490987595093,0.809728599821808,0.7691213761908026,0.7093478000137071
EOS-3-37211,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5nn(C)c(=O)cc5C)n(C)n4)n23)cn1,SQZYZFGGQUGPBK-UHFFFAOYSA-N,3,1,0.379,31,828,444.459,1.271,5,0.393,0.6,0.993,0.049790967034473305,0.08535227194846139,0.014786512233568638,0.005954012747584127,0.03897094099102186
EOS-3-37212,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)ccn2)ccn1,IEQZLSFIYTZQOM-UHFFFAOYSA-N,3,1,0.512,59,183,450.836,4.759,5,0.359,0.71,1.0,0.8941042423411693,0.8836183263655678,0.9411623603591255,0.9466965937906929,0.9163953807141388
EOS-3-37213,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5ccnnc5F)cc4F)n23)n1,GIYUNICKLFYORQ-UHFFFAOYSA-N,3,1,0.461,36,208,420.383,2.839,5,0.431,0.6,1.0,0.530095606880954,0.5688266739771092,0.6142913439791653,0.5706514289630594,0.570966263450072
EOS-3-37214,Cc1nc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)s2)n(C)n1,FRUFLEOYCPDOTE-UHFFFAOYSA-N,3,1,0.26,76,880,452.507,3.476,6,0.4,0.59,0.758,0.02122883969570283,0.02185422520731958,0.024167294907819888,0.038962374066205195,0.026553183469261873
EOS-3-37215,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)s2)n1,AMGVEXGRXFFNQX-UHFFFAOYSA-N,3,1,0.253,99,14,439.468,2.562,6,0.407,0.55,0.935,0.03784867384003838,0.060045576040024674,0.04011034199163868,0.053157768487423755,0.04779059008978137
EOS-3-37216,c1ccc(-c2cnc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cn2)cc1,NRHRQNTUKLFEAB-UHFFFAOYSA-N,3,1,0.3,30,365,429.447,3.767,6,0.417,0.57,0.989,0.08826502638612843,0.04872010143238983,0.21988725926941266,0.33727126310739497,0.17353591254883147
EOS-3-37217,NC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5ncccn5)nn4)n23)cc1,UJJUXKWDNIBNRV-UHFFFAOYSA-N,3,1,0.521,89,731,414.389,0.84,5,0.426,0.71,1.0,0.13239325611678432,0.12345795353299979,0.034653210883421284,0.016302857926118842,0.07670181961483107
EOS-3-37218,c1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nnco6)nc5)n34)c2)nc1,UWZHDQQJKSEKDZ-UHFFFAOYSA-N,3,1,0.292,70,392,419.408,3.36,6,0.423,0.61,1.0,0.16242889452402165,0.11991981358371599,0.3031235007881571,0.31825269001439244,0.22593122472757182
EOS-3-37219,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)n2)cn1,SHRFWZDUKVBTDR-UHFFFAOYSA-N,3,1,0.356,80,816,465.481,2.356,6,0.364,0.6,1.0,0.3243095058597766,0.21263964087451168,0.09416763758481256,0.0545027756836406,0.17140489000068534
EOS-3-37220,Cc1cnc(COc2cncc3nnc(-c4cnc(-c5cccnc5F)nc4)n23)cn1,FDJWJBPJTKRMRO-UHFFFAOYSA-N,3,1,0.488,7,535,415.392,2.46,5,0.399,0.73,1.0,0.5697519018573093,0.5408727983003221,0.19536015351929273,0.15827393598793776,0.3660646974162155
EOS-3-37221,Cc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)cn1,SIGDHPIUOHWZPL-UHFFFAOYSA-N,3,1,0.376,82,738,408.425,2.718,5,0.485,0.8,1.0,0.11316050990336508,0.02420156260708656,0.34730313206771296,0.2456137344938661,0.1825697347680077
EOS-3-37222,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)cn1,HRAFLUVCGUZGGD-UHFFFAOYSA-N,3,1,0.483,72,22,422.861,3.332,5,0.424,0.61,1.0,0.5697604687821259,0.694657665684326,0.2922006716469056,0.3213196490987595,0.46948461380302925
EOS-3-37223,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nnc(Cl)o5)nn4)n23)cc1,WRCKSXNATZTFRI-UHFFFAOYSA-N,3,1,0.329,10,356,473.819,2.943,6,0.372,0.62,0.948,0.29357137961757246,0.4057638270166541,0.13208484682338428,0.2723768076211363,0.2759492152696868
EOS-3-37224,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c(F)c1,XHHSXZAOWWTLSF-UHFFFAOYSA-N,3,1,0.505,26,448,449.877,4.441,5,0.381,0.65,1.0,0.5697690357069426,0.6311253512439174,0.7248646425878966,0.7221403604961962,0.6619748475087383
EOS-3-37225,COc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cccc(F)n3)n12,QGAYPDHAWUHOAT-UHFFFAOYSA-N,3,1,0.484,49,954,444.43,2.808,5,0.35,0.63,1.0,0.7405249811527654,0.5891131519429785,0.16594133369885547,0.12305530806661641,0.40465869371530394
EOS-3-37226,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)nnc2Cl)cn1,IIFUZFLNDWBVJP-UHFFFAOYSA-N,3,1,0.511,87,207,465.304,3.967,5,0.347,0.68,0.957,0.7556027688301008,0.8055393735864574,0.44684223151257624,0.5609708039202248,0.6422387944623399
EOS-3-37227,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)cc1,LWRKYKSUFANEPQ-UHFFFAOYSA-N,3,1,0.506,12,285,466.53,4.289,6,0.361,0.77,1.0,0.40053800287848673,0.3247035844013433,0.22697210609279692,0.2108491535878281,0.2907657117401138
EOS-3-37228,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccc2F)nn1,JOWRITIEUBAIOJ-UHFFFAOYSA-N,3,1,0.506,16,772,466.839,3.857,5,0.36,0.65,1.0,0.9084795421835378,0.855373175245014,0.7590295387567678,0.7641868274964019,0.8217672709204302
EOS-3-37229,COc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ncc(Cl)cn5)cnn4)n23)n1,MYDHYOCBGKZRFV-UHFFFAOYSA-N,3,1,0.378,65,65,462.861,2.112,5,0.351,0.58,1.0,0.5532862723596738,0.5408813652251387,0.04453944212185594,0.045224796107189366,0.2959829689534645
EOS-3-37230,Cc1ncnc(-c2ncc(F)cn2)c1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,NPYDXXZFLSHDTA-UHFFFAOYSA-N,3,1,0.4,51,48,450.825,2.508,5,0.393,0.56,0.981,0.6346891919676513,0.6219159070659996,0.07123397985059284,0.11383729696388184,0.3604190939620314
EOS-3-37231,COc1c(-c2nnc3cncc(-c4nc(-c5ccccc5)no4)n23)ccc(Cl)c1C,OJHXHTXWVNJRKZ-UHFFFAOYSA-N,3,1,0.378,96,837,418.844,4.479,5,0.425,0.76,1.0,0.5376859022685216,0.545516071550956,0.42115859091220614,0.4388407237338085,0.48580032211637314
EOS-3-37232,CSc1cnc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cn1,ZMWVZLISAVCOQL-UHFFFAOYSA-N,3,1,0.354,39,972,416.445,3.566,5,0.411,0.71,1.0,0.22321122609827976,0.32471215132615994,0.28873106709615515,0.36627887053663216,0.30073332876430675
EOS-3-37233,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5ncccn5)cn4)n23)ccc1OC(F)(F)F,QNTFHGMEBMWBAK-UHFFFAOYSA-N,3,1,0.449,27,412,469.358,4.473,5,0.348,0.77,1.0,0.9304280035638407,0.9521965595229936,0.9619542868891783,0.9082910698375711,0.9382174799533959
EOS-3-37234,Fc1ccccc1-c1ncnnc1-c1nnc2cncc(-c3nnn(-c4cccc(Cl)c4)n3)n12,WDZJWLDDCUKHKC-UHFFFAOYSA-N,3,1,0.307,10,827,471.847,3.079,6,0.381,0.62,0.722,0.01634569255020218,0.18095058597765745,0.16282297306558838,0.39483243095058596,0.1887379206360085
EOS-3-37235,Cn1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1cccnc1,GVIHSAXXNXELBJ-UHFFFAOYSA-N,3,1,0.516,87,304,415.432,3.347,5,0.423,0.72,1.0,0.6066753478171476,0.5841786032485778,0.5471866218902063,0.5180505105887191,0.5640227708861627
EOS-3-37236,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)cc1C(F)(F)F,AVVIIZRFWUQHNQ-UHFFFAOYSA-N,3,1,0.376,96,680,436.372,5.073,5,0.369,0.77,1.0,0.4367675279281749,0.6557723939414708,0.9929751216503324,0.9863700226166815,0.7679712665341648
EOS-3-37237,Cc1nc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cc4)n23)ncc1F,ZNZSAOKHACQGCO-UHFFFAOYSA-N,3,1,0.4,96,558,416.847,5.016,5,0.413,0.83,1.0,0.3713847577273662,0.5455246384757727,0.7801384415050373,0.8599050784730313,0.6392382290453018
EOS-3-37238,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cc(Cl)ncc5C)n34)c2)nn1,KMMYMUITLNPLLD-UHFFFAOYSA-N,3,1,0.494,16,772,462.876,4.027,5,0.361,0.64,1.0,0.6524227263381537,0.6800167911726407,0.5635494482900418,0.5447707490919059,0.6101899287231856
EOS-3-37239,Clc1ccc(-c2ccncc2-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1,DFHTUXXAAZMWRF-UHFFFAOYSA-N,3,1,0.5,4,799,450.289,4.529,5,0.389,0.67,1.0,0.5864745390994449,0.7046638338701939,0.7091614693989445,0.8076725378658077,0.7019930950585977
EOS-3-37240,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)nn2)cn1,GIUZEOREMJIAOK-UHFFFAOYSA-N,3,1,0.266,10,620,436.414,3.03,6,0.388,0.56,1.0,0.015574669316702077,0.13038859570968406,0.3360633267082448,0.39484099787540267,0.21921689740250838
EOS-3-37241,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)nc5)n34)cn2)n1,QMUFKINHEBXUTO-UHFFFAOYSA-N,3,1,0.325,70,968,468.868,3.717,6,0.376,0.65,0.999,0.285175793297238,0.35327427866493044,0.19536872044410938,0.23713247892536496,0.2677378178329107
EOS-3-37242,Clc1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc(-c2nnco2)n1,RIVHBXQLHDKRLP-UHFFFAOYSA-N,3,1,0.301,76,191,453.853,4.014,6,0.364,0.63,0.996,0.1677917894592557,0.2737646494414365,0.36979130971146595,0.4327496401891577,0.31102434720032895
EOS-3-37244,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)nc1F,WLAZOIJQKCLEQD-UHFFFAOYSA-N,3,1,0.301,76,368,462.452,3.61,6,0.387,0.59,0.974,0.18744431498869166,0.26879583304776916,0.14710266602700295,0.1907340141182921,0.19851920704543896
EOS-3-37245,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ccn2)nc1,RWPHJWHJOAYEKW-UHFFFAOYSA-N,3,1,0.632,13,573,436.809,4.972,5,0.395,0.7,1.0,0.9292115002398739,0.8864025769309849,0.9289287917209239,0.9418905489685423,0.9216083544650813
EOS-3-37246,CCn1cncc1-c1cncc(-c2nnc3cncc(Oc4nc(Cl)cnc4Cl)n23)c1,XQRYAMJAXJXMFD-UHFFFAOYSA-N,3,1,0.32,2,905,454.281,3.959,5,0.393,0.64,0.892,0.4771691453635803,0.4683452128024124,0.33265369063121103,0.3662874374614488,0.41111387156466317
EOS-3-37247,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5cc(F)ccn5)n34)cc2)n1C,ILWOMRBALHDWJV-UHFFFAOYSA-N,3,1,0.31,98,725,465.496,4.102,6,0.389,0.63,1.0,0.18455726132547462,0.21264820779932836,0.4284062093071071,0.40095778219450345,0.30664236515660337
EOS-3-37249,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)[nH]2)nc1,DOYIGUPUCZQIMB-UHFFFAOYSA-N,3,1,0.312,70,407,419.412,2.49,6,0.457,0.6,0.68,0.08146288808169419,0.08196833664587759,0.07352991570145981,0.09634363648824618,0.08332619422931944
EOS-3-37250,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nn(-c5ncc(F)cn5)s4)n23)nc1,VAYAWJZCJLFFBC-UHFFFAOYSA-N,3,1,0.275,99,286,446.435,1.825,6,0.398,0.58,1.0,0.060002741415941335,0.11992838050853266,0.009740593516551299,0.01302172572133507,0.05067336029059009
EOS-3-37251,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccnnc4-c4ccc(F)cc4F)n23)nc1,BFHFKGDPDKAKJW-UHFFFAOYSA-N,3,1,0.286,10,314,468.431,3.384,6,0.387,0.59,1.0,0.17049037077650606,0.29954252621478994,0.47477897333972996,0.5447793160167227,0.37239779658693717
EOS-3-37252,Fc1cccc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)c1,KZXBZNIYZQFPGR-UHFFFAOYSA-N,3,1,0.549,57,962,431.858,5.225,5,0.357,0.81,1.0,0.8667843191008155,0.8810482489205674,0.9357309300253581,0.9481615379343431,0.907931258995271
EOS-3-37253,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1Cl,JTUBJJFJUADELE-UHFFFAOYSA-N,3,1,0.488,13,145,437.29,5.291,5,0.382,0.79,1.0,0.5506904941402234,0.689834487012542,0.8401326159961621,0.8838839010348846,0.741135374545953
EOS-3-37254,CCn1nc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1nc(C)nn1C,DSKJQYFWBHJZQH-UHFFFAOYSA-N,3,1,0.36,31,569,431.464,1.523,5,0.377,0.59,1.0,0.02893907203070386,0.0025272428209170035,0.0019960934822835993,0.0003855116167500514,0.00846197998766363
EOS-3-37255,Cc1nn(C)c(-c2ccncc2)c1-c1cncc2nnc(-c3ccc(-c4ccc(F)nc4)nc3)n12,YVEISSPJAAEWNG-UHFFFAOYSA-N,3,1,0.329,42,723,463.48,4.158,6,0.362,0.67,0.987,0.08349324926324446,0.20299328353094373,0.4211671578370228,0.42637584812555684,0.28350738468919195
EOS-3-37256,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)ncc1Cl,FYHCEJFUZAUYLI-UHFFFAOYSA-N,3,1,0.424,46,223,442.773,3.142,5,0.378,0.6,1.0,0.6092711260365979,0.5938506613665958,0.5769823864025769,0.6138287300390651,0.598483225961209
EOS-3-37257,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(CCO)c4)n23)cc1F,RQBJKPKKBKTRQE-UHFFFAOYSA-N,3,1,0.321,63,306,407.409,1.678,5,0.503,0.89,1.0,0.18456582825029128,0.1337810979370845,0.1209821122609828,0.1879925981769584,0.15683040915632923
EOS-3-37258,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5ccnc(CF)c5)c4)n23)n1,CFPWFFHWAUZVTK-UHFFFAOYSA-N,3,1,0.512,4,43,433.472,4.062,5,0.399,0.68,1.0,0.45990679185799466,0.4104756356658214,0.28873963402097186,0.23714104585018161,0.3490657768487424
EOS-3-37259,Clc1cccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)n1,YJIZKNBEHNTVSR-UHFFFAOYSA-N,3,1,0.33,32,687,453.853,4.014,6,0.364,0.67,1.0,0.1957113974367761,0.2841648961688712,0.2058974710437941,0.3121102049208416,0.24947099239257076
EOS-3-37260,c1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1,GMYVTTCSLZXXSO-UHFFFAOYSA-N,3,1,0.362,69,220,433.5,5.039,6,0.387,0.75,1.0,0.11316907682818175,0.152516962511137,0.46100335823452815,0.5315262833253376,0.3145539202247961
EOS-3-37261,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cc5)n34)cn2)cn1,GPMAZHYIVLAFQC-UHFFFAOYSA-N,3,1,0.31,42,327,433.5,5.039,6,0.387,0.75,1.0,0.14564628880816943,0.16415941333698855,0.6173840038379823,0.6400435199780686,0.39180830649030224
EOS-3-37262,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)c(F)cn4)n23)c1,KPWCTORMFMRONP-UHFFFAOYSA-N,3,1,0.484,26,448,449.877,4.441,5,0.381,0.64,1.0,0.4942772942224659,0.5001028030978,0.735324857789048,0.7143273250633952,0.6110080700431773
EOS-3-37263,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cc(-c4nccs4)cnn3)n12,JZCKXXBSEJFKDG-UHFFFAOYSA-N,3,1,0.412,54,873,454.878,3.514,5,0.384,0.6,0.987,0.5455332054005894,0.5227280515386197,0.284944486327188,0.38538311287780136,0.4346472140360496
EOS-3-37264,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncccc4-c4ccccc4)n23)cn1,HXGKWDDXOPPABO-UHFFFAOYSA-N,3,1,0.473,28,363,460.501,4.228,6,0.367,0.66,1.0,0.42067027619765607,0.2841734630936879,0.362466588993215,0.3372798300322116,0.35114753957919265
EOS-3-37265,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)ccn2)cn1,TULOTHBYAJOFAH-UHFFFAOYSA-N,3,1,0.394,53,52,465.399,3.34,5,0.385,0.61,1.0,0.6263278733465835,0.5408899321499554,0.7353334247138648,0.5414296484134056,0.6109952196559523
EOS-3-37266,Cc1cc(-c2cc(Cl)cnc2-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cnn1,RLTJXSDVRDPKCH-UHFFFAOYSA-N,3,1,0.283,52,582,482.935,4.164,6,0.4,0.78,1.0,0.1788431224727572,0.21265677472414501,0.24134740593516552,0.3500531149338633,0.24572510451648277
EOS-3-37267,Clc1cccc(CCOc2cncc3nnc(-c4cnnc(-c5cccnn5)c4)n23)n1,INFXAZGKCBXVEM-UHFFFAOYSA-N,3,1,0.473,53,778,431.847,2.708,5,0.374,0.58,0.969,0.5805547940511274,0.6508635460215201,0.2022308272222603,0.2667911726406689,0.4251100849838942
EOS-3-37269,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)s2)n(C)n1,YYLWHZLUXKZAIU-UHFFFAOYSA-N,3,1,0.282,76,957,450.531,4.686,6,0.387,0.71,0.971,0.025289562058803373,0.04519052840792269,0.32513193064217666,0.3121187718456583,0.17693269823864025
EOS-3-37270,Cc1nc(C)c(CCOc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(Cl)n1,VEAYDWDJXWNPBI-UHFFFAOYSA-N,3,1,0.593,68,127,431.834,3.806,4,0.429,0.6,1.0,0.8039887601946405,0.8988246179151532,0.4714721403604962,0.43596223699540815,0.6525619388664244
EOS-3-37271,O=c1[nH]cc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1nccs1,UXBCANDUEUCZCQ-UHFFFAOYSA-N,3,1,0.5,35,161,435.444,2.759,5,0.437,0.58,1.0,0.3784182030018505,0.19843567952847646,0.354987663628264,0.35318004249194707,0.3212553971626345
EOS-3-37272,Fc1cc(-c2nnc3cncc(Cc4cc(-c5cccnn5)ncn4)n23)ccc1-c1cncnc1,OCBJYHWRBIGOOD-UHFFFAOYSA-N,3,1,0.305,94,809,462.452,3.225,6,0.38,0.57,1.0,0.37139332465218283,0.38669385237475157,0.4681139058323624,0.48250633952436434,0.4271768555959153
EOS-3-37273,Cn1nncc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)nn1,BMKUIPGRMPYOIS-UHFFFAOYSA-N,3,1,0.318,99,312,440.406,1.764,6,0.376,0.55,0.998,0.0023644712494003154,0.12714173120416694,0.12099067918579946,0.1660955383455555,0.10414810499623056
EOS-3-37274,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5nncc(Cl)n5)c4)n23)ccc1Cl,BXRNDZIWVNEYQE-UHFFFAOYSA-N,3,1,0.506,16,772,465.304,4.233,5,0.38,0.64,1.0,0.8223305462271263,0.8523747515591803,0.6258995271057501,0.6835035295730245,0.7460270886162703
EOS-3-37275,c1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cnnnc6)[nH]5)n34)cc2)ccn1,XFLPTXSEOXDCGF-UHFFFAOYSA-N,3,1,0.329,98,407,419.412,2.49,6,0.457,0.59,0.983,0.058195120279624424,0.10097834281406347,0.24856932355561648,0.31212733877047494,0.17996753135494484
EOS-3-37276,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)s1,XPVKIJQIMHCLKK-UHFFFAOYSA-N,3,1,0.525,20,846,416.47,3.03,5,0.416,0.69,1.0,0.45546912480296076,0.4286803509012405,0.07353848262627648,0.0667706120211089,0.2561146425878966
EOS-3-37277,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5nnc(C)n5C)n4)n23)nn1,WZUQBEQAGMWQFW-UHFFFAOYSA-N,3,1,0.347,53,105,415.421,1.363,5,0.414,0.67,1.0,0.18457439517510793,0.10760914262216435,0.00465184017545062,0.0017305188129668975,0.07464147419642245
EOS-3-37278,Cn1cnc(-c2ccc(F)c(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cc1=O,GDRKFRMJQWEUDN-UHFFFAOYSA-N,3,1,0.44,13,145,466.835,4.276,5,0.393,0.67,1.0,0.6007898704680967,0.6604842025906381,0.8893067644438353,0.9013861284353368,0.7629917414844767
EOS-3-37279,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)c(Cl)c2)nn1,PNUXFMMGOYIIQW-UHFFFAOYSA-N,3,1,0.506,16,256,452.887,3.341,5,0.382,0.63,1.0,0.6584881091083544,0.7092814063463779,0.21989582619422932,0.22499314646014668,0.45316462202727703
EOS-3-37280,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)ccn2)cn1,VHKRUBCIKODKAN-UHFFFAOYSA-N,3,1,0.646,75,796,414.494,4.24,5,0.414,0.81,1.0,0.7983431567404564,0.6311339181687341,0.39230518812966897,0.3308289356452608,0.53815279967103
EOS-3-37281,Cc1c[nH]c(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)cn2)n1,OEMSPEUPJLMRSO-UHFFFAOYSA-N,3,1,0.457,4,464,416.42,3.306,5,0.468,0.7,1.0,0.5276368994585704,0.5734956480021931,0.35499623055308066,0.2667997395654856,0.43073212939483246
EOS-3-37282,Cc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccc6ccccc6n5)c4)n23)cn1,BTRKQVCLLZTMEU-UHFFFAOYSA-N,3,1,0.394,28,891,431.459,4.897,6,0.392,0.72,1.0,0.4554776917277774,0.3627835652114317,0.6023147830854636,0.5738554588444932,0.4986078747172915
EOS-3-37283,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c(F)c1,NKMUFOCNMCDIFV-UHFFFAOYSA-N,3,1,0.68,43,96,452.852,4.702,5,0.386,0.69,1.0,0.8754026454663834,0.9059008978137207,0.9444520594887259,0.9411623603591255,0.9167294907819888
EOS-3-37284,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5ccc(Cl)nn5)n4)n23)cc1,VRLXJLZRXFOVMM-UHFFFAOYSA-N,3,1,0.31,39,972,471.847,3.079,6,0.381,0.61,0.653,0.028947638955520525,0.18507984373929134,0.16926530052772257,0.33083750257007744,0.178532571448153
EOS-3-37285,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ncn2)cc1F,CPPDUQZVIZRBII-UHFFFAOYSA-N,3,1,0.535,46,238,419.445,3.731,5,0.429,0.67,0.944,0.5609965046946748,0.527208553217737,0.43225275854979095,0.38539167980261807,0.4764623740662052
EOS-3-37286,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nc(C)c(F)[nH]5)c(F)c4)n23)n1,KDVCZYUWMCVPDR-UHFFFAOYSA-N,3,1,0.536,4,677,439.451,4.112,5,0.443,0.62,1.0,0.532545747378521,0.6362569392091015,0.4284147762319238,0.3854002467274347,0.49565442738674526
EOS-3-37287,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,KNODKNWPNLYWNV-UHFFFAOYSA-N,3,1,0.595,11,0,418.457,4.07,5,0.414,0.72,1.0,0.8013672812007402,0.8321054074429443,0.4747875402645466,0.46741141799739566,0.6439179117264067
EOS-3-37288,Cc1ncc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5ccns5)n34)c2)cn1,CSLNPDWPIRUUFI-UHFFFAOYSA-N,3,1,0.482,16,969,435.9,4.246,5,0.407,0.66,1.0,0.6007984373929134,0.67490233705709,0.4888544308135152,0.49156157905558223,0.5640291960797752
EOS-3-37289,Fc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2F)cn1,OANZQSLJWWOHJB-UHFFFAOYSA-N,3,1,0.542,73,89,451.824,4.154,5,0.371,0.66,1.0,0.9634020971831951,0.9407254471934754,0.8999725858405867,0.90024672743472,0.9260867144129944
EOS-3-37290,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1cccnc1F,ZRLUZFPHUSSRQI-UHFFFAOYSA-N,3,1,0.511,4,390,451.824,4.154,5,0.371,0.66,0.999,0.7526643136179837,0.917937427181139,0.7908128298266054,0.8076811047906244,0.8172739188540881
EOS-3-37291,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)nc1,WDMCGWBJRGSDOP-UHFFFAOYSA-N,3,1,0.424,46,62,421.371,2.234,5,0.398,0.62,0.997,0.4745990679185799,0.3627921321362484,0.4714807072853129,0.42010485915975604,0.4322441916249743
EOS-3-37292,Fc1cc(Oc2cncc3nnc(-c4cc(-c5cncs5)ncn4)n23)ccc1Cl,WHDPSAWQBWZZLZ-UHFFFAOYSA-N,3,1,0.518,44,971,425.836,4.29,5,0.424,0.68,0.999,0.6919248166678089,0.6457833596052361,0.6775580837502571,0.7356589678568981,0.68773130697005
EOS-3-37293,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)cn2)o1,RIZGZRMXTUYRAR-UHFFFAOYSA-N,3,1,0.543,87,76,451.849,3.959,5,0.357,0.68,1.0,0.857720512644781,0.8286529367418272,0.5671475567130423,0.5280224110753204,0.6953858542937427
EOS-3-37294,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5c(C)noc5C)cn4)n23)c(F)n1,RVUBDKPPXIISLT-UHFFFAOYSA-N,3,1,0.506,4,205,431.431,3.88,5,0.386,0.69,1.0,0.5506990610650401,0.5598999383181413,0.32878144061407716,0.22500171338496333,0.4160955383455555
EOS-3-37295,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)cn2)[nH]c1F,YYCXYQYERHKZOH-UHFFFAOYSA-N,3,1,0.436,7,239,437.826,3.046,5,0.416,0.63,1.0,0.5480347474470564,0.6508721129463367,0.30313206771297374,0.2933315057227058,0.4488426084572681
EOS-3-37296,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5ccncc5)ns4)n23)cc1,OQFBRSLPJPMRPZ-UHFFFAOYSA-N,3,1,0.506,40,2,467.518,3.684,6,0.365,0.69,1.0,0.4070488657391543,0.2581814131999178,0.22327119457199643,0.20180248098142692,0.2725759886231238
EOS-3-37297,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(OC(C)C(F)F)nn4)n23)cc1,CYYBJHDMHJSDFL-UHFFFAOYSA-N,3,1,0.337,66,437,414.376,1.492,4,0.509,0.65,1.0,0.4298968542252073,0.36280069906106505,0.4681224727571791,0.2844390377630046,0.386314765951614
EOS-3-37298,CCc1nc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1ncccn1,ILPASNAHHPRVRV-UHFFFAOYSA-N,3,1,0.421,46,717,462.876,3.972,5,0.373,0.63,1.0,0.6405661023918854,0.6702419299568227,0.3512439174833802,0.38230758686861765,0.5110898841751765
EOS-3-37299,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)nc2)n1,PDJOMWKCQDXXHT-UHFFFAOYSA-N,3,1,0.356,6,318,462.477,3.54,6,0.378,0.63,0.998,0.3622781166472483,0.20772222602974436,0.1885494482900418,0.1337553971626345,0.22307629703241724
EOS-3-37300,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)s4)n23)cc1,RWTTVLHCPDYBHY-UHFFFAOYSA-N,3,1,0.309,64,176,440.467,4.506,6,0.433,0.62,0.759,0.24248680693578234,0.33370742238366113,0.41745767939140566,0.5212631073949695,0.3787287540264547
EOS-3-37301,Fc1ccccc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c1,GZKXFCJAXCHLHK-UHFFFAOYSA-N,3,1,0.511,88,503,448.408,4.287,5,0.386,0.62,1.0,0.8513124528819135,0.7678534713179357,0.8940699746419025,0.9037677335343705,0.8542509080940306
EOS-3-37302,Cc1nc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)c2)n(C)n1,XMMWGAKLQATZDJ-UHFFFAOYSA-N,3,1,0.366,9,774,462.492,4.763,6,0.375,0.73,1.0,0.18745288191350834,0.29465081214447264,0.5601997806867247,0.6106247001576314,0.4132320437255843
EOS-3-37303,Cc1scnc1CCOc1cncc2nnc(-c3cccc(-c4nncs4)c3)n12,ZMMMOOFKIBCLFZ-UHFFFAOYSA-N,3,1,0.519,15,628,421.511,3.696,5,0.413,0.72,1.0,0.5249554519909533,0.5090038379823179,0.06306113357549174,0.06677917894592557,0.2909499006236721
EOS-3-37304,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4nnc(-c5ccon5)cc4F)n23)cc1,BSIHRWDTEVQVDB-UHFFFAOYSA-N,3,1,0.396,67,622,455.413,3.568,6,0.384,0.61,1.0,0.5895586320334453,0.49557089986978275,0.3102854499348914,0.2755465698033034,0.4177403879103557
EOS-3-37305,COc1ccc(-c2nnc3cncc(-c4cc(-c5ccccc5F)ccc4F)n23)cn1,KAVZKNWFCKSDAD-UHFFFAOYSA-N,3,1,0.371,83,405,415.403,4.807,5,0.422,0.86,1.0,0.49946028373654994,0.6946662326091426,0.9313189637447742,0.9215184017545062,0.7617409704612432
EOS-3-37306,c1cc(-c2ncon2)cc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)n1,WGEQRUUJEZPWON-UHFFFAOYSA-N,3,1,0.484,80,34,454.475,3.939,6,0.369,0.7,1.0,0.3830100747035844,0.37251559180316635,0.2959615516414228,0.26380131587965183,0.3288221335069563
EOS-3-37307,CCn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)cc1Cl,ICQUOXVXQNOMAF-UHFFFAOYSA-N,3,1,0.633,13,573,453.84,4.794,5,0.38,0.71,1.0,0.6289921869645672,0.7719741621547529,0.7615225138784182,0.820531492015626,0.7457550887533411
EOS-3-37308,CC(C)(O)c1cnc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cn1,UDONICSVZMEQDH-UHFFFAOYSA-N,3,1,0.366,7,535,442.443,1.635,5,0.409,0.59,0.999,0.36228668357206495,0.24842368583373312,0.19201905284079226,0.0702316496470427,0.21824026797340823
EOS-3-37309,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccccn5)n34)n(C)n2)n(C(F)F)n1,PJDPVEOHMHKTTQ-UHFFFAOYSA-N,3,1,0.473,31,105,438.402,2.461,5,0.397,0.56,0.991,0.31939209101500926,0.309625796724008,0.0670361866904256,0.05057912411760675,0.1866582996367624
EOS-3-37310,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)nc5)n34)o2)nc1,QBKQSYGUKZQHED-UHFFFAOYSA-N,3,1,0.304,76,368,418.42,3.965,6,0.423,0.7,0.996,0.036495099719004866,0.04152388458638887,0.4433640600370091,0.4359708039202248,0.23933846206565693
EOS-3-37311,COc1ncc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccc(F)nc1,XNHUAGULMKAKFS-UHFFFAOYSA-N,3,1,0.505,35,657,461.432,3.552,5,0.339,0.69,1.0,0.8013758481255568,0.7719827290795696,0.7017253786580769,0.5983911315194298,0.7183687718456583
EOS-3-37312,Fc1cncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccccc5F)c4)n23)c1,YOFNFUPTBMFPBJ-UHFFFAOYSA-N,3,1,0.605,88,222,447.42,4.892,5,0.371,0.73,1.0,0.9861986841203482,0.9759183743403468,0.9491981358371598,0.9547238023439106,0.9665097491604413
EOS-3-37313,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)n2)cc1,RFJQNIBJMWEALU-UHFFFAOYSA-N,3,1,0.347,10,871,457.91,4.211,6,0.391,0.62,0.947,0.034970187101637996,0.21754848879446234,0.31792714687135903,0.43597937084504146,0.2516062984031252
EOS-3-37314,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(Cl)c4)n23)n1,AOHWJIBQUCWMOS-UHFFFAOYSA-N,3,1,0.556,73,82,453.89,4.385,5,0.39,0.71,1.0,0.7103180042491947,0.7549688163936673,0.4174662463162223,0.4610290590089781,0.5859455314920156
EOS-3-37315,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cc(C)n2)n1,QRYHLARTJYXVJW-UHFFFAOYSA-N,3,1,0.488,7,464,430.497,3.604,5,0.417,0.63,1.0,0.27982146528682067,0.24341203481598245,0.07990370776506066,0.04523336303200603,0.16209264272496743
EOS-3-37316,Fc1ccccc1-c1ncsc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,PYBXGYTTYWZCFO-UHFFFAOYSA-N,3,1,0.432,44,692,438.875,4.681,5,0.396,0.71,1.0,0.7257042012199301,0.7632444657665685,0.5958724556233295,0.7058032348708108,0.6976560893701597
EOS-3-37317,Cc1cnc(-c2cc(F)c(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cn2)cn1,FSWRPMRESJTXRA-UHFFFAOYSA-N,3,1,0.444,7,662,431.435,2.712,5,0.418,0.56,1.0,0.4092248646425879,0.39133712562538553,0.17890309094647386,0.1252912754437667,0.2761890891645535
EOS-3-37318,Cc1ccc(-c2nnc3cncc(-c4ncnc(OCCc5ccc(F)c(C#N)c5F)n4)n23)cn1,YRJLCSVCRRWFFD-UHFFFAOYSA-N,3,1,0.367,29,849,471.431,3.118,5,0.367,0.64,1.0,0.6205194983208827,0.6174868069357823,0.5671561236378589,0.49469707353848263,0.5749648756082517
EOS-3-37319,Fc1cnc(F)c(-c2cc(-c3nnc4cncc(Cc5ccc(Cl)cn5)n34)ncn2)c1,TXDOUZRZLNDVQF-UHFFFAOYSA-N,3,1,0.333,85,674,436.813,3.561,5,0.397,0.57,0.987,0.3216965937906929,0.36782948392844905,0.67497943938044,0.7563138235898842,0.5302048351723665
EOS-3-37320,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)cc1,OIPZPLOXSNWTCB-UHFFFAOYSA-N,3,1,0.554,15,320,450.865,3.396,5,0.366,0.6,1.0,0.772899390034953,0.754977383318484,0.5268230416009869,0.5280309780001371,0.6456826982386402
EOS-3-37321,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cnn2)s1,VTYSHOSWASEEOZ-UHFFFAOYSA-N,3,1,0.429,53,587,438.864,2.431,5,0.403,0.56,0.36,0.3668785552737989,0.47722911383729694,0.035981084230004796,0.0559677198272908,0.23401411829209784
EOS-3-37322,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5nncc(C(F)F)n5)cnn4)n23)cc1,VBUJTPSZUDRCFV-UHFFFAOYSA-N,3,1,0.309,74,295,486.446,2.93,6,0.384,0.8,1.0,0.13492049893770133,0.11364025769309849,0.2059060379686108,0.24291515317661572,0.1743454869440066
EOS-3-37323,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3ccn(C)n3)n12,DBAMYTVWWVIHCZ-UHFFFAOYSA-N,3,1,0.432,31,456,431.46,1.95,5,0.385,0.59,1.0,0.2480039065177164,0.11079603865396477,0.05716708930162429,0.020697690357069427,0.10916618120759372
EOS-3-37324,COc1ncc(F)cc1Cc1cncc2nnc(-c3ccc(C)nc3-c3cccc(C)n3)n12,NSIANRSFWIHZKY-UHFFFAOYSA-N,3,1,0.356,14,81,441.47,3.999,5,0.407,0.58,0.768,0.45548625865259407,0.5272171201425536,0.3326622575560277,0.2429237201014324,0.389572339113152
EOS-3-37325,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ncc(F)cn1,QNMOLKWCRKUAFX-UHFFFAOYSA-N,3,1,0.451,31,569,451.853,2.791,5,0.362,0.61,1.0,0.5119508601192516,0.41048420259063806,0.21626345007196218,0.2755551367281201,0.353563412377493
EOS-3-37326,Fc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c1F,HABYRNQUNGPHTE-UHFFFAOYSA-N,3,1,0.5,11,490,436.447,4.21,5,0.397,0.63,1.0,0.7346309368788979,0.6847971352203414,0.617392570762799,0.6224813241038997,0.6648254917414845
EOS-3-37327,Clc1ccnc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)c1,CYDUSKXETQOFMO-UHFFFAOYSA-N,3,1,0.536,24,267,415.844,3.876,5,0.43,0.66,1.0,0.40705743266397093,0.49061921732574876,0.5302840792269207,0.5833904461654444,0.5028377938455213
EOS-3-37329,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)nc2)c1F,GYVLZIKPGXMKFP-UHFFFAOYSA-N,3,1,0.329,64,449,467.443,3.989,6,0.387,0.63,1.0,0.16243746144883833,0.20773079295456104,0.5471951888150229,0.5983996984442465,0.3789407854156672
EOS-3-37331,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5nccn5C)nn4)n23)cc1,BJOCLWJCSIINRG-UHFFFAOYSA-N,3,1,0.488,36,677,416.42,3.008,5,0.435,0.64,1.0,0.6263364402714002,0.5938592282914125,0.24135597285998217,0.23116989925296416,0.42318038516893974
EOS-3-37332,Cc1ccc(-c2cc(-c3nnc4cncc(CCc5cccc(Cl)c5)n34)ccn2)nc1,IYXQNUICSQEBRY-UHFFFAOYSA-N,3,1,0.448,14,886,426.911,4.995,5,0.395,0.79,1.0,0.3170190528407923,0.3678380508532657,0.64998971969022,0.7003718045370434,0.5088046569803304
EOS-3-37333,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3cnc(-c4ccoc4)cn3)n12,XVOKSLKBQAZXLT-UHFFFAOYSA-N,3,1,0.466,27,343,438.369,4.497,5,0.386,0.71,1.0,0.7843448015900213,0.8208998697827428,0.9170550339250223,0.8838924679597012,0.8515480433143718
EOS-3-37334,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)c2)s1,QFSKQMOTPFEIHM-UHFFFAOYSA-N,3,1,0.533,15,628,447.499,4.082,5,0.387,0.62,1.0,0.6554211500239874,0.6557809608662875,0.30661880611335757,0.26076005756973475,0.4696452436433418
EOS-3-37335,Cn1nc(-c2nnc3cncc(OCCc4cnccc4C#N)n23)cc1-c1ccccn1,VCRSTNBGRDITJN-UHFFFAOYSA-N,3,1,0.451,31,493,423.44,2.475,5,0.408,0.61,0.997,0.42773798917140704,0.18095915290247414,0.23426255911178123,0.2223202659173463,0.26631999177575216
EOS-3-37336,Cc1cnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)cn1,NKYCETOVIWVQCJ-UHFFFAOYSA-N,3,1,0.643,11,159,460.9,4.971,5,0.356,0.75,1.0,0.8488794462339798,0.9059094647385375,0.8228359947913098,0.8264426701391269,0.8510168939757385
EOS-3-37337,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)nc1,FGTQSPLORMOMLG-UHFFFAOYSA-N,3,1,0.329,32,479,462.904,5.026,6,0.362,0.77,1.0,0.3040315948187239,0.3532828455897471,0.5926512918922624,0.6486618463436364,0.47465689466109245
EOS-3-37338,FCc1cnc(COc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)cn1,JRXHORAHYCUJCS-UHFFFAOYSA-N,3,1,0.443,2,535,415.392,2.482,5,0.412,0.69,1.0,0.4182629703241724,0.40577239394147074,0.3031406346377904,0.2638098828044685,0.3477464704269755
EOS-3-37339,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)ncn1,IGQWKTJPGMIHJP-UHFFFAOYSA-N,3,1,0.419,31,105,436.386,2.288,5,0.394,0.55,0.968,0.4253735179220067,0.32472071825097665,0.31793571379617575,0.2785792611884038,0.33665230278939073
EOS-3-37340,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ncn(C)n5)c4)n23)ccc1F,DIIWQNBANKNORH-UHFFFAOYSA-N,3,1,0.517,7,486,417.408,2.403,5,0.429,0.66,0.995,0.4005465698033034,0.4152131450894387,0.1854310876567747,0.13821019806730175,0.2848502501542046
EOS-3-37341,COc1ncc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccccn1,WIGFCWVSUFBSIB-UHFFFAOYSA-N,3,1,0.479,87,657,443.442,3.413,5,0.377,0.62,0.996,0.7582499485984511,0.6262850387225002,0.3960746350490028,0.3213282160235762,0.5254844595983825
EOS-3-37342,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)[nH]n2)no1,DGYBBEOJSKKAAQ-UHFFFAOYSA-N,3,1,0.375,7,963,427.787,2.639,5,0.42,0.63,1.0,0.5301041738057707,0.37743300664793367,0.24136453978479885,0.2872061544787883,0.3590269686793229
EOS-3-37343,COc1cc(-c2nnc3cncc(-c4ocnc4-c4cccc(F)c4F)n23)ccc1Cl,AIJULNYCOPWTQV-UHFFFAOYSA-N,3,1,0.357,45,46,439.809,5.054,5,0.39,0.75,1.0,0.7468473716674663,0.8170704543896923,0.9335634980467411,0.9351312452881914,0.8581531423480228
EOS-3-37344,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(C#N)cc5)cn4)n23)nc1,OSMQLEPISHTYTF-UHFFFAOYSA-N,3,1,0.338,32,714,469.512,4.496,6,0.374,0.7,0.999,0.08147145500651086,0.08861627030361181,0.6318192721540675,0.5925227880200123,0.3486074463710506
EOS-3-37345,CCn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)ncn2)n1,OCJDHOIPHHLNGM-UHFFFAOYSA-N,3,1,0.439,36,463,448.878,2.796,5,0.385,0.6,0.999,0.3194006579398259,0.554725515728874,0.06115070934137482,0.09436467685559592,0.25741038996641763
EOS-3-37346,c1nc(-c2cncs2)nc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)n1,LHVRKQNSDNQFMF-UHFFFAOYSA-N,3,1,0.303,42,136,441.505,3.89,6,0.405,0.57,1.0,0.17586183263655678,0.2126653416489617,0.12362072510451648,0.15828250291275445,0.16760760057569735
EOS-3-37347,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,ODHLVWGJHBVZDB-UHFFFAOYSA-N,3,1,0.426,18,116,414.404,2.799,5,0.391,0.73,1.0,0.5697776026317593,0.5504249194709068,0.3777756836406004,0.3727468987732164,0.46768127612912064
EOS-3-37348,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)n(C)n1,IIOCIRDQFJEZTG-UHFFFAOYSA-N,3,1,0.383,46,662,416.42,3.008,5,0.406,0.71,1.0,0.3144575423206086,0.3200603111507093,0.3550047974778973,0.2963299294085395,0.3214631450894387
EOS-3-37349,Cc1ncnc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1,FSRKIDGQFCYMSL-UHFFFAOYSA-N,3,1,0.311,30,945,456.513,4.989,6,0.369,0.74,0.824,0.11317764375299842,0.08197690357069426,0.4468507984373929,0.42324035364265644,0.2663114248509355
EOS-3-37350,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5Cl)n34)nc2)o1,OFJKMFPBNGOFJL-UHFFFAOYSA-N,3,1,0.456,87,699,433.859,3.82,5,0.398,0.61,1.0,0.5805633609759441,0.5983054622712631,0.3141062984031252,0.32133678294839285,0.4535779761496813
EOS-3-37351,Cc1cnncc1CCOc1cncc2nnc(-c3cc(-c4cccnc4F)ccn3)n12,ZPXHRNGAMHFXDJ-UHFFFAOYSA-N,3,1,0.429,18,840,428.431,3.107,5,0.38,0.63,1.0,0.7009543554245768,0.5938677952162292,0.417474813241039,0.3823161537934343,0.5236532794188198
EOS-3-37352,Fc1nccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,SOHYEQGJKMHWNW-UHFFFAOYSA-N,3,1,0.6,57,798,450.836,4.759,5,0.359,0.75,1.0,0.9769121376190802,0.9858645740524982,0.9344116236035912,0.9385494482900418,0.958934445891303
EOS-3-37353,Cc1ccc(-c2nnc3cncc(-c4c(-c5cnc(F)cn5)nc(C)n4C(C)C)n23)cn1,MWGQYZNPVMMOED-UHFFFAOYSA-N,3,1,0.39,50,974,429.463,3.844,5,0.428,0.6,0.507,0.18191008155712426,0.30963436364882463,0.17251216503323966,0.1206908368172161,0.19618686176410116
EOS-3-37354,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnn2)c(C)n1,LXVAPKRKLRBTSD-UHFFFAOYSA-N,3,1,0.533,87,778,425.456,2.672,5,0.405,0.57,1.0,0.47202042354876295,0.32904701528339386,0.0897385374545953,0.06342951134260846,0.23855887190734013
EOS-3-37355,CCc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(C)ns5)n34)cc2F)no1,DMNKFCLKAWMMCV-UHFFFAOYSA-N,3,1,0.578,16,256,437.46,3.887,5,0.394,0.67,1.0,0.6092796929614146,0.6262936056473168,0.11216674662463162,0.11136145569186484,0.364775375231307
EOS-3-37356,CCn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(C)cnc4F)n23)cnn1,RFQJGRLOEUNBOX-UHFFFAOYSA-N,3,1,0.386,92,65,431.435,2.886,5,0.378,0.62,1.0,0.38765334795421835,0.3290555822082105,0.19537728736892604,0.1502809951339867,0.2655918031663354
EOS-3-37357,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)cn1,BGBXPCIMRVAERY-UHFFFAOYSA-N,3,1,0.516,15,561,448.939,4.893,5,0.368,0.75,1.0,0.8276163388390103,0.8492478240010966,0.5059882804468508,0.5112483722842849,0.6735252038928107
EOS-3-37358,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccc2OC)cn1,MUGKTUGUBZESDK-UHFFFAOYSA-N,3,1,0.494,16,256,433.497,3.719,5,0.386,0.64,1.0,0.25065108628606675,0.18932903844835858,0.2814320471523542,0.1609810842300048,0.22059831402919608
EOS-3-37359,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5ccncc5)n4)n23)cc1,DSJRIFZZDGWMOJ-UHFFFAOYSA-N,3,1,0.512,40,609,467.518,3.684,6,0.365,0.71,1.0,0.3415461585909122,0.2995510931396066,0.1854396545815914,0.16098965115482147,0.2468816393667329
EOS-3-37360,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnnc(C)c5)cn4)n23)cn1,ZQLWODNJWBEQMX-UHFFFAOYSA-N,3,1,0.243,70,813,475.52,3.601,6,0.367,0.69,0.999,0.060011308340758004,0.026488931533136865,0.0535175793297238,0.05058769104242341,0.04765137756151052
EOS-3-37361,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)ncn1,CZJPCULPZOMCGL-UHFFFAOYSA-N,3,1,0.527,35,429,461.888,4.366,5,0.371,0.65,1.0,0.8535227194846138,0.8355150435199781,0.7377407305873483,0.7329689534644644,0.7899368617641012
EOS-3-37362,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6)nn5)n34)cn2)nc(C)n1,XJNTUDGHHAYXOR-UHFFFAOYSA-N,3,1,0.306,10,37,464.468,3.647,6,0.389,0.59,1.0,0.02529812898362004,0.15647488177643754,0.2922092385717223,0.30598485367692413,0.19499177575217602
EOS-3-37363,Cc1ncc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)n2)s1,AZIYRKSRIWDBLU-UHFFFAOYSA-N,3,1,0.27,86,812,451.479,2.927,6,0.394,0.57,1.0,0.06348091289150846,0.09768864368446302,0.035989651154821466,0.04017887739017202,0.05933452128024125
EOS-3-37364,Fc1ccc(Oc2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)nc6)c5)n34)cn2)cc1,LTPPPLIIKBYOML-UHFFFAOYSA-N,3,1,0.37,10,673,468.427,4.505,6,0.344,0.79,1.0,0.0882735933109451,0.4012147899390035,0.8075440339935577,0.7902645466383387,0.5218242409704612
EOS-3-37365,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nc(C)n[nH]1,AMCRXNAKRSSBMZ-UHFFFAOYSA-N,3,1,0.354,51,924,448.878,2.865,5,0.416,0.58,0.912,0.41367966554725516,0.44187341511890893,0.03722328832842163,0.04018744431498869,0.23324095332739359
EOS-3-37366,CCn1nc(-c2ccc(F)c(Cl)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,DBTBQNVVLBEIIO-UHFFFAOYSA-N,3,1,0.423,45,316,454.296,5.183,5,0.374,0.79,1.0,0.34631793571379615,0.5547340826536906,0.5958810225481461,0.8123843465149749,0.5773293468576519
EOS-3-37367,Cn1cc(-c2cc(Cc3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)ncn2)cn1,WGGSRKLWEYINKQ-UHFFFAOYSA-N,3,1,0.306,94,165,447.466,2.425,6,0.392,0.56,1.0,0.054639846480707285,0.056173326022890824,0.21627201699677884,0.17410561304913988,0.12529770063737922
EOS-3-37368,Cc1cnc(Cc2ncnc(-c3cncc4nnc(-c5ccc(-c6ccc(C)nn6)cc5)n34)n2)cn1,IGOMUCZNKFIOBO-UHFFFAOYSA-N,3,1,0.286,98,424,473.504,3.098,6,0.368,0.63,1.0,0.14875608251661984,0.08198547049551093,0.08487252415872798,0.07024021657185936,0.09646357343567953
EOS-3-37369,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1ccccn1,NLIZSSVOGUHFLP-UHFFFAOYSA-N,3,1,0.563,88,265,464.863,4.801,5,0.359,0.73,1.0,0.9742906586251799,0.9666746624631622,0.9010777191419368,0.9138424371187719,0.9389713693372628
EOS-3-37370,Fc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ncc(Cl)cn1,JVKUWXFZPCXCDC-UHFFFAOYSA-N,3,1,0.483,18,262,448.849,3.452,5,0.364,0.59,1.0,0.8488880131587965,0.8321139743677609,0.4136282639983552,0.45482660544171066,0.6373642142416558
EOS-3-37371,Cc1nc(-c2ccncc2)c(-c2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)n1C,VQAVAWCDZNVEJX-UHFFFAOYSA-N,3,1,0.313,98,882,466.484,3.497,6,0.392,0.62,1.0,0.15953327393598793,0.25818998012473443,0.20945274484271126,0.22232883284216298,0.21237620793639914
EOS-3-37372,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ncccc5F)s4)n23)cc1,QDUVKMBDIIIOEV-UHFFFAOYSA-N,3,1,0.356,74,124,474.525,4.039,5,0.418,0.68,1.0,0.16780035638407237,0.19844424645329312,0.17252073195805634,0.09241998492221232,0.1577963299294085
EOS-3-37373,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)cn1,PAWVLABQIPWHNT-UHFFFAOYSA-N,3,1,0.494,97,962,450.836,4.759,5,0.359,0.73,1.0,0.8535312864094304,0.8785124391748338,0.9404598725241587,0.941899115893359,0.9036006785004456
EOS-3-37374,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)nc1,MMBFIMXCKFYPIS-UHFFFAOYSA-N,3,1,0.489,59,666,450.836,4.759,5,0.359,0.73,1.0,0.8975053114933863,0.8785210060996504,0.9245853608388733,0.9297512165033239,0.9075907237338086
EOS-3-37375,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4c(F)cnc(F)c4Cl)n23)c1,VIYWFBOONCMNMZ-UHFFFAOYSA-N,3,1,0.438,2,184,454.828,3.492,5,0.375,0.6,1.0,0.6150109656637653,0.6078918511411144,0.7067455966006443,0.70038037146186,0.657507196216846
EOS-3-37376,Clc1cncc(-c2cc(-c3nnc4cncc(-c5ccc(Cl)nc5)n34)ccn2)c1,XGTZOCJIZGHVNY-UHFFFAOYSA-N,3,1,0.351,82,478,420.263,4.617,5,0.397,0.76,1.0,0.26907854156671923,0.43773559043245835,0.8208998697827428,0.8894524021657186,0.6042916009869097
EOS-3-37377,Cc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3ccc(Cl)c(F)c3)n12,STCRXKUXYMWHKE-UHFFFAOYSA-N,3,1,0.671,59,96,448.889,4.872,5,0.383,0.71,1.0,0.8346926187375779,0.8131725035981084,0.8635460215201152,0.8364488383249948,0.8369649955451992
EOS-3-37378,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(Cl)n5)cn4)n23)cc1,MLMKBECZRRHEAM-UHFFFAOYSA-N,3,1,0.483,27,343,466.839,4.208,5,0.366,0.67,1.0,0.8577290795695977,0.8553817421698308,0.7996881639366733,0.7810551024604208,0.8234635220341306
EOS-3-37379,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)n(C)n1,KFGWCTHQGPDTBV-UHFFFAOYSA-N,3,1,0.467,2,422,432.875,3.523,5,0.419,0.59,1.0,0.41588993214995545,0.4418819820437256,0.4610119251593448,0.4295798780069906,0.4370909293400041
EOS-3-37380,Cc1nccnc1CCOc1cncc2nnc(-c3cc(-c4nccn4C)ccn3)n12,BIQQNJKPISCNGK-UHFFFAOYSA-N,3,1,0.419,65,116,413.445,2.307,5,0.417,0.73,1.0,0.3692173257487492,0.13749057638270168,0.04157528613528887,0.029461654444520594,0.1444362106778151
EOS-3-37381,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)c(Cl)cc2F)nn1,BOVNUTCCLIGEKH-UHFFFAOYSA-N,3,1,0.552,88,386,465.851,4.196,5,0.371,0.66,1.0,0.8443047083818792,0.9161812075937221,0.8320026043451443,0.8497618394900966,0.8605625899527105
EOS-3-37382,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)n6)nn5)n34)cc2)no1,ALYVXSYRGYRXSZ-UHFFFAOYSA-N,3,1,0.34,98,620,456.857,3.446,6,0.366,0.63,1.0,0.06720752518675896,0.16416798026180524,0.16283153999040503,0.22834281406346377,0.15563746487560826
EOS-3-37383,Cc1nc(COc2cncc3nnc(-c4cccc(-c5cncnn5)c4)n23)ccc1F,KRBHSCNWUVFPHB-UHFFFAOYSA-N,3,1,0.5,4,506,414.404,3.065,5,0.432,0.68,1.0,0.6346977588924679,0.5227366184634363,0.4818723870879309,0.4263844150503735,0.5164227948735521
EOS-3-37384,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5cncnn5)cn4)n23)cc1,CJIRUBUJVODYTP-UHFFFAOYSA-N,3,1,0.31,39,972,431.423,2.557,6,0.41,0.53,1.0,0.09546981015694607,0.026497498457953534,0.09417620450962923,0.1453550133644027,0.09037463162223289
EOS-3-37385,CCCc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4C)n23)nn1,YBGIIFPTGLWRGL-UHFFFAOYSA-N,3,1,0.447,4,677,456.485,4.017,5,0.362,0.67,0.992,0.5667363443218423,0.6263021725721335,0.1441899115893359,0.13376396408745117,0.3677480981426907
EOS-3-37386,Fc1ccc(-c2cnccc2-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cc1,OBYHSRMEJAEMBJ-UHFFFAOYSA-N,3,1,0.392,14,358,450.399,4.997,5,0.361,0.76,1.0,0.5778390788842437,0.6702504968816394,0.984656637653348,0.9699900623672126,0.800684068946611
EOS-3-37387,Cc1cnc(COc2cncc3nnc(-c4cc(-c5cccnc5F)cnn4)n23)cn1,HQGBURRLOSGMOL-UHFFFAOYSA-N,3,1,0.419,7,182,415.392,2.46,5,0.399,0.72,1.0,0.47460763484339663,0.437744157357275,0.269858131725036,0.24562230141868274,0.35695805633609756
EOS-3-37388,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccsc6)n5)n34)cc2)c1,FVQJNAVEIMTYRF-UHFFFAOYSA-N,3,1,0.385,3,186,451.49,5.178,6,0.367,0.79,1.0,0.2506596532108834,0.419770749091906,0.6749880063052567,0.7614882461791516,0.5267266636967994
EOS-3-37389,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(Cl)n5)nc4)n23)cn1,HWYBIUQFSLXWHE-UHFFFAOYSA-N,3,1,0.309,70,392,466.896,3.759,6,0.361,0.67,1.0,0.17587039956137346,0.1984528133781098,0.2994482900418066,0.3403724898910287,0.25353599821807965
EOS-3-37390,COc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ncccn1,YFWFTZRPOHGOTO-UHFFFAOYSA-N,3,1,0.426,18,116,427.428,2.063,5,0.381,0.58,0.999,0.4994688506613666,0.2229627852785964,0.047829141251456375,0.025752175998903434,0.1990032382975807
EOS-3-37391,Cc1coc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)n1,JXFHXPITUHZQCK-UHFFFAOYSA-N,3,1,0.41,31,481,434.847,3.215,5,0.397,0.61,0.944,0.555676444383524,0.4332036872044411,0.19538585429374272,0.2139675142210952,0.3495583750257008
EOS-3-37392,Cc1cccc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)n1,AIQVLDAEYPRTFZ-UHFFFAOYSA-N,3,1,0.495,11,848,442.91,4.832,5,0.35,0.75,1.0,0.7983517236652731,0.8389760811459118,0.589464395860462,0.5954869440065794,0.7055697861695566
EOS-3-37393,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)ncn2)cn1,UYUVUULJVBPEJM-UHFFFAOYSA-N,3,1,0.39,31,602,433.382,2.333,5,0.372,0.56,0.833,0.612286683572065,0.5316205194983209,0.3215338222191762,0.3372883969570283,0.4506823555616476
EOS-3-37395,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(F)cc5-c5ncc(F)cn5)n34)cn2)n1,RNTAEUUCVHKNJS-UHFFFAOYSA-N,3,1,0.33,10,151,467.443,4.083,6,0.385,0.63,1.0,0.01153964772805154,0.24342060174079913,0.5472037557398396,0.5641576999520252,0.3415804262901789
EOS-3-37396,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnc(C)nc5)nc4)n23)n1,JVFXJPPNTJXLMQ-UHFFFAOYSA-N,3,1,0.46,7,464,416.47,3.296,5,0.43,0.75,1.0,0.35778904804331435,0.372524158727983,0.10434514426701391,0.06343807826742512,0.2245241073264341
EOS-3-37397,Fc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)c1,CPVWRNZHKHRPMB-UHFFFAOYSA-N,3,1,0.619,19,159,413.416,3.404,5,0.421,0.74,1.0,0.8397813720786786,0.7371324789253649,0.5671646905626756,0.567438832156809,0.677879343430882
EOS-3-37398,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)n5C)n4)n23)cn1,UHHUNUNGDRUGEZ-UHFFFAOYSA-N,3,1,0.477,36,464,413.445,2.573,5,0.432,0.74,1.0,0.2851843602220547,0.19846138030292645,0.04305736412857241,0.027654033308203686,0.1385892844904393
EOS-3-37399,CC(F)c1ccc(-c2nnc3cncc(Cc4nnc(-c5cccc(F)n5)nn4)n23)nc1,SOWPKUIXCUPADG-UHFFFAOYSA-N,3,1,0.344,85,60,432.398,2.589,5,0.386,0.53,1.0,0.27690014392433693,0.2581985470495511,0.1821328216023576,0.24293228702624906,0.24004094990062366
EOS-3-37400,Cc1nc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5F)nn4)n23)n(C(F)F)n1,LCIKAEROMVVPMD-UHFFFAOYSA-N,3,1,0.264,50,542,446.784,3.127,5,0.417,0.54,0.866,0.03130354328010417,0.11659584675484888,0.33267082448084434,0.47640668905489686,0.23924422589267358
EOS-3-37401,Cc1ncc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cc(F)n2)cn1,YUEIWVHTRMCDOQ-UHFFFAOYSA-N,3,1,0.5,13,573,451.824,4.676,5,0.366,0.69,1.0,0.914536358028922,0.954483928449044,0.8760280309780001,0.8679408539510657,0.903247292851758
EOS-3-37402,Fc1cccc(COc2cncc3nnc(-c4ncc(-c5cncs5)cn4)n23)c1F,YQOGZLJRLXYBQK-UHFFFAOYSA-N,3,1,0.464,2,910,423.408,3.562,5,0.427,0.63,1.0,0.6861250085669248,0.5408984990747722,0.6288722500171339,0.6371478993900349,0.6232609142622165
EOS-3-37403,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ncn2)c(F)c1,JRPPLUNMEZCEMN-UHFFFAOYSA-N,3,1,0.462,44,130,433.472,3.774,5,0.402,0.62,0.677,0.615019532588582,0.5316290864231376,0.3923137550544856,0.3948495648002193,0.48345298471660614
EOS-3-37404,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,MYWDWOCMGPXRMZ-UHFFFAOYSA-N,3,1,0.461,92,36,438.904,3.759,5,0.398,0.63,1.0,0.34384209444177916,0.42868891782605717,0.19539442121855938,0.24294085395106574,0.3027165718593654
EOS-3-37405,N#Cc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)c1,LTKOHGDWBWOGRZ-UHFFFAOYSA-N,3,1,0.435,46,348,424.399,3.233,5,0.395,0.63,1.0,0.7758292783222535,0.6800253580974573,0.6527568364060037,0.6252398738948667,0.6834628366801453
EOS-3-37406,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C(F)F)nc5)ncn4)n23)cn1,VXXZKUBRFNPXBH-UHFFFAOYSA-N,3,1,0.458,7,354,476.407,2.049,5,0.368,0.66,0.999,0.5507076279898567,0.33371598930847785,0.2306473168391474,0.12732163662531698,0.31059814269069974
EOS-3-37407,COc1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)ccc1-c1cncn1C,HFCBCOKQOLYRCY-UHFFFAOYSA-N,3,1,0.396,13,573,453.384,3.805,5,0.374,0.62,0.999,0.6347063258172846,0.5735042149270098,0.8016842574189569,0.694888972654376,0.6761959427044067
EOS-3-37408,Cn1cnc(-c2cc(Cl)cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)n1,CBZKXFLSCOMYQP-UHFFFAOYSA-N,3,1,0.633,4,610,453.293,3.868,5,0.399,0.57,1.0,0.3295695976972106,0.5272256870673703,0.5302926461517373,0.6043537111918306,0.4978604105270372
EOS-3-37409,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)c2)cn1,SBQNUAKBILYAJP-UHFFFAOYSA-N,3,1,0.541,16,401,464.316,4.838,5,0.368,0.73,1.0,0.8144147076965252,0.9161897745185388,0.8075526009183743,0.8145175107943252,0.8381686484819408
EOS-3-37410,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)s4)n23)ccn1,RUVNGWHAJVKBSS-UHFFFAOYSA-N,3,1,0.53,97,183,438.875,4.681,5,0.396,0.73,1.0,0.8093088205057912,0.7324206702761976,0.6937153039544925,0.7486635597285998,0.7460270886162703
EOS-3-37412,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cccs5)ncn4)n23)c(F)c1F,QQEINHULVSPNCG-UHFFFAOYSA-N,3,1,0.376,44,971,426.383,4.519,5,0.393,0.76,0.994,0.7103265711740113,0.7092899732711946,0.870613734493866,0.8647967925433486,0.7887567678706051
EOS-3-37413,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)cc(-c2ccccn2)n1,ZXRFIOSOACHQPZ-UHFFFAOYSA-N,3,1,0.479,28,597,474.488,3.383,6,0.354,0.68,0.998,0.36922589267356587,0.19846994722774314,0.2162805839215955,0.17675279281749023,0.2401823041600987
EOS-3-37414,COc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)cn4)n23)cn1,AXOAYANNJWTBNA-UHFFFAOYSA-N,3,1,0.518,92,728,416.405,1.359,5,0.4,0.69,1.0,0.2963213624837228,0.185088410664108,0.05352614625454047,0.026617435405386882,0.14038833870193954
EOS-3-37416,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)nc5)n34)s2)nc1,FSDNHMSYFOIKQK-UHFFFAOYSA-N,3,1,0.291,76,557,423.461,4.632,6,0.408,0.72,1.0,0.10300013707079707,0.16015865944760468,0.3066273730381742,0.3308460694948941,0.2251580597628675
EOS-3-37417,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)cc1,NIFQIEWIHUWDIR-UHFFFAOYSA-N,3,1,0.329,38,983,420.436,3.909,6,0.426,0.6,1.0,0.21233979850592832,0.09153759166609554,0.42495373860599,0.38232472071825097,0.2777889623740662
EOS-3-37418,CCn1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1,AAWBFNMMMBUGFY-UHFFFAOYSA-N,3,1,0.467,2,884,451.412,4.066,5,0.362,0.69,1.0,0.4412994311561922,0.4465081214447262,0.8847919950654513,0.8385905695291618,0.6527975292988828
EOS-3-37419,Cn1ncnc1-c1cc(F)c(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)cn1,POPIZKIXVVCPBX-UHFFFAOYSA-N,3,1,0.31,86,812,469.419,2.779,6,0.383,0.58,0.799,0.23144404084709752,0.28418203001850456,0.29597011856623945,0.32760777191419366,0.2848009903365088
EOS-3-37420,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cnccn5)cnc4Cl)n23)nn1,RBPSERMSTHBTLO-UHFFFAOYSA-N,3,1,0.444,55,970,435.81,2.805,5,0.384,0.59,1.0,0.5582636556781577,0.6311424850935509,0.39232232197930234,0.42958844493180726,0.5028292269207045
EOS-3-37421,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1Cl,AHUHMNRFHMNYMQ-UHFFFAOYSA-N,3,1,0.531,16,256,423.889,3.881,5,0.426,0.64,1.0,0.6347148927421012,0.6263107394969502,0.39975841272017,0.4327582071139744,0.5233855630182989
EOS-3-37422,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc(-c2nc(C)nn2C)n1,IWVJRUFIJJCCQF-UHFFFAOYSA-N,3,1,0.43,92,185,448.878,2.621,5,0.373,0.63,1.0,0.34155472551572885,0.504643273250634,0.0372318552532383,0.041498183811938864,0.23123200945788497
EOS-3-37423,c1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cnn2)c1,CKJAWJFFGGUAGQ-UHFFFAOYSA-N,3,1,0.394,6,584,450.426,1.797,6,0.394,0.55,0.997,0.49684737166746623,0.40122335686382016,0.10164656294976356,0.09049242683846206,0.272552429579878
EOS-3-37424,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4cc(-c5nncn5C)nn4C)n23)cc1,PXVITVOQHDVIPX-UHFFFAOYSA-N,3,1,0.371,67,789,453.47,2.513,6,0.391,0.61,1.0,0.30655883763964087,0.2030018504557604,0.06502295935850867,0.0452419299568227,0.15495639435268319
EOS-3-37425,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)cn1,CTQRUNWNEGIBRD-UHFFFAOYSA-N,3,1,0.557,35,426,461.888,4.366,5,0.347,0.71,1.0,0.9437838393530258,0.9490867658145432,0.7327462134192311,0.722148927421013,0.8369414365019533
EOS-3-37426,Cc1noc(C)c1CCc1cncc2nnc(-c3ccnc(-c4ccc(F)nc4)c3)n12,LMNCUJHARFVLBZ-UHFFFAOYSA-N,3,1,0.382,85,580,415.432,3.777,5,0.403,0.8,1.0,0.30916318278390786,0.29955966006442325,0.21294805016791174,0.23117846617778082,0.2632123397985059
EOS-3-37427,CCOc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cn2)n(C)n1,QXLYIHDQHVWLEO-UHFFFAOYSA-N,3,1,0.4,92,662,445.487,2.606,5,0.376,0.61,0.987,0.27427866493043657,0.16802309642930574,0.06704475361524227,0.020706257281886093,0.1325131930642177
EOS-3-37428,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)cc1,IRMQIXUPCLKLOQ-UHFFFAOYSA-N,3,1,0.322,32,515,418.42,3.965,6,0.423,0.66,0.998,0.1541703790007539,0.10761770954698102,0.36979987663628267,0.41046706874100475,0.2605137584812556
EOS-3-37429,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)cc1,HJINNNSCRXHOHP-UHFFFAOYSA-N,3,1,0.315,30,371,418.42,3.965,6,0.423,0.66,1.0,0.15417894592557055,0.11364882461791516,0.32154238914399286,0.37275546569803303,0.24053140634637787
EOS-3-37430,COc1cc(-c2nnc3cncc(OCc4ccnc(C)n4)n23)ccc1-c1ccsc1,IUKSQQZTGDHHQM-UHFFFAOYSA-N,3,1,0.517,4,83,430.493,4.206,5,0.399,0.63,1.0,0.4136882324720718,0.3337245562332945,0.4433726269618258,0.2994996915907066,0.3725712768144747
EOS-3-37431,Cc1ccc(-c2nnc3cncc(OCc4cccnc4-c4cccc(F)c4F)n23)cc1,KCGQSPJGJCYECR-UHFFFAOYSA-N,3,1,0.554,1,709,429.43,5.019,5,0.393,0.75,1.0,0.9628281132204783,0.8864111438558016,0.9131827839078884,0.8948752655746693,0.9143243266397094
EOS-3-37432,CN(C)C(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cn(C)cn5)nc4Cl)n23)nn1,FZDHXEQYSXBVTE-UHFFFAOYSA-N,3,1,0.303,50,974,460.889,2.399,5,0.375,0.6,1.0,0.21234836543074498,0.2532468645055171,0.04158385306010554,0.03133781097937084,0.1346292234939346
EOS-3-37433,Fc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncon1,SFSLUOJQBUMYGU-UHFFFAOYSA-N,3,1,0.406,31,602,439.798,2.44,5,0.363,0.64,0.838,0.6464430128161195,0.5547426495785073,0.13209341374820094,0.19598553903090946,0.3823161537934343
EOS-3-37434,Fc1ccc(Cl)cc1-c1nnc2cncc(-c3cc(-c4cccc(Cl)c4)ncn3)n12,GNUTYCOULNSJGU-UHFFFAOYSA-N,3,1,0.392,45,730,437.265,5.361,5,0.38,0.81,1.0,0.34156329244054556,0.559908505242958,0.9335720649715578,0.9705126447810294,0.7013891268590227
EOS-3-37435,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cnnc(-c4ncccc4F)c3)n12,FUKRNEALEYXTLL-UHFFFAOYSA-N,3,1,0.426,55,511,452.812,3.549,5,0.373,0.61,1.0,0.7073452813378109,0.7590723733808512,0.7248732095127133,0.7691299431156192,0.7401052018367488
EOS-3-37436,CCc1nc(-c2ccccn2)ccc1-c1cncc2nnc(-c3cnc(-c4ccncc4)cn3)n12,UPXGLQNCXLTBBZ-UHFFFAOYSA-N,3,1,0.299,32,72,457.501,4.33,6,0.376,0.63,0.999,0.13240182304160097,0.08536083887327804,0.23427112603659792,0.2429494208758824,0.17374580220683983
EOS-3-37437,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,YFGNNMZYCYCZSZ-UHFFFAOYSA-N,3,1,0.511,58,173,452.902,4.724,5,0.347,0.78,0.984,0.9239942430265232,0.9271297375094236,0.6555496538962374,0.6919847851415256,0.7996646048934275
EOS-3-37438,c1cnc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cn1,JEWLDRNTSNMDRW-UHFFFAOYSA-N,3,1,0.423,56,8,439.399,1.995,6,0.404,0.54,1.0,0.4005551367281201,0.3774415735727503,0.05144438352409019,0.047871975875539714,0.2193282674251251
EOS-3-37439,Cc1nccc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1F,NGXQTBZPUDJDTF-UHFFFAOYSA-N,3,1,0.5,87,76,427.443,3.712,5,0.408,0.62,1.0,0.7872318552532382,0.6604927695154548,0.5435970803920225,0.482514906449181,0.6184591529024741
EOS-3-37440,Fc1ncccc1-c1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cnn1,LOZFPMHWQUCFJL-UHFFFAOYSA-N,3,1,0.484,35,778,448.849,3.452,5,0.364,0.61,1.0,0.7644010006168186,0.8321225412925776,0.6023233500102803,0.6458947296278528,0.7111854053868822
EOS-3-37441,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)n1C,AQOWRGRCGLQFGP-UHFFFAOYSA-N,3,1,0.457,36,185,451.853,3.057,5,0.375,0.61,1.0,0.43677609485299157,0.684805702145158,0.14419847851415257,0.20774792680419438,0.36838205057912415
EOS-3-37442,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cc1-c1cnc(Cl)n1C,KEPPGEADDGLOQM-UHFFFAOYSA-N,3,1,0.438,31,569,453.869,2.734,5,0.389,0.58,0.999,0.40923343156740455,0.3146888492906586,0.19540298814337606,0.2371496127749983,0.2891187204441094
EOS-3-37443,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5F)n34)cn2)ncn1,CGMSGKWPBVYHKF-UHFFFAOYSA-N,3,1,0.446,13,573,451.824,4.676,5,0.366,0.71,1.0,0.8250291275443766,0.8757024878349667,0.8771331642793503,0.8582516619834144,0.859029110410527
EOS-3-37444,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccs5)nc4)n23)n1,LIASGUOOWXTEFV-UHFFFAOYSA-N,3,1,0.297,76,368,436.504,4.377,6,0.408,0.61,1.0,0.137661914879035,0.11080460557878144,0.2447570420121993,0.25773593310945103,0.18773987389486668
EOS-3-37445,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(F)nc6)n5)n34)nc2)nc1,NSURBQKFSVBRRF-UHFFFAOYSA-N,3,1,0.274,10,952,455.392,2.564,6,0.369,0.56,0.995,0.02779967103008704,0.16016722637242137,0.24857789048043313,0.3436022205469125,0.19503675210746352
EOS-3-37446,CCc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ncc(F)cn1,NMJGEJPWBSFBTO-UHFFFAOYSA-N,3,1,0.396,46,717,462.876,3.972,5,0.349,0.68,0.999,0.7346395038037146,0.6702590638064561,0.355013364402714,0.3854088136522514,0.536330186416284
EOS-3-37447,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)nc2F)cn1,PEFQPULJGAMBOP-UHFFFAOYSA-N,3,1,0.435,65,773,434.46,3.169,5,0.376,0.64,1.0,0.6233037488862998,0.617495373860599,0.21628915084641218,0.18800116510177506,0.4112723596737715
EOS-3-37448,Fc1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1cnccn1,AEKDGQXAKPJTCB-UHFFFAOYSA-N,3,1,0.529,37,490,465.851,4.196,5,0.371,0.64,1.0,0.9304365704886574,0.9333750257007745,0.8034404770063738,0.8325080529093277,0.8749400315262833
EOS-3-37449,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)s1,YKPBGSNVXZMRJJ-UHFFFAOYSA-N,3,1,0.436,31,477,438.904,3.318,5,0.401,0.6,0.92,0.387661914879035,0.2789133712562539,0.15340792269207046,0.20490370776506064,0.25622172914810504
EOS-3-37450,Cc1cc(-c2ccc(-c3nnc4cncc(OCC5CCOCC5)n34)nc2C)ccn1,VPHSAHFWKFYKDE-UHFFFAOYSA-N,3,1,0.398,78,548,416.485,3.671,5,0.49,0.67,1.0,0.214952710575012,0.09468165307381263,0.04629566170927284,0.10897128366801453,0.11622532725652801
EOS-3-37451,Cc1cc(COc2cncc3nnc(-c4cnnc(-c5ncccc5F)c4)n23)n(C)n1,HFGJXJJBXVPPFX-UHFFFAOYSA-N,3,1,0.441,53,662,417.408,2.403,5,0.429,0.65,0.996,0.3485624700157631,0.35832019738194776,0.16594990062367213,0.14770235076416968,0.25513372969638815
EOS-3-37452,CCn1nc(C)nc1-c1cncc(COc2cncc3nnc(-c4ccccn4)n23)c1,VIULHVHNBJMBCN-UHFFFAOYSA-N,3,1,0.462,92,62,413.445,2.747,5,0.418,0.75,1.0,0.1430676444383524,0.060054142964841344,0.0319888972654376,0.02662600233020355,0.06543417174970872
EOS-3-37453,Cn1ncc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5F)n34)c2)cc1=O,RXAADQJORQMHLB-UHFFFAOYSA-N,3,1,0.447,16,605,465.395,2.943,5,0.368,0.61,1.0,0.548043314371873,0.43321225412925773,0.8097371667466247,0.7614968131039682,0.6381223870879309
EOS-3-37454,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)cc1Cl,PSRHLHRPVMFOLZ-UHFFFAOYSA-N,3,1,0.462,16,606,464.892,4.145,5,0.372,0.67,1.0,0.4599153587828113,0.5789099444863272,0.45043177301076004,0.4610376259337948,0.48757367555342335
EOS-3-37455,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)c(F)c1,ZWGNZYVUBITMGN-UHFFFAOYSA-N,3,1,0.54,90,636,406.421,2.615,4,0.529,0.86,1.0,0.52496401891577,0.35329141251456375,0.3473116989925296,0.2167089301624289,0.3605690151463231
EOS-3-37456,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)cc1F,UPUDWEANKJFVQX-UHFFFAOYSA-N,3,1,0.463,18,503,455.428,4.02,5,0.381,0.63,1.0,0.8488965800836132,0.7888938386676718,0.8893153313686519,0.8810996504694675,0.8520513501473511
EOS-3-37457,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5ccccn5)n4)n23)cc1,IEITWRUCCZFCSI-UHFFFAOYSA-N,3,1,0.253,10,880,419.412,2.286,6,0.423,0.59,0.999,0.002647179768350353,0.002235967377150298,0.03724042217805497,0.07421526968679323,0.029084709752587215
EOS-3-37458,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cccc(F)c5F)ncn4)n23)cc1Cl,ZOUSVZAIVGIEMD-UHFFFAOYSA-N,3,1,0.5,13,573,454.799,5.111,5,0.375,0.76,1.0,0.8419059694332123,0.8459238571722295,0.9656637653347955,0.97547289424988,0.9072416215475294
EOS-3-37459,Cc1ncc(-c2cnc(-c3nnc4cncc(-c5cccc(-c6nnco6)n5)n34)cn2)cc1F,UTHZRQPAETXLEX-UHFFFAOYSA-N,3,1,0.26,76,72,452.413,3.203,6,0.392,0.53,0.771,0.2555942019052841,0.27892193818107053,0.2269806730176136,0.23998526488931532,0.2503705194983209
EOS-3-37460,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)nn1,KYGZJWMMGOFGKT-UHFFFAOYSA-N,3,1,0.537,4,534,413.416,3.67,5,0.434,0.77,1.0,0.6524312932629703,0.7092985401960112,0.5738297580700432,0.5510760057569735,0.6216588993214995
EOS-3-37461,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)ncn2)nn1,PBNOCJSWZZHMKO-UHFFFAOYSA-N,3,1,0.411,46,395,415.392,2.46,5,0.427,0.65,0.248,0.6038653964772805,0.3960318004249195,0.2737903502158865,0.2516791172640669,0.3813416660955384
EOS-3-37462,Fc1cc(-c2nncs2)cnc1Oc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,URFNVXVXGCIIEW-UHFFFAOYSA-N,3,1,0.389,40,608,469.465,4.093,6,0.368,0.72,1.0,0.677198272907957,0.6652988143376054,0.3473202659173463,0.3213453498732095,0.5027906757590296
EOS-3-37463,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)cn2)n(C)n1,RPKRMULUZVUEST-UHFFFAOYSA-N,3,1,0.277,70,813,447.466,2.809,6,0.401,0.53,0.999,0.045327599204989376,0.019566856281269276,0.0712425467754095,0.0742238366116099,0.052590209718319514
EOS-3-37464,CCn1ccnc1-c1cc(F)ccc1-c1nnc2cncc(-c3ccc(-c4nncn4C)cc3)n12,NGUXYBUHUGTBHH-UHFFFAOYSA-N,3,1,0.329,9,642,465.496,4.276,6,0.378,0.66,1.0,0.24801247344253308,0.3146974162154753,0.39976697964498664,0.41371393324652184,0.3440477006373792
EOS-3-37465,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)n4)n23)c1,KQMBCXGUNOSZFM-UHFFFAOYSA-N,3,1,0.448,87,227,451.853,2.791,5,0.362,0.59,1.0,0.5953584401343294,0.5455332054005894,0.2994568569666233,0.35628126927558085,0.44915744294428067
EOS-3-37466,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5nncnn5)ccn4)n23)cc1,UOMQVYJHZSOTJB-UHFFFAOYSA-N,3,1,0.595,36,32,417.82,2.666,5,0.425,0.61,1.0,0.7582585155232677,0.9034678911657871,0.33972140360496195,0.4263929819751902,0.6069601980673017
EOS-3-37467,Cc1nccc(CCOc2cncc3nnc(-c4cnc(-c5nc(C)n(C)n5)cn4)n23)n1,NUTBAOCSTXBMHL-UHFFFAOYSA-N,3,1,0.418,31,828,429.448,1.405,5,0.39,0.61,0.899,0.2742872318552532,0.10098690973888014,0.005234391062984031,0.0016791172640668905,0.09554691248029606
EOS-3-37468,CCc1cnc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,SLMFMZBCPFHNGN-UHFFFAOYSA-N,3,1,0.482,36,320,413.445,2.518,5,0.418,0.72,1.0,0.34857103694057984,0.18509697758892468,0.08974710437941197,0.05451134260845727,0.16948161537934345
EOS-3-37469,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(F)cc5)ns4)n23)cc1,UJMUYICGHMRGOU-UHFFFAOYSA-N,3,1,0.373,62,837,475.484,4.305,6,0.381,0.73,1.0,0.20135700089096017,0.34388492906586254,0.2777054348571037,0.42959701185662397,0.3131360941676376
EOS-3-37470,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cn2)nc1,JILUXWPGSQLPKM-UHFFFAOYSA-N,3,1,0.338,32,20,464.439,4.651,6,0.375,0.69,1.0,0.35072133506956343,0.47723768076211365,0.7327547803440477,0.7486721266534165,0.5773464807072853
EOS-3-37471,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cscn5)nn4)n23)nc1Cl,ROWSTFTZOZKUFT-UHFFFAOYSA-N,3,1,0.37,54,411,441.839,2.866,5,0.379,0.62,0.947,0.5325543143033377,0.5455417723254061,0.1503323966828867,0.22233739976697964,0.36269147076965247
EOS-3-37472,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccccc5F)nn5ccccc45)n23)cc1F,ZKINMTLJFUUVDH-UHFFFAOYSA-N,3,1,0.327,83,3,481.466,4.411,6,0.403,0.77,1.0,0.22321979302309644,0.33879617572476184,0.6911794942087588,0.7196045507504626,0.49320000342676995
EOS-3-37473,Cn1nc(-c2ccccc2Cl)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,VYZPHAHDDWHNTN-UHFFFAOYSA-N,3,1,0.372,30,737,464.92,4.969,6,0.366,0.77,0.999,0.06721609211157563,0.2484322527585498,0.3586114728257145,0.5447878829415393,0.3047619251593448
EOS-3-37474,c1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6nccn6)nn5)n34)cc2)ccn1,GGGRVQUSBCQJPI-UHFFFAOYSA-N,3,1,0.506,40,415,462.477,2.845,6,0.352,0.61,1.0,0.4158984990747721,0.32906414913302723,0.15638921252827084,0.17411417997395656,0.2688665101775067
EOS-3-37475,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)n1C,FHVKELQXQNGBHA-UHFFFAOYSA-N,3,1,0.379,56,318,451.45,3.738,6,0.386,0.63,1.0,0.4206788431224728,0.2737732163662532,0.27379891714070315,0.1797683503529573,0.2870048317455966
EOS-3-37476,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)s1,MHYCBXPEAFCXPJ-UHFFFAOYSA-N,3,1,0.675,43,11,452.902,4.99,5,0.374,0.77,1.0,0.8600507161949147,0.8614985264889315,0.7248817764375299,0.7537180453704339,0.8000372661229525
EOS-3-37477,Cc1nnc(-c2nnncc2COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)s1,FLTDNBUOKZUFCQ-UHFFFAOYSA-N,3,1,0.457,71,614,470.482,2.167,6,0.38,0.62,1.0,0.4670002056061956,0.44189054896854224,0.022256870673702966,0.023190665478719757,0.23858457268179012
EOS-3-37478,Cc1nc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)cc2)cn1C,KZECYBDEXLXHJR-UHFFFAOYSA-N,3,1,0.321,64,885,462.492,4.763,6,0.375,0.72,1.0,0.24511685285449936,0.31470598314029197,0.5169539442121855,0.5378572407648551,0.403658505242958
EOS-3-37479,c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6csnn6)cn5)n34)cn2)n[nH]1,MFULKZNXMCERRQ-UHFFFAOYSA-N,3,1,0.357,51,584,456.455,1.859,6,0.39,0.58,1.0,0.37140189157699954,0.35832876430676447,0.04159241998492221,0.03561270646288808,0.20173394558289356
EOS-3-37480,Cc1ncoc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5Cl)n4)n23)cc1,KYMPLIVADHEGKI-UHFFFAOYSA-N,3,1,0.308,3,289,454.881,4.656,6,0.382,0.67,1.0,0.09547837708176272,0.26357857583441846,0.42842334315674047,0.5011479679254335,0.3221570659995888
EOS-3-37481,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)nnc2F)c1,YTASWZNTNZJEFB-UHFFFAOYSA-N,3,1,0.385,31,466,418.396,1.532,5,0.404,0.64,0.998,0.4795850181618806,0.4104927695154547,0.05547940511274073,0.05451990953327394,0.25001927558083753
EOS-3-37482,OCc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cn5)ncc4F)n23)cn1,KFIBRDQIZZQUHI-UHFFFAOYSA-N,3,1,0.458,24,109,463.86,3.507,5,0.407,0.61,1.0,0.8323538482626276,0.8459324240970462,0.7327633472688644,0.7196131176752792,0.7826656843259543
EOS-3-37483,Fc1ccc(-c2cscn2)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,UHAYMZBRGFXPJV-UHFFFAOYSA-N,3,1,0.442,59,692,438.875,4.681,5,0.396,0.7,1.0,0.7496915907066,0.7969553149201563,0.7973322596120896,0.8284216297717771,0.7931001987526557
EOS-3-37484,c1cnc(-c2ccncn2)c(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)c1,OWUGEGDJVIHRAQ-UHFFFAOYSA-N,3,1,0.27,86,892,420.4,1.681,6,0.414,0.59,1.0,0.009432184223151258,0.013629977383318484,0.0920002056061956,0.11137002261668151,0.056608097457336706
EOS-3-37485,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)o1,DIIRAIHAUTYCBL-UHFFFAOYSA-N,3,1,0.377,3,641,470.855,4.758,6,0.363,0.8,0.998,0.3644027140017819,0.5455503392502228,0.5863717360016448,0.6948975395791926,0.5478055822082105
EOS-3-37486,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5nccnc5Oc5ccccc5)cn4)n23)cn1,JCCQYVSRUSYPAY-UHFFFAOYSA-N,3,1,0.344,64,365,459.473,4.201,6,0.374,0.64,0.999,0.23987389486669866,0.1303971626345007,0.2413731067096155,0.21934754300596257,0.20774792680419438
EOS-3-37487,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncc4Cl)n23)cn1,ADCBRYJWHCVSAM-UHFFFAOYSA-N,3,1,0.469,55,69,466.839,4.208,5,0.366,0.69,1.0,0.8535398533342471,0.8966657528613529,0.8678723185525323,0.8224333493249263,0.8601278185182646
EOS-3-37488,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)n1,VNNLKPAWGOZBNS-UHFFFAOYSA-N,3,1,0.549,4,92,424.486,4.398,5,0.416,0.73,1.0,0.6233123158111165,0.6946747995339593,0.35862003975053114,0.3562898362003975,0.5082242478240011
EOS-3-37489,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(Cl)nn5)cn4)n23)cn1,NRTOJBWNPCHKDL-UHFFFAOYSA-N,3,1,0.259,99,286,468.872,2.549,6,0.379,0.58,0.935,0.1376704818038517,0.1809677198272908,0.09200877253101226,0.1453635802892194,0.13900263861284354
EOS-3-37490,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ncno5)cc4)n23)nc1,WTIPDOLDPSTICO-UHFFFAOYSA-N,3,1,0.484,40,932,451.45,3.309,6,0.375,0.61,1.0,0.38767048180385166,0.24342916866561579,0.31411486532794186,0.21397608114591185,0.2897976492358303
EOS-3-37491,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2Cl)n[nH]1,JKSVTJVETVHIGQ-UHFFFAOYSA-N,3,1,0.588,35,393,445.874,2.726,5,0.41,0.63,1.0,0.8489051470084299,0.7969638818449729,0.38868994585703515,0.3888184497292852,0.6058443561099307
EOS-3-37492,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccnc(C(F)F)c4)n23)c1,KTIUECTVQUZAQL-UHFFFAOYSA-N,3,1,0.408,2,905,448.437,3.981,5,0.372,0.67,0.993,0.4869097388801316,0.3821790829963676,0.7248903433623467,0.5768710163799603,0.5427125454047015
EOS-3-37493,COCc1csc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1,MLIYVGADRSDFKM-UHFFFAOYSA-N,3,1,0.452,46,267,465.926,4.084,5,0.354,0.69,1.0,0.49947741758618325,0.5409070659995888,0.3066359399629909,0.2963384963333562,0.41083972997052975
EOS-3-37494,Cc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)n1,UVSNSUOHXQGIOH-UHFFFAOYSA-N,3,1,0.318,30,298,448.465,4.549,6,0.393,0.64,0.943,0.03131211020492084,0.22297135220341308,0.5234562401480365,0.5863117675279281,0.3410128675210746
EOS-3-37495,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cc2F)cn1,JPLGFEHMRMVUMW-UHFFFAOYSA-N,3,1,0.662,13,15,450.836,5.281,5,0.37,0.78,1.0,0.9602152011513947,0.9446833664587759,0.9468679322870263,0.9459427044068262,0.9494273010760058
EOS-3-37496,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)s1,BPYWAVRLAAJXQY-UHFFFAOYSA-N,3,1,0.478,55,241,454.878,3.78,5,0.369,0.67,1.0,0.661777808237955,0.5938763621410459,0.3550219313275307,0.39183400726475226,0.500627527242821
EOS-3-37497,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nc(C)n2)cn1,LAARAWMSXOJDDR-UHFFFAOYSA-N,3,1,0.412,65,330,443.446,2.811,5,0.39,0.57,1.0,0.6205280652456994,0.4772462476869303,0.172529298882873,0.14537214721403605,0.3539189397573847
EOS-3-37498,Clc1cccc(-c2nnc3cncc(CCCc4ccc(-c5ccccn5)nc4)n23)c1,JHXDSISJKUJVDE-UHFFFAOYSA-N,3,1,0.495,14,886,426.911,5.077,5,0.379,0.78,1.0,0.33446987869234457,0.4955794667945994,0.4954509629223494,0.6280755260091837,0.48839395860461926
EOS-3-37499,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cc4F)n23)nc1,WYQNZYCGEWLPAY-UHFFFAOYSA-N,3,1,0.327,50,432,414.364,1.338,5,0.459,0.62,0.996,0.1845829620999246,0.1680316633541224,0.1885580152148585,0.18524261531080805,0.18160381399492836
EOS-3-37500,Cc1cnc(-c2ccnc(COc3cncc4nnc(-c5cnc(CO)cn5)n34)c2)nn1,YSSMGCSFFXQSKF-UHFFFAOYSA-N,3,1,0.444,7,828,428.416,1.208,5,0.415,0.59,1.0,0.34385066136659587,0.2328661503666644,0.049722431635939965,0.033530943732437805,0.1649925467754095
EOS-3-37501,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)n(C)n4)n23)c(F)c(C)n1,ZBGKOLXWZJZVTN-UHFFFAOYSA-N,3,1,0.472,95,965,463.904,4.575,5,0.379,0.73,1.0,0.4253820848468234,0.47725481461174696,0.6259080940305668,0.6106332670824481,0.5347945651428962
EOS-3-37502,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)cnn1,JLIHBJYITCEZBO-UHFFFAOYSA-N,3,1,0.585,72,659,434.822,3.41,5,0.414,0.53,1.0,0.9447690357069426,0.9681567404564457,0.6720067164690563,0.7221574943458297,0.8267724967445685
EOS-3-37503,CCOc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)cn1,UZTQBXNQDWIHQI-UHFFFAOYSA-N,3,1,0.462,75,183,459.897,4.274,5,0.332,0.72,1.0,0.6150280995133987,0.6605013364402714,0.6112757864436982,0.5112569392091015,0.5995155404016175
EOS-3-37504,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)nc2)cn1,VXFKAFKMNRKRDF-UHFFFAOYSA-N,3,1,0.433,18,265,450.384,3.077,5,0.389,0.55,0.995,0.8535484202590639,0.8170790213145089,0.6965509560688096,0.6716554725515729,0.7597084675484889
EOS-3-37505,Cc1ccc(-c2nnc3cncc(-c4ncc(F)cc4OCc4cnc(F)c(C)c4)n23)cc1,UBDTXDIYBCTUGI-UHFFFAOYSA-N,3,1,0.341,96,139,444.445,4.722,5,0.365,0.74,0.979,0.5639006922075251,0.6175039407854157,0.82460934822836,0.7537266122952505,0.6899351483791378
EOS-3-37506,Fc1cccc(-c2cnnc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)c2)c1,DYRAMINGSOYKMR-UHFFFAOYSA-N,3,1,0.449,54,207,439.863,4.076,5,0.407,0.63,1.0,0.5428774587074224,0.5841871701733946,0.5303012130765541,0.6569717634158042,0.5785844013432938
EOS-3-37507,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cccc(-c5nc[nH]n5)c4)n23)nc1,HQVXDPKBCFKHMM-UHFFFAOYSA-N,3,1,0.267,94,154,418.424,3.095,6,0.463,0.61,1.0,0.12385203207456652,0.13749914330751833,0.22698923994243025,0.26680830649030224,0.18878718045370435
EOS-3-37508,Fc1ccc(-c2cccnc2F)cc1COc1cncc2nnc(-c3ccccc3F)n12,SXBHWWFPHXKABK-UHFFFAOYSA-N,3,1,0.518,57,962,433.393,4.85,5,0.371,0.76,1.0,0.8958004934548695,0.9179459941059557,0.9644044273867453,0.9639161126721952,0.9355167569049414
EOS-3-37509,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnnn5C)cn4)n23)nc1,QYGFTTCOJLLTAI-UHFFFAOYSA-N,3,1,0.429,80,816,466.469,1.751,6,0.356,0.62,1.0,0.28519292714687133,0.16017579329723802,0.04160098690973888,0.03036974847508738,0.1293348639572339
EOS-3-37510,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)ccn2)cn1,LIGDVBFLWCTPPE-UHFFFAOYSA-N,3,1,0.529,7,99,448.849,3.718,5,0.4,0.57,1.0,0.6464515797409361,0.6653073812624221,0.592659858817079,0.5738640257693098,0.6195707113974368
EOS-3-37511,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)cn5)s4)n23)cc1,LHKOWVIYJBRJJE-UHFFFAOYSA-N,3,1,0.341,38,167,455.482,3.911,6,0.397,0.61,1.0,0.09083510383112878,0.24343773559043247,0.3360718936330615,0.3403810568158454,0.25268144746761706
EOS-3-37512,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccccc4Cl)n23)cn1,QEGILHYVNIEHCZ-UHFFFAOYSA-N,3,1,0.346,64,449,465.908,4.364,6,0.381,0.68,0.997,0.1929956822698924,0.2893307518333219,0.410098690973888,0.5011565348502501,0.3483954149818381
EOS-3-37513,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(Cl)c5Cl)cn4)n23)s1,BEKSCHMZBXAFDI-UHFFFAOYSA-N,3,1,0.34,96,140,467.341,4.988,5,0.402,0.77,0.975,0.15154890000685353,0.19380954012747584,0.6380559934206017,0.7563223905147008,0.43493420601740795
EOS-3-37514,Cc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cncn1C,AFJXCDFYXLFARA-UHFFFAOYSA-N,3,1,0.407,13,971,435.85,4.48,5,0.414,0.65,0.986,0.5223682406963196,0.5735127818518264,0.7067541635254609,0.703010417380577,0.626411400863546
EOS-3-37515,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)nc1)N1CCC(F)(F)C1,HNUBTXIIGSNKCY-UHFFFAOYSA-N,3,1,0.347,52,821,484.47,3.792,6,0.382,0.8,0.999,0.08584058666301145,0.09154615859091221,0.12099924611061613,0.27238537454595296,0.14269284147762318
EOS-3-37516,Fc1cccnc1CCOc1cncc2nnc(-c3cncnc3-c3cnccn3)n12,WERWOZCVKLCXBQ-UHFFFAOYSA-N,3,1,0.463,65,324,415.392,2.194,5,0.411,0.67,1.0,0.5480518812966897,0.5688352409019258,0.1659584675484888,0.19074258104310876,0.36839704269755325
EOS-3-37517,Cc1ccc(F)cc1Oc1cncc2nnc(-c3ccc(-c4cnn(CCO)c4)c(C)c3)n12,GYFFKBWPRHCYNU-UHFFFAOYSA-N,3,1,0.442,13,374,444.47,4.195,5,0.422,0.66,1.0,0.46479850592831196,0.4465166883695429,0.7143615927626619,0.6224898910287163,0.5620416695223083
EOS-3-37518,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5conn5)s4)n23)cc1,BGQKAWCFRWLUQM-UHFFFAOYSA-N,3,1,0.317,76,653,443.427,3.561,6,0.402,0.59,0.688,0.20412411760674387,0.3096429305736413,0.22699780686724694,0.3531886094167638,0.27348836611609895
EOS-3-37519,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)nn1,NLGUFJGJFQNNJM-UHFFFAOYSA-N,3,1,0.429,11,503,413.416,3.404,5,0.421,0.72,1.0,0.640574669316702,0.5455589061750394,0.38502330203550134,0.44215612363785894,0.5033282502912755
EOS-3-37520,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)nc1,ZLGGOPLLIQTPFA-UHFFFAOYSA-N,3,1,0.308,98,42,462.521,3.841,6,0.383,0.67,1.0,0.12960900555136728,0.05234391062984031,0.07789048043314371,0.07024878349667603,0.08252304502775683
EOS-3-37521,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5cncs5)ccn4)n23)c1,YITVCFFNFSSNNM-UHFFFAOYSA-N,3,1,0.461,18,840,419.445,3.465,5,0.416,0.66,1.0,0.5980570214515798,0.5001113700226166,0.4358937015968748,0.43276677403879105,0.4917072167774656
EOS-3-37522,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccnc(F)c1,WZMASFFJIIZMOL-UHFFFAOYSA-N,3,1,0.576,11,669,460.444,4.157,5,0.337,0.69,1.0,0.9336920019189912,0.8943098485367692,0.8499674456856967,0.7615053800287849,0.8598686690425605
EOS-3-37523,COc1nc(-c2cncc(F)c2)ccc1-c1nnc2cncc(OCc3cccc(Cl)n3)n12,HJPXNGVNHONBGW-UHFFFAOYSA-N,3,1,0.478,4,710,463.86,4.023,5,0.348,0.71,1.0,0.6584966760331711,0.6848142690699747,0.5799379754643273,0.5478205743266397,0.6177673737235282
EOS-3-37525,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)cc(Cl)n1,YGDVZQYWPDINDR-UHFFFAOYSA-N,3,1,0.495,16,97,478.875,3.057,5,0.371,0.71,1.0,0.5532948392844904,0.46408745116852856,0.5472123226646562,0.4704612432321294,0.5087639640874512
EOS-3-37526,Cc1nc(-c2ccccc2C)cc(-c2nnc3cncc(OCCc4cnnc(Cl)c4)n23)n1,BUCYPAMSCGTYCE-UHFFFAOYSA-N,3,1,0.462,44,531,458.913,3.93,5,0.377,0.64,1.0,0.6290007538893838,0.5789185114111438,0.27771400178192035,0.29634706325817284,0.44549508258515524
EOS-3-37527,Clc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccco5)cn4)n23)nn1,URFWCKGUVOYUQA-UHFFFAOYSA-N,3,1,0.299,32,687,452.865,4.619,6,0.381,0.67,1.0,0.21781406346377905,0.24344630251524912,0.44338119388664243,0.5315348502501542,0.35904410252895624
EOS-3-37528,Clc1ccc(-c2nnc3cncc(OCc4snnc4-c4ccccn4)n23)cc1,VITFNJZLWUCEAQ-UHFFFAOYSA-N,3,1,0.623,43,32,421.873,3.937,5,0.424,0.72,0.998,0.7405335480775821,0.8286615036666438,0.2306558837639641,0.394858131725036,0.5486772668083065
EOS-3-37529,Cn1nc(-c2nccc(Cl)n2)cc1-c1nnc2cncc(OCCc3cncnn3)n12,CKBBMIMDHXCVMI-UHFFFAOYSA-N,3,1,0.373,31,569,435.839,1.442,5,0.36,0.59,1.0,0.3507299019943801,0.28933931875813856,0.017836337468302377,0.03037831539990405,0.1720709684051813
EOS-3-37530,COc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(C)nc5F)n34)nc(C)n2)cn1,RRXCFFPUQZSOAL-UHFFFAOYSA-N,3,1,0.408,46,500,458.457,3.382,5,0.353,0.65,1.0,0.6150366664382153,0.4377527242820917,0.33972997052977866,0.19075114796792544,0.39581762730450276
EOS-3-37531,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1Cl,JUXUYJJCOMCRRK-UHFFFAOYSA-N,3,1,0.426,26,379,467.32,4.351,5,0.343,0.75,1.0,0.5864831060242616,0.5938849290658625,0.5059968473716675,0.5578096086628743,0.5610436227811666
EOS-3-37532,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ncc(-c5ncccn5)cc4Cl)n23)cc1,ZENGTXOQFJXDBW-UHFFFAOYSA-N,3,1,0.418,89,310,484.907,3.981,6,0.384,0.85,1.0,0.6376019464053183,0.4418991158933589,0.19541155506819272,0.24295798780069905,0.37946765129189225
EOS-3-37533,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)nc1,PMNLMJSEMQWELW-UHFFFAOYSA-N,3,1,0.293,64,114,419.408,3.36,6,0.423,0.61,0.999,0.09789424988006305,0.0819940374203276,0.15968747858268795,0.19599410595572614,0.13389246795970117
EOS-3-37534,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cnn2)cn1,DDDAQIIBQGRENF-UHFFFAOYSA-N,3,1,0.283,70,719,437.402,2.63,6,0.413,0.53,0.478,0.2178226303885957,0.2893478856829552,0.34337091357686245,0.36317764375299844,0.30342976835035296
EOS-3-37535,Cc1ncc(-c2ncc(-c3cncc4nnc(-c5cnc(C(C)(C)O)nc5)n34)cn2)o1,CGQVMGBLXGADMR-UHFFFAOYSA-N,3,1,0.296,82,489,415.417,2.229,5,0.464,0.67,1.0,0.24802104036734973,0.08862483722842848,0.06705332054005894,0.01747652662600233,0.10529393119045989
EOS-3-37536,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(Cl)c4)n23)cc1F,GEVHWHDGKFQVFE-UHFFFAOYSA-N,3,1,0.597,59,16,452.852,4.702,5,0.386,0.68,1.0,0.9172006716469057,0.9034764580906038,0.917063600849839,0.9193424028510726,0.9142707833596053
EOS-3-37537,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5ncon5)n4)n23)cn1,OOPFHXKMKFNXCP-UHFFFAOYSA-N,3,1,0.375,80,34,453.426,2.006,6,0.364,0.61,1.0,0.40056370365293675,0.25820711397436774,0.035998218079638135,0.024775546569803304,0.17988614556918647
EOS-3-37538,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc(C)n2)c1,KBGOWZJCUOLBGJ-UHFFFAOYSA-N,3,1,0.436,7,85,444.886,3.888,5,0.402,0.58,1.0,0.4554948255774107,0.5134843396614351,0.4174833801658557,0.3727640326228497,0.4398066445068878
EOS-3-37539,Cc1cncc(Cc2cncc3nnc(-c4cc(-c5ccc(-c6nnco6)cc5)ncn4)n23)c1,WRQKLYHVGXTSNO-UHFFFAOYSA-N,3,1,0.282,38,339,447.462,3.593,6,0.39,0.58,0.323,0.1430762113631691,0.06771297375094236,0.31412343225275857,0.28444760468782126,0.20234005551367282
EOS-3-37540,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)c1,QIIYEDDWHTYUDL-UHFFFAOYSA-N,3,1,0.523,35,795,413.416,3.404,5,0.421,0.75,1.0,0.6772068398327736,0.7139418134466452,0.4643958604619286,0.5112655061339182,0.5917025049688164
EOS-3-37541,COc1nc(-c2ncccc2C)ccc1-c1nnc2cncc(OCc3cnc(Cl)cn3)n12,KBJBVXBNAZVZJO-UHFFFAOYSA-N,3,1,0.433,7,710,460.885,3.588,5,0.375,0.64,1.0,0.5455417723254061,0.5134929065862518,0.219904393119046,0.16610410527037214,0.3612607943252691
EOS-3-37542,COc1cc(-c2nnc3cncc(OCCc4cnc5ccccn45)n23)ccc1-c1ccccn1,DDKDHVTVVKARNY-UHFFFAOYSA-N,3,1,0.45,11,777,463.501,4.131,6,0.351,0.68,1.0,0.5170053457610856,0.32006887807552603,0.4397745185388253,0.37580529093276677,0.4131635083270509
EOS-3-37543,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)c2)nc1,FVLGTGPHHPINHW-UHFFFAOYSA-N,3,1,0.531,73,82,457.853,4.215,5,0.39,0.66,1.0,0.6951631142485094,0.7276745939277637,0.6259166609553835,0.6949061065040093,0.6859151189089164
EOS-3-37544,Fc1cncc(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)c1F,QZKJEIXALKFEOF-UHFFFAOYSA-N,3,1,0.477,97,666,416.391,4.106,5,0.429,0.7,1.0,0.819657665684326,0.6946833664587759,0.8664159413336988,0.8514923583030636,0.8080623329449661
EOS-3-37545,Fc1cnc(Cl)c(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)c1,WQJJAAHCECVLJF-UHFFFAOYSA-N,3,1,0.5,65,778,448.849,3.452,5,0.364,0.6,1.0,0.8250376944691933,0.8055479405112741,0.5958895894729628,0.6341066410801178,0.7151454663833869
EOS-3-37546,COCc1cc(-c2ncc(C)nn2)cc(-c2nnc3cncc(OCc4cccnc4F)n23)c1,XTGYEAIMWHOIQP-UHFFFAOYSA-N,3,1,0.457,89,250,458.457,3.211,5,0.339,0.64,1.0,0.5805719279007607,0.43322082105407445,0.4540727160578439,0.34038962374066206,0.45206377218833527
EOS-3-37547,Clc1cnnc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)c1,KMSDFQDMEPHHEP-UHFFFAOYSA-N,3,1,0.458,87,419,465.304,3.967,5,0.347,0.68,1.0,0.5864916729490782,0.7847474470564046,0.5539630594201905,0.6630028784867384,0.647051264478103
EOS-3-37548,Cn1cnc(-c2cnc(-c3nnc4cncc(OCc5ccnc(CO)c5)n34)cc2Cl)c1,HKSVTFBYVOUNFS-UHFFFAOYSA-N,3,1,0.406,46,62,448.874,2.706,5,0.421,0.59,1.0,0.4746162017682133,0.45961551641422793,0.46102049208416146,0.4137225001713385,0.4522436776094853
EOS-3-37549,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncncc4F)n23)c(F)c1,GHNJMPASZSLGQQ-UHFFFAOYSA-N,3,1,0.451,73,79,420.383,2.839,5,0.431,0.6,1.0,0.595367007059146,0.5272342539921869,0.5926684257418957,0.5544770749091906,0.5674366904256049
EOS-3-37550,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cnn1,URJPZPCCVIPPFG-UHFFFAOYSA-N,3,1,0.447,81,2,462.477,3.018,6,0.367,0.6,1.0,0.5019361250085669,0.24844081968336645,0.18856658213967514,0.18256973476800767,0.28037831539990404
EOS-3-37551,N#Cc1cccc(COc2cncc3nnc(-c4cccc(-c5ccccc5F)c4)n23)n1,GCSCYHUHZSZKPT-UHFFFAOYSA-N,3,1,0.541,1,347,422.423,4.443,5,0.416,0.71,1.0,0.7133078610102118,0.8013844150503735,0.8719587416900829,0.8663731067096155,0.8132560311150709
EOS-3-37553,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5F)n4C)n23)c(F)c1,DNBPFJSFTIXNLB-UHFFFAOYSA-N,3,1,0.326,8,765,471.435,2.723,6,0.36,0.62,0.991,0.1055445137413474,0.2946593790692893,0.15969604550750463,0.23403981906654786,0.19848493934617228
EOS-3-37554,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(Cl)cc(Cc5nnco5)n4)n23)cc1,CDFHXIBURPTTHQ-UHFFFAOYSA-N,3,1,0.317,98,882,470.884,3.276,6,0.373,0.63,1.0,0.16517887739017204,0.25821568089918445,0.1821413885271743,0.24296655472551573,0.21212562538551163
EOS-3-37555,COc1ccc(-c2nnc3cncc(OCc4cnnc(-c5nnn(C)n5)c4)n23)cn1,STYMEFPMTFULPX-UHFFFAOYSA-N,3,1,0.435,92,571,417.393,0.754,5,0.386,0.69,1.0,0.3438592282914125,0.14860187786991982,0.022265437598519636,0.009517853471317936,0.13106109930779247
EOS-3-37556,CCn1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1cncs1,XPMDJOXOIAXRCJ-UHFFFAOYSA-N,3,1,0.462,65,569,436.476,3.287,5,0.386,0.63,0.994,0.2532211637310671,0.14122575560276884,0.13210198067301762,0.15548968542252073,0.17050964635734359
EOS-3-37557,Fc1ccnc(-c2ccnc(COc3cncc4nnc(-c5cc(F)c(Cl)cn5)n34)c2)c1,VKILPSFPWABNMO-UHFFFAOYSA-N,3,1,0.472,46,267,451.824,4.154,5,0.396,0.59,0.998,0.6831437187307244,0.8248492221232266,0.8337245562332944,0.8582602289082311,0.7999944314988691
EOS-3-37558,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncnn5C)nc(F)c4F)n23)nc1,YUJFQSCBZPXTFA-UHFFFAOYSA-N,3,1,0.385,46,45,435.398,2.542,5,0.388,0.57,0.976,0.504540470152834,0.3583373312315811,0.292217805496539,0.26076862449455146,0.3539660578438764
EOS-3-37559,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)c(F)c5)n34)c2)nn1,DQGCTBOJESYEMI-UHFFFAOYSA-N,3,1,0.345,42,171,461.464,4.215,6,0.384,0.61,1.0,0.32431807278459324,0.3867024192995682,0.5926769926667124,0.6043622781166472,0.4770149407168802
EOS-3-37560,Clc1ccc(-c2cncc(-c3cncc4nnc(-c5cccnc5-c5cccnn5)n34)c2)nn1,CDPAVLKLWRRJFN-UHFFFAOYSA-N,3,1,0.274,70,887,464.88,3.816,6,0.383,0.6,0.993,0.17885168939757384,0.25325543143033374,0.35503049825234734,0.445325885820026,0.30811587622507025
EOS-3-37561,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cn5)n34)n2)nn1,HENMZMXDPWXBSG-UHFFFAOYSA-N,3,1,0.375,99,833,466.469,1.751,6,0.356,0.61,0.938,0.17049893770132274,0.12346652045781646,0.04011890891645535,0.0257607429237201,0.08996127749982867
EOS-3-37562,Cc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cn5)n34)o2)nn1,GUJZDEXXKZXLRZ-UHFFFAOYSA-N,3,1,0.28,86,652,451.454,2.711,6,0.393,0.55,0.998,0.09790281680487972,0.048728668357206496,0.03336817216092112,0.020714824206702762,0.05017862038242752
EOS-3-37563,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)cc1Cl,XYBYKDNZOXJFPL-UHFFFAOYSA-N,3,1,0.76,91,883,445.885,5.267,5,0.356,0.8,1.0,0.9455828935645261,0.92531354944829,0.9289373586457406,0.9368531971763416,0.9341717497087246
EOS-3-37564,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)c(F)c1,DTMVCXCWKRHXBM-UHFFFAOYSA-N,3,1,0.33,98,765,472.875,3.627,6,0.361,0.68,1.0,0.03785724076485505,0.25326399835515045,0.46440442738674526,0.5414382153382222,0.3242409704612432
EOS-3-37565,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3snc(Cl)c3F)n12,XGDIKAPWAZSGNB-UHFFFAOYSA-N,3,1,0.483,47,164,446.83,3.544,5,0.44,0.57,1.0,0.7582670824480844,0.8286700705914605,0.49545952984716607,0.5833990130902611,0.666448923994243
EOS-3-37566,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccccn5)cc(F)n4)n23)cn1,UXVRMMWRBDXBLG-UHFFFAOYSA-N,3,1,0.44,7,181,414.404,3.065,5,0.404,0.72,1.0,0.4621855938592283,0.39604036734973613,0.3179442807209924,0.28142348022753755,0.3643984305393736
EOS-3-37567,Cc1ncc(-c2cc(-c3cncc4nnc(-c5cnccc5-c5cccc(F)c5)n34)ccn2)cn1,PFHIIHYJFHKASV-UHFFFAOYSA-N,3,1,0.337,42,106,460.476,4.82,6,0.372,0.72,1.0,0.3065674045644575,0.35329997943938046,0.7118857514906449,0.7116458775957782,0.5208497532725653
EOS-3-37568,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)nc1,KQJQGJLZPLWNHS-UHFFFAOYSA-N,3,1,0.375,33,53,465.437,1.266,5,0.343,0.59,0.975,0.37381776437529984,0.137507710232335,0.10676101706531424,0.06185319717634158,0.16998492221232264
EOS-3-37569,COc1ccc(-c2cc(F)nc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)c2)nc1,UKQZPQOFLKRZFA-UHFFFAOYSA-N,3,1,0.388,58,602,462.42,2.947,5,0.337,0.62,0.884,0.5428860256322391,0.5135014735110685,0.41010725789870467,0.34677198272907955,0.45331668494277294
EOS-3-37570,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)n(C)n2)n1,ZZCLDEDZTJPASC-UHFFFAOYSA-N,3,1,0.413,31,828,438.904,3.584,5,0.413,0.58,1.0,0.29357994654238917,0.3147145500651086,0.15639777945308753,0.17977691727777398,0.23611729833458983
EOS-3-37571,Fc1cc(C(F)(F)F)ncc1COc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,KVFJXXPLRFLXFW-UHFFFAOYSA-N,3,1,0.473,55,540,468.374,3.775,5,0.359,0.67,1.0,0.9038791035569872,0.9121547529298882,0.9404684394489754,0.8547991912822973,0.902825371804537
EOS-3-37572,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4cncc(-c5nnn(C)n5)c4)n23)cn1,WPASNWKQXUBODQ-UHFFFAOYSA-N,3,1,0.267,86,953,464.453,1.904,6,0.368,0.59,0.999,0.134929065862518,0.06772154067575903,0.04454800904667261,0.033539510657254475,0.07018453156055103
EOS-3-37573,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4F)n23)cc1,CYWVPFKOONVBAU-UHFFFAOYSA-N,3,1,0.46,67,722,454.425,4.173,6,0.382,0.61,1.0,0.6405832362415187,0.6079004180659311,0.5958981563977794,0.5180590775135357,0.5906102220546913
EOS-3-37574,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5cncc(C(F)F)c5)n34)c2)cn1,DWCNPAHAVLDWSY-UHFFFAOYSA-N,3,1,0.483,16,388,447.449,4.586,5,0.363,0.72,1.0,0.3529230347474471,0.30965149749845794,0.8433366458775958,0.7511736686998834,0.564271211705846
EOS-3-37575,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)[nH]c1F,JKDJXGLRBFFMPT-UHFFFAOYSA-N,3,1,0.646,59,294,437.385,3.881,5,0.449,0.58,1.0,0.9131656500582551,0.8013929819751902,0.8320111712699609,0.8035861147282571,0.8375389795079159
EOS-3-37576,COc1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)nn2)s1,VKHPWNGXQHEEOF-UHFFFAOYSA-N,3,1,0.277,99,286,456.455,1.956,6,0.404,0.58,0.118,0.2532297306558838,0.23287471729148104,0.009749160441367966,0.006510862860667535,0.12559111781235008
EOS-3-37577,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)n(C)n1,ZQSLWZCNPKARJS-UHFFFAOYSA-N,3,1,0.548,4,677,415.432,3.613,5,0.436,0.7,1.0,0.5119594270440683,0.5046518401754506,0.47822287711603045,0.4296055787814406,0.48110993077924746
EOS-3-37578,Fc1cnc(-c2ncncc2-c2nnc3cncc(OCCc4ccncc4)n23)nc1,USZDEHGBSLUBQT-UHFFFAOYSA-N,3,1,0.512,65,262,415.392,2.194,5,0.411,0.68,1.0,0.698033034062093,0.6175125077102324,0.17253786580768968,0.18800973202659174,0.4190232849016517
EOS-3-37579,Cc1nnc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1-c1ccc(Cl)c(F)c1,NRDMPXROOOVPJO-UHFFFAOYSA-N,3,1,0.467,59,153,465.851,4.462,5,0.354,0.73,0.99,0.784353368514838,0.7719912960043863,0.8433452128024125,0.854807758207114,0.8136244088821877
EOS-3-37580,CCc1cnc(COc2cncc3nnc(-c4ccc(-c5nncn5CC)cc4)n23)cn1,ZZELZXGRXMNUKW-UHFFFAOYSA-N,3,1,0.466,36,734,427.472,3.001,5,0.39,0.59,1.0,0.3898978822561853,0.19381810705229252,0.07354704955109313,0.047880542800356383,0.17628589541498182
EOS-3-37581,c1cnc(-c2ccsc2)c(-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)c1,OWARMZYWSAKMHF-UHFFFAOYSA-N,3,1,0.278,70,392,435.476,3.829,6,0.411,0.59,0.902,0.11318621067781509,0.10410527037214722,0.28495305325200465,0.32423240353642657,0.2066192344595984
EOS-3-37582,COc1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1cnn(C)c1,PGCUQZWNRTZEOA-UHFFFAOYSA-N,3,1,0.371,92,94,449.862,2.618,5,0.385,0.57,0.988,0.3644112809265986,0.34857103694057984,0.20946131176752794,0.14538071413885273,0.26695608594338976
EOS-3-37583,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)n5C)ccn4)n23)cn1,JOGGLPXOHGLUAU-UHFFFAOYSA-N,3,1,0.518,92,205,413.445,2.573,5,0.432,0.76,1.0,0.2963299294085395,0.18933760537317523,0.0735556164759098,0.04525049688163937,0.151118412034816
EOS-3-37585,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cncnn5)nn4)n23)nc1,XCNABRMIXZTLGC-UHFFFAOYSA-N,3,1,0.271,86,953,421.388,1.076,6,0.402,0.59,0.92,5.9968473716674664e-05,0.002244534301966966,0.016200054828318825,0.02478411349461997,0.010822167774655608
EOS-3-37586,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnnc5)n4)n23)o1,REOHSNIVRLFPLM-UHFFFAOYSA-N,3,1,0.245,76,259,422.412,2.699,6,0.421,0.57,1.0,0.036503666643821535,0.0051058871907340144,0.11812075937221575,0.13377253101226783,0.07337571105475979
EOS-3-37587,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ncccc4F)nc(Cl)n3)n12,YTAHNOACJIPWGN-UHFFFAOYSA-N,3,1,0.447,18,904,466.839,3.591,5,0.35,0.67,1.0,0.7644095675416352,0.6749109039819067,0.5436056473168391,0.6106418340072648,0.6483919882119115
EOS-3-37588,CCn1cnc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cccnc6F)c5)n34)cc2)n1,NDMPYRXDRQVZRQ-UHFFFAOYSA-N,3,1,0.307,9,725,463.48,4.333,6,0.351,0.73,1.0,0.22054691248029606,0.2582242478240011,0.42496230553080666,0.41687512850387226,0.330152148584744
EOS-3-37589,CCn1cc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)c(-c2cccc(C)n2)n1,AYYMRBYDKHTIRU-UHFFFAOYSA-N,3,1,0.248,86,495,460.505,3.897,6,0.381,0.62,0.356,0.040872798300322116,0.007376122267150983,0.08219964361592763,0.08672297991912822,0.05429288602563224
EOS-3-37590,COc1ccc(-c2cccnc2F)nc1COc1cncc2nnc(-c3ccc(F)nc3)n12,LJXLFUBRZVWGGN-UHFFFAOYSA-N,3,1,0.438,97,390,447.405,3.509,5,0.365,0.63,0.708,0.6649047357960387,0.7046724007950106,0.6288808169419505,0.5245185388253033,0.6307441230895758
EOS-3-37591,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ocnc4-c4ccccc4)n23)cn1,IQASSQKLBFNIQK-UHFFFAOYSA-N,3,1,0.435,28,363,450.462,3.821,6,0.377,0.65,1.0,0.5301127407305873,0.3147231169899253,0.23066445068878075,0.20181104790624357,0.31932783907888423
EOS-3-37592,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6)cs5)n34)cn2)n1,ZTYURWWXPAYKRV-UHFFFAOYSA-N,3,1,0.462,6,843,469.49,3.642,6,0.356,0.75,1.0,0.41369679939688847,0.41522171201425534,0.07991227468987733,0.06512576245630869,0.24348913713933246
EOS-3-37593,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccnc(F)c6)n5)n34)cc2)nc1,FZJUXEPUXJKYIR-UHFFFAOYSA-N,3,1,0.314,3,783,453.416,3.774,6,0.375,0.59,1.0,0.054648413405523955,0.23795490370776506,0.620356726749366,0.6630114454115551,0.3939928723185525
EOS-3-37594,Cc1cc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)cnn4)n23)n(C)n1,CRLVRYCIGSACPR-UHFFFAOYSA-N,3,1,0.387,53,65,418.396,1.798,5,0.42,0.65,1.0,0.32957816462202727,0.30457131108217395,0.07125111370022617,0.05742409704612432,0.19070617161263792
EOS-3-37595,CC(O)(F)Cc1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5)cc4F)n23)cn1,SHGPYYLQHHEQSP-UHFFFAOYSA-N,3,1,0.369,96,204,444.445,4.275,5,0.435,0.62,0.993,0.41145226509492155,0.5180162428894524,0.9010862860667535,0.8616527311356316,0.6730518812966897
EOS-3-37596,COc1ccc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4cnc(C)cn4)c3)n12,MPUXWKWFWDIFDC-UHFFFAOYSA-N,3,1,0.489,97,521,458.909,4.798,5,0.361,0.72,1.0,0.6980416009869097,0.6557895277911041,0.747806867246933,0.6486704132684532,0.68757710232335
EOS-3-37597,COc1cc(-c2nnc3cncc(OCc4ncn(C)n4)n23)ccc1-c1ccccc1,LSKBNJRRBKCCNQ-UHFFFAOYSA-N,3,1,0.453,1,936,413.441,3.174,5,0.422,0.73,1.0,0.33195976972106095,0.2077393598793777,0.2887482009457885,0.22835138098828045,0.2641996778836269
EOS-3-37598,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(-c5nnco5)cc4F)n23)cc1,RJUHBCOFGKRWEU-UHFFFAOYSA-N,3,1,0.465,67,722,472.415,4.312,6,0.365,0.7,1.0,0.6919333835926256,0.6457919265300528,0.6991638681378932,0.6252484408196833,0.6655344047700638
EOS-3-37599,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4cncs4)ccn3)n12,WLAFUEFGIORSCX-UHFFFAOYSA-N,3,1,0.458,18,840,418.486,2.973,5,0.418,0.68,1.0,0.187461448838325,0.10411383729696388,0.08488109108354465,0.06513432938112534,0.11039767664998971
EOS-3-37600,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)nc1,CLZUTZAEAPQMKB-UHFFFAOYSA-N,3,1,0.5,97,89,450.836,4.759,5,0.359,0.72,1.0,0.90047803440477,0.8553903090946474,0.9218782125968062,0.9245682269892399,0.900578695771366
EOS-3-37601,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1ccncc1,KSTJGLZHESYHGI-UHFFFAOYSA-N,3,1,0.537,97,89,450.836,4.759,5,0.359,0.72,1.0,0.9416506750736755,0.912163319854705,0.9457970666849428,0.9474419162497429,0.9367632444657665
EOS-3-37602,Fc1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1-c1ccccn1,DHOYJTZQVTXZDE-UHFFFAOYSA-N,3,1,0.517,59,89,450.836,4.759,5,0.359,0.72,1.0,0.952779110410527,0.9253221163731067,0.9254591871701734,0.9297597834281406,0.933330049345487
EOS-3-37603,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6F)nc5)n34)nc2)c1,HBCPXIWSKHVOMX-UHFFFAOYSA-N,3,1,0.325,32,572,466.455,4.594,6,0.378,0.7,0.996,0.2769087108491536,0.41523027893907205,0.805419436639024,0.8013672812007402,0.5747314269069974
EOS-3-37604,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)s1,ZWKFCLCCLWXYDO-UHFFFAOYSA-N,3,1,0.257,86,652,438.48,3.167,6,0.412,0.56,1.0,0.027808237954903708,0.0289819066547872,0.09201733945582893,0.10458501816188061,0.06334812555685011
EOS-3-37605,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cn[nH]c5-c5cccnn5)n34)nc2)s1,NZQQTKKQHQJBID-UHFFFAOYSA-N,3,1,0.252,70,813,438.48,3.465,6,0.444,0.56,0.852,0.04820608594338976,0.10762627647179768,0.12924919470906723,0.1428791720923857,0.10699018230416009
EOS-3-37606,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)cn1,YSZIWJACXAIPPD-UHFFFAOYSA-N,3,1,0.278,86,812,463.509,3.236,6,0.382,0.65,0.994,0.11319477760263176,0.04519909533273936,0.028562127338770477,0.023199232403536427,0.0525388081694195
EOS-3-37607,COc1cc(Oc2cncc3nnc(-c4ccc(-c5cnc(C)nc5)c(OC)c4)n23)ccc1F,UGOZFPHYYNHMDQ-UHFFFAOYSA-N,3,1,0.512,13,209,458.453,4.505,5,0.367,0.7,1.0,0.7758378452470701,0.617521074635049,0.7927660886848057,0.5834075800150778,0.6923831471455006
EOS-3-37608,Cc1cncc(-c2cccc(CCOc3cncc4nnc(-c5ccc(CO)cc5F)n34)n2)n1,HLKMKGSAYCUKQC-UHFFFAOYSA-N,3,1,0.495,58,579,457.469,3.205,5,0.397,0.57,1.0,0.6710986224384895,0.7046809677198272,0.48886299773833186,0.4168836954286889,0.5703815708313343
EOS-3-37609,CCc1nc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1ncc(CO)cn1,GFKFMHDIXDXRBZ-UHFFFAOYSA-N,3,1,0.463,7,690,445.508,3.339,5,0.406,0.64,0.365,0.38301864162840105,0.3438934959906792,0.1210078130354328,0.09050099376327873,0.23460523610444795
EOS-3-37610,Cn1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)n1,XZTJVZQYOAEDMH-UHFFFAOYSA-N,3,1,0.379,46,395,419.836,2.609,5,0.4,0.65,0.998,0.23430539373586456,0.3388047426495785,0.2590723733808512,0.2607771914193681,0.2732399252964156
EOS-3-37611,Cc1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1cncn1CCF,HBLKTXFVGCBDIZ-UHFFFAOYSA-N,3,1,0.495,13,573,451.412,4.398,5,0.381,0.65,0.998,0.592479953395929,0.5316376533479542,0.6991724350627099,0.6863477486121582,0.6274094476046878
EOS-3-37612,Fc1cc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)ccn2)ccn1,LOYRRGDPTSPEOM-UHFFFAOYSA-N,3,1,0.482,73,980,451.824,4.154,5,0.371,0.64,1.0,0.8144232746213419,0.8321311082173943,0.8771417312041669,0.8839010348845179,0.8518992872318553
EOS-3-37613,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1,XJZKZGGMMTVAKH-UHFFFAOYSA-N,3,1,0.489,59,630,464.407,3.737,5,0.382,0.67,1.0,0.8144318415461586,0.8355236104447947,0.92546775409499,0.8935388253032691,0.8672405078473032
EOS-3-37614,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c(C)ccn6C)cn5)n34)cc2)n(C)n1,TYGZFAYEUKUUMY-UHFFFAOYSA-N,3,1,0.312,38,193,461.533,4.271,6,0.389,0.64,1.0,0.10300870399561374,0.09769721060927969,0.25908094030566786,0.20491227468987733,0.16617478240010963
EOS-3-37615,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1cnc(C)n1C,DDEZKNFWWLEGJY-UHFFFAOYSA-N,3,1,0.528,4,248,461.913,4.136,5,0.375,0.67,1.0,0.530121307655404,0.5046604071002673,0.5335052429579878,0.41689226235350557,0.4962948050167912
EOS-3-37616,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cnn1,KECAOUUGQMGXLJ-UHFFFAOYSA-N,3,1,0.449,65,778,447.89,3.135,5,0.35,0.63,1.0,0.42539065177164004,0.4152388458638887,0.2554999657323007,0.2668168734151189,0.34073658419573705
EOS-3-37617,CCOc1ncc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)cc1-c1ccccn1,UPEMJYAEZKSJIS-UHFFFAOYSA-N,3,1,0.421,92,662,442.483,3.268,5,0.378,0.65,0.995,0.21783119731341238,0.11993694743334933,0.12626790487286685,0.05743266397094099,0.1303671783976424
EOS-3-37618,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5cccnc5Cl)n34)cn2)cs1,MKBIDWUFHVWOFY-UHFFFAOYSA-N,3,1,0.42,24,786,421.873,4.459,5,0.395,0.81,1.0,0.6122952504968816,0.6749194709067233,0.37778425056541703,0.3823332876430676,0.5118330649030224
EOS-3-37619,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnc(C)nc5)c(Cl)c4)n23)n1,XHFMRZZOYOGPEQ-UHFFFAOYSA-N,3,1,0.562,4,716,449.927,4.554,5,0.388,0.71,1.0,0.5428945925570557,0.680033925022274,0.385031868960318,0.36941436501953256,0.49434368788979505
EOS-3-37620,Cn1cncc1-c1nnc2cncc(OCc3ccc(F)c(-c4cnc(C(F)(F)F)nc4)c3)n12,BCYADXTVJGEKQA-UHFFFAOYSA-N,3,1,0.444,27,900,470.39,3.719,5,0.361,0.66,1.0,0.5667449112466589,0.4377612912069084,0.9075800150777876,0.7925433486395723,0.6761573915427319
EOS-3-37621,CCn1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)c2)cc1=O,YFZINZLTCCNQPP-UHFFFAOYSA-N,3,1,0.452,13,145,462.872,4.62,5,0.379,0.72,1.0,0.5507161949146734,0.5938934959906792,0.7501970392707834,0.7715029812898362,0.6665774278664931
EOS-3-37622,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)no5)n34)cc2)c1,IGYFUSIUKCRJJD-UHFFFAOYSA-N,3,1,0.425,93,107,434.434,5.314,6,0.374,0.85,1.0,0.2935885134672058,0.43776985813172503,0.7043554245767939,0.7855613049139881,0.5553187752724282
EOS-3-37623,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cn2)cn1,HYUSAWDIIIGHFN-UHFFFAOYSA-N,3,1,0.453,4,205,412.457,3.178,5,0.437,0.79,1.0,0.3091717497087246,0.21267390857377835,0.2232797614968131,0.1316050990336509,0.21918262970324173
EOS-3-37624,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)cn1,GBKRTKRQLJKWCS-UHFFFAOYSA-N,3,1,0.402,80,34,448.45,3.231,6,0.391,0.59,1.0,0.429905421150024,0.2789305051058872,0.16927386745253922,0.13161366595846755,0.2524308649167295
EOS-3-37625,Cc1ccc(-c2nnc3cncc(OCc4nnc(-c5cnc(F)nc5)s4)n23)nn1,AOXREHJSYLLVEY-UHFFFAOYSA-N,3,1,0.407,53,587,422.409,1.916,5,0.387,0.63,0.981,0.38077410732643413,0.42424268384620656,0.023336303200603113,0.023207799328353096,0.2128902234253992
EOS-3-37626,COc1cc(Cl)ccc1-c1ccc(Oc2cncc3nnc(-c4ccc(C)nc4)n23)nc1,OJRHRHFOOSNFCK-UHFFFAOYSA-N,3,1,0.444,13,412,444.882,5.011,5,0.376,0.76,1.0,0.7405421150023987,0.7590809403056679,0.7708861627030361,0.6805565074360908,0.7377664313617984
EOS-3-37627,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnn(C)n5)n4)n23)cc1,LQVQTSIRGZPJMQ-UHFFFAOYSA-N,3,1,0.394,85,784,416.876,3.534,5,0.445,0.67,1.0,0.25323829758070043,0.3096600644232746,0.2849616201768213,0.34678054965389626,0.29866013295867316
EOS-3-37628,Cc1nc(-c2ccc(F)c(C)c2F)ccc1-c1nnc2cncc(-c3cccnn3)n12,BYUVVLXFFCLFKL-UHFFFAOYSA-N,3,1,0.317,22,140,415.407,4.205,5,0.439,0.7,0.998,0.31940922486464257,0.4012319237886368,0.7353419916386814,0.7221660612706463,0.5445373003906517
EOS-3-37629,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6)nn5)n34)cc2)cc1,JTWQHMOYGUBKLP-UHFFFAOYSA-N,3,1,0.326,93,991,447.477,5.154,6,0.374,0.77,1.0,0.02530669590843671,0.24844938660818314,0.79969673086149,0.8345726817901447,0.4770063737920636
EOS-3-37630,FC(F)n1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)nn1,BWHCLEHVZFNQOK-UHFFFAOYSA-N,3,1,0.264,98,63,458.396,2.687,6,0.413,0.55,0.794,0.14308477828798574,0.15252552943595368,0.27380748406551986,0.29334007264752243,0.21568946610924544
EOS-3-37631,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccn4)n23)c(Cl)c1,UCTAHXZYSDUBHW-UHFFFAOYSA-N,3,1,0.337,32,935,465.908,4.364,6,0.381,0.69,1.0,0.20136556781577686,0.2532725652799671,0.39608320197381947,0.4793451442670139,0.3325166198341444
EOS-3-37632,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)nc1,GBYKYGPWVKWYIT-UHFFFAOYSA-N,3,1,0.372,63,505,406.837,2.113,5,0.505,0.81,1.0,0.11587622507024878,0.1412343225275855,0.046304228634089506,0.09437324378041258,0.09944700500308408
EOS-3-37633,Cc1noc(-c2cncc(-c3nnc4cncc(OCCc5ncc(F)c(C)n5)n34)c2)n1,QPGXZOGNNLWKTK-UHFFFAOYSA-N,3,1,0.439,65,858,433.407,2.404,5,0.393,0.62,1.0,0.5325628812281543,0.4286974847508738,0.05353471317935714,0.04265471866218902,0.2643624494551436
EOS-3-37634,Cn1nnc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(=O)NCC#N)cc5)n34)c2)n1,IZCBZZYEQCPHNF-UHFFFAOYSA-N,3,1,0.433,36,926,468.441,0.604,5,0.331,0.65,1.0,0.36441984785141524,0.19382667397710918,0.047837708176273044,0.023901720238503187,0.15749648756082518
EOS-3-37635,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)s2)nc1,KRDDKRCOBYLELS-UHFFFAOYSA-N,3,1,0.518,40,8,454.475,3.939,6,0.369,0.68,1.0,0.527645466383387,0.4906277842505654,0.2270063737920636,0.1960026728805428,0.3603205743266397
EOS-3-37636,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)ccn1,VYECZVPOVKSVEI-UHFFFAOYSA-N,3,1,0.536,4,43,434.912,4.851,5,0.393,0.72,1.0,0.6772154067575903,0.6605099033650881,0.6318278390788843,0.6106504009320814,0.6450508875334111
EOS-3-37637,Cn1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)c2)n1,WZAYSXOPBNFSBM-UHFFFAOYSA-N,3,1,0.484,27,69,452.4,3.638,5,0.363,0.63,1.0,0.47717771228839695,0.5841957370982113,0.7502056061956001,0.622498457953533,0.6085193783839353
EOS-3-37638,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(C(F)(F)F)cn5)n34)cn2)ccn1,AVLCYSAGWDLTAN-UHFFFAOYSA-N,3,1,0.349,50,243,438.348,3.863,5,0.312,0.73,0.993,0.2963384963333562,0.49063635117538207,0.9492067027619766,0.9172006716469057,0.6633455554794052
EOS-3-37639,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCc5nc(Cl)ccc5F)n34)ccn2)c1,FVNOPJCGNWULLA-UHFFFAOYSA-N,3,1,0.457,97,183,457.856,4.491,5,0.358,0.72,1.0,0.8065931053389076,0.8785295730244671,0.8733123158111165,0.8854259475018847,0.860965235419094
EOS-3-37640,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)cn2)cn1,PYXZJXDKXPLMTJ-UHFFFAOYSA-N,3,1,0.533,65,981,462.876,3.761,5,0.375,0.62,1.0,0.8829843739291344,0.9034850250154205,0.5539716263450072,0.5414467822630389,0.7204719518881503
EOS-3-37641,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cn2)cnc1Cl,LMOSMBGPLNGQSI-UHFFFAOYSA-N,3,1,0.5,65,981,462.876,3.761,5,0.375,0.62,1.0,0.8667928860256322,0.9198135837159893,0.4610290590089781,0.4764152559797135,0.6810126961825783
EOS-3-37643,Cn1ncnc1-c1cncc(-c2cncc3nnc(-c4nccnc4-c4ncc(Cl)cn4)n23)c1,BRYGJJBTZRSOIA-UHFFFAOYSA-N,3,1,0.247,86,249,468.872,2.549,6,0.379,0.6,0.951,0.08148002193132753,0.14484956480021932,0.05145295044890686,0.09635220341306285,0.09353368514837913
EOS-3-37644,Cc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccc(F)nc5)c4)n23)n(C)n1,LXGWRGOICGAIQN-UHFFFAOYSA-N,3,1,0.435,4,662,450.865,3.662,5,0.377,0.64,1.0,0.4137053663217052,0.518024809814269,0.4888715646631485,0.47046981015694606,0.4727678877390172
EOS-3-37645,Cc1nc(-c2cnnn2C)cc(-c2cncc3nnc(-c4ccc(-c5nc(C)nn5C)cc4)n23)n1,NAXFJIMWGWHOJI-UHFFFAOYSA-N,3,1,0.312,98,882,464.497,2.456,6,0.386,0.57,1.0,0.06175039407854157,0.048737235282023166,0.030755260091837433,0.019189911589335893,0.04010820026043451
EOS-3-37646,Cn1cnnc1-c1cc(-c2cccc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)no1,UIATVPTZDGDGRQ-UHFFFAOYSA-N,3,1,0.462,56,795,466.465,2.653,6,0.345,0.68,1.0,0.38302720855321776,0.23288328421629773,0.06115927626619149,0.0604910561304914,0.1843902062915496
EOS-3-37648,Clc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,NKHGZHZKXJMLHH-UHFFFAOYSA-N,3,1,0.57,58,28,435.9,3.98,5,0.372,0.67,1.0,0.667757521759989,0.8209084367075594,0.3031492015626071,0.34361078747172913,0.5338564868754712
EOS-3-37649,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(C#N)cs5)n34)cn2)cn1C,CMUDFBUXQYKNCO-UHFFFAOYSA-N,3,1,0.435,7,464,429.469,2.802,5,0.418,0.61,1.0,0.45763655678157766,0.4640960180933452,0.10435371119183058,0.0702573504214927,0.27408590912206154
EOS-3-37650,c1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncon6)cn5)n34)cc2)no1,NJFPETYLGRRCBQ-UHFFFAOYSA-N,3,1,0.494,80,8,440.383,2.26,6,0.373,0.6,1.0,0.4720289904735796,0.3533085463641971,0.0920259063806456,0.07980090466726064,0.24929108697142072
EOS-3-37651,Cc1nn(C)c(C)c1-c1cc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)cnn1,MXPQMJMCZYHNTJ-UHFFFAOYSA-N,3,1,0.435,92,105,448.878,2.621,5,0.373,0.61,0.998,0.38527174285518473,0.4419076828181756,0.07561167843191008,0.06678774587074224,0.24239471249400316
EOS-3-37652,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccn1,CNBKKSVRMTYXJJ-UHFFFAOYSA-N,3,1,0.563,75,698,449.396,3.682,5,0.365,0.64,0.995,0.8754112123912,0.852383318483997,0.7778596395038038,0.7615139469536015,0.8167920293331505
EOS-3-37653,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)n(C)n4)n23)c1Cl,KRKHQNYPKYTVEW-UHFFFAOYSA-N,3,1,0.453,95,477,446.902,3.565,5,0.393,0.63,1.0,0.3852803097800014,0.3485796038653965,0.23766362826399837,0.2638184497292852,0.30883549790967035
EOS-3-37654,Cc1nc(Cl)ccc1-c1cncc2nnc(-c3nccnc3-c3ncc(F)cn3)n12,UPFSGAJUPUVTQN-UHFFFAOYSA-N,3,1,0.304,50,206,419.811,3.201,5,0.41,0.63,0.998,0.2718285244328696,0.3583458981563978,0.1885751490644918,0.302558083750257,0.28032691385100406
EOS-3-37655,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cn2)n1,QHIUWKXOHFEEMU-UHFFFAOYSA-N,3,1,0.416,7,128,419.836,2.609,5,0.427,0.58,1.0,0.3738263313001165,0.4772633815365636,0.1954201219930094,0.21671749708724555,0.3158068329792338
EOS-3-37656,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)nn2C)c(C)n1,DUKVAKXITRZOLS-UHFFFAOYSA-N,3,1,0.424,31,569,430.476,2.128,5,0.386,0.59,0.885,0.08584915358782812,0.0019960934822835993,0.024175861832636557,0.013030292646151737,0.031262850387225004
EOS-3-37657,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)cc2F)ccn1,LYZWNWXCLWAJNT-UHFFFAOYSA-N,3,1,0.472,36,610,416.42,3.008,5,0.435,0.65,1.0,0.46480707285312867,0.472765746007813,0.3813909259132342,0.3403981906654787,0.4148404838599136
EOS-3-37658,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)nc6F)nn5)n34)cc2)n(C)n1,IJEPXBSLJIPYAQ-UHFFFAOYSA-N,3,1,0.333,98,882,471.435,2.816,6,0.36,0.64,1.0,0.01817901446096909,0.17671852511822356,0.20591460489342744,0.23715817969981495,0.15949258104310876
EOS-3-37659,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)s4)n23)nc1,KINWAJVWHLSJIO-UHFFFAOYSA-N,3,1,0.326,70,687,448.515,4.742,6,0.384,0.71,1.0,0.03786580768967172,0.09155472551572888,0.28875676787060517,0.2933486395723391,0.1778814851620862
EOS-3-37660,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nc2F)n[nH]1,DFYMKCCCIDMJKT-UHFFFAOYSA-N,3,1,0.378,46,564,455.816,3.185,5,0.401,0.58,0.999,0.6861335754917415,0.6263193064217668,0.4921526968679323,0.52452710575012,0.5822831711328902
EOS-3-37661,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)cc2F)c1,CAVRDUKYVNMNSO-UHFFFAOYSA-N,3,1,0.494,16,772,437.385,3.583,5,0.391,0.6,1.0,0.9038876704818039,0.771999862929203,0.8882444657665685,0.8531886094167638,0.8543301521485847
EOS-3-37662,COc1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc(-c2cn(C)nc2C)n1,PLYLEGQFIZGQLI-UHFFFAOYSA-N,3,1,0.396,31,128,463.889,2.926,5,0.374,0.63,1.0,0.35293160167226373,0.3821876499211843,0.1094852991570146,0.07980947159207731,0.231103505585635
EOS-3-37663,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(F)c2)s1,NHMPOMBGMLBSIC-UHFFFAOYSA-N,3,1,0.483,16,772,453.89,4.385,5,0.39,0.67,1.0,0.7556113357549175,0.7504197793160168,0.5504591871701734,0.5954955109313961,0.662996453293126
EOS-3-37664,Fc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc1-c1ccccn1,IECAIHLLDXQTRR-UHFFFAOYSA-N,3,1,0.43,46,223,451.824,4.154,5,0.371,0.63,1.0,0.8465749434582962,0.7590895072304845,0.8137122198615585,0.8325166198341444,0.812973322596121
EOS-3-37665,Cn1c(-c2cncc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,UJYQVGPMDRUWSY-UHFFFAOYSA-N,3,1,0.297,8,754,468.431,3.384,6,0.362,0.64,0.92,0.18747001576314165,0.314731683914742,0.355039065177164,0.4517253786580769,0.32724153587828114
EOS-3-37666,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)cn1,VDAFGFCPSFAKMI-UHFFFAOYSA-N,3,1,0.467,4,354,414.404,3.065,5,0.404,0.75,1.0,0.5835960523610445,0.6653159481872387,0.48888013158796517,0.4009663491193201,0.5346896203138921
EOS-3-37667,COc1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1cscn1,BAHDMPWHGGOETG-UHFFFAOYSA-N,3,1,0.436,49,501,449.471,3.474,5,0.372,0.6,0.997,0.6464601466657529,0.5272428209170036,0.31795284764580906,0.2547375094236173,0.43659833116304575
EOS-3-37668,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(Cl)cnn5)c4)n23)cn1,VXSUWRVWOTZLSJ-UHFFFAOYSA-N,3,1,0.329,10,673,469.871,4.289,6,0.379,0.68,0.991,0.011548214652868207,0.23289185114111438,0.6499982866150367,0.7511822356247002,0.4114051470084299
EOS-3-37669,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cnc1OC,MIRKKCSWHSYKFS-UHFFFAOYSA-N,3,1,0.526,26,657,459.485,3.839,5,0.348,0.69,1.0,0.4648156397779453,0.35835446508121443,0.457499485984511,0.3467891165787129,0.4068646768555959
EOS-3-37670,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccccc5F)n34)nc2)ncn1,HNHQXRHHLXAHGM-UHFFFAOYSA-N,3,1,0.5,51,969,418.367,2.896,5,0.402,0.65,1.0,0.6739257076279899,0.7416986498526489,0.5303097800013707,0.5348588170790213,0.6201982386402577
EOS-3-37671,COc1cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1cccc(F)n1,DCHALMIEABLAMG-UHFFFAOYSA-N,3,1,0.438,97,383,460.444,4.423,5,0.347,0.72,1.0,0.8990730587348366,0.7549859502433006,0.8283102597491604,0.7058118017956274,0.7970452676307312
EOS-3-37672,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nc1,VQFWGJYABXCPHG-UHFFFAOYSA-N,3,1,0.535,37,141,465.851,4.196,5,0.347,0.68,1.0,0.8689174833801658,0.8644027140017819,0.7017339455828936,0.7486806935782332,0.7959337091357687
EOS-3-37673,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cncc(C)c5F)n34)c(Cl)c2)n1,RGQYUZXWXXELEM-UHFFFAOYSA-N,3,1,0.482,16,772,451.849,4.225,5,0.391,0.66,1.0,0.6772239736824069,0.67492803783154,0.6174011376876156,0.5834161469398944,0.6382423240353643
EOS-3-37674,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2C)cn1,FKWHFGOJXZKCRK-UHFFFAOYSA-N,3,1,0.466,95,493,412.457,2.912,5,0.423,0.79,1.0,0.27429579878006993,0.10099547666369679,0.20223939414707698,0.15028956205880337,0.1819550579124118
EOS-3-37675,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,YIPIWBRBSGXKHM-UHFFFAOYSA-N,3,1,0.462,65,658,441.455,2.372,5,0.371,0.57,1.0,0.39428414776231924,0.1564834487012542,0.06706188746487561,0.03134637790418751,0.16229396545815913
EOS-3-37676,CCn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)cnn2)cn1,ULBLDDRMZABMDH-UHFFFAOYSA-N,3,1,0.25,86,719,447.466,2.984,6,0.392,0.52,1.0,0.046706874100472896,0.024210129531903227,0.1292577616338839,0.11836063326708245,0.07963384963333561
EOS-3-37677,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(CC(F)F)c5)ccc4F)n23)cn1,NBGCTRICHZMSSK-UHFFFAOYSA-N,3,1,0.455,27,623,465.439,4.341,5,0.356,0.72,1.0,0.532571448152971,0.5891217188677952,0.8811938866424508,0.8185696662326092,0.7053641799739565
EOS-3-37678,Cc1cnc(CCOc2cncc3nnc(-c4cc(F)cc(-c5cnc(C)s5)c4)n23)cn1,JNJWDWWXJGCIOM-UHFFFAOYSA-N,3,1,0.529,87,661,447.499,4.082,5,0.387,0.62,1.0,0.6038739634020972,0.5983140291960798,0.3287900075388938,0.27858782811322047,0.4523914570625728
EOS-3-37679,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nnnn5C)[nH]4)n23)nc1,XLHPULNHYWGBPD-UHFFFAOYSA-N,3,1,0.227,99,286,426.408,0.562,6,0.422,0.56,0.997,0.027816804879720377,0.03789150846412172,0.006887807552600918,0.005208690288534028,0.019451202796244262
EOS-3-37680,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncs5)n4)n23)nc1,VNVIVOPLXGZONF-UHFFFAOYSA-N,3,1,0.461,7,242,438.423,3.616,5,0.396,0.62,0.999,0.49948598451099996,0.5316462202727709,0.4818809540127476,0.42640154890000687,0.4848536769241313
EOS-3-37681,Cc1nc(F)cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)n1,UBHJCGNLLBLRFE-UHFFFAOYSA-N,3,1,0.494,56,19,414.404,3.065,5,0.404,0.73,1.0,0.7376550613391817,0.6997292851757932,0.3960917688986361,0.33394729627852787,0.5418558529230347
EOS-3-37682,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ncccn6)[nH]5)n34)cc2)n1,NOBNPZQCTDNUEO-UHFFFAOYSA-N,3,1,0.286,98,882,422.416,1.829,6,0.45,0.58,1.0,0.05820368720444109,0.0677301076005757,0.036006785004454804,0.036563635117538205,0.049626053731752454
EOS-3-37683,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)nc5)n34)nc2)n1C,XAXLPFWGJVQKGG-UHFFFAOYSA-N,3,1,0.329,76,968,464.468,3.553,6,0.364,0.61,0.999,0.1903827702008087,0.2434548694400658,0.19542868891782605,0.21935610993077925,0.21215560962236996
EOS-3-37684,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)cc1,GUBMUIJZKAHQNV-UHFFFAOYSA-N,3,1,0.535,27,770,436.447,4.826,5,0.38,0.74,1.0,0.8754197793160168,0.842531354944829,0.7908213967514222,0.7382376122267151,0.8117525358097457
EOS-3-37685,Fc1ccc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,OSNSROKGQNTFGY-UHFFFAOYSA-N,3,1,0.403,69,695,434.434,5.314,6,0.374,0.8,1.0,0.34632650263861287,0.4906449181001988,0.7708947296278528,0.807689671715441,0.6038889555205263
EOS-3-37686,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(C)c(F)cn5)n34)nc2F)n(C)n1,LOIQFXXATVCNLB-UHFFFAOYSA-N,3,1,0.415,31,223,449.425,2.851,5,0.377,0.61,1.0,0.3714104585018162,0.3960489342745528,0.1988297580700432,0.17150983482968954,0.28444974641902543
EOS-3-37687,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)nc2F)cn1,FVJTWAJWSMCZBY-UHFFFAOYSA-N,3,1,0.4,37,814,452.4,3.021,5,0.366,0.61,1.0,0.5639092591323418,0.4772719484613803,0.6232866150366665,0.5984082653690631,0.5657190219998629
EOS-3-37688,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(CO)c5)cn4)n23)cc1,YZXGYCJHUQAHJI-UHFFFAOYSA-N,3,1,0.275,9,339,461.489,3.203,6,0.416,0.56,1.0,0.06175896100335823,0.041532451511205534,0.45044033993557675,0.4169008292783222,0.24265814543211567
EOS-3-37689,Cn1c(-c2cncc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnc4F)nc3)n12,OBAOWHOBNIPQLV-UHFFFAOYSA-N,3,1,0.33,8,754,468.431,3.384,6,0.362,0.63,0.691,0.17886025632239053,0.3096686313480913,0.32514049756699337,0.4201134260845727,0.308445702830512
EOS-3-37690,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)ccn2)cn1,MWILWIKIVHNLGS-UHFFFAOYSA-N,3,1,0.59,75,524,461.888,4.366,5,0.371,0.65,1.0,0.7816290864231376,0.8286786375162771,0.6911880611335754,0.6890291960797752,0.7476312452881914
EOS-3-37691,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nc2F)n1,RRBXSNGZBSZHMP-UHFFFAOYSA-N,3,1,0.461,18,773,429.419,2.502,5,0.375,0.59,1.0,0.7041840860804606,0.612646494414365,0.16596703447330546,0.1554982523473374,0.4095739668288671
EOS-3-37692,Cc1cc(C#N)cnc1-c1cc(COc2cncc3nnc(-c4cncn4C)n23)cs1,BVWURMOBNBUPON-UHFFFAOYSA-N,3,1,0.418,33,168,428.481,3.407,5,0.422,0.62,1.0,0.35073846891919674,0.16804023027893908,0.347328832842163,0.2814320471523542,0.28688489479816326
EOS-3-37693,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(Cl)c4)n23)ccc1F,HATZFWNNKWXTKK-UHFFFAOYSA-N,3,1,0.536,73,82,465.851,4.462,5,0.378,0.69,1.0,0.8535569871838805,0.8757110547597834,0.7686587622507025,0.7665941333698856,0.816130234391063
EOS-3-37694,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3cc(Cl)nc(C)n3)n12,IDCOVTIESBHOHD-UHFFFAOYSA-N,3,1,0.439,16,248,462.901,3.531,5,0.353,0.69,1.0,0.5094750188472346,0.41524741278870536,0.30315776848742376,0.20775649372901103,0.3589091734630937
EOS-3-37695,COc1cc(-c2nnc3cncc(OCc4sncc4C)n23)ccc1-c1cccnc1,XRWHNIJXLSWDBX-UHFFFAOYSA-N,3,1,0.494,97,103,430.493,4.206,5,0.399,0.66,1.0,0.42068741004728943,0.3628092659858817,0.392330888904119,0.2963556301829895,0.36804579878006993
EOS-3-37696,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5cncn5C)c4)n23)ccc1F,LCCQZJYASLHUDD-UHFFFAOYSA-N,3,1,0.517,7,624,416.42,3.008,5,0.435,0.69,1.0,0.44130799808100885,0.38219621684600097,0.4136368309231718,0.3153142348022754,0.38811382016311424
EOS-3-37697,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)s1,MECPGMGQJZQCQQ-UHFFFAOYSA-N,3,1,0.414,31,194,450.915,3.683,5,0.361,0.66,0.992,0.4994945514358166,0.5316547871975875,0.15341648961688711,0.17978548420259063,0.3410878281132204
EOS-3-37698,Cc1nccc(COc2cncc3nnc(-c4cc(-c5nccn5C)ccc4F)n23)n1,UANLBOZXLRZPON-UHFFFAOYSA-N,3,1,0.478,4,353,416.42,3.008,5,0.435,0.66,1.0,0.5895671989582619,0.5789270783359606,0.34733739976697964,0.2785963950380371,0.44860701802480984
EOS-3-37699,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccnc(C)c5)n34)cc(Cl)n2)nc1,KHUTYCHTIMNYRO-UHFFFAOYSA-N,3,1,0.494,24,97,443.898,4.493,5,0.369,0.67,1.0,0.6464687135905696,0.5735213487766432,0.5894729627852786,0.5180676444383524,0.581882667397711
EOS-3-37700,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)nc4)n23)cn1,LMSYRVBXBXSNEJ-UHFFFAOYSA-N,3,1,0.553,97,430,413.416,3.67,5,0.406,0.79,1.0,0.7437632787334658,0.6848228359947913,0.6614865327941882,0.5674473990816257,0.6643800116510178
EOS-3-37701,Fc1nc(C(F)F)ccc1-c1nnc2cncc(-c3nnc(-c4ccc(Cl)nc4)[nH]3)n12,XAELTRYAVULZOO-UHFFFAOYSA-N,3,1,0.337,50,243,443.78,3.764,5,0.421,0.57,0.106,0.3118189294770749,0.5272513878418204,0.7638955520526352,0.7970752518675897,0.60001028030978
EOS-3-37702,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cn2)s1,XJUTURXDLLLTJA-UHFFFAOYSA-N,3,1,0.466,55,283,437.435,3.87,5,0.386,0.64,0.999,0.7758464121718868,0.7371410458501816,0.5025186758961003,0.4580392022479611,0.6183863340415324
EOS-3-37703,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cccnc5F)n34)ncn2)cc1F,OBPFNYDAMUHLLS-UHFFFAOYSA-N,3,1,0.359,44,971,417.379,4.022,5,0.408,0.75,0.576,0.7644181344664519,0.6605184702899047,0.7778682064286204,0.7356675347817148,0.734618086491673
EOS-3-37704,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5cnccn5)n4)n23)cn1,RQOUQFBSDHBAQH-UHFFFAOYSA-N,3,1,0.367,80,816,452.442,1.536,6,0.365,0.57,1.0,0.20413268453156055,0.16804879720375573,0.04306593105338907,0.029470221369337263,0.11117940853951065
EOS-3-37705,Cc1cccc(-n2cc(-c3cncc4nnc(-c5cc(F)c(-c6ncccn6)cc5F)n34)cn2)n1,LGWSVDXGBQMZTK-UHFFFAOYSA-N,3,1,0.315,10,151,467.443,4.083,6,0.385,0.64,0.999,0.013938386676718525,0.19383524090192583,0.602331916935097,0.5893615927626619,0.3498667843191008
EOS-3-37706,Cc1cccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(Cl)c5)c4)n23)c1,JGPDWEITCMSUHK-UHFFFAOYSA-N,3,1,0.506,97,91,428.883,4.789,5,0.374,0.71,1.0,0.7257127681447467,0.6749366047563566,0.8173788636830923,0.8013758481255568,0.7548510211774382
EOS-3-37707,CCn1cncc1-c1cc(C#N)cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1,NWXOYCPHOWFNLA-UHFFFAOYSA-N,3,1,0.5,26,448,456.897,4.174,5,0.377,0.65,0.998,0.4277465560962237,0.5001199369474334,0.7118943184154616,0.6919933520663423,0.5829385408813652
EOS-3-37708,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2Cl)n1,DBDKFNVIQLZDTC-UHFFFAOYSA-N,3,1,0.533,37,589,449.877,4.001,5,0.389,0.6,1.0,0.7073538482626276,0.7969724487697896,0.6749965732300733,0.694914673428826,0.7185593859228291
EOS-3-37709,O=C(NC1CCc2cc(Cl)ccc21)c1ccc(-c2nnc3cncc(Cc4ccnnc4)n23)cc1,RWTOVNFOACMRPN-UHFFFAOYSA-N,3,1,0.6,62,319,481.947,4.243,6,0.403,0.72,1.0,0.29634706325817284,0.36784661777808236,0.6555582208210541,0.6515660338564869,0.49282948392844905
EOS-3-37710,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccns5)cn4)n23)cc1,AGRGNWIVROKURY-UHFFFAOYSA-N,3,1,0.338,38,818,436.504,4.377,6,0.408,0.62,1.0,0.1401463230758687,0.07502912754437667,0.4069546295661709,0.3918425741895689,0.2534931635939963
EOS-3-37711,Cn1c(C#N)cnc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)cn1,FFZADVSKBFCMJS-UHFFFAOYSA-N,3,1,0.51,65,981,441.43,2.614,5,0.394,0.59,0.981,0.7787334658351038,0.7462562538551162,0.39233945582893565,0.3727725995476664,0.5725254437667056
EOS-3-37712,COc1ccccc1-c1nc(C)n(C(C)C)c1-c1cncc2nnc(-c3cnc(C)nc3)n12,GYQDYYUVQRHFHM-UHFFFAOYSA-N,3,1,0.376,82,974,440.511,4.318,5,0.402,0.68,0.932,0.1002244534301967,0.08863340415324515,0.16284010691522172,0.06853539853334246,0.10505834075800151
EOS-3-37713,CCn1ccc(-c2ccc(OC)c(COc3cncc4nnc(-c5ccc(C(=O)NC)cc5)n34)c2)n1,QOQIRKGJKREGAV-UHFFFAOYSA-N,3,1,0.453,89,637,483.532,3.622,5,0.359,0.82,1.0,0.30918031663354123,0.14485813172503598,0.38504043588513465,0.15550681927215407,0.24864642587896646
EOS-3-37714,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)nnc(Cl)c5C)cc4F)n23)cn1,QBVGXYMXSZWPIQ-UHFFFAOYSA-N,3,1,0.383,96,336,445.889,5.028,5,0.387,0.71,0.999,0.35996504694674797,0.46835377972722914,0.6911966280583921,0.6890377630045919,0.5521383044342403
EOS-3-37715,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cnn2)c1,UIOVXTZYVBRLIT-UHFFFAOYSA-N,3,1,0.489,19,639,431.406,3.543,5,0.38,0.6,1.0,0.6891919676512919,0.7590980741553012,0.6380645603454184,0.6744911246658899,0.6902114317044753
EOS-3-37716,COc1ncncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)nn1C,AJOBONQUCIFLIJ-UHFFFAOYSA-N,3,1,0.417,31,694,433.407,2.103,5,0.371,0.61,0.997,0.3668871221986156,0.23796347063258172,0.21629771777122883,0.14047186621890206,0.24040504420533207
EOS-3-37717,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,QLKIPAOIQJUVGA-UHFFFAOYSA-N,3,1,0.484,96,121,456.815,5.038,5,0.37,0.79,1.0,0.12101637996024947,0.6362655061339182,0.9774775546569804,0.9816068124186142,0.6790915632924406
EOS-3-37718,Cc1ccnnc1-c1cc(Cl)nc(COc2cncc3nnc(-c4cccnc4F)n23)c1,NMGCMUFFWVPKOP-UHFFFAOYSA-N,3,1,0.457,4,875,448.849,3.718,5,0.375,0.63,0.805,0.5533034062093071,0.6653245151120554,0.502527242820917,0.5112740730587348,0.5581073093002535
EOS-3-37719,c1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccno6)cnn5)n34)nc2)nc1,NFDLDMHDYYYOHV-UHFFFAOYSA-N,3,1,0.312,70,687,419.408,3.36,6,0.423,0.64,0.97,0.049799533959289974,0.03186039339318758,0.29946542389143993,0.3242409704612432,0.17634158042629017
EOS-3-37720,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)cnn4)n23)nn1,OAQXQXPUSBXGNW-UHFFFAOYSA-N,3,1,0.376,53,587,414.433,1.968,5,0.425,0.7,0.992,0.2232283599479131,0.11660441367966555,0.049730998560756634,0.02576930984853677,0.103833270509218
EOS-3-37721,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5cccnc5)nn4)n23)cc1,LZZCPFXNDHMGCA-UHFFFAOYSA-N,3,1,0.448,71,614,464.453,1.808,6,0.355,0.56,1.0,0.404710095264204,0.20774792680419438,0.034661777808237954,0.03562127338770475,0.17068526831608527
EOS-3-37722,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)ncn5)ncc4F)n23)cn1,MIGBAKRFGICDAM-UHFFFAOYSA-N,3,1,0.452,55,283,448.849,3.718,5,0.375,0.62,1.0,0.8600592831197313,0.8355321773696114,0.6441813446645193,0.6106589678568981,0.73760794325269
EOS-3-37723,Cc1ncc(-c2cccc(-c3nnc4cncc(Oc5cc(Cl)cc(F)c5F)n34)c2)nn1,XSJNYRVQICYKAD-UHFFFAOYSA-N,3,1,0.462,13,145,451.824,4.676,5,0.366,0.68,1.0,0.8039973271194572,0.8523918854088136,0.8546107189363306,0.859913645397848,0.8427283942156123
EOS-3-37724,Cc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ncc1-c1nc(C)c(F)[nH]1,DGRMCEYNEHFIOE-UHFFFAOYSA-N,3,1,0.441,7,239,451.853,3.355,5,0.432,0.58,0.975,0.4771862792132136,0.522745185388253,0.19543725584264274,0.22234596669179632,0.3544286717839764
EOS-3-37725,Cc1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)n1C,KTSMUTXTACSCPB-UHFFFAOYSA-N,3,1,0.54,43,146,448.889,4.872,5,0.383,0.71,1.0,0.7644267013912686,0.872781166472483,0.8283188266739772,0.814526077719142,0.8200131930642177
EOS-3-37726,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)o4)n23)nc1,RMQRZXKXTTXOQF-UHFFFAOYSA-N,3,1,0.342,76,387,454.881,4.562,6,0.385,0.69,1.0,0.15155746693167021,0.25328113220478377,0.45750805290932767,0.5510845726817901,0.35335780618189294
EOS-3-37727,Cc1nc(-c2cncnc2)cc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)n1,DBXMQTGFWHDVBS-UHFFFAOYSA-N,3,1,0.272,86,114,445.45,2.866,6,0.399,0.54,0.661,0.04980810088410664,0.024218696456719896,0.0822082105407443,0.0905095606880954,0.061686142142416564
EOS-3-37728,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)nn2C)nn1,RCSJTVKDSUHQER-UHFFFAOYSA-N,3,1,0.374,53,662,416.449,1.911,5,0.427,0.68,1.0,0.11864334178603249,0.09156329244054554,0.024184428757453226,0.009526420396134603,0.060979370845041465
EOS-3-37729,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)n(C)n1,PZBKDZGBRZSQOX-UHFFFAOYSA-N,3,1,0.483,36,662,418.436,2.952,5,0.436,0.63,1.0,0.5143838667671853,0.527259954766637,0.30664450688780753,0.23404838599136454,0.3955841786032486
EOS-3-37730,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cc(C(F)F)n2)nn1,GFVMGZMEAWADCB-UHFFFAOYSA-N,3,1,0.523,58,241,460.448,3.906,5,0.36,0.64,0.988,0.7041926530052772,0.6557980947159208,0.6023404838599137,0.47935371119183057,0.6104212356932356
EOS-3-37731,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,CVUJDCDXNGUYCU-UHFFFAOYSA-N,3,1,0.421,18,211,416.42,2.742,5,0.42,0.64,1.0,0.5429031594818724,0.3290727160578439,0.4249708724556233,0.3792063600849839,0.4190382770200809
EOS-3-37732,Cc1nnc(-c2ncc(CCc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cc2F)o1,NTFLHWXDZJHFDZ-UHFFFAOYSA-N,3,1,0.404,14,886,451.412,4.407,5,0.377,0.69,1.0,0.4435868000822425,0.5891302857926118,0.6585566445068878,0.6515746007813036,0.5857120827907614
EOS-3-37733,Cc1cnc(-c2nnc3cncc(-c4c(-c5ccc(Cl)cn5)nc(C)n4C)n23)cn1,WZGXMCPPVRTXEX-UHFFFAOYSA-N,3,1,0.289,50,828,417.864,3.314,5,0.444,0.66,0.305,0.1903913371256254,0.217557055719279,0.07992084161469398,0.12529984236858338,0.15329226920704542
EOS-3-37734,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cc1,PYJKCQNSUIHCRW-UHFFFAOYSA-N,3,1,0.561,19,207,413.416,3.404,5,0.421,0.74,1.0,0.7287968610787472,0.704689534644644,0.6023490507847303,0.6311339181687341,0.6667423411692139
EOS-3-37735,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)ccn2)nc1,OSXQVRBPCKFBRM-UHFFFAOYSA-N,3,1,0.489,75,583,465.851,4.196,5,0.371,0.65,1.0,0.8849890343362347,0.8615070934137482,0.740327941881982,0.783265369063121,0.8175223596737715
EOS-3-37736,N#Cc1nc(Cc2cncc3nnc(-c4cnc(-c5cccc(F)n5)cn4)n23)ccc1F,WEAVHABIHFQCBX-UHFFFAOYSA-N,3,1,0.32,85,674,427.378,2.779,5,0.402,0.54,1.0,0.37383489822493315,0.3678551847028991,0.49216126379274894,0.5315434171749709,0.441348690973888
EOS-3-37737,Cc1ccc(-c2nnc3cncc(OCc4nc(F)ccc4-c4cccnc4F)n23)cn1,OYPHAILYWBHMGA-UHFFFAOYSA-N,3,1,0.489,4,31,431.406,3.809,5,0.391,0.63,1.0,0.7526728805428003,0.7462648207799328,0.6965595229936262,0.6341152080049346,0.7074031080803235
EOS-3-37738,COc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ncccn1,WJNBXPWZLAOBNV-UHFFFAOYSA-N,3,1,0.474,49,896,444.43,2.808,5,0.374,0.57,0.999,0.7843619354396546,0.5983225961208964,0.18214995545199095,0.13576005756973478,0.4251486361455692
EOS-3-37739,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(Cl)c(F)c6)n5)n34)cn2)n[nH]1,HVQAUGBGYSNVJZ-UHFFFAOYSA-N,3,1,0.301,10,681,472.875,3.925,6,0.413,0.64,0.165,0.08585772051264479,0.29466794599410595,0.4782314440408471,0.5544856418340073,0.3533106880954013
EOS-3-37740,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1nncc(C)n1,INKZJTQCTRBPGU-UHFFFAOYSA-N,3,1,0.44,31,456,459.445,2.511,5,0.358,0.59,0.993,0.634723459666918,0.5135100404358851,0.09910218627921322,0.07625419779316017,0.3308974710437941
EOS-3-37741,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(-c3cnnc(-c4ccno4)c3)n12,KGCYMTLEFBRIOR-UHFFFAOYSA-N,3,1,0.342,42,151,443.427,3.561,6,0.402,0.57,1.0,0.19858988417517648,0.31474025083955864,0.43226132547460766,0.4793622781166472,0.3562384346514975
EOS-3-37742,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)c1,VNYKHEKZPFAPRW-UHFFFAOYSA-N,3,1,0.454,81,218,461.489,3.623,6,0.37,0.61,1.0,0.31182749640189156,0.16018436022205468,0.3659790281680488,0.3059934206017408,0.28599607634843394
EOS-3-37743,Clc1cccc(OCc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)n1,RGYFBWVIUQRIHU-UHFFFAOYSA-N,3,1,0.396,1,189,414.856,4.481,5,0.394,0.81,1.0,0.5480604482215065,0.5891388527174286,0.727588924679597,0.7461620176821329,0.6527375608251662
EOS-3-37744,Cc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc(-c2cnc(C)nc2)n1,GDEOCBXWNSPYDS-UHFFFAOYSA-N,3,1,0.471,13,110,447.861,4.845,5,0.389,0.68,1.0,0.6585052429579878,0.7139503803714619,0.752501542046467,0.7196216846000959,0.7111447124940031
EOS-3-37745,Cc1cc(COc2cncc3nnc(-c4ncc(-c5ncc(F)n5C)c(F)n4)n23)n(C)n1,IEHVKKWDFNKZLM-UHFFFAOYSA-N,3,1,0.372,92,662,438.402,1.881,5,0.382,0.59,1.0,0.3194177917894593,0.3583630320060311,0.06306970050030841,0.05059625796724008,0.19786169556575972
EOS-3-37746,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nc(C)cs5)n4)n23)cn1,NGIGXGJEXXPCTF-UHFFFAOYSA-N,3,1,0.459,7,464,416.47,3.296,5,0.43,0.71,1.0,0.39193681036255223,0.377450140497567,0.08723699540812829,0.05744123089575766,0.2285162942910013
EOS-3-37747,OCc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccn2)c1,MWHFLJUXTYFAIZ-UHFFFAOYSA-N,3,1,0.523,75,583,443.442,2.896,5,0.382,0.61,1.0,0.7497001576314166,0.5688438078267425,0.6083715989308478,0.5212716743197862,0.6120468096771983
EOS-3-37748,Cn1ncc(OCc2cc(Cl)cc(Cl)c2)c1-c1cncc2nnc(-c3ccncc3)n12,ZAMKETFPRKFZBF-UHFFFAOYSA-N,3,1,0.374,22,16,452.305,4.473,5,0.391,0.69,1.0,0.27691727777397024,0.29956822698923996,0.7143701596874786,0.7832739359879378,0.5185324001096566
EOS-3-37749,Cc1nc(-c2ncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)s2)n(C)n1,PFRNBAXLBWDBTJ-UHFFFAOYSA-N,3,1,0.461,92,185,444.933,3.646,5,0.408,0.62,1.0,0.2690871084915359,0.36786375162771573,0.0195068878075526,0.034567541635254606,0.1727563223905147
EOS-3-37750,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)c(F)n2)n1,ULFOQKLIUJCORE-UHFFFAOYSA-N,3,1,0.478,65,271,463.864,3.156,5,0.35,0.63,1.0,0.8196662326091426,0.8615156603385649,0.28144061407717086,0.34361935439654584,0.576560465355356
EOS-3-37751,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)cn2)[nH]c1F,BAEBHRQOPDODMV-UHFFFAOYSA-N,3,1,0.446,55,239,438.373,3.276,5,0.42,0.6,1.0,0.6919419505174422,0.7139589472962785,0.6441899115893359,0.5863203344527449,0.6591027859639503
EOS-3-37752,Cc1cnc(-c2cnnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)c(Cl)c1,FPBOVRRNZPFYIT-UHFFFAOYSA-N,3,1,0.463,22,121,466.839,4.269,5,0.378,0.67,0.693,0.5836046192858612,0.7632530326913851,0.7197844561716127,0.7666027002947022,0.7083112021108904
EOS-3-37753,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)n5)n34)ccn2)cn1,LMDBYBXHCAVPFD-UHFFFAOYSA-N,3,1,0.478,7,99,465.399,3.34,5,0.385,0.59,1.0,0.569786169556576,0.6311510520183675,0.6259252278802001,0.39486669864985263,0.555432287026249
EOS-3-37754,Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccc1Cl,SOSCRMKSNRTWDC-UHFFFAOYSA-N,3,1,0.34,63,999,404.861,3.707,5,0.56,0.96,1.0,0.26384415050373516,0.32908128298266054,0.3141319991775752,0.4548351723665273,0.34047315125762456
EOS-3-37755,Fc1cc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)cc(-c2cscn2)c1,SPCLFMLOHOCESE-UHFFFAOYSA-N,3,1,0.556,57,146,439.422,4.911,5,0.389,0.75,1.0,0.9084881091083544,0.9100901240490713,0.945094578849976,0.9467051607155096,0.9275944931807278
EOS-3-37756,FC(F)(F)c1ccc(-c2nnc3cncc(CCc4ncnc(-c5cnccn5)n4)n23)nn1,VREGRHRJQYVUDI-UHFFFAOYSA-N,3,1,0.284,50,362,451.376,2.027,5,0.391,0.53,0.136,0.3415718593653622,0.34390206291549585,0.24476560893701596,0.20181961483106023,0.28301478651223355
EOS-3-37757,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)c2)cn1,NJKQQXQJNCYWPJ-UHFFFAOYSA-N,3,1,0.523,40,355,473.5,3.988,6,0.354,0.67,1.0,0.6434531560551024,0.3867109862243849,0.41749194709067233,0.3182612569392091,0.44147933657734223
EOS-3-37758,COc1cccnc1COc1cncc2nnc(-c3ccc(F)c(-c4cccnc4OC)c3)n12,XLWOZKNETSNGRL-UHFFFAOYSA-N,3,1,0.528,97,61,458.453,3.984,5,0.361,0.68,0.999,0.7226029744362964,0.7720084298540196,0.6259337948050168,0.43884929065862516,0.6398486224384895
EOS-3-37760,Cc1nc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccs5)n34)nc2)n(C)n1,DZWVKLUEQYCSDO-UHFFFAOYSA-N,3,1,0.26,86,114,452.507,3.476,6,0.4,0.57,0.698,0.0617675279281749,0.0915718593653622,0.030763827016654102,0.035629840312521414,0.05493326365567816
EOS-3-37761,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)ccn1,PLUJLCFRQMNTED-UHFFFAOYSA-N,3,1,0.561,97,744,438.875,4.681,5,0.371,0.72,1.0,0.8347011856623946,0.9288002878486739,0.7017425125077102,0.7615225138784182,0.8066916249742992
EOS-3-37762,COc1ccnc(CCOc2cncc3nnc(-c4cc(Cl)cc(-c5nccn5C)c4)n23)n1,ROFVXXVEBNNUTN-UHFFFAOYSA-N,3,1,0.494,15,795,462.901,3.265,5,0.363,0.62,1.0,0.5170139126859022,0.5046689740250839,0.2094698786923446,0.17979405112740732,0.35273670413268454
EOS-3-37763,Clc1ccc(-c2nnc3cncc(OCc4cccc(Cc5cncc(Cl)c5)n4)n23)cc1,FTBWVTUWCLSWFI-UHFFFAOYSA-N,3,1,0.56,1,92,463.328,5.058,5,0.351,0.8,1.0,0.7843705023644713,0.935011308340758,0.8118874648756083,0.8616612980604482,0.8482326434103213
EOS-3-37764,Cn1cnnc1-c1cc(Cl)cc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)n1,UEEXTNDNPMFFMO-UHFFFAOYSA-N,3,1,0.284,99,813,469.9,3.098,6,0.386,0.59,0.955,0.06348947981632513,0.14861044479473648,0.15970461243232129,0.20776506065382772,0.14489239942430265
EOS-3-37765,COc1nc(F)ccc1-c1c(-c2cncc3nnc(-c4ccc(Cl)nc4)n23)cnn1C,UWRSCDJHSGIDFA-UHFFFAOYSA-N,3,1,0.329,50,478,436.838,3.45,5,0.398,0.62,1.0,0.3319683366458776,0.477280515386197,0.4644129943115619,0.46419882119114525,0.43446516688369546
EOS-3-37766,Cc1ccc(-c2nncn2C)cc1-c1nnc2cncc(Cc3cccc(-c4cnnn4C)c3)n12,YOBOOBDWIMOIIB-UHFFFAOYSA-N,3,1,0.291,67,740,462.521,3.282,6,0.387,0.59,1.0,0.09791138372969639,0.06414056610239188,0.23427969296141457,0.2108577205126448,0.1517973408265369
EOS-3-37767,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cnn2)c1,FPNFBIRLLWZQEA-UHFFFAOYSA-N,3,1,0.457,55,283,430.859,3.579,5,0.39,0.6,1.0,0.5639178260571586,0.5455674730998561,0.48535055856349807,0.47937084504146393,0.5185516756904941
EOS-3-37768,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)c2)cn1,PDFXPSCYCNSLKX-UHFFFAOYSA-N,3,1,0.448,65,822,445.874,3.017,5,0.388,0.55,0.983,0.6066839147419643,0.665333082036872,0.21991296004386265,0.2193646768555959,0.4278236584195737
EOS-3-37769,Cc1ncc(-c2nnc3cncc(OCc4cnc(-c5cnn(CF)c5)cn4)n23)cn1,QVPGELARFQOHDH-UHFFFAOYSA-N,3,1,0.404,92,535,418.396,2.049,5,0.408,0.65,0.998,0.2908813652251388,0.21268247549859504,0.12101637996024947,0.08152285655541087,0.17652576930984856
EOS-3-37770,Clc1cccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)ncn2)n1,HXJHWSBNZQHSQL-UHFFFAOYSA-N,3,1,0.306,76,368,463.892,4.421,6,0.353,0.71,1.0,0.21783976423822904,0.28935645260777193,0.4575166198341443,0.5212802412446028,0.371498269481187
EOS-3-37771,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccc2F)nc1,NJWYPHPXFXPWDV-UHFFFAOYSA-N,3,1,0.539,73,141,465.851,4.196,5,0.371,0.64,1.0,0.9615345075731615,0.9591957370982113,0.7353505585634981,0.7855698718388048,0.8604126687684189
EOS-3-37772,Fc1ccnc(-c2nc(CCOc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)c1,SSSYPEWJDYGSSB-UHFFFAOYSA-N,3,1,0.415,44,692,465.851,4.196,5,0.371,0.64,0.999,0.8373826331300116,0.8727897333972997,0.6527654033308203,0.7329775203892811,0.7739788225618531
EOS-3-37773,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cnc5F)n34)ccc2F)cn1,UCTKJWRAAOBJMN-UHFFFAOYSA-N,3,1,0.547,37,394,467.867,4.14,5,0.349,0.73,1.0,0.860067850044548,0.8615242272633815,0.8531286409430471,0.8497704064149133,0.8561227811664724
EOS-3-37774,Cc1cc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)cc(F)c5F)n34)ccn2)ncn1,LTZKTECCALUELT-UHFFFAOYSA-N,3,1,0.441,13,110,451.824,4.676,5,0.366,0.7,1.0,0.8419145363580289,0.8248577890480433,0.8733208827359331,0.8599222123226646,0.8500038551161675
EOS-3-37775,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccc5)n4)n23)cc1,DFMXYAXOZXVFLG-UHFFFAOYSA-N,3,1,0.368,62,366,407.437,3.275,5,0.491,0.85,1.0,0.19300424919470907,0.060062709889658006,0.3215509560688095,0.25168768418888354,0.206576399835515
EOS-3-37776,Fc1cc(-c2nnc3cncc(-c4cnc(-c5ccnnc5)cn4)n23)ccc1-c1cccs1,JSHYYIQBIIUFDH-UHFFFAOYSA-N,3,1,0.333,70,72,452.478,4.573,6,0.387,0.65,1.0,0.3295867315468439,0.4332293879788911,0.6380731272702351,0.6687341511890892,0.5174058494962648
EOS-3-37777,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(F)c6)n5)n34)cc2)c1,ZJIDKQOMVPYTLI-UHFFFAOYSA-N,3,1,0.375,93,550,451.44,4.984,6,0.378,0.71,1.0,0.046715441025289565,0.2893650195325886,0.8303063532314441,0.8880302926461517,0.5136042766088685
EOS-3-37778,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)cn1,PTNRQAMRQNXVLQ-UHFFFAOYSA-N,3,1,0.512,59,577,449.396,3.948,5,0.375,0.62,1.0,0.82504626139401,0.8091888835583579,0.8719673086148996,0.8224419162497429,0.8321610924542526
EOS-3-37779,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)[nH]4)n23)cc1,ALUKDVLJTMBNLB-UHFFFAOYSA-N,3,1,0.353,3,642,468.912,4.175,6,0.403,0.7,1.0,0.13241038996641766,0.28937358645740524,0.22328832842162977,0.35006168185868003,0.2487834966760332
EOS-3-37780,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)o1,HBEOUEJPFXBVAJ-UHFFFAOYSA-N,3,1,0.667,91,660,415.428,4.515,5,0.406,0.82,1.0,0.9022171201425536,0.7462733877047495,0.737749297512165,0.6835120964978412,0.7674379754643273
EOS-3-37781,Cc1cnc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nc5)n34)cc2)cn1,XGGLSNQMIQLGAX-UHFFFAOYSA-N,3,1,0.365,85,81,414.86,3.591,5,0.414,0.7,1.0,0.3243266397094099,0.33881330957439515,0.43590226852169145,0.4264101158248235,0.38136308340758
EOS-3-37782,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)nn1,JTKNZHQWWIAJGZ-UHFFFAOYSA-N,3,1,0.53,59,772,452.812,3.549,5,0.373,0.61,1.0,0.9172092385717223,0.9480416009869097,0.7119028853402782,0.7486892605030498,0.83146074635049
EOS-3-37783,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)c(F)c1,JXHOAZRDFHSYQG-UHFFFAOYSA-N,3,1,0.317,32,170,464.439,4.651,6,0.375,0.68,0.943,0.27692584469878695,0.4287060516756905,0.8097457336714413,0.832525186758961,0.5869757042012199
EOS-3-37784,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cccc(-c4cncnc4)c3)n12,FLJGATDKVOAAEF-UHFFFAOYSA-N,3,1,0.478,27,988,449.396,4.299,5,0.357,0.68,1.0,0.8397899390034953,0.8553988760194641,0.9065948187238709,0.8582687958330477,0.8650131073949695
EOS-3-37785,COc1cc(-c2nnc3cncc(OCCc4cccs4)n23)ccc1-c1csc(C)n1,XCIIDNRSYSYZHM-UHFFFAOYSA-N,3,1,0.627,15,777,449.561,4.915,5,0.351,0.84,1.0,0.5924885203207456,0.4814269069974642,0.3433794805016791,0.22501028030978001,0.41057629703241727
EOS-3-37786,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)nc2)cn1,SCGXGJKDPJTHFI-UHFFFAOYSA-N,3,1,0.325,42,714,465.908,4.364,6,0.356,0.7,1.0,0.11024775546569804,0.24346343636488246,0.6203652936741827,0.6225070248783496,0.39914587759577824
EOS-3-37787,Cc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)s2)n1,DECWEUPJCOIRBO-UHFFFAOYSA-N,3,1,0.317,76,272,457.548,4.142,6,0.392,0.65,0.781,0.036512233568638204,0.10763484339661435,0.057175656226440955,0.05597628675210747,0.06432475498595025
EOS-3-37788,CCc1nc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)ccc1-c1cnn(C)n1,PILOCMMZKKTSBJ-UHFFFAOYSA-N,3,1,0.385,31,565,431.435,2.657,5,0.378,0.61,0.855,0.41590706599958877,0.37253272565279966,0.17570762798985676,0.13821876499211844,0.2755915461585909
EOS-3-37789,Cc1cc(-c2nnc3cncc(OCc4cnc(C(F)F)c(C)c4)n23)ccc1Cl,GCELOAKKXXRJBL-UHFFFAOYSA-N,3,1,0.568,90,12,415.831,4.973,4,0.46,0.82,1.0,0.8645397847988486,0.919822150640806,0.9404770063737921,0.9013946953601535,0.9065584092934
EOS-3-37790,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)nn1C,FOTNCTWSGSUVKR-UHFFFAOYSA-N,3,1,0.542,27,69,449.425,3.202,5,0.389,0.63,1.0,0.4367846617778082,0.4683623466520458,0.33608046055787816,0.2340569529161812,0.36882110547597835
EOS-3-37791,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5F)n34)cn2)s1,CPWNTFXJLAXWQA-UHFFFAOYSA-N,3,1,0.435,55,283,456.413,3.405,5,0.371,0.64,1.0,0.722611541361113,0.7139675142210952,0.5025358097457336,0.47642382290453017,0.603884672058118
EOS-3-37792,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4F)n23)nn1,GBCNFPILLFCOMK-UHFFFAOYSA-N,3,1,0.472,4,534,432.394,3.204,5,0.39,0.58,1.0,0.615045233363032,0.6653416489616887,0.39610033582345283,0.38541738057706804,0.5154761496813104
EOS-3-37793,Cc1cccc(-c2ncncc2-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)n1,CXVBLFSZYLVMSM-UHFFFAOYSA-N,3,1,0.463,58,981,444.886,3.622,5,0.366,0.62,0.999,0.6739342745528065,0.6558066616407374,0.32514906449181,0.337296963881845,0.49804674114179975
EOS-3-37794,Cc1cccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ccn1,MWOJKCSXOHGVOR-UHFFFAOYSA-N,3,1,0.534,75,583,445.433,3.851,5,0.392,0.59,1.0,0.8645483517236653,0.69973785210061,0.652773970255637,0.6076091426221644,0.7061673291755192
EOS-3-37795,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)nc1,SOKUHVANRUMFQN-UHFFFAOYSA-N,3,1,0.264,39,527,472.394,3.308,6,0.384,0.6,0.22,0.027825371804537043,0.1641765471866219,0.46813103968199576,0.5863289013775616,0.31161546501267906
EOS-3-37796,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)nc1,ZRFGVUQTQWNABK-UHFFFAOYSA-N,3,1,0.435,31,569,447.89,2.96,5,0.365,0.62,1.0,0.4070659995887876,0.3290898499074772,0.12102494688506614,0.13576862449455143,0.24823735521897058
EOS-3-37797,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c(Cl)c1,SYGUJKRRLBPLQW-UHFFFAOYSA-N,3,1,0.484,20,279,468.308,3.305,5,0.374,0.64,1.0,0.49950311836063327,0.5547512165033239,0.3251576314166267,0.4359879377698581,0.4538499760126105
EOS-3-37798,Fc1ccccc1-n1cnc(-c2cncc3nnc(-c4cncnc4-c4ccsc4)n23)c1,VJQGIJYSGDXNCU-UHFFFAOYSA-N,3,1,0.287,94,515,440.467,4.302,6,0.406,0.61,0.719,0.06177609485299157,0.1722637242135563,0.5234648070728531,0.5984168322938798,0.33898036460832015
EOS-3-37799,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)nc1,TZTRPJNUXLKGKA-UHFFFAOYSA-N,3,1,0.369,27,412,438.373,3.851,5,0.385,0.62,1.0,0.6493643341786033,0.6946919333835926,0.7169830717565623,0.592531354944829,0.6633926735658968
EOS-3-37800,c1ccc(-c2cncnc2-c2nnc3cncc(-c4cc(-c5ccoc5)ncn4)n23)cc1,PQZBOYFARYRXMP-UHFFFAOYSA-N,3,1,0.269,94,566,418.42,3.965,6,0.423,0.68,0.747,0.09791995065451306,0.03186896031800425,0.37386916592419983,0.4327753409636077,0.23410835446508121
EOS-3-37801,COc1ncc(-c2nnc3cncc(OCCc4ncco4)n23)cc1-c1ncc(Cl)cn1,QMUODSDURWDCAC-UHFFFAOYSA-N,3,1,0.557,87,307,450.846,2.915,5,0.365,0.64,1.0,0.6711071893633062,0.49065348502501543,0.10436227811664725,0.08673154684394489,0.33821362483722844
EOS-3-37803,Cc1ncn(C)c1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccn1,OBTKBFXSSFLDLH-UHFFFAOYSA-N,3,1,0.461,75,565,432.875,3.523,5,0.392,0.62,1.0,0.464824206702762,0.45962408333904464,0.3777928174902337,0.3467976835035296,0.4122596977588925
EOS-3-37804,CCn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)n1,GBFAVUTYKQYJID-UHFFFAOYSA-N,3,1,0.41,92,185,435.839,1.882,5,0.363,0.6,0.901,0.2769344116236036,0.4860273456240148,0.019515454732369267,0.03354807758207114,0.2040063223905147
EOS-3-37805,Cc1cccnc1-c1cc(Cc2cncc3nnc(-c4cncc(Cl)c4)n23)sn1,PNUYVDIRIWZHIS-UHFFFAOYSA-N,3,1,0.351,85,81,419.901,4.257,5,0.433,0.72,0.875,0.19301281611952573,0.2893821533822219,0.2555085326571174,0.3694229319443493,0.2768316085258036
EOS-3-37806,COC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5nnn(C)n5)ncn4)n23)nc1,QXZNJOATYGPGIN-UHFFFAOYSA-N,3,1,0.298,33,60,429.404,0.544,5,0.36,0.61,0.676,0.054656980330340624,0.018041943663902407,0.009380782674251251,0.002501542046467,0.021145312178740324
EOS-3-37807,Cc1ccc(-c2nc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cs2)nn1,BNVIIEKMDVKVOQ-UHFFFAOYSA-N,3,1,0.447,53,477,450.915,3.683,5,0.386,0.64,0.964,0.4695360153519293,0.49558803371941607,0.10437084504146392,0.15285107257898706,0.3055864916729491
EOS-3-37808,COc1cc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)ccc4F)n23)ccc1Cl,IFCSAWFVJDPYQD-UHFFFAOYSA-N,3,1,0.494,43,67,465.876,3.967,5,0.374,0.67,1.0,0.6347320265917347,0.7804725515728874,0.8054280035638407,0.7486978274278665,0.7423326022890824
EOS-3-37809,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)s5)n34)cn2)cn1,ZTBCVUYVDPTNCP-UHFFFAOYSA-N,3,1,0.295,76,653,454.475,4.035,6,0.38,0.65,0.975,0.37141902542663285,0.3200774450003427,0.2662942910013022,0.20777362757864437,0.2913910972517305
EOS-3-37810,COc1ncc(-c2nnc3cncc(OCCc4ccnnc4)n23)cc1-c1ncc(Cl)cn1,KXINRZACOLLWGH-UHFFFAOYSA-N,3,1,0.469,65,65,461.873,2.717,5,0.357,0.62,1.0,0.7009629223493935,0.6407288739634021,0.17571619491467344,0.14771091768898637,0.4162797272291139
EOS-3-37811,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)cn1,GHZJNDWHBHVMOS-UHFFFAOYSA-N,3,1,0.494,59,577,451.412,4.066,5,0.362,0.65,1.0,0.4771948461380303,0.48143547392228087,0.8606589678568981,0.8076982386402577,0.6567468816393668
EOS-3-37813,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccn[nH]5)cn4)n23)nc1,KAJSEYWUVQEVGD-UHFFFAOYSA-N,3,1,0.269,32,935,417.436,3.7,6,0.466,0.65,1.0,0.16780892330888905,0.14861901171955316,0.3433880474264958,0.37278116647248305,0.25814928723185526
EOS-3-37814,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)cn2)cn1,PRHISNXAPUTRDU-UHFFFAOYSA-N,3,1,0.261,94,165,419.412,2.49,6,0.457,0.57,0.996,0.07321293948324309,0.10412240422178055,0.2738160509903365,0.27556370365293675,0.1816787745870742
EOS-3-37815,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cnn2)c1,YSSCJZRGNVKUII-UHFFFAOYSA-N,3,1,0.451,72,482,455.869,3.185,5,0.379,0.56,1.0,0.7257213350695634,0.8524004523336303,0.45408128298266054,0.5280395449249538,0.6400606538277019
EOS-3-37816,Cn1ccc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5ccsc5)n34)n2)n1,MZNQBPDGEONJOY-UHFFFAOYSA-N,3,1,0.233,86,953,427.457,2.291,6,0.421,0.57,0.7,0.001833321910766911,0.0039065177164005205,0.018581659927352476,0.021477280515386197,0.011449695017476526
EOS-3-37817,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)cc1,SNGDXNQFXJDUDM-UHFFFAOYSA-N,3,1,0.489,40,932,449.478,3.352,6,0.384,0.57,1.0,0.3243352066342266,0.17672709204304024,0.46442156123637857,0.35319717634158043,0.3296702590638064
EOS-3-37818,Cc1nc(-c2cnc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n(C)n1,UMYCDRKOIUXDSO-UHFFFAOYSA-N,3,1,0.585,16,32,467.32,4.176,5,0.358,0.71,1.0,0.7073624151874444,0.7804811184977041,0.4136453978479885,0.514803646083202,0.6040731444040848
EOS-3-37819,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)s1,WQJYXQOHVRBVAX-UHFFFAOYSA-N,3,1,0.376,31,194,451.903,3.078,5,0.383,0.59,0.747,0.4576451237063944,0.50012850387225,0.07356418340072647,0.09242855184702899,0.28094159070659996
EOS-3-37820,CCOc1cc(-c2nnsn2)cnc1-c1cncc2nnc(-c3ccc(C(C)=O)cc3)n12,PXINQMKGZFHEOL-UHFFFAOYSA-N,3,1,0.34,74,333,444.48,3.368,5,0.363,0.65,0.966,0.12961757247618394,0.13378966486190116,0.12362929202933315,0.07626276471797684,0.11582482352134878
EOS-3-37821,COc1cc(-c2cccc(C#N)n2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,FFPVVIGCCDNEPD-UHFFFAOYSA-N,3,1,0.424,72,224,470.88,3.756,5,0.364,0.69,1.0,0.7009714892742102,0.6458004934548695,0.5959067233225961,0.5245356726749366,0.616803594681653
EOS-3-37822,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)cn1,IKVHLTQONWNBGM-UHFFFAOYSA-N,3,1,0.307,32,179,477.507,4.641,6,0.357,0.84,0.998,0.14309334521280243,0.20775649372901103,0.23428825988623123,0.31532280172709204,0.22511522513878418
EOS-3-37823,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nn5)n34)cn2)ccn1,NRVKIRDHNYMOCM-UHFFFAOYSA-N,3,1,0.295,70,72,453.466,3.968,6,0.369,0.63,0.713,0.1456548557329861,0.25823281474881776,0.3886985127818518,0.4421646905626756,0.3086877184565828
EOS-3-37824,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5nccs5)n4)n23)ccc1Cl,FBBMRAFWJWLNRR-UHFFFAOYSA-N,3,1,0.553,24,268,434.912,4.851,5,0.393,0.76,1.0,0.6347405935165513,0.7969810156946062,0.5403245151120554,0.5510931396066068,0.630784815982455
EOS-3-37825,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6conn6)cc5)n34)cn2)c1,GRDPWFBIHGCBIC-UHFFFAOYSA-N,3,1,0.517,77,323,465.448,4.621,6,0.351,0.79,1.0,0.6464772805153862,0.5547597834281406,0.7639041189774518,0.7487063943526832,0.6784618943184154
EOS-3-37826,Cn1cc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cn1,TYHUNLWDFUSIRJ-UHFFFAOYSA-N,3,1,0.444,18,773,416.42,2.742,5,0.393,0.73,1.0,0.4555033925022274,0.42871461860050714,0.4069631964909876,0.36629600438626553,0.4143693029949969
EOS-3-37827,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5F)nn4)n23)cn1,XCUJBNUORGPGCN-UHFFFAOYSA-N,3,1,0.281,10,872,472.875,3.627,6,0.386,0.66,0.746,0.05291789459255706,0.18934617229799192,0.439783085463642,0.5280481118497704,0.3025238160509903
EOS-3-37828,c1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)no5)n34)nc2)cc1,NZDVSZULKZHGRU-UHFFFAOYSA-N,3,1,0.338,30,737,417.432,4.57,6,0.415,0.79,1.0,0.14566342265780274,0.13751627715715167,0.3360890274826948,0.43885785758344187,0.26453164622027275
EOS-3-37829,CCOCc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cn(C)nc5C)c4)n23)cn1,SMIVYIJGKUSKCH-UHFFFAOYSA-N,3,1,0.462,92,986,456.51,3.406,5,0.35,0.67,1.0,0.3091888835583579,0.15253409636077034,0.24477417586183264,0.1293177301076006,0.2089537214721404
EOS-3-37830,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ncn(-c6ccncn6)n5)n34)c2)nn1,YCMZOAFTSNQGSL-UHFFFAOYSA-N,3,1,0.37,71,428,464.453,1.901,6,0.356,0.59,1.0,0.18191864848194092,0.16418511411143855,0.05146151737372353,0.041506750736755534,0.10976800767596463
EOS-3-37831,COc1ncc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1-c1cnccn1,DWTLHPUNRKQDLY-UHFFFAOYSA-N,3,1,0.459,65,324,462.42,2.947,5,0.36,0.61,1.0,0.7701237063943527,0.6311596189431842,0.5335138098828045,0.43278390788842436,0.5918952607771915
EOS-3-37832,CCn1cc(-c2nc(C)cc(C(C)c3cncc4nnc(-c5ccc(C)cc5)n34)n2)cn1,CWQCMVIUOUAPBL-UHFFFAOYSA-N,3,1,0.352,85,357,424.512,4.233,5,0.42,0.63,1.0,0.0954869440065794,0.06773867452539237,0.2590895072304846,0.13577719141936812,0.1395230792954561
EOS-3-37833,CC(C)(O)c1cnc(-c2nnc3cncc(OCc4ccnc(-c5cncnn5)c4)n23)cn1,VFXVLLOXACFJBT-UHFFFAOYSA-N,3,1,0.4,7,828,442.443,1.635,5,0.409,0.6,1.0,0.40924199849222126,0.20776506065382772,0.2199215269686793,0.09051812761291207,0.2318616784319101
EOS-3-37834,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nn2C)cn1,HBSUCMFGVQICKW-UHFFFAOYSA-N,3,1,0.4,7,564,451.853,3.057,5,0.401,0.58,1.0,0.43207285312864097,0.36281783291069836,0.3659875950928655,0.3758138578575834,0.3841730347474471
EOS-3-37835,Cn1cncc1-c1cnc(-c2nnc3cncc(OCc4cnc(F)c(Cl)c4)n23)cc1F,CJWHOMFUPUNUKX-UHFFFAOYSA-N,3,1,0.404,46,62,454.828,3.492,5,0.375,0.59,1.0,0.6617863751627716,0.5983311630457131,0.7731820985539031,0.7588839010348846,0.698045884449318
EOS-3-37836,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)cs1,OFNRZOHNTFHACR-UHFFFAOYSA-N,3,1,0.443,65,779,438.904,3.318,5,0.401,0.59,1.0,0.4027311356315537,0.3583715989308478,0.1471112329518196,0.1852511822356247,0.27336628743746144
EOS-3-37837,Cc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)cn1,VQMFIRVDCHSUJF-UHFFFAOYSA-N,3,1,0.381,85,290,444.449,4.07,5,0.39,0.59,1.0,0.36229525049688166,0.41977931601672264,0.5738383249948599,0.4674199849222123,0.4558332191076691
EOS-3-37838,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)c(F)n3)n12,QPQNPNHXMOMVMR-UHFFFAOYSA-N,3,1,0.581,19,442,465.851,4.196,5,0.347,0.71,1.0,0.8668014529504489,0.8889897882256186,0.7403365088067987,0.7878144061407717,0.8209855390309094
EOS-3-37839,Clc1ccc(-c2nnc3cncc(OCc4nc(Cl)nc(Cl)c4Cl)n23)cc1,RLMUZLOZAMCJJC-UHFFFAOYSA-N,3,1,0.6,90,708,442.093,4.774,4,0.335,0.82,1.0,0.8990816256596532,0.9660321431019121,0.817387430607909,0.9309077513535742,0.9033522376807621
EOS-3-37840,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)nc1,OSBQUZNHTCGNKM-UHFFFAOYSA-N,3,1,0.436,18,873,428.431,3.107,5,0.38,0.6,1.0,0.655429716948804,0.5227537523130698,0.41365396477280514,0.37582242478240013,0.49191496470426976
EOS-3-37841,CCc1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4C)n23)cn1,UBDFSQHNUOVHLA-UHFFFAOYSA-N,3,1,0.418,15,205,425.496,4.558,5,0.411,0.79,1.0,0.42292337742443975,0.23290041806593106,0.32516619834144334,0.18525974916044136,0.2915624357480639
EOS-3-37842,Fc1cnncc1CCOc1cncc2nnc(-c3cc(-c4cccc(F)c4F)ccn3)n12,VZGXWVSSEPFVKV-UHFFFAOYSA-N,3,1,0.457,84,503,449.396,3.682,5,0.391,0.58,1.0,0.7701322733191693,0.7231426906997465,0.8433537797272291,0.8548163251319306,0.7978612672195189
EOS-3-37843,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5sccc5Cl)n34)c2)nc1,FIEBBFARXPUIOH-UHFFFAOYSA-N,3,1,0.489,2,491,453.89,4.119,5,0.382,0.66,1.0,0.839798505928312,0.832139675142211,0.4468593653622096,0.5245442395997533,0.6608354465081214
EOS-3-37844,Clc1cnncc1COc1cncc2nnc(-c3cc(-c4cccnn4)cnn3)n12,RTWPAANARDQHDS-UHFFFAOYSA-N,3,1,0.396,53,182,418.808,2.061,5,0.418,0.59,1.0,0.5195582893564527,0.5455760400246727,0.23067301761359743,0.2963641971078062,0.39804288602563226
EOS-3-37845,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6F)nc5)n34)c(F)c2)n1,IVVPJHPDAGZVMD-UHFFFAOYSA-N,3,1,0.329,42,219,469.419,2.779,6,0.358,0.61,1.0,0.21496127749982866,0.2995767939140566,0.2994739908162566,0.3500702487834967,0.2910205777534096
EOS-3-37846,COc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C)nc5)n34)cc(Cl)n2)cn1,DJZJUBCCCHPEON-UHFFFAOYSA-N,3,1,0.462,55,903,460.885,3.588,5,0.35,0.65,1.0,0.6951716811733261,0.6219244739908163,0.4101158248235213,0.2933572064971558,0.5051422966212048
EOS-3-37847,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cc(C(F)F)ccc4F)n23)c(Cl)c1,IZZCMKGSFYLODP-UHFFFAOYSA-N,3,1,0.321,22,252,455.831,4.984,5,0.382,0.76,1.0,0.31183606332670827,0.5789356452607772,0.9561973134123775,0.9620228222877116,0.7022479610718937
EOS-3-37848,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5nc(Cl)ncc5OC)cn4)n23)nc1,CIHDVWIFNCDBHH-UHFFFAOYSA-N,3,1,0.288,33,845,474.872,2.122,5,0.375,0.64,0.664,0.5507247618394902,0.43323795490370776,0.09203447330546227,0.054528476458090606,0.2826314166266877
EOS-3-37849,COc1nc(-c2ncon2)ccc1-c1nnc2cncc(OCCc3cnn(C)c3)n12,LMZAWBZKIHRQPH-UHFFFAOYSA-N,3,1,0.483,65,804,419.405,1.6,5,0.383,0.67,1.0,0.3599736138715647,0.12347508738263313,0.03467034473305462,0.014563772188335275,0.13317070454389693
EOS-3-37850,Fc1cc(-c2cncnc2)ccc1-c1nnc2cncc(Oc3ccccc3Cl)n12,REDDCOLIBZWVOJ-UHFFFAOYSA-N,3,1,0.442,13,145,418.819,4.833,5,0.416,0.76,1.0,0.7644352683160852,0.8836268932903845,0.9075885820026044,0.9266928243437735,0.8705858919882119
EOS-3-37851,Cc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc1-c1ccnn1C,PIMDLCKZWIIACS-UHFFFAOYSA-N,3,1,0.418,46,564,450.865,3.662,5,0.403,0.57,1.0,0.5301298745802207,0.4860359125488315,0.5671732574874923,0.5348673840038379,0.5295516071550955
EOS-3-37852,Cc1nnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1F,RLEZJLDEQCTBOF-UHFFFAOYSA-N,3,1,0.465,7,540,415.392,2.46,5,0.427,0.67,1.0,0.5805804948255774,0.5789442121855939,0.22701494071688028,0.1988297580700432,0.3963423514495236
EOS-3-37853,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)ccn2)c1,WYVIIBOQQSNHLQ-UHFFFAOYSA-N,3,1,0.5,59,183,450.836,4.759,5,0.359,0.74,1.0,0.9084966760331711,0.8943184154615859,0.9289459255705572,0.9376841888835583,0.9173613014872182
EOS-3-37854,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)c2)cc1,UQWXRFMQMCGFLF-UHFFFAOYSA-N,3,1,0.542,97,137,450.836,4.759,5,0.359,0.74,1.0,0.8754283462408334,0.9010434514426702,0.9411709272839421,0.9481701048591598,0.9164532074566514
EOS-3-37855,COc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cscn1,RLSILRDMGWHNFI-UHFFFAOYSA-N,3,1,0.529,49,501,431.481,3.335,5,0.387,0.61,0.996,0.4460626413542595,0.26358714275923517,0.12363785895414982,0.08153142348022754,0.228704766636968
EOS-3-37856,Cc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,UFXMBNZREJFHPU-UHFFFAOYSA-N,3,1,0.488,13,374,434.862,5.085,5,0.394,0.74,1.0,0.764443835240902,0.7417072167774655,0.8386334041532452,0.8077068055650743,0.7881228154341717
EOS-3-37857,FCc1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)ccn1,DWQPRGRQNIOVBP-UHFFFAOYSA-N,3,1,0.489,87,307,445.433,3.873,5,0.376,0.61,1.0,0.7163576862449456,0.684831402919608,0.6555667877458707,0.6280840929340004,0.6712099924611061
EOS-3-37858,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccccn6)n5)n34)cn2)cc1,JIKLEOLZJCCORE-UHFFFAOYSA-N,3,1,0.333,30,93,427.471,4.977,6,0.395,0.73,1.0,0.10555308066616408,0.13379823178671785,0.5303183469261874,0.576879583304777,0.3366373106709616
EOS-3-37859,COC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(Cl)c5)ncn4)n23)cc1,DNJYRKUPIDXMIU-UHFFFAOYSA-N,3,1,0.345,96,139,443.854,3.75,5,0.305,0.8,1.0,0.28793434308820504,0.29958536083887327,0.5436142142416558,0.4610461928586115,0.39804502775683637
EOS-3-37860,Clc1cnnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,MKEYMMOOZJAWRH-UHFFFAOYSA-N,3,1,0.386,53,88,466.292,3.362,5,0.371,0.56,1.0,0.5301384415050373,0.5455846069494894,0.29222637242135563,0.42012199300938935,0.4470178534713179
EOS-3-37861,Fc1cc(CCOc2cncc3nnc(-c4cc(F)nc(-c5ncccn5)c4)n23)ccn1,NRPASVSMABDQQK-UHFFFAOYSA-N,3,1,0.524,75,578,432.394,2.938,5,0.377,0.58,1.0,0.8689260503049825,0.7804896854225207,0.48188952093756426,0.46105475978342814,0.6480900041121239
EOS-3-37862,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5F)ncn4)n23)c1F,SQECZGLXBQGGFP-UHFFFAOYSA-N,3,1,0.424,18,194,446.421,3.246,5,0.366,0.61,0.97,0.7009800561990268,0.5599170721677746,0.5200294702213694,0.467428551847029,0.5620887876088
EOS-3-37863,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)sc4C)n23)cn1,VAAXETRENROHPJ-UHFFFAOYSA-N,3,1,0.461,4,205,449.927,4.554,5,0.363,0.76,1.0,0.4893770132273319,0.6653502158865053,0.2413816736344322,0.24860359125488316,0.41117812350078814
EOS-3-37864,Cn1nc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1-c1cncs1,CQIXCVCZFOGGHS-UHFFFAOYSA-N,3,1,0.554,4,10,458.334,4.534,5,0.385,0.71,1.0,0.35998218079638133,0.621933040915633,0.5268316085258036,0.6400520869028853,0.5371997292851758
EOS-3-37865,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnc(C(F)F)nc5)n34)cc2)c(F)c1,NBUQSVRNOIPSEN-UHFFFAOYSA-N,3,1,0.384,96,558,436.372,5.131,5,0.365,0.76,1.0,0.4367932287026249,0.7462819546295661,0.9652868206428621,0.9620313892125283,0.7775983482968953
EOS-3-37866,Cc1nnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2)s1,YWNKXQPLFDIQCN-UHFFFAOYSA-N,3,1,0.402,62,916,481.585,4.296,6,0.372,0.81,1.0,0.2013741347405935,0.09770577753409636,0.08975567130422864,0.11137858954149818,0.12505354328010418
EOS-3-37867,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(F)cn5)n34)ccn2)nn1,JPRUNQSDHQOLCS-UHFFFAOYSA-N,3,1,0.46,51,48,416.38,1.855,5,0.418,0.63,1.0,0.5639263929819752,0.5001370707970667,0.09644643958604619,0.08853060105544514,0.3122601261051333
EOS-3-37868,COc1nc(-c2nnc3cncc(OCCc4cncs4)n23)ccc1-c1ncccc1C,BOCVQDMXJJJTHD-UHFFFAOYSA-N,3,1,0.467,49,501,445.508,3.643,5,0.374,0.66,1.0,0.39194537728736895,0.20301041738057707,0.10437941196628059,0.06186176410115825,0.19029924268384624
EOS-3-37869,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnc5F)cn4)n23)nc1,FRDFYJMNAOXATB-UHFFFAOYSA-N,3,1,0.371,33,943,483.467,2.649,6,0.347,0.8,1.0,0.44607120827907615,0.2582413816736344,0.11217531354944829,0.1337810979370845,0.23756725035981083
EOS-3-37870,Cc1ncccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn(C)c1=O,PPBPNYDMLSXNJF-UHFFFAOYSA-N,3,1,0.521,87,796,473.924,3.53,5,0.372,0.68,1.0,0.4070745665136043,0.3439106298403125,0.38504900280995136,0.3792149270098006,0.3788122815434172
EOS-3-37871,Cc1nn(C(F)F)c(-c2ccccn2)c1-c1cncc2nnc(-c3ccc(F)nc3)n12,WUIUBCONMNJHDU-UHFFFAOYSA-N,3,1,0.353,50,243,422.374,3.954,5,0.408,0.64,0.993,0.11865190871084916,0.27893907203070384,0.5539801932698238,0.5609793708450415,0.37813763621410457
EOS-3-37872,Cn1cc(-c2nc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2Cl)cn1,YTTKDXDTOADFTH-UHFFFAOYSA-N,3,1,0.394,52,916,484.951,3.723,6,0.394,0.79,1.0,0.15696319649098758,0.19384380782674251,0.20224796107189363,0.2755722705777534,0.2071568089918443
EOS-3-37873,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cc(Cl)n2)c1,YWYCVKFRCNGGOF-UHFFFAOYSA-N,3,1,0.566,75,583,447.861,4.057,5,0.362,0.62,0.998,0.8040058940442739,0.8425399218696457,0.6828867109862243,0.7143358919882119,0.760942104722089
EOS-3-37874,Fc1cccnc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,ASHRMRLUWKNFCB-UHFFFAOYSA-N,3,1,0.436,18,265,465.851,4.196,5,0.371,0.63,1.0,0.8066016722637243,0.7231512576245631,0.7847303132067713,0.8205400589404427,0.7837558255088753
EOS-3-37875,CCc1nc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cnc(C)cn1,HMOUQUZFFPQQBD-UHFFFAOYSA-N,3,1,0.5,31,690,438.495,3.531,5,0.38,0.59,0.387,0.42991398807484066,0.2841905969433212,0.0941847714344459,0.06679631279555891,0.21877141731204167
EOS-3-37876,Fc1cnc(-c2cncc(-c3cncc4nnc(-c5cnc(-c6ccncc6)cn5)n34)n2)cn1,ODQYLAYHOULTSA-UHFFFAOYSA-N,3,1,0.347,86,513,449.413,2.696,6,0.395,0.51,1.0,0.2041412514563772,0.2532896991296004,0.23767219518881502,0.27558083750257006,0.24267099581934065
EOS-3-37877,c1cncc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)cn4)n23)c1,IRNNYWBQRSXNIO-UHFFFAOYSA-N,3,1,0.25,94,165,418.424,3.095,6,0.463,0.61,0.923,0.14310191213761908,0.1338067987115345,0.33609759440751147,0.35962236995408126,0.24315716880268656
EOS-3-37878,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(C)n4)n23)n1,DAGKTCHZJXJVDJ-UHFFFAOYSA-N,3,1,0.449,4,122,415.482,3.901,5,0.43,0.76,1.0,0.30404016174354054,0.27378178329106984,0.14420704543896923,0.09636077033787951,0.20459744020286477
EOS-3-37879,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2)ccn1,KZRAMOBKPILUFQ-UHFFFAOYSA-N,3,1,0.517,54,796,410.441,2.968,5,0.421,0.8,0.763,0.5301470084298541,0.34858817079021315,0.1757247618394901,0.14771948461380302,0.3005448564183401
EOS-3-37880,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nn1,IFFFOGODGATBRV-UHFFFAOYSA-N,3,1,0.61,15,393,410.441,2.968,5,0.421,0.8,1.0,0.6772325406072236,0.46837091357686245,0.26630285792611885,0.22501884723459667,0.4092312898362004
EOS-3-37881,Cn1cnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)c1,BYPCPNRPLICMGL-UHFFFAOYSA-N,3,1,0.506,36,52,453.388,3.033,5,0.361,0.6,1.0,0.5301555753546707,0.6175296415598657,0.570428688917826,0.47353676924131316,0.5479126687684189
EOS-3-37883,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)c6)c5)n34)cc2)n1C,VRRKFVDOJZRTEW-UHFFFAOYSA-N,3,1,0.318,3,150,466.936,5.006,6,0.365,0.78,1.0,0.056524569940374206,0.1984785141525598,0.6527825371804538,0.6716640394763895,0.3948624151874443
EOS-3-37884,Oc1ccc(-c2ncon2)cc1-c1nnc2cncc(OCc3cc(Cl)ccn3)n12,CIPDMZUOZJLBIP-UHFFFAOYSA-N,3,1,0.541,4,338,421.804,3.174,5,0.455,0.62,1.0,0.5325800150777876,0.5735299157014598,0.4504489068603934,0.454843739291344,0.5028506442327462
EOS-3-37885,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)c(F)c1,HLMIXGAZTWCQOU-UHFFFAOYSA-N,3,1,0.404,18,814,450.384,3.077,5,0.364,0.59,1.0,0.8118446302515249,0.7678620382427523,0.4681396066068124,0.4915701459803989,0.634854105270372
EOS-3-37887,COc1cc(-c2cnc(-c3nnc4cncc(-c5cnn(-c6ccc(F)nc6)c5)n34)cn2)ccn1,XOOJKBIHFVDWKP-UHFFFAOYSA-N,3,1,0.265,86,72,466.44,3.039,6,0.353,0.63,1.0,0.05821225412925776,0.18510554451374134,0.40324515112055376,0.3339558632033445,0.24512970324172434
EOS-3-37888,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5cccnn5)n34)n2)n1C,PEQWJWNQWPJYDP-UHFFFAOYSA-N,3,1,0.265,76,14,447.466,2.809,6,0.401,0.54,0.871,0.0337708176273045,0.019575423206085945,0.030772393941470768,0.038970940991021864,0.03077239394147077
EOS-3-37889,Fc1c(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)ccnc1Cl,NLUPNBFFFLGMRP-UHFFFAOYSA-N,3,1,0.447,18,88,448.849,3.452,5,0.364,0.6,1.0,0.707370982112261,0.6653587828113221,0.5635580152148585,0.5925399218696457,0.6322069255020218
EOS-3-37890,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cc2F)n1,NHQNDPSRETYCDK-UHFFFAOYSA-N,3,1,0.489,16,772,466.839,3.857,5,0.36,0.65,1.0,0.9559488725926941,0.8918254403399356,0.7353591254883147,0.7143444589130286,0.8243694743334933
EOS-3-37891,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)c2)nn1,ITAUFQOLVUJSOE-UHFFFAOYSA-N,3,1,0.533,37,438,462.876,3.761,5,0.351,0.62,1.0,0.8829929408539511,0.8584401343293812,0.5025443766705503,0.5280566787745871,0.6930085326571174
EOS-3-37892,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)n1,SEMNQMKLQWMMNK-UHFFFAOYSA-N,3,1,0.484,65,349,463.864,3.156,5,0.374,0.6,1.0,0.7675022274004524,0.7632615996162018,0.3997755465698033,0.432792474813241,0.5908329620999246
EOS-3-37893,Cc1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccccn1,ISYDFWHNJPXNRB-UHFFFAOYSA-N,3,1,0.533,11,275,442.91,4.832,5,0.374,0.68,0.999,0.8754369131656501,0.8918340072647523,0.6527911041052704,0.6657785621273388,0.7714601466657529
EOS-3-37894,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cc4)n23)cn1,IJRPDCPJIXKAAW-UHFFFAOYSA-N,3,1,0.341,9,204,408.425,2.67,5,0.487,0.78,1.0,0.22055547940511275,0.06774724145020904,0.2522359673771503,0.20492084161469398,0.1863648824617915
EOS-3-37895,Cc1nc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)ccc1-c1cncn1C,IBNYAYQDUUHNIZ-UHFFFAOYSA-N,3,1,0.367,7,690,451.853,3.057,5,0.375,0.59,0.856,0.5249725858405867,0.5135186073607018,0.2814491810019875,0.26382701665410185,0.39594184771434443
EOS-3-37896,Clc1ccccc1-c1nnc2cncc(OCc3cnnc(-c4ccccn4)c3)n12,CXAXIHNONNEWJG-UHFFFAOYSA-N,3,1,0.506,43,389,415.844,3.876,5,0.43,0.69,1.0,0.6772411075320403,0.7462905215543828,0.5369748475087383,0.6106675347817148,0.642793502844219
EOS-3-37897,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1-c1csnn1,ZECSDEZCSZMALG-UHFFFAOYSA-N,3,1,0.495,4,51,455.425,4.361,5,0.376,0.72,0.999,0.5667534781714756,0.6848399698444246,0.809754300596258,0.7902731135631553,0.7129052155438284
EOS-3-37898,Cc1ncc(-c2nnc3cncc(OCc4ccnc(-c5ccc(F)nc5)c4)n23)cn1,OGJIIEGAIZWTKW-UHFFFAOYSA-N,3,1,0.455,55,879,414.404,3.065,5,0.404,0.72,1.0,0.7468559385922829,0.6458090603796861,0.49897196902199986,0.41373106709615515,0.5763420087725311
EOS-3-37899,Cc1nc(COc2cncc3nnc(-c4cc(-c5cncn5C)cnn4)n23)ccc1F,IEIBSRYQPRKGLG-UHFFFAOYSA-N,3,1,0.415,53,643,417.408,2.403,5,0.429,0.64,0.928,0.32959529847166064,0.2688043999725858,0.284970187101638,0.22502741415941332,0.27709932492632444
EOS-3-37900,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cc(Cl)n2)c1,UOWBZRCJOMYLEI-UHFFFAOYSA-N,3,1,0.457,20,658,448.849,3.452,5,0.364,0.58,1.0,0.7468645055170996,0.82486635597286,0.5060054142964842,0.5578181755876911,0.6588886128435337
EOS-3-37901,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cn5)n34)c2)nn1,GGNAPPHYHSCCPQ-UHFFFAOYSA-N,3,1,0.225,99,286,423.404,1.224,6,0.437,0.62,0.677,0.02666027002947022,0.01958399013090261,0.04455657597148927,0.04661263792748955,0.03435336851483791
EOS-3-37902,COCc1cncc(COc2cncc3nnc(-c4ccc(-c5cc(C)ccn5)nc4)n23)n1,RKCCBHBPIMWOKJ-UHFFFAOYSA-N,3,1,0.396,7,85,440.467,3.072,5,0.377,0.57,1.0,0.4320814200534576,0.2893907203070386,0.2306815845384141,0.15029812898362005,0.2756129634706326
EOS-3-37903,CCn1ncc(-c2cncc3nnc(-c4ccc(-c5cnnn5C)cn4)n23)c1-c1ccc(F)cc1,KXSJRZUNWKDELR-UHFFFAOYSA-N,3,1,0.284,98,813,466.484,3.671,6,0.382,0.63,1.0,0.07125111370022617,0.19385237475155917,0.2626790487286684,0.3121359056952916,0.2099796107189363
EOS-3-37905,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cc5)n34)cn2)cn1,UEWZHRFTRUPNSO-UHFFFAOYSA-N,3,1,0.288,42,327,418.424,3.095,6,0.463,0.6,1.0,0.09084367075594545,0.09771434445891303,0.37387773284901654,0.38234185456788433,0.23619440065793984
EOS-3-37906,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)n(C)n1,WRSBPUUGYNIZDJ-UHFFFAOYSA-N,3,1,0.402,46,662,416.42,3.008,5,0.435,0.66,1.0,0.3529401685970804,0.28419916386813787,0.3031663354122404,0.26078575834418477,0.30027285655541086
EOS-3-37907,COc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ccc(F)c(C)c4)cnn3)n12,KCVYJLVVSMXTMD-UHFFFAOYSA-N,3,1,0.481,19,309,456.481,4.326,5,0.36,0.7,0.999,0.6831522856555411,0.6175382084846823,0.7197930230964293,0.6252570077445,0.6614351312452882
EOS-3-37908,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)nn1C,BGZWMVRUHJJTAN-UHFFFAOYSA-N,3,1,0.368,31,569,451.441,2.703,5,0.375,0.59,0.984,0.2935970803920225,0.16805736412857242,0.20592317181824413,0.20492940853951067,0.21812675621958744
EOS-3-37909,FC(F)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cnccn5)o4)n23)cn1,UZUMSRLKWSDSBS-UHFFFAOYSA-N,3,1,0.376,85,580,419.395,3.959,5,0.411,0.67,0.998,0.28520149407168804,0.3960575011993695,0.6232951819614831,0.5511017065314234,0.463913970940991
EOS-3-37910,CCc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)cn1,QOHXYNXPONPYSM-UHFFFAOYSA-N,3,1,0.453,16,606,441.47,4.232,5,0.389,0.64,1.0,0.5924970872455624,0.5735384826262765,0.5369834144335549,0.4232489205674731,0.5315669762182167
EOS-3-37911,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)c(C)nn5)n34)ccc2F)s1,XGKGEHVVNKRENE-UHFFFAOYSA-N,3,1,0.483,36,534,468.905,4.088,5,0.38,0.68,1.0,0.6290093208142006,0.7462990884791995,0.277722568706737,0.3339644301281612,0.4967488520320746
EOS-3-37912,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cn2)cn1,RDTVVYPQYLGNAJ-UHFFFAOYSA-N,3,1,0.412,80,816,453.426,2.006,6,0.364,0.6,1.0,0.3296038653964773,0.22297991912822973,0.09645500651086286,0.06344664519224179,0.17812135905695292
EOS-3-37913,Fc1ccc(-c2nnc3cncc(CCc4ccc(-c5cncc(F)c5)nn4)n23)nc1,ZOOMAUZDJORYQO-UHFFFAOYSA-N,3,1,0.355,85,580,416.395,3.102,5,0.434,0.61,0.991,0.32961243232129395,0.4012404907134535,0.385057569734768,0.4856504009320814,0.4003902234253992
EOS-3-37914,Cn1ncnc1-c1cccc(-c2nnc3cncc(Oc4cc(Cl)c(F)cc4Cl)n23)c1,BSFLNVCDNVHDGD-UHFFFAOYSA-N,3,1,0.465,13,145,456.268,4.825,5,0.361,0.75,1.0,0.542911726406689,0.6311681858680008,0.8499760126105134,0.8811082173942841,0.7262910355698718
EOS-3-37915,COC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccnnc5)n4)n23)cc1,CLPWBJOIZBVPBD-UHFFFAOYSA-N,3,1,0.325,29,849,411.385,1.887,5,0.403,0.8,1.0,0.2068826673977109,0.09158042629017887,0.10438797889109726,0.05744979782057433,0.11507521759989034
EOS-3-37916,Fc1cncc(Oc2cncc3nnc(-c4cc(F)cc(-c5cccnc5F)c4)n23)c1,LHMXRZSYICKYGG-UHFFFAOYSA-N,3,1,0.438,13,439,420.354,4.458,5,0.4,0.73,1.0,0.877373038174217,0.870202522102666,0.9377270235076417,0.9376927558083751,0.905748834898225
EOS-3-37917,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c(Cl)c1,IWLUOXJMDZALNJ-UHFFFAOYSA-N,3,1,0.581,84,73,446.873,4.662,5,0.377,0.68,1.0,0.8419231032828456,0.8810568158453841,0.8401411829209787,0.8616698649852649,0.8561977417586183
EOS-3-37918,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)ccn1,KZAKWEFCURUQHX-UHFFFAOYSA-N,3,1,0.489,75,496,414.404,2.799,5,0.391,0.72,1.0,0.6919505174422589,0.6263278733465835,0.39978411349461995,0.3758309917072168,0.5234733739976698
EOS-3-37919,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cs2)n1,UNSUUJXRGCAUEF-UHFFFAOYSA-N,3,1,0.489,65,779,438.904,3.318,5,0.375,0.61,1.0,0.4253992186964567,0.4012490576382702,0.18215852237680763,0.20778219450346103,0.3041472483037489
EOS-3-37920,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5CO)n34)cn2)n1,FVLBIQKHPNWAIK-UHFFFAOYSA-N,3,1,0.454,89,512,458.442,0.547,5,0.351,0.72,0.987,0.37619936947433347,0.14124288945240215,0.07562024535672675,0.035638407237338084,0.1571752278802001
EOS-3-37921,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)o5)cnn4)n23)cc1,VRVIMTONDYUVIY-UHFFFAOYSA-N,3,1,0.45,89,398,476.884,3.218,5,0.375,0.66,1.0,0.4368017956274416,0.4105013364402714,0.2129566170927284,0.1477280515386197,0.3019969501747653
EOS-3-37922,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)c(Cl)c1,UAHOGHQTHLPQNE-UHFFFAOYSA-N,3,1,0.506,37,353,467.32,3.91,5,0.35,0.69,1.0,0.7405506819272154,0.7463076554040162,0.4322698923994243,0.48252347337399765,0.6004129257761635
EOS-3-37923,Clc1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]cn6)nc5)n34)nc2)n1,VIRNSCNENKHDTJ-UHFFFAOYSA-N,3,1,0.317,32,392,457.91,4.415,6,0.417,0.64,1.0,0.14311047906243574,0.2995939277636899,0.34339661435131247,0.4009749160441368,0.2967689843053938
EOS-3-37924,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)s1,LUBUVYYTFUAPPJ-UHFFFAOYSA-N,3,1,0.267,70,935,450.491,3.532,6,0.397,0.58,0.994,0.037874374614488386,0.07837022822287712,0.07125968062504283,0.09636933726269618,0.07096840518127613
EOS-3-37925,COc1ccc(-c2nnc3cncc(OCCc4cc(=O)n(C)cn4)n23)cc1-c1nccs1,HFELFOPASVMVLP-UHFFFAOYSA-N,3,1,0.521,15,777,461.507,2.639,5,0.364,0.64,0.992,0.3714275923514495,0.19848708107737648,0.14421561236378588,0.08315913919539442,0.19932235624700156
EOS-3-37926,c1ncc(-c2cnnc(COc3cncc4nnc(-c5ccc(-c6cscn6)cn5)n34)c2)cn1,QUTOJZQAXOSIEX-UHFFFAOYSA-N,3,1,0.409,6,280,466.49,3.136,6,0.361,0.64,1.0,0.26113700226166814,0.29960249468850664,0.23069015146323077,0.2077907614282777,0.2498051024604208
EOS-3-37927,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)cc1,HFBYMJUGZUWFKH-UHFFFAOYSA-N,3,1,0.456,53,207,415.392,2.194,5,0.411,0.68,1.0,0.5429202933315057,0.5642091015009252,0.24139024055924885,0.3242495373860599,0.4181922931944349
EOS-3-37928,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc2C)cn1,YTZKHYHEGFUJBL-UHFFFAOYSA-N,3,1,0.448,31,720,458.913,3.93,5,0.377,0.62,0.346,0.6263450071962169,0.6458176273045028,0.26986669864985263,0.26682544033993555,0.45221369337262696
EOS-3-37929,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5c[nH]nn5)c4)n23)cc1,NKQRRDLGGLXMSO-UHFFFAOYSA-N,3,1,0.404,62,319,410.441,2.527,5,0.46,0.8,1.0,0.21235693235556163,0.11365739154273181,0.35504763210198065,0.2607943252690014,0.23546407031731886
EOS-3-37930,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5cnnc(F)c5)s4)n23)cc1,YYNUVHRQBKENDE-UHFFFAOYSA-N,3,1,0.312,38,42,455.482,3.911,6,0.397,0.6,1.0,0.15418751285038723,0.2635957096840518,0.3361061613323281,0.34680625042834623,0.2751739085737783
EOS-3-37932,N#Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)ccn1,WXWSKOXPWUSPSE-UHFFFAOYSA-N,3,1,0.444,46,160,445.895,4.414,5,0.394,0.64,1.0,0.572313412377493,0.6311767527928175,0.7067627304502776,0.7167774655609622,0.6567575902953876
EOS-3-37933,COc1nc(-c2cccc(F)n2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,OGXORMXJQRJDQS-UHFFFAOYSA-N,3,1,0.457,58,710,444.43,2.808,5,0.35,0.63,0.999,0.6493729011034199,0.5409156329244055,0.20593173874306078,0.15551538619697072,0.3879339147419642
EOS-3-37934,COc1nc(-c2nnc3cncc(OCCc4ncc(F)cc4F)n23)ccc1-c1nccn1C,GTVSASOHIUAUDM-UHFFFAOYSA-N,3,1,0.392,49,551,464.436,2.89,5,0.362,0.62,1.0,0.5980655883763965,0.39606606812418615,0.25909807415530123,0.20493797546432732,0.3645419265300528
EOS-3-37935,Cn1nccc1-c1cnc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)cn1,GZDZMGLFQUUCMO-UHFFFAOYSA-N,3,1,0.269,99,952,456.861,2.278,6,0.392,0.56,0.995,0.02014084024398602,0.152542663285587,0.046312795558906175,0.10675245014049757,0.08143718730724418
EOS-3-37936,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnns5)cn4)n23)cc1,PFPZUNVPUHXXIV-UHFFFAOYSA-N,3,1,0.316,39,449,454.454,3.363,6,0.395,0.59,0.985,0.1705075046261394,0.2842077307929546,0.1954458227674594,0.30912891508464124,0.23982249331779865
EOS-3-37937,Cc1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(C(F)F)nc4)n23)cn1,HIQXATZVGBXLON-UHFFFAOYSA-N,3,1,0.385,82,204,415.407,4.556,5,0.428,0.76,0.977,0.2963556301829895,0.3774587074223837,0.807561167843191,0.7356761017065314,0.5542629017887739
EOS-3-37938,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)ccc1F,QMHFTYSFJSVRFQ-UHFFFAOYSA-N,3,1,0.56,4,43,413.416,3.67,5,0.434,0.76,1.0,0.6233208827359331,0.602897333972997,0.5738468919196765,0.5011651017750668,0.5753075526009184
EOS-3-37939,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c(F)c1,DZTPBTFMRRPPDY-UHFFFAOYSA-N,3,1,0.58,24,912,417.379,3.501,5,0.432,0.66,1.0,0.6802052635186073,0.5842043040230279,0.6471883352751696,0.640060653827702,0.6379146391611268
EOS-3-37940,c1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)nc1,DBECLLDSGYHCTB-UHFFFAOYSA-N,3,1,0.257,86,892,421.388,1.076,6,0.402,0.59,0.931,0.00430059625796724,0.013638544308135152,0.010828592968268111,0.014572339113151943,0.010835018161880611
EOS-3-37941,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)cc4)n23)n1,WIUADVDWJHBZEQ-UHFFFAOYSA-N,3,1,0.321,38,746,450.441,3.245,6,0.376,0.57,1.0,0.21236549928037832,0.2737903502158865,0.23069871838804742,0.3091374820094579,0.2564980124734425
EOS-3-37942,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ccn2)cn1,RXFAXGJINSPOIJ-UHFFFAOYSA-N,3,1,0.451,51,99,449.837,3.113,5,0.373,0.6,1.0,0.6739428414776232,0.6508806798711535,0.3031749023370571,0.30914604893427455,0.4842861181550271
EOS-3-37943,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ncco1,GNVWQKGYEYEXNL-UHFFFAOYSA-N,3,1,0.5,13,209,437.818,5.04,5,0.38,0.73,1.0,0.9053097800013707,0.7762319237886368,0.8733294496607498,0.8284301966965938,0.8458253375368378
EOS-3-37944,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)c1F,IRYIJZRHPMBQPT-UHFFFAOYSA-N,3,1,0.273,64,449,465.427,4.046,6,0.384,0.61,0.76,0.27694297854842026,0.33882187649921186,0.5894815297100953,0.6515831677061202,0.46420738811596185
EOS-3-37945,Cc1ccc(-c2nnc3cncc(CCc4cc(F)c(-c5nncn5C)cc4C)n23)cc1,NUKTXRRECHWANM-UHFFFAOYSA-N,3,1,0.427,14,886,427.487,4.128,5,0.422,0.74,1.0,0.3762079363991502,0.3867195531492016,0.502552943595367,0.4735453361661298,0.43475644232746213
EOS-3-37946,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccc5C#N)n(C)n4)n23)cc1,KHEVASYTCSIOPP-UHFFFAOYSA-N,3,1,0.517,43,230,439.454,4.09,5,0.409,0.62,1.0,0.5865002398738949,0.6800424919470907,0.7778767733534371,0.7301590021245974,0.693644626824755
EOS-3-37947,COc1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)cc1-c1cscn1,SOKZEAXZYKRSSD-UHFFFAOYSA-N,3,1,0.447,97,61,451.899,3.946,5,0.358,0.71,1.0,0.7405592488520321,0.6508892467959702,0.3887070797066685,0.33730553080666165,0.529365276540333
EOS-3-37948,Cn1c(-c2cc(F)cc(C#N)c2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,ZUNWIKNBMFBORG-UHFFFAOYSA-N,3,1,0.319,8,474,474.463,3.722,6,0.379,0.67,0.664,0.19571996436159275,0.3045798780069906,0.38506613665958467,0.5112826399835515,0.3491621547529299
EOS-3-37949,Clc1ncc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ccnnc1,KKVJRPCLMKZRFU-UHFFFAOYSA-N,3,1,0.478,65,658,431.847,2.708,5,0.374,0.58,1.0,0.7346480707285313,0.8014015489000068,0.3141405661023919,0.3468148173531629,0.5492512507710232
EOS-3-37950,Clc1nsc(COc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)n1,SZMWQTMSMSGGSL-UHFFFAOYSA-N,3,1,0.459,2,131,423.849,2.727,5,0.42,0.62,1.0,0.3942927146871359,0.5135271742855184,0.057184223151257624,0.08489822493317799,0.2624755842642725
EOS-3-37951,Cc1cccc(COc2cncc3nnc(-c4cc(-c5cscn5)ccc4F)n23)n1,ZEECHRGQMFXDSN-UHFFFAOYSA-N,3,1,0.523,4,92,418.457,4.336,5,0.423,0.78,1.0,0.6554382838736207,0.7046981015694607,0.602357617709547,0.5478291412514564,0.6275807861010212
EOS-3-37952,FC(F)n1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1,PJKSEQPUTHAWDO-UHFFFAOYSA-N,3,1,0.306,42,723,467.443,4.569,6,0.366,0.69,1.0,0.2290024672743472,0.2379720375573984,0.7478154341717497,0.7030189843053938,0.47945223082722227
EOS-3-37953,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cn4)n23)s1,AYSPNADWTQXVGL-UHFFFAOYSA-N,3,1,0.267,76,892,456.47,3.306,6,0.397,0.58,0.601,0.14311904598725242,0.2484579535329998,0.1383815365636351,0.19356966623260916,0.18088205057912413
EOS-3-37954,c1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnnc6)s5)n34)cn2)cn1,CZPRJAQFXRLCQA-UHFFFAOYSA-N,3,1,0.263,94,165,436.464,3.224,6,0.41,0.56,0.998,0.045336166129806045,0.11081317250359811,0.19883832499485984,0.22503598108423,0.1450059111781235
EOS-3-37955,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnn5)cn4)n23)nc1,ZFORQMSKOUMUGI-UHFFFAOYSA-N,3,1,0.357,99,502,465.441,1.203,6,0.346,0.58,1.0,0.359990747721198,0.16419368103625523,0.036015351929271466,0.027662600233020355,0.14696559522993627
EOS-3-37956,CCn1cc(-c2cncc3nnc(-c4ccc(F)c(-c5nncc(C)n5)c4)n23)c(C(F)F)n1,IMSORIRWKVGPSI-UHFFFAOYSA-N,3,1,0.302,50,542,451.416,3.912,5,0.399,0.6,0.992,0.1595418408608046,0.3485967377150298,0.4888886985127818,0.44533445274484273,0.36059043245836475
EOS-3-37957,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3cccnc3-c3ncccn3)n12,YNWTYSGVOAKNBX-UHFFFAOYSA-N,3,1,0.483,59,577,451.824,4.154,5,0.371,0.64,1.0,0.8600764169693647,0.8757196216846,0.7731906654787197,0.8057364128572407,0.8286807792474813
EOS-3-37958,CCn1nc(C)c(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)c1Cl,CANODRMKDFCKDV-UHFFFAOYSA-N,3,1,0.414,18,840,460.929,4.048,5,0.361,0.68,1.0,0.23988246179151532,0.27894763895552055,0.10949386608183126,0.16611267219518883,0.198609159756014
EOS-3-37959,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cnn2)cn1,FZKSAHGJWPPFJY-UHFFFAOYSA-N,3,1,0.562,84,778,428.431,3.107,5,0.406,0.55,1.0,0.6919590843670756,0.7093071071208279,0.4032537180453704,0.39185114111438557,0.5490927626619149
EOS-3-37960,CCn1nnc(Cc2cncc3nnc(-c4ccc(-c5cncs5)c(OC)c4)n23)n1,MFFYGMUMOVTZAG-UHFFFAOYSA-N,3,1,0.352,85,784,419.474,2.521,5,0.413,0.65,1.0,0.09792851757932973,0.0946902199986293,0.016208621753135494,0.013612843533685148,0.05561005071619492
EOS-3-37961,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4F)n23)c(Cl)c1,UHMKZSNQAVVJPV-UHFFFAOYSA-N,3,1,0.558,37,353,467.867,4.14,5,0.349,0.68,1.0,0.8773816050990336,0.8702110890274827,0.7590381056815846,0.7588924679597012,0.8163808169419505
EOS-3-37962,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5scnc5-c5ccccn5)n34)n2)nc1,UQDQEMZUJOCJJZ-UHFFFAOYSA-N,3,1,0.316,76,902,453.466,3.968,6,0.395,0.6,1.0,0.15697176341580427,0.23798060448221506,0.14137996024946886,0.21086628743746144,0.18679965389623743
EOS-3-37963,Fc1cnc(-c2cnnc(-c3cncc4nnc(-c5cnc(C(F)F)nc5)n34)c2)nn1,TXWGZRVAYDAKOP-UHFFFAOYSA-N,3,1,0.333,50,489,423.322,1.967,5,0.422,0.54,0.376,0.2769515454732369,0.37746727434720034,0.23768076211363168,0.25169625111370025,0.2859489582619423
EOS-3-37964,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)s1,VRGYDKFQQABZGK-UHFFFAOYSA-N,3,1,0.511,87,307,449.927,4.288,5,0.382,0.67,1.0,0.5953755739839627,0.6653673497361388,0.3738862997738332,0.382350421492701,0.5042449112466589
EOS-3-37965,Fc1cc(Cl)ccc1-c1nccnc1-c1nnc2cncc(-c3cn(-c4ccccc4)nn3)n12,LMYIOQZCTFFRQL-UHFFFAOYSA-N,3,1,0.294,39,144,469.871,4.289,6,0.379,0.65,0.968,0.029975669933520663,0.17227229113837297,0.48889726543759854,0.6542303474744706,0.3363438934959907
EOS-3-37966,COCCn1cnc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)n1,CTHAUKMPCIJQCH-UHFFFAOYSA-N,3,1,0.29,50,974,417.408,2.292,5,0.387,0.7,0.924,0.12102494688506614,0.16806593105338907,0.12103351380988281,0.14773661846343636,0.1394652525529436
EOS-3-37967,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cc(Cl)n2)nn1,CACWJHKPZABSIG-UHFFFAOYSA-N,3,1,0.468,20,658,445.874,3.017,5,0.363,0.58,0.959,0.5301641422794874,0.6605270372147214,0.17573332876430675,0.1935782331574258,0.39000068535398535
EOS-3-37968,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cc(Cl)n2)cn1,JBKKCEBXIYNQBY-UHFFFAOYSA-N,3,1,0.467,65,658,445.874,3.017,5,0.363,0.58,1.0,0.5582722226029745,0.6800510588719073,0.18858371598930848,0.19601123980535948,0.40572955931738747
EOS-3-37969,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5cncnc5)c4)n23)ccc1C(F)F,YDZKGKMFQVLAII-UHFFFAOYSA-N,3,1,0.494,27,817,449.396,4.299,5,0.382,0.63,1.0,0.9186741827153725,0.8757281886094168,0.9444606264135426,0.9071431019121377,0.9115015249126175
EOS-3-37970,Fc1cncc(-c2ccc(OCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)c1,UXHKWADRMLUQCG-UHFFFAOYSA-N,3,1,0.381,27,767,449.396,4.299,5,0.382,0.63,1.0,0.6150538002878487,0.7889024055924885,0.8917997395654855,0.8345812487149613,0.7825842985401961
EOS-3-37971,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)ncc1Cl,UBSFBXDXDAZOGE-UHFFFAOYSA-N,3,1,0.489,87,307,453.89,4.119,5,0.382,0.67,1.0,0.7195788499760126,0.7047066684942773,0.5369919813583716,0.5768881502295936,0.6345414125145638
EOS-3-37972,CCOc1cc(-c2ncnn2C)ccc1-c1cncc2nnc(-c3cnc(COC)c(F)c3)n12,YSDRRWOKTOWFAW-UHFFFAOYSA-N,3,1,0.333,82,336,460.473,3.333,5,0.364,0.63,0.556,0.39846480707285314,0.38672812007401824,0.35505619902679736,0.2608028921938181,0.3502630045918717
EOS-3-37973,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccc(Cl)c5)n34)n2)o1,RGKFKWDYEMUTJE-UHFFFAOYSA-N,3,1,0.318,76,176,467.88,4.322,6,0.373,0.68,0.889,0.19572853128640944,0.2789562058803372,0.17254643273250633,0.287214721403605,0.23361147282571448
EOS-3-37974,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ccc4Cl)n23)ccc1Cl,MKBBCTFUAGDVEY-UHFFFAOYSA-N,3,1,0.518,43,521,464.316,4.838,5,0.368,0.72,1.0,0.8535655541086972,0.8918425741895689,0.8760365979028168,0.894883832499486,0.8790821396751421
EOS-3-37975,N=c1ncc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ncn4)n23)c[nH]1,FKVUGCLBDVTSJW-UHFFFAOYSA-N,3,1,0.4,18,481,430.407,1.606,5,0.413,0.67,0.564,0.5276540333082037,0.36282639983551507,0.1988468919196765,0.16879411966280583,0.31453036118155026
EOS-3-37976,Fc1cccnc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1Cl,ZBPVZYMGLMPLBK-UHFFFAOYSA-N,3,1,0.482,73,756,468.279,4.668,5,0.37,0.72,1.0,0.9277979576451237,0.9393290384483586,0.7590466726064012,0.8385991364539784,0.8661932012884654
EOS-3-37977,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5nsc(C)n5)cc4)n23)c1,UMZPJGXTVZOKSD-UHFFFAOYSA-N,3,1,0.562,4,22,415.482,3.901,5,0.43,0.75,1.0,0.389906449181002,0.3913456925502022,0.20947844561716125,0.1555239531217874,0.2865636351175382
EOS-3-37978,Cc1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)cc(-c5nncs5)n4)n23)cn1,GAUSUIKXTDLESY-UHFFFAOYSA-N,3,1,0.478,27,69,470.44,4.006,5,0.38,0.69,0.999,0.6317935713796176,0.7417157837022822,0.8263570008909602,0.6775752175998904,0.7193603933931876
EOS-3-37979,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ncn2)cn1,CXCIRAJATXSSDY-UHFFFAOYSA-N,3,1,0.465,18,238,410.441,2.968,5,0.421,0.82,1.0,0.5953841409087793,0.32008601192515934,0.29948255774107324,0.2283599479130971,0.36082816462202727
EOS-3-37980,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nccs1,ZMQKZHNUBIPMJY-UHFFFAOYSA-N,3,1,0.484,72,224,451.899,3.946,5,0.382,0.69,1.0,0.5953927078335961,0.6407374408882187,0.36599616201768215,0.3121444726201083,0.47856769583990133
EOS-3-37981,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)c(F)n1,PZRFYOMFBCCJNS-UHFFFAOYSA-N,3,1,0.463,58,954,434.41,2.882,5,0.379,0.58,1.0,0.7257299019943801,0.6079089849907477,0.3215595229936262,0.3091546158590912,0.4910882564594613
EOS-3-37982,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)c(F)n1,KOYPDYKEMGITBB-UHFFFAOYSA-N,3,1,0.419,92,399,417.408,2.403,5,0.401,0.67,1.0,0.39430128161195255,0.44652525529435955,0.2447827427866493,0.17980261805222397,0.3163529744362964
EOS-3-37983,Cc1nc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(OCc4ccns4)n23)n1,UCNWTEYPGUKVTJ-UHFFFAOYSA-N,3,1,0.429,46,62,436.888,3.641,5,0.384,0.62,1.0,0.47203755739839626,0.4955966006442327,0.21296518401754505,0.24563086834349943,0.3565575526009183
EOS-3-37984,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)nc1,VHTCEXPWOBMDNT-UHFFFAOYSA-N,3,1,0.354,82,974,412.457,2.876,5,0.484,0.69,0.998,0.1930213830443424,0.10764341032143102,0.520038037146186,0.2844561716126379,0.27628975053114935
EOS-3-37985,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nc(C)n1,ANIZFPRUHCRABY-UHFFFAOYSA-N,3,1,0.521,58,578,458.913,3.93,5,0.352,0.67,1.0,0.770140840243986,0.8554074429442807,0.3397385374545953,0.30256665067507366,0.566963367829484
EOS-3-37986,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5cc(F)cnc5Cl)n34)cc2Cl)n1,BXPRJYYJJIXXQV-UHFFFAOYSA-N,3,1,0.444,13,610,457.256,4.22,5,0.373,0.67,1.0,0.6038825303269139,0.7762404907134535,0.6965680899184429,0.7537351792200672,0.7076065725447194
EOS-3-37987,Fc1ccc(F)c(Oc2cncc3nnc(-c4cncnc4-c4ccc(C(F)F)cn4)n23)c1,YNUVFQLWEWDZQI-UHFFFAOYSA-N,3,1,0.436,13,110,453.359,4.651,5,0.358,0.73,0.989,0.7556199026797341,0.8091974504831746,0.9426872729764924,0.9342745528065246,0.8604447947364815
EOS-3-37988,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cc(F)c(-c4ncccn4)cn3)n12,QVMBDKDCEQMWTN-UHFFFAOYSA-N,3,1,0.398,46,242,452.812,3.549,5,0.373,0.59,1.0,0.8689346172297991,0.796989582619423,0.6882838736207251,0.7167860324857789,0.7677485264889315
EOS-3-37989,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5F)n34)ncn2)cn1,FRYXHSWUDVWVRW-UHFFFAOYSA-N,3,1,0.402,46,959,452.812,3.549,5,0.373,0.59,0.954,0.7898790350215886,0.704715235419094,0.7403450757316153,0.7487149612774998,0.7459135768624494
EOS-3-37990,Fc1cnc(-c2cc(F)nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)nc1,OXMJMNOOSJNPEX-UHFFFAOYSA-N,3,1,0.477,73,82,452.812,3.549,5,0.373,0.59,1.0,0.7556284696045508,0.9080511959427044,0.6471969021999863,0.6744996915907066,0.746344064834487
EOS-3-37991,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)cnn2)n(C)n1,BNCUGIDEPLUQET-UHFFFAOYSA-N,3,1,0.385,53,105,418.396,1.798,5,0.42,0.61,0.983,0.4254077856212734,0.3247292851757933,0.0514700842985402,0.057458364745391,0.21476637996024947
EOS-3-37992,Fc1ccc(-c2nnc3cncc(OCc4ncnnc4-c4ccccn4)n23)c(F)c1,FXCDUWHWJXEBNL-UHFFFAOYSA-N,3,1,0.511,34,10,418.367,2.896,5,0.429,0.62,1.0,0.7133164279350285,0.7931858680008225,0.4284319100815571,0.5112912069083682,0.6115563532314441
EOS-3-37993,Fc1ccc(Cl)c(-c2nnc3cncc(-c4nnc(-c5c(F)cccc5Cl)[nH]4)n23)c1,NJDFEOIPFJUCAK-UHFFFAOYSA-N,3,1,0.365,45,730,444.232,4.828,5,0.431,0.66,0.744,0.3296209992461106,0.5135357412103352,0.9066033856486876,0.9684737166746624,0.679558460694949
EOS-3-37994,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)cnn2)cc1F,FTQWUOSXLJACRN-UHFFFAOYSA-N,3,1,0.462,65,361,429.419,2.502,5,0.401,0.55,0.8,0.677249674456857,0.6079175519155644,0.31414913302720854,0.28722328832842164,0.4716349119320129
EOS-3-37995,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ncn2)nn1,YTGNUTGXKVILKD-UHFFFAOYSA-N,3,1,0.388,31,481,463.864,3.156,5,0.374,0.59,0.386,0.6892005345761085,0.5939020629154959,0.3778013844150504,0.40387053663217054,0.5161936296347064
EOS-3-37996,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ncon6)c5)n34)cn2)cn1,LABQQKFBHBEPHB-UHFFFAOYSA-N,3,1,0.432,80,277,450.422,2.667,6,0.369,0.61,1.0,0.48691830580494827,0.3533171132890138,0.18859228291412514,0.15553252004660406,0.2960900555136728
EOS-3-37997,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)n6)nc5)n34)n2)c1,MQKVAYUSAOLEFN-UHFFFAOYSA-N,3,1,0.315,10,952,470.859,3.684,6,0.358,0.66,0.996,0.032639983551504353,0.24846652045781648,0.33267939140566105,0.4947056404632993,0.2771228839695703
EOS-3-37998,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5cccc(Cl)n5)n4)n23)cc1,QJTYOTWEOCRBAF-UHFFFAOYSA-N,3,1,0.299,39,144,470.859,3.684,6,0.358,0.66,0.659,0.03788294153930505,0.16019292714687136,0.2663114248509355,0.4388664245082585,0.22581342951134262
EOS-3-37999,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)cc1,UCGGXJLHPUYMEX-UHFFFAOYSA-N,3,1,0.512,12,755,466.53,4.289,6,0.361,0.76,1.0,0.42775512302104035,0.35838016585566446,0.2342968268110479,0.22504454800904666,0.31136916592419983
EOS-3-38000,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)nc2)nn1,KPUHFUYNLTUCSE-UHFFFAOYSA-N,3,1,0.333,38,787,452.865,4.619,6,0.381,0.69,1.0,0.2041498183811939,0.27896477280515386,0.592685559591529,0.6371564663148516,0.42823915427318204
EOS-3-38002,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(C)nn6)cn5)n34)cc2)ccn1,FJMDAWJOHVXQON-UHFFFAOYSA-N,3,1,0.305,38,532,456.513,4.989,6,0.369,0.74,1.0,0.13767904872866835,0.12715029812898362,0.5769909533273936,0.5148122130080186,0.339158128298266
EOS-3-38003,Clc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccnc(Cl)c5)c4)n23)c1,ZVNNVUMJJSNJJH-UHFFFAOYSA-N,3,1,0.517,75,496,464.316,4.572,5,0.34,0.73,1.0,0.8347097525872113,0.7889109725173052,0.7377578644369817,0.792551915564389,0.7884826262764717
EOS-3-38004,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccno5)cc4)n23)nc1Cl,WSRDCDBWKOQITQ-UHFFFAOYSA-N,3,1,0.53,97,744,429.827,3.945,5,0.386,0.67,1.0,0.7133249948598451,0.7720169967788363,0.7525101089712837,0.7329860873140978,0.7427095469810157
EOS-3-38005,Cc1ccnc(-c2ncccc2-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)n1,PJYARTYQAGVLPD-UHFFFAOYSA-N,3,1,0.545,11,752,461.888,4.366,5,0.371,0.67,1.0,0.8118531971763416,0.867212665341649,0.540333082036872,0.5834247138647112,0.7007059146048935
EOS-3-38006,Fc1ccc(Cc2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)nc1,IYSXQQDGGTVHNS-UHFFFAOYSA-N,3,1,0.378,14,358,416.847,4.632,5,0.427,0.75,1.0,0.35074703584401346,0.4377784250565417,0.8118960318004249,0.8839096018093345,0.6210827736275787
EOS-3-38007,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)ccn4)n23)cc1F,PKBCNRQVYWVCSW-UHFFFAOYSA-N,3,1,0.427,18,692,465.851,4.196,5,0.371,0.62,1.0,0.7103351380988281,0.6997464190254267,0.7709032965526694,0.8035946816530738,0.7461448838324996
EOS-3-38008,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)n(C)n1,NDSAMVZRZXCEFT-UHFFFAOYSA-N,3,1,0.547,27,69,448.437,3.807,5,0.39,0.64,0.988,0.5094835857720512,0.4332465218285244,0.6203738605989993,0.45804776917277773,0.5052879343430882
EOS-3-38009,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)nc1Cl,YPRXOUHMYITFNU-UHFFFAOYSA-N,3,1,0.412,54,873,449.837,2.847,5,0.36,0.58,1.0,0.6290178877390172,0.5842128709478446,0.2022565279967103,0.2904444520594887,0.4264829346857652
EOS-3-38010,Cn1cnc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)cn2)c1,XYCKMNRBXBYDFF-UHFFFAOYSA-N,3,1,0.263,86,513,423.4,2.094,6,0.414,0.59,1.0,0.19302994996915906,0.10100404358851346,0.07789904735796038,0.0762713316427935,0.1120510931396066
EOS-3-38011,Cc1nc(-c2nnc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)s2)n(C)n1,QJTWMXNADPJFRP-UHFFFAOYSA-N,3,1,0.259,99,880,454.483,2.266,6,0.39,0.57,0.67,0.016354259475018847,0.006759303680350901,0.002690014392433692,0.002510108971283668,0.007078421629771777
EOS-3-38013,Clc1cccc(OCc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)n1,PPDRCRRPEAUMQF-UHFFFAOYSA-N,3,1,0.366,14,351,415.844,3.876,5,0.402,0.7,1.0,0.4390634637790419,0.5227623192378864,0.6288893838667672,0.6400692207525187,0.5576960969090536
EOS-3-38014,Cc1cnc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cn1,LSCFYCVXXYWUTF-UHFFFAOYSA-N,3,1,0.402,13,110,417.379,4.022,5,0.436,0.67,1.0,0.637610513330135,0.5735470495510931,0.7377664313617983,0.7030275512302104,0.6629878863683092
EOS-3-38015,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cc(CO)cnc5C)ncn4)n23)nn1,YSQZFYVEZQNSDW-UHFFFAOYSA-N,3,1,0.349,7,828,442.443,1.516,5,0.407,0.57,0.954,0.2798300322116373,0.12715886505380028,0.08221677746556096,0.045259063806456036,0.13361618463436364
EOS-3-38016,Fc1ncc(COc2cncc3nnc(-c4nccnc4-c4ccccn4)n23)c(F)c1F,MXTTUUNHPKYISO-UHFFFAOYSA-N,3,1,0.409,46,564,436.357,3.035,5,0.387,0.58,0.998,0.7073795490370777,0.6126550613391817,0.5894900966349119,0.5893701596874786,0.6247237166746625
EOS-3-38017,COc1ccn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)n2)c1,IMGCBUNCFGIENW-UHFFFAOYSA-N,3,1,0.337,38,983,464.464,4.249,6,0.376,0.66,1.0,0.3344784456171613,0.3628349667603317,0.5863803029264615,0.5046689740250839,0.44709067233225963
EOS-3-38018,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,VWQUBWCQACAYOL-UHFFFAOYSA-N,3,1,0.442,18,531,462.876,3.761,5,0.351,0.64,1.0,0.8066102391885409,0.6848485367692413,0.43227845932424097,0.4704783770817627,0.5985539030909465
EOS-3-38019,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5nnco5)n(C)n4)n23)cn1,KWURUTMWAICAJW-UHFFFAOYSA-N,3,1,0.223,86,953,438.415,1.797,6,0.396,0.56,0.93,0.04378555273798917,0.018050510588719072,0.014186827496401891,0.011702419299568226,0.02193132753066959
EOS-3-38020,Fc1ncccc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5csnn5)nc4)n23)cn1,HDQAYCYXRONDCX-UHFFFAOYSA-N,3,1,0.262,70,72,454.454,3.363,6,0.369,0.63,0.792,0.07931258995271058,0.2229884860530464,0.27382461791515317,0.3242581043108766,0.22509594955794665
EOS-3-38021,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cc2F)n(C)n1,UQLIGXQGTQSMNI-UHFFFAOYSA-N,3,1,0.517,73,610,468.855,3.801,5,0.387,0.63,1.0,0.580589061750394,0.7139760811459118,0.5831420053457611,0.607617709546981,0.621331214447262
EOS-3-38022,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccn2)c(F)c1,ZXJYZADOYJUFCL-UHFFFAOYSA-N,3,1,0.558,11,201,444.445,4.456,5,0.36,0.69,1.0,0.9380182989514084,0.8389846480707285,0.8433623466520458,0.8099427729422246,0.8575770166541019
EOS-3-38023,Cc1c(Cl)ccnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,JMLQHILZRXEUGB-UHFFFAOYSA-N,3,1,0.327,63,108,405.849,3.102,5,0.56,0.85,1.0,0.13493763278733467,0.18511411143855802,0.09204304023027894,0.19883832499485984,0.15273327736275785
EOS-3-38024,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc(Cl)n2)nn1,SPIFSFMAQKOAPP-UHFFFAOYSA-N,3,1,0.4,53,128,466.292,3.628,5,0.358,0.62,0.967,0.48938558015214856,0.660535604139538,0.26631999177575216,0.3373140977314783,0.43838881844972927
EOS-3-38025,Fc1ccc(-c2cnccc2COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,IMGWMXPMTNTJSP-UHFFFAOYSA-N,3,1,0.524,97,430,448.408,4.904,5,0.368,0.77,1.0,0.9240028099513399,0.9350198752655746,0.9529932835309437,0.9317473099856076,0.9359408196833664
EOS-3-38026,Fc1cnc(Cl)c(F)c1COc1cncc2nnc(-c3cc(-c4cc[nH]n4)n[nH]3)n12,HJQZNMANFPEMBA-UHFFFAOYSA-N,3,1,0.383,90,963,429.778,2.81,5,0.412,0.6,0.904,0.5402217120142554,0.4465338222191762,0.6259423617298334,0.656980330340621,0.5674195565759714
EOS-3-38027,Fc1ncncc1CCOc1cncc2nnc(-c3cc(-c4cncs4)ccn3)n12,YYCPPUXTUDYEFP-UHFFFAOYSA-N,3,1,0.435,18,840,420.433,2.86,5,0.386,0.68,1.0,0.5639349599067919,0.4641045850181619,0.26987526557466934,0.26683400726475226,0.3911872044410938
EOS-3-38028,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)c2)s1,AQAGQPAWQKLXMT-UHFFFAOYSA-N,3,1,0.424,59,910,452.902,4.99,5,0.374,0.79,1.0,0.6585138098828045,0.617546775409499,0.7615310808032348,0.7615310808032348,0.6997806867246933
EOS-3-38029,CCCc1cnc(Cc2cncc3nnc(-c4c(F)cc(-c5n[nH]c(C)n5)cc4F)n23)cn1,XYCBRYYFCRYWGJ-UHFFFAOYSA-N,3,1,0.317,85,5,447.453,3.496,5,0.424,0.58,1.0,0.37621650332396683,0.4242512507710232,0.18544822150640805,0.1988468919196765,0.29619071688026866
EOS-3-38030,CCc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc(C(F)(F)F)n1,VTPMURFFANMJLW-UHFFFAOYSA-N,3,1,0.554,68,255,452.799,4.534,4,0.414,0.65,0.977,0.8645569186484819,0.9609776574600781,0.9397659516140087,0.8976509492152697,0.9157378692344595
EOS-3-38031,Cc1cccc(CCOc2cncc3nnc(-c4cnnc(-c5cncc(F)c5)c4)n23)n1,WKFNZKUSCLDTBC-UHFFFAOYSA-N,3,1,0.44,87,778,428.431,3.107,5,0.406,0.56,0.997,0.6711157562881228,0.6029059008978137,0.36247515591803164,0.3404067575902954,0.4942258926735659
EOS-3-38032,Cn1nccc1-c1ccnc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,RREGIFDGAASVRD-UHFFFAOYSA-N,3,1,0.478,18,904,416.42,2.742,5,0.42,0.66,1.0,0.4869268727297649,0.28939928723185526,0.42497943938043997,0.3727897333972997,0.39352383318483997
EOS-3-38033,N#Cc1cccc(-c2nnc3cncc(OCc4ncc(-c5cnc(C(F)F)cn5)s4)n23)n1,APJZGTAGCLOKMU-UHFFFAOYSA-N,3,1,0.408,7,69,463.433,3.488,5,0.372,0.63,0.963,0.5045490370776506,0.5227708861627031,0.44338976081145914,0.38542594750188475,0.46403390788842447
EOS-3-38034,Cc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccnc(F)c1,LVZHISBDDXUOLY-UHFFFAOYSA-N,3,1,0.442,18,161,445.433,3.851,5,0.367,0.61,1.0,0.7758549790967034,0.6997549859502433,0.6912051949832089,0.6486789801932699,0.7038735350558564
EOS-3-38035,FC(F)(F)Oc1cc(Cl)nc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)n1,YPLTTWMTRMTFGT-UHFFFAOYSA-N,3,1,0.348,96,121,458.791,4.19,5,0.402,0.61,1.0,0.5582807895277911,0.7185850866972792,0.9170721677746556,0.8880388595709684,0.7704942258926736
EOS-3-38036,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccncn5)cnn4)n23)c1,UAKMMUBWXWSBOV-UHFFFAOYSA-N,3,1,0.522,19,873,414.404,2.799,5,0.418,0.68,1.0,0.6405918031663355,0.5455931738743061,0.45045747378521006,0.4642073881159619,0.5252124597354534
EOS-3-38037,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccno5)nn4)n23)cc1,YDVOEKMXCWBITK-UHFFFAOYSA-N,3,1,0.276,30,880,420.396,2.755,6,0.419,0.6,0.95,0.07932115687752725,0.01805907751353574,0.08724556233294496,0.1503066959084367,0.08373312315811117
EOS-3-38038,COc1cncc(COc2cncc3nnc(-c4ccc(Oc5ccc(F)nc5)c(F)c4)n23)n1,KHKXJOITHGYXDI-UHFFFAOYSA-N,3,1,0.457,16,401,463.404,3.634,5,0.334,0.71,1.0,0.834718319512028,0.8055565074360908,0.6937238708793092,0.5641662668768419,0.7245412411760674
EOS-3-38039,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cn2)cn1,BCERCTDLSLCOCV-UHFFFAOYSA-N,3,1,0.303,42,664,469.871,4.289,6,0.355,0.71,0.947,0.017373723528202316,0.20301898430539372,0.6555753546706874,0.7087673908573778,0.39618386334041533
EOS-3-38040,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)nc1F,JPLOMTAZHAXEGI-UHFFFAOYSA-N,3,1,0.458,84,442,467.867,4.14,5,0.349,0.7,1.0,0.7816376533479542,0.7720255637036529,0.7223373997669796,0.7487235282023165,0.7561810362552258
EOS-3-38042,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccccc5)n34)cn2)ncc1F,LVGWVGZYJPCVSG-UHFFFAOYSA-N,3,1,0.494,7,156,414.404,3.065,5,0.432,0.68,1.0,0.7758635460215201,0.6702676307312727,0.21630628469604551,0.21087485436227812,0.46832807895277906
EOS-3-38043,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)ncc4F)n23)cc1,RPDTWOXKBGLWEM-UHFFFAOYSA-N,3,1,0.484,56,8,480.467,3.157,6,0.354,0.71,1.0,0.5610050716194914,0.44654238914399286,0.23768932903844836,0.21672606401206224,0.3654907134534987
EOS-3-38044,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccncc6)c5)n34)cn2)nc1,GCVXXIPSTHDIII-UHFFFAOYSA-N,3,1,0.295,32,191,429.447,3.767,6,0.417,0.55,0.992,0.1324189568912343,0.12716743197861696,0.4322870262490576,0.4421732574874923,0.28351166815160034
EOS-3-38045,COc1ccc(Cl)cc1-c1nc(C)sc1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,OBPWXEISRSQQSN-UHFFFAOYSA-N,3,1,0.356,82,204,477.937,4.046,5,0.405,0.72,0.862,0.4114608320197382,0.46411315194297853,0.21631485162086217,0.2018281817558769,0.32342925433486397
EOS-3-38046,FCc1cc(-c2cc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)ncn2)ccn1,TWESVJYALUIZPL-UHFFFAOYSA-N,3,1,0.366,44,971,435.369,4.183,5,0.409,0.61,0.932,0.6677660886848057,0.7093156740456446,0.8283273935987938,0.8057449797820574,0.7527885340278254
EOS-3-38047,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c(F)c1,BBLZSQJOOPBJFI-UHFFFAOYSA-N,3,1,0.56,4,712,435.85,3.958,5,0.415,0.58,1.0,0.5249811527654034,0.6458261942293194,0.754771777122884,0.7589010348845179,0.6711200397505311
EOS-3-38048,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnc(C)s5)nn4)n23)n(C)n1,ZKZRSSLCDBPAQM-UHFFFAOYSA-N,3,1,0.386,53,662,419.474,2.634,5,0.428,0.63,0.967,0.12962613940100062,0.16807449797820576,0.028570694263587142,0.01458090603796861,0.08521305942019054
EOS-3-38049,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cncc(-c4ccsc4)c3)n12,HTCLFUXQVYIBAW-UHFFFAOYSA-N,3,1,0.476,2,419,438.875,4.681,5,0.396,0.69,1.0,0.7376636282639983,0.6947005003084092,0.8482112260982798,0.8648053594681653,0.7863451785347131
EOS-3-38050,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cc5C)cs4)n23)nc1,SNHUTKABYZREAI-UHFFFAOYSA-N,3,1,0.415,46,128,432.484,4.645,5,0.402,0.69,1.0,0.5954012747584128,0.6558152285655541,0.5132101980673017,0.4453430196696594,0.552442430265232
EOS-3-38052,Cc1ccncc1-c1nnc2cncc(-c3ccc(Oc4ccc(Cl)c(F)c4)cn3)n12,AQWJQSBIMBDCBX-UHFFFAOYSA-N,3,1,0.38,96,586,432.846,5.142,5,0.391,0.74,1.0,0.4795935850866973,0.5789527791104105,0.8771502981289836,0.8854345144267014,0.7052827941881982
EOS-3-38053,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)nc1,XUNSPFYZRFGZBO-UHFFFAOYSA-N,3,1,0.483,27,700,431.406,4.16,5,0.399,0.61,1.0,0.5836131862106778,0.5364008635460216,0.7525186758961003,0.7116544445205949,0.6460467925433486
EOS-3-38054,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cc2)n1,QSPGVYCINYMOHY-UHFFFAOYSA-N,3,1,0.489,81,609,474.488,3.383,6,0.354,0.65,1.0,0.4555119594270441,0.3725412925776163,0.20226509492152697,0.1688026865876225,0.29978025837845246
EOS-3-38055,CCc1nc(-c2cccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)c2)ns1,DOYFWFHVFBDOKH-UHFFFAOYSA-N,3,1,0.518,43,521,450.474,4.729,5,0.372,0.77,1.0,0.5507333287643068,0.5842214378726612,0.5200466040710027,0.5674559660064423,0.5556143341786033
EOS-3-38056,Fc1ccccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cn1,QWOYGQRAHLHFOK-UHFFFAOYSA-N,3,1,0.384,69,594,445.461,5.116,6,0.375,0.74,1.0,0.29088993214995545,0.48604447947364815,0.8173959975327256,0.8461979987663628,0.610132101980673
EOS-3-38057,NCc1nnc(-c2cncc3nnc(-c4ccc(-c5ccnc(CO)c5)nc4)n23)s1,VSPHRBYEIVBACM-UHFFFAOYSA-N,3,1,0.292,50,974,417.458,1.718,5,0.437,0.64,1.0,0.0814885888561442,0.048745802206839835,0.03870536632170516,0.053166335412240424,0.0555265231992324
EOS-3-38058,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)c1F,SBRSYPKGIRSNHY-UHFFFAOYSA-N,3,1,0.522,65,262,422.355,2.531,5,0.38,0.69,1.0,0.7009886231238435,0.6311853197176341,0.4284404770063738,0.4009834829689535,0.5403994757042012
EOS-3-38059,Cc1nnc(-c2ccnnc2)cc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)nc3)n12,LNBBLYGLINKQKU-UHFFFAOYSA-N,3,1,0.272,99,719,448.454,2.204,6,0.394,0.52,0.993,0.0634980467411418,0.03790007538893839,0.07562881228154342,0.06854396545815913,0.06139272496744568
EOS-3-38060,COc1ncc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1-c1ccsc1,AMNQDLOGCRJJCF-UHFFFAOYSA-N,3,1,0.727,84,657,447.495,4.684,5,0.361,0.75,1.0,0.6493814680282366,0.6605441710643547,0.680290932766774,0.6043708450414639,0.6486468542252073
EOS-3-38061,Fc1ncccc1-c1ncoc1-c1cncc2nnc(-c3ccc(-c4cocn4)cc3)n12,WVAXGOBKWOOBRC-UHFFFAOYSA-N,3,1,0.338,69,484,425.383,4.302,6,0.385,0.67,1.0,0.32685388253032693,0.45069734768007674,0.5671818244123089,0.5738725926941265,0.4796514118292098
EOS-3-38062,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cc2)cs1,MJNBIUZCVDNUGS-UHFFFAOYSA-N,3,1,0.612,91,660,449.486,5.123,5,0.36,0.8,1.0,0.9498577890480433,0.9234973613871564,0.8386419710780618,0.8013844150503735,0.8783453841409088
EOS-3-38063,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)nc1-c1ccncc1,CPRVCINDFTYOJW-UHFFFAOYSA-N,3,1,0.484,40,25,464.464,4.357,6,0.39,0.66,0.998,0.6617949420875883,0.6029144678226304,0.6500068535398533,0.6106761017065314,0.6313480912891508
EOS-3-38064,Cc1ncc(-c2cnnc(-c3cncc4nnc(-c5nccnc5-c5cnccn5)n34)c2)o1,SHBLJDZVSVAVSL-UHFFFAOYSA-N,3,1,0.236,86,953,435.411,2.459,6,0.402,0.53,0.873,0.06001987526557467,0.0265060653827702,0.06707045438969228,0.07026591734630937,0.05596557809608663
EOS-3-38065,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c(F)c2)ns1,SNGXXHFPVBRYEH-UHFFFAOYSA-N,3,1,0.561,4,71,453.89,4.385,5,0.39,0.71,1.0,0.5556850113083408,0.7417243506270988,0.4853591254883147,0.5348759509286547,0.5794111095881023
EOS-3-38066,CCc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nccc(C)n1,VZWLIXMBVYNXIQ-UHFFFAOYSA-N,3,1,0.422,18,578,456.485,3.67,5,0.342,0.66,1.0,0.6711243232129395,0.6126636282639983,0.18860084983894182,0.1528596395038037,0.40631211020492086
EOS-3-38067,FC(F)c1ncc(-c2nnc3cncc(Cc4cnc(-c5ccc(Cl)s5)cn4)n23)cn1,VARKZNCUJKXQJA-UHFFFAOYSA-N,3,1,0.341,85,674,456.869,4.282,5,0.389,0.63,1.0,0.33197690357069426,0.4727743129326297,0.47824001096566376,0.5112997738331848,0.4485727503255431
EOS-3-38068,Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5cc(F)ncc5F)c4)n23)nn1,DZLMVABQSAYVOB-UHFFFAOYSA-N,3,1,0.381,54,97,450.384,3.343,5,0.376,0.59,0.993,0.6892091015009252,0.6508978137207868,0.6937324378041259,0.6569888972654376,0.6727070625728189
EOS-3-38069,Cc1cc(COc2cncc3nnc(-c4cnnc(-c5cccnc5F)c4)n23)n(C)n1,ZHWWNKZKQUAIQF-UHFFFAOYSA-N,3,1,0.441,92,662,417.408,2.403,5,0.401,0.69,0.997,0.31942635871427594,0.372549859502433,0.21632341854567885,0.1767613597423069,0.27126524912617367
EOS-3-38070,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)ccn1,DEFRWIZFHFFQJQ-UHFFFAOYSA-N,3,1,0.538,35,393,413.416,3.404,5,0.394,0.8,1.0,0.7195874169008293,0.7139846480707285,0.6692138989788226,0.6311424850935509,0.6834821122609828
EOS-3-38071,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ncc(Cl)s5)[nH]4)n23)cc1,BBRCFRFOQKKHRI-UHFFFAOYSA-N,3,1,0.316,98,882,461.902,3.149,6,0.424,0.57,1.0,0.15955040778562127,0.21756562264409568,0.05907751353574121,0.1089798505928312,0.13629334863957235
EOS-3-38072,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnsc5)cn4)n23)cn1,NBBCSCDMJQBGEA-UHFFFAOYSA-N,3,1,0.483,6,843,468.506,3.079,6,0.363,0.65,1.0,0.3194349256390926,0.23290898499074772,0.15640634637790418,0.13378966486190116,0.21063498046741141
EOS-3-38073,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cnco5)n4)n23)cn1,VPHDAANKYHSVRX-UHFFFAOYSA-N,3,1,0.388,80,34,470.428,2.75,6,0.357,0.64,1.0,0.6711328901377561,0.5272685216914537,0.13507470358440135,0.11616750051401549,0.3624109039819067
EOS-3-38074,Cc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)nc5)n34)n2)ccn1,PFWRZSSHJSEVID-UHFFFAOYSA-N,3,1,0.32,32,368,460.476,4.82,6,0.372,0.7,1.0,0.3463350695634295,0.40578096086628745,0.620382427523816,0.6043794119662805,0.4942194674799534
EOS-3-38075,Cc1cnc(Cl)c(-c2ccc(-c3cncc4nnc(-c5cnccc5C)n34)c(F)c2)n1,ZMFGCSPEWDOUSL-UHFFFAOYSA-N,3,1,0.306,82,478,431.862,4.72,5,0.411,0.65,1.0,0.279838599136454,0.39135425947501884,0.7017510794325269,0.7273918854088136,0.5250839558632033
EOS-3-38076,Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)c2)cn1,CMCXTQLBMHBHIC-UHFFFAOYSA-N,3,1,0.398,28,414,473.5,3.988,6,0.354,0.69,1.0,0.5533119731341237,0.3583887327804811,0.3473459666917963,0.27860496196285384,0.38441290864231376
EOS-3-38077,Cn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)cc(Cl)n1,NKHHTCCEIIUWKO-UHFFFAOYSA-N,3,1,0.578,13,573,456.268,4.825,5,0.361,0.74,0.999,0.6831608525803577,0.6311938866424508,0.8706223014186828,0.8964258789664862,0.7703507299019944
EOS-3-38078,COc1cc(-c2nnc3cncc(Oc4ncccn4)n23)ccc1-c1ccc(F)nc1,JZGOXOQDEHBLTP-UHFFFAOYSA-N,3,1,0.411,97,83,415.388,3.583,5,0.402,0.73,1.0,0.8323624151874444,0.680059625796724,0.6203909944486328,0.4793794119662806,0.6530481118497704
EOS-3-38079,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)c2)n[nH]1,VUTRNZYXSPLUCT-UHFFFAOYSA-N,3,1,0.462,16,606,416.42,3.306,5,0.468,0.67,1.0,0.5723219793023097,0.5227794530875197,0.40697176341580427,0.3153313686519087,0.45435114111438557
EOS-3-38080,O=Cc1ccnc(-c2cncc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)c1,KHMMPCOESZICAM-UHFFFAOYSA-N,3,1,0.362,2,995,429.827,3.902,5,0.387,0.64,0.994,0.6290264546638339,0.5046775409499006,0.5370005482831882,0.5180762113631691,0.5471951888150229
EOS-3-38081,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(C(C)(C)N)nc4)n23)nc1,KYEHLLKNXLUMAD-UHFFFAOYSA-N,3,1,0.346,50,918,414.437,1.028,5,0.451,0.64,1.0,0.1030172709204304,0.07503769446919334,0.022274004523336305,0.006519429785484202,0.05171209992461106
EOS-3-38082,Fc1cnc(-c2nccnc2COc2cncc3nnc(-c4ccc(F)cc4F)n23)nc1,FXYWYLXXMYVWLK-UHFFFAOYSA-N,3,1,0.517,73,930,436.357,3.035,5,0.414,0.54,1.0,0.822339113151943,0.8757367555342335,0.4853676924131314,0.5641748338016586,0.6869045987252416
EOS-3-38083,N#Cc1ncsc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,CSIBEQDQKPNYLO-UHFFFAOYSA-N,3,1,0.585,97,91,445.895,4.414,5,0.394,0.69,1.0,0.9199934891371393,0.9320043177301076,0.6991810019875265,0.7248132410389967,0.8189980124734426
EOS-3-38084,Cc1nc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)c2)n(C)n1,NKPIIHZTRXUYIH-UHFFFAOYSA-N,3,1,0.308,42,725,451.519,4.081,6,0.398,0.6,1.0,0.07125968062504283,0.07504626139401001,0.19545438969227605,0.20183674868069357,0.13589927009800562
EOS-3-38085,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4nn(C)cc4Cl)n23)c(F)c1,YKCCVZSMVWJSLJ-UHFFFAOYSA-N,3,1,0.478,36,908,467.896,3.217,5,0.362,0.65,1.0,0.5276626002330204,0.612672195188815,0.17255499965732302,0.23716674662463164,0.3875141354259475
EOS-3-38086,COc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)ccc1-c1ccccn1,ZSUTXKIFGXSARK-UHFFFAOYSA-N,3,1,0.5,72,224,463.86,4.023,5,0.372,0.63,1.0,0.7644524021657186,0.7504283462408334,0.6472054691248029,0.5984253992186964,0.6901279041875129
EOS-3-38087,FC(F)c1cncc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5cncnc5)n34)cn2)n1,BGYADLISDANXAL-UHFFFAOYSA-N,3,1,0.292,86,780,469.419,3.224,6,0.374,0.62,0.98,0.005131587965184018,0.11661298060448222,0.4610376259337948,0.4264186827496402,0.2523002193132753
EOS-3-38088,Cc1ccsc1COc1cncc2nnc(-c3ccc(-c4nc(C)c(C)nc4C)nc3)n12,DUHXROYWDZASKP-UHFFFAOYSA-N,3,1,0.451,7,567,443.536,4.517,5,0.394,0.66,1.0,0.4482900418065931,0.3867366869988349,0.0897642382290453,0.05060482489205675,0.24384894798163254
EOS-3-38089,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5cnc(F)cc5F)c4)n23)c1F,BYKQVVHHFGPNKD-UHFFFAOYSA-N,3,1,0.457,75,577,449.396,3.948,5,0.375,0.63,1.0,0.7843790692892879,0.7804982523473374,0.8664245082585155,0.8185782331574258,0.8124700157631417
EOS-3-38090,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)c(Cl)c4)n23)cn1,FPKDMQFZNNJHHU-UHFFFAOYSA-N,3,1,0.511,37,846,454.277,4.165,5,0.377,0.65,1.0,0.827624905763827,0.8092060174079913,0.5060139812213008,0.5863374683023782,0.6822955931738743
EOS-3-38091,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(C#N)n4)n23)c(Cl)c1,XREJTKVTROFPEI-UHFFFAOYSA-N,3,1,0.483,90,555,412.24,3.647,4,0.472,0.75,1.0,0.7103437050236447,0.8615327941881982,0.65001542046467,0.7116630114454116,0.7333887327804811
EOS-3-38092,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)nc1,PJBQVFNLKVSXRC-UHFFFAOYSA-N,3,1,0.456,2,422,431.406,3.809,5,0.391,0.62,1.0,0.7582756493729012,0.6407460078130355,0.7867692413131382,0.7143530258378452,0.7250359810842301
EOS-3-38093,CCn1ccc(Cc2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)n1,INROOJAINVPWKL-UHFFFAOYSA-N,3,1,0.394,14,81,415.888,4.314,5,0.427,0.77,1.0,0.07322150640805976,0.2126910424234117,0.41012439174833804,0.5078730039065177,0.3009774861215818
EOS-3-38094,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cn4)n23)nc1,RRYMLWVGLVOSGC-UHFFFAOYSA-N,3,1,0.351,85,60,409.413,1.728,5,0.463,0.75,1.0,0.10023302035501336,0.03187752724282092,0.12104208073469948,0.09438181070522925,0.08688360975944076
EOS-3-38096,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C6CC(F)CN6)nn5)n34)cn2)o1,KEHUDBPOBLUAQF-UHFFFAOYSA-N,3,1,0.322,50,14,444.434,2.374,6,0.44,0.49,0.996,0.1957370982112261,0.15255123021040368,0.12105064765951613,0.13578575834418477,0.15128118360633266
EOS-3-38097,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1Cl,CQDRGTBMSFZCKN-UHFFFAOYSA-N,3,1,0.518,16,772,452.305,4.473,5,0.391,0.63,1.0,0.7318723870879309,0.6362740730587348,0.8209084367075594,0.8442276060585292,0.7583206257281886
EOS-3-38098,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)cc5C)n34)nn2)n1,ZMIZTEAGOJWRFL-UHFFFAOYSA-N,3,1,0.38,53,44,430.407,2.163,5,0.382,0.57,0.602,0.6150623672126654,0.49560516756904943,0.10950243300664793,0.10041292577616338,0.3301457233911315
EOS-3-38100,Cc1c(-c2cnc(-c3nnc4cncc(-c5ccc(-c6csnn6)nc5)n34)cn2)cnn1C,JVCMGMPQUJTLJZ-UHFFFAOYSA-N,3,1,0.24,86,813,453.495,2.871,6,0.396,0.57,0.997,0.014769378383935303,0.034995887876088,0.06932355561647591,0.06680487972037558,0.0464734253992187
EOS-3-38101,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)c(C)n5)n34)cn2)n1,WJOOTVGNPRQHMX-UHFFFAOYSA-N,3,1,0.46,65,986,432.423,2.139,5,0.428,0.59,1.0,0.5480690151463231,0.5891474196422453,0.046321362483722844,0.036572202042354875,0.3050274998286615
EOS-3-38102,Cc1nn(C)cc1-c1cncc(COc2cncc3nnc(-c4cc(Cl)ccc4Cl)n23)n1,CGXCPLLEFWPKTE-UHFFFAOYSA-N,3,1,0.456,73,399,467.32,4.176,5,0.383,0.67,0.997,0.3438677952162292,0.46412171886779524,0.4782485778904804,0.5478377081762731,0.4585189500376945
EOS-3-38103,CCn1ncc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)n1,WNHWBZPJFIPCKB-UHFFFAOYSA-N,3,1,0.453,27,69,467.415,3.515,5,0.358,0.68,0.836,0.47720341306284697,0.564217668425742,0.417500514015489,0.3663045713110822,0.45630654170379004
EOS-3-38104,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5sncc5F)n34)ncn2)cn1,NMLYHKZXJXUEKQ-UHFFFAOYSA-N,3,1,0.375,51,113,451.447,2.359,5,0.364,0.64,0.874,0.43418031663354123,0.3822047837708176,0.09911075320402989,0.08490679185799466,0.2501006613665958
EOS-3-38105,COc1ncccc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccn1,MYXIVYWDPZKXQS-UHFFFAOYSA-N,3,1,0.489,13,110,448.845,4.842,5,0.38,0.7,1.0,0.6951802480981427,0.7504369131656501,0.8097628675210746,0.7691385100404359,0.7561296347063259
EOS-3-38106,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)c(F)c2)c1,ZDSIXILUJCAJFH-UHFFFAOYSA-N,3,1,0.451,7,815,416.42,3.183,5,0.419,0.67,1.0,0.52498971969022,0.5504334863957234,0.4359108354465081,0.35963093687889797,0.46774124460283734
EOS-3-38107,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnc5)cn4)n23)cc1,HLBAOJVCWHHGMR-UHFFFAOYSA-N,3,1,0.415,14,357,407.437,2.938,5,0.479,0.83,1.0,0.15156603385648687,0.04520766225755603,0.4249880063052567,0.3532057432663971,0.24374186142142418
EOS-3-38108,Cc1nnc(-c2nccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)n2)s1,AEBGEKWIMIUFJI-UHFFFAOYSA-N,3,1,0.258,99,866,472.473,2.405,6,0.376,0.58,0.998,0.09549551093139606,0.28421629771777124,0.02036358028921938,0.036580768967171544,0.10916403947638956
EOS-3-38109,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)n5)ccc4F)n23)cc1,QIJZQFBMDIDVHN-UHFFFAOYSA-N,3,1,0.529,1,230,446.873,4.928,5,0.356,0.76,1.0,0.9673257487492289,0.9378298266054417,0.8812024535672675,0.8616784319100815,0.9120091152080049
EOS-3-38110,CCn1cc(-c2cccc(-c3nnc4cncc(Cc5cnc(F)c(Cl)c5)n34)c2)cn1,LWNRGFGAFCGWLD-UHFFFAOYSA-N,3,1,0.333,14,81,433.878,4.453,5,0.383,0.7,0.999,0.2097097525872113,0.25329826605441713,0.7223459666917963,0.7356846686313481,0.4802596634911932
EOS-3-38111,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nn6)nc5)n34)cn2)nn1,RRYAQKFCDCSHJJ-UHFFFAOYSA-N,3,1,0.318,70,887,451.429,2.64,6,0.398,0.52,0.859,0.12103351380988281,0.18512267836337468,0.23430539373586456,0.2486121581796998,0.19726843602220548
EOS-3-38112,CCn1ncc(COc2cncc3nnc(-c4ccnc(-c5cccc(C)c5C)c4)n23)c1C,OTUNZJFVEPXOFR-UHFFFAOYSA-N,3,1,0.473,89,677,439.523,4.574,5,0.385,0.69,1.0,0.20415838530601055,0.1304057295593174,0.2738331848399698,0.1715184017545062,0.19497892536495098
EOS-3-38113,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2)nn1C,YBQHLUPBKVNRGV-UHFFFAOYSA-N,3,1,0.526,20,846,412.457,2.912,5,0.423,0.75,1.0,0.4819837571105476,0.34391919676512916,0.18545678843122473,0.12733020355013364,0.2846724864642588
EOS-3-38114,COc1cccc(NCc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)c1,LZCKMWLPIFTMHI-UHFFFAOYSA-N,3,1,0.374,14,18,409.453,3.869,5,0.455,0.88,1.0,0.12659344801590022,0.03188609416763759,0.5863888698512781,0.45173394558289354,0.29915058940442735
EOS-3-38115,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccn5)s4)n23)cn1,VIYLZPBBXNXRNZ-UHFFFAOYSA-N,3,1,0.299,70,968,438.48,3.167,6,0.412,0.55,1.0,0.05139298197519018,0.08864197107806182,0.06307826742512508,0.07799328353094373,0.0702766260023302
EOS-3-38116,COc1cc(-c2nnc3cncc(-c4cnn(C(F)F)c4)n23)ccc1-c1cccnc1,RRDAUWMIRKNRFO-UHFFFAOYSA-N,3,1,0.337,82,478,419.395,4.121,5,0.426,0.69,1.0,0.2205640463299294,0.30967719827290796,0.862158179699815,0.7666112672195189,0.5397526728805428
EOS-3-38117,Fc1cc(F)c(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccncc5)n34)nn2)cn1,XHAKUYLBOGERRI-UHFFFAOYSA-N,3,1,0.276,39,953,455.392,2.564,6,0.369,0.56,0.974,0.016362826399835516,0.11994551435816599,0.2849787540264547,0.37279830032211636,0.19852134877664313
EOS-3-38118,CC(C)n1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nc1,HUGUQAWLFXJTPY-UHFFFAOYSA-N,3,1,0.309,70,392,459.517,4.755,6,0.367,0.72,0.988,0.07503769446919334,0.0677558083750257,0.3961089027482695,0.31215303954492496,0.21276386128435337
EOS-3-38119,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)[nH]n2)cc1,RDZNNHJDUSYXEB-UHFFFAOYSA-N,3,1,0.473,11,963,452.305,4.505,5,0.408,0.65,1.0,0.620536632170516,0.6312024535672675,0.67500514015489,0.7948564183400727,0.6804001610581866
EOS-3-38120,CCn1cc(-c2cccc(-c3nnc4cncc(Cc5cnc(Cl)nc5)n34)c2)c(C)n1,XNXKKSBFISSJNL-UHFFFAOYSA-N,3,1,0.329,85,81,430.903,4.017,5,0.391,0.65,1.0,0.17886882324720718,0.16020149407168802,0.30665307381262424,0.29336577342197245,0.23477229113837297
EOS-3-38121,Fc1cncc(-c2nnc3cncc(OCc4cc(C(F)(F)F)nc(-c5ncccn5)n4)n23)c1,IPYNLLHJRCDUJZ-UHFFFAOYSA-N,3,1,0.494,27,242,469.362,3.17,5,0.358,0.64,0.997,0.6831694195051744,0.7847560139812213,0.7300561990267973,0.5984339661435131,0.6991038996641766
EOS-3-38122,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnncc5Cl)n34)c(F)c2)s1,XQHBEZKSBIDMPS-UHFFFAOYSA-N,3,1,0.576,37,832,468.905,3.822,5,0.37,0.67,1.0,0.7556370365293674,0.8757453224590501,0.3586286066753478,0.42642724967445683,0.6041095538345556
EOS-3-38123,Cc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)n1,FINAYFMHHWDROA-UHFFFAOYSA-N,3,1,0.467,27,69,464.411,4.002,5,0.371,0.66,0.991,0.734656637653348,0.8055650743609074,0.6937410047289425,0.5955040778562127,0.7073666986498527
EOS-3-38124,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3cccnc3C#N)n12,TWSOHVXBACHKLK-UHFFFAOYSA-N,3,1,0.457,31,456,453.466,2.484,5,0.365,0.6,0.999,0.527671167157837,0.2688129668974025,0.19546295661709273,0.11138715646631485,0.2758335617846618
EOS-3-38125,Fc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)ccn1,HTPZQFCOWMDJGW-UHFFFAOYSA-N,3,1,0.5,27,430,449.396,4.299,5,0.357,0.68,1.0,0.8398070728531286,0.8492563909259132,0.9044616544445206,0.842454252621479,0.8589948427112604
EOS-3-38126,c1ccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)cn2)cc1,LOILFGRBJNVCAO-UHFFFAOYSA-N,3,1,0.333,30,220,428.459,4.372,6,0.411,0.61,0.97,0.09550407785621273,0.14125145637721884,0.3698084435610993,0.47938797889109724,0.27148798917140704
EOS-3-38127,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnn(C(F)F)c5Cl)n4)n23)cn1,HTDAQIOZMAVZSN-UHFFFAOYSA-N,3,1,0.473,27,69,469.843,3.776,5,0.369,0.7,1.0,0.5223768076211364,0.6509063806456035,0.47148927421012954,0.420130559934206,0.5162257556027688
EOS-3-38128,Cc1ncc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5F)cnn4)n23)s1,IBSVEGBRLMXNIX-UHFFFAOYSA-N,3,1,0.505,19,207,451.462,3.913,5,0.387,0.65,1.0,0.6123038174216983,0.5842300047974779,0.4644301281611953,0.5180847782879857,0.5447621821670893
EOS-3-38129,Cc1cc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)ncc1F,HCPJAULBQBOKNC-UHFFFAOYSA-N,3,1,0.412,18,873,446.421,3.246,5,0.392,0.56,0.994,0.6772582413816737,0.5227880200123364,0.5738554588444932,0.5578267425125077,0.5829321156877527
EOS-3-38130,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)cn4)n23)n(C)n1,XGNTZKFIVQEPNZ-UHFFFAOYSA-N,3,1,0.409,53,662,419.474,2.634,5,0.428,0.64,1.0,0.1758789664861901,0.13752484408196833,0.02530669590843671,0.011710986224384894,0.08760537317524501
EOS-3-38131,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)cc4)n23)c1F,QFQQWYAXPCHUNE-UHFFFAOYSA-N,3,1,0.535,15,320,429.459,3.656,5,0.41,0.58,1.0,0.8419316702076622,0.6558237954903707,0.6023661846343636,0.49157871290521554,0.647925090809403
EOS-3-38132,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5C)n34)nc2)no1,QKUWVRMHMDRBIS-UHFFFAOYSA-N,3,1,0.329,85,290,433.422,4.382,5,0.406,0.62,0.998,0.32434377355904326,0.2996110616133233,0.5959152902474127,0.4704869440065794,0.42258926735658964
EOS-3-38133,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cnc1Cl,HUESOGNLJFLPBE-UHFFFAOYSA-N,3,1,0.444,87,954,467.32,3.91,5,0.35,0.67,1.0,0.6233294496607498,0.6458347611541361,0.5025615105201837,0.5609879377698581,0.583178414776232
EOS-3-38134,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)s1,WCFFNZDZNMALFY-UHFFFAOYSA-N,3,1,0.614,72,628,415.482,3.635,5,0.418,0.73,1.0,0.612312384346515,0.522796586937153,0.1262764717976835,0.12069940374203277,0.34552121170584604
EOS-3-38135,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cnoc5)cc4)n23)cc1,HRAUUKPLASRRTD-UHFFFAOYSA-N,3,1,0.284,30,498,418.42,3.965,6,0.423,0.68,1.0,0.06923788636830923,0.03189466109245425,0.369817010485916,0.47355390309094647,0.2361258652594065
EOS-3-38136,CCc1nc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cncn1CC,PMBDMRJJISLIBQ-UHFFFAOYSA-N,3,1,0.426,31,690,432.513,3.668,5,0.387,0.63,0.899,0.19574566513604277,0.11662154752929889,0.06503152628332534,0.043888355835789185,0.10532177369611406
EOS-3-38137,Cn1cc(-c2nnc3cncc(OCCc4ccsc4)n23)cc(-c2ccc(F)c(F)c2)c1=O,QXEYXPQXATYIQE-UHFFFAOYSA-N,3,1,0.534,35,619,465.485,4.118,5,0.377,0.69,1.0,0.45552052635186074,0.3147488177643753,0.7824515112055377,0.7788362689329038,0.5828892810636694
EOS-3-38138,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4cc(-c5ccccc5F)nn4C)n23)nc1,YHAPBOHSWZAAMG-UHFFFAOYSA-N,3,1,0.343,6,318,467.468,3.919,6,0.379,0.69,1.0,0.41371393324652184,0.4727828798574464,0.37780995133986706,0.3436279213213625,0.40198367144129943
EOS-3-38139,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cn(C)nc5F)n34)cnn2)c1,RCPSKGJKAXAVLY-UHFFFAOYSA-N,3,1,0.447,92,778,431.435,2.446,5,0.403,0.59,1.0,0.40273970255637037,0.3913628263998355,0.19202761976560895,0.16612123912000548,0.2880628469604551
EOS-3-38140,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc(Cl)n2)cn1,XOXJWUJTTZDOIM-UHFFFAOYSA-N,3,1,0.456,55,525,469.267,4.063,5,0.355,0.68,1.0,0.6178894524021658,0.7591066410801178,0.7067712973750943,0.7589096018093345,0.7106692481666781
EOS-3-38141,Cn1nc(-c2cc(Cl)cc(Cl)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,PKRWIQKSJWKIPM-UHFFFAOYSA-N,3,1,0.441,22,316,456.724,5.214,5,0.372,0.79,1.0,0.19859845109999313,0.47728908231101363,0.6856024261531081,0.8839181687341512,0.5613520320745665
EOS-3-38142,Cc1nc(C#N)ncc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)nn1C,WVCLTIPBKRKLBT-UHFFFAOYSA-N,3,1,0.327,31,694,444.846,3.003,5,0.383,0.63,1.0,0.3692344595983826,0.4057895277911041,0.22329689534644645,0.2311870331025975,0.3073769789596327
EOS-3-38143,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1F,MORKZMMNWAVVKW-UHFFFAOYSA-N,3,1,0.425,2,564,422.42,4.167,5,0.423,0.64,1.0,0.7288054280035638,0.602923034747447,0.8075697347680076,0.7970838187924063,0.7340955040778563
EOS-3-38144,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccc6F)nc5)n34)nc2)n1,OKDXSGVZHNJHJB-UHFFFAOYSA-N,3,1,0.346,32,572,466.455,4.594,6,0.378,0.68,0.999,0.1819272154067576,0.33373312315811116,0.7949335206634227,0.7925604824892056,0.5257885854293742
EOS-3-38145,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4)n23)c(F)c1,GLZBPGABNSKPLK-UHFFFAOYSA-N,3,1,0.373,3,192,466.455,4.594,6,0.378,0.68,1.0,0.23716674662463164,0.35839729970529777,0.7143787266122953,0.7715115482146528,0.5203635802892195
EOS-3-38146,Cc1nocc1-c1cnc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,CROMFNLCPKLTSK-UHFFFAOYSA-N,3,1,0.438,7,62,420.82,3.172,5,0.422,0.65,1.0,0.5143924336920019,0.4772976492358303,0.28498732095127133,0.30600198752655744,0.39566984785141524
EOS-3-38147,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(F)n1,KTCPIRZUTBSHJA-UHFFFAOYSA-N,3,1,0.495,65,262,434.41,2.882,5,0.379,0.57,1.0,0.7701494071688026,0.6312110204920841,0.4322955931738743,0.4038791035569872,0.5593837810979371
EOS-3-38148,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4cncn4C)c(C)n3)n12,RNSDZVPZQJWCMD-UHFFFAOYSA-N,3,1,0.427,31,460,429.488,2.559,5,0.409,0.59,0.893,0.23431396066068125,0.10765197724624768,0.06707902131450895,0.033556644506887806,0.11065040093208142
EOS-3-38149,Cc1nnc(-c2cnc(F)c(-c3nnc4cncc(OCCc5cnccn5)n34)c2)s1,LCJCIXABIMVQAR-UHFFFAOYSA-N,3,1,0.444,20,658,435.448,2.564,5,0.371,0.63,0.999,0.5019446919333836,0.5272770886162703,0.06504009320814201,0.0685525323829758,0.290703601535193
EOS-3-38150,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cc(F)ccn4)n23)c(F)c1,KHKZCNJDVSZFDR-UHFFFAOYSA-N,3,1,0.287,39,972,468.431,3.384,6,0.387,0.6,0.981,0.1541960797752039,0.22805153861969707,0.36982557741073263,0.4485556164759098,0.30015720307038585
EOS-3-38151,Fc1cnc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)cn5)n34)cc2)cn1,SAJKKWZXGWGVLN-UHFFFAOYSA-N,3,1,0.375,85,674,418.823,3.422,5,0.441,0.59,1.0,0.38991501610581863,0.4906620519498321,0.55046775409499,0.6106846686313481,0.5104323726954972
EOS-3-38152,OCc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5F)ncn4)n23)nc1,OQRZUJFQFLZRRX-UHFFFAOYSA-N,3,1,0.4,46,354,448.393,2.388,5,0.39,0.6,1.0,0.6038910972517305,0.5409241998492221,0.5831505722705778,0.5011736686998834,0.5572848845178535
EOS-3-38153,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccnn5)cn4)n23)c(F)c1,FMYRGYHMYBNYNC-UHFFFAOYSA-N,3,1,0.512,4,677,414.404,3.065,5,0.432,0.72,1.0,0.6739514084024398,0.767870605167569,0.4540898499074772,0.42013912685902266,0.5790127475841271
EOS-3-38154,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4F)n23)n1,RQCSXBNRZPJQET-UHFFFAOYSA-N,3,1,0.489,24,702,442.389,3.372,5,0.381,0.61,1.0,0.7288139949283805,0.8131810705229251,0.6527996710300871,0.6341237749297512,0.707229627852786
EOS-3-38155,Cc1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccncc5Cl)c4)n23)cn1,IOJVGPUUBUXHLT-UHFFFAOYSA-N,3,1,0.365,85,290,413.872,4.196,5,0.439,0.74,1.0,0.3390703173188952,0.3584058666301145,0.6441984785141526,0.6657871290521554,0.5018654478788295
EOS-3-38156,Cc1cccc(-c2nccnc2-c2nnc3cncc(Oc4ccc(-c5nccn5C)cn4)n23)c1,TVMXPXCLBUTSOF-UHFFFAOYSA-N,3,1,0.303,64,318,461.489,4.145,6,0.377,0.66,1.0,0.4341888835583579,0.1767356589678569,0.23769789596326502,0.20184531560551025,0.2626169385237475
EOS-3-38157,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cccnc4-c4ccccc4F)n23)c1,OVSGIUNGRGZMDO-UHFFFAOYSA-N,3,1,0.322,30,498,464.439,4.651,6,0.375,0.66,0.988,0.17051607155095608,0.2946765129189226,0.6500239873894866,0.7788448358577205,0.47351535192927147
EOS-3-38158,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)nc4)n23)c(F)c1,UNICTGGRMCMWLK-UHFFFAOYSA-N,3,1,0.295,98,866,468.46,2.461,6,0.374,0.6,1.0,0.23989102871633197,0.27379891714070315,0.059086080460557876,0.0780018504557604,0.16269446919333833
EOS-3-38159,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1conc1C,TYZMXLXCBBJYGY-UHFFFAOYSA-N,3,1,0.454,87,657,464.873,3.223,5,0.354,0.65,1.0,0.4555290932766774,0.45070591460489345,0.16597560139812212,0.12733877047495032,0.2998873449386608
EOS-3-38160,CCc1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1ccc(C)nn1,HZVYNQJBEZGTLB-UHFFFAOYSA-N,3,1,0.392,31,690,459.901,3.537,5,0.375,0.61,0.353,0.3984733739976698,0.477306216160647,0.12926632855870057,0.12306387499143308,0.2820274484271126
EOS-3-38161,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ccn2)o1,PBZSTFWZMFXHEJ-UHFFFAOYSA-N,3,1,0.675,84,360,450.861,4.564,5,0.374,0.68,1.0,0.9022256870673703,0.784764580906038,0.7615396477280515,0.7356932355561647,0.7960557878144061
EOS-3-38162,Cc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)nn1,SNAQWAGQKGMQKL-UHFFFAOYSA-N,3,1,0.315,69,695,441.498,5.286,6,0.37,0.79,1.0,0.11320334452744843,0.11366595846754848,0.655583921595504,0.6486875471180865,0.38278519292714686
EOS-3-38163,Cc1cc(-c2c(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)cnn2CC(F)F)ccn1,RKJJLBGZBFKVIQ-UHFFFAOYSA-N,3,1,0.298,50,243,452.856,4.339,5,0.394,0.64,1.0,0.19303851689397575,0.30458844493180726,0.6380816941950518,0.6835206634226578,0.45480732986087313
EOS-3-38164,COC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5nnn(C)n5)c4)n23)cn1,IGTCNRVFFATXLX-UHFFFAOYSA-N,3,1,0.329,50,974,414.389,1.225,5,0.394,0.72,1.0,0.10556164759098075,0.07837879514769379,0.030780960866287437,0.013621410458501817,0.05708570351586595
EOS-3-38165,Fc1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)cc1F,JHBJPZMGMPPQCZ-UHFFFAOYSA-N,3,1,0.43,45,730,471.349,4.329,5,0.353,0.74,0.846,0.7009971900486601,0.8836354602152011,0.9685850866972792,0.9730227537523131,0.8815601226783634
EOS-3-38166,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cc1,CPJALYZHKHTDNL-UHFFFAOYSA-N,3,1,0.373,93,107,445.461,5.116,6,0.375,0.75,1.0,0.29360564731683914,0.4377869919813584,0.730064765951614,0.8185868000822425,0.5700110513330134
EOS-3-38167,Cc1ncc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6ccon6)cc5)n34)c(F)c2)o1,SASBZHMGBISWGO-UHFFFAOYSA-N,3,1,0.391,41,592,455.409,4.736,6,0.363,0.73,1.0,0.7288225618531972,0.6263364402714002,0.5959238571722295,0.4856589678568981,0.6091854567884313
EOS-3-38168,N#CCCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)c(F)n1,GEOFHXGSPCPDMY-UHFFFAOYSA-N,3,1,0.485,90,636,450.409,2.124,4,0.319,0.64,0.999,0.5429288602563224,0.3628435336851484,0.1854653553560414,0.17981118497704063,0.3177622335686382
EOS-3-38169,Cc1cc(-c2nnc3cncc(OCc4nccc(-c5nccs5)n4)n23)ccc1Cl,SKEUUMWGQAMPEN-UHFFFAOYSA-N,3,1,0.483,24,335,435.9,4.246,5,0.407,0.67,1.0,0.7195959838256459,0.8389932149955452,0.32517476526626005,0.36943149886916593,0.5632988657391542
EOS-3-38170,CCc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nccn1C,ZLFHCRQQMSPBEU-UHFFFAOYSA-N,3,1,0.433,65,904,444.474,3.305,5,0.38,0.58,0.999,0.5667620450962922,0.4683794805016791,0.19885545884449318,0.17152696867932288,0.3513809882804468
EOS-3-38171,CCn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)ncn1,OBHSZLXZDHHQNE-UHFFFAOYSA-N,3,1,0.484,27,185,468.403,2.852,5,0.37,0.61,1.0,0.4530875197039271,0.5316633541224042,0.4714978411349462,0.31826982386402575,0.4436296347063258
EOS-3-38172,COc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1nccn1C,DGTNDXOCSKKMNW-UHFFFAOYSA-N,3,1,0.557,15,729,461.913,3.87,5,0.34,0.68,1.0,0.6376190802549517,0.5180333767390858,0.5234733739976698,0.42325748749228975,0.5255958296209993
EOS-3-38173,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5F)cn4)n23)cc1F,MOGGIODNCBSUMO-UHFFFAOYSA-N,3,1,0.281,64,144,470.418,4.518,6,0.377,0.69,0.959,0.09312247275717908,0.19849564800219313,0.8174045644575423,0.869714207388116,0.4946842231512576
EOS-3-38174,COc1nc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1ncc(Cl)cn1,FJEHELQHHOZMHU-UHFFFAOYSA-N,3,1,0.575,49,896,477.887,4.066,5,0.346,0.75,1.0,0.8866938523747515,0.7678791720923858,0.46443869508601193,0.4580563360975944,0.6442670139126858
EOS-3-38175,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)ccc1-c1ncon1,HKDWFTZTKKFOOU-UHFFFAOYSA-N,3,1,0.5,80,584,456.401,2.74,6,0.397,0.59,1.0,0.7163662531697622,0.6362826399835515,0.33611472825714483,0.30916318278390786,0.49948170104859163
EOS-3-38176,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)s4)n23)cn1,NVGICORMTNCOEW-UHFFFAOYSA-N,3,1,0.483,7,85,441.879,4.02,5,0.409,0.6,0.999,0.6376276471797684,0.6800681927215406,0.5060225481461175,0.5046775409499006,0.5820989822493318
EOS-3-38177,Cc1coc(-c2cc(F)c(-c3nnc4cncc(OCCc5cnc(C)nc5)n34)cn2)n1,QRMXPNLKCLPIIT-UHFFFAOYSA-N,3,1,0.494,65,981,432.419,3.009,5,0.399,0.58,0.939,0.7226201082859297,0.5090124049071345,0.17574189568912343,0.12734733739976697,0.38368043657048867
EOS-3-38178,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)nc4)n23)ccc1-c1nccn1C,ZQOYXRIUMRBSHA-UHFFFAOYSA-N,3,1,0.343,31,717,432.875,3.99,5,0.387,0.66,0.998,0.4413165650058255,0.45535775478034407,0.21297375094236173,0.2283685148379138,0.33450414639161125
EOS-3-38179,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccc2F)cn1,QQNRKYVBIJQOMW-UHFFFAOYSA-N,3,1,0.529,97,31,450.836,4.759,5,0.359,0.74,1.0,0.8812024535672675,0.9271383044342403,0.9254763210198067,0.932509766294291,0.9165817113289013
EOS-3-38180,Cn1ccc(-c2cc(Cc3cncc4nnc(-c5ccc(Cl)c(C(F)(F)F)c5)n34)ccn2)n1,NQAPPSDJEZLEJQ-UHFFFAOYSA-N,3,1,0.362,14,81,469.858,4.85,5,0.376,0.77,1.0,0.33907888424371185,0.5364094304708382,0.9733911315194298,0.9502090329655267,0.6997721197998766
EOS-3-38181,Cc1ncc(COc2cncc3nnc(-c4cc(C#N)nc(-c5cncs5)c4)n23)s1,YMIAQTDLMUUSGH-UHFFFAOYSA-N,3,1,0.561,7,43,432.494,3.525,5,0.414,0.64,1.0,0.522385374545953,0.43779555890617505,0.20227366184634363,0.16881125351243917,0.3328164622027277
EOS-3-38182,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)nc1,WDYDNIJPWUNMDW-UHFFFAOYSA-N,3,1,0.311,64,114,435.476,3.829,6,0.411,0.57,0.91,0.0672246590363923,0.12717599890343362,0.15971317935713797,0.204946542389144,0.13976509492152697
EOS-3-38183,COCc1ncc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nn4)n23)cc1F,QFESNQFWTSFTFQ-UHFFFAOYSA-N,3,1,0.461,68,127,436.329,2.255,4,0.42,0.53,1.0,0.6123209512713317,0.7093242409704612,0.6288979507915838,0.4388749914330752,0.5973545336166131
EOS-3-38184,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,XAGHYKLGFDXHTH-UHFFFAOYSA-N,3,1,0.456,18,87,465.304,3.967,5,0.347,0.66,1.0,0.6951888150229594,0.7047238023439106,0.6174097046124323,0.697570420121993,0.6787231855253238
EOS-3-38185,Cc1nc(-c2nccc(-c3cncc4nnc(-c5ccc(OC(F)F)cn5)n34)n2)n(C)n1,HCKACCCBHNHRTO-UHFFFAOYSA-N,3,1,0.295,50,542,436.386,2.349,5,0.408,0.54,0.782,0.28794291001302175,0.2688215338222192,0.13211054759783428,0.14048043314371872,0.20733885614419847
EOS-3-38186,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(OC)cn5)n4)n23)cc1,NATQAEXWMJYVBQ-UHFFFAOYSA-N,3,1,0.469,89,731,486.467,2.73,5,0.369,0.81,1.0,0.6585223768076212,0.4553663217051607,0.284995887876088,0.1428877390172024,0.385443081351518
EOS-3-38187,Fc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)no4)n23)ccc1Cl,FMJHJUWEZUXFQT-UHFFFAOYSA-N,3,1,0.554,59,389,458.24,4.261,5,0.385,0.68,1.0,0.9315417037900076,0.9378383935302583,0.732771914193681,0.8123929134397917,0.8536362312384347
EOS-3-38188,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)cc4F)n23)ccn1,GJDFTLHATNSFDR-UHFFFAOYSA-N,3,1,0.506,57,962,433.393,4.85,5,0.371,0.76,1.0,0.9369731341237749,0.9522051264478103,0.9656723322596121,0.9659807415530122,0.9552078335960523
EOS-3-38189,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cc1)N1CCC(F)(F)C1,NCEGHKRYUITZDI-UHFFFAOYSA-N,3,1,0.344,52,376,483.482,4.397,6,0.377,0.84,0.999,0.12386059899938318,0.0977229113837297,0.3434051812761291,0.5046861078747172,0.26741869988348976
EOS-3-38190,Cc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccc2F)nn1,PXOHASKMTALNKU-UHFFFAOYSA-N,3,1,0.535,4,391,466.839,3.857,5,0.384,0.62,1.0,0.7644609690905353,0.9421218559385923,0.5602083476115414,0.6311510520183675,0.7244855561647592
EOS-3-38191,CCOc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,UEVFHPGCEJJSIU-UHFFFAOYSA-N,3,1,0.295,25,213,476.504,3.505,6,0.355,0.73,1.0,0.0692464532931259,0.048754369131656504,0.23431396066068125,0.21398464807072853,0.14157485778904805
EOS-3-38192,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1-c1cncnc1,SRIQSNIWOIHDMP-UHFFFAOYSA-N,3,1,0.439,40,59,477.463,3.818,6,0.353,0.71,1.0,0.8093173874306079,0.7276831608525803,0.42499657323007334,0.41373963402097186,0.5939341888835583
EOS-3-38193,Cn1cncc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(C(=O)NCC#N)cc4)n23)c1,NLVCGYAZHQMOLV-UHFFFAOYSA-N,3,1,0.469,89,637,482.479,3.163,5,0.354,0.78,1.0,0.615070934137482,0.35841443355493113,0.6937495716537592,0.5478462751010897,0.5537703036118156
EOS-3-38194,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)cn5)ccc4F)n23)cc1,DIOSFUNESPKCES-UHFFFAOYSA-N,3,1,0.556,43,230,414.444,4.218,5,0.431,0.78,1.0,0.8554845452676307,0.69976355287506,0.8190665478719759,0.7433606332670825,0.7794188198204373
EOS-3-38195,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cc1,NBFFISIAEPJTJM-UHFFFAOYSA-N,3,1,0.577,43,293,452.852,4.702,5,0.361,0.7,1.0,0.9464224521965595,0.8757538893838668,0.9218867795216229,0.9127887053663217,0.9142129566170928
EOS-3-38196,CCn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)o1,PCTUKJRJVOORLP-UHFFFAOYSA-N,3,1,0.286,76,114,436.439,3.182,6,0.4,0.57,0.735,0.03132067712973751,0.015000685353985334,0.036023918854088136,0.049396888492906584,0.03293554245767939
EOS-3-38197,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ccn2)cn1,FAWWPQOTTVTRPJ-UHFFFAOYSA-N,3,1,0.419,92,441,443.471,2.411,5,0.373,0.6,1.0,0.2343225275854979,0.11367452539236515,0.09911932012884656,0.045267630731272705,0.12309600095949558
EOS-3-38198,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cnc1Cl,HTPVQFLNWULKSS-UHFFFAOYSA-N,3,1,0.488,24,283,439.863,4.076,5,0.381,0.66,1.0,0.7758721129463367,0.7720341306284696,0.6585652114317044,0.6600130217257213,0.716621119183058
EOS-3-38199,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)nc1F,HXAVXYUKMIQEIC-UHFFFAOYSA-N,3,1,0.381,13,971,437.385,4.279,5,0.382,0.66,1.0,0.5667706120211089,0.6029316016722637,0.7949420875882394,0.7762233568638202,0.685216914536358
EOS-3-38200,Cc1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cn4)n23)nc1C1CC1,YYDWARRDLSUQHP-UHFFFAOYSA-N,3,1,0.321,82,523,423.455,4.635,6,0.419,0.72,0.991,0.22612398053594682,0.36285210060996503,0.20594030566787747,0.40388767048180385,0.2997010143238983
EOS-3-38201,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)nc1,WZYKQAVETYPYDP-UHFFFAOYSA-N,3,1,0.433,63,505,404.861,3.323,5,0.551,0.9,0.999,0.15420464670002057,0.18935473922280857,0.22702350764169693,0.40099204989377013,0.24289373586457405
EOS-3-38202,Cc1cc(-c2cnc(F)c(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)c(C)nn1,PLEGBOLVRUKGAT-UHFFFAOYSA-N,3,1,0.378,46,128,462.876,4.027,5,0.361,0.64,1.0,0.7556456034541841,0.6898430539373587,0.5504763210198067,0.5212888081694195,0.6293134466451922
EOS-3-38203,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(C)o6)cn5)n34)cn2)nn1,AQSXBNNBEGLONN-UHFFFAOYSA-N,3,1,0.321,70,392,447.462,3.977,6,0.395,0.58,1.0,0.13494619971215133,0.11995408128298266,0.2163319854704955,0.17412274689877322,0.16133875334110065
EOS-3-38204,Fc1cncc(F)c1COc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,MPVFKAMEWWZQID-UHFFFAOYSA-N,3,1,0.519,24,199,423.408,3.562,5,0.427,0.64,1.0,0.7226286752107464,0.6126807621136316,0.5831591391953944,0.5706599958878761,0.6222821431019122
EOS-3-38205,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cn(-c4cccnn4)nc3OC)n12,CIJLDRFKRYTMGM-UHFFFAOYSA-N,3,1,0.3,52,295,483.492,2.343,6,0.37,0.76,0.84,0.05292646151737372,0.06414913302720855,0.047846275101089714,0.03135494482900418,0.04906920361866904
EOS-3-38206,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)c1,IBFBOKSBOWQCPB-UHFFFAOYSA-N,3,1,0.473,26,795,468.855,3.535,5,0.352,0.65,1.0,0.6649133027208554,0.6079261188403811,0.5769995202522102,0.6138372969638819,0.6159190596943321
EOS-3-38207,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cncc(-c4ccccc4)c3)n12,SUWVHUYLQNSZDR-UHFFFAOYSA-N,3,1,0.548,35,884,446.873,4.662,5,0.377,0.67,1.0,0.8812110204920841,0.8889983551504352,0.8353694057980947,0.8663816736344322,0.8679901137687616
EOS-3-38208,Fc1cccc(OCc2cncc3nnc(-c4cccc(-c5ccnc(F)c5)c4)n23)c1,YRBLECLPHHEJDW-UHFFFAOYSA-N,3,1,0.418,57,18,415.403,4.711,5,0.389,0.86,1.0,0.48939414707696527,0.684857103694058,0.9279350284421904,0.9287403193749572,0.7577316496470426
EOS-3-38209,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6F)nn5)n34)cc2)cnc1F,PDNDLGCVZZDSIC-UHFFFAOYSA-N,3,1,0.302,10,620,468.431,3.478,6,0.362,0.62,1.0,0.007024878349667603,0.14862757864436982,0.41750908094030564,0.4296141457062573,0.2506939209101501
EOS-3-38210,COc1ncccc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,MYFVKOAPPKANSH-UHFFFAOYSA-N,3,1,0.49,35,657,459.897,3.927,5,0.337,0.71,1.0,0.7042012199300939,0.7139932149955452,0.5539887601946405,0.4764323898293469,0.6121538962374067
EOS-3-38211,Clc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)ccn2)cn1,CSFKNSYDLDFFMQ-UHFFFAOYSA-N,3,1,0.547,75,496,465.304,3.967,5,0.347,0.68,1.0,0.8118617641011583,0.8131896374477418,0.6112843533685148,0.660021588650538,0.7240893358919882
EOS-3-38212,COc1cnc(COc2cncc3nnc(-c4ccc(-c5cc(C#N)ccn5)nc4C)n23)cn1,RBBWBGAXSOVJDX-UHFFFAOYSA-N,3,1,0.412,7,99,451.45,2.806,5,0.379,0.59,1.0,0.46954458227674595,0.40579809471592077,0.2850044548009047,0.17676992666712357,0.33427926461517377
EOS-3-38213,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cc(-c4ccsc4)ccn3)n12,PIPKXFZFJFMTED-UHFFFAOYSA-N,3,1,0.404,2,564,438.875,4.681,5,0.396,0.67,1.0,0.6831779864299911,0.5842385717222945,0.8097714344458913,0.834589815639778,0.7279444520594887
EOS-3-38214,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cn2)n[nH]1,YZMHNCVIFZOAQY-UHFFFAOYSA-N,3,1,0.289,70,392,436.504,4.675,6,0.431,0.66,0.996,0.13768761565348503,0.16420224796107188,0.42500514015489,0.42326605441710646,0.28754026454663834
EOS-3-38215,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cnc(Cc5ccc(Cl)cn5)[nH]4)n23)c1,HUEIIFKMADNPHO-UHFFFAOYSA-N,3,1,0.273,98,866,469.9,3.011,6,0.408,0.61,1.0,0.06723322596120897,0.14863614556918647,0.16284867384003837,0.2577445000342677,0.15911563635117537
EOS-3-38216,Clc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,RFURIVLQROQMAA-UHFFFAOYSA-N,3,1,0.309,30,498,464.88,3.816,6,0.383,0.6,1.0,0.17315468439448975,0.2533068329792338,0.3698341443355493,0.5315519840997875,0.33196191145226506
EOS-3-38217,Cc1nc(CCOc2cncc3nnc(-c4ccc(C(=O)N5CCC(F)(F)C5)cc4)n23)ccc1F,LIGIZAGGQRWVAW-UHFFFAOYSA-N,3,1,0.588,0,345,482.466,3.737,5,0.416,0.73,0.999,0.402748269481187,0.30459701185662397,0.25224453430196697,0.3596395038037146,0.32980732986087313
EOS-3-38218,CC(O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncs5)ccc4F)n23)cn1,GTMFSBUFNILFSU-UHFFFAOYSA-N,3,1,0.468,72,909,449.471,3.476,5,0.419,0.61,0.997,0.764469536015352,0.7371496127749982,0.6500325543143033,0.5245528065245699,0.6690511274073059
EOS-3-38219,Fc1ccc(-c2occc2-c2nnc3cncc(-c4cccc(-n5cccn5)n4)n23)nc1,ICAYFPPZMDYJTO-UHFFFAOYSA-N,3,1,0.279,76,935,424.399,3.833,6,0.424,0.61,1.0,0.039484956480021934,0.11663011445411554,0.4069803303406209,0.44218182441230897,0.25131930642176686
EOS-3-38220,COc1nc(-c2[nH]c(C)nc2C)ccc1-c1nnc2cncc(OCc3cnc(Cl)cn3)n12,XRPWDYDHCUNETG-UHFFFAOYSA-N,3,1,0.417,7,94,463.889,3.224,5,0.403,0.61,0.969,0.41146939894455486,0.415255979713522,0.12364642587896649,0.07627989856761017,0.25666292577616334
EOS-3-38221,N#Cc1nc(-c2ccc(C(F)F)nc2)cc(-c2nnc3cncc(OCc4cccs4)n23)n1,NNLIUAZVIKDFSW-UHFFFAOYSA-N,3,1,0.495,27,238,462.445,4.093,5,0.371,0.67,0.97,0.6406003700911521,0.6263450071962169,0.634826262764718,0.5511102734562402,0.6132204783770818
EOS-3-38222,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ccc(C#N)cc5)cn4)n23)ccc1Cl,BUZMYKBUSIDYSR-UHFFFAOYSA-N,3,1,0.522,89,230,453.893,4.661,5,0.381,0.7,1.0,0.9085052429579878,0.940734014118292,0.8449129600438626,0.8386077033787952,0.8831899801247345
EOS-3-38223,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)n(C)n1,ZAARKYVPRTXPLE-UHFFFAOYSA-N,3,1,0.44,92,36,433.863,2.918,5,0.416,0.57,1.0,0.33908745116852856,0.4058066616407374,0.2522531012267836,0.22235453361661298,0.30487543691316565
EOS-3-38224,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc(C)n2)cn1,VVDQDZCZAXYEFP-UHFFFAOYSA-N,3,1,0.458,31,602,459.901,3.325,5,0.376,0.59,1.0,0.5325885820026044,0.5939106298403125,0.15641491330272086,0.1503152628332534,0.3583073469947228
EOS-3-38225,Cc1nc(-c2cccnc2)c(-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)n1C,OXUMIIHYVQQNNL-UHFFFAOYSA-N,3,1,0.32,42,983,445.49,4.019,6,0.404,0.61,1.0,0.09313103968199575,0.08200260434514427,0.2522616681516003,0.2608114591186348,0.17205169282434377
EOS-3-38227,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c(Cl)cn2)c1,DTVWOKZBIYOPKM-UHFFFAOYSA-N,3,1,0.639,84,276,466.332,4.515,5,0.366,0.7,1.0,0.7816462202727709,0.8092145843328079,0.672015283393873,0.7408676581454321,0.7509359365362209
EOS-3-38228,Fc1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1ncc(Cl)cn1,JKVODSVPYRGNDQ-UHFFFAOYSA-N,3,1,0.55,73,82,439.863,4.076,5,0.407,0.63,1.0,0.8712905215543828,0.8425484887944623,0.537009115208005,0.6043879788910973,0.7138090261119867
EOS-3-38229,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)c(Cl)c4)n23)sn1,JVKKHIOAQJWKSH-UHFFFAOYSA-N,3,1,0.573,36,610,438.904,3.584,5,0.413,0.59,1.0,0.43419745048317454,0.527285655541087,0.18860941676375848,0.2193732437804126,0.3423664416421081
EOS-3-38230,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cn2)cn1,CZDQYTDYYALXPC-UHFFFAOYSA-N,3,1,0.402,92,860,415.461,2.691,5,0.42,0.71,1.0,0.18747858268795833,0.14864471249400316,0.08725412925776163,0.0415153176615722,0.11622318552532383
EOS-3-38231,Cc1nnc(-c2cnnc(COc3cncc4nnc(-c5ccccc5F)n34)c2)n1C,PEDIMXMTLXFNFZ-UHFFFAOYSA-N,3,1,0.518,36,404,417.408,2.403,5,0.429,0.64,1.0,0.39848194092248646,0.49067061887464875,0.10676958399013091,0.13579432526900143,0.2829291172640669
EOS-3-38232,Cc1ncnc(-c2ncc(Cl)cn2)c1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,JOTXNPYWAIZDEE-UHFFFAOYSA-N,3,1,0.5,73,775,466.292,3.628,5,0.383,0.62,0.888,0.530172709204304,0.5735556164759098,0.1920361866904256,0.30601055445137415,0.4004437667055034
EOS-3-38233,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)n[nH]1,CEXLZKIPQUQSAD-UHFFFAOYSA-N,3,1,0.543,11,595,463.86,3.351,5,0.384,0.66,1.0,0.8645654855732986,0.7632701665410184,0.714387293537112,0.7357018024809814,0.7694811870331025
EOS-3-38234,Cc1cncc(Oc2cncc3nnc(-c4ccc(-c5cnc(C)cn5)cc4F)n23)c1,SPTQVVHGXVBUBB-UHFFFAOYSA-N,3,1,0.422,82,374,413.416,4.192,5,0.436,0.77,1.0,0.8013844150503735,0.7632787334658351,0.6412514563772188,0.5544942087588239,0.6901022034130628
EOS-3-38235,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cn1,GQWTWIVSFCNZQH-UHFFFAOYSA-N,3,1,0.296,64,365,464.88,3.816,6,0.358,0.62,0.322,0.17052463847577273,0.19386094167637585,0.2129823178671784,0.3694400657939826,0.2367019909533274
EOS-3-38236,Cc1c(F)ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)c1F,VPFUIIPGBYSXFS-UHFFFAOYSA-N,3,1,0.419,46,223,449.396,3.948,5,0.375,0.66,0.999,0.8513210198067301,0.7549945171681174,0.7997052977863066,0.7537437461448838,0.7899411452265095
EOS-3-38237,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4cnc(OC)nc4)n23)c(F)c1,VJAOSIQNEQBZLQ-UHFFFAOYSA-N,3,1,0.299,82,478,416.42,3.279,5,0.434,0.68,1.0,0.3807826742512508,0.34860530463984646,0.39979268041943666,0.3121616064697416,0.3603355664450689
EOS-3-38238,Cc1csc(-c2ccnc(COc3cncc4nnc(-c5ccc(C)c(F)c5)n34)c2)n1,MREWSIFRALEBEX-UHFFFAOYSA-N,3,1,0.565,4,92,432.484,4.645,5,0.402,0.72,1.0,0.5954098416832294,0.6749451716811733,0.5738640257693098,0.48566753478171476,0.5824716434788568
EOS-3-38239,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)ncn2)ccn1,WPFQCGJRBLCJCP-UHFFFAOYSA-N,3,1,0.489,44,130,449.396,3.682,5,0.365,0.61,0.999,0.7787420327599205,0.7140017819203619,0.8449215269686793,0.8345983825645946,0.793065931053389
EOS-3-38240,Fc1ccc(F)c(-c2nnc3cncc(OCc4cnnc(-c5ccccn5)c4)n23)c1,PAQDYFHHOCEUAF-UHFFFAOYSA-N,3,1,0.462,34,389,417.379,3.501,5,0.432,0.64,0.997,0.7729079569597698,0.7231598245493798,0.7143958604619286,0.730167569049414,0.735157802755123
EOS-3-38241,CCc1nc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccc1-c1cncn1C,MSCZEKRJWBOFJP-UHFFFAOYSA-N,3,1,0.368,31,662,429.488,2.77,5,0.409,0.58,0.573,0.14015489000068534,0.11996264820779932,0.05719279007607429,0.02479268041943664,0.0855257521759989
EOS-3-38242,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)cc1F,BTNVMDURPLVNIO-UHFFFAOYSA-N,3,1,0.458,26,606,447.449,4.235,5,0.387,0.62,1.0,0.6554468507984373,0.5228051538619697,0.7547803440477007,0.6569974641902543,0.6475074532245905
EOS-3-38243,N#Cc1nc(-c2cnccn2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,GVNXXGFCRXYUTH-UHFFFAOYSA-N,3,1,0.423,18,324,456.857,2.58,5,0.35,0.6,1.0,0.6772668083064903,0.6653759166609554,0.24858645740524982,0.28144061407717086,0.4681674491124666
EOS-3-38244,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)n1,SLFCMWDEDSLVAP-UHFFFAOYSA-N,3,1,0.5,97,22,423.408,3.562,5,0.399,0.73,1.0,0.792757521759989,0.7632873003906517,0.4889058323624152,0.4610633267082448,0.6265034953053252
EOS-3-38245,CCc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cnn(C)c1,CJFMDZXPQVRQLX-UHFFFAOYSA-N,3,1,0.406,92,122,446.902,3.777,5,0.366,0.64,1.0,0.30919745048317454,0.377475841272017,0.2887653347954218,0.2695925570557193,0.3112577959015832
EOS-3-38246,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cnn2)on1,DFAALIDOYXWCER-UHFFFAOYSA-N,3,1,0.467,55,875,422.355,2.797,5,0.394,0.67,1.0,0.6092882598862313,0.5135443081351518,0.5096977588924679,0.45174251250771025,0.5210682098553904
EOS-3-38247,CCc1ccc(COc2cncc3nnc(-c4ccc(-c5nncn5C)nc4CC)n23)nc1,PEDLPJMOVOJHCU-UHFFFAOYSA-N,3,1,0.442,36,690,441.499,3.081,5,0.379,0.6,0.916,0.2963641971078062,0.15649201562607087,0.049739565485573296,0.028639229662120486,0.13280875197039274
EOS-3-38248,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,LJATWPZMPVJDIN-UHFFFAOYSA-N,3,1,0.524,4,31,417.86,3.819,5,0.404,0.69,1.0,0.44829860873140975,0.47731478308546366,0.4989805359468165,0.4977897333972997,0.48059591529024737
EOS-3-38249,CCc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(C)nc5C)n34)ccc2Cl)nc1,UGXRCRJKVDMOIO-UHFFFAOYSA-N,3,1,0.511,16,253,472.94,4.45,5,0.357,0.74,0.976,0.8443132753066959,0.8615413611130148,0.3066616407374409,0.25775306695908434,0.567567336029059
EOS-3-38250,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)cnn4)n23)c1,RGBVSHPZGGYEDZ-UHFFFAOYSA-N,3,1,0.57,19,207,413.416,3.404,5,0.421,0.73,1.0,0.6464858474402029,0.6126893290384483,0.5831677061202111,0.6166643821533823,0.6147518161880612
EOS-3-38251,Fc1ccncc1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,AAYLZGRNOZUHCT-UHFFFAOYSA-N,3,1,0.553,75,496,413.416,3.404,5,0.421,0.73,1.0,0.8398156397779453,0.8055736412857241,0.6083801658556645,0.5893787266122953,0.7107870433829072
EOS-3-38252,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5csc(C)n5)nc4)n23)n1,GGOMRBGLCKYHNV-UHFFFAOYSA-N,3,1,0.462,7,464,416.47,3.296,5,0.43,0.7,1.0,0.36924302652319924,0.3960746350490028,0.10677815091494756,0.06187033102597492,0.23349153587828114
EOS-3-38253,Cc1ccnc(COc2cncc3nnc(-c4cncc(-c5cncnc5F)c4)n23)n1,NPWBCKFFEGPNCG-UHFFFAOYSA-N,3,1,0.396,2,435,415.392,2.46,5,0.399,0.73,1.0,0.6092968268110479,0.5409327667740388,0.2922349393461723,0.239993831814132,0.42061459118634775
EOS-3-38254,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2)cn1C,KLAKJLUBMYAKGL-UHFFFAOYSA-N,3,1,0.395,96,336,417.423,4.5,5,0.43,0.73,0.998,0.2584641217188678,0.3388304434240285,0.7927746556096223,0.6920019189911589,0.5205177849359194
EOS-3-38255,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cnc(C)cn1,APKVPXCNCMSLLW-UHFFFAOYSA-N,3,1,0.462,46,717,458.913,4.142,5,0.349,0.69,0.856,0.4968559385922829,0.4814440408470975,0.2959786854910561,0.2668425741895689,0.3852803097800014
EOS-3-38256,Fc1nc(-c2ccccc2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,VSZBILHMEFDNSK-UHFFFAOYSA-N,3,1,0.482,97,700,432.846,4.62,5,0.377,0.71,1.0,0.9085138098828045,0.8554160098690974,0.792783222534439,0.8305033925022274,0.8468041086971421
EOS-3-38257,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)cc5Cl)n34)c2)n(C)n1,IMASCBJAWLHAJU-UHFFFAOYSA-N,3,1,0.483,16,55,449.877,4.267,5,0.373,0.66,1.0,0.540230278939072,0.5504420533205401,0.7327804811184977,0.6975789870468097,0.6302579501062299
EOS-3-38259,COc1ncc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)cc1-c1cncnc1,MYWMTQRAHRRLAZ-UHFFFAOYSA-N,3,1,0.415,2,435,444.43,3.073,5,0.39,0.59,1.0,0.677275375231307,0.5939191967651292,0.49898910287163317,0.33397299705297784,0.5260391679802617
EOS-3-38260,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nc(Cl)n2)s1,FVQSZKLFJBOBRT-UHFFFAOYSA-N,3,1,0.411,65,658,451.903,3.078,5,0.359,0.63,1.0,0.44830717565622646,0.5046861078747172,0.05720135700089096,0.06681344664519225,0.2692520217942567
EOS-3-38261,Cc1nc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1ccncc1,KZFOVNYKIFJYAJ-UHFFFAOYSA-N,3,1,0.398,46,160,447.861,4.323,5,0.37,0.66,1.0,0.7405678157768487,0.694709067233226,0.7429836885751491,0.7301761359742307,0.7271091768898637
EOS-3-38262,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5csc(C)n5)n34)nc(C)n2)cn1,ZCJOHHPHSOKGHK-UHFFFAOYSA-N,3,1,0.415,31,330,445.512,3.042,5,0.389,0.65,1.0,0.35999931464601465,0.15255979713522033,0.021245973545336166,0.010777191419368103,0.1361455691864848
EOS-3-38263,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3cccnc3-c3cc(O)cc(F)c3)n12,VZXVLRFPSOTGAZ-UHFFFAOYSA-N,3,1,0.314,96,46,431.858,5.327,5,0.418,0.75,0.952,0.42541635254609006,0.67495373860599,0.9054982523473374,0.9287488862997738,0.7336543074497978
EOS-3-38264,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5c(F)ccc(F)c5F)n4)n23)cc1,JQXVGBWCYLUQEM-UHFFFAOYSA-N,3,1,0.317,3,635,474.41,3.252,6,0.361,0.64,1.0,0.07504626139401001,0.27380748406551986,0.5268401754506202,0.5802720855321774,0.36399150161058186
EOS-3-38265,Fc1cncc(COc2cncc3nnc(-c4cncc(-c5ccnc(Cl)c5)c4)n23)c1F,YPVROPCUYABCQU-UHFFFAOYSA-N,3,1,0.433,2,419,451.824,4.154,5,0.371,0.65,1.0,0.7729165238845864,0.8131982043725584,0.9094733054622712,0.9106469741621548,0.8515587519703928
EOS-3-38266,Cc1nc(-c2cc(-c3nnc4cncc(CCc5cccc(Cl)c5)n34)ccn2)cs1,VUGHSVSBUNHCEH-UHFFFAOYSA-N,3,1,0.448,14,886,432.94,5.057,5,0.388,0.81,1.0,0.27984716606127064,0.39608320197381947,0.4644472620108286,0.5478548420259064,0.4220581180179563
EOS-3-38267,Cc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)n(C)n1,YJXLLWDXJRKASV-UHFFFAOYSA-N,3,1,0.511,27,69,448.437,3.807,5,0.39,0.63,1.0,0.5301812761291207,0.4507144815297101,0.6856109930779247,0.5212973750942361,0.5469510314577479
EOS-3-38268,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4F)n23)nc1,VUUNTFYSXRMGPO-UHFFFAOYSA-N,3,1,0.314,32,693,467.443,3.989,6,0.387,0.6,0.999,0.09793708450414639,0.23798917140703174,0.631836406003701,0.6745082585155233,0.4105677301076006
EOS-3-38270,Fc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccncc1,CZAGUWZRZUMVDV-UHFFFAOYSA-N,3,1,0.662,35,393,412.428,4.009,5,0.419,0.8,1.0,0.9252707148242068,0.9393376053731752,0.7997138647111233,0.7810636693852375,0.8613464635734357
EOS-3-38271,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccccc4)n23)nc1,AXPGFHKXAMIRET-UHFFFAOYSA-N,3,1,0.301,30,179,421.424,3.304,6,0.426,0.59,0.996,0.0955126447810294,0.05235247755465698,0.13211911452265096,0.1633455554794051,0.11083244808443561
EOS-3-38272,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)cc(F)n1,JEGTVIVSQKCATA-UHFFFAOYSA-N,3,1,0.44,92,185,439.842,2.692,5,0.388,0.6,1.0,0.3319854704955109,0.4465509560688095,0.2377064628880817,0.24563943526831608,0.3154705811801795
EOS-3-38273,CC(C)n1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cc1,FBNLSJIVIHLOBI-UHFFFAOYSA-N,3,1,0.308,9,339,459.517,4.755,6,0.367,0.7,1.0,0.07323007333287643,0.05236104447947365,0.369842711260366,0.3091717497087246,0.20115139469536014
EOS-3-38274,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)nnc2F)cn1,DGDWGINIVCBQHP-UHFFFAOYSA-N,3,1,0.562,19,73,446.421,3.246,5,0.392,0.54,0.998,0.7288311287780138,0.6312195874169009,0.457525186758961,0.4610718936330615,0.5696619491467343
EOS-3-38275,CCc1nc(-c2nnc3cncc(COc4cnc(C)cn4)n23)ccc1-c1cnc(C)cn1,DORHIXMBVHSOPJ-UHFFFAOYSA-N,3,1,0.3,7,690,439.483,3.192,5,0.393,0.56,0.939,0.21496984442464534,0.11663868137893221,0.06708758823932562,0.03136351175382085,0.107514906449181
EOS-3-38276,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)ccc2F)nc1,YJYCEDNCKAJHTA-UHFFFAOYSA-N,3,1,0.529,59,89,459.391,4.116,5,0.365,0.67,1.0,0.9589558632033446,0.9378469604550751,0.9544239599753273,0.9435096977588925,0.9486841203481599
EOS-3-38277,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1,MRDSCMNIYHBIOK-UHFFFAOYSA-N,3,1,0.387,69,152,445.461,5.116,6,0.375,0.73,1.0,0.31944349256390925,0.4773233500102803,0.7927917894592557,0.8244123089575766,0.6034927352477555
EOS-3-38278,Fc1ccnnc1-c1cncc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,MLBYMYAWZIJMOO-UHFFFAOYSA-N,3,1,0.624,16,996,465.395,3.963,5,0.356,0.66,1.0,0.9634106641080118,0.9407425810431088,0.905506819272154,0.8697227743129327,0.9198457096840519
EOS-3-38279,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccccn5)n34)cc2Cl)ccn1,JXJVABCNUZJBTK-UHFFFAOYSA-N,3,1,0.697,1,744,428.883,4.789,5,0.4,0.7,1.0,0.6434617229799191,0.780506819272154,0.7709118634774861,0.7511908025495169,0.736517802069769
EOS-3-38280,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(Cl)cc6)n5)n34)cn2)cn1,GFRIVDGRDVJANF-UHFFFAOYSA-N,3,1,0.318,10,118,469.871,4.289,6,0.355,0.7,0.948,0.042406277842505655,0.2789733397299705,0.6112929202933315,0.7087759577821945,0.41036212391200055
EOS-3-38281,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nn1,IUYWQGCKUIVTEM-UHFFFAOYSA-N,3,1,0.364,6,318,448.45,3.231,6,0.391,0.55,0.999,0.3390960180933452,0.21757418956891234,0.1954715235419094,0.16612980604482214,0.22956788431224728
EOS-3-38282,Cc1ccc(COc2cncc3nnc(-c4csc(-c5ccc(F)cn5)c4)n23)nn1,JMLGLODWYQDQOP-UHFFFAOYSA-N,3,1,0.471,24,617,419.445,3.731,5,0.429,0.69,1.0,0.46700877253101225,0.4465595229936262,0.355064765951614,0.33732266465629496,0.40148893153313686
EOS-3-38283,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)cc2F)n1C,WYTVWXQFNLDWEJ-UHFFFAOYSA-N,3,1,0.552,37,265,466.427,3.329,5,0.379,0.62,1.0,0.7346652045781646,0.737158179699815,0.5403416489616887,0.547863408950723,0.6400071105475978
EOS-3-38284,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)cn(C)c2=O)cn1,VBBMWALMVPWRMB-UHFFFAOYSA-N,3,1,0.412,92,388,477.916,2.438,5,0.35,0.7,1.0,0.20416695223082723,0.119971215132616,0.08977280515386198,0.09439037763004592,0.12707533753683778
EOS-3-38285,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(Cl)n2)nn1C,IPJXQBCHWAUFES-UHFFFAOYSA-N,3,1,0.495,65,271,465.88,3.099,5,0.352,0.65,1.0,0.5170224796107189,0.6029401685970804,0.15972174628195462,0.2018538825303269,0.3703845692550202
EOS-3-38286,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)ccc4Cl)n23)nc1,RYMKNRNNHXPWIJ-UHFFFAOYSA-N,3,1,0.419,97,348,446.873,4.928,5,0.356,0.77,1.0,0.8169333835926256,0.7969981495442396,0.8692258926735659,0.8648139263929819,0.8369928380508533
EOS-3-38287,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)ccc1F,NQBHTMDKXSHXJI-UHFFFAOYSA-N,3,1,0.444,97,153,446.873,4.928,5,0.356,0.77,1.0,0.752681447467617,0.6848656706188746,0.8882530326913851,0.8811167843191008,0.8017292337742443
EOS-3-38288,CCNc1cc(-c2nnc3cncc(OCc4cnncc4F)n23)ccc1-c1ccncn1,QZZMDHMWYXPNOI-UHFFFAOYSA-N,3,1,0.433,16,256,443.446,3.188,5,0.405,0.54,1.0,0.6711414570625728,0.4197878829415393,0.4575337536837777,0.32761633883901037,0.46901985813172503
EOS-3-38289,Cn1nnnc1-c1nnc(Oc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4F)n23)cc1F,FYVIYEOQADCCDV-UHFFFAOYSA-N,3,1,0.346,36,706,475.383,1.627,6,0.385,0.63,0.96,0.46701733945582896,0.5364179973956549,0.09205160715509561,0.14538928106366938,0.31021905626756224
EOS-3-38290,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCCc5ccc(Cl)nn5)n34)c2)cn1,HSNNOMJOCBOGFN-UHFFFAOYSA-N,3,1,0.388,31,720,459.901,3.407,5,0.337,0.64,1.0,0.5119679939688849,0.5272942224659036,0.11515660338564869,0.14289630594201905,0.32432878144061406
EOS-3-38291,Fc1cnc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,GBUJVPKMIURHKW-UHFFFAOYSA-N,3,1,0.42,81,763,466.44,3.147,6,0.393,0.59,1.0,0.7196045507504626,0.6126978959632651,0.28145774792680417,0.2872318552532383,0.4752480124734425
EOS-3-38292,Fc1ccc(Cc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)cc1-c1cncnn1,GHQMAUVFCYQCLA-UHFFFAOYSA-N,3,1,0.337,32,935,461.464,3.83,6,0.381,0.59,0.999,0.2988743060790898,0.33883901034884517,0.5025700774450004,0.5414553491878555,0.4204346857651977
EOS-3-38293,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c(F)cn2)cn1,CYVXGVJCEOSTPM-UHFFFAOYSA-N,3,1,0.462,55,879,458.844,3.886,5,0.364,0.65,1.0,0.9004866013295867,0.9490953327393599,0.8464892742101295,0.8325337536837777,0.8821512404907135
EOS-3-38294,COc1ncccc1-c1cncc2nnc(-c3cccc(-c4ccccc4Cl)n3)n12,OVBDFZKBKGADHR-UHFFFAOYSA-N,3,1,0.329,96,616,414.856,4.577,5,0.428,0.78,1.0,0.35294873552189704,0.4465680899184429,0.5926941265163457,0.6371650332396683,0.5073439962990884
EOS-3-38295,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4C)n23)nn1C,BCQZVTOLMBNJFO-UHFFFAOYSA-N,3,1,0.384,95,864,432.463,3.435,5,0.409,0.6,1.0,0.3013330135014735,0.21269960934822835,0.3361232951819615,0.2786135288876705,0.2821923617298335
EOS-3-38296,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cc2F)s1,VXLFCISEIVIZIP-UHFFFAOYSA-N,3,1,0.533,37,589,451.462,3.913,5,0.387,0.62,1.0,0.8144404084709752,0.8286872044410938,0.42501370707970665,0.4517510794325269,0.6299730998560756
EOS-3-38297,COCc1ccc(-c2nnc3cncc(Cc4ccc(-c5cncc(F)c5)s4)n23)cc1,CGOLMHKWZUZHPW-UHFFFAOYSA-N,3,1,0.386,14,357,431.496,4.791,5,0.387,0.72,1.0,0.4159156329244055,0.4152645466383387,0.7801470084298541,0.7461705846069495,0.589374443149887
EOS-3-38298,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cc5)n34)nc2)n(C)n1,WAWMJJPNNIFWCQ-UHFFFAOYSA-N,3,1,0.311,38,193,461.533,4.271,6,0.389,0.63,1.0,0.12104208073469948,0.08201117126996094,0.3326879583304777,0.2371753135494483,0.1932291309711466
EOS-3-38299,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2Cl)c[nH]1,VLDMINJUYKIHCP-UHFFFAOYSA-N,3,1,0.436,73,379,466.292,3.337,5,0.38,0.72,1.0,0.7644781029401686,0.6702761976560894,0.4989976697964499,0.5545027756836406,0.6220636865190872
EOS-3-38300,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4Cl)n23)cc1,VRCXLFQFBYZTKW-UHFFFAOYSA-N,3,1,0.632,48,378,485.878,3.473,5,0.403,0.82,1.0,0.8066188061133576,0.504694674799534,0.8016928243437735,0.7832825029127545,0.7240722020423548
EOS-3-38301,Fc1ccc(Cl)cc1-c1nnc2cncc(OCc3nnc(-c4ccns4)s3)n12,HNGWIGANEBQWGP-UHFFFAOYSA-N,3,1,0.5,4,10,445.892,4.138,5,0.401,0.67,1.0,0.5195668562812693,0.6605527379891714,0.23771502981289835,0.4104756356658214,0.4570775649372901
EOS-3-38302,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,VIRHWJIEIKRSFV-UHFFFAOYSA-N,3,1,0.56,15,626,445.914,4.345,5,0.346,0.69,1.0,0.8689431841546159,0.7093328078952779,0.49216983071756565,0.4674371187718457,0.6344707353848262
EOS-3-38303,Cc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3cncc(Cl)n3)n12,PSKUHRGSFCNLBT-UHFFFAOYSA-N,3,1,0.439,20,279,462.876,3.761,5,0.375,0.62,0.994,0.7956617092728394,0.8092231512576246,0.30667020766225755,0.36631313823589884,0.5694670516071552
EOS-3-38304,FCc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)cn1,QIDVUDMKOOOHOZ-UHFFFAOYSA-N,3,1,0.423,51,354,449.837,3.135,5,0.36,0.6,1.0,0.6434702899047358,0.8055822082105407,0.33613186210677815,0.34363648824617915,0.5322052121170585
EOS-3-38305,Cc1nnc(-c2nc(-c3nnc4cncc(-c5nnnn5-c5ccccc5)n34)cs2)s1,CZESTGQPLHRSGQ-UHFFFAOYSA-N,3,1,0.269,76,272,445.497,2.717,6,0.402,0.56,0.981,0.006493729011034199,0.009526420396134603,0.0035467068741004727,0.00442053320540059,0.005996847371667466
EOS-3-38306,COc1ncc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)cc1-c1cnc(C)cn1,SVISHANZALJCAM-UHFFFAOYSA-N,3,1,0.472,55,16,461.432,3.818,5,0.376,0.64,1.0,0.6831865533548077,0.6362912069083682,0.6802994996915908,0.5641834007264752,0.6409901651703105
EOS-3-38307,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(C(F)F)c4)n23)cc1,RQQZJRRHICUCFO-UHFFFAOYSA-N,3,1,0.432,66,646,407.424,4.069,4,0.523,0.84,1.0,0.38079124117606744,0.2636042766088685,0.8337331231581112,0.7274004523336303,0.5513822733191693
EOS-3-38308,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5cccc(C#N)n5)c4)n23)nn1,RSHWBZGWNJEDEA-UHFFFAOYSA-N,3,1,0.466,24,241,421.424,2.797,5,0.421,0.59,1.0,0.45765369063121103,0.41979644986635595,0.2959872524158728,0.23718388047426495,0.3526553183469262
EOS-3-38309,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nc4Cl)n23)c1,XQNPPMSHBQCRGH-UHFFFAOYSA-N,3,1,0.472,97,91,457.856,4.491,5,0.358,0.72,1.0,0.9380268658762251,0.9179545610307724,0.8893238982934686,0.9002552943595367,0.9113901548900007
EOS-3-38310,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)nn2)nn1,UUKRHXFAKIRFSX-UHFFFAOYSA-N,3,1,0.287,99,887,454.845,2.334,6,0.39,0.53,0.679,0.005559934206017408,0.11664724830374888,0.1095109999314646,0.18526831608525804,0.10424662463162224
EOS-3-38311,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nccnc5-c5ccccc5)n34)cc2)c[nH]1,VDPPWQAEGXVNHB-UHFFFAOYSA-N,3,1,0.386,30,365,430.475,4.614,6,0.438,0.63,1.0,0.19039990405044205,0.09469878692344597,0.4211757247618395,0.43888355835789183,0.2862894935234048
EOS-3-38312,Clc1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccn4)n23)cn1,NELXRDIWJDACAL-UHFFFAOYSA-N,3,1,0.489,24,94,451.277,3.924,5,0.371,0.65,1.0,0.6493900349530533,0.7847731478308546,0.4101329586731547,0.5113083407580015,0.588901120553766
EOS-3-38313,COc1cc(-c2cncn2C)ccc1-c1nnc2cncc(COc3ccc(Cl)c(C)c3)n12,QGERRNGCMPOWIG-UHFFFAOYSA-N,3,1,0.406,14,189,460.925,4.741,5,0.364,0.78,1.0,0.48439106298403123,0.40581522856555413,0.7908299636762388,0.677583784524707,0.5896550099376328
EOS-3-38314,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)nc4F)n23)nc1,BFTUVTICQIAHGX-UHFFFAOYSA-N,3,1,0.271,86,588,457.364,2.428,6,0.36,0.58,0.984,0.31702761976560895,0.3096857651977246,0.11218388047426496,0.17153553560413953,0.2276082002604345
EOS-3-38315,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)sn4)n23)n(C)n1,ORTIELQYJDIYSN-UHFFFAOYSA-N,3,1,0.387,46,662,422.449,3.07,5,0.429,0.61,1.0,0.3170361866904256,0.3046055787814406,0.13212768144746762,0.12932629703241724,0.2207739359879378
EOS-3-38316,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)cn2)s1,BAHPHUSQYITQKW-UHFFFAOYSA-N,3,1,0.456,55,606,433.472,4.04,5,0.413,0.62,1.0,0.634749160441368,0.6848742375436914,0.42502227400452336,0.327624905763827,0.5180676444383524
EOS-3-38317,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cccnc6)cn5)n34)cn2)nc1,LUPFZQOEPYVLCL-UHFFFAOYSA-N,3,1,0.484,80,34,478.451,3.213,6,0.352,0.7,1.0,0.6464944143650195,0.6312281543417175,0.29949112466588995,0.2723939414707697,0.4624019087108492
EOS-3-38318,O=C(c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)nc1)c1ccccc1F,XPLLMVOBIXEJCJ-UHFFFAOYSA-N,3,1,0.453,19,54,475.871,3.621,5,0.328,0.76,1.0,0.6618035090124049,0.5547683503529574,0.46445582893564524,0.5180933452128024,0.5497802583784525
EOS-3-38319,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccs6)n5)n34)nc2)cc1F,UGNGASXYVSONPS-UHFFFAOYSA-N,3,1,0.292,99,952,456.47,3.4,6,0.397,0.58,0.694,0.029984236858337333,0.15650058255088753,0.12628503872250016,0.17677849359194023,0.12238708793091632
EOS-3-38320,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)nn2C)cn1,QPQPMFJEAZUJFF-UHFFFAOYSA-N,3,1,0.456,92,694,417.408,2.403,5,0.401,0.67,0.995,0.37384346514974987,0.2582499485984511,0.2663285587005688,0.19885545884449318,0.27431935782331573
EOS-3-38321,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ncc(C)nc5Cl)n34)c2)cn1,YFBNKMPROCJVAV-UHFFFAOYSA-N,3,1,0.471,20,426,458.913,3.93,5,0.377,0.61,1.0,0.6618120759372216,0.7140103488451786,0.20948701254197793,0.21938181070522925,0.45117281200740184
EOS-3-38322,Fc1cc(CCOc2cncc3nnc(-c4csc(-c5ncccn5)c4)n23)ncc1Cl,JFZRSTIYNHJTKM-UHFFFAOYSA-N,3,1,0.489,87,262,453.89,4.119,5,0.382,0.67,1.0,0.7010057569734768,0.6263535741210335,0.4681481735316291,0.5148207799328353,0.5775820711397437
EOS-3-38323,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-n5cccc5)cn4)n23)nc1,DGQUNMDHJGZRDQ-UHFFFAOYSA-N,3,1,0.444,27,348,419.395,3.889,5,0.415,0.69,1.0,0.38992358303063535,0.3290984168322939,0.8174131313823589,0.7511993694743335,0.5719086251799055
EOS-3-38324,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3cc(-c4cncc(F)c4)ncn3)n12,YBAWDNLYIHQMLC-UHFFFAOYSA-N,3,1,0.317,96,155,417.835,4.411,5,0.432,0.71,1.0,0.35295730244671375,0.5316719210472209,0.7928003563840724,0.8405780960866287,0.6295019189911589
EOS-3-38325,Fc1cc(COc2cncc3nnc(-c4cccc(-c5ncns5)c4)n23)cc(F)n1,UJFACZJJTIWKIN-UHFFFAOYSA-N,3,1,0.5,16,55,423.408,3.562,5,0.399,0.64,1.0,0.7073881159618943,0.5688523747515591,0.6442070454389692,0.6166729490781989,0.6342801213076554
EOS-3-38326,Fc1ncc(-c2nncc(-c3cncc4nnc(-c5cnc(-c6ccccn6)s5)n34)n2)cn1,NNNFPSAQJVRNSG-UHFFFAOYSA-N,3,1,0.283,86,892,455.442,2.758,6,0.365,0.58,0.996,0.1078061818929477,0.22299705297786307,0.06933212254129258,0.10257179082996368,0.12567678706051674
EOS-3-38327,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)c2)cn1,SULUSDJINYRPEC-UHFFFAOYSA-N,3,1,0.533,84,858,461.888,4.366,5,0.371,0.67,1.0,0.7526900143924337,0.855424576793914,0.7453138921252828,0.7408762250702488,0.7735761770954698
EOS-3-38328,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c1Cl,DWJOIMQQGJWFFX-UHFFFAOYSA-N,3,1,0.478,75,420,448.849,3.452,5,0.389,0.55,1.0,0.8577376464944144,0.7970067164690563,0.41751764786512235,0.47644095675416354,0.6371757418956893
EOS-3-38329,CCc1nn(C)cc1CCOc1cncc2nnc(-c3cncc(-c4ncccn4)c3)n12,ZFGCCPWYANUPTA-UHFFFAOYSA-N,3,1,0.471,65,349,427.472,2.561,5,0.39,0.62,1.0,0.22057261325474609,0.11368309231718182,0.04307449797820574,0.033565211431704475,0.10272385374545953
EOS-3-38330,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(Cl)cn4)n23)cc1,FYFNCCWOYXMHRV-UHFFFAOYSA-N,3,1,0.333,98,63,466.896,3.759,6,0.386,0.62,1.0,0.21237406620519497,0.24347200328969912,0.35125248440819684,0.4328010417380577,0.3099748989102872
EOS-3-38331,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4)n23)c1F,XSTTZGNAZWFSDF-UHFFFAOYSA-N,3,1,0.529,15,475,430.447,3.051,5,0.408,0.56,1.0,0.6008070043177302,0.5456017407991227,0.42118429168665616,0.3468233842779796,0.4786041052703721
EOS-3-38332,Cc1csc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)c1,IFXCTDUYFLYYDY-UHFFFAOYSA-N,3,1,0.276,76,368,437.492,4.07,6,0.442,0.61,0.793,0.07697381947776026,0.18513124528819136,0.2094955794667946,0.2139932149955452,0.17139846480707285
EOS-3-38333,Cc1cc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)cc(-c2ccc(F)cn2)n1,HTUDQKDBBBLBBS-UHFFFAOYSA-N,3,1,0.529,84,559,463.423,3.991,5,0.376,0.62,1.0,0.8941128092659859,0.835540744294428,0.7547889109725173,0.7329946542389144,0.8043592796929614
EOS-3-38334,Cc1nn(C)c(-c2nccs2)c1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,QFHITWSPUJYVKC-UHFFFAOYSA-N,3,1,0.326,70,687,451.519,4.081,6,0.398,0.62,1.0,0.01818758138578576,0.048762936056473166,0.0712682475498595,0.09052669453772874,0.057186364882461795
EOS-3-38335,Cc1ccc(Br)c(Oc2cncc3nnc(-c4cc(-c5ccncc5)ccn4)n23)c1,SGAJIMXTLARZDE-UHFFFAOYSA-N,3,1,0.379,97,160,459.307,5.112,5,0.372,0.76,1.0,0.4995116852854499,0.5047032417243507,0.7453224590500994,0.7116715783702282,0.6153022411075321
EOS-3-38336,CCn1cnnc1-c1cc(Cl)cc(-c2nnc3cncc(OCCc4ccnn4C)n23)c1,GFBPUHIAMUZCCP-UHFFFAOYSA-N,3,1,0.489,36,908,449.906,3.078,5,0.376,0.57,1.0,0.38528887670481804,0.42872318552532385,0.12927489548351723,0.14774518538825304,0.272758035775478
EOS-3-38337,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(Cl)c1F,IFMUBMIOHBNJIF-UHFFFAOYSA-N,3,1,0.576,37,393,450.865,3.396,5,0.391,0.57,1.0,0.5778476458090603,0.6029487355218971,0.6318449729285176,0.6429048728668357,0.6138865567815777
EOS-3-38338,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1,VSZQZTFPEPOMFP-UHFFFAOYSA-N,3,1,0.571,4,506,417.86,3.819,5,0.432,0.64,1.0,0.4508172846275101,0.47733191693509697,0.6289065177164005,0.6311596189431842,0.5470538345555479
EOS-3-38339,Cc1cnc(COc2cncc3nnc(-c4cc(-c5cncn5CCF)ncn4)n23)cn1,IPOBWGZASWRPEX-UHFFFAOYSA-N,3,1,0.347,7,296,432.423,2.092,5,0.38,0.57,0.985,0.3040487286683572,0.09470735384826262,0.07127681447467617,0.05317490233705709,0.13080194983208826
EOS-3-38340,Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nn5)ccn4)n23)n1,AOJIYIMTMMKFJJ-UHFFFAOYSA-N,3,1,0.44,4,122,414.404,3.065,5,0.432,0.67,1.0,0.44359536700705915,0.38674525392365156,0.3586371736001645,0.30257521759989037,0.3728882530326914
EOS-3-38341,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccn4)n23)ccn1,TZRUHXRBQFWYAF-UHFFFAOYSA-N,3,1,0.529,7,43,414.404,3.065,5,0.432,0.67,1.0,0.5376944691933384,0.4906791857994654,0.46446439586046195,0.372806867246933,0.46641122952504965
EOS-3-38342,COc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1ncccc1F,GRUWSGFTWLMMNS-UHFFFAOYSA-N,3,1,0.511,13,573,466.835,4.981,5,0.361,0.77,1.0,0.8849976012610513,0.8055907751353574,0.8353779727229114,0.8325423206085943,0.8396271674319786
EOS-3-38343,COc1cc(-c2nnc3cncc(OCc4csc(C)n4)n23)ccc1-c1ccnc(F)c1,MLEDPIIYKYDALB-UHFFFAOYSA-N,3,1,0.506,4,83,448.483,4.345,5,0.357,0.7,1.0,0.6263535741210335,0.6997721197998766,0.5770080871770269,0.4421903913371256,0.5863310431087657
EOS-3-38344,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)n6)cc5)n34)cn2)cn1,WNDBHBNWNITUBE-UHFFFAOYSA-N,3,1,0.298,42,725,465.908,4.364,6,0.356,0.68,1.0,0.09794565142896305,0.1938695086011925,0.5959324240970462,0.580280652456994,0.3670070591460489
EOS-3-38345,Clc1ccc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ncn2)cc1,MHAPVKACOHISBG-UHFFFAOYSA-N,3,1,0.409,44,616,435.274,5.347,5,0.379,0.82,0.999,0.577856212733877,0.6997806867246933,0.8516636967993969,0.9150589404427387,0.7610898841751765
EOS-3-38346,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(C)n5)ncn4)n23)n1,KTFFLCOECHGBOB-UHFFFAOYSA-N,3,1,0.396,46,726,429.419,2.768,5,0.416,0.55,0.99,0.49428586114728257,0.4287317524501405,0.20594887259269412,0.1477537523130697,0.3191800596257967
EOS-3-38347,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)s1,FVRHDZAJMHHGIA-UHFFFAOYSA-N,3,1,0.304,76,114,437.492,3.772,6,0.414,0.59,0.681,0.054665547255157286,0.06776437529984237,0.07992940853951065,0.10258035775478035,0.07623492221232267
EOS-3-38348,Fc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1F,MKMJKYWBXSUOIH-UHFFFAOYSA-N,3,1,0.578,75,698,437.435,3.605,5,0.375,0.64,1.0,0.7346737715029813,0.6653844835857721,0.5991878555273799,0.5609965046946748,0.6400606538277019
EOS-3-38349,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(N5CCC5)nc4)n23)cn1,SBDCZZJMSLMRTI-UHFFFAOYSA-N,3,1,0.34,82,974,409.457,2.859,6,0.451,0.8,1.0,0.06528853402782538,0.01959255705571928,0.013535741210335139,0.03564697416215475,0.03351595161400864
EOS-3-38350,COc1ncc(-c2nnc3cncc(OCCc4nccc(C)n4)n23)cc1-c1ccc(C)nc1,NUUDAMBXYBAWSB-UHFFFAOYSA-N,3,1,0.439,87,657,454.494,3.285,5,0.365,0.62,1.0,0.3876790487286684,0.2738160509903365,0.15034096360770338,0.06856109930779247,0.2200992906586252
EOS-3-38351,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cccnc5OC(F)F)ncn4)n23)cn1,KNBPVJOYSPLVNV-UHFFFAOYSA-N,3,1,0.464,7,354,463.408,2.922,5,0.356,0.63,0.971,0.5865088067987115,0.5599256390925913,0.47150640805976285,0.33398156397779455,0.48798060448221503
EOS-3-38352,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)cnn1,HKVQOZBGJCWGOA-UHFFFAOYSA-N,3,1,0.575,75,393,414.404,2.799,5,0.418,0.67,1.0,0.7468730724419163,0.6558323624151875,0.4782571448152971,0.4421989582619423,0.5807903844835858
EOS-3-38353,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)ccn3)n12,MXVXJTPOSRBBFV-UHFFFAOYSA-N,3,1,0.477,18,324,414.404,2.799,5,0.418,0.68,1.0,0.6831951202796245,0.5735641834007265,0.44686793228702626,0.42014769378383937,0.5309437324378041
EOS-3-38354,Clc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)c1Cl,XHKQLNFNIZAOIY-UHFFFAOYSA-N,3,1,0.523,35,300,464.316,4.572,5,0.364,0.68,1.0,0.8373912000548284,0.8092317181824412,0.5927026934411623,0.6835292303474745,0.7307137105064766
EOS-3-38355,COc1ccc(Cl)c(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)ns4)n23)c1,KMKQCWVJTVZIFI-UHFFFAOYSA-N,3,1,0.373,22,155,456.318,4.687,5,0.363,0.78,0.999,0.30920601740799125,0.44657665684325953,0.48891439928723185,0.6138458638886986,0.4646357343567953
EOS-3-38356,CCOC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)cc1,GHOXFEUBQBGYPT-UHFFFAOYSA-N,3,1,0.341,29,849,458.869,3.535,5,0.287,0.8,0.997,0.3463436364882462,0.3678723185525324,0.24479130971146598,0.21400178192036187,0.2932522616681516
EOS-3-38357,FC(F)(F)c1nccc(COc2cncc3nnc(-c4ccc(-c5ccns5)cc4)n23)n1,HJKYKUICZFZSAT-UHFFFAOYSA-N,3,1,0.536,27,343,455.425,4.303,5,0.39,0.65,1.0,0.7701579740936193,0.7678877390172024,0.8119045987252416,0.6486961140429032,0.7496616064697417
EOS-3-38358,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncs5)nc4)n23)cc1,HEMCBHHSAIDDMP-UHFFFAOYSA-N,3,1,0.488,56,8,468.506,3.079,6,0.363,0.69,1.0,0.5045576040024673,0.30969433212254127,0.1210592145843328,0.09439894455486258,0.257427523816051
EOS-3-38359,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1ccccc1,JQQVVOQSWPWTQZ-UHFFFAOYSA-N,3,1,0.494,95,54,449.877,4.001,5,0.389,0.6,0.998,0.509492152696868,0.4465852237680762,0.5831762730450277,0.6487046809677198,0.546989582619423
EOS-3-38360,Fc1cncc(F)c1COc1cncc2nnc(-c3cccc(-c4nccs4)c3)n12,PMVFYTPEQUQBPQ-UHFFFAOYSA-N,3,1,0.506,97,666,422.42,4.167,5,0.423,0.68,1.0,0.7196131176752792,0.6175553423343156,0.7502141731204167,0.7357103694057981,0.7057732506339525
EOS-3-38361,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)nn5cccc45)n23)cn1,QKXXQOAJVYAZDO-UHFFFAOYSA-N,3,1,0.417,6,826,455.869,3.523,6,0.363,0.61,0.997,0.5749520252210266,0.7047323692687273,0.41366253169762185,0.48253204029881436,0.5439697416215475
EOS-3-38362,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ncon5)nc4F)n23)c1F,XGKPVKXWRYQUAQ-UHFFFAOYSA-N,3,1,0.44,55,242,422.355,2.797,5,0.394,0.66,1.0,0.7042097868549105,0.5983397299705298,0.4032622849701871,0.3596480707285313,0.5163649681310397
EOS-3-38363,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5-c5cccnc5)n34)cc2)nn1C,LLDDLVHPPIIMTM-UHFFFAOYSA-N,3,1,0.349,9,38,462.492,4.763,6,0.375,0.71,1.0,0.2068912343225276,0.3046141457062573,0.5268487423754369,0.5545113426084572,0.3982163662531698
EOS-3-38364,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(CCl)n4)n23)c(F)c1,AKOWKDCGHOHPHF-UHFFFAOYSA-N,3,1,0.484,20,353,464.892,3.481,5,0.34,0.67,1.0,0.6711500239873894,0.6898516208621753,0.3361404290315948,0.35007881570831334,0.5118052223973683
EOS-3-38365,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnc(C)s5)c(F)c4)n23)ccn1,ZQVZOICQTZMYKS-UHFFFAOYSA-N,3,1,0.588,72,628,447.499,4.082,5,0.387,0.64,1.0,0.7983602905900897,0.7847817147556713,0.3434137482009458,0.29637276403262286,0.5557321293948324
EOS-3-38366,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)cn2)n1,WMAOMGVPHGKTDE-UHFFFAOYSA-N,3,1,0.284,10,664,441.846,2.873,6,0.413,0.58,0.727,0.013287300390651772,0.1271845658282503,0.27384175176478653,0.35008738263313,0.19110025015420465
EOS-3-38367,Cc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)c(F)n1,BWCFOJWYJOPFSD-UHFFFAOYSA-N,3,1,0.451,13,145,432.846,5.142,5,0.391,0.74,1.0,0.6739599753272565,0.7931944349256391,0.7778853402782537,0.8013929819751902,0.7616081831265848
EOS-3-38368,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4ccsc4)n23)n1,HIBWDBPKSWDBMN-UHFFFAOYSA-N,3,1,0.277,76,935,437.492,3.772,6,0.414,0.56,0.744,0.06529710095264205,0.0415410184360222,0.12106778150914947,0.16335412240422179,0.09781500582550887
EOS-3-38369,CC#Cc1cncc(-c2cnnc(COc3cncc4nnc(-c5ccc(C)nn5)n34)c2)n1,MOMIILGLCDYNKZ-UHFFFAOYSA-N,3,1,0.357,53,587,436.439,2.087,5,0.377,0.56,0.266,0.2936142142416558,0.2329175519155644,0.11812932629703242,0.08316770612021109,0.18195719964361592
EOS-3-38370,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(-c6ncccn6)cc5)n4)n23)cc1,WWHLICKFSPUIAM-UHFFFAOYSA-N,3,1,0.33,69,479,484.523,4.337,6,0.388,0.81,1.0,0.14567198958261943,0.037908642313755056,0.4540984168322939,0.35965663765334793,0.24933392159550405
EOS-3-38371,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(Cl)nc4)n23)cc1,HKBDDZTWIFXHQN-UHFFFAOYSA-N,3,1,0.312,9,642,465.908,4.364,6,0.356,0.69,1.0,0.19860701802480982,0.2379977383318484,0.48537625933794804,0.5478719758755397,0.3674632478925365
EOS-3-38372,COCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)cn1,RNVQKRXFJYTNSB-UHFFFAOYSA-N,3,1,0.295,98,890,466.469,1.906,6,0.357,0.59,1.0,0.1487646494414365,0.10766054417106435,0.03199746419025427,0.038979507915838534,0.08185054142964841
EOS-3-38373,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cn2)n(C)n1,XBISUGLAYSVZGV-UHFFFAOYSA-N,3,1,0.519,65,981,418.486,2.973,5,0.418,0.7,1.0,0.3762250702487835,0.32473785210060996,0.08222534439037762,0.05896614351312453,0.2105386025632239
EOS-3-38374,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncs5)cn4)n23)cc1Cl,XAEKTVVRORYDRK-UHFFFAOYSA-N,3,1,0.64,97,71,438.875,4.681,5,0.396,0.71,1.0,0.8040144609690906,0.8757624563086834,0.8263655678157769,0.8346069494894113,0.8351873586457406
EOS-3-38375,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)nc1F,NWLBZOLVORYPPO-UHFFFAOYSA-N,3,1,0.43,31,773,430.447,3.225,5,0.366,0.62,1.0,0.5480775820711398,0.3725584264272497,0.3141576999520252,0.26685114111438557,0.3754112123912
EOS-3-38376,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)nc1,CGPWERGPHDZTPU-UHFFFAOYSA-N,3,1,0.4,46,62,451.853,3.231,5,0.362,0.62,0.713,0.4576622575560277,0.4105099033650881,0.2777311356315537,0.31217017339455827,0.36451836748680694
EOS-3-38377,Cc1cnc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(C(=O)C6CC6)cn5)n34)c2)nn1,JXWTZTWTVYTVPN-UHFFFAOYSA-N,3,1,0.312,52,523,468.908,4.26,6,0.352,0.72,1.0,0.2041755191556439,0.3337416900829278,0.14138852717428552,0.312178740319375,0.24787111918305804
EOS-3-38378,Cc1nccc(COc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)c1F,RQENUFMMUTXRQG-UHFFFAOYSA-N,3,1,0.478,16,606,415.432,3.613,5,0.436,0.7,1.0,0.4695531492015626,0.41051847028990474,0.6803080666164074,0.567464532931259,0.5319610547597834
EOS-3-38379,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)c2)cn1,KEWDNJFOKSGPTE-UHFFFAOYSA-N,3,1,0.429,18,720,462.876,3.761,5,0.351,0.67,0.968,0.6772839421561236,0.6605613049139881,0.4610461928586115,0.45485230621616063,0.5634359365362209
EOS-3-38380,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCc5cncnc5F)n34)c2)nc1,YLANSWPSQSSAEB-UHFFFAOYSA-N,3,1,0.379,51,65,420.343,1.685,5,0.387,0.62,1.0,0.689217668425742,0.5180419436639024,0.24479987663628264,0.26082002604345145,0.4282198786923446
EOS-3-38381,Cn1nncc1-c1cc(F)cc(-c2nnc3cncc(Oc4ccc(Cl)cn4)n23)c1,PCOJDOBBFYHFLS-UHFFFAOYSA-N,3,1,0.407,13,706,422.811,3.567,5,0.437,0.6,1.0,0.4772119799876636,0.5090209718319512,0.617418271537249,0.6515917346309369,0.5638107394969502
EOS-3-38382,c1cnc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)cn1,DMSCMZYRFYMWFO-UHFFFAOYSA-N,3,1,0.21,86,953,421.388,1.076,6,0.402,0.58,1.0,0.00011993694743334933,0.002253101226783634,0.02743986018778699,0.03658933589198821,0.016600558563498048
EOS-3-38383,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnc6)cn5)n34)cc2)n1C,LAJPAHQJGCJORZ-UHFFFAOYSA-N,3,1,0.432,56,621,476.504,3.326,6,0.356,0.66,1.0,0.4869354396545816,0.29961962853813995,0.26633712562538553,0.1852768830100747,0.3095422692070454
EOS-3-38384,Cc1nccc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)c1Cl,WMNTURXXOAXNOU-UHFFFAOYSA-N,3,1,0.565,35,300,443.898,4.227,5,0.388,0.59,1.0,0.8347268864368447,0.7847902816804879,0.502578644369817,0.4915872798300322,0.6534207730792954
EOS-3-38385,Fc1cc(-c2ccnc(F)c2)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,WPLVNGCKYKPJEC-UHFFFAOYSA-N,3,1,0.566,4,439,451.824,4.154,5,0.371,0.62,1.0,0.5954184086080461,0.7504454800904667,0.8449300938934959,0.8697313412377493,0.7651313309574396
EOS-3-38386,CCc1cncc(-c2cc(-c3nnc4cncc(OCc5ccnc(CO)c5)n34)nn2C)n1,XQBQAHDXUAYNFZ-UHFFFAOYSA-N,3,1,0.384,31,569,443.471,2.01,5,0.401,0.6,0.828,0.1651874443149887,0.0452162291823727,0.0872626961825783,0.053183469261873756,0.08771245973545336
EOS-3-38387,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cccc(Oc4cccnc4)c3)n12,PRBHWBSCGPMJPB-UHFFFAOYSA-N,3,1,0.523,97,881,448.845,4.745,5,0.37,0.69,1.0,0.814448975395792,0.7805153861969707,0.8137207867863752,0.8099513398670414,0.8046591220615448
EOS-3-38388,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)cs2)c1,OWCVIBUSLYPBKS-UHFFFAOYSA-N,3,1,0.478,65,823,443.945,3.985,5,0.394,0.64,1.0,0.45992392570762797,0.44191624974299226,0.1413970940991022,0.1880182989514084,0.3078138921252827
EOS-3-38389,Fc1nnc(-c2cnnc(-c3cncc4nnc(-c5cnc(-c6nccs6)c(F)c5)n34)c2)nn1,MQVOMBWEXWPDOF-UHFFFAOYSA-N,3,1,0.271,99,719,474.42,2.292,6,0.371,0.6,0.898,0.1758875334110068,0.3628606675347817,0.07790761428277705,0.1382273319169351,0.18872078678637516
EOS-3-38390,Fc1ccccc1CCOc1cncc2nnc(-c3cncnc3-c3ncccn3)n12,VGNUXMGZLLJXLT-UHFFFAOYSA-N,3,1,0.659,75,262,414.404,2.799,5,0.418,0.69,1.0,0.7257384689191968,0.684882804468508,0.29599581934068947,0.3339901309026112,0.5101518059077514
EOS-3-38391,Cc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(Oc3ccc(Cl)c(Cl)c3)n12,JAIORUMHMJBGEZ-UHFFFAOYSA-N,3,1,0.566,13,15,452.305,4.994,5,0.382,0.74,1.0,0.48439962990884794,0.559934206017408,0.794950654513056,0.8284387636214104,0.6669308135151806
EOS-3-38392,Fc1cnc(F)c(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)c1,VGXMNSAEXNTIFQ-UHFFFAOYSA-N,3,1,0.484,87,307,465.851,4.196,5,0.347,0.7,1.0,0.8812195874169009,0.8554331437187307,0.815656911794942,0.832550887533411,0.8462151326159961
EOS-3-38393,Cc1cnccc1-n1cnc(-c2cncc3nnc(-c4ccc(C(=O)NCC5CCOC5)cc4)n23)c1,PKWMQMZQBXCAJF-UHFFFAOYSA-N,3,1,0.342,52,295,480.532,3.114,6,0.397,0.72,1.0,0.03264855047632102,0.008138578575834419,0.10951956685628127,0.12530840929340004,0.06890377630045919
EOS-3-38394,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1F,QXNYWBHVWSZWPV-UHFFFAOYSA-N,3,1,0.488,13,145,420.835,4.777,5,0.418,0.72,1.0,0.6585309437324378,0.7932030018504558,0.8386505380028785,0.8582773627578645,0.7871654615859092
EOS-3-38395,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ncccn4)n23)s1,BKGIWVAWESXYQB-UHFFFAOYSA-N,3,1,0.247,86,601,440.456,1.957,6,0.4,0.53,0.997,0.02666883695428689,0.045224796107189366,0.006270988965800836,0.006879240627784251,0.021260965663765334
EOS-3-38396,Fc1cccc(-c2nccnc2-c2nnc3cncc(OCCc4ncc(Cl)nn4)n23)c1F,BARLYFKMJHPNPW-UHFFFAOYSA-N,3,1,0.432,46,961,467.827,2.986,5,0.371,0.6,1.0,0.6892262353505586,0.6362997738331848,0.24480844356109932,0.4010006168185868,0.4928337673908574
EOS-3-38397,FCc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c(F)c2)o1,YGGYPOVONLDTGM-UHFFFAOYSA-N,3,1,0.446,73,772,457.347,3.702,5,0.356,0.66,1.0,0.787240422178055,0.7140189157699952,0.7615482146528683,0.7512079363991502,0.7535038722500171
EOS-3-38398,Cc1ccc(-c2nnc3cncc(CCc4cnc(-c5ncc(F)cn5)cn4)n23)cc1,FPXIRIYKYFWRND-UHFFFAOYSA-N,3,1,0.422,85,580,412.432,3.271,5,0.437,0.73,1.0,0.4114779658693715,0.4906877527242821,0.2059574395175108,0.2429751216503324,0.3377745699403742
EOS-3-38399,COc1nc(-c2nc(C)nn2C)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,FYQZLPAPKIIOSJ-UHFFFAOYSA-N,3,1,0.5,31,456,443.471,2.315,5,0.373,0.58,1.0,0.26909567541635254,0.09773147830854637,0.02744842711260366,0.012499143307518333,0.10169368103625523
EOS-3-38400,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)cnc1F,ZQCUVALAJFVXGJ-UHFFFAOYSA-N,3,1,0.454,65,552,451.853,2.791,5,0.362,0.6,0.996,0.6093053937358646,0.5789613460352272,0.29224350627098894,0.3308546364197108,0.45284122061544785
EOS-3-38401,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnn(C)n6)cnn5)n34)cn2)n1C,LDUZRCQBKLWYEW-UHFFFAOYSA-N,3,1,0.258,99,286,451.458,1.543,6,0.387,0.54,0.753,0.14877321636625318,0.06777294222465903,0.02228257144815297,0.015103488451785347,0.06348305462271263
EOS-3-38402,Cc1csc(-c2cc(Cl)cc(-c3nnc4cncc(OCc5cc(C)n(C)n5)n34)c2)n1,RXEQMYRTBZAVHF-UHFFFAOYSA-N,3,1,0.548,4,677,451.943,4.498,5,0.391,0.68,1.0,0.3118446302515249,0.4332550887533411,0.269883832499486,0.24298368857514907,0.31449181001987525
EOS-3-38403,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)nc1C#N,GERRPTVKVSZVEQ-UHFFFAOYSA-N,3,1,0.402,31,690,458.873,2.523,5,0.352,0.62,1.0,0.7103522719484614,0.5939277636899458,0.14422417928860257,0.15032382975807004,0.39970701117126994
EOS-3-38404,Fc1cc(CCOc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)ccc1Cl,CIABRIJKCYIDEM-UHFFFAOYSA-N,3,1,0.851,48,948,418.806,5.143,4,0.435,0.79,1.0,0.9957765060653828,0.9987235282023165,0.9909104927695155,0.9919470906723322,0.9943394044273868
EOS-3-38405,Fc1cc(OCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nnc1-c1ccccc1,NIWADNJCBMXCFZ-UHFFFAOYSA-N,3,1,0.378,14,700,449.396,4.299,5,0.382,0.67,0.962,0.5954269755328627,0.7504540470152834,0.7928089233088891,0.7512165033239668,0.7224766122952505
EOS-3-38406,Fc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)c1,GFSFUIIKDKOXMR-UHFFFAOYSA-N,3,1,0.563,11,922,412.428,4.009,5,0.419,0.79,1.0,0.8013929819751902,0.7889195394421219,0.6856195600027414,0.6949232403536426,0.742713830443424
EOS-3-38407,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ccn2)c1,STEVUTODDDKQOT-UHFFFAOYSA-N,3,1,0.68,11,159,412.428,4.009,5,0.419,0.79,1.0,0.8867024192995683,0.7889281063669386,0.6965766568432595,0.6949318072784594,0.7667847474470564
EOS-3-38408,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,AKSRFAVFVFLCGW-UHFFFAOYSA-N,3,1,0.478,65,804,446.446,2.751,5,0.352,0.62,1.0,0.6178980193269824,0.4332636556781578,0.22703207456651361,0.14539784798848604,0.35589789939003497
EOS-3-38409,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6c(C)nc(C)n6C)cn5)n34)nn2)n1,BWJMPGCSEFOSAB-UHFFFAOYSA-N,3,1,0.291,99,813,463.509,3.155,6,0.391,0.59,0.262,0.010083270509218012,0.015009252278802001,0.04785484202590638,0.03038688232472072,0.025833561784661778
EOS-3-38410,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1Br,FAOOOQFMHOZCBY-UHFFFAOYSA-N,3,1,0.371,0,862,491.349,3.473,5,0.445,0.92,1.0,0.2936227811664725,0.23292611884038106,0.24139880748406553,0.24000239873894866,0.2519875265574669
EOS-3-38411,Cc1cc(C#N)ncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nn4)n23)ncn1,ZLTHLBUVPYVDKR-UHFFFAOYSA-N,3,1,0.376,53,587,456.857,2.846,5,0.387,0.57,0.939,0.5455503392502228,0.6605698718388048,0.34342231512576243,0.33399869782742786,0.47088530601055445
EOS-3-38412,Cc1nc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)n1,VCTKPPCLRIXLHN-UHFFFAOYSA-N,3,1,0.333,94,515,461.464,4.215,6,0.384,0.62,0.999,0.23989959564114866,0.35332568021383043,0.5403502158865053,0.5511188403810569,0.42117358303063535
EOS-3-38413,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)c2)s1,TWHHTUDAUVJTSH-UHFFFAOYSA-N,3,1,0.441,65,466,450.915,3.683,5,0.386,0.6,0.981,0.4844081968336646,0.5001456377218834,0.2022822287711603,0.25776163388390105,0.36114942430265234
EOS-3-38414,Cc1ccc(-c2nnc3cncc(OCc4cc(C)ccc4-c4nc5ccccn5n4)n23)cc1,VTPGPPHAFKJPPL-UHFFFAOYSA-N,3,1,0.489,77,230,447.502,4.697,6,0.381,0.72,1.0,0.6434788568295524,0.4419248166678089,0.5060311150709341,0.46744568569666234,0.5147201185662394
EOS-3-38415,Cc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,NAMBZGUSVORPKC-UHFFFAOYSA-N,3,1,0.329,82,336,410.441,2.661,5,0.487,0.71,1.0,0.15157460078130355,0.037917209238571725,0.20596600644232746,0.1404890000685354,0.13398670413268454
EOS-3-38416,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccon5)cn4)n23)c(F)c1F,PEXNWFKXKVOVPO-UHFFFAOYSA-N,3,1,0.465,59,445,424.342,3.838,5,0.396,0.66,1.0,0.722637242135563,0.5891559865670619,0.9055153861969707,0.8825902953875677,0.7749747275717909
EOS-3-38417,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cccc(C)n5)cn4)n23)cn1,WLEXWMWYEKMSDU-UHFFFAOYSA-N,3,1,0.29,32,935,457.501,4.384,6,0.384,0.61,1.0,0.07505482831882668,0.07147385374545953,0.2814663148516209,0.2517048180385169,0.169924953738606
EOS-3-38418,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nn5)n34)nc2)cc1F,JWTGCKYPZKGYDP-UHFFFAOYSA-N,3,1,0.312,30,737,463.451,5.256,6,0.355,0.82,0.97,0.2825628812281543,0.4242598176958399,0.8531372078678637,0.8867795216229183,0.6116848571036941
EOS-3-38419,Clc1cnc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)n1,MXHYJFIGPBAUQG-UHFFFAOYSA-N,3,1,0.506,1,700,449.301,5.134,5,0.37,0.78,0.999,0.7729250908094031,0.8757710232335001,0.7169916386813789,0.8205486258652595,0.7965590946473855
EOS-3-38421,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnc(Cl)n6)cn5)n34)cn2)no1,ULHKGPLPHXVUKE-UHFFFAOYSA-N,3,1,0.322,86,812,468.868,3.717,6,0.352,0.68,0.999,0.20689980124734425,0.3533342471386471,0.18861798368857516,0.21401034884517853,0.24071559522993627
EOS-3-38422,N#Cc1cncc(-c2ccc(-c3cncc4nnc(-c5cccnc5C(F)F)n34)c(F)c2)n1,URQIMRWCWJFERS-UHFFFAOYSA-N,3,1,0.34,96,478,444.38,4.259,5,0.408,0.58,1.0,0.3118531971763416,0.5180505105887191,0.9033479542183538,0.8839267356589678,0.6542945994105955
EOS-3-38423,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)c(F)c1,ZLLCXLCDQGHNSH-UHFFFAOYSA-N,3,1,0.563,35,429,444.445,4.456,5,0.385,0.64,1.0,0.9252792817490234,0.8132067712973751,0.8516722637242136,0.830511959427044,0.855167569049414
EOS-3-38424,Fc1ccc(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)nn1,ASLVYXRPOKKJFK-UHFFFAOYSA-N,3,1,0.511,72,132,413.416,3.404,5,0.421,0.71,1.0,0.7133335617846618,0.69978925364951,0.4782657117401138,0.5011822356247002,0.5981426906997465
EOS-3-38425,Cn1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nn2)nc1Cl,RRHWYYXBENHPSK-UHFFFAOYSA-N,3,1,0.523,36,391,472.271,3.402,5,0.383,0.64,1.0,0.7042183537797272,0.8355493112192447,0.33269652525529436,0.4704955109313961,0.5857399252964155
EOS-3-38426,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cncnc4F)n23)nc(C)n1,TWNJNKZOMBIUBE-UHFFFAOYSA-N,3,1,0.366,31,330,432.423,2.281,5,0.372,0.57,1.0,0.4299225549996573,0.2434805702145158,0.10678671783976423,0.07801041738057707,0.21455006510862862
EOS-3-38427,Cc1ccc(-c2nnc3cncc(CCCOc4ccc(-c5ccccc5)cn4)n23)cn1,NPHCFLURORZOQK-UHFFFAOYSA-N,3,1,0.409,1,347,422.492,4.568,5,0.358,0.81,1.0,0.36689568912343223,0.4105270372147214,0.3660047289424988,0.35966520457816464,0.37577316496470425
EOS-3-38428,Cc1n[nH]c(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)n1,XNYAJIVIOTUUTD-UHFFFAOYSA-N,3,1,0.598,59,607,453.84,4.395,5,0.424,0.59,1.0,0.932689671715441,0.9320128846549243,0.8785038722500171,0.8854430813515181,0.9071623774929751
EOS-3-38429,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,QWXACGPGEVPISF-UHFFFAOYSA-N,3,1,0.342,69,152,441.451,4.771,6,0.389,0.66,1.0,0.3319940374203276,0.41053560413953805,0.6882924405455417,0.694940374203276,0.5314406140771708
EOS-3-38430,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)c1,ZPHBXAOAMKZPLO-UHFFFAOYSA-N,3,1,0.333,64,449,452.478,4.573,6,0.387,0.65,0.987,0.22613254746076347,0.3439277636899459,0.45410698375711056,0.5378658076896717,0.39050827564937285
EOS-3-38431,Cc1cnc(-c2ccnc(-c3nnc4cncc(Oc5ccc(CF)c(F)c5)n34)c2)cn1,KOPJVXXXKNATQO-UHFFFAOYSA-N,3,1,0.421,18,181,431.406,4.353,5,0.408,0.61,1.0,0.7468816393667329,0.6127064628880817,0.7300733328764307,0.6630200123363718,0.6881703618669043
EOS-3-38432,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)c2)nc1,UZRDAFJISJMYKY-UHFFFAOYSA-N,3,1,0.484,81,218,476.475,4.423,6,0.348,0.76,1.0,0.5402388458638887,0.5316804879720376,0.5894986635597286,0.5738811596189431,0.5588247892536495
EOS-3-38433,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)cnn2)s1,JMOHLSXDLHGQMB-UHFFFAOYSA-N,3,1,0.376,92,875,422.861,3.854,5,0.402,0.69,1.0,0.4599324926324447,0.5599427729422246,0.2960043862655061,0.33086320334452746,0.4116857137961757
EOS-3-38434,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)c1,NVELGPSGEWETAX-UHFFFAOYSA-N,3,1,0.457,65,349,446.902,3.565,5,0.368,0.64,1.0,0.43907203070385853,0.4465937906928929,0.4747961071893633,0.42962271263107393,0.44752116030429717
EOS-3-38435,CCn1cncc1-c1ccc(-c2nnc3cncc(OC4Cc5ccccc5C4)n23)nc1C,CTTOXDSTYUYCAO-UHFFFAOYSA-N,3,1,0.381,26,440,437.507,3.924,6,0.414,0.63,0.886,0.33448701254197793,0.20777362757864437,0.3850747035844013,0.3436450551709958,0.31774509971900483
EOS-3-38436,Fc1ncccc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1,MWSPJLNFVCYVOQ-UHFFFAOYSA-N,3,1,0.455,97,91,433.834,4.015,5,0.386,0.63,1.0,0.8712990884791995,0.8966743197861695,0.8097800013707079,0.809959906791858,0.8469283291069838
EOS-3-38437,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)s5)n34)nc2)nc1,ZWOGKUMZCWPEML-UHFFFAOYSA-N,3,1,0.333,76,368,433.5,5.039,6,0.387,0.76,1.0,0.04821465286820643,0.14486669864985266,0.417526214789939,0.4580649030224111,0.26716811733260226
EOS-3-38438,Cc1nsc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)c(Cl)c4)n23)n1,PNYZECCCUIYTAC-UHFFFAOYSA-N,3,1,0.467,4,554,454.878,3.78,5,0.395,0.62,1.0,0.5582893564526078,0.6653930505105887,0.26989239942430265,0.3663217051607155,0.46497412788705367
EOS-3-38439,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(C(F)(F)F)nc(Cl)n5)n34)nc2)n1C,HWJVFHFJYFPNNA-UHFFFAOYSA-N,3,1,0.307,50,243,471.834,4.024,5,0.366,0.69,0.999,0.27696011239805357,0.3960917688986361,0.8075783016928243,0.6542389143992873,0.5337172743472003
EOS-3-38440,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(Cl)n2)nc1,VWNJALYOQHNZNQ-UHFFFAOYSA-N,3,1,0.568,58,262,448.849,3.452,5,0.364,0.61,1.0,0.8792491947090673,0.8785381399492838,0.3066787745870742,0.3728154341717497,0.6093203858542937
EOS-3-38441,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccnn6C)cc5)n34)nn2)n(C)n1,BEAPNRKXKUTQBZ-UHFFFAOYSA-N,3,1,0.367,67,622,464.493,3.483,6,0.381,0.65,1.0,0.3529658693715304,0.19850421492700981,0.20950414639161127,0.14049756699335206,0.2253679494208759
EOS-3-38442,CCn1cc(-c2cncc(C)n2)cc1-c1nnc2cncc(OCCc3cncnn3)n12,GXPAAZSPRRZUCD-UHFFFAOYSA-N,3,1,0.346,31,828,428.46,2.185,5,0.384,0.6,1.0,0.12963470632581728,0.010528750599684738,0.04308306490302241,0.03238297580700432,0.053907374408882186
EOS-3-38443,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cnccn5)c4)n23)cc1,ZFLUUYDCFSQMIE-UHFFFAOYSA-N,3,1,0.472,56,415,463.465,2.413,6,0.362,0.58,1.0,0.48199232403536424,0.18513981221300801,0.1659841683229388,0.13379823178671785,0.24172863408950723
EOS-3-38444,COc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(C#N)c(C)c4)n23)nc1,FDGLGBZTRNWZCP-UHFFFAOYSA-N,3,1,0.333,96,139,419.448,4.104,5,0.432,0.65,1.0,0.3194520594887259,0.2582585155232678,0.7091700363237612,0.589387293537112,0.4690669762182167
EOS-3-38445,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)o1,MTBNDRNWAWQDTB-UHFFFAOYSA-N,3,1,0.324,38,126,419.448,4.514,6,0.418,0.7,1.0,0.14568055650743608,0.05618189294770749,0.47151497498457956,0.45486087314097734,0.28205957439517515
EOS-3-38446,Clc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3ccc(-c4ncon4)cn3)n12,TUWXOIWBFLVGSR-UHFFFAOYSA-N,3,1,0.293,42,369,459.882,4.075,6,0.383,0.63,1.0,0.22323692687272975,0.30462271263107393,0.3179614145706257,0.41048420259063806,0.31407631416626686
EOS-3-38447,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cccnc4F)n23)c1,WHYRZZZKQAGCIN-UHFFFAOYSA-N,3,1,0.556,15,438,415.432,3.347,5,0.396,0.73,1.0,0.7582842162977178,0.6079346857651977,0.4853848262627647,0.4328096086628744,0.5711033342471387
EOS-3-38448,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccn2)s1,HDMLMOUWPBVRAH-UHFFFAOYSA-N,3,1,0.512,75,265,468.905,3.822,5,0.37,0.67,0.995,0.7133421287094784,0.7047409361935439,0.30668734151189087,0.36944863271879924,0.5235547597834281
EOS-3-38449,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)c1,YXSASRRJQYVEPW-UHFFFAOYSA-N,3,1,0.471,24,28,441.398,3.701,5,0.384,0.64,0.998,0.8014015489000068,0.7762490576382701,0.7043639915016106,0.6890463299294085,0.742765231992324
EOS-3-38450,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)nc1,OQAKVTSQNKTPHH-UHFFFAOYSA-N,3,1,0.37,32,327,462.904,5.026,6,0.362,0.76,1.0,0.18459152902474127,0.3337502570077445,0.6828952779110411,0.7589181687341512,0.49003880816941947
EOS-3-38451,Cn1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cn5)n34)n2)n1,JIXFFEWMPSXVIW-UHFFFAOYSA-N,3,1,0.378,80,816,465.481,2.356,6,0.364,0.58,1.0,0.2769686793228703,0.13381536563635119,0.08978137207867863,0.05746693167020766,0.13950808717702695
EOS-3-38453,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1-c1cccs1,AQSOWHUVXDBHDC-UHFFFAOYSA-N,3,1,0.404,6,584,472.469,3.208,6,0.388,0.65,1.0,0.5276797340826537,0.6263621410458502,0.15034953053252004,0.1528682064286204,0.36431490302241104
EOS-3-38454,FCc1nc(-c2cncc3nnc(-c4ccccc4)n23)n(-c2ccc(F)c(-c3ncccn3)c2)n1,XARGENUMVSQLGI-UHFFFAOYSA-N,3,1,0.358,10,298,467.443,4.105,6,0.376,0.62,0.983,0.09085223768076212,0.23800630525666508,0.2555170995819341,0.36945719964361595,0.23845821054074434
EOS-3-38455,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)c1F,RVTFVUZGGINOAA-UHFFFAOYSA-N,3,1,0.325,30,757,464.439,4.651,6,0.375,0.66,1.0,0.29888287300390654,0.41054417106435476,0.6233037488862998,0.6949489411280927,0.5069199335206634
EOS-3-38456,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)ns1,GMRDVPMGADDSRA-UHFFFAOYSA-N,3,1,0.6,4,921,435.9,4.246,5,0.407,0.63,1.0,0.3830357754780344,0.5180590775135357,0.3179699814954424,0.3694657665684326,0.3971326502638613
EOS-3-38457,Cn1c(-c2cc(COc3cncc4nnc(-c5cccnc5)n34)cnn2)nn1C1CCCCC1,CDFNTTYWWPWNIZ-UHFFFAOYSA-N,3,1,0.402,92,986,456.514,3.263,6,0.382,0.67,0.377,0.2879514769378384,0.17674422589267358,0.0006168185868000823,0.0023901720238503187,0.1169256733602906
EOS-3-38458,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(OC)c1,VCAWYCSWZJATQR-UHFFFAOYSA-N,3,1,0.447,16,375,462.901,3.706,5,0.36,0.67,1.0,0.4894027140017819,0.4419333835926256,0.35864574052498116,0.30918031663354123,0.39979053868823244
EOS-3-38459,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccnnc6)n5)n34)cn2)cc1,DDGFMUPIXJVQJP-UHFFFAOYSA-N,3,1,0.375,32,20,458.485,4.381,6,0.375,0.62,1.0,0.19861558494962647,0.11665581522856555,0.5831848399698444,0.5078815708313343,0.3515844527448427
EOS-3-38460,Fc1ccccc1-c1nnc2cncc(-c3cncc(-c4ncc(Cl)cc4F)c3)n12,VULBKHSHYCPTTO-UHFFFAOYSA-N,3,1,0.443,45,575,420.81,4.847,5,0.417,0.75,1.0,0.3391045850181619,0.5364265643204715,0.9228377081762731,0.9533530943732438,0.6879304879720376
EOS-3-38461,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2F)n[nH]1,YJXNUNRBUKJHPM-UHFFFAOYSA-N,3,1,0.558,47,619,421.461,3.707,5,0.449,0.64,1.0,0.7843876362141046,0.7632958673154684,0.36601329586731546,0.34683195120279625,0.5651321876499211
EOS-3-38462,Fc1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)c(F)n1,QUADFJRDGJLCBO-UHFFFAOYSA-N,3,1,0.261,86,596,467.403,2.836,6,0.356,0.59,0.894,0.2852100609965047,0.27898190665478717,0.332705092180111,0.39487526557466934,0.32294308135151806
EOS-3-38463,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4nc5ccccc5s4)n23)c1,FEJLBGNZPSFXEQ-UHFFFAOYSA-N,3,1,0.25,64,365,421.489,4.833,6,0.407,0.79,0.991,0.06925502021794257,0.0820197381947776,0.20229079569597697,0.3060191213761908,0.164896168871222
EOS-3-38465,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5nc(C)c(F)[nH]5)c4)n23)c(C)n1,OTBBUMKVPXETIP-UHFFFAOYSA-N,3,1,0.484,4,506,429.459,4.22,5,0.45,0.61,1.0,0.6434874237543692,0.5642262353505586,0.4954680967719827,0.3631862106778151,0.5165919916386814
EOS-3-38466,OCc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)n5)n34)c2)cn1,USEBUDCPEJQGMG-UHFFFAOYSA-N,3,1,0.432,46,181,448.393,2.388,5,0.39,0.59,0.997,0.5455589061750394,0.4860530463984648,0.5370176821328216,0.46421595504077856,0.5082113974367761
EOS-3-38467,Cc1ncnc(C)c1-c1ccnc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,BVPSBDOSFDLVMP-UHFFFAOYSA-N,3,1,0.379,46,564,462.876,4.027,5,0.385,0.62,0.999,0.6618206428620382,0.5504506202453567,0.5863974367760949,0.5478805428003564,0.5866373106709615
EOS-3-38468,Cc1ncc(-c2cc(C#N)cc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)c2)nn1,LKGFIXWYNPLJHE-UHFFFAOYSA-N,3,1,0.447,16,772,457.404,3.076,5,0.366,0.59,1.0,0.7927660886848057,0.689860187786992,0.7453310259749161,0.6975875539716263,0.731386214104585
EOS-3-38469,Cc1coc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)n1,HIJMTLNGLMTPIK-UHFFFAOYSA-N,3,1,0.438,31,481,434.847,3.215,5,0.397,0.59,0.683,0.5402474127887054,0.43327222260297443,0.1597303132067713,0.18257830169282435,0.32895706257281887
EOS-3-38470,Fc1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1ccccn1,XABBUJLMNPFOKS-UHFFFAOYSA-N,3,1,0.446,59,910,450.836,4.759,5,0.359,0.71,0.988,0.8754454800904667,0.8615499280378316,0.8940785415667192,0.9082996367623878,0.8848433966143513
EOS-3-38471,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2Cl)nn1,WTWPFXZNUYCHEO-UHFFFAOYSA-N,3,1,0.518,16,214,456.318,4.591,5,0.382,0.71,1.0,0.7405763827016654,0.7371667466246317,0.6318535398533343,0.7196302515249127,0.707306730176136
EOS-3-38472,Fc1cc(C(F)(F)F)ccc1CCc1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12,KMOCWBRNDZUQJO-UHFFFAOYSA-N,3,1,0.507,66,225,455.337,5.148,4,0.4,0.74,1.0,0.6554554177232541,0.8390017819203619,0.9995802206839832,0.9985436227811665,0.8731452607771913
EOS-3-38473,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)ccn1,DRTPMKYOXKMTCY-UHFFFAOYSA-N,3,1,0.518,97,666,416.391,4.106,5,0.402,0.76,1.0,0.94986635597286,0.8554417106435473,0.8747258584058666,0.8582859296826811,0.8845799636762387
EOS-3-38474,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)cc1F,QCADCWJXUYAKLJ-UHFFFAOYSA-N,3,1,0.724,88,485,453.449,4.954,5,0.364,0.79,1.0,0.9862072510451648,0.9709324240970462,0.9208758823932561,0.9138510040435885,0.947966640394764
EOS-3-38475,NC#Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c1,ZXGSBNWEHSCVDE-UHFFFAOYSA-N,3,1,0.392,83,3,422.879,4.441,5,0.343,0.8,1.0,0.24802960729216642,0.4773404838599136,0.9066119525735042,0.9203790007538893,0.6380902611198684
EOS-3-38476,FCc1cc(F)cc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)c1,KPAAMUCZJBIPCE-UHFFFAOYSA-N,3,1,0.412,46,160,465.851,4.484,5,0.365,0.69,1.0,0.5301898430539373,0.5983482968953464,0.8156654787197588,0.8244208758823932,0.6921561236378589
EOS-3-38477,CCc1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c(F)c(C)n1,KUFZNPKTSBWQMG-UHFFFAOYSA-N,3,1,0.293,61,336,412.432,3.715,5,0.444,0.75,1.0,0.3485796038653965,0.34861387156466317,0.41753478171475567,0.394883832499486,0.3774030224110754
EOS-3-38478,Cc1cccc(Cc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)n1,GNMZPBMMKIAHRS-UHFFFAOYSA-N,3,1,0.307,85,238,414.86,3.591,5,0.414,0.74,0.514,0.1930470838187924,0.22300561990267972,0.3660218627921321,0.4072459050099376,0.2973301178808855
EOS-3-38479,c1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cn[nH]c6)cnn5)n34)cn2)cs1,LPJVLKGOFRJCNU-UHFFFAOYSA-N,3,1,0.256,70,719,424.453,3.157,6,0.458,0.59,0.064,0.08350181618806113,0.17228085806318963,0.2591066410801179,0.2814491810019875,0.19908462408333905
EOS-3-38480,COc1ccn(-c2ccc(-c3cncc4nnc(-c5nc(C)ncc5-c5cccnc5)n34)nc2)n1,OQFSDFMPCNOXNT-UHFFFAOYSA-N,3,1,0.255,86,392,462.477,3.208,6,0.38,0.6,0.999,0.09795421835377972,0.0677815091494757,0.16285724076485505,0.11836920019189912,0.1117405421150024
EOS-3-38482,Cn1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)s5)n34)cn2)n1,VHYVWLWAVSXNMZ-UHFFFAOYSA-N,3,1,0.379,31,105,435.433,0.511,5,0.397,0.56,0.996,0.20690836817216093,0.08865053800287849,0.003992186964567199,0.0009337948050167911,0.07512122198615587
EOS-3-38483,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1cnccn1,HBCSKRQHNUDLBA-UHFFFAOYSA-N,3,1,0.56,35,265,465.851,4.196,5,0.371,0.63,1.0,0.9711808649167295,0.9601123980535947,0.8635545884449318,0.8769532588582003,0.9179502775683641
EOS-3-38484,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)n1C,IFMMBCVVCMZDFZ-UHFFFAOYSA-N,3,1,0.552,37,619,463.904,4.309,5,0.373,0.67,1.0,0.8093259543554245,0.8492649578507299,0.614299910903982,0.6106932355561647,0.7208960146665753
EOS-3-38485,Cc1ccccc1-c1ncoc1-c1cncc2nnc(-c3ccc(-c4cnnn4C)cn3)n12,QBYXFOKQUDQAGY-UHFFFAOYSA-N,3,1,0.306,70,179,435.451,3.612,6,0.413,0.58,1.0,0.039493523404838596,0.048771502981289835,0.20951271331642793,0.21088342128709478,0.1271652902474128
EOS-3-38486,Fc1ccc(F)c(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)c1,LVYRLPSVADNGGM-UHFFFAOYSA-N,3,1,0.474,44,130,465.851,4.196,5,0.347,0.71,1.0,0.8465835103831129,0.8092402851072579,0.8283359605236105,0.8599307792474813,0.8360226338153656
EOS-3-38487,COc1nccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)c(F)c1,OZHFXKHKOQLWJV-UHFFFAOYSA-N,3,1,0.406,73,379,464.848,3.418,5,0.349,0.67,1.0,0.7582927832225345,0.8092488520320745,0.3998012473442533,0.3728240010965664,0.5850417209238572
EOS-3-38488,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)nn1C,SBSAVEXBMDWVEB-UHFFFAOYSA-N,3,1,0.37,31,564,437.414,2.66,5,0.403,0.56,0.998,0.3243523404838599,0.1938780755260092,0.3512610513330135,0.3153399355767254,0.296207850729902
EOS-3-38489,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)nc4)n23)cn1,MDICOQDAZUFXSF-UHFFFAOYSA-N,3,1,0.57,1,881,464.407,4.971,5,0.351,0.79,1.0,0.8904890000685354,0.8492735247755465,0.9544325269001439,0.8712733877047495,0.8913671098622438
EOS-3-38490,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)nn1,FJQUFPWPNXFWAH-UHFFFAOYSA-N,3,1,0.313,10,342,449.413,2.696,6,0.395,0.51,0.01,0.2743043657048866,0.27382461791515317,0.14423274621341922,0.23406551984099788,0.23160681241861422
EOS-3-38491,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccncn6)n5)n34)cc2F)cn1,NARYVKOVMSSIQS-UHFFFAOYSA-N,3,1,0.311,94,136,478.451,3.31,6,0.364,0.67,1.0,0.542937427181139,0.5842471386471112,0.36985127818518265,0.32426667123569325,0.4553256288122815
EOS-3-38492,Cc1nnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)s1,HYBGBRTUSGTDMH-UHFFFAOYSA-N,3,1,0.552,37,619,467.917,4.427,5,0.365,0.69,1.0,0.680213830443424,0.7591152080049346,0.47827427866493044,0.5414639161126722,0.6147668083064903
EOS-3-38493,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)s1,PPHHGAKPBAJQIZ-UHFFFAOYSA-N,3,1,0.477,72,208,454.878,3.78,5,0.395,0.63,1.0,0.7196216846000959,0.7762576245630869,0.31029401685970803,0.3663302720855322,0.5431258995271058
EOS-3-38494,N#Cc1cnn(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)n2)n1,XQOLBJDWQMUYIY-UHFFFAOYSA-N,3,1,0.286,76,935,443.434,2.763,6,0.403,0.53,1.0,0.027833938729353712,0.08202830511959427,0.12365499280378316,0.16336268932903844,0.0992199814954424
EOS-3-38495,c1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnco5)nn4)n23)cc1,YHIGWWCZAGNFAS-UHFFFAOYSA-N,3,1,0.329,30,541,419.408,3.36,6,0.423,0.61,0.993,0.12964327325063396,0.09158899321499554,0.1628658076896717,0.23119560002741416,0.15382341854567882
EOS-3-38496,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)c2)s1,PIQUWIQGRXUGLX-UHFFFAOYSA-N,3,1,0.463,87,142,451.903,3.078,5,0.383,0.59,1.0,0.4772205469124803,0.5735727503255431,0.07128538139949284,0.09637790418751285,0.3046141457062573
EOS-3-38497,Clc1cc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)c[nH]2)nnc1Cl,QPAWAMMFPMTYFR-UHFFFAOYSA-N,3,1,0.438,37,795,454.281,3.295,5,0.415,0.58,0.874,0.4670259063806456,0.4378041258309917,0.2887739017202385,0.39489239942430265,0.3971240833390446
EOS-3-38498,Fc1ccc(-c2nnc3cncc(OCc4cnn(-c5nccnc5Cl)n4)n23)nc1,DBUNMCGBWOEMQJ-UHFFFAOYSA-N,3,1,0.371,7,128,424.787,1.928,5,0.416,0.61,0.463,0.2638527174285518,0.2789904735796039,0.06504866013295868,0.13162223288328423,0.18487852100609967
EOS-3-38499,CCn1cc(COc2cncc3nnc(-c4cccc(-c5cncn5CC)c4)n23)nn1,ISWKYRVMWXHECC-UHFFFAOYSA-N,3,1,0.48,36,448,415.461,2.865,5,0.403,0.71,1.0,0.08149715578096087,0.10766911109588102,0.06934068946610925,0.05061339181687342,0.07728008703995615
EOS-3-38500,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,GUEYOCDHLKDPOF-UHFFFAOYSA-N,3,1,0.512,13,145,418.819,4.833,5,0.416,0.73,1.0,0.7816547871975875,0.8209170036323761,0.84998457953533,0.8679494208758823,0.830126447810294
EOS-3-38501,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5C)n34)c(F)c2)n(C)n1,BKGHLIMNNLPEGK-UHFFFAOYSA-N,3,1,0.346,52,341,481.535,4.507,6,0.399,0.78,0.999,0.21238263313001166,0.24348913713933246,0.38508327050921803,0.38882701665410185,0.307445514358166
EOS-3-38502,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)cnn4)n23)c1,NPFVNXYSZRJPOR-UHFFFAOYSA-N,3,1,0.426,65,65,415.392,2.194,5,0.411,0.67,1.0,0.7196302515249127,0.5688609416763758,0.20597457336714414,0.22837708176273044,0.4307107120827907
EOS-3-38503,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c(F)cn2)nn1C,POVKLYOUEYLKMK-UHFFFAOYSA-N,3,1,0.44,55,45,451.853,3.057,5,0.375,0.6,1.0,0.5429459941059557,0.670284764580906,0.24481701048591598,0.28145774792680417,0.4348763792748954
EOS-3-38504,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnnc(F)c6)ncn5)n34)nc2)cs1,CAUCCRXAKOZCQB-UHFFFAOYSA-N,3,1,0.266,70,566,468.481,3.671,6,0.381,0.63,0.421,0.08828216023576177,0.18936330614762525,0.28147488177643754,0.27240250839558633,0.20788071413885273
EOS-3-38505,N#Cc1cccc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(F)c2)c1,OVBMKMWLEGIFMW-UHFFFAOYSA-N,3,1,0.386,41,611,475.447,4.441,6,0.387,0.74,1.0,0.8276334726886437,0.727691727777397,0.7824600781303543,0.7461791515317662,0.7709911075320404
EOS-3-38506,COc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3ccc(C)nn3)n12,GBPZXFXRFLDSRG-UHFFFAOYSA-N,3,1,0.469,58,710,458.457,3.116,5,0.363,0.59,0.906,0.6585395106572545,0.5456103077239394,0.15642348022753752,0.11617606743883216,0.36918734151189087
EOS-3-38507,Cc1ccccc1-c1nnc2cncc(OCc3ccc(-c4ccnn4C)cc3F)n12,ASIIEPVSQDZKAT-UHFFFAOYSA-N,3,1,0.506,43,909,414.444,4.218,5,0.431,0.78,1.0,0.6554639846480708,0.5599513398670414,0.7754523336303201,0.7030361181550271,0.6734759440751148
EOS-3-38508,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc6c(c5)OCO6)n34)cn2)ccn1,HVFCZYHFTDLHFD-UHFFFAOYSA-N,3,1,0.458,96,697,412.384,3.783,6,0.417,0.8,1.0,0.4390805976286752,0.47734905078473033,0.8034490439311904,0.7537523130697005,0.6184077513535741
EOS-3-38509,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1,CZDONPMGLBTYKC-UHFFFAOYSA-N,3,1,0.545,84,672,446.873,4.662,5,0.377,0.67,1.0,0.8830015077787677,0.8890069220752519,0.8386591049276951,0.863134809128915,0.8684505859776575
EOS-3-38510,Fc1ncccc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,JLQNQSJHAMVWNC-UHFFFAOYSA-N,3,1,0.5,27,430,449.396,4.299,5,0.357,0.69,1.0,0.8887242135563018,0.8644112809265986,0.8893324652182852,0.8205571927900761,0.8657562881228154
EOS-3-38511,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cccc(F)n5)c(Cl)nn4)n23)c1,VEQMCNUBXOIDSO-UHFFFAOYSA-N,3,1,0.42,54,814,466.839,3.591,5,0.35,0.65,0.846,0.8250548283188267,0.842557055719279,0.5268573093002535,0.6252655746693166,0.704933692001919
EOS-3-38512,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)c(F)c1,UXGLCJWICAFSDK-UHFFFAOYSA-N,3,1,0.451,7,817,414.404,3.065,5,0.432,0.7,1.0,0.6554725515728874,0.7417329175519156,0.4954766636967994,0.454869440065794,0.5868878932218491
EOS-3-38513,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnnn6C)cc5)n34)nn2)n(C)n1,SYWDTZQDBQTUSP-UHFFFAOYSA-N,3,1,0.374,67,622,465.481,2.878,6,0.378,0.62,1.0,0.27183709135768624,0.18097628675210747,0.12107634843396614,0.08317627304502775,0.1642664998971969
EOS-3-38514,Cc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)n4)n23)c1,MXVUOCMKJATIEO-UHFFFAOYSA-N,3,1,0.375,46,62,434.41,3.147,5,0.392,0.58,1.0,0.6406089370159688,0.477357617709547,0.45754232060859434,0.3854345144267014,0.4902358474402029
EOS-3-38515,COc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCc3cc(Cl)ncn3)n12,XTFYINQRLSRCMK-UHFFFAOYSA-N,3,1,0.473,24,710,452.887,3.341,5,0.358,0.65,1.0,0.47960215201151396,0.559959906791858,0.19886402576930984,0.16613837296963882,0.35114111438558016
EOS-3-38516,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5nccs5)n34)ccn2)cn1,WZDAFGQQAABWAV-UHFFFAOYSA-N,3,1,0.588,4,43,417.454,2.776,5,0.449,0.67,1.0,0.35297443629634706,0.39610033582345283,0.2663456925502022,0.20779932835309436,0.3058049482557741
EOS-3-38517,CCCn1cncc1-c1cc(-c2nnc3cncc(Oc4ncccc4Cl)n23)n(C)n1,CVNIVFKGBSWFEZ-UHFFFAOYSA-N,3,1,0.317,31,105,435.879,3.639,5,0.401,0.62,1.0,0.26386128435336853,0.2329346857651977,0.07357275032554314,0.09243711877184566,0.16570145980398876
EOS-3-38518,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c(Cl)n1,DYRQLLLIELTRET-UHFFFAOYSA-N,3,1,0.483,59,910,453.84,4.097,5,0.373,0.65,0.999,0.7758806798711535,0.7417414844767323,0.7731992324035364,0.7878229730655884,0.7696610924542526
EOS-3-38519,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnn5C)c4)n23)cc1,CJZXWCMCOZGFPC-UHFFFAOYSA-N,3,1,0.506,40,2,463.505,3.566,6,0.372,0.62,1.0,0.4460797752038928,0.17675279281749023,0.49900623672126654,0.37583955863203344,0.3744195908436708
EOS-3-38520,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccsc5)c4)n23)cn1,LFBRMIXBEGTSSZ-UHFFFAOYSA-N,3,1,0.303,42,151,440.467,4.302,6,0.38,0.62,0.725,0.023199232403536427,0.19388664245082585,0.5770166541018436,0.5893958604619286,0.34587459735453363
EOS-3-38521,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2F)n[nH]1,AZYTZVBAMWFMON-UHFFFAOYSA-N,3,1,0.588,35,393,429.419,2.211,5,0.423,0.63,1.0,0.8600849838941813,0.7140274826948119,0.38871564663148517,0.340415324515112,0.5758108594338975
EOS-3-38522,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)ccn2)s1,IRUZQMJRCFPGLB-UHFFFAOYSA-N,3,1,0.494,75,43,453.89,4.385,5,0.39,0.7,1.0,0.5980741553012131,0.6558409293400042,0.5370262490576383,0.547889109725173,0.5847076108560072
EOS-3-38523,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)cn1,WJDRHABIWFPOJW-UHFFFAOYSA-N,3,1,0.59,75,496,418.457,4.07,5,0.387,0.73,1.0,0.8066273730381742,0.6947176341580427,0.6054845452676307,0.5802892193818107,0.6717796929614145
EOS-3-38524,Cc1nc(-c2ncn(C)n2)ccc1-c1nnc2cncc(OCc3ccc(F)c(C#N)n3)n12,PJIACZBTAOVDJR-UHFFFAOYSA-N,3,1,0.453,36,677,442.418,2.275,5,0.402,0.57,0.998,0.47722911383729694,0.5599684737166747,0.18216708930162429,0.14540641491330272,0.34119277294222466
EOS-3-38525,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)cn1,WJHAYLCTEWGXGX-UHFFFAOYSA-N,3,1,0.568,36,895,410.401,1.827,5,0.425,0.8,1.0,0.6677746556096223,0.47736618463436364,0.20229936262079365,0.2167346309368789,0.39104370845041464
EOS-3-38526,Cn1cc(-c2cccc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)c2)cn1,DRCYFTHUAHBCIL-UHFFFAOYSA-N,3,1,0.549,13,15,437.29,5.291,5,0.382,0.79,1.0,0.46219416078404496,0.5842557055719279,0.9022171201425536,0.920387567678706,0.7172636385443081
EOS-3-38527,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncn5)n34)cn2)s1,HHPNWGOZKQDYKS-UHFFFAOYSA-N,3,1,0.478,58,579,417.458,2.425,5,0.41,0.68,1.0,0.48694400657939824,0.4641302857926119,0.032006031115070936,0.026634569255020217,0.25242872318552534
EOS-3-38528,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5snnc5C(F)F)n34)cn2)n(C)n1,IVEOOWCXLKREKQ-UHFFFAOYSA-N,3,1,0.415,92,185,456.442,2.658,5,0.379,0.62,1.0,0.23433109451031459,0.3913713933246522,0.04456514289630594,0.03766020149407169,0.17698195805633612
EOS-3-38529,CCn1nc(-c2ccc(Cl)nc2)nc1-c1cncc2nnc(-c3cc(Cl)ccc3F)n12,HSSMMRSJKSLXPO-UHFFFAOYSA-N,3,1,0.341,22,844,455.284,4.578,5,0.369,0.72,1.0,0.19862415187444316,0.4596326502638613,0.39611746967308614,0.6459032965526694,0.42506939209101496
EOS-3-38530,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3ccn(C)c3Cl)n12,RFIJUTYGURCSOW-UHFFFAOYSA-N,3,1,0.534,15,604,463.929,3.814,5,0.365,0.65,1.0,0.6347577273661846,0.5135528750599685,0.5303269138510041,0.4137482009457885,0.5230964293057364
EOS-3-38531,Fc1cnc(F)c(COc2cncc3nnc(-c4cc(-c5cccnc5F)ncn4)n23)c1,YMOHQVBLDZFJRT-UHFFFAOYSA-N,3,1,0.4,46,395,436.357,3.035,5,0.387,0.55,0.38,0.7701665410184361,0.6458433280789527,0.719801590021246,0.7003889383866767,0.7090500993763279
EOS-3-38532,COc1nc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1ncccn1,NFZSPYLKDMNROK-UHFFFAOYSA-N,3,1,0.407,18,896,427.428,2.063,5,0.381,0.57,1.0,0.48441676375848125,0.22806010554451375,0.030789527791104106,0.015112055376602014,0.18959461311767528
EOS-3-38533,Cc1ccc(-c2nnc3cncc(CCc4nc(-c5ncc(F)cn5)nn4C)n23)cc1,WICRSDNVPSOOAS-UHFFFAOYSA-N,3,1,0.391,85,580,415.436,2.61,5,0.435,0.78,0.998,0.245125419779316,0.309702899047358,0.02037214721403605,0.04266328558700569,0.15446593790692895
EOS-3-38534,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ncn2)nc1,GPQURBYJDKQUGB-UHFFFAOYSA-N,3,1,0.423,31,842,429.419,2.502,5,0.401,0.54,0.899,0.6493986018778699,0.49069631964909877,0.15035809745733672,0.14776231923788638,0.3595538345555479
EOS-3-38535,c1cc(-c2nncs2)cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,CTNYWXUWYPXNIY-UHFFFAOYSA-N,3,1,0.262,98,727,424.453,3.157,6,0.458,0.56,1.0,0.09313960660681242,0.15256836406003702,0.17256356658213967,0.2018624494551436,0.15503349667603317
EOS-3-38536,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C)nc(-c5cnc(C)n5C)c4)n23)cc1,XNOXVFKTDCNAIS-UHFFFAOYSA-N,3,1,0.5,89,398,482.548,3.532,5,0.378,0.73,1.0,0.41592419984922213,0.1565091494757042,0.18547392228085807,0.06345521211705846,0.2053406209307107
EOS-3-38537,Fc1ncccc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cs1,OPDDQEAAFGUYIO-UHFFFAOYSA-N,3,1,0.467,46,267,439.863,4.076,5,0.381,0.7,1.0,0.5836217531354945,0.7047495031183606,0.4136710986224385,0.4856761017065314,0.5469296141457063
EOS-3-38538,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnc(F)cn6)cnn5)n34)cc2)c1,YMKBOCZPJCNCFF-UHFFFAOYSA-N,3,1,0.337,38,572,465.427,4.046,6,0.384,0.61,0.997,0.28521862792132135,0.3867538208484682,0.7091786032485778,0.7357189363306148,0.5292174970872455
EOS-3-38539,COc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)c1,SLPNDLNSSBVRQG-UHFFFAOYSA-N,3,1,0.484,11,173,458.909,4.532,5,0.331,0.76,1.0,0.6739685422520731,0.7371753135494483,0.6692224659036392,0.6341323418545679,0.6786246658899322
EOS-3-38540,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3ccc(C)nn3)n12,KGROQYYPGAMFMT-UHFFFAOYSA-N,3,1,0.435,92,456,429.444,2.273,5,0.4,0.56,1.0,0.2451339867041327,0.10101261051333013,0.0822339113151943,0.03137207867863752,0.11493814680282366
EOS-3-38541,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)cn5)c4)n23)nn1,JJZRCPIXOWPCOP-UHFFFAOYSA-N,3,1,0.506,4,506,413.416,3.67,5,0.434,0.71,1.0,0.5980827222260298,0.5456188746487561,0.5200551709958193,0.4885631553697485,0.5380799808100885
EOS-3-38542,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)s2)nc1,WOYNQWIQQRLWSR-UHFFFAOYSA-N,3,1,0.348,38,126,433.5,5.039,6,0.387,0.75,1.0,0.12965184017545062,0.19389520937564253,0.457550887533411,0.47050407785621273,0.3129005037351792
EOS-3-38543,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)c4)n23)c(F)n1,BXODUDCNLLRGKH-UHFFFAOYSA-N,3,1,0.462,72,433,413.416,3.67,5,0.406,0.8,1.0,0.7583013501473511,0.7047580700431773,0.5895072304845452,0.5348845178534714,0.6468627921321362
EOS-3-38544,COc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2)s1,WGJXBIQMKAAJIU-UHFFFAOYSA-N,3,1,0.737,91,781,466.473,4.218,5,0.355,0.72,1.0,0.9038962374066205,0.8727983003221164,0.6233123158111165,0.5578353094373244,0.7394605407442945
EOS-3-38545,N#Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ccn2)ccc1F,RMPPQEFGLWEERP-UHFFFAOYSA-N,3,1,0.558,35,393,443.467,3.942,5,0.392,0.64,1.0,0.8535741210335138,0.8209255705571928,0.6991895689123432,0.6863563155369748,0.7650113940100062
EOS-3-38547,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c1,BBNHLSQFGLGTJR-UHFFFAOYSA-N,3,1,0.558,15,438,449.877,4.001,5,0.364,0.63,1.0,0.7614454115550682,0.704766636967994,0.6614950997190049,0.6487132478925365,0.6941050990336509
EOS-3-38548,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4F)n23)nn1,ZMVJWRBGIAAHCM-UHFFFAOYSA-N,3,1,0.477,36,79,417.408,2.403,5,0.429,0.63,1.0,0.4137225001713385,0.4814526077719142,0.25911520800493454,0.22838564868754713,0.34566899115893357
EOS-3-38549,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5nccn5C)c4)n23)nnn1,BAJYJLKKANXKDV-UHFFFAOYSA-N,3,1,0.472,36,404,417.408,2.403,5,0.429,0.63,1.0,0.5144010006168186,0.5599770406414913,0.22704064149133027,0.20780789527791105,0.3773066445068878
EOS-3-38550,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5cncc(C)n5)ns4)n23)cn1,YTBCSOWYNVUGNH-UHFFFAOYSA-N,3,1,0.443,7,535,417.458,2.691,5,0.425,0.65,1.0,0.32962956617092726,0.37256699335206633,0.02229113837296964,0.016311424850935508,0.18519978068672466
EOS-3-38551,Cc1ccc(-c2nnc3cncc(CCc4ncc(-c5ccc(F)cn5)cn4)n23)cc1,YBDXHCVCHPBYCQ-UHFFFAOYSA-N,3,1,0.406,14,886,411.444,3.876,5,0.437,0.8,1.0,0.47462476869302994,0.5504591871701734,0.4069888972654376,0.442207525186759,0.46857009457884996
EOS-3-38552,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)nc5)n34)cc2)n1,BRYPOVQNFNHIQC-UHFFFAOYSA-N,3,1,0.278,38,725,420.44,3.039,6,0.466,0.6,1.0,0.09314817353162909,0.11082173942841478,0.26268761565348503,0.24299225549996573,0.17741244602837364
EOS-3-38553,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ncn2)no1,OUXIWIBKFCIVGB-UHFFFAOYSA-N,3,1,0.413,31,194,440.876,3.276,5,0.392,0.62,0.554,0.4844253306832979,0.45964121718867795,0.06308683434994175,0.09440751147967925,0.2753902234253992
EOS-3-38555,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,CVBOCQQUZWWHKF-UHFFFAOYSA-N,3,1,0.312,61,269,484.495,3.294,6,0.394,0.8,1.0,0.3320026043451443,0.32910698375711056,0.252270235076417,0.2608285929682681,0.293552104036735
EOS-3-38556,Cc1cc(-c2cnc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)cn2)on1,ALNYJQOPJKAGFH-UHFFFAOYSA-N,3,1,0.394,31,779,453.825,2.749,5,0.378,0.6,1.0,0.5639435268316085,0.5135614419847851,0.1471197998766363,0.1907597148927421,0.35384612089644296
EOS-3-38557,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(N)=O)c(F)c4)n23)cn1,DKWXFBPFWZZLNO-UHFFFAOYSA-N,3,1,0.369,0,688,405.393,1.841,4,0.521,0.91,1.0,0.3507556027688301,0.2738331848399698,0.19548009046672607,0.12735590432458366,0.2368561956000274
EOS-3-38558,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cn4)n23)cc1,JJFHQBKZFKOWTP-UHFFFAOYSA-N,3,1,0.429,63,334,404.861,3.323,5,0.551,0.88,1.0,0.2611455691864848,0.20778219450346103,0.23772359673771504,0.37283256802138304,0.26987098211226096
EOS-3-38559,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)nc1F,KKXBVYFFWPFQAC-UHFFFAOYSA-N,3,1,0.478,46,267,451.824,4.154,5,0.371,0.64,0.979,0.6980501679117264,0.755003084092934,0.740353642656432,0.7855784387636214,0.7447463333561785
EOS-3-38560,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c2)n1C,AXGZFMVBDVATOW-UHFFFAOYSA-N,3,1,0.474,92,986,482.508,2.156,6,0.37,0.75,1.0,0.214978411349462,0.08203687204441094,0.01419539442121856,0.013038859570968404,0.08106238434651497
EOS-3-38561,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)s1,IKRNETUJCRCXNQ-UHFFFAOYSA-N,3,1,0.321,76,543,455.482,3.911,6,0.397,0.6,0.912,0.06926358714275924,0.21758275649372902,0.2814834487012542,0.36947433349324926,0.23445103145774793
EOS-3-38562,Clc1cnc(-c2cc(COc3cncc4nnc(-c5cnccn5)n34)ncn2)nn1,TWFNWULDQTUAKO-UHFFFAOYSA-N,3,1,0.387,7,828,419.796,1.456,5,0.408,0.58,0.888,0.389932149955452,0.4242683846206566,0.04160955383455555,0.061878897950791587,0.22942224659036392
EOS-3-38563,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nn2)nn1C,AVEWSFOWVNFYSD-UHFFFAOYSA-N,3,1,0.529,36,404,468.308,3.571,5,0.385,0.65,1.0,0.5223939414707697,0.6749623055308067,0.16599273524775546,0.2814663148516209,0.41120382427523816
EOS-3-38565,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6csnn6)cn5)n34)cn2)cn1,HYMDQYNOXYXGOH-UHFFFAOYSA-N,3,1,0.467,80,277,466.49,3.136,6,0.361,0.64,1.0,0.27697724624768694,0.30463127955589064,0.2095212802412446,0.182586868617641,0.2434291686656158
EOS-3-38566,Fc1cncc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)c1,OYRRDXPAULFBJJ-UHFFFAOYSA-N,3,1,0.456,73,379,451.824,4.154,5,0.371,0.65,1.0,0.7898876019464053,0.805599342060174,0.7801555753546707,0.82442944280721,0.800017990542115
EOS-3-38567,Cc1nc(-c2cncn2C)cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)n1,KOWXLMJMDFSQDD-UHFFFAOYSA-N,3,1,0.4,46,330,452.4,3.287,5,0.378,0.59,0.999,0.5723305462271263,0.4419419505174423,0.7091871701733946,0.6487218148173531,0.5930453704338291
EOS-3-38568,Cc1nncc(-c2cccc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)n2)c1Cl,QSSALDYNTCGYCJ-UHFFFAOYSA-N,3,1,0.468,4,205,473.884,2.678,5,0.393,0.61,1.0,0.4483157425810431,0.3867623877732849,0.1692824343773559,0.14777088616270304,0.2880328627235967
EOS-3-38569,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5cnn(Cc6ccc(Cl)cc6)n5)n34)cc2)n1,CUKMCYYVDURPGN-UHFFFAOYSA-N,3,1,0.34,3,63,480.923,3.912,6,0.365,0.75,1.0,0.11588479199506545,0.26361284353368514,0.27773970255637037,0.36633883901034886,0.25589404427386747
EOS-3-38570,Fc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)n2)c1,WOVHFQIYOMGGGU-UHFFFAOYSA-N,3,1,0.289,76,315,419.37,4.387,5,0.43,0.68,0.826,0.285227194846138,0.4596497841134946,0.8940871084915358,0.8935473922280858,0.6331278699198135
EOS-3-38571,Cc1cnc(-c2nccnc2-c2nnc3cncc(OCc4cnc(C#N)cn4)n23)nc1,QVGQEXVRFRDADQ-UHFFFAOYSA-N,3,1,0.363,7,535,423.4,1.587,5,0.405,0.59,0.992,0.36442841477623195,0.31475738468919195,0.04012747584127202,0.03565554108697142,0.18874220409841685
EOS-3-38572,Cc1cnc(-c2ccc(F)c(F)c2)cc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,SQUCDSXOYCLYAA-UHFFFAOYSA-N,3,1,0.466,73,756,465.851,4.462,5,0.378,0.68,1.0,0.8276420396134604,0.797015283393873,0.7801641422794874,0.7992769515454733,0.8010246042080735
EOS-3-38573,CC(C)(O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)cn1,USZZQQDNNCYJEV-UHFFFAOYSA-N,3,1,0.525,4,205,444.52,4.116,5,0.421,0.63,1.0,0.4894112809265986,0.4105527379891714,0.6442156123637859,0.4104927695154547,0.4886681001987527
EOS-3-38574,c1ccc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)cc2)cc1,TVLUNONXWDVLFW-UHFFFAOYSA-N,3,1,0.309,21,810,427.471,4.977,6,0.395,0.74,1.0,0.09086080460557878,0.0714824206702762,0.5234819409224865,0.6657956959769721,0.33790521554382835
EOS-3-38575,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,UOJGWCBWZNTQBB-UHFFFAOYSA-N,3,1,0.373,63,306,405.437,2.63,5,0.533,0.88,1.0,0.1678174902337057,0.1680830649030224,0.10439654581591391,0.1477794530875197,0.14701913851004042
EOS-3-38576,CC(C)n1cncc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)nn1,NBKJUWOYUXBWJR-UHFFFAOYSA-N,3,1,0.321,86,780,461.493,3.545,6,0.379,0.59,0.999,0.0793297238023439,0.04154958536083887,0.21299088479199507,0.15287677335343705,0.12168674182715372
EOS-3-38577,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)nn1,MHCSUJVYDOAMTE-UHFFFAOYSA-N,3,1,0.269,99,14,464.497,2.631,6,0.378,0.65,0.346,0.07933829072716057,0.028990473579603864,0.010837159893084779,0.00820711397436776,0.03184325954355425
EOS-3-38578,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c(-c2ncc(Cl)cn2)n1,AKMRKEYXGZAJDP-UHFFFAOYSA-N,3,1,0.37,93,774,464.92,4.969,6,0.366,0.76,1.0,0.187487149612775,0.2996281954629566,0.4853933931875814,0.6076262764717977,0.3950337536837777
EOS-3-38579,Cc1ncc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4F)n23)c(-c2cnccn2)n1,JATBGICXRSOBFD-UHFFFAOYSA-N,3,1,0.325,50,575,436.813,3.945,5,0.395,0.58,1.0,0.3529830032211637,0.5364351312452882,0.7327890480433144,0.7788534027825372,0.6002651463230759
EOS-3-38580,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)cnn2)c1,BMLKECZTFUFPRC-UHFFFAOYSA-N,3,1,0.495,72,778,448.849,3.452,5,0.389,0.54,1.0,0.6618292097868549,0.8390103488451786,0.4889229662120485,0.6138544308135152,0.6509042389143993
EOS-3-38581,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)cnn2)s1,MKJJAMNBFNIPIB-UHFFFAOYSA-N,3,1,0.489,53,778,435.448,2.564,5,0.396,0.56,0.825,0.5582979233774245,0.559985607566308,0.09206017407991228,0.12070797066684943,0.33276291892262355
EOS-3-38582,Fc1cccc(CCOc2cncc3nnc(-c4cc(Cl)c(F)c(C(F)F)c4)n23)c1,ZVKMLVDIQRFASE-UHFFFAOYSA-N,3,1,0.697,23,240,436.796,5.282,4,0.386,0.75,1.0,0.9885374545952985,0.989608320197382,0.9937632787334658,0.9954081282982661,0.9918292954561031
EOS-3-38583,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)[nH]c1F,HGNLBRPXQPUWFN-UHFFFAOYSA-N,3,1,0.462,75,239,434.41,3.445,5,0.452,0.58,1.0,0.6123295181961483,0.554776917277774,0.5268658762250702,0.43281817558769103,0.5316976218216709
EOS-3-38584,Cc1cnc(Cl)c(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cn2)n1,UEVMOFJUTZVCGS-UHFFFAOYSA-N,3,1,0.415,46,915,465.304,4.233,5,0.38,0.63,1.0,0.7042269207045438,0.7093413748200946,0.42503084092934,0.49159584675484885,0.5825487458022068
EOS-3-38585,Cc1nc(-c2cncc(F)c2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,ZOCUFFAJRDFGAF-UHFFFAOYSA-N,3,1,0.495,35,904,461.888,4.366,5,0.371,0.66,1.0,0.8773901720238503,0.8966828867109862,0.6639195394421219,0.6863648824617915,0.7810893701596875
EOS-3-38586,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)ccn1,RNBGLNHTLANWBO-UHFFFAOYSA-N,3,1,0.488,4,390,438.875,4.681,5,0.371,0.71,1.0,0.6980587348365431,0.8321482420670276,0.7664741964224522,0.7832910698375711,0.7699930607908985
EOS-3-38587,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cc4)n23)nc1,ZLHBQMPIUQNQIM-UHFFFAOYSA-N,3,1,0.308,69,174,441.498,5.286,6,0.37,0.78,1.0,0.09552121170584607,0.07838736207251046,0.7067798642999109,0.7030446850798437,0.39593328078952783
EOS-3-38588,COCn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C)nc4)n23)ncn1,SIOWHSMNJGFWNV-UHFFFAOYSA-N,3,1,0.42,92,185,431.42,1.121,5,0.365,0.61,1.0,0.22614111438558016,0.16421081488588857,0.013544308135151806,0.00922657802755123,0.10328070385854293
EOS-3-38590,COc1cc(-c2cnn(C)n2)ccc1-c1cncc2nnc(-c3cnc(-c4nnc(C)o4)nc3)n12,CTBWGQJYGXTTSS-UHFFFAOYSA-N,3,1,0.3,99,424,467.453,2.411,6,0.368,0.61,0.946,0.2506682201357001,0.05236961140429031,0.05354328010417381,0.02947878829415393,0.09651497498457953
EOS-3-38591,COc1cnccc1COc1cncc2nnc(-c3ccc(-c4nnn(C)n4)nc3Cl)n12,ANUADAAQQHVOMU-UHFFFAOYSA-N,3,1,0.438,92,105,450.85,2.013,5,0.354,0.61,0.999,0.4229319443492564,0.41056130491398807,0.08727126310739497,0.07628846549242684,0.2492632444657666
EOS-3-38592,Cc1cnc(CCOc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)c(Cl)n1,OILKVKBUVPXJHK-UHFFFAOYSA-N,3,1,0.455,87,858,462.876,3.761,5,0.375,0.62,1.0,0.740584949626482,0.7277002947022136,0.3251833321910767,0.40100918374340344,0.548619440065794
EOS-3-38593,Fc1ccc(F)c(COc2cncc3nnc(-c4cnnc(-c5cc(Cl)ncn5)c4)n23)c1,CLGUHWJNRRCJCP-UHFFFAOYSA-N,3,1,0.452,59,109,452.812,3.549,5,0.373,0.59,1.0,0.7526985813172503,0.7847988486053047,0.7973408265369063,0.8305205263518607,0.7913396957028305
EOS-3-38594,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)[nH]n2)n1C,USQPKDVDMLKJTC-UHFFFAOYSA-N,3,1,0.379,56,789,469.444,3.007,6,0.404,0.65,0.703,0.46956171612637926,0.4814611746967309,0.1067952847645809,0.10459358508669728,0.2906029401685971
EOS-3-38595,Cn1cc(-c2nc(COCc3cncc4nnc(-c5ccc(Cl)nc5)n34)n(C)n2)cn1,DKAZGWOPVKAGBH-UHFFFAOYSA-N,3,1,0.38,92,105,436.867,2.085,5,0.372,0.58,0.998,0.2013827016654102,0.3046398464807073,0.03871393324652183,0.0589747104379412,0.15092779795764513
EOS-3-38596,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)c(Cl)c1,AQKWJTLKCPYWQU-UHFFFAOYSA-N,3,1,0.511,11,275,464.863,4.801,5,0.359,0.73,1.0,0.9634192310328284,0.952213693372627,0.8401497498457954,0.876961825783017,0.908186125008567
EOS-3-38597,Fc1ccncc1CCOc1cncc2nnc(-c3cncc(-c4ccsc4)c3)n12,ZUSMSINRRHBSFM-UHFFFAOYSA-N,3,1,0.556,2,419,418.457,4.07,5,0.414,0.72,1.0,0.6772925090809403,0.6654016174354054,0.6615036666438215,0.6630285792611884,0.666806593105339
EOS-3-38598,Fc1cc(F)cc(CCOc2cncc3nnc(-c4cnc(COCC(F)F)cn4)n23)c1,IPEKMDSARKBBOO-UHFFFAOYSA-N,3,1,0.478,68,457,448.38,3.263,4,0.363,0.6,0.999,0.5805976286752107,0.5547854842025907,0.8621667466246317,0.8305290932766775,0.7070197381947776
EOS-3-38599,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,VHIRNBFSKIFQHG-UHFFFAOYSA-N,3,1,0.535,75,324,448.849,3.452,5,0.389,0.55,1.0,0.8419402371324789,0.8286957713659104,0.6023747515591803,0.619714207388116,0.7231812418614214
EOS-3-38600,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)nc5)n34)cc2)nc1,GCKVOGBRNFUMTH-UHFFFAOYSA-N,3,1,0.342,32,57,462.904,5.026,6,0.362,0.75,1.0,0.2691042423411692,0.34393633061476253,0.6083887327804811,0.6459118634774861,0.4668352923034747
EOS-3-38601,Clc1cnc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)nc1,LGWGHCWKUPQDIC-UHFFFAOYSA-N,3,1,0.38,93,651,462.904,5.026,6,0.362,0.75,1.0,0.31186176410115823,0.4105698718388047,0.48540196011239806,0.6138629977383319,0.4554241484476732
EOS-3-38602,Cc1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(CO)cn5)n34)n2)o1,BQWXABYCEQXGEZ-UHFFFAOYSA-N,3,1,0.446,46,122,415.413,2.616,5,0.445,0.66,1.0,0.34387636214104583,0.23801487218148173,0.2591237749297512,0.16337125625385512,0.2510965663765335
EOS-3-38603,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1,GZNNBPYLOVLUGR-UHFFFAOYSA-N,3,1,0.575,35,265,449.877,4.001,5,0.389,0.58,1.0,0.9407511479679255,0.8425656226440956,0.6991981358371598,0.6920104859159756,0.7936313480912891
EOS-3-38605,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cnn2)cn1,XVKMVFGJKMGRPX-UHFFFAOYSA-N,3,1,0.474,87,304,429.419,2.502,5,0.401,0.55,0.973,0.6290350215886505,0.6079432526900144,0.2233054622712631,0.2140189157699952,0.4185756630799808
EOS-3-38606,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)c1,DIDCDFGJRIHZMS-UHFFFAOYSA-N,3,1,0.418,46,242,418.367,2.896,5,0.402,0.65,1.0,0.827650606538277,0.6175639092591323,0.4889315331368652,0.4793965458159139,0.6033856486875471
EOS-3-38607,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nc1C,FEDOODIAXOGBMQ-UHFFFAOYSA-N,3,1,0.543,65,578,458.913,3.93,5,0.352,0.67,1.0,0.7405935165512988,0.8390189157699952,0.2960129531903228,0.272411075320403,0.537009115208005
EOS-3-38608,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cnn2)nn1,QHRDKYNUZOJLNX-UHFFFAOYSA-N,3,1,0.484,53,778,449.837,2.847,5,0.36,0.58,0.999,0.8040230278939072,0.8056079089849908,0.4069974641902543,0.4642245219655952,0.620213230758687
EOS-3-38609,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1F,YGSZUBGKUGNOFY-UHFFFAOYSA-N,3,1,0.517,37,639,451.412,3.626,5,0.367,0.62,1.0,0.9053183469261874,0.8757795901583167,0.6883010074703585,0.67451682544034,0.7859789424988006
EOS-3-38610,N#Cc1cccc(-c2cc(-c3nnc4cncc(Oc5nc(Cl)ncc5Cl)n34)ncn2)c1,AVSDKANZBJDHRB-UHFFFAOYSA-N,3,1,0.333,44,971,462.26,4.009,5,0.364,0.66,0.947,0.7288396957028305,0.6749708724556234,0.6113014872181481,0.6745253923651566,0.6724093619354397
EOS-3-38611,COCc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)[nH]n2)cn1,JKLKERVITKUSGU-UHFFFAOYSA-N,3,1,0.524,15,963,428.456,2.739,5,0.401,0.6,0.999,0.29637276403262286,0.02186279213213625,0.2023079295456103,0.16337982317867178,0.17098082722226032
EOS-3-38612,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccccn5)s4)n23)cc1,LMLKAXKVZVZXCX-UHFFFAOYSA-N,3,1,0.315,32,126,433.5,5.039,6,0.387,0.77,0.962,0.06350661366595847,0.11997978205743266,0.3961260365979028,0.4705126447810294,0.2625312692755808
EOS-3-38613,CCn1c(-c2cccc(C)n2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(C)o4)cn3)n12,VXAGWUBXXANYNW-UHFFFAOYSA-N,3,1,0.286,70,934,463.505,4.404,6,0.37,0.69,0.301,0.040881365225138785,0.01806764443835241,0.06116784319100815,0.07027448427112604,0.04759783428140635
EOS-3-38614,FC(F)c1cccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)n2)c1,OEFPOIRVEKEVPW-UHFFFAOYSA-N,3,1,0.297,32,887,469.415,4.298,6,0.364,0.7,0.993,0.28796004386265506,0.3439448975395792,0.5895157974093619,0.5894044273867453,0.4527062915495853
EOS-3-38615,Cc1ncc(-c2cnc(-c3nnc4cncc(OCCc5cnccc5F)n34)cc2F)s1,FGSVKBXUNGCROO-UHFFFAOYSA-N,3,1,0.452,18,840,451.462,3.913,5,0.387,0.61,1.0,0.6233380165855664,0.5599941744911247,0.537034815982455,0.5213059420190529,0.5604182372695496
EOS-3-38616,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c(Cl)c1,FJAUPMQNQBJZLL-UHFFFAOYSA-N,3,1,0.489,20,279,467.32,3.91,5,0.374,0.63,1.0,0.6434959906791858,0.6363083407580015,0.5060396819957508,0.5834332807895278,0.5923193235556166
EOS-3-38617,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)cc(-c2noc(C)n2)n1,SRNKYKCARHJHDL-UHFFFAOYSA-N,3,1,0.453,7,677,464.873,2.973,5,0.399,0.63,1.0,0.5865173737235282,0.6509149475704201,0.202316496470427,0.20187101637996024,0.4104049585360839
EOS-3-38618,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)n(C)n2)s1,YMPYFCOBYPNZIG-UHFFFAOYSA-N,3,1,0.441,31,569,437.464,2.507,5,0.399,0.57,1.0,0.2879686107874717,0.2380234391062984,0.04309163182783908,0.05598485367692413,0.1562671338496333
EOS-3-38619,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4nc(-c5cncnn5)cs4)n23)c1,MBSNITMIKZKOSQ-UHFFFAOYSA-N,3,1,0.333,76,356,455.442,2.758,6,0.39,0.56,0.983,0.08150572270577754,0.21759132341854567,0.08727983003221164,0.1825954355424577,0.14224307792474813
EOS-3-38620,COc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)c(F)c3)n12,WYFDUWLRSCIOFK-UHFFFAOYSA-N,3,1,0.462,47,164,452.837,3.352,5,0.39,0.57,1.0,0.8645740524981153,0.7463162223288329,0.6555924885203207,0.5802977863066274,0.7116951374134741
EOS-3-38621,Cc1cccc(-c2ncncc2-c2nnc3cncc(OCc4ccc(F)nc4)n23)n1,PIZBVTWWUCVUCI-UHFFFAOYSA-N,3,1,0.495,55,283,414.404,3.065,5,0.404,0.75,0.94,0.6585480775820711,0.5456274415735728,0.3961346035227195,0.34365362209581246,0.485990936193544
EOS-3-38622,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nn1,WTCKDVUBBDIEBK-UHFFFAOYSA-N,3,1,0.344,80,277,449.438,2.626,6,0.386,0.55,1.0,0.37143615927626616,0.25331539990405044,0.10680385168939757,0.08491535878281133,0.20411769241313135
EOS-3-38623,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)c(Cl)n3)n12,BSBASQXQXGBVRN-UHFFFAOYSA-N,3,1,0.457,18,262,448.849,3.452,5,0.364,0.59,1.0,0.8489137139332465,0.8321568089918443,0.43979165238845863,0.48568466863134807,0.6516367109862243
EOS-3-38624,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccn4)n23)nc1,WAIQSEIXTSLYJO-UHFFFAOYSA-N,3,1,0.43,46,181,414.404,3.065,5,0.432,0.66,1.0,0.4995202522102666,0.5180676444383524,0.40700603111507094,0.3340072647522445,0.4396502981289836
EOS-3-38625,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nc2C)cn1,AKHQFGPHNMXZRU-UHFFFAOYSA-N,3,1,0.452,92,717,446.902,4.006,5,0.363,0.67,0.996,0.3118703310259749,0.3291155506819272,0.37389486669864985,0.32135391679802616,0.33405866630114456
EOS-3-38626,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4nc(Cl)ns4)n23)ccn1,AENFWHQONCKZPN-UHFFFAOYSA-N,3,1,0.477,7,486,425.865,2.671,5,0.422,0.65,1.0,0.27431293262970324,0.40125762456308683,0.059094647385374545,0.07233911315194298,0.2017510794325269
EOS-3-38627,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1F,BYVZPLQQDWNEAW-UHFFFAOYSA-N,3,1,0.455,73,379,454.828,3.492,5,0.375,0.62,1.0,0.8419488040572956,0.8132153382221917,0.5895243643341787,0.6107018024809814,0.7138475772736619
EOS-3-38628,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)nc2F)n1,WSVXTFPISGGPGB-UHFFFAOYSA-N,3,1,0.368,31,662,432.423,2.107,5,0.384,0.59,0.763,0.30657597148927423,0.29963676238777326,0.05720992392570763,0.038988074840655196,0.1756026831608526
EOS-3-38629,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)n2)cc1,NCYSZPPIFRFRRO-UHFFFAOYSA-N,3,1,0.337,3,783,424.403,2.963,6,0.463,0.54,1.0,0.05293502844219039,0.19851278185182647,0.4211928586114728,0.48857172229456514,0.29030309780001373
EOS-3-38630,Cc1cncc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)n1,YLDYCRUGFOKCFD-UHFFFAOYSA-N,3,1,0.43,53,511,415.392,2.46,5,0.399,0.68,0.934,0.5507418956891235,0.4012661914879035,0.3141662668768419,0.27862209581248715,0.386199112466589
EOS-3-38631,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)c1,ZQVSLDAJDYCNLN-UHFFFAOYSA-N,3,1,0.467,18,949,414.404,2.799,5,0.418,0.68,1.0,0.6832036872044411,0.5735813172503598,0.2887824686450552,0.29045301898430537,0.4590051230210403
EOS-3-38632,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(C)nc(C)c5F)n34)c2)cn1,RWIPAIZZHKFUFI-UHFFFAOYSA-N,3,1,0.426,7,858,442.458,3.682,5,0.406,0.58,1.0,0.652439860187787,0.5273027893907203,0.4541155506819272,0.31218730724419164,0.48651137687615653
EOS-3-38633,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)ncn2)nn1,KIOLDLVQIWOLRB-UHFFFAOYSA-N,3,1,0.36,46,395,449.837,3.113,5,0.373,0.59,0.386,0.6832122541292578,0.5642348022753753,0.432304160098691,0.43889212528270855,0.5296608354465082
EOS-3-38634,Clc1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(Cl)nn5)cn4)n23)cn1,UZLXJMYRBVISGD-UHFFFAOYSA-N,3,1,0.378,85,580,450.293,3.525,5,0.375,0.57,1.0,0.38768761565348503,0.47279144678226304,0.31417483380165856,0.4328267425125077,0.4018701596874786
EOS-3-38635,Cc1cnnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6F)cn5)n34)nc2)n1,BEIRBTJWMLJECV-UHFFFAOYSA-N,3,1,0.284,86,72,463.44,3.005,6,0.359,0.58,0.693,0.2314526077719142,0.30971146597217464,0.1920447536152423,0.21674319786169557,0.23748800630525668
EOS-3-38636,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)nc1Cl,AHQLYUFMJAFOLM-UHFFFAOYSA-N,3,1,0.528,24,583,447.861,4.057,5,0.362,0.65,1.0,0.8554931121924474,0.8390274826948119,0.592711260365979,0.6225155918031663,0.7274368617641012
EOS-3-38637,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)ccn1,YWUKFKDITAQCBQ-UHFFFAOYSA-N,3,1,0.472,92,52,449.425,3.202,5,0.389,0.59,1.0,0.35779761496813106,0.3486224384894798,0.4284490439311905,0.29950825851552326,0.3585943389760812
EOS-3-38638,CCOc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5ccncc5)c4)n23)sn1,QMLHIHJKMXPFRA-UHFFFAOYSA-N,3,1,0.5,97,439,448.483,4.427,5,0.364,0.71,1.0,0.47723768076211365,0.5273113563155369,0.526874443149887,0.4735624700157631,0.5012464875608251
EOS-3-38639,COc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCCc3ccnc(C)n3)n12,QMWKZFRDIQGVSK-UHFFFAOYSA-N,3,1,0.464,87,710,458.457,3.116,5,0.339,0.66,1.0,0.677301076005757,0.5789699129600439,0.2307072853128641,0.14778802001233637,0.4086915735727503
EOS-3-38640,Cc1cnc(-c2ncc(F)cc2-c2nnc3cncc(-c4cn(-c5cnccc5F)nn4)n23)cn1,IFRCKQHAIGUWIY-UHFFFAOYSA-N,3,1,0.27,86,312,469.419,2.873,6,0.383,0.57,0.999,0.023207799328353096,0.16809163182783907,0.29225207319580565,0.35321431019121374,0.20919145363580288
EOS-3-38641,Cc1nc(-c2cncc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)n(C)n1,WDZZABFCUHNUTR-UHFFFAOYSA-N,3,1,0.37,50,243,420.387,2.685,5,0.436,0.57,0.619,0.13495476663696798,0.1767613597423069,0.1886265506133918,0.1798197519018573,0.17004060722363099
EOS-3-38642,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)cc1,XABXBJJBRFONKO-UHFFFAOYSA-N,3,1,0.35,3,289,456.922,4.816,6,0.378,0.69,1.0,0.04981666780892331,0.24847508738263313,0.4990148036460832,0.6197227743129327,0.3542573332876431
EOS-3-38643,Clc1ncsc1CCOc1cncc2nnc(-c3cccc(-c4cccnc4)c3)n12,NOPLRDYZGDISQP-UHFFFAOYSA-N,3,1,0.566,35,352,434.912,4.585,5,0.389,0.69,1.0,0.6739771091768899,0.7848074155301213,0.4504660407100267,0.5545199095332739,0.6159426187375779
EOS-3-38644,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5csc(C)n5)n34)cnn2)n1,GPPHHFCUWISYFM-UHFFFAOYSA-N,3,1,0.456,92,464,417.458,2.691,5,0.425,0.7,1.0,0.2611541361113015,0.2533239668288671,0.03724898910287163,0.022316839147419644,0.14351098279761498
EOS-3-38645,Cn1nnnc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cn1,BGCBVBVHDBNJFL-UHFFFAOYSA-N,3,1,0.484,56,415,469.494,2.474,6,0.358,0.68,1.0,0.3714447262010829,0.3097200328969913,0.0387225001713385,0.038996641765471865,0.18972097525872114
EOS-3-38646,Clc1cccc(COCc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)n1,QNXHJNLEHJHSSI-UHFFFAOYSA-N,3,1,0.427,14,351,429.871,4.014,5,0.376,0.63,1.0,0.3644369817010486,0.34395346446439584,0.6412600233020355,0.6745339592899733,0.5060461071893634
EOS-3-38647,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c(Cl)c2)s1,JQHZOHYZSQOSON-UHFFFAOYSA-N,3,1,0.576,37,832,467.917,4.427,5,0.365,0.71,1.0,0.7898961688712219,0.8390360496196285,0.49902337057089985,0.5610050716194914,0.6722401651703105
EOS-3-38648,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)[nH]c(=N)n2)cn1,CHTUIEQDBYLASM-UHFFFAOYSA-N,3,1,0.394,97,565,445.874,2.992,5,0.397,0.68,1.0,0.44132513193064216,0.3147659516140086,0.4433983277362758,0.37922349393461724,0.394678226303886
EOS-3-38649,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5csnn5)cn4)n23)cn1,SNJQQSKLTYHHDN-UHFFFAOYSA-N,3,1,0.442,51,946,423.849,2.727,5,0.393,0.61,1.0,0.40708313343842095,0.5891645534918786,0.16600130217257214,0.22236310054142966,0.3461530224110753
EOS-3-38650,Cc1nnc(-c2ccc(F)c(-c3nnc4cncc(OCc5nc(O)cs5)n34)c2)s1,HUCHHLYVOBJUPF-UHFFFAOYSA-N,3,1,0.467,4,554,441.473,3.498,5,0.441,0.69,1.0,0.4796107189363306,0.6127150298128984,0.1321362483722843,0.13163079980810088,0.33902319923240354
EOS-3-38651,Fc1ccc(COc2cncc3nnc(-c4nccnc4-c4ccncn4)n23)c(F)c1F,LJHXTQLUTUGCMB-UHFFFAOYSA-N,3,1,0.413,46,577,436.357,3.035,5,0.387,0.58,0.879,0.7163748200945789,0.6363169076828181,0.7119114522650949,0.7116801452950449,0.6940708313343842
EOS-3-38652,Fc1cc(COc2cncc3nnc(-c4cnnc(-c5ncccc5F)c4)n23)cnc1Cl,WGRAWURDAOAXHP-UHFFFAOYSA-N,3,1,0.441,55,511,452.812,3.549,5,0.373,0.6,0.999,0.7010143238982934,0.7231683914741964,0.7170002056061956,0.7563309574395175,0.7243784696045508
EOS-3-38653,Fc1ccc(F)c(Oc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)c1,JGWBHXTWRGLCEC-UHFFFAOYSA-N,3,1,0.394,44,971,421.342,3.853,5,0.407,0.66,1.0,0.6802223973682407,0.7591237749297512,0.8719758755397162,0.8741090398190665,0.7963577719141937
EOS-3-38654,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncco5)c(F)n4)n23)c1F,OAWMBPYVXHHVHB-UHFFFAOYSA-N,3,1,0.444,59,910,424.342,3.838,5,0.396,0.64,0.991,0.832370982112261,0.7093499417449113,0.8370827907614283,0.8205657597148928,0.7998423685833733
EOS-3-38655,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,KNYGLCKPNZJDSB-UHFFFAOYSA-N,3,1,0.558,37,265,465.851,4.196,5,0.371,0.65,1.0,0.9520766225755602,0.9512284970187102,0.8499931464601467,0.869739908162566,0.9057595435542458
EOS-3-38656,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nc1,ZRJPOOBZKHJWQW-UHFFFAOYSA-N,3,1,0.306,38,787,436.504,4.377,6,0.408,0.62,1.0,0.04672400795010623,0.0820454389692276,0.46105475978342814,0.42963127955589064,0.25486387156466317
EOS-3-38657,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccn1,XFNJALFROFTELX-UHFFFAOYSA-N,3,1,0.54,75,624,416.42,2.742,5,0.42,0.66,1.0,0.6179065862517991,0.44660235761770956,0.4468764992118429,0.3949009663491193,0.47657160235761764
EOS-3-38658,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ncc(CF)nc4Cl)n23)cc1,IWHOZAZXQVUJKA-UHFFFAOYSA-N,3,1,0.505,15,320,464.892,3.726,5,0.362,0.63,1.0,0.6802309642930574,0.6175724761839491,0.2960215201151395,0.3276334726886437,0.4803646083201974
EOS-3-38659,Cn1nccc1-c1cccc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)c1,ROYFZMWWAYXPQD-UHFFFAOYSA-N,3,1,0.506,16,980,452.305,4.473,5,0.391,0.64,1.0,0.5069734768007675,0.4728000137070797,0.7709204304023027,0.8036032485778904,0.6385742923720101
EOS-3-38660,N#Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)s1,IZXYJJDWVYXAGG-UHFFFAOYSA-N,3,1,0.505,75,241,445.443,2.732,5,0.387,0.57,0.68,0.7042354876293606,0.7231769583990131,0.17257213350695635,0.2078164622027277,0.4519502604345144
EOS-3-38662,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cn6cc(F)ccc6n5)n34)cc2)c1,NPSGTGRLQTWZAC-UHFFFAOYSA-N,3,1,0.385,83,550,424.414,5.051,6,0.399,0.78,1.0,0.2879771777122884,0.43781269275580836,0.9094818723870879,0.9451631142485094,0.6451087142759235
EOS-3-38663,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5nnc(C)c(C)n5)n34)c(Cl)cn2)s1,LSJYRYLRALTILA-UHFFFAOYSA-N,3,1,0.404,53,105,466.918,3.047,5,0.38,0.64,0.879,0.48695257350421495,0.5735898841751764,0.010845726817901446,0.012087930916318278,0.27086902885340275
EOS-3-38664,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ncns6)s5)n34)cc2)nc1,JQDAQCXESJXWGD-UHFFFAOYSA-N,3,1,0.478,81,120,471.531,3.802,6,0.357,0.73,1.0,0.3852974436296347,0.4058237954903708,0.04457370982112261,0.0702830511959427,0.22649450003426772
EOS-3-38665,Cn1nc(-c2nnc3cncc(Oc4ncccc4Cl)n23)cc1-c1cnc(Cl)nc1,AGAMPQOTCXCUEW-UHFFFAOYSA-N,3,1,0.345,95,462,440.254,3.476,5,0.391,0.62,0.996,0.36000788157083136,0.3867709546981016,0.3066959084367076,0.38235898841751764,0.3589584332807895
EOS-3-38666,Cc1cn(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5F)n34)nc2)cn1,VFZIRWUYCAGRKY-UHFFFAOYSA-N,3,1,0.279,39,449,467.443,4.083,6,0.385,0.63,0.999,0.07698238640257693,0.13382393256116784,0.5864060037009116,0.6107103694057981,0.3519806730176136
EOS-3-38667,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,ATGOOVQMERGWHP-UHFFFAOYSA-N,3,1,0.489,75,583,414.404,2.799,5,0.418,0.69,1.0,0.6832208210540744,0.6175810431087657,0.26635425947501884,0.27241964224521964,0.4598939414707697
EOS-3-38668,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)c2)s1,VKLSNHIEDLVRGD-UHFFFAOYSA-N,3,1,0.541,43,909,459.922,4.722,5,0.374,0.75,1.0,0.8347354533616613,0.9034935919402372,0.6883095743951751,0.697596120896443,0.7810336851483791
EOS-3-38669,Fc1cc(-c2cc(-c3nnc4cncc(Cc5cnnc(Cl)c5)n34)ncn2)cnc1Cl,PVLLXWAFQIOBFM-UHFFFAOYSA-N,3,1,0.298,85,395,454.256,3.47,5,0.38,0.57,0.001,0.2879857446371051,0.3486310054142965,0.6054931121924474,0.7196388184497293,0.49043717017339455
EOS-3-38670,CCC#Cc1ccc(-n2nnc(-c3cncc4nnc(-c5ccccc5Cl)n34)n2)s1,QLTXKZAYELAZHY-UHFFFAOYSA-N,3,1,0.369,22,888,432.9,3.91,5,0.402,0.65,0.993,0.06178466177780824,0.2894078541566719,0.1660098690973888,0.2844647385374546,0.2004167808923309
EOS-3-38671,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c(Cl)cn2)nc1,HBJJBBOSEKKHIC-UHFFFAOYSA-N,3,1,0.404,46,915,465.304,4.233,5,0.38,0.62,1.0,0.7010228908231101,0.7678963059420191,0.4818980878623809,0.5641919676512919,0.6287523130697005
EOS-3-38672,Cc1ncc(-c2ncccc2-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cn1,ZFZMSDQDIOSMEA-UHFFFAOYSA-N,3,1,0.467,7,535,431.847,2.974,5,0.413,0.55,0.999,0.519575423206086,0.5789784798848605,0.20952984716606127,0.2078250291275444,0.37897719484613795
EOS-3-38673,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cnc(F)nc5)ccn4)n23)cn1,HOYQGCLWTRFQMQ-UHFFFAOYSA-N,3,1,0.506,51,434,415.392,2.46,5,0.399,0.69,1.0,0.5351757932972381,0.5090295387567678,0.34343088205057914,0.25171338496333356,0.40983739976697964
EOS-3-38674,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccc2F)c1,RLTRYBMAYLMOLJ-UHFFFAOYSA-N,3,1,0.58,59,71,450.836,4.759,5,0.384,0.68,1.0,0.8792577616338839,0.9333835926255911,0.9319871838804743,0.9435182646837091,0.9220367007059146
EOS-3-38675,Cc1nnc(C(F)(F)F)nc1-c1cncc2nnc(-c3nccnc3-c3ncc(Cl)cn3)n12,YYDSHLKSYXNWIP-UHFFFAOYSA-N,3,1,0.239,50,206,471.794,2.871,5,0.386,0.6,0.984,0.2532468645055171,0.320094578849976,0.1789116578712905,0.19601980673017613,0.23706822698923993
EOS-3-38676,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)s1,OXYHGJDLRDOYPP-UHFFFAOYSA-N,3,1,0.495,27,250,451.462,4.53,5,0.375,0.7,1.0,0.6773096429305736,0.6312367212665342,0.6289150846412171,0.5280652456994037,0.6163816736344322
EOS-3-38677,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)sn1,DEEPJRHPMKCISN-UHFFFAOYSA-N,3,1,0.489,87,132,450.915,3.683,5,0.386,0.61,1.0,0.5276883010074703,0.6363254746076349,0.14712836680145294,0.18260400246727435,0.3734365362209581
EOS-3-38678,Cc1ncc(-c2cnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)nc1C,KSUJEEGSGQCRBD-UHFFFAOYSA-N,3,1,0.371,51,48,446.862,2.678,5,0.397,0.55,1.0,0.527696867932287,0.4683880474264958,0.05147865122335686,0.05453704338290727,0.27552515249126175
EOS-3-38679,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnnc(F)c5)c(Cl)n4)n23)n(C)n1,JRKQJBMAJHLMKF-UHFFFAOYSA-N,3,1,0.361,53,662,451.853,3.057,5,0.375,0.61,1.0,0.38304434240285107,0.44195051744225894,0.32519189911589336,0.3308717702693441,0.3702646323075869
EOS-3-38680,CC(C)(C)c1cnc(Cc2cncc3nnc(-c4nccnc4-c4ccc(F)c(F)c4)n23)cn1,NRRRISFRBYDSAC-UHFFFAOYSA-N,3,1,0.308,85,674,458.476,4.205,5,0.398,0.67,0.952,0.4005722705777534,0.37748440819683365,0.5060482489205674,0.3918597080392022,0.4189911589335892
EOS-3-38681,Cn1nc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1cnn(C)c(=O)c1,IZNMCNJEXXKNRJ-UHFFFAOYSA-N,3,1,0.427,31,569,434.485,1.968,5,0.402,0.58,0.99,0.09796278527859639,0.0034867384003837982,0.06505722705777534,0.053192036186690425,0.05492469673086149
EOS-3-38682,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc(Cl)n2)n(C)n1,IIIVOXGTIBRUID-UHFFFAOYSA-N,3,1,0.529,58,241,446.902,3.565,5,0.368,0.62,1.0,0.46483277362757863,0.4773747515591803,0.29603008703995615,0.28147488177643754,0.3799281235007882
EOS-3-38684,Cc1nnc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)n2)s1,GBHSLUPUIHZFLU-UHFFFAOYSA-N,3,1,0.238,99,852,454.483,2.266,6,0.39,0.53,0.99,0.02321636625316976,0.05237817832910698,0.010263175930368035,0.00735042149270098,0.023302035501336436
EOS-3-38685,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cc(-c6ccc(F)nc6)ccc5F)n34)cn2)cn1,VDYNKUUOUZGELM-UHFFFAOYSA-N,3,1,0.321,42,192,466.455,4.594,6,0.353,0.75,1.0,0.17053320540058942,0.34863957233911314,0.8560499623055308,0.8405866630114454,0.5539523507641697
EOS-3-38686,COCCn1cc(-c2cncc3nnc(-c4cnc(C)nc4-c4nnnn4C)n23)cn1,MSGCERFSWWTHAJ-UHFFFAOYSA-N,3,1,0.253,92,105,418.425,0.59,5,0.385,0.69,1.0,0.0692721540675759,0.01364711123295182,0.003221163731067096,0.0011736686998834898,0.021828524432869575
EOS-3-38688,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)cnn2)nn1,KWVNQSPPCHGGJI-UHFFFAOYSA-N,3,1,0.495,53,778,449.837,2.847,5,0.385,0.54,1.0,0.7644866698649853,0.7805239531217874,0.4175433486395723,0.4856932355561648,0.6120618017956274
EOS-3-38689,Cc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4Cl)cn3)n12,VKGHADJQGCYPCS-UHFFFAOYSA-N,3,1,0.354,52,523,427.899,5.014,6,0.403,0.76,0.994,0.07506339524364335,0.1722894249880063,0.25552566650675074,0.518101912137619,0.2552450997190049
EOS-3-38690,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(-c4cnccn4)s3)n12,XVNJGTOKAMZSPF-UHFFFAOYSA-N,3,1,0.529,73,540,438.875,4.681,5,0.396,0.69,1.0,0.8223476800767596,0.9320214515797409,0.7403622095812488,0.7832996367623878,0.8195077445000342
EOS-3-38691,COc1cnc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ncn4)n23)cn1,FNLUCUKSTDDKDX-UHFFFAOYSA-N,3,1,0.396,7,354,431.391,2.16,5,0.369,0.58,0.999,0.4844338976081146,0.4553748886299774,0.2663628263998355,0.18261256939209103,0.3471960455075046
EOS-3-38692,c1ccc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5ccncc5)nn4)n23)cc1,HVGLEIZOYNBGLW-UHFFFAOYSA-N,3,1,0.296,30,371,418.42,3.965,6,0.423,0.67,0.823,0.0769909533273936,0.04523336303200603,0.2922606401206223,0.3596737715029813,0.1935396819957508
EOS-3-38693,FCCn1nncc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1F,FYNNRPHBSNJDBW-UHFFFAOYSA-N,3,1,0.516,34,607,469.402,4.016,5,0.335,0.72,1.0,0.612338085120965,0.6407545747378521,0.8209170036323761,0.8548248920567473,0.7322086388869851
EOS-3-38694,Cc1noc(-c2cnnc(-c3nnc4cncc(OCc5ncc(Cl)nn5)n34)c2)n1,HNANXGQNCBIBSM-UHFFFAOYSA-N,3,1,0.347,53,105,423.784,1.357,5,0.4,0.6,0.999,0.37842676992666713,0.3628692344595984,0.0120022616681516,0.014006922075251867,0.19182629703241724
EOS-3-38695,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)c1,ZDYQFFCKTMUXHX-UHFFFAOYSA-N,3,1,0.484,81,117,476.504,3.501,6,0.341,0.7,1.0,0.14312761291206907,0.12719313275306696,0.15973888013158796,0.14050613391816874,0.1426414399287232
EOS-3-38696,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)n4)n23)ncc1F,OBIASQOWAGZYMT-UHFFFAOYSA-N,3,1,0.343,51,775,462.355,2.301,5,0.357,0.61,1.0,0.7787505996847371,0.7679048728668357,0.36248372284284835,0.3792320608594339,0.5720928140634638
EOS-3-38697,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)s2)ccn1,ONWMJMIFXLGVSD-UHFFFAOYSA-N,3,1,0.273,42,174,433.5,5.039,6,0.387,0.74,1.0,0.11866047563566583,0.1234836543074498,0.6442241792886025,0.6658042629017887,0.3880431430333767
EOS-3-38698,Cc1cccc(OCc2cncc3nnc(-c4cccc(-c5cccc(F)c5F)c4)n23)n1,GWMQDOSYCGEDFO-UHFFFAOYSA-N,3,1,0.396,57,18,429.43,5.019,5,0.393,0.75,1.0,0.6802395312178741,0.6898687547118086,0.9022256870673703,0.8782554314303338,0.7876473511068467
EOS-3-38699,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)cn5)cc4)n23)cn1,ANXFSBSPGWQDDA-UHFFFAOYSA-N,3,1,0.524,97,430,413.416,3.67,5,0.434,0.73,1.0,0.8169419505174422,0.7550116510177507,0.6556010554451374,0.5674730998560756,0.6987569392091014
EOS-3-38700,c1cc(-c2cocn2)cc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,FZKORKPNAZSWSR-UHFFFAOYSA-N,3,1,0.314,32,327,418.42,3.965,6,0.423,0.65,1.0,0.15698033034062092,0.09471592077307929,0.4715235419093962,0.47052121170584604,0.2984352511822356
EOS-3-38701,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)nc1,ASUIDSOMPCYEPZ-UHFFFAOYSA-N,3,1,0.506,15,921,444.886,3.622,5,0.391,0.55,1.0,0.7226458090603797,0.784815982454938,0.20953841409087795,0.2430008224247824,0.4900002570077445
EOS-3-38702,Clc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4-c4ccccc4)n23)nc1,NBHRYKFKFQARCQ-UHFFFAOYSA-N,3,1,0.494,57,210,449.301,5.134,5,0.37,0.78,1.0,0.8040315948187239,0.9179631279555891,0.7429922554999657,0.8462065656911795,0.8277983859913645
EOS-3-38703,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c(Cl)cn2)nc1,GGPDUIXPWFCUAH-UHFFFAOYSA-N,3,1,0.523,73,665,469.814,4.293,5,0.379,0.67,1.0,0.9347457336714413,0.9564029196079775,0.8771588650538003,0.9037763004591872,0.9180209546981015
EOS-3-38704,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ccnc(F)n1,AKDHFWATPBJHIY-UHFFFAOYSA-N,3,1,0.489,4,61,449.471,3.74,5,0.362,0.7,1.0,0.6554811184977041,0.7047752038928107,0.3215680899184429,0.20495510931396066,0.4716948804057296
EOS-3-38705,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)ncn2)cc1,AICRFVIFCHNWJC-UHFFFAOYSA-N,3,1,0.506,44,130,464.863,4.801,5,0.359,0.74,0.998,0.9226149681310397,0.9216811733260228,0.9010948529915701,0.9276694537728737,0.9182651120553765
EOS-3-38706,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)ncc2F)cnc1F,VIOJDHQFXJJLLG-UHFFFAOYSA-N,3,1,0.406,46,128,449.396,3.948,5,0.375,0.63,1.0,0.6263621410458502,0.6702933315057227,0.837091357686245,0.79928551847029,0.733258087177027
EOS-3-38707,Fc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)ccc1-c1cnco1,KIKYKORIYQSINZ-UHFFFAOYSA-N,3,1,0.321,69,737,434.434,5.314,6,0.374,0.79,1.0,0.3268624494551436,0.34864813926392985,0.840158316770612,0.859939346172298,0.5939020629154959
EOS-3-38708,Clc1ccnc(COc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)c1,UVKPPAINIQHWBR-UHFFFAOYSA-N,3,1,0.517,54,873,416.832,3.271,5,0.43,0.61,1.0,0.3876961825783017,0.45965835103831126,0.3850918374340347,0.46108046055787816,0.4233817079021315
EOS-3-38709,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccccc5F)n4)n23)c(F)c1,VITOPYYLGNZIDV-UHFFFAOYSA-N,3,1,0.281,39,144,471.406,3.913,6,0.384,0.61,0.639,0.05822082105407443,0.2030275512302104,0.5704372558426427,0.7087845247070111,0.3851175382084847
EOS-3-38710,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)nc2)nn1,CYMQWCNSORPUDM-UHFFFAOYSA-N,3,1,0.305,76,368,448.515,4.742,6,0.384,0.69,1.0,0.06179322870262491,0.1010211774381468,0.29226920704543896,0.2995168254403399,0.18865010965663764
EOS-3-38711,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnc5)n4)n23)cn1,UBWYUEOUKABQOH-UHFFFAOYSA-N,3,1,0.369,85,290,483.923,3.175,6,0.39,0.73,1.0,0.13496333356178467,0.24349770406414914,0.09419333835926257,0.17413131382358987,0.16169642245219656
EOS-3-38712,Cn1nncc1-c1cncc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)c1,PZFYLFLZYBKALG-UHFFFAOYSA-N,3,1,0.456,2,422,421.371,2.234,5,0.398,0.6,1.0,0.48941984785141524,0.40583236241518744,0.4954852306216161,0.45807346994722775,0.46220272770886167
EOS-3-38713,Cc1ncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)c2)c(C)n1,UXYAJIVWQCWLSJ-UHFFFAOYSA-N,3,1,0.378,13,110,449.396,4.47,5,0.374,0.65,1.0,0.6711585909122062,0.6407631416626688,0.8370999246110616,0.7691470769652525,0.7295421835377973
EOS-3-38714,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccncn5)c4)n23)cn1,SZYRDSDZHHNPFY-UHFFFAOYSA-N,3,1,0.483,65,76,414.404,2.799,5,0.391,0.74,1.0,0.734682338427798,0.6848913713933247,0.49903193749571656,0.44856418340072646,0.5917924576793914
EOS-3-38715,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)n(C)n2)n1C,PMTMWKHLXCTULU-UHFFFAOYSA-N,3,1,0.375,67,789,467.497,2.822,6,0.38,0.64,1.0,0.28799431156192173,0.2230141868274964,0.03467891165787129,0.019935234048385993,0.14140566102391885
EOS-3-38716,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ncn2)cn1,IHZOLWVJWSLMOR-UHFFFAOYSA-N,3,1,0.462,46,238,448.849,3.718,5,0.375,0.61,0.934,0.7346909053526146,0.6175896100335824,0.6442327462134192,0.604396545815914,0.6502274518538825
EOS-3-38717,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5nccs5)ccn4)n23)cn1,UPNVORGBNMDJNQ-UHFFFAOYSA-N,3,1,0.461,18,181,419.445,3.465,5,0.389,0.69,1.0,0.5980912891508464,0.4956137344938661,0.3586543074497978,0.34366218902062917,0.4490053800287849
EOS-3-38718,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(C)nn5)s4)n23)cc1,WOIXDUCXBNMHDK-UHFFFAOYSA-N,3,1,0.512,89,677,415.482,3.901,5,0.43,0.72,1.0,0.5836303200603111,0.5600027414159413,0.18548248920567473,0.16338839010348846,0.3731259851963539
EOS-3-38719,Cc1ccc(-c2nnc3cncc(OCCc4ccc(-n5cc(F)cn5)cn4)n23)nn1,NTXWYVIBXBEIFB-UHFFFAOYSA-N,3,1,0.432,53,785,417.408,2.231,5,0.414,0.64,0.925,0.360016448495648,0.23803200603111507,0.1534250565417038,0.14290487286683573,0.22359459598382564
EOS-3-38720,CCc1ncc(-c2nnc3cncc(-c4cn(-c5cc(C(F)F)ncn5)nn4)n23)s1,WPMYOVJIBQZCGK-UHFFFAOYSA-N,3,1,0.299,50,542,426.416,2.786,5,0.422,0.55,0.358,0.001841888835583579,0.015017819203618669,0.09912788705366321,0.10676101706531424,0.055687153039544926
EOS-3-38721,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5nc(CO)no5)c4)n23)nc1,QDKPNRZLGJMQNP-UHFFFAOYSA-N,3,1,0.28,33,432,444.415,0.935,5,0.382,0.63,0.503,0.162446028373655,0.03792577616338839,0.016217188677952164,0.0071362483722842845,0.05593131039681995
EOS-3-38722,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)nc4)n23)nc1,WLFGWLZHEYXLJT-UHFFFAOYSA-N,3,1,0.46,46,348,413.416,3.67,5,0.406,0.76,1.0,0.7318809540127476,0.607951819614831,0.602383318483997,0.5245613734493866,0.6166943663902404
EOS-3-38723,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5nnc(CO)s5)nn4)n23)cn1,MOVKKICSNHLCIG-UHFFFAOYSA-N,3,1,0.389,53,587,434.445,1.27,5,0.411,0.59,0.965,0.2769858131725036,0.24848365430744979,0.008961003358234527,0.005003084092934,0.1348583887327805
EOS-3-38724,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ncc(C)nc4-c4ccc(OC)cc4F)n23)nc1,LQJJIAKAMJOKKM-UHFFFAOYSA-N,3,1,0.351,74,776,484.495,3.516,5,0.389,0.74,0.582,0.44608834212870946,0.42427695154547324,0.2233140291960798,0.14541498183811938,0.30977357617709544
EOS-3-38725,COc1nc(-c2nnc3cncc(OCCc4cn(C)nc4C)n23)ccc1-c1cscn1,AVBGNVJGRIEOHJ-UHFFFAOYSA-N,3,1,0.435,49,501,448.512,2.982,5,0.374,0.58,1.0,0.2261496813103968,0.11369165924199849,0.049748132410389966,0.021485847440202866,0.10276883010074703
EOS-3-38726,CCn1ccnc1-c1cnc(F)cc1-c1nnc2cncc(Cc3ccc(C(F)F)nc3)n12,WEBPHTQQBBMCSY-UHFFFAOYSA-N,3,1,0.301,85,260,450.428,4.132,5,0.362,0.67,0.808,0.29363134809128916,0.3486567061887465,0.685628126927558,0.6076348433966143,0.483887756151052
EOS-3-38727,Cc1ccsc1COc1cncc2nnc(-c3ccc(Cl)c(-c4ncnn4C)c3)n12,YIJMEABYECAWOM-UHFFFAOYSA-N,3,1,0.489,36,610,437.916,4.189,5,0.41,0.63,0.987,0.4622027277088616,0.6458518950037695,0.35507333287643067,0.3758481255568501,0.459744020286478
EOS-3-38728,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cs2)cn1,MHEAPMZYHJRCPW-UHFFFAOYSA-N,3,1,0.517,73,391,457.853,4.215,5,0.39,0.69,1.0,0.767510794325269,0.9161983414433555,0.6412685902268521,0.7087930916318278,0.7584427044068262
EOS-3-38729,Cc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cn5)n34)n2)n(C)n1,XZMDKLDEPSRHIU-UHFFFAOYSA-N,3,1,0.277,76,387,466.534,3.784,6,0.386,0.61,0.977,0.034978754026454666,0.03793434308820506,0.04013604276608868,0.033573778356521145,0.03665572955931739
EOS-3-38730,c1cncc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5ccoc5)cc4)n23)c1,DBTKRQDSPSAAKC-UHFFFAOYSA-N,3,1,0.299,42,725,418.42,3.965,6,0.423,0.68,1.0,0.1186690425604825,0.08865910492769516,0.42845761085600714,0.49471420738811595,0.2826249914330752
EOS-3-38731,c1cnnc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5cccnn5)c4)n23)c1,RRTVORQTQNPCJO-UHFFFAOYSA-N,3,1,0.257,70,887,419.412,2.286,6,0.423,0.59,0.726,0.0005739839627167432,0.018076211363169076,0.11219244739908163,0.14291343979165239,0.06843902062915497
EOS-3-38732,Cc1cccc(Cn2ncc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)n1,GVEMGYVERXYXPG-UHFFFAOYSA-N,3,1,0.464,81,120,475.516,3.776,6,0.343,0.72,1.0,0.2261582482352135,0.17676992666712357,0.1789202247961072,0.16614693989445548,0.18699883489822494
EOS-3-38733,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2F)nc1,UVCCNRRLFNPAQY-UHFFFAOYSA-N,3,1,0.386,51,775,453.8,2.944,5,0.37,0.57,1.0,0.7468902062915496,0.7504626139401,0.3287985744637105,0.39793365773421974,0.556021263107395
EOS-3-38734,Fc1cc(-c2nnc3cncc(Cc4cc(-c5cccnn5)ncn4)n23)ccc1-c1cnccn1,RXAHCDBPXJMFKV-UHFFFAOYSA-N,3,1,0.302,94,596,462.452,3.225,6,0.38,0.56,1.0,0.3919539442121856,0.3584230004797478,0.41014152559797135,0.4296398464807073,0.39753957919265304
EOS-3-38735,CCn1nc(-c2ccc(Cl)c(F)c2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,FCZBRDFVHIEZCH-UHFFFAOYSA-N,3,1,0.423,45,316,454.296,5.183,5,0.374,0.78,1.0,0.33911315194297853,0.5547940511274073,0.5991964224521965,0.8145346446439586,0.5769095675416352
EOS-3-38736,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)nc2)cn1,JGGCUGGEOKOACW-UHFFFAOYSA-N,3,1,0.402,46,915,452.812,3.549,5,0.373,0.58,1.0,0.837399766979645,0.8092574189568912,0.752527242820917,0.7512250702487835,0.7876023747515591
EOS-3-38737,COCc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cc1F,PFRCOQHGMFBQCM-UHFFFAOYSA-N,3,1,0.424,18,466,458.457,2.945,5,0.346,0.61,1.0,0.48444246453293127,0.3337588239325612,0.39980981426907,0.3468405181276129,0.3912129052155438
EOS-3-38738,Fc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ccccc4F)ccn3)n12,TVKPSJLJXDFTAN-UHFFFAOYSA-N,3,1,0.646,19,198,429.43,4.753,5,0.39,0.68,1.0,0.7527071482420671,0.7679134397916524,0.8904547323692688,0.9060979370845041,0.8292933143718731
EOS-3-38739,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)cn2)cn1,QFZRTWVUZLOOFP-UHFFFAOYSA-N,3,1,0.444,55,282,432.394,3.204,5,0.39,0.58,1.0,0.8465920773079295,0.7805325200466041,0.6585737783565211,0.5674816667808923,0.7132950106229867
EOS-3-38740,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)c1,UIJVTMCBTKWCLR-UHFFFAOYSA-N,3,1,0.617,84,131,413.416,3.404,5,0.421,0.72,1.0,0.7927746556096223,0.737183880474265,0.5403587828113221,0.534893084778288,0.6513026009183742
EOS-3-38741,CCn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)n1,WDBFMYKDCRDIHP-UHFFFAOYSA-N,3,1,0.478,27,69,466.427,4.12,5,0.356,0.72,0.998,0.5778647796586938,0.6219416078404496,0.7170087725310123,0.6400777876773354,0.6392232369268727
EOS-3-38742,Cc1csc(-c2nccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)n1,SRYPIFAANGNLAM-UHFFFAOYSA-N,3,1,0.679,27,996,467.461,4.194,5,0.351,0.76,1.0,0.6435045576040025,0.8492820917003633,0.48894010006168187,0.420156260708656,0.6004707525186759
EOS-3-38743,Cc1ncc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)n4)n23)cn1,JRTZJDOUTQDZQB-UHFFFAOYSA-N,3,1,0.494,51,775,415.392,2.46,5,0.427,0.64,0.999,0.5533205400589405,0.5316890548968543,0.16601843602220548,0.1338067987115345,0.3462087074223837
EOS-3-38744,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)ns1,UEXYPFIHIQMQIC-UHFFFAOYSA-N,3,1,0.506,51,196,454.878,3.78,5,0.395,0.62,1.0,0.4942944280720992,0.55046775409499,0.24859502433006647,0.31827839078884246,0.4029088993214996
EOS-3-38745,Clc1nc(-c2cccnc2)ccc1-c1nnc2cncc(Cc3ccc(-c4conn4)nc3)n12,BISVHMIDXIHFNO-UHFFFAOYSA-N,3,1,0.327,70,887,467.88,3.938,6,0.347,0.69,1.0,0.23433966143513124,0.25826708244808444,0.38139949283805086,0.44221609211157564,0.3290555822082105
EOS-3-38746,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nc(Cl)ccc5F)n34)ncn2)nc1,PTVAYQDBBYVLAN-UHFFFAOYSA-N,3,1,0.357,46,726,452.812,3.549,5,0.373,0.61,0.869,0.6233465835103831,0.665410184360222,0.6289236515660338,0.6863734493866082,0.6510134672058118
EOS-3-38747,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)cc1F,MUGIGZAHIOMDER-UHFFFAOYSA-N,3,1,0.549,59,293,452.852,4.702,5,0.386,0.66,1.0,0.9226235350558564,0.9010520183674868,0.9228462751010897,0.9245767939140566,0.9177746556096225
EOS-3-38748,FC(F)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncs5)n4)n23)nc1,NIKINZYXAXZWBH-UHFFFAOYSA-N,3,1,0.461,46,122,437.435,4.221,5,0.393,0.64,0.999,0.48200089096018095,0.5316976218216709,0.6803166335412241,0.6107189363306148,0.5761835206634227
EOS-3-38749,CSC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5cccc(F)c5F)n4)n23)cc1,BBMFPFPVLMINNM-UHFFFAOYSA-N,3,1,0.343,61,316,461.457,4.092,5,0.395,0.59,1.0,0.2880028784867384,0.372575560276883,0.6143084778287986,0.6311681858680008,0.4765137756151052
EOS-3-38750,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)c2)nn1,IOGCUOXJOVRTSI-UHFFFAOYSA-N,3,1,0.478,16,55,420.383,2.839,5,0.404,0.62,1.0,0.5224025083955863,0.4466109245425262,0.6023918854088136,0.5642005345761085,0.5339014632307586
EOS-3-38751,c1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)c2)c1,MJGFDMNPEANNAR-UHFFFAOYSA-N,3,1,0.33,69,174,427.471,4.977,6,0.395,0.73,1.0,0.12105064765951613,0.137533411006785,0.722354533616613,0.7433692001918991,0.43107694811870334
EOS-3-38752,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cnnc(-c4cnccn4)c3)n12,YRLYTUDOGAUMKU-UHFFFAOYSA-N,3,1,0.477,55,540,434.822,3.41,5,0.414,0.53,1.0,0.7133506956342951,0.7591323418545679,0.6883181413199918,0.7248218079638133,0.7214057466931671
EOS-3-38753,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)c(Cl)c1,NEKPYJVDWMDFRW-UHFFFAOYSA-N,3,1,0.511,73,325,465.851,4.196,5,0.371,0.63,1.0,0.9634277979576451,0.9491038996641765,0.7198101569460627,0.7691556438900692,0.8503743746144884
EOS-3-38754,C#Cc1cncc(COc2cncc3nnc(-c4ccc(-c5cncn5CC)cn4)n23)c1,UAKCJNNZONOUHD-UHFFFAOYSA-N,3,1,0.406,33,168,422.452,3.025,5,0.388,0.64,0.625,0.3984905078473031,0.16421938181070522,0.4212014255362895,0.31534850250154206,0.32481495442395997
EOS-3-38755,COCCn1cc(-c2cncc3nnc(-c4ccc(-c5ccsc5)c(Cl)c4)n23)cn1,MTOWUVLUGDEKNF-UHFFFAOYSA-N,3,1,0.318,82,859,436.928,4.683,5,0.386,0.72,1.0,0.2069169350969776,0.2280686724693304,0.579946542389144,0.6429134397916524,0.4144613974367761
EOS-3-38756,Clc1ccc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)nn1,OBOFRBIUNSHUKD-UHFFFAOYSA-N,3,1,0.417,56,425,473.844,2.649,6,0.378,0.62,1.0,0.522411075320403,0.5504763210198067,0.08224247824001096,0.11618463436364883,0.3178286272359674
EOS-3-38757,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(C#N)c5F)n34)cn2)s1,CNEREZWLWXTUTJ-UHFFFAOYSA-N,3,1,0.462,89,109,443.467,4.208,5,0.401,0.69,1.0,0.8014101158248236,0.7805410869714208,0.7170173394558289,0.6487303817421698,0.7369247309985608
EOS-3-38758,Cn1ccnc1-c1cnc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)nc1F,LRSGYHIWOJISIZ-UHFFFAOYSA-N,3,1,0.337,51,48,456.804,2.282,5,0.366,0.59,0.998,0.5224196422452196,0.554802618052224,0.135083270509218,0.18528544993489138,0.34939774518538824
EOS-3-38759,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)s2)c1,JFCXXDRPINCGHP-UHFFFAOYSA-N,3,1,0.346,64,365,452.478,4.573,6,0.387,0.67,0.998,0.10024158727983003,0.2435062709889658,0.2377321636625317,0.39490953327393596,0.24409738880131587
EOS-3-38760,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)nc1,SZKPHQKHKBEBOL-UHFFFAOYSA-N,3,1,0.534,44,692,464.863,4.801,5,0.359,0.7,1.0,0.7956702761976561,0.7848245493797547,0.892999109039819,0.9083082036872044,0.8454505345761085
EOS-3-38761,Fc1cccnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)ncn1,FSVXGTXIRRWZAF-UHFFFAOYSA-N,3,1,0.516,27,354,468.374,3.775,5,0.359,0.69,1.0,0.8466006442327462,0.9059180316633542,0.9066205194983209,0.8099684737166747,0.867276917277774
EOS-3-38762,COc1ccccc1-n1nnc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)n1,IHFSZPFCPNXJEN-UHFFFAOYSA-N,3,1,0.333,3,158,465.452,3.644,6,0.38,0.64,1.0,0.1296604071002673,0.2842248646425879,0.277748269481187,0.33733123158111167,0.25724119320128846
EOS-3-38763,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)cn1,ATOKVSSWTNZVJD-UHFFFAOYSA-N,3,1,0.534,75,525,431.406,3.543,5,0.38,0.59,1.0,0.8921938181070523,0.8209341374820095,0.7502227400452334,0.7301847028990474,0.7983838496333356
EOS-3-38764,Fc1cccc(-c2ccncc2-c2nnc3cncc(-c4cn(-c5cccc(F)c5F)nn4)n23)c1,JDYVXNPIDLUAAU-UHFFFAOYSA-N,3,1,0.319,10,783,470.418,4.518,6,0.377,0.69,0.996,0.03132924405455418,0.2582756493729011,0.8664330751833322,0.9083167706120211,0.5160886848057021
EOS-3-38765,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(C)nc4F)n23)c(F)cn1,KQZBYGGGABJUGB-UHFFFAOYSA-N,3,1,0.396,7,624,449.425,3.025,5,0.389,0.57,0.997,0.44133369885545887,0.4152731135631554,0.24482557741073263,0.20783359605236104,0.327316496470427
EOS-3-38766,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)ccn2)c1,YLLTUYWVYJEIBN-UHFFFAOYSA-N,3,1,0.552,1,679,466.398,4.985,5,0.34,0.8,1.0,0.9145449249537386,0.8836440271400178,0.982489205674731,0.9573024467137277,0.9344951511205537
EOS-3-38767,COc1cc(-c2nnc3cncc(-c4ncc(-c5cc(F)ccc5F)cn4)n23)ccc1Cl,DSELKKYULWYCJM-UHFFFAOYSA-N,3,1,0.358,45,46,450.836,4.856,5,0.389,0.66,1.0,0.5455674730998561,0.7762661914879035,0.9254848879446234,0.9332550887533411,0.7951434103214311
EOS-3-38768,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2F)[nH]1,GBVBVBVPSGWIHW-UHFFFAOYSA-N,3,1,0.372,51,924,441.789,2.877,5,0.413,0.57,0.985,0.6435131245288191,0.6407717085874854,0.39614317044753616,0.46423308889041187,0.5361652731135632
EOS-3-38769,CCOc1ccc(-c2nnc3cncc(OCc4cnc(CO)c(Cl)c4)n23)cc1,RQAWQOCHRBUZJC-UHFFFAOYSA-N,3,1,0.573,90,636,411.849,3.31,4,0.498,0.71,1.0,0.7816633541224042,0.7371924473990816,0.6692310328284559,0.5768967171544103,0.691245887876088
EOS-3-38770,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1F,DDIPFFTWIZNAQM-UHFFFAOYSA-N,3,1,0.512,16,610,454.828,3.492,5,0.375,0.57,1.0,0.7556541703790007,0.7324292372010143,0.7275974916044137,0.7330032211637311,0.73717103008704
EOS-3-38771,Cc1cncc(CCc2nn(C3CC3)cc2-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)n1,LEHHADPQLSSQTA-UHFFFAOYSA-N,3,1,0.301,82,974,466.509,2.367,6,0.385,0.61,1.0,0.03133781097937084,0.037942910013021726,0.005577068055650744,0.006236721266534165,0.02027362757864437
EOS-3-38773,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)n1,ZPPNUZUWGYOFAJ-UHFFFAOYSA-N,3,1,0.457,87,838,416.42,2.742,5,0.393,0.71,1.0,0.46703447330546227,0.41980501679117266,0.347354533616613,0.302583784524707,0.38419445205948877
EOS-3-38774,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)cnn4)n23)nc1,JSRJGENVNZSMSY-UHFFFAOYSA-N,3,1,0.398,53,466,416.38,1.589,5,0.402,0.63,1.0,0.5249982866150367,0.459666917963128,0.07791618120759372,0.09841683229387979,0.2902495545199096
EOS-3-38775,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5cc(F)ccn5)c4)n23)cn1,MBVQCTOTTZZUJE-UHFFFAOYSA-N,3,1,0.575,11,595,471.883,4.534,5,0.358,0.72,1.0,0.9772633815365637,0.9829775203892811,0.8785124391748338,0.8839353025837845,0.9306721609211158
EOS-3-38776,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccnc(F)c1,JVOAITOMNFTVCN-UHFFFAOYSA-N,3,1,0.433,97,83,463.86,4.023,5,0.348,0.66,1.0,0.9100644232746213,0.8287043382907272,0.6912137619080255,0.640086354602152,0.7675172195188815
EOS-3-38777,Clc1cccc(OCc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)c1,HECQRECKDMPFMN-UHFFFAOYSA-N,3,1,0.427,14,18,419.897,5.147,5,0.394,0.86,1.0,0.3738520320745665,0.5456360084983894,0.7709289973271195,0.8166592419984923,0.626769069974642
EOS-3-38778,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)nn5)n34)cn2)nc1,ZJEZJRAYUPGECO-UHFFFAOYSA-N,3,1,0.483,28,297,464.514,4.346,6,0.358,0.7,1.0,0.4070917003632376,0.4198135837159893,0.3179785484202591,0.3025923514495237,0.3618690459872524
EOS-3-38779,c1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnco6)ncn5)n34)nc2)cnn1,BLJANTAOFNEWCK-UHFFFAOYSA-N,3,1,0.245,70,719,421.384,2.15,6,0.412,0.57,1.0,0.11025632239051471,0.05619045987252416,0.1383901034884518,0.1528853402782537,0.11443055650743611
EOS-3-38780,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)N6CCOCC6)cc5F)n34)nc2)n1,UEILXFDJAVNHDZ-UHFFFAOYSA-N,3,1,0.443,50,918,487.459,1.05,6,0.361,0.82,1.0,0.039502090329655265,0.0452419299568227,0.0020046604071002672,0.0037608799945171682,0.022627390172023847
EOS-3-38781,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ncccc5F)cnn4)n23)ccn1,XOKFSUGTFFLXPP-UHFFFAOYSA-N,3,1,0.467,54,873,432.394,2.938,5,0.377,0.58,1.0,0.6919676512918923,0.5891731204166952,0.520063737920636,0.544796449866356,0.5865002398738949
EOS-3-38782,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)cn5)n34)cn2)nc1,GKANTMMHOXKJQR-UHFFFAOYSA-N,3,1,0.326,32,191,417.432,4.57,6,0.415,0.76,1.0,0.13497190048660132,0.09774004523336303,0.5132187649921184,0.5181104790624358,0.31601029744362963
EOS-3-38783,FC(F)(F)c1ncc(Cc2cncc3nnc(-c4cnc(-c5ccnc(Cl)c5)cn4)n23)nn1,CRDVFPXMAZKVJP-UHFFFAOYSA-N,3,1,0.297,85,362,470.806,3.091,5,0.365,0.6,1.0,0.26116270303611816,0.35843156740456444,0.5671903913371257,0.5245699403742032,0.4278386505380029
EOS-3-38784,COc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(=O)NC6(C)CC6)cn5)n34)n2)cn1,LFIORKXWDPBDQC-UHFFFAOYSA-N,3,1,0.259,33,849,480.492,2.391,6,0.384,0.72,0.847,0.25560276883010075,0.11998834898224933,0.014203961346035228,0.012096497841134946,0.10047289424988007
EOS-3-38785,Cc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1ccnn1C,IPXHWBZGYUMLHK-UHFFFAOYSA-N,3,1,0.438,31,690,447.89,2.96,5,0.365,0.62,1.0,0.44609690905352617,0.45538345555479404,0.13839867041326845,0.12071653759166609,0.2901488931533137
EOS-3-38786,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)ccn1,MSMZUEKWTLTZJG-UHFFFAOYSA-N,3,1,0.489,65,361,414.404,2.799,5,0.391,0.72,1.0,0.8196747995339593,0.832165375916661,0.4644729627852786,0.4359965046946748,0.6380774107326435
EOS-3-38787,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)c(Cl)nn5)ncn4)n23)cn1,YNLNPXXLNQKHSL-UHFFFAOYSA-N,3,1,0.462,4,354,449.837,3.113,5,0.398,0.54,1.0,0.7406020834761154,0.7762747584127202,0.39981838119388663,0.3979422246590364,0.5786593619354397
EOS-3-38788,Cc1ccc(-c2nnc3cncc(-c4scnc4OCc4ccc(F)c(F)c4)n23)nc1,WQROSRQBASBEHA-UHFFFAOYSA-N,3,1,0.427,59,294,436.447,4.475,5,0.404,0.68,1.0,0.4869611404290316,0.5642433692001919,0.6829038448358578,0.6570060311150709,0.597778596395038
EOS-3-38789,Cn1nc(CF)cc1-c1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccn1,VHCVFXWGDFBBMX-UHFFFAOYSA-N,3,1,0.522,75,819,448.437,3.212,5,0.377,0.6,0.983,0.5250068535398533,0.4419590843670756,0.34736310054142966,0.32764203961346033,0.4104927695154547
EOS-3-38790,COc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ccn2)cn1,JMLNQGZJFMXKGW-UHFFFAOYSA-N,3,1,0.474,75,496,460.885,3.322,5,0.36,0.62,1.0,0.5980998560756631,0.6263707079706669,0.2699009663491193,0.23719244739908163,0.43289099444863266
EOS-3-38791,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(C#N)cc(-c5ccncc5)c4)n23)cc1,YDYLKILFQNOFSH-UHFFFAOYSA-N,3,1,0.346,41,867,454.497,4.792,6,0.38,0.66,1.0,0.1930556507436091,0.12720169967788364,0.8156740456445755,0.787831539990405,0.4809407340141183
EOS-3-38792,Cc1ccnc(-c2cnnc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)n1,UPJVETLJPTYSQL-UHFFFAOYSA-N,3,1,0.379,92,65,415.392,2.46,5,0.427,0.67,1.0,0.6318021383044342,0.5090381056815846,0.26990953327393596,0.2517219518881502,0.4156179322870262
EOS-3-38793,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)c1,NYKWYZRRDXYMSN-UHFFFAOYSA-N,3,1,0.545,19,442,421.367,3.136,5,0.385,0.68,1.0,0.7614539784798848,0.5983568638201631,0.5200723048454526,0.5378743746144884,0.6044393804399972
EOS-3-38794,Fc1cccc(-c2cc(-c3nnc4cncc(COc5ncc(Cl)cn5)n34)nc(F)n2)c1,NQYHPMXZIPHNNS-UHFFFAOYSA-N,3,1,0.364,73,767,452.812,3.549,5,0.373,0.6,1.0,0.46957028305119597,0.5001542046467,0.5132273319169351,0.5834418477143445,0.5165984168322939
EOS-3-38795,Clc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,OKPPGDRMVUDOIP-UHFFFAOYSA-N,3,1,0.333,69,152,462.904,5.026,6,0.362,0.74,1.0,0.2664656294976355,0.36287780138441506,0.7639126859022686,0.8145432115687753,0.5519498320882736
EOS-3-38796,Cc1cnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cn5)n34)s2)cn1,BBQKCTJOODUSNR-UHFFFAOYSA-N,3,1,0.32,70,944,468.481,3.671,6,0.381,0.63,0.989,0.14313617983688576,0.25333253375368375,0.1292834624083339,0.17413988074840656,0.1749730141868275
EOS-3-38797,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)nn3)n12,XXLGJVWFPZUVQJ-UHFFFAOYSA-N,3,1,0.53,27,534,467.386,4.38,5,0.354,0.75,1.0,0.7675193612500857,0.8672212322664656,0.9573367144129943,0.9138595709684052,0.8764842197244878
EOS-3-38798,Clc1cc(-c2nnc3cncc(OCCc4nccs4)n23)cc(-c2cnccn2)n1,IYUVCQLXOYZLAR-UHFFFAOYSA-N,3,1,0.607,75,324,436.888,3.375,5,0.373,0.62,0.999,0.5583064903022411,0.6997978205743266,0.1564320471523542,0.20784216297717772,0.40559463025152487
EOS-3-38799,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5Cl)c4)n23)cn1,LUMGMJSCPFHMNH-UHFFFAOYSA-N,3,1,0.518,1,709,427.895,5.394,5,0.376,0.87,1.0,0.7983688575149065,0.8492906586251799,0.8771674319786169,0.8811253512439174,0.8514880748406553
EOS-3-38800,CCOc1ccc(F)cc1-c1nnc2cncc(-c3ncc(-c4ccncc4)s3)n12,FBAUNNKZXQDTTN-UHFFFAOYSA-N,3,1,0.395,96,680,418.457,4.515,5,0.418,0.77,1.0,0.24803817421698307,0.41982215064080597,0.5234905078473031,0.5011908025495169,0.42313540881365225
EOS-3-38801,Cc1cnc(CCOc2cncc3nnc(-c4cnnc(-c5cnc(C)s5)c4)n23)cn1,BTPPBOTVWWZQEK-UHFFFAOYSA-N,3,1,0.432,92,658,431.485,2.733,5,0.4,0.59,1.0,0.3784353368514838,0.30464841340552395,0.04310019875265575,0.030395449249537385,0.18914484956480024
EOS-3-38802,Cc1ncc(Cc2cncc3nnc(-c4ccc(COC(=O)C(F)F)nc4)n23)cn1,ZLQIVANGRUVPGB-UHFFFAOYSA-N,3,1,0.369,68,364,411.372,2.184,4,0.444,0.73,1.0,0.2908984990747721,0.25828421629771775,0.362492289767665,0.23720101432389828,0.28721900486601326
EOS-3-38803,Clc1cncc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccn4)n23)c1,ORXWEDRNQSEHHY-UHFFFAOYSA-N,3,1,0.461,24,89,450.289,4.529,5,0.364,0.7,0.999,0.811870331025975,0.8554502775683641,0.6380902611198684,0.727409019258447,0.7582049722431636
EOS-3-38804,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc(C#N)n2)nn1,WGHSLFFQABDYFM-UHFFFAOYSA-N,3,1,0.485,58,241,469.896,3.493,5,0.367,0.63,0.984,0.8223562470015763,0.8248749228976766,0.44340689466109245,0.44535158659447605,0.6339974127887054
EOS-3-38805,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)cc1F,JBTVKBMAMOFGJZ-UHFFFAOYSA-N,3,1,0.539,11,490,464.863,4.801,5,0.359,0.72,1.0,0.9455914604893427,0.9364762524844082,0.8965543828387362,0.9138681378932219,0.9231225584264273
EOS-3-38806,Fc1cc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3cnccc3Cl)n12,SMQNIKQTRRSBDY-UHFFFAOYSA-N,3,1,0.553,88,0,464.863,4.801,5,0.359,0.72,1.0,0.9602237680762113,0.9642673565896785,0.8930076759646357,0.9138767048180385,0.932843876362141
EOS-3-38807,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5cccnc5F)cnn4)n23)c1F,LBOYOPZPEQXFDK-UHFFFAOYSA-N,3,1,0.417,18,265,450.384,3.077,5,0.364,0.59,0.999,0.7701751079432527,0.67497943938044,0.7248989102871634,0.7330117880885477,0.7257663114248509
EOS-3-38808,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cn2)n1,YXKZQODMEOTDRB-UHFFFAOYSA-N,3,1,0.299,70,790,439.464,3.73,6,0.404,0.56,1.0,0.242495373860599,0.2329432526900144,0.13840723733808513,0.1358028921938181,0.18741218902062917
EOS-3-38809,OCc1nnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ns2)s1,UYRZWYLEOLAYIK-UHFFFAOYSA-N,3,1,0.406,46,910,459.463,3.116,5,0.412,0.67,0.374,0.4483243095058598,0.39137996024946886,0.2343225275854979,0.3242752381605099,0.3495755088753341
EOS-3-38810,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)n1,JSZPKCDGULVBTL-UHFFFAOYSA-N,3,1,0.548,24,912,413.416,3.67,5,0.434,0.74,1.0,0.6347662942910013,0.5456445754232061,0.5234990747721198,0.4610890274826948,0.5412497429922555
EOS-3-38811,COc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cc(F)nc(F)c5)c4)n23)c1,LAEWMWCJBCHMPK-UHFFFAOYSA-N,3,1,0.632,11,352,460.444,4.157,5,0.337,0.7,1.0,0.8223648139263929,0.7720426975532863,0.8482197930230965,0.7666198341443355,0.8023117846617778
EOS-3-38812,OCc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)s4)n23)cn1,JPNOQTYQISZTFR-UHFFFAOYSA-N,3,1,0.462,4,205,418.442,2.171,5,0.442,0.64,1.0,0.40471866218902064,0.44661949146734287,0.1122010143238983,0.09842539921869646,0.2654911417997396
EOS-3-38813,Clc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)cn2)cs1,WFBDMLXFTWBTBG-UHFFFAOYSA-N,3,1,0.61,58,579,440.941,4.646,5,0.382,0.7,0.999,0.7787591666095538,0.8584487012541978,0.3031834692618738,0.34684908505242956,0.5718101055445137
EOS-3-38814,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4nc(C)n[nH]4)n23)cc1,BTVAPHSLNIIQFE-UHFFFAOYSA-N,3,1,0.256,98,882,463.509,3.534,6,0.411,0.6,0.983,0.09552977863066274,0.060071276814474675,0.02745699403742033,0.026643136179836886,0.052425296415598656
EOS-3-38815,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)nn1C,OBCVKJONXQPWMM-UHFFFAOYSA-N,3,1,0.415,31,569,453.869,2.734,5,0.389,0.55,0.941,0.36002501542046467,0.2894164210814886,0.3327136591049277,0.35968233842779795,0.3354593585086697
EOS-3-38816,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5F)cc4)n23)nn1,MCBFGALXFDGBNY-UHFFFAOYSA-N,3,1,0.413,77,622,464.464,4.58,6,0.368,0.71,1.0,0.6347748612158179,0.617598176958399,0.5704458227674594,0.5769052840792269,0.5999310362552258
EOS-3-38817,CCn1nc(C)c(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnc6)nc5)n34)cn2)c1C,ZARCVBDBHXIMOX-UHFFFAOYSA-N,3,1,0.297,42,780,474.532,4.206,6,0.365,0.74,1.0,0.07507196216846002,0.056199026797340824,0.07792474813241039,0.06856966623260914,0.06944135083270508
EOS-3-38818,COc1ncc(F)cc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccn1,IIMWRJBHXUGDDI-UHFFFAOYSA-N,3,1,0.522,24,183,463.86,4.023,5,0.348,0.68,1.0,0.6038996641765472,0.6458604619285861,0.6143170447536153,0.5578438763621411,0.6054802618052224
EOS-3-38819,Cc1cccc(-n2cc(-c3cncc4nnc(-c5cnc(C)nc5-c5ccc(F)cc5)n34)nn2)n1,VXXGTZWHOPZAHT-UHFFFAOYSA-N,3,1,0.33,10,783,464.468,3.647,6,0.389,0.61,0.754,0.01477794530875197,0.15651771640052087,0.23774073058734838,0.2755894044273867,0.17115644918100198
EOS-3-38820,N#Cc1cccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)c2)c1,KJEQWWIGAJDTTO-UHFFFAOYSA-N,3,1,0.392,93,472,417.428,4.695,5,0.455,0.75,1.0,0.2743214995545199,0.11666438215338222,0.8859827976149681,0.84977897333973,0.5316869131656501
EOS-3-38821,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)cc1F,SQVCTKMWZIOVFU-UHFFFAOYSA-N,3,1,0.302,74,997,460.408,2.158,6,0.395,0.52,1.0,0.0653056678774587,0.18098485367692413,0.1886351175382085,0.2933743403467891,0.1820749948598451
EOS-3-38822,Cn1ccc(-c2cc(F)ccc2-c2nnc3cncc(-c4ccc(-c5nccn5C)s4)n23)n1,YSFFOPDUWQUIDT-UHFFFAOYSA-N,3,1,0.318,76,750,456.51,4.46,6,0.391,0.62,1.0,0.14568912343225277,0.34396203138921255,0.4212099924611062,0.42964841340552395,0.33512739017202386
EOS-3-38823,Fc1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1cccnc1,IDJICYZFMKWFMI-UHFFFAOYSA-N,3,1,0.53,35,795,413.416,3.404,5,0.421,0.73,1.0,0.9145534918785553,0.9059265985881708,0.4921783976423823,0.514829346857652,0.7068719587416901
EOS-3-38824,CCn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccn1,NTYFCICJASTFDF-UHFFFAOYSA-N,3,1,0.575,75,359,412.457,3.086,5,0.405,0.79,1.0,0.2718456582825029,0.08536940579809471,0.17892879172092385,0.1405147008429854,0.16916463916112673
EOS-3-38825,Fc1cc2ncnc(CCOc3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)c2cn1,WLEMWZXJJDYZMK-UHFFFAOYSA-N,3,1,0.425,80,262,466.44,2.742,6,0.338,0.63,1.0,0.7226543759851963,0.8014101158248236,0.1854910561304914,0.20187958330477693,0.47785878281132205
EOS-3-38826,Cn1ncnc1-c1ncc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cn1,SWGJMINENWYVGV-UHFFFAOYSA-N,3,1,0.407,51,48,421.812,1.399,5,0.409,0.58,1.0,0.40710026728805426,0.4242855184702899,0.017844904393119046,0.02232540607223631,0.2178890240559249
EOS-3-38827,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CC(F)(F)C5)cn4)n23)cc1,YVXRMFJIIBWEFT-UHFFFAOYSA-N,3,1,0.384,0,334,489.486,2.76,6,0.447,0.75,0.999,0.30405729559317385,0.22807723939414706,0.07993797546432732,0.16339695702830512,0.19386736686998834
EOS-3-38828,Cc1cncc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)n1,GAUPQDHDHUMAEG-UHFFFAOYSA-N,3,1,0.478,27,69,446.421,3.863,5,0.387,0.59,1.0,0.6318107052292509,0.5983654307449798,0.5959409910218628,0.4642416558152286,0.5725896957028306
EOS-3-38829,Fc1ccc(F)c(-c2cc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)ccn2)n1,LZZQGWWDWYTPKL-UHFFFAOYSA-N,3,1,0.359,45,102,438.8,4.986,5,0.371,0.73,1.0,0.4720461243232129,0.732437804125831,0.9604550750462614,0.9738194777602632,0.7846896203138921
EOS-3-38830,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,GIZMYSUAUYCKRJ-UHFFFAOYSA-N,3,1,0.471,24,786,439.863,4.076,5,0.381,0.66,1.0,0.7956788431224727,0.8056164759098075,0.6665324515112055,0.6745425262147899,0.7355925741895688
EOS-3-38831,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5c(C)nn(C)c5C)cnc4F)n23)cn1,YYPIGDVRXCNHPQ-UHFFFAOYSA-N,3,1,0.472,92,205,444.474,3.625,5,0.382,0.63,1.0,0.49430299499691593,0.437821259680625,0.3288071413885272,0.21089198821191146,0.36795584606949494
EOS-3-38832,COCc1nc(Cl)cc(-c2cncc3nnc(-c4ccncc4Oc4ccccc4)n23)n1,HXMAHUOTOLYBEM-UHFFFAOYSA-N,3,1,0.352,96,586,445.87,4.235,5,0.358,0.68,0.8,0.42993112192447397,0.36788088547734904,0.3998269481187033,0.42643581659927354,0.40601869302995
EOS-3-38833,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c(Cl)nn1,IGKMINLBWDPBRJ-UHFFFAOYSA-N,3,1,0.523,4,32,465.304,4.233,5,0.38,0.65,1.0,0.7787677335343705,0.9080597628675211,0.5132358988417518,0.5955126447810294,0.6988940100061681
EOS-3-38834,Fc1cccnc1CCOc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,VGWWOCAUUWXZOV-UHFFFAOYSA-N,3,1,0.461,11,503,412.428,4.009,5,0.419,0.8,1.0,0.6711671578370229,0.6219501747652663,0.547220889589473,0.6013381536563636,0.6104190939620314
EOS-3-38835,Cc1csc(COc2cncc3nnc(-c4csc(-c5nnc(C)s5)c4)n23)n1,RXQYGZBSIVKKMM-UHFFFAOYSA-N,3,1,0.459,92,464,427.54,4.024,5,0.418,0.67,1.0,0.22616681516003015,0.16810019875265575,0.016911109588102255,0.011719553149201563,0.10572441916249745
EOS-3-38836,Cn1nc(-c2ncc(F)cn2)cc1Oc1cncc2nnc(-c3ccc(-c4cccnn4)nc3)n12,AQWZESSUXXIWIG-UHFFFAOYSA-N,3,1,0.343,6,843,467.428,2.765,6,0.372,0.61,0.793,0.45994105955726133,0.4553920224796107,0.1442413131382359,0.13581145911863476,0.2988464635734357
EOS-3-38837,CCn1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)nn5)n34)cc2)n1,WAFWWSWLSUVXCZ-UHFFFAOYSA-N,3,1,0.353,67,789,465.481,3.053,6,0.365,0.63,1.0,0.27433006647933655,0.24351483791378248,0.057218490850524294,0.03766876841888835,0.15318304091563292
EOS-3-38838,COc1nc(-c2cnc(C)nc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,FGJLBHPLMFGFEX-UHFFFAOYSA-N,3,1,0.427,92,617,461.873,2.983,5,0.372,0.6,0.903,0.4746333356178466,0.477383318483997,0.172580700431773,0.12072510451648276,0.3113306147625248
EOS-3-38839,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)ncn4)n23)cc1Cl,QINRHDMVMZMXLQ-UHFFFAOYSA-N,3,1,0.634,44,130,464.863,4.801,5,0.359,0.75,0.999,0.9240113768761565,0.8918511411143856,0.9033565211431704,0.9236344321842231,0.9107133678294839
EOS-3-38840,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)cc2F)nc1,OBCNXMULJYMDES-UHFFFAOYSA-N,3,1,0.57,35,325,461.888,4.366,5,0.347,0.68,1.0,0.9683195120279624,0.9660407100267288,0.6318621067781509,0.642922006716469,0.8022860838873278
EOS-3-38841,Cc1snnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,SELXWHYQOAEDNC-UHFFFAOYSA-N,3,1,0.658,43,909,434.912,4.851,5,0.393,0.8,1.0,0.7288482626276471,0.8492992255499966,0.5539973271194572,0.6280926598588171,0.6900593687889794
EOS-3-38842,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccc4F)n23)cc1,LLDNIIBHLTYKBH-UHFFFAOYSA-N,3,1,0.512,40,868,479.479,3.762,6,0.355,0.72,1.0,0.6892348022753753,0.5228137207867863,0.6289322184908506,0.5738897265437598,0.603717617024193
EOS-3-38843,COCc1ccc(-c2nnc3cncc(-c4ccnc(-c5nnc(C(F)F)s5)c4)n23)cn1,FVGGRXBHYWMMER-UHFFFAOYSA-N,3,1,0.36,50,243,452.45,3.851,5,0.383,0.63,1.0,0.2664741964224522,0.33376739085737783,0.3473716674662463,0.2904615859091221,0.3095187101637996
EOS-3-38844,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5Cc6ccccc6C5)nc4)n23)cc1C,IXYJZYZXQKHEFA-UHFFFAOYSA-N,3,1,0.404,62,124,489.539,3.677,6,0.413,0.9,1.0,0.18749571653759167,0.056207593722157494,0.14713693372626963,0.1293348639572339,0.13004377698581318
EOS-3-38845,CCCc1nc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)nc(C(F)F)n1,KZXWBDRGTSPXIO-UHFFFAOYSA-N,3,1,0.318,50,489,448.441,3.329,5,0.389,0.62,0.356,0.29090706599958877,0.21759989034336236,0.03873106709615516,0.033582345281337814,0.14520509218011105
EOS-3-38846,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5scnc5Cl)cn4)n23)cn1,PNUYJCCLLFNYFQ-UHFFFAOYSA-N,3,1,0.557,4,205,435.9,4.246,5,0.407,0.67,1.0,0.5865259406483448,0.7093585086697279,0.43231272702350765,0.4072544719347543,0.5338629120690837
EOS-3-38847,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nc4F)n23)n1,BJINLLFBUOJERH-UHFFFAOYSA-N,3,1,0.479,58,24,429.419,2.502,5,0.375,0.61,0.999,0.722662942910013,0.7417500514015489,0.14424988006305256,0.12934343088205058,0.4345015763141662
EOS-3-38848,Cc1nc(-c2ncon2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,GRMSHYQRFKEPOP-UHFFFAOYSA-N,3,1,0.473,58,954,434.847,3.215,5,0.371,0.66,1.0,0.6347834281406346,0.6176067438832157,0.1350918374340347,0.1634055239531218,0.3877218833527517
EOS-3-38849,Fc1ccc(Cc2cncc3nnc(-c4cccnc4-c4cccnc4)n23)cc1-c1cncnc1,ZNGRTOZFFPNUCU-UHFFFAOYSA-N,3,1,0.378,42,809,460.476,4.435,6,0.375,0.65,0.874,0.32436090740867657,0.3822133506956343,0.7067884312247276,0.722174628195463,0.5338843293811254
EOS-3-38850,Fc1ccc(C(F)(F)c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)cc1,XOCNOJOAZHDGRO-UHFFFAOYSA-N,3,1,0.4,57,358,435.384,5.272,5,0.361,0.83,0.998,0.35299157014598037,0.5317061887464876,0.9957765060653828,0.9964789939003496,0.71923831471455
EOS-3-38851,CCc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccncn1,QVNBEXHMTCHIPU-UHFFFAOYSA-N,3,1,0.424,58,954,458.913,3.876,5,0.338,0.67,0.942,0.6406175039407854,0.6848999383181413,0.2095469810156946,0.22839421561236378,0.4408646597217463
EOS-3-38852,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnn(C)c5)n4)n23)c(F)n1,LSBNXFSEYZKPIB-UHFFFAOYSA-N,3,1,0.467,4,677,416.42,3.008,5,0.406,0.69,1.0,0.39430984853676926,0.4554005894044274,0.3660304297169488,0.27559797135220343,0.3728347097525872
EOS-3-38853,Cc1ncc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,IUABOMHUYWNQGX-UHFFFAOYSA-N,3,1,0.451,92,728,434.851,2.313,5,0.383,0.58,1.0,0.43681036255225825,0.5735984510999932,0.12108491535878281,0.14542354876293606,0.31922931944349253
EOS-3-38854,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnc(F)cn6)c5)n34)nc2)cs1,BMCSQJIRIPOWMC-UHFFFAOYSA-N,3,1,0.295,32,179,466.505,4.881,6,0.365,0.75,1.0,0.10557021451579741,0.23804057295593173,0.5060568158453841,0.49160441367966556,0.33531800424919467
EOS-3-38855,Fc1cc(Cl)cc(OCc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,WTZIFAVPBVWRIL-UHFFFAOYSA-N,3,1,0.404,14,767,437.887,5.286,5,0.374,0.79,1.0,0.4648413405523953,0.560011308340758,0.8747344253306834,0.8964344458913028,0.6990053800287849
EOS-3-38856,CCn1nncc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4F)n23)c1,BSNHIQGTJRYVIO-UHFFFAOYSA-N,3,1,0.479,43,521,458.432,3.799,5,0.381,0.62,1.0,0.4772462476869303,0.5001627715715167,0.7664827633472688,0.730193269823864,0.618521263107395
EOS-3-38857,Fc1cc(F)c(COc2cncc3nnc(-c4ccnc(-c5cc(Cl)ccn5)c4)n23)cn1,ZGQOZRXOWXNMET-UHFFFAOYSA-N,3,1,0.512,24,912,451.824,4.154,5,0.371,0.64,1.0,0.8144575423206086,0.8209427044068262,0.8621753135494483,0.8728668357206497,0.8426105989993832
EOS-3-38858,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ccccc1,WXDSQEUNIUALSA-UHFFFAOYSA-N,3,1,0.541,1,347,429.505,4.811,5,0.386,0.76,1.0,0.4159327667740388,0.3388475772736618,0.44688506613665957,0.3596909053526146,0.3903390788842437
EOS-3-38859,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)cn5)cn4)n23)ccc1Cl,XDZPLGJNJHXCEK-UHFFFAOYSA-N,3,1,0.488,7,212,465.304,4.233,5,0.38,0.66,1.0,0.6892433692001919,0.8584572681790145,0.5927198272907956,0.6400949215269687,0.6951288465492427
EOS-3-38860,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c(F)c2)nc1,YFLLPKRPPRLMES-UHFFFAOYSA-N,3,1,0.59,35,325,465.851,4.196,5,0.347,0.68,1.0,0.9668288671098623,0.9695188815022959,0.780172709204304,0.797092385717223,0.8784032108834212
EOS-3-38861,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ncc(F)nn5)cn4)n23)cc1,QEZAKKCBOQZCQE-UHFFFAOYSA-N,3,1,0.41,14,886,412.432,3.271,5,0.437,0.72,1.0,0.4047272291138373,0.4907048865739154,0.2626961825783017,0.2786306627373038,0.35918974025083955
EOS-3-38862,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncccn6)n5)n34)cn2)n1,UPPXBVSLKMGKCD-UHFFFAOYSA-N,3,1,0.382,80,34,465.437,2.371,6,0.354,0.64,1.0,0.36444554862586526,0.2894249880063053,0.0372575560276883,0.02577787677335344,0.17922649235830307
EOS-3-38863,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)n1,ZMAQPDIJOKCASX-UHFFFAOYSA-N,3,1,0.457,18,384,447.861,4.057,5,0.362,0.61,1.0,0.7583099170721678,0.7093670755945446,0.6585823452813379,0.6863820163114248,0.7031603385648687
EOS-3-38864,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c(F)c2)n1,JVOPLDFYGKTSLC-UHFFFAOYSA-N,3,1,0.494,36,258,455.816,2.887,5,0.372,0.59,1.0,0.6618377767116715,0.7140360496196285,0.570454389692276,0.6044051127407306,0.6376833321910766
EOS-3-38865,CCCc1nnc(COc2cncc3nnc(-c4ccc(-c5cnc(C)o5)cc4)n23)o1,IJSWTNQQXANEMK-UHFFFAOYSA-N,3,1,0.488,15,677,417.429,3.669,5,0.391,0.71,1.0,0.40058083750257006,0.29964532931258997,0.04161812075937221,0.03138064560345418,0.19330623329449662
EOS-3-38866,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5ccc(F)c(F)c5)c4)n23)c(F)c1,FSQVYCUDNWBDNR-UHFFFAOYSA-N,3,1,0.5,13,236,437.356,5.202,5,0.362,0.79,1.0,0.9022342539921869,0.9179716948804058,0.9842539921869645,0.9858131725035981,0.9475682783907888
EOS-3-38867,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cocn5)n34)c(C)c2)nn1,MFJARPPROVJMPM-UHFFFAOYSA-N,3,1,0.245,39,495,448.45,3.372,6,0.395,0.54,1.0,0.07699952025221027,0.024227263381536565,0.12109348228359948,0.12307244191624975,0.08634817695839903
EOS-3-38868,Cc1ncsc1CCOc1cncc2nnc(-c3ccc(-c4nccn4C)cc3Cl)n12,CTMXUVFYSZSRIC-UHFFFAOYSA-N,3,1,0.553,37,353,451.943,4.232,5,0.384,0.65,1.0,0.6039082311013638,0.6800767596463574,0.219930093893496,0.254746076348434,0.4396652902474128
EOS-3-38869,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5ccc(Cl)cc5)n34)n2)nc1,GDPGBIRMMMTATK-UHFFFAOYSA-N,3,1,0.298,39,527,471.847,3.079,6,0.381,0.62,0.962,0.039510657254471934,0.217608457268179,0.1384158042629018,0.3213624837228429,0.1792243506270989
EOS-3-38870,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccc(C)nc1,JLYIFMFALQADNC-UHFFFAOYSA-N,3,1,0.516,35,657,457.469,3.721,5,0.341,0.68,1.0,0.7257470358440135,0.7140446165444452,0.5472294565142897,0.3823675553423343,0.5923471660612707
EOS-3-38871,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)c1-c1cccnc1Cl,SUVKDRWDZQWOJP-UHFFFAOYSA-N,3,1,0.29,70,968,454.885,3.692,6,0.404,0.59,0.45,0.0835103831128778,0.25829278322253446,0.35126961825783015,0.41375676787060517,0.2767073881159619
EOS-3-38872,Fn1nccc1-c1cnc(CCc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)nc1,YPSOARQEMUEERN-UHFFFAOYSA-N,3,1,0.301,85,362,456.367,2.771,5,0.371,0.59,0.999,0.3344955794667946,0.41528168048797204,0.6083972997052978,0.5113169076828181,0.46737286683572066
EOS-3-38873,N#Cc1ccc(F)c(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)c1,QERQCCVHKDNENH-UHFFFAOYSA-N,3,1,0.46,27,69,474.406,4.171,5,0.36,0.76,1.0,0.8276591734630937,0.8988331848399699,0.9152474127887054,0.8796518401754506,0.8803479028168049
EOS-3-38874,COc1ncc(-c2cnc(C)nn2)cc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,WAYQLIOLHSFLED-UHFFFAOYSA-N,3,1,0.293,86,790,475.476,2.874,6,0.363,0.66,1.0,0.24514255362894935,0.10767767802069769,0.14714550065108628,0.09843396614351313,0.1495999246110616
EOS-3-38875,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccnn5)n34)c2)ccn1,GVTQBAGZJUYCKW-UHFFFAOYSA-N,3,1,0.462,87,838,414.404,2.799,5,0.391,0.73,1.0,0.5778733465835104,0.6029573024467137,0.41755191556438903,0.4201648276334727,0.5046368480570215
EOS-3-38876,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)c1,OQSGONNTZNYQDN-UHFFFAOYSA-N,3,1,0.495,87,307,447.861,4.057,5,0.387,0.59,1.0,0.8144661092454253,0.7970238503186896,0.6829124117606744,0.7382461791515318,0.7581621376190804
EOS-3-38877,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)n1C,DHCZBDOYXFOISX-UHFFFAOYSA-N,3,1,0.456,55,879,432.875,3.523,5,0.392,0.59,1.0,0.5954355424576794,0.6312452881913508,0.45047460763484337,0.40101775066822015,0.5195432972380234
EOS-3-38878,Cc1ccc(-c2nnc3cncc(-c4cc(F)ccc4OCc4ccc(F)c(F)c4)n23)cn1,KCBLUUBFEZNTSB-UHFFFAOYSA-N,3,1,0.448,57,533,447.42,5.158,5,0.373,0.76,1.0,0.6618463436364882,0.8209512713316428,0.9698358577205126,0.9590843670755945,0.8529294599410595
EOS-3-38879,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)nc4Cl)n23)nc1,OSLFAVJKPPXDGY-UHFFFAOYSA-N,3,1,0.489,4,617,450.915,3.949,5,0.371,0.68,1.0,0.4368189294770749,0.5789870468096772,0.12629360564731684,0.14052326776780208,0.32065571242546775
EOS-3-38880,Cc1nn(C)cc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)c1,UTAFOHLEYKRKNM-UHFFFAOYSA-N,3,1,0.535,43,250,460.925,4.225,5,0.408,0.7,1.0,0.6233551504351997,0.6558494962648208,0.8034576108560071,0.7408847919950654,0.7058867623877733
EOS-3-38881,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncc(F)nn5)c4)n23)cc1,DJUVAYAHMAGRSE-UHFFFAOYSA-N,3,1,0.529,36,571,415.392,2.46,5,0.427,0.62,0.992,0.8713076554040162,0.7417586183263656,0.23071585223768076,0.23120416695223084,0.5187465732300733
EOS-3-38882,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)nn5)ncn4)n23)cc1,CGANOKJGCQHNGD-UHFFFAOYSA-N,3,1,0.494,36,463,415.392,2.46,5,0.427,0.62,1.0,0.7010314577479269,0.684908505242958,0.20955554794051126,0.19886402576930984,0.44858988417517653
EOS-3-38883,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)cn1,DPDKEYDFVDMWIT-UHFFFAOYSA-N,3,1,0.482,55,980,469.267,4.063,5,0.38,0.66,1.0,0.8196833664587759,0.8132239051470084,0.7403707765060654,0.7971009526420396,0.7925947501884723
EOS-3-38884,N#Cc1ccc(-c2nnc3cncc(OCc4cccs4)n23)cc1-c1cncc(Cl)n1,BIRBMXZCZFOAIC-UHFFFAOYSA-N,3,1,0.576,4,731,445.895,4.414,5,0.394,0.68,1.0,0.792783222534439,0.8644198478514152,0.7144044273867453,0.72483037488863,0.7741094681653073
EOS-3-38885,Cc1ncncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1F,QTZALRKXEAWETN-UHFFFAOYSA-N,3,1,0.534,4,71,447.861,4.323,5,0.396,0.61,0.97,0.7406106504009321,0.8321739428414776,0.7928174902337057,0.7878401069152217,0.7883605475978344
EOS-3-38886,Cc1cc(CCOc2cncc3nnc(-c4cccc(-c5cnc(F)cn5)c4)n23)nc(Cl)n1,VSTHLTKEKBNQND-UHFFFAOYSA-N,3,1,0.469,15,846,462.876,3.761,5,0.351,0.65,1.0,0.8535826879583305,0.8321825097662943,0.4070145980398876,0.4105013364402714,0.6258202830511959
EOS-3-38887,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cnc2F)cn1,LBSGTCANRKRCDI-UHFFFAOYSA-N,3,1,0.469,87,552,462.876,3.761,5,0.351,0.65,1.0,0.8118788979507916,0.8321910766911109,0.4990405044205332,0.504694674799534,0.6619512884654923
EOS-3-38888,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)c(F)n4)n23)n1,RRVLXCZVAKFQKM-UHFFFAOYSA-N,3,1,0.422,53,237,440.489,3.496,5,0.383,0.63,1.0,0.4114865327941882,0.47739188540881367,0.03468747858268796,0.03239154273182099,0.2389893598793777
EOS-3-38889,COCc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cn1,DDJQRXLCKJAUQY-UHFFFAOYSA-N,3,1,0.369,82,680,413.416,3.596,5,0.407,0.76,1.0,0.4005894044273867,0.46839661435131247,0.6585909122061545,0.607643410321431,0.5338050853265712
EOS-3-38890,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)c(F)c4)n23)n1,IXSGLSKMUKIFEL-UHFFFAOYSA-N,3,1,0.311,32,693,465.427,4.046,6,0.359,0.63,1.0,0.3092145843328079,0.3533428140634638,0.6639281063669386,0.7116887122198615,0.5095435542457679
EOS-3-38891,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(=N)[nH]n5)cn4)n23)cc1,PBODKAOUWZGVNJ-UHFFFAOYSA-N,3,1,0.295,38,154,447.466,2.518,6,0.423,0.64,1.0,0.1431447467617024,0.07839592899732711,0.2591323418545679,0.21675176478651223,0.1743561956000274
EOS-3-38892,FCc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)c1,KQEOXPVLOIJEOC-UHFFFAOYSA-N,3,1,0.494,65,393,428.431,3.129,5,0.389,0.57,1.0,0.6008155712425468,0.5047118086491673,0.47153210883421287,0.4264443835240902,0.5008759680625042
EOS-3-38893,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2C)cn1,ZPKFKVWEHXHOGI-UHFFFAOYSA-N,3,1,0.43,18,720,458.913,3.93,5,0.377,0.61,0.992,0.6832293879788911,0.6654187512850387,0.31798711534507573,0.29952539236515663,0.49154016174354054
EOS-3-38894,Cc1csc(COc2cncc3nnc(-c4ccc(Cl)c(-c5nnc(C)s5)c4)n23)n1,PZNDTICHPWHBTJ-UHFFFAOYSA-N,3,1,0.524,4,677,455.956,4.616,5,0.382,0.71,1.0,0.52501542046467,0.7504711808649167,0.12929202933315057,0.16881982043725585,0.39339961277499824
EOS-3-38895,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,OWPYNKQHCAMZNT-UHFFFAOYSA-N,3,1,0.544,40,120,460.501,4.321,6,0.365,0.66,1.0,0.4114950997190049,0.2583013501473511,0.49904907134534987,0.4010263175930368,0.3924679597011857
EOS-3-38896,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cnncc3-c3cnc(F)c(F)c3)n12,HICHWWHFVBVVCZ-UHFFFAOYSA-N,3,1,0.378,45,575,439.788,4.381,5,0.388,0.62,1.0,0.407108834212871,0.7047837708176273,0.957859296826811,0.9722431635939963,0.7604987663628264
EOS-3-38897,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)nn2C)cn1,LVRXDMANCWIJIK-UHFFFAOYSA-N,3,1,0.394,95,956,440.389,3.618,5,0.388,0.61,1.0,0.3217051607155096,0.38677952162291823,0.6556096223699541,0.6076519772462476,0.4929365704886574
EOS-3-38898,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nccc(=N)o5)nc(Cl)n4)n23)cn1,QDWNHKZVIFMMQS-UHFFFAOYSA-N,3,1,0.453,24,786,458.829,2.215,5,0.386,0.71,0.831,0.540255979713522,0.5736070180248098,0.24140737440888219,0.21402748269481187,0.3923244637105065
EOS-3-38899,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nc2Cl)cn1,GMZIMXGNEYVUMC-UHFFFAOYSA-N,3,1,0.553,46,294,465.851,4.462,5,0.354,0.71,0.992,0.8689517510794326,0.8170875882393256,0.8303149201562607,0.8264512370639435,0.8357013741347407
EOS-3-38900,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)cs1,WLOHKRPDIVDBDI-UHFFFAOYSA-N,3,1,0.432,87,349,416.47,3.03,5,0.416,0.71,1.0,0.4670430402302789,0.3247464190254266,0.07994654238914399,0.06346377904187513,0.23379994517168118
EOS-3-38901,c1csc(-c2nc(COc3cncc4nnc(-c5ccc(-n6nccn6)nc5)n34)cs2)c1,UTJRKUIAFCLNNG-UHFFFAOYSA-N,3,1,0.457,6,843,459.52,3.531,6,0.372,0.7,1.0,0.18750428346240833,0.2077907614282777,0.06117641011582482,0.05747549859502433,0.1284867384003838
EOS-3-38902,c1ccc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccncc6)nc5)n34)c2)cc1,LXSNZLFAOVCYQV-UHFFFAOYSA-N,3,1,0.352,93,987,427.471,4.977,6,0.395,0.71,1.0,0.16245459529847167,0.13041429648413405,0.6412771571516689,0.6920190528407922,0.4065412754437667
EOS-3-38903,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c1,YJMMOSAXHTZMGK-UHFFFAOYSA-N,3,1,0.483,16,79,436.838,3.353,5,0.39,0.58,1.0,0.532597148927421,0.5317147556713042,0.6500411212391201,0.6542474813241039,0.5921501267904873
EOS-3-38904,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nn2C)c1,FKLFMUUTYONWKY-UHFFFAOYSA-N,3,1,0.619,19,570,462.916,4.914,5,0.358,0.79,1.0,0.5377030361181551,0.5409413336988554,0.786777808237955,0.7948649852648894,0.6650717908299637
EOS-3-38905,Fc1ccncc1CCOc1cncc2nnc(-c3cncnc3-c3ccc(C(F)F)nc3)n12,YHRKYKMIVQKDKP-UHFFFAOYSA-N,3,1,0.49,65,76,464.411,3.737,5,0.359,0.65,0.998,0.8040401617435405,0.8287129052155439,0.7709375642519362,0.7088016585566445,0.7781230724419163
EOS-3-38906,CCn1c(-c2ccnc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4nc(C)no4)cn3)n12,NNXRNMQTSWXKRF-UHFFFAOYSA-N,3,1,0.27,99,754,469.444,3.024,6,0.346,0.67,0.993,0.19575423206085943,0.24352340483859913,0.03337673908573778,0.04788910972517305,0.13013587142759234
EOS-3-38907,Cc1cccc(-c2nnc3cncc(OCc4ncc(-c5cnc(F)cn5)cn4)n23)c1,NZMYZQHYJNECOF-UHFFFAOYSA-N,3,1,0.461,51,969,414.404,3.065,5,0.432,0.66,1.0,0.6263707079706669,0.6263792748954835,0.3778185182646837,0.33088033719416077,0.49036220958124865
EOS-3-38908,Fc1ccc(F)c(-c2ncccc2-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,NUGSBYFYVVNQMI-UHFFFAOYSA-N,3,1,0.523,73,877,451.824,4.154,5,0.396,0.63,0.982,0.6435216914536358,0.8014186827496402,0.7754609005551367,0.8224504831745597,0.7607129394832431
EOS-3-38909,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5F)nc4)n23)cn1,RYCTUHGORCEHGP-UHFFFAOYSA-N,3,1,0.553,97,430,413.416,3.67,5,0.406,0.79,1.0,0.7983774244397231,0.7140531834692618,0.6233208827359331,0.5280738126242204,0.6659563258172847
EOS-3-38911,Cc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3ccc(Cl)c(F)c3)n12,LAGMLMIWXSYRNN-UHFFFAOYSA-N,3,1,0.654,91,781,462.916,4.914,5,0.358,0.76,1.0,0.8812281543417175,0.7762833253375369,0.8719844424645329,0.8424628195462956,0.8429896854225207
EOS-3-38912,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nncn5C)ccn4)n23)c(F)n1,OWSJKUBZRVOUFR-UHFFFAOYSA-N,3,1,0.517,36,677,417.408,2.403,5,0.401,0.67,1.0,0.45553766020149405,0.47280858063189635,0.19887259269412652,0.1582910698375711,0.321377475841272
EOS-3-38913,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)c1,MOCDJCWWOAIOGN-UHFFFAOYSA-N,3,1,0.366,53,643,435.398,2.717,5,0.375,0.58,0.661,0.4508258515523268,0.3046569803303406,0.4323212939483243,0.39186827496401894,0.3949181001987527
EOS-3-38914,Fc1cccnc1CCOc1cncc2nnc(-c3csc(-c4cnncn4)c3)n12,YDSMDOWUVQBIKB-UHFFFAOYSA-N,3,1,0.469,65,779,420.433,2.86,5,0.413,0.65,1.0,0.5583150572270578,0.49562230141868274,0.24860359125488316,0.26960112398053593,0.39303551847028995
EOS-3-38915,Fc1cc(-c2cccnc2)cnc1Cc1cncc2nnc(-c3cccc(Cl)c3)n12,VPVFDPBYHATZFW-UHFFFAOYSA-N,3,1,0.458,14,358,416.847,4.632,5,0.427,0.72,1.0,0.3530001370707971,0.4684051812761291,0.8263741347405935,0.888047426495785,0.6339567198958262
EOS-3-38916,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)nc5)n34)c2)cn1,QJAPXXUYPCGYCX-UHFFFAOYSA-N,3,1,0.533,28,414,473.5,3.988,6,0.354,0.68,1.0,0.5144095675416352,0.3201031457747927,0.34738023439106297,0.2668597080392022,0.3621881639366733
EOS-3-38917,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)cc1-c1ncsn1,BPDBNRMVZXKUHG-UHFFFAOYSA-N,3,1,0.512,37,325,454.878,3.514,5,0.359,0.66,1.0,0.8276677403879104,0.8644284147762319,0.3327222260297444,0.39795079158385305,0.6056922931944348
EOS-3-38918,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(F)n4)n23)cnc1Cl,PZMHELGVCXGGHE-UHFFFAOYSA-N,3,1,0.422,46,223,442.773,3.142,5,0.378,0.6,0.999,0.7318895209375642,0.5983739976697965,0.5738725926941265,0.6013467205811802,0.6263707079706669
EOS-3-38919,CCOc1cccc(-c2cncc(Cc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)n1,UNJPBTKSEKNWGS-UHFFFAOYSA-N,3,1,0.364,14,81,456.937,5.2,5,0.349,0.84,1.0,0.4720546912480296,0.6509235144952368,0.7091957370982113,0.6600301555753547,0.6230510246042081
EOS-3-38920,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)cc2Cl)n[nH]1,UTSRJZGWALRDMA-UHFFFAOYSA-N,3,1,0.63,47,164,436.888,3.35,5,0.436,0.64,1.0,0.572339113151943,0.6703018984305393,0.38510040435885134,0.4038962374066205,0.5079094133369886
EOS-3-38921,Fc1ccc(-c2nc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccc2F)nc1,GTWOYLDUWLYTPY-UHFFFAOYSA-N,3,1,0.451,44,384,449.396,3.682,5,0.365,0.6,1.0,0.8733979850592831,0.8132324720718251,0.7198187238708793,0.7357275032554315,0.7855441710643547
EOS-3-38922,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ccn2)ccn1,VZDYHXTWDPCCAR-UHFFFAOYSA-N,3,1,0.511,75,265,449.396,3.682,5,0.365,0.6,1.0,0.8713162223288329,0.8390446165444452,0.8516808306490302,0.8325594544582277,0.8486502809951341
EOS-3-38923,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(F)c1F,JLNOYPWAOMDXOC-UHFFFAOYSA-N,3,1,0.274,39,144,471.406,3.913,6,0.36,0.66,0.995,0.027842505654170378,0.12349222123226647,0.6556181892947708,0.7382547460763484,0.38630191556438903
EOS-3-38924,Cn1nnc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6cscn6)c(F)c5)n34)cn2)n1,GADVCHFZZZVQBE-UHFFFAOYSA-N,3,1,0.318,98,219,474.46,3.446,6,0.382,0.61,1.0,0.22617538208484683,0.2946850798437393,0.36250085669248167,0.4389006922075252,0.33056550270714824
EOS-3-38925,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)ccn1,VYIGMEKCZCVVBK-UHFFFAOYSA-N,3,1,0.5,75,183,421.873,3.937,5,0.397,0.69,1.0,0.6066924816667809,0.6407802755123021,0.5370433829072716,0.5448050167911727,0.5823302892193818
EOS-3-38926,Clc1cncc(CCOc2cncc3nnc(-c4cc(-c5cc[nH]n5)ncc4Cl)n23)c1,HGSMZFMUAQNMBF-UHFFFAOYSA-N,3,1,0.473,65,619,453.293,3.9,5,0.416,0.56,0.951,0.8066359399629909,0.8170961551641422,0.560216914536358,0.6542560482489206,0.709551264478103
EOS-3-38927,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)cnn4)n23)nn1,ZODNZUIMBARWHJ-UHFFFAOYSA-N,3,1,0.394,53,587,416.38,1.855,5,0.418,0.61,0.533,0.46221129463367827,0.4774004523336303,0.13510040435885134,0.12308100884106642,0.29944829004180656
EOS-3-38928,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)nc4)n23)c(F)c1,AZBFVZJUEYQLAK-UHFFFAOYSA-N,3,1,0.329,98,314,455.482,3.911,6,0.397,0.59,1.0,0.20139126859022685,0.3584401343293811,0.33974710437941197,0.3663474059351655,0.31648147830854634
EOS-3-38929,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncn(C)n5)cnc4Cl)n23)nc1,HNAJYSZBFRDBIU-UHFFFAOYSA-N,3,1,0.369,33,760,476.888,1.969,5,0.364,0.65,0.978,0.39196251113700226,0.3961089027482695,0.11516517031046536,0.07423240353642656,0.24436724693304093
EOS-3-38930,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)nn1C,HNCABJHFAWGEAR-UHFFFAOYSA-N,3,1,0.374,31,694,437.414,2.66,5,0.377,0.6,0.999,0.27699438009732025,0.19852134877664313,0.2922777739702556,0.25475464327325065,0.2556370365293674
EOS-3-38931,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)cn5)cn4)n23)cn1,HLKLMEQYEHLKBG-UHFFFAOYSA-N,3,1,0.512,7,205,414.404,3.065,5,0.432,0.68,1.0,0.6263792748954835,0.680085326571174,0.4610633267082448,0.36635597285998217,0.5334709752587211
EOS-3-38932,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ncccc5F)ccn4)n23)cn1,FYCSQVASEVSZRV-UHFFFAOYSA-N,3,1,0.438,7,181,414.404,3.065,5,0.432,0.68,1.0,0.504566170927284,0.43782982660544173,0.3361489959564115,0.30602768830100746,0.3961431704475361
EOS-3-38933,Cc1ccnc(COc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)n1,GIZJCZCSBIZOLL-UHFFFAOYSA-N,3,1,0.466,51,540,414.404,3.065,5,0.432,0.68,1.0,0.8040487286683572,0.7591409087793846,0.3961517373723528,0.35629840312521416,0.5789099444863272
EOS-3-38934,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)n4)n23)cc1F,WJVPIILBJMNMRJ-UHFFFAOYSA-N,3,1,0.466,44,348,447.43,4.039,5,0.375,0.68,0.999,0.7583184839969844,0.704792337742444,0.7949592214378727,0.7715201151394695,0.7573975395791925
EOS-3-38935,COC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cn1,DQQFWFAXXZCEAB-UHFFFAOYSA-N,3,1,0.494,68,127,413.344,2.28,4,0.439,0.66,1.0,0.5170310465355356,0.46413885271742855,0.35127818518264686,0.1767870605167569,0.37730878623809194
EOS-3-38936,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)n1,UBLGRWWVDBRTMN-UHFFFAOYSA-N,3,1,0.5,65,349,429.419,2.502,5,0.375,0.59,1.0,0.707396682886711,0.6263878418203002,0.2555342334315674,0.2312127338770475,0.45513287300390654
EOS-3-38937,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cnccn5)n34)ccc2F)cs1,GLVXCSQYOAFTCA-UHFFFAOYSA-N,3,1,0.512,4,815,419.445,3.731,5,0.429,0.67,1.0,0.6233637173600165,0.6898773216366253,0.4468936330614762,0.40103488451785346,0.5402923891439928
EOS-3-38938,Cn1nnnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)c1,UITLEIJSKYCIEW-UHFFFAOYSA-N,3,1,0.442,36,52,472.366,2.509,5,0.355,0.63,0.953,0.5667791789459256,0.6263964087451168,0.72490747721198,0.6197313412377493,0.6344536015351929
EOS-3-38939,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)ncn2)n1,FMHKGKTYSJPCJT-UHFFFAOYSA-N,3,1,0.408,18,296,445.874,3.017,5,0.388,0.52,0.933,0.6290435885134672,0.5409499006236721,0.24483414433554931,0.2756065382770201,0.42260854293742717
EOS-3-38940,Cn1c(CO)nnc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,LADPWRUPCFGWRU-UHFFFAOYSA-N,3,1,0.483,63,536,420.433,0.883,5,0.45,0.62,1.0,0.3600335823452813,0.11667294907819889,0.005585634980467411,0.005217257213350696,0.12187735590432458
EOS-3-38941,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)nc(F)c4)n23)cc1F,GDHYXROFANEGTN-UHFFFAOYSA-N,3,1,0.543,16,353,437.385,3.583,5,0.391,0.57,1.0,0.9070659995887876,0.8209598382564595,0.8386676718525118,0.794873552189706,0.8403917654718662
EOS-3-38942,CCn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)=O)cc4)n23)cc1,MUFODMCXTPDTOM-UHFFFAOYSA-N,3,1,0.351,61,269,410.441,3.334,5,0.409,0.86,1.0,0.134980467411418,0.07840449592214378,0.13510897128366803,0.12308957576588307,0.11789587759577821
EOS-3-38943,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccccn4)cc3F)n12,KZXSPPRNDZASAL-UHFFFAOYSA-N,3,1,0.453,57,145,435.821,5.577,5,0.369,0.86,1.0,0.860093550818998,0.9235059283119731,0.9599324926324446,0.9695188815022959,0.9282627133164278
EOS-3-38945,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cc(C#N)n[nH]6)c5)n34)cc2)n1,QHJIHNVWDQAVFN-UHFFFAOYSA-N,3,1,0.28,98,725,447.422,2.868,6,0.425,0.54,0.999,0.30134158042629017,0.294693646768556,0.2777568364060037,0.2577702008087177,0.2828905661023919
EOS-3-38946,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)ncn2)nn1,MDWUNXZPTCBMMJ-UHFFFAOYSA-N,3,1,0.429,44,481,464.411,3.386,5,0.352,0.64,0.586,0.737672195188815,0.6312538551161675,0.6912223288328422,0.6516003015557535,0.6779371701733945
EOS-3-38947,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)cn2)n1,HEJXFFRVQUCWMB-UHFFFAOYSA-N,3,1,0.34,42,150,439.479,4.907,6,0.365,0.72,1.0,0.029992803783154,0.1985299157014598,0.6937581385785758,0.7274175861832637,0.4124246110616133
EOS-3-38948,Cc1nccc(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n2)n1,ZKJIGOMVSRBPNL-UHFFFAOYSA-N,3,1,0.367,51,924,420.824,2.098,5,0.42,0.59,0.999,0.23434822835994792,0.28423343156740455,0.05148721814817353,0.07234768007675965,0.16060413953807143
EOS-3-38949,COc1cc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1nc(C)no1,JPYSRBFNFDIEEU-UHFFFAOYSA-N,3,1,0.6,4,248,420.454,3.799,5,0.409,0.71,1.0,0.3984990747721198,0.3337759577821945,0.23774929751216503,0.13823589884175178,0.27706505722705776
EOS-3-38950,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)nc2)cn1C,ZJNHSINVXWPXQG-UHFFFAOYSA-N,3,1,0.384,31,602,465.88,3.099,5,0.376,0.61,0.998,0.5533291069837571,0.5504848879446234,0.21993866081831265,0.22505311493386335,0.3872014426701391
EOS-3-38951,Fc1ccc(F)c(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5ccccn5)n4)n23)c1,GJTRBPGPXWHINU-UHFFFAOYSA-N,3,1,0.323,64,176,464.439,4.651,6,0.375,0.67,0.992,0.23435679528476458,0.35335138098828045,0.6024004523336303,0.6863905832362415,0.4691248029607292
EOS-3-38952,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)c1,NCLGCNGOBAVCJJ-UHFFFAOYSA-N,3,1,0.495,35,76,447.861,4.057,5,0.362,0.63,1.0,0.8624751559180317,0.8615584949626482,0.6639366732917552,0.7116972791446782,0.7749169008292783
EOS-3-38953,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)nc1F,VVJXEKQHPKLIFX-UHFFFAOYSA-N,3,1,0.553,1,666,422.42,4.167,5,0.396,0.73,1.0,0.6290521554382839,0.6176153108080323,0.7043725584264272,0.6745510931396066,0.6563977794530875
EOS-3-38954,Cc1ncccc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,VIAQQFMMMHVDIH-UHFFFAOYSA-N,3,1,0.551,87,307,443.898,4.227,5,0.388,0.61,1.0,0.7376807621136316,0.7848331163045713,0.5403673497361388,0.5315605510246042,0.6486104447947365
EOS-3-38955,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)nc1,HCQIPOCBKAUHRD-UHFFFAOYSA-N,3,1,0.452,18,265,465.851,4.196,5,0.371,0.64,0.999,0.8867109862243849,0.8672297991912823,0.7801812761291207,0.814551778493592,0.837168460009595
EOS-3-38956,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1-c1ncccc1F,JOFXKHKIWCCVOZ-UHFFFAOYSA-N,3,1,0.517,37,490,465.851,4.196,5,0.371,0.64,1.0,0.9407597148927421,0.9435096977588925,0.7377749982866151,0.7810722363100542,0.8507791618120759
EOS-3-38957,C#Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cc1Cl,RHCWCYWUSRDDGG-UHFFFAOYSA-N,3,1,0.556,35,655,452.905,4.505,5,0.353,0.67,1.0,0.8689603180042492,0.8702196559522993,0.782468645055171,0.7691642108148858,0.8227032074566514
EOS-3-38958,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cccnc1,HQNTURLSFFNFOA-UHFFFAOYSA-N,3,1,0.547,1,83,444.882,4.489,5,0.356,0.69,1.0,0.710360838873278,0.6998063874991433,0.732797614968131,0.6716726064012062,0.7036593619354395
EOS-3-38959,Cc1nccc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2F)n1,IJKLRKMJZPYUCC-UHFFFAOYSA-N,3,1,0.5,27,430,463.423,4.607,5,0.363,0.72,1.0,0.917217805496539,0.9059351655129875,0.8940956754163526,0.8166678089233089,0.883479113837297
EOS-3-38960,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c(Cl)c2)n1,HBKKOECKAPXVCJ-UHFFFAOYSA-N,3,1,0.518,13,451,452.852,5.224,5,0.373,0.8,1.0,0.7675279281749023,0.8321996436159276,0.9044702213693373,0.9014032622849701,0.8514002638612843
EOS-3-38961,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)cnn2)nc1,NBDKRYIPKNTMCM-UHFFFAOYSA-N,3,1,0.484,65,65,449.837,2.847,5,0.385,0.54,1.0,0.8093345212802412,0.809265985881708,0.3473888013158796,0.4296569803303406,0.5989115722020424
EOS-3-38962,Cc1cncc(-c2ccnc(-c3nnc4cncc(CCc5ccc(Cl)c(F)c5)n34)c2)c1,HOEULEPAYOBMRV-UHFFFAOYSA-N,3,1,0.4,14,580,444.901,5.134,5,0.375,0.78,0.996,0.42294051127407306,0.4332807895277911,0.8401668836954287,0.8648224933177986,0.6403026694537728
EOS-3-38963,FC(F)n1nccc1-c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)cn1,MLLDBYFGIZUUFF-UHFFFAOYSA-N,3,1,0.326,85,976,439.817,3.479,5,0.386,0.6,0.998,0.2556113357549174,0.382221917620451,0.5895329312589953,0.5642091015009252,0.44789382153382223
EOS-3-38964,Cc1cc(-c2cncc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)ncn1,QGJMKARDSLLBDG-UHFFFAOYSA-N,3,1,0.384,14,767,413.416,3.67,5,0.434,0.73,1.0,0.43420601740799125,0.5090466726064012,0.6412857240764855,0.595521211705846,0.545014906449181
EOS-3-38965,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)nn2)n1,PEEBXMFCOAZICW-UHFFFAOYSA-N,3,1,0.316,99,502,466.469,2.273,6,0.372,0.61,0.825,0.2611712699609348,0.1486532794188198,0.027465560962236995,0.014015489000068536,0.11282639983551505
EOS-3-38966,Cc1cc(OCc2cncc3nnc(-c4cccc(-c5nccc(C)n5)c4)n23)ncn1,PVLUPAZMHOJGES-UHFFFAOYSA-N,3,1,0.356,14,351,410.441,3.234,5,0.435,0.8,1.0,0.3415804262901789,0.19390377630045919,0.23072441916249742,0.13824446576656843,0.226113271879926
EOS-3-38967,Cc1nc(-c2cnc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c(F)c2)no1,ZZMNFOZVRSWFAK-UHFFFAOYSA-N,3,1,0.386,20,279,453.825,2.749,5,0.378,0.62,1.0,0.5480861489959564,0.5456531423480228,0.0897899390034953,0.13582002604345145,0.3298373140977315
EOS-3-38968,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(F)c(F)c5)cc4F)n23)cc1,OCPKSEJWSRUHRY-UHFFFAOYSA-N,3,1,0.418,83,504,475.43,5.028,5,0.386,0.79,1.0,0.637636214104585,0.7185936536220958,0.9510228908231101,0.9287574532245905,0.8090025529435954
EOS-3-38969,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cn3)n12,WEJUQLWHRJYCBL-UHFFFAOYSA-N,3,1,0.456,18,265,453.89,4.119,5,0.382,0.63,0.99,0.7346994722774313,0.7372010143238983,0.5959495579466795,0.6311767527928175,0.6747566993352067
EOS-3-38970,N=c1nc(F)c(-c2nnc3cncc(Oc4ncc(-c5cccs5)cc4F)n23)c[nH]1,FLMYETHNTFLSTL-UHFFFAOYSA-N,3,1,0.337,55,412,424.396,3.188,5,0.428,0.72,1.0,0.5045747378521006,0.4332893564526078,0.45412411760674387,0.42017339455828934,0.4530404016174354
EOS-3-38971,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)nc1,XUAYCZVUXGZFBO-UHFFFAOYSA-N,3,1,0.477,63,683,404.405,2.797,5,0.531,0.95,1.0,0.44833287643067643,0.23295181961483105,0.25227880200123365,0.3308889041189775,0.31611310054142966
EOS-3-38972,Fc1cncc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)c1,HBOJDGMCDITGGD-UHFFFAOYSA-N,3,1,0.54,35,429,464.863,4.801,5,0.359,0.74,1.0,0.9213556301829895,0.9333921595504078,0.919822150640806,0.9368617641011583,0.9278579261188403
EOS-3-38973,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cncc(Cl)c5)ccn4)n23)cc1F,GGOVYNOIBMNLLY-UHFFFAOYSA-N,3,1,0.576,84,360,464.863,4.801,5,0.359,0.74,1.0,0.9004951682544033,0.8493077924748133,0.9188797889109726,0.9309163182783908,0.8998997669796449
EOS-3-38975,Cn1nccc1-c1cccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,JGGSBGNQBDYFNO-UHFFFAOYSA-N,3,1,0.705,91,660,414.444,3.952,5,0.421,0.75,1.0,0.6233722842848332,0.6079603865396477,0.7170259063806456,0.6835377972722911,0.6579740936193544
EOS-3-38976,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)ccn1,QRPJTIFCFAGBGO-UHFFFAOYSA-N,3,1,0.465,18,840,413.416,3.404,5,0.394,0.77,1.0,0.6980673017613598,0.5642519361250086,0.583193406894661,0.564217668425742,0.6024325783016928
EOS-3-38977,COc1nc(-c2nnc3cncc(OCCc4nn(C)cc4Cl)n23)ccc1-c1ncco1,KGMLPMAICKSRPN-UHFFFAOYSA-N,3,1,0.427,49,501,452.862,2.858,5,0.367,0.61,0.998,0.3919710780618189,0.30466554725515727,0.06709615516414227,0.058983277362757866,0.2056790144609691
EOS-3-38978,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cc(Cl)n2)cn1,PZASOXAGLMBGHI-UHFFFAOYSA-N,3,1,0.398,46,915,465.304,4.233,5,0.355,0.66,1.0,0.7163833870193955,0.7231855253238297,0.5268830100747036,0.5738982934685766,0.6350875539716263
EOS-3-38979,Fc1cccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5F)n34)nn2)c1,XMMSQLPAFVTZHU-UHFFFAOYSA-N,3,1,0.269,39,144,471.406,3.913,6,0.384,0.61,0.85,0.024338633404153244,0.1486618463436365,0.6665410184360222,0.7762319237886368,0.4039433554931122
EOS-3-38980,c1cc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)nc(-c2ccsc2)n1,PQDUPJDEXUTOCY-UHFFFAOYSA-N,3,1,0.307,38,983,423.461,4.632,6,0.408,0.68,1.0,0.2261839490096635,0.1681087656774724,0.41367966554725516,0.4232746213419231,0.30781175039407854
EOS-3-38981,COc1cccnc1-c1cc(C)ncc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cc3)n12,LAEOKOIJOCEBMA-UHFFFAOYSA-N,3,1,0.297,42,339,473.5,4.084,6,0.365,0.68,1.0,0.27433863340415326,0.10768624494551436,0.43232986087314096,0.3500959495579467,0.2911126721951888
EOS-3-38982,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,UTIJQLUNVBWFQD-UHFFFAOYSA-N,3,1,0.55,24,912,438.875,4.681,5,0.396,0.71,1.0,0.8014186827496402,0.7720512644781029,0.7568107052292509,0.790281680487972,0.7801405832362415
EOS-3-38983,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2C)c(C)n1,FFDWGFHSNYRJDA-UHFFFAOYSA-N,3,1,0.433,31,569,461.917,3.269,5,0.379,0.63,0.999,0.37623363717360014,0.3337845247070112,0.15036666438215338,0.14543211568775272,0.25145423548762935
EOS-3-38984,Fc1ncc(CCc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cc1Cl,LMRMWMQUHWXTGX-UHFFFAOYSA-N,3,1,0.514,68,455,422.773,4.178,4,0.364,0.77,1.0,0.5806061956000275,0.7762918922623535,0.977486121581797,0.9614488383249948,0.8239582619422932
EOS-3-38985,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)nc1,UPZCNMMGOIIKTO-UHFFFAOYSA-N,3,1,0.519,24,980,468.279,4.668,5,0.37,0.73,1.0,0.8887327804811185,0.8425741895689124,0.8449386608183127,0.8854516482763347,0.8654243197861695
EOS-3-38986,COc1c(-c2nnc3cncc(OCCc4cnccn4)n23)ccc(-c2ncccn2)c1C,ONYVWGAPVUTPGJ-UHFFFAOYSA-N,3,1,0.478,65,116,440.467,2.977,5,0.377,0.54,1.0,0.4436039339318758,0.13383249948598452,0.14425844698786924,0.07981803851689398,0.2003782297306559
EOS-3-38987,c1cncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)cn4)n23)c1,VLBWXCQRMRRLFU-UHFFFAOYSA-N,3,1,0.235,86,449,418.424,3.095,6,0.463,0.58,0.789,0.15955897471043795,0.11083030635323145,0.24141594133369887,0.2844733054622713,0.1990696319649099
EOS-3-38988,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1Cl,BUQHJMWVQHBLRY-UHFFFAOYSA-N,3,1,0.495,37,639,467.32,3.91,5,0.35,0.66,1.0,0.695197381947776,0.8171047220889589,0.42503940785415667,0.528082379549037,0.6163559728599821
EOS-3-38989,c1ccc(-c2nccnc2-c2nnc3cncc(-c4cncc(-c5cnco5)c4)n23)nc1,QQGZEPLETLDZSU-UHFFFAOYSA-N,3,1,0.308,86,114,419.408,3.36,6,0.423,0.62,0.949,0.08829072716057844,0.028999040504420533,0.21299945171681173,0.2547632101980673,0.1462631073949695
EOS-3-38990,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ncc4Cl)n23)nc1,LTFPNSOIVLHYAM-UHFFFAOYSA-N,3,1,0.376,33,760,477.876,1.364,5,0.379,0.64,1.0,0.41594133369885544,0.38223048454526765,0.047863408950723045,0.04152388458638887,0.22188977794530876
EOS-3-38991,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ncccn5)cn4)n23)cn1,DIRCJWIOFOQFHA-UHFFFAOYSA-N,3,1,0.53,4,205,414.404,3.065,5,0.432,0.69,1.0,0.691976218216709,0.7324463710506477,0.3887242135563018,0.32765060653827704,0.5351993523404839
EOS-3-38992,Clc1nc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1cnccn1,CANVQRZQZOUIQQ-UHFFFAOYSA-N,3,1,0.413,18,324,431.847,2.708,5,0.374,0.57,1.0,0.5836388869851278,0.6605784387636214,0.12930059625796725,0.17154410252895622,0.38626550613391814
EOS-3-38993,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)cn5)n34)cn2)nc1,XUNLDVZAHUPEJC-UHFFFAOYSA-N,3,1,0.324,32,191,434.488,4.434,6,0.405,0.65,1.0,0.11867760948529915,0.119996915907066,0.4284661777808238,0.4453601535192927,0.2781252141731204
EOS-3-38995,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccccc4F)n23)nc1,QOKJAUNZDUGJFD-UHFFFAOYSA-N,3,1,0.333,64,365,460.476,4.82,6,0.372,0.71,0.88,0.2852357617709547,0.3439705983140292,0.4990576382701665,0.5511274073058735,0.41984785141525605
EOS-3-38996,CCn1c(-c2ccccc2C)nnc1-c1cncc2nnc(-c3cc(-c4nnco4)ccc3F)n12,HBYYGNYWYXYRGU-UHFFFAOYSA-N,3,1,0.354,8,474,467.468,4.234,6,0.37,0.67,1.0,0.17589610033582345,0.3822390514700843,0.16602700294702213,0.24564800219313276,0.24245253923651566
EOS-3-38997,Cc1ncnn1-c1ccnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1F,PMINJQPVNPSPPC-UHFFFAOYSA-N,3,1,0.434,89,398,485.483,2.686,6,0.373,0.79,0.999,0.3194606264135426,0.15257693098485367,0.08728839695702831,0.09441607840449592,0.16343550818998012
EOS-3-38998,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)cn1,CGYGIBBKYJVBNG-UHFFFAOYSA-N,3,1,0.5,65,981,450.865,3.396,5,0.366,0.59,1.0,0.7406192173257488,0.7277088616270304,0.5738811596189431,0.5545284764580906,0.6491844287574532
EOS-3-38999,CCn1cncc1-c1cc(F)nc(-c2nnc3cncc(OCCc4cn(C)nc4C)n23)c1,SDEQBDPTCLWMCC-UHFFFAOYSA-N,3,1,0.381,31,460,447.478,2.872,5,0.354,0.61,0.999,0.23436536220958123,0.1681173326022891,0.13511753820848468,0.09442464532931259,0.1580062195874169
EOS-3-39000,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)n1,KCOYDUSSYASQFY-UHFFFAOYSA-N,3,1,0.284,64,174,436.41,4.104,6,0.38,0.62,0.961,0.33683434994174494,0.34866527311356316,0.4504831745596601,0.5078901377561511,0.4109682338427798
EOS-3-39001,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)cc5)n34)n2)n1,OYUGXPLURLQIPD-UHFFFAOYSA-N,3,1,0.395,93,74,464.92,4.969,6,0.366,0.75,1.0,0.16246316222328833,0.34397916523884586,0.6113100541429648,0.6976046878212597,0.45383926735658964
EOS-3-39002,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)s2)c1,RGKIADRRDBFSTC-UHFFFAOYSA-N,3,1,0.28,76,368,428.506,4.428,6,0.446,0.67,0.997,0.07508052909327667,0.20779932835309436,0.21994722774312933,0.2638355835789185,0.1916656671921047
EOS-3-39003,Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc(-c2nccn2C)n1,NMOZKHAGLZODLC-UHFFFAOYSA-N,3,1,0.495,65,578,446.902,3.565,5,0.368,0.61,1.0,0.5778819135083271,0.5180762113631691,0.3103025837845247,0.29047015283393873,0.42418271537248997
EOS-3-39004,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccnnc4-c4ccc(F)cc4)n23)c(F)c1,MYCHUOKXNYEXDD-UHFFFAOYSA-N,3,1,0.341,3,192,466.455,4.594,6,0.378,0.68,1.0,0.2798557329860873,0.4152902474127887,0.7686673291755192,0.7971095195668563,0.5652307072853129
EOS-3-39005,Cc1nc(COc2cncc3nnc(-c4cc(-c5cnn(C)c5)ncn4)n23)ccc1F,NWLXRYVMFWEAKH-UHFFFAOYSA-N,3,1,0.415,31,395,417.408,2.403,5,0.429,0.67,0.829,0.3013501473511068,0.2636214104585018,0.28149201562607085,0.20188815022959358,0.26208793091631827
EOS-3-39006,COc1cc(-c2nnc3cncc(Oc4ccccc4F)n23)ccc1-c1ccnc(F)c1,DHQDQISLOLHTND-UHFFFAOYSA-N,3,1,0.477,57,209,431.402,4.932,5,0.367,0.75,1.0,0.8624837228428484,0.8390531834692618,0.9313275306695908,0.8964430128161195,0.8823268624494551
EOS-3-39007,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4F)n23)ccc1-c1ccccn1,FTSDNJBHEGUZEV-UHFFFAOYSA-N,3,1,0.516,11,777,460.444,4.157,5,0.337,0.68,1.0,0.9292200671646905,0.8644369817010485,0.7615567815776849,0.6600387225001714,0.8038131382358988
EOS-3-39008,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1csnn1,RHARAQSJEDYKMC-UHFFFAOYSA-N,3,1,0.5,13,209,454.874,4.903,5,0.373,0.76,1.0,0.5639520937564252,0.689885888561442,0.8174216983071757,0.7971180864916729,0.7170944417791789
EOS-3-39009,CC(OC(F)F)c1ccc(-c2nnc3cncc(-c4cnnc(-c5cncs5)n4)n23)cn1,CEDPTONSEUHCDV-UHFFFAOYSA-N,3,1,0.366,50,974,453.438,3.462,5,0.381,0.61,0.233,0.2852443286957714,0.42429408539510655,0.5671989582619423,0.4885802892193818,0.44132941539305054
EOS-3-39010,Cc1cc(-c2ncnnc2-c2nnc3cncc(Cc4cnc(Cl)cn4)n23)cc(Cl)n1,PICVXSGRTCORBW-UHFFFAOYSA-N,3,1,0.273,85,674,451.281,3.034,5,0.38,0.56,0.807,0.21784833116304572,0.1851483791378247,0.15644061407717086,0.28724042217805495,0.21166943663902404
EOS-3-39011,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)s1,ZBIGLSCPNLTKAB-UHFFFAOYSA-N,3,1,0.454,87,838,434.46,3.169,5,0.376,0.61,1.0,0.5144181344664519,0.5135700089096018,0.1442670139126859,0.1503323966828867,0.3306468884929066
EOS-3-39012,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)c(OC)n5)nc4)n23)cn1,VYEUYYVINCHXGC-UHFFFAOYSA-N,3,1,0.306,50,974,416.42,3.279,5,0.434,0.71,1.0,0.27185422520731956,0.38224761839490096,0.30670447536152423,0.22237166746624631,0.2957944966074978
EOS-3-39013,Clc1cnc(COc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)nc1,BYMRAPBOVSAIFG-UHFFFAOYSA-N,3,1,0.419,51,970,417.82,2.666,5,0.425,0.61,1.0,0.5455760400246727,0.5842642724967446,0.2522873689260503,0.28448187238708794,0.4166523884586389
EOS-3-39014,Cn1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)n1,WQZNAJJXWMKGMH-UHFFFAOYSA-N,3,1,0.561,4,10,452.305,4.473,5,0.391,0.66,1.0,0.4995288191350833,0.7463247892536495,0.7377835652114317,0.7715286820642862,0.6887914639161127
EOS-3-39015,Cn1cc(-c2cc(Cl)nc(-c3cncc4nnc(-c5cc(F)ccc5Cl)n34)c2)cn1,VUMDNFLUMBBGJS-UHFFFAOYSA-N,3,1,0.342,45,844,440.269,4.7,5,0.381,0.67,1.0,0.132427523816051,0.3486738400383798,0.8904632992940854,0.9287660201494071,0.5750826708244808
EOS-3-39016,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)nn5)cnn4)n23)cn1,NIGJKQDVXOQZFI-UHFFFAOYSA-N,3,1,0.433,92,875,453.253,2.714,5,0.366,0.56,1.0,0.5069820437255843,0.7763004591871702,0.2163405523953122,0.3276591734630937,0.45682055719279
EOS-3-39017,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cnn2)n1,HTRWUESGTKKKAY-UHFFFAOYSA-N,3,1,0.415,55,564,433.382,2.599,5,0.412,0.52,1.0,0.7010400246727435,0.5456617092728394,0.4889486669864985,0.4580820368720444,0.5484331094510315
EOS-3-39018,CC(C)n1nncc1-c1cnc(-c2cncc3nnc(-c4cnccc4-c4ccccc4)n23)nn1,ZJVUTSIJJHVBGV-UHFFFAOYSA-N,3,1,0.28,8,342,461.493,3.545,6,0.379,0.62,0.709,0.03134637790418751,0.029007607429237203,0.08225104516482763,0.10042149270098005,0.0607566307998081
EOS-3-39019,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cc2F)n1,OFUSJDLBLGUUAZ-UHFFFAOYSA-N,3,1,0.542,34,607,452.852,4.702,5,0.386,0.66,1.0,0.829818038516894,0.8757881570831334,0.9369731341237749,0.936870331025975,0.8948624151874442
EOS-3-39020,C#Cc1cnc(COc2cncc3nnc(-c4cc(C)nc(-c5cc(F)cnc5C)c4)n23)cn1,WADHGVYQFRYGNQ-UHFFFAOYSA-N,3,1,0.467,7,661,452.453,3.355,5,0.374,0.61,1.0,0.5981084230004797,0.5600198752655746,0.4610718936330615,0.3468576519772463,0.49151446096909057
EOS-3-39021,Cc1cnc(-c2cc(F)c(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,GRQMHTNMBZMUSR-UHFFFAOYSA-N,3,1,0.598,59,929,464.863,5.067,5,0.361,0.77,1.0,0.9739051470084299,0.9806130491398808,0.9351226783633747,0.9297683503529574,0.9548523062161607
EOS-3-39022,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)c1,PKAUEEGUKCJZHH-UHFFFAOYSA-N,3,1,0.722,11,73,442.91,4.832,5,0.374,0.68,1.0,0.767536495099719,0.7763090261119868,0.7328061818929477,0.7408933589198822,0.754386265506134
EOS-3-39023,FC(F)Oc1ccc2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2n1,IKFHNCRZOATDMO-UHFFFAOYSA-N,3,1,0.398,27,121,440.36,4.941,5,0.36,0.75,0.999,0.7437718456582825,0.8355578781440615,0.9743848947981633,0.9590929340004112,0.8782018881502296
EOS-3-39024,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)c1F,GTJOCMIXMRORRD-UHFFFAOYSA-N,3,1,0.413,46,119,418.367,2.896,5,0.429,0.6,1.0,0.5865345075731615,0.5548111849770406,0.6442413131382358,0.6281012267836338,0.603422058118018
EOS-3-39025,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c2)nc1,KGDDXBASPGFYAX-UHFFFAOYSA-N,3,1,0.529,57,709,449.848,5.364,5,0.361,0.8,1.0,0.9337005688438078,0.9235144952367899,0.9619628538139949,0.9695274484271126,0.9471763415804263
EOS-3-39026,COc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cnc(Cl)cn3)n12,CCCBNZHCPNXKSV-UHFFFAOYSA-N,3,1,0.461,68,127,419.779,3.155,4,0.47,0.57,0.99,0.6524484271126036,0.6898944554862586,0.5992049893770133,0.47052977863066275,0.6030194126516346
EOS-3-39027,COc1ncc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1cccc(Cl)c1,APAGFZOEHWRASG-UHFFFAOYSA-N,3,1,0.549,11,275,458.909,4.532,5,0.354,0.72,1.0,0.7556627373038174,0.784841683229388,0.5738897265437598,0.5511359742306902,0.6663825303269139
EOS-3-39028,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)ns1,VXFVIXMJDGGZMJ-UHFFFAOYSA-N,3,1,0.63,15,921,415.482,3.635,5,0.418,0.76,1.0,0.5095007196216846,0.42430265231992326,0.18549962305530807,0.1688283873620725,0.3220328455897471
EOS-3-39029,Cc1nc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cn1C,GRIBKKCLVQVOHD-UHFFFAOYSA-N,3,1,0.424,7,128,437.916,4.189,5,0.41,0.63,1.0,0.5019532588582003,0.5789956137344938,0.33615756288122817,0.32137105064765953,0.4346193715303954
EOS-3-39030,COc1cc(-c2nnc3cncc(OCc4ncccc4-c4ccccc4)n23)ccc1Cl,HFINIQGOWPNWDA-UHFFFAOYSA-N,3,1,0.571,1,347,443.894,5.094,5,0.363,0.8,1.0,0.8754540470152834,0.8836525940648345,0.8097885682955246,0.7833082036872044,0.8380508532657117
EOS-3-39031,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccccc5)cn4)n23)ccc1Cl,VWWPGISRFGSYRL-UHFFFAOYSA-N,3,1,0.585,1,347,443.894,5.094,5,0.363,0.8,1.0,0.8513295867315468,0.8890154890000685,0.8464978411349462,0.8145603454184086,0.8503508155712425
EOS-3-39032,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1-c1ccccc1,GEQXNCBCEVBJSO-UHFFFAOYSA-N,3,1,0.362,93,625,429.487,4.921,6,0.398,0.7,1.0,0.048223219793023096,0.05238674525392365,0.6500496881639367,0.6805650743609074,0.3578061818929477
EOS-3-39033,CCn1cncc1-c1cc(F)nc(-c2nnc3cncc(COCc4cccc(C#N)c4)n23)c1,XPJLVAHVMOENON-UHFFFAOYSA-N,3,1,0.36,26,1,454.469,3.797,5,0.344,0.67,0.204,0.32963813309574397,0.25830991707216777,0.6750137070797066,0.6252741415941334,0.47205897471043795
EOS-3-39034,Cc1cn(C)c(-c2cc(COc3cncc4nnc(-c5ccc(F)nc5)n34)c(F)cn2)n1,KNDVDSRHSZPJCN-UHFFFAOYSA-N,3,1,0.44,55,283,434.41,3.147,5,0.392,0.59,1.0,0.6347919950654513,0.5409584675484888,0.4819066547871976,0.42966554725515727,0.5218306661640737
EOS-3-39035,COc1ncc(C(F)F)cc1-c1cnnc(COc2cncc3nnc(-c4ccncc4)n23)c1,KNPUJBDXDQNIBZ-UHFFFAOYSA-N,3,1,0.453,27,534,462.42,3.564,5,0.358,0.63,1.0,0.5250239873894866,0.45072304845452676,0.7067969981495442,0.5478976766499897,0.5576104276608869
EOS-3-39036,Cn1c(F)cnc1-c1cccc(-c2nnc3cncc(OCCc4ccccn4)n23)c1,LKVKSKKSRMUDEP-UHFFFAOYSA-N,3,1,0.634,15,561,415.432,3.347,5,0.423,0.68,1.0,0.6919847851415256,0.5790041806593106,0.385108971283668,0.3563069700500308,0.5031012267836338
EOS-3-39037,Cn1nccc1-c1cccc(-c2nnc3cncc(OCCc4ncccc4F)n23)c1,CIFYJZZPWWMTLF-UHFFFAOYSA-N,3,1,0.517,15,628,415.432,3.347,5,0.423,0.68,1.0,0.5377116030429717,0.44196765129189225,0.46815674045644573,0.43890925913234186,0.4716863134809129
EOS-3-39038,c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-c6ncccn6)nc5)n34)cc2)nc1,IUUGYPHKCSCITN-UHFFFAOYSA-N,3,1,0.568,28,120,472.512,4.327,6,0.338,0.71,1.0,0.8867195531492016,0.7231940922486464,0.40702316496470425,0.3694829004180659,0.5966049276951546
EOS-3-39039,FC(F)c1cnc(COc2cncc3nnc(-c4csc(-c5cccnc5)c4)n23)cn1,DVWNWGUDJQNQRR-UHFFFAOYSA-N,3,1,0.477,7,535,437.435,4.221,5,0.393,0.64,1.0,0.43682749640189156,0.45967548488794463,0.6720238503186896,0.5894129943115619,0.5394849564800219
EOS-3-39040,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ncn2)n(C)n1,NSHNIEOBULDART-UHFFFAOYSA-N,3,1,0.467,31,395,433.863,2.918,5,0.416,0.55,0.813,0.25067678706051677,0.32912411760674387,0.19888115961894318,0.20785072990199438,0.24663319854704954
EOS-3-39041,Cc1ccnc(C(C)NC(=O)c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2)c1,XVXWUQXOQNKSDJ-UHFFFAOYSA-N,3,1,0.576,89,656,471.546,4.021,5,0.382,0.67,1.0,0.4342145843328079,0.20780789527791105,0.4032708518950038,0.19076828181755878,0.30901540333082045
EOS-3-39042,Cc1nccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cc2)n1,FLFKJOWRPZTBSD-UHFFFAOYSA-N,3,1,0.433,80,355,474.488,3.383,6,0.354,0.63,1.0,0.530198409978754,0.40127475841272015,0.3067130422863409,0.22506168185868,0.3658119731341237
EOS-3-39043,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCc3cnc(F)c(Cl)c3)n12,CKPLXDNTTAZKEP-UHFFFAOYSA-N,3,1,0.452,16,79,466.864,3.362,5,0.351,0.69,1.0,0.48942841477623195,0.48606161332328146,0.6348348296895346,0.5414724830374888,0.5379493352066342
EOS-3-39044,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cc1,FRMLRBAVOBGTFH-UHFFFAOYSA-N,3,1,0.476,18,846,409.453,3.573,5,0.423,0.86,1.0,0.5170396134603523,0.3628863683092317,0.3660389966417655,0.3436707559454458,0.3974089335891988
EOS-3-39045,CCn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)c(F)c5)n34)ncn2)cn1,DZYVYHJPJVHSEK-UHFFFAOYSA-N,3,1,0.302,42,566,463.48,4.333,6,0.375,0.65,1.0,0.17054177232540607,0.22808580631896375,0.5770252210266603,0.5642262353505586,0.3849697587553972
EOS-3-39046,O=C(O)c1ccc(-c2nnc3cncc(-c4ncccc4-c4ccc(F)nc4)n23)cc1,AGSIGXQLCJVCFH-UHFFFAOYSA-N,3,1,0.378,96,680,412.384,3.753,5,0.448,0.78,1.0,0.27186279213213627,0.11370022616681516,0.6585994791309712,0.5803063532314441,0.4061172126653417
EOS-3-39047,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)c(F)c5F)n4)n23)cc1,RTWXYPUUAOVFRC-UHFFFAOYSA-N,3,1,0.339,61,331,475.394,2.71,5,0.306,0.75,1.0,0.1678260571585224,0.3147745185388253,0.6965852237680762,0.6630371461860051,0.4605557364128573
EOS-3-39048,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)ncn2)c(F)c1,WYXSNCMSHJCZGZ-UHFFFAOYSA-N,3,1,0.426,44,488,460.379,3.511,5,0.366,0.61,0.702,0.8489222808580632,0.7633044342402852,0.8965629497635529,0.8825988623123844,0.8478471317935714
EOS-3-39049,COc1ccc(-c2cc(C#N)cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)c2)cn1,NKSOTXABOPWUHR-UHFFFAOYSA-N,3,1,0.435,89,677,452.478,3.355,5,0.385,0.59,1.0,0.28525289562058803,0.30972859982180795,0.5025872112946337,0.3340158316770612,0.3578961346035227
EOS-3-39050,Cc1csc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)cn2)n1,WRHLGQFHVCSRFR-UHFFFAOYSA-N,3,1,0.456,55,786,437.435,3.87,5,0.386,0.67,1.0,0.7583270509218011,0.7277174285518471,0.5403759166609554,0.48570180248098144,0.6280305496538962
EOS-3-39051,c1cc(COc2cncc3nnc(-c4cnc(N5CCOCC5)nc4)n23)nc(-c2nncs2)c1,LYZITXJQKNJKLJ-UHFFFAOYSA-N,3,1,0.408,92,986,474.51,1.91,6,0.358,0.72,1.0,0.15421321362483723,0.013655678157768487,0.000985196353916798,0.000985196353916798,0.042459821122609834
EOS-3-39052,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)[nH]4)n23)cc1F,VWDLNYKFNLALAS-UHFFFAOYSA-N,3,1,0.322,98,407,473.863,3.226,6,0.386,0.66,0.353,0.20692550202179424,0.39611746967308614,0.3434394489753958,0.44857275032554317,0.34876379274895486
EOS-3-39053,Fc1cncc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ncccn4)c(Cl)c3)n12,YQYCPTSWDCLKLN-UHFFFAOYSA-N,3,1,0.538,73,980,468.279,4.668,5,0.37,0.71,1.0,0.9535244328695771,0.9198307175656226,0.8465064080597628,0.8839438695086012,0.9009513570008909
EOS-3-39054,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)c(F)c1,JNTQCDRRHRBIIO-UHFFFAOYSA-N,3,1,0.488,57,145,419.366,5.063,5,0.407,0.8,1.0,0.9116407374408882,0.9271468713590569,0.9625197039270783,0.9639246795970119,0.9413079980810088
EOS-3-39055,CCCc1cncc(COc2cncc3nnc(-c4cc(-c5ccccn5)c(=O)n(C)c4)n23)n1,KXQRGERIUADVMX-UHFFFAOYSA-N,3,1,0.408,7,85,454.494,2.874,5,0.369,0.59,1.0,0.1569888972654376,0.021871359056952915,0.07563737920636009,0.0634723459666918,0.0794924953738606
EOS-3-39056,COc1ncsc1COc1cncc2nnc(-c3ccc(-c4ncnn4C)nc3)n12,TUXKAPUSWDGUBN-UHFFFAOYSA-N,3,1,0.407,92,45,421.446,2.026,5,0.406,0.63,1.0,0.282571448152971,0.21270817627304503,0.021254540470152836,0.00821568089918443,0.13118746144883833
EOS-3-39057,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(CF)c5)n34)c2)ccc1F,IIFLFKRIUINJEA-UHFFFAOYSA-N,3,1,0.415,97,153,444.445,4.744,5,0.376,0.72,1.0,0.6008241381673635,0.522822287711603,0.8449472277431294,0.7971266534164896,0.6914300767596464
EOS-3-39058,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)ncn2)nc1,XSSQYADOKVRIEE-UHFFFAOYSA-N,3,1,0.36,44,971,451.824,4.676,5,0.392,0.63,0.974,0.6802480981426907,0.670310465355356,0.8209255705571928,0.8185953670070591,0.7475198752655747
EOS-3-39059,Fc1ccccc1-c1nnc2cncc(OCc3cc(-c4c(F)ccnc4F)ncn3)n12,FZMYUIOGZCMUAY-UHFFFAOYSA-N,3,1,0.506,34,675,435.369,3.64,5,0.389,0.59,1.0,0.6892519361250086,0.8132410389966418,0.8054365704886574,0.8099770406414913,0.7794766465629498
EOS-3-39060,Fc1cnc(COc2cncc3nnc(-c4ccc(C(F)F)c(F)c4)n23)c(Cl)c1,RJOSMIUYNUCMJV-UHFFFAOYSA-N,3,1,0.537,90,255,423.757,4.635,4,0.438,0.66,1.0,0.922632101980673,0.9334007264752244,0.9875351243917483,0.987646494414365,0.9578036118155027
EOS-3-39061,CCn1cncc1-c1cc(-c2nnc3cncc(Oc4cc(C)cnc4F)n23)nc(C)n1,WAPMYPDRVJOIAP-UHFFFAOYSA-N,3,1,0.301,31,330,431.435,3.408,5,0.39,0.6,0.999,0.4720632581728463,0.3774929751216503,0.1757504626139401,0.1161932012884655,0.28537497429922554
EOS-3-39062,COc1ncc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1-c1ccccc1,SMTVRHFUFQUSAO-UHFFFAOYSA-N,3,1,0.457,15,657,459.897,3.927,5,0.361,0.67,1.0,0.6861421424165581,0.6749880063052567,0.35866287437461447,0.35322287711603045,0.518253975053115
EOS-3-39063,COc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cc(F)n2)cc1F,PIDKGIPUSNVULH-UHFFFAOYSA-N,3,1,0.533,35,393,461.432,3.552,5,0.339,0.63,1.0,0.7701836748680694,0.6605870056884381,0.6500582550887534,0.5349016517031047,0.6539326468370914
EOS-3-39064,Cn1ncc(-c2cncc3nnc(-c4ccc(C(O)C5CC5)cc4)n23)c1-c1ccc(F)cc1,CEPQMLZQWCOBJJ-UHFFFAOYSA-N,3,1,0.362,62,124,440.482,4.441,6,0.437,0.67,1.0,0.23437392913439792,0.41057843876362143,0.8075868686176411,0.8497875402645466,0.5755816941950518
EOS-3-39065,CC(C)n1nc(C(F)F)nc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)cn3)n12,VIWKBKALNFORTM-UHFFFAOYSA-N,3,1,0.272,50,542,451.416,4.164,5,0.37,0.65,0.681,0.09797135220341306,0.2636299773833185,0.3512867521074635,0.3121958741690083,0.25627098896580086
EOS-3-39066,COc1nc(-c2nncn2C)ccc1-c1nnc2cncc(OCCc3ccnc(C)n3)n12,QFEXPFWKORJZSN-UHFFFAOYSA-N,3,1,0.458,31,456,444.459,1.71,5,0.365,0.57,1.0,0.3243694743334932,0.1272102666027003,0.016919676512918924,0.0056541703790007536,0.1185383969570283
EOS-3-39067,Cc1cc(C)nc(COc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)n1,NKNCDBFQQWZFLD-UHFFFAOYSA-N,3,1,0.464,15,921,410.441,3.234,5,0.435,0.77,1.0,0.4483414433554931,0.3291326845315605,0.13842437118771847,0.09443321225412926,0.25258292783222536
EOS-3-39068,Fc1cc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)ccc1-c1nncs1,RFGVTNMMHHCGDF-UHFFFAOYSA-N,3,1,0.341,30,498,453.466,3.968,6,0.395,0.58,1.0,0.21785689808786238,0.3584487012541978,0.3361661298060448,0.45175964635734356,0.3410578438763622
EOS-3-39069,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC=N5)cn4)n23)nc1,IEMCJBDZGFMZJE-UHFFFAOYSA-N,3,1,0.284,63,108,414.385,1.778,5,0.533,0.61,0.739,0.048231786717839766,0.004283462408333904,0.006622232883284216,0.0023987389486669866,0.015384055239531218
EOS-3-39070,Fc1cnc(Cl)nc1CCOc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,JSPMVTJUNCYTAH-UHFFFAOYSA-N,3,1,0.467,75,420,449.837,2.847,5,0.36,0.59,1.0,0.8535912548831471,0.7889366732917552,0.20232506339524364,0.24300938934959906,0.5219655952299362
EOS-3-39071,Fc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c2)c1,JNRXSFYIMBVVGO-UHFFFAOYSA-N,3,1,0.523,19,732,464.863,4.801,5,0.359,0.72,1.0,0.855501679117264,0.8918597080392022,0.8918083064903023,0.9309248852032075,0.892523644712494
EOS-3-39072,Cn1nc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4cncnc4)c3)n12,JLLGBGNKZQDHGE-UHFFFAOYSA-N,3,1,0.488,4,506,418.848,3.214,5,0.432,0.64,1.0,0.34858817079021315,0.4507316153793434,0.42847474470564045,0.4422246590363923,0.4175047974778973
EOS-3-39073,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)cc1F,GWBJBEBREBPUAP-UHFFFAOYSA-N,3,1,0.524,16,353,419.395,3.444,5,0.406,0.65,1.0,0.890497566993352,0.7504797477897334,0.7568192721540675,0.7030532520046604,0.7752124597354533
EOS-3-39074,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,RGVSTDFMJYXVKK-UHFFFAOYSA-N,3,1,0.489,16,55,435.85,3.958,5,0.389,0.6,1.0,0.6711757247618395,0.5456702761976561,0.8017013912685902,0.7738503186896032,0.6980994277294221
EOS-3-39075,Cn1nnc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c2)n1,ULOCJQZOFHNRNX-UHFFFAOYSA-N,3,1,0.446,36,258,469.843,3.547,5,0.371,0.64,0.998,0.595444109382496,0.7277259954766637,0.6856366938523748,0.6863991501610582,0.6738014872181481
EOS-3-39076,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1F,IPVUJLBVDQVEKG-UHFFFAOYSA-N,3,1,0.518,16,353,453.84,4.097,5,0.373,0.63,1.0,0.9053269138510041,0.8355664450688781,0.8500017133849633,0.8364574052498115,0.8568381193886643
EOS-3-39077,Fc1ccc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c(F)n1,QDEOUEXFGCLBSV-UHFFFAOYSA-N,3,1,0.429,55,390,452.812,3.549,5,0.373,0.6,1.0,0.7468987732163662,0.8918682749640189,0.605501679117264,0.6516088684805702,0.7239693989445548
EOS-3-39078,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(C)nc5C)nc4)n23)cc1F,CIQPXDGEVSMNSY-UHFFFAOYSA-N,3,1,0.454,16,788,485.483,2.733,5,0.385,0.78,1.0,0.667783222534439,0.36289493523404837,0.19888972654375986,0.10043005962579672,0.332499485984511
EOS-3-39079,Fc1cnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nc1,LTGOIIZDIKNXQR-UHFFFAOYSA-N,3,1,0.462,18,262,466.839,3.591,5,0.35,0.64,1.0,0.8577462134192311,0.7970324172435063,0.589541498183812,0.6341409087793846,0.7196152594064835
EOS-3-39080,N#Cc1cc(-c2cc(-c3nnc4cncc(OCc5nccs5)n34)ncn2)ccc1Cl,ZQVHODLHEFAOKE-UHFFFAOYSA-N,3,1,0.517,44,238,446.883,3.809,5,0.4,0.64,0.685,0.5095092865465013,0.6079689534644644,0.5403844835857721,0.5834504146391611,0.5603282845589748
EOS-3-39081,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cnnc(C)c5F)n4)n23)ccc1Cl,DRGJUJVLRNBFJM-UHFFFAOYSA-N,3,1,0.467,16,399,462.876,4.027,5,0.385,0.61,1.0,0.6123466520457816,0.8209684051812761,0.5832019738194778,0.5863460352271949,0.6507157665684326
EOS-3-39082,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)nc1F,GLJFTGKEBFHERV-UHFFFAOYSA-N,3,1,0.396,18,814,468.855,3.535,5,0.352,0.64,1.0,0.6919933520663423,0.6458690288534028,0.4854105270372147,0.5315691179494209,0.5887105064765952
EOS-3-39083,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cc4F)n23)cc1,SMNWPJQBANZRFW-UHFFFAOYSA-N,3,1,0.537,43,433,412.428,4.275,5,0.429,0.81,1.0,0.9615430744979782,0.8864197107806182,0.8246179151531766,0.7833167706120211,0.8639743677609485
EOS-3-39084,CCn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)n1,YHSFXFVDQNUIEN-UHFFFAOYSA-N,3,1,0.489,37,325,464.892,3.879,5,0.36,0.66,1.0,0.5778904804331437,0.6029658693715304,0.2738503186896032,0.3373397985059283,0.44801161675005136
EOS-3-39085,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)n4)n23)cc1Cl,PWEYCZQXMDGJSR-UHFFFAOYSA-N,3,1,0.536,36,610,459.322,3.929,5,0.393,0.64,1.0,0.4299396888492907,0.612723596737715,0.32881570831334384,0.42018196148310605,0.44791523884586393
EOS-3-39086,Cc1cnc(-c2nnc3cncc(-c4cnnc(-c5nnco5)c4)n23)c(-c2cccnc2)c1,KMNYEPCNNLMNSZ-UHFFFAOYSA-N,3,1,0.24,70,719,434.423,3.064,6,0.407,0.53,0.998,0.08586628743746146,0.048780069906106505,0.1628743746144884,0.19077684874237544,0.12207439517510794
EOS-3-39087,Cc1cc(-c2cnc(Cl)cn2)cc(F)c1Oc1cncc2nnc(-c3ccccc3)n12,KINZJWLLXXCUIK-UHFFFAOYSA-N,3,1,0.466,13,374,432.846,5.142,5,0.391,0.73,1.0,0.8466092111575629,0.8390617503940785,0.8283445274484271,0.8205743266397094,0.8336474539099445
EOS-3-39088,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)c1,BPDRLUUYZLQJMQ-UHFFFAOYSA-N,3,1,0.43,87,279,448.849,3.452,5,0.389,0.57,1.0,0.7497087245562333,0.767922006716469,0.48191522171201423,0.5578524432869577,0.6393495990679186
EOS-3-39089,Cc1cnccc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)cn1,YLLHYMKJOAQVDC-UHFFFAOYSA-N,3,1,0.451,55,879,431.406,3.809,5,0.391,0.6,0.999,0.8398242067027619,0.7633130011651018,0.7590552395312179,0.6949575080529093,0.7642874888629978
EOS-3-39090,Cn1nc(Br)cc1-c1cncc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,WSMZWDPWLGIBGY-UHFFFAOYSA-N,3,1,0.517,65,349,477.326,3.366,5,0.37,0.69,1.0,0.4844510314577479,0.4507401823041601,0.32157665684325953,0.2814834487012542,0.3845628298266054
EOS-3-39091,COc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nc4)nc3)n12,RGOYDKSAQBRBNU-UHFFFAOYSA-N,3,1,0.311,82,974,428.431,3.594,6,0.395,0.68,1.0,0.30406586251799056,0.3913885271742855,0.14427558083750258,0.222380234391063,0.2655275512302104
EOS-3-39092,Cc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5ccnc(CF)c5)c4)n23)cn1,KMWQHLOMTVWULG-UHFFFAOYSA-N,3,1,0.489,75,661,442.458,3.438,5,0.378,0.55,1.0,0.6585566445068878,0.48146974162154754,0.2960386539647728,0.23407408676581454,0.41753478171475567
EOS-3-39093,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)nn2C)s1,UBYUUDJLIQUZNI-UHFFFAOYSA-N,3,1,0.457,95,235,452.931,3.627,5,0.388,0.62,1.0,0.2936399150161058,0.28424199849222126,0.11517373723528203,0.1358285929682681,0.2072210609279693
EOS-3-39094,Cc1cnc(Cl)nc1-c1cc(COc2cncc3nnc(-c4ccncn4)n23)ncn1,ZFHFPQDTNKBERB-UHFFFAOYSA-N,3,1,0.392,7,395,432.835,2.369,5,0.381,0.59,0.999,0.48696970735384826,0.5001713384963333,0.10952813378109794,0.10460215201151395,0.30031783291069836
EOS-3-39095,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncc(C)n5)ncn4)n23)nc1,UXJUUPBSHCVVHN-UHFFFAOYSA-N,3,1,0.365,33,53,469.469,1.465,5,0.368,0.56,0.54,0.2691128092659859,0.060079843739291344,0.02038071413885272,0.006245288191350833,0.0889546638338702
EOS-3-39096,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cscc5F)n34)nc2C)n(C)n1,JHPISLHVCZTDIO-UHFFFAOYSA-N,3,1,0.483,31,690,449.515,4.026,5,0.389,0.63,1.0,0.4483500102803098,0.3961260365979028,0.27385888561441984,0.2167603317113289,0.3337738160509903
EOS-3-39097,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnc(F)c6)cn5)n34)nc2)n(C)n1,MOQNVIKQWCBWTK-UHFFFAOYSA-N,3,1,0.274,70,72,464.468,3.553,6,0.364,0.62,0.992,0.11589335891988212,0.2176170241929957,0.3512953190322802,0.32428380508532656,0.25227237680762116
EOS-3-39098,COCc1nccc(COc2cncc3nnc(-c4ccc(-c5cc(C)n(C)n5)c(F)c4)n23)n1,BWRONXIWVVSAFE-UHFFFAOYSA-N,3,1,0.484,4,677,460.473,3.155,5,0.365,0.64,1.0,0.43422315125762456,0.43329792337742445,0.28879103556987185,0.1907854156671921,0.3367743814680283
EOS-3-39099,O=c1[nH]nc(Cl)cc1-c1cc(COc2cncc3nnc(-c4ccc(F)cn4)n23)ncn1,RHSBYYRJEVSGCS-UHFFFAOYSA-N,3,1,0.369,46,128,451.809,2.098,5,0.425,0.56,0.996,0.4968645055170996,0.4378383935302584,0.3397556713042286,0.4010434514426701,0.4188755054485642
EOS-3-39100,Cn1ncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1-c1ccccc1,HQHAMHPRZZJHBU-UHFFFAOYSA-N,3,1,0.494,27,700,433.422,4.103,5,0.401,0.64,1.0,0.4894369817010486,0.43784696045507504,0.7144129943115619,0.637173600164485,0.5697176341580427
EOS-3-39101,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nccs5)c4)n23)cc1,UPTMBJDAVWRUAA-UHFFFAOYSA-N,3,1,0.467,67,49,468.506,3.079,6,0.363,0.66,1.0,0.5045833047769173,0.32914125145637724,0.1263021725721335,0.10898841751764786,0.2672537865807689
EOS-3-39102,Cc1cncc(COc2cncc3nnc(-c4ccccc4-c4nnnn4C)n23)c1F,SRQWTVQXPZGBLN-UHFFFAOYSA-N,3,1,0.512,36,728,417.408,2.403,5,0.429,0.63,1.0,0.5195839901309026,0.4243112192447399,0.219955794667946,0.22840278253718047,0.34806344664519223
EOS-3-39103,Clc1cc(COc2cncc3nnc(-c4cc(-c5cncs5)ccn4)n23)ccn1,BSHMUJOACZVEIG-UHFFFAOYSA-N,3,1,0.414,18,160,421.873,3.937,5,0.397,0.68,1.0,0.5195925570557193,0.5135785758344185,0.5235076416969364,0.5448135837159893,0.5253730895757659
EOS-3-39104,Cc1ccc(-c2c(-c3cncc4nnc(-c5nc(-c6cccnn6)ccc5F)n34)cnn2C)nn1,QKAAJTXKRKBHTD-UHFFFAOYSA-N,3,1,0.256,76,887,465.456,2.948,6,0.386,0.57,0.884,0.06928072099239257,0.20303611815502706,0.12110204920841615,0.15034096360770338,0.1359399629908848
EOS-3-39105,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nc2C)n1,OVKRQBLEVUGQPD-UHFFFAOYSA-N,3,1,0.432,31,578,443.446,2.811,5,0.365,0.59,1.0,0.6980758686861764,0.6219587416900829,0.15644918100198751,0.13583715989308479,0.4030802378178329
EOS-3-39106,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5cccc(C#N)n5)n34)ccn2)n1,AKCIJTCZHBCSQO-UHFFFAOYSA-N,3,1,0.478,75,420,421.424,2.797,5,0.421,0.6,1.0,0.49195565759714893,0.42874031937495716,0.2738674525392365,0.20496367623877731,0.34988177643752993
EOS-3-39107,COc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4nccn4C)c(F)n3)n12,IAMWZFDONNRXCE-UHFFFAOYSA-N,3,1,0.408,46,223,465.876,3.967,5,0.35,0.7,0.991,0.6233808512096498,0.5842728394215613,0.5992135563018299,0.5414810499623055,0.5870870742238365
EOS-3-39108,COCc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)cn1,MMUXEWSCWMZPJM-UHFFFAOYSA-N,3,1,0.541,90,811,416.363,2.767,4,0.428,0.64,1.0,0.6465029812898362,0.7186022205469125,0.7525358097457336,0.6890548968542252,0.7016739771091769
EOS-3-39109,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncs5)n34)c2)nn1,CQJOYGWWMMFNKQ-UHFFFAOYSA-N,3,1,0.425,53,785,417.458,2.425,5,0.41,0.68,0.999,0.4092505654170379,0.2380491398807484,0.053551847028990476,0.04940545541772325,0.18756425193612503
EOS-3-39110,CCCOc1ccc(-c2nnc3cncc(-c4c(-c5ccccc5)ncn4CC)n23)cn1,JOUNYPXDHCZQFP-UHFFFAOYSA-N,3,1,0.312,52,336,425.496,4.526,5,0.381,0.77,0.79,0.18460009594955795,0.12350078815708314,0.1564577479268042,0.13584572681790144,0.15010108971283667
EOS-3-39111,N#Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nc1,VKOKFZUEVPFIGQ-UHFFFAOYSA-N,3,1,0.45,87,173,454.881,3.79,5,0.356,0.63,0.994,0.7787763004591872,0.8092745528065246,0.6259509286546501,0.6459204304023027,0.7149805530806661
EOS-3-39112,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cn1,HWKQRRFXXMOPRH-UHFFFAOYSA-N,3,1,0.365,69,30,445.461,5.116,6,0.351,0.78,1.0,0.30135871427592353,0.4507487492289768,0.8386762387773284,0.8364659721746281,0.6068124186142143
EOS-3-39113,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5nnc(Cl)nn5)c4)n23)nc1,UZKMTMVZTKSHLC-UHFFFAOYSA-N,3,1,0.245,99,813,469.86,1.944,6,0.372,0.58,0.999,0.07700808717702694,0.15652628332533752,0.0554879720375574,0.08674011376876156,0.09394061407717086
EOS-3-39114,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3c(F)cncc3Cl)n12,QYOLQYYFLPHPBN-UHFFFAOYSA-N,3,1,0.449,55,980,466.864,3.362,5,0.375,0.62,0.999,0.6494071688026866,0.5364436981701048,0.4889572339113152,0.4232831882667398,0.5245228222877115
EOS-3-39115,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)[nH]2)cn1,RGWXSHRHJSGRSH-UHFFFAOYSA-N,3,1,0.279,10,880,453.857,3.144,6,0.399,0.57,0.009,0.13498903433623466,0.23296038653964773,0.14140566102391885,0.2904787197587554,0.19995845041463917
EOS-3-39116,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccnc(F)c5)c4)n23)c1Cl,BAKVXHKPBDRQNX-UHFFFAOYSA-N,3,1,0.451,75,183,447.861,4.323,5,0.37,0.64,1.0,0.7758892467959702,0.7372095812487149,0.7824772119799877,0.7641953944212185,0.7649428586114728
EOS-3-39117,COc1nnc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1-c1cccnn1,FDEDIYMIWSCACA-UHFFFAOYSA-N,3,1,0.373,53,466,462.861,2.112,5,0.351,0.6,0.965,0.506990610650401,0.4860701802480981,0.05549653896237407,0.06514289630594201,0.2784250565417038
EOS-3-39118,Cc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc(-c2ncc(F)cn2)n1,DLTDXSCQWSLTRA-UHFFFAOYSA-N,3,1,0.547,73,930,448.849,3.718,5,0.4,0.55,1.0,0.592505654170379,0.6219673086148996,0.4541326845315605,0.4794051127407306,0.5370026900143925
EOS-3-39119,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnc(C#N)s5)cc4F)n23)cc1,DKRXKWKNNHCLNT-UHFFFAOYSA-N,3,1,0.337,9,642,480.492,3.783,6,0.373,0.72,1.0,0.22619251593448017,0.3961346035227195,0.37782708518950037,0.41690939620313894,0.35426590021245974
EOS-3-39120,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cn(C)cn5)cc4F)n23)ccn1,OAKLRGHBARLTHN-UHFFFAOYSA-N,3,1,0.483,16,55,415.432,3.613,5,0.436,0.73,1.0,0.6861507093413748,0.6264049756699335,0.6665495853608389,0.5545370433829073,0.6334105784387636
EOS-3-39121,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2F)n1,JXRXBUPYBKPUPN-UHFFFAOYSA-N,3,1,0.527,37,589,462.876,3.761,5,0.375,0.59,1.0,0.9005037351792201,0.9216897402508396,0.46816530738126244,0.5181190459872524,0.7021194571996436
EOS-3-39122,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)ccc2F)cn1,CHSMSDDYFNHFQL-UHFFFAOYSA-N,3,1,0.58,43,623,464.888,4.056,5,0.407,0.68,1.0,0.8014272496744569,0.8209769721060928,0.9297340826536906,0.9083253375368378,0.8651159104927695
EOS-3-39123,Cc1cnc(-c2cc(-c3nnc4cncc(OCCCBr)n34)nc(C)n2)cn1,OZTSDXXHEDTRBW-UHFFFAOYSA-N,3,1,0.416,31,330,441.293,2.819,4,0.332,0.63,1.0,0.5224282091700363,0.3439877321636625,0.019524021657185937,0.016996778836268933,0.22573418545678842
EOS-3-39124,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccc2F)c(C)n1,ZIAQZIOSIWGNOX-UHFFFAOYSA-N,3,1,0.484,16,253,459.46,4.426,5,0.384,0.65,1.0,0.8645826194229319,0.7679305736412857,0.7353676924131314,0.6166815160030156,0.7461406003700911
EOS-3-39125,Fc1ccncc1CCOc1cncc2nnc(-c3cc(Cl)c(-c4cccnn4)cn3)n12,FRYKQOKVUYWOBL-UHFFFAOYSA-N,3,1,0.447,18,88,448.849,3.452,5,0.389,0.53,1.0,0.8014358165992735,0.7633215680899185,0.567207525186759,0.6311853197176341,0.6907875573983963
EOS-3-39126,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)cn1,XXYWSVIVCJJRJT-UHFFFAOYSA-N,3,1,0.538,16,716,419.445,3.731,5,0.429,0.66,1.0,0.7927917894592557,0.7186107874717291,0.5060653827702009,0.45809060379686106,0.6188896408745117
EOS-3-39127,CCn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncc(C)n5)cn4)n23)cc1,YSXCRJKHBRSATP-UHFFFAOYSA-N,3,1,0.245,70,369,460.505,3.897,6,0.381,0.62,1.0,0.024347200328969913,0.008147145500651086,0.18864368446302515,0.18802686587622508,0.1022912240422178
EOS-3-39128,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4F)n23)cc1,ISOAZSFECGRAKI-UHFFFAOYSA-N,3,1,0.523,43,520,458.432,3.799,5,0.381,0.62,1.0,0.8601021177438147,0.7324549379754643,0.7801898430539373,0.7274261531080803,0.7750432629703242
EOS-3-39129,Clc1cnc(COc2cncc3nnc(-c4nccnc4-c4cncnc4)n23)cn1,DVXFNZJRYCUIAW-UHFFFAOYSA-N,3,1,0.376,7,435,418.808,2.061,5,0.418,0.62,0.997,0.43683606332670827,0.4596840518127613,0.10681241861421424,0.1454406826125694,0.2871933040915633
EOS-3-39130,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cocn4)cc3)n12,QACLJOKCLFWPJA-UHFFFAOYSA-N,3,1,0.342,69,152,441.838,4.817,6,0.383,0.67,1.0,0.3013672812007402,0.3867880885477349,0.7068055650743609,0.7409019258446988,0.5339657151668836
EOS-3-39131,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)ncn1,RWRXDHPBBIZFCA-UHFFFAOYSA-N,3,1,0.517,73,446,420.383,2.839,5,0.431,0.57,1.0,0.6290607223631005,0.6264135425947502,0.4990662051949832,0.4885888561441985,0.5607823315742582
EOS-3-39132,Fc1cnc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)nc1,VIDRSDVNIHZGTK-UHFFFAOYSA-N,3,1,0.549,59,293,468.826,4.898,5,0.365,0.76,1.0,0.9596069494894113,0.9572510451648276,0.9492152696867933,0.957859296826811,0.9559831402919607
EOS-3-39133,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cs1,YXFZHAHVFYXRDE-UHFFFAOYSA-N,3,1,0.293,99,892,438.48,3.167,6,0.412,0.57,0.988,0.06724179288602564,0.08537797272291138,0.08488965800836132,0.11139572339113152,0.08722628675210747
EOS-3-39134,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ncn2)nc1,OIELVIUBDFEJFD-UHFFFAOYSA-N,3,1,0.389,44,971,450.289,5.051,5,0.378,0.73,0.992,0.5895757658830786,0.5939363306147625,0.7276060585292303,0.7855870056884381,0.6741762901788774
EOS-3-39135,Cc1ccc(-c2nnc3cncc(COc4ccc(-c5cncc(F)c5)nc4)n23)nc1,APMPEODOYXXFTM-UHFFFAOYSA-N,3,1,0.375,85,767,413.416,3.67,5,0.434,0.72,1.0,0.522436776094853,0.4956308683434994,0.5635665821396751,0.5148379137824687,0.524118035090124
EOS-3-39136,Cc1nccc(COc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)c1F,QYVJLFJYJJCNKT-UHFFFAOYSA-N,3,1,0.472,16,606,413.416,3.67,5,0.434,0.72,1.0,0.7614625454047015,0.6079775203892811,0.65006682201357,0.5706685628126927,0.6475438626550614
EOS-3-39137,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)nc2)nc1,KSJJNEUWJXVHLB-UHFFFAOYSA-N,3,1,0.293,70,687,419.408,3.36,6,0.423,0.6,1.0,0.1542217805496539,0.10769481187033103,0.24484271126036597,0.24565656911794942,0.1881039681995751
EOS-3-39138,CCn1cncc1-c1ccc(Cl)c(-c2nnc3cncc(Cc4c(C)nn(C)c4C)n23)c1,FTBFCKGWAGBCDP-UHFFFAOYSA-N,3,1,0.306,85,448,446.946,4.269,5,0.403,0.67,0.775,0.09797991912822973,0.27899904050442054,0.19889829346857651,0.21090055513672812,0.19669445205948874
EOS-3-39139,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)ccn4)n23)nc1,YWLYGZMTOGRWLB-UHFFFAOYSA-N,3,1,0.282,39,114,466.415,3.441,6,0.385,0.57,1.0,0.2664827633472689,0.3439962990884792,0.3887327804811185,0.4517682132821602,0.3627450140497567
EOS-3-39140,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)ncc1Cl,PBUAPBYEOTZGKA-UHFFFAOYSA-N,3,1,0.478,46,469,451.824,4.154,5,0.371,0.63,1.0,0.6802566650675074,0.7417671852511822,0.780198409978754,0.805753546706874,0.7519939517510794
EOS-3-39141,Cc1nc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1C,UAEJCGQCHSILCL-UHFFFAOYSA-N,3,1,0.419,54,511,452.4,3.287,5,0.378,0.59,0.997,0.509517853471318,0.4814783085463642,0.735376259337948,0.6687427181139058,0.598778784867384
EOS-3-39142,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)nc5)n34)s2)nn1,XLQFBHBWALUCQR-UHFFFAOYSA-N,3,1,0.242,99,286,442.472,1.901,6,0.402,0.53,0.989,0.018196148310602425,0.035004454800904666,0.01622575560276883,0.015120622301418682,0.02113674525392365
EOS-3-39143,CCCc1cccc(-c2cc(-c3nnc4cncc(OCc5cc(C)n(C)n5)n34)ccn2)n1,ZNEGIJUYXDJABB-UHFFFAOYSA-N,3,1,0.441,24,241,440.511,3.822,5,0.38,0.62,1.0,0.187512850387225,0.12000548283188267,0.09913645397847988,0.053200603111507094,0.11496384757727367
EOS-3-39144,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccsc6)nn5)n34)nc2)o1,IZDOAMPTSHGDRU-UHFFFAOYSA-N,3,1,0.277,70,813,438.476,4.335,6,0.4,0.61,0.645,0.08829929408539511,0.08205400589404427,0.2307329860873141,0.2517305188129669,0.16320420121993007
EOS-3-39145,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)c(F)c1F,ZPYGMACONZBUNP-UHFFFAOYSA-N,3,1,0.27,39,144,472.394,3.308,6,0.359,0.65,0.954,0.03789150846412172,0.16812589952710574,0.410150092522788,0.544822150640806,0.29024741278870536
EOS-3-39146,Clc1cccc(-c2nnccc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,DTOSIRPBMXFMKI-UHFFFAOYSA-N,3,1,0.31,9,7,452.869,3.749,6,0.401,0.58,1.0,0.279864299910904,0.32011171269960936,0.3887413474059352,0.467454252621479,0.36404290315948185
EOS-3-39147,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)cnn4)n23)cn1,RVQQHLNZGPRBAG-UHFFFAOYSA-N,3,1,0.44,53,466,417.408,2.137,5,0.413,0.62,1.0,0.42994825577410734,0.33885614419847854,0.23074155301213076,0.23122130080186415,0.3076918134466452
EOS-3-39148,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccn1,GLEVWSWOCPVNPH-UHFFFAOYSA-N,3,1,0.455,55,283,419.836,2.609,5,0.4,0.62,1.0,0.5326057158522377,0.617623877732849,0.23775786443698171,0.26960969090535264,0.4143992872318553
EOS-3-39150,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)n1,FTETVJADLMOLFI-UHFFFAOYSA-N,3,1,0.402,63,334,405.437,2.63,5,0.533,0.86,1.0,0.16783462408333905,0.16813446645192243,0.0712939483243095,0.09638647111232952,0.12591237749297512
EOS-3-39151,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)cn1,HIGLNOIATNJBPF-UHFFFAOYSA-N,3,1,0.467,54,511,414.404,3.065,5,0.432,0.66,1.0,0.6039167980261805,0.5135871427592351,0.45414125145637724,0.4389178260571585,0.5026407545747378
EOS-3-39152,CCn1ncnc1-c1cccc(COc2cncc3nnc(-c4ccc(C)cc4)n23)c1,OBOCCCDVOUQRIL-UHFFFAOYSA-N,3,1,0.53,89,250,411.469,3.957,5,0.421,0.84,1.0,0.4254249194709067,0.26363854430813516,0.3103111507093414,0.2696182578301693,0.31724821807963816
EOS-3-39153,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccccc4)n23)cn1,WCRVQOPKZRUEHD-UHFFFAOYSA-N,3,1,0.341,82,204,408.425,2.67,5,0.487,0.77,1.0,0.1986327187992598,0.07505482831882668,0.12111061613323282,0.10899698444246453,0.12594878692344597
EOS-3-39154,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cnc4C#N)n23)cc1-c1nccn1C,MKFZMPBNXWMVIB-UHFFFAOYSA-N,3,1,0.478,16,353,440.442,3.485,5,0.412,0.58,1.0,0.6920019189911589,0.6312624220409842,0.6113186210677816,0.5113254746076349,0.6114771091768898
EOS-3-39155,Fc1ccc(-c2ccc(F)c(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nn1,BCIDWGBJWVGUJO-UHFFFAOYSA-N,3,1,0.495,19,639,465.851,4.196,5,0.347,0.72,1.0,0.862492289767665,0.9121718867795217,0.7478240010965663,0.7902902474127887,0.8281946062641354
EOS-3-39156,FCc1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)ccn2)ccn1,HOCMHQXHRPTSNA-UHFFFAOYSA-N,3,1,0.447,75,183,449.396,3.97,5,0.362,0.64,1.0,0.8601106846686314,0.7417757521759989,0.8190751147967925,0.7738588856144198,0.7987051093139605
EOS-3-39157,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)cnc2Cl)ccn1,BCLFKYMTXADFTF-UHFFFAOYSA-N,3,1,0.439,87,779,449.837,2.847,5,0.36,0.58,1.0,0.809343088205058,0.852409019258447,0.4250479747789733,0.49472277431293266,0.6453807141388528
EOS-3-39158,Fc1ccc(COc2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)ccn2)cc1F,JUBSWOUHWAHIHV-UHFFFAOYSA-N,3,1,0.603,57,533,449.848,5.364,5,0.361,0.81,1.0,0.885006168185868,0.9650983482968953,0.9726715098348296,0.9746676033171133,0.9493609074086765
EOS-3-39159,FCc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)o1,TUKJYVYXBBVLRK-UHFFFAOYSA-N,3,1,0.31,69,152,449.449,5.04,6,0.364,0.74,1.0,0.22620108285929683,0.23805770680556507,0.5060739496950175,0.5349102186279213,0.37631073949695015
EOS-3-39160,Cn1cc(-c2ncc(-c3cncc4nnc(-c5ccc(-c6cccnc6Cl)cn5)n34)cn2)cn1,ZHTSATGTEJRSFV-UHFFFAOYSA-N,3,1,0.275,86,967,466.896,3.759,6,0.361,0.65,1.0,0.11026488931533136,0.1893718730724419,0.3961603042971695,0.4328353094373244,0.2821580940305668
EOS-3-39161,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc6ncccc6c5)n34)cc2)n1,BSUVHCUMLUQDKX-UHFFFAOYSA-N,3,1,0.337,9,867,415.46,4.772,6,0.414,0.81,1.0,0.2718713590569529,0.22302275375231306,0.5959581248714961,0.5984425330683298,0.422323692687273
EOS-3-39162,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ncc(Cl)cc5Cl)n34)nc(C)n2)cn1,VZJCGEWFAGIDJC-UHFFFAOYSA-N,3,1,0.327,46,500,465.304,4.754,5,0.375,0.72,1.0,0.5429545610307724,0.5409670344733054,0.45755945445822765,0.47941367966554727,0.5052236824069631
EOS-3-39163,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,CRGNMBXNQQTWIU-UHFFFAOYSA-N,3,1,0.397,96,46,418.382,4.992,5,0.411,0.79,0.94,0.35531320677129735,0.6312709889658008,0.9503975053114934,0.9443835240901925,0.720341306284696
EOS-3-39164,CCOc1c(Cl)ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)c(F)c4)n23)c1F,XRKVJXLXAPMLLA-UHFFFAOYSA-N,3,1,0.333,45,46,454.824,4.839,5,0.375,0.7,1.0,0.7103694057980947,0.8524175861832637,0.8771759989034337,0.8697484750873826,0.8274278664930437
EOS-3-39165,c1cc(-c2ccnnc2)nc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,ZQTNLUGXUWFEMM-UHFFFAOYSA-N,3,1,0.259,76,387,419.412,2.49,6,0.457,0.56,1.0,0.09315674045644576,0.12350935508189981,0.17575902953875677,0.19079398259200878,0.14580477691727778
EOS-3-39166,c1ccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5cccnn5)[nH]4)n23)cc1,JIQIFUGPZJNFJD-UHFFFAOYSA-N,3,1,0.288,10,407,419.412,2.49,6,0.457,0.56,0.276,0.1132119114522651,0.08538653964772805,0.08489822493317799,0.14544924953738605,0.1072364813926393
EOS-3-39167,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)nc2)c1,SLNTXFGZKNYUSR-UHFFFAOYSA-N,3,1,0.603,1,210,412.428,4.275,5,0.429,0.8,1.0,0.8905061339181687,0.8988417517647865,0.7092043040230279,0.6976132547460764,0.7990413611130148
EOS-3-39168,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)cn4)n23)ccc1C(F)F,NHFYDIBGTINIMM-UHFFFAOYSA-N,3,1,0.553,27,343,449.396,4.299,5,0.382,0.62,1.0,0.7614711123295183,0.8584658351038311,0.9237201014323898,0.8782639983551505,0.8554802618052224
EOS-3-39169,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(C)n4)n23)c(Cl)n1,LUPLCPNMNKGSCV-UHFFFAOYSA-N,3,1,0.388,7,535,447.89,3.401,5,0.364,0.63,1.0,0.35300870399561374,0.3867966554725516,0.16288294153930505,0.14545781646220274,0.2620365293674183
EOS-3-39170,c1cncc(-c2sccc2-c2nnc3cncc(Cc4ccc(-c5cncnc5)nc4)n23)c1,CEEWREQICJQQKB-UHFFFAOYSA-N,3,1,0.32,94,165,448.515,4.358,6,0.387,0.64,0.994,0.06180179562744157,0.05621616064697416,0.4136882324720718,0.4169179631279556,0.2371560379686108
EOS-3-39171,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ncn2)cc1,LMLSDZMLUJTIJK-UHFFFAOYSA-N,3,1,0.494,44,130,449.396,3.682,5,0.391,0.57,0.88,0.8713247892536495,0.7679391405661024,0.8228445617161264,0.8346155164142279,0.8241810019875266
EOS-3-39172,Cn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,UWGNYFKQLOHPEJ-UHFFFAOYSA-N,3,1,0.293,86,421,467.884,3.154,6,0.359,0.63,0.414,0.12660201494071688,0.17229799191282297,0.1293091631827839,0.21676889863614557,0.16124451716811733
EOS-3-39173,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(C)n2)n1,HNVLFVSGHIZJCM-UHFFFAOYSA-N,3,1,0.478,58,578,458.913,3.93,5,0.352,0.67,1.0,0.7406277842505654,0.7633301350147351,0.25914090877938456,0.2456651360427661,0.5021909910218628
EOS-3-39174,Cc1cnc(-c2nccnc2-c2nnc3cncc(Oc4ccc(-c5nccn5C)cn4)n23)nc1,MDNGQHWNIBOUKK-UHFFFAOYSA-N,3,1,0.291,80,34,463.465,2.935,6,0.375,0.61,1.0,0.3943184154615859,0.1809934206017408,0.047871975875539714,0.033590912206154476,0.16419368103625523
EOS-3-39175,Cc1cnc(-c2nc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccc2F)cn1,ZNQSWCUVBDDMME-UHFFFAOYSA-N,3,1,0.41,58,954,462.876,3.761,5,0.351,0.66,0.96,0.7103779727229114,0.7048009046672606,0.33273079295456104,0.382376122267151,0.5325714481529711
EOS-3-39176,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cn1,BZBLYSBZJZDWPV-UHFFFAOYSA-N,3,1,0.297,9,537,419.452,3.644,6,0.468,0.64,1.0,0.09553834555547941,0.07149098759509287,0.5303354807758207,0.48859742306901516,0.29649055924885204
EOS-3-39177,Cc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,YQCMQABPJMJJLW-UHFFFAOYSA-N,3,1,0.443,26,24,464.892,3.704,5,0.378,0.6,0.991,0.6465115482146528,0.6127321636625317,0.4101586594476047,0.4137653347954218,0.5207919265300528
EOS-3-39178,Cc1ccc(F)c(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccn2)c1F,KSQSCFNBMJKZLP-UHFFFAOYSA-N,3,1,0.539,35,429,462.435,4.596,5,0.367,0.69,1.0,0.9490610650400932,0.8810653827702009,0.9022342539921869,0.882607429237201,0.9037420327599205
EOS-3-39179,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)c2)cn1,KVKAXAXUWANRME-UHFFFAOYSA-N,3,1,0.316,38,714,449.453,3.85,6,0.377,0.59,1.0,0.11868617641011582,0.22303132067712975,0.6803252004660407,0.6630457131108217,0.421272102666027
EOS-3-39180,CC(C)(N)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cn1,OVPNCANVJQPZCC-UHFFFAOYSA-N,3,1,0.346,29,704,409.457,2.899,5,0.481,0.76,0.988,0.1759046672606401,0.08866767185251183,0.19548865739154273,0.10461071893633062,0.1411679288602563
EOS-3-39181,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2F)nc1,SFQBUKDHKHOBDQ-UHFFFAOYSA-N,3,1,0.549,59,89,450.836,4.759,5,0.384,0.66,1.0,0.9673343156740456,0.9470307038585429,0.9305736412857241,0.9411709272839421,0.9465273970255637
EOS-3-39182,Clc1ccc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ncccn5)n34)c2)nn1,HERDDISMALUPDI-UHFFFAOYSA-N,3,1,0.293,32,371,463.892,4.421,6,0.378,0.64,1.0,0.1957627989856761,0.25334110067850046,0.38874991433075184,0.4857103694057981,0.33089104585018164
EOS-3-39183,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nnc2Cl)c(F)c1,MMJXERKXKWRBDZ-UHFFFAOYSA-N,3,1,0.457,54,873,466.839,3.591,5,0.374,0.6,1.0,0.8323795490370777,0.8209855390309094,0.5832105407442945,0.6570145980398876,0.7233975567130423
EOS-3-39184,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)c1,OEJMQTIATZDZKG-UHFFFAOYSA-N,3,1,0.495,77,190,479.479,3.762,6,0.355,0.75,1.0,0.6233894181344665,0.5842814063463779,0.5132444657665685,0.5315776848742375,0.5631232437804126
EOS-3-39185,Clc1ccccc1Cn1nnc(-c2cncc3nnc(-c4cccnc4-c4cncnc4)n23)n1,JCNHSBIJJVYYIE-UHFFFAOYSA-N,3,1,0.33,94,342,467.884,2.998,6,0.376,0.58,0.998,0.09554691248029608,0.2078164622027277,0.11220958124871497,0.2486207251045165,0.1660484202590638
EOS-3-39186,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,RFHMTNVYQZZSFB-UHFFFAOYSA-N,3,1,0.757,91,660,417.469,4.675,5,0.402,0.79,1.0,0.9520851895003769,0.9350284421903914,0.7615653485025016,0.7563395243643342,0.8512546261394011
EOS-3-39187,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nn2)s1,KPIYPMWIVXOKNU-UHFFFAOYSA-N,3,1,0.389,53,411,455.866,3.175,5,0.393,0.57,0.996,0.6008327050921801,0.5548197519018573,0.17576759646357343,0.26083715989308476,0.3980643033376739
EOS-3-39188,Cc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)c(C)n1,OIBAYSYTLQEGIT-UHFFFAOYSA-N,3,1,0.43,92,85,445.874,3.283,5,0.375,0.58,1.0,0.4670516071550956,0.6749965732300733,0.2023336303200603,0.20189671715441027,0.3865696319649099
EOS-3-39189,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)cnc5Cl)n34)nn2)nc1,QIBTVDUXJNVNHK-UHFFFAOYSA-N,3,1,0.378,53,62,445.874,3.283,5,0.375,0.58,0.92,0.6039253649509972,0.5273199232403536,0.17893735864574054,0.18529401685970803,0.37386916592419983
EOS-3-39190,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncccc5F)c4)n23)nn1,QSURUOLZRNJRKP-UHFFFAOYSA-N,3,1,0.524,24,912,414.404,3.065,5,0.432,0.68,1.0,0.5925142210951957,0.5135957096840518,0.3215852237680762,0.2963813309574395,0.4310191213761908
EOS-3-39191,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)s1,DBISDLSYSOIRHS-UHFFFAOYSA-N,3,1,0.454,87,838,450.915,3.683,5,0.361,0.65,1.0,0.48944554862586526,0.5939448975395792,0.1414142279487355,0.18530258378452472,0.3525268144746762
EOS-3-39192,Fc1ccc(-n2cc(-c3cncc4nnc(-c5scnc5-c5ccccc5)n34)nn2)cn1,DDOKTVXTKZIDFW-UHFFFAOYSA-N,3,1,0.333,10,705,441.455,3.697,6,0.385,0.57,1.0,0.008789664861901173,0.05622472757179083,0.24142450825851552,0.35010451648276336,0.16413585429374272
EOS-3-39193,Cc1cc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)n(C)n1,MRABWTMFKIWKJB-UHFFFAOYSA-N,3,1,0.46,13,995,419.395,3.966,5,0.438,0.65,1.0,0.40059797135220343,0.4684137482009458,0.7453395928997327,0.7003975053114934,0.5786872044410938
EOS-3-39194,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)cn4)n23)nc1,JFMDKRNTUNHHIR-UHFFFAOYSA-N,3,1,0.277,39,114,467.884,3.154,6,0.384,0.58,0.804,0.14878178329106984,0.2230398876019464,0.1151823041600987,0.18803543280104174,0.16875985196353915
EOS-3-39195,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3ccc(Cl)cc3F)n12,ADXUQERZACHYPU-UHFFFAOYSA-N,3,1,0.511,16,521,464.888,4.572,5,0.366,0.7,1.0,0.7675450620245357,0.69981495442396,0.8386848057021452,0.7762404907134535,0.7705713282160236
EOS-3-39196,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cn1,DXOLJKLENJIDGQ-UHFFFAOYSA-N,3,1,0.64,84,360,465.851,4.196,5,0.371,0.65,1.0,0.9172263724213556,0.9179802618052224,0.8649595641148653,0.8679579878006991,0.8920310465355356
EOS-3-39197,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cnnc(-c5ccncc5)c4)n23)c1,PQZKWMNSYNHZCL-UHFFFAOYSA-N,3,1,0.566,84,752,447.861,4.057,5,0.387,0.57,1.0,0.7758978137207868,0.8209941059557261,0.7639212528270852,0.7992940853951066,0.7900268144746763
EOS-3-39198,CC(C)c1ncncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,OFKMPKWTAVAPKB-UHFFFAOYSA-N,3,1,0.324,52,582,476.544,4.326,6,0.388,0.73,0.999,0.11869474333493249,0.048788636830923174,0.20234219724487698,0.16099821807963813,0.13270594887259268
EOS-3-39199,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c(C)n2)nc1,QFWLUUIIAOOSJO-UHFFFAOYSA-N,3,1,0.489,59,665,463.423,4.256,5,0.36,0.67,0.976,0.8169505174422589,0.8248834898224933,0.7639298197519019,0.7030618189294771,0.7772064114865328
EOS-3-39200,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4Cl)n23)n1,JJWCYFCCQBQWTP-UHFFFAOYSA-N,3,1,0.457,73,775,449.837,3.113,5,0.373,0.59,1.0,0.6585652114317044,0.7277345624014804,0.23776643136179837,0.25477177712288396,0.4697094955794668
EOS-3-39201,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)s1,NKTSVRKFZXSGHA-UHFFFAOYSA-N,3,1,0.269,76,880,438.48,3.167,6,0.412,0.56,0.79,0.028956205880337194,0.02901617435405387,0.04162668768418888,0.07801898430539374,0.044404513055993425
EOS-3-39202,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)s5)n34)cn2)n1,CXQJQTBDNASMEM-UHFFFAOYSA-N,3,1,0.304,76,368,443.517,5.002,6,0.378,0.74,1.0,0.18752141731204167,0.2329689534644644,0.16289150846412173,0.18804399972585842,0.19285646974162154
EOS-3-39204,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1-c1cncnn1,WWBRCJUFQAYEOM-UHFFFAOYSA-N,3,1,0.408,80,584,468.416,1.936,6,0.381,0.57,1.0,0.5836474539099444,0.55049345486944,0.21634911932012885,0.20190528407922692,0.3880988280446851
EOS-3-39205,CCc1ccc(-c2nnc3cncc(OCc4cncc(-c5nnc(C)o5)c4)n23)cc1,UROVPASZZRWZJS-UHFFFAOYSA-N,3,1,0.585,89,656,413.441,3.686,5,0.415,0.77,1.0,0.5480947159207731,0.33379309163182785,0.3141834007264752,0.20785929682681104,0.3509826262764718
EOS-3-39206,Fc1cc(-c2cnncn2)cc(-c2cncc3nnc(-c4ccc(-c5ccncn5)cn4)n23)n1,SJHFZDDUPJQFGB-UHFFFAOYSA-N,3,1,0.25,70,566,449.413,2.696,6,0.37,0.55,0.645,0.25561990267973406,0.2533496676033171,0.36604756356658213,0.3694914673428826,0.311127150298129
EOS-3-39207,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cn4)n23)c1,WVRZXRJKXPPMLI-UHFFFAOYSA-N,3,1,0.585,84,529,418.457,4.07,5,0.414,0.7,1.0,0.5895843328078952,0.5939534644643959,0.6259594955794668,0.6371821670893016,0.6116698649852649
EOS-3-39209,CCOc1cccc(-c2cnc(C)c(COc3cncc4nnc(-c5cnc(C)nc5)n34)c2)n1,UWIXICLUTHQDOK-UHFFFAOYSA-N,3,1,0.417,7,567,454.494,3.633,5,0.364,0.61,0.999,0.4670601740799123,0.19391234322527587,0.23433109451031459,0.10676958399013091,0.25051829895140837
EOS-3-39210,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)nc4)n23)o1,CDYCTVUFNJVXJA-UHFFFAOYSA-N,3,1,0.286,76,272,426.465,3.97,6,0.42,0.6,1.0,0.049825234733739975,0.07506339524364335,0.17258926735658967,0.16341409087793846,0.11522299705297787
EOS-3-39211,COc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)nn2C)cn1,PVVRQSBZFSSDKN-UHFFFAOYSA-N,3,1,0.357,51,694,467.852,2.757,5,0.347,0.66,1.0,0.3623038174216983,0.35845726817901447,0.24143307518333218,0.20191385100404358,0.2910270029470221
EOS-3-39212,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ncn3)n12,JPERNDOIJDUCTO-UHFFFAOYSA-N,3,1,0.418,44,488,468.279,4.668,5,0.346,0.76,0.981,0.7899047357960387,0.8014272496744569,0.864968131039682,0.9037848673840039,0.8400212459735454
EOS-3-39213,Cn1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1cccnc1,OOZFSQGNAPNSEG-UHFFFAOYSA-N,3,1,0.462,95,493,416.42,2.742,5,0.42,0.66,1.0,0.40925913234185457,0.3440048660132959,0.34344801590021246,0.3436793228702625,0.3600978342814063
EOS-3-39214,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc(C(F)F)s5)n4)n23)cc1F,DCEJMHDBWYVJHO-UHFFFAOYSA-N,3,1,0.35,74,768,482.451,3.808,5,0.406,0.71,1.0,0.25847268864368445,0.314783085463642,0.3923480227537523,0.337348365430745,0.3257380405729559
EOS-3-39215,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)nnc2F)c1,IWCZJJCYHXDAJQ-UHFFFAOYSA-N,3,1,0.511,19,207,465.851,4.196,5,0.371,0.64,0.999,0.8513381536563636,0.8390703173188953,0.784738880131588,0.8531971763415804,0.8320861318621069
EOS-3-39216,COc1ncc(C(F)F)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C)nc4)n23)c(C)c1,VGFCCSJNUCNNGQ-UHFFFAOYSA-N,3,1,0.345,82,336,459.46,4.873,5,0.37,0.73,1.0,0.5302069769035707,0.5090552395312179,0.7068141319991775,0.5315862517990542,0.569415650058255
EOS-3-39217,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(Cl)c1,LAUDLKLRMNJXCD-UHFFFAOYSA-N,3,1,0.576,35,626,466.332,4.515,5,0.343,0.73,1.0,0.8689688849290659,0.8132496059214585,0.6883267082448085,0.727434720032897,0.7744949797820575
EOS-3-39218,O=C(NCc1cnccn1)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cccnc4)n23)cc1,VHHRCSBARJHEDQ-UHFFFAOYSA-N,3,1,0.368,42,327,486.499,3.03,6,0.377,0.8,1.0,0.19306421766842574,0.06779007607429237,0.19205332054005894,0.1454663833870194,0.1495934994174491
EOS-3-39219,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)cn2)n1,QGJQJGKMAJKMEG-UHFFFAOYSA-N,3,1,0.33,70,392,433.435,3.669,6,0.41,0.57,1.0,0.11870331025974916,0.0977486121581797,0.28150058255088756,0.25777876773353436,0.1889328181755877
EOS-3-39220,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ncc(Cl)cn5)[nH]4)n23)cc1F,RIWICIRRZOLAOB-UHFFFAOYSA-N,3,1,0.31,50,407,474.851,2.621,6,0.408,0.62,0.861,0.22324549379754643,0.3725841272016997,0.13512610513330134,0.23408265369063122,0.2412595949557947
EOS-3-39221,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(F)c4)n23)cc1,QWXZWTHRMIGUHL-UHFFFAOYSA-N,3,1,0.468,0,646,405.408,3.553,5,0.551,0.85,1.0,0.36004214927009803,0.38680522239736825,0.6442498800630526,0.7221831951202796,0.5283201117126997
EOS-3-39222,Cc1csc(COc2cncc3nnc(-c4cc(-c5cc(C)nc(C)c5F)ncn4)n23)n1,PMEPBDJDXPOUHF-UHFFFAOYSA-N,3,1,0.424,31,238,448.487,3.743,5,0.4,0.63,0.999,0.41373106709615515,0.37259269412651636,0.16929100130217256,0.11620176821328217,0.26795413268453155
EOS-3-39223,Cc1cnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cn5)n34)c2)cn1,CWMVKPJCSXZWSK-UHFFFAOYSA-N,3,1,0.26,99,652,448.454,2.204,6,0.394,0.51,0.536,0.03377938455212117,0.01642279487355219,0.07358131725035981,0.06188746487560825,0.046417740387910356
EOS-3-39224,Clc1ccc(-c2cnc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)nc2)cn1,FFIMQUZEYCFEKM-UHFFFAOYSA-N,3,1,0.447,51,434,452.265,3.319,5,0.292,0.72,1.0,0.5865430744979782,0.732463504900281,0.42121855938592284,0.4794222465903639,0.5549118463436364
EOS-3-39225,CNCc1cc(COc2cncc3nnc(-c4cncc(-c5csc(C)n5)c4)n23)sn1,LOOBZBRPKXKWHQ-UHFFFAOYSA-N,3,1,0.517,2,879,450.553,3.373,5,0.403,0.63,1.0,0.24250394078541568,0.11370879309163183,0.07793331505722706,0.04662120485230622,0.12019181344664519
EOS-3-39226,FCc1csc(COc2cncc3nnc(-c4cncc(-c5cccnc5)c4)n23)n1,RZQARSGGLDOELR-UHFFFAOYSA-N,3,1,0.524,2,419,419.445,3.753,5,0.414,0.71,1.0,0.3985076416969365,0.504720375573984,0.2922863408950723,0.30260091837434033,0.37452881913508324
EOS-3-39227,Fc1ccc(-c2ncsc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,MEHKBRVNIZYHLC-UHFFFAOYSA-N,3,1,0.615,97,232,438.875,4.681,5,0.371,0.75,1.0,0.9264700842985402,0.9378555273798918,0.6883352751696251,0.7615396477280515,0.8285501336440272
EOS-3-39228,Fc1cnc(F)c(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)c1,RAGOUBOWZLLMEW-UHFFFAOYSA-N,3,1,0.512,2,419,436.447,4.21,5,0.371,0.66,1.0,0.7437804125830991,0.6899030224110754,0.7453481598245494,0.7433777671167158,0.7306023404838599
EOS-3-39229,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5n[nH]c(-c6ccnc(Cl)c6)n5)n34)nc2)c1,BZIVCGVVRTXIJO-UHFFFAOYSA-N,3,1,0.301,10,693,469.871,4.493,6,0.378,0.72,0.994,0.1930727845932424,0.377501542046467,0.6084058666301144,0.7330203550133644,0.478000137070797
EOS-3-39230,Fc1ccc(COc2cncc3nnc(-c4cncnc4-c4cc(Cl)ccn4)n23)c(F)c1F,SPBHCTXGPJDZJS-UHFFFAOYSA-N,3,1,0.473,59,577,469.814,4.293,5,0.354,0.7,1.0,0.8093516551298746,0.8322082105407443,0.9198307175656226,0.9317558769104243,0.8732866150366665
EOS-3-39231,Cc1cnnc(COc2cncc3nnc(-c4cc(F)cc(-c5nccn5C)c4)n23)c1,UTLNPIXZGWMGQG-UHFFFAOYSA-N,3,1,0.529,36,677,416.42,3.008,5,0.435,0.66,1.0,0.36690425604824894,0.39139709409910217,0.377835652114317,0.32766774038791036,0.3659511856623946
EOS-3-39232,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c(F)c2)cnn1,FHMRNKWDEGTDCJ-UHFFFAOYSA-N,3,1,0.455,13,145,450.836,5.281,5,0.37,0.78,1.0,0.7614796792543349,0.8988503186896032,0.9397745185388253,0.9451716811733261,0.8863190494140223
EOS-3-39233,Cc1cc(-c2nc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccc2F)ccn1,IHWFVAIMSRKUNI-UHFFFAOYSA-N,3,1,0.462,46,267,447.861,4.323,5,0.396,0.6,1.0,0.5895928997327119,0.6654273182098553,0.6556267562195874,0.6745596600644232,0.6463016585566445
EOS-3-39234,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccsc6)cn5)n34)nc2)ccn1,JQTMJCYTWAQDJI-UHFFFAOYSA-N,3,1,0.25,86,957,440.467,4.302,6,0.38,0.65,1.0,0.049833801658556644,0.17230655883763965,0.602409019258447,0.619739908162566,0.3610723219793023
EOS-3-39235,Fc1cccc(-c2ccccc2-c2nnc3cncc(Cc4ccnc(-c5nnns5)c4)n23)c1,DSTVANCZXKZBSO-UHFFFAOYSA-N,3,1,0.337,30,298,466.505,4.497,6,0.369,0.71,1.0,0.20971831951202796,0.3388647111232952,0.47480467411418,0.5955297786306627,0.40472937084504146
EOS-3-39236,Clc1cc(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)ccn1,DXJAZPQFFOWQEM-UHFFFAOYSA-N,3,1,0.488,1,666,414.856,4.481,5,0.394,0.8,1.0,0.7376893290384483,0.7372181481735316,0.7590638064560346,0.7715372489891029,0.7513771331642793
EOS-3-39237,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc(Cl)n2)cn1,PKBVPLLUMIROAN-UHFFFAOYSA-N,3,1,0.506,75,530,444.886,3.622,5,0.366,0.59,1.0,0.7010485915975602,0.7550202179425674,0.3550818998012473,0.34686621890206293,0.5395042320608594
EOS-3-39239,CCc1nn(CC)cc1-c1cncc2nnc(-c3cnc(-c4ccnc(F)c4)c(F)c3)n12,RROXTFMUIFJIHO-UHFFFAOYSA-N,3,1,0.283,50,974,432.438,3.972,5,0.391,0.65,1.0,0.11027345624014803,0.2280943732437804,0.3434565828250291,0.37585669248166675,0.26442027619765607
EOS-3-39240,Clc1cncc(-c2nnc(-c3cncc4nnc(-c5cccc(-c6cncs6)c5)n34)nn2)c1,PQIRSLKMWHZCOP-UHFFFAOYSA-N,3,1,0.338,8,474,470.909,3.877,6,0.377,0.63,1.0,0.16519601123980535,0.2790076074292372,0.2059831402919608,0.3596994722774313,0.25247155780960867
EOS-3-39241,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)c1F,SIUSGXZGCDXGEQ-UHFFFAOYSA-N,3,1,0.478,88,503,462.435,4.596,5,0.367,0.7,1.0,0.8577547803440477,0.7932115687752724,0.8941042423411693,0.8782725652799671,0.8558357891851142
EOS-3-39242,Fc1cccc(-c2cc(F)c(F)cc2-c2nnc3cncc(-c4cnn(-c5ccnnc5)c4)n23)c1,CCURODKPFIVVQY-UHFFFAOYSA-N,3,1,0.337,3,673,470.418,4.518,6,0.377,0.67,1.0,0.014786512233568638,0.2636471112329518,0.9218953464464396,0.9332636556781577,0.5333981563977794
EOS-3-39243,Fc1cnc(-c2nnco2)nc1COc1cncc2nnc(-c3ccc(-c4ccoc4)cn3)n12,LHJSOLWRXQJGOA-UHFFFAOYSA-N,3,1,0.378,80,119,457.385,3.004,6,0.364,0.61,1.0,0.5865516414227949,0.4419762182167089,0.15974744705640465,0.17982831882667397,0.3420259063806456
EOS-3-39244,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cnn2)c1,MOUYGYFTQAKAED-UHFFFAOYSA-N,3,1,0.456,55,875,434.822,3.41,5,0.387,0.55,1.0,0.7196388184497293,0.6849170721677746,0.6803337673908574,0.7088102254814612,0.6984249708724556
EOS-3-39245,Cc1nc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)ccc1-c1cncn1C,ONROIXSQFRRFMA-UHFFFAOYSA-N,3,1,0.438,31,690,444.474,3.359,5,0.396,0.58,0.97,0.5250325543143033,0.4198307175656226,0.3434651497498458,0.24567370296758276,0.38350053114933863
EOS-3-39246,CCn1cnc(-c2cc(-c3nnc4cncc(OCc5cc(OC)ccn5)n34)cnn2)c1,LORWTVWLEIHNBF-UHFFFAOYSA-N,3,1,0.424,92,185,429.444,2.447,5,0.384,0.6,0.911,0.19040847097525873,0.14487526557466932,0.1629000753889384,0.0815399904050442,0.14493095058597766
EOS-3-39247,Cn1ccc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)nc5)n34)cn2)n1,QUUTZMAOWQHYCW-UHFFFAOYSA-N,3,1,0.527,58,981,432.875,3.257,5,0.38,0.59,1.0,0.6179151531766157,0.7372267150983483,0.3698598451099993,0.359708039202248,0.5211774381468028
EOS-3-39248,FCc1cncc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c2)c1,CFIQJLYLMYFTMB-UHFFFAOYSA-N,3,1,0.283,32,191,461.464,4.237,6,0.375,0.62,0.411,0.16520457816462203,0.21762559111781235,0.5472380234391063,0.5479062435748064,0.3694936090740868
EOS-3-39249,Fc1ncccc1CCOc1cncc2nnc(-c3cc(-c4ncccn4)ccn3)n12,BAWGOMBKECMWQK-UHFFFAOYSA-N,3,1,0.467,18,949,414.404,2.799,5,0.391,0.74,1.0,0.7816719210472209,0.6127407305873483,0.31031971763415805,0.29338290727160576,0.4995288191350833
EOS-3-39250,c1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncn(C6CCOC6)n5)nc4)n23)cn1,OPNFWMGYKVJVIS-UHFFFAOYSA-N,3,1,0.413,65,658,456.47,1.818,6,0.357,0.62,0.806,0.20972688643684462,0.09775717908299637,0.008044342402851073,0.013047426495785074,0.08214395860461927
EOS-3-39251,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1-c1cccc(Cl)c1,DFGZZDIMVPPJJF-UHFFFAOYSA-N,3,1,0.38,9,625,464.92,4.969,6,0.366,0.75,1.0,0.08587485436227811,0.23806627373038175,0.6143256116784319,0.6775923514495237,0.40396477280515386
EOS-3-39252,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,FVDYAIBCKXDJKI-UHFFFAOYSA-N,3,1,0.55,24,912,438.875,4.681,5,0.396,0.69,1.0,0.8014443835240902,0.7417843191008155,0.8174302652319924,0.8305376602014941,0.797799157014598
EOS-3-39253,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(-c5cnsc5)ccc4Cl)n23)cc1,DHUZZQYKXBSAEW-UHFFFAOYSA-N,3,1,0.398,62,341,472.961,5.127,6,0.383,0.82,1.0,0.1846086628743746,0.2078250291275444,0.5200808717702693,0.6459289973271195,0.389610890274827
EOS-3-39254,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cnc(-c4nn[nH]n4)cn3)n12,VFRQUZMYSIMKON-UHFFFAOYSA-N,3,1,0.423,7,185,441.337,1.812,5,0.387,0.56,1.0,0.5277054348571036,0.5983825645946131,0.3327393598793777,0.29638989788225617,0.43880431430333766
EOS-3-39255,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nc2Cl)on1,FUBFAOWMFYBZIS-UHFFFAOYSA-N,3,1,0.463,18,393,433.859,3.82,5,0.372,0.66,1.0,0.5925227880200123,0.5790127475841272,0.3814080597628675,0.3728411349461997,0.48144618257830174
EOS-3-39256,Fc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)c1F,XMEHWEDVNHIVHE-UHFFFAOYSA-N,3,1,0.517,35,490,436.447,4.21,5,0.397,0.61,1.0,0.7437889795079159,0.6605955726132547,0.6856452607771915,0.694966074977726,0.6962489719690221
EOS-3-39257,Cc1cccc(OCc2cncc3nnc(-c4ccc(-c5cc(F)ncc5F)cc4F)n23)n1,FKTUJGRTDIIHIJ-UHFFFAOYSA-N,3,1,0.346,14,189,448.408,4.553,5,0.367,0.72,0.999,0.7527157151668837,0.8355750119936948,0.9033650880679871,0.8712819546295661,0.840734442464533
EOS-3-39258,CCn1nc(-c2ccsc2C)nc1-c1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,QMRUOBBZUWKFMZ-UHFFFAOYSA-N,3,1,0.297,99,754,468.55,3.902,6,0.378,0.67,0.79,0.0582293879788911,0.10413097114659722,0.01692824343773559,0.01572030703858543,0.04875222740045233
EOS-3-39259,Cc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)cc(-c2c[nH]c(=N)cn2)c1F,RIUHHASLJQOFRZ-UHFFFAOYSA-N,3,1,0.449,20,658,443.446,2.52,5,0.412,0.63,1.0,0.6773182098553903,0.4956394352683161,0.39235658967856896,0.3091888835583579,0.4686257795901583
EOS-3-39260,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)n2)n1,KQNVSJJGGHXBEH-UHFFFAOYSA-N,3,1,0.562,58,579,428.431,3.107,5,0.38,0.58,1.0,0.7257556027688301,0.7591494757042012,0.24144164210814886,0.21677746556096222,0.4857810465355356
EOS-3-39261,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)nc5)n34)cc2)nc1,KQIZIKWVNVJFOA-UHFFFAOYSA-N,3,1,0.351,69,57,451.49,5.178,6,0.367,0.76,1.0,0.3118788979507916,0.4287488862997738,0.7300818998012474,0.7409104927695155,0.552905044205332
EOS-3-39262,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)c2)cn1,MDEKSUJKLWHPLR-UHFFFAOYSA-N,3,1,0.323,42,174,430.475,4.316,6,0.414,0.6,1.0,0.08588342128709478,0.06008841066410801,0.6233294496607498,0.5984510999931465,0.34193809540127473
EOS-3-39263,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(F)n1,AZCURECYCUFYNW-UHFFFAOYSA-N,3,1,0.438,58,602,451.853,2.791,5,0.362,0.57,1.0,0.6554896854225207,0.6219758755397162,0.1789459255705572,0.21939037763004593,0.41895046604071
EOS-3-39264,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)s5)n34)nc2)ccn1,YFFCQYAQWZJCPI-UHFFFAOYSA-N,3,1,0.295,76,368,423.461,4.632,6,0.408,0.72,0.999,0.05294359536700706,0.11668151600301556,0.42505654170379,0.45487800699061065,0.2623899150161058
EOS-3-39265,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)nc5)n34)cc2)n1,NPQQCZLJTXGJNT-UHFFFAOYSA-N,3,1,0.338,32,57,423.461,4.632,6,0.408,0.69,1.0,0.11871187718456583,0.23297752038928107,0.40327941881982043,0.38544308135151806,0.28510297443629634
EOS-3-39266,Cc1cc(-c2nnc3cncc(-c4ncc(OC5CCC(F)(F)C5)cn4)n23)ccc1Cl,YZNPWKXSWKHIHG-UHFFFAOYSA-N,3,1,0.323,68,792,442.857,4.777,5,0.452,0.6,0.937,0.5778990473579604,0.7093756425193612,0.773207799328353,0.8599479130971147,0.7301076005756973
EOS-3-39267,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)o4)n23)cn1,IWFAIHZHUZUEDK-UHFFFAOYSA-N,3,1,0.357,63,169,407.365,1.339,5,0.54,0.8,0.995,0.1431533136865191,0.21271674319786169,0.013552875059968474,0.017485093550818998,0.09672700637379207
EOS-3-39268,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)c(F)c1,OWRVWKDVEMUOGP-UHFFFAOYSA-N,3,1,0.6,15,796,415.432,3.347,5,0.423,0.66,1.0,0.8169590843670756,0.7591580426290179,0.4434154615859091,0.407263038859571,0.6066989068603934
EOS-3-39269,Cc1cnc(-c2cnnc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)cn1,AZVRVYLMTWTFSZ-UHFFFAOYSA-N,3,1,0.327,7,873,417.82,3.187,5,0.434,0.62,1.0,0.501961825783017,0.477409019258447,0.23433966143513124,0.2547803440477006,0.36712271263107393
EOS-3-39270,COc1ncc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)cc1-c1ccnc(F)c1,DHNYQEVBKFOGDJ-UHFFFAOYSA-N,3,1,0.462,65,657,446.446,2.751,5,0.352,0.62,1.0,0.4229490781988897,0.372601261051333,0.37784421903913373,0.2547889109725173,0.3570458673154685
EOS-3-39271,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnccc5Cl)cc4C)n23)cc1,SCYUBUNDWDPBJZ-UHFFFAOYSA-N,3,1,0.53,43,230,442.91,5.098,5,0.377,0.72,1.0,0.9172349393461723,0.832216777465561,0.7949677883626893,0.7666284010691522,0.8277619765608937
EOS-3-39272,CCn1nc(-c2ccsc2)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,MFBVERWBKSBYNH-UHFFFAOYSA-N,3,1,0.303,30,945,450.531,4.86,6,0.373,0.7,1.0,0.0770166541018436,0.09472448769789596,0.09420190528407922,0.16615550681927216,0.10802463847577273
EOS-3-39273,OCc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(CO)cc5F)c4)n23)nc1,JBJOOPAWPUOFGY-UHFFFAOYSA-N,3,1,0.414,46,62,459.441,2.346,5,0.376,0.63,1.0,0.661854910561305,0.5456788431224727,0.6912308957576588,0.5803149201562607,0.6197698923994244
EOS-3-39274,Cc1cc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)ncn1,NOFHAXVWYGNHNW-UHFFFAOYSA-N,3,1,0.551,19,308,462.876,3.761,5,0.375,0.6,0.999,0.8250633952436434,0.7048094715920773,0.6318706737029676,0.6341494757042012,0.6989732540607223
EOS-3-39275,Clc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)cc1,CHSQZKVMCIFZMK-UHFFFAOYSA-N,3,1,0.313,32,543,469.921,4.482,6,0.372,0.69,0.999,0.12661058186553356,0.304674114179974,0.2815091494757042,0.4360050716194915,0.2871997292851758
EOS-3-39277,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nc4)n23)ccc1Cl,CCKKFSWLZFFIDL-UHFFFAOYSA-N,3,1,0.603,59,89,437.887,5.286,5,0.374,0.8,1.0,0.9535329997943938,0.9407511479679255,0.9022428209170036,0.9071516688369543,0.9259196593790693
EOS-3-39278,Cc1nc(-c2nc(Cc3cncc4nnc(-c5cccc(C)c5F)n34)ccc2F)n(C)n1,ZDAODDVEIQETLY-UHFFFAOYSA-N,3,1,0.33,85,81,432.438,3.468,5,0.432,0.52,1.0,0.20693406894661093,0.2533582345281338,0.23777499828661502,0.28149201562607085,0.24488982934685763
EOS-3-39279,Cc1ccc(-c2cc(-c3nnc4cncc(Cc5ccc(F)c(Cl)c5)n34)nc(C)n2)c(F)n1,DDRYESPIKQCLIS-UHFFFAOYSA-N,3,1,0.324,44,500,463.879,4.783,5,0.357,0.75,0.958,0.32171372764032624,0.42431978616955657,0.7709461311767528,0.7902988143376054,0.5768196148310603
EOS-3-39280,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cnn2)nn1,XEFMKBRMGXOOTK-UHFFFAOYSA-N,3,1,0.43,53,778,449.837,3.113,5,0.398,0.53,1.0,0.680265231992324,0.6606041395380714,0.4782828455897471,0.49779830032211636,0.5792376293605648
EOS-3-39281,FC(F)c1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)nc1,FDZPRLABMSSOFI-UHFFFAOYSA-N,3,1,0.422,46,395,438.423,3.616,5,0.396,0.59,0.996,0.49953738605989995,0.39614317044753616,0.5570985539030909,0.5011993694743335,0.4884946199712151
EOS-3-39282,COc1nc(-c2cnnn2C)cc(F)c1-c1nnc2cncc(OCCc3cccnc3)n12,GEZSNKAMQZBVPB-UHFFFAOYSA-N,3,1,0.5,65,456,447.434,2.146,5,0.37,0.57,0.998,0.42295764512370637,0.3247549859502433,0.11519087108491535,0.0885391679802618,0.23786066753478172
EOS-3-39283,Fc1cc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)ccn1,UAJYZBQKKXUBHJ-UHFFFAOYSA-N,3,1,0.347,30,20,435.422,4.709,6,0.37,0.71,0.997,0.30922315125762456,0.3822561853197176,0.6289407854156672,0.6658128298266054,0.4965582379549037
EOS-3-39284,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)cs1,FFBGRFKTPVNSBS-UHFFFAOYSA-N,3,1,0.43,31,493,452.931,3.627,5,0.363,0.65,1.0,0.3578061818929477,0.30973716674662466,0.14715406757590296,0.1634226578027551,0.2445300185045576
EOS-3-39285,Clc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3cnc(-c4ccccn4)nc3)n12,JUEWIBWAFYEDME-UHFFFAOYSA-N,3,1,0.313,42,693,469.921,4.482,6,0.372,0.72,1.0,0.13243609074086765,0.23298608731409773,0.39616887122198613,0.5012079363991502,0.31569974641902543
EOS-3-39287,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)cs5)n34)cn2)n1,GIYDMGYCCDFVJM-UHFFFAOYSA-N,3,1,0.441,28,363,468.502,4.247,6,0.353,0.8,1.0,0.40473579603865395,0.41529881433760535,0.1095367007059146,0.10677815091494756,0.25908736549928035
EOS-3-39288,FC(F)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncncc5Cl)cc4)n23)cn1,CLFCVBNUKPYELH-UHFFFAOYSA-N,3,1,0.365,14,81,449.852,4.825,5,0.382,0.69,0.503,0.5045918717017339,0.5273284901651704,0.8941128092659859,0.8880559934206017,0.7035222911383731
EOS-3-39289,Cc1nn(C)c(Cl)c1CCOc1cncc2nnc(-c3cc(-c4ccc(F)cn4)ncn3)n12,FFWKEFWXSYFPNX-UHFFFAOYSA-N,3,1,0.415,31,481,465.88,3.099,5,0.376,0.63,0.706,0.41150366664382154,0.4419847851415256,0.15646631485162085,0.21939894455486258,0.3073384277979576
EOS-3-39290,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncc(C)n6)cc5)n34)nc2)cc1,GICMVMGQFOLWQJ-UHFFFAOYSA-N,3,1,0.322,9,787,456.513,4.989,6,0.369,0.73,1.0,0.11322047837708177,0.1137173600164485,0.5403930505105887,0.5113340415324515,0.3196662326091426
EOS-3-39291,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)nc2)s1,KPJPDIDSMBWZOD-UHFFFAOYSA-N,3,1,0.416,46,980,454.878,3.78,5,0.395,0.61,1.0,0.6039339318758139,0.5842899732711946,0.3397642382290453,0.3979593585086697,0.48148687547118085
EOS-3-39292,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)c1F,ZNRBFTAMPFRQMI-UHFFFAOYSA-N,3,1,0.43,46,223,435.369,3.64,5,0.389,0.57,1.0,0.834744020286478,0.7093842094441779,0.8119131656500582,0.8014015489000068,0.7893607360701802
EOS-3-39293,Cc1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5nn(C)cc(F)c5=O)cn4)n23)cc1,CCCGQHLGTUNWKU-UHFFFAOYSA-N,3,1,0.457,89,408,468.452,2.101,5,0.369,0.59,1.0,0.5302155438283873,0.47281714755671306,0.3586714412994312,0.29048728668357204,0.4130478548420259
EOS-3-39294,Fc1cnc(F)c(-n2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n2)c1,IEHOJOJVBBMRHD-UHFFFAOYSA-N,3,1,0.361,46,915,441.789,2.673,5,0.383,0.57,1.0,0.3296467000205606,0.4333064903022411,0.3739034336234665,0.4764495236789802,0.40332653690631215
EOS-3-39295,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccn2)nc1,KJDCNLGSSXLLOL-UHFFFAOYSA-N,3,1,0.53,73,263,466.839,3.591,5,0.374,0.59,1.0,0.9315502707148242,0.8757967240079501,0.6348433966143513,0.6716811733260228,0.7784678911657871
EOS-3-39296,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,HQYGZTJIMZXNOK-UHFFFAOYSA-N,3,1,0.446,6,297,461.489,3.623,6,0.37,0.6,1.0,0.42543348639572337,0.20783359605236104,0.39983551504352,0.3182869577136591,0.3378473888013159
EOS-3-39297,FC(F)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccccc5)nn4)n23)cc1,RNPXZZGIVUPRNN-UHFFFAOYSA-N,3,1,0.398,62,319,414.419,4.777,5,0.414,0.83,1.0,0.3738605989993832,0.4243283530943732,0.8664416421081489,0.8697570420121993,0.6335969090535262
EOS-3-39298,Cn1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)c1Cl,IUPPSOBZQOKVKG-UHFFFAOYSA-N,3,1,0.582,15,889,433.903,3.805,5,0.407,0.59,1.0,0.7497172914810499,0.737235282023165,0.6174268384620657,0.5739068603933932,0.6695715680899184
EOS-3-39299,c1ccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5cncs5)n34)nn2)cc1,FOCOHYKZAAZGSU-UHFFFAOYSA-N,3,1,0.314,10,705,423.465,3.558,6,0.427,0.58,0.905,0.003915084641217189,0.029024741278870538,0.15343362346652045,0.22238880131587965,0.10219056267562196
EOS-3-39300,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(C)c4-c4ccc(F)cc4)n23)c1,DQHBMSOMYPECNF-UHFFFAOYSA-N,3,1,0.302,64,27,462.492,4.763,6,0.375,0.72,1.0,0.12386916592419984,0.20304468507984375,0.5200894386950861,0.5803234870810774,0.3568316941950518
EOS-3-39301,Cc1cnc(-c2cc(CF)nc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cn1,FPUGOPPKHTVWRU-UHFFFAOYSA-N,3,1,0.36,46,565,462.876,4.049,5,0.348,0.66,1.0,0.5481032828455897,0.5409756013981222,0.5060825166198342,0.47645809060379685,0.5179048728668357
EOS-3-39302,Fc1ccc(F)c(-n2cnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)c1,OJBQBCRFZOFVTH-UHFFFAOYSA-N,3,1,0.605,34,612,471.374,3.831,5,0.333,0.74,1.0,0.6233979850592831,0.7889452402165719,0.8954235487629361,0.8867880885477349,0.7986387156466316
EOS-3-39303,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(CF)nc4Cl)n23)cn1,NGXMWNNHEFBIQB-UHFFFAOYSA-N,3,1,0.485,65,510,465.88,3.121,5,0.36,0.6,1.0,0.6435302583784525,0.6079860873140978,0.11221814817353162,0.14292200671646907,0.37666412514563774
EOS-3-39304,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)c(F)c4)n23)ncn1,WHYHNHXBMMHNSJ-UHFFFAOYSA-N,3,1,0.473,27,463,452.4,3.638,5,0.388,0.57,1.0,0.5533376739085738,0.5790213145089439,0.8320197381947776,0.7433863340415324,0.6769412651634569
EOS-3-39305,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCc4ncn(-c5ccccc5)n4)n23)c1,WLQOUNXHRBCYJO-UHFFFAOYSA-N,3,1,0.386,28,807,465.452,3.547,6,0.367,0.65,1.0,0.3040744294428072,0.2842505654170379,0.3434737166746625,0.37586525940648347,0.3269159927352478
EOS-3-39306,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(C(F)(F)F)nn5)c4)n23)nn1,FQFCPKIMXSUKCU-UHFFFAOYSA-N,3,1,0.411,53,52,466.387,2.735,5,0.381,0.55,1.0,0.5865602083476116,0.5047289424988006,0.5060910835446508,0.33089747104379413,0.4820694263587143
EOS-3-39307,O=C(NC1(F)COC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)cc1,HDJAWQZFBPNZFM-UHFFFAOYSA-N,3,1,0.377,14,357,482.479,2.66,6,0.367,0.69,1.0,0.21786546501267906,0.17677849359194023,0.4715406757590295,0.37924062778425055,0.31135631553697485
EOS-3-39309,COc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5F)c4)n23)ccc1F,XBWAJOBKTBRRDO-UHFFFAOYSA-N,3,1,0.607,88,222,459.456,4.762,5,0.349,0.75,1.0,0.9131742169830718,0.8287214721403605,0.915255979713522,0.8796604071002673,0.8842030189843054
EOS-3-39310,Cc1nc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cn4)n23)c(Cl)n1,ILSGMRRPVYPERP-UHFFFAOYSA-N,3,1,0.444,65,262,453.825,2.749,5,0.353,0.64,1.0,0.6739856761017066,0.5842985401960112,0.12111918305804949,0.15829963676238779,0.3844257590295388
EOS-3-39311,Cc1cnnc(-c2cnc(-c3nnc4cncc(OCCc5cnccc5F)n34)cc2F)n1,ONMTYVMCEMKRCD-UHFFFAOYSA-N,3,1,0.438,65,466,447.409,2.641,5,0.387,0.51,0.997,0.7163919539442122,0.6264221095195669,0.3215937906928929,0.34042389143992874,0.5012079363991502
EOS-3-39312,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)nc2)nn1,PKNWXXMTRZILEG-UHFFFAOYSA-N,3,1,0.4,6,887,479.439,2.608,6,0.348,0.69,0.956,0.6524569940374203,0.6458775957782195,0.2163576862449455,0.20192241792886026,0.4291536734973614
EOS-3-39313,COc1ccc(F)cc1COc1cncc2nnc(-c3cc(-c4cc(F)ncc4F)ccn3)n12,VQDOEHTYGWPELM-UHFFFAOYSA-N,3,1,0.398,59,153,464.407,4.253,5,0.347,0.72,0.995,0.7787848673840039,0.67500514015489,0.9198392844904393,0.8755397162634501,0.8122922520731959
EOS-3-39314,Fc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,FZGWIKNGQDKFRR-UHFFFAOYSA-N,3,1,0.638,11,159,412.428,4.009,5,0.419,0.78,1.0,0.664921869645672,0.6079946542389144,0.6556353231444041,0.6630542800356384,0.6479015317661572
EOS-3-39315,Cn1cnnc1-c1ccc(-c2nnc3cncc(Br)n23)c(Cl)c1F,QVXMWBLQJBRBCI-UHFFFAOYSA-N,3,1,0.607,68,861,408.622,3.142,4,0.509,0.75,1.0,0.22901103419916385,0.4058409293400041,0.5704629566170927,0.7030703858542937,0.47709632650263856
EOS-3-39316,Cc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(C#N)n6C)cc5)n34)cn2)cc1F,AFVKCENGODGYNY-UHFFFAOYSA-N,3,1,0.295,3,150,475.491,4.364,6,0.375,0.7,1.0,0.05823795490370776,0.24849222123226647,0.7886710986224384,0.7302018367486807,0.45640077787677336
EOS-3-39317,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c2)s1,FJWJRMMXIWNACM-UHFFFAOYSA-N,3,1,0.566,89,51,451.462,4.53,5,0.375,0.68,1.0,0.7614882461791516,0.5891816873415119,0.6965937906928928,0.6311938866424508,0.6696144027140017
EOS-3-39318,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ccn2)c1,QXUGNGXGMHPBHX-UHFFFAOYSA-N,3,1,0.675,84,360,464.863,4.801,5,0.359,0.72,1.0,0.9722174628195462,0.9446919333835926,0.9237286683572065,0.9309334521280241,0.9428928791720923
EOS-3-39319,Cc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c(F)c1,IWGCQMOYBRHGSW-UHFFFAOYSA-N,3,1,0.576,57,660,443.457,5.061,5,0.367,0.75,1.0,0.934754300596258,0.9288088547734905,0.8785210060996504,0.8741176067438832,0.9040504420533205
EOS-3-39320,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)cs1,BCOFHXQQLLSLMJ-UHFFFAOYSA-N,3,1,0.451,4,354,436.888,3.641,5,0.384,0.64,1.0,0.47207182509766293,0.689911589335892,0.2486121581796998,0.257787334658351,0.41709572681790147
EOS-3-39321,COc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cc(C)ncn4)cc3F)n12,RKZKTARTBBLVJH-UHFFFAOYSA-N,3,1,0.36,96,46,446.873,5.025,5,0.385,0.69,1.0,0.5224453430196696,0.660612706462888,0.8812110204920841,0.8582944966074978,0.7306408916455348
EOS-3-39322,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5F)nn4)n23)cn1,AJZADKZJOCWYON-UHFFFAOYSA-N,3,1,0.5,4,617,414.404,3.065,5,0.404,0.72,1.0,0.6406260708656021,0.6558580631896375,0.39617743814680284,0.3404324583647454,0.508273507641697
EOS-3-39323,Fc1ccc(-c2nnc3cncc(-c4cncnc4-c4cccc(C(F)F)n4)n23)c(F)c1,LAJBBIXICGHHLQ-UHFFFAOYSA-N,3,1,0.371,45,315,437.36,4.526,5,0.385,0.63,1.0,0.3963916112672195,0.7140617503940785,0.9313360975944075,0.9287745870742239,0.7426410115824824
EOS-3-39324,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ncccn4)cnn3)n12,FQUWVDGBUFTHPT-UHFFFAOYSA-N,3,1,0.462,65,65,415.392,2.194,5,0.411,0.67,1.0,0.6892605030498252,0.5790298814337606,0.23075011993694744,0.24301795627441575,0.43551461517373724
EOS-3-39325,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)cn1,WOPBFVNQZGJUCT-UHFFFAOYSA-N,3,1,0.538,16,716,435.9,4.246,5,0.407,0.63,1.0,0.719647385374546,0.75048831471455,0.5060996504694675,0.5078987046809678,0.6210335138098828
EOS-3-39327,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nn2C)cc1F,ZEKPSYMIHUHCGA-UHFFFAOYSA-N,3,1,0.616,19,266,462.916,4.914,5,0.358,0.77,1.0,0.5277140017819204,0.5736155849496265,0.7867863751627716,0.807715372489891,0.6739578335960523
EOS-3-39328,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)nc1F,DILYPGGMIXVKLR-UHFFFAOYSA-N,3,1,0.551,88,429,464.863,4.801,5,0.336,0.79,1.0,0.9416592419984923,0.9407597148927421,0.8882615996162018,0.8989873894866699,0.9174169864985265
EOS-3-39329,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cnn1,MTDGGCOARQQSNU-UHFFFAOYSA-N,3,1,0.495,37,778,466.839,3.591,5,0.35,0.65,1.0,0.7759063806456035,0.8554588444931808,0.5303440477006374,0.6429305736412857,0.7011599616201768
EOS-3-39330,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(C)n4)n23)cc1,GMTMXCLOJYNLTG-UHFFFAOYSA-N,3,1,0.605,90,636,406.421,2.615,4,0.529,0.83,1.0,0.6832379549037078,0.37260982797614967,0.35509046672606404,0.20786786375162772,0.40470152833938733
EOS-3-39331,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c1,PHSNFTHFIZXWSB-UHFFFAOYSA-N,3,1,0.494,2,422,418.848,3.214,5,0.404,0.66,1.0,0.5196011239805359,0.4466280583921596,0.5571071208279076,0.5213145089438695,0.5111627030361181
EOS-3-39332,CC(c1cnc(-c2cccnc2)nn1)c1cncc2nnc(-c3ccc(C(=O)N(C)C)nc3)n12,MODQFDZGVCILNK-UHFFFAOYSA-N,3,1,0.416,85,290,452.482,2.287,5,0.394,0.56,1.0,0.0815142896305942,0.04525049688163937,0.049756699335206635,0.013055993420601741,0.047394369817010486
EOS-3-39333,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(C(F)F)n4)n23)ccn1,UCHJNHQXHUVVDX-UHFFFAOYSA-N,3,1,0.5,27,420,452.4,3.638,5,0.388,0.6,1.0,0.5377201699677884,0.5736241518744432,0.6639452402165719,0.5448307175656226,0.5800300699061065
EOS-3-39334,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc(Cl)n2)n1C,UVUFUMSLBSSOBZ-UHFFFAOYSA-N,3,1,0.605,16,97,466.332,4.781,5,0.347,0.76,1.0,0.8689774518538825,0.8524261531080803,0.6586080460557878,0.6920276197656089,0.7680098176958399
EOS-3-39335,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cnc2Cl)nc1,KELGNVXLMHTMQY-UHFFFAOYSA-N,3,1,0.506,65,263,466.839,3.591,5,0.35,0.64,1.0,0.9005123021040368,0.9502347337399767,0.6084144335549311,0.6401034884517853,0.7748162394626825
EOS-3-39336,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1Cl,AQCBVUKCXYREOL-UHFFFAOYSA-N,3,1,0.517,16,610,467.32,4.351,5,0.343,0.73,1.0,0.45767082448084434,0.5642605030498252,0.4681738743060791,0.554545610307724,0.5111627030361181
EOS-3-39337,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cccnn5)n34)cc(Cl)c2F)n1,HVIYWJBCDWFSTC-UHFFFAOYSA-N,3,1,0.517,36,208,449.837,3.113,5,0.398,0.54,1.0,0.6861592762661914,0.7848502501542046,0.39236515660338567,0.429674114179974,0.5732621993009389
EOS-3-39338,Fc1cc(F)cc(COc2cncc3nnc(-c4cc(-c5cccc(F)n5)ccn4)n23)c1,NNOVSXMMHAQPMP-UHFFFAOYSA-N,3,1,0.448,59,16,434.381,4.245,5,0.385,0.61,1.0,0.6802737989171407,0.6750137070797066,0.9066290864231376,0.9061065040093208,0.7920057741073264
EOS-3-39339,Cn1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)c2)n1,BMNVYVBMHDYOGL-UHFFFAOYSA-N,3,1,0.483,16,55,419.395,3.444,5,0.406,0.64,1.0,0.634800561990268,0.5228308546364198,0.7430008224247824,0.6835463641971078,0.6460446508121445
EOS-3-39340,Cc1nc(COc2cncc3nnc(-c4cc(-c5cncs5)ccn4)n23)ccc1F,WSPHNZPVOBHJFE-UHFFFAOYSA-N,3,1,0.455,46,160,419.445,3.731,5,0.429,0.68,1.0,0.4820094578849976,0.4287574532245905,0.4250651086286067,0.3695000342676993,0.42633301350147357
EOS-3-39341,Cc1ccc(-c2nnc3cncc(-c4ccc(Cl)c(OCc5ccccc5C)n4)n23)cn1,NLZLHJKTYXQXOL-UHFFFAOYSA-N,3,1,0.376,62,586,442.91,5.098,5,0.377,0.73,1.0,0.4943115619217326,0.7093927763689946,0.6856538277020081,0.6252827085189501,0.6286602186279213
EOS-3-39342,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cn(C)c1=O,KPSZJEBGVSXORP-UHFFFAOYSA-N,3,1,0.415,2,564,466.864,2.657,5,0.392,0.59,1.0,0.4254420533205401,0.2996538962374066,0.5504848879446234,0.5414896168871222,0.45426761359742307
EOS-3-39343,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5cccnc5Cl)n34)ccn2)cn1,PMDJSCLUZUIRLC-UHFFFAOYSA-N,3,1,0.448,75,99,416.832,3.792,5,0.407,0.73,1.0,0.6465201151394695,0.6029744362963471,0.4175604824892057,0.40105201836748683,0.5170267630731272
EOS-3-39344,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)s5)n34)c2)nc1,RKMHSUNMWHMISN-UHFFFAOYSA-N,3,1,0.523,1,31,421.432,4.772,5,0.409,0.74,1.0,0.7816804879720376,0.7372438489479817,0.8465149749845795,0.8442361729833459,0.8024188712219861
EOS-3-39345,Cc1cc(Oc2cncc3nnc(-c4cc(F)cc(-c5ccnc(CF)c5)c4)n23)ccn1,DFGXPKZGGKZWRP-UHFFFAOYSA-N,3,1,0.472,13,439,430.418,4.958,5,0.392,0.69,1.0,0.6234065519840998,0.6750222740045233,0.8546192858611473,0.8036118155027071,0.7391649818381194
EOS-3-39346,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)c(F)cc1F,ZRWGGXXHZVOCRG-UHFFFAOYSA-N,3,1,0.533,37,79,452.4,3.021,5,0.366,0.59,1.0,0.6150795010622987,0.6080032211637311,0.7170344733054622,0.7030789527791104,0.6607990370776506
EOS-3-39347,O=C(NCC1CCCN1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccsc5)no4)n23)cc1,NNLMKBDWNJOTQX-UHFFFAOYSA-N,3,1,0.295,74,295,472.534,3.052,6,0.387,0.66,1.0,0.13499760126105134,0.015026386128435336,0.0162343225275855,0.03138921252827085,0.04941188061133576
EOS-3-39348,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)c(F)c1,MLBCGIKNIRWIFZ-UHFFFAOYSA-N,3,1,0.506,73,980,471.83,4.237,5,0.381,0.68,1.0,0.8754626139401,0.8615670618874649,0.8871050647659516,0.8935559591529024,0.8794226749366048
EOS-3-39349,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6ncccn6)n5)n34)cc2)n1,CUCJUZHSVVGCAV-UHFFFAOYSA-N,3,1,0.418,56,59,464.449,2.976,6,0.359,0.63,1.0,0.5095264203961346,0.3822647522445343,0.07358988417517648,0.05183846206565691,0.2543048797203756
EOS-3-39350,Cc1csc(COc2cncc3nnc(-c4cc(-c5ncc(F)c(C)n5)ncn4)n23)n1,BCQSFYASYHEIKY-UHFFFAOYSA-N,3,1,0.418,7,395,435.448,2.83,5,0.411,0.6,0.96,0.45083441847714345,0.41530738126242206,0.047880542800356383,0.03767733534370502,0.23792491947090672
EOS-3-39351,Clc1ncccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)ncn1,WHWLKQOHZNZNIC-UHFFFAOYSA-N,3,1,0.329,38,608,463.892,4.421,6,0.353,0.68,1.0,0.24515112055376603,0.3291498183811939,0.5268915769995203,0.567490233705709,0.41717068741004726
EOS-3-39353,C#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)c(F)n5)cc4F)n23)cn1,DMRNRNKLWSGHCC-UHFFFAOYSA-N,3,1,0.383,96,46,428.377,4.314,5,0.316,0.77,0.998,0.4006065382770201,0.6312795558906175,0.9530018504557604,0.9495579466794599,0.7336114728257144
EOS-3-39354,Cc1cc(C)nc(CCc2cncc3nnc(-c4cc(-c5csc(C)n5)ccc4F)n23)n1,LQLYPAVSCPPZFM-UHFFFAOYSA-N,3,1,0.352,14,684,445.527,4.554,5,0.395,0.72,0.999,0.34635220341306283,0.4378555273798917,0.17895449249537387,0.17679562744157357,0.2849894626824755
EOS-3-39355,COc1cc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,CRYFAZNBSWQDLS-UHFFFAOYSA-N,3,1,0.528,35,467,477.887,4.066,5,0.346,0.73,1.0,0.8792663285587006,0.8056250428346241,0.6528082379549037,0.6013552875059969,0.7347637242135563
EOS-3-39356,Fc1cncc(CCOc2cncc3nnc(-c4csc(-c5ncccn5)c4)n23)n1,KGRPNOQZLJGIIZ-UHFFFAOYSA-N,3,1,0.448,65,279,420.433,2.86,5,0.413,0.63,1.0,0.5119765608937016,0.46842231512576243,0.13214481529710095,0.14547495031183608,0.31450466040710023
EOS-3-39357,Cc1cc(COc2cncc3nnc(-c4cncc(-c5cccnc5F)c4)n23)nn1C,QLJMUVMKZRAANI-UHFFFAOYSA-N,3,1,0.461,92,36,416.42,3.008,5,0.406,0.71,1.0,0.37145329312589953,0.3914056610239188,0.37391200054828316,0.3060362552258241,0.3607018024809814
EOS-3-39358,Fc1cccc(OCc2cncc3nnc(-c4cc(F)cc(-c5cccc(F)c5)c4)n23)c1,ZEUKLPKBPCFXPC-UHFFFAOYSA-N,3,1,0.446,57,480,432.405,5.455,5,0.37,0.84,1.0,0.6406346377904187,0.8758052909327668,0.9766037283256802,0.9832944966074978,0.8690845384140908
EOS-3-39359,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)n4)n23)ccc1-c1cnnn1C,RAVPDTPGCLIFBT-UHFFFAOYSA-N,3,1,0.473,36,940,466.864,3.362,5,0.351,0.65,1.0,0.462219861558495,0.5642690699746419,0.577033787951477,0.497806867246933,0.5253323966828868
EOS-3-39360,O=C(NC1CCCC1F)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)cc1,OWBHFOVCENJZDM-UHFFFAOYSA-N,3,1,0.32,29,302,480.507,3.931,6,0.406,0.68,1.0,0.2232540607223631,0.1077033787951477,0.1954972243163594,0.27242820917003635,0.19972071825097665
EOS-3-39361,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccns5)cn4)n23)ccc1Cl,ALJXZNXHRJAMKR-UHFFFAOYSA-N,3,1,0.6,97,67,450.911,4.551,5,0.375,0.71,1.0,0.6618634774861216,0.7848588170790213,0.6720324172435063,0.6107275032554315,0.6823705537660201
EOS-3-39362,Fc1ccc(-n2nnc(COCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cc1,HSWBYOUIVDMJQW-UHFFFAOYSA-N,3,1,0.394,85,476,453.388,2.956,5,0.37,0.59,0.194,0.21787403193749572,0.3584658351038311,0.46108046055787816,0.4886059899938318,0.3815065793982592
EOS-3-39363,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)cnn5)n34)ccn2)nn1,LBYJFJIRWPZLNC-UHFFFAOYSA-N,3,1,0.478,53,587,416.38,1.855,5,0.418,0.62,1.0,0.4919642245219656,0.49564800219313276,0.1321533822219176,0.13163936673291754,0.3128512439174834
EOS-3-39364,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)nc1C,URIXKBUEMYXEQL-UHFFFAOYSA-N,3,1,0.42,31,908,445.462,2.929,5,0.376,0.58,1.0,0.47725481461174696,0.3584744020286478,0.12366355972859983,0.11837776711671578,0.2694426358714276
EOS-3-39365,FC(F)c1cccc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)n1,UJBRFXKBELNDJB-UHFFFAOYSA-N,3,1,0.524,27,43,436.447,4.826,5,0.38,0.71,1.0,0.5481118497704064,0.5505020217942568,0.7997224316359399,0.7167945994105955,0.6537827256527997
EOS-3-39366,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)cnn2)s1,YJPYFQHHPUCWPT-UHFFFAOYSA-N,3,1,0.469,53,778,435.448,2.564,5,0.396,0.57,0.945,0.5277225687067371,0.5364522650949215,0.049765266260023304,0.07029161812075937,0.2960579295456103
EOS-3-39367,Cc1nc(CCOc2cncc3nnc(-c4ccnc(-c5ccnc(F)c5)c4)n23)ccc1F,UDJFWVFTDSIBPF-UHFFFAOYSA-N,3,1,0.489,75,278,445.433,3.851,5,0.367,0.63,1.0,0.8298266054417106,0.7094013432938112,0.6500753889383867,0.5984596669179632,0.6969407511479679
EOS-3-39368,Cc1cc(Cl)nnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,GGXFSKTYHKNWQB-UHFFFAOYSA-N,3,1,0.529,4,32,465.304,4.233,5,0.38,0.64,1.0,0.8347525872112946,0.930213830443424,0.47481324103899664,0.5739154273182099,0.7034237715029812
EOS-3-39369,c1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)cn1,IJCGXIDKWAJIGD-UHFFFAOYSA-N,3,1,0.437,40,621,465.502,3.741,6,0.362,0.63,1.0,0.5224539099444864,0.4907134534987321,0.33274792680419435,0.29049585360838875,0.4091027859639504
EOS-3-39370,Cc1nnc(-c2ncc[nH]2)cc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,KXEKSOAJEMOWAR-UHFFFAOYSA-N,3,1,0.289,70,723,450.441,3.543,6,0.405,0.57,0.473,0.1986412857240765,0.2947022136933726,0.36986841203481596,0.3792491947090672,0.3106152765403331
EOS-3-39371,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc(Cl)n2)cn1,XSJYROBYVCHYBS-UHFFFAOYSA-N,3,1,0.612,59,232,468.279,4.668,5,0.346,0.72,1.0,0.962836680145295,0.97444486327188,0.8371084915358783,0.8782811322047838,0.9131677917894593
EOS-3-39372,CCc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC)nc4F)n23)ccc1F,HQYXUSYDJZNRDT-UHFFFAOYSA-N,3,1,0.388,66,9,408.412,2.977,4,0.513,0.74,1.0,0.30408299636762387,0.3097457336714413,0.4990747721197999,0.4105099033650881,0.3808533513809883
EOS-3-39373,CCn1ncnc1-c1cccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)c1,SAJOCTDOBYLLSH-UHFFFAOYSA-N,3,1,0.466,13,374,417.86,4.515,5,0.418,0.76,1.0,0.3692515934480159,0.47741758618326363,0.39984408196833665,0.48571893633061475,0.4330580494825577
EOS-3-39374,Cc1cc(-c2ccc(F)nn2)cc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)n1,FEYBQVFOIWTDAO-UHFFFAOYSA-N,3,1,0.42,31,88,460.448,3.555,5,0.379,0.58,0.986,0.6376447810294017,0.5180847782879857,0.47829141251456375,0.40727160578438765,0.5103231444040848
EOS-3-39375,Cc1nc(F)cc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,YAJJZUPRJLUWSH-UHFFFAOYSA-N,3,1,0.494,36,320,417.408,2.403,5,0.401,0.65,1.0,0.5351843602220547,0.45075731615379344,0.18550818998012472,0.14053183469261873,0.3279954252621479
EOS-3-39376,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1Cl,AVFRLUNRVKWYQH-UHFFFAOYSA-N,3,1,0.512,73,526,470.295,4.612,5,0.373,0.73,1.0,0.7347080392022479,0.7504968816393668,0.7886796655472551,0.8325680213830443,0.7766131519429785
EOS-3-39377,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)s1,FYSUMZIPDGEAPW-UHFFFAOYSA-N,3,1,0.585,87,307,415.482,3.635,5,0.418,0.75,1.0,0.5119851278185182,0.3775101089712837,0.20956411486532794,0.1688369542868892,0.3169740764855048
EOS-3-39378,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cscn1,ZGPAYUTYXGRBME-UHFFFAOYSA-N,3,1,0.452,49,501,449.471,3.474,5,0.372,0.58,1.0,0.6649304365704887,0.527337057089987,0.32520046604071,0.2517390857377836,0.4423017613597423
EOS-3-39379,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)sn1,LAHZJIMYZLRDLH-UHFFFAOYSA-N,3,1,0.5,7,69,440.439,3.56,5,0.398,0.62,1.0,0.5610136385443081,0.4860787471729148,0.49549379754643275,0.3949181001987527,0.48437607086560214
EOS-3-39380,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnc5F)c4)n23)cn1,PZHLASSUVOIKNO-UHFFFAOYSA-N,3,1,0.483,97,430,413.416,3.67,5,0.406,0.8,1.0,0.7983859913645398,0.7505054485641834,0.6318792406277842,0.5448392844904393,0.6814024912617367
EOS-3-39381,Cc1cnc(Cc2cncc3nnc(-c4c(F)cc(-c5ccccn5)cc4F)n23)nn1,FJPBZBUNAMAAFC-UHFFFAOYSA-N,3,1,0.355,85,81,416.395,3.216,5,0.444,0.59,1.0,0.3807998081008841,0.4105870056884381,0.3778527859639504,0.46109759440751147,0.407584298540196
EOS-3-39382,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cc(C)nn5C)cn4)n23)nc1,JZFXQVJIPPYWSA-UHFFFAOYSA-N,3,1,0.396,31,168,413.445,2.573,5,0.432,0.71,1.0,0.27700294702213696,0.12001404975669934,0.08490679185799466,0.043896922760605854,0.1314551778493592
EOS-3-39383,Cc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4nc5cccnc5[nH]4)nc3)n12,CMDRAXXYMWNDHE-UHFFFAOYSA-N,3,1,0.235,32,339,472.472,4.15,7,0.4,0.63,0.986,0.11590192584469879,0.13042286340895073,0.30319203618669044,0.302609485299157,0.21303157768487424
EOS-3-39384,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)cn2)ccn1,QQYLJVZKJAHGHM-UHFFFAOYSA-N,3,1,0.306,3,150,469.871,4.289,6,0.355,0.7,0.998,0.03378795147693784,0.19853848262627646,0.7144215612363786,0.7512336371736001,0.4244954081282982
EOS-3-39385,Clc1ccnc(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)n1,PVMLOMHRRGTCHT-UHFFFAOYSA-N,3,1,0.461,97,666,421.873,3.937,5,0.397,0.68,1.0,0.5507504626139401,0.6264306764443835,0.3103282845589747,0.3563155369748475,0.4609562401480365
EOS-3-39386,CCc1ccc(-c2nnc3cncc(COc4cccnc4)n23)cc1-c1cc2ccccc2nn1,JJPLIZIXHZKGTA-UHFFFAOYSA-N,3,1,0.355,77,18,459.513,4.938,6,0.348,0.78,1.0,0.33450414639161125,0.2380748406551984,0.5704715235419094,0.5245785072990199,0.4169072544719347
EOS-3-39387,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)nn1,LRUHVWKXQNHMQC-UHFFFAOYSA-N,3,1,0.453,87,227,417.408,2.137,5,0.387,0.69,1.0,0.4115122335686382,0.3726183949009664,0.21636625316976218,0.20193098485367691,0.3006069666232609
EOS-3-39388,Cn1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)cn5)n34)nn2)n1,FXNYROBTIXUBQW-UHFFFAOYSA-N,3,1,0.321,10,934,466.896,3.759,6,0.386,0.59,0.999,0.06181036255225824,0.18515694606264135,0.28151771640052087,0.4072801727092043,0.2339412994311562
EOS-3-39389,Cc1cc(F)cnc1-c1cc(-c2nnc3cncc(OCc4cccnc4F)n23)ccc1F,XQKKSLQXPBKRND-UHFFFAOYSA-N,3,1,0.523,59,89,448.408,4.553,5,0.367,0.68,1.0,0.9640103488451786,0.9035021588650538,0.9022513878418204,0.8796689740250839,0.9123582173942841
EOS-3-39390,Cc1ncccc1-c1ccnc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,UIUOKJDIVJFGSU-UHFFFAOYSA-N,3,1,0.43,59,153,448.408,4.553,5,0.367,0.68,1.0,0.7759149475704201,0.7140703173188953,0.9297426495785073,0.9002638612843533,0.8299979439380439
EOS-3-39391,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccccc6)n5)n34)cc2)cc1,KLSDOMNTRRFAID-UHFFFAOYSA-N,3,1,0.426,93,810,427.471,4.977,6,0.395,0.74,1.0,0.18752998423685835,0.19854704955109315,0.5799551093139607,0.6687512850387225,0.40869585703515865
EOS-3-39393,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4nc(-c5ccccc5)ns4)n23)nn1,FRZXWUAWXZFMOD-UHFFFAOYSA-N,3,1,0.333,10,77,450.491,3.532,6,0.397,0.59,1.0,0.06351518059077514,0.11083887327804812,0.026351860736070182,0.04527619765608937,0.0614955280652457
EOS-3-39394,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cnn2)c1,ZTRYXAHUZYBLDB-UHFFFAOYSA-N,3,1,0.562,19,732,448.408,4.287,5,0.386,0.62,1.0,0.8850147351106846,0.9378640943047084,0.912317524501405,0.9215269686793228,0.9141808306490302
EOS-3-39395,On1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c(Cl)c1,RTVFLTUEYJMGTP-UHFFFAOYSA-N,3,1,0.333,10,179,468.868,3.46,6,0.386,0.64,1.0,0.27987286683572066,0.41983928449043934,0.3288242752381605,0.42968268110479063,0.3645547769172778
EOS-3-39396,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccc2F)n1,PUMUDYYTENFANQ-UHFFFAOYSA-N,3,1,0.522,37,589,462.876,3.761,5,0.375,0.59,1.0,0.892202385031869,0.9288174216983072,0.46448152971009526,0.5213230758686862,0.7017061030772394
EOS-3-39397,CCn1nc(-c2nc(C)nn2C)cc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,QNDTZMHBNNDNHU-UHFFFAOYSA-N,3,1,0.288,98,890,466.513,2.574,6,0.38,0.59,1.0,0.06181892947707491,0.019601123980535946,0.0114968131039682,0.007890137756151052,0.025201751079432528
EOS-3-39398,Fc1cc(-c2nccs2)cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c1,MSUHEAQJJPQLLW-UHFFFAOYSA-N,3,1,0.545,11,490,452.902,4.724,5,0.371,0.69,1.0,0.6980844356109931,0.7720598314029196,0.6556438900692207,0.7143615927626619,0.7100374374614488
EOS-3-39399,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cnc(C(F)(F)F)cn5)ncn4)n23)cn1,XAYPOXYQCXEFNW-UHFFFAOYSA-N,3,1,0.432,7,48,466.387,2.735,5,0.381,0.56,1.0,0.577907614282777,0.5790384483585772,0.6472140360496196,0.41692653005277225,0.5552716571859366
EOS-3-39400,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cn5)n34)cn2)c1,INNBGRIMGGOTMW-UHFFFAOYSA-N,3,1,0.367,32,170,462.904,5.026,6,0.362,0.75,1.0,0.19864985264889315,0.34868240696319647,0.745356726749366,0.7993026523199233,0.5229979096703448
EOS-3-39401,COc1cc(-c2ncc(C)nn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,QQNKSRJQGGZMGF-UHFFFAOYSA-N,3,1,0.462,36,224,461.873,2.983,5,0.372,0.6,1.0,0.5779161812075937,0.5409841683229388,0.1989068603933932,0.15830820368720444,0.3690288534027826
EOS-3-39402,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)cn1,VRGFGMUBOZQODM-UHFFFAOYSA-N,3,1,0.547,97,55,413.416,3.67,5,0.406,0.75,1.0,0.7406363511753821,0.5891902542663285,0.6318878075526009,0.5479148104996231,0.6274073058734837
EOS-3-39403,Fc1cncc(COc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)c1F,VILWYCMUTKGXHS-UHFFFAOYSA-N,3,1,0.396,46,564,418.367,2.896,5,0.429,0.59,1.0,0.6465286820642862,0.48148687547118085,0.727614625454047,0.70040607223631,0.6390090638064561
EOS-3-39404,Cc1noc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)n1,UVHQQAZSWYWSCR-UHFFFAOYSA-N,3,1,0.474,58,579,434.847,3.215,5,0.371,0.62,1.0,0.537728736892605,0.6947262010828593,0.1293177301076006,0.15554108697142074,0.3793284387636214
EOS-3-39405,CCn1cc(-c2cnc(Oc3cncc4nnc(-c5ccccc5F)n34)c(F)c2)cn1,IIYZFPIMJPABPL-UHFFFAOYSA-N,3,1,0.448,13,412,419.395,4.14,5,0.426,0.7,1.0,0.4182715372489891,0.50017990542115,0.6586166129806045,0.6197484750873826,0.5492041326845316
EOS-3-39406,Cc1cnc(-c2cnc(Oc3cncc4nnc(-c5cncnc5-c5ccccc5)n34)cn2)cn1,XSBFWGHQKTZCFE-UHFFFAOYSA-N,3,1,0.363,94,515,460.461,3.596,6,0.376,0.62,1.0,0.4027568364060037,0.21272531012267837,0.1920618874648756,0.17155266945377287,0.24477417586183264
EOS-3-39407,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)c(F)n1,UGIUTZYHZGKMKT-UHFFFAOYSA-N,3,1,0.558,4,43,447.861,4.323,5,0.37,0.66,1.0,0.5896014666575287,0.6899201562607087,0.7119200191899115,0.7004146391611267,0.6729640703173189
EOS-3-39408,Cn1cc(-c2cncc3nnc(-c4ccccc4Cl)n23)c(-c2cccc(Cl)c2)n1,FPXGGVJQUDJAQD-UHFFFAOYSA-N,3,1,0.443,45,46,421.291,5.166,5,0.404,0.82,1.0,0.08589198821191145,0.3486909738880132,0.8137293537111918,0.9106555410869714,0.539741964224522
EOS-3-39409,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4cncnc4-c4ccc(F)cn4)n23)nn1,RVDVGQNGQXCHSD-UHFFFAOYSA-N,3,1,0.337,6,892,467.428,2.765,6,0.372,0.61,0.953,0.4894541155506819,0.4814954423959975,0.14716263450071962,0.1528939072030704,0.3177515249126173
EOS-3-39410,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1n[nH]c(C)n1,BHQGKAIUXRROAA-UHFFFAOYSA-N,3,1,0.522,46,717,464.892,4.214,5,0.401,0.68,0.935,0.6205451990953328,0.6509320814200534,0.3887584812555685,0.42329175519155643,0.5208818792406278
EOS-3-39411,Fc1ccc(-c2nnc3cncc(Oc4ncc(-c5nnco5)cc4F)n23)c(F)c1,VQLIGDRDAKBCBA-UHFFFAOYSA-N,3,1,0.471,13,706,411.303,3.446,5,0.443,0.78,1.0,0.7164005208690288,0.7591666095538345,0.754797477897334,0.7563480912891508,0.7466781749023371
EOS-3-39412,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3ccnc(C)c3F)n12,XUWSNACVXGJDQS-UHFFFAOYSA-N,3,1,0.464,65,804,460.473,3.059,5,0.365,0.6,0.996,0.5667877458707422,0.41059557261325474,0.2095726817901446,0.11621033513809882,0.32579158385306006
EOS-3-39413,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ncn2)cn1,VKUIXLRFGFDOKT-UHFFFAOYSA-N,3,1,0.404,44,971,450.289,5.051,5,0.378,0.73,1.0,0.5697947364813927,0.6312881228154342,0.7709546981015695,0.809985607566308,0.6955057912411762
EOS-3-39414,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,LHVNEKXYRQUWLU-UHFFFAOYSA-N,3,1,0.474,2,265,453.89,4.119,5,0.382,0.66,1.0,0.7257641696936468,0.7417928860256322,0.5864145706257282,0.6252912754437667,0.6698157254471935
EOS-3-39415,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnc2Cl)cs1,LCSIFPQRKRKWNS-UHFFFAOYSA-N,3,1,0.511,87,76,449.927,4.288,5,0.357,0.72,1.0,0.6618720444109383,0.7463333561784662,0.3625094236172983,0.36950860119251594,0.5350558563498047
EOS-3-39416,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5cccnc5)n4)n23)cc1,IKJGZKYUQPQTIW-UHFFFAOYSA-N,3,1,0.337,74,333,409.413,2.065,5,0.478,0.73,1.0,0.16521314508943868,0.037951476937838395,0.1414227948735522,0.10678671783976423,0.11284353368514838
EOS-3-39417,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(F)cn5)n34)nc2F)s1,UNTFQPYSARIYBF-UHFFFAOYSA-N,3,1,0.398,31,237,453.438,2.703,5,0.358,0.63,0.879,0.5377373038174217,0.5273456240148037,0.08979850592831197,0.1067952847645809,0.3154191796312796
EOS-3-39418,Cc1ccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cccnc5C)c4)n23)nn1,QIKVUXVWWOTGSK-UHFFFAOYSA-N,3,1,0.535,4,534,444.886,3.888,5,0.376,0.61,1.0,0.44835857720512645,0.5843071071208279,0.3361746967308615,0.2995339592899733,0.41709358508669725
EOS-3-39419,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2)nc1,MZIRULLPRVHESR-UHFFFAOYSA-N,3,1,0.506,54,411,415.392,2.194,5,0.411,0.63,0.999,0.7133592625591118,0.5891988211911452,0.15344219039133714,0.17156123637858955,0.4068903776300459
EOS-3-39420,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(C(F)F)nn5)n34)c2)cs1,QIYIESPVZOWBPA-UHFFFAOYSA-N,3,1,0.5,4,506,451.462,4.53,5,0.375,0.69,1.0,0.49687307244191625,0.5273541909396203,0.6024175861832637,0.48861455691864847,0.5288148516208622
EOS-3-39421,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)o1,AGXHXLODCRFPRW-UHFFFAOYSA-N,3,1,0.523,59,439,437.381,4.751,5,0.395,0.66,1.0,0.9337091357686245,0.8322253443903777,0.9451031457747927,0.92557055719279,0.9091520457816462
EOS-3-39422,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)nc1Cl,IHHKDEAAIQDKFQ-UHFFFAOYSA-N,3,1,0.456,97,379,439.863,4.076,5,0.381,0.71,1.0,0.6494157357275032,0.6849256390925913,0.44342402851072577,0.4916129806044822,0.5673445959838257
EOS-3-39423,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)n(C)n1,OPXKVZIXBQPEKT-UHFFFAOYSA-N,3,1,0.289,70,191,452.507,3.476,6,0.4,0.56,1.0,0.07508909601809334,0.09776574600781303,0.07130251524912617,0.07235624700157632,0.07912840106915221
EOS-3-39424,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)c(F)n1,AJDSJPGUJKCVFB-UHFFFAOYSA-N,3,1,0.46,73,980,438.373,2.978,5,0.389,0.55,1.0,0.7469073401411829,0.6407888424371188,0.6143341786032486,0.5894215612363786,0.6478629806044821
EOS-3-39425,Cc1cnc(-c2c(F)ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2C)nc1,VQEPXPGEZFHSCP-UHFFFAOYSA-N,3,1,0.566,35,393,441.47,4.021,5,0.393,0.58,1.0,0.7983945582893565,0.755028784867384,0.45049174148447674,0.39492666712356933,0.5997104379411966
EOS-3-39426,Clc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4cscn4)c3)n12,CIIGMOXIEQXCNT-UHFFFAOYSA-N,3,1,0.517,2,904,435.9,3.98,5,0.398,0.62,1.0,0.6376533479542184,0.6899287231855253,0.5061082173942841,0.5448478514152559,0.594634534987321
EOS-3-39427,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cn(C)cn5)c(F)c4)n23)ccn1,FVKANPBDFIEHMU-UHFFFAOYSA-N,3,1,0.518,16,55,415.432,3.613,5,0.436,0.73,1.0,0.731898087862381,0.5983911315194298,0.6775666506750737,0.5674988006305257,0.6438386676718526
EOS-3-39428,Clc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5cnccn5)c4)n23)nc1,PCBIVYSPCCRQGZ-UHFFFAOYSA-N,3,1,0.489,65,324,431.847,2.708,5,0.4,0.52,1.0,0.6150880679871154,0.6654358851346721,0.24145020903296552,0.2933914741964225,0.45384140908779386
EOS-3-39429,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4c(Cl)cc(Cl)cc4Cl)n23)nc1,HTPHONLELJOWBF-UHFFFAOYSA-N,3,1,0.402,13,724,473.711,4.734,5,0.372,0.78,1.0,0.48201802480981426,0.5136042766088684,0.6639538071413885,0.7788619697073539,0.6096095195668563
EOS-3-39430,Cc1csc(COc2cncc3nnc(-c4cc(-c5cnc(C#N)c(F)c5)ncn4)n23)n1,XXTOSXKEQQCFME-UHFFFAOYSA-N,3,1,0.436,46,238,445.443,2.998,5,0.401,0.63,0.998,0.517048180385169,0.46843088205057914,0.2591494757042012,0.23122986772668083,0.36896460146665755
EOS-3-39431,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc1Cl,SDZYJPVPHIAAPW-UHFFFAOYSA-N,3,1,0.494,27,610,469.843,3.547,5,0.371,0.61,1.0,0.4995459529847166,0.6703190322801728,0.6024261531080803,0.5578610102117744,0.582538037146186
EOS-3-39432,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)cn4)n23)c(F)c1,JNRIBMQUPWYHEE-UHFFFAOYSA-N,3,1,0.31,98,714,466.484,3.671,6,0.382,0.61,1.0,0.19577136591049277,0.2583184839969844,0.31419196765129187,0.30919745048317454,0.2693698170104859
EOS-3-39433,Fc1ccc(-c2nnc3cncc(OCc4csc(-c5ncccn5)n4)n23)c(Cl)c1,AMLLBSLDJCFWBM-UHFFFAOYSA-N,3,1,0.536,4,10,439.863,4.076,5,0.407,0.67,0.999,0.6406432047152354,0.8493163593996299,0.38511753820848466,0.4916215475292989,0.5916746624631621
EOS-3-39434,COc1cc(-c2nnc(C)s2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,DIWZAWWKPXQFNI-UHFFFAOYSA-N,3,1,0.283,52,523,484.545,3.581,6,0.388,0.81,0.992,0.14569769035706942,0.07841306284696045,0.05356041395380714,0.050621958741690086,0.08207328147488177
EOS-3-39435,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)cn1,JIFDDIFNMHUOJB-UHFFFAOYSA-N,3,1,0.6,1,521,412.428,4.275,5,0.429,0.8,1.0,0.8443218422315126,0.7805496538962374,0.7886882324720719,0.7433949009663491,0.7892386573915428
EOS-3-39436,Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cn1,GAFPTECNQCUHTE-UHFFFAOYSA-N,3,1,0.438,13,995,417.379,4.022,5,0.436,0.67,1.0,0.6649390034953053,0.6606212733877047,0.7824857789048043,0.7461877184565828,0.7135584435610993
EOS-3-39437,N#Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1,URYUCBBFTHCSLX-UHFFFAOYSA-N,3,1,0.483,59,884,459.391,4.116,5,0.365,0.67,1.0,0.8867281200740182,0.9035107257898705,0.9656808991844288,0.9515197724624769,0.9268598793776986
EOS-3-39438,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)n1,DZYRJMWJEFAMCC-UHFFFAOYSA-N,3,1,0.411,58,132,448.849,3.452,5,0.364,0.56,1.0,0.6067010485915976,0.612749297512165,0.3923737235282023,0.46746281954629565,0.5198217222945651
EOS-3-39439,Cc1cc(C(=O)c2cc(Cc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)ncn2)ccn1,PFKFRBGPHCFXIP-UHFFFAOYSA-N,3,1,0.402,85,290,476.422,3.52,5,0.354,0.7,1.0,0.37624220409841685,0.4728257144815297,0.7732163662531698,0.5863546021520115,0.5521597217462819
EOS-3-39440,COc1ncncc1-n1cnc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cn4)n23)c1,YXVZNVCEWIEONV-UHFFFAOYSA-N,3,1,0.296,94,892,467.428,2.434,6,0.372,0.63,0.995,0.35781474881776437,0.32476355287506,0.20958124871496128,0.19358680008224247,0.27143658762250705
EOS-3-39441,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(CO)n5)ncn4)n23)cn1,FQPDQMZMGFOAIC-UHFFFAOYSA-N,3,1,0.304,82,974,440.427,0.952,5,0.403,0.53,1.0,0.22620964978411348,0.11084744020286479,0.065065793982592,0.033599479130971145,0.10893059077513535
EOS-3-39442,COc1cc(-c2nnc3cncc(OCc4cccc(-c5ccncc5)c4)n23)ccc1Cl,ACEPEIUFWYVBGW-UHFFFAOYSA-N,3,1,0.561,1,326,443.894,5.094,5,0.363,0.78,1.0,0.910072990199438,0.8918768418888355,0.8999811527654034,0.8679665547255158,0.8924743848947981
EOS-3-39443,Fc1c(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)ccnc1Cl,MZQWOPBJUVOZIK-UHFFFAOYSA-N,3,1,0.462,18,324,448.849,3.452,5,0.364,0.59,1.0,0.7164090877938455,0.7094099102186279,0.5770423548762936,0.5894301281611952,0.6480728702624905
EOS-3-39444,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccccn6)n5)n34)cn2)cc1,VLASTMYEVYYKJX-UHFFFAOYSA-N,3,1,0.385,32,126,452.481,4.849,6,0.376,0.68,1.0,0.19577993283530945,0.2947107806181893,0.7017596463573436,0.7143701596874786,0.47665512987458025
EOS-3-39445,Cn1nc(CO)cc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)cn1,CQUPOMABMGASQM-UHFFFAOYSA-N,3,1,0.571,34,32,465.876,3.451,5,0.409,0.65,0.999,0.7288568295524639,0.7848673840038379,0.6720409841683229,0.6745682269892399,0.7150833561784662
EOS-3-39446,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cc1,YPBCXVBZKXCGCR-UHFFFAOYSA-N,3,1,0.346,9,124,409.409,3.097,5,0.417,0.87,1.0,0.24251250771023233,0.0977743129326297,0.45756802138304437,0.34044102528956205,0.2845739668288671
EOS-3-39447,c1cc(-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)c(-c2ccsc2)cn1,POZZMEBJMIKCJG-UHFFFAOYSA-N,3,1,0.289,70,723,424.449,4.027,6,0.417,0.6,0.991,0.1595675416352546,0.10771194571996436,0.34348228359947913,0.3758738263313001,0.24665889932149954
EOS-3-39448,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(C)c5F)n34)c2)o1,FBAUUXKGRFGJCM-UHFFFAOYSA-N,3,1,0.506,43,655,433.418,4.92,5,0.392,0.75,1.0,0.8850233020355014,0.704818038516894,0.89998971969022,0.832576588307861,0.8306019121376191
EOS-3-39449,Cn1nccc1-c1ccc(Cl)c(CCc2cncc3nnc(-c4cc(F)ccc4F)n23)c1,HLSDQPWZAFDPKF-UHFFFAOYSA-N,3,1,0.38,45,358,450.88,4.909,5,0.382,0.72,1.0,0.357823315742581,0.5736327187992598,0.904478788294154,0.9255791241176068,0.6903784867384004
EOS-3-39450,Cc1nc(F)c(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)n1C,FSNROFDTUFZBRC-UHFFFAOYSA-N,3,1,0.568,27,412,467.411,4.428,5,0.365,0.74,1.0,0.7843962031389212,0.8785467068741005,0.805445137413474,0.7004232060859434,0.7922028133781098
EOS-3-39451,Cn1cncc1-c1cc(F)c(F)c(COc2cncc3nnc(-c4ccnn4C)n23)n1,GUMBUOAPAAVDIF-UHFFFAOYSA-N,3,1,0.383,31,105,423.387,2.178,5,0.427,0.56,1.0,0.3217222945651429,0.27384175176478653,0.3179956822698924,0.27863922966212046,0.2980497395654856
EOS-3-39452,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cncnn5)n4)n23)cc1,OLPRXQBKGCQBTN-UHFFFAOYSA-N,3,1,0.289,8,890,424.392,0.414,6,0.386,0.56,1.0,0.014795079158385306,0.018084778287985746,0.007641696936467685,0.00789870468096772,0.012105064765951613
EOS-3-39453,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)nc5)n34)nc2)no1,KZLULOGGQSCPMQ-UHFFFAOYSA-N,3,1,0.325,32,191,450.437,4.413,6,0.364,0.69,0.998,0.2798814337605373,0.31479165238845863,0.5061167843191008,0.4794308135151806,0.3950551709958193
EOS-3-39454,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccs5)cn4)n23)cn1,QOCMHMRXKVYGAT-UHFFFAOYSA-N,3,1,0.495,6,34,466.53,4.289,6,0.361,0.69,1.0,0.45767939140566105,0.3868137893221849,0.30672160921115754,0.25779590158316773,0.3522526728805428
EOS-3-39455,COc1cccc(Oc2cncc3nnc(-c4ccc(-c5ccnc(CF)c5)nc4)n23)c1F,NLBJSXPUDTZMGZ-UHFFFAOYSA-N,3,1,0.427,13,374,446.417,4.658,5,0.375,0.68,0.999,0.7469159070659996,0.7140788842437119,0.8190836817216092,0.7030875197039271,0.7457914981838119
EOS-3-39456,c1ccc(-c2ncncc2-c2nnc3cncc(OCc4cnnc(-c5nccnn5)c4)n23)cc1,FVQIQRJMMUSEHJ-UHFFFAOYSA-N,3,1,0.417,6,342,461.449,2.469,6,0.361,0.6,0.986,0.4368446302515249,0.24850078815708312,0.11519943800973202,0.13585429374271812,0.23409978754026456
EOS-3-39457,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)ncn2)cn1,KMVHKDZISXBXLX-UHFFFAOYSA-N,3,1,0.463,44,481,446.421,3.246,5,0.392,0.55,0.992,0.6494243026523199,0.5548283188266739,0.5540058940442739,0.5148464807072853,0.5682762490576383
EOS-3-39458,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ncn4)n23)cc1,MYFXZVKMMVFBFW-UHFFFAOYSA-N,3,1,0.489,89,354,414.404,3.065,5,0.432,0.65,1.0,0.7042440545541773,0.7418014529504489,0.4359194023713248,0.3792577616338839,0.5653056678774587
EOS-3-39459,Cc1cnc(-c2cc(-c3nnc4cncc(Cc5ccc(F)c(C#N)n5)n34)ccc2Cl)cn1,CBYOMEKIFDRAIG-UHFFFAOYSA-N,3,1,0.343,85,81,456.872,4.207,5,0.399,0.59,1.0,0.4342317181824412,0.5892073881159618,0.743009389349599,0.7615482146528683,0.6319991775752176
EOS-3-39460,Cc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)n[nH]4)n23)c(Cl)n1,MVNRLOKUAPWDGM-UHFFFAOYSA-N,3,1,0.427,58,963,450.865,3.694,5,0.393,0.61,0.999,0.6179237201014324,0.5688695086011926,0.48192378863683094,0.514855047632102,0.5458930162428896
EOS-3-39461,CCOc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cn1,VHXGJFHXUGXKAT-UHFFFAOYSA-N,3,1,0.333,82,478,414.404,3.243,5,0.432,0.7,1.0,0.5277311356315537,0.5843156740456446,0.5404016174354054,0.47943938043999723,0.5329719518881502
EOS-3-39462,Cc1nc(-c2ccc(F)c(Cl)c2)cc(-c2nnc3cncc(OCCc4cccs4)n23)n1,KJIMVVFYUQMEFG-UHFFFAOYSA-N,3,1,0.516,44,531,466.929,5.032,5,0.349,0.81,0.995,0.8905147008429855,0.82489205674731,0.6055102460420807,0.6542646151737372,0.7437954047015284
EOS-3-39463,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cc[nH]n5)cs4)n23)cn1,RCJPNRYORYJZFQ-UHFFFAOYSA-N,3,1,0.416,6,843,456.495,3.012,6,0.405,0.61,1.0,0.34636077033787954,0.34869954081282983,0.07359845109999315,0.057484065519841,0.2065357069426359
EOS-3-39464,Cc1cnc(COc2cncc3nnc(-c4ccc(C)c(-c5ccn(C)n5)c4)n23)cn1,WIXSDGHGLSFHIR-UHFFFAOYSA-N,3,1,0.483,92,677,412.457,3.178,5,0.437,0.75,1.0,0.2988914399287232,0.217634158042629,0.2815262833253375,0.16884552121170585,0.24172435062709888
EOS-3-39465,N#CCCn1cncc1-c1cc(-c2nnc3cncc(Oc4ncccc4Cl)n23)ccc1F,BWJKHLHDEGQJEF-UHFFFAOYSA-N,3,1,0.366,26,125,460.86,4.548,5,0.366,0.7,1.0,0.6554982523473374,0.6703275992049894,0.7092128709478446,0.7357360701802481,0.6926936981701048
EOS-3-39466,Cc1cccc(CCOc2cncc3nnc(-c4cc(C#N)cc(-c5ncc(F)cn5)c4)n23)n1,GZORKIODAXWWLT-UHFFFAOYSA-N,3,1,0.5,15,632,452.453,3.584,5,0.384,0.57,1.0,0.8941213761908026,0.7633387019395518,0.547246590363923,0.4886231238434651,0.6733324480844357
EOS-3-39467,Cn1ccnc1-c1cnnc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c1,CFLKULSQLQLXOG-UHFFFAOYSA-N,3,1,0.528,53,466,416.42,2.742,5,0.42,0.65,1.0,0.49197279144678224,0.4153159481872387,0.3288328421629772,0.34368788979507914,0.39495236789801935
EOS-3-39468,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c1,OZKOQMIJBQDLBS-UHFFFAOYSA-N,3,1,0.5,87,184,416.42,2.742,5,0.42,0.65,1.0,0.6093139606606812,0.4907220204235488,0.32520903296552667,0.3026180522239737,0.43196576656843255
EOS-3-39470,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)nc4)n23)c(F)c1,UXEACMAFVJKLBU-UHFFFAOYSA-N,3,1,0.538,16,863,414.404,3.065,5,0.432,0.68,1.0,0.8941299431156192,0.8322339113151943,0.33275649372901106,0.30920601740799125,0.5920815913919539
EOS-3-39471,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(Cc5cccc(F)c5)n34)c2)cn1,QHKAOZAVSQQSRX-UHFFFAOYSA-N,3,1,0.396,14,358,414.419,4.426,5,0.435,0.74,1.0,0.33912171886779524,0.39141422794873554,0.8482283599479131,0.8564354739222808,0.6087999451716812
EOS-3-39472,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cnn1,XYMCSSUALBLQFR-UHFFFAOYSA-N,3,1,0.457,65,65,451.853,2.791,5,0.387,0.54,0.997,0.6234151189089164,0.5843242409704612,0.3550990336508807,0.3979679254334864,0.4902015797409362
EOS-3-39473,Fc1ccccc1-c1cncc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,CJMCKEXBOFHQSQ-UHFFFAOYSA-N,3,1,0.542,2,846,413.416,3.404,5,0.421,0.74,1.0,0.677326776780207,0.7140874511685286,0.5472551572887396,0.5769138510040436,0.6288958090603797
EOS-3-39474,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccn2)c1,YPVRFJGZYHQRKV-UHFFFAOYSA-N,3,1,0.536,75,265,465.851,4.196,5,0.371,0.65,0.999,0.9005208690288534,0.8584744020286478,0.8190922486464258,0.8424713864711123,0.8551397265437598
EOS-3-39475,Cc1nnc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)c(Cl)n1,OOODBSZFQZWNTQ-UHFFFAOYSA-N,3,1,0.5,15,320,462.876,3.761,5,0.351,0.63,1.0,0.9005294359536701,0.9235230621616065,0.31800424919470904,0.42645295044890685,0.6421274244397231
EOS-3-39476,Cc1cccc(-c2cc(-c3nnc4cncc(COc5cccc(F)c5)n34)ccn2)n1,ZPHNTJREJNXGOR-UHFFFAOYSA-N,3,1,0.435,14,18,412.428,4.275,5,0.429,0.83,1.0,0.45309608662874373,0.5409927352477555,0.680342334315674,0.6429391405661024,0.5793425741895689
EOS-3-39477,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccncc5)ccc4F)n23)cn1,KEYNLHIWUZEIDX-UHFFFAOYSA-N,3,1,0.628,97,91,412.428,4.275,5,0.429,0.83,1.0,0.7956874100472894,0.689937290110342,0.8137379206360085,0.7563566582139675,0.7639298197519019
EOS-3-39479,Fc1ccc(-c2nnccc2-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cc1F,AABSJAAVKJQVTH-UHFFFAOYSA-N,3,1,0.303,32,20,464.439,4.651,6,0.375,0.67,1.0,0.29890000685353985,0.42433692001918993,0.7732249331779865,0.8077239394147077,0.576046449866356
EOS-3-39480,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cn2)ncn1,JMTMCKFGBSTTTB-UHFFFAOYSA-N,3,1,0.5,65,981,416.47,3.03,5,0.416,0.71,1.0,0.5806147625248441,0.47742615310808034,0.12932629703241724,0.10043862655061339,0.32195145980398876
EOS-3-39481,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)s5)ncn4)n23)cc1,IXOLDOYGZBPMCY-UHFFFAOYSA-N,3,1,0.524,89,463,416.47,3.296,5,0.43,0.68,1.0,0.4508429854019601,0.4507658830786101,0.09421047220889589,0.08318483996984442,0.2697510451648276
EOS-3-39482,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)nc(C)n2)cn1,AYLOXLVEOZHQBN-UHFFFAOYSA-N,3,1,0.506,46,500,416.47,3.296,5,0.43,0.68,1.0,0.35532177369611406,0.1985556164759098,0.1293348639572339,0.08674868069357823,0.192490233705709
EOS-3-39483,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)ccn2)s1,JELVTFVSHRESOL-UHFFFAOYSA-N,3,1,0.5,55,241,442.917,3.702,5,0.405,0.62,1.0,0.4820265917346309,0.5410013021725721,0.0630954012747584,0.09444177917894593,0.2951412685902269
EOS-3-39484,Cc1cnc(-c2nc(COc3cncc4nnc(-c5cnc(C)cn5)n34)cs2)cn1,SUISMSSUDRDXJP-UHFFFAOYSA-N,3,1,0.429,7,828,417.458,2.691,5,0.425,0.68,1.0,0.2852614625454047,0.2380834075800151,0.0297529298882873,0.017005345761085602,0.14252578644369815
EOS-3-39485,Fc1ccc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1-c1ccccc1,UHEQFQAGUGFRTA-UHFFFAOYSA-N,3,1,0.537,57,962,433.393,4.85,5,0.397,0.68,1.0,0.9739137139332465,0.935037009115208,0.9648670413268453,0.9664861901171955,0.9600759886231238
EOS-3-39486,COc1cc(F)ccc1-c1cccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,HMDWTVBBTTZWKT-UHFFFAOYSA-N,3,1,0.495,97,744,462.872,4.628,5,0.363,0.7,1.0,0.7787934343088205,0.8132581728462751,0.8263827016654102,0.7948821191145227,0.803329106983757
EOS-3-39487,N#Cc1ccc(F)c(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)c1,LZYWRHHUDRPMSO-UHFFFAOYSA-N,3,1,0.534,97,183,457.856,4.491,5,0.383,0.64,1.0,0.7729336577342197,0.8210026728805428,0.9094904393119047,0.9182458364745391,0.8554181516003015
EOS-3-39488,COc1cc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)cn4)n23)ccc1C(F)F,WSEQQCZUJPCCAY-UHFFFAOYSA-N,3,1,0.452,92,399,464.436,3.507,5,0.36,0.63,1.0,0.5250411212391201,0.4641474196422452,0.7377921321362484,0.537882941539305,0.5662159036392297
EOS-3-39489,Fc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)c1,IPRYHFIUDOJFKT-UHFFFAOYSA-N,3,1,0.5,65,858,414.404,2.799,5,0.418,0.69,1.0,0.7527242820917004,0.7186193543965458,0.4715492426838462,0.4517767802069769,0.5986674148447673
EOS-3-39490,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnccn5)n4)n23)cc1,YWAOZKCXNHIXBU-UHFFFAOYSA-N,3,1,0.427,89,943,481.476,1.746,6,0.365,0.76,1.0,0.4531046535535604,0.13384106641080118,0.10954526763073127,0.07030018504557604,0.1916977931601672
EOS-3-39491,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1,JESNAHKTXCIPPE-UHFFFAOYSA-N,3,1,0.595,37,265,449.877,4.001,5,0.389,0.6,1.0,0.8374083339044617,0.7418100198752656,0.75023130697005,0.7357446371050648,0.7662985744637105
EOS-3-39492,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)no2)cn1,BPFDRJWYXQVUNE-UHFFFAOYSA-N,3,1,0.426,59,577,454.368,3.33,5,0.389,0.62,1.0,0.5507590295387568,0.4378640943047084,0.8859913645397848,0.8462151326159961,0.6802074052498115
EOS-3-39493,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5cccc(F)n5)ncn4)n23)n1,JFVKTFUXFDMMNQ-UHFFFAOYSA-N,3,1,0.398,31,481,429.419,2.502,5,0.375,0.59,0.939,0.6123552189705983,0.45540915632924406,0.1471712014255363,0.13381536563635119,0.33718773559043247
EOS-3-39494,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncs5)n4)n23)cn1,VAIWVOXTUVLWEX-UHFFFAOYSA-N,3,1,0.453,80,34,467.518,3.684,6,0.365,0.66,1.0,0.38530601055445135,0.3487081077376465,0.17896305942019053,0.14054040161743542,0.26337939483243095
EOS-3-39495,CCc1nc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1nccn1C,CDAWRGTUUUAZAE-UHFFFAOYSA-N,3,1,0.402,46,717,464.892,3.916,5,0.376,0.63,0.861,0.4720803920224796,0.5410098690973888,0.3434908505242958,0.3563241038996642,0.42822630388595706
EOS-3-39496,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)nc2)s1,RNSPYVNGQMFGMF-UHFFFAOYSA-N,3,1,0.435,87,367,467.917,4.427,5,0.365,0.73,1.0,0.6067096155164142,0.6606298403125214,0.4505003084092934,0.47357103694057984,0.5478527002947022
EOS-3-39497,Cc1ccnc(-c2ncncc2-c2nnc3cncc(OCc4ccc(F)nc4)n23)n1,ZNUUZLOMBGYPJT-UHFFFAOYSA-N,3,1,0.484,7,85,415.392,2.46,5,0.399,0.69,0.998,0.6773353437050237,0.5505105887190734,0.21637482009457884,0.19359536700705915,0.40945402988143376
EOS-3-39498,Cc1cnnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)n1,HSNAXCLNWZCFGW-UHFFFAOYSA-N,3,1,0.426,53,466,430.407,1.897,5,0.368,0.57,1.0,0.6234236858337331,0.5410184360222055,0.11222671509834829,0.11838633404153245,0.3487637927489548
EOS-3-39499,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)n1,UPBWTLPOENDVLU-UHFFFAOYSA-N,3,1,0.495,37,386,465.851,4.196,5,0.347,0.7,1.0,0.9226406689054897,0.9470392707833596,0.782494345829621,0.8186039339318758,0.8676945548625865
EOS-3-39500,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,OSWANWUTTFJEEF-UHFFFAOYSA-N,3,1,0.316,69,220,458.529,5.107,6,0.357,0.79,1.0,0.08590055513672812,0.08539510657254472,0.2414587759577822,0.2905044205332054,0.17581471455006512
EOS-3-39501,Cc1cc(-c2cc(F)nc(COc3cncc4nnc(-c5ncccc5C)n34)c2)n(C)n1,UAYHRCDFXOKOKD-UHFFFAOYSA-N,3,1,0.435,31,122,430.447,3.317,5,0.395,0.59,0.986,0.3600507161949147,0.30975430059625797,0.2663713933246522,0.19080254951682543,0.28174473990816257
EOS-3-39502,COc1cc(-c2ncnn2C)ccc1-c1nnc2cncc(OCc3cccc(C(F)F)n3)n12,KWIOUVKDFUDGSJ-UHFFFAOYSA-N,3,1,0.484,4,718,464.436,3.507,5,0.36,0.64,0.999,0.4390891645534919,0.40584949626482075,0.5738982934685766,0.38238468919196766,0.4503054108697142
EOS-3-39503,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(Cl)s5)cn4)n23)cn1,ZAYGHXOUHGSECR-UHFFFAOYSA-N,3,1,0.478,4,205,479.913,2.692,5,0.39,0.66,1.0,0.49432012884654924,0.44199335206634227,0.0822596120896443,0.05454561030772394,0.26827967582756496
EOS-3-39504,Fc1ccc(-c2ccnc(-c3nnc4cncc(CCc5ccc(Cl)c(F)c5)n34)c2)cn1,IIYVTXROHZGAOZ-UHFFFAOYSA-N,3,1,0.414,14,153,448.864,4.965,5,0.355,0.76,0.987,0.44361250085669246,0.5505191556438901,0.9104071002672881,0.9332722226029745,0.7094527448427113
EOS-3-39505,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)c4)n23)c1,DQIXCGPQUMTZEN-UHFFFAOYSA-N,3,1,0.31,64,144,468.883,4.894,6,0.366,0.74,1.0,0.011556781577684874,0.144883832499486,0.6883438420944418,0.8145689123432253,0.4148383421287095
EOS-3-39506,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)nc5)n34)c(F)c2)nn1,IFNNVHFQDKCDSB-UHFFFAOYSA-N,3,1,0.27,39,972,468.431,3.384,6,0.362,0.62,0.955,0.12661914879035022,0.1893804399972586,0.4715578096086629,0.5213316427935029,0.3272222602974436
EOS-3-39507,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5c[nH]nn5)ncc4Cl)n23)cn1,WNAJTJKZQCNHQA-UHFFFAOYSA-N,3,1,0.414,55,283,462.861,1.958,5,0.386,0.6,1.0,0.5402645466383387,0.5136128435336852,0.1757761633883901,0.14054896854225207,0.34255063052566653
EOS-3-39508,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccccc5F)ncn4)n23)n(C)n1,IAHFKMMWSWACQC-UHFFFAOYSA-N,3,1,0.398,44,662,416.42,3.008,5,0.435,0.67,0.917,0.32437804125830993,0.3584829689534645,0.3032006031115071,0.2872489891028716,0.3183276506065383
EOS-3-39509,Fc1ccc(-c2ncsc2-c2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)nc1,GSJIRIUQPZPBQC-UHFFFAOYSA-N,3,1,0.337,96,315,442.401,5.135,5,0.362,0.78,1.0,0.2989085737783565,0.5505277225687067,0.9726800767596464,0.9614574052498115,0.6958934445891303
EOS-3-39510,Cc1c(F)cncc1-c1nnc2cncc(Cc3ccc(-c4ccc(F)nc4)cn3)n12,JGZFRGMLJKMHOO-UHFFFAOYSA-N,3,1,0.354,85,81,415.407,3.821,5,0.415,0.71,1.0,0.3553303406209307,0.3678894524021657,0.737800699061065,0.733028921938181,0.5485123535055856
EOS-3-39511,Cc1cccc(-c2cnnc(COc3cncc4nnc(-c5ccccc5F)n34)c2)n1,YPKGNOKXXGBFKR-UHFFFAOYSA-N,3,1,0.5,4,534,413.416,3.67,5,0.434,0.73,1.0,0.5533462408333905,0.6407974093619354,0.5269001439243369,0.5113426084572682,0.5580966006442327
EOS-3-39512,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nn2)n1,CMEHLQXHRXHVEO-UHFFFAOYSA-N,3,1,0.343,6,318,462.477,3.54,6,0.378,0.61,0.98,0.3391302857926119,0.21273387704749502,0.15037523130697006,0.12309814269069974,0.20633438420944417
EOS-3-39513,N=c1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)n[nH]1,QTNLTGGRCXNEAI-UHFFFAOYSA-N,3,1,0.558,4,921,431.847,2.683,5,0.437,0.63,0.999,0.4720889589472963,0.5001884723459666,0.3698769789596327,0.3758823932561168,0.4295092008772531
EOS-3-39514,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nc6cccc(F)c6n5C)ncn4)n23)cn1,LULUASWRYHWXDK-UHFFFAOYSA-N,3,1,0.459,4,205,467.468,3.557,6,0.379,0.62,1.0,0.5583236241518744,0.5456874100472894,0.2777654033308204,0.26962682475498595,0.41285081557124254
EOS-3-39515,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nc(C(F)F)cs5)ccn4)n23)cn1,HPIVKAORXOVQSC-UHFFFAOYSA-N,3,1,0.511,27,205,451.462,4.53,5,0.375,0.73,1.0,0.5250496881639367,0.6219844424645329,0.6233380165855664,0.47944794736481394,0.5624550236447124
EOS-3-39516,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cocn5)ncc4Cl)n23)nn1,KDYDRXCNPSVABV-UHFFFAOYSA-N,3,1,0.396,53,411,420.82,3.172,5,0.422,0.61,0.999,0.5533548077582071,0.5364608320197382,0.28501302172572135,0.29954252621478994,0.41859279692961415
EOS-3-39517,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cc5)n34)cn2)nc1,VVSAPHSYFYKRGZ-UHFFFAOYSA-N,3,1,0.308,32,339,433.5,5.039,6,0.387,0.74,1.0,0.12387773284901651,0.185165512987458,0.4955023644712494,0.5280909464738538,0.3331591391953944
EOS-3-39518,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ccnn1C,NDHYCXPGXUTZGR-UHFFFAOYSA-N,3,1,0.494,16,591,419.47,3.236,5,0.417,0.64,1.0,0.35783188266739774,0.1723151257624563,0.30320917003632375,0.18262113631690768,0.2539943286957714
EOS-3-39519,Cc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nn1,PWMFFENIUQFECW-UHFFFAOYSA-N,3,1,0.494,15,846,410.441,2.968,5,0.421,0.78,1.0,0.5119936947433349,0.4815040093208142,0.20599170721677745,0.1741484476732232,0.3434094647385374
EOS-3-39520,N#Cc1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5Cl)n4)n23)cc1,KXRXQZVELDOMDR-UHFFFAOYSA-N,3,1,0.459,61,316,410.828,3.835,5,0.445,0.77,1.0,0.33913885271742855,0.5736412857240765,0.6803509012404907,0.8124014803646084,0.601383130011651
EOS-3-39521,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,LEAIYAITYMEQRL-UHFFFAOYSA-N,3,1,0.462,26,55,449.877,4.441,5,0.356,0.68,1.0,0.5667963127955589,0.5642776368994585,0.7732335001028031,0.7537608799945171,0.6645170824480844
EOS-3-39522,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)ccn2)nc1,SWMVBIIXJLPLGB-UHFFFAOYSA-N,3,1,0.518,73,775,452.812,3.549,5,0.399,0.56,1.0,0.752732849016517,0.7463419231032828,0.602434720032897,0.6459375642519362,0.6868617641011583
EOS-3-39523,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5c[nH]nn5)cc4)n23)cc1,MVAWYCQZRMQUBF-UHFFFAOYSA-N,3,1,0.411,62,740,410.441,2.527,5,0.46,0.78,1.0,0.23146117469673086,0.11085600712768144,0.3739205674730999,0.26686827496401894,0.24577650606538276
EOS-3-39524,OCc1cc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)ccc1Cl,JKFRSEKPIDXUAI-UHFFFAOYSA-N,3,1,0.467,97,969,463.86,3.507,5,0.381,0.63,1.0,0.9070745665136043,0.9080683297923378,0.7886967993968885,0.7762490576382701,0.8450221883352752
EOS-3-39525,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(F)ncc4Oc4ccccc4)n23)cc1,PBPPVSNWAPJHGF-UHFFFAOYSA-N,3,1,0.355,3,642,464.464,4.58,6,0.345,0.74,1.0,0.3578404495922144,0.3338016585566445,0.6143427455280652,0.5984682338427798,0.47611327187992597
EOS-3-39526,OC(F)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccc(F)c(Cl)c4)n23)nc1,CIZNBNWIYGJIFT-UHFFFAOYSA-N,3,1,0.34,96,315,456.865,4.73,5,0.42,0.68,0.987,0.24804674114179973,0.4860873140977315,0.9208844493180728,0.9377013227331917,0.6481799568226989
EOS-3-39527,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnc4Cl)n23)nc1,KFPVTPYVJPMTAI-UHFFFAOYSA-N,3,1,0.43,65,773,467.32,3.91,5,0.35,0.66,1.0,0.7196559522993626,0.6264392433692002,0.4398002193132753,0.5047032417243507,0.5726496641765472
EOS-3-39528,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(C(F)F)n5)n34)c2)cn1,DKMXIUHZCNOPBY-UHFFFAOYSA-N,3,1,0.474,87,349,466.427,3.68,5,0.361,0.66,1.0,0.5326142827770544,0.5228394215612364,0.7378092659858817,0.6225241587279831,0.6039467822630389
EOS-3-39529,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(Oc3cccc(Cl)c3)n12,JEEXPBRZKGVIGS-UHFFFAOYSA-N,3,1,0.61,13,15,418.819,4.833,5,0.416,0.73,1.0,0.7899133027208554,0.9140908779384552,0.9104156671921048,0.9332807895277911,0.8869251593448015
EOS-3-39530,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)nn1,NHSUUQXXEBSVIJ-UHFFFAOYSA-N,3,1,0.46,57,613,418.819,4.833,5,0.416,0.73,1.0,0.7042526214789939,0.8210112398053595,0.8465235419093962,0.8796775409499006,0.8128662360359126
EOS-3-39531,COc1ncc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1ncccc1F,USKXAGSBROAVML-UHFFFAOYSA-N,3,1,0.495,35,657,461.432,3.552,5,0.363,0.63,1.0,0.7614968131039682,0.6127578644369817,0.5927283942156124,0.5213402097183195,0.6220808203687205
EOS-3-39532,N#Cc1cncc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)c1,CFIVLVSZKNLJQL-UHFFFAOYSA-N,3,1,0.484,11,848,453.893,4.395,5,0.351,0.67,1.0,0.8535998218079638,0.8943269823864026,0.7709632650263861,0.7948906860393393,0.8284451888150229
EOS-3-39533,COc1ccc(-c2cc(Cl)cnn2)cc1Cc1cncc2nnc(-c3cnc(C)cn3)n12,QQYBYXPGZRUXJA-UHFFFAOYSA-N,3,1,0.346,85,60,444.886,3.6,5,0.405,0.52,1.0,0.35784901651703105,0.27901617435405385,0.41016722637242137,0.37589096018093343,0.35573084435610997
EOS-3-39534,Cc1nc(Oc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc(-c2cnc(Cl)cn2)n1,YOMHFHSUQWKTAD-UHFFFAOYSA-N,3,1,0.435,73,756,469.267,4.585,5,0.377,0.71,1.0,0.8645911863477486,0.9253306832979233,0.6912394626824755,0.7382633130011651,0.8048561613323282
EOS-3-39535,FC(F)c1ccc(-c2nnc3cncc(OCc4cnn(-c5cnccn5)n4)n23)cn1,DSNJCICWHYCGOH-UHFFFAOYSA-N,3,1,0.457,92,185,422.359,2.074,5,0.405,0.61,0.987,0.187538551161675,0.28425913234185457,0.26270474950311834,0.21940751147967927,0.2384774861215818
EOS-3-39536,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)c1,OPRLNDIYIAPYDA-UHFFFAOYSA-N,3,1,0.517,84,672,463.904,4.309,5,0.373,0.71,1.0,0.4820351586594476,0.5642862038242752,0.7276231923788636,0.7058203687204441,0.6199412308957577
EOS-3-39537,Cc1c(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)nn2C)cnn1C,VGHPQXDTEWQYGN-UHFFFAOYSA-N,3,1,0.394,95,956,440.389,3.443,5,0.398,0.59,1.0,0.32687101637996024,0.37262696182578303,0.6289493523404839,0.5739239942430265,0.47559283119731344
EOS-3-39538,Fc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c1,SQQUHCHVQIQBNW-UHFFFAOYSA-N,3,1,0.438,54,265,450.384,3.077,5,0.389,0.54,0.996,0.7376978959632651,0.6558666301144541,0.6639623740662052,0.697621821670893,0.6887871804537044
EOS-3-39539,N=c1cc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2Cl)nc[nH]1,JBGCIRPOKNUIIC-UHFFFAOYSA-N,3,1,0.533,35,619,449.927,3.997,5,0.407,0.68,1.0,0.7615053800287849,0.684934206017408,0.5927369611404291,0.5894386950860119,0.6571538105681584
EOS-3-39540,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cc5)n34)cn2)nc1,ZOMMYAJPXFBIMX-UHFFFAOYSA-N,3,1,0.313,32,479,417.432,4.57,6,0.415,0.73,1.0,0.12388629977383318,0.12351792200671646,0.5704800904667261,0.5739325611678432,0.3479542183537797
EOS-3-39541,Cc1nnc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)c(F)c2)s1,QZABBJNLTQKBLZ-UHFFFAOYSA-N,3,1,0.386,13,706,469.889,4.09,5,0.409,0.71,0.999,0.7347166061270646,0.7848759509286547,0.540410184360222,0.5511445411555068,0.652786820642862
EOS-3-39542,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)nc1F,VJTTUCJZPWPSOX-UHFFFAOYSA-N,3,1,0.429,46,223,454.828,3.492,5,0.375,0.6,0.998,0.7010571585223768,0.6176324446576656,0.5927455280652457,0.6044136796655473,0.6289622027277089
EOS-3-39543,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)nc1C,VRTOTFCEDFLZCZ-UHFFFAOYSA-N,3,1,0.488,7,567,430.497,3.604,5,0.417,0.58,1.0,0.3830529093276677,0.28943355493112194,0.04458227674593928,0.02767116715783702,0.1861849770406415
EOS-3-39544,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)[nH]n2)nc1,XEUSAPZLTMZUFN-UHFFFAOYSA-N,3,1,0.433,58,963,420.383,2.871,5,0.45,0.61,0.802,0.5277397025563704,0.40128332533753686,0.4819323555616476,0.5148636145569186,0.4814547495031184
EOS-3-39545,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccccn5)n4)n23)cn1,CCIBYXKVBVYQGF-UHFFFAOYSA-N,3,1,0.398,85,290,409.413,1.728,5,0.463,0.73,1.0,0.06928928791720924,0.037960043862655064,0.04788910972517305,0.034576108560071275,0.047428637516277156
EOS-3-39546,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)ccn2)nc1,MYJANMGZOFVENR-UHFFFAOYSA-N,3,1,0.627,73,166,465.851,4.196,5,0.371,0.63,1.0,0.9472106092796929,0.9059437324378041,0.7732420670276198,0.8014101158248236,0.8569516311424851
EOS-3-39547,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cc(C)n1,DYZGSZLMRQYQJP-UHFFFAOYSA-N,3,1,0.605,1,92,442.91,5.098,5,0.377,0.72,1.0,0.459949626482078,0.6219930093893496,0.7430179562744157,0.7058289356452607,0.632697381947776
EOS-3-39549,COc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,QPVXREAIOYDIQJ-UHFFFAOYSA-N,3,1,0.489,15,771,462.901,3.265,5,0.339,0.65,1.0,0.5896100335823453,0.46415598656706186,0.35510760057569735,0.26084572681790147,0.41742983688575147
EOS-3-39550,COc1cccc(-c2cnc(-c3nnc4cncc(-c5cccc(-c6cncnc6)c5)n34)cn2)n1,SJGBNURJOOWAKV-UHFFFAOYSA-N,3,1,0.26,94,72,459.473,3.776,6,0.38,0.57,0.985,0.30137584812555684,0.1565348502501542,0.38141662668768417,0.33735693235556163,0.2941710643547392
EOS-3-39551,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc(C)nn6C)s5)n34)cc2)nn1,ODACYMJLQXWQMP-UHFFFAOYSA-N,3,1,0.308,98,193,465.546,4.389,6,0.381,0.67,1.0,0.06531423480227537,0.10102974436296347,0.10955383455554794,0.1090055513672812,0.096225841272017
EOS-3-39552,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(C)n5)n34)ncn2)s1,CIJMXVPSQVSWJG-UHFFFAOYSA-N,3,1,0.398,31,481,447.499,4.082,5,0.387,0.64,0.77,0.6205537660201494,0.5090638064560346,0.2887996024946885,0.24001096566376534,0.4146070351586594
EOS-3-39553,Cc1ccc(-c2nnc3cncc(-c4cc(F)ccc4OCc4ccc(F)c(F)c4)n23)nc1,YPUNGJIGHIUGDK-UHFFFAOYSA-N,3,1,0.402,45,13,447.42,5.158,5,0.373,0.75,0.999,0.5583321910766911,0.6509406483448701,0.9619714207388116,0.9527191419368104,0.7809908505242957
EOS-3-39554,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)c2)cs1,YMWKXFKVXWHNQB-UHFFFAOYSA-N,3,1,0.455,2,980,453.89,4.385,5,0.39,0.69,1.0,0.664947570420122,0.6408059762867521,0.6289579192653005,0.6341580426290179,0.6422173771502981
EOS-3-39555,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)n[nH]1,CKIYJJIPJIPSEB-UHFFFAOYSA-N,3,1,0.5,16,256,421.421,2.23,5,0.445,0.66,1.0,0.6832465218285244,0.5548368857514906,0.24485127818518265,0.22841134946199712,0.4278365088067987
EOS-3-39556,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccsc5)ncn4)n23)c(C)n1,AEPPZFHKOBYSSR-UHFFFAOYSA-N,3,1,0.433,7,238,415.482,3.901,5,0.43,0.72,0.998,0.41373963402097186,0.19392091015009252,0.26637996024946886,0.18805256665067507,0.2655232677678021
EOS-3-39557,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ncc(Cl)cn4)n23)cn1,YZHOIFAYFLNYCO-UHFFFAOYSA-N,3,1,0.259,86,588,468.872,2.549,6,0.379,0.59,0.982,0.1457062572818861,0.172323692687273,0.03873963402097183,0.07424097046124323,0.10775263861284354
EOS-3-39558,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ncn4)n23)nc1,GEHSZQPYXCLCIS-UHFFFAOYSA-N,3,1,0.406,46,128,418.367,2.896,5,0.402,0.62,1.0,0.532622849701871,0.5180933452128024,0.5864231375505449,0.5675073675553424,0.5511616750051401
EOS-3-39559,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(C)c(C)n4)n23)c1,SWZJPNUSMBZKCE-UHFFFAOYSA-N,3,1,0.458,26,448,425.496,4.266,5,0.404,0.66,0.999,0.25848125556850116,0.13754197793160167,0.3660561304913988,0.22841991638681378,0.24762482009457884
EOS-3-39560,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cnn2)cs1,SIEYLDYMBUQWTE-UHFFFAOYSA-N,3,1,0.495,87,304,450.915,3.683,5,0.386,0.61,0.881,0.5583407580015077,0.6312966897402509,0.19207045438969228,0.240019532588582,0.4054318586800082
EOS-3-39561,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)ccc1Cl,HDBJSXXMYLVLAV-UHFFFAOYSA-N,3,1,0.506,4,67,450.911,4.551,5,0.375,0.72,1.0,0.6677917894592557,0.7932201357000891,0.6113271879925982,0.5706771297375094,0.6607540607223631
EOS-3-39562,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)nc1,VPURBOFKJAUAHU-UHFFFAOYSA-N,3,1,0.432,18,842,449.837,2.847,5,0.385,0.51,0.701,0.7133678294839284,0.5983996984442465,0.25229593585086696,0.3309060379686108,0.47374237543691317
EOS-3-39563,Cc1ncc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5Cl)n[nH]4)n23)o1,FYTRHCBHNYVUEL-UHFFFAOYSA-N,3,1,0.473,59,963,443.801,3.988,5,0.409,0.61,1.0,0.7133763964087451,0.5688780755260092,0.7847474470564046,0.7788705366321705,0.7114681139058324
EOS-3-39564,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cncnc5F)n34)c2)cn1C,IONQSXONCXKASZ-UHFFFAOYSA-N,3,1,0.452,16,55,416.42,3.008,5,0.406,0.67,1.0,0.6952059488725927,0.5090723733808512,0.40703173188952096,0.3092145843328079,0.48013115961894315
EOS-3-39565,Clc1nccnc1COc1cncc2nnc(-c3cccc(-c4ccncn4)c3)n12,MQQCXUDHWBRVGO-UHFFFAOYSA-N,3,1,0.478,4,55,416.832,3.271,5,0.43,0.64,1.0,0.589618600507162,0.6313052566650675,0.38876704818038516,0.4264615173737235,0.5090381056815846
EOS-3-39566,Cc1ncc(-c2nnc3cncc(-c4ccc(COCc5cc(F)cc(Cl)n5)nc4)n23)cn1,ZXKPARGIADSBHH-UHFFFAOYSA-N,3,1,0.33,82,478,462.876,3.856,5,0.35,0.65,1.0,0.3919796449866356,0.44663662531697623,0.5895500651086286,0.570685696662326,0.4997130080186416
EOS-3-39567,Cc1nc(Cl)cc(COc2cncc3nnc(-c4cnc(C(C)(C)O)cn4)n23)n1,REXGKUZNUUBDND-UHFFFAOYSA-N,3,1,0.411,31,828,412.841,2.14,4,0.49,0.7,0.999,0.43909773147830855,0.4466451922417929,0.21638338701939552,0.0984425330683298,0.3001422109519567
EOS-3-39568,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,HAGBKWIIIRCNLU-UHFFFAOYSA-N,3,1,0.533,65,262,414.404,2.799,5,0.418,0.7,1.0,0.8374169008292783,0.8644455486258653,0.362517990542115,0.3468747858268796,0.6028138064560346
EOS-3-39569,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(C)c5F)n34)ncn2)s1,BVOQAIFYVIFGSA-UHFFFAOYSA-N,3,1,0.411,44,238,433.472,4.04,5,0.413,0.63,0.879,0.5556935782331575,0.4815125762456309,0.457576588307861,0.3854516482763347,0.470058597765746
EOS-3-39570,CCn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccn1,WUZVRUMFWHCFQJ-UHFFFAOYSA-N,3,1,0.449,75,779,447.89,3.135,5,0.374,0.57,1.0,0.4461054759783428,0.40585806318963746,0.09914502090329655,0.11621890206291549,0.2668318655335481
EOS-3-39571,Cc1cc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)c(C)c5)n34)c2)n(C)n1,QSGZVOFNLQJYTF-UHFFFAOYSA-N,3,1,0.429,14,18,444.926,5.041,5,0.379,0.77,1.0,0.3553389075457474,0.41532451511205537,0.730090466726064,0.6776009183743403,0.5445887019395518
EOS-3-39572,CCn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5C)n34)ccn2)cn1,HNBBFAQWNAZCQP-UHFFFAOYSA-N,3,1,0.511,16,256,445.914,4.611,5,0.379,0.7,1.0,0.40711740113768763,0.564294770749092,0.5739068603933932,0.534918785552738,0.5200594544582278
EOS-3-39573,Cc1cc(Cl)ccc1-c1nnc2cncc(Cc3cc(-c4cncn4C)nc(CF)n3)n12,IGSDACVSRNFAJB-UHFFFAOYSA-N,3,1,0.327,85,60,448.893,4.004,5,0.404,0.62,1.0,0.2506853539853334,0.4012918922623535,0.3327650606538277,0.38546021520115137,0.3425506305256665
EOS-3-39574,Fc1cc(-c2cnncn2)cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,MLPHMVRUEHNYFK-UHFFFAOYSA-N,3,1,0.522,37,265,466.839,3.591,5,0.374,0.59,0.997,0.8792748954835172,0.8554674114179974,0.8097971352203414,0.8305462271263108,0.8437714173120416
EOS-3-39575,N#Cc1cnsc1COc1cncc2nnc(-c3ccc(-c4ccncn4)cc3Cl)n12,RRINQHGHYXBUBJ-UHFFFAOYSA-N,3,1,0.471,16,256,446.883,3.809,5,0.4,0.63,1.0,0.6649561373449386,0.7505140154890001,0.5404187512850387,0.5984768007675965,0.6385914262216434
EOS-3-39576,Cc1ncncc1-c1cc(-c2nnc3cncc(OCCc4cncs4)n23)cnc1Cl,YQDILWNBGOSXKY-UHFFFAOYSA-N,3,1,0.479,65,552,450.915,3.683,5,0.361,0.66,1.0,0.6832550887533411,0.7418185868000823,0.27777397025563705,0.2872575560276883,0.4975263004591871
EOS-3-39577,Clc1ccnc(COc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)n1,UVROLXDSPCHHAO-UHFFFAOYSA-N,3,1,0.441,51,486,417.82,2.666,5,0.397,0.67,1.0,0.5095349873209513,0.5600284421903914,0.14143136179836885,0.1936039339318758,0.3511496813103968
EOS-3-39578,COc1ncc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)cc1-c1ncco1,OXMGMAHUALTKPM-UHFFFAOYSA-N,3,1,0.533,84,672,450.405,3.75,5,0.37,0.62,1.0,0.7347251730518813,0.5136214104585018,0.6442584469878693,0.5511531080803235,0.610939534644644
EOS-3-39579,Clc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)cn1,VXSTXHNKFJNQAQ-UHFFFAOYSA-N,3,1,0.518,65,552,465.304,3.967,5,0.347,0.67,1.0,0.8169676512918923,0.8918854088136523,0.5770509218011103,0.6312024535672675,0.7292766088684806
EOS-3-39580,Cc1cnc(-c2ccnc(C(C)c3cncc4nnc(-c5ccc(F)cc5)n34)n2)cn1,GMRJIMSYLDLCSH-UHFFFAOYSA-N,3,1,0.408,85,81,412.432,3.638,5,0.445,0.71,1.0,0.2989171407031732,0.40130045918717017,0.3961860050716195,0.3340243986018779,0.35760700089096015
EOS-3-39581,Cc1cc(Cl)nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,YTKZGZUVHSXVTL-UHFFFAOYSA-N,3,1,0.361,63,437,405.849,3.102,5,0.524,0.87,1.0,0.14879035021588652,0.1642279487355219,0.08491535878281133,0.1555496538962374,0.1383708279076143
EOS-3-39582,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)nn1C,RUNJOCLIQGRPIB-UHFFFAOYSA-N,3,1,0.41,31,569,449.906,3.078,5,0.376,0.59,0.995,0.25325543143033374,0.18100198752655747,0.14717976835035296,0.1634312247275718,0.18621710300870398
EOS-3-39583,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)s2)ccn1,SUFVWNKBNQICCS-UHFFFAOYSA-N,3,1,0.321,38,787,441.451,4.771,6,0.364,0.71,1.0,0.31946919333835927,0.43331505722705776,0.6380988280446851,0.640112055376602,0.5077487834966761
EOS-3-39584,Fc1ccccc1CCOc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,QXNWITKQGXIUKS-UHFFFAOYSA-N,3,1,0.831,11,183,412.428,4.009,5,0.419,0.78,1.0,0.7226715098348296,0.723202659173463,0.7430265231992325,0.7302104036734973,0.7297777739702556
EOS-3-39585,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)s4)n23)cc1,HQJVEDZAFDIJAW-UHFFFAOYSA-N,3,1,0.469,89,707,477.485,2.378,5,0.357,0.66,1.0,0.3368429168665616,0.11372592694126517,0.07360701802480982,0.04662977177712289,0.14270140840243986
EOS-3-39587,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(C)n5)n34)cc(C)n2)nn1,OMNUSKQLTWHALD-UHFFFAOYSA-N,3,1,0.484,58,241,438.495,3.585,5,0.396,0.6,1.0,0.4869782742786649,0.29471934754300594,0.1597560139812213,0.09639503803714619,0.2594621684600096
EOS-3-39588,Fc1ccc(-c2nnc3cncc(OCc4csc(-c5ccncc5)n4)n23)cc1F,XDEVLQYPQDNZPL-UHFFFAOYSA-N,3,1,0.568,59,436,422.42,4.167,5,0.423,0.7,1.0,0.6920104859159756,0.8092831197313413,0.7223631005414296,0.7221917620450963,0.7364621170584607
EOS-3-39589,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cscn5)n34)c2)nn1,NEULOGOSWQRWJF-UHFFFAOYSA-N,3,1,0.517,53,785,417.458,2.425,5,0.41,0.67,0.929,0.38994071688026866,0.25336680145295043,0.04789767664998972,0.04390548968542252,0.18377767116715782
EOS-3-39590,Fc1ccc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)cc1-c1ncccn1,CFGNGZFEDMEQEU-UHFFFAOYSA-N,3,1,0.55,73,980,468.279,4.668,5,0.37,0.71,1.0,0.9596155164142279,0.9364848194092249,0.8433709135768624,0.8854602152011514,0.9062328661503666
EOS-3-39591,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc(C)c(C)nc5C)nc4)n23)ccn1,JRQWJURBMMSLOJ-UHFFFAOYSA-N,3,1,0.511,65,579,452.522,3.893,5,0.382,0.63,1.0,0.548120416695223,0.419847851415256,0.10682098553903091,0.0559934206017408,0.2826956685628127
EOS-3-39592,CCn1cncc1-c1ccc(F)c(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)c1,XNXZNWGYRVNKMI-UHFFFAOYSA-N,3,1,0.547,13,15,434.862,5.26,5,0.377,0.8,1.0,0.6093225275854979,0.7550373517922007,0.8482369268727298,0.8648310602426154,0.7693569666232609
EOS-3-39593,FC(F)(F)c1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)c1,SNMVKRUUXGELLF-UHFFFAOYSA-N,3,1,0.3,3,289,475.394,4.108,6,0.374,0.7,1.0,0.162471729148105,0.24353197176341582,0.8692344595983825,0.8014186827496402,0.519164210814886
EOS-3-39594,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccc2Cl)n1,JFPVVFXEXFNPHG-UHFFFAOYSA-N,3,1,0.489,4,71,464.316,4.838,5,0.368,0.74,1.0,0.6980930025358097,0.8584829689534644,0.6992067027619766,0.7357532040298814,0.747883969570283
EOS-3-39595,COc1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)s1,QERKFHXPCOPDMH-UHFFFAOYSA-N,3,1,0.533,43,909,477.481,3.135,5,0.378,0.7,1.0,0.5865687752724282,0.37751867589610033,0.35130388595709683,0.22842848331163046,0.385954955109314
EOS-3-39596,Fc1cccc(-c2ccc(-c3nnc4cncc(Cc5cnc(CN6CCOCC6)nn5)n34)cc2)c1,OKHASYADJWMHJP-UHFFFAOYSA-N,3,1,0.41,14,740,482.523,3.205,6,0.364,0.72,1.0,0.2123912000548283,0.18101055445137412,0.022299705297786306,0.14779658693715303,0.14087451168528542
EOS-3-39597,COC(=O)c1cc(COc2cncc3nnc(-c4cc(C)nc(-c5ccc(F)cc5)c4)n23)ccn1,AIMHMLCUVKCVCL-UHFFFAOYSA-N,3,1,0.522,1,92,470.464,4.061,5,0.342,0.7,1.0,0.7319066547871976,0.5410270029470221,0.5370519498320883,0.40728873963402096,0.5543185868000822
EOS-3-39598,CCn1c(-c2ccsc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)cc3)n12,RRIHNRZRHUKNDJ-UHFFFAOYSA-N,3,1,0.308,8,474,467.562,4.507,6,0.371,0.69,1.0,0.09086937153039545,0.07842162977177712,0.06934925639092591,0.084923925707628,0.08089104585018161
EOS-3-39599,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NC5(F)CC5)cc4F)n23)n1,NBTQAIFCHZDNOY-UHFFFAOYSA-N,3,1,0.373,74,423,474.435,2.372,6,0.385,0.6,1.0,0.12389486669864985,0.23809197450483174,0.07794188198204373,0.16343979165238845,0.15084212870947844
EOS-3-39600,Fc1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)cc1-c1ncccn1,GYPKBYXUJCYNCV-UHFFFAOYSA-N,3,1,0.489,27,343,468.374,3.775,5,0.359,0.65,1.0,0.9085223768076212,0.9350455760400247,0.8401754506202453,0.7030960866287438,0.8467098725241587
EOS-3-39601,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(C#N)n5)n34)c(F)n2)nc1,OFYJHOQHZJODBV-UHFFFAOYSA-N,3,1,0.388,51,775,458.392,2.471,5,0.361,0.61,1.0,0.7226800767596464,0.7970409841683229,0.2448598451099993,0.22843705023644711,0.4982544890686039
EOS-3-39602,Cn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cc(=O)n(C)cn1,GXTJXYPTNMJOQM-UHFFFAOYSA-N,3,1,0.429,31,569,429.444,1.302,5,0.396,0.59,1.0,0.13244465766568433,0.006767870605167569,0.05722705777534096,0.043914056610239185,0.06008841066410801
EOS-3-39603,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5ncc(Cl)cn5)n34)c2)n1,WMCLCUYPCCPVSG-UHFFFAOYSA-N,3,1,0.239,86,249,469.86,1.944,6,0.372,0.59,1.0,0.08830786101021178,0.16423651566033856,0.02334487012541978,0.04789767664998972,0.08094673086148997
EOS-3-39604,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Br)cs5)n34)[nH]n2)cn1,KFFORVPMZQMVDG-UHFFFAOYSA-N,3,1,0.455,7,963,469.328,3.683,5,0.419,0.6,0.998,0.4182801041738058,0.3726355287505997,0.20958981563977794,0.19081111644164211,0.2978291412514564
EOS-3-39605,Cn1nc(CF)cc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccn1,WBHKZLSBINMDIZ-UHFFFAOYSA-N,3,1,0.467,36,208,451.853,3.079,5,0.387,0.58,0.999,0.42776368994585706,0.4641645534918786,0.24146734288259886,0.254797477897334,0.3470482660544171
EOS-3-39606,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1,WFSVXMNXXQILFP-UHFFFAOYSA-N,3,1,0.571,84,752,446.873,4.662,5,0.377,0.65,1.0,0.8118874648756083,0.867238366116099,0.8320283051195942,0.8532057432663971,0.8410899698444245
EOS-3-39607,Cc1nc(CF)ncc1COc1cncc2nnc(-c3ccc(Cl)c(C#N)c3)n12,DWWGLVQOPAFTGF-UHFFFAOYSA-N,3,1,0.542,90,555,409.812,3.463,4,0.497,0.76,1.0,0.8419573709821122,0.910098690973888,0.5992221232266466,0.6076605441710644,0.7397346823384278
EOS-3-39608,Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncc(F)n5C)c4)n23)c(F)n1,GYGDHVYOTNTWJD-UHFFFAOYSA-N,3,1,0.517,16,772,451.412,3.892,5,0.377,0.64,1.0,0.7928003563840724,0.7805582208210541,0.7778939072030704,0.7168031663354122,0.7670139126859022
EOS-3-39609,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)cc1Cl,BYPQDGLEEVRZIJ-UHFFFAOYSA-N,3,1,0.494,2,469,451.824,4.154,5,0.396,0.59,1.0,0.6832636556781577,0.7633472688643684,0.8465321088342129,0.864839627167432,0.7894956651360429
EOS-3-39610,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,FHWSXYKATCBORD-UHFFFAOYSA-N,3,1,0.511,75,583,453.89,4.119,5,0.382,0.65,1.0,0.755671304228634,0.7550459187170173,0.439808786238092,0.4978154341717497,0.6120853608388732
EOS-3-39611,CCc1nc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)ccc1-c1nccs1,BCKJJUWZOFKWRG-UHFFFAOYSA-N,3,1,0.423,58,602,448.487,3.423,5,0.373,0.6,0.378,0.5749605921458433,0.5892159550407786,0.06310396819957508,0.07030875197039271,0.3243973168391474
EOS-3-39612,Fc1cncc(CCOc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)c1F,QPAMVKALUFIZMQ-UHFFFAOYSA-N,3,1,0.534,35,265,436.447,4.21,5,0.397,0.6,1.0,0.789921869645672,0.7094184771434446,0.7615739154273182,0.7487320951271331,0.752411589335892
EOS-3-39613,Cn1nc(COCc2ccc(Cl)nn2)nc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,NVIFRVQOYKIOLX-UHFFFAOYSA-N,3,1,0.352,61,333,476.888,1.846,5,0.37,0.66,1.0,0.22326262764717977,0.20784216297717772,0.036032485778904805,0.039005208690288534,0.12653562127338772
EOS-3-39614,N#Cc1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cn1,MPYFQNKHVSSIIT-UHFFFAOYSA-N,3,1,0.392,56,197,474.448,2.274,6,0.375,0.61,1.0,0.6205623329449661,0.5090809403056679,0.1855167569049414,0.14055753546706873,0.363929391405661
EOS-3-39615,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)c(Cl)c1,KDARAYNGQUTPSM-UHFFFAOYSA-N,3,1,0.57,88,70,466.879,4.745,5,0.361,0.71,1.0,0.8713333561784662,0.8810739496950175,0.92549345486944,0.9225892673565896,0.9001225070248784
EOS-3-39616,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cnc(Cl)cn5)c4)n23)nc1,WPICZHVYIWOFOG-UHFFFAOYSA-N,3,1,0.479,87,307,465.304,3.967,5,0.371,0.61,0.999,0.7074052498115276,0.7763175930368035,0.5370605167569049,0.6076691110958811,0.6571131176752792
EOS-3-39617,Fc1cc(COc2cncc3nnc(-c4cnnc(-c5ncccn5)c4)n23)cnc1Cl,HSSRUIHCKLORDP-UHFFFAOYSA-N,3,1,0.44,55,65,435.81,2.805,5,0.384,0.56,1.0,0.7406449181001987,0.6800938934959907,0.42507367555342335,0.4548865739154273,0.57517476526626
EOS-3-39618,N=c1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)n[nH]1,ZTTRGOMFWYGTTH-UHFFFAOYSA-N,3,1,0.54,7,420,432.835,2.078,5,0.429,0.62,0.987,0.4277722568706737,0.45077445000342675,0.21639195394421218,0.2312384346514975,0.3315442738674525
EOS-3-39620,Cc1ccc(-c2nnc3cncc(-c4nnc(C(F)(F)F)nc4-c4ccc(F)cc4)n23)cc1,AZGYDUHDTNWMGX-UHFFFAOYSA-N,3,1,0.395,96,574,451.387,4.777,5,0.368,0.72,0.993,0.4027654033308204,0.6703361661298061,0.8882701665410184,0.8532143101912137,0.7036465115482147
EOS-3-39621,Fc1cccc(-c2ncnnc2-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)c1,LEYGDPAYDFOWNH-UHFFFAOYSA-N,3,1,0.426,27,52,469.362,3.17,5,0.358,0.65,1.0,0.5250582550887534,0.5790470152833939,0.7867949420875883,0.7058375025700775,0.6491844287574532
EOS-3-39622,CCCn1ncnc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3F)n12,FEOSCCSCNJAFMD-UHFFFAOYSA-N,3,1,0.303,50,961,419.399,3.195,5,0.431,0.68,0.624,0.14879891714070317,0.19856418340072648,0.08729696388184498,0.2109091220615448,0.16139229662120486
EOS-3-39623,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4ccccc4)n23)nc1,QYFSTYZQLAYVHR-UHFFFAOYSA-N,3,1,0.614,84,56,413.416,3.404,5,0.421,0.73,1.0,0.8066445068878075,0.7140960180933452,0.45050887533411005,0.4857275032554314,0.6142442258926736
EOS-3-39624,Cn1cnnc1-c1cnc(Oc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c(Cl)c1,IYOZXJCLXLNHJG-UHFFFAOYSA-N,3,1,0.482,13,252,473.711,4.734,5,0.372,0.8,1.0,0.5120022616681515,0.7372524158727983,0.6442670139126859,0.7810808032348708,0.6686506236721267
EOS-3-39625,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCc4cc(-c5cccnn5)no4)n23)cc1,NCHOXPPHTCNWPY-UHFFFAOYSA-N,3,1,0.468,6,218,467.424,3.411,6,0.359,0.68,0.932,0.7288653964772805,0.6703447330546227,0.35868000822424784,0.3854687821259681,0.5358397299705298
EOS-3-39626,COCCNC(=O)c1ccc(-c2nnc3cncc(OCc4c(C#N)ccc(Cl)c4F)n23)nc1,FEIFDRJZYNMQQG-UHFFFAOYSA-N,3,1,0.38,63,683,481.875,2.806,4,0.38,0.66,0.655,0.41152080049345485,0.2030532520046604,0.6055188129668974,0.5245870742238367,0.4361699849222124
EOS-3-39627,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)n1,IXEQDFRTGAUOBQ-UHFFFAOYSA-N,3,1,0.447,44,500,465.851,4.462,5,0.354,0.7,1.0,0.7133849633335618,0.737260982797615,0.7353848262627647,0.7762576245630869,0.740572099239257
EOS-3-39628,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)n(C)n1,NFQKBTCLIWSCHN-UHFFFAOYSA-N,3,1,0.512,31,367,412.457,2.912,5,0.423,0.77,1.0,0.2963813309574395,0.1602100609965047,0.10682955246384758,0.0867572476183949,0.16254454800904666
EOS-3-39629,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)nnc2Cl)ccn1,UUNYZQNLIQWZMI-UHFFFAOYSA-N,3,1,0.425,18,87,454.878,3.514,5,0.359,0.64,1.0,0.6952145157974093,0.7048266054417106,0.34739736824069634,0.43601363854430814,0.5458630320060311
EOS-3-39630,Cn1nc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)c4F)n23)cc1-c1ccccn1,VPGSWSJHKJSNEA-UHFFFAOYSA-N,3,1,0.432,95,477,468.855,3.535,5,0.376,0.63,1.0,0.47209752587211296,0.4106041395380714,0.4610890274826948,0.5245956411486533,0.4670965835103831
EOS-3-39631,Cc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc(-c2cnc(C)s2)n1,SMOWOGGXCRWSQF-UHFFFAOYSA-N,3,1,0.505,87,661,447.499,4.082,5,0.387,0.65,1.0,0.5639606606812418,0.6080117880885477,0.25554280035638405,0.2223973682406963,0.4124781543417175
EOS-3-39632,N#Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(Cl)cn5)n4)n23)c(F)c1,LTFOJFUCWWPCET-UHFFFAOYSA-N,3,1,0.446,7,212,459.832,3.281,5,0.388,0.57,1.0,0.7469244739908163,0.9059522993626208,0.6586251799054211,0.6920361866904257,0.750884534987321
EOS-3-39633,FC(F)c1nnc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)ccn2)s1,JVTXRALBYPTXNM-UHFFFAOYSA-N,3,1,0.627,75,241,457.491,4.325,5,0.359,0.73,0.878,0.7164176547186621,0.7324720718250977,0.2377835652114317,0.22507024878349668,0.477935885134672
EOS-3-39634,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)cn1,SNLBFFKXAPDVPU-UHFFFAOYSA-N,3,1,0.547,73,469,465.851,4.462,5,0.378,0.67,1.0,0.6920190528407922,0.755054485641834,0.8516893975738469,0.8442447399081625,0.7857519189911589
EOS-3-39635,Cc1ccc(-c2cc(-c3nnc4cncc(Cc5cc(-c6noc(C)n6)ncn5)n34)ccn2)nn1,DQADPRJYVVIVNN-UHFFFAOYSA-N,3,1,0.293,85,60,463.465,2.691,6,0.372,0.59,1.0,0.1002501542046467,0.06415769995202522,0.04310876567747241,0.034584675484887945,0.06052532382975807
EOS-3-39636,CCCc1cnc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(C)n4)n23)cn1,KCWYLWRIYHLLMO-UHFFFAOYSA-N,3,1,0.376,7,535,429.444,2.866,5,0.38,0.61,1.0,0.31704475361524226,0.15654341717497086,0.023353437050236448,0.013064560345418409,0.127501542046467
EOS-3-39637,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cccnc5Cl)n34)ccn2)nn1,QDDZPBIPWVJACR-UHFFFAOYSA-N,3,1,0.427,24,241,416.832,3.792,5,0.407,0.73,0.998,0.5865773421972449,0.5736498526488931,0.3998526488931533,0.39797649235830307,0.4895140840243986
EOS-3-39638,Fc1cncc(Oc2ccc(Cl)nc2-c2cncc3nnc(-c4ncc(Cl)cn4)n23)c1,YEXOYZDCDFGHHS-UHFFFAOYSA-N,3,1,0.261,73,775,455.24,4.277,5,0.37,0.67,0.971,0.4894626824754986,0.6029830032211637,0.5540144609690906,0.6976303885957097,0.5860226338153656
EOS-3-39639,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)o1,BXLABBYLRDPAQG-UHFFFAOYSA-N,3,1,0.534,75,43,438.9,4.486,5,0.385,0.69,1.0,0.7164262216434789,0.694734768007676,0.3660646974162155,0.36319477760263175,0.5351051161675006
EOS-3-39640,Cc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1F,VHPCCWQBPUYXOS-UHFFFAOYSA-N,3,1,0.583,75,496,432.484,4.379,5,0.396,0.65,1.0,0.734733739976698,0.6509492152696867,0.5799636762387773,0.5213487766431362,0.6217488520320745
EOS-3-39641,Cc1cc(-c2ncncc2-c2nnc3cncc(Cc4cnc(C(F)(F)F)s4)n23)ncn1,JVYBWFWQGDOHFI-UHFFFAOYSA-N,3,1,0.318,85,362,455.429,3.413,5,0.406,0.55,1.0,0.25562846960455077,0.3097628675210746,0.4644900966349119,0.3213796175724762,0.33781526283325336
EOS-3-39642,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(Oc4c(Cl)cccc4Cl)n23)ncn1,LSTULJACEPKPNI-UHFFFAOYSA-N,3,1,0.374,44,971,453.293,4.389,5,0.398,0.66,0.794,0.35534747447056403,0.377527242820917,0.5097063258172846,0.5706942635871428,0.4533188266739771
EOS-3-39643,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nccc(-c4ccc(Cl)nc4)n3)n12,DNVVQAFFNXUBSM-UHFFFAOYSA-N,3,1,0.506,59,210,468.279,4.668,5,0.346,0.77,1.0,0.8577633472688644,0.9534216297717771,0.794976355287506,0.8564440408470976,0.8656513432938112
EOS-3-39644,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cnc(-c6ccon6)cn5)n34)c2)o1,FRXBNHRKVOTBJD-UHFFFAOYSA-N,3,1,0.483,28,355,452.434,3.779,6,0.368,0.64,1.0,0.41152936741827156,0.30468268110479063,0.2815348502501542,0.21091768898636146,0.30216614693989446
EOS-3-39645,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccccc5)c4)n23)cc1,BMGICMRJCNZFAZ-UHFFFAOYSA-N,3,1,0.342,9,598,430.475,4.316,6,0.414,0.59,1.0,0.12662771571516687,0.05239531217874032,0.5992306901514632,0.5984853676924131,0.3441847714344459
EOS-3-39646,COc1cccc(COc2cncc3nnc(-c4cncc(-c5cc(C)nn5C)c4)n23)n1,WHRZMQCRAWFCTE-UHFFFAOYSA-N,3,1,0.452,92,677,428.456,2.878,5,0.407,0.59,1.0,0.24252107463504902,0.1412600233020355,0.22332259612089644,0.10258892467959702,0.17742315468439449
EOS-3-39647,CCn1nc(C)cc1-c1ccc(-c2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)nc1,CHWHEDVEEQTJGY-UHFFFAOYSA-N,3,1,0.299,61,121,449.44,5.064,5,0.383,0.78,1.0,0.2480553080666164,0.32915838530601055,0.9179888287300391,0.8462236995408128,0.5853565554108697
EOS-3-39648,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)ccn1,OIDFMQOUHNHPHY-UHFFFAOYSA-N,3,1,0.343,69,818,433.5,5.039,6,0.387,0.73,1.0,0.07509766294291001,0.15258549790967035,0.6412942910013022,0.642947707490919,0.3779812898362004
EOS-3-39649,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ncc1-c1cncn1C,SOSAOANTQDUOTN-UHFFFAOYSA-N,3,1,0.38,46,565,448.874,3.223,5,0.364,0.59,1.0,0.527748269481187,0.4287660201494072,0.47829997943938046,0.37926632855870057,0.45352014940716884
EOS-3-39650,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)c5)ns4)n23)cc1,QXORPGMWEQKOKZ-UHFFFAOYSA-N,3,1,0.577,34,929,455.33,5.196,5,0.363,0.81,1.0,0.6039424988006306,0.8785552737989172,0.5571156877527242,0.7537694469193338,0.6983457268179014
EOS-3-39651,CCOc1cccc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)n1,KXIBMLPRSVWCQO-UHFFFAOYSA-N,3,1,0.529,1,61,414.425,3.819,5,0.396,0.78,1.0,0.4320899869782743,0.3775358097457337,0.36607326434103216,0.2284456171612638,0.35103616955657596
EOS-3-39652,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)c1,HDAJPAFSVOKKMZ-UHFFFAOYSA-N,3,1,0.484,2,419,445.433,3.851,5,0.392,0.58,1.0,0.7288739634020972,0.6801024604208074,0.6992152696867933,0.6716897402508396,0.6949703584401343
EOS-3-39653,c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncs6)cn5)n34)cn2)n[nH]1,NHVJKVMCXHOJQG-UHFFFAOYSA-N,3,1,0.375,80,855,455.467,2.464,6,0.397,0.57,1.0,0.42545062024535674,0.415333082036872,0.08226817901446097,0.06682201357000891,0.24746847371667466
EOS-3-39654,CCc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cnc(C)cn1,KKLTZOPHBWQWDU-UHFFFAOYSA-N,3,1,0.398,31,658,439.483,2.926,5,0.377,0.55,0.441,0.3919882119114523,0.24354053868823247,0.05550510588719074,0.03659790281680488,0.18190793982592007
EOS-3-39655,Cc1cc(Cn2ncc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cc5)n34)n2)n(C)n1,ICANXQRMIKETKA-UHFFFAOYSA-N,3,1,0.292,98,882,465.525,2.849,6,0.385,0.61,1.0,0.0732386402576931,0.05240387910355699,0.04977383318483997,0.03240010965663765,0.051954115550681926
EOS-3-39656,O=C1CCC(CNC(=O)c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)c(F)c2)N1,HOMSQQXYROUMQQ-UHFFFAOYSA-N,3,1,0.385,63,568,481.879,1.368,5,0.421,0.6,1.0,0.22058118017956274,0.22810294016859708,0.03338530601055445,0.06857823315742581,0.13766191487903504
EOS-3-39657,c1cc(-c2noc(COc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)sn1,LYEXVVFHIKYEFX-UHFFFAOYSA-N,3,1,0.494,56,8,445.424,2.927,6,0.373,0.58,1.0,0.4071259680625043,0.4013090261119868,0.046329929408539514,0.04941402234253992,0.22604473648139262
EOS-3-39658,Cn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,YERPASXEPJRRKN-UHFFFAOYSA-N,3,1,0.417,31,466,417.408,2.137,5,0.413,0.63,0.998,0.4820437255842643,0.3148002193132753,0.28880816941950516,0.27561510520183674,0.3403168048797204
EOS-3-39659,Fc1cnc(-c2ccnc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c2F)nc1,CAPMCVPQLKIDCB-UHFFFAOYSA-N,3,1,0.366,14,260,451.387,4.45,5,0.367,0.63,1.0,0.5557021451579741,0.6363340415324515,0.9011034199163868,0.8989959564114866,0.7480338907545748
EOS-3-39660,Clc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cn1,PQMHXBDSCJPTMZ-UHFFFAOYSA-N,3,1,0.298,9,725,452.869,3.749,6,0.401,0.56,1.0,0.16248029607292166,0.3097714344458913,0.41369679939688847,0.5113511753820849,0.34932492632444656
EOS-3-39661,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)o5)n34)nc2)nn1,FNLRPFPRQCQZTK-UHFFFAOYSA-N,3,1,0.259,70,387,453.853,4.014,6,0.389,0.61,0.648,0.132453224590501,0.23810054142964843,0.4644986635597286,0.5012165033239668,0.3340672332259612
EOS-3-39662,CCn1cc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,IPVHMEZHZKNYCX-UHFFFAOYSA-N,3,1,0.506,65,349,412.457,3.086,5,0.405,0.76,1.0,0.2506939209101501,0.11086457405249811,0.2663885271742855,0.204972243163594,0.2082298163251319
EOS-3-39663,c1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cscn5)n34)nn2)cc1,SKARRLBZUVFOIU-UHFFFAOYSA-N,3,1,0.262,39,37,424.453,2.953,6,0.424,0.57,0.651,0.0003426769926667124,0.004711808649167295,0.0555136728120074,0.09845109999314645,0.039754814611746965
EOS-3-39664,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,AUMQOBRFBBMQLF-UHFFFAOYSA-N,3,1,0.622,1,951,421.432,4.772,5,0.409,0.72,1.0,0.8905232677678021,0.852434720032897,0.902259954766637,0.8948923994243027,0.8850275854979096
EOS-3-39665,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnccc5Br)n34)cn2)o1,QJHFLWBCEULXKK-UHFFFAOYSA-N,3,1,0.477,55,879,464.283,3.886,5,0.386,0.62,1.0,0.6739942430265232,0.6654444520594888,0.43233842779795767,0.35633267082448083,0.5320274484271126
EOS-3-39666,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nn4)n23)c1,NBFPYLFONARRIA-UHFFFAOYSA-N,3,1,0.353,80,34,467.453,2.489,6,0.341,0.64,0.803,0.2013998355150435,0.08206257281886094,0.06118497704064149,0.04528476458090604,0.097483037488863
EOS-3-39667,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccnnc5)n4)n23)cc1,ULOHXZOFRMNQMC-UHFFFAOYSA-N,3,1,0.43,71,117,463.465,2.413,6,0.362,0.57,1.0,0.36926016037283255,0.17233225961208964,0.16929956822698924,0.14293057364128572,0.2134556404632993
EOS-3-39668,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)cc(Cl)n5)c4)n23)cn1,JJQZVCFIMCNCMD-UHFFFAOYSA-N,3,1,0.312,86,151,472.875,3.627,6,0.361,0.68,0.945,0.014803646083201973,0.1767870605167569,0.4212271263107395,0.4735796038653965,0.2715993591940237
EOS-3-39669,Cn1cnc(-c2ncncc2-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,YIYFGPZPSWUYPV-UHFFFAOYSA-N,3,1,0.433,7,823,419.836,2.609,5,0.4,0.63,1.0,0.4894712494003153,0.4684394489753958,0.28881673634432187,0.30262661914879035,0.3873385134672058
EOS-3-39670,Fc1cc(Cl)cnc1CCOc1cncc2nnc(-c3cnnc(-c4ccccn4)c3)n12,YVOGBFKQJBHCOM-UHFFFAOYSA-N,3,1,0.439,58,778,448.849,3.452,5,0.389,0.55,0.999,0.7257727366184634,0.7463504900280995,0.42123569323555615,0.5012250702487835,0.5986459975327256
EOS-3-39671,Cc1nsc(-c2ccc(Cl)c(-c3nnc4cncc(Oc5cccnc5)n34)c2)n1,OBCDSJGHSVLTRV-UHFFFAOYSA-N,3,1,0.438,13,374,421.873,4.459,5,0.423,0.76,1.0,0.5639692276060585,0.6458861627030361,0.3625265574669317,0.4264700842985402,0.4997130080186416
EOS-3-39672,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)cc(F)n1,ACNOUSCFOBSCNX-UHFFFAOYSA-N,3,1,0.543,97,666,440.41,4.306,5,0.379,0.7,1.0,0.9278065245699404,0.8864282777054349,0.8635631553697485,0.842479953395929,0.8800694777602632
EOS-3-39673,Cc1ccc(-c2nnc3cncc(-c4ccc(F)cc4OCc4ccc(Cl)nc4)n23)cn1,ZQMMTBHSMBBPSE-UHFFFAOYSA-N,3,1,0.367,96,46,446.873,4.928,5,0.356,0.73,1.0,0.5429631279555891,0.680111027345624,0.884800561990268,0.8663902405592488,0.7435662394626825
EOS-3-39674,Fc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ccsc1,KDXKAKSQKWUJFJ-UHFFFAOYSA-N,3,1,0.667,35,393,417.469,4.675,5,0.402,0.77,1.0,0.8990901925844699,0.8810825166198342,0.7997309985607566,0.7878486738400384,0.8419380954012747
EOS-3-39675,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)cn1,OKNQRWHNPVKRCD-UHFFFAOYSA-N,3,1,0.426,18,157,465.851,4.196,5,0.347,0.69,1.0,0.827676307312727,0.8014358165992735,0.841811733260229,0.8564526077719142,0.8318441162360359
EOS-3-39676,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)cn1,FXFQLZXEKCYXEG-UHFFFAOYSA-N,3,1,0.494,75,99,448.849,3.718,5,0.375,0.59,1.0,0.7956959769721061,0.6947433349324926,0.6143513124528819,0.5769224179288602,0.6704282605715852
EOS-3-39677,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncon6)cn5)n34)cn2)cn1,SJDLXIYRURAENT-UHFFFAOYSA-N,3,1,0.419,80,277,451.41,2.062,6,0.364,0.59,1.0,0.38080837502570075,0.320120279624426,0.07995510931396066,0.06858680008224248,0.21236764101158248
EOS-3-39678,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)cc1,IXTYDPQAODGRNJ-UHFFFAOYSA-N,3,1,0.597,97,183,420.885,4.542,5,0.415,0.71,1.0,0.746933040915633,0.7372695497224316,0.6143598793776985,0.6864077170858749,0.6962425467754094
EOS-3-39679,COc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cscn1,FCFYFERHZYQWFP-UHFFFAOYSA-N,3,1,0.524,35,657,431.481,3.335,5,0.387,0.62,1.0,0.4115379343430882,0.23810910835446508,0.2233311630457131,0.14548351723665273,0.2546154307449798
EOS-3-39680,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccnn5)ns4)n23)cc1,XWKVRDFOBPDEIS-UHFFFAOYSA-N,3,1,0.436,71,415,469.494,2.474,6,0.358,0.67,1.0,0.3092317181824412,0.2329946542389144,0.025315262833253374,0.02480124734425331,0.14808572064971556
EOS-3-39681,COc1cc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)ccc1-c1ccccn1,BIJDYVSHHMLARC-UHFFFAOYSA-N,3,1,0.477,97,383,462.872,4.628,5,0.363,0.69,1.0,0.9399201562607087,0.8390788842437119,0.8386933726269619,0.794899252964156,0.8531479165238846
EOS-3-39682,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)cnn2)c1,PJLSBEUSWRLSFP-UHFFFAOYSA-N,3,1,0.551,37,361,414.404,2.799,5,0.418,0.66,1.0,0.7816890548968543,0.7591751764786512,0.45051744225892676,0.4857360701802481,0.6192794359536701
EOS-3-39683,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccc(C)cn1,FHYLXFWVPLWQLE-UHFFFAOYSA-N,3,1,0.448,49,501,457.469,3.721,5,0.365,0.6,1.0,0.6892690699746419,0.5317233225961209,0.43592796929614147,0.3153570694263587,0.4930693578233158
EOS-3-39684,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nc1,WNWIZPQLMXOULG-UHFFFAOYSA-N,3,1,0.387,6,318,453.491,3.898,6,0.387,0.63,1.0,0.4254591871701734,0.314808786238092,0.2307586868617641,0.17680419436639025,0.28695771365910494
EOS-3-39685,COc1cc(Cl)ccc1-c1nnc2cncc(OCc3cccc(-c4cncc(C)n4)c3)n12,BZOJTPJYLGNFFJ-UHFFFAOYSA-N,3,1,0.5,97,521,458.909,4.798,5,0.361,0.73,1.0,0.8014529504489069,0.7720683983277363,0.7276317593036804,0.6542731820985539,0.7388565725447194
EOS-3-39686,c1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)s2)c1,SSLDQQSHADCPFH-UHFFFAOYSA-N,3,1,0.416,6,584,455.467,2.464,6,0.397,0.59,1.0,0.37386916592419983,0.4420019189911589,0.05356898087862381,0.05063052566650675,0.23001764786512233
EOS-3-39687,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5)c4)n23)cc1Cl,FQKPZTXQXJZPBJ-UHFFFAOYSA-N,3,1,0.757,91,222,445.885,5.267,5,0.356,0.81,1.0,0.930445137413474,0.9350541429648414,0.9198478514152559,0.9332893564526078,0.9296591220615448
EOS-3-39688,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncs5)c4)n23)cn1,CEHQCVRYATWINS-UHFFFAOYSA-N,3,1,0.418,6,843,468.506,3.079,6,0.363,0.66,1.0,0.3964001781920362,0.31481735316290865,0.14143992872318553,0.12073367144129943,0.24334778287985748
EOS-3-39689,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)c(F)n3)n12,NDKGTHQEBDSWFW-UHFFFAOYSA-N,3,1,0.473,18,773,431.406,3.543,5,0.38,0.58,1.0,0.841965937906929,0.7463590569529162,0.6203995613734494,0.6281097937084504,0.7092085874854362
EOS-3-39690,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnc(F)cn3)n12,XBHPZZHMHBACOJ-UHFFFAOYSA-N,3,1,0.391,63,437,405.393,2.288,5,0.543,0.89,1.0,0.3243866081831266,0.2996624631622233,0.15038379823178671,0.1583167706120211,0.23318741004728943
EOS-3-39691,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)ncn2)n1C,OJTNYUGBWARKFA-UHFFFAOYSA-N,3,1,0.523,36,404,417.408,2.403,5,0.429,0.61,1.0,0.3644541155506819,0.45969261873757794,0.09206874100472895,0.11384586388869851,0.2575153347954218
EOS-3-39692,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccc2F)cn1,UULFPCDJZPHEIO-UHFFFAOYSA-N,3,1,0.56,35,545,434.5,4.497,5,0.377,0.69,1.0,0.57496915907066,0.5643033376739086,0.5770594887259269,0.5315948187238709,0.5619817010485917
EOS-3-39693,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc2F)nc1,KDEZQHSHMYDJPT-UHFFFAOYSA-N,3,1,0.418,58,954,462.876,3.761,5,0.351,0.65,0.946,0.7928089233088891,0.7848845178534714,0.31801281611952575,0.35011308340758,0.5614548351723665
EOS-3-39695,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nc1,FYLKRIDNEDCMTQ-UHFFFAOYSA-N,3,1,0.58,4,71,450.861,4.83,5,0.378,0.73,1.0,0.7377064628880817,0.8493249263244466,0.717043040230279,0.6864162840106915,0.7476226783633748
EOS-3-39696,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nc1,WDYUHTYBLYXYLX-UHFFFAOYSA-N,3,1,0.451,65,65,449.837,2.847,5,0.36,0.55,1.0,0.7615139469536015,0.7186279213213624,0.32160235761770956,0.38547734905078473,0.5468053937358646
EOS-3-39697,Cc1ncc(Cl)nc1-c1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1F,SHRJEWNDACFGPJ-UHFFFAOYSA-N,3,1,0.584,11,796,461.888,4.366,5,0.371,0.64,0.999,0.9456000274141594,0.9162069083681722,0.5370690836817216,0.5545541772325406,0.7383575491741484
EOS-3-39698,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3nccc(-c4ccccn4)n3)n12,KUEHCTVVGMKUPH-UHFFFAOYSA-N,3,1,0.447,24,786,450.384,3.694,5,0.361,0.63,1.0,0.7615225138784182,0.8390874511685286,0.6143684463025153,0.5378915084641217,0.6882174799533959
EOS-3-39699,Cn1c(-c2ccc(Cl)c(F)c2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1=O,OJBYFKDXDIPMSB-UHFFFAOYSA-N,3,1,0.6,11,393,476.899,3.966,5,0.368,0.69,1.0,0.6039510657254472,0.6313138235898842,0.8034661777808237,0.8099941744911247,0.71218131039682
EOS-3-39700,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cc1,KGILCRGROVTKLD-UHFFFAOYSA-N,3,1,0.289,10,543,470.859,3.684,6,0.358,0.64,0.304,0.00879823178671784,0.13755054485641835,0.4070402988143376,0.5707028305119595,0.2810229764923583
EOS-3-39701,Cc1nccnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)nn1C,IUOQLAOIQKLZKB-UHFFFAOYSA-N,3,1,0.471,31,569,413.445,2.307,5,0.417,0.74,0.999,0.26649133027208555,0.0820711397436776,0.05723562470015763,0.045293331505722706,0.11277285655541086
EOS-3-39702,Cc1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccnc5F)c4)n23)cc1F,NMSNIHDXRVJEHK-UHFFFAOYSA-N,3,1,0.343,14,358,414.419,4.426,5,0.407,0.8,1.0,0.40061510520183674,0.45970118566239465,0.8719930093893496,0.8583030635323144,0.6476530909464738
EOS-3-39703,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnn5)n4)n23)cc1,LRWZVALRTMAHCV-UHFFFAOYSA-N,3,1,0.438,89,398,483.467,2.649,6,0.371,0.7,1.0,0.4695788499760126,0.2127424439723117,0.1471883352751696,0.1741570145980399,0.25091666095538345
EOS-3-39704,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cs2)n1,BUAUCAIIOSULEH-UHFFFAOYSA-N,3,1,0.462,7,185,454.878,3.78,5,0.395,0.63,1.0,0.5981169899252964,0.5643119045987253,0.37392913439791653,0.4201905284079227,0.4891371393324653
EOS-3-39705,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnc2Cl)nc1,HCTLYCZOCOQTQU-UHFFFAOYSA-N,3,1,0.506,65,491,448.849,3.452,5,0.364,0.59,1.0,0.9022428209170036,0.9302223973682407,0.4505260091837434,0.49163011445411553,0.6936553354807757
EOS-3-39706,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)n1,WYOHERYZDCHYPP-UHFFFAOYSA-N,3,1,0.307,10,871,456.922,4.816,6,0.378,0.69,0.525,0.04379411966280584,0.21275101089712836,0.42508224247824,0.5707113974367761,0.3130846926187376
EOS-3-39707,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)nn2)n(C)n1,RKVIMCPDTVUJIW-UHFFFAOYSA-N,3,1,0.372,53,105,469.391,2.073,5,0.376,0.58,1.0,0.36926872729764926,0.38682235624700156,0.2994996915907066,0.18806113357549173,0.3109129771777123
EOS-3-39709,Fc1cc(C(F)F)ccc1-c1nnc2cncc(Cc3ccc(-c4ccc(Cl)nn4)nc3)n12,MBKBDZFYDXCJTF-UHFFFAOYSA-N,3,1,0.327,14,81,467.842,4.964,5,0.363,0.73,0.998,0.4721060927969296,0.6606384072373381,0.9369817010485916,0.9403313686519087,0.752514392433692
EOS-3-39710,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cncs5)ccn4)n23)c1F,UVHWDVRQIUEFIB-UHFFFAOYSA-N,3,1,0.448,59,160,422.42,4.167,5,0.423,0.67,1.0,0.6678003563840724,0.5317318895209375,0.8191008155712426,0.8077325063395243,0.7065913919539442
EOS-3-39711,Clc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)nc1,YGWVVKCAESZLCO-UHFFFAOYSA-N,3,1,0.451,65,65,466.292,3.362,5,0.347,0.61,1.0,0.695223082722226,0.6849427729422246,0.3216109245425262,0.4296912480296073,0.532867007059146
EOS-3-39712,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,UAPBZXCAEKKVJR-UHFFFAOYSA-N,3,1,0.316,42,327,453.853,4.014,6,0.389,0.6,1.0,0.2664998971969022,0.35849153587828114,0.5061253512439174,0.5511616750051401,0.42056961483106026
EOS-3-39713,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cc(F)ncc4Cl)n23)c1,BNIFTUVNQVYUHU-UHFFFAOYSA-N,3,1,0.402,2,905,450.865,3.836,5,0.363,0.65,0.999,0.5639777945308752,0.5364693989445548,0.6586337468302378,0.6281183606332671,0.5967998252347336
EOS-3-39714,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nc6nncC6CC5)ccc4F)n23)cc1,UBCIRNJPKMIKIL-UHFFFAOYSA-N,3,1,0.374,0,21,452.453,3.293,6,0.51,0.59,0.853,0.26117983688575147,0.2176427249674457,0.09915358782811322,0.10044719347543006,0.16960583578918512
EOS-3-39715,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccccc5)c4)n23)c(F)c1F,VLHCGMIDIAZRCQ-UHFFFAOYSA-N,3,1,0.512,57,962,433.393,4.85,5,0.371,0.75,1.0,0.8941385100404359,0.8864368446302515,0.9691333698855459,0.9664947570420122,0.9290508703995614
EOS-3-39716,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)ccc2F)cn1,HXLHUCYQFCRLMK-UHFFFAOYSA-N,3,1,0.727,88,222,462.435,4.596,5,0.367,0.69,1.0,0.9868840381056816,0.9852563223905147,0.9313446645192242,0.9083339044616544,0.9529547323692688
EOS-3-39717,Cc1cnc(-c2nnc3cncc(-c4ccc(C(=O)N5C(C)CCC5C)cc4)n23)s1,ITGQTVJAAVABOQ-UHFFFAOYSA-N,3,1,0.337,0,782,418.526,4.236,5,0.497,0.62,1.0,0.05653313686519087,0.01809334521280241,0.047906243574806384,0.06348091289150846,0.046503409636077034
EOS-3-39718,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncc(Cl)cn6)n5)n34)cc2)n1C,VEUYEHCBUARPMH-UHFFFAOYSA-N,3,1,0.301,98,618,469.9,3.191,6,0.386,0.57,1.0,0.0467325748749229,0.1723408265369063,0.10440511274073058,0.13586286066753478,0.11483534370502364
EOS-3-39719,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cncnc6)cnn5)n34)cn2)cn1,QGDASYGAABZAGM-UHFFFAOYSA-N,3,1,0.396,80,277,461.449,2.469,6,0.361,0.57,1.0,0.36231238434651497,0.34871667466246314,0.23779213213624836,0.20498081008841065,0.2884505003084093
EOS-3-39720,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)nc(C)n1,REFVIXBCMCPOSP-UHFFFAOYSA-N,3,1,0.46,46,758,410.441,3.234,5,0.435,0.76,1.0,0.3040915632924405,0.15655198409978754,0.16290864231375504,0.11839490096634912,0.18548677266808306
EOS-3-39721,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(C)nc5)c4)n23)cc1F,DZEYDMHUQVYNDI-UHFFFAOYSA-N,3,1,0.511,59,788,487.47,3.774,5,0.389,0.87,1.0,0.7288825303269139,0.43787266122952506,0.7615824823521349,0.6312110204920841,0.6398871736001644
EOS-3-39722,Cc1cc(F)cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)c1,NSCUKVYLYZWMOG-UHFFFAOYSA-N,3,1,0.5,97,183,446.873,4.928,5,0.381,0.68,1.0,0.8689860187786992,0.7550630525666506,0.8785295730244671,0.8796861078747172,0.8455661880611335
EOS-3-39723,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)cc1,QUSGPUIIYHQFCP-UHFFFAOYSA-N,3,1,0.273,30,737,416.448,4.101,6,0.43,0.67,0.637,0.010091837434034679,0.021879925981769584,0.3252175998903434,0.42969981495442394,0.1967222945651429
EOS-3-39724,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)c(F)n1,OFUDDHBPXIAENN-UHFFFAOYSA-N,3,1,0.433,36,602,436.386,1.671,5,0.366,0.54,0.989,0.5639863614556919,0.49073058734836544,0.08980707285312864,0.10680385168939757,0.3128319683366459
EOS-3-39725,Fc1ccc(-c2nnc3cncc(Cc4cnc(-c5cncnc5)cn4)n23)c(F)c1F,DWMHUASDYSXMHR-UHFFFAOYSA-N,3,1,0.32,85,674,420.358,3.046,5,0.413,0.57,1.0,0.4137482009457885,0.6029915701459804,0.7868035090124049,0.7903073812624221,0.648462665341649
EOS-3-39726,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)o1,AMOMRMZAEATKDS-UHFFFAOYSA-N,3,1,0.309,64,885,449.449,5.018,6,0.373,0.72,0.999,0.25326399835515045,0.3533599479130971,0.4137053663217052,0.5047118086491673,0.38126028030978004
EOS-3-39727,Clc1ncccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cnn1,WCPVZECQEYSSLE-UHFFFAOYSA-N,3,1,0.28,70,719,453.857,3.144,6,0.399,0.53,0.552,0.1904170379000754,0.309780001370708,0.3032177369611404,0.37589952710575014,0.29482857583441846
EOS-3-39728,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cccnn5)c(F)cn4)n23)ccn1,MWQRUILWULUDOV-UHFFFAOYSA-N,3,1,0.541,4,43,414.404,3.065,5,0.432,0.68,1.0,0.615096634911932,0.5047375094236173,0.4748218079638133,0.41051847028990474,0.5012936056473168
EOS-3-39729,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ncc[nH]6)nc5)n34)s2)n(C)n1,MSWMYBSPYBQEGJ-UHFFFAOYSA-N,3,1,0.238,99,489,441.484,2.804,6,0.442,0.54,0.992,0.020149407168802688,0.056233294496607494,0.016242889452402164,0.013073127270235076,0.026424679597011856
EOS-3-39730,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccccc5F)c4)n23)cc1Cl,CUXDRIFTXCWYRE-UHFFFAOYSA-N,3,1,0.541,59,469,450.836,4.759,5,0.384,0.65,1.0,0.7957045438969228,0.8390960180933452,0.9170807346994723,0.9309420190528408,0.8707058289356453
EOS-3-39731,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(C)n5)n34)cnc2Cl)cn1,HIRAPASVIYOFBZ-UHFFFAOYSA-N,3,1,0.459,87,552,458.913,3.93,5,0.352,0.67,1.0,0.6585737783565211,0.767947707490919,0.31033685148379136,0.2756236721266534,0.5031205023644713
EOS-3-39732,Fc1cc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCc4cccnc4Cl)n23)c1,DNQMJUVGWHQUHS-UHFFFAOYSA-N,3,1,0.518,97,439,450.836,4.759,5,0.359,0.7,1.0,0.8713419231032828,0.8988588856144198,0.9357394969501748,0.9419076828181756,0.9119619971215132
EOS-3-39733,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)c2)on1,YCPATSLAGKILPK-UHFFFAOYSA-N,3,1,0.494,2,419,421.367,3.402,5,0.425,0.62,1.0,0.5723476800767596,0.5090895072304845,0.6775752175998904,0.6076776780206977,0.5916725207319581
EOS-3-39734,COc1nc(-c2cccc(C#N)n2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,HLFGTVDZEQGEBM-UHFFFAOYSA-N,3,1,0.429,49,710,451.45,2.54,5,0.363,0.57,0.999,0.612363785895415,0.42877458707422383,0.1321619491467343,0.08676581454321157,0.31501653416489617
EOS-3-39735,Cn1cnnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,DOTDMOVOSBMBOV-UHFFFAOYSA-N,3,1,0.42,33,344,485.483,2.592,6,0.373,0.78,1.0,0.4047443629634706,0.2738503186896032,0.13843293811253513,0.1661640737440888,0.24579792337742443
EOS-3-39736,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)[nH]2)n1,MNAHRIFCSJTCQA-UHFFFAOYSA-N,3,1,0.325,3,787,451.881,4.354,6,0.396,0.66,0.99,0.18754711808649166,0.3148259200877253,0.42509080940305666,0.5511702419299568,0.36965852237680763
EOS-3-39737,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cn1,JABCOYFRCJEKGK-UHFFFAOYSA-N,3,1,0.433,18,466,419.445,3.465,5,0.389,0.68,1.0,0.5954526763073127,0.5643204715235419,0.4541498183811939,0.46425022274004524,0.5195432972380234
EOS-3-39738,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)ncn2)n(C)n1,BDGSENNTLWVDJJ-UHFFFAOYSA-N,3,1,0.517,4,463,416.42,3.008,5,0.435,0.65,1.0,0.41594990062367215,0.4907391542731821,0.3142005345761086,0.2844904393119046,0.37634500719621683
EOS-3-39739,CCc1nc(-c2cncc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)no1,TUUDANCSEOJHAT-UHFFFAOYSA-N,3,1,0.427,2,995,419.832,4.244,5,0.416,0.72,1.0,0.4229662120485231,0.5317404564457542,0.25915804262901787,0.3404495922143787,0.38857857583441846
EOS-3-39740,Cc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cc5)n34)n2)nn1,MPILQFRUVCPNNJ-UHFFFAOYSA-N,3,1,0.322,98,167,461.493,3.118,6,0.389,0.54,1.0,0.135006168185868,0.04879720375573984,0.0920773079295456,0.0780275512302104,0.08847705777534096
EOS-3-39741,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nn2C)c(C)n1,FRCRAYFRTXUUAR-UHFFFAOYSA-N,3,1,0.43,31,569,445.462,2.754,5,0.367,0.61,1.0,0.39851620862175313,0.2842676992666712,0.16291720923857173,0.11840346789116579,0.2410261462545405
EOS-3-39742,Cc1nnc(-c2cc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)ncn2)o1,JLERDJOBLFEGGK-UHFFFAOYSA-N,3,1,0.444,7,185,422.796,1.962,5,0.383,0.59,1.0,0.42297477897333974,0.531749023370571,0.0514957850729902,0.05455417723254061,0.2651934411623604
EOS-3-39743,c1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnno6)ncn5)n34)nc2)ccn1,KLVZADPDZJGSRU-UHFFFAOYSA-N,3,1,0.259,70,957,420.396,2.755,6,0.419,0.62,1.0,0.060028442190391336,0.03190322801727092,0.244868412034816,0.2668768418888356,0.15091923103282845
EOS-3-39744,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc(C)n2)nn1,ITQJMTGKHTXZDT-UHFFFAOYSA-N,3,1,0.39,31,954,459.901,3.325,5,0.352,0.62,0.989,0.5196096909053526,0.48609588102254814,0.10956240148036461,0.12310670961551641,0.30959367075594546
EOS-3-39745,Cc1ccccc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cnccn4)n23)nc1,MRXBFLOIIFRFMU-UHFFFAOYSA-N,3,1,0.299,32,327,442.486,4.681,6,0.391,0.64,1.0,0.11591049276951546,0.09473305462271263,0.48194092248646425,0.49163868137893224,0.2960557878144061
EOS-3-39746,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)cc1=O,SALAYEKRSGBLSM-UHFFFAOYSA-N,3,1,0.469,15,490,477.887,3.361,5,0.369,0.68,1.0,0.5583493249263245,0.4956565691179494,0.5992392570762799,0.6044222465903639,0.5644168494277294
EOS-3-39747,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cnn1,BQLODZLGXRHKID-UHFFFAOYSA-N,3,1,0.529,35,393,414.404,2.799,5,0.418,0.69,1.0,0.6678089233088891,0.6654530189843054,0.37786135288876704,0.3888355835789185,0.52498971969022
EOS-3-39748,Cc1cc(F)c(-c2nnc3cncc(OCc4ncc(-c5ncccn5)s4)n23)cn1,WXLDSMOQPRTZBU-UHFFFAOYSA-N,3,1,0.512,7,242,420.433,3.126,5,0.427,0.65,1.0,0.5698033034062093,0.6458947296278528,0.13513467205811802,0.13587142759235146,0.3716760331711329
EOS-3-39750,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cc2)n1,MAWGDHBVAKCLIJ-UHFFFAOYSA-N,3,1,0.346,96,856,410.828,3.835,5,0.445,0.77,1.0,0.3194777602631759,0.49074772119799875,0.5992478240010966,0.6745767939140566,0.521012524844082
EOS-3-39751,Cc1cnc(COc2cncc3nnc(-c4cc(-c5cnc(C)nc5)ncn4)n23)cn1,ACEOFTZVWDPXEZ-UHFFFAOYSA-N,3,1,0.365,7,113,412.417,2.024,5,0.422,0.71,0.986,0.33201117126996094,0.14867041326845315,0.08227674593927764,0.041532451511205534,0.15112269549722432
EOS-3-39752,OCc1cc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)ccn1,UXBHGRZMVVTPQA-UHFFFAOYSA-N,3,1,0.483,24,912,417.454,2.776,5,0.449,0.67,1.0,0.4159584675484888,0.34401343293811254,0.2888253032691385,0.2167860324857789,0.3163958090603797
EOS-3-39753,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)nc1,ILTHNGPUGYICCK-UHFFFAOYSA-N,3,1,0.35,64,318,465.452,3.975,6,0.376,0.64,1.0,0.4483671441299431,0.382273319169351,0.41371393324652184,0.40390480433143716,0.41206480021931324
EOS-3-39754,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)ccn2)cc1,AHWUMTZMLWUCIQ-UHFFFAOYSA-N,3,1,0.535,11,795,465.851,4.196,5,0.347,0.7,1.0,0.9428671783976423,0.9302309642930574,0.677583784524707,0.7537780138441506,0.8261149852648892
EOS-3-39755,Clc1cc(CCOc2cncc3nnc(-c4cnnc(-c5ccccn5)c4)n23)ccn1,AAPNNRDGRWFZQP-UHFFFAOYSA-N,3,1,0.495,58,578,430.859,3.313,5,0.378,0.58,1.0,0.710386539647728,0.7324806387499143,0.3887756151052018,0.43284387636214106,0.5661216674662463
EOS-3-39756,Cc1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1ncc(Cl)cn1,FIJYZHXBIORPCA-UHFFFAOYSA-N,3,1,0.565,35,509,461.888,4.366,5,0.371,0.63,1.0,0.9347628675210746,0.9288259886231238,0.6615122335686382,0.6658213967514222,0.7977306216160647
EOS-3-39757,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nncs5)cc(F)c4F)n23)nc1,CJQVTMGKESHSHT-UHFFFAOYSA-N,3,1,0.384,46,348,480.46,2.922,5,0.394,0.64,0.999,0.48205229250908094,0.29472791446782265,0.46109759440751147,0.3632033445274484,0.4002702864779659
EOS-3-39758,Cc1ccc(-c2nnc3cncc(-c4cc(F)ncc4Oc4ccc(Cl)cc4)n23)cn1,OZNBAYBBZGIKQY-UHFFFAOYSA-N,3,1,0.365,96,586,432.846,5.142,5,0.366,0.77,0.958,0.4968816393667329,0.6509577821945035,0.8760451648276335,0.8782896991296004,0.7255435713796176
EOS-3-39759,Cc1cc(-c2nnc3cncc(-c4ccc(F)cc4F)n23)ccc1C(=O)NC1CC1,CXXDPUADUCDHPH-UHFFFAOYSA-N,3,1,0.341,0,999,405.408,3.937,5,0.558,0.9,1.0,0.3485967377150298,0.3440219998629292,0.6204081282982661,0.7143787266122953,0.5068513981221301
EOS-3-39760,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)s1,GMXKPUQAOIHIHS-UHFFFAOYSA-N,3,1,0.59,75,241,416.47,3.03,5,0.416,0.71,1.0,0.5351929271468714,0.3629035021588651,0.07564594613117676,0.0742495373860599,0.2619979782057433
EOS-3-39761,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)cn1,MSLISSMUGSMXNZ-UHFFFAOYSA-N,3,1,0.482,18,529,418.457,4.07,5,0.387,0.72,1.0,0.7319152217120143,0.6849513398670414,0.5864317044753615,0.5769309848536769,0.6450573127270235
EOS-3-39762,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccccc1F,YYXNHADPWBIGOL-UHFFFAOYSA-N,3,1,0.575,91,955,459.456,4.762,5,0.327,0.77,1.0,0.9711894318415462,0.9140994448632719,0.9022685216914537,0.8583116304571311,0.9114672572133508
EOS-3-39763,CCn1cncc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5cncs5)n4)n23)c(F)c1,MUCJIUCPYYZZSA-UHFFFAOYSA-N,3,1,0.292,29,136,470.497,3.789,6,0.374,0.63,0.972,0.30410013021725724,0.3585001028030978,0.20235076416969364,0.21941607840449592,0.2710917688986362
EOS-3-39764,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)nc(CF)n1,CHKTUPCUWNURSW-UHFFFAOYSA-N,3,1,0.389,31,330,456.894,3.745,5,0.384,0.61,0.922,0.429956822698924,0.4287831539990405,0.20235933109451032,0.2430265231992324,0.32603145774792675
EOS-3-39765,c1cc(-c2cnccn2)cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)s4)n23)c1,BFIOVHNXBHESRA-UHFFFAOYSA-N,3,1,0.28,32,327,433.5,5.039,6,0.387,0.74,1.0,0.11322904530189844,0.09778287985744637,0.5704886573915428,0.6013638544308135,0.3457161092454253
EOS-3-39766,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)cn2)c1,WMNWCRXYYKGCFD-UHFFFAOYSA-N,3,1,0.337,32,191,433.5,5.039,6,0.387,0.74,1.0,0.14016345692550203,0.24354910561304913,0.5540230278939072,0.567515934480159,0.3763128812281543
EOS-3-39767,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(C(F)(F)F)cn5)n4)n23)s1,OIFHQWVSHVYXIJ-UHFFFAOYSA-N,3,1,0.265,50,542,485.455,3.264,5,0.406,0.71,0.162,0.048240353642656435,0.04155815228565554,0.4323469947227743,0.31536563635117537,0.2093777842505654
EOS-3-39768,Clc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)c1,AJJLTOQOMVZOQK-UHFFFAOYSA-N,3,1,0.527,19,207,464.316,4.572,5,0.34,0.71,1.0,0.6802823658419573,0.7232112260982798,0.7068226989239943,0.8100027414159413,0.7300797580700432
EOS-3-39769,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cc1F,WQIABKTWPBHSGG-UHFFFAOYSA-N,3,1,0.426,7,408,483.467,2.649,6,0.371,0.75,1.0,0.46222842848331164,0.2894421218559386,0.19550579124117606,0.21403604961962855,0.29030309780001373
EOS-3-39770,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)nn2C)nc1,YXGHVIZBLKZWMT-UHFFFAOYSA-N,3,1,0.344,31,694,419.836,3.131,5,0.437,0.63,1.0,0.3530172709204304,0.33381022548146116,0.09421903913371256,0.11140429031594819,0.22311270646288808
EOS-3-39771,Fc1cc(-c2ccc(CCc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)c(F)cn1,VIJFRQRYYSLWPJ-UHFFFAOYSA-N,3,1,0.394,14,358,448.864,4.965,5,0.355,0.74,1.0,0.5557107120827908,0.832242478240011,0.8893410321431019,0.9203961346035228,0.7994225892673567
EOS-3-39772,OCCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)cn1,TVYLXPLKRWBUMU-UHFFFAOYSA-N,3,1,0.489,65,658,441.455,1.59,5,0.378,0.61,1.0,0.3899492838050853,0.3201288465492427,0.084923925707628,0.06859536700705915,0.21589935576725378
EOS-3-39773,COCc1ncc(-c2nnc3cncc(Cc4ccc(-c5ccccc5)nn4)n23)cn1,LITACTJQXJZEPU-UHFFFAOYSA-N,3,1,0.337,14,81,410.441,2.776,5,0.421,0.78,1.0,0.20694263587142758,0.10413953807141388,0.12631073949695018,0.13587999451716812,0.14331822698923993
EOS-3-39774,Fc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1F,XMFZDOMBROUGAL-UHFFFAOYSA-N,3,1,0.59,75,496,436.447,4.21,5,0.371,0.66,1.0,0.7675536289493523,0.7048351723665273,0.7453652936741827,0.716811733260229,0.7336414570625728
EOS-3-39775,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)c1,VWCCWXJWHXHWTQ-UHFFFAOYSA-N,3,1,0.372,69,30,451.49,5.178,6,0.367,0.76,1.0,0.22621821670893016,0.3961517373723528,0.7144301281611952,0.7715458159139196,0.5270864745390995
EOS-3-39776,Fc1cc(-c2nccs2)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,OANDLYMORMHFII-UHFFFAOYSA-N,3,1,0.302,32,174,451.49,5.178,6,0.367,0.76,1.0,0.18193578233157426,0.32013741347405933,0.7170516071550956,0.7382718799259818,0.4893491707216778
EOS-3-39777,CCn1ncnc1-c1cnc(-c2nnc3cncc(OCc4ccns4)n23)cc1Cl,XANYDEATGKQEGJ-UHFFFAOYSA-N,3,1,0.402,92,62,439.892,3.154,5,0.397,0.58,1.0,0.32173086148995955,0.33887327804811185,0.04791481049962305,0.08319340689466109,0.1979280892330889
EOS-3-39778,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)cs1,WVTVGKDMJGKBHM-UHFFFAOYSA-N,3,1,0.411,46,395,441.929,4.307,5,0.401,0.63,0.999,0.4869868412034816,0.5047460763484339,0.21640052086902886,0.24862929202933315,0.3641906826125694
EOS-3-39779,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)c(Cl)c4)n23)c1F,MFJTZZUEPCDDIB-UHFFFAOYSA-N,3,1,0.583,35,265,464.863,4.801,5,0.359,0.71,1.0,0.9543896922760606,0.9617229799191283,0.9237372352820231,0.9342831197313413,0.9435332568021384
EOS-3-39780,CCOC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4Oc4ccc(F)cc4F)n23)nc1,IJEPXGFDJXJSNG-UHFFFAOYSA-N,3,1,0.297,96,586,474.427,4.496,5,0.332,0.82,0.993,0.4461140429031595,0.4378812281543417,0.634851963539168,0.5349273524775546,0.5134436467685559
EOS-3-39781,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc2Cl)n1,ZFKXIWAZSYRJQJ-UHFFFAOYSA-N,3,1,0.703,59,96,470.295,4.612,5,0.373,0.72,1.0,0.8734065519840998,0.8836611609896512,0.862183880474265,0.8880645603454184,0.8768290384483586
EOS-3-39782,COc1nc(-c2cccc(F)n2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,QYGSOBYGNRREJS-UHFFFAOYSA-N,3,1,0.5,58,710,461.432,3.552,5,0.339,0.65,1.0,0.8298351723665273,0.6606469741621548,0.5436227811664724,0.4642587896648619,0.6245909293400042
EOS-3-39783,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccccn1,XKLQQWDPESEFSF-UHFFFAOYSA-N,3,1,0.539,11,729,458.909,4.532,5,0.331,0.73,1.0,0.9100815571242546,0.8210198067301762,0.6937667055033925,0.6252998423685834,0.7625419779316017
EOS-3-39784,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1-c1cccc(F)n1,OLAVXLIKQKQCPQ-UHFFFAOYSA-N,3,1,0.379,95,564,454.828,3.492,5,0.375,0.62,1.0,0.464849907477212,0.42879172092385714,0.6381073949695018,0.677609485299157,0.5523396271674319
EOS-3-39785,COc1nc(-n2cnnn2)cc(Cl)c1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,XRACILHGNPKVEA-UHFFFAOYSA-N,3,1,0.371,46,915,471.268,2.451,5,0.364,0.62,1.0,0.3714618600507162,0.36291206908368173,0.17578473031320677,0.24303509012404906,0.28829843739291344
EOS-3-39786,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccc(F)nc4)n23)cc1F,RWECQHRUQZHPSB-UHFFFAOYSA-N,3,1,0.434,16,788,474.431,2.86,5,0.373,0.62,1.0,0.598125556850113,0.41534164896168874,0.4783085463641971,0.3918768418888356,0.47091314851620864
EOS-3-39787,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5nnc(-c6ccon6)cc5F)n34)cn2)nn1,BYUVTFNIGNNJDZ-UHFFFAOYSA-N,3,1,0.362,6,887,468.412,3.328,6,0.367,0.62,0.997,0.6465372489891029,0.5364779658693716,0.19207902131450894,0.17416558152285655,0.38731495442396
EOS-3-39788,FCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cscn5)n34)c(F)c2)o1,USYGYCGHFPVECU-UHFFFAOYSA-N,3,1,0.586,37,563,441.423,3.528,5,0.378,0.62,1.0,0.7319237886368309,0.6998235213487767,0.20959838256459462,0.23124700157631417,0.4681481735316291
EOS-3-39789,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4scnc4-c4cccc(Cl)c4)n23)cn1,WSZIKTTZXWGSBY-UHFFFAOYSA-N,3,1,0.345,10,522,471.937,4.426,6,0.375,0.73,0.978,0.14571482420670276,0.25832705092180114,0.23780069906106505,0.3632119114522651,0.2512636214104585
EOS-3-39790,Cc1nc(COc2cncc3nnc(-c4cncc(-c5cnsc5)c4)n23)ccc1F,KTPXBRMHOIXUJS-UHFFFAOYSA-N,3,1,0.524,2,419,419.445,3.731,5,0.429,0.67,1.0,0.46706874100472895,0.477434720032897,0.5200980056199027,0.4611061613323281,0.4814269069974642
EOS-3-39791,c1cc(-c2nncs2)nc(-c2cncc3nnc(-c4ccc(-c5ccoc5)cc4)n23)c1,NRZLZLFAGIJQQJ-UHFFFAOYSA-N,3,1,0.324,38,865,423.461,4.632,6,0.408,0.69,1.0,0.11323761222671509,0.14867898019326983,0.39619457199643615,0.4517853471317936,0.27747412788705367
EOS-3-39792,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cc4)n23)cc1,BNUPRADKPLHFNS-UHFFFAOYSA-N,3,1,0.771,1,640,451.458,5.095,5,0.343,0.82,1.0,0.9535415667192104,0.8864454115550682,0.9313532314440408,0.8935645260777192,0.9162261839490097
EOS-3-39793,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)nn1,SNKUKVNVFTVBBI-UHFFFAOYSA-N,3,1,0.557,37,626,462.876,3.761,5,0.351,0.62,1.0,0.9369817010485916,0.9393461722979919,0.579972243163594,0.6013724213556302,0.7644181344664518
EOS-3-39794,Cc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)n1,IJZNWKMJTKGYTI-UHFFFAOYSA-N,3,1,0.5,15,438,412.457,2.912,5,0.423,0.75,1.0,0.37147042697553284,0.2435576725378658,0.17897162634500718,0.13382393256116784,0.23195591460489343
EOS-3-39795,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)c(C)n1,FLJWPGGMTBYSFD-UHFFFAOYSA-N,3,1,0.43,31,569,461.917,3.269,5,0.354,0.66,1.0,0.38306147625248443,0.3338187924062778,0.15976458090603796,0.14293914056610238,0.2548959975327257
EOS-3-39796,FC(F)c1ccc(-c2nnc3cncc(-c4cc(-c5cnn(C(F)F)c5)cnn4)n23)nc1,WFXNRRCWIAFCNN-UHFFFAOYSA-N,3,1,0.276,50,542,441.352,3.84,5,0.382,0.58,0.283,0.11591905969433212,0.19392947707490918,0.9055239531217874,0.8648481940922487,0.5200551709958193
EOS-3-39797,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)nn2)n(C)n1,TYKWGVYZYPZLNY-UHFFFAOYSA-N,3,1,0.298,76,272,452.507,3.476,6,0.4,0.58,0.905,0.03379651840175451,0.048805770680556505,0.029761496813103968,0.03768590226852169,0.03751242204098417
EOS-3-39798,N#Cc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)c2)nc1,LJBHWOGHLDENOO-UHFFFAOYSA-N,3,1,0.385,53,52,476.382,2.903,5,0.372,0.65,0.981,0.522462476869303,0.5505362894935234,0.8156826125693921,0.6920447536152423,0.6451815331368652
EOS-3-39799,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)n2)ccn1,DNKSXJCKRDTRDB-UHFFFAOYSA-N,3,1,0.536,97,401,478.285,4.124,5,0.351,0.73,1.0,0.8093602220546913,0.8459409910218628,0.6856623946268248,0.6890634637790419,0.7575067678706051
EOS-3-39800,Cn1nc(-c2cnccn2)nc1CCCc1cncc2nnc(-c3ccc(F)cc3F)n12,UALLHXNNIMWYDO-UHFFFAOYSA-N,3,1,0.394,85,580,433.426,2.83,5,0.406,0.6,0.985,0.21788259886231237,0.3678980193269824,0.05357754780344048,0.15034953053252004,0.19742692413131385
EOS-3-39801,Fc1cc2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2cc1F,IMGKHFLLHRIORV-UHFFFAOYSA-N,3,1,0.473,27,69,429.337,3.629,5,0.397,0.62,1.0,0.7406534850250154,0.7763261599616201,0.9141337125625385,0.892125282708519,0.8308096600644232
EOS-3-39802,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnn(C)c5C)cc4)n23)cn1,AKTJCWIQOGHDTK-UHFFFAOYSA-N,3,1,0.543,89,250,412.457,3.178,5,0.437,0.8,1.0,0.3144661092454253,0.16814303337673908,0.20236789801932697,0.1405661023918854,0.20638578575834418
EOS-3-39803,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cn2)nc1,QNLIQELCPNHYLB-UHFFFAOYSA-N,3,1,0.443,92,662,413.445,2.573,5,0.432,0.72,1.0,0.2718799259817696,0.1851740799122747,0.07565451305599342,0.03769446919333836,0.14260074703584402
EOS-3-39804,Fc1ccc(COc2cncc3nnc(-c4cnc(Cl)c(-c5ncccc5F)c4)n23)nn1,FZXDHPBEPSGCQM-UHFFFAOYSA-N,3,1,0.457,4,208,452.812,3.549,5,0.373,0.58,1.0,0.6832722226029745,0.8355835789185114,0.6289664861901172,0.6835549311219244,0.7078443047083819
EOS-3-39805,O=c1[nH]c(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)ncc1F,NXIVPEUXOGWMAE-UHFFFAOYSA-N,3,1,0.457,18,181,430.403,2.092,5,0.434,0.53,1.0,0.3830700431773011,0.152594064834487,0.19551435816599275,0.22507881570831334,0.23906432047152354
EOS-3-39806,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)cc1,INBSOXQADJVPPP-UHFFFAOYSA-N,3,1,0.312,32,479,431.459,4.879,6,0.393,0.72,1.0,0.12966897402508396,0.12721883352751695,0.5635751490644918,0.5280995133986705,0.33714061750394075
EOS-3-39807,Cn1nccc1-c1cc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)ncn1,HZMTXTFVUWFHEM-UHFFFAOYSA-N,3,1,0.278,76,114,433.439,2.501,6,0.412,0.52,0.998,0.018204715235419094,0.008155712425467754,0.07131108217394284,0.07803611815502708,0.043926906997464196
EOS-3-39808,Fc1cccc(-c2ncsc2-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)c1,GYBUCLVIAJJKKU-UHFFFAOYSA-N,3,1,0.337,10,118,458.457,4.441,6,0.388,0.63,0.999,0.009440751147967925,0.0947416215475293,0.45415838530601055,0.6166900829278322,0.293757710232335
EOS-3-39809,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)[nH]4)n23)c(F)c1,VWEHFNUFUWSSBC-UHFFFAOYSA-N,3,1,0.31,8,765,473.863,3.226,6,0.386,0.65,0.988,0.2097354533616613,0.41061270646288806,0.3513124528819135,0.46111472825714483,0.3581938352409019
EOS-3-39810,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)cn(C)c2=O)n1,PXNWVZJLRPIFFH-UHFFFAOYSA-N,3,1,0.398,65,552,441.455,1.667,5,0.387,0.55,1.0,0.20695120279624427,0.019609690905352615,0.046338496333356176,0.03566410801178809,0.07714087451168529
EOS-3-39811,COc1cccc(-c2cnc(COc3cncc4nnc(-c5cnccn5)n34)nc2)n1,NONBJGSJCXGUAJ-UHFFFAOYSA-N,3,1,0.351,51,48,413.401,2.021,5,0.408,0.71,1.0,0.38307861010211774,0.19857275032554314,0.09646357343567953,0.053209170036323764,0.18283102597491604
EOS-3-39812,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ncn1,GQPAHEANWGYHHL-UHFFFAOYSA-N,3,1,0.388,46,488,452.4,3.461,5,0.364,0.61,0.454,0.5749777259954767,0.44665375916660954,0.7453738605989993,0.692053320540059,0.6147646665752862
EOS-3-39813,Clc1cccc(-c2nccnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c1,JCVZXPGBPAQXMX-UHFFFAOYSA-N,3,1,0.372,64,365,462.904,5.026,6,0.362,0.74,1.0,0.2371753135494483,0.3291669522308272,0.5269087108491536,0.6487389486669864,0.43549748132410393
EOS-3-39814,Fc1cc(-c2nnc3cncc(Cc4cc(-c5cncnn5)ncn4)n23)ccc1-c1cncs1,BFSLEYQSZWZUAY-UHFFFAOYSA-N,3,1,0.33,94,809,468.481,3.287,6,0.375,0.58,1.0,0.31447467617024194,0.3388818449729285,0.347405935165513,0.3823932561167843,0.34578892810636697
EOS-3-39815,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCc3cc(C)nn3C)n12,HLEXGGTWBWWVRE-UHFFFAOYSA-N,3,1,0.429,92,662,434.485,2.939,5,0.402,0.56,0.999,0.1846172297991913,0.19858131725035982,0.06710472208895894,0.024809814269069974,0.11877827085189502
EOS-3-39817,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cncn4C)cc3F)n12,BQNLAJGTEOFMRW-UHFFFAOYSA-N,3,1,0.338,96,46,418.863,4.96,5,0.415,0.78,0.999,0.2743472003289699,0.5047546432732506,0.9044873552189706,0.9150675073675554,0.6496641765471867
EOS-3-39818,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1F,VJECNMVHTUKUQJ-UHFFFAOYSA-N,3,1,0.619,15,796,415.432,3.347,5,0.423,0.65,1.0,0.8555102460420807,0.7970495510931396,0.45053457610856007,0.4137739017202385,0.6292170687410047
EOS-3-39820,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)s1,VAMBYWLBEVELBM-UHFFFAOYSA-N,3,1,0.578,4,712,453.89,4.385,5,0.39,0.67,1.0,0.6093310945103145,0.7505225824138168,0.5061339181687341,0.5675245014049757,0.6083780241244603
EOS-3-39821,FC(F)COc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,RNJLIEFBTNPORI-UHFFFAOYSA-N,3,1,0.586,1,61,460.444,4.471,5,0.338,0.72,1.0,0.6892776368994585,0.684959906791858,0.8516979644986635,0.7666369679939689,0.7481431190459873
EOS-3-39822,Cc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc(-c2cncc(F)c2)n1,KXPTXKXQCDGUPT-UHFFFAOYSA-N,3,1,0.457,2,564,449.396,3.948,5,0.401,0.56,1.0,0.8536083887327804,0.7763347268864369,0.8678808854773491,0.8386162703036119,0.8341100678500446
EOS-3-39823,Cc1ncc(CCc2cncc3nnc(-c4nncnc4-c4ccc(F)cn4)n23)cn1,NKZYDUYEAFGPQV-UHFFFAOYSA-N,3,1,0.299,85,580,414.408,2.061,5,0.425,0.69,0.075,0.3092402851072579,0.27385888561441984,0.049782400109656635,0.07982660544171065,0.17817704406826124
EOS-3-39824,Cn1cncc1-c1cccc(-c2nnc3cncc(COc4cccc(Cl)n4)n23)c1,CHSPECXPMXBDQA-UHFFFAOYSA-N,3,1,0.363,14,351,417.86,3.819,5,0.404,0.67,1.0,0.42996538962374065,0.41062127338770477,0.5704972243163594,0.5511788088547734,0.49056567404564455
EOS-3-39825,CCn1cncc1-c1cccc(-c2nnc3cncc(Oc4cc(F)ccc4F)n23)c1,BMQLVGKUTFVKTN-UHFFFAOYSA-N,3,1,0.484,13,145,418.407,4.745,5,0.412,0.76,1.0,0.5896271674319786,0.603000137070797,0.8560585292303474,0.8325851552326777,0.7203177472414503
EOS-3-39826,COc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1Cl,BALVJOAOMWGUKO-UHFFFAOYSA-N,3,1,0.576,35,393,458.909,4.532,5,0.354,0.67,0.998,0.8754711808649167,0.9198392844904393,0.6912480296072921,0.6341666095538345,0.7801812761291207
EOS-3-39827,Fc1cc(F)c(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nc5)n34)cn2)cn1,PANGMXVXLCPNQA-UHFFFAOYSA-N,3,1,0.358,85,260,436.813,3.561,5,0.314,0.68,1.0,0.39432698238640257,0.5228479884860531,0.7430350901240491,0.7762661914879035,0.6091190631211021
EOS-3-39828,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)ccnc1Cl,KBVOENUINXAFKT-UHFFFAOYSA-N,3,1,0.442,54,698,448.849,3.452,5,0.364,0.58,1.0,0.8118960318004249,0.8287300390651772,0.5602254814611747,0.5834589815639778,0.6960776334726886
EOS-3-39829,COc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)s1,HQDXOGWIIAUWAT-UHFFFAOYSA-N,3,1,0.478,4,390,452.887,3.341,5,0.358,0.62,1.0,0.4368531971763416,0.5984082653690631,0.17259783428140635,0.16344835857720513,0.342826913851004
EOS-3-39830,c1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc(-c2cncs2)c1,NVYZZHKPDCKAAB-UHFFFAOYSA-N,3,1,0.439,6,584,454.479,3.069,6,0.403,0.59,1.0,0.4006236721266534,0.4466623260914262,0.1414484956480022,0.1207422383661161,0.2773691830580495
EOS-3-39831,Clc1nccc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cc2)n1,CWGYZJCVKPUABV-UHFFFAOYSA-N,3,1,0.346,30,498,463.892,4.421,6,0.353,0.68,0.999,0.2770115139469536,0.2947364813926393,0.43981735316290865,0.5448564183400727,0.38910544171064354
EOS-3-39832,Cn1ccc(-c2nnc(COc3cncc4nnc(-c5cnc(-c6cncnc6)nc5)n34)s2)n1,PSFSUZCACAZLSN-UHFFFAOYSA-N,3,1,0.402,80,816,470.482,1.869,6,0.351,0.64,1.0,0.22622678363374682,0.18938900692207525,0.014212528270851895,0.00953498732095127,0.10984082653690631
EOS-3-39833,Cc1ccc(-c2nc(-c3cncc4nnc(-c5c(Cl)ccc(F)c5Cl)n34)n(C)n2)cn1,LVSXGLXFJMPZPG-UHFFFAOYSA-N,3,1,0.358,22,844,455.284,4.403,5,0.375,0.65,1.0,0.1759132341854568,0.4106298403125214,0.5169625111370023,0.6716983071756563,0.4438009732026592
EOS-3-39834,COc1nc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccc(F)cn1,XQMOLCUSTOHNPY-UHFFFAOYSA-N,3,1,0.449,49,501,461.432,3.552,5,0.339,0.63,1.0,0.8347611541361113,0.6606555410869714,0.5201065725447194,0.44536872044410936,0.6152229970529779
EOS-3-39836,OCc1cc(-c2cncc3nnc(-c4nccnc4-c4cc(F)c(Cl)cc4F)n23)ccc1F,WILQRGWBMCUSGM-UHFFFAOYSA-N,3,1,0.275,45,961,468.826,4.478,5,0.391,0.66,0.934,0.41375676787060517,0.5456959769721061,0.9567455966006443,0.9695360153519292,0.7214335891988212
EOS-3-39837,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccnc4)n23)c(F)c1,CQZIZRSGLCSIKC-UHFFFAOYSA-N,3,1,0.314,42,693,463.48,4.333,6,0.375,0.65,0.999,0.2638698512781852,0.2485093550818998,0.3513210198067302,0.4072973065588376,0.3177493831814132
EOS-3-39838,Fc1cnnc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)n2)c1,KHCFOOWWVOMFDI-UHFFFAOYSA-N,3,1,0.297,76,272,442.443,3.092,6,0.409,0.53,0.997,0.005140154890000685,0.05241244602837365,0.10683811938866425,0.17983688575149065,0.0860569015146323
EOS-3-39839,Clc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)s4)n23)nc1,PIQBPWSUMJEGPR-UHFFFAOYSA-N,3,1,0.282,86,902,470.909,3.877,6,0.377,0.66,1.0,0.17592180111027345,0.27902474127887056,0.16603556987183882,0.2608542937427181,0.22045910150092524
EOS-3-39840,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cnnc(-c5ccccc5)c4)n23)c1,YAZRFUWSTDWEFE-UHFFFAOYSA-N,3,1,0.552,19,732,446.873,4.662,5,0.377,0.65,1.0,0.8958090603796861,0.9480501679117264,0.8228531286409431,0.8679751216503324,0.883671869645672
EOS-3-39841,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nn2C)c(C)n1,PEHWLHUAZNDWDK-UHFFFAOYSA-N,3,1,0.443,31,235,463.933,3.387,5,0.364,0.63,0.864,0.2584898224933178,0.14489239942430265,0.07996367623877733,0.08854773490507847,0.14297340826536906
EOS-3-39842,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cc(F)ncc5F)ncn4)n23)cn1,PBGIMBBUZSGRIV-UHFFFAOYSA-N,3,1,0.427,51,354,433.382,2.599,5,0.386,0.56,0.986,0.6067181824412309,0.5643290384483586,0.46818244123089575,0.3979850592831197,0.5093036803509012
EOS-3-39843,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ncco5)ncn4)n23)c(F)c1F,JHDVEDIRCRETCQ-UHFFFAOYSA-N,3,1,0.418,44,488,425.33,3.233,5,0.396,0.6,0.984,0.6892862038242752,0.527362757864437,0.7868120759372216,0.7512422040984168,0.6886758104310876
EOS-3-39844,CC1CCC(C)N1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)nc1,KPYIKLATCIFQEV-UHFFFAOYSA-N,3,1,0.283,63,175,468.443,3.675,5,0.452,0.55,0.086,0.10025872112946337,0.18939757384689193,0.4575851552326777,0.394935234048386,0.28554417106435476
EOS-3-39845,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(C(F)(F)F)nn5)ccn4)n23)nc1,DLNLAUVDYVIKDV-UHFFFAOYSA-N,3,1,0.467,27,52,468.374,3.775,5,0.359,0.64,1.0,0.4844595983825646,0.560037009115208,0.9094990062367213,0.8205828935645261,0.6936446268247549
EOS-3-39846,Cc1nc(-c2ncn(C)n2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,NTGHXTDTWKSBNJ-UHFFFAOYSA-N,3,1,0.47,31,851,414.433,1.702,5,0.408,0.7,1.0,0.36005928311973134,0.056241861421424164,0.026360427660886847,0.017493660475635667,0.11503880816941951
EOS-3-39847,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)nc2F)n1,HYTXRGDBXVLPNQ-UHFFFAOYSA-N,3,1,0.394,46,223,455.816,3.185,5,0.401,0.58,0.996,0.5583578918511412,0.6363426084572682,0.49218696456719896,0.5213573435679528,0.5520612021108904
EOS-3-39848,COCc1cc(-c2ccc(C)nn2)cc(-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)n1,BCCJPQPWNBDRON-UHFFFAOYSA-N,3,1,0.292,85,60,459.901,3.132,5,0.353,0.6,0.314,0.24806387499143306,0.20785072990199438,0.21996436159276267,0.1936125008566925,0.21737286683572066
EOS-3-39849,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3nccnc3-c3cncs3)n12,COGZZDQKOGJOOY-UHFFFAOYSA-N,3,1,0.267,39,972,454.454,3.363,6,0.395,0.57,1.0,0.20974402028647796,0.24851792200671646,0.2738760194640532,0.3563412377492975,0.27211979987663626
EOS-3-39850,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnn5)c4)n23)c(F)c1,DJEFTSKMKMAXQX-UHFFFAOYSA-N,3,1,0.45,89,707,483.467,2.649,6,0.371,0.72,1.0,0.4576879583304777,0.29967103008703994,0.21997292851757932,0.2456822698923994,0.3057535467068741
EOS-3-39851,Clc1ccc(COc2cncc3nnc(-c4ccc(COc5ccccc5)cc4)n23)nc1,IJEQSGAQHJPXCW-UHFFFAOYSA-N,3,1,0.59,79,347,443.894,4.998,5,0.352,0.74,1.0,0.8443304091563293,0.8524432869577137,0.837117058460695,0.8166763758481256,0.8376417826057159
EOS-3-39852,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4cc(F)nc(F)c4)n23)c1,UAUUENNCMIGKSG-UHFFFAOYSA-N,3,1,0.448,2,422,420.383,2.839,5,0.404,0.61,1.0,0.637661914879035,0.45078301692824346,0.6856709615516414,0.6076862449455144,0.5954505345761085
EOS-3-39853,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cn(C)nn5)s4)n23)c(F)n1,NFSZTPFPQPEUME-UHFFFAOYSA-N,3,1,0.489,92,134,423.437,2.465,5,0.397,0.6,1.0,0.33685148379137825,0.4106384072373381,0.06119354396545816,0.054562744157357276,0.21581154478788295
EOS-3-39854,Cc1ccc(-c2cnnc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)nn1,IWFABMGJMYDXBZ-UHFFFAOYSA-N,3,1,0.333,53,785,417.82,3.187,5,0.434,0.61,1.0,0.4869954081282983,0.48152114317044753,0.219981495442396,0.25480604482215063,0.3608260228908231
EOS-3-39855,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccn1,AXLZWQXWMZDGCF-UHFFFAOYSA-N,3,1,0.484,75,624,464.892,3.879,5,0.36,0.65,1.0,0.5896357343567953,0.5047632101980672,0.5404273182098553,0.5316033856486876,0.5416074121033514
EOS-3-39856,Cc1ncc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)s1,LGKAKIMIWAUELG-UHFFFAOYSA-N,3,1,0.416,18,194,434.46,3.169,5,0.376,0.62,0.997,0.5583664587759578,0.504771777122884,0.17898019326982387,0.1768127612912069,0.3547327976149681
EOS-3-39857,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)n(C)n2)s1,QBLSELIMLTUTLD-UHFFFAOYSA-N,3,1,0.494,31,569,419.474,2.368,5,0.413,0.66,1.0,0.14572339113151944,0.02423583030635323,0.01693681036255226,0.014589472962785278,0.05037137619080256
EOS-3-39858,CCCCc1nc(Cl)cc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,ZBZZGWKWJACJSR-UHFFFAOYSA-N,3,1,0.639,68,305,460.872,4.758,4,0.333,0.78,1.0,0.7788020012336372,0.9101072578987047,0.5132530326913851,0.5379000753889384,0.6850155918031664
EOS-3-39859,Cn1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)n1C,HOIAAAMBANLXOF-UHFFFAOYSA-N,3,1,0.398,31,105,422.84,1.948,5,0.422,0.62,0.999,0.37147899390034955,0.47283428140634637,0.032014598039887605,0.047906243574806384,0.23105852923034748
EOS-3-39860,Cc1c(-c2ccc(Cc3cncc4nnc(-c5ccc(C(C)(F)F)nc5)n34)o2)cnn1C,YGEGBQUWAWJHPQ-UHFFFAOYSA-N,3,1,0.361,85,290,435.438,4.191,5,0.411,0.63,1.0,0.18462579672400795,0.26883010074703584,0.7403793434308821,0.5079072716057844,0.4254356281269276
EOS-3-39861,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5ccccc5C#N)s4)n23)ccc1F,HVQFKWYYDUDIMW-UHFFFAOYSA-N,3,1,0.511,1,744,442.479,4.813,5,0.388,0.77,1.0,0.7759235144952368,0.7679562744157358,0.7825029127544376,0.7642039613460352,0.7726466657528612
EOS-3-39862,Cn1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1-c1nccn1C,UUUSDBNVBHJMLI-UHFFFAOYSA-N,3,1,0.654,84,73,417.448,3.291,5,0.424,0.68,1.0,0.48947981632513193,0.41064697416215473,0.4783171132890138,0.4360222054691248,0.4536165273113563
EOS-3-39863,N#Cc1ncc(-c2cnc(Cl)nn2)c(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,SYNMIOFQHCKCQH-UHFFFAOYSA-N,3,1,0.341,85,362,477.826,2.882,5,0.37,0.65,0.976,0.40277397025563705,0.4861044479473648,0.41756904941402234,0.43892639298197517,0.4363434651497498
EOS-3-39864,Cc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c(Cl)n1,RJSCZTYGGBOLEA-UHFFFAOYSA-N,3,1,0.485,87,838,444.886,3.622,5,0.366,0.61,1.0,0.7103951065725447,0.732489205674731,0.4070488657391543,0.4105270372147214,0.5651150538002878
EOS-3-39865,Cc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4cnc(F)cn4)cc3F)n12,AWXVTUITIAAKTB-UHFFFAOYSA-N,3,1,0.321,52,341,483.482,4.394,6,0.398,0.78,0.997,0.23438249605921457,0.26365567815776847,0.5602340483859913,0.6013809882804468,0.4149133027208553
EOS-3-39866,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cc(F)ccc5F)c(C)n4)n23)ccc1F,IWKYUXYMJVINMI-UHFFFAOYSA-N,3,1,0.451,34,92,462.435,4.861,5,0.371,0.75,0.998,0.6348091289150847,0.7186364882461792,0.8606675347817148,0.8284473305462271,0.7606401206223014
EOS-3-39867,Cn1nc(C#N)nc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nn4)n23)ncn1,CLOZQDTWDPMBHK-UHFFFAOYSA-N,3,1,0.356,53,105,446.822,1.271,5,0.382,0.58,0.559,0.37844390377630044,0.4420104859159756,0.025323829758070043,0.0390137756151052,0.2211979987663628
EOS-3-39868,Fc1ccccc1-c1ccnc(-c2nnc3cncc(OCCc4ccncn4)n23)c1,CWOVAZRTXVQZHC-UHFFFAOYSA-N,3,1,0.477,11,503,413.416,3.404,5,0.421,0.73,1.0,0.617932287026249,0.5892245219655953,0.5269172777739702,0.5545627441573573,0.572159207730793
EOS-3-39869,Fc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1cccnc1,GOGZECQJOSPOIQ-UHFFFAOYSA-N,3,1,0.537,35,846,413.416,3.404,5,0.421,0.73,1.0,0.8958176273045028,0.8966914536358029,0.5770680556507436,0.5834675484887945,0.7382611712699609
EOS-3-39870,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)nc(Cl)n2)n1,RHHFROKBLWIGOE-UHFFFAOYSA-N,3,1,0.511,36,404,438.814,2.143,5,0.38,0.56,0.999,0.4006322390514701,0.5548454526763074,0.09916215475292989,0.17417414844767323,0.3072034987320951
EOS-3-39871,CN(C)CCOCc1cncc2nnc(-c3cc(-c4csc(Cl)c4)ncn3)n12,LCUUNVQWKDXTCZ-UHFFFAOYSA-N,3,1,0.308,78,5,415.91,3.041,4,0.429,0.7,0.983,0.10026728805428003,0.10772051264478102,0.13514323898293468,0.14294770749091906,0.1215196867932287
EOS-3-39872,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nncs5)cc4)n23)cc1,GNBQIJHSRDCMSX-UHFFFAOYSA-N,3,1,0.592,43,138,436.447,4.826,5,0.38,0.73,1.0,0.9158556644506888,0.8056336097594408,0.8930162428894524,0.8515009252278802,0.8665016105818656
EOS-3-39873,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cnn2)cn1,YCHVKJRKUQEBGI-UHFFFAOYSA-N,3,1,0.404,51,48,432.835,2.369,5,0.408,0.51,1.0,0.5277568364060037,0.5688866424508259,0.13844150503735178,0.14295627441573572,0.34451031457747927
EOS-3-39874,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)c2)nn1,AXHPWUHWHLSUPH-UHFFFAOYSA-N,3,1,0.44,2,422,421.371,2.234,5,0.398,0.59,0.995,0.45995819340689464,0.4058666301144541,0.48541909396203137,0.44537728736892607,0.44915530121307656
EOS-3-39875,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n(C)n2)s1,MLLQDODHCLVMKC-UHFFFAOYSA-N,3,1,0.367,6,14,468.506,3.601,6,0.373,0.69,1.0,0.23146974162154754,0.22811150709341374,0.049790967034473305,0.04019601123980536,0.13739205674730998
EOS-3-39876,Cn1nc(-c2nnc3cncc(OCCc4cncnc4F)n23)cc1-c1cccc(C#N)n1,HWJRIPZFMQRFNP-UHFFFAOYSA-N,3,1,0.394,31,569,442.418,2.009,5,0.362,0.6,0.662,0.5095435542457679,0.37754437667055035,0.20960694948941128,0.2019395517784936,0.3246586080460558
EOS-3-39877,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4ccncn4)n23)c1,CMELBAIQOJNTAL-UHFFFAOYSA-N,3,1,0.5,15,931,413.445,2.481,5,0.4,0.7,1.0,0.37387773284901654,0.20306181892947708,0.059103214310191214,0.05184702899047358,0.1719724487697896
EOS-3-39878,CCc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cnn(C)c1,WHZIZFJLVOWCIO-UHFFFAOYSA-N,3,1,0.434,31,578,444.474,3.305,5,0.355,0.62,0.994,0.42546775409499005,0.3961603042971695,0.32161949146734287,0.25174765266260024,0.3487488006305257
EOS-3-39879,COc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)ncn1,BDHPAMRJXMEEHT-UHFFFAOYSA-N,3,1,0.447,59,577,465.395,3.648,5,0.351,0.65,1.0,0.8323881159618943,0.7679648413405524,0.8893495990679186,0.810011308340758,0.8249284661777808
EOS-3-39881,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)nc4F)n23)nn1,GHEOPJZVQAATDS-UHFFFAOYSA-N,3,1,0.344,36,706,423.799,2.962,5,0.406,0.6,1.0,0.5144267013912686,0.6363511753820849,0.26639709409910217,0.30922315125762456,0.43159953053252
EOS-3-39882,COc1ncc(-c2nnc3cncc(OCCc4cncnn4)n23)cc1-c1cccc(F)n1,ZOHRJWCROLZOPE-UHFFFAOYSA-N,3,1,0.4,87,779,445.418,2.202,5,0.344,0.61,1.0,0.5639949283805086,0.5090980741553012,0.16292577616338838,0.13383249948598452,0.3424628195462957
EOS-3-39883,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncn(C)c5F)cn4)n23)cn1,NTHHUTGUOYWQOB-UHFFFAOYSA-N,3,1,0.512,4,205,416.42,3.008,5,0.435,0.67,1.0,0.5640034953053252,0.5410355698718388,0.4032879857446371,0.2963984648070728,0.45118137893221844
EOS-3-39884,CCc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cnc(C)s1,HLVSBRYHNRZQSS-UHFFFAOYSA-N,3,1,0.46,18,690,443.536,4.197,5,0.372,0.67,1.0,0.3578575834418477,0.2688386676718525,0.13845007196216846,0.10045576040024673,0.21640052086902883
EOS-3-39885,Cc1cnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)nn2C)cn1,VGRRKVZXLPLCHW-UHFFFAOYSA-N,3,1,0.362,67,622,450.466,3.473,6,0.423,0.58,1.0,0.3320197381947776,0.23300322116373107,0.23434822835994792,0.1741827153724899,0.24338847577273662
EOS-3-39886,FC(F)n1cc(-c2cncc3nnc(-c4ccc(C(F)(F)C5CCOCC5)nc4)n23)cn1,IBTDKNNMPSCWOZ-UHFFFAOYSA-N,3,1,0.354,68,455,447.396,3.963,5,0.431,0.64,0.998,0.1102820231649647,0.23811767527928174,0.8034747447056405,0.8057621136316908,0.4894091391953944
EOS-3-39887,CCc1nc(Cl)nc(-c2cncc3nnc(-c4ccc(C(C)(O)CO)nc4)n23)c1F,IHARHCYMNSEFEV-UHFFFAOYSA-N,3,1,0.383,68,974,429.843,2.198,4,0.463,0.53,0.716,0.42997395654855736,0.5643376053731752,0.44690219998629294,0.3404581591391954,0.44541798026180524
EOS-3-39888,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1-c1ncccn1,GIPHPRTZQDWBSB-UHFFFAOYSA-N,3,1,0.538,11,770,463.423,4.342,5,0.355,0.68,1.0,0.9552378178329107,0.9601209649784114,0.7664913302720855,0.7330374888629977,0.8537219004866012
EOS-3-39889,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cnnc(-c4ccccn4)c3)n12,SKLJBDQXBPYURH-UHFFFAOYSA-N,3,1,0.478,65,778,448.849,3.452,5,0.389,0.54,0.802,0.8066530738126242,0.7889538071413885,0.55049345486944,0.6044308135151806,0.6876327873346584
EOS-3-39890,Cc1cncc(COc2cncc3nnc(-c4ccc(F)c(-c5cccnc5CO)c4)n23)c1F,KMXGSKPWHZDDIL-UHFFFAOYSA-N,3,1,0.494,97,253,460.444,3.906,5,0.41,0.59,0.997,0.834769721060928,0.7463676238777328,0.8649766979644986,0.8077410732643411,0.8134637790418751
EOS-3-39891,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(F)n4)n23)c1,LNWCZRZCPKBJSG-UHFFFAOYSA-N,3,1,0.441,18,263,466.839,3.591,5,0.35,0.63,1.0,0.8830100747035844,0.8672469330409156,0.5404358851346721,0.5984939346172298,0.7222967068741005
EOS-3-39892,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5cscn5)ccn4)n23)c1,MAIAJYKLQALJPG-UHFFFAOYSA-N,3,1,0.456,18,181,419.445,3.465,5,0.416,0.62,1.0,0.6008412720169968,0.46844801590021246,0.4212442601603728,0.42019909533273936,0.47768316085258034
EOS-3-39893,CCc1cncc(-c2cnc(-c3cncc4nnc(-c5cccnc5Cl)n34)nc2)n1,LPQHZHBZOYJCEE-UHFFFAOYSA-N,3,1,0.309,50,489,415.848,3.316,5,0.411,0.68,1.0,0.20418408608046057,0.2842762661914879,0.1471969021999863,0.20787643067644437,0.21088342128709478
EOS-3-39894,Cc1nc(-c2cnnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)ns1,PTIMRINRSJKKLK-UHFFFAOYSA-N,3,1,0.419,53,587,437.876,3.036,5,0.382,0.62,1.0,0.3296552669453773,0.41985641834007265,0.07131964909875951,0.10901411829209787,0.23246136316907684
EOS-3-39895,Fc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1cscn1,HMSGSFAJKRGZLG-UHFFFAOYSA-N,3,1,0.612,97,71,438.875,4.681,5,0.396,0.67,1.0,0.6981015694606264,0.8014443835240902,0.7949849222123226,0.8244380097320266,0.7797422212322664
EOS-3-39896,CCn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cs2)nn1,NXPAUPJRXSUXGJ-UHFFFAOYSA-N,3,1,0.295,98,882,454.523,3.594,6,0.392,0.6,1.0,0.05295216229182373,0.06009697758892468,0.08981563977794531,0.09053526146254541,0.07335001028030978
EOS-3-39897,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)ccn2)cn1,KSIWWZQHRXRUCF-UHFFFAOYSA-N,3,1,0.452,51,441,461.873,2.812,5,0.357,0.58,1.0,0.45769652525529436,0.4815297100952642,0.23435679528476458,0.22508738263313002,0.3496676033171133
EOS-3-39898,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(F)c5F)cc4F)n23)cc1,SIYZCJVVUMXKAF-UHFFFAOYSA-N,3,1,0.549,59,526,452.371,4.384,5,0.368,0.66,1.0,0.9085309437324378,0.9288345555479405,0.9578678637516277,0.9584504146391611,0.9384209444177918
EOS-3-39899,Fc1cccc2c1CC(Oc1cncc3nnc(-c4ccc(-c5ncsn5)cc4)n13)C2,QPYBSWYJBVQICE-UHFFFAOYSA-N,3,1,0.512,91,300,430.468,3.995,6,0.429,0.6,1.0,0.8443389760811459,0.8132667397710918,0.6665581522856555,0.6920618874648756,0.7540564389006922
EOS-3-39900,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncccc1F,BUHNSKXGVOBFTG-UHFFFAOYSA-N,3,1,0.448,49,501,461.432,3.552,5,0.363,0.6,1.0,0.7928174902337057,0.5892330888904119,0.5335223768076212,0.4674713864711123,0.5957610856007127
EOS-3-39902,Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5ncc(C)s5)c4)n23)nc1,YDNULRVOTQXMGN-UHFFFAOYSA-N,3,1,0.425,46,348,433.472,4.04,5,0.386,0.63,0.999,0.6234322527585497,0.5457045438969228,0.29950825851552326,0.2456908368172161,0.42858397299705303
EOS-3-39903,COc1nncnc1COc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,ZCFNHRWKMCINNY-UHFFFAOYSA-N,3,1,0.462,36,320,416.405,1.359,5,0.4,0.66,1.0,0.3463693372626962,0.1526026317593037,0.03202316496470427,0.016319991775752177,0.13682878144061408
EOS-3-39904,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnn2)nc1,NOTOUIWKFOZXNN-UHFFFAOYSA-N,3,1,0.5,65,778,428.431,3.107,5,0.406,0.55,1.0,0.7347423069015147,0.6509663491193202,0.432355561647591,0.39494380097320264,0.553252004660407
EOS-3-39905,Cc1nn(C)cc1-c1cc(COc2cncc3nnc(-c4ccncn4)n23)cc(F)n1,BBJNDSGFMORPPA-UHFFFAOYSA-N,3,1,0.391,31,544,417.408,2.403,5,0.401,0.65,1.0,0.40713453498732094,0.28945068878075525,0.2591666095538346,0.19081968336645877,0.2866428791720924
EOS-3-39906,FC(F)(F)c1cc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)ccn1,DWKXLGHPLBYCEP-UHFFFAOYSA-N,3,1,0.442,54,873,464.411,3.679,5,0.375,0.6,1.0,0.7164347885682956,0.6176410115824823,0.8418203001850456,0.7088187924062779,0.7211787231855253
EOS-3-39907,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)nc(C)n1,AXKVXPADMITZBW-UHFFFAOYSA-N,3,1,0.489,58,579,463.954,4.597,5,0.363,0.71,0.999,0.7644952367898019,0.8459495579466795,0.2777825371804537,0.26384415050373516,0.5380178706051675
EOS-3-39909,Clc1cccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5nnco5)n34)cn2)n1,RVOXTNPXCIYZDW-UHFFFAOYSA-N,3,1,0.286,10,664,442.83,3.137,6,0.378,0.57,0.999,0.013946953601535193,0.11373449386608184,0.17579329723802345,0.26688540881365225,0.1425900383798232
EOS-3-39910,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c(F)c2)nn1C,KJGUUHBKYPXNBH-UHFFFAOYSA-N,3,1,0.595,37,669,464.892,3.704,5,0.353,0.66,1.0,0.680290932766774,0.7633558357891851,0.36988554588444933,0.38884415050373516,0.5505941162360358
EOS-3-39911,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCCOc4cccc(F)c4F)n23)cc1,GZSHPGDGSUGAHU-UHFFFAOYSA-N,3,1,0.495,91,781,462.46,4.318,5,0.32,0.76,1.0,0.7010657254471935,0.5984168322938798,0.7732506339524364,0.714387293537112,0.6967801213076553
EOS-3-39912,Cc1cc(-c2nnc3cncc(OCc4nnc(-c5cccs5)s4)n23)ccc1Cl,TVWBGKMESABWOA-UHFFFAOYSA-N,3,1,0.489,4,534,440.941,4.912,5,0.386,0.77,1.0,0.5533633746830238,0.7324977725995476,0.26271331642793505,0.3728497018710164,0.4803560413953807
EOS-3-39913,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)c(Br)n1,UDCKBXVDQMOXRZ-UHFFFAOYSA-N,3,1,0.523,58,271,477.326,3.366,5,0.346,0.69,1.0,0.6348176958399013,0.5364865327941882,0.2627218833527517,0.23409122061544788,0.41702933315057233
EOS-3-39914,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)ccc1F,LXKMPXJDBHJVEU-UHFFFAOYSA-N,3,1,0.568,24,912,419.445,3.731,5,0.429,0.68,1.0,0.5896443012816119,0.5317575902953876,0.4212528270851895,0.3563498046741142,0.47475113083407583
EOS-3-39915,Cc1oncc1-c1cnnc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,JEMAFSGHAKYSTC-UHFFFAOYSA-N,3,1,0.43,65,466,434.847,3.215,5,0.397,0.59,1.0,0.5069991775752176,0.4815382770200809,0.3032263038859571,0.33091460489342744,0.40566959084367077
EOS-3-39916,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)cn4)n23)cn1,WOWFWWGLKRUDDX-UHFFFAOYSA-N,3,1,0.512,55,786,416.832,3.271,5,0.402,0.66,1.0,0.5640120622301419,0.7889623740662052,0.36253512439174834,0.39495236789801935,0.5276154821465286
EOS-3-39917,CCc1nc(-c2nnc3cncc(OCc4csc(F)n4)n23)ccc1-c1cnc(C)nc1,TXHWFJGHUOGBPC-UHFFFAOYSA-N,3,1,0.396,7,690,448.487,3.689,5,0.387,0.63,0.997,0.4943286957713659,0.5457131108217395,0.1534507573161538,0.10461928586114728,0.3245279624426016
EOS-3-39918,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4ccc(CN5CCCC5)nc4)n23)nn1C,XRPPDYMANHRHKK-UHFFFAOYSA-N,3,1,0.439,31,105,471.529,1.89,6,0.351,0.62,0.997,0.011565348502501542,0.0005996847371667467,0.0007967240079501062,0.001387841820300185,0.003587399766979645
EOS-3-39919,Cc1c(-c2cc(Cl)cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cnn1C,WRQCHFWATVNLBL-UHFFFAOYSA-N,3,1,0.549,4,32,466.332,4.781,5,0.371,0.75,1.0,0.5507675964635734,0.7505311493386334,0.6289750531149338,0.6835634980467411,0.6534593242409704
EOS-3-39920,COc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1nccs1,QVCKZOHRFFXKTN-UHFFFAOYSA-N,3,1,0.511,72,224,451.899,3.946,5,0.382,0.69,1.0,0.5481289836200397,0.5939620313892126,0.362543691316565,0.31220444109382495,0.45420978685491054
EOS-3-39921,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)cn5)n34)nc2F)s1,YAGWXSRBMWRIJJ-UHFFFAOYSA-N,3,1,0.415,31,237,453.438,2.703,5,0.358,0.62,1.0,0.5326314166266877,0.5136299773833185,0.06311253512439174,0.08154855732986087,0.29773062161606473
EOS-3-39922,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1,SPWLKBVHFHKAKX-UHFFFAOYSA-N,3,1,0.484,11,490,461.888,4.366,5,0.371,0.65,1.0,0.8014615173737235,0.8092916866561579,0.6204166952230827,0.660047289424988,0.722804297169488
EOS-3-39923,c1cnc(-c2ccc(COc3cncc4nnc(-c5cc(-c6cncs6)ccn5)n34)nc2)nc1,HYYCWJUDCJEVJQ-UHFFFAOYSA-N,3,1,0.436,80,414,465.502,3.741,6,0.362,0.68,1.0,0.32439517510794325,0.29474504831745596,0.24487697895963265,0.20788499760126106,0.26797554999657325
EOS-3-39924,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)cc1,WZIYFARNUWPBFP-UHFFFAOYSA-N,3,1,0.385,96,680,412.384,3.753,5,0.448,0.77,1.0,0.2825800150777877,0.10103831128778014,0.6992238366116099,0.607694811870331,0.4226342437118772
EOS-3-39925,CCn1nccc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,OUDMMDLIVJSYAD-UHFFFAOYSA-N,3,1,0.533,15,438,445.914,4.345,5,0.346,0.7,1.0,0.4695874169008293,0.46417312041669523,0.47832568021383043,0.4794565142896306,0.47288568295524636
EOS-3-39926,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)c1,ZRDPAKHWKOXICH-UHFFFAOYSA-N,3,1,0.436,54,873,414.404,2.799,5,0.418,0.67,0.995,0.6920276197656089,0.518101912137619,0.36255225824138165,0.39188540881365225,0.49114179973956545
EOS-3-39927,Clc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)nc1,RXMDNVPPVQRFLP-UHFFFAOYSA-N,3,1,0.276,86,902,454.841,3.409,6,0.39,0.55,1.0,0.29364848194092247,0.31483448701254196,0.1693081351518059,0.24304365704886574,0.255208690288534
EOS-3-39928,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3F)n12,HHGRWAWFWRGKQI-UHFFFAOYSA-N,3,1,0.364,3,923,453.412,4.849,6,0.377,0.67,1.0,0.3244037420327599,0.4420190528407923,0.844955794667946,0.8564611746967309,0.6169599410595573
EOS-3-39929,COc1ccccc1-n1cc(-c2cncc3nnc(-c4nccnc4-c4ncc(F)cn4)n23)nn1,FMCVZTPTUYQGSE-UHFFFAOYSA-N,3,1,0.295,39,588,467.428,2.434,6,0.372,0.59,1.0,0.06929785484202591,0.1304314303337674,0.08228531286409431,0.09845966691796312,0.09511856623946269
EOS-3-39930,COc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,XJBNKXUQZUBSAO-UHFFFAOYSA-N,3,1,0.529,4,710,450.911,4.551,5,0.375,0.69,1.0,0.5640206291549585,0.5984253992186964,0.4645072304845453,0.42970838187924065,0.5141654101843602
EOS-3-39931,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)nc1,SZDWXUPGIKFROJ-UHFFFAOYSA-N,3,1,0.394,31,194,445.874,3.017,5,0.363,0.58,0.99,0.5749862929202934,0.5136385443081352,0.12631930642176684,0.15035809745733672,0.34132556027688304
EOS-3-39932,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nn3)n12,CPCPSZHVRXPGKQ-UHFFFAOYSA-N,3,1,0.402,54,564,470.255,3.458,5,0.381,0.57,0.998,0.7377150298128984,0.6899458570351586,0.4854276608868481,0.6077033787951477,0.6301979816325132
EOS-3-39933,CCOc1ccc(-c2nnc3cncc(-c4ccc(-c5cn(C)nc5C)cn4)n23)cn1,FYRZXXGFPHUJGM-UHFFFAOYSA-N,3,1,0.306,82,974,412.457,3.356,5,0.437,0.75,1.0,0.13246179151531767,0.10414810499623055,0.2523045027756836,0.14057466931670207,0.15737226715098349
EOS-3-39934,Cc1cc(C)nc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)c(C)c5)c4)n23)n1,DJSZJVQFJAIIGH-UHFFFAOYSA-N,3,1,0.479,87,307,455.497,4.329,5,0.376,0.67,1.0,0.6263878418203002,0.5984339661435131,0.4434325954355425,0.3918939757384689,0.5150370947844561
EOS-3-39935,COCc1ncc(-c2nnc3cncc(-c4cc(-c5cnnn5C)cnc4OC)n23)cc1F,FMLKDPNUIGGCHN-UHFFFAOYSA-N,3,1,0.286,50,974,447.434,2.338,5,0.386,0.57,0.993,0.2936570488657392,0.3046912480296073,0.2378092659858817,0.1610067850044548,0.24929108697142072
EOS-3-39936,Cc1nc(CCOc2cncc3nnc(-c4ccccc4-c4ccccc4)n23)nc(F)c1F,SJQPWCDCLXVASU-UHFFFAOYSA-N,3,1,0.506,1,700,444.445,4.456,5,0.36,0.71,1.0,0.8276848742375437,0.7763432938112536,0.49908333904461655,0.5511873757795902,0.663574720718251
EOS-3-39937,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5Cl)n34)nc2)nn1,JAYGQQRMTCVVCD-UHFFFAOYSA-N,3,1,0.253,70,813,457.845,2.747,6,0.363,0.57,0.753,0.054674114179973955,0.1449009663491193,0.14145706257281887,0.1880697005003084,0.13227546090055514
EOS-3-39938,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)c(Cl)c5)ns4)n23)cc1,PDYAMQRBZDUPDE-UHFFFAOYSA-N,3,1,0.415,62,837,482.356,4.643,5,0.401,0.82,1.0,0.20975258721129464,0.34403056678774585,0.48896580083613184,0.5642348022753753,0.4017459392776369
EOS-3-39939,Cc1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4-c4cccc(F)c4F)n23)cn1,KAWGIVVUOWMYKG-UHFFFAOYSA-N,3,1,0.467,4,71,465.851,4.462,5,0.354,0.76,1.0,0.8645997532725653,0.891893975738469,0.8119217325748749,0.8014272496744569,0.8424606778150915
EOS-3-39940,Cc1cn(C)c(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)cnn2)n1,NWWNIMWPKIIUCG-UHFFFAOYSA-N,3,1,0.385,53,915,417.408,2.403,5,0.429,0.63,0.728,0.49433726269618256,0.36790658625179906,0.15345932424097047,0.1429648413405524,0.28966700363237613
EOS-3-39941,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)nn5C)n34)cnn2)nc1,TUCXBDBVVVRRBD-UHFFFAOYSA-N,3,1,0.404,92,65,434.851,2.313,5,0.41,0.55,1.0,0.27188849290658623,0.3914227948735522,0.079972243163594,0.08320197381947776,0.20662137619080254
EOS-3-39942,Cc1c(F)ccc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)cnn2)c1F,GBZNQVRKZLZGSO-UHFFFAOYSA-N,3,1,0.46,37,778,463.423,3.991,5,0.376,0.63,1.0,0.7984031252141731,0.7970581180179562,0.7887053663217052,0.7810893701596875,0.7913139949283805
EOS-3-39943,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)nc1,NJTLOWYNBMSEMX-UHFFFAOYSA-N,3,1,0.409,41,120,435.447,4.639,6,0.389,0.68,1.0,0.47211465972174627,0.34872524158727985,0.6318963744774175,0.5281080803234871,0.4952110890274827
EOS-3-39944,Fc1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)ns4)n23)cc1Cl,XMAINKKXZQWSMU-UHFFFAOYSA-N,3,1,0.368,45,575,444.282,4.818,5,0.371,0.75,1.0,0.29638989788225617,0.5410441367966554,0.6829209786854911,0.8497961071893633,0.5925377801384415
EOS-3-39946,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cscn1,IUVNECSHSUKBHG-UHFFFAOYSA-N,3,1,0.5,97,383,422.495,3.959,5,0.409,0.69,1.0,0.45085155232677676,0.34403913371256256,0.32522616681516003,0.23409978754026456,0.338554160098691
EOS-3-39947,Cc1cncc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)nc5)c4)n23)n1,NIZGLRQJVARMRV-UHFFFAOYSA-N,3,1,0.443,7,441,411.429,2.629,5,0.43,0.73,1.0,0.37845247070111715,0.22304845452676308,0.15977314783085464,0.0944503461037626,0.21393110479062435
EOS-3-39948,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1cnc(C)nc1,NZVCFTKBALYJBO-UHFFFAOYSA-N,3,1,0.376,7,690,456.485,3.936,5,0.379,0.62,1.0,0.5533719416078404,0.47744328695771365,0.34349941744911244,0.23125556850113083,0.4013925536289493
EOS-3-39949,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nncs4)n23)c(OC(F)F)n1,RVCCYZVVHLBZDI-UHFFFAOYSA-N,3,1,0.345,50,542,427.4,2.707,5,0.421,0.6,0.584,0.34388492906586254,0.39616887122198613,0.26273045027756836,0.24863785895414983,0.3128555273798917
EOS-3-39950,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(F)cn5)s4)n23)cn1,ZUVPVBTVFAWHNK-UHFFFAOYSA-N,3,1,0.4,85,580,417.473,3.938,5,0.431,0.66,1.0,0.3013844150503735,0.4507915838530601,0.2888338701939552,0.29340004112123913,0.333602477554657
EOS-3-39951,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cnn2)cn1,HCOHTVUNOVTVKX-UHFFFAOYSA-N,3,1,0.449,53,482,449.837,2.847,5,0.36,0.55,0.994,0.6618806113357549,0.797066684942773,0.35132958673154685,0.4233003221163731,0.5583943012816119
EOS-3-39952,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cc(Cl)n5)n34)c(C)n2)cn1,NZXAKLAHDFYFBC-UHFFFAOYSA-N,3,1,0.4,7,567,459.901,3.591,5,0.363,0.66,1.0,0.535201494071688,0.554854019601124,0.12112774998286616,0.09846823384277979,0.3274128743746145
EOS-3-39953,Fc1cccc(-c2cc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)ncn2)n1,NQLMKOUXHKMURP-UHFFFAOYSA-N,3,1,0.483,44,971,419.807,4.228,5,0.402,0.66,0.999,0.6234408196833665,0.6801195942704407,0.6829295456103077,0.7642125282708518,0.6876756219587417
EOS-3-39954,Cc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cnn(C)c6C)nc5)n34)c2)nc1,XEBGCPUQIKQWER-UHFFFAOYSA-N,3,1,0.29,70,899,459.517,4.328,6,0.387,0.62,1.0,0.0672503598108423,0.04156671921047221,0.38512610513330137,0.3092317181824412,0.20079372558426428
EOS-3-39955,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5ccnnc5)c4)n23)ccn1,OTWAEGFESXZMTD-UHFFFAOYSA-N,3,1,0.482,75,565,416.832,3.271,5,0.402,0.65,1.0,0.6008498389418134,0.6127664313617983,0.5927540949900624,0.5863631690768282,0.5981833835926256
EOS-3-39956,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)n1,VIDOFSNOIAXPQW-UHFFFAOYSA-N,3,1,0.418,65,658,422.412,1.926,5,0.398,0.56,0.915,0.6093396614351313,0.4956651360427661,0.16931670207662258,0.1634569255020218,0.35944460626413544
EOS-3-39957,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccnc(Cl)c5)n4)n23)c1,YQMDUVPUWOYVPI-UHFFFAOYSA-N,3,1,0.33,10,952,471.847,3.079,6,0.356,0.62,0.995,0.014812213008018642,0.18518264683709135,0.24488554588444933,0.420207662257556,0.21627201699677884
EOS-3-39958,Fc1cccnc1CCOc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,MDQCXQPJFQECHQ-UHFFFAOYSA-N,3,1,0.523,75,324,414.404,2.799,5,0.418,0.68,1.0,0.655506819272154,0.6606641080117881,0.3252347337399767,0.32138818449729284,0.49069846138030293
EOS-3-39959,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1,AQFKFRZRSILQLG-UHFFFAOYSA-N,3,1,0.472,18,466,414.404,2.799,5,0.418,0.68,1.0,0.6678174902337057,0.5548625865259407,0.4681910081557124,0.47946508121444725,0.5425840415324515
EOS-3-39961,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)n1,KJQQHPOUOHKYFP-UHFFFAOYSA-N,3,1,0.605,59,13,466.398,4.692,5,0.35,0.73,1.0,0.927815091494757,0.8672554999657323,0.9411794942087588,0.9403399355767253,0.9191475053114934
EOS-3-39962,N#Cc1ccc(CCOc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)nc1,NCHQIGHFJQWGLI-UHFFFAOYSA-N,3,1,0.478,87,838,411.385,2.124,5,0.408,0.78,1.0,0.5302241107532041,0.4378897950791584,0.27388458638886987,0.24569940374203275,0.3719244739908163
EOS-3-39963,Cc1cnc(-c2cccc(-c3nnc4cncc(Cc5cc(Cl)ccc5Cl)n34)c2)cn1,FRAUGYVRYQITQO-UHFFFAOYSA-N,3,1,0.382,14,358,447.329,5.454,5,0.366,0.81,1.0,0.3065845384140909,0.41065554108697144,0.8575920087725311,0.8990045233363032,0.6184591529024741
EOS-3-39964,Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)nn1,WIFUXAVNOMOBQN-UHFFFAOYSA-N,3,1,0.447,6,297,474.488,3.383,6,0.354,0.65,1.0,0.38770474950311834,0.30978856829552465,0.1758018641628401,0.1478051538619697,0.25527508395586324
EOS-3-39965,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cncc(C)n5)n34)c2)nc1,GGNNXUPGAINJDC-UHFFFAOYSA-N,3,1,0.476,7,921,410.441,3.234,5,0.435,0.76,1.0,0.4047529298882873,0.2636642450825852,0.19891542731820985,0.1382530326913851,0.2513964087451169
EOS-3-39966,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ncc(Cl)cc5F)n34)c2)nc1,IHGIDVHMHSPIHP-UHFFFAOYSA-N,3,1,0.386,73,65,467.827,2.986,5,0.371,0.58,1.0,0.6952316496470426,0.6947519018573093,0.3660818312658488,0.46426735658967855,0.5550831848399699
EOS-3-39967,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)o1,JOXZORVWMTVDDQ-UHFFFAOYSA-N,3,1,0.44,53,182,420.82,3.172,5,0.395,0.64,1.0,0.38995785072990197,0.39143136179836885,0.2738931533136865,0.27864779658693717,0.33348254060722365
EOS-3-39968,Cn1cnnc1-c1cnc(Cl)c(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,JZILEYCOCGGOBY-UHFFFAOYSA-N,3,1,0.458,27,69,469.843,3.547,5,0.347,0.67,1.0,0.7042611884038106,0.7550716194914674,0.6413028579261189,0.5955383455554794,0.674043502844219
EOS-3-39969,Fc1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1-c1ccnnc1,MFYQXQVBLFTBBE-UHFFFAOYSA-N,3,1,0.488,13,145,418.819,4.833,5,0.416,0.72,1.0,0.7759320814200534,0.8967000205606196,0.9179973956548557,0.9359708039202248,0.8816500753889384
EOS-3-39970,Cc1nnc(Cc2cncc3nnc(-c4ccc(-c5nccc(F)n5)nc4)n23)nc1C,WKCALVVFWDMJEM-UHFFFAOYSA-N,3,1,0.349,85,60,414.408,2.175,5,0.407,0.68,1.0,0.32966383387019393,0.3148430539373586,0.027474127887053664,0.03139777945308752,0.17584469878692344
EOS-3-39971,COc1cc(-c2cccc(C)n2)ccc1-c1nnc2cncc(OCc3ccc(C)nc3C)n12,BHLOGIARJCXQTC-UHFFFAOYSA-N,3,1,0.457,1,92,452.518,4.761,5,0.367,0.71,1.0,0.49955451990953326,0.16815160030155576,0.520115139469536,0.2995510931396066,0.3718430882050579
EOS-3-39972,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)cn4)n23)cn1,JOYFLMBLBMURBH-UHFFFAOYSA-N,3,1,0.31,86,812,466.896,3.759,6,0.361,0.64,0.993,0.20695976972106092,0.23301178808854772,0.310345418408608,0.3213967514221095,0.26792843191008153
EOS-3-39973,Cn1ccnc1-c1cnnc(-c2nnc3cncc(OCc4cc(F)ccc4-n4nccn4)n23)c1,CPSSBGZYEMXLSC-UHFFFAOYSA-N,3,1,0.39,53,511,469.444,2.281,6,0.361,0.64,1.0,0.3092488520320746,0.2842848331163046,0.18552532382975806,0.19082825029127545,0.2424718148173532
EOS-3-39974,COc1ccncc1COc1cncc2nnc(-c3cc(-c4cccnn4)ccn3)n12,PDHPTTSVAGVJNZ-UHFFFAOYSA-N,3,1,0.398,18,88,412.413,2.626,5,0.415,0.75,1.0,0.34637790418751285,0.09779144678226304,0.3216280583921596,0.2140446165444452,0.24496050647659517
EOS-3-39975,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nccn5C)cnc4F)n23)cc1Cl,YELMQHCVVVVNNO-UHFFFAOYSA-N,3,1,0.483,16,353,449.877,4.267,5,0.373,0.62,1.0,0.7527414159413337,0.7094270440682613,0.745382427523816,0.7143958604619286,0.7304866869988349
EOS-3-39976,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnc6)cn5)n34)cc2)n1C,HMMDZQKXVPLSQY-UHFFFAOYSA-N,3,1,0.427,80,350,476.504,3.326,6,0.356,0.66,1.0,0.41596703447330546,0.2688472345966692,0.2815434171749709,0.18807826742512507,0.28860898841751764
EOS-3-39978,Cc1ccc(-c2cc(-c3nnc4cncc(COc5cccc(CF)c5)n34)cs2)nn1,RSFZAYWARLBOEZ-UHFFFAOYSA-N,3,1,0.374,14,189,432.484,4.667,5,0.388,0.72,1.0,0.360067850044548,0.32014598039887604,0.5404444520594888,0.4794736481392639,0.4250329826605442
EOS-3-39979,N#Cc1ccc(F)c(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)ncn2)c1,HSSNHKYNAAGJND-UHFFFAOYSA-N,3,1,0.375,44,971,461.819,4.844,5,0.377,0.71,1.0,0.8119045987252416,0.772076965252553,0.953010417380577,0.9639332465218285,0.87523130697005
EOS-3-39980,COc1ccc(-c2ncc(Cl)cn2)nc1COc1cncc2nnc(-c3ccc(C)cn3)n12,GFFKHFXKPQIOKQ-UHFFFAOYSA-N,3,1,0.415,46,775,460.885,3.588,5,0.375,0.6,0.868,0.592531354944829,0.5410527037214722,0.2130080186416284,0.1715698033034062,0.3795404701528339
EOS-3-39981,FC(F)Oc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,VPYIIYVXEKXXJX-UHFFFAOYSA-N,3,1,0.565,68,305,453.783,4.958,4,0.368,0.75,1.0,0.9711979987663628,0.9634534987320952,0.9901137687615653,0.9836457405249811,0.9771027516962512
EOS-3-39982,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)c6)c5)n34)cn2)n1,QBJFUGFDEFMSQX-UHFFFAOYSA-N,3,1,0.327,10,673,465.908,4.458,6,0.379,0.65,0.993,0.015583236241518745,0.1486875471180865,0.516971078061819,0.5707199643615928,0.31299045644575424
EOS-3-39983,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cccc(C(F)F)c5)n34)ccn2)on1,MLSSTLGFTPGLEU-UHFFFAOYSA-N,3,1,0.506,97,183,434.406,4.666,5,0.384,0.74,1.0,0.6179408539510657,0.4907562881228154,0.8621924473990816,0.7833253375368378,0.6885537317524502
EOS-3-39984,Fc1cc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5ccncn5)c(F)c4)n23)cc1F,WYQSNGCXKLLDQD-UHFFFAOYSA-N,3,1,0.455,13,236,454.799,5.111,5,0.351,0.76,1.0,0.9543982592008773,0.9522222602974436,0.9754386265506134,0.9775203892810637,0.9648948838324996
EOS-3-39985,Fc1cncc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)n2)c1,DSCWQCPWHHRTMG-UHFFFAOYSA-N,3,1,0.278,10,871,454.404,3.169,6,0.374,0.55,0.697,0.036520800493454866,0.17234939346172298,0.48897436776094855,0.5414981838119388,0.3098356863820163
EOS-3-39986,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)n1,WZAKNCWTWRYYQA-UHFFFAOYSA-N,3,1,0.568,37,626,462.876,3.761,5,0.351,0.63,1.0,0.9416678089233089,0.9407682818175588,0.5370776506065382,0.557869577136591,0.7443458296209993
EOS-3-39987,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c(F)c1Cl,HRNLJFOFLIWOTM-UHFFFAOYSA-N,3,1,0.53,24,912,450.836,4.759,5,0.359,0.7,1.0,0.9100901240490713,0.872806867246933,0.9279435953670071,0.9255876910424234,0.9091070694263588
EOS-3-39988,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(-c6cnccn6)cn5)n34)c2)cn1,MSJVSCNOCDFCGS-UHFFFAOYSA-N,3,1,0.43,80,277,474.488,3.383,6,0.354,0.64,1.0,0.33202830511959425,0.22305702145157974,0.2739017202385032,0.20194811870331025,0.25773379137824687
EOS-3-39989,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cnn2)nc1,WHBACMKEQHMJMX-UHFFFAOYSA-N,3,1,0.5,58,778,432.394,2.938,5,0.377,0.57,1.0,0.8276934411623603,0.7463761908025495,0.5705057912411761,0.5739411280926598,0.6796291378246864
EOS-3-39990,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5cccs5)cn4)n23)cc1,KRYHQBABMWOBPB-UHFFFAOYSA-N,3,1,0.56,27,343,460.469,4.559,5,0.358,0.73,1.0,0.7928260571585224,0.8249006236721267,0.891816873415119,0.8244465766568433,0.8334975327256527
EOS-3-39991,Cc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c2)n(C)n1,WWENLAMIFFOFOZ-UHFFFAOYSA-N,3,1,0.469,92,986,482.508,2.156,6,0.37,0.72,1.0,0.19308135151805908,0.09475018847234597,0.015437598519635392,0.012507710232335,0.07894421218559386
EOS-3-39992,CCOc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)n5)n34)cn2)c1,YIRCLWGXIXKODH-UHFFFAOYSA-N,3,1,0.323,76,541,462.473,4.364,6,0.356,0.67,0.993,0.33203687204441096,0.26367281200740184,0.36609039819066547,0.31829552463847577,0.32002390172023853
EOS-3-39993,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)cn1,LELMVIDWXODTOV-UHFFFAOYSA-N,3,1,0.575,59,89,450.836,4.759,5,0.359,0.73,1.0,0.965158316770612,0.977460420807347,0.9530189843053938,0.9547323692687273,0.9625925227880201
EOS-3-39994,Cc1cc(CCOc2cncc3nnc(-c4cncc(-c5nnc(C)s5)c4)n23)ccn1,AULAIAYTUDWJFZ-UHFFFAOYSA-N,3,1,0.5,87,142,430.497,3.338,5,0.404,0.61,1.0,0.4277808237954904,0.2894592557055719,0.11520800493454869,0.08493249263244466,0.2293451442670139
EOS-3-39995,Cc1nc(COc2cncc3nnc(-c4ccc(F)cc4)n23)cc(-c2nc(C)n[nH]2)n1,PKJOHTNSZAGYBP-UHFFFAOYSA-N,3,1,0.535,4,32,417.408,2.701,5,0.463,0.59,1.0,0.7074138167363443,0.6849684737166747,0.16932526900143924,0.16346549242683847,0.43129326297032416
EOS-3-39996,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(-c6cccnc6)c[nH]5)nc4)n23)cc1F,SMMQCNYPBSELFP-UHFFFAOYSA-N,3,1,0.343,42,57,477.463,3.543,6,0.387,0.64,0.999,0.2532725652799671,0.2330203550133644,0.5132615996162018,0.47358817079021315,0.3682856726749366
EOS-3-39997,Cc1cc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)ncc1-c1ccccn1,DXDAHZOHDOIWPM-UHFFFAOYSA-N,3,1,0.29,30,515,442.486,4.681,6,0.391,0.64,0.808,0.10557878144061408,0.035013021725721336,0.42509937632787337,0.46427592351449526,0.257491775752176
EOS-3-39998,CCc1nc(-c2nccn2C)cnc1-c1nnc2cncc(OCCc3ccncc3F)n12,UMYREBWDIWOBBS-UHFFFAOYSA-N,3,1,0.423,65,904,445.462,2.7,5,0.376,0.57,1.0,0.49198135837159895,0.4106641080117881,0.05552223973682407,0.06348947981632513,0.25541429648413405
EOS-3-39999,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cnn1,XNDJXNYRBKUJSC-UHFFFAOYSA-N,3,1,0.545,84,265,465.851,4.196,5,0.371,0.64,1.0,0.8773987389486669,0.8919025426632856,0.835386539647728,0.8741261736686999,0.8697034987320951
EOS-3-40000,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)cc1,ADIZOLLWNIKHLU-UHFFFAOYSA-N,3,1,0.5,19,207,465.851,4.196,5,0.371,0.64,0.999,0.8419745048317456,0.8210283736549928,0.8371256253855116,0.8811339181687341,0.8453156055102461
EOS-3-40001,Cc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4cnc(F)c(Cl)c4)n23)nc1,TUUBLYSCEJEWFQ-UHFFFAOYSA-N,3,1,0.484,11,384,460.9,4.971,5,0.333,0.8,1.0,0.8689945857035158,0.8554759783428141,0.8034833116304572,0.8036203824275238,0.8328935645260778
EOS-3-40002,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnn5)n4)n23)cn1,CWFQKABHBXKYQP-UHFFFAOYSA-N,3,1,0.329,50,974,410.401,1.46,5,0.467,0.67,0.955,0.15699746419025426,0.03796861078747173,0.06312110204920841,0.04020457816462203,0.07457293879788911
EOS-3-40003,Fc1cccc(F)c1COc1cncc2nnc(-c3cccc(-c4ccnnc4)c3)n12,VJOFECMGOSFDMF-UHFFFAOYSA-N,3,1,0.531,43,962,416.391,4.106,5,0.429,0.68,1.0,0.7899304365704887,0.7763518607360702,0.909507573161538,0.9049499691590707,0.8451849599067919
EOS-3-40004,O=c1[nH]cc(-c2nnc3cncc(OCCc4ncccc4Cl)n23)cc1-c1ccnc(F)c1,ZUAKHGJNIPJAFH-UHFFFAOYSA-N,3,1,0.459,11,699,463.86,3.351,5,0.384,0.63,0.988,0.44837571105475976,0.3629206360084984,0.6204252621478994,0.6776180522239736,0.5273349153587827
EOS-3-40005,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nncc(C)n1,XDMRSDNSEKHETA-UHFFFAOYSA-N,3,1,0.429,31,456,459.445,2.511,5,0.358,0.57,0.999,0.6494328695771366,0.5181104790624358,0.13845863888698512,0.09847680076759646,0.3511196970735385
EOS-3-40008,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)nc2C)cs1,QWJSZAURTDHYHC-UHFFFAOYSA-N,3,1,0.5,46,690,421.511,3.962,5,0.424,0.66,0.999,0.35076416969364677,0.24852648893153315,0.09917072167774656,0.06860393393187582,0.19176632855870057
EOS-3-40009,Fc1cnc(Cl)nc1CCOc1cncc2nnc(-c3cncc(-c4ccccc4)c3)n12,HNYAWCGDZKJVIH-UHFFFAOYSA-N,3,1,0.478,87,137,447.861,4.057,5,0.362,0.63,1.0,0.8040572955931738,0.8391045850181619,0.5335309437324378,0.6166986498526489,0.6983478685491057
EOS-3-40010,c1cncc(-c2nccnc2-c2nnc3cncc(-c4cnnc(-c5ccnnc5)c4)n23)c1,DJCCWBJLMHHDRO-UHFFFAOYSA-N,3,1,0.245,86,719,431.423,2.557,6,0.41,0.51,1.0,0.12390343362346652,0.04157528613528887,0.172606401206223,0.2140531834692619,0.13803457610856007
EOS-3-40011,Cc1cnc(-c2nnc3cncc(-c4cc(-c5cccnc5Cl)ccc4F)n23)cn1,DGQYBYLXYDNBHQ-UHFFFAOYSA-N,3,1,0.3,96,478,417.835,4.411,5,0.404,0.73,0.999,0.3170533205400589,0.4153502158865054,0.7664998971969021,0.8205914604893427,0.5798737235282023
EOS-3-40012,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)c(C)n1,NMJLGARPNFDXKR-UHFFFAOYSA-N,3,1,0.414,31,194,459.901,3.325,5,0.352,0.62,1.0,0.5806233294496608,0.5364950997190049,0.21999006236721266,0.19887259269412652,0.3839952710575012
EOS-3-40013,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)ccn1,ZOAYXFBGJIVZLE-UHFFFAOYSA-N,3,1,0.489,65,359,417.408,2.137,5,0.413,0.61,1.0,0.6318192721540675,0.43789836200397503,0.10165512987458022,0.09445891302857926,0.31645791926530054
EOS-3-40014,c1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)nc1,FJDXKBPNIJBGAG-UHFFFAOYSA-N,3,1,0.234,86,588,426.425,2.817,6,0.414,0.54,0.914,0.1002758549790967,0.12002261668151601,0.025332396682886713,0.035672674936604754,0.07032588582002605
EOS-3-40015,Clc1cncc(-c2cccc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)c1,LGBVHNRBSKENGJ-UHFFFAOYSA-N,3,1,0.4,13,417,435.274,5.347,5,0.379,0.77,1.0,0.6952402165718594,0.7141045850181619,0.85001028030978,0.8964515797409361,0.7889516654101844
EOS-3-40016,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)sc1F,MWYURWNEUDHKBY-UHFFFAOYSA-N,3,1,0.462,44,481,437.435,3.605,5,0.401,0.58,0.676,0.7164433554931122,0.5643461722979919,0.4469107669111096,0.45179391405661024,0.544873552189706
EOS-3-40018,Fc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,CMDZODSKKNPQFX-UHFFFAOYSA-N,3,1,0.326,32,174,441.451,4.771,6,0.389,0.67,0.988,0.3320454389692276,0.4508001507778768,0.6720495510931396,0.6745853608388733,0.5323701254197793
EOS-3-40019,COc1cc(F)cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)n1,ZBKBNGLGXXIPLX-UHFFFAOYSA-N,3,1,0.341,25,373,480.467,3.254,6,0.366,0.73,1.0,0.3623209512713316,0.42880028784867386,0.2995168254403399,0.28150058255088756,0.3430346617778083
EOS-3-40020,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cn1,NFQFSZZMKFOCJR-UHFFFAOYSA-N,3,1,0.516,87,207,414.404,2.799,5,0.391,0.71,1.0,0.5723562470015763,0.5600455760400247,0.3660989651154821,0.3759080940305668,0.4686022205469125
EOS-3-40021,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)ncn1,AWSXBXVRSHQKAX-UHFFFAOYSA-N,3,1,0.522,72,889,414.404,2.799,5,0.391,0.71,1.0,0.9116493043657049,0.8864539784798848,0.4032965526694538,0.3854859159756014,0.6467214378726612
EOS-3-40022,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)cn1,ONEAAHOKIMFFCD-UHFFFAOYSA-N,3,1,0.477,54,411,414.404,2.799,5,0.391,0.71,0.997,0.7816976218216709,0.6509749160441368,0.29604722088958946,0.3092402851072579,0.5094900109656637
EOS-3-40023,Cc1cc(OC(F)F)ccc1-c1nnc2cncc(-c3ccc(-c4ccnn4C)s3)n12,RDSKNDIYVQYWCF-UHFFFAOYSA-N,3,1,0.427,74,121,438.463,4.83,5,0.393,0.72,1.0,0.36007641696936465,0.4641816873415119,0.8119302994996916,0.7434034678911657,0.5948979679254335
EOS-3-40024,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)s1,SSCQBMFKMBONBG-UHFFFAOYSA-N,3,1,0.446,2,142,454.878,3.78,5,0.369,0.64,1.0,0.6123723528202316,0.5736584195737098,0.410175793297238,0.43603077239394145,0.5080593345212803
EOS-3-40025,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc(Cl)n1,OIIKGCNUZXJWDA-UHFFFAOYSA-N,3,1,0.438,51,924,455.269,2.658,5,0.368,0.57,0.981,0.36008498389418137,0.43790692892879174,0.16604413679665547,0.2517562195874169,0.3039480673017614
EOS-3-40026,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)o5)cnn4)n23)c(F)c1,VITWOGQNYAHBDN-UHFFFAOYSA-N,3,1,0.471,4,534,417.404,3.571,5,0.427,0.66,1.0,0.652465560962237,0.67503084092934,0.49551093139606606,0.41053560413953805,0.5583857343567953
EOS-3-40027,FC(F)Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)[nH]n2)cn1,PBXVBCGKHYRGJS-UHFFFAOYSA-N,3,1,0.354,51,48,470.831,2.801,5,0.381,0.61,1.0,0.4391062984031252,0.3868309231718182,0.34741450209032965,0.35971660612706463,0.38326708244808444
EOS-3-40028,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)c(F)c2)cn1,RQZXTVUKHCYMDK-UHFFFAOYSA-N,3,1,0.536,43,138,468.414,4.929,5,0.342,0.81,1.0,0.7957131108217395,0.8322510451648276,0.992598176958399,0.979653553560414,0.900053971626345
EOS-3-40029,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)ccn1,JGDPYSLDIICTSK-UHFFFAOYSA-N,3,1,0.61,75,496,413.416,3.404,5,0.394,0.75,1.0,0.8014700842985402,0.704843739291344,0.6233465835103831,0.580332054005894,0.6774981152765405
EOS-3-40031,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)ncn1,VAMTTWIREQZFKQ-UHFFFAOYSA-N,3,1,0.48,65,76,444.886,3.622,5,0.366,0.59,1.0,0.6981101363854431,0.6998320882735933,0.47483037488863,0.44223322596120895,0.5787514563772188
EOS-3-40032,CC#Cc1nc(-c2ccc(F)nc2)cc(-c2cncc3nnc(-c4cnc(C)nc4)n23)n1,CSIXEHBVFKWRDQ-UHFFFAOYSA-N,3,1,0.289,50,489,423.415,2.919,5,0.322,0.7,0.997,0.24252964155986567,0.33382735933109453,0.32884140908779386,0.2696353916798026,0.29370845041463917
EOS-3-40033,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)nc1,IXUGCTCELZLHRG-UHFFFAOYSA-N,3,1,0.442,6,843,468.506,3.079,6,0.363,0.63,1.0,0.28801144541155504,0.2230655883763964,0.12934343088205058,0.10902268521691454,0.18736078747172913
EOS-3-40034,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(C#N)cc6)s5)n34)cn2)n1,QKAWAZYPPOWBDS-UHFFFAOYSA-N,3,1,0.38,76,321,462.498,4.812,6,0.366,0.73,1.0,0.28802001233637176,0.37264409567541634,0.44691933383592625,0.4611232951819615,0.392176684257419
EOS-3-40035,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ncn1,DZGFRFAUFCZBKQ-UHFFFAOYSA-N,3,1,0.357,31,194,452.841,2.186,5,0.381,0.54,0.888,0.49956308683434997,0.3914399287231855,0.16933383592625592,0.2078935645260777,0.3170576040024673
EOS-3-40036,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3cccnn3)n12,GWLQKSDGBFPHQV-UHFFFAOYSA-N,3,1,0.468,31,456,441.455,2.372,5,0.371,0.55,1.0,0.40064080597628676,0.17679562744157357,0.06120211089027483,0.030404016174354054,0.1672606401206223
EOS-3-40037,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cc4)n23)c(F)c1,SHECTMFAWVCDHJ-UHFFFAOYSA-N,3,1,0.556,43,433,412.428,4.275,5,0.429,0.82,1.0,0.910098690973888,0.8785638407237338,0.8054537043382908,0.7666455349187855,0.8401904427386746
EOS-3-40038,CCCn1nc(C)nc1-c1ncccc1-c1nnc2cncc(-c3cnn(CC)c3)n12,BSSQBMBXTQDHPC-UHFFFAOYSA-N,3,1,0.265,92,974,414.477,3.047,5,0.42,0.73,1.0,0.01637139332465218,0.013664245082585156,0.0038294153930505106,0.002407305873483654,0.009068089918442875
EOS-3-40039,CCCc1cc(-c2ncc(F)cn2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,IORXHINQJLAOHT-UHFFFAOYSA-N,3,1,0.454,18,840,456.485,3.751,5,0.348,0.62,1.0,0.6179494208758823,0.5273713247892536,0.19208758823932562,0.1768213282160236,0.3785574155301213
EOS-3-40040,Fc1ccc(-c2nccnc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1F,NWFSDQBEBSXPLE-UHFFFAOYSA-N,3,1,0.405,50,243,438.348,3.921,5,0.31,0.7,0.28,0.3692772942224659,0.6127749982866151,0.8283530943732438,0.8145774792680419,0.6562457165375917
EOS-3-40041,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1-c1nnco1,SHRHHTBFMAFYAS-UHFFFAOYSA-N,3,1,0.523,72,51,453.384,3.935,5,0.365,0.64,0.996,0.9005380028784867,0.8615756288122816,0.7249160441367967,0.6976389555205263,0.7961671578370229
EOS-3-40042,CCc1nnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)c2)s1,YUPMIMQDFWLECN-UHFFFAOYSA-N,3,1,0.427,72,374,435.9,4.713,5,0.369,0.75,1.0,0.4342402851072579,0.5505448564183401,0.24147590980741554,0.3060448221506408,0.3830764683709136
EOS-3-40043,OCCc1nc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)ccc1F,PIIVBLJBWYMHMA-UHFFFAOYSA-N,3,1,0.541,4,744,448.483,3.563,5,0.406,0.57,1.0,0.5668048797203755,0.5001970392707834,0.5335395106572545,0.4978240010965664,0.524591357686245
EOS-3-40044,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nn1,IOXHJHFZTUAPTF-UHFFFAOYSA-N,3,1,0.528,37,589,462.876,3.761,5,0.375,0.58,1.0,0.7347508738263313,0.8093002535809746,0.44344116236035913,0.5012336371736001,0.6221814817353163
EOS-3-40045,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)n1,WLZHZOPJCGVIOS-UHFFFAOYSA-N,3,1,0.414,18,531,462.876,3.761,5,0.375,0.58,0.967,0.6981187033102597,0.6127835652114317,0.36610753204029883,0.4328524432869577,0.5274655609622371
EOS-3-40047,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncnn6)s5)n34)cn2)nn1,CWDSLTSKPBKGQC-UHFFFAOYSA-N,3,1,0.302,70,719,471.897,3.272,6,0.377,0.62,0.793,0.14017202385031868,0.2583356178466178,0.12632787334658352,0.20498937701322734,0.18245622301418685
EOS-3-40048,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)n(C)n1,POUFTMQXBJGQSH-UHFFFAOYSA-N,3,1,0.523,51,446,467.32,4.176,5,0.383,0.66,1.0,0.46485847440202865,0.709435610993078,0.4783342471386471,0.537908642313755,0.5476342437118772
EOS-3-40049,Fc1ccc(-c2cncc(-c3nnc4cncc(Cc5cnc(F)c(Cl)c5)n34)c2)nc1,KNJHSAVZSJNGOX-UHFFFAOYSA-N,3,1,0.351,2,422,435.825,4.166,5,0.394,0.6,0.999,0.35535604139538074,0.4379154958536084,0.8664502090329655,0.8935730930025358,0.6383237098211226
EOS-3-40050,Cc1cc(Oc2ncccn2)ccc1-c1cncc2nnc(-c3cnc(CO)cn3)n12,APHXVBLARAHVGL-UHFFFAOYSA-N,3,1,0.271,82,155,412.413,2.631,5,0.464,0.74,1.0,0.3013929819751902,0.1810191213761908,0.2486207251045165,0.17419128229730657,0.22630602768830105
EOS-3-40051,COc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cc(F)cnc1F,AMZLVAFPZISUES-UHFFFAOYSA-N,3,1,0.479,35,657,461.432,3.552,5,0.339,0.65,1.0,0.8419830717565623,0.6750394078541567,0.6472226029744363,0.5415067507367556,0.6764379583304777
EOS-3-40052,C#Cc1ncc(COc2cncc3nnc(-c4cc(-c5ncccc5F)ccn4)n23)nc1Cl,LOEFDZXWDDCNMX-UHFFFAOYSA-N,3,1,0.415,46,181,458.844,3.391,5,0.369,0.61,0.997,0.5402731135631553,0.5688952093756425,0.4819494894112809,0.5113597423069015,0.5256193886642451
EOS-3-40053,FC(F)c1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)no2)nn1,QJYNQCSROVKHSI-UHFFFAOYSA-N,3,1,0.535,4,32,455.812,4.406,5,0.371,0.68,1.0,0.7899390034953053,0.8615841957370982,0.7686758961003358,0.7642210951956686,0.796105047632102
EOS-3-40054,COc1cc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)ccc1-c1cncn1C,DAAMYQUZUPFWLO-UHFFFAOYSA-N,3,1,0.5,15,771,461.913,3.87,5,0.34,0.65,1.0,0.767562195874169,0.5643547392228085,0.5770766225755602,0.4764666575286135,0.5963650538002878
EOS-3-40055,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)c1,BRCDMKSCDZXWIC-UHFFFAOYSA-N,3,1,0.381,31,643,465.88,3.274,5,0.36,0.61,0.392,0.429982523473374,0.3440477006373792,0.3661160989651155,0.38549448290041805,0.38141020149407173
EOS-3-40056,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)nc4Cl)n23)n(C)n1,PBYQKWDBCLTWPP-UHFFFAOYSA-N,3,1,0.409,92,662,435.879,2.861,5,0.391,0.61,1.0,0.29892570762798987,0.38683949009663493,0.10441367966554725,0.08855630182989514,0.21968379480501682
EOS-3-40057,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccnnc5)n34)c(F)c2)cn1,VJPYEEQIXLXTNC-UHFFFAOYSA-N,3,1,0.304,42,693,461.464,4.215,6,0.384,0.59,1.0,0.26912137619080256,0.32477211979987664,0.5739154273182099,0.5675330683297923,0.43383549790967035
EOS-3-40058,CCc1nn(CC)cc1-c1cncc2nnc(-c3cnc(-c4cccc(F)c4)nc3)n12,YNQGQUZHYUDGEY-UHFFFAOYSA-N,3,1,0.405,82,336,414.448,3.833,5,0.434,0.76,1.0,0.08831642793502845,0.19858988417517648,0.1726149681310397,0.21406175039407854,0.1683957576588308
EOS-3-40059,Cn1cc(-c2nnc3cncc(Oc4ccc(OC(F)F)cc4)n23)cc1-c1cccnn1,HWBJJKAGSDGRLP-UHFFFAOYSA-N,3,1,0.57,13,996,435.394,3.981,5,0.398,0.62,1.0,0.5557192790076074,0.5457216777465561,0.8353951065725447,0.7691727777397026,0.6765022102666027
EOS-3-40060,Cc1cc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)nn2)n(C)n1,NBSGYRBKACBLPF-UHFFFAOYSA-N,3,1,0.351,53,542,453.388,3.554,5,0.398,0.59,0.851,0.43911486532794186,0.45080871770269343,0.5335480775820711,0.45489514084024396,0.4695917003632376
EOS-3-40061,Cc1cc(-c2nnc3cncc(OCc4cnc(Cl)cc4Cl)n23)ccc1Cl,OPDHERMWGYHXTJ-UHFFFAOYSA-N,3,1,0.592,90,555,420.687,5.034,4,0.433,0.75,1.0,0.857771914193681,0.9179888287300391,0.9485641834007265,0.9689962990884792,0.9233303063532314
EOS-3-40062,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)cc3F)n12,FEUREOOZGSIZNT-UHFFFAOYSA-N,3,1,0.58,35,352,435.459,4.815,5,0.383,0.7,1.0,0.897513878418203,0.8943355493112193,0.8720015763141663,0.8782982660544171,0.8855373175245014
EOS-3-40063,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)nc2)cn1,OIHLLKAXXGFJFG-UHFFFAOYSA-N,3,1,0.389,46,62,448.849,3.718,5,0.375,0.58,1.0,0.792834624083339,0.7325063395243643,0.614377013227332,0.5803406209307107,0.6800146494414365
EOS-3-40064,COc1ncccc1-c1cncc2nnc(-c3ccc(-c4cnc(C)s4)cc3Cl)n12,VUJFCIXYGLBQCC-UHFFFAOYSA-N,3,1,0.347,96,478,434.912,4.947,5,0.398,0.71,1.0,0.3985247755465698,0.49567370296758273,0.5436313480912891,0.5079158385306011,0.4864364162840107
EOS-3-40065,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cn5)n34)nc2)nc1,DAWRDEMCQLIQHR-UHFFFAOYSA-N,3,1,0.29,32,687,464.439,4.651,6,0.351,0.71,1.0,0.2909156329244055,0.4333236241518744,0.7908385306010555,0.8036289493523405,0.579676684257419
EOS-3-40066,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4nc(C)c(F)[nH]4)nc3)n12,GIRYEIIECZPBIE-UHFFFAOYSA-N,3,1,0.505,31,986,433.451,2.687,5,0.438,0.6,1.0,0.3507727366184634,0.4058751970392708,0.11521657185936536,0.0798351723665273,0.23792491947090672
EOS-3-40067,Fc1cnccc1CCOc1cncc2nnc(-c3cccc(-c4ccccn4)c3)n12,PHGGBVBKNMHGJH-UHFFFAOYSA-N,3,1,0.558,11,201,412.428,4.009,5,0.419,0.78,1.0,0.8466177780823796,0.8014529504489069,0.7043811253512439,0.6920704543896923,0.7611305770680556
EOS-3-40068,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)cc1Cl,NCRQCNXFFYOJRM-UHFFFAOYSA-N,3,1,0.597,57,236,435.821,5.577,5,0.369,0.84,1.0,0.9264786512233568,0.9458399013090261,0.9726886436844631,0.9807415530121307,0.9564371873072443
EOS-3-40069,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)cn5)ncc4F)n23)cc1,QZSJRTLLPUMOGE-UHFFFAOYSA-N,3,1,0.474,89,731,484.495,3.42,5,0.373,0.78,1.0,0.6802994996915908,0.372652662600233,0.31420910150092524,0.18808683434994175,0.3888120245356727
EOS-3-40070,Cn1nc(-c2cncc3nnc(-c4ccc(-c5nnc(CO)o5)cn4)n23)cc1-c1nnco1,RDKWSKDTRQRQGU-UHFFFAOYSA-N,3,1,0.255,99,813,443.387,1.179,6,0.404,0.58,0.81,0.09555547940511275,0.08207970666849428,0.016945377287368925,0.013081694195051743,0.05191556438900692
EOS-3-40071,Cc1nnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)s1,FDVABNKEERGJKN-UHFFFAOYSA-N,3,1,0.512,34,607,454.437,4.615,5,0.386,0.67,1.0,0.734759440751148,0.7418271537248989,0.8246264820779933,0.8346240833390446,0.7839592899732712
EOS-3-40072,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)cc3)n12,PNMVUKHAMZOHJP-UHFFFAOYSA-N,3,1,0.615,35,982,417.469,4.675,5,0.402,0.76,1.0,0.9264872181481736,0.9035192927146871,0.7887139332465218,0.7810979370845041,0.8499545952984717
EOS-3-40073,Clc1cc(CCOc2cncc3nnc(-c4cccc(-c5nc[nH]n5)c4)n23)ccn1,VEMGJSBIWPANSO-UHFFFAOYSA-N,3,1,0.554,15,438,418.848,3.246,5,0.422,0.62,1.0,0.8347782879857446,0.8132753066959084,0.4541669522308272,0.4735967377150298,0.6439543211568775
EOS-3-40074,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)sn1,FZWITRJZFBPBFL-UHFFFAOYSA-N,3,1,0.588,16,256,419.445,3.731,5,0.429,0.67,1.0,0.6832807895277911,0.6220015763141663,0.34350798437392915,0.3242923720101432,0.4932706805565074
EOS-3-40075,Cc1ncncc1-c1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1F,JFZOPIAJGZDKES-UHFFFAOYSA-N,3,1,0.512,16,253,419.445,3.731,5,0.429,0.67,0.973,0.6981272702350764,0.6947604687821259,0.5235162086217532,0.482540607223631,0.5997361387156467
EOS-3-40076,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5ccccc5F)s4)n23)cc1,OGJPOKACAGTNKS-UHFFFAOYSA-N,3,1,0.346,64,27,470.468,4.712,6,0.368,0.77,0.978,0.13769618257830168,0.31485162086217533,0.40705743266397093,0.5863717360016448,0.3614942430265232
EOS-3-40077,Cc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3cncs3)n12,JAOYMOSNCUMPGJ-UHFFFAOYSA-N,3,1,0.488,26,619,417.498,3.578,5,0.42,0.67,1.0,0.42778939072030703,0.26885580152148586,0.27391028716331983,0.2109262559111781,0.29537043382907274
EOS-3-40078,Cn1c(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cnc1Cl,GIVAAERQEALAOM-UHFFFAOYSA-N,3,1,0.44,31,466,433.863,2.652,5,0.402,0.54,1.0,0.4531132204783771,0.3914484956480022,0.22333972997052978,0.2486464258789665,0.3291369679939689
EOS-3-40079,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ncon5)nc4)n23)ccc1-c1ccncc1,LSSRPZSIVPZFLX-UHFFFAOYSA-N,3,1,0.524,80,8,467.424,3.411,6,0.359,0.63,1.0,0.7817061887464876,0.6080203550133644,0.39986121581796996,0.4039133712562539,0.5483752827085189
EOS-3-40080,CCn1c(-c2cc(Cl)ccc2F)nnc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,OJUIBFPYHHNGBU-UHFFFAOYSA-N,3,1,0.423,22,252,454.296,5.183,5,0.374,0.78,1.0,0.2963984648070728,0.6459032965526694,0.5959666917963128,0.8346326502638612,0.593225275854979
EOS-3-40081,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)n2)cs1,MLJWUCRKQZORKP-UHFFFAOYSA-N,3,1,0.511,4,268,464.938,4.343,5,0.399,0.7,0.999,0.6981358371598931,0.7505397162634501,0.5705143581659927,0.5415153176615722,0.640176307312727
EOS-3-40082,COCc1ccc(-c2cncc3nnc(-c4c(F)cncc4-c4ccc(Cl)c(F)c4)n23)cn1,UCYBPZRIZSYCQZ-UHFFFAOYSA-N,3,1,0.327,45,575,464.863,4.993,5,0.364,0.76,0.999,0.4772633815365636,0.5892416558152286,0.9297512165033239,0.935139812213008,0.732849016517031
EOS-3-40083,N#Cc1cccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)c1,GPUXGJFKMNFJTC-UHFFFAOYSA-N,3,1,0.478,13,145,442.841,5.31,5,0.374,0.79,1.0,0.8625008566924817,0.8836697279144679,0.9567541635254609,0.9633335617846618,0.9165645774792681
EOS-3-40084,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)o1,SKTCTHVJRMLIAE-UHFFFAOYSA-N,3,1,0.266,30,220,431.459,4.879,6,0.393,0.69,0.883,0.07324720718250977,0.06779864299910904,0.3180213830443424,0.3919025426632856,0.2127424439723117
EOS-3-40085,Clc1ccc(-c2nnc3cncc(-c4cccc(-c5cncs5)n4)n23)cc1-c1ncon1,BBLLMBOECJGYQT-UHFFFAOYSA-N,3,1,0.354,32,977,458.894,4.68,6,0.374,0.69,1.0,0.3170618874648756,0.4684565828250291,0.4212613940100062,0.5113683092317182,0.4295370433829072
EOS-3-40086,Fc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,BROBTMFOBSKUAU-UHFFFAOYSA-N,3,1,0.467,54,873,448.849,3.452,5,0.364,0.58,1.0,0.740662051949832,0.7094441779178946,0.5025957782194503,0.5803491878555274,0.6332627989856761
EOS-3-40087,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cc[nH]n5)cc4)n23)ccc1Cl,ICNCVTCRBADLMR-UHFFFAOYSA-N,3,1,0.573,43,230,416.872,4.722,5,0.448,0.74,1.0,0.9359536700705915,0.8890240559248852,0.8531457747926804,0.8442533068329793,0.880594201905284
EOS-3-40089,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ncc(Cl)cn4)n23)s1,YMMOGAMTKDAEQE-UHFFFAOYSA-N,3,1,0.267,86,902,472.925,3.821,6,0.38,0.66,0.903,0.11324617915153176,0.18519121376190803,0.14428414776231924,0.2079021314508944,0.16265591803166335
EOS-3-40090,Fc1cccnc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)ncn3)n12,LOANLJSPLNBQOY-UHFFFAOYSA-N,3,1,0.415,18,296,415.392,2.194,5,0.411,0.66,0.874,0.569811870331026,0.4684651497498458,0.18217565622644097,0.19602837365499282,0.3541202624905764
EOS-3-40091,CCc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(OC)n4)n23)n(C)n1,FWKYOVLALHAVTH-UHFFFAOYSA-N,3,1,0.364,31,896,461.461,2.666,5,0.36,0.63,0.994,0.3738862997738332,0.35336851483791376,0.06312966897402508,0.03041258309917072,0.2051992666712357
EOS-3-40092,CCn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5cnc(C)cn5)ncn4)n23)n1,RFFUXBBUNBFAQP-UHFFFAOYSA-N,3,1,0.356,31,296,462.905,2.838,5,0.359,0.62,0.999,0.23718388047426495,0.20307038585429374,0.0387482009457885,0.04663833870193955,0.13141020149407168
EOS-3-40093,Cc1c(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)ccc(F)c1-c1cn(C)cn1,BTDNNUXIVLHLGJ-UHFFFAOYSA-N,3,1,0.477,16,772,451.412,3.892,5,0.377,0.62,1.0,0.7196645192241793,0.6606726749366048,0.8137464875608251,0.7512507710232335,0.7363336131862106
EOS-3-40094,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)c2)cnc1F,GOJCLVWPMNVLRN-UHFFFAOYSA-N,3,1,0.43,2,419,448.849,3.718,5,0.375,0.61,1.0,0.5429716948804058,0.6176495785072991,0.6442755808375026,0.6401206223014186,0.6112543691316565
EOS-3-40095,Cc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(C(F)(F)F)c(C(F)F)n3)n12,UXUBYACHHSDFPE-UHFFFAOYSA-N,3,1,0.265,68,455,435.36,4.65,5,0.437,0.65,0.889,0.0955640463299294,0.20307895277911042,0.8622010143238983,0.8364745390994449,0.4993296381330957
EOS-3-40096,Cn1nc(-c2ncc(F)nn2)cc1COc1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,PMOQJCFRZQLDHZ-UHFFFAOYSA-N,3,1,0.541,36,391,455.816,2.887,5,0.398,0.54,1.0,0.5981341237749298,0.7932287026249057,0.40330511959427046,0.4916472483037489,0.5715787985744638
EOS-3-40097,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)[nH]n2)nc1,ZUAXPSFKYHSRMB-UHFFFAOYSA-N,3,1,0.394,58,963,432.875,3.555,5,0.409,0.6,0.999,0.4670773079295456,0.4554177232540607,0.29952539236515663,0.3243009389349599,0.3865803406209307
EOS-3-40098,Cc1csc(COc2cncc3nnc(-c4cnnc(-c5cnc(C)nc5C)c4)n23)n1,BRJYOGOARONCBH-UHFFFAOYSA-N,3,1,0.433,92,567,431.485,2.999,5,0.414,0.59,1.0,0.2556370365293674,0.21765129189226234,0.03875676787060517,0.01994380097320266,0.1329972243163594
EOS-3-40099,Cc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccc1Cl,KFMWDRZBNPWZRH-UHFFFAOYSA-N,3,1,0.32,63,108,404.861,3.707,5,0.56,0.93,1.0,0.1819443492563909,0.25337536837776714,0.30323487081077377,0.45490370776506067,0.2983645740524981
EOS-3-40100,Clc1cccc(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)n1,KOSIHZGIKOEIIX-UHFFFAOYSA-N,3,1,0.548,1,31,420.885,4.542,5,0.388,0.74,1.0,0.47961928586114727,0.5843328078952779,0.5959752587211294,0.6281269275580837,0.5720135700089095
EOS-3-40101,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3cccc(Cl)n3)n12,CKHLMEDTUSHNRA-UHFFFAOYSA-N,3,1,0.453,4,804,448.874,3.223,5,0.364,0.61,1.0,0.45312178740319375,0.40588376396408743,0.19892399424302654,0.15832533753683778,0.3040637207867864
EOS-3-40102,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2F)no1,WBYWSEJLSHAZQT-UHFFFAOYSA-N,3,1,0.447,89,398,486.467,3.155,6,0.368,0.84,1.0,0.44362106778150917,0.3201545473236927,0.07132821602357618,0.08494105955726132,0.23001122267150984
EOS-3-40103,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)ccc1F,AHFZJMAFVBYKPP-UHFFFAOYSA-N,3,1,0.517,27,911,469.402,4.324,5,0.357,0.71,1.0,0.6067267493660475,0.7463847577273662,0.9802104036734973,0.9488640257693098,0.8205464841340552
EOS-3-40104,Cc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)s1,YLIKLBDRTKIWKE-UHFFFAOYSA-N,3,1,0.529,4,391,453.89,4.385,5,0.39,0.67,1.0,0.7104036734973613,0.8493334932492632,0.5540315948187239,0.5955469124802961,0.6773289185114111
EOS-3-40105,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1Cl,CVIDNWMNHKIURK-UHFFFAOYSA-N,3,1,0.588,35,626,466.332,4.515,5,0.343,0.71,1.0,0.8867366869988349,0.8493420601740799,0.6937752724282091,0.7330460557878145,0.7907250188472346
EOS-3-40106,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)c(F)c1,MMLIZILSQVYGEI-UHFFFAOYSA-N,3,1,0.416,66,455,475.381,3.519,5,0.351,0.66,1.0,0.30140154890000687,0.4597097525872113,0.8246350490028099,0.7878572407648551,0.5934008978137207
EOS-3-40107,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnco5)nn4)n23)cc1F,LJJUYZAUSVSMNS-UHFFFAOYSA-N,3,1,0.473,56,614,471.416,2.145,6,0.352,0.62,1.0,0.49434582962099927,0.5047803440477007,0.10684668631348092,0.11141285724076486,0.3043464293057364
EOS-3-40108,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1ncc(F)cn1,PITGLOMWPLVFAP-UHFFFAOYSA-N,3,1,0.633,13,209,466.835,4.981,5,0.361,0.74,1.0,0.9615516414227949,0.9101158248235214,0.8999982866150367,0.8783068329792337,0.9124931464601467
EOS-3-40109,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)nn1C,VDXCDSWUIAAHBA-UHFFFAOYSA-N,3,1,0.5,36,677,418.436,2.952,5,0.436,0.61,1.0,0.48446816530738124,0.5181190459872524,0.2995339592899733,0.222405935165513,0.38113177643753
EOS-3-40110,Cn1ncnc1CCc1cncc2nnc(-c3cnc(Cl)c(-c4ccc(F)nc4)c3)n12,OYWNUCGGTANPGA-UHFFFAOYSA-N,3,1,0.341,85,580,435.854,2.955,5,0.391,0.61,1.0,0.29092419984922213,0.36292920293331504,0.21999862929202935,0.34688335275169624,0.3051838462065657
EOS-3-40112,Cc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cc5F)ncn4)n23)n1,JTNRJVBFDCSGBV-UHFFFAOYSA-N,3,1,0.453,44,130,446.421,3.246,5,0.392,0.54,0.998,0.7104122404221781,0.5843413748200946,0.4541755191556439,0.4705383455554794,0.554866869988349
EOS-3-40113,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ncn1,TYHVILZNPWZBBR-UHFFFAOYSA-N,3,1,0.435,36,185,420.824,2.004,5,0.393,0.6,1.0,0.4159756013981221,0.5892502227400452,0.10957096840518128,0.14058323624151875,0.31384500719621683
EOS-3-40114,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnnc5)ccc4Cl)n23)cc1,RKODYJFWIHMSQL-UHFFFAOYSA-N,3,1,0.64,43,372,449.301,5.134,5,0.37,0.72,1.0,0.9158642313755054,0.970212802412446,0.9289544924953739,0.9502175998903434,0.9413122815434172
EOS-3-40115,Cc1c(-c2cncc3nnc(-c4ccc(-c5cn(C)nn5)cc4)n23)c(-c2ncccc2F)nn1C,WJDDHSZMDCGTTK-UHFFFAOYSA-N,3,1,0.302,98,882,466.484,3.497,6,0.392,0.57,1.0,0.07934685765197724,0.19393804399972586,0.1758104310876568,0.20195668562812694,0.1627630045918717
EOS-3-40116,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)cc(Cl)n2)nn1,AOBGCWHOXYOWOB-UHFFFAOYSA-N,3,1,0.647,19,73,461.888,4.366,5,0.347,0.68,0.999,0.7872489891028717,0.864454115550682,0.6319049414022343,0.6570231649647043,0.7351578027551231
EOS-3-40117,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)n5)n34)c2)s1,FZTQMNDOECQATO-UHFFFAOYSA-N,3,1,0.484,27,506,470.44,4.006,5,0.38,0.67,1.0,0.5583750257007745,0.622010143238983,0.560242615310808,0.37285826879583306,0.5283715132615996
EOS-3-40118,CCc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5nccn5C)c4)n23)c(F)n1,XWNOXDCUBRECPC-UHFFFAOYSA-N,3,1,0.506,16,353,447.449,4.006,5,0.366,0.67,1.0,0.7104208073469948,0.6750479747789734,0.631913508327051,0.5448649852648894,0.6405618189294771
EOS-3-40119,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(F)cn5)cc4F)n23)cc1,AXZWRGLZFUTSET-UHFFFAOYSA-N,3,1,0.451,62,451,485.454,4.211,6,0.384,0.85,1.0,0.6981444040847098,0.4508172846275101,0.502604345144267,0.52460420807347,0.5440425604824892
EOS-3-40120,N#Cc1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nn5)nc4)n23)c(F)c1,JEQWJLZLVZBESG-UHFFFAOYSA-N,3,1,0.387,96,140,412.363,3.46,5,0.447,0.71,0.821,0.39199677883626893,0.5505534233431567,0.8418288671098623,0.8599564800219314,0.6610838873278049
EOS-3-40121,N#Cc1ccc(F)cc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1,PHCXELGTNUIERZ-UHFFFAOYSA-N,3,1,0.394,13,412,443.829,4.705,5,0.371,0.72,1.0,0.8905318346926188,0.9334092934000411,0.9219039133712562,0.9245853608388733,0.9176076005756973
EOS-3-40122,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)n1,QOTIPDTYYWIVEN-UHFFFAOYSA-N,3,1,0.539,11,848,418.457,4.07,5,0.387,0.73,1.0,0.7817147556713042,0.727743129326297,0.4505431430333767,0.4453858542937427,0.6013467205811802
EOS-3-40123,Cn1cc(COc2cncc3nnc(-c4ccnc(-c5cncc(CF)c5)c4)n23)cn1,AQPVFIULVKLQTM-UHFFFAOYSA-N,3,1,0.44,92,329,416.42,3.03,5,0.42,0.67,1.0,0.360093550818998,0.2688643684463025,0.4889829346857652,0.3888527174285518,0.3766983928449044
EOS-3-40124,Cc1nc(-c2ccnn2C)ccc1-c1nnc2cncc(OCc3cc(C)n(C)n3)n12,SDFNZYBRHXVDCS-UHFFFAOYSA-N,3,1,0.433,92,662,415.461,2.516,5,0.435,0.68,1.0,0.22901960112398054,0.17680419436639025,0.06507436090740867,0.024818381193886643,0.12392913439791652
EOS-3-40125,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)n(C(C)C)n1,HFKJZMJBBBIQTR-UHFFFAOYSA-N,3,1,0.366,31,105,462.905,3.357,5,0.373,0.64,0.979,0.2691299431156192,0.3868480570214516,0.046347063258172845,0.0402131450894387,0.18563455212117058
EOS-3-40126,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccnn6C)ncn5)n34)cn2)n1,BPXQVMOCCFCTCA-UHFFFAOYSA-N,3,1,0.287,86,968,447.466,2.809,6,0.401,0.53,1.0,0.06182749640189158,0.035021588650538005,0.14720546912480295,0.11841203481598246,0.09061664724830375
EOS-3-40127,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cnn2)cn1,DWIORVJAKKJIOK-UHFFFAOYSA-N,3,1,0.472,56,2,462.477,3.018,6,0.367,0.56,1.0,0.5120108285929683,0.2738674525392365,0.31035398533342473,0.23720958124871497,0.33336046192858615
EOS-3-40128,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)cn1,YDQPDVKYSDJEEJ-UHFFFAOYSA-N,3,1,0.5,55,525,421.873,3.937,5,0.397,0.67,1.0,0.5836560208347612,0.6176581454321157,0.47156637653347955,0.5079244054554177,0.5452012370639435
EOS-3-40129,CCNC(=O)c1ccc(-c2nnc3cncc(C(OC)c4ccc(F)cc4)n23)cc1,FPCLMDMZDNYDAN-UHFFFAOYSA-N,3,1,0.467,0,646,405.433,3.416,4,0.532,0.87,1.0,0.5144352683160852,0.5273798917140703,0.8209341374820095,0.6805736412857241,0.6358307346994723
EOS-3-40130,FC(F)c1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nn5)c4)n23)nn1,KIWGTQOLEKSPMD-UHFFFAOYSA-N,3,1,0.472,53,52,467.827,3.603,5,0.369,0.59,1.0,0.5698204372558426,0.69984065519841,0.5895586320334453,0.5578781440614077,0.6042744671372764
EOS-3-40131,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1-c1ccc(F)cn1,VIPFAVVNQIECFE-UHFFFAOYSA-N,3,1,0.402,46,564,454.828,3.492,5,0.401,0.57,1.0,0.4796278527859639,0.44202761976560895,0.6586423137550544,0.7031046535535604,0.5708506099650469
EOS-3-40132,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cnn1,ZZGNJFGVALAPCA-UHFFFAOYSA-N,3,1,0.435,53,587,420.824,2.004,5,0.42,0.57,1.0,0.3368600507161949,0.39617743814680284,0.08982420670276198,0.11142142416558153,0.23357077993283532
EOS-3-40133,O=C(NCCO)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(Cl)n5)cnn4)n23)nc1,VAVIGASFFRTUCS-UHFFFAOYSA-N,3,1,0.273,33,432,474.872,1.476,5,0.369,0.63,0.425,0.14880748406551983,0.10415667192104722,0.11522513878418203,0.11622746898773216,0.12110419093962033
EOS-3-40134,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)nc2)nc1,LTRJNCHIIROCTF-UHFFFAOYSA-N,3,1,0.447,18,263,466.839,3.591,5,0.35,0.64,1.0,0.8734151189089164,0.8943441162360359,0.6084230004797478,0.6341751764786512,0.7525893530258378
EOS-3-40135,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cc1Cl,IHMRZOSXYATDKL-UHFFFAOYSA-N,3,1,0.733,57,222,445.885,5.267,5,0.356,0.79,1.0,0.9416763758481256,0.9458484682338428,0.9198564183400727,0.9332979233774245,0.9351697964498663
EOS-3-40136,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ncn2)c(F)n1,GUGHWYXZNZYPPX-UHFFFAOYSA-N,3,1,0.432,46,238,459.832,3.281,5,0.363,0.6,0.898,0.6234493866081832,0.6947690357069426,0.6348605304639846,0.6459461311767528,0.6497562709889658
EOS-3-40138,COc1ncc(-c2nnc3cncc(-c4ccc(-c5cscn5)cn4)n23)c(OC)n1,SQUUOFJGHVXTAJ-UHFFFAOYSA-N,3,1,0.306,82,155,418.442,2.784,5,0.425,0.66,1.0,0.2399081625659653,0.07507196216846002,0.07361558494962649,0.03240867658145432,0.10525109656637653
EOS-3-40139,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)c(F)c1,PGYCAUXCEMJNBL-UHFFFAOYSA-N,3,1,0.494,36,52,453.388,3.033,5,0.386,0.54,1.0,0.6123809197450483,0.7186450551709959,0.5895671989582619,0.5181276129120691,0.6096801966965939
EOS-3-40140,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4)n23)cc1,NXQBWQSJAQOLEE-UHFFFAOYSA-N,3,1,0.362,93,538,443.514,5.229,6,0.373,0.77,1.0,0.12391200054828319,0.06416626687684189,0.6665667192104722,0.6570317318895209,0.3779191796312795
EOS-3-40141,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnc2Cl)nc1,QUXWDCFVYWBIRT-UHFFFAOYSA-N,3,1,0.506,65,263,466.839,3.591,5,0.35,0.65,1.0,0.9005465698033034,0.9458570351586595,0.6289836200397505,0.6687598519635392,0.786036769241313
EOS-3-40142,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ns5)n34)cc2Cl)nn1C,BYAKOJLSBPRORI-UHFFFAOYSA-N,3,1,0.494,36,610,474.337,3.633,5,0.38,0.69,1.0,0.3920053457610856,0.5892587896648619,0.0572441916249743,0.11385443081351518,0.2880906894661093
EOS-3-40143,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4C)n23)c1,AZDPHYWAJTXRCM-UHFFFAOYSA-N,3,1,0.488,4,205,414.494,4.506,5,0.421,0.82,1.0,0.3669128229730656,0.3338359262559112,0.369894112809266,0.29640703173188954,0.3417624734425331
EOS-3-40144,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ncn2)s1,RLVQUMYHPMUIRS-UHFFFAOYSA-N,3,1,0.396,31,481,434.46,3.169,5,0.376,0.6,0.664,0.5070077445000343,0.43333219107669113,0.1152337057089987,0.11842060174079912,0.29349856075663083
EOS-3-40145,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5F)nn4)n23)cn1,QPDIOIPERVYSAG-UHFFFAOYSA-N,3,1,0.398,54,411,466.839,3.857,5,0.36,0.65,1.0,0.609348228359948,0.6509834829689535,0.6856795284764581,0.7004317730107601,0.6616107532040298
EOS-3-40146,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)c1,MFTXPKYMIUHBRD-UHFFFAOYSA-N,3,1,0.452,46,238,418.367,2.896,5,0.402,0.61,0.987,0.47963641971078064,0.4907648550476321,0.5992563909259132,0.5925484887944623,0.5405515386196971
EOS-3-40147,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)nc2OC)c1,FTPHSEXBMJMILZ-UHFFFAOYSA-N,3,1,0.433,49,456,442.483,3.095,5,0.361,0.61,0.999,0.33205400589404427,0.08540367349736139,0.1442927146871359,0.07031731889520938,0.15801692824343774
EOS-3-40148,Cc1cnc(-c2cc(Cl)ccc2-c2nnc3cncc(OCc4cncc(Cl)c4)n23)nc1,PCOOUDNSHLFASH-UHFFFAOYSA-N,3,1,0.537,16,82,464.316,4.838,5,0.368,0.72,1.0,0.8690031526283325,0.9059608662874374,0.6912565965321088,0.7512593379480502,0.8043699883489822
EOS-3-40149,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)n1,WCJJIKIHUQVDCP-UHFFFAOYSA-N,3,1,0.462,56,614,466.469,1.751,6,0.356,0.58,1.0,0.30659310533890755,0.1894061407717086,0.053586114728257146,0.0415410184360222,0.14778159481872388
EOS-3-40150,FC(F)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccccc4)n23)cc1,WCTUVSCUUWXICE-UHFFFAOYSA-N,3,1,0.53,1,347,430.418,4.765,5,0.386,0.7,1.0,0.837425467754095,0.7591837434034678,0.8418374340346789,0.8186125008566925,0.8142647865122336
EOS-3-40151,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4nncs4)n23)cn1,PNMAHFQCCIIHTC-UHFFFAOYSA-N,3,1,0.417,92,986,460.483,1.776,5,0.368,0.58,1.0,0.3014101158248235,0.22812007401823042,0.007650263861284354,0.0017390857377835652,0.13472988486053047
EOS-3-40152,COc1nc(-c2ccnn2C)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,PQXHVYFNPYQXSI-UHFFFAOYSA-N,3,1,0.458,31,602,463.889,2.66,5,0.359,0.59,1.0,0.42999109039819067,0.45971831951202796,0.09917928860256323,0.07804468507984375,0.2667333458981564
EOS-3-40153,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)n1,OXGBEMBZOGAQET-UHFFFAOYSA-N,3,1,0.388,46,500,450.384,3.343,5,0.376,0.58,1.0,0.6234579535329998,0.608028921938181,0.6084315674045645,0.592557055719279,0.608118874648756
EOS-3-40154,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)nn2)n1,VIMZWWCMODANNR-UHFFFAOYSA-N,3,1,0.441,53,44,444.434,2.206,5,0.384,0.53,0.627,0.5836645877595779,0.5505619902679734,0.0779504489068604,0.07425810431087657,0.321608782811322
EOS-3-40155,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)ncc1Cl,XKWAIDIOHRRZHB-UHFFFAOYSA-N,3,1,0.451,75,606,462.876,4.027,5,0.385,0.61,1.0,0.7759406483448701,0.7232197930230965,0.4819580563360976,0.4453944212185594,0.6066282297306559
EOS-3-40156,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)ccn2)cc1=O,OSDKZHYZXUBKST-UHFFFAOYSA-N,3,1,0.436,24,486,464.848,2.714,5,0.365,0.62,1.0,0.6151052018367487,0.5002056061956001,0.5472637242135563,0.5379172092385717,0.5501229353711191
EOS-3-40157,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccccn5)c4)n23)cn1,RMOOBQVOHUCGNZ-UHFFFAOYSA-N,3,1,0.413,14,358,412.884,4.801,5,0.424,0.85,1.0,0.3170704543896923,0.39145706257281887,0.7525443766705503,0.7811065040093208,0.5605445994105955
EOS-3-40158,Cc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)c2)cn1,XAXBZGRIIJVAEQ-UHFFFAOYSA-N,3,1,0.697,57,13,447.42,5.158,5,0.373,0.75,1.0,0.9527876773353438,0.9393547392228085,0.9722688643684463,0.9633421287094784,0.9569383524090193
EOS-3-40160,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2)ns1,DWXCQUIWSOIYSE-UHFFFAOYSA-N,3,1,0.603,4,22,435.9,4.246,5,0.407,0.61,1.0,0.5277654033308203,0.6313223905147008,0.339772805153862,0.382401823041601,0.4703156055102461
EOS-3-40161,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)o1,AODOIKREJDXSNE-UHFFFAOYSA-N,3,1,0.516,2,419,451.849,3.959,5,0.382,0.61,1.0,0.8014786512233568,0.6801281611952573,0.6500839558632033,0.6197570420121993,0.6878619525735042
EOS-3-40162,CCOc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cc(F)ccn3)n12,OBNYXMISEOSPHD-UHFFFAOYSA-N,3,1,0.495,58,710,458.457,3.198,5,0.346,0.62,0.7,0.6803080666164074,0.5689037763004592,0.220007196216846,0.1798454526763073,0.412266122952505
EOS-3-40163,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)c(F)c1,CWJCGZIWFIFLGW-UHFFFAOYSA-N,3,1,0.281,30,515,462.492,4.938,6,0.361,0.75,0.88,0.25849838941813447,0.2533839353025838,0.6259680625042835,0.6516174354053869,0.4473669556575971
EOS-3-40164,COc1cc(-c2nnc3cncc(CCc4nnc(C)s4)n23)ccc1-c1ccc(F)nn1,SRCGYEURJDUNDO-UHFFFAOYSA-N,3,1,0.414,72,224,448.487,3.341,5,0.39,0.58,1.0,0.4483842779795765,0.4243454869440066,0.08493249263244466,0.09244568569666232,0.26252698581317246
EOS-3-40165,Cc1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)n1,UBSVMZXZJVNDSZ-UHFFFAOYSA-N,3,1,0.529,7,212,465.304,4.233,5,0.38,0.64,1.0,0.6435388253032691,0.8644626824754986,0.5269258446987869,0.6013895552052635,0.6590792269207044
EOS-3-40166,OCc1cc(-c2nnc3cncc(OCc4ncn(-c5ccc(Cl)cn5)n4)n23)ccc1Cl,XJNREWISXCXIJB-UHFFFAOYSA-N,3,1,0.452,73,975,469.292,3.145,5,0.403,0.65,0.996,0.4254763210198067,0.5317661572202043,0.5061424850935509,0.6044393804399972,0.5169560859433897
EOS-3-40167,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)cc1,ATEWVTLQEGIZCI-UHFFFAOYSA-N,3,1,0.343,32,93,433.5,5.039,6,0.387,0.73,1.0,0.07510622986772668,0.16424508258515524,0.5269344116236035,0.5610136385443081,0.3318248406551984
EOS-3-40168,Cn1nccc1-c1ncc(-c2nnc3cncc(-c4ncnc(-c5cnc(F)c(F)c5)n4)n23)nn1,NCTAGTRLPNSIAG-UHFFFAOYSA-N,3,1,0.261,99,852,471.395,1.569,6,0.345,0.6,0.063,0.1819529161812076,0.21275957782194505,0.06313823589884175,0.09054382838736207,0.13709863957233911
EOS-3-40169,CCc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4C)n23)ccc1F,MCWONRRCZUPGHI-UHFFFAOYSA-N,3,1,0.462,73,930,460.448,3.766,5,0.377,0.64,0.776,0.612389486669865,0.6899544239599753,0.285021588650538,0.24865499280378314,0.4590051230210404
EOS-3-40171,FCc1cncc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ncc4F)n23)c1,FCMZWYFZUHKGMF-UHFFFAOYSA-N,3,1,0.455,55,199,449.396,3.97,5,0.387,0.59,1.0,0.8374340346789116,0.7463933246521829,0.8137550544856418,0.7878658076896717,0.796362055376602
EOS-3-40172,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)s1,NHDUMRDWKJSYHY-UHFFFAOYSA-N,3,1,0.57,37,619,467.917,4.427,5,0.365,0.7,1.0,0.8443475430059626,0.8810910835446508,0.4783428140634638,0.5415238845863889,0.6863263313001164
EOS-3-40173,Cc1cncc(CCOc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)n1,RKAFYGOLVZWJEX-UHFFFAOYSA-N,3,1,0.488,20,846,412.457,2.912,5,0.423,0.74,1.0,0.4413422657802755,0.2127681447467617,0.20600027414159414,0.15555822082105408,0.25391722637242137
EOS-3-40174,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)c1F,DIAXXCHNIBEKSG-UHFFFAOYSA-N,3,1,0.407,46,564,418.367,2.896,5,0.429,0.59,1.0,0.827702008087177,0.6408145432115687,0.5864402714001782,0.5511959427044069,0.6515381913508327
EOS-3-40175,Cn1nc(-c2ccnc(Cl)c2)nc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,ZPELEZWMVSLSCB-UHFFFAOYSA-N,3,1,0.457,27,69,469.843,3.547,5,0.347,0.71,0.624,0.48700397505311493,0.680136728120074,0.42126996093482283,0.4264786512233569,0.5037223288328422
EOS-3-40176,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)c1,IRLGTLALXSUKQY-UHFFFAOYSA-N,3,1,0.474,87,349,464.892,3.704,5,0.378,0.62,1.0,0.4820608594338976,0.4774518538825303,0.5436399150161059,0.5079329723802344,0.502771400178192
EOS-3-40177,Clc1cnc(-c2cncc3nnc(-c4ccc(OCC5COc6ncccc65)nc4)n23)nc1,RAQHQPXKLPBSNZ-UHFFFAOYSA-N,3,1,0.343,65,261,458.869,3.247,6,0.391,0.61,1.0,0.4772719484613803,0.5457302446713728,0.36612466588993214,0.36322047837708177,0.4380868343499418
EOS-3-40178,CCOCc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)NC)c(F)c5)n34)c2)cn1,NQYUXRVXMKSYNB-UHFFFAOYSA-N,3,1,0.306,82,648,483.507,3.951,5,0.373,0.8,1.0,0.3268795833047769,0.3097971352203413,0.6024432869577137,0.47360530463984646,0.42818132753066956
EOS-3-40179,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)nn1,USLBGOXFVHKFOI-UHFFFAOYSA-N,3,1,0.451,46,88,414.404,3.065,5,0.404,0.69,1.0,0.5507761633883901,0.4198649852648893,0.4434497292851758,0.37591666095538345,0.44750188472345964
EOS-3-40180,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccnc(Cl)n6)[nH]5)n34)cc2)c1,HJTASKBDQDQTRE-UHFFFAOYSA-N,3,1,0.366,3,774,469.871,4.493,6,0.378,0.73,0.706,0.26387841820300184,0.4597268864368446,0.6113357549174149,0.7357617709546981,0.5176757076279899
EOS-3-40181,C#Cc1ccncc1CCOc1cncc2nnc(-c3cccc(-c4ncc(C)nn4)c3)n12,FPDCGDOSSXFVPS-UHFFFAOYSA-N,3,1,0.53,15,921,434.463,2.95,5,0.376,0.57,1.0,0.5668134466451923,0.4333407580015078,0.31802994996915906,0.2608628606675348,0.39476175382084844
EOS-3-40183,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncc(-c5cccs5)cn4)n23)c1,UUULWBRYIBXLBW-UHFFFAOYSA-N,3,1,0.273,64,449,448.515,4.742,6,0.384,0.7,0.996,0.1296775409499006,0.07508052909327667,0.22334829689534644,0.2815091494757042,0.17740387910355698
EOS-3-40185,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(C)(C)N)cc5)n34)cn2)n1,LOQQHOAEMZYFNT-UHFFFAOYSA-N,3,1,0.364,50,974,413.449,1.633,5,0.466,0.68,1.0,0.2097611541361113,0.05242101295319032,0.14146562949763553,0.07236481392639298,0.11900315262833254
EOS-3-40186,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)nn1C,HFHAVXSDLIRPIX-UHFFFAOYSA-N,3,1,0.367,31,569,435.879,3.036,5,0.378,0.6,1.0,0.2451596874785827,0.22307415530121308,0.1989325611678432,0.19888115961894318,0.21651189089164552
EOS-3-40187,COCc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)cn1,BNWZZKHKYNQAGT-UHFFFAOYSA-N,3,1,0.41,65,466,459.445,2.34,5,0.341,0.6,1.0,0.4413508327050922,0.32016311424850935,0.25917517647865124,0.22509594955794668,0.3114462682475499
EOS-3-40188,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncccc5F)ccn4)n23)cc1,TZOXWLJHWZYAPS-UHFFFAOYSA-N,3,1,0.553,1,744,412.428,4.275,5,0.429,0.8,1.0,0.8093687889795079,0.7932372695497224,0.719827290795696,0.6776266191487903,0.7500149921184291
EOS-3-40189,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(F)cc5)c4)n23)cn1,LVDSKONOVCJVQZ-UHFFFAOYSA-N,3,1,0.556,97,91,412.428,4.275,5,0.429,0.8,1.0,0.8223733808512097,0.8093088205057912,0.809805702145158,0.7715543828387362,0.8032605715852238
EOS-3-40190,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(C#N)cn5)s4)n23)c(F)c1,NNFGMBIYCVTQHE-UHFFFAOYSA-N,3,1,0.318,98,314,480.492,3.783,6,0.373,0.72,1.0,0.23719244739908163,0.41987355218970596,0.385134672058118,0.42648721814817353,0.36717197244876976
EOS-3-40191,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4ncc(F)cn4)ncn3)n12,LBPRHAXIVVCDSL-UHFFFAOYSA-N,3,1,0.418,31,842,432.423,1.841,5,0.395,0.55,0.982,0.38081694195051746,0.22308272222602973,0.049799533959289974,0.04267185251182236,0.17409276266191487
EOS-3-40192,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cn2)cn1,JCBVWIUUYFYJQI-UHFFFAOYSA-N,3,1,0.299,32,557,463.892,4.421,6,0.353,0.65,1.0,0.23439106298403126,0.3629377698581317,0.44345829620999244,0.5012422040984168,0.3855073332876431
EOS-3-40193,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(CC#N)n4)n23)ccc1-c1cccnc1,DIUQXKHFCOEHPT-UHFFFAOYSA-N,3,1,0.522,1,83,467.464,4.041,5,0.353,0.68,1.0,0.7957216777465561,0.7679734082653691,0.7378178329106984,0.6312195874169009,0.7331831265848812
EOS-3-40194,Fc1cc(-c2nncs2)cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,FKGZKQQNOWDOEE-UHFFFAOYSA-N,3,1,0.628,34,146,456.865,4.82,5,0.377,0.72,1.0,0.9596240833390446,0.9796706874100473,0.9044959221437873,0.9215355356041396,0.9413315571242548
EOS-3-40195,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)c(F)c1,PMKHNUWHOPRYBU-UHFFFAOYSA-N,3,1,0.462,27,911,470.39,3.719,5,0.361,0.65,1.0,0.7497258584058666,0.7591923103282846,0.8798660132958673,0.7357703378795147,0.7811386299773833
EOS-3-40197,Cc1cnc(COc2cncc3nnc(-c4cccc(-c5cnc(C)cn5)c4)n23)cn1,INEGZHVXLRCSIQ-UHFFFAOYSA-N,3,1,0.477,7,535,410.441,3.234,5,0.435,0.78,1.0,0.39201391268590224,0.2894678226303886,0.2591837434034679,0.17157837022822287,0.2780609622369954
EOS-3-40198,Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccc(C)nc5)c4)n23)nc1,SNLKRKQTOAPYOX-UHFFFAOYSA-N,3,1,0.506,75,441,410.441,3.234,5,0.435,0.78,1.0,0.3985333424713865,0.30469981495442394,0.23781783291069838,0.16101535192927147,0.27551658556644504
EOS-3-40199,Cc1cc(-c2cncc(-c3nnc4cncc(Oc5cc(F)ccc5F)n34)c2)ncn1,XMMCVUVSMQKROY-UHFFFAOYSA-N,3,1,0.435,13,995,417.379,4.022,5,0.436,0.66,1.0,0.7164519224179289,0.6459118634774861,0.8098142690699747,0.7738674525392365,0.7365113768761565
EOS-3-40200,Cc1cc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5nncn5C)c4)n23)ccc1Cl,PHXGHSNOZAFFAN-UHFFFAOYSA-N,3,1,0.517,36,97,467.32,4.176,5,0.358,0.69,1.0,0.5925399218696457,0.6849770406414913,0.5505020217942568,0.6167072167774655,0.6111815502707149
EOS-3-40201,Cn1c(F)cnc1-c1cccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)c1,MGDZUMDQCLIMQL-UHFFFAOYSA-N,3,1,0.595,88,742,450.424,4.231,5,0.387,0.6,1.0,0.789947570420122,0.7889709409910218,0.8678894524021658,0.8498046741141799,0.8241531594818724
EOS-3-40202,Fc1cc(COc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)cnc1Cl,JFXQXRRJNFRHFW-UHFFFAOYSA-N,3,1,0.455,2,970,434.822,3.41,5,0.387,0.57,1.0,0.7844047700637379,0.7277516962511137,0.6966023576177095,0.6890720307038586,0.7244577136591049
EOS-3-40203,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nncc(C)n5)ns4)n23)cn1,WBTXHSHGYOAKHQ-UHFFFAOYSA-N,3,1,0.536,92,185,417.458,2.691,5,0.425,0.64,1.0,0.4137653347954218,0.40131759303680353,0.03876533479542184,0.03042115002398739,0.22106735316290865
EOS-3-40204,COc1ncncc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,YVTZJBSOSLKNFW-UHFFFAOYSA-N,3,1,0.33,63,437,405.393,2.288,5,0.543,0.86,1.0,0.3644626824754986,0.28947638955520527,0.15346789116578713,0.17682989514084024,0.24605921458433283
EOS-3-40205,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nn(C)cc5C)c4)n23)nn1,XSHNQLFMBDURMT-UHFFFAOYSA-N,3,1,0.449,53,587,413.445,2.573,5,0.432,0.71,1.0,0.2290281680487972,0.08867623877732848,0.11223528202316496,0.06861250085669249,0.12463804742649578
EOS-3-40206,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cnn(C(F)F)c4)n23)ccc1F,WWHVZGDVPOTNFS-UHFFFAOYSA-N,3,1,0.473,26,911,454.416,3.984,5,0.37,0.63,1.0,0.5583835926255911,0.6313309574395175,0.8075954355424577,0.697647522445343,0.6737393770132273
EOS-3-40207,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(Cl)cn5)s4)n23)nc1,OULZUARPWTUXGW-UHFFFAOYSA-N,3,1,0.414,46,775,457.306,3.986,5,0.39,0.58,1.0,0.6234665204578165,0.6176667123569324,0.1886522513878418,0.3373654992803783,0.44178774587074227
EOS-3-40208,Cc1cnc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)nc4)n23)cn1,IOUUTNJNQDLOQC-UHFFFAOYSA-N,3,1,0.464,4,700,411.425,3.656,5,0.417,0.82,1.0,0.3943355493112192,0.28429340004112125,0.33618326365567813,0.24866355972859983,0.3158689431841546
EOS-3-40209,Cc1nc(-c2cc(-c3nnc4cncc(OCc5nnccc5Cl)n34)c(Cl)cn2)cs1,OYQMISCXMDGMPI-UHFFFAOYSA-N,3,1,0.44,4,486,471.333,4.294,5,0.374,0.77,0.998,0.4995716537591666,0.6220187101637996,0.3142176684257419,0.4233088890411898,0.4647792303474745
EOS-3-40210,Cc1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc(-c2cnc(F)cn2)n1,PRZLCLQEXSZYEJ-UHFFFAOYSA-N,3,1,0.435,7,85,449.837,3.113,5,0.373,0.57,0.999,0.6263964087451168,0.8093173874306079,0.27779110410527036,0.3060533890754575,0.5048895723391131
EOS-3-40211,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)nc(Cl)n2)cc1,JMVDOKCOQXWNJI-UHFFFAOYSA-N,3,1,0.5,44,161,465.851,4.196,5,0.347,0.69,1.0,0.8536169556575971,0.8322596120896443,0.7590723733808512,0.8057706805565075,0.81267990542115
EOS-3-40212,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5ccc(Cl)nn5)n4)n23)cc1,JIYJSFLZCRYRGJ-UHFFFAOYSA-N,3,1,0.322,10,507,472.835,2.474,6,0.376,0.58,0.635,0.04984236858337331,0.2738760194640532,0.10442224659036392,0.2578044685079844,0.1714862757864437
EOS-3-40213,Fc1cc(-c2nnc3cncc(OCc4nc(-c5ccsc5)ns4)n23)ccc1Cl,YNVLOCDRVLBAOC-UHFFFAOYSA-N,3,1,0.549,73,401,444.904,4.743,5,0.389,0.74,1.0,0.7042697553286272,0.8554845452676307,0.45759372215749433,0.5955554794051128,0.6532258755397162
EOS-3-40214,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nc4)n23)nc1,PAEKQBRRJCMIFH-UHFFFAOYSA-N,3,1,0.368,63,505,405.849,2.718,5,0.512,0.84,0.992,0.0979884860530464,0.144909533273936,0.11813789322184909,0.22510451648276333,0.1465351072578987
EOS-3-40215,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)ccn2)cn1,GDTUVTKTSCRJOB-UHFFFAOYSA-N,3,1,0.46,65,454,412.417,1.758,5,0.406,0.72,1.0,0.6039596326502639,0.3629463367829484,0.07362415187444316,0.05749263244465767,0.27450568843807827
EOS-3-40216,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)nc2)nc1,ZGXOQMOCYTZRJF-UHFFFAOYSA-N,3,1,0.348,32,479,417.432,4.57,6,0.415,0.72,1.0,0.13247035844013433,0.13043999725858405,0.5832191076691111,0.5769395517784935,0.35576725378658075
EOS-3-40217,Cc1cnc(-c2ccc(F)c(-c3nnc4cncc(COCc5ccnc(C)c5F)n34)c2)cn1,FVJKPBYOSQPFNF-UHFFFAOYSA-N,3,1,0.426,85,606,459.46,4.255,5,0.375,0.63,1.0,0.4919899252964156,0.4907734219724488,0.7430436570488658,0.663062846960455,0.5972174628195464
EOS-3-40218,Fc1ncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1-c1ccoc1,RFKPATJGOMWXPP-UHFFFAOYSA-N,3,1,0.467,27,69,439.357,3.892,5,0.393,0.64,0.999,0.7196730861489959,0.7232283599479131,0.7403879103556987,0.6600558563498047,0.7108363032006032
EOS-3-40219,CCn1ccc(-c2ncncc2COc2cncc3nnc(-c4ccc(C)nc4)n23)n1,TUXRAANJXCNLNA-UHFFFAOYSA-N,3,1,0.489,92,986,413.445,2.747,5,0.418,0.72,1.0,0.3041086971420739,0.22309128915084642,0.0964721403604962,0.060499623055308066,0.17104293742718116
EOS-3-40220,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cn2)ncn1,MNOXCOLGQHRAPZ-UHFFFAOYSA-N,3,1,0.466,7,464,416.47,3.296,5,0.43,0.71,1.0,0.3320625728188609,0.35337708176273047,0.0991878555273799,0.06189603180042492,0.21163088547734904
EOS-3-40221,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)nc1F,KIMCJRUDFZICOB-UHFFFAOYSA-N,3,1,0.394,46,564,454.828,3.492,5,0.375,0.58,1.0,0.7196816530738126,0.6264478102940169,0.6556524569940374,0.6630714138852717,0.6662133335617847
EOS-3-40222,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)nc1F,NIHXSBIPVUHEOC-UHFFFAOYSA-N,3,1,0.409,46,223,454.828,3.492,5,0.375,0.58,1.0,0.7164604893427455,0.6264563772188335,0.6348690973888013,0.6312281543417175,0.6522535295730245
EOS-3-40223,Cc1nccc(COc2cncc3nnc(-c4cnc(-c5ccnc(CF)c5)cn4)n23)c1F,WQOXSMMFBNWHKW-UHFFFAOYSA-N,3,1,0.385,7,720,446.421,3.534,5,0.39,0.57,1.0,0.6067353162908642,0.5136471112329518,0.5269429785484202,0.44540298814337603,0.5231820985539031
EOS-3-40224,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1ncc(C)cn1,LQTNCEGRACOLHE-UHFFFAOYSA-N,3,1,0.402,31,690,456.485,3.936,5,0.379,0.62,0.999,0.5557278459324241,0.4861130148721815,0.17581899801247344,0.12531697621821672,0.3357442087588239
EOS-3-40225,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nn5)ncn4)n23)cn1,UGFCADFYUAEWON-UHFFFAOYSA-N,3,1,0.381,7,828,416.38,1.855,5,0.418,0.61,0.996,0.477280515386197,0.43334932492632444,0.12113631690768281,0.10462785278596395,0.28409850250154206
EOS-3-40226,FC(F)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccccc4)n23)cn1,YKEZSDKOFILYII-UHFFFAOYSA-N,3,1,0.5,27,700,431.406,4.16,5,0.399,0.62,1.0,0.6740028099513399,0.6459204304023027,0.6750222740045233,0.6197656089370159,0.6536777808237955
EOS-3-40227,Fc1cncc(COc2cncc3nnc(-c4cnc(-c5cscn5)c(Cl)c4)n23)c1F,ILQHGOUWRHLENN-UHFFFAOYSA-N,3,1,0.438,55,564,457.853,4.215,5,0.39,0.65,1.0,0.7347680076759646,0.7633644027140017,0.7615910492769515,0.7949078198889726,0.7636578198889726
EOS-3-40228,Cn1cc(-c2ccc(F)c(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)[nH]5)n34)n2)cn1,AKWBTRTWYJEZDN-UHFFFAOYSA-N,3,1,0.261,50,407,473.863,3.226,6,0.386,0.66,0.888,0.1187204441093825,0.314860187786992,0.3032434377355904,0.394960934822836,0.2829462511137002
EOS-3-40229,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(C(F)F)n5)n34)ccc2Cl)n1,PVCQFNMULZQEJJ-UHFFFAOYSA-N,3,1,0.473,27,911,468.855,4.152,5,0.369,0.67,1.0,0.5533805085326571,0.784893084778288,0.6829381125351244,0.6253084092934,0.6616300287848674
EOS-3-40230,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5cccnc5F)c4)n23)n(C)n1,DYVMHFKWJXFHDW-UHFFFAOYSA-N,3,1,0.489,4,43,416.42,3.008,5,0.406,0.7,1.0,0.36232951819614834,0.377552943595367,0.33277362757864437,0.2668939757384689,0.3348875162771572
EOS-3-40231,Cc1cncc(-c2cc(-c3nnc4cncc(COc5cc(F)cc(Cl)c5)n34)ccn2)c1,DHPSBPGCIWTEQA-UHFFFAOYSA-N,3,1,0.39,14,189,446.873,4.928,5,0.381,0.68,1.0,0.5224710437941197,0.5843499417449113,0.8606761017065314,0.8616869988348982,0.7072960215201152
EOS-3-40232,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)s1,QPHIHZPMKPTASL-UHFFFAOYSA-N,3,1,0.506,59,483,455.425,4.01,5,0.37,0.65,1.0,0.7844133369885546,0.6947776026317593,0.6992324035364266,0.6864248509355082,0.7162120485230623
EOS-3-40233,c1cc(-c2nnco2)cc(-c2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)c1,DTBCCPSFOGOIHA-UHFFFAOYSA-N,3,1,0.286,42,339,424.449,4.027,6,0.417,0.6,1.0,0.1595761085600713,0.18941470769652524,0.3474230690151463,0.35635837159893086,0.2631930642176684
EOS-3-40234,Cc1coc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2C)n1,PQDDDDUPJNHOTD-UHFFFAOYSA-N,3,1,0.421,31,569,436.863,3.158,5,0.399,0.6,0.996,0.35786615036666436,0.20785929682681104,0.1236721266534165,0.13826159961620177,0.20691479336577343
EOS-3-40235,CC#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)cn1,KZCUOPJBZPLMHW-UHFFFAOYSA-N,3,1,0.539,26,448,439.454,3.676,5,0.389,0.59,1.0,0.6711842916866562,0.5689123432252758,0.7590809403056679,0.6312367212665342,0.6576035741210335
EOS-3-40237,COc1cc(C(F)F)c(F)cc1-c1nnc2cncc(-c3cccc(-c4nncn4C)n3)n12,GHYWIMATVDRKJZ-UHFFFAOYSA-N,3,1,0.33,22,259,452.4,3.734,5,0.401,0.57,0.992,0.2909327667740388,0.41535878281132205,0.7353933931875813,0.6459546981015695,0.5219099102186279
EOS-3-40238,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ccncn1,MQKIYUBVANRBGU-UHFFFAOYSA-N,3,1,0.488,16,591,417.454,3.292,5,0.415,0.68,1.0,0.540281680487972,0.320171681173326,0.3435165512987458,0.23410835446508121,0.3595195668562813
EOS-3-40239,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cncs5)c(F)cn4)n23)nc1,SJMTZMHSJRBVNX-UHFFFAOYSA-N,3,1,0.455,46,128,423.408,3.562,5,0.427,0.63,1.0,0.52506682201357,0.5600541429648414,0.6084401343293812,0.6077119457199643,0.5753182612569392
EOS-3-40240,Cc1cncc(CCOc2cncc3nnc(-c4cc(-c5cnc(C)o5)cc(F)n4)n23)n1,OCSBAGQKMYEIGS-UHFFFAOYSA-N,3,1,0.398,31,658,432.419,3.009,5,0.373,0.6,1.0,0.5302326776780207,0.38228188609416763,0.1758275649372901,0.13164793365773422,0.30499751559180316
EOS-3-40241,c1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnc(C7CC7)o6)cnn5)n34)cc2)nc1,LTZJBKBCSAHVNC-UHFFFAOYSA-N,3,1,0.268,98,63,460.461,3.633,7,0.375,0.62,1.0,0.14018059077513537,0.11087314097731478,0.03339387293537112,0.08494962648207799,0.09234930779247481
EOS-3-40242,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4nccs4)cc(Cl)n3)n12,SQTFPNGFCBOWQY-UHFFFAOYSA-N,3,1,0.436,18,181,453.89,4.119,5,0.357,0.68,1.0,0.640651771640052,0.6127921321362484,0.4921955314920156,0.5578867109862243,0.575881536563635
EOS-3-40243,Cc1cccc(OCc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)c(Cl)c4)n23)n1,CMAGCBYRJAAXAF-UHFFFAOYSA-N,3,1,0.386,14,189,446.873,4.928,5,0.381,0.72,1.0,0.7133935302583785,0.7889795079158385,0.8098228359947913,0.8014358165992735,0.7784079226920705
EOS-3-40244,Fc1ccc(-c2nsc(-c3cncc4nnc(-c5nccnc5-c5cccnn5)n34)n2)nc1,SEDMOMMNWOIFQI-UHFFFAOYSA-N,3,1,0.265,39,953,455.442,2.758,6,0.39,0.59,0.874,0.1457319580563361,0.21765985881707903,0.03469604550750462,0.08155712425467754,0.11991124665889932
EOS-3-40245,FCc1cc(-c2cc(-c3nnc4cncc(Oc5cccnc5Cl)n34)ncn2)ccn1,UEUXTAWTATWFLI-UHFFFAOYSA-N,3,1,0.343,44,971,434.822,3.954,5,0.383,0.61,0.775,0.6555153861969707,0.612800699061065,0.537086217531355,0.5379257761633884,0.5858320197381948
EOS-3-40247,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)c(F)n2)n1,XEGDRFWKZLPTPU-UHFFFAOYSA-N,3,1,0.426,55,223,467.827,3.252,5,0.359,0.63,0.998,0.7675707627989857,0.8249091905969433,0.4819666232609143,0.5181361798368858,0.6481456891234323
EOS-3-40248,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnnc4)n23)nc1C,KNXBSXIQTAXXHR-UHFFFAOYSA-N,3,1,0.404,31,105,428.46,2.185,5,0.384,0.58,1.0,0.2611884038105682,0.08868480570214515,0.020389281063669384,0.015129189226235351,0.09634791995065452
EOS-3-40249,Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5cccc(F)c5)cc4F)n23)c(F)c1,JDOIANWIFDEQDL-UHFFFAOYSA-N,3,1,0.427,57,417,433.393,5.371,5,0.381,0.81,1.0,0.8555188129668974,0.9121804537043383,0.9517168117332603,0.9495665136042766,0.9172456480021931
EOS-3-40250,Cc1nn(C)cc1-c1cccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,PZCNKXWNOOZMHJ-UHFFFAOYSA-N,3,1,0.5,13,145,434.862,5.085,5,0.394,0.73,1.0,0.4159841683229388,0.527388458638887,0.8500188472345966,0.8386248372284285,0.6580040778562127
EOS-3-40251,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccccc3)n12,ADPUVYZTZBEIFS-UHFFFAOYSA-N,3,1,0.304,39,854,466.896,3.759,6,0.361,0.63,0.936,0.09087793845521212,0.15261119868412035,0.06711328901377561,0.18262970324172434,0.1233080323487081
EOS-3-40252,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccc(C)n5)n4)n23)cc1F,YVSMQQQQAKVPRL-UHFFFAOYSA-N,3,1,0.474,1,268,487.47,3.774,5,0.389,0.85,1.0,0.5865859091220615,0.4153673497361387,0.5672160921115756,0.4422417928860256,0.5028527859639504
EOS-3-40253,COCc1ccnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)c1,QZMWRBYFNAYCQA-UHFFFAOYSA-N,3,1,0.455,15,563,474.912,3.46,5,0.333,0.68,1.0,0.5610222054691248,0.5091066410801178,0.4469279007607429,0.4485813172503598,0.4914095161400864
EOS-3-40254,COc1nc(-c2ncn(C)n2)ccc1-c1nnc2cncc(OCc3c(F)cncc3F)n12,GYXXATGOEFLOAR-UHFFFAOYSA-N,3,1,0.444,55,980,451.397,2.243,5,0.383,0.53,0.901,0.5224796107189363,0.41537591666095536,0.2523130697005003,0.19603694057980947,0.34655138441505035
EOS-3-40255,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncccc5F)n34)c(F)n2)n[nH]1,XIRCFFAMDONQEK-UHFFFAOYSA-N,3,1,0.467,4,338,421.371,2.532,5,0.43,0.58,1.0,0.5352100609965047,0.6128092659858817,0.23782639983551504,0.24867212665341648,0.40862946336782946
EOS-3-40256,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5ncn(C)n5)c(F)c4)n23)c1,JXVNEJUGHPUISR-UHFFFAOYSA-N,3,1,0.56,4,610,416.42,3.008,5,0.435,0.63,1.0,0.45554622712631077,0.5689209101500925,0.3887841820300185,0.3183040915632924,0.4328888527174285
EOS-3-40257,Cn1cc(CCOc2cncc3nnc(-c4cnnc(-c5cccc(F)c5)c4)n23)cn1,BMNUZTVUFPSUPO-UHFFFAOYSA-N,3,1,0.557,37,778,416.42,2.742,5,0.42,0.64,1.0,0.522488177643753,0.55057055719279,0.4033136865190871,0.4137824686450552,0.47253872250017137
EOS-3-40258,Cc1nnc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)s1,YRKAZDOCQIXENQ-UHFFFAOYSA-N,3,1,0.612,13,15,422.42,4.689,5,0.418,0.72,1.0,0.7788105681584538,0.7094527448427113,0.706831265848811,0.7168203001850456,0.7279787197587554
EOS-3-40259,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cccc(-c4nccs4)c3)n12,ZOBQSVDIKXBOTG-UHFFFAOYSA-N,3,1,0.534,35,265,452.902,4.724,5,0.371,0.7,1.0,0.8196919333835926,0.82491775752176,0.7119285861147283,0.7382804468507984,0.7737046809677197
EOS-3-40260,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cc1,YXWIKZLMVKJBOT-UHFFFAOYSA-N,3,1,0.553,11,848,442.91,4.832,5,0.35,0.73,1.0,0.920002056061956,0.8728154341717497,0.647231169899253,0.6570402988143376,0.774272239736824
EOS-3-40261,Cc1nc(F)cc(COc2cncc3nnc(-c4nc(-c5cccnc5)cs4)n23)n1,VMTOAOWFSFKXPX-UHFFFAOYSA-N,3,1,0.44,46,122,420.433,3.126,5,0.4,0.64,1.0,0.38531457747926806,0.3914656294976355,0.12633644027140017,0.12311527654033308,0.25655798094715926
EOS-3-40262,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)cn5)c4)n23)n1,IROYNKPZHAQMMJ-UHFFFAOYSA-N,3,1,0.457,2,422,414.404,3.065,5,0.432,0.68,1.0,0.5925484887944623,0.5457388115961894,0.4101843602220547,0.3563669385237475,0.4762096497841135
EOS-3-40263,Cc1nnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)c2)s1,AKYPLLXKJJOXLU-UHFFFAOYSA-N,3,1,0.495,53,785,468.905,3.822,5,0.37,0.63,1.0,0.5779247481324103,0.6363597423069015,0.32163662531697623,0.42331745596600645,0.48980964293057366
EOS-3-40264,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccccc4)n23)nc1,ZUZNNYAFHRNLCY-UHFFFAOYSA-N,3,1,0.315,30,365,441.498,5.286,6,0.37,0.77,1.0,0.13770474950311837,0.08208827359331095,0.526951545473237,0.580357754780344,0.3317755808375026
EOS-3-40265,Cc1ccc(-c2nnccc2-c2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)nn1,INHYXVFNLJEOFF-UHFFFAOYSA-N,3,1,0.329,50,542,435.373,3.485,5,0.395,0.54,0.993,0.33451271331642796,0.4684737166746625,0.5895757658830786,0.554571311082174,0.4867833767390858
EOS-3-40266,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)s1,ICGCLJNNSDGWPT-UHFFFAOYSA-N,3,1,0.484,87,173,449.927,4.288,5,0.357,0.68,1.0,0.5533890754574737,0.6264649441436502,0.33978137207867865,0.3532314440408471,0.46821670893016243
EOS-3-40267,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ncn2)nc1,CWFNHULFLPGSPR-UHFFFAOYSA-N,3,1,0.565,44,481,465.851,4.196,5,0.371,0.64,0.999,0.8812367212665342,0.8014615173737235,0.8209427044068262,0.8478257144815297,0.8378666643821534
EOS-3-40268,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccnn6)s5)n34)s2)nn1,KGLHYPUBTRYBGS-UHFFFAOYSA-N,3,1,0.256,76,14,456.52,3.594,6,0.392,0.57,0.962,0.020157974093619354,0.029033308203687203,0.03470461243232129,0.043922623535055855,0.03195462956617093
EOS-3-40269,Cn1nccc1-c1ncccc1-c1nnc2cncc(-c3nnn(-c4cncnn4)n3)n12,JOSRRVUBFCKIPB-UHFFFAOYSA-N,3,1,0.261,99,286,424.392,0.414,6,0.386,0.58,1.0,0.0051487218148173535,0.00953498732095127,0.005242957987800699,0.004257761633883901,0.0060461071893633065
EOS-3-40270,Fc1cncc(CCOc2cncc3nnc(-c4c[nH]c(-c5nccs5)c4)n23)c1F,XFLUYCWQGKWXNM-UHFFFAOYSA-N,3,1,0.489,35,265,425.424,3.538,5,0.447,0.61,0.989,0.48447673223219795,0.42435405386882324,0.6024518538825303,0.5894472620108286,0.525182475498595
EOS-3-40271,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5c(F)ccc(F)c5F)cn4)n23)c(Cl)c1,OTTSVOJMUYIZRU-UHFFFAOYSA-N,3,1,0.404,45,575,481.825,4.085,5,0.387,0.7,1.0,0.31707902131450894,0.4597354533616613,0.9011119868412035,0.9118206428620382,0.6474367760948531
EOS-3-40272,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)nn1,OPAHZNYVSYZPSS-UHFFFAOYSA-N,3,1,0.457,16,55,432.394,3.204,5,0.39,0.55,1.0,0.7583356178466177,0.6313395243643342,0.620433829072716,0.5739496950174765,0.6460146665752862
EOS-3-40273,c1cncc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cncs6)n5)n34)cn2)c1,ZRZMZVDQDXNNDL-UHFFFAOYSA-N,3,1,0.411,80,518,465.502,3.741,6,0.362,0.66,1.0,0.46959598382564594,0.49568226989239944,0.21301658556644507,0.19604550750462613,0.3435850866972791
EOS-3-40275,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)n1,DWTNQTNXOVGCLE-UHFFFAOYSA-N,3,1,0.438,58,88,414.404,2.799,5,0.391,0.71,1.0,0.5481375505448565,0.477460420807347,0.3180385168939757,0.3214053183469262,0.4162604516482763
EOS-3-40276,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ncn1,JHUXFAAEDBMERN-UHFFFAOYSA-N,3,1,0.432,31,194,417.408,2.137,5,0.413,0.61,0.762,0.5557364128572407,0.31486875471180864,0.1414741964224522,0.13588856144198477,0.28699198135837156
EOS-3-40277,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)nn5)n34)cc2)n1C,RKXWHGLXGDHEHM-UHFFFAOYSA-N,3,1,0.359,67,622,464.493,3.483,6,0.381,0.6,1.0,0.3853231444040847,0.23812624220409842,0.16293434308820506,0.10259749160441368,0.22224530532520048
EOS-3-40278,Clc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccn4)n23)nn1,GKMUJYZHMFQPCC-UHFFFAOYSA-N,3,1,0.489,24,799,451.277,3.924,5,0.371,0.61,1.0,0.6151137687615653,0.7763604276608869,0.3887927489548352,0.504720375573984,0.5712468302378177
EOS-3-40279,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)ncn2)no1,SZJKWZAUMAREMU-UHFFFAOYSA-N,3,1,0.371,80,843,467.453,2.314,6,0.355,0.63,1.0,0.22327119457199643,0.14491810019875265,0.05553080666164074,0.03241724350627099,0.1140343362346652
EOS-3-40280,COc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1nc(C)nn1C,FAQCKHSVDQIBES-UHFFFAOYSA-N,3,1,0.402,31,658,444.459,1.71,5,0.365,0.56,0.556,0.27189705983140294,0.05242957987800699,0.011505380028784868,0.003623809197450483,0.08486395723391132
EOS-3-40281,COc1cc(F)ccc1-c1nncnc1-c1cncc2nnc(-c3ccc(C(=O)NCC#N)cc3)n12,CVGIRJTYWNRHFX-UHFFFAOYSA-N,3,1,0.348,62,124,481.451,2.711,5,0.362,0.73,0.999,0.4436296347063258,0.48612158179699816,0.44346686313480915,0.3597251730518813,0.4332358131725036
EOS-3-40282,CCn1ncnc1-c1nnc2cncc(OCc3ccc(F)c(-c4cccnn4)n3)n12,FZMMYQLCXJJYDQ-UHFFFAOYSA-N,3,1,0.402,53,105,418.396,1.973,5,0.407,0.63,0.307,0.19042560482489207,0.152619765608937,0.026368994585703517,0.036606469741621545,0.10150520869028853
EOS-3-40283,Cc1ncc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncn5C)n4)n23)cn1,ARLFRUNYRNQKFM-UHFFFAOYSA-N,3,1,0.467,7,85,417.408,2.403,5,0.429,0.6,0.994,0.514443835240902,0.48154684394489755,0.22335686382016312,0.1661726406689055,0.346380045918717
EOS-3-40284,Fc1cnc(-c2ncc(Cl)cn2)c(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,POOCHLWWWHWSDO-UHFFFAOYSA-N,3,1,0.456,73,775,470.255,3.458,5,0.381,0.61,0.994,0.6803166335412241,0.755080186416284,0.36256082516619836,0.49165581522856555,0.572403365088068
EOS-3-40285,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C(F)F)nc4)n23)nc1,UCNWFLKLRFRZCI-UHFFFAOYSA-N,3,1,0.277,99,286,472.423,2.697,6,0.372,0.58,0.998,0.13771331642793502,0.1642536495099719,0.19209615516414227,0.18263827016654102,0.16917534781714755
EOS-3-40286,Cc1c(Cl)cc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1cn(C)cn1,HWNANSXFXRPDQI-UHFFFAOYSA-N,3,1,0.473,20,658,446.902,3.565,5,0.393,0.56,1.0,0.57499485984511,0.6313480912891508,0.40332225344390377,0.3759252278802001,0.4963976081145912
EOS-3-40287,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)s2)cs1,MYQXFPVZHGAWSA-UHFFFAOYSA-N,3,1,0.347,76,368,454.544,4.804,6,0.377,0.7,1.0,0.04380268658762251,0.14492666712356933,0.22001576314166266,0.21679459941059556,0.15638492906586252
EOS-3-40288,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)s2)nc1,ZLBPODFMDCWFMZ-UHFFFAOYSA-N,3,1,0.333,32,368,433.5,5.039,6,0.387,0.74,0.999,0.045344733054622714,0.13044856418340073,0.4955194983208827,0.5281166472483038,0.29985736070180247
EOS-3-40289,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cnc1Cl,OZLPRDRTJIDWAV-UHFFFAOYSA-N,3,1,0.495,65,552,467.32,3.91,5,0.35,0.66,1.0,0.6649647042697553,0.694786169556576,0.5959838256459461,0.6253169762182167,0.6452629189226236
EOS-3-40290,Fc1ccc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1cccnc1,HMTUSQHMBPNVRH-UHFFFAOYSA-N,3,1,0.573,35,361,413.416,3.404,5,0.421,0.72,1.0,0.9544068261256939,0.9198478514152559,0.6556610239188541,0.6516260023302035,0.7953854259475018
EOS-3-40291,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cs1,RWBKCQAPHXZQRD-UHFFFAOYSA-N,3,1,0.538,87,393,415.482,3.635,5,0.418,0.74,1.0,0.5250753889383867,0.3726612295250497,0.28884243711877183,0.2312641354259475,0.3544607977520389
EOS-3-40292,Cc1cnnc(COc2cncc3nnc(-c4cc(-c5nnc(C)s5)cnn4)n23)c1,BEHFYOBTTZPKEB-UHFFFAOYSA-N,3,1,0.37,53,785,418.446,2.086,5,0.418,0.63,1.0,0.17593036803509013,0.14869611404290317,0.017853471317935715,0.013090261119868413,0.08889255362894935
EOS-3-40293,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)nn4)n23)ccn1,IZDYKNMOTBKVCV-UHFFFAOYSA-N,3,1,0.489,75,583,449.837,2.847,5,0.385,0.54,1.0,0.7615310808032348,0.7372781166472483,0.21640908779384552,0.2964155986567062,0.5029084709752587
EOS-3-40294,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(Cl)c1F,JQDUZOYROASEEB-UHFFFAOYSA-N,3,1,0.583,37,393,450.865,3.396,5,0.391,0.55,1.0,0.6861678431910082,0.6654615859091221,0.5505105887190734,0.567541635254609,0.6174204132684531
EOS-3-40295,Cc1nnc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ncn2)s1,NGPSMZLGNANDFF-UHFFFAOYSA-N,3,1,0.394,44,971,457.306,4.507,5,0.388,0.69,0.21,0.5196182578301692,0.5457473785210061,0.3103625522582414,0.47054691248029606,0.4615687752724282
EOS-3-40296,CCOc1ccnc(Cn2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,QPSJEBTZMHAJGQ-UHFFFAOYSA-N,3,1,0.278,98,882,465.481,2.677,6,0.377,0.63,1.0,0.19043417174970872,0.12722740045233363,0.10957953532999794,0.08677438146802824,0.12850387225001714
EOS-3-40297,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cccc(C)n4)n23)c1,RXWMNCPEUWQJHT-UHFFFAOYSA-N,3,1,0.396,7,211,412.457,3.352,5,0.422,0.76,1.0,0.1377218833527517,0.06780720992392571,0.22002433006647934,0.13827016654101842,0.14095589747104378
EOS-3-40298,Cc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)nc2C)n1,HLPXGKPAKMIXFP-UHFFFAOYSA-N,3,1,0.506,13,374,429.871,4.706,5,0.408,0.66,1.0,0.615122335686382,0.5643633061476252,0.49220409841683227,0.5047289424988006,0.54410467068741
EOS-3-40299,Cn1ncnc1-c1nscc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,WTSHJLICDMYWHK-UHFFFAOYSA-N,3,1,0.446,92,45,441.427,2.955,5,0.396,0.58,1.0,0.4159927352477555,0.459744020286478,0.21302515249126175,0.19362106778150914,0.32059574395175106
EOS-3-40300,Cc1nnc(-c2c[nH]c(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c2)s1,IUFYPXMVEZGBEU-UHFFFAOYSA-N,3,1,0.4,58,954,422.449,3.102,5,0.419,0.63,0.999,0.39202247961071895,0.27388458638886987,0.14430128161195258,0.1454920841614694,0.2389251079432527
EOS-3-40301,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cncnn5)nn4)n23)nc1,OYHAMEFLTVOMMG-UHFFFAOYSA-N,3,1,0.264,86,953,455.833,1.729,6,0.382,0.53,0.863,0.003221163731067096,0.08541224042217806,0.04163525460900555,0.10463641971078062,0.05872626961825783
EOS-3-40302,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cn1,XAUUDNRTKDISLS-UHFFFAOYSA-N,3,1,0.398,7,113,419.43,1.566,5,0.431,0.62,0.97,0.31188746487560826,0.20308751970392708,0.06314680282365842,0.04791481049962305,0.15650914947570418
EOS-3-40303,Cc1nc(-c2cc(F)cnc2Cl)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,MIOWNIZUKGDMPU-UHFFFAOYSA-N,3,1,0.457,18,531,462.876,3.761,5,0.351,0.62,1.0,0.7406706188746488,0.6654701528339387,0.43236412857240764,0.46113186210677815,0.5749091905969432
EOS-3-40304,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)c1F,MMNATIBHXQZHBO-UHFFFAOYSA-N,3,1,0.57,84,73,436.447,4.21,5,0.397,0.62,1.0,0.7134020971831951,0.6703532999794394,0.7949934891371393,0.7833339044616544,0.740520697690357
EOS-3-40305,Cn1nccc1-c1cc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)cnn1,ILUYJPHFLYQBJS-UHFFFAOYSA-N,3,1,0.438,92,434,420.824,2.004,5,0.393,0.62,0.999,0.472123226646563,0.5273970255637036,0.16605270372147213,0.16102391885408815,0.3316492186964567
EOS-3-40306,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ncn1,OUGFSWSXXOVTPA-UHFFFAOYSA-N,3,1,0.43,7,185,420.824,2.004,5,0.393,0.62,0.982,0.39854190939620315,0.564371873072442,0.10443081351518059,0.12935199780686724,0.2991741484476732
EOS-3-40307,CCn1ncc(-c2cc(COc3cncc4nnc(-c5cnccn5)n34)ccc2F)n1,HYDZEJIIAQKDHL-UHFFFAOYSA-N,3,1,0.466,92,62,417.408,2.578,5,0.415,0.62,1.0,0.3784610376259338,0.2790333082036872,0.20237646494414366,0.2019652525529436,0.265459015831677
EOS-3-40308,Cc1ccc(COc2cncc3nnc(-c4cc(-c5cnc(C)s5)ccn4)n23)nn1,LDKYIMOTWZPKFU-UHFFFAOYSA-N,3,1,0.409,92,587,416.47,3.296,5,0.43,0.68,1.0,0.26119697073538484,0.18942327462134192,0.11524227263381537,0.07426667123569324,0.16003229730655882
EOS-3-40309,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)cnc1F,VGIJKLLUQFQZAR-UHFFFAOYSA-N,3,1,0.396,54,511,418.367,2.896,5,0.402,0.62,1.0,0.664973271194572,0.4815554108697142,0.5992649578507299,0.5863803029264615,0.5830434857103693
EOS-3-40310,Clc1cccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1,BJSOPUROUFBTFV-UHFFFAOYSA-N,3,1,0.356,32,191,462.904,5.026,6,0.362,0.74,1.0,0.2343996299088479,0.37266979644986636,0.5895843328078952,0.6600644232746213,0.4641795456103077
EOS-3-40311,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cs2)n1,LFJCJMDDVFKTIW-UHFFFAOYSA-N,3,1,0.5,87,304,422.449,2.804,5,0.415,0.58,0.998,0.4555547940511274,0.4013261599616202,0.14430984853676923,0.15036666438215338,0.28788936673291754
EOS-3-40312,c1nc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6ccon6)n5)n34)cn2)n[nH]1,YZJUPLTUZUIKAL-UHFFFAOYSA-N,3,1,0.453,24,584,444.44,2.662,6,0.407,0.6,1.0,0.3244123089575766,0.40589233088890414,0.04980810088410664,0.04268041943663902,0.20569829004180662
EOS-3-40313,O=c1[nH]cc(-c2nnc3cncc(OCCc4cncnn4)n23)cc1-c1cc(F)ccn1,XUNMHDCHZZBNNO-UHFFFAOYSA-N,3,1,0.41,87,779,431.391,1.487,5,0.424,0.56,0.988,0.38533171132890137,0.1768127612912069,0.2060088410664108,0.24868069357823316,0.25420850181618804
EOS-3-40314,CCn1cnnc1-c1ccccc1-c1nnc2cncc(C(F)(F)c3ccc(F)cc3)n12,QHKYRHOWXPOJBF-UHFFFAOYSA-N,3,1,0.367,61,358,435.413,4.349,5,0.41,0.62,1.0,0.30411726406689055,0.46419025426632854,0.9297597834281406,0.9037934343088205,0.650465184017545
EOS-3-40315,Cc1cccc(OCc2cncc3nnc(-c4cccc(-c5cnc(C)nn5)c4)n23)n1,XVBULHUVWBMGII-UHFFFAOYSA-N,3,1,0.343,14,351,410.441,3.234,5,0.435,0.77,1.0,0.2743557672537866,0.21277671167157838,0.220032896991296,0.14781372078678637,0.21374477417586182
EOS-3-40316,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5ncncc5F)n34)cnn2)n1,FKEATPUANQACDV-UHFFFAOYSA-N,3,1,0.406,92,185,417.368,1.25,5,0.407,0.64,0.439,0.5046004386265506,0.4956908368172161,0.05150435199780687,0.058991844287574535,0.27769686793228704
EOS-3-40318,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c2)on1,CKBRGKVAUQWGJZ-UHFFFAOYSA-N,3,1,0.605,84,884,416.416,3.91,5,0.414,0.75,1.0,0.6376704818038517,0.5643804399972586,0.6259766294291002,0.5803663217051607,0.6020984682338428
EOS-3-40319,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3nccnc3-c3ccccn3)n12,OHCBDZOBLDHLDX-UHFFFAOYSA-N,3,1,0.3,64,114,453.853,4.014,6,0.389,0.59,0.97,0.20419265300527722,0.2894849564800219,0.30673017613597425,0.42021622918237267,0.30515600370091156
EOS-3-40320,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cn1,HAHYEPJQUFAREV-UHFFFAOYSA-N,3,1,0.411,46,720,448.849,3.718,5,0.375,0.58,1.0,0.6832893564526078,0.6030087039956137,0.6055273798917141,0.5707285312864094,0.6156384929065862
EOS-3-40321,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nc2)s1,KOLAQUQPWZRWLB-UHFFFAOYSA-N,3,1,0.329,32,572,467.493,4.276,6,0.378,0.65,0.997,0.20420121993009388,0.3533856486875471,0.292294907819889,0.3632290453018984,0.3032777054348571
EOS-3-40322,Cc1cc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)s2)ncn1,AFWGFSWNCSVGMQ-UHFFFAOYSA-N,3,1,0.299,76,543,467.493,4.276,6,0.378,0.65,0.827,0.15700603111507094,0.30980570214515796,0.3067387430607909,0.38241038996641763,0.28899021657185936
EOS-3-40323,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2F)n[nH]1,GHOOJMLZXAAFLL-UHFFFAOYSA-N,3,1,0.552,47,71,449.837,2.822,5,0.421,0.61,1.0,0.634826262764718,0.6801452950448907,0.5404530189843054,0.5578952779110411,0.6033299636762388
EOS-3-40324,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(Cl)n2)nc1,NQDQCEMDTHAZJE-UHFFFAOYSA-N,3,1,0.461,65,116,445.874,3.017,5,0.363,0.57,1.0,0.689294770749092,0.7849016517031047,0.11814646014666576,0.13589712836680146,0.432060002741416
EOS-3-40325,Fc1c(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)ccnc1Cl,HYOVYKIYMVRVDI-UHFFFAOYSA-N,3,1,0.552,35,352,446.873,4.662,5,0.353,0.69,1.0,0.8489308477828799,0.8919111095881023,0.8433794805016791,0.8564697416215475,0.8601727948735521
EOS-3-40326,Fc1ccc(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)c1,MHXSHIZRXGLQMU-UHFFFAOYSA-N,3,1,0.397,96,680,436.372,5.131,5,0.365,0.74,0.92,0.3601021177438147,0.6558751970392708,0.9764580906037968,0.9742906586251799,0.7416815160030156
EOS-3-40327,Cc1cccc(-c2nccnc2-c2nnc3cncc(Cc4cnc(-c5cncnc5)cc4F)n23)c1,BFGUJWASWKVXIH-UHFFFAOYSA-N,3,1,0.29,64,449,475.491,4.139,6,0.366,0.68,0.392,0.3268881502295936,0.24356623946268247,0.4681995750805291,0.48254917414844767,0.38030078473031326
EOS-3-40328,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(OCc4nnccc4Cl)n23)s1,ZYWJOUSJHJJJTO-UHFFFAOYSA-N,3,1,0.466,4,534,453.89,4.385,5,0.39,0.7,0.998,0.519626824754986,0.6030172709204304,0.332782194503461,0.47361387156466317,0.48226004043588516
EOS-3-40329,c1ccc(-c2ncccc2-c2cncc3nnc(-c4scnc4-c4cccnn4)n23)cc1,ZOBIFBAQWCILHU-UHFFFAOYSA-N,3,1,0.307,30,371,434.488,4.434,6,0.405,0.62,0.986,0.05140154890000685,0.08542080734699473,0.1955229250908094,0.302635186073607,0.15874511685285447
EOS-3-40330,COc1cc(-c2cnc(Cl)c(C)n2)ccc1-c1nnc2cncc(OCCc3cncnc3)n12,GAFUHLFPZYGFHK-UHFFFAOYSA-N,3,1,0.522,65,361,474.912,3.63,5,0.349,0.68,0.999,0.6179579878006991,0.560062709889658,0.355116167500514,0.2786563635117538,0.45294830717565626
EOS-3-40331,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5sc(C)nc5C)cnn4)n23)cn1,GOYBUYQMWVXHPG-UHFFFAOYSA-N,3,1,0.465,92,205,430.497,3.604,5,0.417,0.59,1.0,0.29094133369885544,0.2843019669659379,0.1016636967993969,0.06190459872524159,0.18470289904735795
EOS-3-40332,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nn5)cnn4)n23)nc1,ZDYDLIIAUQVRNI-UHFFFAOYSA-N,3,1,0.451,53,670,419.355,2.29,5,0.423,0.56,0.969,0.45086011925159347,0.4333578918511411,0.4070659995887876,0.4264957850729902,0.4294449489411281
EOS-3-40333,Cc1cnnc(-c2ccc(-c3nnc4cncc(COc5ccc(F)cn5)n34)cn2)n1,IMYDKOQGUSNWSW-UHFFFAOYSA-N,3,1,0.359,85,767,415.392,2.46,5,0.427,0.64,1.0,0.4943543965458159,0.5600712768144747,0.19210472208895896,0.17158693715303955,0.3545293331505723
EOS-3-40335,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cncs5)c(Cl)c4)n23)nc1,KMBPJEVKHUFFSY-UHFFFAOYSA-N,3,1,0.513,51,196,456.318,4.591,5,0.382,0.73,1.0,0.7675793297238024,0.7932458364745391,0.5799808100884106,0.6805822082105407,0.7053470461243232
EOS-3-40337,CCn1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)c1,QLAKTYKPXAAWLP-UHFFFAOYSA-N,3,1,0.489,13,145,418.407,4.745,5,0.412,0.76,1.0,0.6008584058666301,0.6080374888629977,0.8500274141594133,0.8166849427729422,0.7189020629154959
EOS-3-40338,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(NCc5ccc(F)cc5)cn4)n23)cc1,PZFMDTMIGUXOCO-UHFFFAOYSA-N,3,1,0.355,62,302,479.519,4.497,6,0.357,0.83,1.0,0.14316188061133575,0.0978000137070797,0.48197519018573093,0.48863169076828183,0.30289219381810706
EOS-3-40339,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)c(Cl)c4)n23)nn1,GTJHSUHHOAPWOP-UHFFFAOYSA-N,3,1,0.506,72,132,454.277,4.165,5,0.377,0.62,1.0,0.8223819477760264,0.8014700842985402,0.4819837571105476,0.5834761154136111,0.6723279761496813
EOS-3-40340,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnc(C)o5)nc4)n23)ncn1,ADRZWMNHRIPACA-UHFFFAOYSA-N,3,1,0.478,87,579,414.429,2.87,5,0.413,0.71,1.0,0.4206959769721061,0.3247806867246933,0.12368069357823316,0.07237338085120965,0.23538268453156053
EOS-3-40341,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nn2C)ccc1F,KNVHQLWBMQYDSW-UHFFFAOYSA-N,3,1,0.447,95,493,448.437,3.19,5,0.368,0.61,1.0,0.4746419025426633,0.36295490370776506,0.417577616338839,0.3792748954835172,0.40861232951819615
EOS-3-40342,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1ncccn1,LRUBJBOJERAYAM-UHFFFAOYSA-N,3,1,0.483,16,300,463.86,4.023,5,0.348,0.66,1.0,0.9535501336440272,0.8014786512233568,0.7249246110616133,0.6371907340141183,0.7792860324857789
EOS-3-40344,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)c(F)c1,VPUCNZKHKXROCT-UHFFFAOYSA-N,3,1,0.511,4,633,418.367,2.896,5,0.429,0.6,1.0,0.6920361866904257,0.7970752518675897,0.592762661914879,0.6013981221300801,0.6708180556507437
EOS-3-40345,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cnc(F)c4F)n23)ccn1,JQVSBSZAIZUXGR-UHFFFAOYSA-N,3,1,0.427,75,624,452.4,3.461,5,0.364,0.62,1.0,0.5865944760468782,0.5047889109725173,0.6912651634569255,0.6197741758618326,0.6006056815845384
EOS-3-40346,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccno5)n4)n23)nc1,HXCBHTSIUHIINX-UHFFFAOYSA-N,3,1,0.404,80,350,452.438,2.611,6,0.371,0.57,0.999,0.2344081968336646,0.13384963333561783,0.15647488177643754,0.11842916866561579,0.16079047015283393
EOS-3-40347,Clc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cn1,MHWMPEPGUTWKSC-UHFFFAOYSA-N,3,1,0.438,87,132,466.292,3.362,5,0.347,0.63,0.997,0.6093567952847646,0.689962990884792,0.29605578781440617,0.4169350969775889,0.5030776677403879
EOS-3-40348,Cc1nc(-c2ccncc2)c(-c2nnc3cncc(-c4ccc(-c5nccn5C)cn4)n23)s1,IFXXOPOCJQVXAH-UHFFFAOYSA-N,3,1,0.29,86,723,451.519,4.081,6,0.398,0.6,0.998,0.05824652182852443,0.07508909601809334,0.1095881022548146,0.11843773559043246,0.09034036392296621
EOS-3-40349,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccc2F)n[nH]1,MMPNPOMZPLWHGT-UHFFFAOYSA-N,3,1,0.584,15,563,416.42,3.04,5,0.453,0.65,1.0,0.8398327736275787,0.8014872181481736,0.28155198409978754,0.272436776094853,0.5488271879925982
EOS-3-40350,Cn1cc(-c2cnc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)cn2)cn1,MUDJZSFUTAUHOP-UHFFFAOYSA-N,3,1,0.406,6,843,463.465,2.413,6,0.362,0.56,0.998,0.2262353505585635,0.11374306079089849,0.12935199780686724,0.1004643273250634,0.14244868412034817
EOS-3-40351,Cc1cc(-c2nnc3cncc(Cc4ccc(-c5ccc(=O)n(C)n5)nn4)n23)c(F)cc1Cl,RBRALRPFKKRHAK-UHFFFAOYSA-N,3,1,0.306,22,487,462.876,3.034,5,0.404,0.61,0.421,0.36011068466863133,0.4333664587759578,0.3851432389829347,0.4611404290315948,0.40994020286477967
EOS-3-40352,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cc1,AUWGBLZSIXXSKQ-UHFFFAOYSA-N,3,1,0.5,4,817,413.416,3.67,5,0.434,0.71,1.0,0.7645038037146186,0.7505482831882667,0.6143855801521486,0.5610222054691248,0.6726149681310396
EOS-3-40353,Fc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)c1,CMHOURAXXGEBDJ-UHFFFAOYSA-N,3,1,0.684,91,660,412.428,4.009,5,0.419,0.76,1.0,0.8277105750119937,0.8758138578575835,0.7908470975258721,0.7878743746144884,0.8205614762524844
EOS-3-40354,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cnn(C)c4-c4ccccc4)n23)nc1,LRCMBIOHYXKTNU-UHFFFAOYSA-N,3,1,0.323,30,179,444.502,4.624,6,0.394,0.63,0.999,0.017382290453018985,0.02651463230758687,0.3814251936125009,0.39191110958810227,0.20430830649030224
EOS-3-40355,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(F)s5)n34)ccn2)cn1,OVKGKPKNOANVLD-UHFFFAOYSA-N,3,1,0.483,51,441,420.433,3.126,5,0.427,0.61,1.0,0.6649818381193887,0.5410612706462888,0.277799671030087,0.2140703173188952,0.4244782742786649
EOS-3-40356,CC(C)n1cc(CCOc2cncc3nnc(-c4cccc(-c5csnn5)c4)n23)nn1,FHNNDOYPNCHCHV-UHFFFAOYSA-N,3,1,0.477,15,460,433.501,3.104,5,0.385,0.6,1.0,0.2069683366458776,0.21766842574189568,0.055539373586457406,0.036615036666438214,0.12919779316016722
EOS-3-40357,N#Cc1cc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)ccc1F,TZZUJNQBROOXPX-UHFFFAOYSA-N,3,1,0.511,97,137,457.856,4.491,5,0.383,0.67,1.0,0.7406791857994655,0.8554931121924474,0.9237458022068399,0.9255962579672401,0.8613785895414983
EOS-3-40358,COc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C)cc5)n34)sn2)cc1F,MAJCAZPGLPMTDP-UHFFFAOYSA-N,3,1,0.529,1,230,447.495,4.95,5,0.367,0.75,1.0,0.7957302446713728,0.737286683572065,0.737826399835515,0.6341837434034678,0.7262567678706051
EOS-3-40359,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cn2)s1,IVZPIOGWOJQASO-UHFFFAOYSA-N,3,1,0.456,55,879,437.435,3.87,5,0.386,0.63,1.0,0.7497344253306834,0.7418357206497156,0.5672246590363923,0.507941539305051,0.6416840860804606
EOS-3-40360,Fc1cnc(-n2cc(-c3cncc4nnc(-c5nc(-c6ccccc6)no5)n34)nn2)c(Cl)c1,LQYNBTKHGSNUEB-UHFFFAOYSA-N,3,1,0.327,10,872,460.82,3.277,6,0.389,0.61,0.997,0.08351895003769447,0.11669008292783223,0.12634500719621686,0.28449900623672125,0.1527632615996162
EOS-3-40361,Cc1csc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nncn5C)c4)n23)n1,OYRQEQCYGKNPPP-UHFFFAOYSA-N,3,1,0.268,39,495,452.507,3.476,6,0.4,0.58,1.0,0.01157391542731821,0.04158385306010554,0.04014460969090535,0.05185559591529025,0.03628949352340484
EOS-3-40362,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cn1,SYYIJQRATRMSTJ-UHFFFAOYSA-N,3,1,0.474,87,510,416.42,2.742,5,0.393,0.67,1.0,0.6678260571585224,0.6080460557878145,0.24489411280926598,0.21942464532931258,0.4350477177712288
EOS-3-40363,Fc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,OVBIWOHHJDUUOU-UHFFFAOYSA-N,3,1,0.427,65,658,415.392,2.194,5,0.411,0.64,0.998,0.5326399835515043,0.48156397779453086,0.17583613186210678,0.2109348228359948,0.3502437290110342
EOS-3-40364,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)n3)n12,IULZUDYQCPMIRD-UHFFFAOYSA-N,3,1,0.573,11,275,446.873,4.662,5,0.377,0.67,1.0,0.8922109519566856,0.9491124665889932,0.7223716674662464,0.7993112192447399,0.8407515763141663
EOS-3-40365,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nc1F,FRIGJSAEQKUUMC-UHFFFAOYSA-N,3,1,0.37,51,924,437.826,2.748,5,0.386,0.55,0.998,0.5507847303132067,0.5136556781577685,0.3032520046604071,0.3243095058597766,0.42300047974778965
EOS-3-40366,Fc1ncccc1CCOc1cncc2nnc(-c3cc(-c4nccs4)ccc3Cl)n12,MYVQGDZVITZWSH-UHFFFAOYSA-N,3,1,0.565,11,0,452.902,4.724,5,0.347,0.75,1.0,0.8419916386813789,0.9198564183400727,0.67503084092934,0.7144044273867453,0.7878208313343842
EOS-3-40367,Cc1cnc(-c2nnc3cncc(-c4c(F)cc(F)cc4OCc4ccc(F)c(F)c4)n23)cn1,FQEFELQKBULHTL-UHFFFAOYSA-N,3,1,0.413,45,575,466.398,4.692,5,0.35,0.73,1.0,0.5610307723939415,0.6363683092317182,0.9517253786580769,0.9443920910150092,0.7733791378246864
EOS-3-40368,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cc4)n23)nc1,IHLNNBMTUDNLDI-UHFFFAOYSA-N,3,1,0.488,97,348,419.897,5.147,5,0.394,0.81,1.0,0.7583441847714344,0.7550887533411007,0.7908556644506888,0.8264598039887602,0.782687101637996
EOS-3-40369,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)cc1F,RHFRLSHQANIZCA-UHFFFAOYSA-N,3,1,0.483,36,79,455.816,2.887,5,0.398,0.54,1.0,0.532648550476321,0.6509920498937701,0.5571242546775409,0.6044479473648139,0.5863032006031115
EOS-3-40370,Fc1cnc(-c2cnc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cn2)nc1,YNPOEFSTKKAIET-UHFFFAOYSA-N,3,1,0.389,65,48,450.825,2.242,5,0.379,0.52,0.968,0.7042783222534439,0.67505654170379,0.10167226372421356,0.1610324857789048,0.410509903365088
EOS-3-40371,CCc1nc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1-c1cnn(C)c1,FKTZYRGATAGIHY-UHFFFAOYSA-N,3,1,0.398,92,980,448.437,3.401,5,0.393,0.56,0.998,0.4342488520320746,0.3679151531766157,0.5026129120690837,0.4389349599067919,0.4359279692961414
EOS-3-40372,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ncn2)cn1,PPNGJPPOHIAWMM-UHFFFAOYSA-N,3,1,0.413,31,296,416.47,3.03,5,0.416,0.67,0.999,0.4995802206839833,0.26887293537111917,0.12368926050304982,0.10047289424988007,0.24815382770200808
EOS-3-40373,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)cn1,VLCROUOLTPHGJA-UHFFFAOYSA-N,3,1,0.333,96,478,421.251,4.012,5,0.406,0.64,1.0,0.3041258309917072,0.43337502570077446,0.7568278390788843,0.8564783085463642,0.5877017510794326
EOS-3-40374,c1c[nH]c(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cncs6)n5)n34)cc2)c1,VNOCHXJFFGTCHZ-UHFFFAOYSA-N,3,1,0.404,40,59,452.503,4.279,6,0.402,0.66,1.0,0.5455846069494894,0.5228565554108697,0.347431635939963,0.34369645671989585,0.4398923137550545
EOS-3-40375,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5ncco5)c4)n23)nc1Cl,UYYIARKANMAKNM-UHFFFAOYSA-N,3,1,0.465,24,199,424.783,3.003,5,0.392,0.62,1.0,0.6893033376739086,0.5689294770749092,0.3032605715852238,0.3309231718182441,0.47310413953807146
EOS-3-40376,Cn1c(-c2ccccc2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nc3F)n12,HIJJBKKKOICGAZ-UHFFFAOYSA-N,3,1,0.394,30,220,448.465,4.455,6,0.37,0.65,1.0,0.1570145980398876,0.29967959701185665,0.30326913851004045,0.43894352683160853,0.2997267150983483
EOS-3-40377,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5sncc5C)n34)c2)cs1,GDCSUAWYEQGPRU-UHFFFAOYSA-N,3,1,0.55,16,506,420.523,4.567,5,0.415,0.75,1.0,0.29640703173188954,0.3201802480981427,0.18553389075457474,0.15290247412788704,0.2387559111781235
EOS-3-40378,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c(F)c2F)o1,DTUHIDWMGBKOIN-UHFFFAOYSA-N,3,1,0.489,37,832,453.384,3.584,5,0.384,0.58,1.0,0.7615396477280515,0.7464018915769995,0.5705229250908094,0.5610307723939415,0.6598738091974504
EOS-3-40379,Clc1ncc(-c2ccccn2)cc1-c1nnc2cncc(OCCc3ccsc3)n12,HPOQDLOELLKLCX-UHFFFAOYSA-N,3,1,0.478,35,76,434.912,4.585,5,0.364,0.7,1.0,0.6711928586114728,0.7141131519429785,0.5061510520183675,0.5545798780069906,0.6115092351449524
EOS-3-40380,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)s5)n34)nc2)n1,MJAYHRZMRDVJRK-UHFFFAOYSA-N,3,1,0.286,33,66,472.534,3.641,6,0.401,0.68,1.0,0.3144832430950586,0.17235796038653964,0.02534096360770338,0.02072339113151943,0.13322638955520524
EOS-3-40381,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3cccc(C)n3)n12,MLNUUMZCNBZPLT-UHFFFAOYSA-N,3,1,0.463,15,804,442.483,2.92,5,0.379,0.56,1.0,0.385340278253718,0.12352648893153313,0.07998081008841067,0.033608046055787814,0.1556139058323624
EOS-3-40382,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6c[nH]nn6)n5)n34)nc2)cc1,RBSCPUVDUIVOQH-UHFFFAOYSA-N,3,1,0.273,30,301,417.436,3.7,6,0.466,0.63,0.896,0.036529367418271536,0.08209684051812761,0.34352511822356246,0.41379103556987185,0.21898559043245835
EOS-3-40384,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccnnc5-c5ccccc5Cl)n34)nc2)n1,KVCPOKOQWKFIRD-UHFFFAOYSA-N,3,1,0.329,98,314,467.884,3.154,6,0.384,0.57,1.0,0.17887739017202384,0.25834418477143445,0.1660612706462888,0.2845075731615379,0.22194760468782126
EOS-3-40385,Cc1coc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)cn2)n1,PPNKQLGBGNRODF-UHFFFAOYSA-N,3,1,0.488,4,786,417.404,3.571,5,0.427,0.68,1.0,0.6494414365019533,0.5790555822082105,0.33619183058049484,0.2430522239736824,0.4519352683160852
EOS-3-40386,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)cc1F,HUAGFVZQPXKTQY-UHFFFAOYSA-N,3,1,0.511,20,778,432.394,2.938,5,0.403,0.52,1.0,0.7164690562675622,0.7232369268727298,0.5832276745939278,0.6044565142896305,0.6568475430059626
EOS-3-40387,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ncc(F)cc5F)n34)cnn2)nn1,GGQRMSAYWKIFLY-UHFFFAOYSA-N,3,1,0.34,53,706,419.355,2.812,5,0.433,0.58,1.0,0.6067438832156808,0.5689380439997258,0.3661332328147488,0.35637550544856417,0.47454766636967993
EOS-3-40388,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)n1C,MRDILUXCWZGSSC-UHFFFAOYSA-N,3,1,0.362,9,171,462.492,4.763,6,0.375,0.72,1.0,0.2314783085463642,0.3487338085120965,0.570531492015626,0.6044650812144473,0.4388021725721335
EOS-3-40389,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnsc5)nc4)n23)cc1,ANYKLXDBQQIUAV-UHFFFAOYSA-N,3,1,0.314,38,57,436.504,4.377,6,0.408,0.6,1.0,0.11029059008978137,0.08869337262696182,0.5132701665410184,0.4794822150640806,0.29793408608046057
EOS-3-40390,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc2F)nn1,UWXBQVVXYNNFKL-UHFFFAOYSA-N,3,1,0.436,31,578,463.864,3.156,5,0.35,0.61,1.0,0.8119131656500582,0.7932544033993557,0.262739017202385,0.30264375299842367,0.5426375848125558
EOS-3-40391,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)ncc1F,SJLRIEMVMQAGJR-UHFFFAOYSA-N,3,1,0.417,18,194,463.864,3.156,5,0.35,0.61,1.0,0.7928431910081557,0.6313566582139675,0.2815605510246042,0.30606195600027414,0.5029555890617503
EOS-3-40392,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ncc5F)n34)nc2)nc1,BTFCYXGDAOEJCA-UHFFFAOYSA-N,3,1,0.451,18,263,466.839,3.591,5,0.35,0.64,1.0,0.8754797477897334,0.8988674525392365,0.6143941470769653,0.6429562744157358,0.7579244054554177
EOS-3-40393,Cc1cccnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,PXBKQTFPJIEYHL-UHFFFAOYSA-N,3,1,0.303,69,57,441.498,5.286,6,0.37,0.78,1.0,0.1159276266191488,0.1235350558563498,0.6665752861352888,0.6459632650263861,0.3880003084092934
EOS-3-40394,Cn1nncc1-c1cnc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cn4)n23)cn1,KIOBJKVTHXLSSK-UHFFFAOYSA-N,3,1,0.26,86,953,452.417,2.035,6,0.39,0.52,0.992,0.08352751696251114,0.17236652731135632,0.07133678294839285,0.1114299910903982,0.10966520457816463
EOS-3-40395,Cc1ccc(-c2nnc3cncc(-c4cccnc4-c4cc(F)c(F)c(F)c4)n23)cn1,YVFZNOWQBJQZAS-UHFFFAOYSA-N,3,1,0.38,96,46,418.382,4.641,5,0.399,0.74,0.999,0.39640874511685287,0.5643890069220753,0.9328267425125077,0.9267013912685902,0.7050814714550064
EOS-3-40396,Cc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cccc(F)n3)n12,JGHLGSDFNWGFLQ-UHFFFAOYSA-N,3,1,0.479,58,954,428.431,3.107,5,0.38,0.6,1.0,0.7645123706394352,0.732514906449181,0.1921132890137756,0.1768384620656569,0.46649475704201215
EOS-3-40397,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)c1Cl,YQTRAJGOAKIMOV-UHFFFAOYSA-N,3,1,0.494,18,949,465.851,4.196,5,0.347,0.66,1.0,0.864608320197382,0.8056421766842574,0.777902474127887,0.8036375162771572,0.8129476218216709
EOS-3-40398,CCc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4cccc(Cl)n4)nc3)n12,JRDBCQCAZDSDTQ-UHFFFAOYSA-N,3,1,0.333,50,974,416.876,3.865,5,0.413,0.74,0.998,0.12663628263998356,0.18519978068672469,0.24490267973408264,0.3026523199232404,0.2148477657460078
EOS-3-40399,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccc2F)s1,VOGSPAWWDRGUKF-UHFFFAOYSA-N,3,1,0.512,16,606,450.474,4.784,5,0.383,0.7,1.0,0.7872575560276883,0.7464104585018162,0.7639383866767185,0.6864334178603249,0.746009954766637
EOS-3-40400,COc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ncn2)cc1C,ZBIHXRXWEXHQME-UHFFFAOYSA-N,3,1,0.39,18,194,458.457,3.116,5,0.363,0.59,0.642,0.5224967445685696,0.38685662394626824,0.252321636625317,0.16618120759372215,0.3319640531834692
EOS-3-40401,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)ccn1,RCXJQRINVRUBNE-UHFFFAOYSA-N,3,1,0.446,18,578,432.394,2.938,5,0.377,0.58,1.0,0.8144746761702419,0.7277602631759303,0.6113443218422315,0.5803748886299774,0.6834885374545954
EOS-3-40402,Cc1nnc(-c2cccc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)c2)o1,NOJVPSSVFIJPPN-UHFFFAOYSA-N,3,1,0.512,13,145,439.262,5.249,5,0.378,0.75,1.0,0.6205708998697828,0.7550973202659174,0.7328147488177644,0.7925690494140224,0.7252630045918718
EOS-3-40403,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)nc2F)nc1,ACRMHWIPABJVBY-UHFFFAOYSA-N,3,1,0.415,46,223,466.839,3.857,5,0.36,0.65,1.0,0.707422383661161,0.7372952504968816,0.5959923925707628,0.607720512644781,0.6621076348433965
EOS-3-40404,CCc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)cc2F)cn1,VKJIADNVZLLEHC-UHFFFAOYSA-N,3,1,0.737,79,824,439.494,5.176,5,0.35,0.77,1.0,0.9506716469056268,0.9334178603248577,0.7908642313755054,0.7434120348159825,0.8545914433554931
EOS-3-40406,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(Cl)c5)cc4F)n23)cc1,ZWOKVGHRUGKULX-UHFFFAOYSA-N,3,1,0.5,97,744,446.873,4.928,5,0.356,0.75,1.0,0.9131827839078884,0.8864625454047015,0.8606846686313481,0.8564868754711809,0.8792042183537797
EOS-3-40407,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)ccc1F,XTPJFTRWLYJITA-UHFFFAOYSA-N,3,1,0.506,97,183,446.873,4.928,5,0.356,0.75,1.0,0.8774073058734837,0.8355921458433281,0.8988760194640532,0.8880731272702351,0.874987149612775
EOS-3-40408,OCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)s1,LCKXAPPYTSUMMJ-UHFFFAOYSA-N,3,1,0.494,16,256,457.928,3.491,5,0.412,0.62,1.0,0.5402902474127887,0.5984425330683298,0.16294291001302172,0.23411692138989787,0.38394815297100954
EOS-3-40409,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)c1F,YYJKOXLKHTYZIB-UHFFFAOYSA-N,3,1,0.539,37,353,447.449,3.795,5,0.394,0.58,1.0,0.8119217325748749,0.7679819751901857,0.6586508806798711,0.5834846823384278,0.7055098176958399
EOS-3-40410,N=c1cnc(-c2cncc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c2)n[nH]1,SEBAEBHWCHSHBH-UHFFFAOYSA-N,3,1,0.389,2,131,433.823,1.473,5,0.391,0.68,1.0,0.5046090055513672,0.4508258515523268,0.09422760605852923,0.10048146117469674,0.28753598108423
EOS-3-40411,C=C(c1ccc(F)cc1)c1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,LTFNHFOMMXWFIR-UHFFFAOYSA-N,3,1,0.404,83,613,428.858,5.102,5,0.398,0.78,1.0,0.4696045507504626,0.5689466109245426,0.809831402919608,0.8462322664656295,0.6736537077650607
EOS-3-40412,Fc1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccnc(F)c5)c4)n23)cc1,MNZJEBFFLYUFIR-UHFFFAOYSA-N,3,1,0.409,57,358,417.394,4.861,5,0.392,0.8,1.0,0.6008669727914467,0.7970838187924063,0.9715492426838462,0.9775289562058803,0.8367572476183949
EOS-3-40413,Fc1cnc(-c2ccc(-c3nnc4cncc(Oc5cnc(Cl)c(F)c5)n34)cc2F)nc1,RVWKDGHQWDZODG-UHFFFAOYSA-N,3,1,0.448,73,82,455.787,4.506,5,0.368,0.63,1.0,0.9506802138304434,0.9407768487423754,0.9055325200466041,0.915076074292372,0.9280164142279488
EOS-3-40414,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)cc1,PYFOAHRJEVWMHU-UHFFFAOYSA-N,3,1,0.256,76,880,419.412,2.49,6,0.457,0.58,0.997,0.09799705297786307,0.09475875539716264,0.08494105955726132,0.1359056952916181,0.10340064080597629
EOS-3-40415,C#CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1F,OTLLNDDPLVBLHP-UHFFFAOYSA-N,3,1,0.495,26,911,459.872,4.055,5,0.356,0.65,1.0,0.6524741278870536,0.684985607566308,0.8263912685902268,0.8186210677815091,0.7456180179562745
EOS-3-40416,FC1(F)CC(n2ncc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)C1,VQFDFUJLNXWTFF-UHFFFAOYSA-N,3,1,0.313,50,974,431.41,3.477,6,0.43,0.55,0.657,0.08590912206154479,0.19859845109999313,0.3513381536563635,0.4611489959564115,0.2742486806935782
EOS-3-40417,Clc1ccc(OCc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)nc1,RYMJGIDGJGQFML-UHFFFAOYSA-N,3,1,0.394,14,351,415.844,3.876,5,0.43,0.64,1.0,0.43686176410115823,0.5228651223356864,0.6615208004934549,0.6717068741004729,0.5732386402576931
EOS-3-40418,N#Cc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)nc1,GEQTUKZQCUQCLZ-UHFFFAOYSA-N,3,1,0.317,38,154,460.436,3.711,6,0.421,0.55,1.0,0.29366561579055583,0.41988211911452267,0.6528168048797204,0.6487475155918032,0.5037780138441506
EOS-3-40419,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,JSQVVVQDIPTXJF-UHFFFAOYSA-N,3,1,0.658,59,294,464.863,5.067,5,0.361,0.76,1.0,0.9369902679734082,0.9198649852648894,0.9357480638749914,0.9309505859776575,0.9308884757727367
EOS-3-40420,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cccnn6)n5)n34)cn2)n1,RNYNOZDCHFXOQU-UHFFFAOYSA-N,3,1,0.367,6,843,465.437,2.371,6,0.354,0.65,1.0,0.4229833458981564,0.3148773216366253,0.04015317661572202,0.0294873552189706,0.20187529984236857
EOS-3-40421,FCc1cc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)ccn1,VFBHHPDUACEKDT-UHFFFAOYSA-N,3,1,0.567,19,207,461.888,4.388,5,0.355,0.64,1.0,0.5750034267699267,0.6030258378452471,0.6665838530601056,0.7088273593310945,0.6383601192515935
EOS-3-40422,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)c(F)cn4)n23)c(F)n1,NFWLYMLAQLSRDL-UHFFFAOYSA-N,3,1,0.506,4,338,437.435,3.87,5,0.386,0.64,1.0,0.6376790487286683,0.6558837639640874,0.5739239942430265,0.5213659104927695,0.597213179357138
EOS-3-40423,Cc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cnc(C)o5)c4)n23)n1,HLJVWFNQUODWOJ-UHFFFAOYSA-N,3,1,0.494,87,307,413.441,3.475,5,0.417,0.75,1.0,0.4006493729011034,0.19394661092454252,0.2414844767322322,0.15291104105270373,0.24724787540264545
EOS-3-40424,Fc1ccccc1-c1ncsc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,SUHHRSJXJFEBMN-UHFFFAOYSA-N,3,1,0.355,32,20,451.49,5.178,6,0.367,0.77,1.0,0.15423034747447056,0.3291755191556439,0.5436484819409225,0.6312452881913508,0.414574909190597
EOS-3-40425,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ncn2)nn1,BRQNIGOUYSUPKC-UHFFFAOYSA-N,3,1,0.436,31,194,430.407,1.897,5,0.394,0.53,0.957,0.6205794667945994,0.46848228359947913,0.10168083064903022,0.1090312521417312,0.32494345829620996
EOS-3-40426,Fc1cnccc1CCOc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,VVOYGUDIUJHYES-UHFFFAOYSA-N,3,1,0.593,35,300,413.416,3.404,5,0.421,0.7,1.0,0.8555273798917141,0.7763689945857035,0.5505191556438901,0.5181447467617024,0.6751400692207525
EOS-3-40427,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)ccn2)nn1,CSLGINCPCNNHMX-UHFFFAOYSA-N,3,1,0.446,55,486,466.292,3.628,5,0.358,0.63,1.0,0.6465458159139196,0.6606812418614214,0.4505517099581934,0.5012507710232335,0.564757384689192
EOS-3-40428,COCc1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5ccccn5)c4)n23)cn1,GGMKGGVSAMSHRB-UHFFFAOYSA-N,3,1,0.473,24,786,459.897,4.022,5,0.336,0.68,1.0,0.5981426906997465,0.6408231101363855,0.5436570488657392,0.48574463710506477,0.5670918717017339
EOS-3-40429,Cc1noc2ncc(-c3ncc(-c4nnc5cncc(-c6cn(-c7cccnc7)nn6)n45)cn3)cc12,NRYWCZFTLUZXDV-UHFFFAOYSA-N,3,1,0.235,86,780,474.448,2.736,7,0.37,0.66,1.0,0.05654170379000754,0.09780858063189637,0.0756630799808101,0.08495819340689466,0.07874288945240217
EOS-3-40430,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(=O)[nH]5)cn4)n23)cc1,MRYMJQDQGVUBJH-UHFFFAOYSA-N,3,1,0.512,89,731,411.425,2.824,5,0.473,0.71,1.0,0.49958878760879993,0.3822904530189843,0.392382290453019,0.3309317387430608,0.401298317455966
EOS-3-40431,Clc1cccc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)n1,KDKPHQYAFVPZJZ-UHFFFAOYSA-N,3,1,0.483,4,875,416.832,3.271,5,0.402,0.66,1.0,0.44839284490439313,0.5365036666438215,0.4469364676855596,0.4794907819888973,0.47783094030566786
EOS-3-40432,Cc1ccc(-c2nnc3cncc(CCc4cc(-c5cnc(F)c(F)c5)ncn4)n23)nc1,MOULINABNDFWDV-UHFFFAOYSA-N,3,1,0.32,85,580,430.422,3.41,5,0.394,0.58,0.99,0.38534884517853474,0.3961860050716195,0.4611061613323281,0.4580991707216778,0.42518504557604003
EOS-3-40433,Cc1ccc(-c2nnc3cncc(OCc4cncnc4-c4cncc(F)c4)n23)cc1,QNWJTVXLJVHLHL-UHFFFAOYSA-N,3,1,0.512,16,214,413.416,3.67,5,0.434,0.72,1.0,0.9390120622301419,0.8014957850729902,0.6289921869645672,0.5894558289356453,0.7397389658008362
EOS-3-40434,COc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cc2)n1,RBGWLDKEQJYBQX-UHFFFAOYSA-N,3,1,0.352,25,508,480.467,3.254,6,0.366,0.7,1.0,0.4299996573230073,0.46419882119114525,0.31422623535055855,0.287266122952505,0.37392270920430404
EOS-3-40435,Cc1cc(C)nc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)n1,HOTXKTAARDWHCQ-UHFFFAOYSA-N,3,1,0.543,55,85,416.47,3.296,5,0.43,0.69,1.0,0.4006579398259201,0.36792372010143237,0.08983277362757865,0.0590004112123912,0.2293537111918306
EOS-3-40437,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cscn1,LVTGQKKEDCANFK-UHFFFAOYSA-N,3,1,0.533,72,132,465.926,3.988,5,0.355,0.66,1.0,0.64945000342677,0.6998492221232266,0.3435336851483791,0.315374203275992,0.502051778493592
EOS-3-40438,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cccnc5)c4)n23)cn1,CPZSRMQJJHXTID-UHFFFAOYSA-N,3,1,0.29,70,719,433.439,2.501,6,0.412,0.49,0.991,0.09088650538002878,0.04159241998492221,0.1443184154615859,0.15556678774587074,0.10809103214310191
EOS-3-40440,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,DRRHYKNCYJLPEB-UHFFFAOYSA-N,3,1,0.456,18,324,414.404,2.799,5,0.418,0.66,1.0,0.7437975464327325,0.7418442875745322,0.4359365362209581,0.4169436639024056,0.5846305085326572
EOS-3-40441,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccnnc4)ccn3)n12,JQBOJUVXRUQQJJ-UHFFFAOYSA-N,3,1,0.467,18,840,414.404,2.799,5,0.418,0.67,1.0,0.6618891782605716,0.5274055924885204,0.5169796449866356,0.4886402576930985,0.5487286683572066
EOS-3-40442,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)ccc1-c1cscn1,ONNAPTQDLSILLW-UHFFFAOYSA-N,3,1,0.441,46,122,451.462,4.124,5,0.359,0.68,0.728,0.5507932972380234,0.5939705983140292,0.41019292714687133,0.38550304982523476,0.4851149681310397
EOS-3-40443,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)nn1,VHAFNBSJYJSRNO-UHFFFAOYSA-N,3,1,0.43,7,354,436.798,2.2,5,0.378,0.53,0.999,0.6039681995750805,0.7849102186279213,0.2023850318689603,0.2638527174285518,0.46377904187512853
EOS-3-40444,COc1cccc(-c2cnccc2-c2nnc3cncc(Cc4ccc(F)nc4)n23)c1,YVXYTMVZEIIKJP-UHFFFAOYSA-N,3,1,0.378,14,81,412.428,3.987,5,0.406,0.81,0.998,0.5533976423822905,0.4684908505242958,0.7732592008772531,0.7144129943115619,0.6273901720238503
EOS-3-40445,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cncc4Cl)n23)cn1,LZROYQGKRBQASM-UHFFFAOYSA-N,3,1,0.533,84,559,461.888,4.366,5,0.371,0.65,1.0,0.8941470769652525,0.9179973956548557,0.6084487012541978,0.6197827427866494,0.7600939791652389
EOS-3-40446,Cc1ccccc1-c1nc(CCc2cncc3nnc(-c4cncc(F)c4)n23)n(C)n1,BHROIKHEGQEDLE-UHFFFAOYSA-N,3,1,0.357,85,580,414.448,3.215,5,0.439,0.78,0.906,0.18196148310602425,0.2636813789322185,0.07567164690562675,0.13384106641080118,0.16378889383866768
EOS-3-40447,Cn1nnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c(F)c1,AYUGYNYPZSAQKT-UHFFFAOYSA-N,3,1,0.518,25,722,471.481,4.037,6,0.371,0.68,1.0,0.5019703927078336,0.5892673565896785,0.41020149407168804,0.42650435199780684,0.48198589884175175
EOS-3-40448,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc(C)no5)nc4)n23)cn1,PFEVHRRKYHFTBH-UHFFFAOYSA-N,3,1,0.267,86,812,465.481,3.194,6,0.373,0.6,1.0,0.1210592145843328,0.0947673223219793,0.014221095195668563,0.010246042080734699,0.06007341854567884
EOS-3-40449,Cc1nc(C(=O)c2ncc(Cl)cc2Cl)c(-c2cncc3nnc(-c4cnccn4)n23)n1C,WTJFCJCWPVXGQW-UHFFFAOYSA-N,3,1,0.262,50,206,466.292,3.223,5,0.371,0.64,1.0,0.11872901103419917,0.17237509423617298,0.06121067781509149,0.15557535467068742,0.12697253443903775
EOS-3-40450,Cc1ccc(-c2nnc3cncc(OCc4ccncc4-c4ccc(F)nc4)n23)cn1,BVGNLMWOGWAALR-UHFFFAOYSA-N,3,1,0.494,97,879,413.416,3.67,5,0.406,0.8,1.0,0.8040658625179905,0.7679905421150024,0.7017682132821602,0.619791309711466,0.7234039819066548
EOS-3-40451,Cc1ccc(-c2nnc3cncc(-c4cc(F)c(F)cc4OCc4cccc(C)n4)n23)cn1,XSMPTVOHYFQDCZ-UHFFFAOYSA-N,3,1,0.354,96,92,444.445,4.722,5,0.39,0.65,0.983,0.637687615653485,0.6558923308889041,0.853154341717497,0.7666541018436023,0.7283470975258721
EOS-3-40452,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cs1,OAXQLNHEPRDTAS-UHFFFAOYSA-N,3,1,0.457,65,822,416.47,3.03,5,0.416,0.68,1.0,0.4531303543280104,0.32018881502295937,0.11815502707148243,0.09446747995339592,0.24648541909396202
EOS-3-40453,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1nc(C)n[nH]1,QSTCTTWNKVLFTR-UHFFFAOYSA-N,3,1,0.424,31,690,447.89,3.47,5,0.42,0.58,0.882,0.362338085120965,0.472842848331163,0.12114488383249948,0.1359142622164348,0.27306001987526557
EOS-3-40454,Cc1nc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1-c1nnco1,KWFOZGDZHIFAMW-UHFFFAOYSA-N,3,1,0.42,46,980,422.355,2.797,5,0.421,0.56,1.0,0.667834624083339,0.49078198889726543,0.4070745665136043,0.3855116167500514,0.487800699061065
EOS-3-40455,COc1cnc(COc2cncc3nnc(-c4cnc(-c5ncc(F)cn5)cn4)n23)nc1,WCQPKDYKYNFICE-UHFFFAOYSA-N,3,1,0.364,51,48,432.379,1.555,5,0.386,0.53,1.0,0.6920447536152423,0.5643975738468919,0.06935782331574258,0.04942258926735659,0.3438056850113083
EOS-3-40456,COc1cccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(F)nc6)nn5)n34)cn2)n1,NDGXKROXPQNBFH-UHFFFAOYSA-N,3,1,0.29,10,37,466.44,3.039,6,0.353,0.63,1.0,0.09557261325474607,0.2583527516962511,0.3288499760126105,0.2845161400863546,0.24182287026249058
EOS-3-40457,c1ncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)ncn2)nn1,KECLZTCJBSPWLZ-UHFFFAOYSA-N,3,1,0.462,40,355,465.502,3.741,6,0.362,0.62,1.0,0.457705092180111,0.45083441847714345,0.35134672058118016,0.34046672606401207,0.40008823932561166
EOS-3-40458,Fc1cc(F)cc(COc2cncc3nnc(-c4cc(-c5cccc(F)n5)n[nH]4)n23)c1,PESCOKLCBSKHSO-UHFFFAOYSA-N,3,1,0.443,59,16,423.358,3.573,5,0.435,0.59,1.0,0.6093653622095813,0.4815725447193475,0.8433880474264958,0.8532228771160304,0.6968872078678636
EOS-3-40459,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5ncnn5C)c4)n23)c1,WUOLZSHNJZJKSB-UHFFFAOYSA-N,3,1,0.528,37,125,464.892,3.704,5,0.353,0.66,0.985,0.7010742923720101,0.7505568501130834,0.47835138098828045,0.4947313412377493,0.6061784661777808
EOS-3-40460,CCOC(=O)c1ccc(-c2nnc3cncc(-c4nc(C(F)F)cc(=O)n4CC)n23)c(Cl)c1,POLHUXFFLNBJMV-UHFFFAOYSA-N,3,1,0.327,66,999,474.855,3.803,4,0.391,0.65,0.897,0.3553646083201974,0.4508429854019601,0.40708313343842095,0.3792834624083339,0.3981435473922281
EOS-3-40461,CCc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)nc2F)n1,PTJNDMDPZWVJPD-UHFFFAOYSA-N,3,1,0.379,31,116,444.434,2.151,5,0.344,0.59,0.651,0.6555239531217874,0.617675279281749,0.03471317935713796,0.03242581043108766,0.33508455554794053
EOS-3-40462,Cn1nc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)cc1-c1cccnn1,URHLAGIIMFWHCU-UHFFFAOYSA-N,3,1,0.413,81,984,463.465,2.413,6,0.362,0.57,0.672,0.17593893495990678,0.09477588924679597,0.07998937701322734,0.0742752381605099,0.10624485984511
EOS-3-40463,Cc1nccc(CCOc2cncc3nnc(-c4ncc(-c5ncccn5)nc4Cl)n23)c1F,TUHJXIQDSIFIBT-UHFFFAOYSA-N,3,1,0.432,18,262,463.864,3.156,5,0.374,0.57,1.0,0.7469416078404496,0.6998577890480433,0.16606983757110547,0.20791069837571105,0.45519498320882734
EOS-3-40464,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(-c6cncnc6)n5)n34)ccn2)cc1,BKUCFKOFTJRXBX-UHFFFAOYSA-N,3,1,0.479,40,414,477.463,3.818,6,0.353,0.68,1.0,0.6832979233774245,0.6750651086286067,0.5061596189431842,0.49473990816256597,0.5898156397779454
EOS-3-40465,FC(F)c1nnc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)s1,VVNCOTJLJAEWBW-UHFFFAOYSA-N,3,1,0.424,18,658,453.438,3.054,5,0.366,0.59,0.996,0.45313892125282706,0.4288088547734905,0.14432698238640257,0.12312384346514975,0.2873496504694675
EOS-3-40466,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c(F)n2)n[nH]1,WGCNKHBTFHVWKP-UHFFFAOYSA-N,3,1,0.424,31,24,452.841,2.484,5,0.385,0.57,0.999,0.6465543828387362,0.670361866904256,0.07363271879925981,0.11386299773833185,0.376102991570146
EOS-3-40467,COc1cc(-c2ccccc2F)ccc1-c1nnc2cncc(OCc3cnc(Cl)cn3)n12,ZFQLIVGNZROIFB-UHFFFAOYSA-N,3,1,0.446,97,700,462.872,4.628,5,0.363,0.72,1.0,0.7844219039133713,0.7763775615105202,0.8119388664245083,0.787882941539305,0.7901553183469262
EOS-3-40468,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)ccc1F,PHHBLZNMJMVFOA-UHFFFAOYSA-N,3,1,0.396,44,130,461.888,4.366,5,0.347,0.7,0.998,0.7226886436844631,0.7094613117675279,0.6586594476046879,0.6805907751353574,0.692850044548009
EOS-3-40469,Cc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)n2)cnc1F,BURIASUYZMKHCQ-UHFFFAOYSA-N,3,1,0.38,45,140,434.837,5.155,5,0.367,0.75,1.0,0.4071431019121376,0.69986635597286,0.9271468713590569,0.9377098896580084,0.7429665547255158
EOS-3-40470,CCOc1ccc2cc(-c3cncc4nnc(-c5ccc(C(C)(O)CO)nc5)n34)n(C)c2c1,ZLEKFGSPZCRJEC-UHFFFAOYSA-N,3,1,0.327,82,336,444.495,2.944,5,0.414,0.58,0.992,0.35302583784524705,0.33889041189774516,0.72493317798643,0.48864882461791515,0.47637456308683435
EOS-3-40471,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnc2Cl)s1,PWTXPKLSAGEXMN-UHFFFAOYSA-N,3,1,0.5,65,904,468.905,3.822,5,0.346,0.71,1.0,0.6524826948118704,0.8171132890137757,0.30674730998560756,0.3663645397847988,0.5356769583990131
EOS-3-40472,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5nc(-c6ccnn6C)ccc5F)n34)n2)nn1,YSUAHBODONNVME-UHFFFAOYSA-N,3,1,0.267,76,272,465.456,2.948,6,0.386,0.57,1.0,0.09089507230484545,0.17238366116098966,0.11525083955863204,0.1273644712494003,0.12647351106846685
EOS-3-40473,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5nc(Cl)ns5)n34)c2)cn1,ROCFIVIVFOICGY-UHFFFAOYSA-N,3,1,0.427,2,419,440.851,3.471,5,0.382,0.63,1.0,0.44135939962990883,0.6030344047700638,0.32885854293742717,0.4137996024946885,0.446762987458022
EOS-3-40474,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c(F)c1,UYAWRRBIASNDFJ-UHFFFAOYSA-N,3,1,0.351,32,693,454.494,4.516,6,0.389,0.64,1.0,0.21498697827427868,0.320197381947776,0.6319220752518676,0.6167157837022822,0.44595555479405113
EOS-3-40475,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncc(F)cn5)n4)n23)cn1,MYECTLUJEIPNHE-UHFFFAOYSA-N,3,1,0.471,7,185,416.38,1.855,5,0.418,0.61,1.0,0.6093739291343979,0.6030429716948804,0.06936639024055925,0.07238194777602631,0.338541309711466
EOS-3-40476,Cc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)ccn2)n1,VOBFXMFILODRKI-UHFFFAOYSA-N,3,1,0.511,24,805,442.91,5.098,5,0.377,0.74,1.0,0.816976218216709,0.8615927626619149,0.7548060448221506,0.7088359262559112,0.7855527379891715
EOS-3-40477,FC(F)c1ccc(Cc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cn1,RPKVRWBNAGGSKT-UHFFFAOYSA-N,3,1,0.402,14,319,414.419,4.777,5,0.414,0.81,0.998,0.3985504763210198,0.41067267493660475,0.9161212391200055,0.885468782125968,0.6527032931258995
EOS-3-40478,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccco5)s4)n23)cc1,IJTDEFNZTZNYBQ-UHFFFAOYSA-N,3,1,0.467,67,415,457.479,3.277,6,0.371,0.63,1.0,0.3463864711123295,0.24357480638749915,0.057252758549790964,0.060508189980124735,0.17693055650743608
EOS-3-40479,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5cnccn5)n34)c2)cn1,KICXQPVPRXWDQY-UHFFFAOYSA-N,3,1,0.472,7,815,412.413,2.11,5,0.446,0.74,1.0,0.44612260982797614,0.35850866972791445,0.28503015557535466,0.22241450209032965,0.3280189843053937
EOS-3-40480,COc1ncccc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nn1C,NOZAWHDMLRQBOC-UHFFFAOYSA-N,3,1,0.442,95,493,462.901,3.265,5,0.339,0.67,1.0,0.35537317524501405,0.25836131862106776,0.25555136728120076,0.21407888424371188,0.2708411863477486
EOS-3-40481,CCn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,AIRJNIKQEAZYCI-UHFFFAOYSA-N,3,1,0.321,8,608,464.468,3.728,6,0.355,0.62,1.0,0.17888595709684052,0.2688815022959358,0.11816359399629908,0.179854019601124,0.18644626824754987
EOS-3-40482,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)c(F)n1,JMKJRRCHUNNYMT-UHFFFAOYSA-N,3,1,0.5,4,677,420.433,3.126,5,0.4,0.67,1.0,0.3964173120416695,0.5002141731204167,0.29954252621478994,0.26087142759235143,0.3642613597423069
EOS-3-40483,COc1ncc(-c2nnc3cncc(Cc4cncc5ccccc45)n23)cc1-c1ncc(F)cn1,JCGOXZPFECOOFN-UHFFFAOYSA-N,3,1,0.312,80,260,464.464,3.93,6,0.378,0.65,1.0,0.4796449866355973,0.5790641491330272,0.4284833116304571,0.4202247961071894,0.47685431087656777
EOS-3-40484,COCc1ncc(-c2nnc3cncc(-c4ccc(-c5cc(C)n[nH]5)cc4F)n23)cn1,WFSDZDUIJUHXRO-UHFFFAOYSA-N,3,1,0.284,82,478,416.42,3.232,5,0.469,0.61,1.0,0.3920310465355356,0.4059008978137208,0.46111472825714483,0.42023336303200604,0.41982000890960186
EOS-3-40485,Cc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)n1,DSRMYPOKVGFLRI-UHFFFAOYSA-N,3,1,0.488,65,131,415.482,3.635,5,0.418,0.69,1.0,0.6318278390788843,0.40590946473853745,0.22704920841614695,0.18264683709135768,0.3618583373312316
EOS-3-40486,COc1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccc1-c1ncnn1C,JNLAOBFAGPFJFT-UHFFFAOYSA-N,3,1,0.473,16,718,450.409,2.848,5,0.364,0.57,1.0,0.631836406003701,0.5181276129120691,0.5770851895003769,0.4485898841751765,0.5439097731478308
EOS-3-40487,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccc2F)cn1,JRDHJLLVTVNASY-UHFFFAOYSA-N,3,1,0.591,15,545,429.459,3.83,5,0.391,0.59,1.0,0.6123980535946817,0.5892759235144952,0.48543622781166473,0.4422503598108423,0.5323401411829211
EOS-3-40488,COc1cnc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4F)n23)cn1,KMXMCTSHBPNYFZ-UHFFFAOYSA-N,3,1,0.471,7,85,420.364,2.358,5,0.378,0.64,1.0,0.6406603385648687,0.5843585086697279,0.23783496676033172,0.15037523130697006,0.40330726132547456
EOS-3-40489,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cn1,RRQUYHMHCPHILU-UHFFFAOYSA-N,3,1,0.543,15,426,414.494,4.24,5,0.414,0.77,1.0,0.6376961825783017,0.522873689260503,0.4070917003632376,0.3468919196765129,0.47863837296963885
EOS-3-40490,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,IXIYMUJNZGMUKD-UHFFFAOYSA-N,3,1,0.361,82,243,418.411,4.069,5,0.428,0.65,0.646,0.2638869851278185,0.25836988554588447,0.6803594681653073,0.5863888698512781,0.44725130217257214
EOS-3-40491,Fc1cnc(-c2ccc(Cl)nn2)cc1COc1cncc2nnc(-c3cnc(Cl)nc3)n12,DTPOVTIWHXKNHZ-UHFFFAOYSA-N,3,1,0.438,55,434,470.255,3.458,5,0.356,0.63,0.975,0.7556798711534508,0.8132838736207251,0.5770937564251936,0.6401291892262353,0.6965466726064011
EOS-3-40492,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)nc2C)n1,BZUYVBZSZXZNDZ-UHFFFAOYSA-N,3,1,0.421,46,445,463.423,4.256,5,0.36,0.66,1.0,0.8093773559043246,0.755105887190734,0.7615996162017682,0.6920790213145089,0.754540470152834
EOS-3-40494,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cncs6)nc5)n34)cn2)n1,POPDFDQOVDHCSV-UHFFFAOYSA-N,3,1,0.303,42,664,457.91,4.211,6,0.365,0.64,0.981,0.01912137619080255,0.16816016722637242,0.38143376053731753,0.44859845109999313,0.25432843876362143
EOS-3-40495,Cc1csc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)n1,DMQHUOCYPBIDOT-UHFFFAOYSA-N,3,1,0.568,97,214,424.486,4.398,5,0.416,0.71,1.0,0.6494585703515866,0.6606898087862381,0.3778699198135837,0.35973373997669794,0.5119380097320265
EOS-3-40496,Clc1ccc(Cl)c(-c2nnc3cncc(-c4ccc(-c5nccs5)nc4)n23)c1,VSMNUPJUNSXZCO-UHFFFAOYSA-N,3,1,0.375,45,140,425.304,5.284,5,0.393,0.82,1.0,0.19865841957370983,0.45085155232677676,0.752552943595367,0.8631433760537317,0.5663015728873964
EOS-3-40497,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5csnn5)cc4F)n23)cc1,CFZOBOQNCXBAOJ-UHFFFAOYSA-N,3,1,0.346,3,923,470.468,4.712,6,0.368,0.75,1.0,0.18197005003084094,0.34874237543691317,0.7453909944486328,0.8100198752655746,0.5215308237954904
EOS-3-40498,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnc(Cl)nc5)n4)n23)cn1,WTNTWHMHAJPVJB-UHFFFAOYSA-N,3,1,0.306,76,968,466.896,3.759,6,0.361,0.64,0.997,0.1488160509903365,0.26368994585703515,0.34744020286477967,0.35324001096566376,0.27829655266945375
EOS-3-40499,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ncc1-c1ccsc1,KANAZJHXKFBBED-UHFFFAOYSA-N,3,1,0.372,51,48,451.899,3.946,5,0.382,0.61,1.0,0.6435473922280858,0.5317747241450209,0.3397899390034953,0.31538277020080874,0.4576237063943527
EOS-3-40500,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)c1,CLERDGKDJAGOBW-UHFFFAOYSA-N,3,1,0.529,75,496,443.898,4.227,5,0.363,0.64,1.0,0.7928517579329724,0.7633729696388184,0.6144027140017819,0.5925656226440956,0.690798266054417
EOS-3-40501,Cc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)c2)nn1,SPOOWFNCZFEOJV-UHFFFAOYSA-N,3,1,0.378,71,826,477.492,2.721,6,0.352,0.66,1.0,0.19308991844287574,0.13045713110821738,0.1564834487012542,0.10464498663559729,0.14616887122198616
EOS-3-40502,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)n1,JAABGJAFOGXQDM-UHFFFAOYSA-N,3,1,0.384,58,531,462.876,3.761,5,0.351,0.63,0.996,0.7164776231923788,0.6408316770612021,0.3327907614282777,0.3919196765129189,0.5205049345486944
EOS-3-40503,Cc1nc(-c2ncnc(-c3cncc4nnc(-c5cnc(-c6ccncc6)cn5)n34)n2)n(C)n1,HOHNPSHYLNLLMO-UHFFFAOYSA-N,3,1,0.265,86,852,449.442,1.599,6,0.386,0.52,0.763,0.025315262833253374,0.010537317524501405,0.007256185319717634,0.005225824138167363,0.012083647453909944
EOS-3-40504,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)nnc1Cl,TUBGENPJHBTUHZ-UHFFFAOYSA-N,3,1,0.478,75,324,449.837,2.847,5,0.385,0.53,1.0,0.7074309505859776,0.7418528544993489,0.3067558769104242,0.3632376122267151,0.5298193235556165
EOS-3-40505,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4Cl)n23)n1,CDJZBDRHNSPEJJ-UHFFFAOYSA-N,3,1,0.442,20,262,449.837,2.847,5,0.36,0.58,1.0,0.7984116921389898,0.8322681790144609,0.1921218559385923,0.2548146117469673,0.5194040847097525
EOS-3-40506,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)n[nH]4)n23)nc1,VGZVRVRADKFUOU-UHFFFAOYSA-N,3,1,0.473,11,963,417.86,3.851,5,0.451,0.64,0.999,0.5302412446028374,0.5410698375711055,0.45418408608046057,0.5415324515112055,0.5167569049414023
EOS-3-40507,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)c2)s1,DNDOZVIIABZUFP-UHFFFAOYSA-N,3,1,0.449,2,419,449.927,4.554,5,0.388,0.7,1.0,0.5070163114248509,0.5505791241176068,0.48899150161058186,0.44541155506819274,0.4979996230553081
EOS-3-40509,Cc1ncc(-c2cc(-c3nnc4cncc(Cc5cnn(Cc6ccncc6)n5)n34)ncn2)s1,AAZDMGHVCZKBSQ-UHFFFAOYSA-N,3,1,0.264,85,60,467.522,2.639,6,0.363,0.59,0.091,0.02322493317798643,0.01643136179836886,0.02857926118840381,0.02767973408265369,0.023978822561853196
EOS-3-40510,COc1cc(OCCCc2cncc3nnc(-c4ccc(Cl)cc4F)n23)ccc1Cl,XLGVMTPXYLSHAY-UHFFFAOYSA-N,3,1,0.442,23,370,447.297,5.257,4,0.362,0.79,1.0,0.7074395175107944,0.8616013295867315,0.8988845863888698,0.9193509697758893,0.8468191008155712
EOS-3-40511,CCc1nc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)ccc1-c1ccc(C)nn1,MEFAWJRFDSJIGZ-UHFFFAOYSA-N,3,1,0.337,14,358,459.916,4.897,5,0.372,0.71,0.039,0.3644712494003153,0.41538448358577207,0.5705400589404427,0.6138715646631485,0.4910668391474196
EOS-3-40512,OCc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cn1,PLWPJWKSLSTLEP-UHFFFAOYSA-N,3,1,0.42,31,873,461.873,2.2,5,0.384,0.56,0.234,0.4844852991570146,0.4333835926255911,0.2164176547186622,0.23721814817353162,0.3428761736686999
EOS-3-40513,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3sccc3Cl)n12,PBQUXBGOTUFKQG-UHFFFAOYSA-N,3,1,0.524,37,846,452.902,4.724,5,0.371,0.7,1.0,0.9213641971078061,0.942130422863409,0.6937838393530258,0.7512679048728669,0.827136591049277
EOS-3-40514,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,APSTYLGAWVBSRP-UHFFFAOYSA-N,3,1,0.561,35,265,452.902,4.724,5,0.371,0.7,1.0,0.9278236584195737,0.9271554382838736,0.7300990336508807,0.7487406620519498,0.8334546981015695
EOS-3-40515,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)c(Cl)c1,BGGPUWIGYKQPFU-UHFFFAOYSA-N,3,1,0.329,42,369,467.924,4.308,6,0.383,0.67,1.0,0.22058974710437942,0.28431053389075456,0.4541926530052772,0.4705554794051127,0.35741210335138096
EOS-3-40516,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)s4)n23)cc1,CNNURGNOQFOVOP-UHFFFAOYSA-N,3,1,0.312,38,193,425.477,4.575,6,0.411,0.66,1.0,0.10781474881776437,0.09781714755671304,0.38880131587965183,0.4073058734836543,0.2504347714344459
EOS-3-40517,CCn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,WNYXRRQNOUCTCE-UHFFFAOYSA-N,3,1,0.512,34,252,453.84,4.794,5,0.38,0.68,1.0,0.8420002056061956,0.935062709889658,0.7779110410527037,0.8166935096977589,0.842916866561579
EOS-3-40518,Cc1ccncc1CCOc1cncc2nnc(-c3cc(-c4cn(C(F)F)cn4)ncn3)n12,IPDFQUFEMSQIEB-UHFFFAOYSA-N,3,1,0.392,31,194,449.425,3.165,5,0.373,0.6,0.738,0.47213179357137963,0.32918408608046057,0.5370947844561716,0.42651291892262355,0.44123089575765884
EOS-3-40519,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cn1,BJAZDQJHECYFMN-UHFFFAOYSA-N,3,1,0.518,35,76,413.416,3.404,5,0.394,0.77,1.0,0.9022513878418204,0.8728240010965663,0.5505277225687067,0.5148721814817353,0.7101188232472072
EOS-3-40520,CCc1nc(-c2nnc3cncc(OCc4ccc(F)nn4)n23)ccc1-c1cncn1C,ZLDXOKZCQOIPIG-UHFFFAOYSA-N,3,1,0.381,31,690,431.435,2.657,5,0.404,0.53,0.826,0.37389486669864985,0.3914741964224522,0.14433554931121925,0.11387156466314852,0.25589404427386747
EOS-3-40521,Fc1c(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)ccnc1Cl,IZADDWBTXMDJIH-UHFFFAOYSA-N,3,1,0.583,75,698,447.861,4.057,5,0.362,0.64,1.0,0.8668100198752656,0.8524518538825303,0.6692395997532725,0.680599342060174,0.7672752038928106
EOS-3-40522,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)c(Cl)c5)n34)ncn2)cn1,HWHAOESUTLAKCI-UHFFFAOYSA-N,3,1,0.506,44,573,450.289,5.051,5,0.378,0.71,1.0,0.6618977451853882,0.6313652251387842,0.7928260571585224,0.8224590500993764,0.7271370193955178
EOS-3-40523,Cc1nc(-c2cncn2C)c(-c2cncc3nnc(-c4cc(-c5ccncc5)ccc4F)n23)n1C,QVPYJABXDKYUNJ-UHFFFAOYSA-N,3,1,0.318,10,314,465.496,4.102,6,0.389,0.64,0.374,0.1986669864985265,0.2636985127818518,0.362569392091015,0.3919282434377356,0.3042157837022822
EOS-3-40524,Cc1nn(C)c(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccc(-c4cncn4C)cc3)n12,CJHHSTJHYDAWTQ-UHFFFAOYSA-N,3,1,0.377,9,98,464.508,4.707,6,0.378,0.67,1.0,0.14317044753615243,0.26889006922075254,0.567233225961209,0.5707370982112261,0.387507710232335
EOS-3-40525,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccccc5)n4)n23)c(F)c1,KWYXVOJKZHHRKB-UHFFFAOYSA-N,3,1,0.423,81,807,467.468,3.491,6,0.37,0.64,1.0,0.36928586114728257,0.43792406277842505,0.4033308203687204,0.39193681036255223,0.40061938866424507
EOS-3-40526,Cn1ccnc1-c1cc(Cl)cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)c1,OXDZKMAUDVDINP-UHFFFAOYSA-N,3,1,0.529,37,639,449.877,4.001,5,0.364,0.61,1.0,0.7226972106092797,0.6510006168185868,0.5895928997327119,0.6107360701802481,0.6435066993352067
EOS-3-40527,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)sn5)n34)c2)o1,JQDGYLUATCZMCR-UHFFFAOYSA-N,3,1,0.489,87,307,439.888,3.881,5,0.392,0.62,1.0,0.49689020629154956,0.5600798437392913,0.202393598793777,0.22242306901514633,0.3704466794599411
EOS-3-40528,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)c(F)n4)n23)n(C)n1,GMSDTNAKDZPOJM-UHFFFAOYSA-N,3,1,0.368,31,662,420.412,1.742,5,0.395,0.62,0.892,0.21789116578712905,0.3202059488725927,0.079997943938044,0.054571311082173946,0.16816659241998494
EOS-3-40529,Cc1n[nH]c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c(Cl)cn2)n1,JILWNEBEEDEXBH-UHFFFAOYSA-N,3,1,0.5,16,772,467.32,4.474,5,0.406,0.67,1.0,0.6861764101158249,0.7232454937975464,0.6204423959975327,0.6658299636762388,0.6739235658967857
EOS-3-40530,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)n1,VDONQRHFNJYXKZ-UHFFFAOYSA-N,3,1,0.462,87,529,418.457,4.07,5,0.387,0.72,1.0,0.6151309026111987,0.6264735110684668,0.4854447947364814,0.49783256802138304,0.5562204441093825
EOS-3-40531,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c(Cl)cn2)c1,ZHAUVWHRSGKHKU-UHFFFAOYSA-N,3,1,0.479,87,304,467.32,3.91,5,0.374,0.62,0.999,0.6861849770406415,0.7551144541155507,0.47483894181344666,0.5512045096292235,0.6168357206497156
EOS-3-40532,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nncc(C)n5)c4)n23)cn1,HUOLLPRXMUUKGB-UHFFFAOYSA-N,3,1,0.524,89,250,410.441,3.234,5,0.435,0.8,1.0,0.4943629634706326,0.39619457199643615,0.2850387225001713,0.21094338976081145,0.3466349119320129
EOS-3-40533,CCc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)c(C#N)n2)s1,YXERZLHDHWNZSX-UHFFFAOYSA-N,3,1,0.417,4,677,455.507,3.421,5,0.378,0.59,1.0,0.32689671715441027,0.3868651908710849,0.07364128572407648,0.053217736961140426,0.210155232677678
EOS-3-40534,NC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OCc4cccc(Cl)n4)n23)cc1,POADZRFUOPEQEX-UHFFFAOYSA-N,3,1,0.375,62,3,457.881,3.58,5,0.387,0.58,1.0,0.42070454389692274,0.3629634706325817,0.4783599479130971,0.40392193818107053,0.41648747515591805
EOS-3-40535,c1ccc(-c2ccnc(-c3nnc4cncc(OCc5nccc(-c6cncs6)n5)n34)c2)cc1,PBNCJADPZIHXII-UHFFFAOYSA-N,3,1,0.387,28,59,464.514,4.346,6,0.358,0.71,1.0,0.3739034336234665,0.32478925364950995,0.2699181001987527,0.29051298745802207,0.3147809437324378
EOS-3-40536,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncccc5Cl)c4)n23)cn1,ZYSKSSXQMDCGEM-UHFFFAOYSA-N,3,1,0.451,55,659,451.277,3.924,5,0.371,0.61,0.999,0.6773439106298403,0.842582756493729,0.5602511822356246,0.6658385306010555,0.6865040949900624
EOS-3-40537,Cc1nc(-c2cc(F)c(F)cn2)c(-c2cncc3nnc(-c4cnc(Cl)nc4)n23)n1C,OFOWZVNCMUILBI-UHFFFAOYSA-N,3,1,0.274,50,489,439.817,3.284,5,0.398,0.55,0.401,0.2638955520526352,0.3533942156123638,0.3586885751490645,0.45810773764649443,0.3585215201151395
EOS-3-40538,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccnc5F)n34)ccn2)cn1,OQQSZIJIWRRFCD-UHFFFAOYSA-N,3,1,0.466,75,441,414.404,3.065,5,0.404,0.71,0.999,0.8066616407374408,0.6220272770886163,0.48545336166129804,0.38886128435336853,0.575750890960181
EOS-3-40539,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2Cl)s1,UAGWQAWNSZDBIZ-UHFFFAOYSA-N,3,1,0.512,72,208,471.333,4.294,5,0.374,0.74,1.0,0.6039767664998972,0.7720855321773696,0.3067644438352409,0.41695223082722227,0.5249447433349325
EOS-3-40540,Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)cn1,WKFIABZTIHSURC-UHFFFAOYSA-N,3,1,0.482,97,91,413.416,3.67,5,0.434,0.73,1.0,0.8646168871221986,0.797092385717223,0.6413114248509355,0.589464395860462,0.7231212733877048
EOS-3-40541,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ncn1,WWVYDVSTXVTNBG-UHFFFAOYSA-N,3,1,0.427,89,463,485.483,2.592,6,0.373,0.78,1.0,0.4027825371804537,0.2485350558563498,0.1152594064834487,0.127373038174217,0.22348750942361728
EOS-3-40542,Cc1nn(C)cc1COc1cncc2nnc(-c3cc(-c4cc(F)ccn4)ccn3)n12,VKXJNBBDDYGDGD-UHFFFAOYSA-N,3,1,0.407,46,181,416.42,3.008,5,0.435,0.62,1.0,0.30925741895689124,0.2738931533136865,0.3288671098622438,0.2934086080460558,0.30135657254471937
EOS-3-40543,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncnnc5F)cc4F)n23)ncc1Cl,KSNGZIKLHDAALC-UHFFFAOYSA-N,3,1,0.484,73,469,470.802,3.688,5,0.383,0.62,1.0,0.8489394147076965,0.8836782948392845,0.8433966143513124,0.8616955657597148,0.859427472414502
EOS-3-40544,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)cn4)n23)nn1,WREXMFSIFMYDJD-UHFFFAOYSA-N,3,1,0.265,70,813,467.884,3.154,6,0.359,0.62,0.499,0.09800561990267974,0.17239222808580631,0.18218422315125762,0.26964395860461926,0.18055650743609075
EOS-3-40545,CCn1nc(-c2cccc(F)c2)nc1-c1cncc2nnc(-c3cc(C)sc3C)n12,ILIGYLQTJLHWFQ-UHFFFAOYSA-N,3,1,0.405,22,336,419.489,4.554,5,0.427,0.74,1.0,0.07935542457679391,0.23813480912891508,0.08494962648207799,0.14550065108628607,0.13698512781851827
EOS-3-40546,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cncnn5)c4)n23)cc1C(F)(F)F,ZPXIDYNARYTUKI-UHFFFAOYSA-N,3,1,0.473,53,51,465.399,3.34,5,0.385,0.57,0.988,0.8119302994996916,0.7141217188677952,0.8941213761908026,0.7833424713864711,0.8008789664861901
EOS-3-40547,Clc1cncc(COc2cncc3nnc(-c4cncc(-c5ccccc5)c4)n23)c1,MKQRCKXKJQGIKX-UHFFFAOYSA-N,3,1,0.494,97,137,414.856,4.481,5,0.422,0.77,1.0,0.7527499828661504,0.7048523062161607,0.7732677678020697,0.8145860461928586,0.7613640257693098
EOS-3-40548,N#Cc1cc(F)cc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)c1,IPZSQIQUNQRUEH-UHFFFAOYSA-N,3,1,0.536,97,439,458.403,4.721,5,0.354,0.7,1.0,0.90055513672812,0.8864711123295183,0.9781714755671305,0.9763295867315468,0.9353818278390789
EOS-3-40549,COc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cncs3)n12,UIPFXXWUTXHISG-UHFFFAOYSA-N,3,1,0.506,58,710,437.51,3.396,5,0.382,0.61,1.0,0.4484014118292098,0.2894935234048386,0.06937495716537592,0.045301898430539375,0.2131429477074909
EOS-3-40550,O=c1[nH]cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cn5)n34)cn2)o1,HXWGSDAKAWEGAU-UHFFFAOYSA-N,3,1,0.292,32,392,424.38,2.852,6,0.452,0.58,0.867,0.29094990062367215,0.20309608662874373,0.2960643547392228,0.2756322390514701,0.2664356452607772
EOS-3-40551,CCc1nc(OC)ncc1-c1nnc2cncc(-c3ccc(-c4nc(C)cs4)cc3F)n12,KZHKBNBTOYXQQO-UHFFFAOYSA-N,3,1,0.297,82,336,447.499,4.39,5,0.395,0.68,0.993,0.4092676992666712,0.4106812418614214,0.17584469878692344,0.1405918031663354,0.2840963607703379
EOS-3-40552,Cn1c(C#N)ccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccncn5)n4)n23)cc1,ASVSNBFOKNTTLS-UHFFFAOYSA-N,3,1,0.323,38,126,455.485,4.187,6,0.392,0.59,1.0,0.25070248783496674,0.16816873415118908,0.6472397368240697,0.6014066890548968,0.4168794119662806
EOS-3-40553,COc1cnc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)c(F)c1,PAMPCUYTPCSSIS-UHFFFAOYSA-N,3,1,0.421,2,422,463.86,4.023,5,0.372,0.64,1.0,0.7319323555616476,0.7418614214241656,0.7068398327736276,0.6630799808100885,0.7109283976423822
EOS-3-40554,Cc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)c(Cl)n1,JKQDETPWZBULMN-UHFFFAOYSA-N,3,1,0.523,75,166,462.876,3.761,5,0.351,0.62,1.0,0.9085395106572545,0.8459581248714961,0.41758618326365565,0.4297169488040573,0.6504501918991159
EOS-3-40555,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccc5F)c4)n23)cc1,WMPRDXTZOSFKFI-UHFFFAOYSA-N,3,1,0.342,69,867,447.477,5.06,6,0.378,0.7,1.0,0.2909584675484888,0.2996881639366733,0.7525615105201837,0.7512764717976835,0.5236211534507573
EOS-3-40556,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3cccs3)n12,IKMRCMCPGBRAIY-UHFFFAOYSA-N,3,1,0.588,31,456,445.508,3.643,5,0.374,0.61,0.999,0.5095521211705846,0.32479782057432666,0.12369782742786649,0.06862106778150914,0.2566672092385717
EOS-3-40557,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)s4)n23)n1,FHAHGROKDXSYMT-UHFFFAOYSA-N,3,1,0.276,10,871,456.922,4.816,6,0.378,0.7,0.664,0.010100404358851347,0.07843019669659379,0.38515180590775133,0.544873552189706,0.25463898978822563
EOS-3-40558,FCc1nccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(Cl)c4)n23)n1,BXNWAQOVBXVIMZ-UHFFFAOYSA-N,3,1,0.506,73,82,466.839,3.879,5,0.371,0.63,1.0,0.8398413405523953,0.8836868617641012,0.4990919059694332,0.5349359194023713,0.6893890069220752
EOS-3-40559,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)c(F)c1,ZPORNJMPIJLDAT-UHFFFAOYSA-N,3,1,0.443,68,12,472.362,2.572,4,0.335,0.66,1.0,0.7104293742718114,0.6998749228976766,0.8893581659927352,0.7248389418134467,0.7561253512439174
EOS-3-40560,Cc1cnc(-c2cccc(-c3nnc4cncc(COc5cccc(F)n5)n34)c2)cn1,DRPBEWIWLXXIAS-UHFFFAOYSA-N,3,1,0.359,14,351,413.416,3.67,5,0.406,0.74,1.0,0.5019789596326503,0.5002227400452334,0.5269601123980536,0.4486070180248098,0.49444220752518675
EOS-3-40561,Fc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)c(F)cn1,UWIIBSSFSANWFD-UHFFFAOYSA-N,3,1,0.365,13,971,455.787,4.506,5,0.368,0.65,0.994,0.7257813035432801,0.7720940991021863,0.9255020217942568,0.9385580152148585,0.8404838599136455
EOS-3-40562,Fc1cncc(COc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)c1F,OXBIDLRAGULMAY-UHFFFAOYSA-N,3,1,0.398,46,564,418.367,2.896,5,0.429,0.58,1.0,0.6205880337194161,0.4642073881159619,0.6556695908436707,0.637199300938935,0.5944160784044958
EOS-3-40563,c1cncc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)s2)c1,GUGYOGVJVGGWFO-UHFFFAOYSA-N,3,1,0.433,80,277,466.49,3.136,6,0.361,0.64,1.0,0.3118960318004249,0.382299019943801,0.08495819340689466,0.08856486875471181,0.2169295284764581
EOS-3-40564,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5Cl)n34)cc2F)cn1,UTBDRSNSZCNDOT-UHFFFAOYSA-N,3,1,0.524,97,91,450.836,4.759,5,0.359,0.71,1.0,0.9480587348365431,0.9421389897882256,0.9510314577479269,0.9553834555547941,0.9491531594818725
EOS-3-40565,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)c(F)c1,UFLDBGAYYADBMO-UHFFFAOYSA-N,3,1,0.293,64,27,472.39,4.383,6,0.372,0.67,1.0,0.36011925159344804,0.45975258721129464,0.7709718319512028,0.8244551435816599,0.6038247035844013
EOS-3-40566,CCn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c2)c1,XJHIDHPLFOJJGG-UHFFFAOYSA-N,3,1,0.457,16,55,415.432,3.788,5,0.393,0.75,1.0,0.5326571174011376,0.46421595504077856,0.6233551504351997,0.5281252141731204,0.537088359262559
EOS-3-40567,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5Cl)c4)n23)cc1F,VOSUVDRHMJLBDA-UHFFFAOYSA-N,3,1,0.33,96,648,476.874,4.812,5,0.376,0.8,1.0,0.3830871770269344,0.4106898087862381,0.9123260914262217,0.9083424713864711,0.6536113871564663
EOS-3-40568,Fc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5csc(F)n5)c4)n23)c1,OXUKJYKKRCEGAZ-UHFFFAOYSA-N,3,1,0.484,87,307,437.435,3.605,5,0.401,0.58,1.0,0.6833064903022411,0.6363768761565348,0.5269686793228703,0.5213744774175861,0.5920066307998081
EOS-3-40569,CCOC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cn(C)nn5)ccc4OC)n23)c(F)c1,IJALXGLLXGSGIK-UHFFFAOYSA-N,3,1,0.327,61,697,473.468,3.578,5,0.344,0.73,0.999,0.26390411897745186,0.2895020903296553,0.4715749434582962,0.3060705229250908,0.33276291892262355
EOS-3-40570,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cn2)s1,BGAHRBJEAXUNQJ-UHFFFAOYSA-N,3,1,0.505,87,307,451.462,3.913,5,0.387,0.61,1.0,0.6861935439654582,0.7633815365636352,0.4434754300596258,0.4233260228908231,0.5790941333698856
EOS-3-40571,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(Oc3ccc(Cl)cn3)n12,LNLTWAYYGSUTPN-UHFFFAOYSA-N,3,1,0.41,13,417,418.819,4.833,5,0.416,0.74,1.0,0.8625094236172983,0.8967085874854362,0.8835583578918511,0.8990130902611199,0.8854473648139264
EOS-3-40572,Fc1ccsc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nn1,PCUVLHBMRCHSSK-UHFFFAOYSA-N,3,1,0.435,56,425,472.469,3.208,6,0.388,0.62,1.0,0.6833150572270578,0.6510091837434034,0.17898876019464052,0.20791926530052773,0.43030806661640736
EOS-3-40573,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)nn2)no1,LHLWCBFCVVGNCB-UHFFFAOYSA-N,3,1,0.392,80,843,465.437,2.371,6,0.354,0.66,1.0,0.4071516688369543,0.35340278253718044,0.03203173188952094,0.03042971694880406,0.2057539750531149
EOS-3-40574,FC(F)(F)c1ccc(Cl)c(-c2nnc3cncc(Cc4cccc(-c5c[nH]nn5)c4)n23)c1,ZGJXMSQFTNLZSU-UHFFFAOYSA-N,3,1,0.353,14,225,455.831,4.839,5,0.419,0.69,1.0,0.37391200054828316,0.5505876910424234,0.987158179699815,0.9816153793434309,0.7233183126584881
EOS-3-40575,CC#Cc1cc(-c2cc(-c3cncc4nnc(-c5cc(Cl)ccn5)n34)ncn2)ccn1,UKPOAPMASYDRGK-UHFFFAOYSA-N,3,1,0.276,50,155,424.855,3.73,5,0.407,0.59,1.0,0.16248886299773832,0.23302892193818106,0.5739325611678432,0.5863974367760949,0.38896194571996434
EOS-3-40576,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)c1,DWQDUNXTKNSECH-UHFFFAOYSA-N,3,1,0.641,84,884,417.469,4.675,5,0.402,0.78,1.0,0.7164861901171955,0.7048608731409773,0.7802069769035707,0.7878915084641217,0.7473613871564663
EOS-3-40577,Cc1nnc(-c2ncccc2-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)s1,ZWVOVROGQIBYPP-UHFFFAOYSA-N,3,1,0.372,14,81,419.901,4.257,5,0.433,0.65,1.0,0.2232797614968131,0.34405626756219587,0.20601740799122747,0.3632461791515318,0.28414990405044205
EOS-3-40578,Cc1nc(-c2ccnc(F)c2)c(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1C,YZNQPKISFANGAD-UHFFFAOYSA-N,3,1,0.317,98,882,466.484,3.497,6,0.366,0.64,1.0,0.15702316496470428,0.22309985607566307,0.20961551641422796,0.21095195668562813,0.20017262353505585
EOS-3-40579,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)s1,KYASPFNSPDGHHF-UHFFFAOYSA-N,3,1,0.424,2,142,454.878,3.78,5,0.369,0.64,1.0,0.6205966006442327,0.6128178329106984,0.41759475018847236,0.4518024809814269,0.5257029161812076
EOS-3-40580,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cnc2F)n1,PVOBBMCKUKDBHU-UHFFFAOYSA-N,3,1,0.427,58,132,473.859,3.324,5,0.341,0.69,0.992,0.8489479816325132,0.8810996504694675,0.5097148927421012,0.5479233774244398,0.6969214755671304
EOS-3-40582,CCc1nc(-c2nnc3cncc(OCc4ccnc(COC)n4)n23)ccc1-c1cncn1C,WAJPPSMFIMUGCD-UHFFFAOYSA-N,3,1,0.358,31,690,457.498,2.665,5,0.346,0.62,0.717,0.20976972106092798,0.08210540744294428,0.05726132547460763,0.02768830100747036,0.09420618874648758
EOS-3-40583,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1ccccc1C,QZFKLDOAWVTIIO-UHFFFAOYSA-N,3,1,0.468,72,132,473.924,4.235,5,0.346,0.76,0.999,0.5668220135700089,0.6459289973271195,0.3888098828044685,0.3469004866013296,0.4871153450757316
EOS-3-40584,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)cc2F)c1,PWKAXYJZPMPBLD-UHFFFAOYSA-N,3,1,0.524,73,980,470.295,4.612,5,0.373,0.72,1.0,0.9053354807758207,0.8171218559385923,0.8785381399492838,0.8976595161400863,0.8746637482009458
EOS-3-40585,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)cn4)n23)nn1,JVMZFZHWZRESNN-UHFFFAOYSA-N,3,1,0.494,27,52,455.425,4.303,5,0.39,0.61,1.0,0.4968987732163663,0.5365122335686382,0.872010143238983,0.7615567815776849,0.6667444829004181
EOS-3-40586,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)cnc1F,SMPQTFGPMDIAFG-UHFFFAOYSA-N,3,1,0.449,58,28,438.423,3.265,5,0.385,0.62,1.0,0.5481461174696731,0.6030515386196971,0.26992666712356933,0.25176478651223355,0.41822227743129325
EOS-3-40587,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ncn2)c1,RJLTUDFLGJXGRS-UHFFFAOYSA-N,3,1,0.426,18,194,454.878,3.514,5,0.384,0.6,0.933,0.6377047495031184,0.6408402439860188,0.28156911794942086,0.3888698512781852,0.48724599067918584
EOS-3-40588,Cc1ccncc1CCOc1cncc2nnc(-c3cc(-c4cc(F)cc(F)c4)c(=O)n(C)c3)n12,YQXBDWHFDPUAFU-UHFFFAOYSA-N,3,1,0.528,35,393,474.471,3.76,5,0.373,0.68,1.0,0.3853574121033514,0.20786786375162772,0.7403964772805154,0.7144215612363786,0.5120108285929682
EOS-3-40589,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)cc1,HMLAVBTYQQQLOF-UHFFFAOYSA-N,3,1,0.605,90,636,480.352,4.48,4,0.402,0.75,1.0,0.6039853334247138,0.48158111164416423,0.547272291138373,0.5579038448358578,0.5476856452607772
EOS-3-40590,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(Cl)c1,HCOVPZWWUHWBPT-UHFFFAOYSA-N,3,1,0.563,37,626,467.32,3.91,5,0.35,0.67,1.0,0.6124066205194983,0.6606983757110547,0.5992735247755465,0.6658470975258721,0.634556404632993
EOS-3-40591,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ncc(F)cn5)n[nH]4)n23)c(F)n1,BAGVCLPSYACYES-UHFFFAOYSA-N,3,1,0.424,65,65,424.375,1.605,5,0.436,0.57,1.0,0.4115465012679049,0.22812864094304708,0.12370639435268316,0.13165650058255088,0.22375950928654648
EOS-3-40592,Clc1nc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)ccc1-c1ccccn1,XHEPEBYVNOPBRJ-UHFFFAOYSA-N,3,1,0.457,18,814,465.304,3.967,5,0.347,0.66,0.888,0.6952487834966761,0.6801538619697074,0.29230347474470564,0.43286101021177437,0.5251417826057159
EOS-3-40593,CCc1nc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4Cl)n23)ccc1F,RZHJMMKTRDJOJH-UHFFFAOYSA-N,3,1,0.484,4,79,464.892,3.916,5,0.376,0.64,1.0,0.41155506819272153,0.6176838462065657,0.47158351038311286,0.4764752244534302,0.49432441230895763
EOS-3-40594,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,XMNUXRYKEGNEFD-UHFFFAOYSA-N,3,1,0.447,13,995,424.848,4.895,5,0.408,0.78,1.0,0.612415187444315,0.704869440065794,0.7779196079775204,0.8186296347063258,0.7284584675484888
EOS-3-40595,COc1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1cscn1,OIGQHDBCSJOXHU-UHFFFAOYSA-N,3,1,0.394,49,564,453.434,3.571,5,0.385,0.57,0.998,0.6678431910081557,0.5317832910698376,0.5436656157905558,0.4486155849496265,0.547976920704544
EOS-3-40596,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5c[nH]nn5)n4)n23)nc1,ZSTAFGQAPHTJFS-UHFFFAOYSA-N,3,1,0.361,6,826,452.442,1.741,6,0.396,0.54,0.693,0.20420978685491056,0.1768213282160236,0.08229387978891098,0.06683058049482558,0.13253889383866768
EOS-3-40597,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc(C)n2)cn1,FJCKDZFBXQNTMR-UHFFFAOYSA-N,3,1,0.506,75,530,442.458,3.416,5,0.369,0.58,1.0,0.7104379411966281,0.6313737920636009,0.36990267973408264,0.2845247070111713,0.49905978000137063
EOS-3-40598,FC(F)c1ccc(-c2nnc3cncc(-c4cnn(CC5(F)CCOC5)c4)n23)cn1,NGQMNNSENQAGCY-UHFFFAOYSA-N,3,1,0.345,68,455,415.379,3.116,5,0.498,0.62,0.971,0.13773045027756836,0.16426221643478855,0.457602289082311,0.5803834555547941,0.3349946028373655
EOS-3-40599,Cc1ccc(-c2nnc3cncc(OCc4scnc4-c4cc(F)c(Cl)cn4)n23)cc1,JNMOOZWRCMLCPD-UHFFFAOYSA-N,3,1,0.542,59,805,452.902,4.99,5,0.374,0.75,1.0,0.907083133438421,0.8287386059899938,0.652825371804537,0.6976560893701597,0.7715758001507779
EOS-3-40600,O=C(NC1CC1)c1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,MRDWFLNAVYWNHY-UHFFFAOYSA-N,3,1,0.442,63,9,404.861,3.323,5,0.551,0.87,1.0,0.34639503803714616,0.45086011925159347,0.22336543074497978,0.39496950174765266,0.353897522445343
EOS-3-40601,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1nc[nH]n1,DLZMRPYZYKNWRY-UHFFFAOYSA-N,3,1,0.408,49,954,449.862,2.65,5,0.372,0.62,0.883,0.5455931738743061,0.5228822561853197,0.10959666917963128,0.10465355356041395,0.3206814131999177
EOS-3-40603,Cc1nc(-c2ccn(C)n2)ccc1-c1nnc2cncc(OCCc3nccs3)n12,PWUMPQUADCXQDK-UHFFFAOYSA-N,3,1,0.59,31,579,418.486,2.973,5,0.418,0.65,1.0,0.3601278185182647,0.32021451579740934,0.04459084367075595,0.03140634637790419,0.18908488109108354
EOS-3-40604,Cc1nccc(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c1F,PBNGKZPLNDQXNO-UHFFFAOYSA-N,3,1,0.478,97,666,418.457,4.336,5,0.423,0.71,1.0,0.677352477554657,0.560088410664108,0.6055359468165308,0.5281337810979371,0.5927776540333082
EOS-3-40605,FC(F)c1ccc(-c2nnc3cncc(OCc4cncnc4-c4ccc(Cl)nc4)n23)cn1,YFRFSBOYHFELJP-UHFFFAOYSA-N,3,1,0.441,27,69,466.839,4.208,5,0.343,0.73,0.989,0.8887413474059351,0.8836954286889178,0.811947433349325,0.7691813446645193,0.8383913885271743
EOS-3-40606,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cnn2)nc1,QOOCTSTVCVIBGV-UHFFFAOYSA-N,3,1,0.5,58,778,448.849,3.452,5,0.364,0.58,1.0,0.8489565485573298,0.8493506270988965,0.5672417928860256,0.6197998766362827,0.7213372112946336
EOS-3-40607,Fc1cc(CCOc2cncc3nnc(-c4cnnc(-c5cccc(Cl)n5)c4)n23)ccn1,IRAIJLNPNBDHKH-UHFFFAOYSA-N,3,1,0.489,58,578,448.849,3.452,5,0.364,0.58,1.0,0.839849907477212,0.8210369405798095,0.5436741827153725,0.5894729627852786,0.6985084983894181
EOS-3-40608,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)nc1,WMSKATOPIVHNFQ-UHFFFAOYSA-N,3,1,0.449,87,349,415.392,2.194,5,0.411,0.65,1.0,0.6712014255362895,0.5939791652388459,0.24862929202933315,0.28453327393598793,0.44958578918511416
EOS-3-40609,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cccc(F)n5)nn4)n23)n(C)n1,VONOYOBDRMAHFM-UHFFFAOYSA-N,3,1,0.385,53,670,417.408,2.403,5,0.401,0.65,0.927,0.3714875608251662,0.33889897882256187,0.12936056473168392,0.11623603591254883,0.23899578507299019
EOS-3-40610,Clc1cccnc1-c1nccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)n1,BOTIEHDPABOWRN-UHFFFAOYSA-N,3,1,0.294,76,887,464.88,3.816,6,0.383,0.58,0.969,0.25071105475978345,0.3389075457473785,0.2555599342060174,0.35012165033239667,0.298825046261394
EOS-3-40611,Cn1cnc(Cl)c1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,QBLFYKXKNWCBFZ-UHFFFAOYSA-N,3,1,0.394,18,157,467.32,3.91,5,0.35,0.7,0.999,0.47965355356041395,0.4597611541361113,0.4102100609965047,0.514880748406552,0.46612637927489553
EOS-3-40612,COc1ncccc1-c1nc(C)n(C)c1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,LENXMKNIPMOEIJ-UHFFFAOYSA-N,3,1,0.333,50,243,448.437,3.903,5,0.402,0.61,0.972,0.3692944280720992,0.40133472688643684,0.3814423274621342,0.27564080597628676,0.3569280720992392
EOS-3-40613,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5c(Cl)cccc5Cl)ns4)n23)cc1,KQTSOMJHXZRPJR-UHFFFAOYSA-N,3,1,0.375,96,837,482.356,4.643,5,0.401,0.79,1.0,0.18463436364882463,0.28431910081557127,0.3962031389212528,0.5113768761565348,0.3441333698855459
EOS-3-40614,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cn4)n23)cn1,FITBDRRSVJKABI-UHFFFAOYSA-N,3,1,0.337,32,179,464.92,4.969,6,0.366,0.77,1.0,0.09316530738126243,0.23303748886299774,0.6586680145295045,0.7144301281611952,0.42482523473374
EOS-3-40615,c1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(-c6cncnc6)cnn5)n34)c2)nc1,YUCYIPRFJJKLHH-UHFFFAOYSA-N,3,1,0.438,40,868,460.461,3.074,6,0.365,0.55,1.0,0.3345212802412446,0.32022308272222605,0.31037111918305804,0.2756493729011034,0.310191213761908
EOS-3-40616,CCn1cncc1-c1cccc(-c2nnc3cncc(COc4ccc(Cl)c(C)c4)n23)c1,GOOOPFWCSNHPIY-UHFFFAOYSA-N,3,1,0.4,14,18,444.926,5.216,5,0.359,0.79,1.0,0.4115636351175382,0.42881742169830717,0.7590895072304845,0.7168288671098623,0.579074857789048
EOS-3-40617,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cc5)n34)cn2)nn1,NJFYHRGMPBDQCG-UHFFFAOYSA-N,3,1,0.453,81,870,461.489,4.145,6,0.377,0.64,1.0,0.3762507710232335,0.23814337605373176,0.32887567678706053,0.2608799945171681,0.30103745459529846
EOS-3-40618,CC(c1cc(C#N)cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)c1)N(C)C,CMEDUROKRMFCGL-UHFFFAOYSA-N,3,1,0.356,82,648,464.508,4.549,5,0.376,0.66,1.0,0.35078130354328013,0.3487509423617298,0.939217668425742,0.8783153999040504,0.6292663285587006
EOS-3-40619,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)c(F)n1,PGNXZDPQHNQJJA-UHFFFAOYSA-N,3,1,0.533,65,262,422.355,2.531,5,0.38,0.66,1.0,0.7257898704680967,0.6510177506682201,0.3778784867384004,0.36325474607634844,0.5294852134877664
EOS-3-40621,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cn1,QITKKHMLYVWHFD-UHFFFAOYSA-N,3,1,0.381,7,182,447.846,2.158,5,0.412,0.54,0.999,0.3899664176547187,0.4198906860393393,0.3032777054348571,0.29955966006442325,0.3531736172983346
EOS-3-40622,CCc1nc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1cnc(C)c(C)n1,IVJNPSVKVAUWMM-UHFFFAOYSA-N,3,1,0.483,31,690,443.536,4.463,5,0.382,0.64,0.94,0.3217394284147762,0.2435833733123158,0.08730553080666165,0.05600198752655747,0.17715758001507778
EOS-3-40623,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn(C)cn6)cc5F)n34)cc2)n1,FKQBMKPAMZQNKN-UHFFFAOYSA-N,3,1,0.317,9,98,462.492,4.763,6,0.375,0.69,1.0,0.2936741827153725,0.3585172366527311,0.7144386950860119,0.6542817490233706,0.5052279658693715
EOS-3-40624,Cc1ncc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)nc5)c4)n23)cn1,NFMJFELNJHGUMU-UHFFFAOYSA-N,3,1,0.482,51,441,411.429,2.629,5,0.43,0.72,1.0,0.49437153039544923,0.27904187512850387,0.20240216571859365,0.11143855801521486,0.2718135323144404
EOS-3-40625,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5cscn5)cn4)n23)c(F)c1F,VVRHOPOLTUPHDT-UHFFFAOYSA-N,3,1,0.413,46,223,441.398,3.701,5,0.384,0.61,1.0,0.7438061133575492,0.6559008978137207,0.7825114796792544,0.7382890137756151,0.7301268761565349
EOS-3-40626,Cc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cncn1C,XZYSGTMKZSZJNS-UHFFFAOYSA-N,3,1,0.418,31,954,446.902,3.565,5,0.368,0.61,0.984,0.4995973545336166,0.4907905558220821,0.269935234048386,0.26386128435336853,0.3810461071893633
EOS-3-40627,Clc1ccnc(COc2cncc3nnc(-c4cc(-c5cncnc5)cnn4)n23)n1,TUVQNADFPLFXLJ-UHFFFAOYSA-N,3,1,0.347,51,435,418.808,2.061,5,0.391,0.6,0.999,0.39434411623603594,0.4774689877321637,0.15649201562607087,0.204997943938044,0.30832576588307864
EOS-3-40628,Fc1cc(F)c(F)c(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cn4)n23)n1,UCJZULGIUMJJJX-UHFFFAOYSA-N,3,1,0.44,18,529,455.425,3.744,5,0.36,0.64,1.0,0.6649904050442054,0.6703704338290727,0.6259851963539168,0.6253255431430333,0.646667894592557
EOS-3-40629,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccnc(-c5nnnn5C)c4)n23)c(F)c1,AAZMWKSWJHVKJP-UHFFFAOYSA-N,3,1,0.442,67,765,470.432,2.104,6,0.368,0.62,1.0,0.4254848879446234,0.5600969775889246,0.0942361729833459,0.11144712494003152,0.29781629086423134
EOS-3-40631,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1cc(F)ccn1,AYHKIIMBWCOIRZ-UHFFFAOYSA-N,3,1,0.423,44,690,459.46,4.371,5,0.372,0.66,0.942,0.577933315057227,0.5644061407717086,0.5026214789939003,0.4581163045713111,0.5257693098485368
EOS-3-40632,CCc1nc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1nccs1,XHEOWFQXSLTORY-UHFFFAOYSA-N,3,1,0.484,49,690,447.499,4.028,5,0.372,0.62,0.376,0.6435559591529024,0.6363854430813515,0.15650058255088753,0.16104105270372146,0.3993707593722157
EOS-3-40633,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5csnn5)c4)n23)cn1,JQSYOJYPBSYTLW-UHFFFAOYSA-N,3,1,0.441,80,843,468.506,3.079,6,0.363,0.64,1.0,0.3217479953395929,0.1939551778493592,0.17585326571174012,0.14550921801110273,0.20926641422794873
EOS-3-40634,Cn1cnnc1-c1nc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)no1,JJVCNRXWQRZXDS-UHFFFAOYSA-N,3,1,0.217,99,841,435.458,2.217,6,0.405,0.53,0.024,0.032657117401137685,0.012293537111918306,0.003640943047083819,0.0033068329792337744,0.012974607634843396
EOS-3-40635,Cc1cc(-c2cncnn2)c(F)cc1-c1cncc2nnc(-c3ccc(C(F)F)cc3C)n12,KEGVVDVCNLWRRW-UHFFFAOYSA-N,3,1,0.287,96,315,447.424,5.004,5,0.386,0.68,0.995,0.33686861764101156,0.4815896785689809,0.9485727503255431,0.9256048248920568,0.6731589678568981
EOS-3-40636,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)n5C)c(F)c4)n23)c1F,ZRRSOCVBLXYZLO-UHFFFAOYSA-N,3,1,0.483,16,606,451.412,3.892,5,0.403,0.58,1.0,0.7817233225961209,0.767999109039819,0.8017099581934068,0.7382975807004317,0.7724324926324446
EOS-3-40637,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)[nH]c1F,XOOCJSMFJGGVJZ-UHFFFAOYSA-N,3,1,0.386,31,599,456.894,3.755,5,0.414,0.63,0.256,0.6494671372764033,0.5689551778493592,0.25556850113083407,0.30266088684805703,0.44416292577616345
EOS-3-40638,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cc(-c5ccccn5)ccc4F)n23)cc1,QEMQDXMPQOGQJR-UHFFFAOYSA-N,3,1,0.333,69,192,463.451,5.256,6,0.355,0.8,1.0,0.2989342745528065,0.4420361866904256,0.8664587759577822,0.897668083064903,0.6262743300664794
EOS-3-40639,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)c(F)c1,JAMPWKIYJPCFCP-UHFFFAOYSA-N,3,1,0.323,30,668,451.44,4.984,6,0.378,0.68,0.992,0.024355767253786582,0.28951065725447195,0.8692430265231992,0.8921338496333356,0.5188108251661984
EOS-3-40640,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,ARRWQGOZOYCYTI-UHFFFAOYSA-N,3,1,0.398,65,65,416.38,1.589,5,0.402,0.62,1.0,0.5954612432321293,0.5136642450825851,0.07795901583167707,0.09055239531217874,0.31940922486464257
EOS-3-40641,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)on2)nn1,FVCBBAWCKJWFKB-UHFFFAOYSA-N,3,1,0.253,99,813,425.416,2.037,6,0.416,0.55,1.0,0.024364334178603248,0.021888492906586253,0.07364985264889315,0.0634980467411418,0.045850181618806114
EOS-3-40642,Fc1ccccc1-c1ncc(COc2cncc3nnc(-c4ccccc4)n23)cc1F,WPNIFUCNUCZGNZ-UHFFFAOYSA-N,3,1,0.577,57,709,415.403,4.711,5,0.416,0.78,1.0,0.9347714344458913,0.8015043519978069,0.8859999314646014,0.8907288739634021,0.8782511479679254
EOS-3-40643,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c[nH]c2=N)cn1,NUVMZRDNWCDUKE-UHFFFAOYSA-N,3,1,0.444,72,132,459.901,3.034,5,0.399,0.64,1.0,0.46708587485436226,0.47285141525597973,0.31423480227537526,0.28727468987732163,0.3853616955657597
EOS-3-40644,Cc1cc(CCOc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)ccn1,LSOBSWAUNHONAS-UHFFFAOYSA-N,3,1,0.5,65,349,412.457,2.912,5,0.423,0.79,1.0,0.3943526831608526,0.16427078335960524,0.3699112466588993,0.25177335343705026,0.29507701665410185
EOS-3-40645,Fc1cnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)n2)nc1,SOPIXVSLCKNLAP-UHFFFAOYSA-N,3,1,0.309,98,63,449.413,2.696,6,0.395,0.5,0.997,0.3092659858817079,0.3585258035775478,0.17586183263655678,0.24570797066684943,0.27234039819066547
EOS-3-40646,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cccc(-c4cscn4)c3)n12,JILINEFRQKXMJI-UHFFFAOYSA-N,3,1,0.5,11,490,452.902,4.724,5,0.371,0.68,1.0,0.7583527516962512,0.7763861284353368,0.6720581180179562,0.7248475087382633,0.7329111267219519
EOS-3-40647,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c(F)c1,WJZPZNWKTWFQEI-UHFFFAOYSA-N,3,1,0.468,20,279,464.892,3.879,5,0.36,0.64,1.0,0.692053320540059,0.680162428894524,0.369919813583716,0.3979936262079364,0.5350322973065589
EOS-3-40648,COc1ncc(-c2cncc3nnc(-c4ccc(-c5ccnc(C)c5)c(F)c4)n23)cn1,HKQULCNAVSRQMJ-UHFFFAOYSA-N,3,1,0.325,82,478,413.416,3.766,5,0.443,0.7,1.0,0.4796621204852306,0.47747755465698033,0.6413199917757522,0.5379343430882051,0.5340985025015421
EOS-3-40649,c1nc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)c2)no1,PBCZUGMPKAOSOJ-UHFFFAOYSA-N,3,1,0.319,42,106,424.449,4.027,6,0.417,0.62,1.0,0.22624391748338016,0.16817730107600576,0.38145089438695085,0.3949780686724693,0.29271254540470154
EOS-3-40650,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)s1,SQTQXVLRANBHAS-UHFFFAOYSA-N,3,1,0.341,10,541,442.443,3.296,6,0.441,0.52,0.768,0.13773901720238504,0.3679322870262491,0.1503923651566034,0.2372267150983483,0.22332259612089644
EOS-3-40651,Clc1cccc(-c2ncccc2-c2cncc3nnc(-c4cnc(-c5cccnc5)cn4)n23)c1,LTNIZTHNFILTFC-UHFFFAOYSA-N,3,1,0.35,32,72,462.904,5.026,6,0.362,0.71,0.998,0.19867555342334314,0.29969673086148996,0.602460420807347,0.7088444931807278,0.45241929956822696
EOS-3-40652,N#Cc1cc(Cl)c(COc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)s1,OUFSQECPOITDRE-UHFFFAOYSA-N,3,1,0.43,46,726,446.883,3.809,5,0.4,0.62,1.0,0.5779418819820438,0.5736669864985265,0.4284918785552738,0.4736224384894798,0.5134307963813309
EOS-3-40653,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4Cl)n23)cc1,PJZWSFHPOQMQIR-UHFFFAOYSA-N,3,1,0.37,62,341,485.91,4.6,6,0.39,0.88,1.0,0.31190459872524157,0.3202316496470427,0.5132787334658351,0.6281354944829004,0.4433876190802549
EOS-3-40654,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)n3)n12,FNIJPQNYZPPYFO-UHFFFAOYSA-N,3,1,0.512,20,279,453.89,4.119,5,0.382,0.64,1.0,0.8014872181481736,0.8837039956137345,0.5235247755465698,0.5925741895689124,0.7003225447193476
EOS-3-40655,Cc1nn(C)cc1-c1cc(F)cc(-c2nnc3cncc(CCc4ccc(F)cc4F)n23)c1,FJKGUDKNAZJNDF-UHFFFAOYSA-N,3,1,0.374,14,358,448.452,4.703,5,0.391,0.68,1.0,0.26650846412171886,0.36794085395106574,0.8824703584401343,0.8769703927078336,0.5984725173051881
EOS-3-40656,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)c(F)n2)ncn1,AHCUHEHBPBBGQK-UHFFFAOYSA-N,3,1,0.444,73,980,466.839,3.857,5,0.36,0.64,1.0,0.8577804811184977,0.8210455075046261,0.6966109245425263,0.6920875882393256,0.766881125351244
EOS-3-40657,OCn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)n1,XJWSZDYGGGTOHT-UHFFFAOYSA-N,3,1,0.283,39,176,467.428,2.053,6,0.4,0.57,0.31,0.19309848536769242,0.24854362278116648,0.06938352409019258,0.15038379823178671,0.16535235761770956
EOS-3-40658,Cc1nnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5)n34)c2)s1,VGJWWCPZQUQFBV-UHFFFAOYSA-N,3,1,0.612,13,15,438.875,5.203,5,0.383,0.77,1.0,0.7899561373449386,0.7805667877458707,0.7068483996984443,0.7563652251387842,0.7584341374820095
EOS-3-40659,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cn1,BNBYKJHKUVKRNJ-UHFFFAOYSA-N,3,1,0.533,65,578,416.42,2.742,5,0.393,0.68,1.0,0.7556884380782675,0.6654787197587554,0.33979850592831196,0.2905215543828387,0.5128718045370434
EOS-3-40660,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccsc5)ns4)n23)nc1,MYRRDDWDMFGNDK-UHFFFAOYSA-N,3,1,0.287,86,967,442.533,4.439,6,0.401,0.63,0.999,0.056550270714824206,0.08211397436776095,0.19553149201562606,0.21943321225412926,0.13840723733808513
EOS-3-40661,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1nc(C)n[nH]1,QZTCYJQAKBMABK-UHFFFAOYSA-N,3,1,0.369,31,690,445.462,3.264,5,0.423,0.58,0.999,0.4577136591049277,0.419899252964156,0.15040093208142005,0.10260605852923035,0.28265497566993353
EOS-3-40662,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5Cl)n(C)n4)n23)c1F,CZCUZWZQUNVQIF-UHFFFAOYSA-N,3,1,0.441,95,965,467.867,4.406,5,0.381,0.69,1.0,0.4531474881776438,0.5136728120074018,0.797349393461723,0.8057792474813241,0.6424872352820231
EOS-3-40664,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5nc(=N)nc(C)[nH]5)c4)n23)c(C)n1,JFFNTOIQNNADLA-UHFFFAOYSA-N,3,1,0.463,89,506,439.483,2.955,5,0.43,0.67,1.0,0.42299191282297305,0.2843276677403879,0.1886608183126585,0.08857343567952848,0.24613845863888698
EOS-3-40665,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c2)o1,GINUSHVJKPCIRH-UHFFFAOYSA-N,3,1,0.561,15,655,416.416,3.91,5,0.388,0.74,1.0,0.8443561099307793,0.6607069426358714,0.6024689877321636,0.5113854430813515,0.6547293708450413
EOS-3-40666,CCc1ncnc(-c2ncc(Cl)cn2)c1-c1nnc2cncc(-c3nnnn3C)n12,XXUMMXGTKBEAAF-UHFFFAOYSA-N,3,1,0.25,50,489,420.828,1.445,5,0.419,0.58,1.0,0.09801418682749641,0.15262833253375369,0.002955589061750394,0.004763210198067302,0.06459032965526695
EOS-3-40667,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)[nH]1,BNPVOBGWGOULAD-UHFFFAOYSA-N,3,1,0.485,65,981,460.889,2.429,5,0.393,0.68,1.0,0.6740113768761565,0.6264820779932835,0.16607840449592215,0.15833390446165443,0.40622644095675414
EOS-3-40668,FC(F)Oc1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)cc1,IHOCLXHKTOZGPL-UHFFFAOYSA-N,3,1,0.536,68,542,408.29,3.869,4,0.477,0.84,1.0,0.6008755397162634,0.7418699883489822,0.9928466177780824,0.9842368583373312,0.8299572510451647
EOS-3-40669,Cc1cnc(-c2nnc3cncc(OCc4cncc(-c5nc(C(F)(F)F)cs5)c4)n23)cn1,BMOVIAQDURNNMG-UHFFFAOYSA-N,3,1,0.446,7,62,470.44,4.006,5,0.38,0.67,1.0,0.6039939003495305,0.5136813789322184,0.735401960112398,0.5281423480227537,0.5953048968542252
EOS-3-40670,COc1ccc(-c2nnc3cncc(OCc4csc(-c5cn(C)nn5)c4)n23)cn1,RFHKUKWZAZTMEL-UHFFFAOYSA-N,3,1,0.444,92,134,420.458,2.631,5,0.413,0.62,1.0,0.2612055376602015,0.20310465355356042,0.15347645809060378,0.07984373929134397,0.17440759714892745
EOS-3-40671,COc1cc(-c2nnc3cncc(OCc4cc(F)nc(F)c4F)n23)ccc1-c1ncccn1,WZVUQGRFOYUKCN-UHFFFAOYSA-N,3,1,0.462,16,300,465.395,3.648,5,0.351,0.64,1.0,0.9464310191213762,0.8890326228497019,0.8098399698444246,0.6890805976286752,0.8335960523610444
EOS-3-40672,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(F)cc5ccn(CCO)c45)n23)nc1,NNUGEKLGZVACQJ-UHFFFAOYSA-N,3,1,0.336,63,505,471.496,2.755,6,0.378,0.66,0.997,0.239916729490782,0.30470838187924065,0.20241073264341033,0.2845418408608046,0.25789442121855943
EOS-3-40673,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(Cl)n2)nc1,WIOAJIBEPKAKSU-UHFFFAOYSA-N,3,1,0.506,73,263,466.839,3.591,5,0.35,0.63,1.0,0.9005637036529367,0.9271640052086902,0.5635837159893085,0.6167243506270988,0.7520089438695087
EOS-3-40674,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)c(F)c3)n12,XDDKRURKNWCZOP-UHFFFAOYSA-N,3,1,0.633,59,294,462.872,4.628,5,0.363,0.68,1.0,0.9101072578987047,0.867264066890549,0.756836406003701,0.7168374340346789,0.8127612912069083
EOS-3-40676,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)ccn1,LONSEPJUIKRSSJ-UHFFFAOYSA-N,3,1,0.522,75,329,464.892,3.704,5,0.353,0.65,0.999,0.5583921595504078,0.527414159413337,0.4682081420053458,0.4549122746898773,0.5022316839147419
EOS-3-40677,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5c[nH]nn5)cc4F)n23)cc1,NXCZKCPPVGRXKT-UHFFFAOYSA-N,3,1,0.392,62,740,470.512,3.835,5,0.404,0.67,1.0,0.3066016722637242,0.24855218970598314,0.5832362415187444,0.36637310670961554,0.37619080254951687
EOS-3-40678,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6c[nH]nn6)n5)n34)c2)cn1,OEHNHEYHBHDLKR-UHFFFAOYSA-N,3,1,0.414,6,549,451.454,2.346,6,0.404,0.56,0.993,0.19868412034815983,0.1565605510246042,0.22337399766979646,0.1715955040778562,0.18755354328010418
EOS-3-40679,CCOC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5F)cnc4C)n23)nc1,FISJFABQAOEADE-UHFFFAOYSA-N,3,1,0.27,82,432,456.441,3.33,5,0.289,0.74,0.177,0.2964155986567062,0.20787643067644437,0.3362003975053115,0.22845418408608045,0.2672366527311356
EOS-3-40680,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nccs1,OIADPBOJRITXPW-UHFFFAOYSA-N,3,1,0.489,97,383,450.911,4.551,5,0.375,0.72,1.0,0.822390514700843,0.6998834898224933,0.6144112809265986,0.5415410184360222,0.6695565759714892
EOS-3-40681,COc1cc(-c2nnc3cncc(OCc4sncc4C#N)n23)ccc1-c1ncc(F)cn1,QRQIAMMBDOPVOE-UHFFFAOYSA-N,3,1,0.483,16,375,460.454,3.303,5,0.375,0.65,1.0,0.787266122952505,0.7325234733739977,0.40710026728805426,0.337374066205195,0.566065982454938
EOS-3-40682,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)nn2)n(C)c1Cl,ITHOLFDUIQIGJZ-UHFFFAOYSA-N,3,1,0.465,53,670,468.308,3.571,5,0.385,0.62,0.702,0.37625933794805017,0.49569940374203275,0.15348502501542047,0.254823178671784,0.32006673634432187
EOS-3-40683,CCc1ncc(-c2ncnn2C)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,UOMRPMDQDBGLNW-UHFFFAOYSA-N,3,1,0.381,31,45,447.89,3.172,5,0.39,0.57,0.959,0.40066650675073673,0.4508686861764101,0.13217051607155095,0.1455177849359194,0.2823058734836543
EOS-3-40684,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5Cl)nc4)n23)c(F)c1,PXLTUJBYQGNHIM-UHFFFAOYSA-N,3,1,0.566,57,146,449.848,5.364,5,0.361,0.81,1.0,0.9552463847577274,0.9592043040230279,0.9556318963744774,0.9669745048317456,0.9592642724967446
EOS-3-40686,Cc1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1-c1ccn(C)n1,FHKWQZBODPXWCT-UHFFFAOYSA-N,3,1,0.585,43,909,414.444,4.218,5,0.431,0.75,1.0,0.652491261736687,0.6703790007538893,0.7754694674799534,0.7088530601055445,0.7017981975190185
EOS-3-40687,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccn2)cn1,HMQNNKDEEPBJQT-UHFFFAOYSA-N,3,1,0.471,75,329,413.445,2.481,5,0.4,0.71,1.0,0.29368274964018914,0.137559111781235,0.06712185593859228,0.04792337742443972,0.13657177369611403
EOS-3-40688,Fc1cncc(Cn2ncnc2-c2cncc3nnc(-c4cncnc4-c4cc(F)ccn4)n23)c1,MYNJTRUIRWIOTC-UHFFFAOYSA-N,3,1,0.254,86,892,469.419,2.623,6,0.374,0.57,0.989,0.17316325131930643,0.18102768830100746,0.21642622164347886,0.33738263313001166,0.22699994859845107
EOS-3-40689,Fc1cc(COc2cncc3nnc(-c4ncc(OCc5ccccc5)cn4)n23)c(F)cn1,DLUCMCVQRGRMRU-UHFFFAOYSA-N,3,1,0.455,97,665,447.405,3.413,5,0.35,0.59,1.0,0.8489651154821465,0.6080546227126311,0.6615293674182715,0.6198084435610993,0.6845893872935371
EOS-3-40690,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccncc6)ns5)n34)cn2)nc1,DHDKTWWHOZNTHO-UHFFFAOYSA-N,3,1,0.455,28,297,464.514,4.346,6,0.358,0.72,1.0,0.40476149681310397,0.4153930505105887,0.32524330066479334,0.3060790898499075,0.3628692344595984
EOS-3-40691,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)o1,PZFPFHOJPALBKM-UHFFFAOYSA-N,3,1,0.43,46,160,437.822,3.916,5,0.381,0.6,1.0,0.737723596737715,0.5790727160578438,0.6472483037488863,0.5985025015420464,0.6406367795216229
EOS-3-40692,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(C)nn4CCc4cccnc4)n23)cc1,PVEJBCPADVAGDD-UHFFFAOYSA-N,3,1,0.286,98,882,477.536,3.274,6,0.344,0.72,1.0,0.0482489205674731,0.04160098690973888,0.01422966212048523,0.017502227400452333,0.030395449249537385
EOS-3-40693,Cn1cc(C(F)F)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nc1,MIHRWGXYSWWWAN-UHFFFAOYSA-N,3,1,0.313,38,42,471.431,4.241,6,0.367,0.68,1.0,0.26121410458501815,0.2637070797066685,0.5771023233500103,0.4886573915427318,0.39767022479610725
EOS-3-40694,COc1nccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)n2C)n1,CPFDFTQWUCPYKF-UHFFFAOYSA-N,3,1,0.329,8,754,463.465,2.509,6,0.375,0.58,1.0,0.1731718182441231,0.07843876362141046,0.04164382153382222,0.03902234253992187,0.08306918648481941
EOS-3-40695,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ncn2)cn1,ODTZDXSFDAGENW-UHFFFAOYSA-N,3,1,0.425,65,113,417.458,2.425,5,0.41,0.67,0.998,0.46709444177917897,0.26371564663148517,0.06315536974847509,0.04664690562675622,0.21015309094647386
EOS-3-40696,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)s1,SFXMVOYLTPBLBI-UHFFFAOYSA-N,3,1,0.554,4,439,453.89,4.385,5,0.39,0.64,1.0,0.5481546843944898,0.6313823589884175,0.5705486258652595,0.5739582619422932,0.581010982797615
EOS-3-40697,Cc1sc(-c2ccsc2)nc1-c1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,NQHVGPBRBJTFLF-UHFFFAOYSA-N,3,1,0.284,86,812,456.56,4.747,6,0.381,0.68,0.722,0.08832499485984512,0.12003118360633266,0.09208587485436227,0.09848536769241313,0.09973185525323829
EOS-3-40698,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccc(F)nc5)n4)n23)cn1,BPEHLKAWAXNRRZ-UHFFFAOYSA-N,3,1,0.477,55,390,415.392,2.46,5,0.399,0.67,1.0,0.5779504489068604,0.612826399835515,0.24149304365704888,0.22243163593996298,0.41367538208484683
EOS-3-40699,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)cn1,XYUUJUIHWKEHKS-UHFFFAOYSA-N,3,1,0.518,4,390,416.832,3.271,5,0.402,0.65,1.0,0.5377458707422383,0.7763946953601535,0.4748475087382633,0.4886659584675485,0.5694135083270508
EOS-3-40700,Fc1ncccc1COc1cncc2nnc(-c3ccc(Oc4ccccc4)nc3)n12,PHSKYTSLYKXJLO-UHFFFAOYSA-N,3,1,0.489,1,881,414.4,4.092,5,0.387,0.82,1.0,0.8374426016037283,0.7418785552737989,0.6912737303817422,0.6225327256527997,0.7232819032280173
EOS-3-40701,OCc1ccc(COc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)nc1,NREJBNZRYGQQHM-UHFFFAOYSA-N,3,1,0.541,75,183,411.425,2.715,5,0.454,0.78,1.0,0.38309574395175106,0.3679494208758824,0.5061681858680008,0.41054417106435476,0.4169393804399973
EOS-3-40702,Fc1cc(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)ncc1Cl,ICRNOJJSXJFVER-UHFFFAOYSA-N,3,1,0.5,34,712,457.853,4.215,5,0.39,0.64,1.0,0.5456017407991227,0.6947947364813927,0.817438832156809,0.8478342814063464,0.7264173977109177
EOS-3-40703,Fc1ncncc1-c1cccc(-c2nnc3cncc(OCCc4cccs4)n23)c1,JVVLRWSRLYWQFL-UHFFFAOYSA-N,3,1,0.605,15,796,418.457,4.07,5,0.387,0.71,1.0,0.902259954766637,0.8459666917963128,0.5927712288396957,0.5769481187033103,0.7294864985264888
EOS-3-40704,FCc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4-c4ccccn4)n23)cn1,LVKUVOMFCNKJMV-UHFFFAOYSA-N,3,1,0.462,55,879,447.861,4.345,5,0.382,0.64,0.993,0.792860324857789,0.784918785552738,0.65009252278802,0.6630885477349051,0.722740045233363
EOS-3-40705,COc1ccc(-c2nnc3cncc(CCc4nncs4)n23)cc1-c1cscn1,OMMLQLYMCWHOHL-UHFFFAOYSA-N,3,1,0.446,14,886,421.511,3.56,5,0.414,0.62,1.0,0.24516825440339934,0.1077290795695977,0.07796758275649372,0.08321054074429443,0.1285188643684463
EOS-3-40706,N#CCc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)cc4F)n23)cn1,CCTAMYIGNDYOEH-UHFFFAOYSA-N,3,1,0.366,83,405,440.869,5.379,5,0.375,0.79,1.0,0.4436382016311425,0.6128349667603317,0.95040607223631,0.9665033239668289,0.7433456411486532
EOS-3-40707,Fc1cc(-c2ncc(-c3nnc4cncc(-c5cccc(-n6cc(Cl)nn6)n5)n34)cn2)ccn1,BMMKFQDCUDREMZ-UHFFFAOYSA-N,3,1,0.306,86,989,471.847,3.079,6,0.356,0.63,1.0,0.009449318072784593,0.13385820026043452,0.2555770680556507,0.3404752929888287,0.18483996984442463
EOS-3-40709,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)ncn5)ncc4F)n23)cn1,JTWNMBBHEPFCDP-UHFFFAOYSA-N,3,1,0.417,55,283,477.847,2.509,5,0.364,0.66,0.998,0.6740199438009732,0.5365208004934549,0.3814594613117675,0.34690905352614626,0.48472731478308545
EOS-3-40710,Fc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3F)n12,WPJVYYUGTFILEK-UHFFFAOYSA-N,3,1,0.355,3,923,459.441,4.91,6,0.37,0.7,1.0,0.3217565622644096,0.4333921595504078,0.8034918785552738,0.8167020766225755,0.5938356692481667
EOS-3-40711,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)c(F)n4)n23)cc1,SUXXCAMLDZJOKC-UHFFFAOYSA-N,3,1,0.394,52,376,482.523,4.019,6,0.359,0.77,0.998,0.07702522102666028,0.09159756013981221,0.0055942019052840795,0.034593242409704614,0.052202556370365305
EOS-3-40712,CCCn1cncc1COc1cncc2nnc(-c3ccnc(-c4ccnc(F)c4)c3)n12,FCBKAWOFBSSKKA-UHFFFAOYSA-N,3,1,0.427,75,43,430.447,3.573,5,0.364,0.65,1.0,0.33687718456582827,0.2583784524707011,0.31804708381879243,0.2786649304365705,0.2979919128229731
EOS-3-40713,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1ccc(C)nc1,NXJRBHAZAYHZNB-UHFFFAOYSA-N,3,1,0.5,97,717,457.925,4.747,5,0.34,0.76,1.0,0.537754437667055,0.4861301487218148,0.5026300459187171,0.44862415187444316,0.4937846960455075
EOS-3-40714,Clc1nnc(-c2ccc(-c3cncc4nnc(-c5scnc5-c5ccccn5)n34)nc2)o1,JUASRSULAKEVLU-UHFFFAOYSA-N,3,1,0.312,76,935,459.882,4.075,6,0.383,0.64,1.0,0.22625248440819684,0.3248063874991433,0.11224384894798163,0.18265540401617436,0.21148953121787406
EOS-3-40715,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5csnn5)ccc4Cl)n23)cc1,LSFRNUWLPJSSPK-UHFFFAOYSA-N,3,1,0.632,43,372,455.33,5.196,5,0.363,0.81,1.0,0.7319409224864643,0.8890411897745185,0.8560670961551642,0.9094647385374546,0.8466284867384004
EOS-3-40716,Cn1cncc1-c1cc(CF)nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,ZYWVFSZKADZHIL-UHFFFAOYSA-N,3,1,0.404,31,211,464.892,3.726,5,0.362,0.6,0.999,0.5095606880954012,0.41990781988897263,0.47159207730792957,0.467479953395929,0.46713513467205814
EOS-3-40717,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(Cl)cn2)nc1,SSZQUTQCFHWLMP-UHFFFAOYSA-N,3,1,0.535,73,559,465.851,4.196,5,0.371,0.61,1.0,0.8668185868000823,0.9010605852923035,0.7973579603865396,0.8264683709135768,0.8479263758481256
EOS-3-40718,Cc1nc(C)c(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)s1,DZRCNFFRMREQQD-UHFFFAOYSA-N,3,1,0.414,51,48,417.458,2.691,5,0.425,0.63,1.0,0.23148687547118085,0.14126859022685218,0.020397847988486054,0.01251627715715167,0.10141739771091768
EOS-3-40719,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)nc1,FFSVJFVRIOKRKU-UHFFFAOYSA-N,3,1,0.305,76,272,438.476,4.335,6,0.4,0.62,0.814,0.13501473511068468,0.1642793502844219,0.20602597491604413,0.21408745116852854,0.17985187786991982
EOS-3-40720,Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)c(C(F)F)c5)c4)n23)cn1,ZFLRXLXKEVNWGM-UHFFFAOYSA-N,3,1,0.473,27,343,463.423,4.607,5,0.363,0.71,1.0,0.6981529710095264,0.7464190254266329,0.8965715166883695,0.8364831060242616,0.7944066547871976
EOS-3-40721,Fc1cc(-c2cnc(-c3nnc4cncc(-c5cnn(-c6ccccc6F)n5)n34)cn2)ccn1,FRMVDLVMZDORRS-UHFFFAOYSA-N,3,1,0.284,10,72,454.404,3.169,6,0.374,0.54,0.903,0.020166541018436023,0.15656911794942088,0.407108834212871,0.4947484750873826,0.26964824206702764
EOS-3-40722,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cncc(-c4cccnn4)c3)n12,FKKYWLZFQLXOKX-UHFFFAOYSA-N,3,1,0.447,27,875,450.384,3.694,5,0.361,0.59,1.0,0.8014957850729902,0.7849273524775546,0.8035004454800905,0.719647385374546,0.7773927421012954
EOS-3-40723,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)cc(F)n2)cn1,WMZAJBLZLLSPMO-UHFFFAOYSA-N,3,1,0.484,65,265,464.411,3.386,5,0.352,0.6,1.0,0.8774158727983004,0.8584915358782811,0.7092214378726612,0.6542903159481872,0.7748547906243575
EOS-3-40724,c1ccc(-c2cncnc2-c2nnc3cncc(-c4nnn(-c5cccs5)n4)n23)cc1,CBQKOAPUPGMCGS-UHFFFAOYSA-N,3,1,0.253,10,342,424.453,2.953,6,0.424,0.58,0.563,0.0395192241792886,0.04160955383455555,0.036041052703721474,0.0815656911794942,0.04968388047426496
EOS-3-40725,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,OSUIXZKSCLQQEU-UHFFFAOYSA-N,3,1,0.5,65,858,444.886,3.622,5,0.366,0.6,1.0,0.7196902199986293,0.7592008772531013,0.4542012199300939,0.42972551572887396,0.5907044582276746
EOS-3-40726,c1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)s2)c1,HRNLWZCPFYDOPD-UHFFFAOYSA-N,3,1,0.458,40,117,453.491,3.674,6,0.406,0.61,1.0,0.45315605510246043,0.4728599821807964,0.202419299568227,0.19888972654375986,0.33183126584881095
EOS-3-40727,CCn1nc(C)nc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)n1,FPKZWYJELZNNIA-UHFFFAOYSA-N,3,1,0.297,76,114,461.493,3.292,6,0.38,0.59,0.919,0.028964772805153863,0.010545884449318072,0.012010828592968268,0.01309882804468508,0.01615507847303132
EOS-3-40728,COCc1cc(-c2cnc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cn2)n(C)n1,LSQPRJDBHGXPCC-UHFFFAOYSA-N,3,1,0.407,31,828,449.5,2.472,5,0.369,0.6,1.0,0.15423891439928722,0.09478445617161264,0.024192995682269892,0.011214104585018161,0.07110761770954697
EOS-3-40729,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccnnc1,MYUBOGSOBUQGBI-UHFFFAOYSA-N,3,1,0.612,35,202,413.416,3.404,5,0.421,0.71,1.0,0.9416849427729422,0.9216983071756563,0.6912822973065589,0.67459392776369,0.8073148687547119
EOS-3-40730,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)c1,YBTDXJPIUWMDFF-UHFFFAOYSA-N,3,1,0.641,84,884,418.457,4.07,5,0.414,0.69,1.0,0.664998971969022,0.6510263175930368,0.6528339387293537,0.6516345692550202,0.6551234493866082
EOS-3-40731,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccn5)n4)n23)cc1,SXSAQALXLQKCRT-UHFFFAOYSA-N,3,1,0.354,62,423,407.437,3.275,5,0.491,0.81,1.0,0.13247892536495098,0.06417483380165856,0.3327993283530944,0.2517819203618669,0.1953087519703927
EOS-3-40732,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ccnnc4)cc3F)n12,AZVOKUNFSHOWCL-UHFFFAOYSA-N,3,1,0.471,16,202,451.824,4.154,5,0.371,0.63,1.0,0.8646254540470153,0.9059694332122541,0.9161298060448222,0.9182544033993557,0.9012447741758618
EOS-3-40733,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4cccnc4)cnn3)n12,MBRJPCLOZQWDCE-UHFFFAOYSA-N,3,1,0.432,92,466,413.445,2.307,5,0.417,0.72,1.0,0.23149544239599754,0.12354362278116647,0.08984134055239532,0.07985230621616064,0.13118317798643
EOS-3-40734,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)cn2)s1,JRCAYBZNUXRXEL-UHFFFAOYSA-N,3,1,0.263,30,543,448.515,4.742,6,0.384,0.67,0.997,0.06532280172709204,0.0947930230964293,0.25919231032828455,0.32431807278459324,0.18590655198409978
EOS-3-40735,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnn(C)n6)nn5)n34)cn2)c1,MQLKGBRPZDOQTC-UHFFFAOYSA-N,3,1,0.408,99,502,467.457,1.146,6,0.346,0.62,0.999,0.3368857514906449,0.23815194297854841,0.018590226852169146,0.011222671509834829,0.1512126482077993
EOS-3-40736,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)c1,VFALDXURNIFUEY-UHFFFAOYSA-N,3,1,0.5,26,438,445.914,4.17,5,0.365,0.63,1.0,0.6179665547255158,0.5601055445137414,0.5635922829141251,0.5316119525735042,0.5683190836817216
EOS-3-40737,COc1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1-c1ccccc1,LZAGQZDGHIKOME-UHFFFAOYSA-N,3,1,0.576,91,955,459.456,4.762,5,0.349,0.71,1.0,0.9428757453224591,0.8890497566993352,0.8893667329175519,0.8478428483311631,0.8922837708176273
EOS-3-40738,Cn1ccnc1-c1cc(-c2nnc3cncc(COCCCCc4ccccc4)n23)ccn1,CKRCTGALCGBAMO-UHFFFAOYSA-N,3,1,0.404,52,351,439.523,4.126,5,0.321,0.77,1.0,0.10302583784524708,0.004292029333150572,0.13217908299636763,0.15558392159550408,0.09877021794256734
EOS-3-40739,COc1nc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccco4)cn3)n12,QHYBHQJMBGDOQU-UHFFFAOYSA-N,3,1,0.315,70,687,437.419,4.172,6,0.391,0.6,1.0,0.3368943184154616,0.09160612706462888,0.3661417997395655,0.2872832568021383,0.2704813755054486
EOS-3-40740,COc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnn5C)ncn4)n23)cc1,KQXINRDPAIFLCF-UHFFFAOYSA-N,3,1,0.535,4,463,414.429,2.569,5,0.417,0.67,1.0,0.3438934959906792,0.21767699266671237,0.2923120416695223,0.16618977451853884,0.2550180762113632
EOS-3-40741,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)nc1,SMBISNSWTJGNCJ-UHFFFAOYSA-N,3,1,0.494,65,116,415.392,2.194,5,0.411,0.62,1.0,0.7288910972517305,0.6080631896374478,0.1565091494757042,0.15834247138647112,0.4129514769378384
EOS-3-40742,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(CO)nc6)nn5)n34)cn2)n(C)n1,XIGBJHVQQVPXIM-UHFFFAOYSA-N,3,1,0.3,70,14,477.492,2.302,6,0.392,0.61,0.994,0.1296861078747173,0.07844733054622713,0.07568021383044342,0.06515146323075868,0.08724127887053662
EOS-3-40743,Clc1ccc(OCc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)nc1,AEXCIULNLHHCDK-UHFFFAOYSA-N,3,1,0.366,2,419,450.289,4.529,5,0.364,0.67,1.0,0.4461311767527928,0.5843670755945446,0.7709803988760194,0.812410047289425,0.6534721746281955
EOS-3-40744,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnsc5)cc4)n23)c(F)c1,CWTGQWMPJKYTOC-UHFFFAOYSA-N,3,1,0.329,9,38,454.494,4.516,6,0.389,0.63,1.0,0.2507196216846001,0.3389161126721952,0.6084572681790145,0.6429648413405524,0.46026446096909057
EOS-3-40745,Cn1cncc1-c1cccc(-c2nnc3cncc(COc4ccc(Cl)cn4)n23)c1,TZAFYJRFNASNNL-UHFFFAOYSA-N,3,1,0.386,14,351,417.86,3.819,5,0.432,0.63,1.0,0.43209855390309093,0.43340072647522443,0.5992820917003633,0.576956685628127,0.5104345144267014
EOS-3-40746,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccnn5C)n34)c(F)cn2)nc1,SZMHRPAREHZOHQ-UHFFFAOYSA-N,3,1,0.396,7,62,417.408,2.403,5,0.429,0.62,1.0,0.31449181001987525,0.18103625522582414,0.19213042286340895,0.15559248852032073,0.21081274415735726
EOS-3-40747,Fc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccncn1,OWCQUKJNPRGYHT-UHFFFAOYSA-N,3,1,0.368,51,924,435.81,2.805,5,0.384,0.54,0.999,0.6740285107257898,0.6459375642519362,0.3142433692001919,0.3563840723733809,0.49764837913782467
EOS-3-40749,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)c(F)c2)ns1,UAGQVUPDNVFXHB-UHFFFAOYSA-N,3,1,0.494,16,772,455.425,4.01,5,0.37,0.69,1.0,0.7227057775340964,0.7592094441779179,0.6912908642313755,0.6806079089849908,0.7134534987320951
EOS-3-40750,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)nc2C)n1,KWAMFIMRPIUYPW-UHFFFAOYSA-N,3,1,0.426,46,223,464.411,3.651,5,0.363,0.61,0.991,0.7497429922555,0.6849941744911247,0.6381159618943184,0.5985110684668631,0.6678410492769515
EOS-3-40751,CCc1ncncc1-c1cc(F)cc(-c2nnc3cncc(COc4cccc(C)n4)n23)c1,IJPGESBSBGNSSP-UHFFFAOYSA-N,3,1,0.363,14,351,441.47,4.232,5,0.389,0.63,1.0,0.49690734014118293,0.560114111438558,0.49910047289424986,0.4010605852923035,0.48929562744157357
EOS-3-40752,COc1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)c(F)cc1-c1cncn1C,ZIAHJWGQRVJWLP-UHFFFAOYSA-N,3,1,0.421,36,662,448.462,2.96,5,0.394,0.54,1.0,0.4368703310259749,0.4288259886231238,0.3739377013227332,0.21680316633541225,0.36410929682681104
EOS-3-40753,Cn1ccnc1-c1cnc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,PFJJTGYQQBDKDJ-UHFFFAOYSA-N,3,1,0.37,85,674,419.399,2.905,5,0.432,0.6,1.0,0.27989000068535397,0.2895192241792886,0.3888184497292852,0.327676307312727,0.3214759954766637
EOS-3-40754,Fc1cc(-c2cc(Cl)ncn2)cc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,SSTSNPDJDKCDRO-UHFFFAOYSA-N,3,1,0.655,88,732,464.863,4.801,5,0.336,0.74,1.0,0.9337177026934411,0.9320300185045576,0.9114522650949215,0.9225978342814063,0.9249494551435816
EOS-3-40755,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)[nH]n2)nn1,ZIPNQTDFVVMMIM-UHFFFAOYSA-N,3,1,0.516,19,963,416.42,3.04,5,0.453,0.66,0.985,0.5429802618052224,0.46849941744911244,0.36615036666438217,0.3695171681173326,0.4367868035090124
EOS-3-40756,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C)n5C)ccn4)n23)cc1,LNYPJXPYBNZMNX-UHFFFAOYSA-N,3,1,0.536,89,926,412.457,3.178,5,0.437,0.73,1.0,0.38536597902816805,0.21278527859639504,0.14721403604961963,0.11388013158796519,0.214811356315537
EOS-3-40757,CCOc1ccc(Cl)cc1-c1nnc2cncc(-c3nc(-c4ccc(Cl)nc4)no3)n12,DVGAJKZRWKRUEK-UHFFFAOYSA-N,3,1,0.409,50,155,454.277,4.609,5,0.355,0.75,0.998,0.4413679665547255,0.5939877321636625,0.48546192858611475,0.5803920224796107,0.5253024124460284
EOS-3-40758,Cc1cnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)cn1,BOLYBVPBQJZEAO-UHFFFAOYSA-N,3,1,0.544,84,308,463.423,3.991,5,0.352,0.65,1.0,0.8066702076622576,0.727768830100747,0.8035090124049071,0.7666626687684189,0.7761526797340826
EOS-3-40759,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc1-c1cnc(Cl)cn1,HVJWYNMVSASEFR-UHFFFAOYSA-N,3,1,0.409,46,128,469.267,4.063,5,0.38,0.62,0.995,0.6555325200466041,0.8015129189226236,0.5832448084435611,0.6835720649715578,0.6809655780960866
EOS-3-40760,Fc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)nc5)n34)n2)ccn1,IAAXPSHKOVSQQD-UHFFFAOYSA-N,3,1,0.299,32,368,464.439,4.651,6,0.351,0.68,0.999,0.30661023918854086,0.4154016174354054,0.7276403262284971,0.7434206017407992,0.5482681961483107
EOS-3-40762,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cn2)nc1,FGTIICKVYCXVKM-UHFFFAOYSA-N,3,1,0.324,32,191,433.5,5.039,6,0.387,0.71,1.0,0.12392056747309986,0.14493523404838599,0.530352614625454,0.5545884449318073,0.3384492152696868
EOS-3-40763,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnc(F)nc6)nn5)n34)cn2)n1C,SSJZENVDJKLTSN-UHFFFAOYSA-N,3,1,0.277,86,312,454.433,2.072,6,0.367,0.54,1.0,0.048257487492289766,0.14870468096771983,0.11817216092111575,0.10261462545404701,0.1044372387087931
EOS-3-40764,c1cnnc(-c2ncc(-c3nnc4cncc(OCc5cnc(-c6csnn6)cn5)n34)cn2)c1,NOMDWQUDZQMUIW-UHFFFAOYSA-N,3,1,0.413,80,816,468.466,1.926,6,0.35,0.62,1.0,0.2178997327119457,0.22813720786786376,0.03340243986018779,0.03141491330272086,0.12771357343567952
EOS-3-40765,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(Cl)nc5F)n34)c2)nn1C,HBSUUANRSQIHJO-UHFFFAOYSA-N,3,1,0.449,2,36,469.843,3.196,5,0.361,0.65,1.0,0.512019395517785,0.5136899458570352,0.3998697827427867,0.40106915221712014,0.45666206908368173
EOS-3-40766,COC(=O)c1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)cn1,ZJHRFBBUVCQSEM-UHFFFAOYSA-N,3,1,0.396,46,128,474.868,3.057,5,0.338,0.67,1.0,0.4820694263587143,0.5457559454458227,0.23784353368514838,0.17986258652594064,0.3613828730039065
EOS-3-40767,Cn1ccc(-c2cnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)n1,FNYOSEXENMPTFQ-UHFFFAOYSA-N,3,1,0.457,18,578,434.41,2.882,5,0.379,0.56,1.0,0.6008841066410802,0.4466708930162429,0.5436827496401891,0.4947570420121993,0.5214986978274279
EOS-3-40768,Cc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc(-c2ccccn2)n1,NSGGNQSSNIJEAZ-UHFFFAOYSA-N,3,1,0.5,75,265,461.888,4.366,5,0.371,0.63,1.0,0.8922195188815023,0.8132924405455417,0.647256870673703,0.6487560825166199,0.7503812281543417
EOS-3-40769,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cs1,RUIUONOLAADYPZ-UHFFFAOYSA-N,3,1,0.529,27,51,457.441,4.246,5,0.393,0.62,0.997,0.7556970050030841,0.6128435336851484,0.9011205537660202,0.8077496401891577,0.7693526831608526
EOS-3-40770,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cccc(C(F)F)n5)n34)ccn2)ccn1,RPVCEYDOLIANLV-UHFFFAOYSA-N,3,1,0.506,27,183,449.396,4.299,5,0.357,0.65,1.0,0.6290692892879172,0.7141302857926118,0.8771845658282503,0.8124186142142417,0.7582006887807553
EOS-3-40771,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)nn1C,QFHNYANBSLUHGE-UHFFFAOYSA-N,3,1,0.402,95,998,452.881,3.78,5,0.389,0.59,0.992,0.37149612774998286,0.35341134946199715,0.492212665341649,0.5113940100061681,0.4321285381399492
EOS-3-40772,Fc1ncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)[nH]2)cc1Cl,RNXXNZMMXFXIKE-UHFFFAOYSA-N,3,1,0.277,70,407,471.847,3.283,6,0.384,0.63,0.028,0.23720101432389828,0.3534199163868138,0.3814680282365842,0.47648379137824687,0.3621431875813858
EOS-3-40773,Cc1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)c(Cl)c4)n23)cn1,XPTQGORILYBCOB-UHFFFAOYSA-N,3,1,0.375,96,46,416.847,5.016,5,0.413,0.8,0.999,0.38997498457953533,0.5228908231101363,0.8747429922555,0.8976766499897197,0.6713213624837229
EOS-3-40774,CCOc1cncc(COc2cncc3nnc(-c4ccc(-c5cncn5C)nc4OC)n23)n1,YBVLNDWCTOPNTP-UHFFFAOYSA-N,3,1,0.392,7,456,459.47,2.363,5,0.341,0.63,0.939,0.3269052840792269,0.09782571448152971,0.07568878075526009,0.02233397299705298,0.13068843807826744
EOS-3-40775,Cn1cncc1-c1ccc(F)c(-c2nnc3cncc(-c4nnn(-c5cccc(Cl)c5)n4)n23)n1,MMFPLIJGOJXBTQ-UHFFFAOYSA-N,3,1,0.283,10,952,473.863,3.022,6,0.383,0.59,0.972,0.01739085737783565,0.17682989514084024,0.1660869714207388,0.3026694537728737,0.1657442944280721
EOS-3-40776,CCc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(C)nn5)n34)nn2C)cn1,FBJNFYTYRMJBQL-UHFFFAOYSA-N,3,1,0.365,31,828,429.448,1.617,5,0.392,0.59,1.0,0.13502330203550134,0.045259063806456036,0.00805290932766774,0.002878486738400384,0.047803440477006374
EOS-3-40777,Clc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)s1,NOAWYNAGQYHBOP-UHFFFAOYSA-N,3,1,0.333,94,136,469.921,4.482,6,0.372,0.66,0.987,0.1678431910081557,0.3629720375573984,0.29232060859433895,0.38887841820300184,0.3030035638407237
EOS-3-40778,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)cn1,NPHGXNBJFLPGSJ-UHFFFAOYSA-N,3,1,0.549,75,525,413.416,3.404,5,0.394,0.75,1.0,0.885031868960318,0.8056507436090741,0.5960009594955795,0.5579124117606744,0.7111489959564115
EOS-3-40780,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)c(C)n1,FHPDJYZNCZCTBZ-UHFFFAOYSA-N,3,1,0.5,7,567,449.927,4.554,5,0.388,0.64,1.0,0.5508018641628402,0.6408488109108355,0.37394626824754984,0.3404838599136454,0.4765202008087177
EOS-3-40781,COc1cc(-c2nnc(CO)s2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,OVAUDJTUCRVBPO-UHFFFAOYSA-N,3,1,0.543,15,771,461.507,2.827,5,0.372,0.64,1.0,0.36692138989788226,0.2790504420533205,0.10960523610444795,0.07239051470084298,0.20699189568912343
EOS-3-40782,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5cccc(F)c5)cn4)n23)c(F)c1,CHBNVCWWHFJKKK-UHFFFAOYSA-N,3,1,0.358,10,783,478.426,3.646,6,0.376,0.66,1.0,0.09090363922966212,0.3868737577959016,0.7017767802069769,0.7855955726132547,0.4912874374614489
EOS-3-40783,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5c(Cl)cncc5Cl)ncn4)n23)cn1,DBWBSIRRXJAPIG-UHFFFAOYSA-N,3,1,0.489,73,354,465.304,4.233,5,0.38,0.66,1.0,0.6555410869714208,0.7325320402988144,0.6055445137413474,0.6401377561510521,0.6584388492906587
EOS-3-40784,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)ns1,MSNBZXLUMBPEJA-UHFFFAOYSA-N,3,1,0.512,13,145,422.42,4.689,5,0.418,0.76,1.0,0.5481632513193064,0.5843756425193612,0.6665924199849222,0.6835806318963745,0.6206779864299912
EOS-3-40785,Cc1cnnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c(F)c2F)n1,WVMVUZOYKCXJHL-UHFFFAOYSA-N,3,1,0.471,13,145,469.814,4.815,5,0.373,0.72,1.0,0.7984202590638064,0.8890583236241518,0.8978565554108697,0.9106641080117881,0.873999811527654
EOS-3-40786,Cc1nc(-c2nnc(C)n2C)ccc1-c1nnc2cncc(OCc3ccc(F)c(C#N)n3)n12,IOAYAJGAZFWIEL-UHFFFAOYSA-N,3,1,0.447,36,677,456.445,2.583,5,0.391,0.58,0.972,0.4577222260297444,0.4907991227468988,0.10685525323829759,0.0905609622369954,0.28648439106298407
EOS-3-40787,Cc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1cncn1C,IGIPIDNWCKAZTP-UHFFFAOYSA-N,3,1,0.418,31,690,447.89,2.96,5,0.365,0.59,0.932,0.4696131176752793,0.46850798437392915,0.15349359194023712,0.13592282914125145,0.30688438078267427
EOS-3-40788,COc1ncc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)cc1-c1cnc(C)cn1,WIEZCYLRDAGBRB-UHFFFAOYSA-N,3,1,0.389,92,662,443.471,2.581,5,0.39,0.56,1.0,0.22903673497361388,0.12355218970598314,0.08984990747721198,0.027696867932287025,0.11753392502227401
EOS-3-40789,Cc1ncn(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nc2)n1,RWMLNBMXOXLNDP-UHFFFAOYSA-N,3,1,0.417,31,773,417.408,2.231,5,0.387,0.68,1.0,0.3762679048728668,0.16021862792132135,0.2130337194160784,0.17419984922212323,0.23093002535809742
EOS-3-40790,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)[nH]n2)ncc1Cl,PTCMFESJVHUTJY-UHFFFAOYSA-N,3,1,0.417,46,963,454.281,3.561,5,0.401,0.6,1.0,0.4648670413268453,0.4106983757110548,0.2592008772531012,0.3501302172572133,0.37122412788705367
EOS-3-40791,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4)n23)ccc1-c1cnc(C)c(F)c1,HDNNDVAPFQCSPO-UHFFFAOYSA-N,3,1,0.398,46,717,455.497,4.541,5,0.371,0.72,1.0,0.5668305804948256,0.48613871564663147,0.4955280652456994,0.36952573504214925,0.4795057741073265
EOS-3-40792,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c(F)c2)cs1,OQVKWXOZAGOHEL-UHFFFAOYSA-N,3,1,0.483,4,92,453.89,4.385,5,0.364,0.74,1.0,0.6862021108902748,0.772102666027003,0.5960095264203962,0.5894815297100953,0.6609489582619423
EOS-3-40793,Cn1cc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6nccn6C)s5)n34)c2)nn1,HHQOLWHZNJOGGS-UHFFFAOYSA-N,3,1,0.261,99,813,473.953,4.369,6,0.377,0.71,0.998,0.056558837639640876,0.18943184154615858,0.3067730107600576,0.3728668357206497,0.23140763141662668
EOS-3-40794,COc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cn(C)nn5)c4)n23)cn1,GNGFKVNXXXAVSB-UHFFFAOYSA-N,3,1,0.418,92,134,415.417,1.964,5,0.41,0.67,1.0,0.29642416558152285,0.1810448221506408,0.1597817147556713,0.08157425810431088,0.17970624014803643
EOS-3-40795,CCn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cnn1,UUGKQBXUAZYQJK-UHFFFAOYSA-N,3,1,0.479,36,659,468.308,3.746,5,0.371,0.66,1.0,0.48449386608183126,0.6607155095606881,0.24150161058186553,0.394986635597286,0.4454244054554177
EOS-3-40796,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccncn4)n23)c(F)c1,WCHNMONVIJHINR-UHFFFAOYSA-N,3,1,0.467,26,448,416.42,3.183,5,0.419,0.65,1.0,0.5196353916798027,0.5317918579946542,0.47485607566307997,0.3980021931327531,0.4810713796175725
EOS-3-40797,COc1cc(-c2nnc3cncc(CCc4ccnc(Cl)c4)n23)ccc1-c1nccs1,QBOYRALBULHZLM-UHFFFAOYSA-N,3,1,0.404,14,257,448.939,4.757,5,0.348,0.78,1.0,0.4721403604961963,0.44667945994105956,0.5132873003906517,0.4857532040298814,0.4794650812144472
EOS-3-40798,CCc1nc(-c2nnc3cncc(OCCc4cnco4)n23)ccc1-c1cncc(C)n1,JSHGIFSYJLRXFF-UHFFFAOYSA-N,3,1,0.418,31,690,428.456,3.124,5,0.385,0.58,0.79,0.29096703447330546,0.10773764649441436,0.06508292783222534,0.043931190459872524,0.12692969981495442
EOS-3-40799,CCOc1nnc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)s1,WMABCJBWKWNMNK-UHFFFAOYSA-N,3,1,0.33,22,356,421.421,2.7,5,0.422,0.64,0.685,0.36447981632513193,0.4243626207936399,0.030798094715920772,0.06683914741964224,0.22161991981358373
EOS-3-40800,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5C)cn4)n23)cc1,IWDRSHUCULHOMJ-UHFFFAOYSA-N,3,1,0.283,9,98,458.529,5.107,6,0.357,0.79,1.0,0.0582550887533411,0.05243814680282366,0.38516037283256804,0.4039305051058872,0.22494602837365502
EOS-3-40801,Clc1cnc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5ccnnc5)ncn4)n23)cn1,DMYTYZVBYCODHG-UHFFFAOYSA-N,3,1,0.256,86,953,466.856,2.606,6,0.377,0.55,0.865,0.14574052498115275,0.22310842300047976,0.12936913165650057,0.1960540744294428,0.17356803851689395
EOS-3-40802,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(Cl)cn5)n4)n23)cn1,RAMVXXLITMQERU-UHFFFAOYSA-N,3,1,0.354,86,513,467.884,3.154,6,0.384,0.56,1.0,0.17594750188472347,0.2381605099033651,0.1855424576793914,0.22846275101089714,0.20702830511959425
EOS-3-40803,Fc1cc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc(C(F)(F)F)c1F,RHNJIKDNIMMOGL-UHFFFAOYSA-N,3,1,0.41,66,225,441.31,5.012,4,0.418,0.66,0.999,0.5640291960797752,0.7418871221986156,0.9995288191350833,0.9989719690219999,0.8261042766088685
EOS-3-40804,Fc1cnc(F)c(F)c1COc1cncc2nnc(-c3ccc(-c4csnn4)cn3)n12,YTAYSCBFFWJHMI-UHFFFAOYSA-N,3,1,0.398,46,915,442.386,3.096,5,0.383,0.58,0.999,0.5225053114933863,0.477486121581797,0.6413285587005688,0.6281440614077171,0.5673660132958673
EOS-3-40805,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccn1,KMFZFZKYXURAJH-UHFFFAOYSA-N,3,1,0.539,75,624,450.865,3.396,5,0.366,0.6,1.0,0.6465629497635529,0.5892844904393119,0.5832533753683777,0.5610393393187582,0.5950350387225002
EOS-3-40806,Clc1ccc(-c2nnc3cncc(-c4cc(-c5cnnc(-c6ccccn6)c5)cnn4)n23)cn1,BUNWXWOUBFKATD-UHFFFAOYSA-N,3,1,0.321,70,719,464.88,3.816,6,0.358,0.6,0.845,0.18755568501130834,0.38230758686861765,0.4505602768830101,0.5246127749982866,0.3862590809403057
EOS-3-40807,Clc1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccn4)n23)nc1,WSWODGSFMQOQHY-UHFFFAOYSA-N,3,1,0.444,51,196,451.277,3.924,5,0.371,0.61,0.997,0.6862106778150915,0.8133010074703585,0.34354225207319583,0.4642844904393119,0.5768346069494894
EOS-3-40808,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5)n34)cn2)ccn1,GXQMLXAWGLDESL-UHFFFAOYSA-N,3,1,0.321,69,484,445.461,5.116,6,0.351,0.75,1.0,0.2665170310465355,0.3914827633472689,0.8076040024672744,0.8124271811390583,0.5695077445000343
EOS-3-40810,Clc1ncc(-c2nnc3cncc(OCc4ncc(-c5ccncc5)cn4)n23)c(Cl)n1,GRZQYPMRDVXKNJ-UHFFFAOYSA-N,3,1,0.42,51,969,452.265,3.319,5,0.292,0.74,1.0,0.5750119936947433,0.670387567678706,0.3288842437118772,0.40393907203070384,0.49455571927900766
EOS-3-40811,Clc1ccnc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1,DTQGYJBYIFERHH-UHFFFAOYSA-N,3,1,0.578,2,422,415.844,3.876,5,0.43,0.67,1.0,0.4845024330066479,0.6030601055445137,0.5896014666575287,0.6312538551161675,0.5771044650812145
EOS-3-40812,Cc1nc(COc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)ccc1F,YNAASPOBAVFQHW-UHFFFAOYSA-N,3,1,0.524,2,419,418.457,4.336,5,0.423,0.74,1.0,0.5508104310876568,0.5457645123706394,0.6259937632787335,0.5804005894044274,0.5757423240353643
EOS-3-40813,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cnc2Cl)c1,GZUIYGYGXHJQLF-UHFFFAOYSA-N,3,1,0.511,2,338,453.293,3.868,5,0.373,0.64,1.0,0.4969159070659996,0.6363940100061681,0.5927797957645123,0.6429734082653691,0.5922657802755122
EOS-3-40814,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5cnccn5)cn4)n23)cc1,DAVBPHNFAGIDAV-UHFFFAOYSA-N,3,1,0.518,16,540,413.416,3.67,5,0.434,0.7,1.0,0.82507196216846,0.7805753546706874,0.6472654375985196,0.5864060037009116,0.7098296895346448
EOS-3-40815,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)cn1,JMGCNTGYWJMGSJ-UHFFFAOYSA-N,3,1,0.494,87,76,419.445,3.465,5,0.389,0.68,1.0,0.6650075388938387,0.6128521006099651,0.4854704955109314,0.454920841614694,0.5545627441573573
EOS-3-40816,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)ncn1,LAVOPHZRTYSEQU-UHFFFAOYSA-N,3,1,0.436,87,173,444.886,3.622,5,0.366,0.59,1.0,0.6067524501404976,0.6559094647385375,0.3851689397573847,0.37287540264546637,0.5051765643204715
EOS-3-40817,Clc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,KKNXYFQIZYNITB-UHFFFAOYSA-N,3,1,0.658,35,393,433.924,5.19,5,0.368,0.74,1.0,0.6650161058186553,0.817130422863409,0.7908727983003221,0.8186382016311425,0.7729143821533823
EOS-3-40819,Fc1cncc(C(F)(F)c2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)c1,UOUPNQIWLOMJAR-UHFFFAOYSA-N,3,1,0.358,14,202,419.37,3.923,5,0.439,0.58,1.0,0.3194863271879926,0.42883455554794053,0.9827376464944144,0.9680453704338291,0.6747759749160441
EOS-3-40820,Cc1noc(-c2cc(COc3cncc4nnc(-c5cc(-c6ccsc6)ccn5)n34)ccn2)n1,KAVFLDQOFCEYQP-UHFFFAOYSA-N,3,1,0.361,80,160,468.502,4.247,6,0.353,0.74,1.0,0.4092762661914879,0.20311322047837707,0.2270577753409636,0.20197381947776027,0.26035527037214723
EOS-3-40821,CC#Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)c5)cc4)n23)cn1,CACROSLVBXTOSR-UHFFFAOYSA-N,3,1,0.318,82,478,423.867,4.335,5,0.317,0.79,1.0,0.23441676375848125,0.372678363374683,0.7249417449112466,0.7330546227126311,0.5162728736892606
EOS-3-40822,Cc1ccc(-c2nnc3cncc(Oc4nccc(-c5ccc(F)cn5)c4F)n23)cn1,AHLVRBDCJALQPZ-UHFFFAOYSA-N,3,1,0.426,13,412,417.379,4.022,5,0.436,0.65,1.0,0.7615482146528683,0.7505654170379,0.7043896922760606,0.6459718319512028,0.7156187889795079
EOS-3-40823,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2F)n1,SROMNCXYPZAEGL-UHFFFAOYSA-N,3,1,0.675,59,293,464.863,5.067,5,0.361,0.75,1.0,0.983183126584881,0.9733739976697965,0.9188883558357892,0.9127972722911384,0.9470606880954013
EOS-3-40824,C#Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)ncn2)c1,VFMYMZAZMAMZPX-UHFFFAOYSA-N,3,1,0.351,7,395,441.842,2.647,5,0.379,0.53,0.924,0.430008224247824,0.4861472825714482,0.38882701665410185,0.4010777191419368,0.4265150606538277
EOS-3-40825,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)s1,NSNBWYOJCOEGDH-UHFFFAOYSA-N,3,1,0.314,76,14,472.925,3.821,6,0.38,0.64,0.799,0.10558734836543074,0.2583870193955178,0.1504094990062367,0.2168117332602289,0.1827989000068535
EOS-3-40826,CC(F)(F)c1ccc(-c2nnc3cncc(-c4cnc(C(F)F)nc4-c4ccncc4)n23)cn1,NMNHGIVRCXGPGG-UHFFFAOYSA-N,3,1,0.378,82,243,466.402,4.755,5,0.345,0.73,0.973,0.3669299568226989,0.4642245219655952,0.9055410869714208,0.7949163868137893,0.632902988143376
EOS-3-40827,Cn1ncc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)c1-c1cccc(Cl)c1,JNMJXSZVBJNBCQ-UHFFFAOYSA-N,3,1,0.327,64,114,465.908,4.364,6,0.381,0.65,0.973,0.03790007538893839,0.14871324789253648,0.3103796861078747,0.4486327187992598,0.23640643204715234
EOS-3-40828,Cc1nnc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)s1,WBHAGHMCSABTHF-UHFFFAOYSA-N,3,1,0.414,56,425,475.523,2.834,6,0.381,0.68,1.0,0.39203961346035227,0.4013432938112535,0.007264752244534302,0.005962579672400795,0.2016525597971352
EOS-3-40829,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cccc(Cl)c6)n5)n34)nc2)ccn1,IVIBPNJHVQLQPI-UHFFFAOYSA-N,3,1,0.284,10,871,469.871,4.289,6,0.355,0.67,0.791,0.027851072578987047,0.19396374477417586,0.592788362689329,0.7058460694948941,0.3801123123843465
EOS-3-40830,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)nc1,IWGYFMPXYAOPNJ-UHFFFAOYSA-N,3,1,0.368,64,318,465.452,3.975,6,0.376,0.63,1.0,0.6585823452813379,0.5318004249194709,0.3625779590158317,0.3632633130011651,0.4790560105544514
EOS-3-40831,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ncc(-c5cc(F)cnn5)cc4F)n23)cc1,HVVIXGZKHQRHER-UHFFFAOYSA-N,3,1,0.382,52,916,484.47,3.405,6,0.393,0.69,1.0,0.21499554519909533,0.20312178740319375,0.33620896443012815,0.4265214858474402,0.29521194571996434
EOS-3-40832,FC(F)c1ccc(C(F)(F)c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,HKUQYSDWDZRHCM-UHFFFAOYSA-N,3,1,0.411,66,455,424.308,4.597,4,0.438,0.63,0.875,0.3145003769446919,0.49080768967171545,0.9982180796381331,0.9934206017407992,0.6992366869988349
EOS-3-40833,CCOc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)c2)cc1O,AQSBGPZPNFATSE-UHFFFAOYSA-N,3,1,0.388,7,160,455.478,3.635,5,0.392,0.64,1.0,0.16785175793297238,0.0854293742718114,0.38147659516140087,0.22511308340758002,0.21496770269344118
EOS-3-40834,Fc1ccnc(F)c1COc1cncc2nnc(-c3cc(-c4cscn4)cnn3)n12,NFYYOPPEAJZVPM-UHFFFAOYSA-N,3,1,0.387,54,511,424.396,2.957,5,0.397,0.6,0.912,0.5698290041806593,0.4288431224727572,0.4748646425878966,0.4857617709546981,0.48982463504900275
EOS-3-40835,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)nn2C)ccn1,LRHKKHMPRCWXII-UHFFFAOYSA-N,3,1,0.575,19,54,411.469,3.517,5,0.425,0.81,1.0,0.32176512918922623,0.10774621341923103,0.2960729216640395,0.25483174559660066,0.24510400246727437
EOS-3-40836,Cc1ccc(-c2nnc3cncc(CCc4cccc(-c5ncc(F)cn5)n4)n23)cc1,PPRMERPKDQFVDS-UHFFFAOYSA-N,3,1,0.398,14,886,411.444,3.876,5,0.437,0.76,1.0,0.42071311082173946,0.4908162565965321,0.32525186758961006,0.35639263929819753,0.3982934685765198
EOS-3-40838,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)nc1,XPHWCQILRPWKQB-UHFFFAOYSA-N,3,1,0.477,73,379,470.802,3.688,5,0.358,0.66,1.0,0.8223990816256597,0.8585001028030979,0.6966194914673429,0.7461962853813995,0.780928740319375
EOS-3-40839,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)c(Cl)n1,FCJZQVFVLJTEJI-UHFFFAOYSA-N,3,1,0.5,37,832,468.905,3.822,5,0.37,0.65,1.0,0.7406877527242821,0.8133095743951751,0.23785210060996503,0.3122130080186416,0.5260156089370159
EOS-3-40840,Cc1cc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(Oc3ccc(F)cc3Cl)n12,ROVRQOGEPJTBNA-UHFFFAOYSA-N,3,1,0.488,13,145,450.836,5.281,5,0.37,0.74,1.0,0.8347868549105613,0.8644712494003153,0.8978651223356864,0.9038020012336372,0.8752313069700499
EOS-3-40841,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)nc4)n23)cc1,GQEJYIWKNJLOMS-UHFFFAOYSA-N,3,1,0.31,38,57,420.436,3.909,6,0.426,0.61,1.0,0.12106778150914947,0.07509766294291001,0.48547906243574807,0.432869577136591,0.27862852100609964
EOS-3-40842,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cncnc5)cn4)n23)c(F)c1,HEISRHZSPVTFEN-UHFFFAOYSA-N,3,1,0.264,94,165,464.468,3.728,6,0.379,0.56,0.999,0.20977828798574463,0.25839558632033444,0.4611232951819615,0.4454201219930094,0.3436793228702625
EOS-3-40843,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn(C)c2=O)cn1,ICSCGSBDGTVIGS-UHFFFAOYSA-N,3,1,0.451,65,552,474.912,2.925,5,0.345,0.68,1.0,0.36930299499691593,0.2435919402371325,0.29232917551915566,0.27867349736138713,0.29597440202864783
EOS-3-40844,Cc1ccc(-c2nnc3cncc(OCc4nn(C)c(-c5cnccn5)c4F)n23)cc1,FBCZFKRNSKVVDA-UHFFFAOYSA-N,3,1,0.506,16,408,416.42,3.008,5,0.435,0.65,1.0,0.4622369954081283,0.4957079706668494,0.23786066753478172,0.23412548831471455,0.3574827804811185
EOS-3-40845,Cc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ccnc(F)c5)c4)n23)c1F,LKRJMDQDLHGZET-UHFFFAOYSA-N,3,1,0.533,75,278,445.433,3.851,5,0.367,0.6,1.0,0.829843739291344,0.7094698786923446,0.7170601740799123,0.6542988828730039,0.7276681687341512
EOS-3-40846,COc1ncc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cn1,BHIKTHVOKHTEEY-UHFFFAOYSA-N,3,1,0.378,85,580,460.448,3.77,5,0.362,0.62,1.0,0.5429888287300391,0.48615584949626484,0.5404615859091221,0.3888869851278185,0.4896233123158111
EOS-3-40847,COc1cc(-c2nc(C)n(C)c2F)ccc1-c1cncc2nnc(-c3cnc(C(F)F)cn3)n12,JVRUFWPVBWYIFX-UHFFFAOYSA-N,3,1,0.322,50,243,466.427,4.043,5,0.386,0.63,0.856,0.33452984716606127,0.37756151052018366,0.6472740045233363,0.494765608937016,0.4635327427866493
EOS-3-40848,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)nn1C,PLKSVDVFJGRIRX-UHFFFAOYSA-N,3,1,0.406,95,998,452.881,3.78,5,0.389,0.58,1.0,0.34390206291549585,0.33384449318072784,0.4890000685353985,0.5148893153313686,0.42040898499074775
EOS-3-40849,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nncc(CF)n4)n23)c(Cl)c1,IXXRKTWNKXUUFI-UHFFFAOYSA-N,3,1,0.412,36,908,466.868,2.957,5,0.356,0.6,1.0,0.4413765334795422,0.5984510999931465,0.08985847440202865,0.1406003700911521,0.3175716194914674
EOS-3-40850,Cc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)n(C)c(=O)c4)n23)cn1,LQVJMTHBNNFTKP-UHFFFAOYSA-N,3,1,0.5,37,490,475.459,3.155,5,0.372,0.66,0.967,0.5352186279213214,0.41541018436022203,0.577110890274827,0.5448821191145227,0.5181554554177232
EOS-3-40851,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cscn5)n4)n23)cn1,HGZHCFNDYQLTML-UHFFFAOYSA-N,3,1,0.418,80,34,468.506,3.079,6,0.363,0.62,1.0,0.3762764717976835,0.2739017202385032,0.10443938043999726,0.08158282502912755,0.20905009937632785
EOS-3-40852,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cc5)n34)s2)nc1,WMTQDSKCUAGFIS-UHFFFAOYSA-N,3,1,0.314,32,126,433.5,5.039,6,0.387,0.72,1.0,0.10028442190391337,0.12356075663079981,0.49910903981906657,0.5349444863271879,0.31447467617024194
EOS-3-40853,Cc1cc(-c2nnc3cncc(Cc4ccn(C)n4)n23)cc(-c2cc(C(F)F)cnc2C)n1,PSFSXTFKMBGYDH-UHFFFAOYSA-N,3,1,0.299,85,60,446.465,4.127,5,0.404,0.63,1.0,0.12392913439791653,0.14127715715166883,0.6290007538893838,0.4978411349461997,0.34801204509629224
EOS-3-40854,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)cn2)cs1,BDVUURFWGPEPFS-UHFFFAOYSA-N,3,1,0.603,13,374,420.885,5.064,5,0.404,0.83,1.0,0.5170567473099856,0.7048780069906107,0.5436913165650058,0.5955640463299294,0.5902975292988828
EOS-3-40855,Cc1c(F)ccc(COc2cncc3nnc(-c4cncc(-c5cccc(F)c5)c4)n23)c1F,FNYRLIRSTMOZSM-UHFFFAOYSA-N,3,1,0.494,59,137,447.42,5.158,5,0.373,0.79,1.0,0.834795421835378,0.8616098965115482,0.9704612432321293,0.9654324583647453,0.9080747549859502
EOS-3-40856,Cc1cc(-c2ncc(-c3nnc4cncc(OCc5nccc(-c6cccnn6)n5)n34)cn2)ccn1,JSCHWESUGHSPBQ-UHFFFAOYSA-N,3,1,0.394,80,843,475.476,2.778,6,0.351,0.65,0.999,0.4368788979507916,0.28952779110410526,0.10168939757384689,0.0762970324172435,0.2260982797614968
EOS-3-40857,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nn5)c4)n23)ccn1,GWELETSBUKQWKR-UHFFFAOYSA-N,3,1,0.536,58,578,465.304,3.967,5,0.347,0.66,1.0,0.8169847851415256,0.7971009526420396,0.5404701528339387,0.6138801315879652,0.6921090055513672
EOS-3-40859,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3ccc(C(F)F)cn3)n12,REYHROQMIUVAQS-UHFFFAOYSA-N,3,1,0.571,97,676,448.408,4.904,5,0.368,0.74,1.0,0.7817318895209375,0.8967171544102529,0.9556404632992941,0.9385665821396751,0.8931640223425399
EOS-3-40860,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)cc1-c1ccccn1,FMENHLCIDVKRSL-UHFFFAOYSA-N,3,1,0.441,95,493,416.42,2.742,5,0.42,0.66,0.999,0.47214892742101294,0.314885888561442,0.24863785895414983,0.2608885614419848,0.3241403090946474
EOS-3-40861,CCc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(-c4cccc(F)n4)nc3)n12,ACGCTQRPGNORQI-UHFFFAOYSA-N,3,1,0.315,82,974,426.459,4.148,6,0.393,0.68,0.981,0.09802275375231306,0.22814577479268042,0.08230244671372763,0.1880954012747584,0.1491415941333699
EOS-3-40862,Fc1cnc(F)c(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c1,SHAMTWMYOXOYRV-UHFFFAOYSA-N,3,1,0.489,97,666,422.42,4.167,5,0.396,0.71,1.0,0.7615567815776849,0.6559180316633542,0.7378349667603317,0.7117058460694949,0.7167539065177164
EOS-3-40863,Cc1ccc(-c2cnnc(COc3cncc4nnc(-c5cncc(F)c5)n34)n2)nc1,KMLRMYVZCCKWRH-UHFFFAOYSA-N,3,1,0.409,55,283,415.392,2.46,5,0.427,0.64,1.0,0.5668391474196423,0.5457730792954562,0.18866938523747515,0.20198238640257693,0.37581599958878764
EOS-3-40864,Clc1cncc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ncccn5)c4)n23)n1,JQFXQPFTHOGYBM-UHFFFAOYSA-N,3,1,0.512,20,279,465.304,3.967,5,0.371,0.59,1.0,0.9085480775820711,0.9522308272222603,0.4285004454800905,0.5448906860393393,0.7085425090809402
EOS-3-40865,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnccc5OC)c4)n23)cc1F,FCHFSNTWCYXQCC-UHFFFAOYSA-N,3,1,0.474,43,637,485.479,3.335,5,0.373,0.78,1.0,0.7497515591803167,0.4957165375916661,0.5636008498389418,0.39194537728736895,0.5502535809745733
EOS-3-40866,c1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncs6)n5)n34)cn2)n[nH]1,XBZDCVXAYJJIBO-UHFFFAOYSA-N,3,1,0.382,80,584,455.467,2.464,6,0.397,0.56,1.0,0.3553817421698307,0.41991638681378934,0.0823110136385443,0.07239908162565965,0.232502056061956
EOS-3-40867,Cc1nnc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)s1,GSSBRYXJGPHJQG-UHFFFAOYSA-N,3,1,0.488,13,145,438.875,5.203,5,0.383,0.78,1.0,0.6093824960592146,0.7373038174216983,0.682946679459941,0.7357789048043314,0.6913529744362963
EOS-3-40868,Cc1ccc(F)cc1Oc1cncc2nnc(-c3ccc(-c4ccnn4C)cc3F)n12,IWINQHUZPMQISS-UHFFFAOYSA-N,3,1,0.461,13,374,418.407,4.571,5,0.428,0.73,1.0,0.5481718182441231,0.6607240764855048,0.879874580220684,0.8386334041532452,0.7318509697758893
EOS-3-40869,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)n1,WYGTXIRKLRYKLN-UHFFFAOYSA-N,3,1,0.495,87,954,414.404,2.799,5,0.391,0.72,1.0,0.7557055719279008,0.8249263244465767,0.26274758412720167,0.2517904872866836,0.5237924919470907
EOS-3-40870,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(Cl)n2)nc1,BAXJMEZDHJUYKK-UHFFFAOYSA-N,3,1,0.554,65,262,448.849,3.452,5,0.364,0.58,1.0,0.864634020971832,0.9035278596395038,0.41021862792132135,0.45812487149612774,0.6591263450071962
EOS-3-40871,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)o5)n34)n2)c1,YYRLOVWLDLTSRT-UHFFFAOYSA-N,3,1,0.284,10,871,441.842,3.742,6,0.406,0.57,0.775,0.006073949695017476,0.05244671372764033,0.2995510931396066,0.41380816941950516,0.1929699814954424
EOS-3-40872,COCc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C)nn5)n34)nnc2C)n1C,MNUXPDSPCFUUPB-UHFFFAOYSA-N,3,1,0.35,53,587,458.486,2.114,5,0.357,0.59,0.891,0.2014084024398602,0.12003975053114933,0.026377561510520182,0.011231238434651498,0.0897642382290453
EOS-3-40873,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(F)nc5)n34)c2)n1C,SMVSFUXETZGIQM-UHFFFAOYSA-N,3,1,0.456,55,879,416.42,3.008,5,0.406,0.67,1.0,0.637713316427935,0.522899390034953,0.45420978685491054,0.3564012062230142,0.49280592488520325
EOS-3-40874,CCc1nc(-c2nnnn2C)cc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)n1,HXXHRCDRKMPPME-UHFFFAOYSA-N,3,1,0.253,50,542,454.38,1.81,5,0.395,0.54,0.703,0.162497429922555,0.19397231169899254,0.11818072784593242,0.0944760468782126,0.14228162908642314
EOS-3-40875,Cc1cnc(-c2cnc(Oc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c(Cl)c2)nn1,PLGPRSNPLWJUET-UHFFFAOYSA-N,3,1,0.411,27,412,466.839,4.73,5,0.366,0.72,1.0,0.8224076485504763,0.8493591940237133,0.7502398738948667,0.730218970598314,0.7880564217668425
EOS-3-40876,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5c(F)cc(Cl)cc5F)n34)c2)n[nH]1,WSXAYFWUWGSMBA-UHFFFAOYSA-N,3,1,0.449,59,422,453.84,4.395,5,0.424,0.61,0.999,0.7042868891782605,0.7094784456171612,0.8848091289150847,0.8811424850935509,0.7949292372010143
EOS-3-40877,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)cn1,YNERJJPRZTZKBZ-UHFFFAOYSA-N,3,1,0.489,75,324,415.392,2.194,5,0.411,0.64,1.0,0.6377218833527517,0.6220358440134329,0.21304228634089506,0.20199095332739359,0.41869774175861835
EOS-3-40878,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cncc(-c4ccc(Cl)cn4)c3)n12,RUMJNCPZGLWHBO-UHFFFAOYSA-N,3,1,0.495,65,349,446.902,3.565,5,0.393,0.59,1.0,0.40279110410527036,0.47286854910561305,0.29608148858885613,0.3122215749434583,0.3709906791857994
EOS-3-40879,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)ccc1F,HACWKCWOYHQDTL-UHFFFAOYSA-N,3,1,0.528,26,125,467.867,4.14,5,0.349,0.66,1.0,0.9158727983003221,0.855501679117264,0.8371341923103283,0.8405952299362621,0.8622759749160441
EOS-3-40880,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)s5)c4)n23)n(C)n1,XWSPNWNFBOIWGP-UHFFFAOYSA-N,3,1,0.465,92,662,418.486,3.239,5,0.432,0.64,1.0,0.23720958124871497,0.2127938455212117,0.09209444177917894,0.04793194434925639,0.1475074532245905
EOS-3-40881,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncs5)c4)n23)cc1,XQTQLHHFRKNNLI-UHFFFAOYSA-N,3,1,0.482,40,415,467.518,3.684,6,0.365,0.66,1.0,0.49692447399081624,0.33892467959701184,0.285047289424988,0.23723528202316496,0.33953293125899525
EOS-3-40882,Fc1cnnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc(F)n2)c1,KRVHDDPAULQPPV-UHFFFAOYSA-N,3,1,0.418,51,196,453.8,2.944,5,0.37,0.53,0.933,0.6585909122061545,0.7094870125419779,0.45421835377972725,0.5246213419231033,0.5867294051127407
EOS-3-40883,COc1cc(-c2nnc3cncc(-c4scnc4-c4cccc(F)c4)n23)ccc1Cl,IRDHSOFIDAKVII-UHFFFAOYSA-N,3,1,0.375,96,46,437.887,5.383,5,0.377,0.81,1.0,0.42300047974778976,0.6176924131313823,0.8434051812761291,0.8741347405935166,0.6895582036872044
EOS-3-40885,Cc1ccnc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)nc5)c4)n23)n1,ZHWCZGCCLQPEHM-UHFFFAOYSA-N,3,1,0.427,51,441,411.429,2.629,5,0.43,0.72,1.0,0.40067507367555344,0.27905900897813724,0.1263535741210335,0.07032588582002604,0.21910338564868756
EOS-3-40886,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccn4)n23)cc1,RGMXXZOHHUGJOK-UHFFFAOYSA-N,3,1,0.495,4,744,444.386,3.27,5,0.286,0.7,1.0,0.7615653485025016,0.42885168939757384,0.45056884380782675,0.2341340552395312,0.46877998423685835
EOS-3-40887,COc1cc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)ccc1-c1ccc[nH]1,AVSMSVYBXWMAOA-UHFFFAOYSA-N,3,1,0.429,4,224,435.875,3.761,5,0.436,0.58,1.0,0.4845109999314646,0.5736755534233432,0.5269772462476869,0.4518110479062436,0.5092437118771846
EOS-3-40888,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc6ccccc6n5)cnn4)n23)cn1,VTQVZGHWTWLUOB-UHFFFAOYSA-N,3,1,0.436,19,891,464.464,3.952,6,0.341,0.66,0.929,0.6952573504214927,0.5892930573641286,0.5061767527928175,0.5415495853608389,0.5830691864848194
EOS-3-40889,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,SPVDDCURTDZHLX-UHFFFAOYSA-N,3,1,0.484,15,475,462.901,3.265,5,0.339,0.65,1.0,0.4092848331163046,0.43340929340004114,0.33280789527791105,0.2845504077856213,0.3650131073949695
EOS-3-40890,COc1ncc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1ncc(F)cn1,JANSSGFXTBGEJC-UHFFFAOYSA-N,3,1,0.485,65,657,462.42,2.947,5,0.337,0.64,1.0,0.8277191419368104,0.665487286683572,0.4137225001713385,0.3243266397094099,0.5578138921252828
EOS-3-40891,COc1ncc(-c2cccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)c(F)n1,OALBKSWLUBOXAT-UHFFFAOYSA-N,3,1,0.452,16,772,465.395,3.648,5,0.351,0.63,1.0,0.8015043519978069,0.6703961346035228,0.8137636214104585,0.72485607566308,0.752630045918717
EOS-3-40892,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccccc3C#Cc3ccc(F)cn3)n12,CBSRIZWTNPFOOV-UHFFFAOYSA-N,3,1,0.32,30,298,472.487,4.188,6,0.359,0.71,0.998,0.1431790144609691,0.3338530601055445,0.5061853197176341,0.5512130765540402,0.383607617709547
EOS-3-40893,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ncsc5C)n34)ncn2)s1,ZRGADUSUEMPRMQ-UHFFFAOYSA-N,3,1,0.411,31,194,437.514,2.795,5,0.395,0.61,0.781,0.3644883832499486,0.2330460557878144,0.005602768830100747,0.0030241244602837365,0.1515403330820369
EOS-3-40894,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c[nH]2)n1,BDHILXWMRFASCI-UHFFFAOYSA-N,3,1,0.426,37,779,451.853,3.089,5,0.418,0.56,0.996,0.5779590158316771,0.5318089918442875,0.31425193612500857,0.36327187992598176,0.44682295593173876
EOS-3-40895,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)sn1,CIZXTQGXSOPDME-UHFFFAOYSA-N,3,1,0.483,71,49,458.467,2.672,6,0.366,0.62,1.0,0.48207799328353096,0.2843362346652046,0.05151291892262354,0.05186416284010691,0.2174478274278665
EOS-3-40896,Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5C)n34)nn2)nn1,OEJGGGRVBXFXKM-UHFFFAOYSA-N,3,1,0.32,50,974,413.405,0.94,5,0.453,0.65,0.854,0.0047203755739839625,0.00954355424576794,0.011513946953601535,0.00457473785210061,0.007588153656363512
EOS-3-40897,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnc5F)nn4)n23)cn1,GRYWFQPIPXEHGW-UHFFFAOYSA-N,3,1,0.387,85,886,412.432,3.271,5,0.409,0.75,1.0,0.3715046946747995,0.4508772531012268,0.26994380097320264,0.28455897471043795,0.34422118086491676
EOS-3-40898,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)cnn1,HBKFEMZOCNLIHF-UHFFFAOYSA-N,3,1,0.446,92,65,421.371,2.234,5,0.425,0.55,1.0,0.44138510040435885,0.4059180316633541,0.3142605030498252,0.31831265848810913,0.36996907340141183
EOS-3-40899,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)ncc1F,NHOVWGSJLJJOAI-UHFFFAOYSA-N,3,1,0.529,73,469,465.851,4.462,5,0.378,0.65,1.0,0.770192241792886,0.7764032622849701,0.7709889658008361,0.7615653485025016,0.7697874545952985
EOS-3-40900,Cc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3F)n12,JMANQDFUUOCOBB-UHFFFAOYSA-N,3,1,0.446,73,564,465.851,4.462,5,0.378,0.65,1.0,0.877424439723117,0.8322767459392776,0.7686844630251525,0.7833510383112878,0.8154341717497087
EOS-3-40901,COc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3cncnc3F)n12,RDDYEYXVZRUMEZ-UHFFFAOYSA-N,3,1,0.463,58,710,462.42,2.947,5,0.337,0.62,0.998,0.832396682886711,0.6459461311767528,0.3435508189980125,0.29642416558152285,0.5295794496607498
EOS-3-40902,c1ncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cncs6)nc5)n34)ncn2)nn1,KJZSKCICFPROKC-UHFFFAOYSA-N,3,1,0.418,80,843,467.478,2.531,6,0.356,0.63,1.0,0.37151326159961623,0.419924953738606,0.12636214104585017,0.11145569186484819,0.25731401206223015
EOS-3-40903,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c(F)c1,CESHMSGOGZTGFY-UHFFFAOYSA-N,3,1,0.494,41,722,453.437,4.778,6,0.371,0.67,1.0,0.752758549790967,0.6459546981015695,0.7378435336851484,0.6658556644506888,0.7006031115070934
EOS-3-40904,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncon5)cn4)n23)cn1,GHGFSJMJGDUXBB-UHFFFAOYSA-N,3,1,0.408,80,816,453.426,2.006,6,0.364,0.59,1.0,0.3693115619217326,0.2231169899252964,0.06713042286340895,0.04794051127407306,0.17687487149612777
EOS-3-40905,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)[nH]4)n23)c1,CEDYYOUDEHHEIW-UHFFFAOYSA-N,3,1,0.341,3,192,469.871,4.493,6,0.405,0.66,0.852,0.28527002947022134,0.41993352066342265,0.6024775546569804,0.7615739154273182,0.5173137550544856
EOS-3-40906,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)c(F)cc1-c1ncnn1C,KGHKGRGSXPCKHV-UHFFFAOYSA-N,3,1,0.484,37,619,464.436,2.89,5,0.362,0.59,0.999,0.5402988143376054,0.38688232472071826,0.4955366321705161,0.41381673634432187,0.4591336268932904
EOS-3-40907,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(OC)n4)n23)ncn1,IYHOMRRQAPSMMM-UHFFFAOYSA-N,3,1,0.362,31,194,443.471,2.49,5,0.356,0.59,0.909,0.24807244191624975,0.019618257830169284,0.07365841957370982,0.03243437735590433,0.09344587416900829
EOS-3-40908,COc1cc(-c2nnc3cncc(OCc4cccc(C#N)c4)n23)ccc1-c1csc(C)n1,FTOGJOJQSSEMEF-UHFFFAOYSA-N,3,1,0.5,1,230,454.515,4.683,5,0.367,0.75,1.0,0.5723648139263929,0.504797477897334,0.7198358577205126,0.5739668288671098,0.5927412446028373
EOS-3-40909,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)nc4OC)n23)cc1F,RYHGNGSTPSVRFF-UHFFFAOYSA-N,3,1,0.337,61,768,459.441,3.188,5,0.369,0.63,1.0,0.33207113974367763,0.27391028716331983,0.3814851620862175,0.21409601809334522,0.30039065177164004
EOS-3-40910,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cn6)[nH]5)n34)cc2)c1,SZEVJMJLSIPAJG-UHFFFAOYSA-N,3,1,0.321,3,407,469.871,4.493,6,0.405,0.69,0.9,0.3194948941128093,0.4728771160304297,0.6556781577684874,0.7715629497635529,0.5549032794188198
EOS-3-40912,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,YLCGNJAAPRUJBB-UHFFFAOYSA-N,3,1,0.489,18,181,413.416,3.404,5,0.421,0.69,1.0,0.6893119045987253,0.5601226783633747,0.5269858131725036,0.5246299088479199,0.5752625762456308
EOS-3-40913,COc1cnc(OC)c(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,IBBWRPGGRZDKFC-UHFFFAOYSA-N,3,1,0.511,4,534,475.896,3.893,5,0.346,0.7,1.0,0.6920618874648756,0.8644798163251319,0.5602597491604414,0.44542868891782605,0.6405575354670687
EOS-3-40914,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)ccc2F)cn1,ZIWDGWJYPQPSDK-UHFFFAOYSA-N,3,1,0.483,13,145,450.836,5.281,5,0.37,0.75,1.0,0.860119251593448,0.8864796792543349,0.9289630594201905,0.9325183332191077,0.9020200808717703
EOS-3-40915,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(F)c([N+](=O)[O-])c4)n23)nc1,BRUCNFOXPSQPFT-UHFFFAOYSA-N,3,1,0.429,13,412,432.375,3.426,5,0.305,0.77,1.0,0.6465715166883695,0.45088582002604344,0.37395483517236655,0.1881039681995751,0.4148790350215886
EOS-3-40916,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccn4)n23)nc1,DNGLQXCKHSUUPZ-UHFFFAOYSA-N,3,1,0.44,46,160,413.416,3.67,5,0.406,0.75,1.0,0.504617572476184,0.5457816462202728,0.6084658351038311,0.544899252964156,0.5509410766911109
EOS-3-40917,CCn1nc(-c2ccnnc2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3C)n12,XDDYKSUTFPHLSC-UHFFFAOYSA-N,3,1,0.316,50,844,417.864,3.489,5,0.441,0.65,1.0,0.1266448495648002,0.2947536152422726,0.08496676033171133,0.17987115345075733,0.17155909464738536
EOS-3-40918,Cn1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1-c1cnc(CO)c(F)c1,SQZMTTMZYFENMT-UHFFFAOYSA-N,3,1,0.398,7,694,467.852,2.241,5,0.399,0.6,0.778,0.3391474196422452,0.3487595092865465,0.30678157768487424,0.3183212254129258,0.3282524330066479
EOS-3-40919,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncn4)n23)c(F)c1,VCXICNVDHCOMLK-UHFFFAOYSA-N,3,1,0.505,34,10,452.812,3.549,5,0.399,0.54,1.0,0.7928688917826057,0.910124391748338,0.6912994311561922,0.7434291686656158,0.784430470838188
EOS-3-40920,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)n1,IIMQUKZWNCIYIS-UHFFFAOYSA-N,3,1,0.5,16,256,420.433,3.126,5,0.427,0.61,1.0,0.8015129189226236,0.6801709958193407,0.2592094441779179,0.23724384894798164,0.4945343019669659
EOS-3-40921,CCn1cc(-c2cncc3nnc(-c4cnc(C)cc4-c4cncc(OC)c4)n23)cn1,LKYJZWIMBPLVMX-UHFFFAOYSA-N,3,1,0.302,82,974,412.457,3.449,5,0.436,0.77,1.0,0.10029298882873004,0.05625042834624083,0.3216451922417929,0.2079278322253444,0.17152911041052704
EOS-3-40922,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c(C)n2)cn1,FHXPNUSMARUNTB-UHFFFAOYSA-N,3,1,0.4,7,48,463.864,3.422,5,0.361,0.63,1.0,0.6585994791309712,0.69989205674731,0.23436536220958123,0.2284713179357138,0.45533205400589405
EOS-3-40923,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)cn2)cn1,SFZGSJKYTONIMK-UHFFFAOYSA-N,3,1,0.444,55,283,448.849,3.718,5,0.375,0.61,1.0,0.837451168528545,0.8391131519429785,0.6144198478514152,0.5834932492632444,0.7186193543965458
EOS-3-40924,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)c(F)c2)n1,KJZUEHFMDBUNGA-UHFFFAOYSA-N,3,1,0.418,96,46,454.387,4.738,5,0.359,0.71,1.0,0.3739205674730999,0.732540607223631,0.9758155712425468,0.9684822835994791,0.7626897573846891
EOS-3-40925,CCc1cc(-c2ccnc(F)c2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)n1,JLOXJWRDXSBHAO-UHFFFAOYSA-N,3,1,0.453,18,840,459.46,4.105,5,0.338,0.66,1.0,0.6067610170653143,0.5505962579672401,0.6556867246933041,0.6107446371050648,0.6059471592077308
EOS-3-40926,Cc1ccc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)cc1-c1ccn(C)n1,BWWLFRUHTSTDQY-UHFFFAOYSA-N,3,1,0.598,13,15,434.862,5.085,5,0.394,0.72,1.0,0.6465800836131862,0.7505739839627168,0.8871136316907683,0.8741433075183332,0.7896027516962512
EOS-3-40927,Cc1nc(-c2nnc3cncc(OCc4ncccc4C(F)F)n23)ccc1-c1cncn1C,LLHXPKZITSHATE-UHFFFAOYSA-N,3,1,0.408,31,690,448.437,3.807,5,0.39,0.58,0.516,0.45996676033171136,0.36795798780069905,0.6174354053868824,0.48867452539236517,0.4835086697279145
EOS-3-40928,Cc1[nH]ncc1COc1cncc2nnc(-c3ccc(-c4ncc(F)cn4)c(F)n3)n12,PPQCXPDWHNIDLV-UHFFFAOYSA-N,3,1,0.389,46,775,421.371,2.532,5,0.43,0.62,0.965,0.6290778562127339,0.5318175587691042,0.3067901446096909,0.27868206428620385,0.4365919059694332
EOS-3-40929,CC(C)(CO)n1cc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)cn1,YBBVBSZLLDIMLA-UHFFFAOYSA-N,3,1,0.253,50,974,413.445,2.234,5,0.466,0.71,0.986,0.09558118017956274,0.048814337605373175,0.15979028168048798,0.092454252621479,0.09916001302172572
EOS-3-40930,CCn1c(-c2c[nH]nn2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccccc3)n12,DWGLDTMWRGPQQK-UHFFFAOYSA-N,3,1,0.275,39,854,436.443,2.312,6,0.431,0.5,0.653,0.040889932149955455,0.02189705983140292,0.006896374477417586,0.014598039887601947,0.021070351586594475
EOS-3-40931,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ccn4)n23)cn1,HTPYLYKTYBOEHS-UHFFFAOYSA-N,3,1,0.536,51,48,415.392,2.46,5,0.427,0.62,1.0,0.5723733808512097,0.5506048248920568,0.23076725378658078,0.17987972037557398,0.3834062949763553
EOS-3-40932,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ncn2)cn1,BGCLFQWFXVOKKE-UHFFFAOYSA-N,3,1,0.367,7,296,429.419,2.768,5,0.416,0.53,0.923,0.6067695839901309,0.44204475361524226,0.2888510040435885,0.2109605236104448,0.3871564663148516
EOS-3-40933,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cc5F)n34)ncn2)nc1,NFIGDUQDLJHFCG-UHFFFAOYSA-N,3,1,0.391,46,842,453.8,2.944,5,0.37,0.55,0.941,0.7729422246590364,0.6364025769309849,0.5235333424713865,0.5739753957919266,0.6267133849633336
EOS-3-40934,Fc1cncc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)c1F,VGZMFOUBXPYBOU-UHFFFAOYSA-N,3,1,0.444,46,181,417.379,3.501,5,0.432,0.6,1.0,0.6712099924611061,0.50023130697005,0.7430522239736824,0.7274432869577137,0.660484202590638
EOS-3-40935,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)no1,VTVNSHIVIHOQJD-UHFFFAOYSA-N,3,1,0.462,7,390,438.81,3.311,5,0.381,0.64,1.0,0.5403073812624221,0.7094955794667946,0.24491124665889932,0.29956822698923996,0.448570608594339
EOS-3-40936,N=c1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)n[nH]1,ZRLOHMNAQRZBFR-UHFFFAOYSA-N,3,1,0.434,87,349,447.85,1.516,5,0.393,0.66,1.0,0.5981512576245631,0.5229079569597698,0.08231958056336097,0.09246281954629566,0.3239604036734974
EOS-3-40937,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccnn5-c5cc(Cl)cnn5)n34)cn2)n[nH]1,DVWWORHSRBJCDM-UHFFFAOYSA-N,3,1,0.278,99,968,455.873,3.181,6,0.429,0.51,0.055,0.043811253512439176,0.18944040847097526,0.18867795216229183,0.25781303543280104,0.16993566239462682
EOS-3-40938,Clc1ccccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)n1,VQOMSIAUZWGHFH-UHFFFAOYSA-N,3,1,0.31,3,289,456.922,4.816,6,0.378,0.67,1.0,0.05141011582482352,0.2485607566307998,0.4576108560071277,0.592582756493729,0.33754112123912006
EOS-3-40939,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)c(F)c5F)nn4)n23)cn1,FHONGJOTCWBUSG-UHFFFAOYSA-N,3,1,0.268,10,872,475.398,2.647,6,0.357,0.63,0.846,0.060037009115208005,0.21768555959152902,0.45761942293194435,0.5047375094236173,0.3100198752655747
EOS-3-40940,Cc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc(-c2ccc(Cl)cn2)n1,CJSRUSRXMKCUCQ-UHFFFAOYSA-N,3,1,0.443,51,196,465.304,4.233,5,0.38,0.6,1.0,0.6435645260777192,0.6264906449181002,0.4398259200877253,0.5047460763484339,0.5536567918579947
EOS-3-40941,COc1cc(-c2nnc3cncc(OCc4cncc(-c5ncccc5F)c4)n23)ccc1Cl,UOZUNKNJLXONII-UHFFFAOYSA-N,3,1,0.489,97,67,462.872,4.628,5,0.363,0.68,1.0,0.9380354328010417,0.9302395312178741,0.8622095812487149,0.8244637105064766,0.8887370639435268
EOS-3-40942,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1nc(C)n[nH]1,JCUWYFQWDMVKBB-UHFFFAOYSA-N,3,1,0.387,31,690,462.905,2.907,5,0.387,0.61,0.365,0.43425741895689124,0.49082482352134876,0.03341100678500446,0.04022171201425536,0.24967874031937495
EOS-3-40943,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)c(F)c1,OFEDPSNHHTZDGA-UHFFFAOYSA-N,3,1,0.547,27,51,469.402,4.324,5,0.357,0.68,1.0,0.7377321636625317,0.7505825508875335,0.9698444246453293,0.9106726749366048,0.8422079535329998
EOS-3-40944,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)nc1F,TXUNMDQECGWZPQ-UHFFFAOYSA-N,3,1,0.451,46,223,454.828,3.492,5,0.375,0.59,0.995,0.47465046946747996,0.5736841203481599,0.7092300047974779,0.7589267356589678,0.6291228325680214
EOS-3-40945,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)n(C)n1,RXCSZIHUSBYYRO-UHFFFAOYSA-N,3,1,0.404,92,986,482.508,2.156,6,0.37,0.74,1.0,0.2612226715098348,0.1412857240764855,0.018598793776985815,0.012524844081968337,0.10840800836131863
EOS-3-40946,OCc1ccc(-c2cc(F)nc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c2)cn1,FLCYJYWCASHHBV-UHFFFAOYSA-N,3,1,0.43,59,16,464.407,3.737,5,0.382,0.64,1.0,0.6406689054896855,0.6510348845178535,0.9104242341169214,0.8907374408882187,0.7732163662531697
EOS-3-40947,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)s4)n23)c(F)n1,GJNZWVFKZKIJIV-UHFFFAOYSA-N,3,1,0.478,4,875,420.433,3.126,5,0.4,0.66,1.0,0.5019875265574669,0.6220444109382496,0.15979884860530463,0.15835103831128777,0.36054545610307726
EOS-3-40948,Cc1n[nH]c(C)c1-c1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nn1C,RLQCAVRQWXKHQJ-UHFFFAOYSA-N,3,1,0.3,63,505,468.525,2.41,6,0.391,0.61,0.406,0.034987320951271335,0.045267630731272705,0.012464875608251663,0.009869097388801316,0.025647231169899254
EOS-3-40949,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccc(Cl)n5)cn4)n23)cc1,GRALUTSBWJETKL-UHFFFAOYSA-N,3,1,0.321,38,42,465.908,4.364,6,0.356,0.67,1.0,0.2612312384346515,0.23816907682818175,0.44694503461037627,0.47056404632992943,0.35422734905078473
EOS-3-40950,Clc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnoc5)c(Cl)c4)n23)cn1,XWIRNLKVLICCAE-UHFFFAOYSA-N,3,1,0.494,13,284,425.235,4.94,5,0.377,0.76,1.0,0.7872746898773216,0.7325491741484477,0.877193132753067,0.9061150709341375,0.8257830169282434
EOS-3-40951,Fc1cccc(C2(COc3cncc4nnc(-c5cc(-c6cccnc6)ccn5)n34)CC2)c1,JAYGEFPRNZEZSZ-UHFFFAOYSA-N,3,1,0.436,11,159,438.466,4.498,6,0.389,0.66,0.929,0.6093910629840312,0.6704047015283394,0.634877664313618,0.7788791035569872,0.673388133095744
EOS-3-40952,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)nn2)s1,TVSZLECSVDBSQR-UHFFFAOYSA-N,3,1,0.437,54,411,436.888,3.641,5,0.384,0.59,0.774,0.509569255020218,0.5091152080049346,0.17587039956137346,0.21096909053526147,0.3513809882804469
EOS-3-40953,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc6c5OCCO6)n34)ccn2)nc1,MJSDUUBJYCTXIR-UHFFFAOYSA-N,3,1,0.506,65,359,468.477,2.739,6,0.367,0.59,1.0,0.5866030429716949,0.20788499760126106,0.09919642245219656,0.0780532520046604,0.24293442875745325
EOS-3-40954,Cc1ccc(-c2nnc3cncc(Oc4cncc(-c5ccc(Cl)nc5)n4)n23)c(Cl)c1,QFYRJLIJYBFAGM-UHFFFAOYSA-N,3,1,0.387,13,412,450.289,5.051,5,0.354,0.76,1.0,0.7257984373929134,0.8356007127681447,0.7709975327256527,0.8100284421903914,0.7856062812692756
EOS-3-40955,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)nn2)nc1,JVDPFDRXSROAJR-UHFFFAOYSA-N,3,1,0.386,22,311,407.319,2.518,5,0.449,0.82,1.0,0.41600130217257214,0.6264992118429169,0.47487320951271333,0.6459803988760194,0.5408385306010555
EOS-3-40956,OCc1nnc(-c2cnc(Cl)c(-c3nnc4cncc(OCCc5cccnc5)n34)c2)o1,QXWBZNIFFLJGDA-UHFFFAOYSA-N,3,1,0.489,65,142,450.846,2.399,5,0.368,0.62,0.999,0.5144524021657186,0.5506133918168734,0.15651771640052087,0.18266397094099102,0.351061870331026
EOS-3-40957,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4C)n23)ccc1F,CTAXBSZPTITHSV-UHFFFAOYSA-N,3,1,0.489,26,521,446.461,4.84,5,0.373,0.69,1.0,0.7319494894112809,0.6030686724693304,0.8706308683434995,0.8167106435473922,0.7555899184428758
EOS-3-40958,CCc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cc(F)ccn1,JJYOSKBYYXPBDX-UHFFFAOYSA-N,3,1,0.469,18,501,441.47,3.966,5,0.377,0.6,0.972,0.764520937564252,0.6408573778356521,0.36258652594064833,0.35640977314783084,0.5310936536220958
EOS-3-40959,Fc1cc(-c2ccc(F)nn2)cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,MUURMYDAZBILJA-UHFFFAOYSA-N,3,1,0.566,4,554,456.865,4.82,5,0.377,0.69,1.0,0.7196987869234459,0.8133181413199918,0.8482454937975464,0.8741518744431499,0.8138535741210334
EOS-3-40960,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)nn2C)c(C)n1,PLMXFXCTNOMKIR-UHFFFAOYSA-N,3,1,0.517,95,956,449.877,4.788,5,0.392,0.72,1.0,0.4300167911726407,0.4685165512987458,0.6442841477623192,0.6341923103282846,0.5442524501404976
EOS-3-40961,N#Cc1ccc(-c2nnc3cncc(-c4cnn(Cc5ncnnc5-c5ccccn5)n4)n23)cc1,ZLIWFTIMCBTBDF-UHFFFAOYSA-N,3,1,0.348,98,63,458.449,2.217,6,0.376,0.55,0.687,0.2179082996367624,0.15657768487423754,0.09210300870399561,0.15835960523610446,0.156237149612775
EOS-3-40962,COc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnn2)c1,RGQOEAGPINWKAW-UHFFFAOYSA-N,3,1,0.533,87,778,426.44,2.668,5,0.387,0.55,1.0,0.5019960934822836,0.2688986361455692,0.25558563498046744,0.1826725378658077,0.30228822561853197
EOS-3-40963,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,UMPJPEDJEPNSEH-UHFFFAOYSA-N,3,1,0.578,75,420,414.404,2.799,5,0.418,0.66,1.0,0.8466263450071962,0.6999006236721267,0.3739634020971832,0.35013878418203004,0.5676572887396341
EOS-3-40964,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4cccnn4)ccn3)n12,NAXWHUMWVFUGBA-UHFFFAOYSA-N,3,1,0.446,18,88,414.404,2.799,5,0.418,0.66,1.0,0.6678517579329724,0.5136985127818519,0.42510794325269,0.42653005277225686,0.5082970666849428
EOS-3-40965,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)ncn2)nc1,GXEAMQPQKCOULY-UHFFFAOYSA-N,3,1,0.435,44,488,467.386,4.38,5,0.354,0.68,0.933,0.8066787745870743,0.6948033034062093,0.9747361387156467,0.9474504831745597,0.8559171749708725
EOS-3-40966,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)ncn2)cn1,MVZROUOHPRXDEZ-UHFFFAOYSA-N,3,1,0.398,44,971,450.289,5.051,5,0.378,0.72,1.0,0.5326656843259544,0.5689637447741759,0.7710060996504695,0.8077582071139744,0.6700984339661435
EOS-3-40968,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nc2C)cn1,HMIKWQVCUKRIMK-UHFFFAOYSA-N,3,1,0.396,7,564,462.876,4.027,5,0.385,0.58,0.998,0.7615739154273182,0.6408659447604688,0.5505362894935234,0.5114025769309849,0.6160946816530739
EOS-3-40969,CC#Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nc2OC)ccn1,FEQMOSJSEFVYHS-UHFFFAOYSA-N,3,1,0.43,49,393,463.501,3.645,5,0.337,0.66,1.0,0.46962168460009596,0.2176941265163457,0.4542269207045439,0.2845675416352546,0.3565275683640601
EOS-3-40970,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ncn2)n1,VNPBETUEJZXFNT-UHFFFAOYSA-N,3,1,0.451,31,395,432.835,2.369,5,0.408,0.5,0.627,0.36693852374751557,0.41541875128503875,0.10444794736481393,0.14297340826536906,0.2574446576656843
EOS-3-40971,Fc1cncc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1F,WPXOZVQWFULZOC-UHFFFAOYSA-N,3,1,0.435,2,422,417.379,3.501,5,0.432,0.63,1.0,0.7615824823521349,0.6510434514426702,0.7887225001713385,0.7666712356932356,0.7420049174148448
EOS-3-40972,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,RVLJVTOFZFYTRT-UHFFFAOYSA-N,3,1,0.5,11,503,412.428,4.009,5,0.419,0.79,1.0,0.7645295044890686,0.6607326434103215,0.672066684942773,0.7004403399355768,0.6994422931944351
EOS-3-40973,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cs1,DGMANZPYVQDVOW-UHFFFAOYSA-N,3,1,0.617,4,439,452.902,4.99,5,0.374,0.74,1.0,0.4870125419779316,0.5939962990884792,0.7249503118360633,0.7434377355904325,0.6373492221232266
EOS-3-40974,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2F)n1,OYTIPTZWFNUBSY-UHFFFAOYSA-N,3,1,0.541,4,554,452.902,4.99,5,0.374,0.74,1.0,0.8867452539236516,0.9035364265643204,0.6937924062778426,0.6949746419025427,0.7947621821670894
EOS-3-40975,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)[nH]n2)n1,OJLRGLKMMARIGB-UHFFFAOYSA-N,3,1,0.389,53,587,420.824,2.302,5,0.454,0.57,0.994,0.3715218285244329,0.3047169488040573,0.11818929477074909,0.13384963333561783,0.23206942635871428
EOS-3-40976,FCc1cncc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cnn2)c1,FHZXTWMCSKNYCQ-UHFFFAOYSA-N,3,1,0.5,16,109,431.406,3.831,5,0.404,0.55,1.0,0.7164947570420122,0.6220529778630662,0.777928174902337,0.7666798026180522,0.720788928106367
EOS-3-40977,Cc1cnc(COc2cncc3nnc(-c4cc(-c5nc(C)nn5C)ccn4)n23)cn1,JPRPNWMOFTVYRE-UHFFFAOYSA-N,3,1,0.4,7,828,414.433,1.968,5,0.425,0.68,1.0,0.135031868960318,0.04527619765608937,0.025349530532520047,0.011239805359468166,0.05422435062709889
EOS-3-40979,COc1ncncc1COc1cncc2nnc(-c3ccnc(-c4nc(C)c(F)[nH]4)c3)n12,NMTZTBRBRQUIAG-UHFFFAOYSA-N,3,1,0.432,7,239,433.407,2.402,5,0.429,0.56,1.0,0.5896528682064286,0.4728856829552464,0.18555102460420808,0.10466212048523062,0.3381879240627784
EOS-3-40980,N#Cc1cncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnc(F)c6)nc5)n34)cn2)n1,OVRTVXLDLPNLGV-UHFFFAOYSA-N,3,1,0.304,86,989,473.435,3.173,6,0.35,0.65,1.0,0.34860530463984646,0.4199420875882393,0.46451579740936194,0.4581334384209444,0.422799157014598
EOS-3-40981,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4F)n23)ccc1-c1cnnn1C,WQYPYVRBHQINQS-UHFFFAOYSA-N,3,1,0.489,16,638,474.431,3.324,5,0.368,0.67,1.0,0.6318449729285176,0.6408745116852854,0.8418460009594956,0.7302275375231307,0.7111982557741073
EOS-3-40982,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(C(F)(F)F)c5)n34)nn2)nc1,VTGGUXBWSZJAAS-UHFFFAOYSA-N,3,1,0.396,54,411,468.374,3.775,5,0.359,0.62,0.999,0.7497601261051333,0.6510520183674868,0.9392262353505586,0.8921424165581523,0.8080451990953328
EOS-3-40983,N#Cc1cccc(-c2cc(F)cc(-c3nnc4cncc(Cc5ccc(F)c(F)c5)n34)c2)c1,SGPPCZIDKBJKRZ-UHFFFAOYSA-N,3,1,0.447,57,358,441.416,5.338,5,0.378,0.75,1.0,0.5120279624426016,0.7418956891234323,0.9890943047083819,0.9934291686656158,0.8091117812350079
EOS-3-40984,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(C)c(F)c5)nn4)n23)nc1,XUXPKFKPIGYXLE-UHFFFAOYSA-N,3,1,0.366,19,348,413.416,4.192,5,0.436,0.75,1.0,0.6524998286615037,0.5940048660132958,0.602486121581797,0.5316205194983209,0.5951528339387294
EOS-3-40985,Cc1ncc(-c2cc(-c3nnc4cncc(COCc5ccc(Cl)nc5)n34)ccc2C)nn1,AQMVPKMNGOZPEY-UHFFFAOYSA-N,3,1,0.45,85,351,458.913,4.025,5,0.351,0.64,1.0,0.4115722020423549,0.3868908916455349,0.4854876293605647,0.4581420053457611,0.4355231820985539
EOS-3-40986,C#Cc1ccccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5c[nH]c(C)n5)cc4)n23)cn1,OTGOPWTVULRPHM-UHFFFAOYSA-N,3,1,0.312,38,594,454.497,4.595,6,0.391,0.66,1.0,0.1819786169556576,0.15658625179905422,0.6319306421766843,0.5955726132547461,0.39151703104653557
EOS-3-40987,COc1cc(-c2cccnn2)ccc1-c1nnc2cncc(-c3cnn(CCO)c3)n12,LZIOTGOFFWBALR-UHFFFAOYSA-N,3,1,0.322,50,336,414.429,2.113,5,0.449,0.67,1.0,0.1266534164896169,0.016439928723185525,0.2555942019052841,0.1908368172160921,0.14738109108354466
EOS-3-40988,COc1ncc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1ccc(C)nn1,HDVIXXKHCXPNAE-UHFFFAOYSA-N,3,1,0.406,55,565,460.885,3.588,5,0.35,0.65,1.0,0.527773970255637,0.5548711534507573,0.3962117058460695,0.30608765677472416,0.446236121581797
EOS-3-40989,Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5cc(Cl)ncn5)c4)n23)cc1,HSZLXVJEODEZBP-UHFFFAOYSA-N,3,1,0.518,43,97,447.861,4.323,5,0.292,0.76,1.0,0.9657922692070454,0.8919196765129189,0.7590980741553012,0.7357874717291482,0.8381493729011034
EOS-3-40990,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)nn2C)nn1,IUZWOYCBBFCSHE-UHFFFAOYSA-N,3,1,0.42,53,569,418.486,2.973,5,0.418,0.66,1.0,0.22328832842162977,0.07149955451990954,0.06713898978822562,0.057501199369474336,0.10485701802480982
EOS-3-40991,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5c(-c6ccccc6)nn(C)c5C)n34)cc2)nn1,OZWFCIBIBYYJSG-UHFFFAOYSA-N,3,1,0.342,9,598,458.529,4.933,6,0.372,0.69,1.0,0.060045576040024674,0.048822904530189844,0.3103882530326914,0.31223014186827497,0.18287171886779524
EOS-3-40992,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cnc(CO)nc4)n23)c1,GJROJYRMAMUWES-UHFFFAOYSA-N,3,1,0.402,51,905,429.444,1.931,5,0.412,0.58,0.996,0.3345384140908779,0.14129429100130217,0.1535021588650538,0.09247138647111233,0.18045156260708656
EOS-3-40993,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccnc(F)c5)n4)n23)cn1,XNXZOGRXUIMJIB-UHFFFAOYSA-N,3,1,0.435,55,390,414.404,3.065,5,0.404,0.7,1.0,0.6290864231375506,0.694811870331026,0.38517750668220135,0.32141388527174286,0.5076224213556302
EOS-3-40994,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)n1,CRDCKSFWSZLCEV-UHFFFAOYSA-N,3,1,0.462,31,986,414.433,1.702,5,0.408,0.72,1.0,0.4342659858817079,0.27391885408813654,0.028587828113220477,0.017510794325269002,0.1885708656020835
EOS-3-40995,Clc1cncc(-c2nnc(-c3ccc(-c4nnc5cncc(C6CC6)n45)cc3)o2)c1,PVYLVUNBGSVYID-UHFFFAOYSA-N,3,1,0.358,14,487,415.844,4.434,6,0.428,0.76,1.0,0.2909756013981221,0.4059265985881708,0.2627561510520184,0.46115756288122817,0.3552039784798849
EOS-3-40996,CCc1nc(-c2nnc3cncc(OCc4ccccc4C)n23)ccc1-c1cnc(F)c(C)n1,HCJYUMNMRLOYOE-UHFFFAOYSA-N,3,1,0.396,89,690,455.497,4.541,5,0.371,0.67,0.783,0.5610393393187582,0.5048060448221506,0.34355938592282914,0.26965252552943597,0.4197643238982935
EOS-3-40997,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(O)c(F)c5)n34)c2)nc1,BVNKWKHVEJKTSK-UHFFFAOYSA-N,3,1,0.429,54,348,445.414,2.559,5,0.405,0.56,0.918,0.6234750873826331,0.4957251045164828,0.6720752518675897,0.5894900966349119,0.5951913851004044
EOS-3-40998,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,VSBFOBTXVQGOEC-UHFFFAOYSA-N,3,1,0.447,26,448,449.877,4.441,5,0.381,0.62,1.0,0.6234836543074498,0.531826125693921,0.7710146665752862,0.7487492289767665,0.6687684188883558
EOS-3-40999,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)ncc1Cl,ZBSPGPVUXFQNHW-UHFFFAOYSA-N,3,1,0.522,11,275,464.863,4.801,5,0.359,0.7,1.0,0.9566599273524775,0.960129531903228,0.882478925364951,0.8990216571859365,0.9245725104516483
EOS-3-41000,Fc1cncc(-c2cc(-c3nnc4cncc(CCc5ncccc5F)n34)ncn2)c1,ZOTHSVNNKGQPBZ-UHFFFAOYSA-N,3,1,0.343,85,580,416.395,3.102,5,0.434,0.63,0.615,0.35303440477006376,0.3823161537934343,0.4212785278596395,0.5047546432732506,0.41534593242409706
EOS-3-41001,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n(C)n2)s1,MATMMGBEIOFLRY-UHFFFAOYSA-N,3,1,0.383,6,826,468.506,3.601,6,0.373,0.67,1.0,0.23442533068329793,0.18520834761154137,0.04792337742443972,0.04154958536083887,0.12727666027002948
EOS-3-41002,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)nc2F)s1,ZWROYZTZRADEQS-UHFFFAOYSA-N,3,1,0.43,19,910,455.425,4.01,5,0.37,0.67,0.974,0.6773610444794737,0.6559265985881708,0.6024946885066137,0.62533411006785,0.640279110410527
EOS-3-41003,Fc1ccc(-c2nccnc2-c2cncc3nnc(-c4cnc(-c5ccnc(F)c5)cn4)n23)cc1,LBKHKYMTHBMEMF-UHFFFAOYSA-N,3,1,0.333,64,449,465.427,4.046,6,0.359,0.62,1.0,0.31950346103762595,0.3868994585703516,0.5832619422931944,0.6570488657391542,0.48667843191008153
EOS-3-41004,Fc1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cc1,BHVBFNSKEIMUSJ-UHFFFAOYSA-N,3,1,0.329,32,572,465.427,4.046,6,0.359,0.62,0.991,0.33690288534027824,0.4288602563223905,0.6615379343430882,0.7302361044479474,0.539384295113426
EOS-3-41005,COc1ncccc1-c1ncnc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1,XATSXADIWHQHLA-UHFFFAOYSA-N,3,1,0.281,86,790,461.449,2.566,6,0.374,0.53,0.885,0.3145089438695086,0.1681858680008224,0.08000651086286066,0.057509766294291,0.1550527722568707
EOS-3-41006,c1ccc(-c2cc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)cnn2)nc1,CKZYFCFAIOKYTJ-UHFFFAOYSA-N,3,1,0.281,94,935,430.435,3.162,6,0.415,0.52,0.985,0.0835360838873278,0.08212254129257762,0.20242786649304365,0.24868926050304982,0.15419393804399972
EOS-3-41007,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)nc(C)n2)cn1,RQYYUISFCYVWML-UHFFFAOYSA-N,3,1,0.375,31,330,460.889,2.72,5,0.372,0.56,0.988,0.522513878418203,0.4908333904461654,0.06316393667329176,0.06350661366595847,0.28500445480090464
EOS-3-41008,c1nc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)c2)cs1,UDGSFRVBXDLNHU-UHFFFAOYSA-N,3,1,0.307,32,191,440.517,4.495,6,0.398,0.62,1.0,0.08354465081214447,0.15659481872387088,0.35135528750599687,0.36953430196696596,0.24025726475224451
EOS-3-41009,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cc(F)cnn5)n4)n23)cn1,NGAAVHYKGHRQLE-UHFFFAOYSA-N,3,1,0.5,4,268,414.404,3.065,5,0.432,0.67,1.0,0.5981598245493798,0.6364111438558016,0.37788705366321707,0.33403296552669454,0.4866227468987732
EOS-3-41010,c1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cn[nH]c6)cn5)n34)s2)nc1,AJVZOLFHWGQMOX-UHFFFAOYSA-N,3,1,0.29,70,687,423.465,3.762,6,0.459,0.59,0.925,0.05826365567815777,0.14872181481735317,0.20962408333904461,0.2486978274278665,0.16632684531560551
EOS-3-41011,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)c1,CVQISZBESAHEPD-UHFFFAOYSA-N,3,1,0.451,2,422,420.383,2.839,5,0.431,0.57,1.0,0.5481803851689397,0.4466880268658762,0.6413371256253855,0.5894986635597286,0.5564260503049825
EOS-3-41012,C#Cc1cnc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)ncn4)n23)cn1,TYHCPBAXRATLDK-UHFFFAOYSA-N,3,1,0.387,7,842,426.375,1.528,5,0.381,0.53,0.879,0.5456103077239394,0.4334178603248578,0.15351072578987046,0.1382787334658351,0.31770440682612566
EOS-3-41013,COc1ccc2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n(C)c2c1F,ZCZUEPMWWKGROJ-UHFFFAOYSA-N,3,1,0.356,50,243,424.386,4.43,5,0.427,0.65,0.977,0.39855904324583646,0.5984596669179632,0.9263244465766568,0.8663988074840655,0.6974354910561305
EOS-3-41014,Cc1cccc(-c2nccnc2-c2cncc3nnc(-c4cnccc4-c4cnc(C)n4C)n23)c1,NDAJTNALPBIBEA-UHFFFAOYSA-N,3,1,0.274,86,72,459.517,4.328,6,0.387,0.62,1.0,0.09803132067712973,0.016448495648002194,0.27391885408813654,0.2578216023576177,0.16155506819272153
EOS-3-41015,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c(F)c2)nc1,PSCQTKZAFIADPH-UHFFFAOYSA-N,3,1,0.387,96,46,436.372,5.131,5,0.365,0.73,0.999,0.3964258789664862,0.6408830786101021,0.9754471934754301,0.9717291481049962,0.7461213247892536
EOS-3-41017,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccn2)n1,LHUQNQXKULHOHY-UHFFFAOYSA-N,3,1,0.5,7,99,416.47,3.296,5,0.43,0.69,1.0,0.3014186827496402,0.26890720307038585,0.084975327256528,0.05751833321910767,0.17820488657391542
EOS-3-41018,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cncc(C)n4)n23)c1,DGBYECOPOGHDGW-UHFFFAOYSA-N,3,1,0.371,7,211,413.445,2.747,5,0.418,0.69,1.0,0.14882461791515317,0.04883147145500651,0.12115345075731615,0.07240764855047632,0.09780429716948805
EOS-3-41019,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cnc5Cl)n34)ccn2)cn1,KDWDZKBGTVOBEI-UHFFFAOYSA-N,3,1,0.467,75,99,448.849,3.718,5,0.375,0.59,1.0,0.8040744294428072,0.7464275923514495,0.5832705092180112,0.5642433692001919,0.674503975053115
EOS-3-41020,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c(F)c2)nn1C,RVCIGXYUFLDZEQ-UHFFFAOYSA-N,3,1,0.523,20,279,464.892,3.704,5,0.378,0.61,1.0,0.5866116098965115,0.6510605852923035,0.40711740113768763,0.4105527379891714,0.5138355835789186
EOS-3-41021,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)n1,CDPFAPMOIPQNBK-UHFFFAOYSA-N,3,1,0.506,4,0,419.445,3.731,5,0.429,0.65,1.0,0.6619063121102049,0.6948204372558426,0.43983448701254196,0.3888955520526352,0.5463641971078061
EOS-3-41022,Cn1ncc(-c2cncc3nnc(-c4scnc4-c4cccnc4)n23)c1-c1ccc(F)cc1,QEEHCHYHNYXIBO-UHFFFAOYSA-N,3,1,0.35,42,693,454.494,4.516,6,0.389,0.64,1.0,0.12666198341443355,0.2078935645260777,0.4071259680625043,0.4978497018710164,0.30988280446850797
EOS-3-41023,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c(F)c2)ccn1,CVSQCYRIOIAYQO-UHFFFAOYSA-N,3,1,0.483,97,401,451.824,4.154,5,0.371,0.64,1.0,0.74976869302995,0.8988760194640532,0.8560756630799808,0.8697656089370159,0.8436214961277501
EOS-3-41024,Cc1cc(CCOc2cncc3nnc(-c4cc(-c5ncc(F)cn5)cc(Cl)n4)n23)ccn1,VKQQCXYCSQEPBA-UHFFFAOYSA-N,3,1,0.447,18,262,462.876,3.761,5,0.351,0.64,1.0,0.772950791583853,0.7141388527174286,0.4359451031457748,0.43603933931875816,0.5897685216914537
EOS-3-41025,Fc1ncccc1-c1cncc(-c2nnc3cncc(Cc4cccc(Cl)c4)n23)c1,ULRKMXYPLYSHCM-UHFFFAOYSA-N,3,1,0.456,14,358,416.847,4.632,5,0.399,0.76,1.0,0.30927455280652455,0.4466965937906929,0.8812195874169009,0.9161812075937221,0.6383429854019601
EOS-3-41026,Cn1nc(-c2ncccn2)cc1-c1nnc2cncc(OCCc3ccncc3F)n12,ZHHREEPGMCFQJD-UHFFFAOYSA-N,3,1,0.467,65,569,417.408,2.137,5,0.413,0.63,1.0,0.3808255088753341,0.2689157699952025,0.13218764992118429,0.13593139606606813,0.22946508121444725
EOS-3-41027,Cc1nnccc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nc1,AEFRDZCXOROLKJ-UHFFFAOYSA-N,3,1,0.289,10,543,462.452,3.61,6,0.387,0.55,1.0,0.1957884997601261,0.25840415324515115,0.33980707285312867,0.41056130491398807,0.3011402576930985
EOS-3-41028,Cc1cnc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)cn1,AFQIUWSCNOQSNK-UHFFFAOYSA-N,3,1,0.473,27,69,463.423,4.607,5,0.363,0.67,1.0,0.8398584744020287,0.8672726338153657,0.8965800836131862,0.8244722774312933,0.8570458673154684
EOS-3-41029,Cc1cc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCc3ccc(C(F)F)nc3)n12,IUWXXLWXHLMLPH-UHFFFAOYSA-N,3,1,0.571,27,82,463.423,4.607,5,0.363,0.67,1.0,0.8792834624083339,0.8322853128640944,0.8590826536906312,0.7615824823521349,0.8330584778287986
EOS-3-41031,Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(C)nc5)n34)c2)nc1,LVIGBGOHWGPRQW-UHFFFAOYSA-N,3,1,0.562,89,205,409.453,3.839,5,0.435,0.86,1.0,0.5456188746487561,0.4154273182098554,0.4251165101775067,0.3153913371256254,0.42538851004043593
EOS-3-41032,N#Cc1cc(-c2nnc3cncc(OCCc4cc(F)ncc4F)n23)ccc1Cl,QHRFBMNZYQMVAA-UHFFFAOYSA-N,3,1,0.622,90,281,412.787,3.611,4,0.465,0.68,1.0,0.9683280789527791,0.9854961962853814,0.9473990816256597,0.9515283393872935,0.9631879240627784
EOS-3-41033,c1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cc1,NADUVVIVEHOCGT-UHFFFAOYSA-N,3,1,0.413,69,220,433.5,5.039,6,0.387,0.71,1.0,0.08591768898636146,0.15660338564868756,0.4716006442327462,0.5281509149475704,0.31056815845384145
EOS-3-41034,COc1cc(-c2nnc3cncc(Cc4cccc(-c5c[nH]nn5)n4)n23)ccc1-c1cnccn1,JNMSWSYZSRXBMB-UHFFFAOYSA-N,3,1,0.318,60,81,462.477,3.028,6,0.396,0.55,1.0,0.17318038516893977,0.09480159002124597,0.2739274210129532,0.21410458501816187,0.1890034953053252
EOS-3-41035,OCc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)o1,AYJPFRBUULWGEJ-UHFFFAOYSA-N,3,1,0.549,11,159,414.425,2.955,5,0.433,0.68,1.0,0.3464036049619629,0.12356932355561648,0.32889281063669384,0.2786906312110205,0.26938909259132343
EOS-3-41036,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)c(Cl)n4)n23)n1,MRPPDWGMVLKDEX-UHFFFAOYSA-N,3,1,0.433,58,237,448.849,3.452,5,0.364,0.59,1.0,0.722714344458913,0.7551230210403673,0.40713453498732094,0.4736310054142965,0.5896507264752244
EOS-3-41037,Cc1nc(-c2nncn2CF)cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,GUHVVMFUSYPUQI-UHFFFAOYSA-N,3,1,0.565,36,51,468.855,4.052,5,0.371,0.64,0.997,0.8536255225824139,0.8758224247824001,0.5335566445068878,0.604473648139264,0.7168695600027415
EOS-3-41038,Cc1cc(C#N)cnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)ncc1F,WMGHFETUISDREJ-UHFFFAOYSA-N,3,1,0.402,46,128,472.871,4.195,5,0.374,0.69,1.0,0.6465886505380029,0.7932629703241725,0.7430607908984991,0.7462048523062161,0.7322793160167227
EOS-3-41039,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)ncn1,IOQLNQXKZFYNIQ-UHFFFAOYSA-N,3,1,0.394,46,128,419.836,2.609,5,0.427,0.56,0.999,0.4555633609759441,0.5091237749297512,0.17262353505585634,0.19606264135425946,0.3333433280789528
EOS-3-41040,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)ccn4)n23)cc1,VKYZQGYYKXVPAR-UHFFFAOYSA-N,3,1,0.529,40,415,467.518,3.684,6,0.365,0.64,1.0,0.4277979576451237,0.2947621821670893,0.2664056610239188,0.22244020286477967,0.3028515009252279
EOS-3-41041,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)c1,NSSDLXQWLAIBJL-UHFFFAOYSA-N,3,1,0.512,35,393,443.898,4.227,5,0.363,0.64,1.0,0.8144832430950586,0.8644883832499486,0.6381245288191351,0.619817010485916,0.7342282914125146
EOS-3-41042,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccccc4OC)n23)c1,DCRVITUGUMUAPH-UHFFFAOYSA-N,3,1,0.532,26,309,458.497,4.444,5,0.342,0.7,0.999,0.5170653142348023,0.4059351655129875,0.6666009869097389,0.528159481872387,0.5294402371324789
EOS-3-41043,Fc1cc(F)c(F)c(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nn2)c1,MZFPUEYEBGUHSX-UHFFFAOYSA-N,3,1,0.321,10,783,471.406,3.913,6,0.36,0.64,0.787,0.04535329997943938,0.2031303543280104,0.717068741004729,0.7949249537386059,0.44011933726269614
EOS-3-41044,FC(F)c1cc(-c2nnc3cncc(OCc4ccc(-c5cncnn5)nc4)n23)ccc1Cl,STEJRZYUQJXNEU-UHFFFAOYSA-N,3,1,0.517,27,51,466.839,4.208,5,0.366,0.66,0.996,0.8774330066479337,0.9080768967171544,0.8882787334658351,0.8617041326845316,0.8838731923788636
EOS-3-41045,Cc1cn(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c(C)noc6C)nc5)n34)nc2)n1,HLYPWMJWRVVVQC-UHFFFAOYSA-N,3,1,0.313,70,968,463.505,4.229,6,0.382,0.65,0.764,0.0980398876019464,0.08870193955177849,0.13219621684600097,0.09056952916181207,0.10237689329038449
EOS-3-41046,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccccc5)n34)ncn2)c(F)nc1F,SBWQHAAPKWWCTK-UHFFFAOYSA-N,3,1,0.506,4,675,435.369,3.64,5,0.389,0.56,1.0,0.8144918100198753,0.8056593105338907,0.7908813652251387,0.7615910492769515,0.7931558837639641
EOS-3-41047,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)n1,BSMNKNCRPCDXRY-UHFFFAOYSA-N,3,1,0.325,32,191,446.449,4.511,6,0.368,0.62,1.0,0.2964327325063395,0.39149133027208555,0.5992906586251799,0.6138886985127818,0.4752758549790967
EOS-3-41048,Cc1nn(C)cc1-c1cnc(F)c(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,ORWKAAMROIITHW-UHFFFAOYSA-N,3,1,0.423,92,602,465.88,3.099,5,0.352,0.63,1.0,0.49438009732026594,0.5048146117469673,0.27393598793776985,0.27244534301966966,0.3863940100061682
EOS-3-41049,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5C(F)F)nn4)n23)cc1,SMCSNYQZNGPHIK-UHFFFAOYSA-N,3,1,0.299,98,63,471.435,3.302,6,0.376,0.59,1.0,0.16250599684737166,0.21280241244602838,0.3661589335891988,0.3437050236447125,0.27129309163182785
EOS-3-41050,N#Cc1cc(-c2cncc3nnc(-c4ccc(C(F)c5ncc(F)cn5)cc4)n23)ccc1Cl,KGONWHKAZKACHX-UHFFFAOYSA-N,3,1,0.387,96,648,459.847,4.971,5,0.376,0.69,1.0,0.4796706874100473,0.741904256048249,0.9701785347131794,0.9690048660132958,0.7901895860461928
EOS-3-41051,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsn6)cn5)n34)cn2)n1C,ZERYVUONSHYBKD-UHFFFAOYSA-N,3,1,0.301,70,392,451.519,4.081,6,0.398,0.58,1.0,0.17318895209375643,0.10416523884586389,0.21305085326571174,0.18811253512439174,0.16962939483243095
EOS-3-41052,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)cc4)n23)nn1,KOAPYLHMMPTREF-UHFFFAOYSA-N,3,1,0.342,38,270,465.908,4.364,6,0.356,0.69,1.0,0.17319751901857308,0.2231255568501131,0.47488177643753,0.5379429100130217,0.35228694057980947
EOS-3-41053,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)s1,AHEPGCQTKCVUKN-UHFFFAOYSA-N,3,1,0.404,46,564,453.89,4.385,5,0.39,0.65,1.0,0.6406774724145021,0.554879720375574,0.6260023302035501,0.6198255774107326,0.6103462751010897
EOS-3-41054,CCc1nc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)ccc1-c1cnn(C)c1,PFJOTGGEKSXRSO-UHFFFAOYSA-N,3,1,0.392,92,717,448.437,3.401,5,0.367,0.6,1.0,0.40929340004112125,0.38690802549516823,0.5269943800973202,0.4454372558426427,0.4421582653690631
EOS-3-41055,COc1ncc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)cn1,YXJKZPHEISTRTH-UHFFFAOYSA-N,3,1,0.489,92,903,413.401,2.021,5,0.408,0.7,1.0,0.389983551504352,0.22313412377492975,0.13515180590775136,0.07428380508532657,0.20563832156808992
EOS-3-41056,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cnc(Cl)nn5)n34)c2)ccn1,BDFAWGUDKIVQIE-UHFFFAOYSA-N,3,1,0.394,18,367,449.837,2.847,5,0.36,0.56,0.996,0.5584007264752244,0.5736926872729765,0.2850558563498047,0.3663816736344322,0.44588273593310945
EOS-3-41057,CCn1ncnc1CCOc1cncc2nnc(-c3cc(-c4cscn4)n(C)n3)n12,SKNWIVICSXLECM-UHFFFAOYSA-N,3,1,0.4,31,569,422.478,1.881,5,0.391,0.63,1.0,0.030001370707970668,0.003495305325200466,0.002964155986567062,0.0013964087451168528,0.009464310191213762
EOS-3-41058,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccncc5)cn4)n23)cc1Cl,BULYOTMIEQLWEI-UHFFFAOYSA-N,3,1,0.483,27,969,465.851,4.813,5,0.355,0.72,1.0,0.8015214858474402,0.8943526831608526,0.9095161400863546,0.8880816941950518,0.8733680008224248
EOS-3-41059,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5cccc(F)c5)s4)n23)cc1,IRWHBZPUOJAOTP-UHFFFAOYSA-N,3,1,0.338,64,27,470.468,4.712,6,0.368,0.75,0.985,0.1515831677061202,0.30981426906997467,0.42512507710232333,0.5985196353916798,0.3712605373175245
EOS-3-41060,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccs4)n23)c(Cl)c1F,GPJVENGLFSNTFA-UHFFFAOYSA-N,3,1,0.632,73,353,440.891,4.625,5,0.398,0.65,1.0,0.6465972174628195,0.7633901034884518,0.7043982592008773,0.7117144129943116,0.7065249982866151
EOS-3-41061,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)c(F)c4)n23)cn1,CCQRHSYZGRAANB-UHFFFAOYSA-N,3,1,0.446,77,722,464.464,4.58,6,0.368,0.69,1.0,0.6008926735658968,0.603077239394147,0.5864488383249948,0.6077290795695977,0.5995369577136591
EOS-3-41062,Fc1cccnc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nc(Cl)n1,JULYBFIAQUJQRO-UHFFFAOYSA-N,3,1,0.387,51,924,470.255,3.458,5,0.356,0.65,0.968,0.6494757042012199,0.6128606675347817,0.30328627235967376,0.4360479062435748,0.5004176375848125
EOS-3-41063,CCCc1nc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)ccc1F,IQOKYRAPNKRZHZ-UHFFFAOYSA-N,3,1,0.511,4,22,441.47,4.314,5,0.372,0.64,1.0,0.8015300527722569,0.7277773970255637,0.417603317113289,0.3759337948050168,0.5807111404290316
EOS-3-41064,CCn1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)c2ccccc21,MUNYTCVZLQUMGF-UHFFFAOYSA-N,3,1,0.267,9,339,418.464,4.285,6,0.425,0.68,1.0,0.22329689534644645,0.1681944349256391,0.5061938866424508,0.5316290864231376,0.35732857583441846
EOS-3-41065,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4ccc(C(F)F)nc4)cnn3)n12,BCFYMNCWGDTYSG-UHFFFAOYSA-N,3,1,0.45,18,207,464.411,3.737,5,0.359,0.64,0.999,0.707448084435611,0.7277859639503804,0.8017185251182236,0.7487577959015832,0.7464275923514496
EOS-3-41066,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c(Cl)n2)o1,KQGCNXHWJBKBJN-UHFFFAOYSA-N,3,1,0.429,7,94,456.253,3.221,5,0.363,0.61,0.671,0.4996059214584333,0.5548882873003906,0.1443441162360359,0.21097765746007813,0.3524539956137345
EOS-3-41067,Cc1cc(-c2nnc3cncc(Cc4cnc(-c5cccs5)cn4)n23)ccc1Cl,VOIRBZPCLOCHLA-UHFFFAOYSA-N,3,1,0.365,85,674,418.913,4.862,5,0.416,0.78,1.0,0.35787471729148107,0.48159824549379754,0.5672503598108423,0.6429819751901857,0.5124263244465767
EOS-3-41068,Cc1cnsc1COc1cncc2nnc(-c3ccnc(-c4c[nH]c(=N)cn4)c3)n12,VLYHMVKQVBKWNB-UHFFFAOYSA-N,3,1,0.477,75,99,417.458,2.4,5,0.449,0.68,1.0,0.38999211842916864,0.28434480159002123,0.09920498937701323,0.06684771434445891,0.21009740593516552
EOS-3-41069,c1ccc(-c2ncsc2-c2nnc3cncc(-c4nnc(-c5cnccn5)o4)n23)nc1,ZAJUWAYNKJKQNI-UHFFFAOYSA-N,3,1,0.292,86,944,426.425,2.817,6,0.414,0.56,1.0,0.05141868274964019,0.060105544513741345,0.02040641491330272,0.03142348022753752,0.040838530601055446
EOS-3-41070,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)nc2F)nc1,YWGKWDHOTAXROX-UHFFFAOYSA-N,3,1,0.424,73,775,470.802,3.688,5,0.358,0.64,1.0,0.7042954561030772,0.7932715372489891,0.7249588787608799,0.7615996162017682,0.7460313720786786
EOS-3-41071,Cc1cc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)ccc1-c1ccn(C)n1,QKWVYIHVKDCETP-UHFFFAOYSA-N,3,1,0.483,16,55,415.432,3.613,5,0.408,0.72,1.0,0.5508189980124735,0.5137070797066685,0.6639709409910218,0.5479319443492564,0.5691072407648551
EOS-3-41072,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnc5F)nn4)n23)cn1,AVRAYYKSBRVWIM-UHFFFAOYSA-N,3,1,0.272,86,114,463.44,3.005,6,0.359,0.56,0.723,0.187564251936125,0.24856932355561648,0.1443526831608526,0.17988828730039066,0.19009363648824618
EOS-3-41073,Fc1c(Cl)cnnc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cn1,NROAQXZBASBJNZ-UHFFFAOYSA-N,3,1,0.402,46,915,470.255,3.458,5,0.381,0.58,1.0,0.6406860393393188,0.7419128229730656,0.457627989856761,0.5955811801795627,0.6089520080871771
EOS-3-41074,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)cc(Cl)n2)c1,VBAUOSZHSHJIGX-UHFFFAOYSA-N,3,1,0.471,73,980,471.283,4.007,5,0.358,0.66,1.0,0.7165033239668289,0.6999091905969433,0.7249674456856967,0.7642296621204853,0.7264024055924886
EOS-3-41075,COc1nc(-c2ccc(Cl)nc2)ccc1-c1nnc2cncc(OCc3cncs3)n12,NRJOJYPTDOMELR-UHFFFAOYSA-N,3,1,0.466,55,710,451.899,3.946,5,0.358,0.66,1.0,0.5896614351312452,0.5984682338427798,0.3474487697895963,0.3060962236995408,0.46041866561579053
EOS-3-41076,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)cc2F)n1,OLOJBGWNKVXSNC-UHFFFAOYSA-N,3,1,0.478,73,772,450.384,3.343,5,0.376,0.57,1.0,0.9520937564251936,0.9010691522171201,0.7453995613734494,0.6890891645534919,0.8219129086423137
EOS-3-41077,Clc1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nc2)nn1,CSGXPRYWXJQNAA-UHFFFAOYSA-N,3,1,0.374,14,81,468.735,5.194,5,0.361,0.77,1.0,0.3985676101706531,0.5737012541977932,0.8482540607223631,0.9193595367007059,0.6849706154478787
EOS-3-41078,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nc5)n4)n23)nc1,FEYSABQNQQZVCB-UHFFFAOYSA-N,3,1,0.411,46,348,413.416,3.67,5,0.406,0.74,1.0,0.5610479062435748,0.5689723116989925,0.5201237063943527,0.46429305736412857,0.5286092454252621
EOS-3-41079,N#Cc1ncc(-c2cccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)c2)cn1,LUIAOVKPPUUBAV-UHFFFAOYSA-N,3,1,0.286,30,498,472.447,3.778,6,0.376,0.61,0.999,0.20978685491056132,0.31489445548625866,0.5404787197587554,0.6225412925776164,0.42192533068329796
EOS-3-41080,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(OC)n1,GVOPZZQBTMXJCR-UHFFFAOYSA-N,3,1,0.459,26,456,460.473,3.234,5,0.348,0.61,0.999,0.5144609690905353,0.3629806044822151,0.26995236789801935,0.17684702899047358,0.3310602426153108
EOS-3-41081,Clc1csc(COc2cncc3nnc(-c4ccc(-c5ncccn5)s4)n23)c1,IAJCOPYUHFBBEZ-UHFFFAOYSA-N,3,1,0.464,46,242,426.914,4.604,5,0.408,0.69,1.0,0.5196439586046193,0.5318346926187376,0.29955966006442325,0.372883969570283,0.4309805702145158
EOS-3-41082,Cc1cc(F)cc(CCOc2cncc3nnc(-c4cnnc(-c5ccncc5F)c4)n23)n1,BMWNEMQFDDFHSY-UHFFFAOYSA-N,3,1,0.443,87,778,446.421,3.246,5,0.392,0.55,0.973,0.7759492152696867,0.6128692344595984,0.5270029470221369,0.5181533136865191,0.6084936776094853
EOS-3-41083,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nncs1,VMPLGEOFWKFCPM-UHFFFAOYSA-N,3,1,0.442,49,501,450.459,2.869,5,0.369,0.56,0.999,0.6377304502775684,0.504823178671784,0.1758789664861901,0.14060893701596874,0.3647603831128778
EOS-3-41084,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5c[nH]nn5)n4)n23)c1F,IMMNWEUBDLFPJN-UHFFFAOYSA-N,3,1,0.273,39,176,454.404,3.374,6,0.43,0.5,0.238,0.18464293057364128,0.21770269344116236,0.4398430539373586,0.5316376533479542,0.3434565828250291
EOS-3-41085,Cc1cccc(-c2cc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)cnn2)n1,CUSRZMRKDVKOEC-UHFFFAOYSA-N,3,1,0.396,13,251,417.379,4.022,5,0.436,0.67,0.992,0.5866201768213282,0.6220615447878829,0.7354105270372148,0.7144386950860119,0.6646327359331093
EOS-3-41086,Clc1ccc(C#CCCc2cncc3nnc(-c4ccc(Oc5ccncc5)cc4)n23)nn1,QJGPOYPSYFELQZ-UHFFFAOYSA-N,3,1,0.427,14,886,453.893,4.406,5,0.364,0.66,1.0,0.5095778219450346,0.5689808786238092,0.6084744020286478,0.6107532040298814,0.5744465766568433
EOS-3-41087,Cn1cncc1-c1cccc(-c2nnc3cncc(COCc4cnc(Cl)c(F)c4)n23)c1,OJNFAFFBYWKSEI-UHFFFAOYSA-N,3,1,0.455,14,351,449.877,4.096,5,0.363,0.62,1.0,0.40716023576177096,0.38232472071825097,0.795002056061956,0.7738760194640532,0.5895907580015077
EOS-3-41088,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,KNSGTYIPSGJYEV-UHFFFAOYSA-N,3,1,0.724,88,876,466.879,4.745,5,0.361,0.7,1.0,0.970289904735796,0.9581848399698444,0.9045044890686039,0.9026026317593037,0.9338954663833869
EOS-3-41089,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(Cl)cn5)s4)n23)nc1,YWSULKLWBAPYAS-UHFFFAOYSA-N,3,1,0.427,46,775,435.9,4.246,5,0.407,0.59,0.999,0.6206051675690494,0.6408916455349187,0.269960934822836,0.2964327325063395,0.4569726201082859
EOS-3-41090,CCCOc1ncc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc1C,FSGPJCASUJTRSN-UHFFFAOYSA-N,3,1,0.477,90,555,412.4,3.536,4,0.429,0.77,1.0,0.6586080460557878,0.5229165238845864,0.509723459666918,0.3632804468507984,0.5136321191145227
EOS-3-41091,Cn1nc(-c2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccc4F)n23)cc1-c1ccnnc1,ITBWBRKNIBHYPT-UHFFFAOYSA-N,3,1,0.307,3,572,467.443,3.989,6,0.362,0.65,1.0,0.15958467548488794,0.2843533685148379,0.7430693578233157,0.7487663628263999,0.4839434411623603
EOS-3-41092,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)nn1,NOPWMWYDOASBSY-UHFFFAOYSA-N,3,1,0.448,87,838,444.886,3.622,5,0.366,0.59,1.0,0.5723819477760264,0.6704132684531561,0.3362175313549448,0.3469176204509629,0.4814825920087725
EOS-3-41093,Fc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)nn2)c1F,CAPKZYPYZBCWGJ-UHFFFAOYSA-N,3,1,0.302,3,783,457.469,5.046,6,0.371,0.73,1.0,0.060054142964841344,0.25339250222740045,0.792834624083339,0.8462408333904462,0.4881305256665067
EOS-3-41094,Fc1cc(F)c(Oc2cncc3nnc(-c4cc(-c5cccc(Cl)n5)ncn4)n23)c(F)c1,KAMKRAULINEILO-UHFFFAOYSA-N,3,1,0.351,44,971,455.787,4.506,5,0.368,0.65,0.994,0.7583613186210678,0.780583921595504,0.8882873003906517,0.9061236378589541,0.8333390446165445
EOS-3-41095,Cn1cnnc1-c1cc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccn2)no1,PDLNCUAZFNFLMU-UHFFFAOYSA-N,3,1,0.455,75,359,467.453,2.048,6,0.339,0.68,1.0,0.35539030909464736,0.1768384620656569,0.028596395038037146,0.023910287163319853,0.1461838633404153
EOS-3-41096,Fc1cc(F)c(F)c(-n2cc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)nn2)c1,OJYUVMAGYGPONY-UHFFFAOYSA-N,3,1,0.27,10,783,471.406,3.913,6,0.36,0.63,0.324,0.048266054417106435,0.16820300185045575,0.7170773079295456,0.8014443835240902,0.4337476869302995
EOS-3-41097,Cn1nc(-c2ccc(F)cn2)cc1-c1nnc2cncc(OCCc3cncc(Cl)n3)n12,FJLGIOPWBMXZJG-UHFFFAOYSA-N,3,1,0.385,31,279,451.853,2.791,5,0.387,0.54,0.998,0.41828867109862244,0.3823332876430676,0.18555959152902474,0.26089712836680146,0.311769669659379
EOS-3-41098,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cc2F)nc1,MFYLQDRCIWPFFA-UHFFFAOYSA-N,3,1,0.35,3,192,472.39,4.383,6,0.372,0.66,1.0,0.4230090466726064,0.5365293674182715,0.8191093824960592,0.8284558974710438,0.6517759235144952
EOS-3-41099,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)c(F)n1,FVMVINDMPWAZDV-UHFFFAOYSA-N,3,1,0.427,51,435,415.392,2.46,5,0.399,0.69,1.0,0.6435730930025358,0.6801795627441574,0.2739445548625865,0.22512165033239667,0.4557047152354191
EOS-3-41100,Fc1ncccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cn4)n23)cn1,XZFJCGVWSURUGG-UHFFFAOYSA-N,3,1,0.248,70,664,470.859,3.684,6,0.358,0.62,0.698,0.011582482352134878,0.14130285792611885,0.49222123226646564,0.5545970118566239,0.2999258961003358
EOS-3-41101,Cc1cc(-c2nnc3cncc(OCc4nc(-c5cncc(C#N)c5)ncc4F)n23)ccn1,YSCLVJPDSQNFQN-UHFFFAOYSA-N,3,1,0.457,7,85,439.414,2.937,5,0.406,0.54,1.0,0.667860324857789,0.6220701117126997,0.4469536015351929,0.39801076005756975,0.5337236995408128
EOS-3-41102,Cc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)ccn1,QEZGLHMJIXJUOR-UHFFFAOYSA-N,3,1,0.563,75,583,441.47,4.021,5,0.393,0.61,1.0,0.8040829963676239,0.6409002124597355,0.4716092111575629,0.38241895689123434,0.5747528442190392
EOS-3-41103,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1F,IHNIGQAQSJFUEF-UHFFFAOYSA-N,3,1,0.524,16,772,453.84,4.097,5,0.398,0.57,1.0,0.9022685216914537,0.8555102460420807,0.8191179494208759,0.8264769378383935,0.8508434137482009
EOS-3-41104,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)ccn1,KPUPIDQYWZQGNG-UHFFFAOYSA-N,3,1,0.505,75,359,450.865,3.396,5,0.366,0.57,1.0,0.7557141388527174,0.6409087793845522,0.4469621684600096,0.4643016242889452,0.5769716777465561
EOS-3-41105,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c2)ccc1F,FMJMLOBZSMZXKR-UHFFFAOYSA-N,3,1,0.511,43,418,446.873,4.928,5,0.381,0.7,1.0,0.6862192447399081,0.7889880748406553,0.85003598108423,0.8617126996093483,0.7967390000685355
EOS-3-41106,Fc1ccnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)c1F,VUBBTKLEJFFDJI-UHFFFAOYSA-N,3,1,0.554,34,71,456.865,4.82,5,0.377,0.74,1.0,0.8887499143307518,0.9407854156671921,0.7502484408196833,0.8284644643958604,0.8520620588033719
EOS-3-41107,Cc1cc(-c2cnnc(COc3cncc4nnc(-c5cncn5C)n34)c2)nc(C)n1,BRMASJCTNDTJNZ-UHFFFAOYSA-N,3,1,0.354,92,105,414.433,1.968,5,0.425,0.66,1.0,0.048274621341923105,0.007384689191967652,0.06121924473990816,0.03143204715235419,0.03707765060653828
EOS-3-41108,COCc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cn2)no1,VVHIJWUEVAISSZ-UHFFFAOYSA-N,3,1,0.485,87,304,464.873,3.053,5,0.338,0.67,1.0,0.5250839558632033,0.5689894455486258,0.11819786169556576,0.14061750394078543,0.33822219176204504
EOS-3-41109,O=C(O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccncc5)ccc4F)n23)cc1,NJAFNFIYLVWPRB-UHFFFAOYSA-N,3,1,0.461,96,558,411.396,4.358,5,0.472,0.82,1.0,0.2880285792611884,0.1413114248509355,0.8590912206154478,0.807766774038791,0.5240494996915908
EOS-3-41110,Cn1cc(-c2cncc3nnc(-c4cnn(-c5ccc(F)cc5)c4)n23)c(C(F)F)n1,XTDBIQSUCDNFIG-UHFFFAOYSA-N,3,1,0.389,22,844,410.363,3.454,5,0.454,0.76,0.885,0.00023987389486669866,0.060114111438558014,0.7568449729285176,0.7383061476252485,0.3888762764717977
EOS-3-41111,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)n1,QCWSTQIYCFOWBS-UHFFFAOYSA-N,3,1,0.505,65,578,417.408,2.435,5,0.418,0.68,1.0,0.7134106641080118,0.7095041463916113,0.23437392913439792,0.20199952025221027,0.4648220649715578
EOS-3-41112,N#Cc1nc(-c2nnc3cncc(OCc4cc(F)nc(F)c4)n23)ccc1-c1cnccn1,INJMHUJVLKMGQT-UHFFFAOYSA-N,3,1,0.411,46,565,443.377,2.767,5,0.377,0.55,1.0,0.7788191350832705,0.69991775752176,0.6290093208142006,0.5835018161880612,0.672812007401823
EOS-3-41113,COc1ccc(F)cc1COc1cncc2nnc(-c3cc(-c4cc(C)on4)nc(C#N)n3)n12,ADQQRPSIRCWIEQ-UHFFFAOYSA-N,3,1,0.388,46,531,458.413,3.143,5,0.373,0.59,0.999,0.5981683914741964,0.49084195737098213,0.39987834966760333,0.2995767939140566,0.4471163731067096
EOS-3-41114,CCc1cc(-c2nnc3cncc(-c4ccc(C(F)F)cn4)n23)c(OC)cc1Cl,MVACGOMGMJWTAO-UHFFFAOYSA-N,3,1,0.357,68,861,415.831,5.015,4,0.458,0.78,0.998,0.4461397436776095,0.6080717565622644,0.9504146391611267,0.9182629703241725,0.7307222774312933
EOS-3-41115,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)nc2)cs1,DRRIVCASTFDGPN-UHFFFAOYSA-N,3,1,0.439,18,265,467.917,4.427,5,0.365,0.71,0.948,0.7043040230278939,0.7048865739154273,0.5335652114317044,0.5379514769378384,0.6201768213282159
EOS-3-41116,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)c(F)c1,PPFVXQZDYJIVGB-UHFFFAOYSA-N,3,1,0.5,34,520,467.867,4.58,5,0.363,0.71,1.0,0.7759577821945035,0.8585086697279145,0.8054622712631074,0.8346412171886779,0.8186424850935508
EOS-3-41117,NC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5nc(-c6ccccc6)no5)n4)n23)s1,WTOVYCYXTVNVLO-UHFFFAOYSA-N,3,1,0.316,10,77,468.462,2.521,6,0.397,0.55,0.086,0.11873757795901584,0.07510622986772668,0.014795079158385306,0.015137756151052019,0.055944160784044954
EOS-3-41118,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)ccn1,OUAPQBJCCPVDGZ-UHFFFAOYSA-N,3,1,0.368,99,502,465.481,3.053,6,0.365,0.63,1.0,0.30928311973134126,0.18521691453635802,0.06714755671304229,0.05187272976492358,0.1533800801864163
EOS-3-41119,N#Cc1cncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ccc2F)n1,VLFRMIBCTLQGTN-UHFFFAOYSA-N,3,1,0.5,73,401,476.834,4.026,5,0.373,0.69,1.0,0.8646425878966486,0.9617315468439449,0.8387019395517785,0.8583201973819478,0.88084906791858
EOS-3-41120,Cc1cc(Oc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)ccc1Cl,OVYKTNHUYOLERQ-UHFFFAOYSA-N,3,1,0.433,44,971,433.834,4.537,5,0.384,0.65,1.0,0.7288996641765472,0.704895140840244,0.8017270920430403,0.8077753409636077,0.7608243095058598
EOS-3-41121,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)n5)n(C)n4)n23)n(C)n1,AAORDFYYNZFTQZ-UHFFFAOYSA-N,3,1,0.379,95,662,453.869,3.0,5,0.377,0.63,0.813,0.32967240079501064,0.3585343705023645,0.2130594201905284,0.21944177917894592,0.28017699266671237
EOS-3-41122,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)c1,TWACCKRNJZDADT-UHFFFAOYSA-N,3,1,0.557,84,884,464.863,4.801,5,0.359,0.72,1.0,0.8990987595092865,0.9035449934891372,0.9033736549928038,0.9161897745185388,0.9055517956274416
EOS-3-41123,CCc1nc(-c2nnc3cncc(OCCc4cnc(C)c(F)c4)n23)ccc1-c1nccn1C,NTDHWGGLWIHWNO-UHFFFAOYSA-N,3,1,0.422,31,690,458.501,3.613,5,0.368,0.6,0.913,0.5377630045918717,0.43342642724967445,0.1789973271194572,0.13166506750736756,0.32046295661709273
EOS-3-41124,CCn1cc(Cc2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)nc4)n23)c(C)n1,VNOKLXJHCZEOJP-UHFFFAOYSA-N,3,1,0.287,85,60,448.494,3.307,6,0.395,0.57,0.996,0.0712682475498595,0.10104687821259681,0.09648070728531287,0.0984939346172298,0.09182244191624975
EOS-3-41125,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1,JOAGAZJQEAYHEI-UHFFFAOYSA-N,3,1,0.517,15,563,463.904,4.309,5,0.373,0.64,1.0,0.6406946062641354,0.6948290041806593,0.6233637173600165,0.6044822150640806,0.640842385717223
EOS-3-41126,CCn1cnnc1-c1cncc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)c1,GOLCBCIEXDFWGJ-UHFFFAOYSA-N,3,1,0.429,92,36,417.408,2.578,5,0.388,0.66,1.0,0.44614831060242616,0.38234185456788433,0.25233020355013364,0.2341426221643479,0.328740747721198
EOS-3-41127,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cnc4F)n23)nn1,ZXONICONQXMNJO-UHFFFAOYSA-N,3,1,0.406,53,411,435.398,2.276,5,0.374,0.54,0.347,0.592557055719279,0.41543588513467206,0.3289013775615105,0.3243352066342266,0.41530738126242206
EOS-3-41128,COc1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)ccc1-c1cc(C)nn1C,UOYKSIGPOLNREC-UHFFFAOYSA-N,3,1,0.467,13,209,446.898,4.955,5,0.38,0.75,1.0,0.44364676855595914,0.5002398738948667,0.6883524090192584,0.6044907819888973,0.5591824583647454
EOS-3-41129,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5cscn5)s4)n23)cc1Cl,RKAULCVPJKDICA-UHFFFAOYSA-N,3,1,0.554,4,391,462.347,4.652,5,0.375,0.73,1.0,0.6435816599273525,0.8133267082448085,0.28506442327462134,0.4825577410732643,0.5561326331300117
EOS-3-41131,Cc1nc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nn2)no1,JVYLDZSAIHZEEG-UHFFFAOYSA-N,3,1,0.411,6,363,464.449,2.976,6,0.359,0.64,1.0,0.36013638544308135,0.3338616270303612,0.04165238845863889,0.05188129668974025,0.19688292440545543
EOS-3-41132,Fc1cc(Cl)cc(COc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)c1,MEBAZDKINGSETM-UHFFFAOYSA-N,3,1,0.481,59,16,437.887,5.286,5,0.374,0.77,1.0,0.6407031731889521,0.6220786786375163,0.8860084983894181,0.9094733054622712,0.7645659139195394
EOS-3-41133,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)c(F)n1,PKPOILGCFDJTBQ-UHFFFAOYSA-N,3,1,0.474,87,76,437.435,3.605,5,0.375,0.61,1.0,0.6862278116647248,0.6409173463093688,0.5927969296141457,0.5675502021794256,0.6218730724419161
EOS-3-41134,Fc1cc(F)cc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cccnc6F)cn5)n34)nn2)c1,XTELQUHNSLFHDL-UHFFFAOYSA-N,3,1,0.302,10,872,472.394,3.308,6,0.359,0.61,0.896,0.013295867315468439,0.1375676787060517,0.6084829689534644,0.6890977314783086,0.3621110616133233
EOS-3-41135,Cc1cncc(-c2cnc(-c3nnc4cncc(OCc5nc(C)cs5)n34)cc2F)n1,YCRKOTPTDLLMOJ-UHFFFAOYSA-N,3,1,0.433,7,464,434.46,3.435,5,0.414,0.57,1.0,0.47728908231101363,0.46423308889041187,0.1629514769378384,0.14062607086560208,0.3112749297512165
EOS-3-41136,Cc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cnn2)nn1C,SFYIZIPZBHHSOO-UHFFFAOYSA-N,3,1,0.287,86,719,447.466,2.809,6,0.401,0.51,0.67,0.04985093550818998,0.04528476458090604,0.1504180659310534,0.12738160509903365,0.09323384277979577
EOS-3-41137,COc1ncc(-c2nnc3cncc(-c4nc(CC#N)nc(C(F)F)n4)n23)nc1F,ZNOKBJKNAXVFLX-UHFFFAOYSA-N,3,1,0.281,68,542,414.311,1.585,4,0.472,0.6,0.072,0.44840997875402644,0.5737098211226098,0.06939209101500925,0.060516756904941404,0.2880071619491467
EOS-3-41138,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4coc(-c5ccsc5)n4)n23)cn1,FIEXAZITPHJYIA-UHFFFAOYSA-N,3,1,0.447,80,34,456.491,3.882,6,0.371,0.64,1.0,0.3808340758001508,0.2790675759029539,0.16296004386265506,0.12532554314303337,0.23704680967719827
EOS-3-41139,Cc1cc(-c2nnc3cncc(OCc4cncc(F)n4)n23)cc(-c2ccccc2)n1,ORVSPOAKZWNIJQ-UHFFFAOYSA-N,3,1,0.456,4,700,413.416,3.67,5,0.434,0.71,1.0,0.5836731546843945,0.5457902131450895,0.47161777808237954,0.44864128572407647,0.5124306079089851
EOS-3-41140,Clc1cc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)ccc1-c1nnco1,LPVUHXNEWNCXAK-UHFFFAOYSA-N,3,1,0.316,64,27,452.865,4.619,6,0.381,0.65,1.0,0.2665255979713522,0.3291926530052772,0.4469707353848263,0.5804091563292441,0.40577453567267496
EOS-3-41141,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccncc5)n34)cn2)c(C)n1,AXTLVEHJSRGUQH-UHFFFAOYSA-N,3,1,0.448,55,567,410.441,3.234,5,0.435,0.79,1.0,0.4845195668562813,0.3292012199300939,0.28157768487423757,0.18531115070934137,0.32015240559248853
EOS-3-41142,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)cn1,ICRHMJKIYCDKBM-UHFFFAOYSA-N,3,1,0.615,68,255,455.774,5.375,4,0.378,0.8,1.0,0.9628452470701118,0.9702213693372627,0.9988862997738331,0.9970272770886163,0.982245048317456
EOS-3-41143,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncnnc4-c4ccsc4)n23)cc1,KYQUMLLNCHTNNQ-UHFFFAOYSA-N,3,1,0.451,71,415,468.506,3.079,6,0.363,0.61,1.0,0.45773079295456104,0.33387019395517786,0.10686382016311424,0.11388869851278186,0.25308837639640874
EOS-3-41144,Cc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)o2)c1,YEPFZWBXFXZEAA-UHFFFAOYSA-N,3,1,0.352,93,107,430.471,5.484,6,0.368,0.87,1.0,0.21791686656157905,0.21281097937084503,0.5960180933452128,0.6459889658008361,0.4181837262696183
EOS-3-41145,Clc1ccc(-c2nnc3cncc(OCc4ncncc4-c4ccccc4)n23)c(Cl)c1,BGHUXVQRQJGIPT-UHFFFAOYSA-N,3,1,0.566,57,700,449.301,5.134,5,0.37,0.75,1.0,0.7583698855458845,0.92533925022274,0.8228616955657597,0.8867966554725516,0.848341871701734
EOS-3-41146,Fc1cccc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)c2)c1,DLQKDVXTKRUIMN-UHFFFAOYSA-N,3,1,0.575,57,962,432.405,5.455,5,0.37,0.84,1.0,0.9407682818175588,0.9592128709478446,0.9824977725995476,0.9855390309094647,0.9670044890686038
EOS-3-41147,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(Cl)c4)n23)n1,HHPQCSBDJOBKET-UHFFFAOYSA-N,3,1,0.588,4,92,440.941,4.912,5,0.386,0.75,1.0,0.6040024672743473,0.7186536220958125,0.30679871153450755,0.3532485778904804,0.49567584469878695
EOS-3-41148,Cc1ncc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)nn1,UAHXFERBEVAKFX-UHFFFAOYSA-N,3,1,0.5,40,120,474.488,3.383,6,0.354,0.62,1.0,0.4671030087039956,0.40594373243780413,0.14436125008566925,0.13385820026043452,0.28781654787197586
EOS-3-41149,CCc1nc(-c2nnc3cncc(OCc4nccnc4C)n23)ccc1-c1cncn1C,AVMDEBUWGVVNBU-UHFFFAOYSA-N,3,1,0.383,31,690,427.472,2.827,5,0.407,0.55,0.184,0.2556456034541841,0.13046569803303407,0.053594681653073815,0.02864779658693715,0.11708844493180728
EOS-3-41150,Cc1ccc(-c2nnc3cncc(Cc4cccc(-c5cc(F)ccc5F)n4)n23)cn1,AVLMHRROOREGQK-UHFFFAOYSA-N,3,1,0.391,14,358,414.419,4.426,5,0.435,0.73,1.0,0.34861387156466317,0.5048317455966006,0.8119560002741416,0.8186467685559592,0.6210120964978412
EOS-3-41151,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(F)cc(-c5cncc(F)c5)c4)n23)n1,FFRIKBGBUQXFMQ-UHFFFAOYSA-N,3,1,0.517,37,141,467.867,4.14,5,0.373,0.69,1.0,0.569837571105476,0.6409259132341855,0.7198444246453293,0.792577616338839,0.6807963813309574
EOS-3-41152,CCn1cc(-c2cc(F)cc(-c3nnc4cncc(Oc5ncc(Cl)cc5F)n34)c2)cn1,OREJOGCQXBRMSM-UHFFFAOYSA-N,3,1,0.385,13,706,453.84,4.794,5,0.38,0.73,1.0,0.459975327256528,0.5601312452881914,0.8035175793297238,0.7993197861695566,0.6557359845109999
EOS-3-41153,CCc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(OC)nc5)n34)cnn2)c1,YINAEJOLVSTTLO-UHFFFAOYSA-N,3,1,0.457,92,879,440.467,3.188,5,0.376,0.56,1.0,0.4006836406003701,0.22314269069974643,0.347457336714413,0.19362963470632583,0.29122832568021384
EOS-3-41154,CCn1cncc1-c1cc(OC)cc(-c2nnc3cncc(OCc4ccc(C)nc4C)n23)c1,NTRFJUOUSBEPMR-UHFFFAOYSA-N,3,1,0.479,26,448,455.522,4.274,5,0.362,0.69,0.999,0.38084264272496743,0.11088170790213145,0.43595367007059144,0.2194503461037626,0.28678209170036323
EOS-3-41155,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cccc(Cl)n5)nc4)n23)nc1,UOKWVYXSGMPVIT-UHFFFAOYSA-N,3,1,0.36,52,647,482.935,3.78,6,0.366,0.74,0.815,0.11593619354396546,0.15263689945857034,0.17263210198067303,0.2669025426632856,0.1770269344116236
EOS-3-41156,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)s2)n1,ANDQURFXCLVIFX-UHFFFAOYSA-N,3,1,0.351,76,368,458.507,4.634,6,0.38,0.65,1.0,0.1377475841272017,0.35342848331163046,0.36992838050853266,0.4010862860667535,0.3155476835035296
EOS-3-41157,Fc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ncc(F)cc4F)n23)c(F)c1,LUFFOBYTGYAGOW-UHFFFAOYSA-N,3,1,0.511,73,877,453.359,3.779,5,0.374,0.58,1.0,0.8040915632924406,0.8728325680213831,0.7908899321499554,0.8364916729490782,0.8260764341032143
EOS-3-41158,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)cn2)c(F)c1,FHPJPGJYFZVRSJ-UHFFFAOYSA-N,3,1,0.36,45,533,437.812,5.591,5,0.369,0.84,1.0,0.40069220752518675,0.737312384346515,0.9844510314577479,0.9931378932218491,0.7788983791378248
EOS-3-41159,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)nc2F)n1,DMWIGNOXHSRDFE-UHFFFAOYSA-N,3,1,0.44,31,773,422.449,2.804,5,0.388,0.63,0.646,0.49199849222123226,0.42437118771845656,0.13516037283256802,0.13167363443218422,0.2958009218011103
EOS-3-41160,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1ccc(Cl)nn1,WXITXVRQLIOLAP-UHFFFAOYSA-N,3,1,0.548,34,712,468.279,4.668,5,0.37,0.71,1.0,0.9292286340895072,0.9634620656569118,0.8354036734973613,0.8839524364334178,0.9030117024192995
EOS-3-41161,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc2F)nc1,UWSFCZGFQANTGW-UHFFFAOYSA-N,3,1,0.394,58,602,467.827,2.986,5,0.347,0.6,0.989,0.767587896648619,0.7721112329518196,0.2923377424439723,0.3759423617298335,0.5519948084435611
EOS-3-41162,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,NMBKPGIQIXNROM-UHFFFAOYSA-N,3,1,0.537,75,496,413.416,3.404,5,0.394,0.76,1.0,0.8601278185182647,0.8171389897882256,0.5571328216023577,0.5281680487972038,0.690641919676513
EOS-3-41163,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccnc(-c4csnn4)c3)n12,JAYGHPRRAMGXGT-UHFFFAOYSA-N,3,1,0.529,75,265,454.878,3.514,5,0.384,0.6,0.995,0.5925656226440956,0.6313909259132342,0.47489034336234665,0.5379600438626551,0.5592017339455828
EOS-3-41164,CCn1ccnc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c1,XIPPCPSFAFVQHL-UHFFFAOYSA-N,3,1,0.667,43,11,448.889,5.046,5,0.363,0.74,1.0,0.7134192310328284,0.694837571105476,0.8283616612980604,0.8167192104722089,0.7633344184771435
EOS-3-41165,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncccc1F,GTDLGEBQMPOJQR-UHFFFAOYSA-N,3,1,0.402,46,122,462.876,3.972,5,0.373,0.6,0.972,0.5954698101569461,0.6364197107806182,0.3032948392844904,0.3564183400726475,0.4729006750736756
EOS-3-41166,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4Cl)n23)cn1,LTGDBWYZPPCCAW-UHFFFAOYSA-N,3,1,0.294,98,314,472.925,3.821,6,0.38,0.68,1.0,0.08355321773696114,0.18105338907545748,0.2778082379549037,0.3792920293331506,0.23042671852511826
EOS-3-41167,c1cnnc(-c2n[nH]c(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,MGYRDLSYRYPEQI-UHFFFAOYSA-N,3,1,0.406,56,425,438.415,1.73,6,0.392,0.55,1.0,0.45557192790076073,0.38691659241998494,0.05360324857789048,0.05063909259132342,0.2366827153724899
EOS-3-41168,COc1ncc(F)cc1-c1cnnc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,ARJAHHFVTLEQGM-UHFFFAOYSA-N,3,1,0.453,18,87,462.42,2.947,5,0.36,0.58,1.0,0.6773696114042903,0.5002484408196833,0.5235419093962032,0.45181961483106026,0.5382448941128093
EOS-3-41169,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(Cl)cn5)nc4)n23)cc1,FUAVSVTXWDAHCO-UHFFFAOYSA-N,3,1,0.426,89,310,484.907,3.981,6,0.384,0.79,1.0,0.6740370776506065,0.5048403125214174,0.2060345418408608,0.2609056952916181,0.4114544068261258
EOS-3-41170,Clc1ncnc(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,UCOFHOGASYPFQT-UHFFFAOYSA-N,3,1,0.33,30,20,462.904,5.026,6,0.339,0.79,0.999,0.25328113220478377,0.32920978685491054,0.5771194571996436,0.6658642313755054,0.45636865190871084
EOS-3-41171,Fc1cncc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c1,ONQXEMAPQGEUEG-UHFFFAOYSA-N,3,1,0.43,18,429,465.851,4.196,5,0.347,0.67,1.0,0.8169933520663423,0.7721197998766363,0.807612569392091,0.8462494003152629,0.8107437804125831
EOS-3-41172,Cc1cccc(-c2ncncc2-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)n1,GQTHPHQANKFZEH-UHFFFAOYSA-N,3,1,0.302,32,301,460.476,4.82,6,0.372,0.68,0.715,0.23721814817353162,0.3487680762113632,0.6144284147762319,0.6459975327256527,0.46160304297169485
EOS-3-41173,COc1ccc(-c2ncc(C)s2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,SITODIQVNNJKSZ-UHFFFAOYSA-N,3,1,0.585,1,709,447.495,4.95,5,0.367,0.75,1.0,0.9437924062778426,0.8585172366527312,0.711937153039545,0.5895072304845452,0.7759385066136659
EOS-3-41174,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)c2)nc1,MIEAUAGBSXUQRF-UHFFFAOYSA-N,3,1,0.5,16,921,463.86,3.507,5,0.381,0.62,1.0,0.8250805290932767,0.7325577410732643,0.7478325680213831,0.7058546364197108,0.7528313686519087
EOS-3-41175,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)cc3Cl)n12,QDBRUWJANVUQFM-UHFFFAOYSA-N,3,1,0.58,35,161,452.902,4.724,5,0.371,0.68,1.0,0.784430470838188,0.8672812007401823,0.8137721883352752,0.8406037968610788,0.826521914193681
EOS-3-41176,Fc1ccc(-c2nsc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)n2)cc1,GKYRTOVVZVMPIK-UHFFFAOYSA-N,3,1,0.403,3,867,440.467,4.506,6,0.433,0.62,1.0,0.2344338976081146,0.4334349941744911,0.43985162086217533,0.5349530532520047,0.4106683914741964
EOS-3-41177,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)c(F)c2)nn1,BTKRMQUNZKTKAP-UHFFFAOYSA-N,3,1,0.57,34,16,465.851,4.462,5,0.378,0.66,1.0,0.8941556438900692,0.9435182646837091,0.8209512713316428,0.8424885203207456,0.8752784250565416
EOS-3-41178,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)nn2)no1,RQOWUORIFAGPCX-UHFFFAOYSA-N,3,1,0.375,80,277,466.425,1.766,6,0.348,0.66,1.0,0.3920481803851689,0.32921835377972725,0.016251456377218833,0.012105064765951613,0.18740576382701665
EOS-3-41179,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)ncn2)s1,NPEQIQHFXCXWQV-UHFFFAOYSA-N,3,1,0.438,46,395,436.888,3.641,5,0.384,0.6,0.571,0.5120365293674183,0.4420533205400589,0.2164347885682955,0.23415118908916455,0.35116895689123434
EOS-3-41180,Fc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)cnn4)n23)c(F)c1,BWRYMRIIBHBKIX-UHFFFAOYSA-N,3,1,0.512,34,146,450.836,4.759,5,0.384,0.69,1.0,0.8170019189911589,0.9334264272496745,0.907597148927421,0.9368788979507916,0.8987260982797615
EOS-3-41182,Clc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,MKJIWCDQRDAFOG-UHFFFAOYSA-N,3,1,0.342,69,152,451.877,5.224,6,0.362,0.76,1.0,0.26123980535946817,0.3869251593448016,0.7525700774450004,0.7949335206634227,0.5489171407031732
EOS-3-41183,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnn(C)n5)nc4)n23)n(C)n1,CPNOTIYYBPZYFL-UHFFFAOYSA-N,3,1,0.442,31,105,417.437,1.04,5,0.398,0.71,1.0,0.23444246453293127,0.1939808786238092,0.008061476252484408,0.0031611952573504217,0.10991150366664383
EOS-3-41184,Fc1cc(-c2cccnc2)ncc1-c1nnc2cncc(-c3cnn(-c4cccc(Cl)c4)c3)n12,HCITZLMFZYRRPC-UHFFFAOYSA-N,3,1,0.324,10,673,468.883,4.894,6,0.366,0.73,0.975,0.018213282160235763,0.23305462271263108,0.7950106229867727,0.8548334589815639,0.4752779967103009
EOS-3-41185,Cc1cc(-c2ccnc(F)c2)ncc1-c1nnc2cncc(Cc3ccc(F)cn3)n12,CYZQALOYSHDYFC-UHFFFAOYSA-N,3,1,0.317,85,81,415.407,3.821,5,0.415,0.69,0.998,0.4047700637379206,0.3962031389212528,0.6992409704612432,0.7031132204783771,0.5508318483996985
EOS-3-41186,Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc(-c2ccn(C)n2)n1,GDHQEIADVVUPPG-UHFFFAOYSA-N,3,1,0.506,58,578,446.902,3.565,5,0.368,0.61,1.0,0.48452813378109794,0.5274227263381537,0.3699369474333493,0.3340415324515112,0.428982335001028
EOS-3-41187,Cc1ncc(-c2cccc(-c3nnc4cncc(Cc5ccnc(C)c5F)n34)c2)cn1,YBRSBMUIYHVKBU-UHFFFAOYSA-N,3,1,0.352,14,81,411.444,3.99,5,0.445,0.75,1.0,0.3195120279624426,0.3098228359947913,0.6233722842848332,0.5449078198889726,0.4494037420327599
EOS-3-41188,Fc1ccncc1CCOc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,RXCNEXCFNVXTHF-UHFFFAOYSA-N,3,1,0.573,35,300,413.416,3.404,5,0.421,0.7,1.0,0.8812452881913508,0.7849359194023713,0.5436998834898225,0.5213830443424029,0.6828160338564868
EOS-3-41189,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccc(F)n5)nc4)n23)s1,ATNODWFRJQZIJN-UHFFFAOYSA-N,3,1,0.284,70,812,455.482,3.911,6,0.372,0.62,0.999,0.14574909190596944,0.24360050716194914,0.22706634226578026,0.2457165375916661,0.21553311973134123
EOS-3-41190,Cc1ncc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cc5)n34)cc2F)o1,KXRVZKJQPKZHLO-UHFFFAOYSA-N,3,1,0.294,42,106,468.427,4.552,6,0.371,0.65,1.0,0.3762850387225002,0.42437975464327327,0.6413456925502021,0.622549859502433,0.5161400863546022
EOS-3-41191,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)c(-c2ncc(F)cn2)n1,DZMWNDJZCIKXCS-UHFFFAOYSA-N,3,1,0.301,30,945,460.476,4.82,6,0.372,0.66,1.0,0.3092916866561579,0.3726869302994997,0.45423548762936056,0.49785826879583306,0.40851809334521283
EOS-3-41192,Cc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccc(Cl)cn5)c4)n23)n(C)n1,WNBLTWNKWJCTGA-UHFFFAOYSA-N,3,1,0.446,24,486,467.32,4.176,5,0.358,0.68,0.955,0.4278065245699404,0.5137156466314852,0.4323726954972243,0.4764923583030635,0.46259680625042837
EOS-3-41193,COc1ncc(-c2nnc3cncc(OCc4ccc(-c5cc(Cl)cn(C)c5=O)nc4)n23)cn1,WDDXNVFDJYWTGJ-UHFFFAOYSA-N,3,1,0.427,55,879,476.884,2.583,5,0.363,0.67,1.0,0.4671115756288123,0.3292269207045439,0.2778168048797204,0.21945891302857926,0.32340355356041395
EOS-3-41194,CCn1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1C(F)F,HZIZOUJKFKHFGF-UHFFFAOYSA-N,3,1,0.529,68,255,422.798,4.317,4,0.463,0.61,0.999,0.5610564731683915,0.6850027414159413,0.854627852785964,0.8478514152559797,0.7371346206565691
EOS-3-41195,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)nc5)cn4)n23)nc1,PLJUYHUHYOZDNS-UHFFFAOYSA-N,3,1,0.435,7,535,467.827,3.603,5,0.345,0.64,0.995,0.6318535398533343,0.685011308340758,0.6883609759440751,0.6372078678637516,0.6606084230004797
EOS-3-41196,FCc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)nn2)c1,PXTOMNJIUAPENN-UHFFFAOYSA-N,3,1,0.398,54,251,451.824,4.698,5,0.382,0.65,0.984,0.7197073538482627,0.709512713316428,0.8283702282228771,0.8583287643067644,0.778979764923583
EOS-3-41197,Cc1cnc(CCOc2cncc3nnc(-c4cc(-c5ncon5)ncc4F)n23)c(Cl)n1,VKYWEOQFRUSHPV-UHFFFAOYSA-N,3,1,0.452,65,262,453.825,2.749,5,0.378,0.58,1.0,0.7104465081214447,0.6313994928380509,0.1044565142896306,0.1583681721609211,0.4011676718525118
EOS-3-41198,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cn(C)nc5C)c4)n23)cn1,PWMBFOHLEPQOGV-UHFFFAOYSA-N,3,1,0.518,89,205,411.469,3.783,5,0.438,0.83,1.0,0.3439106298403125,0.1852254814611747,0.4645243643341786,0.32434377355904326,0.32950106229867726
EOS-3-41199,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5scnc5C)nc4)n23)cc1,KTZOCPSOVQNEIY-UHFFFAOYSA-N,3,1,0.653,89,230,414.494,4.506,5,0.421,0.84,1.0,0.5326742512507711,0.40135186073607015,0.39988691659242,0.3122387087930916,0.41153793434308816
EOS-3-41200,COc1ccc(-c2cccnc2F)nc1COc1cncc2nnc(-c3ccncn3)n12,CFLUQCSHDNVJMG-UHFFFAOYSA-N,3,1,0.386,46,122,430.403,2.765,5,0.375,0.62,0.32,0.5429973956548557,0.4816068124186142,0.3398156397779453,0.24572510451648277,0.4025362380919745
EOS-3-41202,CC(C)n1nnc(-c2nc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)ccc2F)n1,NYFMTGRPIPDKSB-UHFFFAOYSA-N,3,1,0.495,36,10,467.415,3.417,5,0.374,0.62,1.0,0.4746590363922966,0.5940134329381125,0.25921801110273457,0.2964412994311562,0.40608294496607494
EOS-3-41203,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc(-c2ccccc2F)c1,UJJGVXJYDNUXLW-UHFFFAOYSA-N,3,1,0.562,57,461,449.848,5.364,5,0.361,0.81,1.0,0.9658008361318621,0.9759269412651634,0.9411880611335754,0.9597611541361113,0.9606692481666781
EOS-3-41204,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cc(Cl)c2F)nn1,RUYLWBUNUFYXJF-UHFFFAOYSA-N,3,1,0.563,35,393,461.888,4.366,5,0.371,0.61,1.0,0.8443646768555959,0.8644969501747652,0.740405044205332,0.7248646425878966,0.7935328284558976
EOS-3-41206,c1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cscn6)n5)n34)cn2)cs1,YPPUTTABJJNFGR-UHFFFAOYSA-N,3,1,0.448,6,297,471.531,3.802,6,0.357,0.67,1.0,0.3669470906723323,0.38693372626961825,0.1472226029744363,0.1359399629908848,0.2592608457268179
EOS-3-41207,COCc1cncc(-c2cccc(-c3nnc4cncc(OCCc5cncs5)n34)c2)c1,NFCUNTTYMUZKEY-UHFFFAOYSA-N,3,1,0.53,35,655,444.52,4.078,5,0.356,0.64,1.0,0.44841854567884315,0.30472551572887396,0.4716263450071962,0.40109485299157016,0.4064663148516209
EOS-3-41209,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc(CF)n2)nc1,XHNAXAWZITUAOL-UHFFFAOYSA-N,3,1,0.392,46,565,462.876,4.049,5,0.348,0.63,1.0,0.620613734493866,0.5181361798368858,0.35869714207388115,0.37595092865465013,0.46834949626482075
EOS-3-41210,OCc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,AEORAJQZQCVXJH-UHFFFAOYSA-N,3,1,0.404,18,466,461.873,2.2,5,0.359,0.6,0.922,0.4461568775272428,0.41070694263587143,0.2739531217874032,0.28151771640052087,0.3530836645877596
EOS-3-41211,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cc1F,AJRUQEWEUOTHTD-UHFFFAOYSA-N,3,1,0.562,84,884,464.863,4.801,5,0.359,0.73,1.0,0.9292372010143239,0.9458656020834761,0.9279521622918238,0.9394232746213419,0.9356195600027414
EOS-3-41212,CC(F)(F)c1ccc(-c2nnc3cncc(OCc4cccnc4-c4cccnc4)n23)cc1,CXEIYMVIXJEZBD-UHFFFAOYSA-N,3,1,0.518,1,676,444.445,4.939,5,0.369,0.71,1.0,0.9186827496401891,0.7680076759646357,0.9510400246727435,0.892150983482969,0.8824703584401343
EOS-3-41213,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cn5)c4)n23)cc1,JOOHHUGFLYYXGL-UHFFFAOYSA-N,3,1,0.529,16,343,465.851,4.813,5,0.355,0.7,1.0,0.960232335001028,0.9035535604139538,0.9000068535398533,0.8811510520183675,0.9112359502433006
EOS-3-41214,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)nc2F)n1,MBWRCJLGIDPCBT-UHFFFAOYSA-N,3,1,0.396,31,814,468.855,3.535,5,0.352,0.65,1.0,0.5584092934000411,0.5506219587416901,0.5505448564183401,0.5804177232540607,0.559998457953533
EOS-3-41215,Cn1c(C#N)ccc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(F)c1,ZZXWVOZTWFSRKK-UHFFFAOYSA-N,3,1,0.452,4,677,460.86,3.83,5,0.392,0.63,1.0,0.6833236241518744,0.7971095195668563,0.8076211363169077,0.7879000753889384,0.7689885888561442
EOS-3-41216,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,RJDSVIUTRJLNQU-UHFFFAOYSA-N,3,1,0.369,96,315,451.387,4.835,5,0.364,0.69,0.443,0.4047786306627373,0.6314080597628675,0.9351312452881914,0.9150846412171887,0.7216006442327463
EOS-3-41217,CN(C)c1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ncccn5)c4)n23)ccn1,RBGTXQRJTHSUJZ-UHFFFAOYSA-N,3,1,0.583,35,509,472.94,3.984,5,0.351,0.69,1.0,0.5610650400932081,0.7592180111027346,0.3888355835789185,0.27869919813583716,0.4969544582276746
EOS-3-41218,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)nn1C,OJYBCEVGSANGKT-UHFFFAOYSA-N,3,1,0.374,31,105,436.867,2.431,5,0.373,0.57,0.999,0.1239377013227332,0.2079021314508944,0.0873140977314783,0.08678294839284491,0.1264842197244877
EOS-3-41219,CCOc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)n2)cn1,DWEQMHPVDCGVCL-UHFFFAOYSA-N,3,1,0.529,65,271,458.457,3.198,5,0.323,0.64,1.0,0.7406963196490988,0.6999263244465767,0.30680727845932426,0.21946747995339594,0.4917243506270989
EOS-3-41220,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cc(CN)ccn1,IQQGZHUITCUWQQ-UHFFFAOYSA-N,3,1,0.441,95,493,461.917,2.715,5,0.367,0.61,1.0,0.36932012884654924,0.172400795010623,0.25560276883010075,0.25783016928243435,0.26378846549242685
EOS-3-41221,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)ccn2)n1,CIQYEMBOXJXATD-UHFFFAOYSA-N,3,1,0.446,75,420,448.849,3.718,5,0.375,0.6,1.0,0.8197005003084092,0.7419213898978823,0.5571413885271743,0.5349616201768214,0.6634312247275719
EOS-3-41222,Cc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3cccc(F)c3)n12,ORXSNOHVTMOSTK-UHFFFAOYSA-N,3,1,0.548,97,770,413.416,3.67,5,0.434,0.74,1.0,0.8374597354533616,0.7419299568226989,0.4542440545541772,0.4389520937564252,0.6181464601466657
EOS-3-41223,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)cn2)ccn1,BDKAPEMCVPZMLK-UHFFFAOYSA-N,3,1,0.494,59,109,450.836,4.759,5,0.359,0.69,1.0,0.8646511548214653,0.9302480981426907,0.9392348022753753,0.9435268316085258,0.9194152217120143
EOS-3-41224,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)ncn2)cc1Cl,CGUUDKOEIFRHII-UHFFFAOYSA-N,3,1,0.387,44,236,454.799,5.111,5,0.375,0.73,0.999,0.7702008087177027,0.8585258035775478,0.9666403947638955,0.9742992255499966,0.8924165581522856
EOS-3-41225,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)cc2F)c1,FFYVXSMHWVKWQB-UHFFFAOYSA-N,3,1,0.523,73,795,465.851,4.196,5,0.371,0.61,1.0,0.9589644301281612,0.9288431224727571,0.7092385717222945,0.7788876704818039,0.8439834487012542
EOS-3-41226,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)c6F)o5)n34)cn2)n(C)n1,RQEBTFCSQQYWEC-UHFFFAOYSA-N,3,1,0.302,10,541,471.431,3.89,6,0.381,0.62,0.917,0.28803714618600507,0.3534370502364471,0.40333938729353713,0.4202419299568227,0.366263878418203
EOS-3-41227,COc1cccc(C(C)NC(=O)c2ccc(-c3nnc4cncc(C(F)c5nnco5)n34)cc2)c1,VSRGEFFWNVQDAX-UHFFFAOYSA-N,3,1,0.516,62,319,473.468,3.733,5,0.38,0.65,1.0,0.7104550750462614,0.5137242135563018,0.6966280583921596,0.4265386196970735,0.586836491672949
EOS-3-41228,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)n2)nn1,XRNBESVSJLVJGS-UHFFFAOYSA-N,3,1,0.295,98,865,421.428,2.434,6,0.46,0.56,1.0,0.056567404564457545,0.04884003837982318,0.16296861078747174,0.17685559591529024,0.11130791241176066
EOS-3-41229,CCn1cnnc1-c1cc(Cl)cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,DVHIZIUFLTUMBR-UHFFFAOYSA-N,3,1,0.528,37,908,464.892,3.879,5,0.36,0.62,1.0,0.5668477143444589,0.5689980124734425,0.4542526214789939,0.5114111438558016,0.5253773730381742
EOS-3-41230,Cc1ncc(-c2ncc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)nn2)nn1,DTKBBNQEXHKIOZ-UHFFFAOYSA-N,3,1,0.32,99,502,466.429,1.12,6,0.354,0.59,1.0,0.30930025358097457,0.16428791720923858,0.008969570283051197,0.004583304776917278,0.1217852614625454
EOS-3-41231,Fc1cncc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)c1F,QSBAZOCFGDAQRT-UHFFFAOYSA-N,3,1,0.466,55,564,418.367,2.896,5,0.429,0.59,1.0,0.7645380714138853,0.6030858063189637,0.6639795079158385,0.6342008772531013,0.6664510657254472
EOS-3-41232,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)cn2)s1,JURKBSPDIAMFMA-UHFFFAOYSA-N,3,1,0.484,87,579,450.915,3.683,5,0.386,0.6,0.998,0.5896700020560619,0.7419385237475156,0.12116201768213282,0.14782228771160305,0.40014820779932836
EOS-3-41233,Cc1ncsc1-c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)nc1,XMNACBCFTHMSLO-UHFFFAOYSA-N,3,1,0.429,18,795,450.915,3.683,5,0.386,0.6,1.0,0.5640377630045919,0.5790812829826606,0.10687238708793091,0.12936056473168392,0.34483799945171684
EOS-3-41234,Cn1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc2F)n1,FGDOXPYEOQBGPG-UHFFFAOYSA-N,3,1,0.446,31,773,451.853,2.791,5,0.362,0.6,1.0,0.6234922212322664,0.5506305256665067,0.3362260982797615,0.35974230690151465,0.46752278802001235
EOS-3-41235,COc1nc(-c2cc(C)n(C)n2)ccc1-c1nnc2cncc(OCCc3cscn3)n12,UZXNYNCSKISGKH-UHFFFAOYSA-N,3,1,0.581,31,456,448.512,2.982,5,0.374,0.58,0.972,0.34158899321499553,0.20791069837571105,0.04311733260228908,0.0157288739634021,0.15208647453909943
EOS-3-41236,CN1CCC(n2cc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)C(F)C1,MXTLCSLZHGXIJW-UHFFFAOYSA-N,3,1,0.375,78,792,411.872,3.523,5,0.516,0.67,1.0,0.08592625591117813,0.18944897539579192,0.3587057089986978,0.5864145706257282,0.305123877732849
EOS-3-41237,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)c4)n23)n1,ADBRGUBTZJRXCZ-UHFFFAOYSA-N,3,1,0.523,11,325,464.316,4.572,5,0.34,0.7,1.0,0.9315588376396409,0.9253478171475568,0.6025032554314304,0.6864419847851415,0.7864629737509423
EOS-3-41238,Clc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)c1,AIMZKUPVGAQJCH-UHFFFAOYSA-N,3,1,0.522,19,207,464.316,4.572,5,0.34,0.7,1.0,0.677378178329107,0.7373209512713317,0.7198529915701459,0.8186553354807758,0.73830186416284
EOS-3-41239,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c(F)c1,ROIPNCWPSIFANQ-UHFFFAOYSA-N,3,1,0.472,16,772,453.84,4.097,5,0.373,0.62,1.0,0.827727708861627,0.7419470906723322,0.8893752998423686,0.8755482831882667,0.8336495956411487
EOS-3-41240,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cn(C)nc4F)n23)n1,KJUITHSMWYODGF-UHFFFAOYSA-N,3,1,0.426,31,330,449.425,2.585,5,0.389,0.56,1.0,0.4137739017202385,0.309831402919608,0.20243643341786033,0.19889829346857651,0.28123500788157085
EOS-3-41241,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccccn1,FSFPCTNDWHMSAH-UHFFFAOYSA-N,3,1,0.527,11,848,458.909,4.532,5,0.331,0.72,1.0,0.8646597217462819,0.8171475567130423,0.5960266602700295,0.5449163868137893,0.7056875813857857
EOS-3-41242,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccnc5)n4)n23)cc1,MTZMVVWYHUDTKQ-UHFFFAOYSA-N,3,1,0.341,62,139,407.437,3.275,5,0.491,0.81,1.0,0.15703173188952094,0.05245528065245699,0.3962202727708862,0.3092488520320746,0.22873903433623466
EOS-3-41243,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnnc(-c5ncon5)c4)n23)nc1,NIRYJUFHIOZFJM-UHFFFAOYSA-N,3,1,0.28,86,719,422.372,1.545,6,0.404,0.58,0.971,0.08833356178466177,0.029041875128503872,0.022308272222602975,0.03770303611815503,0.04434668631348091
EOS-3-41244,CCn1ncnc1-c1cc(O)cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c1,ZTOFYTONSFZZNN-UHFFFAOYSA-N,3,1,0.484,43,910,465.876,4.147,5,0.402,0.64,0.997,0.5020046604071002,0.5181447467617024,0.617443972311699,0.6401463230758687,0.5694349256390926
EOS-3-41245,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5cc(F)c(Cl)cc5F)n34)nc2)o1,KBLQJGCQJZAOKW-UHFFFAOYSA-N,3,1,0.541,4,10,455.812,4.055,5,0.365,0.65,1.0,0.6586166129806045,0.8391217188677952,0.7170858748543623,0.7196559522993626,0.733620039750531
EOS-3-41246,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cc(-c4cnsc4)cnn3)n12,UBGINPKQSVFLCO-UHFFFAOYSA-N,3,1,0.536,84,207,453.89,4.119,5,0.382,0.6,1.0,0.5610736070180248,0.5737183880474265,0.6348862312384347,0.7168460009594956,0.6216310568158454
EOS-3-41247,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)c1,XAQGPGCPJHBNMK-UHFFFAOYSA-N,3,1,0.578,91,613,464.863,4.801,5,0.359,0.68,1.0,0.9829089849907477,0.9886316907682818,0.9055496538962374,0.9182715372489891,0.948840466726064
EOS-3-41248,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)n(C)n5)n34)cn2)n1C,OGXIBHLBFKQYNK-UHFFFAOYSA-N,3,1,0.268,99,286,452.486,2.091,6,0.398,0.5,1.0,0.11029915701459804,0.06418340072647523,0.02748269481187033,0.017013912685902268,0.054744791309711466
EOS-3-41249,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)cc1F,LNHUWLBEHQPJQR-UHFFFAOYSA-N,3,1,0.458,26,606,463.904,4.75,5,0.361,0.72,1.0,0.6555496538962374,0.6314166266876842,0.7548146117469673,0.7088616270303612,0.6876606298403125
EOS-3-41250,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ncncc5F)n34)c2)s1,NPVBSXAAKUEYHL-UHFFFAOYSA-N,3,1,0.449,87,142,435.448,2.564,5,0.396,0.55,1.0,0.5225224453430196,0.5091323418545679,0.07366698649852649,0.0832191076691111,0.2971352203413063
EOS-3-41251,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc(-c2ccccn2)n1,GHFBDXTUXHXUBV-UHFFFAOYSA-N,3,1,0.538,24,583,443.898,4.227,5,0.388,0.59,1.0,0.7469501747652663,0.7232540607223631,0.42513364402714005,0.43605647316839147,0.5828485881707902
EOS-3-41252,COc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1nccs1,LQTMHXUSHOWFOP-UHFFFAOYSA-N,3,1,0.458,49,769,449.471,3.474,5,0.348,0.62,0.996,0.5954783770817628,0.5181533136865191,0.16934240285107258,0.1316822013570009,0.35366407374408887
EOS-3-41253,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3cncnc3-c3ccc(F)cc3)n12,YAKMUQUPARMHCE-UHFFFAOYSA-N,3,1,0.333,3,615,479.479,3.859,6,0.367,0.71,1.0,0.3578832842162977,0.3962117058460695,0.4922297991912823,0.46748852032074567,0.4284533273935988
EOS-3-41254,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)c(F)cn5)n34)ccn2)n1,UFHKKAJPURDNMV-UHFFFAOYSA-N,3,1,0.505,75,583,461.888,4.366,5,0.371,0.64,1.0,0.8250890960180933,0.7971180864916729,0.6319392091015009,0.6225584264272497,0.7191762045096293
EOS-3-41255,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4nn(C(F)F)cc4Cl)n23)c1,ANINJXOVMIQJLL-UHFFFAOYSA-N,3,1,0.468,36,460,471.859,3.453,5,0.358,0.65,1.0,0.45998389418134467,0.612877801384415,0.46453293125899525,0.4674970872455623,0.5012229285175793
EOS-3-41256,Fc1cncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)c1,GWDPLWKHOPOHIG-UHFFFAOYSA-N,3,1,0.585,35,429,464.863,4.801,5,0.359,0.7,1.0,0.9131913508327051,0.9334349941744912,0.9152645466383387,0.9325269001439244,0.9236044479473648
EOS-3-41257,Cc1cnc(-c2csc(COc3cncc4nnc(-c5ccc(C(N)=O)c(C)c5)n34)c2)s1,ZAEJWFHLTZLDFW-UHFFFAOYSA-N,3,1,0.473,89,731,462.56,4.271,5,0.404,0.62,0.999,0.39000068535398535,0.2281543417174971,0.21306798711534508,0.11844630251524912,0.23741732917551917
EOS-3-41258,Cc1cc(COc2ncccc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n(C)n1,PQTCFANOHVTOHT-UHFFFAOYSA-N,3,1,0.321,52,582,480.532,3.366,6,0.38,0.7,1.0,0.16786032485778904,0.08213110821739428,0.08986704132684531,0.06862963470632581,0.10212202727708862
EOS-3-41259,Cn1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)c2)cn1,JUCYREPTEIRWAS-UHFFFAOYSA-N,3,1,0.489,40,78,466.53,4.289,6,0.361,0.68,1.0,0.4772976492358303,0.294770749091906,0.5505534233431567,0.4518281817558769,0.44361250085669246
EOS-3-41260,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2F)nn1,GWDXUFIHSOASLK-UHFFFAOYSA-N,3,1,0.418,46,223,452.812,3.549,5,0.373,0.57,0.988,0.7759663491193202,0.7232626276471797,0.680368035090124,0.7196645192241793,0.7248153827702009
EOS-3-41261,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cccs5)nc4)n23)ccc1Cl,WLTJGADWSHZFKQ-UHFFFAOYSA-N,3,1,0.556,24,805,444.907,5.019,5,0.378,0.75,1.0,0.9200106229867727,0.9302566650675074,0.8560842300047975,0.8548420259063807,0.8902983859913646
EOS-3-41262,CCn1cncc1-c1cnc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)nc1C,GHBQYVGZSMJAIX-UHFFFAOYSA-N,3,1,0.337,7,48,466.868,2.935,5,0.347,0.62,0.999,0.43688746487560826,0.4059522993626208,0.09424473990816257,0.10049002809951339,0.2593936330614762
EOS-3-41264,Fc1cc(Cl)cc(COc2cncc3nnc(-c4cc(-c5cccc(F)n5)n[nH]4)n23)c1,UDDOZXYQGBNCPB-UHFFFAOYSA-N,3,1,0.443,59,16,439.813,4.087,5,0.414,0.57,1.0,0.6290949900623672,0.5548968542252073,0.8449643615927627,0.8769789596326503,0.7264837913782469
EOS-3-41265,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1F,FGHVJEQKVGBUDM-UHFFFAOYSA-N,3,1,0.506,73,353,453.84,4.097,5,0.398,0.56,1.0,0.9116578712905216,0.8459752587211294,0.8622181481735316,0.8564954423959975,0.869086680145295
EOS-3-41266,COCc1cc(COc2cncc3nnc(-c4cc(-c5cc(F)cnn5)ccn4)n23)ccn1,STBYDACLADSPTE-UHFFFAOYSA-N,3,1,0.398,46,181,444.43,2.903,5,0.374,0.51,1.0,0.36695565759714893,0.3149030224110753,0.46454149818381196,0.37930059625796725,0.3814251936125008
EOS-3-41267,Cn1cccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5(F)CC5)c(F)c4)n23)nc1,MXQUJOCFNJCCTG-UHFFFAOYSA-N,3,1,0.327,52,802,471.471,4.187,6,0.388,0.62,0.998,0.2798985676101707,0.2895363580289219,0.5505619902679734,0.6107617709546981,0.43268967171544104
EOS-3-41268,Cc1cc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)ccc1-c1cncn1C,LGUPFBMTWAMWDN-UHFFFAOYSA-N,3,1,0.522,26,460,443.486,3.964,5,0.395,0.58,1.0,0.7134277979576451,0.504848879446234,0.6055530806661641,0.467505654170379,0.5728338530601055
EOS-3-41269,Fc1c(CCOc2cncc3nnc(-c4cc(-c5ccccn5)[nH]n4)n23)ccnc1Cl,FCZKVMAVXIFWCN-UHFFFAOYSA-N,3,1,0.458,18,698,436.838,3.385,5,0.406,0.58,0.987,0.5640463299294085,0.4861644164210815,0.5169882119114523,0.5642519361250086,0.5328627235967377
EOS-3-41270,Cc1nccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)c1F,YZNPXMUAUIDHHZ-UHFFFAOYSA-N,3,1,0.495,2,307,461.888,4.366,5,0.371,0.66,1.0,0.819709067233226,0.8171561236378589,0.7017853471317935,0.6949832088273593,0.7584084367075594
EOS-3-41271,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1-c1ccccc1,OJQAJLFXSWMYLZ-UHFFFAOYSA-N,3,1,0.301,30,737,429.487,4.921,6,0.398,0.68,1.0,0.03380508532657117,0.0242443972311699,0.5335737783565211,0.6077376464944144,0.29984022685216916
EOS-3-41273,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5ncc(Cl)cn5)n34)n2)c1,XKVXEJAJMRMOII-UHFFFAOYSA-N,3,1,0.272,39,527,472.835,2.474,6,0.376,0.58,0.928,0.013304434240285106,0.14873038174216982,0.04981666780892331,0.15291960797752038,0.09119277294222466
EOS-3-41274,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(Cl)nn5)cn4)n23)cn1,HNGBROGJQVJDNA-UHFFFAOYSA-N,3,1,0.494,27,69,466.839,4.208,5,0.366,0.65,1.0,0.6803252004660407,0.7971266534164896,0.7908984990747722,0.7357960386539648,0.7510365979028168
EOS-3-41275,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5nccc(F)c5Cl)n34)ccn2)n1,QOAINDYSWNRWBT-UHFFFAOYSA-N,3,1,0.468,75,359,451.853,2.791,5,0.387,0.53,0.998,0.5925741895689124,0.5690065793982592,0.2523387704749503,0.30925741895689124,0.43079423959975327
EOS-3-41276,COC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5nc(C)nn5C(F)F)ncn4C)n23)cc1,OIUXYLMGLWPEAO-UHFFFAOYSA-N,3,1,0.308,74,542,465.424,2.94,5,0.364,0.61,0.673,0.2315040093208142,0.17240936193543965,0.11526797340826538,0.06685628126927558,0.14650940648344868
EOS-3-41277,Cc1nc(Cl)cc(-c2nc(COc3cncc4nnc(-c5ccc(F)cc5)n34)ccc2F)n1,UDDPQAGBAOELQI-UHFFFAOYSA-N,3,1,0.517,34,929,465.851,4.462,5,0.354,0.71,1.0,0.9304537043382908,0.930265231992324,0.7044068261256939,0.7383147145500651,0.8258601192515935
EOS-3-41278,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)ccn2)n1,RQNMBBSHABSBLQ-UHFFFAOYSA-N,3,1,0.5,75,819,417.408,2.137,5,0.387,0.65,0.997,0.5095863888698513,0.45542629017887737,0.13220478377081762,0.12533411006785006,0.3056378932218491
EOS-3-41279,c1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cnn2)c1,FJOBDFCKLJJUHP-UHFFFAOYSA-N,3,1,0.483,81,2,459.473,3.679,6,0.368,0.57,1.0,0.5954869440065794,0.47289424988006307,0.4645500651086286,0.44544582276745937,0.4945942704406826
EOS-3-41280,Cc1cccc(-c2ccc(-c3nnc4cncc(Cc5cnc(CO)nc5)n34)cn2)n1,BXHQQCKOAOWGPP-UHFFFAOYSA-N,3,1,0.316,85,290,410.441,2.43,5,0.47,0.71,0.989,0.17055033925022273,0.1487389486669865,0.17900589404427386,0.13828730039065176,0.15914562058803372
EOS-3-41281,Clc1ccc(-c2cncs2)cc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,TXLJPHFNIZAKHJ-UHFFFAOYSA-N,3,1,0.296,42,693,457.91,4.415,6,0.417,0.64,0.999,0.19579706668494276,0.3726954972243164,0.49223836611609895,0.5739839627167432,0.40867872318552534
EOS-3-41282,Fc1ccnc(CCOc2cncc3nnc(-c4cnnc(-c5cncs5)c4)n23)c1,YKYPVGWHIZWYSG-UHFFFAOYSA-N,3,1,0.495,87,778,420.433,2.86,5,0.413,0.61,0.978,0.5954955109313961,0.5790898499074772,0.2556113357549174,0.28457610856007126,0.42869320128846555
EOS-3-41283,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)c(F)c1,JRJOEVUWDXEYSW-UHFFFAOYSA-N,3,1,0.47,13,913,419.366,5.063,5,0.407,0.78,1.0,0.8713504900280995,0.9253563840723734,0.9694589130285792,0.9717377150298129,0.9344758755397162
EOS-3-41284,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cn5)n34)c2)nn1,VLXJRPNAWPQICM-UHFFFAOYSA-N,3,1,0.275,70,957,450.441,3.245,6,0.376,0.55,1.0,0.05827222260297444,0.14131999177575216,0.46821670893016243,0.47363957233911314,0.28536212391200055
EOS-3-41285,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccc(Cl)nc6)no5)n34)nc2)n1C,AEJXZIMJYKJNPG-UHFFFAOYSA-N,3,1,0.275,86,652,470.884,3.661,6,0.354,0.68,0.905,0.23445103145774793,0.2895449249537386,0.15652628332533752,0.18268110479062435,0.2158008361318621
EOS-3-41286,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cc(F)ccn5)n4)n23)cc1,VEYGOASHJOISKV-UHFFFAOYSA-N,3,1,0.511,89,770,413.416,3.67,5,0.434,0.69,1.0,0.7729593585086697,0.7464361592762662,0.4854961962853814,0.4611661298060448,0.6165144609690906
EOS-3-41287,Fc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)n1,URPSAPWJGMOWNV-UHFFFAOYSA-N,3,1,0.539,11,278,413.416,3.404,5,0.394,0.75,1.0,0.7615910492769515,0.7592265780275512,0.49554519909533273,0.47949934891371393,0.6239655438283873
EOS-3-41288,Fc1cnnc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)n2)c1,YKCIWRLUPQIVOZ-UHFFFAOYSA-N,3,1,0.271,10,719,455.392,2.564,6,0.369,0.55,0.857,0.01822184908505243,0.1724179288602563,0.3068158453841409,0.38890411897745186,0.22158993557672538
EOS-3-41289,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)nn2)n(C)n1,XXNAMVYVDSHENL-UHFFFAOYSA-N,3,1,0.333,99,502,466.469,2.273,6,0.372,0.61,0.999,0.27990713453498733,0.15264546638338702,0.04016174354053869,0.02321636625316976,0.1239826776780207
EOS-3-41290,Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5cc(Cl)cc(C#N)c5)n4)n23)cc1F,YVFKELIWYFCHLR-UHFFFAOYSA-N,3,1,0.473,43,975,460.86,3.924,5,0.391,0.63,1.0,0.535227194846138,0.6265077787677336,0.7779367418271538,0.8036460832019738,0.6858294496607498
EOS-3-41291,Cc1ncc(F)c(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)n1,CBVOOMJTQFRKGJ-UHFFFAOYSA-N,3,1,0.489,4,666,419.445,3.731,5,0.429,0.65,1.0,0.6151394695360154,0.5506390925913234,0.2960900555136728,0.26691110958810227,0.43219493180727847
EOS-3-41292,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(F)c4)n23)ccn1,HFPOECIJLRAQNL-UHFFFAOYSA-N,3,1,0.512,97,55,417.379,3.501,5,0.404,0.66,1.0,0.9472191762045097,0.8133352751696251,0.8371427592351449,0.8014529504489069,0.8497875402645467
EOS-3-41293,Fc1cncc(CCc2nccn2Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,SPEYHACZXDRPRP-UHFFFAOYSA-N,3,1,0.341,85,260,450.428,3.688,5,0.376,0.6,0.579,0.27702008087177027,0.382350421492701,0.6113528887670482,0.5925913234185457,0.4658286786375163
EOS-3-41294,Fc1c(-c2cncnc2)ccnc1Cc1cncc2nnc(-c3ccc(Cl)c(Cl)c3)n12,XGDOVFHOCAXUAB-UHFFFAOYSA-N,3,1,0.38,73,575,452.28,4.68,5,0.394,0.6,1.0,0.4845367007059146,0.622087245562333,0.8860170653142349,0.929776917277774,0.7306044822150641
EOS-3-41295,c1nc(-c2c[nH]cn2)cc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)n1,QRELOYJNCJFBTC-UHFFFAOYSA-N,3,1,0.259,70,566,423.465,3.762,6,0.459,0.59,0.988,0.048283188266739774,0.0784558974710438,0.3068244123089576,0.33094030566787747,0.19112595092865464
EOS-3-41296,COc1ncc(-c2nnc3cncc(OCCc4ccnc(C)c4)n23)cc1-c1cn(C)cn1,QGYLADWONMQVEA-UHFFFAOYSA-N,3,1,0.483,65,657,442.483,2.92,5,0.379,0.59,0.999,0.3578918511411144,0.1272359673771503,0.23077582071139743,0.10467068741004729,0.20514358165992735
EOS-3-41297,COC(=O)c1ccc(-c2nnc3cncc(OCc4nnc(C(F)F)n4C)n23)cn1,DWAZGAZYOKXEDN-UHFFFAOYSA-N,3,1,0.462,68,127,416.348,1.618,4,0.431,0.63,1.0,0.39643444589130283,0.37270406414913304,0.049825234733739975,0.018076211363169076,0.20925998903433624
EOS-3-41298,CCn1c(-c2ccc(F)cc2)nnc1-c1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,YDNZGRLSULDFCB-UHFFFAOYSA-N,3,1,0.395,3,474,468.521,4.999,6,0.354,0.76,1.0,0.12394626824754985,0.3962202727708862,0.2486464258789665,0.37289253649509974,0.2854263758481256
EOS-3-41299,Fc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cncs1,GXZDJPLSOCSILJ-UHFFFAOYSA-N,3,1,0.42,46,565,439.863,4.076,5,0.381,0.65,1.0,0.7377407305873483,0.7095212802412446,0.6290178877390172,0.6516431361798369,0.6819807586868618
EOS-3-41301,Cc1nc(F)ccc1-c1cc(COc2cncc3nnc(-c4ccc(F)cn4)n23)cs1,MXZFICVFOUZUCD-UHFFFAOYSA-N,3,1,0.424,46,915,436.447,4.475,5,0.378,0.67,1.0,0.7227229113837297,0.6559351655129875,0.6992495373860599,0.6543074497978206,0.6830537660201494
EOS-3-41302,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cnccn5)cnn4)n23)cn1,MZGYXCKWXFBTEF-UHFFFAOYSA-N,3,1,0.384,80,843,477.492,2.721,6,0.352,0.66,1.0,0.2585069563429511,0.16821156877527244,0.15042663285587005,0.10467925433486396,0.17045610307723938
EOS-3-41303,N=c1nc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nc[nH]1,AMMKRKBGCDRNFY-UHFFFAOYSA-N,3,1,0.459,87,307,446.862,2.121,5,0.403,0.63,1.0,0.5981769583990131,0.5091409087793846,0.18868651908710848,0.1989068603933932,0.37372781166472485
EOS-3-41304,Cn1nnc(-c2cnc(CCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c(Cl)c2)n1,ZMIMHCLPCRVSQN-UHFFFAOYSA-N,3,1,0.375,85,362,468.859,3.148,5,0.373,0.61,0.767,0.2691385100404359,0.39622883969570283,0.29956822698923996,0.3597508738263313,0.3311716126379275
EOS-3-41305,Cc1cccc(-c2nnsc2-c2cncc3nnc(-c4nccnc4-c4cnccn4)n23)n1,YYAGVLJKQQIKGG-UHFFFAOYSA-N,3,1,0.232,86,953,451.479,2.927,6,0.394,0.58,0.466,0.013313001165101776,0.024252964155986566,0.023362003975053114,0.03460180933452128,0.023882444657665685
EOS-3-41306,Fc1ccc(F)c(-c2ccc(Oc3cncc4nnc(-c5cnc(C(F)(F)F)nc5)n34)nc2)c1,WKPNSCRWMDUUGA-UHFFFAOYSA-N,3,1,0.404,13,412,471.349,4.733,5,0.35,0.77,1.0,0.8348039887601947,0.8555188129668974,0.9685936536220958,0.9342916866561579,0.8983020355013365
EOS-3-41307,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(F)c(C)c5)n34)nc2)n(C)n1,IPJSUIXMLBXWRK-UHFFFAOYSA-N,3,1,0.35,14,81,413.46,3.934,5,0.446,0.69,1.0,0.2612483722842848,0.2895534918785553,0.5705571927900761,0.4978668357206497,0.40480647316839147
EOS-3-41308,Cc1nc(Cl)c(-c2cc(-c3nnc4cncc(COc5cccc(F)c5)n34)ccn2)s1,GJEITPAFXPBPTG-UHFFFAOYSA-N,3,1,0.424,14,189,452.902,4.99,5,0.374,0.81,1.0,0.4484271126036598,0.5940219998629293,0.5771280241244603,0.6312624220409842,0.5627098896580084
EOS-3-41309,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cnccn6)cs5)n34)cc2)cn1,MLUVIRAKEZLRLC-UHFFFAOYSA-N,3,1,0.506,80,147,465.502,3.741,6,0.362,0.65,1.0,0.402799671030087,0.48617298334589815,0.22338256459461311,0.2109862243848948,0.33083536083887327
EOS-3-41310,c1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)ncn2)nc1,KSZSNYLUQFWHRG-UHFFFAOYSA-N,3,1,0.432,80,34,465.502,3.741,6,0.362,0.61,1.0,0.4137824686450552,0.4154444520594887,0.2164433554931122,0.19607120827907615,0.31043537111918307
EOS-3-41312,CCc1nc(-c2nnc3cncc(OCc4ccc(F)s4)n23)ccc1-c1nc(C)nn1C,SBWGCJVNOAMQSZ-UHFFFAOYSA-N,3,1,0.396,31,690,450.503,3.632,5,0.39,0.58,0.68,0.3486224384894798,0.38235898841751764,0.0515214858474402,0.04794907819888972,0.20761299773833183
EOS-3-41313,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4Cl)n23)c(F)c1,HMUNLZYCWHIBPP-UHFFFAOYSA-N,3,1,0.477,73,79,471.283,4.007,5,0.382,0.65,1.0,0.6040110341991639,0.6459632650263861,0.7997395654855733,0.8442618737577959,0.7234939346172298
EOS-3-41314,Fc1cc(-c2nncs2)cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)c1,HUOFPQMAHHGLOV-UHFFFAOYSA-N,3,1,0.489,37,563,454.878,3.514,5,0.384,0.57,1.0,0.6586251799054211,0.7419556575971489,0.285072990199438,0.3949952025221027,0.5201622575560277
EOS-3-41315,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nc4)n23)ccc1Cl,TUBTTZAYTGQVRS-UHFFFAOYSA-N,3,1,0.529,97,67,449.923,5.156,5,0.356,0.8,1.0,0.9172435062709889,0.84936776094853,0.8054708381879241,0.7462134192310328,0.8295738811596189
EOS-3-41316,Cc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cccc(Cl)n5)c4)n23)nc1,AJZUFRKQRMKGQU-UHFFFAOYSA-N,3,1,0.469,87,173,443.898,4.227,5,0.363,0.63,1.0,0.6619148790350216,0.7095298471660613,0.4991176067438832,0.5012593379480502,0.592955417723254
EOS-3-41317,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)o1,YJBHWYZDRAVNOY-UHFFFAOYSA-N,3,1,0.74,91,655,449.873,5.169,5,0.356,0.78,1.0,0.9527962442601604,0.867289767664999,0.8720187101637996,0.8515094921526969,0.885903553560414
EOS-3-41318,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)s5)n34)cc2)n1,UCKMFRIUHDNYJB-UHFFFAOYSA-N,3,1,0.314,38,653,429.49,4.693,6,0.401,0.67,1.0,0.1570402988143376,0.24360907408676583,0.25561990267973406,0.284584675484888,0.23521348776643136
EOS-3-41319,CCn1nncc1-c1cccc(-c2nnc3cncc(Oc4ncccc4Cl)n23)c1,ZVXRQKHZRBTGPV-UHFFFAOYSA-N,3,1,0.4,13,706,418.848,3.91,5,0.427,0.67,1.0,0.3693286957713659,0.4334435610993078,0.26996950174765266,0.3243523404838599,0.3492735247755466
EOS-3-41320,Cc1cc(OCc2cncc3nnc(-c4cccc(-c5cc(F)ccn5)c4)n23)ccc1Cl,VVJWBZIURLBVFU-UHFFFAOYSA-N,3,1,0.416,14,18,445.885,5.533,5,0.355,0.86,1.0,0.6586337468302378,0.6850198752655746,0.9271554382838736,0.9297854842025907,0.8001486361455692
EOS-3-41321,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccnc(-c4cccnc4F)c3)n12,YROWPXXUWLEFNF-UHFFFAOYSA-N,3,1,0.488,13,110,436.809,4.972,5,0.37,0.7,1.0,0.7438146802823659,0.8555273798917141,0.9279607292166404,0.9368874648756083,0.8660475635665822
EOS-3-41322,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccn1,NLVPPJWVXGOGMU-UHFFFAOYSA-N,3,1,0.517,75,624,416.42,2.742,5,0.42,0.63,1.0,0.6619234459598382,0.45976972106092795,0.4251422109519567,0.3759594955794668,0.4806987183880474
EOS-3-41323,Fc1ccccc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4nncs4)cc3F)n12,CKFVYNGCJFYLFP-UHFFFAOYSA-N,3,1,0.346,64,27,470.468,4.712,6,0.368,0.71,1.0,0.22059831402919608,0.3679665547255157,0.5928054965389624,0.6976646562949763,0.4697587553971626
EOS-3-41324,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cc(-c4cncc(Cl)c4)ccn3)n12,YYARALFQWIQTRP-UHFFFAOYSA-N,3,1,0.387,2,564,468.279,4.668,5,0.37,0.7,1.0,0.7438232472071825,0.6850284421903914,0.8835669248166678,0.9138852717428552,0.8065759714892742
EOS-3-41325,Cc1nnc(-c2ccc(OCc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)s1,GOGHJEOUQJOCLG-UHFFFAOYSA-N,3,1,0.374,52,916,484.545,3.484,6,0.373,0.78,1.0,0.2480810088410664,0.11089027482694812,0.05153005277225687,0.04665547255157289,0.11428920224796106
EOS-3-41326,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)n(C)n1,XZMIHXKOVYYOFX-UHFFFAOYSA-N,3,1,0.557,65,393,412.457,2.912,5,0.423,0.76,1.0,0.42781509149475705,0.2584127201699678,0.21307655404016174,0.1478308546364197,0.2617838050853266
EOS-3-41327,Cc1cc(-c2nnc3cncc(OCCc4ccn(C)c4)n23)cc(-c2cnc(C)s2)n1,NYSYKBDLIZZPEF-UHFFFAOYSA-N,3,1,0.5,65,661,431.525,3.887,5,0.406,0.63,1.0,0.44843567952847646,0.28956205880337194,0.23786923445959837,0.1478394215612364,0.28092659858817076
EOS-3-41328,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)ncn5)cn4)n23)cn1,WJPLHRFJDJOTFV-UHFFFAOYSA-N,3,1,0.506,4,205,410.441,3.234,5,0.435,0.77,1.0,0.4278236584195737,0.3679751216503324,0.3362346652045782,0.21682030018504558,0.33721343636488244
EOS-3-41329,Fc1cc(-c2cncc(-c3nnc4cncc(OCc5nnccc5F)n34)c2)ccn1,YAWWVGVUDZZDAE-UHFFFAOYSA-N,3,1,0.435,2,875,418.367,2.896,5,0.402,0.65,1.0,0.5326828181755877,0.5644147076965252,0.6260108971283668,0.6312709889658008,0.5885948529915701
EOS-3-41330,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)nc1C,IWPFVSUMFUHIHV-UHFFFAOYSA-N,3,1,0.386,31,690,460.929,4.314,5,0.372,0.66,0.995,0.44365533548077585,0.3869422931944349,0.3587142759235145,0.29644986635597287,0.37144044273867455
EOS-3-41331,Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc(-c2cc(F)ncc2F)n1,DHXAGRINQTZMTE-UHFFFAOYSA-N,3,1,0.5,35,161,463.423,3.991,5,0.352,0.63,1.0,0.8734236858337331,0.8287471729148105,0.8263998355150435,0.7856041395380714,0.8285437084504147
EOS-3-41332,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)nn1,ZLGICFCDDRSUDW-UHFFFAOYSA-N,3,1,0.435,46,577,450.384,3.343,5,0.376,0.57,1.0,0.6952659173463094,0.6409344801590021,0.7092471386471112,0.6806164759098075,0.6815160030155576
EOS-3-41333,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccn1,DTBLKJHIXJTDOY-UHFFFAOYSA-N,3,1,0.472,55,486,437.826,2.748,5,0.386,0.56,0.999,0.5020132273319169,0.5091494757042012,0.4682252758549791,0.48256630799808103,0.49048857172229454
EOS-3-41334,Fc1cc(-c2cc(F)c(F)c(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)c2)ccn1,NICCISPHJUCLOZ-UHFFFAOYSA-N,3,1,0.286,94,151,471.406,3.913,6,0.36,0.63,1.0,0.01739942430265232,0.21771126036597901,0.8848176958399013,0.879694674799534,0.4999057638270167
EOS-3-41336,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)nc2)ccn1,NBCLFPZBNCFTRZ-UHFFFAOYSA-N,3,1,0.276,10,664,469.871,4.289,6,0.355,0.67,0.998,0.015591803166335412,0.15661195257350422,0.6556952916181208,0.7168545678843122,0.3861884038105682
EOS-3-41337,Cn1ccc(-c2ccc(F)nc2-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)n1,LXWVXGLCXKHRTA-UHFFFAOYSA-N,3,1,0.264,10,871,438.43,2.974,6,0.39,0.53,0.82,0.0060825166198341446,0.09783428140634638,0.1660955383455555,0.21411315194297856,0.12103137207867865
EOS-3-41338,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)s5)n34)cn2)cn1,VDPQDABSHNAXGB-UHFFFAOYSA-N,3,1,0.356,30,20,451.49,5.178,6,0.344,0.8,0.985,0.1457576588307861,0.314911589335892,0.5864574052498115,0.6401548900006854,0.4218203858542937
EOS-3-41339,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4)n23)ncc1F,FDBDIYAKOHIRNO-UHFFFAOYSA-N,3,1,0.465,26,19,416.42,3.008,5,0.435,0.62,1.0,0.6920704543896923,0.5091580426290179,0.339824206702762,0.2724539099444863,0.4533766534164896
EOS-3-41340,Cc1cncc(COc2cncc3nnc(-c4cc(-c5cncn5C)ccn4)n23)c1F,QUDGXYXBYXTAHE-UHFFFAOYSA-N,3,1,0.413,7,211,416.42,3.008,5,0.435,0.62,1.0,0.4721574943458296,0.2895706257281886,0.5169967788362689,0.4138253032691385,0.4231375505448564
EOS-3-41341,Cc1ncc(COc2cncc3nnc(-c4cc(-c5ccnn5C)ccn4)n23)cc1F,IYMUTEHDCDHNEK-UHFFFAOYSA-N,3,1,0.451,46,62,416.42,3.008,5,0.435,0.62,1.0,0.38310431087656777,0.23817764375299844,0.45763655678157766,0.3501473511068467,0.35726646562949765
EOS-3-41342,Cn1c(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)cc1=O,YXYWKUCCVUPORJ-UHFFFAOYSA-N,3,1,0.527,59,214,471.427,3.281,5,0.387,0.62,0.998,0.6712185593859228,0.6128863683092317,0.8733380165855664,0.8424970872455624,0.7499850078815709
EOS-3-41343,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccncc5)n34)ncn2)c(F)n1,AUVFJSWCZSSUBK-UHFFFAOYSA-N,3,1,0.489,4,354,418.367,2.896,5,0.402,0.62,1.0,0.5806318963744774,0.5644232746213419,0.6084915358782811,0.5579209786854911,0.5778669213898979
EOS-3-41344,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccc(Cl)cc6)nn5)n34)cn2)n(C)n1,SCCYESZRGSHQJK-UHFFFAOYSA-N,3,1,0.333,10,37,468.912,3.796,6,0.387,0.61,0.999,0.01912994311561922,0.19398944554862588,0.3033034062093071,0.3695428688917826,0.2214914159413337
EOS-3-41345,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)ccn2)nc1,OZQYJVILMHXBDA-UHFFFAOYSA-N,3,1,0.471,73,775,436.357,3.035,5,0.387,0.56,1.0,0.8577890480433144,0.7971352203413062,0.6966366253169762,0.6717154410252896,0.7558190836817216
EOS-3-41346,c1nc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc(-c2csnn2)n1,ISNSMHFRPNJWIF-UHFFFAOYSA-N,3,1,0.392,6,584,456.455,1.859,6,0.39,0.55,1.0,0.3170875882393256,0.36798368857514907,0.049833801658556644,0.04393975738468919,0.19471120896443012
EOS-3-41347,CC(F)c1ncc(-c2nnc3cncc(-c4cc(F)cc(-c5ccccn5)c4)n23)cn1,YAXMUOQIJIJWJD-UHFFFAOYSA-N,3,1,0.305,96,478,415.407,4.48,5,0.43,0.71,0.999,0.2665341648961689,0.34877664313617984,0.6966451922417929,0.6746024946885066,0.49663962374066206
EOS-3-41348,Clc1cncc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4cncs4)c3)n12,SBGJGGALWOCDNN-UHFFFAOYSA-N,3,1,0.512,2,980,456.318,4.591,5,0.382,0.71,1.0,0.6435902268521692,0.6607412103351381,0.6666095538345556,0.7409190596943321,0.6779650126790487
EOS-3-41349,Cc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1ccccn1,BGPCUUPTODNUOC-UHFFFAOYSA-N,3,1,0.462,18,265,461.888,4.366,5,0.371,0.62,0.899,0.8536340895072305,0.797143787266123,0.5992992255499966,0.6167329175519156,0.7167025049688165
EOS-3-41350,Cc1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)c(-c2ccc(F)c(C)n2)n1,YBSBPXZLQUTEMF-UHFFFAOYSA-N,3,1,0.279,10,37,464.468,3.647,6,0.389,0.54,0.998,0.008806798711534508,0.14132855870056885,0.2699780686724693,0.27246247686930297,0.1731439757384689
EOS-3-41351,COCc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)ccn2)cn1,RZZUVZRILWOUAH-UHFFFAOYSA-N,3,1,0.458,97,183,461.432,3.647,5,0.339,0.63,1.0,0.710463641971078,0.6265163456925502,0.7454081282982661,0.6460060996504695,0.6820985539030909
EOS-3-41352,Clc1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(Br)cc5)n34)cn2)cnn1,KYQKZWYBKFIJCH-UHFFFAOYSA-N,3,1,0.481,13,706,481.701,4.247,5,0.375,0.75,1.0,0.7227314783085463,0.852460420807347,0.5832790761428278,0.6312795558906175,0.6974376327873346
EOS-3-41353,Cc1csc(-c2cc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)ccn2)n1,XNVUIXZVWXKRES-UHFFFAOYSA-N,3,1,0.565,75,583,449.927,4.288,5,0.382,0.66,1.0,0.6862363785895415,0.7049037077650606,0.3328164622027277,0.3532571448152971,0.5193034233431567
EOS-3-41354,Clc1cncc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1,HMWBPJDELHRLBO-UHFFFAOYSA-N,3,1,0.625,35,393,463.328,5.177,5,0.346,0.78,1.0,0.7675964635734357,0.8728411349461997,0.8706394352683161,0.9049585360838873,0.8540088924679597
EOS-3-41357,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cnc4F)n23)cn1,JQWYRQXDOJJODK-UHFFFAOYSA-N,3,1,0.495,65,981,448.437,3.364,5,0.352,0.59,1.0,0.695274484271126,0.554905421150024,0.38884415050373516,0.35015591803166335,0.49729499348913714
EOS-3-41358,Cc1nc(C)c(-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)cc1Cl,DGCLYFYMRKDNPA-UHFFFAOYSA-N,3,1,0.286,50,601,418.852,2.709,5,0.439,0.57,0.998,0.12395483517236652,0.1682201357000891,0.04459941059557261,0.07630559934206017,0.10326999520252209
EOS-3-41359,COc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)nc1,QYBJAJUKAGTNLL-UHFFFAOYSA-N,3,1,0.354,46,181,464.848,3.418,5,0.349,0.63,1.0,0.6494842711260366,0.5790984168322939,0.44697930230964295,0.40394763895552055,0.5198774073058735
EOS-3-41360,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)c1,JRUGDAZKOYKHRG-UHFFFAOYSA-N,3,1,0.438,53,643,417.408,2.578,5,0.415,0.62,0.793,0.26914707696525253,0.25842128709478446,0.26276471797683504,0.24573367144129943,0.2590166883695429
EOS-3-41361,Fc1cc(-c2ccnc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)ccc1Cl,SFOXQPWWFFBVCP-UHFFFAOYSA-N,3,1,0.374,13,153,453.264,5.487,5,0.358,0.82,1.0,0.7165118908916456,0.7849444863271879,0.9141422794873553,0.9427815091494757,0.8395950414639162
EOS-3-41362,Fc1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)cnc1F,JVMDDUDZRDWULA-UHFFFAOYSA-N,3,1,0.381,50,243,438.348,3.921,5,0.31,0.71,0.235,0.3296809677198273,0.5410784044959221,0.9141508464121719,0.8868052223973683,0.6679288602563224
EOS-3-41363,COc1ncc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cc1-c1ccccc1,NXQDDBYDNKQRDE-UHFFFAOYSA-N,3,1,0.462,15,657,459.897,3.927,5,0.361,0.64,1.0,0.7197159207730793,0.6948461380302926,0.37397196902199986,0.3564269069974642,0.5362402337057091
EOS-3-41364,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nc(C)c(Cl)nc5C)nc4)n23)n1,NIEFDOOSFJGOKX-UHFFFAOYSA-N,3,1,0.472,7,464,464.942,4.257,5,0.38,0.69,1.0,0.477306216160647,0.5737269549722431,0.06509149475704201,0.061913165650058256,0.2945094578849976
EOS-3-41365,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5nncc(CO)n5)c4)n23)c1,LMMGIPRZIVIBBD-UHFFFAOYSA-N,3,1,0.489,15,438,474.912,3.114,5,0.354,0.66,1.0,0.6179751216503324,0.5791069837571106,0.3180556507436091,0.31832979233774245,0.45836688712219864
EOS-3-41367,Cc1cccnc1-c1cnnc(-c2nnc3cncc(OCc4cnc(CO)cn4)n23)c1,JDFGNQUOLWERTQ-UHFFFAOYSA-N,3,1,0.415,7,535,427.428,1.813,5,0.427,0.56,0.95,0.2880457131108217,0.15662051949832087,0.11527654033308203,0.08496676033171133,0.161227383318484
EOS-3-41368,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)nc5)n34)cn2)nc1,NSZUHMHIJGGYQW-UHFFFAOYSA-N,3,1,0.333,32,191,433.5,5.039,6,0.387,0.72,1.0,0.10782331574258104,0.2381862106778151,0.4890086354602152,0.5047632101980672,0.33494534301966966
EOS-3-41369,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5nccnc5F)n34)ccn2)cn1,UDNRZEULOQLKHI-UHFFFAOYSA-N,3,1,0.467,7,99,431.391,1.644,5,0.422,0.55,0.995,0.572390514700843,0.5048574463710507,0.20604310876567747,0.1716040710026729,0.36372378521006105
EOS-3-41370,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)ncn5)n34)c2)ccn1,SSVWKZZVZNDVGM-UHFFFAOYSA-N,3,1,0.421,18,367,448.849,3.452,5,0.287,0.71,1.0,0.6067781509149476,0.6128949352340484,0.540487286683572,0.5804262901788774,0.5851466657528613
EOS-3-41371,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c(F)c1,OYZRCFOJCJCJLY-UHFFFAOYSA-N,3,1,0.646,43,520,467.867,4.58,5,0.363,0.71,1.0,0.8867538208484682,0.9101329586731547,0.8191265163456926,0.842505654170379,0.8646297375094236
EOS-3-41372,Cc1ccc(-c2nnc3cncc(-c4cc(-c5cc(F)ccn5)cnn4)n23)cc1Cl,OOVXYEQZWZNCJW-UHFFFAOYSA-N,3,1,0.318,96,140,417.835,4.411,5,0.432,0.69,1.0,0.3320797066684943,0.4334521280241245,0.8246436159276266,0.8728754026454664,0.615762713316428
EOS-3-41373,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)nn2C)o1,XWUQZMSTSXGJCN-UHFFFAOYSA-N,3,1,0.436,31,569,421.396,2.039,5,0.405,0.6,0.999,0.3119131656500583,0.15265403330820368,0.05361181550270715,0.05752690014392434,0.14392647865122335
EOS-3-41374,COc1cc(-c2nnc3cncc(COc4ccnc(CO)n4)n23)ccc1-c1ccnc(F)c1,AFWCKHHJPPFJDV-UHFFFAOYSA-N,3,1,0.357,14,351,459.441,2.862,5,0.366,0.58,1.0,0.6893204715235419,0.6314251936125008,0.5235504763210198,0.382427523816051,0.5566809163182783
EOS-3-41375,CCn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC)nc5)n34)nnn2)n1,FRCMMXWLIUUNRT-UHFFFAOYSA-N,3,1,0.398,92,105,458.446,0.588,5,0.363,0.56,0.999,0.24517682132821603,0.16822870262490577,0.006630799808100884,0.0014049756699335207,0.10536032485778905
EOS-3-41376,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)s1,CFNDNWRXEVTXLZ-UHFFFAOYSA-N,3,1,0.321,30,515,452.478,4.573,6,0.387,0.63,0.982,0.2233054622712631,0.32024021657185936,0.31806421766842574,0.4011034199163868,0.31567832910698373
EOS-3-41377,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncc(F)cn6)n5)n34)cc2)n1,XRVQILQSPQCFAZ-UHFFFAOYSA-N,3,1,0.315,32,126,471.459,4.383,6,0.372,0.66,1.0,0.3093088205057912,0.4554348571036941,0.6085001028030979,0.6198341443355493,0.4982694811870331
EOS-3-41378,Cc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)c(-c2ncccc2F)n1,NEPYCTNDDNPRLX-UHFFFAOYSA-N,3,1,0.479,20,658,428.431,3.107,5,0.406,0.53,0.984,0.6952830511959427,0.732566307998081,0.2096326502638613,0.21099479130971147,0.46211920019189906
EOS-3-41379,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc(C)n2)cn1,GUTRJSNUIIPWSA-UHFFFAOYSA-N,3,1,0.421,31,330,459.901,3.325,5,0.352,0.61,1.0,0.57502056061956,0.5137327804811185,0.17264066890548968,0.1661983414433555,0.35689808786238086
EOS-3-41380,Cc1nc(-c2cc(F)c(CO)c(F)c2)cc(-c2nnc3cncc(OCCc4ccccn4)n23)n1,ZHAMUGMEFGWDMW-UHFFFAOYSA-N,3,1,0.474,44,531,475.459,3.344,5,0.382,0.65,0.918,0.6291035569871839,0.45977828798574466,0.5864659721746281,0.534970187101638,0.5525795010622987
EOS-3-41381,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)s5)n34)cc2F)n1,IVMNVIMQVZTZEH-UHFFFAOYSA-N,3,1,0.552,37,669,468.905,3.822,5,0.37,0.65,1.0,0.7844390377630046,0.8356092796929614,0.2739616887122199,0.32768487423754367,0.5554237201014324
EOS-3-41382,Cc1n[nH]c(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccn2)n1,XLMYHUMHGOWAAY-UHFFFAOYSA-N,3,1,0.452,7,606,417.408,2.701,5,0.463,0.6,1.0,0.5508275649372901,0.49573367144129943,0.27782537180453704,0.20500651086286067,0.3823482797614968
EOS-3-41383,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cncc(F)c5)ccn4)n23)c(F)c1,VJZIITPYFDKSOA-UHFFFAOYSA-N,3,1,0.327,14,81,414.419,4.426,5,0.435,0.73,1.0,0.43427455280652455,0.5002570077445,0.8649852648893154,0.872883969570283,0.6681001987526557
EOS-3-41384,C#Cc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)n2)s1,LAVDOYGNLKIDEZ-UHFFFAOYSA-N,3,1,0.291,8,927,450.491,2.877,6,0.38,0.58,1.0,0.07511479679254335,0.08213967514221095,0.08987560825166198,0.10903981906654787,0.08904247481324103
EOS-3-41385,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)n4)n23)c1F,BZLNLPWKOZGURG-UHFFFAOYSA-N,3,1,0.398,46,564,452.812,3.549,5,0.373,0.58,1.0,0.8489736824069632,0.7419642245219656,0.6586765814543212,0.6891062984031252,0.7346801966965938
EOS-3-41386,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)ccc1F,WVBQBFNHHPUWLW-UHFFFAOYSA-N,3,1,0.474,20,778,428.431,3.107,5,0.406,0.52,1.0,0.6264049756699335,0.6459718319512028,0.44348399698444246,0.42654718662189023,0.5356019978068672
EOS-3-41387,CCn1cncc1-c1cc(-c2nnc3cncc(Cc4cncc(CO)n4)n23)nc(C)n1,HDVCATMZQMUZFV-UHFFFAOYSA-N,3,1,0.248,31,330,428.46,1.646,5,0.428,0.5,0.995,0.05142724967445686,0.013672812007401823,0.028604961962853816,0.017519361250085668,0.027806096223699544
EOS-3-41388,CCOc1nn(C)cc1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)nc4)c3)n12,KCAQZGJUNPLXGT-UHFFFAOYSA-N,3,1,0.424,2,36,462.901,3.613,5,0.338,0.69,1.0,0.3269138510040436,0.3914998971969022,0.33983277362757863,0.287291823726955,0.33638458638886987
EOS-3-41389,COc1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ncon1,CZSDUAFIDFNLDN-UHFFFAOYSA-N,3,1,0.436,18,896,434.391,2.4,5,0.377,0.56,0.996,0.6981615379343431,0.4288688232472072,0.17901446096909054,0.14063463779041877,0.36166986498526493
EOS-3-41390,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)n1,ZHAXFKVMIBGLEQ-UHFFFAOYSA-N,3,1,0.478,44,531,463.423,3.991,5,0.376,0.58,1.0,0.8093859228291412,0.6999348913713933,0.722380234391063,0.7222003289699129,0.7384753443903777
EOS-3-41391,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)cn2)n1,VYHLBIQAGVURBU-UHFFFAOYSA-N,3,1,0.342,22,649,407.8,2.836,5,0.453,0.85,1.0,0.20697690357069426,0.3823675553423343,0.35512473442533066,0.5012679048728669,0.3614342745528065
EOS-3-41392,Fc1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5ncc(Cl)nn5)c4)n23)nc1,WYEWCGICXDVDAO-UHFFFAOYSA-N,3,1,0.394,46,915,453.8,2.944,5,0.37,0.54,1.0,0.822416215475293,0.7141474196422453,0.4542611884038106,0.5148978822561853,0.6264306764443835
EOS-3-41393,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)c(F)n4)n23)cnn1,OFTNWSFXPWKDLR-UHFFFAOYSA-N,3,1,0.245,99,112,471.395,1.569,6,0.345,0.62,0.003,0.08356178466177781,0.16022719484613804,0.06122781166472483,0.1184548694400658,0.10586791515317662
EOS-3-41394,c1cc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)s2)ccn1,GNKVXLMMYYXKQY-UHFFFAOYSA-N,3,1,0.333,42,983,434.488,4.434,6,0.405,0.63,1.0,0.04985950243300665,0.14494380097320267,0.39989548351723664,0.42025049688163935,0.25373732095127133
EOS-3-41395,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5)c4)n23)nc1Cl,VZRZLEZNNDLNIX-UHFFFAOYSA-N,3,1,0.5,11,137,446.873,4.662,5,0.353,0.7,1.0,0.8536426564320472,0.8785724076485505,0.7665084641217189,0.810037009115208,0.8271901343293812
EOS-3-41396,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)c(F)cn5)n34)ncn2)nc1,MMHPTYRXSTYUFD-UHFFFAOYSA-N,3,1,0.394,44,481,466.839,3.591,5,0.374,0.57,0.991,0.6740456445754232,0.6364282777054349,0.6348947981632513,0.6864505517099582,0.6579548180385169
EOS-3-41397,Fc1cnc(CCOc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)nc1Cl,URUFFHNCCMHTCH-UHFFFAOYSA-N,3,1,0.427,2,795,466.839,3.591,5,0.35,0.66,1.0,0.8197176341580427,0.8171646905626756,0.5062024535672675,0.5925998903433624,0.683921167157837
EOS-3-41398,Cc1ccc(-c2nnc3cncc(-c4ccc(CC(F)(F)c5ncc(F)cn5)n4C)n23)nn1,JBRPOHSKSKHUAT-UHFFFAOYSA-N,3,1,0.243,50,542,451.416,3.159,5,0.405,0.55,0.994,0.21792543348639573,0.20791926530052773,0.5235590432458365,0.4105698718388047,0.33999340346789114
EOS-3-41399,Cc1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)s1,JAOSWIBDLMJZDB-UHFFFAOYSA-N,3,1,0.301,86,513,452.467,2.322,6,0.388,0.52,0.179,0.05143581659927352,0.11375162771571516,0.01544616544445206,0.01919847851415256,0.04995802206839833
EOS-3-41400,Cc1ncc(-c2cccc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)s1,JSUINSXKEHFNPX-UHFFFAOYSA-N,3,1,0.416,13,655,420.885,5.064,5,0.404,0.82,1.0,0.5836817216092112,0.612903502158865,0.5371033513809883,0.5379686107874717,0.5679142964841342
EOS-3-41401,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)nnc2F)c1,HBZSXQVXFCZIJA-UHFFFAOYSA-N,3,1,0.385,65,466,463.864,3.156,5,0.374,0.56,0.999,0.7010828592968268,0.617700980056199,0.24491981358371598,0.3122472757179083,0.4689877321636625
EOS-3-41402,Fc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc1-c1cnccn1,RIOLAMFIIAUFEC-UHFFFAOYSA-N,3,1,0.402,46,564,452.812,3.549,5,0.373,0.56,1.0,0.8224247824001096,0.7505911178123501,0.7454166952230827,0.7616081831265848,0.7700101946405318
EOS-3-41403,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cc1,WKQIYHVXDMANKX-UHFFFAOYSA-N,3,1,0.311,30,668,415.46,4.706,6,0.417,0.77,0.997,0.007556027688301007,0.045293331505722706,0.6055616475909807,0.6543160167226373,0.32818175587691045
EOS-3-41404,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cc(Cl)cnn5)s4)n23)c(F)c1,UNXSXAYFLDBDLO-UHFFFAOYSA-N,3,1,0.483,16,389,453.89,4.385,5,0.39,0.66,1.0,0.6862449455143582,0.7805924885203207,0.4716349119320129,0.5479405112740731,0.6216032143101912
EOS-3-41405,Cc1nnc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)cc1Cl,NDHSZCDUUCGNJL-UHFFFAOYSA-N,3,1,0.488,4,820,453.89,4.385,5,0.39,0.66,1.0,0.637739017202385,0.7141559865670619,0.55057055719279,0.5955897471043794,0.6245138270166541
EOS-3-41406,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ncc1-c1ccon1,FCVSQUULHVDOJN-UHFFFAOYSA-N,3,1,0.442,46,122,435.831,3.477,5,0.37,0.6,1.0,0.48454526763073125,0.4243883215680899,0.3999040504420533,0.35016448495648,0.41475053114933863
EOS-3-41407,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ncn1,MDMLPPBAZIEHKV-UHFFFAOYSA-N,3,1,0.398,31,194,447.89,3.135,5,0.35,0.6,1.0,0.4484442464532931,0.320248783496676,0.22707490919059695,0.23127270235076416,0.30676016037283255
EOS-3-41408,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5cnc(Cl)c(F)c5)cnn4)n23)nc1,LGMVKMCNAKKZAD-UHFFFAOYSA-N,3,1,0.385,51,65,467.827,2.986,5,0.347,0.6,1.0,0.6586423137550544,0.6459803988760194,0.4469878692344596,0.5246384757727366,0.5690622644095675
EOS-3-41409,Clc1cccc(COc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)n1,UJBSTNBKXUNUHD-UHFFFAOYSA-N,3,1,0.531,2,419,421.873,3.937,5,0.397,0.66,1.0,0.4207216777465561,0.5274312932629703,0.4855047632101981,0.514906449181002,0.48714104585018164
EOS-3-41410,Cc1cnc(-c2cc(-c3cncc4nnc(-c5nccnc5-c5nnc(C)s5)n34)n[nH]2)nn1,FAJQYOCROVCPNC-UHFFFAOYSA-N,3,1,0.238,99,953,455.471,1.959,6,0.413,0.53,0.343,0.026677403879103556,0.0715081214447262,0.0038379823178671785,0.002193132753066959,0.026054160098690972
EOS-3-41411,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)n1,UKUISROXQHIUJX-UHFFFAOYSA-N,3,1,0.536,24,28,450.289,4.529,5,0.364,0.69,1.0,0.5723990816256597,0.7141645534918786,0.577136591049277,0.6658727983003221,0.6323932561167843
EOS-3-41412,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)ncn1,ZMIATNDZNLLSEJ-UHFFFAOYSA-N,3,1,0.418,28,363,462.477,3.018,6,0.367,0.56,1.0,0.3530429716948804,0.2231512576245631,0.15043519978068673,0.14784798848605304,0.21861935439654584
EOS-3-41413,Clc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccns5)n34)c2)nc1,SKTIVYLANKAFLZ-UHFFFAOYSA-N,3,1,0.476,2,491,422.861,3.332,5,0.424,0.6,1.0,0.5836902885340278,0.5690151463230758,0.23438249605921457,0.2815262833253375,0.417153553560414
EOS-3-41414,COc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cc4)n23)cc1F,FMEWQMDHNCWXGR-UHFFFAOYSA-N,3,1,0.41,96,558,415.403,4.807,5,0.394,0.84,1.0,0.5377715715166884,0.6409430470838188,0.94986635597286,0.9343002535809746,0.7657203070385854
EOS-3-41415,Cc1cc(-c2nnc3cncc(OCCc4cncs4)n23)cc(-c2cnc(C)s2)n1,MPIJTHSMNBGEJY-UHFFFAOYSA-N,3,1,0.519,65,661,435.538,4.005,5,0.398,0.62,1.0,0.509594955794668,0.3962374066205195,0.09425330683297924,0.06863820163114248,0.26718096771982724
EOS-3-41416,N#Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)nn5)nc4)n23)cc1,OAWRNIQONWRMIL-UHFFFAOYSA-N,3,1,0.486,85,740,409.388,2.64,5,0.444,0.73,0.998,0.4093019669659379,0.4597868549105613,0.4645586320334453,0.5012764717976835,0.45873098142690694
EOS-3-41417,Cc1ncncc1-c1cc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)nn1C,HGZRFFOREWYMLG-UHFFFAOYSA-N,3,1,0.406,95,998,468.855,3.801,5,0.362,0.66,0.859,0.4577393598793777,0.4957422383661161,0.6938009732026592,0.697673223219793,0.5862389486669864
EOS-3-41418,Cn1cc(-c2nc(COc3cncc4nnc(-c5cc(-c6cccnc6)ccn5)n34)ccc2F)cn1,XXYSALRKFHZQRQ-UHFFFAOYSA-N,3,1,0.433,6,414,479.479,3.762,6,0.355,0.72,0.995,0.35790041806593104,0.3338787608799945,0.48551333013501474,0.4454543896922761,0.4056867246933041
EOS-3-41419,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cnccn5)cs4)n23)cn1,MGPCHBFBKJWQRS-UHFFFAOYSA-N,3,1,0.436,80,277,468.506,3.079,6,0.363,0.63,1.0,0.34159756013981224,0.3338873278048112,0.07569734768007676,0.06052532382975807,0.20292688986361454
EOS-3-41420,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)ncn2)cn1,KZJZRESDUMCOOI-UHFFFAOYSA-N,3,1,0.517,59,675,468.279,4.668,5,0.346,0.75,1.0,0.8991073264341032,0.9601380988280447,0.8824874922897676,0.9038105681584538,0.9113858714275922
EOS-3-41422,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)cn1,UHBBBMRSGIZKBW-UHFFFAOYSA-N,3,1,0.417,18,466,429.419,2.502,5,0.375,0.56,0.998,0.615148036460832,0.5181618806113357,0.2778339387293537,0.24306079089849908,0.41355116167500505
EOS-3-41423,Cn1nc(-c2cncnn2)nc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,ZQQLCZRSJXJPQA-UHFFFAOYSA-N,3,1,0.352,99,502,454.418,0.531,6,0.37,0.6,0.767,0.36933726269618256,0.2895791926530053,0.0059368788979507914,0.003315399904050442,0.16704218353779726
EOS-3-41424,COc1ccc(-c2nnc3cncc(OCc4cc(C#N)ccc4F)n23)cc1-c1ccccc1,MAQQPGQTQJKRDV-UHFFFAOYSA-N,3,1,0.529,79,347,451.461,5.057,5,0.359,0.76,1.0,0.9706325817284628,0.9435268316085258,0.9492238366116099,0.9215441025289562,0.9462318381193887
EOS-3-41425,CCc1cnccc1-c1nnc2cncc(-c3cnc(-c4ccc(C)nn4)cc3F)n12,LNAQTSJOPJQNCG-UHFFFAOYSA-N,3,1,0.303,50,844,412.432,3.715,5,0.444,0.7,0.98,0.2770286477965869,0.3149201562607087,0.4033479542183538,0.37596806250428344,0.3428162051949832
EOS-3-41426,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnc(C)s6)nn5C)n34)cc2)s1,XLWUCHVWTBKVRQ-UHFFFAOYSA-N,3,1,0.31,98,424,472.563,3.846,6,0.38,0.66,1.0,0.032665684325954354,0.07151668836954286,0.022316839147419644,0.019952367898019328,0.03661289493523404
EOS-3-41427,Fc1cncc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ccc(F)nc5)c4)n23)c1,LOLIPEDCGQOERJ-UHFFFAOYSA-N,3,1,0.506,35,429,465.851,4.196,5,0.347,0.65,1.0,0.9315674045644575,0.9378726612295251,0.8191350832705092,0.8346497841134947,0.8808062332944967
EOS-3-41428,Cc1csc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n1,AXDNLPHKAOCCNP-UHFFFAOYSA-N,3,1,0.404,31,658,417.458,2.425,5,0.41,0.66,0.722,0.36449695017476524,0.2079278322253444,0.032040298814337606,0.026651703104653552,0.1577791960797752
EOS-3-41429,CCn1cncc1-c1cccc(-c2nnc3cncc(COc4ccc(F)cc4)n23)c1,XZMMDVSISWJKJL-UHFFFAOYSA-N,3,1,0.402,14,18,414.444,4.393,5,0.412,0.77,1.0,0.44845281337810977,0.4642416558152286,0.7198615584949627,0.6806250428346241,0.5782952676307314
EOS-3-41430,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)ccn2)cnc1C#N,AAFQUBOXPNFBAA-UHFFFAOYSA-N,3,1,0.506,75,530,453.441,2.979,5,0.356,0.6,1.0,0.8224333493249263,0.7721283668014529,0.3739805359468165,0.32436090740867657,0.573225789870468
EOS-3-41431,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)c(Cl)c4)n23)ccn1,ZZSZGZDUOAYULP-UHFFFAOYSA-N,3,1,0.588,72,386,453.89,4.119,5,0.357,0.66,1.0,0.7347765746007813,0.8093259543554245,0.6692481666780893,0.7168631348091289,0.732553457610856
EOS-3-41432,COc1ccc(C(=O)c2ccc(-c3cncc4nnc(-c5ccnnc5)n34)[nH]2)cc1F,GOUHYFSGIRPXKL-UHFFFAOYSA-N,3,1,0.319,22,374,415.388,2.955,5,0.439,0.67,1.0,0.34641217188677953,0.32481495442395997,0.6528425056541703,0.5512216434788568,0.4688228188609417
EOS-3-41433,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)nc4)n23)cn1,MSJMXHSNTSRMDF-UHFFFAOYSA-N,3,1,0.494,7,85,415.392,2.46,5,0.427,0.62,1.0,0.7729679254334864,0.7232711945719964,0.23787780138441506,0.1908453841409088,0.4812405763827017
EOS-3-41434,COc1nc(-c2csc(C)n2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,BWNSXOMULIXYNJ-UHFFFAOYSA-N,3,1,0.472,24,710,465.926,4.254,5,0.343,0.75,1.0,0.5584178603248577,0.5940305667877459,0.30683297923377423,0.24306935782331573,0.42558769104242344
EOS-3-41435,C#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4OC)n23)s1,HGKQONZPSDKANY-UHFFFAOYSA-N,3,1,0.506,24,710,441.476,3.274,5,0.37,0.62,1.0,0.32968953464464396,0.2843619354396546,0.15351929271468714,0.09850250154204647,0.216518316085258
EOS-3-41436,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)s1,SGEALIDYZGWMIE-UHFFFAOYSA-N,3,1,0.442,53,873,449.927,4.288,5,0.382,0.59,0.923,0.5352357617709547,0.560139812213008,0.3435679528476458,0.38552018367486807,0.4561159276266192
EOS-3-41437,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cncc(CO)n5)c4)n23)c(OC)n1,SDKFASRBCVBZSN-UHFFFAOYSA-N,3,1,0.273,82,514,469.465,1.566,5,0.374,0.66,0.953,0.30661880611335757,0.12357789048043315,0.0942618737577959,0.039030909464738535,0.14087236995408128
EOS-3-41438,Cc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)c(F)n4)n23)n1,WLVXEXDATZQLBY-UHFFFAOYSA-N,3,1,0.415,46,223,437.435,3.87,5,0.386,0.62,1.0,0.5640548968542252,0.5457987800699061,0.48199232403536424,0.45183674868069357,0.5109206874100473
EOS-3-41439,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)ccn1,QPMNBBVEMPOTSB-UHFFFAOYSA-N,3,1,0.506,36,895,410.401,1.827,5,0.425,0.77,1.0,0.6435987937769858,0.47749468850661364,0.20605167569049415,0.22244876978959632,0.38739848194092247
EOS-3-41440,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnn5)n4)n23)c1,GTPRKJQSUFKCIT-UHFFFAOYSA-N,3,1,0.469,71,218,480.467,3.157,6,0.354,0.7,1.0,0.48702110890274825,0.3775700774450003,0.39239085737783563,0.35643547392228087,0.4033543794119663
EOS-3-41441,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)c2)nc1,MYGFUPJOWISAKS-UHFFFAOYSA-N,3,1,0.632,59,293,467.291,5.273,5,0.35,0.83,1.0,0.9702984716606127,0.9784798848605305,0.9161383729696388,0.9351483791378247,0.9500162771571516
EOS-3-41442,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)ccn1,XLXDJNWXOCPCHH-UHFFFAOYSA-N,3,1,0.424,18,840,414.404,2.799,5,0.391,0.69,1.0,0.5403159481872387,0.4861815502707148,0.3814937290110342,0.37597662942910015,0.4459919642245219
EOS-3-41443,CCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ncn2)nc1,IFODDGLPPJJNQX-UHFFFAOYSA-N,3,1,0.4,44,488,463.423,4.202,5,0.349,0.69,0.377,0.7407048865739154,0.6510691522171201,0.8517065314234802,0.7925861832636557,0.7590166883695428
EOS-3-41444,c1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnsc6)nc5)n34)on2)cnn1,OWJHQSRNFRRFGO-UHFFFAOYSA-N,3,1,0.301,70,723,425.437,3.422,6,0.418,0.59,1.0,0.10303440477006373,0.1413371256253855,0.2815862517990542,0.29341717497087244,0.20484373929134397
EOS-3-41445,N#Cc1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)ncc4Cl)n23)cc1Cl,PYCUPDROFBAGRO-UHFFFAOYSA-N,3,1,0.538,90,255,465.222,4.963,4,0.423,0.67,1.0,0.9608834212870948,0.9681653073812624,0.9965218285244328,0.9946114042903159,0.9800454903707765
EOS-3-41446,COCc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nn2C)n(C)n1,FVAYPDBTSISVNC-UHFFFAOYSA-N,3,1,0.396,31,569,446.475,1.483,5,0.349,0.59,1.0,0.03952779110410527,0.000848125556850113,0.02232540607223631,0.011248372284284833,0.018487423754369132
EOS-3-41447,Clc1ccccc1-c1nncnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,DXGPGTNPCFJZFX-UHFFFAOYSA-N,3,1,0.329,39,596,464.88,3.816,6,0.383,0.56,0.998,0.20141696936467685,0.27907614282777055,0.3398413405523953,0.4765009252278802,0.3242088444931807
EOS-3-41448,Cc1cncc(-c2cccc(-c3nnc4cncc(OCCc5cncs5)n34)c2)n1,MFDBOHUVRUCPGH-UHFFFAOYSA-N,3,1,0.543,35,426,415.482,3.635,5,0.418,0.71,1.0,0.5896785689808787,0.4816153793434309,0.22004146391611268,0.1960797752038928,0.3718537968610788
EOS-3-41449,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5)n4)n23)c1,BZWWTQVGHYIXBE-UHFFFAOYSA-N,3,1,0.31,39,144,469.871,4.289,6,0.379,0.64,0.996,0.02212836680145295,0.172426495785073,0.45426975532862723,0.640163456925502,0.3222470187101638
EOS-3-41450,Cc1ncc(-c2nc(C)c(F)cc2-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cn1,YCKPEZWEFNIPNC-UHFFFAOYSA-N,3,1,0.282,98,213,479.483,3.257,6,0.374,0.65,1.0,0.17320608594338976,0.2584298540196011,0.1758875334110068,0.17989685422520732,0.19685508189980125
EOS-3-41451,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)ncn1,LOIYQQTUEHZUFN-UHFFFAOYSA-N,3,1,0.418,31,395,466.469,1.751,6,0.356,0.58,1.0,0.26915564389006924,0.13386676718525117,0.07134534987320951,0.05900897813720787,0.13334418477143445
EOS-3-41452,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccnc(F)n5)cn4)n23)cc1,WTDBKWPHYUKJDU-UHFFFAOYSA-N,3,1,0.307,32,20,464.439,4.651,6,0.351,0.69,0.995,0.25565417037900073,0.4243968884929066,0.7301076005756973,0.7589353025837845,0.5422734905078472
EOS-3-41453,Cc1cnc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)cn1,OSXRZFLNCMYWLT-UHFFFAOYSA-N,3,1,0.379,51,48,415.392,2.46,5,0.399,0.66,1.0,0.5481889520937564,0.5229250908094031,0.2378863683092317,0.20501507778767733,0.3785038722500171
EOS-3-41454,Fc1cnc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)cnn4)n23)s1,FGDPONLYHMNNJN-UHFFFAOYSA-N,3,1,0.472,19,207,437.435,3.605,5,0.401,0.57,1.0,0.5508361318621068,0.5137413474059351,0.385186073607018,0.4886830923171818,0.4846116612980605
EOS-3-41455,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4)n23)s1,YWFMBYSCXMWVJG-UHFFFAOYSA-N,3,1,0.33,10,314,469.509,4.22,6,0.381,0.67,0.994,0.08834212870947844,0.2534010691522171,0.17264923583030636,0.24870639435268316,0.19077470701117127
EOS-3-41456,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)cn5)n34)nc2)n1,HWXPSDCQBJRUEW-UHFFFAOYSA-N,3,1,0.378,99,816,465.441,1.203,6,0.346,0.58,0.997,0.32692241792886023,0.12358645740524982,0.04984236858337331,0.034610376259337945,0.1337404050442053
EOS-3-41457,Cc1ccc(-c2nnc3cncc(-c4ccc(F)cc4OCc4ccc(F)c(F)c4)n23)cn1,YRJMNQXABYKECA-UHFFFAOYSA-N,3,1,0.461,57,533,447.42,5.158,5,0.373,0.74,1.0,0.6981701048591598,0.8493763278733466,0.970187101637996,0.959769721060928,0.8693758138578576
EOS-3-41458,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cn2)cc1,FIEKPHRCOOMJNP-UHFFFAOYSA-N,3,1,0.32,30,668,415.46,4.706,6,0.417,0.75,1.0,0.012387773284901652,0.04161812075937221,0.6442927146871359,0.6687684188883558,0.3417667569049414
EOS-3-41459,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)c(F)c1,ITMYLBQJJOUGDF-UHFFFAOYSA-N,3,1,0.283,39,872,472.394,3.308,6,0.359,0.6,0.999,0.019138510040435885,0.16823726954972243,0.5602683160852581,0.6630971146597218,0.3526853025837845
EOS-3-41460,COc1ccncc1COc1cncc2nnc(-c3ccc(-c4cnc(C#N)[nH]4)cc3Cl)n12,GVPJTLISYAJBGF-UHFFFAOYSA-N,3,1,0.442,16,256,458.869,3.689,5,0.408,0.61,1.0,0.661932012884655,0.7505996847371668,0.7404136111301487,0.6543245836474539,0.7018174730998561
EOS-3-41461,O=C(O)c1ccc(-c2nnc3cncc(CCc4ncnc(-c5cncc(Cl)c5)c4F)n23)nc1,XPTDOBPIXYUDGL-UHFFFAOYSA-N,3,1,0.321,85,580,476.859,3.314,5,0.392,0.66,0.687,0.3217736961140429,0.17243506270988965,0.2592265780275512,0.2934257418956891,0.2617152696867932
EOS-3-41462,Cc1ccc(-c2nnc3cncc(OCc4cnn(C)c4-c4cccc(F)c4)n23)cc1,DBKBNOVPIVVSIU-UHFFFAOYSA-N,3,1,0.568,43,230,414.444,4.218,5,0.431,0.75,1.0,0.6377475841272017,0.5843842094441779,0.6883695428688917,0.660072990199438,0.6426435816599273
EOS-3-41463,Clc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5cccc(Cl)n5)c4)n23)c1,DOFFVYIQOQJHON-UHFFFAOYSA-N,3,1,0.511,24,583,464.316,4.572,5,0.34,0.7,1.0,0.7615996162017682,0.7633986704132685,0.6144369817010485,0.7031217874031938,0.7106392639298197
EOS-3-41464,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccn(-c5nsc(=O)n5C)n4)n23)nc1,UZDJTBSBDBBRRP-UHFFFAOYSA-N,3,1,0.408,33,760,464.471,0.466,5,0.378,0.6,0.997,0.14318758138578574,0.06012267836337468,0.004429100130217257,0.0007453224590500993,0.05212117058460694
EOS-3-41465,Cc1csc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,YOQJCGWFUNSRIS-UHFFFAOYSA-N,3,1,0.435,18,578,449.927,4.288,5,0.357,0.66,1.0,0.5508446987869234,0.5601483791378247,0.3252604345144267,0.3309488725926941,0.44180059625796725
EOS-3-41466,Cc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5cnc(C)s5)c4)n23)c(Cl)n1,PFICRBMJHXVRDI-UHFFFAOYSA-N,3,1,0.473,75,661,464.942,3.992,5,0.371,0.64,1.0,0.5640634637790419,0.6129120690836817,0.09921355630182989,0.11146425878966486,0.3469133369885546
EOS-3-41467,Oc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)ccc1-c1ncccn1,GRYQUHRRNISFPI-UHFFFAOYSA-N,3,1,0.483,27,534,448.393,3.261,5,0.417,0.52,1.0,0.6619405798094716,0.5984768007675965,0.5739411280926598,0.4486498526488932,0.5707520903296552
EOS-3-41468,Fc1ccc(OC(F)F)cc1-c1nnc2cncc(-c3ncnc(-c4ccnc(Cl)c4)n3)n12,BKIGYBOHMWDSOI-UHFFFAOYSA-N,3,1,0.382,29,704,470.802,4.099,5,0.354,0.69,0.98,0.5377801384415051,0.8425913234185457,0.8635717222945651,0.8811596189431842,0.78127570077445
EOS-3-41469,Cc1coc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nc2C)n1,CTDDFRDQFRYKOS-UHFFFAOYSA-N,3,1,0.602,19,684,446.898,4.733,5,0.372,0.7,1.0,0.6318621067781509,0.6129206360084984,0.410227194846138,0.407314440408471,0.5155810945103145
EOS-3-41470,Cc1nc(-c2ccc(F)c(-c3cncc4nnc(-c5nccnc5-c5ncnn5C)n34)c2)n(C)n1,WLUFXTSKUJUAIL-UHFFFAOYSA-N,3,1,0.301,99,972,468.46,2.287,6,0.382,0.55,0.89,0.12107634843396614,0.18523404838599136,0.02861352888767048,0.04023027893907203,0.09378855116167502
EOS-3-41471,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nnc(Cl)o5)nc4)n23)cc1,HWFJWLWVDISCJJ-UHFFFAOYSA-N,3,1,0.31,10,543,472.831,3.548,6,0.375,0.61,0.888,0.27436433417860323,0.40136042766088686,0.26641422794873554,0.41057843876362143,0.33817935713796177
EOS-3-41472,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(O)cn4)n23)cc1Cl,YLQQAJDFNUIDGZ-UHFFFAOYSA-N,3,1,0.337,63,306,407.821,2.5,5,0.533,0.81,1.0,0.3296981015694606,0.3727126310739497,0.10688095401274758,0.2194760468782126,0.25719193338359264
EOS-3-41473,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cs1,AVOGXIRLRSNEPN-UHFFFAOYSA-N,3,1,0.506,87,76,415.482,3.635,5,0.418,0.73,1.0,0.5610821739428414,0.37272119799876635,0.2592351449523679,0.2141217188677952,0.35179005894044274
EOS-3-41474,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)ccn1,RJNSCXWOYMQAIW-UHFFFAOYSA-N,3,1,0.538,75,278,461.888,4.388,5,0.355,0.63,1.0,0.8713590569529162,0.7932801041738058,0.6144455486258653,0.6167414844767323,0.7239565485573299
EOS-3-41475,Cc1nc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1-c1nccs1,KWNXYNUBNKAXJF-UHFFFAOYSA-N,3,1,0.511,44,159,450.474,4.518,5,0.379,0.65,0.99,0.7134363648824618,0.7095384140908779,0.6055702145157974,0.5864231375505449,0.6537420327599204
EOS-3-41476,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccccn5)ncn4)n23)c(F)c1,LZBMIALIMRARMY-UHFFFAOYSA-N,3,1,0.547,24,633,417.379,3.501,5,0.432,0.63,1.0,0.7469587416900829,0.8249348913713933,0.6883781097937085,0.6920961551641422,0.7380919745048318
EOS-3-41477,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5ccccc5)nn4)n23)cc1F,BXNUQYVTHBKNTN-UHFFFAOYSA-N,3,1,0.406,93,107,463.451,5.256,6,0.355,0.79,1.0,0.2989428414776232,0.5181704475361524,0.8209598382564595,0.8811681858680008,0.629810328284559
EOS-3-41478,Cc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3cc(Cl)ncc3F)n12,BKAQWWRNHYVZOL-UHFFFAOYSA-N,3,1,0.435,16,55,449.877,4.267,5,0.373,0.63,1.0,0.6833321910766911,0.6314337605373175,0.8054794051127407,0.7589438695086012,0.7197973065588376
EOS-3-41479,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5csnn5)ncn4)n23)cn1,JISPYACSPFSPCK-UHFFFAOYSA-N,3,1,0.462,27,185,439.411,3.011,5,0.393,0.58,1.0,0.4007007744500034,0.4861901171955315,0.42850901240490713,0.35975944075114796,0.4187898362003975
EOS-3-41480,Cc1nn(C)c(-c2cccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)n2)c1Cl,PABWNEJOIFCQEO-UHFFFAOYSA-N,3,1,0.535,34,10,467.867,4.406,5,0.381,0.69,1.0,0.5120450962922349,0.7049122746898773,0.6174525392365157,0.6687769858131725,0.6257967240079501
EOS-3-41481,CCn1nc(C)cc1-c1cccc(COc2cncc3nnc(-c4ccccn4)n23)c1,PUPFKSUVXYPJCS-UHFFFAOYSA-N,3,1,0.483,89,348,411.469,3.957,5,0.421,0.85,1.0,0.2179340004112124,0.1077547803440477,0.252347337399767,0.20200808717702692,0.1950110513330135
EOS-3-41482,COc1cc(-c2cnc(C)nc2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,HVMPPIXIXDORAU-UHFFFAOYSA-N,3,1,0.527,35,4,473.924,4.235,5,0.346,0.71,1.0,0.6981786717839764,0.6607497772599548,0.6174611061613323,0.504771777122884,0.6202903330820368
EOS-3-41483,Cc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cn2)cn1,GIWGREQABICVRJ-UHFFFAOYSA-N,3,1,0.556,7,212,465.304,4.233,5,0.38,0.64,1.0,0.6494928380508532,0.8811082173942841,0.537111918305805,0.6014152559797136,0.667282057432664
EOS-3-41484,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)nn5)n34)ncn2)nc1,IEKKMXBCFAMHCZ-UHFFFAOYSA-N,3,1,0.387,46,842,454.788,2.339,5,0.39,0.51,0.686,0.5866287437461449,0.5549139880748406,0.27397025563703653,0.3501730518812967,0.44142150983482964
EOS-3-41485,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)c1,RPYLJAVKTKQUAL-UHFFFAOYSA-N,3,1,0.478,16,55,419.395,3.444,5,0.406,0.62,1.0,0.7134449318072784,0.48619868412034817,0.7779453087519704,0.7222088958947296,0.6749494551435817
EOS-3-41486,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)cc1F,FQGUBZGZNQRKJH-UHFFFAOYSA-N,3,1,0.539,37,610,468.855,3.535,5,0.352,0.62,1.0,0.8489822493317799,0.8585343705023645,0.6260194640531834,0.6658813652251387,0.7498543622781166
EOS-3-41487,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccnn5)c4)n23)nc1,BPJXSZJSMIPWFD-UHFFFAOYSA-N,3,1,0.407,53,915,417.82,2.666,5,0.425,0.56,0.999,0.6495014049756699,0.704920841614694,0.269986635597286,0.33405009937632785,0.4896147453909944
EOS-3-41488,Fc1cc(-c2nnccc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1Cl,YFIVPEKMWNAFCX-UHFFFAOYSA-N,3,1,0.381,45,315,453.815,5.04,5,0.379,0.69,1.0,0.4160098690973888,0.6750736755534233,0.9562058803371941,0.9597782879857446,0.7517669282434377
EOS-3-41489,OCCc1ncccc1COc1cncc2nnc(-c3ccc(-c4ccccn4)c(Cl)n3)n12,RHQUFRFFZPDVSB-UHFFFAOYSA-N,3,1,0.453,49,348,459.897,3.411,5,0.368,0.68,0.998,0.43912343225275857,0.41545301898430537,0.35513330135014737,0.3793091631827839,0.3972547289424988
EOS-3-41490,Cc1nc(CCOc2cncc3nnc(-c4cnnc(-c5cccc(F)c5)c4)n23)ccc1F,CINYAYMSYOGPPM-UHFFFAOYSA-N,3,1,0.489,19,639,445.433,3.851,5,0.392,0.56,1.0,0.7347851415255979,0.7277945308751971,0.6260280309780001,0.6312881228154342,0.6799739565485573
EOS-3-41491,CCc1nc(-c2ccncc2)ccc1-c1nnc2cncc(-c3cnc(-c4ccccc4)nn3)n12,UDGINBZXZOAYJU-UHFFFAOYSA-N,3,1,0.333,30,945,457.501,4.33,6,0.376,0.6,0.999,0.1595932424097046,0.09481015694606264,0.1921389897882256,0.23415975601398123,0.1701755362894935
EOS-3-41492,Fc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncc(Cl)cc5Cl)c4)n23)nc1,GIJJBQFWMDBYIT-UHFFFAOYSA-N,3,1,0.42,46,915,468.279,4.668,5,0.37,0.69,1.0,0.8298523062161607,0.8093345212802412,0.7847560139812213,0.8478599821807964,0.8179507059146048
EOS-3-41493,COc1ncc(-c2nnc3cncc(OCc4cc(-c5nn(C)nc5C)ccn4)n23)cn1,NKANEFIISBAKGO-UHFFFAOYSA-N,3,1,0.461,92,986,430.432,1.668,5,0.392,0.57,1.0,0.16522171201425537,0.10105544513741348,0.029770063737920637,0.008224247824001097,0.07606786717839764
EOS-3-41494,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccc(F)c(Cl)c1,GRGYGFIKHHXPFL-UHFFFAOYSA-N,3,1,0.528,95,998,467.867,4.14,5,0.349,0.69,1.0,0.5955040778562127,0.5791155506819272,0.784764580906038,0.8100455760400247,0.6923574463710507
EOS-3-41495,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(C#N)c5F)n34)ccn2)s1,ZMHBKHIUAQQILB-UHFFFAOYSA-N,3,1,0.483,24,483,462.445,3.742,5,0.388,0.63,1.0,0.737749297512165,0.6559437324378041,0.634903365088068,0.6014238229045302,0.6575050544856419
EOS-3-41496,Cn1cnc(C(O)(c2ccc(-c3cncc4nnc(-c5ccc(F)cn5)n34)n2C)C(F)(F)F)n1,POOSWYQBJRAOSI-UHFFFAOYSA-N,3,1,0.279,50,542,473.394,2.258,5,0.399,0.63,0.693,0.19580563360975944,0.3440648344870125,0.8918254403399356,0.7788962374066205,0.552648036460832
EOS-3-41497,OCCc1nc(Cl)cnc1COc1cncc2nnc(-c3ccc(C(F)F)cc3Cl)n12,JHVGDFJGCMRUQT-UHFFFAOYSA-N,3,1,0.457,68,127,467.263,3.94,4,0.44,0.6,1.0,0.6619491467342883,0.755131587965184,0.782520046604071,0.8406123637858954,0.7600532862723597
EOS-3-41498,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(OC)c(-c5nncc(C)n5)c4)n23)cc1,MTXDVXHYDZXOQO-UHFFFAOYSA-N,3,1,0.511,89,398,483.492,2.294,5,0.366,0.7,1.0,0.36450551709958195,0.0641919676512919,0.11820642862038243,0.034618943184154614,0.14538071413885273
EOS-3-41499,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccc5C)c4)n23)cc1F,UTOUFWPHJJLIBM-UHFFFAOYSA-N,3,1,0.523,1,230,425.467,5.188,5,0.388,0.78,1.0,0.9085566445068878,0.7932886710986224,0.897873689260503,0.8565040093208142,0.8640557535467068
EOS-3-41500,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cc(Cl)ncn5)nc4)n23)ccc1Cl,RQOVPFGTLKJUCO-UHFFFAOYSA-N,3,1,0.506,24,633,475.299,4.401,5,0.344,0.74,1.0,0.9304622712631074,0.9334435610993078,0.8590997875402645,0.8697741758618326,0.8981949489411282
EOS-3-41502,CCn1c(-c2cccnc2OC)nnc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,CTKOBYUSJPMCHO-UHFFFAOYSA-N,3,1,0.321,8,42,466.465,3.19,6,0.36,0.64,1.0,0.17321465286820642,0.10776334726886437,0.032048865739154275,0.029495922143787268,0.08563069700500309
EOS-3-41503,Fc1cc(-c2nnc3cncc(COc4ccc(-c5cccnn5)cn4)n23)ccc1-c1ccno1,ZLLSEWCEWXLFFD-UHFFFAOYSA-N,3,1,0.379,41,25,466.436,4.016,6,0.359,0.64,1.0,0.514469536015352,0.5181790144609691,0.617469673086149,0.5579295456103077,0.5520119422931944
EOS-3-41504,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)c(F)c5)n34)cn2)cn1,WLZIIBHISIUKHG-UHFFFAOYSA-N,3,1,0.456,27,374,449.396,4.821,5,0.38,0.66,1.0,0.8555359468165308,0.870228222877116,0.9095247070111713,0.8498132410389967,0.8712755294359538
EOS-3-41505,Cc1cnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)n(C)n2)nn1,BHGDQTFHLZIVDU-UHFFFAOYSA-N,3,1,0.34,99,502,466.469,2.273,6,0.372,0.59,0.996,0.2639126859022685,0.18106195600027414,0.02638612843533685,0.013629977383318484,0.1212476869302995
EOS-3-41506,Clc1ccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5nccs5)c4)n23)nn1,RSXWQEGGSXJMMW-UHFFFAOYSA-N,3,1,0.5,24,486,457.306,3.986,5,0.365,0.64,0.991,0.4391319991775752,0.5843927763689946,0.3033119731341238,0.40732300733328763,0.4335399390034953
EOS-3-41507,Cn1nc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1cncnc1F,WTLZMXBPVKEQCZ-UHFFFAOYSA-N,3,1,0.374,31,569,418.396,1.532,5,0.378,0.66,0.944,0.360144952367898,0.23819477760263175,0.05911178123500788,0.059017545062024536,0.17911726406689055
EOS-3-41508,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)s1,DBVZFBIEQHUKLO-UHFFFAOYSA-N,3,1,0.516,87,419,449.927,4.288,5,0.357,0.67,1.0,0.6093996299088479,0.6704218353779727,0.43596223699540815,0.42333458981563976,0.5347795730244671
EOS-3-41509,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5C(F)F)c4)n23)nc1,UGQIBJFDBHQDES-UHFFFAOYSA-N,3,1,0.281,52,523,484.47,4.14,6,0.386,0.8,0.81,0.16523027893907202,0.17244362963470633,0.4505774107326434,0.47364813926392985,0.3154748646425879
EOS-3-41510,COc1nc(F)ccc1-c1nncnc1-c1cncc2nnc(-c3ccc(F)cn3)n12,OHEIFZFKVOSBCU-UHFFFAOYSA-N,3,1,0.272,50,844,419.355,2.387,5,0.405,0.59,1.0,0.5070248783496676,0.5002655746693166,0.2627732849016517,0.2964584332807895,0.3916305428003564
EOS-3-41511,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ncns1,HPNBDAATTQYDDN-UHFFFAOYSA-N,3,1,0.441,46,690,450.915,3.895,5,0.383,0.65,0.653,0.39205674730998563,0.4862072510451648,0.12937769858131726,0.17161263792748954,0.2948135837159893
EOS-3-41512,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)c(Cl)c2)cn1,RVFROUZEIJEMKL-UHFFFAOYSA-N,3,1,0.488,16,969,435.9,4.246,5,0.407,0.62,1.0,0.6151566033856487,0.7419727914467823,0.4890172023850319,0.4916643821533822,0.5844527448427113
EOS-3-41513,CCn1cncc1-c1cc(F)nc(-c2nnc3cncc(OCCc4cncc(OC)c4)n23)c1,MEJSQZJKYFTJGT-UHFFFAOYSA-N,3,1,0.375,31,211,460.473,3.234,5,0.325,0.64,0.981,0.38771331642793505,0.23820334452744843,0.3661675005140155,0.24307792474813242,0.30879052155438286
EOS-3-41514,Clc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(-c2cnsc2)n1,FNXVHMMCWYPRAP-UHFFFAOYSA-N,3,1,0.597,35,393,435.9,3.98,5,0.372,0.61,1.0,0.5866373106709616,0.69994345829621,0.47836851483791376,0.5047803440477007,0.5674324069631965
EOS-3-41515,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)c1,VJVCTODDKSRGNS-UHFFFAOYSA-N,3,1,0.505,88,137,464.863,4.801,5,0.359,0.71,1.0,0.8466349119320129,0.9010777191419368,0.8988931533136865,0.9204047015283394,0.8917526214789939
EOS-3-41516,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)nc2)cc1Cl,IUIVOKMVKMMIEM-UHFFFAOYSA-N,3,1,0.284,30,298,468.883,4.894,6,0.366,0.74,0.979,0.02213693372626962,0.18524261531080805,0.7591066410801178,0.8442704406826126,0.452689157699952
EOS-3-41517,COCc1nccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)n1,JPZWOCUUXSWGNX-UHFFFAOYSA-N,3,1,0.484,24,28,460.885,3.417,5,0.337,0.65,1.0,0.4746676033171133,0.5410869714207388,0.21308512096497842,0.21100335823452812,0.35996076348433964
EOS-3-41518,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)nc(C)n2)nn1,YIEGSCRLXPOXBH-UHFFFAOYSA-N,3,1,0.396,44,483,464.411,3.651,5,0.363,0.61,0.98,0.6712271263107394,0.5984853676924131,0.6586851483791378,0.6107703378795147,0.6347919950654513
EOS-3-41519,Cn1ccnc1-c1cc(F)c(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cc1F,QMZBEMGWHKMBQS-UHFFFAOYSA-N,3,1,0.333,85,476,472.381,3.87,5,0.369,0.66,0.999,0.3170961551641423,0.45544342402851073,0.934420190528408,0.8811767527928175,0.6470341306284696
EOS-3-41520,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)nc4)n23)cc1,BNWRLJYOODAKJS-UHFFFAOYSA-N,3,1,0.573,97,230,412.428,4.275,5,0.401,0.82,1.0,0.9464395860461928,0.7721369337262696,0.7950191899115894,0.7274518538825303,0.8102618908916456
EOS-3-41521,Cn1c(-c2ccc(F)s2)nnc1-c1cncc2nnc(-c3nncnc3-c3cccc(F)c3)n12,JXNXERBLLDBNNF-UHFFFAOYSA-N,3,1,0.322,8,356,474.46,3.446,6,0.382,0.61,0.47,0.11594476046878213,0.24857789048043313,0.10961380302926461,0.2669196765129189,0.18526403262284968
EOS-3-41522,COc1ccccc1CCOc1cncc2nnc(-c3cnnc(-c4cccc(C#N)c4)c3)n12,QNIARMRAWXEAPH-UHFFFAOYSA-N,3,1,0.52,19,309,449.474,3.75,5,0.369,0.61,1.0,0.6586508806798711,0.5318432595435543,0.6692567336029059,0.580434857103694,0.6100464327325064
EOS-3-41523,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc(C)n(C)n5)nc4)n23)nc(Cl)n1,ZLTVUKGMXLZKTD-UHFFFAOYSA-N,3,1,0.468,31,986,462.905,2.664,5,0.35,0.66,0.999,0.47731478308546366,0.527439860187787,0.025358097457336713,0.019960934822835993,0.2625184188883558
EOS-3-41524,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)s6)cn5)n34)cn2)n(C)n1,PTXZOLWAQDGTRS-UHFFFAOYSA-N,3,1,0.312,70,14,466.534,3.784,6,0.386,0.59,1.0,0.060062709889658006,0.07511479679254335,0.08001507778767733,0.06351518059077514,0.06967694126516345
EOS-3-41526,Cc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5cncn5C)c4)n23)n1,MCTLCPQZCNAOOB-UHFFFAOYSA-N,3,1,0.46,75,359,413.445,2.307,5,0.417,0.72,1.0,0.36934582962099927,0.14874751559180316,0.07570591460489343,0.04943115619217326,0.1608076040024673
EOS-3-41527,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)nc1Cl,FXVFCCOFKSHRQZ-UHFFFAOYSA-N,3,1,0.413,2,422,440.851,3.471,5,0.382,0.66,1.0,0.6094081968336645,0.6177095469810157,0.31039681995750806,0.36639024055924885,0.4759762010828593
EOS-3-41528,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(Cl)c5)n4)n23)cn1,ITXHVALDJVIHHG-UHFFFAOYSA-N,3,1,0.489,27,69,466.839,4.208,5,0.343,0.7,0.999,0.7074566513604277,0.835617846617778,0.7502570077445,0.7004489068603934,0.7484451031457748
EOS-3-41529,CCCn1nc(C)nc1-c1cc(-c2cncc3nnc(-c4ccc(Cl)nc4)n23)n(CC)n1,MCPNMENQKJAJRZ-UHFFFAOYSA-N,3,1,0.308,50,974,448.922,3.7,5,0.364,0.63,0.304,0.07325577410732644,0.17245219655952299,0.006639366732917552,0.013638544308135152,0.06649647042697553
EOS-3-41530,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,OPTYLRATPGWWFR-UHFFFAOYSA-N,3,1,0.494,97,666,438.875,4.681,5,0.371,0.74,1.0,0.8466434788568296,0.8585429374271811,0.7847731478308546,0.7971352203413062,0.8217736961140429
EOS-3-41531,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCc5ccncc5)cc4)n23)cn1,DVLKSMZDFYIRDO-UHFFFAOYSA-N,3,1,0.336,42,522,488.515,2.974,6,0.379,0.84,1.0,0.1732232197930231,0.06420053457610855,0.23439106298403126,0.15292817490233707,0.15618574806387497
EOS-3-41532,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)ncc1-c1nccs1,GDYNUZNZATUOCY-UHFFFAOYSA-N,3,1,0.412,46,128,452.887,3.341,5,0.358,0.66,0.998,0.46487560825166196,0.4862158179699815,0.2270834761154136,0.19363820163114248,0.3429532759920499
EOS-3-41533,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)ncc5F)ccn4)n23)cn1,ICWJAKWPKOUUAC-UHFFFAOYSA-N,3,1,0.511,4,744,447.861,4.323,5,0.37,0.66,1.0,0.6833407580015077,0.8171732574874923,0.7868206428620382,0.7537865807689672,0.7602803097800013
EOS-3-41534,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5nc(C)n[nH]5)c4)n23)cc1,XGMYJUDOHAWOGS-UHFFFAOYSA-N,3,1,0.474,89,398,475.9,2.872,5,0.358,0.68,1.0,0.6235007881570831,0.4957508052909328,0.24492838050853266,0.16620690836817217,0.38259672058118016
EOS-3-41535,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)n1,UOMIPWFVOBBNAO-UHFFFAOYSA-N,3,1,0.598,1,92,412.428,4.275,5,0.429,0.83,1.0,0.7817404564457542,0.7186621890206292,0.6913079980810088,0.6372164347885683,0.70723176958399
EOS-3-41536,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5F)n34)cn2)o1,FQFWYTKGHSLUGT-UHFFFAOYSA-N,3,1,0.522,87,981,418.392,2.7,5,0.41,0.62,1.0,0.7676050304982523,0.6948547049551093,0.2415101775066822,0.1960883421287095,0.4750145637721883
EOS-3-41537,CC#Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncco5)n34)nn2C)cn1,OOUYAAXEZPWVOD-UHFFFAOYSA-N,3,1,0.495,31,569,427.428,1.963,5,0.374,0.62,0.96,0.2372267150983483,0.07512336371736002,0.05153861969707354,0.02865636351175382,0.09813626550613391
EOS-3-41538,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(F)cc5F)n34)c(Cl)c2)n1,SAJOVKGKFCSNCX-UHFFFAOYSA-N,3,1,0.482,13,145,452.852,5.224,5,0.373,0.77,1.0,0.6803337673908574,0.8171818244123089,0.887122198615585,0.8894609690905353,0.8185246898773217
EOS-3-41539,CCc1cnc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)cn1,CFAJHSKQVABAKT-UHFFFAOYSA-N,3,1,0.404,7,535,414.433,1.913,5,0.41,0.67,1.0,0.2585155232677678,0.18107052292509082,0.03080666164073744,0.016328558700568842,0.1216803166335412
EOS-3-41540,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1F,IZKOEOSUFQSGOU-UHFFFAOYSA-N,3,1,0.553,37,265,467.867,4.14,5,0.373,0.63,1.0,0.9337262696182578,0.8988845863888698,0.8098485367692413,0.8167277773970255,0.8647967925433486
EOS-3-41541,CCc1nc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1-c1cnn(C)c1,STTMIAHVLDEMTL-UHFFFAOYSA-N,3,1,0.39,31,690,461.917,3.214,5,0.363,0.59,0.753,0.3920653142348023,0.42440545541772323,0.1322133506956343,0.1253426769926667,0.26850669933520666
EOS-3-41542,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)nc5)n34)nc2)ccn1,MYMIEJFXIXNSFJ-UHFFFAOYSA-N,3,1,0.438,46,959,478.285,4.124,5,0.351,0.73,1.0,0.7469673086148996,0.6559522993626208,0.7328233157425811,0.7004574737852101,0.7090500993763278
EOS-3-41543,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nc(C)c(C)nc5C)nc4)n23)sn1,IDRAYYYAPGNABQ-UHFFFAOYSA-N,3,1,0.542,7,567,444.524,3.912,5,0.402,0.62,1.0,0.3645140840243986,0.25340963607703376,0.03726612295250497,0.018084778287985746,0.16831865533548077
EOS-3-41544,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ncc(F)cn5)nc4)n23)cc1,BQXSQGSNWVDIOX-UHFFFAOYSA-N,3,1,0.405,14,580,411.444,3.876,5,0.437,0.76,1.0,0.4721660612706463,0.48162394626824756,0.4176118840381057,0.4265557535467069,0.44948941128092657
EOS-3-41545,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(O)c4)n23)c1,PYHMALBDLSSJOF-UHFFFAOYSA-N,3,1,0.529,43,521,416.416,3.616,5,0.471,0.66,1.0,0.7258070043177302,0.55064765951614,0.809857103694058,0.7330631896374478,0.704843739291344
EOS-3-41546,CCn1nc(-c2cc(Cl)ccc2F)nc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,LMGMVILGHADEMU-UHFFFAOYSA-N,3,1,0.411,45,316,454.296,5.183,5,0.374,0.76,1.0,0.3145175107943253,0.5737355218970598,0.5505791241176068,0.7949420875882394,0.5584435610993078
EOS-3-41547,Cn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccccc3)n12,CGWNJFHBPQPVQS-UHFFFAOYSA-N,3,1,0.309,39,854,466.896,3.759,6,0.361,0.64,0.815,0.14883318483996985,0.15266260023302036,0.10446508121444727,0.23416832293879788,0.16003229730655885
EOS-3-41548,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)c[nH]2)n1,GPOBUQOXLYKGEQ-UHFFFAOYSA-N,3,1,0.511,37,779,439.842,2.724,5,0.405,0.56,0.951,0.4182972380234391,0.4013689945857035,0.3815022959358509,0.3889126859022685,0.3975203036118155
EOS-3-41549,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cccc(-c4c[nH]cn4)c3)n12,LDNKEMPTGROYOS-UHFFFAOYSA-N,3,1,0.586,91,742,434.862,4.595,5,0.422,0.62,1.0,0.9369988348982249,0.8493848947981633,0.8747515591803167,0.8839610033582346,0.8862740730587348
EOS-3-41550,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)nc2)n[nH]1,HMUOTIAWJDBHEQ-UHFFFAOYSA-N,3,1,0.258,42,174,423.465,3.762,6,0.459,0.59,1.0,0.08357035158659448,0.14495236789801932,0.3180727845932424,0.34692618737577957,0.22338042286340892
EOS-3-41551,Cn1nc(Cl)c(Cl)c1-c1ccnc(COc2cncc3nnc(-c4ccc(F)cn4)n23)c1,DUUNWUZCAHEQCV-UHFFFAOYSA-N,3,1,0.467,46,128,471.283,4.007,5,0.382,0.65,1.0,0.39857617709546983,0.5229336577342197,0.5739496950174765,0.6600815571242546,0.5388852717428552
EOS-3-41552,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccc2F)cn1,JGOGCCZTNRHVPI-UHFFFAOYSA-N,3,1,0.506,16,89,465.851,4.462,5,0.354,0.68,1.0,0.9186913165650058,0.8811167843191008,0.869251593448016,0.853231444040847,0.8805727845932423
EOS-3-41553,COc1cc(-c2nnc3cncc(OCc4ccc(CCO)nn4)n23)ccc1-c1nncs1,BWXMFOKFWJOUHW-UHFFFAOYSA-N,3,1,0.458,72,224,462.495,2.222,5,0.366,0.64,1.0,0.33915598656706186,0.2534182030018505,0.1122524158727983,0.06686484819409225,0.1929228634089507
EOS-3-41554,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)c2)s1,JFGHLRUPHFPBTA-UHFFFAOYSA-N,3,1,0.5,15,628,450.915,3.683,5,0.361,0.62,1.0,0.680342334315674,0.7551401548900006,0.12637070797066685,0.14552635186073606,0.4268448872592694
EOS-3-41555,COc1ncc(-c2nc(C)nn2C)cc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,RNQZFQBWYHLCKZ-UHFFFAOYSA-N,3,1,0.301,42,899,476.504,3.423,6,0.368,0.68,1.0,0.15960180933452128,0.07513193064217669,0.1263792748954835,0.08858200260434515,0.11242375436913166
EOS-3-41557,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)ncn2)n1,GWGDVCKCHLTKPY-UHFFFAOYSA-N,3,1,0.4,31,842,463.864,3.156,5,0.374,0.55,0.996,0.6981872387087931,0.5844013432938112,0.2850815571242547,0.312255842642725,0.469981495442396
EOS-3-41558,CCn1nc(C)cc1-c1cc(COc2cncc3nnc(-c4ccc(C)nc4)n23)no1,VZLJTHUOCGFGQS-UHFFFAOYSA-N,3,1,0.461,92,205,416.445,3.254,5,0.415,0.71,1.0,0.2691642108148859,0.18107908984990748,0.07135391679802618,0.039039476389555204,0.14015917346309367
EOS-3-41559,Fc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)nn2)cnc1Cl,NSHJFJHGXTUGPU-UHFFFAOYSA-N,3,1,0.281,10,301,469.871,4.289,6,0.355,0.67,0.999,0.019147076965252554,0.1602357617709547,0.614454115550682,0.7222174628195462,0.3790136042766089
EOS-3-41560,Clc1cncc(COc2cncc3nnc(-c4cnc(-c5ccns5)cn4)n23)c1,KPFPEGWQUMFCBC-UHFFFAOYSA-N,3,1,0.447,55,62,422.861,3.332,5,0.424,0.57,1.0,0.52509252278802,0.5458073469947228,0.28509012404907136,0.3564440408470975,0.4281085086697279
EOS-3-41561,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cnn2)c(F)c1,QRYXCIWMASZPKC-UHFFFAOYSA-N,3,1,0.505,34,141,465.851,4.196,5,0.371,0.63,1.0,0.8792920293331505,0.9162154752929889,0.8054879720375574,0.8532400109656638,0.8635588719073402
EOS-3-41562,Fc1cnccc1-c1cncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,JPKDESNOLMYORZ-UHFFFAOYSA-N,3,1,0.478,87,173,447.861,4.057,5,0.362,0.63,1.0,0.8197262010828593,0.809343088205058,0.7017939140566103,0.7409276266191488,0.7679477074909191
EOS-3-41563,Cc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4F)n23)ccc1-c1cscn1,WIXROSBXZPRWID-UHFFFAOYSA-N,3,1,0.441,49,501,451.462,3.913,5,0.362,0.61,0.997,0.722740045233363,0.694863271879926,0.4576451237063944,0.42025906380645606,0.5738768761565349
EOS-3-41564,Cn1nc(Cc2ccccc2)nc1-c1cncc2nnc(-c3ccc(-c4cn(C)c(=O)n4C)cc3)n12,NDVSXJCBYXDUAG-UHFFFAOYSA-N,3,1,0.333,67,124,477.532,2.882,6,0.379,0.69,0.994,0.1488417517647865,0.13047426495785072,0.06715612363785896,0.0885905695291618,0.1087656774724145
EOS-3-41565,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1,PNAOKCCJCZDAEV-UHFFFAOYSA-N,3,1,0.541,37,187,448.437,3.364,5,0.377,0.55,1.0,0.8093944897539579,0.5601569460626413,0.4855218970598314,0.4675142210951957,0.5806468884929066
EOS-3-41566,O=C(c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccnc(F)c5)n4)n23)cc1)N1CCCC1,FVOIXMNGPPMTGK-UHFFFAOYSA-N,3,1,0.398,52,376,483.482,4.43,6,0.352,0.86,1.0,0.13775615105201836,0.16024432869577138,0.080023644712494,0.2724710437941197,0.16262379206360086
EOS-3-41567,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)s4)n23)cn1,MEGITBYKDSGXJZ-UHFFFAOYSA-N,3,1,0.451,80,34,468.506,3.079,6,0.363,0.65,1.0,0.4436639024055925,0.32923548762936056,0.04985093550818998,0.03771160304297169,0.21511548214652867
EOS-3-41568,Cc1nc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4cnnn4C)cn3)n12,CECGMSSTPPUCOF-UHFFFAOYSA-N,3,1,0.287,50,974,412.417,1.451,5,0.467,0.66,1.0,0.039536358028921935,0.02905044205332054,0.0387739017202385,0.022342539921869645,0.03242581043108765
EOS-3-41570,COc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccc(OC(F)F)nc5)c4)n23)c1,UXFVAPQHNVBYRI-UHFFFAOYSA-N,3,1,0.563,1,183,476.443,4.437,5,0.324,0.78,1.0,0.8298608731409773,0.8645055170995819,0.8918340072647523,0.7738845863888698,0.8400212459735453
EOS-3-41571,Cc1ccc(-c2cc(-c3nnc4cncc(Cc5cnc(Cl)c(F)c5)n34)nn2C)nc1,SRXZNCRDHDYUIA-UHFFFAOYSA-N,3,1,0.297,85,60,434.866,3.674,5,0.401,0.58,0.354,0.12667055033925023,0.17246076348433967,0.46113186210677815,0.49787540264546637,0.31453464464395864
EOS-3-41572,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nc1Cl,JCXKXBUFEUWMHR-UHFFFAOYSA-N,3,1,0.473,11,769,464.316,4.572,5,0.34,0.72,0.958,0.781749023370571,0.7971523541909397,0.5799893770132273,0.6600901240490713,0.7047452196559523
EOS-3-41573,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nc2C)s1,FVTNBWIDMCASKV-UHFFFAOYSA-N,3,1,0.451,31,578,448.487,3.477,5,0.364,0.61,1.0,0.5430059625796724,0.5365379343430882,0.1263878418203002,0.11846343636488246,0.3310987937769858
EOS-3-41574,CCOc1cccc(CCOc2cncc3nnc(-c4cccc(-c5cncc(F)c5)c4)n23)c1,DVHPZRRKMFMPTA-UHFFFAOYSA-N,3,1,0.598,91,660,455.493,5.013,5,0.327,0.79,1.0,0.8713676238777328,0.832293879788911,0.8246521828524432,0.7589524364334178,0.8218165307381262
EOS-3-41575,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)ccn2)[nH]c1F,NPOLRDMFNVWHPL-UHFFFAOYSA-N,3,1,0.473,7,239,437.826,3.046,5,0.416,0.57,1.0,0.5377887053663217,0.6080803234870811,0.35872284284833117,0.3564526077719142,0.465261119868412
EOS-3-41576,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nncc(-c5ccsc5)n4)n23)c(F)c1,GSSHFVNBTCBEBV-UHFFFAOYSA-N,3,1,0.3,39,972,471.456,4.107,6,0.378,0.61,0.808,0.23723528202316496,0.2739274210129532,0.3851946405318347,0.5246470426975532,0.35525109656637655
EOS-3-41577,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)c(F)c5)n4)n23)cc1,MPJWSYPZCHKELQ-UHFFFAOYSA-N,3,1,0.358,61,331,482.401,3.312,5,0.373,0.7,1.0,0.20421835377972722,0.35344561716126377,0.7928431910081557,0.7537951476937839,0.5260755774107326
EOS-3-41578,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c1F,MVNQTKWTHUEZMB-UHFFFAOYSA-N,3,1,0.418,46,529,413.416,3.67,5,0.434,0.73,1.0,0.7227486121581796,0.6129292029333151,0.6233808512096498,0.5579381125351244,0.6292491947090673
EOS-3-41579,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)ccc4F)n23)cn1,LHROWQFYHIVJJK-UHFFFAOYSA-N,3,1,0.523,24,786,413.416,3.67,5,0.434,0.73,1.0,0.7010914262216434,0.7325748749228976,0.47164347885682956,0.4202676307312727,0.5813943526831609
EOS-3-41580,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccncn5)cn4)n23)cc1,CGTITOAOUGNVSS-UHFFFAOYSA-N,3,1,0.452,40,355,462.477,3.018,6,0.367,0.55,1.0,0.46224556233294495,0.1894575423206086,0.2888595709684052,0.21682886710986224,0.2893478856829552
EOS-3-41581,CCc1nc(-c2nnc3cncc(OCc4sncc4C)n23)ccc1-c1cnc(C)nc1,BUCNORDXIJYIIB-UHFFFAOYSA-N,3,1,0.418,7,690,444.524,3.858,5,0.389,0.62,0.992,0.28805428003563843,0.17684702899047358,0.06940065793982592,0.0402388458638887,0.14363520320745665
EOS-3-41582,Cc1cncc(CCOc2cncc3nnc(-c4cc(Cl)cc(-c5coc(C)n5)c4)n23)n1,ABBLPOKJOHRXPG-UHFFFAOYSA-N,3,1,0.494,20,684,447.886,4.128,5,0.382,0.61,1.0,0.5724076485504763,0.5644318415461586,0.3289099444863272,0.31226440956754165,0.44450346103762595
EOS-3-41583,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccnn5)ccc4F)n23)cc1,HBFOHEWBYGNYLA-UHFFFAOYSA-N,3,1,0.447,81,609,480.467,3.157,6,0.354,0.68,0.999,0.5096035227194846,0.47750325543143035,0.28886813789322185,0.2669282434377356,0.38572578987046807
EOS-3-41584,Cc1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)cnn1,LNYBRIOPEYXUAY-UHFFFAOYSA-N,3,1,0.333,50,974,410.401,1.508,5,0.465,0.67,0.975,0.06930642176684257,0.026523199232403535,0.09427044068261257,0.06864676855595915,0.06468670755945445
EOS-3-41585,c1cnnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ncco6)nc5)n34)cs2)c1,GOEXEXRJWBXGST-UHFFFAOYSA-N,3,1,0.472,6,297,455.463,3.334,6,0.368,0.63,1.0,0.32442087588239327,0.382376122267151,0.08732266465629497,0.07631416626687684,0.21760845726817904
EOS-3-41586,N#Cc1nc(COc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)n5)c4)n23)ccc1F,YLNUKCIMHFUEDK-UHFFFAOYSA-N,3,1,0.442,4,702,460.379,3.511,5,0.366,0.64,1.0,0.7844476046878213,0.8171903913371257,0.8546364197107806,0.8206000274141594,0.8192186107874717
EOS-3-41587,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cncc(F)c4)n23)c1,ZYGVZBDGISFCTH-UHFFFAOYSA-N,3,1,0.388,46,211,416.42,3.183,5,0.419,0.63,1.0,0.46225412925776166,0.2689243369200192,0.439860187786992,0.3759851963539168,0.3867559625796724
EOS-3-41588,CCn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4nnnn4C)cc3)n12,BRSXGOTVFZBQHA-UHFFFAOYSA-N,3,1,0.321,8,866,484.915,2.976,6,0.339,0.81,1.0,0.15704886573915428,0.22315982454937974,0.02041498183811939,0.057535467068741006,0.1145397847988486
EOS-3-41589,O=C(c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccnc(F)c4)n23)cn1)N1CCOCC1,ZAOQHKWTUPXIPS-UHFFFAOYSA-N,3,1,0.375,82,229,483.467,2.317,6,0.354,0.72,0.955,0.042414844767322324,0.03191179494208759,0.010271742855184703,0.04024741278870537,0.031211448838324996
EOS-3-41590,CCc1ccc(-c2nnc3cncc(OCc4ccc(-c5c(C)noc5C)cn4)n23)cc1,BTSPYSDGHPNALV-UHFFFAOYSA-N,3,1,0.575,89,744,426.48,4.6,5,0.392,0.71,1.0,0.4071688026865876,0.3292440545541772,0.4071431019121376,0.2548403125214173,0.34959906791858
EOS-3-41591,Fc1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)c(F)n1,QTSQIKCWXAREPS-UHFFFAOYSA-N,3,1,0.448,13,995,454.799,5.111,5,0.351,0.77,1.0,0.7899647042697553,0.9035621273387705,0.9670087725310123,0.9709581248714961,0.9078734322527586
EOS-3-41592,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)nc(C)n2)cn1,FIBMGUILZALNFW-UHFFFAOYSA-N,3,1,0.404,46,330,464.411,3.651,5,0.363,0.6,1.0,0.7227571790829964,0.6364368446302515,0.6775923514495237,0.6138972654375985,0.6626709101500925
EOS-3-41593,COc1ncc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1-c1ccccn1,PDKNVNUXWILRPP-UHFFFAOYSA-N,3,1,0.417,51,379,464.848,3.418,5,0.349,0.67,1.0,0.7104722088958947,0.6459889658008361,0.3587314097731478,0.3276934411623604,0.5107215064080597
EOS-3-41594,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cnn1,FZZMOBGOLVQAAM-UHFFFAOYSA-N,3,1,0.429,36,728,421.812,1.399,5,0.383,0.6,1.0,0.48455383455554796,0.5984939346172298,0.04793194434925639,0.08679151531766158,0.3044428072099239
EOS-3-41595,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(C)n1,FEQPJUFYLBQKRS-UHFFFAOYSA-N,3,1,0.412,36,602,462.905,2.838,5,0.359,0.58,1.0,0.40717736961140427,0.40596086628743744,0.029778630662737303,0.04155815228565554,0.22111875471180864
EOS-3-41596,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cnn2)nc1,YKHMOTHTGBIALQ-UHFFFAOYSA-N,3,1,0.451,55,565,451.277,3.924,5,0.371,0.58,1.0,0.6678688917826057,0.6999520252210266,0.6381330957439517,0.7168717017339455,0.6807064286203823
EOS-3-41597,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccnc5Cl)nc4)n23)s1,JKAOZSHMSFFKDX-UHFFFAOYSA-N,3,1,0.314,86,968,472.925,3.821,6,0.38,0.63,0.924,0.11325474607634843,0.2177198272907957,0.12639640874511684,0.18812110204920843,0.16137302104036735
EOS-3-41598,Fc1ccccc1-c1cc(Cl)cc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,DJNLPMGRVNWBBI-UHFFFAOYSA-N,3,1,0.65,57,222,445.885,5.267,5,0.356,0.77,1.0,0.8734322527585497,0.9350712768144747,0.9170893016242889,0.9333064903022411,0.9147248303748886
EOS-3-41599,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)[nH]c1F,DNYOXQCOHMQDDQ-UHFFFAOYSA-N,3,1,0.456,2,390,441.879,4.318,5,0.436,0.64,1.0,0.6094167637584813,0.685037009115208,0.5540401617435405,0.5642605030498252,0.6031886094167638
EOS-3-41600,CCc1nc(-c2nnc3cncc(-c4ccnc(Cl)c4)n23)ccc1-c1nnc(C)o1,NRCITUUYSGYCRQ-UHFFFAOYSA-N,3,1,0.269,50,523,418.848,3.823,5,0.405,0.66,0.71,0.16786889178260572,0.28437050236447126,0.12371496127749983,0.17420841614693988,0.18754069289287917
EOS-3-41601,Clc1ccnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)c1,XDVHRTANBXLLOR-UHFFFAOYSA-N,3,1,0.356,32,191,462.904,5.026,6,0.362,0.71,1.0,0.24253820848468233,0.3440734014118292,0.6260365979028168,0.6891148653279419,0.4754407682818176
EOS-3-41602,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2F)nn1,HKOPJMAKKOFIRT-UHFFFAOYSA-N,3,1,0.563,72,669,461.888,4.366,5,0.347,0.66,1.0,0.945608594338976,0.9435353985333425,0.7092557055719279,0.7088701939551778,0.826817473099856
EOS-3-41603,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nn2C)cn1,QLBOBQAAJWUONY-UHFFFAOYSA-N,3,1,0.43,31,569,431.435,2.446,5,0.377,0.6,1.0,0.404787197587554,0.27393598793776985,0.16935096977588926,0.13829586731546845,0.2465925056541704
EOS-3-41604,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCOc5ccc(Cl)cc5)n34)c2)nc1,DZCWHZZYIGRCIQ-UHFFFAOYSA-N,3,1,0.456,54,65,464.848,3.289,5,0.335,0.62,1.0,0.7984288259886231,0.7373295181961483,0.46456719895826193,0.5181618806113357,0.6296218559385922
EOS-3-41605,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc(C)n2)cn1,LYZONXNUSOZOSX-UHFFFAOYSA-N,3,1,0.4,31,330,459.901,3.325,5,0.352,0.62,0.999,0.5120536632170516,0.477511822356247,0.12117058460694949,0.12535124391748337,0.30902182852443283
EOS-3-41606,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccns6)s5)n34)cc2F)cn1,AKYXNRLPRYNTTF-UHFFFAOYSA-N,3,1,0.329,98,314,461.511,3.973,6,0.392,0.62,1.0,0.1187461448838325,0.25843842094441777,0.20964121718867795,0.2815348502501542,0.2170901583167706
EOS-3-41607,Cn1ccnc1-c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)ncn1,PRTOFMJSFBFCCU-UHFFFAOYSA-N,3,1,0.333,33,60,412.417,1.066,5,0.451,0.63,0.708,0.06183606332670825,0.015034953053252005,0.03341957370982112,0.017527928174902337,0.03195462956617093
EOS-3-41608,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccc(Cl)nc1,QFEMMLNOTLRBTF-UHFFFAOYSA-N,3,1,0.467,95,493,467.32,3.91,5,0.35,0.68,1.0,0.48702967582756496,0.4554519909533274,0.5062110204920841,0.5804434240285107,0.5072840278253719
EOS-3-41609,CCn1c(C)nc(-c2ccccn2)c1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,VEUYGBRYNQZTTO-UHFFFAOYSA-N,3,1,0.291,86,790,460.505,3.897,6,0.381,0.6,0.847,0.1030429716948804,0.09161469398944555,0.06716469056267563,0.07806181892947707,0.08497104379411966
EOS-3-41610,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1C,ZNVNEPFCVZENDB-UHFFFAOYSA-N,3,1,0.436,13,374,430.899,5.429,5,0.372,0.81,1.0,0.543014529504489,0.5893016242889453,0.7404221780549654,0.7196730861489959,0.6481028544993489
EOS-3-41611,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ncc(Cl)cc5F)o4)n23)cc1,WIXLYTGSILNGNB-UHFFFAOYSA-N,3,1,0.338,98,63,474.847,3.491,6,0.377,0.64,1.0,0.2909841683229388,0.42887739017202386,0.2233911315194298,0.33405866630114456,0.31932783907888423
EOS-3-41612,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)ccn1,XPLDDPUTGVFYLQ-UHFFFAOYSA-N,3,1,0.57,75,359,420.82,2.906,5,0.382,0.64,1.0,0.6773867452539236,0.5791241176067439,0.285098690973888,0.31539990405044205,0.46425236447124935
EOS-3-41613,Cc1nc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)n2)no1,HSQUPJYDVLWGTC-UHFFFAOYSA-N,3,1,0.37,80,34,467.453,2.314,6,0.355,0.62,1.0,0.3391645534918786,0.24361764101158248,0.02420156260708656,0.013107394969501748,0.15502278802001235
EOS-3-41614,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)nc5)n34)cn2)cn1,KWQCGVMMJHTRHI-UHFFFAOYSA-N,3,1,0.35,32,945,462.492,4.938,6,0.361,0.72,1.0,0.17323178671783976,0.2843790692892879,0.6290264546638339,0.6312966897402509,0.4294835001028031
EOS-3-41615,Cc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c(C#N)c2)n1,PNIFSBUNGFRAPI-UHFFFAOYSA-N,3,1,0.294,32,20,467.496,4.552,6,0.37,0.66,1.0,0.18465149749845797,0.18946610924542526,0.6113614556918648,0.5675587691042423,0.3882594578849976
EOS-3-41616,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)nc(F)c5)n34)nn2)cnn1,MJLDRSPDNLCOAV-UHFFFAOYSA-N,3,1,0.404,54,670,437.345,2.43,5,0.382,0.51,1.0,0.719724487697896,0.6314423274621342,0.5928140634637791,0.5864317044753615,0.6326031457747927
EOS-3-41617,Fc1ccc(CCOc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)cn1,BBFDEYYKZOLYPP-UHFFFAOYSA-N,3,1,0.483,58,981,414.404,2.799,5,0.391,0.72,1.0,0.7043125899527106,0.6607583441847714,0.32891851141114387,0.3309574395175108,0.5062367212665342
EOS-3-41618,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(F)c(-c4cncs4)n3)n12,NZRDMQQSAPBPDL-UHFFFAOYSA-N,3,1,0.429,46,128,457.853,4.215,5,0.39,0.65,0.985,0.592582756493729,0.680188129668974,0.6113700226166815,0.6891234322527585,0.6433160852580357
EOS-3-41619,Fc1ccc(-c2nnc3cncc(CCCc4ccc(-c5cnccn5)nc4)n23)cc1,MVHILKLICKVKIA-UHFFFAOYSA-N,3,1,0.523,14,580,411.444,3.958,5,0.421,0.79,1.0,0.4696302515249126,0.6801966965937907,0.4285175793297238,0.497883969570283,0.5190571242546775
EOS-3-41620,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnnc(F)c6)ncn5)n34)nc2)s1,ZHYDHWKRHOWDCA-UHFFFAOYSA-N,3,1,0.259,70,813,469.469,3.066,6,0.379,0.58,0.65,0.07512336371736002,0.17246933040915632,0.13222191762045096,0.14785655541086973,0.13191779178945925
EOS-3-41621,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cn(C)nc5C)n34)cn2)n1,NZAYQMYMNIIUBP-UHFFFAOYSA-N,3,1,0.433,92,986,414.433,1.968,5,0.425,0.69,1.0,0.20698547049551094,0.14134569255020218,0.04017031046535536,0.019969501747652663,0.10211774381468028
EOS-3-41622,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cc2)sc1F,OLNSWQRZANBLFH-UHFFFAOYSA-N,3,1,0.356,3,39,454.494,4.61,6,0.387,0.64,1.0,0.01560037009115208,0.13387533411006786,0.3474659036392297,0.37931773010760056,0.21906483448701253
EOS-3-41623,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cnn2)n1,OOOBSRACPLSBGG-UHFFFAOYSA-N,3,1,0.43,55,511,436.357,3.035,5,0.387,0.54,0.873,0.7319580563360976,0.6999605921458433,0.740430744979782,0.722226029744363,0.7236438558015215
EOS-3-41624,FCc1cc(-c2cnnc(-c3nnc4cncc(OCc5cc(F)nc(Cl)c5)n34)c2)ccn1,AKDDFJYQGXGLFB-UHFFFAOYSA-N,3,1,0.375,46,87,466.839,3.879,5,0.347,0.64,1.0,0.5377972722911384,0.5410955383455555,0.7144472620108286,0.7168802686587622,0.6275550853265712
EOS-3-41625,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)ccc1F,ZZXLJAHJLZVNBK-UHFFFAOYSA-N,3,1,0.506,4,390,418.457,4.336,5,0.423,0.74,1.0,0.6377561510520183,0.6802052635186073,0.5739582619422932,0.5149150161058187,0.6017086731546843
EOS-3-41626,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)cs2)n1,LKJKKBPYOQASPX-UHFFFAOYSA-N,3,1,0.43,65,359,450.915,3.683,5,0.361,0.64,1.0,0.5144781029401686,0.5365465012679048,0.09427900760742924,0.11847200328969913,0.3159439037763004
EOS-3-41627,Cn1nccc1-c1ccc(Cc2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cn4)n23)nc1,QJNDKMXLPJTHNB-UHFFFAOYSA-N,3,1,0.354,70,392,463.48,3.774,6,0.384,0.58,1.0,0.18466006442327462,0.2031389212528271,0.47837708176273047,0.4643101912137619,0.3326215646631485
EOS-3-41628,COc1nc(F)ccc1-c1nnc2cncc(OCc3ncc(-c4cc(C)nn4C)nn3)n12,JSEPVINTGDOALJ-UHFFFAOYSA-N,3,1,0.411,36,105,448.422,1.807,5,0.354,0.57,0.994,0.41158076896717155,0.36298917140703174,0.04312589952710575,0.02482694811870331,0.2106306970050031
EOS-3-41629,Fc1c(-c2ccncc2)cnc(Cc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1F,IBJIFJHAAGAQOV-UHFFFAOYSA-N,3,1,0.37,14,81,450.399,5.055,5,0.351,0.73,1.0,0.537805839215955,0.6704304023027894,0.9729970529778631,0.9695445822767459,0.7876944691933383
EOS-3-41630,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)nn6)n5)n34)cn2)cn1,YBFZQZDHDSATFG-UHFFFAOYSA-N,3,1,0.292,10,719,471.847,3.079,6,0.356,0.6,0.325,0.025323829758070043,0.20793639915016107,0.2815948187238709,0.3919539442121856,0.2267022479610719
EOS-3-41631,Cc1nnc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)s1,GZURJZIJXCNXTQ-UHFFFAOYSA-N,3,1,0.571,19,785,416.47,3.03,5,0.416,0.66,0.998,0.4555804948255774,0.21772839421561235,0.06317250359810843,0.07986087314097731,0.2040855664450689
EOS-3-41632,Cc1cnc(F)c(-c2ccc(-c3nnc4cncc(OCc5ccc(F)s5)n34)cn2)c1,LJZQSRLWAKTQNN-UHFFFAOYSA-N,3,1,0.451,55,390,436.447,4.475,5,0.378,0.68,1.0,0.7497772599547666,0.7634072373380851,0.730116167500514,0.6776351860736071,0.7302339627167432
EOS-3-41633,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)nc3)n12,RZTSGWIBLVRMLK-UHFFFAOYSA-N,3,1,0.523,1,676,466.398,4.985,5,0.34,0.79,1.0,0.9559574395175108,0.9393633061476252,0.9809300253580975,0.9507830169282434,0.9567584469878692
EOS-3-41634,Cn1nnc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2Cl)n1,VFVZGESKJBMYNR-UHFFFAOYSA-N,3,1,0.468,36,185,470.831,2.942,5,0.368,0.65,0.963,0.4368960318004249,0.6030943732437805,0.3142690699746419,0.3373912000548283,0.4229126687684189
EOS-3-41635,Fc1cccc(-c2ncccc2-c2cncc3nnc(-c4cnc(-c5ccccc5F)cn4)n23)c1,DDHBSHXCSOKSSS-UHFFFAOYSA-N,3,1,0.346,30,885,463.451,5.256,6,0.355,0.76,1.0,0.2612569392091015,0.3869508601192516,0.8119645671989583,0.8697827427866494,0.5824887773284901
EOS-3-41636,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)cc1,TVONMDFCROQDOM-UHFFFAOYSA-N,3,1,0.485,11,881,462.872,4.788,5,0.321,0.79,1.0,0.7583784524707011,0.912189020629155,0.7404393119045988,0.7487749297512165,0.7899454286889178
EOS-3-41637,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncn6C)nc5)n34)cc2)c1,JDOJZJMNWIVJEI-UHFFFAOYSA-N,3,1,0.281,98,642,446.478,3.414,6,0.405,0.53,1.0,0.08357891851141114,0.06420910150092522,0.24493694743334932,0.24308649167294907,0.1589528647796587
EOS-3-41638,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(F)ncc5F)cn4)n23)cn1,RYDWZTQCBOWJLN-UHFFFAOYSA-N,3,1,0.405,14,290,415.407,3.821,5,0.415,0.68,1.0,0.39436125008566925,0.45979542183537797,0.7639469536015352,0.7358046055787815,0.5884770577753409
EOS-3-41639,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5cccnc5F)c4)n23)nnc1Cl,QIWBKEXPCSWJNW-UHFFFAOYSA-N,3,1,0.484,72,132,465.851,4.196,5,0.347,0.66,1.0,0.8224419162497429,0.8837125625385511,0.7328318826673977,0.785612706462888,0.806149766979645
EOS-3-41640,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)ccn1,KCONBPJNLGSKHM-UHFFFAOYSA-N,3,1,0.43,18,840,465.851,4.196,5,0.347,0.66,1.0,0.7817575902953876,0.7325834418477143,0.8418545678843122,0.859965046946748,0.8040401617435405
EOS-3-41641,Cc1nc(-c2nnc3cncc(Oc4cccc(F)c4Cl)n23)ccc1-c1ccc(F)nn1,NFICKWMAELZSGV-UHFFFAOYSA-N,3,1,0.375,13,251,451.824,4.676,5,0.392,0.62,0.773,0.6740542115002399,0.7186707559454458,0.7887310670961551,0.812435748063875,0.748472945651429
EOS-3-41642,Cc1nc(C)c(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cn4)n23)nc1C,WEIXBBQFPPARPQ-UHFFFAOYSA-N,3,1,0.278,50,489,413.42,3.165,5,0.444,0.66,0.996,0.2909927352477555,0.28438763621410457,0.08003221163731067,0.09640360496196286,0.1879540470152834
EOS-3-41643,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccn1,LBRMWFMRLYGKES-UHFFFAOYSA-N,3,1,0.506,75,624,430.447,3.225,5,0.366,0.61,1.0,0.5640720307038586,0.4013775615105202,0.3888527174285518,0.3183383592625591,0.4181601672263724
EOS-3-41644,COc1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1ncccn1,CSKRNMHBUUKJJF-UHFFFAOYSA-N,3,1,0.427,18,896,444.43,2.808,5,0.374,0.55,0.998,0.82509766294291,0.5940391337125626,0.22339969844424645,0.17162120485230623,0.45353942498800637
EOS-3-41645,FC(F)(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnnc5)n34)cnn2)nn1,PLZYUVLZXNFZKS-UHFFFAOYSA-N,3,1,0.489,53,778,466.387,2.469,5,0.368,0.57,1.0,0.6803509012404907,0.7049294085395107,0.6615465012679048,0.5047889109725173,0.637903930505106
EOS-3-41646,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5-c5cnc(C)n5C)n34)nc2)o1,PVZHWZMHQACHND-UHFFFAOYSA-N,3,1,0.31,98,424,467.468,4.06,6,0.381,0.6,1.0,0.23724384894798164,0.3047340826536906,0.2995767939140566,0.27247961071893634,0.2785085840586663
EOS-3-41647,Cn1cnc(-c2cnc(-c3nnc4cncc(OCc5nc(Cl)ncc5F)n34)cc2F)c1,RRYDVSZZTQNGDG-UHFFFAOYSA-N,3,1,0.378,7,128,455.816,2.887,5,0.372,0.59,1.0,0.6151651703104654,0.6080888904118977,0.4611404290315948,0.4765094921526969,0.5402259954766637
EOS-3-41648,Cc1cnc(COc2cncc3nnc(-c4ccc(C#N)c(OC(F)F)c4)n23)cn1,ZFWOMILPYLKVBJ-UHFFFAOYSA-N,3,1,0.549,68,127,409.356,2.942,4,0.478,0.77,1.0,0.7817661572202043,0.7186793228702625,0.840184017545062,0.7222345966691797,0.7657160235761771
EOS-3-41649,CCc1cnc(-c2cncc(-c3nnc4cncc(OCc5cnc(C)s5)n34)c2)cn1,UJZQRJNIWOKSAK-UHFFFAOYSA-N,3,1,0.536,7,858,430.497,3.55,5,0.403,0.6,1.0,0.3093173874306079,0.23821191145226508,0.10962236995408128,0.07033445274484271,0.18187153039544923
EOS-3-41650,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccncc5F)c4)n23)ncc1Cl,FNMCWLLDTSPAJX-UHFFFAOYSA-N,3,1,0.536,73,469,451.824,4.154,5,0.396,0.57,1.0,0.7165204578164622,0.7764118292097869,0.8747601261051333,0.8811853197176341,0.8122194332122541
EOS-3-41651,CCn1c(O)cnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)nc1,DOXHJDDBQFZIHK-UHFFFAOYSA-N,3,1,0.327,74,333,440.467,2.802,5,0.431,0.71,1.0,0.30142724967445683,0.09162326091426222,0.1535278596395038,0.07807038585429374,0.15616218902062914
EOS-3-41652,COCc1cc(C)nc(-c2cncc3nnc(-c4ccc(-c5ccn(C)n5)cn4)n23)n1,MVDJEDFSFIFWGX-UHFFFAOYSA-N,3,1,0.252,50,974,413.445,2.499,5,0.432,0.69,0.987,0.06725892673565896,0.035030155575354674,0.08004077856212734,0.04943972311698992,0.05794239599753272
EOS-3-41653,Cc1ncc(CCOc2cncc3nnc(-c4cccc(-c5ccnn5C)c4)n23)cn1,JEIOKRUGZUCFTH-UHFFFAOYSA-N,3,1,0.57,15,438,412.457,2.912,5,0.423,0.71,1.0,0.4648841751764787,0.20794496607497773,0.24151874443149887,0.16621547529298883,0.27014084024398605
EOS-3-41654,CCn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ncc(F)cc5C)n4)n23)nc1,CDUPMMFJIFKDPR-UHFFFAOYSA-N,3,1,0.229,99,813,467.472,3.16,6,0.379,0.59,0.314,0.04242341169213899,0.10417380577068056,0.0757144815297101,0.084975327256528,0.07682175656226442
EOS-3-41655,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2Cl)cc1=O,WKSDDGMYLJPTFF-UHFFFAOYSA-N,3,1,0.455,51,196,481.303,3.228,5,0.376,0.68,1.0,0.6740627784250566,0.5318518264683709,0.43986875471180864,0.5079501062298677,0.5384333664587759
EOS-3-41656,OCc1ncc(-c2cnnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)cc1F,RLVPPAYISPATGJ-UHFFFAOYSA-N,3,1,0.462,46,207,464.848,2.902,5,0.403,0.58,1.0,0.4894883832499486,0.5048660132958673,0.5832876430676445,0.6139058323624151,0.5478869679939689
EOS-3-41657,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)s1,OYPWBDUQWFWWAB-UHFFFAOYSA-N,3,1,0.306,76,356,456.47,3.306,6,0.397,0.55,0.777,0.08835069563429511,0.22816290864231376,0.12117915153176616,0.2110119251593448,0.16217617024192996
EOS-3-41658,Fc1ncccc1CCOc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,AIFHDFHRHVCWHZ-UHFFFAOYSA-N,3,1,0.577,35,300,413.416,3.404,5,0.394,0.74,1.0,0.9022770886162703,0.8056678774587074,0.49224693304091566,0.4611746967308615,0.6653416489616888
EOS-3-41659,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)c1Cl,ZXPHIXDIWPJNPT-UHFFFAOYSA-N,3,1,0.505,44,442,465.851,4.196,5,0.347,0.65,1.0,0.8958261942293194,0.8919282434377356,0.7328404495922144,0.7738931533136865,0.823622010143239
EOS-3-41660,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)nc(C)n1,LJICCIISWKBMJW-UHFFFAOYSA-N,3,1,0.453,7,354,461.436,3.567,5,0.374,0.6,0.994,0.6179836885751491,0.5737440888218766,0.45765369063121103,0.30610479062435747,0.4888715646631485
EOS-3-41661,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5)ncn4)n23)cc1,NRGWHUJVUHPCAH-UHFFFAOYSA-N,3,1,0.354,93,479,445.461,5.116,6,0.375,0.69,1.0,0.29100130217257214,0.4420618874648756,0.8264084024398601,0.8498218079638133,0.6023233500102803
EOS-3-41662,FC(F)(F)COc1cccn2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc12,HBTPUUFELMFQNG-UHFFFAOYSA-N,3,1,0.541,27,679,474.83,4.613,5,0.357,0.74,1.0,0.8887584812555686,0.9180059625796724,0.9468764992118429,0.9226064012062231,0.9190618360633267
EOS-3-41663,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccn1,UIVHCGNSMNHFTP-UHFFFAOYSA-N,3,1,0.541,75,846,413.416,3.404,5,0.421,0.7,1.0,0.7872832568021383,0.7095469810156946,0.5026386128435337,0.5246556096223699,0.6310311150709341
EOS-3-41664,Fc1ccccc1-c1cnnc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,DPLSDRVGTHKESC-UHFFFAOYSA-N,3,1,0.566,19,207,413.416,3.404,5,0.421,0.7,1.0,0.665024672743472,0.6220958124871496,0.5832962099924611,0.6198427112603659,0.6225648516208622
EOS-3-41665,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ncnc(C)c5F)cn4)n23)ccc1Cl,MYNKEUPKMCKBDW-UHFFFAOYSA-N,3,1,0.511,4,677,461.888,4.632,5,0.376,0.66,1.0,0.6803594681653073,0.8672983345898156,0.7198701254197793,0.6864591186347748,0.7384967617024192
EOS-3-41666,Clc1cnc(-c2nccnc2-c2nnc3cncc(OCc4cccnn4)n23)nc1,PPRDGRRFLAHFSO-UHFFFAOYSA-N,3,1,0.437,7,206,418.808,2.061,5,0.418,0.59,1.0,0.4413936673291755,0.46852511822356246,0.04166095538345555,0.07632273319169351,0.25697561853197176
EOS-3-41667,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1F,SEFDPBHKKWTXJH-UHFFFAOYSA-N,3,1,0.558,37,265,467.867,4.14,5,0.373,0.61,1.0,0.9315759714892742,0.9059780001370707,0.8119731341237749,0.8145946131176752,0.8660304297169488
EOS-3-41668,Fc1cc(-c2cnc(-c3nnc4cncc(OCCc5ncccc5Cl)n34)cn2)ccn1,ZSYNWHNKSUXEGK-UHFFFAOYSA-N,3,1,0.427,18,699,448.849,3.452,5,0.364,0.56,0.997,0.6495099719004866,0.7186878897950791,0.4398773216366253,0.5181704475361524,0.5815614077170859
EOS-3-41669,CCOc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)cn1,BPFSHGAHUVDCJF-UHFFFAOYSA-N,3,1,0.5,75,99,465.926,4.336,5,0.35,0.73,1.0,0.5378144061407717,0.6080974573367144,0.36617606743883213,0.3154084709752587,0.45687410047289423
EOS-3-41670,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(Cl)nn5)c4)n23)cc1Cl,KPGWVMVBHSFHCT-UHFFFAOYSA-N,3,1,0.6,57,15,453.264,5.487,5,0.358,0.81,1.0,0.8793005962579672,0.9035706942635872,0.9305822082105407,0.9540213145089439,0.9168687033102597
EOS-3-41671,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)nc1Cl,AYHOFBUEORBPQG-UHFFFAOYSA-N,3,1,0.542,75,183,439.863,4.076,5,0.381,0.66,1.0,0.6009012404907135,0.6654958536083887,0.6144626824754986,0.6313052566650675,0.6280412583099171
EOS-3-41672,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5nccc(CF)n5)n34)cc(C)n2)cn1,GJLMDCPNUXYMPZ-UHFFFAOYSA-N,3,1,0.412,7,99,443.446,3.099,5,0.39,0.52,1.0,0.44140223425399217,0.3679922554999657,0.1384672058118018,0.08859913645397847,0.25911520800493454
EOS-3-41673,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3ccc(-c4ncnn4C)cc3F)n12,YQNJOQOZZACRFW-UHFFFAOYSA-N,3,1,0.348,98,745,482.483,3.197,6,0.368,0.72,1.0,0.33208827359331095,0.30983996984442463,0.339849907477212,0.2845932424097046,0.3165928483311631
EOS-3-41674,Fc1cc(-c2cc(Cl)ncn2)cnc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,MXCTXWZNVFRRTN-UHFFFAOYSA-N,3,1,0.523,34,71,468.279,4.668,5,0.346,0.73,1.0,0.9200191899115894,0.9522393941470769,0.8449729285175793,0.8868137893221849,0.9010113254746076
EOS-3-41675,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)c1,UJPJLZYKQIZNPZ-UHFFFAOYSA-N,3,1,0.488,57,560,451.383,4.989,5,0.353,0.74,1.0,0.8536512233568638,0.8493934617229799,0.9825063395243643,0.9846737715029813,0.9175561990267973
EOS-3-41676,Cc1cncc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)cc(F)c5F)n34)nc2)n1,JEMDSFLJHCNTKH-UHFFFAOYSA-N,3,1,0.389,13,110,451.824,4.676,5,0.366,0.67,0.995,0.7557227057775341,0.7971609211157563,0.844981495442396,0.8406209307107121,0.8096215132615996
EOS-3-41677,Fc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)c(F)cn2)nn1,QJWDFMXAYAPVPW-UHFFFAOYSA-N,3,1,0.506,27,51,468.374,3.833,5,0.347,0.66,1.0,0.9370074018230417,0.8890668905489686,0.8978822561853197,0.8679836885751491,0.8979850592831198
EOS-3-41678,Fc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)nc1,NLMMCAQQSSRJCH-UHFFFAOYSA-N,3,1,0.438,56,425,472.469,3.208,6,0.388,0.62,1.0,0.5981855253238297,0.5737526557466932,0.1351689397573847,0.1688540881365225,0.36899030224110757
EOS-3-41679,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4nc(-c5cncnc5)cs4)n23)cc1,YQVXBQDNGYUOLA-UHFFFAOYSA-N,3,1,0.358,64,449,465.502,3.837,6,0.374,0.63,0.997,0.12396340209718319,0.06781577684874238,0.18219279007607428,0.17162977177712288,0.13640043519978068
EOS-3-41680,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccncc5Cl)n4)n23)cc1,GVGVRQANIFWGPN-UHFFFAOYSA-N,3,1,0.294,39,527,471.847,3.079,6,0.381,0.59,0.989,0.043819820437255845,0.16429648413405523,0.1565348502501542,0.3469347543005963,0.17789647728051539
EOS-3-41681,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cncc(F)n4)n23)nc1,QJRAYRPCXJVBIY-UHFFFAOYSA-N,3,1,0.272,99,813,452.417,2.035,6,0.39,0.51,0.473,0.10783188266739771,0.16025289562058803,0.10963093687889795,0.1383044342402851,0.1290050373517922
EOS-3-41682,CCc1nccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)nc5)n34)n2)n1,ZUHBQMQKMUCTLY-UHFFFAOYSA-N,3,1,0.239,99,286,451.458,1.582,6,0.379,0.52,0.912,0.01740799122746899,0.01810191213761908,0.009757727366184634,0.0062538551161675,0.01288037146186005
EOS-3-41683,c1ccc(-c2cccnc2COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1,GPAMFNYWFGUPCK-UHFFFAOYSA-N,3,1,0.537,12,285,457.497,4.889,6,0.352,0.73,1.0,0.5456274415735728,0.42441402234253994,0.5636094167637585,0.5379771777122884,0.51790701459804
EOS-3-41684,c1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)cn2)nn1,NZJATZVHWUMKSF-UHFFFAOYSA-N,3,1,0.495,40,2,448.45,3.007,6,0.408,0.5,1.0,0.6235093550818998,0.4420704543896923,0.355141868274964,0.31834692618737576,0.43476715098348295
EOS-3-41685,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccccc4Oc4ccccc4)n23)cn1,MIKXNVBDXIZXHC-UHFFFAOYSA-N,3,1,0.337,30,960,445.486,5.046,6,0.369,0.74,0.979,0.18757281886094168,0.0562589952710575,0.5235676101706531,0.504797477897334,0.3180492255499966
EOS-3-41686,c1cnnc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)n5)n34)cn2)c1,BCAUJLHLDJOFJA-UHFFFAOYSA-N,3,1,0.259,86,719,420.4,1.681,6,0.414,0.55,0.939,0.010768624494551435,0.01811047906243575,0.053620382427523816,0.06687341511890892,0.03734322527585498
EOS-3-41687,Fc1ccccc1-n1cnc(COc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)n1,DHKASLZCSSLXCK-UHFFFAOYSA-N,3,1,0.352,6,826,466.44,2.942,6,0.365,0.6,1.0,0.23445959838256458,0.1852511822356247,0.24865499280378314,0.2846018093345213,0.23824189568912343
EOS-3-41688,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(Cl)ncn5)nc4)n23)cc1,XKTJKIPKNMXKEQ-UHFFFAOYSA-N,3,1,0.535,89,805,465.851,4.813,5,0.332,0.74,1.0,0.9683366458775958,0.8702367898019328,0.9198649852648894,0.8964601466657529,0.9137246419025427
EOS-3-41689,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cnncc4Cl)n23)c1,QFWWDVMSXIVHPO-UHFFFAOYSA-N,3,1,0.522,15,931,447.89,3.135,5,0.374,0.55,1.0,0.42301761359742307,0.4598039887601946,0.15044376670550338,0.19891542731820985,0.30804519909533273
EOS-3-41690,COc1ncc(-c2cnn(C)c2C)cc1-c1cncc2nnc(-c3cnc(C)cn3)n12,CRVIDVDGINTORC-UHFFFAOYSA-N,3,1,0.253,50,974,413.445,2.669,5,0.442,0.69,1.0,0.07703378795147693,0.04162668768418888,0.10963950380371462,0.04666403947638956,0.0687410047289425
EOS-3-41691,COC1CN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nn2)C1,YTRDUYSZHRRLFO-UHFFFAOYSA-N,3,1,0.347,62,366,481.491,3.525,6,0.379,0.72,1.0,0.37392913439791653,0.4598125556850113,0.18556815845384142,0.3632890137756151,0.34564971557809604
EOS-3-41692,FC(F)n1nccc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)nc1,BGCBXYPPQLVFAL-UHFFFAOYSA-N,3,1,0.284,70,392,468.431,3.964,6,0.374,0.61,0.999,0.12969467479953395,0.20795353299979438,0.4783856486875471,0.43896066068124184,0.3137486292920293
EOS-3-41693,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)[nH]4)n23)c(F)c1,XXVICEOKLCNZLM-UHFFFAOYSA-N,3,1,0.314,98,407,473.863,3.226,6,0.386,0.64,0.538,0.1958142005345761,0.37757864436981703,0.34357651977246245,0.44546295661709273,0.34060808032348705
EOS-3-41694,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)nc2F)n1,FCLRXVUOIMSFKZ-UHFFFAOYSA-N,3,1,0.417,46,223,466.839,3.857,5,0.36,0.64,1.0,0.680368035090124,0.7095555479405112,0.5960352271948461,0.5985282023164965,0.6461217531354945
EOS-3-41695,c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)c1,HBAZVIGPYONGNG-UHFFFAOYSA-N,3,1,0.328,69,57,433.5,5.039,6,0.387,0.7,1.0,0.07936399150161058,0.17685559591529024,0.6290350215886505,0.6281526283325337,0.3783518093345213
EOS-3-41696,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cn2)s1,MOWGINYCIZGZPO-UHFFFAOYSA-N,3,1,0.424,51,85,436.888,3.641,5,0.384,0.6,1.0,0.519652525529436,0.680213830443424,0.17265780275512302,0.18531971763415805,0.3894609690905353
EOS-3-41697,Clc1cncc(CCOc2cncc3nnc(-c4cnnc(-c5ncno5)c4)n23)n1,OUTLZUSCKKGONS-UHFFFAOYSA-N,3,1,0.406,20,279,422.796,1.696,5,0.394,0.6,0.95,0.3831128778013844,0.44207902131450894,0.04985950243300665,0.08322767459392777,0.23956976903570693
EOS-3-41698,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)c(F)c5)n34)nc2)n(C)n1,OKTZSFNBHOIYIC-UHFFFAOYSA-N,3,1,0.483,13,412,467.411,4.428,5,0.365,0.69,1.0,0.5326913851004044,0.741981358371599,0.87476869302995,0.7762747584127202,0.7314290487286683
EOS-3-41699,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCCOCc4ccccc4F)n23)c1,XPSVDMQXMFTLLX-UHFFFAOYSA-N,3,1,0.48,91,309,458.497,4.317,5,0.306,0.76,1.0,0.4773233500102803,0.3534541840860805,0.6443012816119525,0.6139143992872319,0.5222483037488863
EOS-3-41700,Cn1cnc(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)cc5)c4)n23)c1,MBUOFBQHJZFPHO-UHFFFAOYSA-N,3,1,0.588,91,660,414.444,3.952,5,0.421,0.74,1.0,0.7043211568775273,0.670438969227606,0.6586937153039545,0.6658899321499554,0.6748359433897608
EOS-3-41701,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C)c(Cl)c5)n34)c(F)cn2)nn1,MSCXAVDXDGMABO-UHFFFAOYSA-N,3,1,0.483,16,772,462.876,4.027,5,0.385,0.58,1.0,0.7583870193955178,0.8093516551298746,0.5602768830100747,0.5769652525529436,0.6762452025221026
EOS-3-41702,Cc1nc(-c2ncc(C)s2)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)n1,BHGBORIPBXQQHJ-UHFFFAOYSA-N,3,1,0.379,7,330,451.903,3.344,5,0.396,0.56,0.999,0.39644301281611954,0.4334606949489411,0.05154718662189021,0.057544033993557675,0.23474873209512712
EOS-3-41703,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(O)nc5)nc4)n23)cc1,HYQBPFJPHSJUTL-UHFFFAOYSA-N,3,1,0.307,42,762,446.474,4.021,6,0.436,0.57,1.0,0.279915701459804,0.10777191419368104,0.5371204852306216,0.45815057227057776,0.3457396682886711
EOS-3-41704,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)ccn2)cn1,DUEIRIXFTTWGEQ-UHFFFAOYSA-N,3,1,0.505,75,530,462.876,3.761,5,0.375,0.57,1.0,0.7759749160441368,0.7764203961346036,0.5132958673154684,0.5012850387225002,0.6417440545541773
EOS-3-41705,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)s4)n23)nn1,CSKMTKXAMCPGNH-UHFFFAOYSA-N,3,1,0.269,76,272,443.521,3.834,6,0.408,0.56,0.669,0.060071276814474675,0.07152525529435953,0.05912034815982455,0.09448461380302926,0.07130037351792201
EOS-3-41706,Fc1cc(-c2ccccn2)cc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)c1,YTWIMROZIOSCCX-UHFFFAOYSA-N,3,1,0.517,57,709,449.848,5.364,5,0.361,0.78,1.0,0.9053440477006374,0.8943612500856692,0.9619799876636282,0.970521211705846,0.9330516242889452
EOS-3-41707,Cn1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cc(-c2ccccn2)c1=O,YFTHJGGQLAVKJT-UHFFFAOYSA-N,3,1,0.455,87,307,477.887,3.361,5,0.369,0.65,1.0,0.47733191693509697,0.28958775957782196,0.5133044342402852,0.5546055787814406,0.45870742238366113
EOS-3-41708,CCc1cnc(COc2cncc3nnc(-c4cncc(-c5nccn5C)c4)n23)cn1,YMDBBLMSHPMFAA-UHFFFAOYSA-N,3,1,0.424,7,184,413.445,2.518,5,0.418,0.7,1.0,0.2585240901925845,0.15267116715783702,0.0942875745322459,0.05457987800699061,0.1400156774724145
EOS-3-41709,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)s1,XSZUBCQOSCPWDR-UHFFFAOYSA-N,3,1,0.5,65,142,421.511,3.696,5,0.413,0.66,1.0,0.48949695017476524,0.372729764923583,0.09648927421012954,0.09641217188677952,0.2637820402988143
EOS-3-41710,N#Cc1ncc(Oc2cncc3nnc(-c4ccccc4-c4ccc(F)c(F)n4)n23)cc1F,SXKCTRYOLVOSFY-UHFFFAOYSA-N,3,1,0.415,13,145,445.364,4.33,5,0.38,0.63,1.0,0.8734408196833665,0.9035792611884038,0.9161469398944555,0.9038191350832705,0.899246538962374
EOS-3-41711,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3nccc(-c4cnn(C)c4)n3)n12,BJTORRAZBJKBNY-UHFFFAOYSA-N,3,1,0.314,74,333,411.429,2.056,5,0.479,0.66,1.0,0.04382838736207251,0.029059008978137207,0.13517750668220135,0.07633130011651018,0.0710990507847303
EOS-3-41712,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)nc4)n23)n(C)n1,PMIMUAOAUSXTDM-UHFFFAOYSA-N,3,1,0.418,7,662,417.408,2.403,5,0.429,0.62,1.0,0.3964515797409362,0.4379326297032417,0.18869508601192517,0.13831300116510178,0.2903480741553012
EOS-3-41713,FCc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)nn2)c1,WIYIFFCDXOGEGR-UHFFFAOYSA-N,3,1,0.406,54,411,463.864,3.178,5,0.335,0.62,0.795,0.6495185388253033,0.6177181139058323,0.28160338564868753,0.3092659858817079,0.46452650606538276
EOS-3-41714,COc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,RVFYKJNFEGTQMT-UHFFFAOYSA-N,3,1,0.494,65,858,460.885,3.322,5,0.337,0.62,1.0,0.6740713453498732,0.6607669111095881,0.432381262422041,0.3597680076759646,0.5317468816393667
EOS-3-41715,Cc1cncc(COc2cncc3nnc(-c4cncc(-c5ccc(F)cn5)c4)n23)n1,GBCRNXUOSUMXMN-UHFFFAOYSA-N,3,1,0.424,2,422,414.404,3.065,5,0.432,0.66,1.0,0.5896871359056953,0.5181875813857858,0.4102357617709547,0.3729011034199164,0.47275289562058803
EOS-3-41716,Cc1cnc(Cl)cc1COc1cncc2nnc(-c3ccnc(-c4cccc(F)n4)c3)n12,WMNDQEROYJACOX-UHFFFAOYSA-N,3,1,0.461,24,912,447.861,4.323,5,0.37,0.64,1.0,0.8646682886710986,0.7551487218148174,0.7249760126105134,0.7004660407100267,0.761314765951614
EOS-3-41717,Fc1cccc(CCOc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)c1,IXMQGYHNDRJWSH-UHFFFAOYSA-N,3,1,0.568,11,56,413.416,3.404,5,0.421,0.71,1.0,0.7289082311013638,0.7141731204166952,0.4716520457816462,0.5048060448221506,0.604884860530464
EOS-3-41718,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COc4ccncc4)n23)c(F)c1,CBVTZBULWMVJJV-UHFFFAOYSA-N,3,1,0.444,63,9,404.405,2.797,5,0.531,0.92,1.0,0.47467617024193,0.39150846412171886,0.30332054005894044,0.34694332122541294,0.37911212391200055
EOS-3-41719,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)n1C,ASMBARRCNMXUKN-UHFFFAOYSA-N,3,1,0.36,9,553,462.492,4.763,6,0.375,0.7,1.0,0.2532896991296004,0.2584469878692345,0.37398910287163317,0.4073315742581043,0.3232643410321431
EOS-3-41720,Clc1cc(-c2cocn2)ccc1-c1cncc2nnc(-c3cnc(-c4ccccn4)nc3)n12,NIPFVPKVOQPABZ-UHFFFAOYSA-N,3,1,0.321,32,693,452.865,4.619,6,0.381,0.62,1.0,0.25566273730381744,0.33893324652182855,0.5303611815502707,0.6014323898293469,0.43159738880131593
EOS-3-41721,Fc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,CMKWSDAQLITKLW-UHFFFAOYSA-N,3,1,0.556,35,143,419.445,3.465,5,0.389,0.66,1.0,0.7227657460078131,0.7889966417654719,0.362595092865465,0.3532657117401138,0.556905798094716
EOS-3-41722,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)[nH]4)n23)cc1,KXKQGMJUXYQXRW-UHFFFAOYSA-N,3,1,0.329,94,407,470.859,3.888,6,0.385,0.63,0.223,0.2910098690973888,0.4420875882393256,0.5026471797683504,0.6460146665752862,0.4704398259200877
EOS-3-41723,Fc1ncccc1-n1cc(-c2cncc3nnc(-c4ccnnc4-c4cscn4)n23)nn1,MLZUJPKZQVMUAF-UHFFFAOYSA-N,3,1,0.276,10,312,443.431,2.487,6,0.378,0.53,1.0,0.004309163182783908,0.0948187238708793,0.10447364813926394,0.16347405935165513,0.09176889863614557
EOS-3-41724,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c(F)c1,HPXHEPFUUHOQQJ-UHFFFAOYSA-N,3,1,0.488,16,772,453.84,4.097,5,0.398,0.58,1.0,0.7616081831265848,0.737338085120965,0.8882958673154684,0.8797032417243507,0.8167363443218423
EOS-3-41725,CCc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(C)cc6)n5)n34)cn2)cn1,YWDTZYBQZNRMOF-UHFFFAOYSA-N,3,1,0.29,10,705,459.517,4.367,6,0.377,0.63,0.985,0.02897333972997053,0.05626756219587417,0.30684154615859094,0.26693681036255223,0.16475481461174696
EOS-3-41726,CC(C)(O)c1ccc(-c2cc(Cl)cc(-c3nnc4cncc(OCc5ccccn5)n34)c2)cn1,LHRAWLAPMVNXAR-UHFFFAOYSA-N,3,1,0.718,4,439,472.936,4.708,5,0.382,0.77,1.0,0.5352443286957713,0.6899715578096086,0.8371513261599616,0.7058632033445275,0.6920576040024672
EOS-3-41727,Clc1cnc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ccccn5)c4)n23)nc1,KJQZTVASITZXMO-UHFFFAOYSA-N,3,1,0.473,75,795,465.304,3.967,5,0.347,0.62,0.997,0.7469758755397162,0.7506082516619834,0.32526900143924337,0.43896922760605855,0.5654555890617504
EOS-3-41728,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)ccn1,RCICATMMACJXIJ-UHFFFAOYSA-N,3,1,0.544,75,578,414.404,2.799,5,0.391,0.73,1.0,0.87548831471455,0.8864882461791516,0.3587399766979645,0.3243694743334932,0.6112715029812898
EOS-3-41729,Cc1nnc(CCc2cncc3nnc(-c4cccc(-c5cnc(CO)cn5)c4)n23)o1,PCSLWKGQHDGGGR-UHFFFAOYSA-N,3,1,0.4,85,580,414.429,2.217,5,0.445,0.66,1.0,0.14018915769995202,0.120048317455966,0.046355630182989514,0.05064765951614009,0.0893101912137619
EOS-3-41730,CCOc1cc(C)c(Cl)cc1-c1cncc2nnc(-c3ccc(C(=O)O)nc3)n12,QMEBRDKKXQBGBD-UHFFFAOYSA-N,3,1,0.352,90,861,409.833,3.912,4,0.533,0.73,0.894,0.37153039544924954,0.3680008224247824,0.5472808580631896,0.4138338701939552,0.4251614865327942
EOS-3-41731,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nc1,WAVJHLUIAIUBAH-UHFFFAOYSA-N,3,1,0.477,54,873,414.404,2.799,5,0.418,0.64,1.0,0.6678774587074224,0.5318603933931876,0.41373106709615515,0.42334315674045647,0.5092030189843054
EOS-3-41732,COc1cccc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cnn2)c1,WRVMTUJPPRLBPS-UHFFFAOYSA-N,3,1,0.414,36,662,428.456,2.878,5,0.407,0.56,1.0,0.25072818860941676,0.1682458364745391,0.2378949352340484,0.13832156808991844,0.19879763210198068
EOS-3-41733,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cocn5)ccc4Cl)n23)c(F)c1,DMWAUJAUUDRCDS-UHFFFAOYSA-N,3,1,0.512,43,951,435.846,5.126,5,0.381,0.75,1.0,0.9039048043314372,0.9059865670618875,0.9161555068192722,0.9118292097868549,0.909469021999863
EOS-3-41734,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)n4)n23)nc1,DOZKOGHWMYYKGP-UHFFFAOYSA-N,3,1,0.479,11,814,464.316,4.572,5,0.34,0.71,0.992,0.772976492358303,0.7680162428894524,0.5404958536083887,0.6460232335001028,0.6818779555890617
EOS-3-41735,Cc1cc(-c2cc(-c3nnc4cncc(Cc5cncc(Cl)c5)n34)c(C)cn2)ccc1F,QUUCUVHREUHOQR-UHFFFAOYSA-N,3,1,0.311,14,81,444.901,5.248,5,0.378,0.73,0.977,0.3693543965458159,0.39624597354533614,0.8622267150983483,0.869791309711466,0.6244045987252416
EOS-3-41736,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc(Cl)n2)c1,BDBWIYLLZIEZRL-UHFFFAOYSA-N,3,1,0.466,73,210,468.279,4.668,5,0.346,0.7,1.0,0.8374683023781784,0.8391302857926118,0.7478411349461997,0.8346583510383113,0.8147745185388253
EOS-3-41737,Cc1ccc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cnccn5)c4)n23)cn1,XRRLIZODPTXNBI-UHFFFAOYSA-N,3,1,0.517,75,324,444.886,3.622,5,0.366,0.56,1.0,0.7227743129326297,0.768024809814269,0.39991261736687,0.37290967034473305,0.5659053526146255
EOS-3-41738,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ncn2)cn1,HZBHABPXPUNIHL-UHFFFAOYSA-N,3,1,0.398,18,194,415.392,2.194,5,0.385,0.67,0.812,0.5668562812692756,0.5091666095538345,0.2343996299088479,0.23128126927558085,0.3854259475018847
EOS-3-41739,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ncn4)n23)nc1C,BBORRWZUSFDWLA-UHFFFAOYSA-N,3,1,0.381,31,690,461.917,3.443,5,0.339,0.66,0.939,0.41601843602220545,0.4244225892673566,0.15980741553012132,0.14064320471523542,0.2852229113837297
EOS-3-41740,Cc1nnc(-c2ccccn2)cc1COc1cncc2nnc(-c3ccc(F)cc3)n12,SKPOABYTKVXCLP-UHFFFAOYSA-N,3,1,0.578,43,268,413.416,3.67,5,0.434,0.69,1.0,0.9116664382153382,0.8555359468165308,0.46823384277979574,0.4736567061887465,0.6772732335001028
EOS-3-41741,CCn1nc(-c2ccc(F)cc2)nc1-c1cncc2nnc(-c3ccc(C#N)cc3)n12,BJYRIZMSNQTMSO-UHFFFAOYSA-N,3,1,0.453,61,316,410.416,3.747,5,0.448,0.8,1.0,0.2507367555342334,0.46425022274004524,0.38886128435336853,0.5281766157220205,0.4080062195874169
EOS-3-41742,c1coc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)n1,YOSNUSKNZKRDOA-UHFFFAOYSA-N,3,1,0.344,32,479,423.461,4.632,6,0.408,0.67,1.0,0.13504043588513467,0.19860701802480982,0.4542783222534439,0.442258926735659,0.30754617572476184
EOS-3-41743,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)n1C,RNZNIELXESYHRJ-UHFFFAOYSA-N,3,1,0.5,16,55,449.877,4.267,5,0.373,0.62,1.0,0.6040196011239806,0.5229422246590364,0.6692653005277226,0.6253426769926667,0.6053924508258516
EOS-3-41744,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cnn2)cn1,FEFHOUHVLWPQTP-UHFFFAOYSA-N,3,1,0.474,87,778,445.874,3.017,5,0.388,0.51,1.0,0.6555582208210541,0.7049379754643273,0.2592437118771846,0.26694537728736895,0.47167132136248374
EOS-3-41745,Fc1ncc(COc2cncc3nnc(-c4cc(-c5cnoc5)ccn4)n23)cc1Cl,DKVFVGSJUCZUPZ-UHFFFAOYSA-N,3,1,0.416,46,160,423.795,3.608,5,0.395,0.63,1.0,0.6009098074155301,0.4642587896648619,0.72498457953533,0.7222431635939963,0.6280990850524296
EOS-3-41746,COc1ncc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1-c1cncc(F)c1,RFIOJDIUOJIEJJ-UHFFFAOYSA-N,3,1,0.489,35,657,461.432,3.552,5,0.339,0.67,1.0,0.8066873415118909,0.7325920087725311,0.6472825714481529,0.557946679459941,0.686127150298129
EOS-3-41747,CCc1cncc(COc2cncc3nnc(-c4ccc(-c5nnco5)nc4Cl)n23)c1,LPPWXEGSDOBXEN-UHFFFAOYSA-N,3,1,0.456,55,271,434.847,3.426,5,0.37,0.6,1.0,0.5251010897128366,0.5506562264409568,0.2739788225618532,0.26091426221643477,0.40266260023302036
EOS-3-41748,Cc1sc(-c2cnc(F)cn2)cc1COc1cncc2nnc(-c3ncccn3)n12,PRNHGWRCJCPGSL-UHFFFAOYSA-N,3,1,0.376,7,242,420.433,3.126,5,0.427,0.59,1.0,0.6407117401137687,0.5181961483106025,0.16610410527037214,0.14786512233568638,0.3682192790076074
EOS-3-41749,Cc1nc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)ccc1F,WPFCTVQTWBDAOJ-UHFFFAOYSA-N,3,1,0.449,7,181,414.404,3.065,5,0.432,0.67,1.0,0.5070334452744842,0.4508943869508601,0.4071516688369543,0.3404924268384621,0.4263929819751902
EOS-3-41750,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cccc(F)n5)c4)n23)c1,YQUDUZJWEXFABJ-UHFFFAOYSA-N,3,1,0.575,84,73,430.418,4.148,5,0.377,0.61,1.0,0.837476869302995,0.8133438420944418,0.8209684051812761,0.820608594338976,0.8230994277294224
EOS-3-41751,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)n4)n23)n(C)n1,KBZPHAKYUCADBA-UHFFFAOYSA-N,3,1,0.407,31,662,422.449,3.07,5,0.402,0.61,0.995,0.30413439791652386,0.3915170310465355,0.12118771845658283,0.09449318072784593,0.22783308203687203
EOS-3-41752,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1F,OFNOJGMLKGYTSN-UHFFFAOYSA-N,3,1,0.63,88,876,466.879,4.745,5,0.361,0.69,1.0,0.9390206291549585,0.9364933863340416,0.8883044342402852,0.8935816599273525,0.9143500274141595
EOS-3-41753,Fc1cc(CCCOc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)nnc1Cl,NTIMQWJZRHFFNZ-UHFFFAOYSA-N,3,1,0.439,72,628,462.876,3.842,5,0.336,0.64,1.0,0.7844561716126379,0.8758309917072168,0.3551504351997807,0.46118326365567813,0.6191552155438285
EOS-3-41754,c1cnc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccoc6)c5)n34)cc2)nc1,VLNUTUXSAPVKJD-UHFFFAOYSA-N,3,1,0.329,42,106,417.432,4.57,6,0.415,0.73,1.0,0.14576622575560277,0.10106401206223015,0.6319477760263176,0.6253512439174834,0.3760323144404085
EOS-3-41755,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5sccc5Cl)n34)ncn2)c(C)n1,OGCYJWWWUJMZES-UHFFFAOYSA-N,3,1,0.396,7,113,450.915,3.949,5,0.396,0.62,0.989,0.4773404838599136,0.5002741415941334,0.2060602426153108,0.21102049208416146,0.3486738400383798
EOS-3-41756,Cc1cncc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)cs5)n34)c2)n1,XDTIILHWOJOKKX-UHFFFAOYSA-N,3,1,0.444,7,720,435.9,4.246,5,0.407,0.61,1.0,0.5225310122678364,0.5411041052703721,0.40335652114317044,0.4169607977520389,0.4709881091083545
EOS-3-41757,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)cc(F)n4)n23)cn1,JNJIXSDAPBISAN-UHFFFAOYSA-N,3,1,0.5,36,728,418.396,1.798,5,0.393,0.63,1.0,0.4115893358919882,0.4862243848947982,0.10964807072853129,0.10049859502433006,0.2769900966349119
EOS-3-41758,CCn1nc(C)nc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)ncn1,FYWPJYVBTPRAFN-UHFFFAOYSA-N,3,1,0.484,36,463,465.88,3.54,5,0.374,0.6,1.0,0.4943886642450826,0.6948718388047427,0.1629771777122884,0.2372524158727983,0.397372524158728
EOS-3-41759,COCc1ncc(-c2cnnc(-c3nnc4cncc(OCc5ccnc(CO)c5)n34)c2)cn1,IWSHPNKQHGVJSV-UHFFFAOYSA-N,3,1,0.356,92,182,457.454,1.651,5,0.363,0.59,1.0,0.3217822630388596,0.12005688438078267,0.1921475567130423,0.1162446028373655,0.1875578267425125
EOS-3-41760,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)nc1,MEBAIRYSGBHZCU-UHFFFAOYSA-N,3,1,0.389,53,65,417.368,0.984,5,0.39,0.61,1.0,0.5779675827564937,0.4729028168048797,0.03878246864505517,0.05458844493180728,0.28606032828455896
EOS-3-41761,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cc2F)nc1,DDROHAILSPEWPA-UHFFFAOYSA-N,3,1,0.523,73,141,467.386,3.821,5,0.351,0.62,1.0,0.9634363648824618,0.939371873072442,0.8209769721060928,0.8284730313206772,0.8880645603454185
EOS-3-41762,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)s1,IKMRBARQIUNZRL-UHFFFAOYSA-N,3,1,0.438,7,85,436.888,3.641,5,0.411,0.57,1.0,0.47734905078473033,0.6459975327256527,0.2234082653690631,0.222457336714413,0.39230304639846475
EOS-3-41763,Cn1cnnc1-c1cncc2nnc(-c3ccc(-c4cnc(-c5cnccn5)nn4)o3)n12,YHDXGYPPTNNHQK-UHFFFAOYSA-N,3,1,0.242,99,286,424.388,1.489,6,0.404,0.55,0.615,0.022145500651086288,0.0025358097457336714,0.016953944212185594,0.019207045438969228,0.015210575011993695
EOS-3-41764,COc1cnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1,FFCDVSMRHGRPGO-UHFFFAOYSA-N,3,1,0.531,56,8,412.413,2.626,5,0.415,0.7,1.0,0.5668648481940922,0.39625454047015285,0.22709204304023028,0.12936913165650057,0.329895140840244
EOS-3-41765,Cc1[nH]cnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)nc1,SRLTWLQGTGUGTR-UHFFFAOYSA-N,3,1,0.265,42,174,436.504,4.675,6,0.431,0.64,1.0,0.0635237475155918,0.07846446439586047,0.43238982934685766,0.42027619765608937,0.24866355972859983
EOS-3-41766,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cn1,AFURONOMCBWMDA-UHFFFAOYSA-N,3,1,0.452,2,858,448.849,3.718,5,0.375,0.59,1.0,0.7407134534987321,0.69996915907066,0.6587022822287711,0.6198512781851826,0.6798090432458365
EOS-3-41767,COCc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)cn1,HHPFEJBVYGIBKF-UHFFFAOYSA-N,3,1,0.647,79,660,455.493,4.76,5,0.336,0.72,1.0,0.6862535124391749,0.6559608662874374,0.8264169693646769,0.7691899115893359,0.7344553149201563
EOS-3-41768,Fc1ncc(Cl)c(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)n1,LETCEHGGEAZUTG-UHFFFAOYSA-N,3,1,0.368,51,48,470.255,3.458,5,0.356,0.63,0.999,0.7557312727023507,0.8171989582619423,0.4033650880679871,0.5079586731546843,0.6210634980467411
EOS-3-41769,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5F)n34)c2)nn1,XYCVUPGMEGFHPO-UHFFFAOYSA-N,3,1,0.258,39,972,469.419,2.779,6,0.383,0.55,0.707,0.10030155575354671,0.12724453430196697,0.32527756836406,0.407340141182921,0.2400409499006237
EOS-3-41770,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)nc4)n23)c1-c1ccccn1,IKEJSPPRYHQLRI-UHFFFAOYSA-N,3,1,0.317,32,693,466.455,4.594,6,0.378,0.65,1.0,0.16251456377218834,0.3248235213487766,0.7354190939620314,0.7642382290453019,0.49674885203207464
EOS-3-41771,Cc1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(-c5ccc(F)cn5)c4)n23)cc1,RSNBEJJZUATYTG-UHFFFAOYSA-N,3,1,0.535,97,666,446.873,4.928,5,0.356,0.71,1.0,0.9582533753683777,0.9010862860667535,0.8576005756973477,0.847868549105613,0.891202196559523
EOS-3-41772,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(F)c4)n23)c(F)c1,OJSWNTHZRISKBN-UHFFFAOYSA-N,3,1,0.469,0,646,405.408,3.553,5,0.551,0.83,1.0,0.27437290110341994,0.3680093893495991,0.5833047769172778,0.7058717702693441,0.48288970940991016
EOS-3-41773,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(-c6cncnc6)ccn5)n34)c2)cn1,BWMIDLZPAROWKE-UHFFFAOYSA-N,3,1,0.388,80,34,474.488,3.383,6,0.354,0.63,1.0,0.2770372147214036,0.19399801247344253,0.32528613528887673,0.24871496127749984,0.2612590809403057
EOS-3-41774,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccn2)nc1,TZJIVWDRPBJJMX-UHFFFAOYSA-N,3,1,0.466,13,110,415.844,4.397,5,0.429,0.71,1.0,0.615173737235282,0.6314508943869509,0.502655746693167,0.5449249537386059,0.5735513330135015
EOS-3-41775,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c(F)c1,IRKAFBQSKMWBSI-UHFFFAOYSA-N,3,1,0.489,16,79,454.828,3.492,5,0.375,0.58,1.0,0.637764717976835,0.6221043794119663,0.7825286135288877,0.7856212733877047,0.7070047460763484
EOS-3-41776,Cc1cc(-c2nnc3cncc(-c4cnn(-c5cccc(F)c5)n4)n23)c(F)cc1C#N,UNPGTWIMIFFHNH-UHFFFAOYSA-N,3,1,0.317,22,331,414.379,3.497,5,0.448,0.66,1.0,0.06353231444040847,0.2843962031389213,0.795027756836406,0.8206171612637927,0.4908933589198821
EOS-3-41777,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ncc(-c4cc[nH]n4)nc3OC(C)C)n12,QXFFCUQDYUQMNQ-UHFFFAOYSA-N,3,1,0.321,74,333,455.482,2.833,5,0.397,0.59,0.883,0.36452265094921527,0.18108765677472413,0.14436981701048593,0.05755260091837434,0.1868831814131999
EOS-3-41778,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5cccc(F)c5F)n34)cn2)nn1,QGPMQXGRNZIFHH-UHFFFAOYSA-N,3,1,0.32,32,693,467.443,3.989,6,0.387,0.57,0.365,0.1488503186896032,0.24858645740524982,0.6204509629223494,0.6543331505722706,0.41805522239736825
EOS-3-41779,Fc1ccc(-c2nccnc2COc2cncc3nnc(-c4ccnc(F)c4)n23)nc1,XLZRVYDQAVEEFV-UHFFFAOYSA-N,3,1,0.483,24,199,418.367,2.896,5,0.402,0.63,1.0,0.6740799122746899,0.6364454115550682,0.45058597765746006,0.47366527311356316,0.5586941436501953
EOS-3-41780,CC#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)cn1,CISFAJLOIBBSSN-UHFFFAOYSA-N,3,1,0.483,16,214,443.467,3.794,5,0.382,0.61,1.0,0.8420087725310123,0.7849530532520047,0.5062195874169009,0.4105870056884381,0.635942104722089
EOS-3-41781,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cnn2)cn1,YLWWIUZEKLVCCJ-UHFFFAOYSA-N,3,1,0.628,92,294,420.383,2.839,5,0.431,0.55,1.0,0.6206223014186828,0.5549225549996574,0.732849016517031,0.6921047220889589,0.6501246487560826
EOS-3-41782,Cn1c(-c2cnc(Cl)cn2)nnc1-c1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,IRJIOUHTLXDJAE-UHFFFAOYSA-N,3,1,0.35,86,754,473.913,3.216,6,0.379,0.6,0.984,0.10031012267836338,0.2895963265026386,0.046364197107806183,0.10050716194914673,0.13419445205948874
EOS-3-41783,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4C)n23)nn1,WPFRJJMTMDIJOK-UHFFFAOYSA-N,3,1,0.44,72,534,410.441,3.234,5,0.435,0.77,1.0,0.3645312178740319,0.25845555479405113,0.2664227948735522,0.205023644712494,0.27360830306353234
EOS-3-41784,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ncc(F)cn5)n4)n23)nc1,JVDYAPFQGJRCRG-UHFFFAOYSA-N,3,1,0.352,33,647,485.458,2.8,6,0.389,0.68,1.0,0.1705589061750394,0.18109622369954081,0.09429614145706257,0.16104961962853814,0.15175022274004524
EOS-3-41785,Cc1nn(C)c(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,ZKCDQSQQWOERIO-UHFFFAOYSA-N,3,1,0.529,27,69,462.464,4.115,5,0.375,0.68,0.999,0.45774792680419435,0.40596943321225415,0.4955537660201494,0.3469518881502296,0.4265557535467069
EOS-3-41786,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cs1,HJWBHRHDNNOQKL-UHFFFAOYSA-N,3,1,0.468,87,510,421.461,3.409,5,0.391,0.64,1.0,0.477357617709547,0.40138612843533683,0.24152731135631553,0.22847988486053047,0.33718773559043247
EOS-3-41787,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)ccn1,LMCAOTSRVUVHQJ-UHFFFAOYSA-N,3,1,0.551,2,419,418.457,4.07,5,0.387,0.72,1.0,0.7043297238023439,0.67508224247824,0.6615550681927216,0.6429905421150024,0.6709893941470769
EOS-3-41788,Cc1ncccc1-c1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)cnn1,FCVCTZJIFWBTPC-UHFFFAOYSA-N,3,1,0.438,55,875,432.394,3.204,5,0.39,0.55,0.999,0.6920790213145089,0.6314594613117676,0.6381416626687684,0.5804519909533274,0.635533034062093
EOS-3-41789,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)cn1,HIDKAOKRDGOGHY-UHFFFAOYSA-N,3,1,0.375,46,720,432.394,3.204,5,0.39,0.55,1.0,0.6678860256322391,0.5458159139195394,0.6174782400109656,0.5415581522856555,0.5931845829620999
EOS-3-41790,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1ncccn1,RTIKGYCOLZEKFU-UHFFFAOYSA-N,3,1,0.565,35,265,465.851,4.196,5,0.371,0.6,1.0,0.9712065656911795,0.9634706325817285,0.8174473990816257,0.8325937221574944,0.896179579878007
EOS-3-41791,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(Cl)c4)n23)c(F)cn1,WADDMZARBUAVLW-UHFFFAOYSA-N,3,1,0.483,47,164,440.801,3.482,5,0.417,0.52,1.0,0.8991158933589198,0.8524689877321636,0.8174559660064423,0.8284815982454938,0.8493806113357549
EOS-3-41792,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(-c6nnco6)cc5)ccn4)n23)cn1,JKKYEXIYEIJINE-UHFFFAOYSA-N,3,1,0.415,77,2,466.436,4.016,6,0.336,0.67,1.0,0.6678945925570557,0.47752038928106366,0.6233894181344665,0.5739925296415599,0.5856992324035365
EOS-3-41794,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)nc5)n34)c2)nc1,POYWMVKSIRTCRD-UHFFFAOYSA-N,3,1,0.412,80,34,479.439,2.608,6,0.348,0.67,1.0,0.7527671167157837,0.554931121924474,0.2816119525735042,0.2756579398259201,0.46624203275992043
EOS-3-41795,Cc1nc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccc1-c1cnc(C)n1C,IZVFXOVBAMOTAG-UHFFFAOYSA-N,3,1,0.385,46,717,448.437,3.456,5,0.38,0.56,0.999,0.6009183743403468,0.4509029538756768,0.48553046398464805,0.3855287505996847,0.4807201357000891
EOS-3-41796,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)c1,YLXFHNPBDSEWJC-UHFFFAOYSA-N,3,1,0.54,35,919,464.863,4.801,5,0.336,0.75,1.0,0.9608919882119115,0.9702299362620793,0.8965886505380029,0.9150932081420053,0.9357009457884997
EOS-3-41797,CCn1nccc1-c1cccc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)c1,KGTMVDZNWRVXGZ-UHFFFAOYSA-N,3,1,0.436,92,506,412.457,3.352,5,0.422,0.74,1.0,0.17595606880954012,0.10107257898704682,0.18220135700089096,0.12313241038996642,0.14559060379686106
EOS-3-41798,OCc1cnc(-c2cc(-c3nnc4cncc(Oc5ccncc5F)n34)ncn2)cn1,BQLBFWITRKYJIP-UHFFFAOYSA-N,3,1,0.333,7,296,417.364,1.857,5,0.451,0.6,0.995,0.6264135425947502,0.522950791583853,0.29234630936878897,0.2609228291412515,0.42565836817216096
EOS-3-41799,Cc1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)cn5)n34)cn2)cnn1,MNRQCFRISODIPZ-UHFFFAOYSA-N,3,1,0.272,70,72,462.452,3.61,6,0.362,0.57,0.997,0.23151257624563087,0.29477931601672264,0.4102443286957714,0.41384243711877183,0.3375946645192242
EOS-3-41800,CCc1nc(-c2nnc3cncc(OCc4cc(C)ncn4)n23)ccc1-c1cnc(C)o1,RSPVZSRAUJXNQN-UHFFFAOYSA-N,3,1,0.381,31,690,428.456,3.39,5,0.401,0.58,0.979,0.2042269207045439,0.12359502433006649,0.09430470838187924,0.04394832430950586,0.11651874443149886
EOS-3-41801,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)c1,VOCWYDILLMWNMX-UHFFFAOYSA-N,3,1,0.474,87,307,465.851,4.196,5,0.371,0.63,1.0,0.8277362757864437,0.8287557398396271,0.7478497018710164,0.7993283530943732,0.8009175176478651
EOS-3-41802,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)ncn1,XZMCYGYRHXMJCC-UHFFFAOYSA-N,3,1,0.406,44,488,449.396,3.948,5,0.375,0.59,1.0,0.7165290247412789,0.6409516140086354,0.8835754917414845,0.8365002398738949,0.7693890925913235
EOS-3-41803,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)cc1F,IIINPNDQZIAWKF-UHFFFAOYSA-N,3,1,0.69,2,884,421.432,4.772,5,0.409,0.73,1.0,0.8277448427112604,0.7326005756973477,0.9255105887190734,0.9193681036255226,0.8513060276883011
EOS-3-41804,OCc1ccc(COc2cncc3nnc(-c4cncc(-c5csnn5)c4)n23)c(Cl)n1,WXQSRGRMBINDRB-UHFFFAOYSA-N,3,1,0.427,2,875,452.887,2.825,5,0.387,0.59,1.0,0.37846960455075046,0.42443115619217325,0.3778956205880337,0.3855373175245014,0.3915834247138647
EOS-3-41805,N#Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccnc(CF)c5)ncn4)n23)n1,MZPJAKUOZSCMKR-UHFFFAOYSA-N,3,1,0.406,44,238,439.414,2.958,5,0.392,0.54,0.849,0.5020217942567337,0.4107155095606881,0.4434925639092591,0.37599376327873346,0.4330559077513536
EOS-3-41806,Cc1cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)cc(-c2nccs2)n1,XEAIFDMGSRHRPC-UHFFFAOYSA-N,3,1,0.462,75,795,450.915,3.683,5,0.386,0.58,1.0,0.6586594476046879,0.6510777191419368,0.09922212322664656,0.12075080529093277,0.382427523816051
EOS-3-41807,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)cc1-c1cccc(F)c1,OFRQCNQBMFUVBU-UHFFFAOYSA-N,3,1,0.516,91,132,460.444,4.157,5,0.36,0.61,1.0,0.8398670413268453,0.8864968131039682,0.7430779247481324,0.7031303543280104,0.7931430333767391
EOS-3-41808,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)ccn1,ARDIUUHOXINQAD-UHFFFAOYSA-N,3,1,0.451,75,183,447.861,4.345,5,0.357,0.63,1.0,0.7258155712425468,0.6704475361524227,0.743086491672949,0.7196816530738126,0.7147578130354328
EOS-3-41809,Fc1cc(-c2nnc3cncc(OCc4cc(-c5cccnc5)ncn4)n23)ccc1C(F)F,DLVJEBUITTZQGV-UHFFFAOYSA-N,3,1,0.522,27,675,449.396,4.299,5,0.382,0.61,1.0,0.7788277020080872,0.8425998903433624,0.9188969227606059,0.8769875265574669,0.8543280104173805
EOS-3-41810,FC(F)c1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)cs1,OHGRLMIGFIWQMC-UHFFFAOYSA-N,3,1,0.446,27,617,472.868,4.27,5,0.361,0.72,1.0,0.5352528956205881,0.7232797614968131,0.48200089096018095,0.4581591391953944,0.5496731718182442
EOS-3-41811,Fc1c(CCOc2cncc3nnc(-c4cncnc4-c4ccnnc4)n23)ccnc1Cl,UMPIVCYJQGAVEI-UHFFFAOYSA-N,3,1,0.484,65,904,449.837,2.847,5,0.36,0.58,1.0,0.6833493249263245,0.7232883284216298,0.4645757658830786,0.49789253649509974,0.5922764889315332
EOS-3-41812,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cc(Cl)[nH]n5)c(F)n4)n23)c1F,BUAXJOLUVSEVOJ-UHFFFAOYSA-N,3,1,0.38,46,223,454.828,3.79,5,0.402,0.57,1.0,0.7010999931464601,0.6655044205332054,0.6966537591666095,0.6921132890137757,0.6888428654650126
EOS-3-41813,Cc1nc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)ccc1F,NXRZMVXDWDXSGU-UHFFFAOYSA-N,3,1,0.461,46,949,414.404,3.065,5,0.432,0.68,1.0,0.5557449797820574,0.4816325131930642,0.3289270783359605,0.272488177643753,0.40969818723870877
EOS-3-41814,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(F)c1,ZJZLEJLLGGEIFC-UHFFFAOYSA-N,3,1,0.469,26,589,463.904,4.484,5,0.354,0.66,1.0,0.7319666232609142,0.6999777259954767,0.652851072578987,0.660098690973888,0.6862235282023165
EOS-3-41815,CCc1ccc(-c2nnc3cncc(Cc4cccc(-c5ncc(F)cn5)n4)n23)cn1,WKGGKIGHAUKZQJ-UHFFFAOYSA-N,3,1,0.357,85,260,412.432,3.331,5,0.437,0.69,1.0,0.3066273730381742,0.3487852100609965,0.21309368788979507,0.20793639915016107,0.26911066753478174
EOS-3-41816,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)nn1,IZHSQZZMENQHLI-UHFFFAOYSA-N,3,1,0.483,92,185,419.836,2.609,5,0.4,0.61,1.0,0.28258858200260434,0.5365550681927216,0.29958536083887327,0.30267802069769034,0.35535175793297236
EOS-3-41817,Cn1nc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cc1-c1cnc(-c2cncs2)nc1,VHCPBXONOYHUFH-UHFFFAOYSA-N,3,1,0.371,42,106,480.517,2.871,6,0.397,0.64,1.0,0.12970324172435063,0.09163182783907889,0.13223048454526762,0.09057809608662874,0.11103591254883148
EOS-3-41818,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ncc(C)cn1,FTWQJDZLENLQCH-UHFFFAOYSA-N,3,1,0.426,46,717,458.913,4.142,5,0.374,0.62,0.899,0.5866458775957782,0.5318689603180042,0.22005003084092933,0.22848845178534713,0.3917633301350148
EOS-3-41819,CC#Cc1cncc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,QOBFKHHHCWQVNB-UHFFFAOYSA-N,3,1,0.659,91,660,466.932,4.895,5,0.331,0.75,1.0,0.9725944075114796,0.9839027482694812,0.7825371804537044,0.7616167500514015,0.8751627715715167
EOS-3-41820,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(-c6nncn6C)on5)n34)c2)cn1,XUSNNRCXDNUWNQ-UHFFFAOYSA-N,3,1,0.439,71,415,466.465,2.919,6,0.36,0.62,1.0,0.2743814680282366,0.18110479062435747,0.10169796449866356,0.08159139195394421,0.15969390377630044
EOS-3-41821,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)nc(F)c5)n34)c2)cn1,DOEFARVZFTVHBD-UHFFFAOYSA-N,3,1,0.473,97,55,447.405,2.993,5,0.396,0.56,1.0,0.6773953121787403,0.5644404084709752,0.7328575834418477,0.6601072578987047,0.658700140497567
EOS-3-41822,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(C)c5ccccc5)cn4)n23)nc1,LKDMZEOZZJTHII-UHFFFAOYSA-N,3,1,0.296,76,387,474.532,3.765,6,0.371,0.65,1.0,0.09558974710437941,0.07514049756699336,0.4435011308340758,0.36955143581659927,0.24594570283051193
EOS-3-41823,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(C)n2)n(C)n1,RLDXARPSRZNBKH-UHFFFAOYSA-N,3,1,0.442,20,658,428.46,2.01,5,0.4,0.55,0.999,0.2964412994311562,0.16026146254540471,0.01247344253306833,0.0062624220409841684,0.11885965663765334
EOS-3-41824,Clc1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,MEVGNKUXDOITBU-UHFFFAOYSA-N,3,1,0.38,69,641,462.904,5.026,6,0.362,0.71,1.0,0.25853265711740114,0.419950654513056,0.6233979850592831,0.7434463025152491,0.5113318998012473
EOS-3-41825,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ncc(Cl)cn5)c4)n23)c(F)c1F,PJHCIUIITJBBNR-UHFFFAOYSA-N,3,1,0.5,2,491,469.814,4.293,5,0.354,0.7,1.0,0.8734493866081832,0.8890754574737852,0.9208930162428894,0.9204132684531561,0.9009577821945035
EOS-3-41826,Cc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(Cl)c4)n23)cc(CF)n1,JQSUSWSEFDGTOR-UHFFFAOYSA-N,3,1,0.524,90,555,419.247,4.245,4,0.451,0.62,1.0,0.764546638338702,0.6802223973682407,0.7710232335001028,0.7833596052361045,0.7497879686107876
EOS-3-41827,CCc1nc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)ncc1-c1cnccn1,WFDRGKLWWCCGDV-UHFFFAOYSA-N,3,1,0.473,7,535,479.426,3.594,5,0.36,0.68,1.0,0.6555667877458707,0.4775289562058803,0.6085086697279145,0.4297340826536906,0.542834624083339
EOS-3-41828,FC(F)(F)c1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,ATJWYGGVDIAPEN-UHFFFAOYSA-N,3,1,0.686,68,900,406.755,3.833,4,0.512,0.82,1.0,0.984348228359948,0.9792680419436639,0.9432441230895757,0.8949009663491193,0.9504403399355768
EOS-3-41829,Clc1ccc(-c2nnc3cncc(OCc4cc(CSc5ccccn5)ncn4)n23)nc1,PCEZNQMFXIBNBN-UHFFFAOYSA-N,3,1,0.466,46,267,462.926,3.896,5,0.333,0.68,0.999,0.46712014255362894,0.6221129463367829,0.3033291069837571,0.3309660064423275,0.4308820505791241
EOS-3-41830,CCc1csc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cnn2)n1,QWLPTXIKXIONQX-UHFFFAOYSA-N,3,1,0.523,59,391,467.917,4.639,5,0.359,0.77,0.998,0.7645552052635186,0.8967257213350696,0.46824240970461245,0.5149235830306353,0.661111729833459
EOS-3-41831,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)c(Cl)n1,OHTWXJJPVUEXPH-UHFFFAOYSA-N,3,1,0.441,18,384,461.888,4.366,5,0.347,0.67,1.0,0.8224504831745597,0.842608457268179,0.6692738674525393,0.6687855527379891,0.7507795901583167
EOS-3-41832,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)ncn1,ZQDDDJOFVDWXSQ-UHFFFAOYSA-N,3,1,0.556,11,669,461.888,4.366,5,0.347,0.66,1.0,0.8867623877732849,0.8673069015146323,0.7404478788294154,0.722251730518813,0.8041922246590364
EOS-3-41833,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccc2C)cn1,HYWAEERYPXJFEL-UHFFFAOYSA-N,3,1,0.506,59,630,462.435,4.861,5,0.347,0.74,1.0,0.883018641628401,0.8785809745733671,0.9344287574532246,0.8921595504077856,0.8970469810156946
EOS-3-41834,Fc1cc(Cl)cnc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)cn4)n[nH]3)n12,GPOUEDZGKCPYSA-UHFFFAOYSA-N,3,1,0.389,73,963,471.283,4.039,5,0.398,0.65,0.999,0.5955126447810294,0.5091751764786512,0.5833133438420944,0.7058803371941608,0.5984703755739839
EOS-3-41835,Cc1cnc(-c2ccc(F)c(-c3nnc4cncc(COc5cc(C)c(Cl)cn5)n34)c2)cn1,GZNCCVQTJSPLIP-UHFFFAOYSA-N,3,1,0.362,85,767,461.888,4.632,5,0.376,0.69,1.0,0.49961448838324996,0.6314680282365842,0.719878692344596,0.6746110616133233,0.6313930676444384
EOS-3-41836,CCc1nn(C2CC2)cc1-c1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)nn3C)n12,XGUJJTDMYVYHAV-UHFFFAOYSA-N,3,1,0.264,50,974,445.918,4.001,6,0.38,0.66,0.701,0.030009937632787333,0.10778048111849771,0.030815228565554107,0.10904838599136454,0.06941350832705093
EOS-3-41837,COc1cnc(-c2cnn(C)c2)cc1-c1cncc2nnc(-c3cnc(-c4cccc(F)c4)nc3)n12,AFMDBQPCRYQKHB-UHFFFAOYSA-N,3,1,0.368,42,106,479.479,3.859,6,0.367,0.72,1.0,0.2507453224590501,0.3389418134466452,0.5235761770954698,0.44865841957370983,0.3904804331437187
EOS-3-41838,Fc1cccc(-c2nnc(Cc3cncc4nnc(-c5ccc(Cl)nc5)n34)cc2Cl)c1,WJPAMOQQTJHZKY-UHFFFAOYSA-N,3,1,0.394,14,358,452.28,4.68,5,0.369,0.65,0.999,0.3715389623740662,0.5411126721951888,0.7616081831265848,0.8839695702830512,0.6395573469947228
EOS-3-41839,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cnn2)c1,FGBPFXUNYRCGMY-UHFFFAOYSA-N,3,1,0.484,65,778,432.394,2.938,5,0.377,0.55,1.0,0.8119388664245083,0.7373466520457816,0.6234065519840998,0.6225669933520663,0.6988147659516141
EOS-3-41840,Fc1cnnc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)c1,KZVJRLAJYWAXTO-UHFFFAOYSA-N,3,1,0.374,18,88,449.837,2.847,5,0.385,0.5,1.0,0.5668734151189089,0.560165512987458,0.2995939277636899,0.37932629703241727,0.45148978822561847
EOS-3-41841,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(-c6nn[nH]n6)nn5C)n34)ccn2)nn1,OBDMLRDITNLNON-UHFFFAOYSA-N,3,1,0.4,53,587,467.457,1.444,6,0.377,0.57,0.913,0.2233140291960798,0.18947467617024194,0.027491261736687,0.017536495099719007,0.11445411555068193
EOS-3-41842,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cncs4)n23)cc1,ZSVDUYGANWEWQJ-UHFFFAOYSA-N,3,1,0.286,42,339,437.492,3.772,6,0.414,0.52,1.0,0.046741141799739566,0.08214824206702762,0.2415358782811322,0.27566650675073673,0.16152294222465902
EOS-3-41843,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)c(C(F)F)c5)c4)n23)n(C)n1,JPWRAFDNSHBLJN-UHFFFAOYSA-N,3,1,0.452,27,677,465.439,4.551,5,0.366,0.72,1.0,0.46489274210129533,0.5506647933657735,0.8664673428825989,0.7925947501884724,0.668654907134535
EOS-3-41844,Cn1nc(-c2nnc3cncc(OCCc4cc(F)ncc4F)n23)cc1-c1cccc(Cl)c1,QKZYIONZZPXACU-UHFFFAOYSA-N,3,1,0.5,95,266,467.867,4.14,5,0.349,0.7,1.0,0.532699952025221,0.5411212391200055,0.7478582687958331,0.794950654513056,0.6541575286135288
EOS-3-41845,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)ncn2)nc1,YXLYRZUTQFZLPC-UHFFFAOYSA-N,3,1,0.565,44,481,465.851,4.196,5,0.371,0.62,0.999,0.8830272085532177,0.797169488040573,0.8209855390309094,0.8462579672400795,0.836860050716195
EOS-3-41846,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6F)cc5)n34)n(C)n2)o1,QZFGRCFJAQMIKP-UHFFFAOYSA-N,3,1,0.388,52,310,475.444,2.516,6,0.392,0.58,1.0,0.45775649372901106,0.28960489342745527,0.18557672537865808,0.10905695291618121,0.26049876636282643
EOS-3-41847,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,TVADXBRHLTXLMS-UHFFFAOYSA-N,3,1,0.545,11,275,446.873,4.662,5,0.377,0.65,0.997,0.8991244602837366,0.9235316290864232,0.7223888013158797,0.7903159481872387,0.8338402097183195
EOS-3-41848,Clc1cnnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)c1,FJQXXZZARGVKJG-UHFFFAOYSA-N,3,1,0.511,65,393,465.304,3.967,5,0.347,0.64,1.0,0.7616167500514015,0.8585515043519978,0.5864745390994449,0.6658984990747722,0.7181353231444041
EOS-3-41849,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)nn1,NHPPOLIAGIWYTO-UHFFFAOYSA-N,3,1,0.452,2,875,448.849,3.718,5,0.375,0.58,1.0,0.6893290384483586,0.6510862860667535,0.6443098485367692,0.6198598451099994,0.6511462545404701
EOS-3-41850,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c(F)c(C)n1,HXJSDBJLRRLEEQ-UHFFFAOYSA-N,3,1,0.389,46,157,461.888,4.632,5,0.352,0.72,1.0,0.6650332396682886,0.6177266808306491,0.7198872592694127,0.6776437529984237,0.6700727331916936
EOS-3-41851,Cc1nn(C)cc1-c1cccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)c1,QKCOMHWMQIWWMP-UHFFFAOYSA-N,3,1,0.529,43,630,450.424,4.497,5,0.369,0.66,0.994,0.5698461380302926,0.5737612226715099,0.919873552189706,0.8854773490507847,0.7372395654855732
EOS-3-41852,Fc1nc(-c2nnc3cncc(OCCc4nnc(Cl)o4)n23)ccc1-c1ccccn1,GWSHXAVPBXKFGV-UHFFFAOYSA-N,3,1,0.467,58,237,438.81,3.045,5,0.368,0.59,0.997,0.6407203070385854,0.5091837434034678,0.15353642656432048,0.2312898362003975,0.3836825783016928
EOS-3-41853,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(C)nn5)cn4)n23)cn1,PCGXUHSMSQAMNS-UHFFFAOYSA-N,3,1,0.453,7,617,411.429,2.629,5,0.43,0.72,1.0,0.40931053389075456,0.34879377698581315,0.13847577273661846,0.08860770337879514,0.24629694674799535
EOS-3-41854,CCn1c(C)nnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n(C)n1,DYDWMRTVHXFYTN-UHFFFAOYSA-N,3,1,0.457,36,292,453.869,3.696,5,0.4,0.61,0.996,0.3985847440202865,0.6655129874580221,0.10170653142348023,0.17686416284010692,0.3356671064354739
EOS-3-41855,Cc1onc(COc2cncc3nnc(-c4cncc(-c5cnc(CO)cn5)c4)n23)c1Cl,SYMPDOFCSBQGGB-UHFFFAOYSA-N,3,1,0.426,7,858,450.846,2.664,5,0.41,0.59,1.0,0.4671287094784456,0.4729113837296964,0.2096497841134946,0.2020166541018436,0.33792663285587005
EOS-3-41856,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ccn2)n1,POAGYVWXXPANHP-UHFFFAOYSA-N,3,1,0.531,65,359,417.458,2.425,5,0.41,0.65,1.0,0.5277825371804538,0.33389589472962783,0.03879103556987184,0.03568124186142142,0.23403767733534372
EOS-3-41857,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncnc(-c5ccccc5)n4)n23)n1,FISMUBYRSHDACX-UHFFFAOYSA-N,3,1,0.321,64,136,464.88,3.816,6,0.358,0.62,0.726,0.17889452402165718,0.2637242135563018,0.1322390514700843,0.24309505859776576,0.20448821191145228
EOS-3-41858,Fc1cnc(F)c(-c2cncc(-c3nnc4cncc(Cc5cncc(-c6nnco6)c5)n34)c2)c1,FGNOOLNFGMYFHE-UHFFFAOYSA-N,3,1,0.299,2,419,469.415,3.562,6,0.349,0.62,1.0,0.29644986635597287,0.34880234391062986,0.6381502295935851,0.6342094441779179,0.47940297100952645
EOS-3-41860,Cn1cnc(-c2ccnc(F)n2)c1-c1cncc2nnc(-c3nccnc3-c3ccccc3)n12,VCSWTUMZYJECMY-UHFFFAOYSA-N,3,1,0.271,39,365,450.441,3.245,6,0.376,0.56,0.302,0.14319614831060243,0.16027002947022137,0.13518607360701804,0.19609690905352614,0.158687290110342
EOS-3-41861,Cn1c(-c2nccnc2-c2cncc3nnc(-c4ccc(C(C)(C)O)cc4)n23)noc1=O,SXZKGZRNOWYUSA-UHFFFAOYSA-N,3,1,0.346,74,333,430.428,1.829,5,0.452,0.57,0.96,0.25329826605441713,0.14875608251661984,0.14723116989925297,0.10262319237886368,0.1629771777122884
EOS-3-41862,COc1ncc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)cc1-c1ncccc1F,IJGUISAOCQQAAO-UHFFFAOYSA-N,3,1,0.432,92,662,446.446,3.017,5,0.392,0.57,1.0,0.35305153861969707,0.35346275101089714,0.23078438763621412,0.14065177164005208,0.26948761222671513
EOS-3-41863,Cn1c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)n[nH]c1=O,OCWZWOOKWNNNGW-UHFFFAOYSA-N,3,1,0.562,37,669,466.864,2.689,5,0.382,0.61,1.0,0.6206308683434995,0.5940477006373792,0.38151086286066754,0.4486669864985265,0.5112141045850181
EOS-3-41864,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccccc4F)n23)c(F)c1F,SHUKJFOGEWRGKC-UHFFFAOYSA-N,3,1,0.414,22,917,408.347,3.066,5,0.456,0.81,1.0,0.2612655061339182,0.46426735658967855,0.6803766020149408,0.7833681721609211,0.5473194092248647
EOS-3-41865,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ncn4)n23)cn1,UVBVVDTWIWRGSI-UHFFFAOYSA-N,3,1,0.505,44,130,465.851,4.196,5,0.347,0.66,1.0,0.9101158248235214,0.8645140840243986,0.8401925844698787,0.8583373312315811,0.8682899561373449
EOS-3-41866,COc1cc(-c2nnc3cncc(OCc4ncc(-c5ccc(=O)n(C)n5)cn4)n23)ccc1Cl,JMVFWGHSUBMMGS-UHFFFAOYSA-N,3,1,0.441,16,946,476.884,2.583,5,0.363,0.66,1.0,0.5378229730655884,0.6221215132615996,0.2960986224384895,0.2487235282023165,0.42619165924199853
EOS-3-41867,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)ccn1,VSXVOZLRZHIXLV-UHFFFAOYSA-N,3,1,0.542,35,143,454.277,4.165,5,0.352,0.64,1.0,0.7527756836406003,0.7419899252964156,0.5705657597148928,0.6313138235898842,0.6741612980604482
EOS-3-41868,Cc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3nnc(C(F)F)cc3F)n12,ZGVFHODHTQJADS-UHFFFAOYSA-N,3,1,0.426,27,52,465.399,3.397,5,0.372,0.6,0.979,0.5779761496813104,0.6999862929202934,0.42515077787677336,0.3564611746967309,0.514893598793777
EOS-3-41869,COc1c(F)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccccc1,VUZISMQGGLYNFF-UHFFFAOYSA-N,3,1,0.552,91,955,459.456,4.762,5,0.349,0.68,1.0,0.9498749228976766,0.8865053800287849,0.8812281543417175,0.8365088067987115,0.8885293160167227
EOS-3-41870,COc1cc(-c2nnc3cncc(OCc4nc(F)cs4)n23)ccc1-c1cncc(F)c1,LJPLAEPYQQWVOY-UHFFFAOYSA-N,3,1,0.511,97,83,452.446,4.176,5,0.382,0.64,1.0,0.7011085600712769,0.7232968953464465,0.6803851689397574,0.6107789048043314,0.678892382290453
EOS-3-41871,Cn1ccnc1-c1cc(-c2nnc3cncc(COc4c(Cl)cc(F)cc4Cl)n23)[nH]n1,ILTSKGQETMJPJN-UHFFFAOYSA-N,3,1,0.303,73,963,459.272,3.94,5,0.428,0.56,1.0,0.30414296484134057,0.2584641217188678,0.6413542594750189,0.7088787608799945,0.4782100267288054
EOS-3-41872,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5nnsc5Cl)n34)c(F)c2)ccn1,LYMGCVKFKYJVMU-UHFFFAOYSA-N,3,1,0.471,4,712,457.853,4.215,5,0.365,0.71,1.0,0.43428311973134126,0.7095641148653279,0.6413628263998356,0.7487834966760332,0.6334983894181345
EOS-3-41873,COc1ncc(-c2nnc3cncc(Cc4cnc(CO)nc4)n23)cc1-c1ccc(F)c(Cl)c1,BIOKRYWVNBABLP-UHFFFAOYSA-N,3,1,0.349,85,81,477.887,3.528,5,0.395,0.65,0.999,0.6040281680487972,0.6460060996504695,0.6443184154615859,0.6107874717291482,0.6262850387225001
EOS-3-41874,Cc1cc(F)c(-c2nnn(C)n2)cc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,WMFSDFJLHUHBIH-UHFFFAOYSA-N,3,1,0.477,36,258,451.853,3.057,5,0.375,0.59,1.0,0.5277911041052704,0.7141816873415119,0.41762045096292233,0.4454715235419094,0.5262661914879035
EOS-3-41875,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)c2)nn1,MZJQKEKITJPYPW-UHFFFAOYSA-N,3,1,0.549,15,460,413.445,2.307,5,0.417,0.68,1.0,0.40931910081557127,0.2739445548625865,0.12640497566993353,0.092479953395929,0.22553714618600504
EOS-3-41876,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4nccnc4-c4cc(F)cc(Cl)c4)n23)cc1,CGUBZFXYZYTBCI-UHFFFAOYSA-N,3,1,0.305,62,961,485.91,4.6,6,0.39,0.88,1.0,0.1652388458638887,0.21773696114042904,0.4285261462545405,0.6077462134192311,0.35481204166952235
EOS-3-41877,Cc1nc(-c2cc(C#N)ccn2)c(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)s1,ACQUYYFXBVYTMN-UHFFFAOYSA-N,3,1,0.396,51,196,461.898,3.512,5,0.386,0.62,0.332,0.5277996710300871,0.4685336851483791,0.13848433966143514,0.20202522102666026,0.33421072921664036
EOS-3-41878,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)ccc2Cl)cn1,WIFRHHWYZFMRHW-UHFFFAOYSA-N,3,1,0.517,59,607,480.862,4.251,5,0.388,0.77,1.0,0.8734579535329998,0.9480587348365431,0.9255191556438901,0.9256133918168734,0.9181623089575767
EOS-3-41879,Fc1cccc(-c2ncnc(-c3cncc4nnc(-c5ccccc5-c5ccccc5)n34)n2)c1,NWGGSCSFOBKQIU-UHFFFAOYSA-N,3,1,0.416,93,757,445.461,5.116,6,0.375,0.7,1.0,0.27439003495305325,0.4379411966280584,0.6349119320128846,0.7358131725035981,0.5207640840243986
EOS-3-41880,Fc1cnc(-c2[nH]cnc2-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)nc1,XIZPZBOHGDMSDP-UHFFFAOYSA-N,3,1,0.398,46,775,423.799,2.738,5,0.428,0.58,0.948,0.5534062093071072,0.4244397231169899,0.3068501130834076,0.3760023302035501,0.4151745939277637
EOS-3-41881,Cc1cc(-c2ncc(F)cc2F)ncc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12,YGGFDIMNYFMVQN-UHFFFAOYSA-N,3,1,0.316,82,204,484.47,3.789,6,0.404,0.72,0.998,0.24518538825303268,0.28440477006373793,0.2778425056541704,0.35977657460078133,0.2918023096429306
EOS-3-41882,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5cccc(C(F)(F)F)n5)n34)c2)o1,ZZYPPBADVZXEDV-UHFFFAOYSA-N,3,1,0.438,87,207,468.399,3.58,5,0.368,0.6,1.0,0.5403245151120554,0.48164108011788087,0.7170944417791789,0.5114197107806182,0.5626199369474334
EOS-3-41883,Fc1cnsc1COc1cncc2nnc(-c3cc(-c4ncc(Cl)cn4)ccn3)n12,KVSGULCLFFHCSB-UHFFFAOYSA-N,3,1,0.43,73,949,440.851,3.471,5,0.409,0.6,1.0,0.6206394352683161,0.5601740799122746,0.2699952025221027,0.35327427866493044,0.4510207490919059
EOS-3-41884,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3ncc(Cl)cn3)n12,ONKMPNGOAXMFQE-UHFFFAOYSA-N,3,1,0.441,65,456,463.889,2.66,5,0.359,0.57,0.999,0.5070420121993009,0.4244482900418066,0.09211157562881228,0.07241621547529299,0.2740045233363032
EOS-3-41885,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)c1,VXUOXMZNCURPSE-UHFFFAOYSA-N,3,1,0.542,36,895,410.401,1.827,5,0.425,0.77,1.0,0.5925913234185457,0.43794976355287507,0.25562846960455077,0.2669539442121856,0.38828087519703924
EOS-3-41886,Cc1nccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)n1,SSCZYIICQZXAIN-UHFFFAOYSA-N,3,1,0.293,42,762,461.489,4.145,6,0.377,0.63,1.0,0.24519395517784937,0.09482729079569598,0.29960249468850664,0.20503221163731067,0.21116398807484066
EOS-3-41887,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)nc1,VWLUSIINLQHKQB-UHFFFAOYSA-N,3,1,0.333,30,664,468.883,4.894,6,0.342,0.76,0.919,0.008815365636351175,0.1940065793982592,0.7430950585977657,0.822467617024193,0.44209615516414225
EOS-3-41888,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cn2)cc1=O,GIYFIUKESDPTDA-UHFFFAOYSA-N,3,1,0.444,58,579,461.873,2.012,5,0.349,0.62,1.0,0.49693304091563295,0.47291995065451303,0.1351946405318347,0.13594852991570147,0.31024904050442054
EOS-3-41889,Cc1nc(-c2nccn2C)c(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)n1C,LUTINFGJMIVJGF-UHFFFAOYSA-N,3,1,0.506,36,446,469.336,4.12,5,0.385,0.67,1.0,0.4508686861764101,0.5893101912137619,0.20244500034267698,0.3214224521965595,0.3910115824823521
EOS-3-41890,O=C(NC1CCC1)c1ccc(-c2cncc3nnc(-c4cnc(Cl)nc4)n23)cn1,HWJHIASDRNOGKV-UHFFFAOYSA-N,3,1,0.318,63,66,406.837,2.579,5,0.518,0.79,1.0,0.215004112123912,0.2637327804811185,0.02233397299705298,0.08159995887876088,0.1456677061202111
EOS-3-41891,Cc1nnc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)cc1F,XTPQHGGGUNIOOW-UHFFFAOYSA-N,3,1,0.494,2,422,414.404,3.065,5,0.432,0.69,1.0,0.5610907408676582,0.5002827085189501,0.34358508669727916,0.32437804125830993,0.43233414433554934
EOS-3-41892,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccc5F)cc4)n23)cn1,ZLDJTRZRSJDCCK-UHFFFAOYSA-N,3,1,0.53,1,230,412.428,4.275,5,0.429,0.8,1.0,0.8646768555959153,0.817207525186759,0.754823178671784,0.7031389212528271,0.7849616201768214
EOS-3-41893,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)ncn1,HDZBJRNZOOUIEL-UHFFFAOYSA-N,3,1,0.48,87,578,444.886,3.622,5,0.366,0.58,1.0,0.7165375916660955,0.69999485984511,0.48902576930984853,0.45492940853951064,0.5901219073401411
EOS-3-41894,COc1cc(-c2nnc3cncc(COc4cccnc4F)n23)c(F)cc1-c1nncc(C)n1,DABLGWJZTCYTSQ-UHFFFAOYSA-N,3,1,0.358,85,767,462.42,3.213,5,0.351,0.61,1.0,0.5806404632992941,0.5411298060448222,0.4890343362346652,0.3793348639572339,0.4975348673840039
EOS-3-41895,Cc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cnc1-c1cnccn1,FARAWKNVURDSFL-UHFFFAOYSA-N,3,1,0.523,55,540,464.316,4.838,5,0.368,0.72,1.0,0.7702093756425193,0.8865139469536015,0.7092642724967446,0.7563737920636009,0.7805903467891165
EOS-3-41896,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)s4)n23)c1,AHMKDZAJAWJMMS-UHFFFAOYSA-N,3,1,0.318,64,449,452.478,4.573,6,0.387,0.66,0.983,0.18466863134809128,0.31492872318552534,0.4645843328078953,0.5546141457062573,0.37969895826194233
EOS-3-41897,Cc1csc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ncn4)n23)n1,FUBASKQEUQVQGO-UHFFFAOYSA-N,3,1,0.44,44,488,453.89,4.385,5,0.39,0.71,0.998,0.5508532657117401,0.608106024261531,0.5026643136179837,0.554622712631074,0.5540615790555822
EOS-3-41898,CCn1ncnc1-c1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)c(Cl)cn1,OXXWJUUPIXCSCM-UHFFFAOYSA-N,3,1,0.463,65,359,465.88,3.274,5,0.36,0.6,0.999,0.47468473716674664,0.5182047152354191,0.20606880954012746,0.2934343088205058,0.37309814269069974
EOS-3-41899,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccn2)c1,WBEGAZUGUYHVHW-UHFFFAOYSA-N,3,1,0.517,75,265,465.851,4.196,5,0.371,0.61,1.0,0.9264957850729902,0.8988931533136865,0.8449900623672126,0.8631519429785485,0.8833827359331093
EOS-3-41900,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)c1,XLPQTFLKYQCTIH-UHFFFAOYSA-N,3,1,0.5,37,132,465.851,4.196,5,0.371,0.61,1.0,0.9265043519978069,0.9365019532588582,0.7502655746693166,0.8077839078884244,0.8552639469536016
EOS-3-41901,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nc1C,BTRYUEOLTKWNQK-UHFFFAOYSA-N,3,1,0.51,58,578,472.94,4.238,5,0.338,0.74,1.0,0.7583955863203344,0.8093602220546913,0.18870365293674182,0.17421698307175656,0.482669111095881
EOS-3-41902,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)s4)n23)cn1,OJINMAVHKHMKOG-UHFFFAOYSA-N,3,1,0.244,86,953,465.506,3.236,6,0.382,0.57,0.928,0.06726749366047563,0.0715338222191762,0.04017887739017202,0.03772016996778836,0.054175090809403054
EOS-3-41903,OCc1cncc(-c2ccc(-c3nnc4cncc(C(O)c5cccnc5)n34)c(F)c2)n1,YOZUSTXULLQTCB-UHFFFAOYSA-N,3,1,0.33,14,81,429.415,2.356,5,0.437,0.5,1.0,0.41379103556987185,0.5091923103282846,0.8035261462545404,0.7358217394284148,0.6155828078952779
EOS-3-41904,Fc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4ncccn4)c3)n12,PCRLPNHPLGRUKC-UHFFFAOYSA-N,3,1,0.536,2,131,414.404,2.799,5,0.418,0.66,1.0,0.7957388115961894,0.7141902542663285,0.41373963402097186,0.39196251113700226,0.578907802755123
EOS-3-41905,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nn1,ISIMJMTYELTWIJ-UHFFFAOYSA-N,3,1,0.518,87,142,414.404,2.799,5,0.418,0.66,1.0,0.7011171269960935,0.6607754780344047,0.45428688917826054,0.4233517236652731,0.559882804468508
EOS-3-41906,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(C#N)c(Cl)c5)n4)n23)cn1,UMGLVAFMBPURHD-UHFFFAOYSA-N,3,1,0.489,4,205,472.871,4.195,5,0.374,0.7,1.0,0.7645637721883353,0.8758395586320334,0.7328661503666644,0.7031474881776437,0.7691042423411691
EOS-3-41907,c1cc(-c2cccs2)nc(-c2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c1,RYKCYYIFHKFUHY-UHFFFAOYSA-N,3,1,0.319,32,368,433.5,5.039,6,0.387,0.7,0.999,0.0835874854362278,0.19861558494962647,0.4922554999657323,0.5181790144609691,0.32315939620313894
EOS-3-41908,OCc1ccc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)cn1,BPRGUFFXSPVCIH-UHFFFAOYSA-N,3,1,0.494,18,949,412.413,2.11,5,0.446,0.73,1.0,0.41830580494825575,0.20796209992461107,0.26643136179836885,0.19085395106572545,0.2708883044342403
EOS-3-41909,Clc1cc(COc2cncc3nnc(-c4cnnc(-c5ccccn5)c4)n23)ccn1,KXGIDHGTDWVVMZ-UHFFFAOYSA-N,3,1,0.429,24,565,416.832,3.271,5,0.402,0.65,1.0,0.609425330683298,0.5940562675621959,0.4576622575560277,0.4886916592419985,0.5374588787608799
EOS-3-41910,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NCc5ccccc5)cn4)n23)c1,DESOLSVNVMGXQH-UHFFFAOYSA-N,3,1,0.327,30,791,488.515,2.974,6,0.379,0.81,1.0,0.17890309094647386,0.08871050647659516,0.15654341717497086,0.14298197519018574,0.1417847474470564
EOS-3-41911,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cnn2)c(F)n1,MRWRCGDYUMCWRH-UHFFFAOYSA-N,3,1,0.424,55,283,453.8,2.944,5,0.37,0.57,0.624,0.8324052498115276,0.9080854636419711,0.49226406689054897,0.5479490781988897,0.6951759646357344
EOS-3-41912,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)cn1,VXBSBCJPQMGJJM-UHFFFAOYSA-N,3,1,0.359,93,774,464.92,4.969,6,0.366,0.74,1.0,0.19310705229250907,0.3202573504214927,0.6319563429511342,0.727460420807347,0.4681952916181208
EOS-3-41913,Cc1nc(F)cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)c(C)n4)n23)n1,VXWAEUBQBBBDHC-UHFFFAOYSA-N,3,1,0.419,53,122,429.419,2.768,5,0.389,0.56,1.0,0.47217462819546296,0.48623295181961484,0.16935953670070591,0.12937769858131726,0.31428620382427525
EOS-3-41915,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)c1,JIYZSNOYLOUIMY-UHFFFAOYSA-N,3,1,0.464,87,307,449.396,3.682,5,0.391,0.56,0.999,0.811947433349325,0.7971780549653896,0.7802155438283873,0.792603317113289,0.7954860873140978
EOS-3-41916,Cc1ncc(-c2cnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)s1,UVOHRFOIXKBWAB-UHFFFAOYSA-N,3,1,0.456,18,578,434.46,3.169,5,0.376,0.57,1.0,0.5806490302241107,0.5844099102186279,0.21310225481461176,0.19610547597834282,0.39356666780892324
EOS-3-41917,Fc1cncc(-c2csc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)n2)c1,VWTVYSCLFWTVBD-UHFFFAOYSA-N,3,1,0.651,1,996,470.436,4.629,5,0.343,0.82,1.0,0.8170104859159756,0.9162240422178055,0.8576091426221644,0.8284901651703105,0.854833458981564
EOS-3-41918,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)c(-c2ccc(F)nc2)n1,HMXCJBGPLHFCOL-UHFFFAOYSA-N,3,1,0.321,42,762,463.48,4.158,6,0.362,0.63,1.0,0.31192173257487493,0.2844133369885546,0.4748989102871633,0.4360650400932081,0.37682475498595025
EOS-3-41919,Cn1nc(-c2nnc3cncc(Oc4ncccc4Cl)n23)cc1-c1ccc(F)nn1,RNRKGZXONXWFED-UHFFFAOYSA-N,3,1,0.341,53,956,423.799,2.962,5,0.434,0.56,0.971,0.4093276677403879,0.4379583304776917,0.24154444520594887,0.30927455280652455,0.34952624905763824
EOS-3-41920,Clc1cnc(COc2cncc3nnc(-c4cccnc4-c4ccccc4Cl)n23)cn1,JSRVBEUWNGGANA-UHFFFAOYSA-N,3,1,0.506,97,401,450.289,4.529,5,0.389,0.64,1.0,0.5508618326365567,0.6802309642930574,0.620459529847166,0.7330717565622644,0.6461560208347612
EOS-3-41921,Cc1ccc(-c2nnc3cncc(OCc4cncnc4CCc4ccnc(Cl)c4)n23)cc1,GEFFTIQELSZBDM-UHFFFAOYSA-N,3,1,0.479,89,731,457.925,4.302,5,0.336,0.69,1.0,0.8145003769446919,0.6899801247344254,0.5133130011651018,0.5114282777054349,0.6323054451374135
EOS-3-41922,N#Cc1ccc(-c2nc(F)ccc2-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)cc1,CSJOEMAGAZODQU-UHFFFAOYSA-N,3,1,0.379,30,298,459.448,4.112,6,0.365,0.61,0.997,0.048291755191556436,0.2281714755671304,0.6557038585429374,0.7196902199986293,0.4129643273250634
EOS-3-41923,Cn1nc(-c2nnc3cncc(OCCc4ncsc4Cl)n23)cc1-c1ccc(F)c(F)c1,FGZYZZBIKWQRTQ-UHFFFAOYSA-N,3,1,0.462,95,998,473.896,4.201,5,0.367,0.72,0.999,0.5327085189500377,0.5002912754437667,0.5235847440202864,0.6281611952573504,0.5461864334178602
EOS-3-41924,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccc(F)n5)c4)n23)c(Cl)c1,VLURVFNAAIEVHD-UHFFFAOYSA-N,3,1,0.631,11,732,464.863,4.801,5,0.336,0.74,1.0,0.9315845384140908,0.9288516893975739,0.8871307655404016,0.9014118292097869,0.9122447056404633
EOS-3-41925,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnn5)n34)c(Cl)n2)nc1,YECHKZKBRMGSGS-UHFFFAOYSA-N,3,1,0.483,58,24,449.837,2.847,5,0.36,0.55,1.0,0.7817747241450209,0.82494345829621,0.27785107257898706,0.37601089712836683,0.5651450380371462
EOS-3-41926,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)cn1,JZONSHFSVJJVNI-UHFFFAOYSA-N,3,1,0.44,55,45,421.371,2.234,5,0.398,0.59,1.0,0.595521211705846,0.5092008772531013,0.39239942430265234,0.3663988074840655,0.46588008018641625
EOS-3-41927,Cc1nccc(-c2cccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c2)n1,CIPSTZDFPWYXSZ-UHFFFAOYSA-N,3,1,0.368,62,3,407.437,3.323,5,0.489,0.81,1.0,0.15705743266397093,0.024261531080803235,0.4359708039202248,0.33739976697964497,0.238672383661161
EOS-3-41929,Cc1cnsc1COc1cncc2nnc(-c3cccc(-c4ncn(C5COC5)n4)c3)n12,ROGOIHQDIACIBN-UHFFFAOYSA-N,3,1,0.461,15,931,446.496,2.965,6,0.392,0.61,0.98,0.22332259612089644,0.2177455280652457,0.03604961962853814,0.043956891234322525,0.13026865876225072
EOS-3-41930,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ncc(C)o5)nnc4C)n23)cn1,KQNLSTKWAIFDOY-UHFFFAOYSA-N,3,1,0.438,92,986,415.417,2.531,5,0.422,0.64,1.0,0.3669642245219656,0.16430505105887191,0.04460797752038928,0.019978068672469332,0.148963830443424
EOS-3-41931,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(C)n5)n34)nc(C)n2)cn1,IFYCBVCMACLCGE-UHFFFAOYSA-N,3,1,0.387,31,330,440.471,2.375,5,0.388,0.54,1.0,0.43002535809745734,0.1526797340826537,0.02749982866150367,0.014024055924885204,0.15605724419162498
EOS-3-41932,Cc1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1-c1ccnn1C,OOXLWNUPSPWKNF-UHFFFAOYSA-N,3,1,0.433,31,954,464.892,3.704,5,0.353,0.64,0.966,0.5610993077924749,0.5690237132478926,0.4033736549928038,0.3889212528270852,0.4806044822150641
EOS-3-41933,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)cc(Cl)n2)s1,XPOPOCXXAMBZCT-UHFFFAOYSA-N,3,1,0.478,65,361,450.915,3.683,5,0.361,0.59,1.0,0.6981958056336097,0.7464447262010828,0.23079295456103077,0.2457422383661161,0.4802939311904598
EOS-3-41934,Clc1ccc(-c2nnc3cncc(OCc4ccc(OCc5ccc(Cl)nn5)nn4)n23)cc1,AVGOWIXNGLHHNK-UHFFFAOYSA-N,3,1,0.59,72,208,481.303,3.836,5,0.342,0.73,1.0,0.8536597902816805,0.9512370639435268,0.4611489959564115,0.5213916112672196,0.6968593653622096
EOS-3-41935,Fc1cncc(-c2cc(-c3nnc4cncc(CCc5cncs5)n34)ncn2)c1F,NDIXBDZQKYCSRR-UHFFFAOYSA-N,3,1,0.333,18,580,422.424,3.163,5,0.429,0.58,0.988,0.30143581659927354,0.3292526214789939,0.3587485436227812,0.43287814406140773,0.3555787814406141
EOS-3-41936,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)ncc4-c4cccnc4OC)n23)cc1Cl,FTIPPRDEHMMYND-UHFFFAOYSA-N,3,1,0.302,74,768,486.923,3.64,5,0.399,0.81,1.0,0.39859331094510314,0.3629977383318484,0.30685868000822425,0.21948461380302928,0.3219835857720513
EOS-3-41937,CCCc1cc(-c2cncc3nnc(-c4ccc(Cl)nc4)n23)nc(OC(F)F)n1,KTDLJPWVAFMCTO-UHFFFAOYSA-N,3,1,0.353,68,542,417.807,3.851,4,0.44,0.65,0.844,0.6586680145295045,0.7506168185868001,0.4922726338153656,0.5048146117469673,0.6015930196696594
EOS-3-41938,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)nc5)c4F)n23)cn1,XEOOQKFBGGPSKZ-UHFFFAOYSA-N,3,1,0.494,59,109,449.396,3.948,5,0.375,0.61,1.0,0.905352614625454,0.9010948529915701,0.8893838667671853,0.8386419710780618,0.8836183263655678
EOS-3-41939,COc1cc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,DBOGKEYYKRFMAI-UHFFFAOYSA-N,3,1,0.432,16,565,459.897,4.193,5,0.348,0.67,1.0,0.6586765814543212,0.5893187581385786,0.6290435885134672,0.504823178671784,0.5954655266945378
EOS-3-41940,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)nc2F)ccn1,NJCPMXJGRMJFAJ-UHFFFAOYSA-N,3,1,0.452,18,161,449.396,3.682,5,0.365,0.58,1.0,0.8555445137413474,0.8287643067644438,0.8209941059557261,0.807792474813241,0.8282738503186895
EOS-3-41941,Cn1nc(-c2ncnc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)n2)cc1C#N,BPXLQTIWLNQKOI-UHFFFAOYSA-N,3,1,0.276,86,114,459.437,1.767,6,0.377,0.53,0.122,0.048300322116373105,0.04163525460900555,0.024210129531903227,0.029504489068603933,0.03591254883147146
EOS-3-41942,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)n(C)n1,MMSHWIGKYQINKX-UHFFFAOYSA-N,3,1,0.463,87,838,446.902,3.565,5,0.368,0.61,1.0,0.4508772531012268,0.47753752313069703,0.3068672469330409,0.2964670002056062,0.38293725584264277
EOS-3-41943,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccc4)n23)cc1,GVJOZJCBIILGCH-UHFFFAOYSA-N,3,1,0.494,77,755,466.53,4.289,6,0.361,0.73,1.0,0.4969416078404496,0.314937290110342,0.2344081968336646,0.23129840312521419,0.3193963744774176
EOS-3-41944,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5cccnc5F)n34)ccn2)c(C)n1,NWASXLUDJJHQNV-UHFFFAOYSA-N,3,1,0.409,75,441,414.404,3.587,5,0.411,0.7,1.0,0.7258241381673635,0.6409601809334521,0.3815194297854842,0.29053012130765543,0.5097084675484889
EOS-3-41945,Fc1cc(F)c(-c2cnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cn1,AOHDAGXLCPPGNO-UHFFFAOYSA-N,3,1,0.405,50,243,438.348,3.921,5,0.31,0.69,0.986,0.35790898499074775,0.6265249126173669,0.9045130559934206,0.8839781372078679,0.6932312727023509
EOS-3-41946,Cc1cnc(-c2cccc(-c3nnc4cncc(CCc5ccc(F)c(Cl)c5)n34)c2)cn1,WTCHTRJLTBNSHR-UHFFFAOYSA-N,3,1,0.479,14,886,444.901,5.134,5,0.375,0.74,1.0,0.4746933040915633,0.6031029401685971,0.8228702624905764,0.8406294976355287,0.6853240010965663
EOS-3-41947,N=c1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2Cl)n[nH]1,JSOKPYQNBYAMAF-UHFFFAOYSA-N,3,1,0.57,35,509,445.874,2.726,5,0.41,0.6,1.0,0.9131999177575217,0.8837211294633678,0.35515900212459733,0.3729182372695497,0.6312495716537592
EOS-3-41948,Cc1ncc(-c2cnc(F)c(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c2)cn1,SLZVMBQQZPUTBQ-UHFFFAOYSA-N,3,1,0.427,51,434,449.837,3.113,5,0.294,0.7,1.0,0.8145089438695086,0.7634158042629018,0.5170053457610856,0.4518453156055102,0.6366938523747515
EOS-3-41949,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccn5C)nn4)n23)nc1,HJQZIGNAQSFKSJ-UHFFFAOYSA-N,3,1,0.244,99,14,464.497,2.631,6,0.378,0.61,0.198,0.0529607292166404,0.01962682475498595,0.010854293742718114,0.007907271605784388,0.02283727983003221
EOS-3-41950,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ncn2)nc1,PIGWYDIXZPZKEM-UHFFFAOYSA-N,3,1,0.398,46,842,449.837,3.113,5,0.373,0.54,0.825,0.7407220204235487,0.5791326845315605,0.3739976697964499,0.38243609074086765,0.5190721163731067
EOS-3-41951,Cn1ccnc1-c1cccc(-c2cncc3nnc(-c4ccccc4OC(F)F)n23)n1,ZTSVVHLUFBPBAF-UHFFFAOYSA-N,3,1,0.42,96,121,419.395,3.855,5,0.43,0.65,0.975,0.33691145226509495,0.3202659173463094,0.6750394078541567,0.6342180111027346,0.4916086971420739
EOS-3-41952,FCc1cccc(-c2ncccc2-c2cncc3nnc(-c4cc(C(F)(F)F)ccn4)n23)n1,RHYOOVKZNBHNAU-UHFFFAOYSA-N,3,1,0.284,96,315,451.387,4.799,5,0.365,0.7,0.95,0.4007093413748201,0.4334692618737578,0.9458056336097594,0.9083510383112878,0.6720838187924063
EOS-3-41953,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c(C)noc6C)cn5)n34)cn2)cn1,YGIVUMSDUNZOCT-UHFFFAOYSA-N,3,1,0.333,32,392,460.501,4.891,6,0.366,0.73,0.999,0.10305153861969707,0.08871907340141183,0.36994551435816597,0.28461037625933794,0.21158162565965322
EOS-3-41954,Cc1nc(-c2ccnc(F)c2)cc(-c2nnc3cncc(CCc4ccc5ccccc5n4)n23)n1,FXWKPMYEOAHGBG-UHFFFAOYSA-N,3,1,0.286,28,891,462.492,4.424,6,0.35,0.67,0.996,0.3297066684942773,0.36300630525666505,0.34747447056404634,0.40734870810773766,0.3618840381056816
EOS-3-41955,Fc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc1-c1cncnc1,OLAPPTWZEGQHRU-UHFFFAOYSA-N,3,1,0.394,46,564,452.812,3.549,5,0.373,0.57,1.0,0.857797614968131,0.7506253855116167,0.805496538962374,0.814603180042492,0.8071306798711535
EOS-3-41956,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ncn2)n1,CZIOEHYOWVFWSE-UHFFFAOYSA-N,3,1,0.379,46,488,452.812,3.549,5,0.373,0.57,0.47,0.7227828798574464,0.6409687478582689,0.7092728394215613,0.7274689877321636,0.7001233637173601
EOS-3-41957,Fc1cncc(Cl)c1-c1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,UYWDWLNTCOAPTJ-UHFFFAOYSA-N,3,1,0.681,73,82,468.279,4.668,5,0.37,0.69,1.0,0.9859416763758482,0.9792766088684806,0.8035347131793571,0.8697998766362827,0.9096382187649922
EOS-3-41958,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)cc1Cl,SSEZQHDNRHFMIO-UHFFFAOYSA-N,3,1,0.472,34,207,468.279,4.668,5,0.37,0.69,1.0,0.5981940922486464,0.6948804057295593,0.8664759098074155,0.912805839215955,0.768089061750394
EOS-3-41959,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(O)c5)n34)ncn2)nn1,KKYUGKHSFHYANG-UHFFFAOYSA-N,3,1,0.436,44,481,426.44,2.674,5,0.436,0.54,0.398,0.4721831951202796,0.16431361798368857,0.20245356726749367,0.16622404221780548,0.25129360564731684
EOS-3-41960,Cc1c(F)ccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)n4)n23)c1F,DNHOICYCBZMILM-UHFFFAOYSA-N,3,1,0.415,46,223,451.412,3.892,5,0.377,0.62,0.998,0.6586851483791378,0.6129377698581318,0.7928517579329724,0.730244671372764,0.6986798368857515
EOS-3-41961,C=C1COC(Cn2cc(-c3cncc4nnc(-c5ccc(C(=O)NC)cn5)n34)nn2)C1,UOFWPIJQHYWEPM-UHFFFAOYSA-N,3,1,0.264,63,108,417.433,1.149,5,0.48,0.57,0.997,0.039544924953738604,0.018119045987252416,0.008070043177301076,0.007144815297100953,0.01821970735384826
EOS-3-41962,Cc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc(-c2nccn2C)n1,QEDWSXMASQGIEN-UHFFFAOYSA-N,3,1,0.429,20,279,447.89,2.96,5,0.391,0.56,1.0,0.49439723116989925,0.46427592351449526,0.1152851072578987,0.1184805702145158,0.2981097080392022
EOS-3-41963,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5nccn5C)nc4)n23)cc1F,GUNOVCVIBQQPCT-UHFFFAOYSA-N,3,1,0.386,85,580,413.46,3.82,5,0.438,0.75,1.0,0.3119302994996916,0.33390446165444454,0.4682509766294291,0.4389777945308752,0.38826588307861015
EOS-3-41964,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)nc1,VMHLKTOLZOHZPF-UHFFFAOYSA-N,3,1,0.533,65,262,448.849,3.452,5,0.364,0.57,1.0,0.8774415735727503,0.9302737989171407,0.4820094578849976,0.514932149955452,0.7011642450825851
EOS-3-41965,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)ncn1,FXFCPANWLKECLQ-UHFFFAOYSA-N,3,1,0.457,92,185,429.404,0.45,5,0.4,0.51,1.0,0.3464207388115962,0.1487646494414365,0.016962511137002263,0.006887807552600918,0.12975892673565897
EOS-3-41966,N#Cc1ccc(-c2nnc3cncc(-c4cccnc4-c4cc(F)cc(Cl)c4)n23)cc1,HSOINEZEVDOWIY-UHFFFAOYSA-N,3,1,0.459,96,3,426.842,5.184,5,0.397,0.73,1.0,0.4028082379549037,0.6177352477554657,0.9522822287711603,0.9699986292920293,0.7357060859433897
EOS-3-41967,Cc1cnc(-c2nnc3cncc(OCc4cnc(-c5ccc(F)nn5)cn4)n23)cn1,VBTSGUQYTWERDA-UHFFFAOYSA-N,3,1,0.385,7,828,416.38,1.855,5,0.418,0.61,1.0,0.49695017476526626,0.4420961551641423,0.10688952093756425,0.09642073881159618,0.28558914741964225
EOS-3-41968,Fc1ccc(-c2nnc3cncc(CCc4ccc(Cl)cc4)n23)cc1-c1cccnc1,ITSBNYVEKGMAPO-UHFFFAOYSA-N,3,1,0.43,57,358,429.886,5.431,5,0.373,0.81,1.0,0.4870382427523816,0.7373552189705983,0.9198821191145227,0.9474590500993764,0.7729336577342197
EOS-3-41969,COc1nc(-c2nnc3cncc(OCc4nn(C)cc4Cl)n23)ccc1-c1nccs1,UTZSHIHJVALINQ-UHFFFAOYSA-N,3,1,0.429,49,501,454.903,3.284,5,0.385,0.57,0.996,0.242546775409499,0.33895038037146186,0.08733123158111164,0.07429237201014324,0.18578018984305394
EOS-3-41970,CCc1nc(Cl)ncc1-c1cncc2nnc(-c3ccc(-c4cnnn4C)cc3)n12,HNTILENAOIRRQA-UHFFFAOYSA-N,3,1,0.31,50,336,417.864,3.26,5,0.414,0.65,1.0,0.14320471523541908,0.26893290384483587,0.1887122198615585,0.22513021725721336,0.2064950140497567
EOS-3-41971,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ccc5F)n34)cc2F)nc1,ALWCVNITDYGQET-UHFFFAOYSA-N,3,1,0.477,73,82,469.814,4.293,5,0.354,0.69,1.0,0.9304708381879241,0.9378812281543417,0.8531629086423137,0.8755568501130834,0.8992679562744157
EOS-3-41972,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccncc5)c(Cl)c4)n23)c(F)c1,RDUFTLVOLKPVKU-UHFFFAOYSA-N,3,1,0.532,13,145,435.821,5.577,5,0.369,0.81,1.0,0.8830357754780344,0.9253649509971901,0.9740679185799466,0.9807501199369474,0.9408046912480296
EOS-3-41973,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(Cl)c(-c6ccccn6)c5)n34)nn2)cc1,IZZGKHCUYDYCFA-UHFFFAOYSA-N,3,1,0.329,3,783,468.883,4.894,6,0.366,0.71,1.0,0.03955349187855527,0.3292611884038106,0.77547803440477,0.8599736138715647,0.5010665821396751
EOS-3-41974,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)o1,ZADHCEHNIUCGMO-UHFFFAOYSA-N,3,1,0.398,46,565,419.832,3.777,5,0.396,0.65,1.0,0.572416215475293,0.5229593585086697,0.5026728805428003,0.45493797546432735,0.5132466074977726
EOS-3-41975,Cc1nc(-c2ncccn2)c(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)s1,RRSLPXJDVYMIOM-UHFFFAOYSA-N,3,1,0.353,10,871,456.47,3.4,6,0.397,0.52,0.763,0.007033445274484271,0.06013124528819135,0.04794051127407306,0.09642930573641285,0.05288362689329039
EOS-3-41976,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3c(F)cncc3F)n12,WVOGLJMHEHYWCX-UHFFFAOYSA-N,3,1,0.489,65,804,464.436,2.89,5,0.362,0.58,1.0,0.6586937153039545,0.4642844904393119,0.3252947022136934,0.25484887944623397,0.42578044685079847
EOS-3-41977,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)s1,FIUJLDPJXYXMEC-UHFFFAOYSA-N,3,1,0.489,72,628,453.89,4.385,5,0.364,0.66,1.0,0.6893376053731752,0.6510948529915701,0.5405044205332054,0.5579552463847577,0.6097230313206771
EOS-3-41978,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncnnc5-c5cccc(F)n5)n34)cn2)n(C)n1,GXQOMHZOWXVKTD-UHFFFAOYSA-N,3,1,0.298,76,14,465.456,2.948,6,0.361,0.57,0.703,0.2069940374203276,0.25342676992666713,0.14437838393530258,0.1634826262764718,0.19207045438969228
EOS-3-41979,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)c(C)n1,IGYJKDIBIZQDJV-UHFFFAOYSA-N,3,1,0.484,59,577,465.439,4.374,5,0.346,0.71,1.0,0.4555890617503941,0.46854225207319583,0.7847817147556713,0.716888835583579,0.60645046604071
EOS-3-41980,Cc1nnc(C)c(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cn4)n23)n1,HYIPGJGFKHJTRH-UHFFFAOYSA-N,3,1,0.413,31,851,416.405,1.66,5,0.398,0.7,1.0,0.36453978479884863,0.1894832430950586,0.006904941402234254,0.0038808169419505176,0.141202196559523
EOS-3-41981,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cnn(C(F)F)c1,GQBHUHRRQQUMFB-UHFFFAOYSA-N,3,1,0.427,95,569,471.859,3.453,5,0.358,0.65,0.952,0.39207388115961894,0.3339130285792612,0.5672589267356589,0.537985744637105,0.45780789527791105
EOS-3-41982,Cc1cc(-c2nnc3cncc(-c4cnc(Cl)c(-c5cc(C#N)ccn5)n4)n23)ccc1Cl,WCGPPECBHBQCNF-UHFFFAOYSA-N,3,1,0.349,50,155,459.3,4.797,5,0.382,0.68,0.988,0.3093259543554246,0.49575937221574945,0.782545747378521,0.8599821807963813,0.6119033136865191
EOS-3-41983,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)c2)n1C,USQCDQYASSQIDN-UHFFFAOYSA-N,3,1,0.53,67,755,478.52,3.27,6,0.358,0.68,1.0,0.44616544445205947,0.21281954629566172,0.1384929065862518,0.11389726543759852,0.22784379069289287
EOS-3-41984,Fc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cn5)n34)s2)ncn1,VRNTXZJQSRJKBR-UHFFFAOYSA-N,3,1,0.29,70,944,460.483,3.424,6,0.364,0.58,0.949,0.07937255842642725,0.24859502433006647,0.08988417517647865,0.13833013501473512,0.13904547323692687
EOS-3-41985,COc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ncccn1,GPVWNBVJOBBDSK-UHFFFAOYSA-N,3,1,0.441,49,896,444.43,2.808,5,0.35,0.58,1.0,0.829869440065794,0.5985025015420464,0.23790350215886505,0.16886265506133918,0.4587845247070112
EOS-3-41986,COc1nc(-c2cccnc2F)ccc1-c1cncc2nnc(-c3ccc(C(C)F)nc3)n12,JFXGLDRNIBKJQN-UHFFFAOYSA-N,3,1,0.372,82,204,445.433,4.489,5,0.368,0.65,1.0,0.4920070591460489,0.5506733602905901,0.7223973682406963,0.5769738194777603,0.5855129017887739
EOS-3-41987,Clc1cnc(COc2cncc3nnc(-c4cnc(-c5ccnnc5)cn4)n23)cn1,OCEWJYLHWJQUHL-UHFFFAOYSA-N,3,1,0.411,7,828,418.808,2.061,5,0.418,0.56,1.0,0.4342916866561579,0.4685508189980125,0.1726663696799397,0.19892399424302654,0.3186082173942842
EOS-3-41988,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)cc1F,HBIFTZLYDLURQP-UHFFFAOYSA-N,3,1,0.5,16,353,453.84,4.097,5,0.373,0.61,1.0,0.8958347611541361,0.8585600712768144,0.8546449866355973,0.8462665341648962,0.863826588307861
EOS-3-41989,CCc1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ncc1-c1cnc(C)nc1,ZYQJTVJMALRHNY-UHFFFAOYSA-N,3,1,0.423,65,454,457.473,3.065,5,0.363,0.57,1.0,0.577984716606127,0.4288859570968405,0.12641354259475018,0.10906551984099788,0.3105874340346789
EOS-3-41990,Fc1ncc(-c2cc(COc3cncc4nnc(-c5cnc(F)nc5)n34)ncn2)cn1,QUNQOLZUNMMBAG-UHFFFAOYSA-N,3,1,0.471,7,434,420.343,1.685,5,0.387,0.59,1.0,0.5698547049551093,0.5229679254334864,0.32530326913851004,0.2696610924542526,0.42194674799533954
EOS-3-41991,c1ccc(-c2nsc(-c3cncc4nnc(-c5nccnc5-c5ccccc5)n34)n2)cc1,JPDLFWZUFCTJFZ-UHFFFAOYSA-N,3,1,0.358,30,365,434.488,4.434,6,0.405,0.65,1.0,0.07127681447467617,0.08543794119662806,0.10448221506408059,0.20203378795147695,0.11580768967171545
EOS-3-41992,FC(F)c1ccc(-c2nnc3cncc(OCc4nsc(-c5cccs5)n4)n23)cn1,CAWXQWAAXDWOFX-UHFFFAOYSA-N,3,1,0.446,27,69,443.464,4.283,5,0.387,0.66,1.0,0.5020303611815503,0.5690322801727092,0.3104053868823247,0.302686587622507,0.4210386539647728
EOS-3-41993,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,FMCVBIKXGVOPMT-UHFFFAOYSA-N,3,1,0.588,24,912,415.844,3.876,5,0.402,0.69,1.0,0.5196610924542526,0.5737697895963265,0.5062281543417175,0.5316462202727709,0.5328263141662669
EOS-3-41994,CCn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1cc(F)ccc1F,HFZBIYBHQNJKNF-UHFFFAOYSA-N,3,1,0.406,95,562,465.439,4.109,5,0.36,0.68,0.998,0.4414108011788089,0.3440819683366459,0.5602854499348914,0.6253598108423001,0.4927845075731615
EOS-3-41995,Cc1nnc(-c2ccc(-c3nnc4cncc(COc5ccncc5Cl)n34)nc2C)s1,ZTSWXTFAMMMICZ-UHFFFAOYSA-N,3,1,0.343,85,920,450.915,3.949,5,0.396,0.58,1.0,0.3507898704680968,0.36801795627441575,0.13850147351106848,0.1610581865533548,0.2545918717017339
EOS-3-41996,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)cc5)n34)o2)c1,ZSBFNLBADWRHSC-UHFFFAOYSA-N,3,1,0.304,32,327,435.422,4.709,6,0.396,0.65,1.0,0.24808957576588309,0.2534353368514838,0.7092814063463779,0.7274775546569804,0.4845709684051813
EOS-3-41997,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ccc2F)cn1,UZVMRURIVVMZJP-UHFFFAOYSA-N,3,1,0.41,13,394,435.85,4.655,5,0.399,0.67,1.0,0.5120622301418682,0.6314765951614009,0.6966623260914262,0.6976817901446097,0.6344707353848262
EOS-3-41998,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)ncn2)ccn1,MHQFXHIXHRCFBU-UHFFFAOYSA-N,3,1,0.392,18,194,463.864,3.178,5,0.358,0.56,0.661,0.6291121239120006,0.5506819272154068,0.2816205194983209,0.29958536083887327,0.4402499828661504
EOS-3-41999,Fc1cc(COc2cncc3nnc(-c4cc(-c5cccnc5F)ccn4)n23)c(F)cn1,ZJNUQTCVMIXZHH-UHFFFAOYSA-N,3,1,0.398,46,160,435.369,3.64,5,0.389,0.56,1.0,0.8041001302172572,0.694888972654376,0.8664844767322322,0.8478771160304297,0.8033376739085738
EOS-3-42000,FC(F)c1ccc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ncn2)cn1,MIKHYDSEPSILAM-UHFFFAOYSA-N,3,1,0.511,27,238,437.435,4.221,5,0.393,0.6,0.695,0.5925998903433624,0.5549396888492907,0.6829552463847577,0.592608457268179,0.6057758207113975
EOS-3-42001,Cn1cncc1-c1cc(Cl)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,AKBHOCGJNGIRQV-UHFFFAOYSA-N,3,1,0.511,26,639,466.332,4.515,5,0.343,0.7,1.0,0.6466057843876362,0.6221300801864162,0.6750479747789734,0.7248732095127133,0.6671642622164347
EOS-3-42002,COc1cc(-c2nnc3cncc(OCc4nc(C(F)F)cs4)n23)ccc1-c1cn(C)cn1,UOYRLSHFNDRTSA-UHFFFAOYSA-N,3,1,0.495,27,248,469.477,4.174,5,0.353,0.72,1.0,0.464901309026112,0.5690408470975259,0.5928226303885957,0.39500376944691934,0.5054421389897883
EOS-3-42003,Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)cn1,ZHRLJYJTMRTSLC-UHFFFAOYSA-N,3,1,0.433,13,995,415.844,4.397,5,0.429,0.71,1.0,0.530249811527654,0.5940648344870125,0.6234151189089164,0.6372250017133849,0.596238691659242
EOS-3-42004,Cc1cc(Oc2cncc3nnc(-c4ccc(-c5nccn5C)nc4C)n23)ncc1F,LMJPBNRNKSTAHL-UHFFFAOYSA-N,3,1,0.344,7,804,416.42,3.53,5,0.442,0.68,1.0,0.5456360084983894,0.45546055787814405,0.2923548762936056,0.21102905900897814,0.3761201254197793
EOS-3-42005,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccoc6)cc5)n34)nc2)n[nH]1,GNFYGRZKRUHKLJ-UHFFFAOYSA-N,3,1,0.293,38,818,420.436,4.207,6,0.455,0.62,1.0,0.19582276745939278,0.15268830100747036,0.39622883969570283,0.40111198684120347,0.2864629737509424
EOS-3-42006,Clc1cc(COc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)ccn1,GUGSABNDZQNVOM-UHFFFAOYSA-N,3,1,0.494,97,202,415.844,3.876,5,0.402,0.67,1.0,0.6619577136591049,0.6607840449592214,0.7431036255225825,0.7487920636008498,0.7036593619354397
EOS-3-42007,Clc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2Cl)s1,DMOVYPQUZCXDEO-UHFFFAOYSA-N,3,1,0.63,35,393,470.345,4.633,5,0.357,0.76,1.0,0.819734768007676,0.8616184634363648,0.5062367212665342,0.6014409567541635,0.6972577273661847
EOS-3-42008,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)o1,CKWYCWQLWBAFCK-UHFFFAOYSA-N,3,1,0.452,18,367,438.9,4.486,5,0.385,0.66,1.0,0.6264221095195669,0.5549482557741073,0.36618463436364884,0.359785141525598,0.47683503529573024
EOS-3-42009,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)nn2)cn1,AIEAGGQOKLXFGZ-UHFFFAOYSA-N,3,1,0.452,54,411,466.839,3.591,5,0.35,0.61,0.999,0.839875608251662,0.8459838256459461,0.67505654170379,0.7117229799191283,0.7681597388801316
EOS-3-42010,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ncn2)nc1,RYYPYAIRUCBBJJ-UHFFFAOYSA-N,3,1,0.385,46,842,453.8,2.944,5,0.396,0.5,0.793,0.7788362689329038,0.6221386471112329,0.5405129874580221,0.5926170241929957,0.6335262319237887
EOS-3-42011,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)cn1,AIYHPUKLLHHQAH-UHFFFAOYSA-N,3,1,0.472,41,363,472.512,4.593,6,0.347,0.74,1.0,0.6348348296895346,0.3962631073949695,0.560294016859708,0.4825748749228977,0.5184917072167775
EOS-3-42012,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)cnc1Cl,DSGULOYDDGXBRM-UHFFFAOYSA-N,3,1,0.416,46,160,438.875,4.681,5,0.371,0.68,1.0,0.6952916181207593,0.5791412514563772,0.792860324857789,0.8100541429648414,0.7193368343499417
EOS-3-42013,Cn1cncc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cn1,PHKCWZBJSFXWNJ-UHFFFAOYSA-N,3,1,0.295,86,249,411.389,1.822,6,0.426,0.75,1.0,0.022154067575902953,0.029067575902953877,0.080049345486944,0.07633986704132685,0.051902714001781924
EOS-3-42014,Fc1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)no2)cc(Cl)n1,JHPVBFODLUKXEJ-UHFFFAOYSA-N,3,1,0.443,27,69,474.79,3.94,5,0.337,0.77,1.0,0.6264306764443835,0.6655215543828388,0.6829638133095743,0.6631056815845384,0.6595054314303338
EOS-3-42015,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)cc1-c1ccccc1F,XRTVGZATLDAYND-UHFFFAOYSA-N,3,1,0.452,95,562,467.867,4.14,5,0.373,0.63,0.999,0.540333082036872,0.504874580220684,0.7068569666232609,0.7691984785141526,0.6303157768487424
EOS-3-42016,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc(-c2cncc(F)c2)n1,ZVMONRARKHBRHZ-UHFFFAOYSA-N,3,1,0.511,35,76,445.433,3.851,5,0.367,0.58,1.0,0.8734665204578165,0.7506339524364334,0.701802480981427,0.6543417174970872,0.745061167843191
EOS-3-42017,Cc1cccc(-c2ncc(-c3ccc(F)cn3)cc2-c2nnc3cncc(Cc4cccnn4)n23)n1,SRHAIRDBFUNOGK-UHFFFAOYSA-N,3,1,0.314,32,218,475.491,4.139,6,0.366,0.67,0.387,0.31193886642450824,0.2739531217874032,0.3699540812829827,0.3889298197519019,0.336193972311699
EOS-3-42018,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5-c5cccnc5)n34)nc2)nn1C,DYZUJUVBLZNPOE-UHFFFAOYSA-N,3,1,0.33,32,572,462.492,4.763,6,0.375,0.67,1.0,0.1297118086491673,0.2947878829415393,0.6290521554382839,0.6139229662120486,0.4168687033102597
EOS-3-42019,Clc1sccc1COc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,FQPYQVFXFXGXCP-UHFFFAOYSA-N,3,1,0.465,46,181,420.885,4.542,5,0.415,0.71,1.0,0.589695702830512,0.5274484271126036,0.5833219107669111,0.6253683777671167,0.5814586046192858
EOS-3-42020,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)cnn2)n1,LVSRJWMDJRVQAW-UHFFFAOYSA-N,3,1,0.385,53,382,416.38,1.855,5,0.418,0.58,0.99,0.6619662805839216,0.5002998423685834,0.10449078198889726,0.12075937221574944,0.34687906928928786
EOS-3-42021,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5sccc5F)nc4)n23)cn1,ZWKDSAOADUSZCD-UHFFFAOYSA-N,3,1,0.573,55,283,418.457,4.336,5,0.423,0.72,1.0,0.7872918237269549,0.7849616201768214,0.5993077924748133,0.5349787540264547,0.6766349976012611
EOS-3-42022,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)o1,RESVKZYQBIUVJP-UHFFFAOYSA-N,3,1,0.554,15,655,416.416,3.91,5,0.388,0.73,1.0,0.8420173394558289,0.6655301213076554,0.6144712494003153,0.5246641765471867,0.6616707216777465
EOS-3-42023,Cc1cnnn1-c1cnc(COc2cncc3nnc(-c4ccnc(F)c4)n23)c(Cl)c1,KWCRMWZYTPULOB-UHFFFAOYSA-N,3,1,0.478,92,486,437.826,2.842,5,0.386,0.58,0.995,0.23992529641559865,0.3727383318483997,0.347483037488863,0.395012336371736,0.33878975053114935
EOS-3-42024,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2F)cn1,VPISQCHHLRFPNJ-UHFFFAOYSA-N,3,1,0.422,18,773,462.876,3.761,5,0.351,0.62,0.994,0.8251062298677266,0.8015214858474402,0.4783942156123638,0.4857703378795148,0.6476980673017613
EOS-3-42025,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)c1,SAJDESNXSPSYMP-UHFFFAOYSA-N,3,1,0.383,46,160,435.369,3.64,5,0.389,0.58,1.0,0.7289167980261805,0.6655386882324721,0.8772016996778836,0.8679922554999657,0.7849123603591255
EOS-3-42026,OCc1cccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cn1,NSULLWBHIQKANN-UHFFFAOYSA-N,3,1,0.398,28,93,473.496,4.595,6,0.374,0.75,1.0,0.5508703995613734,0.47292851757932974,0.5833304776917277,0.5349873209512713,0.5355291789459256
EOS-3-42028,CC(C)(O)c1cnc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)cn1,CBBMHLQDKDEDQS-UHFFFAOYSA-N,3,1,0.366,7,828,442.443,1.635,5,0.409,0.57,0.829,0.3486310054142965,0.21775409499006237,0.15981598245493797,0.057561167843191006,0.19594056267562196
EOS-3-42029,Clc1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)nn1,LBIPTPCLDIAEJD-UHFFFAOYSA-N,3,1,0.404,18,367,470.345,4.633,5,0.357,0.73,1.0,0.522539579192653,0.5411383729696388,0.3962374066205195,0.5642690699746419,0.5060461071893633
EOS-3-42030,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)c1,KTXJEUPGRZJPJO-UHFFFAOYSA-N,3,1,0.608,57,962,415.403,4.711,5,0.389,0.81,1.0,0.8887670481803852,0.8249520252210266,0.9384038105681585,0.9368960318004249,0.8972547289424988
EOS-3-42031,COc1cc(-c2nnc3cncc(Oc4ccc(-c5cccc(F)c5)cn4)n23)ccc1Cl,XYLUWYMKLJKQKD-UHFFFAOYSA-N,3,1,0.461,57,417,447.857,5.447,5,0.357,0.85,1.0,0.9390291960797752,0.9350798437392913,0.9313617983688575,0.9172092385717223,0.9306700191899115
EOS-3-42032,Cc1c(-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)ccc2ccccc12,XSMBCFVNQMQGNT-UHFFFAOYSA-N,3,1,0.326,94,566,416.448,4.167,6,0.427,0.69,0.984,0.10031868960318004,0.12360359125488314,0.5371290521554383,0.5642776368994585,0.33133224247824
EOS-3-42033,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cnccn1,GQCOPOHKKRFLCM-UHFFFAOYSA-N,3,1,0.484,87,307,460.885,3.322,5,0.36,0.6,1.0,0.6740884791995065,0.6409773147830855,0.3142776368994586,0.27249674456856965,0.47546004386265506
EOS-3-42034,Cc1cc(COc2cncc3nnc(-c4cc(-c5cnc(CF)cn5)n(C)n4)n23)cnn1,XNZNNJCIZAUEIF-UHFFFAOYSA-N,3,1,0.415,92,105,432.423,2.129,5,0.397,0.55,0.977,0.24255534233431567,0.1304828318826674,0.08005791241176068,0.059026111986841205,0.12803054965389624
EOS-3-42035,COc1cc(-c2nnc3cncc(OCCc4cnc(C)nn4)n23)ccc1-c1cncn1C,PXRFBDWSQIULDV-UHFFFAOYSA-N,3,1,0.452,15,771,443.471,2.315,5,0.373,0.52,1.0,0.390009252278802,0.1338839010348845,0.10689808786238092,0.05601055445137414,0.1717004489068604
EOS-3-42036,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)cnn1,IZTQJLUUTOTLRZ-UHFFFAOYSA-N,3,1,0.4,53,587,414.433,2.142,5,0.411,0.68,1.0,0.1570659995887876,0.10108114591186347,0.059128915084641215,0.03662360359125488,0.0884749160441368
EOS-3-42037,Cc1cc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)s2)nn1C,AZNTYFPEAXXRQC-UHFFFAOYSA-N,3,1,0.299,76,543,469.509,4.22,6,0.381,0.63,0.922,0.07128538139949284,0.23306318963744774,0.2234168322938798,0.2905386882324721,0.2045760228908231
EOS-3-42038,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5ncc(F)cc5F)ncn4)n23)ccc1F,ZRTTWTVXNBLXHY-UHFFFAOYSA-N,3,1,0.379,44,481,464.411,3.386,5,0.377,0.59,0.871,0.7377578644369817,0.5893273250633952,0.5270115139469536,0.5246727434720033,0.5946923617298334
EOS-3-42040,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)s1,WHRYYWXLCIJHRK-UHFFFAOYSA-N,3,1,0.524,43,483,453.89,4.385,5,0.364,0.71,1.0,0.7407305873483654,0.8426170241929957,0.557149955451991,0.6014495236789802,0.685486772668083
EOS-3-42041,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccs5)cc4Cl)n23)cn1,SFGWNJGIWGQRQL-UHFFFAOYSA-N,3,1,0.356,82,204,472.961,5.127,6,0.383,0.78,0.997,0.21794256733602907,0.25344390377630044,0.3435936536220958,0.5181875813857858,0.3332919265300528
EOS-3-42042,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,ZGBBHJTWFHHTGZ-UHFFFAOYSA-N,3,1,0.494,97,666,438.875,4.681,5,0.371,0.71,1.0,0.8513467205811802,0.8494020286477966,0.8264255362894936,0.8386505380028785,0.8414562058803372
EOS-3-42043,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)sn2)n1,DSWREGFFKOHHBH-UHFFFAOYSA-N,3,1,0.605,59,294,436.447,4.475,5,0.404,0.67,1.0,0.6466143513124529,0.5940734014118292,0.6966708930162429,0.6891319991775752,0.6566226612295251
EOS-3-42044,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)s1,VQSJXZAMBQKTPD-UHFFFAOYSA-N,3,1,0.484,87,838,450.915,3.683,5,0.386,0.58,1.0,0.5251096566376533,0.6221472140360497,0.16611267219518883,0.21949318072784593,0.38321568089918445
EOS-3-42045,CCn1cnnc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)cs1,QZXQKOJTTLNFOY-UHFFFAOYSA-N,3,1,0.429,31,908,461.486,3.158,5,0.362,0.6,1.0,0.4845624014803646,0.3680265231992324,0.15045233363032007,0.15560105544513742,0.28966057843876364
EOS-3-42046,c1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)s2)s1,YQELTSPKWPJZSK-UHFFFAOYSA-N,3,1,0.457,71,117,460.508,3.13,6,0.398,0.57,1.0,0.36234665204578165,0.3915255979713522,0.0671732574874923,0.07986944006579398,0.22522873689260503
EOS-3-42047,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cnn2)s1,RDZXZWHBFHMMNZ-UHFFFAOYSA-N,3,1,0.49,87,778,450.915,3.683,5,0.361,0.62,1.0,0.5724247824001096,0.6704561030772394,0.24866355972859983,0.27250531149338636,0.4410124391748338
EOS-3-42048,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(Cl)cnc4Cl)n23)c(F)c1,JOTJAANAHPCPLH-UHFFFAOYSA-N,3,1,0.451,73,353,471.283,4.007,5,0.382,0.65,0.986,0.6525083955863203,0.7680333767390858,0.5603025837845247,0.6342265780275512,0.6537677335343705
EOS-3-42049,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1nccc(C)n1,KRCPQEHGOYKUQW-UHFFFAOYSA-N,3,1,0.418,46,717,458.913,4.142,5,0.374,0.62,0.994,0.5724333493249263,0.5048831471455006,0.22005859776574602,0.22246590363922966,0.37996024946885065
EOS-3-42050,Cc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cc(F)ccn1,BNWBDWJLIVWVOV-UHFFFAOYSA-N,3,1,0.435,46,565,447.861,4.323,5,0.37,0.61,1.0,0.8119560002741416,0.7419984922212323,0.6856880954012747,0.694991775752176,0.7336585909122062
EOS-3-42051,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(C)nn5)s4)n23)cc1,ACROVNYYAUFJTH-UHFFFAOYSA-N,3,1,0.519,89,268,414.494,4.506,5,0.421,0.79,1.0,0.5866544445205949,0.5737783565211432,0.392407991227469,0.3243866081831266,0.4693068501130834
EOS-3-42052,Fc1cc(-c2nnc3cncc(OCc4cn(-c5ccnc(F)c5F)nn4)n23)ccc1Cl,KIICKSZRELOQCX-UHFFFAOYSA-N,3,1,0.547,73,391,458.791,3.417,5,0.372,0.59,1.0,0.4093362346652046,0.6850455760400247,0.8098656706188746,0.8532485778904805,0.6893740148036461
EOS-3-42053,COCc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ncn2)ccn1,AXMSPRZLYVJUDP-UHFFFAOYSA-N,3,1,0.369,46,238,458.457,3.211,5,0.363,0.6,1.0,0.4721917620450963,0.3775872112946337,0.47166061270646287,0.3340672332259612,0.4138767048180385
EOS-3-42054,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccccc5F)n4)n23)ccc1Cl,HGINHJUWANKZMU-UHFFFAOYSA-N,3,1,0.554,34,210,468.826,4.898,5,0.365,0.73,1.0,0.9706411486532794,0.982077993283531,0.9123346583510383,0.937718456582825,0.9506930642176685
EOS-3-42055,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(C)n(C)n5)n34)c2)nn1,VICKKJSPKZZDTJ-UHFFFAOYSA-N,3,1,0.446,36,506,413.445,2.573,5,0.432,0.69,1.0,0.2233311630457131,0.15269686793228704,0.0964978411349462,0.056019121376190806,0.13213624837228427
EOS-3-42056,Cc1nn(C)c(C)c1-c1cnc(COc2cncc3nnc(-c4ccncc4)n23)nc1,VMCNNKDXBXIFBH-UHFFFAOYSA-N,3,1,0.464,51,986,413.445,2.573,5,0.432,0.69,1.0,0.2262610513330135,0.14877321636625318,0.06940922486464259,0.03663217051607155,0.1202689157699952
EOS-3-42057,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c(F)n2)cn1,OQYMPGAGQZIPIW-UHFFFAOYSA-N,3,1,0.516,11,490,461.888,4.366,5,0.347,0.67,1.0,0.8887756151052019,0.9162326091426222,0.6113785895414982,0.6167500514015489,0.7582842162977178
EOS-3-42058,Fc1cc(-c2nnc3cncc(CCc4noc(-c5sccc5Cl)n4)n23)ccc1Cl,PTACJMCTHXIALH-UHFFFAOYSA-N,3,1,0.388,73,575,461.309,5.134,5,0.361,0.77,1.0,0.3986018778699198,0.6607926118840382,0.43597937084504146,0.6976903570694264,0.5482660544171065
EOS-3-42059,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncc2F)cn1,YDNXRWBSCXVQQA-UHFFFAOYSA-N,3,1,0.561,97,232,450.836,4.759,5,0.359,0.71,1.0,0.9416935096977589,0.97539579192653,0.9328353094373244,0.9411794942087588,0.9477760263175931
EOS-3-42060,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1,OZHHADOODVXHAT-UHFFFAOYSA-N,3,1,0.338,69,898,435.516,4.982,6,0.39,0.66,1.0,0.14577479268041943,0.1166986498526489,0.5771451579740936,0.5579638133095743,0.3493956034541841
EOS-3-42062,CCc1cnc(C)c(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)cn2)c1,MEMWOQBNVWJNIM-UHFFFAOYSA-N,3,1,0.433,55,606,455.497,4.541,5,0.371,0.68,1.0,0.722791446782263,0.6750908094030567,0.579997943938044,0.4138510040435885,0.5979328010417381
EOS-3-42063,c1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)no2)cc1,LAEXMPLWQRXOIK-UHFFFAOYSA-N,3,1,0.338,30,93,417.432,4.57,6,0.415,0.77,0.981,0.11875471180864916,0.11376019464053183,0.46459289973271195,0.5012936056473168,0.2996003529573025
EOS-3-42064,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncnn5C)cnc4Cl)n23)nc1,CTCDNIXZBBWALA-UHFFFAOYSA-N,3,1,0.359,33,760,476.888,1.969,5,0.364,0.62,0.845,0.3877218833527517,0.3534713179357138,0.11529367418271537,0.07987800699061065,0.23409122061544788
EOS-3-42065,CC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnn(C(F)F)c5)c4)n23)cc1,BEZZEZDTXNHNGK-UHFFFAOYSA-N,3,1,0.341,62,124,430.418,4.92,5,0.37,0.73,1.0,0.17056747309985607,0.20314748817764375,0.8871393324652183,0.8014615173737235,0.5155789527791104
EOS-3-42067,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccccn6)c5)n34)cc2)n1,WWJUCKMDRILKDU-UHFFFAOYSA-N,3,1,0.326,69,695,441.498,5.286,6,0.37,0.76,1.0,0.14321328216023577,0.09784284833116305,0.6615636351175382,0.6487646494414365,0.38784610376259343
EOS-3-42068,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)no4)n23)cc1Cl,CBCCYRPUPLZMEH-UHFFFAOYSA-N,3,1,0.511,16,389,454.277,4.431,5,0.384,0.67,0.999,0.7759834829689535,0.7764289630594202,0.5993163593996299,0.6659070659995888,0.7044089678568981
EOS-3-42069,Cc1c(CO)noc1-c1cc(COc2cncc3nnc(-c4ccc(C#N)nc4)n23)n(C)n1,JBCFJRZQNQSFFK-UHFFFAOYSA-N,3,1,0.448,92,986,443.427,1.826,5,0.411,0.56,1.0,0.3369200191899116,0.32483208827359333,0.09923069015146323,0.06688198204372559,0.20696619491467344
EOS-3-42071,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)cnn2)cn1,OXHSUYJYDNJKGT-UHFFFAOYSA-N,3,1,0.624,19,73,431.406,3.543,5,0.38,0.57,1.0,0.789973271194572,0.805676444383524,0.7478668357206497,0.7512850387225002,0.7737003975053114
EOS-3-42072,Cc1cncc(CCOc2cncc3nnc(-c4cccc(-c5cn(C)cn5)c4)n23)n1,ANEYFBQJMDQAEI-UHFFFAOYSA-N,3,1,0.488,20,846,412.457,2.912,5,0.423,0.73,1.0,0.48704680967719827,0.3098485367692413,0.18872078678637516,0.14066033856486876,0.28156911794942086
EOS-3-42073,CCOc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cncnn5)n34)c2)c(C)c1,ZVVJDFDTXFOHQV-UHFFFAOYSA-N,3,1,0.38,31,720,455.482,2.762,5,0.345,0.56,1.0,0.21501267904872867,0.10108971283668014,0.10690665478719759,0.07034301966965938,0.12333801658556644
EOS-3-42074,Cc1c(F)ccc(COc2cncc3nnc(-c4ccc(-c5cncs5)cn4)n23)c1F,HYJKVOPXRQHHIQ-UHFFFAOYSA-N,3,1,0.448,59,109,436.447,4.475,5,0.404,0.65,1.0,0.695300185045576,0.6031115070934138,0.8264341032143102,0.7739017202385032,0.7246868788979508
EOS-3-42075,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ncc1-c1cccnc1,WIWGJBWUNXTWCX-UHFFFAOYSA-N,3,1,0.394,46,959,463.86,4.023,5,0.348,0.65,1.0,0.8513552875059969,0.7233054622712631,0.7568535398533343,0.7004746076348434,0.7579972243163595
EOS-3-42076,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)cc1F,VANYWVQMBOHIQC-UHFFFAOYSA-N,3,1,0.5,16,353,437.385,3.583,5,0.391,0.55,1.0,0.8958433280789527,0.8210540744294428,0.854653553560414,0.8186639024055925,0.8475537146186004
EOS-3-42077,Cc1nc(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)nc2)c(C)n1,CWROZEYBFGCCJV-UHFFFAOYSA-N,3,1,0.291,70,968,475.52,3.426,6,0.377,0.61,0.999,0.10306010554451374,0.045301898430539375,0.07136248372284285,0.045310465355356044,0.066258738263313
EOS-3-42078,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cc[nH]n5)c4)n23)nc1,LGWBOLMMSKXZIN-UHFFFAOYSA-N,3,1,0.277,30,737,429.487,5.219,6,0.415,0.74,1.0,0.08359605236104448,0.10418237269549722,0.7092899732711946,0.7168974025083956,0.403491450209033
EOS-3-42079,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c1,LEARPSJQSTYESO-UHFFFAOYSA-N,3,1,0.593,4,921,417.86,3.819,5,0.432,0.61,1.0,0.430033925022274,0.4957679391405661,0.5405215543828388,0.5479576451237064,0.5035702659173463
EOS-3-42081,CCn1cncc1-c1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)ccc1F,VPCIMGPEFWVGNQ-UHFFFAOYSA-N,3,1,0.446,13,145,434.862,5.26,5,0.377,0.77,1.0,0.6124237543691317,0.7592351449523679,0.8560927969296142,0.8664073744088822,0.773539767664999
EOS-3-42082,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)s1,WXVQJYLHLQWPRJ-UHFFFAOYSA-N,3,1,0.645,2,884,452.902,4.99,5,0.374,0.76,1.0,0.7584041532451511,0.7551572887396341,0.8191436501953259,0.8124443149886916,0.7862873517922007
EOS-3-42083,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccccc4)c(Cl)c3)n12,UOJQSGBEHNVFSP-UHFFFAOYSA-N,3,1,0.625,91,660,445.885,5.267,5,0.356,0.75,1.0,0.9566684942772942,0.965106915221712,0.9095332739359879,0.9287831539990405,0.9400229593585085
EOS-3-42084,Cc1cc(-c2cc(Cl)nc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)ncn1,WPPWFDJFDXHNSH-UHFFFAOYSA-N,3,1,0.406,18,773,462.876,3.761,5,0.351,0.61,1.0,0.7347937084504146,0.6364539784798848,0.5335823452813379,0.534995887876088,0.6099564800219314
EOS-3-42085,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3ccc(C)nc3F)n12,HWGRXSVPUDHTFH-UHFFFAOYSA-N,3,1,0.457,7,804,446.446,3.017,5,0.367,0.59,0.999,0.5640805976286752,0.40139469536015354,0.23791206908368173,0.1273901720238503,0.33269438352409025
EOS-3-42086,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc([N+](=O)[O-])cn4)n23)cc1,CKJFCFSJIYDNPZ-UHFFFAOYSA-N,3,1,0.529,36,734,429.4,2.469,5,0.294,0.69,1.0,0.45559762867521075,0.16027859639503803,0.13851004043588513,0.043965458159139194,0.19958793091631827
EOS-3-42087,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)cc(F)n2)nc1,JZGISNSFFAVESK-UHFFFAOYSA-N,3,1,0.5,65,263,433.382,2.333,5,0.372,0.52,0.968,0.879309163182784,0.7464532931258995,0.31428620382427525,0.32439517510794325,0.5661109588102256
EOS-3-42088,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4cnc(CF)nc4-c4ccnn4C)n23)n1,OKVICTQOGKNQIW-UHFFFAOYSA-N,3,1,0.258,99,259,468.46,2.309,6,0.374,0.58,0.398,0.17057604002467275,0.1041909396203139,0.02639469536015352,0.027705434857103695,0.08221677746556097
EOS-3-42089,N#Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)ccc1F,FYSCDQZYAWENBL-UHFFFAOYSA-N,3,1,0.404,59,153,459.391,4.116,5,0.39,0.59,1.0,0.8224590500993764,0.7420070591460489,0.9578764306764443,0.9507915838530601,0.8682835309437325
EOS-3-42091,COc1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1F,SMQIQUPGFPNOPD-UHFFFAOYSA-N,3,1,0.388,0,437,404.405,2.893,5,0.55,0.9,1.0,0.34642930573641284,0.2637413474059352,0.2664399287231855,0.2548574463710506,0.2828670070591461
EOS-3-42092,Cc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5cccc(F)c5)c4)n23)n1,UDAGMDVFWHWSSM-UHFFFAOYSA-N,3,1,0.583,57,275,443.457,5.061,5,0.367,0.73,1.0,0.7928774587074224,0.8356264135425947,0.8591083544650813,0.859990747721198,0.8369007436090742
EOS-3-42093,FC(F)OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,BKLOFTKMGXUCTD-UHFFFAOYSA-N,3,1,0.575,90,400,466.275,4.854,4,0.37,0.69,0.999,0.9651668836954287,0.9688335275169625,0.9609605236104448,0.9633506956342951,0.9645779076142829
EOS-3-42094,Cc1cc(C)nc(-c2ccc(-c3nnc4cncc(OCc5sncc5C)n34)cn2)c1,VQAAMQUSAUICTQ-UHFFFAOYSA-N,3,1,0.494,55,283,429.509,4.209,5,0.413,0.63,0.999,0.3784781714755671,0.309857103694058,0.18558529230347476,0.127398738948667,0.25032982660544173
EOS-3-42095,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnnc5)n4)n23)cc1,QFBPTCVMTPWUGL-UHFFFAOYSA-N,3,1,0.364,93,74,445.461,5.116,6,0.375,0.7,1.0,0.32693098485367694,0.45091152080049346,0.822878829415393,0.84983037488863,0.6126379274895484
EOS-3-42096,COc1nc(-c2ncccc2C)ccc1-c1nnc2cncc(OCCc3ccc(F)nc3)n12,GCNKHBXTTIRBDD-UHFFFAOYSA-N,3,1,0.484,49,710,457.469,3.721,5,0.341,0.64,1.0,0.7228000137070797,0.5985110684668631,0.3513638544308135,0.24575080529093277,0.4796064354739223
EOS-3-42097,CCn1cnc(-c2ccccc2)c1-c1cncc2nnc(-c3cnc(-c4cocn4)cc3F)n12,IBHGUPWVAZRBMY-UHFFFAOYSA-N,3,1,0.301,32,945,452.453,4.531,6,0.379,0.65,0.102,0.2585412240422178,0.3488109108354465,0.33985847440202865,0.3980193269823864,0.3363074840655198
EOS-3-42098,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCCc5ccccn5)n34)c2)cn1,TVRKCECAACIOJI-UHFFFAOYSA-N,3,1,0.436,18,157,427.443,3.794,5,0.288,0.77,1.0,0.6619748475087383,0.6031200740182304,0.40338222191762046,0.4233602905900898,0.5229593585086697
EOS-3-42099,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)c5)ncn4)n23)c(F)c1,JVKIWPDYEXLWMF-UHFFFAOYSA-N,3,1,0.451,4,675,476.859,3.114,5,0.369,0.66,1.0,0.5955297786306627,0.5137499143307518,0.5960437941196628,0.5415667192104722,0.5617225515728873
EOS-3-42100,Fc1cccc(-c2nc(-c3cncc4nnc(-c5ccc(OC(F)F)nc5)n34)c3cccn3n2)c1,WRFYBWYVFOTYGS-UHFFFAOYSA-N,3,1,0.363,96,121,474.406,4.304,6,0.368,0.73,0.228,0.45088582002604344,0.670464670002056,0.7754866013295867,0.797143787266123,0.6734952196559523
EOS-3-42101,Fc1ccc(-c2nnc3cncc(Cc4ccc(-c5c(F)ncc6ccccc56)nn4)n23)c(F)c1,PTTFHXYGKUEALH-UHFFFAOYSA-N,3,1,0.36,3,358,469.43,4.805,6,0.345,0.73,1.0,0.4577650606538277,0.6511034199163868,0.8371598930847783,0.889469536015352,0.7088744774175861
EOS-3-42102,Cc1nc(-c2c[nH]c(C)n2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,XTAIJHODTRPWKC-UHFFFAOYSA-N,3,1,0.423,31,330,447.89,3.258,5,0.394,0.59,0.865,0.5170738811596189,0.4862415187444315,0.1790230278939072,0.17163833870193956,0.3384941916249743
EOS-3-42103,Clc1cnc(COc2cncc3nnc(-c4cc(-c5cncnc5Cl)ncn4)n23)nc1,DADZKCXNNMSSGZ-UHFFFAOYSA-N,3,1,0.347,51,48,453.253,2.714,5,0.366,0.56,0.856,0.5611078747172915,0.5365636351175382,0.22006716469056267,0.30928311973134126,0.40675544856418344
EOS-3-42104,Fc1ccc(-c2nccs2)cc1-c1nnc2cncc(OCc3cccnc3Cl)n12,GPWAHTTZYHASSU-UHFFFAOYSA-N,3,1,0.488,97,666,438.875,4.681,5,0.371,0.73,1.0,0.8348125556850113,0.8249605921458433,0.7454252621478994,0.7789048043314372,0.7960258035775478
EOS-3-42105,Cc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cccc(-c4ncon4)n3)n12,PPFWEPUYLKHNSB-UHFFFAOYSA-N,3,1,0.43,81,218,463.461,3.581,6,0.361,0.65,1.0,0.4028168048797204,0.26374991433075184,0.244945514358166,0.20504077856212735,0.2791382530326914
EOS-3-42106,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccn1,NAWSWSXHMHKAQG-UHFFFAOYSA-N,3,1,0.483,92,420,419.836,2.609,5,0.427,0.57,1.0,0.3943698170104859,0.4154615859091221,0.17589610033582345,0.1853282845589747,0.29276394695360153
EOS-3-42107,Fc1ccnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)s5)n34)nc2)c1,BEDILFRFKSEKNH-UHFFFAOYSA-N,3,1,0.329,32,20,451.49,5.178,6,0.367,0.75,0.881,0.20700260434514425,0.3047426495785073,0.5371376190802549,0.619868412034816,0.41718782125968057
EOS-3-42108,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnnn6C)cn5)n34)cc2)n1,WGRDKACUQRWGRQ-UHFFFAOYSA-N,3,1,0.522,56,415,467.453,2.314,6,0.355,0.62,1.0,0.3645483517236653,0.24860359125488316,0.055547940511274076,0.04025597971352204,0.17723896580083615
EOS-3-42109,COc1ncc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1cncnc1,OBLXIMIBYLABMN-UHFFFAOYSA-N,3,1,0.495,65,657,444.43,2.808,5,0.374,0.55,1.0,0.7011256939209102,0.6460146665752862,0.4646014666575286,0.35646974162154754,0.5420528921938181
EOS-3-42110,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(C)s5)n34)cn2)o1,LTRHRCOINZHINL-UHFFFAOYSA-N,3,1,0.518,87,579,418.482,4.141,5,0.409,0.72,1.0,0.5251182235624701,0.46855938592282914,0.2131108217394284,0.1429905421150024,0.3374447433349325
EOS-3-42111,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5sncc5C)n34)ccn2)s1,UJTSZPPHKICDEE-UHFFFAOYSA-N,3,1,0.5,92,241,422.499,3.357,5,0.425,0.61,1.0,0.31194743334932495,0.2739616887122199,0.024218696456719896,0.01860736070180248,0.15718379480501682
EOS-3-42112,CC(C)(C)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)o4)n23)cc1,MXQFZBJKAWQCJG-UHFFFAOYSA-N,3,1,0.486,74,124,431.887,4.854,5,0.376,0.77,1.0,0.3119560002741416,0.39627167431978616,0.6639880748406553,0.5512302104036735,0.4808614899595641
EOS-3-42113,Cc1nc(-c2ccncn2)cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)n1,OVNXKOKTBHDLNP-UHFFFAOYSA-N,3,1,0.412,31,330,450.915,3.683,5,0.386,0.57,0.998,0.7011342608457268,0.564448975395792,0.15982454937975465,0.1908625179905421,0.40406757590295383
EOS-3-42114,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cccnc5Cl)nn4)n23)ccc1Cl,UPXLAAGIPHJDJY-UHFFFAOYSA-N,3,1,0.541,34,391,468.279,4.668,5,0.346,0.73,1.0,0.8713761908025495,0.9512456308683435,0.8320368720444109,0.8811938866424508,0.8839631450894386
EOS-3-42115,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ccc4F)n23)ccc1Cl,FNOCVMJHKNPXFB-UHFFFAOYSA-N,3,1,0.564,59,293,464.863,5.067,5,0.361,0.76,1.0,0.9645586320334453,0.9626996093482284,0.92459392776369,0.9226149681310397,0.9436167843191008
EOS-3-42116,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4C(F)F)n23)cn1,NMLQRUPOZVFFAT-UHFFFAOYSA-N,3,1,0.511,68,127,438.772,4.689,4,0.406,0.64,0.96,0.7817832910698376,0.9035878281132205,0.9758241381673635,0.9614659721746281,0.9056653073812624
EOS-3-42117,Cc1nc(-c2cnc(C)s2)cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)n1,YGPSHKAMADIQPV-UHFFFAOYSA-N,3,1,0.414,31,531,448.487,3.477,5,0.364,0.59,1.0,0.4870553766020149,0.46429305736412857,0.10691522171201426,0.09643787266122952,0.28867538208484683
EOS-3-42118,Cc1ccc(CCOc2cncc3nnc(-c4cc(F)cc(-c5cnccn5)c4)n23)c(Cl)n1,ZNYOCEZHCIECMY-UHFFFAOYSA-N,3,1,0.545,35,846,461.888,4.366,5,0.347,0.64,1.0,0.834821122609828,0.8585686382016311,0.6938095401274759,0.697698923994243,0.7712245562332944
EOS-3-42119,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,QRLBVNQVVCWSFT-UHFFFAOYSA-N,3,1,0.512,65,349,412.457,2.912,5,0.423,0.75,1.0,0.3269395517784936,0.13049139880748406,0.27000376944691934,0.19087108491535879,0.22957645123706394
EOS-3-42120,Clc1ccc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ncccn5)c4)n23)nn1,UQJODFGBQIYOPP-UHFFFAOYSA-N,3,1,0.468,58,132,466.292,3.362,5,0.347,0.59,0.999,0.6466229182372696,0.7186964567198958,0.21645192241792885,0.32143101912137617,0.47580057912411755
EOS-3-42121,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc(C)n2)nn1,VHRDQXOTPSMCHH-UHFFFAOYSA-N,3,1,0.511,58,241,458.913,3.93,5,0.377,0.59,0.999,0.5836988554588445,0.6850541429648414,0.2996110616133233,0.2995939277636899,0.4669894969501747
EOS-3-42122,Cc1cnc(-c2ccc(-c3nnc4cncc(Cc5ccc(-c6cncnn6)cn5)n34)c(F)c2)nn1,VJYDOZZBFBESRJ-UHFFFAOYSA-N,3,1,0.308,98,314,477.467,2.929,6,0.365,0.6,1.0,0.37848673840038377,0.37759577821945034,0.2664484956480022,0.272513878418203,0.32376122267150986
EOS-3-42123,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2C)s1,DTVONZOUJKWEMB-UHFFFAOYSA-N,3,1,0.434,95,569,452.931,3.627,5,0.388,0.58,1.0,0.282597148927421,0.2790847097525872,0.14723973682406963,0.17422554999657322,0.22078678637516277
EOS-3-42124,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)s1,ZMESAMXHGZXQJN-UHFFFAOYSA-N,3,1,0.4,18,367,467.917,4.427,5,0.365,0.69,1.0,0.5724419162497429,0.5690494140223425,0.45059454458227677,0.47651805907751354,0.517150983482969
EOS-3-42125,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)c1F,NZIMUJKACZQFQE-UHFFFAOYSA-N,3,1,0.633,84,884,436.447,4.21,5,0.397,0.61,1.0,0.6982043725584264,0.6704732369268728,0.8098742375436914,0.7949592214378727,0.7433777671167159
EOS-3-42126,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)nc1,UIMHRAQIAIGALD-UHFFFAOYSA-N,3,1,0.581,35,325,477.887,4.066,5,0.323,0.74,1.0,0.9651754506202453,0.9502433006647933,0.6720838187924063,0.6198769789596327,0.8018448872592694
EOS-3-42127,Cc1cnc(-c2ccc(F)c(-c3nnc4cncc(OCc5cccs5)n34)c2)cn1,WMOROQQNMHQGLZ-UHFFFAOYSA-N,3,1,0.585,4,71,418.457,4.336,5,0.423,0.71,1.0,0.7011428277705435,0.7680419436639024,0.5993249263244466,0.5512387773284901,0.6549371187718457
EOS-3-42128,Fc1cnccc1-c1ccnc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)c1,GWFZGOBLLMZWQS-UHFFFAOYSA-N,3,1,0.404,18,367,465.851,4.196,5,0.371,0.61,0.999,0.7197330546227126,0.6802395312178741,0.7825543143033377,0.8264855047632101,0.7522531012267837
EOS-3-42130,Cc1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(-c2ccccc2)n1,YGNLRWZHTPAZNE-UHFFFAOYSA-N,3,1,0.461,4,700,429.871,4.184,5,0.413,0.61,1.0,0.555753546706874,0.6511119868412035,0.4137482009457885,0.44548009046672604,0.5165234562401481
EOS-3-42132,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)nc1,OFYZZFAUBKDQBM-UHFFFAOYSA-N,3,1,0.5,24,583,464.316,4.572,5,0.34,0.7,1.0,0.8041086971420739,0.8056850113083408,0.602511822356247,0.6864676855595915,0.7246933040915633
EOS-3-42133,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ncco5)c4)n23)c1F,POCKWRGBTXNEST-UHFFFAOYSA-N,3,1,0.548,75,583,421.367,3.136,5,0.412,0.6,1.0,0.7497858268795833,0.4775460900555137,0.5800065108628607,0.5415752861352888,0.5872284284833116
EOS-3-42134,COc1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ncc1-c1csnn1,GCIOEQDTPPCUMY-UHFFFAOYSA-N,3,1,0.42,31,954,450.459,2.869,5,0.345,0.61,0.979,0.4321071208279076,0.4014032622849702,0.2096583510383113,0.17687272976492358,0.30501036597902814
EOS-3-42135,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)nn1,IIYXRMHDQSYUHX-UHFFFAOYSA-N,3,1,0.26,70,687,422.412,2.699,6,0.421,0.52,0.592,0.08835926255911178,0.045310465355356044,0.0992392570762799,0.10681241861421424,0.08493035090124049
EOS-3-42136,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(Oc5cc(F)ccc5F)n34)nc2)s1,MGBVAIWSMFSNCB-UHFFFAOYSA-N,3,1,0.422,13,573,436.447,4.997,5,0.395,0.73,1.0,0.5779932835309437,0.6129463367829484,0.6144798163251319,0.5895157974093619,0.5987338085120965
EOS-3-42137,Cc1cc(-c2nnc3cncc(OCCc4ccc(Oc5ccncc5)cn4)n23)ccc1Cl,HVIBJKSCVPOOPO-UHFFFAOYSA-N,3,1,0.567,11,275,458.909,4.957,5,0.34,0.74,1.0,0.8690117195531492,0.9101415255979713,0.7276488931533137,0.6864762524844082,0.7983195976972106
EOS-3-42138,Fc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2F)nc1,CTBHFUAHRDYPGO-UHFFFAOYSA-N,3,1,0.473,73,930,468.374,3.833,5,0.347,0.66,1.0,0.9186998834898225,0.8967342882598862,0.8035432801041738,0.7462219861558494,0.841299859502433
EOS-3-42139,CC#Cc1cc(F)c(COc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)cn1,BKEDVQWBSIFXBM-UHFFFAOYSA-N,3,1,0.381,18,160,442.479,4.399,5,0.376,0.64,1.0,0.6124323212939483,0.5003084092934,0.7431121924473991,0.6687941196628059,0.6311617606743883
EOS-3-42140,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ncccn6)s5)n34)cn2)nc1,PZSLQHQNLKVXAE-UHFFFAOYSA-N,3,1,0.506,28,297,465.502,3.741,6,0.362,0.66,1.0,0.3739377013227332,0.44210472208895896,0.10965663765334796,0.11147282571448153,0.2592929716948804
EOS-3-42141,Cc1nc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)ccc1-c1ccccn1,RYGMTNXEYWMQDL-UHFFFAOYSA-N,3,1,0.456,44,910,446.873,4.928,5,0.381,0.67,0.973,0.8197433349324926,0.8056935782331575,0.7973665273113563,0.8078010417380577,0.807651120553766
EOS-3-42142,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5F)cn4)n23)cn1,QNPVBFOLKMSJAT-UHFFFAOYSA-N,3,1,0.575,4,205,413.416,3.67,5,0.406,0.77,1.0,0.7011513946953601,0.7326091426221644,0.6319649098759509,0.547966212048523,0.6534229148104996
EOS-3-42143,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cc4F)n23)cc1,TYLIRGMSTIHXJU-UHFFFAOYSA-N,3,1,0.356,62,341,485.91,4.6,6,0.39,0.85,0.999,0.3320968405181276,0.35347988486053045,0.5636179836885752,0.6717240079501062,0.4802296792543348
EOS-3-42144,Cc1cnc(Cl)nc1-c1cc(COc2cncc3nnc(-c4cnc(F)nc4)n23)ncn1,WHZBHDBLEJJULV-UHFFFAOYSA-N,3,1,0.441,7,434,450.825,2.508,5,0.368,0.57,1.0,0.6893461722979919,0.6750993763278733,0.19894112809265985,0.19087965184017544,0.4385665821396751
EOS-3-42145,Cc1nc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)n(C)n1,UZMCMTCTVPWGFA-UHFFFAOYSA-N,3,1,0.476,31,466,414.433,1.702,5,0.408,0.66,1.0,0.28527859639503805,0.08544650812144472,0.027508395586320334,0.021494414365019532,0.10493197861695566
EOS-3-42146,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(C#N)n2)o1,YAEMNBDSPUCQOI-UHFFFAOYSA-N,3,1,0.441,20,658,425.412,2.433,5,0.398,0.53,1.0,0.4920156260708656,0.4467051607155096,0.13224761839490096,0.09851106846686314,0.29236986841203483
EOS-3-42147,COc1ccc(Cl)c(-c2nnc3cncc(Oc4ccc(-c5nnc6ccccn56)nc4)n23)c1,DXYMVSSPVDBLEI-UHFFFAOYSA-N,3,1,0.412,13,374,470.88,4.35,6,0.366,0.65,1.0,0.6679031594818724,0.6511205537660202,0.502681447467617,0.5214001781920362,0.5857763347268864
EOS-3-42148,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncn(-c5cnccn5)n4)n23)cn1,HCEUSYYVAWYUCO-UHFFFAOYSA-N,3,1,0.404,7,185,415.377,0.235,5,0.406,0.66,1.0,0.14322184908505242,0.13757624563086834,0.012987458022068398,0.005011651017750668,0.07469930093893495
EOS-3-42149,Cc1ccnc(-c2cnnc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)c2)n1,KTWVYLIAQUJOAS-UHFFFAOYSA-N,3,1,0.361,53,662,414.433,1.968,5,0.425,0.67,0.999,0.162523130697005,0.0978514152559797,0.03472174628195463,0.01633712562538551,0.07785835446508121
EOS-3-42150,Fc1cncc(-c2nnc3cncc(OCc4cc(-c5cncc(C(F)F)n5)ncn4)n23)c1,MXWGPXJCAYHGBP-UHFFFAOYSA-N,3,1,0.442,7,354,451.372,3.089,5,0.384,0.52,1.0,0.5724504831745597,0.689988691659242,0.6443269823864026,0.5740010965663765,0.6201918134466452
EOS-3-42152,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncn(-c5ncc(Cl)cn5)n4)n23)cc1,XKISXVQNOANGNM-UHFFFAOYSA-N,3,1,0.292,39,356,472.835,2.474,6,0.376,0.55,0.718,0.027859639503803716,0.1527054348571037,0.07572304845452676,0.2020423548762936,0.11458261942293194
EOS-3-42153,Cn1ccnc1-c1ccnc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)s4)n23)c1,PKZDDPKNUHWHGV-UHFFFAOYSA-N,3,1,0.44,27,52,457.441,4.246,5,0.393,0.64,1.0,0.5403416489616887,0.5048917140703173,0.8500445480090467,0.6864848194092249,0.6454406826125694
EOS-3-42154,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccnn6C)n5)n34)nc2)cn1C,KJQVJBLUFNNZIK-UHFFFAOYSA-N,3,1,0.235,99,813,450.47,2.148,6,0.396,0.49,0.713,0.06931498869165924,0.035038722500171336,0.04018744431498869,0.02666027002947022,0.04280035638407237
EOS-3-42155,Cc1cccc(-c2cc(F)c(-c3nnc4cncc(Cc5cnc(C(F)(F)F)cn5)n34)cn2)c1,CSCRJXHXBHFQNB-UHFFFAOYSA-N,3,1,0.343,85,81,465.414,4.7,5,0.358,0.69,1.0,0.42549345486944007,0.5791498183811938,0.942695839901309,0.894909533273936,0.7105621616064697
EOS-3-42156,Cc1cnc(Cl)c(COc2nc(-c3cncc4nnc(-c5cncn5C)n34)n(C)n2)c1,GZJDTSAXNJJIMH-UHFFFAOYSA-N,3,1,0.243,31,105,436.867,2.256,5,0.385,0.59,0.531,0.1432304160098691,0.09483585772051265,0.03879960249468851,0.04268898636145569,0.07988871564663148
EOS-3-42157,Cc1c(-c2ccc(-c3nnc4cncc(-c5ccc(CN(C)C)c(F)c5F)n34)cc2F)cnn1C,HKRSRFFZESYWAF-UHFFFAOYSA-N,3,1,0.318,61,648,477.494,4.646,5,0.369,0.76,1.0,0.29895140840243983,0.41072407648550474,0.8871478993900349,0.8057878144061408,0.60065279967103
EOS-3-42158,Fc1cc(-c2nccs2)ncc1-c1nnc2cncc(-c3ccc(-c4ccccn4)cc3)n12,WEBOTRYOWQNVOE-UHFFFAOYSA-N,3,1,0.329,32,20,451.49,5.178,6,0.367,0.73,1.0,0.19583133438420944,0.41073264341032145,0.6085172366527312,0.6516517031046536,0.4666832293879789
EOS-3-42159,Fc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)c1,FWUOAWGUNUQADG-UHFFFAOYSA-N,3,1,0.447,18,873,449.837,2.847,5,0.36,0.55,0.997,0.7197416215475293,0.6511291206908368,0.31808135151805905,0.38893838667671854,0.519472620108286
EOS-3-42160,CCn1nc(-c2nnnn2C)cc1COc1cncc2nnc(-c3ccc(C)nn3)n12,GCXQCXCRYPRGTC-UHFFFAOYSA-N,3,1,0.347,53,105,418.425,0.876,5,0.39,0.65,0.995,0.0770423548762936,0.06421766842574189,0.002407305873483654,0.000539716263450072,0.0360517613597423
EOS-3-42161,Cn1cc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)n2)nn1,XLSYZDRRRWTVSX-UHFFFAOYSA-N,3,1,0.379,80,816,472.498,1.813,6,0.352,0.63,1.0,0.1542474813241039,0.21776266191487903,0.008078610102117743,0.004429100130217257,0.09612946336782949
EOS-3-42162,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,RDOYZJJWHWDFNP-UHFFFAOYSA-N,3,1,0.352,25,213,480.467,3.254,6,0.342,0.72,1.0,0.2372524158727983,0.31494585703515865,0.3779041875128504,0.34696045507504625,0.31926572887396343
EOS-3-42163,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)cc2)nc1,WBSMKKXSMIDVQJ-UHFFFAOYSA-N,3,1,0.662,13,374,464.407,5.09,5,0.346,0.78,1.0,0.9678311973134124,0.9716006442327462,0.9263330135014735,0.8868223562470016,0.9381468028236584
EOS-3-42164,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)n(C)n4)n23)n(C)n1,XQTQJWOHCJNWRF-UHFFFAOYSA-N,3,1,0.387,53,662,419.424,2.347,5,0.431,0.61,1.0,0.31710472208895896,0.27909327667740386,0.11530224110753204,0.09248852032074567,0.20099719004866012
EOS-3-42165,c1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccncn6)o5)n34)s2)nc1,YUPQVESPIDOXQD-UHFFFAOYSA-N,3,1,0.298,76,368,424.449,4.027,6,0.417,0.58,1.0,0.11595332739359879,0.09164039476389556,0.17903159481872388,0.205049345486944,0.14791866561579056
EOS-3-42166,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nn1,FWUWPMIANILGMJ-UHFFFAOYSA-N,3,1,0.314,3,783,468.883,4.894,6,0.366,0.7,1.0,0.037908642313755056,0.2637584812555685,0.7591152080049346,0.8406380645603454,0.4753550990336509
EOS-3-42167,Cc1cc(COc2cncc3nnc(-c4cc(Br)c(F)cc4C)n23)c(F)cc1F,ZGNQBIZGWLMBCZ-UHFFFAOYSA-N,3,1,0.532,23,627,463.257,5.167,4,0.419,0.73,0.999,0.9315931053389076,0.8919368103625522,0.9827462134192311,0.97501028030978,0.9453216023576176
EOS-3-42168,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)n1,JHUMGOIOLANNMV-UHFFFAOYSA-N,3,1,0.56,88,80,466.879,4.745,5,0.361,0.74,1.0,0.6348433966143513,0.7932972380234391,0.8337416900829279,0.8783239668288672,0.7850515728873964
EOS-3-42169,COc1nc(C(F)F)ccc1COc1cncc2nnc(-c3cccc(-c4cncn4C)c3)n12,IEDNDFDLUSCPRJ-UHFFFAOYSA-N,3,1,0.462,27,506,463.448,4.112,5,0.359,0.67,0.999,0.5897042697553286,0.4421132890137756,0.7378521006099651,0.5316547871975875,0.5753311116441643
EOS-3-42170,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)ncn2)n(C)n1,WYIBVPXFYSXBPY-UHFFFAOYSA-N,3,1,0.473,4,463,446.902,3.831,5,0.404,0.58,1.0,0.39437838393530256,0.5690579809471592,0.40716023576177096,0.3664073744088822,0.43425099376327875
EOS-3-42171,Cc1nc(C)nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)n1,YURCGLPIRPQVCH-UHFFFAOYSA-N,3,1,0.426,7,354,446.862,2.678,5,0.371,0.53,1.0,0.5170824480844356,0.732617709546981,0.08232814748817764,0.08498389418134467,0.35425304982523476
EOS-3-42172,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC5CCOC(C)(C)C5)nc4)n23)cn1,DUCPCTYQNYSCLQ-UHFFFAOYSA-N,3,1,0.306,63,66,459.51,2.944,5,0.484,0.55,0.999,0.31196456719895826,0.11670721677746557,0.15046090055513672,0.10468782125968062,0.1709551264478103
EOS-3-42173,CCOC(C)c1nc(-c2cncc3nnc(-c4cccc(C(F)(F)F)n4)n23)nc(C2CC2)n1,BKLDLXUDDQSADY-UHFFFAOYSA-N,3,1,0.275,78,792,456.432,4.032,5,0.428,0.58,0.005,0.329715235419094,0.38238468919196766,0.18220992392570762,0.18268967171544104,0.2692498800630526
EOS-3-42174,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)cnc5F)cnn4)n23)cc1,IAYHTQFJIAHAKL-UHFFFAOYSA-N,3,1,0.478,89,534,427.443,3.978,5,0.392,0.61,1.0,0.7165461585909122,0.6899972585840587,0.6443355493112193,0.5610479062435748,0.6529817181824412
EOS-3-42175,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)nc2C)cc1F,IXBQTZKUJQSAJG-UHFFFAOYSA-N,3,1,0.383,13,251,447.861,4.845,5,0.389,0.65,1.0,0.5724590500993764,0.6177438146802824,0.5896100335823453,0.6198855458844493,0.5999246110616133
EOS-3-42176,Cc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)c(Cl)c3)n12,GUNVBPGNNNBLIQ-UHFFFAOYSA-N,3,1,0.565,35,619,449.927,4.288,5,0.382,0.63,1.0,0.572467617024193,0.67510794325269,0.5062452881913508,0.5316633541224042,0.5713710506476595
EOS-3-42177,COc1nc(-c2nnc3cncc(OCc4cc(C)cnc4Cl)n23)ccc1-c1ccccn1,LPBVSXTZDCVVLM-UHFFFAOYSA-N,3,1,0.412,49,501,459.897,4.193,5,0.348,0.67,0.999,0.6407288739634021,0.522976492358303,0.41762901788773904,0.3469690219998629,0.4820758515523268
EOS-3-42179,CCn1ncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cccnc5)c4)n23)c1Cl,BAZSMCSEJOJGMF-UHFFFAOYSA-N,3,1,0.54,35,545,463.904,4.484,5,0.354,0.72,1.0,0.537831539990405,0.6265334795421835,0.5505876910424234,0.6281697621821671,0.5857806181892948
EOS-3-42180,CCn1c(COc2cncc3nnc(-c4ccc(-c5cn(C)cn5)nc4OC)n23)cnc1C,QXJSGEKGXIQYAG-UHFFFAOYSA-N,3,1,0.411,31,456,445.487,2.699,5,0.376,0.57,1.0,0.2556713042286341,0.18111335754917415,0.04019601123980536,0.0112569392091015,0.12205940305667878
EOS-3-42181,Cc1ccnc(-c2cc(F)cc(COc3cncc4nnc(-c5ccncc5)n34)c2)c1,AFNQKEVXWJUWNI-UHFFFAOYSA-N,3,1,0.53,97,183,412.428,4.275,5,0.429,0.77,1.0,0.7348022753752314,0.6409858817079022,0.809882804468508,0.7563823589884175,0.7355133301350149
EOS-3-42182,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)cn1,HVCFFXJZDZHOTD-UHFFFAOYSA-N,3,1,0.578,1,521,412.428,4.275,5,0.429,0.77,1.0,0.822467617024193,0.7420156260708656,0.752578644369817,0.7117315468439449,0.7571983585772051
EOS-3-42183,Cc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)cn5)c4)n23)nn1,XPQAGALQFFMTGI-UHFFFAOYSA-N,3,1,0.461,2,422,414.404,3.065,5,0.432,0.66,1.0,0.5278082379549037,0.5229850592831198,0.4033907888424371,0.36641594133369887,0.4551500068535399
EOS-3-42184,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(F)n4)n23)n1,VYQYAQSDGKSNEV-UHFFFAOYSA-N,3,1,0.418,58,814,466.839,3.591,5,0.35,0.62,1.0,0.8197519018573093,0.8210626413542594,0.45429545610307726,0.5149407168802687,0.6525126790487287
EOS-3-42185,Fc1cnc(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c(Cl)c1,IFWAFMPUQGKMEO-UHFFFAOYSA-N,3,1,0.458,87,307,453.89,4.119,5,0.382,0.63,1.0,0.6650418065931053,0.7095726817901447,0.4543040230278939,0.5281851826468371,0.5892759235144953
EOS-3-42186,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3cc(-c4nnco4)ncn3)n12,DATJAFSDUDHQDC-UHFFFAOYSA-N,3,1,0.319,98,841,453.426,2.102,6,0.378,0.55,1.0,0.23726098279761496,0.06422623535055856,0.08989274210129532,0.0635237475155918,0.11372592694126517
EOS-3-42187,Fc1cc(-c2cc(CCc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ncn2)ccn1,DOKRWFDYPMQYBY-UHFFFAOYSA-N,3,1,0.566,14,886,463.423,4.169,5,0.335,0.69,1.0,0.8489908162565966,0.9035963950380371,0.8465406757590296,0.8206257281886095,0.8549384038105682
EOS-3-42188,Cc1cccc(NC(=O)c2ccc(-c3nnc4cncc(-c5ncc(-c6nnnn6C)cn5)n34)cc2)c1,ZDAJVKCXFFFNNC-UHFFFAOYSA-N,3,1,0.365,62,654,489.503,3.0,6,0.387,0.82,1.0,0.05296929614145706,0.04164382153382222,0.1017150983482969,0.07430093893495991,0.06765728873963402
EOS-3-42189,Fc1ccc(Cc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ccn4)n23)c(F)c1,NADYMSBXGFWNCH-UHFFFAOYSA-N,3,1,0.354,45,358,451.839,5.515,5,0.361,0.79,0.999,0.40934480159002123,0.5985196353916798,0.9819580563360976,0.9907048865739154,0.7451318449729285
EOS-3-42190,Cn1nnc(-c2cnc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NCC(F)F)cn5)n34)c2)n1,MDMGFGYQDFSTDR-UHFFFAOYSA-N,3,1,0.288,50,542,481.402,1.573,5,0.358,0.65,0.879,0.20979542183537797,0.27397025563703653,0.23080152148584743,0.19364676855595916,0.22705349187855528
EOS-3-42191,Cc1cc(-c2ncc(Cl)cc2-c2nnc3cncc(-c4cnn(-c5cccnn5)c4)n23)ccn1,QUSITCYZJWCHKE-UHFFFAOYSA-N,3,1,0.296,10,151,466.896,3.853,6,0.385,0.61,0.799,0.011591049276951546,0.1137687615653485,0.35516756904941404,0.4011205537660201,0.22041198341443358
EOS-3-42192,c1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)o2)nc1,BBRICLKPAXUCHX-UHFFFAOYSA-N,3,1,0.31,38,126,423.461,4.632,6,0.408,0.66,1.0,0.11596189431841546,0.16432218490850525,0.4071688026865876,0.4039562058803372,0.2728522719484614
EOS-3-42193,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)ncc1Cl,SULQUMMWOHOSHV-UHFFFAOYSA-N,3,1,0.575,24,199,439.863,4.076,5,0.407,0.62,1.0,0.6264392433692002,0.6704818038516894,0.5771537248989103,0.6014580906037968,0.6188832156808992
EOS-3-42194,Cc1nccc(COc2cncc3nnc(-c4cccc(-c5ccncn5)c4)n23)c1F,DHLCCYSAKTYPSS-UHFFFAOYSA-N,3,1,0.457,97,606,413.416,3.67,5,0.434,0.69,1.0,0.8066959084367076,0.6081145911863477,0.6692824343773559,0.5835103831128778,0.6669008292783223
EOS-3-42195,CCc1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1cncn1C,OTLZPONWRRUZIR-UHFFFAOYSA-N,3,1,0.388,46,564,448.437,3.401,5,0.393,0.54,0.771,0.5096120896443013,0.41547015283393873,0.4991261736686999,0.43607360701802483,0.4650705057912412
EOS-3-42196,Clc1ccc(OCc2cncc3nnc(-c4cccc(-c5nncs5)c4)n23)cc1Cl,HLZYKJGNEURGNO-UHFFFAOYSA-N,3,1,0.453,14,189,455.33,5.196,5,0.363,0.77,1.0,0.4508943869508601,0.6129549037077651,0.797375094236173,0.8548505928311974,0.6790187444314989
EOS-3-42197,Fc1cccc(-c2nncnc2COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,ZGDXLBBHHMJDGX-UHFFFAOYSA-N,3,1,0.5,34,10,452.812,3.549,5,0.373,0.57,1.0,0.8094030566787745,0.9302823658419573,0.5771622918237269,0.70048317455966,0.7543327222260297
EOS-3-42199,COc1cc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)ccc1-c1cccnc1,ASCBWXPVXDHYBL-UHFFFAOYSA-N,3,1,0.516,27,83,461.432,4.169,5,0.356,0.63,1.0,0.6619834144335549,0.6409944486327188,0.6913165650058255,0.5281937495716538,0.6306220444109383
EOS-3-42200,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)nc5)n34)n2)cc1,HYDBTCQAILTBNK-UHFFFAOYSA-N,3,1,0.341,3,118,468.883,4.894,6,0.366,0.71,0.949,0.026685970803920225,0.25847268864368445,0.7092985401960112,0.8206342951134261,0.4537728736892605
EOS-3-42201,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)cnc4Cl)n23)cn1,OTCJRBVIVKPACJ-UHFFFAOYSA-N,3,1,0.483,65,349,433.863,2.652,5,0.376,0.57,1.0,0.44367246933040916,0.4908505242957988,0.3104139538071414,0.3092916866561579,0.3885571585223768
EOS-3-42202,Cc1cc(OCc2cncc3nnc(-c4cc(C#N)cc(-c5cccnc5)c4)n23)ccc1Cl,DURCWXKUFQHBIF-UHFFFAOYSA-N,3,1,0.424,14,189,452.905,5.266,5,0.361,0.78,1.0,0.64952710575012,0.6314851620862175,0.9335806318963745,0.9276780206976903,0.7855677301076006
EOS-3-42203,Cc1ncc(-c2cc(F)nc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)o1,HNOYQLCBPVVEHZ-UHFFFAOYSA-N,3,1,0.578,84,308,452.396,4.189,5,0.357,0.63,1.0,0.8734750873826331,0.6460232335001028,0.837168460009595,0.7903245151120554,0.7867478240010966
EOS-3-42204,CCc1cccc(-c2cc(F)ccc2-c2nnc3cncc(-c4nnc(-c5cncnc5)[nH]4)n23)n1,QXMCNANIFNBSPO-UHFFFAOYSA-N,3,1,0.289,94,407,464.468,3.797,6,0.409,0.56,0.285,0.23726954972243164,0.3389589472962785,0.33282502912754436,0.3664245082585155,0.3188695086011925
EOS-3-42205,Cc1cnc(-c2cc(CF)nc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c2)cn1,LQZCSDXWLUZPEG-UHFFFAOYSA-N,3,1,0.41,18,720,460.448,3.577,5,0.363,0.57,0.99,0.5780018504557604,0.48625008566924816,0.42853471317935715,0.3824446576656843,0.4688078267425125
EOS-3-42206,Cn1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)cc1=O,BCUMEKNSGHTAPB-UHFFFAOYSA-N,3,1,0.478,19,752,477.887,3.361,5,0.369,0.66,1.0,0.4531646220272771,0.3488194777602632,0.6829723802343911,0.7058889041189774,0.5477113460352272
EOS-3-42207,Cc1cncc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cn(C)cn5)cn4)n23)c1,DZXKFYTWCMHYQB-UHFFFAOYSA-N,3,1,0.277,86,392,451.519,4.081,6,0.398,0.61,1.0,0.060079843739291344,0.06782434377355905,0.20607737646494415,0.1989325611678432,0.13322853128640944
EOS-3-42208,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)c(F)c6)cc5)n34)cn2)cn1,IDEXNTUEOSCCND-UHFFFAOYSA-N,3,1,0.381,69,774,465.467,5.199,6,0.358,0.77,1.0,0.20980398876019465,0.3915341648961689,0.9209015831677061,0.9138938386676718,0.6090333938729353
EOS-3-42209,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)c(F)cn5)n34)c(F)c2)nn1C,ZPTNEYIGXJQDCG-UHFFFAOYSA-N,3,1,0.483,4,469,467.867,4.406,5,0.381,0.66,1.0,0.5750291275443766,0.6900058255088753,0.8137807552600919,0.790333082036872,0.7172871975875539
EOS-3-42210,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)c(Cl)c1,SUGMSQOREWJCNU-UHFFFAOYSA-N,3,1,0.563,84,884,464.863,4.801,5,0.359,0.71,1.0,0.877450140497567,0.9141080117880885,0.90001542046467,0.9182801041738058,0.9024634192310328
EOS-3-42211,Fc1ccc(-c2cccnc2COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,MEAYATPCJYGLME-UHFFFAOYSA-N,3,1,0.56,59,71,450.836,4.759,5,0.359,0.7,1.0,0.920027756836406,0.968173874306079,0.9237543691316565,0.9309591529024741,0.9357287882941538
EOS-3-42212,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc2F)cn1,LNRPBAIBDPFWCX-UHFFFAOYSA-N,3,1,0.561,97,31,450.836,4.759,5,0.359,0.7,1.0,0.8466520457816462,0.9011034199163868,0.9228548420259064,0.9297940511274073,0.9001010897128368
EOS-3-42213,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ncc(-c6ncccn6)cc5F)n34)cc2)n(C)n1,SNLYOETWIQHVAW-UHFFFAOYSA-N,3,1,0.396,56,608,480.467,3.679,6,0.364,0.74,1.0,0.45317318895209374,0.4862586525940648,0.19215612363785894,0.1583767390857378,0.3224911760674388
EOS-3-42214,Fc1ccc(-c2nccn2Cc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)cc1,MPYXGPCDSGLJHZ-UHFFFAOYSA-N,3,1,0.324,41,414,466.455,4.438,6,0.349,0.66,1.0,0.3579175519155644,0.3727468987732164,0.7093071071208279,0.7589610033582346,0.5497331402919607
EOS-3-42215,Clc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nn2)n1,KYLSCSYVNGWBGG-UHFFFAOYSA-N,3,1,0.375,42,167,469.921,4.482,6,0.372,0.65,1.0,0.15707456651360427,0.3149544239599753,0.33283359605236107,0.4736738400383798,0.3196341066410801
EOS-3-42216,N#Cc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(F)c1,AZKQVXZRNLDOFY-UHFFFAOYSA-N,3,1,0.506,4,401,458.844,3.886,5,0.389,0.59,0.994,0.7957473785210061,0.8943698170104859,0.7754951682544033,0.7789133712562538,0.8111314337605373
EOS-3-42217,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)s4)n23)cc1,QYZYOGHVVQLONE-UHFFFAOYSA-N,3,1,0.518,97,744,418.457,4.336,5,0.395,0.74,1.0,0.7165547255157289,0.7680505105887191,0.5603111507093413,0.52468131039682,0.6423994243026523
EOS-3-42219,Cc1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)nc1C,JVWCRKKBLKRHQU-UHFFFAOYSA-N,3,1,0.4,74,315,447.424,4.946,5,0.389,0.64,1.0,0.4461740113768762,0.4685679528476458,0.9444691933383592,0.8797118086491673,0.6847307415530122
EOS-3-42220,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)c(F)c4)n23)c(Cl)c1,ASMWUIVZFCVKBE-UHFFFAOYSA-N,3,1,0.562,43,909,452.902,4.99,5,0.374,0.74,1.0,0.6555753546706874,0.7634243711877184,0.8434137482009458,0.8599993146460146,0.7806031971763415
EOS-3-42221,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5cncn5C)ncc4F)n23)cn1,MGLXQANLGHMIMC-UHFFFAOYSA-N,3,1,0.398,7,828,417.408,2.403,5,0.429,0.58,1.0,0.5668819820437255,0.4154787197587554,0.2888767048180385,0.2195017476526626,0.3726847885682955
EOS-3-42222,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nc5)s4)n23)cn1,ODGBYQGPYBQXFI-UHFFFAOYSA-N,3,1,0.512,4,205,419.445,3.731,5,0.401,0.69,1.0,0.5278168048797204,0.6460318004249195,0.39624597354533614,0.3469775889246796,0.47926804194366385
EOS-3-42223,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1,ALTDQXUFXZKCRG-UHFFFAOYSA-N,3,1,0.603,15,669,415.432,3.347,5,0.396,0.69,1.0,0.9359622369954081,0.8015300527722569,0.5405301213076554,0.4705726132547461,0.6871487560825167
EOS-3-42224,CCn1cc(COc2cncc3nnc(-c4cncc(-c5cnc(C)cn5)c4)n23)nn1,ZXRPIGGFLLCNHD-UHFFFAOYSA-N,3,1,0.437,92,36,414.433,2.142,5,0.411,0.67,1.0,0.06354088136522514,0.10778904804331438,0.04166952230827222,0.02771400178192036,0.060178363374683026
EOS-3-42225,Fc1ccc(-c2ncsc2COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,NZHSTSFPSAQIDI-UHFFFAOYSA-N,3,1,0.561,59,89,456.865,4.82,5,0.353,0.78,1.0,0.9132084846823384,0.9407939825920087,0.8354122404221781,0.8698084435610993,0.8898057878144061
EOS-3-42226,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cn(C)nc4C)n23)c(OC)c1,ZIPAJAGCKGSCEG-UHFFFAOYSA-N,3,1,0.5,36,460,459.514,2.742,5,0.348,0.61,1.0,0.15708313343842095,0.07847303132067714,0.0572698923994243,0.023918854088136522,0.07918622781166473
EOS-3-42227,Cc1ncc(-c2nnc3cncc(-c4nnc(-c5cn(C)nc5C)nn4)n23)c(-c2ccc(F)cc2)n1,IMRADMDYCPDUHC-UHFFFAOYSA-N,3,1,0.337,8,507,480.471,2.652,6,0.37,0.65,0.943,0.12972037557398397,0.2486121581796998,0.04461654444520595,0.07242478240010966,0.12384346514974987
EOS-3-42228,Oc1c(F)cccc1COc1cncc2nnc(-c3cc(-c4ccsc4)ccn3)n12,MRUWLIJDJFXEIT-UHFFFAOYSA-N,3,1,0.443,97,160,419.441,4.339,5,0.456,0.65,1.0,0.7011599616201768,0.5506904941402234,0.7639555205263519,0.7330803234870811,0.6872215749434583
EOS-3-42229,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cnsc5)ccn4)n23)cc1,NWFYVEPNXXAQEJ-UHFFFAOYSA-N,3,1,0.61,97,744,420.885,4.542,5,0.415,0.65,1.0,0.652516962511137,0.8524775546569804,0.7068655335480776,0.7462305530806662,0.7395226509492153
EOS-3-42230,Fc1cnc(-c2ccc(Cl)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,KCHXJFWRBPLGHA-UHFFFAOYSA-N,3,1,0.404,54,915,469.267,4.063,5,0.38,0.59,1.0,0.7957559454458227,0.82496915907066,0.6803937358645741,0.7642467959701186,0.7663414090877939
EOS-3-42231,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nc(C)c(F)[nH]5)nc4)n23)n(C)n1,RGNXQPXHHJJION-UHFFFAOYSA-N,3,1,0.404,92,662,419.424,2.645,5,0.466,0.63,0.999,0.3416061270646289,0.4107412103351381,0.14438695086011924,0.09058666301144541,0.24683023781783292
EOS-3-42232,Clc1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(-c5cc[nH]n5)n4)n23)nc1,YXDMJDBKULPLMW-UHFFFAOYSA-N,3,1,0.38,31,814,454.281,3.295,5,0.388,0.54,0.98,0.598202659173463,0.685062709889658,0.19894969501747653,0.3244037420327599,0.45165470152833936
EOS-3-42233,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1Cl,VHPIWTXVRFFULH-UHFFFAOYSA-N,3,1,0.517,16,772,454.828,3.492,5,0.375,0.56,0.994,0.7557398396271674,0.8426255911178123,0.7018110479062436,0.727486121581797,0.756915650058255
EOS-3-42234,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(C)n4)n23)n(C)n1,BRKVLHWDYXPYTF-UHFFFAOYSA-N,3,1,0.37,31,662,415.461,2.516,5,0.435,0.65,0.784,0.1789116578712905,0.12725310122678363,0.08733979850592831,0.03904804331437187,0.1081381502295936
EOS-3-42235,Cc1nc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1cnn(C)c1,FYFYMTILWOMTFW-UHFFFAOYSA-N,3,1,0.404,46,128,450.865,3.662,5,0.403,0.55,1.0,0.40282537180453704,0.44671372764032624,0.5201322733191693,0.49167294907819886,0.46533608046055785
EOS-3-42236,Fc1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5conn5)s4)n23)cc1Cl,KKFGJYKBTBOBLV-UHFFFAOYSA-N,3,1,0.378,22,487,430.827,4.425,5,0.419,0.58,1.0,0.36015351929271466,0.5411469398944555,0.7639640874511685,0.8565125762456308,0.6304442807209923
EOS-3-42237,Fc1ccc(COc2cncc3nnc(-c4cnnc(-c5ccccc5F)c4)n23)cn1,WGEDJXPVLBDEPD-UHFFFAOYSA-N,3,1,0.494,43,992,417.379,3.501,5,0.404,0.66,1.0,0.731975190185731,0.6850712768144747,0.7802241107532041,0.7856298403125214,0.7457251045164828
EOS-3-42238,COc1cc(-c2ccnn2C)ccc1-c1nnc2cncc(OCCc3cncc(Cl)n3)n12,KEFNGCYYNRWDHJ-UHFFFAOYSA-N,3,1,0.479,20,279,462.901,3.265,5,0.363,0.6,1.0,0.472200328969913,0.40141182920978685,0.32165375916660954,0.25783873620725106,0.3632761633883901
EOS-3-42239,CCn1nc(C)c(-c2cncc3nnc(-c4ccc(C(=O)OC)cn4)n23)c1-c1ccccc1C,WUUNLJZAMMHJBR-UHFFFAOYSA-N,3,1,0.282,52,523,453.506,4.14,5,0.369,0.67,0.995,0.037917209238571725,0.024270098005619904,0.09212014255362895,0.05602768830100747,0.05258378452470701
EOS-3-42240,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)s5)n34)ccc2F)nn1,HCWHXEFNBSCEIC-UHFFFAOYSA-N,3,1,0.516,37,563,467.917,4.427,5,0.365,0.7,1.0,0.767613597423069,0.8391388527174286,0.39992118429168666,0.4643187581385786,0.6177480981426907
EOS-3-42241,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)cc1F,XGAODYCADLDGLV-UHFFFAOYSA-N,3,1,0.5,44,130,465.851,4.196,5,0.347,0.66,1.0,0.9053611815502707,0.8459923925707628,0.8465492426838462,0.8648567610170653,0.8656898944554863
EOS-3-42242,Fc1cnc(-c2sc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cc2F)nc1,XOAKICAJRKVRJZ-UHFFFAOYSA-N,3,1,0.411,73,775,457.853,4.215,5,0.39,0.63,1.0,0.7074652182852443,0.7806010554451374,0.520140840243986,0.619894112809266,0.6570253066959084
EOS-3-42243,Fc1cc(Cl)cc(-c2nnc3cncc(OCc4ncccc4-c4ccccc4)n23)c1,APUCRVHWDQKNEE-UHFFFAOYSA-N,3,1,0.736,57,962,431.858,5.225,5,0.381,0.76,1.0,0.6740970461243232,0.8287728736892606,0.8824960592145843,0.9106812418614214,0.8240118052223974
EOS-3-42244,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)ccc2Cl)nc1,ZBQOEYMMMXIYCM-UHFFFAOYSA-N,3,1,0.537,73,82,469.267,4.063,5,0.355,0.65,1.0,0.9753101226783634,0.9695274484271126,0.6938181070522925,0.7462391200054829,0.8462236995408129
EOS-3-42245,Fc1ccc(-n2nccn2)c(COc2cncc3nnc(-c4cc(-c5ccon5)ccn4)n23)c1,JYMQGEJUFSWPMS-UHFFFAOYSA-N,3,1,0.406,6,181,455.413,3.14,6,0.373,0.58,1.0,0.35079843739291344,0.17686416284010692,0.3852032074566514,0.3760194640531835,0.3222213179357138
EOS-3-42246,Fc1cnccc1-c1cccc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,MRLVFRGHOOVKAL-UHFFFAOYSA-N,3,1,0.583,35,234,412.428,4.009,5,0.419,0.78,1.0,0.8578061818929477,0.8133524090192584,0.7525872112946337,0.7409361935439654,0.7911704989377013
EOS-3-42247,O=c1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cn2)n[nH]1,UNPOFWNZXLNYQB-UHFFFAOYSA-N,3,1,0.436,55,283,452.797,1.493,5,0.388,0.58,0.887,0.6179922554999657,0.504900280995134,0.2308100884106641,0.2846189431841546,0.4095803920224796
EOS-3-42248,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnn4C)n23)cn1,NYUJRRRUWQAILK-UHFFFAOYSA-N,3,1,0.443,92,986,415.461,2.425,5,0.402,0.68,1.0,0.2639212528270852,0.15271400178192035,0.049868069357823314,0.02866493043657049,0.12379206360084982
EOS-3-42249,Cn1nc(-c2nnc(CO)n2C)cc1COc1cncc2nnc(-c3ccncc3F)n12,ZQKQKSDQDLXDJI-UHFFFAOYSA-N,3,1,0.421,92,105,436.411,0.926,5,0.412,0.57,0.921,0.3693629634706326,0.44212185593859227,0.023370570899869783,0.02666883695428689,0.21538105681584538
EOS-3-42250,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)n(C)n1,XIEJEFLKYVYQTF-UHFFFAOYSA-N,3,1,0.467,36,292,456.297,3.902,5,0.395,0.62,1.0,0.5251267904872867,0.7000034267699267,0.24155301213076555,0.35979370845041464,0.4566192344595984
EOS-3-42251,Cn1nccc1-c1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(F)c1,CUPQUCHRYNDGKQ-UHFFFAOYSA-N,3,1,0.537,43,138,450.424,4.848,5,0.37,0.69,1.0,0.8793177301076006,0.737363785895415,0.9666489616887122,0.9419162497429923,0.8813116818586801
EOS-3-42252,CCn1ccnc1-c1ncccc1-c1nnc2cncc(-c3nncc(-c4ccccc4F)n3)n12,UODFUYJXBPVXEM-UHFFFAOYSA-N,3,1,0.308,10,77,464.468,3.728,6,0.379,0.56,0.986,0.11597046124323213,0.20797066684942772,0.15354499348913714,0.23130697005003084,0.17719827290795695
EOS-3-42253,COc1nc(C)ccc1-c1nnc2cncc(OCc3ccc(F)c(-c4cnc(C)nc4)n3)n12,AMMNXRXXLXNIOZ-UHFFFAOYSA-N,3,1,0.447,4,567,458.457,3.382,5,0.378,0.58,0.98,0.5897128366801453,0.5411555068192722,0.270012336371736,0.14787368926050304,0.3871885922829141
EOS-3-42254,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cn5)n34)cnn2)cn1,VXNKJBRDJBIMLN-UHFFFAOYSA-N,3,1,0.25,86,967,433.439,2.501,6,0.412,0.48,1.0,0.02669453772873689,0.015043519978068673,0.28162908642313755,0.2638698512781852,0.14680924885203206
EOS-3-42255,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cn1,LDBPBOKKXICXPQ-UHFFFAOYSA-N,3,1,0.402,27,243,438.373,3.851,5,0.385,0.57,0.998,0.6436073607018025,0.7000119936947433,0.6992581043108765,0.5895243643341787,0.6581004557604002
EOS-3-42256,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)cc1,PTEAHMTZPUIKEU-UHFFFAOYSA-N,3,1,0.333,64,885,451.49,5.178,6,0.367,0.74,1.0,0.2507538893838668,0.36803509012404906,0.6349204989377013,0.7144472620108286,0.49203918511411143
EOS-3-42257,Cn1nc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cc1-c1nnc2ccccc2n1,QEBHKGDPENDZJE-UHFFFAOYSA-N,3,1,0.274,30,465,472.472,3.852,7,0.375,0.63,1.0,0.16524741278870536,0.11089884175176479,0.17904016174354054,0.2313155369748475,0.17162548831471455
EOS-3-42258,Cn1ncc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1-c1ccccc1Cl,HNRTTXVBJVTSHO-UHFFFAOYSA-N,3,1,0.494,96,121,452.852,5.114,5,0.37,0.75,1.0,0.32694811870331025,0.6081231581111645,0.9369902679734082,0.9459512713316428,0.7045032040298814
EOS-3-42259,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nn2)n1,ZFVOTXCCAIIIKO-UHFFFAOYSA-N,3,1,0.343,38,787,457.91,4.211,6,0.365,0.63,1.0,0.023233500102803097,0.14878178329106984,0.34749160441367966,0.45816770612021107,0.24441864848194092
EOS-3-42260,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(Cl)cs4)n23)cc1Cl,UHKMUIZELPCNBD-UHFFFAOYSA-N,3,1,0.511,36,610,473.349,4.412,5,0.36,0.77,1.0,0.3853745459529847,0.5737869234459598,0.1822184908505243,0.3026951545473237,0.36101877869919813
EOS-3-42261,Cn1nc(-c2nnc3cncc(OCc4ccc(CO)nc4)n23)cc1-c1ncccn1,WHUIEVYWEAXVKP-UHFFFAOYSA-N,3,1,0.489,31,694,415.417,1.448,5,0.438,0.7,1.0,0.20701117126996094,0.06783291069837571,0.08233671441299431,0.054597011856623946,0.10294445205948873
EOS-3-42262,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5cccs5)s4)n23)cc1,BTQSMQJKHVTSQA-UHFFFAOYSA-N,3,1,0.325,39,176,458.507,4.634,6,0.38,0.68,0.716,0.19044273867452538,0.32027448427112604,0.1472483037488863,0.2846275101089713,0.23564825920087723
EOS-3-42263,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cn4)n23)nc1,QTJVRFBODSUJKJ-UHFFFAOYSA-N,3,1,0.265,70,114,418.424,3.095,6,0.463,0.57,0.7,0.09559831402919608,0.11377732849016517,0.1504694674799534,0.19088821876499212,0.1376833321910767
EOS-3-42264,Clc1ccc(COc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)cn1,AJKODWNLWMONQS-UHFFFAOYSA-N,3,1,0.488,24,747,415.844,3.876,5,0.402,0.7,1.0,0.7043382907271606,0.6655472551572887,0.5026900143924337,0.5316719210472209,0.601061870331026
EOS-3-42265,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)nn1,SAOWMJNKLSRZHN-UHFFFAOYSA-N,3,1,0.549,84,752,461.888,4.366,5,0.371,0.62,1.0,0.7228085806318963,0.8287814406140772,0.7198958261942293,0.7274946885066137,0.7497451339867041
EOS-3-42266,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)nn5)n34)nc2F)s1,WLPINHYQBGXLOC-UHFFFAOYSA-N,3,1,0.354,53,237,456.854,2.57,5,0.363,0.61,0.999,0.4969587416900829,0.5411640737440888,0.03342814063463779,0.060533890754574736,0.28302121170584604
EOS-3-42267,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1Cl,ZZPWZTYULPPTLW-UHFFFAOYSA-N,3,1,0.533,26,589,466.332,4.515,5,0.366,0.64,0.999,0.7645723391131519,0.7373723528202316,0.719904393119046,0.7692070454389692,0.7477640326228496
EOS-3-42268,Cn1nc(-c2nnc3cncc(Oc4cccnc4Cl)n23)cc1-c1ccc(F)c(Cl)c1,CFARUPANGNNUHK-UHFFFAOYSA-N,3,1,0.409,95,956,456.268,4.825,5,0.361,0.75,0.996,0.4531817558769104,0.5274569940374203,0.8191522171201425,0.8712905215543828,0.667770372147214
EOS-3-42269,Clc1cccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)c1,NDVRBCWKIGQKJL-UHFFFAOYSA-N,3,1,0.318,30,737,462.904,5.026,6,0.362,0.71,0.909,0.16525597971352204,0.27910184360222057,0.5672674936604757,0.7275032554314304,0.4347821431019121
EOS-3-42270,Cn1nc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1cnccn1,QGESOFSYKAYSGD-UHFFFAOYSA-N,3,1,0.432,31,569,417.408,2.137,5,0.413,0.62,1.0,0.39001781920361867,0.28442190391337124,0.1182149955451991,0.1293862655061339,0.2305102460420807
EOS-3-42271,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nncc(CO)n5)cc4)n23)c1,WYNSMEVRUSCXGY-UHFFFAOYSA-N,3,1,0.5,15,320,474.912,3.114,5,0.354,0.64,1.0,0.7844647385374546,0.7278030978000137,0.33624323212939483,0.33097457336714414,0.5448714104585018
EOS-3-42272,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccc(F)cn5)n34)nc2)n1C,WRTARBKPKQZQBP-UHFFFAOYSA-N,3,1,0.276,70,652,466.484,3.497,6,0.392,0.56,0.998,0.19583990130902612,0.2177712288396957,0.26278185182646835,0.24575937221574942,0.2305380885477349
EOS-3-42273,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ccc(C(=O)N5CCC(C)C5)nc4)n23)s1,MYWDJLDPHIQVSY-UHFFFAOYSA-N,3,1,0.291,82,169,483.561,3.557,6,0.381,0.74,0.995,0.02670310465355356,0.01645706257281886,0.002415872798300322,0.003889383866767185,0.01236635597285998
EOS-3-42274,CCCOc1ncccc1-c1cncc2nnc(-c3ccc(-c4cccc(Cl)c4)cn3)n12,QSTYAIWQZJLOHF-UHFFFAOYSA-N,3,1,0.343,96,95,442.91,5.358,5,0.352,0.8,1.0,0.47736618463436364,0.5737954903707765,0.5636265506133918,0.6077547803440477,0.5556357514906449
EOS-3-42275,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nccs6)n5)n34)cc2)o1,FIOKHSVRLWXAEX-UHFFFAOYSA-N,3,1,0.315,32,126,437.488,4.94,6,0.385,0.68,1.0,0.1515917346309369,0.2281800424919471,0.3436022205469125,0.3122729764923583,0.2589117435405387
EOS-3-42276,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,CZBSJMGHIHHRCP-UHFFFAOYSA-N,3,1,0.474,2,265,465.851,4.196,5,0.371,0.63,1.0,0.8812538551161675,0.8728497018710164,0.8210026728805428,0.8478856829552464,0.8557479782057432
EOS-3-42277,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccnc(C)c1,CZOHCQKZHFIURP-UHFFFAOYSA-N,3,1,0.422,49,501,473.924,4.235,5,0.346,0.72,0.999,0.677403879103557,0.5506990610650401,0.4716691796312796,0.3889469536015352,0.522179768350353
EOS-3-42278,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)s1,VEHRFPASXXQIDR-UHFFFAOYSA-N,3,1,0.316,38,865,425.477,4.575,6,0.411,0.66,1.0,0.12108491535878281,0.10419950654513056,0.45431258995271057,0.42656432047152354,0.27654033308203685
EOS-3-42279,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)nn2C)on1,CCWXCYPSDWEPNN-UHFFFAOYSA-N,3,1,0.452,95,569,420.408,2.644,5,0.412,0.62,1.0,0.3171132890137756,0.22818860941676375,0.19216469056267563,0.1742341169213899,0.2279251764786512
EOS-3-42281,COc1nc(-c2nncn2C)ccc1-c1nnc2cncc(OCc3cc(Cl)ncc3F)n12,WPNIGDSOYFXYCX-UHFFFAOYSA-N,3,1,0.426,36,180,467.852,2.757,5,0.347,0.63,0.997,0.5750376944691933,0.5365722020423549,0.27398738948666984,0.25486601329586733,0.4101158248235213
EOS-3-42282,Fc1cc(-c2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)s2)ncn1,KCLGWTAZDHDEOD-UHFFFAOYSA-N,3,1,0.333,94,342,454.454,3.363,6,0.369,0.58,0.704,0.13248749228976767,0.2739788225618532,0.11531080803234871,0.20205092180111028,0.18095701117126997
EOS-3-42283,c1cncc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)c1,DYEAVQCOKSKQFH-UHFFFAOYSA-N,3,1,0.343,42,608,409.369,2.953,6,0.428,0.81,1.0,0.18198718388047427,0.15272256870673703,0.1293862655061339,0.15293674182715372,0.15425818998012475
EOS-3-42284,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4F)n23)cc1Cl,KXGWOKUJWJKADR-UHFFFAOYSA-N,3,1,0.704,57,13,449.848,5.364,5,0.361,0.79,1.0,0.9544153930505106,0.9702385031868961,0.9751559180316633,0.9790196011239806,0.9697073538482627
EOS-3-42285,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cn2)cc(Cl)n1,OHWQGOBZEQBWGJ-UHFFFAOYSA-N,3,1,0.446,46,267,464.316,4.838,5,0.344,0.72,1.0,0.7377664313617983,0.7278116647248304,0.7119457199643616,0.7383232814748818,0.728961774381468
EOS-3-42286,Cc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(C(C)(C)O)nc5)c4)n23)ccn1,OIOFVGWRLDYLMZ-UHFFFAOYSA-N,3,1,0.529,75,796,467.533,3.801,5,0.385,0.67,1.0,0.612440888218765,0.3202830511959427,0.5960523610444795,0.3244123089575766,0.4632971523541909
EOS-3-42287,Cc1ncc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5cn(C)nn5)s4)n23)n1,IRASDVKPSCXOTO-UHFFFAOYSA-N,3,1,0.303,76,272,469.509,4.22,6,0.381,0.63,0.708,0.1003272565279967,0.23822047837708177,0.25235590432458366,0.3154170379000754,0.2265801692824344
EOS-3-42288,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(-c4conn4)cn3)n12,WWRBBVBVEWYCGC-UHFFFAOYSA-N,3,1,0.529,73,212,424.783,3.003,5,0.419,0.57,1.0,0.5640891645534919,0.7326262764717977,0.47840278253718044,0.5579723802343911,0.5832726509492152
EOS-3-42289,Cc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)nc2)o1,IRZHEIUBOGEMBQ-UHFFFAOYSA-N,3,1,0.446,27,52,454.372,3.538,5,0.393,0.54,1.0,0.5327170858748543,0.5318775272428209,0.7171030087039956,0.5079672400795011,0.572416215475293
EOS-3-42290,Fc1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccc4)n23)cc1F,KFRJXUSAJMXJFJ-UHFFFAOYSA-N,3,1,0.582,57,709,421.432,4.772,5,0.409,0.76,1.0,0.9380439997258584,0.8865225138784182,0.7909070659995888,0.8206428620382428,0.8590291104105271
EOS-3-42291,Cc1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1ccnn1C,IWKSJKOVQJAARG-UHFFFAOYSA-N,3,1,0.477,46,717,416.42,3.008,5,0.406,0.64,1.0,0.47220889589472964,0.36301487218148176,0.39625454047015285,0.3061133575491741,0.38439791652388455
EOS-3-42292,Cc1csc(-c2cc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)cc(C)n2)c1,YFIZYAHDDIYRFN-UHFFFAOYSA-N,3,1,0.477,7,99,429.509,4.209,5,0.413,0.65,1.0,0.3530601055445137,0.2689414707696525,0.23081865533548077,0.14066890548968541,0.2483722842848331
EOS-3-42293,O=C(NC1(C(F)(F)F)CC1)c1ccc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)nn1,WDAWRSFDLMLCES-UHFFFAOYSA-N,3,1,0.375,66,455,474.834,3.045,5,0.442,0.53,1.0,0.2719056267562196,0.4288945240216572,0.44699643615927626,0.6044993489137139,0.4380739839627167
EOS-3-42294,Cc1cc(-c2nnc3cncc(Oc4c(F)cccc4F)n23)cc(-c2cccc(F)n2)n1,WGRQPNFRJHNIJI-UHFFFAOYSA-N,3,1,0.443,13,145,434.381,4.766,5,0.38,0.69,1.0,0.8145175107943252,0.8172160921115756,0.8798831471455006,0.8631605099033651,0.8436943149886916
EOS-3-42295,Fc1cc(F)cc(COc2cncc3nnc(-c4cncc(-c5ncc(Cl)cc5F)c4)n23)c1,ZCALDLHDQFVUKO-UHFFFAOYSA-N,3,1,0.506,59,16,468.826,4.898,5,0.365,0.75,1.0,0.862517990542115,0.8919453772873689,0.9544410938249606,0.9633592625591118,0.9180659310533891
EOS-3-42296,COc1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1ncccc1F,CRRISFKEIMBEEI-UHFFFAOYSA-N,3,1,0.58,19,703,476.899,4.671,5,0.337,0.79,1.0,0.8251147967925434,0.7721455006510863,0.6443441162360359,0.6487732163662532,0.7225944075114796
EOS-3-42297,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ncc(F)cn1,CXQMVOAMOQKKGG-UHFFFAOYSA-N,3,1,0.454,49,896,478.875,3.461,5,0.347,0.68,0.996,0.8119645671989583,0.6850798437392913,0.28888527174285517,0.28730039065177165,0.5183075183332191
EOS-3-42298,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)ns5)n34)nc2)nc1,NXONPOIGBFPLPN-UHFFFAOYSA-N,3,1,0.303,30,203,448.515,4.742,6,0.384,0.7,1.0,0.05297786306627373,0.11090740867658146,0.2060859433897608,0.24873209512713315,0.15467582756493728
EOS-3-42299,COC(=O)c1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)cc1,LTTVBDCRGIDFDM-UHFFFAOYSA-N,3,1,0.494,90,555,414.784,2.739,4,0.362,0.77,1.0,0.8690202864779659,0.6948975395791926,0.42515934480159,0.3214395860461929,0.5776291892262354
EOS-3-42300,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4c(-c5cccnc5)cnn4C)n23)n(C)n1,ZJNKKCLMPIHTQR-UHFFFAOYSA-N,3,1,0.228,99,286,438.459,1.783,6,0.408,0.48,1.0,0.007042012199300939,0.003503872250017134,0.022342539921869645,0.02483551504351998,0.014430984853676925
EOS-3-42301,COc1cccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6cncc(F)c6)n5)n34)cc2)n1,RSPJUMWDFWGYMY-UHFFFAOYSA-N,3,1,0.299,42,136,477.463,3.915,6,0.364,0.65,1.0,0.589721403604962,0.6031286409430471,0.41025289562058803,0.3729268041943664,0.4940074360907408
EOS-3-42302,OCCc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)cn1,XOLPBOAVSSDYFE-UHFFFAOYSA-N,3,1,0.585,90,636,411.849,2.446,4,0.481,0.73,1.0,0.7584127201699677,0.7551658556644507,0.7249931464601467,0.6688026865876225,0.7268436022205469
EOS-3-42303,O=C(NCCF)c1ccc(-c2nnc3cncc(Cc4cn[nH]c4-c4ccc(Cl)nc4)n23)cc1,NGCLWZJWYHALAM-UHFFFAOYSA-N,3,1,0.369,14,357,476.903,3.52,5,0.347,0.76,0.999,0.21502124597354533,0.2689500376944692,0.4435096977588925,0.4265728873963402,0.33851346720581177
EOS-3-42304,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2)cs1,XOTWZSGYMWXRKZ-UHFFFAOYSA-N,3,1,0.608,11,684,414.494,4.24,5,0.414,0.76,1.0,0.7319837571105476,0.6410030155575355,0.42516791172640667,0.3532828455897471,0.5378593824960592
EOS-3-42305,Cc1cc(-c2cc(-c3nnc4cncc(CCc5cncc(F)c5)n34)ccn2)ncn1,JIIQBNQFODOYJY-UHFFFAOYSA-N,3,1,0.356,85,580,412.432,3.271,5,0.437,0.71,0.999,0.42073024467137277,0.34882804468507983,0.37791275443766703,0.3664330751833322,0.37847602974436295
EOS-3-42306,Cc1nnc(-c2nc(CCOc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)o1,UIOKBFNOBMBSHT-UHFFFAOYSA-N,3,1,0.404,53,477,452.837,3.354,5,0.382,0.54,0.967,0.6982129394832431,0.6511376876156535,0.16298574463710505,0.23726098279761496,0.43739933863340413
EOS-3-42307,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ncc(F)cn1,DFYNFKNIHNWIOU-UHFFFAOYSA-N,3,1,0.506,13,209,466.835,4.981,5,0.361,0.71,1.0,0.9116750051401549,0.8785895414981838,0.8893924336920019,0.8664159413336988,0.8865182304160099
EOS-3-42308,COc1cnsc1COc1cncc2nnc(-c3ccc(-c4nc(C)cc(C)n4)nc3)n12,USXIUDFHKPVWLO-UHFFFAOYSA-N,3,1,0.483,7,464,446.496,3.304,5,0.387,0.57,1.0,0.2936913165650058,0.22316839147419643,0.06718182441230895,0.029513055993420603,0.15338864711123293
EOS-3-42309,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)cc2)ccn1,HHGKKOFZZJGJOT-UHFFFAOYSA-N,3,1,0.353,69,57,417.432,4.57,6,0.415,0.77,1.0,0.09560688095401275,0.137584812555685,0.6501010897128366,0.6487817832910698,0.38301864162840105
EOS-3-42310,Cc1cc(-c2cnnc(-c3nnc4cncc(OCCc5ncsc5C)n34)c2)n(C)n1,QKODETAKOHHTPV-UHFFFAOYSA-N,3,1,0.441,31,466,433.501,2.677,5,0.402,0.54,0.999,0.19311561921732576,0.1272616681516003,0.02337913782468645,0.014032622849701871,0.08944726201082859
EOS-3-42311,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)o1,NUXFLWDIGNFZRE-UHFFFAOYSA-N,3,1,0.451,7,354,420.82,3.172,5,0.395,0.64,1.0,0.5120707970666849,0.6949061065040093,0.30687581385785756,0.2815434171749709,0.4488490336508807
EOS-3-42312,Cc1ccnc(COc2cncc3nnc(-c4cncc(-c5cnc(C)nc5)c4)n23)n1,MIVSOFSWEWKVLE-UHFFFAOYSA-N,3,1,0.416,51,855,411.429,2.629,5,0.43,0.72,1.0,0.4093533685148379,0.29479644986635595,0.1535535604139538,0.09249708724556233,0.2375501165101775
EOS-3-42313,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c(F)c1,KERQSGJJAOMWIR-UHFFFAOYSA-N,3,1,0.333,69,867,436.45,5.258,6,0.377,0.74,1.0,0.32972380234391063,0.30986567061887466,0.8210112398053595,0.810062709889658,0.5676658556644507
EOS-3-42314,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)nc1,YTZHQORAAMVDBY-UHFFFAOYSA-N,3,1,0.625,11,922,433.924,5.19,5,0.368,0.72,1.0,0.9039133712562538,0.9162411760674388,0.7144558289356453,0.7589695702830512,0.8233949866355974
EOS-3-42315,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nc2F)n1,WRYOXVZWUMQCNO-UHFFFAOYSA-N,3,1,0.389,46,564,455.816,2.887,5,0.372,0.56,0.522,0.5897299705297786,0.5458244808443561,0.48904290315948185,0.5181961483106025,0.5356983757110547
EOS-3-42316,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)n1C,DRRKGYKKARXTJA-UHFFFAOYSA-N,3,1,0.578,87,349,412.457,2.912,5,0.423,0.73,1.0,0.40071790829963677,0.18949181001987528,0.13520320745665135,0.09644643958604619,0.2054648413405524
EOS-3-42317,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2F)n1,HQCHFYQYPRKPEM-UHFFFAOYSA-N,3,1,0.44,73,379,467.827,3.252,5,0.359,0.61,1.0,0.8625265574669316,0.842634158042629,0.4285432801041738,0.47368240696319647,0.6518466006442328
EOS-3-42318,Cc1noc(-c2ccc(-c3cncc4nnc(-c5nc(Cl)ncc5-c5ccccc5)n34)cn2)n1,CZOFKYRDSUDAOR-UHFFFAOYSA-N,3,1,0.28,32,321,467.88,4.322,6,0.349,0.69,1.0,0.25854979096703445,0.2997052977863066,0.2131193886642451,0.2873089575765883,0.2646708587485436
EOS-3-42319,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)nc2F)cs1,FNQYQHCSCDGJGU-UHFFFAOYSA-N,3,1,0.54,58,814,438.513,4.44,5,0.365,0.7,0.995,0.6893547392228085,0.6704903707765061,0.2556370365293674,0.2457679391405661,0.465312521417312
EOS-3-42320,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1cnc(C)cn1,JOBJHHYKTSNPDV-UHFFFAOYSA-N,3,1,0.427,7,690,458.913,4.142,5,0.374,0.61,0.869,0.5144866698649853,0.5003169762182167,0.29236344321842234,0.2787077650606538,0.3964687135905695
EOS-3-42321,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ncccc5F)c4)n23)c1,MPYHSQPVAMAROY-UHFFFAOYSA-N,3,1,0.522,75,583,465.851,4.196,5,0.347,0.66,1.0,0.9370159687478583,0.8919539442121855,0.7431207593722158,0.7856384072373381,0.8394322698923994
EOS-3-42322,Cc1cccnc1-c1ccnc(COc2cncc3nnc(-c4ccc(F)nc4)n23)c1,JWXZTWJIVLALPA-UHFFFAOYSA-N,3,1,0.489,97,390,413.416,3.67,5,0.406,0.78,1.0,0.6124494551435816,0.6608011788088548,0.5636351175382085,0.49477417586183264,0.5829149818381194
EOS-3-42323,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)cc2)cc1,DYEFLDJGFXBMDX-UHFFFAOYSA-N,3,1,0.31,21,987,426.483,5.582,6,0.368,0.88,1.0,0.09561544787882942,0.10779761496813103,0.8055051058871907,0.8386591049276951,0.4618943184154616
EOS-3-42324,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(F)F)nc4)n23)c(F)c1,XJJWNKMMEVHCRJ-UHFFFAOYSA-N,3,1,0.365,82,336,449.44,4.988,5,0.378,0.69,0.743,0.31952059488725926,0.47755465698033034,0.9384123774929751,0.864865327941882,0.6500882393256117
EOS-3-42325,Fc1ccc(Cl)cc1-c1nccnc1-c1nnc2cncc(-c3nnn(-c4cccnc4)n3)n12,KGRQDZXGXOXFBI-UHFFFAOYSA-N,3,1,0.278,39,527,471.847,3.079,6,0.381,0.57,0.988,0.008130011651017751,0.14135425947501884,0.1790487286683572,0.3564783085463642,0.1712528270851895
EOS-3-42326,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)s5)n34)nc2)ccn1,IQKXFSBZQSDNCI-UHFFFAOYSA-N,3,1,0.304,32,957,451.49,5.178,6,0.344,0.79,1.0,0.15961037625933794,0.3389675142210952,0.7119542868891783,0.7330888904118977,0.4859052669453773
EOS-3-42327,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nc2)s1,CVBYIPBXWLFAPH-UHFFFAOYSA-N,3,1,0.429,46,564,453.89,4.385,5,0.39,0.65,1.0,0.6893633061476252,0.6221557809608663,0.6260451648276335,0.6139315331368652,0.6378739462682476
EOS-3-42328,FC(F)c1ccc(-c2nnc3cncc(Cc4ccnn4-c4ccc(C(F)(F)F)nn4)n23)cn1,FVCVZPZTERVEIQ-UHFFFAOYSA-N,3,1,0.39,66,476,473.369,3.709,5,0.359,0.67,0.969,0.10306867246933041,0.26895860461928583,0.9000239873894866,0.8057963813309574,0.5194619114522651
EOS-3-42329,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nc2F)n[nH]1,FSYKSDGEVMKWOL-UHFFFAOYSA-N,3,1,0.367,46,94,437.826,3.046,5,0.416,0.53,0.688,0.5120793639915016,0.5318860941676375,0.3475001713384963,0.35648687547118085,0.43698812624220407
EOS-3-42330,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)ccn1,XSLADXSFUBCNRN-UHFFFAOYSA-N,3,1,0.549,75,496,413.416,3.404,5,0.394,0.74,1.0,0.8348296895346446,0.8249777259954767,0.6055787814406141,0.567567336029059,0.7082383832499486
EOS-3-42331,N#Cc1ncc(-c2nnc3cncc(-c4cnc(-c5cccc(F)n5)cn4)n23)cc1F,ZFKYPOKUZDYNEG-UHFFFAOYSA-N,3,1,0.325,50,845,413.351,2.855,5,0.414,0.68,1.0,0.3900263861284353,0.477563223905147,0.6204680967719828,0.6460318004249195,0.5335223768076212
EOS-3-42332,Fc1ccc(F)c(-c2nnc3cncc(OCCc4ccc(-c5ccnc(Cl)c5)nn4)n23)c1,KQQAMEWCFDNTKU-UHFFFAOYSA-N,3,1,0.467,34,132,465.851,4.196,5,0.347,0.65,0.996,0.8197604687821259,0.8943783839353026,0.7591237749297512,0.8167363443218423,0.8224997429922555
EOS-3-42333,CCn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Cl)cn1,BHBYWRRIJZGLEO-UHFFFAOYSA-N,3,1,0.571,36,908,467.32,4.351,5,0.366,0.64,1.0,0.7928860256322391,0.8133609759440751,0.46461003358234526,0.5985367692413132,0.6673484510999931
EOS-3-42334,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nc1,AEYZRKCJDOXUNH-UHFFFAOYSA-N,3,1,0.638,84,73,412.428,4.009,5,0.419,0.77,1.0,0.8578147488177644,0.772154067575903,0.6913251319306422,0.6891405661023919,0.7526086286066753
EOS-3-42335,Cc1ccc(-c2nnc3cncc(OCc4ncn(-c5cc(F)cc(F)n5)n4)n23)cn1,NXMFOJZAGXILJU-UHFFFAOYSA-N,3,1,0.426,36,975,421.371,2.328,5,0.398,0.59,1.0,0.26654273182098553,0.3823932561167843,0.26279041875128506,0.26696251113700226,0.2946722294565143
EOS-3-42336,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5cnccn5)s4)n23)c1,NYODSZQHVMJUNR-UHFFFAOYSA-N,3,1,0.342,39,972,454.454,3.363,6,0.395,0.56,0.963,0.1266791172640669,0.23307175656226442,0.08990130902611199,0.18533685148379136,0.15874725858405866
EOS-3-42337,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2F)n[nH]1,CLROADYUWGNYAG-UHFFFAOYSA-N,3,1,0.516,37,589,450.865,3.694,5,0.42,0.56,1.0,0.8578233157425811,0.8585772051264479,0.46461860050716197,0.5079758070043178,0.6722487320951271
EOS-3-42338,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cs2)n1,MNTYPQMREQIXDS-UHFFFAOYSA-N,3,1,0.44,55,45,442.867,3.415,5,0.385,0.56,1.0,0.5144952367898019,0.3962802412446028,0.38521177438146803,0.4073572750325543,0.4258361318621068
EOS-3-42339,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCn6ccnc6C5)nn4)n23)cn1,ICELBXQJYRZZAS-UHFFFAOYSA-N,3,1,0.277,52,974,482.508,1.723,6,0.405,0.65,1.0,0.0289819066547872,0.02427866493043657,0.0056113357549174145,0.004266328558700569,0.015784558974710438
EOS-3-42340,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5C)ncc4Cl)n23)cc1,SYBBQERSYVJWOE-UHFFFAOYSA-N,3,1,0.47,89,731,486.923,3.544,5,0.387,0.78,1.0,0.6318706737029676,0.4816496470426975,0.47167774655609623,0.34050099376327875,0.48142476526626
EOS-3-42341,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4cncc(F)n4)n23)cnn1,IOKQDRFTGJGIKT-UHFFFAOYSA-N,3,1,0.43,20,779,418.396,1.532,5,0.404,0.59,1.0,0.4531903228017271,0.3680436570488657,0.0943132753066959,0.092505654170379,0.2520132273319169
EOS-3-42342,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ncnn6C)nc5)n34)nn2)n(C)n1,KXEVWUCOAKZYQG-UHFFFAOYSA-N,3,1,0.333,99,502,466.469,2.273,6,0.372,0.61,0.992,0.3041515317661572,0.1602871633198547,0.03880816941950518,0.019986635597285998,0.13080837502570078
EOS-3-42343,Cc1nc(Cl)cc(CCOc2cncc3nnc(-c4cccc(-c5cc(=O)n(C)cn5)c4)n23)n1,PUUCJQBMVNDMMN-UHFFFAOYSA-N,3,1,0.447,15,561,474.912,2.925,5,0.345,0.7,1.0,0.5196696593790693,0.4467222945651429,0.22007573161537936,0.2141302857926119,0.35014949283805086
EOS-3-42344,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cnn2)c1,JRWIWDCCVSIREO-UHFFFAOYSA-N,3,1,0.484,65,778,448.849,3.452,5,0.364,0.56,1.0,0.8324138167363443,0.8426427249674456,0.6204766636967994,0.6659156329244055,0.7403622095812487
EOS-3-42345,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(Cl)c(-c5cccc(F)c5)n4)n23)cc1,GUHBRBHPZULRNE-UHFFFAOYSA-N,3,1,0.362,62,302,485.91,4.6,6,0.39,0.86,1.0,0.215029812898362,0.3962888081694195,0.4359879377698581,0.595598314029196,0.4107262182167089
EOS-3-42346,CCc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)cc2)no1,AHHOYMLXSBANRZ-UHFFFAOYSA-N,3,1,0.506,16,19,451.849,4.17,5,0.354,0.69,1.0,0.814526077719142,0.7095812487149613,0.4716863134809129,0.4795079158385306,0.6188253889383867
EOS-3-42347,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccccc4-c4ccnc(F)c4)n23)cn1,UWQZNMMNPUWIAB-UHFFFAOYSA-N,3,1,0.315,42,945,448.465,4.455,6,0.37,0.64,1.0,0.25567987115345076,0.2896134603522719,0.6144883832499486,0.6253769446919334,0.44628966486190114
EOS-3-42348,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)nn5)c4)n23)nc1,RWTRWHIGFFQVPD-UHFFFAOYSA-N,3,1,0.365,33,53,484.455,2.044,6,0.364,0.73,1.0,0.407185936536221,0.17687272976492358,0.06318107052292508,0.07807895277911041,0.181329672400795
EOS-3-42349,Cc1nc(-c2nc(C)c(Cc3cncc4nnc(-c5cnc(Cl)nc5)n34)cc2F)n(C)n1,SELUFLZNFZDTBO-UHFFFAOYSA-N,3,1,0.298,85,976,450.869,2.772,5,0.384,0.56,1.0,0.22333972997052978,0.28962202727708863,0.0612363785895415,0.08499246110616133,0.1647976492358303
EOS-3-42350,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)s4)n23)cn1,COGVHBXICLGZQV-UHFFFAOYSA-N,3,1,0.403,76,653,440.467,4.506,6,0.433,0.57,1.0,0.17324035364265644,0.377604345144267,0.47169488040572954,0.5415838530601056,0.39103085806318966
EOS-3-42351,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cncs5)c4)n23)cc1,ATLBAKKMCIQLGW-UHFFFAOYSA-N,3,1,0.477,56,415,468.506,3.079,6,0.363,0.65,1.0,0.4484613803029265,0.27398738948666984,0.17267493660475636,0.14299910903981908,0.25953070385854293
EOS-3-42352,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1cscn1,QWCJZKIRNPCDGN-UHFFFAOYSA-N,3,1,0.522,11,490,453.89,4.119,5,0.357,0.65,1.0,0.910124391748338,0.9011119868412035,0.5335909122061545,0.5707456651360427,0.7288932389829347
EOS-3-42353,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)cnn4)n23)ccc1-c1nccc(C)n1,BLEFLBIBZUIGRG-UHFFFAOYSA-N,3,1,0.37,31,690,459.901,3.537,5,0.375,0.56,0.996,0.45319888972654376,0.5049088479199506,0.09432184223151258,0.1046963881844973,0.2892814920156261
EOS-3-42354,COCCNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnccn5)n4)n23)cc1,ZAISTDUGMKWYKC-UHFFFAOYSA-N,3,1,0.419,89,943,483.492,1.994,5,0.309,0.81,1.0,0.37154752929888285,0.03192036186690426,0.08990987595092866,0.03772873689260503,0.1327766260023302
EOS-3-42355,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cn(O)nc5C)n34)ccn2)cs1,OVVYRIKEICZEPS-UHFFFAOYSA-N,3,1,0.537,75,241,434.485,2.982,5,0.406,0.65,0.938,0.3784953053252005,0.26376704818038516,0.06510006168185868,0.03905661023918854,0.18660475635665819
EOS-3-42356,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5nc6ccccc6s5)n4)n23)cc1,AVCGLFGYFDSIDG-UHFFFAOYSA-N,3,1,0.271,3,973,477.517,3.444,7,0.378,0.67,1.0,0.0529864299910904,0.12361215817969981,0.04987663628263998,0.09059522993626208,0.07926761359742307
EOS-3-42357,COc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)sn2)s1,HQPLKBLTPSPTLK-UHFFFAOYSA-N,3,1,0.6,16,389,457.928,4.007,5,0.377,0.64,0.997,0.7469844424645329,0.7764375299842369,0.09924782400109657,0.14788225618531972,0.44263801315879653
EOS-3-42358,Cn1cc(-c2ccc3n[nH]c(-c4cncc5nnc(-c6ccc(-c7nccn7C)cc6)n45)c3n2)cn1,ZVEYDDONBOANRS-UHFFFAOYSA-N,3,1,0.274,38,42,473.504,3.531,7,0.415,0.62,1.0,0.09562401480364609,0.06784147762319238,0.24867212665341648,0.24577650606538276,0.16447853128640944
EOS-3-42359,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)nc2C)s1,LRNKDZUGTIXLPT-UHFFFAOYSA-N,3,1,0.398,46,564,452.45,3.574,5,0.399,0.55,0.999,0.5668905489685423,0.45546912480296076,0.29610718936330616,0.28731752450140496,0.4014460969090536
EOS-3-42360,c1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnco6)nn5)n34)cc2)o1,FGEVTNBPHZZUCO-UHFFFAOYSA-N,3,1,0.319,8,63,410.357,2.348,6,0.422,0.73,0.998,0.20423548762936056,0.13049996573230074,0.08234528133781098,0.1139058323624152,0.13274664176547188
EOS-3-42361,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c(F)c1,PUVQQIDTDMEDQO-UHFFFAOYSA-N,3,1,0.329,32,93,463.451,5.256,6,0.355,0.77,0.999,0.35792611884038106,0.459821122609828,0.8191607840449592,0.8462751010897128,0.6207957816462203
EOS-3-42362,Fc1c(Cl)cccc1-c1nnc2cncc(OCc3ccnc(-c4cncs4)c3)n12,PWAFVGSKWJRCAB-UHFFFAOYSA-N,3,1,0.518,97,109,438.875,4.681,5,0.396,0.68,1.0,0.7928945925570557,0.8323024467137277,0.8035518470289905,0.8186724693304092,0.8118553389075458
EOS-3-42363,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ns4)n23)ccn1,SJQBUTAHKYWSNZ-UHFFFAOYSA-N,3,1,0.53,97,183,438.875,4.681,5,0.396,0.68,1.0,0.7729850592831198,0.727820231649647,0.6804023027893907,0.7563909259132342,0.734399629908848
EOS-3-42364,Cc1cc(-c2cc(-c3nnc4cncc(OCc5sc(Cl)nc5C)n34)ncn2)ccn1,DRQMERRACODKGF-UHFFFAOYSA-N,3,1,0.404,46,238,450.915,3.949,5,0.396,0.63,1.0,0.47967925433486397,0.47757179082996365,0.15047803440477006,0.14553491878555275,0.31331599958878764
EOS-3-42365,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)nc1)N1CCC(F)(F)C1,MXROULWQFOFCPB-UHFFFAOYSA-N,3,1,0.327,82,821,485.458,3.187,6,0.381,0.76,0.65,0.08152285655541087,0.1078061818929477,0.13225618531971764,0.26093139606606813,0.14562915495853607
EOS-3-42366,Cc1nc(-c2cnc(C)s2)cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)n1,ROZLHSFKFKOKDL-UHFFFAOYSA-N,3,1,0.427,18,531,448.487,3.477,5,0.364,0.59,1.0,0.527825371804537,0.5003255431430333,0.16936810362552257,0.1406774724145021,0.33454912274689874
EOS-3-42367,Cc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc(-c2ncccc2F)n1,CQKRHLKCSBTSGV-UHFFFAOYSA-N,3,1,0.456,13,145,450.836,5.281,5,0.37,0.73,1.0,0.722817147556713,0.7806096223699541,0.8835840586663012,0.8976852169145364,0.8211740113768762
EOS-3-42368,N#Cc1cc(F)cc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)c1,PEWHPXLISQOCOR-UHFFFAOYSA-N,3,1,0.529,59,439,475.846,4.631,5,0.365,0.72,1.0,0.7469930093893496,0.8645226509492153,0.9439123432252758,0.9515369063121102,0.8767412274689877
EOS-3-42369,Cn1cc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5nccn5C)n34)c2)cn1,PORKZLMARSXGIO-UHFFFAOYSA-N,3,1,0.256,86,495,434.467,3.049,6,0.42,0.5,1.0,0.028990473579603864,0.01505208690288534,0.1385186073607018,0.1529453087519704,0.08387661914879035
EOS-3-42370,COc1cnc(CCc2ncoc2Cc2cncc3nnc(-c4ccc(C)cc4)n23)cn1,KJDNPQSOCMSMOR-UHFFFAOYSA-N,3,1,0.4,85,357,427.468,3.262,5,0.39,0.61,1.0,0.30933452128024125,0.1811219244739908,0.09212870947844562,0.06865533548077582,0.1628101226783634
EOS-3-42371,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ncn2)nc1,QIZPKGTWLCVTGS-UHFFFAOYSA-N,3,1,0.418,18,842,451.372,2.472,5,0.384,0.51,0.681,0.7873003906517716,0.6081317250359811,0.46825954355424576,0.48577890480433145,0.5873676410115825
EOS-3-42372,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc(C)n2)cn1,RJEODOLAQGPXFN-UHFFFAOYSA-N,3,1,0.412,31,330,459.901,3.325,5,0.352,0.6,1.0,0.5724761839490097,0.5229936262079364,0.18222705777534096,0.17424268384620656,0.36298488794462336
EOS-3-42373,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)n(C)n1,MDAVXYJQTWKHFP-UHFFFAOYSA-N,3,1,0.444,92,565,432.875,3.523,5,0.392,0.58,1.0,0.4093619354396546,0.4509200877253101,0.47490747721198,0.4297426495785073,0.441233037488863
EOS-3-42374,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(-c5cncnn5)nc4)n23)c1,PVIANTUITKTOFN-UHFFFAOYSA-N,3,1,0.474,6,247,480.467,3.157,6,0.354,0.7,0.997,0.502038928106367,0.382401823041601,0.5133215680899185,0.44548865739154275,0.4608127441573573
EOS-3-42375,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,ROUUQOSZUIHWRD-UHFFFAOYSA-N,3,1,0.553,35,265,464.863,4.801,5,0.359,0.7,1.0,0.9559660064423274,0.9634791995065451,0.9170978685491056,0.929802618052224,0.9415864231375506
EOS-3-42376,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cn4)n23)c1F,ROYBGEGXULPOSH-UHFFFAOYSA-N,3,1,0.273,39,449,454.404,3.374,6,0.43,0.48,0.825,0.24520252210266602,0.27399595641148655,0.5170139126859022,0.5895329312589953,0.4064363306147626
EOS-3-42377,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)s1,HEIMLZRWOUAVDW-UHFFFAOYSA-N,3,1,0.319,38,126,435.516,4.982,6,0.39,0.72,1.0,0.049868069357823314,0.07848159824549379,0.4922812007401823,0.48870022616681513,0.27733277362757863
EOS-3-42378,Clc1cnc(CCOc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)s1,AMAPWAOYFOEMTP-UHFFFAOYSA-N,3,1,0.523,15,202,435.9,3.98,5,0.398,0.59,1.0,0.578010417380577,0.6608097457336715,0.3289356452607772,0.4138595709684052,0.4954038448358577
EOS-3-42379,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1-c1ccnnc1,MALHLIJSMXVSBT-UHFFFAOYSA-N,3,1,0.553,59,294,461.888,4.577,5,0.365,0.67,1.0,0.7043468576519772,0.704946542389144,0.7301247344253307,0.7302532382975807,0.7174178431910081
EOS-3-42380,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cs2)ncn1,MQDRMBWGKBUBKD-UHFFFAOYSA-N,3,1,0.485,58,578,433.472,3.774,5,0.377,0.63,1.0,0.6235179220067165,0.554956822698924,0.44351826468370914,0.3793434308820506,0.50033411006785
EOS-3-42381,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccno5)cc4F)n23)c1,KWOTVPZNRQTTHK-UHFFFAOYSA-N,3,1,0.358,41,192,453.412,4.849,6,0.377,0.68,0.999,0.34391919676512916,0.39154273182098553,0.8418631348091289,0.8712990884791995,0.6121560379686107
EOS-3-42382,CCc1nc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1-c1cncn1C,UWFXTZYTCWPSOO-UHFFFAOYSA-N,3,1,0.412,46,717,448.437,3.401,5,0.367,0.58,0.403,0.4820865602083476,0.41074977725995476,0.48201802480981426,0.40112912069083684,0.44399587074223834
EOS-3-42383,Cc1cnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)n(C)n2)nn1,ARIPPFHDRBUZCA-UHFFFAOYSA-N,3,1,0.371,56,789,465.481,2.878,6,0.378,0.58,1.0,0.31712185593859227,0.22317695839901308,0.06719039133712562,0.04397402508395586,0.1628658076896717
EOS-3-42384,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)cc(Cl)c5)n34)ccn2)nn1,WBEMZABZIJUYEN-UHFFFAOYSA-N,3,1,0.53,24,16,464.316,4.838,5,0.368,0.69,1.0,0.6009269412651634,0.6608183126584881,0.732874717291481,0.7739102871633199,0.692132564594613
EOS-3-42385,Fc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)nc1-c1cnccn1,FVYVHNAWWRBBFF-UHFFFAOYSA-N,3,1,0.407,65,324,415.392,2.194,5,0.411,0.62,0.99,0.6151823041600987,0.5985282023164965,0.15048660132958674,0.16623260914262217,0.38260742923720104
EOS-3-42386,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)cn2)s1,LXRGJPOATJPJNB-UHFFFAOYSA-N,3,1,0.533,87,579,447.499,4.082,5,0.387,0.61,1.0,0.6180008224247824,0.75064251936125,0.3551761359742307,0.27567507367555344,0.4998736378589541
EOS-3-42387,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)s1,MUZSOJWKGURLLF-UHFFFAOYSA-N,3,1,0.5,72,561,449.927,4.288,5,0.357,0.65,1.0,0.667911726406689,0.7592437118771845,0.23441676375848125,0.2787163319854705,0.4850721335069563
EOS-3-42388,FC(F)(F)c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,VAGBMTRETMQOEH-UHFFFAOYSA-N,3,1,0.634,68,127,406.755,3.833,4,0.512,0.83,1.0,0.8812624220409842,0.958193406894661,0.9661863477486121,0.9359793708450415,0.9354053868823247
EOS-3-42389,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnc(Cl)nn5)n34)c2)cn1,YUMPMADYVAXUOD-UHFFFAOYSA-N,3,1,0.39,18,367,449.837,2.847,5,0.36,0.55,0.991,0.6124580220683983,0.6511462545404701,0.28510725789870467,0.3598022753752313,0.47712845247070107
EOS-3-42390,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(F)cc5F)cc4F)n23)c(F)c1,PBFLPOJAWMXYGI-UHFFFAOYSA-N,3,1,0.37,83,533,479.393,4.906,5,0.362,0.83,1.0,0.6291206908368172,0.694914673428826,0.9715578096086629,0.9659893084778288,0.8153956205880337
EOS-3-42391,COc1ncc(-c2nnc3cncc(OCCc4ccc(C)nn4)n23)cc1-c1ncc(Cl)cn1,OBZBVGJTQJDRBG-UHFFFAOYSA-N,3,1,0.454,87,779,475.9,3.025,5,0.346,0.66,1.0,0.548197519018573,0.5507076279898567,0.09925639092591323,0.07808751970392708,0.3190622644095675
EOS-3-42392,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccc2F)o1,XWBZSPRZMQFMLH-UHFFFAOYSA-N,3,1,0.566,4,71,436.834,4.521,5,0.4,0.62,1.0,0.8170190528407922,0.8210712082790761,0.7847902816804879,0.7739188540881365,0.7991998492221233
EOS-3-42393,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cnc(CO)cn4)n23)nn1C,WXPAUULGSXGKKB-UHFFFAOYSA-N,3,1,0.35,31,828,432.448,1.27,5,0.403,0.54,0.996,0.0582807895277911,0.021905626756219588,0.036058186553354805,0.017545062024535672,0.03344741621547529
EOS-3-42394,Fc1cncc(-c2cc(Cl)c(Oc3cncc4nnc(-c5ccc(Cl)nc5)n34)nn2)n1,WPQJAYRCTMLDLB-UHFFFAOYSA-N,3,1,0.355,55,875,456.228,3.672,5,0.374,0.56,0.999,0.719750188472346,0.8172246590363923,0.4820265917346309,0.5985453361661298,0.6543866938523747
EOS-3-42395,Cc1ncc(-c2ccc(CCc3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)nn2)nn1,SBAQUKWWXMNOIZ-UHFFFAOYSA-N,3,1,0.319,99,14,474.492,2.379,6,0.35,0.6,1.0,0.19045130559934206,0.1338924679597012,0.0347303132067713,0.03906517716400521,0.09953481598245494
EOS-3-42396,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)nc2C)nc1,HMHUSEIVIMFDRH-UHFFFAOYSA-N,3,1,0.432,31,690,447.886,4.128,5,0.382,0.59,0.997,0.6619919813583716,0.5549653896237406,0.2415615790555822,0.23132410389966418,0.4224607634843397
EOS-3-42397,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)c5)nc4)n23)c(F)c1,RBEKUZFVTQYTJF-UHFFFAOYSA-N,3,1,0.489,97,91,446.873,4.928,5,0.356,0.75,1.0,0.8774587074223836,0.8728582687958331,0.8772102666027003,0.8648738948666986,0.8731002844219039
EOS-3-42398,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCc4cnccn4)n23)n1,CFDMOJWMQRKTJN-UHFFFAOYSA-N,3,1,0.379,7,330,415.392,2.46,5,0.399,0.64,1.0,0.4671372764032623,0.4554776917277774,0.23082722226029745,0.19894112809265985,0.33809582962099927
EOS-3-42399,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,ILHLHNBALOLOHY-UHFFFAOYSA-N,3,1,0.548,75,583,453.89,4.119,5,0.382,0.62,1.0,0.7645809060379686,0.7764460969090535,0.5437084504146391,0.5804605578781441,0.6662990028099514
EOS-3-42400,Fc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)n1,DDCWPQJPTLJXGG-UHFFFAOYSA-N,3,1,0.547,24,583,419.445,3.465,5,0.389,0.64,1.0,0.6679202933315057,0.6081402919607978,0.3398670413268453,0.33407580015077787,0.48750085669248167
EOS-3-42401,c1cnc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)c2)nc1,ZKGRKIUZHNTCOU-UHFFFAOYSA-N,3,1,0.311,38,983,418.42,3.965,6,0.423,0.61,1.0,0.1789202247961072,0.11091597560139813,0.42855184702899046,0.4169693646768556,0.28383935302583785
EOS-3-42402,Fc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c(Cl)cn2)c1,PYEYDRCGJFMMIA-UHFFFAOYSA-N,3,1,0.427,13,110,454.799,5.111,5,0.375,0.7,1.0,0.8197690357069426,0.8811253512439174,0.9593413748200946,0.9695531492015627,0.9074472277431294
EOS-3-42403,Cn1cncc1-c1cc(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)ccc1Cl,QXMUVZDFQXTETJ-UHFFFAOYSA-N,3,1,0.313,98,314,467.924,4.308,6,0.383,0.64,1.0,0.1457833596052361,0.304751216503324,0.6174868069357823,0.6107960386539648,0.4197043554245768
EOS-3-42404,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)ccn2)n1,RBXJEMGKWABYLS-UHFFFAOYSA-N,3,1,0.522,75,583,449.396,3.682,5,0.365,0.58,1.0,0.9070917003632376,0.8356349804674115,0.79974813241039,0.7856469741621548,0.8320304468507984
EOS-3-42405,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)cnn2)c(Cl)cn1,UHERKGHUBZTOHX-UHFFFAOYSA-N,3,1,0.533,87,778,453.89,4.119,5,0.357,0.66,0.715,0.8489993831814132,0.8356435473922281,0.5636436844630252,0.6281783291069838,0.7191162360359127
EOS-3-42406,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccsc5)ncn4)n23)cnc1Cl,OUEFJZUXEYCIMC-UHFFFAOYSA-N,3,1,0.402,46,395,439.863,4.076,5,0.381,0.61,0.848,0.7011685285449935,0.5690665478719759,0.6501096566376533,0.6717325748749229,0.6480193269823863
EOS-3-42407,Cc1cccc(-c2ccc(COc3cncc4nnc(-c5ccccc5F)n34)nn2)n1,UAVDCLNWGPJCGU-UHFFFAOYSA-N,3,1,0.518,4,268,413.416,3.67,5,0.434,0.72,1.0,0.5806575971489274,0.6559694332122541,0.4470050030840929,0.43898636145569186,0.5306545987252416
EOS-3-42408,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)c1,HMCGHQMEBKBKKZ-UHFFFAOYSA-N,3,1,0.506,35,76,447.861,4.057,5,0.362,0.6,1.0,0.8625351243917483,0.8585857720512645,0.7431293262970324,0.7715715166883695,0.8089554348571036
EOS-3-42409,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)cnc4Cl)n23)n(C)n1,WDDAYQNNMPGGDF-UHFFFAOYSA-N,3,1,0.429,92,662,450.865,3.662,5,0.377,0.59,1.0,0.35539887601946407,0.45982968953464465,0.5062538551161675,0.4916815160030156,0.4532909841683229
EOS-3-42410,Cc1csc(COc2cncc3nnc(-c4cc(-c5ccnc(C)n5)cnn4)n23)n1,OPNXIVBTZMWYTQ-UHFFFAOYSA-N,3,1,0.402,53,587,417.458,2.691,5,0.425,0.65,0.998,0.23152114317044753,0.16825440339935577,0.04020457816462203,0.02392742101295319,0.11597688643684463
EOS-3-42411,Fc1cncc(-c2nccnc2-c2nnc3cncc(-c4ncc(F)c(-c5cnccn5)n4)n23)c1,AUCIZALUKSMJAM-UHFFFAOYSA-N,3,1,0.25,86,953,467.403,2.836,6,0.381,0.53,0.816,0.2639298197519019,0.3098742375436913,0.1855938592282914,0.2756836406003701,0.25877038928106366
EOS-3-42412,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)c2)nc1,PBDWGQMDQPOMHA-UHFFFAOYSA-N,3,1,0.46,57,480,419.366,5.063,5,0.407,0.76,1.0,0.8490079501062299,0.8811339181687341,0.962528270851895,0.9627852785963951,0.9138638544308135
EOS-3-42413,Cc1nc(-c2ccc(F)c(F)c2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)nn4)n23)s1,HUJZTSNFRSQMRH-UHFFFAOYSA-N,3,1,0.296,10,63,475.444,4.008,6,0.372,0.69,0.704,0.26917277773970255,0.4107583441847714,0.25925227880200125,0.3564954423959975,0.3239197107806182
EOS-3-42415,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,YWLDTZRNICFKKW-UHFFFAOYSA-N,3,1,0.479,58,710,460.885,3.322,5,0.36,0.58,0.999,0.6436159276266191,0.5940819683366458,0.1598331163045713,0.15560962236995407,0.3882851586594476
EOS-3-42416,Cn1cnnc1-c1nc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Cl)cc1Cl,ICSOHWIXKGGXBK-UHFFFAOYSA-N,3,1,0.52,34,252,473.711,4.734,5,0.372,0.76,1.0,0.655583921595504,0.8015386196970735,0.5133301350147351,0.7031560551024604,0.6684021828524432
EOS-3-42417,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5ccccc5)c4)n23)cc1F,URDPFBPMLVITEV-UHFFFAOYSA-N,3,1,0.506,97,137,416.391,4.106,5,0.429,0.67,1.0,0.6525255294359537,0.685088410664108,0.8591169213898979,0.8583458981563977,0.7637691899115893
EOS-3-42418,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ns5)n34)cc2F)cn1,VHROVVHOXBAETB-UHFFFAOYSA-N,3,1,0.494,51,716,454.878,3.78,5,0.395,0.64,1.0,0.634851963539168,0.7373809197450483,0.3253118360633267,0.36644164210814884,0.515996590363923
EOS-3-42419,Clc1ccc(Cc2ncnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)n2)cn1,CSCHIYLRCBIQCD-UHFFFAOYSA-N,3,1,0.284,94,165,479.895,3.135,6,0.339,0.69,0.699,0.2372781166472483,0.2896305942019053,0.2308357891851141,0.28463607703378796,0.2605951442670139
EOS-3-42420,Fc1cccc(-c2ccc(-c3nnc4cncc(Oc5ncc(Cl)cc5Cl)n34)nc2)c1,JSGGTJLQLCDEBV-UHFFFAOYSA-N,3,1,0.37,13,417,453.264,5.487,5,0.358,0.83,1.0,0.8015386196970735,0.8249862929202934,0.8894010006168186,0.9317644438352409,0.8619225892673565
EOS-3-42421,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(C)n5C)cn4)n23)nc1,CYWYLCIKKRMPSL-UHFFFAOYSA-N,3,1,0.417,33,168,412.457,3.178,5,0.437,0.7,1.0,0.3439277636899459,0.16826297032417242,0.21646048934274553,0.12535981084230005,0.21350275854979098
EOS-3-42422,N#Cc1cc(-c2ccccc2)cc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)c1,GJKVCNFEPAGAMX-UHFFFAOYSA-N,3,1,0.584,79,709,439.425,5.187,5,0.377,0.71,1.0,0.9438009732026592,0.927172572133507,0.9743934617229799,0.9763381536563636,0.9554262901788775
EOS-3-42423,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)ncc1F,DAJUZNLWUKVBKY-UHFFFAOYSA-N,3,1,0.446,2,491,466.839,3.857,5,0.36,0.62,1.0,0.8420259063806456,0.7464618600507162,0.6804108697142074,0.6631142485093551,0.7330032211637311
EOS-3-42424,Cc1cnnc(-c2cc(C#N)cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)n1,REJDSRQNTLXCNO-UHFFFAOYSA-N,3,1,0.527,15,578,469.896,3.493,5,0.343,0.64,1.0,0.9053697484750873,0.8616270303611816,0.5201494071688026,0.5214087451168529,0.7021387327804811
EOS-3-42426,Cc1nc(COc2cncc3nnc(-c4ccc(F)nc4)n23)cc(-c2cncnn2)n1,AWRKSAAPYPQZQQ-UHFFFAOYSA-N,3,1,0.421,7,185,416.38,1.855,5,0.391,0.63,1.0,0.566899115893359,0.5644575423206086,0.15655198409978754,0.14300767596463573,0.3577290795695977
EOS-3-42427,Fc1cc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)ccc1-c1ccccn1,RXLFRQJBHCGLOM-UHFFFAOYSA-N,3,1,0.345,3,783,468.883,4.894,6,0.366,0.71,1.0,0.03135494482900418,0.23822904530189842,0.7639726543759852,0.8498389418134467,0.4708488965800836
EOS-3-42428,CCn1cc(-c2cc(F)cc(-c3nnc4cncc(COc5ccc(Cl)cn5)n34)c2)cn1,RBZNGLQTEGXUBR-UHFFFAOYSA-N,3,1,0.365,14,351,449.877,4.441,5,0.381,0.62,1.0,0.36455691864848194,0.43347782879857444,0.6913336988554588,0.6776523199232404,0.5417551915564389
EOS-3-42429,CCn1cc(-c2cnnc(-c3nnc4cncc(OCc5cc(C)ns5)n34)c2)cn1,GQYYPVDZCCNLQR-UHFFFAOYSA-N,3,1,0.483,92,182,419.474,2.809,5,0.413,0.64,1.0,0.09091220615447879,0.07154238914399287,0.05155575354670688,0.03244294428072099,0.06161332328147488
EOS-3-42431,Fc1ccccc1-c1nnc2cncc(-c3cccnc3-c3ccc(C(F)F)nc3)n12,FLSBXNBEUYCJTQ-UHFFFAOYSA-N,3,1,0.408,96,46,418.382,4.992,5,0.411,0.76,0.89,0.3297323692687273,0.5690751147967925,0.9313703652936742,0.9256219587416901,0.688949952025221
EOS-3-42432,Cn1nc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nc1C(F)F,IGQLNBHMYVECJE-UHFFFAOYSA-N,3,1,0.392,53,105,470.831,2.942,5,0.368,0.62,1.0,0.40937050236447126,0.5458330477691727,0.22710060996504694,0.254874580220684,0.35929468507984375
EOS-3-42433,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6cnccn6)n5)n34)cc2)n1C,WTJDFLAVTGXVOP-UHFFFAOYSA-N,3,1,0.4,56,197,465.481,2.45,6,0.364,0.55,1.0,0.21503837982317867,0.21777979576451237,0.08498389418134467,0.05603625522582414,0.14345958124871497
EOS-3-42434,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cnn2)c1,WQIFYBVZQQVUMM-UHFFFAOYSA-N,3,1,0.484,4,875,434.822,3.41,5,0.387,0.52,1.0,0.5302583784524707,0.6265420464670002,0.5960609279692961,0.6516602700294702,0.6011304057295592
EOS-3-42435,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)cn1,FJSCOFHNFHTRMI-UHFFFAOYSA-N,3,1,0.5,35,76,413.416,3.404,5,0.394,0.75,1.0,0.8145346446439586,0.7187050236447124,0.5672760605852923,0.5379943115619217,0.6596275101089712
EOS-3-42436,Fc1cc(Cl)ncc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,VQGMJJUGFIOBLJ-UHFFFAOYSA-N,3,1,0.422,46,157,468.279,4.668,5,0.346,0.71,1.0,0.7527842505654171,0.7326348433966143,0.8785467068741005,0.9014203961346036,0.8163465492426839
EOS-3-42437,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(OC)c4)n23)c(F)c1,ATSSIJVILYFCNR-UHFFFAOYSA-N,3,1,0.337,61,336,463.904,4.846,5,0.37,0.75,1.0,0.3920824480844356,0.4862672195188815,0.5235933109451032,0.5479747789733397,0.48747943938044
EOS-3-42438,Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5cccnc5Cl)n34)c2)cn1,JDTOKYRUNZGYMR-UHFFFAOYSA-N,3,1,0.383,2,858,416.832,3.792,5,0.407,0.68,1.0,0.6094338976081146,0.6031372078678637,0.4682681104790624,0.4454972243163594,0.53158411006785
EOS-3-42439,Cc1cc(-c2nnc3cncc(OCc4nc(Cl)ncc4-c4ncnn4C)n23)ccc1Cl,OYKHIIDLKQIIPO-UHFFFAOYSA-N,3,1,0.457,36,610,468.308,3.571,5,0.36,0.65,0.874,0.4436810362552258,0.6410115824823521,0.2778596395038037,0.36645020903296555,0.43225061681858684
EOS-3-42440,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)ccn1,WYUPQUZOIFLTKM-UHFFFAOYSA-N,3,1,0.495,35,393,428.431,3.129,5,0.389,0.53,1.0,0.5170910150092523,0.4643016242889452,0.4176375848125557,0.37293537111918307,0.44299139880748406
EOS-3-42441,Cn1cnc(-c2ccc(F)c(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cc1=O,JNKDXMKYKKCJDZ-UHFFFAOYSA-N,3,1,0.469,11,639,477.887,3.361,5,0.346,0.72,1.0,0.5430230964293057,0.5458416146939894,0.5505962579672401,0.5769823864025769,0.554110838873278
EOS-3-42442,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)cnn4)n23)c(F)c1F,UJRMWGAUPAATKT-UHFFFAOYSA-N,3,1,0.517,19,198,448.408,4.287,5,0.361,0.65,1.0,0.7844733054622712,0.82499485984511,0.9011291206908368,0.904967103008704,0.8538910972517305
EOS-3-42443,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc(Cl)n2)c1,JZPCXCNQCGGYGD-UHFFFAOYSA-N,3,1,0.512,35,234,443.898,4.227,5,0.363,0.6,1.0,0.8015471866218902,0.8015471866218902,0.560319717634158,0.5512473442533068,0.6786653587828113
EOS-3-42444,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)c1,DRYWSPINRCRZLA-UHFFFAOYSA-N,3,1,0.381,31,643,465.88,3.274,5,0.36,0.59,0.392,0.42783222534439036,0.33392159550407785,0.3661932012884655,0.38895552052635185,0.37922563566582135
EOS-3-42445,Cn1nccc1-c1cccc(-c2nnc3cncc(OCCc4cccnc4F)n23)c1,RVYOEXVKSHJWNA-UHFFFAOYSA-N,3,1,0.558,15,438,415.432,3.347,5,0.396,0.69,1.0,0.6151908710849153,0.5049174148447674,0.5472894249880063,0.4857874717291481,0.5382962956617092
EOS-3-42446,CCc1cc(C)nc(-c2ccnc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c2)n1,UWZCNMDXDUTYOH-UHFFFAOYSA-N,3,1,0.489,7,434,459.901,3.537,5,0.351,0.6,1.0,0.5251353574121034,0.622164347885683,0.15984168322938797,0.12740730587348364,0.35863717360016445
EOS-3-42447,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)cn1,WRSFJDDNHYXZPO-UHFFFAOYSA-N,3,1,0.457,16,55,431.406,3.809,5,0.391,0.57,1.0,0.7873089575765883,0.6704989377013227,0.7665170310465356,0.7004917414844767,0.7312041669522309
EOS-3-42448,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnn5)cn4)n23)c(F)c1,ZYGMXIFFNXBBSH-UHFFFAOYSA-N,3,1,0.37,14,886,411.444,3.876,5,0.437,0.76,1.0,0.41602700294702216,0.504925981769584,0.5133387019395518,0.5246898773216366,0.4897453909944487
EOS-3-42449,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)cn4)n23)nc1,MAQXFUGFHTUVGH-UHFFFAOYSA-N,3,1,0.446,46,160,413.416,3.67,5,0.406,0.74,1.0,0.5584264272496745,0.5985367692413132,0.6055873483654307,0.5380028784867384,0.5751383558357892
EOS-3-42450,COc1cc(-c2ccnc(F)c2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3)n12,NXFQWXVZWFVKLL-UHFFFAOYSA-N,3,1,0.516,35,429,460.444,4.157,5,0.337,0.67,1.0,0.8754968816393668,0.732643410321431,0.8337502570077445,0.7616253169762183,0.8008789664861902
EOS-3-42451,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nn2C)c(C)n1,OSEIVXAEYXABFQ-UHFFFAOYSA-N,3,1,0.434,31,235,461.917,3.269,5,0.379,0.59,0.999,0.39003495305325203,0.34409053526146255,0.1211962853813995,0.12314097731478309,0.2446156877527243
EOS-3-42452,Fc1ccc(OCc2cncc3nnc(-c4ccc(-c5cc(F)ncn5)nn4)n23)nc1,VDNNHLYUEZIKGF-UHFFFAOYSA-N,3,1,0.304,54,411,419.355,2.29,5,0.396,0.56,0.988,0.48950551709958195,0.4862757864436982,0.347508738263313,0.35329141251456375,0.4191453635802892
EOS-3-42453,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)n5)n4C)n23)cn1,ZCMUZLNGTNQJTD-UHFFFAOYSA-N,3,1,0.329,8,754,469.9,3.098,6,0.361,0.58,0.989,0.13249605921458432,0.1811304913988075,0.05727845932424097,0.10682098553903091,0.11943149886916593
EOS-3-42454,Clc1ncc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)nn1,OWQYKXJCNKIJSS-UHFFFAOYSA-N,3,1,0.5,15,300,431.847,2.708,5,0.4,0.5,1.0,0.755748406551984,0.7326519772462476,0.12120485230621617,0.16349119320128846,0.44327410732643413
EOS-3-42455,Cc1ncc(-c2ncc(F)cn2)n1Cc1cncc2nnc(-c3ccc(COC(F)F)nc3)n12,DLBWRDNQCIVJOA-UHFFFAOYSA-N,3,1,0.333,85,260,467.415,3.075,5,0.359,0.58,1.0,0.4255020217942567,0.4729370845041464,0.4359965046946748,0.42658145432115685,0.4402542663285587
EOS-3-42456,CCn1cc(-c2cncc(-c3nnc4cncc(Oc5cccnc5Cl)n34)c2)cn1,XVWPNXZKRQQFQR-UHFFFAOYSA-N,3,1,0.387,2,36,418.848,3.91,5,0.399,0.7,1.0,0.32974093619354394,0.41076691110958813,0.4470135700089096,0.42659002124597356,0.40352785963950377
EOS-3-42457,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)nc5)n34)nc2)cn1,BFNLZLAIAJGVSG-UHFFFAOYSA-N,3,1,0.302,70,392,475.516,4.028,6,0.368,0.66,1.0,0.3119731341237749,0.13390103488451785,0.3362517990542115,0.21951031457747927,0.2504090706599959
EOS-3-42458,CCn1c(-c2ccccc2Cl)nnc1-c1cncc2nnc(-c3cc(F)ccc3Cl)n12,PKPOTSZNPPYDPF-UHFFFAOYSA-N,3,1,0.417,22,252,454.296,5.183,5,0.374,0.71,1.0,0.20424405455417724,0.45548625865259407,0.5506048248920568,0.8167449112466589,0.5067700123363718
EOS-3-42459,Fc1ccnc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)c1,XFHZVCSYTFEMGZ-UHFFFAOYSA-N,3,1,0.421,54,873,466.839,3.591,5,0.374,0.56,0.987,0.7729936262079364,0.6802480981426907,0.7068741004728942,0.7715800836131862,0.732923977109177
EOS-3-42460,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ncns5)cn4)n23)cc1F,BERJVGBHQPLNAX-UHFFFAOYSA-N,3,1,0.305,94,515,471.456,4.107,6,0.378,0.66,0.977,0.27191419368103625,0.37275546569803303,0.5739668288671098,0.6313223905147008,0.46248971969022
EOS-3-42461,COc1nc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1c[nH]c(=N)cn1,FWKWBHSKQGGQOM-UHFFFAOYSA-N,3,1,0.495,13,573,446.858,3.51,5,0.423,0.63,1.0,0.5352614625454047,0.5738040572955931,0.4212870947844562,0.382453224590501,0.4782014598039888
EOS-3-42462,COc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)nn2)n1,FOWYNLKLFCQKBT-UHFFFAOYSA-N,3,1,0.406,53,411,445.418,2.202,5,0.344,0.57,0.992,0.707473785210061,0.5365807689671716,0.16937667055033925,0.13386676718525117,0.38682449797820573
EOS-3-42463,Clc1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccc4)n23)nc1,RCEYEZSFVBZNFV-UHFFFAOYSA-N,3,1,0.459,97,700,450.289,4.529,5,0.364,0.67,1.0,0.7470015763141663,0.8323110136385443,0.5026985813172503,0.6372335686382017,0.6798111849770406
EOS-3-42464,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)cn2)nn1,YQAOAZCYCRLMRL-UHFFFAOYSA-N,3,1,0.392,80,34,479.439,2.608,6,0.348,0.65,1.0,0.5557621136316908,0.49085909122061544,0.172683503529573,0.16106675347817148,0.3450928654650127
EOS-3-42465,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)nc2Cl)nc1,OXNWJSRTQASRFK-UHFFFAOYSA-N,3,1,0.372,31,662,447.89,3.226,5,0.378,0.61,0.922,0.3195291618120759,0.3440991021862792,0.10692378863683093,0.09251422109519566,0.21576656843259542
EOS-3-42466,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(Cl)c1,ASUUBRWFPNAGRB-UHFFFAOYSA-N,3,1,0.359,62,341,483.963,4.713,6,0.391,0.84,0.984,0.16787745870742238,0.20315605510246043,0.41375676787060517,0.4736909738880132,0.3146203138921253
EOS-3-42467,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c(Cl)c1,XTBDWFCOEMKPLF-UHFFFAOYSA-N,3,1,0.424,73,379,471.283,4.007,5,0.358,0.69,1.0,0.6741056130491399,0.70002056061956,0.6666181207593722,0.7196987869234459,0.6901107703378795
EOS-3-42468,Cc1nccc(CCOc2cncc3nnc(-c4csc(-c5ncccc5F)c4)n23)c1F,YWUJVZQSSDNSMN-UHFFFAOYSA-N,3,1,0.505,75,981,450.474,4.518,5,0.379,0.7,1.0,0.6264478102940169,0.5940905352614625,0.6319734768007675,0.6077633472688644,0.6150687924062779
EOS-3-42469,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnncc5-c5ccc(F)cc5)n34)nc2)o1,AKHIKPIFTRMJTR-UHFFFAOYSA-N,3,1,0.301,32,179,449.449,5.018,6,0.373,0.69,0.966,0.29895997532725654,0.3630234391062984,0.7686930299499691,0.7692156123637859,0.5499730141868275
EOS-3-42470,COCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nnc2F)cn1,XHCGEJLALGFBTA-UHFFFAOYSA-N,3,1,0.404,65,466,459.445,2.34,5,0.341,0.57,0.832,0.5403502158865053,0.34410766911109586,0.18872935371119184,0.15838530601055445,0.3078931361798369
EOS-3-42471,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)c(F)c1,IZFCCHHCHCUZMX-UHFFFAOYSA-N,3,1,0.448,44,130,466.839,3.591,5,0.374,0.57,0.697,0.7676221643478857,0.7551744225892674,0.6055959152902474,0.6891491330272086,0.7043854088136523
EOS-3-42472,COc1cc(-c2nnc3cncc(OCCc4cncs4)n23)ccc1-c1ccccc1,LSHUSLSNAJGPMH-UHFFFAOYSA-N,3,1,0.595,91,955,429.505,4.545,5,0.378,0.71,1.0,0.6466314851620862,0.43348639572339115,0.5097320265917347,0.44867555342334314,0.5096313652251389
EOS-3-42473,Cc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5cncnc5)n34)c2)s1,YHNVLSUUPXXDCM-UHFFFAOYSA-N,3,1,0.471,55,817,419.445,3.731,5,0.429,0.64,1.0,0.6620005482831882,0.617752381605099,0.5027071482420671,0.45185388253032693,0.5585784901651704
EOS-3-42474,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cn2)nc1,IZLPMMMTEMYBJR-UHFFFAOYSA-N,3,1,0.321,10,664,469.871,4.289,6,0.355,0.67,0.978,0.027868206428620382,0.21778836268932905,0.6085258035775478,0.677660886848057,0.38296081488588857
EOS-3-42475,Cc1cnc(CCOc2cncc3nnc(-c4cnnc(-c5nnc(C)s5)c4)n23)cn1,CCTGRMGUHHUXAD-UHFFFAOYSA-N,3,1,0.437,53,779,432.473,2.128,5,0.393,0.54,0.941,0.3554074429442807,0.25345247070111715,0.011522513878418203,0.00715338222191762,0.1568839524364334
EOS-3-42476,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)ccn2)c1,DNFKLTNRJQINQQ-UHFFFAOYSA-N,3,1,0.494,24,912,451.824,4.154,5,0.371,0.62,1.0,0.8298780069906107,0.8287900075388939,0.8606932355561647,0.8713076554040162,0.8476672263724214
EOS-3-42477,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cn2)o1,OZNHTKSPXFBWDQ-UHFFFAOYSA-N,3,1,0.489,87,173,417.404,3.305,5,0.388,0.69,1.0,0.6803766020149408,0.6850969775889246,0.32532040298814335,0.2696696593790693,0.49011591049276954
EOS-3-42478,Cn1cc(-c2ccc(-c3nnc4cncc(COCc5cnc(F)c(Cl)c5)n34)c(F)c2)cn1,RDPBLKKKIULMIA-UHFFFAOYSA-N,3,1,0.454,14,487,467.867,4.235,5,0.347,0.7,1.0,0.4255105887190734,0.5092094441779179,0.8954321156877527,0.8826159961620177,0.6781920361866904
EOS-3-42479,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1Cl,DSBDXUDEWIWXQW-UHFFFAOYSA-N,3,1,0.533,35,161,463.904,4.484,5,0.354,0.66,1.0,0.770217942567336,0.7592522788020012,0.6472911383729696,0.6460403673497361,0.7057004317730108
EOS-3-42480,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)nc1,HTOWQIMPZMBGMU-UHFFFAOYSA-N,3,1,0.402,46,949,448.849,3.718,5,0.375,0.59,1.0,0.7844818723870879,0.6851055445137414,0.5506133918168734,0.5415924199849222,0.6404483071756562
EOS-3-42481,Fc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccc(Cl)nn5)s4)n23)c(Cl)c1,KDJPCCQCNZRXKV-UHFFFAOYSA-N,3,1,0.535,34,820,475.296,4.125,5,0.374,0.71,1.0,0.6862620793639915,0.864531217874032,0.33626036597902814,0.5610564731683915,0.6120275340963608
EOS-3-42482,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)nc(F)c5)ns4)n23)cc1,RPUDGCMCLNADJF-UHFFFAOYSA-N,3,1,0.615,97,232,440.41,4.306,5,0.379,0.63,1.0,0.9278322253443904,0.867315468439449,0.82466074977726,0.8386676718525118,0.8646190288534028
EOS-3-42483,CCn1c(C)nc(-c2ncc(F)cn2)c1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,FXONEPWXBFDPGR-UHFFFAOYSA-N,3,1,0.277,33,432,484.499,2.866,6,0.39,0.73,0.684,0.13776471797683504,0.14879035021588652,0.008978137207867864,0.014606606812418614,0.07753495305325202
EOS-3-42484,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ncccc5F)n34)ncn2)ccn1,GIYPKHQLBCBNIR-UHFFFAOYSA-N,3,1,0.426,46,238,418.367,2.896,5,0.402,0.63,0.59,0.5145038037146186,0.48628435336851483,0.5603282845589748,0.5546312795558906,0.5289369302994997
EOS-3-42485,CCc1ccc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)nn1,HTBHEQIBAYDIIY-UHFFFAOYSA-N,3,1,0.419,92,185,414.433,1.913,5,0.41,0.67,1.0,0.25855835789185116,0.18950037694469193,0.027516962511137003,0.015146323075868686,0.1226805051058872
EOS-3-42486,COc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)cn4)n23)cn1,SWPHOKWNBLEUSW-UHFFFAOYSA-N,3,1,0.488,7,85,412.413,2.626,5,0.415,0.71,1.0,0.49696730861489957,0.35854293742718113,0.31042252073195803,0.1826982386402577,0.33715775135357406
EOS-3-42487,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(C)(O)c6ccccc6)nc5)n34)nc2)cn1,TWSVIBUFUGUQEK-UHFFFAOYSA-N,3,1,0.357,30,714,474.528,3.905,6,0.404,0.62,1.0,0.07513193064217669,0.09785998218079638,0.8017356589678569,0.6543502844219039,0.4072694640531834
EOS-3-42488,CC#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cncn5C)nc4C)n23)cn1,ZUXKPVKIWWWUER-UHFFFAOYSA-N,3,1,0.419,7,535,437.467,2.636,5,0.386,0.54,1.0,0.32179082996367625,0.1643307518333219,0.18560242615310807,0.1005157288739634,0.19305993420601741
EOS-3-42489,COc1ncc(COc2cncc3nnc(-c4ccc(-c5nnc(C)o5)c(F)c4)n23)c(F)c1C#N,DNJOQJLSRPOVTN-UHFFFAOYSA-N,3,1,0.473,16,214,476.403,3.282,5,0.359,0.67,1.0,0.7957645123706394,0.7233140291960798,0.5739753957919266,0.44550579124117606,0.6346399321499554
EOS-3-42490,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)nc(C)n2)cn1,LRFPUIULNASMOW-UHFFFAOYSA-N,3,1,0.364,7,330,463.864,3.422,5,0.361,0.59,0.999,0.7011770954698101,0.5893358919882119,0.35875711054759785,0.34371359056952916,0.4982459221437873
EOS-3-42491,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cc(F)nc(Cl)n4)n23)c1,XYKCLUXWWVHDKU-UHFFFAOYSA-N,3,1,0.474,26,561,450.865,3.396,5,0.289,0.7,1.0,0.7104807758207115,0.6511548214652868,0.45767082448084434,0.454946542389144,0.5685632410389966
EOS-3-42492,c1cncc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5c[nH]nn5)n4)n23)c1,MIAOSLHTLLIPPU-UHFFFAOYSA-N,3,1,0.244,76,114,419.412,2.49,6,0.457,0.53,0.665,0.05144438352409019,0.05627612912069083,0.09650640805976286,0.13387533411006786,0.08452556370365294
EOS-3-42493,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5nc(C)cnc5Cl)n34)c2)nn1,AOEHDNJDANTUHQ-UHFFFAOYSA-N,3,1,0.426,87,838,459.901,3.325,5,0.376,0.56,1.0,0.5170995819340689,0.5791583853060106,0.12642210951956687,0.14068603933931875,0.3408415290247413
EOS-3-42494,N#Cc1cc(-c2nnc3cncc(OCc4csc(-c5cnco5)n4)n23)ccc1Cl,LNOZHRTZFNTBRI-UHFFFAOYSA-N,3,1,0.541,4,436,435.856,4.007,5,0.406,0.63,1.0,0.7165632924405455,0.832319580563361,0.5540487286683572,0.5804691248029608,0.670850181618806
EOS-3-42495,Fc1ccc(CNCc2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)cc1,OBBILFOSANKDLA-UHFFFAOYSA-N,3,1,0.528,97,71,475.915,4.243,5,0.359,0.68,1.0,0.52514392433692,0.4598382564594613,0.7687015968747858,0.7642553628949352,0.6294847851415256
EOS-3-42496,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)o1,OKJIZCAAWSSADW-UHFFFAOYSA-N,3,1,0.581,88,222,451.408,4.794,5,0.369,0.68,1.0,0.9053783153999041,0.8250034267699267,0.9237629360564732,0.8990302241107532,0.8882937255842643
EOS-3-42497,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)ccn2)[nH]c1F,RMUMEYSSBSUOKY-UHFFFAOYSA-N,3,1,0.473,55,239,438.373,3.276,5,0.42,0.55,1.0,0.7438318141319992,0.690014392433692,0.6938266739771092,0.6460489342745528,0.6934304537043383
EOS-3-42498,COc1ncc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)cc1-c1cnc(C)nn1,YJOOGYMHWLNOFL-UHFFFAOYSA-N,3,1,0.438,92,185,459.445,2.777,5,0.374,0.59,1.0,0.5278339387293537,0.4862929202933315,0.19554005894044274,0.10907408676581454,0.3296852511822356
EOS-3-42499,Cc1ccc(-c2nnc3cncc(-c4cc(F)ccc4OCc4ccc(Cl)cc4)n23)cn1,MAAKSXQSJWEVEN-UHFFFAOYSA-N,3,1,0.424,57,533,445.885,5.533,5,0.355,0.84,1.0,0.5534147762319238,0.7233225961208964,0.9369988348982249,0.9351569460626413,0.7872232883284216
EOS-3-42500,Cc1nsc(COc2cncc3nnc(-c4cncc(-c5cncc(F)c5)c4)n23)n1,ODOQIXBZNWFEKS-UHFFFAOYSA-N,3,1,0.46,2,419,420.433,3.126,5,0.427,0.62,1.0,0.43004249194709065,0.48165821396751424,0.1887379206360085,0.2284970187101638,0.3322339113151943
EOS-3-42501,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c(OC)n1,HTFSFFFVNGKWGF-UHFFFAOYSA-N,3,1,0.469,26,456,460.473,3.234,5,0.348,0.62,0.99,0.4969758755397163,0.3680522239736824,0.24868069357823316,0.16624117606743882,0.31998749228976764
EOS-3-42502,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)n1,HXKOZCOKSGANLT-UHFFFAOYSA-N,3,1,0.408,80,816,453.426,2.006,6,0.364,0.57,1.0,0.33917312041669523,0.2031646220272771,0.06941779178945925,0.04944829004180659,0.16530095606880957
EOS-3-42503,O=c1[nH]n(-c2ccccc2)cc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,SNQYDBUYXJJOPJ-UHFFFAOYSA-N,3,1,0.278,30,945,450.437,3.533,6,0.412,0.64,0.925,0.1570917003632376,0.2486207251045165,0.6085343705023645,0.6487903502158865,0.4157592865465013
EOS-3-42504,N#Cc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ncn2)c1,UANCAKWEDPHEKW-UHFFFAOYSA-N,3,1,0.614,1,996,471.427,4.3,5,0.345,0.7,1.0,0.8975224453430196,0.8758481255568501,0.9289716263450072,0.8921681173326023,0.8986275786443698
EOS-3-42505,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)s4)n23)c(F)c1,QJSBNNGKOCQTIP-UHFFFAOYSA-N,3,1,0.523,4,850,418.457,4.336,5,0.423,0.72,1.0,0.615199438009732,0.759260845726818,0.4543211568775272,0.4581762730450278,0.5717394284147762
EOS-3-42506,c1csc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nccs6)nc5)n34)n2)c1,PJBOOQZIIZAEMI-UHFFFAOYSA-N,3,1,0.456,6,297,460.504,4.0,6,0.363,0.67,1.0,0.34643787266122955,0.45092865465012677,0.05156432047152354,0.054605578781440615,0.2258841066410801
EOS-3-42507,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C(F)(F)F)nn5)cnn4)n23)cn1,BSPFNQMVOTZGRI-UHFFFAOYSA-N,3,1,0.439,92,52,477.37,2.298,5,0.366,0.62,1.0,0.6067867178397642,0.6802566650675074,0.617495373860599,0.45495510931396066,0.5898734665204578
EOS-3-42508,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cc(Cl)cs5)n4)n23)c1,ULQCPTGIVQRMOA-UHFFFAOYSA-N,3,1,0.307,39,527,476.888,3.745,6,0.378,0.66,0.999,0.05299499691590707,0.21282811322047837,0.12121341923103283,0.31542560482489207,0.17561553354807757
EOS-3-42509,COc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ncco4)cn3)n12,VGFDUNDXKVEBTG-UHFFFAOYSA-N,3,1,0.293,32,179,454.475,4.035,6,0.38,0.66,0.992,0.16788602563223906,0.09484442464532931,0.32532896991296006,0.2669710780618189,0.21375762456308683
EOS-3-42510,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C)nc5F)n34)nc2F)nn1,SKXKAVMDZGTASF-UHFFFAOYSA-N,3,1,0.411,46,223,447.409,2.907,5,0.375,0.54,1.0,0.6407374408882187,0.5230021931327531,0.27786820642862037,0.23726954972243164,0.419719347543006
EOS-3-42511,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nn4)n23)cc1F,WSLYJSYVZOXNBT-UHFFFAOYSA-N,3,1,0.408,52,229,486.471,1.655,6,0.372,0.75,1.0,0.09092077307929546,0.0887276403262285,0.003418203001850456,0.01172812007401823,0.048698684120348154
EOS-3-42512,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2F)n(C)n1,JFXRYSBHPGAQFU-UHFFFAOYSA-N,3,1,0.439,31,814,449.425,2.585,5,0.364,0.56,0.968,0.5403587828113221,0.4509372215749435,0.1322647522445343,0.1503923651566034,0.31848828044685085
EOS-3-42513,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccnnc6)n5)n34)s2)cc1,JFNPYKNDBPOOJB-UHFFFAOYSA-N,3,1,0.284,30,541,433.5,5.039,6,0.387,0.72,1.0,0.07514049756699336,0.10109827976149681,0.4717034473305462,0.5380114454115551,0.2964884175176479
EOS-3-42514,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccc2Cl)cs1,PKSKNYRYGSPDRS-UHFFFAOYSA-N,3,1,0.561,97,214,440.941,4.912,5,0.386,0.73,1.0,0.6067952847645809,0.7420241929956822,0.4360050716194915,0.47369954081282983,0.5646310225481461
EOS-3-42515,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4Cl)n23)ccn1,GYQBGBUMGQWNII-UHFFFAOYSA-N,3,1,0.489,58,271,432.875,3.555,5,0.409,0.58,0.997,0.7165718593653622,0.7721626345007196,0.36620176821328215,0.35329997943938046,0.5520590603796861
EOS-3-42516,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ncn2)s1,JAHOOEGHJHEAJA-UHFFFAOYSA-N,3,1,0.367,7,395,437.876,3.036,5,0.382,0.58,0.922,0.39646014666575286,0.46857651977246245,0.08235384826262765,0.09851963539167981,0.2614775375231307
EOS-3-42517,COCc1csc(COc2cncc3nnc(-c4ccc(-c5ncn(C)n5)cc4Cl)n23)n1,IERXAFAZWQHNKF-UHFFFAOYSA-N,3,1,0.517,36,610,468.93,3.422,5,0.357,0.64,1.0,0.37629360564731684,0.5458501816188062,0.1504951682544034,0.1455434857103694,0.304545610307724
EOS-3-42518,Cc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccnnc1,QKKPSIPIOBMUSX-UHFFFAOYSA-N,3,1,0.441,18,578,428.431,3.107,5,0.38,0.56,1.0,0.7438403810568158,0.6314937290110342,0.4470221369337263,0.3889640874511685,0.5528300836131862
EOS-3-42519,Cc1nnc(-c2cccc(-c3nnc4cncc(COc5ccnc(C(F)F)n5)n34)c2)s1,WOEZKBGBPLOAJM-UHFFFAOYSA-N,3,1,0.349,14,351,452.45,3.925,5,0.382,0.59,1.0,0.4093790692892879,0.4554948255774107,0.2816376533479542,0.19894969501747653,0.33636531080803234
EOS-3-42520,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5csnn5)cc4F)n23)cc1,KHDZCNTVVWXIOG-UHFFFAOYSA-N,3,1,0.321,64,27,470.468,4.712,6,0.368,0.75,1.0,0.15425604824892056,0.2791104105270372,0.6557124254677541,0.7538037146186005,0.4607206497155781
EOS-3-42521,Cc1cnc(-c2ccc(-c3nnc4cncc(Cc5ccnc(-c6nnco6)c5)n34)cc2F)cn1,NDQNHGKOFRWBKY-UHFFFAOYSA-N,3,1,0.318,70,693,465.452,3.732,6,0.375,0.56,1.0,0.3391816873415119,0.35348845178534716,0.4251764786512234,0.39802789390720306,0.37896862792132135
EOS-3-42522,CCNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccc(Cl)c(F)c4)n23)cc1,MPFJCBCLDWQHCL-UHFFFAOYSA-N,3,1,0.412,62,3,478.94,5.124,5,0.379,0.83,1.0,0.3041600986909739,0.4107754780344048,0.634929065862518,0.642999109039819,0.4982159379069289
EOS-3-42523,COc1ncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)cc1F,JKFSORYGWPJHBM-UHFFFAOYSA-N,3,1,0.341,63,66,405.393,2.288,5,0.543,0.84,1.0,0.37155609622369956,0.314962990884792,0.09433040915632925,0.10682955246384758,0.22191976218216714
EOS-3-42524,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(C(F)F)c5)n34)nc2)n1,AKEOFGKSWGDUNT-UHFFFAOYSA-N,3,1,0.529,36,258,469.843,3.547,5,0.371,0.64,1.0,0.5020474950311836,0.7680590775135357,0.6692910013021726,0.6487989171407031,0.6470491227468987
EOS-3-42525,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)c2)o1,VVPFCQPAHMLWBJ-UHFFFAOYSA-N,3,1,0.711,91,660,431.883,5.03,5,0.375,0.72,1.0,0.9053868823247208,0.8728668357206497,0.7044153930505106,0.6921218559385923,0.7936977417586184
EOS-3-42526,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nncs5)c4)n23)cc1,ZWLVBKJQQMGYJL-UHFFFAOYSA-N,3,1,0.483,71,49,469.494,2.474,6,0.358,0.63,1.0,0.45777362757864437,0.2534610376259338,0.07573161537934343,0.06689054896854225,0.213464207388116
EOS-3-42527,CC(C)Oc1ccc(Cc2cncc3nnc(-c4ccc(-c5cccc(F)c5)c(F)c4)n23)nn1,ATFLWRHSDUDJRE-UHFFFAOYSA-N,3,1,0.386,14,358,458.472,4.905,5,0.36,0.74,1.0,0.6741141799739565,0.755182989514084,0.8320454389692276,0.7993369200191899,0.7651698821191145
EOS-3-42528,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ccn3)n12,QWKIZBOVSTZBNC-UHFFFAOYSA-N,3,1,0.528,11,0,452.902,4.724,5,0.371,0.67,1.0,0.864685422520732,0.8967428551847029,0.7093156740456446,0.7616338839010349,0.8080944589130286
EOS-3-42529,Fc1cc(F)c(F)c(-n2cc(-c3cncc4nnc(-c5cccnc5-c5nc[nH]n5)n34)nn2)c1,FKQFQVMCYCNHRG-UHFFFAOYSA-N,3,1,0.264,10,872,461.371,2.636,6,0.397,0.55,0.651,0.03792577616338839,0.17688129668974026,0.4506031115070934,0.5512559111781234,0.30416652388458637
EOS-3-42530,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5Cl)n4)n23)c(Cl)c1,QPNXXVUMZZXZAK-UHFFFAOYSA-N,3,1,0.379,22,316,477.315,3.977,5,0.417,0.59,1.0,0.23446816530738127,0.32029161812075935,0.4955623329449661,0.6108046055787815,0.41528168048797204
EOS-3-42531,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)nn6)n5)n34)cn2)ccn1,CJEKOZQIMBQVNF-UHFFFAOYSA-N,3,1,0.28,10,719,471.847,3.079,6,0.356,0.6,0.357,0.021237406620519497,0.1895089438695086,0.2851158248235213,0.39502090329655265,0.22272076965252552
EOS-3-42532,COc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3ccc(F)nc3)n12,JSBBJCLZYWKLMX-UHFFFAOYSA-N,3,1,0.505,49,710,461.432,3.552,5,0.339,0.63,1.0,0.862543691316565,0.7049551093139607,0.5062624220409842,0.4328867109862244,0.6266619834144336
EOS-3-42533,COc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1ncccc1F,VUMCJHFYDMZLRE-UHFFFAOYSA-N,3,1,0.44,49,769,461.432,3.552,5,0.339,0.63,1.0,0.7438489479816325,0.5844184771434446,0.42518504557604003,0.37602803097800014,0.5323701254197793
EOS-3-42534,Cn1c(-c2ccc(Cl)nn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)s3)n12,CYMBIWRPDKCOOT-UHFFFAOYSA-N,3,1,0.312,76,272,472.925,3.821,6,0.38,0.63,0.257,0.0931738743060791,0.20317318895209377,0.04794907819888972,0.1253683777671167,0.11741612980604482
EOS-3-42535,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cc4F)n23)c(C(F)F)c1,HFYAKAVCENJGFF-UHFFFAOYSA-N,3,1,0.337,96,315,479.397,4.23,5,0.378,0.7,0.183,0.3145260777191419,0.41078404495922144,0.9411966280583921,0.9094818723870879,0.6439971557809608
EOS-3-42536,Fc1cccc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ncccc5F)c4)n23)n1,AJINKLNAQRSEHW-UHFFFAOYSA-N,3,1,0.495,11,639,465.851,4.196,5,0.347,0.66,0.95,0.8793262970324173,0.8728754026454664,0.6666266876841889,0.7197073538482627,0.7846339353025839
EOS-3-42537,Fc1ccc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)cc1-c1ccccn1,OACCZPSEJZVBPP-UHFFFAOYSA-N,3,1,0.484,11,490,465.851,4.196,5,0.347,0.66,1.0,0.9582619422931944,0.9544924953738606,0.6750651086286067,0.7330974573367144,0.830229250908094
EOS-3-42538,COc1ncc(F)cc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,UZTBCAUMANZHKW-UHFFFAOYSA-N,3,1,0.315,42,106,476.475,4.52,6,0.358,0.72,1.0,0.5611164416421082,0.5985453361661298,0.6501182235624701,0.5707542320608594,0.5951335583578918
EOS-3-42539,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c(F)c2)ccn1,KRFAGYFIIJHNCR-UHFFFAOYSA-N,3,1,0.5,37,132,465.851,4.196,5,0.347,0.65,1.0,0.8774672743472003,0.9435439654581591,0.7755037351792201,0.8206514289630594,0.8542916009869098
EOS-3-42540,Clc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cc1,ZOUUXPDSGOZHAZ-UHFFFAOYSA-N,3,1,0.529,19,207,464.316,4.572,5,0.34,0.69,1.0,0.7616253169762183,0.8133695428688917,0.7301333013501473,0.8224761839490097,0.7819010862860668
EOS-3-42541,CCc1nc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)ccc1F,LKZNJCRUKQOEBV-UHFFFAOYSA-N,3,1,0.418,11,162,459.46,4.105,5,0.362,0.62,0.999,0.6833578918511412,0.7187135905695292,0.47841134946199715,0.46432732506339525,0.5862025392365157
EOS-3-42543,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)sn2)o1,FGJUPPDHCXTEDG-UHFFFAOYSA-N,3,1,0.477,55,283,426.849,3.234,5,0.39,0.6,1.0,0.5120879309163183,0.6265506133918168,0.08006647933657735,0.11848913713933247,0.33429854019601124
EOS-3-42544,Cn1nnnc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1,BZKXMMHBPGNSFA-UHFFFAOYSA-N,3,1,0.446,92,728,421.812,1.399,5,0.383,0.6,1.0,0.3645654855732986,0.5411726406689055,0.05157288739634021,0.08861627030361181,0.261481820985539
EOS-3-42545,OCc1ccc(-c2nnc3cncc(Cc4cc(-c5cccc(F)n5)ncn4)n23)nc1,QIFFKCPHAHZKEG-UHFFFAOYSA-N,3,1,0.327,85,60,414.404,2.26,5,0.436,0.61,1.0,0.2719227606058529,0.29480501679117266,0.36996264820779934,0.35981084230004795,0.3241253169762182
EOS-3-42546,Cn1ncc(-c2ccccc2)c1-c1nnc2cncc(-c3cccc(-c4ccsc4)n3)n12,GGVJHTJMQBYNTQ-UHFFFAOYSA-N,3,1,0.289,30,301,435.516,4.982,6,0.39,0.69,0.93,0.021245973545336166,0.013681378932218491,0.34361078747172913,0.43289527791104104,0.20285835446508121
EOS-3-42547,COc1cccc(C)c1-c1cc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)ccn1,MBOSNHDTYKOFOL-UHFFFAOYSA-N,3,1,0.402,96,3,427.895,5.491,5,0.379,0.81,1.0,0.5251524912617367,0.6655558220821054,0.8591254883147146,0.8365173737235282,0.7215877938455213
EOS-3-42548,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)ccc2F)cn1,ZCDHJKCRIMBMKT-UHFFFAOYSA-N,3,1,0.474,89,398,484.495,3.197,6,0.378,0.72,1.0,0.41159790281680486,0.2844304708381879,0.292372010143239,0.29960249468850664,0.32200071962168464
EOS-3-42549,Cc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)cc(-c2cnc(C)nc2)n1,BGQZHOFGFSDBFH-UHFFFAOYSA-N,3,1,0.456,13,995,449.396,4.47,5,0.374,0.62,1.0,0.7289253649509972,0.7680676444383524,0.8678980193269824,0.7971523541909397,0.790510845726818
EOS-3-42550,Cn1nncc1-c1ccc(-c2nnc3cncc(OC4CCc5c(F)cccc54)n23)c(F)c1,KTUIGAFXLMSNPJ-UHFFFAOYSA-N,3,1,0.442,37,79,445.433,3.931,6,0.417,0.55,1.0,0.569863271879926,0.6265591803166335,0.7825628812281543,0.7993454869440065,0.6945827050921801
EOS-3-42551,Clc1cnc(-c2ncsc2-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)nc1,FDCAHFLNWVZBTN-UHFFFAOYSA-N,3,1,0.28,94,902,470.909,3.877,6,0.377,0.63,1.0,0.18467719827290796,0.30988280446850797,0.11822356247001577,0.21413885271742855,0.20673060448221509
EOS-3-42552,O=c1cc(-c2ccncn2)cc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)[nH]1,HQAQLHSXOFMLBN-UHFFFAOYSA-N,3,1,0.359,46,486,451.809,2.098,5,0.398,0.56,0.955,0.44618257830169283,0.3727640326228497,0.3626036597902817,0.3824617915153177,0.39100301555753547
EOS-3-42553,COc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cnnn4C)cc3OC)n12,IXZDEKAGGIXKHO-UHFFFAOYSA-N,3,1,0.484,16,638,477.912,3.836,5,0.348,0.72,1.0,0.3763021725721335,0.41548728668357204,0.6204852306216161,0.4643358919882119,0.46915264546638336
EOS-3-42554,COc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cnn2)nn1,HWGMBGMNJOKDOS-UHFFFAOYSA-N,3,1,0.462,54,483,466.383,3.043,5,0.349,0.6,0.996,0.8170276197656089,0.8015557535467068,0.7502741415941334,0.67461962853814,0.7608692858611473
EOS-3-42555,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,GGZQGAPPSYTXIH-UHFFFAOYSA-N,3,1,0.511,35,300,461.432,3.552,5,0.339,0.62,1.0,0.892228085806319,0.7278287985744637,0.6615722020423549,0.5350044548009046,0.7041583853060106
EOS-3-42556,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2)cs1,DWADYKJDQGFWAQ-UHFFFAOYSA-N,3,1,0.6,1,22,434.912,4.851,5,0.393,0.67,1.0,0.5724847508738263,0.7233311630457131,0.5833390446165444,0.5864402714001782,0.6163988074840654
EOS-3-42557,Fc1cccnc1CCOc1cncc2nnc(-c3cccc(-c4ccncc4)c3)n12,KHOMGZHELXXCMK-UHFFFAOYSA-N,3,1,0.548,11,275,412.428,4.009,5,0.419,0.75,1.0,0.7258327050921801,0.7420327599204989,0.6557209923925708,0.6659241998492221,0.6973776643136179
EOS-3-42558,Fc1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1-c1csnn1,IORITPPXSXJCRT-UHFFFAOYSA-N,3,1,0.495,37,490,471.88,4.258,5,0.365,0.7,1.0,0.7134534987320952,0.7933058049482558,0.714464395860462,0.787908642313755,0.752283085463642
EOS-3-42559,Fc1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)co2)ccn1,QSYALGJKNKHFSJ-UHFFFAOYSA-N,3,1,0.478,27,430,439.357,3.892,5,0.367,0.64,0.998,0.6291292577616339,0.7000291275443766,0.7847988486053047,0.6835891988211912,0.6993866081831266
EOS-3-42560,Cc1nc(-c2cc(-c3nnc4cncc(Cc5nncs5)n34)ccn2)cc(-c2c[nH]nn2)n1,NQVDVZUJFKIOJZ-UHFFFAOYSA-N,3,1,0.303,85,60,454.483,2.179,6,0.41,0.56,1.0,0.0712939483243095,0.05246384757727366,0.026403262284970187,0.02772256870673703,0.0444709067233226
EOS-3-42561,CC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(F)c5)c4)n23)cc1,KIGJPVBJAGRXOX-UHFFFAOYSA-N,3,1,0.512,97,230,440.438,4.169,5,0.289,0.76,1.0,0.8830443424028511,0.6364625454047015,0.7354276608868481,0.5956068809540127,0.7126353574121034
EOS-3-42562,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cnccc5-c5cccc(F)c5)n34)cc2)nc1,WAOQGLMQOIMENX-UHFFFAOYSA-N,3,1,0.37,69,192,463.451,5.256,6,0.355,0.77,1.0,0.34863957233911314,0.442130422863409,0.857617709546981,0.8812024535672675,0.6323975395791926
EOS-3-42563,COc1ncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ccc[nH]1,SWWSMZDYTIWDJY-UHFFFAOYSA-N,3,1,0.426,87,173,447.886,3.86,5,0.378,0.62,0.996,0.5698718388047427,0.5644661092454253,0.41764615173737235,0.3855458844493181,0.48438249605921463
EOS-3-42564,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)c4)n23)ncc1Cl,XJRLBMNDZLKXKB-UHFFFAOYSA-N,3,1,0.554,73,469,468.279,4.668,5,0.37,0.67,1.0,0.8713847577273662,0.8989017202385032,0.8418717017339455,0.8755654170379,0.8719308991844288
EOS-3-42565,Cc1cccc(-c2cnnc(-c3nnc4cncc(COc5ccc(F)nc5)n34)c2)n1,BIANGFUPDMZHMI-UHFFFAOYSA-N,3,1,0.311,85,920,414.404,3.065,5,0.404,0.69,0.993,0.37850387225001714,0.3630320060311151,0.40717736961140427,0.3695600027414159,0.3795683126584881
EOS-3-42566,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cn4)n23)nc1,QJEDHEVAPLMARX-UHFFFAOYSA-N,3,1,0.33,85,60,410.401,1.123,5,0.449,0.67,0.998,0.09563258172846276,0.01963539167980262,0.08499246110616133,0.061921732574874926,0.06554554177232541
EOS-3-42567,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)n6)n5C)n34)cc2)cs1,HLEKOTGTAQZHSU-UHFFFAOYSA-N,3,1,0.329,8,474,469.509,4.22,6,0.356,0.64,1.0,0.15426461517373724,0.2740045233363032,0.15050373517922006,0.20505791241176066,0.1959576965252553
EOS-3-42568,CCn1c(-c2ccc(-c3nnc4cncc(-c5cn(C6COC6)nn5)n34)cn2)cnc1C,QNPIACUMAYENOS-UHFFFAOYSA-N,3,1,0.26,50,974,428.46,2.208,6,0.419,0.53,1.0,0.046749708724556235,0.09164896168871221,0.012996024946885067,0.015737440888218764,0.04178303406209307
EOS-3-42569,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5sncc5Cl)n34)c2)cn1,DGBHUFVLLLOSEW-UHFFFAOYSA-N,3,1,0.488,16,388,437.916,4.364,5,0.392,0.66,1.0,0.33454698101569463,0.38241038996641763,0.3328421629771777,0.3729439380439997,0.35568586800082236
EOS-3-42570,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)ccn1,AZIGHPWMNJDTRJ-UHFFFAOYSA-N,3,1,0.317,32,191,452.478,4.573,6,0.362,0.65,1.0,0.21795113426084572,0.36304057295593173,0.6056044822150641,0.607771914193681,0.44859202590638064
EOS-3-42571,Cc1ncc(-c2cnn(C)c2-c2nnc3cncc(-c4cc(-c5cnn(C)c5)ncc4F)n23)cn1,VAMDYQJLCOWBRE-UHFFFAOYSA-N,3,1,0.253,86,967,467.472,2.892,6,0.388,0.53,0.996,0.0672760605852923,0.12362072510451648,0.2592608457268179,0.21951888150229593,0.16741912822973065
EOS-3-42572,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cc(F)cc(Cl)c5)n4)n23)cn1,CMCJBYYDYAFXHC-UHFFFAOYSA-N,3,1,0.308,10,871,472.875,3.627,6,0.386,0.58,0.848,0.10307723939414708,0.22819717634158043,0.37400623672126654,0.46752278802001235,0.2932008601192516
EOS-3-42573,Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc(-c2ccnc(F)c2)n1,OXGPQCXBCCZMOH-UHFFFAOYSA-N,3,1,0.534,4,43,447.861,4.323,5,0.37,0.6,1.0,0.6152080049345487,0.680265231992324,0.730141868274964,0.7169059694332123,0.6856302686587623
EOS-3-42574,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)c(F)c1,OERJTXXSECHPOD-UHFFFAOYSA-N,3,1,0.385,76,870,470.493,4.642,6,0.362,0.73,1.0,0.512096497841135,0.5844270440682613,0.417654718662189,0.42336885751490644,0.48438677952162296
EOS-3-42575,FC(F)n1ccnc1-c1ncccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,UTANGRAGJJZXEA-UHFFFAOYSA-N,3,1,0.436,55,62,454.828,4.072,5,0.381,0.61,0.88,0.6587022822287711,0.6177609485299157,0.722405935165513,0.7197159207730793,0.6796462716743198
EOS-3-42576,COc1cc(-c2ncnn2C)ccc1-c1nnc2cncc(OCCc3cn(C)nc3OC)n12,WSRGKRSFDNUGHX-UHFFFAOYSA-N,3,1,0.534,15,460,461.486,1.959,5,0.341,0.58,1.0,0.22334829689534644,0.06013981221300802,0.05555650743609074,0.015746007813035433,0.08869765608937016
EOS-3-42577,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)s1,WYFHNOJATZNQIJ-UHFFFAOYSA-N,3,1,0.433,89,398,485.533,2.879,6,0.369,0.75,1.0,0.2826057158522377,0.10781474881776437,0.01786203824275238,0.019215612363785894,0.10687452881913509
EOS-3-42578,c1csc(-c2cnccc2-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,WIHYOILCSSYKLT-UHFFFAOYSA-N,3,1,0.297,86,790,434.488,4.434,6,0.405,0.62,0.999,0.16253169762182168,0.1527311356315537,0.4323983962716743,0.4518624494551436,0.2998809197450483
EOS-3-42579,CCc1cnc(COc2cncc3nnc(-c4cccc(-c5sc(C)nc5C)c4)n23)cn1,KWYYSYIXYWKDLF-UHFFFAOYSA-N,3,1,0.471,4,506,443.536,4.463,5,0.382,0.63,1.0,0.2964584332807895,0.2177969296141457,0.1237235282023165,0.07243334932492633,0.1776030601055445
EOS-3-42580,Cc1nnc(-c2cc(F)nc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)c2)o1,PNCPXUZHWJMHHA-UHFFFAOYSA-N,3,1,0.322,10,543,470.403,3.342,6,0.353,0.6,0.997,0.20142553628949353,0.30475978342814064,0.2523644712494003,0.3437221574943458,0.2755679871153451
EOS-3-42581,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cnn2)c1,HZICCFNARXSLRC-UHFFFAOYSA-N,3,1,0.679,19,781,448.408,4.287,5,0.386,0.59,1.0,0.9615602083476116,0.9564114865327942,0.9189054896854225,0.9256305256665067,0.9406269275580837
EOS-3-42582,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ncn2)ncn1,HNVRHNILNZXHQF-UHFFFAOYSA-N,3,1,0.461,46,395,415.392,2.46,5,0.399,0.65,0.896,0.6377732849016517,0.4379668974025084,0.32894421218559383,0.26387841820300184,0.41714070317318896
EOS-3-42583,Cc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccnc(F)c5)n34)n2)nn1,FUZWCTSSNIVQAT-UHFFFAOYSA-N,3,1,0.441,53,241,415.392,2.46,5,0.399,0.65,1.0,0.532725652799671,0.5182132821602358,0.18874648756082515,0.16887122198615584,0.35213916112672194
EOS-3-42584,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cn1,XRCRBAHFZWAQAD-UHFFFAOYSA-N,3,1,0.35,10,673,468.883,4.894,6,0.366,0.7,0.812,0.024372901103419917,0.22318552532382976,0.7665255979713522,0.8284987320951271,0.46064568912343223
EOS-3-42585,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,MMSMPPSPCDECSP-UHFFFAOYSA-N,3,1,0.488,18,840,410.441,2.968,5,0.421,0.76,1.0,0.5640977314783086,0.31497155780960867,0.3033376739085738,0.22850558563498047,0.3527281372078679
EOS-3-42586,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnn5)cnn4)n23)nn1,PZFTXBUERATBAP-UHFFFAOYSA-N,3,1,0.248,53,286,412.377,0.25,5,0.43,0.63,0.974,0.13504900280995133,0.01055445137413474,0.015454732369268727,0.009877664313617984,0.04273396271674319
EOS-3-42587,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)cs1,QULTVXPGZNUTSA-UHFFFAOYSA-N,3,1,0.495,2,265,467.917,4.427,5,0.365,0.69,1.0,0.7104893427455281,0.7233397299705298,0.589618600507162,0.5956154478788294,0.6547657802755122
EOS-3-42588,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)cn5)nc(C)c4Cl)n23)cc1,OVADDQHUJBEJFS-UHFFFAOYSA-N,3,1,0.523,89,770,457.925,4.801,5,0.374,0.66,1.0,0.8170361866904257,0.7506510862860668,0.47491604413679667,0.4389949283805085,0.6203995613734494
EOS-3-42589,FC(F)c1ccc(-c2nnc3cncc(OCc4ncnnc4-c4cnco4)n23)nc1,GTMRNPCUSDISHF-UHFFFAOYSA-N,3,1,0.435,7,62,423.343,2.543,5,0.401,0.58,0.968,0.5557706805565075,0.42890309094647383,0.3662103351380988,0.3533085463641971,0.42604816325131933
EOS-3-42590,Cc1cc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ncn2)ccn1,JFYJERWJSSBGEH-UHFFFAOYSA-N,3,1,0.396,44,971,450.289,5.051,5,0.378,0.7,0.998,0.5837074223836611,0.6177695154547324,0.7732763347268864,0.8124528819135083,0.6968015386196971
EOS-3-42591,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nc1,XWSUQJPVFTWXCX-UHFFFAOYSA-N,3,1,0.471,65,65,415.392,2.194,5,0.411,0.62,1.0,0.6862706462888082,0.5644746761702419,0.20609451031457748,0.21683743403467892,0.41841931670207666
EOS-3-42592,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)ccn2)nc1,IDJUMHDZRCSKJI-UHFFFAOYSA-N,3,1,0.489,65,359,416.38,1.589,5,0.402,0.61,1.0,0.740739154273182,0.5738126242204098,0.085001028030978,0.10263175930368035,0.37554614145706255
EOS-3-42593,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)cnn2)ccc1Cl,MEFCDMROPXIJJM-UHFFFAOYSA-N,3,1,0.457,37,778,444.886,3.622,5,0.391,0.53,1.0,0.6264563772188335,0.7420413268453157,0.36261222671509835,0.41059557261325474,0.5354263758481256
EOS-3-42594,Cc1cccc(COc2cncc3nnc(-c4cccc(-c5cncc(F)c5)c4)n23)n1,SIRLPUPOVHCVOP-UHFFFAOYSA-N,3,1,0.56,1,92,412.428,4.275,5,0.429,0.77,1.0,0.5669076828181756,0.5644832430950586,0.7276574600781304,0.6864933863340416,0.6363854430813516
EOS-3-42595,COc1cc(-c2nc(C)n(C)c2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)ccn1,VHERCJPOSFLZGH-UHFFFAOYSA-N,3,1,0.337,74,121,447.449,4.508,5,0.394,0.65,1.0,0.3785124391748338,0.38695942704406827,0.6776009183743403,0.5642862038242752,0.5018397471043794
EOS-3-42596,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)nn1,WLXMTMDXNRPZRO-UHFFFAOYSA-N,3,1,0.456,53,785,415.392,2.46,5,0.399,0.64,0.982,0.5403673497361388,0.4244568569666233,0.31043108765677474,0.27569220752518675,0.38773687547118085
EOS-3-42597,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)cn2)nc1,ZEOFLNSECJSKKT-UHFFFAOYSA-N,3,1,0.511,65,263,466.839,3.591,5,0.35,0.63,1.0,0.9145620588033719,0.9470478377081762,0.6175039407854157,0.6401720238503187,0.7798214652868207
EOS-3-42598,FC(F)c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccnc(Cl)c5)n4)n23)cn1,ZBLJSBSRCDSMFF-UHFFFAOYSA-N,3,1,0.432,27,975,455.816,3.332,5,0.359,0.61,0.997,0.34161469398944555,0.47294565142896305,0.5896271674319786,0.5610650400932081,0.49131313823589884
EOS-3-42599,Fc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nc2)nc1,IWBCHYFYPSMPTB-UHFFFAOYSA-N,3,1,0.464,13,417,453.264,5.487,5,0.358,0.8,1.0,0.8905404016174354,0.9609862243848948,0.9335891988211912,0.95022616681516,0.9338354979096704
EOS-3-42600,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nc1F,NGZDMEFUTXHHDF-UHFFFAOYSA-N,3,1,0.351,51,924,451.853,3.231,5,0.362,0.57,0.971,0.5145123706394352,0.45094578849976014,0.25926941265163456,0.2757007744500034,0.3751070865602083
EOS-3-42601,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)n5)n34)ncn2)s1,ISAMWNGODRXYEP-UHFFFAOYSA-N,3,1,0.365,31,194,451.903,3.078,5,0.359,0.59,0.995,0.4532074566513604,0.5182218490850524,0.05556507436090741,0.072441916249743,0.2748590740867658
EOS-3-42602,COc1ncc(-c2nnc3cncc(OCc4cc(C)n(C)n4)n23)cc1-c1cc(F)cnc1F,QUCZBJACHUTVMQ-UHFFFAOYSA-N,3,1,0.427,92,677,464.436,3.156,5,0.353,0.63,0.998,0.42784079226920707,0.38241895689123434,0.43240696319649097,0.29344287574532246,0.3840273970255637
EOS-3-42603,Cn1nc(-c2nnc3cncc(OCc4cccnc4F)n23)cc1-c1cnn(CCO)c(=O)c1,JDKLOGBKTBQZPD-UHFFFAOYSA-N,3,1,0.363,95,694,463.433,0.854,5,0.348,0.62,0.959,0.18199575080529093,0.060148379137824684,0.08991844287574532,0.09060379686107875,0.10566659241998494
EOS-3-42604,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1ccc(F)c(Cl)c1,QAIVYAXCIJLICA-UHFFFAOYSA-N,3,1,0.615,59,570,470.842,4.842,5,0.367,0.75,1.0,0.6377818518264684,0.6949232403536426,0.9556490302241107,0.9627938455212117,0.8127869919813584
EOS-3-42605,Cc1csc(COc2cncc3nnc(-c4ccc(-c5noc(C)n5)c(Cl)c4)n23)c1,FMSRIQUBYBVRFY-UHFFFAOYSA-N,3,1,0.549,4,677,438.9,4.752,5,0.391,0.68,1.0,0.5866630114454116,0.6949318072784594,0.3852203413062847,0.38247035844013433,0.5123213796175725
EOS-3-42606,COc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3ncc(F)nc3F)n12,MFDQKXANRLDBDU-UHFFFAOYSA-N,3,1,0.421,7,94,449.381,2.299,5,0.381,0.51,0.989,0.6264649441436502,0.5601826468370914,0.21312795558906175,0.16107532040298814,0.39021271674319785
EOS-3-42607,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6csnn6)c5)n34)cn2)c1,OTHVUASXYXVLNQ-UHFFFAOYSA-N,3,1,0.367,30,923,451.49,5.178,6,0.367,0.77,1.0,0.054682681104790624,0.27401309026111986,0.7354362278116647,0.7926118840381057,0.4641859708039202
EOS-3-42608,c1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)cc3nccn23)cc1,YOAVSLKMJCUHGQ-UHFFFAOYSA-N,3,1,0.397,32,20,467.496,4.625,7,0.372,0.65,1.0,0.12972894249880063,0.09165752861352888,0.43601363854430814,0.5013021725721335,0.2896755705571928
EOS-3-42609,Fc1cc(-c2nnc3cncc(OCc4csc(-c5cncs5)n4)n23)ccc1Cl,NAWYEUREKQSOGK-UHFFFAOYSA-N,3,1,0.568,4,436,444.904,4.743,5,0.389,0.68,1.0,0.7676307312727023,0.8967514221095195,0.5506219587416901,0.6313309574395175,0.7115837673908574
EOS-3-42610,Fc1ncc(-c2cc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)nn5)n34)ccn2)cn1,HWQVRGIPKPOWJZ-UHFFFAOYSA-N,3,1,0.341,85,362,454.351,2.577,5,0.298,0.65,1.0,0.3345555479405113,0.3962973750942362,0.6175125077102324,0.48258344184771435,0.4577372181481736
EOS-3-42611,Cn1ncnc1-c1ncsc1COc1cncc2nnc(-c3ccc(C(F)F)cc3F)n12,KRZVZWMDWLDDOQ-UHFFFAOYSA-N,3,1,0.478,36,45,458.429,3.699,5,0.383,0.61,1.0,0.5171081488588856,0.6221729148104996,0.49557089986978275,0.5149492838050853,0.5374503118360634
EOS-3-42612,CN(C)c1cccc(COc2cncc3nnc(-c4ncc(-c5nnco5)cn4)n23)c1,JZXPBZACNSDEAO-UHFFFAOYSA-N,3,1,0.443,92,875,415.417,2.276,5,0.408,0.65,1.0,0.33692858611472826,0.08545507504626139,0.13521177438146803,0.04795764512370639,0.15138827016654102
EOS-3-42613,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)s2)nn1,FTQKIJRWNVHIEU-UHFFFAOYSA-N,3,1,0.306,38,865,442.533,4.439,6,0.401,0.58,1.0,0.03267425125077102,0.08215680899184429,0.2556456034541841,0.28155198409978754,0.16300716194914672
EOS-3-42614,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)cc1,ZJCRUHRVDHIUQX-UHFFFAOYSA-N,3,1,0.561,15,187,450.865,3.396,5,0.366,0.56,1.0,0.8513638544308135,0.8093687889795079,0.5371461860050716,0.5449335206634227,0.6857030875197039
EOS-3-42615,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)n4)n23)ccc1-c1cccnc1,ZPNKXRHCGBBCGI-UHFFFAOYSA-N,3,1,0.433,13,209,448.845,4.842,5,0.355,0.71,1.0,0.8941642108148858,0.8460009594955795,0.8591340552395312,0.8124614488383249,0.8529401685970804
EOS-3-42616,Cc1ccc(Cl)c(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)cc(Cl)n4)n23)c1,RMHIYRDVBJVTPG-UHFFFAOYSA-N,3,1,0.333,45,274,452.28,5.065,5,0.356,0.73,1.0,0.26393838667671854,0.42891165787129054,0.8546621204852306,0.9002724282091701,0.6119461483106025
EOS-3-42617,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(-c4cccnn4)ccn3)n12,GOCPNGDPBRGMLU-UHFFFAOYSA-N,3,1,0.444,31,88,413.445,2.307,5,0.417,0.69,1.0,0.22904530189843053,0.08216537591666095,0.08007504626139401,0.06193029949969159,0.11330400589404427
EOS-3-42618,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)ccc1F,GTCMUPVTKLWJIM-UHFFFAOYSA-N,3,1,0.529,24,486,414.404,3.065,5,0.432,0.66,0.789,0.5955383455554794,0.5230107600575697,0.4033993557672538,0.34373072441916247,0.46641979644986636
EOS-3-42619,Fc1cc(F)nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)c1,MFRBAKDZYNMCQQ-UHFFFAOYSA-N,3,1,0.3,32,20,464.439,4.651,6,0.351,0.7,1.0,0.25076245630868343,0.3869679939688849,0.7848074155301213,0.7971609211157563,0.5549246967308615
EOS-3-42620,Fc1ncc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4cnc(Cl)cn4)c3)n12,DLMVMFDJQVUHKS-UHFFFAOYSA-N,3,1,0.483,16,55,468.279,4.668,5,0.346,0.71,1.0,0.8793348639572339,0.8585943389760812,0.8465578096086629,0.8728925364950997,0.8643448872592694
EOS-3-42621,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cnn2)cn1,GVJGBZKFBPCRFW-UHFFFAOYSA-N,3,1,0.479,87,778,445.874,3.017,5,0.388,0.51,1.0,0.6068038516893975,0.6559780001370707,0.220084298540196,0.24002809951339868,0.4307235624700158
EOS-3-42622,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ncn2)sc1C,XSESRMLRHZGPDT-UHFFFAOYSA-N,3,1,0.389,31,395,451.903,3.344,5,0.37,0.66,0.763,0.40479576451237065,0.44213898978822563,0.04637276403262285,0.04531903228017271,0.23465663765334796
EOS-3-42623,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5nncn5C)c4)n23)cn1,SGAXJDYLZNVJCT-UHFFFAOYSA-N,3,1,0.446,99,502,470.522,3.023,6,0.365,0.63,0.999,0.36937153039544923,0.2637756151052018,0.08500959495579467,0.06353231444040847,0.1954222637242135
EOS-3-42624,Cc1nc(-c2cnc(C)s2)cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)n1,WVYAPURLXMBVRB-UHFFFAOYSA-N,3,1,0.43,18,851,464.942,3.992,5,0.371,0.62,1.0,0.5196782263038859,0.5458587485436228,0.15356212733877048,0.17164690562675622,0.34768650195325884
EOS-3-42625,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,RBQAOORFXLOXFU-UHFFFAOYSA-N,3,1,0.506,11,639,452.902,4.724,5,0.371,0.71,1.0,0.9053954492495374,0.8989102871633199,0.6413713933246522,0.7302618052223974,0.7939847337399767
EOS-3-42626,COc1ncc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1cc(C)ccn1,AOGXTGQUYUVTGH-UHFFFAOYSA-N,3,1,0.474,35,657,457.469,3.721,5,0.365,0.62,1.0,0.662009115208005,0.5791669522308273,0.5027157151668837,0.382478925364951,0.5315926769926667
EOS-3-42627,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)ccn2)cc1=O,DSGFNBYGSMBMHR-UHFFFAOYSA-N,3,1,0.454,75,359,461.873,2.012,5,0.373,0.58,0.998,0.457782194503461,0.3680607908984991,0.14439551778493592,0.15295387567678706,0.28079809471592077
EOS-3-42628,COCc1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)cc4)n23)cn1,FUDRNPRWGFFDPY-UHFFFAOYSA-N,3,1,0.387,9,558,412.428,4.201,5,0.403,0.81,1.0,0.3964687135905695,0.4643101912137619,0.8055136728120074,0.7715886505380029,0.6094703070385854
EOS-3-42629,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cn2)c(=O)[nH]1,MENKWYNLAHQGCM-UHFFFAOYSA-N,3,1,0.306,33,647,479.504,2.123,6,0.377,0.7,0.251,0.16254026454663834,0.04531903228017271,0.036066753478171475,0.04398259200877253,0.07197716057843877
EOS-3-42630,Cc1cc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)nc4)n23)cc(CF)n1,MJQHUJFKPBWEDX-UHFFFAOYSA-N,3,1,0.366,96,46,414.419,4.832,5,0.421,0.82,1.0,0.3195377287368926,0.4059780001370708,0.8017442258926736,0.8058049482557741,0.5832662257556027
EOS-3-42631,FC(F)(F)c1nccc(COc2cncc3nnc(-c4cnnc(-c5cccnn5)c4)n23)n1,ZWDRTJPXEVGODT-UHFFFAOYSA-N,3,1,0.442,53,52,452.36,2.426,5,0.392,0.51,0.997,0.5482060859433897,0.5985539030909465,0.5236018778699199,0.3565040093208142,0.5067164690562675
EOS-3-42632,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(C(F)F)cc4Cl)n23)cc1,ZXWFGLXTACDWDA-UHFFFAOYSA-N,3,1,0.313,45,315,453.815,5.04,5,0.379,0.7,0.972,0.35306867246933044,0.5230193269823864,0.9432526900143924,0.9669830717565623,0.6965809403056679
EOS-3-42633,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5nccs5)n34)c2)cn1,NGQVOJBTSDPRFQ-UHFFFAOYSA-N,3,1,0.565,87,858,416.47,3.03,5,0.416,0.69,0.999,0.5046261394010007,0.3915512987458022,0.09651497498457953,0.08160852580357755,0.26857523473373995
EOS-3-42634,CCn1c(-c2nncc(C)c2F)nnc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,SCWWZBAVMBAEMB-UHFFFAOYSA-N,3,1,0.476,22,311,467.415,3.576,5,0.373,0.62,0.67,0.3715646631485162,0.6129634706325817,0.29961962853813995,0.3919710780618189,0.4190297100952642
EOS-3-42635,Clc1sccc1CCOc1cncc2nnc(-c3cc(-c4cccnc4)ncn3)n12,BLTUHAQFVNGJDG-UHFFFAOYSA-N,3,1,0.433,18,194,435.9,3.98,5,0.398,0.58,0.989,0.5897385374545953,0.6031457747926804,0.3999297512165033,0.4549636762387773,0.511944434925639
EOS-3-42636,Fc1ccc(-c2nc(COc3cncc4nnc(-c5cccc(-c6cnccn6)c5)n34)co2)nc1,SPSIXMDJVKJPHE-UHFFFAOYSA-N,3,1,0.5,28,667,466.436,4.016,6,0.359,0.64,1.0,0.6555924885203207,0.5411812075937221,0.46115756288122817,0.4329038448358577,0.5227087759577821
EOS-3-42637,COc1nccnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3F)n12,ZESWRKBWFNPEBJ-UHFFFAOYSA-N,3,1,0.376,63,437,405.393,2.288,5,0.543,0.85,0.981,0.34393633061476253,0.2791189774518539,0.089927009800562,0.11625316976218217,0.20730887190734013
EOS-3-42638,Fc1ccc(Cl)cc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,VLZXVJKVDQKJRM-UHFFFAOYSA-N,3,1,0.592,34,210,467.291,5.273,5,0.35,0.81,1.0,0.9698187238708793,0.9829860873140978,0.9095418408608046,0.9451802480981427,0.951881725035981
EOS-3-42639,FC(F)c1ccc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)cn1,LAWSSPYNCAGUOY-UHFFFAOYSA-N,3,1,0.512,1,700,436.447,4.826,5,0.38,0.74,1.0,0.5508789664861902,0.6751165101775067,0.6913422657802755,0.6281868960318004,0.6363811596189433
EOS-3-42640,FCc1ccc(Cc2cncc3nnc(-c4scnc4-c4ccnc(F)c4)n23)cn1,IGXLDGTUBPPFGY-UHFFFAOYSA-N,3,1,0.32,85,81,421.436,3.904,5,0.4,0.63,0.946,0.18468576519772462,0.21283668014529505,0.4324155301213077,0.47058118017956274,0.32512978891097255
EOS-3-42641,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6F)nn5)n34)nc2)ccc1F,XZKDBCMGNMDGNG-UHFFFAOYSA-N,3,1,0.278,10,783,466.455,4.688,6,0.375,0.66,0.98,0.013321568089918443,0.16029573024467136,0.7755123021040368,0.8167534781714756,0.4414707696525255
EOS-3-42642,Cn1nc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)cc1-c1cccnc1,ZRBHCSIETJBUOJ-UHFFFAOYSA-N,3,1,0.409,95,694,420.383,2.839,5,0.404,0.6,1.0,0.4116064697416216,0.3488366116098965,0.5636522513878418,0.5380200123363718,0.46552883626893293
EOS-3-42643,Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccc(C)nn5)c4)n23)cn1,GAXIHQVACAPAAI-UHFFFAOYSA-N,3,1,0.477,7,99,411.429,2.629,5,0.43,0.71,1.0,0.2989685422520732,0.18525974916044136,0.1293948324309506,0.08161709272839422,0.17381005414296485
EOS-3-42644,COc1cc(-c2nnc3cncc(OCc4cc(F)cs4)n23)ncc1-c1ccccc1,BZHHHZDWGFDILV-UHFFFAOYSA-N,3,1,0.441,1,700,433.468,4.642,5,0.388,0.68,1.0,0.7584212870947844,0.7141988211911452,0.6666352546090055,0.6139401000616819,0.6882988657391542
EOS-3-42645,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1,XDYQVKBIOIGUAA-UHFFFAOYSA-N,3,1,0.696,48,17,421.234,5.615,4,0.42,0.84,1.0,0.987440888218765,0.9937975464327325,0.9942944280720992,0.9972842848331163,0.9932042868891783
EOS-3-42646,Fc1ncc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ccsc4)nc3F)n12,BOBVDYXGFOFOFT-UHFFFAOYSA-N,3,1,0.477,55,143,456.865,4.82,5,0.353,0.74,1.0,0.8490165170310465,0.852486121581797,0.8303234870810774,0.847894249880063,0.8449300938934959
EOS-3-42648,Fc1cc(Cc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)ccc1C(F)F,QRBQDAMSRYSPPE-UHFFFAOYSA-N,3,1,0.429,23,225,423.225,5.766,4,0.419,0.85,1.0,0.665050373517922,0.9059951339867042,0.9972071825097663,0.9995031183606332,0.8919389520937564
EOS-3-42649,Clc1ccc(CCOc2cncc3nnc(-c4cc(Cl)cc(-c5ccnnc5)c4)n23)nc1,WGXRPXUMGAGGFQ-UHFFFAOYSA-N,3,1,0.528,37,202,464.316,4.572,5,0.364,0.63,1.0,0.6741227468987732,0.8093773559043246,0.7568621067781509,0.8186810362552258,0.7647608114591186
EOS-3-42650,Cc1nc(F)ccc1-c1nncnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,OTVLDEWRRREROO-UHFFFAOYSA-N,3,1,0.327,70,687,462.452,3.61,6,0.362,0.57,0.996,0.2639469536015352,0.25346960455075046,0.26645706257281887,0.30930025358097457,0.27329346857651976
EOS-3-42651,CCn1cncc1-c1ccc(C#N)c(-c2nnc3cncc(OCCc4ccncc4Cl)n23)c1,JXGCJFXEGGGRSE-UHFFFAOYSA-N,3,1,0.515,26,161,470.924,4.216,5,0.35,0.69,1.0,0.7788448358577205,0.665564389006922,0.6829809471592078,0.6601158248235214,0.6968764992118429
EOS-3-42652,COc1ccc(-c2nnc3cncc(COc4cccnc4)n23)cc1-c1ccccn1,HZJCJEAYVBEYQV-UHFFFAOYSA-N,3,1,0.404,14,189,410.437,3.836,5,0.42,0.83,1.0,0.3530772393941471,0.144960934822836,0.5739839627167432,0.4455143581659927,0.3793841237749298
EOS-3-42653,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)cnc4OC)n23)cc1,PPJIUVYYSINHEW-UHFFFAOYSA-N,3,1,0.453,89,656,484.52,2.842,5,0.374,0.75,1.0,0.40719450346103764,0.14879891714070317,0.2131365225138784,0.057569734768007676,0.20667491947090672
EOS-3-42654,Fc1cc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)ccn1,XVSJQDYBHQRROK-UHFFFAOYSA-N,3,1,0.484,27,430,449.396,4.299,5,0.357,0.64,0.97,0.6712356932355562,0.817233225961209,0.8720272770886163,0.8058135151805907,0.791577427866493
EOS-3-42655,Cc1noc(C)c1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccc(F)nc5)nc4)n23)cc1,SBGWXARZULWHCA-UHFFFAOYSA-N,3,1,0.345,42,106,464.464,4.721,6,0.345,0.73,1.0,0.3066359399629909,0.3389760811459119,0.5027242820917004,0.45187101637996024,0.4000518298951408
EOS-3-42656,COc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(F)c1,ZZAGRCITWPCKPV-UHFFFAOYSA-N,3,1,0.304,63,108,405.393,2.288,5,0.543,0.87,1.0,0.4116150366664382,0.36806935782331573,0.10449934891371393,0.13169076828181756,0.25396862792132135
EOS-3-42657,COC(=O)c1cnnc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)n1,FLKFGVOJXNUKRT-UHFFFAOYSA-N,3,1,0.321,61,336,413.401,1.83,5,0.406,0.69,1.0,0.16789459255705572,0.06785004454800905,0.05158145432115688,0.033616612980604484,0.08023567610170654
EOS-3-42658,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc[nH]5)c(F)c4)n23)o1,AKRPOPKYYACSPH-UHFFFAOYSA-N,3,1,0.329,76,140,425.427,4.586,6,0.446,0.63,1.0,0.2770457816462203,0.3339301624288945,0.7616167500514015,0.7512936056473168,0.5309715749434583
EOS-3-42659,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nn2C)c(C)n1,GDNUMKRHOWXNOZ-UHFFFAOYSA-N,3,1,0.438,31,569,463.933,3.387,5,0.364,0.61,0.831,0.2042526214789939,0.1109245425262148,0.10172366527311356,0.10683811938866425,0.1309347371667466
EOS-3-42660,Fc1ccccc1-c1nnc2cncc(-c3ccccc3OCCc3cnccc3Cl)n12,YYRLOSBNKZHXBF-UHFFFAOYSA-N,3,1,0.44,96,616,445.885,5.267,5,0.356,0.77,1.0,0.5251610581865533,0.6511633883901035,0.8965972174628195,0.9161983414433555,0.7472800013707079
EOS-3-42661,CCc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)ccn2)cn1,MFHQPETVXLJDQO-UHFFFAOYSA-N,3,1,0.446,51,441,462.876,3.972,5,0.349,0.64,1.0,0.7011856623946269,0.737389486669865,0.5371547529298882,0.514957850729902,0.6226719381810706
EOS-3-42662,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)[nH]n2)nc1,FXEUUSAMZIKZIL-UHFFFAOYSA-N,3,1,0.442,73,263,455.816,2.92,5,0.388,0.55,1.0,0.6377904187512851,0.5049345486944007,0.4682766774038791,0.5282023164964704,0.5348009903365087
EOS-3-42663,COc1c(F)ccc(Oc2cncc3nnc(-c4ccc(-c5cn(C)cn5)c(C)n4)n23)c1F,ROXFXSYDNQHZFZ-UHFFFAOYSA-N,3,1,0.392,13,971,449.421,3.974,5,0.401,0.58,0.747,0.5669162497429923,0.5182304160098691,0.6587108491535878,0.4947827427866493,0.5596600644232745
EOS-3-42664,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)s2)n1,VVSYGXPHCBHCQQ-UHFFFAOYSA-N,3,1,0.422,6,584,468.506,3.377,6,0.39,0.63,1.0,0.37157323007333287,0.4421475567130423,0.08993557672537866,0.06866390240559249,0.24308006647933658
EOS-3-42665,COc1cc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)ccc1-c1cscn1,INHYLEIXRPYYJA-UHFFFAOYSA-N,3,1,0.457,97,383,464.938,4.859,5,0.354,0.74,1.0,0.7165804262901789,0.6802737989171407,0.6615807689671716,0.5579809471592078,0.6541039853334247
EOS-3-42666,Cc1c(-c2cc(F)c(Cl)c(-c3cncc4nnc(-c5ccc(C(N)=O)s5)n34)c2)cnn1C,BUBUXXFQMVMFQY-UHFFFAOYSA-N,3,1,0.294,50,844,467.917,4.12,5,0.428,0.6,0.711,0.12109348228359948,0.18526831608525804,0.4717120142553629,0.4705897471043794,0.31216588993214994
EOS-3-42667,Fc1c(-c2ncno2)ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c1Cl,KUIHKSIOXSXZCQ-UHFFFAOYSA-N,3,1,0.471,73,772,458.24,4.261,5,0.385,0.62,1.0,0.7817918579946542,0.7420498937701323,0.8264426701391269,0.8617212665341649,0.8030014221095196
EOS-3-42668,COc1cc(-c2ncc(F)n2C)ccc1-c1nnc2cncc(OCCc3ccc(F)nc3)n12,IWIVYUIZODRWEM-UHFFFAOYSA-N,3,1,0.551,15,669,463.448,3.495,5,0.341,0.63,1.0,0.7527928174902337,0.5318946610924542,0.6144969501747652,0.482592008772531,0.595444109382496
EOS-3-42669,Fc1nccc(Cl)c1-c1ccc(-c2nnc3cncc(OCc4cccs4)n23)cn1,VJXIANGTOWKYDQ-UHFFFAOYSA-N,3,1,0.585,4,390,438.875,4.681,5,0.371,0.68,1.0,0.7557569734768008,0.8555445137413474,0.7224145020903296,0.7538122815434172,0.7718820677129736
EOS-3-42670,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5Cl)n34)nc(C(F)F)c2)cn1,UKXBPCNWXNXPNL-UHFFFAOYSA-N,3,1,0.359,74,315,480.866,3.944,5,0.407,0.65,0.639,0.12397196902199986,0.2948135837159893,0.8076297032417243,0.733106024261531,0.4898803200603111
EOS-3-42671,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnn2)cc1Cl,BQUWCXXBGVOHJC-UHFFFAOYSA-N,3,1,0.562,11,275,447.861,4.057,5,0.387,0.55,1.0,0.8490250839558632,0.8524946885066137,0.6966794599410595,0.7488006305256665,0.7867499657323007
EOS-3-42672,Cc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3cncn3C)n12,GVCPQAQHLIZVBM-UHFFFAOYSA-N,3,1,0.465,20,460,414.473,2.855,5,0.425,0.68,1.0,0.4230261805222397,0.22319409224864642,0.18875505448564184,0.11849770406414914,0.23836825783016927
EOS-3-42673,Cc1ccccc1-c1nnc2cncc(-c3ccc(C(=O)N4C(C)CCC4C)cn3)n12,SAULBCLKUFSVSZ-UHFFFAOYSA-N,3,1,0.337,0,175,412.497,4.175,5,0.505,0.69,0.484,0.05145295044890686,0.029076142827770542,0.14725687067370297,0.17425125077102324,0.10050930368035091
EOS-3-42674,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)nn2C)cn1,XOZBQVNDUBWGLD-UHFFFAOYSA-N,3,1,0.424,13,956,452.305,4.994,5,0.382,0.73,1.0,0.3145346446439586,0.4107926118840381,0.6992666712356932,0.7488091974504831,0.5433507813035432
EOS-3-42675,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)n1,XAWGAGOBMMPAGF-UHFFFAOYSA-N,3,1,0.467,2,36,449.837,3.113,5,0.373,0.55,1.0,0.6982215064080598,0.6315022959358508,0.44703070385854293,0.4518795833047769,0.5571585223768076
EOS-3-42676,Cn1nccc1-c1cccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,NORAXYIMHQPQPL-UHFFFAOYSA-N,3,1,0.488,72,55,417.86,3.819,5,0.404,0.65,1.0,0.5121050647659516,0.46858508669727916,0.6639966417654719,0.6342351449523679,0.5697304845452676
EOS-3-42677,Fc1cc(-c2cnc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)nc2)ccn1,SVHBXEQSOANLJW-UHFFFAOYSA-N,3,1,0.416,51,434,435.81,2.805,5,0.303,0.65,1.0,0.6318792406277842,0.7592694126516346,0.4251936125008567,0.4360821739428415,0.5631061099307793
EOS-3-42678,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(F)n4)n23)cc1F,KGKBSGBTXLZKER-UHFFFAOYSA-N,3,1,0.588,59,294,440.41,4.306,5,0.379,0.63,1.0,0.8443732437804126,0.784970187101638,0.8706480021931328,0.8648824617915153,0.8412184737166747
EOS-3-42679,Cc1n[nH]c(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)c(C)nn2)n1,OQJVKODEWDFGJH-UHFFFAOYSA-N,3,1,0.363,33,760,443.431,1.056,5,0.386,0.58,0.726,0.3119817010485916,0.1768898636145569,0.019532588582002606,0.006270988965800836,0.12866878555273797
EOS-3-42680,COCc1nncc(-c2cncc(-c3cncc4nnc(-c5ccc(F)cn5)n34)c2)n1,HNUKAXVCYIMOFL-UHFFFAOYSA-N,3,1,0.279,50,859,415.392,2.386,5,0.426,0.61,0.998,0.3439448975395792,0.32484065519841,0.22710917688986362,0.2609399629908848,0.2892086731546844
EOS-3-42681,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ncco5)n34)c(Cl)c2)n1,AXMDSIMVEHZSPE-UHFFFAOYSA-N,3,1,0.321,98,219,456.857,3.352,6,0.392,0.53,1.0,0.2070197381947776,0.25848125556850116,0.16299431156192173,0.2431036255225824,0.21789973271194574
EOS-3-42682,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,MGUUZCZXTCAJLF-UHFFFAOYSA-N,3,1,0.636,91,650,445.885,5.267,5,0.356,0.75,1.0,0.9807072853128641,0.9702470701117127,0.9011376876156535,0.9204218353779727,0.9431284696045508
EOS-3-42683,Cn1ccnc1C(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,ZPDIKUCTEYXCOA-UHFFFAOYSA-N,3,1,0.299,82,974,467.493,1.956,6,0.387,0.56,1.0,0.26127407305873485,0.08546364197107806,0.09433897608114591,0.07430950585977658,0.12884654924268385
EOS-3-42684,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1csnn1,ULWYFOVLPQHKIV-UHFFFAOYSA-N,3,1,0.366,51,924,451.903,3.29,5,0.383,0.56,0.806,0.36938009732026594,0.4199592214378727,0.05728702624905764,0.08162565965321088,0.23206300116510178
EOS-3-42685,Clc1cccc(OCc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)n1,RYYVFVZDDJNJGO-UHFFFAOYSA-N,3,1,0.376,14,18,414.856,4.481,5,0.394,0.75,1.0,0.44846994722774314,0.5230278939072031,0.7119628538139949,0.7383318483996985,0.60544813583716
EOS-3-42686,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)nn1,FINYVMFULBAEAB-UHFFFAOYSA-N,3,1,0.471,87,529,410.441,2.968,5,0.421,0.75,1.0,0.5171167157837023,0.4014203961346035,0.1726920704543897,0.16108388732780482,0.3130782674251251
EOS-3-42687,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4cccnn4)n23)c1,WMPXKPMRWQZVHP-UHFFFAOYSA-N,3,1,0.522,26,448,416.42,3.183,5,0.419,0.63,1.0,0.36457405249811525,0.3630491398807484,0.4285604139538071,0.37935199780686724,0.38388390103488446
EOS-3-42688,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)s1,CEMRZTXRRVIFOO-UHFFFAOYSA-N,3,1,0.337,76,176,454.494,4.516,6,0.389,0.64,0.952,0.10308580631896375,0.21780549653896236,0.3662189020629155,0.44226749366047563,0.28234442464532933
EOS-3-42689,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc(-c2csnn2)c1,DTXQBLCSVZOLNH-UHFFFAOYSA-N,3,1,0.628,34,96,456.865,4.82,5,0.377,0.7,1.0,0.8224761839490097,0.9271811390583237,0.9237715029812898,0.9385751490644918,0.9030009937632788
EOS-3-42690,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5cncc(Cl)c5)ns4)n23)nc1,CBRRNKYDLZJJBR-UHFFFAOYSA-N,3,1,0.39,33,53,479.913,2.692,5,0.39,0.62,1.0,0.34395346446439584,0.3727725995476664,0.06124494551435817,0.060542457679391405,0.20962836680145297
EOS-3-42691,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccn4)n23)ccc1Cl,BMMSWJFHPKLCQV-UHFFFAOYSA-N,3,1,0.535,97,744,446.873,4.928,5,0.356,0.72,1.0,0.827753409636077,0.9121975875539716,0.8966057843876362,0.8880902611198684,0.8811617606743883
EOS-3-42692,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccc2F)nn1,XDGRXECZMVACTR-UHFFFAOYSA-N,3,1,0.495,72,639,461.888,4.366,5,0.347,0.65,1.0,0.8867709546981015,0.918014529504489,0.6260537317524502,0.6488074840655198,0.7699116750051401
EOS-3-42693,Cc1ncccc1-c1cncc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)c1,KXPBEZGZILGMTG-UHFFFAOYSA-N,3,1,0.505,2,419,461.888,4.366,5,0.347,0.67,1.0,0.8625522582413817,0.8586029059008978,0.6992752381605098,0.692130422863409,0.7781402062915496
EOS-3-42694,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)cnc1F,APYMMQUQUPEVPJ-UHFFFAOYSA-N,3,1,0.5,75,496,461.888,4.366,5,0.347,0.67,0.999,0.8443818107052292,0.8057021451579741,0.680419436639024,0.6717411417997395,0.7505611335754917
EOS-3-42695,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1-c1nc[nH]n1,TUNPWYPQYSJNEF-UHFFFAOYSA-N,3,1,0.533,47,164,454.828,3.525,5,0.391,0.56,1.0,0.9337348365430745,0.9080940305667877,0.7478754026454664,0.7666883695428689,0.8390981598245494
EOS-3-42696,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)nn5C)cn4)n23)cn1,JRUSNOKCSGHKFM-UHFFFAOYSA-N,3,1,0.519,4,205,412.457,3.178,5,0.437,0.73,1.0,0.30416866561579053,0.2232026591734631,0.2664656294976355,0.15296244260160372,0.23669984922212323
EOS-3-42697,c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccsc6)cn5)n34)cn2)no1,HKKIDLNIKBCPBD-UHFFFAOYSA-N,3,1,0.4,80,855,455.463,3.334,6,0.368,0.61,1.0,0.44368960318004247,0.3680779247481324,0.14440408470975258,0.1338839010348845,0.27251387841820296
EOS-3-42698,Clc1ncccc1-c1nccnc1-c1nnc2cncc(-c3nccnc3-c3ccccc3)n12,AVALEOXBFPAUIG-UHFFFAOYSA-N,3,1,0.32,64,365,463.892,4.421,6,0.353,0.65,0.99,0.1820043177301076,0.2382376122267151,0.25565417037900073,0.4106041395380714,0.27162505996847375
EOS-3-42699,COc1ccccc1-c1cc(Cc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)ncn1,RYTSQJWPJGCGFL-UHFFFAOYSA-N,3,1,0.388,14,358,463.328,5.155,5,0.359,0.76,1.0,0.5225481461174697,0.5940991021862793,0.8017527928174902,0.8365259406483448,0.6887314954423961
EOS-3-42700,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(F)n1,VBHXHRKAPLVUDP-UHFFFAOYSA-N,3,1,0.463,58,954,450.865,3.396,5,0.366,0.57,1.0,0.7438575149064491,0.6802823658419573,0.31808991844287576,0.3533171132890138,0.523886728120074
EOS-3-42702,Fc1cc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4F)n23)ccc1Cl,GPOXQNYQTPLSCD-UHFFFAOYSA-N,3,1,0.444,23,627,425.653,5.621,4,0.4,0.81,1.0,0.572493317798643,0.8494105955726132,0.9950911520800494,0.9996401891576999,0.8541588136522514
EOS-3-42703,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccc4F)c(F)n3)n12,CSCQOPXLVHFCCY-UHFFFAOYSA-N,3,1,0.457,18,161,449.396,3.682,5,0.365,0.57,1.0,0.8625608251661984,0.8093859228291412,0.7404564457542321,0.7462476869302995,0.7896627201699679
EOS-3-42704,FC(F)c1nccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4Cl)n23)n1,WMJPCCPISIHDAY-UHFFFAOYSA-N,3,1,0.511,27,71,465.851,4.813,5,0.355,0.73,1.0,0.7702265094921527,0.8758566924816668,0.8119817010485916,0.7949677883626893,0.8132581728462751
EOS-3-42705,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nccnn5)ns4)n23)cc1,GIJILTLFYJZRBE-UHFFFAOYSA-N,3,1,0.549,89,895,413.426,2.55,5,0.427,0.68,1.0,0.6679288602563224,0.6655729559317387,0.20246213419231032,0.24003666643821533,0.4440001542046467
EOS-3-42706,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)c2)nc1,FOKCFCYJHROSKC-UHFFFAOYSA-N,3,1,0.467,54,65,466.839,3.591,5,0.374,0.57,1.0,0.8041172640668905,0.8250119936947433,0.6381587965184018,0.7144558289356453,0.7454359708039202
EOS-3-42707,Cn1ncc(-c2cc(-c3cncc4nnc(-c5nccnc5-c5cnccn5)n34)cnn2)n1,HQWPSNREMYGFMH-UHFFFAOYSA-N,3,1,0.225,86,953,435.415,1.291,6,0.394,0.51,0.442,0.036537934343088205,0.00884106641080118,0.025366664382153382,0.028673497361387155,0.024854790624357484
EOS-3-42708,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccc(F)n5)n4)n23)c(F)c1,MUAADXULLCPMIJ-UHFFFAOYSA-N,3,1,0.278,39,527,473.382,2.703,6,0.355,0.58,0.312,0.045361866904256046,0.2079792337742444,0.2308443561099308,0.3980364608320197,0.22055547940511275
EOS-3-42709,O=c1cc(-c2ccc(C(F)F)nc2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)[nH]1,DYEXQJVIKHUMOH-UHFFFAOYSA-N,3,1,0.459,35,393,461.432,3.496,5,0.395,0.59,0.999,0.37394626824754984,0.19862415187444316,0.7909156329244055,0.7058974710437941,0.5173458810225481
EOS-3-42710,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nn2C)cn1,WBXOCBAWGMNDEX-UHFFFAOYSA-N,3,1,0.57,95,381,464.892,3.704,5,0.378,0.61,1.0,0.4920241929956823,0.41080117880885475,0.4749246110616133,0.48260057569734766,0.4650876396408745
EOS-3-42711,Cn1nccc1-c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4Cl)n23)c(F)c1,HFBSQSRBLNHSLB-UHFFFAOYSA-N,3,1,0.371,45,358,453.308,5.229,5,0.374,0.74,1.0,0.35308580631896375,0.4908676581454321,0.9370074018230417,0.9573110136385443,0.6845679699814955
EOS-3-42712,Cc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccc(C)o6)cn5)n34)n2)ccn1,OHKIPMQSOHZMAH-UHFFFAOYSA-N,3,1,0.273,32,368,445.486,5.187,6,0.369,0.74,1.0,0.1132633130011651,0.05247241450209033,0.5303697484750873,0.45818483996984444,0.2885725789870468
EOS-3-42713,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6ccnn6)cn5)n34)cn2)n1,BJAMNSCIDBLBDS-UHFFFAOYSA-N,3,1,0.424,80,843,463.465,2.506,6,0.362,0.56,1.0,0.2098125556850113,0.16030429716948805,0.16612123912000548,0.1207679391405661,0.16425150777876774
EOS-3-42714,Cc1nc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5cccnc5F)nc4)n23)c1F,FTLMSRDENPPLDK-UHFFFAOYSA-N,3,1,0.426,55,109,465.851,4.462,5,0.354,0.69,1.0,0.8601363854430814,0.8586114728257145,0.819169350969776,0.797169488040573,0.8337716743197862
EOS-3-42715,Cc1ccc(-c2nnc3cncc(-c4nncc(-c5c(F)c(F)cc(Cl)c5F)n4)n23)cc1,GNOFIFBWKKMCGB-UHFFFAOYSA-N,3,1,0.377,45,316,453.815,4.689,5,0.369,0.63,0.994,0.46714584332807896,0.6559865670618875,0.9114608320197382,0.9359879377698581,0.7426452950448907
EOS-3-42716,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)no2)nc1,HBNGWNKDDFGVTM-UHFFFAOYSA-N,3,1,0.435,46,267,440.25,4.122,5,0.376,0.62,1.0,0.43430025358097457,0.3680864916729491,0.49913474059351653,0.6167586183263656,0.47957002604345145
EOS-3-42717,COC1(c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)ccn2)CCOC1,MDBIBZPCWNQJDT-UHFFFAOYSA-N,3,1,0.404,63,457,422.42,2.561,5,0.468,0.53,1.0,0.689371873072442,0.43797546432732504,0.3253375368377767,0.3695685696662326,0.4555633609759441
EOS-3-42718,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)s1,FBAKPYRGQFZRLI-UHFFFAOYSA-N,3,1,0.495,65,142,468.905,3.822,5,0.37,0.63,1.0,0.6407460078130355,0.6900229593585087,0.362620793639915,0.41386813789322185,0.5268144746761703
EOS-3-42719,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cnnn5C)n4)n23)c(Cl)c1,QIJMBTIKSVHTDW-UHFFFAOYSA-N,3,1,0.325,76,865,468.912,3.703,6,0.388,0.57,1.0,0.12668768418888357,0.2282057432663971,0.3475173051881297,0.39502947022136936,0.27436005071619496
EOS-3-42720,CCc1cccc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,RHYQWJRPZXAOLQ-UHFFFAOYSA-N,3,1,0.517,4,32,449.927,4.5,5,0.377,0.64,1.0,0.6152165718593654,0.8525032554314304,0.14726543759851962,0.23133267082448083,0.46157948392844905
EOS-3-42721,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)cn2)n1,AMPUWDLFESAKEK-UHFFFAOYSA-N,3,1,0.477,55,283,436.888,3.641,5,0.411,0.57,1.0,0.5403759166609554,0.6315108628606675,0.202470701117127,0.22247447056404632,0.39920798780069905
EOS-3-42722,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)ccn1,SGCFZUAMCXKOJZ-UHFFFAOYSA-N,3,1,0.466,51,969,414.404,3.065,5,0.404,0.68,1.0,0.6264735110684668,0.5507161949146734,0.4470392707833596,0.3729525049688164,0.499295370433829
EOS-3-42723,COCc1nc(-c2cccnc2Cl)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)[nH]1,YGLURONMQWSUFA-UHFFFAOYSA-N,3,1,0.387,96,46,452.305,4.697,5,0.389,0.7,0.24,0.4160355698718388,0.5549739565485573,0.617521074635049,0.7409447604687821,0.5823688403810569
EOS-3-42724,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4sccc4F)n23)nc1F,DJQHSVUUXXTFSB-UHFFFAOYSA-N,3,1,0.413,36,223,426.412,2.901,5,0.399,0.57,1.0,0.4895140840243986,0.5458673154684395,0.2664741964224522,0.30270372147214036,0.40113982934685766
EOS-3-42725,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)nc2C)s1,KXJBYGAANBHZAG-UHFFFAOYSA-N,3,1,0.402,31,690,465.93,3.387,5,0.371,0.62,0.675,0.4321156877527243,0.527465560962237,0.03727468987732164,0.046672606401206226,0.2608821362483723
EOS-3-42726,Cc1ncncc1-c1ccnc(COc2cncc3nnc(-c4ccccc4F)n23)c1,SFBLVZCKZNVPLS-UHFFFAOYSA-N,3,1,0.511,4,71,413.416,3.67,5,0.434,0.71,1.0,0.5897471043794119,0.6511719553149201,0.6175296415598657,0.5675759029538757,0.6065061510520183
EOS-3-42727,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncnc(C6(C)CCC6)n5)n34)cc2)cs1,XOXUYKBPMJUEGJ-UHFFFAOYSA-N,3,1,0.304,52,849,440.536,4.517,6,0.405,0.67,1.0,0.14885888561441984,0.15662908642313755,0.004180659310533891,0.01809334521280241,0.08194049414022343
EOS-3-42728,N=c1cc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)nc[nH]1,PNXMMALGGSMCBP-UHFFFAOYSA-N,3,1,0.478,16,256,420.433,2.835,5,0.451,0.64,1.0,0.5897556713042287,0.49577650606538276,0.4611661298060448,0.4138767048180385,0.49014375299842367
EOS-3-42729,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cn1,HSYIYGGGJMUGRC-UHFFFAOYSA-N,3,1,0.481,12,285,445.486,5.046,6,0.369,0.71,1.0,0.580666164073744,0.3776129120690837,0.5833476115413612,0.5610736070180248,0.5256750736755534
EOS-3-42730,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)cnn4)n23)ccn1,ZJPJOSFPUDAHHS-UHFFFAOYSA-N,3,1,0.494,19,207,413.416,3.404,5,0.394,0.74,1.0,0.6862792132136248,0.617778082379549,0.537163319854705,0.5675844698786924,0.6022012713316428
EOS-3-42731,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)nc5)n4)n23)nc1,GJAAWNUBBVRGHE-UHFFFAOYSA-N,3,1,0.245,70,813,455.873,2.883,6,0.372,0.54,1.0,0.0075645946131176756,0.14496950174765266,0.19895826194229319,0.24578507299019944,0.14931935782331573
EOS-3-42732,Cc1cnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c2)nn1,JZQDMSIEESCWCJ-UHFFFAOYSA-N,3,1,0.392,31,851,464.852,2.551,5,0.345,0.58,1.0,0.6152251387841821,0.6265677472414503,0.08734836543074498,0.12741587279830033,0.3641392810636694
EOS-3-42733,COc1ccc(-c2nnc3cncc(OCCc4cncnc4F)n23)cc1-c1ncc(C)s1,BYOYTSOZOAJAOS-UHFFFAOYSA-N,3,1,0.516,15,361,463.498,3.782,5,0.336,0.66,0.999,0.6953087519703927,0.6221814817353163,0.32895277911041054,0.222483037488863,0.4672315125762456
EOS-3-42734,Cc1nc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)ccc1F,SWFRNUGMYGBSNI-UHFFFAOYSA-N,3,1,0.5,11,525,461.888,4.366,5,0.347,0.68,1.0,0.8555530806661641,0.8811424850935509,0.6443526831608526,0.6342437118771845,0.753822990199438
EOS-3-42735,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ncn2)c1,OGWPGPDZGTZRCH-UHFFFAOYSA-N,3,1,0.387,31,662,413.445,2.573,5,0.432,0.69,0.925,0.1679031594818724,0.07849016517031046,0.0965235419093962,0.056044822150640806,0.09974042217805497
EOS-3-42736,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nc(C)nn5C)c4)n23)cn1,OQFPNGKOLSNVEX-UHFFFAOYSA-N,3,1,0.549,92,986,413.445,2.573,5,0.432,0.69,1.0,0.317130422863409,0.14880748406551983,0.09653210883421287,0.059034678911657874,0.1553761736686999
EOS-3-42737,Cc1cncc(COc2cncc3nnc(-c4cc(-c5nc(C)c(F)[nH]5)ncn4)n23)c1F,AWIQITVSLLPKFQ-UHFFFAOYSA-N,3,1,0.389,7,599,435.398,2.84,5,0.448,0.56,0.023,0.5780189843053938,0.41549585360838875,0.39241655815228565,0.3309831402919608,0.42922863408950723
EOS-3-42738,Cc1ncccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)nc1,XHDZKPSBIUCPBL-UHFFFAOYSA-N,3,1,0.327,64,449,460.476,4.82,6,0.372,0.65,0.998,0.2585669248166678,0.29971386471112327,0.547297991912823,0.5864488383249948,0.4230069049414022
EOS-3-42739,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4cnc(C(C)(F)F)cn4)n23)nc1,BWVGNKAAHGSVHF-UHFFFAOYSA-N,3,1,0.402,7,828,449.425,3.161,5,0.389,0.55,1.0,0.27992426838462064,0.24862929202933315,0.5896357343567953,0.35018161880611337,0.3670927283942156
EOS-3-42740,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cn1,DOQHJKHKJWLQEJ-UHFFFAOYSA-N,3,1,0.529,63,555,405.393,2.192,5,0.49,0.92,1.0,0.4599924611061613,0.26896717154410255,0.13227331916935098,0.16349976012610512,0.25618317798643
EOS-3-42741,Cn1nccc1-c1ccc(Cl)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,ZETNMNGWALJRHO-UHFFFAOYSA-N,3,1,0.632,43,372,451.317,5.078,5,0.373,0.7,1.0,0.7957730792954562,0.8865310808032348,0.8978908231101363,0.915101775066822,0.8738241895689123
EOS-3-42742,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ncccn5)ncn4)n23)c1,CVJXASLICUITSV-UHFFFAOYSA-N,3,1,0.406,18,842,449.837,2.847,5,0.36,0.53,0.976,0.7759920498937701,0.6608268795833048,0.29238057706805565,0.35332568021383043,0.5206312966897403
EOS-3-42743,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)ccn2)cn1,GRKPEFDJVUCHGS-UHFFFAOYSA-N,3,1,0.456,75,99,448.849,3.718,5,0.375,0.58,1.0,0.7929031594818724,0.742058460694949,0.6234236858337331,0.5926255911178123,0.6877527242820918
EOS-3-42744,Cc1cc(-c2nnns2)ccc1-c1cncc2nnc(-c3ccc(-c4ccnnc4)c(F)c3)n12,GJUOBZFLWJWRLW-UHFFFAOYSA-N,3,1,0.307,3,340,467.493,4.276,6,0.378,0.63,1.0,0.2507710232335001,0.3098913713933247,0.5960694948941128,0.6199026797340826,0.444158642313755
EOS-3-42745,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)nn2)s1,ZXPLEZGCDIPDTF-UHFFFAOYSA-N,3,1,0.439,53,411,421.511,3.696,5,0.413,0.64,0.836,0.5278425056541703,0.3630577068055651,0.0572955931738743,0.060551024604208074,0.25218670755945444
EOS-3-42746,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ccnc(-c5ccc(F)cc5)n4)n23)s1,PLGLNDZURDCXKV-UHFFFAOYSA-N,3,1,0.329,64,449,467.493,4.276,6,0.378,0.64,0.88,0.23728668357206498,0.36809505859776576,0.1955486258652594,0.2638869851278185,0.26620433829072715
EOS-3-42747,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cscn5)s4)n23)nc1,IQDSLMLYHUFQJZ-UHFFFAOYSA-N,3,1,0.284,76,368,458.507,4.634,6,0.38,0.64,0.979,0.21504694674799535,0.32926975532862723,0.33626893290384485,0.41061270646288806,0.32279958536083886
EOS-3-42748,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc(-c2cnc(F)cn2)c1,LRHPMGSEROIATG-UHFFFAOYSA-N,3,1,0.467,27,430,467.386,4.438,5,0.341,0.69,1.0,0.8734836543074498,0.9081025974916044,0.9439209101500925,0.9118377767116715,0.9093362346652046
EOS-3-42749,Cc1cnc(CN(C)c2cncc3nnc(-c4cccnc4-c4cccnc4)n23)cn1,AHOBKRZHKJXLDL-UHFFFAOYSA-N,3,1,0.348,7,85,409.457,2.983,5,0.437,0.78,0.988,0.03956205880337194,0.02428723185525324,0.08008361318621068,0.053226303885957095,0.04928980193269824
EOS-3-42750,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)ccnc1Cl,PFHHAISGBSUYEG-UHFFFAOYSA-N,3,1,0.452,18,773,448.849,3.452,5,0.364,0.56,1.0,0.767639298197519,0.8172417928860256,0.6381673634432184,0.6488160509903365,0.7179661263792748
EOS-3-42751,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ncco6)cn5)n34)nc2)s1,ISKSNDYYUOWQRR-UHFFFAOYSA-N,3,1,0.265,70,368,438.476,4.335,6,0.4,0.57,0.999,0.1401977246247687,0.1488160509903365,0.2131450894386951,0.2110376259337948,0.17829912274689877
EOS-3-42752,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)nc1F,BLLJDYKPEGRUSF-UHFFFAOYSA-N,3,1,0.386,46,223,448.437,3.63,5,0.366,0.6,0.967,0.4207388115961894,0.3869765608937016,0.45767939140566105,0.37296107189363303,0.4095889589472963
EOS-3-42753,NC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OCCc4cc(Cl)ccn4)n23)s1,KHFARCQZPFCZJT-UHFFFAOYSA-N,3,1,0.362,82,304,477.937,3.684,5,0.379,0.71,0.912,0.3119902679734083,0.20798780069906106,0.18223562470015764,0.19365533548077582,0.2239672572133507
EOS-3-42754,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c(F)c2)cnn1,HRDWNRDGPCBSED-UHFFFAOYSA-N,3,1,0.573,13,15,450.836,5.281,5,0.37,0.73,1.0,0.8536683572064971,0.919873552189706,0.9458142005345761,0.9515454732369268,0.9177253957919265
EOS-3-42755,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6F)n5)n34)c(F)n2)c1,ZYSNVRVNUSFCKW-UHFFFAOYSA-N,3,1,0.287,10,871,468.431,3.478,6,0.362,0.57,0.071,0.036546501267904874,0.22321122609827976,0.34361935439654584,0.4169779316016723,0.2550887533411007
EOS-3-42756,Clc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,AOWLZGWOGMGSRZ-UHFFFAOYSA-N,3,1,0.478,75,583,465.304,3.967,5,0.371,0.61,0.999,0.7497943938043999,0.7142073881159618,0.2996281954629566,0.4233774244397231,0.5467518504557605
EOS-3-42758,Cc1nc(-c2cnnn2C)c(COCc2cncc3nnc(-c4ccc(Cl)cc4)n23)s1,ZQKHFHGMPDFXJZ-UHFFFAOYSA-N,3,1,0.511,85,351,452.931,3.722,5,0.387,0.6,0.999,0.2799328353094373,0.47758035775478036,0.09434754300596258,0.1742598176958399,0.256530138441505
EOS-3-42759,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cnccn5)c4F)n23)cn1,DHVRBNYMKSPBQN-UHFFFAOYSA-N,3,1,0.472,55,540,415.392,2.46,5,0.427,0.63,1.0,0.7818004249194709,0.7142159550407786,0.28164622027277086,0.24874066205194983,0.5066008155712426
EOS-3-42760,c1ncc(-c2cc(-c3cncc4nnc(-c5cnc(-c6cnco6)nc5)n34)ncn2)cn1,RFINWRIVFUERGC-UHFFFAOYSA-N,3,1,0.286,94,874,421.384,2.15,6,0.412,0.54,1.0,0.12110204920841615,0.06785861147282571,0.12373209512713317,0.1253769446919334,0.1095174251250771
EOS-3-42761,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c(Cl)c1,BZKYZQIPSPICIZ-UHFFFAOYSA-N,3,1,0.692,88,876,465.344,5.12,5,0.348,0.76,1.0,0.8398841751764786,0.8287985744637105,0.7997566993352067,0.8462836680145295,0.8286807792474813
EOS-3-42762,Cc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccnc(F)c4)n23)cn1,SCUDIUWTNHVJQF-UHFFFAOYSA-N,3,1,0.456,7,390,414.404,3.065,5,0.404,0.69,1.0,0.6466400520869029,0.6705075046261394,0.369971215132616,0.32144815297100954,0.5021417312041669
EOS-3-42763,Fc1ccnc(F)c1COc1cncc2nnc(-c3cccc(-c4csnn4)c3)n12,SBCBZURJIWHVNF-UHFFFAOYSA-N,3,1,0.477,72,55,423.408,3.562,5,0.399,0.61,1.0,0.5482146528682065,0.5182389829346857,0.6692995682269892,0.6688112535124392,0.6011411143855802
EOS-3-42764,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)c(C)n1,IANDKGRIVXAMGS-UHFFFAOYSA-N,3,1,0.471,15,677,412.457,3.178,5,0.437,0.69,1.0,0.38773045027756836,0.1643393187581386,0.1693852374751559,0.10684668631348092,0.20707542320608593
EOS-3-42765,COc1ccc(COc2cncc3nnc(-c4cnc(-c5ccccn5)cn4)n23)nc1,QCSVQLGVSRFFKR-UHFFFAOYSA-N,3,1,0.494,7,181,412.413,2.626,5,0.415,0.72,1.0,0.3831214447262011,0.23824617915153176,0.20966691796312795,0.13595709684051813,0.24174790967034473
EOS-3-42766,Cc1cc(-c2nnc3cncc(OCc4csc(-c5cccnc5)n4)n23)ccc1Cl,QEJZUCHOURMRBY-UHFFFAOYSA-N,3,1,0.553,4,436,434.912,4.851,5,0.393,0.73,1.0,0.6040367349736139,0.7764546638338702,0.5603368514837914,0.5835189500376945,0.6310868000822425
EOS-3-42767,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ncc(F)cn5)nc4)n23)nc1,UIRGRFLCLXUBQB-UHFFFAOYSA-N,3,1,0.367,85,580,412.432,3.271,5,0.437,0.67,0.973,0.3554160098690974,0.3149801247344253,0.22342539921869645,0.23417688986361457,0.28199960592145845
EOS-3-42768,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)cn1,ZHKAGJMKLLLKGV-UHFFFAOYSA-N,3,1,0.415,27,879,480.41,3.645,5,0.359,0.72,1.0,0.8668271537248989,0.7721712014255363,0.7250017133849633,0.4518881502295936,0.703972054691248
EOS-3-42769,Cc1nccc(CCOc2cncc3nnc(-c4cnnc(-c5cc(F)cnc5F)c4)n23)c1F,WDHFRVQKSAUECA-UHFFFAOYSA-N,3,1,0.459,37,778,464.411,3.386,5,0.352,0.62,1.0,0.8277619765608937,0.7680762113631691,0.6913508327050922,0.6543588513467206,0.7353869679939689
EOS-3-42770,Cc1c(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc(F)c1-c1ccncn1,AILLXLJOVDXUSW-UHFFFAOYSA-N,3,1,0.451,73,564,465.851,4.462,5,0.378,0.63,1.0,0.9005722705777535,0.8391474196422453,0.8720358440134329,0.8680008224247824,0.8699390891645535
EOS-3-42771,Fc1cccc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)nn5)n34)cc2F)c1,KKXRQVOJLXTZPX-UHFFFAOYSA-N,3,1,0.403,14,476,469.377,4.531,5,0.36,0.68,1.0,0.4532160235761771,0.6364711123295183,0.9458227674593928,0.932535467068741,0.7420113426084572
EOS-3-42772,CCc1nccc(COc2cncc3nnc(-c4ccc(-c5cncc(C)n5)c(CC)n4)n23)n1,XSOKSGOCRXMDDW-UHFFFAOYSA-N,3,1,0.365,7,690,453.51,3.446,5,0.365,0.58,0.265,0.279941402234254,0.1852768830100747,0.036075320402988144,0.01810191213761908,0.12984887944623397
EOS-3-42773,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)nc2C)n1,XNEWMTJRWNPLGU-UHFFFAOYSA-N,3,1,0.381,46,717,463.864,3.422,5,0.361,0.58,1.0,0.7289339318758139,0.6460403673497361,0.3180984853676924,0.33099170721677745,0.506016122952505
EOS-3-42774,Cn1ncnc1-c1nnc(-c2cncc3nnc(-c4nncnc4-c4cc(F)ccn4)n23)s1,GXEFOJWNHXNYDC-UHFFFAOYSA-N,3,1,0.257,99,356,459.434,1.491,6,0.377,0.57,0.875,0.048308889041189775,0.13390960180933453,0.005251524912617367,0.009886231238434651,0.049339061750394084
EOS-3-42776,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)c2)cn1,MSNNHAVURAWXQP-UHFFFAOYSA-N,3,1,0.472,2,858,436.888,3.641,5,0.411,0.6,1.0,0.48706394352683163,0.554982523473374,0.25566273730381744,0.2669796449866356,0.39117221232266464
EOS-3-42777,Cc1cccc(-c2nn(C)cc2-c2nnc3cncc(-c4cnn(-c5ncccn5)n4)n23)n1,SZHNUOZHZPZMRW-UHFFFAOYSA-N,3,1,0.234,99,312,436.443,1.933,6,0.407,0.48,0.985,0.0008823932561167843,0.0028527859639503805,0.015463299294085395,0.012113631690768283,0.00782802755123021
EOS-3-42778,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccccc5F)n34)c2)cn1,VSWAOPGVIBEFFT-UHFFFAOYSA-N,3,1,0.419,46,181,413.416,3.67,5,0.434,0.68,1.0,0.6495356726749366,0.5507247618394902,0.5928311973134124,0.5512644781029402,0.5860890274826949
EOS-3-42779,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)nc1,QBAAOSWPHPFQAL-UHFFFAOYSA-N,3,1,0.461,65,65,415.392,2.194,5,0.411,0.62,1.0,0.7197587553971626,0.5601912137619081,0.1822441916249743,0.19895826194229319,0.41528810568158453
EOS-3-42780,CCOc1cc(C(F)(F)F)ccc1-c1nnc2cncc(-c3cccc(-c4nncn4C)n3)n12,YJEJMUZBMBFWLP-UHFFFAOYSA-N,3,1,0.374,22,259,466.427,4.066,5,0.385,0.62,0.988,0.3195462956617093,0.40598656706188746,0.8402011513946953,0.7005003084092934,0.5665585806318963
EOS-3-42781,CCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cc(C)n2)ncn1,NQKNVZHZQLMEQI-UHFFFAOYSA-N,3,1,0.536,75,393,438.495,3.531,5,0.38,0.57,1.0,0.4722174628195463,0.20799636762387774,0.22343396614351313,0.14555205263518609,0.2622999623055308
EOS-3-42782,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4nc(Cl)ccc4OC)n23)ccn1,XREZXAUAGNSWPK-UHFFFAOYSA-N,3,1,0.416,75,624,462.901,3.706,5,0.337,0.67,1.0,0.38085120964978414,0.40142896305942016,0.30688438078267427,0.22851415255979712,0.3294196765129189
EOS-3-42783,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)cc1-c1ccccn1,WPRHNNYSXPWSIU-UHFFFAOYSA-N,3,1,0.457,95,493,450.865,3.396,5,0.366,0.59,0.999,0.4796878212596806,0.42446542389143993,0.3962631073949695,0.4422760605852923,0.43567310328284553
EOS-3-42784,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)ncn2)nn1,PKXSNXYTPGYTJL-UHFFFAOYSA-N,3,1,0.506,4,633,418.367,2.896,5,0.429,0.57,1.0,0.6407545747378521,0.7000376944691933,0.5170224796107189,0.5380285792611884,0.5989608320197383
EOS-3-42785,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ncn4)n23)c1,WHMWAHRWESHWKJ-UHFFFAOYSA-N,3,1,0.402,18,481,462.876,3.761,5,0.351,0.6,0.985,0.6982300733328765,0.6460489342745528,0.4820351586594476,0.5079843739291344,0.5835746350490028
EOS-3-42786,Fc1ccc(-c2nscc2COc2cncc3nnc(-c4ccc(F)cc4F)n23)cc1,CJLGZOGDOXCOGJ-UHFFFAOYSA-N,3,1,0.557,57,146,439.422,4.911,5,0.389,0.71,1.0,0.8420344733054622,0.9036049619628538,0.9055582208210541,0.9256390925913234,0.8942091871701734
EOS-3-42787,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ncc(Cl)cn5)cnn4)n23)c1F,LMJSGKHIVOIAND-UHFFFAOYSA-N,3,1,0.424,65,65,467.827,2.986,5,0.371,0.55,1.0,0.7730021931327531,0.7326605441710644,0.48905147008429856,0.5610821739428414,0.6389490953327394
EOS-3-42788,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)nc1,GFMLRGYQOIUELA-UHFFFAOYSA-N,3,1,0.392,73,65,467.827,2.986,5,0.371,0.55,1.0,0.6920875882393256,0.6900315262833253,0.3924251250771023,0.48870879309163184,0.5658132581728462
EOS-3-42789,Cc1nc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)nn2C)n(C)n1,FFJPDRVALLHJSZ-UHFFFAOYSA-N,3,1,0.341,31,105,422.84,2.469,5,0.434,0.57,1.0,0.22626961825783018,0.27912754437667053,0.01860736070180248,0.02322493317798643,0.13680736412857242
EOS-3-42790,Clc1ccc(-c2cc(-c3nnc4cncc(Oc5cccnc5Cl)n34)ccn2)cc1,PLDWFKMIUAEXSP-UHFFFAOYSA-N,3,1,0.506,13,284,435.274,5.347,5,0.355,0.79,1.0,0.7899818381193887,0.8288071413885272,0.8679065862517991,0.907160235761771,0.8484639503803715
EOS-3-42791,Cc1ncc(-c2cc(COc3cncc4nnc(-c5cnc(-n6cccn6)nc5)n34)ncn2)o1,JPDVYKLDQOJHDK-UHFFFAOYSA-N,3,1,0.408,80,85,453.426,2.099,6,0.365,0.57,1.0,0.12398053594681653,0.09786854910561305,0.055573641285724076,0.030438283873620724,0.07696525255294359
EOS-3-42792,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nc(C)n1,DBQBIXGQAJNIKS-UHFFFAOYSA-N,3,1,0.392,31,330,461.917,3.443,5,0.339,0.64,1.0,0.39209101500925225,0.2844390377630046,0.1630028784867384,0.15839387293537113,0.24948170104859158
EOS-3-42793,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)c(F)c1,LQEWNGGBQZIUGT-UHFFFAOYSA-N,3,1,0.346,25,228,483.898,4.503,6,0.364,0.82,1.0,0.23447673223219792,0.4289202247961072,0.5571585223768076,0.7169145363580289,0.4843675039407854
EOS-3-42794,CCn1cc(CCOc2cncc3nnc(-c4csc(-c5cccnc5)c4)n23)c(C)n1,RDRLBRHNMWIIJI-UHFFFAOYSA-N,3,1,0.456,65,986,431.525,4.061,5,0.386,0.64,1.0,0.12111061613323282,0.09787711603042971,0.11226098279761497,0.09852820231649648,0.1074442293194435
EOS-3-42795,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cn(C)nc5C)n34)ccn2)cn1,RIUIOUGAXKKZCC-UHFFFAOYSA-N,3,1,0.455,92,441,413.445,2.573,5,0.432,0.67,1.0,0.1571002672880543,0.1305085326571174,0.14148276334726886,0.07035158659447605,0.12486078747172916
EOS-3-42796,Cn1nc(-c2nnc3cncc(OCCC(F)c4cccc(F)c4)n23)cc1-c1cccnn1,PDIONSCFVOAVSF-UHFFFAOYSA-N,3,1,0.393,95,54,448.437,3.601,5,0.375,0.59,0.997,0.48952265094921527,0.4155044205332054,0.5739925296415599,0.592634158042629,0.5179134397916524
EOS-3-42797,Clc1ncc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)cn1,HUBGERCRNYOFQQ-UHFFFAOYSA-N,3,1,0.467,7,434,418.808,2.061,5,0.391,0.59,1.0,0.4622626961825783,0.5690836817216092,0.16301144541155507,0.18270680556507435,0.34426615722020426
EOS-3-42798,Cc1cc(F)ccc1-c1nnc2cncc(OCc3cc(-c4cccnn4)ncn3)n12,NTOGYBZUVGYFJQ-UHFFFAOYSA-N,3,1,0.457,4,633,414.404,3.065,5,0.432,0.65,1.0,0.5806747309985607,0.685114111438558,0.4360222054691248,0.40736584195737097,0.5272942224659036
EOS-3-42799,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nn[nH]n5)nc4)n23)o1,PIDPJJUOKMUKAC-UHFFFAOYSA-N,3,1,0.273,99,601,411.389,2.027,6,0.461,0.71,0.861,0.07514906449181002,0.08547220889589473,0.06942635871427592,0.06867246933040916,0.07468002535809747
EOS-3-42800,Fc1cc(COc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)cnc1Cl,MMPQTUZSFHVQGO-UHFFFAOYSA-N,3,1,0.451,2,422,451.824,4.154,5,0.371,0.61,1.0,0.8374854362278117,0.7971866218902063,0.8576262764717977,0.8664245082585155,0.8396807107120828
EOS-3-42801,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccnn5)c4)n23)c(F)c1,UVGQWRCEDCQWFG-UHFFFAOYSA-N,3,1,0.494,72,226,414.404,3.065,5,0.432,0.64,1.0,0.8197776026317593,0.82502056061956,0.4820437255842643,0.46119183058049484,0.6470084298540196
EOS-3-42802,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cnc1OC,HGARFAAMPKUVNP-UHFFFAOYSA-N,3,1,0.402,26,779,477.916,3.143,5,0.332,0.71,0.991,0.3269566856281269,0.30989993831814133,0.13228188609416763,0.10052429579878007,0.21741570145980402
EOS-3-42803,COc1ncc(-c2nnc3cncc(OCCc4cc(F)cc(F)n4)n23)cc1-c1cnco1,PQPCWLCAMMOGEK-UHFFFAOYSA-N,3,1,0.453,87,657,451.393,3.145,5,0.344,0.6,1.0,0.7074823521348776,0.531903228017271,0.48553903090946476,0.38555445137413474,0.527619765608937
EOS-3-42804,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)cs4)n23)c(F)c1,HZKOTPKVPRAREX-UHFFFAOYSA-N,3,1,0.506,73,10,440.41,4.306,5,0.405,0.6,1.0,0.8555616475909807,0.9036135288876704,0.8576348433966143,0.8565211431704476,0.8683327907614282
EOS-3-42805,COc1ncc(CCc2cncc3nnc(-c4ccc(-c5nncs5)cn4)n23)cn1,QQASWVAONRMELT-UHFFFAOYSA-N,3,1,0.319,85,580,417.458,2.289,5,0.41,0.65,0.69,0.22335686382016312,0.12727023507641697,0.02752552943595367,0.01755362894935234,0.09892656432047152
EOS-3-42806,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnn(C)c6)c5)n34)cn2)cn1,UEWDBKBOUKSPOQ-UHFFFAOYSA-N,3,1,0.306,42,714,445.49,4.019,6,0.404,0.53,1.0,0.06184463025152491,0.06015694606264135,0.4435268316085258,0.3855630182989514,0.23777285655541086
EOS-3-42807,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)ccn2)ncn1,MKZASUVVLUQMAU-UHFFFAOYSA-N,3,1,0.59,13,573,417.379,4.022,5,0.436,0.64,1.0,0.862569392091015,0.6751250771023234,0.7909241998492221,0.7538208484682338,0.7706098793776985
EOS-3-42808,Fc1cnc(F)c(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)c1,UFFGFAFTSPODPF-UHFFFAOYSA-N,3,1,0.483,97,666,416.391,4.106,5,0.402,0.7,1.0,0.8555702145157974,0.7278373654992804,0.8354208073469948,0.8186896031800425,0.8093794976355287
EOS-3-42809,Cc1noc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)n1,XBXVCPPYCGGLLG-UHFFFAOYSA-N,3,1,0.426,7,354,421.808,2.567,5,0.39,0.62,1.0,0.44141936810362553,0.603154341717497,0.11823212939483244,0.1338924679597012,0.32417457679391404
EOS-3-42810,Clc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)ccn2)c1,PLQQIXXINJSNHP-UHFFFAOYSA-N,3,1,0.275,42,723,463.892,4.421,6,0.378,0.6,1.0,0.26395552052635185,0.29482215064080597,0.5133472688643684,0.5740096634911932,0.41153365088067984
EOS-3-42811,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ccncc1,JBGNQNRHWSLLMJ-UHFFFAOYSA-N,3,1,0.519,97,103,416.466,3.897,5,0.415,0.7,1.0,0.4509029538756768,0.32484922212322664,0.49914330751833325,0.395038037146186,0.41748338016585573
EOS-3-42812,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(Cl)c4)n23)cnc1Cl,GUYBHVPOGSMQRY-UHFFFAOYSA-N,3,1,0.5,59,89,468.279,4.668,5,0.346,0.71,1.0,0.9559745733671441,0.8989188540881365,0.9011462545404701,0.9139024055924885,0.9174855218970599
EOS-3-42813,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(CF)n5)n34)cnn2)cn1,MZBSUIGBLRVBBS-UHFFFAOYSA-N,3,1,0.429,7,828,430.407,2.185,5,0.395,0.52,1.0,0.4278493591940237,0.3585515043519978,0.08009218011102734,0.060559591529024744,0.23176315879651843
EOS-3-42814,Cc1cnc(-c2nnc(Cc3cncc4nnc(-c5c(F)ccc(Cl)c5F)n34)s2)cn1,FIKPZAMVXCHKBW-UHFFFAOYSA-N,3,1,0.297,85,674,456.869,3.931,5,0.378,0.6,1.0,0.23729525049688163,0.4059951339867041,0.3289613460352272,0.4887173600164485,0.36524227263381537
EOS-3-42815,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)c1F,FTKVTAJAIUVXPO-UHFFFAOYSA-N,3,1,0.421,18,88,466.839,3.591,5,0.35,0.59,1.0,0.7676478651223357,0.7049636762387773,0.6472997052977864,0.6891576999520252,0.7022672366527312
EOS-3-42816,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccn1,SORXHCZEVSHBEB-UHFFFAOYSA-N,3,1,0.483,55,564,420.383,2.839,5,0.431,0.54,1.0,0.6556010554451374,0.44673086148995955,0.5800150777876774,0.5246984442464533,0.5517613597423069
EOS-3-42817,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)ccn1,KXUNJMLWVHNTJN-UHFFFAOYSA-N,3,1,0.469,65,778,428.431,3.129,5,0.389,0.53,1.0,0.5430316633541225,0.4555033925022274,0.3888698512781852,0.35019018573093,0.4343987732163663
EOS-3-42818,Cn1ccnc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cs1,BFDPUOOCDSDQPN-UHFFFAOYSA-N,3,1,0.482,13,110,426.864,4.838,5,0.411,0.7,1.0,0.514520937564252,0.5458758823932561,0.7018196148310603,0.7409533273935988,0.6257924405455417
EOS-3-42819,Cc1nc(-c2ccnn2C)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,IZTBBRZDOSEBMK-UHFFFAOYSA-N,3,1,0.476,31,330,413.445,2.307,5,0.417,0.69,1.0,0.31713898978822563,0.06786717839764238,0.08994414365019533,0.06193886642450826,0.1342222945651429
EOS-3-42820,c1cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cc(-c2cscn2)c1,OGHHNHYARLQNRB-UHFFFAOYSA-N,3,1,0.524,77,323,453.487,4.544,6,0.362,0.69,1.0,0.5837159893084778,0.4729542183537797,0.5270200808717703,0.467531354944829,0.5128054108697142
EOS-3-42821,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)nn4F)n23)c1,HKERAYFHBGKOAY-UHFFFAOYSA-N,3,1,0.471,36,506,424.827,3.353,5,0.43,0.55,1.0,0.36697279144678224,0.4957850729901994,0.4855475978342814,0.4795164827633473,0.4569554862586526
EOS-3-42822,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)ccn1,LRKMGCHSWVKKCL-UHFFFAOYSA-N,3,1,0.494,24,912,415.844,3.876,5,0.402,0.69,1.0,0.7134620656569118,0.6655815228565554,0.6056130491398808,0.6108131725035981,0.6488674525392365
EOS-3-42823,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)c1F,RBZVAIQMDRTLPY-UHFFFAOYSA-N,3,1,0.389,46,395,414.404,3.065,5,0.432,0.66,1.0,0.5955469124802961,0.4643187581385786,0.48205229250908094,0.4073744088821877,0.48732309300253585
EOS-3-42824,Fc1cc(F)cc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cocn6)c(F)c5)n34)n2)c1,PIWWSAGODUACQF-UHFFFAOYSA-N,3,1,0.329,3,783,460.379,4.111,6,0.39,0.56,1.0,0.20982112260982796,0.3534970187101638,0.7928688917826057,0.8365345075731615,0.5481803851689397
EOS-3-42825,Cc1cnc(-c2cc(Cl)cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)cn1,FMVXRAUKKICFRE-UHFFFAOYSA-N,3,1,0.523,16,55,464.316,4.838,5,0.344,0.71,1.0,0.6620176821328216,0.680290932766774,0.7755208690288534,0.7879172092385717,0.7264366732917552
EOS-3-42826,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(C)nc(C)c5F)n34)ccc2F)on1,QSMQVGJUTBYPCD-UHFFFAOYSA-N,3,1,0.518,4,253,448.433,4.624,5,0.387,0.67,1.0,0.8041258309917072,0.70004626139401,0.7525957782194503,0.6372421355630183,0.7235025015420464
EOS-3-42827,c1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncon6)cn5)n34)s2)c1,VNHJSOIOTOCZSK-UHFFFAOYSA-N,3,1,0.408,6,843,456.451,2.729,6,0.365,0.59,1.0,0.30664450688780753,0.3292783222534439,0.053628949352340485,0.05188986361455692,0.18536041052703722
EOS-3-42828,COc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)nc1,MHTPDEOYKRYIJQ-UHFFFAOYSA-N,3,1,0.523,35,657,475.896,4.052,5,0.307,0.78,1.0,0.7616338839010349,0.7971951888150229,0.5506305256665067,0.4011376876156535,0.6276493214995545
EOS-3-42829,Oc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)cn2)nn1,UACZEFOWONBXBT-UHFFFAOYSA-N,3,1,0.255,70,887,435.411,1.992,6,0.436,0.53,0.002,0.034995887876088,0.0854807758207114,0.14149133027208552,0.13833870193955178,0.10007667397710918
EOS-3-42830,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccsc4)n23)cc1Cl,NKVWRUJGRYNZLN-UHFFFAOYSA-N,3,1,0.5,16,256,436.928,4.969,5,0.376,0.71,1.0,0.6833664587759578,0.6081488588856144,0.5540572955931738,0.5512730450277569,0.5992114145706257
EOS-3-42831,Cc1cnc(Cl)c(COc2cncc3nnc(-c4cccc(-c5ccnc(F)c5)c4)n23)c1,MLPJRHPTTZXVBN-UHFFFAOYSA-N,3,1,0.461,97,91,446.873,4.928,5,0.356,0.71,1.0,0.8646939894455486,0.7933143718730724,0.8720444109382496,0.8648910287163319,0.8487359502433006
EOS-3-42832,Fc1ncncc1-c1cncc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)c1,MQOVJBNODGCQRP-UHFFFAOYSA-N,3,1,0.489,2,419,453.89,4.119,5,0.357,0.66,1.0,0.7165889932149956,0.7420670276197656,0.6640052086902886,0.6865019532588582,0.702290795695977
EOS-3-42833,Fc1cc(-c2cncs2)ccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,KELCDKYIDLAQKV-UHFFFAOYSA-N,3,1,0.671,57,326,437.887,5.286,5,0.374,0.78,1.0,0.9693561099307793,0.9721917620450963,0.9189140566102392,0.9317730107600576,0.948058734836543
EOS-3-42835,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)n3)n12,CRMGXWMCQQGTDP-UHFFFAOYSA-N,3,1,0.453,7,456,461.873,2.983,5,0.348,0.62,0.999,0.5327342197244876,0.5182475498595024,0.15051230210403674,0.09645500651086286,0.3244872695497224
EOS-3-42836,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)nc2C)n1,MCZYABFPCUOWME-UHFFFAOYSA-N,3,1,0.429,31,690,457.473,3.119,5,0.379,0.56,1.0,0.6525340963607703,0.5690922486464258,0.1472740045233363,0.10685525323829759,0.3689389006922075
EOS-3-42837,CC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(C(F)F)c1,YNPNSXMXNXRQEB-UHFFFAOYSA-N,3,1,0.455,68,127,430.802,3.954,4,0.427,0.55,1.0,0.667937427181139,0.690040093208142,0.830332054005894,0.719724487697896,0.7270085155232678
EOS-3-42838,C#Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cnc(C(F)(F)F)nn5)ccn4)n23)cn1,GLSJSGCRHOBEIW-UHFFFAOYSA-N,3,1,0.457,51,48,476.382,2.407,5,0.349,0.63,1.0,0.49203275992049894,0.5365893358919882,0.5636608183126585,0.3664587759577822,0.489685422520732
EOS-3-42839,Cc1ccnc(-c2ncncc2-c2nnc3cncc(OCCc4ccncc4)n23)n1,CKVMUHHXIIDMFM-UHFFFAOYSA-N,3,1,0.512,65,359,411.429,2.363,5,0.415,0.72,1.0,0.48209512713316427,0.2948307175656226,0.08995271057501199,0.07809608662874375,0.23624366047563566
EOS-3-42840,Clc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccccc4)n23)cc1,ABRPIHSAQXFIFP-UHFFFAOYSA-N,3,1,0.57,1,700,414.856,4.481,5,0.422,0.75,1.0,0.9101329586731547,0.9534301966965938,0.5993334932492632,0.6891662668768419,0.7880157288739633
EOS-3-42841,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(C)nc5Cl)n34)c2)nc1,IUDKOTXSTQYERV-UHFFFAOYSA-N,3,1,0.432,18,181,457.925,4.535,5,0.346,0.66,1.0,0.5725018847234596,0.5458844493180728,0.4784199163868138,0.44552292509080943,0.5105822938797888
EOS-3-42842,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5sncc5F)n34)ccn2)nc1,ZXGOMWVFEFCGAL-UHFFFAOYSA-N,3,1,0.512,24,199,419.445,3.731,5,0.429,0.66,1.0,0.6620262490576383,0.5601997806867247,0.34752587211294633,0.32770200808717703,0.4743634774861216
EOS-3-42843,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCc3cnc(Cl)cn3)n12,LEHBCJAOEHBBDJ-UHFFFAOYSA-N,3,1,0.494,73,815,439.863,4.076,5,0.407,0.61,1.0,0.6953173188952094,0.8288157083133438,0.6349376327873346,0.6659327667740388,0.7062508566924817
EOS-3-42844,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2Cl)o1,ACQZLSHJQDOPCB-UHFFFAOYSA-N,3,1,0.528,72,639,468.304,4.473,5,0.336,0.74,1.0,0.7730107600575697,0.7972037557398396,0.44353539853334245,0.5214173120416695,0.6337918065931053
EOS-3-42845,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)c(C)n1,CNVYFNQSSKOJKI-UHFFFAOYSA-N,3,1,0.4,31,194,464.942,3.992,5,0.371,0.63,0.997,0.6152337057089987,0.5507333287643068,0.16612980604482214,0.1662497429922555,0.3745866458775958
EOS-3-42846,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ocnc5-c5cccnn5)n34)nn2)o1,IULAAEJUSDTHCC-UHFFFAOYSA-N,3,1,0.255,70,887,424.384,2.657,6,0.411,0.53,0.966,0.09318244123089575,0.0562846960455075,0.05159002124597355,0.057578301692824345,0.0646588650538003
EOS-3-42847,Fc1ccccc1CCOc1cncc2nnc(-c3cncc(-c4ncc(Cl)s4)c3)n12,PMFPBDBFCHZJGA-UHFFFAOYSA-N,3,1,0.662,84,73,452.902,4.724,5,0.371,0.69,1.0,0.7228257144815297,0.7326691110958811,0.6666438215338222,0.7169231032828456,0.7097654375985196
EOS-3-42848,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)c(-c2cccc(C)n2)n1,CANQPYMGGIMLQR-UHFFFAOYSA-N,3,1,0.286,98,193,461.533,4.446,6,0.377,0.64,1.0,0.05828935645260777,0.02908470975258721,0.24868926050304982,0.20506647933657735,0.13528245151120555
EOS-3-42849,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)s1,XQQYPYTZPBJJQE-UHFFFAOYSA-N,3,1,0.539,37,628,467.917,4.427,5,0.365,0.66,1.0,0.7730193269823864,0.7764632307586868,0.4855561647590981,0.5316804879720376,0.6416798026180522
EOS-3-42850,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)c1,OQQOFLXTPHUCGK-UHFFFAOYSA-N,3,1,0.57,11,429,463.328,5.177,5,0.346,0.76,1.0,0.9559831402919607,0.9421475567130423,0.8228873963402097,0.8729011034199163,0.8984797991912823
EOS-3-42851,Cc1ncc(-c2nnc3cncc(OCc4nc(-c5cncnc5)ncc4F)n23)cn1,XMXHUOYAUOPYBE-UHFFFAOYSA-N,3,1,0.422,51,435,416.38,1.855,5,0.418,0.61,1.0,0.6495442395997533,0.5738211911452266,0.11226954972243164,0.09061236378589542,0.3565618360633267
EOS-3-42852,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)cnn4)n23)n1,MFCIRUWJCSHEFN-UHFFFAOYSA-N,3,1,0.432,19,848,413.416,3.404,5,0.394,0.73,1.0,0.5725104516482763,0.5549910903981906,0.42520217942567334,0.47952504968816395,0.508057192790076
EOS-3-42853,COc1cc(-c2nnc3cncc(-c4ccc(C(F)F)nn4)n23)ccc1-c1cccnc1F,XHNQZJJKHBCUTR-UHFFFAOYSA-N,3,1,0.349,96,121,449.396,4.396,5,0.368,0.62,1.0,0.4895312178740319,0.5791755191556439,0.8883130011651018,0.8206599958878761,0.6944199335206634
EOS-3-42854,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncccn1,KUVWECQHSSFVFP-UHFFFAOYSA-N,3,1,0.441,49,896,460.885,3.322,5,0.337,0.61,1.0,0.8015557535467068,0.6265763141662669,0.23442533068329793,0.205075046261394,0.4669081111644164
EOS-3-42855,Fc1ccc(F)c(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)n[nH]4)n23)c1,PEUGIYSFFCBGHX-UHFFFAOYSA-N,3,1,0.469,88,963,453.84,4.13,5,0.388,0.62,1.0,0.7228342814063464,0.704972243163594,0.857643410321431,0.8812110204920841,0.7916652388458638
EOS-3-42856,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1nc[nH]n1,GHATXLPKSJDALF-UHFFFAOYSA-N,3,1,0.527,47,164,454.828,3.525,5,0.391,0.57,1.0,0.9172520731958056,0.9060037009115208,0.7502827085189501,0.7692241792886025,0.8356906654787197
EOS-3-42857,Cc1nc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4F)n23)ccc1-c1cncn1C,VNZVYZJMXCXKTC-UHFFFAOYSA-N,3,1,0.411,46,1,458.432,3.624,5,0.396,0.55,0.235,0.6318878075526009,0.5549996573230074,0.8035604139538072,0.7169316702076622,0.6768448872592694
EOS-3-42858,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cnc(Cl)nc1,PWBOAUFHOHCGDX-UHFFFAOYSA-N,3,1,0.453,95,462,468.308,3.305,5,0.349,0.65,0.864,0.4278579261188404,0.41080974573367146,0.28512439174833804,0.3565125762456309,0.3700761599616202
EOS-3-42859,Fc1cccc(COCc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c1F,LLYSINFQSHEXHW-UHFFFAOYSA-N,3,1,0.417,14,153,464.863,4.897,5,0.333,0.78,0.999,0.5403844835857721,0.5644918100198753,0.9335977657460078,0.940348502501542,0.7447056404632992
EOS-3-42860,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5nccnn5)c4)n23)cn1,MSWDGRYHLBMSGX-UHFFFAOYSA-N,3,1,0.59,37,669,465.304,3.967,5,0.347,0.61,1.0,0.9456171612637927,0.9651154821465286,0.5864831060242616,0.6717497087245562,0.7922413645397848
EOS-3-42861,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cc2Cl)ccn1,ZEUBPCCMBNREKX-UHFFFAOYSA-N,3,1,0.512,4,677,445.914,4.436,5,0.398,0.65,1.0,0.4532245905009938,0.5274741278870536,0.5603454184086081,0.5048317455966006,0.511468970598314
EOS-3-42862,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncn4)n23)cn1,KKGKLIWNVZCRKL-UHFFFAOYSA-N,3,1,0.451,51,48,416.38,1.855,5,0.418,0.58,0.998,0.5456445754232061,0.5365979028168049,0.11227811664724831,0.08862483722842848,0.32078635802892197
EOS-3-42863,FC(F)c1cnc(COc2cncc3nnc(-c4cccnc4-c4ncc(Cl)cn4)n23)cn1,XIGHNQFCSPCXBV-UHFFFAOYSA-N,3,1,0.494,7,535,467.827,3.603,5,0.369,0.61,0.999,0.6436244945514358,0.7634329381125351,0.4646271674319786,0.45189671715441027,0.5808953293125899
EOS-3-42864,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)c6)cn5)n34)o2)n(C)n1,QFHYBLLZISXSBP-UHFFFAOYSA-N,3,1,0.267,76,387,469.896,4.266,6,0.352,0.69,0.999,0.07705092180111027,0.19401514632307587,0.2415701459803989,0.2996110616133233,0.20306181892947708
EOS-3-42865,Cc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,BOQZCMBADKPPIL-UHFFFAOYSA-N,3,1,0.575,11,352,460.9,4.971,5,0.333,0.75,1.0,0.9005808375025701,0.9378897950791584,0.8607018024809814,0.8479028168048797,0.8867688129668974
EOS-3-42866,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cn4)n23)nc1Cl,PNZXWFIOEAVOAK-UHFFFAOYSA-N,3,1,0.38,46,379,469.267,4.063,5,0.355,0.65,1.0,0.7557655404016175,0.7634415050373518,0.5833561784661778,0.6746281954629566,0.6942978548420259
EOS-3-42867,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6c[nH]nn6)n5)n34)s2)cc1,BKZKONAQMKSPKO-UHFFFAOYSA-N,3,1,0.329,76,387,447.487,4.239,6,0.429,0.58,1.0,0.11030772393941471,0.19402371324789253,0.4991518744431499,0.5579895140840244,0.3403682064286204
EOS-3-42868,Cc1cnc(-c2nnc3cncc(-c4cccnc4-c4ccc(-c5noc(C)n5)n4C)n23)cn1,FPKUIIWRTWCDKE-UHFFFAOYSA-N,3,1,0.265,86,652,450.466,3.316,6,0.397,0.53,1.0,0.0751576314166267,0.04165238845863889,0.06125351243917483,0.053234870810773764,0.057824600781303546
EOS-3-42869,COc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cccc(C)n4)n23)c(OC)c1,CXVRMPLYZBQHHT-UHFFFAOYSA-N,3,1,0.5,1,347,453.502,4.758,5,0.351,0.73,1.0,0.38313001165101773,0.07849873209512713,0.6640137756151052,0.4455314920156261,0.39279350284421904
EOS-3-42870,Cc1ncc(-c2cc(-c3nnc4cncc(Cc5ccc(Cl)nc5)n34)nn2C)cn1,ZDCOOKRSPGQEKH-UHFFFAOYSA-N,3,1,0.287,85,976,417.864,2.929,5,0.414,0.62,0.395,0.06728462751010897,0.12006545130559934,0.22711774381468028,0.2431121924473991,0.16439500376944693
EOS-3-42871,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cnn2)cn1,DSPBIHHOXRRDMY-UHFFFAOYSA-N,3,1,0.462,55,283,431.847,2.974,5,0.387,0.54,1.0,0.6264820779932835,0.772179768350353,0.3104396545815914,0.3093088205057912,0.5046025803577547
EOS-3-42872,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4cccc(F)c4-n4ccnc4)n23)c1,HSXNLKGLQPKOHW-UHFFFAOYSA-N,3,1,0.473,40,247,466.48,4.096,6,0.367,0.66,1.0,0.5327427866493044,0.3915598656706189,0.6349461997121513,0.5804776917277774,0.534931635939963
EOS-3-42873,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3F)n12,SSEWQIBMDCZDQX-UHFFFAOYSA-N,3,1,0.319,98,642,480.467,3.254,6,0.366,0.67,1.0,0.3715817969981495,0.382427523816051,0.47172058118017957,0.41388527174285517,0.40990379343430877
EOS-3-42874,COc1ccc(Oc2cncc3nnc(-c4cccc(-c5cnn(C)c5C)c4)n23)cn1,XOXXWGPVPYZVMY-UHFFFAOYSA-N,3,1,0.442,15,374,413.441,3.696,5,0.434,0.77,1.0,0.2612826399835515,0.12362929202933315,0.4102614625454047,0.23418545678843122,0.2573397128366801
EOS-3-42875,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5csc(C)n5)n34)ncn2)cn1,VGQQACTWYFNOOU-UHFFFAOYSA-N,3,1,0.438,44,238,416.47,3.296,5,0.43,0.68,1.0,0.28261428277705436,0.21781406346377905,0.12940339935576725,0.08163422657802755,0.17786649304365706
EOS-3-42876,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nn2C)s1,NYAMIBPWNPJRAN-UHFFFAOYSA-N,3,1,0.438,31,477,453.919,3.022,5,0.386,0.58,0.926,0.3145432115687753,0.28963916112672194,0.029787197587553972,0.05189843053937359,0.1714670002056062
EOS-3-42877,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccns5)n34)c2)cc1F,SLSCDQSEUQONJW-UHFFFAOYSA-N,3,1,0.529,16,439,436.447,4.475,5,0.404,0.63,1.0,0.5955554794051128,0.6031629086423137,0.7755294359536701,0.7538294153930505,0.6820193098485368
EOS-3-42879,Cc1cc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cc3F)n12,GOKVVHKNPONUNW-UHFFFAOYSA-N,3,1,0.53,59,293,464.863,5.067,5,0.361,0.73,1.0,0.9116835720649715,0.9217068741004729,0.9033822219176204,0.9026111986841203,0.9098459666917962
EOS-3-42880,N#Cc1ccccc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,OAHLIPLEWISRTG-UHFFFAOYSA-N,3,1,0.541,35,352,453.893,4.395,5,0.351,0.67,1.0,0.9172606401206223,0.9162497429922555,0.8283787951476937,0.8365430744979782,0.8746080631896375
EOS-3-42881,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)ncn2)n1,PXOUFKDQLXHHAN-UHFFFAOYSA-N,3,1,0.37,53,52,467.375,2.13,5,0.375,0.55,0.314,0.48457096840518127,0.4863014872181482,0.39243369200191897,0.2578473031320677,0.405288362689329
EOS-3-42882,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cn5)c4)n23)nc1Cl,QPNKYRBPSRPOOB-UHFFFAOYSA-N,3,1,0.443,73,199,469.267,4.063,5,0.355,0.66,1.0,0.8277705434857103,0.8210797752038929,0.5960780618189295,0.6835977657460078,0.732131536563635
EOS-3-42883,Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)c2)cn1,DCQLOBRQJYIDGB-UHFFFAOYSA-N,3,1,0.424,2,995,435.369,4.161,5,0.392,0.59,1.0,0.7377749982866151,0.7634500719621684,0.8883215680899185,0.8479113837296964,0.8093645055170996
EOS-3-42884,COc1nnc(-c2cc(Cl)c(-c3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)cn2)s1,ZJGQTAJEAIIMFS-UHFFFAOYSA-N,3,1,0.38,74,768,478.925,3.441,5,0.406,0.67,0.689,0.387739017202385,0.39630594201905284,0.15985025015420465,0.13596566376533478,0.2699652182852443
EOS-3-42885,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1F,BEVVPXYCTLMWJH-UHFFFAOYSA-N,3,1,0.585,37,265,467.867,4.14,5,0.373,0.63,1.0,0.8513724213556302,0.7890052086902886,0.8546706874100473,0.854859159756014,0.837476869302995
EOS-3-42886,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ncccn6)n5)n34)cn2)ccn1,IGZRPIDYIRWJSH-UHFFFAOYSA-N,3,1,0.283,86,723,437.402,2.425,6,0.382,0.51,1.0,0.009457884997601262,0.13759337948050168,0.15357069426358713,0.19611404290315948,0.12418400041121239
EOS-3-42888,Cc1cc(CCOc2cncc3nnc(-c4cnc(-c5cnc(F)c(C)n5)cn4)n23)ccn1,SNQFQSGLCBMSIO-UHFFFAOYSA-N,3,1,0.44,31,720,443.446,2.811,5,0.39,0.52,0.997,0.6152422726338154,0.5230364608320197,0.17270063737920635,0.1293948324309506,0.360093550818998
EOS-3-42889,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cc1,AKARXTXWTZGQQK-UHFFFAOYSA-N,3,1,0.542,63,536,404.405,2.797,5,0.531,0.89,1.0,0.57504626139401,0.2178226303885957,0.3253461037625934,0.35652114317044753,0.3686840346789117
EOS-3-42890,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5cccnc5Cl)n4)n23)cc1,HVYIEMGILGCYBH-UHFFFAOYSA-N,3,1,0.302,39,527,471.847,3.079,6,0.356,0.61,0.956,0.01637996024946885,0.1566376533479542,0.12941196628058393,0.302712288396957,0.15128546706874102
EOS-3-42891,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)nc2F)n1,PNJPVBFPGVQQKZ-UHFFFAOYSA-N,3,1,0.396,31,814,453.388,2.416,5,0.361,0.56,0.529,0.5750548283188267,0.5182561167843192,0.32535467068741003,0.34698615584949627,0.441412942910013
EOS-3-42892,Cc1nc(-c2cnc(CO)cn2)cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)n1,JZDDFDWAHCJFNK-UHFFFAOYSA-N,3,1,0.404,31,330,459.445,1.995,5,0.36,0.57,1.0,0.4671544102528956,0.3488451785347132,0.17905729559317388,0.14069460626413544,0.2839378726612295
EOS-3-42893,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)n5)n34)cn2)c1,HLEAAKMCEGZCQZ-UHFFFAOYSA-N,3,1,0.345,30,298,450.893,4.754,6,0.385,0.63,0.997,0.018230416009869098,0.18113905832362415,0.5473065588376397,0.6746367623877733,0.35532819888972655
EOS-3-42894,Cc1ncsc1COc1cncc2nnc(-c3ccc(-c4ccc(F)nc4)cn3)n12,ZRDLKIFDNLGSIR-UHFFFAOYSA-N,3,1,0.416,46,959,419.445,3.731,5,0.401,0.69,1.0,0.592608457268179,0.5738297580700432,0.35518470289904736,0.3340843670755945,0.46392682132821605
EOS-3-42895,COCCc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)c(Cl)c4)n23)nn1,DVWFGYBNVAAKAY-UHFFFAOYSA-N,3,1,0.529,4,534,473.924,4.065,5,0.332,0.7,1.0,0.5121136316907683,0.6081574258104311,0.4682852443286958,0.48260914262216437,0.5177913611130149
EOS-3-42896,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1,UUPZQMODSJETRK-UHFFFAOYSA-N,3,1,0.45,22,681,420.339,3.225,5,0.324,0.74,0.948,0.1705846069494894,0.24362620793639916,0.5506390925913234,0.4329124117606744,0.3494405798094716
EOS-3-42897,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)c(F)cc1F,YVNDLXICSYMBAH-UHFFFAOYSA-N,3,1,0.489,73,469,455.375,3.722,5,0.376,0.58,1.0,0.612466588993215,0.6177866493043657,0.9305907751353574,0.9118463436364882,0.7681725892673565
EOS-3-42898,COc1ncc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1-c1ccc(C)nn1,OEBOLAZZUNWBQS-UHFFFAOYSA-N,3,1,0.484,65,657,474.912,3.63,5,0.349,0.67,1.0,0.5611250085669248,0.6031714755671305,0.347534439037763,0.2815605510246042,0.44834786854910563
EOS-3-42899,N#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cn1,KYCGXVIDXUZEMF-UHFFFAOYSA-N,3,1,0.402,7,113,414.414,1.945,5,0.419,0.69,0.995,0.4160441367966555,0.33898464807072853,0.11228668357206498,0.09646357343567953,0.24094476046878213
EOS-3-42900,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)[nH]1,VJHLGJOIQBXPLX-UHFFFAOYSA-N,3,1,0.303,30,93,429.487,5.219,6,0.415,0.75,0.995,0.12111918305804949,0.09485299157014598,0.6750736755534233,0.6717582756493728,0.3907010314577479
EOS-3-42901,CCn1nc(C)cc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3F)n12,AZGYEXFHXGMBOI-UHFFFAOYSA-N,3,1,0.384,36,662,420.412,2.214,5,0.415,0.61,0.924,0.27994996915907067,0.36306627373038175,0.04313446645192242,0.03245151120553766,0.17965055513672812
EOS-3-42902,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccccc5F)n34)cn2)cn1,QYZBOPHZQZYWLL-UHFFFAOYSA-N,3,1,0.537,7,212,418.367,2.896,5,0.429,0.58,1.0,0.6094424645329313,0.7464704269755329,0.5062709889658008,0.5182047152354191,0.595097148927421
EOS-3-42903,CCn1c(-c2cncc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)cc3)n12,VIGFEEFATFLAIZ-UHFFFAOYSA-N,3,1,0.298,8,474,480.511,3.98,6,0.368,0.69,0.998,0.22336543074497978,0.2689757384689192,0.1414998971969022,0.17688129668974026,0.20268059077513537
EOS-3-42904,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)cn1,DXRKJKAOSAFZRE-UHFFFAOYSA-N,3,1,0.456,46,181,414.404,3.065,5,0.404,0.67,1.0,0.6009355081899801,0.4685936536220958,0.4576879583304777,0.3760365979028168,0.4758134295113426
EOS-3-42905,Fc1ccc(-c2ccc(Cl)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,DKGFYIIJVCCNMV-UHFFFAOYSA-N,3,1,0.615,43,613,467.291,5.273,5,0.35,0.8,1.0,0.9746676033171133,0.9861815502707149,0.9336063326708245,0.9540298814337606,0.9621213419231033
EOS-3-42906,Cc1csc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)nn2C)n1,ZZHZFKGRHHHXLK-UHFFFAOYSA-N,3,1,0.426,31,477,441.904,3.825,5,0.395,0.62,0.991,0.38313857857583444,0.2534781714755671,0.09213727640326229,0.1114813926392982,0.2100588547734905
EOS-3-42907,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)cc5Cl)ccn4)n23)cn1,UDBNCTFTXAMLPQ-UHFFFAOYSA-N,3,1,0.535,4,390,464.316,4.838,5,0.368,0.73,1.0,0.6094510314577479,0.7506596532108835,0.7068826673977109,0.7331145911863477,0.7000269858131725
EOS-3-42908,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)nc4)n23)cn1,VYJNSACSZRUXFC-UHFFFAOYSA-N,3,1,0.314,86,812,466.896,3.759,6,0.361,0.62,0.985,0.19584846823384278,0.21783119731341238,0.31044822150640805,0.3214567198958262,0.26139615173737235
EOS-3-42909,Fc1cncc(CCOc2cncc3nnc(-c4cc(Cl)cc(-c5nccs5)c4)n23)c1,FJVMHADSUMBUMT-UHFFFAOYSA-N,3,1,0.547,35,429,452.902,4.724,5,0.371,0.66,1.0,0.7498029607292166,0.8323281474881776,0.7044239599753273,0.7488177643752998,0.7588432081420053
EOS-3-42911,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)c(F)c1F,YOLWGROLSSOXGH-UHFFFAOYSA-N,3,1,0.253,39,872,473.382,2.703,6,0.355,0.58,1.0,0.01915564389006922,0.11671578370228222,0.5097405935165513,0.5835275169625112,0.30728488451785346
EOS-3-42912,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cnn2)s1,HDMFGVPAQSPIKM-UHFFFAOYSA-N,3,1,0.461,55,283,436.888,3.641,5,0.384,0.58,0.992,0.5926170241929957,0.6851226783633747,0.22344253306832979,0.25488314714550064,0.4390163456925502
EOS-3-42913,Cn1c(F)cnc1-c1cccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c1,NSYTUHUZEHHUCY-UHFFFAOYSA-N,3,1,0.448,73,379,454.828,3.492,5,0.375,0.58,1.0,0.5926255911178123,0.6081659927352477,0.527028647796587,0.5546398464807073,0.5706150195325885
EOS-3-42914,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cscn5)n4)n23)nc1,YXCMZAYDCMOTNE-UHFFFAOYSA-N,3,1,0.433,6,297,467.518,3.684,6,0.365,0.63,1.0,0.3269652525529436,0.2584898224933178,0.1693938043999726,0.13390103488451785,0.22218747858268798
EOS-3-42915,Cn1nc(-c2nnc3cncc(OCCc4ccnnc4)n23)cc1-c1cncc(F)c1,DJKARIHCUVPHGC-UHFFFAOYSA-N,3,1,0.441,95,569,417.408,2.137,5,0.413,0.62,1.0,0.4461911452265095,0.3047683503529573,0.2344338976081146,0.24004523336303202,0.30635965663765335
EOS-3-42916,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(F)n2)n1,UMLDIDIWKRXFRD-UHFFFAOYSA-N,3,1,0.506,58,271,450.865,3.396,5,0.366,0.57,1.0,0.6862877801384415,0.7000548283188267,0.4611746967308615,0.4765266260023302,0.5810109827976149
EOS-3-42917,CCc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cnc(C)nc1,BKRSGJAFUJANQQ-UHFFFAOYSA-N,3,1,0.429,18,578,456.485,3.67,5,0.342,0.63,1.0,0.6094595983825646,0.6031800424919471,0.3104567884312247,0.2341940237132479,0.4393226132547461
EOS-3-42918,Cc1noc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)c(F)c5)n34)n2)n1,USNIKOQJMQTEHW-UHFFFAOYSA-N,3,1,0.397,32,126,467.439,5.157,6,0.354,0.77,1.0,0.34396203138921255,0.4729627852785964,0.7044325269001439,0.7563994928380509,0.5694392091015009
EOS-3-42919,Cc1cc(-c2nncn2C)nnc1Cc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,COHVWHJIEJWACK-UHFFFAOYSA-N,3,1,0.326,98,890,464.497,2.072,6,0.376,0.57,1.0,0.07938112535124392,0.04166095538345555,0.023387704749503118,0.019995202522102667,0.04110624700157631
EOS-3-42920,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)c(F)c1,OYKQQKQZLFFMKQ-UHFFFAOYSA-N,3,1,0.586,23,406,486.334,4.751,5,0.408,0.86,1.0,0.7319923240353643,0.6129720375573984,0.7144729627852786,0.834666917963128,0.7235260605852923
EOS-3-42921,Cc1nc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5)nn4)n23)c(-c2cccc(F)c2)s1,RLMOTVSYPULZJP-UHFFFAOYSA-N,3,1,0.31,10,541,469.509,4.22,6,0.381,0.64,0.977,0.028999040504420533,0.18528544993489138,0.23444246453293127,0.2934514426701391,0.1855445994105956
EOS-3-42922,COc1nc(F)ccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)cn1,WCNZYOXKYFSKRM-UHFFFAOYSA-N,3,1,0.295,86,927,468.416,1.829,6,0.341,0.61,0.999,0.12669625111370023,0.2740216571859365,0.059137482009457884,0.05904324583647454,0.1297246590363923
EOS-3-42923,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)cnn4)n23)c1,XEPXKROFUPUSRH-UHFFFAOYSA-N,3,1,0.56,19,752,464.863,4.801,5,0.359,0.68,1.0,0.8348382564594613,0.8837296963881845,0.897899390034953,0.9317815776848742,0.8870622301418682
EOS-3-42924,Cc1cnc(-c2cc(Cl)ccn2)cc1-c1nnc2cncc(OCCc3ccncc3F)n12,IMQOJURPBIHPHW-UHFFFAOYSA-N,3,1,0.517,75,904,461.888,4.366,5,0.371,0.61,1.0,0.7984373929134397,0.7420755945445823,0.677609485299157,0.6921389897882256,0.7275653656363512
EOS-3-42925,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)nc(CF)n2)s1,FIRKZGDRGJWYQP-UHFFFAOYSA-N,3,1,0.418,31,851,467.465,3.033,5,0.356,0.61,0.986,0.5070505791241177,0.41551298745802207,0.05914604893427455,0.08323624151874442,0.26623646425878966
EOS-3-42926,Fc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cc1,UECUOQBIONQPJZ-UHFFFAOYSA-N,3,1,0.523,40,611,471.481,3.813,6,0.389,0.63,1.0,0.662034815982455,0.7049808100884106,0.27399595641148655,0.3154341717497087,0.48911143855801525
EOS-3-42927,O=CCc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)co1,DORCFBUHWQQNAX-UHFFFAOYSA-N,3,1,0.472,87,76,427.424,2.599,5,0.344,0.61,1.0,0.3508070043177301,0.14882461791515317,0.19217325748749228,0.14789082311013638,0.20992392570762797
EOS-3-42929,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c1,AXGPZPRIQBSCQT-UHFFFAOYSA-N,3,1,0.338,64,885,451.877,5.224,6,0.362,0.76,1.0,0.29101843602220545,0.34885374545952985,0.647308272222603,0.7488263313001166,0.5090016962511137
EOS-3-42930,CCn1nc(-c2nncn2C)cc1Oc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,GNNCHYVVILKZEF-UHFFFAOYSA-N,3,1,0.347,67,622,464.493,3.658,6,0.367,0.64,0.995,0.2691813446645192,0.22321979302309644,0.06943492563909259,0.07634843396614352,0.15954612432321294
EOS-3-42931,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncn6)cc5)n34)s2)nc1,XVAZEBIYEMRMFM-UHFFFAOYSA-N,3,1,0.319,32,126,433.5,5.039,6,0.387,0.72,1.0,0.15160030155575355,0.1940322801727092,0.5437170173394559,0.554648413405524,0.36099950311836065
EOS-3-42932,Cc1ccccc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)c1,RUXQJYUMDCFXQQ-UHFFFAOYSA-N,3,1,0.511,1,230,457.921,4.886,5,0.391,0.71,1.0,0.9265129189226236,0.8785981084230005,0.9085737783565211,0.8868309231718182,0.9001289322184909
EOS-3-42933,Cc1nn(C)c(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cnc(F)cn4)cn3)n12,IHLPRDVLUGWKJP-UHFFFAOYSA-N,3,1,0.427,31,773,465.88,3.099,5,0.376,0.58,0.996,0.4556061956000274,0.5274826948118704,0.16940237132478925,0.21104619285861148,0.3408843636488246
EOS-3-42934,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cnc(Cl)cc5F)c4)n23)n1,NDBVRMOBGMOXDE-UHFFFAOYSA-N,3,1,0.469,87,173,465.851,4.196,5,0.347,0.66,1.0,0.7984459598382565,0.852511822356247,0.8137893221849085,0.8305547940511274,0.8238254746076348
EOS-3-42935,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)cc(Cl)n2)n1,JDTGPJVGSQSJGO-UHFFFAOYSA-N,3,1,0.518,58,28,465.851,4.196,5,0.347,0.66,1.0,0.9438095401274759,0.9180230964293057,0.7378606675347817,0.7616424508258516,0.8403339387293537
EOS-3-42936,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)cs5)n34)c2)o1,AJEBRCLAXVRQAH-UHFFFAOYSA-N,3,1,0.536,4,506,424.873,4.444,5,0.411,0.64,1.0,0.6291378246864505,0.670516071550956,0.38887841820300184,0.41062127338770477,0.5247883969570283
EOS-3-42937,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)ccc1F,VIWDYPYSBKWSJD-UHFFFAOYSA-N,3,1,0.511,35,884,460.9,4.971,5,0.356,0.73,1.0,0.8734922212322664,0.8919625111370023,0.8747772599547666,0.8769960934822836,0.8793070214515797
EOS-3-42938,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cnn2)cn1,TZOUBGLGTRTZPP-UHFFFAOYSA-N,3,1,0.432,53,587,448.834,1.553,5,0.403,0.5,0.999,0.45561476252484406,0.48631005414296485,0.13852717428551847,0.15561818929477075,0.30901754506202456
EOS-3-42939,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1cccnn1,PNCWFDROIREXDA-UHFFFAOYSA-N,3,1,0.452,53,569,417.408,2.137,5,0.413,0.63,1.0,0.4343088205057912,0.29972243163594,0.1887636214104585,0.19612260982797616,0.27972937084504146
EOS-3-42940,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)cn1,WUZLPHQSCUXZHV-UHFFFAOYSA-N,3,1,0.531,97,91,421.432,4.772,5,0.383,0.75,1.0,0.8793434308820506,0.8172503598108423,0.9033907888424371,0.8949181001987526,0.8737256699335206
EOS-3-42941,N#Cc1cncc(-c2cc(Cl)nc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)c1,MHDGVBYSGCOSLL-UHFFFAOYSA-N,3,1,0.412,18,367,472.871,3.929,5,0.341,0.66,0.999,0.7498115276540334,0.7420841614693989,0.7502912754437667,0.7856555410869714,0.7569606264135426
EOS-3-42942,Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5nccn5C)c4)n23)nc1,XJZAOWAKMQLZDR-UHFFFAOYSA-N,3,1,0.535,4,353,415.432,3.613,5,0.436,0.66,1.0,0.5982112260982798,0.6081745596600644,0.5540658625179905,0.46753992186964566,0.5569978925364951
EOS-3-42943,COCc1noc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(C)n4)n23)n1,FEDJTZLHUOGVIF-UHFFFAOYSA-N,3,1,0.354,31,690,433.432,2.004,5,0.375,0.57,0.852,0.1759646357343568,0.10782331574258104,0.024227263381536565,0.010785758344184772,0.0797002433006648
EOS-3-42944,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5cc[nH]n5)n4)n23)cc1-c1ccccn1,IWXGCFYOTWPJKQ-UHFFFAOYSA-N,3,1,0.516,28,218,464.464,4.357,6,0.39,0.62,0.989,0.6318963744774175,0.6802994996915908,0.6234322527585497,0.6014666575286135,0.6342736961140429
EOS-3-42945,Fc1cc(-c2nnc3cncc(OCc4cncc(C#Cc5cccs5)n4)n23)ccc1Cl,VLULLQMWMNMENC-UHFFFAOYSA-N,3,1,0.56,4,401,462.897,4.414,5,0.368,0.7,1.0,0.8466606127064629,0.9522479610718936,0.8354293742718114,0.8264940716880269,0.8652080049345486
EOS-3-42946,OCC#Cc1ncc(COc2cncc3nnc(-c4ccc(F)c(-c5cscn5)c4)n23)nn1,BYEFKQABXHSMGI-UHFFFAOYSA-N,3,1,0.448,4,677,460.454,2.162,5,0.393,0.58,1.0,0.6009440751147967,0.6851312452881914,0.36262936056473166,0.3310002741415941,0.49492623877732844
EOS-3-42947,Fc1cncc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)c1F,JCWQZAKFYKDCEP-UHFFFAOYSA-N,3,1,0.389,46,564,452.812,3.549,5,0.373,0.56,0.892,0.7984545267630732,0.7233482968953464,0.7909327667740388,0.8036546501267905,0.7790975601398122
EOS-3-42948,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)cc2)cnn1,JDECUBGMOZWWQU-UHFFFAOYSA-N,3,1,0.324,3,150,465.908,4.458,6,0.354,0.65,1.0,0.01916421081488589,0.16434788568295525,0.5603539853334247,0.5956240148036461,0.33487252415872804
EOS-3-42949,Fc1cc(-n2cc(-c3cncc4nnc(-c5cnc(C6CC(F)C6)cn5)n34)cn2)cnc1F,OVBRYDNNAUKJCQ-UHFFFAOYSA-N,3,1,0.274,50,450,449.4,3.323,6,0.388,0.56,0.026,0.029007607429237203,0.1603128640943047,0.6290607223631005,0.6865105201836749,0.3762229285175793
EOS-3-42950,Cc1cnc(Oc2cc(C)c(-c3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)c(F)c2)nc1,CGZWIWHSLOGNHV-UHFFFAOYSA-N,3,1,0.343,82,336,471.496,4.419,5,0.401,0.69,1.0,0.6206480021931328,0.5738383249948599,0.6913593996299089,0.4233859913645398,0.5773079295456104
EOS-3-42952,c1ccc(-n2nccc2-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1,XBQHTKGABKNUCL-UHFFFAOYSA-N,3,1,0.324,30,298,421.489,4.768,6,0.41,0.68,1.0,0.048317455966006444,0.08548934274552807,0.492289767664999,0.5416009869097389,0.2919243883215681
EOS-3-42953,Cn1nc(Cl)cc1COc1cncc2nnc(-c3cnnc(-c4ccc(F)c(F)c4)c3)n12,CHHNPSLQXJRPJR-UHFFFAOYSA-N,3,1,0.44,36,391,454.828,3.492,5,0.401,0.54,1.0,0.5046347063258173,0.6410201494071688,0.7068912343225275,0.7462562538551162,0.6497005859776575
EOS-3-42954,COc1ncc(-c2nnc3cncc(OCc4cc(F)nc(C)n4)n23)cc1-c1cnc(C)cn1,KTMKWIHBRRXKGD-UHFFFAOYSA-N,3,1,0.427,7,85,459.445,2.777,5,0.35,0.62,1.0,0.572519018573093,0.477588924679597,0.17906586251799053,0.08680008224247825,0.32899347200328966
EOS-3-42955,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)cc1F,FBTDTSRNMFVGNU-UHFFFAOYSA-N,3,1,0.547,27,343,469.402,4.324,5,0.357,0.67,1.0,0.6348605304639846,0.8288242752381605,0.9701956685628127,0.92564765951614,0.8398820334452745
EOS-3-42956,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)s1,WSRSSMCDRDVYQI-UHFFFAOYSA-N,3,1,0.477,65,142,417.458,2.425,5,0.41,0.64,1.0,0.47222602974436295,0.3339387293537112,0.055582208210540746,0.050656226440956756,0.22810079843739292
EOS-3-42957,c1cnc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)nc1,OGYYUDWTMRWLBE-UHFFFAOYSA-N,3,1,0.284,86,513,432.411,1.952,6,0.402,0.47,0.999,0.11327187992598177,0.11093310945103146,0.051598588170790216,0.06354088136522514,0.08483611472825714
EOS-3-42958,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)c(Cl)c1,CTJMGMMOFZWQTH-UHFFFAOYSA-N,3,1,0.278,22,952,477.279,2.921,6,0.406,0.65,0.954,0.06729319443492564,0.26898430539373586,0.14441265163456926,0.32442087588239327,0.20127775683640603
EOS-3-42960,Cc1ncncc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)nc4)n23)nc1,WQUIOZMPZCSEAQ-UHFFFAOYSA-N,3,1,0.286,94,170,461.464,4.215,6,0.359,0.62,0.401,0.24256390925913235,0.32030018504557606,0.5371718867795217,0.5149664176547186,0.40375059968473714
EOS-3-42961,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6csnn6)c5)n34)cn2)n1C,RDKUDNOLIKEZOU-UHFFFAOYSA-N,3,1,0.27,70,968,452.507,3.476,6,0.4,0.54,1.0,0.10559591529024741,0.0785072990199438,0.14442121855938592,0.13169933520663424,0.11505594201905284
EOS-3-42962,CCc1cnc(Cl)cc1Cc1cncc2nnc(-c3ccc(C(=O)NC)nc3)n12,ZKUZBPIHMKKCAR-UHFFFAOYSA-N,3,1,0.389,63,5,407.865,2.748,4,0.511,0.73,0.999,0.20982968953464465,0.2128452470701117,0.20610307723939414,0.1529710095264204,0.19543725584264274
EOS-3-42963,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)cc5Cl)n34)cc2)n1,PPNBEAWCMRLDFR-UHFFFAOYSA-N,3,1,0.31,42,725,478.907,4.124,6,0.368,0.66,1.0,0.2964670002056062,0.309908505242958,0.4717291481049962,0.49479130971146595,0.3932239908162566
EOS-3-42964,C#Cc1ccc(COc2cncc3nnc(-c4cc(-c5cc(C)ccn5)ccn4)n23)cn1,FNHCJNOWIMWEAR-UHFFFAOYSA-N,3,1,0.489,18,181,419.448,3.512,5,0.403,0.61,1.0,0.4556233294496608,0.25849838941813447,0.5571670893016243,0.44554005894044274,0.4292072167774656
EOS-3-42965,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)cc2F)ncn1,JYADFCAXLXXANR-UHFFFAOYSA-N,3,1,0.447,4,799,466.839,3.857,5,0.384,0.59,1.0,0.7165975601398122,0.7890137756151052,0.7144815297100953,0.714464395860462,0.7336393153313687
EOS-3-42966,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)nc4Cl)n23)c1F,MMDGVUDZIDGMMW-UHFFFAOYSA-N,3,1,0.426,55,606,450.865,3.662,5,0.377,0.58,1.0,0.6377989856761017,0.5941076691110959,0.45432972380234393,0.4265985881707902,0.5282087416900829
EOS-3-42967,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)ccnc1Cl,NHKMOVQFKACYIK-UHFFFAOYSA-N,3,1,0.582,35,325,437.822,3.65,5,0.371,0.6,1.0,0.9145706257281886,0.8172589267356589,0.6290692892879172,0.6313395243643342,0.7480595915290247
EOS-3-42968,CCn1nc(C)cc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,WUQKOUHECUDNGM-UHFFFAOYSA-N,3,1,0.495,36,534,464.892,4.145,5,0.372,0.64,1.0,0.45323315742581044,0.694940374203276,0.43242409704612433,0.4675484887944623,0.5120365293674183
EOS-3-42969,Cc1nnc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)s1,DGCSXPDLYKVKLP-UHFFFAOYSA-N,3,1,0.394,53,466,418.446,1.82,5,0.402,0.6,0.994,0.3369371530395449,0.172477897333973,0.012482009457884998,0.010254609005551368,0.1330379172092386
EOS-3-42970,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1cnc(C)s1,PEBQRFDPDDLPIQ-UHFFFAOYSA-N,3,1,0.535,4,83,450.549,4.576,5,0.374,0.68,1.0,0.3416232609142622,0.3389932149955452,0.19218182441230897,0.0964721403604962,0.24231761017065317
EOS-3-42971,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)nc5)nc4)n23)cn1,MEONDRHAKYHMMU-UHFFFAOYSA-N,3,1,0.517,55,434,466.839,4.208,5,0.343,0.68,1.0,0.8625779590158317,0.8616355972859983,0.8283873620725104,0.7488348982249332,0.8253589541498183
EOS-3-42972,Cc1cc(Cl)nc(COc2cncc3nnc(-c4ccc(-c5cc(=O)n(C)cn5)c(C)n4)n23)n1,VENMROCSPIYNNZ-UHFFFAOYSA-N,3,1,0.35,31,690,475.9,2.586,5,0.352,0.65,1.0,0.3964772805153862,0.33394729627852787,0.0992649578507299,0.0832448084435611,0.22823358577205127
EOS-3-42973,Cc1ccncc1-c1nnc2cncc(OCc3ccnc(-c4ncc(F)cn4)n3)n12,CIDRKAJHJDCXON-UHFFFAOYSA-N,3,1,0.488,7,775,415.392,2.46,5,0.427,0.63,1.0,0.5584349941744912,0.5319117949420876,0.13522034130628469,0.12940339935576725,0.3387426324446577
EOS-3-42974,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)cn5)n34)cn2)s1,BTKNEZPIFVPSCV-UHFFFAOYSA-N,3,1,0.333,70,968,450.531,4.686,6,0.387,0.63,1.0,0.135057569734768,0.13760194640531834,0.3216623260914262,0.2846446439586046,0.2197416215475293
EOS-3-42975,c1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)s2)nc1,KHNPZLPOQBSRQU-UHFFFAOYSA-N,3,1,0.467,40,763,453.491,3.674,6,0.406,0.57,1.0,0.6124751559180317,0.5230450277568364,0.1598588170790213,0.1584024398601878,0.3634453601535193
EOS-3-42976,Clc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)o2)ccn1,YGNHELGSVODRSI-UHFFFAOYSA-N,3,1,0.321,38,641,458.894,4.68,6,0.35,0.7,1.0,0.1705931738743061,0.33900178192036184,0.3924422589267357,0.4795336166129806,0.34539270783359605
EOS-3-42977,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5cccnc5F)c4)n23)cc1F,QLTDDTDDOKYLTH-UHFFFAOYSA-N,3,1,0.265,10,356,472.394,3.308,6,0.359,0.58,0.907,0.01239634020971832,0.12363785895414982,0.6145055170995819,0.6977074909190597,0.3620618017956274
EOS-3-42978,CCn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(CO)c(F)c5)n34)cn2)nn1,VIEOEIYLIWSKRV-UHFFFAOYSA-N,3,1,0.443,92,212,447.434,2.07,5,0.398,0.54,1.0,0.3964858474402029,0.3963145089438695,0.2379206360084984,0.21105475978342814,0.3104439380439997
EOS-3-42979,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(F)n5)cnn4)n23)cn1,VNSBYWVTUSHROW-UHFFFAOYSA-N,3,1,0.304,70,719,450.441,3.245,6,0.376,0.53,0.97,0.1931241861421424,0.2232283599479131,0.32536323761222674,0.3405095606880954,0.27055633609759444
EOS-3-42980,Cc1n[nH]c(-c2ccnc(COc3cncc4nnc(-c5cnc(F)nc5)n34)c2)c1C,GFXFRUUADDTETQ-UHFFFAOYSA-N,3,1,0.494,7,434,417.408,2.701,5,0.434,0.64,1.0,0.42786649304365704,0.4729713522034131,0.2592779795764512,0.17990542115002398,0.3350053114933863
EOS-3-42981,Fc1cc(-c2cnc(COCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)ccn1,ZCBSCUQADXYELF-UHFFFAOYSA-N,3,1,0.392,85,290,464.411,3.832,5,0.335,0.65,0.996,0.5145295044890686,0.6177952162291823,0.7687101637996024,0.6950003426769926,0.6490088067987114
EOS-3-42982,Cn1cnnc1-c1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)no1,BUISZIGEMSBUHJ-UHFFFAOYSA-N,3,1,0.424,18,181,466.465,2.653,6,0.345,0.62,1.0,0.2691899115893359,0.07514906449181002,0.09654067575902954,0.09252278802001233,0.13335060996504694
EOS-3-42983,Fc1cncc(-c2cc(Cl)nc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c2)c1,WJYXKFJJUFKZFE-UHFFFAOYSA-N,3,1,0.413,46,959,468.279,4.668,5,0.346,0.7,1.0,0.74982009457885,0.67513364402714,0.8591426221643479,0.8921766842574189,0.7940682612569392
EOS-3-42984,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncns5)n4)n23)cc1,DIHQWNYKPNCXQN-UHFFFAOYSA-N,3,1,0.44,56,350,469.494,2.474,6,0.358,0.63,1.0,0.35542457679391404,0.23308032348708108,0.053637516277157155,0.04796621204852306,0.17252715715166883
EOS-3-42985,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccn(C)n1,DBSWTTMKJBFHQM-UHFFFAOYSA-N,3,1,0.469,87,307,462.901,3.265,5,0.363,0.58,1.0,0.46716297717771227,0.46432732506339525,0.2816547871975876,0.21684600095949558,0.3574977725995476
EOS-3-42986,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6nncn6C)cc5C)n34)nc2)n(C)n1,OHAIPZLOPLNSTR-UHFFFAOYSA-N,3,1,0.24,99,813,464.497,2.456,6,0.386,0.52,0.654,0.042431978616955655,0.06423480227537523,0.029795764512370638,0.0215029812898362,0.03949138167363443
EOS-3-42987,COc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,NTLPNPRIPBYAQE-UHFFFAOYSA-N,3,1,0.453,58,456,461.873,2.717,5,0.357,0.56,0.999,0.6206565691179494,0.5458930162428894,0.11531937495716538,0.10686382016311424,0.34718319512027956
EOS-3-42988,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cc(F)cc(F)c6F)nn5)n34)cn2)n1,DUUAYLGWBGGWNO-UHFFFAOYSA-N,3,1,0.287,10,872,476.382,3.21,6,0.353,0.68,1.0,0.1846943321225413,0.2585069563429511,0.45769652525529436,0.5048403125214174,0.35143453156055104
EOS-3-42989,COc1nc(-c2nnc3cncc(OCCc4ccc(F)c(C)n4)n23)ccc1-c1ncccn1,ZFUOOWPWIQLFGL-UHFFFAOYSA-N,3,1,0.434,49,896,458.457,3.116,5,0.363,0.57,1.0,0.7166061270646289,0.5411897745185388,0.16613837296963882,0.10470495510931396,0.38215980741553013
EOS-3-42990,Fc1cc(COc2cncc3nnc(-c4cnnc(-c5nccs5)c4)n23)c(F)nc1Cl,SCWKSEUSUZXMPD-UHFFFAOYSA-N,3,1,0.44,55,511,458.841,3.61,5,0.368,0.61,1.0,0.6466486190117195,0.6655900897813721,0.55064765951614,0.5864574052498115,0.6123359433897608
EOS-3-42991,CC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(C)c5)nc4)n23)c(F)c1,LVFGRYVLXVJGBF-UHFFFAOYSA-N,3,1,0.347,96,204,424.439,4.565,5,0.393,0.64,0.999,0.33456411486532794,0.3630748406551984,0.7404650126790487,0.6342522788020012,0.518089061750394
EOS-3-42992,Cc1cc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ccn2)ccn1,HRVWYIIKNZHGPD-UHFFFAOYSA-N,3,1,0.531,4,43,415.482,3.901,5,0.43,0.73,1.0,0.3530943732437804,0.30477691727777395,0.21315365636351175,0.15040093208142005,0.2553564697416216
EOS-3-42993,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5cnccn5)c[nH]4)n23)n1,UCXADFXZIFFGFR-UHFFFAOYSA-N,3,1,0.385,65,658,421.852,2.585,5,0.448,0.56,1.0,0.31199883489822494,0.2128538139949284,0.16614693989445548,0.20794496607497773,0.22473613871564663
EOS-3-42994,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)nn1,ZNBRQXUWXMUSAT-UHFFFAOYSA-N,3,1,0.518,16,214,456.318,4.591,5,0.382,0.67,1.0,0.7289424988006306,0.7420927283942156,0.6056216160646974,0.7088873278048112,0.6963860427660887
EOS-3-42995,NC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5cccnn5)n4)n23)cc1,FRCHARKUVPBNJM-UHFFFAOYSA-N,3,1,0.396,14,740,408.425,2.333,5,0.473,0.73,1.0,0.1239891028716332,0.03192892879172093,0.20967548488794463,0.15841100678500444,0.1310011308340758
EOS-3-42996,COC(=O)c1nnc(COc2cncc3nnc(-c4cncc(-c5ccc(C)nn5)c4)n23)cc1F,XTUHLXCUXKQBNP-UHFFFAOYSA-N,3,1,0.423,53,587,473.428,2.246,5,0.335,0.64,0.999,0.4255191556438901,0.30478548420259066,0.09654924268384621,0.059051812761291206,0.22147642382290456
EOS-3-42997,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnn2)nc1,AOZMCIZZTYSZSM-UHFFFAOYSA-N,3,1,0.551,87,65,415.392,2.194,5,0.411,0.62,1.0,0.6920961551641422,0.6265848810910836,0.13853574121033513,0.15297957645123705,0.40254908847919946
EOS-3-42998,Cc1nc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccccc5F)c4)n23)cs1,SRPPYFVIMYHVJH-UHFFFAOYSA-N,3,1,0.549,57,275,449.486,5.123,5,0.36,0.81,1.0,0.902285655541087,0.8837382633130012,0.745433829072716,0.7715972174628195,0.8257637413474059
EOS-3-42999,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1O,SKEWYKYPLBZDKZ-UHFFFAOYSA-N,3,1,0.57,97,744,460.881,4.195,5,0.402,0.6,1.0,0.6124837228428484,0.7000633952436434,0.6666523884586388,0.5804862586525941,0.6399214412994312
EOS-3-43000,CCn1cc(-c2cncc3nnc(-c4ccc(-c5cnnn5C)cn4)n23)c(-c2ccccc2)n1,WQIUOHJJSFYYKU-UHFFFAOYSA-N,3,1,0.257,98,179,448.494,3.532,6,0.397,0.52,1.0,0.017416558152285655,0.024295798780069905,0.12643067644438352,0.1407031731889521,0.0772115516414228
EOS-3-43001,c1ccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cn5)n34)n2)nc1,QFFFCMWZDRULFX-UHFFFAOYSA-N,3,1,0.323,32,687,419.408,3.36,6,0.423,0.55,1.0,0.11876327873346583,0.09166609553834555,0.18877218833527518,0.20205948872592694,0.15031526283325336
EOS-3-43002,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(Cl)n5)cn4)n23)c(F)c1,FVSQFBQEQNXKDS-UHFFFAOYSA-N,3,1,0.5,1,92,446.873,4.928,5,0.356,0.73,1.0,0.8251233637173601,0.8943869508601192,0.8320540058940443,0.8285072990199438,0.8450179048728668
EOS-3-43003,Cn1ncc(-c2ccccc2)c1-c1nnc2cncc(-c3cnn(-c4cnccn4)n3)n12,CIWGDOQLOMNLER-UHFFFAOYSA-N,3,1,0.291,86,342,421.428,2.229,6,0.425,0.52,0.917,1.7133849633335617e-05,0.00045404701528339387,0.046381330957439515,0.07431807278459324,0.030292646151737372
EOS-3-43004,Cc1cnsc1COc1cncc2nnc(-c3ccc(-c4cnc(C)n4C)nc3)n12,YAGWIJAYABFKGD-UHFFFAOYSA-N,3,1,0.459,55,168,418.486,3.239,5,0.432,0.61,1.0,0.36458261942293196,0.2637841820300185,0.07137105064765951,0.04269755328627236,0.18560885134672056
EOS-3-43005,Cc1cc(-c2nnc3cncc(OCc4csc(-c5ccccn5)n4)n23)ccc1Cl,QWTAPPILDOPKDA-UHFFFAOYSA-N,3,1,0.571,24,268,434.912,4.851,5,0.393,0.73,1.0,0.615250839558632,0.7764717976835035,0.47842848331163046,0.5149749845795353,0.5962815262833253
EOS-3-43006,Cc1nn(C)c(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nc1,CGOCQVJBDHZTAP-UHFFFAOYSA-N,3,1,0.573,4,677,463.904,4.575,5,0.379,0.67,1.0,0.5302669453772874,0.7764803646083202,0.6145140840243986,0.5804948255774107,0.6254390548968543
EOS-3-43007,CCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cncnc1,HOIYTUSHHYLJIJ-UHFFFAOYSA-N,3,1,0.43,18,578,458.913,3.876,5,0.338,0.63,0.994,0.612492289767665,0.6608354465081214,0.3513724213556302,0.3533342471386471,0.49450860119251594
EOS-3-43008,Cn1ccc(-c2cnc(-c3cncc4nnc(-c5cnc(Cc6ccc(F)cc6)nc5)n34)cn2)n1,HOXJNSFIEVJYHW-UHFFFAOYSA-N,3,1,0.313,86,443,464.468,3.169,6,0.382,0.52,1.0,0.16254883147145502,0.22323692687272975,0.3142947707490919,0.3310088410664108,0.2577723425399219
EOS-3-43009,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ncc(Cl)cn5)n4)n23)nc1,AGUOCQIFAGWSJX-UHFFFAOYSA-N,3,1,0.252,99,286,457.849,1.673,6,0.383,0.51,1.0,0.004728942498800631,0.10783188266739771,0.027534096360770338,0.04797477897333973,0.0470174251250771
EOS-3-43010,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5conn5)cn4)n23)nc1,PKQAUCYFKMDKCH-UHFFFAOYSA-N,3,1,0.394,6,843,453.426,2.006,6,0.364,0.56,1.0,0.23730381742169832,0.12364642587896649,0.09655780960866288,0.07245048317455965,0.13248963402097186
EOS-3-43011,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccncn5)ncn4)n23)c(F)c1,AWCQOUBPNPHEDU-UHFFFAOYSA-N,3,1,0.553,4,633,418.367,2.896,5,0.429,0.57,1.0,0.7818089918442875,0.8426512918922624,0.6260622986772668,0.6139486669864985,0.7161178123500789
EOS-3-43012,Fc1cccc(Cl)c1-c1noc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)n1,ZAKISVYNBWYIGU-UHFFFAOYSA-N,3,1,0.309,32,957,470.855,4.758,6,0.363,0.72,0.999,0.2639640874511685,0.41996778836268933,0.5740010965663765,0.6977160578438764,0.4889122575560277
EOS-3-43013,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C#Cc6cncn6C)nc5)n34)cc2)cn1C,HRATTXFFCJNIIM-UHFFFAOYSA-N,3,1,0.326,98,369,471.528,3.696,6,0.366,0.62,1.0,0.15961894318415462,0.14136282639983552,0.5170310465355356,0.37604516482763345,0.2985144952367898
EOS-3-43014,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nc4)n23)cc1,DUXISDUBBKZHJX-UHFFFAOYSA-N,3,1,0.59,97,676,435.459,5.431,5,0.356,0.82,1.0,0.9359708039202248,0.7142245219655953,0.9362192447399081,0.9038277020080872,0.8725605681584538
EOS-3-43015,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(=N)[nH]n5)c(C)n4)n23)n(C)n1,OQVYRDPUWFJDMO-UHFFFAOYSA-N,3,1,0.366,31,662,429.448,1.38,5,0.426,0.63,0.177,0.23993386334041533,0.15273970255637037,0.02423583030635323,0.007667397710917689,0.10614419847851415
EOS-3-43016,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5cc(-c6nncn6C)ccc5Cl)n34)s2)n1,QJHHNWASPJVCNP-UHFFFAOYSA-N,3,1,0.314,99,259,475.929,3.159,6,0.381,0.62,1.0,0.12670481803851688,0.3585600712768145,0.07137961757247618,0.13390960180933453,0.17263852717428554
EOS-3-43018,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cn1,XAGASRUIIPGQPD-UHFFFAOYSA-N,3,1,0.55,15,545,416.51,4.358,5,0.394,0.75,1.0,0.2852871633198547,0.21783976423822904,0.38152799671030085,0.3277105750119937,0.3030913748200946
EOS-3-43019,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)ccc1-c1cnco1,CZHGTYGEAWOBJG-UHFFFAOYSA-N,3,1,0.528,81,218,456.397,3.609,6,0.366,0.57,1.0,0.6774124460283737,0.5893444589130286,0.4543382907271606,0.4138938386676719,0.5337472585840587
EOS-3-43020,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(OCc5cccc(C)n5)n4)n23)cc1,AAVOKUAKVMAOSW-UHFFFAOYSA-N,3,1,0.385,14,92,456.937,5.021,5,0.357,0.74,1.0,0.517125282708519,0.6511805222397368,0.567284627510109,0.5013107394969502,0.5592252929888287
EOS-3-43021,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nn4)n23)c1F,RKDMJNXJSYCFPD-UHFFFAOYSA-N,3,1,0.402,54,411,419.355,2.29,5,0.423,0.54,1.0,0.6921047220889589,0.5411983414433555,0.439885888561442,0.4581934068946611,0.5328455897471044
EOS-3-43022,Cc1c(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc(-c2ccccc2)n1C,XYKRQEIXYBJKNB-UHFFFAOYSA-N,3,1,0.451,16,521,448.889,4.872,5,0.383,0.69,1.0,0.6495528065245699,0.6031886094167638,0.8098913713933247,0.8058220821054074,0.7171137173600165
EOS-3-43023,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)nc1,DDLWDDUMNYDIPD-UHFFFAOYSA-N,3,1,0.375,99,502,465.441,1.203,6,0.346,0.59,0.999,0.2585754917414845,0.15274826948118703,0.02862209581248715,0.023935987937769857,0.11597046124323213
EOS-3-43024,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4C(F)(F)F)n23)c(F)c1,GMDOTPSBOFXBLC-UHFFFAOYSA-N,3,1,0.592,23,240,440.759,5.321,4,0.403,0.71,1.0,0.9864385580152149,0.9867983688575149,0.9994602837365499,0.99966588993215,0.9930907751353574
EOS-3-43025,Cc1cc(Cc2cncc3nnc(-c4cc(F)cc(-c5cnn(C)c5)c4)n23)ccc1F,GDXHBJUMPKZMRQ-UHFFFAOYSA-N,3,1,0.364,14,358,416.435,4.369,5,0.437,0.71,1.0,0.28529573024467136,0.29483928449043934,0.9114693989445548,0.8907460078130355,0.5955876053731752
EOS-3-43026,Fc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)nn5)n4)n23)c(-c2cccnc2)c1,YHVGUSUFVVFNGA-UHFFFAOYSA-N,3,1,0.33,10,314,470.859,3.684,6,0.383,0.59,0.784,0.02901617435405387,0.2689928723185525,0.407185936536221,0.5610907408676582,0.3165714310191214
EOS-3-43027,Cc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)c1,QQXYHHXMSLYTMQ-UHFFFAOYSA-N,3,1,0.447,18,503,460.9,4.971,5,0.356,0.71,1.0,0.7984630936878898,0.7373980535946817,0.8264512370639435,0.8386762387773284,0.800247155780961
EOS-3-43028,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)[nH]4)n23)c(F)c1,MLAOMWZLHHKYJK-UHFFFAOYSA-N,3,1,0.353,67,745,472.875,3.831,6,0.414,0.6,1.0,0.18758138578575834,0.43798403125214175,0.46118326365567813,0.6045079158385306,0.4228141491330272
EOS-3-43029,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)c2)n1,TYIZRFNDKPDYCG-UHFFFAOYSA-N,3,1,0.359,93,228,464.92,4.969,6,0.366,0.72,1.0,0.20426118840381058,0.3339558632033445,0.6319820437255843,0.7434548694400658,0.4784134911932013
EOS-3-43030,CCCc1cnc(Cc2cncc3nnc(-c4cnc(-c5ccncc5)nc4)n23)cn1,GFNCLAZIVMQHPD-UHFFFAOYSA-N,3,1,0.341,85,674,409.457,2.977,5,0.421,0.79,1.0,0.2098382564594613,0.1339181687341512,0.05364608320197382,0.05190699746419025,0.11232737646494415
EOS-3-43031,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5nnccc5F)n34)c2)nn1,KMQWTOUETOLCEM-UHFFFAOYSA-N,3,1,0.404,53,587,415.392,2.46,5,0.427,0.61,1.0,0.4414279350284422,0.4060037009115208,0.22009286546501267,0.20795353299979438,0.3188695086011925
EOS-3-43032,COc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3cnc(Cl)cn3)n12,CMINNJKHKSCLNR-UHFFFAOYSA-N,3,1,0.457,65,324,461.873,2.717,5,0.357,0.58,0.972,0.6125008566924817,0.5691008155712426,0.1264392433692002,0.1090826536906312,0.354280892330889
EOS-3-43033,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5c(F)cccc5F)n34)ncn2)cn1,HXISAEKXPIFTLR-UHFFFAOYSA-N,3,1,0.38,44,971,417.379,4.022,5,0.436,0.64,0.998,0.6466571859365362,0.6410287163319854,0.7454423959975327,0.7031646220272771,0.6840732300733328
EOS-3-43034,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1-c1cncnc1,WRFYCUXDAZLPGD-UHFFFAOYSA-N,3,1,0.527,28,120,476.475,4.423,6,0.348,0.74,1.0,0.6862963470632581,0.6949489411280927,0.6381759303680351,0.6077804811184977,0.656800424919471
EOS-3-43035,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccnc(F)c6)n5)n34)cn2)n(C)n1,ONGBIXIYIIEWNN-UHFFFAOYSA-N,3,1,0.308,76,368,463.48,4.158,6,0.362,0.62,1.0,0.19045987252415872,0.2585155232677678,0.43603077239394145,0.4106298403125214,0.32390900212459733
EOS-3-43036,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncs5)n4)n23)cc1,VVWKYHQPDXQWBB-UHFFFAOYSA-N,3,1,0.446,40,350,467.518,3.684,6,0.365,0.65,1.0,0.37631073949695015,0.2896477280515386,0.277876773353437,0.22513878418203,0.29224350627098894
EOS-3-43037,Clc1cccc(Cl)c1-n1cnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1,NVSXXAGYWYKRSM-UHFFFAOYSA-N,3,1,0.278,10,871,476.291,3.526,6,0.409,0.62,0.682,0.0635494482900418,0.23825474607634844,0.2592865465012679,0.442284627510109,0.25084384209444177
EOS-3-43038,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)c2)cc1,IDURHRGJOZZGLD-UHFFFAOYSA-N,3,1,0.329,30,594,421.489,4.768,6,0.41,0.7,1.0,0.035004454800904666,0.09167466246316222,0.5771708587485436,0.6014752244534302,0.3263313001165101
EOS-3-43039,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)ncn2)cc1,QQORGSHAFLMMPD-UHFFFAOYSA-N,3,1,0.441,44,130,466.839,3.591,5,0.35,0.62,1.0,0.8145432115687753,0.8015643204715236,0.5133558357891851,0.6167671852511822,0.6865576382701666
EOS-3-43040,Fc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5)c4)n23)c1,YUOMJSKKTODTCL-UHFFFAOYSA-N,3,1,0.517,11,137,412.428,4.009,5,0.419,0.76,1.0,0.7730278939072031,0.7721883352751696,0.6557295593173874,0.6865190871084915,0.7218662189020629
EOS-3-43041,Fc1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1-c1cncs1,MARQUQWUHMQIAX-UHFFFAOYSA-N,3,1,0.42,45,358,439.878,5.437,5,0.374,0.76,1.0,0.43005105887190737,0.6608440134329381,0.9485813172503598,0.9675142210951957,0.7517476526626001
EOS-3-43042,Fc1cc(-c2nnc3cncc(-c4cnc(-c5ccccc5F)cn4)n23)ccc1-c1cncnc1,VCSIIXQMCJZRHN-UHFFFAOYSA-N,3,1,0.364,42,171,464.439,4.651,6,0.375,0.64,1.0,0.3579346857651977,0.4957936399150161,0.8482626276471797,0.8713162223288329,0.6433267939140566
EOS-3-43043,Fc1cc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)ccc1-c1cnco1,XSIJBFCCLPTPLE-UHFFFAOYSA-N,3,1,0.351,69,484,440.463,5.376,6,0.366,0.76,1.0,0.39438695086011927,0.47297991912822973,0.7887396340209718,0.7856641080117881,0.6104426530052772
EOS-3-43044,Cc1ncc(-c2ccc(-c3nnc4cncc(COc5ccncc5)n34)c(C)c2)s1,FCJRGIPPLQCWMC-UHFFFAOYSA-N,3,1,0.378,14,351,414.494,4.506,5,0.421,0.75,1.0,0.22060688095401274,0.21784833116304572,0.46119183058049484,0.3565297100952642,0.3140441881982044
EOS-3-43045,FC(F)(F)c1nnc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)ccn2)s1,DWGIPMRVTWFXRU-UHFFFAOYSA-N,3,1,0.634,75,241,475.481,4.407,5,0.359,0.76,0.987,0.747010143238983,0.7634586388869852,0.5062795558906175,0.38557158522376805,0.6005799808100885
EOS-3-43046,CC1COC(=O)N1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)nn1,ANENSMFHFAKWBE-UHFFFAOYSA-N,3,1,0.286,66,546,471.359,2.038,5,0.436,0.56,0.999,0.19869268727297648,0.1768984305393736,0.12374066205194983,0.0868086491672949,0.1465351072578987
EOS-3-43047,Cc1nc(-c2nnc3cncc(OCCc4sncc4Cl)n23)ccc1-c1ccnn1C,GLASOYHLNIWOJX-UHFFFAOYSA-N,3,1,0.483,31,773,452.931,3.627,5,0.388,0.58,1.0,0.4007264752244534,0.419976355287506,0.1069323555616476,0.1339181687341512,0.26538833870193956
EOS-3-43049,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cncn6C)cc5)n34)nn2)n(C)n1,STGNDIASBYCKFK-UHFFFAOYSA-N,3,1,0.359,67,622,464.493,3.483,6,0.381,0.59,1.0,0.33210540744294426,0.18529401685970803,0.22712631073949696,0.1556267562195874,0.22503812281543417
EOS-3-43050,Fc1cc(F)cc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)c1,KBPDYNUNEQAIAO-UHFFFAOYSA-N,3,1,0.59,84,884,464.863,4.801,5,0.336,0.72,1.0,0.842043040230279,0.9122061544787883,0.9171064354739222,0.9298111849770406,0.9002917037900076
EOS-3-43051,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)c(F)cc5F)n34)c2)o1,OVSZRATXBUZKQA-UHFFFAOYSA-N,3,1,0.464,84,503,452.396,4.189,5,0.357,0.63,1.0,0.7818175587691042,0.584435610993078,0.8561013638544308,0.8036632170516071,0.756504437667055
EOS-3-43052,Fc1c(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)ccnc1Cl,BEUUVHPPIZZRBP-UHFFFAOYSA-N,3,1,0.484,87,35,448.849,3.452,5,0.364,0.57,1.0,0.7557741073264341,0.8057107120827908,0.6175382084846823,0.637250702487835,0.7040684325954356
EOS-3-43053,Cc1nn(C)cc1-c1cccc(-c2nnc3cncc(OCCc4ncccn4)n23)c1,PWCCQPQUOBAAQQ-UHFFFAOYSA-N,3,1,0.519,15,438,412.457,2.912,5,0.423,0.69,1.0,0.33919025426632854,0.18114762524844083,0.14728257144815296,0.10471352203413063,0.19308349324926324
EOS-3-43054,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)cn5)n34)cc2)nc1,XPNZPOIVIKPLHN-UHFFFAOYSA-N,3,1,0.338,69,818,433.5,5.039,6,0.387,0.71,1.0,0.08360461928586115,0.12365499280378316,0.6145226509492153,0.6281954629566171,0.3624944314988692
EOS-3-43055,Fc1cc(Cl)cc(OCc2cncc3nnc(-c4cccc(-c5ccncc5F)c4)n23)c1,WXVHNIOWJJSQCW-UHFFFAOYSA-N,3,1,0.406,57,189,449.848,5.364,5,0.361,0.77,1.0,0.6206651360427661,0.7721969021999863,0.9634449318072784,0.9717462819546295,0.832013313001165
EOS-3-43056,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3noc(-c4cnccn4)n3)n12,QCYKUDZBWAMQKB-UHFFFAOYSA-N,3,1,0.419,80,147,473.453,3.473,6,0.354,0.68,1.0,0.5327513535741211,0.5844441779178946,0.1565605510246042,0.1768898636145569,0.3626614865327942
EOS-3-43057,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1nccs1,WVVZCTLSQFKZEI-UHFFFAOYSA-N,3,1,0.438,49,501,466.914,3.383,5,0.356,0.62,0.959,0.5403930505105887,0.527491261736687,0.08010074703584401,0.07988657391542732,0.30696790829963677
EOS-3-43058,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)cc1,ABPADISYNOJBSC-UHFFFAOYSA-N,3,1,0.302,32,543,465.427,4.046,6,0.359,0.61,0.924,0.24809814269069974,0.33901034884517856,0.6056301829895141,0.697724624768693,0.4726158248235213
EOS-3-43059,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)c1,RWGYRFBIBGHOFT-UHFFFAOYSA-N,3,1,0.495,59,521,450.424,4.671,5,0.352,0.68,0.996,0.6650589404427387,0.6511890891645535,0.9237800699061065,0.8964687135905696,0.7841242032759921
EOS-3-43060,Clc1ccccc1-c1ncnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)n1,BSALIANAETURDI-UHFFFAOYSA-N,3,1,0.377,30,757,462.904,5.026,6,0.362,0.71,0.999,0.20702830511959427,0.36308340758001506,0.4955794667945994,0.6460575011993694,0.42793717017339455
EOS-3-43061,Cc1ccc(-c2ncc(-c3cncc4nnc(-c5ncccc5-c5ccccc5)n34)nn2)cc1C,SXRGAKREUABKMX-UHFFFAOYSA-N,3,1,0.286,30,371,456.513,4.989,6,0.369,0.67,1.0,0.08361318621067781,0.048848605304639844,0.40340792269207043,0.43609074086765814,0.24299011376876156
EOS-3-43062,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)ccn2)nc1,HMKFWJKHMQZTQP-UHFFFAOYSA-N,3,1,0.471,73,775,452.812,3.549,5,0.373,0.57,1.0,0.8668357206497156,0.8356521143170448,0.6938352409019258,0.7117401137687616,0.7770157974093619
EOS-3-43063,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nc2)n(C)n1,HNEZIPQFRDVPOU-UHFFFAOYSA-N,3,1,0.471,13,706,452.305,4.994,5,0.382,0.74,1.0,0.4343173874306079,0.709589815639778,0.7068998012473443,0.730270372147214,0.645269344116236
EOS-3-43064,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(C6CCC6)o5)n34)cn2)c(F)c1,JTILTYKNQGGYAG-UHFFFAOYSA-N,3,1,0.317,96,140,430.418,5.054,6,0.397,0.74,0.752,0.37852100609965045,0.5182646837091358,0.42521074635049005,0.660124391748338,0.49553020697690353
EOS-3-43065,Fc1c(Cl)cccc1-n1cnc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)n1,FGEULAGIJUCIRL-UHFFFAOYSA-N,3,1,0.247,10,871,471.847,3.079,6,0.381,0.56,0.0,0.035013021725721336,0.14883318483996985,0.27002090329655265,0.4106384072373381,0.21612637927489547
EOS-3-43066,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)c(F)c1,NKJMZBAHKOMJFD-UHFFFAOYSA-N,3,1,0.488,57,145,435.821,5.577,5,0.369,0.8,1.0,0.9039219381810705,0.9288602563223906,0.9630508532657117,0.9717548488794462,0.9418969741621547
EOS-3-43067,Clc1cncc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccnnc6)cc5)n34)s2)c1,HXGMCNBJMFPWNQ-UHFFFAOYSA-N,3,1,0.305,3,63,469.921,4.482,6,0.372,0.67,1.0,0.14020629154958536,0.30991707216777464,0.3888869851278185,0.5182132821602358,0.3393059077513536
EOS-3-43068,Cc1nc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)ccc2F)nn1C,MBXRKIKPKYYDGC-UHFFFAOYSA-N,3,1,0.325,38,193,468.521,4.825,6,0.369,0.71,1.0,0.2179597011856624,0.29973099856075663,0.2592951134260846,0.3310174079912275,0.27700080529093274
EOS-3-43069,Cc1nc(-c2cc(COc3cncc4nnc(-c5ncc(F)cn5)n34)n(C)n2)n(C)n1,SSOCIKXJPRWCMC-UHFFFAOYSA-N,3,1,0.372,92,105,421.4,1.137,5,0.41,0.57,0.974,0.29102700294702216,0.25348673840038377,0.00727331916935097,0.004077856212733877,0.13896622918237267
EOS-3-43070,Cc1nsc(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)c2)n1,UNOOEYURKNVYLB-UHFFFAOYSA-N,3,1,0.357,30,553,448.515,4.742,6,0.384,0.69,1.0,0.06185319717634158,0.10784044959221438,0.23792920293331507,0.2757093413748201,0.1708330477691728
EOS-3-43071,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc(C(F)(F)F)c1,AJTJUAWDWDOCIE-UHFFFAOYSA-N,3,1,0.764,23,240,454.786,5.363,4,0.381,0.71,1.0,0.9990148036460832,0.9960335138098828,0.9992546775409499,0.9994345829621,0.998434394489754
EOS-3-43072,Cn1nc(-c2nc(Cl)ccc2Cl)nc1-c1cncc2nnc(-c3cccc(F)c3F)n12,BLMUYFLPOODVOM-UHFFFAOYSA-N,3,1,0.333,22,844,459.247,4.234,5,0.376,0.6,0.997,0.16255739839627167,0.38243609074086765,0.5506562264409568,0.7739274210129532,0.46739428414776235
EOS-3-43073,Cc1nnc(-c2cccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)s1,GIISTGQOGKHORR-UHFFFAOYSA-N,3,1,0.62,43,15,420.885,5.064,5,0.404,0.76,1.0,0.4870725104516483,0.685139812213008,0.49558803371941607,0.5864659721746281,0.5635665821396751
EOS-3-43074,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccccc6)nn5)n34)s2)n(C)n1,XRYCWQXUBHLTOO-UHFFFAOYSA-N,3,1,0.576,6,104,469.534,3.721,6,0.366,0.66,0.997,0.04089849907477212,0.052480981426907,0.09927352477554657,0.08681721609211157,0.06986755534233431
EOS-3-43075,Cc1cc(Cl)ncc1-c1nnc2cncc(-c3ccc(-c4cc(F)cnc4F)cc3)n12,ZCJLKTUQBJFLJG-UHFFFAOYSA-N,3,1,0.313,96,558,434.837,5.155,5,0.367,0.74,1.0,0.4007350421492701,0.5691093824960592,0.9336148995956411,0.9467137276403262,0.7125432629703241
EOS-3-43076,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)nc1,WBBQUTXVYNELLR-UHFFFAOYSA-N,3,1,0.282,76,902,459.495,4.029,6,0.389,0.6,0.996,0.13506613665958467,0.2382633130011651,0.14729113837296964,0.22249160441367966,0.18577804811184975
EOS-3-43077,COc1nc(C(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4(F)CC4)c(C)c3)n12,PSSIAKUYDKXHGH-UHFFFAOYSA-N,3,1,0.323,0,688,468.439,4.297,5,0.424,0.58,1.0,0.430059625796724,0.3963230758686862,0.5740096634911932,0.4979011034199164,0.4745733671441299
EOS-3-43078,Fc1ccccc1-n1cnc(-c2cncc3nnc(-c4nccnc4-c4cccc(Cl)c4)n23)c1,QKWKYACSTCITFV-UHFFFAOYSA-N,3,1,0.303,64,144,468.883,4.894,6,0.366,0.72,0.965,0.04987663628263998,0.18530258378452472,0.6666609553834556,0.7971780549653896,0.4247545576040025
EOS-3-43079,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cc(Cl)ncn5)cn4)n23)ccc1Cl,PYRCHJJZNROJNM-UHFFFAOYSA-N,3,1,0.457,7,212,465.304,4.233,5,0.355,0.66,1.0,0.6679459941059557,0.8391559865670619,0.6234408196833665,0.6631228154341717,0.6984164039476389
EOS-3-43080,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)nc1,QQRGFDNROVFIEI-UHFFFAOYSA-N,3,1,0.483,73,775,452.812,3.549,5,0.373,0.55,1.0,0.8850404358851347,0.7972123226646562,0.6856966623260914,0.6977331916935097,0.7664206531423481
EOS-3-43081,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)c4)n23)ccc1F,DEWDMZHVNGCBTR-UHFFFAOYSA-N,3,1,0.511,37,325,472.871,3.929,5,0.365,0.63,1.0,0.9663748200945789,0.9651240490713453,0.6615893358919882,0.6717668425741896,0.8162137619080254
EOS-3-43082,Fc1ncccc1-c1ncccc1COc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,PKNMAMWRFGCSQF-UHFFFAOYSA-N,3,1,0.449,27,430,449.396,4.299,5,0.357,0.65,0.999,0.8812709889658008,0.8758652594064834,0.8561099307792475,0.7879257761633884,0.8502929888287301
EOS-3-43083,Clc1ccc(-c2nccnc2-c2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)nn1,SIZZDDKRQLJSCY-UHFFFAOYSA-N,3,1,0.309,38,787,452.869,3.749,6,0.429,0.49,0.998,0.25858405866630113,0.3339644301281612,0.31430333767390856,0.41698649852648895,0.33095958124871494
EOS-3-43084,C#Cc1cnc(COc2cncc3nnc(-c4cnnc(-c5cccc(F)c5)c4)n23)cn1,QBWOVXCAXUQOKN-UHFFFAOYSA-N,3,1,0.473,4,677,424.399,2.738,5,0.397,0.53,1.0,0.530275512302104,0.5893530258378452,0.5236104447947365,0.5114368446302515,0.5386689568912343
EOS-3-43085,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)c2)s1,QBHALZJDOAEIIL-UHFFFAOYSA-N,3,1,0.467,72,628,453.89,4.385,5,0.364,0.66,1.0,0.7134706325817285,0.7233568638201631,0.5506647933657735,0.5769909533273936,0.6411208107737647
EOS-3-43086,OCc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C(F)F)n5)n34)c2)s1,SESQTJFPHQHELZ-UHFFFAOYSA-N,3,1,0.484,27,655,467.461,3.714,5,0.386,0.67,1.0,0.5171338496333356,0.5137584812555686,0.45434685765197724,0.3533428140634638,0.45964550065108634
EOS-3-43087,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5sccc5C)n34)c2)ns1,KSXLJYDPSUSUNB-UHFFFAOYSA-N,3,1,0.518,15,921,420.523,4.567,5,0.415,0.72,1.0,0.3171475567130423,0.33397299705297784,0.16302001233637173,0.13392673565896784,0.23701682544033992
EOS-3-43088,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)c(Cl)n4)n23)n1,CFZOEPJOSKXBFD-UHFFFAOYSA-N,3,1,0.436,11,848,446.873,4.662,5,0.353,0.69,1.0,0.7984716606127065,0.8250291275443766,0.6693081351518059,0.7409618943184154,0.758442704406826
EOS-3-43089,Cc1cnc(Cl)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)nc2)c1,YQKNANNICSTMGO-UHFFFAOYSA-N,3,1,0.333,82,204,482.935,4.164,6,0.374,0.78,1.0,0.2315297100952642,0.21785689808786238,0.22345109999314647,0.31228154341717496,0.246279812898362
EOS-3-43090,Cc1ncc(CCOc2cncc3nnc(-c4cccc(-c5nccn5C)c4)n23)cn1,XUAJLTXCGFVDDB-UHFFFAOYSA-N,3,1,0.584,15,921,412.457,2.912,5,0.423,0.7,1.0,0.5352700294702214,0.27403022411075323,0.19219039133712562,0.12941196628058393,0.28272565279967105
EOS-3-43091,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccnn5C)n34)cnc2Cl)c1,PUEVCWKSSZQHQP-UHFFFAOYSA-N,3,1,0.44,87,349,446.902,3.565,5,0.368,0.61,1.0,0.4116236035912549,0.523053594681653,0.3216708930162429,0.3093173874306079,0.39141636967993965
EOS-3-43092,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncncn5)c(Cl)c4)n23)cnc1Cl,OROXRJYMVRYCCZ-UHFFFAOYSA-N,3,1,0.518,16,772,469.267,4.063,5,0.355,0.63,1.0,0.9582705092180112,0.910150092522788,0.8119902679734082,0.8365516414227949,0.8792406277842506
EOS-3-43093,CCn1nc(C)cc1-c1ccc(-c2nnc3cncc(OCc4ccns4)n23)cn1,CVBHQNRDZHUMSM-UHFFFAOYSA-N,3,1,0.494,92,283,418.486,3.414,5,0.417,0.64,1.0,0.23153827702008087,0.18115619217325749,0.0612620793639915,0.0439911589335892,0.12948692687272975
EOS-3-43094,Cn1ccnc1-c1cccc(COc2cncc3nnc(-c4cc(-c5cccnn5)ncn4)n23)c1,QHCXXKQBVBJVBP-UHFFFAOYSA-N,3,1,0.39,6,826,462.477,3.018,6,0.367,0.55,1.0,0.38538311287780136,0.13051709958193408,0.23793776985813173,0.19896682886710987,0.23820120279624424
EOS-3-43095,Cc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc(-c2ccnc(CF)c2)n1,JMZSTVUWXIYQHX-UHFFFAOYSA-N,3,1,0.49,11,661,459.46,4.182,5,0.361,0.62,1.0,0.7645894729627852,0.6608525803577547,0.5405386882324721,0.48872592694126515,0.6136766671235693
EOS-3-43096,Fc1cc(Cl)nc(CCOc2cncc3nnc(-c4cnnc(-c5ccccn5)c4)n23)c1,LJMKCZVSFUETHP-UHFFFAOYSA-N,3,1,0.449,58,778,448.849,3.452,5,0.364,0.55,0.714,0.7258412720169968,0.7764889315331369,0.43989445548625866,0.5114454115550682,0.6134175176478651
EOS-3-43097,Cc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,MOKLQOZZTIRCDO-UHFFFAOYSA-N,3,1,0.392,63,5,403.421,2.512,5,0.55,0.9,1.0,0.19585703515865946,0.22821431019121377,0.12122198615584949,0.16625830991707216,0.1778879103556987
EOS-3-43098,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)ccn1,MQOFSRYVAZIFCC-UHFFFAOYSA-N,3,1,0.473,75,779,417.408,2.137,5,0.413,0.58,1.0,0.5508875334110068,0.4379925981769584,0.1294205332054006,0.12077650606538277,0.3097692927146871
EOS-3-43099,Fc1ccc(COc2ncccc2-c2cncc3nnc(-c4cnccc4Cl)n23)cn1,YKPDLHWKFKWYEP-UHFFFAOYSA-N,3,1,0.368,97,478,433.834,4.015,5,0.386,0.57,0.999,0.5327599204989377,0.6265934480159002,0.7328832842162977,0.7383404153245151,0.6576442670139128
EOS-3-43100,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4C)n23)n1,WPVHSYGCMLHFSS-UHFFFAOYSA-N,3,1,0.472,7,464,416.47,3.296,5,0.43,0.68,1.0,0.30417723254060725,0.294847851415256,0.04314303337673909,0.026677403879103556,0.16721138030292648
EOS-3-43101,CCc1nnccc1COc1cncc2nnc(-c3cc(-c4ccncc4)ccn3)n12,MZPADSLQKFIAQW-UHFFFAOYSA-N,3,1,0.38,18,160,410.441,3.18,5,0.42,0.79,1.0,0.24810670961551642,0.11378589541498184,0.20611164416421082,0.19089678568980878,0.18972525872112944
EOS-3-43102,Clc1cncc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)cnn2)c1,LMJQUIZQEPNTJX-UHFFFAOYSA-N,3,1,0.478,65,778,436.888,3.375,5,0.399,0.56,1.0,0.6235264889315332,0.6655986567061888,0.2664827633472689,0.3501987526557467,0.47645166541018436
EOS-3-43103,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ncnc(Cl)n4)nc3)n12,SMDFNMCWMFFHQR-UHFFFAOYSA-N,3,1,0.43,55,930,470.255,3.458,5,0.356,0.62,1.0,0.8690288534027826,0.872883969570283,0.5705743266397094,0.6139572339113152,0.7316110958810226
EOS-3-43104,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)[nH]c4F)n23)n(C)n1,FDVVMTLCNXAEGW-UHFFFAOYSA-N,3,1,0.419,4,662,422.399,3.081,5,0.437,0.58,0.962,0.25077959015831675,0.3099256390925913,0.5405472551572887,0.482617709546981,0.39596754848879445
EOS-3-43105,N#Cc1cc(F)cnc1-c1cncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1,TWQSAHURIMAAEN-UHFFFAOYSA-N,3,1,0.635,84,360,473.418,4.159,5,0.365,0.69,1.0,0.9528048111849771,0.9365105201836749,0.931995750805291,0.9226235350558564,0.9359836543074498
EOS-3-43106,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)n(C)c1Cl,TVGIUSZKECCCLD-UHFFFAOYSA-N,3,1,0.538,58,578,464.892,3.704,5,0.353,0.65,1.0,0.7407477211979988,0.7722054691248029,0.3362774998286615,0.3565382770200809,0.551442241792886
EOS-3-43107,CCn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cnn1,VZRXYEYGYJBMST-UHFFFAOYSA-N,3,1,0.454,65,65,447.89,3.135,5,0.35,0.58,1.0,0.45091152080049346,0.4334949626482078,0.17270920430402303,0.19366390240559248,0.3126948975395792
EOS-3-43108,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cnccn6)n5)n34)cc2)n(C)n1,OVAGHPSDBGVEGI-UHFFFAOYSA-N,3,1,0.484,56,8,477.492,2.721,6,0.352,0.62,1.0,0.3244294428072099,0.1986327187992598,0.06127064628880817,0.04270612021108903,0.1567597320265917
EOS-3-43109,Fc1cc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cn5)n34)n2)ccn1,ICFHXPQAPAMQJM-UHFFFAOYSA-N,3,1,0.253,10,871,471.847,3.079,6,0.356,0.58,0.687,0.025332396682886713,0.13392673565896784,0.29963676238777326,0.38558015214858476,0.21111901171955316
EOS-3-43110,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)ccn2)cn1,HJIZMYVVMRWOFG-UHFFFAOYSA-N,3,1,0.457,75,530,463.864,3.156,5,0.35,0.59,1.0,0.7438660818312659,0.7326776780206977,0.23085292303474744,0.25179905421150023,0.4897989342745528
EOS-3-43111,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(C)(F)CO)nc5)n34)c(F)c2)n1,KFTRQUXSEWTJNS-UHFFFAOYSA-N,3,1,0.356,96,204,458.472,4.54,5,0.416,0.65,0.767,0.3693886642450826,0.5738468919196765,0.9237886368309232,0.8479199506545131,0.6787360359125488
EOS-3-43112,COc1nc(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)ccc1-c1cncn1C,NHHAXBYYUQHEBE-UHFFFAOYSA-N,3,1,0.4,49,223,450.409,2.848,5,0.364,0.55,0.851,0.5482232197930231,0.4108183126584881,0.4784370502364471,0.3469947227743129,0.4461183263655678
EOS-3-43113,c1nc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc(-c2cnco2)n1,DSEBZXJZQFOUQE-UHFFFAOYSA-N,3,1,0.364,80,584,440.387,1.39,6,0.395,0.5,1.0,0.4436981701048592,0.35856863820163115,0.027542663285587007,0.01861592762661915,0.2121063498046741
EOS-3-43114,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ncn2)nn1,DXGNBJGVJHZXRL-UHFFFAOYSA-N,3,1,0.448,31,194,411.429,2.363,5,0.415,0.73,1.0,0.5404016174354054,0.1986412857240765,0.13229045301898432,0.10687238708793091,0.24455143581659927
EOS-3-43115,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cscn5)c4)n23)cc1,BIHDLNCQBQQNPH-UHFFFAOYSA-N,3,1,0.595,1,230,417.469,4.941,5,0.405,0.79,1.0,0.9265214858474402,0.8288328421629771,0.832062572818861,0.794976355287506,0.845598314029196
EOS-3-43116,FC(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(Cl)c5)n4)n23)cc1,XAWMDIWGFZBKEH-UHFFFAOYSA-N,3,1,0.462,27,343,465.851,4.813,5,0.332,0.74,1.0,0.8490336508806798,0.8586200397505311,0.9066376533479542,0.8921852511822356,0.8766191487903502
EOS-3-43117,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6nccnn6)n5)n34)cc2)nc1,SKLRRVXXSVIYBY-UHFFFAOYSA-N,3,1,0.456,80,8,479.439,2.608,6,0.348,0.63,1.0,0.6982386402576931,0.6221900486601329,0.18225275854979098,0.18534541840860805,0.4220067164690563
EOS-3-43118,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)cc1,WSZAJXIPODHAOG-UHFFFAOYSA-N,3,1,0.322,93,651,441.498,5.286,6,0.37,0.74,1.0,0.15962751010897128,0.13393530258378453,0.7119714207388116,0.7059060379686107,0.4278600678500445
EOS-3-43119,Cc1nc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c(-c2ccccc2)[nH]1,BNHYOXWRJAUIBC-UHFFFAOYSA-N,3,1,0.346,93,641,464.92,5.267,6,0.382,0.8,1.0,0.2344852991570146,0.24863785895414983,0.5540744294428072,0.6282040298814338,0.41635040435885134
EOS-3-43120,Clc1cccc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ccccn5)c4)n23)n1,AWVGWMPJBLDHSQ-UHFFFAOYSA-N,3,1,0.516,58,747,464.316,4.572,5,0.34,0.69,0.976,0.7702350764169693,0.8133781097937085,0.5437255842642725,0.6372592694126517,0.6911495099719005
EOS-3-43121,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4cc(-c5nncn5C)n(C)n4)n23)cn1,QLRGBBTZQRPDRV-UHFFFAOYSA-N,3,1,0.368,99,502,455.446,1.303,6,0.373,0.57,1.0,0.1931327530669591,0.1527568364060037,0.012490576382701665,0.0065279967103008705,0.09122704064149133
EOS-3-43122,Cc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,YDHSBMQGOUFLBE-UHFFFAOYSA-N,3,1,0.518,20,320,413.445,2.307,5,0.417,0.67,1.0,0.49698444246453294,0.2740387910355699,0.07797614968131039,0.056053389075457476,0.22626319306421766
EOS-3-43123,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(C)n4)n23)cc(-c2ccccc2F)n1,HVTAPJWOMADUAL-UHFFFAOYSA-N,3,1,0.495,11,275,458.472,4.765,5,0.365,0.71,1.0,0.832422383661161,0.7764974984579536,0.706908368172161,0.6688198204372559,0.7461620176821329
EOS-3-43124,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)n[nH]4)n23)c1,VMUHGCZHZYVQID-UHFFFAOYSA-N,3,1,0.443,87,963,420.383,2.871,5,0.421,0.61,0.972,0.535278596395038,0.4155215543828387,0.5473151257624563,0.5610993077924749,0.514803646083202
EOS-3-43125,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)nc2)cc1,FSJOARGEHGUMRM-UHFFFAOYSA-N,3,1,0.347,93,651,415.46,4.91,6,0.442,0.79,1.0,0.11031629086423138,0.10110684668631348,0.6804280035638407,0.7088958947296279,0.40018675896100336
EOS-3-43126,Cc1ccc(-c2nnc3cncc(-c4nc(-c5nc(OC(F)F)ccc5Cl)cn4C)n23)cn1,SLHUXIMHYJRXQK-UHFFFAOYSA-N,3,1,0.348,50,243,468.855,4.212,5,0.381,0.65,0.572,0.4944057980947159,0.5791840860804606,0.6204937975464327,0.6139658008361318,0.5770123706394353
EOS-3-43127,Cc1ccc(F)c(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)c1,KCSJSQDTHDZEEM-UHFFFAOYSA-N,3,1,0.253,76,176,456.466,4.474,6,0.382,0.63,0.522,0.3093430882050579,0.3681036255225824,0.30334624083339046,0.3695771365910493,0.33759252278802
EOS-3-43128,OCc1nnc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)s1,WLQAXRVRTRWEMB-UHFFFAOYSA-N,3,1,0.429,13,995,455.862,3.782,5,0.426,0.62,0.996,0.5171424165581523,0.6410372832568021,0.47844561716126377,0.5707627989856761,0.5518470289904736
EOS-3-43129,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5nccc(C)c5F)n34)c(F)c2)s1,DFACWESLNNANRU-UHFFFAOYSA-N,3,1,0.407,13,706,437.435,4.392,5,0.412,0.6,1.0,0.6040453018984305,0.6608611472825714,0.48556473168391473,0.4360993077924748,0.5466426221643479
EOS-3-43130,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1cnc(C)o1,MTWFUZIYOAMBLI-UHFFFAOYSA-N,3,1,0.452,4,690,447.886,4.34,5,0.378,0.61,0.997,0.4207473785210061,0.5182732506339525,0.2851329586731547,0.2669882119114523,0.3727854499348914
EOS-3-43131,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cnc(C)o5)ncc4Cl)n23)cc1,JLYQQFVQAXLKHX-UHFFFAOYSA-N,3,1,0.375,14,357,416.872,4.702,5,0.422,0.73,1.0,0.3986104447947365,0.44215612363785894,0.6234493866081832,0.6108217394284148,0.5187594236172983
EOS-3-43132,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)cc1F,OOZCTRDFEXOMDC-UHFFFAOYSA-N,3,1,0.351,50,261,408.788,2.231,5,0.446,0.76,1.0,0.22337399766979646,0.41998492221232264,0.15656911794942088,0.2964755671304229,0.2741009012404907
EOS-3-43133,Cc1nn(C)c(C)c1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(F)c1,JDTNIZIBKMDCJN-UHFFFAOYSA-N,3,1,0.477,36,208,464.892,3.97,5,0.388,0.61,1.0,0.5145380714138853,0.612980604482215,0.39245082585155233,0.3793605647316839,0.47483251661983406
EOS-3-43134,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cs2)ncc1F,HCUWYWGVMILFBP-UHFFFAOYSA-N,3,1,0.43,55,565,453.89,4.385,5,0.364,0.69,1.0,0.7134791995065451,0.6511976560893702,0.502732849016517,0.5114539784798848,0.5947159207730792
EOS-3-43135,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)c(Cl)c1,DUUWTAMAGVZBBT-UHFFFAOYSA-N,3,1,0.314,3,783,468.883,4.894,6,0.366,0.69,1.0,0.03957062572818861,0.23308889041189776,0.7568706737029676,0.8425142210951957,0.4680111027345624
EOS-3-43136,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,XDWKUNVOBRVVTM-UHFFFAOYSA-N,3,1,0.416,18,720,411.429,2.363,5,0.415,0.7,1.0,0.4509200877253101,0.2534953053252005,0.10966520457816462,0.08325337536837776,0.22433349324926324
EOS-3-43137,Fc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)c(Cl)c5)c4)n23)c1,AEOIIOUZJGHCBC-UHFFFAOYSA-N,3,1,0.684,88,485,463.875,5.406,5,0.337,0.83,1.0,0.9840398190665479,0.9688420944417792,0.9544496607497772,0.9633678294839284,0.9676748509355082
EOS-3-43138,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccnc(Cl)c4)n23)cc1,CHSNTGOMWRDJON-UHFFFAOYSA-N,3,1,0.313,98,63,466.896,3.759,6,0.361,0.61,1.0,0.1297375094236173,0.16032143101912139,0.40341648961688714,0.467557055719279,0.29025812144472624
EOS-3-43140,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)nc4)n23)ccc1Cl,WIPNISSWTRALQE-UHFFFAOYSA-N,3,1,0.394,45,533,419.822,5.452,5,0.39,0.85,1.0,0.44619971215132614,0.797220889589473,0.9722774312932629,0.984682338427798,0.8000950928654651
EOS-3-43141,Fc1ccc(Cc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)cc1Cl,DPQYGEXIUIUANT-UHFFFAOYSA-N,3,1,0.376,14,884,451.292,5.285,5,0.348,0.77,1.0,0.36698135837159895,0.5182818175587691,0.952290795695977,0.971763415804263,0.7023293468576519
EOS-3-43142,Cc1cnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)n(C)n2)nn1,AAFWBRZOGGNKND-UHFFFAOYSA-N,3,1,0.35,80,502,454.414,1.923,6,0.373,0.55,0.991,0.3120074018230416,0.19864985264889315,0.01861592762661915,0.010263175930368035,0.1348840895072305
EOS-3-43143,FC(F)(F)c1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cn1,QKSFLLKTLMOTBA-UHFFFAOYSA-N,3,1,0.456,27,395,456.413,3.698,5,0.394,0.57,0.987,0.6291463916112672,0.5459015831677061,0.8035689808786238,0.6401805907751353,0.6546993866081832
EOS-3-43144,CCc1ncc(-c2nnc3cncc(Oc4ccc(-c5cccn5C)cn4)n23)cc1F,ZVCNHVBDSFXVMK-UHFFFAOYSA-N,3,1,0.364,87,412,415.432,4.081,5,0.43,0.73,1.0,0.5482317867178398,0.5791926530052772,0.5236190117195532,0.429751216503324,0.5201986669864985
EOS-3-43145,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)cc(F)c1Cl,SETKUHSQBLQYGB-UHFFFAOYSA-N,3,1,0.562,84,360,465.851,4.196,5,0.347,0.64,1.0,0.8975310122678364,0.8728925364950997,0.8798917140703173,0.879720375573984,0.8825089096018093
EOS-3-43146,Fc1cc(-c2cncnn2)ncc1-c1cncc2nnc(-c3ccc(C(F)F)cc3Cl)n12,BTCBGIYZMHEHSW-UHFFFAOYSA-N,3,1,0.317,22,844,454.803,4.435,5,0.396,0.55,1.0,0.3900435199780687,0.5893615927626619,0.9427044068261257,0.9515540401617435,0.71841588993215
EOS-3-43147,Fc1cc(-c2ncn[nH]2)ccc1-c1nnc2cncc(OCCc3c(Cl)cccc3Cl)n12,ZKMFNXBJQTVHLS-UHFFFAOYSA-N,3,1,0.565,88,803,470.295,4.644,5,0.389,0.68,1.0,0.9292457679391406,0.9235401960112398,0.8706565691179494,0.911854910561305,0.9088243609074087
EOS-3-43148,CCc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NCCO)cc4)n23)cc1F,VNBBPJSYBIPXNC-UHFFFAOYSA-N,3,1,0.364,0,999,406.421,2.277,4,0.509,0.84,1.0,0.242572476183949,0.15276540333082037,0.38522890823110134,0.26967822630388594,0.2625612535124392
EOS-3-43149,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cncc(C#N)c5)ncn4)n23)c1Cl,MDSMROMPFMTNBE-UHFFFAOYSA-N,3,1,0.373,46,395,455.869,3.451,5,0.391,0.55,0.989,0.6235350558563498,0.5792012199300939,0.6085429374271811,0.5926427249674456,0.6009804845452676
EOS-3-43150,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)cc(F)n2)cn1,JJOGEARLWYIGLB-UHFFFAOYSA-N,3,1,0.477,55,441,420.433,3.126,5,0.4,0.61,1.0,0.6068124186142142,0.5602083476115414,0.28514152559797135,0.24312075937221575,0.4238207627989857
EOS-3-43151,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cc(F)c(Cl)cc4F)n23)s1,KHDQBVVLVBKIDJ-UHFFFAOYSA-N,3,1,0.338,22,140,428.855,4.852,5,0.385,0.7,0.998,0.22905386882324721,0.43800116510177506,0.8733465835103831,0.9014289630594202,0.6104576451237064
EOS-3-43152,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(F)ncc5Cl)cc4)n23)cc1,SWYKATSMVKUASO-UHFFFAOYSA-N,3,1,0.667,57,326,449.848,5.364,5,0.338,0.84,1.0,0.9898481940922487,0.9788311287780138,0.9711294633678295,0.9754814611746967,0.9788225618531972
EOS-3-43153,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccc(C)nn5)c4)n23)cc1,HHHVTINXBBVYMX-UHFFFAOYSA-N,3,1,0.58,72,226,410.441,3.234,5,0.435,0.74,1.0,0.5866715783702282,0.4380097320265917,0.2961157562881228,0.24005380028784867,0.39021271674319785
EOS-3-43154,Cn1nc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)cc1-c1ccc(F)nc1,XKAHQFRCJMSURH-UHFFFAOYSA-N,3,1,0.411,95,694,437.826,2.748,5,0.305,0.71,0.969,0.33694571996436157,0.39633164279350286,0.32896991296004385,0.3437392913439792,0.35149664176547185
EOS-3-43155,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nsc6cncnc56)cc4)n23)n1,PIUZJIHECAXCNF-UHFFFAOYSA-N,3,1,0.48,11,848,470.493,4.014,6,0.336,0.7,1.0,0.8324309505859776,0.8391645534918786,0.32167945994105956,0.37605373175245016,0.5923321739428415
EOS-3-43156,Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)ccc1F,PYANCNBCRFXYRO-UHFFFAOYSA-N,3,1,0.42,11,503,460.9,4.971,5,0.333,0.78,1.0,0.7528013844150504,0.7551915564389007,0.7868292097868549,0.8036717839764238,0.7746234836543074
EOS-3-43157,Cn1c(F)c(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cc2F)oc1=O,BGGMRVSFWFLXRN-UHFFFAOYSA-N,3,1,0.301,10,620,473.403,2.671,6,0.383,0.65,0.996,0.22627818518264683,0.36811219244739907,0.3888955520526352,0.4169950654513056,0.3500702487834967
EOS-3-43158,COc1cnc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,NUIXWPMMWIEPTC-UHFFFAOYSA-N,3,1,0.469,35,76,461.432,3.552,5,0.339,0.62,1.0,0.8867795216229183,0.8525203892810637,0.6966880268658763,0.5835360838873278,0.7548810054142965
EOS-3-43159,Cc1nnc(-c2ncnc(C)c2-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)o1,ZDIUUSDDVJMMCP-UHFFFAOYSA-N,3,1,0.292,99,312,439.403,1.286,6,0.387,0.53,0.999,3.4267699266671235e-05,0.005114454115550682,0.005619902679734083,0.003632376122267151,0.0036002501542046466
EOS-3-43160,CCn1cc(-c2cc(COc3cncc4nnc(-c5cccnc5)n34)ncn2)c(C)n1,IEJNXMCZNNQLNJ-UHFFFAOYSA-N,3,1,0.447,92,986,413.445,2.747,5,0.418,0.67,1.0,0.18758995271057502,0.16032999794393804,0.08735693235556165,0.054614145706257285,0.122472757179083
EOS-3-43161,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)s1,JWLYLFOLJVXXTO-UHFFFAOYSA-N,3,1,0.39,81,428,468.506,3.377,6,0.39,0.58,1.0,0.504643273250634,0.4686022205469125,0.07138818449729285,0.06868103625522583,0.2783286786375163
EOS-3-43162,Cc1nccc(-c2ccc(-c3cncc4nnc(-c5ocnc5-c5ccc(F)cc5)n34)s2)n1,XSCDHYUKMVAAOY-UHFFFAOYSA-N,3,1,0.342,32,750,455.478,5.079,6,0.366,0.71,0.998,0.2799585360838873,0.39156843259543556,0.42129566170927285,0.4612003975053115,0.3885057569734768
EOS-3-43163,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cs2)n(C)n1,LLQVPTPPQTWAAN-UHFFFAOYSA-N,3,1,0.454,31,602,452.931,3.627,5,0.388,0.62,1.0,0.35310294016859706,0.34411623603591257,0.12942910013021725,0.14071174011376877,0.24184000411212392
EOS-3-43164,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3Cl)n12,VSMIPZBFIJKVDH-UHFFFAOYSA-N,3,1,0.524,58,28,453.89,4.119,5,0.357,0.64,1.0,0.7844904393119047,0.8616441642108149,0.4612003975053115,0.514983551504352,0.6555796381330957
EOS-3-43165,COc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,HIUCBCXZIUMAPF-UHFFFAOYSA-N,3,1,0.554,72,889,415.413,2.866,5,0.396,0.67,1.0,0.6650675073675554,0.3915769995202522,0.3328507299019944,0.20796209992461107,0.3993643341786033
EOS-3-43166,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(Cl)n1,CTDYCXGLDFLAJD-UHFFFAOYSA-N,3,1,0.423,7,94,455.269,2.658,5,0.368,0.55,0.965,0.3808597765746008,0.4643358919882119,0.13229901994380097,0.20206805565074362,0.2948906860393393
EOS-3-43167,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)cnn2)o1,WNPZHBZAQDJSRF-UHFFFAOYSA-N,3,1,0.489,53,778,419.38,2.095,5,0.403,0.59,0.825,0.5750633952436434,0.4421646905626756,0.1182406963196491,0.1317079021314509,0.31679417106435476
EOS-3-43168,Fc1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)cc5)n4)n23)c(-c2ccnnc2)c1,MPVZIOOYFZFLRS-UHFFFAOYSA-N,3,1,0.321,3,783,469.871,4.289,6,0.379,0.6,1.0,0.05657597148927421,0.3390189157699952,0.6883866767185252,0.7926204509629223,0.4691505037351792
EOS-3-43169,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccnc(F)c5)c4)n23)nc(Cl)n1,LFRMBVOZVZZHQI-UHFFFAOYSA-N,3,1,0.483,75,43,448.849,3.718,5,0.296,0.69,1.0,0.6264906449181002,0.6178037831539991,0.5335994791309712,0.5079929408539511,0.5714717120142554
EOS-3-43170,Cc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)c2)c(F)n1,FELJKXGPZFFCFS-UHFFFAOYSA-N,3,1,0.471,72,132,445.433,3.851,5,0.367,0.57,1.0,0.7984802275375231,0.7374066205194983,0.6056387499143308,0.5769995202522102,0.6796312795558905
EOS-3-43171,Fc1cccnc1CCOc1cncc2nnc(-c3ccnc(-c4cccnn4)c3)n12,ZVKOYHSYWPPTJQ-UHFFFAOYSA-N,3,1,0.505,75,699,414.404,2.799,5,0.418,0.65,0.999,0.7043554245767939,0.6559951339867042,0.3104653553560414,0.32146528682064285,0.4980703001850456
EOS-3-43172,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,CFOVGIHTBUVBFL-UHFFFAOYSA-N,3,1,0.506,35,710,449.471,3.474,5,0.348,0.59,1.0,0.6982472071825098,0.6608697142073882,0.3253718045370434,0.2431293262970324,0.4819045130559934
EOS-3-43173,Fc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)cn4)n23)cc1Cl,XJVLLLIYTXYLIF-UHFFFAOYSA-N,3,1,0.593,79,881,447.857,5.35,5,0.349,0.8,1.0,0.8867880885477349,0.9393804399972586,0.9076057158522377,0.9049756699335206,0.909687478582688
EOS-3-43174,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)c(Cl)c2)cs1,IWROFRIOQVKYJM-UHFFFAOYSA-N,3,1,0.524,97,214,440.941,4.912,5,0.386,0.73,1.0,0.5669248166678089,0.6705246384757727,0.4213042286340895,0.45497224316359397,0.5284314817353163
EOS-3-43175,Cc1nc(-c2ncc(F)cn2)cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)n1,RKFAKWLPEUYPMW-UHFFFAOYSA-N,3,1,0.441,18,330,447.409,2.641,5,0.362,0.53,1.0,0.7528099513398671,0.5319203618669043,0.23086148995956413,0.2372781166472483,0.4382174799533959
EOS-3-43177,Cc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c(F)c2)cn1,TYBUHIYIRDZKFH-UHFFFAOYSA-N,3,1,0.506,73,877,465.851,4.462,5,0.378,0.65,1.0,0.8041343979165239,0.9180316633541225,0.8098999383181413,0.8167620450962922,0.83720701117127
EOS-3-43178,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)c2)cn1,RSLIEHDJZXSGHN-UHFFFAOYSA-N,3,1,0.449,36,506,414.473,3.296,5,0.424,0.7,1.0,0.1652645466383387,0.13394386950860118,0.18226132547460763,0.10909122061544788,0.14764024055924885
EOS-3-43179,COc1cc(-c2nnc(C)s2)cc(F)c1-c1nnc2cncc(OCc3ccc(C)nn3)n12,PBCDICZNUXUQFQ-UHFFFAOYSA-N,3,1,0.483,53,534,464.486,3.443,5,0.373,0.58,1.0,0.5534233431567405,0.5319289287917209,0.15657768487423754,0.10053286272359674,0.3356157048865739
EOS-3-43180,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)s4)n23)cc1,YCKIJVGJPSJMFJ-UHFFFAOYSA-N,3,1,0.269,76,543,435.476,3.829,6,0.411,0.56,0.838,0.03655506819272154,0.06016551298745802,0.18878075526009183,0.2787248989102872,0.14105655883763965
EOS-3-43181,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn[nH]c6)cc5)n34)cc2)nc1,YHHTZOZOHLYFEX-UHFFFAOYSA-N,3,1,0.311,69,898,415.46,4.91,6,0.442,0.78,1.0,0.13507470358440135,0.14137139332465218,0.7755380028784867,0.7856726749366048,0.45941419368103625
EOS-3-43182,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cnn2)n(C)n1,VOIZCKNZGTZOBP-UHFFFAOYSA-N,3,1,0.362,33,760,483.496,1.551,6,0.361,0.69,0.671,0.1377732849016517,0.05248954835172367,0.006913508327050922,0.00477177712288397,0.05048702967582756
EOS-3-43183,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ncc(-c5nncs5)cc4F)n23)cn1,UKJGGMVLBBDOFU-UHFFFAOYSA-N,3,1,0.351,99,502,473.457,2.827,6,0.368,0.62,1.0,0.42552772256870675,0.46861078747172913,0.09928209170036324,0.10054142964841341,0.27349050784730317
EOS-3-43184,Cc1cnc(-c2cc(C=O)nc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)nc1,FCSVXTZMHACIST-UHFFFAOYSA-N,3,1,0.58,44,73,455.453,3.525,5,0.343,0.62,1.0,0.5897642382290453,0.37278116647248305,0.36997978205743265,0.32771914193681034,0.4150610821739429
EOS-3-43185,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4ccc(-c5nnco5)cn4)n23)s1,BOOQYCXZZFNSII-UHFFFAOYSA-N,3,1,0.267,76,935,439.464,3.73,6,0.404,0.55,0.998,0.06355801521485847,0.12727880200123365,0.055590775135357415,0.07245905009937632,0.07972166061270647
EOS-3-43186,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)n2)n1C,QGKNGEDYLGDSBM-UHFFFAOYSA-N,3,1,0.361,99,502,481.484,1.455,6,0.34,0.71,1.0,0.26129120690836816,0.1488417517647865,0.00692207525186759,0.003169762182167089,0.10505619902679735
EOS-3-43187,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cnn2)nn1,PYJMOIGEGBUHAO-UHFFFAOYSA-N,3,1,0.416,53,226,414.433,1.968,5,0.425,0.66,1.0,0.215055513672812,0.13052566650675074,0.04795764512370639,0.026685970803920225,0.10505619902679733
EOS-3-43188,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)c(-c2ccc(F)cc2)n1,IIRJJZXTAZJCJC-UHFFFAOYSA-N,3,1,0.337,25,219,482.458,3.692,6,0.374,0.7,0.984,0.2639726543759852,0.39158556644506887,0.41027002947022134,0.49479987663628267,0.39015703173188954
EOS-3-43189,Fc1cnccc1CCOc1cncc2nnc(-c3cnccc3-c3ccncn3)n12,IOKBABPSOYISAX-UHFFFAOYSA-N,3,1,0.547,65,904,414.404,2.799,5,0.418,0.66,1.0,0.7258498389418134,0.6705332054005894,0.4890600370091152,0.46120896443012815,0.5866630114454116
EOS-3-43190,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,NFPGFAMCBUAMKD-UHFFFAOYSA-N,3,1,0.585,75,324,414.404,2.799,5,0.418,0.64,1.0,0.7676564320471524,0.7049893770132273,0.457705092180111,0.42339455828935646,0.5884363648824618
EOS-3-43191,COc1ncc(F)cc1CCOc1cncc2nnc(-c3cncc(-c4cnc(C)s4)c3)n12,NHSBTVWCJKIIDK-UHFFFAOYSA-N,3,1,0.511,2,419,463.498,3.782,5,0.359,0.64,1.0,0.6009526420396134,0.5459101500925228,0.3068929477074909,0.21106332670824482,0.416204766636968
EOS-3-43193,CCc1nc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)ccc1-c1cnc(C)cn1,SSLQAVCVRSSGRJ-UHFFFAOYSA-N,3,1,0.39,46,717,460.448,3.766,5,0.353,0.61,0.992,0.589772805153862,0.5366064697416215,0.4470478377081763,0.3793691316565006,0.48819906106504013
EOS-3-43194,FCc1ccncc1CCOc1cncc2nnc(-c3cc(-c4cccnc4F)ccn3)n12,NDRKDXNNQAKWAG-UHFFFAOYSA-N,3,1,0.417,18,840,445.433,3.873,5,0.351,0.62,1.0,0.6068209855390309,0.5049431156192173,0.6693167020766225,0.634260845726818,0.6038354122404221
EOS-3-43195,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cncnc5)c4)n23)cn1,WYJSWICVFJGQIE-UHFFFAOYSA-N,3,1,0.506,2,419,414.404,2.799,5,0.391,0.7,1.0,0.7043639915016106,0.6900486601329586,0.547323692687273,0.5013193064217668,0.6107639126859022
EOS-3-43196,COc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,QNSJWHBBBBDJCL-UHFFFAOYSA-N,3,1,0.307,42,339,464.514,4.442,6,0.369,0.64,1.0,0.18470289904735795,0.09486155849496265,0.4543554245767939,0.3919796449866356,0.28147488177643754
EOS-3-43197,Cc1ccc(COc2cncc3nnc(-c4cnnc(-c5cccnc5F)c4)n23)nn1,BUFAILKJYYXUFP-UHFFFAOYSA-N,3,1,0.472,53,587,415.392,2.46,5,0.399,0.66,1.0,0.4920413268453156,0.5319374957165376,0.2556713042286341,0.23420259063806456,0.3784631793571379
EOS-3-43198,Cc1cc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)ncn2)ccn1,GYSMGRGGYQHKCZ-UHFFFAOYSA-N,3,1,0.435,46,238,436.888,3.641,5,0.411,0.59,0.999,0.4300681927215407,0.4467394284147762,0.24495408128298266,0.23728668357206498,0.33976209649784117
EOS-3-43199,Fc1cncc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cscn5)c4)n23)c1,PNTVLIUCYXVJPI-UHFFFAOYSA-N,3,1,0.271,64,449,452.478,4.573,6,0.387,0.61,1.0,0.212399766979645,0.24363477486121582,0.4717377150298129,0.5579980810088411,0.37144258446987866
EOS-3-43200,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncnc(-c5ccnc(F)c5)n4)n23)nc1,ZQWWKQUQGHLXRR-UHFFFAOYSA-N,3,1,0.351,33,53,484.455,2.044,6,0.341,0.75,1.0,0.4845795353299979,0.2637927489548352,0.04462511137002262,0.057586868617641014,0.2126460660681242
EOS-3-43201,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)c(F)c1F,GCAGLFSCLRONIA-UHFFFAOYSA-N,3,1,0.549,59,962,439.422,4.911,5,0.364,0.75,1.0,0.8830529093276678,0.8172674936604757,0.9567627304502776,0.9467222945651429,0.9009513570008909
EOS-3-43202,Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)c(-c2cccnc2)cn1,YEOAJYAROMCBTC-UHFFFAOYSA-N,3,1,0.299,69,987,441.498,5.286,6,0.37,0.72,1.0,0.11032485778904805,0.07851586594476047,0.6666695223082723,0.6688283873620725,0.38108465835103833
EOS-3-43203,Fc1ccc(-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(OCC(F)F)c1,GKXHUDMMIIXXMT-UHFFFAOYSA-N,3,1,0.382,48,225,420.341,5.179,4,0.404,0.79,0.999,0.7407562881228155,0.9101586594476047,0.9965989308477828,0.9962305530806662,0.9109361078747173
EOS-3-43204,Cc1ncccc1-c1cncc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,FHYXLSDWOZBNCE-UHFFFAOYSA-N,3,1,0.69,84,884,460.9,4.971,5,0.356,0.71,1.0,0.9240199438009732,0.9198821191145227,0.8679151531766157,0.8515180590775135,0.8908338187924063
EOS-3-43205,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ncccn5)cnn4)n23)ccn1,HVLWMKCEWRXOBS-UHFFFAOYSA-N,3,1,0.44,18,65,415.392,2.194,5,0.385,0.66,1.0,0.6953258858200261,0.5844527448427113,0.22010143238982935,0.2285227194846138,0.43210069563429515
EOS-3-43206,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cnc(Cl)nc5)nn4)n23)cc1,YXNNMXDCRFKZQN-UHFFFAOYSA-N,3,1,0.294,39,972,471.847,3.079,6,0.356,0.59,1.0,0.017425125077102324,0.1682715372489891,0.27788534027825373,0.41390240559248853,0.21937110204920843
EOS-3-43207,COc1cc(Cl)cc(Cl)c1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,HVYOAQJKWHSJFF-UHFFFAOYSA-N,3,1,0.522,0,536,484.343,4.578,5,0.413,0.81,1.0,0.7616424508258516,0.50033411006785,0.6025203892810637,0.6430076759646357,0.6268761565348502
EOS-3-43208,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cncc(F)n5)cn4)n23)c1,KGKFVYKLPLLWLF-UHFFFAOYSA-N,3,1,0.439,18,773,466.839,3.591,5,0.35,0.59,0.999,0.8735007881570831,0.8811510520183675,0.634954766636968,0.6746453293125899,0.7660629840312522
EOS-3-43209,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)nn5)n4)n23)cc1,DLYMJUUQAUMJDX-UHFFFAOYSA-N,3,1,0.479,56,415,481.455,2.552,6,0.349,0.66,1.0,0.4796963881844973,0.43350352957302446,0.13522890823110137,0.12538551161675004,0.2934535844013433
EOS-3-43210,Cc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)ccn1,PVYVTDCJRJOCMJ-UHFFFAOYSA-N,3,1,0.303,38,641,448.515,4.742,6,0.384,0.65,1.0,0.06008841066410801,0.11094167637584812,0.28166335412240423,0.3122901103419916,0.19124588787608798
EOS-3-43211,Fc1cc(Cl)cc(COCc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1,MLUKQTLTDMVUSK-UHFFFAOYSA-N,3,1,0.463,14,189,446.873,4.758,5,0.374,0.66,1.0,0.36939723116989925,0.4729884860530464,0.8664930436570488,0.8839867041326845,0.6482163662531697
EOS-3-43212,Cc1cnc(-c2cc(-c3nnc4cncc(Cc5cccc(F)c5)n34)cc(C)n2)cn1,JPINBFIXSZMEHI-UHFFFAOYSA-N,3,1,0.392,85,81,411.444,3.99,5,0.445,0.74,1.0,0.27705434857103695,0.2896562949763553,0.5336080460557878,0.5114625454047015,0.4029453087519704
EOS-3-43213,COc1cncc(CCOc2cncc3nnc(-c4cncnc4-c4ccc(C(F)F)cc4)n23)c1,IZWKHFMMTILYGU-UHFFFAOYSA-N,3,1,0.495,35,234,475.459,4.211,5,0.329,0.76,0.995,0.764598039887602,0.6751422109519567,0.7973836611609897,0.6865276540333082,0.7309128915084642
EOS-3-43215,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cnc(-c4ccnn4C)cn3)n12,HNPDAIQBLQCGSC-UHFFFAOYSA-N,3,1,0.362,74,845,411.429,2.056,5,0.479,0.65,1.0,0.08153142348022754,0.0642433692001919,0.1505208690288534,0.08682578301692824,0.09578036118155026
EOS-3-43216,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1c[nH]c(=N)cn1,BUKUVEXZFWJAQG-UHFFFAOYSA-N,3,1,0.453,97,591,460.885,3.297,5,0.372,0.7,1.0,0.7646066068124187,0.5985624700157631,0.6260708656020835,0.49790967034473305,0.6217874031937496
EOS-3-43217,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nc5)nn4)n23)c(F)c1,XSMHHUIYJPGUOM-UHFFFAOYSA-N,3,1,0.469,4,772,477.847,2.509,5,0.364,0.63,1.0,0.5806832979233775,0.5274998286615037,0.33628606675347816,0.34051812761291206,0.44624683023781786
EOS-3-43218,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ncc(Cl)cc5F)sc4C)n23)cn1,YNDCYSHKPDYKQF-UHFFFAOYSA-N,3,1,0.462,4,390,467.917,4.693,5,0.37,0.74,1.0,0.6152594064834487,0.7592779795764513,0.27002947022136936,0.3244294428072099,0.49224907477211977
EOS-3-43219,Cn1nccc1-c1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ncn2)nc1,YEDTYQAFBMLSMG-UHFFFAOYSA-N,3,1,0.43,6,481,476.504,3.06,6,0.342,0.67,1.0,0.43007675964635733,0.1566462202727709,0.23087005688438078,0.17991398807484066,0.24937675621958744
EOS-3-43220,Cc1nsc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)n1,BXONNWBORRCMFJ-UHFFFAOYSA-N,3,1,0.448,13,995,423.408,4.084,5,0.43,0.66,1.0,0.5327684874237544,0.5645003769446919,0.5473322596120896,0.567593036803509,0.5530485401960112
EOS-3-43221,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cccnc5F)c4)n23)nc1,CQDOZHXROQWGQT-UHFFFAOYSA-N,3,1,0.284,64,885,464.439,4.651,6,0.351,0.7,1.0,0.2936998834898225,0.36309197450483177,0.6776180522239736,0.7462648207799328,0.5201686827496402
EOS-3-43222,Cc1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1cccc(F)c1F,VGELZLTZEUFPBO-UHFFFAOYSA-N,3,1,0.396,46,223,465.851,4.462,5,0.378,0.66,1.0,0.6741313138235899,0.7142330888904119,0.7887482009457885,0.7971866218902063,0.7435748063874992
EOS-3-43223,Fc1ccc(Cc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)cc1Cl,IYYMTGFIKXBXTL-UHFFFAOYSA-N,3,1,0.455,23,225,423.225,5.766,4,0.419,0.85,1.0,0.6319049414022343,0.8811596189431842,0.9972157494345829,0.9995202522102666,0.877450140497567
EOS-3-43224,Fc1cc(F)cc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)s5)n34)c2)c1,OUPSMKYHAMYJJC-UHFFFAOYSA-N,3,1,0.588,59,439,439.422,4.911,5,0.389,0.69,1.0,0.6620433829072716,0.7849787540264547,0.935139812213008,0.9385837159893085,0.8301864162840107
EOS-3-43225,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)n1,UPZOAKBNWCYMLT-UHFFFAOYSA-N,3,1,0.506,4,242,414.404,3.065,5,0.432,0.63,1.0,0.814551778493592,0.7634672058118018,0.3626379274895484,0.3122986772668083,0.5632388972654376
EOS-3-43226,Cc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,XOCHVSRBOOEKOF-UHFFFAOYSA-N,3,1,0.442,18,873,428.431,3.107,5,0.38,0.57,1.0,0.6206737029675827,0.5182903844835858,0.3662274689877322,0.3405266945377287,0.46142956274415736
EOS-3-43227,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)n(C)n1,GZAKJNQTERQGFY-UHFFFAOYSA-N,3,1,0.506,1,347,414.444,4.218,5,0.431,0.74,1.0,0.48708107737646494,0.6315194297854843,0.6113871564663148,0.5985539030909465,0.5821353916798025
EOS-3-43228,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1)N1CCC(F)(F)CC1,WRZBNJBJMPWGEL-UHFFFAOYSA-N,3,1,0.372,66,345,485.445,3.981,5,0.398,0.75,0.946,0.09092934000411212,0.19404084709752586,0.25237303817421697,0.4455486258652594,0.2457229627852786
EOS-3-43229,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5Cl)n34)c[nH]c2=O)n(C)n1,DWUIKZIKYUFLLJ-UHFFFAOYSA-N,3,1,0.406,36,45,467.852,2.35,5,0.39,0.59,1.0,0.37395483517236655,0.29485641834007265,0.20968405181276129,0.2487492289767665,0.28181113357549176
EOS-3-43230,CCc1nc(-c2cccc(C)n2)c(-c2cncc3nnc(-c4ccc(F)cn4)n23)n1C(C)C,GSZPOHSQGBOHFT-UHFFFAOYSA-N,3,1,0.291,50,432,442.502,4.703,5,0.392,0.68,0.137,0.16527311356315538,0.21286238091974505,0.13230758686861765,0.12078507299019944,0.15780703858542938
EOS-3-43231,N#Cc1ccc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5F)n34)c2)nc1,UTUKNAJKNLLAOF-UHFFFAOYSA-N,3,1,0.473,97,89,459.391,4.116,5,0.365,0.63,1.0,0.9005894044273868,0.8786066753478171,0.9468850661366596,0.9298197519018573,0.9139752244534303
EOS-3-43232,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5sncc5C)n34)c2)nc1,LNDYMPUYRKQTLA-UHFFFAOYSA-N,3,1,0.532,16,921,415.482,3.901,5,0.43,0.7,1.0,0.37631930642176686,0.32928688917826054,0.16615550681927216,0.13171646905626755,0.2508695428688918
EOS-3-43233,Cc1cc(-c2nnc3cncc(-c4c(-c5cccnc5F)nc(C)n4C)n23)ccc1Cl,KLCJYYAVSHZDHI-UHFFFAOYSA-N,3,1,0.338,22,155,433.878,4.663,5,0.387,0.7,0.977,0.25078815708313346,0.4014375299842369,0.5571756562264409,0.6282125968062504,0.45940348502501543
EOS-3-43234,Cc1nnc(-c2cnc(-c3nnc4cncc(CCc5ncccc5F)n34)nc2)s1,ZZMCOXOKWFAXJR-UHFFFAOYSA-N,3,1,0.306,85,580,419.449,2.728,5,0.428,0.55,1.0,0.22906243574806387,0.25350387225001714,0.022351106846686314,0.039073744088821874,0.1359977897333973
EOS-3-43235,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1F,HOCMZZJKZWVWJW-UHFFFAOYSA-N,3,1,0.489,16,610,468.855,3.975,5,0.348,0.65,1.0,0.592634158042629,0.6460575011993694,0.614531217874032,0.6460660681241861,0.6248222363100542
EOS-3-43236,Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cc(=O)n(C)cn5)c(F)n4)n23)cc1F,UVKXHGQNBFQUJW-UHFFFAOYSA-N,3,1,0.433,46,223,462.42,2.508,5,0.366,0.56,0.993,0.49441436501953256,0.3441248029607292,0.46120896443012815,0.38248749228976764,0.4205589061750394
EOS-3-43237,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4cc(F)c(Cl)c(F)c4)n23)cc1,NNAIOTNSYLSTES-UHFFFAOYSA-N,3,1,0.333,96,102,436.853,5.273,5,0.36,0.77,1.0,0.3739634020971832,0.560216914536358,0.941899115893359,0.947467617024193,0.7058867623877733
EOS-3-43238,Cc1c(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2)nnn1C,JZKXMHHANKZFJK-UHFFFAOYSA-N,3,1,0.512,20,846,413.445,2.307,5,0.417,0.69,1.0,0.3763278733465835,0.22822287711603043,0.05730416009869097,0.04668117332602289,0.17713402097183195
EOS-3-43239,Clc1cc(CCOc2cncc3nnc(-c4cnnc(-c5cncs5)c4)n23)ccn1,MZENZKMHQFHSCN-UHFFFAOYSA-N,3,1,0.512,65,778,436.888,3.375,5,0.373,0.58,1.0,0.5806918648481941,0.6851483791378247,0.3216880268658762,0.37296963881844974,0.4901244774175862
EOS-3-43240,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cc(Cl)n5)n34)c2)cs1,PEUHZBHVZSDMCZ-UHFFFAOYSA-N,3,1,0.483,2,390,453.89,4.385,5,0.364,0.68,1.0,0.4996230553080666,0.5645089438695086,0.5636693852374751,0.5707713659104928,0.5496431875813858
EOS-3-43241,Cn1nnnc1-c1nccnc1COc1cncc2nnc(-c3ccc(C(F)F)cc3F)n12,JQNYEQLNYRCDBI-UHFFFAOYSA-N,3,1,0.439,36,728,454.376,2.428,5,0.381,0.53,1.0,0.46227126310739497,0.6031971763415804,0.31431190459872527,0.3760622986772668,0.4389606606812419
EOS-3-43242,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(C)o6)c(F)c5)n34)cn2)nn1,HYAZGYIPMKLUAY-UHFFFAOYSA-N,3,1,0.337,32,693,464.464,4.721,6,0.369,0.66,1.0,0.32974950311836065,0.4244739908162566,0.5636779521622918,0.504848879446234,0.4556875813857858
EOS-3-43243,COc1cc(-c2nnc3cncc(OCCc4sc(C)nc4C)n23)ccc1-c1cnn(C)c1,SGARRZSCHPOVRJ-UHFFFAOYSA-N,3,1,0.523,15,771,461.551,3.895,5,0.363,0.62,1.0,0.3014443835240902,0.2585240901925845,0.1323161537934343,0.06689911589335892,0.189795935850867
EOS-3-43244,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)nn5)ncc4F)n23)nc1,ZBYMKSCIBHPZRF-UHFFFAOYSA-N,3,1,0.363,33,53,482.439,1.988,5,0.379,0.65,0.971,0.5982197930230965,0.3631005414296484,0.32538037146186005,0.22853128640943046,0.37880799808100885
EOS-3-43245,Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc(-c2ccc(F)cc2)n1,ROBZDHRAMYPVRT-UHFFFAOYSA-N,3,1,0.6,11,595,460.9,4.971,5,0.333,0.75,1.0,0.9464481529710095,0.9564200534576108,0.817464532931259,0.8224847508738263,0.8857043725584264
EOS-3-43246,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)[nH]c2C)ccc1F,ATRQNLICBQWYFR-UHFFFAOYSA-N,3,1,0.468,35,619,428.471,4.559,5,0.429,0.65,1.0,0.45092865465012677,0.33902748269481187,0.7755465698033034,0.7089044616544445,0.5686017922006716
EOS-3-43247,CCn1cnnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc(C)n1,QDNPKTLWTWQPGL-UHFFFAOYSA-N,3,1,0.469,31,908,445.462,2.929,5,0.352,0.58,1.0,0.47470187101637995,0.3727897333972997,0.1472997052977863,0.13172503598108423,0.28162908642313755
EOS-3-43248,CCn1cncc1-c1cc(Cl)cc(-c2nnc3cncc(Oc4ncccc4Cl)n23)c1,RZMWNDVPNUDCES-UHFFFAOYSA-N,3,1,0.379,26,412,452.305,5.169,5,0.366,0.73,1.0,0.5302840792269207,0.5319460626413542,0.6966965937906929,0.7302789390720307,0.6223014186827496
EOS-3-43249,Cc1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccn(C)n4)n23)cc1F,WLOOXJFQGJTUDB-UHFFFAOYSA-N,3,1,0.5,43,909,414.444,4.218,5,0.431,0.71,1.0,0.7498286615036667,0.6608782811322048,0.773284901651703,0.7005088753341101,0.7211251799054211
EOS-3-43250,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(C)n5)cnn4)n23)cc1,CQOUBHAMLRMPMQ-UHFFFAOYSA-N,3,1,0.494,89,534,410.441,3.234,5,0.435,0.72,1.0,0.4969930093893496,0.42448255774107324,0.29964532931258997,0.2195274484271126,0.3601620862175314
EOS-3-43251,Fc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccncc5F)n34)c2)cn1,YDXSNUBUQCSXBT-UHFFFAOYSA-N,3,1,0.44,7,875,419.355,2.29,5,0.423,0.55,0.983,0.527851072578987,0.5738554588444932,0.4577136591049277,0.4486841203481598,0.502026077719142
EOS-3-43252,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(C)n5)n34)cn2)cn1,AKBDDNLBYBAJHT-UHFFFAOYSA-N,3,1,0.432,7,535,411.429,2.629,5,0.43,0.71,1.0,0.430085326571174,0.314988691659242,0.12943766705503393,0.07989514084024399,0.23860170653142346
EOS-3-43253,N#Cc1cc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)ccc1F,UQNRWRLMZFNLIH-UHFFFAOYSA-N,3,1,0.554,34,372,463.885,4.553,5,0.376,0.68,1.0,0.8298865739154273,0.9554776917277774,0.7301504351997807,0.8124700157631417,0.8319961791515318
EOS-3-43254,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5c(F)cccc5Cl)n34)ncn2)s1,WJVWHUDAIPSIOD-UHFFFAOYSA-N,3,1,0.374,44,971,439.863,4.598,5,0.404,0.66,0.912,0.6068295524638476,0.6460660681241861,0.5405558220821054,0.5835446508121445,0.5942490233705708
EOS-3-43255,COc1ncc(C)cc1-c1nncnc1-c1cncc2nnc(-c3ccc(C(F)(F)F)nn3)n12,ROESWDFLVITFOL-UHFFFAOYSA-N,3,1,0.271,53,542,466.387,2.831,5,0.39,0.54,0.308,0.43690459872524157,0.41999348913713935,0.4955966006442327,0.3374083339044617,0.42247575560276884
EOS-3-43256,Cc1ncc(-c2nnc3cncc(-c4nc(Cl)ccc4Oc4ccc(F)cc4)n23)s1,OZTIZZWGBSRVAR-UHFFFAOYSA-N,3,1,0.359,96,586,438.875,5.203,5,0.359,0.82,1.0,0.39649441436501953,0.5319546295661709,0.5993420601740799,0.6865362209581248,0.5535818312658488
EOS-3-43257,Cc1nc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cc(-c2cncn(C)c2=O)n1,SQWSDCQZGVMOPW-UHFFFAOYSA-N,3,1,0.455,89,731,469.465,1.328,5,0.387,0.55,0.999,0.4048043314371873,0.09788568295524638,0.08501816188061134,0.03908231101363854,0.15669762182167088
EOS-3-43258,Fc1nc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)ccc1-c1ncccn1,QHYKTEIYNNBDSJ-UHFFFAOYSA-N,3,1,0.416,46,242,439.863,4.076,5,0.381,0.61,1.0,0.7899904050442054,0.7233654307449798,0.49560516756904943,0.5350130217257213,0.635993506270989
EOS-3-43259,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1cnccn1,OXMHTIUQXRCJFA-UHFFFAOYSA-N,3,1,0.429,65,324,451.853,2.791,5,0.387,0.52,0.999,0.46490987595092864,0.38698512781851824,0.3289784798848605,0.38249605921458435,0.3908423857172229
EOS-3-43260,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc(C)n2)nn1,JVXNRVFNAOCUBU-UHFFFAOYSA-N,3,1,0.495,58,241,442.458,3.416,5,0.369,0.57,1.0,0.7377835652114317,0.6410458501816189,0.35138098828044684,0.28156911794942086,0.5029448804057296
EOS-3-43261,Cc1ncc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)c(Cl)c5)n34)c2)o1,CFNVACLHDBHXGQ-UHFFFAOYSA-N,3,1,0.518,13,573,439.262,5.249,5,0.378,0.72,1.0,0.6741398807484066,0.5941162360359126,0.8017613597423069,0.822493317798643,0.7231276985813173
EOS-3-43262,Cc1cc(-c2nnc3cncc(OCc4cnnc(-c5ccc(=O)n(C)n5)c4)n23)ccc1Cl,GFNKDFDGZFBXRT-UHFFFAOYSA-N,3,1,0.478,36,659,460.885,2.883,5,0.393,0.54,0.372,0.5352871633198547,0.6460746350490028,0.3587656774724145,0.3729782057432664,0.47827642039613466
EOS-3-43263,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nc1,DTJOXARMGUFGDX-UHFFFAOYSA-N,3,1,0.391,28,318,452.503,4.503,6,0.38,0.66,1.0,0.4391405661023919,0.38699369474333495,0.432432663970941,0.35335138098828045,0.40297957645123705
EOS-3-43264,CCn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nc(C)nn5C)on4)n23)c(F)c1,ZBSYOQOMHUXJIN-UHFFFAOYSA-N,3,1,0.3,99,765,471.46,2.968,6,0.372,0.6,0.997,0.239942430265232,0.2948649852648893,0.04315160030155575,0.05462271263107395,0.15814543211568774
EOS-3-43265,Fc1cccc(F)c1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)nc1,PMGRIVOIVOMYAF-UHFFFAOYSA-N,3,1,0.325,30,543,464.439,4.651,6,0.375,0.63,1.0,0.2150640805976287,0.33398156397779455,0.67508224247824,0.7811150709341375,0.5013107394969502
EOS-3-43266,CCOc1cc(C)c(C)cc1-c1nnc2cncc(-c3ccnc(-c4nc(OC)nn4C)n3)n12,QJJQIHXSJZPNQD-UHFFFAOYSA-N,3,1,0.323,50,974,457.498,3.068,5,0.379,0.57,0.325,0.12671338496333356,0.08549790967034473,0.03343670755945446,0.010271742855184703,0.06397993626207937
EOS-3-43267,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccn2)[nH]c1F,JDSMCBVWZBZWFG-UHFFFAOYSA-N,3,1,0.443,20,239,451.853,3.089,5,0.418,0.54,0.994,0.6436330614762524,0.6364796792543349,0.23445103145774793,0.2638955520526352,0.44461483106024263
EOS-3-43268,Cc1cc(COc2cncc3nnc(-c4cncc(-c5cc(C)nn5C)c4)n23)c(F)c(C)n1,GWRDLUDSBNEISZ-UHFFFAOYSA-N,3,1,0.44,92,677,444.474,3.625,5,0.408,0.54,1.0,0.4230347474470564,0.3631091083544651,0.41027859639503805,0.26699677883626893,0.3658548077582071
EOS-3-43269,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)cnn2)n1,ZUDMHAZOHRPMRM-UHFFFAOYSA-N,3,1,0.479,58,778,432.394,2.938,5,0.377,0.54,0.963,0.789998971969022,0.6851569460626413,0.5473408265369063,0.564294770749092,0.6466978788294154
EOS-3-43270,N#Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)nc1Cl,JSPNHHNVQJFIOU-UHFFFAOYSA-N,3,1,0.568,75,359,455.869,3.185,5,0.354,0.57,1.0,0.8625865259406483,0.8210883421287095,0.43244123089575764,0.4390034953053252,0.6387798985676102
EOS-3-43271,Fc1cc(-c2cncnc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,BCMZRFKXVCIJMD-UHFFFAOYSA-N,3,1,0.598,35,234,413.416,3.404,5,0.421,0.68,1.0,0.8713933246521829,0.8943955177849359,0.6666780892330889,0.6430162428894524,0.7688707936399151
EOS-3-43272,Cn1nc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1ccnc(F)c1,NOWISAXDPANFKH-UHFFFAOYSA-N,3,1,0.426,31,569,417.408,2.137,5,0.387,0.64,0.964,0.4230433143718731,0.29487355218970596,0.23087862380919746,0.22250017133849634,0.2928239154273182
EOS-3-43273,c1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)cc5)n34)cn2)c1,PSEAIJRKHJFFFV-UHFFFAOYSA-N,3,1,0.337,69,57,417.432,4.57,6,0.415,0.75,1.0,0.0909379069289288,0.10784901651703105,0.6290778562127339,0.6313480912891508,0.3648032177369611
EOS-3-43274,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)n1,HDTPSHIRWNKLKM-UHFFFAOYSA-N,3,1,0.512,16,256,419.445,3.731,5,0.429,0.62,1.0,0.7134877664313618,0.6705417723254061,0.4506116784319101,0.420284764580906,0.563731495442396
EOS-3-43275,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ncn(-c4cnc(F)c(F)c4)n3)n12,JNKIGRWPSULMIR-UHFFFAOYSA-N,3,1,0.303,10,635,472.394,3.308,6,0.359,0.56,0.992,0.0732643410321431,0.3047940511274073,0.580023644712494,0.6199112466588993,0.39449832088273595
EOS-3-43276,Fc1ccc(Cl)cc1-c1nnc2cncc(-c3cn(-c4ccccc4F)nn3)n12,DHGRJUTYZNQTEB-UHFFFAOYSA-N,3,1,0.346,45,730,409.787,3.971,5,0.451,0.8,0.992,0.042440545541772325,0.2997395654855733,0.8354379411966281,0.9182886710986224,0.523976680830649
EOS-3-43277,Cc1c(Cl)cccc1-c1cnc(-c2cncc3nnc(-c4ccc(F)cc4F)n23)cn1,FTUHHYULGGCSCT-UHFFFAOYSA-N,3,1,0.414,45,837,434.837,5.155,5,0.392,0.7,1.0,0.4028339387293537,0.6608868480570215,0.9279692961414571,0.9508001507778767,0.7356225584264273
EOS-3-43278,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)c(C)o1,DSVLITBHGZJZMQ-UHFFFAOYSA-N,3,1,0.531,1,347,415.428,4.781,5,0.411,0.82,1.0,0.7730364608320197,0.7421012953190322,0.5540829963676239,0.5449420875882394,0.6535407100267288
EOS-3-43279,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4nnc(-c5cnco5)s4)n23)c1F,WORPXPPDDBBKID-UHFFFAOYSA-N,3,1,0.471,73,877,447.814,3.808,5,0.375,0.65,1.0,0.6348690973888013,0.7421098622438489,0.4399030224110753,0.5707799328353095,0.5969154787197587
EOS-3-43280,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)n1,SDCRERHLIYKTCD-UHFFFAOYSA-N,3,1,0.447,18,531,462.876,3.761,5,0.351,0.59,1.0,0.792911726406689,0.6751507778767734,0.42131279555890616,0.4549808100884107,0.5860890274826948
EOS-3-43281,Cc1cncc(COc2cncc3nnc(-c4ccc(-c5cnn(C)n5)cn4)n23)c1F,RZEXPKYHNYRWLU-UHFFFAOYSA-N,3,1,0.427,92,62,417.408,2.403,5,0.429,0.58,0.842,0.5020560619560003,0.37279830032211636,0.3216965937906929,0.2431378932218491,0.35992221232266464
EOS-3-43282,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cc(F)ccn5)nc4)n23)n(C)n1,IRXUHMUXWGTPIL-UHFFFAOYSA-N,3,1,0.466,24,617,416.42,3.008,5,0.435,0.63,1.0,0.4300938934959907,0.4467479953395929,0.3104739222808581,0.2670053457610856,0.3635802892193818
EOS-3-43283,Cc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cnc(F)cn5)c4)n23)n(C)n1,QBPAMBSMEOOBLT-UHFFFAOYSA-N,3,1,0.43,7,662,451.853,3.057,5,0.375,0.56,0.849,0.3965029812898362,0.46861935439654584,0.29612432321293947,0.2873260914262216,0.3621431875813858
EOS-3-43284,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)c1,RWWRCWFNJKYVBI-UHFFFAOYSA-N,3,1,0.389,46,211,420.383,2.839,5,0.404,0.57,0.999,0.5378401069152217,0.3488623123843465,0.6234579535329998,0.5611078747172915,0.5178170618874649
EOS-3-43285,Cc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ncc1-c1cnccn1,DKZPRGVCZFUTRV-UHFFFAOYSA-N,3,1,0.472,7,540,430.859,3.579,5,0.416,0.51,1.0,0.48458810225481463,0.5459187170173394,0.4213213624837228,0.43292097868549106,0.471187290110342
EOS-3-43286,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nc1,NHWJEOZXDOIMEZ-UHFFFAOYSA-N,3,1,0.342,32,191,452.478,4.573,6,0.362,0.62,1.0,0.2556884380782674,0.3824446576656843,0.5771794256733603,0.5864745390994449,0.45044676512918924
EOS-3-43287,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(C(F)(F)C(F)F)nc3)n12,LEOZFXALVBOVAR-UHFFFAOYSA-N,3,1,0.369,96,243,470.365,4.201,5,0.355,0.67,0.999,0.4137996024946885,0.608183126584881,0.9863014872181481,0.9717719827290796,0.7450140497566993
EOS-3-43288,Cc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,ZZWMOJFLRQIPTP-UHFFFAOYSA-N,3,1,0.5,11,578,461.888,4.366,5,0.347,0.66,1.0,0.9304794051127407,0.9141165787129052,0.6615979028168049,0.6543674182715372,0.790140326228497
EOS-3-43289,Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2F)n1,AXEFWNOQSLIJBN-UHFFFAOYSA-N,3,1,0.433,49,773,461.888,4.366,5,0.347,0.65,1.0,0.860144952367898,0.8093944897539579,0.5960866287437462,0.6077890480433144,0.718353779727229
EOS-3-43290,Fc1nc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)ccc1-c1nnco1,OVEUYVHQLNZSPG-UHFFFAOYSA-N,3,1,0.416,46,980,459.228,3.656,5,0.363,0.6,1.0,0.734810842300048,0.6221986155849496,0.5833647453909945,0.6776694537728737,0.6545109142622164
EOS-3-43291,c1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cnn2)cc1,SXPMXQZQLRSBGN-UHFFFAOYSA-N,3,1,0.288,30,945,418.424,3.095,6,0.463,0.55,0.968,0.10309437324378042,0.1272873689260503,0.26649133027208555,0.3093259543554246,0.20154975669933523
EOS-3-43292,O=C(O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cncnn5)ncn4)n23)cn1,MHYREPNMUGQDEG-UHFFFAOYSA-N,3,1,0.305,85,60,412.373,1.117,5,0.441,0.64,1.0,0.1542731820985539,0.05249811527654033,0.05160715509560688,0.02952162291823727,0.0719750188472346
EOS-3-43293,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)n(C)n1,AUYMFAZOWCVDFF-UHFFFAOYSA-N,3,1,0.489,16,55,449.877,4.267,5,0.373,0.61,1.0,0.5302926461517373,0.5412069083681722,0.747883969570283,0.7169402371324789,0.6340809403056679
EOS-3-43294,Cn1[nH]nc(-c2cc(Cl)c(COc3cncc4nnc(-c5cncc(F)c5)n34)cc2F)c1=O,VKPYWMNNUXZCSS-UHFFFAOYSA-N,3,1,0.457,73,772,470.827,2.786,5,0.42,0.56,0.999,0.5303012130765541,0.5319631964909876,0.6085515043519978,0.6891748338016586,0.5899976869302994
EOS-3-43295,COCn1cc(-c2cn(-c3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nn2)cn1,WQRFBXFUFHPDML-UHFFFAOYSA-N,3,1,0.422,99,816,454.458,1.635,6,0.368,0.54,0.984,0.010108971283668014,0.02909327667740388,0.046389897882256184,0.034627510108971284,0.03005491398807484
EOS-3-43296,Cc1cnc(-c2nnc(-c3cncc4nnc(-c5cnc(-c6nncn6C)cc5F)n34)[nH]2)cn1,YVJXNRDBJKGCMT-UHFFFAOYSA-N,3,1,0.279,99,286,455.421,1.671,6,0.415,0.49,0.138,0.16791172640668905,0.2486464258789665,0.0402131450894387,0.05191556438900692,0.1271717154410253
EOS-3-43297,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)cn1,KUPNUKBPGVHZOY-UHFFFAOYSA-N,3,1,0.464,87,858,462.876,3.761,5,0.375,0.58,1.0,0.7616510177506682,0.7634757727366185,0.5603625522582414,0.5479833458981564,0.6583681721609211
EOS-3-43298,FC(F)n1ccnc1-c1nnc2cncc(-c3cncc(-c4cnc(Cl)nn4)c3)n12,WEUYUXYEVVEHPD-UHFFFAOYSA-N,3,1,0.25,50,489,426.778,2.95,5,0.431,0.53,0.994,0.09319100815571242,0.14497806867246932,0.49916044136796656,0.5416095538345556,0.319734768007676
EOS-3-43299,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)cc1,TTXDFXSHJXGCIU-UHFFFAOYSA-N,3,1,0.333,69,958,430.471,5.484,6,0.368,0.81,1.0,0.15963607703378796,0.12366355972859983,0.7802326776780207,0.7538379823178671,0.4543425741895689
EOS-3-43300,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)nn2C)cn1,VUHCLIGWDKVGSU-UHFFFAOYSA-N,3,1,0.347,7,956,419.836,3.131,5,0.437,0.61,1.0,0.3345726817901446,0.32929545610307726,0.1385443081351518,0.1504094990062367,0.2382054862586526
EOS-3-43301,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5coc(F)c5)n34)cn2)cn1,QNKNNSBIGPMAQW-UHFFFAOYSA-N,3,1,0.5,65,282,417.404,3.305,5,0.414,0.67,1.0,0.7646151737372353,0.737415187444315,0.46829381125351244,0.37298677266808306,0.5858277362757864
EOS-3-43302,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)nc4)n23)nc1,XZINYZLDSHUNHG-UHFFFAOYSA-N,3,1,0.376,42,968,478.495,4.036,6,0.365,0.71,1.0,0.18201288465492427,0.2535124391748338,0.13232472071825097,0.17426838462065658,0.1855296072921664
EOS-3-43303,COc1cc(-c2nnc3cncc(CCN4CCc5ccccc54)n23)ccc1-c1ccc(C#N)nc1,XNLAYSURPJYKFJ-UHFFFAOYSA-N,3,1,0.398,14,257,473.54,4.339,6,0.362,0.68,1.0,0.3369542868891783,0.13395243643341787,0.39993831814131997,0.40396477280515386,0.3187024535672675
EOS-3-43304,CCCn1c(-c2ccccc2C)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,ZPVFBSNYKZTALT-UHFFFAOYSA-N,3,1,0.341,8,474,476.548,4.231,6,0.354,0.75,1.0,0.05829792337742444,0.03193749571653759,0.03608388732780481,0.056061956000274145,0.045595315605510243
EOS-3-43305,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cc2)cs1,ULJRJCLTWWVTTK-UHFFFAOYSA-N,3,1,0.536,97,22,452.902,4.99,5,0.374,0.74,1.0,0.8668442875745322,0.7972294565142897,0.784815982454938,0.7692327462134192,0.8045306181892947
EOS-3-43306,Cc1cnnc(-c2cnnc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)c2)n1,YARNJDDSGVYAFI-UHFFFAOYSA-N,3,1,0.354,53,105,415.421,1.363,5,0.414,0.65,0.998,0.12112774998286616,0.08873620725104517,0.016260023302035503,0.007675964635734357,0.058449986292920295
EOS-3-43307,Cc1cnc(C)c(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)c1,QFSXTJLUQVRTAE-UHFFFAOYSA-N,3,1,0.598,59,884,460.9,5.237,5,0.357,0.78,1.0,0.8224847508738263,0.7890223425399219,0.8966143513124529,0.868009389349599,0.8440327085189501
EOS-3-43308,Cc1ncnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)cn2)c1C,SUIBZKSKXRZDFN-UHFFFAOYSA-N,3,1,0.31,94,515,475.491,4.523,6,0.366,0.7,0.95,0.30145295044890685,0.372806867246933,0.4252193132753067,0.43610787471729145,0.3838967514221095
EOS-3-43309,Cc1nc(-c2cc(C)n(C)n2)cc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)n1,YSNHCCHZUWRLFO-UHFFFAOYSA-N,3,1,0.418,31,851,459.489,3.063,5,0.381,0.57,0.999,0.39005208690288534,0.26380131587965183,0.13233328764306765,0.07810465355356042,0.2160728359947913
EOS-3-43310,COc1nc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)ccc1-c1ncccn1,OWCIAYNWBOKCLX-UHFFFAOYSA-N,3,1,0.444,18,896,462.42,2.947,5,0.36,0.55,1.0,0.822493317798643,0.6178123500788157,0.33987560825166196,0.28465321088342127,0.5162086217531355
EOS-3-43311,CCc1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ccc(F)nn1,LLHMPEALGJBWAT-UHFFFAOYSA-N,3,1,0.42,58,773,460.448,3.5,5,0.364,0.58,0.638,0.6982557741073264,0.6512062230141868,0.37792132136248374,0.37607086560208347,0.5258635460215201
EOS-3-43312,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncs5)c4)n23)cc1,OCPGTFLWNLDJAI-UHFFFAOYSA-N,3,1,0.537,77,755,466.53,4.289,6,0.361,0.7,1.0,0.5352957302446714,0.3248577890480433,0.43603933931875816,0.3919882119114523,0.42204526763073125
EOS-3-43313,Cc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc(-c2ccc(F)cn2)n1,SZQAFRTUQGUVNK-UHFFFAOYSA-N,3,1,0.511,75,429,461.888,4.366,5,0.371,0.59,1.0,0.9054040161743541,0.8391731204166952,0.6501267904872867,0.6631313823589884,0.764458827359331
EOS-3-43314,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(F)n4)n23)ncc1Cl,MNUCNJOOLINNKN-UHFFFAOYSA-N,3,1,0.456,46,223,457.853,4.215,5,0.365,0.66,1.0,0.5866801452950449,0.6560037009115208,0.7199129600438626,0.7488434651497499,0.6778600678500445
EOS-3-43315,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nc(C)c(C)[nH]1,XDLRYBHHTWUORF-UHFFFAOYSA-N,3,1,0.376,31,690,461.917,3.778,5,0.405,0.62,0.142,0.37852957302446716,0.4060122678363375,0.08236241518744432,0.07036015351929271,0.23431610239188544
EOS-3-43316,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)s1,WDIBTKWKAIAOLX-UHFFFAOYSA-N,3,1,0.424,14,18,417.469,4.941,5,0.405,0.79,1.0,0.44620827907614286,0.5459272839421562,0.7199215269686793,0.6977417586183263,0.6024497121513261
EOS-3-43317,COCc1ccc(-c2cc(-c3nnc4cncc(COc5cncc(Cl)c5)n34)nc(C)n2)cn1,IXHSAPJGIWITCB-UHFFFAOYSA-N,3,1,0.327,85,500,474.912,3.726,5,0.348,0.67,1.0,0.460001028030978,0.3681207593722157,0.36264649441436503,0.3154427386745254,0.376552755123021
EOS-3-43318,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)c(F)c1,OFPKGEQVFCFFFP-UHFFFAOYSA-N,3,1,0.472,36,52,471.378,3.114,5,0.36,0.61,1.0,0.514546638338702,0.6803080666164074,0.8546792543348639,0.7302875059968473,0.6949553663217051
EOS-3-43319,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5c(-c6cccnn6)nc(C)n5C)n34)nc2)cc1,AHBJAQWPVPFCEC-UHFFFAOYSA-N,3,1,0.265,70,301,459.517,4.328,6,0.387,0.61,0.006,0.09564114865327941,0.04166952230827222,0.19896682886710987,0.22853985333424714,0.14120433829072715
EOS-3-43320,Fc1cncc(COc2cncc3nnc(-c4cccc(-c5cnc(C(F)F)cn5)c4)n23)c1F,AKGICHNUCQSSBH-UHFFFAOYSA-N,3,1,0.457,27,343,467.386,4.438,5,0.341,0.68,1.0,0.829895140840244,0.8288414090877938,0.9419076828181756,0.9094904393119047,0.8775336680145295
EOS-3-43321,Cn1cncc1-c1nnc2cncc(OCc3ccc(COc4ccc(Cl)cn4)n3C)n12,FTOGJCMGRGHDSW-UHFFFAOYSA-N,3,1,0.4,7,677,450.89,3.07,5,0.376,0.56,1.0,0.31201596874785825,0.25352100609965045,0.38523747515591805,0.28733465835103833,0.30952727708861627
EOS-3-43322,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)o1,UCGAPPPHWSZIRU-UHFFFAOYSA-N,3,1,0.581,91,655,449.873,5.169,5,0.356,0.75,1.0,0.917269207045439,0.8758738263313001,0.862235282023165,0.8442790076074292,0.8749143307518333
EOS-3-43323,Cn1ncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6nn[nH]c6C(F)F)nc5)n34)c2)n1,BORPYCZWRMVQNW-UHFFFAOYSA-N,3,1,0.277,99,899,472.423,2.766,6,0.401,0.56,0.347,0.14323898293468576,0.17690699746419025,0.36623603591254883,0.33409293400041123,0.255118737577959
EOS-3-43324,COc1ncc(-c2nnc3cncc(OCCc4cnc(C)cn4)n23)cc1-c1cncc(CF)c1,BRMJQDHCCPKSLV-UHFFFAOYSA-N,3,1,0.436,65,822,472.484,3.446,5,0.335,0.66,0.999,0.47970495510931394,0.3870022616681516,0.3033548077582071,0.1853539853334247,0.3388540024672744
EOS-3-43325,CCc1cc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)cc(C)n1,ACNFLMZYOZTWJR-UHFFFAOYSA-N,3,1,0.28,50,155,412.432,3.715,5,0.444,0.7,1.0,0.29370845041463917,0.27913611130148724,0.23088719073401412,0.2141474196422452,0.2544697930230964
EOS-3-43326,Cn1nnnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccnc(F)c5)no4)n23)cc1,QUXLIAANZUVLFY-UHFFFAOYSA-N,3,1,0.473,56,415,471.416,2.145,6,0.329,0.66,1.0,0.5482403536426564,0.5003426769926667,0.08237098211226099,0.092531354944829,0.3058713419231032
EOS-3-43327,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1,ZCEDCPHFTFJFSM-UHFFFAOYSA-N,3,1,0.461,92,728,420.824,2.004,5,0.393,0.58,1.0,0.5046518401754506,0.5738640257693098,0.1444297854842026,0.19613117675279282,0.35476920704543896
EOS-3-43328,Fc1cnc(F)c(Oc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)c1,LNQGJAOUTSCUDV-UHFFFAOYSA-N,3,1,0.438,13,735,426.383,4.519,5,0.393,0.71,1.0,0.8513809882804468,0.8944040847097526,0.8591511890891645,0.8479285175793297,0.8632161949146734
EOS-3-43329,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5F)n34)cn2)n1,WLTMPOLBAZTCAX-UHFFFAOYSA-N,3,1,0.451,63,512,486.471,1.987,6,0.366,0.77,1.0,0.34163182783907886,0.24364334178603247,0.05915461585909122,0.07811322047837709,0.1806357514906449
EOS-3-43330,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)ncc1Cl,ITJIYXUJWWSGTB-UHFFFAOYSA-N,3,1,0.566,59,469,456.865,4.82,5,0.377,0.73,1.0,0.8225018847234596,0.8758823932561168,0.8622438489479817,0.8741604413679666,0.8586971420738811
EOS-3-43332,Fc1cnc(-c2cccnc2F)cc1-c1nnc2cncc(OCc3cc(Cl)ccn3)n12,LHZVISGTKUZCOH-UHFFFAOYSA-N,3,1,0.54,73,338,451.824,4.154,5,0.371,0.61,0.988,0.6407631416626688,0.8057192790076074,0.8191779178945926,0.8425227880200123,0.7770457816462204
EOS-3-43333,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)s1,YCIQYVAZZCYOMU-UHFFFAOYSA-N,3,1,0.329,32,20,466.505,4.881,6,0.365,0.72,1.0,0.21240833390446165,0.37762147899390036,0.3069015146323076,0.37937769858131726,0.31907725652799673
EOS-3-43334,Cn1ccnc1-c1ccccc1-c1nnc2cncc(OCc3cc(F)ncc3F)n12,IHDXFHDZHQSJAU-UHFFFAOYSA-N,3,1,0.471,16,353,419.395,3.444,5,0.406,0.6,1.0,0.7498372284284833,0.5844613117675279,0.6883952436433418,0.6488246179151532,0.6678796004386265
EOS-3-43335,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)c(F)c4)n23)ncn1,SXOGTNKWVCCCMY-UHFFFAOYSA-N,3,1,0.468,27,463,452.4,3.638,5,0.388,0.53,1.0,0.6436416284010692,0.6315279967103009,0.7848245493797547,0.7005174422589268,0.6901279041875129
EOS-3-43336,Cn1cc(-c2cncc3nnc(-c4ncc(F)cc4-c4nccs4)n23)c(-c2ccccc2)n1,REHNTQMXHANTFO-UHFFFAOYSA-N,3,1,0.279,30,945,454.494,4.516,6,0.389,0.61,1.0,0.10560448221506408,0.18116475909807417,0.2961328901377562,0.3793862655061339,0.2405720992392571
EOS-3-43337,Cc1nc(COc2cncc3nnc(-c4cccc(-c5ccnn5C)c4)n23)ccc1F,ZZGIJFFYFGYJCF-UHFFFAOYSA-N,3,1,0.517,4,506,415.432,3.613,5,0.436,0.65,1.0,0.41163217051607154,0.3728154341717497,0.5636865190871085,0.4612175313549448,0.4523379137824687
EOS-3-43338,FC(F)c1ccc(-c2nnc3cncc(-c4cccnc4-c4cccc(Cl)c4)n23)cn1,BSOMFHKTPCYDRY-UHFFFAOYSA-N,3,1,0.373,96,46,434.837,5.506,5,0.373,0.79,0.969,0.34164039476389557,0.5459358508669728,0.9370159687478583,0.9459598382564595,0.6926380131587966
EOS-3-43339,COc1ncc(-c2nnc3cncc(OCc4cc(C)no4)n23)cc1-c1cccc(C#N)n1,UXEBILCMMWTIBF-UHFFFAOYSA-N,3,1,0.495,55,205,440.423,3.004,5,0.387,0.61,1.0,0.44370673702967584,0.3149972585840587,0.2816719210472209,0.16109245425262148,0.30036709272839424
EOS-3-43340,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)c(C)n1,JTXFNJOKIVEDKA-UHFFFAOYSA-N,3,1,0.488,55,567,416.47,3.296,5,0.43,0.66,1.0,0.3831471455006511,0.3293040230278939,0.12123055308066616,0.07990370776506066,0.22839635734356795
EOS-3-43341,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cnc2Cl)ncn1,KQRPSEZJZADPJM-UHFFFAOYSA-N,3,1,0.406,7,94,466.292,3.628,5,0.358,0.64,1.0,0.6009612089644302,0.685165512987458,0.42856898087862383,0.45498937701322734,0.5424212699609348
EOS-3-43342,COc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3)n12,WMQMSVOMJIVZMU-UHFFFAOYSA-N,3,1,0.309,64,27,480.467,3.254,6,0.366,0.68,1.0,0.2964755671304229,0.3390360496196285,0.2523816050990336,0.287343225275855,0.29380911178123503
EOS-3-43343,Cc1ccc(-c2nnc3cncc(C(F)c4nncc(-c5cccc(Cl)c5F)n4)n23)cc1,AKOBSZHSIABMFO-UHFFFAOYSA-N,3,1,0.402,14,358,449.852,4.803,5,0.392,0.63,1.0,0.37397196902199986,0.5844698786923446,0.8692601603728326,0.8783325337536838,0.6765086354602152
EOS-3-43344,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)c(Cl)n1,HXYTVQYCJDXTJJ-UHFFFAOYSA-N,3,1,0.468,58,28,462.876,3.761,5,0.351,0.61,1.0,0.787317524501405,0.8133866767185252,0.23794633678294838,0.29648413405523955,0.5337836680145296
EOS-3-43345,CCn1ncnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccn1,BPVLEEQWWIQNHF-UHFFFAOYSA-N,3,1,0.489,65,359,465.88,3.274,5,0.36,0.58,0.994,0.4747104379411966,0.41553012130765543,0.23089575765883077,0.2964927009800562,0.3544072544719348
EOS-3-43346,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)c(F)cn1,GYGHHMJFOIGSDP-UHFFFAOYSA-N,3,1,0.426,18,840,436.447,4.21,5,0.371,0.63,1.0,0.6921132890137757,0.5792097868549105,0.7378692344595984,0.727511822356247,0.6841760331711328
EOS-3-43347,Cc1cc(CCOc2cncc3nnc(-c4cncc(-c5sc(C)nc5C)c4)n23)ncn1,UDSFBTPYYHWIQF-UHFFFAOYSA-N,3,1,0.451,87,349,444.524,3.647,5,0.391,0.61,1.0,0.33919882119114525,0.20318175587691042,0.08237954903707766,0.0479833458981564,0.16818586800082244
EOS-3-43348,Cc1ncc(-c2nn[nH]c2-c2cncc3nnc(-c4ccc(-c5nnn(C)n5)cn4)n23)cn1,RSURHTJQUGYZTJ-UHFFFAOYSA-N,3,1,0.231,99,286,438.419,0.927,6,0.416,0.51,0.868,0.039579192653005274,0.05629326297032417,0.013004591871701734,0.00954355424576794,0.02960515043519978
EOS-3-43349,FCc1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccc4)n23)c(F)c1,MVQASGOMMQKDLJ-UHFFFAOYSA-N,3,1,0.5,1,709,435.459,5.102,5,0.371,0.78,1.0,0.8690374203275992,0.8288499760126106,0.7454509629223494,0.7564080597628675,0.7999366047563566
EOS-3-43350,CCOc1nccnc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)c1,LRIHMFWVZQAKAF-UHFFFAOYSA-N,3,1,0.309,42,725,476.504,3.505,6,0.355,0.65,1.0,0.2452110890274827,0.12729593585086696,0.1921989582619423,0.14789939003495306,0.17815134329381127
EOS-3-43351,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccnnc5-c5ccccc5)n34)cn2)n1,NGLFYWDUKMQRGU-UHFFFAOYSA-N,3,1,0.325,30,93,446.449,4.511,6,0.368,0.6,1.0,0.31715612363785894,0.3728240010965664,0.5833733123158111,0.6342694126516346,0.47690571242546775
EOS-3-43352,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cc(F)ccc5F)nc4)n23)cc1F,ZWBVZMNZRQCRTQ-UHFFFAOYSA-N,3,1,0.471,57,236,433.393,5.371,5,0.381,0.74,1.0,0.937024535672675,0.9393890069220753,0.9686022205469125,0.9650126790487287,0.9525071105475978
EOS-3-43353,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccon5)s4)n23)cn1,USIJHQQSZITASU-UHFFFAOYSA-N,3,1,0.456,6,34,457.479,3.277,6,0.371,0.63,1.0,0.37159036392296624,0.2791446782263039,0.07367555342334316,0.059060379686107875,0.1958677438146803
EOS-3-43354,Cn1nc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4Cl)n23)s1,UVCAZGBHRMGJGZ-UHFFFAOYSA-N,3,1,0.476,36,202,424.877,3.276,5,0.427,0.58,1.0,0.34864813926392985,0.5792183537797272,0.20612021108902748,0.2934600095949558,0.3568616784319101
EOS-3-43355,Cc1cnc(-c2ccc(OCc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)nn1,JIZYTGFOMRAHNQ-UHFFFAOYSA-N,3,1,0.318,33,647,480.492,2.213,6,0.368,0.61,1.0,0.2585926255911178,0.11095024330066479,0.02235967377150298,0.018624494551435816,0.10263175930368035
EOS-3-43356,CNC(=O)c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cn1,VNWVBDUZJXAVDA-UHFFFAOYSA-N,3,1,0.341,82,880,409.413,2.065,5,0.478,0.69,0.812,0.14886745253923653,0.045327599204989376,0.07368412034815983,0.07036872044410938,0.08456197313412378
EOS-3-43357,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)c(F)c1,LAAQXBOJXZGJIL-UHFFFAOYSA-N,3,1,0.446,73,526,454.828,3.492,5,0.375,0.58,1.0,0.6466657528613529,0.6949575080529093,0.6557381262422041,0.6543759851963539,0.662934343088205
EOS-3-43358,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4nc(-c5ccsc5)ns4)n23)c1,DTLQGEZIIVTAHC-UHFFFAOYSA-N,3,1,0.321,39,449,458.507,4.634,6,0.38,0.68,0.992,0.1679202933315057,0.24865499280378314,0.1630285792611884,0.3027208553217737,0.22058118017956274
EOS-3-43359,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)c4)n23)c(-c2nnnn2C)n1,MMELMOXZSIAUEM-UHFFFAOYSA-N,3,1,0.443,36,250,480.496,2.06,6,0.348,0.71,1.0,0.31202453567267496,0.18531115070934137,0.028630662737303816,0.025786443698170104,0.13793819820437256
EOS-3-43360,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)s5)n34)cc2)ccn1,SORRVXGUBDKHCQ-UHFFFAOYSA-N,3,1,0.329,38,818,433.5,5.039,6,0.387,0.72,1.0,0.12974607634843396,0.19865841957370983,0.6666866561579056,0.6746538962374066,0.417436262079364
EOS-3-43361,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cc5)n34)cn2)cn1,OXXNUTKDSUANRM-UHFFFAOYSA-N,3,1,0.333,9,57,448.465,4.455,6,0.37,0.6,1.0,0.16528168048797204,0.25352957302446716,0.7119799876636282,0.6836063326708245,0.45359939346172296
EOS-3-43362,Clc1ncc(CCOc2cncc3nnc(-c4cc(-c5cncs5)ncn4)n23)cn1,BCIRMFVUDUTDRN-UHFFFAOYSA-N,3,1,0.44,18,194,437.876,2.77,5,0.369,0.57,0.904,0.57507196216846,0.5459444177917895,0.1323418545678843,0.15298814337605374,0.3515865944760469
EOS-3-43363,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)c2)n1C,XVBKHFSZJWVYIR-UHFFFAOYSA-N,3,1,0.524,67,755,477.532,3.875,6,0.359,0.69,1.0,0.4437153039544925,0.20319032280172708,0.23090432458364746,0.1799225549996573,0.26443312658488105
EOS-3-43364,Fc1ccccc1-c1nnc2cncc(OCc3cccnc3-c3nc(Cl)ccc3F)n12,YVJVGBNEUJVISR-UHFFFAOYSA-N,3,1,0.511,59,146,450.836,4.759,5,0.359,0.68,1.0,0.8735093550818998,0.9036220958124872,0.8283959289973272,0.8680179562744157,0.8683863340415324
EOS-3-43365,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)c(F)cn1,YSZYWAHKDBRZAU-UHFFFAOYSA-N,3,1,0.506,73,325,435.369,3.64,5,0.389,0.54,1.0,0.9582790761428278,0.9141251456377218,0.8591597560139812,0.8346754848879446,0.891559865670619
EOS-3-43366,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3cccc(-c4cncs4)n3)n12,JXPPHHZOFXTRJT-UHFFFAOYSA-N,3,1,0.614,11,275,452.902,4.724,5,0.371,0.67,1.0,0.8420516071550956,0.937898362003975,0.6443612500856692,0.7031731889520938,0.7818711020492084
EOS-3-43367,CC1(O)CN(C(=O)c2cnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)cc5)n34)cn2)C1,DYHYXVGMESDBLW-UHFFFAOYSA-N,3,1,0.35,52,376,482.479,2.656,6,0.415,0.7,1.0,0.390060653827702,0.36812932629703243,0.08238811596189431,0.1768984305393736,0.2543691316565006
EOS-3-43368,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cc2F)nc1,XAFGXNIIIFPJLF-UHFFFAOYSA-N,3,1,0.524,73,82,469.814,4.293,5,0.354,0.65,1.0,0.9726029744362964,0.9447005003084092,0.9022770886162703,0.9049842368583373,0.9311412000548283
EOS-3-43369,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4F)n23)c(Cl)c1,NAWKISGMQUHOHC-UHFFFAOYSA-N,3,1,0.538,57,146,449.848,5.364,5,0.361,0.78,1.0,0.8958518950037695,0.9564286203824275,0.9722859982180796,0.9783171132890138,0.9507209067233225
EOS-3-43370,C#Cc1cncc(COc2cncc3nnc(-c4cc(-c5csc(C)n5)ncn4)n23)c1,ZGYZZDZGFPWAOB-UHFFFAOYSA-N,3,1,0.444,31,395,426.465,2.969,5,0.395,0.6,0.838,0.41831437187307247,0.1986669864985265,0.25239017202385033,0.19897539579192652,0.2670867315468439
EOS-3-43371,Cc1cnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cc1F,LLWNOQMCUSUAJO-UHFFFAOYSA-N,3,1,0.583,35,393,460.9,4.971,5,0.356,0.69,1.0,0.8094116236035912,0.8460095264203962,0.8531714755671305,0.8462922349393461,0.838721215132616
EOS-3-43372,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)nc1)N1CCC(F)(F)C1,VCXMZXWBWBCCPK-UHFFFAOYSA-N,3,1,0.287,52,821,485.458,3.187,6,0.381,0.74,0.999,0.09804845452676307,0.08874477417586184,0.07139675142210952,0.16887978891097252,0.10676744225892673
EOS-3-43373,Cc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc1-c1ccc(C#N)cn1,AFWGPSJQUUSBJZ-UHFFFAOYSA-N,3,1,0.424,46,564,472.871,4.195,5,0.374,0.66,0.999,0.8119731341237749,0.7592865465012679,0.7887567678706051,0.7762833253375369,0.7840749434582962
EOS-3-43374,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5cccnc5F)n34)nn2)c1,ZMAJRCYGNXYTRC-UHFFFAOYSA-N,3,1,0.345,30,20,464.439,4.651,6,0.351,0.66,0.696,0.22628675210746352,0.35350558563498047,0.685705229250908,0.7589781372078679,0.506118926050305
EOS-3-43375,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)ncn4)n23)c(Cl)c1,UUJFNZNBVZWHMN-UHFFFAOYSA-N,3,1,0.387,13,971,454.252,4.882,5,0.358,0.69,1.0,0.6291549585360839,0.694966074977726,0.8733551504351997,0.9128144061407717,0.7775726475224454
EOS-3-43376,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2Cl)nc1,OCVXJLNNAPKARW-UHFFFAOYSA-N,3,1,0.543,73,82,468.279,4.668,5,0.37,0.65,1.0,0.9663833870193955,0.9253735179220067,0.8337588239325612,0.8770046604071002,0.9006300973202659
EOS-3-43377,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc(=O)n2C)nn1,WWTSUZTZGFQSIC-UHFFFAOYSA-N,3,1,0.459,58,639,474.912,2.925,5,0.345,0.67,0.994,0.4207559454458228,0.41082687958330477,0.2164690562675622,0.23421115756288122,0.3205657597148927
EOS-3-43378,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)cn1,NWVARDDRFBZFSJ-UHFFFAOYSA-N,3,1,0.494,24,577,465.395,3.132,5,0.381,0.6,1.0,0.7438746487560826,0.7464789939003496,0.8622524158727983,0.8124785826879584,0.7912711603042972
EOS-3-43379,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nnc(CO)o5)c(F)n4)n23)n(C)n1,ADMPRCQQMWOFID-UHFFFAOYSA-N,3,1,0.367,53,662,437.395,1.489,5,0.388,0.59,0.75,0.40481289836200396,0.3681378932218491,0.04463367829483929,0.029530189843053938,0.21177866493043657
EOS-3-43380,Cc1ccc(F)c(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)n1,SNUDGAVEVUGHDU-UHFFFAOYSA-N,3,1,0.489,11,275,460.9,4.971,5,0.356,0.7,1.0,0.8690459872524159,0.8729011034199163,0.7093242409704612,0.7331231581111645,0.7960986224384895
EOS-3-43381,COc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)nc2C)cn1,WYTKYFUVYPDPBG-UHFFFAOYSA-N,3,1,0.511,13,573,462.872,5.15,5,0.357,0.75,1.0,0.8119817010485916,0.7722140360496196,0.8246693167020767,0.7642639298197519,0.79328224590501
EOS-3-43382,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4Cl)n23)cc1-c1ccccc1,GDESJIYEQDIYAV-UHFFFAOYSA-N,3,1,0.437,13,616,437.29,5.291,5,0.382,0.79,1.0,0.3464464395860462,0.42449112466588995,0.7710318004249195,0.8600078815708313,0.6004943115619218
EOS-3-43383,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(F)n4)n23)c(Cl)n1,WWRWYDAWSKYXJV-UHFFFAOYSA-N,3,1,0.407,7,94,451.853,3.231,5,0.362,0.58,1.0,0.467171544102529,0.504951682544034,0.19897539579192652,0.2285484202590638,0.3499117606743883
EOS-3-43384,NC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)s4)n23)c(C(F)F)c1,PTHBIDBYARNXML-UHFFFAOYSA-N,3,1,0.49,89,676,479.472,3.925,5,0.375,0.73,0.989,0.46963881844972927,0.420002056061956,0.5506733602905901,0.42975978342814064,0.46751850455760396
EOS-3-43385,Cc1ccc(-c2nnc3cncc(-c4c(-c5cccc(Cl)c5)nc(C)n4C)n23)nc1,ZBCGKCNSMCWXEI-UHFFFAOYSA-N,3,1,0.327,74,776,415.888,4.524,5,0.433,0.75,1.0,0.12975464327325065,0.20319888972654376,0.3217051607155096,0.41700363237612226,0.26791558152285655
EOS-3-43386,Clc1ccc(-c2nnc3cncc(OCc4nc(Cl)nc(Cl)c4Cl)n23)nc1,NYYRWNSFZXQQRV-UHFFFAOYSA-N,3,1,0.409,90,244,443.081,4.169,4,0.346,0.66,0.998,0.6125094236172983,0.7722226029744363,0.6113957233911316,0.8225018847234596,0.7046574086765814
EOS-3-43387,Cc1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5ccc(Cl)nc5)cn4)n23)cc1,AGEVTRLSNQHAJN-UHFFFAOYSA-N,3,1,0.517,89,731,453.893,3.917,5,0.301,0.69,1.0,0.8041429648413405,0.8057278459324241,0.7328918511411144,0.6746624631622233,0.7543562812692756
EOS-3-43388,Fc1ccc(F)c(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ncn2)c1,BYCWUHGWSDHXFA-UHFFFAOYSA-N,3,1,0.404,44,488,453.359,3.779,5,0.374,0.56,0.793,0.7702436433417861,0.6608954149818381,0.9279778630662737,0.9298283188266739,0.822236310054143
EOS-3-43389,CCc1cc(COc2cncc3nnc(-c4ccc(-c5csc(C)n5)c(F)n4)n23)ncn1,DEDVDBLSSFIDRW-UHFFFAOYSA-N,3,1,0.406,31,690,448.487,3.689,5,0.362,0.61,0.677,0.4007436090740868,0.4958022068398328,0.16303714618600507,0.11626173668699884,0.2939611746967309
EOS-3-43390,C#Cc1ncc(CCOc2cncc3nnc(-c4csc(-c5cncnn5)c4)n23)cn1,IPUNTWHBZNJHCV-UHFFFAOYSA-N,3,1,0.455,65,986,427.453,2.098,5,0.375,0.59,1.0,0.5020646288808169,0.29488211911452267,0.11532794188198205,0.09853676924131313,0.2527028647796587
EOS-3-43391,Fc1ccncc1COc1cncc2nnc(-c3ccc(F)c(-c4ccccc4)c3)n12,GRJCUYINCFVVJD-UHFFFAOYSA-N,3,1,0.543,57,962,415.403,4.711,5,0.416,0.77,1.0,0.9582876430676445,0.8890840243986019,0.937024535672675,0.9403570694263587,0.93118831814132
EOS-3-43392,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cccc(Cl)n1,KLUHVCQBKQLNHV-UHFFFAOYSA-N,3,1,0.472,97,383,450.911,4.551,5,0.35,0.72,1.0,0.7584298540196012,0.6656072236310054,0.5672931944349257,0.5182218490850524,0.6273880302926462
EOS-3-43393,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nc2F)no1,QMQLCTPZQHLILB-UHFFFAOYSA-N,3,1,0.389,46,564,456.8,3.45,5,0.366,0.61,1.0,0.6774210129531903,0.5985710369405798,0.4855732986087314,0.5182304160098691,0.5699489411280926
EOS-3-43394,CCn1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2F)cc1=O,FPBVZFXQOPXBCA-UHFFFAOYSA-N,3,1,0.489,16,772,477.887,3.801,5,0.366,0.69,1.0,0.7011942293194435,0.6178209170036324,0.6501353574121034,0.663139949283805,0.6580726132547461
EOS-3-43395,COc1ncc(F)cc1CCOc1cncc2nnc(-c3cc(F)cc(-c4cnc(C)o4)c3)n12,RHRNCEHCQJQPSH-UHFFFAOYSA-N,3,1,0.533,35,439,464.432,4.058,5,0.356,0.64,1.0,0.8299037077650606,0.6129891714070317,0.617546775409499,0.4887344938660818,0.6372935371119183
EOS-3-43396,Cn1cncc1-c1cccc(-c2nnc3cncc(CCc4cccc(Cl)c4)n23)c1,MBKWGELXPVBRNC-UHFFFAOYSA-N,3,1,0.443,14,886,414.9,4.63,5,0.42,0.78,1.0,0.2665512987458022,0.34887087930916316,0.7093328078952779,0.7616510177506682,0.5216015009252278
EOS-3-43397,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5csc(C)n5)cn4)n23)cc1,WYZVAEHTWRRUJR-UHFFFAOYSA-N,3,1,0.57,89,92,414.494,4.506,5,0.421,0.78,1.0,0.4369131656500583,0.46434445891302856,0.4360479062435748,0.3341015009252279,0.41785175793297236
EOS-3-43398,Cc1nc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(Cl)n5)c4)n23)cs1,JBKHVTSJYJJGBY-UHFFFAOYSA-N,3,1,0.523,4,92,452.902,4.99,5,0.349,0.81,1.0,0.631913508327051,0.6851740799122746,0.6528596395038038,0.6631485162086218,0.6582739359879378
EOS-3-43399,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)nc5)n34)cn2)n(C)n1,CBLQEBOSYHHRLM-UHFFFAOYSA-N,3,1,0.312,70,191,450.531,4.686,6,0.387,0.64,1.0,0.11033342471386472,0.1488503186896032,0.3143204715235419,0.29054725515728874,0.21601286752107463
EOS-3-43400,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)n(C)n1,BXYBVLFOVSVPBG-UHFFFAOYSA-N,3,1,0.322,38,193,450.531,4.686,6,0.387,0.63,1.0,0.054691248029607294,0.10420807346994723,0.1727177712288397,0.20797066684942772,0.1348969398944555
EOS-3-43401,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5ccc(F)cn5)n34)c2)cn1,JTLZGDAETFBONL-UHFFFAOYSA-N,3,1,0.386,14,351,413.416,3.67,5,0.434,0.66,1.0,0.532777054348571,0.5792269207045438,0.5960951956685628,0.5080015077787677,0.5540251696251113
EOS-3-43402,Cn1nccc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4Cl)n23)cn1,MHQGFNBCXUALET-UHFFFAOYSA-N,3,1,0.296,70,72,472.925,3.821,6,0.38,0.63,1.0,0.06730176135974231,0.17248646425878966,0.29614145706257283,0.382504626139401,0.22960857720512645
EOS-3-43403,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)c1,NNDYEGRFKHBHRO-UHFFFAOYSA-N,3,1,0.5,34,630,467.867,4.58,5,0.34,0.71,1.0,0.5070591460489343,0.5985796038653964,0.745459529847166,0.7739359879377699,0.6562585669248167
EOS-3-43404,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(Cl)c5F)cc4F)n23)cc1,LRFVLBBHGMCRTO-UHFFFAOYSA-N,3,1,0.392,83,3,475.886,5.417,5,0.377,0.85,1.0,0.41380816941950516,0.49581077376464944,0.9573452813378109,0.9533616612980604,0.7050814714550064
EOS-3-43405,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)n(C)n1,MYLUCJITPIAJGU-UHFFFAOYSA-N,3,1,0.484,65,658,413.445,2.307,5,0.417,0.68,1.0,0.38539167980261807,0.2535381399492838,0.08239668288671098,0.05324343773559043,0.19364248509355084
EOS-3-43406,CCn1nc(C(F)F)nc1-c1cncc2nnc(-c3ccc(C(C)C)nc3OC)n12,FICSJIVYPWNUOV-UHFFFAOYSA-N,3,1,0.318,78,792,414.42,3.534,4,0.476,0.65,0.579,0.22061544787882942,0.309934206017408,0.05731272702350764,0.017562195874169007,0.1513561441984785
EOS-3-43407,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)c1F,OOEWQBJKIYSQPI-UHFFFAOYSA-N,3,1,0.477,97,606,435.459,5.08,5,0.385,0.72,1.0,0.8536769241313138,0.7972380234391063,0.8883301350147351,0.8648995956411486,0.851036169556576
EOS-3-43408,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nnc1F,ZLBHVKUWUGKFAU-UHFFFAOYSA-N,3,1,0.593,34,232,451.824,4.154,5,0.396,0.53,1.0,0.9615687752724282,0.9660492769515455,0.864993831814132,0.8812195874169009,0.9184578678637516
EOS-3-43409,CCc1cnc(-c2cc(-c3nnc4cncc(OCc5cn(C)nc5OC)n34)ccn2)cn1,RFNLRDUTCWDPSJ-UHFFFAOYSA-N,3,1,0.446,7,99,443.471,2.527,5,0.374,0.56,1.0,0.15428174902337058,0.0751576314166267,0.06944349256390926,0.024844081968336647,0.0809317387430608
EOS-3-43410,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5scnc5Cl)n34)nc2)nc1,OSBKYKWPKGLPJO-UHFFFAOYSA-N,3,1,0.449,18,262,450.915,3.683,5,0.386,0.6,1.0,0.6407717085874854,0.7142416558152286,0.1045079158385306,0.13393530258378453,0.39836414570625733
EOS-3-43411,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2Cl)cn1,IKPGKKQSHZIMPX-UHFFFAOYSA-N,3,1,0.511,16,772,464.316,4.838,5,0.368,0.69,1.0,0.8015643204715236,0.7890309094647385,0.7802412446028374,0.8036803509012405,0.7936292063600849
EOS-3-43412,Clc1cccc(-c2cnc(-c3cncc4nnc(-c5cncnc5-c5cccnc5)n34)cn2)n1,LMZBBWINXAUARM-UHFFFAOYSA-N,3,1,0.293,94,443,464.88,3.816,6,0.358,0.61,0.999,0.19586560208347611,0.2638098828044685,0.33285929682681104,0.4234031252141731,0.30398447673223217
EOS-3-43413,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnn2)nc1,HYHDEERSSLRJCP-UHFFFAOYSA-N,3,1,0.538,58,778,414.404,2.799,5,0.418,0.64,0.995,0.7197673223219793,0.6512147899390035,0.3181070522925091,0.33411006785004455,0.5057998081008841
EOS-3-43414,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c(F)n2)n1,OSYUKHVWKRILNE-UHFFFAOYSA-N,3,1,0.437,7,185,439.802,1.538,5,0.371,0.55,0.943,0.4028425056541704,0.4908762250702488,0.06318963744774175,0.0945017476526626,0.26285252895620587
EOS-3-43415,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cnn1,XQZXFKFDGZDZSY-UHFFFAOYSA-N,3,1,0.5,58,56,414.404,2.799,5,0.418,0.66,1.0,0.8668528544993489,0.8586286066753478,0.3398841751764787,0.3341186347748612,0.5998710677815091
EOS-3-43416,CCc1nc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)ccc1-c1cncn1C,MMJDQACTHDFTAR-UHFFFAOYSA-N,3,1,0.392,31,717,448.437,3.401,5,0.367,0.56,0.85,0.4821036940579809,0.4380182989514084,0.4855818655335481,0.4202933315057227,0.45649929751216506
EOS-3-43417,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnco6)c5)n34)cc2)nc1,UBOZGRBWABEWIR-UHFFFAOYSA-N,3,1,0.319,69,695,416.444,5.175,6,0.394,0.85,1.0,0.17597320265917346,0.09789424988006305,0.7502998423685834,0.7513021725721335,0.4438673668699883
EOS-3-43418,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)cn2)cc1,KJSJZHILYOVELH-UHFFFAOYSA-N,3,1,0.375,32,20,451.877,5.224,6,0.362,0.78,0.999,0.18759851963539168,0.377630045918717,0.72501028030978,0.7833767390857378,0.5184038962374067
EOS-3-43419,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(Cl)n1,JCJQDKSPUKEIOB-UHFFFAOYSA-N,3,1,0.461,55,62,453.293,3.868,5,0.373,0.59,1.0,0.6620519498320883,0.5691179494208759,0.4646357343567953,0.5380371461860051,0.5584606949489411
EOS-3-43420,Fc1cc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5F)n34)cn2)ccn1,DPWLABKPJCWJAD-UHFFFAOYSA-N,3,1,0.279,94,72,466.415,3.441,6,0.36,0.55,1.0,0.2937170173394558,0.3488794462339799,0.6381844972928518,0.6717754094990063,0.48813909259132343
EOS-3-43421,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccccc5C)n34)ccc2F)s1,ITCFNRMPXIFSJM-UHFFFAOYSA-N,3,1,0.549,1,521,431.496,5.25,5,0.38,0.77,1.0,0.8443903776300459,0.797246590363923,0.7710403673497361,0.7059146048934275,0.7796479850592832
EOS-3-43422,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)c2)nc1,ZHSAADBFQXHWOI-UHFFFAOYSA-N,3,1,0.456,44,692,466.398,4.985,5,0.34,0.74,1.0,0.7957816462202728,0.70007196216846,0.9878349667603317,0.9730313206771297,0.8641799739565486
EOS-3-43423,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5CO)cc4F)n23)cc1,ANOQHFGJQGZREZ-UHFFFAOYSA-N,3,1,0.37,0,862,460.469,2.068,5,0.405,0.58,0.995,0.35543314371873075,0.382453224590501,0.631990610650401,0.49169008292783223,0.4653917654718662
EOS-3-43424,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1Cl,QGVVHDHLQQZRHN-UHFFFAOYSA-N,3,1,0.539,26,619,450.955,5.011,5,0.348,0.73,1.0,0.652542663285587,0.6129977383318485,0.5833818792406278,0.5805033925022274,0.6073564183400726
EOS-3-43426,COc1cc(-c2nnc3cncc(COc4nnc(C(F)F)s4)n23)ccc1-c1cncn1C,FWIJKWDKCUAISO-UHFFFAOYSA-N,3,1,0.362,36,224,470.465,3.569,5,0.356,0.61,1.0,0.39861901171955316,0.4244996915907066,0.31811561921732573,0.18271537248989103,0.3309874237543692
EOS-3-43427,Cn1cncc1-c1cncc(COc2cncc3nnc(-c4ccc(F)c(Br)c4)n23)c1,KUBCMZHKWKLQLA-UHFFFAOYSA-N,3,1,0.554,16,772,480.301,4.067,5,0.377,0.67,1.0,0.8145603454184086,0.7142502227400452,0.7997652662600233,0.7488520320745665,0.7693569666232609
EOS-3-43428,Cn1cc(-c2cccnc2Cl)nc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,SHEXZBACCVJHGN-UHFFFAOYSA-N,3,1,0.329,42,818,454.881,4.562,6,0.36,0.65,0.973,0.1679288602563224,0.32486635597285995,0.48559043245836475,0.5416181207593722,0.3800009423617298
EOS-3-43429,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)nc5F)n34)cn2)cn1,ZVOCBSOTGLTQML-UHFFFAOYSA-N,3,1,0.42,55,283,418.367,3.417,5,0.409,0.6,1.0,0.7528185182646837,0.7506682201357001,0.5571842231512576,0.47954218353779726,0.6350532862723597
EOS-3-43430,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(C(F)(F)F)nn5)n34)nn2)ccn1,JYNKGZLLPZMHAW-UHFFFAOYSA-N,3,1,0.313,53,542,439.336,3.258,5,0.311,0.64,0.89,0.25569700500308407,0.40144609690905353,0.8665016105818656,0.7993540538688233,0.5807496915907067
EOS-3-43431,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)c(F)c4F)n23)cc1F,BUKNEPZGFIKCLX-UHFFFAOYSA-N,3,1,0.315,96,648,480.475,4.749,5,0.393,0.74,1.0,0.33458124871496125,0.37763861284353367,0.8371770269344116,0.8014700842985402,0.5877167431978617
EOS-3-43433,Fc1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4Cl)n23)cc1-c1cccnn1,LIVGHQFJLXJBQX-UHFFFAOYSA-N,3,1,0.5,59,772,468.279,4.668,5,0.346,0.71,1.0,0.9187084504146391,0.9141337125625385,0.893024809814269,0.9182972380234391,0.9110410527037214
EOS-3-43434,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)c2)o1,PCDNXQISHUFRRN-UHFFFAOYSA-N,3,1,0.511,11,655,450.861,4.564,5,0.35,0.68,1.0,0.8647025563703653,0.7890394763895552,0.6666952230827222,0.643024809814269,0.7408655164142279
EOS-3-43435,Cc1ccncc1-c1ccc(-c2nnc3cncc(-c4cnc(C)c(F)c4)n23)c(F)c1,FMYPNENVZXJREO-UHFFFAOYSA-N,3,1,0.325,96,478,414.419,4.81,5,0.424,0.77,1.0,0.3623552189705983,0.47299705297786304,0.902285655541087,0.8826245630868343,0.6550656226440956
EOS-3-43436,N#Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)nc5)n34)nc2)cn1,XOTDISJTZWSBSW-UHFFFAOYSA-N,3,1,0.369,55,412,411.36,2.841,5,0.41,0.73,1.0,0.7228428483311631,0.7592951134260846,0.5740182304160099,0.5080100747035844,0.6410415667192104
EOS-3-43437,COc1ncc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1cncc(F)c1,DIZVGRQBIKZYEE-UHFFFAOYSA-N,3,1,0.489,35,657,461.432,3.552,5,0.339,0.65,1.0,0.8420601740799123,0.7374237543691317,0.6857137961757248,0.5926512918922624,0.7144622541292578
EOS-3-43438,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(Cl)c4)n23)ncc1-c1ccccn1,UFXXZUKMINCGRG-UHFFFAOYSA-N,3,1,0.44,59,16,462.872,4.628,5,0.363,0.63,0.999,0.8251319306421767,0.7142587896648619,0.807638270166541,0.7789219381810705,0.7814877321636625
EOS-3-43439,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(F)n5)cn4)n23)cn1,RBYOHBMHZWUWEZ-UHFFFAOYSA-N,3,1,0.46,7,535,415.392,2.46,5,0.427,0.61,1.0,0.6206822698923994,0.6364882461791516,0.252398738948667,0.2079792337742444,0.4293871221986156
EOS-3-43440,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)ccn2)s1,WCDBURRUUCMEHD-UHFFFAOYSA-N,3,1,0.5,75,241,468.905,3.822,5,0.346,0.67,0.996,0.7438832156808992,0.7421184291686657,0.25930368035090123,0.3244380097320266,0.5174358337331232
EOS-3-43441,Cc1cc(-c2nnc3cncc(Oc4ccc(-c5cccc(C#N)c5)cn4)n23)ccc1Cl,JLDBQRRTZVMMBI-UHFFFAOYSA-N,3,1,0.43,1,417,438.878,5.479,5,0.369,0.81,1.0,0.8555787814406141,0.9141422794873553,0.9320043177301076,0.9287917209238572,0.9076292748954835
EOS-3-43442,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)n4)n23)n1,MVYHDHNUJNAMDO-UHFFFAOYSA-N,3,1,0.419,46,122,416.42,3.008,5,0.406,0.67,1.0,0.4278750599684737,0.4108354465081214,0.355193269823864,0.26968679322870265,0.36589764238229044
EOS-3-43443,Clc1cccc(-n2ncc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)n2)n1,HJWPAXVRVSZAPY-UHFFFAOYSA-N,3,1,0.279,10,935,452.869,3.544,6,0.373,0.55,1.0,0.030018504557604003,0.144986635597286,0.159867384003838,0.26701391268590224,0.15047160921115754
EOS-3-43444,c1cnc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)cn1,WFJXJYXZIJRYKC-UHFFFAOYSA-N,3,1,0.365,80,584,451.414,1.192,6,0.384,0.5,0.997,0.3739805359468165,0.3441333698855459,0.029804331437187307,0.024852648893153313,0.19319272154067577
EOS-3-43445,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)c2)nn1,AMBDWPMUJDQKOI-UHFFFAOYSA-N,3,1,0.473,81,218,474.488,3.383,6,0.354,0.6,1.0,0.3120331025974916,0.29974813241038994,0.1759046672606401,0.1504180659310534,0.23452599204989377
EOS-3-43446,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5cncc(Cl)c5)cs4)n23)c(F)c1,NYLHUQZZKNBMLX-UHFFFAOYSA-N,3,1,0.473,4,436,452.902,4.99,5,0.374,0.78,1.0,0.6953344527448427,0.8323367144129943,0.6776266191487903,0.7222602974436296,0.7318895209375643
EOS-3-43447,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cnn2)c1,RICGHNRISHIXJV-UHFFFAOYSA-N,3,1,0.527,84,778,449.396,3.682,5,0.391,0.53,1.0,0.8668614214241656,0.8391816873415119,0.8607103694057981,0.8649081625659654,0.8579154101843602
EOS-3-43448,c1cnnc(-c2cc(-c3cncc4nnc(-c5cnc(-c6cncnc6)cn5)n34)cnn2)c1,NZACDCHJGPIYAI-UHFFFAOYSA-N,3,1,0.23,86,719,432.411,1.952,6,0.402,0.48,0.987,0.07516619834144335,0.06425193612500857,0.12944623397985058,0.1529967103008704,0.1054652696867932
EOS-3-43449,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5nnc6ncccn56)cn4)n23)cc1Cl,VRAILYVLWPYDQO-UHFFFAOYSA-N,3,1,0.424,13,412,476.287,4.39,6,0.369,0.72,1.0,0.7470187101637996,0.8288585429374272,0.5201579740936193,0.6543845521211706,0.6876049448290042
EOS-3-43450,Cc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)nn1,BIMSLVJUTPRREW-UHFFFAOYSA-N,3,1,0.321,3,270,477.919,4.729,6,0.358,0.74,0.937,0.2533068329792338,0.28444760468782126,0.49229833458981564,0.5282108834212871,0.3895659139195395
EOS-3-43451,Fc1cc(Cl)cc(OCc2cncc3nnc(-c4cc(-c5ccoc5)ncn4)n23)c1,RNNMWPOPWUILOU-UHFFFAOYSA-N,3,1,0.354,44,767,422.807,4.213,5,0.419,0.6,1.0,0.4509372215749435,0.4816667808923309,0.7665341648961689,0.805830649030224,0.6262422040984168
EOS-3-43452,FCCn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,VVKHITASUNNALQ-UHFFFAOYSA-N,3,1,0.634,43,11,466.879,4.996,5,0.338,0.78,1.0,0.6556096223699541,0.6705503392502228,0.879900280995134,0.8854859159756014,0.772886539647728
EOS-3-43453,c1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cs2)ccn1,JUKRZDUVWOURFN-UHFFFAOYSA-N,3,1,0.457,80,34,455.463,3.334,6,0.368,0.62,1.0,0.3120416695223083,0.36814646014666574,0.12123912000548283,0.10688095401274758,0.2270770509218011
EOS-3-43454,Cn1cncc1-c1nc(-c2nnc3cncc(OCCc4cc(Cl)ncc4F)n23)ccc1F,QDHMKRIZBFWXPL-UHFFFAOYSA-N,3,1,0.418,31,773,468.855,3.535,5,0.352,0.63,1.0,0.6587108491535878,0.5645175107943252,0.6114042903159482,0.6342779795764513,0.6172276574600781
EOS-3-43455,Cc1nccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cnn2)n1,DQHCVENZWVASHD-UHFFFAOYSA-N,3,1,0.421,55,283,431.847,2.974,5,0.387,0.53,0.985,0.7043725584264272,0.7634843396614351,0.2923891439928723,0.2905558220821054,0.51270046604071
EOS-3-43456,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)ccn2)n1,CSERGQVOOXNIOB-UHFFFAOYSA-N,3,1,0.446,55,486,449.837,3.113,5,0.373,0.54,1.0,0.7498457953533,0.6851826468370914,0.4102871633198547,0.4297683503529573,0.5687709889658009
EOS-3-43457,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cnn2)cn1,BSBGPCIODVCIOA-UHFFFAOYSA-N,3,1,0.4,51,48,448.834,1.553,5,0.403,0.51,1.0,0.5303097800013707,0.49088479199506546,0.11533650880679872,0.1294205332054006,0.3164879035021589
EOS-3-43458,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5cccc(F)c5F)nn4)n23)cc1,JSSWYVRUUFTIJD-UHFFFAOYSA-N,3,1,0.283,10,356,472.394,3.308,6,0.384,0.55,0.861,0.03381365225138784,0.17249503118360635,0.5673017613597423,0.7144729627852786,0.3720208518950038
EOS-3-43459,c1cc(COc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)nc(-c2ncon2)c1,MORNICFDHOKNBV-UHFFFAOYSA-N,3,1,0.466,80,200,454.475,3.939,6,0.369,0.63,1.0,0.29648413405523955,0.25354670687410047,0.2664998971969022,0.2578558700568844,0.26859665204578165
EOS-3-43460,COc1cc(-c2cc(C)nc(C)c2)ccc1-c1nnc2cncc(COCCCF)n12,FVZCLDDQFNMYSI-UHFFFAOYSA-N,3,1,0.394,5,947,421.476,4.355,4,0.394,0.7,1.0,0.31955486258652593,0.1236721266534165,0.43605647316839147,0.312307244191625,0.29789767664998973
EOS-3-43461,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)c(C)n1,WNIUUTJLJFGJAW-UHFFFAOYSA-N,3,1,0.412,31,185,464.44,3.08,5,0.358,0.6,1.0,0.3014615173737235,0.32931258995271057,0.07798471660612706,0.050664793365773425,0.18985590432458366
EOS-3-43462,CCCc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)s1,RNOTYLRWAYVWMS-UHFFFAOYSA-N,3,1,0.423,65,658,445.512,3.069,5,0.355,0.58,0.999,0.3763364402714002,0.32487492289767667,0.018624494551435816,0.017570762798985676,0.1843516551298746
EOS-3-43463,Cc1onc(-c2cccnc2)c1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,MZEFLEOTIMUFFC-UHFFFAOYSA-N,3,1,0.448,55,879,419.832,3.777,5,0.396,0.68,1.0,0.6068381193886643,0.6560122678363375,0.3328678637516277,0.36646734288259886,0.4905463984648071
EOS-3-43464,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)cs2)n(C)n1,NVKYTGPQEHKXJF-UHFFFAOYSA-N,3,1,0.455,31,779,470.921,3.766,5,0.372,0.63,1.0,0.43692173257487493,0.4155386882324721,0.15357926118840382,0.2141559865670619,0.3050489171407032
EOS-3-43465,O=c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc(-c2cc(F)ccn2)[nH]1,UEDNFJCVKFYYGR-UHFFFAOYSA-N,3,1,0.511,35,595,463.86,3.351,5,0.384,0.58,0.987,0.5866887122198615,0.4421732574874923,0.6938438078267425,0.7248817764375299,0.6118968884929066
EOS-3-43466,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ncc(C)s5)c4)n23)n(C)n1,FAVDQLBPUKNQOH-UHFFFAOYSA-N,3,1,0.453,7,662,418.486,3.239,5,0.432,0.62,1.0,0.23731238434651497,0.18117332602289082,0.06510862860667535,0.03463607703378795,0.12955760400246727
EOS-3-43467,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ncn4)n23)n1,OKBNWLZZBSPFFK-UHFFFAOYSA-N,3,1,0.427,44,848,413.416,3.404,5,0.394,0.73,0.999,0.6407802755123021,0.5691265163456926,0.3999468850661367,0.42977691727777395,0.5099076485504763
EOS-3-43468,CCn1cnnc1-c1cccc(-c2nnc3cncc(-c4cn(-c5cccc(F)c5)nn4)n23)c1F,JXQWOIVYZURKOH-UHFFFAOYSA-N,3,1,0.298,10,39,470.447,3.596,6,0.379,0.56,0.99,0.03958775957782194,0.172503598108423,0.3662446028373655,0.4675656226440957,0.2614753957919265
EOS-3-43469,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)n[nH]4)n23)c(Cl)n1,ZVJQNKDRPUTBOW-UHFFFAOYSA-N,3,1,0.435,31,963,456.297,3.238,5,0.391,0.59,1.0,0.4116407374408882,0.3915941333698855,0.3328764306764444,0.42978548420259066,0.3914741964224522
EOS-3-43470,COCc1cc(F)nc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)n1,MZYQGBJYRLMHGB-UHFFFAOYSA-N,3,1,0.483,16,921,449.471,3.569,5,0.348,0.6,1.0,0.46718011102734563,0.48167534781714755,0.3253889383866767,0.2696953601535193,0.3859849393461723
EOS-3-43471,Fc1ccc(-c2nnc3cncc(-c4cc(F)cnc4OC(F)(F)F)n23)c(F)c1,HUJISEDOERMPEB-UHFFFAOYSA-N,3,1,0.442,23,861,411.265,4.169,4,0.474,0.74,1.0,0.7557826742512508,0.8586371736001644,0.9964704269755329,0.9958364745390994,0.9016816873415119
EOS-3-43472,Fc1cnn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)nc5)n34)n2)n1,XRZBMDQHQDPMGB-UHFFFAOYSA-N,3,1,0.357,32,541,469.871,4.289,6,0.379,0.65,0.998,0.0467582756493729,0.21786546501267906,0.4820608594338976,0.6108303063532314,0.33937872661229523
EOS-3-43473,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncccn1,ASTAEUFVIJKTHI-UHFFFAOYSA-N,3,1,0.447,18,896,444.43,2.808,5,0.374,0.52,1.0,0.8067044753615242,0.5985881707902131,0.24496264820779934,0.1827239394147077,0.4582448084435611
EOS-3-43474,Fc1cc(-c2nc(CCOc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)ccn1,BHEZEXYDDCVCSB-UHFFFAOYSA-N,3,1,0.414,44,692,465.851,4.196,5,0.347,0.62,0.999,0.819786169556576,0.9011205537660202,0.7093413748200946,0.7616595846754849,0.797976920704544
EOS-3-43475,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnc(C)s5)nc4)n23)n1,PQBJUMKLMFHMHT-UHFFFAOYSA-N,3,1,0.488,4,464,421.511,3.962,5,0.424,0.65,1.0,0.35794325269001437,0.4335120964978411,0.0736926872729765,0.04945685696662326,0.22865122335686383
EOS-3-43476,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nc(C)c(C)n5C)c(Cl)c4)n23)n1,KIIANMUZTGUQGY-UHFFFAOYSA-N,3,1,0.549,4,677,465.97,4.806,5,0.37,0.72,1.0,0.45094578849976014,0.5602254814611747,0.15052943595367008,0.14072030703858543,0.32560525323829753
EOS-3-43477,Fc1ccc(OCc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)c(Cl)c1,LFRKFJDVSDMGNI-UHFFFAOYSA-N,3,1,0.412,14,189,437.887,5.286,5,0.374,0.78,1.0,0.5096206565691179,0.5893701596874786,0.882504626139401,0.897693783839353,0.7197973065588377
EOS-3-43478,Cn1nc(-c2nnc3cncc(Oc4cncc(Cl)c4)n23)cc1-c1cnc(F)cn1,GRKPSRHIADUZOO-UHFFFAOYSA-N,3,1,0.368,50,956,423.799,2.962,5,0.434,0.54,1.0,0.4462168460009595,0.4509543554245768,0.3289870468096772,0.40114625454047015,0.40682612569392096
EOS-3-43479,Cc1cc(COc2cncc3nnc(-c4cncc(-c5cc(C)nn5C)c4)n23)n(C)n1,OKLTUWJYKRPBGJ-UHFFFAOYSA-N,3,1,0.427,92,662,415.461,2.516,5,0.435,0.63,1.0,0.23732095127133165,0.14499520252210266,0.10694092248646427,0.04799191282297306,0.13431224727571792
EOS-3-43480,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccncc5)s4)n23)cc1,DMBDSPVJAKCMLE-UHFFFAOYSA-N,3,1,0.31,64,365,433.5,5.039,6,0.387,0.71,1.0,0.09094647385374546,0.08217394284147762,0.3740148036460832,0.4612260982797615,0.25209032965526695
EOS-3-43481,Cn1nc(-c2ccncc2)nc1CCc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,RUFYWRJCTFDOST-UHFFFAOYSA-N,3,1,0.395,85,290,433.426,3.1,5,0.406,0.63,0.384,0.209846823384278,0.28966486190117197,0.17907442944280721,0.1989839627167432,0.21939251936125012
EOS-3-43482,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)nc2)nc1,KPKBUOSRGAYEDB-UHFFFAOYSA-N,3,1,0.365,27,412,450.384,4.216,5,0.367,0.62,1.0,0.7957902131450895,0.8323452813378109,0.6992838050853266,0.5740182304160099,0.7253593824960592
EOS-3-43483,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5sccc5F)cn4)n23)nc1,RWNHQVZSTHVBMF-UHFFFAOYSA-N,3,1,0.477,46,128,418.457,4.336,5,0.423,0.71,1.0,0.5955640463299294,0.6081916935096977,0.547349393461723,0.508018641628401,0.5647809437324377
EOS-3-43484,Cn1nncc1-c1cc(-c2cncc3nnc(-c4cnc(-c5ccnc(F)c5)nc4)n23)ncn1,IEBHIAKKRXLLLK-UHFFFAOYSA-N,3,1,0.31,86,780,452.417,2.035,6,0.365,0.53,0.998,0.11328044685079844,0.16828010417380576,0.14443835240901925,0.16110102117743816,0.1467749811527654
EOS-3-43485,Cc1nc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1-c1cnnn1C,HGZRJPCUMORBEB-UHFFFAOYSA-N,3,1,0.378,31,602,466.868,2.494,5,0.371,0.54,0.933,0.4369302994996916,0.4555119594270441,0.1237492289767665,0.1556353231444041,0.29295670276197655
EOS-3-43486,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)s2)n1,IYNHMOAEXMDHLM-UHFFFAOYSA-N,3,1,0.313,76,557,448.515,4.742,6,0.384,0.66,0.886,0.0859348228359948,0.14885888561441984,0.2778939072030704,0.26702247961071895,0.194927523816051
EOS-3-43487,COc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)cn1,AQPSOMHUOOYHJP-UHFFFAOYSA-N,3,1,0.453,7,903,463.408,2.959,5,0.355,0.58,1.0,0.6094681653073812,0.5412154752929889,0.4923069015146323,0.29961962853813995,0.4856525426632856
EOS-3-43488,Cc1cnc(-c2cccc(-c3nnc4cncc(Cc5cnc(-c6cnccn6)cn5)n34)c2)cn1,UDZAINVZLHEKSZ-UHFFFAOYSA-N,3,1,0.345,86,277,458.489,3.395,6,0.383,0.52,1.0,0.11328901377561511,0.10785758344184772,0.22713487766431362,0.20508361318621068,0.16334127201699677
EOS-3-43489,COc1nc(-c2cn(C)cn2)ccc1-c1nnc2cncc(OCCc3cncc(F)n3)n12,YJVJFHFWMUDRRY-UHFFFAOYSA-N,3,1,0.433,20,456,447.434,2.146,5,0.37,0.54,0.999,0.517150983482969,0.45552052635186074,0.10967377150298128,0.0686896031800425,0.2877587211294634
EOS-3-43490,Cc1cnnn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)cn4)n23)cn1,LMGKVOXBUJCXNU-UHFFFAOYSA-N,3,1,0.432,80,34,453.426,2.099,6,0.365,0.57,1.0,0.2586011925159345,0.09790281680487972,0.06127921321362484,0.045327599204989376,0.1157777054348571
EOS-3-43491,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3cnn(-c4ccc(Cl)nn4)n3)n12,AHNXTRUULDWVOP-UHFFFAOYSA-N,3,1,0.314,10,314,471.847,3.079,6,0.381,0.56,0.905,0.045370433829072715,0.29975669933520666,0.244971215132616,0.35654684394489755,0.23666129806044822
EOS-3-43492,COc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5nc6ccccn6n5)c4)n23)n1,QHBZZHHNVAYCIW-UHFFFAOYSA-N,3,1,0.479,1,92,468.452,3.623,6,0.365,0.61,0.683,0.6982643410321431,0.7933229387978891,0.40719450346103764,0.35020731958056334,0.5622472757179082
EOS-3-43493,Cc1ccc(-c2nnc3cncc(OCc4csc(-c5cc(F)cnc5F)c4)n23)cn1,RMJWJDKFQLYXKM-UHFFFAOYSA-N,3,1,0.511,55,879,436.447,4.475,5,0.378,0.68,1.0,0.7900075388938387,0.772231169899253,0.77555513672812,0.7117486806935782,0.7623856315536974
EOS-3-43494,Cc1cscc1-c1nc(COc2cncc3nnc(-c4ccc(F)nc4)n23)ccc1F,NLSJDTFBCADDAA-UHFFFAOYSA-N,3,1,0.467,55,390,436.447,4.475,5,0.378,0.68,1.0,0.6525512302104036,0.7000805290932767,0.6913679665547255,0.6516688369542869,0.6739171407031732
EOS-3-43495,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5C)c4)n23)cn1,YKUWMLXIOTXBOS-UHFFFAOYSA-N,3,1,0.536,2,879,410.441,3.234,5,0.435,0.77,1.0,0.4577907614282777,0.2997652662600233,0.41029573024467136,0.28157768487423757,0.36235736070180247
EOS-3-43496,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cnc2Cl)nc1,NNFZCXHEHZIVNA-UHFFFAOYSA-N,3,1,0.477,2,775,469.267,4.063,5,0.355,0.64,1.0,0.8850490028099514,0.8989274210129532,0.6776351860736071,0.7358303063532314,0.7993604790624358
EOS-3-43497,Fc1cccc(-c2csc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)c1,QMOKTYOSPRPKCN-UHFFFAOYSA-N,3,1,0.529,1,92,454.437,4.966,5,0.361,0.76,1.0,0.6466743197861695,0.8015728873963403,0.8337673908573778,0.8058392159550408,0.7719634534987321
EOS-3-43498,COc1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccc1-c1ccccn1,UPXVFGWIYKFKIO-UHFFFAOYSA-N,3,1,0.452,97,383,446.417,4.114,5,0.363,0.59,1.0,0.9417020766225755,0.8094030566787745,0.851715098348297,0.7616681516003015,0.8411220958124871
EOS-3-43499,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5sncc5C)n34)cn2)n1,ZLRZCRAUOLACIR-UHFFFAOYSA-N,3,1,0.5,55,85,416.47,3.296,5,0.43,0.65,1.0,0.3439705983140292,0.3248834898224933,0.0757401823041601,0.05192413131382359,0.19912960043862657
EOS-3-43500,COc1cc(-c2nnc3cncc(OCc4ccc(F)s4)n23)ccc1-c1cscn1,VVVFPQWILRTEDL-UHFFFAOYSA-N,3,1,0.523,4,61,439.497,4.703,5,0.382,0.66,1.0,0.7984887944623398,0.7806181892947708,0.6443698170104859,0.5282194503461037,0.6879240627784251
EOS-3-43501,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nn1,ZPLDNEFPUSIMCF-UHFFFAOYSA-N,3,1,0.338,38,787,452.478,4.573,6,0.362,0.62,1.0,0.1652902474127887,0.32489205674731,0.5636950860119252,0.592659858817079,0.41163431224727576
EOS-3-43502,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1F,NEGDQDYMLXLFMK-UHFFFAOYSA-N,3,1,0.378,96,46,436.372,5.131,5,0.365,0.72,0.844,0.41605270372147213,0.6656157905558221,0.9722945651428964,0.9684908505242958,0.7556134774861216
EOS-3-43503,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ncn2)nn1,OIIHRVHEKKNDDQ-UHFFFAOYSA-N,3,1,0.524,19,54,410.441,2.968,5,0.421,0.77,0.964,0.6009697758892468,0.24866355972859983,0.18226989239942432,0.16888835583578918,0.30019789596326507
EOS-3-43504,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3scnc3-c3ccccn3)n12,SDENNHCDBZBYFT-UHFFFAOYSA-N,3,1,0.549,24,199,439.863,4.076,5,0.407,0.6,0.995,0.4773747515591803,0.4686279213213625,0.35520183674868067,0.46757418956891234,0.44219467479953395
EOS-3-43505,CCn1nc(-c2cnccc2OC)nc1-c1cncc2nnc(-c3ccc(C(C)(O)F)cc3)n12,QEGXWWWHGKYBRI-UHFFFAOYSA-N,3,1,0.327,74,333,460.473,3.275,5,0.41,0.55,1.0,0.18202145157974092,0.27915324515112055,0.4543639915016106,0.32772770886162705,0.3108165992735248
EOS-3-43506,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(C)n5)ncn4)n23)nn1,QYUUDRZYQVALFC-UHFFFAOYSA-N,3,1,0.378,53,587,412.417,2.024,5,0.422,0.66,0.927,0.33211397436776097,0.2282314440408471,0.053654650126790486,0.030446850798437394,0.16111172983345898
EOS-3-43507,CCCOc1ncncc1COc1cncc2nnc(-c3ccc(Cl)c(-c4cccnn4)c3)n12,CVTSSWIJWOXGRH-UHFFFAOYSA-N,3,1,0.458,16,214,474.912,4.06,5,0.328,0.72,1.0,0.6803851689397574,0.7634929065862518,0.33989274210129533,0.31835549311219247,0.5255315776848742
EOS-3-43508,CCc1nc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1cncn1C,RXKFPYJTZMJYRW-UHFFFAOYSA-N,3,1,0.406,31,690,464.892,3.916,5,0.376,0.59,0.866,0.4532417243506271,0.5230621616064698,0.4577222260297444,0.44229319443492565,0.4690798266054418
EOS-3-43509,COc1ccccc1-c1ncsc1-c1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,MKENCQYTSSTWSO-UHFFFAOYSA-N,3,1,0.384,42,945,466.53,4.386,6,0.372,0.68,0.714,0.135083270509218,0.1042166403947639,0.23445959838256458,0.19613974367760947,0.167474813241039
EOS-3-43510,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(Cl)cn5)cn4)n23)cc1Cl,KNSUWWLDNQROIL-UHFFFAOYSA-N,3,1,0.494,7,212,465.304,4.233,5,0.38,0.61,1.0,0.7104979096703448,0.8250376944691933,0.592839764238229,0.6372678363374683,0.6914108011788088
EOS-3-43511,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cn2)ncn1,YYDDRRNYJPPOEV-UHFFFAOYSA-N,3,1,0.404,92,662,413.445,2.573,5,0.432,0.68,1.0,0.26129977383318487,0.17691556438900694,0.11534507573161538,0.059068946610924544,0.15315734014118293
EOS-3-43512,Cc1c(F)ncnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(F)nc4)n23)c1,DHYIAOICDVCQCL-UHFFFAOYSA-N,3,1,0.451,59,109,449.396,3.948,5,0.296,0.73,1.0,0.8578318826673977,0.8525289562058803,0.8482711945719964,0.8100712768144747,0.8421758275649373
EOS-3-43513,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nc2F)n(C)n1,UQYVNXIHLQOGAJ-UHFFFAOYSA-N,3,1,0.39,31,602,466.868,2.494,5,0.347,0.57,0.984,0.5046604071002673,0.4816839147419642,0.05161572202042355,0.07812178740319375,0.27902045781646223
EOS-3-43514,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)cs1,LQTGFEHVHASZRD-UHFFFAOYSA-N,3,1,0.43,2,422,453.89,4.385,5,0.364,0.7,1.0,0.6803937358645741,0.6560208347611541,0.6528682064286204,0.6342865465012679,0.6558923308889042
EOS-3-43515,Cc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)n1,FVQJLGBYBFGKJY-UHFFFAOYSA-N,3,1,0.457,65,658,413.445,2.307,5,0.417,0.66,1.0,0.4722345966691796,0.2896734288259886,0.06128778013844151,0.04156671921047221,0.21619063121102047
EOS-3-43516,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccns4)ccn3)n12,NVFDDBWCUMGQSV-UHFFFAOYSA-N,3,1,0.5,18,840,419.445,3.465,5,0.416,0.6,1.0,0.540410184360222,0.47300561990267975,0.45062024535672673,0.44555719279007605,0.47739831060242616
EOS-3-43517,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4nc(C#N)ccc4OC)n23)cc1,ZINPVIKYIAUNNW-UHFFFAOYSA-N,3,1,0.484,15,734,467.493,2.966,5,0.338,0.62,1.0,0.5020731958056336,0.38701082859296826,0.17272633815365637,0.11148995956411487,0.29332508052909323
EOS-3-43518,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)[nH]c1C,KUNJMLKLTJIASL-UHFFFAOYSA-N,3,1,0.451,4,464,437.916,4.487,5,0.435,0.61,0.969,0.5225567130422863,0.6410544171064355,0.3104824892056747,0.29650126790487286,0.4426487218148174
EOS-3-43519,Clc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)ccn1,MJXLSTXKFKFPKM-UHFFFAOYSA-N,3,1,0.478,87,173,464.316,4.572,5,0.34,0.69,1.0,0.6833750257007745,0.7374323212939483,0.6938523747515591,0.7642724967445685,0.7197330546227126
EOS-3-43520,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)c4)n23)cc1F,SRSMDKFRTBDGOX-UHFFFAOYSA-N,3,1,0.537,16,353,440.891,4.625,5,0.398,0.62,1.0,0.862595092865465,0.7890480433143718,0.7616253169762183,0.7589867041326845,0.7930637893221848
EOS-3-43521,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5nnccc5F)n34)ccc2Cl)c1,PZSGRWIZNDSMEZ-UHFFFAOYSA-N,3,1,0.5,37,494,461.888,4.366,5,0.371,0.61,1.0,0.8601535192927147,0.9470564046329929,0.6693252690014393,0.7197330546227126,0.7990670618874649
EOS-3-43522,Cc1nn(C)c(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccc(-c4nccn4C)cn3)n12,SIJSYLNVQBUBNY-UHFFFAOYSA-N,3,1,0.31,70,369,465.496,4.102,6,0.389,0.56,1.0,0.09805702145157974,0.2128709478445617,0.3104910561304914,0.33412720169967786,0.23888655678157766
EOS-3-43523,Fc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1ncccn1,QNMYQOOXOHOPIG-UHFFFAOYSA-N,3,1,0.43,18,262,466.839,3.591,5,0.35,0.6,0.999,0.8867966554725516,0.8555530806661641,0.5896443012816119,0.6313566582139675,0.7408376739085738
EOS-3-43524,C#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1Cl,IXHCWNJBGIWCCQ-UHFFFAOYSA-N,3,1,0.562,90,400,415.305,4.762,4,0.441,0.74,1.0,0.9359793708450415,0.9545010622986773,0.8812367212665342,0.9151103419916387,0.921706874100473
EOS-3-43525,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)s2)no1,OOALZVXQAGJKLE-UHFFFAOYSA-N,3,1,0.329,38,865,414.41,3.62,6,0.426,0.67,1.0,0.2557055719279008,0.23827187992598178,0.18227845932424097,0.20509218011102734,0.2203370228222877
EOS-3-43526,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5nccs5)c4)n23)nc1,CHOFIWUOURZAEK-UHFFFAOYSA-N,3,1,0.423,33,344,487.52,3.92,6,0.371,0.84,1.0,0.3694057980947159,0.18531971763415805,0.23795490370776506,0.27571790829963677,0.26709958193406896
EOS-3-43527,Cn1c(C#N)ccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)sn1,MUWQQYBKKIHEGY-UHFFFAOYSA-N,3,1,0.394,46,915,448.899,3.752,5,0.403,0.59,0.908,0.5196867932287026,0.5319717634158042,0.4324497978205743,0.467582756493729,0.4879227777397025
EOS-3-43528,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6)n5)n34)nc2)c1,KYGPJDTYEVOHIG-UHFFFAOYSA-N,3,1,0.314,3,298,468.883,4.894,6,0.366,0.69,1.0,0.02671167157837023,0.22324549379754643,0.7199300938934959,0.832602289082311,0.4506223870879309
EOS-3-43529,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(F)c(-c6cccs6)n5)n34)nc2)nc1,CKUMNAWIYBERGC-UHFFFAOYSA-N,3,1,0.303,70,902,470.468,4.712,6,0.368,0.68,1.0,0.29897710917688985,0.45984682338427796,0.4717462819546296,0.5512816119525735,0.4454629566170928
EOS-3-43530,Fc1cccc(CCc2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)c1,ZLJOHXWEORCJGL-UHFFFAOYSA-N,3,1,0.402,57,358,413.431,4.917,5,0.411,0.88,1.0,0.3986275786443698,0.5275083955863203,0.8760537317524502,0.9139109725173052,0.6790251696251114
EOS-3-43531,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cnn2)cn1,SWZUYISRFWURLY-UHFFFAOYSA-N,3,1,0.473,65,778,445.874,3.017,5,0.363,0.54,1.0,0.7074909190596943,0.7464875608251662,0.32539750531149336,0.31545130559934204,0.523706822698924
EOS-3-43532,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nn(C)n5C)c4)n23)nc1,DCVSBJIXXWQLSV-UHFFFAOYSA-N,3,1,0.378,53,502,468.485,1.695,6,0.358,0.65,0.283,0.3416489616887122,0.18951751079432527,0.027551230210403673,0.0157545747378521,0.1436180693578233
EOS-3-43533,CCc1cncc(OCc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4F)n23)n1,PAEJQHHMDSORQQ-UHFFFAOYSA-N,3,1,0.369,85,487,430.447,3.262,5,0.408,0.53,1.0,0.48211226098279764,0.4863186210677815,0.3362946336782948,0.26390411897745186,0.39215740867658144
EOS-3-43534,Fc1cc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)ccn1,XKSLFMRQZDOTLG-UHFFFAOYSA-N,3,1,0.467,2,419,451.824,4.154,5,0.371,0.61,1.0,0.6495613734493866,0.7635014735110685,0.8576519772462476,0.8729096703447331,0.7859061236378589
EOS-3-43535,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1-c1ccoc1,WJVSOGUYQAXXQD-UHFFFAOYSA-N,3,1,0.376,80,584,456.401,2.74,6,0.397,0.54,1.0,0.6466828867109862,0.5366150366664382,0.1759132341854568,0.17165547255157287,0.3827166575286135
EOS-3-43536,Fc1cncc(Cl)c1COc1cncc2nnc(-c3cccc(Oc4ccccc4)c3)n12,FCEBHCARQIMXSG-UHFFFAOYSA-N,3,1,0.543,79,881,447.857,5.35,5,0.349,0.78,1.0,0.9071002672880543,0.8494191624974299,0.9011548214652868,0.9061322047837708,0.8909516140086354
EOS-3-43537,Fc1cc(-c2nnc3cncc(CCc4cccnc4)n23)ccc1-c1cnc(-c2ccncc2)o1,UWWQVGVJKNMGFY-UHFFFAOYSA-N,3,1,0.379,41,78,463.476,4.828,6,0.349,0.71,0.999,0.4160612706462888,0.5092180111027346,0.6381930642176684,0.62538551161675,0.5472144643958604
EOS-3-43538,Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5cncc(C)n5)c4)n23)cn1,JQRZQVXOAPOIIN-UHFFFAOYSA-N,3,1,0.471,7,99,411.429,2.629,5,0.43,0.68,1.0,0.37634500719621683,0.19404941402234255,0.13523747515591802,0.08326194229319443,0.19722345966691796
EOS-3-43539,Cn1c(C#N)cnc1-c1cccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,DTBLQHBUNGXHGU-UHFFFAOYSA-N,3,1,0.488,13,145,445.845,4.648,5,0.399,0.61,1.0,0.5926427249674456,0.6900572270577754,0.8576605441710644,0.8664330751833322,0.7516983928449044
EOS-3-43540,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccnc(C)n3)n12,ZXMNEKZFRTYOGQ-UHFFFAOYSA-N,3,1,0.484,87,710,446.496,3.038,5,0.372,0.56,1.0,0.4183229387978891,0.2896819957508053,0.06319820437255842,0.028682064286203825,0.19997130080186415
EOS-3-43541,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccc2C)cnn1,JVHUEFXMSLIDAL-UHFFFAOYSA-N,3,1,0.478,72,55,443.898,4.493,5,0.369,0.61,1.0,0.634877664313618,0.6949746419025427,0.7171115756288123,0.6659413336988554,0.6782263038859571
EOS-3-43542,Cc1cnc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(F)c(C)c5)c4)n23)cn1,MVMCCVHWTMAMHB-UHFFFAOYSA-N,3,1,0.469,20,778,442.458,3.416,5,0.394,0.51,1.0,0.5780275512302104,0.5941248029607292,0.4034250565417038,0.35981940922486466,0.483849204989377
EOS-3-43543,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(Cl)n1,DRXLHHGOPWGHRJ-UHFFFAOYSA-N,3,1,0.495,58,24,467.32,3.91,5,0.35,0.62,1.0,0.6348862312384347,0.6222071825097663,0.44354396545815916,0.5182389829346857,0.5547190905352615
EOS-3-43544,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccc2F)cn1,QEZWJXMUSFBSCY-UHFFFAOYSA-N,3,1,0.523,59,89,469.814,4.293,5,0.354,0.65,1.0,0.9472277431293263,0.9379069289287917,0.9289801932698238,0.9288002878486739,0.9357287882941538
EOS-3-43545,CCn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(OC)cnc4F)n23)nc(C)n1,PFLFNYKJVLUIGS-UHFFFAOYSA-N,3,1,0.333,31,330,461.461,2.895,5,0.337,0.63,0.978,0.43914913302720854,0.31500582550887535,0.132350421492701,0.07037728736892605,0.2392206668494277
EOS-3-43546,Fc1cccc(CCCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)n1,ZVUONETYWVWLKE-UHFFFAOYSA-N,3,1,0.479,72,386,445.433,3.933,5,0.277,0.76,1.0,0.8398927421012953,0.8890925913234186,0.560371119183058,0.5926684257418957,0.7205062195874169
EOS-3-43547,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cncn5C(F)F)c4)n23)c1F,YXDLIKGXKTTWNT-UHFFFAOYSA-N,3,1,0.484,24,910,455.375,4.302,5,0.355,0.66,1.0,0.7377921321362484,0.5985967377150299,0.9593499417449113,0.9385922829141251,0.8085827736275786
EOS-3-43548,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(F)cn5)nc4)n23)nc1,NZZDVTWDQLIOOH-UHFFFAOYSA-N,3,1,0.337,33,647,481.495,2.855,6,0.376,0.66,0.408,0.14021485847440202,0.14500376944691934,0.08240524981152765,0.1185062709889658,0.1215325371804537
EOS-3-43549,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccccc4)n23)cc1,MBUJDZRVIYFYDQ-UHFFFAOYSA-N,3,1,0.368,62,3,406.449,3.88,5,0.49,0.88,1.0,0.21507264752244534,0.07516619834144335,0.49231546843944896,0.4297940511274073,0.30308709135768624
EOS-3-43550,Cc1ncc(-c2cc(Cl)nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1C,AOOWYRZYVNZHRG-UHFFFAOYSA-N,3,1,0.541,4,32,466.332,4.781,5,0.347,0.74,1.0,0.7984973613871564,0.8494277294222465,0.669333835926256,0.6950089096018094,0.753066959084367
EOS-3-43551,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnc(C)n5C)cn4)n23)nc1,YYTZCVOCTZUECM-UHFFFAOYSA-N,3,1,0.27,70,652,463.505,4.229,6,0.382,0.6,0.711,0.0815399904050442,0.052506682201357,0.18228702624905763,0.11851483791378246,0.10871213419231032
EOS-3-43552,N#Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccc(F)nc5)nn4)n23)cn1,XOOSPJYPFOYCQB-UHFFFAOYSA-N,3,1,0.237,86,953,463.4,1.692,6,0.35,0.56,1.0,0.005157288739634021,0.10422520731958056,0.1352460420807347,0.19090535261462546,0.10888347268864368
EOS-3-43553,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(C)n5)n34)ccn2)ncn1,ZZXKUNUBHNJOHA-UHFFFAOYSA-N,3,1,0.435,7,99,411.429,2.629,5,0.43,0.69,1.0,0.36236378589541496,0.16828867109862244,0.15358782811322047,0.09451031457747927,0.19468764992118429
EOS-3-43554,Cc1ccc(-c2nnc3cncc(Cc4ccc5c(C(F)F)ncc(Cl)c5n4)n23)cn1,JCOLGVRPPRWVAF-UHFFFAOYSA-N,3,1,0.378,85,290,437.841,4.62,5,0.408,0.59,1.0,0.40482146528682067,0.5137670481803852,0.7431378932218491,0.730296072921664,0.5980056199026798
EOS-3-43555,c1csc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)n2)c1,OKDHMBXSXGPYHM-UHFFFAOYSA-N,3,1,0.307,38,186,439.529,5.1,6,0.38,0.69,0.991,0.1187718456582825,0.20320745665136042,0.36625316976218214,0.454997943938044,0.28580760400246724
EOS-3-43556,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)nc2F)cs1,ZRBFKGZESYBNJF-UHFFFAOYSA-N,3,1,0.463,58,814,451.462,3.913,5,0.362,0.63,0.995,0.6712442601603729,0.6266020149407169,0.39995545199095334,0.39199677883626893,0.522449626482078
EOS-3-43557,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc(C)n2)nc1,LQBJMGNIZHBBLD-UHFFFAOYSA-N,3,1,0.495,58,583,457.925,4.535,5,0.369,0.63,1.0,0.6863049139880748,0.6656243574806388,0.4612175313549448,0.4390120622301419,0.5630397162634501
EOS-3-43558,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccn5)ncn4)n23)nn1,VOZWDXAHUXJZBU-UHFFFAOYSA-N,3,1,0.43,53,587,415.392,2.46,5,0.427,0.59,0.998,0.4278836268932904,0.46863648824617915,0.21316222328832843,0.21107189363306147,0.33018855801521485
EOS-3-43559,Cn1[nH]cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)c1=N,RKIRBHUZFKNHQU-UHFFFAOYSA-N,3,1,0.346,62,341,468.496,3.303,6,0.367,0.85,0.997,0.19870125419779316,0.2232540607223631,0.3779298882873004,0.3889726543759852,0.29721446439586047
EOS-3-43560,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccnn5)s4)n23)c1,RWQXNXPNAIYWJI-UHFFFAOYSA-N,3,1,0.325,76,176,452.478,4.573,6,0.387,0.63,0.817,0.1820300185045576,0.28969056267562193,0.3852460420807347,0.4916986498526489,0.33716631827839083
EOS-3-43561,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(Cc5cc(-c6cccnn6)ncn5)n34)c2)cn1,WANCSMSRCSPMPI-UHFFFAOYSA-N,3,1,0.284,94,869,476.479,3.534,6,0.368,0.59,1.0,0.26398122130080187,0.24365190871084916,0.37402337057089985,0.3632975807004318,0.31123852032074567
EOS-3-43562,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)cn1,DSUSEXRZCQPTFS-UHFFFAOYSA-N,3,1,0.62,24,28,419.445,3.731,5,0.401,0.67,1.0,0.6982729079569597,0.6512233568638202,0.35877424439723116,0.2934685765197725,0.5004347714344459
EOS-3-43563,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,NNCUQAVKGKGOIJ-UHFFFAOYSA-N,3,1,0.641,12,650,445.885,5.267,5,0.333,0.78,1.0,0.9862158179699815,0.9796792543348639,0.8760622986772668,0.9038362689329038,0.936448409978754
EOS-3-43564,COCc1ncc(-c2cnnc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)c2)cn1,HCNGEPHMKIGXIK-UHFFFAOYSA-N,3,1,0.378,51,182,463.408,2.437,5,0.332,0.57,1.0,0.4944229319443493,0.42001062298677266,0.45062881228154344,0.38898122130080187,0.43851089712836683
EOS-3-43565,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)s1,XOXQEOIEEYPKHX-UHFFFAOYSA-N,3,1,0.424,2,142,438.423,3.265,5,0.385,0.56,1.0,0.6009783428140635,0.531980330340621,0.4213299294085395,0.40738297580700433,0.490417894592557
EOS-3-43566,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nn1C,LJHAYUAQXUWXOG-UHFFFAOYSA-N,3,1,0.352,99,502,452.442,1.965,6,0.381,0.54,1.0,0.19314131999177575,0.16033856486875472,0.04167808923308889,0.029538756767870607,0.1061741827153725
EOS-3-43567,Cc1nc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)cn1C,FXDBAWFSLCOSSU-UHFFFAOYSA-N,3,1,0.418,51,823,433.863,2.918,5,0.389,0.56,1.0,0.5534319100815571,0.6851912137619081,0.14444691933383594,0.13597423069015147,0.3797610684668632
EOS-3-43568,CS(=O)(=O)c1ncccc1-c1ccc(-c2nnc3cncc(Oc4ccncc4F)n23)c(F)c1,OUEHMBDPGQFGNU-UHFFFAOYSA-N,3,1,0.413,13,374,480.456,3.722,5,0.374,0.69,1.0,0.618009389349599,0.704997943938044,0.5201665410184361,0.5546569803303406,0.5994577136591049
EOS-3-43569,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)s1,LUKXZPIQKFRJIO-UHFFFAOYSA-N,3,1,0.43,4,379,454.878,3.78,5,0.369,0.64,1.0,0.6291635254609006,0.6364968131039682,0.23446816530738127,0.2815862517990542,0.44542868891782605
EOS-3-43570,Cc1cnc(-c2nnc3cncc(OCc4cncc(-c5ncc(F)cn5)n4)n23)cn1,RGGXBWVJDMIGGM-UHFFFAOYSA-N,3,1,0.385,7,828,416.38,1.855,5,0.418,0.59,1.0,0.535304297169488,0.46435302583784527,0.07140531834692619,0.06869817010485917,0.28494020286477967
EOS-3-43571,CC#Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ncn2)n1,IBMHUVKWWWGUMC-UHFFFAOYSA-N,3,1,0.324,31,296,438.455,2.031,5,0.379,0.53,0.464,0.16256596532108833,0.07155095606880954,0.08736549928037832,0.045336166129806045,0.09170464670002057
EOS-3-43572,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5csnn5)c4)n23)c(F)c1F,JNJAFBGZFWIKRQ-UHFFFAOYSA-N,3,1,0.518,59,577,441.398,3.701,5,0.384,0.58,1.0,0.6068466863134809,0.6130063052566651,0.8402097183195121,0.8285158659447605,0.7221446439586046
EOS-3-43573,Cc1cc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)cc5C)n34)ccn2)cnn1,SZOOWULILGASQV-UHFFFAOYSA-N,3,1,0.323,96,478,413.872,4.581,5,0.43,0.73,1.0,0.2425810431087657,0.39160270029470223,0.672092385717223,0.7005260091837434,0.5017005345761086
EOS-3-43574,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)cnn1,UNZJEOVFVBCYAC-UHFFFAOYSA-N,3,1,0.478,65,65,417.408,2.137,5,0.413,0.6,1.0,0.5378486738400384,0.4730141868274964,0.21317079021314508,0.21416455349187855,0.35954955109313963
EOS-3-43575,Cc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc(-c2ccc(F)nc2)n1,SNBQLVSHYICGKV-UHFFFAOYSA-N,3,1,0.505,11,490,445.433,3.851,5,0.367,0.57,1.0,0.7985059283119731,0.7849873209512713,0.6557466931670207,0.619919813583716,0.7147899390034953
EOS-3-43576,Clc1cccc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ncccn5)c4)n23)n1,HENWNBFSXGTLHB-UHFFFAOYSA-N,3,1,0.5,58,954,465.304,3.967,5,0.347,0.62,1.0,0.7289510657254472,0.7635100404358851,0.3699883489822493,0.4675913234185457,0.5825101946405318
EOS-3-43577,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(C)cc5)nc4)n23)cn1,NBQSTLHXIOUSBY-UHFFFAOYSA-N,3,1,0.286,38,522,473.544,4.811,6,0.354,0.78,0.998,0.132504626139401,0.0887533411006785,0.15987595092865464,0.17427695154547324,0.13885271742855185
EOS-3-43578,Clc1ccc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccn2)nc1,HYEHRNKZABJUEX-UHFFFAOYSA-N,3,1,0.476,13,110,435.274,5.347,5,0.379,0.75,1.0,0.6378075526009184,0.7187221574943459,0.8434223151257625,0.8977023507641697,0.774413593996299
EOS-3-43579,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccs4)n23)cc1F,ZVOIMNJLJKKZET-UHFFFAOYSA-N,3,1,0.63,4,353,420.473,4.454,5,0.406,0.67,1.0,0.620690836817216,0.6656329244054554,0.5027414159413337,0.45820197381947775,0.5618167877458707
EOS-3-43580,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)cc(Br)n1,BIFFQRIWOIWWNN-UHFFFAOYSA-N,3,1,0.43,46,565,479.273,3.519,5,0.353,0.67,1.0,0.677429579878007,0.617829483928449,0.6234665204578165,0.5835532177369611,0.6255697005003085
EOS-3-43581,Cc1ncc(-c2nnc(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2C)s1,LVSSFTKBLYBYJR-UHFFFAOYSA-N,3,1,0.386,22,311,410.413,3.297,5,0.454,0.75,1.0,0.1904684394489754,0.3916112672195189,0.18878932218490851,0.31545987252415875,0.27158222534439036
EOS-3-43582,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cc(C)nn5C)nc4)n23)n1,NWYOHAHTUFLQAD-UHFFFAOYSA-N,3,1,0.471,4,464,418.486,3.239,5,0.432,0.66,1.0,0.25571413885271743,0.24867212665341648,0.06320677129737509,0.03362517990542115,0.15030455417723254
EOS-3-43583,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCCc4cnc(Cl)s4)n23)n1,LMOZUSYMUOZLCW-UHFFFAOYSA-N,3,1,0.417,18,531,468.905,3.822,5,0.37,0.63,1.0,0.6094767322321979,0.5738725926941265,0.23447673223219792,0.29347714344458914,0.4278258001507778
EOS-3-43584,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nc4)n23)cc1,GTXDCEJIQQJDSK-UHFFFAOYSA-N,3,1,0.404,63,334,404.861,3.323,5,0.516,0.85,1.0,0.23449386608183126,0.18952607771914193,0.2888938386676719,0.4039733397299705,0.2792217805496539
EOS-3-43585,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCc3ccc(C(F)F)nn3)n12,UOEZZXPQKAPDIX-UHFFFAOYSA-N,3,1,0.473,36,52,465.424,2.902,5,0.357,0.58,1.0,0.48953978479884863,0.40602083476115414,0.432458364745391,0.27873346583510383,0.4016881125351244
EOS-3-43586,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)[nH]n2)n(C)n1,PZEKQBFWSNYEJB-UHFFFAOYSA-N,3,1,0.415,56,415,467.497,2.598,6,0.396,0.55,1.0,0.3321225412925776,0.22824001096566376,0.10694948941128092,0.0635494482900418,0.18271537248989103
EOS-3-43587,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6ccoc6)cn5)n34)nn2)no1,IOXWYJLBMVZFRI-UHFFFAOYSA-N,3,1,0.402,6,843,453.422,3.174,6,0.367,0.58,1.0,0.30665307381262424,0.2032160235761771,0.08996127749982866,0.08683434994174491,0.17166618120759372
EOS-3-43588,Cc1cc(-c2ncc(Cl)cc2-c2nnc3cncc(-c4ccc(C(F)F)nc4)n23)ccn1,BKWWEJYEJNRLCE-UHFFFAOYSA-N,3,1,0.318,82,243,449.852,5.21,5,0.374,0.72,0.517,0.31455177849359195,0.4380268658762251,0.8825131930642177,0.8631690768281818,0.6245652285655541
EOS-3-43589,Fc1ccc(-c2nnc3cncc(-c4c(Cl)cncc4Oc4cccc(F)c4F)n23)nc1,YMQGQQNDPWFXJB-UHFFFAOYSA-N,3,1,0.303,45,575,454.799,5.111,5,0.375,0.7,0.999,0.5303183469261874,0.6803166335412241,0.9510485915975602,0.9650212459735453,0.7816762045096292
EOS-3-43590,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)cc(Cl)n2)cn1,CYMJHIYNYKONHS-UHFFFAOYSA-N,3,1,0.495,75,530,462.876,3.761,5,0.351,0.58,0.999,0.7730450277568364,0.8323538482626276,0.5303783153999041,0.5316890548968543,0.6668665615790556
EOS-3-43591,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)c(Cl)n2)nn1,LUMQTRHRFJPNLU-UHFFFAOYSA-N,3,1,0.286,9,7,466.896,4.057,6,0.386,0.58,1.0,0.2613083407580015,0.3339901309026112,0.3475430059625797,0.3920053457610856,0.33371170584606946
EOS-3-43592,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)o1,AJFWKFUWHLYNGS-UHFFFAOYSA-N,3,1,0.382,9,98,451.465,4.961,6,0.376,0.68,1.0,0.22062401480364607,0.3824617915153177,0.6205023644712494,0.607797614968131,0.457846446439586
EOS-3-43593,Clc1cccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c2)c1,MUDULZNISWNTBH-UHFFFAOYSA-N,3,1,0.349,32,20,462.904,5.026,6,0.362,0.68,0.954,0.18760708656020836,0.34888801315879653,0.6640223425399219,0.7538465492426838,0.48859099787540267
EOS-3-43594,COc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cscn1,JIERHLSULPLIAD-UHFFFAOYSA-N,3,1,0.446,49,501,449.471,3.474,5,0.348,0.59,1.0,0.6953430196696594,0.555008224247824,0.31812418614214244,0.23729525049688163,0.45144267013912687
EOS-3-43595,CCc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1ccnn1C,ZCGSAXDRRYOGBB-UHFFFAOYSA-N,3,1,0.429,31,954,444.474,3.305,5,0.355,0.59,0.935,0.44372387087930915,0.4335206634226578,0.1822955931738743,0.15042663285587005,0.30249169008292787
EOS-3-43596,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(C)n4)n23)n(C)n1,MBBONMQFIULDJZ-UHFFFAOYSA-N,3,1,0.393,31,662,413.445,2.573,5,0.432,0.66,1.0,0.21241690082927833,0.10786615036666439,0.085026728805428,0.045344733054622714,0.11266362826399835
EOS-3-43597,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5ncccn5)nc4)n23)c(Cl)n1,DKTXGRAKOYFFMK-UHFFFAOYSA-N,3,1,0.4,55,242,416.832,3.792,5,0.407,0.66,1.0,0.637816119525735,0.7050065108628607,0.3254060722363101,0.3277362757864437,0.4989912446028374
EOS-3-43598,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5sc(F)cc5F)ncn4)n23)cc1,NELLGFLLVPKJPZ-UHFFFAOYSA-N,3,1,0.46,89,463,479.472,3.527,5,0.397,0.61,1.0,0.7289596326502639,0.5137756151052019,0.509749160441368,0.3889897882256185,0.535368549105613
EOS-3-43599,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ncn2)nc1,UYGGMUSIUIBBAX-UHFFFAOYSA-N,3,1,0.374,31,842,450.825,2.242,5,0.379,0.5,0.911,0.7105064765951614,0.5941333698855459,0.09214584332807896,0.15043519978068673,0.3868052223973682
EOS-3-43600,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(-c5nncn5C)c(F)c4)n23)n1C,HOOJFQMRHKPBDI-UHFFFAOYSA-N,3,1,0.333,3,642,465.496,4.102,6,0.389,0.6,1.0,0.2373295181961483,0.315014392433692,0.2593122472757179,0.30933452128024125,0.2802476697964499
EOS-3-43601,COc1nc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ccc1-c1nc(C)no1,HALZGJQNSFNELB-UHFFFAOYSA-N,3,1,0.418,49,773,466.408,2.848,5,0.353,0.59,0.999,0.5955726132547461,0.36311767527928174,0.24157871290521554,0.1853625522582414,0.3464078884243712
EOS-3-43602,Cc1nccn1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccsn4)n23)nc1,XSBSKPQUZGGGLA-UHFFFAOYSA-N,3,1,0.282,70,935,437.492,3.866,6,0.413,0.55,1.0,0.010777191419368103,0.018127612912069085,0.18561099307792475,0.18537111918305804,0.099971729148105
EOS-3-43603,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncs5)s4)n23)cn1,JBDHDFFJFUNGOM-UHFFFAOYSA-N,3,1,0.543,27,69,443.464,4.283,5,0.387,0.63,1.0,0.5353128640943047,0.6222157494345829,0.4855989993831814,0.4170121993009389,0.515034953053252
EOS-3-43604,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cncnc5)n34)c(Cl)c2)n1,AXTLJIKSUVGGQF-UHFFFAOYSA-N,3,1,0.31,94,615,465.908,4.364,6,0.381,0.61,1.0,0.1402234253992187,0.23309745733671441,0.5740267973408265,0.6108388732780481,0.38954663833870196
EOS-3-43605,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(C)nc5)c4)n23)nc1,SAXHBXZSUWZIJQ-UHFFFAOYSA-N,3,1,0.53,4,43,409.453,3.839,5,0.435,0.81,1.0,0.3579518196148311,0.27404735796038654,0.46464430128161194,0.33741690082927833,0.358515094921527
EOS-3-43606,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccn1,UOCZIZKIUPJODQ-UHFFFAOYSA-N,3,1,0.517,7,420,420.383,2.839,5,0.404,0.58,1.0,0.4722431635939963,0.4335292303474745,0.4784541840860805,0.43902062915495854,0.45581180179562747
EOS-3-43607,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnc(C)nc5)nc4)n23)n(C)n1,ROKYVBFQMGYNGD-UHFFFAOYSA-N,3,1,0.402,92,986,413.445,2.573,5,0.432,0.69,1.0,0.2770629154958536,0.1940579809471592,0.1212476869302995,0.05907751353574121,0.16286152422726338
EOS-3-43608,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)nc5)n34)cn2)cc1,UDCZKTAPXWLDOO-UHFFFAOYSA-N,3,1,0.307,30,945,417.436,3.7,6,0.466,0.58,1.0,0.06932355561647591,0.10787471729148106,0.42522788020012336,0.46434445891302856,0.2666926530052772
EOS-3-43609,Fc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)nc1,UZSUYEQFPOOAPD-UHFFFAOYSA-N,3,1,0.5,27,82,467.386,4.438,5,0.341,0.7,1.0,0.9428843122472758,0.9435525323829758,0.930599342060174,0.8949266671235693,0.9279907134534987
EOS-3-43610,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cn1,BYZCBQZMSOZJQI-UHFFFAOYSA-N,3,1,0.479,87,858,444.886,3.622,5,0.391,0.53,0.994,0.6712528270851895,0.7233739976697965,0.38890411897745186,0.39201391268590224,0.543886214104585
EOS-3-43611,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cc4)n23)nn1C,BQOUSVVOIIAHPZ-UHFFFAOYSA-N,3,1,0.404,95,51,468.443,4.006,5,0.374,0.61,0.996,0.3715989308477829,0.2844561716126379,0.8665101775066822,0.7331317250359811,0.5639242512507711
EOS-3-43612,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnnnc5F)n34)cn2)[nH]1,ACBXJDJHKAUTFT-UHFFFAOYSA-N,3,1,0.485,65,779,422.359,1.661,5,0.434,0.56,1.0,0.6679545610307724,0.6365053800287849,0.20612877801384416,0.23730381742169832,0.436973134123775
EOS-3-43613,Cn1cncc1-c1cc(COc2cncc3nnc(-c4c(F)ccc(F)c4F)n23)c(Cl)cn1,ACKLDDAXADQHPM-UHFFFAOYSA-N,3,1,0.466,73,877,471.83,4.237,5,0.357,0.64,1.0,0.834846823384278,0.8172760605852923,0.9161640737440888,0.9139195394421219,0.8705516242889453
EOS-3-43614,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3ccnc(C)c3F)n12,PMKNWOGUSUOXCJ-UHFFFAOYSA-N,3,1,0.469,31,456,460.473,3.059,5,0.365,0.56,0.986,0.5278596395038038,0.39161983414433554,0.285150092522788,0.1611095881022548,0.3414347885682955
EOS-3-43615,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5noc(-c6ncon6)n5)n34)cn2)cc1F,MVJKUZSSCWVPPA-UHFFFAOYSA-N,3,1,0.394,80,34,472.4,2.708,6,0.35,0.65,1.0,0.522565279967103,0.5049602494688507,0.08503529573024467,0.085001028030978,0.2993904632992941
EOS-3-43616,Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc(-c2cnccn2)n1,QBZZSHCVGHMJPG-UHFFFAOYSA-N,3,1,0.506,75,324,444.886,3.622,5,0.366,0.56,1.0,0.7134963333561785,0.737440888218765,0.4137653347954218,0.3980450277568364,0.5656868960318004
EOS-3-43617,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5cccc(F)c5F)n34)ncn2)nc1,AEGARFDUIVGUPV-UHFFFAOYSA-N,3,1,0.368,44,971,418.367,3.417,5,0.437,0.57,0.971,0.6982814748817764,0.564526077719142,0.5201751079432527,0.5114711123295183,0.5736134432184223
EOS-3-43618,Cc1ccccc1-c1cnc(Cc2cncc3nnc(-c4ccc(F)cc4)n23)cc1Cl,GEPAZNCKUZPWOH-UHFFFAOYSA-N,3,1,0.425,57,358,429.886,5.545,5,0.376,0.8,1.0,0.512122198615585,0.6609039819066548,0.9152731135631553,0.9394318415461586,0.7569327839078884
EOS-3-43619,COc1ncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1nccn1C,VOVYCOZNGBAYFR-UHFFFAOYSA-N,3,1,0.483,65,657,462.901,3.265,5,0.339,0.62,1.0,0.5327856212733877,0.43353779727229114,0.28168048797203754,0.21953601535192926,0.3668849804674114
EOS-3-43620,N=c1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)cs1,XUTNRJBXSJORDM-UHFFFAOYSA-N,3,1,0.5,75,496,462.926,3.459,5,0.411,0.62,1.0,0.732000890960181,0.6315365636351176,0.38153656363511756,0.3729953395928997,0.5295173394558289
EOS-3-43621,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)c1F,YFHWEQGVSVDTAT-UHFFFAOYSA-N,3,1,0.417,18,194,466.839,3.591,5,0.35,0.59,0.974,0.8348553903090946,0.7890566102391885,0.727666027002947,0.7513107394969502,0.775722191762045
EOS-3-43622,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5cncc(C(F)F)c5)c4)n23)n1,ACRDRYMWJFGJSD-UHFFFAOYSA-N,3,1,0.484,27,43,451.462,4.53,5,0.375,0.7,1.0,0.4577993283530944,0.5049688163936673,0.6557552600918375,0.5740267973408265,0.5481375505448565
EOS-3-43623,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1-c1ccncc1,KALHKIKNBXRXHU-UHFFFAOYSA-N,3,1,0.462,41,59,476.475,4.423,6,0.348,0.71,1.0,0.8225104516482763,0.7506767870605168,0.5270372147214036,0.5149921184291687,0.6538041429648414
EOS-3-43624,Fc1cccc(Oc2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5)n34)ccn2)c1,RZIAGPNSQTZFCP-UHFFFAOYSA-N,3,1,0.658,57,480,433.83,5.563,5,0.361,0.82,1.0,0.773053594681653,0.8210969090535262,0.917115002398739,0.9267099581934068,0.8594938660818312
EOS-3-43625,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)ncn2)ccn1,LEIQPLALMPEUPC-UHFFFAOYSA-N,3,1,0.411,46,238,432.394,3.204,5,0.417,0.52,0.936,0.5837245562332944,0.47302275375231306,0.5540915632924406,0.5048574463710507,0.5289240799122747
EOS-3-43626,CCc1cnc(COc2cncc3nnc(-c4cc(-c5cncn5CC)ncn4)n23)cn1,VBEXRRPZHAKAFM-UHFFFAOYSA-N,3,1,0.343,7,296,428.46,2.396,5,0.384,0.54,0.989,0.1732489205674731,0.05251524912617367,0.04168665615790556,0.020003769446919333,0.07186364882461792
EOS-3-43627,COc1nc(-c2cccnc2C)ccc1-c1nnc2cncc(OCCc3cncc(F)n3)n12,QIQGXKYWQLIMHY-UHFFFAOYSA-N,3,1,0.479,20,279,458.457,3.116,5,0.363,0.57,0.989,0.6525597971352204,0.5459529847166061,0.19220752518675896,0.12539407854156673,0.37902859639503805
EOS-3-43628,FCc1csc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)n1,WCWFPVLUOYTQTR-UHFFFAOYSA-N,3,1,0.5,4,390,419.445,3.753,5,0.414,0.65,1.0,0.38774758412720167,0.4958193406894661,0.2627989856761017,0.25786443698170103,0.35105758686861765
EOS-3-43629,FCc1nc(-c2nnc3cncc(OCc4cnccc4F)n23)ccc1-c1cccc(F)c1,OYNLDPNAXPLERB-UHFFFAOYSA-N,3,1,0.406,59,153,448.408,4.575,5,0.379,0.63,1.0,0.7900161058186553,0.7187307244191625,0.8561184977040641,0.8631776437529984,0.8070107429237201
EOS-3-43630,Cc1ccc(COc2cncc3nnc(-c4cc(Cl)cc(-c5ccc(F)cn5)c4)n23)cc1,AZXRVEUVADMOOZ-UHFFFAOYSA-N,3,1,0.549,57,709,445.885,5.533,5,0.355,0.79,1.0,0.8668699883489822,0.8460180933452128,0.9320128846549243,0.9309677198272908,0.8939671715441024
EOS-3-43631,CCc1cncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)nc2CC)n1,HHBPOBPEAPKPDG-UHFFFAOYSA-N,3,1,0.369,31,690,453.51,3.446,5,0.365,0.58,0.353,0.2880628469604551,0.14137996024946886,0.04796621204852306,0.023233500102803097,0.12516062984031254
EOS-3-43632,COc1cc(-c2nnc3cncc(OCc4cccc(-c5ccc(C#N)nc5)c4)n23)ccc1Cl,HBPNNOCIQVASRA-UHFFFAOYSA-N,3,1,0.511,1,326,468.904,4.966,5,0.347,0.78,1.0,0.9498834898224933,0.944709067233226,0.9219124802960729,0.8854944829004181,0.9254998800630525
EOS-3-43633,Cc1ccc(-c2nnc3cncc(OCc4sncc4-c4ccc(Cl)nc4)n23)cn1,UNINWHVOJDLQHH-UHFFFAOYSA-N,3,1,0.518,55,879,435.9,4.246,5,0.381,0.66,1.0,0.5669333835926256,0.6705589061750394,0.4506373792063601,0.4612346652045782,0.5373410835446508
EOS-3-43635,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NOCCO)cc4)n23)cc1,YLSIPPOZHSQMJC-UHFFFAOYSA-N,3,1,0.396,0,862,418.413,1.211,4,0.302,0.86,1.0,0.3416575286135289,0.07517476526626002,0.3552104036734974,0.17690699746419025,0.23723742375436915
EOS-3-43636,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnnc(Cl)c5)c4)n23)c(F)c1,GJRGNTAYUCLRLN-UHFFFAOYSA-N,3,1,0.554,34,146,468.826,4.898,5,0.365,0.72,1.0,0.9513998355150435,0.9660578438763622,0.9698529915701459,0.9759012404907135,0.9658029778630662
EOS-3-43637,Cc1ccc(-c2nnc3cncc(CCc4nc(-c5cnccn5)ncc4F)n23)cn1,LFIWMCMBFPNHPI-UHFFFAOYSA-N,3,1,0.366,85,580,413.42,2.666,5,0.433,0.63,1.0,0.40938763621410457,0.4686450551709958,0.09435610993077925,0.11391439928723185,0.27157580015077787
EOS-3-43638,COc1ccc(COc2ccc(Cl)cc2-c2cncc3nnc(-c4ccc(C)cc4)n23)cn1,RDHHKMBUNOSSJC-UHFFFAOYSA-N,3,1,0.388,62,3,457.921,5.403,5,0.339,0.84,1.0,0.5121307655404016,0.6410629840312522,0.8635802892193818,0.7833853060105544,0.7000398362003974
EOS-3-43639,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)cn6)nc5)n34)cc2)COC1,JHLRSOHEPOFYDE-UHFFFAOYSA-N,3,1,0.363,62,139,481.491,3.573,6,0.409,0.66,1.0,0.34645500651086286,0.2740559248852032,0.47175484887944624,0.4203018984305394,0.3781419196765129
EOS-3-43640,CCc1ncc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)(F)F)nn5)n34)nc2)o1,MZLPBHABPVUEEI-UHFFFAOYSA-N,3,1,0.325,85,476,452.4,3.803,5,0.396,0.54,1.0,0.2691984785141526,0.33904461654444523,0.6413799602494689,0.46759989034336236,0.4293057364128573
EOS-3-43641,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nc1F,MSVVZEJFGHZCGR-UHFFFAOYSA-N,3,1,0.422,31,578,464.892,3.879,5,0.337,0.65,1.0,0.6319220752518676,0.5182989514084024,0.4820694263587143,0.4737081077376465,0.5264996401891577
EOS-3-43642,Cc1cnnc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)c1,QUDCMRGMGBYMPO-UHFFFAOYSA-N,3,1,0.421,46,122,430.859,3.579,5,0.39,0.55,1.0,0.3943955177849359,0.44218182441230897,0.3889126859022685,0.4011548214652868,0.4066612123912
EOS-3-43643,Cc1nnc(-c2cnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nc2F)s1,UBWQIAJXUJWYGS-UHFFFAOYSA-N,3,1,0.375,73,564,473.856,3.314,5,0.354,0.64,1.0,0.6348947981632513,0.5507418956891235,0.22714344458913027,0.3214738537454595,0.43356349804674116
EOS-3-43644,c1coc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6nccs6)s5)n34)s2)n1,NAAZIKAMVFTGJQ-UHFFFAOYSA-N,3,1,0.282,76,272,436.507,4.15,6,0.405,0.58,1.0,0.03382221917620451,0.029101843602220547,0.013013158796518402,0.018633061476252485,0.023642570762798985
EOS-3-43645,Fc1cnccc1-c1ccnc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c1,MJCBUSOWIVUOPT-UHFFFAOYSA-N,3,1,0.446,18,265,449.396,3.682,5,0.391,0.53,0.998,0.790024672743472,0.6705674730998561,0.8465663765334795,0.8442875745322459,0.7878615242272634
EOS-3-43647,FC(F)c1ccc(-c2nnc3cncc(OCc4cnncc4-c4ncc(Cl)cn4)n23)nc1,WMIUECCBUSYUJC-UHFFFAOYSA-N,3,1,0.4,46,382,467.827,3.603,5,0.369,0.58,1.0,0.7929202933315057,0.7326862449455144,0.6616064697416215,0.657057432663971,0.7110676101706531
EOS-3-43648,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)nn(C)c2=O)c(C)n1,NOECAZHXCYSLFO-UHFFFAOYSA-N,3,1,0.372,31,851,456.47,1.37,5,0.368,0.54,1.0,0.09095504077856213,0.013689945857035158,0.012019395517784935,0.005662737303817422,0.030581779864299913
EOS-3-43649,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1-c1cncnc1,GHZLLKWSUZEYNX-UHFFFAOYSA-N,3,1,0.359,80,584,468.416,1.936,6,0.381,0.55,1.0,0.6378246864505517,0.5792354876293606,0.11824926324446576,0.11149852648893153,0.3617019909533274
EOS-3-43650,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cnn2)s1,BSXIHPCMZLJXAM-UHFFFAOYSA-N,3,1,0.414,53,226,470.482,2.167,6,0.38,0.61,0.982,0.42789219381810706,0.4014546638338702,0.026411829209786856,0.020012336371736,0.21894275580837505
EOS-3-43651,Cc1c(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cn2)ncn1C,HOCCHKJOLFIHIQ-UHFFFAOYSA-N,3,1,0.441,55,564,450.865,3.662,5,0.403,0.54,1.0,0.707499485984511,0.6410715509560688,0.5270457816462203,0.4979182372695497,0.5933837639640874
EOS-3-43652,Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)c2)n[nH]1,PNHVIRLLOMUCSK-UHFFFAOYSA-N,3,1,0.429,18,698,450.865,3.694,5,0.393,0.56,1.0,0.5926512918922624,0.5792440545541773,0.5637036529367419,0.5546655472551573,0.5725661366595847
EOS-3-43653,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)cnn3)n12,VSIHXWJPMDENCZ-UHFFFAOYSA-N,3,1,0.462,65,466,415.392,2.194,5,0.411,0.61,1.0,0.6407888424371188,0.5183075183332191,0.3104996230553081,0.31231581111644163,0.44547794873552193
EOS-3-43654,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ccn2)nn1,DIZPTDHLPBVALN-UHFFFAOYSA-N,3,1,0.46,53,662,413.445,2.573,5,0.432,0.67,1.0,0.215081214447262,0.13761051333013502,0.09656637653347955,0.05193269823864026,0.1252977006373792
EOS-3-43655,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)s1,IOMKCYFVZCOCIT-UHFFFAOYSA-N,3,1,0.494,4,464,435.9,4.246,5,0.381,0.63,1.0,0.4895483517236653,0.6656414913302721,0.3513895552052635,0.3565554108697142,0.46578370228222876
EOS-3-43656,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccn1,ISCLVOGZEVZQJH-UHFFFAOYSA-N,3,1,0.617,11,201,412.428,4.009,5,0.419,0.74,1.0,0.9005979713522034,0.817284627510109,0.6992923720101433,0.7031817558769105,0.7800891816873416
EOS-3-43657,FCc1cc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ccn4)n23)ccc1Cl,WHZXJPJTSWWEBS-UHFFFAOYSA-N,3,1,0.5,4,71,465.851,4.484,5,0.365,0.64,0.997,0.8374940031526283,0.9320385854293742,0.8465749434582962,0.8326108560071277,0.8621795970118566
EOS-3-43658,Fc1ccnc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ccc(F)nc5)c4)n23)c1,CJFXJLLFCKCKAN-UHFFFAOYSA-N,3,1,0.516,11,525,465.851,4.196,5,0.347,0.62,1.0,0.8812795558906175,0.930290932766774,0.780249811527654,0.8078096086628743,0.8499074772119799
EOS-3-43659,Cc1cnc(-c2occc2-c2nnc3cncc(-c4cnc(-c5ccc(F)cc5F)nc4)n23)cn1,SXDPXQUIROGTIW-UHFFFAOYSA-N,3,1,0.344,94,72,468.427,4.552,6,0.371,0.62,1.0,0.3244380097320266,0.3585772051264478,0.6319991775752176,0.640189157699952,0.488800887533411
EOS-3-43660,Fc1cccc(C#Cc2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)c1,YZPIWKQHQNPJOW-UHFFFAOYSA-N,3,1,0.57,59,929,474.858,4.492,5,0.357,0.72,1.0,0.9407768487423754,0.9788396957028305,0.9458313343842094,0.9474761839490097,0.9532310156946062
EOS-3-43661,Cn1nc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1cncc(Cl)c1,KYEVCJOXKHGSRH-UHFFFAOYSA-N,3,1,0.418,95,694,424.877,3.276,5,0.427,0.6,0.997,0.3554417106435474,0.3631262422040984,0.20969261873757797,0.27252244534301967,0.30019575423206085
EOS-3-43662,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nn5)s4)n23)nc1,BGKGOECPVOAYBB-UHFFFAOYSA-N,3,1,0.381,33,760,479.913,2.692,5,0.39,0.59,0.953,0.4116493043657049,0.34414193681036254,0.07141388527174286,0.057595435542457676,0.221200140497567
EOS-3-43663,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)cnc2Cl)o1,RMJHKXXIJLZVOT-UHFFFAOYSA-N,3,1,0.474,87,132,452.837,3.354,5,0.357,0.61,1.0,0.7348194092248647,0.732694811870331,0.33288499760126106,0.3405352614625454,0.5352336200397505
EOS-3-43664,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5cncc(Cl)c5)c4)n23)nc1Cl,SRTHLBNYSIEUKV-UHFFFAOYSA-N,3,1,0.411,2,419,469.267,4.063,5,0.355,0.68,1.0,0.7289681995750805,0.7722397368240697,0.6829895140840244,0.7692413131382358,0.7383596909053526
EOS-3-43665,Cc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,AEHYYXITEYGSHR-UHFFFAOYSA-N,3,1,0.479,73,263,464.411,3.386,5,0.352,0.6,1.0,0.885057569734768,0.8786152422726338,0.5303868823247208,0.4948084435610993,0.6972170344733055
EOS-3-43666,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)n1,JTKOQTVMZMKDAO-UHFFFAOYSA-N,3,1,0.386,44,531,464.411,3.386,5,0.352,0.6,0.936,0.7584384209444178,0.6460832019738195,0.4956137344938661,0.49170721677746554,0.5979606435473922
EOS-3-43667,Cn1nncc1-c1cccc(-c2nnc3cncc(COCc4cnc(Cl)c(F)c4)n23)c1,GLYCVIIZYYOSLS-UHFFFAOYSA-N,3,1,0.465,14,351,450.865,3.491,5,0.365,0.55,1.0,0.3321311082173943,0.3488965800836132,0.6382016311424851,0.6460746350490028,0.4913259886231238
EOS-3-43668,Cc1c(F)ccc(COc2cncc3nnc(-c4cncc(-c5ccnc(F)c5)c4)n23)c1F,QYRQLIHPGUKIPH-UHFFFAOYSA-N,3,1,0.456,59,884,448.408,4.553,5,0.367,0.67,1.0,0.7788534027825372,0.7972551572887396,0.9517339455828936,0.9325440339935577,0.8650966349119321
EOS-3-43669,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)ccn1,DRMDHHZCMSRRMF-UHFFFAOYSA-N,3,1,0.467,59,624,467.867,4.58,5,0.34,0.72,1.0,0.6679631279555891,0.6266105818655335,0.8418802686587622,0.8285244328695771,0.7412446028373654
EOS-3-43670,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(F)c4)n23)cn1,WHNPTPRBJBQMDG-UHFFFAOYSA-N,3,1,0.424,63,9,406.396,2.948,5,0.551,0.74,1.0,0.2910355698718388,0.3203087519703927,0.38525460900555136,0.5150006853539854,0.37789990405044205
EOS-3-43671,Fc1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1C1CC1,BDPOOAHMRLFECQ-UHFFFAOYSA-N,3,1,0.3,50,261,410.416,3.722,6,0.446,0.78,0.916,0.279967103008704,0.3390531834692619,0.13525460900555136,0.29056438900692205,0.2612098211226098
EOS-3-43672,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5ncc(F)nn5)ccn4)n23)cn1,PJYPVEHZKFJEQY-UHFFFAOYSA-N,3,1,0.456,7,828,416.38,1.855,5,0.418,0.58,1.0,0.49963162223288327,0.4555290932766774,0.09929065862517991,0.08500959495579467,0.2848652422726338
EOS-3-43673,Fc1cc(Cl)cnc1-c1nccnc1-c1nnc2cncc(-c3nnc(-c4ccccc4)o3)n12,DHJKXGKVAHADMM-UHFFFAOYSA-N,3,1,0.291,39,365,471.843,4.153,6,0.373,0.65,0.771,0.2557227057775341,0.34415050373517925,0.22715201151394696,0.39202247961071895,0.3047619251593448
EOS-3-43674,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)ccn2)sn1,BLZHWJLUDPLCTO-UHFFFAOYSA-N,3,1,0.688,11,159,448.939,4.893,5,0.368,0.72,1.0,0.6893804399972586,0.7765060653827702,0.5336166129806045,0.5676016037283257,0.6417761805222397
EOS-3-43675,CC(F)(F)C=Cc1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,YJBSDOPLIMXDDR-UHFFFAOYSA-N,3,1,0.561,48,12,427.842,5.087,4,0.429,0.68,0.974,0.8941727777397026,0.9534387636214104,0.9522993626207936,0.9061407717085875,0.9265129189226236
EOS-3-43676,COc1ncccc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cn1,RABAUPYHOIOHNL-UHFFFAOYSA-N,3,1,0.443,13,724,466.835,4.981,5,0.361,0.71,1.0,0.8578404495922144,0.8555616475909807,0.8733637173600165,0.8305633609759441,0.8543322938797889
EOS-3-43678,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cc(Cl)ccn5)s4)n23)cc1,ANPWGPCTFGUJIV-UHFFFAOYSA-N,3,1,0.333,38,42,471.937,4.426,6,0.375,0.69,1.0,0.1516088684805702,0.23828044685079844,0.22345966691796312,0.32774484271126036,0.23527345624014803
EOS-3-43679,Cc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1cccnc1,NFXPOEGWTGYRKN-UHFFFAOYSA-N,3,1,0.518,13,573,432.846,5.142,5,0.391,0.67,1.0,0.809420190528408,0.7722483037488863,0.8500531149338634,0.8631862106778151,0.8237269549722431
EOS-3-43680,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cc(-c5nncs5)ccc4F)n23)cc1,RHQJNMBUFYAEIM-UHFFFAOYSA-N,3,1,0.313,3,498,471.456,4.107,6,0.378,0.61,1.0,0.187615653485025,0.3535141525597971,0.5133644027140017,0.6430333767390858,0.42438189637447743
EOS-3-43681,Fc1cc(-c2nnc3ccccn23)ccc1-c1nnc2cncc(OCc3cc(Cl)ccn3)n12,XBNIXXYMCWJPOY-UHFFFAOYSA-N,3,1,0.57,34,71,472.871,4.268,6,0.369,0.65,1.0,0.6741484476732232,0.7890651771640053,0.6413885271742855,0.7303046398464808,0.7087266979644986
EOS-3-43682,Cc1ccnc(COc2cncc3nnc(-c4cccc(-c5ccc(C)nn5)c4)n23)c1,JPFHEQNVTKXRMH-UHFFFAOYSA-N,3,1,0.523,72,506,409.453,3.839,5,0.435,0.8,1.0,0.3195634295113426,0.29977383318483997,0.4137739017202385,0.3214824206702762,0.3386483962716743
EOS-3-43683,CCc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)c2)cn1,CBQKMOJHPOITQL-UHFFFAOYSA-N,3,1,0.394,92,986,427.472,2.827,5,0.407,0.55,1.0,0.21796826811047906,0.14138852717428552,0.09657494345829622,0.04946542389143993,0.12634929065862519
EOS-3-43684,Fc1cncc(CCOc2cncc3nnc(-c4ccc(Cl)nc4-c4ncccn4)n23)c1F,CQVPXRPARGYJLV-UHFFFAOYSA-N,3,1,0.473,73,262,466.839,3.591,5,0.35,0.61,0.998,0.947236310054143,0.9480673017613598,0.5571927900760743,0.622575560276883,0.768767990542115
EOS-3-43685,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nn2C)cn1,FFGCKGWVHSOKKL-UHFFFAOYSA-N,3,1,0.43,31,569,447.89,2.96,5,0.365,0.59,1.0,0.3944040847097526,0.3293211568775272,0.1661640737440888,0.16889692276060586,0.26469655952299365
EOS-3-43686,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncccc3-c3ccccc3)n12,CBNKBXSVGGNCAW-UHFFFAOYSA-N,3,1,0.588,57,709,431.858,5.225,5,0.381,0.76,1.0,0.8626036597902816,0.9545096292234939,0.8825217599890344,0.9128229730655884,0.9031145055170996
EOS-3-43687,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cc5)n34)cc2)n(C)n1,JLGYVZZQRZVCFW-UHFFFAOYSA-N,3,1,0.338,9,98,449.543,5.291,6,0.366,0.74,1.0,0.08594338976081146,0.12007401823041601,0.39627167431978616,0.42031046535535604,0.2556498869165924
EOS-3-43688,c1cnnc(-c2cccc(COc3cncc4nnc(-c5cc(-c6ccoc6)ncn5)n34)n2)c1,VLSNKRPZOCUNFU-UHFFFAOYSA-N,3,1,0.4,6,984,449.434,3.272,6,0.373,0.56,0.755,0.2639897882256185,0.12730450277568364,0.2344852991570146,0.21108046055787816,0.20921501267904874
EOS-3-43689,Cn1ncc(-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)c1-c1ccc(F)c(Cl)c1,VKEVHBYRDYOLPF-UHFFFAOYSA-N,3,1,0.306,22,315,455.831,4.984,5,0.382,0.67,1.0,0.19870982112260982,0.38247035844013433,0.9498749228976766,0.9567027619765609,0.6219394661092454
EOS-3-43690,Cc1ccnc(-c2cccc(Cc3cncc4nnc(-c5ccc(Cl)c(CF)c5)n34)n2)c1,ZKZXTERJLWHORJ-UHFFFAOYSA-N,3,1,0.364,14,358,444.901,5.27,5,0.369,0.73,0.981,0.40285107257898706,0.5412240422178055,0.7779538756767871,0.792629017887739,0.6286645020903296
EOS-3-43691,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5cc(C(F)F)ncn5)c4)n23)cc1F,ICCBLFLJNOCXMY-UHFFFAOYSA-N,3,1,0.57,59,294,467.386,4.438,5,0.341,0.71,0.998,0.8941813446645193,0.8702453567267494,0.9599410595572613,0.9333150572270578,0.9144207045438969
EOS-3-43692,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(C)nn5)ccn4)n23)cn1,CKXODUSTFMYAIP-UHFFFAOYSA-N,3,1,0.542,53,348,410.441,3.234,5,0.435,0.73,1.0,0.3486567061887465,0.13761908025495168,0.2961500239873895,0.19614831060242616,0.24464353025837848
EOS-3-43693,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)ncn2)n1C,VKRZTSHMNQNTTD-UHFFFAOYSA-N,3,1,0.389,7,128,417.408,2.403,5,0.429,0.58,1.0,0.4600095949557947,0.3776471797683503,0.13855287505996847,0.12079363991501611,0.2742508224247824
EOS-3-43694,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ncn4)n23)cc1,WXFOFOFJPHAVQS-UHFFFAOYSA-N,3,1,0.489,89,675,413.416,3.67,5,0.406,0.72,1.0,0.7320094578849976,0.7233825645946131,0.65014392433692,0.5770080871770269,0.6706360084983893
EOS-3-43695,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5c(F)ccc(F)c5Cl)cn4)n23)cc1,CZCQWNHOTIKPRR-UHFFFAOYSA-N,3,1,0.582,34,929,468.826,4.898,5,0.341,0.76,1.0,0.9438181070522925,0.9688506613665958,0.9485898841751764,0.960360838873278,0.9554048728668357
EOS-3-43696,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cnc(Cl)c(-c6cn(C)nn6)c5)n34)cn2)n1,NUNIKGZPAVZTAV-UHFFFAOYSA-N,3,1,0.326,86,968,471.872,3.056,6,0.352,0.64,1.0,0.17325748749228978,0.2997824001096566,0.12375779590158317,0.15044376670550338,0.18681036255225825
EOS-3-43697,CCc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(F)cn6)nc5)n34)cn2)cn1,ULMVWLAWKNODCE-UHFFFAOYSA-N,3,1,0.385,86,790,476.479,3.864,6,0.365,0.63,0.999,0.2799756699335207,0.3963402097183195,0.32171372764032624,0.2934857103694058,0.3228788294153931
EOS-3-43698,CCn1c(-c2cn(C)nc2C)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(C)nn4)nc3)n12,OPKXPXRBXIFWGJ-UHFFFAOYSA-N,3,1,0.289,99,754,478.524,2.939,6,0.367,0.64,0.695,0.03793434308820506,0.021914193681036254,0.012027962442601604,0.009235144952367899,0.020277911041052702
EOS-3-43699,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)n1,ZYNQLBAHNXETGX-UHFFFAOYSA-N,3,1,0.317,3,150,456.922,4.816,6,0.353,0.68,1.0,0.03136351175382085,0.18118189294770748,0.5506819272154068,0.6167757521759989,0.3450007710232335
EOS-3-43700,COc1nc(C)nc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,HCPBOAUSLVSQTI-UHFFFAOYSA-N,3,1,0.427,18,840,474.912,3.63,5,0.326,0.7,0.998,0.6206994037420328,0.5893787266122953,0.16304571311082175,0.15564389006922075,0.38219193338359264
EOS-3-43701,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)n2)cn1,KWHDMBRZPWPYTH-UHFFFAOYSA-N,3,1,0.267,39,114,453.857,2.939,6,0.37,0.53,0.834,0.010785758344184772,0.11672435062709889,0.09658351038311287,0.179931121924474,0.10100618531971764
EOS-3-43702,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nncs5)cc(F)c4Cl)n23)cc1,AEKPZWJKXGXIRP-UHFFFAOYSA-N,3,1,0.542,43,909,452.902,4.99,5,0.374,0.7,1.0,0.9101415255979713,0.9271897059831403,0.8320711397436776,0.8326194229319444,0.8755054485641834
EOS-3-43703,COc1ncc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)cc1-c1ccccc1,AQJHAKMJBINCPW-UHFFFAOYSA-N,3,1,0.552,91,732,459.456,4.762,5,0.349,0.72,1.0,0.897539579192653,0.8786238091974505,0.8546878212596807,0.812487149612775,0.8608345898156399
EOS-3-43704,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5nc[nH]n5)ccn4)n23)c(F)c1,PHJXOLLRLRCUCD-UHFFFAOYSA-N,3,1,0.424,46,348,413.376,2.561,5,0.465,0.65,1.0,0.7197758892467959,0.5507504626139401,0.6443783839353026,0.6167843191008155,0.6329222637242136
EOS-3-43705,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)cc1=O,NGRUNRGGIRJPFS-UHFFFAOYSA-N,3,1,0.449,15,482,478.875,2.756,5,0.366,0.65,1.0,0.477383318483997,0.4816924816667809,0.3626550613391817,0.40398190665478717,0.4314281920361867
EOS-3-43706,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccn1,RDYMTLXAUYSHFR-UHFFFAOYSA-N,3,1,0.473,7,624,450.865,3.836,5,0.388,0.56,1.0,0.4649184428757453,0.4421903913371256,0.4991690082927832,0.494817010485916,0.4752737132478925
EOS-3-43707,Cn1ccc(-c2ncsc2COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)n1,DXYSOFZXUBDZKY-UHFFFAOYSA-N,3,1,0.418,6,297,467.518,3.684,6,0.365,0.65,1.0,0.3645911863477486,0.2948906860393393,0.12376636282639984,0.1162703036118155,0.22487963470632583
EOS-3-43708,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5F)n34)cc2)n1,KPFREYIUGURBFK-UHFFFAOYSA-N,3,1,0.473,52,451,483.507,4.324,6,0.386,0.79,1.0,0.52516962511137,0.45096292234939345,0.3181327530669591,0.32149098759509287,0.40393907203070384
EOS-3-43709,CCc1nc(-c2nnc3cncc(OCc4ccnc(C(F)F)c4)n23)ccc1-c1ccccn1,XUMVMHHCAIOXRE-UHFFFAOYSA-N,3,1,0.436,49,348,459.46,4.722,5,0.348,0.69,0.7,0.652568364060037,0.5366236035912549,0.6413970940991022,0.5282280172709204,0.5897042697553287
EOS-3-43710,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nccc(F)c5F)ccn4)n23)c(F)c1,GDYXBOIJHTZZLE-UHFFFAOYSA-N,3,1,0.465,59,71,477.406,3.344,5,0.398,0.59,0.997,0.6152679734082653,0.5412326091426222,0.7973922280858063,0.7358388732780481,0.6724329209786855
EOS-3-43711,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)n4)n23)c1F,GTIKJPGGKNOWTG-UHFFFAOYSA-N,3,1,0.44,18,262,440.345,2.67,5,0.367,0.59,1.0,0.7228514152559797,0.5459615516414228,0.5170396134603523,0.528236584195737,0.578522291138373
EOS-3-43712,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(CC#N)nc4)n23)c(F)c1,YPRWPKSHOCNWFB-UHFFFAOYSA-N,3,1,0.349,82,336,411.404,2.854,5,0.447,0.71,1.0,0.24521965595229936,0.29979096703447333,0.5864916729490782,0.589541498183812,0.4302609485299157
EOS-3-43713,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1ccccn1,PPZKEAUKYXAOAD-UHFFFAOYSA-N,3,1,0.545,88,265,464.863,4.801,5,0.359,0.67,1.0,0.979782057432664,0.9702556370365294,0.9022942224659036,0.9162069083681722,0.9421347063258173
EOS-3-43714,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4cncs4)nc3)n12,XUIXDZCGPWZPAJ-UHFFFAOYSA-N,3,1,0.471,2,564,439.863,4.076,5,0.407,0.58,1.0,0.7702522102666027,0.8057364128572407,0.6938609416763758,0.7059231718182442,0.7439431841546158
EOS-3-43715,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccnnc5)c4)n23)ccn1,RANQOSMOQJOTCS-UHFFFAOYSA-N,3,1,0.549,75,496,414.404,2.799,5,0.391,0.68,1.0,0.764623740662052,0.6949832088273593,0.5236275786443698,0.47653519292714686,0.614942430265232
EOS-3-43716,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)nn1C,DGGBQLFEBJAYEL-UHFFFAOYSA-N,3,1,0.368,31,569,467.896,3.217,5,0.362,0.59,0.984,0.2910441367966555,0.22824857789048042,0.20613734493866082,0.24314646014666574,0.24214412994311563
EOS-3-43717,CCOc1cnc(-c2ncccc2-c2nnc3cncc(Cc4ccc(Cl)cn4)n23)nc1F,IMEKNWJDYVDXNQ-UHFFFAOYSA-N,3,1,0.327,85,260,462.876,3.82,5,0.351,0.59,0.716,0.507067712973751,0.5230707285312864,0.2996538962374066,0.3405438283873621,0.41758404153245154
EOS-3-43718,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(-c2ccnc(F)c2)cn1,VNNBVGMNVFROPZ-UHFFFAOYSA-N,3,1,0.622,11,384,460.9,4.971,5,0.333,0.74,1.0,0.9145791926530052,0.8811681858680008,0.8482797614968131,0.8442961414570626,0.8720808203687204
EOS-3-43719,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn[nH]5)cc4Cl)n23)nc1,FSJWLOGKTJBDHR-UHFFFAOYSA-N,3,1,0.269,42,693,470.859,3.888,6,0.385,0.61,0.997,0.24522822287711604,0.382478925364951,0.6693424028510726,0.7488605989993832,0.5114775375231307
EOS-3-43720,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1-c1cscn1,OTMWDEITJRFWCD-UHFFFAOYSA-N,3,1,0.632,84,360,466.473,4.218,5,0.355,0.66,1.0,0.7528270851895004,0.6609125488314714,0.7044410938249606,0.6167928860256322,0.6837434034678912
EOS-3-43721,CCn1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4Cl)n23)n1,HAIYEKHACZQYQW-UHFFFAOYSA-N,3,1,0.442,58,24,464.892,3.879,5,0.337,0.67,1.0,0.45563189637447743,0.5003512439174834,0.2486978274278665,0.3027294222465904,0.37685259749160444
EOS-3-43722,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c(Cl)n2)s1,RCQKXVLGFUXVIU-UHFFFAOYSA-N,3,1,0.449,58,97,454.878,3.78,5,0.369,0.63,1.0,0.6741570145980399,0.7327033787951477,0.2851586594476047,0.34374785826879584,0.5089417277773971
EOS-3-43723,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)ccn1,SEQLVOABUJBMMH-UHFFFAOYSA-N,3,1,0.41,18,194,462.876,3.783,5,0.336,0.61,0.999,0.6525769309848537,0.5691350832705092,0.5201836748680694,0.515009252278802,0.5642262353505585
EOS-3-43724,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4Cl)n23)c1,IWWQVOIXRSCRKV-UHFFFAOYSA-N,3,1,0.276,64,27,480.923,4.068,6,0.371,0.72,1.0,0.17326605441710644,0.29979953395929,0.25567987115345076,0.38251319306421766,0.2778146631485162
EOS-3-43725,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cccc(-c5cc[nH]n5)n4)n23)nc1,KUZYTZKSDHXFDX-UHFFFAOYSA-N,3,1,0.255,76,368,418.424,3.095,6,0.463,0.55,0.671,0.07327290795695977,0.11095881022548146,0.17273490507847303,0.2110890274826948,0.14201391268590224
EOS-3-43726,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccnc(-c4cncn4C)c3)n12,LVGRLTUPRLRWRR-UHFFFAOYSA-N,3,1,0.518,31,359,415.461,2.25,5,0.419,0.66,1.0,0.22629531903228017,0.11096737715029813,0.08737406620519499,0.05194126516345693,0.11914450688780756
EOS-3-43727,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,MLINQKMBROUEHN-UHFFFAOYSA-N,3,1,0.516,37,931,464.892,3.879,5,0.36,0.6,1.0,0.47971352203413065,0.47759749160441367,0.40343362346652045,0.45500651086286065,0.45393778699198134
EOS-3-43728,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cnco5)c(Cl)nn4)n23)ccc1Cl,QXFFMZDBPIQEPV-UHFFFAOYSA-N,3,1,0.61,84,308,472.267,4.304,5,0.36,0.69,1.0,0.8774758412720169,0.784995887876088,0.7431464601466657,0.8124957165375917,0.8045284764580906
EOS-3-43729,Cc1cncc(CCOc2cncc3nnc(-c4cc(-c5cncn5C)n(C)n4)n23)c1F,GWBXKXJCPSTIAG-UHFFFAOYSA-N,3,1,0.435,31,569,433.451,2.389,5,0.405,0.54,0.942,0.33213967514221093,0.18119045987252416,0.20247926804194366,0.15841957370982113,0.21855724419162498
EOS-3-43730,COc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1,RHRSHKHPBZJVCG-UHFFFAOYSA-N,3,1,0.374,0,437,404.405,2.893,5,0.55,0.9,1.0,0.47739188540881367,0.39634877664313617,0.2556884380782674,0.2725310122678363,0.3504900280995134
EOS-3-43731,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ccsc4)ccn3)n12,MJSMGEPWXWPAHC-UHFFFAOYSA-N,3,1,0.4,46,160,438.875,4.681,5,0.371,0.68,1.0,0.695351586594476,0.6082002604345145,0.79977383318484,0.8206685628126927,0.7309985607566308
EOS-3-43732,CCOc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)nc1,SZCUAACMFOMXFC-UHFFFAOYSA-N,3,1,0.471,51,196,478.875,3.809,5,0.344,0.69,1.0,0.7043811253512439,0.7142673565896785,0.4360650400932081,0.4139109725173052,0.5671561236378589
EOS-3-43733,Cc1nc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1cnnn1C,CBTDSKBOAZGZCJ-UHFFFAOYSA-N,3,1,0.396,31,814,449.425,2.585,5,0.389,0.5,0.632,0.4279007607429237,0.3631348091289151,0.25569700500308407,0.2548917140703173,0.32540607223631
EOS-3-43734,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccnnc4-c4ccc(F)cc4)n23)s1,SIMNNJALDLKQSA-UHFFFAOYSA-N,3,1,0.325,76,750,455.482,3.911,6,0.397,0.55,1.0,0.1350918374340347,0.304802618052224,0.26280755260091837,0.35656397779453086,0.264816496470427
EOS-3-43735,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cnn2)cn1,YTZOFYJQRSGMGA-UHFFFAOYSA-N,3,1,0.505,87,778,428.431,3.107,5,0.406,0.51,0.998,0.6804023027893907,0.7187392913439792,0.4072030703858543,0.3730039065177164,0.5448371427592351
EOS-3-43736,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c(F)c2)cn1,QCGSXZFSAFYPHA-UHFFFAOYSA-N,3,1,0.476,13,145,450.836,5.281,5,0.37,0.73,1.0,0.8601620862175313,0.9162583099170721,0.9370331025974916,0.9359965046946748,0.9123625008566925
EOS-3-43737,Fc1cncc(COc2cncc3nnc(-c4cc(Cl)c(-c5cccnc5F)cn4)n23)c1,CGTNERZZFMFNMZ-UHFFFAOYSA-N,3,1,0.419,46,89,451.824,4.154,5,0.371,0.58,1.0,0.8793519978068672,0.7850044548009046,0.8591683229387979,0.8741690082927832,0.8494234459598382
EOS-3-43738,CCn1cncc1-c1cc(F)c(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1F,RRHAZTVHTPZBTL-UHFFFAOYSA-N,3,1,0.624,88,70,464.451,4.714,5,0.349,0.69,1.0,0.7985144952367899,0.7506853539853334,0.8871564663148516,0.8680265231992325,0.8260957096840518
EOS-3-43739,Cc1ncc(-c2ccc(-c3nnc4cncc(Cc5cccc(Cl)c5F)n34)cc2)o1,SEBUSCGWUCGLBZ-UHFFFAOYSA-N,3,1,0.413,14,358,419.847,5.138,5,0.403,0.76,1.0,0.49700157631416625,0.6266191487903502,0.8966229182372696,0.8977109176889864,0.729488640257693
EOS-3-43740,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4noc(-c5ccns5)n4)n23)cn1,VUDBQDLJEOHOCB-UHFFFAOYSA-N,3,1,0.38,80,34,458.467,2.672,6,0.366,0.59,1.0,0.3785381399492838,0.29980810088410664,0.02537523130697005,0.02002090329655267,0.1809355938592283
EOS-3-43741,Cn1cncc1-c1c(Cl)cc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)cc1Cl,KXABVPOKXHJHCZ-UHFFFAOYSA-N,3,1,0.578,16,214,477.315,4.344,5,0.371,0.69,0.998,0.7012027962442602,0.7095983825645946,0.8531800424919471,0.8498475087382633,0.7784571825097664
EOS-3-43742,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(F)cnc6F)nn5)n34)nc2)o1,JAFJIQSZMKCOFI-UHFFFAOYSA-N,3,1,0.272,70,387,468.427,4.552,6,0.347,0.7,0.968,0.2937255842642725,0.294899252964156,0.6616150366664382,0.6488331848399699,0.47476826468370914
EOS-3-43743,CCn1cncc1-c1cccc(-c2cncc3nnc(-c4cnc(C)nc4-c4ccccc4)n23)n1,QVJJVMVRQQZSCT-UHFFFAOYSA-N,3,1,0.284,76,321,459.517,4.502,6,0.374,0.63,0.72,0.1297632101980673,0.05252381605099034,0.19221609211157564,0.19367246933040916,0.1420438969227606
EOS-3-43744,Fc1cc(-c2ncnnc2-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)ccc1Cl,NPHHXKOXSBDQRN-UHFFFAOYSA-N,3,1,0.44,46,511,470.255,3.458,5,0.356,0.63,0.999,0.7407648550476321,0.67515934480159,0.5506904941402234,0.6688369542868892,0.6588629120690837
EOS-3-43745,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncn1,VMOCLBCZKAPHJE-UHFFFAOYSA-N,3,1,0.457,7,185,435.398,2.893,5,0.401,0.5,0.991,0.5725275854979097,0.4730313206771297,0.45437255842642726,0.33413576862449457,0.45851680830649033
EOS-3-43746,CCc1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cccnc1,ADKZHHXSVVQZLV-UHFFFAOYSA-N,3,1,0.586,11,198,456.937,5.086,5,0.339,0.74,1.0,0.634903365088068,0.7374494551435816,0.5637122198615585,0.6045164827633472,0.6351453807141388
EOS-3-43747,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1,TWKXZYNAHKUIHK-UHFFFAOYSA-N,3,1,0.532,68,12,406.755,3.833,4,0.512,0.83,1.0,0.9226492358303063,0.927198272907957,0.9809385922829141,0.9620399561373449,0.9482065142896305
EOS-3-43748,COc1cc(-c2nnc3cncc(OCCc4cnn5ccccc45)n23)ccc1-c1cccnc1,IJFASQYFHQHRGB-UHFFFAOYSA-N,3,1,0.5,40,955,463.501,4.131,6,0.351,0.65,1.0,0.5020817627304502,0.40146323075868684,0.5303954492495374,0.467608457268179,0.4753872250017134
EOS-3-43749,Cc1nccc(CCOc2cncc3nnc(-c4cccc(-c5ncno5)c4)n23)c1F,VORPSHXXVIZLLO-UHFFFAOYSA-N,3,1,0.527,15,438,417.404,3.305,5,0.414,0.63,1.0,0.6556181892947708,0.5459701185662394,0.4543811253512439,0.37939483243095057,0.5088410664108012
EOS-3-43750,COc1ncc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1cnc(C)cn1,UNDGSMDYUINBDD-UHFFFAOYSA-N,3,1,0.457,7,85,460.885,3.588,5,0.35,0.64,1.0,0.5070762798985676,0.5137841820300185,0.3217222945651429,0.2457936399150161,0.3970940991021863
EOS-3-43751,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncc(C)n5)cn4)n23)cn1,VZXWXOUEKVCLPR-UHFFFAOYSA-N,3,1,0.494,7,205,410.441,3.234,5,0.435,0.74,1.0,0.44622541292577617,0.3535227194846138,0.2996624631622233,0.1961568775272428,0.323891868274964
EOS-3-43752,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)nc2Cl)ncn1,HIAOFVCLKRZGRO-UHFFFAOYSA-N,3,1,0.357,31,662,447.89,3.226,5,0.378,0.59,0.995,0.27193132753066956,0.33399869782742786,0.1727434720032897,0.14072887396340208,0.2298505928311973
EOS-3-43753,CC(C)(O)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5ncc(Cl)cc5Cl)n4)n23)cn1,OFAFNOCHHOWXMB-UHFFFAOYSA-N,3,1,0.333,50,243,468.308,3.568,5,0.409,0.69,0.993,0.3217993968884929,0.42450825851552326,0.45773079295456104,0.44556575971489276,0.4124010520183675
EOS-3-43755,Fc1ccc(-n2nnnc2-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)c(Cl)c1,BLKMIHADJSPPKZ-UHFFFAOYSA-N,3,1,0.33,76,272,475.9,4.35,6,0.373,0.69,0.754,0.026720238503186895,0.1643564526077719,0.31814131999177575,0.5380457131108217,0.2618159310533891
EOS-3-43756,Cc1cc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5cccc(F)c5)n34)s2)n(C)n1,SRXHCWNTBJBVFR-UHFFFAOYSA-N,3,1,0.322,76,543,469.509,4.22,6,0.381,0.62,0.936,0.06009697758892468,0.1895346446439586,0.2234682338427798,0.29349427729422245,0.1916485333424714
EOS-3-43757,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cc(F)n1,IMMJBWCWYSCVCN-UHFFFAOYSA-N,3,1,0.391,46,160,469.814,4.293,5,0.354,0.66,1.0,0.7957987800699061,0.7552001233637173,0.9279864299910904,0.9298368857514906,0.8522055547940511
EOS-3-43758,Cc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cn1,NHBYIQRNSOYQIA-UHFFFAOYSA-N,3,1,0.347,62,3,430.418,5.287,5,0.377,0.77,1.0,0.5698804057295593,0.6130148721814818,0.9076142827770544,0.8443047083818792,0.7337035672674936
EOS-3-43759,Fc1ccc(F)c(CCc2cncc3nnc(-c4cc(-c5cccc(Cl)c5)ccn4)n23)c1,XQODCNZLPQVEKH-UHFFFAOYSA-N,3,1,0.375,57,358,447.876,5.57,5,0.353,0.82,0.993,0.39006922075251865,0.5691436501953259,0.9377355904324584,0.9665118908916456,0.7158650880679871
EOS-3-43760,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5c(F)cnn5C(C)C)c4)n23)cn1,OSOXQAUMPCUTAZ-UHFFFAOYSA-N,3,1,0.478,92,283,444.474,4.052,5,0.39,0.62,1.0,0.4556404632992941,0.4467565622644096,0.36626173668699885,0.23134123774929752,0.37500000000000006
EOS-3-43761,O=[N+]([O-])c1cccnc1-c1nnc2cncc(OCc3ncc(-c4ccsc4)cn3)n12,LMGPBAIDGJANAF-UHFFFAOYSA-N,3,1,0.366,51,969,432.425,3.192,5,0.293,0.68,1.0,0.39007778767733536,0.08876190802549516,0.06719895826194229,0.025795010622986773,0.14295841614693988
EOS-3-43762,Cc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1cncs1,LOIYJRVCFAIKAX-UHFFFAOYSA-N,3,1,0.411,46,565,435.9,4.246,5,0.381,0.65,1.0,0.5534404770063738,0.5792526214789939,0.44705640463299295,0.4423017613597423,0.5055128161195257
EOS-3-43763,CC#Cc1ncc(CCc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cn1,ZJFONEXCLHBYCQ-UHFFFAOYSA-N,3,1,0.467,68,455,409.375,3.152,4,0.482,0.71,1.0,0.4048300322116373,0.5738811596189431,0.8264598039887602,0.6401977246247686,0.6113421801110274
EOS-3-43764,Cc1cc(-c2ccnc(Cl)c2)cc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)n1,HMFMNXMPPIMYIM-UHFFFAOYSA-N,3,1,0.443,18,367,461.888,4.366,5,0.347,0.63,1.0,0.6620605167569049,0.6851997806867247,0.6414056610239188,0.6543931190459873,0.660764769378384
EOS-3-43765,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5F)s4)n23)cc1,SSYRIEBUJSIDCZ-UHFFFAOYSA-N,3,1,0.366,62,331,479.928,4.519,5,0.398,0.75,1.0,0.23154684394489755,0.35858577205126446,0.39996401891577,0.44231032828455896,0.3581017407991227
EOS-3-43766,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)nn2C)cs1,APPPFYXOXJZSEA-UHFFFAOYSA-N,3,1,0.413,31,569,453.919,3.022,5,0.361,0.57,0.745,0.33214824206702764,0.2128795147693784,0.05732129394832431,0.059086080460557876,0.16535878281132205
EOS-3-43767,CCn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccc(OC)nc5)ccn4)n23)n1,GESBGBCNZFDHLU-UHFFFAOYSA-N,3,1,0.38,18,367,476.928,3.748,5,0.333,0.72,1.0,0.23450243300664794,0.2535552737989171,0.17592180111027345,0.15565245699403743,0.20490799122746897
EOS-3-43768,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)n4)n23)cc1,AJSVBICIDAZYRI-UHFFFAOYSA-N,3,1,0.364,93,991,449.905,5.359,6,0.362,0.74,1.0,0.03137207867863752,0.2844647385374546,0.7119885545884449,0.8186981701048591,0.461630885477349
EOS-3-43769,COc1cc(-c2nnc3cncc(OCc4cc(=O)n(C)s4)n23)ccc1-c1ccsc1,YYLGJWCUHASXLR-UHFFFAOYSA-N,3,1,0.471,16,103,451.533,3.868,5,0.39,0.56,1.0,0.32180796381330956,0.23310602426153107,0.31050818998012475,0.24315502707148243,0.27714430128161194
EOS-3-43770,Cc1cc(Cl)nc(COc2cncc3nnc(-c4ccc(-c5ncccc5C)nc4C)n23)n1,IFCNUTLVNOLAJN-UHFFFAOYSA-N,3,1,0.411,24,567,458.913,4.196,5,0.361,0.65,1.0,0.5557792474813241,0.5844784456171612,0.17275203892810637,0.15045233363032007,0.36586551641422793
EOS-3-43771,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnnc(-c5ccccc5)c4)n23)cc1,ZWYLZTVNIOEGNW-UHFFFAOYSA-N,3,1,0.424,62,319,407.437,2.938,5,0.479,0.77,1.0,0.13251319306421766,0.07155952299362621,0.3815451305599342,0.34055239531217874,0.23154256048248922
EOS-3-43772,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4cnccn4)c(Cl)c3)n12,JWYPJPUYRRKKIF-UHFFFAOYSA-N,3,1,0.549,59,910,467.291,5.273,5,0.35,0.79,1.0,0.9514084024398601,0.9470649715578096,0.9480587348365431,0.9614745390994449,0.9520016619834145
EOS-3-43773,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)ncn2)n(C)n1,JIXUVHZFJWLYDY-UHFFFAOYSA-N,3,1,0.409,31,128,417.408,2.403,5,0.429,0.57,1.0,0.390086354602152,0.3681550270714824,0.1856195600027414,0.15046090055513672,0.2735804605578781
EOS-3-43774,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)cc1,CUNIDBMVGXMXFS-UHFFFAOYSA-N,3,1,0.333,50,997,408.347,3.453,5,0.455,0.82,1.0,0.040907065999588786,0.19867555342334314,0.9404855732986087,0.902619765608937,0.5206719895826194
EOS-3-43775,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccn1,MQEHHDBDIBDHEM-UHFFFAOYSA-N,3,1,0.432,75,624,450.865,3.836,5,0.363,0.61,1.0,0.5807004317730108,0.527516962511137,0.5993506270988965,0.5707884997601261,0.5695891302857926
EOS-3-43776,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C)nn5)ccc4F)n23)cc1F,HKYDXJZATNUREU-UHFFFAOYSA-N,3,1,0.463,43,788,487.47,3.774,5,0.389,0.81,1.0,0.6040538688232472,0.44676512918922623,0.7199386608183127,0.6045250496881639,0.5938206771297375
EOS-3-43777,CCc1nc(COc2nc(-c3cncc4nnc(-c5cnccn5)n34)ns2)ccc1F,FUVLMYCWLVHECD-UHFFFAOYSA-N,3,1,0.323,7,828,435.448,2.775,5,0.397,0.6,0.301,0.3218165307381262,0.3681635939962991,0.03205743266397094,0.03464464395860462,0.18917055033925023
EOS-3-43778,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)s1,QSPMQYCZCOXTDK-UHFFFAOYSA-N,3,1,0.518,77,323,468.502,4.247,6,0.353,0.7,1.0,0.5121393324652183,0.4467736961140429,0.270038037146186,0.22855698718388048,0.3643770132273319
EOS-3-43779,Cc1cnc(Cc2cncc3nnc(-c4nc(C)ncc4-c4cccc(F)c4)n23)nn1,XIMAIPKDMQQOHY-UHFFFAOYSA-N,3,1,0.323,85,60,413.42,2.78,5,0.443,0.62,1.0,0.26920704543896923,0.2690014392433692,0.09215441025289563,0.14556061956000274,0.19398087862380922
EOS-3-43780,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ncccc5F)c4)n23)cn1,XYSUMMMNMBFGCZ-UHFFFAOYSA-N,3,1,0.576,88,595,464.863,4.801,5,0.336,0.71,1.0,0.9769207045438969,0.9835600712768144,0.8904718662189021,0.9038448358577205,0.9386993694743335
EOS-3-43781,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnnn5)nn4)n23)c(F)c1,SANSIVBQHCMRIN-UHFFFAOYSA-N,3,1,0.467,36,404,416.38,1.855,5,0.418,0.59,1.0,0.6679716948804058,0.755208690288534,0.1444554862586526,0.17428551847028992,0.43548034747447056
EOS-3-43782,c1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cnn2)cc1,BPRVXFWPXVQLAW-UHFFFAOYSA-N,3,1,0.388,9,553,418.42,3.965,6,0.423,0.61,1.0,0.18471146597217464,0.1305342334315674,0.4577393598793777,0.48579603865396476,0.31469527448427115
EOS-3-43783,Cn1nc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)nc1C1CCCO1,BPHWQVBPCMXLEC-UHFFFAOYSA-N,3,1,0.314,50,974,461.436,3.174,6,0.402,0.59,0.253,0.19047700637379206,0.25853265711740114,0.029812898362003976,0.13834726886436843,0.1542924576793914
EOS-3-43784,Cc1ccnc(COc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)n1,CKXMSAWYAHDHDS-UHFFFAOYSA-N,3,1,0.551,1,881,411.425,3.656,5,0.417,0.77,1.0,0.5508961003358235,0.4335463641971078,0.3105167569049414,0.21954458227674595,0.37862595092865464
EOS-3-43785,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(-c4ncnn4C(F)F)n3)n12,GXVSATSYXGLZOO-UHFFFAOYSA-N,3,1,0.495,73,212,473.806,3.606,5,0.368,0.63,0.999,0.5982283599479131,0.7806267562195874,0.6114128572407649,0.6570659995887876,0.6618334932492633
EOS-3-43786,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)no4)n23)cc1F,ALFRKIFETFMSRK-UHFFFAOYSA-N,3,1,0.333,42,314,473.859,4.096,6,0.352,0.69,1.0,0.27707148242067026,0.3963573435679528,0.49917757521759987,0.5676101706531423,0.43505414296484135
EOS-3-43787,Cc1cc(COc2cncc3nnc(-c4cc(-c5cncn5C)ccn4)n23)c(F)cn1,MVZIBLPAIOBWBB-UHFFFAOYSA-N,3,1,0.409,7,211,416.42,3.008,5,0.435,0.62,1.0,0.4747190048660133,0.30481118497704063,0.5062881228154342,0.3980535946816531,0.42096797683503534
EOS-3-43788,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)nc2)c1F,LKZOYCAFXVGWHY-UHFFFAOYSA-N,3,1,0.333,38,479,453.506,5.121,6,0.37,0.7,1.0,0.23995099719004867,0.31502295935850866,0.7404735796038654,0.7059317387430608,0.5003448187238708
EOS-3-43789,COc1ccccc1-c1ncsc1-c1cncc2nnc(-c3cc(F)ccc3Cl)n12,XIUGZYQCCZHYPX-UHFFFAOYSA-N,3,1,0.42,96,46,437.887,5.383,5,0.377,0.77,0.998,0.34866527311356316,0.5137927489548352,0.7928774587074224,0.8346840518127613,0.6225048831471456
EOS-3-43790,Cc1nnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ccc2F)s1,OHILSFNOWOHQQH-UHFFFAOYSA-N,3,1,0.62,34,15,456.865,5.342,5,0.363,0.82,1.0,0.9006065382770201,0.8989359879377699,0.8303406209307107,0.8729182372695498,0.8757003461037626
EOS-3-43791,CCn1cncc1-c1cc(C#N)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c1,LAGDOWHYSOWBND-UHFFFAOYSA-N,3,1,0.436,26,482,471.912,3.611,5,0.353,0.64,1.0,0.5225738468919197,0.5459786854910561,0.4435525323829758,0.4423188952093756,0.48860598999383187
EOS-3-43792,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)s1,FCNZHTAWBGXXJL-UHFFFAOYSA-N,3,1,0.341,76,750,454.494,4.516,6,0.389,0.6,0.777,0.1847200328969913,0.3535312864094305,0.3662703036118155,0.46124323212939483,0.34144121376190806
EOS-3-43793,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)n1,HZCLOTXDNNXHSW-UHFFFAOYSA-N,3,1,0.494,18,181,410.441,2.968,5,0.421,0.74,1.0,0.4845966691796313,0.2585412240422178,0.14446405318346925,0.12314954423959976,0.2526878726612295
EOS-3-43794,Cc1ccnc(OCc2cncc3nnc(-c4cncc(-c5cncnc5F)c4)n23)c1,QOCJCHBAQUNRJM-UHFFFAOYSA-N,3,1,0.327,2,767,414.404,3.065,5,0.404,0.69,1.0,0.4821208279076143,0.4958279076142828,0.520192241792886,0.42660715509560687,0.4811870331025975
EOS-3-43795,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccn4)n23)c(F)n1,BWHRDOXPQJRIMW-UHFFFAOYSA-N,3,1,0.5,7,817,414.404,3.065,5,0.404,0.69,1.0,0.569888972654376,0.6460917688986362,0.48560756630799806,0.407391542731821,0.5272449626482077
EOS-3-43796,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ncc1-c1cncn1C,MEWPHEFWJGGXIG-UHFFFAOYSA-N,3,1,0.408,65,265,464.436,2.89,5,0.362,0.55,0.998,0.5807089986978274,0.36314337605373176,0.567310328284559,0.4455743266397094,0.48918425741895694
EOS-3-43797,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)s2)n1C,CLVACPDWUQOTJE-UHFFFAOYSA-N,3,1,0.299,76,356,470.497,3.615,6,0.384,0.57,0.182,0.12672195188815022,0.25356384072373384,0.06720752518675896,0.13598279761496812,0.14586902885340278
EOS-3-43798,Cn1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)cc(-c2ccnc(F)c2)c1=O,VRMOAEVUGMZMJG-UHFFFAOYSA-N,3,1,0.439,4,702,472.415,2.676,5,0.358,0.64,1.0,0.4093962031389213,0.3340072647522445,0.6804365704886574,0.6342951134260846,0.5145337879514769
EOS-3-43799,CCc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)c(Cl)c2)n1,PCKRDRDSQIJMJY-UHFFFAOYSA-N,3,1,0.467,16,256,438.904,3.828,5,0.429,0.58,1.0,0.48955691864848194,0.589387293537112,0.15988451785347133,0.21417312041669523,0.3632504626139401
EOS-3-43800,CCn1cnnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1Cl,IHKYSXDAWZOHKC-UHFFFAOYSA-N,3,1,0.528,37,908,464.892,3.879,5,0.36,0.59,1.0,0.6774381468028237,0.8133952436433418,0.48207799328353096,0.5380542800356384,0.6277414159413337
EOS-3-43801,Clc1cnc(-c2ccc(-c3nnc4cncc(Oc5nc(Cl)ccc5Cl)n34)nc2)nc1,CJWDJQWWVWIOGQ-UHFFFAOYSA-N,3,1,0.344,73,665,471.695,4.791,5,0.345,0.76,1.0,0.752835652114317,0.727845932424097,0.5833904461654444,0.7031903228017271,0.6918155883763963
EOS-3-43802,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnn6)cc5F)n34)s2)nc1,WXXIRKQLEDLAST-UHFFFAOYSA-N,3,1,0.267,86,377,472.444,3.502,6,0.379,0.58,1.0,0.25860975944075115,0.30994277294222466,0.33630320060311153,0.40740010965663764,0.3280639606606812
EOS-3-43803,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)c(Cl)cn1,WGFSUNKZKSDXJT-UHFFFAOYSA-N,3,1,0.435,7,535,469.843,3.547,5,0.371,0.59,0.999,0.5669419505174422,0.694991775752176,0.5371804537043383,0.4826262764717977,0.5704351141114385
EOS-3-43804,OCc1cc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)ccn2)ccc1F,HNMLGWIRZMWGTI-UHFFFAOYSA-N,3,1,0.5,75,795,477.887,3.55,5,0.379,0.67,1.0,0.7844990062367213,0.690065793982592,0.6443869508601192,0.6601329586731547,0.6947711774381468
EOS-3-43805,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c(Cl)c2)cn1,XPZYTGFDVKILPV-UHFFFAOYSA-N,3,1,0.518,34,623,469.307,5.217,5,0.353,0.8,1.0,0.7166146939894456,0.8288671098622439,0.9498834898224933,0.9591015009252278,0.8636166986498526
EOS-3-43807,Cn1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cc1=O,RSJGAKRYWNMNKE-UHFFFAOYSA-N,3,1,0.412,31,873,461.873,2.012,5,0.373,0.56,0.937,0.36941436501953256,0.25854979096703445,0.17276060585292302,0.20798780069906106,0.2521781406346377
EOS-3-43808,Cc1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1ncc(Cl)cn1,XZHSEKOLMGLAEJ-UHFFFAOYSA-N,3,1,0.549,16,82,435.9,4.246,5,0.407,0.59,1.0,0.6893890069220753,0.6803252004660407,0.369996915907066,0.3889983551504352,0.5321773696114043
EOS-3-43809,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5cc(F)c(-c6ccccc6)cn5)n34)n2)cn1,ZDQLGBAPDXTBGD-UHFFFAOYSA-N,3,1,0.338,32,301,464.439,4.651,6,0.375,0.61,0.819,0.3066616407374409,0.3916284010691522,0.680445137413474,0.7358474402028647,0.528645654855733
EOS-3-43810,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)n1,ZMSBZYNVRCYRLU-UHFFFAOYSA-N,3,1,0.344,32,479,439.529,5.1,6,0.38,0.7,1.0,0.07130251524912617,0.17251216503323966,0.41766328558700566,0.4329295456103077,0.2736018778699198
EOS-3-43811,Cc1ccc(CO)c(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)n1,IKKXMYPILQBKRB-UHFFFAOYSA-N,3,1,0.458,4,390,459.897,3.676,5,0.383,0.61,1.0,0.5750805290932767,0.7374580220683983,0.5800322116373107,0.5182475498595024,0.602704578164622
EOS-3-43812,CCn1cnnc1-c1ccc(Cl)c(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)c1,MARRSZJYKIHNIO-UHFFFAOYSA-N,3,1,0.457,36,908,464.892,4.145,5,0.372,0.61,1.0,0.5669505174422589,0.7327119457199643,0.5062966897402509,0.5080272085532177,0.578496590363923
EOS-3-43813,Fc1cnc(F)c(-c2cc(COc3cncc4nnc(-c5cccnc5)n34)ncn2)c1,FMKZNTVWWRCNJZ-UHFFFAOYSA-N,3,1,0.506,2,354,418.367,2.896,5,0.402,0.6,1.0,0.5750890960180933,0.6032057432663971,0.5928483311630457,0.5643033376739086,0.5838616270303612
EOS-3-43814,Cc1cc(-c2ncsc2-c2cncc3nnc(-c4ccc(C#N)nc4)n23)ccc1F,LULQMEIHSUMSDT-UHFFFAOYSA-N,3,1,0.353,96,204,413.441,4.296,5,0.438,0.73,1.0,0.237338085120965,0.41554725515728874,0.7144900966349119,0.7275203892810637,0.5237239565485573
EOS-3-43815,Fc1cccc(F)c1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,OCWRRWUHSGELKE-UHFFFAOYSA-N,3,1,0.467,27,877,467.386,4.438,5,0.341,0.7,1.0,0.7730621616064698,0.8891011582482352,0.915281680487972,0.8907545747378521,0.8670498937701323
EOS-3-43816,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)c(F)c4)n23)nc1,OZBIXBRBFXUXNH-UHFFFAOYSA-N,3,1,0.392,3,192,465.467,5.199,6,0.358,0.75,1.0,0.2639983551504352,0.38248749228976764,0.9000325543143033,0.9038534027825372,0.6125929511342608
EOS-3-43817,Fc1cc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5cccs5)c4)n23)cn1,CNEGMMDWCNTDBY-UHFFFAOYSA-N,3,1,0.56,75,583,452.902,4.724,5,0.347,0.71,1.0,0.8850661366595847,0.8729096703447331,0.7018281817558769,0.7358560071276814,0.798914998971969
EOS-3-43818,CCn1nc(-c2nnc3cncc(OCCc4cccs4)n23)cc1-c1ccc(Cl)cc1,YLORSOZDNGOQMK-UHFFFAOYSA-N,3,1,0.516,95,835,450.955,5.011,5,0.348,0.79,0.999,0.4183315057227058,0.4509714892742101,0.30691008155712424,0.41391953944212184,0.3975331539990405
EOS-3-43819,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5cc(F)ccc5-c5cc(F)ccn5)n34)c2)n1,AJSMUPCASICQLF-UHFFFAOYSA-N,3,1,0.322,3,192,466.455,4.594,6,0.378,0.61,1.0,0.21797683503529572,0.25855835789185116,0.7755637036529367,0.8036889178260571,0.5139469536015352
EOS-3-43820,Fc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)ccn2)c(F)cn1,KPSCDSXIGCEFLI-UHFFFAOYSA-N,3,1,0.292,86,790,465.427,4.046,6,0.359,0.59,0.998,0.3321568089918443,0.43803543280104174,0.7224230690151463,0.7144815297100953,0.551774210129532
EOS-3-43821,NC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cn[nH]c5)n4)n23)cc1,SSAZKMBNJKZORZ-UHFFFAOYSA-N,3,1,0.469,89,408,413.401,1.649,5,0.426,0.66,1.0,0.4484785141525598,0.2535724076485505,0.20248783496676034,0.12315811116441643,0.2569242169830718
EOS-3-43822,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)c(F)c1F,YMABSGSWFQYAPW-UHFFFAOYSA-N,3,1,0.402,46,160,465.851,4.462,5,0.378,0.65,1.0,0.5780361181550271,0.6512319237886368,0.8517236652731136,0.8443132753066959,0.7313262456308683
EOS-3-43823,Cn1cnc(-c2ccc(F)cc2)c1-c1nnc2cncc(Oc3ccc(-c4ccnn4C)nn3)n12,VFNRFCIFSDIMCS-UHFFFAOYSA-N,3,1,0.359,67,622,468.456,3.314,6,0.379,0.6,0.981,0.3669899252964156,0.43355493112192445,0.22347680076759646,0.2342197244876979,0.3145603454184086
EOS-3-43824,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)ccn1,QLUFNLCGISLVNK-UHFFFAOYSA-N,3,1,0.506,73,401,468.279,4.668,5,0.346,0.71,1.0,0.8755054485641834,0.9534473305462271,0.862260982797615,0.8964772805153862,0.896922760605853
EOS-3-43825,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccn4)n23)cn1,LUNXYMDMXYNBDQ-UHFFFAOYSA-N,3,1,0.5,2,390,416.832,3.271,5,0.402,0.63,1.0,0.49443149886916593,0.772256870673703,0.5603796861078747,0.5611164416421082,0.597046124323213
EOS-3-43826,CCn1cc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)cn1,PDUPXJAMCMTBTF-UHFFFAOYSA-N,3,1,0.612,13,15,418.407,4.745,5,0.412,0.72,1.0,0.48460523610444795,0.5183160852580357,0.8635888561441984,0.840646631485162,0.676789202247961
EOS-3-43827,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cnc2F)nc1,OHKWLEJGCZEPEW-UHFFFAOYSA-N,3,1,0.449,7,930,469.362,3.228,5,0.346,0.62,0.993,0.7557912411760674,0.8460266602700295,0.5673188952093756,0.5214258789664862,0.6726406689054897
EOS-3-43828,CCc1cc(F)c(-c2nnc3cncc(OCc4ccc(C(=O)NC)nc4)n23)cn1,KVXCEAWNJMZXRL-UHFFFAOYSA-N,3,1,0.535,90,555,407.409,2.221,4,0.522,0.74,1.0,0.4996401891577,0.38249605921458435,0.1989839627167432,0.10054999657323008,0.2954175519155644
EOS-3-43829,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4nc(-c5ccc(F)cn5)ns4)n23)cc1,GVSAZBQADUZTGL-UHFFFAOYSA-N,3,1,0.404,52,916,486.536,3.521,6,0.375,0.76,1.0,0.22907100267288055,0.19868412034815983,0.029821465286820642,0.07813035432801042,0.13392673565896784
EOS-3-43830,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)cn1,FSASZUGKXGZRRK-UHFFFAOYSA-N,3,1,0.523,37,716,466.929,5.032,5,0.349,0.78,1.0,0.9575851552326777,0.95025186758961,0.7199472277431294,0.7197416215475293,0.8368814680282367
EOS-3-43831,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3csc(-c4ncccn4)c3)n12,USAJXHJQOJYKBW-UHFFFAOYSA-N,3,1,0.433,55,242,439.863,4.076,5,0.381,0.64,1.0,0.7043896922760606,0.6082088273593311,0.5833990130902611,0.6078061818929477,0.6259509286546501
EOS-3-43832,Cc1ccc(F)c(-c2nnn(C)c2-c2cncc3nnc(-c4nccnc4-c4nccn4C)n23)n1,YJEIFKBQYPFNHS-UHFFFAOYSA-N,3,1,0.239,86,953,468.46,2.287,6,0.382,0.54,0.554,0.04988520320745665,0.12368069357823316,0.015471866218902062,0.023242067027619766,0.05306995750805291
EOS-3-43833,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)nc2)n1,SXTTVBWDVTYQHT-UHFFFAOYSA-N,3,1,0.409,41,25,460.501,4.75,6,0.366,0.71,1.0,0.472251730518813,0.2998166678089233,0.4820865602083476,0.39806216160646973,0.41305428003563843
EOS-3-43834,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(C(F)(F)F)cn5)n34)ncn2)nc1,QBPYRELUDDUNEA-UHFFFAOYSA-N,3,1,0.394,7,726,469.362,3.17,5,0.358,0.58,0.981,0.5482489205674731,0.5645346446439586,0.8303491878555274,0.695017476526626,0.6595375573983963
EOS-3-43835,FC(F)n1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(C5(F)COC5)nc4)n23)cn1,HTNGLXFBLXEHMU-UHFFFAOYSA-N,3,1,0.271,50,489,466.387,2.492,6,0.384,0.58,0.864,0.285304297169488,0.34890514700842984,0.2271605784387636,0.24875779590158317,0.27753195462956615
EOS-3-43836,CCc1nnc(-c2cc(-c3nnc4cncc(OCc5cc(C)ncc5F)n34)ccn2)s1,ZGPWHKMOJAOMNW-UHFFFAOYSA-N,3,1,0.473,75,241,448.487,3.689,5,0.387,0.58,1.0,0.48212939483243095,0.48170104859159757,0.13856144198478515,0.12742443972311698,0.3074540812829827
EOS-3-43837,Cc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccccc1,YZBSZZIIGMMZRA-UHFFFAOYSA-N,3,1,0.432,11,848,442.91,4.832,5,0.35,0.7,1.0,0.6863134809128915,0.7096069494894113,0.5063052566650675,0.5546741141799739,0.614224950311836
EOS-3-43838,Fc1cc(-c2ccc(-c3cncc4nnc(-c5scnc5-c5ncccn5)n34)cc2)cnc1F,JBMKFNZJVLVJHJ-UHFFFAOYSA-N,3,1,0.296,42,106,470.468,4.712,6,0.344,0.72,1.0,0.22338256459461311,0.33906175039407854,0.5541001302172572,0.6313652251387842,0.43697741758618325
EOS-3-43839,COc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cn(C)cn5)ncc4Cl)n23)n1,SNARGUFESWOVFU-UHFFFAOYSA-N,3,1,0.438,65,823,463.889,2.66,5,0.359,0.57,0.994,0.5482574874922898,0.6178380508532657,0.12125625385511617,0.0985453361661298,0.34647428209170034
EOS-3-43840,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ccn2)c(F)n1,PDPVBJCZRUJXIY-UHFFFAOYSA-N,3,1,0.449,75,525,452.812,3.549,5,0.294,0.7,1.0,0.781826125693921,0.7972637242135563,0.6320077445000343,0.6570745665136043,0.7170430402302789
EOS-3-43841,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)cn1,HYFQAXCTEDLJNH-UHFFFAOYSA-N,3,1,0.5,65,349,415.482,3.635,5,0.418,0.68,1.0,0.6009869097388801,0.4467822630388596,0.3328935645260777,0.2639126859022685,0.4111438558015215
EOS-3-43842,CC#Cc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)s1,BEIGOVAKQHZISO-UHFFFAOYSA-N,3,1,0.281,98,882,465.506,2.662,6,0.365,0.6,1.0,0.05830649030224111,0.0855064765951614,0.04797477897333973,0.05194983208827359,0.06093439448975396
EOS-3-43843,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,DAXSZYBWGZEUDO-UHFFFAOYSA-N,3,1,0.479,26,639,463.904,4.484,5,0.331,0.69,1.0,0.57509766294291,0.5738897265437598,0.6205109313960661,0.6253940785415667,0.5987230998560756
EOS-3-43844,Fc1cccc(CCOc2cncc3nnc(-c4cc(-c5ncc(F)cc5F)cnn4)n23)c1,PJFOHWWBORZFCM-UHFFFAOYSA-N,3,1,0.533,19,873,449.396,3.682,5,0.391,0.53,1.0,0.767664998971969,0.7096155164142279,0.7710489342745528,0.8058477828798575,0.7635443081351517
EOS-3-43845,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ncccc4F)ccn3)n12,QPVHKFLRTIDCKJ-UHFFFAOYSA-N,3,1,0.398,46,692,451.824,4.154,5,0.371,0.59,1.0,0.7258584058666301,0.7050150777876774,0.8320797066684943,0.8515266260023302,0.7786199540812829
EOS-3-43846,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nn2C)nn1,WYTYWNPMMRSDSU-UHFFFAOYSA-N,3,1,0.4,31,569,414.433,1.702,5,0.408,0.66,1.0,0.19587416900829277,0.05253238297580701,0.02642039613460352,0.017579329723802346,0.0731015694606264
EOS-3-43847,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)cn1,SSWIJFVTPQNQLF-UHFFFAOYSA-N,3,1,0.429,65,986,413.445,2.481,5,0.4,0.68,1.0,0.37854670687410047,0.2282571448152971,0.03881673634432184,0.0277311356315537,0.16833793091631827
EOS-3-43848,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cnc(F)cc5F)n34)ccn2)ccn1,VOVUGNYPNKYDNH-UHFFFAOYSA-N,3,1,0.54,75,278,449.396,3.682,5,0.365,0.56,1.0,0.8958604619285861,0.8616527311356316,0.8434308820505791,0.8206771297375094,0.8554053012130767
EOS-3-43849,COc1cc(F)ccc1-c1cncc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)c1,STOJDHVGZNOFQS-UHFFFAOYSA-N,3,1,0.506,57,146,463.419,4.858,5,0.358,0.68,1.0,0.9506887807552601,0.9458741690082928,0.960463641971078,0.9427900760742923,0.9499541669522308
EOS-3-43850,Cc1cc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)ncn4)n23)c(Cl)c(C)n1,IFWCWKCSGVMXSR-UHFFFAOYSA-N,3,1,0.379,46,842,463.864,3.422,5,0.386,0.54,0.789,0.6525854979096704,0.5550167911726407,0.3143290384483586,0.3123243780412583,0.458563926392982
EOS-3-43851,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)ccn1,NSRISPSERQPEPT-UHFFFAOYSA-N,3,1,0.524,35,234,413.416,3.404,5,0.394,0.73,1.0,0.7584469878692345,0.7000890960180933,0.6382101980673017,0.6108474402028647,0.6768984305393735
EOS-3-43852,Clc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccncn6)n5)n34)cc2)ns1,CGKFDXROEMVWPE-UHFFFAOYSA-N,3,1,0.37,38,865,469.921,4.482,6,0.372,0.66,1.0,0.21508978137207868,0.3150315262833253,0.29967103008703994,0.3598279761496813,0.2974050784730313
EOS-3-43853,Fc1cc(F)cc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)cnn2)c1,NRSVOKBKJUPMPF-UHFFFAOYSA-N,3,1,0.484,37,778,466.839,3.591,5,0.374,0.56,1.0,0.6679802618052224,0.8134038105681585,0.5834075800150778,0.6921475567130423,0.6892348022753751
EOS-3-43854,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4F)n23)nn1,IGXABFMTGOAHOT-UHFFFAOYSA-N,3,1,0.357,71,622,468.456,3.314,6,0.379,0.58,1.0,0.469647385374546,0.4643615927626619,0.31433760537317523,0.2670310465355356,0.3788444075114797
EOS-3-43855,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)s5)n34)c2)ns1,QTFVRXUAOYZCBA-UHFFFAOYSA-N,3,1,0.562,4,921,425.474,3.793,5,0.423,0.56,1.0,0.43693886642450824,0.5003598108423001,0.12126482077993284,0.12743300664793367,0.2964991261736687
EOS-3-43856,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C)c4F)n23)ccc1-c1ccccn1,BOJBTNWXPUELQO-UHFFFAOYSA-N,3,1,0.478,1,383,459.456,5.028,5,0.355,0.75,1.0,0.9559917072167775,0.8356606812418614,0.9219210472208896,0.8515351929271469,0.8912771571516689
EOS-3-43857,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ncc1-c1cncs1,DUIBATHMRMMPAT-UHFFFAOYSA-N,3,1,0.4,92,587,452.887,3.341,5,0.382,0.6,1.0,0.46001816188061134,0.4908933589198821,0.25240730587348364,0.2251473511068467,0.35711654444520596
EOS-3-43858,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)s1,RTRLKXKFDYXOBE-UHFFFAOYSA-N,3,1,0.434,18,207,450.915,3.683,5,0.361,0.59,1.0,0.5070848468233843,0.5459872524158728,0.262816119525735,0.284661777808238,0.40013749914330754
EOS-3-43859,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1,CCFKOIVJBXUIPN-UHFFFAOYSA-N,3,1,0.558,24,583,413.416,3.404,5,0.421,0.67,1.0,0.7929288602563224,0.7142759235144952,0.4612260982797615,0.4582105407442944,0.6066603556987183
EOS-3-43860,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)s1,NZMQHGRVRJVUKR-UHFFFAOYSA-N,3,1,0.522,11,848,448.939,4.893,5,0.344,0.72,1.0,0.7075080529093277,0.7635186073607018,0.45774792680419435,0.47059831402919605,0.599843225275855
EOS-3-43861,Fc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3Cl)n12,PHXHEFLYEWZYRM-UHFFFAOYSA-N,3,1,0.5,65,698,466.839,3.591,5,0.35,0.62,1.0,0.8536854910561305,0.9272068398327736,0.6557638270166541,0.67467103008704,0.7778317969981495
EOS-3-43862,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccnc(C(F)F)c5)n4)n23)cn1,XOEXLSRSTRFIOI-UHFFFAOYSA-N,3,1,0.432,27,975,439.361,2.818,5,0.372,0.56,1.0,0.3145603454184086,0.4200191899115893,0.5928568980878623,0.5150178192036187,0.4606135631553697
EOS-3-43863,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cnc(C#N)nc4)n23)nn1C,IMHHMZYUKLJDKE-UHFFFAOYSA-N,3,1,0.372,92,105,413.405,1.166,5,0.415,0.7,1.0,0.17892879172092385,0.06426050304982524,0.04022171201425536,0.023944554862586526,0.07683889041189773
EOS-3-43864,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cn2)n(C)n1,KUAIIVRGSXCLBR-UHFFFAOYSA-N,3,1,0.523,55,283,416.42,3.008,5,0.406,0.67,1.0,0.5378572407648551,0.45985539030909467,0.3962802412446028,0.30612192447399084,0.4250286991981358
EOS-3-43865,Fc1cc(F)cc(COc2cncc3nnc(-c4cccc(-c5cccc(Cl)n5)c4)n23)c1,KXFYEHNXGVVXIY-UHFFFAOYSA-N,3,1,0.556,57,962,449.848,5.364,5,0.338,0.79,1.0,0.8850747035844013,0.9036306627373039,0.955126447810294,0.9633763964087451,0.9268020526351861
EOS-3-43866,Cc1nnc(-c2cncc(-c3nnc4cncc(-c5cnc(-c6ccccn6)s5)n34)c2)s1,DORGKOOAWKXABO-UHFFFAOYSA-N,3,1,0.296,70,392,455.532,4.199,6,0.389,0.58,0.996,0.035021588650538005,0.09168322938797889,0.06945205948872593,0.08684291686656158,0.0707499485984511
EOS-3-43867,Fc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)c1,FPQAAMGETIRPQK-UHFFFAOYSA-N,3,1,0.444,87,173,448.849,3.452,5,0.364,0.54,1.0,0.6921218559385923,0.7506939209101501,0.517048180385169,0.5770166541018436,0.6342201528339387
EOS-3-43868,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cnco5)n34)nc2C)n1,VQZOGVLHOXHEBF-UHFFFAOYSA-N,3,1,0.427,31,690,415.417,2.265,5,0.407,0.66,1.0,0.3785552737989171,0.12008258515523268,0.030823795490370776,0.020731958056336097,0.13754840312521416
EOS-3-43869,COc1ccnc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)n2)n1,QFRUSQVSXMKBQJ-UHFFFAOYSA-N,3,1,0.279,39,972,467.428,2.434,6,0.372,0.55,0.971,0.13510040435885134,0.1853282845589747,0.06129634706325817,0.08164279350284422,0.1158419573709821
EOS-3-43870,Cc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,KMKFXNXHUSFQMD-UHFFFAOYSA-N,3,1,0.57,15,796,411.469,3.517,5,0.425,0.72,1.0,0.5196953601535192,0.29982523473373995,0.37403193749571656,0.28735179220067164,0.3702260811459119
EOS-3-43871,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cn1,DAMQJZWRNWZHJU-UHFFFAOYSA-N,3,1,0.577,19,207,410.441,2.968,5,0.421,0.75,1.0,0.5641062984031252,0.3099513398670413,0.2557055719279008,0.22515591803166335,0.3387297820574327
EOS-3-43872,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5cnc(C)nn5)ncn4)n23)cn1,CZDWOGTXFWCVTI-UHFFFAOYSA-N,3,1,0.379,7,828,413.405,1.419,5,0.412,0.65,1.0,0.27998423685833734,0.16436501953258859,0.02642896305942019,0.014041189774518539,0.12120485230621617
EOS-3-43873,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)n(C)n1,BCTCIXNCPMAAHG-UHFFFAOYSA-N,3,1,0.456,4,43,416.42,3.008,5,0.406,0.65,1.0,0.4072030703858543,0.41084401343293814,0.36627887053663216,0.2965098348296895,0.3702089472962785
EOS-3-43874,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccnc(F)c5)c4)n23)n(C)n1,RGSKXMSUWUDROZ-UHFFFAOYSA-N,3,1,0.461,75,43,416.42,3.008,5,0.406,0.65,1.0,0.37856384072373384,0.3585943389760812,0.3740405044205332,0.2996281954629566,0.35270671989582625
EOS-3-43875,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2)n(C(C)C)n1,RYBVIYMOSKDEHS-UHFFFAOYSA-N,3,1,0.552,36,659,460.929,4.567,5,0.366,0.69,0.787,0.692130422863409,0.7593036803509012,0.3662874374614488,0.3214995545199095,0.5348052737989172
EOS-3-43876,Fc1nnccc1CCOc1cncc2nnc(-c3cccc(-c4ccncn4)c3)n12,VCTBROHLUXTHFI-UHFFFAOYSA-N,3,1,0.518,15,438,414.404,2.799,5,0.418,0.62,1.0,0.8830614762524844,0.7850130217257213,0.4285775478034405,0.41064697416215473,0.6268247549859502
EOS-3-43877,Cc1nnc(-c2c(F)ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2C)s1,UOZRZGZDVYCTBR-UHFFFAOYSA-N,3,1,0.461,16,772,469.452,4.318,5,0.379,0.65,1.0,0.6833835926255911,0.6461003358234528,0.6205194983208827,0.6199283805085326,0.6424829518196148
EOS-3-43878,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnn6)nc5)n34)[nH]2)n1,JFTHOBYDLYBZTA-UHFFFAOYSA-N,3,1,0.286,76,407,453.857,3.144,6,0.399,0.54,0.31,0.17060174079912274,0.2690100061681859,0.1856281269275581,0.29057295593173876,0.22895320745665138
EOS-3-43879,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)ccn2)cn1,ACLLEHSNIAOBTK-UHFFFAOYSA-N,3,1,0.573,7,99,414.404,3.065,5,0.432,0.62,1.0,0.5145552052635186,0.5275255294359537,0.4137824686450552,0.35983654307449797,0.4539249366047563
EOS-3-43880,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)nc1,HKQMNXLKAKELLV-UHFFFAOYSA-N,3,1,0.43,54,873,462.876,3.761,5,0.351,0.59,0.999,0.6921389897882256,0.6461089027482695,0.5473579603865396,0.5546826811047906,0.6100721335069563
EOS-3-43881,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccc1-c1ccccn1,IEVWDKJXVFTKDY-UHFFFAOYSA-N,3,1,0.506,57,383,461.884,5.233,5,0.344,0.76,1.0,0.9640189157699952,0.9060122678363375,0.9180059625796724,0.8935902268521692,0.9204068432595436
EOS-3-43882,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)nn2C)c(Cl)n1,FSAUQNUWPFIYKC-UHFFFAOYSA-N,3,1,0.433,95,493,464.892,3.704,5,0.353,0.63,0.981,0.40940477006373793,0.4060294016859708,0.4543896922760606,0.47060688095401276,0.4351076862449455
EOS-3-43883,Fc1ncc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)ncn4)n23)cc1Cl,NDCKKRTXVKZKHA-UHFFFAOYSA-N,3,1,0.394,46,726,469.267,4.063,5,0.355,0.64,0.897,0.7289767664998972,0.6751679117264067,0.7301590021245974,0.7879343430882051,0.7305595058597765
EOS-3-43884,Cc1cncc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ncn4)n23)c1,FBFGPJNNYUZJQL-UHFFFAOYSA-N,3,1,0.417,7,354,415.392,2.46,5,0.427,0.6,1.0,0.4821379617572476,0.49090192584469877,0.28516722637242137,0.24006236721266533,0.3745673702967583
EOS-3-43885,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(F)cn5)c(F)c4)n23)c(Cl)n1,JQMBBWYZPRQGTO-UHFFFAOYSA-N,3,1,0.489,73,775,466.839,3.857,5,0.36,0.61,1.0,0.8714018915769995,0.842659858817079,0.5437341511890892,0.5707970666849428,0.7071482420670276
EOS-3-43886,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)nc4C)n23)n(C)n1,NHSXEFXLCSRORR-UHFFFAOYSA-N,3,1,0.324,36,292,436.867,2.952,5,0.386,0.58,1.0,0.3486738400383798,0.4776060585292303,0.03609245425262148,0.04157528613528887,0.2259869097388801
EOS-3-43887,Cc1nc(-c2nnccc2-c2cncc3nnc(-c4cc(F)c(Cl)cc4F)n23)ccc1F,RHOIJBVILWPWTN-UHFFFAOYSA-N,3,1,0.289,45,102,453.815,4.689,5,0.369,0.63,1.0,0.41165787129052156,0.6032143101912137,0.9085823452813379,0.9317901446096909,0.713811167843191
EOS-3-43888,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)ccn2)ccn1,SWJSCCMXNOWXGP-UHFFFAOYSA-N,3,1,0.5,97,666,412.428,4.275,5,0.429,0.78,1.0,0.857849016517031,0.7680847782879857,0.7616338839010349,0.7089130285792612,0.7741201768213282
EOS-3-43889,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)n1,YIZCPIBQOXZXHC-UHFFFAOYSA-N,3,1,0.365,32,126,451.49,5.178,6,0.367,0.72,1.0,0.2179854019601124,0.37283256802138304,0.6234750873826331,0.654401685970804,0.46717368583373314
EOS-3-43890,OCc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)c2)s1,GGQPDSHWNKFTDD-UHFFFAOYSA-N,3,1,0.542,43,962,467.913,4.779,5,0.387,0.74,1.0,0.6804108697142074,0.6852083476115414,0.8246778836268933,0.8365602083476116,0.7567143273250634
EOS-3-43891,Cc1nc(Cl)cc(-c2cnc(COc3cncc4nnc(-c5ccc(F)nc5)n34)nc2)n1,BSGIIIRUXBYHIJ-UHFFFAOYSA-N,3,1,0.427,51,969,449.837,3.113,5,0.294,0.67,1.0,0.6953601535192927,0.7464961277499829,0.339901309026112,0.3405609622369954,0.5305796381330957
EOS-3-43892,Cc1ccc(COc2cncc3nnc(-c4cc(-c5nccn5C)cnn4)n23)c(F)n1,BLKYSBKSEKJTJE-UHFFFAOYSA-N,3,1,0.396,92,182,417.408,2.403,5,0.401,0.63,1.0,0.39651154821465284,0.315040093208142,0.2271691453635803,0.17691556438900694,0.27890908779384554
EOS-3-43893,COc1ccc(-c2nncc(C)n2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,PDKFPUIUAHKRCG-UHFFFAOYSA-N,3,1,0.479,4,10,478.875,3.727,5,0.36,0.68,0.999,0.6620690836817216,0.852537523130697,0.3889212528270852,0.3825217599890343,0.5715124049071345
EOS-3-43894,Cn1cnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)c1,NFKGNCKADPIHJW-UHFFFAOYSA-N,3,1,0.517,11,125,415.432,3.347,5,0.423,0.65,1.0,0.7900332396682886,0.6705760400246727,0.4856161332328148,0.46761702419299567,0.603460609279693
EOS-3-43895,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)s2)c1,PHSHQXSLSVIYOP-UHFFFAOYSA-N,3,1,0.452,27,348,454.437,4.966,5,0.361,0.76,1.0,0.5225824138167363,0.6512404907134535,0.8517322321979303,0.842531354944829,0.7170216229182373
EOS-3-43896,CC(C)(c1ccccc1)c1ncc(-c2cncc3nnc(-c4cnc(-c5ccncc5)cn4)n23)cn1,SDRQVGNEMSDQSU-UHFFFAOYSA-N,3,1,0.297,94,72,471.528,4.426,6,0.363,0.67,0.999,0.08362175313549448,0.04167808923308889,0.45439825920087723,0.3341443355493112,0.22846060927969297
EOS-3-43897,CCc1nc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cnc(C)c(C)n1,LAXGMAPRBBOMGC-UHFFFAOYSA-N,3,1,0.461,31,690,444.524,3.858,5,0.389,0.57,0.976,0.28807141388527174,0.15277397025563705,0.04316016722637242,0.02580357754780344,0.12745228222877117
EOS-3-43898,COc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(C)nn5)cnn4)n23)ccc1Cl,KENBSRCQUYXRMK-UHFFFAOYSA-N,3,1,0.478,36,534,461.873,2.983,5,0.372,0.55,1.0,0.6407974093619354,0.7890737440888219,0.25571413885271743,0.23134980467411417,0.4792337742443973
EOS-3-43899,Fc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ncccn1,FRPHZZMWADGBMP-UHFFFAOYSA-N,3,1,0.438,46,242,439.863,4.076,5,0.381,0.6,1.0,0.7197844561716127,0.7421269960934823,0.4435610993077925,0.49482557741073263,0.600074532245905
EOS-3-43900,Cn1ncc(-c2cc(COc3cncc4nnc(-c5cncc(-c6ccsc6)c5)n34)ncn2)n1,IASNYPJOPGJUNI-UHFFFAOYSA-N,3,1,0.426,80,200,468.506,3.079,6,0.363,0.59,1.0,0.279992803783154,0.18954321156877527,0.17593036803509013,0.1504694674799534,0.19898396271674318
EOS-3-43901,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C#N)cnn5)ccn4)n23)cn1,UQPHZZBNTIIOCE-UHFFFAOYSA-N,3,1,0.462,4,205,421.424,2.797,5,0.421,0.55,0.999,0.5378658076896717,0.5691522171201425,0.4612346652045782,0.382530326913851,0.4876957542320609
EOS-3-43902,FC(F)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(Cl)cc4)n23)cn1,KEWIKPULXLAAMN-UHFFFAOYSA-N,3,1,0.387,96,46,434.837,5.506,5,0.373,0.79,0.723,0.35081557124254675,0.5893958604619286,0.9404941402234254,0.9488725926941265,0.7073945411555068
EOS-3-43903,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)cc1,NYVMCIHSBRZKJT-UHFFFAOYSA-N,3,1,0.333,93,668,415.46,4.706,6,0.417,0.72,1.0,0.01395552052635186,0.05254094990062367,0.7093499417449113,0.7331402919607978,0.37724667603317114
EOS-3-43904,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,WDZKXEOUNKRMOC-UHFFFAOYSA-N,3,1,0.582,35,265,452.902,4.724,5,0.371,0.65,1.0,0.922657802755123,0.9253820848468234,0.7868377767116715,0.8058563498046741,0.860183503529573
EOS-3-43905,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(OCc5cccc(F)c5)nc4)n23)cn1,DFICOEFPIWXZQX-UHFFFAOYSA-N,3,1,0.484,89,879,486.467,2.633,5,0.352,0.79,1.0,0.680419436639024,0.45553766020149405,0.31052532382975806,0.17993968884929065,0.4066055273798917
EOS-3-43906,Fc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3cncnc3Oc3ccccc3)n12,DDFSZQWKZDFUQV-UHFFFAOYSA-N,3,1,0.34,30,923,468.477,4.698,6,0.359,0.75,0.999,0.3269738194777603,0.4380439997258584,0.5437427181139058,0.5740353642656432,0.470698975395792
EOS-3-43907,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1noc(C)n1,QPLNQUHFPWBCMI-UHFFFAOYSA-N,3,1,0.452,46,717,448.874,3.735,5,0.358,0.63,0.965,0.4622798300322116,0.44679082996367625,0.11535364265643205,0.12540264546638338,0.28745673702967584
EOS-3-43908,Cc1ncc(COc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)c(-c2ccccc2)n1,RZIAOSZJQFGUCP-UHFFFAOYSA-N,3,1,0.489,67,755,475.516,3.931,6,0.356,0.68,1.0,0.5456531423480228,0.2080049345486944,0.2557227057775341,0.2195531492015626,0.3072334829689535
EOS-3-43909,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nn2C)s1,NPCMTEGLTSPHPA-UHFFFAOYSA-N,3,1,0.446,95,493,452.931,3.627,5,0.363,0.62,1.0,0.28000137070797065,0.2791618120759372,0.15053800287848673,0.1635083270509218,0.2183023781783291
EOS-3-43910,Fc1cc(Cc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)ncc1C(F)F,RNQBNKPSYQNGCV-UHFFFAOYSA-N,3,1,0.372,14,81,438.438,4.977,5,0.387,0.62,1.0,0.4160698375711055,0.5319888972654376,0.927994996915907,0.9094990062367213,0.6963881844972929
EOS-3-43911,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)c1,HHLBQLLAQQIOIQ-UHFFFAOYSA-N,3,1,0.362,6,597,477.492,2.896,6,0.338,0.65,0.999,0.13778185182646838,0.06426906997464191,0.15054656980330341,0.1115070934137482,0.11602614625454047
EOS-3-43912,Cc1cccc(-c2nccnc2-c2nnc3cncc(Cc4ccc(C(F)F)nc4F)n23)c1,ZOGFGWIVZRAPOD-UHFFFAOYSA-N,3,1,0.289,85,81,447.424,4.619,5,0.366,0.62,0.237,0.36237235282023167,0.3390703173188952,0.7732934685765198,0.7383489822493318,0.5532712802412446
EOS-3-43913,Fc1cncc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)c1F,PTBCTTFUZARGSU-UHFFFAOYSA-N,3,1,0.411,46,949,418.367,2.896,5,0.429,0.56,1.0,0.7616595846754849,0.5459958193406894,0.5896528682064286,0.5611250085669248,0.614608320197382
EOS-3-43914,CC(=O)Oc1c(F)cc(F)cc1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,YXSWJGJGCIMIJT-UHFFFAOYSA-N,3,1,0.362,90,688,410.34,2.156,4,0.404,0.77,0.996,0.49204989377013225,0.42002775683640603,0.439911589335892,0.312332944966075,0.4160805462271263
EOS-3-43915,Cc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4cc(F)nc(Cl)c4)n23)c1,CTNPVDRGCSPBJZ-UHFFFAOYSA-N,3,1,0.506,84,76,461.888,4.366,5,0.347,0.67,1.0,0.8490422178054965,0.785021588650538,0.6667037900075389,0.6516774038791036,0.7381112500856692
EOS-3-43916,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)ccc1Cl,SDQSOPRKHFTUMC-UHFFFAOYSA-N,3,1,0.517,35,352,460.9,4.971,5,0.333,0.76,1.0,0.8975481461174697,0.8944126516345693,0.8835926255911178,0.8783411006785005,0.8884736310054143
EOS-3-43917,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4snnc4-c4cccc(F)n4)n23)cc1,LZCDSJLLOBFDOA-UHFFFAOYSA-N,3,1,0.325,38,42,455.482,3.911,6,0.372,0.6,1.0,0.14023199232403535,0.22326262764717977,0.24497978205743268,0.31234151189089165,0.23020397847988486
EOS-3-43918,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2C)n(C)n1,RWLYOKLPLWMTNL-UHFFFAOYSA-N,3,1,0.5,31,569,416.449,1.645,5,0.41,0.63,1.0,0.17598176958399014,0.026531766157220204,0.006930642176684257,0.0034267699266671238,0.05321773696114043
EOS-3-43919,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)ccn2)n(C)n1,NZYZYICELVCJFN-UHFFFAOYSA-N,3,1,0.524,92,359,416.449,1.645,5,0.41,0.63,1.0,0.25331539990405044,0.1273130697005003,0.020423548762936058,0.01079432526900144,0.10296158590912206
EOS-3-43921,Fc1ccccc1-c1cnnc(-c2nnc3cncc(OCCc4ccsc4)n23)c1,BZOOFJIDASEONX-UHFFFAOYSA-N,3,1,0.529,19,207,418.457,4.07,5,0.414,0.65,1.0,0.6319306421766843,0.5986053046398465,0.5673274621341923,0.6225841272016996,0.6051118840381057
EOS-3-43922,Cc1nccc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)c2)n1,WPWZVVLONVWGAB-UHFFFAOYSA-N,3,1,0.43,89,398,485.483,2.625,5,0.352,0.71,1.0,0.33696285381399493,0.10423377424439723,0.17593893495990678,0.09062093071071209,0.17693912343225277
EOS-3-43923,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccccc5F)nc4)n23)cc1,OKAAZKNRKIFJNT-UHFFFAOYSA-N,3,1,0.351,64,885,463.451,5.256,6,0.355,0.75,1.0,0.2613169076828182,0.40603796861078745,0.805522239736824,0.8664416421081489,0.5848296895346446
EOS-3-43924,OCc1sncc1CCOc1cncc2nnc(-c3cc(-c4ccc(F)nn4)ccn3)n12,HTOYEGRPNRXUAT-UHFFFAOYSA-N,3,1,0.446,18,88,450.459,2.353,5,0.398,0.56,0.999,0.32444657665684323,0.22826571174011376,0.15055513672812007,0.16626687684188884,0.21738357549174148
EOS-3-43925,Cc1n[nH]c(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)s2)n1,KDFSXDYSBCCZAG-UHFFFAOYSA-N,3,1,0.253,76,880,438.48,3.465,6,0.444,0.53,0.201,0.07131108217394284,0.08551504351997807,0.05559934206017408,0.09062949763552874,0.07576374134740593
EOS-3-43926,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cn2)[nH]1,ZUWGWMXHXGNZQS-UHFFFAOYSA-N,3,1,0.453,55,283,430.407,1.872,5,0.402,0.63,1.0,0.5171595504077856,0.40147179768350355,0.21647762319237887,0.15047803440477006,0.3213967514221095
EOS-3-43927,c1nc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccsc6)s5)n34)cn2)n[nH]1,OUDHFRKDGIGBPO-UHFFFAOYSA-N,3,1,0.39,6,584,460.508,3.13,6,0.398,0.58,1.0,0.34868240696319647,0.39636591049276954,0.036101021177438145,0.0377373038174217,0.20472166061270647
EOS-3-43928,Cc1nc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)c(F)c2)n(C)n1,NJZFQJFFHBLLLS-UHFFFAOYSA-N,3,1,0.318,3,581,482.458,3.692,6,0.374,0.69,0.988,0.17061030772393943,0.27917037900075387,0.32541463916112673,0.4266157220204235,0.3004527619765609
EOS-3-43929,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5c(-c6ccccc6)nc(C)n5C)n34)cc2)n1C,PQXIXDKYVIDUPO-UHFFFAOYSA-N,3,1,0.362,9,193,460.545,4.876,6,0.375,0.69,1.0,0.1267305188129669,0.07156808991844288,0.2593208142005346,0.240070934137482,0.1744225892673566
EOS-3-43930,FC(F)n1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1Cl,JLNQEEPAXLZRDT-UHFFFAOYSA-N,3,1,0.588,35,393,467.867,4.72,5,0.344,0.69,1.0,0.8443989445548626,0.8702539236515661,0.882530326913851,0.8617298334589816,0.8647282571448154
EOS-3-43932,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(F)cn5)nc4)n23)nc1,RIHNTEJDPZVLSA-UHFFFAOYSA-N,3,1,0.34,85,580,412.432,3.271,5,0.437,0.67,0.766,0.32445514358165994,0.32490062367212663,0.285175793297238,0.2815948187238709,0.3040315948187239
EOS-3-43933,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4cnnc(-c5cccnn5)n4)n23)cc1,ZEYODKLOJYEDOG-UHFFFAOYSA-N,3,1,0.426,81,218,460.461,3.074,6,0.365,0.57,0.709,0.35082413816736346,0.2436604756356658,0.11229525049688165,0.1455691864848194,0.21308726269618258
EOS-3-43934,Cn1nc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4cccnc4)cc3F)n12,YQGITYXULZJTRZ-UHFFFAOYSA-N,3,1,0.427,71,247,480.467,3.157,6,0.354,0.71,0.943,0.4944400657939826,0.5550253580974573,0.16941093824960593,0.222508738263313,0.3603462751010897
EOS-3-43935,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5nncc(-c6cccnc6)n5)n34)cn2)c1,IBAWIVKPTKNUPM-UHFFFAOYSA-N,3,1,0.433,28,177,477.463,3.818,6,0.353,0.65,1.0,0.6679888287300391,0.70009766294291,0.43607360701802483,0.47654375985196357,0.5701759646357344
EOS-3-43936,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)c(F)c4)n23)s1,UMQYWERUCGKLMB-UHFFFAOYSA-N,3,1,0.383,3,219,472.484,4.656,6,0.371,0.66,1.0,0.16529881433760538,0.3916369679939689,0.5740353642656432,0.7005345761085601,0.45787643067644435
EOS-3-43937,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)c(F)c2)s1,OBFWUTDUFPKWPD-UHFFFAOYSA-N,3,1,0.489,4,712,455.425,4.01,5,0.395,0.6,1.0,0.665076074292372,0.7465046946747995,0.6776437529984237,0.6717839764238229,0.6902521245973545
EOS-3-43938,O=Cc1cccc(COc2cncc3nnc(-c4cncc(-c5ccnc(F)c5)c4)n23)c1,ZBLDLLJYWQGYDF-UHFFFAOYSA-N,3,1,0.467,97,91,426.411,3.779,5,0.301,0.74,1.0,0.6436501953258859,0.4421989582619423,0.782571448152971,0.719750188472346,0.6470426975532863
EOS-3-43939,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(F)n4)n23)c1,BPMIYSJQPPHLDW-UHFFFAOYSA-N,3,1,0.471,73,665,469.814,4.293,5,0.354,0.66,1.0,0.8774844081968337,0.8702624905763827,0.8449986292920293,0.8755739839627168,0.8670798780069906
EOS-3-43940,Cc1ccc(-c2nnc3cncc(CCCc4ccc(-c5cnc(F)cn5)nc4)n23)c(Cl)c1,SGGCXXGPQCEBAO-UHFFFAOYSA-N,3,1,0.454,85,580,459.916,4.92,5,0.358,0.69,1.0,0.4343259543554246,0.5792611884038106,0.5541086971420739,0.6313737920636009,0.5497674079912275
EOS-3-43941,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCCc4ccc(-c5cncs5)nn4)n23)nc1,WFWPSWZJHQQIKY-UHFFFAOYSA-N,3,1,0.346,33,647,483.561,3.167,6,0.357,0.73,1.0,0.06356658213967514,0.07852443286957714,0.009766294291001303,0.01758789664861901,0.04236130148721815
EOS-3-43942,COc1cc(-c2nnc(C)s2)ccc1-c1nnc2cncc(OCc3cnc(CF)cn3)n12,HWYKYKLHCJYPNI-UHFFFAOYSA-N,3,1,0.436,4,677,464.486,3.465,5,0.357,0.62,1.0,0.42305188129668975,0.3631519429785484,0.15056370365293675,0.08685148379137825,0.2559047529298883
EOS-3-43944,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)ccn2)cn1,KPEXJTYOYWYXFY-UHFFFAOYSA-N,3,1,0.575,75,583,463.423,3.991,5,0.352,0.61,1.0,0.8555873483654307,0.8525460900555136,0.832088273593311,0.7762918922623535,0.8291284010691522
EOS-3-43945,Cc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cc5)c4)n23)n1,HHANNOLEPBZMAN-UHFFFAOYSA-N,3,1,0.536,57,23,445.885,5.533,5,0.355,0.82,1.0,0.7958073469947228,0.8555702145157974,0.8918425741895689,0.904992803783154,0.8620532348708108
EOS-3-43946,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(F)n5)ncn4)n23)s1,KHLJKTCSHXNKSN-UHFFFAOYSA-N,3,1,0.244,76,272,455.482,3.911,6,0.372,0.59,0.967,0.14324754985950244,0.1769241313138236,0.24870639435268316,0.2757264752244534,0.21115113768761568
EOS-3-43947,C#Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)c1,LMPZOCNPKNVWQH-UHFFFAOYSA-N,3,1,0.54,16,353,425.427,3.286,5,0.402,0.55,1.0,0.6436587622507025,0.6900743609074087,0.6804537043382908,0.6045336166129806,0.6546801110273457
EOS-3-43948,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)c5F)cn4)n23)cc1F,JCPNIASXWRLBPH-UHFFFAOYSA-N,3,1,0.512,59,210,464.863,5.067,5,0.361,0.74,1.0,0.9456257281886095,0.9502604345144267,0.9209101500925228,0.922632101980673,0.934857103694058
EOS-3-43949,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)nn2)nc1,DMKREEHYXZRDAF-UHFFFAOYSA-N,3,1,0.438,54,263,467.827,2.986,5,0.371,0.52,0.652,0.8015728873963403,0.7507024878349667,0.41379103556987185,0.5048660132958673,0.6177331060242616
EOS-3-43950,Cc1ncsc1COc1cncc2nnc(-c3ccc(-c4nc(C)c(F)c(CO)n4)nc3)n12,JBLALHAKIKJCIO-UHFFFAOYSA-N,3,1,0.436,7,85,464.486,2.927,5,0.404,0.57,0.985,0.5353214310191213,0.6032228771160304,0.08010931396066068,0.061947433349324926,0.3201502638612843
EOS-3-43951,COc1ccc(Cl)cc1-c1cncc2nnc(-c3sc(C)nc3-c3cccc(F)n3)n12,JUBZDRYFIDDHIS-UHFFFAOYSA-N,3,1,0.352,96,140,452.902,5.086,5,0.353,0.77,0.982,0.35311150709341377,0.43356349804674116,0.48906860393393187,0.5611335754917415,0.45921929614145707
EOS-3-43952,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cn4)n23)s1,FLBXCZYJIVAILS-UHFFFAOYSA-N,3,1,0.283,70,977,442.439,4.166,6,0.375,0.6,1.0,0.2989856761017065,0.39164553491878557,0.385263175930368,0.4139281063669385,0.37245562332944965
EOS-3-43953,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1cccnn1,MFNDASZZQQWBMR-UHFFFAOYSA-N,3,1,0.366,53,924,420.824,2.004,5,0.42,0.57,0.956,0.32698238640257693,0.29490781988897263,0.05916318278390789,0.08165136042766089,0.19067618737577957
EOS-3-43954,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(F)cn5)cn4)n23)cc1,DFLAZXQROFDONN-UHFFFAOYSA-N,3,1,0.395,14,886,411.444,3.876,5,0.437,0.73,1.0,0.3854002467274347,0.49583647453909946,0.49562230141868274,0.4765523267767802,0.46335283736549926
EOS-3-43955,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)c1F,LKZXVECTVBRBBH-UHFFFAOYSA-N,3,1,0.549,65,262,418.392,2.7,5,0.41,0.65,1.0,0.6953687204441094,0.6266277157151668,0.25932938112535125,0.21418168734151188,0.4488768761565348
EOS-3-43956,Cc1cnc(-c2ncncc2-c2nnc3cncc(OCCc4ccncc4)n23)nc1,PCESJHVAEBGEQN-UHFFFAOYSA-N,3,1,0.524,65,262,411.429,2.363,5,0.415,0.71,1.0,0.5070934137482009,0.29983380165855666,0.09216297717771228,0.0832705092180111,0.24559017545062023
EOS-3-43957,CCn1nc(C(F)F)cc1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,XDMKDMQKCZZYHF-UHFFFAOYSA-N,3,1,0.542,90,255,439.253,4.831,4,0.431,0.64,0.98,0.44143650195325884,0.6656500582550887,0.8264683709135768,0.8548677266808307,0.6971056644506888
EOS-3-43958,Cn1cc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6cccc(C#N)n6)cn5)n34)c2)cn1,SJEVLWZWTZCIRH-UHFFFAOYSA-N,3,1,0.29,32,179,473.475,4.327,6,0.375,0.66,0.999,0.16530738126242203,0.2844733054622713,0.7755722705777535,0.7488691659241998,0.4935555308066616
EOS-3-43959,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)nc1,OHNHLEGQWLMBTI-UHFFFAOYSA-N,3,1,0.396,13,971,452.305,5.169,5,0.366,0.72,0.991,0.5145637721883353,0.5602340483859913,0.7276745939277637,0.7739445548625865,0.6441042423411691
EOS-3-43960,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccoc5)cn4)n23)nc1,FKKJPAKQPRBSLO-UHFFFAOYSA-N,3,1,0.303,64,114,418.42,3.965,6,0.423,0.61,0.995,0.09564971557809608,0.06427763689945858,0.26650846412171886,0.327753409636077,0.18854730655883764
EOS-3-43961,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnncc5Cl)n34)cc2F)ccn1,CTLJIPHAUXVMEK-UHFFFAOYSA-N,3,1,0.558,37,919,465.851,4.196,5,0.347,0.63,1.0,0.9464567198958262,0.9601466657528613,0.8733722842848332,0.8921938181070523,0.9180423720101434
EOS-3-43962,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5F)cn4)n23)cn1,ACAXRVSUOMMYDW-UHFFFAOYSA-N,3,1,0.444,7,205,483.467,2.649,6,0.347,0.75,1.0,0.460026728805428,0.28969912960043864,0.09929922554999657,0.12080220683983277,0.242456822698924
EOS-3-43963,Cc1nc(F)cc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)n1,KNWOBEHZKDVIDT-UHFFFAOYSA-N,3,1,0.439,87,838,429.419,2.502,5,0.375,0.57,1.0,0.652594064834487,0.5792697553286272,0.1922246590363923,0.1769241313138236,0.40025315262833255
EOS-3-43964,Fc1ccccc1-c1cc(F)c(-c2cncc3nnc(-c4ccc(Br)cc4)n23)cn1,KAKPMWWGQOJAAI-UHFFFAOYSA-N,3,1,0.448,83,533,464.273,5.561,5,0.351,0.83,1.0,0.43010246042080735,0.705023644712494,0.9567712973750943,0.9717805496538963,0.7659194880405729
EOS-3-43965,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(C)n(C)n5)n34)cn2)cn1,AJZVCXAXEURRPT-UHFFFAOYSA-N,3,1,0.398,51,986,414.433,1.968,5,0.425,0.65,1.0,0.23995956411486533,0.15665478719758755,0.02236824069631965,0.009243711877184566,0.10705657597148928
EOS-3-43966,CCCc1nc(-c2nncs2)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,OYXMKCVAYZWZEL-UHFFFAOYSA-N,3,1,0.255,33,432,484.549,3.007,6,0.369,0.74,0.839,0.07517476526626002,0.045336166129806045,0.004000753889383867,0.004437667055033925,0.03223733808512096
EOS-3-43967,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4Cl)n23)ccc1F,IBDXYVTWUJEPJB-UHFFFAOYSA-N,3,1,0.5,4,702,458.844,3.886,5,0.364,0.62,1.0,0.7702607771914194,0.8702710575011994,0.7018367486806936,0.7089215955040779,0.7628225447193475
EOS-3-43968,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)cc2)n1,WHQFUSDYEJWEON-UHFFFAOYSA-N,3,1,0.337,32,479,447.527,5.347,6,0.362,0.8,1.0,0.056584538414090876,0.15666335412240423,0.46124323212939483,0.44232746213419233,0.2792046467000206
EOS-3-43969,Cc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(F)cc5-c5cccnc5)n34)n2)nn1,AYXRKVURTBQUTP-UHFFFAOYSA-N,3,1,0.343,32,270,460.476,4.82,6,0.372,0.63,1.0,0.2345109999314646,0.3870193955177849,0.5993591940237133,0.6282211637310671,0.46227768830100746
EOS-3-43970,Cc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(CO)cn5)n34)nc2)c1,HUCGJURUQJQXHA-UHFFFAOYSA-N,3,1,0.407,1,412,410.437,3.841,5,0.47,0.78,1.0,0.5278682064286204,0.4108525803577548,0.6382187649921184,0.544950654513056,0.5304725515728874
EOS-3-43971,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnn(-c5cncc(Cl)c5)c4)n23)cc1F,PILKJVGRRQUVIZ-UHFFFAOYSA-N,3,1,0.345,85,306,488.914,3.648,6,0.391,0.83,1.0,0.09319957508052909,0.23311459118634775,0.37000548283188267,0.504874580220684,0.3002985573298609
EOS-3-43972,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)cn1,XEUVKQNJUBJTAH-UHFFFAOYSA-N,3,1,0.512,11,198,412.428,4.009,5,0.392,0.78,1.0,0.792937427181139,0.6705846069494894,0.6587194160784045,0.6688455212117058,0.6977717428551846
EOS-3-43973,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)c(F)c5)n34)n2)cc1,HIFSBUSWMJONRU-UHFFFAOYSA-N,3,1,0.337,3,118,470.418,4.518,6,0.352,0.65,1.0,0.05831505722705777,0.3441590706599959,0.8607189363306148,0.8935987937769858,0.5391979644986635
EOS-3-43974,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4Cl)n23)c1F,HMRVJZDWEUYONV-UHFFFAOYSA-N,3,1,0.484,58,271,462.876,3.761,5,0.351,0.6,1.0,0.8015814543211569,0.8586457405249811,0.5541172640668905,0.5449592214378727,0.6898259200877253
EOS-3-43975,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ncc1-c1ccccc1,OIBNDNAOQLERJN-UHFFFAOYSA-N,3,1,0.581,79,198,457.921,5.137,5,0.337,0.74,1.0,0.8041515317661572,0.742135563018299,0.7591323418545679,0.7564166266876842,0.7654590158316771
EOS-3-43976,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ncc1-c1nccs1,CGOFTGDCTZZQER-UHFFFAOYSA-N,3,1,0.423,65,262,464.942,3.937,5,0.356,0.67,0.999,0.49964875608251663,0.504977383318484,0.06321533822219176,0.1047220889589473,0.2931408916455349
EOS-3-43977,Cc1cnn(-c2cc(-c3cncc4nnc(-c5cccnc5-c5cccc(Cl)c5)n34)ncn2)n1,GFQPAOJBJDXDPJ-UHFFFAOYSA-N,3,1,0.326,10,750,466.896,3.853,6,0.385,0.56,0.972,0.02017510794325269,0.13762764717976836,0.22348536769241314,0.33102597491604413,0.1780785244328696
EOS-3-43978,Cn1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6F)nc5)n34)c2)c1,VSIHJJITKPOYCW-UHFFFAOYSA-N,3,1,0.294,30,192,465.467,5.199,6,0.358,0.75,1.0,0.2692156123637859,0.3489137139332465,0.8918511411143856,0.8894781029401686,0.5998646425878966
EOS-3-43979,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4nnc(-c5nncn5C)cc4F)n23)cn1,DXZXBVIQDUWETN-UHFFFAOYSA-N,3,1,0.347,99,502,470.432,2.104,6,0.368,0.55,1.0,0.4797220889589473,0.442207525186759,0.053663217051607155,0.04800047974778973,0.2558983277362758
EOS-3-43980,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)ccn1,ZQFDDWBKPKMIPO-UHFFFAOYSA-N,3,1,0.392,57,18,415.403,4.711,5,0.389,0.8,1.0,0.6774467137276403,0.7890823110136386,0.9161726406689055,0.9183058049482558,0.82525186758961
EOS-3-43981,c1cnc(-c2csc(Oc3cncc4nnc(-c5ccc(-c6cn[nH]c6)cc5)n34)n2)nc1,QFLFDDVPYFFDNF-UHFFFAOYSA-N,3,1,0.347,40,622,439.464,3.887,6,0.43,0.58,1.0,0.5378743746144884,0.4909104927695154,0.220109999314646,0.20510074703584402,0.36349890343362345
EOS-3-43982,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cncs5)c(F)c4)n23)cn1,UTPFXYYZRDOGFN-UHFFFAOYSA-N,3,1,0.55,16,815,419.445,3.731,5,0.429,0.64,1.0,0.6495699403742032,0.6656586251799054,0.48562470015763143,0.4329381125351244,0.5584478445617161
EOS-3-43983,FC(F)Oc1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4Cl)n23)nc1,PVCBWAOHCRIUFH-UHFFFAOYSA-N,3,1,0.43,66,455,438.772,4.365,4,0.329,0.66,1.0,0.7470272770886163,0.8323624151874444,0.964875608251662,0.9521537248989103,0.8741047563566582
EOS-3-43984,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncon5)n4)n23)c(Cl)c1,IDXYTWHJGBMBRC-UHFFFAOYSA-N,3,1,0.433,7,408,477.872,2.613,5,0.371,0.61,1.0,0.4509543554245768,0.4200363237612227,0.10968233842779795,0.09451888150229594,0.2687979747789734
EOS-3-43985,N#CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)nc5F)cc4F)n23)cc1,IGYVDMDWWYUPDA-UHFFFAOYSA-N,3,1,0.36,62,648,486.417,3.586,5,0.377,0.78,1.0,0.3601620862175314,0.44221609211157564,0.8076468370913576,0.7564251936125008,0.5916125522582414
EOS-3-43986,Cc1nc(-c2cnc(C)s2)cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)n1,CQJNWLDIXKAZQH-UHFFFAOYSA-N,3,1,0.38,31,851,465.93,3.387,5,0.371,0.59,0.955,0.45780789527791105,0.4817096155164142,0.036109588102254814,0.04535329997943938,0.2552450997190049
EOS-3-43987,Fc1ccncc1CCOc1cncc2nnc(-c3ccnc(-c4ccnnc4)c3)n12,QRZHEGNYPJQOTN-UHFFFAOYSA-N,3,1,0.553,75,496,414.404,2.799,5,0.418,0.63,1.0,0.7584555547940511,0.6656671921047221,0.5236361455691865,0.4979268041943664,0.6114214241655815
EOS-3-43988,Fc1cnc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)c4)n23)c1,OEDCFTAKXPUAEP-UHFFFAOYSA-N,3,1,0.518,73,325,468.279,4.668,5,0.346,0.71,1.0,0.9609005551367281,0.9393975738468919,0.8354465081214447,0.8729268041943664,0.9021678603248577
EOS-3-43989,FC(F)n1nccc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cnccn5)n4)n23)cc1,SMZZLIYALFALIU-UHFFFAOYSA-N,3,1,0.307,86,167,468.431,3.964,6,0.374,0.58,1.0,0.15710883421287095,0.22327119457199643,0.592865465012679,0.5512901788773902,0.3811339181687341
EOS-3-43990,Fc1cnc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2Cl)cn1,YMZYENLLXFSOSP-UHFFFAOYSA-N,3,1,0.402,85,674,468.83,4.359,5,0.378,0.6,0.996,0.42076451237063944,0.6178466177780824,0.8679237201014324,0.8631947776026317,0.6924324069631964
EOS-3-43991,Cc1c(-c2cscn2)ccc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)c1F,QAPPLFDFLFMARJ-UHFFFAOYSA-N,3,1,0.473,4,354,453.89,4.385,5,0.364,0.67,1.0,0.6495785072990199,0.7635271742855184,0.6443955177849359,0.6282297306558837,0.6714327325063394
EOS-3-43992,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc[nH]6)s5)n34)cc2)nc1,XFULPOIANKRZGS-UHFFFAOYSA-N,3,1,0.299,38,126,421.489,4.972,6,0.434,0.75,1.0,0.08595195668562813,0.17252073195805634,0.4991861421424166,0.5282451511205538,0.3214759954766637
EOS-3-43993,FC(F)c1ccc(-c2nnc3cncc(OCc4nccc(-c5ccnc(Cl)c5)n4)n23)cc1,XAHQOOOLNUDJHD-UHFFFAOYSA-N,3,1,0.472,97,679,465.851,4.813,5,0.332,0.73,1.0,0.9006151052018367,0.9011291206908368,0.8825388938386677,0.8680350901240491,0.8880795524638476
EOS-3-43994,c1ncc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncs6)nn5)n34)cc2)o1,XKZWMUDBWILQHR-UHFFFAOYSA-N,3,1,0.306,42,620,413.426,3.151,6,0.433,0.7,1.0,0.022162634500719623,0.07157665684325955,0.19899252964155986,0.23731238434651497,0.1325110513330135
EOS-3-43995,CCn1cc(-c2nc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccc2F)cn1,MMMJJRKIRNRZBM-UHFFFAOYSA-N,3,1,0.391,13,251,453.84,4.794,5,0.38,0.65,1.0,0.41381673634432187,0.5049859502433006,0.7431550270714824,0.7811236378589541,0.6107703378795147
EOS-3-43996,Cc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cc(C)nn6C)nc5)n34)ncc2F)nn1,HYVHJTWGJULYOX-UHFFFAOYSA-N,3,1,0.308,99,14,479.483,3.257,6,0.374,0.63,0.915,0.20426975532862723,0.22827427866493044,0.10173223219793023,0.09648070728531287,0.1576892433692002
EOS-3-43997,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)s2)n1,FVFKQCIUBVDLDI-UHFFFAOYSA-N,3,1,0.286,32,541,469.921,4.482,6,0.348,0.72,0.773,0.0909636077033788,0.21288808169419504,0.2201185662394627,0.3598451099993146,0.22095384140908778
EOS-3-43998,Cc1nc(OCc2csc(C)n2)cc(-c2cncc3nnc(-c4ccc(CO)c(F)c4)n23)n1,NOAQEQCWJFLZPF-UHFFFAOYSA-N,3,1,0.34,74,677,463.498,3.532,5,0.407,0.61,0.999,0.4895654855732986,0.5366321705160716,0.37793845521211705,0.28160338564868753,0.42143487423754367
EOS-3-43999,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(F)c2)cs1,WKSNBHOHGWYLQA-UHFFFAOYSA-N,3,1,0.517,11,684,466.929,5.032,5,0.349,0.78,1.0,0.860170653142348,0.8944212185593859,0.6444040847097526,0.6601415255979713,0.7647843705023645
EOS-3-44000,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cnnc(-c5ccnnc5)c4)n23)nc1,HBTFRQJHNLJECW-UHFFFAOYSA-N,3,1,0.283,94,719,431.423,2.557,6,0.41,0.48,0.991,0.10033582345281337,0.08218250976629429,0.19555719279007608,0.23135837159893086,0.15235847440202865
EOS-3-44002,Fc1cnc(-c2cc(Cl)nc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cc1F,PJRLAQLTHWGRQB-UHFFFAOYSA-N,3,1,0.443,18,692,465.851,4.196,5,0.347,0.62,1.0,0.7788619697073539,0.685216914536358,0.7909413336988554,0.8146117469673086,0.7674079912274689
EOS-3-44003,CCc1ccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)cn1,JOVDVLPZPRFWOL-UHFFFAOYSA-N,3,1,0.6,57,326,443.457,5.273,5,0.358,0.75,1.0,0.9528133781097937,0.9217154410252896,0.9246024946885066,0.9026283325337536,0.9254399115893359
EOS-3-44004,N#Cc1cc(-c2nnc3cncc(OCc4ccon4)n23)cc(-c2cncc(F)c2)n1,ANECQYLRLYNYLU-UHFFFAOYSA-N,3,1,0.614,4,43,414.36,2.826,5,0.426,0.67,0.966,0.49701014323898296,0.4958450414639161,0.5637207867863752,0.5282537180453705,0.5212074223836611
EOS-3-44005,Cc1ncnc(CCc2cccc(Cl)c2)c1Cc1cncc2nnc(-c3ccc(F)cc3)n12,COQFWPVVRYYVHG-UHFFFAOYSA-N,3,1,0.449,14,358,458.928,5.058,5,0.356,0.74,1.0,0.5327941881982043,0.7001062298677266,0.6349633335617847,0.7488777328490165,0.6541853711191831
EOS-3-44006,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnccn1,BGMKWCKQRUSWDG-UHFFFAOYSA-N,3,1,0.448,18,773,458.913,3.876,5,0.338,0.62,1.0,0.6378332533753683,0.6560294016859708,0.2665170310465355,0.2757350421492701,0.4590286820642862
EOS-3-44007,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)cc(C)n2)on1,FMNHZGXKIXXCNE-UHFFFAOYSA-N,3,1,0.495,87,661,465.876,4.267,5,0.366,0.68,1.0,0.6264992118429169,0.617855184702899,0.5097577273661846,0.4765608937015969,0.5576682544033994
EOS-3-44009,COc1ncc(-c2nc(C)nn2C)cc1-c1cncc2nnc(-c3cccnc3-c3ccccn3)n12,RBOOOPBJENAIMG-UHFFFAOYSA-N,3,1,0.295,70,935,476.504,3.423,6,0.368,0.65,1.0,0.14579192653005277,0.06428620382427523,0.07142245219655953,0.05067336029059009,0.0830434857103694
EOS-3-44010,Brc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)ccn1,YSRCXEXRSVUQHA-UHFFFAOYSA-N,3,1,0.512,65,131,475.31,3.422,5,0.344,0.62,1.0,0.7197930230964293,0.6751764786512233,0.33290213145089437,0.3061304913988075,0.5085005311493387
EOS-3-44011,Cn1cnnc1-c1cc(F)c(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1F,GPHFCRLNLOXNJR-UHFFFAOYSA-N,3,1,0.482,73,772,472.818,3.632,5,0.36,0.63,1.0,0.7557998081008841,0.7765146323075869,0.8320968405181276,0.8425399218696457,0.801737800699061
EOS-3-44012,Fc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)n1,GGIKMWNNCUFSSA-UHFFFAOYSA-N,3,1,0.547,24,583,419.445,3.465,5,0.389,0.63,1.0,0.6804280035638407,0.6410801178808855,0.27790247412788704,0.2757436090740868,0.468788551161675
EOS-3-44013,Cc1csc(-c2cncc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)n1,LZSMBHSCQZQDSA-UHFFFAOYSA-N,3,1,0.458,87,858,450.915,3.683,5,0.386,0.59,0.999,0.5456617092728394,0.5894044273867453,0.11536220958124871,0.14557775340963608,0.3490015249126174
EOS-3-44014,c1ccc(-c2cnc(-c3nnc4cncc(Oc5cnnc(-c6nncs6)c5)n34)cn2)nc1,IOFXOQKWIDNVSD-UHFFFAOYSA-N,3,1,0.357,70,719,453.451,2.744,6,0.38,0.53,0.996,0.3508327050921801,0.32932972380234393,0.06130491398807484,0.07038585429374272,0.2029632992940854
EOS-3-44015,Clc1ccc(OCCCOc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)cc1,RWKJIZNAGCNABS-UHFFFAOYSA-N,3,1,0.506,11,275,458.909,4.75,5,0.31,0.75,1.0,0.8251404975669934,0.8057449797820574,0.6414142279487355,0.6659499006236721,0.7345624014803646
EOS-3-44016,Fc1cccc(-c2noc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)c1,DZYUKKGAVAWWDI-UHFFFAOYSA-N,3,1,0.457,45,730,410.771,4.44,5,0.437,0.84,1.0,0.38086834349941745,0.67518504557604,0.8076554040161743,0.9026368994585704,0.6915864231375506
EOS-3-44017,FC(F)c1nc(-c2cccnn2)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)s1,RDPJALQWQBXXIN-UHFFFAOYSA-N,3,1,0.405,22,121,441.854,4.963,5,0.392,0.67,0.671,0.2290795695976972,0.5507590295387568,0.5865002398738949,0.6950260434514427,0.515341220615448
EOS-3-44018,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cc5F)n34)cnn2)cn1,CFLWCRXYKGJUNP-UHFFFAOYSA-N,3,1,0.43,65,778,463.864,3.156,5,0.374,0.54,1.0,0.6893975738468919,0.7050322116373107,0.3105338907545747,0.3533599479130971,0.5145809060379687
EOS-3-44019,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)c2)o1,UNWUHDQCILGZTJ-UHFFFAOYSA-N,3,1,0.495,87,307,451.849,3.959,5,0.357,0.62,1.0,0.7646323075868686,0.6900829278322254,0.5572013570008909,0.5282622849701871,0.635044719347543
EOS-3-44020,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ccccn5)c4)n23)cc1,QGAFPEKAJYETFE-UHFFFAOYSA-N,3,1,0.317,69,152,464.92,4.969,6,0.366,0.69,1.0,0.162574532245905,0.3340158316770612,0.7018453156055102,0.7589952710575012,0.48935773764649443
EOS-3-44021,Cn1nncc1-c1cccc(-c2cncc3nnc(-c4cc(Cl)ccc4-c4ccoc4)n23)n1,QJSLHUPDEOXWGR-UHFFFAOYSA-N,3,1,0.333,76,750,454.881,4.562,6,0.385,0.61,0.589,0.12977177712288396,0.2382890137756151,0.4956308683434994,0.5956325817284628,0.36483106024261536
EOS-3-44022,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5)nc(C)n4)n23)cc1,MGMMDOUFHKUOEM-UHFFFAOYSA-N,3,1,0.524,89,731,409.453,3.839,5,0.435,0.78,1.0,0.5121478993900349,0.42892879172092385,0.3815536974847509,0.29963676238777326,0.40556678774587074
EOS-3-44023,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)c1,AJBPJCNFZZGSNL-UHFFFAOYSA-N,3,1,0.6,35,393,413.416,3.404,5,0.421,0.66,1.0,0.7289853334247138,0.7680933452128024,0.6056473168391474,0.6225926941265163,0.6813296724007949
EOS-3-44024,CCn1c(-c2cccc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(C)nn4)cc3)n12,DNKRRMUCULCXOL-UHFFFAOYSA-N,3,1,0.386,3,474,477.507,4.641,6,0.357,0.73,1.0,0.08363032006031115,0.32490919059694334,0.24498834898224933,0.337425467754095,0.2477383318483997
EOS-3-44025,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5)c4)n23)c1,HYRUAZORAPXTJO-UHFFFAOYSA-N,3,1,0.671,57,732,463.875,5.406,5,0.337,0.79,1.0,0.97467617024193,0.9796878212596807,0.9485984510999932,0.9608748543622782,0.9659593242409705
EOS-3-44026,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(C#CCO)n4)n23)cc1,JEGQMQFTUNCHGQ-UHFFFAOYSA-N,3,1,0.435,36,734,457.429,1.439,5,0.39,0.55,1.0,0.6863220478377082,0.5275340963607703,0.2593379480501679,0.1961654444520595,0.4173398841751765
EOS-3-44027,Fc1cncc(COc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)c1F,IWECFEURBOIATO-UHFFFAOYSA-N,3,1,0.394,46,564,418.367,2.896,5,0.429,0.55,0.946,0.7105150435199781,0.5319974641902543,0.6587279830032212,0.637276403262285,0.6346292234939346
EOS-3-44028,Clc1ccnc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccsn6)nc5)n34)n2)c1,AMAUHEIHKHFIHV-UHFFFAOYSA-N,3,1,0.323,86,136,470.909,3.877,6,0.377,0.6,0.999,0.13510897128366803,0.3048197519018573,0.1661726406689055,0.26703961346035227,0.21828524432869578
EOS-3-44029,Fc1ccc(Cl)cc1-c1nnc2cncc(-c3cccnc3-c3ccc(Cl)nc3)n12,VPGBAOUAHNVRSE-UHFFFAOYSA-N,3,1,0.372,45,46,437.265,5.361,5,0.356,0.79,0.998,0.3269909533273936,0.5645432115687753,0.9219296141457063,0.9608834212870948,0.6935868000822425
EOS-3-44030,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncc(F)cn1,WWPCNSLNLGHMQM-UHFFFAOYSA-N,3,1,0.382,31,602,477.891,3.41,5,0.347,0.64,0.965,0.7584641217188678,0.7142844904393119,0.1123038174216983,0.15566102391885409,0.435178363374683
EOS-3-44031,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4F)n23)s1,WVCLWIHZMQAAKK-UHFFFAOYSA-N,3,1,0.518,4,202,423.408,3.562,5,0.427,0.59,1.0,0.5534490439311904,0.7096240833390446,0.6056558837639641,0.6199369474333494,0.6221664896168871
EOS-3-44032,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)nc1,BCLQHHONOBIBMC-UHFFFAOYSA-N,3,1,0.525,65,981,410.441,2.968,5,0.421,0.75,1.0,0.7407734219724488,0.6130234391062984,0.18879788910972517,0.15048660132958674,0.4232703378795148
EOS-3-44033,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)nn1C,AOGOSFCLGKEXPW-UHFFFAOYSA-N,3,1,0.586,91,742,462.916,4.914,5,0.358,0.72,1.0,0.6650846412171887,0.8015814543211569,0.7909499006236721,0.7692498800630526,0.7567164690562675
EOS-3-44034,Cc1ncc(-c2cccc(CCc3cncc4nnc(-c5ccc(C)c(F)c5)n34)n2)o1,VWYYMHKVDHYIGR-UHFFFAOYSA-N,3,1,0.382,14,886,414.444,4.382,5,0.424,0.74,1.0,0.37398910287163317,0.5003683777671167,0.4717634158042629,0.4329466794599411,0.4447668939757385
EOS-3-44035,Cc1nc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)n1,DBMVRQZRWRJYBT-UHFFFAOYSA-N,3,1,0.329,82,974,410.401,1.508,5,0.465,0.65,0.995,0.10561304913988075,0.03194606264135426,0.06511719553149202,0.0402645466383387,0.06073521348776643
EOS-3-44036,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)nc1F,IUZMDZHPKNAOSP-UHFFFAOYSA-N,3,1,0.39,46,223,468.855,3.975,5,0.348,0.65,0.98,0.4970187101637996,0.5092265780275512,0.6587365499280379,0.6516859708039202,0.5791669522308271
EOS-3-44037,Cc1cc(-c2cnnc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)c2)ccn1,BOXUZFQAIZAMRA-UHFFFAOYSA-N,3,1,0.376,53,662,413.445,2.573,5,0.432,0.67,0.993,0.13252175998903434,0.08552361044479474,0.13235898841751764,0.08327907614282777,0.10842085874854362
EOS-3-44038,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)nc1,UMNOKPUMMDTBBC-UHFFFAOYSA-N,3,1,0.467,54,873,414.404,2.799,5,0.418,0.62,1.0,0.7012113631690768,0.5230792954561031,0.38527174285518473,0.4011633883901035,0.5026814474676171
EOS-3-44039,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(F)cc6F)nc5)n34)cc2)n(C)n1,BCDDIPVNCQPIAY-UHFFFAOYSA-N,3,1,0.329,38,725,481.47,4.297,6,0.37,0.72,1.0,0.2315554108697142,0.2998423685833733,0.48209512713316427,0.49171578370228225,0.3763021725721335
EOS-3-44040,Fc1cc(Cl)nc(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c1,NNCJPXDEXFCWJX-UHFFFAOYSA-N,3,1,0.517,75,278,447.861,4.057,5,0.362,0.56,1.0,0.784507573161538,0.8015900212459736,0.6640309094647385,0.6921561236378589,0.7355711568775272
EOS-3-44041,Fc1cccc(F)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)nc1,QTDIAVNZCHODDN-UHFFFAOYSA-N,3,1,0.325,45,315,436.372,5.131,5,0.365,0.72,0.998,0.33216537591666095,0.564551778493592,0.9758327050921801,0.9770749091905969,0.7124061921732575
EOS-3-44042,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)c(F)cn5)n34)c2)cn1,YOTHJUCCDAQFOH-UHFFFAOYSA-N,3,1,0.485,15,545,463.904,4.484,5,0.354,0.66,1.0,0.48957405249811525,0.5092351449523679,0.6501524912617367,0.6460832019738195,0.5737612226715099
EOS-3-44043,Clc1cc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)ccn1,UXZQRZFZNQXTFQ-UHFFFAOYSA-N,3,1,0.554,1,31,449.301,5.134,5,0.346,0.73,1.0,0.5251781920361867,0.690091494757042,0.85006168185868,0.8880988280446851,0.7383575491741484
EOS-3-44044,Cc1ncc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c2)cn1,LSSBIIVJNYDBBT-UHFFFAOYSA-N,3,1,0.573,97,253,460.9,5.237,5,0.357,0.76,1.0,0.927840792269207,0.9435610993077925,0.9055667877458707,0.882633130011651,0.9149004523336303
EOS-3-44045,Cc1csc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(CF)c5)n34)nn2)n1,NOOHHAWMXIWUFZ-UHFFFAOYSA-N,3,1,0.478,4,268,467.917,4.715,5,0.357,0.74,0.982,0.6679973956548557,0.8134123774929751,0.4360821739428415,0.4612517990542115,0.5946859365362209
EOS-3-44046,FC(F)c1ccc(COc2cncc3nnc(-c4cnnc(-c5cccnc5)c4)n23)cc1,KMWKUWVOOUZMRH-UHFFFAOYSA-N,3,1,0.488,89,676,431.406,4.16,5,0.399,0.55,1.0,0.6556267562195874,0.5894129943115619,0.884826262764718,0.8443218422315126,0.743546963881845
EOS-3-44047,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ncc(F)cc5F)cn4)n23)cn1,KATDQNARNUZMDK-UHFFFAOYSA-N,3,1,0.33,82,155,487.43,2.533,5,0.386,0.74,1.0,0.2452367898019327,0.21289664861901172,0.2740045233363032,0.17693269823864025,0.22726766499897197
EOS-3-44048,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nn5)cn4)n23)cn1,OHVZBLLVEGDGTP-UHFFFAOYSA-N,3,1,0.512,4,205,414.404,3.065,5,0.432,0.62,1.0,0.5955811801795627,0.6410886848057021,0.4470649715578096,0.3664759098074155,0.5125526865876224
EOS-3-44049,Cn1nc(-c2nnc3cncc(Oc4cc(F)cc(F)c4F)n23)cc1-c1cccc(F)c1,YQEBTWQCTCSGKY-UHFFFAOYSA-N,3,1,0.44,13,236,440.36,4.541,5,0.303,0.8,1.0,0.44373243780412586,0.527542663285587,0.939783085463642,0.9459684051812761,0.7142566479336577
EOS-3-44050,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c(OC)n1,RWEPVEHRPSZYBX-UHFFFAOYSA-N,3,1,0.454,31,180,461.461,2.629,5,0.321,0.63,1.0,0.39441265163456923,0.29985093550819,0.07370125419779316,0.0532520046604071,0.20530421150023986
EOS-3-44051,N#Cc1ccc(Cl)cc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,JNNPYLREVYJKLB-UHFFFAOYSA-N,3,1,0.323,96,957,409.84,4.44,5,0.437,0.86,1.0,0.2640069220752519,0.3870279624426016,0.8733808512096498,0.9050013707079707,0.6073542766088684
EOS-3-44052,COCc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,IOMNDIPAWSNCHE-UHFFFAOYSA-N,3,1,0.392,13,110,462.872,4.98,5,0.351,0.72,1.0,0.6495870742238367,0.6751936125008567,0.8561270646288808,0.8365687752724282,0.7543691316565007
EOS-3-44053,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)cc4)n23)cc1[N+](=O)[O-],RFNYWDXIKFWNBU-UHFFFAOYSA-N,3,1,0.381,14,319,441.426,4.195,5,0.297,0.76,1.0,0.34166609553834554,0.1682972380234391,0.4890771708587485,0.3123500788157083,0.32784764580906034
EOS-3-44054,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)c2)cn1,SNUZIWKKOFCEBY-UHFFFAOYSA-N,3,1,0.454,65,858,447.89,2.96,5,0.391,0.55,1.0,0.3877561510520184,0.4467993968884929,0.15658625179905422,0.1662754437667055,0.28935431087656777
EOS-3-44055,Clc1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5)n4)n23)cc1,VDTFLGVHMQLVCC-UHFFFAOYSA-N,3,1,0.448,22,990,409.24,3.741,5,0.451,0.79,1.0,0.08363888698512782,0.44680796381330956,0.4683023781783291,0.7409704612432322,0.4349299225549996
EOS-3-44056,Fc1ccnc(-c2ccc(Oc3cncc4nnc(-c5nncnc5-c5ccccc5)n34)nc2)c1,LYLRDRYXLYJILR-UHFFFAOYSA-N,3,1,0.306,30,543,463.436,4.032,6,0.373,0.57,1.0,0.5584435610993078,0.4509800561990268,0.3889298197519019,0.4455828935645261,0.4609840826536907
EOS-3-44057,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)ncn1,UEMQHQUWOHFKTC-UHFFFAOYSA-N,3,1,0.438,56,415,464.493,2.961,6,0.37,0.53,1.0,0.38776471797683504,0.18533685148379136,0.21648619011719553,0.14790795695976972,0.23437392913439792
EOS-3-44058,CCn1ccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(C)c4)n23)cc1,ZQWVBEYWVOYTCM-UHFFFAOYSA-N,3,1,0.267,64,27,458.529,5.107,6,0.357,0.74,1.0,0.12673908573778356,0.035047289424988005,0.34755157288739635,0.35336851483791376,0.2156766157220204
EOS-3-44059,FC(F)c1cncc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)n1,QMLOPSYRIYIJQJ-UHFFFAOYSA-N,3,1,0.418,51,48,467.827,3.603,5,0.345,0.61,1.0,0.6741655815228565,0.891971078061819,0.6145397847988486,0.580511959427044,0.6902971009526421
EOS-3-44060,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,FTRDMPANNDBGEO-UHFFFAOYSA-N,3,1,0.552,88,0,464.863,4.801,5,0.359,0.67,1.0,0.9596326502638612,0.9609947913097114,0.8954406826125694,0.909507573161538,0.9313939243369199
EOS-3-44061,Fc1cc(OC(F)F)ncc1-c1nnc2cncc(OCc3cnc(F)c(F)c3)n12,ICOQTJGSFIXJCP-UHFFFAOYSA-N,3,1,0.5,68,255,424.289,3.179,4,0.347,0.65,1.0,0.8991330272085533,0.9101672263724213,0.9661949146734288,0.9451888150229594,0.9301709958193407
EOS-3-44062,Cc1c(-c2cnc(Cl)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)cnn1C,UDKUGMKTNVCXKG-UHFFFAOYSA-N,3,1,0.323,52,582,484.951,4.108,6,0.376,0.81,1.0,0.11034199163868137,0.18119902679734082,0.26282468645055174,0.30273798917140704,0.21427592351449526
EOS-3-44063,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)F)nc5)n34)cn2)cc(C)n1,DGUPQLOQPOSCHD-UHFFFAOYSA-N,3,1,0.571,27,430,459.46,4.777,5,0.361,0.66,1.0,0.7528442190391337,0.6178637516277157,0.8076639709409911,0.6430419436639024,0.7053534713179357
EOS-3-44064,c1cc(-c2ncc(-c3nnc4cncc(-c5ccnnc5-c5ccoc5)n34)cn2)ncn1,KTTXMKPPXKXIMW-UHFFFAOYSA-N,3,1,0.275,86,780,420.396,2.755,6,0.419,0.56,1.0,0.14024055924885204,0.048857172229456514,0.1630542800356384,0.18812966897402508,0.135070420121993
EOS-3-44065,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)cc(C)n2)cn1,WTTCZCKJRKWTIJ-UHFFFAOYSA-N,3,1,0.484,87,661,458.913,3.93,5,0.377,0.58,1.0,0.5807175656226441,0.6950003426769926,0.27004660407100267,0.2639212528270852,0.4524214412994311
EOS-3-44066,Fc1ccccc1-c1nccnc1-c1nnc2cncc(-c3ncc(-c4cncnn4)s3)n12,KDTZWXFXMGWSEP-UHFFFAOYSA-N,3,1,0.325,39,972,454.454,3.363,6,0.395,0.52,0.977,0.1159790281680488,0.19869268727297648,0.14150846412171886,0.24580220683983278,0.17549559660064423
EOS-3-44067,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4cccc(-c5ccsc5)n4)n23)c1,PLWCGIIXUYBJLG-UHFFFAOYSA-N,3,1,0.345,32,515,451.49,5.178,6,0.367,0.72,0.992,0.22630388595709683,0.33907888424371185,0.6205280652456994,0.6950346103762594,0.4702363614556919
EOS-3-44068,c1cc(-c2nccnc2-c2nnc3cncc(OCc4cnc(-c5cscn5)cn4)n23)ccn1,VMKVPJOIFONEFQ-UHFFFAOYSA-N,3,1,0.396,80,277,466.49,3.136,6,0.361,0.62,1.0,0.3041857994654239,0.19870125419779316,0.09930779247481324,0.09855390309094647,0.1751871873072442
EOS-3-44069,COc1cc(-c2nnc(C)s2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,VAPCRCFXVVZZEX-UHFFFAOYSA-N,3,1,0.436,72,224,466.914,3.649,5,0.37,0.63,1.0,0.5251867589610033,0.5366407374408882,0.17908299636762387,0.1504951682544034,0.34785141525597973
EOS-3-44070,c1csc(-c2noc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)n2)c1,YBDMEWVYHMRKMU-UHFFFAOYSA-N,3,1,0.5,40,120,459.516,4.605,6,0.356,0.71,1.0,0.41607840449592215,0.48632718799259816,0.12644781029401686,0.1359913645397848,0.29121119183058053
EOS-3-44071,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1cccnc1,MPWFPNBQYICBTQ-UHFFFAOYSA-N,3,1,0.56,35,265,464.863,4.801,5,0.359,0.68,1.0,0.977588924679597,0.9744534301966966,0.9255277225687067,0.9360050716194914,0.953393787266123
EOS-3-44072,Cn1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cc1-c1ncccn1,YACWRCGJKUKSMK-UHFFFAOYSA-N,3,1,0.427,31,954,417.408,2.137,5,0.387,0.63,1.0,0.41834007264752243,0.26901857309300253,0.07799328353094373,0.08328764306764444,0.21215989308477828
EOS-3-44073,Cc1cc(-c2nnc3cncc(OCc4nnc(-c5cncs5)o4)n23)cc(-c2ncon2)n1,DADWUPOYXUZERI-UHFFFAOYSA-N,3,1,0.419,80,843,460.439,2.63,6,0.358,0.58,0.999,0.35545027756836406,0.3293382907271606,0.020432115687752724,0.015154890000685354,0.18009389349599067
EOS-3-44074,O=C(O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)c4)n23)nn1,IXWUEHAAPILBMO-UHFFFAOYSA-N,3,1,0.274,96,46,413.372,3.148,5,0.446,0.65,1.0,0.2290881365225139,0.17693269823864025,0.4213384963333562,0.429802618052224,0.3142904872866836
EOS-3-44075,Fc1cncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)c1,LDLGJVUNQWDCSD-UHFFFAOYSA-N,3,1,0.534,88,141,464.863,4.801,5,0.359,0.66,1.0,0.885083270509218,0.908111164416421,0.8930333767390858,0.9151189089164553,0.900336680145295
EOS-3-44076,Fc1nc(-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)ccc1-c1cnccn1,LUARBMMUUKUQDN-UHFFFAOYSA-N,3,1,0.299,10,952,471.847,3.079,6,0.356,0.58,0.838,0.03268281817558769,0.1940665478719759,0.19223322596120895,0.3470032896991296,0.19149647042697554
EOS-3-44077,Cc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1cscn1,KCTXRAVOQIQPPG-UHFFFAOYSA-N,3,1,0.595,59,294,452.902,4.99,5,0.374,0.7,0.999,0.7900418065931053,0.7806353231444041,0.752604345144267,0.7616767185251182,0.7712395483517236
EOS-3-44078,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ocnc5-c5ccc(Cl)cn5)n34)cc2)nn1,VINWLAAFENGWCP-UHFFFAOYSA-N,3,1,0.327,38,725,455.869,3.957,6,0.392,0.57,1.0,0.26401548900006855,0.32934685765197724,0.347560139812213,0.4170207662257556,0.3394858131725036
EOS-3-44079,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5F)n34)cn2)cn1,KFKKHZBAROFGTP-UHFFFAOYSA-N,3,1,0.5,59,109,465.851,4.462,5,0.354,0.68,1.0,0.8755140154890001,0.9011376876156535,0.867932287026249,0.8463008018641628,0.8727211979987664
EOS-3-44080,COc1cnsc1COc1cncc2nnc(-c3ccc(-c4nccn4C)c(Cl)c3)n12,XLJZGBDJHINGDB-UHFFFAOYSA-N,3,1,0.5,16,353,453.915,3.889,5,0.385,0.58,1.0,0.5278767733534371,0.5792783222534439,0.3143461722979919,0.2873603591254883,0.4272154067575903
EOS-3-44081,COc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(C)c5)n34)cnc2OC)cn1,YRMPDMDQAOTXQB-UHFFFAOYSA-N,3,1,0.506,97,657,472.48,4.292,5,0.346,0.73,1.0,0.790050373517922,0.6609211157562881,0.743163593996299,0.5150263861284353,0.677290367349736
EOS-3-44082,CCc1nc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1nccs1,ITMNMOKTPBOKKK-UHFFFAOYSA-N,3,1,0.443,18,690,447.499,4.028,5,0.372,0.61,0.965,0.6265077787677336,0.603231444040847,0.19556575971489273,0.19899252964155986,0.4060743780412583
EOS-3-44083,Cn1c(F)cnc1-c1cncc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,FKRRXVDYQLHIOM-UHFFFAOYSA-N,3,1,0.46,2,422,454.828,3.492,5,0.375,0.56,1.0,0.6587194160784045,0.5986138715646632,0.7069169350969776,0.697750325543143,0.6655001370707971
EOS-3-44084,Cc1cc(OCc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)ccc1Cl,IEXWDRBHSUGQOG-UHFFFAOYSA-N,3,1,0.433,14,18,433.924,5.456,5,0.368,0.83,1.0,0.47226029744362963,0.5138013158796518,0.7710575011993694,0.7666969364676856,0.6309540127475841
EOS-3-44085,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)s1,ZKVARSJWYOMLBD-UHFFFAOYSA-N,3,1,0.269,70,392,454.494,4.516,6,0.364,0.65,0.953,0.18203858542937426,0.24868069357823316,0.42523644712494,0.44559146048934273,0.32538679665547254
EOS-3-44086,OCc1cnc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cn1,XLJZFMQYHIFGHS-UHFFFAOYSA-N,3,1,0.423,2,422,464.848,2.902,5,0.377,0.59,1.0,0.6620776506065382,0.6178723185525323,0.6473168391474197,0.6108560071276814,0.6345307038585428
EOS-3-44087,Cc1cncc(CCOc2cncc3nnc(-c4cc(-c5cnc(C)o5)ccn4)n23)n1,ZPDJXQYQMVOJKK-UHFFFAOYSA-N,3,1,0.415,18,720,414.429,2.87,5,0.413,0.64,1.0,0.3508412720169968,0.12732163662531698,0.0993163593996299,0.061956000274141595,0.1598588170790213
EOS-3-44088,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnsc5)n4)n23)cn1,MZFPDOZYBDRGGN-UHFFFAOYSA-N,3,1,0.404,80,34,468.506,3.079,6,0.363,0.59,1.0,0.3297580700431773,0.2638184497292852,0.12645637721883352,0.10264032622849702,0.20566830580494827
EOS-3-44089,Fc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c(Cl)c1,YGUDUXVQHZASTL-UHFFFAOYSA-N,3,1,0.506,75,496,452.902,4.724,5,0.371,0.64,1.0,0.7558083750257008,0.7552172572133506,0.6414227948735521,0.7059403056678775,0.7145971831951203
EOS-3-44090,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)nc1,QGVXKUNLXFZTHB-UHFFFAOYSA-N,3,1,0.447,63,457,407.409,2.01,4,0.521,0.71,1.0,0.39442121855938594,0.14886745253923653,0.2309128915084641,0.12081077376464944,0.223753084092934
EOS-3-44092,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c(C)n2)n[nH]1,JFXNBJOPLLHTSQ-UHFFFAOYSA-N,3,1,0.436,16,677,450.865,3.96,5,0.404,0.55,0.378,0.7166232609142622,0.7278544993489137,0.5506990610650401,0.5182561167843192,0.6283582345281338
EOS-3-44093,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(F)c4)n23)c(Cl)c1,XSQYCPXFANKJLG-UHFFFAOYSA-N,3,1,0.357,25,219,484.886,3.898,6,0.37,0.76,0.983,0.24524535672674935,0.3963744774175862,0.46831094510314575,0.6226012610513331,0.4331330100747036
EOS-3-44094,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccc(Cl)nn6)cn5)n34)cc2)n1C,YZPPBTYGVXQWIA-UHFFFAOYSA-N,3,1,0.338,98,167,480.923,4.068,6,0.371,0.69,1.0,0.239968131039682,0.27406449181001985,0.3289956137344939,0.3405695291618121,0.29589944143650193
EOS-3-44095,COc1cnc(-c2cncc(-c3cncc4nnc(-c5cccnc5-c5ncc(F)cn5)n34)c2)cn1,FIBAMOJSICSDDN-UHFFFAOYSA-N,3,1,0.304,86,459,478.451,3.31,6,0.364,0.64,1.0,0.5020903296552669,0.5275512302104036,0.27401309026111986,0.24876636282639983,0.3881052532382976
EOS-3-44096,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cc(Cl)n2)nc1,NFSHDUJWFMJISA-UHFFFAOYSA-N,3,1,0.517,73,930,469.267,4.063,5,0.355,0.62,1.0,0.6180179562744157,0.7050407785621273,0.5705828935645261,0.6631570831334385,0.6391996778836269
EOS-3-44097,CCOc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)c1,ITUCTSYMNGXASX-UHFFFAOYSA-N,3,1,0.434,87,349,474.912,3.712,5,0.332,0.68,1.0,0.5071019806730176,0.5844870125419779,0.3700140497566993,0.3470118566239463,0.45215372489891026
EOS-3-44098,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)c(F)c1,HQINNNDVFPIXJO-UHFFFAOYSA-N,3,1,0.318,22,315,455.375,4.678,5,0.365,0.71,0.34,0.31205023644712493,0.39638304434240285,0.9104328010417381,0.8305719279007607,0.6123595024330066
EOS-3-44099,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)nc2F)nc1,ZMHUBLVHUDXWAG-UHFFFAOYSA-N,3,1,0.396,46,223,466.839,3.857,5,0.36,0.6,0.939,0.7228599821807964,0.7233911315194298,0.5541258309917072,0.5805205263518607,0.6452243677609486
EOS-3-44100,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cc(Cl)n2)cn1,BDYDVVFBRRKKGI-UHFFFAOYSA-N,3,1,0.447,55,564,466.839,3.857,5,0.36,0.6,1.0,0.8094287574532246,0.7722654375985196,0.7354447947364814,0.7197587553971626,0.7592244362963471
EOS-3-44101,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)c2)n1,WPMBOMPGANOENU-UHFFFAOYSA-N,3,1,0.455,87,307,449.396,3.682,5,0.365,0.57,1.0,0.7845161400863546,0.805753546706874,0.7950363237612227,0.7879429100130217,0.7933122301418682
EOS-3-44102,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(OCC(F)F)c5)ncn4)n23)cn1,TWVAVFSADSBMNL-UHFFFAOYSA-N,3,1,0.469,1,675,475.459,4.175,5,0.33,0.73,1.0,0.7012199300938935,0.6656757590295388,0.7755808375025701,0.6402062915495854,0.695670704543897
EOS-3-44103,Cn1ncc(F)c1CCOc1cncc2nnc(-c3cncc(-c4ccccn4)c3)n12,APSHBRYSPRJSNZ-UHFFFAOYSA-N,3,1,0.443,87,349,416.42,2.742,5,0.42,0.64,1.0,0.4722688643684463,0.3870365293674183,0.24158727983003223,0.254900280995134,0.3389482386402577
EOS-3-44104,OCc1nnc(-c2cnc(-c3nnc4cncc(OCCc5cnccn5)n34)c(Cl)c2)s1,UHCXIYHZYMQBEA-UHFFFAOYSA-N,3,1,0.406,20,658,467.902,2.262,5,0.379,0.62,0.383,0.3944297854842026,0.45098862312384347,0.03344527448427113,0.059094647385374545,0.23448958261942293
EOS-3-44105,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5cccnc5-c5ccccc5)n34)nc2)nn1,FEFCBMXBXXCMIR-UHFFFAOYSA-N,3,1,0.363,30,371,458.485,4.806,6,0.363,0.68,1.0,0.36017065314234803,0.2436690425604825,0.4034421903913371,0.3664844767322322,0.34344159070659996
EOS-3-44106,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)cc1,HSHIVUGXBUPSQA-UHFFFAOYSA-N,3,1,0.379,21,810,415.46,4.91,6,0.442,0.76,1.0,0.20703687204441093,0.16034713179357138,0.719955794667946,0.7538551161675006,0.4602987286683572
EOS-3-44107,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(C)nc5)cnn4)n23)nc1,DJPALCPPSKRJIJ-UHFFFAOYSA-N,3,1,0.443,4,207,410.441,3.234,5,0.435,0.74,1.0,0.2719398944554863,0.172529298882873,0.32173086148995955,0.23732095127133165,0.2508802515249126
EOS-3-44108,Cc1cnc(-c2cncc(-c3nnc4cncc(COc5cc(C)ccn5)n34)c2)nc1,OORXGDWJIDKKSS-UHFFFAOYSA-N,3,1,0.324,2,131,410.441,3.234,5,0.435,0.74,1.0,0.24525392365156604,0.17694126516345693,0.23449386608183126,0.15300527722568708,0.20242358303063535
EOS-3-44109,N#Cc1ccc(-c2ccc(F)c(-c3nnc4cncc(-c5cncnc5-c5ccccn5)n34)n2)cc1,UAEPMZIQZQDKKC-UHFFFAOYSA-N,3,1,0.326,32,20,471.459,4.383,6,0.372,0.63,1.0,0.33458981563977797,0.4422246590363923,0.6414313617983689,0.6921646905626756,0.5276026317593037
EOS-3-44110,Fc1cc(Cl)cc(-c2ccnc(-c3nnc4cncc(COc5cnnc(Cl)c5)n34)c2)c1,XUAUEBCIIMSMPV-UHFFFAOYSA-N,3,1,0.343,14,189,468.279,4.668,5,0.37,0.66,1.0,0.4230604482215064,0.5183246521828524,0.8434394489753958,0.897719484613803,0.6706360084983893
EOS-3-44111,COc1cnc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1cnccn1,SCZQZMLZHVRXOI-UHFFFAOYSA-N,3,1,0.448,18,324,460.885,3.322,5,0.36,0.54,0.92,0.6207079706668495,0.5507675964635734,0.3436279213213625,0.3183640600370091,0.45836688712219864
EOS-3-44112,OCc1nnc(-c2ccc(-c3nnc4cncc(-c5ncc(CC6CCOCC6)cn5)n34)cn2)o1,RJDFRMBJYHCSSL-UHFFFAOYSA-N,3,1,0.311,50,974,471.481,2.155,6,0.388,0.61,0.727,0.060105544513741345,0.037977177712288396,0.004900280995133986,0.01759646357343568,0.03014486669864985
EOS-3-44113,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5Cl)n34)cn2)nn1,RXQXBQFVKUDYHO-UHFFFAOYSA-N,3,1,0.318,98,765,481.911,3.463,6,0.372,0.68,1.0,0.15711740113768763,0.27407305873483656,0.22717771228839695,0.2787420327599205,0.2342775512302104
EOS-3-44114,CCOc1ccc(F)cc1-c1nnc2cncc(-c3cnnc(-c4ccnnc4)c3)n12,LHMPDZAXGKNZFQ-UHFFFAOYSA-N,3,1,0.395,22,844,414.404,3.243,5,0.432,0.6,1.0,0.3854088136522514,0.43805256665067505,0.5603882530326914,0.515034953053252,0.4747211465972174
EOS-3-44115,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccccc5)c4)n23)cc1,JSOZGWOFHWWZIR-UHFFFAOYSA-N,3,1,0.35,62,3,406.449,3.88,5,0.49,0.87,1.0,0.1987183880474265,0.05254951682544034,0.6056644506887807,0.5416266876841889,0.3496397608114591
EOS-3-44116,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)nn2C)s1,NHWRWPGEOBKGDD-UHFFFAOYSA-N,3,1,0.398,31,569,452.931,3.627,5,0.388,0.59,0.735,0.2743986018778699,0.20322459050099376,0.0780018504557604,0.10473065588376397,0.165088924679597
EOS-3-44118,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)c(-c2ccc(F)cc2)n1,GURBTRSGJQRETH-UHFFFAOYSA-N,3,1,0.338,32,20,466.505,4.881,6,0.365,0.72,0.953,0.23734665204578165,0.38704509629223494,0.4176718525118224,0.46126036597902814,0.3758309917072168
EOS-3-44119,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c1,YRAZGDPNSOROPF-UHFFFAOYSA-N,3,1,0.522,47,164,450.865,3.694,5,0.393,0.55,1.0,0.910150092522788,0.870279624426016,0.577187992598177,0.5895500651086286,0.7367919436639024
EOS-3-44120,FC1(F)CCC(c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nn2)CC1,WJROIPWUXKQNGE-UHFFFAOYSA-N,3,1,0.451,78,792,457.872,4.502,5,0.407,0.64,0.624,0.5611335754917415,0.7933315057227058,0.3363117675279282,0.5805290932766775,0.5678264855047632
EOS-3-44121,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)c(F)c1F,SUCPJIXJGRAWDJ-UHFFFAOYSA-N,3,1,0.4,73,756,469.814,4.293,5,0.354,0.66,1.0,0.7760006168185868,0.9011462545404701,0.895449249537386,0.9095161400863546,0.8705280652456994
EOS-3-44122,Fc1ncc(F)c(COc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)n1,OLTZPTXPBTWLBN-UHFFFAOYSA-N,3,1,0.5,73,300,418.367,2.896,5,0.402,0.62,1.0,0.7166318278390789,0.6461174696730861,0.44707353848262626,0.4203190322801727,0.557535467068741
EOS-3-44123,FC(F)c1ccc(-c2nnc3cncc(OCc4scnc4-c4ccncc4)n23)cc1,KVNPEWMAUPAADO-UHFFFAOYSA-N,3,1,0.531,97,676,436.447,4.826,5,0.38,0.71,1.0,0.770269344116236,0.6950089096018094,0.8210198067301762,0.7789305051058872,0.7663071413885272
EOS-3-44124,Cc1cc(Cl)ncc1COc1cncc2nnc(-c3ccc(-c4nccn4C)c(F)c3)n12,PWCPBTQHPAJZKM-UHFFFAOYSA-N,3,1,0.512,16,353,449.877,4.267,5,0.373,0.6,1.0,0.8119902679734082,0.7850301555753547,0.737877801384415,0.6977588924679597,0.7581642793502844
EOS-3-44125,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(OC(F)F)cc4Cl)n23)nc1,QHDYLAUUCHZZAX-UHFFFAOYSA-N,3,1,0.4,96,856,469.814,4.704,5,0.368,0.67,0.993,0.5456702761976561,0.8172931944349257,0.8954578164622027,0.9162154752929889,0.7936591905969433
EOS-3-44126,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)nn1C,LGSVSVCNMQLTLU-UHFFFAOYSA-N,3,1,0.37,31,564,453.869,3.175,5,0.389,0.53,0.998,0.3392073881159619,0.2791789459255706,0.34756870673702966,0.35985367692413134,0.3314521794256734
EOS-3-44127,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnc(C)nc5CCl)nc4)n23)n1,GDRFYOXZVOHSOI-UHFFFAOYSA-N,3,1,0.452,7,567,464.942,4.034,5,0.347,0.72,1.0,0.4094133369885546,0.4643701596874786,0.09217154410252895,0.07813892125282708,0.2610234905078473
EOS-3-44128,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)c(C)n4)n23)n(C)n1,ASTLLABRXFJUIC-UHFFFAOYSA-N,3,1,0.383,31,662,446.902,3.831,5,0.378,0.61,1.0,0.33921595504077856,0.36817216092111577,0.22718627921321363,0.20510931396066068,0.28492092728394214
EOS-3-44129,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)o1,OKVJNIRCMVPZTP-UHFFFAOYSA-N,3,1,0.539,35,655,450.861,4.564,5,0.35,0.65,1.0,0.8850918374340346,0.7850387225001714,0.7329004180659311,0.6977674593927764,0.7751996093482284
EOS-3-44130,Cn1nc(-c2ncccn2)cc1-c1ncccc1-c1cncc2nnc(-c3cc(F)ccc3F)n12,SXXLYITXGMSGGY-UHFFFAOYSA-N,3,1,0.333,10,693,467.443,3.989,6,0.387,0.56,0.996,0.13779041875128503,0.304828318826674,0.47177198272907955,0.538062846960455,0.3631133918168734
EOS-3-44131,Cn1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ccccn1,MAKWJMBSGKMYOP-UHFFFAOYSA-N,3,1,0.473,95,493,416.42,2.742,5,0.42,0.62,1.0,0.4462339798505928,0.3150486601329587,0.2700551709958193,0.27575217599890345,0.3267724967445686
EOS-3-44132,Clc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cn1,XTKNWKJASFDOCA-UHFFFAOYSA-N,3,1,0.407,7,113,423.849,2.727,5,0.393,0.59,0.572,0.46003529573024465,0.45554622712631077,0.15989308477828798,0.18273250633952437,0.31455177849359195
EOS-3-44133,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)s2)cn1,XZCKLDSUYWCMJI-UHFFFAOYSA-N,3,1,0.337,32,687,458.51,4.91,6,0.369,0.7,1.0,0.12399766979644987,0.20323315742581044,0.5928740319374958,0.5926769926667124,0.3781954629566171
EOS-3-44134,COCc1nc(-c2ccnc(CF)c2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)n1,VYWQBCCHYGTHST-UHFFFAOYSA-N,3,1,0.417,18,840,472.484,3.276,5,0.319,0.65,1.0,0.4183486395723391,0.19870982112260982,0.23796347063258172,0.18274107326434103,0.25944075114796794
EOS-3-44135,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)ncn1,LTPHAMSTEBYRFE-UHFFFAOYSA-N,3,1,0.413,63,463,486.471,1.987,6,0.366,0.78,1.0,0.31456891234322526,0.2897076965252553,0.055607908984990746,0.06870673702967582,0.18214781372078678
EOS-3-44136,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)o1,KSURFJVUSUAACT-UHFFFAOYSA-N,3,1,0.436,31,207,439.888,3.881,5,0.392,0.57,1.0,0.5482660544171064,0.5049945171681174,0.2379720375573984,0.26094852991570144,0.38804528476458094
EOS-3-44137,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccs5)nc4)n23)c1,UXSWWVVMGLAWCA-UHFFFAOYSA-N,3,1,0.338,64,449,451.49,5.178,6,0.367,0.73,1.0,0.27194846138030293,0.4014803646083202,0.5437512850387225,0.6372849701871016,0.46361627030361185
EOS-3-44138,Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(C)nc5)n34)c2)cn1,PSGAICSOYSFTFJ-UHFFFAOYSA-N,3,1,0.6,97,205,409.453,3.839,5,0.435,0.81,1.0,0.5278853402782537,0.37765574669316704,0.560396819957508,0.42032759920498936,0.4715663765334795
EOS-3-44139,Cc1ccc(-c2nnc3cncc(OCc4nc(F)ccc4-c4cccnc4)n23)cc1Cl,MZPVYQYDSWZLHD-UHFFFAOYSA-N,3,1,0.511,97,91,446.873,4.928,5,0.356,0.7,1.0,0.8094373243780413,0.8645397847988486,0.8531886094167638,0.8532571448152971,0.8451057158522378
EOS-3-44140,Cc1c(F)ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)nn2C)c1F,JQACHHFFGCYDPR-UHFFFAOYSA-N,3,1,0.484,95,998,465.439,3.934,5,0.378,0.62,0.996,0.464927009800562,0.3963916112672195,0.7928860256322391,0.7590038379823179,0.6033021211705847
EOS-3-44141,Cc1cncc(COc2cncc3nnc(-c4cccc(-c5ccnc(F)c5)c4)n23)n1,BHZFLIYRIHNVHP-UHFFFAOYSA-N,3,1,0.494,97,744,413.416,3.67,5,0.406,0.7,1.0,0.5866972791446782,0.5183332191076692,0.5865088067987115,0.5449677883626893,0.5591267733534371
EOS-3-44142,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5nccc(F)c5F)cn4)n23)cc1Cl,PFKMVESKQIGJRE-UHFFFAOYSA-N,3,1,0.523,73,756,469.814,4.293,5,0.379,0.61,1.0,0.8578575834418477,0.9480758686861764,0.8930419436639024,0.9118634774861216,0.9027097183195121
EOS-3-44143,CCc1ncc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1cnc(C)nc1,WXRVYCITQZVKRS-UHFFFAOYSA-N,3,1,0.495,65,4,456.485,3.67,5,0.342,0.63,1.0,0.7320180248098143,0.7507110547597834,0.38156226440956753,0.27875059968473714,0.5357604859159756
EOS-3-44144,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccncn5)n34)c2)s1,NOCPHZSUCFCQGY-UHFFFAOYSA-N,3,1,0.457,87,838,417.458,2.425,5,0.41,0.62,1.0,0.4391576999520252,0.29985950243300663,0.04464224521965595,0.03774587074223837,0.20535132958673155
EOS-3-44145,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)cnn2)no1,HJUOUSROTBWRMN-UHFFFAOYSA-N,3,1,0.5,81,49,463.461,3.581,6,0.361,0.62,1.0,0.6040624357480638,0.3870536632170516,0.30336337468302377,0.26095709684051815,0.38885914262216437
EOS-3-44146,CCOc1cnccc1-c1cncc2nnc(-c3cncnc3-c3ccc(F)cc3)n12,ZRJMFHDAHQKMLK-UHFFFAOYSA-N,3,1,0.348,96,478,413.416,3.848,5,0.432,0.69,0.979,0.49702727708861627,0.5691607840449592,0.5928825988623124,0.5805376602014941,0.5599020800493455
EOS-3-44147,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnc(F)cn5)c4)n23)nc1,OSANRPWBNIWTJP-UHFFFAOYSA-N,3,1,0.362,33,647,484.47,3.405,6,0.393,0.66,0.999,0.16258309917072167,0.1812075937221575,0.3587828113220478,0.43611644164210817,0.2846724864642588
EOS-3-44148,Cc1nc(CCOc2cncc3nnc(-c4cnnc(-c5ccsc5)c4)n23)ccc1F,GGZOIBOYYZNVKH-UHFFFAOYSA-N,3,1,0.469,87,778,433.472,3.774,5,0.402,0.56,0.999,0.6319392091015009,0.5844955794667946,0.36266362826399834,0.3437564251936125,0.4807137105064766
EOS-3-44149,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)s5)n34)c2)cc1F,DTQNLISOLGQUOY-UHFFFAOYSA-N,3,1,0.511,4,666,436.447,4.475,5,0.404,0.63,1.0,0.6495956411486533,0.5645603454184086,0.6587451168528545,0.6372935371119183,0.6275486601329586
EOS-3-44150,COc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCc3cnc(CO)cn3)n12,LBPJXQUOLYSVRF-UHFFFAOYSA-N,3,1,0.426,7,456,449.456,1.575,5,0.386,0.55,1.0,0.2452624905763827,0.21787403193749572,0.04988520320745665,0.023953121787403192,0.13424371187718454
EOS-3-44151,CCOc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,KDZLZCRRHASUFS-UHFFFAOYSA-N,3,1,0.316,67,880,476.504,3.505,6,0.355,0.66,0.974,0.15964464395860462,0.021922760605852923,0.14447262010828593,0.15050373517922006,0.11913593996299088
EOS-3-44152,CCn1nc(-c2ncc(Cl)cn2)nc1-c1cncc2nnc(-c3ccc(C(F)(F)F)nn3)n12,NJTURSXSZKSVFG-UHFFFAOYSA-N,3,1,0.287,50,542,473.81,2.989,5,0.387,0.59,0.226,0.1876242204098417,0.30483688575149065,0.18880645603454185,0.24007950106229867,0.2303367658145432
EOS-3-44153,Fc1cnc(-c2ccnc(Cl)c2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,KBSCZYJICKIODA-UHFFFAOYSA-N,3,1,0.542,73,539,468.279,4.668,5,0.346,0.73,1.0,0.9347800013707079,0.9634877664313618,0.7478925364950997,0.8305804948255774,0.8691851997806866
EOS-3-44154,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cn1,PSHNMZSUTMVXTQ-UHFFFAOYSA-N,3,1,0.43,80,34,467.424,3.411,6,0.336,0.67,1.0,0.7289939003495305,0.5986224384894798,0.3815708313343842,0.35337708176273047,0.5156410629840312
EOS-3-44155,Cc1cnc(COc2cncc3nnc(-c4cccc(-c5cc(C#N)cnn5)c4)n23)cn1,JRSUFAPPGXCIAO-UHFFFAOYSA-N,3,1,0.432,71,506,421.424,2.797,5,0.421,0.53,1.0,0.4870896443012816,0.49585360838873277,0.40721163731067095,0.34702042354876295,0.4342938283873621
EOS-3-44156,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)ccc1-c1ccccn1,YBGJLVOMHYAKKP-UHFFFAOYSA-N,3,1,0.473,13,209,449.392,5.072,5,0.349,0.71,1.0,0.9359879377698581,0.9036392296621205,0.957884997601261,0.9256562264409568,0.9307920978685491
EOS-3-44157,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cc2F)n1,JCCHMCCJDDHTFX-UHFFFAOYSA-N,3,1,0.484,87,563,462.876,3.761,5,0.351,0.6,1.0,0.9187170173394559,0.9162668768418888,0.47846275101089714,0.47656946062641353,0.6975040264546638
EOS-3-44158,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5c(C)noc5C)cn4)n23)c(Cl)n1,OZGVQFBCHGEMHI-UHFFFAOYSA-N,3,1,0.506,4,205,447.886,4.394,5,0.365,0.69,1.0,0.5046689740250839,0.5412411760674388,0.3217394284147762,0.2670481803851689,0.408674439723117
EOS-3-44159,Fc1c(COc2cncc3nnc(-c4ccc(-c5cnsc5)cn4)n23)cncc1C(F)F,XGMYYLNZWMXJKW-UHFFFAOYSA-N,3,1,0.427,2,119,455.425,4.361,5,0.376,0.61,1.0,0.64960420807347,0.5845041463916113,0.8918597080392022,0.8443304091563293,0.7425746179151531
EOS-3-44160,CCn1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)c1C,IRALBZJDCATOOG-UHFFFAOYSA-N,3,1,0.595,4,439,463.904,4.75,5,0.361,0.71,1.0,0.30419436639024056,0.4335720649715578,0.59936776094853,0.6078147488177644,0.48623723528202323
EOS-3-44161,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)o4)n23)cc1,UYMRPXFQJCKPPX-UHFFFAOYSA-N,3,1,0.484,81,117,451.45,3.216,6,0.376,0.53,1.0,0.43212425467754095,0.26382701665410185,0.24871496127749984,0.19617401137687615,0.2852100609965047
EOS-3-44162,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4F)n23)ccn1,HPLVCTZJNNSGNR-UHFFFAOYSA-N,3,1,0.489,97,666,412.428,4.275,5,0.429,0.8,1.0,0.8601792200671647,0.8015985881707902,0.7591409087793846,0.7005431430333767,0.7803654650126791
EOS-3-44163,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c[nH]2)n1,TYPAJISTFLNGHH-UHFFFAOYSA-N,3,1,0.489,31,578,421.852,2.585,5,0.419,0.57,0.789,0.3486909738880132,0.3489222808580632,0.244996915907066,0.2487749297512165,0.29784627510108974
EOS-3-44164,CCc1nn(C)cc1CCOc1cncc2nnc(-c3cnc(OC)c(-c4nncc(C)n4)c3)n12,JTOQNXLTNKRVAI-UHFFFAOYSA-N,3,1,0.426,92,986,472.513,2.273,5,0.331,0.67,1.0,0.12674765266260024,0.07158522376807622,0.0142382290453019,0.0047803440477006374,0.05433786238091975
EOS-3-44165,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)cn2)ccc1F,JBTSJLNAXCPSDK-UHFFFAOYSA-N,3,1,0.34,32,20,449.449,5.018,6,0.373,0.66,1.0,0.28531286409430473,0.3916541018436022,0.7665427318209855,0.7409790281680488,0.5461221814817354
EOS-3-44166,COCn1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cncnn6)nn5)n34)cc2)nn1,JRERVTQFAFWFPS-UHFFFAOYSA-N,3,1,0.371,98,312,453.43,1.086,6,0.356,0.55,1.0,0.020183674868069358,0.01646562949763553,0.03882530326913851,0.04158385306010554,0.029264615173737234
EOS-3-44167,Cn1ccnc1-c1cc(F)c(-c2nnc3cncc(OCCCc4ccncc4)n23)cc1Cl,JQVLYHKKXPADPZ-UHFFFAOYSA-N,3,1,0.494,35,353,463.904,4.391,5,0.333,0.68,1.0,0.7290024672743473,0.7593122472757179,0.6056730176135974,0.6313823589884175,0.68134252278802
EOS-3-44168,Cc1ccc(-c2nnc3cncc(-c4ccc(F)cc4OCc4cccc(Cl)c4)n23)cn1,CBMUICPSGGXGCG-UHFFFAOYSA-N,3,1,0.404,57,533,445.885,5.533,5,0.355,0.81,1.0,0.5404187512850387,0.7465132615996162,0.9336234665204578,0.9333236241518744,0.7884697758892467
EOS-3-44169,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c(Cl)cn2)nn1,ZRNZVSDKCKJNSY-UHFFFAOYSA-N,3,1,0.432,53,602,480.319,3.67,5,0.359,0.66,0.991,0.6496127749982866,0.732720512644781,0.2524158727983003,0.34057809608662876,0.49383181413199917
EOS-3-44170,CCn1cnnc1-c1nc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)no1,PAIZJHYXGWWFFR-UHFFFAOYSA-N,3,1,0.406,56,428,472.494,3.155,6,0.341,0.66,1.0,0.40075217599890345,0.2638355835789185,0.018633061476252485,0.020740524981152766,0.1759903365088068
EOS-3-44171,FC(F)c1ccc(-c2ccccc2-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cn1,VZDFZGDWIVBBMZ-UHFFFAOYSA-N,3,1,0.366,42,106,468.427,4.903,6,0.351,0.75,1.0,0.3042029333150572,0.35353985333424714,0.7526129120690837,0.7222688643684463,0.5331561407717086
EOS-3-44172,Fc1ccccc1CCOc1cncc2nnc(-c3cnnc(-c4cccnn4)c3)n12,NSYDXFSKHHXLGX-UHFFFAOYSA-N,3,1,0.654,19,778,414.404,2.799,5,0.418,0.63,1.0,0.7498543622781166,0.7552258241381674,0.42134706325817284,0.4519052840792269,0.594583133438421
EOS-3-44173,Cn1c(F)cnc1-c1cccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,XUVGAGIZRCKXHQ-UHFFFAOYSA-N,3,1,0.54,37,265,467.867,4.14,5,0.373,0.6,1.0,0.7470358440134329,0.7327290795695977,0.7665512987458022,0.7739531217874032,0.755067336029059
EOS-3-44174,Cn1nnnc1-c1ncc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)s1,RFKNNZOUCAHBTE-UHFFFAOYSA-N,3,1,0.274,99,880,440.456,1.957,6,0.4,0.5,0.867,0.020192241792886027,0.019643958604619285,0.00562846960455075,0.009252278802001234,0.013679237201014324
EOS-3-44175,CCn1cnc(-c2csc(-c3nnc4cncc(-c5nnn(-c6ccccc6)n5)n34)c2)c1,COPFXSFHESSPBS-UHFFFAOYSA-N,3,1,0.229,99,952,440.496,3.379,6,0.405,0.5,0.374,0.005568501130834076,0.00430059625796724,0.04989377013227332,0.059103214310191214,0.02971652045781646
EOS-3-44176,Cc1cnc(-c2ccc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)nn5)n34)cc2F)nn1,OLHARYNICWGMKZ-UHFFFAOYSA-N,3,1,0.353,85,362,468.378,2.885,5,0.367,0.54,1.0,0.4160869714207388,0.560242615310808,0.5304040161743541,0.43295524638475774,0.48492221232266464
EOS-3-44177,CCN1CC(F)CC(Oc2c(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2C)C1=O,IGEHWOMJNVLSLF-UHFFFAOYSA-N,3,1,0.366,78,792,469.908,3.183,5,0.446,0.51,0.999,0.3218250976629429,0.49091905969433214,0.15359639503803715,0.3027465560962237,0.317271777122884
EOS-3-44178,COc1cnsc1COc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cn4)c3)n12,SWGBKQAYVGGJFY-UHFFFAOYSA-N,3,1,0.483,24,199,451.899,3.946,5,0.382,0.63,1.0,0.6319477760263176,0.5507761633883901,0.3217479953395929,0.3154684394489754,0.45498509355081895
EOS-3-44179,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)ns4)n23)cc1,LJUKGKFKKAOKFN-UHFFFAOYSA-N,3,1,0.321,98,42,472.925,3.821,6,0.356,0.66,1.0,0.16259166609553835,0.24868926050304982,0.14730827222260298,0.2373295181961483,0.19897967925433488
EOS-3-44180,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3cncc(C)n3)n12,HSZWEEICHRDAJK-UHFFFAOYSA-N,3,1,0.467,65,456,455.482,2.68,5,0.361,0.55,1.0,0.37635357412103354,0.14887601946405318,0.055616475909807415,0.022351106846686314,0.1507992940853951
EOS-3-44181,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(C)nc5OC)c4)n23)cn1,HCXOREKNBVISRG-UHFFFAOYSA-N,3,1,0.449,7,879,483.492,2.294,5,0.366,0.69,1.0,0.39652011513946955,0.13763621410458501,0.08996984442464533,0.024861215817969982,0.16224684737166745
EOS-3-44182,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccs5)cn4)n23)cc1,UPNKWBUVTBZBSI-UHFFFAOYSA-N,3,1,0.553,40,25,466.53,4.289,6,0.361,0.66,1.0,0.4774004523336303,0.3728411349461997,0.3329106983757111,0.26705674730998563,0.3625522582413817
EOS-3-44183,CCCc1cc(-c2cccc(-c3nnc4cncc(OCc5cccs5)n34)c2)nc(C)n1,BCWMVYOELLRASV-UHFFFAOYSA-N,3,1,0.545,4,506,442.548,5.15,5,0.347,0.77,1.0,0.4391662668768419,0.43358063189637447,0.2309214584332808,0.1827496401891577,0.3216044993489137
EOS-3-44185,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)no1,QCJFJEUAYUFUFP-UHFFFAOYSA-N,3,1,0.455,12,285,463.461,3.581,6,0.361,0.63,1.0,0.46004386265506136,0.4335891988211911,0.1017407991227469,0.13599993146460146,0.2828434480159002
EOS-3-44186,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)c(Cl)n2)n(C)n1,VQFJRUHSANBOJK-UHFFFAOYSA-N,3,1,0.56,36,185,438.904,3.584,5,0.387,0.57,1.0,0.34869954081282983,0.5092437118771845,0.07370982112260983,0.09856247001576314,0.25755388595709683
EOS-3-44187,Cc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)c2)n(C)n1,DWJTZBMZWUSHRI-UHFFFAOYSA-N,3,1,0.529,40,78,464.489,4.129,6,0.362,0.64,1.0,0.42790932766774037,0.1987183880474265,0.4784713179357138,0.359862243848948,0.36624031937495716
EOS-3-44188,Clc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3cnc(-c4ccsc4)nc3)n12,KVLYLOHUDHQXBG-UHFFFAOYSA-N,3,1,0.301,42,780,469.921,4.482,6,0.372,0.65,1.0,0.2719570283051196,0.3293554245767939,0.4856332670824481,0.5770252210266603,0.4159927352477555
EOS-3-44189,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccn1,OSTVTKMPRWJIHC-UHFFFAOYSA-N,3,1,0.477,7,535,419.836,2.609,5,0.427,0.55,1.0,0.4255362894935234,0.43359776574600783,0.19224179288602564,0.19091391953944212,0.3105724419162497
EOS-3-44190,COc1ccc(-c2nnc3cncc(OCc4ncc(-c5cn(C)nn5)cn4)n23)c([N+](=O)[O-])c1,HCXQOMTVOLZYPZ-UHFFFAOYSA-N,3,1,0.424,51,946,460.414,1.873,5,0.257,0.76,0.997,0.2800099376327873,0.11379446233979851,0.06322390514700843,0.009894798163251319,0.1167307758207114
EOS-3-44191,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)no1,QNDNTNRZDOTAED-UHFFFAOYSA-N,3,1,0.338,32,57,423.461,4.632,6,0.408,0.66,1.0,0.07705948872592694,0.16035569871838803,0.49919470906723323,0.4948341443355493,0.30786101021177437
EOS-3-44192,Cc1ncc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6nnn(C)n6)cc5)n34)c2)cn1,NGEHBCNKLXEKDV-UHFFFAOYSA-N,3,1,0.325,25,508,480.923,4.068,6,0.371,0.71,1.0,0.20427832225344392,0.27918751285038723,0.4213556301829895,0.4486926872729765,0.3383785381399493
EOS-3-44193,Cc1cnc(F)c(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,SOWIXOUUOYXNJM-UHFFFAOYSA-N,3,1,0.547,97,744,446.873,4.928,5,0.356,0.71,1.0,0.9200363237612227,0.9572596120896443,0.8665187444314989,0.860016448495648,0.9009577821945035
EOS-3-44194,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5nnc(-c6ccccc6)n5C)cc4)n23)c1,JIMVXAXANPZTJF-UHFFFAOYSA-N,3,1,0.568,12,755,474.528,4.536,6,0.35,0.73,1.0,0.46965595229936263,0.3340243986018779,0.3254232060859434,0.29964532931258997,0.3571872215749435
EOS-3-44195,Cc1cc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccc1Cl,PNYWFZPLHIAWKQ-UHFFFAOYSA-N,3,1,0.423,96,837,433.302,5.531,5,0.374,0.8,1.0,0.3369714207388116,0.584512713316428,0.8930505105887191,0.9403656363511754,0.6887250702487835
EOS-3-44196,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)ncn2)no1,HGBCOMXXMXNBNI-UHFFFAOYSA-N,3,1,0.427,89,463,487.455,2.55,6,0.363,0.8,1.0,0.39209958193406896,0.28448187238708794,0.05732986087314098,0.07246761702419299,0.20159473305462272
EOS-3-44197,Fc1cccc(-c2cccnc2-c2nnc3cncc(-c4cncc(-c5cnc(F)cn5)c4)n23)c1,KAWYUWBXIOXYET-UHFFFAOYSA-N,3,1,0.357,42,72,464.439,4.651,6,0.375,0.63,0.995,0.2507967240079501,0.33908745116852856,0.7568792406277842,0.8014786512233568,0.5370605167569049
EOS-3-44198,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cn1,FIQMGOJLVCXAJC-UHFFFAOYSA-N,3,1,0.277,98,356,479.483,3.431,6,0.365,0.67,0.659,0.1432561167843191,0.20801350147351108,0.05733842779795764,0.10909978754026455,0.12942695839901308
EOS-3-44199,COc1ncccc1-c1nc(Cc2cncc3nnc(-c4cnc(Cl)nc4)n23)cc(F)c1F,CYBGOBOEQGMMNL-UHFFFAOYSA-N,3,1,0.33,85,434,466.839,3.569,5,0.362,0.61,1.0,0.4996573230073333,0.6032400109656638,0.5473665273113563,0.5282708518950038,0.5446336782948393
EOS-3-44200,COc1nc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)ccc1-c1ncccn1,VGZZBXUMODXAKB-UHFFFAOYSA-N,3,1,0.468,49,896,477.887,4.066,5,0.346,0.68,1.0,0.8690545541772325,0.8057621136316908,0.5202008087177027,0.5048831471455006,0.6749751559180317
EOS-3-44201,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cnnc(-c4ccc(Cl)cn4)c3)n12,FNVHRHXTWBUMLT-UHFFFAOYSA-N,3,1,0.478,53,778,447.89,2.96,5,0.391,0.53,1.0,0.4138253032691385,0.5003769446919334,0.15659481872387088,0.18275820711397436,0.31338881844972927
EOS-3-44202,c1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)c2)nc1,ZEPHYPRDMONHDZ-UHFFFAOYSA-N,3,1,0.288,42,727,418.424,3.095,6,0.463,0.54,1.0,0.06933212254129258,0.1042423411692139,0.292397710917689,0.3093430882050579,0.19382881570831334
EOS-3-44203,COc1cc(-c2nnc3cncc(COc4ccc(Cl)c(C)c4)n23)ccc1-c1ccccn1,BANZPBMLBOLUTL-UHFFFAOYSA-N,3,1,0.43,14,18,457.921,5.403,5,0.339,0.83,1.0,0.615276540333082,0.5602511822356246,0.8500702487834967,0.7811322047837708,0.7016825440339935
EOS-3-44204,Fc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5c(F)cccc5Cl)n4)n23)nc1,BGPVKHYUNNROLP-UHFFFAOYSA-N,3,1,0.449,34,671,468.826,4.898,5,0.365,0.67,1.0,0.7845247070111713,0.8134209444177918,0.9209187170173394,0.9435353985333425,0.8655999417449113
EOS-3-44205,COc1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ncc1-c1ccc(F)cn1,BQNXIPXNVZTIHW-UHFFFAOYSA-N,3,1,0.568,84,73,477.887,4.066,5,0.346,0.67,1.0,0.7900589404427387,0.6178808854773491,0.46831951202796246,0.49793537111918307,0.5935486772668083
EOS-3-44206,Cc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4)n23)n1,DBUSCSLOWMNVRM-UHFFFAOYSA-N,3,1,0.324,32,20,460.476,4.82,6,0.348,0.68,0.996,0.27196559522993624,0.40148893153313686,0.5993763278733466,0.5835617846617778,0.4640981598245494
EOS-3-44207,Cn1ccc(-n2ncc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)n1,WJXYTQNGUHSGAL-UHFFFAOYSA-N,3,1,0.288,98,342,421.428,2.229,6,0.425,0.53,0.931,0.00946645192241793,0.008849633335617847,0.053671783976423824,0.0743266397094099,0.03657862723596737
EOS-3-44208,COc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3cc(Cl)ncc3F)n12,JKLDIGFBOGVXHA-UHFFFAOYSA-N,3,1,0.44,55,540,464.848,3.418,5,0.349,0.6,1.0,0.82514906449181,0.7187478582687958,0.5170567473099856,0.4519138510040436,0.6282168802686587
EOS-3-44209,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)s2)ncn1,JQHLXOBUHIUMPL-UHFFFAOYSA-N,3,1,0.265,76,368,448.515,4.742,6,0.384,0.65,0.989,0.06357514906449181,0.10111541361113015,0.4072202042354876,0.39504660407100267,0.24173934274552805
EOS-3-44210,CCn1c(-c2ccnc(C)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnn4)nc3)n12,LCCNMPYWWRKOKL-UHFFFAOYSA-N,3,1,0.28,8,754,461.493,3.292,6,0.38,0.55,0.831,0.08154855732986087,0.0642947707490919,0.04639846480707285,0.057604002467274346,0.062461448838324996
EOS-3-44211,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)cc1Cl,GRMCQPGUQJDFFI-UHFFFAOYSA-N,3,1,0.264,39,596,470.859,3.684,6,0.383,0.55,0.959,0.05146151737372353,0.18534541840860805,0.5097662942910013,0.6014837913782468,0.3370142553628949
EOS-3-44212,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3cnn(Cc4ccc(Cl)c(F)c4)n3)n12,HZKCBUWYWSPFIW-UHFFFAOYSA-N,3,1,0.391,45,730,454.296,4.852,5,0.388,0.65,0.998,0.26922417928860254,0.5275597971352204,0.8119988348982249,0.8990387910355698,0.6269554005894045
EOS-3-44213,c1ccc(-c2cncc(-c3nnc4cncc(OCc5nncc(-c6ccns6)n5)n34)c2)nc1,GOVJDCOGKIXWEG-UHFFFAOYSA-N,3,1,0.404,80,843,466.49,3.136,6,0.361,0.6,1.0,0.3601792200671647,0.36316050990336507,0.10695805633609759,0.12541121239120007,0.23892724967445683
EOS-3-44216,Cc1nc(-c2cccnc2Cl)cc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)n1,SXGBKRQWDZGDNE-UHFFFAOYSA-N,3,1,0.333,38,983,467.88,4.322,6,0.349,0.64,1.0,0.280018504557604,0.32491775752176,0.3779470221369337,0.41065554108697144,0.3483847063258173
EOS-3-44217,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)nn4)n23)cc1,ZEVIYMDTOKCKAP-UHFFFAOYSA-N,3,1,0.544,89,534,411.45,3.76,5,0.434,0.74,1.0,0.7348279761496813,0.6901000616818587,0.5740439311904598,0.5580066479336577,0.6392446542389144
EOS-3-44218,Cc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc(-c2cncs2)n1,CPTPGYMTNZVGMB-UHFFFAOYSA-N,3,1,0.523,4,43,435.9,4.246,5,0.381,0.62,1.0,0.47472757179082997,0.5320060311150709,0.4034507573161538,0.4039904735796039,0.45354370845041464
EOS-3-44219,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)ccc1-c1nccn1C,PFQOEDRDLLMBQL-UHFFFAOYSA-N,3,1,0.376,31,717,460.929,4.085,5,0.376,0.61,0.888,0.4321328216023576,0.40604653553560416,0.2234939346172298,0.20207662257556028,0.315937478582688
EOS-3-44220,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cocn6)n5)n34)cc2F)n1,PLDLRDXZRDYLQD-UHFFFAOYSA-N,3,1,0.533,81,218,468.452,3.96,6,0.361,0.62,1.0,0.532802755123021,0.4817181824412309,0.527054348571037,0.45192241792886023,0.4983744260160372
EOS-3-44221,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)cnc2Cl)cn1,KDXVJTGIOXNSLN-UHFFFAOYSA-N,3,1,0.469,87,552,462.876,3.761,5,0.351,0.59,1.0,0.8251576314166267,0.8891097251730519,0.49232403536426567,0.5013278733465835,0.6769798163251319
EOS-3-44222,c1ccc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)cnn2)nc1,XZERINNOAYYYLE-UHFFFAOYSA-N,3,1,0.419,6,297,460.461,3.074,6,0.365,0.54,1.0,0.5278939072030704,0.4060551024604208,0.25934651497498457,0.22856555410869714,0.3554652696867932
EOS-3-44223,COc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3scnc3Cl)n12,XMVQSQQJCKTTGO-UHFFFAOYSA-N,3,1,0.488,35,710,465.926,3.988,5,0.355,0.64,1.0,0.6408059762867521,0.6512490576382701,0.18230416009869096,0.18813823589884174,0.41562435748063875
EOS-3-44224,CC#Cc1cnc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1Cl,QCSQQXISDVMSGC-UHFFFAOYSA-N,3,1,0.617,90,281,458.736,5.139,4,0.387,0.66,1.0,0.9528219450346104,0.960155232677678,0.9351483791378247,0.9508087177026935,0.9497335686382017
EOS-3-44225,CCn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)n2)c1,YIWZFAAHURTYOS-UHFFFAOYSA-N,3,1,0.436,36,617,451.853,3.231,5,0.362,0.57,1.0,0.472277431293263,0.5366493043657049,0.28168905489685425,0.28467034473305464,0.3938215338222192
EOS-3-44226,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)c2)n(C)n1,ILJIRROMBVHRJS-UHFFFAOYSA-N,3,1,0.462,2,422,450.865,3.662,5,0.403,0.54,1.0,0.45096292234939345,0.505003084092934,0.5507076279898567,0.5316976218216709,0.5095928140634638
EOS-3-44227,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cc1F,GAAJPHPBTMBMPX-UHFFFAOYSA-N,3,1,0.646,84,73,464.863,4.801,5,0.359,0.67,1.0,0.8513895552052635,0.8758909601809335,0.9152902474127887,0.9288088547734905,0.892844904393119
EOS-3-44228,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)cc1F,AADYDCOGUPUTND-UHFFFAOYSA-N,3,1,0.562,97,183,422.42,4.167,5,0.423,0.61,1.0,0.7730707285312864,0.6901086286066753,0.7887653347954219,0.7949849222123226,0.7617324035364266
EOS-3-44229,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)ccn2)s1,HMNIGBYPVMCFLR-UHFFFAOYSA-N,3,1,0.456,55,241,454.878,3.78,5,0.369,0.61,1.0,0.6804365704886574,0.6410972517305188,0.36267219518881505,0.40399904050442054,0.5220512644781029
EOS-3-44230,Cc1nc(-c2ncccn2)cc(-c2nnc3cncc(OCCc4cncnn4)n23)n1,UWAIAXIWJZNKSX-UHFFFAOYSA-N,3,1,0.383,31,851,413.405,1.153,5,0.395,0.66,1.0,0.4846138030292646,0.1527825371804537,0.01028030978000137,0.0076845315605510245,0.16384029538756767
EOS-3-44232,O=c1cc(-c2nnc3cncc(OCCc4cncnn4)n23)cc(-c2ccccn2)[nH]1,MAFSUOBNHUJPGU-UHFFFAOYSA-N,3,1,0.454,15,779,413.401,1.348,5,0.437,0.64,0.962,0.3531200740182304,0.14888458638886984,0.10451648276334727,0.11627887053663218,0.18070000342676992
EOS-3-44233,c1cncc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccon6)s5)n34)cn2)c1,VPJFOMULLAKHHQ-UHFFFAOYSA-N,3,1,0.438,6,297,455.463,3.334,6,0.368,0.61,1.0,0.34167466246316225,0.3681807278459324,0.07371838804742649,0.08863340415324515,0.2180517956274416
EOS-3-44234,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)ncn2)c1,FJDGODBPIIICKM-UHFFFAOYSA-N,3,1,0.392,44,194,466.839,3.591,5,0.35,0.61,0.533,0.7558169419505174,0.705049345486944,0.6382273319169351,0.6865447878829415,0.6964096018093345
EOS-3-44235,COc1ncc(-n2cc(-c3cncc4nnc(-c5ccc(-n6cc(C#N)nn6)cn5)n34)nn2)cn1,GSWMMFKWXSFIMQ-UHFFFAOYSA-N,3,1,0.248,99,312,464.413,0.685,6,0.349,0.57,1.0,0.06186176410115825,0.05630182989514084,0.04169522308272223,0.029547323692687272,0.04735153519292715
EOS-3-44236,Cc1ccc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)n4)n23)cc1C,SMOGYLRFZKYWRB-UHFFFAOYSA-N,3,1,0.57,90,636,414.296,4.731,4,0.442,0.73,1.0,0.8830700431773011,0.8786323761222672,0.7591494757042012,0.7811407717085875,0.8254981666780892
EOS-3-44237,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ncc(Cl)cn5)n4)n23)cn1,JUFUTDCMPNCKBP-UHFFFAOYSA-N,3,1,0.292,99,286,469.86,1.944,6,0.372,0.51,0.788,0.20143410321431018,0.23829758070043178,0.027559797135220342,0.054631279555890616,0.1304806901514632
EOS-3-44238,COc1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1ncon1,NAAKZJQUWJTPFZ-UHFFFAOYSA-N,3,1,0.44,46,896,453.821,3.616,5,0.38,0.55,0.993,0.7584726886436844,0.5941419368103625,0.5202093756425193,0.494842711260366,0.5919166780892331
EOS-3-44239,COc1nnc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)s1,YYEGEPCVMMAGKP-UHFFFAOYSA-N,3,1,0.355,52,916,485.533,2.591,6,0.369,0.73,0.997,0.2533239668288671,0.1376447810294017,0.012499143307518333,0.010802892193818107,0.1035676958399013
EOS-3-44240,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCc4cccc(-c5cc[nH]n5)n4)n23)c1,PQNNKFSXIAWUST-UHFFFAOYSA-N,3,1,0.422,28,414,465.452,3.752,6,0.369,0.59,0.977,0.49444863271879924,0.47761462545404704,0.48564183400726474,0.45193098485367694,0.47740901925844703
EOS-3-44241,Cn1nc(-c2nnc3cncc(OCc4cc(CF)cnn4)n23)cc1-c1cncn1CCF,NDPXCIWPIWMHLT-UHFFFAOYSA-N,3,1,0.333,31,105,452.429,2.196,5,0.352,0.55,0.97,0.10034439037763004,0.04168665615790556,0.09218011102734562,0.09063806456034541,0.08121230553080666
EOS-3-44242,Fc1ncccc1-c1cncc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)c1,QGPJGCOJZSVBMT-UHFFFAOYSA-N,3,1,0.424,2,419,434.822,3.41,5,0.306,0.7,1.0,0.7075166198341444,0.7327376464944144,0.547375094236173,0.5864831060242616,0.6435281166472483
EOS-3-44243,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCc3cc(Cl)cnn3)n12,IRXIDAFTCHGMGK-UHFFFAOYSA-N,3,1,0.444,92,710,452.887,3.341,5,0.382,0.56,0.999,0.42554485641834006,0.569169350969776,0.18563669385237475,0.17429408539510657,0.3386612466588993
EOS-3-44244,Cc1ccc(-c2nnc3cncc(-c4ccc(F)cc4OCc4cccc(C)n4)n23)cc1,JVFARULMAYLFIW-UHFFFAOYSA-N,3,1,0.375,62,3,425.467,5.188,5,0.388,0.74,0.999,0.6265163456925502,0.6803337673908574,0.841888835583579,0.7739616887122198,0.7306751593448015
EOS-3-44245,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(OCc5ccc(F)c(F)c5)cn4)n23)cc1,JEYWACWOBVGKHM-UHFFFAOYSA-N,3,1,0.47,62,319,486.482,3.994,5,0.374,0.79,1.0,0.6408145432115687,0.5691779178945926,0.8210283736549928,0.7089301624288945,0.6849877492975122
EOS-3-44246,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)n1C,JQOYOYOTTVQKEF-UHFFFAOYSA-N,3,1,0.511,37,639,464.892,3.704,5,0.353,0.61,1.0,0.7135049002809951,0.785047289424988,0.29240627784250567,0.3565725447193475,0.5368827530669591
EOS-3-44247,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5csc(F)c5)n34)ncn2)cn1,UVSTWPKKTRKMBF-UHFFFAOYSA-N,3,1,0.422,46,395,423.408,3.562,5,0.399,0.59,0.967,0.6650932081420053,0.5507847303132067,0.6587536837776712,0.6343036803509012,0.6272338256459462
EOS-3-44248,c1cncc(-c2ncc(-c3nnc4cncc(-c5ccc(OC6CC6)nc5)n34)cn2)c1,CKWLIFNBCYZCOD-UHFFFAOYSA-N,3,1,0.302,82,800,408.425,3.247,6,0.436,0.84,1.0,0.36018778699198134,0.21788259886231237,0.15990165170310466,0.22857412103351382,0.24163653964772805
EOS-3-44249,Clc1cccnc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)s1,KQNORIAFSSDXEO-UHFFFAOYSA-N,3,1,0.338,3,641,469.921,4.482,6,0.372,0.67,1.0,0.18763278733465835,0.34416763758481256,0.22012713316427934,0.36958570351586595,0.28037831539990404
EOS-3-44250,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3ncc(F)cn3)n12,UAFGIZHIHZBOQC-UHFFFAOYSA-N,3,1,0.436,65,456,459.445,2.511,5,0.358,0.54,1.0,0.6152851072578988,0.4909276266191488,0.08738263313001166,0.05195839901309026,0.31138844150503736
EOS-3-44251,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,HTQPNKKEAYLKBG-UHFFFAOYSA-N,3,1,0.46,18,211,412.457,3.086,5,0.405,0.7,1.0,0.2880799808100884,0.05631039681995751,0.252424439723117,0.18814680282365842,0.1962404050442053
EOS-3-44252,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)nn1,KAFJCNVUELHREV-UHFFFAOYSA-N,3,1,0.43,54,411,466.839,3.591,5,0.35,0.58,0.807,0.8251661983414433,0.8016071550956069,0.6557723939414708,0.7089387293537112,0.747871119183058
EOS-3-44253,Cc1nc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)[nH]c1F,FBTIWBCHRCDPSB-UHFFFAOYSA-N,3,1,0.4,31,779,456.894,3.755,5,0.414,0.56,0.314,0.6496213419231033,0.5986310054142965,0.2851843602220547,0.3405866630114454,0.46850584264272493
EOS-3-44254,Fc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ccccn1,MVKWEADEFYBXOK-UHFFFAOYSA-N,3,1,0.494,18,393,413.416,3.404,5,0.394,0.71,1.0,0.7873260914262217,0.7233996984442465,0.47493317798643,0.46126893290384485,0.6117319751901857
EOS-3-44255,Fc1cc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)ccn1,AYVLHXPNFSEIIM-UHFFFAOYSA-N,3,1,0.553,97,744,450.836,4.759,5,0.359,0.66,1.0,0.695377287368926,0.8391902542663285,0.9328438763621411,0.9377270235076417,0.8512846103762594
EOS-3-44256,CCn1nccc1-c1cccc(-c2nnc3cncc(OCCc4ccccn4)n23)c1,PJODORVOSURKDU-UHFFFAOYSA-N,3,1,0.58,15,796,411.469,3.691,5,0.406,0.76,1.0,0.404838599136454,0.2331231581111644,0.23798060448221506,0.20511788088547736,0.2702650606538277
EOS-3-44257,COc1ccc(-c2nnc3cncc(OCc4cncs4)n23)cc1-c1ccccn1,JKAVLQUKQSPJFG-UHFFFAOYSA-N,3,1,0.506,97,61,416.466,3.897,5,0.415,0.73,1.0,0.4747361387156466,0.31505722705777534,0.4399201562607087,0.32444657665684323,0.38854002467274346
EOS-3-44258,Fc1cc(COc2cncc3nnc(-c4cc(-c5cnns5)cnn4)n23)ncc1Cl,KQFLKWPDXCOZHN-UHFFFAOYSA-N,3,1,0.443,53,182,441.839,2.866,5,0.405,0.53,1.0,0.38315571242546775,0.4336063326708245,0.37404907134534987,0.4582191076691111,0.4122575560276883
EOS-3-44259,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cscn6)cn5)n34)cc2)ccc1F,BYAVNSITGIAWIV-UHFFFAOYSA-N,3,1,0.321,38,532,466.505,4.881,6,0.365,0.68,1.0,0.2640240559248852,0.3728497018710164,0.5097748612158179,0.5013364402714002,0.41199626482077994
EOS-3-44261,Cc1nc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)ccc1-c1cnn(C)c1,LASMCBVZXFMZNV-UHFFFAOYSA-N,3,1,0.424,59,772,467.867,4.406,5,0.356,0.67,1.0,0.5303269138510041,0.5507932972380234,0.8517407991227469,0.8244808443561099,0.6893354636419711
EOS-3-44262,Fc1ccc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)nc1,OTRVVIPUSGUZIM-UHFFFAOYSA-N,3,1,0.562,11,595,464.863,4.801,5,0.336,0.69,1.0,0.9006236721266534,0.9334521280241245,0.9045216229182372,0.9139281063669386,0.9131313823589885
EOS-3-44263,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(Cl)n1,IEUGZXXATODHDC-UHFFFAOYSA-N,3,1,0.495,65,262,450.865,3.396,5,0.366,0.54,1.0,0.7702779110410527,0.690117195531492,0.4252450140497567,0.44870125419779316,0.5835853437050237
EOS-3-44264,c1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)ns5)n34)nc2)cc1,UFNNPDBONXUOBZ-UHFFFAOYSA-N,3,1,0.338,30,737,433.5,5.039,6,0.387,0.73,1.0,0.07706805565074361,0.12368926050304982,0.2924148447673223,0.42033616612980607,0.22837708176273047
EOS-3-44265,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc(-c2ncon2)n1,PRRQWAFUVBWHSJ-UHFFFAOYSA-N,3,1,0.444,7,85,421.808,2.567,5,0.39,0.6,1.0,0.48462236995408126,0.6222243163593997,0.10696662326091426,0.12942910013021725,0.3358106024261531
EOS-3-44266,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1cncc(C)n1,LSBSFFSJRXSHNA-UHFFFAOYSA-N,3,1,0.38,7,690,456.485,3.936,5,0.379,0.58,0.794,0.5534576108560071,0.46865362209581246,0.2816976218216709,0.19900109656637655,0.37570248783496674
EOS-3-44267,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(OCCc5ccc(Cl)cn5)n4)n23)cc1,VKRIVANBYWHJCX-UHFFFAOYSA-N,3,1,0.364,29,849,487.911,2.673,5,0.367,0.76,1.0,0.43917483380165856,0.29986806935782334,0.14151703104653554,0.10473922280858063,0.2463247892536495
EOS-3-44268,Cc1c(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)c2)cnn1C,NSNXKXZRKCINHW-UHFFFAOYSA-N,3,1,0.563,37,626,463.904,4.309,5,0.349,0.68,1.0,0.6741741484476732,0.7421441299431156,0.6967051607155096,0.6631656500582551,0.6940472722911384
EOS-3-44269,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cccs5)cc4F)n23)c1F,WFTROIHZOMBTGU-UHFFFAOYSA-N,3,1,0.461,97,606,435.459,5.08,5,0.385,0.71,1.0,0.8991415941333699,0.8356692481666781,0.8679408539510657,0.8406551984099787,0.8608517236652731
EOS-3-44270,c1csc(-c2nc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)cs2)c1,ZLTPYXJIVQXFFC-UHFFFAOYSA-N,3,1,0.301,38,126,427.518,5.033,6,0.426,0.71,0.999,0.06187033102597492,0.18121616064697416,0.3181498869165924,0.35987081077376465,0.2302767973408265
EOS-3-44271,Cc1nc(-c2cnncc2-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cs1,RNWFBIVKRMMZMP-UHFFFAOYSA-N,3,1,0.321,30,945,448.515,4.742,6,0.384,0.61,1.0,0.05469981495442396,0.10788328421629771,0.392459392776369,0.4170293331505723,0.24301795627441575
EOS-3-44272,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1-c1cnccn1,VZHOPBKVZFPMCK-UHFFFAOYSA-N,3,1,0.396,7,564,421.371,2.234,5,0.425,0.53,1.0,0.44848708107737645,0.28971626345007195,0.4034593242409705,0.3920310465355356,0.3834234288259886
EOS-3-44273,Cc1c(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4Cl)n23)ccnc1-c1ccccn1,MQZKBDXOIBHMRI-UHFFFAOYSA-N,3,1,0.3,98,219,480.923,4.068,6,0.371,0.69,0.989,0.18472859982180798,0.2897248303748886,0.24500548283188267,0.33743403467891164,0.2642232369268728
EOS-3-44274,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)c1Cl,ZUUWYPJGYHNQRT-UHFFFAOYSA-N,3,1,0.383,51,196,465.304,4.233,5,0.38,0.62,0.984,0.5982369268727298,0.555033925022274,0.5097834281406346,0.5956411486532794,0.5646738571722295
EOS-3-44275,Clc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cscn1,BNSQZNLUYDDBPQ-UHFFFAOYSA-N,3,1,0.538,97,214,426.914,4.604,5,0.408,0.67,1.0,0.6587279830032212,0.680342334315674,0.5063138235898842,0.5740439311904598,0.6048570180248098
EOS-3-44276,CCn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,WYJYIWKFXBRNQU-UHFFFAOYSA-N,3,1,0.41,8,474,482.939,4.186,6,0.363,0.75,1.0,0.08155712425467754,0.2585669248166678,0.1237749297512165,0.237338085120965,0.1753092659858817
EOS-3-44277,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cn1,JRTDNADIKZDCMG-UHFFFAOYSA-N,3,1,0.433,7,435,417.82,2.666,5,0.397,0.59,1.0,0.5482746213419231,0.7593208142005345,0.3475772736618463,0.3598793776985813,0.5037630217257213
EOS-3-44278,C#Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(OC)n4)n23)cn1,BRMOEEZNCUCBJT-UHFFFAOYSA-N,3,1,0.462,49,501,450.462,2.65,5,0.345,0.55,0.996,0.4821465286820643,0.26384415050373516,0.15991021862792132,0.10055856349804675,0.2516148653279419
EOS-3-44279,COCc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,VIIASYNBNBBFNN-UHFFFAOYSA-N,3,1,0.511,4,31,464.938,4.689,5,0.345,0.69,1.0,0.5430402302789391,0.6178894524021658,0.5473836611609897,0.5182646837091358,0.5566445068878076
EOS-3-44280,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)c(F)cn1,RHMASNSNRIPMSL-UHFFFAOYSA-N,3,1,0.364,45,575,456.243,4.895,5,0.36,0.69,1.0,0.4116664382153382,0.7142930573641286,0.9419162497429923,0.9675227880200123,0.7588496333356178
EOS-3-44281,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ncc5F)ncn4)n23)nn1,GGFUOXUAXOJGNJ-UHFFFAOYSA-N,3,1,0.379,53,354,462.38,1.389,5,0.365,0.53,0.241,0.4747447056404633,0.25358097457336715,0.18564526077719143,0.17166403947638956,0.27140874511685287
EOS-3-44282,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)nc1F,RBMJHVLQHMURSH-UHFFFAOYSA-N,3,1,0.426,18,265,468.855,3.535,5,0.352,0.6,0.999,0.7873346583510383,0.6852254814611747,0.5834161469398944,0.6045421835377973,0.6651296175724762
EOS-3-44283,Cn1nc(C(F)F)cc1-c1cccc(-c2cncc3nnc(-c4cnc(C(F)(F)F)nc4)n23)n1,LMEUPEMBSKYHGP-UHFFFAOYSA-N,3,1,0.298,50,243,473.369,4.0,5,0.364,0.64,1.0,0.1732746213419231,0.2740816256596532,0.8622695497224316,0.7059488725926941,0.5038936673291755
EOS-3-44284,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccnc5Cl)n4)n23)c(F)c1,CHQCYIKHLNLKSH-UHFFFAOYSA-N,3,1,0.293,10,681,473.863,3.022,6,0.358,0.57,0.878,0.022171201425536288,0.18955177849359195,0.292423411692139,0.3980707285312864,0.22555428003563838
EOS-3-44285,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cccc(-c4cncnc4)n3)n12,GLKPBPMUKCISRV-UHFFFAOYSA-N,3,1,0.453,27,69,450.384,3.694,5,0.361,0.58,1.0,0.6526026317593037,0.7933400726475225,0.7639812213008018,0.6688540881365225,0.7196945034610377
EOS-3-44286,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)c2)o1,LFMOPIJAQOHYRM-UHFFFAOYSA-N,3,1,0.565,84,884,450.861,4.564,5,0.374,0.64,1.0,0.7528527859639503,0.7465218285244328,0.7848331163045713,0.7667055033925022,0.7627283085463642
EOS-3-44287,COc1nc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3cncs3)n12,QGOQLVHZHWRWRU-UHFFFAOYSA-N,3,1,0.462,65,456,421.446,2.058,5,0.42,0.58,0.999,0.41609553834555546,0.27409019258446987,0.028639229662120486,0.015163456925502021,0.18349710437941197
EOS-3-44288,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)c(Cl)n4)n23)c1,WAHNEVQSRURORJ-UHFFFAOYSA-N,3,1,0.432,18,773,465.851,4.196,5,0.347,0.64,1.0,0.8868052223973683,0.8729182372695498,0.8017699266671235,0.8285329997943938,0.8475065965321089
EOS-3-44289,Cn1cnc(-c2cc(-c3nnc4cncc(COc5cc(F)cc(Cl)c5)n34)ccc2F)cc1=O,VHEAKGTUZRPHBA-UHFFFAOYSA-N,3,1,0.396,34,189,480.862,4.063,5,0.377,0.68,1.0,0.6436673291755192,0.7722740045233363,0.877218833527517,0.8894866698649853,0.7956617092728393
EOS-3-44290,Cc1cn(C)c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c(F)cn2)n1,LUOQVVVVMJKQFH-UHFFFAOYSA-N,3,1,0.396,46,915,450.865,3.662,5,0.403,0.52,1.0,0.6152936741827154,0.6082173942841478,0.4252535809745734,0.4390291960797752,0.5219484613803029
EOS-3-44291,Cc1ncc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC=CC5C)cn4)n23)cn1,KUPKRPCTVLELIU-UHFFFAOYSA-N,3,1,0.276,78,792,412.457,2.742,5,0.477,0.63,1.0,0.14580049345486945,0.035055856349804675,0.05734699472277431,0.0480090466726064,0.07155309780001372
EOS-3-44292,COc1nc(F)ncc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,CPWZSHXIBXEXMH-UHFFFAOYSA-N,3,1,0.283,63,108,406.381,1.683,5,0.497,0.82,0.993,0.3171646905626756,0.23830614762524843,0.03728325680213831,0.04027311356315537,0.15825680213830443
EOS-3-44293,Cc1cc(COc2cncc3nnc(-c4cnc(Cl)c(-c5cnc(C)nc5)c4)n23)sn1,YVEKWXXEXWGTTB-UHFFFAOYSA-N,3,1,0.518,2,36,450.915,3.949,5,0.371,0.64,1.0,0.527902474127887,0.5941505037351792,0.270063737920636,0.2518076211363169,0.4109810842300048
EOS-3-44294,Cc1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)cc(-c5ncccc5F)n4)n23)cn1,FPFVCRXMNRBLNO-UHFFFAOYSA-N,3,1,0.374,14,81,465.414,4.7,5,0.358,0.68,1.0,0.4391834007264752,0.6315451305599342,0.9536443698170105,0.9118720444109383,0.7340612363785896
EOS-3-44295,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc(F)n2)nc1,WBNATERMOZLAFN-UHFFFAOYSA-N,3,1,0.529,75,262,450.384,3.077,5,0.364,0.53,1.0,0.9071088342128709,0.8702881913508327,0.5993848947981633,0.5956497155780961,0.7431079089849908
EOS-3-44296,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)nn1C,JUKMUCJJIFGSQX-UHFFFAOYSA-N,3,1,0.394,31,569,451.441,2.703,5,0.375,0.53,0.943,0.30667020766225755,0.16036426564320472,0.28890240559248853,0.2670653142348023,0.2557505482831883
EOS-3-44297,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)cnn2)c1,OPJXNPRDSKSWCP-UHFFFAOYSA-N,3,1,0.551,87,778,420.433,2.86,5,0.413,0.57,0.997,0.612517990542115,0.5792868891782605,0.19900109656637655,0.24316359399629908,0.4084923925707628
EOS-3-44298,CCc1cccc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)n1,IQKQHOIHLVNJMC-UHFFFAOYSA-N,3,1,0.436,92,45,413.445,2.518,5,0.418,0.68,1.0,0.2937341511890892,0.24367760948529915,0.06721609211157563,0.03909087793845521,0.1609296826811048
EOS-3-44299,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1Cl,BUQULDDOSDTZHL-UHFFFAOYSA-N,3,1,0.728,23,721,486.334,4.751,5,0.408,0.84,1.0,0.7760091837434034,0.5738982934685766,0.735453361661298,0.8479370845041464,0.7333244808443561
EOS-3-44300,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cnn2)c(F)c1F,LPCGGRVSFVYLPA-UHFFFAOYSA-N,3,1,0.383,46,915,470.802,3.688,5,0.383,0.56,0.995,0.7929459941059557,0.8460352271948461,0.7928945925570557,0.8265026386128436,0.8145946131176753
EOS-3-44301,O=c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc(-c2cncc(F)c2)[nH]1,LBUPXIBOEKTBPO-UHFFFAOYSA-N,3,1,0.458,11,639,463.86,3.351,5,0.384,0.57,1.0,0.5279110410527037,0.44223322596120895,0.6382358988417518,0.6891834007264752,0.5743908916455349
EOS-3-44302,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)ncn2)n1C,LRMCPPKRZXCXJG-UHFFFAOYSA-N,3,1,0.358,6,843,477.492,2.721,6,0.352,0.61,0.999,0.31457747926804197,0.15279110410527036,0.11825783016928243,0.07991227468987733,0.16638467205811802
EOS-3-44303,Cc1cc(-c2nnc3cncc(OCc4ncn(-c5ccnc(F)c5F)n4)n23)ccn1,NDTFCXINZHMUSC-UHFFFAOYSA-N,3,1,0.447,51,975,421.371,2.328,5,0.398,0.62,1.0,0.2964927009800562,0.2638527174285518,0.3143547392228086,0.2905815228565554,0.291320420121993
EOS-3-44304,Cc1cc(-c2ncnc(Oc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)ccc1Cl,APNOQUWSSBLCPN-UHFFFAOYSA-N,3,1,0.422,43,704,465.851,5.335,5,0.346,0.81,1.0,0.9438266739771092,0.9060208347611541,0.9055753546706874,0.8797289424988006,0.9087879514769379
EOS-3-44305,Cn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)cn2)n1,AZWZSSJRFHCWCO-UHFFFAOYSA-N,3,1,0.55,92,408,410.401,1.827,5,0.425,0.73,1.0,0.6291720923857173,0.5138098828044685,0.23450243300664794,0.20512644781029402,0.3956527140017819
EOS-3-44306,Fc1cnc(-c2cc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)ccc2F)c(F)c1,HMQCJRQDWOAORE-UHFFFAOYSA-N,3,1,0.506,59,577,469.814,4.293,5,0.354,0.66,1.0,0.9116921389897882,0.9162754437667056,0.9114779658693716,0.915127475841272,0.9136432561167844
EOS-3-44307,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c(F)c2)nn1,BFZHYYBMNDOXJW-UHFFFAOYSA-N,3,1,0.477,34,89,469.814,4.293,5,0.354,0.66,1.0,0.9213727640326228,0.9235487629360565,0.9198906860393393,0.9236429991090398,0.9221138030292646
EOS-3-44308,CCn1cc(Cc2cncc3nnc(-c4ccc(-c5nnn(COCCF)n5)cn4)n23)c(C)n1,HRXKCIAIVMHKPW-UHFFFAOYSA-N,3,1,0.288,78,105,463.481,1.899,5,0.301,0.69,0.649,0.03383078610102118,0.03195462956617093,0.006279555890617504,0.004446233979850593,0.01912780138441505
EOS-3-44309,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)nn2C)n(C)n1,DDDPSIRYCOPJQY-UHFFFAOYSA-N,3,1,0.459,31,569,416.449,1.645,5,0.41,0.63,1.0,0.14326468370913578,0.006776437529984237,0.00977486121581797,0.005971146597217463,0.04144678226303886
EOS-3-44310,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3nccc(-c4cnccn4)n3)n12,CZWDFCISZZZARX-UHFFFAOYSA-N,3,1,0.406,51,540,451.372,3.089,5,0.359,0.55,1.0,0.6982900418065932,0.8288756767870605,0.537189020629155,0.4519395517784936,0.6290735727503255
EOS-3-44311,FC(F)(F)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)cc1,JTRCLVAEKFLOPI-UHFFFAOYSA-N,3,1,0.471,66,225,423.225,5.708,4,0.424,0.8,1.0,0.7676735658967857,0.9060294016859708,0.9994088821876499,0.9997943938043999,0.9182265608937016
EOS-3-44312,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4F)n23)ccn1,FWCMQDVGPAOHAX-UHFFFAOYSA-N,3,1,0.465,55,540,418.367,2.896,5,0.402,0.62,1.0,0.8119988348982249,0.7635357412103352,0.5928911657871291,0.5546912480296073,0.6807792474813241
EOS-3-44313,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cnoc5)n34)c2)cn1,HLFZDANDRLARLA-UHFFFAOYSA-N,3,1,0.578,35,4,417.404,3.305,5,0.414,0.62,1.0,0.6125265574669316,0.5691864848194093,0.5063223905147008,0.44560002741415944,0.5334088650538004
EOS-3-44314,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)nn2C)s1,ZOAIZPGFMSJGJD-UHFFFAOYSA-N,3,1,0.424,95,694,456.894,3.723,5,0.397,0.55,0.992,0.24811527654033308,0.2897333972997053,0.24501404975669933,0.2905900897813721,0.26836320334452746
EOS-3-44315,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)s1,AWEHGCFFMZZLJN-UHFFFAOYSA-N,3,1,0.314,76,259,471.937,4.426,6,0.351,0.67,0.893,0.132530326913851,0.2791960797752039,0.31436330614762525,0.3980792954561031,0.2810422520731958
EOS-3-44316,Cc1ccncc1-c1cc(F)cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)c1,SDUNIDNAZAOUMP-UHFFFAOYSA-N,3,1,0.518,59,439,447.42,5.158,5,0.373,0.7,1.0,0.911700705914605,0.8555787814406141,0.9708210540744294,0.9654410252895621,0.9258853916798027
EOS-3-44317,CCc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)cn1,KIZOMQFDASVDHK-UHFFFAOYSA-N,3,1,0.426,54,207,461.888,4.577,5,0.365,0.64,1.0,0.5837331231581112,0.6178980193269824,0.7503084092934,0.7513193064217668,0.6758147145500651
EOS-3-44318,Cc1nc(-c2cccnc2)ncc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)nc3)n12,CTZHAVFIIMZLPJ-UHFFFAOYSA-N,3,1,0.333,42,392,478.907,4.124,6,0.368,0.64,0.948,0.3145860461928586,0.29987663628264,0.2889109725173052,0.3341529024741279,0.3093816393667329
EOS-3-44319,Cn1nnc(-c2cnnc(COc3cncc4nnc(-c5ccc(CO)nc5)n34)c2)n1,PYEIGXVWHDEJIK-UHFFFAOYSA-N,3,1,0.452,92,185,417.393,0.238,5,0.404,0.64,1.0,0.2800270714824207,0.21789116578712905,0.02643752998423686,0.01811047906243575,0.1356165615790556
EOS-3-44320,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC(F)(F)F)cc5)n34)cn2)cn1,SRRNHXRLUOMMBB-UHFFFAOYSA-N,3,1,0.518,27,282,479.422,4.429,5,0.353,0.76,1.0,0.9399287231855253,0.8616612980604482,0.944477760263176,0.8565297100952642,0.9006493729011034
EOS-3-44321,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5nccs5)n4)n23)ccc1Cl,IWEWPSFMKAXCBK-UHFFFAOYSA-N,3,1,0.534,4,67,468.901,4.69,5,0.357,0.77,1.0,0.787343225275855,0.8891182920978685,0.6320163114248509,0.6014923583030636,0.7274925467754095
EOS-3-44322,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cc(-c4cccnn4)on3)n12,KNRSHHMXNZXQFP-UHFFFAOYSA-N,3,1,0.387,46,564,424.783,3.003,5,0.419,0.55,1.0,0.5698975395791926,0.43806113357549176,0.4821036940579809,0.5416352546090055,0.5079244054554177
EOS-3-44323,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccsc4F)n23)ccn1,BMRWXEKJUBCAMJ-UHFFFAOYSA-N,3,1,0.56,75,583,436.447,4.21,5,0.397,0.58,0.994,0.7929545610307724,0.7001147967925434,0.6528767733534371,0.6516945377287369,0.6994101672263724
EOS-3-44324,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnc(C)s5)nc4)n23)s1,MKRNCVDCQRDGCJ-UHFFFAOYSA-N,3,1,0.489,87,579,435.538,4.005,5,0.398,0.58,1.0,0.4696645192241793,0.4863357549174148,0.0479833458981564,0.03664073744088822,0.26015608937015966
EOS-3-44325,COC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(F)cn5)n4)n23)cn1,ICDOJTQFFYBKDO-UHFFFAOYSA-N,3,1,0.462,73,930,476.403,2.682,5,0.337,0.64,1.0,0.5751062298677266,0.5092522788020012,0.2271948461380303,0.16628401069152218,0.36945934137482006
EOS-3-44326,Cc1cncc(COc2cncc3nnc(-c4cc(-c5cc(C(F)F)nn5C)ccn4)n23)c1F,WQOCRYQSZOECID-UHFFFAOYSA-N,3,1,0.409,46,62,466.427,3.946,5,0.374,0.6,1.0,0.4462425467754095,0.3776643136179837,0.7802583784524707,0.6488417517647865,0.5632517476526626
EOS-3-44327,NC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)c(F)c(F)c(F)c4Cl)n23)cc1,VCDYFDUHJMBGGH-UHFFFAOYSA-N,3,1,0.615,23,627,451.767,3.679,4,0.284,0.69,1.0,0.952830511959427,0.8016157220204235,0.9730056199026798,0.957319580563361,0.9211928586114728
EOS-3-44328,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cc1,ROMLGMKBNVMQAG-UHFFFAOYSA-N,3,1,0.365,32,20,451.49,5.178,6,0.367,0.7,0.991,0.2070454389692276,0.4468165307381262,0.6616236035912549,0.7089472962785278,0.5061082173942841
EOS-3-44329,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cs2)c1,JJHSFJISQZXMIB-UHFFFAOYSA-N,3,1,0.468,58,954,452.902,4.724,5,0.347,0.74,1.0,0.6587365499280379,0.6082259612089644,0.6114214241655815,0.6806336097594408,0.6397543862655062
EOS-3-44330,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5csc(Cl)c5)n34)ncn2)cc1,ZGLZIMYDOKISLZ-UHFFFAOYSA-N,3,1,0.506,44,130,452.902,4.724,5,0.371,0.67,1.0,0.837502570077445,0.8288842437118772,0.7069255020217943,0.7667140703173189,0.7850065965321089
EOS-3-44332,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccc4)n23)cc1,HUIWOOOFUYAJSK-UHFFFAOYSA-N,3,1,0.494,77,755,466.53,4.289,6,0.361,0.68,1.0,0.5046775409499006,0.33403296552669454,0.23798917140703174,0.24581077376464944,0.3306276129120691
EOS-3-44334,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccnc(-c4ccns4)c3)n12,HIXPCUFJBYPKMX-UHFFFAOYSA-N,3,1,0.53,75,496,439.863,4.076,5,0.407,0.57,1.0,0.5328113220478377,0.6032485778904805,0.5637293537111918,0.6168014529504489,0.5791476766499897
EOS-3-44335,Cc1nc(-c2nnc3cncc(OCc4cc(Cl)ncc4C#N)n23)ccc1-c1cnnn1C,ALRJVNOGODSECX-UHFFFAOYSA-N,3,1,0.392,31,760,458.873,2.789,5,0.364,0.57,0.451,0.3900949215269687,0.4380697005003084,0.3513981221300802,0.34059522993626207,0.3800394935234048
EOS-3-44336,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)nn1C,MWNLFEITQVSSLG-UHFFFAOYSA-N,3,1,0.473,95,864,466.908,3.822,5,0.362,0.6,1.0,0.32699952025221024,0.26386128435336853,0.4137996024946885,0.4487098211226098,0.3633425570557193
EOS-3-44337,COc1cc(-c2nnc3cncc(Oc4ccc(-c5nccnn5)nn4)n23)ccc1-c1ccccc1,DUBYKOGZJUOIFA-UHFFFAOYSA-N,3,1,0.391,77,622,475.472,3.901,6,0.35,0.64,0.992,0.5251953258858201,0.2585754917414845,0.32900418065931053,0.2846789116578713,0.3493634774861216
EOS-3-44338,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cnn2)c(F)cn1,PDXNESHEZLRTFP-UHFFFAOYSA-N,3,1,0.44,55,875,452.812,3.549,5,0.373,0.56,0.956,0.8299122746898773,0.9122147214036049,0.7887739017202385,0.8036974847508739,0.8336495956411486
EOS-3-44339,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)nc(C)n4)n23)cc1F,LYZJUFGJZBNERV-UHFFFAOYSA-N,3,1,0.446,89,788,485.483,2.815,5,0.369,0.73,0.998,0.43694743334932495,0.3293639915016106,0.17594750188472347,0.10910835446508121,0.26284182030018505
EOS-3-44340,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cn(Cc5cccs5)nn4)n23)cc1,CPHMGBZLXHMZKC-UHFFFAOYSA-N,3,1,0.495,63,536,486.561,3.006,6,0.341,0.84,1.0,0.19314988691659243,0.12369782742786649,0.025383798231786717,0.03775443766705503,0.09499648756082517
EOS-3-44341,Fc1cc(-c2nnc3cncc(OCCc4cnc(F)c(Cl)c4)n23)ccc1-c1ccccn1,CNBYJOGOWMMKDI-UHFFFAOYSA-N,3,1,0.557,11,595,464.863,4.801,5,0.336,0.72,1.0,0.9769292714687136,0.972740045233363,0.8941299431156192,0.902645466383387,0.9366111815502708
EOS-3-44342,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cc1,COEZWNHLSOQDNM-UHFFFAOYSA-N,3,1,0.367,62,366,459.553,5.67,6,0.347,0.87,1.0,0.13253889383866768,0.016474196422452198,0.10452504968816394,0.30613905832362415,0.139919299568227
EOS-3-44343,Clc1nccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)n1,MQODBRWSZCRUJF-UHFFFAOYSA-N,3,1,0.524,24,486,456.318,4.591,5,0.357,0.7,1.0,0.6068552532382976,0.6752021794256734,0.5637379206360085,0.619945514358166,0.6164352169145364
EOS-3-44344,c1cc(-c2cncs2)cc(-c2nnc3cncc(OCc4cccc(-c5cc[nH]n5)n4)n23)c1,PHLLMCCQIGNLFG-UHFFFAOYSA-N,3,1,0.484,28,667,452.503,4.279,6,0.402,0.58,0.999,0.3042115002398739,0.37767288054280035,0.3962888081694195,0.35988794462339796,0.35951528339387295
EOS-3-44345,Clc1cncc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)c1,SVIZHMLGIAQNGL-UHFFFAOYSA-N,3,1,0.494,97,91,449.301,5.134,5,0.346,0.72,1.0,0.7845332739359879,0.7765231992324035,0.8941385100404359,0.9204304023027894,0.8439063463779042
EOS-3-44346,OCc1cncc(COc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)n1,NMYQWFZQCUEOSP-UHFFFAOYSA-N,3,1,0.413,7,131,413.401,1.505,5,0.436,0.65,1.0,0.3739976697964499,0.2740987595092865,0.12378349667603317,0.09452744842711261,0.21660184360222054
EOS-3-44347,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)s1,AMTGBAJKJDHSLR-UHFFFAOYSA-N,3,1,0.368,22,542,445.405,4.473,5,0.383,0.6,1.0,0.26132547460763483,0.4509971900486601,0.9419248166678089,0.9050099376327874,0.6398143547392228
EOS-3-44348,Cc1ncncc1-c1ccnc(COc2cncc3nnc(-c4ccc(F)nc4)n23)c1,UVWBQVSFWOWPOA-UHFFFAOYSA-N,3,1,0.478,55,390,414.404,3.065,5,0.404,0.69,1.0,0.5751147967925434,0.6266362826399835,0.5133729696388184,0.42981118497704063,0.5362338085120966
EOS-3-44349,Clc1cc(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)ccn1,XQGSLNAZHQZURE-UHFFFAOYSA-N,3,1,0.551,2,419,435.9,3.98,5,0.372,0.59,1.0,0.6180265231992325,0.7050579124117606,0.5170653142348023,0.5380714138852717,0.5945552909327668
EOS-3-44350,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(F)nc5)n34)ncn2)cn1,LZQQQXXJLZSMPZ-UHFFFAOYSA-N,3,1,0.446,7,354,415.392,2.46,5,0.399,0.65,1.0,0.5252038928106367,0.6082345281337811,0.28519292714687133,0.23422829141251456,0.413214909875951
EOS-3-44351,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccc6C)cn5)n34)n2)s1,CRHVARCRKTYYDE-UHFFFAOYSA-N,3,1,0.312,76,368,463.53,4.446,6,0.377,0.6,0.973,0.04989377013227332,0.09169179631279556,0.10697519018573093,0.11628743746144884,0.09121204852306217
EOS-3-44352,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nn5)ccn4)n23)nc1,NZFNYXJVTJTUJX-UHFFFAOYSA-N,3,1,0.435,46,348,414.404,3.065,5,0.432,0.6,1.0,0.47973065588376396,0.48634432184223153,0.39246795970118564,0.3374426016037283,0.4239963847577274
EOS-3-44353,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3nc(Cl)ncc3F)n12,PVWHYDWPYVZGCB-UHFFFAOYSA-N,3,1,0.402,7,456,467.852,2.757,5,0.347,0.6,0.963,0.5509046672606401,0.5183417860324858,0.22720341306284697,0.17694126516345693,0.3683477828798574
EOS-3-44354,COc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cc(F)ncc5F)c4)n23)n1,IHGAGZKCVNCOQA-UHFFFAOYSA-N,3,1,0.427,87,307,461.432,3.552,5,0.339,0.63,1.0,0.7290110341991639,0.6130320060311151,0.6528853402782537,0.5512987458022068,0.6365567815776849
EOS-3-44355,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cs5)n34)ncn2)cn1,DFJGONBRQFIPHZ-UHFFFAOYSA-N,3,1,0.418,18,194,453.89,4.119,5,0.357,0.62,0.976,0.7873517922006716,0.7552343910629841,0.5336251799054211,0.5895586320334453,0.6664424988006306
EOS-3-44356,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1F,WBLAGYUWGBQEPI-UHFFFAOYSA-N,3,1,0.5,37,639,463.904,4.309,5,0.349,0.69,1.0,0.6408231101363855,0.7327462134192311,0.620536632170516,0.6108645740524982,0.6512426324446577
EOS-3-44357,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ncn4)n23)cn1,WOWPCMLMOVAJII-UHFFFAOYSA-N,3,1,0.441,7,354,415.392,2.46,5,0.399,0.63,1.0,0.49205846069494896,0.5050116510177507,0.32543177301076004,0.25490884791995067,0.3943526831608526
EOS-3-44358,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncn5)n34)ccn2)cn1,CZKRZJCMVKITDP-UHFFFAOYSA-N,3,1,0.506,7,99,415.392,2.46,5,0.399,0.63,1.0,0.5121564663148516,0.5050202179425674,0.28891953944212184,0.22516448495648003,0.38281517716400515
EOS-3-44359,CCc1csc(-c2ncccc2-c2cncc3nnc(-c4cnc(-c5ccccn5)nc4)n23)n1,NIGZWZVQFNNAHC-UHFFFAOYSA-N,3,1,0.277,32,935,463.53,4.391,6,0.37,0.65,0.995,0.10562161606469742,0.15667192104722089,0.07372695497224316,0.08329620999246111,0.10482917551915563
EOS-3-44360,CCc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nc(C)nn1C,YLSPRGJVCLQBMN-UHFFFAOYSA-N,3,1,0.433,31,690,459.489,3.008,5,0.365,0.55,0.912,0.4138338701939552,0.3340415324515112,0.059171749708724554,0.05607052292509081,0.21577941881982043
EOS-3-44361,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1ccccc1F,ZGANJJZXXSQBCI-UHFFFAOYSA-N,3,1,0.506,95,998,467.867,4.14,5,0.373,0.6,0.998,0.5482831882667397,0.49093619354396545,0.7479011034199163,0.8014872181481736,0.6471519258446987
EOS-3-44362,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)cs4)n23)cn1,OBLATPJDYGMMRS-UHFFFAOYSA-N,3,1,0.512,4,205,418.457,4.336,5,0.395,0.73,1.0,0.6833921595504078,0.7806438900692207,0.6804622712631074,0.6108731409773148,0.6888428654650127
EOS-3-44363,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)ccn2)cc1,HPSYFHQQVAHPGU-UHFFFAOYSA-N,3,1,0.795,57,485,463.875,5.406,5,0.337,0.81,1.0,0.992366869988349,0.9843225275854979,0.9573538482626276,0.9645072304845452,0.974637619080255
EOS-3-44364,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncn(C)n5)nc4)n23)n1,QKWRBKJBRGRDPN-UHFFFAOYSA-N,3,1,0.462,31,986,414.433,1.702,5,0.408,0.68,1.0,0.4509714892742101,0.309959906791858,0.027568364060037008,0.014615173737235282,0.2007787334658351
EOS-3-44365,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)ccn2)nc1,VZYGPHGYGIGIQX-UHFFFAOYSA-N,3,1,0.473,75,263,467.827,2.986,5,0.347,0.57,1.0,0.8812881228154342,0.8173017613597423,0.29615859091220614,0.3695942704406826,0.5910856863820163
EOS-3-44366,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)ccn2)n1,IOGBZNWOQKHZTJ-UHFFFAOYSA-N,3,1,0.446,55,486,433.382,2.599,5,0.386,0.52,1.0,0.7258669727914467,0.5792954561030772,0.41380816941950516,0.3855887190734014,0.5261398293468577
EOS-3-44367,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4Cl)n23)n1,NBGNTOAQDDJPIS-UHFFFAOYSA-N,3,1,0.506,4,712,456.318,4.591,5,0.357,0.73,1.0,0.5867058460694949,0.7050664793365773,0.5961037625933795,0.695043177301076,0.6457298163251319
EOS-3-44368,Clc1cccc(COc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)n1,KVVBUEVYJADXCX-UHFFFAOYSA-N,3,1,0.554,24,747,415.844,3.876,5,0.402,0.69,1.0,0.5279196079775204,0.6179065862517991,0.410304297169488,0.46435302583784527,0.5051208793091632
EOS-3-44369,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,PUWFUVHCTSGIOX-UHFFFAOYSA-N,3,1,0.524,97,666,422.42,4.167,5,0.396,0.64,1.0,0.8941899115893359,0.7806524569940374,0.7929031594818724,0.7716057843876362,0.8098378281132205
EOS-3-44370,COc1ccc(-c2nc(C)ncc2-c2nnc3cncc(-c4ccccc4F)n23)nc1,JSCJALMOBKHVJD-UHFFFAOYSA-N,3,1,0.356,96,478,413.416,3.766,5,0.443,0.66,0.99,0.45564903022411074,0.5320145980398876,0.47178054965389626,0.442336029059009,0.4754450517442259
EOS-3-44371,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccccn5)n34)cnn2)cc1,ODZMVUKZZVGGDY-UHFFFAOYSA-N,3,1,0.638,4,850,415.844,3.876,5,0.43,0.61,1.0,0.46967308614899594,0.7001233637173601,0.5961123295181961,0.657083133438421,0.6057479782057432
EOS-3-44372,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)c5F)c4)n23)cc1,ARYKMCNWUPJBGP-UHFFFAOYSA-N,3,1,0.321,3,150,470.899,4.837,6,0.368,0.7,1.0,0.054708381879240625,0.24368617641011583,0.7950448906860393,0.8187067370296758,0.4780365465012679
EOS-3-44373,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccc5C)n34)cc2)n1,OWTMROIGDOPDNF-UHFFFAOYSA-N,3,1,0.337,9,553,462.542,5.051,6,0.362,0.71,1.0,0.07328147488177644,0.13396100335823452,0.2889281063669385,0.2996538962374066,0.19895612021108902
EOS-3-44374,COc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cnc(F)c(C)c5)cnn4)n23)c1,QNHMXHAKKHMULG-UHFFFAOYSA-N,3,1,0.431,87,207,458.457,3.116,5,0.339,0.57,0.994,0.522590980741553,0.4555547940511274,0.41381673634432187,0.29059865670618873,0.4206402919607977
EOS-3-44375,COc1cc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3cncnc3F)n12,JPNXEIDODAVVCE-UHFFFAOYSA-N,3,1,0.5,65,361,458.457,3.116,5,0.339,0.57,0.993,0.722868549105613,0.5645689123432253,0.39247652662600235,0.2639298197519019,0.48596095195668565
EOS-3-44376,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccnc(Cl)c5)n4)n23)nc1,DMIKPLMQVGAQOJ-UHFFFAOYSA-N,3,1,0.354,85,81,448.317,4.849,5,0.366,0.66,1.0,0.3014700842985402,0.29988520320745665,0.6260794325269001,0.7248903433623467,0.48808126584881095
EOS-3-44377,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5nc[nH]c5F)c4)n23)cn1,UWHSAQOYZRDBNT-UHFFFAOYSA-N,3,1,0.473,2,76,420.383,2.871,5,0.421,0.59,1.0,0.6982986087314098,0.5230878623809198,0.5993934617229799,0.5740524981152766,0.5987081077376465
EOS-3-44378,Fc1ccc(-n2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)n2)cc1,ZLMFFGYLVGBLFX-UHFFFAOYSA-N,3,1,0.385,83,950,450.452,5.589,6,0.351,0.81,1.0,0.04832602289082311,0.29491638681378934,0.9246110616133233,0.9467308614899596,0.5536460832019738
EOS-3-44379,c1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cnccn5)s4)n23)nc1,WSYOEVBAVPPVGA-UHFFFAOYSA-N,3,1,0.304,76,368,440.517,4.495,6,0.398,0.59,1.0,0.018238982934685764,0.0319631964909876,0.12945480090466727,0.18537968610787472,0.09125916660955383
EOS-3-44380,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)c2)s1,HSGDDMJARHNJNN-UHFFFAOYSA-N,3,1,0.506,15,628,452.931,3.627,5,0.388,0.56,1.0,0.4556575971489274,0.6082430950585977,0.08504386265506134,0.11852340483859913,0.3168669899252964
EOS-3-44381,Cc1c(F)ccc(F)c1Oc1cncc2nnc(-c3ccc(-c4ncns4)cn3)n12,ZZXLUSWGNZUGOC-UHFFFAOYSA-N,3,1,0.381,13,971,423.408,4.084,5,0.43,0.62,1.0,0.6094852991570145,0.5739068603933932,0.6085600712768144,0.5805462271263108,0.5931246144883833
EOS-3-44382,CC#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(C(F)F)n5)n34)c2)cn1,UEZXDPLEARXLEY-UHFFFAOYSA-N,3,1,0.402,27,160,470.443,3.926,5,0.344,0.65,0.97,0.4462511137002262,0.4776231923788637,0.6260879994517168,0.47371667466246314,0.5059197450483175
EOS-3-44383,Clc1ccc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)cc1,WGTRROGYECNORI-UHFFFAOYSA-N,3,1,0.582,1,461,419.897,5.147,5,0.394,0.82,1.0,0.8015900212459736,0.92539065177164,0.6145483517236653,0.7005517099581934,0.7605201836748681
EOS-3-44384,COc1ncc(-c2nnc3cncc(-c4ccc(-c5cn(C)nn5)s4)n23)c(OC)n1,ODAFMYGTZNDUND-UHFFFAOYSA-N,3,1,0.287,50,974,421.446,2.122,5,0.42,0.6,1.0,0.10035295730244671,0.021931327530669592,0.020440682612569393,0.0059797135220341305,0.03717617024192996
EOS-3-44385,Cc1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(-c5ccnc(Cl)c5)n4)n23)cc1,IEDOKZMVOOJMAQ-UHFFFAOYSA-N,3,1,0.5,97,744,464.316,4.838,5,0.344,0.74,1.0,0.7985230621616065,0.7890908779384552,0.6557809608662875,0.7059574395175108,0.737338085120965
EOS-3-44386,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)c1,SHYDMJIPSYHGOZ-UHFFFAOYSA-N,3,1,0.458,15,931,465.88,3.274,5,0.337,0.6,1.0,0.5252124597354534,0.5366578712905216,0.12946336782948392,0.17430265231992323,0.3414090877938455
EOS-3-44387,Cc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)c(Cl)c4)n23)nn1,CRBCOUVNQMTYAE-UHFFFAOYSA-N,3,1,0.425,1,417,414.856,5.002,5,0.411,0.82,1.0,0.7407819888972654,0.7850558563498047,0.7144986635597286,0.7488862997738331,0.7473057021451579
EOS-3-44388,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(C)cn4)n23)ccn1,NJLBIIMOLHIIJR-UHFFFAOYSA-N,3,1,0.484,7,624,412.457,3.352,5,0.422,0.71,1.0,0.21509834829689534,0.11673291755191556,0.2487235282023165,0.15842814063463778,0.18474573367144131
EOS-3-44389,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ncn2)cn1,DNFWKYCSCCTNDJ-UHFFFAOYSA-N,3,1,0.453,18,296,411.429,2.363,5,0.415,0.72,1.0,0.5303354807758207,0.21290521554382838,0.1444811870331026,0.10911692138989788,0.24920970118566238
EOS-3-44390,Fc1cc(Cl)ccc1Cc1cncc2nnc(-c3ccc(Cl)c(-c4cnccn4)c3)n12,GOLDIKAOMXHFKP-UHFFFAOYSA-N,3,1,0.367,45,358,451.292,5.285,5,0.372,0.69,1.0,0.477409019258447,0.6609296826811047,0.9439294770749092,0.9690134329381125,0.7628204029881434
EOS-3-44391,Cc1ccnc(-c2ncsc2-c2nnc3cncc(OCCc4ccccn4)n23)c1,ULLACQODIQNDFW-UHFFFAOYSA-N,3,1,0.565,75,796,415.482,3.635,5,0.418,0.7,0.985,0.4369560002741416,0.2690271400178192,0.09932492632444657,0.10264889315331369,0.22698923994243025
EOS-3-44392,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)c(F)n4)n23)n1,MASSCSXRJATIDI-UHFFFAOYSA-N,3,1,0.372,53,237,422.359,1.629,5,0.389,0.54,0.994,0.3645997532725653,0.33405009937632785,0.13236755534233433,0.14073744088821877,0.24293871221986157
EOS-3-44393,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)cc2)cs1,XBDCEUUITFZTGA-UHFFFAOYSA-N,3,1,0.333,69,299,447.527,5.347,6,0.362,0.76,1.0,0.056593105338907546,0.1339695702830512,0.5705914604893427,0.5479919128229731,0.32728651223356864
EOS-3-44394,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c(F)c2)cn1,MAXLYZFHAZCDAD-UHFFFAOYSA-N,3,1,0.455,13,145,450.836,5.281,5,0.37,0.72,1.0,0.8513981221300801,0.8989445548625865,0.92461962853814,0.9256647933657735,0.900156774724145
EOS-3-44395,OCc1cc(-c2ncccc2F)cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)n1,BQPOEUOHEYWGOL-UHFFFAOYSA-N,3,1,0.447,46,122,468.901,4.174,5,0.399,0.65,1.0,0.5611421424165581,0.5941590706599958,0.6290864231375506,0.6631742169830718,0.6118904632992941
EOS-3-44396,COc1cc(-c2nnc3cncc(OCc4nccnc4-c4ccccc4OC)n23)ccc1Cl,NIVAIOZLUUYMFJ-UHFFFAOYSA-N,3,1,0.473,1,67,474.908,4.498,5,0.34,0.77,1.0,0.7528613528887671,0.7635443081351518,0.6175553423343156,0.5048917140703173,0.659713179357138
EOS-3-44397,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)nn5)n34)nc2)s1,RLUUWSWULALBJW-UHFFFAOYSA-N,3,1,0.313,99,502,469.494,2.996,6,0.371,0.62,0.851,0.25573127270235074,0.15668048797203757,0.02983003221163731,0.018641628401069154,0.1152208553217737
EOS-3-44398,Fc1ccncc1CCOc1cncc2nnc(-c3cc(Cl)nc(-c4ncccn4)c3)n12,QMOBPLJGJXXNAM-UHFFFAOYSA-N,3,1,0.517,75,262,448.849,3.452,5,0.364,0.54,1.0,0.8690631211020492,0.8586543074497979,0.47847988486053045,0.5247070111712699,0.6827260811459118
EOS-3-44399,Cn1ccnc1-c1cnnc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,JNINNEMZRZILOC-UHFFFAOYSA-N,3,1,0.421,65,466,417.408,2.137,5,0.413,0.59,1.0,0.527928174902337,0.4014974984579535,0.1990096634911932,0.20208518950037693,0.33263013158796517
EOS-3-44400,Fc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5n[nH]c(C(F)(F)F)n5)c4)n23)c1,KIQSLFSIZFBIIK-UHFFFAOYSA-N,3,1,0.584,27,159,470.39,3.751,5,0.377,0.62,1.0,0.7873603591254883,0.7593293811253512,0.8576691110958811,0.7667226372421355,0.792770372147214
EOS-3-44401,c1ccc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6ccncc6)n5)n34)cc2)nc1,AAYLWPUPJYVMPY-UHFFFAOYSA-N,3,1,0.566,28,120,463.526,4.951,6,0.345,0.79,1.0,0.40484716606127064,0.4598639572339113,0.4470821054074429,0.4203447330546227,0.43303449043931186
EOS-3-44402,c1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6c[nH]nn6)n5)n34)cn2)c1,AGUIKIAUTLJAMD-UHFFFAOYSA-N,3,1,0.309,76,368,418.424,3.095,6,0.463,0.54,0.959,0.06934068946610925,0.10425090809403056,0.2779110410527037,0.3061476252484408,0.18941256596532108
EOS-3-44403,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)cnn1,KJTVDVRMGJFUPT-UHFFFAOYSA-N,3,1,0.462,65,658,411.429,2.363,5,0.415,0.68,1.0,0.5171681173326023,0.46866218902062917,0.1385700089096018,0.10912548831471455,0.30838145089438695
EOS-3-44404,FCc1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)ncn2)ccn1,LCYXGMZXDJQPNT-UHFFFAOYSA-N,3,1,0.402,44,488,465.851,4.484,5,0.365,0.63,0.679,0.6983071756562265,0.6901257624563086,0.8337759577821945,0.8406637653347955,0.7657181653073812
EOS-3-44405,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nn2)n1,VGZZLXYZZPIIDZ-UHFFFAOYSA-N,3,1,0.407,12,285,460.501,4.75,6,0.366,0.69,0.998,0.43214138852717426,0.3048454526763073,0.33990987595092864,0.33416146939894453,0.35276454663833867
EOS-3-44406,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,WGIDUJYJGLCDAY-UHFFFAOYSA-N,3,1,0.471,59,109,456.865,4.82,5,0.353,0.77,1.0,0.7730792954561031,0.759337948050168,0.8799088479199506,0.8894952367898019,0.8254553320540059
EOS-3-44407,CCCn1c(-c2cncc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,BMZHYVUAORQPRL-UHFFFAOYSA-N,3,1,0.291,8,723,478.495,4.118,6,0.351,0.81,0.795,0.15161743540538689,0.2232797614968131,0.11231238434651497,0.20799636762387774,0.1738014872181482
EOS-3-44408,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2F)cc1=O,RGQGERHGWYWHAO-UHFFFAOYSA-N,3,1,0.505,37,490,477.887,3.361,5,0.369,0.62,1.0,0.7012284970187102,0.6222328832842163,0.5994020286477966,0.6254026454663834,0.6370665136042766
EOS-3-44409,COc1nc(-c2nnc3cncc(OCCc4cncnc4)n23)ncc1-c1cc(F)cc(Cl)c1,VJJJMCVLMDOKPK-UHFFFAOYSA-N,3,1,0.489,65,361,478.875,3.461,5,0.347,0.65,1.0,0.7258755397162634,0.6032571448152971,0.39997258584058665,0.42341169213898977,0.5381292406277842
EOS-3-44410,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccnc(Cl)c5)s4)n23)cn1,VRJBAJWILAPFNK-UHFFFAOYSA-N,3,1,0.297,99,719,473.913,3.216,6,0.354,0.63,0.81,0.07329004180659311,0.19407511479679254,0.06512576245630869,0.1162960043862655,0.11219673086148996
EOS-3-44411,CCc1n[nH]c(-c2cc(-c3cncc(-c4nnc5cncc(CC)n45)c3)cc(C(F)(F)F)c2)n1,VJZXDKGSROTVFR-UHFFFAOYSA-N,3,1,0.333,85,455,464.455,4.782,5,0.402,0.67,1.0,0.26403262284970186,0.2998937701322733,0.8500788157083133,0.7513278733465835,0.541333270509218
EOS-3-44412,c1coc(-c2ccc(-c3nnc4cncc(-c5csc(-c6cncs6)n5)n34)nc2)c1,PYUNHBRSTAAIAL-UHFFFAOYSA-N,3,1,0.295,70,687,429.49,4.693,6,0.401,0.64,1.0,0.06533136865190871,0.12370639435268316,0.19901823041600986,0.24581934068946612,0.15846883352751695
EOS-3-44413,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)cc2)s1,GFWRRDVPORCPOA-UHFFFAOYSA-N,3,1,0.568,43,178,454.437,4.615,5,0.361,0.68,1.0,0.8868137893221849,0.8729268041943664,0.85008738263313,0.830589061750394,0.8601042594750188
EOS-3-44414,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)cc(Cl)n2)s1,IQASCNDAFUXAQV-UHFFFAOYSA-N,3,1,0.494,53,241,442.917,3.702,5,0.379,0.56,0.957,0.47741758618326363,0.5508018641628402,0.0694606264135426,0.10688952093756425,0.30114239942430265
EOS-3-44415,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,VJUNSQUTTCOVKJ-UHFFFAOYSA-N,3,1,0.456,18,207,414.404,2.799,5,0.391,0.67,1.0,0.662086217531355,0.5845212802412446,0.4435696662326091,0.44234459598382564,0.5331304399972586
EOS-3-44416,Cc1ncc(-c2cc(F)nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)n1C,MVSDCBRHPAAABG-UHFFFAOYSA-N,3,1,0.511,4,391,467.867,4.406,5,0.356,0.66,1.0,0.7985316290864232,0.8865396477280515,0.8137978891097252,0.7879514769378384,0.8217051607155095
EOS-3-44417,OCc1cccc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)n1,SVAXCTNRZXSICV-UHFFFAOYSA-N,3,1,0.506,97,666,416.466,3.381,5,0.453,0.63,1.0,0.3831642793502844,0.3390960180933452,0.3962973750942362,0.35658111164416423,0.3687846960455075
EOS-3-44418,FC(F)c1ncc(COc2cncc3nnc(-c4cncnc4-c4ccc(Cl)cc4)n23)o1,NDHCUDTYDPWRCF-UHFFFAOYSA-N,3,1,0.506,27,817,455.812,4.406,5,0.371,0.63,1.0,0.8668785552737989,0.8525546569803304,0.7199643615927627,0.7059660064423274,0.786340895072305
EOS-3-44419,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5nn(C)cc5Cl)n34)c2)nc1,CQURGFZHFFSVOV-UHFFFAOYSA-N,3,1,0.464,87,349,446.902,3.565,5,0.393,0.57,1.0,0.40942190391337124,0.4422417928860256,0.2665255979713522,0.28468747858268795,0.3507191933383593
EOS-3-44420,Cc1nc(-c2ccnc(F)c2)c(-c2cncc3nnc(-c4ccc(-c5cncn5C)nc4)n23)n1C,CEYFSQCGMYLHGN-UHFFFAOYSA-N,3,1,0.301,86,968,466.484,3.497,6,0.366,0.6,0.987,0.18473716674662463,0.23831471455006512,0.24159584675484888,0.22858268795833048,0.22330760400246727
EOS-3-44421,Cc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)c2)n(C)n1,SWMOVUCFSCASDR-UHFFFAOYSA-N,3,1,0.505,4,677,461.913,3.62,5,0.412,0.59,1.0,0.5020988965800837,0.6266448495648003,0.6349719004866013,0.5611421424165581,0.5812144472620109
EOS-3-44422,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)cnc5Cl)n34)c2)cn1,YAVWTUXCXNYICZ-UHFFFAOYSA-N,3,1,0.385,46,720,448.849,3.718,5,0.375,0.55,1.0,0.6863306147625249,0.6365139469536015,0.5740524981152766,0.5611507093413748,0.6145119422931944
EOS-3-44423,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnc(-c5ccsc5)s4)n23)cc1,ZOCLNIHFJMHNAG-UHFFFAOYSA-N,3,1,0.31,10,356,459.495,4.029,6,0.389,0.55,0.757,0.10784044959221438,0.2178997327119457,0.11537077650606538,0.24878349667603317,0.17247361387156465
EOS-3-44424,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cn2)cnn1,RAOOBYPOMLZJLT-UHFFFAOYSA-N,3,1,0.398,92,662,413.445,2.573,5,0.432,0.67,1.0,0.25333253375368375,0.1853539853334247,0.1264649441436502,0.07247618394900966,0.15940691179494207
EOS-3-44425,Cc1ccc(-c2nnc3cncc(-c4ccccc4OCc4cccc(C#N)c4)n23)cc1,ZZEGMKRRJRARKH-UHFFFAOYSA-N,3,1,0.409,79,824,417.472,5.217,5,0.392,0.88,1.0,0.48463093687889797,0.3964001781920362,0.9189226235350558,0.8907631416626688,0.6726792200671647
EOS-3-44426,Fc1ccc(-c2ncc(Cl)cc2-c2nnc3cncc(OCc4cnc(Cl)nc4)n23)nc1,CLUKENHREYBAPA-UHFFFAOYSA-N,3,1,0.488,73,915,469.267,4.063,5,0.355,0.64,0.803,0.8830786101021177,0.8616698649852649,0.6320248783496676,0.7117572476183949,0.7721326502638612
EOS-3-44427,FCc1cncc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)s5)n34)c2)c1,ZKWDIVLIBFKBDQ-UHFFFAOYSA-N,3,1,0.448,2,419,453.89,4.407,5,0.376,0.66,1.0,0.6040710026728805,0.6130405729559317,0.6114299910903982,0.6139743677609485,0.6106289836200397
EOS-3-44428,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)c1,FDPWSJYVVPGJDY-UHFFFAOYSA-N,3,1,0.558,43,521,414.444,4.393,5,0.412,0.74,1.0,0.6526111986841203,0.5412497429922555,0.7454680967719828,0.7031988897265438,0.6606319820437256
EOS-3-44429,FCc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)c1,PRFCUZNCWQBZLH-UHFFFAOYSA-N,3,1,0.412,18,194,462.876,3.783,5,0.336,0.61,0.967,0.719801590021246,0.6082516619834144,0.5604053868823248,0.5580152148584744,0.6116184634363648
EOS-3-44430,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc2F)n1,YDIXXIXAZDEMKZ-UHFFFAOYSA-N,3,1,0.423,31,773,463.864,3.156,5,0.35,0.57,0.998,0.8015985881707902,0.7765317661572202,0.2628332533753684,0.3183726269618258,0.5398340586663011
EOS-3-44431,Fc1c(CCOc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)ccnc1Cl,BCQYWOKLHHXMII-UHFFFAOYSA-N,3,1,0.5,2,76,453.89,4.119,5,0.357,0.65,0.999,0.6863391816873415,0.737466588993215,0.5706000274141594,0.5956582825029128,0.6475160201494071
EOS-3-44433,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)nn1C,FRJHZMMZMKEDFW-UHFFFAOYSA-N,3,1,0.408,31,569,449.906,3.078,5,0.352,0.58,1.0,0.25334110067850046,0.16830580494825578,0.159918785552738,0.16351689397573846,0.18627064628880816
EOS-3-44434,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncc(F)c5)n4)n23)cc1,LQWZEAGUGLEHSP-UHFFFAOYSA-N,3,1,0.425,89,408,481.451,2.615,5,0.347,0.66,1.0,0.6068638201631142,0.382504626139401,0.4612517990542115,0.35989651154821467,0.45262918922623535
EOS-3-44435,Cc1ncccc1-c1cncc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,UIMVKUDJCCDKCF-UHFFFAOYSA-N,3,1,0.484,2,419,447.861,4.323,5,0.37,0.62,1.0,0.7498629292029333,0.7187564251936125,0.792911726406689,0.7590124049071345,0.7551358714275924
EOS-3-44436,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4C)n23)cn1,PVLABHMNOBHUMO-UHFFFAOYSA-N,3,1,0.443,7,535,412.457,3.178,5,0.437,0.67,1.0,0.3416832293879789,0.13397813720786786,0.3033719416078404,0.18815536974847508,0.2417971694880406
EOS-3-44437,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccn6C)nc5F)n34)nc2)n1C,SGJDMOXVLATMDP-UHFFFAOYSA-N,3,1,0.277,70,652,466.484,3.497,6,0.366,0.59,0.799,0.19588273593310945,0.19872695497224316,0.24873209512713315,0.20209375642519362,0.21135888561441984
EOS-3-44438,FCc1nncc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)n1,ZYVJUQKLFZPBFD-UHFFFAOYSA-N,3,1,0.473,55,772,466.839,3.879,5,0.347,0.6,1.0,0.680445137413474,0.8616784319100815,0.6382444657665685,0.6865533548077583,0.7167303474744706
EOS-3-44439,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4-c4cccnn4)n23)s1,IBPQVQUXKKOISH-UHFFFAOYSA-N,3,1,0.314,76,259,471.937,4.426,6,0.375,0.66,0.99,0.1458090603796861,0.3441762045096292,0.30338050853265713,0.4234202590638065,0.3041965081214447
EOS-3-44440,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4F)n23)ccc1Cl,LDCCZUYMWHNMRO-UHFFFAOYSA-N,3,1,0.704,57,13,449.848,5.364,5,0.361,0.76,1.0,0.955254951682544,0.9695360153519292,0.97516448495648,0.9790281680487972,0.9697459050099376
EOS-3-44441,Cc1nccc(CCOc2cncc3nnc(-c4cccc(-c5cnncn5)c4)n23)n1,MPGRIVRMSNEUDX-UHFFFAOYSA-N,3,1,0.483,15,931,411.429,2.363,5,0.415,0.7,1.0,0.7290196011239806,0.46437872661229523,0.1505722705777534,0.1208193406894661,0.3661974847508739
EOS-3-44442,Cc1nsc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)n1,CFGPLTKZZDXWKP-UHFFFAOYSA-N,3,1,0.483,7,420,421.421,2.521,5,0.422,0.56,1.0,0.44625968062504284,0.4555633609759441,0.04316873415118909,0.0494739908162566,0.24861644164210814
EOS-3-44443,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)n(-c5ncc(F)cn5)n4)n23)s1,HDXKNGHUWZUIIL-UHFFFAOYSA-N,3,1,0.378,46,128,471.865,2.299,5,0.398,0.59,0.819,0.28003563840723733,0.21291378246864506,0.04465081214447262,0.061964567198958265,0.1498912000548283
EOS-3-44444,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)cnc1Cl,JJTDINPPRZUXAV-UHFFFAOYSA-N,3,1,0.5,97,525,468.279,4.668,5,0.346,0.69,1.0,0.8812966897402509,0.8673240353642656,0.8825474607634843,0.894935234048386,0.8815258549790967
EOS-3-44445,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)c(Cl)c4)n23)ccn1,DXDPAOFVUKOYDS-UHFFFAOYSA-N,3,1,0.588,88,595,464.863,4.801,5,0.336,0.7,1.0,0.9688592282914125,0.9688592282914125,0.8954663833870194,0.9061493386334042,0.9348335446508121
EOS-3-44446,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5ncc(F)cn5)n4)n23)cc1,SHIXOCOBRIUZBV-UHFFFAOYSA-N,3,1,0.441,56,614,470.432,1.676,6,0.353,0.58,1.0,0.34169179631279556,0.35860290590089783,0.05735556164759098,0.060568158453841406,0.20455460557878144
EOS-3-44447,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5F)n34)ccn2)cn1,SIVUWVJFOJAUHN-UHFFFAOYSA-N,3,1,0.489,24,577,465.395,3.132,5,0.381,0.6,1.0,0.7528699198135838,0.7465303954492495,0.8500959495579467,0.8078181755876911,0.7893286101021177
EOS-3-44448,Cc1c(F)cncc1-c1cc(-c2nnc3cncc(Oc4ncccc4Cl)n23)ccc1F,OCDRQDHDVWQZRW-UHFFFAOYSA-N,3,1,0.405,13,995,450.836,5.281,5,0.37,0.73,1.0,0.8868223562470016,0.9036477965869372,0.9246281954629566,0.9215526694537729,0.9091627544376671
EOS-3-44449,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccnc(F)c6)n5)n34)cc2)ccn1,CAERZNJDBMUPAI-UHFFFAOYSA-N,3,1,0.333,42,594,464.439,4.651,6,0.351,0.66,1.0,0.34397916523884586,0.45557192790076073,0.8337845247070111,0.8425484887944623,0.6189710266602699
EOS-3-44450,Cc1cccc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5nc(C)nn5C)n4)n23)n1,PKYQEPULFHTWLH-UHFFFAOYSA-N,3,1,0.279,76,387,460.505,3.723,6,0.391,0.53,0.95,0.04676684257418957,0.019652525529435954,0.05736412857240765,0.054639846480707285,0.044605835789185116
EOS-3-44451,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)n2)nc1,XMIXZAKEEHNGJF-UHFFFAOYSA-N,3,1,0.452,58,617,464.848,3.418,5,0.349,0.59,1.0,0.6466914536358029,0.7552429579878007,0.45775649372901106,0.4106641080117881,0.5675887533411007
EOS-3-44452,CC1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cc2)CC1,VTTYVSDEJSOXEE-UHFFFAOYSA-N,3,1,0.368,62,376,474.568,5.392,6,0.349,0.86,1.0,0.060114111438558014,0.016482763347268864,0.09436467685559592,0.26970392707833596,0.11016636967993969
EOS-3-44453,Fc1ccc(-c2nnc3cncc(OCc4c(CN5CCCC5)cnc(F)c4Cl)n23)c(F)c1,QIVMSPIWTDXWQI-UHFFFAOYSA-N,3,1,0.484,90,555,474.874,4.432,5,0.385,0.66,1.0,0.44849564800219316,0.50038551161675,0.3033890754574738,0.6746795970118566,0.4817374580220684
EOS-3-44454,Cc1cc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)ccc1F,ZNIUJQAZAYPQDA-UHFFFAOYSA-N,3,1,0.261,39,449,479.454,4.354,6,0.367,0.7,1.0,0.29650126790487286,0.34893084778287986,0.5304125830991707,0.567618737577959,0.43586585909122066
EOS-3-44455,OC(c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccncn5)n4)n23)cn1)C(F)F,UZKORPBJICHHEI-UHFFFAOYSA-N,3,1,0.495,27,786,462.42,2.916,5,0.389,0.55,1.0,0.637841820300185,0.6365225138784182,0.7665598656706188,0.6402148584744021,0.670284764580906
EOS-3-44456,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5nc(Cl)ncc5F)n34)c2)nc1,SGIADQLEQINNGJ-UHFFFAOYSA-N,3,1,0.453,2,491,467.827,2.986,5,0.347,0.58,1.0,0.82517476526626,0.8094116236035912,0.34758584058666303,0.4074086765814543,0.5973952265094921
EOS-3-44457,Cc1nn(C)c(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nn1,NGUZZSUAANROCW-UHFFFAOYSA-N,3,1,0.646,36,996,478.463,3.779,5,0.348,0.71,1.0,0.43919196765129187,0.5894215612363786,0.44709067233225963,0.3565896785689809,0.45807346994722775
EOS-3-44458,Fc1nccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1F,XJMOPPYVKGLYEC-UHFFFAOYSA-N,3,1,0.549,34,534,451.824,4.154,5,0.371,0.58,1.0,0.8830871770269344,0.9617401137687616,0.8733894181344665,0.8907717085874854,0.902247104379412
EOS-3-44459,Cn1nccc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)c1=O,AIOSVITWPFQBTL-UHFFFAOYSA-N,3,1,0.462,16,605,463.86,3.319,5,0.394,0.52,1.0,0.5225995476663697,0.42004489068603934,0.6693509697758893,0.6891919676512919,0.5752968439448976
EOS-3-44460,Fc1cc(-c2ccoc2)cnc1COc1cncc2nnc(-c3ccc(-c4cccnn4)cn3)n12,NKIZXLDFOMMFBC-UHFFFAOYSA-N,3,1,0.426,6,280,466.436,4.016,6,0.359,0.64,1.0,0.5430487972037558,0.43807826742512507,0.5437598519635392,0.5182732506339525,0.5107900418065932
EOS-3-44461,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,QWTDNNXHVNOJEE-UHFFFAOYSA-N,3,1,0.565,35,393,409.453,3.573,5,0.423,0.82,1.0,0.6587451168528545,0.5230964293057364,0.5170738811596189,0.42662428894524024,0.5313849290658625
EOS-3-44462,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)c2)s1,KCKPPEOFSJVDQZ-UHFFFAOYSA-N,3,1,0.325,64,27,466.505,4.881,6,0.365,0.69,1.0,0.13511753820848468,0.2436947433349325,0.3290127475841272,0.4329638133095744,0.28519721060927966
EOS-3-44463,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)n1,JKVCIVDYCBWYOE-UHFFFAOYSA-N,3,1,0.457,31,986,414.433,1.702,5,0.408,0.67,1.0,0.432149955451991,0.25858405866630113,0.027576930984853677,0.01517202385031869,0.1833707422383661
EOS-3-44464,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)cn1,JDBGRGUDXVXYCR-UHFFFAOYSA-N,3,1,0.483,16,55,419.395,3.444,5,0.406,0.6,1.0,0.592659858817079,0.47763175930368035,0.8264769378383935,0.7667312041669523,0.6658749400315263
EOS-3-44465,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1,SQJXDRBXSXUEDC-UHFFFAOYSA-N,3,1,0.753,48,378,405.433,3.302,4,0.51,0.86,1.0,0.8490507847303133,0.4245168254403399,0.5304211500239874,0.4203532999794394,0.55608551504352
EOS-3-44466,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cc(-c5cccs5)ccn4)n23)cc1,SMOMNWBNJUNPHQ-UHFFFAOYSA-N,3,1,0.459,1,348,453.449,5.513,5,0.351,0.84,1.0,0.74987149612775,0.5941676375848125,0.9819666232609142,0.9591100678500446,0.8212789562058803
EOS-3-44467,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cnn2)nc1,WSQASTOQVOEPMV-UHFFFAOYSA-N,3,1,0.484,58,778,444.886,3.622,5,0.366,0.55,1.0,0.7198101569460627,0.7143016242889453,0.4213641971078062,0.42342882598862314,0.5697262010828593
EOS-3-44468,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnsc5)nn4)n23)cc1,CDUNCJWRMDQTFN-UHFFFAOYSA-N,3,1,0.456,56,415,468.506,3.079,6,0.363,0.59,1.0,0.3244637105064766,0.2486978274278665,0.13526317593036805,0.1231666780892331,0.20789784798848607
EOS-3-44469,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)cnn2)c1,XPLMJMDPMQKUGY-UHFFFAOYSA-N,3,1,0.484,37,482,466.839,3.591,5,0.374,0.54,1.0,0.7558255088753341,0.8786409430470838,0.5961208964430128,0.7032074566513604,0.7334487012541977
EOS-3-44470,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccs4)n23)cnc1F,ARZAAAJUVBHWBC-UHFFFAOYSA-N,3,1,0.557,87,227,422.449,2.804,5,0.388,0.59,1.0,0.5557878144061408,0.5183503529573025,0.1888150229593585,0.17994825577410734,0.3607253615242273
EOS-3-44471,COc1ncccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1C#N,VEKMVFCKUSEENC-UHFFFAOYSA-N,3,1,0.478,72,418,470.88,3.756,5,0.364,0.64,1.0,0.6349119320128846,0.7421526968679323,0.6175639092591323,0.5416438215338222,0.6340680899184429
EOS-3-44472,Fc1cnc(F)c(COc2cncc3nnc(-c4cc(-c5cccc(F)n5)n[nH]4)n23)c1,PFQZELDJKODICE-UHFFFAOYSA-N,3,1,0.385,46,963,424.346,2.968,5,0.432,0.54,0.384,0.6467000205606196,0.4686707559454458,0.7044496607497772,0.7032160235761771,0.630759115208005
EOS-3-44473,N#Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cn1,DZJAAXYASDKZCR-UHFFFAOYSA-N,3,1,0.5,65,262,412.373,1.519,5,0.398,0.75,1.0,0.652619765608937,0.527568364060037,0.08739120005482832,0.07433520663422657,0.33547863408950723
EOS-3-44474,Cc1ncc(-c2ccc(-c3nnc4cncc(Cc5cncc(CF)c5)n34)cn2)nn1,GINSVDJUPOBHLN-UHFFFAOYSA-N,3,1,0.323,85,976,413.42,2.802,5,0.433,0.63,0.991,0.187641354259475,0.19873552189705984,0.245022616681516,0.22859125488314713,0.2149976869302995
EOS-3-44475,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)c(F)c1,SNQPTIHTKQQFTH-UHFFFAOYSA-N,3,1,0.325,9,38,466.455,4.594,6,0.353,0.65,1.0,0.20705400589404427,0.3391045850181619,0.8517493660475636,0.8565382770200809,0.5636115584949626
EOS-3-44476,Cc1cnc(-c2nnc3cncc(OCc4cccc(-c5nc(C)n(C)n5)n4)n23)cn1,CNABTRWYPUASTQ-UHFFFAOYSA-N,3,1,0.413,31,828,414.433,1.968,5,0.425,0.63,0.95,0.1759903365088068,0.09791138372969639,0.014246795970118567,0.005988280446850798,0.07353419916386814
EOS-3-44477,CCc1nc(-c2nnc3cncc(OCCc4cnccc4C)n23)ncc1-c1ccc(C)nn1,LWXBZSOPYDFKHL-UHFFFAOYSA-N,3,1,0.402,31,986,453.51,3.234,5,0.366,0.55,1.0,0.32447227743129325,0.12371496127749983,0.04640703173188952,0.03246007813035433,0.13176358714275924
EOS-3-44478,CCn1c(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2F)nc(C)c1C,IIGXOYKAODHAOD-UHFFFAOYSA-N,3,1,0.527,26,361,458.501,3.842,5,0.366,0.6,1.0,0.6983157425810431,0.5845298471660613,0.17909156329244055,0.15051230210403674,0.40311236378589543
EOS-3-44479,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(F)n1,UQXQAQIHJKZHMW-UHFFFAOYSA-N,3,1,0.458,58,954,451.853,2.791,5,0.362,0.54,1.0,0.6265249126173669,0.622241450209033,0.1791001302172572,0.23734665204578165,0.4163032862723597
EOS-3-44480,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c(F)c2)ccn1,ZYFWQQKGXCYIEY-UHFFFAOYSA-N,3,1,0.554,97,71,450.836,4.759,5,0.359,0.68,1.0,0.7900675073675554,0.9288688232472072,0.9280035638407237,0.9360136385443081,0.8957383832499486
EOS-3-44481,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)c2)s1,OCYAFFBSFWWKRY-UHFFFAOYSA-N,3,1,0.494,4,506,453.89,4.385,5,0.39,0.61,1.0,0.5926684257418957,0.6560379686107874,0.4717891165787129,0.5214344458913028,0.5604824892056748
EOS-3-44482,Cc1nc(-c2cnc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)cs1,HIYWUVBDUVOALO-UHFFFAOYSA-N,3,1,0.424,31,954,455.956,4.35,5,0.376,0.61,0.944,0.5557963813309574,0.6082602289082311,0.14448975395791927,0.18816393667329176,0.37417757521759987
EOS-3-44483,CCn1nncc1-c1cnc(F)c(-c2nnc3cncc(OCc4cnccn4)n23)c1,WEYCLXIWKHBHFC-UHFFFAOYSA-N,3,1,0.406,92,535,418.396,1.973,5,0.381,0.62,1.0,0.2853214310191214,0.32031731889520937,0.09659207730792954,0.09253992186964567,0.19869268727297648
EOS-3-44484,NC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cnc(-c6cnccn6)s5)cn4)n23)s1,VKZABDXEBAWBHZ-UHFFFAOYSA-N,3,1,0.264,86,513,472.519,2.718,6,0.403,0.54,0.754,0.022179768350352957,0.0047203755739839625,0.033453841409087796,0.02396168871221986,0.021078918511411145
EOS-3-44485,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)nc(Cl)n4)n23)cc1,AWEFUODRQGJXFT-UHFFFAOYSA-N,3,1,0.506,16,19,436.838,3.353,5,0.308,0.65,1.0,0.7290281680487972,0.7001319306421767,0.47848845178534716,0.45194811870331025,0.5898991672949079
EOS-3-44486,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnns6)n5)n34)s2)cc1,LVYYBIILCYBHDF-UHFFFAOYSA-N,3,1,0.292,76,541,440.517,4.495,6,0.398,0.61,1.0,0.035030155575354674,0.11674148447673223,0.1415255979713522,0.24582790761428278,0.13478128640943046
EOS-3-44487,Cc1cccc(-c2cncc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)n1,KSGWVUCGTRIALT-UHFFFAOYSA-N,3,1,0.465,87,307,461.888,4.366,5,0.371,0.6,1.0,0.7616681516003015,0.7635528750599685,0.6260965663765334,0.6373021040367349,0.6971549242683845
EOS-3-44488,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)c2)s1,HYBLNFZBMORNBE-UHFFFAOYSA-N,3,1,0.512,16,214,459.922,4.722,5,0.374,0.7,1.0,0.7676821328216024,0.8391988211911452,0.7199729285175793,0.70056027688301,0.7568535398533343
EOS-3-44489,Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5nc(C)cs5)cc4F)n23)cc1,WHAPQJLAXNDJQV-UHFFFAOYSA-N,3,1,0.437,1,412,418.457,4.858,5,0.415,0.76,1.0,0.7290367349736139,0.6901343293811254,0.4923326022890823,0.4139366732917552,0.5813600849838942
EOS-3-44490,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(C)nn4)n23)ccn1,PRBFVIQRQHLFSL-UHFFFAOYSA-N,3,1,0.44,92,624,413.445,2.747,5,0.418,0.67,1.0,0.17061887464875608,0.1109759440751148,0.11232095127133164,0.06871530395449249,0.11565776848742375
EOS-3-44491,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5nccn5C)ns4)n23)nc1,LCIFBOITVMCINJ-UHFFFAOYSA-N,3,1,0.381,80,816,471.51,2.418,6,0.36,0.6,1.0,0.24527105750119937,0.17253786580768968,0.018641628401069154,0.013115961894318415,0.11239162840106916
EOS-3-44493,Cn1cnnc1-c1ccc(-c2nnc3cncc(Cc4cc(-c5ccncc5)ncn4)n23)cc1F,BXRLVSUOBSLJCE-UHFFFAOYSA-N,3,1,0.347,60,314,464.468,3.169,6,0.382,0.52,1.0,0.3066787745870742,0.32937255842642726,0.3587913782468645,0.36960283736549926,0.3411113871564663
EOS-3-44495,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)s2)cc1Cl,UNQPPNZGZIGGDM-UHFFFAOYSA-N,3,1,0.387,45,730,459.844,5.102,5,0.372,0.71,0.241,0.28808854773490505,0.5691950517442259,0.8665273113563156,0.8977280515386197,0.6553847405935165
EOS-3-44496,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc(-c2ccc(Cl)nc2)n1,KNSJDXICNKGIOO-UHFFFAOYSA-N,3,1,0.533,35,669,472.871,3.929,5,0.341,0.63,1.0,0.9359965046946748,0.9592214378726612,0.7802669453772874,0.7716143513124529,0.861774809814269
EOS-3-44497,CCn1c(-c2ncc(F)cn2)nnc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)cn3)n12,FIFKKVYTQBEZCH-UHFFFAOYSA-N,3,1,0.267,99,852,482.487,2.77,6,0.364,0.67,0.805,0.13779898567610172,0.17254643273250633,0.015480433143718731,0.019224179288602563,0.08626250771023233
EOS-3-44498,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)n6)o5)n34)nc2)c(F)c1,VSUWBDYJUBCQKT-UHFFFAOYSA-N,3,1,0.298,3,541,472.39,4.383,6,0.348,0.68,0.455,0.3145946131176753,0.4958621753135494,0.6829980810088411,0.7616852854499349,0.5637850387225002
EOS-3-44499,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)nc(F)c5)ns4)n23)cn1,FWTWJMOKGLHQQZ-UHFFFAOYSA-N,3,1,0.529,55,430,437.435,3.87,5,0.386,0.59,1.0,0.6467085874854362,0.6266534164896169,0.5637464875608251,0.5150435199780686,0.5880380028784867
EOS-3-44500,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)ncc2Cl)cn1,LULSXCAOZJWUFH-UHFFFAOYSA-N,3,1,0.541,73,391,470.295,4.612,5,0.373,0.69,1.0,0.6894061407717086,0.8616869988348982,0.8979079569597698,0.9083596052361045,0.8393401754506202
EOS-3-44501,Fc1cccc(COc2cncc3nnc(-c4ccc(Oc5ccccc5)nc4)n23)c1,DYRYJFLESNMSPD-UHFFFAOYSA-N,3,1,0.561,79,881,413.412,4.697,5,0.402,0.82,1.0,0.8466691796312795,0.8211054759783428,0.82468645055171,0.7926375848125556,0.821274672743472
EOS-3-44502,Cc1cc(Cl)nc(-c2cc(-c3nnc4cncc(OCc5nnccc5Cl)n34)cnn2)n1,SCUGPOKMIXENQE-UHFFFAOYSA-N,3,1,0.402,53,587,467.28,3.023,5,0.356,0.6,1.0,0.4846395038037146,0.5894301281611952,0.15992735247755466,0.2549174148447673,0.37222859982180795
EOS-3-44503,Cc1c[nH]c(CCOc2cncc3nnc(-c4ccnc(-c5cc(F)ncc5F)c4)n23)n1,JYRZEZPJRGFSEZ-UHFFFAOYSA-N,3,1,0.448,75,496,434.41,3.18,5,0.409,0.56,0.999,0.5699061065040093,0.4422503598108423,0.48908573778356523,0.4519566856281269,0.48829972243163594
EOS-3-44504,Cc1ccc(-c2nnc3cncc(OCCc4cc(F)c(Oc5cccc(F)c5)nn4)n23)cn1,ZOURWXYAGSBGFD-UHFFFAOYSA-N,3,1,0.526,11,132,461.432,3.977,5,0.359,0.6,1.0,0.7584812555685011,0.8555873483654307,0.520217942567336,0.4887430607908985,0.6557574018230415
EOS-3-44505,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)cc1,BLJZINGEDPTUBL-UHFFFAOYSA-N,3,1,0.645,89,320,409.413,2.432,5,0.434,0.74,1.0,0.5482917551915565,0.3293811253512439,0.392485093550819,0.3061561921732575,0.3940785415667193
EOS-3-44506,Cn1c(C#N)cnc1-c1cccc(-c2nnc3cncc(OCc4cncs4)n23)c1,DJXYWLJOASAQLQ-UHFFFAOYSA-N,3,1,0.518,16,921,414.454,3.099,5,0.435,0.68,1.0,0.430111027345624,0.33911315194297853,0.3105424576793914,0.2697124940031526,0.3373697827427866
EOS-3-44507,CCn1cc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,FIIZOAMUKBIKLJ-UHFFFAOYSA-N,3,1,0.494,13,145,434.862,5.26,5,0.377,0.74,1.0,0.42306901514632306,0.5550424919470907,0.8501045164827633,0.8515437598519635,0.6699399458570351
EOS-3-44508,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(-c6nncnn6)nc5)n34)c2)nn1,OHAVFHOMZJFAEF-UHFFFAOYSA-N,3,1,0.495,71,502,476.464,2.173,6,0.346,0.62,0.966,0.4094304708381879,0.2585926255911178,0.12379206360084984,0.10265746007813036,0.22361815502707147
EOS-3-44509,Fc1cc(-c2ncccc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(F)cn1,PEBPDTSHSOZPMO-UHFFFAOYSA-N,3,1,0.281,10,317,452.428,4.379,6,0.369,0.58,0.859,0.01743369200191899,0.14889315331368652,0.7250188472345966,0.7616938523747515,0.41325988623123844
EOS-3-44510,Cn1c(-c2cncs2)nnc1-c1cncc2nnc(-c3ccc(-c4nccnn4)cc3Cl)n12,VWVUNUHMWJIXAG-UHFFFAOYSA-N,3,1,0.318,8,754,473.913,3.216,6,0.379,0.6,1.0,0.14887601946405318,0.294924953738606,0.06131348091289151,0.14558632033445273,0.16267519361250085
EOS-3-44511,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3nnc(-c4cccnc4)s3)n12,KRMOOJANHFMBAS-UHFFFAOYSA-N,3,1,0.467,27,534,455.425,4.361,5,0.376,0.66,1.0,0.6378503872250018,0.7890994448632719,0.719981495442396,0.7248989102871634,0.7179575594544583
EOS-3-44512,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)n5)n34)cnn2)c1,QFHURPVXJVDFCC-UHFFFAOYSA-N,3,1,0.426,20,279,433.382,2.333,5,0.398,0.48,0.999,0.6620947844561716,0.6266619834144336,0.35521897059831403,0.39203961346035227,0.5090038379823179
EOS-3-44513,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)c1,BHQGLIFYOSKNMV-UHFFFAOYSA-N,3,1,0.506,75,525,465.851,4.196,5,0.347,0.62,1.0,0.9514169693646769,0.9379154958536083,0.8156911794942088,0.8305976286752107,0.8839053183469261
EOS-3-44514,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5Cl)n34)cnn2)cn1,DWWHEGQCMXCUGW-UHFFFAOYSA-N,3,1,0.533,84,778,462.876,3.761,5,0.375,0.54,1.0,0.7958159139195394,0.8586628743746145,0.6320334452744842,0.6373106709615517,0.7309557261325474
EOS-3-44515,Fc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2)ccn1,VTYYZZBJZDJFJP-UHFFFAOYSA-N,3,1,0.544,57,913,435.821,5.577,5,0.345,0.83,1.0,0.9337434034678912,0.9564371873072441,0.972303132067713,0.977537523130697,0.9600053114933863
EOS-3-44516,Cn1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1-c1cccnn1,ZPWGAGALBBHDDT-UHFFFAOYSA-N,3,1,0.387,53,564,421.371,2.234,5,0.425,0.54,0.993,0.4183572064971558,0.30485401960112396,0.3852803097800014,0.3920481803851689,0.37513492906586254
EOS-3-44517,Fc1cnc(CCOc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)nc1Cl,XYLZQZFRAOICCS-UHFFFAOYSA-N,3,1,0.511,35,795,453.89,4.119,5,0.357,0.62,1.0,0.7584898224933178,0.7507196216846,0.417680419436639,0.49485127818518265,0.6054352854499349
EOS-3-44518,Cc1nc(-c2ccc(F)c(F)c2)ccc1-c1nnc2cncc(OCc3cncc(Cl)n3)n12,WDEAMYHBJKGIPG-UHFFFAOYSA-N,3,1,0.444,59,401,465.851,4.462,5,0.378,0.64,1.0,0.7760177506682201,0.8392073881159618,0.7755894044273868,0.7949934891371393,0.7964520080871771
EOS-3-44519,Cc1cnc(C)c(COc2cncc3nnc(-c4ccnc(-c5ccccc5F)c4)n23)c1C,DXAZTIUSKVNTBR-UHFFFAOYSA-N,3,1,0.489,97,214,440.482,4.892,5,0.387,0.64,1.0,0.7135134672058118,0.5645774792680419,0.6473254060722363,0.5643119045987253,0.6224320642862038
EOS-3-44520,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6)n5)n34)cn2)ccn1,DTRXBUZFYRIOFB-UHFFFAOYSA-N,3,1,0.306,10,705,465.908,4.458,6,0.379,0.6,0.998,0.042449112466588994,0.19408368172160922,0.492341169213899,0.5513073127270235,0.3200453190322802
EOS-3-44521,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)cc(Cl)n2)nc1,KOUXXAFSEKGQEJ-UHFFFAOYSA-N,3,1,0.457,75,262,449.837,2.847,5,0.36,0.5,1.0,0.8094458913028579,0.8016242889452402,0.18231272702350765,0.24317216092111577,0.5091387670481804
EOS-3-44522,Cc1nc(Cl)sc1COc1cncc2nnc(-c3cc(-c4ccc(F)cc4)ncn3)n12,WXFJXPZTMBVQIV-UHFFFAOYSA-N,3,1,0.466,44,488,453.89,4.385,5,0.39,0.67,1.0,0.6834007264752244,0.6656843259543554,0.3815793982592009,0.4643615927626619,0.5487565108628607
EOS-3-44523,Clc1ncccc1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,XVLDKNWGMHJOCQ-UHFFFAOYSA-N,3,1,0.494,24,912,415.844,3.876,5,0.402,0.69,1.0,0.7528784867384004,0.6656928928791721,0.5637550544856418,0.5864916729490782,0.6422045267630732
EOS-3-44524,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cc4)n23)cn1,PQOPLODOKUNARF-UHFFFAOYSA-N,3,1,0.518,12,492,463.476,5.185,6,0.35,0.79,1.0,0.5611507093413748,0.6411058186553354,0.795053457610856,0.7692584469878693,0.6916421081488588
EOS-3-44525,Cc1nccc(CCOc2cncc3nnc(-c4cnnc(-c5cncc(Cl)c5)c4)n23)c1F,HERHPSQRBJXYBB-UHFFFAOYSA-N,3,1,0.47,65,778,462.876,3.761,5,0.375,0.57,1.0,0.8016071550956069,0.7891080117880885,0.5865173737235282,0.5985624700157631,0.6939487526557466
EOS-3-44526,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncn4)n23)ccc1Cl,HHQIQOMUGDZYDO-UHFFFAOYSA-N,3,1,0.462,4,633,465.304,4.233,5,0.38,0.59,1.0,0.6834092934000411,0.852563223905147,0.6025289562058803,0.6544102528956206,0.6982279316016722
EOS-3-44527,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cncc(F)c5)cc4F)n23)cc1)N1CCCC1,NHXGZIHZAWAUHH-UHFFFAOYSA-N,3,1,0.377,62,376,482.494,5.035,6,0.359,0.86,1.0,0.19048557329860874,0.1895603454184086,0.21317935713796177,0.504900280995134,0.2745313892125283
EOS-3-44528,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)nc2F)n(C)n1,CQVOBEQDVHVWNM-UHFFFAOYSA-N,3,1,0.424,31,814,449.425,2.585,5,0.364,0.54,0.998,0.48709821122609825,0.442258926735659,0.1069837571105476,0.12541977931601672,0.2904401685970804
EOS-3-44530,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)nc1,UWELQIBWGKIERY-UHFFFAOYSA-N,3,1,0.429,65,65,416.38,1.589,5,0.402,0.58,1.0,0.7290453018984305,0.5692036186690426,0.11232951819614831,0.12744157357275032,0.3845050030840929
EOS-3-44531,COc1cc(-c2nnc3cncc(-c4nnc(-c5ccccc5)[nH]4)n23)ccc1-c1cncs1,HKSMSMUWKASCBC-UHFFFAOYSA-N,3,1,0.326,30,774,452.503,4.376,6,0.414,0.61,1.0,0.15712596806250428,0.11380302926461518,0.370022616681516,0.35659824549379754,0.24938746487560826
EOS-3-44532,CCOc1ncc(F)cc1-c1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccn1,XTSFTCCDPSWRLJ-UHFFFAOYSA-N,3,1,0.453,92,662,460.473,3.407,5,0.364,0.6,1.0,0.3763621410458502,0.34418477143444587,0.25243300664793367,0.14559488725926942,0.2796437015968748
EOS-3-44533,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4)n23)cc1,ANOSZRFYMHEWHR-UHFFFAOYSA-N,3,1,0.506,0,646,403.873,3.928,5,0.548,0.92,1.0,0.32976663696799396,0.3681892947707491,0.42858611472825714,0.592685559591529,0.4298069015146323
EOS-3-44535,Cn1c(F)ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ncn4)n23)c1=O,KBKOSTNHASPNPA-UHFFFAOYSA-N,3,1,0.427,44,481,462.42,2.242,5,0.353,0.56,0.936,0.42555342334315677,0.19409224864642588,0.33291926530052773,0.36330614762524843,0.3289677712288397
EOS-3-44536,COc1ncc(-c2ccc(Cl)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,GGIXDIMNYNEQFZ-UHFFFAOYSA-N,3,1,0.394,46,915,481.303,3.933,5,0.356,0.69,0.999,0.6349204989377013,0.6222500171338496,0.4683280789527791,0.4706154478788294,0.5490285107257898
EOS-3-44537,Cn1nc(-c2ccc(Cl)nc2)nc1-c1cncc2nnc(-c3cc(F)cc(OC(F)F)c3)n12,BDRZIPLAORUYHC-UHFFFAOYSA-N,3,1,0.386,22,121,472.818,4.043,5,0.356,0.68,0.652,0.3120588033719416,0.6315536974847509,0.7687187307244192,0.820685696662326,0.6332542320608594
EOS-3-44538,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cnn2)c1,VWXKHBHSQBTLAL-UHFFFAOYSA-N,3,1,0.438,87,778,448.849,3.452,5,0.364,0.53,0.999,0.7228771160304297,0.7722825714481529,0.5170824480844356,0.5865002398738949,0.6496855938592283
EOS-3-44539,CCn1cncc1-c1cncc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)c1,IVGMZCUNDPJGOQ-UHFFFAOYSA-N,3,1,0.396,13,724,453.84,4.794,5,0.38,0.65,1.0,0.569914673428826,0.6179151531766157,0.8561356315536974,0.842557055719279,0.7216306284696046
EOS-3-44540,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cccnc6F)c5)n34)cn2)nn1,KUITYDAHUVZAPG-UHFFFAOYSA-N,3,1,0.324,30,20,460.476,4.82,6,0.348,0.67,1.0,0.282622849701871,0.3631690768281818,0.6557895277911041,0.6544188198204373,0.4890000685353985
EOS-3-44541,Cc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1cnnn1C,LRUTUHBMBLELRW-UHFFFAOYSA-N,3,1,0.421,31,773,465.88,3.099,5,0.376,0.55,0.333,0.4797392228085806,0.47303988760194643,0.3399184428757453,0.3633147145500651,0.41400306695908434
EOS-3-44542,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)ccn1,GUNWROFXBGFUIU-UHFFFAOYSA-N,3,1,0.511,75,525,461.888,4.388,5,0.332,0.64,1.0,0.839901309026112,0.7465389623740663,0.6693595367007059,0.6544273867452539,0.7275567987115346
EOS-3-44543,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCCc5ccc(Cl)nn5)n34)c2)cc1=O,HLLDBIDOVKYPOK-UHFFFAOYSA-N,3,1,0.427,72,482,474.912,3.007,5,0.331,0.7,1.0,0.43011959427044066,0.43361489959564115,0.17595606880954012,0.22251730518812968,0.3155519669659379
EOS-3-44544,FCc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)n1,AIKDTZKOFKQYPL-UHFFFAOYSA-N,3,1,0.469,65,262,463.864,3.178,5,0.358,0.56,1.0,0.6467171544102529,0.7933486395723391,0.1212733877047495,0.16352546090055514,0.4312161606469742
EOS-3-44545,Cc1ccnc(-c2nnc3cncc(OCc4ccc(-c5ccccc5F)cn4)n23)c1,XFVRNYFDTQHEDZ-UHFFFAOYSA-N,3,1,0.489,1,850,412.428,4.275,5,0.429,0.76,1.0,0.5641148653279419,0.5645860461928586,0.7069340689466109,0.6921732574874923,0.6319520594887259
EOS-3-44546,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cscn5)n34)nn2C)cn1,STTKFIOIXMAPEU-UHFFFAOYSA-N,3,1,0.517,31,569,419.474,2.368,5,0.413,0.59,1.0,0.28809711465972176,0.09791995065451306,0.025392365156603387,0.017022479610718937,0.1071079775203893
EOS-3-44547,CCc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ncn(C)n1,CSOFZRUWNVLOBP-UHFFFAOYSA-N,3,1,0.433,31,578,445.462,2.7,5,0.352,0.56,0.983,0.4485042149270098,0.4155558220821054,0.09660064423274621,0.08501816188061134,0.26141971078061815
EOS-3-44548,CCn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c1,SNIPBKITJIPQPS-UHFFFAOYSA-N,3,1,0.39,31,643,465.88,3.274,5,0.36,0.57,0.837,0.460052429579878,0.37285826879583306,0.41031286409430473,0.43297238023439105,0.4190489856761017
EOS-3-44549,Fc1ccc(COc2cncc3nnc(-c4cnc(-c5cncnc5)nc4)n23)cc1-c1ccccc1,YHNSVYAQAATEEI-UHFFFAOYSA-N,3,1,0.512,41,868,476.475,4.423,6,0.348,0.72,1.0,0.8490593516551299,0.7278630662737304,0.6857223631005415,0.6836148995956411,0.7365649201562607
EOS-3-44550,FC(F)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccnnc5)c4)n23)c(Cl)c1,WYTKMHOJBNLERR-UHFFFAOYSA-N,3,1,0.506,97,51,465.851,4.813,5,0.355,0.69,1.0,0.8348639572339113,0.8989531217874032,0.9427129737509423,0.9267185251182236,0.9008121444726201
EOS-3-44551,Cc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccnc(Cl)n5)n34)c2)cc1,KLBJCZDXXYDGJE-UHFFFAOYSA-N,3,1,0.424,1,417,414.856,5.002,5,0.385,0.86,1.0,0.7616767185251182,0.7374751559180317,0.7568878075526009,0.7462733877047495,0.7505782674251251
EOS-3-44552,FCc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)c2)s1,HQIUQICJCBVUPX-UHFFFAOYSA-N,3,1,0.534,4,31,454.437,4.637,5,0.348,0.7,1.0,0.5353299979439381,0.6179237201014324,0.7018538825303269,0.6950517442258927,0.6375398362003976
EOS-3-44553,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)c2)s1,PSQSIKPJACZHJS-UHFFFAOYSA-N,3,1,0.495,87,142,450.915,3.683,5,0.361,0.6,1.0,0.5699232403536426,0.6512576245630869,0.1791086971420739,0.2251730518812967,0.406365653485025
EOS-3-44554,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)on1,JDNMPYAFJYLGHL-UHFFFAOYSA-N,3,1,0.427,18,194,452.837,3.376,5,0.342,0.61,0.999,0.519703927078336,0.4510057569734768,0.33632033445274484,0.3566068124186142,0.41590920773079293
EOS-3-44555,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccsc5)s4)n23)cc1,NRXPQYLQFLNVHR-UHFFFAOYSA-N,3,1,0.461,56,415,473.547,3.746,6,0.36,0.67,1.0,0.32700808717702695,0.2638698512781852,0.0632324720718251,0.06516003015557535,0.17981761017065315
EOS-3-44556,CC#Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)sn2)s1,ZERSPUGCHXLNCT-UHFFFAOYSA-N,3,1,0.558,36,32,465.951,4.37,5,0.356,0.68,1.0,0.7558340758001508,0.8525717908299637,0.1823212939483243,0.26707388115961894,0.5144502604345145
EOS-3-44557,Cc1cc(-c2cc(-c3nnc4cncc(Cc5ccc(F)cc5F)n34)ccn2)cnc1Cl,AHASRWFMKJRNRX-UHFFFAOYSA-N,3,1,0.356,14,358,448.864,5.079,5,0.359,0.71,1.0,0.41167500514015487,0.49587074223836614,0.9289887601946405,0.9377355904324584,0.693567524501405
EOS-3-44558,Cn1nc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)cc1-c1cccc(F)c1,JKZYXPQMQYCSHA-UHFFFAOYSA-N,3,1,0.426,81,218,480.467,3.157,6,0.354,0.67,0.965,0.31460318004249194,0.320325885820026,0.30339764238229044,0.31838119388664243,0.3141769755328627
EOS-3-44559,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)c1,XQJOZSYFOXPZNR-UHFFFAOYSA-N,3,1,0.38,93,68,432.462,5.45,6,0.372,0.75,1.0,0.026728805428003564,0.2586011925159345,0.8785552737989172,0.905018504557604,0.5172259440751148
EOS-3-44560,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)nc5)n34)cn2)n1,WCLUJVCFODYYRO-UHFFFAOYSA-N,3,1,0.31,70,664,456.922,4.816,6,0.353,0.68,0.993,0.019172777739702555,0.1853625522582414,0.4717976835035296,0.554699814954424,0.3077582071139744
EOS-3-44561,c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6conn6)cn5)n34)cc2)cs1,XGYCKCWSGDJNKC-UHFFFAOYSA-N,3,1,0.427,40,59,455.463,3.334,6,0.368,0.58,1.0,0.41610410527037217,0.38251319306421766,0.2061459118634775,0.18817250359810841,0.2982339284490439
EOS-3-44562,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)cn1,HJUXYUMNGLYIFQ-UHFFFAOYSA-N,3,1,0.446,18,194,414.404,2.799,5,0.391,0.67,1.0,0.7290538688232472,0.5894386950860119,0.4138253032691385,0.39205674730998563,0.5310936536220958
EOS-3-44563,Cc1nsc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)n1,ADCMQCYWWJMZON-UHFFFAOYSA-N,3,1,0.333,69,645,437.488,4.94,6,0.385,0.67,1.0,0.12113631690768281,0.15279967103008704,0.42137276403262286,0.41394524021657186,0.2773134980467411
EOS-3-44564,c1ccc(-c2ccc(-c3nnc4cncc(OCc5csnc5-c5cncnc5)n34)cc2)nc1,ZVXHLWOTDZVIPD-UHFFFAOYSA-N,3,1,0.456,40,120,464.514,4.346,6,0.358,0.66,1.0,0.4846480707285313,0.4336234665204578,0.39630594201905284,0.3825388938386677,0.42427909327667745
EOS-3-44565,Cc1ccc(-c2nnc3cncc(-c4cc(OCc5cccc(Cl)n5)ncc4Cl)n23)nn1,WJNLKEOYBDYHPI-UHFFFAOYSA-N,3,1,0.34,53,670,465.304,4.233,5,0.355,0.64,0.798,0.4028596395038037,0.4686793228702625,0.4956394352683161,0.5513158796518401,0.47962356932355554
EOS-3-44566,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)nc1F,HBGBKLPNYPVZDU-UHFFFAOYSA-N,3,1,0.442,18,442,465.851,4.196,5,0.347,0.61,1.0,0.883095743951751,0.8555959152902474,0.7378863683092317,0.7903416489616887,0.8167299191282297
EOS-3-44567,Cc1nnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(Cl)o5)n34)c2)s1,JRLAOECBFMTYEZ-UHFFFAOYSA-N,3,1,0.529,37,639,456.89,4.625,5,0.368,0.66,1.0,0.7730878623809198,0.7278716331985471,0.4784970187101638,0.5247155780960866,0.6260430230964293
EOS-3-44568,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)c(C)n1,DHEBQXKGRGJUIQ-UHFFFAOYSA-N,3,1,0.568,75,43,415.482,3.901,5,0.43,0.67,1.0,0.33697998766362824,0.26903570694263584,0.2524415735727503,0.179956822698924,0.2596035227194846
EOS-3-44569,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)cn1,KAHOFFPLVBJXCH-UHFFFAOYSA-N,3,1,0.57,75,454,410.441,2.968,5,0.421,0.73,1.0,0.6804537043382908,0.4289373586457405,0.28520149407168804,0.21419025426632857,0.402195702830512
EOS-3-44570,On1c(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nc2ccccc21,MVEFZNZPBPCZKI-UHFFFAOYSA-N,3,1,0.448,28,267,470.88,4.068,6,0.375,0.71,0.488,0.5021074635049003,0.5275769309848537,0.3963145089438695,0.4487183880474265,0.4686793228702625
EOS-3-44571,Cc1ccc(-c2cncc(-c3nnc4cncc(Oc5cc(Cl)cc(Cl)c5)n34)c2)nn1,CCSRKIRVAIZDDG-UHFFFAOYSA-N,3,1,0.448,13,995,450.289,5.051,5,0.378,0.65,1.0,0.5353385648687548,0.6315622644095675,0.7616424508258516,0.8167706120211089,0.6863284730313207
EOS-3-44572,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)cn1,CCLIBSJWVSENEJ-UHFFFAOYSA-N,3,1,0.455,18,324,414.404,2.799,5,0.391,0.65,1.0,0.6587536837776712,0.5645946131176752,0.4213813309574395,0.3920653142348023,0.509198735521897
EOS-3-44573,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC(C)(C)C)c(F)c4)n23)cc1F,GXQQJUNBXQZDON-UHFFFAOYSA-N,3,1,0.33,61,917,489.49,3.455,5,0.411,0.85,1.0,0.28532999794393804,0.29493352066342265,0.43609074086765814,0.30935165512987456,0.3314264786512233
EOS-3-44574,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccc2F)s1,GQIPGKUMSHZDDK-UHFFFAOYSA-N,3,1,0.517,72,639,467.917,4.427,5,0.341,0.72,1.0,0.8375111370022617,0.8786495099719005,0.38893838667671854,0.4612774998286615,0.6415941333698856
EOS-3-44575,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4nnc(-c5cccs5)s4)n23)cn1,AMOMOBHJAXFVML-UHFFFAOYSA-N,3,1,0.278,70,935,455.532,4.199,6,0.389,0.58,1.0,0.043836954286889177,0.1167500514015489,0.04317730107600576,0.060576725378658075,0.06608525803577547
EOS-3-44576,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5c(F)cccc5Cl)n34)cn2)n1,PZOHKDQIHSQMGN-UHFFFAOYSA-N,3,1,0.347,22,649,407.8,2.836,5,0.453,0.8,1.0,0.212425467754095,0.377681447467617,0.3105510246042081,0.4706240148036461,0.3428204886573915
EOS-3-44577,CCn1cc(-c2cccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)c2)cn1,DWAQXTZUENJMAD-UHFFFAOYSA-N,3,1,0.477,16,55,415.432,3.788,5,0.393,0.7,1.0,0.40286820642862037,0.3535484202590638,0.6205451990953328,0.5416523884586388,0.47965355356041395
EOS-3-44578,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccc2F)s1,CAOHYWYLZYOQFP-UHFFFAOYSA-N,3,1,0.529,37,589,467.917,4.427,5,0.365,0.66,1.0,0.8375197039270783,0.8944297854842026,0.42526214789939004,0.5049088479199506,0.6655301213076554
EOS-3-44579,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)sc1F,LHLJDLDIYCJBHT-UHFFFAOYSA-N,3,1,0.605,35,595,450.474,4.518,5,0.379,0.63,1.0,0.8016157220204235,0.7891165787129052,0.6056815845384141,0.5708056336097594,0.6918048797203755
EOS-3-44580,Fc1nc(-c2ccccc2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,FEHALNDYVJXMFF-UHFFFAOYSA-N,3,1,0.489,44,384,447.861,4.057,5,0.286,0.71,1.0,0.822519018573093,0.7765403330820368,0.570608594338976,0.6282382975807004,0.6994765608937015
EOS-3-44581,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)n1,ZTHHLFPGAJNUER-UHFFFAOYSA-N,3,1,0.512,97,91,438.875,4.681,5,0.371,0.67,1.0,0.8668871221986156,0.8057706805565075,0.7378949352340484,0.7879600438626551,0.7996281954629567
EOS-3-44582,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ncnc(OCc5cccc(Cl)n5)n4)n23)cn1,HJIKZUWJDUTVMN-UHFFFAOYSA-N,3,1,0.34,29,849,475.9,2.893,5,0.365,0.63,1.0,0.4696816530738126,0.4909447604687821,0.30691864848194095,0.1743112192447399,0.36046407031731886
EOS-3-44583,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccc6F)nc5)n34)c2)s1,MGHJPTZLWNATCS-UHFFFAOYSA-N,3,1,0.333,32,20,466.505,4.881,6,0.365,0.66,1.0,0.1402491261736687,0.315065793982592,0.39998115276540336,0.4456085943389761,0.32522616681516003
EOS-3-44584,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1ncccc1F,FXPSAJDKOIRXAC-UHFFFAOYSA-N,3,1,0.449,49,501,477.887,4.066,5,0.346,0.7,0.991,0.787368926050305,0.6803509012404907,0.4577650606538277,0.46128606675347816,0.5966927386745253
EOS-3-44585,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,DPYTYKLPHYJQBU-UHFFFAOYSA-N,3,1,0.464,37,771,480.891,3.404,5,0.349,0.68,1.0,0.5955897471043794,0.5739154273182099,0.43246693167020767,0.40117195531492017,0.5007860153519292
EOS-3-44586,Fc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccnc(F)c5F)n4)n23)nc1,SXKKTFKVISWNCX-UHFFFAOYSA-N,3,1,0.351,46,575,453.815,4.305,5,0.377,0.56,1.0,0.4048557329860873,0.5003940785415667,0.85011308340758,0.8949438009732027,0.6625766739771091
EOS-3-44587,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(F)nc5)n34)ncn2)n1,BEPLBNAHLQZMGH-UHFFFAOYSA-N,3,1,0.421,7,185,416.38,1.855,5,0.391,0.61,0.992,0.47228599821807965,0.5550510588719073,0.1238006305256665,0.12082790761428278,0.31799139880748406
EOS-3-44588,Cc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccnc(F)c5)c4)n23)c(Cl)n1,DHBVULSRTJYMJV-UHFFFAOYSA-N,3,1,0.495,87,76,461.888,4.366,5,0.347,0.66,1.0,0.8145689123432253,0.8211140429031595,0.7199900623672126,0.7169488040572956,0.7681554554177232
EOS-3-44589,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,JCMGVUAPBJOLKH-UHFFFAOYSA-N,3,1,0.495,58,710,460.885,3.322,5,0.337,0.62,1.0,0.6921475567130423,0.617932287026249,0.1727691727777397,0.1430162428894524,0.4064663148516208
EOS-3-44590,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ncn2)cn1,AFIIJHJSAWPJGC-UHFFFAOYSA-N,3,1,0.471,18,113,411.429,2.363,5,0.415,0.7,1.0,0.5404273182098553,0.24870639435268316,0.17277773970255636,0.12317524501404975,0.27127167431978616
EOS-3-44591,CCn1ncc(CCOc2cncc3nnc(-c4ccnc(-c5cccc(F)n5)c4)n23)c1Cl,KSOAMABITTUAEG-UHFFFAOYSA-N,3,1,0.5,58,583,464.892,3.879,5,0.337,0.66,1.0,0.4255619902679734,0.420053457610856,0.3034062093071071,0.3664930436570489,0.3788786752107463
EOS-3-44592,CCn1nc(C)nc1-c1cc(COc2cncc3nnc(-c4ccnc(C)c4)n23)nc(C)n1,XLFYIGCCOSYFRQ-UHFFFAOYSA-N,3,1,0.452,31,986,442.487,2.759,5,0.39,0.52,1.0,0.13512610513330134,0.11098451099993147,0.010862860667534781,0.004274895483517237,0.0653120930710712
EOS-3-44593,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)ccc1F,LIXVMGMVQNYMRC-UHFFFAOYSA-N,3,1,0.593,24,912,413.416,3.67,5,0.434,0.7,1.0,0.6378589541498184,0.5602597491604414,0.5027499828661504,0.43903776300459185,0.5349766122952505
EOS-3-44594,COc1ncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cncnc1,WQJNSAZEQFVAHP-UHFFFAOYSA-N,3,1,0.443,87,173,460.885,3.322,5,0.337,0.61,1.0,0.5837416900829279,0.6315708313343842,0.3552275375231307,0.30616475909807417,0.46917620450962916
EOS-3-44595,Cc1ocnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)ccn1,MYRIFTGNPHCMRZ-UHFFFAOYSA-N,3,1,0.595,59,805,453.289,5.036,5,0.368,0.71,1.0,0.9054125830991707,0.9141508464121719,0.7568963744774175,0.7789390720307039,0.8388497190048659
EOS-3-44596,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nn2C)c1,OTWUXRWURQGNNP-UHFFFAOYSA-N,3,1,0.423,95,493,464.892,3.704,5,0.353,0.62,0.995,0.4094390377630046,0.3825217599890343,0.49234973613871563,0.48580460557878147,0.442528784867384
EOS-3-44597,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5ncn(C)n5)c4)n23)c1,DDIXIVLOKMRVKF-UHFFFAOYSA-N,3,1,0.534,37,125,464.892,3.704,5,0.353,0.62,0.913,0.6983243095058598,0.7933572064971558,0.47494174491124663,0.48263484339661433,0.6123145260777192
EOS-3-44598,Fc1cccc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1F,QYMYYBLLZVPUNN-UHFFFAOYSA-N,3,1,0.325,30,93,452.424,5.454,6,0.354,0.79,1.0,0.35084983894181343,0.46438729353711194,0.8465835103831129,0.8755825508875335,0.634350798437393
EOS-3-44599,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)n4)n23)cn1,SENBVWORJRUAOK-UHFFFAOYSA-N,3,1,0.402,31,814,431.435,2.446,5,0.377,0.52,0.785,0.49966588993214994,0.4015060653827702,0.17278630662737304,0.12943766705503393,0.3008489822493318
EOS-3-44600,CCn1ccnc1-c1cncc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,QIFARBXZYAAUED-UHFFFAOYSA-N,3,1,0.467,2,422,451.412,4.066,5,0.362,0.6,1.0,0.5725361524227264,0.5366664382153382,0.8387105064765952,0.7879686107874717,0.6839704269755329
EOS-3-44601,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CNCC5C(F)F)nn4)n23)s1,SIOUFCYEWGGYEO-UHFFFAOYSA-N,3,1,0.264,63,792,471.453,1.045,5,0.439,0.48,0.153,0.08364745390994449,0.05255808375025701,0.023396271674319787,0.03045541772325406,0.047514306764443834
EOS-3-44602,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nc(C)ns5)ncn4)n23)cn1,QYKKNGIZOCXZIW-UHFFFAOYSA-N,3,1,0.462,7,354,417.458,2.691,5,0.425,0.63,1.0,0.37400623672126654,0.3681978616955658,0.04318586800082243,0.027739702556370364,0.2032824172435063
EOS-3-44603,Cn1nnc(-c2cc(F)c(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cn2)n1,SNHRIMJYMLAFDW-UHFFFAOYSA-N,3,1,0.373,63,306,488.462,2.138,6,0.385,0.72,0.929,0.20706257281886095,0.23832328147488177,0.09660921115756288,0.1716726064012062,0.17841691796312795
EOS-3-44604,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4Cl)n23)nn1,RLCXCWIMDLVVLA-UHFFFAOYSA-N,3,1,0.424,7,242,453.253,2.714,5,0.366,0.56,1.0,0.5509132341854568,0.6365310808032348,0.12128195462956617,0.1990096634911932,0.3769339832773628
EOS-3-44605,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnn5)n4)n23)cn1,GBRZIPSQMOEESS-UHFFFAOYSA-N,3,1,0.409,55,283,417.82,2.666,5,0.397,0.59,0.996,0.5780446850798437,0.7806610239188541,0.20615447878829415,0.2518161880611336,0.45416909396203137
EOS-3-44606,Cc1nc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(-c2ccccc2)o1,CHIYTTLPEJYCOU-UHFFFAOYSA-N,3,1,0.341,93,695,430.471,5.484,6,0.368,0.8,1.0,0.15713453498732094,0.1237235282023165,0.5170910150092523,0.544976355287506,0.33573135837159895
EOS-3-44607,O=c1ccn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)c(Cl)c5)n34)c2)cn1,ZHSSTFGLHQTORB-UHFFFAOYSA-N,3,1,0.326,3,192,478.903,4.115,6,0.375,0.69,1.0,0.3171732574874923,0.3293896922760606,0.6528939072030704,0.6836234665204578,0.4957700808717702
EOS-3-44608,c1cncc(-c2nccnc2-c2nnc3cncc(OCc4cnc(-c5cncs5)cn4)n23)c1,VEZNOJRMBTZOGR-UHFFFAOYSA-N,3,1,0.411,80,277,466.49,3.136,6,0.361,0.64,1.0,0.3487081077376465,0.27920464670002054,0.09661777808237955,0.10056713042286342,0.20627441573572752
EOS-3-44609,COC(=O)c1ccc(-c2nnc3cncc(-c4n[nH]c(-c5cncc(C)n5)n4)n23)cc1,IXFYOSPGVXEQDS-UHFFFAOYSA-N,3,1,0.304,74,333,413.401,2.128,5,0.439,0.69,0.737,0.09806558837639641,0.12373209512713317,0.0672246590363923,0.032468645055171,0.08037274689877322
EOS-3-44610,Cc1cc(-c2nnc3cncc(OCc4cc(C(F)F)ncn4)n23)ccc1-c1cnnn1C,QORWGWWHQXVHPI-UHFFFAOYSA-N,3,1,0.448,36,677,449.425,3.202,5,0.389,0.54,0.798,0.3297752038928106,0.39640874511685287,0.5673360290590089,0.41703790007538893,0.4276394695360154
EOS-3-44611,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)o1,YRGSVEZTHFDOAW-UHFFFAOYSA-N,3,1,0.563,91,655,449.873,5.169,5,0.356,0.73,1.0,0.9039305051058872,0.8811767527928175,0.8576776780206977,0.847945651428963,0.8726826468370913
EOS-3-44612,CCCc1ncc(COc2cncc3nnc(-c4cncc(-c5ccc(F)nc5)c4)n23)nn1,XPQBGTNGKMYDOD-UHFFFAOYSA-N,3,1,0.392,92,36,443.446,3.104,5,0.35,0.57,1.0,0.5071105475978342,0.5793040230278939,0.12647351106846685,0.1479165238845864,0.3402011513946953
EOS-3-44613,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5ncn(-c6cccs6)n5)n34)c2)ccn1,OWJWKBRVCSMIKR-UHFFFAOYSA-N,3,1,0.356,18,160,471.481,3.609,6,0.339,0.67,0.968,0.23997669796449866,0.24370331025974917,0.2593550818998012,0.27875916660955385,0.25544856418340073
EOS-3-44614,Fc1cnc(-c2nnc3cncc(OCc4cnnc(-c5ccc(F)nc5)c4)n23)nc1,WSHLZMXKEDXDJH-UHFFFAOYSA-N,3,1,0.402,55,382,419.355,2.29,5,0.396,0.54,0.744,0.6894147076965252,0.4909533273935988,0.3700311836063327,0.3890069220752519,0.4848515351929271
EOS-3-44615,Cc1nnc(-c2cc(Cc3cncc4nnc(-c5ncncc5-c5cnccn5)n34)ccc2F)s1,WJOCRCIAUJKCPE-UHFFFAOYSA-N,3,1,0.284,86,596,482.508,3.595,6,0.363,0.7,0.979,0.2070711397436776,0.21292234939346172,0.18882358988417516,0.2313669385237475,0.21004600438626547
EOS-3-44616,Cn1cnnc1-c1ccc(COc2cncc3nnc(-c4c(F)ccc(Cl)c4Cl)n23)nc1,VEGYTVQTWIYSHO-UHFFFAOYSA-N,3,1,0.524,36,877,471.283,4.007,5,0.358,0.65,1.0,0.5982454937975464,0.7635614419847851,0.6667123569323555,0.7383575491741484,0.691719210472209
EOS-3-44617,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)nc5)n34)ncn2)nc1,WEPIZVSMBLLJHH-UHFFFAOYSA-N,3,1,0.434,27,354,473.403,3.09,5,0.347,0.64,1.0,0.6408316770612021,0.67521074635049,0.7503169762182167,0.6460917688986362,0.6781127921321363
EOS-3-44618,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ccc(C(F)F)nn3)n12,FRQLLSLDSNDKQZ-UHFFFAOYSA-N,3,1,0.5,4,820,455.425,4.361,5,0.376,0.65,1.0,0.6894232746213419,0.7765489000068535,0.7526214789939003,0.6921818244123089,0.727693869508601
EOS-3-44619,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cnc(-c6ncon6)cn5)n34)c2)nn1,NLARZKBMSWXFQD-UHFFFAOYSA-N,3,1,0.42,80,34,465.437,2.371,6,0.354,0.58,1.0,0.4279178945925571,0.2949420875882393,0.07373552189705983,0.060585292303474744,0.21429519909533273
EOS-3-44620,Clc1cncc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)nn2)n1,CCPWZPUPJCLQNZ-UHFFFAOYSA-N,3,1,0.304,86,953,454.845,2.334,6,0.39,0.49,0.318,0.0007281886094167637,0.05631896374477417,0.04641559865670619,0.10689808786238092,0.052590209718319514
EOS-3-44621,CCCn1nc(-c2nc(C)nn2C)cc1-c1cncc2nnc(-c3cnc(C)nc3)n12,UADYKGJVUVRSLX-UHFFFAOYSA-N,3,1,0.25,50,974,415.465,2.267,5,0.429,0.63,0.884,0.01638852717428552,0.005123021040367349,0.00297272291138373,0.0007881570831334384,0.00631810705229251
EOS-3-44622,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)nc1,LDDYHMQVCNAWQB-UHFFFAOYSA-N,3,1,0.522,11,275,463.328,5.177,5,0.346,0.72,1.0,0.8197947364813927,0.8586714412994312,0.7779624426016037,0.8463093687889796,0.8256844972928518
EOS-3-44623,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccc(F)nc5)cn4)n23)cc1,INEOPYBSVLMPTO-UHFFFAOYSA-N,3,1,0.562,1,744,412.428,4.275,5,0.401,0.79,1.0,0.7818346926187376,0.7806695908436707,0.7929202933315057,0.7303132067712974,0.771434445891303
EOS-3-44624,Cn1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cc1=O,XYTUBXMTFMUBPO-UHFFFAOYSA-N,3,1,0.642,59,11,480.862,4.063,5,0.377,0.68,1.0,0.829920841614694,0.7050750462613941,0.9066462202727709,0.9061579055582208,0.83695000342677
EOS-3-44625,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccccc5)n34)ncn2)nc(C)n1,DHCIHYTVSRJWGF-UHFFFAOYSA-N,3,1,0.494,4,463,410.441,3.234,5,0.435,0.71,1.0,0.4797477897333973,0.36317764375299844,0.1759646357343568,0.12944623397985058,0.2870840758001508
EOS-3-44626,COc1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccc1-c1cscn1,GMLPHLGDRQRCQZ-UHFFFAOYSA-N,3,1,0.462,97,383,452.446,4.176,5,0.357,0.62,1.0,0.9054211500239874,0.7891251456377218,0.8076725378658077,0.7005688438078267,0.8006969193338359
EOS-3-44627,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)nc2F)nc1,DLCPYRSYAGPMHV-UHFFFAOYSA-N,3,1,0.422,51,775,467.827,2.986,5,0.347,0.56,1.0,0.790076074292372,0.797272291138373,0.252450140497567,0.33417003632376124,0.5434921355630183
EOS-3-44628,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cnn2)cc1F,IPBWWCIAVIBVLK-UHFFFAOYSA-N,3,1,0.49,37,482,466.839,3.591,5,0.374,0.54,1.0,0.834872524158728,0.9060379686107874,0.6640394763895552,0.7383661160989651,0.7858290213145089
EOS-3-44629,Cc1ccnc(CCOc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)n1,DFXUJFXJAXPRDG-UHFFFAOYSA-N,3,1,0.417,75,359,411.429,2.363,5,0.415,0.73,1.0,0.4161126721951888,0.294950654513056,0.04465937906928929,0.04028168048797204,0.19900109656637655
EOS-3-44630,Clc1cc(-c2nnc3cncc(OCc4ccns4)n23)cc(-c2cnccn2)n1,LFLSAWWZOFRGPJ-UHFFFAOYSA-N,3,1,0.477,55,540,422.861,3.332,5,0.397,0.57,1.0,0.5279367418271538,0.5793125899527106,0.2665341648961689,0.31235864574052497,0.42153553560413953
EOS-3-44631,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cnn2)cn1,VWXVKJHEZOHAOD-UHFFFAOYSA-N,3,1,0.458,87,954,445.874,3.017,5,0.363,0.54,0.998,0.5534661777808237,0.6266705503392502,0.1922503598108423,0.21956171612637929,0.3979872010143239
EOS-3-44632,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cncc(-c4cncs4)c3)n12,ZAYFOLAIEGDHKQ-UHFFFAOYSA-N,3,1,0.623,84,884,452.902,4.724,5,0.371,0.66,1.0,0.7616852854499349,0.7850644232746213,0.780275512302104,0.8146203138921253,0.7854113837296963
EOS-3-44633,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)cn3)n12,FLQJPMAQTPBKBB-UHFFFAOYSA-N,3,1,0.549,84,749,451.914,5.329,5,0.349,0.76,1.0,0.7845418408608046,0.8288928106366938,0.8354550750462614,0.8729353711191831,0.8304562744157357
EOS-3-44634,C#Cc1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c2)cn1,RJQYOPMRRRSBPL-UHFFFAOYSA-N,3,1,0.552,27,988,473.418,4.222,5,0.353,0.66,1.0,0.8755225824138168,0.8645483517236653,0.9536529367418272,0.869817010485916,0.8908852203413063
EOS-3-44635,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cc(F)cc(F)c5F)o4)n23)cc1,ZUUJMPCHOQMTNC-UHFFFAOYSA-N,3,1,0.35,3,642,475.394,3.721,6,0.355,0.64,1.0,0.3218336645877596,0.4730484545267631,0.602537523130697,0.6430505105887191,0.5101175382084847
EOS-3-44636,Cc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cc(-c2ccncc2)n1,YCPNTZVKUHSGRJ-UHFFFAOYSA-N,3,1,0.464,13,724,450.836,5.281,5,0.37,0.7,1.0,0.7616938523747515,0.7806781577684874,0.9189311904598725,0.9106898087862381,0.8429982523473374
EOS-3-44637,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)ccc1-c1cncc(C)n1,GWQHPHJIMVVOKU-UHFFFAOYSA-N,3,1,0.374,7,690,459.901,3.537,5,0.351,0.59,0.951,0.43696456719895826,0.49096189431841547,0.1536049619628538,0.14302480981426907,0.30613905832362415
EOS-3-44638,Fc1cc(-c2nnc3cncc(OCc4cnnc(-c5ccccc5)c4)n23)ccc1Cl,GNEFOHLHKRBKBX-UHFFFAOYSA-N,3,1,0.568,43,433,432.846,4.62,5,0.403,0.59,1.0,0.969827290795696,0.9774689877321636,0.8665358782811322,0.8907802755123021,0.9261531080803235
EOS-3-44639,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)ccn2)nc1,SNIUBAUSDGDUID-UHFFFAOYSA-N,3,1,0.54,75,583,465.851,4.196,5,0.347,0.63,1.0,0.9464652868206429,0.9141594133369886,0.7733020355013365,0.8037060516756905,0.8594081968336647
EOS-3-44640,Fc1cc(-c2ncccc2-c2nnc3cncc(-c4ccccc4F)n23)ccc1Cl,JAQRMPAZEQKXAE-UHFFFAOYSA-N,3,1,0.384,45,533,419.822,5.452,5,0.39,0.83,1.0,0.38541738057706804,0.5894472620108286,0.9589644301281612,0.9790367349736139,0.7282164519224179
EOS-3-44641,OCc1cnc(-c2cnnc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cn1,QSWHWLXUCUBERS-UHFFFAOYSA-N,3,1,0.411,53,587,452.887,2.825,5,0.414,0.52,0.454,0.4007607429237201,0.44226749366047563,0.2740216571859365,0.2965184017545062,0.3533920738811596
EOS-3-44642,Clc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)s5)n34)nc2)ccn1,VSCZJMZLWFXXIN-UHFFFAOYSA-N,3,1,0.268,76,653,458.894,4.68,6,0.35,0.68,0.995,0.20985539030909464,0.382530326913851,0.42138989788225617,0.5049174148447674,0.37967325748749226
EOS-3-44643,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(Cl)cn5)cc4)n23)cc1,WTCLAAJSEMOGEI-UHFFFAOYSA-N,3,1,0.413,62,319,412.884,4.801,5,0.424,0.79,1.0,0.3785724076485505,0.42006202453567265,0.7710660681241861,0.7833938729353711,0.5882735933109451
EOS-3-44644,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5ncc(Cl)cn5)c4)n23)cn1,GIIRFKCUKODDGH-UHFFFAOYSA-N,3,1,0.467,55,930,465.304,4.233,5,0.355,0.61,1.0,0.7845504077856212,0.8016328558700568,0.502758549790967,0.5380799808100885,0.6567554485641834
EOS-3-44645,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncc(F)cn1,UVLYKWTYGFSHQR-UHFFFAOYSA-N,3,1,0.396,49,896,479.863,2.856,5,0.344,0.64,0.991,0.7558426427249675,0.6082687958330477,0.14153416489616888,0.14560345418408607,0.4128122644095675
EOS-3-44646,Fc1cnc(-c2cnc(Cc3cncc4nnc(-c5ccc(Cl)nc5)n34)cc2Cl)cn1,ZSMHJDFIITXSTN-UHFFFAOYSA-N,3,1,0.383,85,674,453.268,4.075,5,0.379,0.54,1.0,0.37858097457336715,0.5412583099170721,0.717120142553629,0.814628880816942,0.6128970769652525
EOS-3-44647,FC(F)(F)c1cc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)n(-c2ccccc2)n1,GMHXBIBXZFSADN-UHFFFAOYSA-N,3,1,0.39,14,476,455.831,4.635,5,0.369,0.69,0.951,0.1458176273045028,0.3916626687684189,0.9246367623877733,0.8949523678980194,0.5892673565896787
EOS-3-44648,Cc1ccc(COc2cncc3nnc(-c4cc(-c5nccn5C)cc(F)n4)n23)nn1,UVSQRIHSRMJBFD-UHFFFAOYSA-N,3,1,0.409,53,587,417.408,2.403,5,0.401,0.6,1.0,0.3417003632376122,0.2949592214378727,0.1599359194023713,0.12542834624083338,0.23050596257967237
EOS-3-44649,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ncn2)nn1,WQZPKYLAAQUKSH-UHFFFAOYSA-N,3,1,0.383,31,296,412.417,1.758,5,0.406,0.67,0.752,0.4509800561990268,0.1895689123432253,0.04466794599410596,0.03568980878623809,0.18022668083064902
EOS-3-44650,CCc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1nc(C)n[nH]1,JNSIIMIAWLVZMJ-UHFFFAOYSA-N,3,1,0.426,31,690,445.462,2.998,5,0.38,0.58,1.0,0.5584521280241245,0.505028784867384,0.1182663970940991,0.09857103694057981,0.32007958673154685
EOS-3-44651,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)nn4)n23)c(F)n1,RXTDSJUNYNJJES-UHFFFAOYSA-N,3,1,0.398,36,105,439.802,1.538,5,0.371,0.51,1.0,0.4369731341237749,0.5275854979096704,0.03729182372695497,0.06197313412377493,0.2659558974710438
EOS-3-44652,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)cn4)n23)cc1,LVJAVPGUGAHRCN-UHFFFAOYSA-N,3,1,0.321,64,449,481.882,4.56,6,0.36,0.79,1.0,0.3120673702967583,0.4289459255705572,0.4856504009320814,0.6108817079021315,0.45938635117538207
EOS-3-44653,Clc1cccnc1Oc1cncc2nnc(-c3cccc(-c4cnn(-c5ccccc5)n4)c3)n12,FFZKTZMYQALVNZ-UHFFFAOYSA-N,3,1,0.367,77,177,466.892,4.88,6,0.357,0.75,1.0,0.40076930984853676,0.4336320334452745,0.5063309574395175,0.5449849222123226,0.4714293057364129
EOS-3-44654,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1cncs1,VMGXMFYZSPAEMT-UHFFFAOYSA-N,3,1,0.432,95,694,424.877,3.276,5,0.427,0.55,0.993,0.2853385648687547,0.2535895414981838,0.24160441367966554,0.29350284421903916,0.2685088410664108
EOS-3-44655,Fc1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cnc1F,CKPPLNUDRPBHQY-UHFFFAOYSA-N,3,1,0.386,96,243,437.36,4.526,5,0.304,0.73,0.236,0.36699849222123226,0.6032657117401138,0.9384209444177918,0.9236515660338565,0.7080841786032486
EOS-3-44656,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cscn1,IQUKBYLJMCQBNQ-UHFFFAOYSA-N,3,1,0.451,49,501,449.471,3.474,5,0.348,0.57,1.0,0.6804622712631074,0.555059625796724,0.3069272154067576,0.22859982180796382,0.4427622335686382
EOS-3-44657,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4Cl)n23)cc1F,NCACFVKVULIXMI-UHFFFAOYSA-N,3,1,0.5,13,145,455.28,5.43,5,0.362,0.77,1.0,0.7584983894181344,0.768101912137619,0.9463539167980262,0.9578678637516277,0.8577055205263519
EOS-3-44658,FC(F)c1cc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)n4)n23)ccc1Cl,OMJGTEMSPAABCI-UHFFFAOYSA-N,3,1,0.5,24,343,465.851,4.813,5,0.355,0.71,1.0,0.7617024192995683,0.9101757932972381,0.8760708656020835,0.8600250154204647,0.8519935234048387
EOS-3-44659,COc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cn(C)nn6)cc5)n34)c2)cs1,BMFYOJBLTVICIM-UHFFFAOYSA-N,3,1,0.34,9,764,466.53,4.386,6,0.372,0.65,1.0,0.1876499211842917,0.11099307792474813,0.3363289013775615,0.2757607429237201,0.22768316085258034
EOS-3-44660,Cc1cc(-c2nnc3cncc(OCc4ccnc(-c5cc(Cl)ncn5)c4)n23)ccc1Cl,APCNHISCKCLYRC-UHFFFAOYSA-N,3,1,0.506,24,97,464.316,4.838,5,0.344,0.71,1.0,0.8755311493386334,0.8967599890343362,0.8055308066616408,0.8167791789459256,0.848650280995134
EOS-3-44661,Clc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ncn4)n23)n1,VPZJAECEMKPVAY-UHFFFAOYSA-N,3,1,0.406,44,130,465.304,3.967,5,0.371,0.58,0.511,0.6680059625796724,0.6512661914879035,0.2779196079775204,0.4361250085669248,0.5083291926530052
EOS-3-44662,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccnc(F)c5)n4)n23)nc1,DBZFJYUKIUVITM-UHFFFAOYSA-N,3,1,0.268,10,952,467.428,2.434,6,0.348,0.58,1.0,0.07329860873140977,0.2331317250359811,0.13237612226715098,0.1317336029059009,0.14263501473511067
EOS-3-44663,N=c1[nH]c(-c2nccnc2-c2cncc3nnc(-c4ccccc4Cl)n23)ccc1F,QZAFLVFMWXJYFG-UHFFFAOYSA-N,3,1,0.413,45,140,418.823,3.515,5,0.466,0.61,0.356,0.18204715235419094,0.32492632444657665,0.5865259406483448,0.7032245905009937,0.4491810019875266
EOS-3-44664,C#Cc1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)ncn2)cn1,KJHBCNGDOOMBIF-UHFFFAOYSA-N,3,1,0.297,94,566,471.459,3.888,6,0.357,0.63,0.999,0.23156397779453086,0.33405866630114456,0.6025460900555136,0.604550750462614,0.44317987115345076
EOS-3-44665,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)cc2)nc1,LSQIXPHPGPSUFV-UHFFFAOYSA-N,3,1,0.348,32,479,417.432,4.57,6,0.415,0.66,1.0,0.13254746076348434,0.13398670413268454,0.5865345075731615,0.5805547940511274,0.3584058666301144
EOS-3-44666,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cocn5)cc4F)n23)nc1,LLZPUMYMNUMSQH-UHFFFAOYSA-N,3,1,0.321,32,20,453.412,4.849,6,0.377,0.63,1.0,0.29374271811390584,0.4380868343499417,0.7825800150777876,0.8100798437392913,0.5811223528202316
EOS-3-44667,COc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ncc1-c1cnn(C)c1,ZYUBHBIGIVGQHV-UHFFFAOYSA-N,3,1,0.31,74,453,485.483,2.689,6,0.389,0.71,1.0,0.2373552189705983,0.25860975944075115,0.11233808512096498,0.11151566033856487,0.17995468096771983
EOS-3-44668,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)nc5)n34)cc2)n1C,TUQBPSBGJDLIJD-UHFFFAOYSA-N,3,1,0.321,38,57,462.492,4.763,6,0.351,0.68,0.999,0.24527962442601603,0.29496778836268933,0.6501610581865533,0.5926941265163457,0.4457756493729011
EOS-3-44669,Fc1ccc(-c2cnccc2COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1,RLVJFIOWGZWSGI-UHFFFAOYSA-N,3,1,0.615,1,326,447.42,5.509,5,0.344,0.84,1.0,0.9868926050304982,0.9592300047974779,0.982514906449181,0.9766808306490302,0.9763295867315469
EOS-3-44670,Cc1cc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)ccc1-c1cnn(C)c1,AYAZIUZLMFOYAE-UHFFFAOYSA-N,3,1,0.478,37,847,464.892,3.704,5,0.353,0.64,1.0,0.5926769926667124,0.6179408539510657,0.47850558563498047,0.4487269549722432,0.5344625968062504
EOS-3-44671,N=c1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5F)n34)cn2)c[nH]1,HTOYXSZEMKLWOC-UHFFFAOYSA-N,3,1,0.363,50,845,428.391,1.356,5,0.389,0.69,1.0,0.12114488383249948,0.22328832842162977,0.29243197861695563,0.21957028305119594,0.21410886848057023
EOS-3-44672,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)cs1,IBVUCADWAMWKCQ-UHFFFAOYSA-N,3,1,0.488,13,145,438.875,5.203,5,0.383,0.77,1.0,0.6496299088479199,0.7891337125625385,0.7199986292920293,0.7409875950928655,0.7249374614488382
EOS-3-44673,CC#Cc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)n2)s1,FKBFJRDUBAZADL-UHFFFAOYSA-N,3,1,0.237,99,421,463.49,2.719,6,0.363,0.6,0.656,0.020200808717702693,0.06430333767390857,0.06132204783770818,0.07039442121855939,0.05405515386196971
EOS-3-44674,CNC(=O)c1ccc(-c2nnc3cncc(-c4sc(C)nc4-c4cnc(=N)[nH]c4)n23)cc1F,XROZACQXIFYCBA-UHFFFAOYSA-N,3,1,0.312,74,413,461.486,2.591,5,0.376,0.69,1.0,0.0815656911794942,0.2032417243506271,0.17597320265917346,0.1185319717634158,0.14482814748817763
EOS-3-44675,Cc1ncsc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)s4)n23)c1,WHSSIZCJQLRNJO-UHFFFAOYSA-N,3,1,0.465,46,122,440.941,4.912,5,0.386,0.72,1.0,0.3921081488588856,0.4289544924953739,0.3475944075114797,0.36961140429031597,0.3845671132890138
EOS-3-44676,COCc1cccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)n1,ULNWAUUQDCEMAZ-UHFFFAOYSA-N,3,1,0.49,75,583,473.924,4.065,5,0.332,0.69,1.0,0.5807261325474607,0.46868788979507914,0.4992032759920499,0.4643701596874786,0.5032468645055171
EOS-3-44677,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)s1,DEQXDOBLFXLTNR-UHFFFAOYSA-N,3,1,0.304,76,368,442.533,4.439,6,0.401,0.6,1.0,0.03138064560345418,0.09792851757932973,0.24161298060448222,0.24008806798711535,0.15275255294359535
EOS-3-44678,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nc(F)cs5)n34)ncn2)cn1,NEGVKMVWZZQWMS-UHFFFAOYSA-N,3,1,0.418,46,395,424.396,2.957,5,0.397,0.59,0.995,0.4437410047289425,0.46869645671989585,0.34363648824617915,0.3533856486875471,0.40236489959564115
EOS-3-44679,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc(-c5cccnn5)c(Cl)c4)n23)cc1,LLBVBAMOGAYDQL-UHFFFAOYSA-N,3,1,0.581,89,398,486.923,3.278,5,0.372,0.77,1.0,0.6621033513809883,0.477640326228497,0.33633746830237815,0.2787677335343705,0.4387122198615585
EOS-3-44680,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)c(F)c4F)n23)cc1,XJGDRQJYNFAHRA-UHFFFAOYSA-N,3,1,0.33,96,961,487.445,4.225,6,0.373,0.86,1.0,0.1820557192790076,0.24871496127749984,0.5994105955726132,0.6977760263175931,0.43198932561167847
EOS-3-44681,Fc1ccc(Cl)cc1Oc1cncc2nnc(-c3cc(-c4cncc(Cl)c4)ccn3)n12,CNRHCGPDDVWMIW-UHFFFAOYSA-N,3,1,0.402,13,110,453.264,5.487,5,0.358,0.79,1.0,0.734836543074498,0.7891422794873553,0.9336320334452745,0.9591186347748613,0.8541823726954972
EOS-3-44682,Cc1cnc(-c2ncccc2-c2nnc3cncc(OCc4cnc(C)cn4)n23)nc1,MHFFUYMFZROIOH-UHFFFAOYSA-N,3,1,0.46,7,535,411.429,2.629,5,0.43,0.7,1.0,0.3014786512233569,0.20802206839832774,0.06723322596120897,0.043999725858405864,0.15518341786032486
EOS-3-44683,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccnc(-c4cncs4)c3)n12,LGNBWAMHAOCUMC-UHFFFAOYSA-N,3,1,0.482,75,183,439.863,4.076,5,0.381,0.62,1.0,0.7407905558220821,0.7278802001233637,0.6884038105681585,0.6950603111507093,0.7130337194160784
EOS-3-44684,CCn1c(C)nc(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,XUHCYPUNDPPQPZ-UHFFFAOYSA-N,3,1,0.365,96,336,449.44,5.122,5,0.372,0.72,0.237,0.23451956685628128,0.42896305942019053,0.6830066479336577,0.6836320334452745,0.507530326913851
EOS-3-44685,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5ncccc5F)cnn4)n23)c1,HRGRGCMXHCTCBT-UHFFFAOYSA-N,3,1,0.506,19,752,465.851,4.196,5,0.371,0.58,1.0,0.7730964293057364,0.7722911383729696,0.7825885820026044,0.8425656226440956,0.7926354430813516
EOS-3-44686,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccccn4)n23)cnn1,ALWNJWPZTGKDKB-UHFFFAOYSA-N,3,1,0.511,31,778,413.445,2.481,5,0.4,0.67,0.999,0.31718182441230897,0.1339952710575012,0.089978411349462,0.07434377355904324,0.15387482009457884
EOS-3-44687,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1-c1cccc(F)c1,ADPPTVCPGMPZQP-UHFFFAOYSA-N,3,1,0.467,34,570,454.387,4.327,5,0.292,0.77,0.992,0.5430573641285724,0.5366750051401549,0.9458399013090261,0.945197381947776,0.7426924131313823
EOS-3-44688,OCc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)s1,NOZGZLZJUIYAME-UHFFFAOYSA-N,3,1,0.65,57,11,467.913,4.779,5,0.387,0.75,1.0,0.8774929751216504,0.7972808580631896,0.8482883284216298,0.84985607566308,0.8432295593173875
EOS-3-44689,Fc1ccc(-c2nnc3cncc(OCc4nc(C(F)(F)F)ns4)n23)c(F)c1,RLODOGKCKVGPRZ-UHFFFAOYSA-N,3,1,0.57,68,255,414.319,3.519,4,0.476,0.68,1.0,0.677455280652457,0.8134295113426084,0.8622781166472483,0.810088410664108,0.7908128298266054
EOS-3-44691,Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)s1,HVZNAAVKMHKTRI-UHFFFAOYSA-N,3,1,0.568,13,995,438.875,5.203,5,0.383,0.76,1.0,0.7528870536632171,0.7001404975669934,0.7503255431430333,0.7763004591871702,0.7449133883901035
EOS-3-44692,Cc1ccc(-c2nnc3cncc(-c4nc(C5(F)CCOC(F)(F)C5)nn4C)n23)nn1,AHHSLNHZNQUWMW-UHFFFAOYSA-N,3,1,0.245,78,792,431.382,2.253,5,0.486,0.5,0.134,0.11598759509286546,0.18957747926804194,0.05162428894524022,0.1505208690288534,0.12692755808375025
EOS-3-44693,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nnc2Cl)nc1,IXQMSKUFTWCKIX-UHFFFAOYSA-N,3,1,0.451,18,65,467.827,2.986,5,0.347,0.57,1.0,0.8755397162634501,0.8556044822150641,0.3740576382701665,0.4519652525529436,0.6392917723254061
EOS-3-44694,CCn1nc(C)nc1-c1cc(COc2cncc3nnc(-c4cncn4C)n23)n(C)n1,DMCOGRNUEZKIOS-UHFFFAOYSA-N,3,1,0.337,31,105,419.453,1.424,5,0.405,0.6,0.999,0.035038722500171336,0.031971763415804266,0.003229730655883764,0.0006939209101500926,0.017733534370502367
EOS-3-44695,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)nc1Cl,UPIOHFFSEKDDIF-UHFFFAOYSA-N,3,1,0.402,13,971,456.268,4.825,5,0.361,0.7,0.999,0.5641234322527585,0.5986395723391131,0.8418974025083956,0.8783496676033171,0.7207525186758962
EOS-3-44696,Fc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)ncn1,SCAPDBGTBIGKPS-UHFFFAOYSA-N,3,1,0.534,59,675,468.279,4.668,5,0.346,0.71,1.0,0.8975567130422863,0.9522565279967103,0.8635974230690151,0.8907888424371188,0.9010498766362827
EOS-3-44697,Cc1cc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)cn5)n34)cn2)cnn1,XVPFCCFDEVDKLX-UHFFFAOYSA-N,3,1,0.366,85,674,415.848,2.986,5,0.44,0.57,1.0,0.2452881913508327,0.3249348913713933,0.25936364882461793,0.2965269686793229,0.2815284250565417
EOS-3-44698,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ccc(Cl)nn5)n4)n23)nc1,JJRUXTJAASUEGI-UHFFFAOYSA-N,3,1,0.258,99,892,472.835,2.474,6,0.376,0.55,0.216,0.040915632924405455,0.2080306353231444,0.12648207799328354,0.24318072784593242,0.15465226852169145
EOS-3-44699,c1ccc(Oc2ncccc2-c2nnc3cncc(-c4ccc(-c5cnco5)cn4)n23)cc1,OLJNYUDLRAZTNW-UHFFFAOYSA-N,3,1,0.375,30,20,433.431,4.696,6,0.385,0.61,1.0,0.27197416215475295,0.12374066205194983,0.4785141525597971,0.44873552189705984,0.33074112466588995
EOS-3-44700,CC(C)(O)c1cnc(Cc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)c(F)c4)n23)cn1,GKDZVMQMXWIPFO-UHFFFAOYSA-N,3,1,0.356,14,81,459.46,3.74,5,0.4,0.53,1.0,0.5303440477006374,0.5692121855938592,0.8284044959221438,0.7059745733671441,0.6584838256459462
EOS-3-44701,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5cccnc5F)ncn4)n23)n1,LHOLCRDKGMDONP-UHFFFAOYSA-N,3,1,0.392,31,194,463.864,3.156,5,0.35,0.58,0.969,0.665101775066822,0.5941762045096293,0.19557432663970942,0.25182475498595025,0.42666926530052773
EOS-3-44702,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccon5)nc4Cl)n23)c(F)c1,WRZHEZHDSMEKBQ-UHFFFAOYSA-N,3,1,0.5,24,28,441.785,3.747,5,0.38,0.59,0.999,0.6153022411075321,0.6266791172640669,0.647333972997053,0.6977845932424097,0.6467749811527654
EOS-3-44703,COc1nc(-c2cccs2)ccc1-c1nnc2cncc(OCc3cccc(F)c3F)n12,HBWHRMKYHMOPLD-UHFFFAOYSA-N,3,1,0.5,24,910,451.458,4.781,5,0.37,0.65,0.999,0.8735179220067165,0.82504626139401,0.7710746350490028,0.7059831402919607,0.7939054896854225
EOS-3-44704,Cc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)nn1,JUMRCUTZFIBORV-UHFFFAOYSA-N,3,1,0.607,72,628,409.453,3.573,5,0.423,0.78,1.0,0.634929065862518,0.5602683160852581,0.31055959152902474,0.2670824480844356,0.44320985539030905
EOS-3-44705,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C(F)(F)F)cc5C)on4)n23)cn1,IJALEKNIGYHQEZ-UHFFFAOYSA-N,3,1,0.489,27,52,468.399,3.846,5,0.379,0.64,1.0,0.6349376327873346,0.6512747584127202,0.6967137276403262,0.4795507504626139,0.6156192173257488
EOS-3-44706,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)c(F)n4)n23)c1F,ONHKTQRXBRZLFY-UHFFFAOYSA-N,3,1,0.426,58,814,455.425,3.744,5,0.36,0.58,0.999,0.6741827153724899,0.6512833253375369,0.5928997327119457,0.6139829346857651,0.6330871770269344
EOS-3-44707,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)s1,PXDFWAKXSPVVPN-UHFFFAOYSA-N,3,1,0.544,53,778,417.458,2.425,5,0.41,0.62,1.0,0.4600609965046947,0.3150743609074087,0.04023027893907203,0.0427146871359057,0.21452008087177027
EOS-3-44708,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)cc1F,JZUAYLXUQRBQCI-UHFFFAOYSA-N,3,1,0.313,69,484,463.451,5.256,6,0.355,0.74,1.0,0.3171903913371256,0.43364060037009117,0.8772274004523336,0.8964858474402029,0.6311360598999383
EOS-3-44709,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c(F)c2)cs1,QHLXWHBLQRLRCI-UHFFFAOYSA-N,3,1,0.56,4,92,452.902,4.99,5,0.374,0.74,1.0,0.6265334795421835,0.785072990199438,0.722431635939963,0.7358645740524982,0.7174756699335207
EOS-3-44710,Cc1cnc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)cn1,CYYLYOYJSWFYNX-UHFFFAOYSA-N,3,1,0.287,86,957,451.425,3.808,6,0.368,0.54,1.0,0.2640411897745185,0.35355698718388046,0.3587999451716812,0.36650161058186553,0.3357249331779864
EOS-3-44712,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cc(F)cnn6)nn5)n34)cc2F)c1,MMXGJQGAZXKFEM-UHFFFAOYSA-N,3,1,0.408,3,474,484.405,3.58,6,0.37,0.68,1.0,0.3670070591460489,0.5941847714344459,0.5336337468302378,0.7089558632033446,0.5509453601535192
EOS-3-44713,Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4F)n23)s1,MLQCPXQKPCTLCP-UHFFFAOYSA-N,3,1,0.517,24,28,437.435,3.87,5,0.386,0.58,1.0,0.6953858542937427,0.6657014598039888,0.3889469536015352,0.38901548900006855,0.5347624391748338
EOS-3-44714,Cc1ccc(-c2ccc(F)c(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cc1F,LWBGYJYTQJMBHM-UHFFFAOYSA-N,3,1,0.558,88,222,461.447,5.201,5,0.348,0.77,1.0,0.9304879720375574,0.9379240627784251,0.959949626482078,0.9533702282228771,0.9454329723802344
EOS-3-44715,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)c1,CVIIUQQAABIULX-UHFFFAOYSA-N,3,1,0.435,46,160,434.822,3.41,5,0.306,0.69,1.0,0.6180350901240491,0.6315793982592008,0.5473922280858063,0.5611592762661914,0.589541498183812
EOS-3-44716,Cc1nc(=N)cc(-c2nnc3cncc(OCc4ccc(-c5nnc(C)s5)cn4)n23)[nH]1,SSPZQRMYHJKMIT-UHFFFAOYSA-N,3,1,0.417,53,677,432.473,2.103,5,0.43,0.61,0.726,0.15162600233020354,0.09793708450414639,0.03883387019395518,0.01634569255020218,0.07618566239462682
EOS-3-44717,CONC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(Cl)nnc5Cl)n4)n23)cc1,GHEYDPHRPDVSEL-UHFFFAOYSA-N,3,1,0.333,74,331,483.279,2.427,5,0.374,0.67,1.0,0.15429031594818723,0.16037283256802137,0.17911726406689055,0.2080049345486944,0.17544633678294838
EOS-3-44718,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)ccnc1Cl,PUXHAFHIGSKGTB-UHFFFAOYSA-N,3,1,0.523,58,698,453.89,4.119,5,0.357,0.63,1.0,0.7788705366321705,0.8919796449866356,0.5202265094921527,0.5416609553834556,0.6831844116236037
EOS-3-44719,Cc1ccc(-c2cccnn2)c(-c2nnc3cncc(-c4nc(C)nnc4-c4cccc(F)c4)n23)c1,AXLSWSSASHZZDU-UHFFFAOYSA-N,3,1,0.319,3,541,475.491,4.523,6,0.366,0.65,1.0,0.23157254471934755,0.32033445274484273,0.38895552052635185,0.4612946336782948,0.35053928791720923
EOS-3-44720,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)nc(=N)[nH]4)n23)n(C)n1,LLDBYQWMUQKBRJ-UHFFFAOYSA-N,3,1,0.35,53,662,432.423,1.816,5,0.432,0.61,0.994,0.2070797066684943,0.12733020355013364,0.14449832088273593,0.09857960386539648,0.14437195874169007
EOS-3-44721,Cc1cnc(-c2nc(C)n(C(C)C)c2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,JAQVSCPCKALGKA-UHFFFAOYSA-N,3,1,0.4,50,974,444.93,4.963,5,0.389,0.67,0.949,0.2640497566993352,0.41086114728257145,0.27792817490233707,0.2816119525735042,0.308612757864437
EOS-3-44722,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)n4)n23)c(Cl)n1,LJBWZJQWYNYLFP-UHFFFAOYSA-N,3,1,0.416,20,279,465.88,3.274,5,0.337,0.6,0.789,0.52522102666027,0.5138184497292851,0.21318792406277842,0.2431892947707491,0.37385417380577063
EOS-3-44723,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5cnc(-c6ccccn6)cn5)n34)s2)c1,DQHBFXVOXSNTIW-UHFFFAOYSA-N,3,1,0.33,76,541,469.921,4.482,6,0.372,0.65,1.0,0.0514700842985402,0.22329689534644645,0.19558289356452607,0.35021588650538005,0.2051414399287232
EOS-3-44724,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cccnc5F)ncn4)n23)c(C)n1,WWWSHHUHMXBWCS-UHFFFAOYSA-N,3,1,0.317,85,81,412.432,3.385,5,0.418,0.68,1.0,0.34170893016242887,0.32494345829621,0.32544033993557675,0.287368926050305,0.31986541361113013
EOS-3-44725,COC(C)(c1ccc(-c2cncc3nnc(-c4cnc(C(F)F)nc4)n23)cn1)c1c[nH]cn1,WOUAFJPNMBPWMF-UHFFFAOYSA-N,3,1,0.311,82,489,449.425,3.214,5,0.42,0.57,0.988,0.2989942430265232,0.31508292783222536,0.6913765334795422,0.4519738194777603,0.43935688095401276
EOS-3-44726,c1ccc(-n2cnc(-c3cc(-c4nnc5cncc(OCc6cccs6)n45)ncn3)n2)cc1,IZLLIGJDGNDEQH-UHFFFAOYSA-N,3,1,0.478,44,238,453.491,3.47,6,0.377,0.58,0.063,0.22909670344733055,0.145012336371736,0.1294719347543006,0.14303337673908573,0.16165358782811323
EOS-3-44727,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc(Cl)n2)cn1,BEFCYWXAENMZNS-UHFFFAOYSA-N,3,1,0.484,55,99,465.304,4.233,5,0.355,0.6,1.0,0.6651103419916387,0.6512918922623535,0.5800407785621273,0.6168100198752656,0.6283132581728463
EOS-3-44728,Cc1ccc(-c2cc(-c3nnc4cncc(COc5cccnc5)n34)nc(C)n2)nc1,KFXXEWTUDWRMTG-UHFFFAOYSA-N,3,1,0.337,85,330,410.441,3.234,5,0.435,0.73,1.0,0.2315811116441642,0.07159379069289287,0.17912583099170723,0.13394386950860118,0.15406115070934137
EOS-3-44729,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cn2)n(C)n1,MIKXEJZTECUCOS-UHFFFAOYSA-N,3,1,0.476,65,986,413.445,2.307,5,0.417,0.68,1.0,0.38542594750188475,0.27410732643410324,0.053680350901240494,0.034653210883421284,0.18696670893016246
EOS-3-44730,Cc1noc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5ccnc(Cl)c5)n34)cn2)n1,QXGRUZWYYTZHJP-UHFFFAOYSA-N,3,1,0.3,42,321,467.88,4.322,6,0.349,0.66,1.0,0.3042200671646906,0.35356555410869717,0.3105681584538414,0.3665101775066822,0.3337159893084778
EOS-3-44731,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)cn1,JROPTVHSSKXYRZ-UHFFFAOYSA-N,3,1,0.605,75,530,410.441,2.968,5,0.421,0.75,1.0,0.6009954766636968,0.3728668357206497,0.2700723048454527,0.20513501473511067,0.3622674079912275
EOS-3-44732,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5cn(C)cn5)c4)n23)c1F,DPGOTHYYLGIMCJ-UHFFFAOYSA-N,3,1,0.462,75,99,416.42,3.008,5,0.435,0.6,1.0,0.572544719347543,0.4958793091631828,0.4646528682064286,0.3502244534301967,0.47082533753683775
EOS-3-44733,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)s5)n34)cc2F)c1,LNQUHBLSNQWDST-UHFFFAOYSA-N,3,1,0.341,32,653,457.469,5.25,6,0.391,0.72,0.998,0.20708827359331095,0.4510143238982935,0.7639897882256186,0.8187153039544925,0.5602019224179289
EOS-3-44734,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc(-c2ccc(Cl)nn2)n1,FVSUHPKSVSZWRP-UHFFFAOYSA-N,3,1,0.46,55,97,469.267,4.063,5,0.355,0.6,0.998,0.842068741004729,0.9122232883284216,0.7093585086697279,0.7692670139126859,0.8082293879788911
EOS-3-44735,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccn(C)n5)n34)cc2)cn1,XNUONYLBVKHMGE-UHFFFAOYSA-N,3,1,0.5,15,320,412.457,2.912,5,0.423,0.69,1.0,0.4722945651428963,0.3631862106778151,0.19559146048934276,0.13600849838941814,0.29177018367486807
EOS-3-44736,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)cnn2)c1,VKAIKWRGLQSENU-UHFFFAOYSA-N,3,1,0.489,72,482,432.394,2.938,5,0.403,0.47,1.0,0.6774638475772736,0.7552515249126174,0.4646614351312453,0.5317061887464876,0.6072707490919059
EOS-3-44737,Cc1ncc(-c2cc(C#N)cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)n1C,GOOGZPGDYLWIEI-UHFFFAOYSA-N,3,1,0.436,27,69,472.459,4.284,5,0.363,0.68,1.0,0.707525186758961,0.5894558289356453,0.8636059899938319,0.7409961620176821,0.7253957919265301
EOS-3-44738,Cc1ccc(-c2cccc(-c3nnc4cncc(CCc5cccc(Cl)c5)n34)c2)cn1,CDDQZEZDHDHAKV-UHFFFAOYSA-N,3,1,0.448,79,886,425.923,5.6,5,0.367,0.85,1.0,0.3417174970872456,0.4776488931533137,0.8284130628469605,0.8565468439448976,0.6260815742581043
EOS-3-44739,Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)n1,XTGJUSZAHPJLHC-UHFFFAOYSA-N,3,1,0.466,1,92,412.428,4.275,5,0.429,0.79,1.0,0.537882941539305,0.5366835720649715,0.6750908094030567,0.6544359536700706,0.601023319169351
EOS-3-44740,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cccc(Cl)n1,AUOMMUYFDZOVHM-UHFFFAOYSA-N,3,1,0.427,95,493,467.32,3.91,5,0.35,0.66,1.0,0.479756356658214,0.3964173120416695,0.39249366047563566,0.504925981769584,0.44339832773627585
EOS-3-44741,Fc1cccc(-c2nnccc2-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)n1,VJDRQFVDTCUKBF-UHFFFAOYSA-N,3,1,0.304,3,340,453.466,3.968,6,0.369,0.58,1.0,0.17599890343362345,0.24371187718456583,0.3925022274004523,0.47063258172846273,0.32071139743677607
EOS-3-44742,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)ns4)n23)cc1,CETGNFGIYCHFHT-UHFFFAOYSA-N,3,1,0.325,98,882,472.925,3.821,6,0.356,0.66,1.0,0.14025769309848538,0.2233054622712631,0.1445068878075526,0.22252587211294633,0.18264897882256187
EOS-3-44743,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5Cl)n34)nc2)s1,CHEQMOXVXPUCHO-UHFFFAOYSA-N,3,1,0.495,19,442,467.917,4.427,5,0.365,0.64,0.999,0.7105236104447947,0.7507281886094168,0.46467000205606196,0.5282794188198204,0.6135503049825235
EOS-3-44744,Cc1nnc(COc2cncc3nnc(-c4ccc(-c5cc(F)ccn5)c(F)n4)n23)cc1F,SELMUVWNTJZITB-UHFFFAOYSA-N,3,1,0.4,46,223,450.384,3.343,5,0.376,0.53,0.999,0.5780532520046604,0.5739239942430265,0.5673445959838257,0.5740610650400932,0.5733457268179014
EOS-3-44745,Fc1ccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1,CKNQXCCSBASHOA-UHFFFAOYSA-N,3,1,0.402,32,20,461.46,5.242,6,0.347,0.76,1.0,0.4970358440134329,0.6461260365979028,0.7548317455966006,0.7410047289424988,0.6597495887876088
EOS-3-44746,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)cc1-c1cnccn1,QLDNGMZZMHCZAO-UHFFFAOYSA-N,3,1,0.452,31,569,451.853,2.791,5,0.362,0.55,0.987,0.45098862312384347,0.4015146323075869,0.3143718730724419,0.3533942156123638,0.380067336029059
EOS-3-44747,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,GZZNOBQSLKOXGA-UHFFFAOYSA-N,3,1,0.351,69,479,445.461,5.116,6,0.351,0.7,1.0,0.2965098348296895,0.42452539236515663,0.797400795010623,0.79936262079364,0.5794496607497772
EOS-3-44748,COc1ccc(-c2nnc3cncc(CCc4ccc(-c5cncnn5)nc4)n23)cc1,MVKQFNDTAXGYBR-UHFFFAOYSA-N,3,1,0.482,85,580,410.441,2.832,5,0.421,0.73,1.0,0.3345983825645946,0.13765334795421835,0.2852100609965047,0.22518161880611337,0.24566085258035775
EOS-3-44749,COc1ncc(-c2nnc3cncc(OCc4ncc(-c5cn(C)nn5)cn4)n23)cn1,QSAJKQSIZYXFGQ-UHFFFAOYSA-N,3,1,0.367,51,48,417.393,0.754,5,0.386,0.62,1.0,0.17062744157357276,0.11381159618943185,0.01954115550681927,0.005414296484134056,0.07734862243848949
EOS-3-44750,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)n[nH]2)n1C,FBWRQLKUGLLXPZ-UHFFFAOYSA-N,3,1,0.5,36,926,412.417,2.069,5,0.463,0.71,0.817,0.4996744568569666,0.4468250976629429,0.12129052155438284,0.12318381193886642,0.2977434720032897
EOS-3-44751,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)s1,NNCVNNKMCBXVRE-UHFFFAOYSA-N,3,1,0.319,30,945,448.515,4.742,6,0.384,0.62,0.971,0.04245767939140566,0.11382016311424852,0.28170618874648756,0.31547700637379206,0.18836525940648347
EOS-3-44752,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3cc(F)c(Cl)nn3)n12,PUJIGSWWODSYFW-UHFFFAOYSA-N,3,1,0.566,57,80,464.863,4.801,5,0.359,0.66,1.0,0.8735264889315332,0.952265094921527,0.8138064560345418,0.8741775752175999,0.8784439037763004
EOS-3-44753,Clc1nccc(CCOc2cncc3nnc(-c4csc(-c5nccs5)c4)n23)n1,WLFYZIKTJYBLMH-UHFFFAOYSA-N,3,1,0.489,58,579,441.929,4.041,5,0.367,0.64,1.0,0.4970444109382496,0.47305702145157974,0.1385785758344185,0.17694983208827358,0.32140746007813037
EOS-3-44754,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccnc5Cl)cn4)n23)cc1,XHHHXMFKTCSOMF-UHFFFAOYSA-N,3,1,0.54,27,343,465.851,4.813,5,0.355,0.72,1.0,0.8444075114796793,0.8891268590226852,0.8904804331437187,0.8713247892536495,0.8738348982249332
EOS-3-44755,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cc(-c6cc(F)ccn6)ccc5F)n34)nc2)nn1,LLIZTEPVPUJYLO-UHFFFAOYSA-N,3,1,0.314,32,572,479.454,4.354,6,0.367,0.69,1.0,0.2937512850387225,0.3964258789664862,0.6557980947159208,0.6806421766842574,0.5066543588513468
EOS-3-44756,Fc1cc(F)c(-c2nnc3cncc(-c4cnc(-c5cncnn5)cc4F)n23)cc1F,YSRJBDLZCRYCSG-UHFFFAOYSA-N,3,1,0.308,45,575,424.321,3.262,5,0.324,0.62,1.0,0.39443835240901925,0.5138270166541018,0.9104413679665547,0.9267270920430403,0.686358457268179
EOS-3-44757,Cn1nccc1-c1cc(F)cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)c1,LITQZHRVZZJPQH-UHFFFAOYSA-N,3,1,0.477,16,772,437.385,3.583,5,0.391,0.53,1.0,0.5641319991775752,0.5138355835789186,0.8836011925159345,0.8498646425878966,0.7028583544650813
EOS-3-44758,N=c1ncc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ccn2)c[nH]1,SDOPKHDPQIUTJD-UHFFFAOYSA-N,3,1,0.449,75,496,446.862,2.121,5,0.403,0.59,1.0,0.6125351243917483,0.564603180042492,0.1536135288876705,0.16111815502707147,0.3729674970872456
EOS-3-44759,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3ccnc(-c4ccncn4)n3)n12,MQVAGTJRMZOZCJ-UHFFFAOYSA-N,3,1,0.448,27,354,451.372,3.089,5,0.359,0.56,1.0,0.6741912822973065,0.7891508464121719,0.5604139538071414,0.46437872661229523,0.6220337022822288
EOS-3-44760,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc2F)n1,QSAPNIHTUPLWDT-UHFFFAOYSA-N,3,1,0.436,31,814,451.853,3.089,5,0.391,0.55,0.996,0.6651189089164553,0.6609382496059215,0.2524587074223837,0.3061733260228908,0.47117229799191285
EOS-3-44761,C#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccc5C)c(OC)n4)n23)cn1,SIZYKQPFZVZFKG-UHFFFAOYSA-N,3,1,0.484,49,348,449.474,3.521,5,0.363,0.57,0.976,0.43215852237680763,0.18537111918305804,0.37003975053114935,0.2195788499760126,0.3017870605167569
EOS-3-44762,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)s1,FLWIBWCEACIJTM-UHFFFAOYSA-N,3,1,0.548,4,655,452.902,4.99,5,0.374,0.73,1.0,0.6378675210746351,0.6657100267288054,0.7454766636967994,0.7358731409773148,0.6962318381193887
EOS-3-44763,CCc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccccc5Cl)n34)c2)cc1F,WAYYQAITJKPOTC-UHFFFAOYSA-N,3,1,0.417,59,153,460.9,5.182,5,0.347,0.76,1.0,0.6319563429511342,0.6411143855801521,0.7974093619354397,0.8100969775889246,0.7201442670139127
EOS-3-44764,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5)n34)s2)n[nH]1,HAUQGCRRAAEVIV-UHFFFAOYSA-N,3,1,0.282,38,865,425.481,4.003,6,0.441,0.6,0.994,0.07938969227606059,0.14890172023850318,0.3290213145089439,0.3277619765608937,0.22126867589610033
EOS-3-44765,Cc1nc(F)cc(COc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)n1,GFLZGUFJVOWAQS-UHFFFAOYSA-N,3,1,0.524,4,300,414.404,3.065,5,0.404,0.65,1.0,0.6235436227811665,0.5550681927215406,0.30693578233157426,0.25787300390651774,0.43585515043519985
EOS-3-44766,Fc1cnc(-c2nncc(COc3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)n2)nc1,OGLXOPZATVJLOV-UHFFFAOYSA-N,3,1,0.432,80,34,480.427,2.003,6,0.342,0.64,0.999,0.5807346994722774,0.5602768830100747,0.055625042834624085,0.061981701048591596,0.314654581591392
EOS-3-44767,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)ccc2Cl)ncn1,VTMLMHIXTKPAMV-UHFFFAOYSA-N,3,1,0.494,16,772,465.304,4.233,5,0.355,0.63,1.0,0.9085652114317044,0.9060465355356041,0.6616321705160716,0.6631827839078884,0.7848566753478171
EOS-3-44768,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)c1,NRFMTLYVXAIVFK-UHFFFAOYSA-N,3,1,0.505,6,247,465.477,3.699,6,0.347,0.61,1.0,0.37160749777259955,0.19410081557124254,0.27403022411075323,0.20801350147351108,0.26193800973202663
EOS-3-44769,N#Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)c(F)c1,BQJXVYYVPUXWQQ-UHFFFAOYSA-N,3,1,0.511,24,486,463.885,4.553,5,0.376,0.67,1.0,0.8016242889452402,0.809420190528408,0.7887824686450552,0.8078267425125077,0.8019134226578027
EOS-3-44770,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5F)nn4)n23)cn1)N1CCNCC1,SKJDPABZPSIQJN-UHFFFAOYSA-N,3,1,0.273,82,974,483.471,1.285,6,0.372,0.65,0.947,0.037942910013021726,0.012302104036734974,0.002013227331916935,0.004788910972517305,0.014261788088547736
EOS-3-44771,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ncccn4)n23)cc1F,UWUSOKIQKCUJRX-UHFFFAOYSA-N,3,1,0.4,63,306,403.421,2.398,5,0.531,0.93,1.0,0.20144267013912687,0.2233140291960798,0.05918031663354122,0.12083647453909944,0.15119337262696184
EOS-3-44772,Fc1cc(-c2nnc3cncc(OCc4scnc4-c4ccccc4)n23)ccc1Cl,FFDQVZFOWWFGCY-UHFFFAOYSA-N,3,1,0.582,57,709,437.887,5.286,5,0.374,0.79,1.0,0.9490696319649099,0.9458827359331095,0.7929288602563224,0.8498732095127133,0.8844386094167638
EOS-3-44773,c1cnnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccsc6)c5)n34)cc2)c1,VRYRCUQNBZLDRO-UHFFFAOYSA-N,3,1,0.303,9,339,434.488,4.434,6,0.405,0.57,1.0,0.14327325063395244,0.16038139949283806,0.5133815365636352,0.5380885477349051,0.3387811836063327
EOS-3-44774,Cc1nsc(COc2cncc3nnc(-c4cccc(-c5nc(C)n(C)n5)c4)n23)n1,NQGGJFXJDKMAJN-UHFFFAOYSA-N,3,1,0.471,36,931,419.474,2.634,5,0.428,0.59,1.0,0.17600747035844014,0.16831437187307244,0.010288876704818038,0.004591871701733945,0.08980064765951613
EOS-3-44775,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5cnnn5C)c4)n23)c1,ZLRQHZMKMLGAHE-UHFFFAOYSA-N,3,1,0.5,15,438,446.902,3.565,5,0.368,0.55,1.0,0.5046861078747172,0.5050373517922007,0.38158796518401755,0.38254746076348434,0.44346472140360493
EOS-3-44776,COc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5OC)n34)[nH]2)c1,VOJKNXUUSBJPNV-UHFFFAOYSA-N,3,1,0.33,67,642,480.492,3.056,6,0.382,0.67,0.999,0.15429888287300392,0.045344733054622714,0.22013570008909603,0.14792509080940305,0.14192610170653144
EOS-3-44777,Cc1csc(-c2cnc(F)c(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1,YRFAEWZMVUEBOW-UHFFFAOYSA-N,3,1,0.394,46,128,453.89,4.385,5,0.364,0.67,0.955,0.7407991227468987,0.695017476526626,0.4890943047083819,0.5049345486944007,0.6074613631690768
EOS-3-44778,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c(F)c1,MKDICOSFDASGJT-UHFFFAOYSA-N,3,1,0.472,16,79,454.828,3.492,5,0.375,0.57,1.0,0.6153108080323487,0.6609468165307382,0.7868463436364882,0.7971951888150229,0.7150747892536495
EOS-3-44779,Cc1cc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)cc(-c2cncs2)n1,ZNXLOINMOVBKDE-UHFFFAOYSA-N,3,1,0.512,65,496,450.915,3.683,5,0.361,0.59,1.0,0.7135220341306284,0.6803594681653073,0.24162154752929887,0.2313755054485642,0.46671963881844974
EOS-3-44780,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1ncc(Cl)cn1,UIDBEMKJNOEUMS-UHFFFAOYSA-N,3,1,0.472,73,930,469.267,4.063,5,0.355,0.64,1.0,0.7498800630525666,0.9101843602220547,0.5507161949146734,0.6544445205948872,0.7163062846960455
EOS-3-44781,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3ccnc(-c4nccnn4)c3)n12,ODAOZQOMKAAOSZ-UHFFFAOYSA-N,3,1,0.442,27,69,451.372,3.089,5,0.359,0.54,1.0,0.7985401960112398,0.7933657734219725,0.6261051333013501,0.5380971146597218,0.689027054348571
EOS-3-44782,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccc5F)c4)n23)cc1,JFRSEXFPNWWBML-UHFFFAOYSA-N,3,1,0.5,1,637,486.482,4.271,5,0.352,0.85,1.0,0.6436758961003358,0.2586183263655678,0.6640480433143718,0.577033787951477,0.5358440134329381
EOS-3-44783,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cnccn6)c5)n34)c2)cn1,AUQQKZVIIIQWSN-UHFFFAOYSA-N,3,1,0.494,28,355,472.512,4.593,6,0.347,0.68,1.0,0.5584606949489411,0.39643444589130283,0.5740610650400932,0.4887516277157152,0.5044269583990131
EOS-3-44784,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cc(Cl)ncc3Cl)n12,QNNKYRIWZGJTQK-UHFFFAOYSA-N,3,1,0.456,59,820,468.279,4.668,5,0.346,0.72,1.0,0.90063223905147,0.9060551024604208,0.8860256322390515,0.9118806113357549,0.9011483962716743
EOS-3-44785,Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5ncc(F)cc5F)c4)n23)cn1,ZUYUTBUGHZAXFN-UHFFFAOYSA-N,3,1,0.452,59,97,449.396,3.948,5,0.375,0.57,1.0,0.9022942224659036,0.8865482146528683,0.7997824001096566,0.7564337605373175,0.8362646494414365
EOS-3-44786,Cc1nnc(-c2nc(C)sc2-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)s1,VNRMFNISPWCBRL-UHFFFAOYSA-N,3,1,0.248,99,312,459.524,3.026,6,0.391,0.51,0.998,0.0018504557604002467,0.002861352888767048,0.005260091837434035,0.004797477897333973,0.003692344595983826
EOS-3-44787,Cc1cc(Cl)nc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)n4)n23)n1,JKCYCCBCWPCKPI-UHFFFAOYSA-N,3,1,0.357,46,242,449.837,3.113,5,0.294,0.67,1.0,0.662111918305805,0.6461346035227195,0.18565382770200808,0.21109759440751147,0.426249485984511
EOS-3-44788,Cc1cc(-c2nnc3cncc(OCc4cnc(Cl)cc4Cl)n23)cc(C#N)n1,XWHVWEOBJAPBEQ-UHFFFAOYSA-N,3,1,0.5,90,555,412.24,3.647,4,0.472,0.66,1.0,0.7985487629360565,0.7681104790624358,0.7997909670344733,0.8146374477417586,0.795271914193681
EOS-3-44789,Cc1cnc(-c2nnc3cncc(OCc4ncc(F)c(-c5cncnn5)n4)n23)cn1,LYLSIJZGSDIBJW-UHFFFAOYSA-N,3,1,0.333,7,828,417.368,1.25,5,0.407,0.6,0.999,0.5328198889726544,0.4555804948255774,0.03611815502707148,0.036649304365704884,0.265291960797752
EOS-3-44790,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)cc1,SHXRZCMGUBSNLR-UHFFFAOYSA-N,3,1,0.326,9,38,453.506,5.121,6,0.37,0.69,1.0,0.27440716880268656,0.36820642862038244,0.7044582276745939,0.7410132958673155,0.5220212802412445
EOS-3-44791,Cn1nc(C(F)F)cc1-c1cc(COc2cncc3nnc(-c4ccccc4F)n23)ncn1,KWZNZBQJEAEOSL-UHFFFAOYSA-N,3,1,0.5,4,633,452.4,3.638,5,0.388,0.55,1.0,0.47976492358303063,0.6032742786649304,0.6967222945651429,0.6254112123912,0.601293177301076
EOS-3-44792,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,PQCSJYNIJBLZEX-UHFFFAOYSA-N,3,1,0.5,11,639,461.888,4.366,5,0.347,0.63,1.0,0.7646408745116853,0.8211226098279761,0.6290949900623672,0.6373192378863684,0.7130444280720991
EOS-3-44793,OCc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccoc5)n34)c2)cn1,MBLCVEDFRPJSKH-UHFFFAOYSA-N,3,1,0.524,15,426,414.425,2.955,5,0.433,0.66,1.0,0.4509971900486601,0.315091494757042,0.4252707148242067,0.3470289904735796,0.3845970975258721
EOS-3-44794,Cc1ncc(-c2ncccc2-c2nnc3cncc(OCCc4ccccc4Cl)n23)s1,WVQNGHNIPTWOFK-UHFFFAOYSA-N,3,1,0.651,11,73,448.939,4.893,5,0.368,0.67,1.0,0.6180436570488658,0.7765574669316702,0.4213984648070728,0.48876019464053183,0.5761899458570351
EOS-3-44795,Cc1nc(-c2ncccn2)c(-c2nnc3cncc(-c4ccc(-c5ccnn5C)cn4)n23)s1,STPDEZJDYFFNRQ-UHFFFAOYSA-N,3,1,0.258,70,812,452.507,3.476,6,0.4,0.52,1.0,0.036563635117538205,0.05256665067507368,0.0402388458638887,0.04272325406072236,0.043023096429305734
EOS-3-44796,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cncn5C)n34)c2)cn1,MPHFCEUBBODHEK-UHFFFAOYSA-N,3,1,0.506,15,4,412.457,2.912,5,0.423,0.7,1.0,0.4321670893016243,0.289741964224522,0.25246727434720034,0.17695839901309027,0.2878336817216092
EOS-3-44797,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)c1,GZXOTVKOBWYXOI-UHFFFAOYSA-N,3,1,0.527,26,438,449.877,4.001,5,0.364,0.56,1.0,0.6983328764306764,0.6657185936536221,0.740482146528682,0.7222774312932629,0.7067027619765609
EOS-3-44798,Cn1cncc1-c1nnc2cncc(OCc3cc(-c4cccnc4OC(F)(F)F)ncn3)n12,BYOAMSBQEVKWRK-UHFFFAOYSA-N,3,1,0.4,7,354,469.387,2.854,5,0.37,0.57,0.863,0.3740148036460832,0.31510006168185867,0.720007196216846,0.5317147556713042,0.48520920430402303
EOS-3-44799,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5cnc(C)cn5)c4)n23)c1,TYCNGZLTFQVFPA-UHFFFAOYSA-N,3,1,0.489,75,530,458.913,3.93,5,0.352,0.61,1.0,0.6983414433554931,0.6513004591871702,0.3626807621136317,0.3277705434857104,0.5100233020355014
EOS-3-44801,Cc1nn(C)cc1-c1cncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)c1,GKZUQEHYESMTPX-UHFFFAOYSA-N,3,1,0.527,84,884,465.439,3.934,5,0.354,0.67,1.0,0.47475327256528,0.4909704612432321,0.8465920773079295,0.7811493386334042,0.6483662874374614
EOS-3-44802,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cncc(F)c5)nc4)n23)nc1,HWMJPBDFCJRORJ-UHFFFAOYSA-N,3,1,0.362,85,580,411.444,3.876,5,0.437,0.73,0.823,0.35085840586663014,0.3535741210335138,0.47495031183606334,0.48264341032143104,0.4155065622644096
EOS-3-44803,COc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnc(C)cn1,AQGBIRQVZJAXLC-UHFFFAOYSA-N,3,1,0.429,49,720,458.457,3.116,5,0.363,0.53,1.0,0.6953944212185594,0.5138441505037352,0.29967959701185665,0.19901823041600986,0.42698409978754026
EOS-3-44804,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)ncc1Cl,GVSNHTYPLJGMLZ-UHFFFAOYSA-N,3,1,0.506,2,419,452.902,4.724,5,0.371,0.63,1.0,0.7408076896717154,0.7374837228428484,0.75033411006785,0.7856812418614214,0.7535766911109588
EOS-3-44805,Fc1cc(-c2nnc3cncc(-c4ccnc(-c5ccccc5)n4)n23)ncc1-c1ccsc1,ODKGRNPQQXJMSW-UHFFFAOYSA-N,3,1,0.312,32,301,451.49,5.178,6,0.367,0.69,0.775,0.24529675827564937,0.3535826879583305,0.5929082996367624,0.6517031046535535,0.46087271263107393
EOS-3-44806,Cn1cc(-c2nnsc2-c2cncc3nnc(-c4nccnc4-c4cncs4)n23)cn1,VMHAKKQVKCQCFJ-UHFFFAOYSA-N,3,1,0.247,86,953,445.497,2.624,6,0.402,0.54,0.944,0.011599616201768213,0.01141971078061819,0.014803646083201973,0.02235967377150298,0.01504566170927284
EOS-3-44807,Fc1cccnc1-c1ccnc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,OCYKVTMDMFWKOA-UHFFFAOYSA-N,3,1,0.433,59,692,452.371,4.384,5,0.291,0.74,1.0,0.7528956205880337,0.7096326502638612,0.9536615036666438,0.9495750805290932,0.8414412137619081
EOS-3-44808,Fc1cc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)nc(-c2cccnn2)c1,RNMLKWDCTZIWJN-UHFFFAOYSA-N,3,1,0.495,81,218,477.463,3.818,6,0.353,0.64,1.0,0.48465663765334793,0.4909790281680488,0.5541343979165239,0.5381056815845384,0.5169689363306147
EOS-3-44809,COc1cc(-c2nnc3cncc(OCc4ncccc4-c4ccnc(F)c4)n23)ccc1Cl,XRZYXDGZMSOTJJ-UHFFFAOYSA-N,3,1,0.528,97,744,462.872,4.628,5,0.34,0.7,1.0,0.8958690288534028,0.9217240079501062,0.8517579329723802,0.8101055445137414,0.8698641285724077
EOS-3-44810,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccc4)n23)cn1,IIVJUNQIWUBUAJ-UHFFFAOYSA-N,3,1,0.435,28,363,466.53,4.289,6,0.361,0.69,1.0,0.4920670276197656,0.32939825920087723,0.19902679734082654,0.1936810362552258,0.30354328010417386
EOS-3-44811,Cc1nnccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cc4)n23)nc1,ANRJTFGBEMCCDB-UHFFFAOYSA-N,3,1,0.317,38,787,460.476,4.82,6,0.372,0.63,1.0,0.3464635734356795,0.3776900143924337,0.6967308614899596,0.6836406003700911,0.526131262422041
EOS-3-44812,COCc1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)c2)n1C,OSRKHDOYTJQSLE-UHFFFAOYSA-N,3,1,0.296,70,813,477.492,2.647,6,0.352,0.63,0.551,0.07330717565622644,0.06431190459872524,0.04467651291892262,0.056079089849907476,0.05959367075594544
EOS-3-44813,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ncnc(C)n1,VXBFHQYITSMRIY-UHFFFAOYSA-N,3,1,0.516,46,717,476.903,4.281,5,0.357,0.69,0.499,0.7731049962305531,0.7278887670481804,0.4072287711603043,0.4170464670002056,0.5813172503598109
EOS-3-44814,Clc1cc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)ccn1,RZNQKFZURUIQNE-UHFFFAOYSA-N,3,1,0.438,2,422,415.844,3.876,5,0.402,0.67,1.0,0.6741998492221233,0.6657271605784387,0.65016962511137,0.660150092522788,0.66256168185868
EOS-3-44815,COc1nc(-c2nc(C)nn2C)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,KDQBNTHQSQHHSM-UHFFFAOYSA-N,3,1,0.442,20,658,444.459,1.71,5,0.365,0.52,0.989,0.2533496676033171,0.08877047495031183,0.01087142759235145,0.0034353368514837912,0.08910672674936604
EOS-3-44816,Cc1cc(-c2nnc3cncc(OCc4cc(-c5nccnc5Cl)cnn4)n23)ccc1Cl,BWYCKLBLVLBANI-UHFFFAOYSA-N,3,1,0.457,16,534,465.304,4.233,5,0.38,0.61,1.0,0.6068723870879309,0.8289013775615105,0.5896614351312452,0.6601586594476047,0.6713984648070728
EOS-3-44817,CCn1c(-c2cc(C)n(C)n2)nnc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)cc3)n12,QNYXYLNLEPQACI-UHFFFAOYSA-N,3,1,0.295,8,882,479.552,3.488,6,0.372,0.64,1.0,0.043845521211705846,0.06017407991227469,0.02044924953738606,0.01462374066205195,0.03477314783085463
EOS-3-44818,CCn1c(C)nc(-c2cnc(C)nc2)c1-c1cncc2nnc(-c3ccc(Cl)c(OC)c3)n12,WNRMOZWPYKTCSO-UHFFFAOYSA-N,3,1,0.322,50,974,460.929,4.411,5,0.383,0.63,0.999,0.32184223151257624,0.39644301281611954,0.2164947570420122,0.20514358165992735,0.28498089575765884
EOS-3-44819,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccc(Cl)cn1,HEAPXTWQOGHFQD-UHFFFAOYSA-N,3,1,0.457,95,493,467.32,3.91,5,0.35,0.64,1.0,0.502116030429717,0.4468336645877596,0.4324754985950243,0.5317233225961209,0.4782871290521554
EOS-3-44820,Fc1cnc(F)c(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)c1,UBRPSDHKWUQGKS-UHFFFAOYSA-N,3,1,0.429,2,419,469.814,4.293,5,0.354,0.66,1.0,0.897565279967103,0.8645569186484819,0.9419333835926256,0.944400657939826,0.9121140600370092
EOS-3-44821,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)c2)n(C)n1,PCRPXQWGLZZQCJ-UHFFFAOYSA-N,3,1,0.449,92,838,447.89,2.96,5,0.391,0.51,1.0,0.45325029127544375,0.4909875950928655,0.18883215680899185,0.20210232335001027,0.33379309163182785
EOS-3-44822,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cncc(F)c5)nn4)n23)nc1,OEVFTTHFTIXJMA-UHFFFAOYSA-N,3,1,0.34,85,580,412.432,3.271,5,0.437,0.64,0.968,0.3270166541018436,0.3340672332259612,0.24874066205194983,0.2935114111438558,0.3008339901309026
EOS-3-44823,O=C(c1ccc(-c2cncc3nnc(-c4cc(F)cc(CO)n4)n23)cn1)N1CCC1,FVEJXXKJWCHICU-UHFFFAOYSA-N,3,1,0.316,63,169,405.393,1.726,5,0.551,0.81,0.998,0.06358371598930848,0.11675861832636557,0.005637036529367419,0.03046398464807073,0.05411083887327805
EOS-3-44824,O=c1[nH]cc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ccccc1,KCQRLCNEHLUONJ-UHFFFAOYSA-N,3,1,0.471,15,846,411.425,2.558,5,0.457,0.71,1.0,0.3146117469673086,0.11382873003906517,0.2996881639366733,0.31838976081145914,0.26162960043862654
EOS-3-44825,COc1cc(-c2nc(C)no2)ccc1-c1nnc2cncc(-c3nnc(-c4cncc(F)c4)[nH]3)n12,JHFNIBNDTLAXPB-UHFFFAOYSA-N,3,1,0.337,82,407,470.428,3.145,6,0.399,0.58,0.91,0.5328284558974711,0.49588787608799945,0.22350250154204646,0.19618257830169283,0.3621003529573024
EOS-3-44826,COc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cncn5C)cc4OC)n23)c(F)c1,FZJHKJZZWKBMHD-UHFFFAOYSA-N,3,1,0.444,16,718,478.459,4.066,5,0.348,0.74,0.999,0.6863477486121582,0.4336491672949078,0.8665444452059489,0.7059917072167775,0.6731332670824481
EOS-3-44827,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c(F)c2)cn1,PNSWHTNPDLCQAI-UHFFFAOYSA-N,3,1,0.536,97,71,450.836,4.759,5,0.359,0.68,1.0,0.8420773079295456,0.9288773901720239,0.9271640052086902,0.935165512987458,0.9083210540744294
EOS-3-44828,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)cc1,HSGKNADCFCRVDE-UHFFFAOYSA-N,3,1,0.284,30,498,417.432,4.57,6,0.415,0.69,1.0,0.07518333219107669,0.026540333082036873,0.4646785689808786,0.5865088067987115,0.2882277602631759
EOS-3-44829,Cc1cccc(-c2cncc(-c3nnc4cncc(OCCc5scnc5Cl)n34)c2)n1,YHJNQGPTLRQUAI-UHFFFAOYSA-N,3,1,0.484,87,76,449.927,4.288,5,0.382,0.62,1.0,0.6153193749571654,0.6752193132753067,0.2740387910355699,0.3154855732986087,0.4700157631416627
EOS-3-44830,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(C)cn5)c4)n23)cn1,XOMRXJIFWSGFBF-UHFFFAOYSA-N,3,1,0.542,7,879,410.441,3.234,5,0.435,0.72,1.0,0.5197124940031527,0.3682149955451991,0.35523610444794734,0.2373552189705983,0.37012970324172434
EOS-3-44831,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)cc(F)cc5F)n34)cc2Cl)cn1,XBMIOGFFCZLQIY-UHFFFAOYSA-N,3,1,0.55,59,607,470.842,4.842,5,0.367,0.7,1.0,0.7228856829552464,0.8289099444863272,0.9704698101569461,0.9695617161263793,0.8729567884312247
EOS-3-44832,Fc1cncc(COc2cncc3nnc(-c4cnnc(-c5cccnn5)c4)n23)c1F,YGWYLXOEQOVEEU-UHFFFAOYSA-N,3,1,0.438,53,511,419.355,2.29,5,0.423,0.53,0.999,0.6742084161469399,0.589464395860462,0.5236447124940031,0.5247241450209033,0.5780104173805771
EOS-3-44833,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cccs5)cn4)n23)cc1,SJEWNMAXJUXXDW-UHFFFAOYSA-N,3,1,0.329,64,449,451.49,5.178,6,0.367,0.73,0.999,0.29105270372147213,0.40606366938523747,0.5572099239257077,0.6517116715783702,0.47650949215269683
EOS-3-44834,Fc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)s1,UULZMASAZMGCGN-UHFFFAOYSA-N,3,1,0.323,32,790,452.478,4.573,6,0.362,0.64,1.0,0.23998526488931532,0.4060722363100541,0.5371975875539716,0.5480004797477898,0.4328138921252827
EOS-3-44835,COc1ncc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1-c1ccc(C)cn1,QSSJNAWVWONIPN-UHFFFAOYSA-N,3,1,0.505,35,657,473.924,4.235,5,0.346,0.7,1.0,0.6235521897059831,0.6179494208758823,0.5027671167157837,0.4170550339250223,0.5403309403056679
EOS-3-44836,CCCn1cnnc1-c1cncc2nnc(-c3nccnc3-c3cccc(Cl)c3)n12,BEKAZYMDWUSPHW-UHFFFAOYSA-N,3,1,0.314,50,844,417.864,3.57,5,0.431,0.65,0.917,0.09097217462819546,0.11676718525118224,0.04319443492563909,0.15052943595367008,0.10036580768967171
EOS-3-44838,Fc1cc(-c2cc(Cl)ncn2)cc(-c2nnc3cncc(Cc4ccc(Cl)nc4)n23)c1,NQCYBKFYLLXHLB-UHFFFAOYSA-N,3,1,0.337,14,81,452.28,4.68,5,0.291,0.74,1.0,0.36460832019738193,0.4289716263450072,0.8799174148447674,0.9183143718730724,0.6479529333150572
EOS-3-44839,Cc1cnc(-c2cccc(-c3nnc4cncc(COc5cccnc5F)n34)c2)cn1,SYFZQBRFBKXYGH-UHFFFAOYSA-N,3,1,0.382,14,351,413.416,3.67,5,0.406,0.72,1.0,0.5641405661023919,0.5320231649647043,0.5673531629086424,0.4765780275512302,0.5350237303817422
EOS-3-44840,Cc1nc(-c2nnc(C)n2C)ccc1-c1cncc2nnc(-c3cncnc3Oc3ccccc3)n12,SUVJKOPWVVQCQL-UHFFFAOYSA-N,3,1,0.347,10,342,476.504,3.848,6,0.365,0.63,0.887,0.10310294016859708,0.07160235761770954,0.06724179288602564,0.061990267973408265,0.07598433966143513
EOS-3-44841,COc1nc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1ncccn1,DQLDEPSKEUXJRY-UHFFFAOYSA-N,3,1,0.385,46,896,464.848,3.418,5,0.349,0.58,1.0,0.844416078404496,0.690142896305942,0.4285946816530738,0.382556027688301,0.5864274210129532
EOS-3-44842,Cc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccccc5F)n34)c2)s1,FRCDOZFOBQYTQA-UHFFFAOYSA-N,3,1,0.523,4,534,419.445,3.731,5,0.429,0.62,1.0,0.4797734905078473,0.5739325611678432,0.31815845384140906,0.3341786032485779,0.42651077719141933
EOS-3-44843,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5ccon5)ncn4)n23)c(F)c1,FQBNBQRZXQDPGP-UHFFFAOYSA-N,3,1,0.479,71,633,470.428,2.75,6,0.357,0.59,1.0,0.5378915084641217,0.5460043862655062,0.25573127270235074,0.23736378589541499,0.3942477383318484
EOS-3-44844,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5c(Cl)nc(C)n5C)n4)n23)cc1,SOLAYYTYHHHDCA-UHFFFAOYSA-N,3,1,0.489,4,677,463.904,4.575,5,0.379,0.65,1.0,0.7135306010554452,0.7234082653690631,0.432484065519841,0.4329809471592077,0.5756009697758893
EOS-3-44845,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)n1,KDDABQVAQBOXJX-UHFFFAOYSA-N,3,1,0.435,46,181,418.367,2.896,5,0.402,0.61,1.0,0.5897813720786786,0.4730655883763964,0.4286032485778905,0.4234373929134398,0.47872190048660135
EOS-3-44846,Cc1sc(-c2ccc(Cl)nn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,YURBIFAWPDWJHO-UHFFFAOYSA-N,3,1,0.566,34,32,470.345,4.899,5,0.361,0.77,0.998,0.7438917826057159,0.8460437941196628,0.28521862792132135,0.45198238640257693,0.5817841477623192
EOS-3-44848,N#Cc1ccc(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)nc1,NYFNWXDKXIJVBL-UHFFFAOYSA-N,3,1,0.548,1,666,411.45,3.76,5,0.434,0.78,1.0,0.4462682475498595,0.4817267493660476,0.5507247618394902,0.5013450071962169,0.49501619148790355
EOS-3-44849,Clc1ncc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)cn1,FHRNNLRFMMTGJE-UHFFFAOYSA-N,3,1,0.451,7,434,418.808,2.061,5,0.391,0.57,1.0,0.4671886779521623,0.6179579878006991,0.159944486327188,0.17431978616955657,0.3548527345624015
EOS-3-44850,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnc5F)nc4)n23)nc1,JEIMRULAORIVOL-UHFFFAOYSA-N,3,1,0.449,46,348,413.416,3.67,5,0.406,0.71,1.0,0.7198187238708793,0.6032828455897471,0.567361729833459,0.4917243506270989,0.5955469124802961
EOS-3-44851,Cc1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1ccccn1,FAORDSQMULKDHA-UHFFFAOYSA-N,3,1,0.456,46,348,413.416,3.67,5,0.406,0.71,1.0,0.7646494414365019,0.5793211568775273,0.5063395243643342,0.4487440888218765,0.57476355287506
EOS-3-44852,Fc1ncccc1-c1ccc(-c2nnc3cncc(Oc4cccc(Cl)c4F)n23)nc1F,CLLVCOGEIKSNLL-UHFFFAOYSA-N,3,1,0.376,13,573,454.799,5.111,5,0.351,0.72,1.0,0.8016328558700568,0.896768555959153,0.9510571585223768,0.9584589815639778,0.9019793879788911
EOS-3-44853,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)nc1,YAKDUAOUBZVDJC-UHFFFAOYSA-N,3,1,0.494,75,420,418.442,2.171,5,0.442,0.6,1.0,0.48215509560688097,0.33407580015077787,0.14154273182098553,0.11152422726338154,0.2673244637105065
EOS-3-44854,Cc1cncc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)c1,ZOCVZSBXMHRWTI-UHFFFAOYSA-N,3,1,0.438,2,419,431.406,3.809,5,0.391,0.56,1.0,0.7788791035569872,0.6657357275032554,0.8284216297717771,0.7789476389555205,0.762996024946885
EOS-3-44855,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ncn2)c1,JHQAWZOHJYDLKL-UHFFFAOYSA-N,3,1,0.379,44,662,412.457,3.178,5,0.437,0.71,0.856,0.19872695497224316,0.10789185114111438,0.1956000274141594,0.13835583578918512,0.1601436673291755
EOS-3-44856,Clc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1,XQCVPDOFWNWTKT-UHFFFAOYSA-N,3,1,0.63,11,583,463.328,5.177,5,0.346,0.74,1.0,0.8813052566650675,0.8586800082242478,0.8120074018230417,0.8600335823452814,0.8530065622644095
EOS-3-44857,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4ccccc4)cnn3)n12,MGAMBIPFUPGTLR-UHFFFAOYSA-N,3,1,0.478,19,207,447.861,4.057,5,0.387,0.53,0.999,0.7529041875128504,0.7234168322938798,0.6830152148584744,0.7617024192995683,0.7302596634911931
EOS-3-44858,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)cn1,GZLXUVXEKKIFMW-UHFFFAOYSA-N,3,1,0.392,7,354,415.392,2.46,5,0.399,0.64,0.999,0.48466520457816464,0.4863528887670482,0.2779367418271537,0.23138407237338085,0.37008472688643684
EOS-3-44859,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccccc5C(F)(F)F)n34)ccc2F)cn1,QUFFLTVRHOCKSC-UHFFFAOYSA-N,3,1,0.536,43,623,468.414,4.929,5,0.342,0.76,1.0,0.719827290795696,0.8426684257418957,0.9910389966417654,0.9766893975738469,0.8825560276883011
EOS-3-44860,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)o1,ASQPVWCAIOACRB-UHFFFAOYSA-N,3,1,0.576,35,352,450.861,4.564,5,0.35,0.67,1.0,0.9544239599753273,0.9180402302789391,0.7710832019738195,0.7462819546295661,0.847457336714413
EOS-3-44861,O=Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)o1,HJYHQQVZBCWLNP-UHFFFAOYSA-N,3,1,0.535,72,628,431.387,2.809,5,0.283,0.71,1.0,0.7320265917346309,0.5231049962305531,0.3069443492563909,0.26709101500925225,0.45729173805770684
EOS-3-44862,CCOCCOc1cc(C(F)(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,HRBSCEBDMJTODE-UHFFFAOYSA-N,3,1,0.35,0,999,485.466,4.252,4,0.375,0.81,0.999,0.49445719964361595,0.40608080323487084,0.9392433692001919,0.7879771777122884,0.6569396374477419
EOS-3-44863,N#Cc1ncccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)nc1,DSMNDXGNBQABFL-UHFFFAOYSA-N,3,1,0.287,64,114,454.457,3.639,6,0.391,0.5,0.999,0.11599616201768213,0.1528082379549037,0.30695291618120757,0.34376499211842915,0.22988057706805565
EOS-3-44864,Cc1cccnc1-c1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)cc(F)n1,OTUIRBMDZLSLGL-UHFFFAOYSA-N,3,1,0.457,24,97,449.396,3.948,5,0.375,0.56,1.0,0.8578661503666644,0.7972894249880063,0.7974179288602563,0.7513364402714002,0.8009774861215817
EOS-3-44865,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)n2)ncn1,ODMGVHPZJFHSPP-UHFFFAOYSA-N,3,1,0.5,58,578,462.876,3.761,5,0.351,0.6,1.0,0.8887841820300185,0.8837468302378179,0.5170995819340689,0.4979439380439997,0.6968936330614762
EOS-3-44866,Fc1ccc(Cl)cc1-c1ccc(-c2nnc3cncc(OCc4cncs4)n23)cc1,WCCPSYAJTOJLGM-UHFFFAOYSA-N,3,1,0.584,57,798,437.887,5.286,5,0.374,0.76,1.0,0.9347885682955246,0.9302994996915908,0.8941470769652525,0.9162240422178055,0.9188647967925433
EOS-3-44867,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)cn1,RUUOIJDQFHVHKG-UHFFFAOYSA-N,3,1,0.44,87,858,463.864,3.156,5,0.374,0.53,1.0,0.6712613940100062,0.7096412171886779,0.3217565622644096,0.34377355904324586,0.5116081831265848
EOS-3-44868,Cn1nc(COC(F)F)cc1-c1ccc(Oc2cncc3nnc(-c4ccc(C#N)cc4)n23)cn1,HMAHWYONNAAKJA-UHFFFAOYSA-N,3,1,0.447,89,374,474.431,3.99,5,0.348,0.69,0.992,0.612543691316565,0.7143101912137619,0.830357754780344,0.7564423274621342,0.7284134911932013
EOS-3-44869,COCc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(C)n5)n34)cn2)n(C)n1,MHOQXOZJZIGODG-UHFFFAOYSA-N,3,1,0.404,31,986,458.486,1.848,5,0.339,0.57,1.0,0.2533582345281338,0.137661914879035,0.01153108080323487,0.005671304228634089,0.10205563360975944
EOS-3-44870,Fc1ccnc(-c2ccccc2-c2nnc3cncc(OCCc4cncnc4)n23)c1,YYPSBSGKBCFTGV-UHFFFAOYSA-N,3,1,0.511,35,361,413.416,3.404,5,0.421,0.66,1.0,0.8668956891234323,0.7593465149749846,0.5336423137550544,0.5547083818792407,0.678648224933178
EOS-3-44871,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cncc(-c4ccnc(Cl)c4)c3)n12,XLMVHWXVVOZZPJ-UHFFFAOYSA-N,3,1,0.433,2,419,468.279,4.668,5,0.346,0.71,1.0,0.7617109862243849,0.8094287574532246,0.9095504077856212,0.9267356589678569,0.851856452607772
EOS-3-44872,Cc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nc4Cl)n23)c1,GRVCVJTZGIHTFX-UHFFFAOYSA-N,3,1,0.494,58,271,444.886,3.622,5,0.366,0.56,1.0,0.7929631279555891,0.8057792474813241,0.33634603522719486,0.35023302035501336,0.5713303577547804
EOS-3-44873,Cn1nc(-c2ccc3ccccc3n2)nc1-c1cncc2nnc(-c3ccc(-c4ccncc4)cn3)n12,RCONOMGHKKAMOD-UHFFFAOYSA-N,3,1,0.267,32,979,482.511,4.259,7,0.366,0.75,0.118,0.03959632650263861,0.0855321773696114,0.1727948735521897,0.26393838667671854,0.14046544102528957
EOS-3-44874,Cc1nc(-c2ccsc2)c(-c2nnc3cncc(-c4ncc(-c5cncn5C)[nH]4)n23)s1,BJJQPEKUEIEMSL-UHFFFAOYSA-N,3,1,0.267,50,489,445.537,4.075,6,0.439,0.51,0.622,0.030027071482420672,0.012310670961551641,0.0672503598108423,0.07992084161469398,0.047377235967377154
EOS-3-44875,COCc1nc(-c2ncc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)n(C)n1,CRMGONVZJYUXEQ-UHFFFAOYSA-N,3,1,0.426,73,446,467.852,3.108,5,0.371,0.6,0.846,0.5121650332396683,0.7421612637927489,0.12948050167911726,0.205152148584744,0.3972397368240696
EOS-3-44876,Fc1ccc(-c2nnc3cncc(OCCc4cnc(C(F)F)cn4)n23)cc1-c1cscn1,NEEBWCWGXHPSGE-UHFFFAOYSA-N,3,1,0.522,27,846,469.452,4.403,5,0.349,0.67,1.0,0.8299294085395107,0.8811853197176341,0.7526300459187171,0.7005774107326435,0.7910805462271263
EOS-3-44877,Cc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,HTBQEASJMLGSML-UHFFFAOYSA-N,3,1,0.524,1,22,418.457,4.336,5,0.395,0.68,1.0,0.6921561236378589,0.7143187581385786,0.6205537660201494,0.558023781783291,0.6462631073949694
EOS-3-44878,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(F)c(C#N)c5)n34)cn2)nc1,LKRHZSHUGXMOEY-UHFFFAOYSA-N,3,1,0.325,82,478,408.4,3.63,5,0.449,0.8,0.988,0.34871667466246314,0.5004026454663834,0.6938695086011926,0.6836491672949078,0.5566594990062367
EOS-3-44879,Cc1nc(COc2cncc3nnc(-c4cncn4C)n23)cc(-c2ncc(F)cn2)n1,NZIRIEDMUQSOGD-UHFFFAOYSA-N,3,1,0.398,7,828,418.396,1.798,5,0.42,0.55,0.998,0.2881056815845384,0.17255499965732302,0.05918888355835789,0.04801761359742307,0.1419667945994106
EOS-3-44880,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cs2)cn1,RGOOIDQBRBCGJW-UHFFFAOYSA-N,3,1,0.5,55,282,451.462,4.53,5,0.375,0.65,0.998,0.7348451099993146,0.7050836131862107,0.7354619285861147,0.5865173737235282,0.6904770063737921
EOS-3-44881,COc1ncc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5cnc(C)nc5)n34)cn2)cn1,SJZZXMZMPSXIEO-UHFFFAOYSA-N,3,1,0.255,86,780,463.465,2.603,6,0.375,0.55,1.0,0.035047289424988005,0.07161092454252621,0.11827496401891577,0.06690768281817559,0.0729602152011514
EOS-3-44882,COc1cc(-c2nnc3cncc(OCc4csc(C(F)F)n4)n23)ccc1-c1cncn1C,GOXKBVPDAZGQHD-UHFFFAOYSA-N,3,1,0.495,27,248,469.477,4.174,5,0.353,0.68,0.995,0.5071191145226509,0.5460129531903228,0.5637636214104585,0.3633232814748818,0.4950547426495785
EOS-3-44883,Fc1cc(-c2ncccn2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,NMODPXXMMIPROU-UHFFFAOYSA-N,3,1,0.421,18,116,415.392,2.194,5,0.385,0.63,1.0,0.6235607566307998,0.5138527174285519,0.14451545473236926,0.14793365773421974,0.35746564663148517
EOS-3-44884,CC#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5nncn5CC)cc4F)n23)cn1,VVXSNDLUYRUQQN-UHFFFAOYSA-N,3,1,0.442,36,908,455.457,2.949,5,0.36,0.57,1.0,0.48710677815091497,0.5231135631553697,0.2817147556713042,0.22519018573093003,0.3792813206771297
EOS-3-44885,N#Cc1cc(F)c(-c2cnc(COc3cncc4nnc(-c5ccc(F)cc5Cl)n34)nc2)cn1,QGXPFVXVIKTCAE-UHFFFAOYSA-N,3,1,0.5,73,969,476.834,4.026,5,0.373,0.63,1.0,0.8324395175107944,0.9320471523541909,0.8747858268795833,0.8881073949695018,0.8818449729285176
EOS-3-44886,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)c(F)c1,KQLLZPMRMLSWRY-UHFFFAOYSA-N,3,1,0.49,26,448,461.476,4.278,5,0.36,0.61,1.0,0.6954029881433761,0.5692207525186759,0.6776523199232404,0.5895671989582619,0.6329608148858886
EOS-3-44887,COc1cccc(OCc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,OKIVEHPUHDGQHI-UHFFFAOYSA-N,3,1,0.435,1,18,410.437,3.836,5,0.42,0.79,1.0,0.41384243711877183,0.25359810842300046,0.580049345486944,0.4361335754917415,0.4209058666301144
EOS-3-44888,Fc1cccc(-c2nnc3cncc(-c4csc(-c5cccc(Cl)c5F)n4)n23)c1,PLZMEKLVHUSRBH-UHFFFAOYSA-N,3,1,0.471,45,140,425.851,5.513,5,0.382,0.84,1.0,0.22063258172846276,0.5508104310876568,0.9131913508327051,0.9540384483585772,0.6596682030018505
EOS-3-44889,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccccn4)cnn3)n12,VRHICHSIWBLQJV-UHFFFAOYSA-N,3,1,0.467,54,873,414.404,2.799,5,0.418,0.62,1.0,0.6621204852306216,0.5183589198821191,0.392510794325269,0.407417243506271,0.4951018607360702
EOS-3-44890,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccs4)n23)cnc1Cl,NFPNJHCCUIWJQO-UHFFFAOYSA-N,3,1,0.521,87,905,451.943,4.406,5,0.341,0.65,0.992,0.5780618189294771,0.6082773627578645,0.3329278322253444,0.3437821259680625,0.46576228497018707
EOS-3-44891,CC(C)n1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1F,DJLNHTRSSXNASC-UHFFFAOYSA-N,3,1,0.527,37,619,462.464,3.925,5,0.362,0.6,1.0,0.5867144129943116,0.5739411280926598,0.5027756836406003,0.43614214241655813,0.5248933417860324
EOS-3-44892,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cncnn6)nn5)n34)cc2)n1C,PPDVUKJVIYKCCD-UHFFFAOYSA-N,3,1,0.408,71,614,478.48,2.116,6,0.346,0.62,1.0,0.3965286820642862,0.20803920224796107,0.05919745048317456,0.045361866904256046,0.17728180042491948
EOS-3-44893,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)cc2)s1,FSEWXDFIJOBSEX-UHFFFAOYSA-N,3,1,0.31,9,98,449.543,5.291,6,0.366,0.74,1.0,0.12115345075731615,0.11383729696388184,0.5372061544787883,0.5214430128161195,0.32340997875402644
EOS-3-44894,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)ccn2)cc1F,NDADQXYNHSZSNS-UHFFFAOYSA-N,3,1,0.529,59,16,464.863,5.067,5,0.361,0.69,1.0,0.8466777465560962,0.8460523610444795,0.9255362894935234,0.920438969227606,0.8846763415804263
EOS-3-44895,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)n1,NESQXAAYRGVDDR-UHFFFAOYSA-N,3,1,0.444,18,367,410.441,2.968,5,0.421,0.75,1.0,0.6010040435885134,0.4422760605852923,0.13858714275923514,0.1047477897333973,0.32165375916660954
EOS-3-44896,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cnn2)cn1,LDPKFMPQQJMQMX-UHFFFAOYSA-N,3,1,0.463,87,954,432.394,2.938,5,0.377,0.51,0.999,0.6894318415461586,0.7234253992186964,0.5270629154958536,0.5282879857446371,0.6170520355013365
EOS-3-44897,Cc1coc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2F)n1,YEKBVOCMFSNDCR-UHFFFAOYSA-N,3,1,0.523,11,639,450.861,4.564,5,0.35,0.7,1.0,0.9006408059762867,0.8356778150914947,0.6145569186484819,0.6108902748269481,0.7404414536358029
EOS-3-44898,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cncc(-c5cccc(F)n5)c4)n23)cn1,JUAIAGUMHUDRMN-UHFFFAOYSA-N,3,1,0.322,42,392,449.453,3.85,6,0.377,0.54,1.0,0.2586183263655678,0.25360667534781717,0.4785227194846138,0.47372524158727985,0.36611824069631965
EOS-3-44899,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)ccn1,NXUQDSSZCQZQHE-UHFFFAOYSA-N,3,1,0.404,18,194,462.876,3.783,5,0.336,0.59,1.0,0.6349461997121513,0.5550767596463574,0.5063480912891508,0.5013535741210335,0.5494311561921732
EOS-3-44900,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ncn2)nc1,TUCLWMDKKFXUMN-UHFFFAOYSA-N,3,1,0.429,18,296,411.429,2.363,5,0.415,0.69,0.825,0.4510057569734768,0.18537968610787472,0.10174936604756357,0.08330477691727778,0.2053598965115482
EOS-3-44901,Fc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccnc(F)c5)c4)n23)c(F)c1,KRNPMUPXMWMDDN-UHFFFAOYSA-N,3,1,0.413,45,358,451.839,5.515,5,0.338,0.82,1.0,0.5328370228222877,0.7850815571242546,0.9842625591117813,0.9915701459803988,0.8234378212596807
EOS-3-44902,Cc1[nH]nc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ncn2)c1Cl,UXFOVIZHXODFDR-UHFFFAOYSA-N,3,1,0.35,31,194,469.296,2.998,5,0.398,0.59,0.167,0.5328455897471044,0.47307415530121305,0.12380919745048317,0.21110616133232815,0.3352087759577822
EOS-3-44903,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)ccn1,WTOPJKWXDCFBNM-UHFFFAOYSA-N,3,1,0.506,72,132,465.851,4.196,5,0.347,0.61,1.0,0.9145877595778219,0.9522736618463437,0.7887910355698718,0.8285415667192104,0.871048505928312
EOS-3-44904,CCc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)ccc2F)cn1,SMQXPGZOWMVWGZ-UHFFFAOYSA-N,3,1,0.511,59,469,462.435,4.807,5,0.361,0.67,1.0,0.8690716880268659,0.9036563635117538,0.9114865327941882,0.8812281543417175,0.8913606846686313
EOS-3-44905,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cc(C(F)F)c1,WPBICMSDKWKZLI-UHFFFAOYSA-N,3,1,0.505,35,884,462.435,4.947,5,0.341,0.73,1.0,0.7900846412171887,0.8865567815776849,0.94989205674731,0.9333321910766911,0.8899664176547186
EOS-3-44906,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(OC5CCC5)cn4)n23)cc1F,ZHMIURVHKASWIT-UHFFFAOYSA-N,3,1,0.396,63,437,405.393,2.418,5,0.541,0.8,1.0,0.47742615310808034,0.37769858131725037,0.09662634500719622,0.18276677403879105,0.2836294633678295
EOS-3-44907,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)nc1F,RNCOGCHFCCZOQB-UHFFFAOYSA-N,3,1,0.394,51,48,467.827,2.986,5,0.347,0.59,0.757,0.668014529504489,0.6513090261119868,0.24503118360633266,0.34703755739839626,0.4778480741553012
EOS-3-44908,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(Cl)c(F)c4)n23)nc1,RFCSCYKMHZGWHL-UHFFFAOYSA-N,3,1,0.265,99,356,486.862,2.688,6,0.365,0.73,0.983,0.24258961003358234,0.33912171886779524,0.17280344047700638,0.32445514358165994,0.26974247824001096
EOS-3-44909,Fc1cc(-c2cncc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)c2)ccn1,ZDMSGRRWZRSAQG-UHFFFAOYSA-N,3,1,0.419,13,724,454.799,5.111,5,0.351,0.73,1.0,0.8094544582276746,0.8919882119114523,0.9691419368103625,0.9713779041875128,0.9104906277842506
EOS-3-44910,Cc1cccc(CCOc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)n1,BSTYSYFEBKUZRV-UHFFFAOYSA-N,3,1,0.426,18,367,410.441,2.968,5,0.421,0.73,1.0,0.47230313206771296,0.2487235282023165,0.2487492289767665,0.2051607155095607,0.2937341511890892
EOS-3-44911,Fc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cnccn1,APEIRXWTHHPRLI-UHFFFAOYSA-N,3,1,0.5,65,552,414.404,2.799,5,0.391,0.67,1.0,0.7985573298608731,0.7507367555342335,0.4324926324446577,0.4011805222397368,0.5957418100198753
EOS-3-44912,Cc1ccc(-c2nnc3cncc(OCc4snnc4-c4ccc(Cl)nc4)n23)cc1F,MHOHBBZHELIMTM-UHFFFAOYSA-N,3,1,0.494,16,772,453.89,4.385,5,0.364,0.71,1.0,0.5584692618737578,0.70014906449181,0.5336508806798711,0.6226098279761497,0.6037197587553971
EOS-3-44913,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)cc2)c(C)n1,KOBRMQARYPTOGJ-UHFFFAOYSA-N,3,1,0.518,27,343,459.46,4.777,5,0.361,0.65,1.0,0.6680230964293057,0.6222585840586663,0.7639983551504352,0.6078233157425811,0.6655258378452471
EOS-3-44914,C#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)c(Cl)n1,BCNBIFJGLCHYDR-UHFFFAOYSA-N,3,1,0.483,16,325,458.844,3.391,5,0.291,0.68,1.0,0.9428928791720924,0.9060636693852375,0.5673702967582757,0.5611678431910082,0.7443736721266535
EOS-3-44915,COc1ccc(F)c(F)c1-c1nnc2cncc(OCc3cc(-c4cnc(C)n4C)ncn3)n12,SEXZEJPMXGCXDG-UHFFFAOYSA-N,3,1,0.418,7,354,464.436,3.156,5,0.377,0.54,1.0,0.6010126105133301,0.4555890617503941,0.46468713590569527,0.3310345418408608,0.46308083750257
EOS-3-44916,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)nc1,PDKXJMFTEVWIAE-UHFFFAOYSA-N,3,1,0.523,1,31,437.887,5.286,5,0.374,0.73,1.0,0.7845589747104379,0.8211311767527928,0.8466006442327462,0.8713333561784662,0.8309060379686107
EOS-3-44917,Cc1nc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc(-c2cccnn2)n1,FLYSLFMWQFKUOI-UHFFFAOYSA-N,3,1,0.345,52,310,483.467,3.17,6,0.386,0.67,1.0,0.504694674799534,0.3151086286066753,0.12948906860393394,0.14561202110890276,0.2737260982797615
EOS-3-44918,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)c(F)c2)c[nH]1,YQZHOZSILFJHRW-UHFFFAOYSA-N,3,1,0.33,96,664,471.887,4.53,6,0.379,0.65,0.999,0.043854088136522515,0.20804776917277773,0.6558066616407374,0.6865619217325749,0.3985676101706531
EOS-3-44919,FC(F)OC(F)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cc1,DIPUFVCNTVHAFL-UHFFFAOYSA-N,3,1,0.414,66,455,454.334,4.398,4,0.402,0.57,1.0,0.5353471317935714,0.6609553834555548,0.9969073401411829,0.9910818312658488,0.7960729216640395
EOS-3-44920,Cc1nc(COc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)ccc1F,GLIQQUROCPDKKF-UHFFFAOYSA-N,3,1,0.477,2,970,414.404,3.065,5,0.432,0.65,1.0,0.595598314029196,0.5602854499348914,0.46126036597902814,0.3890240559248852,0.5015420464670002
EOS-3-44921,Fc1cnc(F)c(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)cc(Cl)n2)c1,TUDBNKXCMVWSFN-UHFFFAOYSA-N,3,1,0.495,65,361,466.839,3.591,5,0.35,0.58,1.0,0.8922366527311356,0.8891354259475018,0.6938780755260092,0.7169573709821122,0.7980518812966897
EOS-3-44922,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccccn5)s4)n23)cc1,NOGMYVMPGVDKTF-UHFFFAOYSA-N,3,1,0.337,64,176,451.49,5.178,6,0.367,0.72,0.976,0.20145123706394352,0.3340843670755945,0.4923583030635323,0.5985710369405798,0.40661623603591257
EOS-3-44923,CC#Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cn2)ccn1,UGASJPNDNQERLW-UHFFFAOYSA-N,3,1,0.552,13,573,456.868,5.205,5,0.346,0.74,1.0,0.8941984785141526,0.8967771228839696,0.918014529504489,0.9002809951339867,0.9023177815091495
EOS-3-44924,CCc1nc(-c2nnc3cncc(OCCc4ccc(F)c(C)n4)n23)ccc1-c1ncco1,SDBPPWQEAYNSJE-UHFFFAOYSA-N,3,1,0.443,49,690,445.458,3.868,5,0.372,0.59,0.856,0.6235693235556165,0.5231221300801864,0.16618120759372215,0.12945480090466727,0.36058186553354804
EOS-3-44925,OCc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(F)c5F)n34)c2)cn1,JVNPKJPILKGQGL-UHFFFAOYSA-N,3,1,0.438,16,55,447.405,2.993,5,0.396,0.55,0.995,0.6954115550681927,0.5845384140908779,0.7526386128435337,0.6776780206976903,0.6775666506750737
EOS-3-44926,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)cnc2F)n1,NFODWVOXSJHOKX-UHFFFAOYSA-N,3,1,0.472,55,131,420.433,3.126,5,0.4,0.62,1.0,0.6467257213350696,0.5793297238023439,0.22351106846686314,0.1909224864642588,0.41012225001713387
EOS-3-44927,CCc1cnc(COc2cncc3nnc(-c4cnc(-c5cncnn5)nc4)n23)cn1,VYIMTTGCUFSHJY-UHFFFAOYSA-N,3,1,0.396,7,535,413.405,1.365,5,0.398,0.66,1.0,0.3854345144267014,0.25862689329038446,0.022376807621136318,0.013124528819135083,0.16989068603933932
EOS-3-44928,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)cn5)ccn4)n23)nc1,MMJIXLSYPIUPSL-UHFFFAOYSA-N,3,1,0.433,7,720,410.441,3.234,5,0.435,0.7,1.0,0.34872524158727985,0.23833184839969845,0.2593722157494346,0.1716811733260229,0.25452761976560895
EOS-3-44929,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnn(CCC#N)c5)cnn4)n23)ccc1Cl,XKYCVFROSDEYMJ-UHFFFAOYSA-N,3,1,0.429,92,534,471.912,3.899,5,0.35,0.67,1.0,0.4510143238982935,0.6130491398807484,0.492366869988349,0.4948598451099993,0.5128225447193475
EOS-3-44930,CCc1nc(-c2nnc3cncc(OCCc4nccs4)n23)ccc1-c1cnc(C)c(C)n1,JPIOWPMKSQEJGM-UHFFFAOYSA-N,3,1,0.517,31,690,458.551,3.901,5,0.362,0.59,0.802,0.3877732849016517,0.2383404153245151,0.023404838599136453,0.012533411006785004,0.16551298745802204
EOS-3-44931,Fc1ccc(Cl)c(-c2nnc3cncc(OCc4scnc4-c4ccccc4)n23)c1,KQNSVRVISUSXOA-UHFFFAOYSA-N,3,1,0.5,57,709,437.887,5.286,5,0.374,0.8,1.0,0.767690699746419,0.8494362963470633,0.7548403125214174,0.8346926187375779,0.8016649818381194
EOS-3-44932,Cc1cc(-c2cc(F)nc(COc3cncc4nnc(-c5cccnc5)n34)c2)cnn1,YUYZOZRJGIZUMH-UHFFFAOYSA-N,3,1,0.483,4,875,414.404,3.065,5,0.404,0.64,1.0,0.46719724487697895,0.5412668768418888,0.48910287163319854,0.42036186690425603,0.4794822150640806
EOS-3-44933,COc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncn5C)c4)n23)n1,ZSMKSKJVAYRVFE-UHFFFAOYSA-N,3,1,0.484,26,125,480.891,3.404,5,0.349,0.71,0.987,0.722894249880063,0.680368035090124,0.3815965321088342,0.36651874443149884,0.53784439037763
EOS-3-44934,CCOc1ccnc(CCOc2cncc3nnc(-c4cc(-c5nnc(C)s5)[nH]n4)n23)c1,LYNYPTZKDVBVAR-UHFFFAOYSA-N,3,1,0.444,31,477,449.5,2.757,5,0.38,0.56,0.127,0.2613340415324515,0.10112398053594682,0.030832362415187445,0.017031046535535603,0.10258035775478033
EOS-3-44935,FC(F)n1cc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cnccn5)c4)n23)cn1,PMBBDCODCQCSNO-UHFFFAOYSA-N,3,1,0.478,65,324,469.843,3.51,5,0.333,0.61,1.0,0.4821636625316976,0.613057706805565,0.5994191624974299,0.5580323487081077,0.5631682201357
EOS-3-44936,c1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)s2)cc1,VOBKAOUPMOQFRU-UHFFFAOYSA-N,3,1,0.308,30,541,439.529,5.1,6,0.38,0.68,0.993,0.022188335275169627,0.035064423274621344,0.15362209581248715,0.24583647453909943,0.11417783222534439
EOS-3-44937,COc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,DUKZDXHJOXVFNU-UHFFFAOYSA-N,3,1,0.473,87,710,465.926,3.988,5,0.355,0.61,1.0,0.6068809540127476,0.5845469810156946,0.2061630457131108,0.20516928243437735,0.4006900657939826
EOS-3-44938,CC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc(C)cc5F)c4)n23)c(F)c1,DUPUPYISPITFNP-UHFFFAOYSA-N,3,1,0.337,96,46,442.429,4.705,5,0.375,0.6,1.0,0.3392245219655952,0.39167123569323553,0.7687272976492359,0.716965937906929,0.554147248303749
EOS-3-44939,Cn1ccnc1-c1cnc(Cl)c(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c1,XYUFFJILROIWHG-UHFFFAOYSA-N,3,1,0.424,20,279,468.308,3.305,5,0.349,0.6,1.0,0.6378760879994517,0.6032914125145638,0.22721197998766363,0.30936022205469127,0.4444349256390926
EOS-3-44940,Cn1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)cnc2Cl)n1,NEIXMQLSXZTFQN-UHFFFAOYSA-N,3,1,0.458,20,279,468.308,3.305,5,0.349,0.6,1.0,0.5611592762661914,0.6315879651840175,0.3105767253786581,0.3730124734425331,0.46908411006785006
EOS-3-44941,Cc1cc(-c2nnc3cncc(OCc4cc(C)nc(C)c4F)n23)cc(-c2ccc(F)cc2)n1,VMUXGHKEEWFTMV-UHFFFAOYSA-N,3,1,0.541,43,92,458.472,5.031,5,0.368,0.69,1.0,0.8299379754643273,0.727897333972997,0.8017784935919402,0.72490747721198,0.7711303200603112
EOS-3-44942,Fc1cccc(COc2cncc3nnc(-c4cc(Cl)cc(-c5ccccn5)c4)n23)c1F,HFEUQUJXPNJKIG-UHFFFAOYSA-N,3,1,0.523,57,709,449.848,5.364,5,0.361,0.74,1.0,0.9172777739702557,0.9060722363100542,0.9630594201905284,0.9690219998629293,0.9388578575834419
EOS-3-44944,Cc1nc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)cc(-c2cc(Cl)ncn2)n1,JOPJXEGCMVIMHL-UHFFFAOYSA-N,3,1,0.5,4,10,466.839,3.857,5,0.36,0.61,1.0,0.8466863134809129,0.8919967788362689,0.6444126516345693,0.6688626550613391,0.7629895997532726
EOS-3-44945,Fc1cc(-c2cccnc2F)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,VLIALDQDZTXNOT-UHFFFAOYSA-N,3,1,0.528,11,439,464.863,4.801,5,0.336,0.71,1.0,0.9265300527722569,0.935088410664108,0.8720529778630662,0.8895038037146186,0.9057938112535124
EOS-3-44946,COCc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)n1,KJPODHHVEGJEBL-UHFFFAOYSA-N,3,1,0.483,16,256,465.926,4.084,5,0.354,0.64,1.0,0.5897899390034953,0.6705931738743061,0.3740662051949832,0.36652731135631555,0.500244157357275
EOS-3-44947,OCc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)ccc1F,JSRGFNZUSGYGCH-UHFFFAOYSA-N,3,1,0.521,11,595,476.899,4.155,5,0.352,0.73,0.999,0.8922452196559523,0.8865653485025016,0.8706651360427661,0.8565554108697142,0.8765077787677336
EOS-3-44948,Clc1cccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)cnn2)c1,CFOHXUHZRKLMQI-UHFFFAOYSA-N,3,1,0.452,4,875,451.277,3.924,5,0.396,0.51,1.0,0.4871153450757316,0.6365396477280515,0.5637721883352752,0.6892005345761085,0.5941569289287918
EOS-3-44949,Cc1cc(COc2cncc3nnc(-c4cncc(-c5cncc(C#N)n5)c4)n23)n(C)n1,RRWBEDFNMBNJTM-UHFFFAOYSA-N,3,1,0.378,92,36,424.428,2.136,5,0.416,0.52,1.0,0.3508669727914468,0.24873209512713315,0.19225892673565897,0.1360170653142348,0.23196876499211844
EOS-3-44950,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cocn5)cn4)n23)cc1Cl,ILGXOUZRRFVWCY-UHFFFAOYSA-N,3,1,0.517,27,343,455.812,4.406,5,0.371,0.61,1.0,0.7873774929751216,0.8134380782674251,0.8576862449455144,0.8244894112809266,0.8207478068672469
EOS-3-44951,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccnc5O)cc4)n23)c(F)c1,GQOWXKYZMUATHK-UHFFFAOYSA-N,3,1,0.31,9,642,465.452,3.556,6,0.42,0.58,1.0,0.35796038653964773,0.40152319923240354,0.464695702830512,0.4519909533273936,0.41904256048248917
EOS-3-44952,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)sc1Cl,JXFOZZBSOIODDS-UHFFFAOYSA-N,3,1,0.588,1,22,437.887,5.286,5,0.374,0.78,1.0,0.829946542389144,0.8837553971626345,0.845007196216846,0.8565639777945309,0.8538182783907888
EOS-3-44953,Fc1ccc(Cn2cc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)cc1F,MULGZIOYUHARSZ-UHFFFAOYSA-N,3,1,0.41,85,476,454.391,3.633,5,0.364,0.57,0.985,0.1904941402234254,0.4336577342197245,0.8303663217051607,0.832627989856761,0.5717865465012679
EOS-3-44954,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)cc(F)c5F)n34)cn2)ncn1,VQDCRXSZTVOOEP-UHFFFAOYSA-N,3,1,0.429,13,573,451.824,4.676,5,0.366,0.63,1.0,0.8067130422863409,0.8786580768967172,0.8679494208758823,0.8548762936056473,0.852049208416147
EOS-3-44955,Cc1nccc(CCOc2cncc3nnc(-c4cccc(-c5ccsc5)c4)n23)n1,BDGOCAFJZXEAEH-UHFFFAOYSA-N,3,1,0.525,15,655,414.494,4.24,5,0.414,0.72,1.0,0.6680316633541225,0.48173531629086425,0.3363546021520115,0.3183983277362758,0.45112997738331856
EOS-3-44956,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1-c1cnccn1,RXFAFDBAKWZOJJ-UHFFFAOYSA-N,3,1,0.37,80,584,468.416,1.936,6,0.381,0.53,1.0,0.6265420464670002,0.560294016859708,0.08739976697964498,0.08686005071619492,0.34027397025563705
EOS-3-44957,Cc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc(-c2ccc(F)cn2)n1,QFTOWFOCGZGSGR-UHFFFAOYSA-N,3,1,0.449,58,490,463.423,3.991,5,0.376,0.56,1.0,0.8444246453293126,0.8134466451922417,0.7069426358714276,0.695068878075526,0.7649707011171271
EOS-3-44958,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(F)cn5)nc4)n23)cc1,SSSCCUZGIPOWSR-UHFFFAOYSA-N,3,1,0.4,14,886,411.444,3.876,5,0.437,0.73,1.0,0.4207730792954561,0.49099616201768215,0.49564800219313276,0.47955931738743063,0.47174414022342537
EOS-3-44959,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5C)c(F)c4)n23)cn1,CIXRYENCARPGJQ-UHFFFAOYSA-N,3,1,0.333,82,478,415.407,4.205,5,0.411,0.68,1.0,0.3531286409430471,0.4108697142073881,0.8017870605167569,0.7617109862243849,0.5818741004728942
EOS-3-44960,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,SUNNXNYKICPUOV-UHFFFAOYSA-N,3,1,0.638,84,672,451.914,5.329,5,0.349,0.76,1.0,0.8626122267150983,0.8616955657597148,0.8665530121307655,0.8868394900966349,0.8694250736755534
EOS-3-44961,Cc1cccc(-c2nnc3cncc(OCc4ncc(F)cc4-c4ccncc4)n23)c1,RMJCIQLYSAYZIV-UHFFFAOYSA-N,3,1,0.529,97,744,412.428,4.275,5,0.429,0.75,1.0,0.5982540607223631,0.5894729627852786,0.730167569049414,0.6921903913371257,0.6525212459735454
EOS-3-44962,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cnc(-c4ccccn4)cn3)n12,BTBYDRBBFBAGOB-UHFFFAOYSA-N,3,1,0.477,31,828,413.445,2.307,5,0.417,0.66,1.0,0.24530532520046605,0.10790041806593105,0.04799191282297306,0.03909944486327188,0.1100742752381605
EOS-3-44963,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)ncn2)n1,MCVAPDOYQMNKDF-UHFFFAOYSA-N,3,1,0.398,31,296,447.85,1.807,5,0.351,0.52,0.22,0.5956068809540127,0.4817438832156809,0.03884243711877185,0.04802618052223974,0.2910548454526763
EOS-3-44964,CCNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cc(C)cs5)cn4)n23)c(F)c1,RVNVSMMDAMKDAQ-UHFFFAOYSA-N,3,1,0.375,89,412,474.521,4.904,5,0.376,0.78,1.0,0.5956154478788294,0.48636145569186484,0.5171081488588856,0.3696199712151326,0.49217625591117814
EOS-3-44965,Fc1ccc(-c2nnc3cncc(Cc4ccc(-c5cncs5)nc4)n23)c(-c2cccnc2)c1,FEHSLFISAGNCBZ-UHFFFAOYSA-N,3,1,0.381,41,174,465.517,5.102,6,0.352,0.72,1.0,0.34172606401206224,0.43366630114454113,0.6938866424508259,0.7169745048317456,0.5465633781097937
EOS-3-44966,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncnnc4-c4cncc(Cl)n4)n23)cn1,YOWNQWKEDLWVIA-UHFFFAOYSA-N,3,1,0.311,86,968,468.872,2.549,6,0.379,0.54,0.62,0.17063600849838942,0.2080563360975944,0.10175793297238024,0.15566959084367077,0.1590299671030087
EOS-3-44967,Cc1cnc(-c2nnc3cncc(OCc4ccc(-c5ccnc(C)c5)cc4)n23)cn1,RUFDNZDQELNEAQ-UHFFFAOYSA-N,3,1,0.471,89,348,409.453,3.839,5,0.435,0.81,1.0,0.4846737715029813,0.2741158933589199,0.48211226098279764,0.3855972859982181,0.4066248029607292
EOS-3-44968,Cc1nc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)cc1F,WXGOLCKLPUBXKO-UHFFFAOYSA-N,3,1,0.533,11,655,460.9,4.971,5,0.333,0.71,1.0,0.8793605647316839,0.8673326022890823,0.7779710095264204,0.7903502158865053,0.828753598108423
EOS-3-44969,c1cc(-c2ccc(-c3nnc4cncc(-c5csc(-c6nccs6)n5)n34)cc2)ccn1,WHETWHGLDMFOQV-UHFFFAOYSA-N,3,1,0.358,32,126,439.529,5.1,6,0.38,0.69,1.0,0.07707662257556028,0.1987440888218765,0.3069614831060243,0.3760794325269001,0.2397154067575903
EOS-3-44970,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cncnc5Cl)cnn4)n23)cc1Cl,QLCJUQFZKIFGIO-UHFFFAOYSA-N,3,1,0.472,13,573,455.24,4.277,5,0.37,0.59,1.0,0.7012370639435268,0.6752278802001234,0.8246950174765266,0.8855030498252348,0.7716657528613529
EOS-3-44971,Fc1cc(Cl)ccc1Cn1nnc(-c2cncc3nnc(-c4ccc(-c5conn5)nc4)n23)n1,BXEKXEGZBVLWPV-UHFFFAOYSA-N,3,1,0.281,22,221,475.835,2.731,6,0.365,0.6,0.265,0.23452813378109794,0.36822356247001575,0.17281200740182304,0.32777911041052704,0.27583570351586595
EOS-3-44972,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)cn1,FBVXCJJXCOGHGY-UHFFFAOYSA-N,3,1,0.603,11,201,412.428,4.009,5,0.392,0.76,1.0,0.9480673017613598,0.84944486327188,0.6750993763278733,0.6631913508327051,0.7839507230484545
EOS-3-44973,Fc1ccc(Cc2cncc3nnc(-c4cnc(Cl)c(-c5ccc(Cl)nc5)c4)n23)nc1,NNOKFXVEXSHONE-UHFFFAOYSA-N,3,1,0.383,14,81,452.28,4.68,5,0.369,0.62,1.0,0.42307758207113977,0.5508189980124735,0.8531971763415804,0.9071688026865876,0.6835656397779453
EOS-3-44974,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nc(Cl)ccc5F)n34)c2)nn1,XFDIRVWPTQXJSX-UHFFFAOYSA-N,3,1,0.394,58,88,462.876,3.761,5,0.351,0.58,0.96,0.634954766636968,0.6657442944280721,0.40346789116578713,0.4329895140840244,0.5342891165787129
EOS-3-44975,CCc1nc(-c2nnc3cncc(OCCc4nn(C)cc4Cl)n23)ccc1-c1cnn(C)c1,LXJQYUWBMGDZSM-UHFFFAOYSA-N,3,1,0.402,31,460,463.933,3.158,5,0.365,0.58,0.999,0.33698855458844496,0.3964515797409362,0.08998697827427866,0.09064663148516208,0.22851843602220548
EOS-3-44976,Cc1cnc(CCc2cncc3nnc(-c4cc(-c5cncc(F)c5)ncn4)n23)s1,OXPLLPNEOZLXFN-UHFFFAOYSA-N,3,1,0.307,85,580,418.461,3.333,5,0.432,0.61,0.812,0.23736378589541499,0.2282828455897471,0.10699232403536427,0.15301384415050373,0.1814131999177575
EOS-3-44977,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccco5)cc4)n23)cc1,ZELMPRUQMBZZGO-UHFFFAOYSA-N,3,1,0.328,69,885,416.444,5.175,6,0.394,0.84,1.0,0.13513467205811802,0.03198033034062093,0.5507333287643068,0.6343122472757179,0.3380401446096909
EOS-3-44978,Clc1cnc(-n2cnc(-c3cncc4nnc(-c5scnc5-c5ccccn5)n34)n2)nc1,USJGSHUGHNPFQZ-UHFFFAOYSA-N,3,1,0.284,86,892,459.886,3.001,6,0.391,0.52,0.985,0.02534096360770338,0.07518333219107669,0.020457816462202728,0.05196696593790693,0.04323726954972243
EOS-3-44979,CCc1cncc(COc2cncc3nnc(-c4ccc(-c5csc(C)n5)cn4)n23)c1Cl,ODJOMNXDWLCSLX-UHFFFAOYSA-N,3,1,0.435,46,62,463.954,4.808,5,0.357,0.73,0.99,0.4696902199986293,0.5366921389897882,0.4176889863614557,0.3794033993557673,0.4508686861764101
EOS-3-44980,Fc1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1cscn1,QJIANSAQMICRFJ-UHFFFAOYSA-N,3,1,0.523,11,490,470.892,4.863,5,0.352,0.72,1.0,0.9278493591940237,0.9081197313412378,0.8156997464190254,0.8515523267767802,0.8758052909327668
EOS-3-44981,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,ZJFUIXXRQNGVAN-UHFFFAOYSA-N,3,1,0.533,26,669,463.904,4.484,5,0.331,0.67,1.0,0.6125522582413817,0.6032999794393804,0.7044667945994106,0.6892091015009252,0.6523820334452746
EOS-3-44982,Cc1nc(-c2cc(F)c(F)c(COc3cncc4nnc(-c5ccc(C#N)cc5F)n34)c2)cn1C,YNZSLNGLTQZNAB-UHFFFAOYSA-N,3,1,0.484,59,607,475.434,4.368,5,0.375,0.68,1.0,0.837528270851895,0.8460609279692961,0.940502707148242,0.9095247070111713,0.8834041532451511
EOS-3-44983,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ocnc4-c4ccccc4)n23)c(F)c1,HSGDSDMUSUHTSA-UHFFFAOYSA-N,3,1,0.326,64,885,453.412,4.849,6,0.377,0.63,1.0,0.3321739428414776,0.377707148242067,0.6261137002261669,0.7275289562058803,0.5158809368788979
EOS-3-44984,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4Cl)n23)cc1,GVVPBTCBTBTMCU-UHFFFAOYSA-N,3,1,0.375,0,862,490.926,4.035,6,0.425,0.88,1.0,0.37637070797066685,0.4015317661572202,0.2961671578370228,0.47064114865327944,0.38617769515454736
EOS-3-44985,CCCn1ccc(Cc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)c(F)c4)n23)n1,RGMZCSPRVFSXBQ-UHFFFAOYSA-N,3,1,0.315,14,487,448.893,4.238,5,0.386,0.69,1.0,0.23737235282023164,0.30486258652594067,0.33293639915016104,0.4266328558700569,0.32545104859159757
EOS-3-44986,Cc1ncc(-c2nnc3cncc(-c4c(F)cc(-c5nn[nH]c5C)cc4Cl)n23)s1,PZZIYIHXSCFDAP-UHFFFAOYSA-N,3,1,0.317,22,844,426.868,4.109,5,0.466,0.55,1.0,0.1432818175587691,0.33409293400041123,0.3740747721197999,0.4765865944760469,0.3320090295387568
EOS-3-44987,CCn1c(COc2cncc3nnc(-c4cccc(-c5ccnn5C)c4)n23)cnc1C#N,MLGJZRDEBAHHAH-UHFFFAOYSA-N,3,1,0.408,36,506,425.456,2.859,5,0.411,0.53,1.0,0.19873552189705984,0.18538825303269138,0.1888407237338085,0.14074600781303542,0.1784276266191488
EOS-3-44988,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(Cl)c5)n34)cn2)n1C,MRPQSXPRZFGSGW-UHFFFAOYSA-N,3,1,0.31,39,972,480.923,4.068,6,0.371,0.7,0.981,0.13255602768830102,0.18539681995750806,0.13238468919196766,0.23737235282023164,0.1719274724145021
EOS-3-44989,Fc1ccc(CCCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)cc1F,RBDJXBXGARJYRB-UHFFFAOYSA-N,3,1,0.571,57,198,443.457,5.143,5,0.326,0.79,1.0,0.9240285107257898,0.7681190459872524,0.8466092111575629,0.8698255774107326,0.8521455863203344
EOS-3-44990,Cc1ccc(-c2nnc3cncc(OCc4cccnc4OCCc4cncc(Cl)c4)n23)nn1,UEYYMVCXZHENNS-UHFFFAOYSA-N,3,1,0.392,53,411,474.912,3.534,5,0.333,0.65,0.77,0.4920755945445823,0.39167980261805224,0.27404735796038654,0.240096634911932,0.34947484750873825
EOS-3-44992,COc1cc(-c2nnc3cncc(OCc4sncc4F)n23)ccc1-c1ncc(F)cn1,FBQFGPGSJDWSGI-UHFFFAOYSA-N,3,1,0.5,73,467,453.434,3.571,5,0.385,0.58,1.0,0.8170447536152423,0.7187649921184291,0.45440682612569394,0.38903262284970186,0.5948122986772668
EOS-3-44993,Cc1cnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cc1C,XYCUQUXYWDQIKU-UHFFFAOYSA-N,3,1,0.583,35,393,456.937,5.14,5,0.352,0.71,1.0,0.665127475841272,0.7465475292988829,0.7454852306216161,0.6921989582619423,0.7123397985059283
EOS-3-44994,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)nc(C)n2)nc1,DEUZQNFXDPKDKV-UHFFFAOYSA-N,3,1,0.446,31,330,464.942,3.992,5,0.371,0.62,1.0,0.44851278185182647,0.4245339592899733,0.08740833390446165,0.10913405523953122,0.2673972825714481
EOS-3-44996,Fc1cc(-c2ncncc2-c2nnc3cncc(-c4cnnc(-c5cccnc5)c4)n23)ccn1,JUTLMGKQFIIRKA-UHFFFAOYSA-N,3,1,0.279,94,723,448.425,3.301,6,0.374,0.5,0.837,0.21510691522171202,0.294976355287506,0.46833664587759577,0.49486841203481596,0.3683220821054074
EOS-3-44997,Fc1cc(F)cc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)c1,ZILNQMUSGSKBTC-UHFFFAOYSA-N,3,1,0.409,59,511,469.814,4.293,5,0.379,0.61,1.0,0.6894404084709752,0.7096497841134947,0.9328524432869577,0.9502347337399767,0.8205443424028511
EOS-3-44998,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cn1,AKWJWXAVASVZCC-UHFFFAOYSA-N,3,1,0.693,57,962,449.848,5.364,5,0.338,0.79,1.0,0.9621770269344116,0.9502690014392434,0.9733996984442465,0.9763467205811802,0.9655481118497704
EOS-3-44999,Cn1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)nc2)c1,JLRXJVHRPAICOH-UHFFFAOYSA-N,3,1,0.245,76,272,443.521,3.834,6,0.408,0.54,0.383,0.016397094099102186,0.052575217599890346,0.15660338564868756,0.16890548968542252,0.09862029675827566
EOS-3-45000,Fc1cc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)cn4)n23)ccc1Cl,ILTIZMJLBUNCRK-UHFFFAOYSA-N,3,1,0.519,57,417,417.831,5.438,5,0.389,0.86,1.0,0.9438352409019258,0.9610033582345281,0.9320214515797409,0.9444092248646426,0.9453173188952094
EOS-3-45001,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ncn5)n34)cc(C)n2)cn1,LQUWJYUVPQZHNK-UHFFFAOYSA-N,3,1,0.464,31,819,459.901,3.325,5,0.352,0.58,1.0,0.5353556987183881,0.6130662737303817,0.202496401891577,0.17996538962374067,0.3827209409910219
EOS-3-45002,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(F)cn5)cn4)n23)cn1,NRXRSSDCQACUCB-UHFFFAOYSA-N,3,1,0.393,51,48,484.455,2.044,6,0.364,0.72,1.0,0.47978205743266394,0.3048711534507573,0.04800047974778973,0.057612569392091015,0.2225665650058255
EOS-3-45003,Cc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)c(F)c1,WVBBDJHVQWKDGW-UHFFFAOYSA-N,3,1,0.33,32,20,449.449,5.018,6,0.373,0.65,1.0,0.3146203138921253,0.42898019326982384,0.6967394284147762,0.6601672263724213,0.5251267904872866
EOS-3-45004,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1ncccc1F,JVBKLVBJUWAEMS-UHFFFAOYSA-N,3,1,0.511,57,383,463.419,4.858,5,0.358,0.67,1.0,0.972611541361113,0.9303080666164074,0.9486070180248098,0.92459392776369,0.9440301384415052
EOS-3-45005,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)c5)nc4)n23)cn1,HUPHSCWXYOTVPR-UHFFFAOYSA-N,3,1,0.5,27,430,465.851,4.813,5,0.332,0.73,1.0,0.8490679185799466,0.8494534301966966,0.9045301898430539,0.8680436570488658,0.8677737989171407
EOS-3-45006,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccc6Cl)cn5)n34)o2)n1C,MONWAWGSJVIFMG-UHFFFAOYSA-N,3,1,0.303,76,794,469.896,4.266,6,0.376,0.61,0.646,0.06731032828455898,0.15281680487972038,0.16618977451853884,0.24879206360084985,0.15877724282091701
EOS-3-45007,Fc1cc(-c2nc[nH]n2)ccc1-c1cncc2nnc(-c3cnn(CC(F)F)c3)n12,PKYXRVJSTORBHJ-UHFFFAOYSA-N,3,1,0.296,50,542,411.351,2.844,5,0.477,0.64,1.0,0.18206428620382428,0.27412446028373655,0.6693681036255226,0.6746881639366733,0.4500612535124392
EOS-3-45008,Fc1cc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4F)n23)c1,GWHXFTSJFSGJKU-UHFFFAOYSA-N,3,1,0.543,57,951,449.848,5.364,5,0.361,0.75,1.0,0.9265386196970735,0.9545181961483106,0.9584589815639778,0.9659978754026455,0.9513784182030018
EOS-3-45009,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c(Cl)n2)cn1,MNIBGJOQSJCHSA-UHFFFAOYSA-N,3,1,0.5,35,143,465.851,4.196,5,0.347,0.62,1.0,0.9101586594476047,0.9408025495168254,0.797426495785073,0.8225104516482763,0.8677245390994448
EOS-3-45010,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)c(Cl)n1,AGWUSIUSVWVPMJ-UHFFFAOYSA-N,3,1,0.506,58,28,465.851,4.196,5,0.347,0.62,1.0,0.9145963265026387,0.9435696662326092,0.6857309300253581,0.7197673223219793,0.8159160612706463
EOS-3-45011,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)nn1,RGPRGYVGXKKTBJ-UHFFFAOYSA-N,3,1,0.372,67,622,465.452,3.975,6,0.352,0.62,1.0,0.530352614625454,0.509260845726818,0.540564389006922,0.4887687615653485,0.5172366527311356
EOS-3-45012,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c(F)c2)n(C)n1,LRDVRLBAAPETTH-UHFFFAOYSA-N,3,1,0.512,4,554,454.918,4.933,5,0.376,0.68,1.0,0.6207165375916661,0.7234339661435131,0.7018624494551435,0.692207525186759,0.6845551195942705
EOS-3-45013,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5F)cn4)n23)cc1)N1CCCC1,AHBJVPGTYZLILH-UHFFFAOYSA-N,3,1,0.327,52,376,483.482,4.43,6,0.352,0.81,0.999,0.15430744979782057,0.10425947501884723,0.10969090535261462,0.31840689466109245,0.17166618120759372
EOS-3-45014,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c(C)c1,OGBCURIFPICSCH-UHFFFAOYSA-N,3,1,0.484,43,520,463.904,4.75,5,0.361,0.68,1.0,0.6436844630251525,0.6852340483859913,0.6804708381879241,0.6836577342197245,0.6732617709546982
EOS-3-45015,Cc1nc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)nc4OC(F)F)n23)ccc1F,SZYLSOFLAHYOIP-UHFFFAOYSA-N,3,1,0.444,27,677,469.387,2.994,5,0.382,0.61,0.515,0.46969878692344597,0.6365482146528683,0.5865430744979782,0.4795678843122473,0.5430894900966349
EOS-3-45016,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cc(Cl)c2F)cn1,LZTLONBDBRVVNA-UHFFFAOYSA-N,3,1,0.494,20,658,462.876,3.761,5,0.375,0.54,1.0,0.8094630251524912,0.8586885751490645,0.5507418956891235,0.5381142485093551,0.6892519361250086
EOS-3-45017,C#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncnn5CC)c(C)n4)n23)cn1,WILBGDKIOJWJNV-UHFFFAOYSA-N,3,1,0.386,31,690,455.457,2.868,5,0.36,0.58,0.831,0.38317284627510106,0.3391302857926119,0.17913439791652389,0.1530224110753204,0.2636149852648893
EOS-3-45018,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)ccn1,BUQMBLSGMMXJKI-UHFFFAOYSA-N,3,1,0.483,18,578,413.416,3.404,5,0.394,0.69,1.0,0.6921646905626756,0.5692293194434925,0.5236532794188198,0.5049431156192173,0.5724976012610513
EOS-3-45019,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5sncc5C)n34)c(F)n2)cc1F,UPYJCGNHISQDCL-UHFFFAOYSA-N,3,1,0.471,55,283,451.462,4.179,5,0.37,0.61,0.987,0.5456788431224727,0.5941933383592626,0.4360993077924748,0.41067267493660475,0.49666104105270376
EOS-3-45020,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(F)c1,FQLZHCMWMBFBGQ-UHFFFAOYSA-N,3,1,0.442,16,772,467.867,4.391,5,0.353,0.65,1.0,0.6954201219930094,0.6266876841888835,0.782597148927421,0.7972037557398396,0.7254771777122885
EOS-3-45021,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)s1,SZTGJONFPZKDLP-UHFFFAOYSA-N,3,1,0.343,30,668,453.506,5.215,6,0.366,0.71,0.997,0.003229730655883764,0.12009115208004935,0.45777362757864437,0.5611764101158249,0.2855677301076006
EOS-3-45023,Fc1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)cn1,KDGZNAODRWRUQP-UHFFFAOYSA-N,3,1,0.547,88,595,470.892,4.863,5,0.33,0.79,1.0,0.9480758686861764,0.9522822287711603,0.8264855047632101,0.8532657117401138,0.8950273284901652
EOS-3-45024,Cc1nc(-c2c[nH]c(=N)cn2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)n1,HHHFDGPVWGPYOO-UHFFFAOYSA-N,3,1,0.41,31,330,460.889,2.429,5,0.367,0.66,0.76,0.592685559591529,0.44684223151257624,0.1661983414433555,0.15053800287848673,0.3390660338564868
EOS-3-45025,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cn(C)nc5C)n34)c2)nn1,QPZALRWFLJRDTF-UHFFFAOYSA-N,3,1,0.482,36,931,413.445,2.573,5,0.432,0.65,1.0,0.17328318826673977,0.13054280035638408,0.08741690082927832,0.0519755328627236,0.11080460557878144
EOS-3-45026,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)c2)cn1,LERYZYLMNWHEFH-UHFFFAOYSA-N,3,1,0.385,7,662,413.445,2.573,5,0.432,0.65,1.0,0.15431601672263726,0.08219107669111096,0.1017664998971969,0.05198409978754027,0.09756442327462134
EOS-3-45027,O=C(NC1COCC1O)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)cn1,SUBSUKYYQUFBBE-UHFFFAOYSA-N,3,1,0.324,63,505,467.436,1.599,5,0.438,0.59,0.023,0.21243403467891167,0.1110016448495648,0.6234836543074498,0.4979525049688164,0.36121795970118564
EOS-3-45028,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)nc2C(F)F)n1,UCLNLWKSWIRJDC-UHFFFAOYSA-N,3,1,0.414,20,116,461.436,3.301,5,0.36,0.54,0.99,0.6712699609348228,0.6082859296826811,0.2740559248852032,0.1961911452265095,0.4374507401823042
EOS-3-45029,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4Cl)n23)c1F,GVFVDFSNTZNEOQ-UHFFFAOYSA-N,3,1,0.484,58,262,462.876,3.761,5,0.351,0.6,1.0,0.877501542046467,0.8811938866424508,0.4034764580906038,0.40742581043108766,0.6423994243026523
EOS-3-45030,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)ccn2)cn1,XLZXAFHLCNVAQF-UHFFFAOYSA-N,3,1,0.511,75,819,462.876,3.761,5,0.351,0.6,1.0,0.7702864779658694,0.8057878144061408,0.4683452128024124,0.46130320060311153,0.6264306764443835
EOS-3-45031,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)nc1,KQDGWIXWAPTQIZ-UHFFFAOYSA-N,3,1,0.408,6,843,468.506,3.079,6,0.363,0.58,1.0,0.18765848810910835,0.13400383798231788,0.20970118566239462,0.1635340278253718,0.17372438489479813
EOS-3-45032,Cc1nccc(CCc2cncc3nnc(-c4ccc(-c5ccncc5)cc4F)n23)n1,HNVKXNDTYOLSBA-UHFFFAOYSA-N,3,1,0.376,14,81,411.444,3.876,5,0.437,0.74,1.0,0.44374957165375917,0.5050459187170173,0.47180625042834623,0.4948769789596327,0.4788696799396889
EOS-3-45033,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)n1,IPXWWXQRTLRAGM-UHFFFAOYSA-N,3,1,0.524,16,256,423.889,3.881,5,0.426,0.56,1.0,0.5430659310533891,0.6033085463641971,0.457782194503461,0.47957645123706394,0.5209332807895277
EOS-3-45034,Cn1nc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)nc1Cl,DHGVPZASBMCDIQ-UHFFFAOYSA-N,3,1,0.439,92,185,471.819,2.337,5,0.363,0.59,0.995,0.4970529778630663,0.6560465355356041,0.11537934343088205,0.1407545747378521,0.3523083578918511
EOS-3-45035,Cc1ccnc(-c2cc(Cl)cc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)c2)n1,GGAKGFJAZCCGGS-UHFFFAOYSA-N,3,1,0.483,16,439,465.851,4.462,5,0.354,0.65,1.0,0.8375368377767116,0.832370982112261,0.835463641971078,0.822519018573093,0.8319726201082859
EOS-3-45036,COc1ccccc1-c1cc(-c2nnc3cncc(COCCOCc4ccccc4)n23)ccn1,DVCPIQDOFKKVAO-UHFFFAOYSA-N,3,1,0.426,79,824,467.529,4.595,5,0.278,0.83,0.999,0.280044205332054,0.05632753066959084,0.6175724761839491,0.5150520869028853,0.36724907477211977
EOS-3-45037,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(F)nc(F)c4)n23)cc(F)n1,CCJBOTIIGUCIMZ-UHFFFAOYSA-N,3,1,0.482,55,565,438.373,2.978,5,0.389,0.49,1.0,0.6680402302789391,0.5508275649372901,0.6473425399218696,0.5985796038653964,0.6161974847508738
EOS-3-45038,Cc1cc(-c2nnc3cncc(OCc4nccnc4-c4ncc(F)nn4)n23)ccc1Cl,RXXMJVCXACQLDL-UHFFFAOYSA-N,3,1,0.462,7,212,449.837,3.113,5,0.398,0.49,0.994,0.7075337536837777,0.8729353711191831,0.23093002535809745,0.3244637105064766,0.5339657151668837
EOS-3-45039,Cc1cccc(COc2cncc3nnc(-c4cc(-c5cnc(C)n5C)cnn4)n23)n1,ATRXTJNPMMVSEQ-UHFFFAOYSA-N,3,1,0.398,53,587,413.445,2.573,5,0.432,0.68,1.0,0.20428688917826057,0.0785329997943938,0.10969947227743129,0.06059385922829141,0.11327830511959427
EOS-3-45040,COc1cccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(F)c(OC)n5)n34)cc2)c1,KAUPUNUQEBPIBK-UHFFFAOYSA-N,3,1,0.533,79,881,473.464,4.714,5,0.32,0.79,1.0,0.8755482831882667,0.7891594133369886,0.754848879446234,0.5513244465766568,0.7427202556370365
EOS-3-45041,Cc1cc(-c2cncc(F)c2)ccc1-c1nnc2cncc(OCc3ccnc(C(F)F)n3)n12,CDQVTEUUHTUVTB-UHFFFAOYSA-N,3,1,0.453,27,343,463.423,4.607,5,0.363,0.66,1.0,0.7290624357480638,0.8250548283188267,0.8076811047906244,0.7303217736961141,0.7730300356384072
EOS-3-45042,Cc1ccnc(-c2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)nn2)c1F,JKOSYRGIPDNNHK-UHFFFAOYSA-N,3,1,0.294,94,342,462.452,3.61,6,0.387,0.5,0.353,0.25573983962716745,0.29990233705708996,0.22014426701391268,0.29653553560413953,0.2680804948255774
EOS-3-45043,Cc1nc(-c2ccc(C(F)F)nc2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)n1,AJSGYPPCKVUGJX-UHFFFAOYSA-N,3,1,0.437,18,531,478.438,4.045,5,0.345,0.68,1.0,0.7617195531492016,0.7421698307175656,0.7093670755945446,0.6168185868000823,0.7075187615653485
EOS-3-45044,CCn1nc(-c2cccs2)nc1-c1cncc2nnc(-c3nccnc3-c3ccncn3)n12,JLBDFCXPMFYDNW-UHFFFAOYSA-N,3,1,0.263,86,953,453.495,3.045,6,0.387,0.53,0.675,0.05147865122335686,0.04535329997943938,0.0066479336577342195,0.007915838530601056,0.027848930847782883
EOS-3-45045,Fc1cc(Cl)c(F)c(Oc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1,YPGZZXLOIVNXJJ-UHFFFAOYSA-N,3,1,0.476,13,110,442.838,5.034,5,0.363,0.73,1.0,0.7617281200740182,0.8094373243780413,0.8930590775135357,0.9026540333082037,0.8417196388184498
EOS-3-45046,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)c(F)c1F,MTRSXYQGIFQFJD-UHFFFAOYSA-N,3,1,0.391,73,196,470.802,3.688,5,0.358,0.6,1.0,0.6467342882598862,0.7234425330683298,0.8138150229593585,0.8498817764375299,0.758468405181276
EOS-3-45047,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)ncc4Cl)n23)cc1,YVIDYXQDFXLISW-UHFFFAOYSA-N,3,1,0.523,66,12,488.857,4.33,5,0.434,0.83,1.0,0.8490764855047632,0.7234510999931465,0.8836097594407512,0.8285501336440272,0.821171869645672
EOS-3-45048,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccc(C)c(F)c5)cn4)n23)c(F)c1,QKNIXNYMEYTPIH-UHFFFAOYSA-N,3,1,0.4,57,417,429.43,5.541,5,0.375,0.81,1.0,0.832448084435611,0.8460694948941128,0.9419419505174422,0.9183229387978891,0.8846956171612638
EOS-3-45049,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5cnc(Cl)c(F)c5)c4)n23)n1,GRSJIHPUUQJJRY-UHFFFAOYSA-N,3,1,0.541,4,43,453.89,4.385,5,0.364,0.68,1.0,0.5404358851346721,0.622267150983483,0.5027842505654171,0.5182818175587691,0.5459422760605853
EOS-3-45050,Cn1ncnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)n1,LCUQGSUUWHADTB-UHFFFAOYSA-N,3,1,0.408,7,185,454.376,2.428,5,0.356,0.51,0.933,0.4723116989925296,0.5092694126516346,0.3329449660749777,0.2846960455075046,0.3998055308066616
EOS-3-45051,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cc(F)ncc5F)n4)n23)ccc1Cl,DORMNUWGBMSXJC-UHFFFAOYSA-N,3,1,0.447,73,401,465.851,4.462,5,0.354,0.66,1.0,0.817053320540059,0.9141679802618052,0.8561441984785142,0.8583544650812145,0.8614299910903982
EOS-3-45052,Fc1ccncc1CCOc1cncc2nnc(-c3cnnc(-c4ncccn4)c3)n12,XVNJSTNQKSNFNI-UHFFFAOYSA-N,3,1,0.489,65,65,415.392,2.194,5,0.411,0.61,1.0,0.7166403947638955,0.6803766020149408,0.23093859228291413,0.24584504146391611,0.4684501576314166
EOS-3-45053,COc1ccc(C)cc1-c1c(-c2cncc3nnc(-c4ccc(C)nc4)n23)cnn1C,AZNCJTGVYLIDOP-UHFFFAOYSA-N,3,1,0.333,82,336,411.469,3.879,5,0.446,0.74,0.999,0.07519189911589336,0.07854156671921048,0.43250119936947434,0.29060722363100544,0.21921047220889592
EOS-3-45054,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c(F)cn2)nc1,JFGJJIGIYSGRNE-UHFFFAOYSA-N,3,1,0.46,73,930,452.812,3.549,5,0.373,0.54,1.0,0.8905489685422521,0.9408111164416421,0.677660886848057,0.7117658145432115,0.8051966965937907
EOS-3-45055,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C(F)(F)F)nn5)on4)n23)nc1,SQCDMWUFICWTCZ-UHFFFAOYSA-N,3,1,0.435,27,52,458.335,3.368,5,0.365,0.57,1.0,0.532854156671921,0.555085326571174,0.8284301966965938,0.7089644301281612,0.6563335275169626
EOS-3-45056,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)nn1,ZLKHWFGAWSUGAO-UHFFFAOYSA-N,3,1,0.494,75,658,411.429,2.363,5,0.415,0.69,1.0,0.4723202659173463,0.3441933383592626,0.1045336166129806,0.08331334384209445,0.251090141182921
EOS-3-45057,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4F)n23)cc(-c2ccc(F)cc2)n1,IVHRLTMBOQGWBC-UHFFFAOYSA-N,3,1,0.581,11,732,462.435,4.596,5,0.344,0.65,1.0,0.9347971352203414,0.9470735384826263,0.862286683572065,0.8443389760811459,0.8971240833390446
EOS-3-45058,c1ncc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)c2)cn1,UCUCVTGMYDVPLE-UHFFFAOYSA-N,3,1,0.315,42,171,433.5,5.039,6,0.387,0.67,1.0,0.10036152422726338,0.14502090329655268,0.6884123774929751,0.7032331574258104,0.4092569906106504
EOS-3-45059,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ncccc4F)nc3Cl)n12,LSLBSZRCSMSURX-UHFFFAOYSA-N,3,1,0.511,58,28,465.851,4.196,5,0.347,0.61,1.0,0.930496538962374,0.9253992186964567,0.7224402028647796,0.7739702556370365,0.8380765540401616
EOS-3-45060,COc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)c1Cl,JEJHIGIGDVDOOT-UHFFFAOYSA-N,3,1,0.468,26,563,479.903,4.009,5,0.348,0.68,1.0,0.7198358577205126,0.67523644712494,0.6444212185593859,0.5865259406483448,0.6565048660132959
EOS-3-45061,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)s1,ACHVNLHTGSBTAI-UHFFFAOYSA-N,3,1,0.527,87,419,449.927,4.288,5,0.357,0.62,1.0,0.6556353231444041,0.6901514632307587,0.45064594613117676,0.43904632992940856,0.558869765608937
EOS-3-45062,Cc1cc(-c2cncc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)c2)ncn1,QDLHKVMJXQKECU-UHFFFAOYSA-N,3,1,0.429,13,995,450.289,5.051,5,0.378,0.65,1.0,0.5807432663970941,0.6033171132890138,0.809908505242958,0.8347011856623946,0.7071675176478651
EOS-3-45063,Fc1ccccc1-c1cnnc(Cc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)n1,GJNXYYUCIVIZCY-UHFFFAOYSA-N,3,1,0.367,10,693,466.505,4.497,6,0.369,0.6,1.0,0.3171989582619423,0.35359125488314713,0.42140703173188954,0.5247327119457199,0.40423248920567467
EOS-3-45064,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1nc[nH]n1,JNJYJORZNGOXCT-UHFFFAOYSA-N,3,1,0.412,47,223,454.372,2.976,5,0.39,0.52,0.704,0.7198444246453293,0.6513175930368035,0.6804794051127407,0.5927026934411623,0.6610860290590089
EOS-3-45065,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c(F)n2)n1,BWCAECITROCUFE-UHFFFAOYSA-N,3,1,0.454,58,954,456.894,3.755,5,0.388,0.58,1.0,0.8041600986909739,0.797297991912823,0.24503975053114935,0.2996624631622233,0.5365400760742924
EOS-3-45066,N#Cc1cnnc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)c1,SOVFKGHFLRARAH-UHFFFAOYSA-N,3,1,0.375,51,924,442.83,2.537,5,0.398,0.47,0.792,0.5430744979782057,0.523130697005003,0.3254489068603934,0.37302104036734973,0.441168785552738
EOS-3-45067,CCc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1nnc(C)o1,FDWYDHOQKSHRIH-UHFFFAOYSA-N,3,1,0.439,31,928,462.901,3.777,5,0.356,0.6,0.373,0.4944657665684326,0.536700705914605,0.07801041738057707,0.09858817079021315,0.301941265163457
EOS-3-45068,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cn2)s1,OGPJFUQAOKMAQX-UHFFFAOYSA-N,3,1,0.494,4,464,440.941,4.912,5,0.386,0.67,1.0,0.5379000753889384,0.7234596669179632,0.3889640874511685,0.39808786238091975,0.5121029230347475
EOS-3-45069,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccc2F)ccn1,KSBFNFVCKMUAGJ-UHFFFAOYSA-N,3,1,0.612,11,595,464.863,4.801,5,0.336,0.7,1.0,0.9719090535261462,0.9796963881844973,0.9289973271194572,0.9333407580015077,0.953485881707902
EOS-3-45070,COc1ncc(-c2nnc3cncc(OCCc4cncnn4)n23)cc1-c1cc(=O)n(C)cn1,NJZUASGSJPGVTL-UHFFFAOYSA-N,3,1,0.384,92,779,458.442,0.762,5,0.34,0.58,1.0,0.24812384346514976,0.06432047152354191,0.038851004043588516,0.01865019532588582,0.09248637858954149
EOS-3-45071,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,YDBVNBFMGAOVCU-UHFFFAOYSA-N,3,1,0.5,58,698,461.432,3.552,5,0.339,0.6,1.0,0.7760263175930368,0.6706017407991227,0.5270714824206703,0.4298197519018573,0.6008798231786718
EOS-3-45072,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)ccc1Cl,HUYBKANQIBYPLG-UHFFFAOYSA-N,3,1,0.485,87,137,460.9,4.971,5,0.356,0.69,1.0,0.8490850524295799,0.8586971420738811,0.8466177780823796,0.860042149270098,0.8536105304639846
EOS-3-45073,COc1cc(-c2cc(C)nn2C)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,UTMNGJQTCCHVMP-UHFFFAOYSA-N,3,1,0.442,36,224,462.901,3.531,5,0.377,0.59,1.0,0.46493557672537866,0.442284627510109,0.3436450551709958,0.2488006305256665,0.3749164724830375
EOS-3-45074,Fc1cc(-c2cnc(-c3nnc4cncc(-c5ccc(Cl)nc5F)n34)cc2F)ccn1,DITOCXANTYAEQZ-UHFFFAOYSA-N,3,1,0.293,45,575,439.788,4.381,5,0.388,0.55,1.0,0.3694229319443493,0.5894815297100953,0.9290058940442739,0.9488811596189431,0.7091978788294154
EOS-3-45075,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccn2)s1,DZYWUHDGYUTNRN-UHFFFAOYSA-N,3,1,0.488,13,110,438.875,5.203,5,0.383,0.75,1.0,0.6587622507024878,0.7279059008978137,0.7404907134534987,0.7590209718319512,0.7215449592214378
EOS-3-45076,Cc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)cn4)n23)c(Cl)n1,MEOVWXYQPNVYPF-UHFFFAOYSA-N,3,1,0.33,96,155,434.29,4.926,5,0.375,0.65,0.999,0.26923274621341925,0.3825388938386677,0.6414399287231856,0.7564508943869509,0.5124156157905558
EOS-3-45077,Cc1ccc(-c2nnc3cncc(CCc4nc(-c5cccc(F)c5)nn4C)n23)cc1,NFVQLMRXSJLJTE-UHFFFAOYSA-N,3,1,0.411,14,886,413.46,3.82,5,0.438,0.77,1.0,0.23158967856898088,0.41556438900692205,0.182329860873141,0.28737749297512166,0.27921535535604136
EOS-3-45078,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc6cnccc56)n34)nn2C)cn1,HVOKYDWJSJGNQL-UHFFFAOYSA-N,3,1,0.374,65,569,464.493,2.855,6,0.366,0.57,1.0,0.2910612706462888,0.12733877047495032,0.12129908847919951,0.10690665478719759,0.16165144609690904
EOS-3-45079,Cc1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)s4)n23)ccc1C(F)(F)F,FAMDKPBJSGZFRR-UHFFFAOYSA-N,3,1,0.375,66,225,443.376,5.185,4,0.409,0.66,1.0,0.32702522102666026,0.459872524158728,0.9949797820574326,0.9786769241313138,0.6901386128435336
EOS-3-45080,Clc1ccc(-c2cncc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)cn1,KHKLQTIPDMDPCD-UHFFFAOYSA-N,3,1,0.442,13,995,435.274,5.347,5,0.355,0.77,1.0,0.5584778287985744,0.6950260434514427,0.8954749503118361,0.9298454526763074,0.7697060688095402
EOS-3-45081,COCC(C)n1ncnc1-c1cncc2nnc(-c3ccc(-c4ccc(C)nn4)nc3)n12,JNCGOWGWNSUKIR-UHFFFAOYSA-N,3,1,0.283,50,974,428.46,2.418,5,0.401,0.54,0.312,0.10311150709341375,0.08219964361592763,0.04468507984373929,0.02669453772873689,0.0641726920704544
EOS-3-45082,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cc(CF)c5)n34)c2)n(C)n1,AAZXJPJPQVHVHH-UHFFFAOYSA-N,3,1,0.478,16,16,447.449,4.083,5,0.39,0.58,1.0,0.4622883969570283,0.42007059146048936,0.7404992803783154,0.6488503186896032,0.567927146871359
EOS-3-45083,CCc1cc(C)c(-c2cc(COc3cncc4nnc(-c5ccc(COC)nc5)n34)cnn2)nn1,AVOZDNJXOSEFDZ-UHFFFAOYSA-N,3,1,0.463,92,226,469.509,3.03,5,0.335,0.63,0.786,0.37402337057089985,0.2999109039819067,0.10454218353779728,0.06060242615310808,0.20976972106092798
EOS-3-45084,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cnc5Cl)n34)ncn2)n1,FJYNTIPGPJLBCR-UHFFFAOYSA-N,3,1,0.379,46,395,437.826,2.748,5,0.386,0.51,0.851,0.5197210609279693,0.42898876019464055,0.40348502501542044,0.41706360084983896,0.44231461174696735
EOS-3-45085,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)cc6)n5)n34)cc2)nc1,RBPONFOVQXRAKO-UHFFFAOYSA-N,3,1,0.333,3,783,464.92,5.063,6,0.362,0.7,1.0,0.046775409499006236,0.2179082996367624,0.6175810431087657,0.6806507436090741,0.3907288739634021
EOS-3-45086,Cn1nncc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)no1,RQCWPFKRADZEJX-UHFFFAOYSA-N,3,1,0.315,98,42,412.373,2.292,6,0.424,0.67,1.0,0.10312007401823041,0.09170036323761223,0.09663491193201289,0.10475635665821396,0.09905292646151738
EOS-3-45087,Cc1cc(-c2cc(-c3nnc4cncc(OCc5nccc(C)n5)n34)ccn2)ncn1,PCHRWHHFHFHUTH-UHFFFAOYSA-N,3,1,0.413,75,99,411.429,2.629,5,0.43,0.68,1.0,0.3716160646974162,0.21791686656157905,0.12130765540401617,0.07040298814337605,0.19531089370159688
EOS-3-45088,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)cn2)nc1,MULCYPFBXGBFLL-UHFFFAOYSA-N,3,1,0.462,7,85,411.429,2.629,5,0.43,0.68,1.0,0.4301281611952574,0.3489394147076965,0.09664347885682956,0.056087656774724146,0.23294967788362692
EOS-3-45089,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1cccnc1,LUQHRTJCSSGAMC-UHFFFAOYSA-N,3,1,0.654,13,209,447.857,5.447,5,0.357,0.75,1.0,0.9360050716194914,0.9081282982660545,0.9419505174422589,0.9267442258926736,0.9282070283051196
EOS-3-45090,CCCOc1ncccc1-c1cncc2nnc(-c3ccc(OC(F)F)c(C)c3)n12,DCJUYNYFPHKEFQ-UHFFFAOYSA-N,3,1,0.416,0,688,411.412,4.552,4,0.444,0.81,1.0,0.5725532862723597,0.5603025837845247,0.7755979713522034,0.6313909259132342,0.6349611918305805
EOS-3-45091,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5c(C)cccc5F)n34)nn2C)cn1,CWLMCYFFAGKSRY-UHFFFAOYSA-N,3,1,0.375,95,956,416.42,3.53,5,0.442,0.65,1.0,0.38544308135151806,0.3341015009252279,0.29969673086148996,0.2488091974504832,0.31701262764717975
EOS-3-45092,CCn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,FQMIMLXGKSFIDE-UHFFFAOYSA-N,3,1,0.329,8,474,480.923,4.242,6,0.337,0.74,1.0,0.16793742718113905,0.2129309163182784,0.09933349324926324,0.19619971215132617,0.1691003872250017
EOS-3-45093,Cc1nc(-c2ccc(F)nc2)c(-c2cncc3nnc(-c4ccc(Cl)nc4)n23)n1C,YMQSZCHPOLTPPL-UHFFFAOYSA-N,3,1,0.364,50,155,420.839,3.75,5,0.413,0.6,0.722,0.1987440888218765,0.37287540264546637,0.4103214310191214,0.49796107189363303,0.3699754985950243
EOS-3-45094,Cc1noc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc(Cl)n2)n1,GKNLCFFOAZDFLP-UHFFFAOYSA-N,3,1,0.432,27,69,470.827,4.11,5,0.338,0.72,1.0,0.7105321773696114,0.7050921801110274,0.6025546569803304,0.5381228154341717,0.6390754574737852
EOS-3-45095,Cc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5F)n34)cn2)no1,VZUHHQIRPYERID-UHFFFAOYSA-N,3,1,0.434,7,408,487.455,2.55,6,0.363,0.79,1.0,0.3921167157837023,0.3249520252210267,0.0480090466726064,0.060610993077924745,0.20642219518881502
EOS-3-45096,Cc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)cc(-c2cnn(C)c2)n1,UVIBENAUHHGCJI-UHFFFAOYSA-N,3,1,0.467,20,658,413.445,2.307,5,0.417,0.64,1.0,0.3195719964361593,0.14891028716331986,0.1352717428551847,0.085026728805428,0.172195188815023
EOS-3-45097,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccnc(N5Cc6ccccc6C5=O)n4)n23)cc1,GOYOYQXVEQKFFC-UHFFFAOYSA-N,3,1,0.312,52,302,488.511,3.301,7,0.403,0.79,1.0,0.1760160372832568,0.1237492289767665,0.03206599958878761,0.057621136316907684,0.09736310054142965
EOS-3-45098,c1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)s2)nc1,NFLMAEONZYYRRE-UHFFFAOYSA-N,3,1,0.297,86,723,440.517,4.495,6,0.398,0.58,1.0,0.12116201768213282,0.1603899664176547,0.14731683914741964,0.1936896031800425,0.15563960660681242
EOS-3-45099,Cc1cncc(-c2cccc(CCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)n1,ZFBZNFGJKGCNLN-UHFFFAOYSA-N,3,1,0.36,85,290,444.449,4.07,5,0.39,0.52,0.999,0.3623809197450483,0.41557295593173876,0.4785312864094305,0.4106812418614214,0.41679160098690976
EOS-3-45100,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cncnn4)n23)c1,MRYFSKCDGTYDPD-UHFFFAOYSA-N,3,1,0.378,31,211,414.433,1.876,5,0.393,0.62,1.0,0.23159824549379754,0.05258378452470701,0.051632855870056886,0.04273182098553903,0.09463667671852512
EOS-3-45101,Cc1nc(-c2nnc3cncc(OCc4scnc4C)n23)ccc1-c1ncccn1,AZGZDNLALKCFBP-UHFFFAOYSA-N,3,1,0.416,7,242,416.47,3.296,5,0.43,0.63,1.0,0.40944760468782126,0.27921321362483725,0.04801761359742307,0.03144061407717086,0.1920297614968131
EOS-3-45102,Cn1nc(-c2nnc(C(F)F)n2C)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,ADXDRTFJVPEGJX-UHFFFAOYSA-N,3,1,0.381,53,105,472.847,2.885,5,0.37,0.57,0.819,0.36019635391679805,0.5412754437667056,0.13528030978000138,0.17168974025083955,0.30211046192858615
EOS-3-45103,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)s5)n34)nc2)nc1,QKJCXGZBVIRISU-UHFFFAOYSA-N,3,1,0.298,76,368,441.451,4.771,6,0.389,0.64,1.0,0.2881142485093551,0.3203430196696594,0.4214155986567062,0.4613117675279282,0.3727961585909122
EOS-3-45104,Fc1cc(Cn2nnc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)n2)c(F)cn1,WONINGAMQDORDB-UHFFFAOYSA-N,3,1,0.295,10,342,469.419,2.623,6,0.35,0.55,0.732,0.2070968405181276,0.2383489822493318,0.16620690836817217,0.29351997806867247,0.226293177301076
EOS-3-45105,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(C)cnc5Cl)n34)nc2F)nc1,UUQDDLSEGJLTEJ-UHFFFAOYSA-N,3,1,0.387,46,62,462.876,4.027,5,0.361,0.6,1.0,0.7873860598999384,0.6901600301555754,0.43992872318552534,0.42037043382907274,0.5844613117675279
EOS-3-45106,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1,MOEJEXAMBVFOIS-UHFFFAOYSA-N,3,1,0.647,88,70,464.451,4.714,5,0.349,0.69,1.0,0.8793691316565005,0.7327547803440477,0.9085909122061545,0.8839952710575012,0.851177523816051
EOS-3-45107,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)nc(C)n2)cn1,LXLXDHDWOHIOND-UHFFFAOYSA-N,3,1,0.563,18,330,476.903,4.069,5,0.361,0.64,1.0,0.7676992666712357,0.6609639503803715,0.47495887876088,0.4676255911178123,0.5928119217325749
EOS-3-45108,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccnc(F)c5)n34)ncn2)c(F)c1,ULECSPJEWHPTGP-UHFFFAOYSA-N,3,1,0.495,73,354,436.357,3.035,5,0.387,0.51,1.0,0.6556438900692207,0.7279144678226304,0.683023781783291,0.677686587622507,0.6860671818244123
EOS-3-45109,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccnc(F)c5)cn4)n23)cn1,QUCZCEDCOXUATE-UHFFFAOYSA-N,3,1,0.385,80,855,480.467,3.157,6,0.331,0.71,1.0,0.6094938660818313,0.5603111507093413,0.30697005003084094,0.2609656637653348,0.4344351826468371
EOS-3-45111,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cc1F,ZKWLKSKQLWKTQV-UHFFFAOYSA-N,3,1,0.464,87,307,461.888,4.366,5,0.371,0.61,1.0,0.7900932081420053,0.7765660338564869,0.6993009389349599,0.7089729970529779,0.7437332944966075
EOS-3-45112,Cc1c(F)ccc(Cc2cncc3nnc(-c4cc(F)c(CF)cc4F)n23)c1Cl,SITDLXNPMVBIFO-UHFFFAOYSA-N,3,1,0.351,23,225,420.797,5.231,4,0.424,0.7,0.999,0.5279453087519704,0.7096583510383113,0.9910475635665822,0.9943629634706326,0.8057535467068742
EOS-3-45113,Fc1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cc1C(F)F,FTEJXIBFNHVGDT-UHFFFAOYSA-N,3,1,0.359,50,450,409.335,2.906,5,0.45,0.72,0.998,0.020209375642519362,0.23835754917414845,0.8321054074429443,0.8187238708793092,0.47734905078473033
EOS-3-45114,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)nc1,BTPQYSRZJXLMOH-UHFFFAOYSA-N,3,1,0.456,2,422,451.824,4.154,5,0.371,0.58,1.0,0.8536940579809471,0.8016414227948736,0.8747943938043999,0.8783582345281338,0.8521220272770886
EOS-3-45115,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COc4cncc(F)c4)n23)cc1,VTUITRZWILVCDE-UHFFFAOYSA-N,3,1,0.448,63,536,404.405,2.797,5,0.531,0.84,1.0,0.512173600164485,0.31511719553149203,0.29244054554177235,0.33418717017339455,0.363479627852786
EOS-3-45116,N#Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)n1,VBSFAVXFGHNPHS-UHFFFAOYSA-N,3,1,0.311,52,376,487.527,3.808,6,0.375,0.83,0.128,0.03269138510040436,0.013698512781851826,0.004189226235350558,0.02869063121102049,0.01981743883215681
EOS-3-45118,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccsc5C)ccn4)n23)cn1,SWAWBAJLHVSCDY-UHFFFAOYSA-N,3,1,0.525,4,205,414.494,4.506,5,0.421,0.76,1.0,0.37403193749571656,0.3916883695428689,0.49237543691316565,0.3730296072921664,0.40778133781097936
EOS-3-45119,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)ccn4)n23)cc1F,FAXBRGGJKGFHGJ-UHFFFAOYSA-N,3,1,0.48,89,788,486.511,3.363,5,0.375,0.76,1.0,0.4094561716126379,0.2741330272085532,0.32176512918922623,0.17997395654855733,0.2963320711397437
EOS-3-45120,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(-c3ncn(-c4cccnc4F)n3)n12,OXBNSCBLPVLJSK-UHFFFAOYSA-N,3,1,0.389,22,681,442.336,3.314,5,0.304,0.64,0.109,0.09565828250291275,0.5092779795764513,0.8371855938592283,0.8443475430059626,0.5716173497361388
EOS-3-45121,Clc1cnc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cscn5)n4)n23)nc1,DCCUQKJAPMMPHP-UHFFFAOYSA-N,3,1,0.287,76,588,470.909,3.877,6,0.377,0.59,0.873,0.1160047289424988,0.22829141251456378,0.08742546775409499,0.16629257761633884,0.1495035467068741
EOS-3-45122,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cnc(C#N)cn5)c4)n23)nn1,PXBCUGULZIJSAO-UHFFFAOYSA-N,3,1,0.404,53,587,423.4,1.587,5,0.405,0.52,0.995,0.5699318072784594,0.43809540127475843,0.11828353094373244,0.10057569734768007,0.3067216092111576
EOS-3-45123,Cc1cncc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)c1,HQLGPDKHQUMEHC-UHFFFAOYSA-N,3,1,0.453,65,466,410.441,2.968,5,0.421,0.74,1.0,0.5483003221163731,0.27414159413336986,0.2961757247618395,0.26972106092796927,0.3470846754848879
EOS-3-45124,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)c(F)n4)n23)ncc1Cl,UMUBEXOROLVTBW-UHFFFAOYSA-N,3,1,0.436,46,469,469.814,4.293,5,0.354,0.64,1.0,0.6774724145020903,0.7891679802618052,0.8591768898636145,0.8797375094236173,0.8013886985127818
EOS-3-45125,OCc1cc(F)ccc1-c1nnc2cncc(-c3ccc(-c4cc(F)c(F)cn4)cc3Cl)n12,KWEYUDWHBSXTJO-UHFFFAOYSA-N,3,1,0.316,45,102,467.838,5.083,5,0.399,0.67,0.905,0.45325885820026046,0.709666917963128,0.9846652045781646,0.9899252964155987,0.7843790692892879
EOS-3-45127,Fc1ccccc1-c1nccnc1-c1nnc2cncc(-c3cn(-c4ccc(Cl)nc4)nn3)n12,OZIXPWDWVQUMLI-UHFFFAOYSA-N,3,1,0.322,39,144,470.859,3.684,6,0.358,0.58,1.0,0.01160818312658488,0.15282537180453704,0.3889726543759852,0.5513330135014735,0.27618480570214515
EOS-3-45128,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)cnc2Cl)nc1,MIBYOHKCCAAVGO-UHFFFAOYSA-N,3,1,0.448,2,491,440.851,3.471,5,0.382,0.58,1.0,0.7229028168048797,0.7421783976423822,0.32902988143376055,0.3980964293057364,0.5480518812966897
EOS-3-45129,Fc1cnc(-c2ncccc2-c2nnc3cncc(-c4nnc(-c5cccc(Cl)n5)[nH]4)n23)nc1,DNZGWQWZXFGOGJ-UHFFFAOYSA-N,3,1,0.286,10,407,471.847,3.283,6,0.384,0.58,0.361,0.2453138921252827,0.3151257624563087,0.17282057432663972,0.30275512302104035,0.25900383798231785
EOS-3-45131,OCc1nccc2c(Cl)nc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cc12,SZNABCAAUCAODG-UHFFFAOYSA-N,3,1,0.326,38,787,471.933,4.671,6,0.373,0.69,0.999,0.239993831814132,0.372883969570283,0.6261222671509835,0.67469673086149,0.47842419984922213
EOS-3-45132,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nc2F)no1,NPYHLDKDNPLCGL-UHFFFAOYSA-N,3,1,0.447,18,578,436.382,2.839,5,0.37,0.57,1.0,0.6496384757727366,0.527594064834487,0.26654273182098553,0.26097423069015147,0.4261873757795901
EOS-3-45133,CC(=O)Oc1ccncc1-c1cncc2nnc(-c3ccc(Cl)c(-c4ncc(Cl)cn4)c3)n12,OPTKYBOLTULXHM-UHFFFAOYSA-N,3,1,0.333,73,575,478.299,4.542,5,0.347,0.75,1.0,0.48958261942293196,0.48175245014049756,0.6114385580152149,0.6168271537248989,0.5499001953258859
EOS-3-45134,CC(C)n1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)c(F)c1,IHGHEWILCQVSJM-UHFFFAOYSA-N,3,1,0.333,67,642,480.511,4.232,6,0.364,0.7,1.0,0.2206411486532794,0.2536152422726338,0.3363631690768282,0.2873860598999383,0.27450140497566994
EOS-3-45135,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)n1,KSFJCAYILICPRG-UHFFFAOYSA-N,3,1,0.489,65,262,411.429,2.363,5,0.415,0.73,1.0,0.6680487972037558,0.5367092728394216,0.07143101912137619,0.04948255774107326,0.3314179117264068
EOS-3-45136,Cc1ccnc(CCOc2cncc3nnc(-c4cnnc(-c5c(F)ccc(F)c5F)c4)n23)c1,RYUULXQKAUOXHC-UHFFFAOYSA-N,3,1,0.474,37,778,463.423,3.991,5,0.352,0.61,0.998,0.7585069563429512,0.8094458913028579,0.8017956274415736,0.7856898087862381,0.7888595709684052
EOS-3-45137,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)cn1,CSUAYCWHBQLGEC-UHFFFAOYSA-N,3,1,0.512,1,700,412.428,4.275,5,0.429,0.77,1.0,0.7845675416352547,0.7973065588376397,0.6804879720375574,0.6659584675484888,0.7320801350147351
EOS-3-45139,COc1c(-c2ccccc2)ccc(-c2nnc3cncc(Oc4ncccc4Cl)n23)c1F,KGJVPPWBANGBFF-UHFFFAOYSA-N,3,1,0.432,57,417,447.857,5.447,5,0.357,0.78,1.0,0.8537026249057639,0.8617041326845316,0.8591854567884313,0.8406723322596121,0.8538161366595847
EOS-3-45140,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)s4)n23)c(F)c1,ZBJTXHRRNJKTCZ-UHFFFAOYSA-N,3,1,0.296,52,523,474.521,4.823,6,0.392,0.74,0.155,0.17893735864574054,0.24874066205194983,0.15363066273730383,0.2111147282571448,0.19810585292303476
EOS-3-45141,Cc1ccc(Cc2cnc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)nc5)n34)s2)cn1,JSWGBSBOQKYBET-UHFFFAOYSA-N,3,1,0.316,70,968,465.546,4.005,6,0.379,0.62,0.999,0.048334589815639775,0.10113254746076349,0.18233842779795764,0.1479422246590364,0.11993694743334932
EOS-3-45142,Fc1cnnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c2)c1,AVEULHDNEDKQKT-UHFFFAOYSA-N,3,1,0.442,46,128,450.384,3.694,5,0.386,0.5,1.0,0.4895911863477486,0.5739496950174765,0.8210369405798095,0.7739788225618532,0.664639161126722
EOS-3-45143,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccn1,UYCXXLRDJUOMBF-UHFFFAOYSA-N,3,1,0.542,75,359,416.42,2.742,5,0.393,0.62,1.0,0.6680573641285724,0.4863700226166815,0.34760297443629634,0.2965441025289562,0.4496436159276266
EOS-3-45144,Fc1cc(-c2ncc[nH]2)ccc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3Cl)n12,DIGVCXZRGIUQIN-UHFFFAOYSA-N,3,1,0.313,41,192,457.856,5.296,6,0.386,0.71,0.994,0.35313720786786373,0.4863785895414982,0.8848348296895346,0.9050270714824207,0.6573444246453293
EOS-3-45145,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5sncc5Cl)n34)cc2F)cn1,XEOLDUUTRAEPFH-UHFFFAOYSA-N,3,1,0.538,51,716,453.89,4.385,5,0.39,0.64,1.0,0.7929716948804058,0.7635700089096018,0.5896700020560619,0.6199540812829827,0.6915414467822631
EOS-3-45146,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)nc5Cl)n34)c2)s1,JLSIYTQAZJBJTL-UHFFFAOYSA-N,3,1,0.495,87,142,468.905,3.822,5,0.346,0.64,1.0,0.6207251045164828,0.7001576314166267,0.29618429168665616,0.35024158727983,0.49182715372489894
EOS-3-45147,CCn1cc(-c2nnc3cncc(-c4ccc(-n5ccnc5C)cn4)n23)c(-c2ccc(F)cn2)n1,UTUOPLKVUXWBEJ-UHFFFAOYSA-N,3,1,0.278,86,968,466.484,3.765,6,0.381,0.54,1.0,0.020217942567336028,0.09487012541977932,0.20250496881639365,0.20211089027482695,0.129925981769584
EOS-3-45148,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc(C)nnn6)cn5)n34)cc2)ncn1,CXCDKXNAWIRMHC-UHFFFAOYSA-N,3,1,0.278,38,193,458.489,3.779,6,0.388,0.52,1.0,0.09320814200534576,0.09487869234459598,0.3329535329997944,0.2847046124323213,0.20143624494551438
EOS-3-45149,OCc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(CO)n5)n34)ncn2)cc1,HUJPPQYQGPQXNY-UHFFFAOYSA-N,3,1,0.412,7,238,442.439,1.602,5,0.381,0.56,0.747,0.404864299910904,0.22332259612089644,0.3034147762319238,0.2313926392981975,0.2907485778904804
EOS-3-45150,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)cc(C)n2)ccn1,FYKDNOFWSALTFQ-UHFFFAOYSA-N,3,1,0.462,4,606,457.925,4.801,5,0.374,0.65,1.0,0.6319649098759509,0.560319717634158,0.6234922212322664,0.5282965526694537,0.5860183503529572
EOS-3-45151,COc1nnc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cs2)o1,KJOZJAHQPFUAAN-UHFFFAOYSA-N,3,1,0.387,92,662,424.446,2.532,5,0.405,0.55,0.975,0.2557484065519841,0.14502947022136933,0.0242443972311699,0.007161949146734288,0.1080460557878144
EOS-3-45152,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cn2)cn1,RRPKQPJUXVFOCZ-UHFFFAOYSA-N,3,1,0.539,65,981,449.927,4.288,5,0.382,0.6,1.0,0.6921732574874923,0.8250633952436434,0.37408333904461655,0.37608799945171684,0.5668519978068672
EOS-3-45153,COc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)c1,HWDRXWCVOQDGCL-UHFFFAOYSA-N,3,1,0.38,69,987,456.509,5.591,6,0.336,0.84,1.0,0.2233911315194298,0.16832293879788912,0.8402182852443287,0.7903587828113221,0.5055727845932425
EOS-3-45154,Cn1nnnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c1,PGQURHXPXYPEEJ-UHFFFAOYSA-N,3,1,0.427,33,512,486.471,1.987,6,0.366,0.74,0.985,0.3270337879514769,0.2586354602152012,0.06725892673565896,0.10058426427249674,0.18837810979370845
EOS-3-45155,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,SQSQUFDMCDIIRW-UHFFFAOYSA-N,3,1,0.627,35,4,409.453,3.573,5,0.423,0.78,1.0,0.6921818244123089,0.5367178397642383,0.47496744568569665,0.3890411897745185,0.5232270749091906
EOS-3-45156,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)cc4Cl)n23)c(OC)c1,UOOUHQUCUJUMCW-UHFFFAOYSA-N,3,1,0.351,61,124,486.923,3.64,5,0.399,0.75,1.0,0.42078164622027275,0.3777157151668837,0.432509766294291,0.3184154615859091,0.38735564731683914
EOS-3-45157,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)c(F)cn5)n34)c2)ccn1,OMUAZJVDEOGVJL-UHFFFAOYSA-N,3,1,0.469,87,307,465.851,4.196,5,0.347,0.62,1.0,0.790101775066822,0.82507196216846,0.8466263450071962,0.8600507161949147,0.8304626996093483
EOS-3-45158,COc1ccnnc1COc1cncc2nnc(-c3cc(-c4cnc(C)o4)ncn3)n12,KXTLRRKOSYFSPQ-UHFFFAOYSA-N,3,1,0.354,31,238,417.389,1.922,5,0.4,0.61,0.999,0.1931584538414091,0.05633609759440751,0.06324103899664177,0.02670310465355356,0.08485967377150298
EOS-3-45159,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)ncn2)c1,WXTXZGRQTJHXEG-UHFFFAOYSA-N,3,1,0.408,18,194,466.839,3.591,5,0.35,0.59,0.754,0.8145774792680419,0.727923034747447,0.7044753615242273,0.7358817079021315,0.745714395860462
EOS-3-45160,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c(Cl)n2)nc1,VOZRQUMAQFPJQV-UHFFFAOYSA-N,3,1,0.495,73,263,466.839,3.591,5,0.35,0.59,1.0,0.8813138235898842,0.9060808032348708,0.4821208279076143,0.5611849770406415,0.7076751079432527
EOS-3-45161,COc1cnccc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)cnn3)n12,JGACWOILAFPAIW-UHFFFAOYSA-N,3,1,0.424,65,466,427.428,2.063,5,0.381,0.53,0.999,0.4161212391200055,0.1413970940991022,0.16941950517442259,0.1115327941881982,0.20961765814543212
EOS-3-45162,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)nc1,WXYBNISBXQTFBH-UHFFFAOYSA-N,3,1,0.5,2,491,453.359,3.779,5,0.296,0.69,1.0,0.8514066890548968,0.8250805290932767,0.919899252964156,0.9061664724830375,0.8756382358988417
EOS-3-45163,Cc1nccc(-c2cc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2Cl)n1,MRCQTYSUPXIMIH-UHFFFAOYSA-N,3,1,0.356,14,81,463.879,5.134,5,0.359,0.71,1.0,0.39010348845178533,0.4958964430128161,0.8871650332396683,0.8617384003837982,0.6587258412720169
EOS-3-45164,Fc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,IPKLWCZCBDGVIR-UHFFFAOYSA-N,3,1,0.444,65,466,415.392,2.194,5,0.385,0.65,1.0,0.6235778904804331,0.5004112123912,0.2997052977863066,0.27877630045918717,0.42561767527928174
EOS-3-45165,Cc1nn(C)cc1COc1cncc2nnc(-c3ccc(-c4cnnn4C)c(F)n3)n12,UEKZNYOOOPEGFP-UHFFFAOYSA-N,3,1,0.402,31,105,420.412,1.742,5,0.395,0.58,0.976,0.28263141662668767,0.3099684737166747,0.08743403467891166,0.061998834898224935,0.18550818998012472
EOS-3-45166,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4nccc(-c5cncc(Cl)c5)n4)n23)o1,DVWCORWPOSYWLT-UHFFFAOYSA-N,3,1,0.288,80,34,471.868,4.083,6,0.366,0.65,1.0,0.43433452128024125,0.31513432938112534,0.2779453087519704,0.272539579192653,0.3249884346514975
EOS-3-45167,CCOCc1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cn1,XKRPGYZMXOUITF-UHFFFAOYSA-N,3,1,0.573,90,811,412.4,3.018,4,0.44,0.64,1.0,0.5982626276471797,0.7096754848879446,0.6114471249400315,0.5283051195942704,0.6119225892673565
EOS-3-45168,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5cccs5)c4)n23)n1,ZZQVYKWNKRUSFY-UHFFFAOYSA-N,3,1,0.433,87,858,449.927,4.288,5,0.382,0.59,1.0,0.6526283325337536,0.6609725173051881,0.22015283393872936,0.28471317935713797,0.4546167157837023
EOS-3-45169,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3cc(F)c(-c4cnco4)c(F)c3)n12,SDLSVOMGCSOBRB-UHFFFAOYSA-N,3,1,0.312,8,754,472.419,3.46,6,0.371,0.58,0.672,0.21511548214652867,0.32035158659447605,0.17598176958399014,0.2935285449934891,0.25124434582962096
EOS-3-45170,FCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,RRRHQBJGQWKXSG-UHFFFAOYSA-N,3,1,0.311,69,898,447.477,5.311,6,0.358,0.73,1.0,0.23160681241861422,0.17694983208827358,0.786854910561305,0.7811579055582208,0.49414236515660337
EOS-3-45171,Cc1cncc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)n2)n1,RTKYXSYQRZKTHF-UHFFFAOYSA-N,3,1,0.467,89,408,485.483,2.625,5,0.352,0.69,1.0,0.3831814131999178,0.0887790418751285,0.13859570968405183,0.07814748817764375,0.17217591323418543
EOS-3-45172,COc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCc3cc(F)cnc3F)n12,MDXPMWWFOXCQOS-UHFFFAOYSA-N,3,1,0.456,97,91,452.446,4.176,5,0.357,0.64,1.0,0.8444332122541293,0.7327633472688644,0.7802840792269207,0.6776951545473237,0.7587939483243095
EOS-3-45173,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)[nH]c1F,ZHBFTIVSQXDMBH-UHFFFAOYSA-N,3,1,0.477,13,145,438.825,5.214,5,0.416,0.7,1.0,0.7075423206085943,0.7973151257624563,0.9033993557672538,0.9095332739359879,0.829447519018573
EOS-3-45174,Fc1cc(-c2nnc3cncc(Cc4csc(-c5cnccn5)c4)n23)c(F)cc1Cl,HGCKPKYQZWVMLB-UHFFFAOYSA-N,3,1,0.313,73,575,440.866,4.832,5,0.374,0.64,0.998,0.36461688712219864,0.5183674868069358,0.8812452881913508,0.9083681721609211,0.6681494585703516
EOS-3-45175,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)on1,KZFGYJBZGFSRFW-UHFFFAOYSA-N,3,1,0.54,75,496,417.404,3.305,5,0.414,0.63,1.0,0.6526368994585704,0.5320317318895209,0.43610787471729145,0.38560585292303473,0.5015955897471044
EOS-3-45176,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)cn4)n23)cc1Cl,HGQSKUOMKREYCQ-UHFFFAOYSA-N,3,1,0.463,16,401,476.859,3.114,5,0.369,0.6,1.0,0.6587708176273045,0.505054485641834,0.5637807552600919,0.5317318895209375,0.5648344870125419
EOS-3-45177,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(C#N)c4)n23)c1,HKHKHEPUONJTBN-UHFFFAOYSA-N,3,1,0.512,16,82,443.467,4.208,5,0.401,0.6,1.0,0.8145860461928586,0.8057963813309574,0.6501781920361867,0.592711260365979,0.7158179699814955
EOS-3-45178,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cnnnc5)ncn4)n23)cc1,CKJUHRBWTBKIFE-UHFFFAOYSA-N,3,1,0.438,71,415,463.465,2.413,6,0.362,0.53,1.0,0.32704235487629363,0.17256356658213967,0.2779538756767871,0.20802206839832774,0.24639546638338702
EOS-3-45179,N#Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)sn1,DLHVKUSPTJVINZ-UHFFFAOYSA-N,3,1,0.429,7,395,419.455,2.612,5,0.422,0.56,0.729,0.45102289082311015,0.41087828113220476,0.09665204578164623,0.10691522171201426,0.2663671098622438
EOS-3-45180,COc1cc(-c2nnc3cncc(OCc4sncc4C)n23)ccc1-c1cocn1,VJNGDTQMLHQNSR-UHFFFAOYSA-N,3,1,0.482,16,591,420.454,3.799,5,0.409,0.61,1.0,0.43217565622644094,0.3203601535192927,0.2665512987458022,0.1663011445411555,0.29634706325817284
EOS-3-45181,CCn1cncc1-c1cc(OC)cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)c1,CEHVFKAWDSRADH-UHFFFAOYSA-N,3,1,0.469,26,619,459.485,3.839,5,0.348,0.58,1.0,0.5725618531971763,0.37772428209170034,0.5800579124117606,0.43615070934137484,0.49162368926050304
EOS-3-45182,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nccc(-c5cscn5)n4)n23)cc1,JXVWSWAALZSEAR-UHFFFAOYSA-N,3,1,0.422,56,428,468.506,3.079,6,0.363,0.58,1.0,0.4485213487766431,0.28975053114933863,0.09437324378041258,0.07815605510246042,0.22770029470221367
EOS-3-45183,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5sncc5C)n34)cc2Cl)cs1,FDAJQDRIKQGAMG-UHFFFAOYSA-N,3,1,0.543,16,214,454.968,5.221,5,0.362,0.76,1.0,0.4871239120005483,0.6315965321088343,0.34365362209581246,0.3730381742169831,0.4588530601055445
EOS-3-45184,COCc1nccc(COc2cncc3nnc(-c4cccc(-c5cc(C)nc(CF)n5)c4)n23)n1,JZKRRCPZJIQLFO-UHFFFAOYSA-N,3,1,0.45,4,506,472.484,3.542,5,0.334,0.64,1.0,0.5404444520594888,0.3535998218079638,0.1759903365088068,0.11392296621204852,0.295989394147077
EOS-3-45185,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)nc2)s1,LTACKPXNPIMRAB-UHFFFAOYSA-N,3,1,0.449,59,445,454.437,4.615,5,0.361,0.69,1.0,0.7198529915701459,0.6706103077239394,0.8720615447878829,0.8306061956000275,0.773282759920499
EOS-3-45186,Fc1ccc(-c2ncc(Cl)cc2COc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc1,RTMDZTHOXOTFIB-UHFFFAOYSA-N,3,1,0.451,46,915,468.279,4.668,5,0.37,0.62,1.0,0.8514152559797136,0.867341169213899,0.7503426769926667,0.8347097525872113,0.8259522136933727
EOS-3-45187,COCc1cc(-c2cc[nH]n2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,OHJCIEMWLGHKLW-UHFFFAOYSA-N,3,1,0.442,16,772,465.876,4.094,5,0.386,0.58,1.0,0.7198615584949627,0.5739582619422932,0.8546963881844973,0.810114111438558,0.7396575800150779
EOS-3-45188,COCn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)n1,HBMWRQPNNSIBNW-UHFFFAOYSA-N,3,1,0.315,50,974,421.812,1.554,5,0.384,0.56,0.637,0.1958913028579261,0.30997704064149134,0.020466383387019397,0.0480347474470564,0.14359236858337332
EOS-3-45189,CCc1cncc(COc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)n1,VIVWGOKVPSFOEB-UHFFFAOYSA-N,3,1,0.447,7,815,410.441,3.18,5,0.42,0.73,1.0,0.3670156260708656,0.39169693646768555,0.2097097525872113,0.17169830717565623,0.28503015557535466
EOS-3-45190,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)cc1,RKXXLJYIXUGPOA-UHFFFAOYSA-N,3,1,0.525,51,943,407.397,2.489,5,0.431,0.81,1.0,0.7818432595435543,0.7806867246933041,0.41032999794393804,0.3760965663765335,0.5872391371393325
EOS-3-45191,CCOc1nc(C)ncc1-c1nc(COc2cncc3nnc(-c4ccc(C)nc4)n23)ccc1F,KNZRCOZQGVSVJU-UHFFFAOYSA-N,3,1,0.448,4,205,472.484,3.772,5,0.349,0.64,1.0,0.609502433006648,0.6179665547255158,0.24875779590158317,0.14076314166266876,0.4042474813241039
EOS-3-45192,Cc1nn(C)cc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,IQECOUVCMZHJSO-UHFFFAOYSA-N,3,1,0.557,75,583,412.457,2.912,5,0.423,0.71,1.0,0.3270509218011103,0.17695839901309027,0.1294976355287506,0.10059283119731341,0.18352494688506615
EOS-3-45193,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(F)c6F)nn5)n34)cn2)cn1,OLRGIWSRLQLNIA-UHFFFAOYSA-N,3,1,0.292,10,705,483.442,3.783,6,0.365,0.77,0.996,0.14026626002330203,0.34420190528407923,0.6414484956480022,0.6045593173874306,0.4326189945857035
EOS-3-45194,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)c1F,VUONNTGFCHNYAA-UHFFFAOYSA-N,3,1,0.342,38,787,454.494,4.516,6,0.389,0.57,1.0,0.11329758070043178,0.2233311630457131,0.5063566582139675,0.5013621410458502,0.33608688575149065
EOS-3-45195,Fc1cc(-c2nccnc2-c2nnc3cncc(-c4cnc(C(F)F)nn4)n23)cc(F)n1,ZQZMWTHPXCQNMZ-UHFFFAOYSA-N,3,1,0.268,50,206,440.324,2.711,5,0.307,0.59,0.664,0.25862689329038446,0.32036872044410936,0.4138338701939552,0.45822767459392777,0.3627642896305942
EOS-3-45196,Cc1nnsc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,UWNOEMILFZDHFE-UHFFFAOYSA-N,3,1,0.512,92,69,452.45,3.925,5,0.382,0.62,1.0,0.4343430882050579,0.4817610170653142,0.5236618463436364,0.4329980810088411,0.46819100815571235
EOS-3-45197,OCc1cc(F)ccc1-c1nnc2cncc(-c3ccc(-c4cc(F)ncc4F)cc3F)n12,JRDHLPGKRFANBO-UHFFFAOYSA-N,3,1,0.321,45,46,451.383,4.569,5,0.32,0.71,0.232,0.4697073538482626,0.737492289767665,0.9863100541429648,0.9876550613391817,0.7952911897745185
EOS-3-45198,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccn5)s4)n23)cc1,NJCVCLAMIPANDJ-UHFFFAOYSA-N,3,1,0.534,40,415,467.518,3.684,6,0.365,0.61,1.0,0.4138510040435885,0.32496059214584333,0.13860427660886848,0.13174216983071757,0.25228951065725447
EOS-3-45199,Fc1cc(COc2cncc3nnc(-c4nccnc4-c4nccs4)n23)cnc1F,WTDCBOGZTMPDKH-UHFFFAOYSA-N,3,1,0.4,46,62,424.396,2.957,5,0.397,0.58,0.998,0.5534747447056405,0.48638715646631486,0.27406449181001985,0.30276368994585706,0.4041725207319581
EOS-3-45200,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5cnc(C)nc5-c5ccncc5)n34)cn2)n1,CLHKXVYJOKMCEX-UHFFFAOYSA-N,3,1,0.312,86,790,458.489,3.779,6,0.388,0.5,0.997,0.14888458638886984,0.07855013364402715,0.2272205469124803,0.19620827907614283,0.16271588650538002
EOS-3-45201,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)ccn1,IRBUYQSTGYKCDS-UHFFFAOYSA-N,3,1,0.455,18,181,414.404,2.799,5,0.391,0.65,1.0,0.6587793845521211,0.5739668288671098,0.43611644164210817,0.4011890891645535,0.5175129360564731
EOS-3-45202,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4cscn4)cnn3)n12,KPOVOTZGPDMURJ-UHFFFAOYSA-N,3,1,0.421,54,873,454.878,3.514,5,0.384,0.53,0.99,0.6125608251661984,0.5550938934959907,0.4577907614282777,0.5283136865190871,0.5384397916523884
EOS-3-45203,Cc1ncc(-c2cccc(-c3nnc4cncc(Oc5cc(Cl)ccc5F)n34)c2)o1,AZSQVBDKBUUKOI-UHFFFAOYSA-N,3,1,0.518,13,145,421.819,5.34,5,0.39,0.78,1.0,0.8466948804057296,0.8323795490370777,0.8894095675416352,0.8826416969364677,0.8627814234802276
EOS-3-45204,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c(F)c2)cn1,ABLPSDRTZSZCNV-UHFFFAOYSA-N,3,1,0.484,37,132,478.875,3.461,5,0.347,0.64,1.0,0.8120074018230417,0.8426769926667124,0.4361250085669248,0.4139538071413885,0.6261908025495169
EOS-3-45205,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)nc2)s1,ZFDXUJCEIBHWGR-UHFFFAOYSA-N,3,1,0.506,19,752,467.917,4.427,5,0.365,0.64,1.0,0.6651360427660887,0.7279316016722637,0.4470992392570763,0.5114796792543349,0.5879116407374408
EOS-3-45206,COCc1ccnc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ncn2)n1,RVUZEKFIHNALNO-UHFFFAOYSA-N,3,1,0.357,31,662,444.459,1.806,5,0.366,0.53,0.5,0.15714310191213762,0.037985744637105065,0.03473888013158796,0.01364711123295182,0.06087870947844561
EOS-3-45207,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4nc(Cl)cnc4Cl)n23)c1,VWASMJRMFQBTEK-UHFFFAOYSA-N,3,1,0.441,36,79,454.281,3.263,5,0.398,0.51,0.962,0.3602049208416147,0.4468507984373929,0.2961928586114728,0.39207388115961894,0.3738306147625248
EOS-3-45208,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)n2)s1,BPLBBNAGVIAMET-UHFFFAOYSA-N,3,1,0.354,32,541,466.505,4.881,6,0.365,0.66,0.999,0.10563018298951408,0.36319477760263175,0.35140668905489686,0.4361592762661915,0.31409773147830855
EOS-3-45209,Cc1cnc(COc2cncc3nnc(-c4nccnc4-c4cnc(C)nc4)n23)cn1,KVTCNROQIRSOEG-UHFFFAOYSA-N,3,1,0.363,7,535,412.417,2.024,5,0.422,0.65,1.0,0.2965184017545062,0.12734733739976697,0.04024741278870537,0.02236824069631965,0.12162034815982455
EOS-3-45210,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)nc2)s1,GXGLEDQWSGAFBC-UHFFFAOYSA-N,3,1,0.289,70,114,450.491,3.532,6,0.397,0.5,0.873,0.03960489342745528,0.07161949146734288,0.04469364676855596,0.05911178123500788,0.053757453224590496
EOS-3-45211,c1nc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cscn6)s5)n34)cc2)no1,BBBSSRVBBCPXHI-UHFFFAOYSA-N,3,1,0.483,40,8,461.492,3.395,6,0.364,0.59,1.0,0.40721163731067095,0.3870622301418683,0.03885957096840518,0.04668974025083956,0.21995579466794601
EOS-3-45212,Fc1cnccc1-c1cncc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,JATFXFTYRPTFMH-UHFFFAOYSA-N,3,1,0.465,2,419,451.824,4.154,5,0.371,0.59,1.0,0.8348810910835447,0.8058049482557741,0.9034079226920705,0.9050356384072373,0.8622824001096567
EOS-3-45213,Cc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(OCc3cc(F)c(Cl)cn3)n12,QGHWCSUUGQCFRV-UHFFFAOYSA-N,3,1,0.494,34,469,464.863,5.067,5,0.361,0.73,1.0,0.787394626824755,0.8556130491398808,0.8720701117126997,0.8855116167500514,0.8501473511068467
EOS-3-45214,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(-c5ncccn5)cn4)n23)cc1,HLSNIAVQSAPNDV-UHFFFAOYSA-N,3,1,0.559,89,731,486.923,3.278,5,0.372,0.74,1.0,0.652645466383387,0.47765746007813037,0.29971386471112327,0.23738091974504832,0.41684942772942224
EOS-3-45215,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)nc1,JFLPUTBXENENFO-UHFFFAOYSA-N,3,1,0.416,46,395,413.426,2.55,5,0.427,0.68,0.999,0.4255705571927901,0.309985607566308,0.2379977383318484,0.23738948666986498,0.3027358474402028
EOS-3-45216,Cc1csc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c(C)n2)n1,INHBLFLJXZEROM-UHFFFAOYSA-N,3,1,0.449,7,464,450.915,3.949,5,0.371,0.6,1.0,0.4895997532725653,0.685242615310808,0.09438181070522925,0.11630457131108217,0.3463821876499212
EOS-3-45217,Cn1nc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1ncc(F)cn1,JUDDUEBFSRWLGG-UHFFFAOYSA-N,3,1,0.438,31,569,418.396,1.532,5,0.404,0.56,1.0,0.477434720032897,0.26387841820300184,0.05737269549722432,0.062007401823041604,0.2151733088890412
EOS-3-45218,CCc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)nc4OC)n23)n1,MHAGBHGQTOPIIP-UHFFFAOYSA-N,3,1,0.414,31,804,457.498,2.569,5,0.346,0.55,0.988,0.32978377081762733,0.11101021177438147,0.020474950311836063,0.006896374477417586,0.11704132684531561
EOS-3-45219,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(F)c1,SEWLSBBKBBCNIO-UHFFFAOYSA-N,3,1,0.333,69,867,453.506,5.121,6,0.37,0.68,1.0,0.2692413131382359,0.33913885271742855,0.7200157631416627,0.7117743814680282,0.5100425776163389
EOS-3-45220,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)n(C)n5)ncn4)n23)cn1,LCLYGYLKIYHWSY-UHFFFAOYSA-N,3,1,0.467,92,463,413.445,2.573,5,0.432,0.66,1.0,0.28812281543417173,0.21293948324309506,0.12381776437529984,0.062015968747858266,0.17172400795010623
EOS-3-45221,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)[nH]1,AFFVPIULEOAEBU-UHFFFAOYSA-N,3,1,0.354,3,774,439.479,5.111,6,0.413,0.67,1.0,0.2345367007059146,0.4060893701596875,0.67510794325269,0.7716229182372696,0.5218392330888904
EOS-3-45222,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)nc1,BGEJGLKEYIWAQM-UHFFFAOYSA-N,3,1,0.625,11,922,434.912,4.585,5,0.389,0.58,1.0,0.8299551093139607,0.8617126996093483,0.6114556918648482,0.6517202385031869,0.738710934822836
EOS-3-45223,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5cc(-c6cccnn6)ccc5F)n34)nc2)c1,NXJBARNLVBILPK-UHFFFAOYSA-N,3,1,0.349,3,923,463.451,5.256,6,0.355,0.75,1.0,0.2800527722568707,0.4643958604619286,0.887173600164485,0.9106983757110547,0.6355801521485848
EOS-3-45224,FC(F)n1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)n1,YCSTZLOFMPQVIZ-UHFFFAOYSA-N,3,1,0.506,20,846,468.855,4.115,5,0.354,0.64,1.0,0.6467428551847029,0.7722997052977864,0.6444297854842026,0.6402234253992187,0.6759239428414776
EOS-3-45225,COc1nc(-c2nnc3cncc(OCc4cccc(Cl)c4C)n23)ccc1-c1nccc(C)n1,PDIOQMKJVMJTSC-UHFFFAOYSA-N,3,1,0.394,49,896,473.924,4.501,5,0.355,0.69,1.0,0.7135391679802618,0.5845555479405112,0.41384243711877183,0.32447227743129325,0.5091023576177096
EOS-3-45226,Cn1nccc1-c1ccnc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)c1,HSAWDIXDPHVUHV-UHFFFAOYSA-N,3,1,0.442,18,88,450.865,3.396,5,0.366,0.53,1.0,0.5483088890411898,0.45102289082311015,0.5171167157837023,0.5247412788705367,0.5102974436296347
EOS-3-45227,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)cn4)n23)cn1,WQUNHFSRPWEKQK-UHFFFAOYSA-N,3,1,0.364,32,20,464.92,4.969,6,0.366,0.7,1.0,0.20429545610307723,0.2792217805496539,0.602563223905147,0.6717925433486396,0.43946825097662945
EOS-3-45228,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccccc6F)cc5)n34)n2)nn1,SKYRNSMBBWISOE-UHFFFAOYSA-N,3,1,0.495,12,285,478.491,4.367,6,0.351,0.73,1.0,0.4532674251250771,0.5183760537317524,0.5865516414227949,0.5927198272907956,0.537728736892605
EOS-3-45229,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cnc2Cl)o1,ACCWRHACKASXNO-UHFFFAOYSA-N,3,1,0.596,84,73,450.861,4.564,5,0.35,0.68,1.0,0.8851004043588514,0.8673497361387157,0.7276831608525803,0.7197758892467959,0.7999772976492359
EOS-3-45230,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccs5)c(F)c4)n23)cc1,JKUKMEOPSBRMBP-UHFFFAOYSA-N,3,1,0.632,1,230,417.469,4.941,5,0.405,0.82,1.0,0.9566770612021109,0.8729439380439997,0.792937427181139,0.7462905215543828,0.8422122369954081
EOS-3-45231,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)s1,VNLIQDQDJXJDJN-UHFFFAOYSA-N,3,1,0.454,87,838,469.893,3.217,5,0.369,0.58,1.0,0.6010211774381468,0.6365567815776849,0.12950620245356725,0.1881810705229251,0.388816307998081
EOS-3-45232,Fc1cc(-c2ccnc(Cl)c2)cc(-c2nnc3cncc(OCCc4ccoc4)n23)c1,OUNFAUQDPZNKIB-UHFFFAOYSA-N,3,1,0.593,35,352,435.846,4.86,5,0.354,0.66,1.0,0.7646580083613186,0.755260091837434,0.882556027688301,0.8907974093619354,0.8233178843122473
EOS-3-45233,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)ccc2F)cn1,HSWUTKPOOOONGT-UHFFFAOYSA-N,3,1,0.518,16,394,437.385,3.583,5,0.391,0.53,1.0,0.7258841066410802,0.7096840518127613,0.9095589747104379,0.8797460763484339,0.8062183023781784
EOS-3-45234,c1ccc(-c2ncsc2COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)nc1,XKIAJGIRINTEFW-UHFFFAOYSA-N,3,1,0.413,6,297,465.502,3.741,6,0.362,0.63,1.0,0.4578164622027277,0.420079158385306,0.14732540607223632,0.15303097800013707,0.2945630011651018
EOS-3-45235,COc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cncc(-c4ccc(F)cn4)c3)n12,PFOMBCWWISYPDZ-UHFFFAOYSA-N,3,1,0.49,84,73,476.899,4.671,5,0.337,0.76,1.0,0.8868309231718182,0.8392159550407786,0.8210455075046261,0.7834024398601878,0.8326237063943527
EOS-3-45236,Cc1nnccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)c(Cl)c1,YJTRFQDFFVDZJE-UHFFFAOYSA-N,3,1,0.329,22,476,468.83,4.686,5,0.379,0.65,1.0,0.36021348776643136,0.5646117469673086,0.9397916523884586,0.905044205332054,0.6924152731135631
EOS-3-45237,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ncc(-c5ccsc5)cc4F)n23)cc1,FRNLAKLEHYUKED-UHFFFAOYSA-N,3,1,0.43,67,622,470.493,4.642,6,0.362,0.71,1.0,0.5807518333219107,0.5320402988143376,0.5097919950654513,0.4737338085120965,0.524079483928449
EOS-3-45238,COc1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(C)s5)c(C)n4)n23)c(C)n1,WSOFEPJQQHOMOK-UHFFFAOYSA-N,3,1,0.435,49,690,459.535,4.218,5,0.372,0.6,0.999,0.3986361455691865,0.2638869851278185,0.17599890343362345,0.06516859708039202,0.2259226578027551
EOS-3-45239,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c(F)c2)n1,QJCMXMKDMFWHHL-UHFFFAOYSA-N,3,1,0.436,52,451,483.507,4.324,6,0.386,0.76,1.0,0.5780703858542937,0.37773284901651705,0.3363717360016448,0.31842402851072577,0.4026497498457953
EOS-3-45240,CCn1nc(C)cc1-c1ccnc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,XNYHJFBBJYFFBR-UHFFFAOYSA-N,3,1,0.42,18,578,460.929,4.048,5,0.338,0.66,1.0,0.31462888081694196,0.21294805016791174,0.25938078267425124,0.2518333219107669,0.25969775889246793
EOS-3-45241,CCc1nc(-c2nnc3cncc(OCc4ccc(F)s4)n23)ccc1-c1cnc(C)nc1C,UXJBKIVXEVBAEE-UHFFFAOYSA-N,3,1,0.384,31,690,461.526,4.602,5,0.365,0.66,0.952,0.519729627852786,0.5183846206565691,0.23800630525666508,0.17432835309437325,0.36261222671509835
EOS-3-45242,N#Cc1ccc(-c2cncc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)c2)nc1,UNAMHUPKQBDMJJ-UHFFFAOYSA-N,3,1,0.404,13,724,461.819,4.844,5,0.377,0.64,1.0,0.8225275854979097,0.8392245219655953,0.9523079295456103,0.952727708861627,0.8916969364676856
EOS-3-45243,Cc1nn(C)cc1CCOc1cncc2nnc(-c3csc(-c4ncnn4C)c3)n12,FLLYKOIARXEETB-UHFFFAOYSA-N,3,1,0.455,92,986,421.49,2.312,5,0.415,0.61,1.0,0.17329175519155643,0.09488725926941265,0.01954972243163594,0.010811459118634775,0.07463504900280996
EOS-3-45244,Cn1ncnc1-c1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ncn2)cc1,PXYOMGPHBYNZSD-UHFFFAOYSA-N,3,1,0.396,3,971,483.442,4.114,6,0.36,0.78,1.0,0.4649441436501953,0.4817695839901309,0.6291035569871839,0.6199626482077993,0.5489449832088273
EOS-3-45245,CCn1cnnc1-c1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cs1,USPNDJJTSRDWHB-UHFFFAOYSA-N,3,1,0.446,65,908,454.466,3.426,5,0.372,0.54,1.0,0.462296963881845,0.315142896305942,0.285227194846138,0.3123672126653417,0.34375856692481666
EOS-3-45246,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)nn2C)s1,QILVZCJEXMJQSR-UHFFFAOYSA-N,3,1,0.394,95,956,443.414,4.166,5,0.388,0.61,1.0,0.3417346309368789,0.43367486806935784,0.6558152285655541,0.6313994928380509,0.5156560551024605
EOS-3-45248,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)c(C)c1,IOLBWLSTWHDDAH-UHFFFAOYSA-N,3,1,0.436,87,173,457.925,4.535,5,0.346,0.68,1.0,0.5926941265163457,0.6657528613528888,0.4544153930505106,0.43300664793365773,0.5364672572133508
EOS-3-45249,COc1ncc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cc1-c1cccnc1,UQANFGZAVARKHU-UHFFFAOYSA-N,3,1,0.489,87,657,477.887,4.066,5,0.346,0.7,1.0,0.7617366869988349,0.8094544582276746,0.6414570625728189,0.5895757658830786,0.7005559934206018
EOS-3-45250,Clc1ccnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cn5)n34)cnn2)n1,UGUGJSHXNCBQLA-UHFFFAOYSA-N,3,1,0.26,70,957,464.88,3.816,6,0.358,0.57,0.99,0.162600233020355,0.22829997943938043,0.35880851209649783,0.44875265574669315,0.2996153450757316
EOS-3-45251,Fc1ccccc1CCOc1cncc2nnc(-c3cc(-c4ccc5ccccc5n4)cnn3)n12,XDIMVECNKUBOMQ-UHFFFAOYSA-N,3,1,0.532,19,891,463.476,4.557,6,0.358,0.64,0.988,0.710540744294428,0.6609810842300048,0.634980467411418,0.689217668425742,0.6739299910903982
EOS-3-45252,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cn4)n23)cc1-c1cnncn1,UYMUXYBEBWICJS-UHFFFAOYSA-N,3,1,0.423,6,826,478.451,3.213,6,0.352,0.63,1.0,0.7348536769241313,0.5894900966349119,0.530429716948804,0.49796963881844974,0.5881857823315743
EOS-3-45253,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nn(C)cc4Cl)n23)nc1C,PSRMNWVXHRCADU-UHFFFAOYSA-N,3,1,0.379,31,690,463.933,3.387,5,0.364,0.58,0.971,0.30668734151189087,0.32037728736892607,0.08999554519909533,0.08864197107806182,0.20142553628949353
EOS-3-45254,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(C#N)c5F)n34)ncn2)on1,ZPCSYKZMEPPPGP-UHFFFAOYSA-N,3,1,0.398,46,488,446.377,3.274,5,0.399,0.53,0.775,0.677480981426907,0.5551024604208074,0.7329089849907477,0.6601757932972381,0.656417055033925
EOS-3-45255,Fc1cnc(F)c(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1,ISNGUXPPGMFFDT-UHFFFAOYSA-N,3,1,0.44,2,422,417.379,3.501,5,0.404,0.62,1.0,0.7788876704818039,0.6609896511548214,0.7454937975464327,0.7222859982180796,0.7269142793502844
EOS-3-45256,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)c6)nn5)n34)cc2)ccn1,VECCVRFVSVDFNW-UHFFFAOYSA-N,3,1,0.33,3,783,468.883,4.894,6,0.342,0.71,1.0,0.03138921252827085,0.25864402714001783,0.8099170721677746,0.8741861421424165,0.49353411349461995
EOS-3-45257,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)cn1,GWMGVQMCKPSNDQ-UHFFFAOYSA-N,3,1,0.506,58,698,450.865,3.396,5,0.366,0.56,0.997,0.6587879514769378,0.7234682338427798,0.5437684188883558,0.5247498457953533,0.6126936125008567
EOS-3-45258,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)n1C,MWUZGGYMBOYJKS-UHFFFAOYSA-N,3,1,0.471,31,466,413.445,2.307,5,0.417,0.64,1.0,0.3244808443561099,0.0917089301624289,0.1264906449181002,0.09065519840997875,0.15833390446165443
EOS-3-45259,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cnn2)cn1,NTIOFANTLAPLRE-UHFFFAOYSA-N,3,1,0.48,65,778,445.874,3.017,5,0.363,0.53,1.0,0.6436930299499691,0.7001661983414433,0.27796244260160374,0.287394626824755,0.47730407442944284
EOS-3-45260,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)nn(C)c5C(F)F)cn4)n23)cn1,AIKRYHSAJXMBFF-UHFFFAOYSA-N,3,1,0.345,82,974,476.447,3.681,5,0.353,0.65,0.999,0.16531594818723871,0.22830854636419712,0.36268932903844836,0.21958741690082928,0.24397531012267837
EOS-3-45261,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)ccc1-c1ccncc1,LOGGYWYUHFOXEJ-UHFFFAOYSA-N,3,1,0.522,41,667,476.475,4.423,6,0.348,0.7,1.0,0.6349633335617847,0.6752450140497567,0.727691727777397,0.6922160921115756,0.6825290418751284
EOS-3-45262,CCc1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1cnc(C)s1,BLTGLHFGJIBUII-UHFFFAOYSA-N,3,1,0.422,18,690,461.526,4.336,5,0.356,0.66,0.998,0.49208416146939893,0.5412840106915222,0.245048317455966,0.21685456788431226,0.37381776437529984
EOS-3-45263,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)c(-c2cc(F)ccn2)n1,QWXRBSKRBKRJOX-UHFFFAOYSA-N,3,1,0.302,70,968,466.484,3.671,6,0.382,0.56,1.0,0.15715166883695428,0.23314029196079775,0.2309471592077308,0.2401052018367487,0.21533608046055785
EOS-3-45264,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4c(F)cccc4Cl)n23)cc1,GRCOHJPOPCYBEU-UHFFFAOYSA-N,3,1,0.361,61,917,406.812,3.441,5,0.456,0.86,1.0,0.2640583236241519,0.47308272222602976,0.5202350764169693,0.6836663011445412,0.485260605852923
EOS-3-45265,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncon6)cn5)n34)nc2)nc1,SHMBYXTUQAQQLF-UHFFFAOYSA-N,3,1,0.381,80,34,468.412,2.806,6,0.356,0.56,1.0,0.5171766842574189,0.4381039681995751,0.2131964909875951,0.21686313480912892,0.3463350695634295
EOS-3-45266,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)s5)n34)cn2)n1C,SGCDVIAAGXLTBX-UHFFFAOYSA-N,3,1,0.456,7,823,439.451,3.814,5,0.414,0.52,1.0,0.6349719004866013,0.5986481392639298,0.49921184291686654,0.4170721677746556,0.5374760126105134
EOS-3-45268,O=C(c1ccc(-c2nnc3cncc(COCc4nc(C(F)(F)F)no4)n23)cc1)N1CCOCC1,NNSBSHGQWDYWQR-UHFFFAOYSA-N,3,1,0.5,78,751,489.414,2.382,5,0.402,0.76,1.0,0.20986395723391132,0.11101877869919814,0.032074566513604276,0.04669830717565623,0.09991390240559249
EOS-3-45269,Fc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1nnco1,ILYNVBMLAKXFJL-UHFFFAOYSA-N,3,1,0.435,54,265,456.8,3.184,5,0.355,0.57,0.956,0.7958244808443561,0.6560551024604208,0.5437769858131725,0.5927283942156124,0.6470962408333905
EOS-3-45270,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)ccn1,YFCNBOJGMOIMIG-UHFFFAOYSA-N,3,1,0.603,11,201,412.428,4.009,5,0.392,0.76,1.0,0.9417106435473922,0.8460780618189295,0.6857394969501748,0.6747052977863066,0.7870583750257008
EOS-3-45271,Cc1nc(-c2cncn2C)cc(-c2cncc3nnc(-c4ccc(F)cc4-c4cncn4C)n23)n1,DRGBYFRNUJXVJM-UHFFFAOYSA-N,3,1,0.321,50,155,466.484,3.497,6,0.392,0.51,1.0,0.1733003221163731,0.2586525940648345,0.370048317455966,0.3341957370982112,0.2840492426838462
EOS-3-45272,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)cc1F,INXSLBBFLPPBTB-UHFFFAOYSA-N,3,1,0.535,24,912,451.824,4.154,5,0.371,0.58,1.0,0.7012456308683435,0.7507453224590501,0.8228959632650263,0.8365773421972449,0.7778660646974163
EOS-3-45273,Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ocnc5C)nc4)n23)cn1,RNBNLBINFRBHMN-UHFFFAOYSA-N,3,1,0.57,87,205,413.441,3.475,5,0.417,0.69,1.0,0.49447433349324926,0.3442104722088959,0.2345109999314646,0.1430419436639024,0.304059437324378
EOS-3-45274,CCn1nccc1-c1nccnc1COc1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,VMGUTSOTXDZIQF-UHFFFAOYSA-N,3,1,0.418,71,614,479.508,2.839,6,0.34,0.65,1.0,0.2586354602152012,0.15283393872935372,0.046424165581522854,0.0377630045918717,0.12391414227948737
EOS-3-45275,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4cncs4)cnn3)n12,ZCXQZSOWVKRLHH-UHFFFAOYSA-N,3,1,0.451,65,466,454.878,3.514,5,0.384,0.54,1.0,0.6068895209375642,0.5739753957919266,0.47853985333424714,0.5449934891371393,0.5510995648002193
EOS-3-45276,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)cc(Cl)n2)n1,KCJIFEYZDVMUCF-UHFFFAOYSA-N,3,1,0.462,55,45,472.271,3.402,5,0.358,0.59,0.926,0.5483174559660065,0.5942019052840792,0.5063652251387842,0.5676273045027757,0.5541279727229114
EOS-3-45277,Cc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(-c2ncccn2)n1,BROMUXROVNFLEE-UHFFFAOYSA-N,3,1,0.57,75,393,410.441,2.968,5,0.421,0.74,1.0,0.6742169830717566,0.3682321293948324,0.1990353642656432,0.15567815776848742,0.3492906586251799
EOS-3-45278,Fc1cc(COc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)nc(F)n1,XEUFHJJIZFPLHJ-UHFFFAOYSA-N,3,1,0.494,4,540,418.367,2.896,5,0.317,0.71,1.0,0.589798505928312,0.6130748406551985,0.547400795010623,0.5013707079706669,0.5629112123912001
EOS-3-45279,COCc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc(-c2ncc(Cl)cn2)n1,TYSUOYBFRCEJRE-UHFFFAOYSA-N,3,1,0.534,59,665,477.887,4.161,5,0.344,0.68,1.0,0.7258926735658968,0.70017476526626,0.6114642587896648,0.6168357206497156,0.6635918545678843
EOS-3-45280,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(Cl)cn2)nc1,DOFZJMVGZSRUCV-UHFFFAOYSA-N,3,1,0.62,59,232,474.311,5.006,5,0.353,0.76,1.0,0.9640274826948119,0.9733825645946131,0.9066547871975875,0.9288174216983072,0.94322056404633
EOS-3-45281,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(Cc5cc(F)cc(Cl)c5)n34)cc2F)s1,MTCXNJJRQMJEEQ-UHFFFAOYSA-N,3,1,0.354,45,358,455.881,4.245,5,0.423,0.56,1.0,0.29375985196353915,0.4200877253101227,0.807689671715441,0.8600592831197313,0.5953991330272086
EOS-3-45282,CCCCCOc1ccc(-c2nnc3cncc(-c4nc(C(F)F)nn4C)n23)cc1Cl,LDIWFSURQFOCCH-UHFFFAOYSA-N,3,1,0.354,78,792,447.877,4.747,4,0.362,0.71,0.99,0.23161537934343088,0.3682406963196491,0.17914296484134054,0.24319786169556576,0.25554922554999654
EOS-3-45283,Fc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ncc(F)c(F)n5)n34)c2)nc1,XOLIEUYEACPJTN-UHFFFAOYSA-N,3,1,0.381,51,65,452.36,1.867,5,0.352,0.53,1.0,0.6712785278596395,0.6461431704475361,0.18234699472277432,0.22860838873278047,0.4320942704406826
EOS-3-45284,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc(-c2ccc(F)cn2)n1,TVIRKQKWVNAXGP-UHFFFAOYSA-N,3,1,0.528,11,141,461.888,4.366,5,0.371,0.58,1.0,0.7958330477691727,0.8289185114111438,0.5961294633678295,0.6139915016105819,0.708718131039682
EOS-3-45285,Cc1csc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)n1,MYWQNWOHAZIZDQ-UHFFFAOYSA-N,3,1,0.538,87,393,449.927,4.288,5,0.357,0.65,1.0,0.6556524569940374,0.7891765471866219,0.32545747378521006,0.3342043040230279,0.5261226954972243
EOS-3-45286,Oc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccccn1,ZUJYFGMWMNIFFD-UHFFFAOYSA-N,3,1,0.523,11,201,444.882,4.229,5,0.391,0.57,1.0,0.9101672263724213,0.8729525049688164,0.6830323487081077,0.6718011102734562,0.7844882975807004
EOS-3-45287,CCn1ccnc1-c1cncc(-c2nnc3cncc(OCc4cccc(F)n4)n23)c1,UJATXLUMWOGHSR-UHFFFAOYSA-N,3,1,0.462,2,131,416.42,3.183,5,0.392,0.64,1.0,0.3854516482763347,0.33411006785004455,0.31438043999725857,0.26709958193406896,0.32526043451442666
EOS-3-45288,FC(F)(F)c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(-c2ccns2)n1,WPMYBDVKBVYQDO-UHFFFAOYSA-N,3,1,0.59,35,393,469.452,4.345,5,0.365,0.65,1.0,0.7166489616887122,0.7421869645671989,0.8692687272976493,0.7383746830237817,0.7666198341443355
EOS-3-45289,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)n5C)c4)n23)n1,QMTSYWPBHJWEHF-UHFFFAOYSA-N,3,1,0.523,7,43,416.42,3.008,5,0.435,0.63,1.0,0.4072202042354876,0.3632033445274484,0.27008087177026935,0.2080306353231444,0.3121337639640875
EOS-3-45290,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cn5)n34)s2)nc1,PZEIWYFFNYAACC-UHFFFAOYSA-N,3,1,0.326,76,368,439.529,5.1,6,0.38,0.69,1.0,0.05300356384072374,0.12009971900486602,0.347611541361113,0.3890497566993352,0.2274411452265095
EOS-3-45291,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nncn6C)cc5)n34)n2)n1C,MMEHHWWFVPWFQF-UHFFFAOYSA-N,3,1,0.484,67,789,479.508,2.665,6,0.354,0.62,1.0,0.2826399835515043,0.1603985333424714,0.04170379000753889,0.03144918100198753,0.12904787197587553
EOS-3-45292,c1ccc(-c2ncncc2-c2nnc3cncc(-c4cccc(-c5cccs5)c4)n23)nc1,HNWDALNXYBKYAV-UHFFFAOYSA-N,3,1,0.269,32,515,433.5,5.039,6,0.387,0.69,1.0,0.08596052361044479,0.13055136728120073,0.46470426975532864,0.5381313823589884,0.30483688575149065
EOS-3-45293,Cc1nc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)ccc1-c1cnnn1C,XPQWOXAEOFMJEI-UHFFFAOYSA-N,3,1,0.392,6,843,477.492,2.721,6,0.352,0.61,0.993,0.1543245836474539,0.12010828592968269,0.07143958604619285,0.04949112466588993,0.09884089507230485
EOS-3-45294,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,SXZLLBJKFQGJKM-UHFFFAOYSA-N,3,1,0.527,26,626,463.904,4.484,5,0.331,0.67,1.0,0.5927026934411623,0.5986567061887464,0.7145072304845452,0.7005859776574601,0.6516131519429785
EOS-3-45295,N#Cc1cccc(-c2csc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c2)c1,SZEMGZUIWGKWAT-UHFFFAOYSA-N,3,1,0.472,4,434,445.895,4.414,5,0.369,0.63,1.0,0.6651446096909054,0.8211397436776094,0.7503512439174834,0.7642810636693852,0.7502291652388459
EOS-3-45296,Fc1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)ccc1Cl,YTPUYDJPEMGAIX-UHFFFAOYSA-N,3,1,0.438,68,455,408.746,3.983,4,0.479,0.76,1.0,0.537908642313755,0.7593550818998013,0.9851363854430814,0.9766979644986635,0.8147745185388253
EOS-3-45297,Cc1ncc(-c2cnnc(-c3nnc4cncc(Cc5ccc(F)cn5)n34)c2)c(C2CC2)n1,VIBFDZMNHFDBDU-UHFFFAOYSA-N,3,1,0.264,85,60,439.458,3.349,6,0.41,0.53,0.688,0.28813138235898844,0.24372044410938248,0.085052429579878,0.1743369200191899,0.1978102940168597
EOS-3-45298,Cc1cccc(OCc2cncc3nnc(-c4ccnc(-c5cnc(C)nc5)c4)n23)n1,DFJCVWZBDWMECO-UHFFFAOYSA-N,3,1,0.337,85,567,410.441,3.234,5,0.435,0.72,1.0,0.30935165512987456,0.17696696593790692,0.2593893495990679,0.15054656980330341,0.22406363511753818
EOS-3-45299,COc1ccccc1-c1ccc(-c2nnc3cncc(OCc4sncc4C)n23)cc1OC,AQJUBJYUQUWGMP-UHFFFAOYSA-N,3,1,0.519,1,955,459.531,4.819,5,0.345,0.73,1.0,0.39011205537660204,0.21792543348639573,0.49922040984168325,0.3244808443561099,0.3579346857651977
EOS-3-45301,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)c1,WDAUUHHWVZWARD-UHFFFAOYSA-N,3,1,0.443,65,658,415.392,2.194,5,0.411,0.59,0.999,0.6010297443629635,0.5646203138921253,0.21650332396682886,0.24585360838873277,0.4070017476526626
EOS-3-45302,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccc(C(F)(F)F)n5)nc4C)n23)cc1,BHEFQCJRGQBXHF-UHFFFAOYSA-N,3,1,0.494,27,51,477.45,4.858,5,0.357,0.75,1.0,0.9514255362894936,0.8645654855732986,0.8772359673771503,0.7089815639777945,0.8505521383044343
EOS-3-45303,CC#Cc1csc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)n1,RZQCDOHWIMBCBW-UHFFFAOYSA-N,3,1,0.388,53,128,460.91,3.704,5,0.366,0.58,0.999,0.4138595709684052,0.6082944966074978,0.2817233225961209,0.2935371119183058,0.39935362552258247
EOS-3-45304,Fc1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nc4F)n23)ccc1-c1cccnn1,STZGWIIMYLODBR-UHFFFAOYSA-N,3,1,0.327,85,476,470.365,3.926,5,0.29,0.75,1.0,0.5171852511822356,0.6130834075800151,0.9189397573846891,0.8617469673086149,0.7277388458638887
EOS-3-45305,Fc1ccnc(F)c1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,OVJXGOSPIBHQSW-UHFFFAOYSA-N,3,1,0.649,57,798,449.848,5.364,5,0.338,0.79,1.0,0.982155095606881,0.987672195188815,0.9652953875676787,0.9709666917963128,0.9765223425399219
EOS-3-45306,Cc1ccncc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cn4)n23)cc1,ISRLDBKJMMWXKU-UHFFFAOYSA-N,3,1,0.378,41,318,460.501,4.75,6,0.366,0.67,1.0,0.48713247892536493,0.3203858542937427,0.5507504626139401,0.4423531629086423,0.4501554896854225
EOS-3-45307,Cc1noc(-c2ccc(-c3cncc4nnc(-c5c(-c6ccc(Cl)cn6)ncn5C)n34)cn2)n1,NRZYZHDUXYVBCX-UHFFFAOYSA-N,3,1,0.273,86,652,470.884,3.661,6,0.379,0.59,0.985,0.2043040230278939,0.27415016105818657,0.10700089096018094,0.16112672195188815,0.18664544924953738
EOS-3-45308,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)n1,RCAYZNLDYFBCKH-UHFFFAOYSA-N,3,1,0.447,18,503,461.888,4.366,5,0.371,0.6,1.0,0.695428688917826,0.6852511822356246,0.46126893290384485,0.5643204715235419,0.6015673188952093
EOS-3-45309,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cccc(-c4cscn4)c3)n12,KJBGUQSGRLVWIK-UHFFFAOYSA-N,3,1,0.536,57,709,437.887,5.286,5,0.374,0.74,1.0,0.8601877869919814,0.8323881159618943,0.9066633541224042,0.9151360427660887,0.8785938249605922
EOS-3-45310,Cc1[nH]nc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4F)n23)c1F,UPMBSQVHIJMINE-UHFFFAOYSA-N,3,1,0.446,36,610,423.387,2.476,5,0.462,0.53,1.0,0.46006956342951133,0.5092865465012679,0.31058529230347476,0.2935456788431225,0.3933717702693441
EOS-3-45311,CCn1cnnc1-c1cc(-c2nnc3cncc(OCc4ncn(C)n4)n23)c(C)s1,CPOYPMVUXXLHKU-UHFFFAOYSA-N,3,1,0.371,36,105,422.478,2.147,5,0.409,0.58,1.0,0.09098074155301213,0.09489582619422932,0.004908847919950655,0.001978959632650264,0.04819109382496059
EOS-3-45312,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6nncs6)cn5)n34)nc2)ccn1,UOYFXRYHHYYZJJ-UHFFFAOYSA-N,3,1,0.413,6,843,466.49,3.136,6,0.361,0.58,1.0,0.30936022205469127,0.32496915907066,0.13861284353368514,0.14077170858748544,0.22842848331163043
EOS-3-45313,COc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3nc(C(F)F)cs3)n12,KBNUYRLEXISDMB-UHFFFAOYSA-N,3,1,0.506,27,710,467.461,4.23,5,0.351,0.69,0.996,0.47476183949009665,0.5739839627167432,0.4506545130559934,0.3184325954355425,0.45445822767459393
EOS-3-45314,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)c2)c(F)c1,BDZRPEQHUPXATP-UHFFFAOYSA-N,3,1,0.457,18,503,465.851,4.196,5,0.371,0.58,0.999,0.7585155232677678,0.797323692687273,0.7455023644712494,0.8101226783633747,0.7778660646974161
EOS-3-45315,N=c1nc(-c2nccs2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)[nH]1,PJKXAZULSJSKKZ-UHFFFAOYSA-N,3,1,0.361,55,564,455.866,2.884,5,0.416,0.58,1.0,0.4437581385785758,0.3203944212185594,0.37005688438078266,0.3890583236241519,0.3808169419505174
EOS-3-45316,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)c1,FAKBTERVFBOVAD-UHFFFAOYSA-N,3,1,0.447,18,698,465.851,4.196,5,0.347,0.62,1.0,0.8324566513604277,0.817310328284559,0.8157083133438421,0.8265112055376602,0.8229966246316222
EOS-3-45317,Cc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)c1,OTWMDDNKOOLAPZ-UHFFFAOYSA-N,3,1,0.443,18,873,446.421,3.246,5,0.366,0.55,0.904,0.6235864574052498,0.5367264066890549,0.5027928174902337,0.47374237543691317,0.5342120142553629
EOS-3-45318,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccc2F)s1,AMDBSZWBNFNDID-UHFFFAOYSA-N,3,1,0.573,35,426,437.525,5.045,5,0.372,0.72,1.0,0.8755568501130834,0.8587057089986978,0.592916866561579,0.5580409156329244,0.7213050853265711
EOS-3-45319,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cn5)n34)n2)o1,QIAQNECRJLAQTK-UHFFFAOYSA-N,3,1,0.342,76,541,466.892,4.927,6,0.36,0.68,0.999,0.17064457542320607,0.34421903913371255,0.38898122130080187,0.4979782057432664,0.35045576040024673
EOS-3-45320,Fc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1cnccn1,YCBFPFWQMCPVAC-UHFFFAOYSA-N,3,1,0.435,18,324,466.839,3.591,5,0.35,0.57,1.0,0.8514238229045302,0.842685559591529,0.6751165101775067,0.7060002741415942,0.7688065417037901
EOS-3-45321,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)cc(C)n2)cn1,LVVZCKVTXYTHGU-UHFFFAOYSA-N,3,1,0.588,7,99,415.482,3.901,5,0.43,0.68,1.0,0.38778185182646835,0.3682492632444658,0.23801487218148173,0.1689140566102392,0.29074001096566376
EOS-3-45322,Cc1cccc(-c2nc(C)ncc2-c2nnc3cncc(-c4cn(-c5cncnc5F)nn4)n23)n1,WAQDNIVGBHTMTJ-UHFFFAOYSA-N,3,1,0.252,86,312,466.444,2.437,6,0.356,0.54,0.261,0.008138578575834419,0.09794565142896305,0.08506099650469467,0.08865053800287849,0.06994894112809266
EOS-3-45323,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5sc(F)cc5F)cc4F)n23)cn1,OXQUTBWJBGUCIC-UHFFFAOYSA-N,3,1,0.483,55,109,454.437,4.615,5,0.386,0.62,1.0,0.860196353916798,0.8426941265163457,0.8337930916318278,0.795002056061956,0.8329214070317319
EOS-3-45324,c1ccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)cc1,WUZPHRNVQDQSCK-UHFFFAOYSA-N,3,1,0.333,98,77,419.412,2.49,6,0.457,0.52,0.997,0.11601329586731547,0.13401240490713454,0.10970803920224796,0.14305051058871907,0.12569606264135427
EOS-3-45325,COCc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C)n5)n34)cn2)s1,RILYCNQMOIDTQN-UHFFFAOYSA-N,3,1,0.467,4,464,463.498,3.878,5,0.359,0.64,1.0,0.5430830649030224,0.6130919745048318,0.2962014255362895,0.21959598382564594,0.4179931121924474
EOS-3-45326,Cc1ccc(-c2nnc3cncc(OCc4cc5ncc(F)c-5cnc(C)nn4)n23)cn1,PBPWXEVYEGKNDD-UHFFFAOYSA-N,3,1,0.46,78,792,429.419,3.791,5,0.626,0.57,0.0,0.5021245973545336,0.5367349736138716,0.03730039065177164,0.0044548009046672605,0.27015369063121103
EOS-3-45327,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c(Cl)n2)nc1,MEBLZCXECKUJPV-UHFFFAOYSA-N,3,1,0.529,58,262,466.839,3.591,5,0.35,0.59,1.0,0.913217051607155,0.9379326297032418,0.5541429648413405,0.6015009252278802,0.7516983928449045
EOS-3-45328,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)c(C)n1,WKHVAGFKHWAYKJ-UHFFFAOYSA-N,3,1,0.529,89,506,411.469,3.783,5,0.438,0.75,1.0,0.3785895414981838,0.16040710026728805,0.44710780618189294,0.29967103008703994,0.3214438695086012
EOS-3-45329,c1ccc(-c2nccnc2-c2nnc3cncc(OCc4cc(-c5cncnn5)ncn4)n23)nc1,ILEOHFUBKGINAI-UHFFFAOYSA-N,3,1,0.386,86,114,462.437,1.864,6,0.354,0.54,0.992,0.26406689054896854,0.14503803714618602,0.051641422794873555,0.05199266671235693,0.12818475430059625
EOS-3-45330,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nncn6C)ccn5)n34)cc2)n1C,NSGJFPSHXPTVRG-UHFFFAOYSA-N,3,1,0.489,56,415,478.52,3.27,6,0.358,0.63,1.0,0.39212528270851893,0.1895860461928586,0.20251353574121034,0.13395243643341787,0.22954432526900143
EOS-3-45331,Cc1cccc(-c2cc(-c3nnc4cncc(OCCCOc5ccsc5)n34)ncn2)c1,VDFFGBLUHIUEPL-UHFFFAOYSA-N,3,1,0.406,44,238,444.52,4.466,5,0.326,0.71,1.0,0.5197381947776026,0.2844904393119046,0.3105938592282914,0.2847217462819546,0.3498860598999384
EOS-3-45332,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(Cl)s5)s4)n23)c(F)c1,NQELVWHIEWJDRS-UHFFFAOYSA-N,3,1,0.462,4,268,458.931,5.051,5,0.366,0.76,1.0,0.7470444109382496,0.8460866287437462,0.439937290110342,0.504951682544034,0.6345050030840929
EOS-3-45333,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1Cl,GOAZTEOIUFBYLO-UHFFFAOYSA-N,3,1,0.536,4,554,457.346,5.139,5,0.366,0.72,1.0,0.6496470426975532,0.6706188746487561,0.7997995339592899,0.8306147625248441,0.7376700534576108
EOS-3-45334,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C)n5C)ncn4)n23)nc1,XLFCZJMXZCQZPC-UHFFFAOYSA-N,3,1,0.404,33,168,413.445,2.573,5,0.432,0.62,1.0,0.3066959084367076,0.13055993420601741,0.09934206017407991,0.0520012336371736,0.1471497841134946
EOS-3-45335,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cc4S(C)(=O)=O)n23)cc1,WICIRLNXYIKXLL-UHFFFAOYSA-N,3,1,0.326,61,269,489.521,1.412,5,0.386,0.79,1.0,0.18207285312864094,0.07855870056884381,0.07574874922897677,0.03910801178808855,0.09387207867863752
EOS-3-45336,COc1ncnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)s2)n1,SOBHVPMKIJSTET-UHFFFAOYSA-N,3,1,0.302,94,515,465.502,3.837,6,0.374,0.59,0.844,0.26924988006305256,0.1376704818038517,0.11234665204578165,0.11154136111301487,0.1577020937564252
EOS-3-45337,Cc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1cnnn1C,UHMZSNNUZFISFY-UHFFFAOYSA-N,3,1,0.414,31,779,448.878,2.355,5,0.36,0.54,0.991,0.362389486669865,0.3917055033925022,0.06726749366047563,0.06691624974299226,0.22206968336645877
EOS-3-45338,FC(F)c1ccc(-c2nnc3cncc(COc4cccc(-c5ccon5)n4)n23)cn1,DNZRIEVGMWCEJE-UHFFFAOYSA-N,3,1,0.371,24,786,421.367,3.753,5,0.408,0.6,1.0,0.42792646151737374,0.4510314577479268,0.6444383524090193,0.52475841272017,0.5120386710986224
EOS-3-45339,Cc1ccc(-c2nnc3cncc(Cc4cncc(-c5nccc(C)c5F)c4)n23)nc1,CBCIDACKDUIPEM-UHFFFAOYSA-N,3,1,0.351,85,647,411.444,3.99,5,0.445,0.72,1.0,0.30422863408950723,0.28449900623672125,0.5604225207319581,0.5114882461791516,0.41515960180933453
EOS-3-45340,Cc1nc(-c2cc(F)cc(F)c2)cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)n1,OQLMIHFOHOBVEM-UHFFFAOYSA-N,3,1,0.484,44,531,479.878,4.505,5,0.354,0.71,1.0,0.8016414227948736,0.7507538893838668,0.7354704955109314,0.7789562058803372,0.7667055033925022
EOS-3-45341,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)no4)n23)cc1,BJUFNIAVGOMUMR-UHFFFAOYSA-N,3,1,0.523,97,230,413.372,3.431,5,0.403,0.76,1.0,0.9326982386402577,0.8645740524981153,0.7277002947022136,0.6950774450003426,0.8050125077102324
EOS-3-45342,OC12CCCCc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)cc1ncn2,ZLZYAABOEUOBAS-UHFFFAOYSA-N,3,1,0.551,78,792,424.411,3.12,5,0.694,0.53,0.002,0.5669590843670756,0.555111027345624,0.10971660612706463,0.254925981769584,0.37167817490233707
EOS-3-45343,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)c2)ns1,LCSXYWPAKBWNHY-UHFFFAOYSA-N,3,1,0.588,37,626,467.917,4.427,5,0.341,0.71,1.0,0.7845761085600713,0.8645826194229319,0.48212939483243095,0.5214515797409361,0.6631849256390925
EOS-3-45344,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(C6CC6)c5)n34)c(F)n2)n1C,ZDUBHFVLUYXKSQ-UHFFFAOYSA-N,3,1,0.293,50,974,415.436,3.233,6,0.419,0.64,0.998,0.09321670893016243,0.20806490302241107,0.06324960592145844,0.11631313823589884,0.1202110890274827
EOS-3-45345,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4cccc(-c5cncnc5)n4)n23)s1,IYPBMOGVOMBAIY-UHFFFAOYSA-N,3,1,0.262,76,368,449.503,4.137,6,0.395,0.55,0.999,0.023242067027619766,0.07162805839215955,0.10177506682201357,0.13602563223905148,0.0831677061202111
EOS-3-45346,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)cnc4Cl)n23)c1F,ZLRMQXGPVXXNDB-UHFFFAOYSA-N,3,1,0.479,65,324,462.876,3.761,5,0.351,0.6,1.0,0.7229113837296964,0.7933743403467891,0.5474093619354397,0.5317404564457542,0.6488588856144198
EOS-3-45347,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)nc1,ZFZRDDOFQUJAMR-UHFFFAOYSA-N,3,1,0.444,41,492,463.476,5.185,6,0.35,0.76,1.0,0.7470529778630662,0.6657614282777055,0.7569049414022343,0.7303303406209307,0.7250124220409842
EOS-3-45349,Fc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c1,WEOIULCCNIDJFX-UHFFFAOYSA-N,3,1,0.558,35,919,464.863,4.801,5,0.336,0.68,1.0,0.9278579261188403,0.9421561236378589,0.9114950997190049,0.9215612363785896,0.9257675964635734
EOS-3-45350,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5cnccn5)nn4)n23)cn1,MBPUNEMABUBCKY-UHFFFAOYSA-N,3,1,0.494,92,185,419.796,1.456,5,0.382,0.55,1.0,0.5197467617024193,0.7681276129120691,0.029838599136453977,0.06692481666780892,0.3461594476046878
EOS-3-45351,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ncccc6Cl)[nH]5)n34)cn2)ccn1,ATYZVROAZMJJKI-UHFFFAOYSA-N,3,1,0.301,10,407,470.859,3.888,6,0.385,0.6,0.73,0.25864402714001783,0.40609793708450415,0.43994585703515865,0.5740696319649099,0.41968936330614764
EOS-3-45352,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5nccn5C)c4)n23)c(C)n1,YILNYVSFWJJVKF-UHFFFAOYSA-N,3,1,0.494,7,43,412.457,3.178,5,0.437,0.69,1.0,0.35314577479268044,0.14140566102391885,0.202522102666027,0.10914262216434789,0.20155404016174355
EOS-3-45353,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)nc2F)n1,IEJDLNJISLJMKD-UHFFFAOYSA-N,3,1,0.427,31,773,469.843,2.93,5,0.349,0.6,0.346,0.6378846549242684,0.5942104722088959,0.41769755328627234,0.46132033445274484,0.5277782537180453
EOS-3-45354,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccc(F)n5)n4)n23)nn1,ZRNREERVLMVNBM-UHFFFAOYSA-N,3,1,0.375,53,587,416.38,1.855,5,0.391,0.59,0.999,0.4697159207730793,0.4468593653622096,0.06325817284627511,0.07435234048385991,0.263546449866356
EOS-3-45355,COc1sccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)c(F)c1,JOOIBBXVGABCQV-UHFFFAOYSA-N,3,1,0.353,82,204,461.522,4.957,5,0.398,0.68,0.89,0.4485299157014598,0.4817781509149476,0.857694811870331,0.6601843602220547,0.6120468096771983
EOS-3-45356,c1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncs6)cn5)n34)cc2)cs1,XHJAGDLIPHHWOB-UHFFFAOYSA-N,3,1,0.447,40,518,470.543,4.407,6,0.353,0.69,1.0,0.5456874100472894,0.5320488657391542,0.292449112466589,0.2671081488588856,0.40932338427797954
EOS-3-45357,COc1cc(-c2cnn(C)n2)ccc1-c1cncc2nnc(-c3cnc(C)nc3-c3cccnc3)n12,FNQKSSCAEKHHJN-UHFFFAOYSA-N,3,1,0.298,42,339,476.504,3.423,6,0.368,0.61,0.786,0.1958998697827428,0.03507299019943801,0.22722911383729696,0.15568672469330408,0.15347217462819546
EOS-3-45358,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3cncs3)n12,UDZDYQKFILCBHY-UHFFFAOYSA-N,3,1,0.667,91,660,417.469,4.675,5,0.402,0.74,1.0,0.8324652182852443,0.9011548214652868,0.6640566102391885,0.711782948392845,0.7773648995956411
EOS-3-45359,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)c1,LRZXBXWLIARFRS-UHFFFAOYSA-N,3,1,0.484,65,658,411.429,2.363,5,0.415,0.69,0.988,0.5096292234939346,0.3341186347748612,0.12131622232883284,0.10060139812213008,0.2664163696799397
EOS-3-45360,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)nc5)cn4)n23)cn1,LPHRSKMUOYXYHK-UHFFFAOYSA-N,3,1,0.4,80,855,480.467,3.157,6,0.331,0.7,1.0,0.615327941881982,0.564628880816942,0.31060242615310807,0.2609827976149681,0.43788551161675004
EOS-3-45361,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)c2)cn1,NFLWSHOJQGBCBO-UHFFFAOYSA-N,3,1,0.478,16,89,465.851,4.462,5,0.354,0.63,1.0,0.7958416146939894,0.7891851141114385,0.8650023987389487,0.8479542183537797,0.8244958364745391
EOS-3-45362,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(F)c2)cs1,WXPYPQPSLMVMJB-UHFFFAOYSA-N,3,1,0.54,35,684,466.929,5.032,5,0.349,0.75,1.0,0.9071174011376876,0.8989616887122198,0.6967479953395929,0.7089901309026112,0.8029543040230278
EOS-3-45363,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(C)n5)ccn4)n23)nc1,WXNLHZROQAUNHS-UHFFFAOYSA-N,3,1,0.44,46,348,409.453,3.839,5,0.435,0.77,1.0,0.35087553971626345,0.24372901103419917,0.37006545130559937,0.27576930984853676,0.31010982797614967
EOS-3-45364,Fc1cc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)ccn1,QCCIKCSLOHBPPA-UHFFFAOYSA-N,3,1,0.471,18,87,414.404,2.799,5,0.391,0.65,1.0,0.6265506133918168,0.5276026317593037,0.4749760126105133,0.46763415804262903,0.5241908539510657
EOS-3-45365,COc1cncc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ccn2)n1,BVXPTMXRDDKOED-UHFFFAOYSA-N,3,1,0.588,7,99,417.454,3.292,5,0.415,0.62,1.0,0.4996830237817833,0.38707079706668496,0.24163011445411556,0.1611352888767048,0.32237980604482214
EOS-3-45366,Cc1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C)nc5)n34)nc2)cn1,WJDCWLUYUVPGSI-UHFFFAOYSA-N,3,1,0.569,4,205,409.453,3.839,5,0.435,0.79,1.0,0.464952710575012,0.4155815228565554,0.5063737920636009,0.3665358782811322,0.4383609759440751
EOS-3-45367,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cocn5)cc(F)c4F)n23)cc1,YKZQYBQOXDFQHM-UHFFFAOYSA-N,3,1,0.549,1,951,419.391,4.612,5,0.414,0.66,1.0,0.9615773421972449,0.8250890960180933,0.9219381810705229,0.8881159618943184,0.8991801452950449
EOS-3-45368,Fc1ccccc1-c1ncsc1-c1nnc2cncc(-c3ccc(-c4nnco4)s3)n12,CEQZDLVYPMDPRZ-UHFFFAOYSA-N,3,1,0.364,76,653,447.48,4.832,6,0.382,0.62,0.999,0.1789459255705572,0.26904427386745255,0.270089438695086,0.3920824480844356,0.27754052155438286
EOS-3-45369,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc(-c2ccc(F)cn2)n1,DNHLHMYMCKBQLC-UHFFFAOYSA-N,3,1,0.671,11,159,460.9,4.971,5,0.356,0.66,1.0,0.9490781988897266,0.9288859570968405,0.7868634774861216,0.7993711877184566,0.8660497052977864
EOS-3-45370,COc1cc(-c2nnc3cncc(OCc4ccc(F)s4)n23)ccc1-c1ccc(F)cn1,RRVJGYFDRKZVSD-UHFFFAOYSA-N,3,1,0.489,4,61,451.458,4.781,5,0.37,0.66,1.0,0.9240370776506065,0.8673583030635323,0.8387190734014118,0.7642896305942019,0.8486010211774382
EOS-3-45371,Fc1cnc(-c2cncc3nnc(-c4ccc(-c5cccnc5F)nc4)n23)nc1C1CCCC1,DAUVLZWTXSEGHM-UHFFFAOYSA-N,3,1,0.33,82,974,456.46,4.641,6,0.364,0.67,0.334,0.3508841066410801,0.42009629223493933,0.07801898430539374,0.2757778767733534,0.28119431498869163
EOS-3-45372,Fc1cc(F)c(Cl)c(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)c1,MDARYKRNJKASAH-UHFFFAOYSA-N,3,1,0.506,34,607,468.826,4.898,5,0.341,0.74,1.0,0.9101757932972381,0.9545267630731272,0.9676769926667124,0.972251730518813,0.9511578198889726
EOS-3-45373,N#Cc1ccc(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)cn1,GMGALGGXWZZZDY-UHFFFAOYSA-N,3,1,0.585,97,666,411.45,3.76,5,0.434,0.77,1.0,0.5898070728531286,0.4730912891508464,0.5673788636830923,0.49488554588444933,0.5312906928928791
EOS-3-45374,Cc1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)cc(-c2nccn2C)n1,GXXRJMYLRPDWKG-UHFFFAOYSA-N,3,1,0.441,55,772,434.41,3.147,5,0.392,0.52,1.0,0.5780789527791104,0.43811253512439174,0.5270800493454869,0.44561716126379275,0.49722217462819546
EOS-3-45375,CCc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1nccs1,LMJZNHOCBSPGOG-UHFFFAOYSA-N,3,1,0.448,49,954,447.499,4.028,5,0.348,0.62,0.871,0.6010383112877802,0.6222757179082996,0.13862141045850182,0.1407802755123021,0.37567892879172093
EOS-3-45376,Fc1cc(-c2cccnc2F)cc(-c2nnc3cncc(OCc4ccns4)n23)c1,PPXDHPNQWACUIE-UHFFFAOYSA-N,3,1,0.524,97,439,422.42,4.167,5,0.396,0.64,1.0,0.6863563155369748,0.6657699952025221,0.7710917688986362,0.7789647728051539,0.7255457131108217
EOS-3-45377,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cs1,KTKNRJVXXNUNPK-UHFFFAOYSA-N,3,1,0.488,13,145,421.432,5.294,5,0.394,0.84,1.0,0.7229199506545131,0.6752535809745733,0.8577033787951477,0.8406808991844288,0.7741394524021656
EOS-3-45378,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnsc5)c4)n23)cn1,XAPUZGAMGUFRJI-UHFFFAOYSA-N,3,1,0.461,80,200,467.518,3.684,6,0.365,0.61,1.0,0.39653724898910286,0.24373757795901582,0.30342334315674047,0.24881776437529984,0.29812898362003976
EOS-3-45379,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nc4Cl)n23)cc1,BANZMSNJYQUFFU-UHFFFAOYSA-N,3,1,0.346,42,42,467.924,4.308,6,0.359,0.63,1.0,0.21244260160372833,0.2383661160989651,0.40349359194023715,0.4139623740662052,0.31706617092728395
EOS-3-45380,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cc5F)c4)n23)ccc1F,YVEMSNSUIWSHBK-UHFFFAOYSA-N,3,1,0.553,34,71,464.863,5.067,5,0.361,0.73,1.0,0.7788962374066205,0.8786666438215338,0.8989017202385032,0.8990473579603866,0.8638779898567611
EOS-3-45381,c1ccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)cc1,NZRMYHDDFOTEDN-UHFFFAOYSA-N,3,1,0.506,12,897,463.526,4.951,6,0.345,0.75,1.0,0.37859810842300046,0.44229319443492565,0.3034319100815571,0.3502501542046467,0.36864334178603253
EOS-3-45382,CCc1nc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1-c1ncccn1,HZHFTQSDINQIEV-UHFFFAOYSA-N,3,1,0.388,46,717,446.421,3.458,5,0.365,0.54,0.906,0.7166575286135289,0.5739925296415599,0.3476201082859297,0.3310431087656775,0.49232831882667405
EOS-3-45383,Fc1cccc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c1F,SZTSHCJSKVQRKD-UHFFFAOYSA-N,3,1,0.344,32,20,453.412,4.849,6,0.377,0.61,0.999,0.3146374477417586,0.4061065040093208,0.7431721609211157,0.7763090261119868,0.5600562846960455
EOS-3-45384,CCCc1cc(-c2cncc3nnc(-c4ccc(-c5ccnn5C)c(C#N)c4)n23)ncn1,XLDZXLABXLZQMU-UHFFFAOYSA-N,3,1,0.303,74,295,421.468,3.473,5,0.427,0.58,1.0,0.1626087999451717,0.1340209718319512,0.33296209992461107,0.28740319374957163,0.22924876636282637
EOS-3-45385,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1-c1ncc(C)cn1,NWPQUIVLOAUVBK-UHFFFAOYSA-N,3,1,0.4,65,116,475.9,3.025,5,0.346,0.61,0.955,0.6496556096223699,0.5412925776163389,0.08506956342951134,0.06517716400520869,0.3352987286683572
EOS-3-45386,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cncnn5)s4)n23)cc1,DWYRUZFHYNPTSW-UHFFFAOYSA-N,3,1,0.354,76,750,452.478,4.573,6,0.387,0.6,0.997,0.22339969844424645,0.3777414159413337,0.5202436433417861,0.6015094921526969,0.43072356247001575
EOS-3-45387,Fc1ncc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)nn1,JNKNFZQEYXLQHC-UHFFFAOYSA-N,3,1,0.415,92,875,436.798,2.2,5,0.378,0.47,1.0,0.5780875197039271,0.7806952916181208,0.29245767939140566,0.3406037968610787,0.49796107189363303
EOS-3-45388,COCc1cnnc(-c2cc(-c3nnc4cncc(OCc5cnc(CF)cn5)n34)cnn2)c1,WCPDMJCNWJMGFE-UHFFFAOYSA-N,3,1,0.39,92,226,460.433,2.023,5,0.336,0.54,0.791,0.4094647385374546,0.3391474196422452,0.15363922966212049,0.11632170516071551,0.25464327325063396
EOS-3-45389,CCc1nccc(COc2cncc3nnc(-c4cc(-c5nccn5C)ccn4)n23)n1,JMZDMXYGXULICC-UHFFFAOYSA-N,3,1,0.394,7,359,413.445,2.518,5,0.418,0.66,0.987,0.19050270714824208,0.12375779590158317,0.05164998971969022,0.02955589061750394,0.09886659584675485
EOS-3-45390,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)c1,CPPZAKILWUFXBB-UHFFFAOYSA-N,3,1,0.522,75,583,461.888,4.366,5,0.347,0.64,1.0,0.9146048934274553,0.8494619971215133,0.6473511068466863,0.6544530875197039,0.7664677712288397
EOS-3-45391,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)ccc1-c1ncno1,SLDWUMULSGDMRE-UHFFFAOYSA-N,3,1,0.415,31,194,451.834,2.31,5,0.336,0.56,0.833,0.519755328627236,0.4155900897813721,0.08507813035432801,0.06693338359262559,0.2718392330888904
EOS-3-45392,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(C#N)nc5)ncc4F)n23)ccc1Cl,BIXZHRLTPMORBC-UHFFFAOYSA-N,3,1,0.506,97,214,471.883,4.8,5,0.362,0.71,1.0,0.9252878486738401,0.9512541977931601,0.9209272839421562,0.9050527722568706,0.9256305256665067
EOS-3-45393,COc1cc(-c2nnc3cncc(OCCc4cnncc4F)n23)ccc1-c1cscn1,YXLIAQLMLDIVCB-UHFFFAOYSA-N,3,1,0.506,35,777,449.471,3.474,5,0.372,0.53,1.0,0.8555959152902474,0.7465560962236996,0.4856589678568981,0.38561441984785144,0.6183563498046741
EOS-3-45394,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nnc(C(F)F)s4)nc3)n12,FTBUKRNUTLAUMP-UHFFFAOYSA-N,3,1,0.543,58,981,470.44,3.798,5,0.331,0.69,0.987,0.784584675484888,0.8460951956685628,0.3963230758686862,0.36333184839969845,0.5975836988554589
EOS-3-45395,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(F)n4)n23)c(F)n1,XLWRETDROXUWFO-UHFFFAOYSA-N,3,1,0.419,46,223,437.435,3.87,5,0.386,0.58,0.999,0.6556610239188541,0.5692378863683092,0.5507590295387568,0.4887773284901652,0.5661088170790213
EOS-3-45396,Cc1cc(Cl)nnc1-c1nncc(-c2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)n1,LEKWUHGHKHKYDL-UHFFFAOYSA-N,3,1,0.258,86,421,480.883,2.914,6,0.366,0.6,0.022,0.20987252415872798,0.2690528407922692,0.08241381673634432,0.13396100335823452,0.173825046261394
EOS-3-45397,Cc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)n1,PUFAJQAOMCUYOX-UHFFFAOYSA-N,3,1,0.426,18,367,448.939,4.893,5,0.368,0.65,1.0,0.5558049482557741,0.5276111986841203,0.48566753478171476,0.5283222534439038,0.5243514837913783
EOS-3-45398,Fc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cscn1,UFKCLUGQSGYVIG-UHFFFAOYSA-N,3,1,0.473,49,814,453.89,4.119,5,0.357,0.6,0.999,0.7229285175793297,0.7187735590432458,0.46835377972722914,0.535021588650538,0.6112693612500857
EOS-3-45399,COc1cc(-c2cc(C)cnn2)ccc1-c1nnc2cncc(OCCc3cncnn3)n12,QYGJHZFLHOHOIU-UHFFFAOYSA-N,3,1,0.489,15,771,441.455,2.372,5,0.371,0.49,1.0,0.38318998012473443,0.13767904872866835,0.15058083750257006,0.10060996504694675,0.19301495785072992
EOS-3-45400,COCOc1ncccc1-c1cncc2nnc(-c3cnc(-c4ccccn4)nc3)n12,DSOLOQXWNIPHDL-UHFFFAOYSA-N,3,1,0.306,82,478,412.413,2.688,5,0.388,0.75,0.986,0.2881399492838051,0.13768761565348503,0.17915153176615722,0.127450140497567,0.1831073093002536
EOS-3-45401,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)[nH]4)n23)cc1,XKOFVDKUKLHSFZ-UHFFFAOYSA-N,3,1,0.31,39,407,470.859,3.888,6,0.385,0.58,0.32,0.2291052703721472,0.3917140703173189,0.39998971969022,0.5708142005345761,0.3979058152285655
EOS-3-45402,Fc1ccc(-c2cccc(-c3nnc4cncc(Cc5ccccc5Cl)n34)c2)nc1,DMKOWRAJPTWMJP-UHFFFAOYSA-N,3,1,0.402,57,358,415.859,5.237,5,0.403,0.81,1.0,0.3808769104242341,0.5183931875813858,0.9171235693235557,0.9481786717839764,0.691143084778288
EOS-3-45403,c1ccc(-c2cnc3nc(-c4cncc5nnc(-c6ccc(-c7cccnn7)nc6)n45)nn3n2)cc1,FUYLRPLLGZXWIS-UHFFFAOYSA-N,3,1,0.274,30,945,470.46,2.81,7,0.377,0.54,0.321,0.13256459461311768,0.1167757521759989,0.049902337057089984,0.10266602700294702,0.1004771777122884
EOS-3-45404,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)s5)n34)nc2)nc1,WDQSGKGOMRCFMY-UHFFFAOYSA-N,3,1,0.333,32,687,439.529,5.1,6,0.38,0.68,1.0,0.05832362415187444,0.12735590432458366,0.35524467137276405,0.39209101500925225,0.2332538037146186
EOS-3-45405,Fc1cccc(-c2cncc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)n1,QTGFEGSWZAKQLX-UHFFFAOYSA-N,3,1,0.483,97,31,433.834,4.015,5,0.386,0.53,1.0,0.5669676512918923,0.6560636693852375,0.6967565622644095,0.727537523130697,0.661831351518059
EOS-3-45406,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCc4cc(F)cc(Cl)c4)n23)cc1F,GGWOBVUETGVQEV-UHFFFAOYSA-N,3,1,0.536,59,16,464.863,5.067,5,0.361,0.71,1.0,0.8991501610581866,0.872961071893633,0.9297683503529574,0.9351740799122746,0.9092634158042628
EOS-3-45407,Cc1ccc(-c2ccnc(-c3nnc4cncc(COc5cccc(-c6cnccn6)n5)n34)c2)nn1,DJSNCYOCXHFLEZ-UHFFFAOYSA-N,3,1,0.29,6,297,474.488,3.383,6,0.354,0.57,1.0,0.24813241038996642,0.15668905489685422,0.19904393119045988,0.1456205880337194,0.18737149612774995
EOS-3-45408,O=c1cc(F)c(-c2ncc(Cc3cncc4nnc(-c5cc(F)cc(Cl)c5)n34)cc2F)c[nH]1,SNKVIHHCHMWBJI-UHFFFAOYSA-N,3,1,0.357,45,358,468.826,4.203,5,0.427,0.57,0.988,0.4007778767733534,0.5413011445411555,0.9384295113426084,0.9591272016996779,0.7099089335891988
EOS-3-45409,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cnn2)cc1,HFVZWSSZGMBUAG-UHFFFAOYSA-N,3,1,0.523,34,89,435.369,3.64,5,0.389,0.52,1.0,0.7874031937495717,0.8211483106024261,0.8812538551161675,0.8783668014529504,0.8420430402302789
EOS-3-45410,Clc1cccc(-n2cnc(COc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)n2)c1,BFPAWVLXVOJRRF-UHFFFAOYSA-N,3,1,0.398,6,843,472.856,3.049,6,0.355,0.64,1.0,0.4007864436981701,0.40611507093413746,0.16621547529298883,0.22519875265574668,0.2995789356452608
EOS-3-45411,Clc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)cnn2)cn1,FWMMHFFLJJMJPE-UHFFFAOYSA-N,3,1,0.325,42,50,463.892,4.421,6,0.353,0.6,1.0,0.24814097731478307,0.37289253649509974,0.6587622507024878,0.6950860119251594,0.49372044410938254
EOS-3-45412,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)s2)nc1,KEOKWPYLBFERKW-UHFFFAOYSA-N,3,1,0.325,38,126,447.527,5.347,6,0.362,0.75,1.0,0.11330614762524845,0.18540538688232472,0.4856761017065314,0.4582362415187444,0.3106559694332123
EOS-3-45413,Cc1nc(COc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)ccc1F,FCNLMXCKDMKGJE-UHFFFAOYSA-N,3,1,0.541,4,202,413.416,3.67,5,0.434,0.65,1.0,0.566976218216709,0.532057432663971,0.6473596737715029,0.5895843328078952,0.5839944143650195
EOS-3-45414,N=c1cc(-c2nnc3cncc(COCc4ccc(Cl)cc4)n23)cc(-c2ccc(F)cc2)[nH]1,FVZNIFINAPQAPT-UHFFFAOYSA-N,3,1,0.533,57,461,460.9,4.775,5,0.381,0.69,0.999,0.41612980604482214,0.46440442738674526,0.9209358508669728,0.9325526009183743,0.6835056713042287
EOS-3-45415,Cn1c(F)cnc1-c1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1Cl,QGSBHVKYEVZCGS-UHFFFAOYSA-N,3,1,0.696,88,70,466.879,4.745,5,0.361,0.65,1.0,0.9023027893907203,0.9491210335138098,0.8577119457199643,0.8770132273319169,0.8965372489891028
EOS-3-45416,Clc1ccc(-c2nnc3cncc(CCc4ccc(-c5cncnn5)nc4)n23)nc1,UXEVHBPVYIULNR-UHFFFAOYSA-N,3,1,0.344,85,580,415.848,2.872,5,0.431,0.55,0.897,0.30670447536152423,0.34894798163251317,0.21651189089164555,0.31237577959015833,0.29613503186896034
EOS-3-45417,Cn1c(F)cnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccn1,ZROWGNQEFJCMKE-UHFFFAOYSA-N,3,1,0.542,75,359,450.865,3.396,5,0.366,0.54,1.0,0.7043982592008773,0.5942190391337125,0.4471163731067096,0.46438729353711194,0.5525302412446028
EOS-3-45418,Cc1cccnc1-c1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccn1,KUMGFBOWHHNLSV-UHFFFAOYSA-N,3,1,0.477,24,912,431.406,3.809,5,0.391,0.55,1.0,0.8198033034062093,0.6803851689397574,0.7119971215132616,0.6488588856144198,0.715261119868412
EOS-3-45419,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)n4)n23)cc1,SEHSPVPVQWHMTK-UHFFFAOYSA-N,3,1,0.48,89,770,488.458,3.061,5,0.354,0.8,0.996,0.48960832019738193,0.2129566170927284,0.2817318895209376,0.2021194571996436,0.2966040710026729
EOS-3-45420,FCc1nc(Cl)c(CCOc2cncc3nnc(-c4ncc(-c5ccsc5)[nH]4)n23)o1,DLLLHNSGBOIBRY-UHFFFAOYSA-N,3,1,0.44,65,811,445.867,3.975,5,0.403,0.57,0.992,0.44627681447467615,0.2897590980741553,0.13239325611678432,0.20803920224796107,0.2691170927283942
EOS-3-45421,COc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cnnn6C)cn5)n34)cnn2)cn1,GVRRWCDFHSXPGR-UHFFFAOYSA-N,3,1,0.279,99,719,464.453,1.904,6,0.368,0.51,0.998,0.06934925639092591,0.06018264683709136,0.09935062709889658,0.06872387087930916,0.07440160030155575
EOS-3-45422,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)cc1,CDOFJZAUJSIPAV-UHFFFAOYSA-N,3,1,0.288,69,645,416.444,5.175,6,0.394,0.84,1.0,0.12400623672126654,0.05634466451922418,0.6857480638749914,0.7513450071962169,0.4043609930779247
EOS-3-45423,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5cnn(C(F)F)c5)n34)cc2Cl)cc1F,LLYALJSPXPVZEO-UHFFFAOYSA-N,3,1,0.327,45,575,459.794,5.044,5,0.352,0.73,1.0,0.1847457336714413,0.45104002467274346,0.9747447056404633,0.9786854910561305,0.6473039887601946
EOS-3-45424,COc1nnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)ccn2)s1,JLJBEEHWNULHNP-UHFFFAOYSA-N,3,1,0.457,53,241,467.902,2.778,5,0.352,0.57,1.0,0.5197638955520526,0.5508361318621068,0.04320300185045576,0.056096223699540815,0.29247481324103897
EOS-3-45425,Fc1ccc(-c2ncc(-c3nnc4cncc(Cc5ccc(-c6nccs6)nc5)n34)cn2)nc1,SKJHNLNCSIJRAW-UHFFFAOYSA-N,3,1,0.33,86,557,467.493,3.892,6,0.376,0.55,1.0,0.24814954423959976,0.289767664998972,0.2593979165238846,0.2847303132067713,0.27051135974230694
EOS-3-45426,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cncc(F)c1,SRVBRYZSMZXESJ-UHFFFAOYSA-N,3,1,0.44,87,657,478.875,3.461,5,0.347,0.68,1.0,0.6804708381879241,0.7234768007675965,0.42527928174902335,0.4139709409910219,0.5607994654238915
EOS-3-45427,COc1cc(-c2nnc3cncc(OCc4ccnc(C(F)F)c4)n23)ccc1-c1cnccn1,HAEVDWYYHFVGER-UHFFFAOYSA-N,3,1,0.478,27,248,461.432,4.169,5,0.356,0.58,1.0,0.8348896580083613,0.6657785621273388,0.8419059694332123,0.6747138647111233,0.7543220135700089
EOS-3-45428,c1cnc(-c2csc(COc3cncc4nnc(-c5ccnc(-c6ccsc6)c5)n34)n2)nc1,KFHMJYUCFHRCFK-UHFFFAOYSA-N,3,1,0.477,80,597,470.543,4.407,6,0.353,0.7,1.0,0.3346069494894113,0.3729011034199164,0.14155129874580222,0.14795079158385305,0.2492525358097457
EOS-3-45430,Cc1ccc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)cc1-c1nccn1C,WMZZBWAONRNTGE-UHFFFAOYSA-N,3,1,0.483,16,772,433.422,3.752,5,0.393,0.54,1.0,0.6712870947844561,0.5740010965663765,0.7431807278459325,0.6570917003632376,0.6613901548900006
EOS-3-45431,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3nc(-c4cc(C)[nH]n4)cs3)n12,WWAUVJYBXHYHKU-UHFFFAOYSA-N,3,1,0.312,98,259,470.522,3.417,6,0.406,0.61,0.984,0.13257316153793433,0.11678431910081558,0.09218867795216229,0.062024535672674935,0.10089267356589679
EOS-3-45432,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(C)cccc5Cl)cc4F)n23)cc1,ZQPNFPYBFVPQCX-UHFFFAOYSA-N,3,1,0.385,62,3,471.923,5.586,5,0.371,0.84,1.0,0.3763792748954835,0.44686793228702626,0.9131999177575217,0.8964944143650195,0.6582353848262628
EOS-3-45433,Cc1ncc(-c2cc(Oc3cncc4nnc(-c5ccc(C#N)cc5)n34)n(C)n2)n1C,KXZDAGOWBLFFJL-UHFFFAOYSA-N,3,1,0.459,36,926,411.429,2.898,5,0.447,0.73,1.0,0.5353642656432047,0.47309985607566307,0.2779710095264204,0.20804776917277773,0.37362072510451655
EOS-3-45434,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5cnc(C)cn5)nn4)n23)nc1,MGWCKXDRVMUGTI-UHFFFAOYSA-N,3,1,0.376,33,53,479.464,0.808,5,0.355,0.61,1.0,0.3067130422863409,0.12376636282639984,0.04802618052223974,0.013655678157768487,0.12304031594818723
EOS-3-45435,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ncncc5F)c4)n23)c1F,DABKRAXNTHRPAD-UHFFFAOYSA-N,3,1,0.511,37,125,463.423,3.991,5,0.376,0.58,0.999,0.9596412171886779,0.9272154067575903,0.8120159687478583,0.7763175930368035,0.8687975464327324
EOS-3-45436,Fc1ccc(-c2nnc3cncc(-c4[nH]c(-c5nccs5)nc4-c4ccccc4)n23)c(F)c1,GAENTTDPQDTXSJ-UHFFFAOYSA-N,3,1,0.387,30,298,457.469,5.25,6,0.391,0.74,0.985,0.17330888904118977,0.45104859159756017,0.6261308340758002,0.7383832499485985,0.4972178911657872
EOS-3-45437,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)cnn2)cc1C#N,ZYFTZYPCUZMNFZ-UHFFFAOYSA-N,3,1,0.438,53,778,436.439,2.235,5,0.389,0.48,0.999,0.5641491330272086,0.5092951134260846,0.28174045644575424,0.2725481461174697,0.40693321225412926
EOS-3-45438,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)n1,IVRLEDYLGQKBGQ-UHFFFAOYSA-N,3,1,0.479,65,361,412.417,1.758,5,0.406,0.67,1.0,0.6467514221095195,0.5231392639298198,0.05738126242204098,0.04804331437187307,0.3188288157083133
EOS-3-45439,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)n4)n23)c1,KCDAQLWOGWCJFW-UHFFFAOYSA-N,3,1,0.472,46,338,418.367,2.896,5,0.402,0.58,1.0,0.569940374203276,0.5646374477417586,0.5405729559317387,0.5350301555753547,0.5525452333630321
EOS-3-45440,COc1cc(-c2csc(C)n2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,ICNITVXTPVRXEJ-UHFFFAOYSA-N,3,1,0.33,62,302,482.569,4.791,6,0.374,0.83,0.998,0.25080529093276677,0.11384586388869851,0.27797957645123705,0.2314012062230142,0.21850798437392913
EOS-3-45441,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-n6ccnc6)cc5)n34)no2)n1,PJUOQFAZMOUFLX-UHFFFAOYSA-N,3,1,0.291,98,968,411.389,1.822,6,0.426,0.71,1.0,0.045379000753889384,0.037994311561921734,0.05920601740799123,0.07041155506819272,0.05324772119799877
EOS-3-45442,Cn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3ccc(OC(F)F)cc3F)n12,RGRMPKRZOQLMGD-UHFFFAOYSA-N,3,1,0.419,22,311,456.363,3.528,5,0.295,0.71,0.696,0.3093687889795079,0.6266962511137002,0.7329175519155644,0.7789733397299705,0.6119889829346857
EOS-3-45443,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c(OC)n1,RVCNLLSVFNUCBP-UHFFFAOYSA-N,3,1,0.465,26,456,460.473,3.234,5,0.325,0.62,0.999,0.5121821670893016,0.36825783016928243,0.26284182030018505,0.16354259475018848,0.3267061030772394
EOS-3-45444,CCn1cncc1-c1cc(-c2nnc3cncc(CCc4nnc(C)o4)n23)cc(Cl)n1,QNQLLRIUTVARTO-UHFFFAOYSA-N,3,1,0.344,85,60,435.879,3.2,5,0.373,0.56,0.999,0.12978034404770064,0.1854139538071414,0.032083133438420945,0.05068192721540676,0.09948983962716744
EOS-3-45445,c1cnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cs2)cn1,NTGMADKHHRIDAA-UHFFFAOYSA-N,3,1,0.423,80,584,455.467,2.464,6,0.397,0.54,1.0,0.3487338085120965,0.41088684805702147,0.05165855664450689,0.0427403879103557,0.21350490028099514
EOS-3-45446,OCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccn2)ccc1F,ZBQNSMVMPBNGGX-UHFFFAOYSA-N,3,1,0.533,11,201,476.899,4.155,5,0.352,0.73,1.0,0.8755654170379,0.8058135151805907,0.8692772942224659,0.854884860530464,0.8513852717428552
EOS-3-45447,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ccnc(Cl)c5)cn4)n23)ccc1Cl,VEKDKIHYXZTDNI-UHFFFAOYSA-N,3,1,0.467,16,401,464.316,4.838,5,0.344,0.71,1.0,0.7348622438489479,0.8427026934411623,0.7756065382770201,0.8014957850729902,0.7886668151600301
EOS-3-45448,Fc1cc(Cl)cc(COc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)c1,LDXZZASAIBYSFG-UHFFFAOYSA-N,3,1,0.577,57,962,449.848,5.364,5,0.338,0.74,1.0,0.8714104585018162,0.9122318552532382,0.9681481735316291,0.9730398876019464,0.9312075937221576
EOS-3-45449,Fc1cnc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nc1,QHXAITWQUMEXSU-UHFFFAOYSA-N,3,1,0.667,34,293,467.291,5.273,5,0.35,0.76,1.0,0.9835001028030979,0.9832859296826811,0.9161812075937221,0.9435439654581591,0.956627801384415
EOS-3-45450,Cc1cnc(-c2ncccc2-c2nnc3cncc(Cc4ccc(-c5csnn5)cc4)n23)cn1,FXGZOHXXFKAOKM-UHFFFAOYSA-N,3,1,0.297,38,339,463.53,4.061,6,0.377,0.58,1.0,0.1297889109725173,0.09795421835377972,0.23451956685628128,0.24011376876156534,0.1755941162360359
EOS-3-45451,c1nnc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccsc6)nn5)n34)cc2)o1,IZXTUYGQCMKMEE-UHFFFAOYSA-N,3,1,0.3,98,620,413.426,3.151,6,0.433,0.65,1.0,0.035055856349804675,0.0380028784867384,0.18884929065862519,0.21960455075046262,0.1203781440614077
EOS-3-45452,COC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncs5)ncn4)n23)nn1,OKDABXPUMKIJBX-UHFFFAOYSA-N,3,1,0.384,53,587,447.44,1.86,5,0.352,0.55,0.908,0.28006133918168735,0.19875265574669318,0.02864779658693715,0.011736686998834898,0.12979961962853814
EOS-3-45453,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccoc6)cc5)n34)s2)no1,VNSRCNSSHHTJFF-UHFFFAOYSA-N,3,1,0.309,38,983,426.461,5.138,6,0.385,0.71,1.0,0.20431258995271057,0.2179340004112124,0.339927009800562,0.37610513330135015,0.28456968336645877
EOS-3-45454,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)n4)n23)ccc1F,FUYHYSNTJLOBEX-UHFFFAOYSA-N,3,1,0.414,46,814,464.411,3.386,5,0.352,0.59,1.0,0.8094715920773079,0.7375008566924817,0.45066307998081007,0.43616784319100815,0.608450842985402
EOS-3-45455,CCOc1ccc(Cl)c(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)ns4)n23)n1,LXAOBBXXEHJYAA-UHFFFAOYSA-N,3,1,0.385,22,837,453.89,4.563,5,0.385,0.67,1.0,0.3670241929956823,0.569246453293126,0.2665598656706189,0.38906689054896854,0.3979743506270989
EOS-3-45456,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nn4)n23)c1F,FSBUDXRQLQPWFE-UHFFFAOYSA-N,3,1,0.398,54,564,419.355,2.29,5,0.423,0.51,0.995,0.6954372558426427,0.5231478308546365,0.36629600438626553,0.38256459461311765,0.49186142142416556
EOS-3-45457,N#Cc1c(Cl)ccc(COc2cncc3nnc(-c4ccccc4F)n23)c1Cl,MJUCAZYSRXFGJH-UHFFFAOYSA-N,3,1,0.584,23,17,414.227,4.688,4,0.485,0.67,1.0,0.9628538139949284,0.9733911315194298,0.9781800424919471,0.9863785895414982,0.9752008943869509
EOS-3-45458,Cc1nnc(-c2ccc(OCc3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)nc2)n1C,FCKCCPJWFZCXON-UHFFFAOYSA-N,3,1,0.352,85,52,467.415,3.341,5,0.35,0.59,1.0,0.41836577342197245,0.5551195942704407,0.40723733808512097,0.31844116236035913,0.42479096703447333
EOS-3-45459,CCn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Cl)cn1,PGNGLVFAYNOJNU-UHFFFAOYSA-N,3,1,0.565,16,32,466.332,4.956,5,0.352,0.69,1.0,0.857874717291481,0.8173188952093756,0.7250274141594133,0.7692755808375026,0.792374151874443
EOS-3-45460,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(COC)cn4)n23)nc1,LDXJGOPVKKGNMU-UHFFFAOYSA-N,3,1,0.443,33,457,406.406,1.061,4,0.479,0.77,1.0,0.3093773559043246,0.09490439311904598,0.05921458433280789,0.015180590775135358,0.11966923103282845
EOS-3-45461,Cn1ccnc1-c1cc(Cl)nc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,NUYNOXSWCWRUPD-UHFFFAOYSA-N,3,1,0.535,73,391,470.295,4.612,5,0.349,0.69,1.0,0.8299636762387773,0.8865739154273182,0.8174730998560756,0.8479627852785964,0.8454933692001918
EOS-3-45462,COc1ncc(-c2nnc3cncc(OCCc4ccnc(C#N)c4F)n23)cc1-c1nccn1C,AMVLFNSSJUQKHC-UHFFFAOYSA-N,3,1,0.474,65,804,471.456,2.623,5,0.352,0.62,1.0,0.6095109999314646,0.5050630525666506,0.3329706668494277,0.21419882119114522,0.41543588513467206
EOS-3-45463,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)nc2)nn1,IFUNIQDCHSECPT-UHFFFAOYSA-N,3,1,0.523,89,926,409.413,2.432,5,0.434,0.74,1.0,0.43218422315125765,0.4687050236447125,0.4399544239599753,0.37941196628058393,0.43006390925913235
EOS-3-45464,COCc1nc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)cn2)n[nH]1,GBCYISFVAHLSHS-UHFFFAOYSA-N,3,1,0.426,55,45,454.903,3.412,5,0.397,0.56,1.0,0.4392005345761086,0.5231563977794531,0.20253066959084368,0.2080563360975944,0.34323598451099996
EOS-3-45465,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)cc2)n1C,RCDQYDNMQXKZIE-UHFFFAOYSA-N,3,1,0.337,69,898,449.543,5.291,6,0.366,0.7,1.0,0.12979747789733398,0.1273644712494003,0.5637893221849085,0.515060653827702,0.3340029812898362
EOS-3-45466,CCCn1cc(-c2ccc(F)c(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)n2)cn1,ROLGOVXNYRSYND-UHFFFAOYSA-N,3,1,0.248,10,871,466.484,3.847,6,0.367,0.61,0.996,0.043862655061339184,0.09796278527859639,0.09439037763004592,0.13175073675553423,0.09199163868137893
EOS-3-45467,Fc1c(CCOc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)ccnc1Cl,WBPRHSNUODJEPQ-UHFFFAOYSA-N,3,1,0.565,75,262,438.81,3.045,5,0.368,0.55,1.0,0.737800699061065,0.6179751216503324,0.42861181550270716,0.4582448084435611,0.5606581111644164
EOS-3-45468,Cc1cnc(-c2cc(CF)nc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cn1,JEEAGCOOSKNJCQ-UHFFFAOYSA-N,3,1,0.385,31,602,477.891,3.486,5,0.347,0.61,0.815,0.5404530189843054,0.5320659995887876,0.20971831951202796,0.22253443903776302,0.37619294428072103
EOS-3-45469,CCCc1nc(Oc2nccc(C)n2)ccc1-c1cncc2nnc(-c3ccc(OC)nc3)n12,ANDBUNMAGFVYIQ-UHFFFAOYSA-N,3,1,0.263,82,336,454.494,4.1,5,0.358,0.63,1.0,0.30148721814817353,0.1110273456240148,0.1070094578849976,0.03911657871290521,0.13966015009252278
EOS-3-45470,Cc1cccc(CCOc2cncc3nnc(-c4cnnc(-c5ccnc(F)c5)c4)n23)n1,AMZHCYQZQPXBID-UHFFFAOYSA-N,3,1,0.454,87,778,428.431,3.107,5,0.38,0.53,0.994,0.6180522239736824,0.5894986635597286,0.3740919059694332,0.3342128709478446,0.4789639161126722
EOS-3-45471,CCn1cnnc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)nn4)n23)cc(F)n1,GIJZUZLISSTLIV-UHFFFAOYSA-N,3,1,0.392,36,105,453.829,2.021,5,0.351,0.54,1.0,0.37638784182030016,0.45559762867521075,0.03612672195188815,0.06518573093002536,0.2333244808443561
EOS-3-45472,Cc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5cnc(C)o5)c4)n23)sn1,DJYPHKRQOFBIEV-UHFFFAOYSA-N,3,1,0.575,16,439,422.445,4.238,5,0.418,0.65,1.0,0.5669847851415256,0.5646460146665753,0.41770612021108905,0.3502587211294634,0.47489891028716336
EOS-3-45473,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccn2)cc1C,IFUVUPHRTIRQHF-UHFFFAOYSA-N,3,1,0.511,75,583,457.925,4.535,5,0.369,0.63,0.67,0.6774895483517237,0.67526214789939,0.5063823589884175,0.4676427249674457,0.5816941950517442
EOS-3-45474,CCc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cc(C)nc(C)n1,SSRBFBMFBFVYPS-UHFFFAOYSA-N,3,1,0.412,44,717,473.487,4.68,5,0.354,0.71,0.738,0.6863648824617915,0.5692550202179426,0.5405815228565554,0.4613289013775615,0.5643825817284628
EOS-3-45475,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3ncc(-c4nccs4)cn3)n12,BMORPQMNRNKYSI-UHFFFAOYSA-N,3,1,0.435,51,969,456.413,3.756,5,0.356,0.63,1.0,0.6437015968747858,0.7807038585429374,0.5236704132684532,0.4487612226715098,0.5992092728394216
EOS-3-45476,CC(F)c1ncc(-c2nnc3cncc(-c4cnn(-c5cccc(C(F)F)n5)c4)n23)cc1F,CDTGAVBMWQJKPZ-UHFFFAOYSA-N,3,1,0.337,50,243,454.391,4.541,5,0.363,0.63,0.701,0.016405661023918855,0.2487492289767665,0.8760794325269001,0.8015043519978069,0.48568466863134807
EOS-3-45477,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccc(F)nc5)c4)n23)cc1F,OCFDVOIIRGCSEY-UHFFFAOYSA-N,3,1,0.448,16,788,474.431,2.86,5,0.373,0.56,1.0,0.6712956617092728,0.4336834349941745,0.6175896100335824,0.5080357754780344,0.557651120553766
EOS-3-45478,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5F)cc4F)n23)cc1,QRQKJPFLERZFKC-UHFFFAOYSA-N,3,1,0.362,83,405,460.415,5.329,5,0.339,0.8,1.0,0.49969159070659996,0.6461517373723529,0.9613974367760949,0.9474847508738263,0.7636813789322185
EOS-3-45479,COc1ccc(-c2nnnn2C)cc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)nc3)n12,YUDDJBQRBHPLNR-UHFFFAOYSA-N,3,1,0.326,39,495,481.455,2.649,6,0.338,0.69,0.89,0.23454526763073127,0.25866116098965114,0.16622404221780548,0.1743454869440066,0.20844398944554865
EOS-3-45480,Cc1cnc(-c2ccc(F)c(-c3nnc4cncc(-c5ccc(-c6nnc(C)n6C)nn5)n34)n2)cn1,JQBBPCHKOMKXBP-UHFFFAOYSA-N,3,1,0.275,99,794,480.471,2.652,6,0.37,0.6,0.374,0.13258172846275101,0.19876122267150984,0.029847166061270646,0.03665787129052155,0.09946199712151325
EOS-3-45481,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cccnn6)nn5C)n34)cn2)nn1,VRMOOMCJCOSWAL-UHFFFAOYSA-N,3,1,0.394,71,826,477.492,2.721,6,0.352,0.6,1.0,0.28814851620862175,0.23837468302378179,0.09935919402371325,0.07042012199300939,0.17407562881228156
EOS-3-45482,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)ncn1,WSGLQHKBWOGKTJ-UHFFFAOYSA-N,3,1,0.386,31,194,452.931,3.801,5,0.37,0.57,0.898,0.4072287711603043,0.29498492221232264,0.20253923651566033,0.22520731958056336,0.28249006236721264
EOS-3-45483,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)cc2F)o1,IRALQLFQDLQGDU-UHFFFAOYSA-N,3,1,0.551,37,629,469.839,4.098,5,0.342,0.68,1.0,0.9071259680625042,0.8812024535672675,0.6776694537728737,0.6806593105338907,0.7866642964841339
EOS-3-45484,COc1nc(-c2nncn2C)ccc1-c1nnc2cncc(OCc3ccc(F)nc3Cl)n12,UMUMUVVESCJRSN-UHFFFAOYSA-N,3,1,0.435,36,180,467.852,2.757,5,0.347,0.57,1.0,0.5611678431910082,0.5093036803509012,0.23095572613254747,0.21961311767527927,0.38026009183743403
EOS-3-45485,Cc1cncc(COc2cncc3nnc(-c4cc(-c5cc(F)nc(Cl)c5)ncn4)n23)c1F,WUWZEQSAKNIMQL-UHFFFAOYSA-N,3,1,0.402,46,395,466.839,3.857,5,0.36,0.59,0.905,0.7408162565965322,0.6179836885751491,0.7616510177506682,0.7434634363648824,0.715978599821808
EOS-3-45486,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6csnn6)cn5)n34)nn2)cc1Cl,SBIOHYCFUOQNPL-UHFFFAOYSA-N,3,1,0.253,10,37,476.888,3.745,6,0.378,0.64,0.96,0.009475018847234597,0.15669762182167088,0.4577993283530944,0.5865345075731615,0.3026266191487903
EOS-3-45487,CCc1nc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1cnc(COC)nc1,IEPKPGYWFONXEI-UHFFFAOYSA-N,3,1,0.37,31,690,469.509,2.764,5,0.318,0.6,0.989,0.28264855047632104,0.13402953875676787,0.04025597971352204,0.022376807621136318,0.11982771914193681
EOS-3-45488,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ncccn6)n5)n34)cc2)c1,UQACYPOVESOTAV-UHFFFAOYSA-N,3,1,0.457,40,355,477.463,3.818,6,0.353,0.62,1.0,0.7198701254197793,0.705100747035844,0.45780789527791105,0.46133746830237815,0.5860290590089782
EOS-3-45489,Cc1ccc(-c2nnc3cncc(CCc4ccnc(OCc5ccc(F)c(F)c5)c4)n23)cc1,LNQYGXCUKKKBJK-UHFFFAOYSA-N,3,1,0.478,14,886,457.484,5.137,5,0.339,0.78,0.999,0.7929802618052224,0.8702967582756493,0.9011633883901035,0.8617555342334315,0.8565489856761017
EOS-3-45490,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)s4)n23)cc1Cl,VRQKKHBTIGYVGC-UHFFFAOYSA-N,3,1,0.518,36,610,459.869,4.159,5,0.392,0.55,0.997,0.6153365088067987,0.7375094236172983,0.6993095058597766,0.7222945651428964,0.6936125008566925
EOS-3-45491,c1cncc(-c2ccc(-c3nnc4cncc(Cc5cc(-c6ccncc6)cs5)n34)cn2)c1,RJCNSXXXBUJIRO-UHFFFAOYSA-N,3,1,0.385,42,723,447.527,4.963,6,0.371,0.69,1.0,0.11602186279213214,0.1769755328627236,0.5706171612637927,0.5770423548762936,0.3601642279487355
EOS-3-45492,Cn1nnnc1-c1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cn1,IMGOCIQETIGKJT-UHFFFAOYSA-N,3,1,0.478,56,415,481.455,2.552,6,0.349,0.66,1.0,0.634980467411418,0.45988109108354464,0.18235556164759098,0.19093105338907546,0.3670370433829072
EOS-3-45493,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)n1C,PZJIACLVCBLNEB-UHFFFAOYSA-N,3,1,0.347,93,220,433.475,4.822,6,0.396,0.61,1.0,0.16532451511205537,0.10114111438558016,0.33638030292646154,0.36654444520594887,0.2423475944075115
EOS-3-45494,OCCc1cnc(-c2nnc3cncc(OCCc4ccnc(C(F)F)c4)n23)cn1,RTKLLRFARDKHED-UHFFFAOYSA-N,3,1,0.438,68,127,413.388,2.07,4,0.467,0.61,1.0,0.47979062435748066,0.40154033308203685,0.4361335754917415,0.34061236378589543,0.41451922417928855
EOS-3-45495,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)s1,DQEBVUNXTSNSSH-UHFFFAOYSA-N,3,1,0.441,95,493,452.931,3.627,5,0.363,0.59,1.0,0.2937684188883558,0.28977623192378865,0.15661195257350422,0.17435405386882324,0.22862766431361797
EOS-3-45496,COc1ncc(F)cc1-c1cccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,ICCSNOBSIPZQSR-UHFFFAOYSA-N,3,1,0.348,96,478,448.408,5.001,5,0.377,0.65,0.996,0.5837502570077445,0.7507624563086834,0.9280121307655405,0.8783753683777671,0.7852250531149338
EOS-3-45497,Cc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cn1,APVIMONBZUESTJ-UHFFFAOYSA-N,3,1,0.402,63,9,403.421,2.512,5,0.55,0.86,1.0,0.14889315331368652,0.21794256733602907,0.14733397299705298,0.1827753409636077,0.17423625865259407
EOS-3-45498,Cc1cncc(-n2ncc(-c3cncc4nnc(-c5nccnc5-c5ncc(Cl)cn5)n34)n2)c1,ZYQXISVHVIDADR-UHFFFAOYSA-N,3,1,0.22,86,953,468.872,2.643,6,0.379,0.52,0.869,0.0051658556644506885,0.07856726749366047,0.03886813789322185,0.07635700089096017,0.049739565485573296
EOS-3-45499,Cc1cncc(-c2ccnc(COc3cncc4nnc(-c5ccnc(F)c5)n34)n2)n1,XMQHLTKFFMXNAR-UHFFFAOYSA-N,3,1,0.426,7,99,415.392,2.46,5,0.399,0.62,1.0,0.5982711945719964,0.5320745665136043,0.1956085943389761,0.1717068741004729,0.3744153073812624
EOS-3-45500,Fc1cc(Cl)c(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)cc1-c1ccccn1,SNCMMGPWYIQNOI-UHFFFAOYSA-N,3,1,0.529,59,71,468.279,4.668,5,0.346,0.71,1.0,0.7646665752861352,0.8587142759235145,0.8035775478034405,0.8463179357137962,0.8183190836817216
EOS-3-45501,Cn1nc(-c2nnc3cncc(Oc4ncccc4Cl)n23)cc1-c1ccc(Cl)s1,PCQWDELSUPGZBX-UHFFFAOYSA-N,3,1,0.345,95,956,444.307,4.747,5,0.398,0.67,1.0,0.360222054691248,0.3917226372421356,0.4035021588650538,0.5247669796449866,0.420053457610856
EOS-3-45502,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cc1,MGVLWCSGXMWLAY-UHFFFAOYSA-N,3,1,0.595,57,962,449.848,5.364,5,0.338,0.78,1.0,0.9316016722637243,0.9350969775889246,0.9648841751764786,0.9709752587211294,0.9506395209375643
EOS-3-45503,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)o1,OIANAURJECRCAB-UHFFFAOYSA-N,3,1,0.534,15,655,437.912,5.091,5,0.368,0.73,1.0,0.8420858748543623,0.7807124254677541,0.5474179288602563,0.538139949283805,0.6770890446165444
EOS-3-45504,N#Cc1cc(Cl)nc(-c2ccc(-c3nnc4cncc(-c5ccncn5)n34)cn2)c1,DRFGMKLKAGGPQT-UHFFFAOYSA-N,3,1,0.349,50,155,411.816,3.23,5,0.415,0.69,0.999,0.3042372010143239,0.4108954149818381,0.5994277294222465,0.6488674525392365,0.4908569494894113
EOS-3-45505,CCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nccc(C)n1,YKYSQIGQSIQNKU-UHFFFAOYSA-N,3,1,0.422,18,578,472.94,4.184,5,0.325,0.69,1.0,0.6349890343362347,0.6365653485025016,0.18885785758344184,0.18538825303269138,0.4114501233637174
EOS-3-45506,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4Cl)n23)n1,HTLNXABMAVQWLK-UHFFFAOYSA-N,3,1,0.449,20,324,466.292,3.362,5,0.347,0.58,1.0,0.7135477349050785,0.8058220821054074,0.25573983962716745,0.3599050784730313,0.5337536837776712
EOS-3-45507,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5c(C)nn(C)c5C)nc4)n23)ccc1Cl,RWKHRFMMWXBUJK-UHFFFAOYSA-N,3,1,0.529,16,677,459.941,4.744,5,0.377,0.69,0.999,0.4510314577479268,0.5740096634911932,0.4506716469056268,0.3950551709958193,0.4676919847851415
EOS-3-45508,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1nnc(C)s1,MRLGCXUZJNKSBR-UHFFFAOYSA-N,3,1,0.457,53,717,464.942,4.203,5,0.344,0.68,0.385,0.4094733054622713,0.4556061956000274,0.10178363374683023,0.12319237886368309,0.272513878418203
EOS-3-45509,Fc1ncccc1-c1ccnc(-c2nnc3cncc(OCCc4ncccn4)n23)c1,YWTAQODKTAERPU-UHFFFAOYSA-N,3,1,0.409,18,840,414.404,2.799,5,0.391,0.66,1.0,0.6467599890343362,0.5646545815913919,0.27407305873483656,0.284738880131588,0.44255662737303814
EOS-3-45510,OCc1ccc(-c2ccc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)s2)cc1,AAXYFYUFABRHTK-UHFFFAOYSA-N,3,1,0.276,30,93,462.538,5.136,6,0.382,0.71,1.0,0.18766705503392503,0.18122472757179084,0.6587708176273045,0.6892262353505586,0.4292222088958948
EOS-3-45511,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)cn1,GPBWFXZPOUOIQP-UHFFFAOYSA-N,3,1,0.558,65,981,410.441,2.968,5,0.421,0.73,1.0,0.6742255499965732,0.5603282845589748,0.2628503872250017,0.19902679734082654,0.42410775478034407
EOS-3-45512,Cc1nc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1-c1ccnnc1,PJMDNAXPWMBHON-UHFFFAOYSA-N,3,1,0.381,53,602,463.864,3.156,5,0.374,0.5,1.0,0.6556695908436707,0.6706274415735728,0.3106109930779247,0.35026728805428003,0.4967938283873621
EOS-3-45513,c1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)cc1,ORJMCFOMPIFRKV-UHFFFAOYSA-N,3,1,0.458,38,553,408.381,3.558,6,0.431,0.85,1.0,0.19316702076622574,0.15284250565417037,0.18886642450825852,0.23140977314783084,0.19157143101912139
EOS-3-45514,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)s1,AJTBGFVENJLBJQ-UHFFFAOYSA-N,3,1,0.74,91,781,466.929,5.032,5,0.349,0.73,1.0,0.8714190254266329,0.8989702556370365,0.6667209238571722,0.6977931601672264,0.783725841272017
EOS-3-45515,CCc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,BLHKYWGZTNYUTD-UHFFFAOYSA-N,3,1,0.361,96,204,428.446,5.415,5,0.374,0.77,0.247,0.33923308889041187,0.4423017613597423,0.8871821670893016,0.8326365567815777,0.6253383935302583
EOS-3-45516,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nccc(C)n5)ccn4)n23)cc1,QVMOIJDRCMPZHH-UHFFFAOYSA-N,3,1,0.53,89,744,409.453,3.839,5,0.435,0.79,1.0,0.543091631827839,0.41559865670618873,0.39633164279350286,0.29355424576793915,0.41214404427386747
EOS-3-45517,c1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cncs6)n5)n34)cc2)cs1,LPPXHTOARKGVJZ-UHFFFAOYSA-N,3,1,0.467,40,355,470.543,4.407,6,0.353,0.69,1.0,0.45104002467274346,0.5004197793160168,0.2924662463162223,0.27255671304228635,0.3791206908368172
EOS-3-45518,Cc1ccc2oc(CCOc3cncc4nnc(-c5ccc(F)c(-c6cncnc6)c5)n34)cc2n1,IERJDGWMMRWODW-UHFFFAOYSA-N,3,1,0.465,11,494,467.464,4.459,6,0.354,0.67,1.0,0.9039390720307039,0.8837639640874512,0.6382530326913851,0.5985881707902131,0.7561360598999384
EOS-3-45519,COc1ccc(-c2nnc3cncc(-c4c(-c5ccnc(F)c5)nc(C)n4C)n23)cn1,PXQFPJAVFNMXIQ-UHFFFAOYSA-N,3,1,0.322,50,155,416.42,3.105,5,0.415,0.64,0.999,0.317207525186759,0.3870793639915016,0.24876636282639983,0.19093962031389214,0.28599821807963816
EOS-3-45520,Cc1nc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)c(Cl)c2)n(C)n1,UWNZTBBTNXBTCQ-UHFFFAOYSA-N,3,1,0.261,98,866,484.915,2.801,6,0.37,0.71,1.0,0.14329038448358578,0.22831711328901377,0.03887670481803852,0.07042868891782605,0.12022822287711603
EOS-3-45521,CCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)s1,LSZQXTTWSIRHAB-UHFFFAOYSA-N,3,1,0.381,63,334,404.499,3.293,5,0.533,0.89,1.0,0.07939825920087726,0.019661092454252623,0.0212631073949695,0.0314577479268042,0.0379450517442259
EOS-3-45522,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)cc1,PHFKVYBNDCPDMJ-UHFFFAOYSA-N,3,1,0.535,26,320,449.877,4.001,5,0.364,0.55,1.0,0.8975738468919197,0.832396682886711,0.7548574463710507,0.7303389075457474,0.8037917209238572
EOS-3-45523,Cc1cncc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4Cl)n23)n1,OOOZTFSCPBHVEF-UHFFFAOYSA-N,3,1,0.424,7,775,449.837,3.113,5,0.373,0.53,1.0,0.665153176615722,0.7001833321910766,0.23452813378109794,0.2671167157837023,0.46674533959289966
EOS-3-45524,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nncc(C)n5)cnn4)n23)cc1,WIMDLLAZILHDSZ-UHFFFAOYSA-N,3,1,0.512,36,534,411.429,2.629,5,0.43,0.66,1.0,0.42557912411760673,0.38708793091631827,0.13528887670481804,0.11633027208553218,0.2660715509560688
EOS-3-45525,Fc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,PXMCLMSLXZWKOY-UHFFFAOYSA-N,3,1,0.398,18,658,415.392,2.194,5,0.385,0.62,0.958,0.5071276814474677,0.4468764992118429,0.19561716126379275,0.20806490302241107,0.3394215612363786
EOS-3-45526,Cc1ccc(-c2nnc3cncc(-c4c(-c5ccc(F)nc5F)nc(C)n4C)n23)cn1,DOJZNKLIKBUUMU-UHFFFAOYSA-N,3,1,0.387,50,155,418.411,3.544,5,0.417,0.61,1.0,0.25575697347680076,0.33915598656706186,0.3514152559797135,0.35340278253718044,0.32493274964018914
EOS-3-45527,COc1ccc(-c2cncc(-c3cncc4nnc(-c5nccnc5-c5cncc(F)c5)n34)n2)cn1,YJJPVYGOAVJFHH-UHFFFAOYSA-N,3,1,0.258,86,953,478.451,3.31,6,0.364,0.6,0.986,0.4672058118017956,0.45988965800836135,0.2889366732917552,0.2787848673840038,0.37370425262147905
EOS-3-45528,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cscn1,IBUGSXNQNWTDPW-UHFFFAOYSA-N,3,1,0.446,49,501,465.926,3.988,5,0.332,0.64,1.0,0.6621290521554383,0.5895072304845452,0.3143890069220753,0.27879343430882053,0.46120468096771977
EOS-3-45529,FCc1nc(-c2cncs2)cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)n1,UWNMFCGOWWJZIK-UHFFFAOYSA-N,3,1,0.444,18,578,452.45,3.33,5,0.347,0.57,1.0,0.5456959769721061,0.45561476252484406,0.22016140086354602,0.24012233568638203,0.36539861901171955
EOS-3-45530,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccnc(F)c5)n4)n23)cc1,HOVKWZSRKSQDMB-UHFFFAOYSA-N,3,1,0.511,1,92,412.428,4.275,5,0.401,0.77,1.0,0.7929888287300391,0.772308272222603,0.7301761359742307,0.6747224316359399,0.7425489171407031
EOS-3-45531,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(F)c2)s1,ACUHDPZKRIKBAW-UHFFFAOYSA-N,3,1,0.576,37,832,467.917,4.427,5,0.365,0.64,1.0,0.8626207936399151,0.867366869988349,0.4821379617572476,0.5381485162086218,0.6875685353985334
EOS-3-45532,Fc1ccc(-c2ncc(Cl)nn2)cc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,YNIGUZHPVVUXIS-UHFFFAOYSA-N,3,1,0.494,37,482,484.282,3.501,5,0.357,0.7,1.0,0.8975824138167363,0.9288945240216572,0.3779555890617504,0.5114968131039682,0.6789823350010281
EOS-3-45533,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccns6)cn5)n34)cn2)cc1,ZMJXYIVDYLNWHY-UHFFFAOYSA-N,3,1,0.343,32,20,433.5,5.039,6,0.387,0.72,1.0,0.10784901651703105,0.13056850113083407,0.5270886162703036,0.5708227674593928,0.33408222534439036
EOS-3-45534,CCc1ncncc1-c1nc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)ccc1F,HTFQFPLUYUDMEA-UHFFFAOYSA-N,3,1,0.442,7,434,463.864,3.367,5,0.349,0.59,0.994,0.637893221849085,0.7279401685970804,0.2817490233705709,0.2906157905558221,0.4845495510931396
EOS-3-45535,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nc2)n1,PRCASSBYXXZCLB-UHFFFAOYSA-N,3,1,0.375,22,649,407.8,2.836,5,0.453,0.77,1.0,0.2853471317935714,0.44231032828455896,0.4072459050099376,0.5350387225001714,0.41748552189705984
EOS-3-45536,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cc(OC)nc(C)n5)c4)n23)cc1Cl,ULKJYSPMDWCRND-UHFFFAOYSA-N,3,1,0.33,62,648,485.935,4.245,5,0.396,0.75,1.0,0.5279538756767871,0.41560722363100544,0.5028013844150504,0.39209958193406896,0.45961551641422793
EOS-3-45537,Fc1ccccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)o1,ZPFXFIAORMXTOH-UHFFFAOYSA-N,3,1,0.368,93,641,440.463,5.376,6,0.366,0.77,1.0,0.31207593722157495,0.46871359056952916,0.6444469193338359,0.7275460900555136,0.5381956342951134
EOS-3-45538,Clc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncs6)cn5)n34)nc2)n1,SAKPWFTUPASZMI-UHFFFAOYSA-N,3,1,0.291,94,957,469.921,4.482,6,0.348,0.66,1.0,0.14329895140840243,0.2586697279144678,0.3363888698512782,0.42344595983825645,0.2904508772531012
EOS-3-45539,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1ncc(CO)cn1,LWJISKXYHXNRJB-UHFFFAOYSA-N,3,1,0.433,46,717,474.912,3.325,5,0.378,0.63,0.197,0.5021331642793503,0.5413097114659722,0.23096429305736413,0.23423685833733124,0.37716100678500447
EOS-3-45540,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)c1F,YVPGESLDNXAHEA-UHFFFAOYSA-N,3,1,0.53,59,679,466.398,5.043,5,0.326,0.78,1.0,0.9715749434582962,0.9634963333561785,0.9708296209992461,0.9620485230621616,0.9669873552189705
EOS-3-45541,Fc1cc(-c2ncns2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,YSIRBRRRSGDEQG-UHFFFAOYSA-N,3,1,0.5,37,639,453.89,4.119,5,0.357,0.63,1.0,0.7818518264683709,0.8211568775272429,0.509800561990268,0.5770509218011103,0.672465046946748
EOS-3-45542,COc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCc3ccnc(C(F)(F)F)n3)n12,SERFSRCIEKNWRO-UHFFFAOYSA-N,3,1,0.462,27,710,480.41,3.645,5,0.359,0.67,1.0,0.6095195668562813,0.6411229525049689,0.6693766705503392,0.41708073469947227,0.5842749811527654
EOS-3-45543,CC(C)(O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccsc5)n4)n23)cn1,TXHZZKRSKRGFMR-UHFFFAOYSA-N,3,1,0.35,82,514,414.494,4.204,5,0.474,0.63,1.0,0.21512404907134536,0.17698409978754026,0.5994362963470633,0.4203790007538894,0.3529808614899596
EOS-3-45544,CCOc1ccc(Cl)cc1-c1nnc2cncc(-c3cncc(-c4cccc(C#N)c4)n3)n12,KJBNVOABCUNISM-UHFFFAOYSA-N,3,1,0.391,96,837,453.893,4.839,5,0.375,0.63,1.0,0.38546021520115137,0.4910047289424988,0.7950620245356727,0.8058649167294908,0.6193479713522034
EOS-3-45545,Cc1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)n(C)c4=O)n23)cc(C)n1,FPWBZUINAJKRRU-UHFFFAOYSA-N,3,1,0.349,68,455,415.379,2.506,4,0.511,0.53,0.977,0.31464601466657527,0.29499348913713935,0.5028099513398671,0.34379069289287917,0.3640600370091152
EOS-3-45546,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)n4)n23)c1F,MPGHPCNGVWZMBC-UHFFFAOYSA-N,3,1,0.453,49,501,445.433,3.851,5,0.367,0.56,1.0,0.8170618874648756,0.7051093139606607,0.5834247138647112,0.5416695223082723,0.66181635939963
EOS-3-45547,Oc1cnccc1CCOc1cncc2nnc(-c3cc(-c4cncs4)ncn3)n12,XHPAFGRBQVCMSE-UHFFFAOYSA-N,3,1,0.432,18,194,418.442,2.427,5,0.442,0.61,0.999,0.2826571174011377,0.16041566719210473,0.14734253992186966,0.12084504146391611,0.17781509149475705
EOS-3-45548,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccn5)c4)n23)c(F)c1,CORQDQGOEYEVTH-UHFFFAOYSA-N,3,1,0.478,77,177,478.491,4.367,6,0.351,0.71,1.0,0.719878692344596,0.6179922554999657,0.6205623329449661,0.6015180590775135,0.6399878349667603
EOS-3-45549,Fc1cc(-c2nnco2)cc(F)c1Oc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,APQXBXHHRXCBKZ-UHFFFAOYSA-N,3,1,0.459,34,145,461.215,5.219,5,0.363,0.7,1.0,0.834898224933178,0.9351055445137414,0.9427215406757591,0.9591357686244946,0.9179652696867933
EOS-3-45550,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)cnn2)c(F)cn1,XVCOEPRQFJBVOU-UHFFFAOYSA-N,3,1,0.424,55,875,424.396,2.957,5,0.397,0.59,1.0,0.5669933520663423,0.5551281611952573,0.48568466863134807,0.5013792748954835,0.5272963641971078
EOS-3-45551,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnn5)c(F)cn4)n23)cc1C(F)F,MZUJXCWERQSHME-UHFFFAOYSA-N,3,1,0.474,27,51,464.411,4.002,5,0.371,0.57,1.0,0.6863734493866082,0.7465646631485162,0.8836183263655678,0.8225275854979097,0.7847710060996504
EOS-3-45552,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cnc4F)n23)c(F)n1,DUEGQCSBIHMGLC-UHFFFAOYSA-N,3,1,0.478,58,271,453.388,2.416,5,0.361,0.52,0.999,0.6954458227674594,0.6560722363100542,0.362697895963265,0.3761137002261668,0.5225824138167363
EOS-3-45553,COc1ncc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1cncc(C)n1,IMQFARVTVBXILR-UHFFFAOYSA-N,3,1,0.465,65,657,458.457,3.116,5,0.339,0.59,1.0,0.695454389692276,0.5603368514837914,0.34366218902062917,0.22861695565759715,0.45701759646357343
EOS-3-45554,FC(F)c1ccc(-c2ncncc2-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cn1,YBWHRSIZTJNXPN-UHFFFAOYSA-N,3,1,0.5,27,430,466.839,4.208,5,0.343,0.64,0.987,0.7760348845178535,0.7279487355218971,0.8157168802686587,0.7716314851620862,0.7728329963676238
EOS-3-45555,CCn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccn1,NOULVOPEFLAHJP-UHFFFAOYSA-N,3,1,0.456,75,565,432.875,3.697,5,0.377,0.55,1.0,0.472328832842163,0.4556233294496608,0.34762867521074636,0.337451168528545,0.4032580015077788
EOS-3-45556,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5sncc5Cl)n34)c2)cs1,ORKDMEVYBNPHPQ-UHFFFAOYSA-N,3,1,0.518,16,666,440.941,4.912,5,0.386,0.72,1.0,0.5021417312041669,0.5603454184086081,0.3329792337742444,0.3856229867726681,0.4452723425399219
EOS-3-45557,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(C)n5)n(C)n4)n23)cc1,AQKIZQVTNQUFDQ-UHFFFAOYSA-N,3,1,0.537,89,268,411.469,3.783,5,0.438,0.77,1.0,0.3602306216160647,0.22832568021383046,0.3069786169556576,0.22254300596257967,0.2795194811870331
EOS-3-45559,c1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6conn6)cn5)n34)cn2)n[nH]1,GVXBGFCVNAFTAZ-UHFFFAOYSA-N,3,1,0.386,80,584,440.387,1.39,6,0.395,0.49,1.0,0.3646254540470153,0.29991947090672333,0.051667123569323556,0.04159241998492221,0.1894511171269961
EOS-3-45560,COc1nc(C)nc(-c2cccc(-c3cncc4nnc(-c5ccc(C(C)(C)F)nc5)n34)n2)n1,KAAXHGLAPIZMDW-UHFFFAOYSA-N,3,1,0.33,50,974,457.473,3.622,5,0.39,0.53,0.85,0.5071362483722843,0.4289973271194572,0.2165204578164622,0.07636556781577684,0.3072549002809951
EOS-3-45561,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)nc1,AQARQZVAFXKAGX-UHFFFAOYSA-N,3,1,0.506,2,491,453.89,4.119,5,0.382,0.57,1.0,0.7985658967856898,0.7723168391474197,0.5098091289150847,0.5643290384483586,0.6612552258241382
EOS-3-45562,Cc1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)c2)n(C)n1,NYFYIPFTJQBEBO-UHFFFAOYSA-N,3,1,0.457,36,534,466.427,3.946,5,0.374,0.58,1.0,0.5197724624768693,0.7001918991158934,0.7998081008841066,0.7169830717565623,0.6841888835583579
EOS-3-45563,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cnn(CCO)c1,FLVYRPKDYAYPLC-UHFFFAOYSA-N,3,1,0.457,16,375,449.496,2.691,5,0.385,0.57,1.0,0.2719827290795696,0.14891885408813652,0.2487749297512165,0.15055513672812007,0.20505791241176066
EOS-3-45564,CCc1ncc(Cc2cncc3nnc(-c4ccc(-c5nnc(C)n5C)nc4)n23)cn1,MWEJDMQEOKNVRS-UHFFFAOYSA-N,3,1,0.309,85,976,412.461,2.233,5,0.432,0.68,0.997,0.06012267836337468,0.045361866904256046,0.01153964772805154,0.006536563635117538,0.030890189157699952
EOS-3-45565,Cc1cn(C)c(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2C)n1,YAANSRBOBHNDLE-UHFFFAOYSA-N,3,1,0.402,13,251,449.877,4.788,5,0.392,0.66,0.996,0.5379172092385717,0.555136728120074,0.5372147214036049,0.5381570831334385,0.5421064354739222
EOS-3-45566,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c(Cl)n1,GEBIDXKQKZXPSI-UHFFFAOYSA-N,3,1,0.517,20,846,465.304,3.967,5,0.371,0.55,1.0,0.8775101089712837,0.9217325748749229,0.3889897882256185,0.5013878418203002,0.6724050784730313
EOS-3-45567,Clc1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(Cl)nc5)c4)n23)cc1,LBWYMAOLKGMKLH-UHFFFAOYSA-N,3,1,0.443,96,46,420.263,4.617,5,0.397,0.63,1.0,0.30424576793914054,0.5603539853334247,0.8387276403262285,0.9107069426358714,0.6535085840586663
EOS-3-45568,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(Cl)c5)n34)nc2)nn1,ARQMXTPCODDNRA-UHFFFAOYSA-N,3,1,0.314,64,449,477.919,4.729,6,0.358,0.7,0.999,0.17895449249537387,0.2638955520526352,0.3889983551504352,0.4826519772462477,0.328625094236173
EOS-3-45569,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)c1,VIEQGMZSISJUMJ-UHFFFAOYSA-N,3,1,0.568,15,438,466.332,4.515,5,0.343,0.64,1.0,0.752912754437667,0.6365739154273182,0.7224487697895964,0.7434720032896991,0.7138518607360702
EOS-3-45570,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cc(Cl)n2)s1,NIADEXNFYAGZHP-UHFFFAOYSA-N,3,1,0.374,33,760,479.913,2.74,5,0.363,0.63,0.774,0.43920910150092524,0.3536083887327805,0.0780275512302104,0.07043725584264272,0.23532057432663972
EOS-3-45571,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)cn5)n34)ncn2)n1,NJXHTHYPEMZEKL-UHFFFAOYSA-N,3,1,0.385,7,726,415.392,2.46,5,0.427,0.57,0.742,0.4672143787266123,0.3870964978411349,0.21320505791241176,0.17436262079363993,0.31046963881844974
EOS-3-45572,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,UEWBIAUHEBUWKD-UHFFFAOYSA-N,3,1,0.524,65,858,410.441,2.968,5,0.421,0.74,1.0,0.6040795695976973,0.4109039819066548,0.31439757384689193,0.24013090261119868,0.3923780069906106
EOS-3-45573,Cc1cccc(-c2ccnnc2COc2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)n1,OBTFNLHSJSTEMV-UHFFFAOYSA-N,3,1,0.453,40,609,475.516,3.931,6,0.356,0.61,1.0,0.3740405044205332,0.2437461448838325,0.292474813241039,0.22521588650538002,0.2838693372626962
EOS-3-45574,COc1cc(-c2nnc3cncc(OCc4sc(Cl)cc4F)n23)ccc1-c1cnnn1C,BKFLRWLZVHOOIM-UHFFFAOYSA-N,3,1,0.441,36,940,471.905,4.028,5,0.369,0.64,1.0,0.47744328695771365,0.6033256802138305,0.5604310876567747,0.5013964087451168,0.535649115893359
EOS-3-45575,c1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cscn6)cn5)n34)s2)nc1,VXMJYXQDGYKIRJ-UHFFFAOYSA-N,3,1,0.436,6,414,471.531,3.802,6,0.357,0.65,1.0,0.3439877321636625,0.39173120416695223,0.07144815297100952,0.07248475087382633,0.21991296004386263
EOS-3-45576,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5sncc5C)n34)ncn2)s1,JZTRQOASPYDPJK-UHFFFAOYSA-N,3,1,0.453,7,113,422.499,3.357,5,0.425,0.56,0.894,0.2665598656706189,0.19410938249605922,0.03730895757658831,0.02581214447262011,0.13094758755397162
EOS-3-45577,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)cc1,ZPIGLPNNFVNDRU-UHFFFAOYSA-N,3,1,0.473,0,646,403.873,3.928,5,0.548,0.9,1.0,0.3464721403604962,0.3682663970940991,0.4435782331574258,0.5985967377150299,0.4392283770817627
EOS-3-45578,Fc1cccnc1-c1cc(COc2cncc3nnc(-c4cncc(Br)c4)n23)ncn1,GXUDCWZNKVPOGX-UHFFFAOYSA-N,3,1,0.484,73,354,479.273,3.519,5,0.377,0.63,1.0,0.606898087862381,0.6222842848331163,0.4578164622027277,0.4737509423617298,0.5401874443149887
EOS-3-45579,Clc1ccc(-n2cnc(-c3cncc4nnc(-c5scnc5-c5ccccn5)n34)n2)nn1,AIBFZPZFZFEJOR-UHFFFAOYSA-N,3,1,0.279,10,871,459.886,3.001,6,0.391,0.51,0.884,0.018247549859502433,0.06432903844835858,0.03084092934000411,0.07992940853951065,0.04833673154684394
EOS-3-45580,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)c(F)c1,XWLUVGNZYUIZIG-UHFFFAOYSA-N,3,1,0.463,6,868,479.479,3.762,6,0.355,0.68,1.0,0.572570420121993,0.5646631485162086,0.5896785689808787,0.5115053800287849,0.5596043794119663
EOS-3-45581,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)c(F)cc1-c1ccsc1,QMEWHDCAKOPRHO-UHFFFAOYSA-N,3,1,0.477,20,658,448.483,4.079,5,0.371,0.56,1.0,0.7166660955383456,0.6803937358645741,0.5541515317661572,0.4706497155780961,0.6054652696867933
EOS-3-45582,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)cc(Cl)n2)s1,AIMLREQLWCRJOP-UHFFFAOYSA-N,3,1,0.489,65,661,455.956,4.35,5,0.351,0.62,1.0,0.6408402439860188,0.732771914193681,0.17916009869097388,0.2111232951819615,0.4409738880131588
EOS-3-45583,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)o1,PWUINRUTWZJUKP-UHFFFAOYSA-N,3,1,0.522,2,419,451.849,3.959,5,0.357,0.6,1.0,0.7760434514426702,0.690168597080392,0.6291121239120006,0.5865430744979782,0.6704668117332602
EOS-3-45584,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4C)n23)cc1,AKTXQLSMIPLDNJ-UHFFFAOYSA-N,3,1,0.659,48,378,405.433,3.22,4,0.533,0.83,1.0,0.8349067918579947,0.4423188952093756,0.6261394010006168,0.46134603522719486,0.5911777808237955
EOS-3-45585,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)nc1C,JICOIVQQTUMMAM-UHFFFAOYSA-N,3,1,0.381,13,971,449.877,4.963,5,0.377,0.67,0.999,0.507144815297101,0.5895157974093619,0.6501867589610033,0.6430590775135357,0.5974766122952505
EOS-3-45586,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(Cl)cnn5)cn4)n23)nc1,SWVPSPQBYCSKRD-UHFFFAOYSA-N,3,1,0.472,46,128,451.277,3.924,5,0.396,0.48,1.0,0.49706154478788295,0.7051178808854773,0.567387430607909,0.6601929271468714,0.6074399458570352
EOS-3-45587,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5cn(C)nn5)n4)n23)ccn1,QBJKRMKRAOLEPK-UHFFFAOYSA-N,3,1,0.426,6,597,479.508,2.839,6,0.34,0.66,1.0,0.10563874991433075,0.11103591254883147,0.1017922006716469,0.06694195051744226,0.09635220341306283
EOS-3-45588,N#Cc1cncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)c1,FTEDYNARGMOHED-UHFFFAOYSA-N,3,1,0.518,97,91,457.856,4.491,5,0.358,0.64,1.0,0.9278664930436571,0.9554862586525941,0.9384380782674251,0.9394404084709752,0.9403078096086629
EOS-3-45589,Cc1ncccc1-c1cccc(-c2nnc3cncc(Cc4cccc(Cl)c4F)n23)c1,LJSJGOCISJGNHH-UHFFFAOYSA-N,3,1,0.378,14,358,429.886,5.545,5,0.376,0.77,1.0,0.402876773353437,0.4863957233911315,0.929776917277774,0.9369045987252416,0.6889885031868961
EOS-3-45590,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)c2)cn1,QWFGSESGZXJLFM-UHFFFAOYSA-N,3,1,0.494,59,521,464.863,5.067,5,0.338,0.73,1.0,0.8922537865807689,0.8944383524090193,0.922863408950723,0.912831539990405,0.905596771982729
EOS-3-45591,CCn1cncc1-c1cccc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)c1,UQAUJOJGCDXYMU-UHFFFAOYSA-N,3,1,0.583,13,15,416.872,5.12,5,0.397,0.78,1.0,0.5252295935850867,0.6316050990336509,0.7301847028990474,0.7513535741210335,0.6595932424097046
EOS-3-45592,Clc1ccc(-c2nnc3cncc(OCc4csc(-c5ccccn5)n4)n23)c(Cl)c1,JMIUFMLTMCCUNO-UHFFFAOYSA-N,3,1,0.593,24,268,455.33,5.196,5,0.363,0.81,1.0,0.5670019189911589,0.8494705640463299,0.5834332807895278,0.7089986978274279,0.6772261154136112
EOS-3-45593,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)c(Cl)c1,SURHCISHGLCWIN-UHFFFAOYSA-N,3,1,0.455,44,488,439.863,4.076,5,0.407,0.55,0.982,0.5837588239325612,0.6131005414296484,0.5961380302926461,0.6836748680693578,0.6191680659310534
EOS-3-45594,OCc1ccc(-c2nnc3cncc(OCc4cc(C5CCCO5)ccc4Cl)n23)cc1F,DTQRHQUABWLRGP-UHFFFAOYSA-N,3,1,0.484,48,378,454.889,4.507,5,0.461,0.53,0.972,0.938052566650675,0.8645911863477486,0.9132084846823384,0.9215698033034062,0.9093555102460421
EOS-3-45595,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)s5)n34)cc(Cl)n2)nn1,BNZJHDYSVNFBHP-UHFFFAOYSA-N,3,1,0.494,4,964,453.89,4.385,5,0.364,0.6,0.995,0.6587965184017545,0.7002004660407101,0.5202522102666027,0.535047289424988,0.6035741210335138
EOS-3-45596,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1,UYWURNQVNCSETJ-UHFFFAOYSA-N,3,1,0.388,61,917,406.812,3.441,5,0.456,0.84,1.0,0.3244894112809266,0.477666027002947,0.6114728257144816,0.7383918168734152,0.5380050202179426
EOS-3-45597,Cc1cc2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c(F)cc2c(C)n1,LIEDDEYLTKNLIT-UHFFFAOYSA-N,3,1,0.423,63,205,483.507,3.962,6,0.39,0.71,1.0,0.4944829004180659,0.40154890000685356,0.3034404770063738,0.2965526694537729,0.37400623672126654
EOS-3-45598,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5ncc(F)cc5F)s4)n23)c(F)c1,OIEQYESFWTYKDO-UHFFFAOYSA-N,3,1,0.511,34,10,458.4,4.445,5,0.362,0.67,1.0,0.7198872592694127,0.8587228428483311,0.8264940716880269,0.8664502090329655,0.8178885957096841
EOS-3-45599,Fc1ccc(-c2nnc3cncc(-c4cc(F)ncc4Oc4cncc(Cl)c4)n23)c(F)c1,FPYBVSFITZLYHR-UHFFFAOYSA-N,3,1,0.354,45,575,454.799,5.111,5,0.351,0.72,1.0,0.6291806593105339,0.8289270783359606,0.9639161126721952,0.9722602974436296,0.8485710369405799
EOS-3-45600,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)cn2)nc(C)n1,QXLDADTWHGXHTK-UHFFFAOYSA-N,3,1,0.322,94,515,475.491,4.523,6,0.366,0.65,0.998,0.280069906106504,0.3489565485573299,0.4435868000822425,0.442361729833459,0.3787437461448838
EOS-3-45601,COc1nc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)ccc1-c1c[nH]cn1,HVDOBELJNLIMBN-UHFFFAOYSA-N,3,1,0.412,27,52,469.387,2.973,5,0.399,0.53,1.0,0.5096377904187512,0.49101329586731546,0.6587793845521211,0.4170893016242889,0.5191299431156192
EOS-3-45602,Cc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCc3ccns3)n12,RKVAPKYFHLECJW-UHFFFAOYSA-N,3,1,0.483,55,775,436.888,3.641,5,0.411,0.54,1.0,0.6095281337810979,0.6131091083544651,0.13862997738331848,0.16630971146597218,0.38189423274621337
EOS-3-45603,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5F)n34)cnn2)c1,JCISUEMZJCEULW-UHFFFAOYSA-N,3,1,0.5,34,146,450.836,4.759,5,0.384,0.6,1.0,0.8420944417791789,0.912240422178055,0.9370416695223083,0.9533787951476937,0.911188832156809
EOS-3-45604,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)c(Cl)c4)n23)nn1,FQVLFAUUVDMQRG-UHFFFAOYSA-N,3,1,0.511,37,132,466.839,3.591,5,0.35,0.57,1.0,0.8851089712836681,0.9334606949489411,0.6693852374751559,0.7032417243506272,0.797799157014598
EOS-3-45606,Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c1-c1ccc(F)cc1,ZTNWPQGPTBUMGG-UHFFFAOYSA-N,3,1,0.387,69,625,436.45,5.258,6,0.377,0.7,1.0,0.17065314234802276,0.2897847988486053,0.8018041943663903,0.8225361524227264,0.5211945719964362
EOS-3-45607,CC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cn4)n23)cc1,RTPOAKWXABOVRM-UHFFFAOYSA-N,3,1,0.37,96,680,428.402,4.396,5,0.312,0.73,1.0,0.31958056336097596,0.40612363785895417,0.8482968953464465,0.787985744637105,0.5904967103008705
EOS-3-45608,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccsc1,ISKSTAWPSSTWNO-UHFFFAOYSA-N,3,1,0.553,35,103,447.495,4.684,5,0.337,0.65,1.0,0.9039476389555205,0.8173274621341923,0.7548660132958673,0.6544616544445206,0.7826506922075253
EOS-3-45609,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc2F)o1,AYQNLFVZNVMQKI-UHFFFAOYSA-N,3,1,0.643,4,996,469.383,3.864,5,0.35,0.61,1.0,0.7929973956548557,0.8989788225618532,0.6616407374408882,0.6015266260023302,0.7387858954149819
EOS-3-45610,c1ccc(-c2csc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)cc1,IJUKHFUDUHQLPU-UHFFFAOYSA-N,3,1,0.5,28,363,463.526,4.951,6,0.345,0.77,1.0,0.39213384963333564,0.4644129943115619,0.3925193612500857,0.40119765608937014,0.41256596532108836
EOS-3-45611,Cc1nn(C)cc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)n1,KRPHCDDZDCUGBZ-UHFFFAOYSA-N,3,1,0.364,80,816,479.508,2.665,6,0.354,0.65,1.0,0.28535569871838806,0.17257213350695635,0.06326673977109176,0.032477211979987666,0.13841794599410595
EOS-3-45612,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc(C)n2)nn1,ZRSIKHDAIQVPTH-UHFFFAOYSA-N,3,1,0.489,58,241,458.913,3.93,5,0.352,0.6,1.0,0.6742341169213899,0.7187821259680625,0.36270646288808167,0.33422143787266123,0.5224860359125488
EOS-3-45613,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)c(Cl)c1,RTVLGNIKZRGZOE-UHFFFAOYSA-N,3,1,0.545,37,79,467.32,3.91,5,0.35,0.61,1.0,0.5807604002467275,0.6706360084983894,0.5507675964635734,0.6402319923240354,0.6105989993831815
EOS-3-45614,C#Cc1cccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccns6)cn5)n34)cn2)n1,BLEPNNIOKVPRPE-UHFFFAOYSA-N,3,1,0.273,94,392,459.498,3.81,6,0.366,0.63,1.0,0.11035055856349804,0.11385443081351518,0.2924833801658557,0.29062435748063875,0.2018281817558769
EOS-3-45615,OCc1ncc(-c2cnnc(COc3cncc4nnc(-c5ccccc5)n34)c2)cn1,HNHMYYLLPXUOEY-UHFFFAOYSA-N,3,1,0.5,4,534,412.413,2.11,5,0.446,0.67,1.0,0.4997001576314166,0.38710506476595163,0.2345367007059146,0.2021280241244603,0.3308674868069358
EOS-3-45616,Cc1nc(-c2ncc(F)cn2)cc(-c2nnc3cncc(C(F)(F)c4c(F)cccc4F)n23)n1,UCBVUMWHWDZHAG-UHFFFAOYSA-N,3,1,0.351,73,665,470.365,3.904,5,0.368,0.57,0.913,0.3244979782057433,0.41091254883147144,0.9280206976903571,0.8965029812898362,0.6399835515043519
EOS-3-45617,CCn1nncc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4F)n23)cc1,CZFRXUKJFRSTSU-UHFFFAOYSA-N,3,1,0.247,64,495,464.468,3.728,6,0.355,0.57,0.999,0.12117058460694949,0.13769618257830168,0.20254780344047701,0.26712528270851893,0.18213496333356177
EOS-3-45618,Cc1cnc(CCOc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)cn1,XXLWVBLYDFYARH-UHFFFAOYSA-N,3,1,0.446,65,822,411.429,2.363,5,0.415,0.68,1.0,0.5303611815502707,0.3586114728257145,0.13240182304160097,0.10476492358303063,0.2815348502501542
EOS-3-45619,Clc1cccc(-c2cc(-c3nnc4cncc(COc5ccccc5)n34)cnc2Cl)n1,YVQWZKFIZGICQA-UHFFFAOYSA-N,3,1,0.376,14,18,449.301,5.134,5,0.346,0.75,1.0,0.48468233842779795,0.6083030635323144,0.7826057158522377,0.847971352203413,0.6808906175039408
EOS-3-45620,c1ncc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnsc6)cc5)n34)n2)s1,XLRWDIJUIVEFRY-UHFFFAOYSA-N,3,1,0.319,42,725,441.505,3.89,6,0.405,0.54,0.999,0.06935782331574258,0.16437358645740524,0.18887499143307518,0.25493454869440063,0.1693852374751559
EOS-3-45621,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c1,AVVCQJRQPSKBDA-UHFFFAOYSA-N,3,1,0.522,26,125,467.867,4.14,5,0.349,0.61,1.0,0.6954629566170927,0.6852597491604414,0.8501216503323967,0.8406894661092454,0.7678834555547942
EOS-3-45622,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,HOAHPFPTGUGLLY-UHFFFAOYSA-N,3,1,0.506,65,905,412.457,3.086,5,0.405,0.69,1.0,0.3392416558152286,0.1489274210129532,0.3034490439311905,0.2286255225824138,0.2550609108354465
EOS-3-45623,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,XPJNEYBZMDCGIM-UHFFFAOYSA-N,3,1,0.389,65,658,412.417,1.758,5,0.406,0.63,1.0,0.4821722294565143,0.32497772599547664,0.03731752450140498,0.03146631485162086,0.21898344870125422
EOS-3-45624,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)ccn4)n23)cnc1Cl,ALSPCMGBUBLVNS-UHFFFAOYSA-N,3,1,0.402,46,88,469.267,4.063,5,0.355,0.6,1.0,0.6621376190802549,0.6033342471386471,0.7329261188403811,0.7789819066547872,0.6943449729285176
EOS-3-45625,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3cncc(Cl)n3)n12,OHEUGLFQTRNEIT-UHFFFAOYSA-N,3,1,0.429,20,456,463.889,2.66,5,0.359,0.56,0.719,0.4846909053526146,0.42454252621478994,0.11538791035569872,0.09254848879446234,0.27929245767939137
EOS-3-45626,c1cncc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)c1,QMZWCGNUOMQFOT-UHFFFAOYSA-N,3,1,0.319,69,57,422.473,5.237,6,0.387,0.76,1.0,0.16794599410595573,0.18959461311767528,0.5405900897813721,0.5770594887259269,0.36879754643273255
EOS-3-45627,Cc1ccncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1F,YJCXUARAYGIAQG-UHFFFAOYSA-N,3,1,0.529,11,490,460.9,4.971,5,0.356,0.67,0.999,0.9380611335754917,0.947082105407443,0.8402268521691454,0.8443561099307793,0.8924315502707147
EOS-3-45628,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnn(C)c6C)cs5)n34)cn2)cn1,FWXCCWYIBHHYKJ-UHFFFAOYSA-N,3,1,0.317,86,968,465.546,4.389,6,0.381,0.62,1.0,0.035064423274621344,0.08878760879994517,0.2416386813789322,0.17696696593790692,0.13561441984785141
EOS-3-45629,CC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(F)c5)cn4)n23)cn1,DUQCHHKVVHDENB-UHFFFAOYSA-N,3,1,0.512,27,744,463.423,4.473,5,0.343,0.66,1.0,0.6680659310533891,0.8556216160646974,0.9357566307998081,0.8463265026386129,0.8264426701391269
EOS-3-45630,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cscn5)n4)n23)cc1,CXFIQBCEFBFGIC-UHFFFAOYSA-N,3,1,0.457,40,8,467.518,3.684,6,0.365,0.57,1.0,0.4774518538825303,0.30999417449112465,0.2201699677883627,0.17998252347337398,0.29689962990884794
EOS-3-45631,CCn1nc(C)cc1-c1ccc(Oc2cncc3nnc(-c4cnc(C(C)(C)O)cn4)n23)nc1,ZEROLQQVCCFJOC-UHFFFAOYSA-N,3,1,0.32,31,986,457.498,3.188,5,0.408,0.57,0.999,0.20710540744294428,0.127373038174217,0.16942807209923927,0.046706874100472896,0.13765334795421838
EOS-3-45632,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(Oc3ccc(Cl)cc3)n12,UDIBVCYJYWLUQR-UHFFFAOYSA-N,3,1,0.587,57,913,417.831,5.438,5,0.389,0.84,1.0,0.8514323898293469,0.9180487972037558,0.9405112740730588,0.9573281474881776,0.9168301521485848
EOS-3-45633,Cc1cnc(-c2ncc(Cc3cncc4nnc(-c5cnc(C(F)(F)F)cn5)n34)cc2F)nn1,CWBGSIUKZSFVKA-UHFFFAOYSA-N,3,1,0.295,85,362,468.378,2.885,5,0.367,0.54,1.0,0.33218250976629426,0.3682749640189158,0.6025717908299637,0.494894112809266,0.4494808443561099
EOS-3-45634,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc(F)n2)cn1,OXIQYOUGCZQBKX-UHFFFAOYSA-N,3,1,0.436,27,69,464.411,4.002,5,0.347,0.62,1.0,0.8490936193543965,0.8392330888904119,0.777979576451237,0.6544702213693373,0.7801941265163458
EOS-3-45635,Cc1ncoc1-c1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(F)c1,BLONTTUDSSFGQV-UHFFFAOYSA-N,3,1,0.388,89,344,485.479,3.76,6,0.37,0.8,1.0,0.4007950106229868,0.27923034747447056,0.2779881433760537,0.269729627852786,0.30693578233157426
EOS-3-45636,N=c1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2F)c[nH]1,ZFRCERBEFIMHQM-UHFFFAOYSA-N,3,1,0.381,13,251,452.812,3.78,5,0.401,0.61,1.0,0.5483260228908231,0.6411315194297855,0.7929459941059557,0.8037146186005072,0.6965295387567678
EOS-3-45637,Cc1cc(Cl)cnc1CCOc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,DKBLZUNHINWGEI-UHFFFAOYSA-N,3,1,0.523,75,583,449.927,4.288,5,0.382,0.61,0.999,0.7498886299773834,0.705126447810294,0.24878349667603317,0.2757864436981701,0.49489625454047015
EOS-3-45638,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)ncn2)c1,VBARGEXYSABSEI-UHFFFAOYSA-N,3,1,0.479,44,130,465.851,4.196,5,0.347,0.61,0.997,0.827779110410527,0.8094630251524912,0.8035861147282571,0.8386848057021452,0.8198782639983552
EOS-3-45639,Fc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)sc1F,LCHHHNXBEKMJQV-UHFFFAOYSA-N,3,1,0.402,46,915,456.865,4.82,5,0.377,0.67,1.0,0.8277876773353438,0.8094715920773079,0.8622952504968816,0.8741947090672332,0.8434373072441915
EOS-3-45640,CCn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)nn5)nn4)n23)nc1,FCIRKPCDMDYQQA-UHFFFAOYSA-N,3,1,0.259,99,813,454.433,2.246,6,0.385,0.5,0.944,0.005174422589267357,0.06787574532245905,0.07145671989582619,0.09066376533479542,0.05879266328558701
EOS-3-45641,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn[nH]c6)cc5)n34)cc2)cs1,ATNCJZLOPBDSGI-UHFFFAOYSA-N,3,1,0.301,69,898,421.489,4.972,6,0.434,0.67,1.0,0.1267562195874169,0.18542252073195806,0.7171287094784456,0.7249160441367967,0.4385558734836543
EOS-3-45642,Cc1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)cc(-c2cncs2)n1,YVWNKJGLSDRMGK-UHFFFAOYSA-N,3,1,0.448,92,662,418.486,3.239,5,0.432,0.58,1.0,0.21799396888492906,0.17699266671235694,0.1097251730518813,0.060619560002741414,0.14133284216297717
EOS-3-45643,Cc1nc(-c2cc(CF)ncc2F)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,JZPLBPQJJFHDMT-UHFFFAOYSA-N,3,1,0.593,11,684,458.472,4.787,5,0.349,0.66,0.998,0.8690802549516825,0.8173360290590089,0.6667294907819888,0.6254197793160168,0.7446413885271743
EOS-3-45644,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)nc4)n23)cc1,FDWKFZATTOLMKP-UHFFFAOYSA-N,3,1,0.387,62,376,474.568,5.455,6,0.346,0.85,1.0,0.043871221986155846,0.013707079706668495,0.01697107806181893,0.11854053868823247,0.048272479610718934
EOS-3-45645,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccn(C)n5)c(F)n4)n23)c1F,NBXVDZQOSQQTQO-UHFFFAOYSA-N,3,1,0.429,31,773,448.437,3.19,5,0.368,0.56,1.0,0.49209272839421564,0.44232746213419233,0.4647128366801453,0.38563155369748475,0.4461911452265095
EOS-3-45646,Cc1cc(-c2nccn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4(C)CCC4)cc3)n12,SDFMHXSMTSHDFV-UHFFFAOYSA-N,3,1,0.314,52,269,477.572,4.84,6,0.391,0.79,1.0,0.18767562195874168,0.0319888972654376,0.12649921184291688,0.1769755328627236,0.13078481598245495
EOS-3-45647,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)c(Cl)n1,FAZCGSQHOHKLOO-UHFFFAOYSA-N,3,1,0.468,31,908,465.88,3.274,5,0.337,0.61,1.0,0.5379257761633884,0.5551452950448907,0.21652902474127886,0.2906329244054554,0.40005825508875337
EOS-3-45648,CC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(C#N)c4)n23)c(F)c1,LWUQBDTVDKFAPD-UHFFFAOYSA-N,3,1,0.364,23,129,413.79,5.234,4,0.461,0.79,1.0,0.5145723391131519,0.8392416558152286,0.9988348982249332,0.9992632444657665,0.83797803440477
EOS-3-45649,COn1ncc(C)c1-c1csc(COc2cncc3nnc(-c4ccc(C#N)cn4)n23)c1,DKCBOIWKMJFASQ-UHFFFAOYSA-N,3,1,0.392,33,760,444.48,2.929,5,0.392,0.58,0.863,0.36703275992049894,0.295002056061956,0.27009800561990266,0.18818963744774175,0.2800806147625249
EOS-3-45650,CC(C)(O)c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccncc4)n23)c1,XMWXIVCXKNAMFI-UHFFFAOYSA-N,3,1,0.298,64,961,409.453,3.538,5,0.484,0.76,1.0,0.2263124528819135,0.09797135220341306,0.6721009526420396,0.5480090466726064,0.38609845109999313
EOS-3-45651,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cnn2)s1,LEOSARAEJIFIBY-UHFFFAOYSA-N,3,1,0.5,71,49,483.521,2.783,6,0.348,0.74,1.0,0.3831985470495511,0.21795113426084572,0.04643273250633952,0.03777157151668837,0.17133849633335618
EOS-3-45652,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5ccns5)no4)n23)cc1,PYRONSZWOARYCE-UHFFFAOYSA-N,3,1,0.584,4,539,411.834,3.53,5,0.432,0.73,1.0,0.6526540333082037,0.8016499897196903,0.15058940442738675,0.26713384963333564,0.46800681927215404
EOS-3-45653,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnc(Cl)nn5)n4)n23)nc1,QTXLZIGQYSIATA-UHFFFAOYSA-N,3,1,0.252,99,813,468.872,2.549,6,0.379,0.52,0.98,0.10037009115208005,0.18960318004249194,0.08744260160372833,0.11393153313686519,0.12283685148379139
EOS-3-45654,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)s1,RPZSKNDBVLUCDB-UHFFFAOYSA-N,3,1,0.581,37,626,467.917,4.427,5,0.341,0.69,1.0,0.8714275923514495,0.9060893701596875,0.4956565691179494,0.5381656500582551,0.7028347954218354
EOS-3-45655,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)nn1,IHNGVENIWFYOES-UHFFFAOYSA-N,3,1,0.327,71,356,467.428,2.765,6,0.372,0.53,0.71,0.46722294565142897,0.4156157905558221,0.1213247892536495,0.15843670755945446,0.2906500582550887
EOS-3-45656,c1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cscn6)cn5)n34)s2)c1,PUGHQISBAIPVPZ-UHFFFAOYSA-N,3,1,0.417,6,280,471.531,3.802,6,0.357,0.63,1.0,0.2881570831334384,0.3632119114522651,0.10701802480981427,0.11154992803783154,0.21748423685833734
EOS-3-45657,Fc1cc(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)cnc1Cl,SOSWEULDZDISLM-UHFFFAOYSA-N,3,1,0.494,97,666,438.875,4.681,5,0.371,0.65,1.0,0.7498971969022,0.6901771640052087,0.8099256390925913,0.8125042834624083,0.7656260708656021
EOS-3-45658,c1cc(COc2cncc3nnc(-c4ccnc(-c5ccnc(-c6nnco6)c5)c4)n23)sn1,PDZNHUOSTINUSH-UHFFFAOYSA-N,3,1,0.466,6,942,455.463,3.334,6,0.368,0.56,1.0,0.37860667534781717,0.2792389143992872,0.18236412857240764,0.16355116167500514,0.2509402199986293
EOS-3-45659,N#Cc1cc(F)cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)sn2)c1,GEVMWQMRYMHQII-UHFFFAOYSA-N,3,1,0.605,43,798,462.897,5.158,5,0.358,0.75,1.0,0.9213813309574396,0.9447176341580427,0.8966314851620862,0.9236601329586731,0.9215976458090605
EOS-3-45660,CCc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ncccc1F,FVJVSDFQGLGOGJ-UHFFFAOYSA-N,3,1,0.442,44,122,461.888,4.577,5,0.342,0.67,1.0,0.612569392091015,0.6706445754232061,0.45442395997532725,0.5014049756699335,0.5597607257898705
EOS-3-45661,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cncc(-c4cnns4)c3)n12,MQXWTNZMSRKSGH-UHFFFAOYSA-N,3,1,0.561,84,884,453.89,4.119,5,0.382,0.59,1.0,0.5780960866287438,0.6609982180796381,0.6667380577068056,0.7331488588856144,0.6597453053252005
EOS-3-45662,Fc1cc(-c2ncccn2)ncc1-c1nnc2cncc(-c3cnnc(-c4cccnn4)c3)n12,UWCVXALFOQDINX-UHFFFAOYSA-N,3,1,0.269,70,719,449.413,2.696,6,0.395,0.44,0.974,0.2965269686793229,0.36828353094373245,0.2416472483037489,0.28474744705640465,0.2978012987458022
EOS-3-45663,N=c1cc(-c2nnc3cncc(OCc4ccccc4F)n23)cc(-c2ccccn2)[nH]1,JLKPZTDBTOTWRG-UHFFFAOYSA-N,3,1,0.5,1,709,413.416,3.379,5,0.46,0.7,1.0,0.5725789870468097,0.4510571585223768,0.7093756425193612,0.6777037214721403,0.602678877390172
EOS-3-45664,Cc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)n1,YKEFEWXMQMFYFI-UHFFFAOYSA-N,3,1,0.529,75,583,416.47,3.03,5,0.416,0.63,1.0,0.5982797614968131,0.43369200191899115,0.0737440888218765,0.053260571585223765,0.28974410595572614
EOS-3-45665,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)nc4Cl)n23)c1,JAWNBHOJDSMRQN-UHFFFAOYSA-N,3,1,0.518,58,28,454.277,4.165,5,0.352,0.61,1.0,0.7617452539236516,0.7051350147351106,0.4718148173531629,0.5580494825577411,0.6241861421424165
EOS-3-45666,Fc1cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cnc1-c1ccccc1,GSKMMBYHABDLEZ-UHFFFAOYSA-N,3,1,0.468,28,363,476.475,4.423,6,0.348,0.72,1.0,0.6954715235419094,0.6610067850044548,0.5929254334863957,0.5835703515865944,0.6332435234048386
EOS-3-45667,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nnnn5C)nn4)n23)nn1,BPEHJPCVFNPGPB-UHFFFAOYSA-N,3,1,0.287,99,502,454.418,0.755,6,0.359,0.51,0.283,0.215132615996162,0.11104447947364814,0.0052686587622507025,0.002518675896100336,0.0834911075320403
EOS-3-45668,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5cccnn5)n4)n23)c(F)n1,LOWJBEQIHZBIJE-UHFFFAOYSA-N,3,1,0.417,53,617,415.392,2.46,5,0.399,0.65,0.99,0.6379017887739017,0.6513261599616201,0.1630628469604551,0.1456291549585361,0.39947998766362824
EOS-3-45669,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnccc5C)cc4OC)n23)c(F)c1,SYMWYJOCIUAKTJ-UHFFFAOYSA-N,3,1,0.409,62,319,483.507,3.655,5,0.393,0.65,0.999,0.4485384826262765,0.46442156123637857,0.547426495785073,0.3665530121307655,0.45673488794462336
EOS-3-45670,Cc1cnc(COc2cncc3nnc(-c4cncnc4-c4ccnc(C)n4)n23)cn1,GTWRUVVSRSNAAM-UHFFFAOYSA-N,3,1,0.411,7,535,412.417,2.024,5,0.422,0.65,1.0,0.332191076691111,0.1604242341169214,0.053688917826057156,0.029564457542320607,0.14396717154410252
EOS-3-45671,COC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5cc(F)ncn5)n4)n23)nc1,ZZUQWTAZXZXRBS-UHFFFAOYSA-N,3,1,0.278,50,155,447.365,2.165,5,0.298,0.62,0.749,0.34174319786169555,0.2536238091974505,0.17916866561579056,0.15056370365293675,0.23127484408196836
EOS-3-45672,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1-c1ncon1,LFAUJBFVPLTVRV-UHFFFAOYSA-N,3,1,0.512,28,363,465.448,4.621,6,0.351,0.71,1.0,0.8251833321910766,0.6950346103762594,0.6830409156329244,0.6688712219861559,0.718032520046604
EOS-3-45673,Cc1cnc(CCOc2cncc3nnc(-c4cc(Cl)cc(-c5cc(=O)n(C)cn5)c4)n23)cn1,PZOQJFPHOKIUGT-UHFFFAOYSA-N,3,1,0.468,20,846,474.912,2.925,5,0.369,0.59,1.0,0.40723733808512097,0.39646014666575286,0.2779967103008704,0.26973819477760264,0.33785809745733675
EOS-3-45674,Cn1nccc1-c1ccc(-c2nnc3cncc(Oc4cccc(F)c4Cl)n23)c(F)c1,RAZIOTHCBQWISN-UHFFFAOYSA-N,3,1,0.455,13,145,438.825,4.916,5,0.398,0.63,1.0,0.6010468782125968,0.7465732300733329,0.9384466451922417,0.9403742032759921,0.8066102391885408
EOS-3-45675,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)ncc1F,FTPYAFGRTDHMDS-UHFFFAOYSA-N,3,1,0.512,16,256,453.89,4.385,5,0.39,0.59,1.0,0.8444417791789459,0.8016585566445069,0.4923840038379823,0.5247755465698033,0.6658149715578096
EOS-3-45676,Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccn(C)n5)n34)ccn2)n1,HXZHKSZJMGEZLP-UHFFFAOYSA-N,3,1,0.482,58,819,412.457,2.912,5,0.423,0.71,1.0,0.3602391885408814,0.20807346994722775,0.15662051949832087,0.1047734905078473,0.20742666712356933
EOS-3-45677,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)c1F,RVXIHWIBHHCKTE-UHFFFAOYSA-N,3,1,0.607,88,732,463.875,5.406,5,0.337,0.79,1.0,0.9831916935096977,0.9820865602083476,0.9486155849496265,0.9567113289013776,0.9676512918922624
EOS-3-45678,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)ccn2)nn1,JXVOCAWENVQPES-UHFFFAOYSA-N,3,1,0.495,58,241,462.876,3.761,5,0.351,0.59,0.999,0.7930059625796724,0.7973322596120896,0.5236789801932699,0.5150692207525187,0.6572716057843877
EOS-3-45679,COCc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccccc4OC(F)F)n23)n1,KLIUSFCGDBFQOT-UHFFFAOYSA-N,3,1,0.356,96,121,460.444,4.663,5,0.349,0.67,0.999,0.6040881365225139,0.5692635871427593,0.7909584675484888,0.730347474470564,0.6736644164210814
EOS-3-45680,CCn1nncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1F,DALZHQQVZONVMC-UHFFFAOYSA-N,3,1,0.469,37,639,464.892,3.879,5,0.337,0.64,1.0,0.5670104859159756,0.6365824823521349,0.38528887670481804,0.4613546021520115,0.512559111781235
EOS-3-45681,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)o2)c1,BAZIEAPVBAYMDO-UHFFFAOYSA-N,3,1,0.321,76,541,446.492,5.437,6,0.359,0.79,0.985,0.19590843670755945,0.23838324994859844,0.43614214241655813,0.5480176135974231,0.3546128606675348
EOS-3-45682,Cc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)n1,AABVFQFUHYYNLZ-UHFFFAOYSA-N,3,1,0.529,75,583,449.927,4.288,5,0.382,0.58,1.0,0.689448975395792,0.695043177301076,0.28175759029538755,0.29967959701185665,0.491482335001028
EOS-3-45683,Clc1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccc4)n23)cc1,AQTPRFWJUVZLKV-UHFFFAOYSA-N,3,1,0.64,1,709,419.897,5.147,5,0.394,0.82,1.0,0.9390377630045919,0.9394061407717086,0.6235007881570831,0.7249246110616133,0.8067173257487492
EOS-3-45684,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1ncc(C)n1C,VEPMVAAEOLLOGF-UHFFFAOYSA-N,3,1,0.376,31,690,458.501,3.879,5,0.381,0.55,0.8,0.47233739976697964,0.3871136316907683,0.18566239462682477,0.12085360838873278,0.2914917586183264
EOS-3-45685,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cc2Cl)n1,QLMGSMOGBDZJTH-UHFFFAOYSA-N,3,1,0.506,16,772,453.84,4.097,5,0.373,0.56,1.0,0.7617538208484682,0.7807209923925708,0.8623038174216983,0.8532742786649304,0.8145132273319169
EOS-3-45686,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5cocn5)c4)n23)nc1,AGVGHWCNHNWMEB-UHFFFAOYSA-N,3,1,0.284,32,179,420.436,3.909,6,0.426,0.55,1.0,0.05148721814817353,0.021939894455486258,0.4471249400315263,0.4234545267630731,0.23600164484956482
EOS-3-45687,CCc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cc2F)ncn1,NOYIWLWOMUPZQY-UHFFFAOYSA-N,3,1,0.495,4,354,462.876,3.972,5,0.349,0.59,1.0,0.819811870331026,0.842711260365979,0.5800664793365773,0.5547169488040573,0.69932663970941
EOS-3-45688,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)c(F)n2)cs1,RCXWHIVOUYVRDQ-UHFFFAOYSA-N,3,1,0.537,58,28,425.474,3.793,5,0.396,0.61,1.0,0.5145809060379686,0.5692721540675759,0.17917723254060722,0.17171544102528957,0.35868643341786033
EOS-3-45689,Cc1cccc(-c2ncccc2-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)n1,NXOPYCALMGTHRL-UHFFFAOYSA-N,3,1,0.379,14,358,412.884,4.801,5,0.424,0.79,0.812,0.3120845041463916,0.37774998286615036,0.6145654855732986,0.6865704886573916,0.497742615310808
EOS-3-45691,Fc1ccncc1CCOc1cncc2nnc(-c3cnnc(-c4ccsc4)c3)n12,CNTVVFMCCBODOB-UHFFFAOYSA-N,3,1,0.517,65,778,419.445,3.465,5,0.416,0.58,1.0,0.6774981152765404,0.6365910492769515,0.4785484202590638,0.49490267973408264,0.5718850661366596
EOS-3-45692,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCc5nccc(C)n5)n34)c2)cn1,LPKVAVUEDPEBRS-UHFFFAOYSA-N,3,1,0.347,7,828,412.417,2.024,5,0.422,0.63,1.0,0.3369971215132616,0.16833150572270578,0.053697484750873825,0.030472551572887398,0.14737466588993214
EOS-3-45693,CCn1ccnc1Oc1ccc(-c2cncc3nnc(-c4ccc(C(N)COC)nc4)n23)cn1,FNRIWRPNLAZOAR-UHFFFAOYSA-N,3,1,0.288,82,974,457.498,2.903,5,0.373,0.54,1.0,0.1679545610307724,0.07857583441847714,0.23454526763073127,0.09859673771502982,0.14491810019875268
EOS-3-45695,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)n1,GYBOJGWZRJQAQF-UHFFFAOYSA-N,3,1,0.5,65,981,411.429,2.363,5,0.415,0.7,1.0,0.6742426838462066,0.532083133438421,0.10180076759646357,0.08865910492769516,0.3491964224521966
EOS-3-45696,COc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cn1,ZWHATKYPRGJEJQ-UHFFFAOYSA-N,3,1,0.482,97,988,411.425,3.231,5,0.42,0.71,1.0,0.5670190528407922,0.38254746076348434,0.5541600986909739,0.4106898087862381,0.4786041052703721
EOS-3-45697,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,ITWVEBJKIAAFMK-UHFFFAOYSA-N,3,1,0.545,11,0,464.863,4.801,5,0.336,0.71,1.0,0.9560002741415942,0.9627081762730451,0.8894181344664519,0.8990559248852033,0.9267956274415736
EOS-3-45698,CCOc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccn1,QZKDMLBKXDBVKT-UHFFFAOYSA-N,3,1,0.429,7,441,475.9,3.373,5,0.345,0.66,1.0,0.460078130354328,0.4776745939277637,0.17600747035844014,0.12086217531354945,0.3086555924885203
EOS-3-45699,CCc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1cnc(C)cn1,WHKGSWNVTHZDEP-UHFFFAOYSA-N,3,1,0.489,13,573,461.888,5.099,5,0.359,0.73,0.941,0.6621461860050716,0.6901857309300253,0.5929340004112124,0.5986053046398465,0.635967805496539
EOS-3-45700,Fc1cnc(COc2nccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2F)nc1,OGPXROFXCPYQAE-UHFFFAOYSA-N,3,1,0.544,51,196,462.42,2.85,5,0.343,0.55,1.0,0.7731135631553697,0.5603625522582414,0.29972243163594,0.25184188883558356,0.4712601089712837
EOS-3-45701,Cc1nnc(-c2cccnc2)cc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)c(F)c3)n12,ZHDQURURJURGLX-UHFFFAOYSA-N,3,1,0.326,98,424,464.468,3.553,6,0.389,0.5,1.0,0.19591700363237613,0.2845075731615379,0.3436707559454458,0.3502758549790967,0.29359279692961415
EOS-3-45702,Fc1cncc(-c2cc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)nc5)n34)cnn2)c1,PNEUGVYRSVQTDQ-UHFFFAOYSA-N,3,1,0.395,42,106,465.427,4.046,6,0.384,0.53,1.0,0.3014957850729902,0.4061322047837708,0.6857566307998081,0.7384003837982318,0.5329462511137002
EOS-3-45703,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)cnc2Cl)cn1,LVOWYXTTZUXXSQ-UHFFFAOYSA-N,3,1,0.5,65,552,449.927,4.288,5,0.357,0.61,1.0,0.7012541977931601,0.8016671235693236,0.39999828661503667,0.39810499623055307,0.5752561510520183
EOS-3-45704,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccn5)ncn4)n23)cn1,JMQJWNKSJUNGGU-UHFFFAOYSA-N,3,1,0.511,24,354,414.404,3.065,5,0.432,0.61,1.0,0.5699489411280927,0.6513347268864369,0.43251833321910765,0.3794205332054006,0.5083056336097594
EOS-3-45705,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,RNTISABKHVXHEG-UHFFFAOYSA-N,3,1,0.518,58,28,453.89,4.119,5,0.357,0.6,1.0,0.8375454047015284,0.8587314097731479,0.5133901034884518,0.5643376053731752,0.6935011308340758
EOS-3-45706,Fc1ccc(F)c(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)c1,CIYGRTBQVFKLBS-UHFFFAOYSA-N,3,1,0.554,59,71,450.836,4.759,5,0.359,0.66,1.0,0.7677078335960523,0.9447262010828593,0.9306079089849908,0.939448975395792,0.8956227297649237
EOS-3-45707,Cc1cnc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)c(-c2ccsc2)c1,AJVAWPWLXATKCK-UHFFFAOYSA-N,3,1,0.337,10,871,454.494,4.61,6,0.387,0.6,0.841,0.006502295935850867,0.10790898499074772,0.3890069220752519,0.4737595092865465,0.24429442807209922
EOS-3-45708,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C(C)C)c5)c(F)cn4)n23)cc1,GAUXDQJRRZLSFV-UHFFFAOYSA-N,3,1,0.489,89,677,443.486,4.657,5,0.38,0.66,1.0,0.4970701117126996,0.47768316085258034,0.6751250771023234,0.5014135425947502,0.5378229730655884
EOS-3-45709,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5csnn5)cc4F)n23)c1,SKEYKXDWFKLEQY-UHFFFAOYSA-N,3,1,0.329,64,27,470.468,4.712,6,0.368,0.7,1.0,0.10785758344184772,0.24875779590158317,0.6414656294976355,0.7462990884791995,0.43609502433006647
EOS-3-45710,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cnn2)nc1,JZANNYVDLSKOKH-UHFFFAOYSA-N,3,1,0.42,20,65,450.825,2.242,5,0.379,0.48,1.0,0.6983500102803097,0.7507710232335001,0.13241038996641766,0.1990353642656432,0.4451416969364677
EOS-3-45711,Cn1nc(-c2cnc(C#N)cn2)cc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,DHCJARMYJHHUCD-UHFFFAOYSA-N,3,1,0.41,31,569,459.861,1.918,5,0.345,0.59,1.0,0.43435165512987456,0.3964687135905695,0.09439894455486258,0.10915118908916456,0.2585926255911178
EOS-3-45712,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccccc5F)c4)n23)n1,YVOSXTMBNBCRGV-UHFFFAOYSA-N,3,1,0.523,4,183,413.416,3.67,5,0.434,0.65,1.0,0.6742512507710232,0.5986652731135631,0.5336594476046879,0.5014221095195669,0.5769995202522102
EOS-3-45713,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)c(Cl)n1,IDQUDSSZKCNQLM-UHFFFAOYSA-N,3,1,0.495,58,271,467.32,3.91,5,0.35,0.59,1.0,0.6921903913371257,0.6316136659584676,0.5236875471180865,0.5835789185114112,0.6077676307312727
EOS-3-45714,Cc1cnsc1COc1cncc2nnc(-c3ccc(-c4ccc(F)cn4)nn3)n12,SNGHTIBGJAUKPK-UHFFFAOYSA-N,3,1,0.424,54,411,420.433,3.126,5,0.427,0.55,0.943,0.5226081145911864,0.4864042903159482,0.14452402165718595,0.17172400795010623,0.3313151086286067
EOS-3-45715,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)n[nH]1,VPXUAPRLKKOIKL-UHFFFAOYSA-N,3,1,0.556,47,626,463.864,2.865,5,0.37,0.64,1.0,0.934805702145158,0.8673754369131657,0.5304382838736207,0.531749023370571,0.7160921115756288
EOS-3-45716,COc1ncncc1COc1cncc2nnc(-c3cnc(-c4cccnc4)nc3)n12,NKMAVYIWSJTTPQ-UHFFFAOYSA-N,3,1,0.422,2,131,413.401,2.021,5,0.408,0.65,1.0,0.5145894729627852,0.24876636282639983,0.11539647728051539,0.06355801521485847,0.23557758207113974
EOS-3-45717,N#Cc1nc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)ccc1Cl,MXHPDBYLSALOEZ-UHFFFAOYSA-N,3,1,0.354,66,455,415.766,3.774,4,0.471,0.53,1.0,0.4437667055033925,0.6513432938112536,0.9095675416352547,0.9061750394078542,0.7277131450894387
EOS-3-45718,Cc1cc(COc2cncc3nnc(-c4cc(-c5cnc(C)nc5)ncn4)n23)sn1,GAFMEDYXTQGWBI-UHFFFAOYSA-N,3,1,0.488,7,113,417.458,2.691,5,0.425,0.6,0.941,0.32705948872592694,0.1770012336371736,0.06327530669590843,0.03666643821533822,0.15100061681858679
EOS-3-45719,Cn1cnnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1Cl,UUGHSMORFSYWMR-UHFFFAOYSA-N,3,1,0.512,37,639,472.361,4.577,5,0.36,0.69,1.0,0.7789048043314372,0.8617212665341649,0.4718233842779796,0.5986138715646632,0.6777658316770612
EOS-3-45721,Fc1cncc(Cl)c1-c1ncc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1,MIKFXVSIORKYNW-UHFFFAOYSA-N,3,1,0.5,2,930,469.267,4.063,5,0.355,0.62,0.997,0.9292543348639573,0.9408196833664588,0.680496538962374,0.7590295387567678,0.8274000239873895
EOS-3-45722,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2C)cn1,XDUXNEXBTOHMSO-UHFFFAOYSA-N,3,1,0.511,31,235,413.445,2.307,5,0.417,0.65,0.987,0.27199129600438626,0.09171749708724557,0.07375265574669317,0.04805188129668974,0.12137833253375369
EOS-3-45723,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nn1,PJGABRYTWSEHKA-UHFFFAOYSA-N,3,1,0.512,36,320,414.433,1.702,5,0.408,0.6,1.0,0.5121907340141183,0.304879720375574,0.027585497909670343,0.020749091905969432,0.216351261051333
EOS-3-45724,COc1nc(-c2cc[nH]n2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,RHSROVBEPNNZSL-UHFFFAOYSA-N,3,1,0.468,58,710,432.419,2.741,5,0.39,0.52,1.0,0.7166746624631622,0.6180008224247824,0.3144061407717086,0.2286340895072305,0.46942892879172093
EOS-3-45725,Cc1cc(-c2cnnc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)ncn1,ATLBZZBZNQURAC-UHFFFAOYSA-N,3,1,0.376,31,466,412.417,1.758,5,0.406,0.65,0.996,0.4279350284421904,0.21296518401754505,0.04321156877527243,0.033633746830237815,0.1794363820163114
EOS-3-45726,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nc2)no1,DULQVWBEUMNBMH-UHFFFAOYSA-N,3,1,0.329,86,977,410.357,2.348,6,0.422,0.71,1.0,0.2557655404016174,0.13770474950311837,0.09440751147967925,0.10061853197176342,0.14712408333904461
EOS-3-45727,Cc1ccc(-c2nnc3cncc(COc4cccc(-c5ccccc5F)n4)n23)nc1,SWRKSPQPRRKJFP-UHFFFAOYSA-N,3,1,0.367,14,616,412.428,4.275,5,0.429,0.73,1.0,0.5071533822219176,0.5942276060585292,0.6114813926392982,0.5895928997327119,0.5756138201631142
EOS-3-45728,Fc1ccc(-c2nsc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)n2)cc1Cl,RZKKFIGIHFPZIC-UHFFFAOYSA-N,3,1,0.344,22,315,459.844,5.102,5,0.372,0.75,1.0,0.30150435199780684,0.5184017545062024,0.8665615790555822,0.9107155095606881,0.6492957987800698
EOS-3-45729,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cnn2)cn1,OBJYDNKAIMVPEJ-UHFFFAOYSA-N,3,1,0.454,65,779,446.862,2.412,5,0.358,0.53,1.0,0.5898156397779453,0.6316222328832842,0.10180933452128024,0.10915975601398122,0.3581017407991227
EOS-3-45730,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)c(F)c2)nn1,BPWOEJPMKGBJGS-UHFFFAOYSA-N,3,1,0.448,80,34,481.455,2.552,6,0.349,0.68,1.0,0.40487286683572066,0.4015574669316702,0.1956257281886094,0.16892262353505585,0.292744671372764
EOS-3-45731,Cc1nccc(CCOc2cncc3nnc(-c4cccc(-c5nccn5C)c4)n23)c1Cl,ULVAFKSLTGRCEP-UHFFFAOYSA-N,3,1,0.545,15,921,445.914,4.17,5,0.39,0.53,1.0,0.5807689671715441,0.5793382907271606,0.4956651360427661,0.46765129189226234,0.5308559214584333
EOS-3-45732,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(C(F)F)c4)n23)cc1,UDKLOBNZHBOTHX-UHFFFAOYSA-N,3,1,0.534,15,320,461.476,4.629,5,0.335,0.66,1.0,0.8578832842162977,0.6033428140634638,0.7093842094441779,0.5708313343842094,0.6853604105270372
EOS-3-45733,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cnccn5)ncn4)n23)cn1,KQPNDBDRBPSDTI-UHFFFAOYSA-N,3,1,0.348,85,290,410.401,1.123,5,0.449,0.63,1.0,0.0932252758549791,0.035081557124254675,0.051675690494140225,0.034661777808237954,0.05366107532040299
EOS-3-45734,COc1nc(-c2noc(C)n2)ccc1-c1nnc2cncc(OCCc3cccc(F)n3)n12,JKPDQJLNUTZNMG-UHFFFAOYSA-N,3,1,0.464,58,954,448.418,2.709,5,0.343,0.56,1.0,0.5584863957233911,0.4959050099376328,0.07803611815502708,0.05200980056199027,0.2961093310945103
EOS-3-45735,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5cnc(F)nc5)c4)n23)n(C)n1,KNVXTYGIWKVTNB-UHFFFAOYSA-N,3,1,0.466,7,434,417.408,2.403,5,0.401,0.62,0.996,0.4048814337605373,0.37290967034473305,0.23097285998218078,0.15844527448427112,0.2918023096429305
EOS-3-45736,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccnn5C(C)C)n4)n23)c(F)n1,OQUWJJCPTSCKML-UHFFFAOYSA-N,3,1,0.394,92,986,445.462,3.447,5,0.366,0.59,0.945,0.4255876910424234,0.4061407717085875,0.1505979713522034,0.07816462202727709,0.26512276403262286
EOS-3-45737,CCOCc1ccc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ncn2)cn1,XFYYMSIAEFZNRH-UHFFFAOYSA-N,3,1,0.478,7,238,445.508,3.82,5,0.355,0.58,0.983,0.33925022274004524,0.24375471180864916,0.252475841272017,0.17999109039819067,0.25386796655472554
EOS-3-45738,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4csc(-c5cncc(F)c5)n4)n23)cc1,VEFXFQWRPKFFKG-UHFFFAOYSA-N,3,1,0.464,89,398,487.52,3.92,6,0.371,0.82,1.0,0.44854704955109315,0.30488828730039064,0.19905249811527653,0.23141834007264753,0.29597654375985194
EOS-3-45739,COc1nc(-c2nnc(F)s2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,YSIWNNQFCUUNNZ-UHFFFAOYSA-N,3,1,0.489,58,271,468.449,3.008,5,0.356,0.56,1.0,0.7229370845041464,0.6610153519292715,0.20255637036529367,0.17698409978754026,0.440873226646563
EOS-3-45740,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc(C)nn6C)cc5F)n34)nc2)nn1,RHRSPUZTSIXBEM-UHFFFAOYSA-N,3,1,0.341,98,424,478.495,3.862,6,0.375,0.61,1.0,0.19317558769104243,0.2792474813241039,0.25248440819683365,0.24013946953601537,0.24126173668699882
EOS-3-45741,CCc1ncc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c(-c2cccnn2)n1,JLKYIXJUAVHJQS-UHFFFAOYSA-N,3,1,0.411,55,283,445.874,3.228,5,0.363,0.54,0.979,0.6125779590158317,0.7187906928928792,0.12382633130011651,0.1584538414090878,0.4034122061544788
EOS-3-45742,Cc1nc(COc2cncc3nnc(-c4cnccc4OCc4ccc(Cl)cc4)n23)cs1,UKHVEWOPUZAKIG-UHFFFAOYSA-N,3,1,0.523,4,92,464.938,4.763,5,0.343,0.76,1.0,0.5279624426016037,0.5740182304160099,0.5507761633883901,0.5214601466657529,0.5435542457679392
EOS-3-45743,Fc1ccc(Cl)c(-c2ccnnc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,KPNICVJPSHMGHT-UHFFFAOYSA-N,3,1,0.373,45,730,453.815,5.04,5,0.379,0.63,0.83,0.3670413268453156,0.6461603042971695,0.9474076485504763,0.9578764306764443,0.7296214275923515
EOS-3-45744,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)nc5)n34)cc2)nn1,OZKJZBVUJQVSSJ-UHFFFAOYSA-N,3,1,0.338,69,339,468.933,5.087,6,0.355,0.72,0.999,0.17896305942019053,0.33412720169967786,0.5800750462613941,0.640240559248852,0.43335146665752866
EOS-3-45745,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5cscn5)ccn4)n23)nc1Cl,VOQZCXJRMVLNJP-UHFFFAOYSA-N,3,1,0.429,46,267,457.853,4.215,5,0.365,0.63,1.0,0.5252381605099034,0.5320917003632376,0.6857651977246247,0.7169916386813789,0.6150216743197862
EOS-3-45746,Cc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cn5)n34)n2)n1,PFPHHQSIOPJGPC-UHFFFAOYSA-N,3,1,0.409,46,128,414.404,3.065,5,0.432,0.58,0.999,0.5699575080529093,0.48178671783976423,0.29973099856075663,0.2816205194983209,0.4082739359879378
EOS-3-45747,COc1nc(-c2nnc3cncc(OCc4ccsc4)n23)ccc1-c1csc(C)n1,BWIXVZZMHBNPNU-UHFFFAOYSA-N,3,1,0.488,49,501,436.522,4.267,5,0.393,0.6,0.997,0.3464807072853129,0.2080820368720444,0.17282914125145638,0.09860530463984649,0.20649929751216506
EOS-3-45748,CC(=O)NCc1ccc(-c2nnc3cncc(OCc4cc(-c5cocn5)ccn4)n23)c(Cl)c1,PVWFXVZZAGBTTE-UHFFFAOYSA-N,3,1,0.469,4,61,475.896,3.71,5,0.378,0.59,1.0,0.5751233637173601,0.442336029059009,0.44713350695634296,0.33745973545336166,0.45051315879651843
EOS-3-45749,COc1nc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1-c1ncc(F)cn1,UWJPTQXYPQTJRK-UHFFFAOYSA-N,3,1,0.429,49,896,480.41,3.086,5,0.347,0.65,0.999,0.7499057638270167,0.6610239188540882,0.4471420738811596,0.3921081488588856,0.5625449763552876
EOS-3-45750,N#Cc1cccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c(F)c2)c1,GMYUPYOAAQAHBE-UHFFFAOYSA-N,3,1,0.573,57,163,443.388,5.54,5,0.365,0.78,1.0,0.9552635186073607,0.9642759235144952,0.9891971078061819,0.992521074635049,0.9753144061407717
EOS-3-45752,Cc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccnn1C,XFOIJWDUPOBRQC-UHFFFAOYSA-N,3,1,0.482,31,773,412.457,2.912,5,0.423,0.67,1.0,0.3921424165581523,0.16834007264752243,0.18888355835789186,0.1339695702830512,0.22083390446165446
EOS-3-45753,Fc1cnc(-c2cncc(-c3nnc4cncc(Oc5c(F)cccc5Cl)n34)c2)s1,IKYMFDUZOCAOBI-UHFFFAOYSA-N,3,1,0.434,13,995,442.838,5.034,5,0.388,0.72,1.0,0.7105493112192447,0.7187992598176959,0.8321139743677609,0.8617641011582482,0.7808066616407374
EOS-3-45754,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)c(F)c5)n34)n2)cn1,TZVNNAQEEUOIDN-UHFFFAOYSA-N,3,1,0.337,32,572,466.455,4.594,6,0.353,0.63,1.0,0.19318415461585908,0.32940682612569394,0.8247035844013433,0.8146460146665753,0.5404851449523679
EOS-3-45755,Cc1nc(-c2cncc(Cl)c2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)n1,QHWLIQUBNAAXHX-UHFFFAOYSA-N,3,1,0.368,31,602,480.319,3.67,5,0.359,0.65,0.999,0.5725875539716263,0.5508446987869234,0.23455383455554793,0.3374683023781783,0.42386359742306906
EOS-3-45756,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(OC)n1,UIECQFVDMUOLTC-UHFFFAOYSA-N,3,1,0.392,7,456,463.889,3.101,5,0.358,0.57,0.994,0.36239805359468164,0.36322047837708177,0.14155986567061887,0.09648927421012954,0.24091691796312795
EOS-3-45757,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1nccs1,DPHPXEHICQVLDS-UHFFFAOYSA-N,3,1,0.522,11,490,453.89,4.119,5,0.357,0.64,1.0,0.9101843602220547,0.9180573641285724,0.4683623466520458,0.5014306764443835,0.6995086868617642
EOS-3-45758,OCc1c[nH]c(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)n1,AMMBNOAALWCYFS-UHFFFAOYSA-N,3,1,0.406,51,196,435.835,2.091,5,0.41,0.58,1.0,0.5431001987526557,0.5986738400383799,0.17283770817627306,0.17699266671235694,0.3729011034199164
EOS-3-45759,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)c(F)c2)n1,WTQMOKALVSTMBK-UHFFFAOYSA-N,3,1,0.466,13,451,459.872,4.957,5,0.377,0.68,1.0,0.7378092659858817,0.8324052498115276,0.8848433966143513,0.8680522239736824,0.8307775340963607
EOS-3-45760,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)nc5)n34)c(F)c2)cnc1Cl,YODZVIUWLZREDK-UHFFFAOYSA-N,3,1,0.424,13,284,468.279,5.19,5,0.335,0.77,1.0,0.8514409567541635,0.870305325200466,0.8157254471934754,0.8463350695634295,0.8459516996778835
EOS-3-45761,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)ccc1-c1ccccn1,QLSQZYJQWCKCRH-UHFFFAOYSA-N,3,1,0.442,49,501,477.887,4.066,5,0.346,0.66,0.985,0.7558512096497841,0.6610324857789048,0.4992289767664999,0.47065828250291275,0.5966927386745254
EOS-3-45762,COc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cscn1,KLZPWPZSXDYSTL-UHFFFAOYSA-N,3,1,0.391,51,924,452.887,3.341,5,0.382,0.54,0.995,0.5353728325680214,0.48641285724076483,0.1324189568912343,0.11854910561304914,0.31818843807826747
EOS-3-45763,Fc1cc(-c2cncs2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,PBNMVJFJNSIUHZ-UHFFFAOYSA-N,3,1,0.553,11,439,452.902,4.724,5,0.347,0.66,1.0,0.7320351586594476,0.7635785758344185,0.6938952093756425,0.7410218627921321,0.7326327016654102
EOS-3-45764,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)ccn1,LYOCKFFJEAJOAW-UHFFFAOYSA-N,3,1,0.453,20,658,429.419,2.524,5,0.385,0.48,1.0,0.512199300938935,0.4381211020492084,0.21653759166609554,0.19621684600095948,0.34076871016379956
EOS-3-45765,Clc1ncc(-c2cccnn2)cc1-c1nnc2cncc(OC3CCOCC3)n12,FRWLVHJKALSJML-UHFFFAOYSA-N,3,1,0.376,78,548,409.837,2.854,5,0.474,0.69,1.0,0.3944469193338359,0.382556027688301,0.07575731615379343,0.2342454252621479,0.2717514221095196
EOS-3-45766,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccccc4-c4ccccc4Cl)n23)nc1,GCVSYUPDKDOLPD-UHFFFAOYSA-N,3,1,0.342,30,737,464.92,4.969,6,0.366,0.68,1.0,0.1402748269481187,0.2741587279830032,0.5771965595229936,0.695094578849976,0.4216811733260229
EOS-3-45767,Cc1nc(F)cc(CCOc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)n1,RYOZMCZQYMKOPE-UHFFFAOYSA-N,3,1,0.489,75,359,419.38,2.095,5,0.377,0.6,1.0,0.6526626002330204,0.4817952847645809,0.08508669727914468,0.07637413474059351,0.32397967925433485
EOS-3-45768,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,SNYAEXWWCCFIQY-UHFFFAOYSA-N,3,1,0.346,30,668,449.905,5.359,6,0.362,0.73,0.986,0.011616750051401548,0.19411794942087587,0.7640069220752519,0.8386933726269619,0.4521087485436228
EOS-3-45769,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc(F)n2)n1,FZMSOUPZQJWHIZ-UHFFFAOYSA-N,3,1,0.495,58,578,447.409,2.641,5,0.362,0.51,1.0,0.8016499897196903,0.6752707148242068,0.31441470769652524,0.312384346514975,0.5259299396888494
EOS-3-45770,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n(C)n1,JVXGQBIYHVVWDG-UHFFFAOYSA-N,3,1,0.355,67,789,468.485,2.391,6,0.361,0.61,1.0,0.28816565005825506,0.1987697895963265,0.024252964155986566,0.014632307586868617,0.13145517784935917
EOS-3-45771,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nc2F)s1,MJUJUDZPRFYCBJ-UHFFFAOYSA-N,3,1,0.575,19,442,467.917,4.427,5,0.341,0.68,1.0,0.6834178603248577,0.7465817969981495,0.3552532382975807,0.45199952025221024,0.5593131039681996
EOS-3-45772,Fc1ccccc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4ccon4)cc3)n12,FPBFNPXJJAYUJH-UHFFFAOYSA-N,3,1,0.384,69,695,434.434,5.314,6,0.374,0.71,1.0,0.2586525940648345,0.3100027414159413,0.7887996024946885,0.8265197724624769,0.5459936776094853
EOS-3-45773,CCc1cc(F)c(COc2cncc3nnc(-c4cc(-c5cccnc5F)on4)n23)cn1,RLHKIFGWJJFJFE-UHFFFAOYSA-N,3,1,0.38,46,717,435.394,3.656,5,0.372,0.6,1.0,0.519781029401686,0.38712219861558494,0.5507847303132067,0.49173291755191556,0.4873552189705983
EOS-3-45774,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)[nH]c(=N)n2)cn1,YSRYKFRNJOOIFA-UHFFFAOYSA-N,3,1,0.392,46,577,465.399,2.756,5,0.382,0.58,1.0,0.46230553080666165,0.29992803783154,0.7069512027962442,0.6254283462408334,0.5236532794188198
EOS-3-45776,CCCCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,VVZCTHNHEYMTQL-UHFFFAOYSA-N,3,1,0.283,8,474,474.532,4.369,6,0.335,0.72,0.987,0.07520046604071003,0.035090124049071345,0.02127167431978617,0.06062812692755808,0.048047597834281405
EOS-3-45777,Fc1ccc(CCCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)cc1F,TVQGFXJBIBJVHN-UHFFFAOYSA-N,3,1,0.627,57,883,443.457,5.143,5,0.326,0.76,1.0,0.9370331025974916,0.8494791309711466,0.8894267013912686,0.8936073607018025,0.8923865739154273
EOS-3-45778,COc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1nccn1C,BOJMOHMEKDAYEP-UHFFFAOYSA-N,3,1,0.424,49,551,464.436,2.89,5,0.339,0.57,1.0,0.5807775340963608,0.40614933863340413,0.35526180522239736,0.25494311561921734,0.39928294839284484
EOS-3-45779,Cc1cc(COc2cncc3nnc(-c4cc(-c5cnc(C)s5)ncn4)n23)c(F)c(C)n1,NRYJYAXUTQDBKS-UHFFFAOYSA-N,3,1,0.4,31,238,448.487,3.743,5,0.4,0.53,0.994,0.509646357343568,0.44234459598382564,0.2380234391062984,0.15846240833390446,0.3371192001918991
EOS-3-45780,COc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc1-c1ccon1,MZRYZXIVJBZAJW-UHFFFAOYSA-N,3,1,0.394,49,564,453.821,3.616,5,0.38,0.53,0.998,0.6408488109108355,0.5093122472757179,0.5541686656157906,0.49798677266808306,0.5505791241176067
EOS-3-45781,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccnc(F)c5)n34)s2)cn1,WHKXUOXIRBMQPA-UHFFFAOYSA-N,3,1,0.286,94,892,467.493,4.276,6,0.354,0.63,0.99,0.19319272154067577,0.29993660475635664,0.3663045713110822,0.3696285381399493,0.307265608937016
EOS-3-45782,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cc2)no1,ABJKSFFJSFPHEO-UHFFFAOYSA-N,3,1,0.377,42,983,409.369,2.953,6,0.428,0.74,1.0,0.23738091974504832,0.14893598793776985,0.20972688643684462,0.21113186210677815,0.20179391405661024
EOS-3-45783,CC#Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nnc2Cl)c1,HSZVKYQTFLPWQJ-UHFFFAOYSA-N,3,1,0.377,65,658,469.896,3.08,5,0.346,0.57,1.0,0.6265591803166335,0.6657871290521554,0.3329878006990611,0.3437992598176958,0.49228334247138644
EOS-3-45784,COc1ncc(-c2nnc3cncc(OCCc4cccc(C)n4)n23)cc1-c1ccc(F)c(F)c1,XRNIRFABTIPVIM-UHFFFAOYSA-N,3,1,0.5,11,275,474.471,4.465,5,0.344,0.73,0.999,0.8349153587828113,0.7507795901583167,0.730193269823864,0.6254369131656501,0.7353312829826606
EOS-3-45786,CCn1ccnc1-c1cccc(COc2cncc3nnc(-c4nnc(-c5ccccc5)n4C)n23)n1,VONQQSOMDAYKLM-UHFFFAOYSA-N,3,1,0.385,81,609,478.52,3.444,6,0.343,0.66,0.98,0.12676478651223358,0.13403810568158453,0.029855732986087315,0.030481118497704063,0.08028493591940238
EOS-3-45787,Cc1cc(C#N)cnc1-c1ccnc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1,ZUOIJRRUCJXGHO-UHFFFAOYSA-N,3,1,0.457,55,390,454.881,4.056,5,0.365,0.61,1.0,0.6180607908984991,0.8211654444520595,0.6830494825577411,0.654478788294154,0.6941886265506135
EOS-3-45788,Cn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(-c2ncc(CO)cn2)c1=O,STPVIYZTUJVTDR-UHFFFAOYSA-N,3,1,0.483,65,359,457.454,0.851,5,0.373,0.57,0.268,0.20711397436776094,0.00562846960455075,0.0480347474470564,0.04160098690973888,0.07559454458227674
EOS-3-45789,CCn1cc(-c2cccc(-c3nnc4cncc(Cc5ccc(Cl)cc5)n34)c2)cn1,VVWKZODPCFRBBN-UHFFFAOYSA-N,3,1,0.388,14,358,414.9,4.919,5,0.409,0.77,1.0,0.20988109108354466,0.2792560482489206,0.72503598108423,0.7667397710917689,0.49522822287711604
EOS-3-45790,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,ZQVASSBLOOEVRE-UHFFFAOYSA-N,3,1,0.393,51,804,467.852,2.757,5,0.347,0.57,0.996,0.5584949626482077,0.5004283462408334,0.15364779658693714,0.12946336782948392,0.3355086183263655
EOS-3-45791,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)C5)cn4)n23)cc1,XSLPBMBHXBWBKG-UHFFFAOYSA-N,3,1,0.376,52,821,488.462,2.525,6,0.379,0.76,1.0,0.07940682612569393,0.1237749297512165,0.03732609142622164,0.11633883901034885,0.08921167157837023
EOS-3-45792,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,JXYBCKRUJVMVTN-UHFFFAOYSA-N,3,1,0.464,15,467,479.903,4.009,5,0.348,0.68,1.0,0.677506682201357,0.5986824069631965,0.5772051264478103,0.5115139469536015,0.5912270406414913
EOS-3-45793,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1cscn1,XXDOTFQHRKIXSG-UHFFFAOYSA-N,3,1,0.518,59,89,456.865,4.82,5,0.353,0.68,1.0,0.9117092728394216,0.8673840038379823,0.9023027893907203,0.9050613391816873,0.8966143513124529
EOS-3-45794,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cnco5)n4)n23)cc1,PZWHKNUZBYGNSN-UHFFFAOYSA-N,3,1,0.3,98,866,413.365,0.612,6,0.399,0.65,1.0,0.0514957850729902,0.045370433829072715,0.006656500582550888,0.006545130559934206,0.027516962511137003
EOS-3-45795,Fc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)cn1,YYJALZXHVZPPJE-UHFFFAOYSA-N,3,1,0.608,57,962,449.848,5.364,5,0.338,0.78,1.0,0.9785484202590639,0.9843310945103145,0.9734082653690631,0.9767065314234802,0.9782485778904804
EOS-3-45796,COc1cc(-c2nnc3cncc(OCc4cc(C)no4)n23)ccc1-c1ccccc1,GDJFYYUAQPAMMY-UHFFFAOYSA-N,3,1,0.615,1,347,413.437,4.342,5,0.409,0.79,1.0,0.5171938181070523,0.2586782948392845,0.5604396545815914,0.4361764101158248,0.4431220444109382
EOS-3-45797,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)ccc2F)c1,JRBFXOYEUKGTNC-UHFFFAOYSA-N,3,1,0.565,35,125,465.851,4.196,5,0.347,0.61,1.0,0.9772719484613803,0.9601637996024946,0.809934206017408,0.8326451237063943,0.8950037694469194
EOS-3-45798,Fc1cnccc1CCOc1cncc2nnc(-c3cc(Cl)nc(-c4cccnc4F)c3)n12,MFDOVEVUZTUUJU-UHFFFAOYSA-N,3,1,0.516,35,161,465.851,4.196,5,0.347,0.61,1.0,0.8813223905147008,0.9254077856212733,0.8138235898841751,0.822544719347543,0.8607746213419231
EOS-3-45799,Fc1ccncc1CCOc1cncc2nnc(-c3cncc(-c4ccccn4)c3)n12,OMXRPRUYNHZRJE-UHFFFAOYSA-N,3,1,0.506,2,76,413.416,3.404,5,0.421,0.67,1.0,0.7845932424097046,0.7096926187375779,0.5834418477143445,0.5740781988897266,0.6629514769378384
EOS-3-45800,Cc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5ncco5)c(F)n4)n23)c1Cl,GKYDVLGPIOBINW-UHFFFAOYSA-N,3,1,0.409,46,223,455.812,4.055,5,0.365,0.58,0.996,0.7585240901925845,0.6461688712219862,0.6473682406963196,0.6402491261736687,0.6730775820711398
EOS-3-45801,Cc1ccc(-c2nnc3cncc(-c4ccc(F)cc4OCc4cccc(Cl)n4)n23)nc1,LWVLBGZWSNCGPH-UHFFFAOYSA-N,3,1,0.311,96,586,446.873,4.928,5,0.356,0.66,1.0,0.5558135151805907,0.5740267973408265,0.8076982386402577,0.8078353094373244,0.6863434651497499
EOS-3-45802,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5F)n34)c2)cn1,FMHXLUIKERNBGX-UHFFFAOYSA-N,3,1,0.542,57,962,449.848,5.364,5,0.338,0.76,1.0,0.9117178397642383,0.9320557192790077,0.9708381879240627,0.9750188472345966,0.9474076485504763
EOS-3-45803,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)c(F)cn1,YGNUGKAOXRULQV-UHFFFAOYSA-N,3,1,0.438,73,624,468.855,3.975,5,0.372,0.59,1.0,0.5483345898156398,0.5793468576519772,0.6805051058871907,0.6777122883969571,0.6214747104379412
EOS-3-45804,Fc1ccccc1-c1nnc2cncc(OCc3ccnc(-c4ccc(Br)nc4)c3)n12,LKKOVTGQTNDYFY-UHFFFAOYSA-N,3,1,0.512,97,666,477.297,4.729,5,0.341,0.76,1.0,0.8120159687478583,0.8392502227400452,0.8247121513261599,0.812512850387225,0.8221227983003221
EOS-3-45805,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)cc1F,RBVQOFUBBXXOLA-UHFFFAOYSA-N,3,1,0.389,45,102,454.362,5.27,5,0.346,0.74,0.728,0.4161383729696388,0.7143273250633952,0.9825234733739977,0.9816239462682476,0.7736532794188199
EOS-3-45806,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)ns1,HAIYFSMBIUEBSG-UHFFFAOYSA-N,3,1,0.512,16,921,453.89,4.385,5,0.364,0.65,1.0,0.6207336714412994,0.5692807209923926,0.5236961140429032,0.5416780892330889,0.563847148927421
EOS-3-45807,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)s2)ccn1,JVWNTWMVFXLCJD-UHFFFAOYSA-N,3,1,0.292,32,174,422.473,5.237,6,0.387,0.74,1.0,0.14582619422931944,0.12738160509903365,0.6349890343362347,0.6488760194640532,0.3892682132821602
EOS-3-45808,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)nc(C)c5F)n34)ccn2)o1,OGWYGYGXLHSTEE-UHFFFAOYSA-N,3,1,0.457,75,43,451.849,4.225,5,0.366,0.59,1.0,0.7408248235213488,0.6610410527037215,0.592942567336029,0.5150777876773354,0.6274715578096086
EOS-3-45809,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)nn2C)cn1,JXVBECVCZXQSIL-UHFFFAOYSA-N,3,1,0.442,31,569,414.433,1.702,5,0.408,0.63,0.963,0.28007847303132066,0.05259235144952368,0.05922315125762456,0.03778013844150504,0.10741852854499348
EOS-3-45810,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)cc2)s1,ATKAYEGCMXJINJ-UHFFFAOYSA-N,3,1,0.329,69,894,439.529,5.1,6,0.38,0.7,1.0,0.05150435199780687,0.12378349667603317,0.5572184908505243,0.5896014666575287,0.3305269515454733
EOS-3-45811,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3ccc(F)nn3)n12,YBLXKVQTDVGDCY-UHFFFAOYSA-N,3,1,0.454,31,456,459.445,2.511,5,0.358,0.51,1.0,0.6010554451374135,0.49591357686244947,0.10702659173463094,0.06695051744225892,0.3177365327941882
EOS-3-45812,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cn(-c5c(F)cccc5F)nn4)n23)cc1,YALXFRASQMDMAR-UHFFFAOYSA-N,3,1,0.561,89,398,488.458,3.121,6,0.375,0.81,1.0,0.3195891302857926,0.24376327873346584,0.2780052772256871,0.359913645397848,0.30031783291069836
EOS-3-45813,Cc1cnc(-c2cnc(Cl)c(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)nn1,RLYRFMPHFOKQAI-UHFFFAOYSA-N,3,1,0.478,4,875,466.292,3.628,5,0.358,0.6,1.0,0.4921012953190323,0.6033513809882805,0.2852357617709547,0.37612226715098346,0.4392026763073127
EOS-3-45814,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)s5)n34)cc2)n1,ZEZCYEFNHBZQKH-UHFFFAOYSA-N,3,1,0.319,38,983,443.517,5.002,6,0.378,0.67,1.0,0.25577410732643413,0.23839181687341512,0.24879206360084985,0.24586217531354945,0.24720504077856215
EOS-3-45815,CC(C)(N)c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccccc4)n23)cn1,CPNMROIZIVMPNZ-UHFFFAOYSA-N,3,1,0.341,98,880,409.457,2.899,5,0.481,0.71,0.193,0.13259029538756767,0.05260091837434035,0.23098142690699747,0.15847097525872114,0.14366090398190665
EOS-3-45816,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)n4)n23)c1F,IPNRQCXNERZWSW-UHFFFAOYSA-N,3,1,0.402,46,564,441.398,3.701,5,0.384,0.56,1.0,0.7348708107737647,0.6411400863546022,0.6884209444177918,0.6836834349941745,0.6870288191350833
EOS-3-45817,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccc1F,OBDVRIMXTSBJII-UHFFFAOYSA-N,3,1,0.473,26,911,451.412,4.066,5,0.362,0.58,1.0,0.770295044890686,0.690194297854842,0.8692858611472826,0.8285587005688438,0.7895834761154136
EOS-3-45818,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3c(-c4ccc(F)cc4)nc(C)n3C)n12,UMPMTLKNUJJSHR-UHFFFAOYSA-N,3,1,0.36,96,46,432.89,5.268,5,0.389,0.73,1.0,0.2719998629292029,0.4337005688438078,0.6857737646494414,0.7739873894866699,0.5413653964772805
EOS-3-45819,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)n(C)n5)nc4)n23)nc1,JLDTYSRCZFKGOH-UHFFFAOYSA-N,3,1,0.459,33,760,412.457,3.178,5,0.437,0.69,1.0,0.27708004934548697,0.08879617572476184,0.19906106504009322,0.11634740593516552,0.17032117401137686
EOS-3-45820,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)ccc1F,YAVYOCLSZWQHFH-UHFFFAOYSA-N,3,1,0.54,37,545,461.476,4.103,5,0.379,0.6,1.0,0.5483431567404564,0.5895243643341787,0.6830580494825578,0.5805633609759441,0.6003722328832842
EOS-3-45821,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4c(-c5ncc(Cl)nn5)ncn4C)n23)nc1,YPNWRXKQXNZSBH-UHFFFAOYSA-N,3,1,0.286,99,841,471.876,1.888,6,0.373,0.53,0.658,0.11035912548831471,0.2080906037968611,0.01787060516756905,0.03248577890480433,0.09220152833938729
EOS-3-45822,Cn1cnc(-c2nc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)ccc2F)c1,GSNRIZIECIFVHQ-UHFFFAOYSA-N,3,1,0.448,18,698,468.855,3.535,5,0.352,0.61,0.938,0.6775152491261737,0.6513518607360702,0.5865602083476116,0.6108988417517648,0.6315815399904051
EOS-3-45823,Cc1ccc(-c2c[nH]nn2)cc1Cc1cncc2nnc(-c3cc(F)c(Cl)cc3F)n12,YFCCGPFURBBNBF-UHFFFAOYSA-N,3,1,0.337,45,358,437.841,4.407,5,0.421,0.54,0.694,0.38320711397436774,0.4818038516893976,0.9189483243095059,0.929854019601124,0.6784533273935989
EOS-3-45824,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cncn6C)cn5)n34)sn2)cn1,AOIIKQBYPMKOLD-UHFFFAOYSA-N,3,1,0.406,6,549,470.522,3.023,6,0.365,0.6,0.999,0.24000239873894866,0.13771331642793502,0.15995305325200465,0.10916832293879788,0.16170927283942155
EOS-3-45825,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccs4)n23)s1,MRWRHQNKPUIKNG-UHFFFAOYSA-N,3,1,0.266,76,114,443.521,3.834,6,0.408,0.54,0.582,0.030035638407237338,0.045379000753889384,0.038885271742855186,0.06356658213967514,0.044466623260914266
EOS-3-45826,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cnn2)cn1,QMVVDDWMSIGRHK-UHFFFAOYSA-N,3,1,0.5,87,778,444.886,3.622,5,0.391,0.49,1.0,0.6556781577684874,0.7507881570831334,0.40351072578987046,0.4074343773559043,0.5543528544993489
EOS-3-45828,Clc1cnc(-c2nncc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)n2)nc1,CVXAYVQBOHDVRS-UHFFFAOYSA-N,3,1,0.262,86,953,466.856,2.606,6,0.377,0.49,0.785,0.20712254129257762,0.20809917072167775,0.04804331437187307,0.1115584949626482,0.14370588033719417
EOS-3-45829,COc1ncc(F)c(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)n1,ZVVAOCGVIWOZOP-UHFFFAOYSA-N,3,1,0.462,51,946,480.41,3.703,5,0.344,0.71,1.0,0.914613460352272,0.8703138921252828,0.652902474127887,0.5317575902953876,0.7423968542252073
EOS-3-45830,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccco5)n34)cn2)cn1,JKBZLNCOSCNHOB-UHFFFAOYSA-N,3,1,0.59,87,796,409.409,3.334,5,0.419,0.78,1.0,0.8735350558563498,0.7051435816599273,0.5270971831951203,0.45501507778767736,0.6401977246247688
EOS-3-45831,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cnc2F)nc1,PYXFCZBHNXXUBC-UHFFFAOYSA-N,3,1,0.516,65,262,466.839,3.591,5,0.35,0.58,1.0,0.9172863408950723,0.9180659310533891,0.6235093550818998,0.6544873552189706,0.778337245562333
EOS-3-45832,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ccc(-c4cncs4)cc3)n12,ANENUWSESZBRLN-UHFFFAOYSA-N,3,1,0.342,69,30,451.49,5.178,6,0.367,0.66,1.0,0.31959769721060927,0.48181241861421426,0.7250445480090467,0.7384089507230485,0.5662159036392297
EOS-3-45833,Cc1nc(-c2nc(C)n(C)c2-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)n(C)n1,VAUXVEABQODYCA-UHFFFAOYSA-N,3,1,0.299,98,890,466.513,2.4,6,0.388,0.5,1.0,0.0752090329655267,0.04169522308272223,0.008087177026934412,0.004600438626550614,0.032397967925433487
EOS-3-45834,c1cnc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)n2)nc1,CXEGTKRSKCXXPM-UHFFFAOYSA-N,3,1,0.296,86,899,419.412,2.286,6,0.423,0.51,1.0,0.011625316976218217,0.03199746419025427,0.07146528682064286,0.09255705571927901,0.051911280926598594
EOS-3-45835,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nncn6C)nc5)n34)ncn2)cn1,LCMKZZCTLNGNIL-UHFFFAOYSA-N,3,1,0.414,80,816,478.48,2.116,6,0.346,0.61,1.0,0.29653553560413953,0.19412651634569256,0.0632838736207251,0.03912514563772188,0.14826776780206977
EOS-3-45836,Clc1cc(-c2cncc(-c3nnc4cncc(COCc5cccc(Cl)n5)n34)c2)ccn1,MGHSZOVYGYEPKV-UHFFFAOYSA-N,3,1,0.38,14,767,464.316,4.667,5,0.338,0.69,1.0,0.36943149886916593,0.35862003975053114,0.754874580220684,0.8125214173120416,0.5738618840381057
EOS-3-45837,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cncnn5)c4)n23)nc1,XRWCCJBIBHKJKA-UHFFFAOYSA-N,3,1,0.383,53,915,418.808,2.061,5,0.418,0.49,0.999,0.652671167157837,0.6610496196285381,0.19906963196490987,0.2639469536015352,0.4441843430882051
EOS-3-45838,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(F)c5)cs4)n23)cn1,MAWRRCYQMJGOJV-UHFFFAOYSA-N,3,1,0.31,86,812,454.494,4.516,6,0.389,0.59,0.996,0.22911383729696388,0.34422760605852926,0.5133986704132685,0.5283308203687205,0.4037677335343705
EOS-3-45839,Cc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(-c2cccc(F)c2)n1,XFDMTBZKAHPMSX-UHFFFAOYSA-N,3,1,0.56,11,684,460.9,4.971,5,0.333,0.74,1.0,0.9265471866218902,0.9502775683640601,0.7548831471455006,0.7789904735796038,0.8526745939277637
EOS-3-45840,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5F)n34)nc2)n1,ZLCLUHOQRKMGIZ-UHFFFAOYSA-N,3,1,0.338,42,321,455.478,5.079,6,0.366,0.7,1.0,0.3786152422726338,0.4245510931396066,0.5405986567061888,0.5643461722979919,0.4770277911041053
EOS-3-45841,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccc2Cl)s1,WGOAGGQEWVMEMV-UHFFFAOYSA-N,3,1,0.548,4,712,470.345,4.899,5,0.361,0.77,1.0,0.5837673908573778,0.8289356452607772,0.49567370296758273,0.6078318826673977,0.629052155438284
EOS-3-45842,N#Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)ccc1F,SRYBLCGJQXWPAS-UHFFFAOYSA-N,3,1,0.533,35,393,438.426,3.276,5,0.397,0.49,1.0,0.8491021862792132,0.8617298334589816,0.7548917140703173,0.7275546569803304,0.7983195976972106
EOS-3-45843,COc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,MLLSLGSFZFHUCL-UHFFFAOYSA-N,3,1,0.568,72,669,465.926,3.988,5,0.332,0.67,1.0,0.4723459666917963,0.5413182783907888,0.47855698718388046,0.42664142279487355,0.4797156637653348
EOS-3-45844,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1Cl,POYDIXGINMMJOC-UHFFFAOYSA-N,3,1,0.518,16,353,470.295,4.612,5,0.349,0.67,1.0,0.8626293605647317,0.8094801590021246,0.8517664998971969,0.864916729490782,0.8471981872387088
EOS-3-45845,c1csc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6cc[nH]n6)c5)n34)cc2)c1,JPQASHZGEMKIJR-UHFFFAOYSA-N,3,1,0.286,38,57,421.489,4.972,6,0.434,0.68,1.0,0.1706617092728394,0.2283342471386471,0.6529110410527037,0.6718096771982729,0.43092916866561576
EOS-3-45846,Cc1cc(-c2nnc3cncc(-c4cnn(C5CCOC5)n4)n23)cc(-c2ccc(F)cn2)n1,FQIBFIVMUQEPTF-UHFFFAOYSA-N,3,1,0.274,50,974,443.446,2.916,6,0.417,0.53,0.295,0.17602460420807348,0.15285107257898706,0.032091700363237614,0.09067233225961209,0.11290992735247755
EOS-3-45847,CCc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc1-c1nccn1C,BEUPIBKNVOWJEE-UHFFFAOYSA-N,3,1,0.378,46,564,464.892,3.916,5,0.376,0.57,0.95,0.5379343430882051,0.5093208142005345,0.3852974436296347,0.395063737920636,0.45690408470975263
EOS-3-45848,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc6ccccc6n5C)nc4)n23)nc1,IAWGGQSCFXEVEQ-UHFFFAOYSA-N,3,1,0.257,70,179,485.515,3.598,7,0.371,0.73,0.984,0.07708518950037695,0.06019121376190802,0.13863854430813516,0.1584795421835378,0.10859862243848947
EOS-3-45849,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)nc1-c1cncnc1,OGLDLUMHXJFTJB-UHFFFAOYSA-N,3,1,0.423,28,414,476.475,4.423,6,0.348,0.7,0.999,0.5404615859091221,0.5231649647042698,0.6025803577547804,0.6045678843122473,0.5676936981701048
EOS-3-45850,COc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1nccs1,YRROELKGFHKXBZ-UHFFFAOYSA-N,3,1,0.625,1,209,435.896,5.369,5,0.369,0.79,1.0,0.7617623877732849,0.7635871427592351,0.7277088616270304,0.7032502912754438,0.7390771708587486
EOS-3-45851,NC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OCc4cccc(Cl)c4)n23)c(F)c1,QRCPJQLCKXXZBC-UHFFFAOYSA-N,3,1,0.4,62,504,474.883,4.324,5,0.392,0.6,1.0,0.45327599204989377,0.5004369131656501,0.7909670344733054,0.7642981975190186,0.627244534301967
EOS-3-45852,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)c2)[nH]n1,QBNAFAVRNLJWQK-UHFFFAOYSA-N,3,1,0.516,15,438,449.877,4.299,5,0.388,0.58,1.0,0.864711123295182,0.8356863820163114,0.7145157974093619,0.7197844561716127,0.7836744397231169
EOS-3-45853,Cc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)n[nH]1,WQUIPNMDRHAEMI-UHFFFAOYSA-N,3,1,0.396,55,283,419.836,2.907,5,0.432,0.56,0.971,0.5071619491467343,0.6560808032348708,0.20256493729011035,0.21962168460009596,0.3963573435679529
EOS-3-45854,COc1ncc(C)nc1-c1cc(COc2cncc3nnc(-c4ccc(C)cc4F)n23)ncn1,NLGNBNRPOQDQOA-UHFFFAOYSA-N,3,1,0.429,7,463,458.457,3.382,5,0.378,0.53,1.0,0.592711260365979,0.6222928517579329,0.26285895414981836,0.17999965732300732,0.4144656808991844
EOS-3-45855,Cc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ncnn5C)c4)n23)n1,OCZZARKGFISHEX-UHFFFAOYSA-N,3,1,0.478,31,359,414.433,1.702,5,0.408,0.65,0.999,0.3694400657939826,0.1528596395038037,0.027594064834487012,0.01576314166266877,0.1414142279487355
EOS-3-45856,CCn1c(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5)n34)cc2F)nc(C)c1C,PUCGZRVGRPAGJV-UHFFFAOYSA-N,3,1,0.494,16,677,457.513,4.713,5,0.367,0.68,1.0,0.6319734768007675,0.5551538619697074,0.33639743677609485,0.2488263313001165,0.4430877767116716
EOS-3-45857,Cc1cc(C)n(Cc2cncc3nnc(-c4cc(F)c(-c5ccnc(Cl)c5)c(F)c4)n23)n1,SHOWVKXMJNYVLX-UHFFFAOYSA-N,3,1,0.351,14,81,451.868,4.647,5,0.372,0.62,1.0,0.2910698375711055,0.3917397710917689,0.7277174285518471,0.7811664724830375,0.5479233774244398
EOS-3-45858,COc1cc(-c2nnc3cncc(Oc4ccc(-c5nnco5)nc4)n23)ccc1-c1nc[nH]c1C,QQEUQUWFXLZIPP-UHFFFAOYSA-N,3,1,0.38,81,870,467.449,3.736,6,0.385,0.56,1.0,0.4183743403467891,0.172580700431773,0.2962099924611062,0.1770012336371736,0.2660415667192105
EOS-3-45859,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccsc6)cn5)n34)s2)nc1,CYHNBHYYEVFJJV-UHFFFAOYSA-N,3,1,0.407,80,34,470.543,4.407,6,0.353,0.67,1.0,0.314654581591392,0.22333972997052978,0.16307141388527174,0.15569529161812076,0.21419025426632857
EOS-3-45860,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)c2)cnc1Cl,VLYPAXOEUUJAEQ-UHFFFAOYSA-N,3,1,0.575,35,234,460.9,4.971,5,0.333,0.72,1.0,0.9360136385443081,0.9491296004386266,0.8466349119320129,0.8387019395517785,0.8926200226166815
EOS-3-45861,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6ccon6)cn5)n34)cc2)n1C,VVXNNZCMSLVOGY-UHFFFAOYSA-N,3,1,0.422,40,518,465.477,3.524,6,0.363,0.58,1.0,0.45782502912754436,0.3294153930505106,0.22723768076211362,0.15303954492495375,0.2918794119662806
EOS-3-45862,Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cnc(C#N)c(C)c5)c4)n23)c(C)n1,ODNFIDRTRXSYRX-UHFFFAOYSA-N,3,1,0.495,4,253,465.492,4.763,5,0.369,0.65,1.0,0.9117264066890549,0.8134552121170585,0.7826142827770544,0.660201494071688,0.791999348913714
EOS-3-45863,N#Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc2F)c1,CBLKVPUJLCWSSI-UHFFFAOYSA-N,3,1,0.408,58,954,472.871,3.929,5,0.341,0.65,0.516,0.8735436227811665,0.8891439928723186,0.6667466246316223,0.7005945445822768,0.7825071962168461
EOS-3-45864,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cnc2Cl)ccn1,ONZMNAHNIKIKGC-UHFFFAOYSA-N,3,1,0.444,4,208,469.267,4.063,5,0.355,0.63,1.0,0.7290710026728805,0.8617384003837982,0.7302018367486807,0.7926461517373724,0.778414347885683
EOS-3-45865,c1nc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6csnn6)ns5)n34)cn2)n[nH]1,JFOSKJPXYMONJN-UHFFFAOYSA-N,3,1,0.417,55,584,461.496,2.525,6,0.392,0.56,1.0,0.36024775546569804,0.39174833801658554,0.03346240833390446,0.03467034473305462,0.20503221163731067
EOS-3-45866,Cc1nnc(-c2cc(CO)cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)n1C,MYFOKQPYYTUSHS-UHFFFAOYSA-N,3,1,0.512,15,669,476.928,3.057,5,0.356,0.68,1.0,0.514598039887602,0.42900589404427386,0.30345761085600714,0.28741176067438834,0.3836183263655678
EOS-3-45868,Cc1ccc(-c2nnc3cncc(CCCc4nc(-c5nnc(C)o5)ccc4Cl)n23)nc1,WGJDIEOXGGBWGW-UHFFFAOYSA-N,3,1,0.366,85,60,446.902,4.077,5,0.384,0.55,0.762,0.28266568432595435,0.41092111575628815,0.04644129943115619,0.08866767185251183,0.2071739428414776
EOS-3-45869,Fc1cc(Cc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4F)n23)ccc1Cl,ILFRFCSQLSHFIG-UHFFFAOYSA-N,3,1,0.364,45,358,469.282,5.424,5,0.352,0.78,1.0,0.5021502981289836,0.7097011856623946,0.9625368377767116,0.9793451442670139,0.7884333664587759
EOS-3-45870,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)nc1-c1nnco1,YRWJOBPITXMYKU-UHFFFAOYSA-N,3,1,0.42,6,826,468.412,2.806,6,0.356,0.56,0.781,0.49210986224384895,0.38256459461311765,0.2061716126379275,0.21114042903159483,0.3229966246316222
EOS-3-45871,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc(C)n1,OLUXTDBSDXCYRO-UHFFFAOYSA-N,3,1,0.443,26,624,464.892,4.145,5,0.372,0.59,0.999,0.43013672812007403,0.4290144609690905,0.46837091357686245,0.44237029675827566,0.44247309985607564
EOS-3-45872,Cc1ncncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)[nH]c(=O)c1,ZLRCZEXCQSIDML-UHFFFAOYSA-N,3,1,0.408,35,578,460.885,2.915,5,0.383,0.55,0.917,0.33461551641422793,0.23840038379823178,0.4544325269001439,0.4330152148584744,0.3651159104927695
EOS-3-45873,COc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)nc3)n12,QUEQSEPORFCCKV-UHFFFAOYSA-N,3,1,0.312,39,495,481.455,2.649,6,0.338,0.68,0.997,0.2613426084572682,0.2845161400863546,0.16623260914262217,0.17437118771845658,0.2216156363511754
EOS-3-45874,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c(Cl)n2)ccn1,BMXKBDRHCCCWNG-UHFFFAOYSA-N,3,1,0.449,59,143,469.814,4.293,5,0.354,0.64,1.0,0.8399098759509287,0.9122489891028717,0.9095761085600713,0.9128401069152217,0.8936437701322733
EOS-3-45875,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)ns1,SZUKUWVKILSGLS-UHFFFAOYSA-N,3,1,0.471,2,131,454.878,3.78,5,0.395,0.58,1.0,0.4672315125762456,0.5321002672880543,0.3034661777808238,0.3633404153245151,0.4165345932424097
EOS-3-45876,Cc1cc(-c2nnc3cncc(OCc4nccnc4-c4ccncn4)n23)ccc1F,LASZAIQNNCXCRT-UHFFFAOYSA-N,3,1,0.462,7,486,414.404,3.065,5,0.432,0.6,1.0,0.7818603933931876,0.7143358919882119,0.39252792817490234,0.36963710506476594,0.5645903296552669
EOS-3-45878,Cc1ccc(F)c(-c2nn(C)cc2-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1,IQPODLMNTCBWJX-UHFFFAOYSA-N,3,1,0.308,30,945,462.492,4.763,6,0.375,0.61,1.0,0.11878041258309917,0.25363237612226713,0.47498457953533,0.4979953395928997,0.336348176958399
EOS-3-45880,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnc(Cl)nc5F)c4)n23)c1,XXVYOCWKUMFZBE-UHFFFAOYSA-N,3,1,0.553,59,183,451.824,4.154,5,0.293,0.72,1.0,0.9187255842642725,0.8865824823521349,0.8354722088958947,0.8425741895689124,0.8708386162703037
EOS-3-45881,Cc1nnc(-c2cccc(-c3nnc4cncc(Oc5ccc(C#N)cc5)n34)c2)s1,DDZWTEIOYZMICO-UHFFFAOYSA-N,3,1,0.506,72,374,411.45,4.282,5,0.435,0.79,1.0,0.6291892262353506,0.5942361729833459,0.5028185182646837,0.4917414844767322,0.5544963504900281
EOS-3-45882,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5nc(Cl)cc(C(F)(F)F)n5)n34)cc2)nc1,VXXUTDISSVVXPX-UHFFFAOYSA-N,3,1,0.367,27,856,472.793,4.517,5,0.281,0.82,1.0,0.40080357754780344,0.6083116304571311,0.9280292646151738,0.8908059762867521,0.7069876122267151
EOS-3-45883,Fc1cc(-c2nnc3cncc(OCc4nnc(-c5cccc(Cl)n5)s4)n23)ccc1Cl,JLSUMRSBGOFRCW-UHFFFAOYSA-N,3,1,0.54,34,391,474.308,4.73,5,0.34,0.8,1.0,0.7958501816188062,0.9011633883901035,0.5336680145295045,0.7144900966349119,0.7362929202933315
EOS-3-45884,OCc1cnccc1COc1cncc2nnc(-c3cnnc(-c4ccc(F)nc4)c3)n12,HDIJVNAULLDSGX-UHFFFAOYSA-N,3,1,0.429,55,875,430.403,2.249,5,0.404,0.54,0.997,0.6319820437255843,0.5460215201151395,0.5834504146391611,0.5080443424028511,0.567374580220684
EOS-3-45885,N#Cc1cc(F)cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)ccn2)c1,KSFYLWPFKDGUFR-UHFFFAOYSA-N,3,1,0.505,59,526,475.846,4.631,5,0.365,0.69,1.0,0.8225361524227264,0.8461037625933795,0.9336406003700911,0.9419248166678089,0.8860513330135014
EOS-3-45886,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)n1,PGGSOXHZZTWIQH-UHFFFAOYSA-N,3,1,0.5,58,28,434.46,3.169,5,0.376,0.55,1.0,0.6526797340826537,0.6852683160852581,0.15060653827702009,0.13397813720786786,0.40563318141319993
EOS-3-45887,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)c(Cl)c(F)c5)ns4)n23)cc1,OPMFBTVSVIXJMV-UHFFFAOYSA-N,3,1,0.375,45,837,483.891,4.268,5,0.383,0.75,1.0,0.2744157357275033,0.3586286066753478,0.6382615996162018,0.6544959221437873,0.48145046604071007
EOS-3-45888,Clc1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5Cl)nn4)n23)cc1Cl,DMZDUHLNSLBJNR-UHFFFAOYSA-N,3,1,0.625,34,612,472.723,4.911,5,0.361,0.76,1.0,0.41838290727160576,0.7552686587622507,0.8055393735864574,0.9083767390857378,0.721891919676513
EOS-3-45889,Cc1scnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c(F)c1,CIMCJDHQOCKZQS-UHFFFAOYSA-N,3,1,0.346,9,867,455.478,5.079,6,0.366,0.67,1.0,0.36704989377013225,0.4290230278939072,0.5929511342608458,0.5805719279007607,0.49239899595641146
EOS-3-45890,Fc1cc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncc1-c1ncc(Cl)nc1F,DGHXUJBGYNECBL-UHFFFAOYSA-N,3,1,0.474,13,575,472.242,5.021,5,0.363,0.71,1.0,0.8942070454389692,0.9660664108011788,0.8748029607292166,0.9128486738400384,0.9119812727023507
EOS-3-45891,Cn1nc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1cnc(CO)cn1,APMJGUDDTCZDGJ-UHFFFAOYSA-N,3,1,0.387,31,658,430.432,0.886,5,0.395,0.53,1.0,0.2234082653690631,0.038011445411555066,0.03084949626482078,0.0207576588307861,0.07825671646905626
EOS-3-45892,CCc1nc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1-c1cn(C)nc1C,QPLHAXZJJOGQMI-UHFFFAOYSA-N,3,1,0.398,31,717,462.464,3.71,5,0.38,0.55,0.966,0.3854687821259681,0.3151514632307587,0.4072544719347543,0.3406209307107121,0.3621239120005483
EOS-3-45893,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccs5)n4)n23)cc1,XEZFEQSEFFAZSK-UHFFFAOYSA-N,3,1,0.426,89,408,485.529,3.017,6,0.374,0.75,1.0,0.4532845589747104,0.20325029127544378,0.19907819888972655,0.14563772188335275,0.25031269275580836
EOS-3-45894,COCc1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)ccn4)n23)cn1,KCBMLDFNSDAWQL-UHFFFAOYSA-N,3,1,0.369,82,478,413.416,3.596,5,0.407,0.68,1.0,0.36463402097183195,0.4510657254471935,0.6616493043657049,0.6140000685353986,0.5228372798300323
EOS-3-45895,CCc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)ccn2)nc(C)n1,CJJNRBQKUFQKFV-UHFFFAOYSA-N,3,1,0.295,38,608,471.528,4.638,6,0.358,0.65,1.0,0.282674251250771,0.1110530463984648,0.2740816256596532,0.2252244534301967,0.22325834418477145
EOS-3-45896,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nc2F)nc1,DVGLIKMYDWNCOI-UHFFFAOYSA-N,3,1,0.402,73,564,470.802,3.688,5,0.358,0.58,1.0,0.8775186758961003,0.8173445959838257,0.7591580426290179,0.7903673497361388,0.8110971660612707
EOS-3-45897,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccns5)n34)c2)cn1,JTUPTEXAYCAACP-UHFFFAOYSA-N,3,1,0.506,16,256,419.445,3.731,5,0.429,0.57,1.0,0.5431087656774725,0.560371119183058,0.4471506408059763,0.41397950791583854,0.49115250839558633
EOS-3-45898,Cc1cc(C)c(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(Cl)c6)nn5)n34)cc2)nn1,LPFSUEYUPWKIST-UHFFFAOYSA-N,3,1,0.315,3,39,479.935,4.766,6,0.359,0.75,1.0,0.01744225892673566,0.2081077376464944,0.44715920773079293,0.515086354602152,0.29694888972654376
EOS-3-45899,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)nc1,CAKOXTUNXGLIHY-UHFFFAOYSA-N,3,1,0.247,86,588,460.483,3.424,6,0.389,0.53,0.879,0.09323384277979577,0.16834863957233911,0.053706051675690494,0.10478205743266397,0.10501764786512233
EOS-3-45900,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(=O)n(C)s5)n34)cn2)cnc1Cl,BSMDSJIXCZDNLT-UHFFFAOYSA-N,3,1,0.441,55,283,466.914,2.944,5,0.388,0.55,1.0,0.39864471249400313,0.45107429237201013,0.09441607840449592,0.10692378863683093,0.26276471797683504
EOS-3-45901,Fc1cnc(Cl)c(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccc2F)c1,VQUMZULVUBKGJJ-UHFFFAOYSA-N,3,1,0.59,35,595,464.863,4.801,5,0.336,0.68,1.0,0.9729970529778631,0.9709409910218628,0.9228719758755397,0.9246024946885066,0.9478531286409431
EOS-3-45902,Cn1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc(-c2cnc(CO)cn2)c1=O,FRCDTLOXOHOIMU-UHFFFAOYSA-N,3,1,0.448,65,552,474.456,1.595,5,0.349,0.63,1.0,0.36705846069494896,0.14504660407100267,0.30347474470564045,0.25185045576040027,0.26685756630799806
EOS-3-45903,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncc(F)c5)s4)n23)cc1,IEMLJELLRKAFAC-UHFFFAOYSA-N,3,1,0.474,89,656,487.52,3.92,6,0.371,0.81,1.0,0.4623140977314783,0.2179597011856624,0.20618017956274415,0.24014803646083202,0.2816505037351792
EOS-3-45904,Cn1c(F)cnc1-c1cccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,QUZNZYSYNPBOBD-UHFFFAOYSA-N,3,1,0.506,16,55,453.84,4.097,5,0.373,0.57,1.0,0.6834264272496745,0.6316307998081009,0.8099427729422246,0.7993797546432733,0.7310949386608183
EOS-3-45905,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(Cl)n1,DDYVCIFXTPRWCZ-UHFFFAOYSA-N,3,1,0.511,58,271,468.308,3.305,5,0.349,0.59,1.0,0.507170516071551,0.5845641148653279,0.3217736961140429,0.4139880748406552,0.4568741004728943
EOS-3-45906,Cc1cnc(-c2cnc(-c3nnc4cncc(OCc5ccc(F)s5)n34)cc2Cl)nc1,GEQXDGBPIHCDRZ-UHFFFAOYSA-N,3,1,0.429,46,128,453.89,4.385,5,0.39,0.57,1.0,0.7731221300801864,0.737517990542115,0.4683794805016791,0.5014392433692002,0.6201147111232952
EOS-3-45907,Clc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c1,LKGIIRHRCPUNJN-UHFFFAOYSA-N,3,1,0.554,35,883,463.328,5.177,5,0.323,0.77,1.0,0.9621855938592283,0.9642844904393119,0.8303748886299774,0.8742032759920499,0.9077620622301419
EOS-3-45908,Fc1cnc(-c2ccc(F)c(-c3cncc4nnc(-c5cnccc5-c5ccccc5)n34)c2)nc1,LUXKFLXUYXCELC-UHFFFAOYSA-N,3,1,0.329,41,192,463.451,5.256,6,0.355,0.71,1.0,0.3763964087451169,0.45563189637447743,0.8419145363580289,0.8729439380439997,0.6367216948804058
EOS-3-45909,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nn1,FKVGJUPJARHEGI-UHFFFAOYSA-N,3,1,0.404,53,466,412.417,1.758,5,0.406,0.63,0.979,0.4116835720649716,0.2437718456582825,0.053714618600507164,0.045370433829072715,0.1886351175382085
EOS-3-45910,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5cccnc5)c4)n23)c1,NITYAOMLAPCSCE-UHFFFAOYSA-N,3,1,0.54,35,352,460.9,4.971,5,0.333,0.73,1.0,0.967839764238229,0.9601723665273113,0.8338016585566445,0.842582756493729,0.9010991364539785
EOS-3-45911,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cc1F,LADJMVHYXHPFPO-UHFFFAOYSA-N,3,1,0.398,46,395,450.459,2.964,5,0.369,0.54,1.0,0.4072459050099376,0.3729182372695497,0.25940648344870126,0.2196302515249126,0.31480021931327534
EOS-3-45912,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5F)n34)cn2)c1,IKYVWAXJMROTTQ-UHFFFAOYSA-N,3,1,0.329,32,20,459.488,5.425,6,0.35,0.76,1.0,0.3196062641354259,0.459898224933178,0.8077068055650743,0.7950106229867727,0.5955554794051128
EOS-3-45913,Cn1ncnc1-c1nccnc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,VLTVPYFZDYAXGJ-UHFFFAOYSA-N,3,1,0.419,7,45,420.824,2.004,5,0.393,0.56,0.953,0.37640497566993353,0.5184103214310192,0.04470221369337263,0.07638270166541018,0.25397505311493385
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EOS-3-45915,N#Cc1ccc(-c2nnc3cncc(Oc4nnc(-c5ccccn5)cc4F)n23)cc1,NPSXRRLXFLYMLM-UHFFFAOYSA-N,3,1,0.477,72,706,410.372,3.446,5,0.442,0.7,1.0,0.8868394900966349,0.8758995271057501,0.6085686382016311,0.6045764512370639,0.74397102666027
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EOS-3-45917,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5cc(Cl)ccn5)c4)n23)cc1,NXJHXNPUDVNIPB-UHFFFAOYSA-N,3,1,0.649,57,709,448.313,5.739,5,0.343,0.82,1.0,0.9634449318072784,0.9681824412308958,0.9328610102117744,0.9560602426153109,0.9551371564663149
EOS-3-45918,COCc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)n1C,KGBJGKUSYOBBHV-UHFFFAOYSA-N,3,1,0.43,87,227,477.916,2.798,5,0.311,0.71,1.0,0.2937769858131725,0.32942395997532725,0.06946919333835926,0.09256562264409568,0.19630894044273867
EOS-3-45919,Cc1cc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccc5)n34)cn2)ccn1,QGFNNMILMBMBOU-UHFFFAOYSA-N,3,1,0.33,30,20,447.527,5.347,6,0.362,0.74,0.998,0.08157425810431088,0.1340466726064012,0.45068021383044343,0.467659858817079,0.28349025083955864
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EOS-3-45921,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)[nH]c5=N)n34)cn2)nn1,ABTMSASLTSHWRF-UHFFFAOYSA-N,3,1,0.28,30,541,446.478,3.217,6,0.428,0.58,0.718,0.019181344664519224,0.05635323144404085,0.27409019258446987,0.2609913645397848,0.15265403330820368
EOS-3-45922,FC(F)n1cc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)n1,XLNJNLGQDICFGV-UHFFFAOYSA-N,3,1,0.484,11,628,467.867,4.72,5,0.344,0.71,1.0,0.6010640120622301,0.7002090329655267,0.704483928449044,0.7197930230964293,0.6813874991433075
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EOS-3-45924,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)ccn2)c(F)n1,ZNRLGIOQTHURCX-UHFFFAOYSA-N,3,1,0.663,11,360,462.435,4.596,5,0.344,0.66,1.0,0.9645671989582619,0.9320642862038243,0.9023113563155369,0.8698341443355493,0.9171942464532931
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EOS-3-45934,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1F,DZWWSMDYZQGWHE-UHFFFAOYSA-N,3,1,0.675,88,70,464.451,4.714,5,0.349,0.67,1.0,0.9528390788842437,0.8786752107463505,0.9123517922006716,0.8895123706394352,0.9083446131176753
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EOS-3-45940,Fc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)ccc1-c1ncccc1F,GPXSQWFDJVHEFS-UHFFFAOYSA-N,3,1,0.529,34,799,467.386,4.438,5,0.341,0.65,1.0,0.7901189089164553,0.8587399766979645,0.9045387567678707,0.8783839353025837,0.8579453944212185
EOS-3-45941,FCc1cncc(-c2cc(-c3cncc4nnc(-c5ccccc5F)n34)nc(C(F)F)n2)n1,XIJWDRNYNSYAEC-UHFFFAOYSA-N,3,1,0.413,50,243,452.375,4.252,5,0.368,0.58,1.0,0.3646425878966486,0.555162428894524,0.6558237954903707,0.6631999177575217,0.5597071825097663
EOS-3-45942,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)n23)cc1F,QNYIWVMHCPPDKJ-UHFFFAOYSA-N,3,1,0.466,0,21,494.914,3.083,5,0.468,0.93,1.0,0.2234168322938798,0.13405523953121787,0.09219724487697896,0.21114899595641148,0.16520457816462203
EOS-3-45943,Clc1cc(Cl)nc(CCOc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)c1,YBNRDEDRTIZZIZ-UHFFFAOYSA-N,3,1,0.484,72,628,464.316,4.572,5,0.34,0.64,1.0,0.7818689603180042,0.8645997532725653,0.6444554862586526,0.7303560413953807,0.7553200603111507
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EOS-3-45948,COc1cc(-c2nnc3cncc(-c4ccnnc4-c4ccc(C(F)F)nc4)n23)ccc1Cl,LRAOMNZNRIDLLO-UHFFFAOYSA-N,3,1,0.322,96,121,465.851,4.91,5,0.364,0.66,0.998,0.48961688712219864,0.6852854499348914,0.909584675484888,0.8770217942567337,0.740377201699678
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EOS-3-45971,Cc1ccc(-c2cc(-c3cncc4nnc(-c5cc(Cl)c(C)cn5)n34)ncn2)nc1,JYRNBQUHXIBACH-UHFFFAOYSA-N,3,1,0.292,50,155,414.86,3.976,5,0.44,0.61,0.991,0.19592557055719279,0.22835138098828045,0.43252690014392436,0.455023644712494,0.3279568741004729
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EOS-3-45976,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)cc2)c1,ZISWHYIRGIPSNV-UHFFFAOYSA-N,3,1,0.329,64,885,463.451,5.256,6,0.355,0.73,1.0,0.2744328695771366,0.3729268041943664,0.8284387636214104,0.8826502638612843,0.5896121753135495
EOS-3-45977,Cc1cnc(-c2nnc3cncc(OCc4cccc(-c5cc(F)cnn5)c4)n23)cn1,GIQCPPRBGFLZSM-UHFFFAOYSA-N,3,1,0.43,46,348,414.404,3.065,5,0.432,0.57,1.0,0.6379103556987183,0.5184188883558358,0.432535467068741,0.407442944280721,0.4990769138510041
EOS-3-45978,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cn5)n34)ncn2)n1,ZPHUUCAJEAGGIV-UHFFFAOYSA-N,3,1,0.25,99,387,452.417,2.035,6,0.365,0.51,0.948,0.07521759989034336,0.1489531217874032,0.087451168528545,0.11856623946268248,0.1075470324172435
EOS-3-45979,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)nc2)c(F)c1,RISGMMUJPRBDKJ-UHFFFAOYSA-N,3,1,0.409,46,89,469.814,4.293,5,0.354,0.62,1.0,0.8735521897059831,0.8461123295181961,0.8941556438900692,0.9014375299842369,0.8788144232746213
EOS-3-45980,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc2C)s1,JNFRWYLWUCSCGF-UHFFFAOYSA-N,3,1,0.423,31,954,464.942,3.992,5,0.347,0.66,0.999,0.477460420807347,0.5646717154410252,0.0780532520046604,0.10062709889658009,0.30520312178740316
EOS-3-45981,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(F)c(F)c4)n23)c(F)n1,DJXFXRNQYMMUIG-UHFFFAOYSA-N,3,1,0.463,58,773,466.427,3.504,5,0.339,0.59,1.0,0.7012627647179769,0.6083201973819478,0.49568226989239944,0.4613631690768282,0.5666571002672881
EOS-3-45982,Fc1ccccc1-n1cnc(-c2cncc3nnc(-c4cncnc4-c4ccccc4Cl)n23)c1,FOYSCNFWRQOSHR-UHFFFAOYSA-N,3,1,0.333,30,515,468.883,4.894,6,0.366,0.69,0.999,0.12677335343705023,0.2487749297512165,0.7479096703447331,0.8463436364882462,0.4924503975053115
EOS-3-45983,CCc1nc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccc1-c1ncccn1,VRPFIPNTBVGPEE-UHFFFAOYSA-N,3,1,0.378,46,717,446.421,3.458,5,0.365,0.54,0.999,0.7166832293879789,0.5942447399081625,0.38530601055445135,0.35992221232266464,0.5140390480433144
EOS-3-45984,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4scnc4-c4ncnn4C)n23)cn1,WJUDALBKRBSTQH-UHFFFAOYSA-N,3,1,0.392,99,502,472.498,1.813,6,0.352,0.6,1.0,0.2826828181755877,0.22334829689534644,0.008506956342951134,0.005422863408950723,0.129990233705709
EOS-3-45985,Cc1cccc(-c2cnccc2-c2nnc3cncc(Cc4cc(Cl)cnc4Cl)n23)n1,QULPTDZDVGLGNH-UHFFFAOYSA-N,3,1,0.33,85,81,448.317,4.849,5,0.366,0.62,1.0,0.2881742169830718,0.3048968542252073,0.6913851004043589,0.7643067644438353,0.5121907340141183
EOS-3-45986,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)s3)n12,VUKDNWUKBUQWMG-UHFFFAOYSA-N,3,1,0.467,7,456,465.926,4.254,5,0.367,0.62,1.0,0.572596120896443,0.5895329312589953,0.2817747241450209,0.22523302035501336,0.41728419916386816
EOS-3-45987,CCn1nc(C)nc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncn1,DKGDQTVCXIUCKS-UHFFFAOYSA-N,3,1,0.426,92,185,464.44,3.08,5,0.358,0.58,0.905,0.33462408333904464,0.3964772805153862,0.12650777876773353,0.09861387156466316,0.23905575354670688
EOS-3-45988,Cc1ncc(-c2cc(-c3nnc4cncc(CCc5ccn(C)n5)n34)cnc2Cl)o1,WAODGKLSDVQHTJ-UHFFFAOYSA-N,3,1,0.337,85,580,420.864,3.322,5,0.402,0.63,1.0,0.15716023576177096,0.29995373860599,0.16624117606743882,0.17700980056199025,0.2000912377492975
EOS-3-45989,c1cc(-c2cncs2)nc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1,GFBWDKOPEXEYBV-UHFFFAOYSA-N,3,1,0.36,80,584,455.467,2.464,6,0.397,0.53,1.0,0.41386813789322185,0.4468936330614762,0.06133061476252485,0.050690494140223426,0.2431957199643616
EOS-3-45990,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(C)nn5)cn4)n23)cn1,JTLYLNPNWSKZNY-UHFFFAOYSA-N,3,1,0.545,92,205,411.429,2.629,5,0.43,0.68,1.0,0.39215098348296895,0.377758549790967,0.12951476937838394,0.08503529573024467,0.24611489959564115
EOS-3-45991,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ccc(Cl)nn5)nn4)n23)cc1,JTPZRLLFJFXXQZ-UHFFFAOYSA-N,3,1,0.286,10,356,472.835,2.474,6,0.376,0.52,0.793,0.015608937015968749,0.1414142279487355,0.14156843259543556,0.3093687889795079,0.15199009663491192
EOS-3-45992,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)nc2C)s1,YTNMOFAMHIZOBH-UHFFFAOYSA-N,3,1,0.419,46,565,449.927,4.554,5,0.363,0.66,1.0,0.4944914673428826,0.5603796861078747,0.37797272291138373,0.35028442190391335,0.44578207456651364
EOS-3-45993,Fc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cn5)n34)nc2)c1F,BOZPQZZGHISDFT-UHFFFAOYSA-N,3,1,0.296,32,687,454.4,4.244,6,0.364,0.57,0.92,0.31961483106024263,0.35361695565759715,0.737903502158865,0.7275717908299637,0.5346767699266671
EOS-3-45994,Cn1nncc1-c1ccc(-c2nnc3cncc(Oc4cccc(-c5nncs5)n4)n23)c(F)c1,ZPVVWXNATYUSFY-UHFFFAOYSA-N,3,1,0.356,71,622,472.469,3.432,6,0.371,0.62,1.0,0.469724487697896,0.5093293811253512,0.2345624014803646,0.23739805359468166,0.36275358097457333
EOS-3-45995,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5cncnn5)c4)n23)cn1,PATSSSBWCHBJIW-UHFFFAOYSA-N,3,1,0.427,80,816,468.506,3.079,6,0.363,0.58,1.0,0.42079021314508946,0.310011308340758,0.1630799808100884,0.1294719347543006,0.2558383592625591
EOS-3-45996,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnncc4-c4nc(-c5ccccc5)nn4C)n23)cc1,OYXDDOWUEDNURZ-UHFFFAOYSA-N,3,1,0.344,9,124,488.515,3.07,6,0.392,0.73,1.0,0.10786615036666439,0.06433760537317525,0.14736824069631965,0.11635597285998218,0.10898199232403537
EOS-3-45997,Cc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)nc1,AMJOFYINBCAOPL-UHFFFAOYSA-N,3,1,0.489,87,838,410.441,2.968,5,0.421,0.71,1.0,0.5670276197656089,0.39175690494140225,0.2594150503735179,0.2142073881159619,0.3581017407991227
EOS-3-45998,Cc1ccc(-c2nnc3cncc(Cc4cnc(Cl)c(OCc5ccc(F)c(F)c5)n4)n23)cn1,KJGJRXJHXJWNQH-UHFFFAOYSA-N,3,1,0.446,14,81,479.878,4.386,5,0.357,0.74,1.0,0.793014529504489,0.8324138167363443,0.7379120690836817,0.722303132067713,0.7714108868480569
EOS-3-45999,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)c(F)cc5C)cc4F)n23)cn1,IWLSWFCFCHIBFP-UHFFFAOYSA-N,3,1,0.398,96,46,431.421,5.554,5,0.376,0.76,1.0,0.4672400795010623,0.6316479336577342,0.9758412720169968,0.9713864711123296,0.7615289390720307
EOS-3-46000,COc1ccc(-c2cn(C)nn2)cc1-c1cncc2nnc(-c3ccc(C#N)cc3)n12,ZVTHJZHQAXEPFE-UHFFFAOYSA-N,3,1,0.405,61,124,408.425,3.134,5,0.45,0.8,1.0,0.19875265574669318,0.16438215338222192,0.6291292577616339,0.5416866561579056,0.3834876807621136
EOS-3-46001,CCn1ncc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)c1-c1ccc(F)cc1,BIIFXCQQKVBUKN-UHFFFAOYSA-N,3,1,0.367,9,867,464.508,4.881,6,0.363,0.67,1.0,0.18769275580837502,0.29501062298677266,0.5134072373380851,0.5350558563498047,0.38279161812075935
EOS-3-46002,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)ccn2)n1,HLAFLZXRYRAJRU-UHFFFAOYSA-N,3,1,0.545,75,359,451.853,2.791,5,0.362,0.52,0.981,0.5927198272907956,0.589541498183812,0.3254660407100267,0.3470461243232129,0.46369337262696186
EOS-3-46003,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(F)c5)n34)cnn2)cn1,JRGJRTFGOAJUNS-UHFFFAOYSA-N,3,1,0.548,59,391,435.369,3.64,5,0.389,0.51,1.0,0.939937290110342,0.932072853128641,0.8954835172366528,0.8855201836748681,0.913253461037626
EOS-3-46004,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c(Cl)c1,IRCVQWNEZOJIRE-UHFFFAOYSA-N,3,1,0.566,84,529,451.914,5.329,5,0.349,0.74,1.0,0.7789133712562538,0.8356949489411281,0.8561527654033309,0.8840038379823179,0.8386912308957577
EOS-3-46005,COc1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1-c1ncnn1C,WLMRSQHCIYWGMP-UHFFFAOYSA-N,3,1,0.475,36,482,481.879,2.799,5,0.345,0.65,1.0,0.535381399492838,0.5321088342128709,0.24505688438078269,0.22864265643204715,0.3852974436296347
EOS-3-46006,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc(Cl)nn6)nc5)n34)cn2)cn1,JXWCHKVTKFAMBV-UHFFFAOYSA-N,3,1,0.325,42,392,482.87,3.955,6,0.344,0.72,0.957,0.28818278390788843,0.4510828592968268,0.4749931464601467,0.545002056061956,0.4398152114317045
EOS-3-46007,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(OC)ccn4)n23)cnc1OC,PABGPMPZOHQRJQ-UHFFFAOYSA-N,3,1,0.446,26,456,472.509,3.103,5,0.319,0.64,0.987,0.2557826742512508,0.029110410527037216,0.18237269549722432,0.06519429785484203,0.13311501953258859
EOS-3-46008,CC(=O)Oc1cn(C)nc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)c(F)c3)n12,UFMYFYHWAQLTBY-UHFFFAOYSA-N,3,1,0.322,96,478,447.405,3.457,5,0.307,0.66,1.0,0.2937855527379892,0.3964858474402029,0.5961465972174628,0.5182989514084024,0.45117923720101427
EOS-3-46009,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)cc1,XYJLTOBXVZJYQI-UHFFFAOYSA-N,3,1,0.441,94,868,478.451,3.213,6,0.352,0.64,1.0,0.637918922623535,0.6752792817490234,0.35142382290453017,0.36334898224933176,0.506992752381605
EOS-3-46010,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)nn2C)n1C,KYRXKNPBPSVZBE-UHFFFAOYSA-N,3,1,0.495,31,477,415.461,2.25,5,0.419,0.6,0.992,0.2640754574737852,0.038020012336371735,0.03733465835103831,0.021511548214652867,0.09023541909396203
EOS-3-46011,Cc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,XBQCADMKMIETRU-UHFFFAOYSA-N,3,1,0.558,88,265,462.435,4.596,5,0.367,0.6,1.0,0.9278750599684737,0.8967856898087863,0.85013878418203,0.8479799191282297,0.88069486327188
EOS-3-46012,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)cn1C,ZDZXOYXVDNUXFB-UHFFFAOYSA-N,3,1,0.467,65,658,413.445,2.307,5,0.417,0.63,1.0,0.48218079638133093,0.3871307655404016,0.07577445000342677,0.046715441025289565,0.24795036323761221
EOS-3-46013,Cc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3cc(Cl)ncc3Cl)n12,CBQRSLQWMYLZJJ-UHFFFAOYSA-N,3,1,0.435,55,242,465.304,4.233,5,0.355,0.63,0.999,0.7499143307518333,0.7279573024467137,0.4821465286820643,0.5317661572202043,0.6229460797752039
EOS-3-46014,COc1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccc1-c1cccnc1,ZLNXZQDDWNESDW-UHFFFAOYSA-N,3,1,0.478,97,103,446.417,4.114,5,0.363,0.55,1.0,0.9360222054691248,0.8289442121855939,0.8836268932903845,0.810139812213008,0.8646832807895277
EOS-3-46015,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)c(F)c4)n23)nc1,AEDMDBGESFSFQL-UHFFFAOYSA-N,3,1,0.267,39,972,484.886,3.898,6,0.37,0.72,0.999,0.25336680145295043,0.3536255225824138,0.4035192927146871,0.5150949215269687,0.381401634569255
EOS-3-46016,Cc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cc(F)ccn5)c4)n23)c(Cl)n1,VZQMDXOOJOPJPY-UHFFFAOYSA-N,3,1,0.535,75,583,461.888,4.366,5,0.347,0.62,1.0,0.877527242820917,0.8211740113768762,0.6382701665410184,0.6488845863888698,0.7464640017819204
EOS-3-46017,Cc1nnc(-c2ccc(-c3nnc4cncc(COc5ccnc(Cl)n5)n34)nc2C)s1,MHEGMEWLPRKMGJ-UHFFFAOYSA-N,3,1,0.31,85,920,451.903,3.344,5,0.37,0.57,0.997,0.36465115482146526,0.42010485915975604,0.04805188129668974,0.04672400795010623,0.2198829758070043
EOS-3-46018,Cn1nc(-c2cc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)cnn2)ccc1=O,WKWZEYLMMPUWOZ-UHFFFAOYSA-N,3,1,0.25,98,880,461.449,1.861,6,0.382,0.51,0.011,0.10787471729148106,0.01966965937906929,0.05923171818244123,0.09257418956891235,0.06983757110547598
EOS-3-46019,COc1cccc(CCOc2cncc3nnc(-c4cnnc(-c5cncc(F)c5)c4)n23)n1,SJGVEMPGZCDHIH-UHFFFAOYSA-N,3,1,0.431,87,778,444.43,2.808,5,0.374,0.49,0.999,0.6556952916181208,0.5603882530326914,0.3364060037009115,0.2697467617024193,0.45555907751353575
EOS-3-46020,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ncccn5)n34)c2)s1,PSGAVHIRDOHOQH-UHFFFAOYSA-N,3,1,0.393,31,466,417.458,2.425,5,0.41,0.59,0.999,0.3554588444931807,0.20811630457131108,0.020483517236652732,0.016354259475018847,0.15010323144404086
EOS-3-46021,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cc5)n34)cc2)n1C,UQYGGDRFHDRRRR-UHFFFAOYSA-N,3,1,0.506,40,722,462.517,4.693,6,0.369,0.64,1.0,0.5197981632513193,0.2950191899115893,0.47183195120279625,0.3566153793434309,0.41081617092728395
EOS-3-46022,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc(C)n2)cc(C)n1,HEODOPKFSMOHDJ-UHFFFAOYSA-N,3,1,0.427,31,531,472.94,4.238,5,0.338,0.67,1.0,0.6180693578233157,0.5460386539647728,0.3330049345486944,0.2757950106229868,0.44322698923994236
EOS-3-46023,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCc5scc(Cl)c5F)n34)nn2)c1,RSSONDLQFLZJLF-UHFFFAOYSA-N,3,1,0.432,54,411,457.853,4.215,5,0.39,0.59,0.931,0.6557038585429374,0.685294016859708,0.6414741964224522,0.7275803577547804,0.6775131073949695
EOS-3-46024,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)s4)n23)c(Cl)c1,XDELPIWGJQYQIG-UHFFFAOYSA-N,3,1,0.448,16,707,479.913,2.692,5,0.39,0.59,1.0,0.45783359605236107,0.4510914262216435,0.1352974436296347,0.12320094578849976,0.29185585292303473
EOS-3-46025,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)cnn1,JQIAGIKVWMKYAX-UHFFFAOYSA-N,3,1,0.419,92,65,421.371,2.234,5,0.398,0.53,1.0,0.5071876499211843,0.45564903022411074,0.4138510040435885,0.3890754574737852,0.44144078541566717
EOS-3-46026,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnc(F)c(F)c5)n34)nn2C)cn1,YJHCDHXMUPALBX-UHFFFAOYSA-N,3,1,0.408,31,569,449.425,2.585,5,0.364,0.54,1.0,0.4072544719347543,0.27926461517373724,0.292500514015489,0.2549688163936673,0.3084971043794119
EOS-3-46027,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)c(Cl)c1,DPCIFMAEHHXMBB-UHFFFAOYSA-N,3,1,0.478,27,677,468.855,4.152,5,0.369,0.61,1.0,0.5404701528339387,0.6804023027893907,0.685782331574258,0.6199797820574326,0.6316586423137551
EOS-3-46028,COc1ncc(-c2cncc3nnc(-c4ccc(-c5ccc(C#N)nc5)nc4)n23)cn1,BMHVZKRJYPOSID-UHFFFAOYSA-N,3,1,0.325,82,514,407.397,2.586,5,0.441,0.82,1.0,0.4008121444726201,0.3100198752655747,0.3890240559248852,0.29064149133027206,0.34762439174833804
EOS-3-46030,COc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)nc1C#N,RUASLGUSMIXJHG-UHFFFAOYSA-N,3,1,0.542,19,73,469.44,2.679,5,0.35,0.57,1.0,0.7760520183674868,0.6752878486738401,0.3436793228702625,0.3027722568706737,0.5244478616955658
EOS-3-46031,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)ccc1Cl,FOOXDCZNTYAYGB-UHFFFAOYSA-N,3,1,0.658,57,485,463.875,5.406,5,0.337,0.78,1.0,0.9292629017887739,0.9101929271468714,0.9492324035364266,0.9614831060242616,0.9375428346240834
EOS-3-46032,Cn1nc(-c2ccc(F)c(Cl)c2)nc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,JUMOHOJTLLUSMT-UHFFFAOYSA-N,3,1,0.359,3,635,483.898,4.503,6,0.364,0.76,1.0,0.2206497155780961,0.4109296826811048,0.4785741210335138,0.5805804948255774,0.42268350352957296
EOS-3-46033,Fc1ccc(-c2ccccc2)cc1-c1nnc2cncc(OCCc3cncnc3)n12,DPDDZWWIHBCISG-UHFFFAOYSA-N,3,1,0.641,91,660,412.428,4.009,5,0.419,0.71,1.0,0.9023113563155369,0.8786837776711671,0.7120056884380783,0.7384175176478651,0.8078545850181619
EOS-3-46034,OCc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncc4Cl)n23)ccc1Cl,SMQACLZDLGOXME-UHFFFAOYSA-N,3,1,0.506,16,817,480.315,4.021,5,0.388,0.67,0.999,0.822544719347543,0.8556301829895141,0.8665701459803988,0.8713419231032828,0.8540217428551847
EOS-3-46035,CC(F)(c1ncc(Cc2cncc3nnc(-c4ccnc(C5CC5)n4)n23)nn1)C1CC1,ANVMKGMHEQBPGC-UHFFFAOYSA-N,3,1,0.303,78,878,417.452,2.829,6,0.471,0.58,1.0,0.14028339387293537,0.20812487149612774,0.00269858131725036,0.013133095743951752,0.09105998560756631
EOS-3-46037,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cc(Cl)c(-c5cccc(F)c5)s4)n23)cc1,NWUHZGFHTBLJDP-UHFFFAOYSA-N,3,1,0.46,62,319,477.952,5.263,5,0.374,0.8,1.0,0.2853642656432047,0.3682920978685491,0.756913508327051,0.7617195531492016,0.5430723562470017
EOS-3-46038,CCc1cnc(-c2nnc3cncc(-c4cccc(-c5cncc(CO)c5)c4)n23)cn1,SLMTUAMZCJQWSF-UHFFFAOYSA-N,3,1,0.258,82,478,409.453,3.365,5,0.475,0.75,1.0,0.15716880268658762,0.10791755191556439,0.43615070934137484,0.41709786854910563,0.2795837331231581
EOS-3-46039,Fc1ccccc1-c1nnc2cncc(OCCc3cccc(Oc4ccc(Cl)cn4)n3)n12,LVYWSDGMJRLVCA-UHFFFAOYSA-N,3,1,0.583,11,275,462.872,4.788,5,0.343,0.7,1.0,0.829972243163594,0.9162840106915222,0.6830666164073744,0.6865790555822082,0.7789754814611747
EOS-3-46040,COc1cc(-c2nnc3cncc(OCc4cc(-c5cccc(C#N)c5)ccn4)n23)ccc1Cl,CGUMZOICIJFBPN-UHFFFAOYSA-N,3,1,0.527,1,744,468.904,4.966,5,0.347,0.77,1.0,0.8514495236789802,0.9198906860393393,0.9141679802618052,0.8868480570214515,0.893089061750394
EOS-3-46041,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cccnn5)n4)n23)cc1,ILZJSAQJUPQGLB-UHFFFAOYSA-N,3,1,0.52,89,398,484.495,3.154,5,0.357,0.68,0.997,0.5585035295730245,0.25364094304708384,0.2309985607566308,0.1611438558015215,0.30107172229456514
EOS-3-46042,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)cn2)nnc1Cl,MHMSRDHBRDOVIF-UHFFFAOYSA-N,3,1,0.464,65,795,480.319,3.67,5,0.359,0.65,0.996,0.74992289767665,0.82509766294291,0.2097354533616613,0.287420327599205,0.5180440853951066
EOS-3-46043,Fc1cccc(COc2cncc3nnc(-c4cnnc(-c5cnccn5)c4)n23)c1F,GLFZXQNZDMMMDK-UHFFFAOYSA-N,3,1,0.477,55,540,418.367,2.896,5,0.429,0.53,1.0,0.6894575423206086,0.6657956959769721,0.6884295113426084,0.6837005688438078,0.6818458296209993
EOS-3-46044,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)cc(Cl)n2)s1,QHVTUKMNXIENKX-UHFFFAOYSA-N,3,1,0.455,58,241,451.903,3.078,5,0.359,0.54,0.767,0.527979576451237,0.6365996162017682,0.03347097525872113,0.053269138510040434,0.31282982660544173
EOS-3-46045,COc1cccc(-c2cc(-c3nnc4cncc(OCc5ncn(C)n5)n34)ncn2)c1,KMDVGQAHGPLUED-UHFFFAOYSA-N,3,1,0.357,31,238,415.417,1.964,5,0.41,0.59,0.997,0.17603317113289013,0.12379206360084984,0.09442464532931259,0.05762970324172435,0.11296989582619422
EOS-3-46046,COc1ncc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)cc1-c1ccc(F)cn1,CRJSYRZBKVPXJT-UHFFFAOYSA-N,3,1,0.431,20,279,478.875,3.461,5,0.347,0.68,1.0,0.7290795695976973,0.6950517442258927,0.37410047289424986,0.35993077924748135,0.5395406414913303
EOS-3-46047,Fc1cc(Cl)cc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)nc4)n23)c1,SZLYQNPOOICCGZ-UHFFFAOYSA-N,3,1,0.441,45,533,419.822,5.452,5,0.39,0.81,1.0,0.3015214858474402,0.6033685148379138,0.9662034815982455,0.9818723870879309,0.7132414673428826
EOS-3-46048,COCc1ncc(-c2nnc3cncc(Cc4cnc(-c5cnnc(F)c5)cn4)n23)cc1F,CCLZRYYLWJRXOA-UHFFFAOYSA-N,3,1,0.317,85,674,447.409,2.449,5,0.387,0.47,1.0,0.43220135700089096,0.4687221574943458,0.37410903981906657,0.359939346172298,0.4087429751216503
EOS-3-46049,Cc1nc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ccn2)cs1,AQWWQQVTRWQZHE-UHFFFAOYSA-N,3,1,0.62,13,573,438.875,5.203,5,0.383,0.75,1.0,0.832473785210061,0.7635957096840518,0.7503598108423001,0.7716400520869029,0.7795173394558289
EOS-3-46050,N#Cc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc(-c2cccc(F)c2)n1,OXHWKCQGHUVKKP-UHFFFAOYSA-N,3,1,0.505,11,848,471.883,4.534,5,0.335,0.69,1.0,0.9158813652251387,0.9421646905626756,0.795079158385306,0.8285672674936605,0.8704231204166952
EOS-3-46051,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cnn2)n1,XNTZIJKGGGMCBX-UHFFFAOYSA-N,3,1,0.44,92,185,420.824,2.004,5,0.393,0.53,1.0,0.27200842985401963,0.3917654718662189,0.16308854773490508,0.1717325748749229,0.24964875608251663
EOS-3-46052,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)nn5C)nc4)n23)nc1,JDWHWMAZUUFSKF-UHFFFAOYSA-N,3,1,0.482,33,760,412.457,3.178,5,0.437,0.7,0.999,0.31466314851620864,0.07858440134329381,0.20618874648756083,0.12543691316565006,0.18121830237817835
EOS-3-46053,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)nc1F,NLZYSIQHTIRANB-UHFFFAOYSA-N,3,1,0.404,46,564,455.816,2.887,5,0.372,0.52,0.999,0.5047032417243507,0.4910304297169488,0.577213693372627,0.6109074086765814,0.545963693372627
EOS-3-46054,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnncc4-c4ccccc4F)n23)nc1,AOAQYPUHIIUVJJ-UHFFFAOYSA-N,3,1,0.337,30,737,459.488,5.425,6,0.35,0.76,0.998,0.21800253580974574,0.3586371736001645,0.8265026386128436,0.8479884860530464,0.5627827085189501
EOS-3-46055,CCn1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnnc(CO)n6)ncn5)n34)cc2)cn1,WUGGYBWKKOEHHZ-UHFFFAOYSA-N,3,1,0.267,98,882,477.492,2.476,6,0.379,0.58,1.0,0.08597765746007813,0.07163662531697622,0.12383489822493318,0.11394010006168186,0.09884732026591736
EOS-3-46056,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(F)c(Cl)c5)n34)ccn2)cc1,APRUGKGOLLUXHY-UHFFFAOYSA-N,3,1,0.59,11,429,464.863,4.801,5,0.336,0.69,1.0,0.9715835103831129,0.9651326159961621,0.9011719553149201,0.9139366732917552,0.9379561887464876
EOS-3-46057,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)cc1-c1ccccn1,ZVEDGOMUEBWJID-UHFFFAOYSA-N,3,1,0.551,11,595,464.863,4.801,5,0.336,0.69,1.0,0.9688677952162292,0.9688677952162292,0.8954920841614694,0.9050699061065041,0.934574395175108
EOS-3-46058,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ncn2)cn1,FXPUETBOAQPJNC-UHFFFAOYSA-N,3,1,0.484,31,296,411.429,2.363,5,0.415,0.68,0.973,0.47980775820711397,0.21297375094236173,0.090004112123912,0.0687410047289425,0.21288165650058255
EOS-3-46059,Cc1nc(-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)cn4)n23)c(-c2cccc(F)c2)s1,GQNHVGUNPHQAPU-UHFFFAOYSA-N,3,1,0.293,32,572,454.494,4.814,6,0.41,0.63,0.938,0.14029196079775205,0.33413576862449457,0.370074018230416,0.45503221163731067,0.3248834898224933
EOS-3-46060,Cc1cccc(COc2cncc3nnc(-c4cc(-c5cn(C)cn5)cc(C)n4)n23)n1,WBMRXWOBUFGQCS-UHFFFAOYSA-N,3,1,0.415,31,464,412.457,3.178,5,0.437,0.68,1.0,0.23738948666986498,0.1238006305256665,0.22017853471317936,0.12745870742238366,0.17720683983277363
EOS-3-46061,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)c1,VPQMVOQJYJZHBV-UHFFFAOYSA-N,3,1,0.258,64,136,478.907,4.124,6,0.344,0.68,0.364,0.2345624014803646,0.23840895072304846,0.2165461585909122,0.3027808237954904,0.24807458364745388
EOS-3-46062,Fc1c(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)ccnc1Cl,PNCRVGGEDXFRBO-UHFFFAOYSA-N,3,1,0.558,75,420,448.849,3.452,5,0.364,0.52,1.0,0.8714361592762662,0.8392587896648619,0.5028270851895004,0.5183075183332191,0.6829573881159618
EOS-3-46063,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cc(C)n2)nn1,OIPZHFGSEPXOQN-UHFFFAOYSA-N,3,1,0.484,59,483,463.423,4.256,5,0.36,0.6,0.999,0.7166917963127956,0.7375351243917483,0.837194160784045,0.7763261599616201,0.7669368103625522
EOS-3-46064,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc(C)ccn5)cn4)n23)nc1,QGWZTAZPSYVOGB-UHFFFAOYSA-N,3,1,0.432,46,348,409.453,3.839,5,0.435,0.77,1.0,0.3901206223014187,0.29502775683640603,0.407263038859571,0.3093773559043246,0.3504471934754301
EOS-3-46065,CCn1cc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5OC)n34)ccc2F)cn1,OQDCNYOBBQZWSA-UHFFFAOYSA-N,3,1,0.489,43,623,462.46,4.541,5,0.353,0.65,1.0,0.5303697484750873,0.5895500651086286,0.8338102254814612,0.7410304297169488,0.6736901171955314
EOS-3-46066,Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncc(F)cn1,UQYBQCRLLBVIJN-UHFFFAOYSA-N,3,1,0.463,37,132,464.848,3.158,5,0.403,0.5,1.0,0.866904256048249,0.8211825783016928,0.3700825851552327,0.40120622301418685,0.6148439106298403
EOS-3-46067,Cc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cc(C)n[nH]5)c4)n23)nn1,QMWWAVYKEMOJFK-UHFFFAOYSA-N,3,1,0.473,15,241,413.445,2.605,5,0.451,0.61,1.0,0.48218936330614764,0.3632290453018984,0.1070351586594476,0.072493317798643,0.2562367212665342
EOS-3-46068,N#Cc1cc(Cl)nc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)c1,OYGJKUWMRSHSMO-UHFFFAOYSA-N,3,1,0.523,4,633,475.299,4.401,5,0.344,0.66,0.998,0.8905575354670687,0.9642930573641286,0.8018127612912069,0.8479970529778631,0.8761651017750669
EOS-3-46069,COCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cn1,KTFUCCIJGJAIGE-UHFFFAOYSA-N,3,1,0.446,46,238,432.469,2.825,5,0.383,0.52,1.0,0.28269138510040437,0.14896168871221988,0.1728462751010897,0.12087074223836612,0.18134252278802002
EOS-3-46070,Fc1ncccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)no1,ONSXNRUVWVPFQY-UHFFFAOYSA-N,3,1,0.389,93,651,434.434,5.314,6,0.35,0.77,1.0,0.3196233979850593,0.39177403879103556,0.7998166678089234,0.8285758344184772,0.5849474847508739
EOS-3-46071,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)ncn2)cc1,FZEGHUCFTADGAG-UHFFFAOYSA-N,3,1,0.408,27,52,475.394,3.508,5,0.375,0.6,0.998,0.7290881365225139,0.6610581865533548,0.8966400520869029,0.8058734836543074,0.7731649647042698
EOS-3-46073,COc1ncc(-c2nnc3cncc(-c4ccc(-c5cnn(C)c5F)cn4)n23)c(OC)n1,LPYHHUDGGKIEHU-UHFFFAOYSA-N,3,1,0.315,50,974,433.407,2.2,5,0.411,0.49,1.0,0.3146717154410253,0.18961174696730862,0.1445325885820026,0.06874957165375917,0.1793914056610239
EOS-3-46074,Cc1cccc(-c2cc(-c3nnc4cncc(Oc5c(F)cccc5F)n34)nn2C)c1,BSULSPDLZUCHDU-UHFFFAOYSA-N,3,1,0.396,19,266,418.407,4.571,5,0.428,0.67,1.0,0.43436022205469127,0.45990679185799466,0.782622849701871,0.7716486190117195,0.6121346206565691
EOS-3-46075,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)cc(Cl)n1,WGEFBCQQVNVGCP-UHFFFAOYSA-N,3,1,0.43,26,624,464.892,4.145,5,0.348,0.62,0.998,0.46232266465629496,0.4818209855390309,0.5437855527379891,0.48266054417106435,0.4926474367760948
EOS-3-46076,COc1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)ccc1-c1ccccn1,RFFBBHNPLSZOIE-UHFFFAOYSA-N,3,1,0.534,1,61,479.422,4.25,5,0.356,0.71,1.0,0.6983585772051264,0.7234853676924131,0.8941642108148858,0.727588924679597,0.7608992700980055
EOS-3-46077,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)nc5)n34)cc2)cc1F,MYHHZVUDMRKHFD-UHFFFAOYSA-N,3,1,0.318,69,774,461.504,5.368,6,0.353,0.74,1.0,0.1596532108834213,0.32040298814337603,0.8692944280720992,0.8387105064765952,0.547015283393873
EOS-3-46078,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)ns1,QDJZFKMWQHBEIU-UHFFFAOYSA-N,3,1,0.512,13,145,438.875,5.203,5,0.383,0.74,1.0,0.5509218011102734,0.6461945719964362,0.6667551915564389,0.72493317798643,0.6472011856623946
EOS-3-46079,COc1ncc(-c2nnc3cncc(OCCc4cncs4)n23)cc1-c1ccnc(Cl)c1,RCYIUHSOLVTAEI-UHFFFAOYSA-N,3,1,0.483,35,657,465.926,3.988,5,0.332,0.67,1.0,0.5807861010211774,0.6131176752792817,0.3588170790213145,0.3215081214447262,0.468557244191625
EOS-3-46080,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nn2C)ncn1,VMWKCHJKIFGBHI-UHFFFAOYSA-N,3,1,0.351,51,924,434.851,2.313,5,0.41,0.48,0.999,0.31209307107120826,0.2950363237612227,0.06947776026317593,0.06875813857857584,0.1863413234185457
EOS-3-46081,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(C)nn5)c4)n23)nc1,VUQYNOKGMRFZNA-UHFFFAOYSA-N,3,1,0.449,33,348,410.441,3.234,5,0.435,0.7,1.0,0.4369817010485916,0.2129823178671784,0.29250908094030564,0.20807346994722775,0.2876366424508258
EOS-3-46082,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccn(C)c4Cl)n23)ccc1Cl,MAOAFQUGASZHAF-UHFFFAOYSA-N,3,1,0.573,37,353,468.348,4.459,5,0.368,0.64,1.0,0.7585326571174011,0.832422383661161,0.6967651291892263,0.7275974916044137,0.7538294153930505
EOS-3-46083,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ncc5F)n34)ccn2)[nH]n1,AHIIAGGXCHARPK-UHFFFAOYSA-N,3,1,0.522,75,359,450.865,3.694,5,0.393,0.52,1.0,0.7499314646014666,0.7279658693715304,0.6056987183880475,0.5865602083476116,0.667539065177164
EOS-3-46084,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(OC(F)(F)F)cc5)n34)c2)cn1,JEGRXXYGPNTYDU-UHFFFAOYSA-N,3,1,0.547,1,713,478.434,5.034,5,0.338,0.8,1.0,0.9085737783565211,0.8427198272907956,0.9672829141251457,0.9128572407648551,0.9078584401343294
EOS-3-46085,COc1nn(C)cc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)c(C)n3)n12,SLBGXSQYPQVMKS-UHFFFAOYSA-N,3,1,0.43,31,690,448.512,2.982,5,0.374,0.54,0.997,0.22912240422178054,0.13406380645603455,0.030858063189637446,0.012541977931601672,0.10164656294976356
EOS-3-46086,Fc1cnc(-c2cncc(-c3nnc4cncc(Oc5c(F)cccc5Cl)n34)c2)cc1F,BVFVKLVMLGWEID-UHFFFAOYSA-N,3,1,0.414,13,995,454.799,5.111,5,0.375,0.66,1.0,0.7846018093345213,0.8556387499143308,0.9639246795970119,0.970007196216846,0.8935431087656776
EOS-3-46087,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)nn2C)cn1,OYYZTVWFFMNOEQ-UHFFFAOYSA-N,3,1,0.517,31,569,419.474,2.368,5,0.413,0.59,1.0,0.282699952025221,0.10792611884038106,0.017879172092385716,0.011745253923651566,0.10506262422040984
EOS-3-46088,CCc1ncc(Cc2cncc3nnc(-c4sc(C)nc4-c4nc(C)nn4C)n23)cn1,SRFJSSBFOKHMKC-UHFFFAOYSA-N,3,1,0.277,85,976,432.517,2.603,5,0.416,0.51,0.153,0.01333013501473511,0.006785004454800904,0.001696251113700226,0.00030840929340004113,0.00552994996915907
EOS-3-46089,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)cc5F)n4)n23)cc1,WLYDGELGCYZMRX-UHFFFAOYSA-N,3,1,0.362,8,642,484.886,3.898,6,0.37,0.7,1.0,0.26135117538208485,0.4731255568501131,0.42142416558152285,0.5214687135905696,0.41934240285107255
EOS-3-46091,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ccnc(C(F)F)c3)n12,FANODQVRAPBRKL-UHFFFAOYSA-N,3,1,0.483,97,666,454.437,4.966,5,0.361,0.73,1.0,0.8491107532040298,0.8729696388184497,0.9034164896168871,0.8515694606264136,0.869266585566445
EOS-3-46092,Cc1cc(-c2nnc3cncc(OCc4ccc(C(=O)NCc5ccccc5)nc4)n23)ccc1Cl,FAQYHANNAKXROI-UHFFFAOYSA-N,3,1,0.556,79,347,484.947,4.657,5,0.361,0.87,1.0,0.8922623535055856,0.6462031389212528,0.6320420121993009,0.5676358714275923,0.6845358440134329
EOS-3-46093,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)cn2)cc1,BKHYURFKOOBKQZ-UHFFFAOYSA-N,3,1,0.386,32,20,461.916,5.631,6,0.338,0.83,1.0,0.17897162634500718,0.35864574052498116,0.7711003358234528,0.8285844013432938,0.5343255260091838
EOS-3-46094,CCOc1ccc(F)cc1-c1nnc2cncc(-c3c(-c4ccccc4F)nc(C)n3C)n12,FPBGRZOOPIQMDD-UHFFFAOYSA-N,3,1,0.425,96,140,446.461,4.844,5,0.386,0.67,1.0,0.33219964361592763,0.41093824960592146,0.6057072853128641,0.6109159756013981,0.4899402885340278
EOS-3-46095,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)n4)n23)n(C)n1,JMEUNIGSAHFRND-UHFFFAOYSA-N,3,1,0.376,7,662,417.408,2.403,5,0.401,0.58,0.994,0.32450654513055993,0.32041155506819274,0.17285484202590637,0.13398670413268454,0.23793991158933592
EOS-3-46096,Cc1cc(COc2cncc3nnc(-c4cc(-c5ncccn5)nc(C)n4)n23)n(C)n1,YNPOEQIKTCTEOX-UHFFFAOYSA-N,3,1,0.378,31,662,414.433,1.968,5,0.425,0.62,1.0,0.17604173805770681,0.05636179836885751,0.019558289356452607,0.007924405455417723,0.06497155780960867
EOS-3-46097,Fc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ncccn1,VIUGSSUUXRVMFZ-UHFFFAOYSA-N,3,1,0.426,18,116,415.392,2.194,5,0.385,0.62,0.999,0.6804879720375574,0.6267133849633335,0.12651634569255021,0.12948050167911726,0.3907995510931396
EOS-3-46098,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5cccnc5Cl)n4)n23)cc1,INJZQUCNBAJTOJ-UHFFFAOYSA-N,3,1,0.286,10,356,471.847,3.079,6,0.356,0.55,0.719,0.012404907134534987,0.1273901720238503,0.1990867658145432,0.37613083407580017,0.17875316976218217
EOS-3-46099,C#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4F)n23)cn1,BNCGEVAAWCTQPJ-UHFFFAOYSA-N,3,1,0.462,7,212,442.389,2.877,5,0.302,0.62,0.999,0.7135563018298952,0.7188163936673292,0.5202607771914194,0.48878589541498185,0.6103548420259064
EOS-3-46100,Fc1ccccc1-c1ncc(Cl)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,SDHPGKXIJMKGIH-UHFFFAOYSA-N,3,1,0.562,34,929,467.291,5.273,5,0.35,0.77,1.0,0.9552720855321774,0.9779487355218971,0.8247207182509766,0.9014460969090535,0.9148469090535262
EOS-3-46101,CCc1nc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cccc(C)n1,WAAGGGOHGLSJKE-UHFFFAOYSA-N,3,1,0.477,49,690,429.509,4.155,5,0.4,0.57,0.892,0.2853728325680214,0.18124186142142418,0.12384346514974985,0.092582756493729,0.17076022890823112
EOS-3-46102,CCn1cnnc1COc1cncc2nnc(-c3cc(-c4ncc(C)cn4)cnn3)n12,ONXSDDUOSDORPG-UHFFFAOYSA-N,3,1,0.357,92,105,415.421,1.537,5,0.402,0.6,1.0,0.11878897950791584,0.06020834761154136,0.008986704132684532,0.005020217942567336,0.04825106229867727
EOS-3-46103,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4scnc4-c4cccs4)n23)cc1,JCBMZJBCDBERFP-UHFFFAOYSA-N,3,1,0.471,56,415,472.559,4.351,6,0.356,0.69,1.0,0.4774689877321637,0.31002844219039133,0.13530601055445138,0.1339952710575012,0.26419967788362686
EOS-3-46104,CCn1c(C)nc(-c2ncccn2)c1-c1cncc2nnc(-c3ccc(-c4cocn4)c(F)c3)n12,RSJVVNOVZTUVTR-UHFFFAOYSA-N,3,1,0.3,42,608,467.468,4.234,6,0.37,0.6,0.996,0.31721609211157564,0.3294325269001439,0.1415769995202522,0.18819820437255844,0.24410595572613256
EOS-3-46105,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4cc(-c5ncc(C)nn5)ccc4F)n23)cn1,APIUIVBJDWSBRC-UHFFFAOYSA-N,3,1,0.31,42,693,476.479,3.918,6,0.373,0.58,1.0,0.2692584469878692,0.37293537111918307,0.2852443286957714,0.2965698033034062,0.3060019875265575
EOS-3-46106,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)o1,UQMQXQUOISHUOZ-UHFFFAOYSA-N,3,1,0.338,32,479,451.877,5.224,6,0.362,0.71,1.0,0.2481581111644164,0.3917826057158522,0.6444640531834692,0.6806678774587074,0.49126816188061134
EOS-3-46107,Cc1c(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nn(C)c1C,SGQQTARUQMRAMM-UHFFFAOYSA-N,3,1,0.419,31,128,451.943,4.498,5,0.391,0.59,1.0,0.3245151120553766,0.4644301281611953,0.20974402028647796,0.21421595504077856,0.3032263038859571
EOS-3-46108,COc1nccnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cn4)n23)c1,LWJYBMQHGRTJGA-UHFFFAOYSA-N,3,1,0.305,64,20,476.475,4.52,6,0.358,0.67,1.0,0.5328627235967377,0.527619765608937,0.557227057775341,0.5214772805153862,0.5347967068741004
EOS-3-46109,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)c(C)n5)cnn4)n23)cc1,IYVWUMVFKISQJE-UHFFFAOYSA-N,3,1,0.433,89,926,485.483,2.815,5,0.369,0.68,1.0,0.49707867863751626,0.3204201219930094,0.1662497429922555,0.08867623877732848,0.2681061956000274
EOS-3-46110,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)c1,VFPIKNMQDJCYKI-UHFFFAOYSA-N,3,1,0.527,37,438,450.865,3.396,5,0.366,0.52,1.0,0.5611849770406415,0.6033770817627304,0.5740696319649099,0.5865687752724282,0.5813001165101775
EOS-3-46111,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5nc(C)c(F)[nH]5)c4)n23)n(C)n1,WSSPQICDHAWJBJ-UHFFFAOYSA-N,3,1,0.456,92,239,419.424,2.645,5,0.466,0.56,0.984,0.364659721746282,0.3632376122267151,0.1473768076211363,0.09259132341854567,0.24196636625316978
EOS-3-46112,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2)s1,SMVCKRQPYPOJBO-UHFFFAOYSA-N,3,1,0.488,54,411,416.47,3.03,5,0.416,0.61,0.998,0.5122078678637516,0.3391645534918786,0.0694863271879926,0.0669590843670756,0.2469544582276746
EOS-3-46113,Clc1sccc1CCOc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,SXWLDHQKPZCBDF-UHFFFAOYSA-N,3,1,0.5,11,503,433.924,5.19,5,0.368,0.73,0.999,0.6775238160509903,0.6804108697142074,0.6558323624151875,0.7331574258104311,0.6867311184977041
EOS-3-46114,Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)cc2C)n1,SBJXOGVAXDADAK-UHFFFAOYSA-N,3,1,0.552,4,92,460.9,5.237,5,0.357,0.72,1.0,0.790127475841272,0.8944640531834692,0.8321225412925776,0.7993883215680899,0.8290255979713521
EOS-3-46115,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4Cl)n23)ccc1F,HGTHLBBYDZJLDX-UHFFFAOYSA-N,3,1,0.512,16,772,470.295,4.612,5,0.349,0.7,1.0,0.7135648687547118,0.737543691316565,0.8894352683160852,0.9014546638338702,0.8104996230553081
EOS-3-46116,Cn1cccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ncn1,PUJRJELJPZAYHN-UHFFFAOYSA-N,3,1,0.451,55,354,418.848,3.214,5,0.404,0.58,1.0,0.4997087245562333,0.6411486532794188,0.44716777465560964,0.4266585566445069,0.5036709272839421
EOS-3-46117,Cc1cc(-c2nnc3cncc(OCc4cc(-c5nnc(C)n5C)cnn4)n23)ccn1,PCUXYSWCOIGYLC-UHFFFAOYSA-N,3,1,0.465,92,587,414.433,1.968,5,0.425,0.63,1.0,0.2151411829209787,0.09172606401206224,0.03210026728805428,0.019232746213419232,0.0895500651086286
EOS-3-46118,Cc1nn(C)cc1-c1cccc(CCOc2cncc3nnc(-c4ccccc4)n23)n1,QYDPCXLUBRDEDM-UHFFFAOYSA-N,3,1,0.571,15,848,411.469,3.517,5,0.425,0.7,1.0,0.46233123158111167,0.32498629292029335,0.202573504214927,0.16631827839078883,0.2890523267767802
EOS-3-46119,OCc1cncc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)c2)c1,CYXCGAUWLBLKNE-UHFFFAOYSA-N,3,1,0.311,32,20,464.46,4.807,6,0.391,0.64,0.995,0.30153005277225686,0.3729439380439997,0.8665787129052156,0.8498903433623467,0.5977357617709548
EOS-3-46120,Clc1c(Br)cncc1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)nc3)n12,QFTRYZLARJETQQ-UHFFFAOYSA-N,3,1,0.444,55,564,485.693,2.756,5,0.399,0.64,1.0,0.5927283942156124,0.6267219518881503,0.31816702076622577,0.3856401206223014,0.48081437187307247
EOS-3-46121,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5Cl)n34)cn2)nn1,RFCYORZGRZFHMJ-UHFFFAOYSA-N,3,1,0.315,98,219,481.911,3.463,6,0.372,0.65,0.996,0.15434171749708725,0.304905421150024,0.20975258721129464,0.2816376533479542,0.23765934480159004
EOS-3-46122,CCc1cccc(COc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4)n23)n1,DWVVKRXRDGKZNK-UHFFFAOYSA-N,3,1,0.512,72,22,411.469,3.728,5,0.423,0.74,1.0,0.4207987800699061,0.2741672949078199,0.355270372147214,0.2458707422383661,0.32402679734082657
EOS-3-46123,Clc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc(-c2nncs2)n1,DYQBCGBDBYVGDK-UHFFFAOYSA-N,3,1,0.325,30,945,469.921,4.482,6,0.348,0.65,0.999,0.14890172023850318,0.3442361729833459,0.2061973134123775,0.34380782674251253,0.26078575834418477
EOS-3-46124,Fc1ccccc1-c1nnc2cncc(OCc3cnn(-c4nsc(-c5cccnc5)n4)n3)n12,PABUDYLMMDSQRS-UHFFFAOYSA-N,3,1,0.463,6,247,472.469,3.004,6,0.36,0.61,1.0,0.23739805359468166,0.3917911726406689,0.0592402851072579,0.10479062435748064,0.19830503392502227
EOS-3-46125,COc1ncc(-c2csc(-c3cncc4nnc(-c5cccnc5-c5nccn5C)n34)c2)cn1,NTKAVDNOMVFZOZ-UHFFFAOYSA-N,3,1,0.295,86,812,467.518,3.781,6,0.377,0.63,1.0,0.20432115687752725,0.12380919745048317,0.13864711123295181,0.10063566582139676,0.14185328284558973
EOS-3-46126,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5F)cc(Cl)n4)n23)cc1F,NSOWHDMQMUARPY-UHFFFAOYSA-N,3,1,0.33,74,768,478.85,3.602,5,0.31,0.71,0.999,0.29107840449592215,0.36830066479336576,0.7455109313960661,0.7249417449112466,0.5324579363991502
EOS-3-46127,Fc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)c2)n1,DPBKZQGDKBMPTM-UHFFFAOYSA-N,3,1,0.575,19,308,449.396,3.682,5,0.365,0.53,1.0,0.8277962442601604,0.7507967240079501,0.8229045301898431,0.8306233294496608,0.8080302069769036
EOS-3-46128,Cc1nc(-c2cncnc2)cc(-c2cncc3nnc(-c4ccc(C(C)O)cn4)n23)n1,BAMPHMJFQPKUPH-UHFFFAOYSA-N,3,1,0.296,50,432,411.429,2.462,5,0.474,0.63,0.905,0.0859862243848948,0.04539613460352272,0.3364145706257282,0.24015660338564868,0.17698838324994862
EOS-3-46129,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cnc(COC)c(F)c4)n23)c1,QELAEHJSCSGSTI-UHFFFAOYSA-N,3,1,0.485,26,448,459.485,3.934,5,0.347,0.57,1.0,0.38779041875128506,0.34424473990816257,0.5572356247001576,0.42666712356932357,0.4289844767322322
EOS-3-46130,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c(Cl)n1,QQUDQEHYRNOJFV-UHFFFAOYSA-N,3,1,0.489,65,265,468.855,3.535,5,0.352,0.58,1.0,0.8225532862723597,0.7097097525872113,0.5706342951134261,0.5956668494277294,0.6746410458501817
EOS-3-46131,FC(F)c1ccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)nn1,JLRQPZPZCQJXBO-UHFFFAOYSA-N,3,1,0.326,86,790,481.43,3.495,6,0.36,0.63,0.727,0.2640840243986019,0.31516003015557537,0.38903262284970186,0.35662394626824756,0.3312251559180317
EOS-3-46132,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5cn(C)nc5C)n34)c2)nn1,JCAQNHLFDZXJNT-UHFFFAOYSA-N,3,1,0.438,92,142,413.445,2.573,5,0.432,0.65,1.0,0.17898019326982387,0.12011685285449934,0.132427523816051,0.07818175587691042,0.12742658145432115
EOS-3-46133,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4Cl)n23)c1,FQJLSAYEBCLLMQ-UHFFFAOYSA-N,3,1,0.505,58,490,465.851,4.196,5,0.347,0.6,1.0,0.907134534987321,0.9162925776163389,0.6558409293400042,0.7249503118360633,0.8010545884449318
EOS-3-46134,Cn1nc(Cl)cc1COc1cncc2nnc(-c3cnnc(-c4cncc(F)c4)c3)n12,CMRNKCSVKHRCIV-UHFFFAOYSA-N,3,1,0.43,92,875,437.826,2.748,5,0.413,0.47,1.0,0.4183914741964225,0.48182955246384757,0.38531457747926806,0.4330237817832911,0.4296398464807073
EOS-3-46135,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc(F)n2)nn1,GWYOWPLVUVMFGP-UHFFFAOYSA-N,3,1,0.398,31,773,463.864,3.156,5,0.35,0.54,0.907,0.680496538962374,0.5845726817901447,0.2740987595092865,0.31239291343979164,0.4628902234253992
EOS-3-46136,Cc1ccc(-c2nnc3cncc(OCc4csc(-c5cnc(C)n5C)c4)n23)cc1,ZCBUVKJQDGHQCT-UHFFFAOYSA-N,3,1,0.568,89,731,416.51,4.449,5,0.423,0.69,1.0,0.5457045438969228,0.3586543074497978,0.4000068535398533,0.2847560139812213,0.3972804297169488
EOS-3-46137,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)s5)n34)cc2)n[nH]1,SPEHPWZHEPKTQJ-UHFFFAOYSA-N,3,1,0.301,38,865,413.426,3.355,6,0.467,0.59,1.0,0.17898876019464052,0.2536495099719005,0.1791857994654239,0.19622541292577617,0.20201237063943528
EOS-3-46138,Cc1csc(-c2ccccc2-c2nnc3cncc(-c4cccc(-c5c[nH]nn5)n4)n23)n1,BHUYYZILQYMCAL-UHFFFAOYSA-N,3,1,0.275,76,541,437.492,4.07,6,0.442,0.55,0.999,0.0530121307655404,0.1042680419436639,0.17286340895072305,0.19369817010485915,0.13096043794119663
EOS-3-46139,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)cc1Cl,PASWRNXBZIOUFS-UHFFFAOYSA-N,3,1,0.5,16,353,470.295,4.612,5,0.349,0.67,1.0,0.8514580906037968,0.8324309505859776,0.854704955109314,0.8729525049688164,0.8528866253169761
EOS-3-46140,COc1ncc(F)cc1COc1cncc2nnc(-c3ccc(-c4ncc(F)cn4)nc3OC)n12,CPMQJUPOWGWEKH-UHFFFAOYSA-N,3,1,0.451,73,775,478.419,2.913,5,0.345,0.64,0.992,0.7167003632376122,0.5845812487149613,0.29621855938592284,0.18001679117264066,0.4443792406277842
EOS-3-46141,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ncn2)ccn1,GGKPSUXIBGWFOL-UHFFFAOYSA-N,3,1,0.398,18,194,415.392,2.194,5,0.385,0.61,0.861,0.522616681516003,0.4556575971489274,0.23803200603111507,0.23425399218696458,0.36264006922075254
EOS-3-46142,Fc1cccnc1-c1ncncc1-c1nnc2cncc(OCc3ccc(F)c(F)c3F)n12,RBSGJBDAZVGZLN-UHFFFAOYSA-N,3,1,0.457,59,577,453.359,3.779,5,0.296,0.65,1.0,0.7470615447878829,0.7681361798368858,0.8989102871633199,0.8990644918100199,0.8282931258995271
EOS-3-46143,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(Cc5c(F)cccc5Cl)n4)n23)cc1,NMDLXARTIBCYFX-UHFFFAOYSA-N,3,1,0.321,98,973,487.89,3.081,6,0.364,0.77,1.0,0.2180111027345624,0.3489736824069632,0.18889212528270852,0.337476869302995,0.27333844493180726
EOS-3-46144,c1cnnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nccs6)nc5)n34)n2)c1,NZFRXLRGJVDBOB-UHFFFAOYSA-N,3,1,0.478,28,297,465.502,3.741,6,0.362,0.59,1.0,0.3440048660132959,0.4381296689740251,0.18238126242204097,0.16355972859982182,0.2820188815022959
EOS-3-46145,COc1cc(-c2nncn2C)ncc1-c1cncc2nnc(-c3ccc(-c4ccccc4C)cn3)n12,CKIGEPXSHNWKKC-UHFFFAOYSA-N,3,1,0.301,70,179,475.516,4.028,6,0.368,0.62,0.99,0.09567541635254609,0.016491330272085533,0.3144232746213419,0.2639640874511685,0.17263852717428552
EOS-3-46147,COc1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)ccc1-c1cnc(C)cn1,MMXDLKXNFLKGQA-UHFFFAOYSA-N,3,1,0.388,13,573,465.395,4.17,5,0.357,0.58,1.0,0.7558597765746008,0.680419436639024,0.7640154890000685,0.6488931533136865,0.7122969638818449
EOS-3-46148,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cnc(Cl)cn5)n34)nc2)cnn1,FCWBNGWCQDYJHV-UHFFFAOYSA-N,3,1,0.3,70,935,478.907,4.124,6,0.368,0.63,1.0,0.1403005277225687,0.28979336577342196,0.3514323898293469,0.3981135631553697,0.2949099616201768
EOS-3-46149,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5cnc(-c6cccnc6)cc5F)n34)cc2)nc1,LAXYJZKDAVTATK-UHFFFAOYSA-N,3,1,0.489,41,106,476.475,4.945,6,0.344,0.75,1.0,0.7930230964293057,0.7375522582413817,0.617598176958399,0.5740867658145432,0.6805650743609074
EOS-3-46150,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nn5)n34)cc2F)nc1,GMZDNUOZVSEMEX-UHFFFAOYSA-N,3,1,0.512,73,82,467.827,2.986,5,0.371,0.52,1.0,0.9252964155986567,0.9289030909464738,0.3627150298128984,0.4487697895963265,0.6664210814885889
EOS-3-46151,Cc1nnc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)cc2Cl)o1,MVXUDOPAJXAPOJ-UHFFFAOYSA-N,3,1,0.284,99,813,471.872,3.056,6,0.376,0.56,0.93,0.09807415530121308,0.16439072030703858,0.06949489411280926,0.10064423274621342,0.10815100061681858
EOS-3-46152,Cn1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1cc(Cl)cc(C#N)c1,ATXSKPMKHSCWLP-UHFFFAOYSA-N,3,1,0.473,95,965,477.315,4.344,5,0.371,0.7,0.945,0.36466828867109863,0.44690219998629294,0.7591666095538345,0.8187324378041259,0.597367384003838
EOS-3-46153,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cccc(F)n5)cn4)n23)c(-c2cnn(C)c2)n1,SLLZRUMWZOLUTG-UHFFFAOYSA-N,3,1,0.294,70,392,464.468,3.553,6,0.364,0.56,0.999,0.0909893084778288,0.18962031389212528,0.31061956000274143,0.29657837022822287,0.2219518881502296
EOS-3-46154,CCCc1ncc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)n4)n23)cn1,VBEQRUAEIIYFMJ-UHFFFAOYSA-N,3,1,0.385,49,501,460.523,3.64,5,0.342,0.58,0.973,0.3218507984373929,0.14505517099581933,0.0447107806181893,0.020029470221369337,0.13291155506819272
EOS-3-46155,Fc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)[nH]2)cc1,YGROLTHVVRMSKD-UHFFFAOYSA-N,3,1,0.414,45,102,409.787,4.175,5,0.483,0.77,1.0,0.39865327941881984,0.709718319512028,0.879925981769584,0.9403827702008087,0.7321700877253101
EOS-3-46156,Fc1cnc(-c2ccc(OCc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)nn2)nc1,MGCJLNNQDXOWLO-UHFFFAOYSA-N,3,1,0.406,73,260,468.374,3.833,5,0.347,0.6,1.0,0.7320608594338976,0.8016756904941402,0.8191864848194093,0.7903759166609554,0.7858247378521006
EOS-3-46157,Cn1c(-c2ccc(Cl)nn2)nnc1-c1cncc2nnc(-c3cccnc3Oc3ccccc3)n12,CTUZNRXVCBHVTK-UHFFFAOYSA-N,3,1,0.354,8,474,482.895,3.885,6,0.36,0.7,0.4,0.2692670139126859,0.40156603385648687,0.09001267904872867,0.16893119045987254,0.23244422931944353
EOS-3-46158,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cc3Cl)n12,MMXWALNLYLYJNH-UHFFFAOYSA-N,3,1,0.329,42,615,471.843,4.153,6,0.373,0.58,1.0,0.35546741141799737,0.4469107669111096,0.7018710163799603,0.7617281200740182,0.5664943286957713
EOS-3-46159,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)nc3Cl)n12,WXENOTSAXYPKSE-UHFFFAOYSA-N,3,1,0.524,35,143,453.89,4.119,5,0.357,0.6,1.0,0.7585412240422178,0.8587485436227812,0.5437941196628059,0.5956754163525461,0.6891898259200878
EOS-3-46160,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,PWTFFIITCNYMAR-UHFFFAOYSA-N,3,1,0.552,58,28,453.89,4.119,5,0.357,0.6,1.0,0.8278048111849771,0.8729782057432663,0.38160509903365086,0.4423788636830923,0.6311917449112466
EOS-3-46161,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c(Cl)c1,DJJXSPVIDIBECL-UHFFFAOYSA-N,3,1,0.483,16,353,470.295,4.612,5,0.349,0.68,1.0,0.812024535672675,0.8211911452265095,0.8517750668220135,0.8698427112603659,0.838708364745391
EOS-3-46162,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccnc(Cl)c5)cn4)n23)cc1,XFRJBVHFMWEIRP-UHFFFAOYSA-N,3,1,0.397,14,357,412.884,4.801,5,0.396,0.81,1.0,0.3921595504077856,0.42904016174354054,0.7733106024261531,0.7950191899115894,0.5973823761222672
EOS-3-46163,Oc1cccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c1-c1nnco1,ZOBSGGBWPUWVKI-UHFFFAOYSA-N,3,1,0.417,28,177,464.445,3.583,6,0.389,0.6,0.26,0.30939448975395795,0.16043280104173807,0.40001542046467,0.35029298882873006,0.305033925022274
EOS-3-46164,Cc1nc(F)cc(COc2cncc3nnc(-c4cccc(-c5cnnn5C)c4)n23)n1,LSRJWYPMGUUIBJ-UHFFFAOYSA-N,3,1,0.473,36,506,417.408,2.403,5,0.401,0.58,1.0,0.38089404427386747,0.3683092317181824,0.220187101637996,0.18002535809745734,0.2873539339318758
EOS-3-46165,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(-c2nnnn2C(C)(C)C)n1,ARGMMSQQDXQUOX-UHFFFAOYSA-N,3,1,0.506,36,404,476.932,3.531,5,0.374,0.67,1.0,0.5096549242683847,0.6902028647796586,0.04991090398190665,0.04029024741278871,0.3225147351106846
EOS-3-46166,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)n(C(C)C)n1,IPAPULVWYNNMKL-UHFFFAOYSA-N,3,1,0.506,4,463,460.929,4.567,5,0.366,0.65,1.0,0.5303783153999041,0.7143444589130286,0.33993557672537866,0.28476458090603796,0.46735573298608735
EOS-3-46167,FC(F)c1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccccn4)n23)cn1,BANDCIRCZVWTQC-UHFFFAOYSA-N,3,1,0.484,27,343,466.839,4.208,5,0.343,0.65,1.0,0.7617709546981015,0.8703224590500994,0.6444726201082859,0.6226183949009664,0.7247961071893633
EOS-3-46168,Fc1ncccc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ncc1Cl,XRJIKFASQXROEP-UHFFFAOYSA-N,3,1,0.383,51,196,469.267,4.063,5,0.355,0.62,0.709,0.7558683434994174,0.8094887259269412,0.6349976012610513,0.7249588787608799,0.7313283873620725
EOS-3-46169,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(C)c4)n23)nn1C,ZBSQKSAXJUWQTI-UHFFFAOYSA-N,3,1,0.411,31,569,429.488,2.733,5,0.392,0.54,1.0,0.07522616681516003,0.005131587965184018,0.08242238366116099,0.0467325748749229,0.05237817832910699
EOS-3-46170,CCn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nn2)c(C)n1,GUVBMBATHXKSKK-UHFFFAOYSA-N,3,1,0.436,53,44,466.958,4.11,5,0.356,0.61,0.998,0.3877989856761017,0.35363408950723046,0.09220581180179563,0.11157562881228154,0.23630362894935236
EOS-3-46171,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cnn2)cc1,HFZBVZGRADHFFL-UHFFFAOYSA-N,3,1,0.506,72,639,452.902,4.724,5,0.371,0.62,1.0,0.8537111918305805,0.9163011445411555,0.6939037763004592,0.7739959564114866,0.8094780172709205
EOS-3-46173,Cc1cnc(-c2cc(-c3nnc4cncc(CCc5ccccn5)n34)ccc2F)cn1,NGPWZZFXYOCJTO-UHFFFAOYSA-N,3,1,0.379,14,886,411.444,3.876,5,0.437,0.71,1.0,0.4322099239257076,0.5050716194914674,0.4612774998286615,0.4643958604619286,0.4657387259269413
EOS-3-46174,N=c1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccc2Cl)n[nH]1,XYOHZOROOJPOMP-UHFFFAOYSA-N,3,1,0.528,37,619,463.864,2.865,5,0.396,0.58,1.0,0.9146305942019053,0.8989873894866699,0.5271143170447536,0.5580580494825578,0.7246975875539716
EOS-3-46175,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4cccnc4Cl)n23)c1,UFYNQRIJWFHUJX-UHFFFAOYSA-N,3,1,0.511,26,448,463.904,4.484,5,0.331,0.64,0.999,0.6207508052909327,0.6083287643067644,0.6721095195668563,0.6747309985607566,0.6439800219313274
EOS-3-46176,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)nc(C)n2)cn1,ATBDSKXBIQXNEX-UHFFFAOYSA-N,3,1,0.482,7,330,416.47,3.296,5,0.43,0.61,1.0,0.40288534027825373,0.27417586183263654,0.08745973545336166,0.062033102597491604,0.20663851004043587
EOS-3-46177,Cc1ccc(CCOc2cncc3nnc(-c4cncnc4-c4ccccn4)n23)nn1,SLXXMPFKWBYPRJ-UHFFFAOYSA-N,3,1,0.457,58,579,411.429,2.363,5,0.415,0.66,1.0,0.39012918922623535,0.29504489068603934,0.05924885203207457,0.056113357549174146,0.20013407237338085
EOS-3-46178,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5cccs5)c(F)c4)n23)ccc1F,OYACRIDMCVGAPH-UHFFFAOYSA-N,3,1,0.539,11,275,449.486,5.123,5,0.36,0.72,1.0,0.9253049825234734,0.9011719553149201,0.7711089027482695,0.7538636830923172,0.8378623809197451
EOS-3-46179,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)ccc1-c1cnccn1,ZHZDYFSSYDKUMW-UHFFFAOYSA-N,3,1,0.512,13,573,464.316,5.305,5,0.348,0.77,1.0,0.5956240148036461,0.6267305188129669,0.6320505791241177,0.7060088410664108,0.6401034884517854
EOS-3-46180,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5Cl)n4)n23)cc1,BOJJCNLSRUDIEA-UHFFFAOYSA-N,3,1,0.3,3,289,464.92,5.063,6,0.362,0.68,0.999,0.046783976423822905,0.23841751764786512,0.5237046809677198,0.6168442875745322,0.35643761565348503
EOS-3-46181,Cc1nc(-c2ccncc2)c(-c2nnc3cncc(Oc4ccc(-c5cccc(F)c5)cn4)n23)o1,XDYJYINEBQVXTB-UHFFFAOYSA-N,3,1,0.392,41,667,465.448,5.143,6,0.345,0.75,1.0,0.6095367007059146,0.5184274552806525,0.5673959975327256,0.5580666164073744,0.5633566924816669
EOS-3-46182,C#Cc1ccc(COc2ccc(F)cc2-c2cncc3nnc(-c4ccc(C)cc4)n23)cc1,MUGIRKDVGLCSRG-UHFFFAOYSA-N,3,1,0.415,62,504,434.474,5.466,5,0.345,0.81,1.0,0.6010725789870468,0.7279744362963471,0.9609690905352615,0.9419333835926256,0.8079873723528201
EOS-3-46183,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)s5)n34)nc2)n1,FILVSSYADQLOBT-UHFFFAOYSA-N,3,1,0.295,70,687,429.49,4.693,6,0.401,0.6,1.0,0.10788328421629771,0.16044136796655473,0.2488006305256665,0.2671424165581523,0.19606692481666782
EOS-3-46184,CCc1nc(F)cc(-c2cc(-c3nnc4cncc(OCCc5cccs5)n34)cnn2)c1F,CMGFGMMUJPWWFB-UHFFFAOYSA-N,3,1,0.521,87,778,465.489,4.167,5,0.333,0.69,0.713,0.7348793776985814,0.7097268864368447,0.40727160578438765,0.4012147899390035,0.5632731649647043
EOS-3-46186,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)cc1)N1CCCCC1,GZEUXHKDBZPYQY-UHFFFAOYSA-N,3,1,0.385,62,376,478.531,5.286,6,0.328,0.87,1.0,0.13259886231238435,0.1340723733808512,0.07147385374545953,0.2935628126927558,0.15792697553286272
EOS-3-46187,Cn1nc(-c2cncnc2)cc1-c1nnc2cncc(OCc3cc(F)cnc3F)n12,BCESXBGHKJLFIZ-UHFFFAOYSA-N,3,1,0.409,46,435,421.371,2.234,5,0.398,0.54,0.999,0.4230861489959564,0.30491398807484066,0.42528784867384006,0.39812213008018643,0.3878525289562059
EOS-3-46188,O=c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(-c2ccccn2)[nH]1,HTDDGHQDHQRXHD-UHFFFAOYSA-N,3,1,0.588,35,393,411.425,2.558,5,0.457,0.66,0.998,0.38547734905078473,0.1528682064286204,0.3853231444040847,0.35341134946199715,0.31927001233637176
EOS-3-46189,COCc1ncc(-c2nnc3cncc(-c4ncc(-c5nnco5)nc4OC)n23)cn1,ARJVXRIBEKBANN-UHFFFAOYSA-N,3,1,0.275,50,489,418.377,1.243,5,0.39,0.54,0.995,0.24001096566376534,0.09173463093687889,0.012036529367418272,0.005028784867384004,0.08720272770886163
EOS-3-46190,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4nnc(-c5nncn5C)cc4F)n23)cn1,AMFIVDZVHYNBCX-UHFFFAOYSA-N,3,1,0.374,99,502,471.42,1.499,6,0.359,0.53,1.0,0.4821979302309643,0.46873072441916247,0.026446096909053526,0.024869782742786648,0.25056113357549176
EOS-3-46191,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1F,RYUUQJGRJPOREQ-UHFFFAOYSA-N,3,1,0.489,26,911,467.867,4.58,5,0.34,0.68,1.0,0.7789219381810705,0.7143530258378452,0.8650109656637653,0.8463522034130628,0.801159533273936
EOS-3-46192,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)c1,OAEPRTNDJJSBEM-UHFFFAOYSA-N,3,1,0.426,26,448,414.473,3.296,5,0.424,0.65,1.0,0.17331745596600645,0.12012541977931601,0.19226749366047563,0.11636453978479885,0.15051872729764923
EOS-3-46193,Cc1cccc(-c2nnccc2-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)c1,JTGVYKHECDODSO-UHFFFAOYSA-N,3,1,0.327,82,204,408.425,2.718,5,0.485,0.68,1.0,0.11603042971694881,0.03510725789870468,0.21655472551572888,0.19904393119045988,0.14168408608046057
EOS-3-46194,Cc1ccc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)cc1-c1ccccn1,ODQRDHOIBHQGOX-UHFFFAOYSA-N,3,1,0.522,11,201,460.9,4.971,5,0.333,0.68,1.0,0.9596497841134947,0.9458913028579261,0.7868720444109383,0.7903844835857721,0.8706994037420328
EOS-3-46195,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnoc6CO)on5)n34)cc2F)cn1C,PJFWWDKKNLQGMH-UHFFFAOYSA-N,3,1,0.297,42,478,472.44,3.442,6,0.4,0.6,1.0,0.3579689534644644,0.3536426564320472,0.3890411897745185,0.34062949763552874,0.36032057432663966
EOS-3-46196,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ncn1,NSNUPCABHJCXTA-UHFFFAOYSA-N,3,1,0.44,44,488,452.371,4.384,5,0.291,0.73,0.89,0.8299808100884106,0.7973408265369063,0.9609776574600781,0.9597868549105613,0.8870215372489891
EOS-3-46197,CCc1nc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)ccc1-c1cncs1,RGSLMCAQZVNPRD-UHFFFAOYSA-N,3,1,0.4,7,535,466.477,4.179,5,0.352,0.66,0.919,0.4600866972791447,0.505080186416284,0.37009115208004933,0.28164622027277086,0.4042260640120623
EOS-3-46198,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)ccn1,XPOLYHVKFCZEJQ-UHFFFAOYSA-N,3,1,0.469,87,307,465.851,4.196,5,0.347,0.61,1.0,0.7958587485436228,0.8357035158659447,0.8466434788568296,0.8583630320060311,0.8341421938181071
EOS-3-46199,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)s4)n23)cc1F,OXJRXTYMBLJWLK-UHFFFAOYSA-N,3,1,0.346,30,74,453.506,5.121,6,0.37,0.66,1.0,0.2481666780892331,0.4109468165307381,0.5896871359056953,0.6517288054280036,0.47513235898841755
EOS-3-46200,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cncc(-c5ccncc5F)c4)n23)c1,UTNSGVMTTYUVFT-UHFFFAOYSA-N,3,1,0.58,84,884,464.863,4.801,5,0.359,0.66,1.0,0.8942156123637859,0.9060979370845041,0.9290144609690906,0.9394575423206086,0.9171963881844973
EOS-3-46201,CCOc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)ncn1,QDLFNDJQNQSDOV-UHFFFAOYSA-N,3,1,0.469,75,525,474.912,3.712,5,0.31,0.69,1.0,0.5807946679459941,0.6513604276608869,0.34368788979507914,0.29357137961757246,0.4673535912548832
EOS-3-46202,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)F)nn5)n34)cc2F)n[nH]1,DXCOKMPCEVVEPW-UHFFFAOYSA-N,3,1,0.489,36,52,453.388,3.331,5,0.416,0.49,1.0,0.646768555959153,0.7188249605921458,0.5834589815639778,0.4949112466588993,0.6109909361935439
EOS-3-46203,COc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccncc6)c(OC)c5)n34)nn2)c1,LCOBDWGLUNVYRO-UHFFFAOYSA-N,3,1,0.326,3,620,476.5,4.118,6,0.354,0.65,1.0,0.01745082585155233,0.019678226303885958,0.5740781988897266,0.4487783565211432,0.264996401891577
EOS-3-46204,CCc1nc(-c2nnc3cncc(OCc4cnc(F)cc4Cl)n23)ccc1-c1ncco1,WJEDFBPEMBORIC-UHFFFAOYSA-N,3,1,0.4,46,717,451.849,4.17,5,0.354,0.61,0.999,0.6207593722157494,0.584589815639778,0.4361592762661915,0.4456257281886094,0.5217835480775821
EOS-3-46205,Fc1cnc(F)c(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cnn2)c1,ADNZDNRQBLKYFI-UHFFFAOYSA-N,3,1,0.443,87,778,471.88,4.258,5,0.342,0.67,1.0,0.8444503461037626,0.8289527791104105,0.6721180864916729,0.7303646083201973,0.768971455006511
EOS-3-46206,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)cn6)cc5)n34)cc2F)n1,OGERUDZWAGEBMU-UHFFFAOYSA-N,3,1,0.321,9,192,478.466,4.959,6,0.353,0.74,1.0,0.3346326502638613,0.46443869508601193,0.7591751764786512,0.7789990405044205,0.5843113905832362
EOS-3-46207,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5c(C)noc5C)cn4)n23)cc1,YCCYSQHKQMWDEQ-UHFFFAOYSA-N,3,1,0.577,89,744,412.453,4.346,5,0.424,0.79,1.0,0.4161469398944555,0.310037009115208,0.4000239873894867,0.27881056815845384,0.351254626139401
EOS-3-46208,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cn5)c4)n23)c1Cl,NZFXKUXSRNUHOB-UHFFFAOYSA-N,3,1,0.53,24,910,467.291,5.273,5,0.35,0.75,1.0,0.9348142690699747,0.9061065040093208,0.927172572133507,0.9467394284147762,0.9287081934068946
EOS-3-46209,Fc1cccc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1F,CIIGENWNOJLVJM-UHFFFAOYSA-N,3,1,0.446,59,390,451.824,4.154,5,0.371,0.57,1.0,0.7846103762593379,0.92541635254609,0.7909756013981222,0.8306318963744774,0.8329085566445069
EOS-3-46210,Clc1cc(-c2ccc(-c3nnc4cncc(OCc5sncc5Cl)n34)nn2)ccn1,KPOQVHWHZYHMNB-UHFFFAOYSA-N,3,1,0.404,54,411,457.306,3.986,5,0.365,0.63,0.938,0.46973305462271264,0.5004454800904667,0.32904701528339386,0.4887944623397985,0.44700500308409297
EOS-3-46211,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)c1,SZBIUIOXNWEBNP-UHFFFAOYSA-N,3,1,0.506,59,607,470.842,4.842,5,0.344,0.7,1.0,0.7585497909670345,0.7636042766088684,0.9686107874717291,0.9669916386813789,0.8644391234322528
EOS-3-46212,c1ccc(-c2nsc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)n2)cc1,DETVYAKAFPXHAN-UHFFFAOYSA-N,3,1,0.388,93,203,423.461,4.632,6,0.408,0.63,1.0,0.12678192036186692,0.14897025563703653,0.27410732643410324,0.3503015557535467,0.22504026454663834
EOS-3-46213,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5ncccn5)s4)n23)cc1Cl,PQAGZEHYMBVVNR-UHFFFAOYSA-N,3,1,0.398,96,121,456.865,5.232,5,0.36,0.71,1.0,0.4649612774998287,0.7421955314920157,0.8785638407237338,0.8840124049071345,0.7424332636556781
EOS-3-46215,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)s5)n34)nc2)s1,OFQCMEHZTPOCPR-UHFFFAOYSA-N,3,1,0.26,76,272,456.56,4.747,6,0.381,0.64,0.952,0.023250633952436435,0.06788431224727572,0.1566376533479542,0.16356829552463847,0.10283522376807622
EOS-3-46216,CCc1nc(-c2nnc3cncc(Oc4ncc(F)cc4C)n23)ccc1-c1nccc(OC)n1,SZMPEEXHPKFYER-UHFFFAOYSA-N,3,1,0.315,49,717,458.457,3.849,5,0.374,0.58,0.95,0.6680744979782057,0.5551795627441574,0.147385374545953,0.08165992735247755,0.3630748406551984
EOS-3-46217,CCOC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4F)n23)cc1F,IUOVNSGNOJTSDC-UHFFFAOYSA-N,3,1,0.317,96,648,474.427,4.496,5,0.332,0.72,1.0,0.5172109519566856,0.5004540470152834,0.7093927763689946,0.5927369611404291,0.5799486841203482
EOS-3-46218,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccccn5)n34)c(Cl)cc2Cl)nc1,ZCLIOPGITDTSFR-UHFFFAOYSA-N,3,1,0.638,59,71,467.291,5.273,5,0.35,0.77,1.0,0.7529213213624837,0.9061150709341375,0.9011805222397368,0.9298625865259407,0.8725198752655746
EOS-3-46219,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)n5)n34)cnn2)nc1,YMOAKEOUYGIWFB-UHFFFAOYSA-N,3,1,0.392,7,94,415.392,2.46,5,0.427,0.56,0.996,0.49971729148105,0.4777002947022137,0.2524929751216503,0.22524158727983004,0.363788037146186
EOS-3-46220,Clc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cnn2)c1,ZIDKZCUOQSVMBP-UHFFFAOYSA-N,3,1,0.44,53,778,466.292,3.362,5,0.371,0.51,0.995,0.6180779247481324,0.6902114317044754,0.34369645671989585,0.47659516140086355,0.5321452436433418
EOS-3-46221,Cn1nnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(C#N)nc4)n23)c1,FYDANMFMGYOGCA-UHFFFAOYSA-N,3,1,0.529,92,728,411.389,1.222,5,0.414,0.7,1.0,0.3670755945445823,0.3442533068329792,0.10182646837091358,0.0964978411349462,0.2274133027208553
EOS-3-46222,Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc(-c2cncc(F)c2)n1,GAJRPVHUOBVZCU-UHFFFAOYSA-N,3,1,0.505,35,578,461.888,4.366,5,0.347,0.6,1.0,0.8942241792886025,0.8646168871221986,0.7094013432938112,0.7090072647522445,0.7943124186142143
EOS-3-46223,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccn6C)[nH]5)n34)cc2)sn1,LBTKFEWSRZUJQB-UHFFFAOYSA-N,3,1,0.247,42,303,438.52,4.619,6,0.434,0.57,1.0,0.0232592008772531,0.021948461380302927,0.36272359673771504,0.3374854362278117,0.18635417380577068
EOS-3-46224,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)o1,VVMRTWSOVSUZFH-UHFFFAOYSA-N,3,1,0.617,91,655,449.873,5.169,5,0.356,0.69,1.0,0.9085823452813379,0.8556473168391474,0.8517836337468302,0.8387190734014118,0.8636830923171819
EOS-3-46225,Fc1cnc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c1,UJFLKPVWJUDCRE-UHFFFAOYSA-N,3,1,0.483,75,420,418.367,2.896,5,0.402,0.57,1.0,0.8579004180659311,0.6658042629017887,0.5474350627098896,0.5080529093276678,0.6447981632513193
EOS-3-46226,CCOc1cncc(-c2cnc(-c3cncc4nnc(-c5cccnc5-c5cccnn5)n34)nc2)n1,SJKSYWHOYQGHHH-UHFFFAOYSA-N,3,1,0.282,86,812,475.476,2.956,6,0.351,0.59,0.999,0.31963196490987594,0.21299088479199507,0.08243095058597766,0.07250188472345967,0.1718889212528271
EOS-3-46227,Cc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3ccnc(-c4nc(=O)n(C)[nH]4)c3)n12,AYGNNOHJSIPCLQ-UHFFFAOYSA-N,3,1,0.262,42,608,462.477,2.708,6,0.423,0.52,1.0,0.1877013227331917,0.08554074429442807,0.13243609074086765,0.12544548009046672,0.13278090946473853
EOS-3-46228,FCCn1cncc1-c1ccnc(-c2nnc3cncc(COc4ccccn4)n23)c1,KBONMZIGYHTHNU-UHFFFAOYSA-N,3,1,0.337,85,211,416.42,2.993,5,0.402,0.58,0.993,0.22065828250291275,0.11106161332328147,0.23804057295593173,0.20517784935919403,0.19373457953533
EOS-3-46229,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3cnc(C(F)F)cn3)n12,NIIXHGUFNBOAIX-UHFFFAOYSA-N,3,1,0.441,7,456,465.424,2.902,5,0.357,0.54,0.98,0.4623397985059283,0.3729525049688164,0.3816136659584676,0.21422452196559524,0.35778262284970186
EOS-3-46230,Cc1ccc(-c2cc(-c3nnc4cncc(COc5cccc(C)n5)n34)ccn2)nn1,XKJPOOGUEKLDDD-UHFFFAOYSA-N,3,1,0.33,14,241,410.441,3.234,5,0.435,0.71,1.0,0.25866116098965114,0.16439928723185526,0.2097611541361113,0.1317593036803509,0.19114522650949214
EOS-3-46231,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)nn1,CIPOCQHFZMNFFN-UHFFFAOYSA-N,3,1,0.415,53,785,450.915,3.683,5,0.386,0.54,0.998,0.5146066068124187,0.5460472208895895,0.2380491398807484,0.2788191350832705,0.3943805256665068
EOS-3-46232,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5nc(C)cc(C)n5)n34)cc(Cl)n2)nc1,CMJACCNKILEWBZ-UHFFFAOYSA-N,3,1,0.446,24,567,458.913,4.196,5,0.361,0.57,0.999,0.5726046878212597,0.560396819957508,0.2557484065519841,0.21687170173394557,0.40140540401617436
EOS-3-46233,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ccn2)[nH]c1F,BMJLLNSWMURYQR-UHFFFAOYSA-N,3,1,0.512,75,239,422.449,3.102,5,0.448,0.53,1.0,0.5751319306421767,0.555188129668974,0.16309711465972174,0.1505722705777534,0.3609973613871565
EOS-3-46234,c1ccc(-n2nccc2-c2ccc(-c3nnc4cncc(-c5cn(-c6cccnc6)nn5)n34)cc2)cc1,RTERTGYMEXKJMN-UHFFFAOYSA-N,3,1,0.308,30,465,482.511,4.287,7,0.36,0.71,1.0,0.019189911589335893,0.038028579261188404,0.4072801727092043,0.44878692344595983,0.2283213967514221
EOS-3-46235,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)cs2)n1,MNMMGONXHIBVRI-UHFFFAOYSA-N,3,1,0.437,65,359,416.47,3.03,5,0.416,0.62,1.0,0.4485556164759098,0.3049225549996573,0.04806044822150641,0.03778870536632171,0.20983183126584884
EOS-3-46236,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(C(F)(F)F)n5)no4)n23)cn1,VNRBLKQDCDVSCS-UHFFFAOYSA-N,3,1,0.453,27,69,458.335,3.368,5,0.289,0.72,0.998,0.6291977931601672,0.7051521485847441,0.7591837434034678,0.637327804811185,0.6827153724898911
EOS-3-46238,Cn1cc(-c2cc(C#N)cnc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)nn4)n23)cn1,MJPWSRDCUSFVHZ-UHFFFAOYSA-N,3,1,0.27,10,37,479.895,3.36,6,0.376,0.62,0.949,0.009483585772051264,0.11386299773833185,0.45782502912754436,0.554725515728874,0.2839742820917004
EOS-3-46239,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)s1,JXZVVAQGNRFRRQ-UHFFFAOYSA-N,3,1,0.511,65,361,416.47,3.03,5,0.416,0.6,1.0,0.6040967034473306,0.5508532657117401,0.13531457747926803,0.1069323555616476,0.3492992255499966
EOS-3-46240,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnco5)c4)n23)o1,COFUWJLHROIMRF-UHFFFAOYSA-N,3,1,0.256,70,369,410.397,3.502,6,0.434,0.74,1.0,0.1187975464327325,0.0164998971969022,0.2416729490781989,0.23426255911178123,0.15280823795490373
EOS-3-46241,Cc1ccc(-c2nnc3cncc(OCc4scnc4-c4cccc(Cl)c4)n23)c(F)n1,LBZLAYHENWNHEI-UHFFFAOYSA-N,3,1,0.467,97,666,452.902,4.99,5,0.349,0.76,1.0,0.7499400315262833,0.8134637790418752,0.5929597011856624,0.6489017202385032,0.7013163079980811
EOS-3-46242,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)[nH]c(=N)n2)nc1,WZBMLGGUCNCLLV-UHFFFAOYSA-N,3,1,0.394,31,460,442.487,2.028,5,0.411,0.61,1.0,0.10789185114111438,0.008164279350284421,0.06133918168734151,0.027748269481187034,0.05128589541498184
EOS-3-46243,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nnccc4-c4ccsc4)n23)cc1,LFPULOCJJMJUDN-UHFFFAOYSA-N,3,1,0.489,40,25,466.53,4.289,6,0.361,0.6,1.0,0.4556661640737441,0.32042868891782605,0.3627321636625317,0.3215166883695429,0.36508592625591113
EOS-3-46244,Clc1ccc(-c2nnc3cncc(OCc4ccncc4-c4ccccc4)n23)cc1,QURGSQFMODPORR-UHFFFAOYSA-N,3,1,0.649,1,709,413.868,5.086,5,0.401,0.84,1.0,0.9706497155780961,0.9666832293879789,0.8733979850592831,0.8990730587348366,0.9274509971900486
EOS-3-46245,COc1nc(-c2nncn2C)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,UUZOJBJIYDMENM-UHFFFAOYSA-N,3,1,0.444,31,180,481.879,2.799,5,0.345,0.65,0.973,0.5483517236652731,0.5276283325337536,0.16310568158453842,0.17437975464327324,0.3533663731067096
EOS-3-46246,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cc[nH]n5)s4)n23)nc1,BVJAOTYLXABEDA-UHFFFAOYSA-N,3,1,0.274,76,114,423.465,3.762,6,0.459,0.52,0.549,0.037951476937838395,0.10114968131039682,0.12385203207456652,0.17438832156808992,0.10933537797272291
EOS-3-46247,Cn1nnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cncc(Br)n5)n34)c2)n1,IECZMOXLQOXGMJ-UHFFFAOYSA-N,3,1,0.512,36,404,483.265,2.252,5,0.371,0.65,1.0,0.3322082105407443,0.39649441436501953,0.14739394147076965,0.17174114179973957,0.26195942704406827
EOS-3-46248,O=C(NC1(F)CC1F)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)cc1,FCTXOKNNIDZOBD-UHFFFAOYSA-N,3,1,0.349,61,331,476.422,3.316,6,0.391,0.56,1.0,0.10037865807689672,0.26906140771708587,0.812024535672675,0.7879943115619217,0.4923647282571448
EOS-3-46249,C#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(OC)n4)n23)cc1Cl,AUGJWFXQTMRQAS-UHFFFAOYSA-N,3,1,0.412,49,501,469.892,3.866,5,0.345,0.63,0.999,0.7167089301624289,0.6083373312315811,0.5063909259132342,0.42038756767870605,0.5629561887464876
EOS-3-46250,c1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ncccn6)s5)n34)[nH]2)nc1,GMSVIVFXBZTXET-UHFFFAOYSA-N,3,1,0.366,80,242,454.479,3.069,6,0.403,0.5,1.0,0.2586697279144678,0.19877835652114317,0.06134774861215818,0.0532777054348571,0.14301838462065655
EOS-3-46251,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)nn1,VGINEJOLSFHRGD-UHFFFAOYSA-N,3,1,0.376,53,411,421.371,2.234,5,0.398,0.52,0.534,0.5670361866904257,0.41562435748063875,0.439962990884792,0.41070694263587143,0.45833261942293196
EOS-3-46252,COc1ncc(-c2nnc3cncc(-c4cc(-c5cn(C)nn5)cnc4OC)n23)cn1,LQHJOHZIHUMASH-UHFFFAOYSA-N,3,1,0.281,50,489,416.405,1.456,5,0.415,0.61,1.0,0.08365602083476116,0.009552121170584607,0.05169282434377356,0.015189157699952025,0.04002253101226784
EOS-3-46253,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCCCc3ncccc3F)n12,BHCDKXICSUZMJB-UHFFFAOYSA-N,3,1,0.417,49,804,460.473,3.141,5,0.325,0.59,0.997,0.5808032348708108,0.44691933383592625,0.09936776094852992,0.0781903228017271,0.30132016311424853
EOS-3-46254,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1)c1cccc(Cl)n1,HTDAHDGWAATTHU-UHFFFAOYSA-N,3,1,0.373,96,155,448.273,4.181,5,0.3,0.66,1.0,0.2692755808375026,0.442361729833459,0.5961551641422795,0.6892348022753753,0.49925681927215415
EOS-3-46255,Fc1ccc(-c2ncnnc2-c2nnc3cncc(OCc4ncc(-c5ccncc5)cn4)n23)cc1,YOBUNWXNCOKADT-UHFFFAOYSA-N,3,1,0.4,6,518,478.451,3.213,6,0.352,0.63,1.0,0.4945000342676993,0.47770886162703036,0.2962271263107395,0.3470546912480296,0.4038726783633747
EOS-3-46257,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)s4)n23)nc1,RSQOBDUNLDDQOL-UHFFFAOYSA-N,3,1,0.309,30,737,447.527,5.347,6,0.362,0.75,0.992,0.05302069769035707,0.07859296826811048,0.347637242135563,0.429828318826674,0.22726980673017616
EOS-3-46258,Cc1ncc(-c2cnc(-c3nnc4cncc(OCc5ccns5)n34)nc2Cl)cc1F,CXJHKUBZMKXCFG-UHFFFAOYSA-N,3,1,0.424,2,85,454.878,3.78,5,0.369,0.57,1.0,0.5431258995271058,0.47313412377492975,0.3217822630388596,0.36656157905558223,0.42615096634911936
EOS-3-46259,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nc1,OZRPXPHBMCPJFK-UHFFFAOYSA-N,3,1,0.344,6,318,466.44,3.37,6,0.376,0.54,1.0,0.49450860119251594,0.4599153587828113,0.2665769995202522,0.2906500582550888,0.3779127544376671
EOS-3-46260,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccnc(C(F)(F)F)n3)n12,QLHKVKPAXSTPGS-UHFFFAOYSA-N,3,1,0.5,27,710,480.41,3.645,5,0.359,0.67,1.0,0.6408573778356521,0.6658128298266054,0.59944486327188,0.3566325131930642,0.5656868960318004
EOS-3-46261,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)cnn1,CPPKGIXKFAOKNE-UHFFFAOYSA-N,3,1,0.479,65,65,451.853,2.791,5,0.362,0.52,1.0,0.5483602905900897,0.5845983825645946,0.33642313755054487,0.36964567198958265,0.45975687067370297
EOS-3-46262,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(C#N)c(Cl)c4)n23)c(F)c1,HSFRVLXMPUOHLJ-UHFFFAOYSA-N,3,1,0.469,26,448,474.887,4.313,5,0.361,0.67,1.0,0.7408333904461655,0.7279830032211637,0.7929545610307724,0.7564594613117676,0.7545576040024673
EOS-3-46263,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCc3cc(Cl)ccn3)n12,AHFFADVPDMFUKG-UHFFFAOYSA-N,3,1,0.595,57,80,431.858,5.225,5,0.381,0.7,1.0,0.7985744637105064,0.910201494071688,0.907622849701871,0.932561167843191,0.8872399938318142
EOS-3-46264,Clc1cccc(OCc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)n1,LCDDFVXHHBSTJL-UHFFFAOYSA-N,3,1,0.375,14,767,415.844,3.876,5,0.402,0.64,1.0,0.40948187238708794,0.48642142416558154,0.5304468507984373,0.5547340826536906,0.4952710575011993
EOS-3-46265,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5conn5)ncc4Cl)n23)cc1,CNJWDEKSJNFEBW-UHFFFAOYSA-N,3,1,0.524,43,51,455.812,4.406,5,0.371,0.63,0.999,0.8647196902199986,0.7807295593173874,0.8979165238845864,0.8868566239462683,0.8575555993420602
EOS-3-46266,Fc1nc(-c2nnc3cncc(OCCc4cncs4)n23)ccc1-c1ccccn1,LLZRRVWWQXJECC-UHFFFAOYSA-N,3,1,0.494,18,773,419.445,3.465,5,0.389,0.62,1.0,0.6621547529298882,0.6223014186827497,0.26658556644506887,0.28742889452402165,0.4596176581454321
EOS-3-46267,Fc1c(CCOc2cncc3nnc(-c4cc(-c5ccccc5)cnn4)n23)ccnc1Cl,UJSRVRGJYPZURG-UHFFFAOYSA-N,3,1,0.467,19,207,447.861,4.057,5,0.362,0.55,0.999,0.7408419573709821,0.7422040984168323,0.6693938043999725,0.7358902748269481,0.7220825337536838
EOS-3-46268,Cc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)cn1,BKUGHBYWDUFOME-UHFFFAOYSA-N,3,1,0.477,13,616,414.856,5.002,5,0.411,0.77,1.0,0.620767939140566,0.6804280035638407,0.7354876293605648,0.7488948666986499,0.6963946096909053
EOS-3-46269,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)cn1,HGLFGXDYTROUAC-UHFFFAOYSA-N,3,1,0.548,92,45,410.401,1.827,5,0.425,0.7,1.0,0.4846994722774313,0.34898224933177985,0.20976972106092798,0.1689397573846892,0.30309780001370706
EOS-3-46270,CCn1cnnc1-c1ccc(F)c(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,KPRWUIIICLICLH-UHFFFAOYSA-N,3,1,0.538,37,908,464.892,3.879,5,0.337,0.64,1.0,0.7439003495305325,0.797349393461723,0.4683880474264958,0.5115310808032348,0.6302922178054965
EOS-3-46271,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5c(F)ccc(Cl)c5F)cn4)n23)cc1,MOTOIVHOUCXYKA-UHFFFAOYSA-N,3,1,0.55,59,210,464.863,5.067,5,0.338,0.73,1.0,0.9668374340346789,0.9617486806935782,0.9085994791309712,0.9083853060105544,0.9363927249674457
EOS-3-46272,CCn1nc(C)nc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ncn1,MKIHMMMXLPMQEC-UHFFFAOYSA-N,3,1,0.4,92,185,448.878,2.796,5,0.361,0.54,1.0,0.26928414776231924,0.4864299910903982,0.032108834212870946,0.045379000753889384,0.20830049345486942
EOS-3-46273,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)nc2F)ns1,WLNDGJGXFQHVEN-UHFFFAOYSA-N,3,1,0.383,7,94,455.866,3.175,5,0.368,0.6,1.0,0.4578421629771777,0.5276368994585704,0.11540504420533206,0.1557124254677541,0.3141491330272086
EOS-3-46274,Fc1c(CCOc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)ccnc1Cl,JTSYHFAGRFXDES-UHFFFAOYSA-N,3,1,0.59,75,496,453.89,4.119,5,0.357,0.6,1.0,0.719904393119046,0.7723254060722363,0.6114899595641149,0.6254454800904667,0.682291309711466
EOS-3-46275,Fc1ccc(-c2ccc(F)nc2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,BUIKHPSOMFDHHQ-UHFFFAOYSA-N,3,1,0.662,57,798,449.848,5.364,5,0.338,0.79,1.0,0.9887344938660818,0.9898224933177986,0.9694674799533959,0.9759098074155301,0.9809835686382016
EOS-3-46276,COc1ncc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cc1-c1cc(C)ccn1,ASLBCZGCWKIJSC-UHFFFAOYSA-N,3,1,0.431,65,657,474.912,3.63,5,0.349,0.64,0.999,0.5585120964978412,0.5551966965937907,0.2665941333698855,0.21115756288122817,0.3978651223356864
EOS-3-46277,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,GMZNCIXQBRMMPT-UHFFFAOYSA-N,3,1,0.506,11,0,452.902,4.724,5,0.347,0.69,1.0,0.8755739839627168,0.9036649304365705,0.6205708998697828,0.6688797889109726,0.7671724007950107
EOS-3-46278,COc1nc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1ncccn1,XWDGNPZFWCXSCO-UHFFFAOYSA-N,3,1,0.4,46,896,464.848,3.418,5,0.349,0.55,0.975,0.8444589130285792,0.6513689945857035,0.4214327325063395,0.3696542389143993,0.5717287197587553
EOS-3-46280,Cc1csc(-c2nncc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)n2)c1,CVTVUELPKDFUEB-UHFFFAOYSA-N,3,1,0.289,39,356,468.481,3.671,6,0.381,0.56,0.701,0.10564731683914742,0.24378041258309918,0.15061510520183674,0.254977383318484,0.18875505448564184
EOS-3-46281,c1coc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)c1,CBOLLKNMUCAFPX-UHFFFAOYSA-N,3,1,0.353,69,57,416.444,5.175,6,0.394,0.83,1.0,0.10790041806593105,0.12381776437529984,0.7569220752518676,0.7538722500171339,0.4356281269275581
EOS-3-46282,Cn1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5c(F)ccc(F)c5F)n34)c2)n1,NZAKRRRERGFZPH-UHFFFAOYSA-N,3,1,0.53,34,607,456.363,3.117,5,0.296,0.64,1.0,0.7470701117126997,0.7973579603865396,0.8191950517442259,0.8285929682681105,0.798054023027894
EOS-3-46283,Fc1ccc(C#Cc2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)nc1,FGABDBAFGHVXFW-UHFFFAOYSA-N,3,1,0.523,73,877,475.846,3.887,5,0.364,0.64,1.0,0.8905661023918854,0.954535329997944,0.8785724076485505,0.872961071893633,0.8991587279830032
EOS-3-46284,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCc4nc5ccc(Cl)cn5n4)n23)cc1,LUODMECPLJPLEH-UHFFFAOYSA-N,3,1,0.432,34,210,473.859,3.663,6,0.373,0.6,1.0,0.5509303680350901,0.6902199986292921,0.4035278596395038,0.5580751833321911,0.5506883524090193
EOS-3-46285,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)cn1,NEXHYEODJNRDAG-UHFFFAOYSA-N,3,1,0.608,57,913,419.366,5.063,5,0.381,0.75,1.0,0.8831043108765677,0.9036734973613871,0.9730141868274964,0.9733482968953464,0.9332850729901994
EOS-3-46286,COC(C)(F)c1ncc(-c2nnc3cncc(OCc4cnnc(-c5ccnnc5)n4)n23)cn1,JERIRLJTWOUZJL-UHFFFAOYSA-N,3,1,0.388,92,986,461.421,1.591,5,0.346,0.52,1.0,0.5558220821054074,0.4687392913439792,0.13532314440408472,0.06063669385237475,0.30513030292646154
EOS-3-46287,Cc1ccc(-c2nnc3cncc(OCc4cc(F)ncc4-c4ccccc4)n23)nc1,RHGKQMARZOJPDK-UHFFFAOYSA-N,3,1,0.429,1,348,412.428,4.275,5,0.401,0.78,1.0,0.7901360427660887,0.6853025837845247,0.7094099102186279,0.6747395654855733,0.7148970255637036
EOS-3-46288,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ccn2)cn1,ZEPHSWQCHDTTRX-UHFFFAOYSA-N,3,1,0.436,51,99,465.836,2.297,5,0.372,0.58,1.0,0.6894661092454253,0.6316565005825509,0.3034833116304571,0.30938592282914124,0.4834979610718936
EOS-3-46289,Cc1c(C#N)cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccn2)c1F,VVTCQSQQHLYVSE-UHFFFAOYSA-N,3,1,0.462,75,565,472.871,4.195,5,0.349,0.68,1.0,0.837553971626345,0.8324395175107944,0.7929631279555891,0.7692841477623192,0.8080601912137619
EOS-3-46290,Fc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4cncs4)n23)cc1,JZJYCGBOPOMASS-UHFFFAOYSA-N,3,1,0.543,97,232,438.875,4.681,5,0.371,0.66,1.0,0.8421030087039956,0.8812110204920841,0.6884380782674251,0.7643153313686519,0.7940168597080391
EOS-3-46291,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cnco5)o4)n23)cn1,MHDKWACNTYUEIG-UHFFFAOYSA-N,3,1,0.279,99,286,413.361,1.687,6,0.415,0.63,0.889,0.12117915153176616,0.06434617229799192,0.01865019532588582,0.01865876225070249,0.05570857035158659
EOS-3-46292,Fc1cc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccc5)n34)cn2)ccn1,OAZIRURHXLNMED-UHFFFAOYSA-N,3,1,0.347,30,20,451.49,5.178,6,0.344,0.72,0.997,0.1789973271194572,0.33917312041669523,0.5961637310670962,0.6545044890686039,0.44220966691796315
EOS-3-46293,Cc1nc(-c2nnc3cncc(COc4ccnc(C(F)F)n4)n23)ccc1-c1ncsn1,QHFUDZIPAQDINY-UHFFFAOYSA-N,3,1,0.31,7,920,453.438,3.32,5,0.382,0.53,0.993,0.4255962579672401,0.4201134260845727,0.15365636351175382,0.10268316085258036,0.27551230210403677
EOS-3-46294,COc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3)n12,ZBDSTEFIEAADTL-UHFFFAOYSA-N,3,1,0.308,64,885,465.448,4.718,6,0.36,0.64,1.0,0.6235950243300665,0.527645466383387,0.589695702830512,0.5643547392228085,0.5763227331916935
EOS-3-46295,Fc1cccc(CCOc2cncc3nnc(-c4cnc(F)c(-c5cc(Cl)ccn5)c4)n23)c1,JCPBSIFRGWBZOE-UHFFFAOYSA-N,3,1,0.562,84,159,464.863,4.801,5,0.336,0.68,1.0,0.9132256185319718,0.9289116578712905,0.8918682749640189,0.9118891782605716,0.9114736824069631
EOS-3-46296,Cc1nc(COc2cncc3nnc(-c4cncn4C)n23)cc(-c2cnc(C(F)(F)F)nn2)n1,KBUGTVMHJTVLSA-UHFFFAOYSA-N,3,1,0.375,31,828,469.391,2.073,5,0.376,0.52,0.996,0.2508138578575834,0.21299945171681173,0.26286752107463507,0.13176787060516756,0.21461217531354945
EOS-3-46297,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)s2)c(F)cn1,PXWJUVGGVROUAU-UHFFFAOYSA-N,3,1,0.542,34,71,456.865,4.82,5,0.353,0.74,1.0,0.8690888218764992,0.9394147076965252,0.815734014118292,0.8583715989308478,0.8706522856555412
EOS-3-46298,Cc1noc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)ccc2F)n1,XPJLSOVDVLAGEZ-UHFFFAOYSA-N,3,1,0.602,88,70,468.851,4.703,5,0.356,0.68,1.0,0.9265557535467068,0.8944726201082859,0.8120331025974916,0.8306404632992941,0.8659254848879445
EOS-3-46299,COc1ncc(-c2nnc3cncc(OCc4cc(-c5nc(C)n[nH]5)ncn4)n23)cn1,JTZXJOCZSVSMTF-UHFFFAOYSA-N,3,1,0.39,7,185,417.393,1.052,5,0.421,0.57,1.0,0.3094030566787746,0.17258926735658967,0.021280241244602836,0.005996847371667466,0.12731735316290865
EOS-3-46300,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,WWITYIATJNYSKG-UHFFFAOYSA-N,3,1,0.547,35,265,470.892,4.863,5,0.352,0.72,1.0,0.9039562058803372,0.9254249194709068,0.8338187924062779,0.8548934274552806,0.8795233363032007
EOS-3-46301,Fc1cc(F)cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cnn2)c1,YMAALULTFPVSOI-UHFFFAOYSA-N,3,1,0.5,37,141,465.851,4.196,5,0.371,0.55,1.0,0.7585583578918511,0.8587571105475978,0.79982523473374,0.8480056199026798,0.8162865807689672
EOS-3-46302,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1C,SDQYTBHIAUHTME-UHFFFAOYSA-N,3,1,0.458,26,561,459.941,4.653,5,0.329,0.68,1.0,0.5641576999520252,0.5508618326365567,0.48215509560688097,0.44563429511342606,0.5107022308272222
EOS-3-46303,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)ccc1Cl,XQRSETWZBPIIAB-UHFFFAOYSA-N,3,1,0.718,88,485,463.875,5.406,5,0.337,0.76,1.0,0.994739908162566,0.9876807621136316,0.9536700705914605,0.959795421835378,0.973971540675759
EOS-3-46304,Cc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4-c4ccn(C)n4)n23)ccc1Cl,FPALDPFEQWGADY-UHFFFAOYSA-N,3,1,0.506,16,772,466.332,4.781,5,0.371,0.68,0.997,0.5226252484408197,0.6752964155986567,0.7687358645740525,0.7880028784867384,0.6886651017750668
EOS-3-46305,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2Cl)ccn1,PXCFJNNHTJBNGM-UHFFFAOYSA-N,3,1,0.372,51,196,469.267,4.063,5,0.355,0.61,1.0,0.7259012404907135,0.7593636488246179,0.6235179220067165,0.7117915153176616,0.7051435816599274
EOS-3-46306,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ncn2)nc1,WXHGSHLTOIAHRR-UHFFFAOYSA-N,3,1,0.391,46,842,453.8,2.944,5,0.37,0.49,0.511,0.7818775272428209,0.6223099856075663,0.517125282708519,0.5580837502570077,0.6198491364539784
EOS-3-46307,Cc1csc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)n2)n1,XQHHAWJMMSKNPI-UHFFFAOYSA-N,3,1,0.523,4,401,470.345,4.899,5,0.361,0.76,1.0,0.6236035912548832,0.832448084435611,0.4718405181276129,0.5708399013090261,0.6246830237817833
EOS-3-46308,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,WBYAEASWWDOWGC-UHFFFAOYSA-N,3,1,0.389,65,658,412.417,1.758,5,0.406,0.63,0.915,0.4230947159207731,0.2384260845726818,0.05738982934685765,0.04538756767870605,0.19107454937975465
EOS-3-46309,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)ccn2)nc1,UBOFQRSKULGJFQ-UHFFFAOYSA-N,3,1,0.57,75,698,465.851,4.196,5,0.347,0.63,1.0,0.9085909122061545,0.9011805222397368,0.8036032485778904,0.8167877458707422,0.857540607223631
EOS-3-46310,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)sn2)o1,GCRMMGQIVJCFEX-UHFFFAOYSA-N,3,1,0.517,71,415,472.494,2.981,6,0.356,0.6,1.0,0.3554759783428141,0.20813343842094442,0.03474744705640463,0.025820711397436778,0.1560443938044
EOS-3-46311,Cc1cncc(COc2ccc(Cl)nc2-c2cncc3nnc(-c4ccc(F)cc4F)n23)c1,MUWHWVIPWAAZPS-UHFFFAOYSA-N,3,1,0.396,45,140,464.863,5.067,5,0.338,0.77,0.935,0.6437101637996024,0.7681447467617024,0.8904890000685354,0.894960934822836,0.7993262113631692
EOS-3-46312,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cc4)n23)cc1,VTYPIUUWEMVUMK-UHFFFAOYSA-N,3,1,0.433,83,472,410.408,4.963,5,0.453,0.9,1.0,0.34401343293811254,0.16044993489137138,0.9011890891645535,0.8797546432732506,0.571351775066822
EOS-3-46313,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccoc5F)n34)cnn2)c1,NPMQJTDUFIJIQS-UHFFFAOYSA-N,3,1,0.473,65,778,421.367,3.136,5,0.412,0.57,0.999,0.7135734356795285,0.5846069494894113,0.6414827633472688,0.6343208142005345,0.6434959906791857
EOS-3-46314,Fc1ccc(-c2cncs2)cc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,LTFYERGKWOPWOE-UHFFFAOYSA-N,3,1,0.438,73,379,457.853,4.215,5,0.365,0.68,1.0,0.7930316633541225,0.8324566513604277,0.6830751833321911,0.7358988417517648,0.7611155849496265
EOS-3-46315,COCc1cncc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)nc4Cl)n23)n1,ZURCYQQLCKXCFM-UHFFFAOYSA-N,3,1,0.337,7,828,463.849,1.602,5,0.322,0.56,0.689,0.48220649715578096,0.37296107189363303,0.04806901514632308,0.05912034815982455,0.24058923308889044
EOS-3-46316,c1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnno6)cn5)n34)cn2)n[nH]1,JSRBEIKZFOXCDV-UHFFFAOYSA-N,3,1,0.386,80,584,440.387,1.39,6,0.395,0.48,1.0,0.33700568843807827,0.29996230553080666,0.05739839627167432,0.04539613460352272,0.1849406312110205
EOS-3-46317,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCc3ccnc(-c4cccnc4)n3)n12,AOBQPFFJDAVZSV-UHFFFAOYSA-N,3,1,0.511,41,25,476.475,4.423,6,0.348,0.71,1.0,0.6863820163114248,0.785098690973888,0.6320591460489343,0.6109245425262148,0.6786160989651154
EOS-3-46318,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c(F)cc1-c1nnco1,RZOPHDDHAGTQDQ-UHFFFAOYSA-N,3,1,0.466,59,772,459.775,3.886,5,0.365,0.56,1.0,0.8299893770132273,0.7973665273113563,0.8966486190117195,0.8977366184634363,0.8554352854499347
EOS-3-46319,Cc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)nc1,FQQLOTMUDDEJTB-UHFFFAOYSA-N,3,1,0.565,84,752,460.9,4.971,5,0.356,0.67,1.0,0.8067216092111575,0.8556558837639641,0.840235419093962,0.8365859091220615,0.8347997052977862
EOS-3-46320,Cc1ccc(-c2nnc3cncc(-c4c(-c5cc(C)nc(F)c5)nc(C)n4C)n23)cn1,CXMKFADMGMXUFE-UHFFFAOYSA-N,3,1,0.4,82,336,414.448,3.713,5,0.418,0.69,1.0,0.19593413748200947,0.2999708724556233,0.2488091974504832,0.21116612980604482,0.23897008429854016
EOS-3-46321,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccnc(Cl)c5)c4)n23)nc1,IZXCDAGNWBEWBQ-UHFFFAOYSA-N,3,1,0.252,70,719,467.884,3.154,6,0.359,0.53,0.825,0.043879788910972516,0.1414227948735522,0.3290555822082105,0.38564868754711806,0.22500171338496333
EOS-3-46322,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5cc(F)ccn5)c4)n23)c1,KRIVXRMHYTUBII-UHFFFAOYSA-N,3,1,0.511,11,201,460.9,4.971,5,0.333,0.69,1.0,0.9132341854567885,0.8674011376876156,0.7888081694195052,0.8037231855253238,0.8432916695223083
EOS-3-46323,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cncs5)c4)n23)cc1,FYDSUTPOHTVYME-UHFFFAOYSA-N,3,1,0.61,1,230,417.469,4.941,5,0.405,0.75,1.0,0.9200448906860393,0.8392673565896785,0.8419231032828456,0.8058820505791241,0.8517793502844219
EOS-3-46324,Cc1nc(Cl)cc(-c2oc(C)nc2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)n1,KJRZRYXTIIYLIQ-UHFFFAOYSA-N,3,1,0.361,96,315,453.84,5.111,5,0.349,0.71,1.0,0.35548454526763074,0.5367521074635049,0.7044924953738606,0.7006031115070934,0.5743330649030224
EOS-3-46325,FCc1cc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)ncn2)ccn1,GHZDTHYJAVSFQJ-UHFFFAOYSA-N,3,1,0.371,46,980,466.839,3.879,5,0.371,0.56,0.903,0.662163319854705,0.6033856486875471,0.6993180727845932,0.7060174079912275,0.6677211123295183
EOS-3-46326,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccn1,WLZAZFHAJWHGOA-UHFFFAOYSA-N,3,1,0.456,55,45,421.371,2.234,5,0.398,0.54,0.999,0.5328712905215544,0.41095538345555477,0.3963402097183195,0.37304674114179975,0.42830340620930707
EOS-3-46327,Fc1cccc(-c2cc(F)c(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cn2)n1,MOGHKVNXKQDZEL-UHFFFAOYSA-N,3,1,0.342,30,93,463.451,5.256,6,0.332,0.75,0.999,0.34648927421012954,0.4731426906997464,0.8265112055376602,0.8515780275512302,0.6244302994996916
EOS-3-46328,Fc1ccc(-c2nnc3cncc(CCc4ccc(-c5ncc(F)nn5)nc4)n23)nc1,NOSVZEDQZRCATF-UHFFFAOYSA-N,3,1,0.351,85,580,417.383,2.497,5,0.429,0.5,0.572,0.3646768555959153,0.3917997395654856,0.20620588033719417,0.2816547871975876,0.31108431567404565
EOS-3-46329,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(Cl)c4)n23)c(Cl)cn1,LAQKXDVNEYCDBV-UHFFFAOYSA-N,3,1,0.483,59,89,468.279,4.668,5,0.346,0.67,1.0,0.9528476458090603,0.9122575560276883,0.905583921595504,0.9215783702282229,0.923066873415119
EOS-3-46330,Cc1ncccc1-c1cncc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nc4)n23)c1,HRRCAGLJSWGSMN-UHFFFAOYSA-N,3,1,0.495,80,277,473.5,3.988,6,0.354,0.64,1.0,0.44144506887807555,0.2898019326982386,0.4544496607497773,0.35664108011788087,0.3855844356109931
EOS-3-46331,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccn4)n23)s1,WHAHJUPPLMTSIF-UHFFFAOYSA-N,3,1,0.305,76,114,438.48,3.167,6,0.412,0.49,0.93,0.025349530532520047,0.032006031115070936,0.03613528887670482,0.050699061065040095,0.03604747789733397
EOS-3-46332,CCn1cnc(CCOc2cncc3nnc(-c4cc(-c5cnc(C)s5)ncn4)n23)c1,CGLRRFUHMZMUDF-UHFFFAOYSA-N,3,1,0.363,31,194,433.501,2.851,5,0.385,0.53,0.798,0.19594270440682612,0.07520046604071003,0.0334795421835378,0.017605030498252346,0.08055693578233158
EOS-3-46333,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5Cl)cn4)n23)cc1,WUVJLCCRXYMOJT-UHFFFAOYSA-N,3,1,0.623,97,71,449.301,5.134,5,0.37,0.68,1.0,0.8094801590021246,0.9435782331574258,0.8848605304639846,0.9183400726475225,0.8890647488177643
EOS-3-46334,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cc4F)n23)cc1Cl,JHBNIPDRXRHCGF-UHFFFAOYSA-N,3,1,0.385,66,685,490.848,4.481,5,0.417,0.87,1.0,0.390137756151052,0.5004626139401,0.9209444177917895,0.9139452402165719,0.6813725070248784
EOS-3-46335,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nc2F)nn1,FUNBZSQAVQOCFS-UHFFFAOYSA-N,3,1,0.385,46,564,467.827,3.252,5,0.359,0.54,1.0,0.767716400520869,0.6902285655541087,0.47500171338496333,0.5151034884517853,0.6120125419779316
EOS-3-46336,FC(F)c1ccc(-c2nnc3cncc(OCc4cncnc4-c4cccc(Cl)n4)n23)cc1,BEPFIFFNPOFNNI-UHFFFAOYSA-N,3,1,0.494,1,805,465.851,4.813,5,0.332,0.71,0.998,0.9712151326159961,0.919899252964156,0.8812624220409842,0.8729696388184497,0.9113366116098965
EOS-3-46337,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5F)n34)cc2F)ccn1,MAVLDIGMVLNMEJ-UHFFFAOYSA-N,3,1,0.321,25,219,481.47,4.297,6,0.37,0.68,1.0,0.24259817695839903,0.35365122335686383,0.6913936673291755,0.7144986635597286,0.5005354328010417
EOS-3-46338,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)ccc1-c1cnc(C)nc1,HKNLRNVKPWMWSJ-UHFFFAOYSA-N,3,1,0.506,13,573,461.888,5.099,5,0.359,0.72,0.997,0.6588136522513879,0.6658213967514222,0.6529196079775204,0.6373363717360017,0.653722757179083
EOS-3-46339,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(F)cc1-c1ncccn1,QLWYICRUOOXKGB-UHFFFAOYSA-N,3,1,0.494,37,325,465.851,4.196,5,0.347,0.61,1.0,0.9085994791309712,0.9272239736824069,0.722457336714413,0.7590381056815846,0.8293297238023439
EOS-3-46340,Fc1ccc(-c2nnc3cncc(OCc4noc(-c5cncs5)n4)n23)c(F)c1,GLSZPKODGRNYRC-UHFFFAOYSA-N,3,1,0.524,73,446,413.369,3.155,5,0.433,0.66,1.0,0.5898242067027619,0.7002175998903434,0.30698718388047425,0.3856572544719348,0.49567156123637857
EOS-3-46341,Fc1cnc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c(-c2ncccc2F)c1,BOUKDGMGHWYYGO-UHFFFAOYSA-N,3,1,0.371,73,379,470.802,3.688,5,0.358,0.59,1.0,0.7320694263587143,0.7933829072716058,0.5994534301966966,0.697801727092043,0.705676872729765
EOS-3-46342,Cc1ccc(-c2nnc3cncc(Cc4cc(F)ccc4-c4ccc(C)nn4)n23)nc1,KXKYLGKXADVIMZ-UHFFFAOYSA-N,3,1,0.365,14,81,411.444,3.99,5,0.445,0.68,0.934,0.30672160921115754,0.3294410938249606,0.5271228839695703,0.5115396477280515,0.41870630868343495
EOS-3-46343,Cc1nnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)s1,HFIBTVPZQWYZHS-UHFFFAOYSA-N,3,1,0.404,58,954,468.905,3.822,5,0.346,0.61,1.0,0.5457131108217395,0.5413268453156055,0.1889006922075252,0.25789013775615105,0.3834576965252553
EOS-3-46344,Fc1ccc(-c2cc[nH]n2)cc1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,DHQBDNRQWKODTC-UHFFFAOYSA-N,3,1,0.453,28,942,464.464,4.357,6,0.39,0.58,1.0,0.8251918991158934,0.6658299636762388,0.712014255362895,0.6777208553217737,0.7201892433692002
EOS-3-46345,Clc1nccc(-c2cnnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)c1Cl,IDUWKSGBRAAINV-UHFFFAOYSA-N,3,1,0.495,54,207,465.304,3.967,5,0.347,0.58,0.845,0.6207765060653828,0.6033942156123638,0.5134158042629018,0.6199883489822493,0.5893937187307244
EOS-3-46346,Cn1nc(-c2cc(F)ccc2Cl)cc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,HLHLHURMWUVYDX-UHFFFAOYSA-N,3,1,0.514,34,417,455.28,5.43,5,0.362,0.8,1.0,0.7439089164553492,0.8967942567336029,0.9055924885203207,0.9394661092454253,0.8714404427386746
EOS-3-46347,Clc1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)c5)ns4)n23)cc1,AJJLAWLVYCYJPV-UHFFFAOYSA-N,3,1,0.478,45,837,425.304,5.284,5,0.393,0.76,1.0,0.22066684942772943,0.5138612843533685,0.6291378246864505,0.8480141868274964,0.5529200363237612
EOS-3-46348,COCc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,QTLHSEGVDCDRED-UHFFFAOYSA-N,3,1,0.418,18,840,474.912,3.46,5,0.312,0.66,1.0,0.4437752724282092,0.37296963881844974,0.370099719004866,0.3342300047974779,0.3802686587622507
EOS-3-46349,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)s4)n23)ccc1-c1cccnc1,PRODKGZUMVZSLH-UHFFFAOYSA-N,3,1,0.541,97,83,451.458,4.781,5,0.37,0.63,1.0,0.834923925707628,0.8211997121513261,0.8665872798300323,0.7903930505105887,0.8282759920498937
EOS-3-46350,CCc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cncc(C)n1,QOPACAUQVWPFHX-UHFFFAOYSA-N,3,1,0.433,18,690,456.485,3.67,5,0.365,0.54,0.995,0.6095452676307312,0.5846155164142279,0.25575697347680076,0.2142330888904119,0.416037711603043
EOS-3-46351,Cc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(-c2ccnnc2)n1,JECVSKYPWOWSBB-UHFFFAOYSA-N,3,1,0.57,75,393,410.441,2.968,5,0.421,0.7,1.0,0.5927369611404291,0.3632461791515318,0.3476458090603797,0.27580357754780344,0.394858131725036
EOS-3-46352,COc1ncccc1-c1nc(C)n(C)c1-c1cncc2nnc(-c3cnc(C)cn3)n12,NBWNPNZKHZOODO-UHFFFAOYSA-N,3,1,0.259,50,974,413.445,2.669,5,0.442,0.65,0.965,0.17900589404427386,0.08554931121924474,0.030866630114454115,0.013664245082585156,0.07727152011513948
EOS-3-46353,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)cs1,LUEACZVZCPTVSU-UHFFFAOYSA-N,3,1,0.49,65,778,433.472,3.796,5,0.386,0.55,1.0,0.5808118017956274,0.5184360222054691,0.39634877664313617,0.3761394010006168,0.46793400041121236
EOS-3-46354,Fc1nccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cc2Cl)n1,BNTIXKWXQTVTLD-UHFFFAOYSA-N,3,1,0.565,4,71,468.279,4.668,5,0.346,0.68,1.0,0.7930402302789391,0.8837725310122678,0.8483054622712631,0.8812367212665342,0.851588736207251
EOS-3-46355,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cc5Cl)n34)ccn2)nc1,RSEJYGVCQKZQDY-UHFFFAOYSA-N,3,1,0.53,59,912,467.291,5.273,5,0.35,0.77,1.0,0.9213984648070729,0.8968028236584196,0.9246453293125899,0.9467479953395929,0.9223986532794188
EOS-3-46356,Clc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)cnn2)n[nH]1,OUKUQQLUPJSHII-UHFFFAOYSA-N,3,1,0.463,58,778,454.281,3.295,5,0.388,0.53,0.983,0.7135820026043451,0.7375608251661984,0.38533171132890137,0.5049602494688507,0.5853586971420739
EOS-3-46357,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cncs5)nc(Cl)n4)n23)cn1,YUCTZNVDVBKDGE-UHFFFAOYSA-N,3,1,0.438,46,959,440.851,3.471,5,0.302,0.67,1.0,0.6408659447604688,0.5460557878144061,0.40003255431430335,0.42983688575149065,0.5041977931601672
EOS-3-46358,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)ncc4Cl)n23)cn1,NVLSGPCFQDNRSW-UHFFFAOYSA-N,3,1,0.484,68,127,489.845,3.725,5,0.44,0.8,1.0,0.7585669248166678,0.7143615927626619,0.7354961962853814,0.6777294222465904,0.7215385340278254
EOS-3-46359,CCc1nn(C)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3F)n12,LETMXLHRNBSCPA-UHFFFAOYSA-N,3,1,0.309,63,66,406.425,2.181,5,0.51,0.76,0.987,0.08366458775957782,0.16045850181618806,0.014255362894935234,0.022385374545952984,0.07019095675416352
EOS-3-46360,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)cc4F)n23)nc1,POHJZOOLNZHLIS-UHFFFAOYSA-N,3,1,0.294,39,972,484.886,3.898,6,0.37,0.71,1.0,0.22632958673154685,0.36325474607634844,0.3701082859296827,0.4980039065177164,0.3644241313138236
EOS-3-46361,CCn1nc(-c2cncs2)nc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,IMDFWZDVQBCZRY-UHFFFAOYSA-N,3,1,0.303,86,723,470.497,3.789,6,0.35,0.61,0.999,0.11880611335754918,0.28453327393598793,0.07376122267150984,0.1254540470152834,0.1506386642450826
EOS-3-46362,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncccc1F,HTXXEDJOIJKWBS-UHFFFAOYSA-N,3,1,0.412,49,501,478.875,3.461,5,0.347,0.63,0.958,0.7378178329106984,0.622318552532383,0.26660270029470223,0.2847731478308546,0.4778780583921595
EOS-3-46363,COc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(OC)c5)n34)n(C)n2)o1,RZPSAYZFOSCKQH-UHFFFAOYSA-N,3,1,0.447,36,67,468.861,2.824,5,0.351,0.59,0.994,0.45567473099856076,0.6131262422040984,0.14454115550681929,0.09453601535192928,0.3269695360153519
EOS-3-46364,Cc1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cccc(C)c5C)n4)n23)cc1,QVYWZWVLNZPMSL-UHFFFAOYSA-N,3,1,0.396,62,319,423.495,5.508,5,0.383,0.77,1.0,0.44856418340072646,0.45109999314646015,0.7848502501542046,0.730373175245014,0.6037219004866012
EOS-3-46365,COc1ncc(-c2nnc3cncc(OCc4cc(F)nc(F)c4)n23)cc1-c1ccc(F)cn1,XAIPBRWVBZDKQI-UHFFFAOYSA-N,3,1,0.456,59,565,465.395,3.648,5,0.351,0.59,1.0,0.8421115756288123,0.7765746007813036,0.7826314166266877,0.6892433692001919,0.7726402405592488
EOS-3-46366,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4[N+](=O)[O-])n23)cc1,BEKZXAAFZRYZNN-UHFFFAOYSA-N,3,1,0.344,25,791,476.46,3.619,6,0.269,0.81,1.0,0.11603899664176547,0.011428277705434857,0.17919436639024056,0.12320951271331643,0.10746778836268932
EOS-3-46367,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cccnn6)c(F)c5)n34)n2)cn1,XSZRXGWGSHJSMR-UHFFFAOYSA-N,3,1,0.505,81,218,479.479,3.762,6,0.355,0.65,1.0,0.4798163251319306,0.4644472620108286,0.5507932972380234,0.4858131725035981,0.49521751422109517
EOS-3-46368,Cc1ncnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)cc2F)n1,IBUMBPGLAZSLPI-UHFFFAOYSA-N,3,1,0.472,13,145,453.359,4.3,5,0.296,0.68,1.0,0.9456342951134261,0.9235573298608731,0.9189568912343226,0.8949695017476527,0.9207795044890685
EOS-3-46370,Clc1cc(-c2nncs2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)cc3)n12,YPKAWJLTRHQHLY-UHFFFAOYSA-N,3,1,0.317,9,340,456.922,5.02,6,0.4,0.62,1.0,0.18770988965800836,0.3341443355493112,0.6382787334658351,0.7032588582002605,0.4658479542183538
EOS-3-46371,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nn(C)cc5C)ncn4)n23)cc1,URAXCKMOQMNFTO-UHFFFAOYSA-N,3,1,0.518,89,463,412.457,3.178,5,0.437,0.64,1.0,0.32707662257556025,0.2845418408608046,0.20621444726201082,0.13836440271400177,0.23904932835309436
EOS-3-46372,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)cn2)ccn1,TWKYGHFRBBMYES-UHFFFAOYSA-N,3,1,0.287,38,150,435.516,5.076,6,0.386,0.64,1.0,0.013964087451168528,0.06021691453635803,0.5994619971215133,0.5740953327393599,0.3119345829620999
EOS-3-46373,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(C)(C)C)c(F)c4)n23)cc1,SVJCFPGDXBTFCM-UHFFFAOYSA-N,3,1,0.385,61,269,441.514,5.173,5,0.385,0.74,1.0,0.31210163799602497,0.28981049962305533,0.6857908984990748,0.5247926804194366,0.4531239291343979
EOS-3-46374,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5nnn(C(F)F)n5)s4)n23)cn1,KGZTUTBSBWEMFI-UHFFFAOYSA-N,3,1,0.307,99,286,478.452,2.759,6,0.367,0.61,0.972,0.11604756356658213,0.22335686382016312,0.0347560139812213,0.03667500514015489,0.10270886162703036
EOS-3-46375,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cn2)no1,RADBIJWKBRYUNJ-UHFFFAOYSA-N,3,1,0.304,42,339,409.369,2.953,6,0.428,0.75,1.0,0.2586782948392845,0.1377218833527517,0.21321362483722842,0.2252501542046467,0.20871598930847782
EOS-3-46376,Cn1cc(-c2cc3c(-c4cncc5nnc(-c6nccnc6-c6ccccn6)n45)nccn3n2)cn1,NWKKHYVMZHGGCU-UHFFFAOYSA-N,3,1,0.267,86,114,472.476,2.754,7,0.379,0.55,0.991,0.01079432526900144,0.008858200260434514,0.07578301692824344,0.10269172777739703,0.049531817558769106
EOS-3-46377,Cc1nc(-c2ccc(F)cn2)c(-c2nnc3cncc(-c4ccc(-c5nncn5C)cn4)n23)s1,LZGWAJNLOIGKDA-UHFFFAOYSA-N,3,1,0.289,76,968,470.497,3.615,6,0.384,0.55,0.997,0.12980604482215063,0.295053457610856,0.085103831128778,0.12546261394010005,0.15885648687547116
EOS-3-46378,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cn4)n23)nc1,CYCDSCCWMGGYEQ-UHFFFAOYSA-N,3,1,0.323,32,737,459.488,5.425,6,0.327,0.82,1.0,0.27444143650195324,0.3777671167157837,0.8036118155027071,0.7993968884929066,0.5638043143033377
EOS-3-46379,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cnn2)c1,JDCSJBDEQSFICJ-UHFFFAOYSA-N,3,1,0.478,73,469,452.812,3.549,5,0.399,0.48,1.0,0.6265677472414503,0.7234939346172298,0.7826399835515043,0.8146545815913919,0.736839061750394
EOS-3-46380,Fc1cc(-c2nnc3cncc(OCc4cc(-c5csnn5)ncc4Cl)n23)ccc1Cl,WRTBTCBXTNRQGJ-UHFFFAOYSA-N,3,1,0.568,59,391,474.308,4.73,5,0.364,0.72,1.0,0.7617795216229183,0.8703310259749161,0.8265197724624769,0.886865190871085,0.836373877732849
EOS-3-46381,Cc1cnc(CCOc2cncc3nnc(-c4cc(C)nc(-c5cc(C)ns5)c4)n23)cn1,PCPBVHHQNUVFBX-UHFFFAOYSA-N,3,1,0.472,20,661,444.524,3.647,5,0.391,0.56,1.0,0.38780755260091837,0.30493112192447397,0.07806181892947707,0.046741141799739566,0.20438540881365222
EOS-3-46382,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,QOUIFGQSVYWXLC-UHFFFAOYSA-N,3,1,0.5,58,28,465.851,4.196,5,0.347,0.6,1.0,0.9337519703927079,0.9272325406072236,0.7431978616955658,0.7740045233363032,0.8445467240079502
EOS-3-46383,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1,KYGXPUOCYKJQAQ-UHFFFAOYSA-N,3,1,0.573,15,475,416.42,2.742,5,0.393,0.6,1.0,0.7105578781440615,0.618009389349599,0.43997155780960867,0.3950723048454527,0.5409027825371805
EOS-3-46384,Cn1c(-c2ccc(-c3cncc4nnc(-c5cc(F)ccc5-c5ccccc5)n34)nc2)cnc1C#N,BFFSZAVEGZDHMR-UHFFFAOYSA-N,3,1,0.337,30,737,472.487,4.932,6,0.361,0.72,0.998,0.2800870399561373,0.42012199300938935,0.7479182372695498,0.7692927146871359,0.5543549962305531
EOS-3-46385,COCc1cc(-c2cnn(C)c2)cc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)c1,LWLHFMNGEGHNLC-UHFFFAOYSA-N,3,1,0.252,64,967,475.516,3.857,6,0.357,0.62,1.0,0.07131964909875951,0.021957028305119593,0.44359536700705915,0.37942910013021725,0.22907528613528888
EOS-3-46386,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cccc(-c4ccccn4)c3)n12,WTJPVIGOLYWTEP-UHFFFAOYSA-N,3,1,0.482,57,480,417.831,5.438,5,0.389,0.82,1.0,0.7985830306353231,0.8251062298677266,0.9228805428003564,0.9369131656500582,0.870870742238366
EOS-3-46387,Cc1cnc(-c2cnccn2)cc1-c1nnc2cncc(OCCc3cccnc3)n12,BHOVKKZZNUBDCT-UHFFFAOYSA-N,3,1,0.519,65,324,410.441,2.968,5,0.421,0.71,1.0,0.5172195188815023,0.2792731820985539,0.24881776437529984,0.19905249811527653,0.31109074086765814
EOS-3-46388,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)nn1C,MNNGBCFNLGHUJC-UHFFFAOYSA-N,3,1,0.495,87,142,446.902,3.565,5,0.368,0.56,1.0,0.462348365430745,0.47315125762456306,0.392536495099719,0.3534199163868138,0.4203640086354602
EOS-3-46389,Cc1nc(-c2cc(F)cc(Cl)c2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)n1,BAUQGGGFWHNNGY-UHFFFAOYSA-N,3,1,0.484,44,531,479.878,4.505,5,0.354,0.69,1.0,0.7874117606743883,0.7508052909327668,0.754900280995134,0.7880114454115551,0.7702821945034611
EOS-3-46390,Fc1cccc(-c2cc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)ns2)c1,HWNUZHBELSOAFH-UHFFFAOYSA-N,3,1,0.397,45,533,425.851,5.513,5,0.382,0.85,1.0,0.2770886162703036,0.5508703995613734,0.9290230278939072,0.9670002056061956,0.680995562332945
EOS-3-46391,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5sncc5C)n34)c(Cl)n2)cs1,LCQOGIZGZNBOKY-UHFFFAOYSA-N,3,1,0.512,58,283,455.956,4.616,5,0.357,0.66,0.979,0.4322184908505243,0.5604053868823248,0.12386059899938318,0.14305907751353575,0.31488588856144195
EOS-3-46392,CCn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)cc1=O,QASUNHYEVZZFNT-UHFFFAOYSA-N,3,1,0.436,58,241,475.9,2.495,5,0.349,0.65,1.0,0.37404907134534987,0.3100455760400247,0.10455931738743061,0.1232180796381331,0.2279680111027346
EOS-3-46393,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cnco6)n5)n34)cc2)cc1,FMQLDEFLJUQMRT-UHFFFAOYSA-N,3,1,0.379,93,651,416.444,5.175,6,0.394,0.8,1.0,0.20988965800836132,0.14143136179836885,0.67513364402714,0.7060259749160441,0.43312015968747863
EOS-3-46394,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)n4)n23)c(F)c(C)n1,LHFLRXADYIQJCQ-UHFFFAOYSA-N,3,1,0.421,46,223,461.888,4.632,5,0.352,0.67,1.0,0.7585754917414845,0.6753049825234734,0.6025974916044137,0.5741038996641765,0.652645466383387
EOS-3-46395,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)ccc1-c1cccnc1F,CWZSCKAQFJFQBY-UHFFFAOYSA-N,3,1,0.362,42,983,464.439,4.651,6,0.351,0.63,1.0,0.3854859159756014,0.4910389966417655,0.7848588170790213,0.7880200123363718,0.61235093550819
EOS-3-46396,FC(F)n1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)nc1,MSRHVKQHBRQHEZ-UHFFFAOYSA-N,3,1,0.438,46,128,454.828,4.072,5,0.381,0.55,0.997,0.45104859159756017,0.5740353642656432,0.7302104036734973,0.7006116784319101,0.6139765094921527
EOS-3-46397,Cc1nc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(Cl)n5)c4)n23)ccc1F,VSNLLDOLJQURAA-UHFFFAOYSA-N,3,1,0.5,34,92,464.863,5.067,5,0.338,0.75,1.0,0.7408505242957988,0.8173531629086424,0.8799345486944007,0.8729782057432663,0.827779110410527
EOS-3-46398,N#Cc1cc(Oc2ccc(-c3nnc4cncc(C5CCC5)n34)c(F)c2)ccc1Cl,FENPJZISHNDHNY-UHFFFAOYSA-N,3,1,0.383,0,9,419.847,5.515,5,0.435,0.81,0.999,0.5837845247070111,0.7892022479610719,0.8210540744294428,0.927686587622507,0.7804318586800082
EOS-3-46399,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)nc2)s1,ZUHPDNJJAOBKRA-UHFFFAOYSA-N,3,1,0.443,18,265,467.917,4.427,5,0.365,0.64,1.0,0.6983671441299432,0.7051607155095607,0.5508018641628402,0.5513415804262902,0.6264178260571587
EOS-3-46400,Fc1cc(-c2nc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc2F)ccn1,AUOINEPZMUFGHA-UHFFFAOYSA-N,3,1,0.488,96,121,452.371,4.795,5,0.282,0.8,1.0,0.631990610650401,0.912266122952505,0.9670173394558289,0.9620570899869783,0.8683327907614282
EOS-3-46401,Cc1ccc(Oc2cncc3nnc(-c4cc(-c5cnc(C)c(C)c5)ccn4)n23)nn1,SXZKQPGBNGNUSM-UHFFFAOYSA-N,3,1,0.333,92,544,410.441,3.756,5,0.441,0.73,1.0,0.329792337742444,0.12013398670413268,0.2741158933589199,0.16632684531560551,0.22259226578027552
EOS-3-46402,Fc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cncs6)nc5)n34)ccn2)ccn1,ZRWNESWRUBRIKE-UHFFFAOYSA-N,3,1,0.333,42,723,452.478,4.573,6,0.362,0.58,1.0,0.19876122267150984,0.36831779864299913,0.6235264889315332,0.622626961825783,0.45330811801795623
EOS-3-46403,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn(C)c2=O)nc(C)n1,UFAYNVFSGINSLT-UHFFFAOYSA-N,3,1,0.474,65,669,472.484,2.719,5,0.347,0.64,1.0,0.36944863271879924,0.17701836748680694,0.2488263313001165,0.18540538688232472,0.24517467959701184
EOS-3-46404,Fc1ccc(-c2cnccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,XJNAYQOTISNDHH-UHFFFAOYSA-N,3,1,0.435,45,533,419.822,5.452,5,0.39,0.79,1.0,0.49972585840586664,0.805830649030224,0.9784370502364471,0.9895397847988486,0.8183833356178466
EOS-3-46405,Cn1nc2c(n1)CN(C(=O)c1ccc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)nn1)CC2,RDENWLFLCHFOMA-UHFFFAOYSA-N,3,1,0.323,53,974,473.888,1.624,6,0.358,0.56,0.321,0.048343156740456444,0.15287677335343705,0.0007281886094167637,0.0028870536632170517,0.05120879309163183
EOS-3-46406,Fc1ccncc1CCOc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,HNEXXHYYAWSHNX-UHFFFAOYSA-N,3,1,0.56,75,420,414.404,2.799,5,0.418,0.6,1.0,0.8647282571448153,0.7051692824343774,0.36631313823589884,0.35342848331163046,0.5724097902816805
EOS-3-46408,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)cn2)cn1,JGVPZQSHMOPOTD-UHFFFAOYSA-N,3,1,0.524,92,399,409.413,2.432,5,0.434,0.71,1.0,0.5226338153656364,0.4959221437872661,0.4506887807552601,0.3730553080666164,0.4605750119936947
EOS-3-46409,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccncc5F)ncn4)n23)nn1,USAXJZLCAJWPDO-UHFFFAOYSA-N,3,1,0.426,53,587,415.392,2.46,5,0.427,0.57,0.957,0.4822150640805976,0.45992392570762797,0.2594236172983346,0.24016517031046536,0.3604319443492564
EOS-3-46410,N#Cc1cc(Cl)nc(-c2cc(-c3nnc4cncc(OCc5nccs5)n34)ccc2F)c1,RIMGFEBFDNIEOD-UHFFFAOYSA-N,3,1,0.588,4,71,463.885,4.553,5,0.352,0.68,1.0,0.7703036118155027,0.8837810979370845,0.7998338016585567,0.8225532862723597,0.8191179494208758
EOS-3-46411,Cc1nc(-c2ccc(F)cn2)c(-c2nnc3cncc(-c4ccc(C(F)(F)F)nc4)n23)cc1F,YCFVDLHETAPZAU-UHFFFAOYSA-N,3,1,0.398,96,315,469.377,4.916,5,0.349,0.7,0.985,0.42560482489205675,0.6902371324789254,0.9672914810499623,0.937744157357275,0.7552193989445549
EOS-3-46412,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cncc(-c4cscn4)c3)n12,JIUFELPPKYXIAL-UHFFFAOYSA-N,3,1,0.433,2,422,439.863,4.076,5,0.381,0.59,1.0,0.6921989582619423,0.67531354944829,0.7145243643341787,0.7249674456856967,0.7017510794325269
EOS-3-46413,COc1nc(-c2nnc3cncc(OCCc4cncs4)n23)ccc1-c1ncc(Cl)cn1,MCHKJQDANNZBHX-UHFFFAOYSA-N,3,1,0.44,18,896,466.914,3.383,5,0.356,0.58,0.999,0.6680830649030224,0.5692892879172092,0.0922143787266123,0.09068089918442876,0.3550669076828182
EOS-3-46414,COc1cnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccsc5)n34)nc2)nc1,XOBOMBAYUVLXKP-UHFFFAOYSA-N,3,1,0.317,86,723,464.514,4.442,6,0.369,0.6,0.999,0.2910869714207388,0.127398738948667,0.3034918785552738,0.26975532862723595,0.24793322938797888
EOS-3-46415,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cc(C)nc6ccccc56)n34)c2)cn1,SDTFQLQXMNQTHU-UHFFFAOYSA-N,3,1,0.404,6,873,475.516,3.825,6,0.354,0.62,0.995,0.5122164347885683,0.3204372558426427,0.24168151600301555,0.21117469673086148,0.32137747584127196
EOS-3-46416,CCn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)cn2)nn1,JQDOWUJSUQFPMF-UHFFFAOYSA-N,3,1,0.385,80,816,480.496,2.234,6,0.334,0.64,1.0,0.21514974984579535,0.1528853402782537,0.032117401137687615,0.019241313138235898,0.10484845109999315
EOS-3-46417,Cc1nccc(CCOc2cncc3nnc(-c4cccc(-c5nccn5C)c4)n23)n1,CXSHRASHOYBJKX-UHFFFAOYSA-N,3,1,0.512,15,921,412.457,2.912,5,0.423,0.66,1.0,0.4997344253306833,0.289819066547872,0.15062367212665342,0.10270029470221369,0.2607193646768556
EOS-3-46418,CCc1nc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1nccn1C,SUCZEARONRMEFX-UHFFFAOYSA-N,3,1,0.394,46,717,464.892,3.916,5,0.351,0.59,0.571,0.5509389349599068,0.5004711808649167,0.3663217051607155,0.35994791309711466,0.4444199335206634
EOS-3-46419,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3cc(Cl)ncc3F)n12,FBVHBAJGGCBODP-UHFFFAOYSA-N,3,1,0.426,55,456,466.864,3.362,5,0.351,0.58,0.988,0.6621718867795217,0.5508789664861902,0.5098176958399013,0.4234630936878898,0.5365829106983757
EOS-3-46420,OCn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)ncn1,NHNYZUBWFVXNGQ-UHFFFAOYSA-N,3,1,0.297,98,193,483.883,2.567,6,0.388,0.68,1.0,0.2720169967788363,0.3632633130011651,0.1566462202727709,0.2758121444726201,0.26693466863134807
EOS-3-46421,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cncc(-c5ccnc(F)c5)c4)n23)c1,KEPBHDDTRNJUMC-UHFFFAOYSA-N,3,1,0.56,84,752,464.863,4.801,5,0.336,0.68,1.0,0.8324823521348776,0.9061236378589541,0.9271811390583237,0.9351826468370914,0.9002424439723118
EOS-3-46422,OCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)cnc2Cl)cn1,MDTGWDSQESDTFA-UHFFFAOYSA-N,3,1,0.441,7,552,452.887,2.825,5,0.387,0.55,1.0,0.4822236310054143,0.5793554245767939,0.27010657254471937,0.28166335412240423,0.40333724556233297
EOS-3-46423,CCCCOCc1cc(-c2nnc3cncc(-c4ncnc(-c5ccccn5)n4)n23)ccc1F,QGNKJIYKDSJJRY-UHFFFAOYSA-N,3,1,0.291,29,849,456.485,4.161,5,0.321,0.66,0.891,0.2965441025289562,0.38257316153793436,0.2025820711397437,0.23142690699746418,0.2782815605510246
EOS-3-46424,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)n1,VMXLUMOVAZDHIL-UHFFFAOYSA-N,3,1,0.55,15,361,411.429,2.363,5,0.415,0.66,1.0,0.7167174970872455,0.477717428551847,0.13244465766568433,0.11637310670961552,0.36081317250359807
EOS-3-46425,Cc1ncc(-c2nnc3cncc(OCc4ccc(-c5ccncc5F)cn4)n23)cn1,MHSZSLPNYZTUQY-UHFFFAOYSA-N,3,1,0.549,2,969,414.404,3.065,5,0.432,0.6,1.0,0.6069066547871976,0.5986909738880132,0.49239257076279896,0.4266756904941402,0.5311664724830375
EOS-3-46426,Cc1cnc(-c2ccnc(-c3nnc4cncc(COc5cccc(C)n5)n34)c2)cn1,NGBBPDDROBLMRI-UHFFFAOYSA-N,3,1,0.31,85,720,410.441,3.234,5,0.435,0.68,1.0,0.24260674388321568,0.1340809403056679,0.21656329244054554,0.12948906860393394,0.18068501130834075
EOS-3-46427,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)s1,LJWYQZTZWAKLKK-UHFFFAOYSA-N,3,1,0.489,87,307,467.917,4.427,5,0.365,0.65,1.0,0.6651617435405387,0.6804365704886574,0.5572441916249743,0.5611935439654582,0.6160090124049071
EOS-3-46428,N#Cc1cc(-c2nnc3cncc(OCc4ccccn4)n23)cc(-c2cncs2)n1,UCKVRCDFWQKPOL-UHFFFAOYSA-N,3,1,0.62,4,43,412.438,3.155,5,0.432,0.68,0.993,0.41169213898978824,0.46874785826879584,0.36274073058734835,0.32152525529435955,0.391176495785073
EOS-3-46429,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)nc2)nc1,YRFMDKCULXZGIV-UHFFFAOYSA-N,3,1,0.329,38,787,481.882,4.56,6,0.36,0.74,1.0,0.36468542252073194,0.4290487286683572,0.6057158522376808,0.6571002672880543,0.514137567678706
EOS-3-46430,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)ccn2)cn1,UODXFMBZOXKSCW-UHFFFAOYSA-N,3,1,0.505,75,530,462.876,3.761,5,0.351,0.56,1.0,0.8324909190596943,0.8134723459666918,0.5406072236310054,0.515112055376602,0.6754206360084984
EOS-3-46431,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccccc5Cl)n34)c(Cl)c2)s1,OEMGOVSDPNMLBQ-UHFFFAOYSA-N,3,1,0.456,45,46,439.331,5.592,5,0.367,0.77,1.0,0.1987697895963265,0.42455966006442325,0.6884466451922417,0.8365944760468782,0.5370926427249674
EOS-3-46432,COc1ccc(-c2nnc3cncc(-c4cncc(-c5ncnn5C)n4)n23)cc1C#N,WYDYHOLPXUUWKA-UHFFFAOYSA-N,3,1,0.363,50,974,410.401,1.924,5,0.436,0.69,0.993,0.14030909464738536,0.0855578781440614,0.1956342951134261,0.16115242272633815,0.14566342265780274
EOS-3-46433,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)cc1-c1cncnn1,LRGFWLYNEAYEHS-UHFFFAOYSA-N,3,1,0.417,6,826,478.451,3.213,6,0.352,0.61,0.997,0.737826399835515,0.564680282365842,0.4138595709684052,0.42347166061270647,0.5349594784456171
EOS-3-46434,Cn1cc(-c2cc(Cl)c(-c3nnc4cncc(-c5cnnc(-c6nncn6C)c5)n34)cn2)cn1,IZEUFEKPTICFQA-UHFFFAOYSA-N,3,1,0.281,99,286,470.888,2.493,6,0.381,0.5,0.756,0.08599479130971147,0.16835720649715577,0.14740250839558633,0.19623397985059282,0.1494971215132616
EOS-3-46435,FCc1cc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ncn2)ccn1,UJFOMEKJOFOHAA-UHFFFAOYSA-N,3,1,0.419,46,395,420.433,3.148,5,0.413,0.58,0.848,0.41840004112123913,0.2845504077856213,0.2557655404016174,0.22525872112946338,0.2959936776094853
EOS-3-46436,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)cnc1F,JAYQKVSUYRCEJZ-UHFFFAOYSA-N,3,1,0.473,65,778,428.431,3.107,5,0.38,0.52,0.998,0.7499485984511,0.6083458981563977,0.45445822767459393,0.3981306970050031,0.5527208553217736
EOS-3-46437,c1ccc(-c2noc(-n3nnc(-c4cncc5nnc(-c6ccc(-c7ncon7)cc6)n45)n3)n2)cc1,RVBFRSZDPZLGDC-UHFFFAOYSA-N,3,1,0.38,8,553,476.42,2.534,7,0.357,0.6,1.0,0.08367315468439449,0.03803714618600507,0.019566856281269276,0.032494345829621,0.043442875745322455
EOS-3-46438,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)ccn2)nc1,ANGFRECQRAVJDA-UHFFFAOYSA-N,3,1,0.471,73,775,469.267,4.063,5,0.355,0.61,1.0,0.8514666575286135,0.8357120827907615,0.6939123432252758,0.7538808169419505,0.7837429751216504
EOS-3-46439,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(-c3cn(-c4cccnc4Cl)nn3)n12,VFEDPEHSJJTRNZ-UHFFFAOYSA-N,3,1,0.322,10,620,476.888,3.745,6,0.353,0.62,1.0,0.02326776780206977,0.1770269344116236,0.3663302720855322,0.4917500514015489,0.2645937564251936
EOS-3-46440,Clc1ccc(-c2nnc3cncc(OCc4cncs4)n23)c(-c2ccccc2)c1,RXXKQGZRWSTFLV-UHFFFAOYSA-N,3,1,0.538,1,709,419.897,5.147,5,0.394,0.79,1.0,0.8067301761359742,0.8703395928997327,0.730218970598314,0.8037317524501405,0.8027551230210404
EOS-3-46441,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(Cl)nn6)cn5)n34)nc2)c1,ZVNQWSAKZZXIQV-UHFFFAOYSA-N,3,1,0.3,70,392,482.87,3.955,6,0.367,0.66,1.0,0.2965526694537729,0.39180830649030224,0.46839661435131247,0.5612021108902748,0.4294899252964156
EOS-3-46442,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)c2)o1,VPOUFONQXPAEJM-UHFFFAOYSA-N,3,1,0.575,88,655,451.408,4.794,5,0.346,0.68,1.0,0.920053457610856,0.8427283942156124,0.9263415804262902,0.889520937564252,0.8946610924542526
EOS-3-46443,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(Cc3ccc(Cl)c(Cl)c3)n12,MRDIMYKZMBXJQH-UHFFFAOYSA-N,3,1,0.416,23,225,441.215,5.847,4,0.375,0.81,1.0,0.668091631827839,0.8812195874169009,0.9996573230073333,0.9998629292029333,0.8872078678637516
EOS-3-46444,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncc4Cl)n23)c(F)c1F,OFHUSEOBNTXHNX-UHFFFAOYSA-N,3,1,0.489,73,577,469.814,4.293,5,0.354,0.62,1.0,0.8958775957782195,0.9394232746213419,0.9486241518744432,0.947493317798643,0.932854585018162
EOS-3-46445,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)n4)n23)cn1,KNZIAOPDTWXEBU-UHFFFAOYSA-N,3,1,0.406,7,823,413.445,2.747,5,0.418,0.62,1.0,0.3196405318346926,0.18962888081694196,0.11235521897059832,0.062041669522308274,0.1709165752861353
EOS-3-46446,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccc1F,WRTTXYQSFSYTMO-UHFFFAOYSA-N,3,1,0.517,34,607,466.879,5.185,5,0.344,0.74,1.0,0.8399184428757454,0.8357206497155781,0.9297854842025907,0.9276951545473237,0.8832799328353095
EOS-3-46447,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccccc5-c5ccncc5)n34)ncn2)cn1,QJYGMQAUFNEZEA-UHFFFAOYSA-N,3,1,0.384,28,414,476.475,4.423,6,0.325,0.73,0.977,0.6651703104653554,0.5508875334110068,0.701879583304777,0.680676444383524,0.6496534678911658
EOS-3-46448,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)s1,PVCVXZYBQQATGX-UHFFFAOYSA-N,3,1,0.479,87,838,468.905,3.822,5,0.37,0.59,1.0,0.6010811459118635,0.6462117058460695,0.270115139469536,0.3406380645603454,0.46451151394695356
EOS-3-46449,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3nccc(-c4nccnn4)n3)n12,LLYVCEAGSLDWLH-UHFFFAOYSA-N,3,1,0.398,51,185,452.36,2.484,5,0.354,0.5,1.0,0.6319991775752176,0.7636128435336852,0.35527893907203073,0.3124014803646083,0.5158231101363855
EOS-3-46450,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4F)n23)n1,NRIKSNAJRVOKKP-UHFFFAOYSA-N,3,1,0.55,4,677,409.406,3.324,5,0.435,0.81,1.0,0.5611935439654582,0.6267390857377836,0.2201956685628127,0.21118326365567816,0.40482789048043316
EOS-3-46451,Cc1ccc(-c2nnc3cncc(Cc4cccc(-c5ccnc(F)c5)c4)n23)c(F)c1,GRFLRYCZAVXNMY-UHFFFAOYSA-N,3,1,0.344,14,358,413.431,5.031,5,0.388,0.87,1.0,0.4369902679734083,0.5367606743883215,0.9362278116647248,0.9369217325748749,0.7117251216503324
EOS-3-46452,Clc1nccc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5nncs5)c4)n23)n1,BPWXBVRRTKGNFD-UHFFFAOYSA-N,3,1,0.495,37,563,471.333,4.028,5,0.342,0.68,1.0,0.8467034473305463,0.9254334863957234,0.34765437598519633,0.46440442738674526,0.6460489342745528
EOS-3-46453,Cc1c(F)cccc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,MNJADMWWNDYIBW-UHFFFAOYSA-N,3,1,0.516,35,352,460.9,4.971,5,0.333,0.73,1.0,0.9023199232403536,0.9036820642862038,0.8679579878006991,0.8649252964155987,0.8847213179357137
EOS-3-46454,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5cc(C)nn5C)c4)n23)n1,VGLBEGHFRPEJAA-UHFFFAOYSA-N,3,1,0.512,4,464,418.486,3.239,5,0.432,0.61,1.0,0.1733260228908231,0.1528939072030704,0.06513432938112534,0.03569837571105476,0.1067631587965184
EOS-3-46455,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cn(C)nc5C)n34)c2)c[nH]1,FTQJWWICUMBMON-UHFFFAOYSA-N,3,1,0.461,65,349,415.461,2.548,5,0.453,0.61,1.0,0.25868686176410116,0.11679288602563224,0.09937632787334659,0.056121924473990815,0.13274450003426772
EOS-3-46456,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)cc2)nn1,SRALZYLVBUMHEN-UHFFFAOYSA-N,3,1,0.62,89,320,409.413,2.432,5,0.434,0.72,1.0,0.47982489205674733,0.35866287437461447,0.4436039339318758,0.3534370502364471,0.4088821876499211
EOS-3-46457,Clc1cc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnc2Cl)ccn1,PZUWKAVTQLMZHA-UHFFFAOYSA-N,3,1,0.563,87,278,464.316,4.572,5,0.34,0.65,1.0,0.8537197587553972,0.8944811870331026,0.6805136728120074,0.7410389966417654,0.7924384038105681
EOS-3-46458,COCc1ccc(-c2nnc3cncc(Cc4nnc(-c5cccnn5)c(F)c4Cl)n23)nc1,GRKHUWBCMAFRGM-UHFFFAOYSA-N,3,1,0.337,53,60,463.864,2.963,5,0.374,0.49,0.042,0.3440219998629292,0.32499485984511,0.24883489822493318,0.3310602426153108,0.3122280001370708
EOS-3-46459,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)c1,GRULNJVIUCHJDG-UHFFFAOYSA-N,3,1,0.602,84,524,452.902,4.724,5,0.371,0.61,1.0,0.787420327599205,0.9235658967856898,0.677686587622507,0.7170002056061956,0.7764182544033994
EOS-3-46460,N#Cc1cncc(-c2ccc(Cc3cncc4nnc(-c5cccc(F)c5)n34)cn2)n1,MLRPVOVQJYOPGY-UHFFFAOYSA-N,3,1,0.412,14,81,408.4,3.245,5,0.449,0.72,1.0,0.30941162360359126,0.43813823589884177,0.6382873003906517,0.6602100609965047,0.5115118052223974
EOS-3-46461,Cc1nnsc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)nn1,MUZOXGWYNRKFDV-UHFFFAOYSA-N,3,1,0.456,53,466,451.903,3.078,5,0.383,0.52,0.951,0.38549448290041805,0.4959307107120828,0.06950346103762593,0.13400383798231788,0.27123312315811116
EOS-3-46462,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5F)nn4)n23)c(F)c1,MTKCQTRQMSCXHC-UHFFFAOYSA-N,3,1,0.314,74,997,477.41,2.902,6,0.306,0.7,0.999,0.040932766774038794,0.24378897950791584,0.3364317044753615,0.4644129943115619,0.27139161126721956
EOS-3-46463,Cc1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)c(Br)n5)n34)c2)o1,WCPDJWWUCVEDAG-UHFFFAOYSA-N,3,1,0.446,46,237,483.261,3.42,5,0.347,0.72,0.999,0.467248646425879,0.5004797477897334,0.2628760879994517,0.2458793091631828,0.3691209478445617
EOS-3-46464,N#Cc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc(Cl)n1,OIDUBVYKCKRULV-UHFFFAOYSA-N,3,1,0.563,4,675,475.299,4.401,5,0.344,0.71,1.0,0.8556044822150641,0.9651411829209787,0.7018881502295936,0.7538893838667672,0.8191307998081009
EOS-3-46465,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1ccncc1,SEGSRTVGBYOQNA-UHFFFAOYSA-N,3,1,0.477,97,103,462.872,4.628,5,0.34,0.64,1.0,0.9214070317318895,0.8525803577547804,0.890497566993352,0.8443646768555959,0.8772124083339046
EOS-3-46466,COc1cnc(-c2cncc3nnc(-c4ccc(C(=O)N5CC6(C)CCC5C6)cn4)n23)cn1,WZSSTVHXFZFZKE-UHFFFAOYSA-N,3,1,0.303,63,759,442.483,2.667,6,0.474,0.52,0.433,0.10565588376396409,0.08556644506887807,0.003238297580700432,0.015771708587485438,0.052558083750257015
EOS-3-46467,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(Cl)n1,QBRGQUNVEMZAAD-UHFFFAOYSA-N,3,1,0.442,55,62,467.32,4.351,5,0.343,0.65,1.0,0.5641662668768419,0.509337948050168,0.5063994928380509,0.5580923171818244,0.5344990062367212
EOS-3-46468,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cnn2)ccc1F,WSMFWLRCMXXYSJ-UHFFFAOYSA-N,3,1,0.427,72,208,448.849,3.718,5,0.4,0.49,1.0,0.6041052703721472,0.7465903639229662,0.6205794667945994,0.6461003358234528,0.6543438592282914
EOS-3-46469,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4ccccn4)cnn3)n12,HQURNAMRTBKBSN-UHFFFAOYSA-N,3,1,0.452,54,873,414.404,2.799,5,0.418,0.59,0.986,0.6526883010074703,0.5231735316290864,0.385340278253718,0.4107155095606881,0.49297940511274074
EOS-3-46470,Cn1cnnc1-c1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)ncc1F,HDUQHRVMCUEXGO-UHFFFAOYSA-N,3,1,0.412,6,843,481.455,2.552,6,0.349,0.65,1.0,0.5751404975669934,0.5321174011376876,0.0737697895963265,0.08686861764101159,0.3169740764855048
EOS-3-46471,Fc1cc(Cl)cc(-c2nnc3cncc(Cc4cc(F)c(-c5ccccn5)o4)n23)c1,UZRGAOHSJHEMQC-UHFFFAOYSA-N,3,1,0.419,14,358,423.81,4.969,5,0.408,0.62,1.0,0.3809026111986841,0.49104756356658213,0.8941727777397026,0.9256733602905901,0.6729490781988897
EOS-3-46472,COc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)s2)n1,MYJUKXYMCJMPSD-UHFFFAOYSA-N,3,1,0.323,32,126,463.526,5.047,6,0.353,0.72,1.0,0.3602563223905147,0.27418442875745325,0.4214412994311562,0.39813926392981974,0.363505328627236
EOS-3-46473,Clc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)c1,DFRKHHGRZWSSPR-UHFFFAOYSA-N,3,1,0.506,35,76,464.316,4.572,5,0.34,0.64,1.0,0.8041686656157906,0.8134809128915085,0.7455194983208827,0.8058906175039408,0.7922649235830306
EOS-3-46474,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cnco6)c5)n34)cn2)cc1,JAMGXEAPRNBHQB-UHFFFAOYSA-N,3,1,0.5,12,363,446.47,5.087,6,0.352,0.69,1.0,0.5353899664176547,0.382581728462751,0.7120228222877116,0.677737989171407,0.5769331265848812
EOS-3-46475,Cc1ccc(COc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)c(C)n1,ANJGLTLCKCEXKY-UHFFFAOYSA-N,3,1,0.466,2,464,415.482,3.901,5,0.43,0.67,1.0,0.4184086080460558,0.2741929956822699,0.32179082996367625,0.22526728805428003,0.3099149304365705
EOS-3-46476,Cn1cc(Cl)nc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,FTJHCCJMVIGNCH-UHFFFAOYSA-N,3,1,0.564,13,15,455.28,5.43,5,0.362,0.74,1.0,0.7499571653759166,0.9102100609965047,0.8918768418888355,0.9215869371530395,0.8684077513535741
EOS-3-46477,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(-c3cc(-c4nnc(C)o4)cnn3)n12,AQRCFMVWZFNHPV-UHFFFAOYSA-N,3,1,0.284,76,887,464.449,3.072,6,0.371,0.52,0.962,0.20713967514221096,0.09797991912822973,0.0757915838530601,0.054648413405523955,0.10888989788225618
EOS-3-46478,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)c1,LVJVBGXSGGGHRA-UHFFFAOYSA-N,3,1,0.444,81,218,476.504,3.501,6,0.341,0.61,1.0,0.132607429237201,0.13773045027756836,0.1182920978685491,0.10694092248646427,0.12389272496744569
EOS-3-46479,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)nc(F)c4Cl)n23)ncn1,PXNXGIBWJXUPBL-UHFFFAOYSA-N,3,1,0.35,46,395,467.827,3.252,5,0.359,0.54,0.927,0.7529298882873003,0.6706617092728394,0.5438026865876225,0.5381742169830718,0.6263921252827085
EOS-3-46480,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nncnn5)cc4)n23)cc1,OUFKNGGGQGQIIY-UHFFFAOYSA-N,3,1,0.581,43,250,407.397,2.489,5,0.431,0.8,1.0,0.9417192104722089,0.817361729833459,0.5541772325406072,0.5317747241450209,0.711258224247824
EOS-3-46481,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)nc2)ccn1,QTMFNBIGEKOORY-UHFFFAOYSA-N,3,1,0.309,32,368,451.49,5.178,6,0.344,0.73,1.0,0.19051127407305873,0.3442618737577959,0.6291463916112672,0.6632084846823384,0.4567820060311151
EOS-3-46482,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc2F)n(C)c1C,RQXXGDGJCGAEKN-UHFFFAOYSA-N,3,1,0.518,16,772,463.904,4.575,5,0.379,0.62,1.0,0.7408590912206154,0.690245699403742,0.5541857994654239,0.5416952230827222,0.631746453293126
EOS-3-46483,Clc1nccc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5cnccn5)c4)n23)n1,PCUBKSDTXIRGJI-UHFFFAOYSA-N,3,1,0.506,87,846,465.304,3.967,5,0.347,0.58,1.0,0.9158899321499554,0.9491381673634433,0.527131450894387,0.6078404495922144,0.75
EOS-3-46484,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5nnc(Cl)cc5C)ncc4Cl)n23)nn1,BFDZTUPLKVVKFG-UHFFFAOYSA-N,3,1,0.379,53,105,481.307,3.331,5,0.368,0.62,0.975,0.569966074977726,0.5740439311904598,0.16943663902405592,0.24320642862038241,0.389163268453156
EOS-3-46485,Fc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3ncc(C(F)(F)F)cn3)n12,MOYLIVVDOBSEQL-UHFFFAOYSA-N,3,1,0.435,27,143,468.374,3.775,5,0.284,0.71,1.0,0.7846189431841546,0.8674097046124323,0.9115036666438215,0.8425998903433624,0.8515330511959427
EOS-3-46486,Cc1cc(-c2nnc3cncc(OCc4cccnn4)n23)cc(-c2cnc(C)nc2)n1,MJXSBULPWPFGEK-UHFFFAOYSA-N,3,1,0.471,92,567,411.429,2.629,5,0.43,0.65,1.0,0.32708518950037696,0.23315742581043108,0.16311424850935508,0.1006527996710301,0.2060024158727983
EOS-3-46487,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)o2)c1F,QZPKTICJLTXVNZ-UHFFFAOYSA-N,3,1,0.325,3,641,459.441,4.91,6,0.37,0.64,1.0,0.33464121718867795,0.46445582893564524,0.6751422109519567,0.7249760126105134,0.5498038174216984
EOS-3-46488,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ncn2)nc1,RXHSTVBQJVMCOW-UHFFFAOYSA-N,3,1,0.478,18,481,410.441,2.968,5,0.421,0.7,0.883,0.5279881433760537,0.2283685148379138,0.16944520594887258,0.13837296963881845,0.26604370845041464
EOS-3-46489,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)ncn2)s1,UYGCOZXMRXDZDP-UHFFFAOYSA-N,3,1,0.361,46,395,439.411,2.66,5,0.381,0.51,0.249,0.5867229799191283,0.4556661640737441,0.20977828798574463,0.22865122335686383,0.3702046638338702
EOS-3-46490,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)c(F)c1,KYDCFVVOKOQIAZ-UHFFFAOYSA-N,3,1,0.466,13,451,454.387,5.2,5,0.342,0.74,1.0,0.7439174833801658,0.8587656774724145,0.9738280446850799,0.9591443355493112,0.8839138852717429
EOS-3-46491,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccn2)n(C)n1,WYXOOAXOEUYQGC-UHFFFAOYSA-N,3,1,0.512,75,265,464.892,3.704,5,0.378,0.55,0.999,0.522642382290453,0.49593927763689943,0.49923754369131657,0.482669111095881,0.5001220786786376
EOS-3-46492,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(C)nn5)n34)nc2Cl)cn1,YYVDFTKRIBGJKJ-UHFFFAOYSA-N,3,1,0.3,53,587,433.863,3.614,5,0.386,0.57,1.0,0.36945719964361595,0.3777756836406004,0.1922760605852923,0.17174970872455622,0.2778146631485162
EOS-3-46493,Cc1cc(COc2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n(C)n1,GWTHOQDWXAFVRF-UHFFFAOYSA-N,3,1,0.333,82,336,448.437,3.807,5,0.39,0.52,0.998,0.3172246590363923,0.3683263655678158,0.5304554177232541,0.3761479679254335,0.3980386025632239
EOS-3-46494,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1nc(C)c(F)[nH]1,WTPUDDPKLAUZDM-UHFFFAOYSA-N,3,1,0.429,46,690,464.892,4.214,5,0.401,0.61,0.198,0.41841717497087244,0.5367692413131382,0.3181755876910424,0.33749400315262834,0.40271400178192035
EOS-3-46495,CCCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)n(C)n1,OAGJOWPKWHBGSF-UHFFFAOYSA-N,3,1,0.347,31,292,452.429,3.318,5,0.37,0.58,0.834,0.29656123637858955,0.26390411897745186,0.132453224590501,0.13177643752998425,0.20617375436913168
EOS-3-46496,Oc1cc(F)c(F)cc1-c1[nH]ncc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,KYERPMTWXNPDEI-UHFFFAOYSA-N,3,1,0.36,45,243,441.348,4.165,5,0.406,0.57,0.967,0.39216811733260226,0.5846240833390446,0.9614145706257282,0.94958364745391,0.7219476046878213
EOS-3-46497,Cn1cc(CCc2cncc3nnc(-c4cccc(-c5cnn(C)c(=O)c5)c4)n23)nn1,VCYFUXLZSKCHER-UHFFFAOYSA-N,3,1,0.371,36,460,413.445,1.466,5,0.429,0.67,1.0,0.048351723665273114,0.06789287917209239,0.04644986635597286,0.054656980330340624,0.05433786238091974
EOS-3-46498,Fc1cc(COc2cncc3nnc(-c4cc(-c5ncccn5)ncn4)n23)cnc1F,BOJUCPZJRUFVGH-UHFFFAOYSA-N,3,1,0.391,46,842,419.355,2.29,5,0.396,0.54,0.644,0.7259098074155301,0.4818381193886642,0.40004112123912,0.37306387499143306,0.49521323075868684
EOS-3-46499,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)nc1,MYCMMTSEGQJQCI-UHFFFAOYSA-N,3,1,0.554,90,636,406.833,2.825,4,0.524,0.78,1.0,0.9086080460557878,0.9303166335412241,0.7998423685833733,0.7926632855870057,0.8578575834418478
EOS-3-46500,c1cnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cs2)nc1,AJXNMTDDUNRABH-UHFFFAOYSA-N,3,1,0.517,28,120,470.543,4.407,6,0.353,0.7,1.0,0.4414536358028922,0.5050887533411007,0.12386916592419984,0.12087930916318278,0.2978227160578439
EOS-3-46501,Clc1cc(-c2conn2)ccc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,CZBKXPYBWZXLNA-UHFFFAOYSA-N,3,1,0.309,30,498,453.853,4.014,6,0.389,0.52,1.0,0.12981461174696732,0.21796826811047906,0.3779812898362004,0.5417037900075389,0.3168669899252964
EOS-3-46502,Fc1cc(-c2ncccn2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)n1,MANHMSMGZGDBSZ-UHFFFAOYSA-N,3,1,0.461,18,262,414.404,2.799,5,0.391,0.63,1.0,0.7529384552121171,0.5942533068329793,0.29623569323555615,0.2906586251799054,0.4835215201151395
EOS-3-46503,Cc1cnc(-c2nnc3cncc(OCc4ccc(-c5nc(C)n(C)n5)nc4)n23)cn1,FYEJEIQQPIXJEU-UHFFFAOYSA-N,3,1,0.471,7,828,414.433,1.968,5,0.425,0.61,0.846,0.23457096840518127,0.07860153519292715,0.022385374545952984,0.009903365088067988,0.08636531080803235
EOS-3-46504,Fc1ccc(-c2cc(Cc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cs2)cn1,IGUHBQJREIYHOL-UHFFFAOYSA-N,3,1,0.376,14,358,439.878,5.437,5,0.35,0.78,1.0,0.4208073469947228,0.6513775615105202,0.9463624837228428,0.9608919882119115,0.7448598451099994
EOS-3-46505,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccn5)n4)n23)s1,CMZPLSPBXHLEDS-UHFFFAOYSA-N,3,1,0.265,99,601,428.445,1.686,6,0.411,0.48,0.658,0.00018847234596669179,0.0020046604071002672,0.007658830786101021,0.007693098485367692,0.004386265506133918
EOS-3-46506,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccnnc6)c5)n34)cc2)cc1F,MLZLYQKUCCDXGK-UHFFFAOYSA-N,3,1,0.318,9,774,460.476,4.82,6,0.372,0.6,1.0,0.3531543417174971,0.4687564251936125,0.8354807758207115,0.8265283393872935,0.6209799705297787
EOS-3-46507,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(C)nn5)cn4)n23)cn1,DMQXUGINCXZYMB-UHFFFAOYSA-N,3,1,0.471,7,535,412.417,2.024,5,0.422,0.64,1.0,0.4117007059146049,0.3442704406826126,0.04645843328078953,0.030489685422520733,0.20822981632513193
EOS-3-46508,Fc1cc(-c2nnc3cncc(CCc4ccc(-c5ncccn5)cn4)n23)ncc1-c1ccncc1,VRXPJONBNSUTMI-UHFFFAOYSA-N,3,1,0.354,42,723,475.491,4.025,6,0.355,0.61,1.0,0.392176684257419,0.42456822698923996,0.39254506202453565,0.4171064354739223,0.4065991021862792
EOS-3-46509,Clc1cc(-c2nsc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)n2)ncn1,JSJXDFBAKDJIPN-UHFFFAOYSA-N,3,1,0.316,42,983,469.921,4.482,6,0.348,0.69,1.0,0.1458347611541361,0.315168597080392,0.28525289562058803,0.4266842574189569,0.29323512781851824
EOS-3-46510,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccsc4-c4ccccn4)n23)cc1,ZGMMZSPLHOVQKP-UHFFFAOYSA-N,3,1,0.323,38,787,435.516,4.982,6,0.39,0.65,1.0,0.09099787540264546,0.0979884860530464,0.5064080597628675,0.494919813583716,0.2975785587005689
EOS-3-46511,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n4-3)c2)cn1,LTQXAFXSZXKANC-UHFFFAOYSA-N,3,1,0.593,16,256,408.425,3.037,5,0.44,0.77,1.0,0.46235693235556163,0.32044582276745937,0.6473768076211364,0.5350644232746213,0.4913109965046947
EOS-3-46512,Fc1ccccc1-c1cnnc(-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)n1,PBLBGEMQPFWLBZ-UHFFFAOYSA-N,3,1,0.325,76,653,443.427,3.561,6,0.402,0.47,0.422,0.2206754163525461,0.3586714412994312,0.16625830991707216,0.2816719210472209,0.2568192721540676
EOS-3-46513,Fc1cc(Cl)ncc1-c1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1F,FDSPCYGVMCOJTC-UHFFFAOYSA-N,3,1,0.553,37,494,465.851,4.196,5,0.347,0.6,1.0,0.9668460009594956,0.9688763621410459,0.8760879994517168,0.8855287505996847,0.9243347782879856
EOS-3-46514,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cc(Cl)n2)nc1,UZJIRVKNQQOYBC-UHFFFAOYSA-N,3,1,0.461,73,775,470.802,3.688,5,0.358,0.57,0.997,0.8868480570214515,0.8729867726680831,0.7909841683229388,0.8146631485162086,0.8413705366321704
EOS-3-46515,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ncn4)n23)nc1,MKFFDRICFAFAJC-UHFFFAOYSA-N,3,1,0.402,46,354,414.404,3.065,5,0.404,0.63,1.0,0.482232197930231,0.4910561304913988,0.43616784319100815,0.36966280583921596,0.44477974436296347
EOS-3-46516,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)cn1,GLZPUGPSGGUIKP-UHFFFAOYSA-N,3,1,0.57,75,530,410.441,2.968,5,0.421,0.71,1.0,0.6207850729901995,0.38259029538756767,0.24506545130559934,0.1909481872387088,0.35984725173051885
EOS-3-46517,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnc(C)o6)c(F)c5)n34)cn2)c(C)nn1,IDLSAZDYHJEYFO-UHFFFAOYSA-N,3,1,0.318,98,424,479.479,4.425,6,0.361,0.68,1.0,0.33926735658967855,0.3871393324652183,0.3399441436501953,0.2996881639366733,0.34150974916044136
EOS-3-46518,Fc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5cc(F)cnc5F)n34)c2)nc1,JPQQHDQWTNLICA-UHFFFAOYSA-N,3,1,0.506,73,665,453.359,3.779,5,0.296,0.65,1.0,0.8851175382084847,0.8837896648619011,0.8860341991638682,0.8812452881913508,0.8840466726064011
EOS-3-46519,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)nn2)nc1,GLOQADFNLAVGTR-UHFFFAOYSA-N,3,1,0.432,54,445,453.359,3.779,5,0.296,0.65,0.992,0.839927009800562,0.7636214104585018,0.9045473236926873,0.9038619697073539,0.8529894284147763
EOS-3-46520,Cc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)cnn2)nnc1Cl,SALBGECQHSWXLB-UHFFFAOYSA-N,3,1,0.314,98,63,481.911,3.463,6,0.372,0.63,1.0,0.10312864094304708,0.22336543074497978,0.23457096840518127,0.26976389555205266,0.20770723391131518
EOS-3-46521,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cnc(C)nc1,KAQBHTLMYBITQU-UHFFFAOYSA-N,3,1,0.429,65,690,472.94,4.184,5,0.347,0.63,0.995,0.5982968953464465,0.6223271194571997,0.29251764786512235,0.272565279967103,0.4464267356589679
EOS-3-46522,C#Cc1cc(-c2cccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)ccc1F,OMDPFKGZKMYDAT-UHFFFAOYSA-N,3,1,0.471,97,210,456.868,4.601,5,0.36,0.6,1.0,0.7901446096909054,0.809497292851758,0.8734065519840998,0.882658830786101,0.838926821328216
EOS-3-46523,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3ccccc3-c3ccccn3)n12,IRXPJVOZMDWHJV-UHFFFAOYSA-N,3,1,0.488,57,709,449.848,5.364,5,0.338,0.75,1.0,0.9265643204715236,0.9199078198889726,0.947416215475293,0.9553920224796107,0.93732009457885
EOS-3-46524,c1cc(-c2ccncc2)cc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,DJWVYAQMRGZWQG-UHFFFAOYSA-N,3,1,0.284,42,174,417.436,3.7,6,0.466,0.54,1.0,0.12118771845658283,0.12014255362894935,0.45069734768007674,0.48267767802069766,0.29367632444657665
EOS-3-46525,Fc1ccccc1-c1cncc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)c1,LWMHUYJFTWVLRL-UHFFFAOYSA-N,3,1,0.511,88,137,464.863,4.801,5,0.336,0.71,1.0,0.8868566239462683,0.9122746898773216,0.8785809745733671,0.9038705366321705,0.8953957062572819
EOS-3-46526,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(Cl)c(F)c5)n34)c2)o1,ZUSAVNQSCXTFKR-UHFFFAOYSA-N,3,1,0.544,2,884,454.824,4.66,5,0.357,0.64,1.0,0.8514752244534302,0.7681533136865191,0.9161897745185388,0.8908145432115687,0.8566582139675142
EOS-3-46527,N#Cc1cnc(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)cn1,RWROWFARIQQYTQ-UHFFFAOYSA-N,3,1,0.489,4,506,412.438,3.155,5,0.432,0.67,1.0,0.48714104585018164,0.4910646974162155,0.39255362894935236,0.35344561716126377,0.43105124734425326
EOS-3-46528,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)n1,LRYOPSSUPWACRQ-UHFFFAOYSA-N,3,1,0.441,44,531,479.331,4.275,5,0.356,0.69,0.998,0.7135905695291618,0.6902542663285587,0.3106281269275581,0.4487954903707765,0.5408171132890138
EOS-3-46529,CCOc1cc(Cc2cncc3nnc(-c4ccc(C)cc4Cl)n23)ccc1Cl,QBRHJNSYABJRKA-UHFFFAOYSA-N,3,1,0.378,23,646,413.308,5.396,4,0.44,0.84,1.0,0.5808203687204441,0.6180179562744157,0.9189654581591392,0.9236686998834899,0.7603681207593722
EOS-3-46530,Cn1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1ccc(Cl)c(F)n1,YZAOVGPVENASCS-UHFFFAOYSA-N,3,1,0.442,95,998,468.855,3.535,5,0.352,0.58,0.975,0.5303868823247208,0.49594784456171614,0.5800836131862107,0.6314080597628675,0.5594565999588788
EOS-3-46531,COc1nc(Cl)ccc1-c1cncc2nnc(-c3nc(C)ncc3-c3cc(F)ccn3)n12,QWYXGXHCVBAQAC-UHFFFAOYSA-N,3,1,0.278,50,155,448.849,3.815,5,0.382,0.51,1.0,0.5096634911932013,0.5552052635186073,0.38162223288328423,0.4074515112055377,0.4634856247001577
EOS-3-46532,Clc1ccc(-c2cccc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)c2)cc1,GZIFGWYUKVIXAK-UHFFFAOYSA-N,3,1,0.56,11,275,463.328,5.177,5,0.346,0.7,1.0,0.829997943938044,0.9141765471866219,0.7145329312589953,0.832653690631211,0.8228402782537181
EOS-3-46533,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nc2)ccn1,HOFSXTPOCRUEDS-UHFFFAOYSA-N,3,1,0.539,27,969,468.374,3.775,5,0.284,0.72,1.0,0.8514837913782468,0.9081368651908711,0.9263501473511069,0.834718319512028,0.8801722808580632
EOS-3-46534,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5cc(C)n(C)n5)n34)c2)cnn1,NHKQZFLZDIZWKA-UHFFFAOYSA-N,3,1,0.466,36,506,412.457,3.178,5,0.437,0.66,1.0,0.21245116852854498,0.16836577342197245,0.23805770680556507,0.16116098965115483,0.19500890960180933
EOS-3-46535,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)nc4Cl)n23)oc1Cl,FBVGIXYRDJIZMH-UHFFFAOYSA-N,3,1,0.466,92,677,457.281,3.769,5,0.367,0.57,1.0,0.4028939072030704,0.4777259954766637,0.2666112672195189,0.29969673086148996,0.36173197519018574
EOS-3-46536,Clc1ccnc(-c2cncc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)c1,ISTAFGBCJZAVMQ-UHFFFAOYSA-N,3,1,0.427,13,995,435.274,5.347,5,0.379,0.69,1.0,0.5867315468439449,0.6560893701596875,0.8734151189089164,0.9215955040778562,0.7594578849976013
EOS-3-46537,Cn1cnnc1-c1cc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)no1,HCSXGCKKOMKLLQ-UHFFFAOYSA-N,3,1,0.494,65,349,466.465,2.653,6,0.345,0.6,1.0,0.32980090466726064,0.14897882256185319,0.13533171132890137,0.12322664656294977,0.18433452128024125
EOS-3-46538,COc1c(-c2ncon2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)nc1Cl,QGVXNVYUGOFDKD-UHFFFAOYSA-N,3,1,0.447,18,262,468.836,3.054,5,0.329,0.61,1.0,0.6713042286340896,0.49107326434103216,0.30699575080529096,0.2997052977863066,0.44226963539167985
EOS-3-46539,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)c(F)n1,KAWPXIPBWBRUCY-UHFFFAOYSA-N,3,1,0.458,58,510,452.4,3.021,5,0.366,0.51,1.0,0.7529470221369338,0.7143701596874786,0.4856932355561648,0.4613717360016448,0.6035955383455555
EOS-3-46540,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccncn4)c(Cl)c3)n12,VQBSDFVNBWFLJA-UHFFFAOYSA-N,3,1,0.482,13,145,453.264,5.487,5,0.358,0.72,1.0,0.9039647728051539,0.9163097114659722,0.9486327187992598,0.965029812898362,0.9334842539921869
EOS-3-46541,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)nc(C)n1,HKUYVGJQHKHCLN-UHFFFAOYSA-N,3,1,0.394,31,330,463.452,3.068,5,0.339,0.58,0.99,0.4256133918168734,0.25365807689671716,0.27801384415050373,0.23143547392228087,0.2971801966965938
EOS-3-46542,CCCc1nn(CC)cc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,CCBYJYGSNOWKJJ-UHFFFAOYSA-N,3,1,0.308,82,974,428.475,4.223,5,0.376,0.71,0.987,0.10313720786786375,0.19878692344595983,0.18238982934685766,0.20213659104927695,0.17161263792748954
EOS-3-46543,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)n1,LOEXZGVUBLFHOW-UHFFFAOYSA-N,3,1,0.518,92,466,412.417,1.758,5,0.406,0.65,1.0,0.5353985333424713,0.35868000822424784,0.05740696319649099,0.054665547255157286,0.25153776300459185
EOS-3-46544,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncc(F)cn1,ADBYBOUSLUPRRG-UHFFFAOYSA-N,3,1,0.5,15,467,477.887,4.066,5,0.323,0.69,1.0,0.9429014460969091,0.8494876978959632,0.5508104310876568,0.5014478102940169,0.7111618463436366
EOS-3-46545,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)nc2)c1,IYSFHFUPDISDKM-UHFFFAOYSA-N,3,1,0.344,32,479,422.473,5.237,6,0.387,0.73,1.0,0.16533308203687205,0.20325885820026043,0.6176067438832157,0.6226355287505997,0.40220855321773696
EOS-3-46546,COCc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)c2)cn1,FSAYXKWQZFMJRY-UHFFFAOYSA-N,3,1,0.65,59,11,476.899,4.766,5,0.334,0.73,1.0,0.8714447262010828,0.8357292166403948,0.8501473511068467,0.8244979782057432,0.8454548180385169
EOS-3-46547,CCc1cc(Cc2cncc3nnc(-c4cc(Cl)c(C(F)F)cn4)n23)ccc1F,ZPTUHIXJNJZCAB-UHFFFAOYSA-N,3,1,0.366,66,225,417.822,5.07,4,0.455,0.68,0.998,0.3786238091974505,0.4959564114865328,0.97475327256528,0.9709838256459461,0.7050793297238024
EOS-3-46548,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)cnn5)n34)nc2F)s1,QUUWHEOQNKXLER-UHFFFAOYSA-N,3,1,0.4,46,223,454.878,3.78,5,0.369,0.59,1.0,0.5021588650538003,0.5740524981152766,0.32547460763484337,0.3665701459803989,0.4420640291960798
EOS-3-46549,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ncn4)n23)n1,IFDWSSWFBACQJZ-UHFFFAOYSA-N,3,1,0.392,46,395,415.392,2.46,5,0.399,0.6,0.915,0.4578507299019944,0.3918168734151189,0.2628846549242684,0.21688026865876225,0.332358131725036
EOS-3-46550,CCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncc(F)cn1,QYLNCHLTCVGAKI-UHFFFAOYSA-N,3,1,0.444,18,578,476.903,4.015,5,0.324,0.68,1.0,0.8120331025974916,0.772333972997053,0.2997395654855733,0.337502570077445,0.5554023027893907
EOS-3-46551,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc(C)n2)cc(C)n1,BSVQDTPSAHIAMI-UHFFFAOYSA-N,3,1,0.429,31,531,472.94,4.238,5,0.361,0.61,1.0,0.5781046535535604,0.5231820985539031,0.27412446028373655,0.24588787608799945,0.40532477211979984
EOS-3-46553,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cc4)c3)n12,LBWMHOLBVWIMCQ-UHFFFAOYSA-N,3,1,0.561,59,89,467.291,5.273,5,0.35,0.74,1.0,0.9521023233500103,0.9235744637105064,0.937744157357275,0.9560773764649442,0.942374580220684
EOS-3-46554,CCOc1ccc(F)cc1-c1nnc2cncc(-c3ccc(Oc4ncccn4)cc3Cl)n12,IHHWOUSURVXRJU-UHFFFAOYSA-N,3,1,0.393,96,586,462.872,5.232,5,0.341,0.76,1.0,0.44857275032554317,0.5508961003358235,0.8138321568089918,0.7740130902611199,0.6468285244328696
EOS-3-46555,Fc1nc(C(F)F)ccc1-c1nnc2cncc(Cc3ccc(C(F)(F)F)cn3)n12,GIBRHVSSMNLZAN-UHFFFAOYSA-N,3,1,0.408,66,455,424.308,4.268,4,0.362,0.61,1.0,0.46009526420396135,0.5986995408128298,0.9941830580494826,0.9852306216160647,0.7595521211705847
EOS-3-46556,Cn1cccc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,FRNXHHYFXQZZQD-UHFFFAOYSA-N,3,1,0.568,57,13,451.864,5.307,5,0.363,0.7,1.0,0.9609091220615448,0.9688849290658625,0.9754557604002467,0.9750274141594133,0.9700693064217669
EOS-3-46557,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccnc(Cl)c5)c4)n23)cn1,AUSACBUUYFZJNQ-UHFFFAOYSA-N,3,1,0.489,55,875,430.859,3.579,5,0.39,0.52,1.0,0.6437187307244192,0.6853111507093413,0.5237132478925365,0.49492838050853266,0.5869178774587074
EOS-3-46558,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4cnccn4)ncn3)n12,VGBRPUZVCSRNRA-UHFFFAOYSA-N,3,1,0.43,18,324,415.392,2.194,5,0.411,0.57,0.778,0.6467771228839696,0.5138698512781852,0.28178329106983757,0.28168048797203754,0.43102768830100746
EOS-3-46559,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4Cl)n23)c1,NYEOMKHNVSBPLN-UHFFFAOYSA-N,3,1,0.557,88,70,467.867,4.14,5,0.349,0.59,1.0,0.7135991364539784,0.7892108148858885,0.8303834555547941,0.8463607703378795,0.7948885443081352
EOS-3-46560,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)cn1,GJKWUIBUSQIXFN-UHFFFAOYSA-N,3,1,0.261,39,953,479.895,3.519,6,0.369,0.61,1.0,0.1959512713316428,0.2536666438215338,0.24169008292783223,0.3215338222191762,0.25321045507504625
EOS-3-46561,Clc1ccnc(COc2cncc3nnc(-c4cc(-c5ccccn5)cnc4Cl)n23)n1,YGRGZUIVRSQCFB-UHFFFAOYSA-N,3,1,0.43,55,422,451.277,3.924,5,0.293,0.69,1.0,0.5303954492495374,0.6610667534781715,0.42862894935234047,0.5317832910698376,0.5379686107874717
EOS-3-46562,COc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c(F)cn2)s1,XQHHQYCNLIAOFF-UHFFFAOYSA-N,3,1,0.396,46,915,470.877,3.48,5,0.368,0.58,1.0,0.6320077445000343,0.6083544650812145,0.245074018230416,0.27882770200808715,0.441065982454938
EOS-3-46563,c1ccc(-c2csc(COc3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)cc1,QWCODHGFPHCSNK-UHFFFAOYSA-N,3,1,0.477,28,363,463.526,4.951,6,0.345,0.75,1.0,0.33927592351449526,0.4245767939140566,0.40728873963402096,0.41399664176547185,0.3962845247070112
EOS-3-46564,COc1ccc(Cl)cc1COc1cncc2nnc(-c3cccc(-c4ccnc(C)c4)c3)n12,VSZLKHYIKCRHCI-UHFFFAOYSA-N,3,1,0.5,1,962,457.921,5.403,5,0.339,0.77,1.0,0.7136077033787952,0.685319717634158,0.8760965663765334,0.8125299842368583,0.7718884929065862
EOS-3-46565,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)nn1C,JQXNMESJOYUIDQ-UHFFFAOYSA-N,3,1,0.43,31,569,419.424,2.081,5,0.388,0.58,1.0,0.3218593653622096,0.17259783428140635,0.19564286203824274,0.16633541224042217,0.2141088684805702
EOS-3-46566,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1Cl,NSJJUZHKQRRTEI-UHFFFAOYSA-N,3,1,0.542,4,554,457.346,5.139,5,0.366,0.71,1.0,0.5354071002672881,0.6267476526626002,0.7779881433760537,0.8146717154410252,0.6887036529367419
EOS-3-46567,Fc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCc5c(F)cc(F)cc5F)n34)c2)nc1,VFYMFJWZJUTKKF-UHFFFAOYSA-N,3,1,0.512,59,13,469.373,5.128,5,0.334,0.75,1.0,0.9240456445754232,0.8786923445959838,0.987543691316565,0.9890429031594818,0.9448311459118635
EOS-3-46568,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1ncon1,WPPHYEGYODTTGG-UHFFFAOYSA-N,3,1,0.385,46,717,452.837,3.565,5,0.356,0.59,0.997,0.6265763141662669,0.5413354122404221,0.3070043177301076,0.3438163936673292,0.4546831094510315
EOS-3-46569,Fc1cccc(-c2ccc(C=Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)c1,OKHSSCMUUTVPBQ-UHFFFAOYSA-N,3,1,0.381,14,358,444.42,5.495,5,0.358,0.75,0.997,0.34403056678774585,0.5646888492906587,0.9432612569392091,0.9128658076896717,0.6912116201768214
EOS-3-46570,CCn1c(C)nc(-c2ccc(C)nc2)c1-c1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,CSMDXBKWXZVTON-UHFFFAOYSA-N,3,1,0.3,86,812,474.532,4.206,6,0.365,0.65,1.0,0.1211962853813995,0.08557501199369474,0.07807038585429374,0.0652028647796587,0.08751113700226167
EOS-3-46571,Fc1cc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)ccc1Cl,ZFJIIYFLPCTKRQ-UHFFFAOYSA-N,3,1,0.274,64,449,481.882,4.56,6,0.36,0.74,1.0,0.3346497841134946,0.44237029675827566,0.5508189980124735,0.6461089027482695,0.49348699540812824
EOS-3-46572,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)ncn2)cn1,WNXCNUFTSQDPGD-UHFFFAOYSA-N,3,1,0.402,7,296,417.458,2.691,5,0.425,0.62,1.0,0.2613597423069015,0.16440785415667192,0.03734322527585498,0.021520115139469536,0.12115773421972449
EOS-3-46573,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)on2)nn1,FHXCRKFBFQFPFY-UHFFFAOYSA-N,3,1,0.35,3,774,466.892,4.927,6,0.36,0.68,1.0,0.2586954286889178,0.39182544033993555,0.46472140360496195,0.5927455280652457,0.42699695017476524
EOS-3-46574,FCCn1cncc1-c1nnc2cncc(OCc3cnnc(-c4ccc(F)nc4)c3)n12,QRUBESGBGRGMDK-UHFFFAOYSA-N,3,1,0.363,92,62,435.398,2.527,5,0.359,0.53,0.602,0.3121102049208416,0.11107018024809814,0.3035004454800905,0.312410047289425,0.2597727194846138
EOS-3-46575,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccc(C(F)F)nc4)nn3)n12,PFYXPCAEYKAANZ-UHFFFAOYSA-N,3,1,0.418,13,251,469.814,5.166,5,0.351,0.73,0.997,0.7075594544582277,0.8494962648207799,0.9306164759098075,0.9267527928174902,0.8536062470015764
EOS-3-46576,c1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccs6)cn5)n34)cc2)ccn1,ZMONWZCHDXLBET-UHFFFAOYSA-N,3,1,0.427,41,25,449.499,5.164,6,0.359,0.7,1.0,0.5122250017133849,0.5050973202659174,0.5706428620382428,0.5248012473442533,0.5281916078404496
EOS-3-46577,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)nn1,FCWGAWZHHUDXMJ-UHFFFAOYSA-N,3,1,0.337,6,318,466.44,3.37,6,0.352,0.57,0.991,0.4921184291686656,0.46876499211842915,0.30701288465492427,0.2847817147556713,0.38816950517442256
EOS-3-46578,Fc1ccc(-c2nnc3cncc(CCc4ccc(-c5ccc(F)c(Cl)n5)o4)n23)cn1,AIXFQFSMQQTLAW-UHFFFAOYSA-N,3,1,0.361,14,81,438.825,4.558,5,0.374,0.61,0.994,0.40489000068535397,0.5740610650400932,0.7756151052018367,0.8207028305119595,0.6438172503598109
EOS-3-46579,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2O)nc1,QRWRFKUBOVWZMF-UHFFFAOYSA-N,3,1,0.489,4,31,450.911,4.556,5,0.419,0.58,0.998,0.8252004660407101,0.7851072578987047,0.5134243711877184,0.4795850181618806,0.6508292783222535
EOS-3-46580,CCn1cncc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnc(C)n5C)ns4)n23)cc1,INMRDGZGLAIHGT-UHFFFAOYSA-N,3,1,0.28,98,882,468.55,3.902,6,0.378,0.59,0.986,0.06359228291412515,0.07861010211774382,0.04807758207113974,0.0520269344116236,0.060576725378658075
EOS-3-46581,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C#N)cn4)n23)cn1,LIHGCRNAJYMKIQ-UHFFFAOYSA-N,3,1,0.43,33,760,411.389,1.222,5,0.414,0.69,1.0,0.36469398944554865,0.18125042834624083,0.08746830237817833,0.09454458227674593,0.18198932561167844
EOS-3-46582,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)nn6)n5)n34)cn2)cn1,HGFNWDMDLVSDED-UHFFFAOYSA-N,3,1,0.292,70,719,483.883,2.948,6,0.36,0.67,0.781,0.11881468028236584,0.29506202453567265,0.16312281543417176,0.17439688849290658,0.1878491021862792
EOS-3-46583,CCn1cnnc1-c1nc(Oc2cncc3nnc(-c4ccc(C#N)cc4)n23)c(Cl)cc1Cl,NAAWUVRXKKJISN-UHFFFAOYSA-N,3,1,0.441,36,292,478.303,4.435,5,0.364,0.73,1.0,0.7167260640120622,0.7681618806113357,0.4252964155986567,0.5513501473511069,0.6153836268932904
EOS-3-46584,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnn(C)n6)cc5Cl)n34)cc2)n1C,SRENSOLEKAXKCW-UHFFFAOYSA-N,3,1,0.325,25,508,482.939,4.011,6,0.374,0.68,1.0,0.2453224590500994,0.2690699746419025,0.3364402714001782,0.3599564800219313,0.30269729627852787
EOS-3-46585,Cc1cnnc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n1,CITLQNFJVLMISQ-UHFFFAOYSA-N,3,1,0.385,92,658,413.405,1.153,5,0.395,0.61,1.0,0.432227057775341,0.2586954286889178,0.016979644986635598,0.014640874511685286,0.18063575149064492
EOS-3-46587,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5nc(Cl)ns5)n34)cc(Cl)n2)n1,FVNUCYIWADPOOF-UHFFFAOYSA-N,3,1,0.462,24,486,471.333,4.294,5,0.35,0.71,0.993,0.40290247412788704,0.555213830443424,0.19565142896305943,0.28168905489685425,0.35886419710780615
EOS-3-46588,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)nc1F,GOURKYGMBLHAAI-UHFFFAOYSA-N,3,1,0.438,18,773,468.855,3.535,5,0.352,0.57,1.0,0.7290967034473306,0.705177849359194,0.5674045644575423,0.5770680556507436,0.6446867932287027
EOS-3-46589,COc1ccnc(CCOc2cncc3nnc(-c4cnc(OC)c(-c5ccccn5)c4)n23)c1F,FDLCGCHDEIOFDA-UHFFFAOYSA-N,3,1,0.436,49,657,473.468,3.421,5,0.335,0.62,1.0,0.6236121581796998,0.5460643547392228,0.3552875059968474,0.21119183058049482,0.4340389623740662
EOS-3-46590,Cc1ccc(-c2cc(-c3nnc4cncc(COc5cccc(Cl)c5)n34)cc(Cl)n2)cn1,AQTUFRKTFDGNFJ-UHFFFAOYSA-N,3,1,0.402,14,189,463.328,5.443,5,0.323,0.82,1.0,0.44378383935302584,0.5846326502638612,0.8354893427455281,0.860067850044548,0.6809934206017407
EOS-3-46591,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cn2)s1,MGCXFGCXAAGOCW-UHFFFAOYSA-N,3,1,0.482,13,110,438.875,5.203,5,0.383,0.72,1.0,0.6467856898087863,0.7933914741964224,0.7302275375231307,0.7513621410458502,0.7304417106435475
EOS-3-46592,Cn1cc(-c2cnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)nc2F)cn1,WONOXNPOHNMHMM-UHFFFAOYSA-N,3,1,0.417,87,954,451.853,2.791,5,0.286,0.65,1.0,0.4871496127749983,0.3965029812898362,0.24508258515523268,0.284790281680488,0.3533813652251388
EOS-3-46593,COc1nc(-c2nnc3cncc(OCCCCc4ccncc4)n23)ccc1-c1ncc(C)cn1,NVOHRXCDITZFEM-UHFFFAOYSA-N,3,1,0.4,49,896,468.521,3.757,5,0.298,0.68,0.997,0.41170927283942155,0.13057706805565075,0.06135631553697485,0.04160955383455555,0.16131305256665068
EOS-3-46594,Cn1cnc(-c2ccc(-c3nnc4cncc(CCc5ccncc5)n34)c(Cl)n2)c1,WIVANXSKZAWOJF-UHFFFAOYSA-N,3,1,0.356,85,580,416.876,3.42,5,0.408,0.65,1.0,0.25337536837776714,0.34899081625659656,0.29974813241038994,0.3470632581728463,0.3122943938044
EOS-3-46595,O=c1[nH]c(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)nn2CCF)ncc1F,NTMIQPQQHGHHKV-UHFFFAOYSA-N,3,1,0.49,95,54,464.436,2.468,5,0.375,0.55,0.564,0.25579124117606744,0.05637036529367418,0.12387773284901651,0.19095675416352545,0.1567490233705709
EOS-3-46596,CCc1nc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1cnc(C)nc1C,ILLORXXCPOIICM-UHFFFAOYSA-N,3,1,0.374,31,690,458.551,4.166,5,0.373,0.61,1.0,0.2557998081008841,0.1987954903707765,0.04171235693235556,0.017613597423069016,0.12848031320677128
EOS-3-46597,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCc3cnc(Cl)c(F)c3)n12,WIBGXCQSPBZULF-UHFFFAOYSA-N,3,1,0.512,57,962,449.848,5.364,5,0.338,0.78,1.0,0.9480930025358097,0.9458998697827428,0.9573624151874444,0.9650383798231786,0.9540984168322938
EOS-3-46598,Fc1cccc(OCCCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)c1,GQPVDYXUGDOTRI-UHFFFAOYSA-N,3,1,0.453,2,884,447.495,4.902,5,0.315,0.75,1.0,0.7558769104242341,0.6366081831265848,0.6694023713247893,0.6806850113083408,0.6856431190459873
EOS-3-46599,Clc1cnc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6csnn6)cn5)n34)n2)nc1,PKBOBKRETRZRSF-UHFFFAOYSA-N,3,1,0.247,99,813,460.874,2.396,6,0.385,0.49,1.0,0.005577068055650744,0.08558357891851141,0.033488109108354466,0.07436090740867658,0.0497524158727983
EOS-3-46600,CC#Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cnn2)n1,BZBGUWLOLWOQQQ-UHFFFAOYSA-N,3,1,0.37,51,48,456.857,2.432,5,0.363,0.5,1.0,0.5071962168460009,0.5321259680625042,0.1823983962716743,0.19096532108834213,0.3531714755671304
EOS-3-46601,COCc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)cc(C)n1,QDJQAJKDFKVYJL-UHFFFAOYSA-N,3,1,0.5,16,214,473.924,4.331,5,0.344,0.69,1.0,0.6069152217120143,0.6462202727708861,0.635006168185868,0.5480261805222397,0.609041960797752
EOS-3-46602,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)nn1,MJAWJQGWRBNSKH-UHFFFAOYSA-N,3,1,0.576,58,579,410.441,2.968,5,0.421,0.69,1.0,0.6379274895483518,0.5509046672606401,0.16626687684188884,0.13401240490713454,0.3722778596395038
EOS-3-46603,Fc1ccc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)cc1,DBBQQUWFYSUPDP-UHFFFAOYSA-N,3,1,0.561,57,222,463.875,5.406,5,0.337,0.77,1.0,0.94989205674731,0.9660749777259955,0.9246538962374066,0.9488897265437598,0.9473776643136179
EOS-3-46604,Cc1cc(OCc2cncc3nnc(-c4cccc(-c5ccnc(F)c5)c4)n23)ccc1Cl,GLCKSPNNAZSWIW-UHFFFAOYSA-N,3,1,0.424,14,18,445.885,5.533,5,0.333,0.82,1.0,0.6207936399150161,0.70022616681516,0.9405198409978754,0.9386008498389418,0.8000351243917483
EOS-3-46605,CCn1nc(-c2cc(F)nc(CF)c2)cc1-c1nnc2cncc(OCCc3ccncc3)n12,WDONYIVECZIJPV-UHFFFAOYSA-N,3,1,0.432,31,493,462.464,3.695,5,0.325,0.64,1.0,0.29109553834555546,0.1168014529504489,0.29975669933520666,0.28479884860530463,0.2481131348091289
EOS-3-46606,Cc1cc(-c2cccc(COc3cncc4nnc(-c5ccccc5)n34)c2)nnc1Cl,AQAJUSTZTYYMFZ-UHFFFAOYSA-N,3,1,0.58,1,613,428.883,4.789,5,0.4,0.6,1.0,0.8252090329655267,0.8016842574189569,0.6830837502570077,0.6922246590363923,0.7505504249194708
EOS-3-46607,COc1ncc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1-c1ccccc1,PSZPJUHXSLXOCH-UHFFFAOYSA-N,3,1,0.489,57,962,463.419,4.858,5,0.335,0.73,1.0,0.92531354944829,0.8989959564114866,0.9432698238640258,0.9107240764855048,0.9195758515523268
EOS-3-46608,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cncs5)s4)n23)cn1,WNENUKJRRFBRHG-UHFFFAOYSA-N,3,1,0.456,80,34,473.547,3.746,6,0.36,0.63,1.0,0.42310328284558973,0.29997943938043997,0.07580015077787677,0.06205023644712494,0.21523327736275782
EOS-3-46609,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)ccc1-c1cncc(C)n1,LESPAOYWVZNHPB-UHFFFAOYSA-N,3,1,0.483,13,374,443.898,4.96,5,0.379,0.66,0.978,0.5047118086491673,0.5413439791652388,0.392562195874169,0.42669282434377354,0.46632770200808715
EOS-3-46610,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(F)c(C6CC6)n5)c(C)n4)n23)n(C)n1,JKKIGEGVDYAWDM-UHFFFAOYSA-N,3,1,0.353,31,662,471.5,3.589,6,0.37,0.64,0.754,0.4048985676101707,0.36327187992598176,0.030875197039270785,0.03913371256253855,0.20954483928449041
EOS-3-46611,FCc1cc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)c(F)n2)ccn1,KLFBGHOLVHFRPK-UHFFFAOYSA-N,3,1,0.467,55,143,437.435,3.892,5,0.372,0.59,1.0,0.5983054622712631,0.5942618737577959,0.4785826879583305,0.4550407785621273,0.5315477006373792
EOS-3-46612,Fc1cc(F)c(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)s2)s1,VPDCYVVXIFCBNP-UHFFFAOYSA-N,3,1,0.356,98,635,466.458,4.367,6,0.377,0.59,1.0,0.2827085189500377,0.39183400726475226,0.24509115208004933,0.34707182509766293,0.3166763758481256
EOS-3-46613,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cccs5)cc4)n23)cc1,IURCLWBCGYHMNN-UHFFFAOYSA-N,3,1,0.325,69,498,451.49,5.178,6,0.367,0.67,1.0,0.19595983825645946,0.3294496607497773,0.6114985264889315,0.7331659927352477,0.467518504557604
EOS-3-46614,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4C)n23)n1,GKNLXHQEGGQQCR-UHFFFAOYSA-N,3,1,0.462,72,92,409.453,3.839,5,0.435,0.79,1.0,0.4117178397642382,0.2639126859022685,0.42144986635597287,0.3244894112809266,0.3553924508258516
EOS-3-46615,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)ncc5F)ncn4)n23)cn1,XMRDKVAKBXYCDM-UHFFFAOYSA-N,3,1,0.427,51,354,449.837,3.113,5,0.373,0.51,0.986,0.6236207251045165,0.6560979370845041,0.46472997052977866,0.4390548968542252,0.5458758823932561
EOS-3-46616,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nnc(C(F)(F)F)s5)nc4)n23)n1,ANNCRMVGSYYMQL-UHFFFAOYSA-N,3,1,0.472,27,52,476.469,4.068,5,0.374,0.67,1.0,0.555830649030224,0.6316650675073675,0.3254831745596601,0.19906106504009322,0.42800998903433624
EOS-3-46617,Cc1cnc(COc2cncc3nnc(-c4cc(C)nc(-c5cccnn5)c4)n23)cn1,FRTLZLWWJHFLGX-UHFFFAOYSA-N,3,1,0.455,7,587,411.429,2.629,5,0.43,0.65,0.999,0.3370142553628949,0.1812589952710575,0.13534027825371805,0.08687718456582826,0.1851226783633747
EOS-3-46618,FC(F)c1ncccc1-c1ncc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)nn1,UBHNYABAEOQQOU-UHFFFAOYSA-N,3,1,0.306,50,542,472.341,3.452,5,0.362,0.54,0.539,0.26136830923171817,0.420130559934206,0.8229130971146598,0.7145072304845452,0.5547297991912823
EOS-3-46619,Fc1cc(-c2cnns2)ccc1-c1cncc2nnc(-c3ncncc3-c3ccccc3)n12,ZKRXDLQJJPXFOV-UHFFFAOYSA-N,3,1,0.309,30,774,452.478,4.573,6,0.387,0.58,0.973,0.12401480364608321,0.23843465149749846,0.5800921801110274,0.6688883558357892,0.40285749777259955
EOS-3-46620,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5ccc(Cl)nn5)s4)n23)ccc1Cl,MTQOLBAYLYDUOK-UHFFFAOYSA-N,3,1,0.517,34,391,474.308,4.73,5,0.364,0.73,1.0,0.7529555890617504,0.9180744979782057,0.6501953258858201,0.7693012816119525,0.7726316736344322
EOS-3-46621,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccsc6)ns5)n34)cn2)cc1,FLJQEFRUOMHKHP-UHFFFAOYSA-N,3,1,0.36,42,693,457.519,5.239,6,0.36,0.75,1.0,0.22068398327736274,0.37778425056541703,0.41386813789322185,0.5381827839078884,0.38762978891097255
EOS-3-46622,Cc1cnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nn1,YHFMQZWMGOVXIP-UHFFFAOYSA-N,3,1,0.517,37,482,480.319,3.67,5,0.359,0.62,1.0,0.665178877390172,0.7807381262422041,0.252501542046467,0.3566496470426975,0.5137670481803852
EOS-3-46623,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4ccc(-c5ncco5)cn4)n23)s1,WTBBMCBYTDRSBB-UHFFFAOYSA-N,3,1,0.292,32,368,438.476,4.335,6,0.4,0.55,1.0,0.08600335823452813,0.14143992872318553,0.09002124597354534,0.11158419573709821,0.1072621821670893
EOS-3-46624,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)cn1,UJACPXCXFUTRQH-UHFFFAOYSA-N,3,1,0.415,31,194,417.408,2.137,5,0.387,0.6,0.992,0.4343687889795079,0.3729782057432664,0.2594321842231513,0.2252758549790967,0.3230137584812556
EOS-3-46625,Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ccn(C)n5)nc4)n23)nc1C,SRAMKFDXZPRFPJ-UHFFFAOYSA-N,3,1,0.427,7,986,413.445,2.573,5,0.432,0.62,1.0,0.30425433486395725,0.16046706874100472,0.07580871770269344,0.03668357206497156,0.14430342334315674
EOS-3-46626,CCOc1nc(-c2cnc(C)s2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,CRPAFHSAUZMISH-UHFFFAOYSA-N,3,1,0.479,35,710,477.525,4.173,5,0.328,0.7,1.0,0.5670447536152423,0.5740696319649099,0.25577410732643413,0.17701836748680694,0.3934767150983483
EOS-3-46627,Clc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ccncn6)cn5)n34)nc2)nn1,QKOFSQQFMFMOTB-UHFFFAOYSA-N,3,1,0.32,6,318,480.879,3.941,6,0.357,0.66,1.0,0.5726132547460764,0.5604139538071414,0.4103385648687547,0.3981478308546364,0.48537840106915225
EOS-3-46628,FCc1cc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)cnn2)ccn1,XSCSIUQYJHLWOE-UHFFFAOYSA-N,3,1,0.464,65,778,434.46,3.191,5,0.385,0.54,1.0,0.4747704064149133,0.42013912685902266,0.2235196353916798,0.2168888355835789,0.3338295010622987
EOS-3-46629,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(-n6cccn6)cn5)n34)cc2)cs1,FKPAVCXDARABPM-UHFFFAOYSA-N,3,1,0.506,40,932,466.53,4.383,6,0.359,0.68,1.0,0.28271708587485433,0.25870399561373447,0.37011685285449936,0.2874374614488383,0.2997438489479816
EOS-3-46630,Cc1ccc(-c2nnc3cncc(OCc4ncccc4-c4c(F)cccc4Cl)n23)cc1,XGPUUNGQUBQKJT-UHFFFAOYSA-N,3,1,0.58,57,709,445.885,5.533,5,0.355,0.79,1.0,0.886865190871085,0.9235830306353231,0.9011976560893702,0.9071773696114043,0.9047058118017957
EOS-3-46631,COc1cc(CCOc2cncc3nnc(-c4cc(-c5cnc(Cl)nc5)nc(C)n4)n23)ccn1,IMNPYWLAPMOMQB-UHFFFAOYSA-N,3,1,0.426,18,851,475.9,3.025,5,0.324,0.64,1.0,0.5867401137687616,0.46446439586046195,0.1990953327393599,0.1317850044548009,0.34552121170584604
EOS-3-46632,Fc1ccccc1-c1ncnnc1-c1nnc2cncc(-c3nnc(-c4ccc(Cl)nc4)[nH]3)n12,JHEBMRWTBHYAMX-UHFFFAOYSA-N,3,1,0.318,10,407,471.847,3.283,6,0.384,0.55,0.003,0.21515831677061203,0.3489993831814132,0.2701237063943527,0.4676684257418957,0.3254874580220684
EOS-3-46633,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)nn1,SNBRSTNKAFBKEK-UHFFFAOYSA-N,3,1,0.443,53,411,417.408,2.137,5,0.387,0.57,1.0,0.5898327736275787,0.4337091357686245,0.15366493043657048,0.15058083750257006,0.33194691933383597
EOS-3-46634,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cn(C)c(C)n5)n34)cc2)nn1,PDWVZVLHBJFKJI-UHFFFAOYSA-N,3,1,0.471,36,320,413.445,2.573,5,0.432,0.63,1.0,0.34403913371256256,0.20814200534576108,0.08243951751079433,0.04274895483517237,0.1693424028510726
EOS-3-46635,c1cnnc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6nccs6)s5)n34)cc2)c1,FEODYEDQAIAPBZ-UHFFFAOYSA-N,3,1,0.506,81,120,470.543,4.407,6,0.353,0.68,1.0,0.4437924062778425,0.47315982454937977,0.1631313823589884,0.1717582756493729,0.3129604722088959
EOS-3-46636,Fc1ccc(C(F)(F)F)cc1-c1nnc2cncc(-c3ccc(-c4cnccn4)nc3F)n12,LYZWKIYTPYAVBW-UHFFFAOYSA-N,3,1,0.342,96,315,455.35,4.607,5,0.292,0.73,1.0,0.39218525118223563,0.6366167500514015,0.9892056747309985,0.9803389075457474,0.7495866458775957
EOS-3-46637,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)cn2)nn1,ZXKMHYFDGHFZQG-UHFFFAOYSA-N,3,1,0.537,92,408,410.401,1.827,5,0.425,0.69,1.0,0.49212699609348226,0.4599324926324447,0.23457953532999795,0.2168974025083956,0.3508841066410801
EOS-3-46638,Cn1nc(-c2cnccn2)nc1COc1cncc2nnc(-c3ccc(C#N)cc3)n12,SMKSQOKOEDWYEA-UHFFFAOYSA-N,3,1,0.518,92,408,410.401,1.827,5,0.425,0.69,1.0,0.5457216777465561,0.5184445891302858,0.082448084435611,0.10270886162703036,0.31233080323487084
EOS-3-46639,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cncn1CC,XTUGWZCZVAFEHL-UHFFFAOYSA-N,3,1,0.343,51,924,461.917,3.655,5,0.361,0.56,0.801,0.3921938181070523,0.3777928174902337,0.09443321225412926,0.09068946610924543,0.23877732849016517
EOS-3-46640,COc1cncc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)c(F)c5)n34)cn2)c1,ZMJUNBGDHSYBFZ-UHFFFAOYSA-N,3,1,0.287,86,213,481.455,2.649,6,0.362,0.62,1.0,0.29110410527037217,0.34900795010622987,0.23806627373038175,0.2432149955451991,0.2803483311630457
EOS-3-46641,Cn1cc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)c(C(F)F)n1,BQRHEKGGICVNKK-UHFFFAOYSA-N,3,1,0.329,61,734,407.388,2.925,5,0.455,0.78,1.0,0.0733157425810431,0.1604756356658214,0.44361250085669246,0.3730724419162497,0.2626190802549517
EOS-3-46642,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cncc(-c4ccsn4)c3)n12,XTWVRDUUFVRHKV-UHFFFAOYSA-N,3,1,0.471,65,349,418.486,2.973,5,0.418,0.59,1.0,0.2692927146871359,0.1896374477417586,0.09666917963127955,0.07993797546432732,0.15888432938112534
EOS-3-46643,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cc2)cc1,IXJGINOUUPDVAZ-UHFFFAOYSA-N,3,1,0.426,21,958,444.473,5.721,6,0.348,0.83,1.0,0.34175176478651226,0.5413525460900556,0.9306250428346241,0.9403913371256254,0.6885301727092044
EOS-3-46644,CCCc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)c(F)cn1,AGEGSAVWXNAUEN-UHFFFAOYSA-N,3,1,0.378,63,5,405.437,2.623,4,0.53,0.79,1.0,0.25082242478240013,0.22837708176273044,0.1386556781577685,0.08504386265506134,0.1757247618394901
EOS-3-46645,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cccc(F)c5)s4)n23)cn1,XFJJLHVCEHVSIN-UHFFFAOYSA-N,3,1,0.411,14,886,415.497,5.148,5,0.398,0.84,1.0,0.29379411966280583,0.4731683914741964,0.6205880337194161,0.6602186279213214,0.5119422931944348
EOS-3-46646,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6C)cc5)n34)cn2)nnc1Cl,RVCQIVUEGZLTPI-UHFFFAOYSA-N,3,1,0.308,25,373,481.911,3.463,6,0.372,0.64,1.0,0.16796312795558907,0.3049396888492907,0.18890925913234186,0.2518590226852169,0.22841777465560964
EOS-3-46647,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5cnc(C)o5)c4)n23)c1,YIHZSSLPERQOTJ-UHFFFAOYSA-N,3,1,0.489,65,419,447.886,4.128,5,0.358,0.6,1.0,0.6010897128366801,0.5413611130148722,0.44362106778150917,0.3890840243986019,0.4937889795079158
EOS-3-46648,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnc2Cl)n(C)n1,OLULWPFNACOHQF-UHFFFAOYSA-N,3,1,0.474,20,658,447.89,2.96,5,0.365,0.53,1.0,0.4623654992803783,0.536777808237955,0.182406963196491,0.17440545541772326,0.33898893153313686
EOS-3-46649,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)s1,HAYPILZAZCLJBD-UHFFFAOYSA-N,3,1,0.581,16,19,411.834,3.53,5,0.432,0.71,1.0,0.7408676581454321,0.613134809128915,0.2852614625454047,0.3061818929477075,0.48636145569186484
EOS-3-46650,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2Cl)ncn1,NZXFICSLEGQTQD-UHFFFAOYSA-N,3,1,0.529,4,675,464.316,4.838,5,0.368,0.64,1.0,0.8579089849907477,0.9254420533205401,0.7640240559248852,0.7972123226646562,0.8361468542252074
EOS-3-46651,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(F)n4)n23)cnc1F,FEHUVTYQKQQMSX-UHFFFAOYSA-N,3,1,0.413,46,665,470.802,3.688,5,0.358,0.57,0.999,0.8831128778013844,0.8392759235144952,0.7432064286203824,0.7617366869988349,0.8068329792337743
EOS-3-46652,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)n1,LNNZPFMSWKSXCV-UHFFFAOYSA-N,3,1,0.55,4,92,423.498,5.003,5,0.398,0.76,1.0,0.6292063600849839,0.7051864162840107,0.5237218148173531,0.535072990199438,0.5982968953464465
EOS-3-46653,OCc1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)ccn2)ccc1F,VPYHPDFGCXUCCK-UHFFFAOYSA-N,3,1,0.462,59,183,464.407,3.737,5,0.382,0.6,1.0,0.9086166129806045,0.8173702967582757,0.9451117126996094,0.9236772668083065,0.898693972311699
EOS-3-46654,FC(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccn2)nc1,PFVBYIIQLOMHAX-UHFFFAOYSA-N,3,1,0.474,58,583,480.866,4.251,5,0.34,0.72,1.0,0.7789305051058872,0.8212082790761428,0.7120313892125283,0.7032674251250771,0.7538593996299089
EOS-3-46655,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cnc(F)cc4Cl)n23)cc(C#N)n1,JNGBELFNTGWFKD-UHFFFAOYSA-N,3,1,0.42,26,624,475.875,3.708,5,0.341,0.64,0.998,0.5585206634226578,0.5646974162154753,0.6558494962648208,0.6282468645055171,0.6018286101021177
EOS-3-46656,OCc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccc2F)cn1,MNYOMXFLWAFBKF-UHFFFAOYSA-N,3,1,0.485,11,639,477.887,3.55,5,0.354,0.69,1.0,0.8690973888013159,0.8587742443972312,0.6291549585360839,0.6402576930984853,0.7493210712082791
EOS-3-46657,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)cn1)N1CC(F)C1,DWHJUGMSEDCNAL-UHFFFAOYSA-N,3,1,0.352,82,204,486.898,3.758,6,0.356,0.81,0.991,0.2508309917072168,0.3151771640052087,0.20978685491056132,0.37615653485025013,0.2879878863683092
EOS-3-46658,Cc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)nc2F)n1,JHPIYVKWFFNFOD-UHFFFAOYSA-N,3,1,0.394,13,971,451.824,4.676,5,0.366,0.6,0.997,0.6954800904667261,0.737569392091015,0.7974350627098896,0.8167963127955589,0.7618202145157974
EOS-3-46659,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)cn2)nc1C,FYEKNMQGKPSKBK-UHFFFAOYSA-N,3,1,0.426,55,283,476.903,4.335,5,0.345,0.7,1.0,0.8225618531971763,0.7851158248235214,0.36274929751216506,0.3470803920224796,0.5793768418888355
EOS-3-46660,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)s2)cn1,AJRISSNFTHKHIW-UHFFFAOYSA-N,3,1,0.415,27,52,475.391,3.232,5,0.353,0.62,0.872,0.48224076485504763,0.5692978548420259,0.6444811870331026,0.5183160852580357,0.553583972997053
EOS-3-46661,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5cccc(-c6ccccn6)c5)n34)c2)nc1,ZGXZQIPBWGFOLT-UHFFFAOYSA-N,3,1,0.5,77,427,475.487,5.028,6,0.334,0.75,1.0,0.8375625385511617,0.6513861284353368,0.7171372764032623,0.6892519361250086,0.7238344698786924
EOS-3-46662,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4OC)n23)nc1C,OAQKNYBKEFXKNI-UHFFFAOYSA-N,3,1,0.38,31,690,461.461,2.895,5,0.36,0.56,0.997,0.37863237612226713,0.2999880063052567,0.0714824206702762,0.04275752175998904,0.19821508121444728
EOS-3-46663,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)n1,LDLLXLWFKZFAKJ-UHFFFAOYSA-N,3,1,0.427,58,531,467.917,4.427,5,0.341,0.65,1.0,0.8067387430607909,0.742212665341649,0.4325440339935577,0.4706668494277294,0.6130405729559317
EOS-3-46664,CCn1c(-c2cn(C)nc2C)nnc1-c1cncc2nnc(-c3ccc(-c4cc(F)ccn4)cn3)n12,DGECWJZSSQPIAN-UHFFFAOYSA-N,3,1,0.295,99,754,481.499,3.375,6,0.368,0.63,0.822,0.07941539305051058,0.14898738948666987,0.04808614899595641,0.07819888972654376,0.08867195531492016
EOS-3-46665,COc1cc(-c2nnc3cncc(OCc4cc(-c5ncnn5C)ncn4)n23)ccn1,XMLDGEVLEIRFFW-UHFFFAOYSA-N,3,1,0.452,7,185,416.405,1.359,5,0.4,0.58,0.996,0.17605030498252347,0.10427660886848057,0.04991947090672332,0.020038037146186006,0.08757110547597835
EOS-3-46666,Cc1cc(C)nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)n1,QRSUFBQZJIERIR-UHFFFAOYSA-N,3,1,0.35,63,306,403.421,2.896,5,0.563,0.85,1.0,0.1543502844219039,0.1854310876567747,0.09002981289836201,0.12746727434720032,0.13931961483106023
EOS-3-46667,Cc1nc(F)cc(COc2cncc3nnc(-c4cc(F)nc(-c5nccn5C)c4)n23)n1,UIWHCXLHZFKBRR-UHFFFAOYSA-N,3,1,0.462,7,486,435.398,2.542,5,0.306,0.61,1.0,0.44628538139949286,0.4015746007813035,0.2525101089712837,0.2080820368720444,0.3271130320060311
EOS-3-46668,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)n1C,WXUNDCXVQBMDAD-UHFFFAOYSA-N,3,1,0.324,30,220,443.514,5.229,6,0.373,0.7,1.0,0.09568398327736276,0.1011582482352135,0.3588256459461312,0.42670139126859025,0.2455923171818244
EOS-3-46669,COc1cc(-c2nc(=N)nc(C)[nH]2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,GBSVUVFIMIMBHQ-UHFFFAOYSA-N,3,1,0.298,82,204,454.454,1.534,5,0.358,0.7,0.965,0.36026488931533135,0.17703550133644028,0.10183503529573025,0.03467891165787129,0.16845358440134328
EOS-3-46670,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(OC(F)F)nc4)n23)c(F)n1,ZFTMVTGFYCNHDX-UHFFFAOYSA-N,3,1,0.468,27,62,468.399,3.301,5,0.335,0.59,0.998,0.7529641559865671,0.6902628332533753,0.6830923171818244,0.5643633061476252,0.672670653142348
EOS-3-46671,CCc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cnoc1,MBGVSVVAQQWTMI-UHFFFAOYSA-N,3,1,0.453,87,367,447.886,4.074,5,0.367,0.57,0.98,0.49974299225549995,0.5413696799396889,0.2962442601603728,0.3277876773353437,0.4162861524227263
EOS-3-46672,CCn1cc(Cc2cncc3nnc(-c4ccc(Cl)nc4-c4ncc(Cl)cn4)n23)c(C)n1,UVGQLJRCLJIUJG-UHFFFAOYSA-N,3,1,0.303,85,260,466.336,4.066,5,0.36,0.61,1.0,0.1733345898156398,0.23844321842231514,0.10973373997669797,0.19906963196490987,0.1801452950448907
EOS-3-46673,c1cc(COc2cncc3nnc(-c4nccnc4-c4nccs4)n23)nc(-c2ccon2)n1,NXHDCCMVEBPYNO-UHFFFAOYSA-N,3,1,0.415,80,114,456.451,2.729,6,0.365,0.6,0.994,0.2151668836954287,0.1644164210814886,0.020492084161469398,0.018119045987252416,0.10454860873140977
EOS-3-46674,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5cc(F)ccn5)c4)n23)c1,JLJVGTGIZRMNOR-UHFFFAOYSA-N,3,1,0.539,88,490,464.863,4.801,5,0.359,0.62,1.0,0.9560088410664108,0.9727486121581796,0.8836354602152011,0.9107326434103215,0.9307813892125282
EOS-3-46675,Cc1cc(F)ccc1-c1nnc2cncc(Oc3ccc(-c4cccnc4)cc3F)n12,QYGUFECHDOHFBI-UHFFFAOYSA-N,3,1,0.448,13,913,415.403,5.232,5,0.402,0.81,1.0,0.8094887259269412,0.8095058597765746,0.9384552121170585,0.9325697347680076,0.8725048831471455
EOS-3-46676,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(C)nn5)nc(COC)n4)n23)cc1F,GQWWYAXQKUKPPM-UHFFFAOYSA-N,3,1,0.306,74,768,486.471,2.054,5,0.378,0.69,0.999,0.25083955863203344,0.22838564868754713,0.09667774655609622,0.06064526077719142,0.15913705366321707
EOS-3-46677,CCc1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1-c1cnc(C)c(F)n1,AWPWTXNSMWNZMR-UHFFFAOYSA-N,3,1,0.495,13,573,463.423,4.724,5,0.372,0.62,0.994,0.652696867932287,0.7143787266122953,0.6502038928106367,0.6254540470152834,0.6606833835926256
EOS-3-46678,Clc1ccc(-c2nnc3cncc(OCc4cn(-c5cc(Cl)ncn5)nn4)n23)cn1,WCTGSZLJZMSXDA-UHFFFAOYSA-N,3,1,0.536,55,185,441.242,2.443,5,0.299,0.62,0.986,0.14031766157220205,0.39651154821465284,0.2132221917620451,0.33106880954012746,0.27028005277225686
EOS-3-46679,CCc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)cn1,GOLVVMPBPCJCMM-UHFFFAOYSA-N,3,1,0.437,1,412,444.445,5.541,5,0.342,0.81,1.0,0.7558854773490508,0.7465989308477828,0.9066719210472209,0.8326622575560277,0.8104546467000205
EOS-3-46680,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)c2)o1,RHGVLQSJAZNGLK-UHFFFAOYSA-N,3,1,0.511,40,2,467.514,4.852,6,0.342,0.73,1.0,0.5927455280652457,0.4469279007607429,0.3963573435679528,0.35031012267836337,0.4465852237680762
EOS-3-46681,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)c2)cn1,NGVDDZWSTSYWAT-UHFFFAOYSA-N,3,1,0.545,11,111,464.863,4.801,5,0.336,0.67,1.0,0.897590980741553,0.9320814200534576,0.9123603591254883,0.9162326091426222,0.9145663422657803
EOS-3-46682,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(C(C)(C)C)cn4)n23)c(F)c1,HUMZUTGMHVOVRN-UHFFFAOYSA-N,3,1,0.472,26,815,458.501,3.997,5,0.393,0.56,1.0,0.4896254540470153,0.5184531560551024,0.5271400178192036,0.2816976218216709,0.45422906243574807
EOS-3-46683,CCn1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnn2)c1,WOBVQRHPYPLZQX-UHFFFAOYSA-N,3,1,0.527,87,778,412.457,3.086,5,0.405,0.67,1.0,0.36027345624014806,0.19880405729559317,0.2345881022548146,0.17441402234253991,0.24201990953327393
EOS-3-46684,c1ccc(-c2csc(COc3cncc4nnc(-c5cccc(-c6cncnc6)c5)n34)n2)nc1,CXVFFVIEDCSUIB-UHFFFAOYSA-N,3,1,0.517,28,667,464.514,4.346,6,0.358,0.64,1.0,0.27445000342676995,0.40615790555822084,0.3217993968884929,0.32154238914399286,0.3309874237543691
EOS-3-46685,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)nc2F)s1,ROCWBFVTPFFQDA-UHFFFAOYSA-N,3,1,0.512,13,573,457.853,4.737,5,0.36,0.69,1.0,0.7408762250702488,0.7235025015420464,0.5994705640463299,0.6865876225070249,0.6876092282914125
EOS-3-46686,Fc1cc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc(-c2nn[nH]n2)n1,UMLJULKPAKATSM-UHFFFAOYSA-N,3,1,0.381,50,243,410.323,2.505,5,0.448,0.67,0.886,0.21801966965937908,0.36833493249263244,0.6057244191624974,0.589618600507162,0.4454244054554177
EOS-3-46687,CCOCc1cc(Cl)nnc1COc1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,HETXMLFXHAPWMX-UHFFFAOYSA-N,3,1,0.423,55,617,474.912,3.807,5,0.331,0.66,1.0,0.4945171681173326,0.532134534987321,0.30350901240490713,0.29971386471112327,0.407468645055171
EOS-3-46688,COc1cc(-c2nnc3cncc(Oc4cnc(C)cn4)n23)ccc1-c1cccnc1,OMYZSKVZXVPBEZ-UHFFFAOYSA-N,3,1,0.402,35,103,411.425,3.753,5,0.431,0.71,1.0,0.4231118497704064,0.21797683503529572,0.4821636625316976,0.3244979782057433,0.36193758138578574
EOS-3-46689,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)cn1,FJMJRCYOPYATIE-UHFFFAOYSA-N,3,1,0.441,65,822,411.429,2.363,5,0.415,0.66,1.0,0.5226509492152697,0.3632804468507984,0.13866424508258515,0.10479919128229731,0.2823487081077376
EOS-3-46690,COc1nc(Oc2ncccn2)ccc1-c1cncc2nnc(-c3nccnc3-c3ccncc3)n12,IOQDISHQGDKCAT-UHFFFAOYSA-N,3,1,0.264,86,723,476.46,3.296,6,0.35,0.63,1.0,0.22069255020217943,0.02654890000685354,0.12388629977383318,0.07436947433349325,0.11137430607908985
EOS-3-46691,Cc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)c(Cl)n4)n23)n1,FYGVOBMSSDXVHS-UHFFFAOYSA-N,3,1,0.436,11,198,442.91,4.832,5,0.35,0.68,0.998,0.692207525186759,0.7188335275169625,0.5134329381125351,0.558100884106641,0.6206437187307243
EOS-3-46692,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4cn(-c5cnc(F)nc5)nn4)n23)s1,QFPAMJDRENYNTR-UHFFFAOYSA-N,3,1,0.315,10,872,474.46,3.539,6,0.357,0.59,1.0,0.0020731958056336096,0.07861866904256049,0.21323075868686175,0.30619045987252413,0.150028270851895
EOS-3-46693,CCCOc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)cn1,OUYUCMRDGJTCFU-UHFFFAOYSA-N,3,1,0.306,82,514,410.441,3.494,5,0.419,0.74,0.999,0.42562195874169007,0.31518573093002533,0.292526214789939,0.21690596943321225,0.31255996847371664
EOS-3-46694,COc1nc(-c2cc(C)n(C)n2)ccc1-c1nnc2cncc(OCCc3ccnc(C)n3)n12,DVCSWBVIONGBOU-UHFFFAOYSA-N,3,1,0.463,31,456,457.498,2.624,5,0.363,0.53,0.992,0.3094201905284079,0.15290247412788704,0.0402645466383387,0.011265506133918168,0.12846317935713797
EOS-3-46695,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)c(F)c5)n34)nc2)nc1,YOTPTHHMLZNMOE-UHFFFAOYSA-N,3,1,0.274,39,449,483.417,4.185,6,0.368,0.71,1.0,0.3464978411349462,0.46877355904324586,0.652928174902337,0.7145157974093619,0.5456788431224727
EOS-3-46696,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5F)n34)cn2)n1,DDOAWITVAXPQFL-UHFFFAOYSA-N,3,1,0.318,32,693,470.468,4.712,6,0.344,0.66,1.0,0.28272565279967105,0.40158316770612024,0.647385374545953,0.6865961894318415,0.5045725961208964
EOS-3-46697,Clc1cc(-c2noc(C3CC3)n2)ccc1-c1nnc2cncc(OCc3ccns3)n12,JFUXSPHZYVGPOQ-UHFFFAOYSA-N,3,1,0.478,16,256,451.899,4.408,6,0.374,0.69,1.0,0.484708039202248,0.5740781988897266,0.055633609759440754,0.180033925022274,0.32361344321842234
EOS-3-46698,COc1ncccc1COc1cncc2nnc(-c3ccc(-c4cnsc4)nc3)n12,HVUDASZCKUMAIN-UHFFFAOYSA-N,3,1,0.442,55,879,417.454,3.292,5,0.415,0.6,1.0,0.4462939483243095,0.3341529024741279,0.2741330272085532,0.17176684257418956,0.30658668014529505
EOS-3-46699,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c(Cl)n2)nc1,AZKRSPFYNPEUDA-UHFFFAOYSA-N,3,1,0.506,73,338,465.304,4.233,5,0.355,0.62,1.0,0.57514906449181,0.7097354533616613,0.4177146871359057,0.4980124734425331,0.5501529196079775
EOS-3-46700,Cn1nccc1CCc1cncc2nnc(-c3ccc(-c4ccccc4)c(Cl)c3)n12,CWMQOLUDVODYLD-UHFFFAOYSA-N,3,1,0.407,14,886,414.9,4.63,5,0.42,0.77,1.0,0.2533839353025838,0.3825988623123843,0.580100747035844,0.6892605030498252,0.4763360119251594
EOS-3-46701,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccn2)ccn1,JMBNEZYJQNGIDD-UHFFFAOYSA-N,3,1,0.511,75,265,465.851,4.196,5,0.347,0.59,1.0,0.8887927489548352,0.8787009115208005,0.851792200671647,0.8600764169693647,0.8698405695291619
EOS-3-46702,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)c2)nc1,DTHAYUYZTZPHNT-UHFFFAOYSA-N,3,1,0.478,18,692,465.851,4.196,5,0.347,0.59,1.0,0.7874288945240216,0.7466074977725995,0.7950877253101227,0.814680282365842,0.7859510999931465
EOS-3-46703,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(C)nc5Cl)n34)nc(C)n2)cn1,ZBPBAORHIOYLHP-UHFFFAOYSA-N,3,1,0.398,31,330,473.928,3.633,5,0.34,0.63,1.0,0.5585292303474745,0.48643855801521485,0.14741107532040298,0.1294976355287506,0.33046912480296076
EOS-3-46704,COc1nc(C)ccc1Oc1cncc2nnc(-c3ccc(-c4cnn(CCO)c4)c(C)c3)n12,LQIMIKNFKJAHCD-UHFFFAOYSA-N,3,1,0.402,15,374,457.494,3.46,5,0.395,0.55,0.999,0.33221677746556094,0.145063737920636,0.3181841546158591,0.15058940442738675,0.2365135186073607
EOS-3-46705,Fc1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)c1,KSAILVNGUCPWLN-UHFFFAOYSA-N,3,1,0.506,73,446,452.812,3.549,5,0.399,0.47,1.0,0.790153176615722,0.9379411966280584,0.6857994654238915,0.7538979507915838,0.791947947364814
EOS-3-46706,Fc1cccc(-c2cnnc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)c2)c1,GSCIWWJPCHDJRX-UHFFFAOYSA-N,3,1,0.398,13,236,438.344,4.597,5,0.302,0.72,1.0,0.6588222191762045,0.7681704475361524,0.9653039544924954,0.9700157631416627,0.8405780960866288
EOS-3-46707,Cc1ncc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6ccnnc6)c(F)c5)n34)c2)nn1,BDHWHXXJHFOEON-UHFFFAOYSA-N,3,1,0.31,3,192,479.454,4.354,6,0.367,0.65,1.0,0.3809111781235008,0.45567473099856076,0.7779967103008704,0.7856983757110547,0.6000702487834967
EOS-3-46708,OCc1cnc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cn1,NPNIUNJVTUHEQE-UHFFFAOYSA-N,3,1,0.398,54,511,466.383,2.527,5,0.376,0.55,0.37,0.6153450757316153,0.5460729216640394,0.7733191693509698,0.7303817421698308,0.6662797272291138
EOS-3-46709,Cc1cc(-c2cccc(-c3nnc4cncc(COc5cc(C)nn5C)n34)c2)ncn1,SUXSXXAZSADADN-UHFFFAOYSA-N,3,1,0.353,14,351,412.457,3.178,5,0.437,0.67,1.0,0.2043297238023439,0.10116681516003015,0.21323932561167844,0.12547118086491674,0.1610517613597423
EOS-3-46710,COc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)cc4F)n23)n1,USIKQVRDZMNPJC-UHFFFAOYSA-N,3,1,0.484,26,563,479.903,4.009,5,0.348,0.67,1.0,0.7378349667603317,0.714387293537112,0.5961722979919128,0.5417123569323555,0.6475267288054279
EOS-3-46711,N=c1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C(F)F)n5)n34)ccc2F)n[nH]1,GKMAPGLXLKQWLW-UHFFFAOYSA-N,3,1,0.455,27,911,466.387,2.502,5,0.389,0.58,0.968,0.6954886573915428,0.680445137413474,0.47501028030978,0.38257316153793436,0.5583793091631828
EOS-3-46712,c1cc(COc2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)cc(-c2cnnnc2)c1,KQFNYNULGSEYST-UHFFFAOYSA-N,3,1,0.512,77,190,463.526,4.951,6,0.345,0.72,1.0,0.6496641765471867,0.5740867658145432,0.7045010622986773,0.6777465560962237,0.6514996401891577
EOS-3-46714,Fc1ncccc1-c1cc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)ncn1,WVTKIQLSQDDCBL-UHFFFAOYSA-N,3,1,0.473,7,434,435.81,2.805,5,0.303,0.64,1.0,0.6208022068398328,0.7593722157494346,0.4286375162771571,0.43303234870810775,0.560461071893633
EOS-3-46715,CCOc1nc(-c2cncn2CC)ccc1-c1nnc2cncc(OCCc3ccnc(C)n3)n12,NHTMDXNLPOEGJL-UHFFFAOYSA-N,3,1,0.422,31,456,471.525,3.188,5,0.319,0.62,0.995,0.32186793228702626,0.09491296004386265,0.04646700020560619,0.016362826399835516,0.11990267973408264
EOS-3-46716,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ccn4)n23)sn1,PIYMJHVDAPAVMR-UHFFFAOYSA-N,3,1,0.477,46,160,419.445,3.731,5,0.401,0.62,1.0,0.47477897333972996,0.42905729559317385,0.3890497566993352,0.37616510177506685,0.41726278185182647
EOS-3-46717,CCOc1nc(-c2cnc(C)nn2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC)c(F)c3)n12,SPRMYKWXIGWJBQ-UHFFFAOYSA-N,3,1,0.327,74,768,485.483,2.911,5,0.385,0.68,1.0,0.35316290864231376,0.33416146939894453,0.18567096155164142,0.10480775820711398,0.24445077445000343
EOS-3-46718,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccn(CCc5ccc(Cl)cn5)n4)n23)cc1,IBRGSFNWUNDJEV-UHFFFAOYSA-N,3,1,0.299,98,866,483.927,3.136,6,0.354,0.7,1.0,0.23740662051949832,0.2587125625385512,0.10974230690151464,0.17177540949900624,0.1944092248646426
EOS-3-46719,Cc1cc(-c2nc(Cl)cn2C)ccc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,FWTXYPBENOAPRX-UHFFFAOYSA-N,3,1,0.55,13,15,451.317,5.599,5,0.356,0.83,1.0,0.722945651428963,0.8495048317455967,0.8157425810431088,0.8366030429716949,0.8061990267973409
EOS-3-46720,Fc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCCc4ccccc4F)n23)c1,WBDDMSLJRSZBOJ-UHFFFAOYSA-N,3,1,0.77,88,222,434.471,5.42,5,0.358,0.74,1.0,0.7874374614488383,0.8016928243437735,0.9263587142759235,0.9325783016928243,0.8620168254403399
EOS-3-46721,OCc1cc(Cl)nc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)cnn2)n1,YIPAOWKNAWNVDY-UHFFFAOYSA-N,3,1,0.387,65,65,462.861,1.595,5,0.351,0.54,1.0,0.4997515591803166,0.5321431019121377,0.04809471592077308,0.06521143170447537,0.28630020217942564
EOS-3-46722,Cc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1F,CJMZXVNONHPOKS-UHFFFAOYSA-N,3,1,0.581,11,595,460.9,4.971,5,0.333,0.7,1.0,0.9634534987320952,0.9592385717222945,0.8120416695223083,0.8058991844287574,0.8851582311013638
EOS-3-46723,COc1nc(-c2cc(C)c(Cl)nn2)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,GTOFGRACISSLHO-UHFFFAOYSA-N,3,1,0.588,19,309,473.924,4.235,5,0.346,0.65,0.114,0.7075680213830443,0.6462288396957029,0.31819272154067574,0.287446028373655,0.4898589027482695
EOS-3-46724,CCn1cnc(-c2ccc(F)c(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)c1,ZTHGRALLUSWIRJ-UHFFFAOYSA-N,3,1,0.544,26,669,463.904,4.484,5,0.331,0.68,1.0,0.6983757110547598,0.7327804811184977,0.6914022342539922,0.6688969227606059,0.6978638372969639
EOS-3-46725,Cc1cnc(-c2nn(C)cc2-c2cncc3nnc(-c4ccnnc4-c4cccc(F)n4)n23)nn1,ILRWMHCMYLWQHM-UHFFFAOYSA-N,3,1,0.266,99,719,466.444,2.343,6,0.356,0.51,0.998,0.10790898499074772,0.172606401206223,0.051701391268590226,0.07820745665136043,0.10260605852923034
EOS-3-46726,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6ccccn6)c5)n34)cn2)n1,DGVPPFQYOMQBBC-UHFFFAOYSA-N,3,1,0.442,6,297,473.5,3.988,6,0.354,0.59,1.0,0.6041138372969639,0.38260742923720104,0.37798985676101704,0.30939448975395795,0.41852640326228496
EOS-3-46727,Fc1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)c2)s1,FVAZYMWPXQWBHB-UHFFFAOYSA-N,3,1,0.542,41,190,471.477,4.683,6,0.345,0.71,1.0,0.832499485984511,0.6610753204029881,0.6145740524981153,0.5513587142759235,0.6648768932903846
EOS-3-46728,Cn1cc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)c(F)c5)n34)c2)cn1,JYMCZZSSJVESQM-UHFFFAOYSA-N,3,1,0.279,64,27,466.455,4.594,6,0.378,0.6,1.0,0.18475430059625797,0.20815057227057776,0.7756236721266534,0.8015129189226236,0.4925103659790282
EOS-3-46729,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)c(Cl)n4)n23)c1,QGSKYWZCLMAGCI-UHFFFAOYSA-N,3,1,0.468,11,814,464.316,4.572,5,0.34,0.64,1.0,0.8067473099856076,0.7807466931670207,0.6235350558563498,0.7223116989925297,0.7333351895003769
EOS-3-46730,OCc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)c2)n1,IOYKKVQKBOJJAZ-UHFFFAOYSA-N,3,1,0.543,11,684,476.899,4.155,5,0.352,0.69,1.0,0.9054382838736207,0.8990045233363032,0.8055479405112741,0.7926718525118224,0.8506656500582551
EOS-3-46731,FC(F)(F)c1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nc1,MJDQQWBWJLMUBT-UHFFFAOYSA-N,3,1,0.506,18,529,468.464,4.95,5,0.351,0.69,1.0,0.6496727434720033,0.6853282845589748,0.9398002193132753,0.8840209718319512,0.7897055547940512
EOS-3-46732,CCOc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCc3ccnc(C)n3)n12,ZPXXRGHECZOIEO-UHFFFAOYSA-N,3,1,0.418,4,710,458.457,3.464,5,0.338,0.59,0.991,0.5431344664519224,0.5184617229799191,0.27013227331916934,0.1717839764238229,0.37587810979370845
EOS-3-46733,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)ccc2F)no1,CDPLTXZMMCJMPX-UHFFFAOYSA-N,3,1,0.511,73,10,472.267,4.57,5,0.367,0.73,1.0,0.6713127955589062,0.8357377835652114,0.5237303817421698,0.6517373723528203,0.670629583304777
EOS-3-46734,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)cc1,LNNYPMYGRSIOCZ-UHFFFAOYSA-N,3,1,0.362,8,973,408.385,2.484,6,0.432,0.78,1.0,0.08368172160921115,0.0602254814611747,0.07581728462751011,0.11394866698649853,0.08341828867109863
EOS-3-46735,Cn1cc(-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(OC(F)(F)F)n1,UIMNKBXNOMWWGS-UHFFFAOYSA-N,3,1,0.368,66,542,410.306,4.028,4,0.475,0.75,1.0,0.479833458981564,0.5367863751627716,0.9905335480775821,0.97503598108423,0.745547340826537
EOS-3-46736,Cn1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)c1,FLGKYUUPYBJITL-UHFFFAOYSA-N,3,1,0.484,65,227,416.42,2.742,5,0.393,0.62,1.0,0.6467942567336029,0.5321516688369543,0.47501884723459664,0.40122335686382016,0.5137970324172435
EOS-3-46737,Cc1cnc(Cl)c(COc2cncc3nnc(-c4ccnc(-c5cc(CF)ccn5)c4)n23)c1,AZOFEDZYBWPHCZ-UHFFFAOYSA-N,3,1,0.446,24,912,461.888,4.654,5,0.34,0.68,1.0,0.8041772325406072,0.7235110684668631,0.7094184771434446,0.6689054896854225,0.7265030669590844
EOS-3-46738,COc1ccc(-c2nnc3cncc(Cc4ccc(Cl)nc4)n23)cc1-c1ccc(F)c(F)c1,HOCHNCNHFRHZPF-UHFFFAOYSA-N,3,1,0.42,14,358,463.875,5.384,5,0.327,0.77,1.0,0.6834349941744912,0.7593807826742512,0.965312521417312,0.9598039887601947,0.8419830717565623
EOS-3-46739,N#Cc1cccc(-c2cnnc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,XCOCTFUCDWXJMS-UHFFFAOYSA-N,3,1,0.385,3,574,409.84,4.44,5,0.437,0.8,0.999,0.3042629017887739,0.6366253169762183,0.8848690973888013,0.9288259886231238,0.6886458261942293
EOS-3-46740,CC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)cn1,CYGWGKUHFVHACN-UHFFFAOYSA-N,3,1,0.324,52,376,479.519,4.679,6,0.372,0.72,0.993,0.13780755260091837,0.1896460146665753,0.12389486669864985,0.28745459529847167,0.1847007573161538
EOS-3-46741,CC(C)n1ncnc1-c1cccc(-c2nnc3cncc(Oc4cc(Cl)ccc4F)n23)c1,FRJPHNPAFWZVTB-UHFFFAOYSA-N,3,1,0.5,13,374,449.877,5.216,5,0.366,0.73,1.0,0.4997601261051333,0.6034027825371805,0.6721266534164896,0.6545130559934206,0.607450654513056
EOS-3-46742,Cn1cncc1-c1cnc(-c2cncc3nnc(-c4cccnc4-c4cccc(Cl)c4)n23)cn1,WUTOUOBTQNODAM-UHFFFAOYSA-N,3,1,0.375,32,443,465.908,4.364,6,0.381,0.58,1.0,0.20989822493317797,0.26907854156671923,0.46128606675347816,0.5450106229867727,0.37131836406003704
EOS-3-46743,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)cc1,UVICLBRQMQWTHY-UHFFFAOYSA-N,3,1,0.506,57,417,431.858,5.747,5,0.362,0.85,1.0,0.8868737577959016,0.9572681790144609,0.9344373243780413,0.9360222054691248,0.9286503666643822
EOS-3-46744,COc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)cc1-c1ncc(C)cn1,NKMPJJVLZFFSSO-UHFFFAOYSA-N,3,1,0.563,59,521,476.899,4.937,5,0.343,0.75,1.0,0.9292714687135906,0.8837982317867178,0.8210626413542594,0.7564680282365842,0.847650092522788
EOS-3-46745,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccs6)n5)n34)cc2)cc1,DVNNZNQYQQDWHE-UHFFFAOYSA-N,3,1,0.326,93,186,447.527,5.347,6,0.362,0.72,1.0,0.15163456925502022,0.25872112946336784,0.509826262764718,0.5612106778150915,0.3703481598245494
EOS-3-46746,CCCn1c(-c2nc(Cc3cncc4nnc(-c5ccc(C(=O)NC)cc5)n34)ccc2F)cnc1C,NLXINWIXSDNPQJ-UHFFFAOYSA-N,3,1,0.389,52,916,484.539,3.858,5,0.376,0.7,1.0,0.240019532588582,0.18965458159139195,0.12652491261736687,0.085052429579878,0.1603128640943047
EOS-3-46747,Cc1c(F)cnc(Cl)c1CCOc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,LGKPWOUMDVSQGJ-UHFFFAOYSA-N,3,1,0.54,35,300,461.888,4.366,5,0.347,0.6,1.0,0.9158984990747722,0.8461208964430128,0.5801093139606607,0.5927540949900624,0.733720701117127
EOS-3-46748,CCc1nc(-c2nnc3cncc(OCCc4ccnc(C)c4)n23)ccc1-c1nc(C)no1,CKMPYBMNVXIAPE-UHFFFAOYSA-N,3,1,0.444,31,690,442.483,3.432,5,0.373,0.57,1.0,0.2613768761565349,0.13773901720238504,0.051709958193406895,0.029573024467137277,0.12009971900486603
EOS-3-46749,Cc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5cc(C)nn5C)c4)n23)c(F)c(C)n1,DMJXMUPVFZPFQZ-UHFFFAOYSA-N,3,1,0.472,4,677,461.476,4.369,5,0.387,0.57,1.0,0.49452573504214925,0.4109639503803715,0.6751507778767734,0.5417209238571722,0.5305903467891165
EOS-3-46750,Cn1[nH]cc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)cn5)n34)cn2)c1=O,CVAGPQOBOSAALM-UHFFFAOYSA-N,3,1,0.36,52,229,483.492,1.414,6,0.405,0.67,0.892,0.023276334726886436,0.0035124391748338015,0.004206360084983894,0.0073589884175176475,0.009588530601055445
EOS-3-46751,Cn1nc(-c2cccs2)nc1-c1cncc2nnc(-c3ccc(Cl)cc3F)n12,AJFLIJWIIALUPX-UHFFFAOYSA-N,3,1,0.391,22,844,411.853,4.108,5,0.446,0.69,0.978,0.1571773696114043,0.45994105955726133,0.3035175793297238,0.5115482146528683,0.35804605578781445
EOS-3-46752,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4Cl)n23)c(F)c1,IHLYSQJDEIWTBE-UHFFFAOYSA-N,3,1,0.329,64,27,484.886,3.898,6,0.37,0.71,1.0,0.20714824206702762,0.3586885751490645,0.35883421287094786,0.5450191899115894,0.36742255499965737
EOS-3-46753,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc(C)n2)ccn1,AJUUOKXLBLRXPB-UHFFFAOYSA-N,3,1,0.516,87,661,457.925,4.535,5,0.369,0.58,1.0,0.7259183743403468,0.709744020286478,0.5171338496333356,0.4795935850866973,0.6080974573367144
EOS-3-46754,Cc1cc(-c2nnc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c(C)c2C)ccn1,AFZXOEVDLFPQPC-UHFFFAOYSA-N,3,1,0.356,85,290,458.476,4.492,5,0.383,0.58,0.96,0.31468028236584195,0.28455897471043795,0.4612946336782948,0.3696713727640326,0.35755131587965183
EOS-3-46755,Fc1cc(-c2nnc3cncc(OCc4ncn(-c5ccco5)n4)n23)ccc1Cl,LUZJGJKDKRXITN-UHFFFAOYSA-N,3,1,0.512,73,975,411.784,3.337,5,0.437,0.72,1.0,0.519806730176136,0.6462374066205195,0.4992461106161332,0.5770766225755602,0.5605917174970872
EOS-3-46756,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1ccncc1,DQGPBXPFJNNPED-UHFFFAOYSA-N,3,1,0.385,46,717,461.888,4.577,5,0.342,0.66,0.995,0.6349976012610513,0.6267562195874169,0.6587879514769378,0.6517459392776369,0.6430719279007607
EOS-3-46757,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)cnc1Cl,JHDSLBAXHIOGAH-UHFFFAOYSA-N,3,1,0.494,11,503,463.328,5.177,5,0.323,0.76,1.0,0.7818860941676375,0.7636299773833185,0.7802926461517373,0.8480227537523131,0.7934578678637516
EOS-3-46758,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,WHYYKDPJFDCORT-UHFFFAOYSA-N,3,1,0.531,24,912,456.865,4.82,5,0.353,0.7,1.0,0.8556130491398808,0.8251147967925434,0.857720512644781,0.8680607908984991,0.851627287368926
EOS-3-46759,COCn1cnc(CCOc2cncc3nnc(-c4cncc(-c5nccn5C)c4)n23)c1Cl,RMGNVXPDMBQNNF-UHFFFAOYSA-N,3,1,0.424,65,184,465.905,2.662,5,0.344,0.59,1.0,0.30942875745322457,0.22839421561236378,0.12133335617846618,0.12323521348776643,0.19559788568295525
EOS-3-46760,Fc1ccc(F)c2c(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)ccnc12,HILYTMCFZYFHEA-UHFFFAOYSA-N,3,1,0.549,27,679,458.35,4.611,5,0.366,0.62,1.0,0.9544410938249606,0.952290795695977,0.9878435336851484,0.9722774312932629,0.9667132136248372
EOS-3-46761,COc1ccccc1Oc1cncc2nnc(-c3cc(-c4cnc(C)cn4)n(C)n3)n12,KOYMLVLWQVMNBV-UHFFFAOYSA-N,3,1,0.402,95,956,414.429,3.091,5,0.432,0.68,1.0,0.24002809951339868,0.04886573915427318,0.1631399492838051,0.08868480570214515,0.13517964841340552
EOS-3-46762,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ccn2)n1,AUOSCJZKNHRWCM-UHFFFAOYSA-N,3,1,0.471,24,662,412.457,3.178,5,0.437,0.68,1.0,0.24533102597491604,0.1377475841272017,0.1728719758755397,0.10066136659584675,0.16415298814337606
EOS-3-46763,Cc1cccc(CCOc2cncc3nnc(-c4cc(Cl)c(-c5cncn5C)s4)n23)n1,AEMMHDSRUOVABR-UHFFFAOYSA-N,3,1,0.402,31,477,451.943,4.232,5,0.384,0.59,0.999,0.4008207113974368,0.27928174902337055,0.2345966691796313,0.24322356247001575,0.2894806730176136
EOS-3-46764,Fc1ccc(COc2cncc3nnc(-c4c(F)ccc(-n5cccn5)c4F)n23)cn1,IEJZQNYJRPLIJC-UHFFFAOYSA-N,3,1,0.506,59,772,423.358,3.368,5,0.403,0.53,1.0,0.45785929682681104,0.4777345624014804,0.8354979096703448,0.8207113974367761,0.647950791583853
EOS-3-46765,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(C(F)F)n5)ccc4F)n23)cn1,FBNLFWADWWETHZ-UHFFFAOYSA-N,3,1,0.464,1,92,462.435,5.212,5,0.345,0.74,1.0,0.8793776985813172,0.9081454321156878,0.9405284079226921,0.8949780686724693,0.9057574018230417
EOS-3-46766,OCc1nc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3ncccc3F)n12,OLPRFEXXZARVRV-UHFFFAOYSA-N,3,1,0.441,58,699,433.407,1.619,5,0.392,0.54,0.997,0.6069237886368309,0.5604225207319581,0.11541361113014872,0.1254797477897334,0.35205991707216777
EOS-3-46767,CCCn1nc(C)nc1-c1cc(OC)c(-c2cncc3nnc(-c4ccc(C(=O)NC)cn4)n23)cn1,IGPQGLQWWHDSGN-UHFFFAOYSA-N,3,1,0.267,33,432,484.524,2.593,5,0.369,0.68,0.933,0.06936639024055925,0.02911897745185388,0.01204509629223494,0.0030326913851004044,0.028390788842437117
EOS-3-46768,Cc1nc(-c2cc(Cl)ccc2-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)n(C)n1,XETMVNWAKYUNMF-UHFFFAOYSA-N,3,1,0.5,51,795,482.335,3.614,5,0.361,0.67,1.0,0.6265848810910836,0.6513946953601535,0.11830066479336578,0.21424165581522855,0.40263047426495785
EOS-3-46769,CCn1cc(Cc2cncc3nnc(-c4ccc(-c5cncn5C)c(F)c4)n23)c(C)n1,LIOOXRKYQLTOFN-UHFFFAOYSA-N,3,1,0.343,85,60,416.464,3.447,5,0.439,0.61,1.0,0.14891028716331986,0.22840278253718047,0.3070214515797409,0.2697724624768693,0.23852674593927764
EOS-3-46770,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5Cl)n34)nc2)n1,WIVMKFUFDGHIPD-UHFFFAOYSA-N,3,1,0.291,39,972,485.874,3.293,6,0.369,0.7,0.989,0.2014598039887602,0.32945822767459393,0.22725481461174696,0.36657871290521554,0.2811878897950792
EOS-3-46771,CCc1cc(-c2nnc3cncc(-c4scnc4-c4cccnn4)n23)ccc1Cl,MNNXEMBFBONECW-UHFFFAOYSA-N,3,1,0.337,96,216,419.901,4.588,5,0.423,0.63,1.0,0.1905198409978754,0.4015917346309369,0.4035364265643205,0.5014563772188335,0.3742760948529915
EOS-3-46772,CCn1nnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2C)n1,QLNRJQKJYKRXOC-UHFFFAOYSA-N,3,1,0.412,31,569,451.882,1.868,5,0.34,0.55,1.0,0.237415187444315,0.1726149681310397,0.009389349599067918,0.014649441436501954,0.10851723665273114
EOS-3-46773,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)cnn2)nn1,AGKFDXCERNKEHW-UHFFFAOYSA-N,3,1,0.484,53,778,451.372,2.472,5,0.359,0.51,0.773,0.7408847919950654,0.7765831677061202,0.5474436296347063,0.5480347474470564,0.653236584195737
EOS-3-46774,Fc1ccc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)nn1,KMSNWCPCWYKECA-UHFFFAOYSA-N,3,1,0.489,58,132,454.878,3.514,5,0.359,0.53,0.882,0.6742598176958399,0.7636385443081352,0.29253478171475567,0.3633575491741485,0.5234476732232197
EOS-3-46775,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncccn5)c4)n23)c1,MTGUHRMWDCSJRE-UHFFFAOYSA-N,3,1,0.505,40,247,479.479,3.762,6,0.355,0.64,1.0,0.5781132204783771,0.4511085600712768,0.5336765814543212,0.4917586183263656,0.5136642450825852
EOS-3-46776,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6nccnn6)ncn5)n34)cn2)c1,HLUKLGDFGITEEW-UHFFFAOYSA-N,3,1,0.404,80,816,464.453,1.808,6,0.355,0.51,1.0,0.3965458159139195,0.3204543896922761,0.07807895277911041,0.057638270166541015,0.21317935713796174
EOS-3-46777,Cn1cncc1-c1nc(CCOc2cncc3nnc(-c4ccc(C(C)(C)O)cc4)n23)ccc1F,DLMJKPPCTZGYCS-UHFFFAOYSA-N,3,1,0.522,26,563,473.512,3.575,5,0.385,0.6,0.999,0.7789390720307039,0.6267647865122336,0.7224659036392297,0.5214858474402029,0.6624139024055926
EOS-3-46778,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccnc(C)n1,QAPOPSAHLIBUSN-UHFFFAOYSA-N,3,1,0.424,18,690,472.94,4.184,5,0.347,0.63,0.754,0.6208107737646494,0.6267733534370502,0.22726338153656364,0.22255157288739635,0.4243497704064149
EOS-3-46779,Cc1ccc(-c2cnnc(-c3nnc4cncc(CCc5ccc(F)cc5)n34)c2)nc1,JRKOKLKZFVMOTO-UHFFFAOYSA-N,3,1,0.34,14,886,411.444,3.876,5,0.437,0.7,0.886,0.27202556370365294,0.28982763347268864,0.5134415050373518,0.5513672812007402,0.4066654958536084
EOS-3-46780,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)s5)n34)ncn2)cn1,SEKDSWDAXIMWEH-UHFFFAOYSA-N,3,1,0.378,51,113,467.902,2.874,5,0.352,0.57,0.871,0.4392176684257419,0.35869714207388115,0.10704372558426427,0.09862243848947981,0.25089524364334176
EOS-3-46781,Cc1cc(F)cc(-c2ncncc2-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)n1,SBXXVWNKAMTPPQ-UHFFFAOYSA-N,3,1,0.522,27,69,482.401,4.084,5,0.345,0.73,0.993,0.7529727229113837,0.7508138578575835,0.9066804879720376,0.795027756836406,0.8013737063943527
EOS-3-46782,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cc(C)nc(Cl)n5)n34)ccn2)c1,NJBQZUJHBUNXNA-UHFFFAOYSA-N,3,1,0.474,75,496,458.913,3.93,5,0.352,0.59,1.0,0.6408745116852854,0.6462459735453362,0.3035261462545405,0.27257384689191966,0.46580511959427046
EOS-3-46783,CCc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)c2)s1,SEOYVAATFIMJSQ-UHFFFAOYSA-N,3,1,0.467,97,655,450.474,4.729,5,0.348,0.7,1.0,0.6805051058871907,0.5942704406826126,0.6176153108080323,0.5835874854362278,0.6189945857035158
EOS-3-46784,Clc1ccnc(COc2cncc3nnc(-c4cncc(-c5cnc(Cl)s5)c4)n23)c1,XEZFVGAJKKHVDR-UHFFFAOYSA-N,3,1,0.542,2,419,456.318,4.591,5,0.382,0.63,1.0,0.43922623535055855,0.5552223973682407,0.6235436227811665,0.692233225961209,0.5775563703652937
EOS-3-46785,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)cc1,AQOQCALFYHRXOE-UHFFFAOYSA-N,3,1,0.342,76,653,458.507,4.634,6,0.38,0.62,0.807,0.1433075183332191,0.29507059146048936,0.39636591049276954,0.5049688163936673,0.3349282091700363
EOS-3-46786,Fc1cccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)c5)n4)n23)c1F,DHONPSHJPYZNDH-UHFFFAOYSA-N,3,1,0.329,22,681,409.787,3.971,5,0.451,0.74,1.0,0.056601672263724215,0.3536597902816805,0.8055565074360908,0.897745185388253,0.5283907888424371
EOS-3-46787,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5F)n34)cn2)nc(C)n1,PQNLFMDZJPLHGC-UHFFFAOYSA-N,3,1,0.446,13,573,465.851,4.984,5,0.345,0.71,1.0,0.8041857994654239,0.8812281543417175,0.8157511479679255,0.7811750394078542,0.8205850352957302
EOS-3-46788,COc1ncncc1COc1cncc2nnc(-c3cnnc(-c4ccc(F)c(C)c4)c3)n12,KFHUYYPZUIGWLY-UHFFFAOYSA-N,3,1,0.423,16,772,444.43,3.073,5,0.39,0.47,1.0,0.6208193406894661,0.5552309642930574,0.47184908505242956,0.35996504694674797,0.5019661092454253
EOS-3-46789,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccnn5)cn4)n23)c(F)n1,LPQGXZACTLXMCW-UHFFFAOYSA-N,3,1,0.506,92,185,415.392,2.46,5,0.399,0.64,1.0,0.6236292920293331,0.6514032622849701,0.24169864985264888,0.2051864162840107,0.43047940511274074
EOS-3-46790,COCc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)s2)c[nH]1,OKNBVLGPZCHUPG-UHFFFAOYSA-N,3,1,0.272,38,154,454.519,4.446,6,0.385,0.61,1.0,0.3245236789801933,0.22841134946199712,0.5171424165581523,0.4488040572955932,0.37972037557398397
EOS-3-46791,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)nc6)n5C)n34)nc2)n1C,YEFYASOKFBIUFQ-UHFFFAOYSA-N,3,1,0.278,99,754,483.927,3.406,6,0.35,0.71,0.729,0.10566445068878076,0.23316599273524777,0.09444177917894593,0.13179357137961759,0.141266448495648
EOS-3-46792,COc1ncc(Cc2cncc3nnc(-c4cc(Cl)c(F)c(-c5ncc(F)cn5)c4)n23)cn1,KOZUFRUPVOUOON-UHFFFAOYSA-N,3,1,0.343,73,260,466.839,3.569,5,0.387,0.51,1.0,0.6095538345555479,0.5846412171886779,0.5961808649167295,0.5865773421972449,0.59423831471455
EOS-3-46793,CC(=O)c1cc(-c2cncc3nnc(-c4ccc(-c5ccc(C)nn5)nc4)n23)ccn1,JFIJGNHMMACRTA-UHFFFAOYSA-N,3,1,0.314,82,336,408.425,3.216,5,0.417,0.8,0.999,0.17334315674045644,0.07862723596737715,0.1760160372832568,0.11857480638749915,0.1366403090946474
EOS-3-46794,Cn1cc(-c2cccc(COc3cncc4nnc(-c5nc(-c6nncn6C)ccc5F)n34)c2)nn1,MQTPKPBTJHQWKO-UHFFFAOYSA-N,3,1,0.396,71,502,483.471,2.495,6,0.351,0.68,1.0,0.4094904393119046,0.3826159961620177,0.1353488451785347,0.1430676444383524,0.2676307312727023
EOS-3-46795,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5c(C)noc5C)cc4)n23)cn1,IPPYFPYNKVTCEZ-UHFFFAOYSA-N,3,1,0.571,89,205,412.453,4.346,5,0.424,0.83,1.0,0.39220238503186894,0.2587296963881845,0.4471763415804263,0.30619902679734085,0.3510768624494552
EOS-3-46796,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ncn2)c1,WUDWISUJTXCOFB-UHFFFAOYSA-N,3,1,0.446,44,488,452.371,4.384,5,0.291,0.72,0.978,0.8198204372558426,0.8017013912685902,0.9619885545884449,0.9609005551367281,0.8861027345624015
EOS-3-46797,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5nnc(C)cc5C)n34)cn2)nn1,ZPAINLURLJEEPY-UHFFFAOYSA-N,3,1,0.278,85,60,410.445,2.344,5,0.439,0.65,0.999,0.11331471455006512,0.03511582482352135,0.021288808169419506,0.01637139332465218,0.046522685216914536
EOS-3-46798,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)c(F)c1,OYXFTDNCWZMKNV-UHFFFAOYSA-N,3,1,0.38,0,901,492.461,3.581,6,0.46,0.81,1.0,0.39655438283873623,0.45111712699609346,0.31063669385237475,0.4706754163525461,0.4072459050099377
EOS-3-46799,Cn1nc(-c2nnc3ccccn23)cc1Oc1cncc2nnc(-c3ccc(Cl)c(Cl)c3)n12,NITHSANONDZFOO-UHFFFAOYSA-N,3,1,0.473,34,706,478.303,4.334,6,0.372,0.7,1.0,0.5781217874031938,0.7143958604619286,0.42864608320197384,0.5865859091220615,0.5769374100472895
EOS-3-46800,Fc1ccc(-c2nnc3cncc(CCc4ncc(-c5cccc(F)n5)cn4)n23)cc1,UXMYKBVBBQOHEI-UHFFFAOYSA-N,3,1,0.408,14,81,415.407,3.707,5,0.407,0.61,1.0,0.49213556301829897,0.6804537043382908,0.5271485847440203,0.619996915907066,0.5799336920019189
EOS-3-46801,Clc1cc(-c2ccco2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,PMLKLVOJSRDJCU-UHFFFAOYSA-N,3,1,0.323,32,327,451.877,5.224,6,0.362,0.69,1.0,0.26138544308135153,0.30494825577410734,0.7432149955451991,0.7834110067850044,0.5232399252964155
EOS-3-46802,CCn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)c2)cn1,SXKNBMJJQJHKON-UHFFFAOYSA-N,3,1,0.722,91,781,462.916,5.089,5,0.337,0.74,1.0,0.5867486806935782,0.6131433760537317,0.8321311082173943,0.8187410047289425,0.7126910424234116
EOS-3-46803,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccoc5)o4)n23)cc1,HDJFRMMNPTWLOL-UHFFFAOYSA-N,3,1,0.329,98,882,411.385,2.897,6,0.43,0.69,1.0,0.08158282502912755,0.03804571311082174,0.10456788431224727,0.1139572339113152,0.08453841409087794
EOS-3-46804,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)nc1,NOPSODKAJIDVSX-UHFFFAOYSA-N,3,1,0.444,2,422,451.824,4.154,5,0.371,0.56,1.0,0.8514923583030636,0.8357463504900281,0.8785895414981838,0.8855373175245014,0.8628413919539442
EOS-3-46805,CCc1nc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1-c1ncon1,XGIBGWVXQFSZSU-UHFFFAOYSA-N,3,1,0.396,46,717,436.382,3.051,5,0.37,0.52,0.877,0.6041224042217805,0.47774312932629703,0.27414159413336986,0.27258241381673637,0.4071473853745459
EOS-3-46806,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1-c1ccccn1,FUVHYHMBJZAERQ-UHFFFAOYSA-N,3,1,0.543,11,275,462.435,4.947,5,0.341,0.68,0.98,0.9615859091220615,0.9709495579466795,0.8785981084230005,0.8532828455897471,0.9161041052703722
EOS-3-46807,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)nc1F,DNHGNAMRADEPJZ-UHFFFAOYSA-N,3,1,0.474,44,814,465.851,4.196,5,0.347,0.59,0.985,0.8579175519155644,0.8461294633678295,0.669410938249606,0.7276060585292303,0.7752660030155576
EOS-3-46809,CCOCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)[nH]n2)cn1,DPAVCNAFPVOFIC-UHFFFAOYSA-N,3,1,0.379,16,963,462.901,3.74,5,0.347,0.58,1.0,0.33222534439037765,0.3294667945994106,0.4684051812761291,0.41072407648550474,0.38520534918785554
EOS-3-46810,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cc(Cl)ccc5F)c4)n23)cn1,GSRJQYBFRQYTEL-UHFFFAOYSA-N,3,1,0.315,10,314,484.886,3.898,6,0.37,0.69,0.852,0.23162394626824756,0.35366835720649714,0.517150983482969,0.607849016517031,0.4275730758686862
EOS-3-46811,Fc1c(CCOc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)ccnc1Cl,USJFOBPRSACDQA-UHFFFAOYSA-N,3,1,0.483,18,840,452.902,4.724,5,0.347,0.65,1.0,0.6681001987526557,0.6610838873278048,0.7277259954766637,0.7617452539236516,0.7046638338701938
EOS-3-46812,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cc1,GFTNRPADJNLQJM-UHFFFAOYSA-N,3,1,0.538,51,943,407.397,2.489,5,0.431,0.78,1.0,0.8300065108628607,0.7636471112329518,0.47859125488314713,0.4330409156329244,0.626321448152971
EOS-3-46813,CCc1nc(-c2nnc3cncc(OCc4sccc4OC)n23)ccc1-c1nc(C)n[nH]1,BDCMQYAHHNNQQI-UHFFFAOYSA-N,3,1,0.352,31,690,448.512,3.491,5,0.402,0.56,0.551,0.22342539921869645,0.18126756219587417,0.04992803783153999,0.02004660407100267,0.11866690082927832
EOS-3-46814,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)c(F)c1,YMYQFNGZGVHOSS-UHFFFAOYSA-N,3,1,0.314,25,219,484.886,3.898,6,0.346,0.76,1.0,0.2453395928997327,0.42014769378383937,0.520269344116236,0.6168528544993489,0.4506523713247892
EOS-3-46815,Cc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccnn5C)c4)n23)n1,ICMPPIZYXVPIRM-UHFFFAOYSA-N,3,1,0.478,20,359,413.445,2.307,5,0.417,0.64,1.0,0.3322339113151943,0.1305856349804674,0.087476869302995,0.057646837091357685,0.1519858131725036
EOS-3-46816,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnn(C)c6)cc5)n34)cc2)cc1,XIYFWOHUZCSLNT-UHFFFAOYSA-N,3,1,0.464,21,958,458.525,5.534,6,0.34,0.79,1.0,0.18476286752107463,0.13408950723048454,0.865019532588582,0.8015214858474402,0.49634834829689534
EOS-3-46817,Cc1ccc(-c2nnc3cncc(Cc4cncc(-c5c(C)nn(C)c5C)c4)n23)cn1,LYDKWMSDFODFKH-UHFFFAOYSA-N,3,1,0.346,85,290,410.485,3.498,5,0.451,0.74,1.0,0.07709375642519362,0.06435473922280859,0.1889178260571585,0.12088787608799945,0.11281354944829004
EOS-3-46818,CC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nc(C)nn5C)n4)n23)cc1,AZIDOWJQTMKPEJ-UHFFFAOYSA-N,3,1,0.333,74,423,410.441,3.16,5,0.419,0.72,1.0,0.07942395997532725,0.045404701528339385,0.08511239805359468,0.05203550133644027,0.0654941402234254
EOS-3-46819,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncnc4-c4cc(Cl)ccc4OC)n23)cc1F,SEMYMWMRWQWNIE-UHFFFAOYSA-N,3,1,0.33,96,648,489.898,4.076,5,0.396,0.86,0.998,0.615353642656432,0.5793639915016106,0.7069597697210609,0.640266260023302,0.6354859159756013
EOS-3-46820,CCOc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,OMWLMRVNGWANJL-UHFFFAOYSA-N,3,1,0.415,96,697,417.856,5.165,5,0.392,0.82,1.0,0.5457302446713728,0.6658385306010555,0.8157597148927421,0.8037403193749572,0.7077672023850319
EOS-3-46821,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(C)s5)c(F)c4)n23)c(F)c1,YZLPJKYCRMTAPJ-UHFFFAOYSA-N,3,1,0.562,43,521,449.486,5.389,5,0.36,0.77,1.0,0.8467120142553629,0.8251233637173601,0.8419316702076622,0.7994054554177232,0.8282931258995272
EOS-3-46822,COc1ccc(Cl)cc1Oc1cncc2nnc(-c3cc(-c4ccc(F)c(F)c4)ccn3)n12,NXAZCWSSOVHCJE-UHFFFAOYSA-N,3,1,0.424,57,236,465.847,5.586,5,0.337,0.83,1.0,0.8467205811801796,0.852588924679597,0.9589729970529779,0.9515626070865603,0.9024612774998287
EOS-3-46823,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3nn(C)cc3Cl)n12,SLURHQNBPYMIOF-UHFFFAOYSA-N,3,1,0.433,31,456,465.905,2.604,5,0.36,0.53,0.999,0.38091974504831744,0.4061664724830375,0.08245665136042767,0.06521999862929202,0.23369071688026866
EOS-3-46824,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(Cl)c1F,XRSJPEAVGAPWKR-UHFFFAOYSA-N,3,1,0.595,35,595,464.863,4.801,5,0.359,0.61,1.0,0.9490867658145432,0.9379497635528751,0.9034250565417038,0.9083938729353711,0.9247138647111233
EOS-3-46825,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)ccc2F)o1,VNDWIECILOTMFH-UHFFFAOYSA-N,3,1,0.442,6,826,483.467,3.663,6,0.349,0.72,1.0,0.48471660612706463,0.38714789939003497,0.3816307998081009,0.3062075937221575,0.3899257247618395
EOS-3-46826,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1-c1ccc(Cl)nc1,CENSJBQIQBPBTR-UHFFFAOYSA-N,3,1,0.409,95,564,471.283,4.007,5,0.358,0.62,1.0,0.46725721335069564,0.4687821259680625,0.7250531149338634,0.7811836063326708,0.6105690151463231
EOS-3-46827,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)[nH]n2)ccc1F,FQDRGUIOTPLOFU-UHFFFAOYSA-N,3,1,0.473,58,963,416.42,3.04,5,0.453,0.6,0.994,0.5146151737372353,0.42458536083887327,0.3588427797957645,0.3215509560688095,0.4048985676101706
EOS-3-46828,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncc(COC)n5)ccn4)n23)cc1,UGGJZIVXFACNQC-UHFFFAOYSA-N,3,1,0.465,89,731,482.504,2.728,5,0.355,0.63,1.0,0.4485813172503598,0.1683743403467891,0.2817918579946542,0.12950620245356725,0.2570634295113426
EOS-3-46829,Cc1ncc(Cl)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)o2)n1,AHXBTGFJKPAPLC-UHFFFAOYSA-N,3,1,0.312,38,126,455.865,5.125,6,0.36,0.7,1.0,0.37864094304708384,0.4511256939209102,0.5336851483791378,0.5417294907819888,0.4762953190322802
EOS-3-46830,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5cncs5)n4)n23)cn1,SQUODKFVBQVNES-UHFFFAOYSA-N,3,1,0.447,80,34,473.547,3.746,6,0.36,0.62,1.0,0.36240662051949835,0.32046295661709273,0.07149098759509287,0.057655404016174354,0.20300399218696458
EOS-3-46831,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)s5)c4)n23)cc1,KZSNUKZMHFCPLQ-UHFFFAOYSA-N,3,1,0.511,62,637,486.532,4.525,6,0.363,0.84,1.0,0.572621821670893,0.2639212528270852,0.36633883901034886,0.3794376670550339,0.39557989514084024
EOS-3-46832,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5)s4)n23)cn1,PBIJRRPASUGVDL-UHFFFAOYSA-N,3,1,0.457,28,363,466.53,4.289,6,0.361,0.65,1.0,0.39221095195668565,0.3632890137756151,0.19910389966417655,0.1909738880131588,0.286394438352409
EOS-3-46833,Cc1ccc(-c2nnc3cncc(C(F)(F)c4ccnnc4)n23)c(-c2ccc(C(F)F)nc2)n1,JXUJOGTXEXMGGV-UHFFFAOYSA-N,3,1,0.322,27,476,466.402,4.424,5,0.354,0.64,0.843,0.26930128161195255,0.3918425741895689,0.9708467548488795,0.9226406689054897,0.6386578198889726
EOS-3-46834,c1csc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)c1,AYGWPQCLVHUVLX-UHFFFAOYSA-N,3,1,0.3,8,927,413.426,3.151,6,0.433,0.64,1.0,0.054716948804057294,0.10117538208484682,0.08246521828524433,0.127475841272017,0.09145834761154137
EOS-3-46835,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5ccncc5)c4)n23)c(F)n1,SQBPIUIVGXQBOW-UHFFFAOYSA-N,3,1,0.518,97,91,412.428,4.275,5,0.401,0.77,1.0,0.707576588307861,0.6083630320060311,0.7687444314988692,0.7118000822424783,0.6991210335138099
EOS-3-46836,Cc1cc(Cn2nnnc2-c2cncc3nnc(-c4ccc(-c5cnc(C)n5C)cn4)n23)no1,ZWYXSDIOWXDRQM-UHFFFAOYSA-N,3,1,0.234,99,286,454.458,1.893,6,0.379,0.5,0.999,0.03961346035227195,0.038054280035638405,0.008995271057501199,0.006553697484750874,0.023304177232540607
EOS-3-46837,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc(Cl)n2)c1,IVYIOEOMBVWTFG-UHFFFAOYSA-N,3,1,0.5,24,912,468.279,4.668,5,0.346,0.64,0.999,0.764675142210952,0.8212168460009595,0.8434480159002125,0.8797632101980672,0.8272758035775478
EOS-3-46838,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)nc5)n34)cn2)no1,WRHSJDGBDSRALP-UHFFFAOYSA-N,3,1,0.296,70,812,410.357,2.348,6,0.422,0.69,1.0,0.24261531080803234,0.1340980741553012,0.10457645123706394,0.11159276266191488,0.14822064971557808
EOS-3-46839,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cn2)no1,FODFBFRFURWQHC-UHFFFAOYSA-N,3,1,0.3,70,812,410.357,2.348,6,0.422,0.69,1.0,0.2508481255568501,0.1414484956480022,0.10184360222054692,0.10918545678843122,0.15083142005345762
EOS-3-46840,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4Br)n23)ccn1,SSODBAZYWOKGQC-UHFFFAOYSA-N,3,1,0.482,51,980,482.277,2.857,5,0.376,0.61,1.0,0.517228085806319,0.420156260708656,0.2997652662600233,0.30278939072030703,0.38498475087382633
EOS-3-46841,Cc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)s2)n1,SQWZPTMMNZVBAQ-UHFFFAOYSA-N,3,1,0.324,38,126,447.527,5.347,6,0.362,0.74,1.0,0.14331608525803577,0.16048420259063806,0.45783359605236107,0.4298454526763073,0.29786983414433554
EOS-3-46842,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)c(F)c1F,ULWLTJOQOHOXFU-UHFFFAOYSA-N,3,1,0.472,73,526,471.83,4.237,5,0.381,0.58,1.0,0.5781303543280104,0.6753221163731067,0.9000411212391201,0.8977537523130698,0.7628118360633267
EOS-3-46843,Fc1cccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C(F)F)nc4)n23)c1,NYOPPHGHBHVUTR-UHFFFAOYSA-N,3,1,0.434,22,121,408.347,3.646,5,0.451,0.78,1.0,0.22913097114659722,0.4201648276334727,0.7018967171544103,0.7223202659173463,0.5183781954629566
EOS-3-46844,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc(Cl)n2)nc1,HGAXTBIBAGPVCP-UHFFFAOYSA-N,3,1,0.654,59,665,469.814,4.293,5,0.354,0.61,1.0,0.955280652456994,0.9365276540333082,0.8860427660886848,0.9026626002330204,0.9201284182030018
EOS-3-46845,O=[N+]([O-])c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)n4)n23)cc1,ZQLWCKGMWXESOG-UHFFFAOYSA-N,3,1,0.571,12,347,424.42,4.341,5,0.295,0.77,1.0,0.7585840586663012,0.27420156260708656,0.48570180248098144,0.2906671921047221,0.4522886539647728
EOS-3-46846,Cc1cnc(-c2nnc3cncc(OCc4cnc(-c5ccnc(C)c5)cn4)n23)cn1,CZCCROGMNPIKAH-UHFFFAOYSA-N,3,1,0.393,7,535,411.429,2.629,5,0.43,0.65,1.0,0.3554931121924474,0.1941436501953259,0.14158556644506887,0.08688575149064492,0.19452702008087175
EOS-3-46847,Fc1cnc(F)c(COc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)c1,LCTNSURUQYEWJF-UHFFFAOYSA-N,3,1,0.383,46,726,419.355,2.29,5,0.396,0.53,0.73,0.6922160921115756,0.4910818312658488,0.4544667945994106,0.43304948255774106,0.517703550133644
EOS-3-46848,COCc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)no5)ncn4)n23)c(F)n1,WGAFOGKGZPEEKS-UHFFFAOYSA-N,3,1,0.442,7,354,448.418,2.804,5,0.343,0.57,0.998,0.514623740662052,0.5740953327393599,0.24509971900486602,0.15848810910835445,0.3730767253786581
EOS-3-46849,Cc1nccc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(CF)c5)n34)cc2)n1,USQGVKQJVAIEED-UHFFFAOYSA-N,3,1,0.56,1,230,460.9,5.259,5,0.344,0.73,1.0,0.9609176889863614,0.9545438969227606,0.8607360701802481,0.82450654513056,0.9001760503049825
EOS-3-46850,Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5ccc(Cl)cc5)cc4F)n23)cc1,QVMMFKIAPZYZSA-UHFFFAOYSA-N,3,1,0.493,57,417,431.858,5.747,5,0.362,0.81,1.0,0.9481015694606264,0.9470992392570763,0.922889109725173,0.9256819272154068,0.9359429614145706
EOS-3-46851,N#Cc1cccc(COc2cncc3nnc(-c4cc(-c5ncco5)cnn4)n23)c1F,XPASYGQMYWESDS-UHFFFAOYSA-N,3,1,0.394,54,873,414.36,2.826,5,0.426,0.61,0.999,0.7075851552326777,0.46879069289287917,0.6145826194229319,0.580589061750394,0.5928868823247206
EOS-3-46852,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)c2)s1,SLJGRFPMSPFCJG-UHFFFAOYSA-N,3,1,0.512,72,628,440.941,4.912,5,0.386,0.62,1.0,0.5837930916318278,0.6267819203618669,0.38534884517853474,0.41711500239873894,0.5032597148927421
EOS-3-46853,CCc1nc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1cnccn1,MDFXXDDDKZALSI-UHFFFAOYSA-N,3,1,0.406,18,324,476.903,4.015,5,0.347,0.63,0.817,0.6983842779795765,0.7422212322664656,0.32906414913302723,0.3761736686998835,0.5364608320197382
EOS-3-46854,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncc(C)n5)ncn4)n23)cn1,VSNMXGFFGGIQKT-UHFFFAOYSA-N,3,1,0.457,7,354,411.429,2.629,5,0.43,0.64,1.0,0.4343773559043246,0.33417003632376124,0.16314851620862175,0.10066993352066342,0.25809146048934273
EOS-3-46855,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)cn2)c1,NCZWBBBJSCYIRR-UHFFFAOYSA-N,3,1,0.321,32,191,423.461,4.632,6,0.408,0.59,1.0,0.2071568089918443,0.22841991638681378,0.4253049825234734,0.4330580494825577,0.3234849393461723
EOS-3-46856,Cc1c(-c2ccnc(COc3cncc4nnc(-c5ccccc5F)n34)c2)ccnc1Cl,IMHDIFHERNONSI-UHFFFAOYSA-N,3,1,0.535,97,744,446.873,4.928,5,0.356,0.67,1.0,0.64968131039682,0.7807552600918375,0.8402439860187787,0.8387276403262285,0.7773520492084162
EOS-3-46857,CCc1nc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1-c1cnc(C)nc1C,HFELHYAQTTYGLH-UHFFFAOYSA-N,3,1,0.35,7,690,473.928,3.845,5,0.362,0.61,0.913,0.4532931258995271,0.45113426084572683,0.13246179151531767,0.10271742855184703,0.28490165170310466
EOS-3-46858,Clc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccco3)n12,JDHZPWBPHOQKPA-UHFFFAOYSA-N,3,1,0.625,58,28,424.873,4.178,5,0.377,0.66,1.0,0.7136162703036119,0.7552772256870673,0.26289322184908503,0.3094030566787746,0.5102974436296347
EOS-3-46859,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)c(F)c5)n34)cn2)cn1,QPAFWJSKYITMKU-UHFFFAOYSA-N,3,1,0.55,59,294,465.851,4.462,5,0.354,0.63,1.0,0.9006493729011035,0.9061322047837708,0.8693029949969159,0.8463693372626961,0.8806134774861215
EOS-3-46860,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)s2)ccn1,LELJEUNQSMXHTH-UHFFFAOYSA-N,3,1,0.348,32,818,422.473,5.237,6,0.387,0.72,1.0,0.16261736686998834,0.2032674251250771,0.6587965184017545,0.6545216229182372,0.41980073332876433
EOS-3-46861,Cc1cccc(-c2ncc(-c3nnc4cncc(Cc5ccc(Cl)c(Cl)c5)n34)s2)n1,SUAZXSPHAVOGTK-UHFFFAOYSA-N,3,1,0.371,14,358,453.358,5.516,5,0.359,0.79,0.995,0.2263381536563635,0.31519429785484204,0.6235521897059831,0.7434805702145157,0.4771413028579261
EOS-3-46862,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)s1,KQPBNRKXIQBPJK-UHFFFAOYSA-N,3,1,0.535,97,655,452.902,4.99,5,0.349,0.71,1.0,0.7558940442738674,0.6753306832979233,0.7616595846754849,0.7410475635665822,0.7334829689534644
EOS-3-46863,Clc1ccc(-c2cccc(-c3nnc4cncc(OCc5ncn(-c6ccccn6)n5)n34)c2)nn1,SHGQLJGXWCDEQH-UHFFFAOYSA-N,3,1,0.42,81,807,482.895,3.456,6,0.351,0.68,0.947,0.30673017613597425,0.41097251730518813,0.2132478925364951,0.2639726543759852,0.2987308100884107
EOS-3-46864,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]nn5)cc4)n23)cc1,NTIIWGTYHIETNE-UHFFFAOYSA-N,3,1,0.373,93,538,449.905,5.564,6,0.38,0.72,1.0,0.22913953807141388,0.39652011513946955,0.8761051333013501,0.9151446096909054,0.6042273490507848
EOS-3-46865,OCc1ccnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(CO)c5)n34)c2)c1,PKNXYAFFLBLDKZ-UHFFFAOYSA-N,3,1,0.484,97,214,474.908,3.465,5,0.368,0.65,0.938,0.7985915975601399,0.8461380302926461,0.8577290795695977,0.8078438763621411,0.8275756459461312
EOS-3-46866,COc1ncc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1-c1cccnc1,YZYCSUPZZZNFFZ-UHFFFAOYSA-N,3,1,0.565,35,752,476.899,4.671,5,0.337,0.74,1.0,0.8467291481049962,0.8787094784456172,0.7950962922349394,0.7564765951614009,0.8192528784867384
EOS-3-46867,Cn1ccnc1-c1nnc2cncc(OCc3cccc(-c4ccc(C#N)nc4)c3)n12,MPGZLFUHRDIHPT-UHFFFAOYSA-N,3,1,0.429,89,214,408.425,3.037,5,0.44,0.75,1.0,0.37163319854704957,0.13775615105201836,0.4821722294565143,0.4390634637790419,0.357656260708656
EOS-3-46868,Cc1ccc(-c2nnc3cncc(Cc4c(F)ccc(-c5ccc(C(F)F)nn5)c4F)n23)cn1,CABXSKMNSUKCDU-UHFFFAOYSA-N,3,1,0.365,14,476,465.414,4.758,5,0.348,0.63,0.997,0.42794359536700705,0.564705983140292,0.9271897059831403,0.8990816256596532,0.7047302275375231
EOS-3-46869,Fc1cnc(F)c(COc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5)ccn4)n23)c1,CBDRPEUHRAKOGO-UHFFFAOYSA-N,3,1,0.456,59,153,452.371,4.384,5,0.291,0.71,1.0,0.8602049208416147,0.785124391748338,0.9584675484887945,0.9567198958261942,0.8901291892262354
EOS-3-46870,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1nncc(C)n1,WXGPUCIEOUAMPF-UHFFFAOYSA-N,3,1,0.412,49,954,475.9,3.025,5,0.324,0.63,0.999,0.5558392159550408,0.5276540333082037,0.08512096497841135,0.0782160235761771,0.3117075594544582
EOS-3-46871,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5F)c4)n23)cnc1Cl,CTNSJFBRMCIGMR-UHFFFAOYSA-N,3,1,0.511,75,525,465.851,4.196,5,0.347,0.58,1.0,0.9226663696799396,0.9163182783907888,0.8174816667808923,0.8187495716537592,0.8688039716263449
EOS-3-46872,CCc1nc(-c2ccnnc2)cc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)n1,MZRMNIPTSSOUPF-UHFFFAOYSA-N,3,1,0.302,38,608,476.479,3.864,6,0.365,0.59,1.0,0.35797752038928105,0.34427900760742924,0.27415016105818657,0.272590980741553,0.3122494174491125
EOS-3-46873,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4Cl)n23)c1,MGIZHOKISHKXME-UHFFFAOYSA-N,3,1,0.573,97,71,455.33,5.196,5,0.363,0.73,1.0,0.5509475018847234,0.7466160646974163,0.7848673840038379,0.8498989102871634,0.7330824652182852
EOS-3-46874,FC(F)Oc1cc(-c2nnc3cncc(-c4nnc(-c5ccnc(Cl)c5)[nH]4)n23)ccc1Cl,IMOMKURBWPCSNG-UHFFFAOYSA-N,3,1,0.363,22,121,475.246,4.547,5,0.372,0.71,0.998,0.460103831128778,0.7681790144609691,0.9076314166266877,0.9351912137619081,0.7677763689945858
EOS-3-46876,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ncn2)n1,MYUYULVFTDUUKK-UHFFFAOYSA-N,3,1,0.394,18,481,473.859,3.324,5,0.364,0.56,0.813,0.8067558769104243,0.7327890480433144,0.6085772051264479,0.6282554314303338,0.6940943903776301
EOS-3-46877,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1-c1cncc(F)c1,HFFRJGPGPBBGSO-UHFFFAOYSA-N,3,1,0.435,95,998,455.375,3.722,5,0.297,0.67,0.908,0.5226595161400863,0.4381468028236584,0.9104499348913714,0.9014632307586868,0.6931798711534508
EOS-3-46878,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cc5)nc4)n23)cnc1Cl,OEPQWXHFXRPVPT-UHFFFAOYSA-N,3,1,0.542,59,801,467.291,5.273,5,0.328,0.78,1.0,0.9023284901651704,0.9379583304776917,0.9290315948187239,0.9467565622644095,0.9290187444314988
EOS-3-46879,Cc1ncc(-c2nnc3cncc(OCc4ccnc(-c5ccnc(C)n5)c4)n23)cn1,BFXJPCCXIRNIIS-UHFFFAOYSA-N,3,1,0.432,51,441,411.429,2.629,5,0.43,0.63,1.0,0.5021674319786169,0.2742101295319032,0.1662754437667055,0.0945531492015626,0.25930153861969707
EOS-3-46880,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)nn1C,WHGPRPPCIBSSSI-UHFFFAOYSA-N,3,1,0.394,31,569,467.896,3.217,5,0.362,0.54,0.943,0.32453224590500995,0.2437975464327325,0.28527002947022134,0.30941162360359126,0.29075286135288875
EOS-3-46881,Fc1ccnc(-c2ccncc2-c2nnc3cncc(-c4ncc(-c5ccnc(F)c5)cn4)n23)c1,QXFHXQSRSUCDNM-UHFFFAOYSA-N,3,1,0.317,42,989,465.427,4.046,6,0.359,0.56,1.0,0.25870399561373447,0.3778013844150504,0.6616578712905216,0.7032759920498938,0.5003598108423001
EOS-3-46882,COc1cc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)ncc1-c1cncn1C,LZJSRPMIVNHRPX-UHFFFAOYSA-N,3,1,0.38,46,565,432.419,2.708,5,0.377,0.49,1.0,0.5751576314166267,0.4337177026934412,0.48218079638133093,0.33423857172229454,0.45632367555342335
EOS-3-46883,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)ccn1,SBMDLGXCELTDPY-UHFFFAOYSA-N,3,1,0.524,97,91,438.875,4.681,5,0.371,0.63,1.0,0.8375711054759784,0.8251319306421767,0.8055650743609074,0.8387362072510451,0.8267510794325269
EOS-3-46884,CCc1ccc(Oc2cncc3nnc(-c4cncc(-c5nncc(C)n5)c4)n23)cn1,YEGRNKVRYXELHL-UHFFFAOYSA-N,3,1,0.375,92,36,411.429,3.096,5,0.43,0.71,1.0,0.3370228222877116,0.19415221712014255,0.1295233363032006,0.08869337262696182,0.18734793708450415
EOS-3-46885,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)ccc4OC)n23)c(F)c1,VTESIZQNMPFUQR-UHFFFAOYSA-N,3,1,0.441,89,398,488.483,2.673,5,0.371,0.84,1.0,0.41615550681927216,0.40160030155575355,0.4578421629771777,0.24884346514974984,0.3811103591254883
EOS-3-46886,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(Cl)n1,HFYGBWBEXUBIPW-UHFFFAOYSA-N,3,1,0.467,4,799,469.267,4.063,5,0.355,0.59,1.0,0.6922246590363923,0.7934000411212391,0.5438112535124392,0.6571088342128709,0.6716361969707354
EOS-3-46887,FC(F)(F)c1cccc(-c2nccc(Oc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)c1,BUJZVURRKPRPCX-UHFFFAOYSA-N,3,1,0.418,27,412,469.814,5.108,5,0.338,0.77,1.0,0.8851261051333014,0.9459084367075594,0.9723116989925297,0.9495922143787267,0.9382346138030293
EOS-3-46888,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cncc(-c5cnc(F)nc5)n4)n23)cc1,BFKCXZRTZLWAIU-UHFFFAOYSA-N,3,1,0.427,56,350,481.455,2.552,6,0.327,0.67,1.0,0.5457388115961894,0.4644729627852786,0.2380748406551984,0.19907819888972655,0.36184120348159826
EOS-3-46889,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)nc2F)nc1,KBTKFTHGSUPFDY-UHFFFAOYSA-N,3,1,0.402,73,665,470.802,3.688,5,0.358,0.57,1.0,0.8691059557261326,0.8525974916044137,0.7479268041943664,0.7763347268864369,0.8114912446028373
EOS-3-46890,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cncc(-c4cncnc4)c3)n12,WVNLTYPIIVNVDX-UHFFFAOYSA-N,3,1,0.471,65,349,413.445,2.307,5,0.417,0.66,1.0,0.2587125625385512,0.16049276951545474,0.14454972243163594,0.10919402371324789,0.16823726954972243
EOS-3-46891,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5nccs5)ncn4)n23)nc1Cl,VBXYTKCKSIKIGN-UHFFFAOYSA-N,3,1,0.423,44,481,454.878,3.514,5,0.359,0.58,0.936,0.635006168185868,0.6131519429785485,0.270140840243986,0.33424713864711125,0.46313652251387843
EOS-3-46892,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6(C)CC6)cc5F)n34)nc2)n1C,XRLFSMKVKOQRAI-UHFFFAOYSA-N,3,1,0.33,52,295,482.523,3.984,6,0.406,0.71,0.999,0.19877835652114317,0.27929031594818726,0.17602460420807348,0.21425022274004524,0.2170858748543623
EOS-3-46893,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ncc(Cl)cn5)n34)nc2)n1C,XFQHRASGPRQUEC-UHFFFAOYSA-N,3,1,0.27,86,812,481.911,3.463,6,0.372,0.63,0.909,0.25085669248166675,0.23317455966006442,0.14741964224521967,0.1744225892673566,0.20146837091357683
EOS-3-46894,Cc1ccc(COc2cncc3nnc(-c4cnnc(-c5ccnc(CF)c5)c4)n23)nc1,AYNFSVIFFLTOEZ-UHFFFAOYSA-N,3,1,0.463,4,205,428.431,3.395,5,0.405,0.48,1.0,0.43438592282914124,0.3683434994174491,0.4138767048180385,0.3342557055719279,0.3877154581591392
EOS-3-46895,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4cccnc4-c4ccccc4)n23)cc1,AKOURWZIRDALEV-UHFFFAOYSA-N,3,1,0.612,1,640,463.419,5.331,5,0.339,0.75,1.0,0.982437804125831,0.9365362209581248,0.9751730518812967,0.9488982934685766,0.9607613426084571
EOS-3-46896,COc1cnc(-c2cc(-c3nnc4cncc(OCc5cncn(C)c5=O)n34)ccc2OC)nn1,SORSFXLNUFBHJA-UHFFFAOYSA-N,3,1,0.457,92,375,473.453,1.333,5,0.337,0.62,0.999,0.24003666643821533,0.06436330614762525,0.07808751970392708,0.03250291275443767,0.10374760126105134
EOS-3-46897,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccsc5)n4)n23)c(F)c1,AHGGLJOLYIJUSR-UHFFFAOYSA-N,3,1,0.5,4,436,417.469,4.941,5,0.405,0.74,1.0,0.7291052703721472,0.755285792611884,0.7277345624014804,0.6978102940168597,0.7274839798505929
EOS-3-46898,Fc1ccc(Cl)cc1-c1nsc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,KVJFADDSBCPOLG-UHFFFAOYSA-N,3,1,0.383,45,243,459.844,5.102,5,0.372,0.71,0.652,0.2613940100061682,0.5276626002330204,0.832139675142211,0.8812538551161675,0.6256125351243917
EOS-3-46899,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)ncn2)s1,YLPXWAGYPJISTF-UHFFFAOYSA-N,3,1,0.436,92,463,486.521,2.274,6,0.363,0.73,1.0,0.26656843259543556,0.1683829072716058,0.007281886094167638,0.006005414296484134,0.11205966006442329
EOS-3-46901,CC(Oc1ncccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)nc3)n12)c1ccccc1,XGCPKRCPOCPZOR-UHFFFAOYSA-N,3,1,0.333,52,302,477.528,4.281,6,0.373,0.68,0.986,0.2911126721951888,0.14507230484545267,0.2701494071688027,0.26978102940168597,0.24402885340278258
EOS-3-46902,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cc(F)ncc5Cl)c4)n23)nn1,JJTWFOKHYDRMRQ-UHFFFAOYSA-N,3,1,0.294,14,358,466.307,4.988,5,0.347,0.7,0.189,0.3392844904393119,0.4016088684805702,0.8450157631416627,0.894986635597286,0.6202239394147078
EOS-3-46903,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)c(F)c2)cn1,SISIWODBJHNPHB-UHFFFAOYSA-N,3,1,0.482,97,91,451.824,4.154,5,0.293,0.71,1.0,0.9316102391885409,0.9320899869782743,0.8786066753478171,0.8770303611815503,0.9048343156740457
EOS-3-46904,CC(C)n1cncc1COc1cncc2nnc(-c3cc(-c4ccncc4)ncn3)n12,QXTIAILUHBHVMX-UHFFFAOYSA-N,3,1,0.357,7,395,413.445,3.0,5,0.418,0.65,0.999,0.21517545062024535,0.10118394900966349,0.2741587279830032,0.14564628880816943,0.1840411041052704
EOS-3-46905,Cc1cc(Oc2cncc3nnc(-c4ccnc(-c5ccc(F)cc5)c4)n23)ccc1F,YVHUUHQZEXJGOV-UHFFFAOYSA-N,3,1,0.568,57,417,415.403,5.232,5,0.402,0.81,1.0,0.8888013158796518,0.8526060585292303,0.9412051949832089,0.9360307723939415,0.9046608354465081
EOS-3-46906,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)cc1,UZRMSHDZOYTGDZ-UHFFFAOYSA-N,3,1,0.333,25,791,483.898,4.503,6,0.364,0.76,1.0,0.25086525940648347,0.42017339455828934,0.6667637584812556,0.7564851620862175,0.5235718936330614
EOS-3-46907,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nccn5C)nnc4C)n23)nn1,UDUKNHNEHJYKEL-UHFFFAOYSA-N,3,1,0.38,53,105,414.433,1.968,5,0.425,0.61,0.926,0.28009560688095403,0.11107874717291481,0.026454663833870195,0.014658008361318621,0.10807175656226442
EOS-3-46908,COCc1ccc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)cn1,QKCLHGUSQWJDBD-UHFFFAOYSA-N,3,1,0.494,2,419,477.887,4.161,5,0.344,0.68,1.0,0.6069323555616476,0.6804622712631074,0.7302361044479474,0.6922417928860256,0.677468131039682
EOS-3-46909,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)nc(F)c5F)n34)cn2)nc1,DVHOWUMHRRBLKN-UHFFFAOYSA-N,3,1,0.444,73,930,454.347,3.174,5,0.295,0.63,1.0,0.9132427523816051,0.8990130902611199,0.77563223905147,0.7410561304913988,0.8322360530463985
EOS-3-46910,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6F)nc5)n34)cc2)n1,ZGTHIGVEMVPXHD-UHFFFAOYSA-N,3,1,0.35,69,987,459.488,5.425,6,0.35,0.73,1.0,0.31723322596120895,0.4511428277705435,0.7888167363443218,0.7790076074292372,0.5840500993763279
EOS-3-46912,Fc1ccc(-c2ncccc2-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)cc1,DDLDDNRSXDYKAE-UHFFFAOYSA-N,3,1,0.409,83,358,415.859,5.237,5,0.403,0.79,0.989,0.4138767048180385,0.5552395312178741,0.8989188540881365,0.9427986429991091,0.7027084332807896
EOS-3-46913,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1noc(C)n1,BWESWDMPIREBPE-UHFFFAOYSA-N,3,1,0.447,7,690,448.874,3.735,5,0.382,0.55,0.991,0.40082927832225346,0.4777516962511137,0.09222294565142897,0.11396580083613186,0.271192430265232
EOS-3-46914,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnnc5)n34)nnc2Cl)ccc1Cl,DGHXIFUBCIJHLZ-UHFFFAOYSA-N,3,1,0.484,54,207,483.294,4.106,5,0.356,0.74,1.0,0.9101929271468714,0.9289202247961071,0.72506168185868,0.8125385511616751,0.8441783462408333
EOS-3-46915,FC(F)c1nc(-c2cccc(-c3nnc4cncc(OCc5cccs5)n34)c2)ns1,SVZLVZWMIYWVKF-UHFFFAOYSA-N,3,1,0.662,27,921,442.476,4.888,5,0.373,0.69,1.0,0.43439448975395795,0.5895586320334453,0.4647385374545953,0.4203961346035227,0.4772719484613803
EOS-3-46916,COc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccn(C)c3Cl)n12,UKKNJHKJERDWES-UHFFFAOYSA-N,3,1,0.545,15,777,466.954,4.537,5,0.35,0.65,1.0,0.5699746419025427,0.5647145500651086,0.560448221506408,0.47068398327736277,0.5414553491878555
EOS-3-46917,Fc1cc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nnc1-c1cccnc1F,MACWOOZWAZQSJO-UHFFFAOYSA-N,3,1,0.376,85,476,452.375,3.845,5,0.295,0.63,0.434,0.39014632307586866,0.5367949420875883,0.8036203824275238,0.7904016174354054,0.6302408162565964
EOS-3-46918,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)c1,CCYBDTCBISWHJC-UHFFFAOYSA-N,3,1,0.424,59,153,452.371,4.384,5,0.291,0.72,1.0,0.787446028373655,0.7235196353916798,0.967685559591529,0.9639503803714619,0.8606504009320814
EOS-3-46919,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)s1,JFHQADXZENPXKZ-UHFFFAOYSA-N,3,1,0.322,38,270,453.556,5.409,6,0.355,0.74,1.0,0.07332430950585977,0.15291104105270373,0.24170721677746557,0.2965869371530395,0.19113237612226713
EOS-3-46920,Cc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)s2)cn1,RLBSODGHQCRAHE-UHFFFAOYSA-N,3,1,0.479,7,986,485.533,2.879,6,0.369,0.73,1.0,0.25580837502570075,0.17262353505585634,0.014812213008018642,0.01314166266876842,0.11409644643958605
EOS-3-46921,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,QMOYYRCEOZPZAF-UHFFFAOYSA-N,3,1,0.476,65,466,411.429,2.363,5,0.415,0.66,1.0,0.5354156671921048,0.295079158385306,0.19228462751010897,0.1456548557329861,0.2921085772051264
EOS-3-46922,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5csnn5)ncn4)n23)nc1,HMZLCFIQIAKMDE-UHFFFAOYSA-N,3,1,0.358,6,843,469.494,2.474,6,0.358,0.57,0.994,0.19052840792269207,0.16442498800630526,0.0695120279624426,0.056130491398807485,0.12014897882256186
EOS-3-46923,Cc1cccnc1-c1cnnc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,DEZXKJSYTGCLNQ-UHFFFAOYSA-N,3,1,0.419,65,658,411.429,2.363,5,0.415,0.65,0.987,0.3764135425947502,0.20327599204989377,0.09003837982317867,0.0833219107669111,0.18826245630868343
EOS-3-46924,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cn1,LGDKVRZHYNBJQC-UHFFFAOYSA-N,3,1,0.418,46,395,422.861,3.332,5,0.397,0.56,0.984,0.462374066205195,0.48184668631348093,0.28894524021657186,0.3406466314851621,0.3934531560551025
EOS-3-46925,Cc1ccnc(-c2nnc3cncc(OCc4cc(F)c(-c5cnn(C)n5)cn4)n23)c1,CYQGYRFJUXJDHL-UHFFFAOYSA-N,3,1,0.426,92,105,417.408,2.403,5,0.429,0.53,0.958,0.38092831197313415,0.3632975807004318,0.24884346514974984,0.20519498320882737,0.2995660852580358
EOS-3-46926,Cc1nc(Cl)c(-c2cncc(-c3nnc4cncc(OCc5sncc5C)n34)c2)s1,CHNPVWMGAYKHCN-UHFFFAOYSA-N,3,1,0.476,2,36,455.956,4.616,5,0.382,0.62,1.0,0.42081591391953943,0.5231906654787197,0.15063223905147008,0.17179254334863958,0.3166078404495922
EOS-3-46927,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nc6cccnc6s5)n34)cn2)n[nH]1,WFWXWMCEECYHCH-UHFFFAOYSA-N,3,1,0.264,50,155,412.442,2.952,6,0.47,0.67,0.972,0.08836782948392845,0.16839147419642245,0.02865636351175382,0.03669213898978822,0.08052695154547324
EOS-3-46928,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nn5)nc(F)c4F)n23)nn1,NTQXZTISDGANEH-UHFFFAOYSA-N,3,1,0.372,53,670,451.372,2.738,5,0.372,0.48,0.177,0.7044068261256939,0.6658470975258721,0.4785998218079638,0.455049345486944,0.5759757727366184
EOS-3-46929,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cn1)N1CC(F)(F)C1,UPGCUEKFIIQMHT-UHFFFAOYSA-N,3,1,0.311,82,523,488.433,3.541,6,0.381,0.78,0.925,0.22914810499623056,0.3341786032485779,0.33301350147351105,0.46442156123637857,0.3401904427386745
EOS-3-46930,Fc1ccc(-c2cncnc2)nc1-c1nnc2cncc(-c3cnn(-c4cccc(Cl)n4)c3)n12,QVUGVMDGXWMMSO-UHFFFAOYSA-N,3,1,0.275,94,664,470.859,3.684,6,0.358,0.56,0.954,0.011633883901034885,0.1644335549311219,0.44718490850524295,0.5381913508327051,0.2903609245425262
EOS-3-46931,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5C)nc4)n23)cc1,XVCQDIRDANJRJW-UHFFFAOYSA-N,3,1,0.582,89,731,409.453,3.839,5,0.435,0.75,1.0,0.6095624014803646,0.40617503940785415,0.3663474059351655,0.2758207113974368,0.41447638955520527
EOS-3-46932,Fc1nc(C(F)F)ccc1-c1nnc2cncc(Cn3ccnc3-c3ncc(Cl)cn3)n12,PPHODMIOVJKUDQ-UHFFFAOYSA-N,3,1,0.322,85,260,457.807,3.618,5,0.372,0.51,1.0,0.35798608731409776,0.4556832979233774,0.5304639846480708,0.5865944760468782,0.48268196148310605
EOS-3-46933,COCCc1ccc(-c2nnc3cncc(-c4ccc(-c5cc[nH]c5)cc4F)n23)cn1,APCRPWNGHUQDMV-UHFFFAOYSA-N,3,1,0.333,96,204,414.444,4.176,5,0.451,0.71,0.999,0.34650640805976285,0.43372626961825783,0.7432235624700158,0.7359074086765814,0.5648409122061545
EOS-3-46934,CCn1ncnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3OC)n12,IRDKGXAYUMHQLZ-UHFFFAOYSA-N,3,1,0.326,63,792,404.434,1.97,5,0.523,0.87,0.995,0.0752347337399767,0.04170379000753889,0.009397916523884586,0.00770166541018436,0.03350952642039613
EOS-3-46935,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)s1,OAMDRPBSUROLIL-UHFFFAOYSA-N,3,1,0.478,97,655,452.902,4.99,5,0.349,0.72,1.0,0.7789476389555205,0.7051949832088273,0.7687529984236858,0.7539065177164005,0.7517005345761086
EOS-3-46936,Fc1ccc(-c2ccc(F)nc2-c2nnc3cncc(-c4cccc(-c5nnco5)n4)n23)cn1,MYFUQWFUCMEXFH-UHFFFAOYSA-N,3,1,0.274,76,653,455.388,3.639,6,0.367,0.51,0.914,0.2665769995202522,0.3152028647796587,0.45447536152422724,0.5014649441436502,0.3844300424919471
EOS-3-46937,FCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)s1,ZMTVNOHFVOCHQP-UHFFFAOYSA-N,3,1,0.324,38,608,454.494,4.767,6,0.373,0.62,1.0,0.23163251319306422,0.20328455897471043,0.46474710437941197,0.4582533753683778,0.3394793879788911
EOS-3-46938,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)cc5)n34)cn2)cn1C,MYKSXQWOZSCXSW-UHFFFAOYSA-N,3,1,0.382,69,987,461.504,5.368,6,0.353,0.76,0.973,0.3121187718456583,0.4818552532382976,0.7526471797683504,0.7434891371393325,0.5725275854979097
EOS-3-46939,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5c(F)ncc6ccccc56)cc4)n23)cn1,XBPKELHTZMWSNL-UHFFFAOYSA-N,3,1,0.372,12,319,446.489,5.44,6,0.337,0.78,1.0,0.387816119525735,0.4731769583990131,0.8355064765951614,0.8366116098965115,0.6332777911041052
EOS-3-46940,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)nc1F,GVLIPXVUEUXMHJ-UHFFFAOYSA-N,3,1,0.378,13,724,457.803,4.45,5,0.371,0.59,0.999,0.6834435610993078,0.7097525872112946,0.8483140291960798,0.8549019943800973,0.7741030429716949
EOS-3-46941,C#Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cncn5C)ns4)n23)cn1,KOOKNUQCIKFVQP-UHFFFAOYSA-N,3,1,0.461,7,48,415.442,1.999,5,0.401,0.65,1.0,0.34874237543691317,0.19881262422040985,0.08512953190322801,0.059128915084641215,0.17295336166129807
EOS-3-46942,Fc1ccc(F)c(-c2nnc3cncc(-c4nnc(-c5nc(Cl)cs5)[nH]4)n23)c1,FBPSDWCYRORYLL-UHFFFAOYSA-N,3,1,0.351,22,844,416.804,3.632,5,0.482,0.57,0.626,0.26658556644506887,0.47776026317593034,0.4286546501267905,0.6489102871633199,0.4554776917277774
EOS-3-46943,Cc1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4Cl)n23)ccc1Cl,FKLATLNFGBIIHW-UHFFFAOYSA-N,3,1,0.562,90,255,454.239,5.399,4,0.387,0.69,1.0,0.9615944760468782,0.9651497498457954,0.993163593996299,0.9873723528202316,0.9768200431773011
EOS-3-46944,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ncc(F)cn4)n23)s1,KVPSUGXIIJEMKN-UHFFFAOYSA-N,3,1,0.273,86,588,457.458,2.701,6,0.393,0.48,0.92,0.09324240970461244,0.18127612912069083,0.02866493043657049,0.046749708724556235,0.0874832944966075
EOS-3-46945,Fc1cc(-c2cncs2)cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)c1,JQTLDSZJKDTOLD-UHFFFAOYSA-N,3,1,0.535,88,439,454.437,4.349,5,0.355,0.61,1.0,0.8170704543896923,0.7807638270166541,0.8229216640394764,0.8168048797203755,0.8093902062915496
EOS-3-46946,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5cc(-c6cncnn6)nn5C)n34)c2)nn1,GAFOVQBVXLUPFP-UHFFFAOYSA-N,3,1,0.311,71,502,478.48,2.116,6,0.346,0.63,1.0,0.21802823658419573,0.09492152696867932,0.07149955451990954,0.05204406826125694,0.10912334658351039
EOS-3-46947,c1ccc(-c2nccnc2-c2nnc3cncc(OCc4nnc(-c5ccco5)s4)n23)cc1,UYWLYZPTZTVOCI-UHFFFAOYSA-N,3,1,0.402,64,365,454.475,3.939,6,0.369,0.63,0.999,0.2801041738057707,0.1988211911452265,0.05372318552532383,0.08333047769172777,0.15399475704201218
EOS-3-46949,Cc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,IYONEHRVJPOZMS-UHFFFAOYSA-N,3,1,0.338,69,695,430.471,5.484,6,0.368,0.74,1.0,0.15966177780823795,0.12382633130011651,0.7120399561373449,0.6718182441230895,0.41683657734219726
EOS-3-46950,Fc1cc(COc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)nc(-c2ncccn2)c1,MNDXJSRVBDXJGU-UHFFFAOYSA-N,3,1,0.544,41,667,476.475,4.423,6,0.348,0.65,1.0,0.5379429100130217,0.5460814885888562,0.5637978891097252,0.5612192447399081,0.5522603831128778
EOS-3-46951,Clc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(Cl)nc5)n34)s2)nc1,LRXOWWKOURLZCT-UHFFFAOYSA-N,3,1,0.366,85,580,454.346,4.797,5,0.355,0.64,0.983,0.3094373243780413,0.46448152971009526,0.34766294291001304,0.52480981426907,0.4115979028168049
EOS-3-46952,Cn1ncnc1-c1[nH]ccc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,QPHNMTHOJXBUMC-UHFFFAOYSA-N,3,1,0.422,63,536,473.472,2.525,6,0.372,0.7,0.997,0.3965629497635529,0.2690871084915359,0.11830923171818244,0.1430762113631691,0.23175887533411008
EOS-3-46953,Cc1nnc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)n1C,CXPOZDRGUUUNLD-UHFFFAOYSA-N,3,1,0.396,31,296,415.421,1.097,5,0.396,0.61,0.948,0.2043382907271606,0.052609485299157016,0.00527722568706737,0.0030412583099170723,0.0663165650058255
EOS-3-46954,Fc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)c1,FJBBVMMYFMGMGX-UHFFFAOYSA-N,3,1,0.506,65,142,414.404,2.799,5,0.418,0.59,1.0,0.716734630936879,0.6561065040093208,0.45070591460489345,0.44238743060790897,0.5664836200397505
EOS-3-46955,Cc1ncc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)c2)cn1,GRMGOBUISFPVSZ-UHFFFAOYSA-N,3,1,0.506,13,145,449.301,5.656,5,0.353,0.78,1.0,0.6863905832362415,0.7375779590158317,0.8836440271400178,0.9002895620588034,0.8019755328627236
EOS-3-46956,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cc1F,QVRBHABOHPJCKE-UHFFFAOYSA-N,3,1,0.506,59,884,468.826,4.898,5,0.365,0.68,1.0,0.8942327462134192,0.9217411417997395,0.9744020286477966,0.9786940579809471,0.9422674936604756
EOS-3-46957,Fc1cc(-c2nnc3cncc(-c4nc(-c5ccco5)no4)n23)ccc1OC(F)F,IIOBZCZPFACSSQ-UHFFFAOYSA-N,3,1,0.398,50,155,414.303,3.842,5,0.427,0.69,1.0,0.6236378589541498,0.6267904872866835,0.7848759509286547,0.7716571859365362,0.7017403707765061
EOS-3-46958,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)nn5)n34)ccn2)nc1,AVBQGSRLDPLZQC-UHFFFAOYSA-N,3,1,0.489,75,583,449.837,2.847,5,0.385,0.46,1.0,0.7585926255911178,0.7681875813857858,0.24885203207456652,0.32450654513055993,0.5250346960455075
EOS-3-46959,CC(c1cccnc1)c1cncc2nnc(-c3cnccc3-c3cc(F)cc(Cl)c3)n12,PHLYQWOWSSSVLS-UHFFFAOYSA-N,3,1,0.355,14,439,430.874,5.193,5,0.392,0.68,1.0,0.29901137687615653,0.37780995133986706,0.9419590843670756,0.9411880611335754,0.6399921184291687
EOS-3-46960,FCc1csc(COc2cncc3nnc(-c4cc(Cl)cc(-c5cccnc5)c4)n23)n1,IVEBWIUQCZRCKK-UHFFFAOYSA-N,3,1,0.625,4,439,452.902,5.012,5,0.36,0.68,1.0,0.4822493317798643,0.6853368514837914,0.5865687752724282,0.6571174011376876,0.6028180899184429
EOS-3-46961,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5cnc(Cl)s5)c4)n23)cc1,PIAZWEIIBPJGSZ-UHFFFAOYSA-N,3,1,0.595,2,884,455.33,5.196,5,0.363,0.74,1.0,0.6496898773216366,0.6561150709341375,0.8055736412857241,0.8515865944760469,0.7407412960043862
EOS-3-46962,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)cc2)no1,FZFJWVGRWWHBBJ-UHFFFAOYSA-N,3,1,0.338,38,983,409.369,2.953,6,0.428,0.72,1.0,0.20716537591666095,0.1305942019052841,0.2272719484613803,0.22528442190391337,0.19757898704680968
EOS-3-46963,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cn1,LQBJAXQCOWADHQ-UHFFFAOYSA-N,3,1,0.488,57,913,435.821,5.577,5,0.345,0.78,1.0,0.7874545952984716,0.8968113905832362,0.9698615584949627,0.9759183743403468,0.9075114796792543
EOS-3-46964,CCOc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,ZXDGCCSIQRLAEG-UHFFFAOYSA-N,3,1,0.495,35,161,475.459,3.942,5,0.333,0.65,1.0,0.7901617435405387,0.6131605099033651,0.4924011376876157,0.43907203070385853,0.5836988554588445
EOS-3-46965,Fc1c(Cl)cc(-c2ncccn2)nc1Cc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,OAIAKIXZRGSUBZ-UHFFFAOYSA-N,3,1,0.396,14,81,467.842,4.964,5,0.363,0.64,1.0,0.4921441299431156,0.6610924542526215,0.8966571859365362,0.9118977451853882,0.7404478788294154
EOS-3-46966,Cc1cscc1CCOc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,OXAJPCBAFXBOOF-UHFFFAOYSA-N,3,1,0.597,75,583,420.523,4.301,5,0.408,0.68,1.0,0.5146323075868686,0.40161743540538686,0.26661983414433554,0.2196388184497293,0.3506270988965801
EOS-3-46967,Cn1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6COC6)cc5)n34)cnn2)n1,WJFDKLVZYLTUMM-UHFFFAOYSA-N,3,1,0.464,36,571,485.468,0.479,6,0.341,0.77,1.0,0.3602820231649647,0.09174319786169556,0.02646323075868686,0.015780275512302103,0.1235671818244123
EOS-3-46968,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5cncs5)cn4)n23)cc1,UCFVWCODRNEGFY-UHFFFAOYSA-N,3,1,0.556,97,744,418.457,4.336,5,0.423,0.65,1.0,0.8120416695223083,0.732797614968131,0.67515934480159,0.6254626139401,0.7113653108080324
EOS-3-46969,CCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cn1,DFSHZQOAQRUPNH-UHFFFAOYSA-N,3,1,0.433,7,296,417.458,2.636,5,0.411,0.58,0.99,0.26930984853676926,0.17263210198067303,0.04647556713042286,0.03468747858268796,0.13077624905763827
EOS-3-46970,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5nc(F)ccc5Cl)cnn4)n23)c1,OXKODQZRPIYFES-UHFFFAOYSA-N,3,1,0.43,54,873,466.839,3.591,5,0.35,0.55,0.979,0.6954972243163594,0.7002347337399767,0.5929682681104791,0.6777551230210404,0.6666138372969639
EOS-3-46971,Fc1nccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)n1,VOIVQODFEQLPOE-UHFFFAOYSA-N,3,1,0.43,46,122,434.822,3.41,5,0.306,0.6,1.0,0.5198152971009526,0.5093465149749846,0.5171595504077856,0.5283393872935371,0.518665187444315
EOS-3-46972,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cnn(-c6ccc(F)cn6)c5)n34)c2)cn1,FPBYZYDLAJTJHL-UHFFFAOYSA-N,3,1,0.434,40,247,479.479,3.856,6,0.354,0.67,1.0,0.3647025563703653,0.3683520663422658,0.4718576519772463,0.4140052086902885,0.40472937084504146
EOS-3-46973,Cn1cncc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)c1,MDSAUJNYUUBGIB-UHFFFAOYSA-N,3,1,0.453,6,414,479.479,3.762,6,0.332,0.69,1.0,0.5172366527311356,0.47318552532382974,0.5865773421972449,0.49802104036734973,0.51875514015489
EOS-3-46974,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)n2)sc1C,XOBYZEFWMGPJQE-UHFFFAOYSA-N,3,1,0.5,58,271,465.489,4.221,5,0.347,0.65,1.0,0.6379360564731684,0.705203550133644,0.3070300185045576,0.29067575902953874,0.4852113460352272
EOS-3-46975,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(F)cc4-n4cccc4)n23)ccn1,ZFXMXPGWDGNOGN-UHFFFAOYSA-N,3,1,0.484,6,247,466.48,4.096,6,0.367,0.61,1.0,0.532879857446371,0.4109810842300048,0.5961894318415462,0.5547426495785073,0.5236982557741072
EOS-3-46976,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ccc2F)cc1=O,XRBUNCUPRKVOJO-UHFFFAOYSA-N,3,1,0.489,16,605,481.85,3.458,5,0.379,0.63,1.0,0.6983928449043931,0.6658556644506888,0.8434565828250291,0.84990747721198,0.7644031423480229
EOS-3-46977,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(F)c1,ZIRIWWRRINLHRR-UHFFFAOYSA-N,3,1,0.321,69,484,461.504,5.368,6,0.353,0.72,0.999,0.19596840518127612,0.27421869645671987,0.7848845178534714,0.7539150846412171,0.5022466760331711
EOS-3-46978,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)ccc2F)cc(C)n1,JDTUWZWMRRRHJS-UHFFFAOYSA-N,3,1,0.523,59,89,462.435,4.861,5,0.347,0.66,1.0,0.9132513193064218,0.9011890891645535,0.9313789322184909,0.8881245288191351,0.9084859673771503
EOS-3-46979,CCc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1nc(C)c(F)[nH]1,CUJXOKNKXQXFAZ-UHFFFAOYSA-N,3,1,0.38,46,717,464.892,4.214,5,0.375,0.66,0.549,0.5072047837708177,0.5509132341854568,0.370125419779316,0.36336611609896513,0.44790238845863894
EOS-3-46980,COc1nc(-c2nnc3cncc(OCc4cccc(-n5ccnc5)n4)n23)ccc1-c1ncco1,DVVGNYJRURXLJV-UHFFFAOYSA-N,3,1,0.402,6,414,467.449,3.01,6,0.345,0.56,1.0,0.20146837091357686,0.08559214584332808,0.14159413336988555,0.07437804125830992,0.1257581728462751
EOS-3-46981,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cnn2)c1,SWPBFTJSHWLIEH-UHFFFAOYSA-N,3,1,0.442,4,526,431.406,3.809,5,0.418,0.49,1.0,0.5867572476183949,0.5942790076074292,0.7069683366458775,0.7006202453567267,0.6471562093071072
EOS-3-46982,Cc1cc(-c2cc(Cl)cc(-c3nnc4cncc(OCc5nc(C)cs5)n34)c2)ccn1,ZQOBXSSTFFLPBU-UHFFFAOYSA-N,3,1,0.649,4,92,448.939,5.159,5,0.369,0.7,1.0,0.38321568089918445,0.5741038996641765,0.5336937153039545,0.5248183811938867,0.5039579192653005
EOS-3-46983,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cnc2Cl)ncn1,BCEABUIIZXDMEP-UHFFFAOYSA-N,3,1,0.392,92,662,447.89,3.226,5,0.378,0.56,1.0,0.3440477006373792,0.4469364676855596,0.22728051538619698,0.18004249194709068,0.2995767939140566
EOS-3-46984,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)n1,SEBNNYBSLURLDM-UHFFFAOYSA-N,3,1,0.448,44,531,479.878,4.505,5,0.354,0.69,1.0,0.8491193201288465,0.8058392159550408,0.7200243300664794,0.7564937290110342,0.7828691487903502
EOS-3-46985,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C)c5)n34)c2)nc1,NPHHLZGUCREOMT-UHFFFAOYSA-N,3,1,0.55,16,921,409.453,3.839,5,0.435,0.76,1.0,0.4847251730518813,0.2898362003975053,0.42531354944829003,0.30621616064697416,0.3765227708861627
EOS-3-46986,Cc1nc(-c2cc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)ccn2)[nH]c1F,FWJWZXZRPVXLPH-UHFFFAOYSA-N,3,1,0.59,13,110,421.823,4.47,5,0.46,0.57,1.0,0.692233225961209,0.7508224247824001,0.6558580631896375,0.7060345418408608,0.7012370639435268
EOS-3-46987,c1nc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6conn6)cc5)n34)c2)cs1,OMJLKRVPSWHKHE-UHFFFAOYSA-N,3,1,0.489,40,2,454.475,3.939,6,0.369,0.58,1.0,0.5021759989034337,0.3391816873415119,0.4361764101158248,0.382581728462751,0.4150289562058804
EOS-3-46988,COc1nc(-c2cnc(C)o2)ccc1-c1nnc2cncc(OCc3ccc(Cl)s3)n12,IZQDMHGAIYIZHD-UHFFFAOYSA-N,3,1,0.473,4,710,454.899,4.452,5,0.371,0.59,1.0,0.5808289356452607,0.6462545404701528,0.3070385854293743,0.23427112603659792,0.44209829689534647
EOS-3-46989,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cncs5)c(F)cn4)n23)ccn1,KCXBVBQXNCKYRM-UHFFFAOYSA-N,3,1,0.556,2,43,419.445,3.731,5,0.429,0.61,1.0,0.5612021108902748,0.5184702899047358,0.5134500719621684,0.4423959975327256,0.5088796175724761
EOS-3-46990,Cn1cc(-c2ccc(F)c(-c3nnc4cncc(-c5ocnc5-c5ccccc5F)n34)n2)cn1,RMJQXWREOIMOEC-UHFFFAOYSA-N,3,1,0.325,10,693,456.416,4.187,6,0.392,0.52,1.0,0.1959769721060928,0.2845675416352546,0.5438198204372559,0.5956839832773627,0.40501207936399153
EOS-3-46991,COc1ncc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1-c1ccccc1,NMKHDFRVPUGQNV-UHFFFAOYSA-N,3,1,0.474,11,275,476.899,4.671,5,0.337,0.74,1.0,0.8016585566445069,0.8134894798163251,0.6721352203413062,0.660227194846138,0.7368776129120691
EOS-3-46992,Fc1ccc(-c2nc(-c3ccc(F)c(-c4nnc5cncc(CCc6ccccn6)n45)c3)n[nH]2)cc1,QAKDIYFRZFVGIQ-UHFFFAOYSA-N,3,1,0.327,83,358,480.482,4.702,6,0.371,0.77,1.0,0.4117264066890549,0.6083715989308478,0.617623877732849,0.6837091357686245,0.580357754780344
EOS-3-46993,Cn1ncnc1-c1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)[nH]1,RWFRQOMIUWTCOI-UHFFFAOYSA-N,3,1,0.412,75,241,465.481,2.388,6,0.377,0.51,0.989,0.4184257418956891,0.13410664108011788,0.11236378589541499,0.0906980330340621,0.188898550476321
EOS-3-46995,CCOc1cc(Cl)c(-c2cncc3nnc(-c4nccnc4-c4ncc(Cl)cn4)n23)cn1,ZDCFPUZXLZNRED-UHFFFAOYSA-N,3,1,0.314,50,206,466.292,3.806,5,0.381,0.55,0.991,0.3944554862586526,0.50048831471455,0.1991124665889932,0.3027979576451237,0.3492135563018299
EOS-3-46996,CCn1cncc1-c1cccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)c1,UFTYOYSSEKRPLS-UHFFFAOYSA-N,3,1,0.446,13,374,416.872,5.12,5,0.397,0.76,1.0,0.48963402097183195,0.5741124665889932,0.727743129326297,0.7410646974162155,0.6331385785758344
EOS-3-46997,COc1nc(-c2nnc3cncc(OCc4ccc(C)nc4Cl)n23)ccc1-c1cncn1C,OPNICXMCCRUIAX-UHFFFAOYSA-N,3,1,0.427,49,456,462.901,3.531,5,0.353,0.59,0.99,0.4556832979233774,0.37298677266808306,0.3290727160578439,0.2286597902816805,0.3466006442327462
EOS-3-46998,COc1nc(-c2cnc(C)o2)ccc1-c1cncc2nnc(-c3cnc(C(C)(F)F)c(F)c3)n12,KALQKVBHJHIELH-UHFFFAOYSA-N,3,1,0.315,82,478,467.411,4.471,5,0.373,0.61,1.0,0.6713213624837229,0.6611010211774382,0.7616681516003015,0.5214944143650195,0.6538962374066206
EOS-3-46999,Cc1nc(-c2ccnc(-c3nnc4cncc(OCc5ccc(CS(C)(=O)=O)nc5)n34)c2)n[nH]1,WWTNVPRUULRDDS-UHFFFAOYSA-N,3,1,0.479,33,53,477.51,1.798,5,0.367,0.63,1.0,0.2316410801178809,0.10119251593448016,0.02986429991090398,0.015788842437118773,0.09462168460009596
EOS-3-47000,NCc1ncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4Cl)n23)c(F)c1F,ZYLMLOITZGWBTM-UHFFFAOYSA-N,3,1,0.462,68,255,453.787,3.488,4,0.352,0.55,1.0,0.7930487972037558,0.7466246316222329,0.9023199232403536,0.8840295387567678,0.8315057227057776
EOS-3-47001,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c(C)c2)o1,NPPIGCRZRMRPTF-UHFFFAOYSA-N,3,1,0.451,16,91,450.861,4.83,5,0.354,0.65,1.0,0.8467377150298129,0.8134980467411418,0.8036289493523405,0.7359159756013981,0.7999451716811734
EOS-3-47002,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)c(C)n4)n23)n1,PTDFRWKBCSZHFR-UHFFFAOYSA-N,3,1,0.368,92,690,413.445,2.573,5,0.432,0.62,1.0,0.22070111712699608,0.12015112055376602,0.10185216914536357,0.050707627989856764,0.12335300870399561
EOS-3-47003,Cn1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)nc2)c1CO,LDOBHXSBVDAUCE-UHFFFAOYSA-N,3,1,0.523,4,10,465.876,3.451,5,0.409,0.56,1.0,0.5304040161743541,0.7235282023164965,0.683100884106641,0.67474813241039,0.6529453087519704
EOS-3-47004,Fc1cccc(-c2ccncc2-c2nnc3cncc(-c4cc(F)cc(-c5cncnc5)c4)n23)c1,LJBKKLKAQSPRJZ-UHFFFAOYSA-N,3,1,0.349,41,696,463.451,5.256,6,0.355,0.7,1.0,0.26140257693098484,0.41098965115482144,0.9219467479953396,0.9377527242820917,0.6330229250908094
EOS-3-47005,Fc1ccc(F)c(-c2ccc(-c3cncc4nnc(-c5ncccc5-c5cccnc5)n34)cn2)c1,FJMLNAIVMPWLIS-UHFFFAOYSA-N,3,1,0.329,32,20,463.451,5.256,6,0.355,0.7,0.93,0.23457953532999795,0.3871564663148516,0.8547135220341306,0.8840381056815846,0.5901219073401412
EOS-3-47006,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2Cl)o1,GJPAFZQDJYDSSA-UHFFFAOYSA-N,3,1,0.536,4,554,459.318,5.097,5,0.361,0.72,1.0,0.7105664450688781,0.7851329586731547,0.5674131313823589,0.6373449386608183,0.6751143684463026
EOS-3-47007,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4Cl)n23)cn1)N1CCCCC1,VHVNRRSXAQHXHC-UHFFFAOYSA-N,3,1,0.398,78,169,487.873,4.547,5,0.394,0.82,0.993,0.22070968405181277,0.3871650332396683,0.09223151257624564,0.3028065245699404,0.25072818860941676
EOS-3-47008,CC(F)(F)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5F)cc4F)n23)cn1,ISJVFPABWKMXTJ-UHFFFAOYSA-N,3,1,0.387,96,46,450.399,5.305,5,0.348,0.71,1.0,0.38782468645055174,0.6316736344321843,0.981975190185731,0.9690305667877459,0.7426260194640533
EOS-3-47009,CCn1cnc(-c2cc(OC)c(-c3cncc4nnc(-c5ccc(-c6ccn(C)n6)cc5)n34)nn2)n1,IYKZJFGNKRUHIA-UHFFFAOYSA-N,3,1,0.365,98,63,479.508,2.936,6,0.354,0.66,0.753,0.13514323898293468,0.10120108285929683,0.053731752450140495,0.03779727229113837,0.08196833664587759
EOS-3-47010,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)sn1,FEJZPKHGSKOSTL-UHFFFAOYSA-N,3,1,0.494,2,419,453.89,4.385,5,0.39,0.61,1.0,0.49976869302995,0.5647231169899253,0.632067712973751,0.637353505585635,0.5834782571448154
EOS-3-47011,CCc1nc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ccc(CO)nc1,NEMOMHQGBJDQKI-UHFFFAOYSA-N,3,1,0.388,4,690,459.535,3.647,5,0.393,0.57,0.989,0.2965698033034062,0.25367521074635047,0.12390343362346652,0.07822459050099376,0.18809325954355424
EOS-3-47012,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)c(Cl)c1,ZSCMXAFVQHMSSU-UHFFFAOYSA-N,3,1,0.343,62,582,485.91,4.6,6,0.365,0.82,0.996,0.22071825097662942,0.3536769241313138,0.547452196559523,0.663217051607155,0.44626610581865533
EOS-3-47013,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccc2F)c(C)n1,NZSQETCSNZBFFB-UHFFFAOYSA-N,3,1,0.522,37,141,475.915,4.674,5,0.352,0.67,1.0,0.9316188061133576,0.9379668974025084,0.6414913302720855,0.6168614214241656,0.7819846138030292
EOS-3-47014,COc1nc(-c2cc(-c3nnc4cncc(OCc5cnncn5)n34)nn2C)cnc1C#N,GBVMPHLLTDJSNQ-UHFFFAOYSA-N,3,1,0.35,31,105,442.403,0.626,5,0.36,0.52,0.978,0.20990679185799466,0.1012096497841135,0.022393941470769653,0.009911932012884655,0.08585557878144062
EOS-3-47015,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)cn4)n23)n1C,UXRIMUACWRYPON-UHFFFAOYSA-N,3,1,0.304,30,301,462.492,4.763,6,0.375,0.63,0.998,0.16262593379480503,0.1988297580700432,0.3890583236241519,0.45200808717702695,0.3006305256665068
EOS-3-47016,CCc1cncc(COc2cncc3nnc(-c4cc(-c5cccnc5)cnn4)n23)c1,MJEXGOVNZPZLBM-UHFFFAOYSA-N,3,1,0.418,92,182,410.441,3.18,5,0.42,0.72,1.0,0.3832242478240011,0.25873826331300115,0.3437050236447125,0.2874631622232883,0.3182826742512508
EOS-3-47017,CCc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ccc1-c1ccccc1,RPSUSGBDJOVZNB-UHFFFAOYSA-N,3,1,0.46,57,198,443.457,5.273,5,0.358,0.72,0.999,0.6984014118292098,0.6514118292097869,0.8247292851757932,0.8265369063121102,0.750269858131725
EOS-3-47018,Clc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5ccsc5)c4)n23)s1,JEMCATYCIBGBFW-UHFFFAOYSA-N,3,1,0.489,87,778,440.941,4.646,5,0.382,0.58,1.0,0.6713299294085395,0.7235367692413132,0.40354499348913714,0.4826862449455144,0.570274484271126
EOS-3-47019,O=C(NCC1CCCN1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,NDKRHKLSOYZVQB-UHFFFAOYSA-N,3,1,0.259,63,759,483.536,1.622,6,0.36,0.64,0.999,0.06731889520937565,0.0035210060996504694,0.005285792611884038,0.008918168734151188,0.021260965663765338
EOS-3-47020,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4Cl)n23)c(F)c1,BPEXOGOFFCSJDZ-UHFFFAOYSA-N,3,1,0.456,16,772,470.295,4.612,5,0.349,0.67,1.0,0.8300150777876774,0.7807723939414708,0.8941813446645193,0.902671167157837,0.8519099958878761
EOS-3-47021,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncccc1C,NWAJDWFKTIVSGU-UHFFFAOYSA-N,3,1,0.438,49,501,473.924,4.235,5,0.324,0.68,1.0,0.6651874443149887,0.5647316839147419,0.35885134672058117,0.29357994654238917,0.47058760537317523
EOS-3-47022,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)c5)ccn4)n23)c(F)c1,KQNJOCNWCVHFCL-UHFFFAOYSA-N,3,1,0.553,57,709,445.885,5.533,5,0.355,0.78,1.0,0.7818946610924542,0.9199163868137893,0.9228976766499897,0.9309762867521074,0.8889212528270851
EOS-3-47023,COc1ncc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5nc(C)no5)n4)n23)cc1F,JRCFFTYWNVRGHD-UHFFFAOYSA-N,3,1,0.305,76,368,481.451,3.816,6,0.358,0.68,0.995,0.49977725995476663,0.4423788636830923,0.19229319443492565,0.16116955657597148,0.323904718662189
EOS-3-47024,Cc1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)sc1-c1cncc(Cl)c1,JVOINCJZLATECH-UHFFFAOYSA-N,3,1,0.427,18,840,467.917,4.427,5,0.365,0.66,1.0,0.5751661983414433,0.5741210335138098,0.35529607292166404,0.4520166541018436,0.4891499897196902
EOS-3-47025,COc1ncc(C)cc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccn1,ORRIGTDZUIJHBU-UHFFFAOYSA-N,3,1,0.426,55,879,459.897,4.193,5,0.348,0.61,1.0,0.6621804537043383,0.7279915701459804,0.5474607634843397,0.4390805976286752,0.5941783462408334
EOS-3-47026,Cc1ccc(F)c(-c2nnc3cncc(-c4cncc(-c5cccc(Cl)c5)n4)n23)c1,VBPXJIWVGWPKRU-UHFFFAOYSA-N,3,1,0.367,45,837,416.847,5.016,5,0.413,0.73,1.0,0.3298094715920773,0.4864471249400315,0.8591940237132479,0.9084024398601878,0.6459632650263861
EOS-3-47027,CCc1cncc(-c2cc(-c3nnc4cncc(-c5cnn(CC)c5)n34)c(F)cc2Cl)c1,QGHZXDQNAUJQJK-UHFFFAOYSA-N,3,1,0.295,82,859,447.905,5.092,5,0.375,0.64,1.0,0.2071739428414776,0.3490165170310465,0.7687615653485025,0.7617538208484682,0.5216764615173737
EOS-3-47028,CCc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)cn2)nc1,RDQWZYQYCGOHKI-UHFFFAOYSA-N,3,1,0.325,69,57,455.525,5.54,6,0.339,0.81,1.0,0.1596703447330546,0.17264066890548968,0.7094270440682613,0.6632256185319718,0.42624091905969436
EOS-3-47029,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4F)n23)cn1,MGWKSDXZNUVDHK-UHFFFAOYSA-N,3,1,0.279,86,459,480.442,3.749,6,0.371,0.6,1.0,0.35089267356589676,0.3778185182646837,0.4072973065588376,0.42985401960112396,0.3914656294976355
EOS-3-47030,Cc1nc(C)c(CCOc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)c(Cl)n1,FFWVQSGAERSDFT-UHFFFAOYSA-N,3,1,0.464,65,349,461.917,3.269,5,0.354,0.59,1.0,0.4029110410527037,0.39185114111438557,0.15665478719758755,0.14566342265780274,0.27427009800561986
EOS-3-47031,Cc1ncsc1-c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,TVBFJDRUEYSMBT-UHFFFAOYSA-N,3,1,0.632,4,744,434.912,4.851,5,0.393,0.65,1.0,0.7559026111986841,0.8759080940305668,0.5674216983071757,0.5835960523610445,0.6957071139743677
EOS-3-47032,CCOc1nc(-c2cncc3nnc(-c4cnc(-n5ccnc5)nc4)n23)ccc1C#N,WUHIONCAESGLKU-UHFFFAOYSA-N,3,1,0.304,50,489,410.401,2.099,5,0.427,0.72,1.0,0.21518401754506203,0.13776471797683504,0.1353574121033514,0.09456171612637927,0.14571696593790695
EOS-3-47033,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccsc4)n23)nn1C,IHRPOUVVRPAFBZ-UHFFFAOYSA-N,3,1,0.407,31,569,420.502,3.091,5,0.402,0.56,1.0,0.1326159961620177,0.009560688095401275,0.06514289630594201,0.050716194914673426,0.0645089438695086
EOS-3-47034,Clc1nccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)n1,YJZWIXPJTLRODF-UHFFFAOYSA-N,3,1,0.495,58,954,470.345,4.633,5,0.334,0.7,0.999,0.8515009252278802,0.8838067987115346,0.47186621890206293,0.545027756836406,0.688050424919471
EOS-3-47035,Cc1nc(C)c(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccccc5)n34)c2)c(C)n1,NYBUYZDLTCAGQF-UHFFFAOYSA-N,3,1,0.543,1,347,456.937,5.406,5,0.352,0.74,1.0,0.8041943663902406,0.7681961483106025,0.6057329860873141,0.567644438352409,0.6864419847851415
EOS-3-47036,Cc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc(-c2cc(F)cc(F)c2)n1,INUGEWGBYGOCFI-UHFFFAOYSA-N,3,1,0.506,59,439,464.863,5.067,5,0.338,0.7,1.0,0.773130697005003,0.8357549174148448,0.9189740250839559,0.9183486395723391,0.8615520697690356
EOS-3-47037,COc1cc(-c2nncc(C)n2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,ARCATPTUVXJGEB-UHFFFAOYSA-N,3,1,0.474,15,771,474.912,3.63,5,0.326,0.65,1.0,0.677532382975807,0.6034113494619971,0.2818004249194709,0.23740662051949832,0.45003769446919334
EOS-3-47038,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1-c1cccnn1,VKIZRQOKHQPMRZ-UHFFFAOYSA-N,3,1,0.505,28,297,477.463,3.818,6,0.353,0.64,0.992,0.6408830786101021,0.6658642313755054,0.3963744774175862,0.38566582139675143,0.5221969021999863
EOS-3-47039,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)n1,SUENPDOUROROMW-UHFFFAOYSA-N,3,1,0.527,11,848,463.328,5.177,5,0.323,0.75,1.0,0.9337605373175245,0.9365447878829415,0.7549088479199506,0.8245151120553766,0.8624323212939482
EOS-3-47040,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnc(-c5ccncn5)cn4)n23)cc1Cl,DAZZXOPSUVGGOW-UHFFFAOYSA-N,3,1,0.305,94,443,482.87,3.955,6,0.367,0.67,1.0,0.3487509423617298,0.4156329244054554,0.5834675484887945,0.6545301898430539,0.5005954012747584
EOS-3-47041,COc1cc(-c2nnc3cncc(OCc4cncc(C(F)(F)F)c4)n23)ccc1-c1cncn1C,GWNVXFGISIIAGY-UHFFFAOYSA-N,3,1,0.484,27,591,481.438,4.193,5,0.359,0.69,1.0,0.7958673154684395,0.5793725584264272,0.9630765540401618,0.8664673428825989,0.8011959427044069
EOS-3-47042,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cncnc5-c5ccccc5)n34)cc2)o1,YDPBEHAFAGFMIY-UHFFFAOYSA-N,3,1,0.341,69,220,430.471,5.484,6,0.368,0.76,1.0,0.16797169488040573,0.09493009389349599,0.6939209101500925,0.6866047563566582,0.41085686382016307
EOS-3-47043,COc1cnc(-c2scnc2-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nc1,KOVHBBFPEAVIQN-UHFFFAOYSA-N,3,1,0.359,38,983,470.543,4.504,6,0.363,0.64,1.0,0.2720341306284696,0.1605013364402714,0.18241553012130765,0.17443115619217325,0.19734553834555546
EOS-3-47044,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c(Cl)c1,WEZXFAILDIHHMR-UHFFFAOYSA-N,3,1,0.329,9,38,464.92,4.969,6,0.366,0.67,1.0,0.1847714344458913,0.289844767322322,0.7909927352477555,0.8059077513535742,0.5178791720923857
EOS-3-47045,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1nccn1C,LXCLIOPBDASHFS-UHFFFAOYSA-N,3,1,0.515,35,265,479.903,4.009,5,0.348,0.66,1.0,0.7677249674456857,0.6223356863820163,0.6694195051744226,0.5836046192858612,0.6607711945719964
EOS-3-47046,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nc2)cn1,KCHHRTKNRYXGFC-UHFFFAOYSA-N,3,1,0.314,42,818,447.527,5.347,6,0.362,0.71,1.0,0.10314577479268042,0.14508087177026935,0.5897042697553286,0.5708484682338428,0.3521948461380303
EOS-3-47047,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccc(Cl)nc6)n5)n34)cn2)n(C)n1,RVZYPFRGJFKRFH-UHFFFAOYSA-N,3,1,0.322,86,136,481.911,3.463,6,0.348,0.67,0.66,0.21245973545336166,0.2639298197519019,0.15367349736138716,0.1770269344116236,0.2017724967445686
EOS-3-47048,COc1nc(-c2nnc3cncc(OCc4ccn(C)n4)n23)ccc1-c1ncccn1,MUQJBSQLWGMCFN-UHFFFAOYSA-N,3,1,0.396,92,896,415.417,1.964,5,0.41,0.6,1.0,0.2071825097662943,0.10428517579329724,0.055642176684257416,0.020766225755602767,0.09696902199986293
EOS-3-47049,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(C(F)(F)F)nn5)ccn4)n23)cn1,VUOAYKMJPKJKHY-UHFFFAOYSA-N,3,1,0.43,46,52,468.374,3.775,5,0.284,0.7,0.999,0.6408916455349187,0.5509218011102734,0.9280378315399904,0.8406980330340621,0.7401373278048111
EOS-3-47050,Fc1cc(-c2ccccc2)cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)c1,VYSCVOIBJFIYMD-UHFFFAOYSA-N,3,1,0.642,79,650,446.432,5.497,5,0.346,0.77,1.0,0.9634620656569118,0.9792851757932972,0.9711380302926461,0.9750445480090467,0.9722324549379754
EOS-3-47051,COc1cc(-c2nnc3cncc(Cc4cnc(CCc5cccc(C)n5)nn4)n23)ccc1Cl,KFPQGFRFMRCIIR-UHFFFAOYSA-N,3,1,0.388,85,81,472.94,3.718,5,0.353,0.6,1.0,0.5328884243711877,0.5231992324035364,0.1728805428003564,0.1962425467754095,0.3563026865876225
EOS-3-47052,Fc1cc(-c2cncnc2)cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,NOWLIJBSQQULOD-UHFFFAOYSA-N,3,1,0.529,59,607,452.371,4.384,5,0.291,0.69,1.0,0.8714532931258995,0.8759166609553835,0.9786426564320472,0.9750531149338634,0.9252664313617983
EOS-3-47053,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5ccncc5)cc4Cl)n23)cc1,QETVRWAKPYDODO-UHFFFAOYSA-N,3,1,0.57,34,32,450.289,4.529,5,0.389,0.53,1.0,0.7408933589198822,0.9081539990405044,0.6858080323487081,0.792680419436639,0.7818839524364334
EOS-3-47054,Cn1cc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)cn1,QSRBTZIQCXKHNA-UHFFFAOYSA-N,3,1,0.466,16,772,470.295,4.612,5,0.349,0.68,1.0,0.6775409499006236,0.7593893495990679,0.9034336234665205,0.9095418408608046,0.8124764409567541
EOS-3-47055,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)c(C(F)F)c5)c4)n23)no1,LEOYRAQDJRDRHO-UHFFFAOYSA-N,3,1,0.511,27,183,452.396,4.805,5,0.365,0.67,1.0,0.6153622095812488,0.6180265231992325,0.9056010554451374,0.8532914125145638,0.7480703001850456
EOS-3-47056,CCn1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)c1Cl,GDRJOJAWFRDQFD-UHFFFAOYSA-N,3,1,0.489,16,772,467.867,4.58,5,0.363,0.65,1.0,0.5021845658282503,0.6462631073949695,0.7974436296347063,0.8168134466451923,0.6906761873757796
EOS-3-47057,Cc1nn(C)c(C)c1-c1cnnc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)c1,XAEDDPLSTJTREC-UHFFFAOYSA-N,3,1,0.517,92,52,481.442,3.591,5,0.375,0.66,1.0,0.4672657802755123,0.527671167157837,0.6616664382153382,0.4330666164073744,0.5224175005140155
EOS-3-47058,COc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1ccccn1,ILVUWJRIEINCBM-UHFFFAOYSA-N,3,1,0.448,49,501,461.432,3.552,5,0.339,0.55,0.998,0.7846275101089712,0.6180350901240491,0.5337022822287711,0.4390891645534919,0.5938635117538209
EOS-3-47059,FC(F)OCc1cc(Cl)cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)c1,PQWCPZFYRZITHV-UHFFFAOYSA-N,3,1,0.312,96,121,465.851,4.703,5,0.359,0.65,0.341,0.38550304982523476,0.5509303680350901,0.9219553149201563,0.9204475361524227,0.6947090672332259
EOS-3-47060,CCn1nc(-c2sc(C)nc2C)nc1-c1cncc2nnc(-c3cnc(Cl)nc3)n12,CQMDBAQMQRMJIK-UHFFFAOYSA-N,3,1,0.276,50,489,438.908,3.253,5,0.393,0.51,0.997,0.0860119251593448,0.17264923583030636,0.0035552737989171406,0.003640943047083819,0.06646434445891304
EOS-3-47061,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnc(Cl)c5F)nc4)n23)cn1,MOONUVOVBCTCBP-UHFFFAOYSA-N,3,1,0.495,55,879,476.859,3.114,5,0.369,0.56,1.0,0.6681087656774725,0.4864556918648482,0.5202779110410527,0.4737680762113632,0.5371526111986842
EOS-3-47062,Clc1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5Cl)nn4)n23)c(Cl)c1,HKTCWXHWFVNNJL-UHFFFAOYSA-N,3,1,0.589,34,612,472.723,4.911,5,0.361,0.74,1.0,0.36471112329518196,0.6804708381879241,0.7687701322733191,0.90029812898362,0.6785625556850112
EOS-3-47063,Cc1cc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)ccn1,SBILDFLSRJBSFI-UHFFFAOYSA-N,3,1,0.443,18,466,410.441,2.968,5,0.421,0.69,1.0,0.5328969912960044,0.25874683023781786,0.2962528270851895,0.2549859502433007,0.33572064971557813
EOS-3-47064,Cc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)c(-c2cnccn2)n1,PETLWFASCYBBDD-UHFFFAOYSA-N,3,1,0.531,65,324,410.441,2.968,5,0.421,0.69,1.0,0.5509560688095402,0.459949626482078,0.21325645946131178,0.17703550133644028,0.35029941402234255
EOS-3-47065,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)cn1,JWISSCPYIFYRNN-UHFFFAOYSA-N,3,1,0.36,6,119,471.481,4.037,6,0.371,0.59,0.999,0.47236310054142966,0.47776883010074706,0.32908128298266054,0.34065519840997877,0.40496710300870403
EOS-3-47066,COc1cc(-c2ncncn2)ccc1-c1nnc2cncc(OCCc3ccnc(C)c3Cl)n12,WDWXSYUVVZGWJV-UHFFFAOYSA-N,3,1,0.495,15,771,474.912,3.63,5,0.349,0.58,1.0,0.7646837091357687,0.6411572202042355,0.43618497704064146,0.33426427249674456,0.5440725447193475
EOS-3-47067,Clc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c1,OURSWLYSHLEREV-UHFFFAOYSA-N,3,1,0.527,11,111,463.328,5.177,5,0.323,0.72,1.0,0.7846360770337879,0.867418271537249,0.817490233705709,0.8698512781851826,0.8348489651154821
EOS-3-47068,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)nnc2Cl)cn1,ODWIZIOSZKQUIO-UHFFFAOYSA-N,3,1,0.489,13,251,471.283,4.703,5,0.367,0.67,1.0,0.4921526968679323,0.5741296004386266,0.680522239736824,0.7617623877732849,0.6271417312041669
EOS-3-47069,Cc1nnc(-c2cncc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)c2)s1,PNFJEAOPSCCXQD-UHFFFAOYSA-N,3,1,0.455,13,995,456.318,5.112,5,0.371,0.72,1.0,0.5122335686382017,0.5895671989582619,0.5541943663902406,0.6718268110479062,0.5819554862586527
EOS-3-47070,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cccnc1Cl,IFQOLJJHZDDKJS-UHFFFAOYSA-N,3,1,0.578,34,929,467.291,5.273,5,0.328,0.79,1.0,0.8888098828044685,0.9716092111575629,0.8786152422726338,0.9172263724213556,0.9140651771640051
EOS-3-47071,OCc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)nc1,CNGURPCGIRBCQT-UHFFFAOYSA-N,3,1,0.464,27,69,480.41,3.186,5,0.374,0.66,0.997,0.7199129600438626,0.8212254129257761,0.6694280720992393,0.5676530052772257,0.694554862586526
EOS-3-47072,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(Cl)c5)s4)n23)cc1,CMYZDRBATVOCBG-UHFFFAOYSA-N,3,1,0.6,97,232,455.33,5.196,5,0.339,0.76,1.0,0.879386265506134,0.8990216571859365,0.6939294770749092,0.790410184360222,0.8156868960318004
EOS-3-47073,Fc1cccc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(Cl)cn5)c4)n23)c1F,ZDMCBQROZQFCSR-UHFFFAOYSA-N,3,1,0.533,84,73,465.851,4.196,5,0.371,0.56,1.0,0.8813309574395175,0.9102186279213214,0.8321482420670276,0.8617726680830649,0.8713676238777328
EOS-3-47074,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccsc6)n5)n34)cn2)cc1,MWOKNGNILQSNOM-UHFFFAOYSA-N,3,1,0.329,30,93,432.512,5.644,6,0.36,0.82,1.0,0.11332328147488177,0.14899595641148652,0.6057415530121307,0.6571259680625042,0.38129668974025077
EOS-3-47075,Fc1ccc(-n2cnnc2-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)cc1,HGWQYTBNGGEUED-UHFFFAOYSA-N,3,1,0.372,83,950,467.895,5.499,6,0.342,0.81,1.0,0.049902337057089984,0.3490250839558632,0.862312384346515,0.9267613597423069,0.5470002912754438
EOS-3-47076,COC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(C)n5C)nc4)n23)cn1,LVFQFFLLTLXSJO-UHFFFAOYSA-N,3,1,0.511,92,185,479.451,2.96,5,0.347,0.65,0.919,0.5198238640257693,0.48646425878966487,0.5474693304091564,0.3470889589472963,0.47521160304297166
EOS-3-47077,Cc1nsc(COc2cncc3nnc(-c4ccc(-c5ncc(=N)[nH]n5)nc4)n23)n1,IFSURSGBZLBPLY-UHFFFAOYSA-N,3,1,0.408,7,85,419.434,1.19,5,0.427,0.62,1.0,0.3245408128298266,0.31521143170447535,0.009406483448701253,0.003897950791583853,0.16326416969364677
EOS-3-47078,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(CO)cn4)n23)cnn1,ONVHFDAAMARAKM-UHFFFAOYSA-N,3,1,0.435,53,760,417.393,0.238,5,0.404,0.62,0.983,0.33929305736412857,0.12383489822493318,0.025400932081420052,0.020774792680419436,0.1273259200877253
EOS-3-47079,CCOc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)nc5)n34)cn2)cc1,YFVLGEOJPXKYMA-UHFFFAOYSA-N,3,1,0.341,32,20,471.524,5.376,6,0.322,0.81,1.0,0.24004523336303202,0.2130080186416284,0.6414998971969021,0.5708570351586595,0.4163525460900555
EOS-3-47080,Fc1cscc1-c1cccnc1-c1nnc2cncc(-c3ccc(-c4ccccn4)cn3)n12,PQPPGPXRCGUUJF-UHFFFAOYSA-N,3,1,0.319,32,687,451.49,5.178,6,0.367,0.67,0.997,0.24005380028784867,0.32500342676992666,0.5961979987663628,0.6517545062024536,0.45325243300664797
EOS-3-47081,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c1,SXJSOWJBSZDWCX-UHFFFAOYSA-N,3,1,0.512,11,201,448.939,4.893,5,0.344,0.68,1.0,0.7760605852923035,0.7682047152354191,0.5064166266876842,0.5115567815776849,0.6405596771982729
EOS-3-47082,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnncn5)n4)n23)ncn1,BAALQGXSNXDUSC-UHFFFAOYSA-N,3,1,0.369,7,726,482.443,1.947,6,0.343,0.64,0.329,0.3986618463436365,0.2792988828730039,0.15996162017682133,0.14308477828798574,0.24525178192036187
EOS-3-47083,FC(F)c1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)s1,YPITWTDGMWEOSM-UHFFFAOYSA-N,3,1,0.452,27,69,472.868,4.27,5,0.361,0.64,1.0,0.5379514769378384,0.728000137070797,0.49240970461243233,0.46767699266671237,0.556509577821945
EOS-3-47084,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)cnc1F,HPFWXSDHMSFXGP-UHFFFAOYSA-N,3,1,0.577,90,255,423.757,4.635,4,0.346,0.73,1.0,0.952110890274827,0.970264203961346,0.9924354053868824,0.9917671852511822,0.9766444212185594
EOS-3-47085,CC(C)(N)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnnc5)cn4)n23)cn1,WMENVBPXQJUCHA-UHFFFAOYSA-N,3,1,0.354,82,336,409.457,2.899,5,0.481,0.67,1.0,0.1653416489616887,0.07164519224179289,0.4214584332807895,0.2518675896100336,0.2275782160235762
EOS-3-47086,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cnc(F)cn5)cn4)n23)nc1,LBHRZRXVIWUKOI-UHFFFAOYSA-N,3,1,0.327,85,580,412.432,3.271,5,0.437,0.61,1.0,0.3393016242889452,0.36330614762524843,0.2889538071413885,0.27883626893290386,0.3175994619971215
EOS-3-47087,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,VMXOGEVJHWZSOG-UHFFFAOYSA-N,3,1,0.634,59,607,466.879,5.185,5,0.344,0.72,1.0,0.8145946131176752,0.7807809608662875,0.932869577136591,0.9267699266671235,0.8637537694469194
EOS-3-47088,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,DVJQUKJVMSGWPC-UHFFFAOYSA-N,3,1,0.494,65,858,410.441,2.968,5,0.421,0.7,1.0,0.6437272976492359,0.41099821807963816,0.28527859639503805,0.222560139812213,0.39064106298403123
EOS-3-47089,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c(F)cn1,GIFIVFSEKYYJQO-UHFFFAOYSA-N,3,1,0.483,24,912,417.379,3.501,5,0.404,0.6,1.0,0.8349324926324446,0.690271400178192,0.7432321293948324,0.7090158316770612,0.7443629634706326
EOS-3-47090,COc1nc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1ncccn1,QLLFIWAFPNOMIJ-UHFFFAOYSA-N,3,1,0.41,49,896,478.875,3.461,5,0.347,0.6,0.999,0.781903228017271,0.6706702761976561,0.2889623740662052,0.2848074155301213,0.5065858234528133
EOS-3-47091,Fc1cc(-c2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)sc1F,XIULCBQPLOJYJH-UHFFFAOYSA-N,3,1,0.556,73,539,462.894,4.882,5,0.37,0.71,1.0,0.7677335343705024,0.8759252278802001,0.5134586388869852,0.6718353779727229,0.7072381947776025
EOS-3-47092,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c(F)c2)n1,HGZOZYBMVIMVAH-UHFFFAOYSA-N,3,1,0.477,13,451,448.889,5.393,5,0.368,0.76,1.0,0.6742683846206565,0.7552943595367007,0.8355150435199781,0.8078524432869577,0.7682325577410734
EOS-3-47093,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ncc5Cl)n34)ncn2)cn1,CXDXDWUMISNYMI-UHFFFAOYSA-N,3,1,0.436,18,194,466.839,3.591,5,0.35,0.55,1.0,0.7846446439586047,0.7851415255979713,0.720032896991296,0.7410732643410322,0.7577230827222261
EOS-3-47094,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3cncc(Cl)n3)n12,PSIWXJZJOYWUGE-UHFFFAOYSA-N,3,1,0.424,20,804,463.889,2.66,5,0.359,0.53,0.996,0.5146408745116853,0.4245939277636899,0.07377835652114317,0.060653827702008084,0.2684167466246316
EOS-3-47095,Cc1cc(-c2cncc(-c3nnc4cncc(COc5cccc(-c6cccnn6)n5)n34)c2)[nH]n1,SVCSTIIXYNNUFF-UHFFFAOYSA-N,3,1,0.286,6,218,462.477,3.316,6,0.396,0.51,0.96,0.3270937564251936,0.2536837776711672,0.2666284010691522,0.20520355013364402,0.26315237132478925
EOS-3-47096,c1ccc(-c2nc(-c3cc(-c4nnc5cncc(OCc6nccs6)n45)ccn3)cs2)nc1,QQSXTVPYVCNDFU-UHFFFAOYSA-N,3,1,0.662,28,297,470.543,4.407,6,0.353,0.69,1.0,0.2938026865876225,0.3918597080392022,0.12953190322801728,0.12548831471455008,0.23517065314234803
EOS-3-47097,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cnc2Cl)on1,GQQIGCCVFUVEFR-UHFFFAOYSA-N,3,1,0.474,87,132,469.292,3.868,5,0.342,0.67,1.0,0.6350147351106846,0.6658727983003221,0.32180796381330956,0.3921167157837023,0.5037030532520047
EOS-3-47098,CCc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(C)n2)s1,QROQUIGHQHZYHR-UHFFFAOYSA-N,3,1,0.441,4,617,464.942,4.203,5,0.368,0.61,1.0,0.39867041326845315,0.5647402508395586,0.0944503461037626,0.10067850044548009,0.2896348776643136
EOS-3-47099,CCc1nc(-c2cccc(C)n2)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1CC,SXBCYCQQGIBKJP-UHFFFAOYSA-N,3,1,0.392,22,140,443.942,5.261,5,0.37,0.74,0.676,0.3218764992118429,0.40162600233020357,0.13536597902816805,0.24885203207456652,0.2769301281611952
EOS-3-47100,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cnnc(-c5cccnc5)c4)n23)c1,FWCFLSUKXQJJRQ-UHFFFAOYSA-N,3,1,0.48,87,778,448.849,3.452,5,0.364,0.5,1.0,0.8170790213145089,0.8617469673086149,0.5638064560345418,0.6200054828318826,0.7156594818723871
EOS-3-47101,Cc1cncc(CCOc2cncc3nnc(-c4cnnc(-c5ccsc5)c4)n23)n1,HNAGFLUHTIPQEW-UHFFFAOYSA-N,3,1,0.446,65,658,416.47,3.03,5,0.416,0.58,1.0,0.4896425878966486,0.3633147145500651,0.10705229250908094,0.10694948941128092,0.2667397710917689
EOS-3-47102,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cncc(Cl)c5)ncc4Cl)n23)cc1,NSXXFTKOBMCOBX-UHFFFAOYSA-N,3,1,0.636,59,89,467.291,5.273,5,0.35,0.73,1.0,0.9750188472345966,0.9716177780823796,0.9336577342197245,0.9547409361935439,0.9587588239325613
EOS-3-47103,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1cnn(CC)c1,HWMLHMYTXYZBMZ-UHFFFAOYSA-N,3,1,0.369,92,690,458.501,4.054,5,0.363,0.6,0.998,0.34651497498457956,0.28457610856007126,0.2852871633198547,0.1882067712973751,0.27614625454047015
EOS-3-47104,Cc1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5ccnc(Cl)c5)n4)n23)cc1C,VYDWIQSIYGZFEO-UHFFFAOYSA-N,3,1,0.446,4,43,461.888,4.632,5,0.352,0.63,1.0,0.6863991501610582,0.7280087039956137,0.6776951545473237,0.6402748269481187,0.6830944589130286
EOS-3-47105,CCc1nc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1ncc(C)cn1,JMVTVWUXYBKNPU-UHFFFAOYSA-N,3,1,0.402,46,717,476.903,4.281,5,0.357,0.64,1.0,0.6208279076142827,0.6611095881022548,0.33644883832499484,0.34709752587211296,0.4913709649784114
EOS-3-47106,Cc1cc(Cc2cncc3nnc(-c4cc(-c5nc(C)c(F)[nH]5)ccc4F)n23)n(C)n1,GUFKAUMVSJRZDE-UHFFFAOYSA-N,3,1,0.313,85,784,420.427,3.401,5,0.481,0.55,0.275,0.14584332807895278,0.26393838667671854,0.4103471317935714,0.38259029538756767,0.3006797854842026
EOS-3-47107,c1cc(-c2ncsn2)nc(-c2cncc3nnc(-c4ccnnc4-c4cscn4)n23)c1,IRHRHXBYICBMLZ-UHFFFAOYSA-N,3,1,0.273,76,557,442.493,3.285,6,0.405,0.48,1.0,0.07710232335001029,0.0822082105407443,0.04471934754300596,0.07251045164827634,0.06913508327050923
EOS-3-47108,CCn1cncc1-c1cncc(-c2nnc3cncc(COc4cccc(C)n4)n23)c1,ITJSOEMOMMAVIR-UHFFFAOYSA-N,3,1,0.302,85,328,412.457,3.352,5,0.422,0.67,0.963,0.16263450071962168,0.11108731409773148,0.25251867589610033,0.1505979713522034,0.16920961551641422
EOS-3-47109,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(Cl)c(F)c4)n23)c(F)c1,COXRXLWYDYXZBM-UHFFFAOYSA-N,3,1,0.355,45,102,437.812,5.591,5,0.369,0.73,1.0,0.4231204166952231,0.7052121170584607,0.9803988760194641,0.9912960043862655,0.7750068535398533
EOS-3-47110,Cc1ccc(-c2nnc3cncc(-c4ncccc4OCc4ccc(Cl)c(Cl)c4)n23)nc1,LFRKVCBKTILOMG-UHFFFAOYSA-N,3,1,0.381,44,586,463.328,5.443,5,0.345,0.76,0.998,0.47747755465698033,0.4777773970255637,0.8265283393872935,0.8515951614008636,0.6583446131176752
EOS-3-47111,Fc1cc(-c2ccsc2)cnc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,JJZPYHZVSWBHHN-UHFFFAOYSA-N,3,1,0.551,13,417,423.86,5.5,5,0.382,0.8,1.0,0.8975995476663697,0.935114111438558,0.8772445343019669,0.9014717976835035,0.9028574977725996
EOS-3-47112,COc1cc(-c2nnc3cncc(OCc4cc(Cl)nn4C)n23)ccc1-c1ccnc(F)c1,VGQPMCVCEXVGMC-UHFFFAOYSA-N,3,1,0.448,4,83,465.876,3.967,5,0.35,0.59,1.0,0.477486121581797,0.6316822013570009,0.6914108011788088,0.6168699883489822,0.6043622781166472
EOS-3-47113,CCn1cncc1-c1ccnc(-c2nnc3cncc(OCc4c(C)noc4C)n23)c1,GFLZAVDYKFWMHH-UHFFFAOYSA-N,3,1,0.415,31,211,416.445,3.254,5,0.415,0.61,1.0,0.12402337057089986,0.05637893221849085,0.08011788088547735,0.0427660886848057,0.07582156808991844
EOS-3-47114,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5nccnc5-c5ccccc5)n34)s2)n1C,XUYTWKDNDCOACN-UHFFFAOYSA-N,3,1,0.287,39,854,465.546,4.005,6,0.379,0.56,0.384,0.10038722500171339,0.06023404838599136,0.032125968062504284,0.05205263518607361,0.061199969159070666
EOS-3-47115,Fc1cc(-c2nncs2)cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c1,XBVIVSAOHTXZMK-UHFFFAOYSA-N,3,1,0.477,59,772,457.853,4.215,5,0.365,0.59,1.0,0.7229542183537797,0.7553029264615174,0.807715372489891,0.8326708244808444,0.7796608354465081
EOS-3-47116,Cc1ccc(-c2cnc(-c3nnc4cncc(OCc5ncccn5)n34)nc2C)nc1,QDZZWNDQZHWUQO-UHFFFAOYSA-N,3,1,0.368,51,48,411.429,2.629,5,0.43,0.63,1.0,0.32454937975464326,0.12384346514974985,0.051718525118223564,0.03469604550750462,0.13370185388253034
EOS-3-47117,Cc1nc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)s1,CSYMEEXSBMWFAD-UHFFFAOYSA-N,3,1,0.53,11,684,454.968,4.955,5,0.361,0.68,1.0,0.7559111781235008,0.8058477828798575,0.159970187101638,0.22529298882873003,0.4867555342334316
EOS-3-47118,Cc1nc(-c2ccc(F)cn2)c(-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)s1,WGWLVUVYKHABJN-UHFFFAOYSA-N,3,1,0.297,32,977,467.493,4.276,6,0.378,0.58,1.0,0.2263467205811802,0.33418717017339455,0.15997875402645467,0.2142587896648619,0.23369285861147282
EOS-3-47119,CCOc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3ncc(Cl)cn3)n12,GJISQHYZWMXOLS-UHFFFAOYSA-N,3,1,0.576,91,955,472.936,4.922,5,0.316,0.74,1.0,0.6742769515454733,0.5846497841134947,0.4857103694057981,0.4949369474333493,0.5598935131245288
EOS-3-47120,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)c(F)n1,YDMCHRGYUJZRAZ-UHFFFAOYSA-N,3,1,0.473,24,338,452.812,3.549,5,0.294,0.64,1.0,0.7291138372969639,0.8135066136659584,0.6145911863477486,0.6545387567678707,0.7029375985196354
EOS-3-47121,CCCc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(C)c5)n34)ccn2)cn1,OPZBPCSOMDIYTD-UHFFFAOYSA-N,3,1,0.529,75,530,452.522,3.921,5,0.349,0.58,1.0,0.48965115482146526,0.315219998629292,0.1631570831334384,0.10695805633609759,0.26874657323007334
EOS-3-47122,Cc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cc(F)ccn5)nc4Cl)n23)cn1,VPQMGAMGQVFBIO-UHFFFAOYSA-N,3,1,0.473,24,28,465.851,4.462,5,0.354,0.62,1.0,0.8602134877664314,0.8289613460352272,0.8036375162771572,0.8059163182783908,0.8246821670893016
EOS-3-47123,Cn1nc(-c2cccc(F)c2)cc1-c1nnc2cncc(OCc3ncn(-c4cccs4)n3)n12,JMEOPABJSZRLSE-UHFFFAOYSA-N,3,1,0.382,44,975,473.497,3.552,6,0.365,0.62,0.987,0.13262456308683435,0.24380611335754918,0.15666335412240423,0.20214515797409363,0.18380979713522033
EOS-3-47124,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)ccn2)nn1,LPIURLQNGNHOKO-UHFFFAOYSA-N,3,1,0.446,24,241,432.394,3.204,5,0.39,0.49,1.0,0.7044153930505106,0.6034199163868138,0.6057501199369474,0.5450363237612227,0.6146554382838737
EOS-3-47125,Clc1cc(CCCOc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)ccn1,ATZZSBWKCJUZEN-UHFFFAOYSA-N,3,1,0.449,87,142,444.886,3.703,5,0.276,0.67,1.0,0.7167431978616956,0.7280172709204304,0.3853574121033514,0.43909773147830855,0.5673039030909465
EOS-3-47126,Cc1ccnc(Oc2cncc3nnc(-c4ccc(-c5ccc(C(F)F)nc5)cc4F)n23)c1,KPAYZRJGYGDIMR-UHFFFAOYSA-N,3,1,0.368,13,412,448.408,5.426,5,0.357,0.74,1.0,0.8579261188403811,0.8920053457610856,0.9463710506476595,0.9061836063326708,0.9006215303954492
EOS-3-47127,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ocnc4-c4ccccc4)n23)cc1,PLCRRGRIEZRKNI-UHFFFAOYSA-N,3,1,0.28,30,220,417.432,4.57,6,0.415,0.64,0.867,0.10039579192653006,0.05638749914330752,0.37799842368583375,0.47960215201151396,0.2535959666917963
EOS-3-47128,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(=N)[nH]n5)c(F)c4)n23)on1,CYONHDBEXBZGNR-UHFFFAOYSA-N,3,1,0.553,47,256,419.38,2.07,5,0.441,0.63,1.0,0.7229627852785964,0.5604310876567747,0.24510828592968267,0.1854139538071414,0.4284790281680488
EOS-3-47129,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c(F)c1,MARKAWNUNUTEQZ-UHFFFAOYSA-N,3,1,0.477,16,772,453.84,4.097,5,0.373,0.57,1.0,0.7259269412651634,0.7422297991912823,0.8825645946131176,0.8713504900280995,0.8055179562744157
EOS-3-47130,COc1ncc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ncc(Cl)cn1,LSJDHCIUXKKEKZ-UHFFFAOYSA-N,3,1,0.414,51,196,482.291,3.328,5,0.356,0.69,1.0,0.6588307861010212,0.6131690768281818,0.2062230141868275,0.22256870673702966,0.425197895963265
EOS-3-47131,COc1ncc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1-c1ccc(F)c(F)c1,LMZWOSOQRSXTQI-UHFFFAOYSA-N,3,1,0.522,88,657,478.434,4.296,5,0.345,0.7,1.0,0.9132598862312384,0.8968199575080529,0.889443835240902,0.8480313206771297,0.8868887499143308
EOS-3-47132,Clc1ncccc1-c1ncsc1-c1cncc2nnc(-c3cncnc3-c3ccccn3)n12,STMKGTAQOIYCPI-UHFFFAOYSA-N,3,1,0.282,94,892,469.921,4.482,6,0.348,0.65,0.821,0.09569255020217943,0.24878349667603317,0.24171578370228222,0.3633746830237818,0.23739162840106914
EOS-3-47133,Cc1nn(C)cc1-c1ncccc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cc3)n12,JEEGJMWWBILSJD-UHFFFAOYSA-N,3,1,0.301,9,787,479.935,4.673,6,0.362,0.7,0.7,0.11333184839969844,0.17704406826125693,0.4253221163731067,0.45202522102666026,0.2919308135151806
EOS-3-47134,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cc1Cl,SLVDQPFWBRNGID-UHFFFAOYSA-N,3,1,0.346,3,340,472.871,4.701,6,0.366,0.63,1.0,0.2827342197244877,0.38262456308683435,0.7888253032691385,0.8059248852032075,0.5650272428209171
EOS-3-47135,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ncccc5F)cnn4)n23)c1,GKNHTCWJFQGUDA-UHFFFAOYSA-N,3,1,0.424,18,873,462.876,3.761,5,0.351,0.55,0.999,0.7105750119936948,0.6658813652251387,0.4647556713042286,0.5248269481187033,0.5915097491604414
EOS-3-47136,Cn1cncc1-c1cc(Cl)ccc1-c1nnc2cncc(Cc3cnc(C(C)(C)C)cn3)n12,FGBYVCBHHGSOHD-UHFFFAOYSA-N,3,1,0.333,85,674,458.957,4.524,5,0.393,0.58,1.0,0.24534815982454938,0.38717360016448493,0.4786083887327805,0.3310773764649441,0.36055188129668975
EOS-3-47137,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)cnn2)c1,DNJXGFRYOPTTPM-UHFFFAOYSA-N,3,1,0.484,37,490,465.851,4.196,5,0.371,0.54,1.0,0.7958758823932561,0.8556644506887807,0.7711174696730861,0.8387447741758618,0.8153506442327462
EOS-3-47138,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5C(F)F)c(C)n4)n23)cn1,CAESMNHVDMBWLX-UHFFFAOYSA-N,3,1,0.529,27,348,459.46,4.777,5,0.361,0.62,1.0,0.6681173326022891,0.48186382016311424,0.7200414639161127,0.5612278116647248,0.6078126070865603
EOS-3-47139,Cc1cc(-c2nnc3cncc(-c4ncc(F)c(-c5cccnc5F)n4)n23)cc(C)n1,VGWXBEUGTJFNDY-UHFFFAOYSA-N,3,1,0.31,50,261,416.395,3.6,5,0.415,0.57,1.0,0.3015386196970735,0.33919025426632854,0.41772325406072236,0.41073264341032145,0.3672961928586115
EOS-3-47140,Cc1ccccc1-c1cc(-c2nnc3cncc(OCc4cncs4)n23)ccc1F,SCNJSNKWJRYYNP-UHFFFAOYSA-N,3,1,0.556,1,709,417.469,4.941,5,0.405,0.77,1.0,0.9086251799054211,0.8289699129600439,0.797452196559523,0.7740216571859365,0.8272672366527312
EOS-3-47141,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)nc4C)n23)c1,DVMZOUHFHBYXIE-UHFFFAOYSA-N,3,1,0.452,31,456,460.929,3.874,5,0.355,0.58,1.0,0.5404787197587554,0.5004968816393668,0.3106452607771914,0.2697895963265026,0.4053526146254541
EOS-3-47142,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)cc1,XAWWKDZNOYTHKR-UHFFFAOYSA-N,3,1,0.41,89,398,481.476,1.746,6,0.365,0.64,1.0,0.41388527174285517,0.11387156466314852,0.12954047015283393,0.09259989034336234,0.18747429922555
EOS-3-47143,Fc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4cscn4)c3)n12,AVRJNNKFCPZHBM-UHFFFAOYSA-N,3,1,0.506,65,778,420.433,2.86,5,0.413,0.53,1.0,0.6153707765060654,0.5895757658830786,0.31820128846549245,0.32779624426016035,0.4627360187786992
EOS-3-47144,COc1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1-c1cc(F)c(C)cn1,YIKHOGOYEFOBKZ-UHFFFAOYSA-N,3,1,0.449,16,401,477.887,4.332,5,0.356,0.67,1.0,0.8016671235693236,0.6950603111507093,0.714541498183812,0.6200140497566994,0.7078207456651361
EOS-3-47145,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(OCc5ccc(Cl)cc5)nc4)n23)cc1F,IBABQDVYLQUJHA-UHFFFAOYSA-N,3,1,0.398,96,648,489.898,3.979,5,0.384,0.85,1.0,0.5612106778150915,0.5184788568295524,0.6993266397094099,0.6314166266876842,0.6026082002604345
EOS-3-47146,Fc1ncccc1-c1cc(Cl)nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,ZVFYMDBWFRWNKF-UHFFFAOYSA-N,3,1,0.56,57,232,467.291,5.273,5,0.328,0.8,1.0,0.9456428620382428,0.9759355081899801,0.9171321362483723,0.9386094167637585,0.9443299808100885
EOS-3-47147,COc1nc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1ncc(F)cn1,NDVOFEMMPLXRAO-UHFFFAOYSA-N,3,1,0.415,73,896,482.838,3.558,5,0.358,0.66,0.996,0.6805136728120074,0.6902799671030087,0.5202864779658694,0.48880302926461516,0.5949707867863752
EOS-3-47148,CCn1cncc1-c1ccc(F)c(-c2nnc3cncc(OCCc4ncc(C)nc4Cl)n23)c1,UYGBQXQQXOJJTE-UHFFFAOYSA-N,3,1,0.444,26,448,478.919,4.187,5,0.346,0.7,1.0,0.5304125830991707,0.5509389349599068,0.34371359056952916,0.3665872798300322,0.44791309711465976
EOS-3-47149,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)cnn2)cc1,KYRIDJDTQRUNNG-UHFFFAOYSA-N,3,1,0.523,34,772,435.369,3.64,5,0.389,0.5,1.0,0.7703121787403193,0.8357634843396614,0.8836525940648345,0.8868737577959016,0.8441505037351792
EOS-3-47150,Cc1cccc(-c2nn(C)cc2-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4Cl)n23)n1,WYCJDZFYRZVIPI-UHFFFAOYSA-N,3,1,0.303,98,765,482.939,4.011,6,0.374,0.67,1.0,0.12403193749571653,0.25369234459598383,0.2666369679939689,0.30281509149475705,0.23679408539510657
EOS-3-47151,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)nn4)n23)cc1,DOVLJRQZLILOGX-UHFFFAOYSA-N,3,1,0.349,93,641,430.471,5.484,6,0.368,0.76,1.0,0.1403262284970187,0.11681001987526557,0.7200500308409293,0.72498457953533,0.4255427146871359
EOS-3-47152,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)ccn1,NLSKVVAOUOBQGE-UHFFFAOYSA-N,3,1,0.415,92,662,415.461,2.691,5,0.42,0.6,1.0,0.15718593653622095,0.08221677746556096,0.0922400795010623,0.045404701528339385,0.09426187375779589
EOS-3-47153,Fc1cc(-c2nnc3cncc(C(F)(F)c4cc(F)c(F)nc4F)n23)ccc1Cl,CNMLWTGHTGCIOW-UHFFFAOYSA-N,3,1,0.407,23,627,429.711,4.536,4,0.354,0.63,1.0,0.5329055582208211,0.785150092522788,0.9995545199095333,0.99976869302995,0.8293447159207731
EOS-3-47154,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccc2Cl)ccn1,HCUUNVIKVRNYER-UHFFFAOYSA-N,3,1,0.483,4,253,464.316,4.838,5,0.368,0.66,1.0,0.6955057912411761,0.8703481598245494,0.7711260365979028,0.7926889863614557,0.782417243506271
EOS-3-47155,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5F)ncn4)n23)n(C)n1,MSMJFGOZJKQLKB-UHFFFAOYSA-N,3,1,0.379,44,488,468.855,3.801,5,0.362,0.59,0.756,0.3740576382701665,0.47778596395038037,0.6640651771640053,0.657134534987321,0.5432608285929683
EOS-3-47156,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)cc(Cl)c2F)cn1,BLLKVAGFNHJDTK-UHFFFAOYSA-N,3,1,0.534,65,361,462.876,3.761,5,0.375,0.51,1.0,0.917294907819889,0.9365533548077583,0.6694366390240559,0.6430676444383524,0.7915881365225139
EOS-3-47157,CCc1nc(-c2nnc3cncc(OCc4cc(F)nc(C)c4F)n23)ccc1-c1ncccn1,QXYRJFUCVQKFFG-UHFFFAOYSA-N,3,1,0.37,46,717,460.448,3.766,5,0.353,0.57,1.0,0.6320163114248509,0.5460900555136728,0.3330220683983277,0.2788448358577205,0.44749331779864293
EOS-3-47158,COCc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)cn5)n34)nc2)n1,LVNKOEDZQUOHPT-UHFFFAOYSA-N,3,1,0.252,70,813,476.504,3.252,6,0.356,0.59,0.999,0.07132821602357618,0.0752090329655267,0.23460523610444795,0.19098245493797547,0.14303123500788156
EOS-3-47159,Cc1c(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc(F)c1-c1ccncc1,DIZVLEBDCRIORX-UHFFFAOYSA-N,3,1,0.517,11,490,460.9,4.971,5,0.356,0.66,1.0,0.8537283256802138,0.8729953395928998,0.795104859159756,0.8146888492906587,0.8341293434308821
EOS-3-47160,Cn1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1cnc(CO)cn1,MSSZPPVWGOASKX-UHFFFAOYSA-N,3,1,0.365,51,924,450.85,1.496,5,0.404,0.5,1.0,0.3740662051949832,0.284584675484888,0.06136488246179152,0.06522856555410869,0.19631108217394286
EOS-3-47161,c1csc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cncs6)nc5)n34)nc2)n1,KIJNKBXGXUHLMR-UHFFFAOYSA-N,3,1,0.538,28,667,470.543,4.407,6,0.353,0.66,1.0,0.44146220272770886,0.4818723870879309,0.2557826742512508,0.21964738537454595,0.34969116236035913
EOS-3-47162,Cc1noc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)n1,FYNOOESNKKBBEC-UHFFFAOYSA-N,3,1,0.484,65,858,418.392,2.7,5,0.384,0.63,1.0,0.6496984442464533,0.5005054485641834,0.25944075114796794,0.22257727366184635,0.4080554794051128
EOS-3-47163,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnc(Cl)n6C)n5)n34)cc2)n1,QIDPFBHVERCNQH-UHFFFAOYSA-N,3,1,0.309,98,865,481.911,3.463,6,0.372,0.61,1.0,0.19878692344595983,0.26909567541635254,0.08748543622781166,0.12748440819683365,0.1707131108217394
EOS-3-47164,Fc1c(Br)cccc1COc1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,MYBGOCMUOSWHPE-UHFFFAOYSA-N,3,1,0.465,57,198,476.309,5.334,5,0.343,0.84,1.0,0.837579672400795,0.7851586594476047,0.8941899115893359,0.9003066959084367,0.8543087348365431
EOS-3-47165,Clc1ncc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)nn1,UYSYBXSZVAWHIX-UHFFFAOYSA-N,3,1,0.5,75,583,437.876,2.77,5,0.395,0.49,1.0,0.5838016585566445,0.6083801658556645,0.07809608662874375,0.11397436776094853,0.34606306970050027
EOS-3-47166,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c(Cl)cn2)cn1,BTSLHGKISJRMOR-UHFFFAOYSA-N,3,1,0.462,55,879,475.299,4.401,5,0.344,0.67,1.0,0.842120142553629,0.9334692618737578,0.8466520457816462,0.8617812350078816,0.8710056713042287
EOS-3-47167,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)cn1,KVXSVIYAPMPMPV-UHFFFAOYSA-N,3,1,0.61,87,73,409.453,3.573,5,0.423,0.75,1.0,0.6236464258789665,0.4110067850044548,0.3925707627989857,0.3406637653347954,0.4419719347543006
EOS-3-47168,CCn1c(-c2cccc(F)c2F)nnc1-c1cncc2nnc(-c3ccc(-c4cn(C)nn4)cc3)n12,BDVUNYUDLGSYMQ-UHFFFAOYSA-N,3,1,0.299,8,474,484.474,3.81,6,0.366,0.69,1.0,0.1733517236652731,0.3341957370982112,0.27015797409361936,0.37618223562470016,0.288471917620451
EOS-3-47169,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncc(C)cn1,GSCHQLBDBLZPJO-UHFFFAOYSA-N,3,1,0.396,31,896,475.9,3.025,5,0.346,0.57,0.985,0.6153793434308821,0.5093550818998013,0.07810465355356042,0.06357514906449181,0.31660355698718384
EOS-3-47171,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc(Cl)n2)nc1,IBSKNIXEDPGIFO-UHFFFAOYSA-N,3,1,0.529,75,262,466.839,3.591,5,0.35,0.54,1.0,0.910201494071688,0.9081625659653211,0.5962065656911795,0.6343293811253512,0.7622250017133849
EOS-3-47173,CCOc1cc(C(F)F)c(F)cc1-c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,QLAXWABOZAZKKT-UHFFFAOYSA-N,3,1,0.386,68,861,435.356,5.266,4,0.386,0.66,0.679,0.6379446233979851,0.7934086080460558,0.9913045713110822,0.9770834761154136,0.8499353197176341
EOS-3-47174,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1cncn1C,WMDISOUANSJSPD-UHFFFAOYSA-N,3,1,0.378,46,717,464.892,3.916,5,0.351,0.59,0.805,0.5146494414365019,0.523207799328353,0.48571893633061475,0.46138030292646154,0.4962391200054828
EOS-3-47175,FCc1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1cncs1,RGRJDLCGSMHSAZ-UHFFFAOYSA-N,3,1,0.389,46,564,455.425,4.032,5,0.382,0.56,1.0,0.6713384963333562,0.5895843328078952,0.6588050853265712,0.6489188540881365,0.6421616921389899
EOS-3-47176,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(OC)c1,KWTRCRKIHVQZEU-UHFFFAOYSA-N,3,1,0.444,36,482,477.916,3.143,5,0.332,0.63,1.0,0.4697416215475293,0.41101535192927147,0.12134192310328284,0.10920259063806456,0.27782537180453704
EOS-3-47177,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4F)n23)c(-c2ccc(F)cc2)n1,LDRAFXHHKXLGCU-UHFFFAOYSA-N,3,1,0.349,3,192,481.47,4.297,6,0.37,0.68,1.0,0.28011274073058734,0.3965286820642862,0.5740867658145432,0.6168785552737989,0.46690168597080395
EOS-3-47178,CCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1cnco1,TXIPGEYYCREKJS-UHFFFAOYSA-N,3,1,0.423,18,367,448.874,3.469,5,0.345,0.57,0.994,0.5354242341169214,0.5693064217668425,0.12391200054828319,0.12749297512165034,0.33903390788842436
EOS-3-47179,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc(-c2cncs2)n1,LVVMWJYZQSAKFH-UHFFFAOYSA-N,3,1,0.535,4,10,470.345,4.899,5,0.361,0.73,1.0,0.5956325817284628,0.8289784798848605,0.5237389486669864,0.6140086354602152,0.6405896614351313
EOS-3-47180,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cc(C#N)ccc5F)cnn4)n23)ccc1Cl,KAPLYOGYMRCCGC-UHFFFAOYSA-N,3,1,0.478,43,534,471.883,4.8,5,0.362,0.69,1.0,0.8421287094784456,0.9491467342882599,0.9290401617435405,0.9309848536769242,0.9128251147967926
EOS-3-47181,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnoc5)nc(Cl)n4)n23)ccn1,RXGZWQFZROCAJP-UHFFFAOYSA-N,3,1,0.518,7,43,420.82,3.172,5,0.395,0.56,1.0,0.43923480227537526,0.4381553697484751,0.3106538277020081,0.27582927832225346,0.365968319512028
EOS-3-47182,Fc1ccc(F)c(-c2nccnc2-c2nnc3cncc(Br)n23)c1F,QXAHDOVFIRBNMH-UHFFFAOYSA-N,3,1,0.476,73,861,407.153,3.428,4,0.477,0.75,1.0,0.2938112535124392,0.382633130011651,0.8055822082105407,0.8826673977109177,0.5911734973613871
EOS-3-47183,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1Cl,RSHBJRNGBLCMIU-UHFFFAOYSA-N,3,1,0.671,90,400,409.273,4.92,4,0.47,0.86,1.0,0.9769378383935302,0.9829946542389144,0.9066890548968543,0.9475018847234596,0.9535308580631896
EOS-3-47184,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)c6)cc5)n34)cn2)c1,SGXURGHIPUXEKZ-UHFFFAOYSA-N,3,1,0.314,38,57,464.92,4.969,6,0.342,0.73,1.0,0.26409259132341856,0.38718216708930164,0.7329346857651977,0.7463162223288329,0.5326314166266877
EOS-3-47185,Clc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)nn1,DUDUUFZSDVXPBO-UHFFFAOYSA-N,3,1,0.333,41,318,479.891,4.546,6,0.351,0.71,1.0,0.5329141251456377,0.5741381673634433,0.5406157905558221,0.5417380577068056,0.5473515351929271
EOS-3-47186,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4Cl)n23)cc1-c1cncn1C,AQNQNHRAULANIV-UHFFFAOYSA-N,3,1,0.478,16,55,466.332,4.781,5,0.347,0.69,1.0,0.6292149270098005,0.6131776437529984,0.8210712082790761,0.8078610102117744,0.7178311973134124
EOS-3-47187,Cc1cnc(-c2cc(Cc3cncc4nnc(-c5cccnc5-c5cnn(C)c5)n34)ccc2F)cn1,QFKNCLBUHIPNQA-UHFFFAOYSA-N,3,1,0.333,85,151,477.507,4.082,6,0.369,0.63,1.0,0.12679048728668357,0.19883832499485984,0.4992546775409499,0.45826194229319445,0.3207863580289219
EOS-3-47188,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(Cl)c(F)c4)n23)nn1,AHNLWBNUINBMCH-UHFFFAOYSA-N,3,1,0.279,99,507,486.862,2.688,6,0.365,0.7,0.127,0.24006236721266533,0.37782708518950037,0.17603317113289013,0.3245151120553766,0.2796094338976081
EOS-3-47189,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cc5)n34)cn2)cc1,FTGBWGCJKFRURP-UHFFFAOYSA-N,3,1,0.365,69,695,416.444,5.175,6,0.394,0.78,1.0,0.13781611952573505,0.12015968747858269,0.709435610993078,0.7303903090946474,0.4244504317730108
EOS-3-47190,Fc1cc(-c2ccnc(-c3nnc4cncc(COc5ccnc(Cl)n5)n34)c2)ccn1,XDWCAWPCMBGGQI-UHFFFAOYSA-N,3,1,0.323,18,160,434.822,3.41,5,0.306,0.6,1.0,0.4747875402645466,0.5184874237543692,0.557252758549791,0.564371873072442,0.5287248989102872
EOS-3-47191,Clc1cccc(CCOc2cncc3nnc(-c4cnnc(-c5ccnnc5)c4)n23)n1,BPWXMHDVMRLUEM-UHFFFAOYSA-N,3,1,0.457,53,778,431.847,2.708,5,0.374,0.48,1.0,0.5612192447399081,0.6514203961346036,0.2818089918442876,0.33108594338976083,0.45638364402714005
EOS-3-47193,CCNC(=O)c1ncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cc1F,VUIDGRNFISCEIS-UHFFFAOYSA-N,3,1,0.489,68,12,461.379,3.126,4,0.333,0.55,1.0,0.6292234939346172,0.6034284833116305,0.6026060585292303,0.4766037283256802,0.5779654410252896
EOS-3-47194,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)nn2C)cn1,BAFGPAKMQVYNDI-UHFFFAOYSA-N,3,1,0.409,31,569,448.878,2.355,5,0.36,0.52,0.997,0.3878332533753684,0.2793074497978206,0.0715081214447262,0.0687667055033925,0.2018538825303269
EOS-3-47195,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(Br)c4)n23)cn1,AXEKCGZKAYTLAI-UHFFFAOYSA-N,3,1,0.462,68,555,490.268,2.761,4,0.397,0.78,1.0,0.48225789870468094,0.32947536152422724,0.3330306353231444,0.26715098348296895,0.3529787197587554
EOS-3-47196,FC(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)cn1,ITCACUQPQZTWOK-UHFFFAOYSA-N,3,1,0.516,87,778,446.421,3.597,5,0.374,0.49,0.998,0.7470786786375163,0.7328061818929477,0.6805308066616408,0.592762661914879,0.6882945822767459
EOS-3-47197,Cc1csc(-c2ccnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)n1,DWHPSMWWOKZYAB-UHFFFAOYSA-N,3,1,0.376,6,584,469.494,2.772,6,0.386,0.58,1.0,0.4208244808443561,0.42906586251799056,0.033496676033171136,0.021528682064286205,0.22622892536495098
EOS-3-47198,Cc1cc(-c2nnc3cncc(OCc4cc(F)nc(-c5ccc(F)cn5)c4)n23)ccc1Cl,GMRIIGDUEFJJRZ-UHFFFAOYSA-N,3,1,0.523,59,97,464.863,5.067,5,0.338,0.72,1.0,0.9596583510383113,0.965158316770612,0.917140703173189,0.915153176615722,0.9392776368994586
EOS-3-47199,COc1ncc(-c2nnc3cncc(OCCc4cc(C)ccn4)n23)cc1-c1ncccc1C,BKRXKSPPGUAFAC-UHFFFAOYSA-N,3,1,0.464,87,657,453.506,3.89,5,0.366,0.58,0.999,0.3855116167500514,0.2179854019601124,0.24511685285449936,0.13180213830443424,0.24510400246727435
EOS-3-47200,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5cccs5)c4)n23)cc1Cl,SPPYSPUANXZXOL-UHFFFAOYSA-N,3,1,0.512,2,422,438.875,4.681,5,0.396,0.6,1.0,0.6497070111712699,0.6804794051127407,0.7868806113357549,0.8125471180864917,0.7324035364265643
EOS-3-47201,CCOc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,RABOXCKHCYCQSH-UHFFFAOYSA-N,3,1,0.438,65,116,475.9,3.107,5,0.33,0.61,1.0,0.5808375025700775,0.5368035090124049,0.08513809882804468,0.07994654238914399,0.3206814131999177
EOS-3-47202,FCc1cc(-c2nnc3cncc(OCc4nncc(-c5ccc(F)nn5)n4)n23)ccc1Cl,KVSPOSVMCBWFGH-UHFFFAOYSA-N,3,1,0.467,36,659,467.827,3.274,5,0.37,0.5,0.997,0.8325080529093277,0.9351226783633747,0.4647642382290453,0.5450448906860393,0.6943599650469467
EOS-3-47203,Fc1ccccc1-c1cccc(-c2nnc3cncc(OCc4cc(Cl)ns4)n23)c1,IAHMCNFXMQKMRM-UHFFFAOYSA-N,3,1,0.55,57,962,437.887,5.286,5,0.374,0.75,1.0,0.8120502364471249,0.8095144267013913,0.8174988006305257,0.8742118429168666,0.8283188266739772
EOS-3-47204,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6nnnn6C)nc5)n34)cc2)n1C,GYWSYUQJMJBDSR-UHFFFAOYSA-N,3,1,0.511,56,415,479.508,2.665,6,0.354,0.62,1.0,0.3922195188815023,0.22842848331163046,0.09938489479816325,0.06877527242820917,0.1972020423548763
EOS-3-47205,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3cnc(Cl)cn3)n12,DQVAGVOJWTXNAG-UHFFFAOYSA-N,3,1,0.448,20,456,463.889,2.66,5,0.359,0.53,0.707,0.48226646562949765,0.43816393667329173,0.12392056747309986,0.09260845726817901,0.28423985676101704
EOS-3-47206,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6F)nc5)n34)cc2)c1,HWTBANLNJUIDLT-UHFFFAOYSA-N,3,1,0.329,69,484,463.451,5.256,6,0.355,0.69,1.0,0.4184343088205058,0.49596497841134946,0.8989274210129532,0.9061921732574875,0.679879720375574
EOS-3-47207,N#Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)nc5)n34)ncn2)cn1,SJKHPIIYUYSEBI-UHFFFAOYSA-N,3,1,0.333,44,238,411.36,2.841,5,0.41,0.67,1.0,0.6557124254677541,0.6083887327804811,0.5929768350352957,0.545053457610856,0.6005328627235967
EOS-3-47208,Cc1cc(-c2nnc3cncc(OCCc4cnc(C)nn4)n23)cc(-c2cn(C)cn2)n1,QVBYFIDYDOCCME-UHFFFAOYSA-N,3,1,0.438,31,779,428.46,2.01,5,0.4,0.51,1.0,0.3944640531834693,0.21799396888492906,0.032134534987320953,0.018667329175519155,0.16581497155780964
EOS-3-47209,Cc1cccc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(Cl)nc5)c4)n23)n1,JMGBDSVBIQAYLO-UHFFFAOYSA-N,3,1,0.454,87,778,444.886,3.622,5,0.366,0.51,0.981,0.6095709684051813,0.7328147488177644,0.36635597285998217,0.3761908025495168,0.5212331231581111
EOS-3-47210,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5csc(-c6cccnc6)n5)n34)c2)o1,WSJSURAKLAQQQH-UHFFFAOYSA-N,3,1,0.534,41,667,467.514,4.852,6,0.342,0.77,1.0,0.36029059008978137,0.3871907340141183,0.3330392022479611,0.2671595504077856,0.33692001918991155
EOS-3-47211,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)nn1,LHEDECWIFVYAMJ-UHFFFAOYSA-N,3,1,0.451,53,658,412.417,1.758,5,0.406,0.61,1.0,0.47749468850661364,0.3342043040230279,0.053740319374957164,0.0467582756493729,0.2280493968884929
EOS-3-47212,CN(C)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccn5)c4F)n23)cc1,TURCBKZWEBCKQR-UHFFFAOYSA-N,3,1,0.391,62,3,410.456,4.725,5,0.429,0.78,1.0,0.18771845658282502,0.17265780275512302,0.8338273593310945,0.7090243986018778,0.4758070043177301
EOS-3-47213,Cn1cc(-c2cc(-c3nnc4cncc(OCc5sncc5Cl)n34)cc(F)c2F)cn1,YURQQSSUFGWQDE-UHFFFAOYSA-N,3,1,0.506,73,772,459.869,4.159,5,0.392,0.59,1.0,0.5146580083613186,0.5987081077376465,0.7711346035227195,0.7926975532862723,0.6692995682269892
EOS-3-47214,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)no1,ZNWLMVDWGXVFNS-UHFFFAOYSA-N,3,1,0.304,42,174,408.381,3.558,6,0.431,0.79,1.0,0.2665941333698855,0.145089438695086,0.3588599136453978,0.36338324994859844,0.28348168391474193
EOS-3-47215,COc1nc(-c2c(F)c(C)nn2C)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,NNVHALVEFQCBTH-UHFFFAOYSA-N,3,1,0.535,31,456,460.473,3.059,5,0.365,0.54,0.998,0.46238263313001166,0.377835652114317,0.15998732095127133,0.09650640805976286,0.27417800356384076
EOS-3-47216,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(C)nn5)n34)c2)cn1,XEHWGMMABYIFIO-UHFFFAOYSA-N,3,1,0.44,7,828,411.429,2.629,5,0.43,0.63,0.999,0.4208330477691728,0.1988468919196765,0.159995887876088,0.10921115756288123,0.22222174628195462
EOS-3-47217,Cc1cnc(-c2cc(COc3cncc4nnc(-c5cccc(C)n5)n34)ncn2)cn1,FBESQRHSIRELKL-UHFFFAOYSA-N,3,1,0.396,7,296,411.429,2.629,5,0.43,0.63,1.0,0.32188506613665957,0.16050990336508808,0.1154221780549654,0.07044582276745939,0.1670657425810431
EOS-3-47218,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)c(F)s5)cnn4)n23)cc1,CAQJIQCHDHOLTI-UHFFFAOYSA-N,3,1,0.549,34,534,456.865,4.82,5,0.377,0.65,1.0,0.8714618600507162,0.9180830649030224,0.8623209512713317,0.8881330957439517,0.8849997429922555
EOS-3-47219,COc1ccc(F)c(F)c1-c1ccc(-c2nnc3cncc(OCc4snnc4C)n23)nc1,PCKKVUYQXYHJNI-UHFFFAOYSA-N,3,1,0.418,46,772,467.461,3.879,5,0.371,0.57,1.0,0.4533016928243438,0.5276797340826537,0.42866321705160715,0.4040076074292372,0.4534130628469604
EOS-3-47220,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1ncccc1F,HDVWVCZUIBTLRF-UHFFFAOYSA-N,3,1,0.404,49,501,478.875,3.461,5,0.347,0.63,0.887,0.7105835789185114,0.6131862106778151,0.2741672949078199,0.284815982454938,0.47068826673977104
EOS-3-47221,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)F)cn4)n23)c(OC(F)F)c1,HDSSOQSSIYBOPX-UHFFFAOYSA-N,3,1,0.4,66,455,487.417,3.603,5,0.379,0.73,0.751,0.44380097320265915,0.5741467342882599,0.6694452059488726,0.634337948050168,0.58043271537249
EOS-3-47222,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccoc5)nn4)n23)cn1,QFLFAVOGKRPQID-UHFFFAOYSA-N,3,1,0.274,99,312,410.401,2.428,6,0.435,0.71,1.0,0.022196902199986292,0.021965595229936262,0.1416027002947022,0.14078884243711878,0.08163851004043587
EOS-3-47223,Cc1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)s2)n[nH]1,TYYBMHJUGCYKMA-UHFFFAOYSA-N,3,1,0.301,64,176,454.494,4.814,6,0.41,0.59,0.13,0.22635528750599684,0.33919882119114525,0.39257932972380233,0.4706925502021794,0.35720649715578096
EOS-3-47224,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c(F)c2)n(C)n1,YEIJNYAFYHQGBJ-UHFFFAOYSA-N,3,1,0.581,37,669,463.904,4.309,5,0.349,0.62,1.0,0.8067644438352409,0.8095229936262079,0.672143787266123,0.6461174696730861,0.7336371736001644
EOS-3-47226,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5sncc5-c5ccsc5)n34)cn2)n1,DCRCGSBDPLFDQM-UHFFFAOYSA-N,3,1,0.406,80,879,473.547,4.044,6,0.385,0.63,1.0,0.4463025152491262,0.4290744294428072,0.11831779864299911,0.11160132958673155,0.276324018230416
EOS-3-47227,CCOc1cc(-c2cncnn2)ncc1-c1cncc2nnc(-c3cnc(C)cn3)n12,FOSXNRFQEKREQU-UHFFFAOYSA-N,3,1,0.293,50,828,412.417,2.202,5,0.423,0.62,0.961,0.18208142005345762,0.052618052223973685,0.09668631348091289,0.06878383935302584,0.10004240627784251
EOS-3-47228,Clc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)s1,DYKQCQJIEMYDKB-UHFFFAOYSA-N,3,1,0.524,87,419,439.953,5.251,5,0.361,0.71,1.0,0.7259355081899801,0.7508309917072168,0.5962151326159961,0.6571431019121377,0.6825311836063328
EOS-3-47229,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccc(F)n5)n4)n23)cn1,WUVYGCLHKPKBQD-UHFFFAOYSA-N,3,1,0.443,80,34,480.467,3.157,6,0.331,0.65,1.0,0.5279967103008704,0.5232163662531698,0.20623158111164416,0.18005105887190734,0.3593739291343979
EOS-3-47230,N#Cc1ncncc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)nc1,NPDPOYPNLDGVTL-UHFFFAOYSA-N,3,1,0.33,96,315,478.825,4.854,5,0.365,0.71,1.0,0.4578678637516277,0.7235453361661298,0.9875522582413817,0.9775460900555136,0.7866278870536632
EOS-3-47231,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5cscn5)cn4)n23)cc1F,OQUPYHGFWGSXBS-UHFFFAOYSA-N,3,1,0.379,41,318,470.493,4.642,6,0.362,0.67,1.0,0.609579535329998,0.5509475018847234,0.6320762798985676,0.5581094510314577,0.5876781920361867
EOS-3-47232,FC(F)c1nnc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)c(-c2ccccn2)n1,PRCAWASJBRUVAQ-UHFFFAOYSA-N,3,1,0.3,76,887,481.43,3.495,6,0.36,0.62,0.604,0.2641011582482352,0.3204715235419094,0.19565999588787608,0.23144404084709752,0.2529191796312796
EOS-3-47233,Cc1ccc(-c2nnc3cncc(OCCc4ncc(F)s4)n23)cc1-c1ncn(C)n1,NBLSIKXMNNEGFN-UHFFFAOYSA-N,3,1,0.517,15,563,436.476,3.112,5,0.403,0.47,1.0,0.5072133506956343,0.5184959906791858,0.1097508738263313,0.09863100541429648,0.308522805153862
EOS-3-47234,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccc(F)nc5)c4)n23)c(Cl)c1,MBCXQUFRSBOVBQ-UHFFFAOYSA-N,3,1,0.488,57,913,435.821,5.577,5,0.345,0.77,1.0,0.7760691522171201,0.8812367212665342,0.9698701254197793,0.976715098348297,0.9009727743129327
EOS-3-47235,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nc(C(F)F)n(-c6ccccc6)n5)n34)cc2)n(C)n1,MQXRJKNYWJWDIE-UHFFFAOYSA-N,3,1,0.346,98,973,484.474,4.081,6,0.363,0.7,0.963,0.03139777945308752,0.12740730587348364,0.17288910972517305,0.18005962579672402,0.12793845521211705
EOS-3-47236,CCn1nc(-c2cncnc2OC)nc1-c1cncc2nnc(-c3ccc(-c4cn(C)nn4)nc3)n12,JJADERUSPMWTJQ-UHFFFAOYSA-N,3,1,0.255,99,286,481.484,1.726,6,0.342,0.67,0.71,0.07711089027482695,0.10793468576519773,0.006288122815434172,0.002647179768350353,0.048495219655952305
EOS-3-47238,COc1ncc(-c2cocn2)cc1-c1cncc2nnc(-c3ccncc3-c3ccccc3)n12,KMQZSVUKHWZITG-UHFFFAOYSA-N,3,1,0.315,41,174,447.458,4.579,6,0.378,0.57,1.0,0.3196490987595093,0.1079432526900144,0.520295044890686,0.4707011171269961,0.35464712836680146
EOS-3-47239,CC(F)(CO)c1ncc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1CCF,IGLVUTDBXDNLJL-UHFFFAOYSA-N,3,1,0.394,66,334,441.442,1.824,4,0.43,0.5,1.0,0.14891885408813652,0.12016825440339936,0.20624014803646082,0.12089644301281612,0.1490559248852032
EOS-3-47240,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)c(=O)n(C)c4)n23)n1,NZGNBJFDFOGZLL-UHFFFAOYSA-N,3,1,0.412,87,779,480.891,2.7,5,0.344,0.66,1.0,0.2614111438558015,0.2587553971626345,0.32549174148447674,0.3794462339798506,0.3062761291206908
EOS-3-47241,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c(Cl)n2)s1,LAAPYYPGYGUIDJ-UHFFFAOYSA-N,3,1,0.495,58,24,468.905,3.822,5,0.346,0.62,0.936,0.7136248372284285,0.8095315605510246,0.17920293331505724,0.2609999314646015,0.49083981563977797
EOS-3-47243,Fc1cnc(-n2cccn2)c(COc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)c1,RDMDGRQXAQOZHL-UHFFFAOYSA-N,3,1,0.478,40,300,465.452,3.547,6,0.367,0.54,1.0,0.4485898841751765,0.3392073881159619,0.3741176067438832,0.35665821396751424,0.37964327325063396
EOS-3-47244,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6cccnn6)n5)n34)c2)nc1,IKNKQOGAEOYHMP-UHFFFAOYSA-N,3,1,0.414,28,218,473.5,3.988,6,0.354,0.6,1.0,0.39222808580631896,0.2691042423411692,0.35886848057021453,0.29659550407785623,0.3291990781988897
EOS-3-47245,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(Cl)n6)n5C)n34)cc2)cnn1,OLPUZNSROCPCSP-UHFFFAOYSA-N,3,1,0.317,8,474,480.923,4.068,6,0.347,0.67,1.0,0.14585189500376944,0.2384517853471318,0.1991210335138099,0.3028236584195737,0.2215620930710712
EOS-3-47246,FC(F)Oc1ccc(-c2nnc3cncc(-c4ncn(-c5ncccn5)n4)n23)cc1,IYZVQYIDMGTPOT-UHFFFAOYSA-N,3,1,0.468,50,121,407.344,2.43,5,0.437,0.78,1.0,0.0932509766294291,0.2845932424097046,0.38536597902816805,0.4012319237886368,0.29111053046398466
EOS-3-47247,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccc2F)cc1F,IPMVJJRXIQQGBK-UHFFFAOYSA-N,3,1,0.541,59,89,464.863,5.067,5,0.361,0.65,1.0,0.9560174079912275,0.9199249537386059,0.9336663011445412,0.9317987115345076,0.9353518436022206
EOS-3-47248,Cc1cnnc(-c2nccnc2COc2cncc3nnc(-c4ccc(F)nc4)n23)n1,LIFYTFLUPZBWGL-UHFFFAOYSA-N,3,1,0.415,7,185,416.38,1.855,5,0.391,0.58,0.849,0.5354328010417381,0.6034370502364471,0.055650743609074085,0.07045438969227606,0.3162437461448838
EOS-3-47249,Fc1ccc(-c2nnc3cncc(OCc4nccnc4-c4cc(Cl)ccc4F)n23)c(F)c1,WJNLCZOQLBCBRH-UHFFFAOYSA-N,3,1,0.517,34,146,468.826,4.898,5,0.365,0.65,1.0,0.9173034747447056,0.9534558974710438,0.9255448564183401,0.9489068603933932,0.9363027722568706
EOS-3-47250,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)nc2F)c(C)n1,JJVGCNUPYJSELS-UHFFFAOYSA-N,3,1,0.426,18,773,447.499,4.082,5,0.362,0.55,1.0,0.6922417928860256,0.6611181550270715,0.31066239462682477,0.24886059899938318,0.47822073538482623
EOS-3-47251,Clc1ncc(COc2cncc3nnc(-c4nccnc4-c4ccccn4)n23)cn1,IKBVXQUHEMSGQS-UHFFFAOYSA-N,3,1,0.432,7,62,417.82,2.666,5,0.397,0.57,0.813,0.5558477828798575,0.4959735453361661,0.1416112672195189,0.17704406826125693,0.34261916592419983
EOS-3-47252,COc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,ARDTZRUKACSOCM-UHFFFAOYSA-N,3,1,0.448,58,132,478.875,3.461,5,0.324,0.67,0.999,0.732077993283531,0.742238366116099,0.3476715098348297,0.3342728394215612,0.5390651771640053
EOS-3-47253,Fc1cc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)ccn1,SAQIWWOBZRJLBG-UHFFFAOYSA-N,3,1,0.442,13,724,454.799,5.111,5,0.351,0.67,1.0,0.8399355767253787,0.9320985539030909,0.9609862243848948,0.9620656569117949,0.9237715029812898
EOS-3-47254,Cn1cncc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4F)n23)c1,CDQPVUDTCIJUFL-UHFFFAOYSA-N,3,1,0.467,27,69,470.39,3.719,5,0.285,0.68,1.0,0.8325166198341444,0.7235539030909465,0.9357651977246247,0.8286015351929271,0.8301093139606607
EOS-3-47255,N#Cc1ccc(-c2nnc3cncc(-c4nc5cc(F)ccc5n4Cc4cccc(Cl)c4)n23)cn1,YWGGPHHLKAHBNY-UHFFFAOYSA-N,3,1,0.324,96,586,480.894,4.915,6,0.355,0.76,1.0,0.23164964704269755,0.42460249468850664,0.7756408059762867,0.8680693578233157,0.5749905763827017
EOS-3-47256,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cncc5Cl)n34)cc2)cc1,IFDKLYOMTYKZBU-UHFFFAOYSA-N,3,1,0.725,57,883,463.875,5.406,5,0.337,0.74,1.0,0.9902422726338154,0.9855047632101981,0.9458484682338428,0.9603694057980947,0.9704912274689877
EOS-3-47257,Fc1ncccc1-c1ncccc1-c1cncc2nnc(-c3cnc(C4(F)CC4)nc3)n12,WAOYAMNXAXHXHG-UHFFFAOYSA-N,3,1,0.302,82,478,428.406,3.803,6,0.402,0.55,0.989,0.29381982043725585,0.43817250359810844,0.17289767664998973,0.37619936947433347,0.3202723425399219
EOS-3-47258,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4F)n23)c(-c2cccnc2)n1,WFEIFCWULMPOBY-UHFFFAOYSA-N,3,1,0.295,98,314,464.468,3.553,6,0.364,0.53,1.0,0.1877270235076417,0.23846035227194845,0.2417243506270989,0.2578987046809677,0.23145260777191418
EOS-3-47259,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1-c1cncnc1,PZMOLJVAXNNFJX-UHFFFAOYSA-N,3,1,0.554,59,607,452.371,4.384,5,0.291,0.68,1.0,0.962194160784045,0.9459170036323761,0.9806815845384141,0.9770920430402302,0.9664711979987664
EOS-3-47260,CCCOc1nnn(CC)c1Cc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,WXRXAMHATNRAET-UHFFFAOYSA-N,3,1,0.376,66,334,413.432,3.72,4,0.438,0.68,0.997,0.2614197107806182,0.15670618874648756,0.12954903707765061,0.17180111027345624,0.17986901171955316
EOS-3-47261,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccncc6)n5)n34)cc2)nc1,DQHLKUNHRWZRKP-UHFFFAOYSA-N,3,1,0.347,32,479,461.916,5.631,6,0.338,0.8,1.0,0.2770971831951203,0.3633232814748818,0.7803012130765541,0.8225618531971763,0.5608208827359331
EOS-3-47262,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ccc(F)cn5)nc4)n23)cc1,LPEMQILXYFVVGZ-UHFFFAOYSA-N,3,1,0.424,14,886,410.456,4.481,5,0.427,0.78,1.0,0.47984202590638064,0.5604396545815914,0.6415084641217189,0.6430762113631691,0.5812165889932149
EOS-3-47263,FC(F)c1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5nncs5)c4)n23)cn1,BMKLDDFUPGSMDL-UHFFFAOYSA-N,3,1,0.477,27,212,472.868,4.27,5,0.361,0.66,1.0,0.6713470632581728,0.8944897539579193,0.6805393735864574,0.6659670344733054,0.7280858063189637
EOS-3-47264,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)c2)nc1,LQQZDNWXPQUPMF-UHFFFAOYSA-N,3,1,0.495,2,35,465.851,4.196,5,0.347,0.59,1.0,0.8831214447262011,0.8891525597971353,0.8055907751353574,0.832679391405661,0.8526360427660886
EOS-3-47265,CCn1cnc(-c2cccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)c1,SVQVYRXDCQZECO-UHFFFAOYSA-N,3,1,0.483,13,374,416.872,5.12,5,0.397,0.77,1.0,0.507221917620451,0.5895928997327119,0.720058597765746,0.7249931464601467,0.6354666403947639
EOS-3-47266,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5nc(=N)nc[nH]5)cc4)n23)n1,ZBRIMBXUPPUDDT-UHFFFAOYSA-N,3,1,0.267,98,865,448.454,1.913,6,0.415,0.59,0.914,0.08159139195394421,0.02197416215475293,0.08514666575286135,0.07438660818312659,0.06577470701117127
EOS-3-47267,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cccnn6)ccc5F)n34)cn2)n1,DUTYTRIRMRWXSE-UHFFFAOYSA-N,3,1,0.427,6,218,481.451,3.72,6,0.347,0.7,1.0,0.6864077170858749,0.5793811253512439,0.39638304434240285,0.3599736138715647,0.5055363751627716
EOS-3-47268,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)c1,OYHXBJUEQAREMX-UHFFFAOYSA-N,3,1,0.355,21,107,444.473,5.721,6,0.348,0.81,1.0,0.24535672674936604,0.36836063326708246,0.7888338701939552,0.8649338633404153,0.5668712733877048
EOS-3-47269,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4csnc4-c4ccccc4)n23)cn1,BHEIOEHFEAHACL-UHFFFAOYSA-N,3,1,0.435,28,363,466.53,4.289,6,0.361,0.63,1.0,0.4414707696525255,0.3152285655541087,0.23461380302926463,0.2253015557535467,0.3041536734973614
EOS-3-47270,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,VESKVZWJQOIVNB-UHFFFAOYSA-N,3,1,0.511,35,265,479.903,4.009,5,0.348,0.66,1.0,0.7291224042217805,0.5942875745322459,0.6667723254060722,0.5866030429716949,0.6441963367829484
EOS-3-47271,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5C)cn4)n23)cn1,YVRSTHZCIYYDGJ-UHFFFAOYSA-N,3,1,0.506,97,205,409.453,3.839,5,0.435,0.77,1.0,0.4747961071893633,0.4246110616133233,0.40004968816393666,0.3184497292851758,0.40447664656294974
EOS-3-47272,Cc1c(-c2ccc(Cl)c(F)c2)c(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)nn1C,LHJFBYRQJDXOEW-UHFFFAOYSA-N,3,1,0.296,45,844,454.296,5.008,5,0.383,0.61,0.999,0.15164313617983688,0.38719930093893495,0.7145500651086286,0.8326879583304777,0.5215201151394695
EOS-3-47273,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4cc(F)c(Cl)c(F)c4)n23)c1,HEMGQIGLGYNSDB-UHFFFAOYSA-N,3,1,0.568,43,11,467.867,4.58,5,0.34,0.64,1.0,0.5072304845452676,0.5896014666575287,0.7733277362757864,0.7880285792611884,0.6645470666849428
EOS-3-47274,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)n1,MIRUJIVQSPJZND-UHFFFAOYSA-N,3,1,0.551,65,349,411.429,2.363,5,0.415,0.67,1.0,0.567053320540059,0.3536854910561305,0.1445582893564526,0.12090500993763278,0.2965505277225687
EOS-3-47275,CCn1c(C)nc(-c2cnc(C)cn2)c1-c1cncc2nnc(-c3ccc(Cl)c(OC)c3)n12,SHGKLODUBBMEAG-UHFFFAOYSA-N,3,1,0.327,50,974,460.929,4.411,5,0.383,0.59,0.965,0.3146888492906586,0.39653724898910286,0.17604173805770681,0.18278390788842436,0.2675129360564732
EOS-3-47276,Fc1c(Cl)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1-c1cccnc1,BJSMKPAFSSARGV-UHFFFAOYSA-N,3,1,0.535,73,401,468.279,4.668,5,0.37,0.63,1.0,0.7439260503049825,0.8617555342334315,0.8693115619217325,0.8965115482146528,0.8428761736686998
EOS-3-47277,COc1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)cc1-c1nccn1C,FVAISBXLUHCCOI-UHFFFAOYSA-N,3,1,0.5,27,343,482.426,3.588,5,0.362,0.65,1.0,0.5838102254814612,0.5987166746624631,0.7120485230621616,0.4267099581934069,0.5803213453498732
EOS-3-47278,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)ccn2)c1,COKNHCLDWPJCHW-UHFFFAOYSA-N,3,1,0.533,75,496,461.888,4.366,5,0.347,0.61,1.0,0.8198290041806593,0.8357720512644781,0.7329432526900144,0.7118086491672949,0.7750882393256117
EOS-3-47280,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)c2)cn1,HPHXGMVUJPDMAC-UHFFFAOYSA-N,3,1,0.495,11,655,452.902,4.724,5,0.347,0.65,1.0,0.722971352203413,0.7723425399218696,0.6176324446576656,0.6978188609416763,0.7026912994311562
EOS-3-47281,FCc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)[nH]n2)cn1,KWVZHRQOTSTMCR-UHFFFAOYSA-N,3,1,0.426,37,963,468.855,3.855,5,0.386,0.55,1.0,0.6010982797614968,0.4959821122609828,0.5929854019601124,0.6282639983551505,0.5795824480844356
EOS-3-47282,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)cn(C)c2=O)cn1,DLKCMSOYKVLLGK-UHFFFAOYSA-N,3,1,0.433,55,552,478.875,3.022,5,0.354,0.62,1.0,0.45331025974916045,0.3342128709478446,0.492418271537249,0.4644301281611953,0.4360928825988623
EOS-3-47283,COc1cccc(F)c1-c1ccc(-c2cncc3nnc(-c4ccc(C)cc4)n23)c(F)c1,NAPXEUUOOMATDK-UHFFFAOYSA-N,3,1,0.4,83,3,428.442,5.721,5,0.367,0.81,1.0,0.5808460694948941,0.7144044273867453,0.9662120485230622,0.9533873620725104,0.803712476869303
EOS-3-47284,COCc1nnc(COc2cncc3nnc(-c4cnc(-c5ncccn5)cn4)n23)n1C,XLEIVSOWMDCXKQ-UHFFFAOYSA-N,3,1,0.356,7,828,431.42,0.892,5,0.362,0.5,1.0,0.24262387773284902,0.11388013158796519,0.003846549242683846,0.0016876841888835584,0.0905095606880954
EOS-3-47285,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1nc(C)no1,PFURYAMTLUVHFK-UHFFFAOYSA-N,3,1,0.394,13,971,451.849,4.692,5,0.379,0.62,0.999,0.52524672743472,0.5647488177643754,0.34768007675964635,0.4012404907134535,0.4597290281680488
EOS-3-47286,CCn1cc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)c(C)n1,ZJFKQFOOMRQJRB-UHFFFAOYSA-N,3,1,0.451,16,772,463.904,4.75,5,0.338,0.7,1.0,0.4392433692001919,0.5987252415872798,0.6914193681036255,0.6602357617709547,0.597405935165513
EOS-3-47287,FC(F)Oc1cccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)n2)c1,MHUUHIFVTROBFX-UHFFFAOYSA-N,3,1,0.378,3,115,483.442,4.097,6,0.348,0.76,1.0,0.18208998697827428,0.3965458159139195,0.6721523541909397,0.6402833938729354,0.47276788773901723
EOS-3-47288,Cc1ccc(-c2nnc3cncc(OCc4ccn(-c5ccc(F)c(F)c5)c4)n23)cc1,GZPPBLBCSJQGNV-UHFFFAOYSA-N,3,1,0.573,43,96,417.419,4.748,5,0.414,0.72,1.0,0.819837571105476,0.6804879720375574,0.9504232060859434,0.9343088205057912,0.8462643924336919
EOS-3-47289,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(-n6cccc6)n5)n34)cn2)n1,NMZVBKVBJYMQJD-UHFFFAOYSA-N,3,1,0.429,6,297,461.489,3.716,6,0.369,0.53,1.0,0.3370313892125283,0.25876396408745117,0.27417586183263654,0.21965595229936263,0.27240679185799466
EOS-3-47290,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)no1,UJHDSSQPZQZAKY-UHFFFAOYSA-N,3,1,0.329,38,983,409.369,2.953,6,0.428,0.72,1.0,0.27710575011993693,0.1450980056199027,0.22352820231649648,0.222585840586663,0.21707944966074977
EOS-3-47291,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)cnn2)ns1,FTKZXKHFGPVAPW-UHFFFAOYSA-N,3,1,0.42,65,65,418.446,1.82,5,0.402,0.57,1.0,0.35550167911726405,0.31005414296484135,0.007290453018984305,0.005037351792200672,0.1694709067233226
EOS-3-47292,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)nc1F,ZBZWLHNDDQQDOF-UHFFFAOYSA-N,3,1,0.413,2,422,424.396,2.957,5,0.397,0.57,1.0,0.5927540949900624,0.5552480981426907,0.3853745459529847,0.37945480090466727,0.47820788499760125
EOS-3-47293,FCc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cc2)s1,WOLVATXATPLMDU-UHFFFAOYSA-N,3,1,0.535,15,201,450.474,4.54,5,0.339,0.65,1.0,0.890574669316702,0.8392844904393119,0.5542029333150572,0.5317918579946542,0.7039634877664314
EOS-3-47294,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)c(Cl)c1,LPQOJDMROHAPCK-UHFFFAOYSA-N,3,1,0.321,25,745,487.89,3.237,6,0.372,0.74,1.0,0.17901446096909054,0.4110239188540881,0.33304776917277773,0.4520337879514769,0.3437799842368583
EOS-3-47295,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)ncn2)sn1,MOTMEWMWACWHQU-UHFFFAOYSA-N,3,1,0.415,46,395,438.423,3.265,5,0.385,0.53,0.947,0.5122421355630183,0.4644900966349119,0.38163936673291754,0.3534541840860805,0.4279564457542321
EOS-3-47296,CCc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1cnc(C)nc1,DULBVRVUEPQXRO-UHFFFAOYSA-N,3,1,0.506,13,573,461.888,5.099,5,0.359,0.69,0.997,0.6713556301829895,0.7097611541361113,0.6529367418271538,0.6402919607977521,0.6685863717360017
EOS-3-47297,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cscn5)s4)n23)ccc1Cl,HVFSNYRTXPKCEJ-UHFFFAOYSA-N,3,1,0.588,24,268,443.916,5.348,5,0.366,0.75,1.0,0.8491278870536633,0.9289287917209239,0.7910013021725721,0.822570420121993,0.847907100267288
EOS-3-47298,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)ccn1,ATFVDRKLMJFOOF-UHFFFAOYSA-N,3,1,0.5,28,667,476.475,4.423,6,0.348,0.68,1.0,0.6497155780960866,0.622344253306833,0.5337108491535878,0.5283479542183538,0.5835296586937153
EOS-3-47299,Cc1cnc(COc2cncc3nnc(-c4cc(-c5cnc(C)s5)ncn4)n23)cn1,DIWFICNPXMOOAL-UHFFFAOYSA-N,3,1,0.385,7,296,417.458,2.691,5,0.425,0.56,0.985,0.2693184154615859,0.1854396545815914,0.055659310533890755,0.0304982523473374,0.13522890823110137
EOS-3-47300,COc1nc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)ccc1-c1ncccn1,JRPJXLDGTNXFDS-UHFFFAOYSA-N,3,1,0.374,46,896,465.836,2.813,5,0.345,0.55,0.998,0.7167517647865123,0.6267990542115003,0.16945377287368926,0.15060653827702009,0.4159027825371805
EOS-3-47301,Cc1cnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Oc2ccc(Cl)cc2)n1,YVYUNGXHXVWDKI-UHFFFAOYSA-N,3,1,0.459,45,533,449.301,5.656,5,0.353,0.8,1.0,0.6320248783496676,0.8392930573641286,0.740507847303132,0.8347268864368447,0.7616381673634433
EOS-3-47302,Cc1nc(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c(F)c2)c(C)n1,CTYJLWUOQYKGPT-UHFFFAOYSA-N,3,1,0.313,96,315,461.451,5.312,5,0.361,0.7,0.616,0.30944589130285793,0.44694503461037627,0.8387362072510451,0.7790161743540539,0.5935358268795833
EOS-3-47303,Fc1ccc(-c2ncoc2-c2nnc3cncc(-c4ccc(-c5nccs5)cc4F)n23)cc1,VEYHROHKPAISBO-UHFFFAOYSA-N,3,1,0.365,69,484,458.453,5.515,6,0.346,0.78,1.0,0.3245579466794599,0.47319409224864645,0.7687786991981358,0.8207199643615928,0.5968126756219587
EOS-3-47304,Fc1cc(-c2cncc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)ncn1,FNNLZOSFKQUZBQ-UHFFFAOYSA-N,3,1,0.429,2,565,434.822,3.41,5,0.306,0.6,1.0,0.7499657323007334,0.7144129943115619,0.7045096292234939,0.7006288122815434,0.7173792920293331
EOS-3-47305,Cc1cc(C#N)nc(-c2cc(-c3nnc4cncc(Oc5cnn(C)c5)n34)n(C)n2)n1,MJSDJNZAAMTPQM-UHFFFAOYSA-N,3,1,0.319,31,105,413.405,1.688,5,0.431,0.64,1.0,0.1706702761976561,0.10429374271811391,0.04810328284558975,0.029581591391953946,0.08816222328832841
EOS-3-47306,Clc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3cncs3)n12,STBOQBIZRJGFKG-UHFFFAOYSA-N,3,1,0.494,47,164,410.85,3.265,5,0.473,0.67,1.0,0.6379531903228017,0.680496538962374,0.339952710575012,0.38909259132341856,0.5118737577959016
EOS-3-47307,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4Cl)n23)nc1F,GKQRFXQKWUDYPU-UHFFFAOYSA-N,3,1,0.415,46,223,455.816,2.887,5,0.372,0.5,0.954,0.502193132753067,0.5185045576040025,0.5237475155918032,0.5643804399972586,0.5272064114865328
EOS-3-47308,CCn1c(-c2ccnn2-c2ccccc2)nnc1-c1cncc2nnc(-c3nc(Cl)cnc3C)n12,DJZKPVPIRAAWHY-UHFFFAOYSA-N,3,1,0.261,8,754,483.927,3.674,6,0.364,0.69,0.012,0.008823932561167843,0.08222534439037762,0.014263929819751902,0.040298814337605376,0.03640300527722569
EOS-3-47309,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5cc(C)nn5C)ncn4)n23)cn1,SFEGFRPMWYPSQW-UHFFFAOYSA-N,3,1,0.394,31,828,414.433,1.968,5,0.425,0.58,1.0,0.1790230278939072,0.08560071276814475,0.04648413405523953,0.02153724898910287,0.0831612809265986
EOS-3-47310,N=c1nc(-c2cccnc2)cc(-c2nnc3cncc(OCc4ccncc4F)n23)[nH]1,AROJXHXDTOSEEV-UHFFFAOYSA-N,3,1,0.389,55,879,415.392,2.169,5,0.45,0.64,1.0,0.4533188266739771,0.2691128092659859,0.4436296347063258,0.3891011582482352,0.388790607223631
EOS-3-47311,COc1nc(-c2cccc(F)c2F)ccc1-c1nnc2cncc(OCCc3cnc(C)cn3)n12,YGDBEVVEVKUBFC-UHFFFAOYSA-N,3,1,0.453,49,710,475.459,3.86,5,0.35,0.65,0.999,0.6984099787540264,0.564757384689192,0.502835652114317,0.42040470152833936,0.5466019292714687
EOS-3-47312,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cc(F)ccn6)c5)n34)cc2)cn1,YTCNLDVIJKCZKN-UHFFFAOYSA-N,3,1,0.321,69,484,459.488,5.425,6,0.35,0.72,1.0,0.3218936330614762,0.3872078678637516,0.7974607634843397,0.7904187512850387,0.5742452539236516
EOS-3-47313,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccc5Cl)c4)n23)cc1,MKMCTUXNZVESCI-UHFFFAOYSA-N,3,1,0.649,57,709,448.313,5.739,5,0.343,0.82,1.0,0.9609262559111781,0.9716263450071962,0.9199078198889726,0.9489154273182099,0.9503439620313892
EOS-3-47314,CCc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cnc(C)nc1,ZIXRQJOYQGEULJ-UHFFFAOYSA-N,3,1,0.43,87,690,472.94,4.184,5,0.347,0.6,0.891,0.5956411486532794,0.6514289630594202,0.24886059899938318,0.24017373723528201,0.43402611198684127
EOS-3-47315,COc1cnncc1CCOc1cncc2nnc(-c3ccc(-c4ncc(F)cn4)cc3OC)n12,PMKCMPFMXNYYTA-UHFFFAOYSA-N,3,1,0.516,15,467,474.456,2.816,5,0.332,0.6,1.0,0.8444674799533959,0.5552566650675074,0.347688643684463,0.2052121170584607,0.48815622644095674
EOS-3-47316,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ncco5)n34)c(C)n2)n1,OEYXAMZKTFZDAM-UHFFFAOYSA-N,3,1,0.583,31,579,414.429,2.87,5,0.413,0.6,1.0,0.40490713453498733,0.2537009115208005,0.06329244054554177,0.04030738126242204,0.1905519669659379
EOS-3-47317,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,CVZRCLAUPJJCKV-UHFFFAOYSA-N,3,1,0.449,26,456,480.891,3.404,5,0.349,0.63,0.934,0.612595092865465,0.5413782468645055,0.3627578644369817,0.3215595229936262,0.45957268179014465
EOS-3-47318,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1,RXOVJDIRWAIGEH-UHFFFAOYSA-N,3,1,0.537,84,752,451.914,5.329,5,0.349,0.71,1.0,0.7559197450483175,0.8212339798505929,0.8483225961208964,0.877038928106367,0.8256288122815435
EOS-3-47319,CCn1nc(-c2ccc(Cl)nc2)nc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,DGINERYUWBHBNS-UHFFFAOYSA-N,3,1,0.321,8,608,480.923,4.242,6,0.337,0.72,1.0,0.18478000137070796,0.2950877253101227,0.12392913439791653,0.20522068398327736,0.20225438626550613
EOS-3-47320,Cc1nnc(-c2cnc(-c3nnc4cncc(OCc5cc(F)nc(F)n5)n34)nc2C)s1,ZNQFWYIRBWHFAY-UHFFFAOYSA-N,3,1,0.394,7,185,454.426,2.364,5,0.288,0.64,1.0,0.4578764306764444,0.39186827496401894,0.03088376396408745,0.030506819272154068,0.2277838222191762
EOS-3-47321,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)[nH]c1F,FKWGUTIOCQRQOG-UHFFFAOYSA-N,3,1,0.461,13,145,420.835,5.075,5,0.438,0.68,1.0,0.6651960112398053,0.7508395586320334,0.8120502364471249,0.8306490302241107,0.7646837091357686
EOS-3-47322,Cc1ccc(OCc2cnc(Cl)c(F)c2)c(-c2cncc3nnc(-c4cscn4)n23)n1,DVTZPZDBKDKZSO-UHFFFAOYSA-N,3,1,0.32,46,155,453.89,4.385,5,0.364,0.6,0.977,0.3579946542389144,0.41564149133027206,0.547477897333973,0.548043314371873,0.4672893393187581
EOS-3-47323,Cc1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)ccc1C#N,ZXCQHHDHYFPSJP-UHFFFAOYSA-N,3,1,0.38,62,3,438.441,5.638,5,0.363,0.77,0.998,0.32190219998629294,0.45115139469536014,0.9734168322938798,0.9628024124460284,0.6773182098553903
EOS-3-47324,Cc1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cn(C)nc6C)cc5F)n34)cn2)ccn1,SMDIFXHVFLXDEP-UHFFFAOYSA-N,3,1,0.299,42,106,477.507,4.467,6,0.369,0.65,0.996,0.18209855390309096,0.21800253580974574,0.5271571516688369,0.45204235487629363,0.3448251490644918
EOS-3-47325,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cc(C)n2)n1,QHGFNMRWRXDKNK-UHFFFAOYSA-N,3,1,0.5,59,910,462.435,4.861,5,0.347,0.67,1.0,0.8626379274895484,0.8173788636830923,0.9023284901651704,0.8516037283256802,0.8584872524158728
EOS-3-47326,COc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)c(F)n4)n23)ncc1F,MSIVSHBOUKJUAI-UHFFFAOYSA-N,3,1,0.449,49,814,467.461,3.613,5,0.335,0.61,0.508,0.662189020629155,0.5693149886916592,0.39258789664861904,0.31845829620999244,0.4856375505448564
EOS-3-47327,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc(=N)[nH]2)s1,FRFYXCFNIFGNCR-UHFFFAOYSA-N,3,1,0.614,59,294,467.917,4.402,5,0.398,0.66,1.0,0.6153879103556987,0.5741553012130766,0.7665684325954355,0.7331745596600644,0.6723215509560688
EOS-3-47328,N=c1[nH]c(-c2cnnc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)ncc1F,MFAKBMAITASXQE-UHFFFAOYSA-N,3,1,0.33,73,511,436.798,2.431,5,0.437,0.5,1.0,0.5304211500239874,0.4959906791857995,0.28529573024467136,0.3245236789801933,0.40905780960866284
EOS-3-47329,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)nn2)cn1,OZLYNTZJQHBELS-UHFFFAOYSA-N,3,1,0.452,73,212,469.362,3.228,5,0.346,0.56,1.0,0.7646922760605853,0.8865910492769515,0.732951819614831,0.7250017133849633,0.7773092145843328
EOS-3-47330,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4Cl)n23)c1F,PVUSBYKXRZGKTC-UHFFFAOYSA-N,3,1,0.522,37,832,463.904,4.309,5,0.373,0.58,1.0,0.6834521280241245,0.7188420944417792,0.7069769035706943,0.6689140566102392,0.6945462956617092
EOS-3-47331,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5cccc(F)n5)nn4)n23)cc1,OAJXDEYHASHGOL-UHFFFAOYSA-N,3,1,0.461,67,415,482.443,1.947,6,0.321,0.66,1.0,0.5612278116647248,0.4864728257144815,0.04993660475635666,0.06523713247892536,0.2907185936536221
EOS-3-47332,COc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)nc1,UBAUZNVZVKLORQ-UHFFFAOYSA-N,3,1,0.517,27,69,480.41,3.645,5,0.359,0.63,1.0,0.8120588033719416,0.8324652182852443,0.8466606127064629,0.6226440956754163,0.7784571825097663
EOS-3-47333,Cn1cncc1-c1cc(F)nc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)c1,CURMYTDQLHWVHF-UHFFFAOYSA-N,3,1,0.396,6,414,480.467,3.157,6,0.331,0.65,0.903,0.4029196079775204,0.29509629223493933,0.27418442875745325,0.22866835720649717,0.30021717154410255
EOS-3-47334,COc1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)ccc1-c1ccc(C)cn1,ROASBUXVDJHLSA-UHFFFAOYSA-N,3,1,0.457,1,209,443.894,5.616,5,0.351,0.8,1.0,0.7760777191419368,0.6805051058871907,0.8419402371324789,0.7857069426358714,0.7710575011993694
EOS-3-47335,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n(C)n2)n(C(C)C)n1,XGYBIFUJSSMYET-UHFFFAOYSA-N,3,1,0.293,98,945,476.548,4.402,6,0.363,0.67,0.66,0.04538756767870605,0.05262661914879035,0.06515146323075868,0.054674114179973955,0.05445994105955726
EOS-3-47336,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnnc(-c5ncccn5)n4)n23)nc1,LOKIYRHNTRZFPQ-UHFFFAOYSA-N,3,1,0.265,86,953,450.401,2.091,6,0.389,0.43,0.721,0.20434685765197724,0.23846891919676513,0.04472791446782263,0.08506099650469467,0.14315117195531493
EOS-3-47337,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)nc1F,NWKMKIBCZNJOIR-UHFFFAOYSA-N,3,1,0.512,16,256,453.89,4.385,5,0.364,0.59,1.0,0.860222054691248,0.8017099581934068,0.5098348296895346,0.5318004249194709,0.675891816873415
EOS-3-47338,N#Cc1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)c(F)c4)n23)cc1,FISBFUCETBKOCW-UHFFFAOYSA-N,3,1,0.453,96,3,410.387,4.67,5,0.432,0.79,1.0,0.40949900623672125,0.6462716743197862,0.9604722088958947,0.9670087725310123,0.7458129154958536
EOS-3-47339,Cc1nc(C)c(-c2nnc3cncc(OCc4nnc(-c5ccns5)s4)n23)s1,LWVXHVODJAPGSY-UHFFFAOYSA-N,3,1,0.435,92,587,428.528,3.419,5,0.419,0.51,1.0,0.13515180590775136,0.11681858680008224,0.0029812898362003974,0.001336440271400178,0.06407203070385854
EOS-3-47341,NC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)cc(F)c(F)c4F)n23)s1,HCWQLUSDLLVNIJ-UHFFFAOYSA-N,3,1,0.404,90,244,423.351,3.087,4,0.302,0.69,0.998,0.540487286683572,0.3152371324789254,0.8355236104447947,0.8059334521280241,0.624295370433829
EOS-3-47342,c1cncc(-c2ccccc2-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1,FIHOIYHMUXVDKY-UHFFFAOYSA-N,3,1,0.307,41,174,432.512,5.644,6,0.36,0.8,1.0,0.07943252690014392,0.10121821670893016,0.6993352066342265,0.7513707079706669,0.4078391645534919
EOS-3-47343,COc1cc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5nc(C)c(F)[nH]5)nc4)n23)c1,UUYACWAFWAWHOU-UHFFFAOYSA-N,3,1,0.478,16,109,465.876,4.265,5,0.399,0.6,1.0,0.7586011925159345,0.7934171749708725,0.6884552121170585,0.6140172023850319,0.7136226954972243
EOS-3-47344,Fc1cnc(-c2ncc(Cl)cn2)c(-c2nnc3cncc(-c4ccc(-c5ccncc5)nc4)n23)c1,MFTPKOMZPOPMJN-UHFFFAOYSA-N,3,1,0.312,42,902,481.882,4.56,6,0.36,0.7,1.0,0.31965766568432596,0.42461962853813995,0.5372232883284216,0.6373620725104516,0.47971566376533475
EOS-3-47345,Fc1cc(CCOc2cncc3nnc(-c4cnnc(-c5ncccn5)c4)n23)ccn1,HVEAWHJXEAXZHX-UHFFFAOYSA-N,3,1,0.483,65,65,415.392,2.194,5,0.385,0.61,1.0,0.734887944623398,0.695068878075526,0.23100712768144746,0.22867692413131382,0.47241021862792126
EOS-3-47346,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cc(Cl)ncn5)nc4)n23)cn1,XCSGLUHEFMSHEH-UHFFFAOYSA-N,3,1,0.456,55,283,452.812,3.549,5,0.294,0.65,1.0,0.8537368926050305,0.8587828113220478,0.778005277225687,0.7740302241107532,0.8161388013158797
EOS-3-47347,Fc1cccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccnc(Cl)c5)c4)n23)c1,ZAJNJNSEOZOKTC-UHFFFAOYSA-N,3,1,0.662,88,222,463.875,5.406,5,0.315,0.8,1.0,0.9859502433006648,0.9852648893153314,0.9589815639777945,0.9670173394558289,0.974303509012405
EOS-3-47348,Cn1cnc(-c2cnc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cc2Cl)c1,QRFKQFHCAPXANE-UHFFFAOYSA-N,3,1,0.424,31,954,467.32,3.91,5,0.35,0.57,1.0,0.6041309711465972,0.5413868137893222,0.4507144815297101,0.52483551504352,0.5302669453772874
EOS-3-47349,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)ncn4)n23)nc1,KETZXZSZTHTHCZ-UHFFFAOYSA-N,3,1,0.412,46,354,414.404,3.065,5,0.404,0.63,0.999,0.5404958536083887,0.5276883010074703,0.3925964635734357,0.33428140634637793,0.44876550613391814
EOS-3-47350,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnco5)no4)n23)cc1,DEZIDSJSSCQBPF-UHFFFAOYSA-N,3,1,0.315,98,882,412.373,2.292,6,0.424,0.62,1.0,0.07711945719964361,0.05263518607360702,0.07582585155232678,0.08166849427729422,0.0718122472757179
EOS-3-47351,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnc(C(F)(F)c5ccccc5)nc4)n23)nc1,JJUQEKQXJDCDDD-UHFFFAOYSA-N,3,1,0.303,42,945,481.47,4.184,6,0.364,0.66,0.861,0.2316582139675142,0.22843705023644711,0.7711431704475361,0.6489274210129532,0.4700414639161126
EOS-3-47352,FCc1cc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)ccn1,BKFQZOZDOAWKPX-UHFFFAOYSA-N,3,1,0.392,46,160,465.851,4.484,5,0.341,0.63,1.0,0.6621975875539716,0.5987338085120965,0.8284473305462271,0.8146974162154753,0.7260190357069426
EOS-3-47353,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C(F)(F)F)nc5F)cc4)n23)cn1,TWZJRWFUPHVWEC-UHFFFAOYSA-N,3,1,0.468,96,558,479.397,4.172,5,0.306,0.73,1.0,0.3694657665684326,0.4511599616201768,0.9412137619080255,0.8742204098416833,0.6590149749845795
EOS-3-47354,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnnn5C)cnc4CC)n23)cc1,WGOKPXZLPGHTMQ-UHFFFAOYSA-N,3,1,0.464,89,398,483.536,2.873,5,0.357,0.64,1.0,0.20719107669111095,0.06790144609690905,0.10975944075114796,0.04161812075937221,0.10661752107463504
EOS-3-47355,Clc1ccc(Cl)c(-c2ncncc2COc2cncc3nnc(-c4ccsc4)n23)c1,OFAZLGOCIRVBAO-UHFFFAOYSA-N,3,1,0.477,73,772,455.33,5.196,5,0.363,0.73,1.0,0.618086491672949,0.49109039819066547,0.7687872661229525,0.8463779041875128,0.68108551504352
EOS-3-47356,Cc1nnc(-c2cc(F)nc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c2)s1,XDCGRBMXVMXHMP-UHFFFAOYSA-N,3,1,0.411,46,223,472.868,3.919,5,0.354,0.64,1.0,0.4798505928311973,0.5138784182030018,0.45448392844904395,0.5115653485025016,0.48994457199643615
EOS-3-47357,COc1cc(-c2ccc(C)nn2)ccc1-c1cncc2nnc(-c3ccc(C(=O)N(C)C)cc3F)n12,NJWBQCTVQSKKTK-UHFFFAOYSA-N,3,1,0.375,62,697,483.507,4.073,5,0.372,0.71,0.997,0.4256305256665068,0.42018196148310605,0.47502741415941335,0.287471729148105,0.4020779076142828
EOS-3-47358,FC(F)c1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)n1,SVPVPIDBHGZGCN-UHFFFAOYSA-N,3,1,0.453,75,420,481.854,3.646,5,0.343,0.64,1.0,0.822570420121993,0.8017185251182236,0.41388527174285517,0.4012490576382702,0.6098558186553356
EOS-3-47359,Fc1ccc(-c2cc(OCc3ccccc3)ccc2-c2nnc3cncc(F)n23)cc1,CDOLXOZADSLKRT-UHFFFAOYSA-N,3,1,0.507,79,480,414.415,5.316,5,0.391,0.85,1.0,0.7348965115482147,0.832473785210061,0.9604807758207115,0.9620742238366116,0.8724813241038998
EOS-3-47360,FC(F)c1nccc(COc2cncc3nnc(-c4ccc(Cl)c(-c5cscn5)c4)n23)n1,DYUDVILUVLRVIW-UHFFFAOYSA-N,3,1,0.5,27,911,471.88,4.875,5,0.348,0.75,1.0,0.7846532108834213,0.8920139126859022,0.7250702487834967,0.7032845589747104,0.7762554828318827
EOS-3-47361,Cc1cccc(OCc2cncc3nnc(-c4ccc(-c5ncn(C)n5)c(C)n4)n23)n1,KSLJLIJYZCUWQR-UHFFFAOYSA-N,3,1,0.294,85,60,413.445,2.573,5,0.432,0.6,0.678,0.1653502158865054,0.12017682132821603,0.055667877458707424,0.024878349667603317,0.09151831608525804
EOS-3-47362,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(F)cn5)s4)n23)c(Cl)c1,NMXGGHSCTINXFZ-UHFFFAOYSA-N,3,1,0.478,73,665,482.888,3.175,5,0.39,0.62,1.0,0.6180950585977657,0.527696867932287,0.22728908231101363,0.25499451716811733,0.4070188815022959
EOS-3-47363,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccn2)ncn1,RVALSLOGXHFNOL-UHFFFAOYSA-N,3,1,0.488,75,359,411.429,2.363,5,0.415,0.65,1.0,0.5699832088273593,0.310062709889658,0.09004694674799534,0.06524569940374203,0.2588346412171887
EOS-3-47364,CCCc1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(-n6cccn6)cn5)n34)cn2)ccn1,IQADVYMPSGLMLW-UHFFFAOYSA-N,3,1,0.299,6,547,473.544,4.372,6,0.339,0.64,1.0,0.07333287643067644,0.06024261531080803,0.25579124117606744,0.2196645192241793,0.1522578130354328
EOS-3-47365,Cc1c(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)cnc(Cl)c1F,JWDMYEYZRYOHMM-UHFFFAOYSA-N,3,1,0.489,16,353,467.867,4.406,5,0.356,0.63,1.0,0.8170875882393256,0.8289870468096772,0.8229302309642931,0.7880371461860051,0.8142605030498252
EOS-3-47366,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4F)n23)ccc1-c1ccccn1,DKKOHKVKVAQABE-UHFFFAOYSA-N,3,1,0.417,49,501,463.86,4.023,5,0.348,0.57,0.993,0.7874631622232884,0.6561236378589541,0.5994791309711466,0.5417466246316223,0.6462031389212528
EOS-3-47367,Cn1nnnc1COc1cncc2nnc(-c3cc(-c4ccc(C#N)cn4)cnn3)n12,OFSIOELZLULNRF-UHFFFAOYSA-N,3,1,0.347,53,105,412.377,0.617,5,0.398,0.66,1.0,0.24817524501404975,0.15671475567130422,0.028673497361387155,0.04031594818723871,0.11846986155849495
EOS-3-47368,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)nn1,APWLAKOLTRCSPL-UHFFFAOYSA-N,3,1,0.531,53,778,411.429,2.363,5,0.415,0.66,1.0,0.5612363785895415,0.36333184839969845,0.15064080597628676,0.12951476937838394,0.30118095058597766
EOS-3-47369,ClCc1cc(COc2cncc3nnc(-c4ccnc(-c5cccs5)c4)n23)on1,ZXUVWRNQGBWHQJ-UHFFFAOYSA-N,3,1,0.543,24,912,424.873,4.221,5,0.377,0.66,1.0,0.3986789801932698,0.4110324857789048,0.3144318415461586,0.3215680899184429,0.36142784935919403
EOS-3-47370,Cc1ccnc(-c2ccnc(-c3cncc4nnc(-c5cc(F)cnc5-c5csnn5)n34)c2)n1,ZKJPAARSZPPODE-UHFFFAOYSA-N,3,1,0.284,86,902,468.481,3.671,6,0.381,0.53,1.0,0.17067884312247275,0.2639469536015352,0.18242409704612433,0.22531012267836337,0.21059000411212392
EOS-3-47371,Cc1nc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)sc1-c1cnco1,OROJXBLUUJLFAH-UHFFFAOYSA-N,3,1,0.438,46,109,442.863,4.583,5,0.393,0.6,1.0,0.5405044205332054,0.505105887190734,0.45072304845452676,0.5350815571242546,0.5078537283256802
EOS-3-47372,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5F)c4)n23)ccc1Cl,SBHJNWVDCRECOL-UHFFFAOYSA-N,3,1,0.724,88,222,463.875,5.406,5,0.337,0.77,1.0,0.9622027277088616,0.9617572476183949,0.9609947913097114,0.969570283051196,0.9636312624220409
EOS-3-47373,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)cn1,WRPMYGRHDRRCSC-UHFFFAOYSA-N,3,1,0.452,54,873,414.404,2.799,5,0.391,0.61,1.0,0.6955143581659927,0.5368120759372216,0.37013398670413267,0.3762079363991502,0.4946670893016243
EOS-3-47374,Fc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)ncn2)c1,ZEPPYUHATPUWDR-UHFFFAOYSA-N,3,1,0.365,13,971,439.332,3.992,5,0.309,0.64,0.966,0.7199215269686793,0.7052206839832773,0.9351569460626413,0.9298711534507573,0.8225425776163388
EOS-3-47375,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)c(Cl)n5)c4)n23)cn1,OKOUGKSKDRWLMP-UHFFFAOYSA-N,3,1,0.506,84,76,465.851,4.196,5,0.347,0.59,1.0,0.8942413131382358,0.8968285244328695,0.8284558974710438,0.8326965252552944,0.8630555650743609
EOS-3-47376,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c1,KVKMZBFTUPWHPH-UHFFFAOYSA-N,3,1,0.489,59,607,466.879,5.185,5,0.344,0.71,1.0,0.7229799191282297,0.709769721060928,0.9280463984648071,0.9236858337331232,0.821120468096772
EOS-3-47377,Fc1c(Cl)cncc1COc1cncc2nnc(-c3csc(-c4cscn4)c3)n12,BQHNLFSCIGWTDA-UHFFFAOYSA-N,3,1,0.448,55,564,444.904,4.743,5,0.389,0.63,1.0,0.6069409224864643,0.5368206428620382,0.6939380439997258,0.727614625454047,0.6413285587005688
EOS-3-47378,FCc1cc(-c2cc(-c3nnc4cncc(COCc5ncc(F)s5)n34)ccn2)ccn1,HURCXPOUCKRBLG-UHFFFAOYSA-N,3,1,0.424,85,767,451.462,4.03,5,0.369,0.54,1.0,0.407263038859571,0.35369405798094716,0.43255260091837433,0.4204132684531561,0.40348074155301217
EOS-3-47379,CC=Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)c5)cn4)n23)cc1,BXCPOXBYEYMMFR-UHFFFAOYSA-N,3,1,0.375,96,680,424.895,5.602,5,0.351,0.86,1.0,0.29657837022822287,0.4337348365430745,0.7974693304091564,0.7790247412788706,0.576701819614831
EOS-3-47380,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(Cl)c4)n23)cc1Cl,YQIBAWZKVMQFTI-UHFFFAOYSA-N,3,1,0.684,59,13,467.291,5.273,5,0.35,0.72,1.0,0.9846652045781646,0.9673857172229456,0.9562144472620109,0.9660064423274621,0.9685679528476459
EOS-3-47381,CCOc1nc(C)nc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)n1,BALPTTVTSCJBRK-UHFFFAOYSA-N,3,1,0.388,51,48,476.888,2.768,5,0.342,0.61,0.945,0.5726303885957097,0.560448221506408,0.036143855801521484,0.024886916592419987,0.2985273456240148
EOS-3-47382,Fc1cc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c(F)c2)ccn1,FGVCUDXVCDWZKR-UHFFFAOYSA-N,3,1,0.453,57,913,435.821,5.577,5,0.345,0.78,1.0,0.7986001644849565,0.9334778287985744,0.9676941265163457,0.9767236652731136,0.9191239462682476
EOS-3-47383,Cc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)ncn2)c1F,VHNGXIYODQBVDI-UHFFFAOYSA-N,3,1,0.544,34,146,464.863,5.067,5,0.361,0.71,1.0,0.8958861627030361,0.9592471386471112,0.9189825920087725,0.9204561030772394,0.9236429991090398
EOS-3-47384,FC(F)(F)c1cnc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)nc1,SZAMKXFNYOQCES-UHFFFAOYSA-N,3,1,0.525,27,921,455.425,4.303,5,0.39,0.55,1.0,0.67428551847029,0.6411657871290521,0.8966657528613529,0.8125556850113084,0.7561681858680008
EOS-3-47385,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)cc1,XHWJIPSPXNHFDY-UHFFFAOYSA-N,3,1,0.351,32,653,441.451,4.771,6,0.389,0.58,0.962,0.2990199438009732,0.5093636488246179,0.47861695565759715,0.5643890069220753,0.46284738880131593
EOS-3-47387,Cc1ncc(-c2ccc(Cl)c(-c3nnc4cncc(-c5ccc(-c6ccncn6)cc5)n34)c2)nn1,CCAKISAAHKTADF-UHFFFAOYSA-N,3,1,0.333,9,339,477.919,4.729,6,0.358,0.67,1.0,0.2938283873620725,0.3633404153245151,0.5994876978959632,0.6403005277225687,0.4742392570762799
EOS-3-47388,CCc1ccnc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c1,SQXAJIIZXNJUCC-UHFFFAOYSA-N,3,1,0.506,75,420,410.441,3.18,5,0.42,0.7,1.0,0.3716417654718662,0.32948392844904395,0.23101569460626414,0.15572099239257076,0.27196559522993624
EOS-3-47389,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)o1,KMSWYPKNFVCNBD-UHFFFAOYSA-N,3,1,0.494,59,439,454.824,4.66,5,0.357,0.61,1.0,0.8579346857651977,0.7892193818107053,0.8918854088136523,0.8742289767664999,0.8533171132890138
EOS-3-47390,COc1nc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1ccccn1,ZUMJIMHNEHFQAA-UHFFFAOYSA-N,3,1,0.457,49,501,477.887,4.066,5,0.346,0.63,0.967,0.7409019258446988,0.6514375299842369,0.4507316153793434,0.4391062984031252,0.5705443424028511
EOS-3-47391,Cc1c[nH]nc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nncs5)n4)n23)cc1,QVXWEOVIRIAWND-UHFFFAOYSA-N,3,1,0.455,71,117,468.506,3.377,6,0.39,0.56,0.986,0.40727160578438765,0.45995819340689464,0.09445891302857926,0.08333904461654444,0.2612569392091015
EOS-3-47392,Fc1ccc(COc2ccccc2-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)cc1F,QDJDSANETJYFDR-UHFFFAOYSA-N,3,1,0.393,10,673,483.442,3.686,6,0.353,0.72,1.0,0.08837639640874512,0.27931601672263723,0.7455280652456994,0.7303988760194641,0.46090483859913645
EOS-3-47393,COc1ncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ncc(F)cn1,OVHDDTXSZYSUGX-UHFFFAOYSA-N,3,1,0.44,87,173,478.875,3.461,5,0.324,0.68,1.0,0.7559283119731341,0.7002433006647933,0.31444040847097526,0.2966040710026729,0.5168040230278939
EOS-3-47394,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cc(C)nn4C)n23)c1,JWGZRYWDISWXHV-UHFFFAOYSA-N,3,1,0.385,92,905,415.461,2.691,5,0.42,0.61,0.999,0.1489274210129532,0.10122678363374683,0.12135049002809951,0.062058803371941605,0.10839087451168528
EOS-3-47395,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)nn4)n23)cc1F,GSBYAZPZDAAVHI-UHFFFAOYSA-N,3,1,0.506,20,353,451.853,2.791,5,0.387,0.46,1.0,0.7559368788979508,0.8058563498046741,0.24173291755191556,0.2935885134672058,0.5242786649304366
EOS-3-47396,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)cn5)cc4)n23)c(F)c1,YLSIDRQBURYWRE-UHFFFAOYSA-N,3,1,0.354,9,642,483.898,4.503,6,0.364,0.75,1.0,0.26142827770543486,0.4246281954629566,0.6588136522513879,0.7118172160921116,0.5141718353779727
EOS-3-47397,Fc1cccc(-c2cccnc2-c2nnc3cncc(-c4ccc(-c5ncco5)cc4F)n23)c1,RYLRDLSASJWYCB-UHFFFAOYSA-N,3,1,0.354,69,484,452.424,5.454,6,0.354,0.73,1.0,0.24263244465766567,0.3537026249057638,0.8592025906380646,0.885545884449318,0.585270886162703
EOS-3-47398,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccco6)cc5)n34)cn2)nc1,GTAKFXLQTXRWOK-UHFFFAOYSA-N,3,1,0.313,32,479,416.444,5.175,6,0.394,0.78,1.0,0.09808272222602975,0.09175176478651223,0.6805479405112741,0.6922503598108423,0.3906581968336646
EOS-3-47399,N#Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2F)nc1,GFKUCOCFSIDZAR-UHFFFAOYSA-N,3,1,0.483,13,145,460.831,5.449,5,0.354,0.73,1.0,0.9253221163731067,0.944734768007676,0.9766122952504969,0.9812641354259475,0.9569833287643068
EOS-3-47400,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)s2)nn1,ZJQTUMSWIMIKMO-UHFFFAOYSA-N,3,1,0.316,76,114,450.491,3.532,6,0.397,0.48,0.661,0.04246624631622233,0.0822339113151943,0.038893838667671855,0.054682681104790624,0.054569169350969775
EOS-3-47401,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)c(F)nc1F,XEWMELOAZQXQLV-UHFFFAOYSA-N,3,1,0.402,46,128,470.802,3.688,5,0.358,0.56,1.0,0.7291309711465972,0.8427369611404291,0.7888424371187719,0.8015300527722569,0.7905601055445138
EOS-3-47402,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccsc6)no5)n34)cc2)n1C,WFFPWGUXWJMCFF-UHFFFAOYSA-N,3,1,0.436,56,8,470.518,4.191,6,0.356,0.61,1.0,0.46975018847234595,0.3826416969364677,0.15064937290110342,0.11638167363443218,0.2798557329860873
EOS-3-47403,Cc1nnc(-c2cccc(-c3nnc4cncc(OC5Cc6ccncc6C5)n34)c2)s1,FICKBKDRSXIPNS-UHFFFAOYSA-N,3,1,0.432,15,628,427.493,3.559,6,0.433,0.51,1.0,0.4414793365773422,0.42463676238777326,0.2741929956822699,0.28748029607292164,0.35694734768007674
EOS-3-47404,CCc1nc(-c2nnc3cncc(OCc4cnc(C#N)c(Cl)c4)n23)ccc1-c1nccn1C,JZXRIGBCAGTPGU-UHFFFAOYSA-N,3,1,0.418,31,717,471.912,3.648,5,0.368,0.58,0.693,0.5172452196559523,0.49599924611061613,0.285304297169488,0.26979816325131933,0.3920867315468439
EOS-3-47405,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c(F)c2)c1,LVCPVDPXZUXQLL-UHFFFAOYSA-N,3,1,0.483,59,89,468.826,4.898,5,0.341,0.71,1.0,0.9544496607497772,0.9480844356109931,0.9662206154478789,0.9700243300664794,0.9596947604687821
EOS-3-47406,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cscn1,LYBDMOPGBSSKIU-UHFFFAOYSA-N,3,1,0.484,49,501,465.926,3.988,5,0.355,0.57,0.955,0.6181036255225825,0.5741638681378932,0.252527242820917,0.2314526077719142,0.4190618360633267
EOS-3-47408,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)cnn4)n23)ccn1,DVSAHRXRUCIMLS-UHFFFAOYSA-N,3,1,0.44,65,466,415.392,2.194,5,0.385,0.59,1.0,0.6181121924473991,0.5232249331779865,0.30353471317935715,0.29661263792748954,0.4353711191830581
EOS-3-47409,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)o1,WKHIFWIACIHKQX-UHFFFAOYSA-N,3,1,0.684,59,13,453.836,5.265,5,0.361,0.69,1.0,0.9622112946336783,0.9122832568021383,0.9492409704612432,0.9419419505174422,0.9414193681036256
EOS-3-47410,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc(-c2ccncc2F)n1,XKVVLLZNGOAHRW-UHFFFAOYSA-N,3,1,0.457,55,390,448.849,3.718,5,0.375,0.52,1.0,0.6922503598108423,0.8427455280652457,0.5438283873620725,0.5513758481255568,0.6575500308409294
EOS-3-47411,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cscn5)cnn4)n23)ccn1,IZMKMALPTFRRBM-UHFFFAOYSA-N,3,1,0.44,18,873,420.433,2.86,5,0.386,0.55,1.0,0.5457473785210061,0.4556918648481941,0.29977383318483997,0.3062247275717908,0.40185945103145776
EOS-3-47412,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)c2)cs1,WTBDETJYFDXENI-UHFFFAOYSA-N,3,1,0.563,11,684,466.929,5.032,5,0.326,0.76,1.0,0.9054468507984373,0.918091631827839,0.7094441779178946,0.7090329655266946,0.8105039065177164
EOS-3-47413,CC(O)(CO)c1ncc(-c2nnc3cncc(-c4cncc(-c5cccc(F)c5)c4)n23)s1,UFJIVLJHXPNEIU-UHFFFAOYSA-N,3,1,0.341,82,859,448.483,3.316,5,0.424,0.51,1.0,0.3067387430607909,0.43374340346789114,0.5962236995408128,0.5643975738468919,0.47527585497909663
EOS-3-47414,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cc1F,WFNKWTNMKUKDJL-UHFFFAOYSA-N,3,1,0.529,75,583,461.888,4.366,5,0.347,0.6,1.0,0.8714704269755329,0.8095401274758413,0.717145843328079,0.7032931258995271,0.7753623809197451
EOS-3-47415,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cn4)n23)cc(Cl)n1,JVNGTOYCSHUCCH-UHFFFAOYSA-N,3,1,0.461,59,153,464.863,5.067,5,0.338,0.74,1.0,0.9102100609965047,0.8674268384620657,0.9237972037557398,0.9193766705503392,0.9052026934411623
EOS-3-47416,Cc1cncc(OCc2cncc3nnc(-c4cc(F)c(-c5ncc(Cl)cn5)cn4)n23)n1,QWWVHBQOVTWKAH-UHFFFAOYSA-N,3,1,0.361,7,775,449.837,3.113,5,0.398,0.47,1.0,0.6153964772805154,0.5896100335823453,0.26664553491878557,0.29068432595435545,0.4405840929340004
EOS-3-47417,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)cnn2)s1,AQDNCHFBJBJPCY-UHFFFAOYSA-N,3,1,0.441,53,602,470.881,2.612,5,0.365,0.54,0.931,0.5838187924062779,0.6658899321499554,0.04811184977040642,0.09651497498457953,0.3485838873278048
EOS-3-47418,CCCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cc4Cl)n23)cc1,OADVGOMGIVIICC-UHFFFAOYSA-N,3,1,0.474,66,12,490.873,4.577,4,0.407,0.92,1.0,0.6497241450209033,0.6268076211363169,0.9000496881639367,0.792706120211089,0.7423218936330614
EOS-3-47419,FC(F)(F)c1cc(-c2nnc3cncc(OCc4cccc(-c5ncon5)n4)n23)ccc1Cl,AUMJKFHPGBSKJI-UHFFFAOYSA-N,3,1,0.511,27,343,473.802,4.488,5,0.368,0.65,1.0,0.809497292851758,0.8759337948050168,0.945120279624426,0.9038791035569872,0.883607617709547
EOS-3-47420,c1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cncs6)s5)n34)cn2)cc1,FLIZUDLTJFCUAV-UHFFFAOYSA-N,3,1,0.373,32,106,439.529,5.1,6,0.38,0.64,1.0,0.1160561304913988,0.14145706257281887,0.3144489753957919,0.36967993968884927,0.2354105270372147
EOS-3-47421,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)nc1,GICIJWWHWNDBJK-UHFFFAOYSA-N,3,1,0.427,65,658,412.417,1.758,5,0.406,0.61,1.0,0.489659721746282,0.3872164347885683,0.03890240559248852,0.032511479679254336,0.2370725104516483
EOS-3-47422,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(C)c2)cs1,KFAUNUBJTMJFBS-UHFFFAOYSA-N,3,1,0.5,11,684,462.966,5.202,5,0.323,0.79,1.0,0.6742940853951066,0.7892279487355219,0.5638150229593585,0.5183246521828524,0.6364154273182099
EOS-3-47423,Fc1cncc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)c1,UCSLTHBWYIPDDD-UHFFFAOYSA-N,3,1,0.696,88,222,463.875,5.406,5,0.337,0.76,1.0,0.9305051058871907,0.9447433349324926,0.9536786375162771,0.9654495922143788,0.9485941676375849
EOS-3-47424,Cc1cnn(-c2cccc(-c3cncc4nnc(-c5cnc(-c6ccnc(Cl)c6)cn5)n34)n2)n1,DUPOFWPDURBGMF-UHFFFAOYSA-N,3,1,0.245,86,72,467.884,3.248,6,0.359,0.54,0.439,0.005182989514084024,0.10430230964293058,0.12955760400246727,0.18821533822219177,0.10681456034541842
EOS-3-47425,Cc1cnc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ncc(F)cn5)c4)n23)cn1,DCANOUOIILZZHG-UHFFFAOYSA-N,3,1,0.453,20,775,463.864,3.156,5,0.35,0.52,0.994,0.7677421012953191,0.7723511068466863,0.21657185936536222,0.24589644301281613,0.500640377630046
EOS-3-47426,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c(Cl)c2)ccn1,BPBASVZFZOTTAX-UHFFFAOYSA-N,3,1,0.675,91,660,459.912,5.576,5,0.332,0.8,1.0,0.9292800356384072,0.9617658145432115,0.9141765471866219,0.9151617435405387,0.9300960352271949
EOS-3-47427,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5c(C)nn(C)c5Cl)n34)c2)ccn1,CRNCXMJKCUAHPF-UHFFFAOYSA-N,3,1,0.524,15,655,459.941,4.479,5,0.372,0.6,1.0,0.42312898362003976,0.5647659516140087,0.3399612774998287,0.3633918168734151,0.42281200740182306
EOS-3-47428,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)nc1F,KLPGYGAEMBIGCP-UHFFFAOYSA-N,3,1,0.381,31,814,451.853,2.791,5,0.286,0.61,0.987,0.5641748338016586,0.5460986224384895,0.2310242615310808,0.26716811733260226,0.4021164587759578
EOS-3-47429,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nncn6C)ccc5Cl)n34)nc2)n1C,LIZSLUGGJOXJGT-UHFFFAOYSA-N,3,1,0.284,98,314,482.939,4.011,6,0.374,0.69,1.0,0.16535878281132205,0.29999657323007334,0.3255003084092934,0.34382496059214585,0.2836701562607087
EOS-3-47430,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5scnc5C)n34)c(Cl)c2)cs1,XSUHCFUYHQSLIJ-UHFFFAOYSA-N,3,1,0.483,4,684,454.968,5.221,5,0.362,0.72,1.0,0.6011068466863135,0.7280258378452471,0.3218165307381262,0.33751113700226165,0.49711508806798715
EOS-3-47431,Cc1cc(-c2nnc3cncc(OCCc4oc(C)nc4Cl)n23)cc(-c2ccccn2)n1,XCGQMOSKKWDVRL-UHFFFAOYSA-N,3,1,0.5,58,583,447.886,4.128,5,0.382,0.57,1.0,0.6527054348571036,0.5846583510383113,0.182432663970941,0.18822390514700843,0.4020050887533411
EOS-3-47432,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)s2)n(C)n1,ZGZAOOMNIXXDPL-UHFFFAOYSA-N,3,1,0.325,76,750,468.521,4.825,6,0.369,0.65,1.0,0.13263313001165103,0.31524569940374203,0.24886916592419986,0.3310945103145775,0.25696062641354256
EOS-3-47433,N#Cc1ccc(F)c(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccnc6F)c5)n34)cn2)c1,LTMUHEKGGHPNSD-UHFFFAOYSA-N,3,1,0.312,10,673,477.438,4.251,6,0.349,0.64,0.996,0.024381468028236583,0.2793245836474539,0.8607446371050648,0.864942430265232,0.5073482797614968
EOS-3-47434,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1Cl,MPZJTERKWFQJDL-UHFFFAOYSA-N,3,1,0.693,59,96,469.307,5.217,5,0.353,0.72,1.0,0.9429100130217257,0.894498320882736,0.9536872044410938,0.9598125556850113,0.9377270235076417
EOS-3-47435,Clc1cc(-c2ccnc(Oc3cncc4nnc(-c5ccc(Br)cc5)n34)n2)ccn1,PISNRQVTCPMQQA-UHFFFAOYSA-N,3,1,0.462,13,232,480.713,4.852,5,0.34,0.78,1.0,0.8421372764032623,0.852614625454047,0.6751679117264067,0.7033016928243437,0.768305376602015
EOS-3-47436,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)n6)nc5)n34)cc2)nc(C)n1,BACXPHMCQYKRAU-UHFFFAOYSA-N,3,1,0.298,42,339,475.491,4.523,6,0.343,0.65,1.0,0.3172417928860256,0.3490336508806799,0.4073058734836543,0.3794633678294839,0.36326117126996094
EOS-3-47437,COCc1ncc(-c2cnnc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)cc1F,DIFDLHXHVPAOOZ-UHFFFAOYSA-N,3,1,0.38,46,511,478.875,3.556,5,0.346,0.61,1.0,0.5431430333767391,0.5185131245288191,0.6115070934137482,0.6015351929271469,0.5686746110616133
EOS-3-47438,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccsc6)s5)n34)cn2)nc1,LSOKCRNVVICZFB-UHFFFAOYSA-N,3,1,0.312,70,191,458.507,4.634,6,0.38,0.58,0.989,0.18210712082790761,0.3152542663285587,0.26290178877390175,0.35346275101089714,0.2784314817353163
EOS-3-47439,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5csnn5)c4)n23)c(F)cn1,BHSVIYLWGBIQOV-UHFFFAOYSA-N,3,1,0.466,55,486,424.396,2.957,5,0.397,0.55,1.0,0.5354413679665547,0.5005140154890001,0.5438369542868892,0.5350901240490713,0.5287206154478789
EOS-3-47440,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cnnc(-c4ccccc4)c3)n12,OTCKOYXVFPMETB-UHFFFAOYSA-N,3,1,0.523,19,265,447.861,4.057,5,0.387,0.49,0.999,0.8556216160646974,0.8617641011582482,0.6993437735590432,0.7565022959358508,0.7933079466794599
EOS-3-47441,Cn1ccc(CCOc2cncc3nnc(-c4cncc(-c5cnn(C(F)F)c5)c4)n23)c1Cl,YGUDTMRQWSZJSM-UHFFFAOYSA-N,3,1,0.474,65,349,470.871,4.058,5,0.356,0.63,1.0,0.5558563498046741,0.6131947776026317,0.8338359262559112,0.7763432938112536,0.6948075868686177
EOS-3-47442,COc1cccc(CCOc2cncc3nnc(-c4cnc(Cl)c(-c5cnc(C)cn5)c4)n23)c1,WOEGVRXPMJTWRN-UHFFFAOYSA-N,3,1,0.585,87,552,473.924,4.235,5,0.324,0.66,1.0,0.7259440751147967,0.8135151805907751,0.5542115002398739,0.4550579124117607,0.6371821670893016
EOS-3-47443,Clc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)c1,LYCOIRVFMPWFIT-UHFFFAOYSA-N,3,1,0.39,32,20,451.877,5.224,6,0.362,0.67,0.998,0.25872112946336784,0.3683692001918991,0.6558666301144541,0.733183126584881,0.5040350215886505
EOS-3-47444,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)ncc2F)cn1,UHEMVKJYSNMAGW-UHFFFAOYSA-N,3,1,0.404,80,34,480.467,3.157,6,0.354,0.63,1.0,0.4138938386676719,0.4110410527037215,0.38538311287780136,0.31241861421424166,0.38068415461585914
EOS-3-47445,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6ccccn6)n5)n34)cn2)o1,SNWBBXIQSSLOOY-UHFFFAOYSA-N,3,1,0.495,28,218,481.451,3.72,6,0.347,0.69,0.999,0.57517476526626,0.5368292097868549,0.22353676924131313,0.20522925090809402,0.38519249880063045
EOS-3-47446,Cc1cc(CCOc2cncc3nnc(-c4cc(-c5cncnc5)n(C)n4)n23)ccn1,QMGCKYLWUOCIQV-UHFFFAOYSA-N,3,1,0.46,31,569,413.445,2.307,5,0.417,0.67,1.0,0.2316667808923309,0.0602511822356247,0.14742820917003632,0.10068706737029676,0.13500830991707216
EOS-3-47447,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nn2)nn1C,DXEXWKTVWGKJHO-UHFFFAOYSA-N,3,1,0.368,99,816,480.496,2.06,6,0.348,0.62,1.0,0.3219107669111096,0.18966314851620864,0.02647179768350353,0.013150229593585087,0.13779898567610172
EOS-3-47448,c1nsc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)s2)n1,PKOWRYLZQBEVSW-UHFFFAOYSA-N,3,1,0.314,38,126,429.49,4.693,6,0.401,0.59,1.0,0.1596789116578713,0.1896717154410253,0.28531286409430473,0.32453224590500995,0.23979893427455282
EOS-3-47449,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1,AXSNCQJQHSZXIS-UHFFFAOYSA-N,3,1,0.6,1,138,447.42,5.509,5,0.344,0.77,1.0,0.9791652388458639,0.9564457542320609,0.9715663765334795,0.9639589472962785,0.9677840792269208
EOS-3-47450,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5cnsn5)n4)n23)cc1,LEKDSDSERHLESY-UHFFFAOYSA-N,3,1,0.413,56,614,458.471,1.598,6,0.361,0.49,1.0,0.280121307655404,0.19416078404495923,0.01865876225070249,0.014666575286135288,0.12690185730930026
EOS-3-47451,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3cnc(OC(F)F)c(Cl)c3)n12,CDHCBGQKXDNLPT-UHFFFAOYSA-N,3,1,0.304,50,542,470.831,3.177,5,0.368,0.58,0.497,0.35800322116373107,0.5185216914536358,0.17605030498252347,0.2906928928791721,0.3358170276197656
EOS-3-47452,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)cn2)n[nH]1,LZVILBZVMHCZQU-UHFFFAOYSA-N,3,1,0.276,42,174,419.448,4.812,6,0.44,0.65,0.969,0.17605887190734015,0.1490045233363032,0.6085857720512645,0.6045850181618806,0.3845585463641971
EOS-3-47453,Cc1nc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)n4)n23)c1F,PRRFGYFMMCGVRD-UHFFFAOYSA-N,3,1,0.381,46,223,468.855,3.801,5,0.362,0.58,1.0,0.6379617572476184,0.5987423754369131,0.5801178808854773,0.5513844150503735,0.5920516071550956
EOS-3-47454,Cc1cc(CCOc2cncc3nnc(-c4cccc(-c5cnc(C)o5)c4)n23)ccn1,KRDXFKUJJIRYHX-UHFFFAOYSA-N,3,1,0.59,15,655,412.453,4.08,5,0.415,0.73,1.0,0.5612449455143582,0.3294924953738606,0.4544924953738606,0.32157665684325953,0.4167016482763347
EOS-3-47455,Clc1ccc(-c2nnc3cncc(Oc4nc(-c5nnc6ccccn56)ccc4Cl)n23)cc1,MVWOUONYIPDIGP-UHFFFAOYSA-N,3,1,0.451,34,417,475.299,4.995,6,0.354,0.73,1.0,0.7901703104653554,0.8674354053868824,0.5508275649372901,0.7118257830169282,0.7300647659516141
EOS-3-47456,CCc1nc(-c2nnc3cncc(OCc4scnc4C)n23)ccc1-c1ncc(C)s1,GHJATEIVKQZUPV-UHFFFAOYSA-N,3,1,0.429,31,690,449.565,4.525,5,0.376,0.59,0.956,0.2965869371530395,0.18544822150640805,0.0264803646083202,0.014675142210951956,0.13079766636967993
EOS-3-47457,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccnn5C)s4)n23)cn1,IUNFCOJJGCCYTE-UHFFFAOYSA-N,3,1,0.279,76,114,467.518,3.781,6,0.377,0.58,0.896,0.12679905421150023,0.08224247824001096,0.1506579398259201,0.11160989651154822,0.11782734219724487
EOS-3-47458,Cc1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc1-c1ccnc(F)c1,HGVGKKDPNTZHAN-UHFFFAOYSA-N,3,1,0.381,46,564,465.851,4.462,5,0.354,0.61,1.0,0.7958844493180728,0.7422469330409156,0.8518007675964636,0.8443732437804126,0.8085763484339661
EOS-3-47459,Fc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccc(F)nc5)c4)n23)nc1,BQEAXMASZORUIT-UHFFFAOYSA-N,3,1,0.409,46,915,418.367,2.896,5,0.402,0.51,1.0,0.7439346172297991,0.6132033445274484,0.6145997532725653,0.6109331094510314,0.6456677061202111
EOS-3-47460,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1cscn1,VLPOUJQFTUCTFK-UHFFFAOYSA-N,3,1,0.553,88,265,470.892,4.863,5,0.352,0.68,1.0,0.9535587005688438,0.9394318415461586,0.8748115276540334,0.892202385031869,0.9150011137002261
EOS-3-47461,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncnn5C)n34)n(C)n2)nc1Cl,JHIGYFOXVOBHEN-UHFFFAOYSA-N,3,1,0.365,31,105,437.855,1.651,5,0.403,0.5,1.0,0.21519258446987868,0.2793331505722706,0.012053663217051607,0.01028030978000137,0.12921492700980056
EOS-3-47462,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3cnn(-c4ccc(C(F)F)nn4)n3)n12,KEHRZYVZCRKSNJ-UHFFFAOYSA-N,3,1,0.303,98,63,477.37,2.956,6,0.364,0.57,0.654,0.06937495716537592,0.26395552052635185,0.417731820985539,0.42986258652594067,0.29523122130080187
EOS-3-47463,Cn1cnnc1-c1cc(F)c(-c2cncc3nnc(-c4cc(Cl)ccc4Cl)n23)c(Cl)c1,JSYLRRINHYIGCP-UHFFFAOYSA-N,3,1,0.37,45,252,474.714,5.353,5,0.352,0.78,1.0,0.26932698238640257,0.4910989651154821,0.913217051607155,0.9645157974093619,0.6595396991296003
EOS-3-47465,c1ncc(-c2cnc(-c3nnc4cncc(OCc5cc(-c6nncs6)ncn5)n34)cn2)nn1,MQZQTQJZSNKLQT-UHFFFAOYSA-N,3,1,0.343,99,828,469.454,1.321,6,0.342,0.57,0.998,0.30154718662189023,0.26912137619080256,0.02240250839558632,0.02005517099581934,0.15328156055102463
EOS-3-47466,c1cnc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6nccs6)n5)n34)nc2)cn1,KTJNNOQYCOAZDR-UHFFFAOYSA-N,3,1,0.413,80,147,466.49,3.136,6,0.361,0.56,1.0,0.36708416146939893,0.387225001713385,0.08515523267767802,0.07823315742581043,0.22942438832156806
EOS-3-47468,Cc1nc(-c2ncc(F)nn2)cc(-c2cncc3nnc(-c4ccc(-c5cnc(C)n5C)cc4)n23)n1,GWQSNBIABQBOEV-UHFFFAOYSA-N,3,1,0.333,98,882,479.483,3.257,6,0.374,0.56,0.993,0.21246830237817832,0.20815913919539442,0.1353745459529847,0.12091357686244945,0.1692288910972517
EOS-3-47469,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)nc(C)n1,VQVVANPFVCWLLN-UHFFFAOYSA-N,3,1,0.512,55,283,416.47,3.296,5,0.43,0.59,1.0,0.4344030566787746,0.3729953395928997,0.10976800767596463,0.07439517510794326,0.24789039476389554
EOS-3-47470,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)ccc2F)cn1,BLQCSJPURPNCLW-UHFFFAOYSA-N,3,1,0.54,37,545,463.904,4.484,5,0.354,0.62,1.0,0.6350233020355014,0.6611267219518882,0.7200671646905626,0.7304074429442807,0.6866561579055582
EOS-3-47471,Fc1cc(-c2cccnc2F)cc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)c1,URXXXXPQIZOGCW-UHFFFAOYSA-N,3,1,0.512,59,439,452.371,4.384,5,0.291,0.68,1.0,0.9054554177232541,0.8838153656363512,0.9653210883421287,0.959821122609828,0.9286032485778904
EOS-3-47472,CCc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cn4)n23)nc1,ZFPBKHSGRHZZQN-UHFFFAOYSA-N,3,1,0.396,51,62,411.429,2.575,5,0.415,0.64,1.0,0.3786495099719005,0.30000514015489,0.14743677609485298,0.1092197244876979,0.23382778767733534
EOS-3-47473,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cc2)o1,RHTKQXKKUGDMIS-UHFFFAOYSA-N,3,1,0.333,69,958,422.473,5.237,6,0.387,0.7,1.0,0.18773559043245835,0.2032931258995271,0.69935234048386,0.6922589267356589,0.4456599958878761
EOS-3-47474,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)nc1,MTNWPSWKPDEZTQ-UHFFFAOYSA-N,3,1,0.575,40,744,411.45,3.76,5,0.434,0.72,1.0,0.5354499348913714,0.6316907682818176,0.6415170310465356,0.5927712288396957,0.600357240764855
EOS-3-47475,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cccc(C)n5)n34)ccn2)ccn1,AGWSUIJYSBFFBT-UHFFFAOYSA-N,3,1,0.53,4,43,409.453,3.839,5,0.435,0.75,1.0,0.4161640737440888,0.2587725310122678,0.432561167843191,0.3062332944966075,0.3534327667740388
EOS-3-47476,O=C(c1ncc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)o1)C1CCCC1,HDUILRMEJZTBNJ-UHFFFAOYSA-N,3,1,0.5,78,345,407.861,4.396,5,0.456,0.88,1.0,0.3172503598108423,0.49110753204029883,0.011548214652868207,0.15572955931738744,0.2439089164553492
EOS-3-47477,FC(F)n1cc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5ccccc5)c4)n23)n1,MOCIKIYHTKRUKC-UHFFFAOYSA-N,3,1,0.478,87,884,467.867,4.72,5,0.344,0.69,1.0,0.5379600438626551,0.6561322047837708,0.7277516962511137,0.7643238982934686,0.671541960797752
EOS-3-47478,Fc1cc(-c2ccc(Cl)nn2)ncc1-c1cncc2nnc(-c3nccnc3-c3cccnc3)n12,MRGRSPXDAVISRM-UHFFFAOYSA-N,3,1,0.284,39,449,482.87,3.955,6,0.367,0.65,0.987,0.2990285107257899,0.3587057089986978,0.4035535604139538,0.5183332191076692,0.39490524981152764
EOS-3-47479,COc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cnn2)cn1,LBTWHAFSQIDIJZ-UHFFFAOYSA-N,3,1,0.411,7,535,448.834,2.069,5,0.377,0.45,1.0,0.4623912000548283,0.45996676033171136,0.14161983414433554,0.11161846343636488,0.29389906449181
EOS-3-47480,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)ncn1,IJUDEZBQNMMWEH-UHFFFAOYSA-N,3,1,0.488,75,658,411.429,2.363,5,0.415,0.65,1.0,0.5457559454458227,0.304956822698924,0.13247035844013433,0.0965235419093962,0.26992666712356933
EOS-3-47481,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnn5)cn4)n23)cc1F,CPZXZJZNFCXLNO-UHFFFAOYSA-N,3,1,0.363,85,357,485.458,2.958,6,0.364,0.64,1.0,0.22343396614351313,0.21301658556644507,0.2997824001096566,0.3856743883215681,0.28047683503529575
EOS-3-47482,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccoc4)n23)nc1F,YINFVABJJTTYOO-UHFFFAOYSA-N,3,1,0.456,18,773,420.379,3.741,5,0.387,0.6,1.0,0.7378435336851484,0.5185302583784525,0.6176410115824823,0.6140257693098485,0.622010143238983
EOS-3-47483,Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c2)cn1,ZZGWLSYWFBRBDX-UHFFFAOYSA-N,3,1,0.534,59,146,463.328,5.443,5,0.345,0.77,1.0,0.7986087314097732,0.9351312452881914,0.8592111575628812,0.8783925022274005,0.8678359091220615
EOS-3-47484,Clc1cc(-c2ccccc2)c(-c2nnc3cncc(-c4ccc(-c5ncon5)cc4)n23)cn1,GZEQMHQPFNHXFO-UHFFFAOYSA-N,3,1,0.365,69,553,451.877,5.224,6,0.339,0.71,1.0,0.30427146871359056,0.3730039065177164,0.7019052840792269,0.7740387910355698,0.538304862586526
EOS-3-47485,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5F)cc4)n23)nc1,MKDXUAMRZZRUIF-UHFFFAOYSA-N,3,1,0.364,93,74,465.467,5.199,6,0.358,0.7,1.0,0.19320128846549242,0.3730124734425331,0.8966743197861695,0.8949952025221026,0.5894708210540744
EOS-3-47486,C#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)c(F)c4)n23)c(F)n1,ZSFUTBLMYHASJQ-UHFFFAOYSA-N,3,1,0.473,36,610,445.393,2.215,5,0.299,0.59,1.0,0.680522239736824,0.6180436570488658,0.40356212733877045,0.3566667808923309,0.5146987012541977
EOS-3-47487,Cn1ncc(-c2ccccc2)c1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3Cl)n12,IGCURGLGQLNPDE-UHFFFAOYSA-N,3,1,0.305,30,774,453.893,5.167,6,0.366,0.67,0.987,0.09325954355424577,0.1941693509697759,0.6415255979713522,0.7331916935096977,0.4155365465012679
EOS-3-47488,COCc1cccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)nc4)n23)c1,QMQPIYJQTLXFTH-UHFFFAOYSA-N,3,1,0.337,14,740,409.453,3.381,5,0.425,0.73,1.0,0.19053697484750873,0.09799705297786307,0.4786255225824138,0.4140137756151052,0.2952933315057227
EOS-3-47489,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncc(C)cn1,JKCDLBGZWDXUNV-UHFFFAOYSA-N,3,1,0.446,49,896,474.912,3.63,5,0.326,0.63,1.0,0.7229884860530464,0.5793896922760606,0.21658042629017887,0.16894832430950585,0.42197673223219795
EOS-3-47490,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(F)c4)n23)ccc1Cl,UUGBKZAHLHOIPF-UHFFFAOYSA-N,3,1,0.712,59,13,455.877,5.425,5,0.354,0.76,1.0,0.9807158522376808,0.9610119251593447,0.9578935645260778,0.9620827907614283,0.965426033171133
EOS-3-47491,Cc1cnc(-c2cc(-c3cncc4nnc(-c5cnc(-c6ccccc6F)s5)n34)ncn2)nn1,DNELDERFULQYBS-UHFFFAOYSA-N,3,1,0.326,10,566,468.481,3.671,6,0.381,0.53,0.985,0.13516037283256802,0.31007127681447466,0.12653347954218352,0.19099102186279213,0.19068903776300458
EOS-3-47492,Cc1cncc(-c2nc(COCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cs2)n1,HPKCAWYWQUDBMZ-UHFFFAOYSA-N,3,1,0.38,85,290,466.477,4.063,5,0.354,0.59,0.997,0.3531714755671304,0.38723356863820163,0.3741261736686999,0.30283222534439036,0.3543408608046056
EOS-3-47493,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(F)s5)c(F)cn4)n23)c(F)c1,ZWQOGEXYSCCNPH-UHFFFAOYSA-N,3,1,0.523,34,10,459.388,3.84,5,0.369,0.59,1.0,0.7930573641285724,0.8556730176135974,0.7569306421766843,0.7880457131108217,0.798426684257419
EOS-3-47494,COc1cnc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cc5)n34)n2)c(F)c1,ZOBLBZQSQXMXJV-UHFFFAOYSA-N,3,1,0.333,8,635,484.43,3.178,6,0.363,0.67,1.0,0.14033479542183538,0.30496538962374065,0.3182098553903091,0.3094201905284079,0.26823255774107324
EOS-3-47495,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cc(F)nc(Cl)c5)ncc4F)n23)ccn1,IBPAPKWZGGFXGM-UHFFFAOYSA-N,3,1,0.478,59,577,465.851,4.462,5,0.354,0.6,1.0,0.885134672058118,0.7765917346309369,0.8636145569186485,0.8387533411006785,0.8410235761770954
EOS-3-47496,Fc1cnc(Cl)cc1CCOc1cncc2nnc(-c3ccnc(-c4cncs4)c3)n12,MVTGAVYTEBFUQK-UHFFFAOYSA-N,3,1,0.583,75,496,453.89,4.119,5,0.357,0.57,1.0,0.7409104927695155,0.7851672263724213,0.614608320197382,0.6314251936125008,0.693027808237955
EOS-3-47497,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c(Cl)cn1,STMRDGUJBDDYHF-UHFFFAOYSA-N,3,1,0.573,35,883,463.328,5.177,5,0.323,0.73,1.0,0.9535672674936605,0.9534644643958604,0.8561613323281475,0.8881416626687684,0.9128336817216092
EOS-3-47498,Cn1cncc1-c1nnc2cncc(OCc3cc(-c4ccc(C#N)nc4)cnn3)n12,WVGQDLYJTKVSJH-UHFFFAOYSA-N,3,1,0.385,92,587,410.401,1.827,5,0.425,0.66,1.0,0.212476869302995,0.1012353505585635,0.270166541018436,0.22531868960318005,0.20229936262079362
EOS-3-47499,Clc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)nc4)n23)c1,DLFWJYYFWZPUCJ-UHFFFAOYSA-N,3,1,0.408,96,46,419.275,5.222,5,0.375,0.78,0.999,0.29903707765060655,0.4960078130354328,0.8501559180316633,0.9246110616133233,0.6424529675827565
EOS-3-47500,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)c1,NTKSYVPOIRPHQJ-UHFFFAOYSA-N,3,1,0.458,65,658,415.392,2.194,5,0.411,0.54,1.0,0.6069494894112809,0.5942961414570626,0.2594493180727846,0.2788534027825372,0.4348870879309163
EOS-3-47501,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cccc(C)n1,ZVCJKWOHWJQTJI-UHFFFAOYSA-N,3,1,0.484,44,717,457.925,4.747,5,0.34,0.67,0.861,0.5252552943595367,0.5005225824138168,0.407314440408471,0.37308100884106643,0.4515433315057227
EOS-3-47502,Cc1ccc(-c2nnc3cncc(OCc4ncccc4-c4ccc(F)nc4)n23)cc1,HLQPNHVIYVJXTK-UHFFFAOYSA-N,3,1,0.529,1,744,412.428,4.275,5,0.401,0.75,1.0,0.8349410595572613,0.7934257418956892,0.7432406963196491,0.6922674936604757,0.7659687478582689
EOS-3-47503,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c(Cl)c2)s1,JKOKKQUVLOPWDB-UHFFFAOYSA-N,3,1,0.554,13,15,456.318,4.821,5,0.404,0.65,1.0,0.530429716948804,0.6514460969090535,0.6805565074360908,0.7811921732574875,0.6609061236378589
EOS-3-47504,CCc1cc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)cc(C(F)F)n1,IKILVLGLKMJITC-UHFFFAOYSA-N,3,1,0.371,66,455,416.382,4.61,4,0.43,0.64,0.014,0.33224247824001096,0.4381810705229251,0.9263672812007402,0.8480398876019464,0.6362076793914057
EOS-3-47505,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)n4)n23)ccn1,YLRIMDQKYNLVDT-UHFFFAOYSA-N,3,1,0.461,18,578,422.355,2.531,5,0.38,0.57,1.0,0.7291395380714139,0.5368377767116715,0.3588770474950312,0.35998218079638133,0.49620913576862447
EOS-3-47506,COc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCCc3cnc(Cl)cn3)n12,BZLLSERJPFRHEU-UHFFFAOYSA-N,3,1,0.453,20,710,478.875,3.461,5,0.324,0.68,0.983,0.7930659310533891,0.7280344047700638,0.3663645397847988,0.33751970392707836,0.5562461448838325
EOS-3-47507,Fc1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccc(Cl)nc1,LLAFVZFPOCYOJY-UHFFFAOYSA-N,3,1,0.561,97,232,468.279,4.668,5,0.346,0.64,1.0,0.8868823247207183,0.9627167431978617,0.7756493729011035,0.8463864711123296,0.8679087279830032
EOS-3-47508,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2F)cs1,IUADIAYSWVCOKY-UHFFFAOYSA-N,3,1,0.557,11,490,466.929,5.032,5,0.349,0.72,1.0,0.8556301829895141,0.8920224796107189,0.6588222191762045,0.6806935782331575,0.7717921150023987
EOS-3-47509,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)cc1-c1cccnn1,JFHHXSKPBUKQSO-UHFFFAOYSA-N,3,1,0.444,95,493,468.308,3.305,5,0.349,0.6,1.0,0.512250702487835,0.3587142759235145,0.28181755876910425,0.37621650332396683,0.3822497601261052
EOS-3-47510,O=C(O)c1ccc(-c2nnc3cncc(C(F)c4ccccc4F)n23)c(OCc2ccccn2)c1,QAAYZFYICBDXJK-UHFFFAOYSA-N,3,1,0.407,1,18,473.439,4.662,5,0.367,0.61,1.0,0.45332739359879376,0.35872284284833117,0.910458501816188,0.8168220135700089,0.6348326879583305
EOS-3-47511,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncn5C)n34)cnn2)nc1,ZDRQRVYRGYXXDI-UHFFFAOYSA-N,3,1,0.419,31,779,413.445,2.307,5,0.417,0.62,0.793,0.35551024604208076,0.14901309026111986,0.11832636556781578,0.08689431841546158,0.1774360050716195
EOS-3-47512,Cc1nc(-c2cn(C)cn2)ccc1-c1nnc2cncc(OCCc3cncnc3)n12,CJHQZUMDLTYHTB-UHFFFAOYSA-N,3,1,0.477,65,361,413.445,2.307,5,0.417,0.62,0.999,0.48966828867109863,0.34904221780549655,0.11237235282023166,0.07639983551504352,0.25687067370296757
EOS-3-47513,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c(F)c2)ns1,AAVWYSLAHDFZDM-UHFFFAOYSA-N,3,1,0.483,73,772,471.88,4.524,5,0.372,0.66,1.0,0.7930744979782057,0.7807895277911041,0.7019138510040436,0.7359245425262148,0.752925604824892
EOS-3-47514,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnc5)nn4)n23)cc1,GJXMBRHLMWXTFW-UHFFFAOYSA-N,3,1,0.373,93,641,461.916,5.631,6,0.338,0.79,1.0,0.2345881022548146,0.3918768418888356,0.8036460832019738,0.8664759098074155,0.5741467342882599
EOS-3-47515,Cc1cncc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)s2)c1,QMUBBNSRAHCYFG-UHFFFAOYSA-N,3,1,0.518,16,214,448.939,5.159,5,0.369,0.71,1.0,0.6265934480159002,0.7422554999657323,0.5772222602974436,0.5708656020834761,0.6292342025906381
EOS-3-47516,Fc1cc(-c2cnncn2)ccc1-c1nnc2cncc(OCCc3c(Cl)cncc3Cl)n12,NZVWHDVOXNVVFG-UHFFFAOYSA-N,3,1,0.56,37,559,483.294,4.106,5,0.356,0.7,1.0,0.9360307723939415,0.9408282502912755,0.7803097800013707,0.8407065999588788,0.8744688506613667
EOS-3-47517,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cc4F)n23)c(-c2ccccc2)c1,FMGRWXGCDKQEKR-UHFFFAOYSA-N,3,1,0.287,30,220,459.488,5.425,6,0.35,0.72,1.0,0.26410972517305187,0.31526283325337534,0.7355047632101981,0.7740473579603866,0.522231169899253
EOS-3-47518,Cc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,CQEDFNKRUNEISP-UHFFFAOYSA-N,3,1,0.506,75,583,410.441,2.968,5,0.421,0.7,1.0,0.5898413405523953,0.3587314097731478,0.14744534301966966,0.127501542046467,0.30587990884791993
EOS-3-47519,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5ncccn5)nc4)n23)cc1,WCMWLXXXEPIDRL-UHFFFAOYSA-N,3,1,0.478,89,943,489.499,2.242,6,0.357,0.79,1.0,0.4414879035021589,0.19417791789459254,0.1265420464670002,0.09070659995887877,0.2132286169556576
EOS-3-47520,Cc1noc(-c2ncc(Oc3cncc4nnc(-c5ccc(C(=O)NC6(C)CC6)cc5)n34)s2)n1,GAMKBSBIQZZLRC-UHFFFAOYSA-N,3,1,0.436,52,310,474.506,3.681,6,0.391,0.63,1.0,0.4510571585223768,0.28985333424713866,0.010879994517168118,0.010288876704818038,0.19051984099787542
EOS-3-47521,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cncs6)cnn5)n34)cc2)n1,CMGKWBWVFAZFEG-UHFFFAOYSA-N,3,1,0.461,56,415,480.517,3.444,6,0.349,0.67,1.0,0.39657151668836954,0.4156500582550888,0.1792115002398739,0.15061510520183674,0.28551204509629224
EOS-3-47522,O=C(c1cnc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1)C1CCOC1,BZDSAKSWCFNKDC-UHFFFAOYSA-N,3,1,0.424,78,5,421.848,2.44,5,0.357,0.6,1.0,0.17903159481872388,0.27934171749708725,0.032143101912137616,0.12751010897128368,0.1545066307998081
EOS-3-47523,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5cncc(Cl)c5)c4)n23)c(F)c1F,MRUYBXSATOIMDY-UHFFFAOYSA-N,3,1,0.494,2,884,468.826,4.898,5,0.341,0.73,1.0,0.8831300116510178,0.910227194846138,0.9751816188061133,0.977100609965047,0.9364098588170789
EOS-3-47524,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)nc2C)s1,JLPOFHZSFRERDX-UHFFFAOYSA-N,3,1,0.354,31,924,469.893,3.483,5,0.356,0.59,0.999,0.504720375573984,0.532160235761771,0.07811322047837709,0.1027259954766637,0.3044299568226989
EOS-3-47525,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)ccc2F)o1,WHMSNHDRORHOME-UHFFFAOYSA-N,3,1,0.473,6,247,483.467,3.663,6,0.349,0.72,1.0,0.5867658145432115,0.5051144541155507,0.3218250976629429,0.26100849838941814,0.41867846617778076
EOS-3-47526,CCc1cc(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)cc(-c2cnnn2C)c1C,RLLZYGQXUBNQHE-UHFFFAOYSA-N,3,1,0.373,14,740,443.942,4.702,5,0.393,0.59,0.997,0.2345966691796313,0.2898619011719553,0.5962322664656295,0.5956925502021794,0.4290958467548489
EOS-3-47527,Fc1ccccc1-c1cnnc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c1,OJYZPUMKKUDMDM-UHFFFAOYSA-N,3,1,0.5,19,207,465.851,4.196,5,0.347,0.58,1.0,0.7930830649030224,0.7892365156603386,0.8138407237338086,0.8600849838941813,0.8140613220478378
EOS-3-47528,Cc1cc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)cnc1C,PAUWCOUIZVYPAY-UHFFFAOYSA-N,3,1,0.389,51,435,411.429,2.629,5,0.43,0.65,1.0,0.4095075731615379,0.2793502844219039,0.14745390994448632,0.08870193955177849,0.23125342676992666
EOS-3-47529,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cc4)n23)c(Cl)c1,DBQDHZBYDDZQHP-UHFFFAOYSA-N,3,1,0.37,62,341,471.973,5.732,6,0.355,0.86,1.0,0.15719450346103764,0.27935885134672056,0.5994962648207799,0.7410818312658488,0.44428286272359674
EOS-3-47530,CCc1nc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1cnc(C)cn1,PQAUAKLWTUQGES-UHFFFAOYSA-N,3,1,0.402,7,690,476.903,4.281,5,0.357,0.64,0.991,0.5670618874648756,0.6132119114522651,0.4177403879103557,0.3981563977794531,0.4990426461517373
EOS-3-47531,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)nn1,CZIWGRFNCZENLO-UHFFFAOYSA-N,3,1,0.531,1,418,412.428,4.275,5,0.429,0.72,1.0,0.7199300938934959,0.8095486944006579,0.6588307861010212,0.6632341854567885,0.712885939962991
EOS-3-47532,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cccnc5Cl)c4)n23)cc1Cl,DLQGOJQRJGPKBO-UHFFFAOYSA-N,3,1,0.675,59,294,467.291,5.273,5,0.328,0.78,1.0,0.9535758344184772,0.9289373586457406,0.9370502364471249,0.9515711740113769,0.9427836508806798
EOS-3-47533,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5ccsc5)s4)n23)cn1,VTJJYHOUTHTBMA-UHFFFAOYSA-N,3,1,0.467,80,200,472.559,4.351,6,0.356,0.67,1.0,0.3393101912137619,0.31527140017819205,0.15066650675073676,0.1318107052292509,0.2342647008429854
EOS-3-47534,COc1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1ncnn1C,NVISPWZUTDZQFC-UHFFFAOYSA-N,3,1,0.58,49,308,480.891,3.404,5,0.349,0.65,0.557,0.6208364745390994,0.5277054348571036,0.3780069906106504,0.35667534781714755,0.4708060619560003
EOS-3-47535,Cc1ccc(-c2nnc3cncc(-c4cc(F)ccc4OCc4ccc(F)c(Cl)c4)n23)nc1,IYJXITOROATHNT-UHFFFAOYSA-N,3,1,0.402,45,13,463.875,5.672,5,0.336,0.83,0.999,0.5431516003015557,0.6411743540538688,0.9625454047015284,0.9614916729490782,0.7770907580015078
EOS-3-47536,COCc1ncc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4Cl)n23)cc1F,SRMYVAYCXBEMGJ-UHFFFAOYSA-N,3,1,0.333,45,46,464.863,4.993,5,0.364,0.64,0.967,0.5022016996778836,0.6268161880611336,0.8799431156192173,0.9050784730313207,0.7285098690973888
EOS-3-47537,Cc1ccc(-c2nnc3cncc(OCc4cc(CCc5cccc(Cl)c5F)ncn4)n23)nn1,XHMLBCBEYJNQAL-UHFFFAOYSA-N,3,1,0.396,53,677,476.903,3.836,5,0.349,0.61,0.74,0.5808546364197108,0.6180522239736824,0.4684137482009458,0.48269481187033103,0.5375038551161675
EOS-3-47538,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)ccn1,BAMLJLCVTLZKSA-UHFFFAOYSA-N,3,1,0.419,46,395,420.433,3.148,5,0.413,0.55,0.848,0.3922366527311356,0.27936741827153727,0.23462236995408128,0.21691453635802893,0.2807852443286958
EOS-3-47539,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(Cl)c5)n34)nc2)nc1,RMHOHWCNQIYQOY-UHFFFAOYSA-N,3,1,0.325,64,449,481.882,4.56,6,0.36,0.73,1.0,0.29383695428688916,0.39655438283873623,0.4718747858268796,0.6045935850866972,0.44171492700980053
EOS-3-47540,Cc1cc(-c2nnc3cncc(Cc4cnc(F)c(F)c4)n23)cc(-c2ccc(F)cc2F)n1,WALGZDNLSRABEP-UHFFFAOYSA-N,3,1,0.333,45,358,450.399,4.704,5,0.293,0.74,1.0,0.42563909259132343,0.5741724350627099,0.9492495373860599,0.9489239942430265,0.72449626482078
EOS-3-47541,COc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3nncc(-c4ccccc4)n3)n12,DHNTTZGZZKVPMV-UHFFFAOYSA-N,3,1,0.378,93,220,457.497,4.986,6,0.36,0.62,1.0,0.21248543622781166,0.10124391748338017,0.5271657185936536,0.5612363785895415,0.35053286272359674
EOS-3-47542,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cnn1,GWLRFJWBHNDNLX-UHFFFAOYSA-N,3,1,0.473,65,65,417.408,2.137,5,0.387,0.57,1.0,0.5509646357343568,0.477794530875197,0.21326502638612843,0.19625111370022616,0.3595688266739771
EOS-3-47543,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4nncc(-c5ccc(F)cc5)n4)n23)cc1,FEFAEUQRZITELM-UHFFFAOYSA-N,3,1,0.495,43,637,488.458,3.061,5,0.354,0.75,1.0,0.5641834007264752,0.3152799671030087,0.3290898499074772,0.29972243163594,0.37706891234322526
EOS-3-47544,Fc1cccc(-c2nccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)c1,CTBLIKZUFHRUET-UHFFFAOYSA-N,3,1,0.41,69,479,451.49,5.178,6,0.367,0.63,1.0,0.20147693783839354,0.3872421355630183,0.6616750051401549,0.697827427866493,0.4870553766020149
EOS-3-47545,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cncc(-c4cncc(Cl)c4)c3)n12,GLGNVOGIOQYYHW-UHFFFAOYSA-N,3,1,0.458,13,995,453.264,5.487,5,0.358,0.73,1.0,0.7586097594407512,0.8135237475155918,0.9468936330614762,0.9670259063806456,0.8715132615996162
EOS-3-47546,Cc1ncccc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,UINBUYUGOAUUIR-UHFFFAOYSA-N,3,1,0.667,57,11,445.885,5.533,5,0.355,0.74,1.0,0.9292886025632239,0.8891611267219519,0.9384637790418752,0.9309934206017408,0.921976732232198
EOS-3-47547,FC(F)c1ccc(-c2nnc3cncc(-c4nncc(-c5cccc(C(F)F)c5)n4)n23)cc1,ABPIPJODWQCGNO-UHFFFAOYSA-N,3,1,0.338,61,121,451.387,5.186,5,0.342,0.69,0.999,0.3509012404907135,0.5138869851278185,0.9691505037351792,0.9650469467479953,0.6997464190254266
EOS-3-47548,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)nc5)nc4)n23)cc1,HKKDJXUJRDVHCZ-UHFFFAOYSA-N,3,1,0.662,27,996,481.85,4.477,5,0.314,0.8,1.0,0.9739222808580632,0.9564543211568776,0.8772531012267837,0.8499160441367967,0.9143864368446304
EOS-3-47549,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)nc5)ncn4)n23)cn1,ZSTBQQIDXLRSSS-UHFFFAOYSA-N,3,1,0.435,55,434,452.265,3.319,5,0.292,0.61,1.0,0.5956497155780961,0.7851757932972381,0.47863408950723046,0.5151206223014186,0.5936450551709958
EOS-3-47550,Cn1cnc(-c2cc(F)ccc2Cl)c1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,MHPRQYKATVDBPN-UHFFFAOYSA-N,3,1,0.443,45,730,439.281,5.305,5,0.383,0.71,0.912,0.32710232335001027,0.569323555616476,0.8966828867109862,0.9540470152833939,0.6867889452402166
EOS-3-47551,COc1cc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)ncc4Cl)n23)ccc1Cl,SFSQRNHQUOCTHP-UHFFFAOYSA-N,3,1,0.484,16,134,483.319,3.876,5,0.359,0.71,1.0,0.528005277225687,0.6514546638338702,0.6235607566307998,0.6140343362346652,0.6042637584812556
EOS-3-47552,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2F)cc1=O,FYESGFAAVYTQHG-UHFFFAOYSA-N,3,1,0.658,59,96,480.862,4.063,5,0.377,0.64,1.0,0.9265728873963403,0.8427540949900624,0.9086080460557878,0.9071859365362209,0.8962802412446029
EOS-3-47553,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cc(C)n(C)n5)c4)n23)cc1,SBCWMPPBVODDOX-UHFFFAOYSA-N,3,1,0.543,43,230,410.481,4.388,5,0.43,0.83,1.0,0.5172537865807689,0.3250119936947433,0.580126447810294,0.45506647933657735,0.46936467685559585
EOS-3-47554,COc1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,ZRCGHQYLHOVSDI-UHFFFAOYSA-N,3,1,0.356,63,108,403.402,2.274,5,0.521,0.87,1.0,0.3417603317113289,0.12385203207456652,0.061373449386608186,0.04400829278322253,0.14274852648893152
EOS-3-47555,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c2)s1,CDDQJGHQCPTROB-UHFFFAOYSA-N,3,1,0.457,80,843,482.533,3.388,6,0.351,0.71,1.0,0.35090980741553013,0.20330169282434377,0.09669488040572956,0.07046295661709273,0.18034233431567404
EOS-3-47556,COc1nnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5F)n34)ccn2)s1,VQDZRIVBGMFDKL-UHFFFAOYSA-N,3,1,0.5,59,577,471.424,3.71,5,0.346,0.62,0.843,0.6743026523199233,0.6706788431224727,0.6176495785072991,0.5770851895003769,0.634929065862518
EOS-3-47557,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)ccn1,GUUYHRGSJHVOIE-UHFFFAOYSA-N,3,1,0.561,35,215,413.416,3.404,5,0.394,0.64,1.0,0.814603180042492,0.8095572613254746,0.6721609211157563,0.6373706394352683,0.7334230004797477
EOS-3-47558,CC#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ccnnc5)c(CC)n4)n23)cn1,SQYYSZVPBNGBBT-UHFFFAOYSA-N,3,1,0.369,92,717,466.48,3.69,5,0.349,0.57,0.997,0.5483688575149065,0.5005311493386334,0.5171681173326023,0.40401617435405385,0.492521074635049
EOS-3-47559,Fc1cnnc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)c1,ARPCWTYAFGIVKY-UHFFFAOYSA-N,3,1,0.57,19,308,465.851,4.196,5,0.371,0.52,1.0,0.8252175998903434,0.7466331985470496,0.8419488040572956,0.8649509971900486,0.8196876499211844
EOS-3-47560,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)n1,YMJACSQQPYMYLE-UHFFFAOYSA-N,3,1,0.261,39,972,478.907,4.124,6,0.368,0.62,0.563,0.17336029059008978,0.22337399766979646,0.33645740524981155,0.42042183537797273,0.28840338222191764
EOS-3-47561,Cc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3sncc3-n3cccc3)n12,GZRBFPRHHGGZBR-UHFFFAOYSA-N,3,1,0.426,40,247,468.546,4.326,6,0.362,0.62,1.0,0.28274278664930436,0.22338256459461311,0.27420156260708656,0.22868549105613048,0.2522531012267836
EOS-3-47562,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1-c1cncc(F)c1,XZNRYCNVPQUEPS-UHFFFAOYSA-N,3,1,0.632,84,360,478.434,4.296,5,0.345,0.7,1.0,0.9226749366047563,0.8920310465355356,0.891893975738469,0.8443818107052292,0.8877454423959976
EOS-3-47563,Cc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)c(F)c5)c4)n23)ccc1F,HCMOHADSLBMMJY-UHFFFAOYSA-N,3,1,0.609,88,222,461.447,5.201,5,0.348,0.74,1.0,0.9292971694880405,0.9334863957233911,0.9666575286135289,0.9591529024741279,0.9471484990747722
EOS-3-47564,Cc1n[nH]c(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)n1,GQBHEAODYKUNRN-UHFFFAOYSA-N,3,1,0.411,92,185,420.824,2.302,5,0.425,0.53,1.0,0.43925193612500857,0.6034456171612638,0.15368206428620382,0.17443972311698994,0.3427048351723665
EOS-3-47565,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)nc1F,AERWMPCVHCSNOV-UHFFFAOYSA-N,3,1,0.404,31,773,462.464,3.673,5,0.341,0.57,1.0,0.5146665752861352,0.38265026386128437,0.45450106229867726,0.369688506613666,0.4303766020149407
EOS-3-47566,CCn1nc(C)nc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)n(C)n1,PUTRLIWKPLZAKG-UHFFFAOYSA-N,3,1,0.354,67,622,478.52,3.966,6,0.353,0.7,1.0,0.1987954903707765,0.2284456171612638,0.0432201357000891,0.04162668768418888,0.12802198272907958
EOS-3-47567,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)nc(C)n1,OGOWNGHTLMJYGO-UHFFFAOYSA-N,3,1,0.374,31,330,452.931,4.067,5,0.383,0.55,1.0,0.3555188129668974,0.3490507847303132,0.15667192104722089,0.16117812350078817,0.2556049105613049
EOS-3-47568,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCc3ccc(C(F)F)nn3)n12,ZTRBXEWBQDSSNO-UHFFFAOYSA-N,3,1,0.5,4,534,455.425,4.361,5,0.376,0.61,1.0,0.7044239599753273,0.7892450825851552,0.8077239394147077,0.7539236515660338,0.763829158385306
EOS-3-47569,Clc1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cccs5)n34)nn2)nn1,PHRUVGQAZSMRGA-UHFFFAOYSA-N,3,1,0.248,39,312,459.886,3.001,6,0.391,0.47,0.647,0.002869919813583716,0.10795181961483107,0.0464927009800562,0.11858337331231582,0.0689744534301967
EOS-3-47570,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccnc4-c4cccnc4F)n23)cc1,UWEFQBWTBMHRQV-UHFFFAOYSA-N,3,1,0.478,40,2,479.479,3.762,6,0.332,0.66,1.0,0.6437358645740525,0.4864813926392982,0.4361935439654582,0.38910972517305187,0.48888013158796517
EOS-3-47571,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)cnn2)c1,BUACODPPFDEDEJ-UHFFFAOYSA-N,3,1,0.454,87,778,454.878,3.514,5,0.384,0.51,1.0,0.6409002124597355,0.6611352888767048,0.3106709615516414,0.42671852511822356,0.5098562470015764
EOS-3-47572,Fc1cc(F)nc(-c2cnncc2-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)c1,GJPCKNSGDUKWDB-UHFFFAOYSA-N,3,1,0.293,50,315,438.348,3.921,5,0.31,0.62,1.0,0.3322510451648276,0.4511685285449935,0.9238057706805565,0.920464670002056,0.6569225035981083
EOS-3-47573,FC(F)Cn1cc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,RJTYIGXNAXWZBC-UHFFFAOYSA-N,3,1,0.391,66,225,408.334,3.863,4,0.471,0.78,1.0,0.2938455212117059,0.3442875745322459,0.9889486669864985,0.9754900280995134,0.6506429477074909
EOS-3-47574,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)nc2C(F)F)cn1,PASOZJZQGLDSNF-UHFFFAOYSA-N,3,1,0.423,18,773,466.427,3.68,5,0.361,0.55,0.991,0.5641919676512919,0.5277140017819204,0.7329603865396477,0.6403090946473854,0.6162938626550614
EOS-3-47575,Fc1cccnc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)cc(Cl)n1,CUUQXKXHSMJHMO-UHFFFAOYSA-N,3,1,0.5,24,486,469.267,4.063,5,0.281,0.71,0.998,0.6894746761702419,0.7508481255568501,0.6529453087519704,0.72501028030978,0.7045695976972106
EOS-3-47576,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cc(-c5ccccn5)no4)n23)nc1,GKQUFXBFSRPFJV-UHFFFAOYSA-N,3,1,0.359,32,20,451.877,5.224,6,0.362,0.69,1.0,0.1378246864505517,0.30497395654855736,0.6350147351106846,0.7359331094510314,0.4534366218902063
EOS-3-47577,Cc1nc(-c2ccc(-c3cncc4nnc(-c5sc(C)nc5-c5ccc(F)cn5)n34)nc2)no1,MDCXSGGIKFIFSX-UHFFFAOYSA-N,3,1,0.297,86,968,471.481,4.178,6,0.373,0.59,1.0,0.282751353574121,0.4061836063326708,0.08247378521006099,0.10922829141251457,0.22015925913234183
EOS-3-47578,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)cn1,IIGYMFYNXAYUBC-UHFFFAOYSA-N,3,1,0.495,11,111,464.863,4.801,5,0.336,0.64,1.0,0.8647368240696319,0.9081711328901377,0.9000582550887534,0.9095504077856212,0.895629154958536
EOS-3-47579,COc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3ccc(-c4ocnc4C)nc3)n12,PURCDCGZPMCYJK-UHFFFAOYSA-N,3,1,0.5,89,430,464.432,4.675,5,0.342,0.64,0.999,0.6805308066616408,0.5005397162634501,0.8138492906586252,0.6254711808649167,0.6550977486121582
EOS-3-47581,Cn1ccc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c2)n1,FTFJBXWCSFZJDI-UHFFFAOYSA-N,3,1,0.523,34,146,469.307,5.217,5,0.353,0.75,1.0,0.7259526420396134,0.9036906312110204,0.935165512987458,0.9467651291892263,0.8778934788568296
EOS-3-47582,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cc1,SIEOHAAJTYXDPH-UHFFFAOYSA-N,3,1,0.821,91,883,432.936,5.795,5,0.34,0.84,1.0,0.9616030429716949,0.9673942841477623,0.8786238091974505,0.9003152628332534,0.9269840997875403
EOS-3-47583,Fc1cc(COc2cncc3nnc(-c4cnc(-c5ccccc5)cn4)n23)ccc1-c1ncccn1,ONKBVABROAVCGZ-UHFFFAOYSA-N,3,1,0.489,28,177,476.475,4.423,6,0.348,0.66,1.0,0.8399441436501953,0.70025186758961,0.5801350147351106,0.5805976286752107,0.6752321636625317
EOS-3-47584,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnn(C6CCC6)c5)n34)nn2)n1C,YNZZPCLBGXSGLS-UHFFFAOYSA-N,3,1,0.229,50,974,412.461,2.879,6,0.447,0.64,0.795,0.029024741278870538,0.015060653827702008,0.005645603454184086,0.014049756699335206,0.015945188815022958
EOS-3-47585,CCn1c(-c2cc(C)n(C)n2)nnc1-c1cncc2nnc(-c3cc(-c4ncccn4)ccc3F)n12,WBRQNSFMNZHORY-UHFFFAOYSA-N,3,1,0.303,8,754,481.499,3.375,6,0.368,0.62,0.943,0.1572030703858543,0.2846018093345213,0.04027311356315537,0.06066239462682475,0.13568509697758893
EOS-3-47586,Fc1cnc(-c2ncncc2-c2nnc3cncc(-c4ccc(F)cc4F)n23)nc1,OJXIYMBVEZWFEI-UHFFFAOYSA-N,3,1,0.342,73,575,406.331,3.123,5,0.454,0.79,0.999,0.40292817490233707,0.5232335001028031,0.6529538756767871,0.7539322184908506,0.5832619422931945
EOS-3-47587,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)s4)n23)c(F)n1,XYECQXNPKMBOAO-UHFFFAOYSA-N,3,1,0.449,26,24,470.921,3.94,5,0.332,0.63,0.989,0.519832430950586,0.5138955520526352,0.1631656500582551,0.2052378178329107,0.3505328627235967
EOS-3-47588,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cc4Cl)n23)cn1,QTFHFTNJATYTBT-UHFFFAOYSA-N,3,1,0.279,86,459,478.907,4.124,6,0.368,0.61,1.0,0.2801298745802207,0.3100798437392913,0.2962613940100062,0.3534713179357138,0.309985607566308
EOS-3-47589,Clc1ccccc1-c1ncsc1-c1cncc2nnc(-c3ccc(-c4cccnn4)nc3)n12,VMSSZLWRQBSSNI-UHFFFAOYSA-N,3,1,0.35,32,20,468.933,5.087,6,0.355,0.72,0.997,0.1653673497361387,0.32502056061956003,0.4507401823041601,0.5866116098965115,0.3819349256390926
EOS-3-47590,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)ncn1,XDFASHSYVGKHAZ-UHFFFAOYSA-N,3,1,0.512,65,981,410.441,2.968,5,0.421,0.69,1.0,0.7320865602083476,0.5185388253032691,0.2666541018436022,0.2021537248989103,0.4298583030635323
EOS-3-47591,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(C#N)c5)o4)n23)cn1,AWMGHGWRBZAENW-UHFFFAOYSA-N,3,1,0.535,89,214,409.409,3.6,5,0.432,0.77,1.0,0.6805393735864574,0.6132204783770817,0.5604567884312247,0.47070968405181274,0.5812315811116442
EOS-3-47592,Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3cnc(Cl)c(F)c3)n12,PVPCONDJDBSETN-UHFFFAOYSA-N,3,1,0.466,97,89,452.902,4.99,5,0.349,0.74,1.0,0.7677506682201357,0.742264066890549,0.7616767185251182,0.7359416763758482,0.7519082825029128
EOS-3-47593,c1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc(-c2cncnc2)c1,QNHJFLMYKXEPMR-UHFFFAOYSA-N,3,1,0.512,41,190,463.526,4.951,6,0.345,0.69,1.0,0.6095881022548146,0.5185473922280858,0.6884637790418752,0.640317661572202,0.6142292337742443
EOS-3-47594,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5c(C)noc5C)s4)n23)cn1,QOASIZFCTDGNMI-UHFFFAOYSA-N,3,1,0.488,4,205,418.482,4.407,5,0.417,0.71,1.0,0.3647196902199986,0.32048009046672604,0.19566856281269276,0.12092214378726612,0.2504476218216709
EOS-3-47595,COc1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1ncccc1F,GPEHCHFUFHWRIB-UHFFFAOYSA-N,3,1,0.421,59,703,480.862,4.768,5,0.346,0.75,0.992,0.8491364539784799,0.7892536495099719,0.8338444931807278,0.8187581385785758,0.8227481838119388
EOS-3-47596,COCc1cc(F)cc(-c2ccc(-c3nnc4cncc(Oc5ccc(OC)cc5F)n34)cn2)n1,GRKQOYLNAIYJIS-UHFFFAOYSA-N,3,1,0.442,13,374,476.443,4.474,5,0.339,0.69,1.0,0.784661777808238,0.7422726338153657,0.8120588033719416,0.6892690699746419,0.7570655712425468
EOS-3-47597,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4-c4ccccc4)n23)ccc1Cl,NCSZAIAGGAPWTE-UHFFFAOYSA-N,3,1,0.517,1,709,461.884,5.233,5,0.344,0.72,1.0,0.9782143101912137,0.9554948255774107,0.884877664313618,0.8698598451099994,0.9221116612980604
EOS-3-47598,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(Cl)c1,MIKXNOGJAGXZTA-UHFFFAOYSA-N,3,1,0.297,52,523,484.951,4.282,6,0.386,0.73,0.894,0.15721163731067095,0.19885545884449318,0.245125419779316,0.337528270851895,0.2346801966965938
EOS-3-47599,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4cc(C)n(C)n4)s3)n12,FFRYPYNRKRCYMG-UHFFFAOYSA-N,3,1,0.312,52,423,485.573,4.13,6,0.388,0.77,0.974,0.15165170310465356,0.09493866081831266,0.09939346172297991,0.07440374203275991,0.10509689191967651
EOS-3-47600,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cc(F)c(F)cn5)n34)nc2)cn1,JZDQVBGEZOHTCA-UHFFFAOYSA-N,3,1,0.337,32,72,479.454,4.354,6,0.367,0.63,0.811,0.2641182920978685,0.36334898224933176,0.5995048317455967,0.5927797957645123,0.45493797546432735
EOS-3-47601,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ncnn5C)c(C)c4)n23)n1,MSOMEOOWDMALFT-UHFFFAOYSA-N,3,1,0.462,36,677,413.445,2.573,5,0.432,0.59,1.0,0.2744585703515866,0.17705263518607361,0.11238091974504832,0.062067370296758274,0.15648987389486668
EOS-3-47602,COc1nc(-c2cnc(C)o2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NCCC#N)nc3)n12,RSHIDYYHBRBYPO-UHFFFAOYSA-N,3,1,0.301,82,204,481.476,2.864,5,0.343,0.68,1.0,0.24536529367418272,0.10431087656774723,0.09224864642587896,0.03780583921595504,0.11993266397094099
EOS-3-47603,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C)nc4CCc4ccc(F)cn4)n23)nc1,DKKDPHVGFCTDOB-UHFFFAOYSA-N,3,1,0.346,33,647,483.511,2.554,5,0.375,0.6,0.253,0.15968747858268795,0.13060276883010075,0.090055513672812,0.06067096155164142,0.11025418065931053
EOS-3-47604,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cn2)cc1,JNTFTJJZGDMMBU-UHFFFAOYSA-N,3,1,0.397,69,695,416.444,5.175,6,0.394,0.76,1.0,0.15969604550750463,0.1306113357549174,0.7224744705640463,0.7332002604345145,0.4364955280652457
EOS-3-47605,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cc5)n34)cc2)nc1,SYGGHOFNQMADPV-UHFFFAOYSA-N,3,1,0.383,69,695,416.444,5.175,6,0.394,0.76,1.0,0.14893598793776985,0.1377732849016517,0.7432492632444657,0.7434977040641492,0.4433640600370091
EOS-3-47606,COc1ncc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cc1-c1cccnc1,XFXOEIQAISGBJL-UHFFFAOYSA-N,3,1,0.427,65,657,478.875,3.461,5,0.324,0.68,1.0,0.7229970529778631,0.7508566924816668,0.3476972106092797,0.33110307723939414,0.5381635083270508
EOS-3-47607,Cc1ncc(CCOc2cncc3nnc(-c4cc(-c5ccc(C(F)(F)F)n5C)ccn4)n23)cn1,RLMZWONGHDJWQR-UHFFFAOYSA-N,3,1,0.421,18,840,480.454,3.931,5,0.363,0.65,1.0,0.5072390514700843,0.4016345692550202,0.8450243300664794,0.6632427523816051,0.6042851757932972
EOS-3-47608,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)nn5)c4)n23)n(C)n1,LUTXZXRRHYGREL-UHFFFAOYSA-N,3,1,0.449,92,662,414.433,1.968,5,0.425,0.59,1.0,0.21803680350901242,0.12741587279830033,0.0447364813926393,0.02154581591391954,0.10293374340346789
EOS-3-47609,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)nn1C,VITKWQOVOYKVAX-UHFFFAOYSA-N,3,1,0.383,31,694,423.387,2.178,5,0.399,0.51,1.0,0.32191933383592625,0.22845418408608045,0.2818261256939209,0.26398122130080187,0.2740452162291824
EOS-3-47610,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(C)nc5Cl)n34)cc(C)n2)ncn1,ZRQZUQQPIROQOG-UHFFFAOYSA-N,3,1,0.495,58,661,472.94,4.238,5,0.338,0.67,1.0,0.7559454458227675,0.6411829209786855,0.35144095675416354,0.28482454937975465,0.5083484682338427
EOS-3-47611,Clc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)s2)n1,XSBZDTRRIDXUAR-UHFFFAOYSA-N,3,1,0.329,38,608,468.933,5.087,6,0.332,0.72,1.0,0.23460523610444795,0.4016431361798369,0.47188335275169624,0.504977383318484,0.40327727708861627
EOS-3-47612,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C#Cc6ccccc6)nc5)n34)nc2)cs1,MXUSFMDTSHKPKH-UHFFFAOYSA-N,3,1,0.368,30,93,471.549,5.08,6,0.335,0.77,1.0,0.06732746213419231,0.19418648481940923,0.6205966006442327,0.5770937564251936,0.36480107600575695
EOS-3-47613,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncccn6)o5)n34)cc2)cs1,LOIRVDDONOFPSV-UHFFFAOYSA-N,3,1,0.547,40,2,468.502,4.247,6,0.353,0.63,1.0,0.5534833116304572,0.459975327256528,0.16628401069152218,0.1295233363032006,0.327316496470427
EOS-3-47614,COc1cnc(F)cc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1,NYWGDRBIBUOSNY-UHFFFAOYSA-N,3,1,0.31,32,957,476.475,4.52,6,0.335,0.7,1.0,0.43015386196970734,0.4644986635597286,0.7045181961483106,0.6343465149749846,0.5583793091631828
EOS-3-47615,c1ccc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6ccns6)s5)n34)nc2)nc1,CCBJGZULRTWRJR-UHFFFAOYSA-N,3,1,0.471,6,280,471.531,3.802,6,0.357,0.61,1.0,0.2587296963881845,0.2742272633815366,0.04812041669522308,0.0652542663285587,0.1615829106983757
EOS-3-47616,Cn1cnnc1-c1ccc(F)c(-c2nnc3cncc(OCc4cnnc(-c5cncnc5)n4)n23)c1,BJDVEWFASMFOOU-UHFFFAOYSA-N,3,1,0.412,71,765,482.443,1.947,6,0.343,0.63,1.0,0.48715817969981495,0.5461071893633062,0.12956617092728395,0.14079740936193544,0.32590723733808513
EOS-3-47617,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ccnc(C)n4)n23)c1,PWTPSVPESXKPSZ-UHFFFAOYSA-N,3,1,0.402,7,905,413.445,2.747,5,0.418,0.61,0.998,0.25581694195051746,0.12386059899938318,0.1506750736755534,0.08690288534027825,0.15431387499143306
EOS-3-47618,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,XPZNMRUOXOVXMY-UHFFFAOYSA-N,3,1,0.517,59,607,454.387,4.327,5,0.292,0.68,1.0,0.764700842985402,0.6611438558015215,0.9730227537523131,0.962810979370845,0.8404196079775204
EOS-3-47619,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(C)n5)n34)c2)cn1,YNERIKRIIIGFRK-UHFFFAOYSA-N,3,1,0.506,4,506,409.453,3.839,5,0.435,0.74,1.0,0.36472825714481527,0.2691299431156192,0.38906689054896854,0.27886196970735383,0.3254467651291892
EOS-3-47620,Fc1cc(-c2nnc3cncc(OCc4sc(Cl)cc4Cl)n23)ccc1-c1cncnn1,XRPUMQLITATZFF-UHFFFAOYSA-N,3,1,0.472,73,526,474.308,4.73,5,0.364,0.72,1.0,0.8225789870468097,0.8393016242889453,0.7929716948804058,0.8565725447193475,0.8278562127338771
EOS-3-47621,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)n1,UORIKNVYRAOFQC-UHFFFAOYSA-N,3,1,0.474,2,76,447.861,4.057,5,0.362,0.53,1.0,0.8444760468782126,0.8556815845384141,0.7019224179288602,0.7384260845726818,0.7851265334795422
EOS-3-47622,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)s2)c1,DPWFTWYDNZOFBF-UHFFFAOYSA-N,3,1,0.318,76,368,439.529,5.1,6,0.38,0.64,1.0,0.09100644232746213,0.19419505174422588,0.36637310670961554,0.40125762456308683,0.2632080563360976
EOS-3-47623,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c(Cl)n2)n1,DVRHWAPAODWBJT-UHFFFAOYSA-N,3,1,0.474,36,258,480.851,1.847,5,0.359,0.61,1.0,0.5808632033445275,0.4201905284079227,0.17922006716469055,0.19625968062504284,0.3441333698855459
EOS-3-47624,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)ccc2F)nc1,DMQCMZIUCORFSX-UHFFFAOYSA-N,3,1,0.523,59,89,468.826,4.898,5,0.341,0.68,1.0,0.9634706325817285,0.9564628880816942,0.9614231375505449,0.9645243643341787,0.9614702556370366
EOS-3-47625,CN(C)c1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)n1C,JKJNLVSFVDALRM-UHFFFAOYSA-N,3,1,0.463,27,185,478.467,2.959,5,0.348,0.67,1.0,0.2881913508327051,0.28461037625933794,0.10458501816188061,0.054691248029607294,0.18301949832088274
EOS-3-47626,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)nc4C)n23)nn1,ZGUKGWCMFBFXIL-UHFFFAOYSA-N,3,1,0.429,36,587,414.433,1.968,5,0.425,0.58,0.997,0.1679802618052224,0.12742443972311698,0.03891097251730519,0.020783359605236106,0.08877475841272017
EOS-3-47627,Fc1ccc(F)c(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)nc2F)c1,NIQMZLFZXOJMRY-UHFFFAOYSA-N,3,1,0.307,30,668,469.43,5.123,6,0.335,0.71,0.2,0.025358097457336713,0.2233911315194298,0.9076399835515043,0.9256904941402234,0.5205199266671235
EOS-3-47628,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccc(C)nc1,DWCUANFXOWXFMP-UHFFFAOYSA-N,3,1,0.45,49,690,471.952,4.789,5,0.337,0.68,1.0,0.629232060859434,0.6462802412446028,0.43620211089027483,0.4107412103351381,0.5306139058323625
EOS-3-47629,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)c(F)cn1,UFOYTPUNDRRYFI-UHFFFAOYSA-N,3,1,0.488,97,700,416.391,4.106,5,0.402,0.64,1.0,0.9117349736138716,0.7593979165238846,0.8532057432663971,0.842608457268179,0.8417367726680831
EOS-3-47630,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc(Cl)n2)cn1,BUZKBCALIDZXEU-UHFFFAOYSA-N,3,1,0.458,58,602,480.319,3.67,5,0.336,0.64,0.988,0.5585377972722911,0.6950774450003426,0.2629103556987184,0.3342899732711946,0.46270389281063673
EOS-3-47631,N#Cc1cccc(-c2cc(F)cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)n1,IDGFQWGZMJVVGW-UHFFFAOYSA-N,3,1,0.463,59,439,475.846,4.631,5,0.365,0.65,1.0,0.9039733397299705,0.8759423617298334,0.9432783907888425,0.9444177917894593,0.9169029710095264
EOS-3-47632,COc1nc(-c2ccc(C)nn2)ccc1-c1nnc2cncc(OCc3ccc(F)c(F)c3F)n12,QEEXPJGGRMTVAZ-UHFFFAOYSA-N,3,1,0.467,59,483,479.422,3.957,5,0.338,0.66,0.749,0.7846703447330546,0.7682132821602358,0.7549174148447674,0.6489359879377699,0.7391842574189569
EOS-3-47633,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c(F)c2)ccn1,XLEJQNIBOOSMBB-UHFFFAOYSA-N,3,1,0.494,4,71,451.824,4.154,5,0.293,0.7,1.0,0.7291481049962305,0.8891696936467686,0.8772616681516003,0.8855544513741347,0.8452834795421835
EOS-3-47634,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)nc1,UJDISLZMAXICEY-UHFFFAOYSA-N,3,1,0.364,27,412,437.385,4.456,5,0.378,0.56,1.0,0.6864162840106915,0.7235624700157631,0.87482009457885,0.7857155095606881,0.7676285895414982
EOS-3-47635,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)nc4F)n23)nn1,AFNMCWPHRKMCED-UHFFFAOYSA-N,3,1,0.355,30,622,465.452,3.975,6,0.352,0.58,0.991,0.522668083064903,0.5093722157494346,0.3144575423206086,0.3154941402234254,0.4154979953395929
EOS-3-47636,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnccc5-c5ccccc5)n34)c(F)c2)n(C)n1,CXELHIILODIVIC-UHFFFAOYSA-N,3,1,0.313,30,220,461.504,5.368,6,0.353,0.73,0.996,0.23742375436913166,0.28987046809677197,0.7569392091015009,0.7590466726064012,0.5108200260434514
EOS-3-47637,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cc(Cl)c2F)c1,IXDFAAYNXUQMFH-UHFFFAOYSA-N,3,1,0.59,35,393,464.863,4.801,5,0.359,0.62,1.0,0.9481101363854431,0.9522993626207936,0.9336748680693578,0.9360393393187582,0.9425309265985882
EOS-3-47638,Cc1nc(-c2nnc3cncc(-c4cn(-c5cc(F)nc(F)c5F)nn4)n23)n(C(F)F)n1,PQSZYDMWVZIJGI-UHFFFAOYSA-N,3,1,0.25,50,542,449.307,2.146,5,0.303,0.58,0.563,0.003923651566033856,0.08560927969296142,0.29979096703447333,0.36659584675484885,0.18897993626207937
EOS-3-47639,Cc1nc(-c2nnc3cncc(OCCc4cnc(F)c(Cl)c4)n23)ccc1-c1cnn(C)c1,DWHLAJKRIXZTHW-UHFFFAOYSA-N,3,1,0.423,31,773,464.892,3.704,5,0.353,0.57,1.0,0.5226766499897197,0.5321688026865876,0.5406243574806388,0.49176718525118224,0.5218092488520321
EOS-3-47640,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cccc(Cl)c5)nc4)n23)cc1,SLAZDOKPSLEJMH-UHFFFAOYSA-N,3,1,0.419,62,886,425.923,5.6,5,0.367,0.81,1.0,0.3986875471180865,0.5139041189774518,0.7951134260845727,0.8387619080254952,0.6366167500514015
EOS-3-47641,Cc1ncncc1-c1ccc(F)c(-c2cncc3nnc(-c4nccnc4-c4ccc(F)nc4)n23)c1,KPGDORNLSMUVRO-UHFFFAOYSA-N,3,1,0.264,64,449,479.454,4.354,6,0.344,0.68,0.58,0.26412685902268523,0.31528853402782536,0.6502124597354534,0.6632513193064218,0.4732197930230964
EOS-3-47642,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(Cc5ccc(Cl)cc5)n4)n23)cc1Cl,RTMRMWHDXZEXRD-UHFFFAOYSA-N,3,1,0.33,29,704,491.342,3.901,5,0.397,0.86,0.997,0.2911212391200055,0.315297100952642,0.4471934754300596,0.5318089918442875,0.39635520183674866
EOS-3-47643,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5sccc5F)n34)cc2Cl)cn1,IEUJGKDMYNDCLA-UHFFFAOYSA-N,3,1,0.512,16,526,454.918,5.108,5,0.356,0.72,1.0,0.509672058118018,0.6083972997052978,0.722483037488863,0.7359502433006648,0.6441256596532109
EOS-3-47644,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c(Cl)n2)nc1,PQRDILSPPBBKJK-UHFFFAOYSA-N,3,1,0.512,73,930,469.267,4.063,5,0.355,0.6,1.0,0.7105921458433281,0.8357806181892947,0.5572613254746076,0.6571516688369543,0.6901964395860463
EOS-3-47645,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)cnc4F)n23)c1F,AMNXKRGEYQTEOQ-UHFFFAOYSA-N,3,1,0.5,59,89,468.826,4.898,5,0.341,0.69,1.0,0.9173120416695223,0.9272411075320403,0.9662291823726955,0.9684994174491125,0.9448204372558426
EOS-3-47646,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)c1,XLWYMJKVWMEDKJ-UHFFFAOYSA-N,3,1,0.461,59,577,468.826,4.898,5,0.341,0.69,1.0,0.8831385785758344,0.8968370913576863,0.9579021314508944,0.9633849633335618,0.9253156911794942
EOS-3-47647,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)cc2F)n[nH]1,IDUCTYMYOJHKJP-UHFFFAOYSA-N,3,1,0.435,73,379,468.815,2.356,5,0.374,0.62,1.0,0.8444846138030293,0.7188506613665958,0.4214670002056062,0.44881262422040985,0.6084037248989104
EOS-3-47648,Fc1cnc(-c2cccnc2Cl)c(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c1,WPIRAYHYVIBINL-UHFFFAOYSA-N,3,1,0.297,10,317,468.883,4.894,6,0.342,0.66,0.772,0.023284901651703105,0.1812846960455075,0.6831094510314577,0.7740559248852033,0.4154337434034679
EOS-3-47649,Fc1ccnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)c2)c1,STYZOXRTFRJONA-UHFFFAOYSA-N,3,1,0.566,59,89,467.291,5.273,5,0.35,0.71,1.0,0.9535844013432938,0.9688934959906792,0.9419676512918923,0.9573367144129943,0.955445565759715
EOS-3-47650,Cc1cc(COc2cncc3nnc(-c4cncc(-c5ncccc5C)c4)n23)n(C)n1,RHQAWVKDXDZOJA-UHFFFAOYSA-N,3,1,0.413,92,662,412.457,3.178,5,0.437,0.67,1.0,0.21804537043382907,0.14146562949763553,0.1889263929819752,0.12093071071208279,0.16734202590638067
EOS-3-47651,FC(F)(F)c1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc(Cl)c1Cl,LFGHUMWCEXCJSL-UHFFFAOYSA-N,3,1,0.512,68,255,475.645,5.139,4,0.407,0.68,1.0,0.8735607566307998,0.9408368172160921,0.9940802549516825,0.9941230895757659,0.9506502295935851
EOS-3-47652,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(F)c2)ccn1,PSCVUCDZVJGORK-UHFFFAOYSA-N,3,1,0.534,11,141,464.863,4.801,5,0.336,0.65,1.0,0.9265814543211569,0.9610204920841615,0.8955006510862861,0.9095589747104379,0.9231653930505106
EOS-3-47653,CN(C)C(=O)c1ccc(-c2nnc3cncc(-c4ncnc(OCCc5cccc(F)n5)n4)n23)cc1,GHNCTUQPJGKUOU-UHFFFAOYSA-N,3,1,0.389,29,849,485.483,2.501,5,0.32,0.73,1.0,0.3094544582276746,0.19420361866904257,0.08749400315262833,0.03781440614077171,0.1572416215475293
EOS-3-47654,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1cccnc1F,WRNPAFMISUOTCJ-UHFFFAOYSA-N,3,1,0.449,87,132,478.875,3.461,5,0.324,0.66,0.996,0.6984185456788431,0.7553114933863341,0.40357069426358716,0.3730895757658831,0.5575975772736619
EOS-3-47655,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(OCc5ccccc5)c4)n23)cc1,RDKXYZZUIONASI-UHFFFAOYSA-N,3,1,0.437,79,319,483.959,4.974,5,0.353,0.83,1.0,0.5304382838736207,0.555265231992324,0.8120673702967582,0.7332088273593311,0.6577449283805086
EOS-3-47656,COc1ccc(-c2nnc3cncc(-c4ccccc4-c4ccc(C)nc4)n23)cc1F,SLDZMQXPPGLHHH-UHFFFAOYSA-N,3,1,0.383,62,3,411.44,4.976,5,0.417,0.83,1.0,0.5329226920704544,0.5185559591529024,0.8812709889658008,0.8265454732369268,0.6898237783565211
EOS-3-47657,CCc1cc(-c2cn(C)nc2C)cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)n1,ODJKBVOLVUEUGK-UHFFFAOYSA-N,3,1,0.489,13,573,463.904,5.042,5,0.363,0.71,0.997,0.38552018367486807,0.41104961962853814,0.6415341648961689,0.6078575834418477,0.5114903879103557
EOS-3-47658,Fc1c(Cl)nc(Cl)c(Cl)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,PQKNGVPFKUXXMW-UHFFFAOYSA-N,3,1,0.716,23,255,459.095,5.518,4,0.377,0.74,1.0,0.9815811116441642,0.9802104036734973,0.9730313206771297,0.9913045713110822,0.9815318518264684
EOS-3-47659,Cc1nc(-c2cncnc2)cc(-c2nnc3cncc(OCCc4cncnn4)n23)n1,NUYSZQQMCOATTM-UHFFFAOYSA-N,3,1,0.37,31,851,413.405,1.153,5,0.395,0.63,1.0,0.44631108217394283,0.18968028236584195,0.02540949900623672,0.02079192653005277,0.17054819751901856
EOS-3-47660,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)cc2Cl)ccn1,WXEQKSHWSDYXEZ-UHFFFAOYSA-N,3,1,0.494,97,606,460.9,5.237,5,0.357,0.7,1.0,0.8691145226509492,0.8646254540470153,0.8848862312384347,0.8516122952504969,0.8675596257967241
EOS-3-47661,CCc1nc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)ccc1-c1ncccc1F,WSRDLCUHQBVUJC-UHFFFAOYSA-N,3,1,0.417,18,795,476.903,4.015,5,0.347,0.61,0.996,0.7044325269001439,0.7375865259406483,0.19912960043862654,0.2639897882256185,0.47628461037625935
EOS-3-47662,Cn1cncc1-c1nnc2cncc(OCc3cc(-c4cnc(CF)cn4)nc(F)c3Cl)n12,TYHGWRWLAYALIM-UHFFFAOYSA-N,3,1,0.361,7,828,469.843,3.218,5,0.349,0.57,0.778,0.4510657254471935,0.3587399766979645,0.4578507299019944,0.455075046261394,0.4306828695771366
EOS-3-47663,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(C(F)(F)F)c4)n23)nc1,FNWQCRAWJNNVMY-UHFFFAOYSA-N,3,1,0.388,63,457,489.845,3.725,5,0.411,0.78,1.0,0.5642005345761085,0.4911160989651155,0.7951219930093893,0.7435062709889658,0.6484862243848948
EOS-3-47664,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6(C)CC6)cc5)n34)n2)o1,IJKIMGJNGFEWPE-UHFFFAOYSA-N,3,1,0.45,89,398,482.504,3.406,6,0.37,0.68,1.0,0.41390240559248853,0.15291960797752038,0.032151668836954285,0.03470461243232129,0.15841957370982113
EOS-3-47666,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5csc(C)n5)c4)n23)c1,NGLCJNIYJNGDEO-UHFFFAOYSA-N,3,1,0.531,24,99,420.523,4.567,5,0.415,0.66,1.0,0.37642210951956684,0.36837776711671577,0.24174148447673224,0.17705263518607361,0.29089849907477217
EOS-3-47667,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cc(F)cc(Cl)c5)nn5cccc45)n23)cn1,DWVDTXHEAOPBHY-UHFFFAOYSA-N,3,1,0.343,96,140,485.87,3.454,6,0.404,0.66,0.693,0.14332465218285245,0.30001370707970665,0.3514495236789802,0.4582705092180111,0.3132645980398876
EOS-3-47668,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5c(F)cccc5F)nc4)n23)nc1)N1CC(F)C1,UHGBTTKIAJKMJU-UHFFFAOYSA-N,3,1,0.318,96,821,487.445,3.987,6,0.381,0.76,0.71,0.33465835103831126,0.4156586251799054,0.46842231512576243,0.6254797477897334,0.46105475978342814
EOS-3-47669,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)nn2C)cn1,MAZUREBSFFYTOL-UHFFFAOYSA-N,3,1,0.402,7,828,414.433,1.968,5,0.425,0.63,1.0,0.1543588513467206,0.04887430607908985,0.03615242272633815,0.01579740936193544,0.063795747378521
EOS-3-47670,COc1cc(C)c(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccc2F)cn1,RFPSLIWBQRQSPM-UHFFFAOYSA-N,3,1,0.452,16,253,477.887,4.332,5,0.356,0.67,1.0,0.7230056199026798,0.817387430607909,0.7250788157083133,0.6314337605373175,0.7242264066890549
EOS-3-47671,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3cnc(C#Cc4ccccc4)nc3)n12,SNRQUXCAVHQBLG-UHFFFAOYSA-N,3,1,0.511,1,676,472.43,4.637,5,0.347,0.66,1.0,0.9429185799465424,0.9480930025358097,0.9556575971489274,0.9277037214721403,0.943593225275855
EOS-3-47672,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)c(Cl)c1,YROCPLYERRULFL-UHFFFAOYSA-N,3,1,0.57,34,929,467.291,5.273,5,0.35,0.72,1.0,0.9102186279213214,0.9739736824069632,0.9086166129806045,0.9459769721060928,0.9346964738537454
EOS-3-47673,Cc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cc(F)ncn5)c4)n23)c(Cl)n1,VSKQCYAFQFWUOY-UHFFFAOYSA-N,3,1,0.495,75,583,462.876,3.761,5,0.277,0.68,1.0,0.8735693235556165,0.842762661914879,0.5271742855184703,0.5115739154273182,0.688770046604071
EOS-3-47675,FC(F)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)cn5)cs4)n23)cn1,IYHZUAQPDPZONZ-UHFFFAOYSA-N,3,1,0.489,27,786,471.88,4.875,5,0.348,0.72,1.0,0.6468028236584196,0.8461465972174628,0.6967736961140429,0.6892776368994585,0.719750188472346
EOS-3-47676,Cc1cnc(-c2cc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)on2)s1,QSISPARLIPUNMM-UHFFFAOYSA-N,3,1,0.295,32,935,438.476,4.335,6,0.4,0.55,0.997,0.08369028853402782,0.1201853882530327,0.11543074497978206,0.13603419916386814,0.11383515523267768
EOS-3-47677,COc1cc(-c2nnc3cncc(OCc4cccc(-n5cccn5)n4)n23)ccc1-c1cccnc1,AFZPNRWSKMDCKR-UHFFFAOYSA-N,3,1,0.495,40,25,476.5,4.022,6,0.34,0.63,1.0,0.23461380302926463,0.19886402576930984,0.4718919196765129,0.3566839147419642,0.3155134158042629
EOS-3-47678,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cccc(C)n5)n34)c2)cn1,RRXSIMULZUYBRB-UHFFFAOYSA-N,3,1,0.466,7,464,410.441,3.234,5,0.435,0.69,1.0,0.3740747721197999,0.24879206360084985,0.2780224110753204,0.18279247481324104,0.2709204304023028
EOS-3-47679,Cc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccnc(F)c1,XXFCTQUWEFZAMM-UHFFFAOYSA-N,3,1,0.409,13,145,450.836,5.281,5,0.347,0.7,1.0,0.7291566719210473,0.8095658282502913,0.9104670687410047,0.9139538071413885,0.8407858440134329
EOS-3-47680,Cc1nc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)[nH]c1F,CFLIFWFKTMVAFF-UHFFFAOYSA-N,3,1,0.435,31,466,417.408,2.435,5,0.447,0.54,0.994,0.5726389555205263,0.42908299636762387,0.19913816736344322,0.1828010417380577,0.34591529024741274
EOS-3-47681,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(OC5CCOCC5)cn4)n23)cc1,KNOXBZJYVSWELZ-UHFFFAOYSA-N,3,1,0.357,62,366,467.504,5.217,6,0.353,0.72,1.0,0.43223562470015764,0.47780309780001373,0.5995133986704133,0.7304160098690974,0.5599920327599205
EOS-3-47682,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cncc(-c4cscn4)c3)n12,QLZDZHSAEBIXBN-UHFFFAOYSA-N,3,1,0.474,2,265,453.89,4.119,5,0.382,0.54,1.0,0.7259612089644302,0.737595092865465,0.6558751970392708,0.6837177026934411,0.7007873003906517
EOS-3-47683,Cc1cn(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c(Cl)c2)n1,JQJJYVSYMXVETP-UHFFFAOYSA-N,3,1,0.487,61,121,466.879,5.422,5,0.346,0.79,1.0,0.5047289424988006,0.7052292509080941,0.9306336097594408,0.9183572064971558,0.7647372524158729
EOS-3-47684,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)ncn1,XWYIIYKAIRAOCF-UHFFFAOYSA-N,3,1,0.5,65,858,410.441,2.968,5,0.421,0.69,1.0,0.6557209923925708,0.3633575491741485,0.31821842231512576,0.24590500993763278,0.3958004934548694
EOS-3-47685,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cnsc4)cn3)n12,GTHFOSDADDUOPD-UHFFFAOYSA-N,3,1,0.42,46,119,439.863,4.076,5,0.381,0.54,1.0,0.6437444314988692,0.6132290453018985,0.706985470495511,0.7250188472345966,0.6722444486327188
EOS-3-47686,CCCOCc1cccc2nc(-c3cncc4nnc(-c5ccc(C(=O)NC)c(F)c5)n34)sc12,RJYFZPBGNITLRG-UHFFFAOYSA-N,3,1,0.301,0,715,476.537,4.493,5,0.348,0.77,0.999,0.22636385443081353,0.22339969844424645,0.2742101295319032,0.2401823041600987,0.24103899664176545
EOS-3-47687,CC#Cc1ncc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1C,VAXZAPVLHVYGTC-UHFFFAOYSA-N,3,1,0.516,90,636,422.851,3.675,4,0.36,0.59,1.0,0.7617880885477349,0.8556901514632308,0.6993609074086766,0.6282725652799671,0.7362779281749025
EOS-3-47689,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnn2)c1,TTWLWIBTBCFUHM-UHFFFAOYSA-N,3,1,0.556,11,275,413.416,3.404,5,0.421,0.6,1.0,0.6894832430950586,0.7235710369405798,0.4956908368172161,0.5318175587691042,0.6101406689054897
EOS-3-47691,COCC=Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nn2C)cn1,OYXWEUYAOWUUMT-UHFFFAOYSA-N,3,1,0.4,31,658,469.509,2.658,5,0.321,0.6,1.0,0.11606469741621547,0.013715646631485163,0.12135905695291618,0.056139058323624154,0.07681961483106024
EOS-3-47692,Cn1nc(CF)cc1-c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccn1,YVKNYLQHWQEHOA-UHFFFAOYSA-N,3,1,0.5,58,819,464.892,3.726,5,0.338,0.6,1.0,0.5226852169145364,0.5461157562881228,0.3144661092454253,0.33429854019601124,0.42939140566102396
EOS-3-47693,COc1ncc(-c2nnc3cncc(OCCc4c(F)cccc4F)n23)cc1-c1cnc(C)nc1,SFUPVZJDXOEBIT-UHFFFAOYSA-N,3,1,0.534,84,657,475.459,3.86,5,0.35,0.62,1.0,0.7439431841546159,0.7052378178329107,0.6616835720649715,0.535098690973888,0.6614908162565966
EOS-3-47694,Fc1ccnc(-c2nccc(Cc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)c1,PEHXOWSYNVFPOS-UHFFFAOYSA-N,3,1,0.379,85,81,418.823,3.422,5,0.412,0.51,1.0,0.32456651360427663,0.4687992598176958,0.4472020423548763,0.5644061407717086,0.4512434891371393
EOS-3-47695,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cscn1,RGBGQQLZYFIQNO-UHFFFAOYSA-N,3,1,0.418,49,501,466.914,3.383,5,0.356,0.56,0.984,0.5252638612843533,0.5005482831882667,0.11833493249263244,0.1139829346857652,0.3145325029127544
EOS-3-47696,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cscc5Cl)cc4)n23)on1,QBDYVXRNTPLXQW-UHFFFAOYSA-N,3,1,0.64,16,256,423.885,5.049,5,0.393,0.73,1.0,0.7986172983345898,0.7280429716948804,0.6558837639640874,0.6659756013981222,0.71212990884792
EOS-3-47697,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)c(F)c1,VOPJWQVFYGAZAX-UHFFFAOYSA-N,3,1,0.61,59,96,466.879,5.185,5,0.344,0.72,1.0,0.8905832362415187,0.8812452881913508,0.9320300185045576,0.9256990610650401,0.9073894010006167
EOS-3-47698,Cc1nc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)n(C)n1,RHKNISTXWGYZSQ-UHFFFAOYSA-N,3,1,0.494,36,554,472.361,4.843,5,0.364,0.67,1.0,0.44859845109999313,0.6658984990747722,0.4035792611884038,0.5014735110684668,0.504887430607909
EOS-3-47699,Fc1ccc(-c2ncoc2-c2nnc3cncc(OCc4ncc(-c5ccsc5)nn4)n23)cc1,ATMVPLRWBGCFBK-UHFFFAOYSA-N,3,1,0.466,6,355,472.465,4.078,6,0.353,0.67,1.0,0.569991775752176,0.5139126859022686,0.2525358097457337,0.31846686313480915,0.4137267836337468
EOS-3-47701,Cn1nnc(-c2cnc(F)c(-c3cncc4nnc(-c5cnc(C(C)(F)F)c(F)c5)n34)c2)n1,JOIHSTVJRCMHMS-UHFFFAOYSA-N,3,1,0.333,50,243,456.367,2.829,5,0.3,0.6,1.0,0.21249400315262834,0.37302104036734973,0.6667808923308889,0.5581180179562745,0.45260348845178533
EOS-3-47702,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)ccn2)c(F)n1,AELWDGMDAJGISI-UHFFFAOYSA-N,3,1,0.457,55,441,450.384,3.343,5,0.297,0.61,1.0,0.832525186758961,0.7422812007401823,0.7277602631759303,0.6489445548625865,0.7378778013844149
EOS-3-47703,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)[nH]c(=N)n2)c1,RAHFXSDIJNTXRQ-UHFFFAOYSA-N,3,1,0.36,7,94,435.839,1.417,5,0.421,0.55,0.995,0.20719964361592763,0.1414741964224522,0.1070608594338976,0.08871050647659516,0.13611130148721814
EOS-3-47704,Cc1cc(-c2cc(=O)n(C)cn2)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,HOUTWDJSARBYAZ-UHFFFAOYSA-N,3,1,0.392,51,379,478.875,3.022,5,0.354,0.65,1.0,0.5096806250428346,0.4778116647248304,0.40358782811322047,0.3891182920978685,0.4450496024946885
EOS-3-47705,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)ns5)n34)cc2)nc1,XVXVEFIEYGFVPP-UHFFFAOYSA-N,3,1,0.361,93,203,447.527,5.347,6,0.362,0.75,1.0,0.07944109382496059,0.12743300664793367,0.36276643136179837,0.4171235693235556,0.24669102528956205
EOS-3-47706,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ncn(C)n5)nc4C)n23)nn1,NESJXBQTCLMEAJ-UHFFFAOYSA-N,3,1,0.423,31,105,429.448,1.405,5,0.39,0.48,1.0,0.3219279007607429,0.21302515249126175,0.0072990199438009735,0.0028956205880337196,0.13628692344595983
EOS-3-47707,CCn1cncc1-c1cc(C#N)cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,LTKBPNQGKKXIJD-UHFFFAOYSA-N,3,1,0.5,26,669,470.924,4.216,5,0.328,0.65,1.0,0.7291652388458639,0.6034541840860804,0.6914279350284422,0.6517630731272702,0.6689526077719142
EOS-3-47710,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)nc2F)c[nH]1,RSRXCCRDVRESEX-UHFFFAOYSA-N,3,1,0.517,13,573,439.813,4.609,5,0.411,0.54,1.0,0.74997429922555,0.7097782879857446,0.8355321773696114,0.848048454526763,0.7858333047769173
EOS-3-47711,Fc1ccccc1-c1cc(-c2cncc3nnc(-c4cnc(-c5ccccc5)c(F)c4)n23)cnn1,DVYAXOHIAJYSJV-UHFFFAOYSA-N,3,1,0.346,30,220,463.451,5.256,6,0.355,0.66,1.0,0.26660270029470223,0.4645072304845453,0.845032896991296,0.8868823247207183,0.6157562881228155
EOS-3-47712,Fc1cnc(-c2cccc(-c3nnc4cncc(COCCc5ccc(Cl)nc5)n34)c2)nc1,RWPNVOBCSZAMJX-UHFFFAOYSA-N,3,1,0.424,14,351,461.888,4.195,5,0.265,0.73,1.0,0.4095161400863546,0.40165170310465353,0.6176581454321157,0.6489531217874032,0.5194447776026317
EOS-3-47713,Cc1cc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccc5)n34)cc2)on1,GJVJKXLVMAWBMW-UHFFFAOYSA-N,3,1,0.347,69,220,436.5,5.545,6,0.361,0.74,1.0,0.12982317867178397,0.1644421218559386,0.46843088205057914,0.4888115961894318,0.3128769446919334
EOS-3-47714,Fc1cc(-c2cncc3nnc(-c4ccccc4F)n23)ccc1-c1ccnn1-c1ccccc1,JEGPCLLRTGQAOJ-UHFFFAOYSA-N,3,1,0.403,30,68,450.452,5.589,6,0.351,0.73,1.0,0.08159995887876088,0.33921595504077856,0.904555890617504,0.9288345555479405,0.563551590021246
EOS-3-47715,Fc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4cnc(Cl)c(F)c4)c3)n12,SELVJCZTFIWEIL-UHFFFAOYSA-N,3,1,0.479,65,778,466.839,3.591,5,0.35,0.55,1.0,0.8170961551641422,0.870356726749366,0.7616852854499349,0.7857240764855048,0.808715560962237
EOS-3-47716,Cc1ncc(-c2ccc(-c3nnc4cncc(Cc5cnnc(C(F)(F)F)c5F)n34)cc2)o1,WLCCZVYHMXRMOK-UHFFFAOYSA-N,3,1,0.361,14,476,455.375,4.293,5,0.373,0.54,1.0,0.48473373997669794,0.6316993352066342,0.9152988143376054,0.8207285312864094,0.7131151052018367
EOS-3-47717,COc1ncc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cc1-c1cncn1C,VBNPTIPTQRIJIQ-UHFFFAOYSA-N,3,1,0.455,87,307,480.891,3.404,5,0.349,0.64,1.0,0.5585463641971078,0.5139212528270852,0.4891114385580152,0.41074977725995476,0.4930822082105407
EOS-3-47718,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)s2)c1,HAVITQMKIZLOQW-UHFFFAOYSA-N,3,1,0.284,76,368,439.529,5.1,6,0.38,0.64,0.995,0.06938352409019258,0.14148276334726886,0.362774998286615,0.4012661914879035,0.24372686930299498
EOS-3-47719,CCc1ncc(-c2cccc(-c3nnc4cncc(Cc5cccc(F)c5)n34)c2)cn1,UNBHBNGTLGORKX-UHFFFAOYSA-N,3,1,0.414,14,358,410.456,4.541,5,0.425,0.77,1.0,0.3393187581385786,0.43818963744774175,0.6415427318209855,0.6602443286957713,0.5198238640257693
EOS-3-47720,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5cncc(Cl)c5Cl)n34)c2)o1,KXMYOVQZZIHZOW-UHFFFAOYSA-N,3,1,0.42,18,840,468.304,4.473,5,0.36,0.6,1.0,0.6409087793845522,0.5185645260777192,0.5929939688849291,0.622652662600233,0.5937799842368583
EOS-3-47721,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)cc(Cl)c2F)n1,OPNFQIWURVJNLW-UHFFFAOYSA-N,3,1,0.553,37,619,455.906,4.062,5,0.384,0.51,1.0,0.635031868960318,0.6950860119251594,0.527182852443287,0.5581265848810911,0.6038568295524639
EOS-3-47722,Fc1ccc(Cl)nc1-n1cc(-c2cncc3nnc(-c4nccnc4-c4ccccc4)n23)nn1,LUOWVDHTVXURHK-UHFFFAOYSA-N,3,1,0.324,39,144,470.859,3.684,6,0.358,0.54,1.0,0.020226509492152697,0.12386916592419984,0.23103282845589748,0.40402474127887056,0.19478831128778015
EOS-3-47723,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4ccc(F)c(Cl)n4)ncn3)n12,QHKLJAWWARVXRS-UHFFFAOYSA-N,3,1,0.376,44,971,472.242,5.021,5,0.339,0.72,0.962,0.7044410938249606,0.742289767664999,0.9045644575423206,0.9360479062435748,0.8218358063189637
EOS-3-47724,Fc1cccc(-c2cnc(Cc3cncc4nnc(-c5ccc(Cl)nc5)n34)cc2Cl)n1,NHUSUOJBKCQHIX-UHFFFAOYSA-N,3,1,0.376,14,81,452.28,4.68,5,0.369,0.56,1.0,0.3809368788979508,0.5509560688095402,0.8175073675553424,0.8895295044890686,0.6597324549379755
EOS-3-47725,O=C(c1ccncc1)c1nccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)n1,HCSRNGGOCHRNFD-UHFFFAOYSA-N,3,1,0.402,27,52,479.382,2.595,5,0.335,0.64,0.902,0.47750325543143035,0.49601637996024944,0.5203036118155027,0.35347988486053045,0.4618257830169282
EOS-3-47726,CC(=O)c1ncc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)cc1Cl,MYIIGWCONDFNBG-UHFFFAOYSA-N,3,1,0.524,68,811,416.228,3.065,4,0.361,0.67,1.0,0.6557295593173874,0.67533925022274,0.29626996093482283,0.3184754300596258,0.48645355013364405
EOS-3-47727,Cn1cncc1-c1cc(F)c(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)nc1F,YUJWYSVOXMAYFU-UHFFFAOYSA-N,3,1,0.541,59,294,455.375,3.722,5,0.297,0.62,0.999,0.7760862860667535,0.6659070659995888,0.8941984785141526,0.879771777122884,0.8039909019258448
EOS-3-47728,O=C1c2ccN1CCCCc(-c1cncc3nnc(-c4cnc(-c5ccccn5)nc4)n13)cc2,YSMFBJPMNQGCPA-UHFFFAOYSA-N,3,1,0.324,78,701,448.49,3.493,6,0.473,0.58,0.26,0.08838496333356179,0.016508464121718868,0.007307586868617641,0.011274073058734837,0.030868771845658283
EOS-3-47729,NC(=O)c1ccc(-c2nnc3cncc(COCc4cc(-c5cccc(Cl)c5)cs4)n23)cc1,XTGSHVSDIJVTSP-UHFFFAOYSA-N,3,1,0.474,62,319,475.961,4.989,5,0.358,0.75,1.0,0.38094544582276746,0.40166027002947025,0.727768830100747,0.7145243643341787,0.5562247275717909
EOS-3-47730,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)nc5)n34)cn2)n[nH]1,MMXOXWVYOOIJOY-UHFFFAOYSA-N,3,1,0.454,28,881,477.488,4.046,6,0.362,0.68,1.0,0.45333596052361047,0.37784421903913373,0.28183469261873756,0.2112003975053115,0.33105381742169837
EOS-3-47731,Cc1cccc(-c2cnc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cn2)n1,PIWDPIRWXKJBTR-UHFFFAOYSA-N,3,1,0.424,18,981,449.927,4.288,5,0.382,0.55,0.984,0.572647522445343,0.6034627510108971,0.3035432801041738,0.3343071071208279,0.45349016517031043
EOS-3-47732,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1cscn1,DFZGOQVOPRZWPQ-UHFFFAOYSA-N,3,1,0.558,35,265,470.892,4.863,5,0.352,0.66,1.0,0.9380697005003084,0.9321071208279076,0.8734236858337331,0.8881502295935851,0.9079376841888835
EOS-3-47733,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c(F)c2)cn1,RINIWBXSYCVVKB-UHFFFAOYSA-N,3,1,0.588,13,15,452.852,5.399,5,0.357,0.74,1.0,0.592762661914879,0.7422983345898156,0.9263758481255568,0.9288431224727571,0.7975699917757522
EOS-3-47734,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccccn5)nn4)n23)cc1,MOHSHTHRBJIXTG-UHFFFAOYSA-N,3,1,0.495,81,755,477.488,3.748,6,0.339,0.64,1.0,0.3487595092865465,0.18545678843122473,0.3290984168322939,0.2253272565279967,0.2721604927695155
EOS-3-47735,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nnsc5Cl)cn4)n23)ccc1Cl,YFCZIGGKSZYMDY-UHFFFAOYSA-N,3,1,0.541,4,712,470.345,4.899,5,0.361,0.74,1.0,0.44149647042697554,0.6462888081694195,0.5740953327393599,0.657160235761771,0.5797602117743814
EOS-3-47737,CCc1nc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)ncc1-c1nc(C)nn1C,XLLUKUMJOAANHZ-UHFFFAOYSA-N,3,1,0.37,31,105,464.44,2.5,5,0.349,0.54,0.978,0.364736824069632,0.2898790350215886,0.04994517168117332,0.05766397094099102,0.19055625042834623
EOS-3-47738,Fc1ccc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c(Oc2ccccc2)c1,HUMKQAYIZPFWTA-UHFFFAOYSA-N,3,1,0.372,30,327,461.46,5.242,6,0.347,0.69,0.981,0.4463196490987595,0.5461243232129395,0.7616938523747515,0.7617709546981015,0.628977194846138
EOS-3-47739,Cc1ccc(F)cc1COc1cncc2nnc(-c3cc(-c4ccccc4)ccn3)n12,QRQMGADTWPGORB-UHFFFAOYSA-N,3,1,0.471,1,198,411.44,4.88,5,0.412,0.83,1.0,0.7846789116578713,0.6753478171475568,0.8466691796312795,0.8387704749503119,0.7863665958467548
EOS-3-47740,COc1nc(-c2nnc3cncc(Oc4cc(F)cc(F)c4F)n23)ccc1-c1ncc(F)cn1,OFFSZJQVAKCYDV-UHFFFAOYSA-N,3,1,0.4,73,665,469.358,4.001,5,0.281,0.7,0.963,0.842145843328079,0.7636556781577685,0.797477897333973,0.7463247892536495,0.7874010520183675
EOS-3-47741,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccc(Cl)n4)n23)cnc1OC,XLOGXFAQVQKYMF-UHFFFAOYSA-N,3,1,0.385,65,905,477.916,3.143,5,0.31,0.67,1.0,0.36709272839421564,0.310088410664108,0.1097765746007813,0.08167706120211089,0.21715869371530397
EOS-3-47742,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ncn2)ccn1,QGZZGQHLIOAPCP-UHFFFAOYSA-N,3,1,0.35,46,395,467.827,3.274,5,0.347,0.56,0.916,0.637970324172435,0.5987509423617299,0.4138938386676719,0.43618497704064146,0.5217000205606196
EOS-3-47743,Cc1nn(-c2ccccc2)cc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)cc3)n12,MSTKRNIRFAIVRD-UHFFFAOYSA-N,3,1,0.366,93,68,446.489,5.759,6,0.346,0.82,1.0,0.01641422794873552,0.23318312658488108,0.8210797752038929,0.8516208621753135,0.48057449797820573
EOS-3-47744,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ncc(C(F)F)cc5C)n34)c(F)c2)nc1,OZUKULPZSPGCMW-UHFFFAOYSA-N,3,1,0.286,96,315,446.436,5.609,5,0.359,0.73,0.999,0.30946302515249124,0.4469536015351929,0.9336834349941745,0.9128743746144884,0.6507436090740868
EOS-3-47745,CC(C)n1ncnc1-c1cccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c1,TXKFLSUOGNADGO-UHFFFAOYSA-N,3,1,0.477,13,145,449.877,5.216,5,0.366,0.71,1.0,0.46239976697964497,0.5413953807141388,0.672169488040573,0.6489616887122198,0.5812315811116442
EOS-3-47746,Fc1ccc(-c2nnc3cncc(OCCc4ncc(Br)o4)n23)cc1-c1ccccn1,SKIIYYVVQVCEBP-UHFFFAOYSA-N,3,1,0.539,11,275,481.285,4.364,5,0.356,0.74,1.0,0.8691230895757659,0.7594064834487012,0.5237560825166199,0.5547512165033239,0.6767592180111028
EOS-3-47747,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)nc1,JVVKXGASONJWAM-UHFFFAOYSA-N,3,1,0.447,18,692,465.851,4.196,5,0.347,0.56,1.0,0.8042029333150572,0.7423069015146323,0.7910098690973888,0.812564251936125,0.7875209889658008
EOS-3-47748,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cc2)n1,RORDQNQYOZDCBB-UHFFFAOYSA-N,3,1,0.333,69,958,438.541,5.705,6,0.353,0.79,1.0,0.11882324720718251,0.22846275101089714,0.6235693235556165,0.6343550818998013,0.40130260091837433
EOS-3-47749,Fc1cc(F)c(F)c(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)c1,QTFSXRLRSLODKP-UHFFFAOYSA-N,3,1,0.554,2,884,454.437,4.349,5,0.355,0.62,1.0,0.7439517510794326,0.7766003015557535,0.8894524021657186,0.8770474950311836,0.8217629874580221
EOS-3-47750,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(-c3cnc(-c4nn(C)n4C)s3)n12,CMBWPNUSFWBUNA-UHFFFAOYSA-N,3,1,0.319,98,608,470.522,3.119,6,0.378,0.6,1.0,0.15166027002947022,0.1043194434925639,0.026488931533136865,0.017039613460352272,0.07487706462888082
EOS-3-47751,O=C(NCCc1ccc(F)c(F)c1)c1ccc(-c2nnc3cncc(Cc4ccc(F)cn4)n23)cc1,YLORBQIVGNUZGT-UHFFFAOYSA-N,3,1,0.459,14,358,488.473,4.167,5,0.372,0.78,1.0,0.4095247070111713,0.4469621684600096,0.8338530601055445,0.7950363237612227,0.621344064834487
EOS-3-47752,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cn2)c1,MVDCJBJOLPVTBJ-UHFFFAOYSA-N,3,1,0.314,32,174,422.473,5.237,6,0.387,0.7,1.0,0.2014855047632102,0.23319169350969776,0.6261479679254335,0.6314423274621342,0.42306687341511895
EOS-3-47753,COc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ncc(C)nc3Cl)n12,DQCMYABXBXKUHC-UHFFFAOYSA-N,3,1,0.449,65,456,475.9,3.025,5,0.346,0.58,1.0,0.6208450414639161,0.5277225687067371,0.04995373860598999,0.04277465560962237,0.3103240010965664
EOS-3-47754,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc(Cl)n2)no1,HVODWXSAUFILGB-UHFFFAOYSA-N,3,1,0.636,43,97,453.289,5.036,5,0.345,0.7,1.0,0.9240542115002399,0.8990302241107532,0.7355133301350147,0.7834195737098211,0.8355043348639573
EOS-3-47755,COc1ncc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1-c1ncc(F)cn1,QEAMLDHHBZALLP-UHFFFAOYSA-N,3,1,0.551,84,166,479.422,3.691,5,0.349,0.66,1.0,0.8325337536837777,0.797375094236173,0.6967822630388596,0.62548831471455,0.7380448564183402
EOS-3-47756,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4ncco4)c(Cl)c3)n12,JJZPDZVTOJSMBZ-UHFFFAOYSA-N,3,1,0.558,35,265,471.279,4.909,5,0.348,0.67,1.0,0.9360393393187582,0.8812538551161675,0.8592197244876979,0.8855630182989515,0.8905189843053938
EOS-3-47757,N#Cc1nc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4F)n23)n1,DEWBVOGUKFUJFA-UHFFFAOYSA-N,3,1,0.408,58,338,448.809,2.61,5,0.317,0.58,0.999,0.6681258995271058,0.7144215612363786,0.3553046398464807,0.3794719347543006,0.5293310088410664
EOS-3-47758,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(Cl)n1,SPEMQWQQWNHBLL-UHFFFAOYSA-N,3,1,0.54,11,922,470.345,4.633,5,0.357,0.64,1.0,0.8491450209032966,0.8865996162017682,0.39260503049825235,0.5215029812898362,0.6624631622232884
EOS-3-47759,Cn1nnc(-c2cncc(-c3ccnc(-c4nnc5cncc(OCc6ccns6)n45)c3)c2)n1,YONBJWGWVUYXJI-UHFFFAOYSA-N,3,1,0.367,80,843,469.494,2.474,6,0.358,0.57,1.0,0.28013844150503736,0.13778185182646838,0.0672760605852923,0.06526283325337537,0.13761479679254335
EOS-3-47760,CC#Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)c2)[nH]1,DPTKWRLASWCUIH-UHFFFAOYSA-N,3,1,0.411,13,995,445.845,4.533,5,0.408,0.55,1.0,0.6011154136111302,0.6706874100472894,0.8577376464944144,0.8463950380371462,0.743983877047495
EOS-3-47761,CCc1nc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nn4)n23)ccc1-c1ccccn1,AHJAXHDSZQNVCS-UHFFFAOYSA-N,3,1,0.432,27,52,479.426,3.594,5,0.36,0.63,0.979,0.49708724556233297,0.5051230210403673,0.3963916112672195,0.2639983551504352,0.4156500582550887
EOS-3-47762,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4C#N)n23)n1,PJOJQMUICCLSKC-UHFFFAOYSA-N,3,1,0.423,4,677,411.385,2.39,5,0.423,0.66,1.0,0.48474230690151465,0.42464532931258997,0.28184325954355427,0.21426735658967858,0.3513745630868344
EOS-3-47763,Fc1ccc(-c2nnc3cncc(CCCOc4ccccc4)n23)cc1-c1ncccc1F,HVVIIYFQYWDHKF-UHFFFAOYSA-N,3,1,0.448,57,18,443.457,5.143,5,0.326,0.71,1.0,0.7439603180042492,0.8251404975669934,0.7733363032006031,0.814705983140292,0.7892857754780345
EOS-3-47764,COc1cc(COc2cncc3nnc(-c4cnccc4-c4ccccn4)n23)ccn1,OETIFDGSTSSLJY-UHFFFAOYSA-N,3,1,0.422,97,183,411.425,3.231,5,0.42,0.68,1.0,0.430162428894524,0.28988760194640534,0.4214755671304229,0.2966212048523062,0.3595367007059146
EOS-3-47765,Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,ZXYOUHJGCBUKQX-UHFFFAOYSA-N,3,1,0.438,65,466,411.429,2.363,5,0.415,0.64,0.999,0.5304468507984373,0.25370947844561714,0.14162840106915223,0.11859194023713247,0.2610941676375848
EOS-3-47767,Cn1cc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)c(-c6ccccn6)c5)n34)cn2)cn1,BPVAGNMTDRRNDY-UHFFFAOYSA-N,3,1,0.411,6,318,481.907,4.49,6,0.354,0.75,1.0,0.4822750325543143,0.6180607908984991,0.5638235898841751,0.5480518812966897,0.5530528236584196
EOS-3-47768,COc1cc(-c2nnc3cncc(-c4ccc(-c5nncn5C)cc4Cl)n23)ccc1C(C)(C)C,LMPRQKJKVDHFNN-UHFFFAOYSA-N,3,1,0.353,61,269,473.968,5.213,5,0.356,0.79,1.0,0.35552737989171407,0.3778527859639504,0.7780138441505038,0.5836131862106778,0.5237517990542115
EOS-3-47769,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5C)n34)c(F)n2)n1,QXDMYZYWHJJBGZ-UHFFFAOYSA-N,3,1,0.453,58,24,461.436,2.95,5,0.352,0.52,0.999,0.6775495168254403,0.7508652594064834,0.18893495990679185,0.19370673702967584,0.45276411829209784
EOS-3-47770,CCn1nc(C)cc1COc1cncc2nnc(-c3cnnc(-c4ccc(Cl)cc4)c3)n12,JTUABPDVONIKOK-UHFFFAOYSA-N,3,1,0.446,36,534,446.902,4.006,5,0.389,0.54,0.999,0.29112980604482214,0.4732026591734631,0.2557998081008841,0.3062418614214242,0.3315935336851484
EOS-3-47771,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)nn1,CLPXFQRSPKPDJJ-UHFFFAOYSA-N,3,1,0.511,59,607,467.386,4.087,5,0.284,0.68,1.0,0.8602306216160647,0.8212425467754095,0.9280549653896237,0.912882941539305,0.8806027688301007
EOS-3-47772,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cn5)n34)nn2)n(C)n1,TYMNPFXUEPKHOL-UHFFFAOYSA-N,3,1,0.307,99,502,479.508,3.186,6,0.366,0.62,0.992,0.30674730998560756,0.14902165718593655,0.087502570077445,0.04163525460900555,0.14622669796449866
EOS-3-47773,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)n1,CKDCQWFJIXSSGR-UHFFFAOYSA-N,3,1,0.654,44,570,478.89,5.11,5,0.337,0.78,1.0,0.9628623809197451,0.927249674456857,0.8650280995133987,0.8840466726064012,0.9097967068741005
EOS-3-47774,COc1cc(-c2nncc(C)n2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,KVWXJWDCRZNMKB-UHFFFAOYSA-N,3,1,0.495,37,265,476.447,3.255,5,0.349,0.57,1.0,0.7958930162428894,0.6223528202316496,0.5237646494414365,0.4171321362483723,0.589785655541087
EOS-3-47775,N#Cc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nc1,XJPOJUYYBNVEQZ-UHFFFAOYSA-N,3,1,0.303,50,813,411.816,3.23,5,0.444,0.61,1.0,0.24537386059899938,0.34905935165512986,0.5801435816599273,0.677763689945857,0.4630851209649784
EOS-3-47776,CCc1nc(-c2nnc3cncc(Oc4ccc(F)c(C)c4)n23)ccc1-c1cnc(C)nc1C,BRBWSDUHTZKCDD-UHFFFAOYSA-N,3,1,0.412,13,690,455.497,5.062,5,0.366,0.69,0.998,0.6181207593722158,0.5693321225412926,0.4362106778150915,0.33431567404564455,0.48949480844356114
EOS-3-47777,Clc1cc(-c2conn2)ncc1COc1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,ZLOLTHIIHGFMSR-UHFFFAOYSA-N,3,1,0.489,40,2,472.852,4.124,6,0.348,0.65,1.0,0.6805479405112741,0.5793982592008773,0.5674302652319924,0.5676615722020424,0.5987595092865465
EOS-3-47778,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c(F)cn2)nc1,BIZFQIZMWBZCCU-UHFFFAOYSA-N,3,1,0.645,59,13,468.826,4.898,5,0.365,0.63,1.0,0.9544582276745939,0.9394404084709752,0.9551350147351106,0.962091357686245,0.9527812521417313
EOS-3-47779,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)s1,ZRNHUOSATWJXAI-UHFFFAOYSA-N,3,1,0.319,10,783,472.484,4.749,6,0.368,0.64,0.998,0.003238297580700432,0.11682715372489891,0.41390240559248853,0.5644147076965252,0.2745956411486533
EOS-3-47780,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCc5ncc(F)cn5)s4)n23)cc1,YRSHCICCUBVXKE-UHFFFAOYSA-N,3,1,0.355,74,333,488.508,2.739,5,0.376,0.72,1.0,0.28538139949283803,0.2691385100404359,0.1353831128778014,0.0704715235419094,0.19009363648824618
EOS-3-47781,COc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4nccn4C)c(F)c3)n12,KLZJUXDZGTYKCB-UHFFFAOYSA-N,3,1,0.478,16,353,465.876,3.967,5,0.35,0.58,1.0,0.8067730107600576,0.7682218490850524,0.7145586320334453,0.620022616681516,0.7273940271400179
EOS-3-47782,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)c2)o1,MWPPVFFHISLMOW-UHFFFAOYSA-N,3,1,0.512,59,962,453.836,5.265,5,0.337,0.73,1.0,0.942927146871359,0.8787180453704339,0.9392519361250086,0.9267784935919402,0.9219189054896855
EOS-3-47783,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)c(F)c5)n34)c(F)c2)nn1,SPFIZDLZROYCJL-UHFFFAOYSA-N,3,1,0.325,3,192,467.439,5.157,6,0.354,0.67,1.0,0.3855287505996847,0.44238743060790897,0.8623295181961483,0.8516294291001302,0.635468782125968
EOS-3-47784,Cc1cnc(-c2cccc(-c3nnc4cncc(COCc5ccncc5)n34)c2)cn1,XNISWPZNXKMZQR-UHFFFAOYSA-N,3,1,0.457,14,351,409.453,3.669,5,0.423,0.77,1.0,0.22637242135563018,0.13411520800493454,0.49569940374203275,0.4204304023027894,0.3191543588513467
EOS-3-47785,Fc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)c1,TYDAIENUIFDNPG-UHFFFAOYSA-N,3,1,0.455,87,307,450.384,3.077,5,0.389,0.45,1.0,0.7199386608183127,0.7508738263313001,0.6667894592557055,0.6866133232814748,0.7060538174216983
EOS-3-47786,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)no1,NZQKSFCUAKEQQE-UHFFFAOYSA-N,3,1,0.43,92,728,410.785,1.597,5,0.42,0.71,1.0,0.32981803851689395,0.42019909533273936,0.02541806593105339,0.05328627235967377,0.20718036803509013
EOS-3-47787,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cn4)n23)cc1,NKKAXOTZVFBGTK-UHFFFAOYSA-N,3,1,0.337,69,737,444.473,5.721,6,0.348,0.78,0.992,0.27446713727640326,0.382658830786101,0.8265369063121102,0.8729867726680831,0.5891624117606744
EOS-3-47788,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c(C(F)(F)F)n1,MWCCNTGDGGEOST-UHFFFAOYSA-N,3,1,0.402,68,127,458.339,2.498,5,0.312,0.58,1.0,0.7559540127475841,0.7466417654718662,0.7171544102528956,0.5248440819683367,0.6861485676101706
EOS-3-47789,Fc1cc(-c2nnc3cncc(OCc4ccncc4-c4ccccc4)n23)ccc1C(F)F,JFZRXHVHXGTVHX-UHFFFAOYSA-N,3,1,0.518,1,962,447.42,5.509,5,0.344,0.76,1.0,0.965184017545062,0.9235915975601399,0.9778630662737304,0.9690391337125626,0.9589194537728736
EOS-3-47790,COc1cccc(CCOc2cncc3nnc(-c4cnc(OC)c(-c5ccc(F)cc5)c4)n23)c1,OXTHUYWPUOVPES-UHFFFAOYSA-N,3,1,0.622,91,955,471.492,4.631,5,0.326,0.69,1.0,0.9071431019121377,0.8891782605715852,0.7803183469261874,0.6403262284970187,0.8042414844767323
EOS-3-47791,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5cccnn5)c4)n23)cc1F,JKIHGDBQRJUZRY-UHFFFAOYSA-N,3,1,0.457,71,49,480.467,3.157,6,0.354,0.6,0.998,0.7617966554725516,0.6317079021314509,0.3890754574737852,0.35348845178534716,0.5340171167157837
EOS-3-47792,CCOc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnc5F)n34)cc(C)n2)cn1,VFTOBHOCDFXGRA-UHFFFAOYSA-N,3,1,0.455,65,661,472.484,3.506,5,0.313,0.61,1.0,0.6208536083887328,0.5693406894661093,0.35531320677129735,0.22869405798094716,0.44355039065177165
EOS-3-47793,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cnn2)ncc1F,AZFBTBAJCNEMPV-UHFFFAOYSA-N,3,1,0.495,27,69,483.389,3.479,5,0.346,0.71,1.0,0.8647453909944486,0.8759509286546501,0.8036546501267905,0.6373792063600849,0.7954325440339935
EOS-3-47794,CCc1nn(C)c(-c2nncn2C)c1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,DZDJLXYQLNAFFI-UHFFFAOYSA-N,3,1,0.297,98,890,466.513,2.345,6,0.379,0.54,1.0,0.03140634637790419,0.032014598039887605,0.010888561441984785,0.009920498937701323,0.021057501199369475
EOS-3-47795,CC#Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)s1,XCDVWHSRDDQWEN-UHFFFAOYSA-N,3,1,0.494,55,879,431.506,3.717,5,0.392,0.58,1.0,0.404915701459804,0.46880782674251253,0.18244123089575767,0.1383815365636351,0.29863657391542736
EOS-3-47796,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)ncn2)nc1,UKZIAJDEBIFDIE-UHFFFAOYSA-N,3,1,0.436,18,842,467.827,2.986,5,0.347,0.51,0.868,0.7986258652594065,0.6902885340278254,0.4507487492289768,0.5014820779932835,0.610286306627373
EOS-3-47797,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCCc3nccc(C(F)F)n3)n12,IMFLDKJKAKUFAO-UHFFFAOYSA-N,3,1,0.464,15,771,479.451,2.945,5,0.331,0.61,1.0,0.5172623535055856,0.3965629497635529,0.3182269892399424,0.1962682475498595,0.3570801350147351
EOS-3-47798,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)s5)n34)cc2)n[nH]1,BHHKAHMYFGVMGN-UHFFFAOYSA-N,3,1,0.319,38,154,413.426,3.355,6,0.467,0.59,1.0,0.1932098553903091,0.2488006305256665,0.16629257761633884,0.18823247207182509,0.19913388390103487
EOS-3-47799,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)cn2)nc(C)n1,RWFNPKMBAQIRKG-UHFFFAOYSA-N,3,1,0.521,65,265,476.903,4.069,5,0.361,0.61,1.0,0.8467462819546295,0.8891868274964019,0.4891200054828319,0.45827907614282776,0.6708330477691727
EOS-3-47800,Fc1cc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5nccs5)c4)n23)ccn1,KKTBHDIONKPUEW-UHFFFAOYSA-N,3,1,0.53,58,578,453.89,4.119,5,0.357,0.57,1.0,0.8278133781097937,0.8427712288396957,0.4992632444657666,0.5351072578987047,0.6762387773284901
EOS-3-47801,Cc1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1-c1ncccc1F,WKJWZTFSIUMWNQ-UHFFFAOYSA-N,3,1,0.451,57,616,431.858,5.747,5,0.362,0.78,1.0,0.834949626482078,0.8787266122952505,0.9104756356658213,0.9216040710026728,0.8864389863614557
EOS-3-47802,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)nc4C)n23)nn1,RIGLBQYIUKTHEH-UHFFFAOYSA-N,3,1,0.43,92,587,413.445,2.573,5,0.432,0.59,1.0,0.2666112672195189,0.14149133027208552,0.06138201631142485,0.03147488177643753,0.12523987389486668
EOS-3-47803,Cn1nccc1-c1ncc(-c2nnc3cncc(-c4ccc(-c5cccs5)nc4)n23)s1,HHPDVTYDNASMSZ-UHFFFAOYSA-N,3,1,0.288,70,191,442.533,4.439,6,0.401,0.54,1.0,0.03962202727708861,0.07165375916660956,0.14163696799396888,0.16895689123432253,0.1054674114179974
EOS-3-47805,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1nccs1,NQENLBITQIVSRE-UHFFFAOYSA-N,3,1,0.506,97,383,468.901,4.69,5,0.357,0.69,1.0,0.7618052223973683,0.742315468439449,0.6694537728736892,0.6168871221986156,0.6976153964772804
EOS-3-47806,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)n1,BASKQBNSMSTYLU-UHFFFAOYSA-N,3,1,0.367,22,649,407.8,2.836,5,0.453,0.75,1.0,0.3015557535467069,0.4688163936673292,0.4684394489753958,0.5957011171269961,0.458628178329107
EOS-3-47807,CC(F)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cncnc5)c4)n23)cn1,PCTVSUJHNWIHAB-UHFFFAOYSA-N,3,1,0.378,82,478,415.407,4.48,5,0.43,0.63,0.942,0.2558255088753341,0.4110581865533548,0.8883387019395518,0.8549105613049139,0.6025332396682886
EOS-3-47808,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncc(Cl)cn5)c4)n23)cc1Cl,NJLFYHLZKSLBFX-UHFFFAOYSA-N,3,1,0.688,84,491,482.306,4.711,5,0.346,0.76,1.0,0.9200620245356727,0.9163268453156055,0.8192036186690426,0.860093550818998,0.8789215098348296
EOS-3-47809,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5nccs5)c4)n23)ccc1-c1nncn1C,CNQXWKOKTDDGTK-UHFFFAOYSA-N,3,1,0.462,40,2,481.545,3.993,6,0.351,0.73,1.0,0.39447262010828593,0.25371804537043385,0.2451339867041327,0.1937153039544925,0.27175998903433624
EOS-3-47810,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)n(C)n2)nc1,IHFUNOFVYDJUBO-UHFFFAOYSA-N,3,1,0.464,31,569,413.445,2.307,5,0.417,0.62,1.0,0.23167534781714755,0.048882873003906514,0.04996230553080666,0.03914227948735522,0.09241570145980399
EOS-3-47811,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5F)cc4F)n23)cn1,UQIXLIHXGHNYHI-UHFFFAOYSA-N,3,1,0.4,83,405,417.394,5.246,5,0.403,0.73,1.0,0.3901548900006854,0.6411914879035021,0.9704783770817628,0.9733568638201631,0.7437954047015283
EOS-3-47812,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)o1,ZNUJWGYBFKGGBM-UHFFFAOYSA-N,3,1,0.511,59,439,454.824,4.66,5,0.357,0.6,1.0,0.8714789939003496,0.759415050373518,0.8894609690905353,0.8664844767322322,0.8467098725241587
EOS-3-47813,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)c5)cn4)n23)nn1,LRBMXBPNABTSTF-UHFFFAOYSA-N,3,1,0.404,27,679,484.829,4.29,5,0.364,0.73,1.0,0.6437529984236858,0.7508823932561168,0.8848947981632513,0.8443903776300459,0.7809801418682749
EOS-3-47814,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)cc2)c[nH]1,TVNOSYZQUHBMPC-UHFFFAOYSA-N,3,1,0.338,69,958,421.489,4.972,6,0.434,0.63,1.0,0.10040435885134671,0.1567233225961209,0.6805650743609074,0.6866218902062915,0.4060786615036666
EOS-3-47815,c1cncc(-c2ncc3ncc(-c4cncc5nnc(-c6nccnc6-c6cnccn6)n45)n3n2)c1,HFDVEBDJLWAQOK-UHFFFAOYSA-N,3,1,0.245,86,513,471.448,2.205,7,0.371,0.49,1.0,0.037960043862655064,0.07863580289219382,0.03735179220067165,0.0687924062778425,0.055685011308340755
EOS-3-47816,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc(Cl)n2)n1,ZGJIOXFABNTYAC-UHFFFAOYSA-N,3,1,0.671,59,13,468.826,4.898,5,0.341,0.68,1.0,0.9678483311630457,0.9512627647179769,0.9499006236721267,0.9547495031183606,0.9559403056678775
EOS-3-47817,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncn(C)n5)ncn4)n23)c(F)n1,SUZYWZJLJWEPRB-UHFFFAOYSA-N,3,1,0.452,7,185,418.396,1.798,5,0.393,0.56,1.0,0.40953327393598793,0.45998389418134467,0.08516379960249469,0.06358371598930848,0.25456617092728395
EOS-3-47818,Cc1cc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cc(F)n5)n34)c2)ccc1F,USOQUEVPBNAPOY-UHFFFAOYSA-N,3,1,0.511,57,80,461.447,5.201,5,0.325,0.75,1.0,0.9006579398259201,0.9011976560893702,0.9336920019189912,0.9277122883969571,0.9158149715578096
EOS-3-47819,Fc1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)c5)cs4)n23)cc1F,BFZBVMJDDCHRCW-UHFFFAOYSA-N,3,1,0.573,57,461,455.877,5.425,5,0.354,0.8,1.0,0.862646494414365,0.9447519018573093,0.8930676444383524,0.9277208553217737,0.9070467240079501
EOS-3-47820,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5cnc(C(F)F)s5)c4)n23)n1,GXVQBWKYOXLTIM-UHFFFAOYSA-N,3,1,0.518,27,43,457.491,4.591,5,0.368,0.65,1.0,0.4463282160235762,0.5461328901377561,0.2889709409910219,0.21967308614899594,0.3752762833253375
EOS-3-47821,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)nc1Br,VNXNLKNJYTZFOP-UHFFFAOYSA-N,3,1,0.435,51,199,480.261,2.914,5,0.35,0.63,1.0,0.6126036597902816,0.5943047083818792,0.2417500514015489,0.255003084092934,0.42591537591666095
EOS-3-47822,Cc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,ITPBRIPERAVUEA-UHFFFAOYSA-N,3,1,0.474,65,804,464.892,3.704,5,0.353,0.55,1.0,0.6955229250908094,0.6561407717085875,0.392613597423069,0.3825988623123843,0.5317190391337125
EOS-3-47823,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)c(-c2ccc(Cl)nc2)n1,VCPVJQQCPYKRJL-UHFFFAOYSA-N,3,1,0.282,42,957,477.919,4.729,6,0.335,0.72,0.994,0.24538242752381606,0.2846189431841546,0.5171766842574189,0.5581351518059078,0.4013283016928244
EOS-3-47824,Cc1ccc(-c2nnc3cncc(CCc4cc(F)c(-c5ccncn5)cn4)n23)nc1,DMPFCPIFLNIAHB-UHFFFAOYSA-N,3,1,0.357,85,580,412.432,3.271,5,0.437,0.6,1.0,0.362415187444315,0.36336611609896513,0.32910698375711056,0.3311116441642108,0.34649998286615036
EOS-3-47825,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cn(C)nc3C)n12,QZZXHIRNQHEDMK-UHFFFAOYSA-N,3,1,0.352,63,437,403.446,2.401,5,0.549,0.88,0.994,0.0957011171269961,0.026557466931670208,0.05925741895689123,0.04164382153382222,0.05578995613734494
EOS-3-47826,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)ccn1,DMNSCHKGPRYEEK-UHFFFAOYSA-N,3,1,0.582,75,583,413.416,3.404,5,0.394,0.66,1.0,0.8755825508875335,0.7553200603111507,0.5372318552532382,0.5014906449181002,0.6674062778425057
EOS-3-47827,Cc1nc(COc2cncc3nnc(-c4ccc(F)nc4)n23)cc(-c2nc(C(F)F)cn2C)n1,ATFRQJSXTOEFEA-UHFFFAOYSA-N,3,1,0.423,27,185,467.415,3.341,5,0.35,0.59,0.979,0.49453430196696596,0.5321773696114043,0.44721060927969297,0.3566924816667809,0.45765369063121103
EOS-3-47828,Fc1ccc(-c2nnc3cncc(Cc4cccc(Oc5ccc(Cl)cn5)c4)n23)c(F)c1,FDKMRWKSDQYVFH-UHFFFAOYSA-N,3,1,0.406,57,358,449.848,5.501,5,0.354,0.75,1.0,0.6743112192447399,0.8587913782468645,0.9480673017613598,0.9573452813378109,0.8596287951476937
EOS-3-47829,CCCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)nc1C,GUGPCYKTQYAOFM-UHFFFAOYSA-N,3,1,0.516,36,908,478.919,4.535,5,0.339,0.76,0.995,0.49216126379274894,0.47782023164964704,0.32550887533411005,0.39816496470426976,0.42341383387019393
EOS-3-47830,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)cnc5Cl)n34)cc2)cc1=O,MBCIPFDKGDHZML-UHFFFAOYSA-N,3,1,0.494,97,55,480.315,3.833,5,0.353,0.67,1.0,0.7586183263655678,0.6034713179357138,0.6777037214721403,0.7060431087656774,0.6864591186347749
EOS-3-47831,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3nc(Cl)cnc3F)n12,HQLNSJAVDWDFJO-UHFFFAOYSA-N,3,1,0.458,20,604,480.891,3.404,5,0.349,0.65,1.0,0.6775580837502571,0.5509646357343568,0.31447467617024194,0.2758378452470701,0.4547088102254815
EOS-3-47832,N#Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)ccc1F,QYNXYPYKLDWRBZ-UHFFFAOYSA-N,3,1,0.683,88,222,470.895,5.139,5,0.341,0.74,1.0,0.9278836268932904,0.9502947022136934,0.9504317730107601,0.9573538482626276,0.9464909875950929
EOS-3-47833,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cc2)co1,LWWPXYJDSMSOLW-UHFFFAOYSA-N,3,1,0.333,69,958,422.473,5.237,6,0.387,0.68,1.0,0.16537591666095539,0.23320026043451442,0.6914365019532589,0.6892862038242752,0.44482472071825097
EOS-3-47834,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)cc1,WWOFVLRHCYVLGG-UHFFFAOYSA-N,3,1,0.375,69,695,444.473,5.721,6,0.348,0.77,1.0,0.24818381193886643,0.420207662257556,0.8387447741758618,0.8713590569529162,0.5946238263313001
EOS-3-47836,Cc1ccnc(-c2nnc3cncc(-c4ccc5cn(ncn4)C4COCCCN(C4)C5=O)n23)c1,FKWVODPOJHAFDS-UHFFFAOYSA-N,3,1,0.252,63,686,469.509,2.295,6,0.439,0.5,1.0,0.030044205332054007,0.0014049756699335207,0.0032468645055170994,0.010297443629634707,0.011248372284284835
EOS-3-47837,O=C(c1ccc(-c2cncc3nnc(-c4ccc(F)cc4)n23)nc1F)N1CCC2CCCCC2C1,XOWOJIQSEUYWTQ-UHFFFAOYSA-N,3,1,0.375,0,701,474.515,4.784,6,0.399,0.63,0.83,0.14034336234665204,0.30002227400452336,0.01482077993283531,0.28748886299773835,0.18566881982043726
EOS-3-47838,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1F,GDQQQLZJFHXNKD-UHFFFAOYSA-N,3,1,0.518,16,89,471.83,4.237,5,0.357,0.62,1.0,0.9071516688369543,0.8703652936741827,0.8930762113631691,0.8881587965184018,0.8896879925981769
EOS-3-47839,CCOc1ccc(F)c(-c2nnc3cncc(-c4ccc(C(=O)NCc5cccc(F)c5)cn4)n23)c1,NHQRJXRLBDRFSO-UHFFFAOYSA-N,3,1,0.462,62,586,486.482,4.46,5,0.365,0.8,1.0,0.5751833321910766,0.5741810019875265,0.7711517373723529,0.689294770749092,0.652452710575012
EOS-3-47840,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)n23)cc1F,HVNNWYPFXUFVNL-UHFFFAOYSA-N,3,1,0.373,0,901,494.477,3.828,5,0.466,0.89,1.0,0.16798882873003906,0.17706120211089027,0.24514255362894935,0.3981735316290864,0.24709152902474127
EOS-3-47842,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,XJFOBZAIISLAJI-UHFFFAOYSA-N,3,1,0.578,35,352,464.863,4.801,5,0.336,0.67,1.0,0.9305136728120074,0.9617743814680282,0.9171492700980056,0.9236944006579398,0.9332829312589953
EOS-3-47843,Cc1ncc(-c2cccnc2)c(COc2cncc3nnc(-c4ccc(C(C)(C)O)nc4)n23)n1,TVACKHHZTXHJEO-UHFFFAOYSA-N,3,1,0.451,7,205,454.494,3.153,5,0.412,0.5,1.0,0.48228359947913096,0.3100969775889247,0.40005825508875337,0.18006819272154068,0.3431267562195874
EOS-3-47844,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)n1,WOVWDNMNQMHGFN-UHFFFAOYSA-N,3,1,0.537,57,347,415.403,4.711,5,0.389,0.76,1.0,0.7986344321842231,0.8587999451716811,0.8919025426632856,0.90032382975807,0.862415187444315
EOS-3-47845,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ccc(F)cn5)cn4)n23)cc1,HRENMNTVKZHGBP-UHFFFAOYSA-N,3,1,0.411,14,886,410.456,4.481,5,0.427,0.76,1.0,0.4624083339044617,0.5604567884312247,0.6350233020355014,0.6403347954218354,0.5745558049482558
EOS-3-47846,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ncon5)s4)n23)nc1,XOZDNDOASDZNFI-UHFFFAOYSA-N,3,1,0.384,51,924,412.822,2.925,5,0.429,0.62,1.0,0.3944811870331026,0.31530566787745873,0.07151668836954286,0.10923685833733124,0.22263510040435883
EOS-3-47848,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cc2)nc1,RZEBIYATMNTAFY-UHFFFAOYSA-N,3,1,0.338,69,818,432.512,5.644,6,0.36,0.77,1.0,0.08839353025837846,0.14510657254471934,0.7069940374203276,0.7276231923788636,0.4170293331505723
EOS-3-47849,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)nc2F)s1,DGPSXFQYAPRRAN-UHFFFAOYSA-N,3,1,0.389,46,564,472.868,3.919,5,0.354,0.62,0.999,0.6527140017819204,0.6034798848605305,0.4545096292234939,0.5151291892262353,0.556458176273045
EOS-3-47850,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)nc5)n34)cn2)cs1,AVUWXVPFPDEQRQ-UHFFFAOYSA-N,3,1,0.345,32,191,466.505,4.881,6,0.342,0.67,0.868,0.2072082105407443,0.3587485436227812,0.5028442190391337,0.4827033787951477,0.3878760879994517
EOS-3-47851,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)on2)nn1,DRAOBKZHPRGVDX-UHFFFAOYSA-N,3,1,0.511,36,134,410.344,2.432,5,0.435,0.69,1.0,0.507247618394901,0.6132376122267151,0.39262216434788566,0.4234802275375231,0.4841469056267562
EOS-3-47852,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5cccs5)sn4)n23)c1F,XJDRBHYRBOHBKK-UHFFFAOYSA-N,3,1,0.452,18,840,438.513,4.44,5,0.39,0.59,0.999,0.4486070180248098,0.34906791857994657,0.2962785278596395,0.30284079226920707,0.34919856418340073
EOS-3-47853,CCn1cc(-c2cnc(Cl)c(-c3nnc4cncc(-c5ccc(-c6nnco6)cn5)n34)c2)nn1,HSLJYQSXIWHHEX-UHFFFAOYSA-N,3,1,0.272,99,719,471.872,3.23,6,0.344,0.59,0.997,0.11036769241313138,0.24381468028236583,0.11834349941744911,0.15849667603317114,0.15775563703652937
EOS-3-47854,CCn1cc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccc2F)cn1,NWWBCNFTXNLZPU-UHFFFAOYSA-N,3,1,0.471,13,145,434.862,5.26,5,0.377,0.7,1.0,0.4533445274484271,0.6706959769721061,0.85016448495648,0.8649595641148653,0.7097911383729696
EOS-3-47855,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5nccc(C)n5)n34)cc(Cl)c2F)nc1,LYJVRILMXJHVPY-UHFFFAOYSA-N,3,1,0.484,65,795,476.903,4.069,5,0.361,0.59,1.0,0.8669128229730656,0.8730039065177164,0.3663816736344322,0.36969707353848263,0.6189988691659243
EOS-3-47856,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cncs5)cs4)n23)cn1,VVSQPTWIMFPWSC-UHFFFAOYSA-N,3,1,0.447,80,34,473.547,3.746,6,0.36,0.6,1.0,0.34405626756219587,0.33422143787266123,0.07812178740319375,0.06359228291412515,0.204997943938044
EOS-3-47857,Cc1cc(-c2cc(-c3cncc4nnc(-c5cnc(-c6ccccn6)cn5)n34)cnn2)cnn1,RDYRYMFXOIWPTG-UHFFFAOYSA-N,3,1,0.292,70,719,445.45,2.866,6,0.399,0.42,0.976,0.07524330066479337,0.045413268453156054,0.16317421698307175,0.1744482900418066,0.11456976903570695
EOS-3-47858,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cc(F)nc(F)c5)ncn4)n23)ccc1Cl,JBENMEJCIGMGFI-UHFFFAOYSA-N,3,1,0.462,4,675,465.851,4.462,5,0.354,0.61,1.0,0.8421544102528956,0.9181001987526557,0.8693201288465492,0.8565811116441642,0.8715389623740661
EOS-3-47859,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)ccc2Cl)nn1,DWUCNMSXHILBLK-UHFFFAOYSA-N,3,1,0.494,72,482,479.331,4.275,5,0.356,0.62,1.0,0.8537454595298472,0.935139812213008,0.45785929682681104,0.5513929819751902,0.6995343876362141
EOS-3-47860,COc1cc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,JYENAVLWFMUQDR-UHFFFAOYSA-N,3,1,0.479,15,771,473.924,4.235,5,0.324,0.68,0.997,0.6266020149407169,0.5794068261256939,0.464772805153862,0.3762250702487835,0.511751679117264
EOS-3-47861,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCc3cscc3Cl)n12,AJHHNQXVULSONK-UHFFFAOYSA-N,3,1,0.494,97,772,443.916,5.348,5,0.366,0.74,1.0,0.839952710575012,0.8495133986704133,0.8338616270303612,0.8601021177438147,0.8458574635049002
EOS-3-47862,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cccc(F)c3)n12,INPWLVDSCCTQDJ-UHFFFAOYSA-N,3,1,0.371,0,999,403.417,3.498,5,0.552,0.92,1.0,0.4322441916249743,0.38725070248783494,0.4253306832979234,0.47071825097662945,0.4288859570968405
EOS-3-47863,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cc1,GJRXEVXKZGWBBG-UHFFFAOYSA-N,3,1,0.324,3,158,408.385,2.484,6,0.432,0.74,1.0,0.056610239188540884,0.06791001302172572,0.08248235213487766,0.12093927763689946,0.08198547049551094
EOS-3-47864,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccnc(C)n1,PUMDCSSSCNJNAW-UHFFFAOYSA-N,3,1,0.406,31,690,463.954,4.808,5,0.357,0.66,0.896,0.46011239805359466,0.5693492563909259,0.2380834075800151,0.23146117469673086,0.3747515591803166
EOS-3-47865,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ncccn1,LVGWXFUPBXKORB-UHFFFAOYSA-N,3,1,0.558,35,325,465.851,4.196,5,0.347,0.57,1.0,0.9688763621410459,0.9681910081557125,0.805599342060174,0.8125728188609417,0.8888098828044685
EOS-3-47866,Fc1cc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)n2)ccn1,OSKQJJJEWBVJOP-UHFFFAOYSA-N,3,1,0.354,3,991,468.883,4.894,6,0.342,0.64,1.0,0.03507299019943801,0.31010554451374134,0.7569477760263176,0.8426170241929957,0.4861858337331232
EOS-3-47867,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)s2)ncn1,JISWFVOOTKTEJS-UHFFFAOYSA-N,3,1,0.31,38,126,439.529,5.1,6,0.38,0.61,1.0,0.10791755191556439,0.2081677061202111,0.46478137207867865,0.47377664313617984,0.31366081831265846
EOS-3-47868,Fc1ccc(-c2nnccc2-c2nnc3cncc(-c4ccc(-c5nnco5)s4)n23)cc1,NKCUHIKLPOAIBH-UHFFFAOYSA-N,3,1,0.355,76,653,442.439,4.166,6,0.4,0.5,0.999,0.31212733877047494,0.5321859365362209,0.37413474059351653,0.467685559591529,0.42153339387293537
EOS-3-47869,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ccc(F)nc5)cn4)n23)cc1,KEYHDQSJFLXBCK-UHFFFAOYSA-N,3,1,0.42,14,886,410.456,4.481,5,0.4,0.83,1.0,0.4279521622918237,0.5321945034610376,0.6939466109245426,0.6807021451579741,0.5836988554588445
EOS-3-47870,COc1nccnc1-c1nnc2cncc(OCc3cc(-c4cnn(C)c4)cnn3)n12,RWJATSAQHBLPLQ-UHFFFAOYSA-N,3,1,0.358,92,182,416.405,1.359,5,0.4,0.56,0.998,0.1351689397573847,0.01813617983688575,0.04997087245562333,0.021554382838736206,0.056207593722157494
EOS-3-47871,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cc6F)nc5)n34)nc2)n(C)n1,APXMEVQDLPRELS-UHFFFAOYSA-N,3,1,0.346,42,572,481.47,4.297,6,0.37,0.65,1.0,0.2099153587828113,0.3683863340415324,0.5930025358097457,0.5866201768213282,0.43948110136385443
EOS-3-47872,CCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cnc(C)nc1,XNTPOOOYKWDWHK-UHFFFAOYSA-N,3,1,0.429,18,578,472.94,4.184,5,0.325,0.66,1.0,0.5751918991158934,0.6268247549859502,0.30704715235419094,0.2725995476663697,0.44541583853060107
EOS-3-47873,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)c(F)cn1,TYJUTSZVFRUREQ-UHFFFAOYSA-N,3,1,0.432,18,194,466.839,3.591,5,0.35,0.53,0.875,0.8120673702967582,0.7097868549105613,0.7224916044136797,0.7435148379137825,0.7469651668836954
EOS-3-47874,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cnn2)ccn1,DVBQZAAXBDMKIX-UHFFFAOYSA-N,3,1,0.396,46,915,434.822,3.41,5,0.387,0.46,0.999,0.7320951271331643,0.7807980947159208,0.6206051675690494,0.6571688026865876,0.6976667980261806
EOS-3-47875,COc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,KYHOOVSJVGCVBY-UHFFFAOYSA-N,3,1,0.522,35,265,477.887,4.066,5,0.346,0.63,1.0,0.8691316565005826,0.7636642450825851,0.72508738263313,0.6747566993352067,0.7581599958878761
EOS-3-47876,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5ccc(Cl)nc5)c4F)n23)n(C)n1,ZQIMAWURFCOSFE-UHFFFAOYSA-N,3,1,0.44,4,554,467.867,4.406,5,0.356,0.64,1.0,0.5022102666027003,0.6659156329244055,0.7868891782605716,0.7812007401823041,0.6840539544924954
EOS-3-47877,Clc1cncc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)c5)ns4)n23)c1,DPYYVXBTTJPDHI-UHFFFAOYSA-N,3,1,0.429,55,879,456.318,4.591,5,0.357,0.65,1.0,0.5379686107874717,0.5794153930505106,0.5834761154136111,0.6922760605852923,0.5982840449592215
EOS-3-47878,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cc2)nn1,ZCZUYOAVOVIKIP-UHFFFAOYSA-N,3,1,0.361,69,220,461.916,5.631,6,0.338,0.79,1.0,0.21520115139469537,0.3153142348022754,0.7591923103282846,0.8187667055033925,0.527118600507162
EOS-3-47879,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cnn2)ccn1,UDBODYXROWTBPV-UHFFFAOYSA-N,3,1,0.455,65,778,448.849,3.452,5,0.364,0.48,1.0,0.7789562058803372,0.809574395175108,0.6176667123569324,0.6602528956205881,0.7166125522582414
EOS-3-47880,COc1ncccc1CCOc1cncc2nnc(-c3cnc(Cl)c(-c4cnc(C)cn4)c3)n12,DLHAMMRKAOTWIM-UHFFFAOYSA-N,3,1,0.48,65,552,474.912,3.63,5,0.326,0.64,1.0,0.6622061544787883,0.695094578849976,0.2853214310191214,0.21427592351449523,0.46422452196559527
EOS-3-47881,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)nc2)nc1,WMBSEOBJVSHPHI-UHFFFAOYSA-N,3,1,0.33,69,174,416.444,5.175,6,0.394,0.78,1.0,0.08160852580357755,0.06791857994654239,0.7045267630731272,0.7276317593036804,0.3954214070317319
EOS-3-47882,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)cc4F)n23)cn1,SPTGUVGGVHTKDV-UHFFFAOYSA-N,3,1,0.321,82,204,486.898,3.995,6,0.374,0.74,0.999,0.2911383729696388,0.34429614145706255,0.33996984442464534,0.46443869508601193,0.35996076348433964
EOS-3-47883,Fc1cnc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)c(C(F)F)c1,XQKVOAZTZOVBGB-UHFFFAOYSA-N,3,1,0.312,83,472,417.394,5.597,5,0.382,0.86,1.0,0.33703995613734494,0.5232420670276198,0.9639332465218285,0.9695788499760126,0.6984485299157015
EOS-3-47884,Clc1ccc(-c2cnccc2-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cn1,FICFAVRPBDKMMO-UHFFFAOYSA-N,3,1,0.46,4,208,451.277,3.924,5,0.371,0.52,1.0,0.5534918785552738,0.584666917963128,0.5962408333904462,0.6747652662600233,0.6022912240422178
EOS-3-47885,Fc1cccc(-c2ccccc2COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,NXDISJIPTCLXQN-UHFFFAOYSA-N,3,1,0.662,83,23,430.87,5.83,5,0.352,0.87,1.0,0.9878606675347817,0.9940545541772325,0.9619971215132616,0.97467617024193,0.9796471283668015
EOS-3-47886,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cn4)n23)c1Cl,DRYZXLJDPVYLFZ-UHFFFAOYSA-N,3,1,0.412,47,773,472.271,3.434,5,0.374,0.54,1.0,0.7499828661503667,0.7594236172983346,0.4957079706668494,0.6015437598519635,0.6516645534918786
EOS-3-47887,Fc1ccc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cn1,CTCUNBYDHFDENE-UHFFFAOYSA-N,3,1,0.386,85,580,447.424,4.505,5,0.357,0.56,0.423,0.43441162360359126,0.6034884517853472,0.8501730518812967,0.807869577136591,0.6739856761017066
EOS-3-47888,Fc1cc(Cl)ccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cn1,FAKXNUSZPYIHTM-UHFFFAOYSA-N,3,1,0.333,3,150,467.895,5.499,6,0.342,0.76,1.0,0.042474813241038994,0.3342300047974779,0.9095932424097046,0.9343173874306079,0.5551538619697074
EOS-3-47889,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)[nH]c1F,CFSKGCIRUJLWJZ-UHFFFAOYSA-N,3,1,0.556,87,579,416.42,3.04,5,0.453,0.57,0.999,0.6011239805359468,0.6317164690562675,0.24175861832636555,0.2080906037968611,0.4206724179288603
EOS-3-47890,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3nnn(-c4nncs4)c3C)n12,PIHXKUDITBJTNH-UHFFFAOYSA-N,3,1,0.302,99,765,472.498,2.003,6,0.366,0.58,1.0,0.03796861078747173,0.06025974916044137,0.009003837982317867,0.005679871153450758,0.02822801727092043
EOS-3-47891,Fc1cccc(-c2cnnc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)n1,UFGFJAZTLLXERY-UHFFFAOYSA-N,3,1,0.366,45,730,421.798,4.242,5,0.405,0.55,0.999,0.3465235419093962,0.6611524227263381,0.8679665547255158,0.9193852374751559,0.6987569392091015
EOS-3-47892,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(=NCC(F)F)[nH]c4)n23)cn1,DVVAAKLLISWQLC-UHFFFAOYSA-N,3,1,0.265,50,542,434.414,2.143,5,0.453,0.5,0.211,0.08840209718319512,0.06026831608525804,0.3330563360975944,0.27260811459118633,0.18858371598930845
EOS-3-47893,Fc1ccc(Cl)cc1-c1cncc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,KKQPIDXRDJQIIF-UHFFFAOYSA-N,3,1,0.523,59,137,467.291,5.273,5,0.328,0.79,1.0,0.7044496607497772,0.8058649167294908,0.9229062435748064,0.9481872387087931,0.8453520149407169
EOS-3-47894,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)c(F)c4)n23)c(F)c1,NEULOAMXWIKBOZ-UHFFFAOYSA-N,3,1,0.31,3,615,485.433,4.128,6,0.37,0.71,1.0,0.34653210883421287,0.46882496059214585,0.7868977451853882,0.8207370982112261,0.6057479782057433
EOS-3-47895,COCc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n(C)n1,MTHFJXWACFLAFP-UHFFFAOYSA-N,3,1,0.32,63,792,404.434,1.625,5,0.52,0.87,1.0,0.10792611884038106,0.03202316496470427,0.006296689740250839,0.006279555890617504,0.038131382358988414
EOS-3-47896,Fc1cnc(-c2cc(-c3cncc4nnc(-c5nc(OC(F)F)c(F)cc5F)n34)cnn2)nc1,QZBXIIWGGHCBNI-UHFFFAOYSA-N,3,1,0.275,50,775,473.325,3.119,5,0.355,0.56,0.756,0.5956582825029128,0.709795421835378,0.730244671372764,0.7384346514974984,0.6935332568021383
EOS-3-47897,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnc(F)cc4F)n23)nn1C,CECMEULMSWOJQQ-UHFFFAOYSA-N,3,1,0.392,31,569,451.441,2.703,5,0.351,0.51,0.999,0.30947159207730796,0.18968884929065863,0.27421869645671987,0.25187615653485024,0.25631382358988414
EOS-3-47898,Cc1nc(-c2cnnc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)n(C)c1Cl,WFXUBJLQBSCRDS-UHFFFAOYSA-N,3,1,0.426,31,466,465.88,3.099,5,0.352,0.55,1.0,0.5072561853197176,0.5185730930025358,0.23104139538071414,0.272616681516003,0.3823718388047427
EOS-3-47899,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(F)ncc5F)c4)n23)c(F)c1,BRKOOPCFFUSCKE-UHFFFAOYSA-N,3,1,0.495,59,89,452.371,4.384,5,0.291,0.7,1.0,0.9253306832979233,0.9236001644849565,0.9677026934411623,0.9650555136728121,0.9454222637242136
EOS-3-47900,Fc1cnc(F)c(Cl)c1COc1cncc2nnc(-c3cccc(-c4nccs4)c3)n12,SXLZAVOBMBNOPH-UHFFFAOYSA-N,3,1,0.472,97,666,456.865,4.82,5,0.353,0.68,1.0,0.7677592351449524,0.7723596737715029,0.8387533411006785,0.8480570214515798,0.8067323178671784
EOS-3-47901,Clc1ccc(-c2cnnc(-c3nnc4cncc(Cc5cc6cccnc6nn5)n34)c2)s1,OHJJLRRIGKNYDH-UHFFFAOYSA-N,3,1,0.28,53,60,457.91,3.892,6,0.392,0.5,0.942,0.15970461243232129,0.2488091974504832,0.21327359331094511,0.359990747721198,0.2454445377287369
EOS-3-47902,Cc1nc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)n5)n34)s2)no1,KVSXUYIIVVDXRO-UHFFFAOYSA-N,3,1,0.275,76,114,457.454,3.869,6,0.363,0.54,0.912,0.22344253306832979,0.32048865739154275,0.08012644781029402,0.12094784456171613,0.18625137070797065
EOS-3-47903,c1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nnco6)c5)n34)cn2)no1,BSULQPPCEZFQFI-UHFFFAOYSA-N,3,1,0.286,86,719,411.345,1.743,6,0.414,0.63,0.991,0.19880405729559317,0.11683572064971558,0.05741553012130766,0.06696765129189226,0.11000573983962716
EOS-3-47904,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ncc(F)cn1,YJGUPFVSZGPDDJ-UHFFFAOYSA-N,3,1,0.398,13,971,465.851,4.93,5,0.363,0.63,1.0,0.6497327119457199,0.7280515386196971,0.6235778904804331,0.6837262696182578,0.6712721026660269
EOS-3-47905,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnnc7ccccc67)cc5)n34)cn2)cn1,NNOUGXSENTVULF-UHFFFAOYSA-N,3,1,0.277,9,465,482.511,4.259,7,0.366,0.7,1.0,0.05833219107669111,0.10432801041738057,0.46844801590021246,0.4737852100609965,0.27622335686382016
EOS-3-47906,COc1nc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1cscn1,RZBRAWGWQFKWEG-UHFFFAOYSA-N,3,1,0.404,49,501,469.889,4.085,5,0.343,0.62,0.999,0.6805565074360908,0.5846754848879446,0.5203121787403193,0.4613888698512782,0.5617332602289082
EOS-3-47907,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(Cl)c4)n23)cc1F,FQOXEGLPUKZTTG-UHFFFAOYSA-N,3,1,0.59,59,16,470.842,4.842,5,0.367,0.64,1.0,0.917320608594339,0.9303252004660407,0.9412223288328422,0.9467736961140429,0.9339104585018161
EOS-3-47908,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)cc5)n34)ccn2)cn1,LXJUPPOCTBPCAN-UHFFFAOYSA-N,3,1,0.375,69,774,463.932,5.574,6,0.341,0.8,1.0,0.1433332191076691,0.2793759851963539,0.8466777465560962,0.8713676238777328,0.5351886436844631
EOS-3-47910,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)cc1-c1ncc(F)cn1,WHHUBPQKVYTARA-UHFFFAOYSA-N,3,1,0.447,31,263,469.843,2.93,5,0.349,0.54,0.999,0.502218833527517,0.43375197039270785,0.339978411349462,0.4040333082036872,0.41999563086834346
EOS-3-47911,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)c(F)n1,IUVPGORDMCPXIJ-UHFFFAOYSA-N,3,1,0.435,7,535,415.392,2.46,5,0.399,0.59,1.0,0.6208621753135495,0.6412000548283189,0.28897950791583854,0.23146974162154754,0.4456278699198136
EOS-3-47912,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cscn5)c(F)n4)n23)cc1Cl,AFKSLTPTWCXHQC-UHFFFAOYSA-N,3,1,0.518,13,573,442.838,5.034,5,0.363,0.66,1.0,0.793091631827839,0.7892622164347886,0.8650366664382153,0.8936159276266191,0.8352516105818655
EOS-3-47913,Cn1ncc(-c2cncc3nnc(-c4cccnc4-c4cccs4)n23)c1-c1ccc(F)cc1,DFDGVVAXEIURNA-UHFFFAOYSA-N,3,1,0.35,32,693,453.506,5.121,6,0.37,0.66,1.0,0.15722020423548763,0.3537111918305805,0.5474864642587897,0.6226612295250497,0.4202697724624769
EOS-3-47914,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)n1,UVPMHAQJQTVAJR-UHFFFAOYSA-N,3,1,0.442,44,531,478.343,4.88,5,0.321,0.78,1.0,0.7586268932903845,0.7508909601809335,0.5203207456651361,0.6282811322047838,0.6645299328353095
EOS-3-47915,FC(F)(F)c1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)cn2)nn1,HSYGIGYKUAEPIG-UHFFFAOYSA-N,3,1,0.357,86,443,487.409,3.509,6,0.396,0.72,0.921,0.18478856829552465,0.304982523473374,0.6939551778493592,0.5644232746213419,0.43703738605989995
EOS-3-47916,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COCc4ccc(-c5ccccn5)s4)n23)cc1,HEZSKTPJBQTROR-UHFFFAOYSA-N,3,1,0.422,52,916,482.569,4.524,6,0.349,0.75,1.0,0.240070934137482,0.11109588102254815,0.20979542183537797,0.2314783085463642,0.1981101363854431
EOS-3-47917,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cncc(-c4ncccn4)c3)n12,WNGVXBXJTJAIOJ-UHFFFAOYSA-N,3,1,0.488,65,349,413.445,2.307,5,0.417,0.62,1.0,0.28538996641765474,0.14511513946953603,0.07152525529435953,0.050724761839490096,0.1381887807552601
EOS-3-47918,Cc1cc(F)ncc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,JEUNTPHVEBXJDW-UHFFFAOYSA-N,3,1,0.506,2,76,461.888,4.366,5,0.347,0.6,1.0,0.8325423206085943,0.8289956137344938,0.7780224110753204,0.7565108628606675,0.799017802069769
EOS-3-47919,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5nc(C(F)(F)F)cs5)ns4)n23)cc1,IXGZRTIFQNKUSV-UHFFFAOYSA-N,3,1,0.494,27,51,475.481,4.673,5,0.365,0.73,1.0,0.6805650743609074,0.7144301281611952,0.5098433966143513,0.4140223425399219,0.579715235419094
EOS-3-47920,Cc1cc(-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5)cn4)n23)c(Cl)c(C)n1,DPKJIDNKSPVRGF-UHFFFAOYSA-N,3,1,0.311,22,844,436.306,4.963,5,0.4,0.59,1.0,0.061878897950791587,0.17706976903570695,0.6914450688780756,0.7812093071071208,0.4279007607429237
EOS-3-47921,Cc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1,FXYWYHGWXQUMEY-UHFFFAOYSA-N,3,1,0.538,35,393,409.453,3.573,5,0.423,0.74,1.0,0.6181293262970324,0.4290915632924405,0.4719004866013296,0.40127475841272015,0.4800990336508807
EOS-3-47922,COc1cc(C(F)(F)F)cnc1-c1ccc(-c2nnc3cncc(Cl)n23)nc1,AJRLXAFFWMLPDV-UHFFFAOYSA-N,3,1,0.459,68,861,406.755,3.929,4,0.513,0.74,0.951,0.532931258995271,0.5943132753066959,0.9730398876019464,0.9377612912069083,0.7595114282777053
EOS-3-47923,Fc1cnc(F)c(F)c1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,QCXVWPIUBPNYJR-UHFFFAOYSA-N,3,1,0.548,11,201,454.437,4.349,5,0.355,0.57,1.0,0.9472448769789596,0.9272582413816737,0.8284644643958604,0.8078781440614077,0.8777114317044754
EOS-3-47925,Cc1cnc(-c2cccc(-c3nnc4cncc(Oc5cc(C)nc(C)c5)n34)c2)cn1,WCOUCAIHLDHEKX-UHFFFAOYSA-N,3,1,0.458,15,506,409.453,4.361,5,0.435,0.79,1.0,0.477511822356247,0.2332088273593311,0.4399801247344253,0.29973099856075663,0.36260794325269
EOS-3-47926,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccoc6)n5)n34)nc2)nc1,QTGZHXYCAOMTIY-UHFFFAOYSA-N,3,1,0.33,32,687,417.432,4.57,6,0.415,0.64,1.0,0.07944966074977726,0.07166232609142623,0.47190905352614626,0.4917757521759989,0.27869919813583716
EOS-3-47927,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccnnc5)c4)n23)c(F)cn1,MDYAYTGKSLGUJH-UHFFFAOYSA-N,3,1,0.466,55,183,418.367,2.896,5,0.402,0.54,1.0,0.7409190596943321,0.6317250359810842,0.7329689534644644,0.6866304571311083,0.6980608765677472
EOS-3-47928,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2Cl)n1C,OXBITAFTXWZHLQ-UHFFFAOYSA-N,3,1,0.583,37,669,481.347,4.219,5,0.335,0.73,1.0,0.7012713316427935,0.8393101912137619,0.37414330751833325,0.4707268179014461,0.5963629120690837
EOS-3-47929,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5nccnc5C)n34)c(Cl)n2)s1,UMNPQQOBUQSKFI-UHFFFAOYSA-N,3,1,0.483,31,24,465.93,3.387,5,0.348,0.58,0.922,0.5329398259200877,0.6412086217531355,0.022411075320402988,0.032520046604071005,0.30726989239942426
EOS-3-47930,Cc1cc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnn(C)c5)c4)n23)ccc1Cl,MGMLIRGUXNINOT-UHFFFAOYSA-N,3,1,0.367,14,358,449.345,5.398,5,0.369,0.73,1.0,0.3067558769104242,0.42021622918237267,0.9171578370228223,0.9325868686176411,0.6441792029333151
EOS-3-47931,COc1cc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5nnn(C)n5)n4)n23)n(C)n1,DCWIQCYILPKALQ-UHFFFAOYSA-N,3,1,0.289,99,14,466.469,1.848,6,0.37,0.5,0.884,0.10793468576519773,0.09800561990267974,0.017887739017202385,0.00992906586251799,0.05843927763689946
EOS-3-47932,Cn1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)c2)n1,SEKDPPVLLLXACU-UHFFFAOYSA-N,3,1,0.473,6,843,481.455,2.552,6,0.349,0.62,1.0,0.5700003426769926,0.5414039476389555,0.2666626687684189,0.2518847234596669,0.4074879206360084
EOS-3-47933,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)c1F,JINOIJOFSVWIFS-UHFFFAOYSA-N,3,1,0.553,35,352,449.486,5.123,5,0.36,0.67,1.0,0.8813395243643342,0.8703738605989993,0.8434651497498458,0.8207456651360427,0.8539810499623055
EOS-3-47934,Fc1ccc(Cl)cc1-c1cccc(-c2nnc3cncc(OCc4ccns4)n23)c1,GKVCUWJVNKWSQU-UHFFFAOYSA-N,3,1,0.537,57,962,437.887,5.286,5,0.374,0.7,1.0,0.7439688849290659,0.8058734836543074,0.8734322527585497,0.9071945034610376,0.8326172812007402
EOS-3-47935,Cc1cnc(COc2cncc3nnc(-c4cc(F)cc(-c5cccc(F)n5)c4)n23)cn1,MGRSFRYFRKTIDL-UHFFFAOYSA-N,3,1,0.529,4,439,431.406,3.809,5,0.391,0.49,1.0,0.5642091015009252,0.5414125145637722,0.6831180179562745,0.6461260365979028,0.6087164176547186
EOS-3-47936,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5sccc5Cl)ccn4)n23)nc1,RANFMSYEFYTZFT-UHFFFAOYSA-N,3,1,0.287,70,652,471.937,4.426,6,0.375,0.59,0.998,0.1240405044205332,0.23321739428414776,0.3144832430950586,0.41403090946473853,0.2714430128161195
EOS-3-47937,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nc1,ASZBQHJVUHWWCW-UHFFFAOYSA-N,3,1,0.488,18,873,410.441,2.968,5,0.421,0.67,1.0,0.5483774244397231,0.2587810979370845,0.2742272633815366,0.23427969296141457,0.3289163696799397
EOS-3-47938,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5cn(C6CCC6)nc5C)n34)cc2)o1,QNWKUSUDITXIQZ-UHFFFAOYSA-N,3,1,0.299,52,336,412.457,4.047,6,0.439,0.71,1.0,0.07334144335549311,0.07864436981701049,0.013561441984785141,0.03782297306558838,0.05084255705571928
EOS-3-47939,OCc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)nc2F)s1,OHPZWSACHBQJRK-UHFFFAOYSA-N,3,1,0.388,46,223,472.412,2.588,5,0.371,0.63,0.97,0.5808717702693441,0.5461414570625728,0.37801555753546706,0.4107583441847714,0.4789467822630389
EOS-3-47940,NC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)cc(F)c(F)c4F)n23)cc1,KLEQHJVNFKLVLB-UHFFFAOYSA-N,3,1,0.598,23,17,417.322,3.026,4,0.306,0.7,1.0,0.9348228359947913,0.6462973750942361,0.9517425125077102,0.9183657734219725,0.8628071242546775
EOS-3-47941,CCOc1ccccc1-c1cncc2nnc(-c3ccc(-c4ccc(C)nn4)nc3)n12,DUAPEDOKUIWDNY-UHFFFAOYSA-N,3,1,0.417,96,336,409.453,4.017,5,0.433,0.74,0.675,0.20149407168802685,0.11684428757453225,0.3627835652114317,0.29070145980398876,0.24295584606949489
EOS-3-47942,COCC12CCCC1N(C(=O)c1ccc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)cn1)C2,SRGYIVWMHOKWBI-UHFFFAOYSA-N,3,1,0.274,78,169,475.94,3.543,6,0.435,0.62,0.997,0.13783325337536836,0.1854653553560414,0.010897128366801453,0.18280960866287438,0.1292513364402714
EOS-3-47943,Cc1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nn1,XJOUNMVSQRKAPM-UHFFFAOYSA-N,3,1,0.429,63,108,402.418,1.756,5,0.518,0.92,1.0,0.23168391474196423,0.08561784661777808,0.018667329175519155,0.01704818038516894,0.0882543177301076
EOS-3-47944,Fc1ccc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cc1-c1ncc(Cl)cn1,NIRWOVJLNKUTSO-UHFFFAOYSA-N,3,1,0.518,73,82,483.294,4.106,5,0.356,0.67,1.0,0.9490953327393599,0.9572767459392776,0.567438832156809,0.6632598862312384,0.7842676992666713
EOS-3-47945,Cc1ccc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5c(F)cccc5F)n34)c2)nn1,NESNQMBNIJBUME-UHFFFAOYSA-N,3,1,0.298,64,27,478.466,4.959,6,0.353,0.71,1.0,0.2481923788636831,0.31532280172709204,0.6529624426016037,0.7118343499417449,0.48207799328353096
EOS-3-47946,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)cc1Cl,OZFPZPUYSUCVGU-UHFFFAOYSA-N,3,1,0.346,42,171,483.898,4.503,6,0.364,0.72,0.999,0.17904016174354054,0.3730296072921664,0.7432578301692825,0.7904273182098553,0.5214387293537113
EOS-3-47947,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)ncn2)ccn1,RYHSRZBVSIPVJP-UHFFFAOYSA-N,3,1,0.394,18,194,454.878,3.514,5,0.359,0.56,0.976,0.5280138441505038,0.5414210814885888,0.28532999794393804,0.37309814269069974,0.43196576656843266
EOS-3-47948,CCc1nc(-c2nnc3cncc(OCc4cccc(CSC)n4)n23)ccc1-c1ncccn1,NHSUNDQGZPBMNB-UHFFFAOYSA-N,3,1,0.396,49,690,470.562,4.043,5,0.332,0.62,1.0,0.334666917963128,0.18547392228085807,0.06952059488725927,0.04806044822150641,0.15943047083818793
EOS-3-47949,Fc1cncc(CCOc2cncc3nnc(-c4cnnc(-c5ccsc5)c4)n23)c1F,QGPBYZDZEJYCRR-UHFFFAOYSA-N,3,1,0.489,65,778,437.435,3.605,5,0.401,0.47,0.999,0.7259697758892468,0.6412171886779522,0.635031868960318,0.6430847782879857,0.6613259029538757
EOS-3-47950,CCc1cnc(-c2cncc3nnc(-c4cccnc4-c4ncc(C)nn4)n23)nc1C,IBWYYGJIDAABJR-UHFFFAOYSA-N,3,1,0.267,50,489,410.445,2.675,5,0.44,0.65,0.997,0.05834075800150778,0.06792714687135906,0.012507710232335,0.008926735658967858,0.03692558769104243
EOS-3-47952,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cc2)co1,YBMSOIAKZVIBDQ-UHFFFAOYSA-N,3,1,0.314,32,174,422.473,5.237,6,0.387,0.71,1.0,0.11607326434103214,0.15673188952093756,0.6382958673154684,0.6602614625454047,0.3928406209307107
EOS-3-47953,Cn1ccc(-c2nc(COc3cncc4nnc(-c5cccc(-c6nccn6C)c5)n34)ccc2F)n1,PZVRUTABOWCELN-UHFFFAOYSA-N,3,1,0.479,81,247,481.495,3.705,6,0.357,0.64,1.0,0.38323281474881776,0.4202247961071894,0.3741518744431499,0.30942875745322457,0.37175956068809546
EOS-3-47954,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5cncs5)cs4)n23)cc1Cl,BHUREAORVPJZLL-UHFFFAOYSA-N,3,1,0.568,4,436,461.359,5.257,5,0.356,0.73,1.0,0.665204578164622,0.8588085120964979,0.5706514289630594,0.6951031457747927,0.697441916249743
EOS-3-47955,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(CF)c4)n23)ccc1-c1nccs1,IZFFCSOLHNSZBS-UHFFFAOYSA-N,3,1,0.457,49,703,466.473,4.506,5,0.349,0.63,0.999,0.7044582276745939,0.5943218422315126,0.5962494003152629,0.4858217394284148,0.5952128024124461
EOS-3-47956,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(Cl)c4)n23)s1,JIJKMDBEJJXJBH-UHFFFAOYSA-N,3,1,0.541,4,554,455.33,5.196,5,0.363,0.69,1.0,0.8146117469673086,0.8526231923788636,0.8077325063395243,0.8532999794393804,0.8320668562812693
EOS-3-47957,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)n1,QJNDBPWWJCEFAZ-UHFFFAOYSA-N,3,1,0.671,90,281,407.236,3.592,4,0.506,0.75,1.0,0.8067815776848742,0.8588170790213145,0.6694623397985059,0.797220889589473,0.7830704715235419
EOS-3-47958,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cc(-c4ncc(Cl)cn4)ccn3)n12,OZJAXWDJAMPHKD-UHFFFAOYSA-N,3,1,0.412,18,949,483.294,4.106,5,0.356,0.69,1.0,0.7819117949420876,0.7188592282914125,0.5337194160784045,0.640343362346652,0.6687084504146391
EOS-3-47960,Cn1ncc(-c2cccc(COc3cncc4nnc(-c5ccc(C#N)cc5)n34)n2)n1,FFHPHOXDRSUYLL-UHFFFAOYSA-N,3,1,0.53,89,926,409.413,2.432,5,0.434,0.68,0.984,0.5838273593310945,0.5139298197519019,0.33998697827427865,0.2997395654855733,0.4343709307107121
EOS-3-47961,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ncco5)cn4)n23)ccc1-c1cccnc1,MCMPTPRCYFKCTP-UHFFFAOYSA-N,3,1,0.61,41,592,465.448,4.621,6,0.351,0.62,1.0,0.7075937221574944,0.6223613871564663,0.7094527448427113,0.6632684531560551,0.6756690768281817
EOS-3-47962,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NCC(F)F)cc5)n34)nc2)cn1,UPXWYRRUNSHDOO-UHFFFAOYSA-N,3,1,0.38,89,310,488.458,3.739,5,0.368,0.81,1.0,0.6527225687067371,0.36839490096634914,0.5834846823384278,0.38912685902268523,0.4984322527585498
EOS-3-47963,Cc1csc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)n2)n1,ULFKXJFBXMQGPV-UHFFFAOYSA-N,3,1,0.329,32,126,447.527,5.347,6,0.362,0.71,1.0,0.07525186758961003,0.18548248920567473,0.439988691659242,0.4520509218011103,0.28819349256390925
EOS-3-47964,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)cc1F,QWZVELAOAPEHHJ-UHFFFAOYSA-N,3,1,0.61,59,13,467.838,5.503,5,0.341,0.78,1.0,0.914639161126722,0.9217497087245562,0.9849050784730313,0.9888201631142485,0.9525285278596395
EOS-3-47965,Fc1nc(-c2cncnc2)ccc1-c1nnc2cncc(OCc3ncc(C(F)(F)F)cn3)n12,RLGOEWMGBIORIL-UHFFFAOYSA-N,3,1,0.43,51,435,469.362,3.17,5,0.283,0.66,1.0,0.7647094099102186,0.8461551641422795,0.8786323761222672,0.7812178740319375,0.8176787060516757
EOS-3-47966,CCOc1cccc(CCOc2cncc3nnc(-c4cc(-c5cncn5CC)n(C)n4)n23)n1,GREAJUOGHHZGBX-UHFFFAOYSA-N,3,1,0.371,31,569,459.514,2.823,5,0.331,0.54,0.983,0.09326811047906243,0.005140154890000685,0.04322870262490577,0.01762216434788568,0.03981478308546364
EOS-3-47967,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ncon5)c4)n23)ccc1Cl,POYBPBHPHJXDEC-UHFFFAOYSA-N,3,1,0.767,88,876,471.279,4.909,5,0.348,0.69,1.0,0.9678568980878623,0.961782948392845,0.8825731615379343,0.9128915084641217,0.9312761291206908
EOS-3-47968,COCc1n[nH]c(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cnn2)n1,JQWCQJVMLZQWAZ-UHFFFAOYSA-N,3,1,0.255,30,301,462.477,3.242,6,0.396,0.55,0.644,0.1516688369542869,0.12387773284901651,0.16318278390788843,0.20216229182372694,0.16022291138372968
EOS-3-47969,Fc1cncc(F)c1COc1cncc2nnc(-c3cnnc(-c4ccncc4)c3)n12,CDTCMXGLKLETHG-UHFFFAOYSA-N,3,1,0.459,2,980,418.367,2.896,5,0.429,0.5,1.0,0.6652131450894387,0.5943304091563293,0.6777122883969571,0.6659841683229388,0.650810002741416
EOS-3-47970,O=C(c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cc1)N1CC(F)(F)C1,RIRZNBRIABKHSN-UHFFFAOYSA-N,3,1,0.383,61,341,488.433,3.541,6,0.381,0.75,1.0,0.3121359056952916,0.38725926941265165,0.5438455212117058,0.6343636488246179,0.4694010862860668
EOS-3-47971,Fc1cccc(-c2ccccc2-c2nnc3cncc(Cc4ccc(Cl)c(F)c4)n23)c1,OGCGKIZXQAHIHU-UHFFFAOYSA-N,3,1,0.402,83,480,432.861,5.981,5,0.351,0.86,1.0,0.4822921664039476,0.7052463847577274,0.979319443492564,0.9905678157768487,0.7893564526077719
EOS-3-47972,Clc1ncc(-c2cnc(-c3nnc4cncc(OCCc5cnccn5)n34)c(Cl)n2)nn1,JBDHJIGZQMULHA-UHFFFAOYSA-N,3,1,0.371,65,658,468.268,2.152,5,0.362,0.49,0.997,0.5752004660407101,0.5987595092865465,0.03736035912548832,0.09071516688369542,0.3255088753341101
EOS-3-47973,CCn1nc(-c2cncc3nnc(-c4ccc(-c5cn(C)c(C)n5)cn4)n23)nc1C1CCCO1,JBTJMQPWESSGAZ-UHFFFAOYSA-N,3,1,0.245,31,974,456.514,3.025,6,0.396,0.54,0.09,0.02787677335343705,0.02912754437667055,0.00242443972311699,0.002201699677883627,0.015407614282777054
EOS-3-47974,Fc1cc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)cnc1Cl,HCGQRUYSOWZQOQ-UHFFFAOYSA-N,3,1,0.456,2,422,468.279,4.668,5,0.346,0.65,1.0,0.8491535878281132,0.8058820505791241,0.8761137002261669,0.8977623192378864,0.8572279144678226
EOS-3-47975,Cc1nnc(-c2cc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)n(C)n2)o1,FMEKEDQKPXNANF-UHFFFAOYSA-N,3,1,0.507,36,706,408.809,3.329,5,0.445,0.76,1.0,0.5956668494277294,0.7235796038653964,0.1506836406003701,0.19627681447467618,0.416551727092043
EOS-3-47976,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)nc2)cc1,KVPRNSPZUQEEBE-UHFFFAOYSA-N,3,1,0.314,69,958,432.512,5.644,6,0.36,0.78,1.0,0.054725515728873964,0.11388869851278186,0.7019309848536769,0.7463333561784662,0.4042196388184497
EOS-3-47977,N#Cc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ccc(Cl)nc4)n23)cn1,OMYNKDUZUSWBGW-UHFFFAOYSA-N,3,1,0.535,97,959,475.299,4.401,5,0.344,0.67,0.974,0.8888184497292851,0.9012062230141868,0.7803269138510041,0.8078867109862243,0.844559574395175
EOS-3-47978,COc1nc(-c2nccn2C)cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)n1,MXQIRMTZZYAKFS-UHFFFAOYSA-N,3,1,0.368,7,564,467.852,2.757,5,0.371,0.51,1.0,0.5096891919676513,0.3204972243163594,0.24515112055376603,0.2253358234528134,0.3251683400726475
EOS-3-47979,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,WCVUCUJTWMGTEH-UHFFFAOYSA-N,3,1,0.46,24,28,457.853,4.215,5,0.365,0.6,1.0,0.7959015831677061,0.8427797957645123,0.6751764786512233,0.7033102597491604,0.7542920293331506
EOS-3-47980,Fc1cnc(COc2cncc3nnc(-c4cccc(COc5ccccc5)c4)n23)nc1Cl,OASWWNRVUBBZPZ-UHFFFAOYSA-N,3,1,0.523,1,881,462.872,4.532,5,0.328,0.64,1.0,0.8579432526900144,0.8173959975327256,0.7302532382975807,0.7250274141594133,0.7826549756699335
EOS-3-47981,Fc1cccc(-c2ccncc2-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)c1,VESLYFAKWRCMJM-UHFFFAOYSA-N,3,1,0.416,57,358,415.859,5.237,5,0.403,0.77,1.0,0.41844287574532246,0.5005568501130834,0.9297940511274073,0.9598296895346446,0.7021558666301144
EOS-3-47982,Fc1cnc(CCCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)c(F)c1,OIMGTMMDQMECRA-UHFFFAOYSA-N,3,1,0.452,75,324,446.421,3.328,5,0.351,0.5,1.0,0.7529812898362004,0.6902971009526421,0.3816479336577342,0.41076691110958813,0.5589233088890412
EOS-3-47983,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cc2F)n[nH]1,ZARGUBKKAVLOAJ-UHFFFAOYSA-N,3,1,0.552,47,164,455.906,4.36,5,0.409,0.54,1.0,0.8375882393256117,0.8617726680830649,0.5134672058118018,0.5547597834281406,0.6918969741621548
EOS-3-47984,Cc1nc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccccc5Cl)n34)n2)nn1C,YRZOQFKRYNNDHZ-UHFFFAOYSA-N,3,1,0.321,76,176,480.923,4.068,6,0.371,0.64,0.839,0.07335001028030978,0.16840004112123913,0.08751113700226167,0.17180967719827292,0.12526771640052087
EOS-3-47985,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)s2)n[nH]1,HOUZTPOZNRWOPR-UHFFFAOYSA-N,3,1,0.316,38,126,435.516,5.28,6,0.407,0.68,0.992,0.08602049208416147,0.18129326297032416,0.5801521485847441,0.5836217531354945,0.35777191419368104
EOS-3-47986,N#Cc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cccc(Cl)n1,XIFJHXBHPMTVKS-UHFFFAOYSA-N,3,1,0.472,97,214,445.895,4.414,5,0.369,0.6,1.0,0.7731392639298198,0.7766088684805702,0.6967908299636763,0.72503598108423,0.742893735864574
EOS-3-47987,CCOc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3cc(F)cc(Cl)c3)n12,XHIUBGUKFRCONM-UHFFFAOYSA-N,3,1,0.489,26,16,479.903,4.357,5,0.342,0.72,0.991,0.589849907477212,0.589618600507162,0.6115156603385649,0.5581437187307244,0.5872819717634159
EOS-3-47988,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccnnc4-c4cccnc4Cl)n23)cn1,PVJGENYXSPWXNZ-UHFFFAOYSA-N,3,1,0.298,70,887,466.896,3.759,6,0.361,0.53,0.985,0.1790487286683572,0.2587896648619012,0.35532177369611406,0.40746007813035434,0.3001550613391817
EOS-3-47989,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cscn1,URQNVRCHCQKSOP-UHFFFAOYSA-N,3,1,0.458,49,769,465.926,3.988,5,0.332,0.6,0.996,0.5838359262559112,0.5552737989171407,0.22354533616612982,0.21120896443012815,0.39346600644232743
EOS-3-47990,Cn1c(-c2ccccc2F)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1=O,XBIKWTLGYYRUOT-UHFFFAOYSA-N,3,1,0.479,11,848,476.899,3.966,5,0.345,0.63,0.999,0.6527311356315537,0.6180693578233157,0.6616921389897882,0.7170087725310123,0.6623753512439174
EOS-3-47991,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(C#N)nc5F)c4)n23)sn1,OSYKEQUYZQSQDB-UHFFFAOYSA-N,3,1,0.558,16,43,444.455,3.603,5,0.378,0.55,1.0,0.5700089096018094,0.5741895689123432,0.4578678637516277,0.407468645055171,0.5023837468302379
EOS-3-47992,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c(F)c1,YHRPZRMPTXORHK-UHFFFAOYSA-N,3,1,0.494,59,607,454.387,4.327,5,0.292,0.68,1.0,0.8647539579192653,0.8058906175039408,0.9726972106092797,0.9615002398738949,0.9012105064765952
EOS-3-47993,Clc1cc(Cl)nc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)c1,BEFYDADCHHORAU-UHFFFAOYSA-N,3,1,0.435,11,503,463.328,5.177,5,0.323,0.71,0.995,0.7499914330751833,0.7280601055445137,0.7070026043451443,0.8101483791378247,0.7488006305256665
EOS-3-47994,Cc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cn5)n34)s2)n1,UZKFMVVNOWDUFH-UHFFFAOYSA-N,3,1,0.257,76,368,468.571,5.112,6,0.355,0.71,0.722,0.032699952025221024,0.10796038653964773,0.1923017613597423,0.16118669042560482,0.12353719758755397
EOS-3-47995,N#Cc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)c(F)c1,LXFTZUZYWWRTFA-UHFFFAOYSA-N,3,1,0.506,90,255,414.322,3.853,4,0.364,0.73,1.0,0.9337691042423412,0.9408453841409088,0.9809471592077308,0.9695874169008293,0.9562872661229525
EOS-3-47996,COc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cn5)n34)cc2)cn1,ILDRNUDFQUFAIB-UHFFFAOYSA-N,3,1,0.402,41,318,476.5,4.45,6,0.347,0.72,1.0,0.47480467411418,0.3250291275443767,0.5064251936125008,0.3438335275169625,0.41252313069700497
EOS-3-47997,Cn1ccnc1-c1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(Cl)cn5)cn4)n23)cn1,XHOMJIYMXRTWAX-UHFFFAOYSA-N,3,1,0.373,80,977,480.923,3.683,6,0.367,0.63,1.0,0.24007950106229867,0.24382324720718251,0.22729764923583032,0.2518932903844836,0.24077342197244878
EOS-3-47998,Fc1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4Cl)n23)cc1-c1cccnc1,DYQUACTVVNFOHP-UHFFFAOYSA-N,3,1,0.518,97,89,467.291,5.273,5,0.328,0.78,1.0,0.9499006236721267,0.9481015694606264,0.9458570351586595,0.9603779727229114,0.951059300253581
EOS-3-47999,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)nn4)ccn3)n12,WZDPZSNMPQHBNG-UHFFFAOYSA-N,3,1,0.494,19,692,482.306,4.711,5,0.346,0.74,1.0,0.8171047220889589,0.7636728120074018,0.784893084778288,0.8499246110616133,0.8038988074840656
EOS-3-48000,Cn1ncc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)nc2)n1,ODWQDKPCIQENGO-UHFFFAOYSA-N,3,1,0.351,22,844,406.812,3.441,5,0.456,0.8,0.737,0.23462236995408128,0.39657151668836954,0.617675279281749,0.692284627510109,0.4852884483585772
EOS-3-48001,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5C(F)F)n4C)n23)nc1,CRYBUHKICPDHDX-UHFFFAOYSA-N,3,1,0.29,8,765,485.462,3.382,6,0.365,0.69,0.956,0.08161709272839422,0.19421218559385922,0.23809197450483174,0.28170618874648756,0.1989068603933932
EOS-3-48002,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)cnn2)cc1F,IEXWHLPLKHLBNO-UHFFFAOYSA-N,3,1,0.522,88,265,467.386,3.821,5,0.351,0.55,1.0,0.8991587279830032,0.867443972311699,0.9219638818449729,0.9237029675827565,0.9030673874306079
EOS-3-48003,Cc1cccc(COc2cncc3nnc(-c4cncc(-c5n[nH]c(=N)s5)c4)n23)n1,LGJBBFRPMOEVAM-UHFFFAOYSA-N,3,1,0.442,4,464,417.458,2.4,5,0.449,0.64,1.0,0.3245750805290933,0.24383181413199917,0.10459358508669728,0.06360084983894182,0.18415033239668288
EOS-3-48004,O=c1cc(-c2cccc(-c3nnc4cncc(OCc5cncs5)n34)c2)ncn1C1CCOC1,ZASHTAWDRKHFGJ-UHFFFAOYSA-N,3,1,0.434,15,256,473.518,3.012,6,0.37,0.55,1.0,0.15436741827153724,0.03203173188952094,0.11543931190459873,0.1611952573504215,0.1157584298540196
EOS-3-48005,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)cnn2)n(C)n1,UJKRNAACNIKJJB-UHFFFAOYSA-N,3,1,0.5,92,466,419.474,2.368,5,0.413,0.55,1.0,0.29659550407785623,0.1490302241107532,0.04028168048797204,0.0314834487012542,0.12934771434445894
EOS-3-48006,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cnc(C)cn1,GHNBGKWDRCXTNB-UHFFFAOYSA-N,3,1,0.392,31,602,473.928,3.579,5,0.349,0.56,0.114,0.5172709204304023,0.5693578233157426,0.09006408059762867,0.09457028305119594,0.31781577684874235
EOS-3-48007,Cc1ccc(-c2nnc3cncc(CCc4nncc(-c5ccnc(C)c5)c4F)n23)c(Cl)c1,DPYFZKVDCVUPJI-UHFFFAOYSA-N,3,1,0.373,14,81,459.916,4.838,5,0.374,0.57,1.0,0.4279607292166404,0.49602494688506615,0.6146168871221986,0.6777722568706737,0.5540937050236447
EOS-3-48008,O=[N+]([O-])c1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(F)cn5)c4)n23)s1,ITQZMAWGKBLIRU-UHFFFAOYSA-N,3,1,0.447,2,422,449.427,3.936,5,0.282,0.68,0.999,0.5956754163525461,0.37786135288876704,0.3399955451990953,0.21121753135494484,0.3811874614488383
EOS-3-48009,Fc1ccc(-c2nnccc2-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cc1,RQIAQBBCDDCPSO-UHFFFAOYSA-N,3,1,0.337,3,192,464.439,4.651,6,0.351,0.58,1.0,0.30156432047152354,0.4688335275169625,0.8099513398670414,0.8387790418751285,0.604782057432664
EOS-3-48010,COc1ncc(-c2nnc3cncc(-c4ccc(C(=O)N(C)Cc5ccc(Cl)s5)o4)n23)cn1,NKHCUZWJCXLNKK-UHFFFAOYSA-N,3,1,0.308,82,974,481.925,3.837,5,0.359,0.67,0.999,0.46727434720032895,0.39188540881365225,0.08751970392707834,0.059137482009457884,0.25145423548762935
EOS-3-48011,COc1ccc(-c2nnc3cncc(OCC4Oc5cccnc5O4)n23)cc1-c1cccc(C#N)c1,QDHNINPTMBWFJZ-UHFFFAOYSA-N,3,1,0.463,1,955,478.468,3.91,6,0.358,0.63,1.0,0.82522616681516,0.6659241998492221,0.8592282914125146,0.7250445480090467,0.7688558015214858
EOS-3-48012,COc1nccnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)no1,ASSWHEIIYXOTMZ-UHFFFAOYSA-N,3,1,0.443,27,69,470.371,3.296,5,0.327,0.62,0.984,0.5405129874580221,0.6268333219107669,0.4684565828250291,0.33432424097046126,0.49253178329106984
EOS-3-48013,c1ccc(-c2ncnnc2-c2cncc3nnc(-c4ccc(-c5ccsc5)s4)n23)cc1,AIAKXTQQQNWFBD-UHFFFAOYSA-N,3,1,0.269,30,543,439.529,5.1,6,0.38,0.64,0.638,0.06733602905900898,0.04542183537797272,0.27017510794325267,0.39212528270851893,0.19376456377218831
EOS-3-48014,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)ccc1-c1cc[nH]n1,KZJVNIBUNKFCBC-UHFFFAOYSA-N,3,1,0.447,2,846,479.479,3.794,6,0.367,0.63,1.0,0.6409173463093688,0.6561493386334042,0.5572698923994243,0.5480604482215065,0.6005992563909259
EOS-3-48015,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4nnc(-c5ccsc5)o4)n23)cc1,NVKOLLJHBLQHAM-UHFFFAOYSA-N,3,1,0.413,39,972,472.465,4.078,6,0.353,0.65,0.999,0.6095966691796313,0.5693663902405592,0.19914673428825988,0.2640069220752519,0.41052917894592555
EOS-3-48016,Clc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)ccn1,XFDHZIJOPAGUFS-UHFFFAOYSA-N,3,1,0.675,84,884,463.328,5.177,5,0.323,0.72,1.0,0.7349050784730313,0.8174045644575423,0.8679751216503324,0.9062007401823041,0.8316213761908025
EOS-3-48017,Cc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)c1,VFAOIHPMICQOLI-UHFFFAOYSA-N,3,1,0.5,19,207,409.453,3.573,5,0.423,0.71,1.0,0.4871667466246316,0.32050579124117606,0.3364659721746282,0.3375368377767117,0.37041883695428685
EOS-3-48018,Cc1cnsc1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cc4)c3)n12,NMIPRBLGIFHMDF-UHFFFAOYSA-N,3,1,0.613,1,326,433.924,5.456,5,0.368,0.77,1.0,0.6622147214036049,0.7594321842231513,0.6777208553217737,0.7539407854156672,0.7133271365910493
EOS-3-48019,Fc1ccc(C#Cc2ccnc(OCc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)nc1,ZTGGVIRPXMOLMQ-UHFFFAOYSA-N,3,1,0.4,14,81,475.846,3.887,5,0.364,0.61,1.0,0.7259783428140635,0.84952196559523,0.8419573709821122,0.8286101021177438,0.8115169453772875
EOS-3-48020,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccc2F)ccn1,QZJRVRDZDGHAHK-UHFFFAOYSA-N,3,1,0.477,57,616,431.858,5.747,5,0.362,0.79,1.0,0.8252347337399767,0.8990387910355698,0.9412308957576588,0.9452059488725927,0.9026775923514495
EOS-3-48021,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(Cl)c(-c5cccnc5F)cn4)n23)cn1,ZVCTUUTVPDUAFE-UHFFFAOYSA-N,3,1,0.363,82,204,486.898,3.995,6,0.374,0.75,0.867,0.2316924816667809,0.30499109039819067,0.340004112123912,0.48271194571996434,0.339849907477212
EOS-3-48022,CCn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc(C(F)F)c2)cn1,SMKRGFRJGXSYTP-UHFFFAOYSA-N,3,1,0.357,50,243,468.418,5.007,5,0.326,0.7,0.003,0.16264306764443837,0.26914707696525253,0.9012062230141868,0.8147145500651086,0.5369277294222465
EOS-3-48023,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5ccc(F)cc5)n34)cc2)n1C,IBBYKEBZGGLPBU-UHFFFAOYSA-N,3,1,0.377,69,152,461.504,5.368,6,0.353,0.7,1.0,0.2693355493112192,0.3730381742169831,0.7277773970255637,0.719801590021246,0.522488177643753
EOS-3-48024,Fc1cccc(Oc2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)nc2)c1F,RBSWPDYDZWMYEZ-UHFFFAOYSA-N,3,1,0.31,96,315,452.371,5.256,5,0.339,0.72,0.99,0.46728291412514567,0.6903056678774587,0.9734253992186964,0.9654581591391954,0.7741180350901241
EOS-3-48025,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)nn2C)cn1,NGPJUYSSLDJOGS-UHFFFAOYSA-N,3,1,0.4,53,587,414.433,1.968,5,0.425,0.6,1.0,0.13517750668220135,0.035124391748338014,0.03476458090603797,0.017056747309985607,0.05553080666164074
EOS-3-48026,Cc1cc(-c2nnc3cncc(Cc4ccc(Cl)c(C(F)(F)F)c4)n23)ccc1Cl,WPWJTYMTKMJIFF-UHFFFAOYSA-N,3,1,0.385,66,225,437.252,6.016,4,0.394,0.82,1.0,0.6681344664519224,0.8324823521348776,0.9990062367212665,0.9994602837365499,0.8747708347611541
EOS-3-48027,Fc1cnc(Cl)cc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)ncn1,HHUWECHOFGCIJD-UHFFFAOYSA-N,3,1,0.388,46,128,469.267,4.063,5,0.355,0.57,1.0,0.6527397025563704,0.7723682406963196,0.7145671989582619,0.7790333082036872,0.7296771126036597
EOS-3-48028,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nccn5C)c4)n23)c1Cl,OFLCISFHFIYCBG-UHFFFAOYSA-N,3,1,0.534,37,353,463.904,4.309,5,0.373,0.56,1.0,0.790178877390172,0.8357891851141115,0.6558923308889041,0.6430933452128024,0.7312384346514974
EOS-3-48029,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccnc(Cl)c5)c4)n23)cc1,SGBOWBWUMJPYAR-UHFFFAOYSA-N,3,1,0.585,43,232,450.289,4.529,5,0.364,0.54,1.0,0.9226835035295731,0.9421732574874923,0.79985093550819,0.8549191282297307,0.8799067061887464
EOS-3-48030,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(C)cn5)n34)nn2)nc1,ZMBDPVJEXNWBBT-UHFFFAOYSA-N,3,1,0.391,7,828,412.417,2.024,5,0.422,0.59,0.992,0.3322596120896443,0.1770783359605236,0.03477314783085464,0.02006373792063601,0.1410437084504146
EOS-3-48031,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cnc(C)nc1,UKMHWEYQVYDNMB-UHFFFAOYSA-N,3,1,0.396,7,690,463.954,4.808,5,0.357,0.64,0.997,0.4556918648481941,0.5552823658419573,0.3070557192790076,0.2817147556713042,0.3999361764101158
EOS-3-48032,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cnc1OC,BQZITEGAUKKXAA-UHFFFAOYSA-N,3,1,0.442,65,905,476.928,3.748,5,0.333,0.65,1.0,0.4533530943732438,0.3778699198135837,0.3218336645877596,0.25190185730930026,0.3512396340209718
EOS-3-48033,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccsn4)nc3Cl)n12,ZNSGPUWFZHQXGT-UHFFFAOYSA-N,3,1,0.524,58,28,453.89,4.119,5,0.357,0.56,1.0,0.734913645397848,0.8095829620999246,0.5134757727366185,0.5741124665889932,0.658021211705846
EOS-3-48034,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccccn4)n23)nn1C,BWIAVEAVZCGUAJ-UHFFFAOYSA-N,3,1,0.474,31,569,415.461,2.425,5,0.402,0.58,0.997,0.1433417860324858,0.016517031046535537,0.04650126790487287,0.03252861352888767,0.059722174628195464
EOS-3-48035,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ncn2)nn1,YGDVJMPBJRLNCN-UHFFFAOYSA-N,3,1,0.366,53,662,414.433,1.968,5,0.425,0.58,0.935,0.19598553903090946,0.0602768830100747,0.04172092385717223,0.019249880063052567,0.07930830649030224
EOS-3-48036,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)s2)c1,CROIEHSBQLMZBQ-UHFFFAOYSA-N,3,1,0.39,3,641,468.933,5.087,6,0.355,0.68,1.0,0.0932766774038791,0.34430470838187927,0.3890840243986019,0.5215115482146528,0.33704423959975327
EOS-3-48037,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5F)n34)ccn2)[nH]c1F,DHVDVCQHCAFHHO-UHFFFAOYSA-N,3,1,0.457,75,239,454.828,3.79,5,0.402,0.53,0.999,0.7439774518538825,0.7144386950860119,0.6884723459666918,0.6777808237954903,0.7061673291755192
EOS-3-48038,Cc1ccc(Cl)c(Cl)c1COc1cncc2nnc(-c3cccc(-c4cnccn4)c3)n12,BURBIDHEYJEZEV-UHFFFAOYSA-N,3,1,0.529,97,521,463.328,5.443,5,0.345,0.72,1.0,0.7703207456651361,0.8058991844287574,0.8883472688643684,0.8977708861627031,0.8405845212802413
EOS-3-48039,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5nnc(Cl)c(C)n5)c4)n23)ccc1Cl,MMCZUBRMFAIZQX-UHFFFAOYSA-N,3,1,0.506,16,772,479.331,4.541,5,0.362,0.66,1.0,0.7106007127681447,0.7892707833596052,0.4957165375916661,0.5547683503529574,0.6375890960180933
EOS-3-48040,Clc1ncc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)nn1,CBEHQSNFFFDTBG-UHFFFAOYSA-N,3,1,0.483,75,359,432.835,2.103,5,0.393,0.44,1.0,0.6588393530258378,0.6317336029059009,0.05374888629977383,0.0782417243506271,0.3556408916455349
EOS-3-48041,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)c1,RGEQLWRCINWQOS-UHFFFAOYSA-N,3,1,0.638,88,222,463.875,5.406,5,0.337,0.75,1.0,0.9668545678843122,0.9784884517853472,0.9544582276745939,0.9639675142210952,0.9659421903913372
EOS-3-48042,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(-c5nncs5)nc4)n23)s1,BPNBGDWAERHKAU-UHFFFAOYSA-N,3,1,0.325,3,693,472.534,4.943,6,0.358,0.67,0.996,0.17068741004728943,0.40619217325748747,0.25945788499760125,0.3406723322596121,0.29425245014049756
EOS-3-48043,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1F,HFOPJDYCNQTHQT-UHFFFAOYSA-N,3,1,0.478,73,353,467.867,4.58,5,0.363,0.59,1.0,0.8691402234253992,0.7723768076211364,0.8210883421287095,0.8125813857857583,0.8187966897402508
EOS-3-48044,FC(F)(F)c1ncc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1Cl,YYLAZLXKKZJHGM-UHFFFAOYSA-N,3,1,0.584,68,255,485.651,4.595,4,0.421,0.73,1.0,0.7647179768350353,0.9061407717085875,0.9670259063806456,0.9351997806867247,0.8932711089027483
EOS-3-48045,Cc1cc(-c2nnc3cncc(OCc4nccnc4-c4c(F)cccc4F)n23)ccc1Cl,WEHBCEZWSGHJNN-UHFFFAOYSA-N,3,1,0.506,34,671,464.863,5.067,5,0.361,0.67,1.0,0.9006665067507368,0.9481101363854431,0.8734408196833665,0.8950037694469193,0.9043053080666164
EOS-3-48046,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnn2)s1,JICMTEVJHDJMQX-UHFFFAOYSA-N,3,1,0.545,87,778,416.47,3.03,5,0.416,0.6,0.936,0.4896768555959153,0.3633746830237818,0.06139058323624152,0.05614762524844082,0.24264743677609485
EOS-3-48047,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)nn1,IFLGVLJIEVOGCJ-UHFFFAOYSA-N,3,1,0.516,58,981,410.441,2.968,5,0.421,0.68,1.0,0.6922589267356589,0.5509732026591735,0.22020423548762935,0.18007675964635733,0.41087828113220476
EOS-3-48048,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5cccnc5)c(F)c4)n23)nc1)N1CC(F)(F)C1,VMHZDDWRAHVMTE-UHFFFAOYSA-N,3,1,0.324,82,821,488.433,3.541,6,0.381,0.76,0.987,0.2827599204989377,0.3872678363374683,0.36639024055924885,0.49178431910081555,0.3820505791241176
EOS-3-48049,COc1cc(-c2nnc3cncc(Oc4cc(Cl)cc(Cl)c4)n23)ccc1-c1nccn1C,WKWBDKFNNOCSEY-UHFFFAOYSA-N,3,1,0.512,13,209,467.316,5.3,5,0.349,0.74,1.0,0.6557381262422041,0.5987680762113632,0.8210969090535262,0.8037488862997738,0.7198379994517168
EOS-3-48050,COc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccc(F)nc3Cl)n12,KLWJVLLTOLXYLZ-UHFFFAOYSA-N,3,1,0.473,49,710,478.875,3.461,5,0.324,0.63,1.0,0.8171132890137757,0.7553286272359674,0.3182355561647591,0.2935970803920225,0.5460686382016312
EOS-3-48051,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5scc(Cl)c5F)n34)ncn2)nc1,GBKVDBZTOTZBHB-UHFFFAOYSA-N,3,1,0.391,46,726,457.853,4.215,5,0.39,0.58,0.88,0.6622232883284216,0.6707045438969228,0.6831265848810911,0.7359588102254815,0.6880033068329793
EOS-3-48052,Cc1cc(-c2cccnc2)c(-c2nnc3cncc(-c4cncc(-c5cccc(F)c5)c4)n23)nn1,JXTTZYQTGNGCCK-UHFFFAOYSA-N,3,1,0.322,42,174,460.476,4.82,6,0.372,0.57,1.0,0.25339250222740045,0.3153313686519087,0.6350404358851347,0.7090415324515112,0.47820145980398876
EOS-3-48053,Fc1ccc(-c2c(-c3nnc4cncc(-c5cccc(-c6nnno6)n5)n34)nc3ccccn23)cc1,QSBNFNOZFIDIDZ-UHFFFAOYSA-N,3,1,0.292,76,541,476.435,3.752,7,0.373,0.56,0.99,0.2614368446302515,0.33423857172229454,0.23104996230553082,0.38260742923720104,0.30233320197381947
EOS-3-48054,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,INGYMBVGVFUOLB-UHFFFAOYSA-N,3,1,0.548,11,201,452.902,4.724,5,0.347,0.6,1.0,0.9417277773970255,0.9421818244123089,0.7277859639503804,0.7565194297854843,0.8420537488862998
EOS-3-48055,CCn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4C)n23)n1,TWKXKZUVGZSODX-UHFFFAOYSA-N,3,1,0.489,37,684,477.931,4.792,5,0.335,0.78,1.0,0.45336166129806044,0.5461500239873894,0.34770577753409637,0.4330751833321911,0.44507316153793436
EOS-3-48056,Fc1cnccc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ncn1,QJWZGKMMXYTWHQ-UHFFFAOYSA-N,3,1,0.419,59,488,453.359,3.779,5,0.296,0.62,0.372,0.7586354602152011,0.6659327667740388,0.9392605030498252,0.9310019875265575,0.8237076793914057
EOS-3-48057,Cc1ncc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4F)n23)c(-c2nncn2C)n1,WXCMKYDDSMZEBH-UHFFFAOYSA-N,3,1,0.275,39,972,483.446,3.087,6,0.372,0.6,0.995,0.19881262422040985,0.1854910561304914,0.17922863408950723,0.25790727160578436,0.20535989651154823
EOS-3-48058,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cncs5)nc4F)n23)c1F,AUXJWNFBEFXNQI-UHFFFAOYSA-N,3,1,0.449,55,143,437.435,3.87,5,0.386,0.53,1.0,0.7259869097388801,0.7144472620108286,0.5865859091220615,0.5215201151394695,0.63713504900281
EOS-3-48059,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccc5)n34)s2)nc1,CEYDBBSZDRJWEW-UHFFFAOYSA-N,3,1,0.312,94,515,468.933,5.087,6,0.355,0.69,0.981,0.23170104859159757,0.3205143581659927,0.347714344458913,0.47661229525049686,0.34413551161675004
EOS-3-48060,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)cc1F,ATGULRJJKYMGAS-UHFFFAOYSA-N,3,1,0.355,50,261,407.8,2.836,5,0.453,0.72,1.0,0.2558340758001508,0.4423959975327256,0.31449181001987525,0.43911486532794186,0.3629591871701734
EOS-3-48061,Clc1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(-c5ncccn5)cn4)n23)cn1,SPNKZZYAFQJPIC-UHFFFAOYSA-N,3,1,0.527,87,307,465.304,3.967,5,0.347,0.54,1.0,0.832550887533411,0.9236087314097732,0.4578764306764444,0.554776917277774,0.6922032417243507
EOS-3-48062,Cn1cnnc1-c1ncc(COc2cncc3nnc(-c4ccc(-c5cnnn5C)cc4)n23)s1,YTPKBDGQOSMYSM-UHFFFAOYSA-N,3,1,0.473,71,415,471.51,2.418,6,0.36,0.56,1.0,0.3042800356384072,0.2180111027345624,0.0335052429579878,0.02959015831677061,0.146346634911932
EOS-3-48063,Cc1c(-c2nc(Cc3cncc4nnc(-c5ccc(C(=O)NCCO)cc5)n34)ccc2F)cnn1C,SFDFPXYLSCWGBG-UHFFFAOYSA-N,3,1,0.383,52,357,486.511,2.347,5,0.362,0.71,1.0,0.1905455417723254,0.15292817490233707,0.19915530121307656,0.1232437804125831,0.16646819957508055
EOS-3-48064,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)c(Cl)n2)s1,FTWFSDLTJTTWPG-UHFFFAOYSA-N,3,1,0.6,19,483,467.917,4.427,5,0.341,0.64,1.0,0.747087245562333,0.8617812350078816,0.3437221574943458,0.44564286203824277,0.5995583750257008
EOS-3-48065,Cc1cnc(-c2nnc3cncc(-c4cnn(-c5cccc(F)n5)n4)n23)c(-c2cnn(C)c2)c1,WZTJHVBHGFMHDV-UHFFFAOYSA-N,3,1,0.232,99,312,453.445,2.677,6,0.374,0.46,1.0,0.0035467068741004727,0.07865293674182715,0.14164553491878557,0.1557381262422041,0.09489582619422932
EOS-3-48066,Cc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccnn5)n34)c2)cn1,LPNOEMHAYIJWMN-UHFFFAOYSA-N,3,1,0.447,87,858,411.429,2.363,5,0.415,0.63,1.0,0.4970958124871496,0.3537197587553972,0.12655061339181686,0.10273456240148036,0.270025186758961
EOS-3-48067,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6Cl)n[nH]5)n34)nc2)cc1,NMYPSRFRWAVUCX-UHFFFAOYSA-N,3,1,0.354,83,737,468.883,5.098,6,0.386,0.67,0.994,0.2614454115550682,0.47321122609827976,0.7120570899869783,0.8366201768213282,0.5708334761154136
EOS-3-48068,COc1ncc(C(F)F)cc1-c1cnnc(COc2cncc3nnc(-c4ccc(C)cc4)n23)c1,WRGQYQOUAVHRAQ-UHFFFAOYSA-N,3,1,0.467,89,534,475.459,4.477,5,0.34,0.66,1.0,0.609605236104448,0.5943389760811459,0.8036632170516071,0.6517716400520869,0.664844767322322
EOS-3-48069,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c(F)c2)s1,FAVIJEFHFLOYRZ-UHFFFAOYSA-N,3,1,0.472,16,772,471.88,4.524,5,0.348,0.67,1.0,0.784687478582688,0.7973836611609897,0.6967993968884929,0.7170173394558289,0.7489719690219998
EOS-3-48070,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3cnc(-c4nccn4C)cc3F)n12,BKBKEMFRQWWKRJ-UHFFFAOYSA-N,3,1,0.316,8,765,482.483,3.197,6,0.368,0.61,0.994,0.3067644438352409,0.3049996573230073,0.2925433486395723,0.23428825988623123,0.28464892742101294
EOS-3-48071,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,SRYYZZVHFZQFSE-UHFFFAOYSA-N,3,1,0.403,69,695,444.473,5.721,6,0.348,0.76,1.0,0.3121444726201083,0.505131587965184,0.8518093345212803,0.8755911178123501,0.6361691282297306
EOS-3-48072,Cc1cc(CCc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ncn4)n23)ccn1,BTQSCICJLQRJIF-UHFFFAOYSA-N,3,1,0.296,85,580,412.432,3.271,5,0.409,0.66,0.705,0.2853985333424714,0.2793845521211706,0.38539167980261807,0.3697056404632993,0.3299701014323898
EOS-3-48073,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5-c5ncc(F)cn5)n34)nc2)nc1,MOVISVOTWFEGNT-UHFFFAOYSA-N,3,1,0.36,42,977,483.417,4.185,6,0.368,0.67,1.0,0.4029367418271537,0.5896271674319786,0.65022102666027,0.6951117126996094,0.5844741621547529
EOS-3-48074,Cn1nc(CF)cc1-c1cccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,VDGYZAJYKWGNME-UHFFFAOYSA-N,3,1,0.467,16,55,467.867,4.428,5,0.344,0.63,1.0,0.4997858268795833,0.5139383866767185,0.7733448701254197,0.7489034336234666,0.633993129326297
EOS-3-48075,Fc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)s3)n12,LWKVPLDRMIXLKO-UHFFFAOYSA-N,3,1,0.326,32,126,440.463,5.376,6,0.366,0.69,0.96,0.3196662326091426,0.42910013021725724,0.704535329997944,0.730424576793914,0.5459315674045645
EOS-3-48076,Fc1cnccc1-c1nccnc1-c1nnc2cncc(-c3ccc(Oc4ncccn4)cn3)n12,QNXVHGLPZINJQH-UHFFFAOYSA-N,3,1,0.255,86,114,464.424,3.427,6,0.374,0.5,0.997,0.5022274004523336,0.4337605373175245,0.26667123569323553,0.267176684257419,0.36745896443012815
EOS-3-48077,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)ns4)n23)cc1,WVDDJSCITQQJGX-UHFFFAOYSA-N,3,1,0.356,93,203,447.527,5.347,6,0.362,0.73,1.0,0.10041292577616338,0.13779041875128503,0.3291155506819272,0.38568295524638474,0.2382504626139401
EOS-3-48078,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ccn2)cc1F,ZJVWHWAAWYUIPE-UHFFFAOYSA-N,3,1,0.529,59,577,468.826,4.898,5,0.365,0.62,1.0,0.9456514289630594,0.9303337673908574,0.969878692344596,0.973048454526763,0.954728085806319
EOS-3-48079,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)cc1Cl,YFRQJRJKPAURNU-UHFFFAOYSA-N,3,1,0.551,35,393,454.881,3.79,5,0.38,0.49,1.0,0.8755911178123501,0.8945068878075526,0.754925981769584,0.7643324652182852,0.822339113151943
EOS-3-48080,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)c(Cl)c4)n23)cnc1Cl,WHOHCPATWGKVPM-UHFFFAOYSA-N,3,1,0.53,97,89,467.291,5.273,5,0.328,0.76,1.0,0.9327068055650743,0.9141851141114385,0.9432869577136591,0.9554005894044274,0.9363948666986499
EOS-3-48081,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)nc(F)c5F)n34)ncn2)nn1,KZUQUKUBJJAISG-UHFFFAOYSA-N,3,1,0.356,46,395,467.827,3.252,5,0.359,0.52,0.309,0.7044667945994106,0.5987766431361798,0.5438540881365225,0.531826125693921,0.5947309128915086
EOS-3-48082,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nn(C)c2=O)cn1,NSUVUERMZDNVRW-UHFFFAOYSA-N,3,1,0.385,31,602,476.888,1.715,5,0.355,0.57,0.352,0.209923925707628,0.13779898567610172,0.03089233088890412,0.04165238845863889,0.10506690768281818
EOS-3-48083,Cn1ccnc1-c1nnc2cncc(OCc3ccc(F)c(-c4nncs4)c3)n12,LMESPNQTYJPXAV-UHFFFAOYSA-N,3,1,0.471,36,772,408.422,2.761,5,0.441,0.74,1.0,0.37643067644438355,0.289896168871222,0.22355390309094647,0.2342968268110479,0.28104439380439994
EOS-3-48084,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c(F)c2)cs1,NRJRJIYGULFWCQ-UHFFFAOYSA-N,3,1,0.467,59,772,470.892,5.129,5,0.354,0.75,1.0,0.8691487903502159,0.8290041806593106,0.8706737029675827,0.8680779247481324,0.8592261496813104
EOS-3-48085,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4cnc(C(F)(F)C(F)F)cn4)n23)cc1F,YOZODRVFYVIPAQ-UHFFFAOYSA-N,3,1,0.277,50,243,472.381,4.145,5,0.358,0.59,0.849,0.24820094578849977,0.4016688369542869,0.9774946885066137,0.9527362757864437,0.645025186758961
EOS-3-48086,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)nn1C,AVUITOZVRJOPRY-UHFFFAOYSA-N,3,1,0.469,95,864,466.908,3.822,5,0.362,0.53,1.0,0.35318004249194707,0.310114111438558,0.4286717839764238,0.46139743677609485,0.38834084367075594
EOS-3-48087,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnn5)n4)n23)c(F)c1,CQKGLZDJKSVYEG-UHFFFAOYSA-N,3,1,0.469,71,415,481.455,2.552,6,0.349,0.59,1.0,0.4601209649784114,0.5005654170379,0.23463093687889794,0.21968165307381263,0.3537497429922555
EOS-3-48088,Cc1cc(OCc2cncc3nnc(-c4cc(-c5ccc(F)cc5F)ccn4)n23)ccc1Cl,WOKWPAIFZARTDJ-UHFFFAOYSA-N,3,1,0.373,57,189,463.875,5.672,5,0.336,0.83,1.0,0.6775666506750737,0.755337194160784,0.9604893427455281,0.9654667260640121,0.8397149784113495
EOS-3-48089,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4)n23)s1,XWDCGSSLJVLLNH-UHFFFAOYSA-N,3,1,0.383,32,653,453.506,5.121,6,0.37,0.65,0.996,0.12404907134534987,0.27423583030635323,0.5706599958878761,0.6168956891234323,0.39646014666575286
EOS-3-48091,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cnc(F)c(F)c4)n23)nn1C,AABNCNITKBGNPA-UHFFFAOYSA-N,3,1,0.402,31,569,451.441,2.703,5,0.351,0.51,0.989,0.28540710026728805,0.15674045644575424,0.27423583030635323,0.24019087108491535,0.2391435645260777
EOS-3-48092,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4snnc4-c4ccncn4)n23)s1,TXJUGBYTMGUPIW-UHFFFAOYSA-N,3,1,0.262,76,935,456.52,3.594,6,0.392,0.5,0.997,0.01919847851415256,0.012319237886368309,0.014829346857651977,0.025829278322253443,0.018044085395106574
EOS-3-48093,Fc1c(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccnc1C(F)(F)F,QCQZANMACHFVQJ-UHFFFAOYSA-N,3,1,0.619,68,127,438.772,4.014,4,0.346,0.57,1.0,0.9506973476800767,0.9779573024467137,0.9711465972174628,0.9419505174422589,0.960437941196628
EOS-3-48094,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cc(C)nnc5Cl)n4)n23)cc1,BXNCHDSHFPOUTC-UHFFFAOYSA-N,3,1,0.37,14,81,462.344,5.158,5,0.367,0.62,1.0,0.360299157014598,0.42023336303200604,0.5897128366801453,0.67477383318484,0.5112547974778973
EOS-3-48095,c1ccc(-c2ccccc2-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cc1,VUOPDZGOKNPKIS-UHFFFAOYSA-N,3,1,0.338,93,93,426.483,5.582,6,0.368,0.77,1.0,0.10315434171749709,0.11110444794736482,0.7120656569117949,0.7590552395312179,0.4213449215269687
EOS-3-48096,c1cc(-c2nn[nH]n2)cc(-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)c1,YCNGJEFKICGNFB-UHFFFAOYSA-N,3,1,0.352,9,867,408.385,2.688,6,0.467,0.68,1.0,0.23463093687889794,0.15293674182715372,0.25254437667055035,0.27584641217188677,0.2289896168871222
EOS-3-48097,CCc1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4F)n23)cc(C)n1,JPRIKTOMUZMBQN-UHFFFAOYSA-N,3,1,0.31,82,478,411.444,4.32,5,0.438,0.71,0.995,0.3370485230621616,0.3778784867384004,0.6529710095264204,0.6140429031594818,0.4954852306216161
EOS-3-48098,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)cc2)ns1,VYIOMJMYSCHSOR-UHFFFAOYSA-N,3,1,0.558,16,980,470.345,4.899,5,0.361,0.72,1.0,0.7321036940579809,0.6561579055582208,0.5337279830032212,0.6200311836063327,0.6355051915564389
EOS-3-48099,COc1ccccc1-c1cc(-c2nnc3cncc(OCc4ccns4)n23)ncn1,WMJALWPHKSJWSO-UHFFFAOYSA-N,3,1,0.409,44,238,417.454,3.292,5,0.415,0.61,0.995,0.3465406757590295,0.1529453087519704,0.24176718525118224,0.18008532657117401,0.23033462408333905
EOS-3-48100,Cc1cncc(-c2nnc3cncc(OCc4cc(-c5cnc(C(F)(F)F)nc5)ccc4F)n23)n1,YILHXXDYIHHRJG-UHFFFAOYSA-N,3,1,0.411,27,969,482.401,4.084,5,0.345,0.69,0.989,0.830023644712494,0.7144558289356453,0.8860513330135015,0.7617795216229183,0.7980775820711398
EOS-3-48101,Fc1ccc(-c2ccnc(-c3nnc4cncc(COc5nccc(C(F)(F)F)n5)n34)c2)cn1,XCHRBWCNOGKRNY-UHFFFAOYSA-N,3,1,0.305,27,157,468.374,3.775,5,0.284,0.66,1.0,0.48230073332876433,0.5509817695839901,0.8979250908094031,0.7812264409567542,0.6781085086697278
EOS-3-48102,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)ccnc1Cl,XESSKMAXKKXXCG-UHFFFAOYSA-N,3,1,0.535,35,76,453.89,4.119,5,0.357,0.57,1.0,0.7760948529915701,0.8812624220409842,0.59952196559523,0.616904256048249,0.7184458741690083
EOS-3-48103,Cc1cc(Cl)ncc1-c1nnc2cncc(-c3c(-c4cnccn4)nc(C)n3C)n12,FJFCCJDNSHEYJI-UHFFFAOYSA-N,3,1,0.317,50,489,417.864,3.314,5,0.415,0.56,0.69,0.16538448358577204,0.2537266122952505,0.11238948666986498,0.1585052429579878,0.17250145637721886
EOS-3-48104,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ccn2)cn1,MHKKKCDIONPUIB-UHFFFAOYSA-N,3,1,0.465,7,99,413.445,2.573,5,0.432,0.59,1.0,0.2534010691522171,0.12744157357275032,0.10460215201151395,0.05329483928449044,0.13468490850524295
EOS-3-48105,Cc1cccc(-c2ncsc2COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1,ZSOGVINVABXNIJ-UHFFFAOYSA-N,3,1,0.429,6,584,468.506,3.377,6,0.39,0.57,0.998,0.3965800836131862,0.41106675347817145,0.08249091905969433,0.06697621821670893,0.23927849359194023
EOS-3-48106,CCc1ccc(F)cc1-c1nnc2cncc(-c3ccnc(-c4ccnc(F)c4)c3)n12,CHOBKVNQNACQMT-UHFFFAOYSA-N,3,1,0.325,96,46,414.419,4.756,5,0.397,0.72,1.0,0.3146974162154753,0.3965800836131862,0.8720786786375163,0.8632033445274484,0.6116398807484066
EOS-3-48107,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)nn1C,AZTSPZOAMPYHJL-UHFFFAOYSA-N,3,1,0.455,31,569,415.461,2.425,5,0.402,0.6,1.0,0.10042149270098005,0.005637036529367419,0.08013501473511069,0.05767253786580769,0.06096652045781647
EOS-3-48108,Fc1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(F)c1,DPGZMIJBTVLMDS-UHFFFAOYSA-N,3,1,0.42,45,533,443.841,5.653,5,0.361,0.75,1.0,0.3580117880885477,0.6268418888355836,0.955666164073744,0.980347474470564,0.7302168288671098
EOS-3-48109,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nccc(-c6cnccn6)n5)n34)c(F)c2)n1,ZYRIPVLRSWPAFD-UHFFFAOYSA-N,3,1,0.402,80,147,480.467,3.157,6,0.354,0.59,1.0,0.5252724282091701,0.5647745185388253,0.32184223151257624,0.2817233225961209,0.4234031252141731
EOS-3-48110,Clc1cc(OCc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)c(Cl)nn1,WIUDBWTXSLISTK-UHFFFAOYSA-N,3,1,0.404,14,351,455.33,5.196,5,0.363,0.64,1.0,0.5072647522445343,0.5185816599273525,0.7225001713384963,0.7972294565142897,0.6363940100061682
EOS-3-48111,Clc1cc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)ncn1,JTUMDGCHCAYILK-UHFFFAOYSA-N,3,1,0.5,16,256,456.318,4.591,5,0.357,0.61,1.0,0.752989856761017,0.7235881707902131,0.6559008978137207,0.7359673771502981,0.7171115756288122
EOS-3-48112,Clc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5csnn5)c4)n23)c1Cl,PSVQXAJWRWGLJG-UHFFFAOYSA-N,3,1,0.469,87,838,471.333,4.028,5,0.366,0.61,1.0,0.45107429237201013,0.5368463436364882,0.42533925022274005,0.567670139126859,0.49523250633952437
EOS-3-48113,Cc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c1F,XLCJZKYPMCJDSI-UHFFFAOYSA-N,3,1,0.494,57,417,431.858,5.747,5,0.362,0.79,1.0,0.9575937221574944,0.9666917963127956,0.941976218216709,0.9428072099239257,0.9522672366527312
EOS-3-48114,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)nc5)nc4)n23)cn1,ADKNDZCHNZURNU-UHFFFAOYSA-N,3,1,0.29,86,780,479.483,3.431,6,0.342,0.63,1.0,0.212502570077445,0.2384774861215818,0.07378692344595984,0.09261702419299568,0.15434600095949558
EOS-3-48115,Cc1nccn1-c1ccc(CCOc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)cc1,GKTCEAUGGMQOLB-UHFFFAOYSA-N,3,1,0.615,67,187,477.532,3.702,6,0.346,0.63,1.0,0.564217668425742,0.29510485915975604,0.34373072441916247,0.2519104242341169,0.3637409190596943
EOS-3-48116,CCCc1ncc(Cc2cncc3nnc(-c4ccc(-c5ccc(C)nn5)cc4)n23)o1,REIBZIRSYJLZAZ-UHFFFAOYSA-N,3,1,0.34,14,740,411.469,4.088,5,0.415,0.73,1.0,0.22638098828044684,0.1567490233705709,0.11835206634226578,0.10069563429511343,0.15054442807209922
EOS-3-48117,Cc1ccc(-c2nnc3cncc(OCc4nc(C)ncc4-c4cccnc4)n23)cn1,HPGKTXLJEXQZOR-UHFFFAOYSA-N,3,1,0.482,7,205,410.441,3.234,5,0.435,0.67,1.0,0.4301709958193407,0.37788705366321707,0.2451596874785827,0.17181824412308958,0.3062589952710575
EOS-3-48118,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncc(C)cn5)c4)n23)nc1,BJWHYNPHZJPBPD-UHFFFAOYSA-N,3,1,0.53,7,420,410.441,3.234,5,0.435,0.67,1.0,0.3555359468165307,0.2284713179357138,0.21658899321499556,0.14309334521280243,0.23592240079501064
EOS-3-48119,COc1ncc(F)cc1-c1cnnc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,VKQOGAGDCRKATN-UHFFFAOYSA-N,3,1,0.429,18,87,462.42,2.947,5,0.337,0.52,0.999,0.7106092796929614,0.5051401548900006,0.5171852511822356,0.4361935439654582,0.542282057432664
EOS-3-48120,Fc1ccccc1-c1ccnc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)c1,MPXNPIYIHFSWPT-UHFFFAOYSA-N,3,1,0.506,11,503,464.863,4.801,5,0.336,0.65,1.0,0.8349581934068947,0.8461637310670962,0.8871907340141183,0.9095675416352547,0.869470050030841
EOS-3-48121,CCn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cnc(C)cn4)n23)c(F)c1,VDOTVKHMGKLKLL-UHFFFAOYSA-N,3,1,0.267,39,953,479.483,3.431,6,0.365,0.58,1.0,0.16265163456925502,0.20331025974916045,0.09670344733054623,0.12325234733739977,0.14647942224659036
EOS-3-48122,Cc1nc(-c2ccccc2F)c(-c2nnc3cncc(-c4ccc(-c5nccn5C)cn4)n23)s1,FJGGVFSSBWROLQ-UHFFFAOYSA-N,3,1,0.349,32,693,468.521,4.825,6,0.369,0.64,0.999,0.14335035295730245,0.28990473579603865,0.2701836748680694,0.3311202110890275,0.2586397436776095
EOS-3-48123,c1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)s2)c1,IMCDEVYOLVVWAA-UHFFFAOYSA-N,3,1,0.314,38,126,439.529,5.1,6,0.38,0.62,1.0,0.08162565965321088,0.1942207525186759,0.4286803509012405,0.4614060037009115,0.2914831916935097
EOS-3-48124,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4)n23)ccc1-c1nc(C)c(C)nc1C,OLCNCBKPTYAMQY-UHFFFAOYSA-N,3,1,0.415,31,690,466.549,4.413,5,0.362,0.61,0.878,0.37408333904461655,0.18549962305530807,0.0715338222191762,0.03253718045370434,0.16591349119320128
EOS-3-48125,Fc1ccc(COc2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)cc1F,GLVNTOIJATUTQR-UHFFFAOYSA-N,3,1,0.59,59,294,481.85,4.066,5,0.343,0.73,1.0,0.8851432389829347,0.9036991981358372,0.8466863134809129,0.8078952779110411,0.8608560071276815
EOS-3-48126,Cc1ccnc(F)c1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,HERLLVIVWMZVPW-UHFFFAOYSA-N,3,1,0.535,34,929,464.863,5.067,5,0.338,0.7,0.992,0.9159070659995888,0.9716349119320129,0.8577462134192311,0.8664930436570488,0.9029453087519703
EOS-3-48127,N#Cc1ncccc1Cn1ncc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)n1,FFZPHKKHAYXTBR-UHFFFAOYSA-N,3,1,0.29,70,723,475.451,2.961,6,0.345,0.58,0.728,0.22915667192104722,0.32052292509080943,0.34001267904872867,0.37623363717360014,0.31648147830854634
EOS-3-48128,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cc5F)n34)c(F)c2)ns1,AZTYINODZNPTQI-UHFFFAOYSA-N,3,1,0.494,16,772,471.88,4.524,5,0.348,0.7,1.0,0.7409276266191488,0.8017270920430403,0.6884809128915085,0.7170259063806456,0.7370403844835858
EOS-3-48129,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)c5nccc(Cl)n5)cn4)n23)cn1,GEWSMKDSAOSXJA-UHFFFAOYSA-N,3,1,0.344,82,155,472.896,3.15,5,0.302,0.64,0.999,0.2911469398944555,0.3826673977109177,0.3854002467274347,0.2550116510177507,0.3285565588376396
EOS-3-48130,COc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)ncn2)c(C)c1,QXEVDPVWWYOEAP-UHFFFAOYSA-N,3,1,0.5,4,633,477.887,4.332,5,0.356,0.65,1.0,0.7986429991090398,0.9272668083064903,0.6559094647385375,0.5986224384894798,0.7451104276608869
EOS-3-48131,Cn1cnnc1-c1ncc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)cn4)n23)cc1F,KKFBEFAEXKAAAS-UHFFFAOYSA-N,3,1,0.442,80,816,482.443,1.947,6,0.343,0.61,1.0,0.4723716674662463,0.4778287985744637,0.0592659858817079,0.06067952847645809,0.267536495099719
EOS-3-48132,CCn1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)ncn2)c1C,LOHPGNRCBPSFRE-UHFFFAOYSA-N,3,1,0.448,4,677,460.929,4.314,5,0.372,0.59,1.0,0.332268179014461,0.5461585909122062,0.3182441230895758,0.29360564731683914,0.37256913508327055
EOS-3-48133,Cc1nc(COc2cncc3nnc(-c4cc(-c5ncccn5)c(Cl)c(=N)[nH]4)n23)ccc1F,IXPINUMMHJEIMC-UHFFFAOYSA-N,3,1,0.441,73,242,463.864,3.131,5,0.409,0.54,0.808,0.36947433349324926,0.3392245219655952,0.4139109725173052,0.40128332533753686,0.3809732883284216
EOS-3-48134,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc(-c2cnc(C)n2C)n1,BJPAJYDMQSTAMC-UHFFFAOYSA-N,3,1,0.484,59,910,465.439,4.2,5,0.362,0.57,1.0,0.6713641971078061,0.5604653553560414,0.8077410732643411,0.7170344733054622,0.6891512747584128
EOS-3-48135,Fc1ccncc1CCOc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,XQWSKUHZDZAMPI-UHFFFAOYSA-N,3,1,0.566,75,324,414.404,2.799,5,0.418,0.56,1.0,0.767767802069769,0.705254951682544,0.45075731615379344,0.4267270920430402,0.5876267904872867
EOS-3-48136,Fc1cc(CCOc2cncc3nnc(-c4cc(Cl)c(-c5cscn5)cn4)n23)ccn1,XCLYUOWAUVGLQR-UHFFFAOYSA-N,3,1,0.472,18,578,453.89,4.119,5,0.357,0.53,1.0,0.7259954766636968,0.7098039887601947,0.5865944760468782,0.6282896991296004,0.6626709101500926
EOS-3-48137,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,ZSCSQPCLQIQFBW-UHFFFAOYSA-N,3,1,0.477,65,905,412.457,3.086,5,0.405,0.64,1.0,0.3694829004180659,0.15295387567678706,0.2742443972311699,0.2112260982797615,0.2519768179014461
EOS-3-48138,Cc1cc(-c2nnc3cncc(OCc4cc(-n5cccc5)ncc4Cl)n23)ccc1Cl,RWQCNFOYTBXPNL-UHFFFAOYSA-N,3,1,0.518,59,772,451.317,5.171,5,0.369,0.69,1.0,0.6011325474607635,0.6753563840723734,0.8748286615036667,0.8922109519566856,0.7608821362483722
EOS-3-48139,Fc1cc(F)c(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)c1,GYVXKQDYVYEMOI-UHFFFAOYSA-N,3,1,0.395,45,315,455.35,4.665,5,0.29,0.69,0.502,0.41173497361387157,0.6132461791515318,0.9708553217736962,0.967531354944829,0.7408419573709821
EOS-3-48140,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)c(F)c1,JXZOYXUXWHIQRN-UHFFFAOYSA-N,3,1,0.467,59,607,466.879,5.185,5,0.344,0.71,1.0,0.8300322116373107,0.8290127475841272,0.927198272907957,0.9226492358303063,0.8772231169899253
EOS-3-48141,COc1nc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)ccc1-c1cc(F)ccn1,RWAFVCZEANFGBT-UHFFFAOYSA-N,3,1,0.42,49,501,475.459,3.86,5,0.35,0.59,1.0,0.7470958124871496,0.536854910561305,0.537240422178055,0.43308375025700774,0.5635687238708793
EOS-3-48142,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)c2)cn1,VJAKNZYBVOYPFC-UHFFFAOYSA-N,3,1,0.418,18,157,465.304,3.967,5,0.274,0.7,1.0,0.6350404358851347,0.6611609896511548,0.4857275032554314,0.5612449455143582,0.5857934685765198
EOS-3-48143,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5ncccn5)s4)n23)cc1,PNIYBEAOKYAZLV-UHFFFAOYSA-N,3,1,0.459,89,398,487.52,3.92,6,0.371,0.79,1.0,0.47481324103899664,0.3153399355767254,0.16319135083270508,0.1909995887876088,0.286086029059009
EOS-3-48145,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nnnn5C)cc4Cl)n23)c(F)c1,FDYBJYAUISASBI-UHFFFAOYSA-N,3,1,0.366,25,866,488.878,2.632,6,0.367,0.72,1.0,0.2374323212939483,0.43376910424234116,0.19567712973750942,0.33754540470152833,0.3011059899938318
EOS-3-48146,CCc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)ccc1F,DFLPJNYWKXOWJD-UHFFFAOYSA-N,3,1,0.436,51,253,476.903,4.281,5,0.334,0.67,1.0,0.7761034199163868,0.8588256459461312,0.3964001781920362,0.39213384963333564,0.6058657734219725
EOS-3-48147,CC1CCCN1C(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5F)n4)n23)cc1,PRDSLPFUUWKAQY-UHFFFAOYSA-N,3,1,0.364,0,21,486.486,3.942,6,0.382,0.73,0.927,0.0910150092522788,0.12019395517784937,0.11239805359468165,0.2726252484408197,0.14905806661640736
EOS-3-48148,N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)s1,LUCCYAWKQQTSAM-UHFFFAOYSA-N,3,1,0.588,91,273,467.917,4.136,5,0.39,0.65,1.0,0.707602289082311,0.7098125556850113,0.6383044342402852,0.6632770200808717,0.6797490747721198
EOS-3-48149,COc1cnc(C)nc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ncn1,LKEGPIGONADAOV-UHFFFAOYSA-N,3,1,0.412,7,354,461.873,2.983,5,0.348,0.53,0.998,0.6011411143855802,0.709821122609828,0.2062487149612775,0.16120382427523816,0.4196036940579809
EOS-3-48150,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)s1,ARPYHNTUDYSCCE-UHFFFAOYSA-N,3,1,0.523,65,981,420.523,4.301,5,0.408,0.61,1.0,0.5927712288396957,0.564783085463642,0.22021280241244603,0.18542252073195806,0.39079740936193547
EOS-3-48151,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)nc1,HGMNWGPYAOIHTB-UHFFFAOYSA-N,3,1,0.365,32,93,461.916,5.631,6,0.338,0.79,1.0,0.15971317935713797,0.33923308889041187,0.7569563429511342,0.8225789870468097,0.5196203995613734
EOS-3-48152,Cc1cc(CCOc2cncc3nnc(-c4cnnc(-c5ccsc5)c4)n23)nc(Cl)n1,TXNYXXKIFIRKRE-UHFFFAOYSA-N,3,1,0.457,87,778,450.915,3.683,5,0.361,0.54,0.998,0.5808803371941608,0.6084058666301144,0.1792372010143239,0.20524638475772736,0.39344244739908163
EOS-3-48153,Cc1nc(-c2nnc3cncc(OCc4cccc(-c5nccnn5)n4)n23)ccc1-c1ccnnc1,VRBZYTUIYWRSMW-UHFFFAOYSA-N,3,1,0.382,6,984,475.476,2.778,6,0.351,0.54,0.996,0.32982660544171066,0.19887259269412652,0.13539167980261804,0.11162703036118155,0.1939294770749092
EOS-3-48154,Fc1cc(-c2ccnc(-c3nnc4cncc(C=Cc5ccccc5)n34)c2)ccc1Cl,UVIJGDVXMFZSBB-UHFFFAOYSA-N,3,1,0.385,57,198,427.87,5.816,5,0.363,0.84,1.0,0.3298351723665273,0.4732197930230964,0.9255534233431567,0.9386179836885752,0.666806593105339
EOS-3-48155,Cn1nc(-c2nnc3cncc(OCCc4ccnnc4)n23)cc1-c1ccc(OC(F)(F)F)cc1,LZEDODWFWUEVMJ-UHFFFAOYSA-N,3,1,0.494,95,835,482.426,3.502,5,0.347,0.67,1.0,0.4510828592968268,0.47783736549928035,0.8434737166746624,0.7304331437187307,0.6257067712973751
EOS-3-48156,CC(C)(C)c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,LJVLHYGOKXBWOD-UHFFFAOYSA-N,3,1,0.613,90,636,411.868,4.855,4,0.48,0.76,1.0,0.857951819614831,0.9122918237269549,0.9180230964293057,0.8426255911178123,0.882723082722226
EOS-3-48157,COc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cnn2)cn1,DQFCHYXKOLGPNY-UHFFFAOYSA-N,3,1,0.452,4,875,464.848,3.418,5,0.373,0.48,1.0,0.5535004454800905,0.6659413336988554,0.6261565348502501,0.5581522856555411,0.6009376499211844
EOS-3-48158,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)s5)cn4)n23)cc1F,PUSLRORFEKPNNI-UHFFFAOYSA-N,3,1,0.617,84,308,470.892,4.863,5,0.352,0.68,1.0,0.8851518059077513,0.842788362689329,0.8387619080254952,0.8464036049619629,0.8532764203961346
EOS-3-48159,Cn1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(F)c(C#N)n5)n34)cc2)nn1,JHCFJUGRNNIOPI-UHFFFAOYSA-N,3,1,0.367,14,81,411.404,2.583,5,0.447,0.6,1.0,0.25873826331300115,0.33424713864711125,0.4545181961483106,0.43912343225275857,0.37165675759029543
EOS-3-48160,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c(Cl)n2)cn1,HQXROPGBQZSOTI-UHFFFAOYSA-N,3,1,0.478,55,62,465.304,4.233,5,0.355,0.59,1.0,0.7471043794119663,0.7280686724693304,0.5304725515728874,0.5771023233500103,0.6456869817010485
EOS-3-48161,Cc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nc2)o1,DAGRHZGYQUNCJP-UHFFFAOYSA-N,3,1,0.395,22,844,407.796,4.004,5,0.446,0.81,1.0,0.39016345692550203,0.5741981358371598,0.6146254540470153,0.6807107120827908,0.564924439723117
EOS-3-48162,Fc1cccc(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)c1Cl,HUMMXHITCGLFBX-UHFFFAOYSA-N,3,1,0.633,84,884,452.902,4.724,5,0.371,0.59,1.0,0.7230141868274964,0.7766174354053869,0.809959906791858,0.8306575971489274,0.7850622815434172
EOS-3-48163,Clc1cc(-c2nnc3cncc(OCc4noc(-c5cnccn5)n4)n23)ccc1-c1ccccc1,PPNJEIIPRDCFJS-UHFFFAOYSA-N,3,1,0.466,41,147,482.891,4.531,6,0.337,0.79,1.0,0.5726560893701597,0.6084144335549311,0.3854088136522514,0.48583030635323143,0.5130774107326435
EOS-3-48164,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)c2)s1,LACOLTJGQNVRKW-UHFFFAOYSA-N,3,1,0.588,37,626,467.917,4.427,5,0.341,0.63,1.0,0.8537540264546638,0.8891953944212185,0.4957251045164828,0.5351158248235214,0.6934475875539716
EOS-3-48165,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c1,FULKMTOXTZQKKK-UHFFFAOYSA-N,3,1,0.544,24,16,456.865,4.82,5,0.353,0.67,1.0,0.7986515660338565,0.864634020971832,0.8402525529435954,0.869868412034816,0.843351637996025
EOS-3-48166,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4cncnc4Oc4ccccc4)n23)nc1,NGMBKTPERLGJFQ-UHFFFAOYSA-N,3,1,0.351,30,93,461.46,5.242,6,0.347,0.71,1.0,0.4392605030498252,0.5368634774861216,0.7120742238366116,0.7384432184223151,0.6066603556987183
EOS-3-48167,Cn1ccnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)on1,MRDMAUSOBBUELR-UHFFFAOYSA-N,3,1,0.309,86,812,412.373,2.292,6,0.424,0.63,1.0,0.17905729559317388,0.11111301487218148,0.05567644438352409,0.05469981495442396,0.10013664245082585
EOS-3-48169,Cc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3cc(F)c(Cl)cn3)n12,CTZROEFPPXYWBD-UHFFFAOYSA-N,3,1,0.484,58,490,479.878,4.505,5,0.354,0.67,1.0,0.8813480912891508,0.8730124734425331,0.6640737440888219,0.6922931944349257,0.7776818758138578
EOS-3-48170,Cc1cc(-c2nnc3cncc(OCCc4cccc(-c5cccc(F)c5)n4)n23)ccc1Cl,BRQZTHNARYCBIA-UHFFFAOYSA-N,3,1,0.544,57,732,459.912,5.576,5,0.332,0.78,1.0,0.9265900212459736,0.9667003632376122,0.869328695771366,0.8868908916455349,0.9123774929751217
EOS-3-48171,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c(F)c2)c(C)n1,OVSGDOPPLIAZKH-UHFFFAOYSA-N,3,1,0.573,13,573,464.863,5.589,5,0.345,0.77,1.0,0.8905918031663355,0.9061493386334042,0.884903365088068,0.8840552395312179,0.8914249366047564
EOS-3-48172,COc1ccccc1-c1cnnc(-c2cncc3nnc(-c4ccc(-c5cn(C)nn5)cc4F)n23)n1,ZRGMLUGBYOJURC-UHFFFAOYSA-N,3,1,0.37,98,314,480.467,3.254,6,0.366,0.58,0.985,0.16799739565485575,0.3101226783633747,0.32551744225892676,0.31848399698444246,0.2805303783153999
EOS-3-48173,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)n1,UZJMPELRRPLVBH-UHFFFAOYSA-N,3,1,0.556,75,359,411.429,2.363,5,0.415,0.63,1.0,0.615405044205332,0.3443132753066959,0.10186073607018024,0.09072373380851209,0.28807569734768007
EOS-3-48174,CNCc1ncc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)c(C)c5)n34)c2)s1,IODSRYMNYHFENU-UHFFFAOYSA-N,3,1,0.396,14,18,476.993,5.175,5,0.349,0.8,1.0,0.36474539099444864,0.3684034678911658,0.6057586868617642,0.5741210335138098,0.47825714481529713
EOS-3-48175,Fc1cc(-c2ncc(-c3nnc4cncc(OCc5cnc(C(F)(F)F)cn5)n34)cn2)ccn1,TXRHNORELZUVCF-UHFFFAOYSA-N,3,1,0.471,7,535,469.362,3.17,5,0.283,0.65,1.0,0.6154136111301487,0.6805136728120074,0.840261119868412,0.6923017613597423,0.7071225412925776
EOS-3-48176,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5cccnc5F)c(Cl)n4)n23)c1,CHLZWEOFNVYEQX-UHFFFAOYSA-N,3,1,0.418,46,223,469.814,4.293,5,0.354,0.59,0.999,0.8669213898978823,0.8526317593036804,0.8905061339181687,0.8977794530875197,0.8769596840518128
EOS-3-48177,COCc1nc(-c2cccc(-c3nnc4cncc(Oc5cc(Cl)c(F)cc5F)n34)c2)n[nH]1,ZZIIJOMPOLLUCR-UHFFFAOYSA-N,3,1,0.417,13,145,469.839,4.447,5,0.366,0.62,1.0,0.7471129463367829,0.7235967377150299,0.795130559934206,0.7927146871359056,0.7646387327804811
EOS-3-48178,Cc1cccnc1COc1cncc2nnc(-c3ccc(-c4cncn4C)c(C)n3)n12,GTZKCANUILOOOO-UHFFFAOYSA-N,3,1,0.419,31,690,412.457,3.178,5,0.437,0.61,0.994,0.31215303954492496,0.14903879103556988,0.18894352683160853,0.11639024055924885,0.19163139949283806
EOS-3-48179,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1F,ZFZLEIPEQNJIBP-UHFFFAOYSA-N,3,1,0.558,37,125,467.867,4.14,5,0.349,0.59,1.0,0.7618137893221849,0.7808066616407374,0.8450414639161127,0.8366287437461449,0.806072664656295
EOS-3-48180,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1nccs1,BQOHXLSGGSUQOS-UHFFFAOYSA-N,3,1,0.411,31,690,464.942,3.937,5,0.356,0.58,0.303,0.5122592694126517,0.6132547460763484,0.06330100747035844,0.08871907340141183,0.3193835240901926
EOS-3-48181,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(F)c(F)c3F)n12,QMCBCWUZWUWXKD-UHFFFAOYSA-N,3,1,0.494,57,13,451.383,4.989,5,0.278,0.8,1.0,0.9491038996641765,0.95030326913851,0.9806901514632308,0.9787026249057639,0.9646999862929203
EOS-3-48182,Cc1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c2)o1,VPJKVDCXIKTLNL-UHFFFAOYSA-N,3,1,0.535,34,146,471.279,5.175,5,0.349,0.72,1.0,0.8537625933794805,0.9365619217325749,0.8577547803440477,0.8895380714138853,0.8844043417174972
EOS-3-48183,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(F)c1,OOQCWTYMUMVKRY-UHFFFAOYSA-N,3,1,0.39,93,68,450.452,5.589,6,0.351,0.73,1.0,0.029033308203687203,0.31013124528819136,0.9263844150503735,0.9444263587142759,0.552493831814132
EOS-3-48184,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(C#N)c5)n34)nn2C)ncn1,DVGLAUJZGKMPIB-UHFFFAOYSA-N,3,1,0.43,31,569,424.428,2.136,5,0.416,0.49,1.0,0.2966040710026729,0.12388629977383318,0.22730621616064697,0.17445685696662325,0.20556336097594408
EOS-3-48185,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(C)nn5)ncn4)n23)nn1,BNLGNCOURKTFHE-UHFFFAOYSA-N,3,1,0.393,53,587,412.417,2.024,5,0.422,0.58,0.976,0.3219364676855596,0.14512370639435268,0.0537574532245905,0.033642313755054484,0.1386149852648893
EOS-3-48186,Cc1ccccc1-c1cnc(-c2nnc3cncc(Cc4ccc(-n5nncc5C)cn4)n23)cc1F,FPIZIIQROBKEAX-UHFFFAOYSA-N,3,1,0.312,14,81,477.507,4.176,6,0.367,0.61,0.1,0.056618806113357546,0.11389726543759852,0.4177489548351724,0.4234887944623398,0.25293845521211705
EOS-3-48187,Cc1cccc(-c2cc(-c3nnc4cncc(-c5ccc(-c6ncnn6C)nc5)n34)ccc2Cl)n1,NJQREVLWJOYOMY-UHFFFAOYSA-N,3,1,0.299,3,522,479.935,4.673,6,0.362,0.68,0.999,0.21520971831951202,0.36841203481598245,0.4647899390034953,0.4980296072921664,0.38661032485778907
EOS-3-48188,Fc1cnc(-c2ccnc(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)n2)cn1,RLZPJMCNSQMZRC-UHFFFAOYSA-N,3,1,0.372,50,575,406.331,3.123,5,0.454,0.78,1.0,0.40492426838462064,0.6180779247481324,0.6939637447741759,0.7513792748954835,0.6170863032006031
EOS-3-48189,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)nc4Cl)n23)n1,AAVOYHSMFVXRSK-UHFFFAOYSA-N,3,1,0.477,4,617,456.944,4.011,5,0.365,0.57,0.999,0.4231375505448564,0.5794239599753273,0.030900897813720785,0.04278322253443904,0.2690614077170859
EOS-3-48190,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)c(Cl)c2)s1,QIMYZUACPVFYSX-UHFFFAOYSA-N,3,1,0.44,4,820,471.333,4.294,5,0.35,0.67,1.0,0.522693783839353,0.6951031457747927,0.26667980261805224,0.37624220409841685,0.4651797340826537
EOS-3-48191,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cccnc6)n5)n34)cc2)nn1,JWJDNIXSKIXHHP-UHFFFAOYSA-N,3,1,0.308,98,973,487.409,3.305,6,0.368,0.71,0.99,0.05151291892262354,0.19888115961894318,0.620613734493866,0.5417551915564389,0.35319075114796794
EOS-3-48192,CCn1nc(COC)nc1-c1cncc2nnc(-c3ccc(C(=O)N4CCC(OC)C4)c(F)c3)n12,AOCREOCDEBUWOT-UHFFFAOYSA-N,3,1,0.306,78,792,480.504,2.216,5,0.396,0.65,0.99,0.05302926461517374,0.1414998971969022,0.0029898567610170653,0.007710232335001028,0.05130731272702351
EOS-3-48193,COc1ncc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1cccc(F)c1F,WPAZNLPZENIZKY-UHFFFAOYSA-N,3,1,0.511,35,657,465.485,4.823,5,0.343,0.67,1.0,0.7986601329586731,0.7423240353642656,0.8056079089849908,0.7359759440751148,0.770642005345761
EOS-3-48194,c1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)ncn1,DFFHHARXIVFKJB-UHFFFAOYSA-N,3,1,0.307,42,608,408.385,2.484,6,0.432,0.76,1.0,0.02673737235282023,0.02913611130148722,0.2202213693372627,0.2169231032828456,0.12325448906860394
EOS-3-48195,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nc2F)nn1,TUGGYMRDOOTUQN-UHFFFAOYSA-N,3,1,0.429,46,237,454.878,3.78,5,0.369,0.52,1.0,0.6622318552532382,0.6853454184086081,0.2594664519224179,0.3184925639092591,0.4813840723733808
EOS-3-48196,Cc1nc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)[nH]c1F,BUUAODRNNZDENF-UHFFFAOYSA-N,3,1,0.548,15,619,415.432,3.645,5,0.455,0.57,1.0,0.7731478308546365,0.6412257556027688,0.49242683846206564,0.4391319991775752,0.5864831060242615
EOS-3-48197,CNS(=O)(=O)Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)no1,JDQLJSLDPDJXTJ-UHFFFAOYSA-N,3,1,0.447,33,53,478.494,1.864,5,0.35,0.64,0.999,0.2508738263313001,0.1139058323624152,0.026497498457953534,0.02397025563703653,0.10381185319717634
EOS-3-48198,FCc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)n1,TYHWGEWOUCHCRR-UHFFFAOYSA-N,3,1,0.495,15,846,467.917,4.449,5,0.349,0.63,1.0,0.6497412788705367,0.7052635186073607,0.2417757521759989,0.3185011308340758,0.478820420121993
EOS-3-48199,Cn1nncc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)c1,FQDBCDKGTCBGFV-UHFFFAOYSA-N,3,1,0.394,46,62,421.371,2.234,5,0.398,0.51,1.0,0.42084161469398945,0.305008224247824,0.4786426564320472,0.44240456445754234,0.41172426495785075
EOS-3-48200,OC(c1ccccc1)c1cn(Cc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4)n23)nn1,DRXRTGTURQIFAC-UHFFFAOYSA-N,3,1,0.378,12,285,478.491,3.714,6,0.364,0.6,1.0,0.22638955520526352,0.2899133027208553,0.7250959495579467,0.7304417106435473,0.49296012953190327
EOS-3-48201,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)n1,QHDRODONTQPVFS-UHFFFAOYSA-N,3,1,0.5,44,531,479.878,4.505,5,0.331,0.71,1.0,0.8942498800630526,0.8357977520389281,0.7687958330477692,0.7857326434103215,0.8211440271400179
EOS-3-48202,Cc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccc(F)nc4)n23)nc1,OBRIGONWSRQTDI-UHFFFAOYSA-N,3,1,0.4,46,128,414.404,3.065,5,0.404,0.6,1.0,0.6011496813103968,0.5794325269001439,0.3106795284764581,0.287497429922555,0.4446897916523884
EOS-3-48203,Cc1cnc(-c2nnc3cncc(Cc4ccc(-c5ccns5)cc4)n23)c(-c2nccn2C)c1,WIJGWKPGIWSZTK-UHFFFAOYSA-N,3,1,0.279,42,78,464.558,4.61,6,0.37,0.61,0.997,0.11608183126584881,0.06028544993489137,0.2666883695428689,0.269806730176136,0.17821559522993627
EOS-3-48204,FCc1cc(-c2cc(-c3nnc4cncc(Oc5cc(F)cnc5Cl)n34)ncn2)ccn1,SUHGLARWERSDKV-UHFFFAOYSA-N,3,1,0.337,46,971,452.812,4.093,5,0.367,0.52,0.764,0.8067901446096909,0.6853539853334247,0.6805736412857241,0.6837348365430745,0.7141131519429785
EOS-3-48205,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)cc1,YWKQJOJGNKAUPB-UHFFFAOYSA-N,3,1,0.359,69,695,444.473,5.721,6,0.348,0.77,0.998,0.28819991775752174,0.4599924611061613,0.8303920224796107,0.8698769789596327,0.6121153450757316
EOS-3-48206,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccccc6)nc5)n34)cn2)c1,IBYQVFUOSSOMTF-UHFFFAOYSA-N,3,1,0.408,30,220,461.916,5.631,6,0.338,0.78,1.0,0.20721677746556097,0.38727640326228496,0.7405164142279488,0.812589952710575,0.5368998869165924
EOS-3-48207,Fc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)n1,UWCDSCXCHYYGJC-UHFFFAOYSA-N,3,1,0.506,75,324,415.392,2.194,5,0.385,0.59,1.0,0.6984271126036597,0.6317421698307175,0.20980398876019465,0.1854310876567747,0.43135108971283664
EOS-3-48208,CCc1ccnc(CCOc2cncc3nnc(-c4cc(C)nc(-c5cncc(Cl)c5)c4)n23)n1,RKNZQFSPGUUMQJ-UHFFFAOYSA-N,3,1,0.424,87,661,472.94,4.184,5,0.347,0.6,1.0,0.5781389212528271,0.6514632307586868,0.2098125556850113,0.21428449043931191,0.4134247995339593
EOS-3-48209,CCn1nc(-c2ncnn2C(C)C)nc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,PQVMEYKQMZEVHJ-UHFFFAOYSA-N,3,1,0.303,98,882,481.528,2.705,6,0.352,0.64,1.0,0.0752604345144267,0.021982729079569597,0.0036495099719004867,0.0011822356247001577,0.025518727297649233
EOS-3-48210,c1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)c2)cc1,QQYJDFMLTOULLA-UHFFFAOYSA-N,3,1,0.333,93,987,426.483,5.582,6,0.368,0.75,1.0,0.12120485230621617,0.14150846412171886,0.8018213282160236,0.830666164073744,0.4738002021794257
EOS-3-48211,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5ncccc5-c5cccc(F)c5)n34)nc2)n(C)n1,TXMDHPHZDAAAQZ-UHFFFAOYSA-N,3,1,0.353,3,693,476.519,4.687,6,0.359,0.67,0.999,0.19055410869714207,0.24384038105681585,0.49573367144129943,0.5080614762524844,0.3595474093619354
EOS-3-48212,Fc1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(F)c(F)c4F)n23)c(F)c1,TTYNSLPWFPAVBL-UHFFFAOYSA-N,3,1,0.402,45,102,429.308,4.809,5,0.304,0.71,1.0,0.4344201905284079,0.6611695565759715,0.9827547803440477,0.9879977383318485,0.7665855664450689
EOS-3-48213,Cn1c(C#N)ccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Cl)cn1,KZDNQKYPEQBTHL-UHFFFAOYSA-N,3,1,0.571,43,232,476.327,4.949,5,0.356,0.69,0.997,0.9200705914604893,0.9254506202453567,0.902337057089987,0.9119063121102049,0.9149411452265095
EOS-3-48214,Fc1cccc(-c2ncc(-c3nnc4cncc(-c5ncnc(-c6cccnc6Cl)n5)n34)cn2)c1,FWUWMWOBNAKVMU-UHFFFAOYSA-N,3,1,0.402,42,136,482.87,3.955,6,0.344,0.68,1.0,0.2508823932561168,0.4291086971420739,0.3553303406209307,0.4796107189363306,0.378733037488863
EOS-3-48215,COCc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc(C)n2)cn1,DMFGUXKOGHONCZ-UHFFFAOYSA-N,3,1,0.388,7,330,475.9,3.121,5,0.346,0.56,1.0,0.5198409978754026,0.5846840518127613,0.1663011445411555,0.15062367212665342,0.35536246658899323
EOS-3-48216,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1cnc(C)cn1,HSNBJRSUTCVLSP-UHFFFAOYSA-N,3,1,0.382,20,720,473.928,3.579,5,0.349,0.56,0.159,0.5252809951339867,0.5896357343567953,0.09225721335069563,0.09457884997601261,0.32543819820437253
EOS-3-48217,Cn1cncc1-c1ccc(F)c(-c2nnc3cncc(OCc4ccc(C#CC5CC5)nc4)n23)n1,MESMCROCXJTHOY-UHFFFAOYSA-N,3,1,0.42,31,690,466.48,3.461,6,0.366,0.54,0.998,0.5252895620588034,0.4246538962374066,0.32912411760674387,0.35999931464601465,0.4097667226372421
EOS-3-48218,Clc1cnc(-c2cc(COc3cncc4nnc(-c5ccsc5)n34)on2)nc1,VGCOZHIKKCBMLD-UHFFFAOYSA-N,3,1,0.464,55,775,411.834,3.53,5,0.432,0.69,1.0,0.6011582482352135,0.47784593242409706,0.18244979782057433,0.24591357686244947,0.37684188883558356
EOS-3-48220,Cn1c(-c2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cc2nc(F)ccc21,HYOYDWAELWGQQN-UHFFFAOYSA-N,3,1,0.322,86,812,413.376,2.929,6,0.407,0.65,1.0,0.2854156671921047,0.3684206017407991,0.29255191556438903,0.32780481118497706,0.31854824892056743
EOS-3-48221,FC(F)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)cc1Br,BSKSKMHUFVNEAP-UHFFFAOYSA-N,3,1,0.376,66,455,486.202,4.286,4,0.401,0.69,1.0,0.4139109725173052,0.5461671578370229,0.962553971626345,0.92461962853814,0.7118129326297032
EOS-3-48222,OCc1ccc(COc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)nn1,JPIAQYASKSJRIV-UHFFFAOYSA-N,3,1,0.488,72,534,412.413,2.11,5,0.446,0.62,1.0,0.41617264066890547,0.3392416558152286,0.3218507984373929,0.27887053663217054,0.33903390788842436
EOS-3-48223,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ncn(Cc6ccc(F)c(F)c6)n5)nc4)n23)cn1,FOUXKITXOCFHQE-UHFFFAOYSA-N,3,1,0.315,50,151,484.474,3.655,6,0.355,0.71,0.988,0.26661983414433554,0.33925022274004524,0.42148413405523955,0.43620211089027483,0.36588907545747384
EOS-3-48224,Fc1cccc(CCOc2cncc3nnc(-c4cnnc(-c5cnc(Cl)cc5F)c4)n23)c1,MRGUMGPSRDNWDR-UHFFFAOYSA-N,3,1,0.562,84,73,465.851,4.196,5,0.347,0.56,1.0,0.8537711603042971,0.9217582756493728,0.841965937906929,0.8729953395928998,0.8726226783633746
EOS-3-48225,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1nc(C)nn1C,ORISERLLQHWICS-UHFFFAOYSA-N,3,1,0.54,46,717,478.919,4.224,5,0.36,0.69,0.831,0.5096977588924679,0.5139469536015352,0.27019224179288603,0.3185096977588925,0.40308666301144547
EOS-3-48226,COc1ncc(-c2nnc3cncc(OCCc4sccc4C)n23)cc1-c1cscn1,XNTWPMBONBBGHK-UHFFFAOYSA-N,3,1,0.478,87,657,450.549,4.31,5,0.365,0.6,1.0,0.4184514426701391,0.3490764855047632,0.16319991775752177,0.09863957233911315,0.25734185456788433
EOS-3-48227,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccncn5)c(F)cn4)n23)n(C)n1,OCFPWJILTXYHCF-UHFFFAOYSA-N,3,1,0.389,31,662,417.408,2.403,5,0.429,0.51,0.996,0.3694914673428826,0.30003084092934,0.22022993626207937,0.17706120211089027,0.26670336166129804
EOS-3-48228,Fc1cc(Cl)cnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,NZNOPNYXNWEMFZ-UHFFFAOYSA-N,3,1,0.403,96,558,452.827,5.645,5,0.352,0.75,1.0,0.42796929614145707,0.6753649509971901,0.9702042354876294,0.9717891165787129,0.7613318998012473
EOS-3-48229,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)c1,GQUGFTFTYUZNFZ-UHFFFAOYSA-N,3,1,0.479,65,981,450.915,3.683,5,0.361,0.55,1.0,0.514675142210952,0.6412343225275855,0.26291892262353506,0.2966297717771229,0.4288645397847989
EOS-3-48230,Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)n1,GEBFQCNWDPHXSU-UHFFFAOYSA-N,3,1,0.315,38,57,448.515,4.742,6,0.384,0.55,1.0,0.12405763827016654,0.14151703104653554,0.4399972585840587,0.4140394763895552,0.279902851072579
EOS-3-48231,Clc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)nn1,KAMNXOCNUIWERQ-UHFFFAOYSA-N,3,1,0.333,38,787,468.933,5.087,6,0.355,0.66,1.0,0.16539305051058872,0.31534850250154206,0.5801607155095607,0.6314508943869509,0.4230882907271606
EOS-3-48232,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(Cl)c4)n23)c(F)c1,QKORQINMYVRNOC-UHFFFAOYSA-N,3,1,0.329,64,27,484.886,3.898,6,0.37,0.68,1.0,0.19056267562195875,0.3342557055719279,0.3701425536289494,0.5480690151463231,0.36075748749228975
EOS-3-48233,Cn1cnnc1-c1ccc(Cl)c(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)c1,DDVKSOYRCQCYCI-UHFFFAOYSA-N,3,1,0.322,3,581,484.886,3.898,6,0.37,0.68,1.0,0.1847971352203413,0.41107532040298816,0.42868891782605717,0.5986310054142965,0.40579809471592077
EOS-3-48234,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ncc(Cl)cn4)n23)c(F)c1,RXGBANKKEQRQSF-UHFFFAOYSA-N,3,1,0.299,94,459,484.886,3.898,6,0.37,0.68,1.0,0.33705708998697825,0.37304674114179975,0.4035963950380371,0.4858388732780481,0.3998847748612158
EOS-3-48235,Fc1cccc(COc2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)n2)c1,UHDXURFWWHBNNQ-UHFFFAOYSA-N,3,1,0.456,59,665,481.85,4.066,5,0.343,0.66,0.982,0.7199472277431294,0.5896443012816119,0.782648550476321,0.7880542800356384,0.7200735898841751
EOS-3-48236,CCn1cnnc1-c1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cs1,RULRJGDAJUAKKH-UHFFFAOYSA-N,3,1,0.413,31,908,471.909,3.335,5,0.355,0.57,1.0,0.43225275854979095,0.38267596463573433,0.087528270851895,0.14567198958261943,0.26203224590500995
EOS-3-48237,CCn1cncc1-c1cc(C#N)cc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)c1,YPVSZFVHHXQADU-UHFFFAOYSA-N,3,1,0.531,26,70,471.471,4.446,5,0.348,0.63,1.0,0.7703293125899527,0.6317507367555343,0.8883558357891851,0.8583801658556645,0.7872040127475841
EOS-3-48238,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccon5)c(F)n4)n23)c1,HZKKHNVSYSKBKX-UHFFFAOYSA-N,3,1,0.484,19,442,454.824,4.394,5,0.351,0.61,1.0,0.7647265437598519,0.7553457610856007,0.8229387978891097,0.8516379960249468,0.7986622746898773
EOS-3-48239,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(Cl)n4)n23)cc1F,HWCLJCYXTCHDBJ-UHFFFAOYSA-N,3,1,0.536,4,353,470.295,4.612,5,0.349,0.64,1.0,0.75,0.82514906449181,0.8099684737166747,0.8347354533616613,0.8049632478925365
EOS-3-48240,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5sncc5F)n34)c(Cl)n2)n1,ILKYXQCBXRBIGW-UHFFFAOYSA-N,3,1,0.449,7,564,454.878,3.78,5,0.369,0.56,1.0,0.6834606949489411,0.6853625522582414,0.26669693646768555,0.3245408128298266,0.4900152491261737
EOS-3-48241,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnnc5)n34)cnn2)s1,CTVNHEHRRORYGS-UHFFFAOYSA-N,3,1,0.468,92,778,417.458,2.425,5,0.41,0.57,1.0,0.5146837091357687,0.3918939757384689,0.08014358165992735,0.07048009046672607,0.2643003392502227
EOS-3-48242,CCn1c(-c2cccc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,LGQHLXGZFHKDGD-UHFFFAOYSA-N,3,1,0.39,3,474,479.935,4.847,6,0.348,0.73,1.0,0.10316290864231376,0.30003940785415667,0.2667055033925022,0.4391405661023919,0.2772620964978411
EOS-3-48243,Fc1cc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccccn5)c4)n23)ccc1Cl,HSPJOUQKONOTBZ-UHFFFAOYSA-N,3,1,0.411,57,358,450.304,5.89,5,0.343,0.82,1.0,0.5122678363374683,0.7236053046398465,0.9656980330340621,0.9820951271331643,0.7959165752861354
EOS-3-48244,FC(F)(F)c1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cn1,IDBBJMMSIJQBQI-UHFFFAOYSA-N,3,1,0.406,27,157,484.829,4.29,5,0.364,0.71,1.0,0.6350490028099514,0.7328233157425811,0.9229148104996231,0.8533085463641971,0.7860239188540882
EOS-3-48245,Fc1cnc(Cl)c(Oc2cncc3nnc(-c4cc(-c5ccccc5)ccc4F)n23)c1,MMRWMCIXSGSOFR-UHFFFAOYSA-N,3,1,0.437,57,480,435.821,5.577,5,0.345,0.76,1.0,0.8906003700911521,0.9199335206634227,0.9523164964704269,0.9660150092522788,0.93221634911932
EOS-3-48246,N#Cc1ccc(F)c(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)c1,LMTOBWBSCYAQFO-UHFFFAOYSA-N,3,1,0.5,11,275,471.883,4.534,5,0.335,0.66,1.0,0.9438438078267425,0.9254591871701734,0.8547220889589473,0.8698855458844493,0.898477657460078
EOS-3-48247,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)cc2)n1,PGHWJRMAOMVXFX-UHFFFAOYSA-N,3,1,0.333,38,983,447.527,5.347,6,0.362,0.7,1.0,0.11037625933794805,0.1726663696799397,0.5438626550613391,0.5283565211431704,0.3388154513055993
EOS-3-48248,Cc1csc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cnccn6)cc5)n34)c2)n1,FRIHZTSMSDHVSQ-UHFFFAOYSA-N,3,1,0.338,69,898,447.527,5.347,6,0.362,0.7,1.0,0.06734459598382564,0.13780755260091837,0.5337365499280379,0.5115824823521349,0.3126177952162292
EOS-3-48249,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)ccn2)nc1,DVPDQBUXYHJGOU-UHFFFAOYSA-N,3,1,0.542,59,445,452.371,4.384,5,0.291,0.68,1.0,0.9240627784250566,0.8838239325611679,0.9620056884380783,0.9567284627510109,0.9316552155438285
EOS-3-48250,COc1nc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)ccc1-c1cscn1,CYWVWNCBOUKGJO-UHFFFAOYSA-N,3,1,0.419,49,501,469.889,4.085,5,0.366,0.57,0.991,0.570017476526626,0.5794410938249606,0.4545267630731273,0.4267356589678569,0.5076802480981427
EOS-3-48251,N#Cc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ccco1,HPHHFUPABKKKDY-UHFFFAOYSA-N,3,1,0.518,20,846,409.409,3.334,5,0.419,0.73,1.0,0.6775752175998904,0.5693749571653759,0.5304811184977041,0.49494551435816597,0.568094201905284
EOS-3-48252,FC(F)c1ccc(-c2nnc3cncc(OCc4csc(-c5ccco5)n4)n23)cn1,VCBUFEGIZRYEOP-UHFFFAOYSA-N,3,1,0.529,27,786,426.408,4.419,5,0.397,0.62,1.0,0.5280224110753204,0.6659499006236721,0.5930111027345624,0.4949540812829827,0.5704843739291343
EOS-3-48253,COc1nc(-c2nnc3cncc(OCCc4cncnc4F)n23)ccc1-c1ncccn1,HCCLMMJKTJMGJN-UHFFFAOYSA-N,3,1,0.402,18,896,445.418,2.202,5,0.344,0.49,1.0,0.7846960455075046,0.5414296484134056,0.11836063326708245,0.08334761154136111,0.38195848468233845
EOS-3-48254,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)cc6)n5)n34)nc2)sc1F,LIFZRNKJMOVLAO-UHFFFAOYSA-N,3,1,0.324,10,871,473.472,4.144,6,0.379,0.57,0.667,0.010117538208484681,0.1415255979713522,0.2925604824892057,0.35031868960318,0.19863057706805565
EOS-3-48255,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccn1,KFQROCXUVVCLSD-UHFFFAOYSA-N,3,1,0.536,75,624,412.457,3.086,5,0.405,0.64,1.0,0.3647539579192653,0.14513227331916936,0.22356247001576315,0.1689654581591392,0.22560353985333426
EOS-3-48256,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)cc4)n23)cn1,ZWKGKXNVLHWNPU-UHFFFAOYSA-N,3,1,0.299,42,983,477.919,4.729,6,0.358,0.66,1.0,0.25584264272496743,0.27939311904598724,0.40006682201357,0.4456514289630594,0.34523850318689603
EOS-3-48257,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nc(C)ccc5F)ncn4)n23)cc1F,OCBPMMLHAPDROZ-UHFFFAOYSA-N,3,1,0.441,4,788,488.458,3.169,5,0.387,0.7,1.0,0.5700260434514427,0.4156671921047221,0.48218936330614764,0.3634003837982318,0.45782074566513603
EOS-3-48258,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(C)n4)n23)cc1-c1cccnc1F,GKAWLLCSDVRGSF-UHFFFAOYSA-N,3,1,0.465,87,657,475.459,3.86,5,0.327,0.67,0.998,0.7076108560071277,0.6903142348022754,0.5604653553560414,0.4330923171818244,0.5978706908368172
EOS-3-48259,OCc1cc(-c2cnnc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c2)ccc1F,IWOWTXYSEJVQJM-UHFFFAOYSA-N,3,1,0.408,54,207,478.875,2.945,5,0.376,0.57,0.999,0.5726646562949763,0.5139555205263519,0.5064337605373175,0.5581608525803577,0.5378036974847509
EOS-3-48260,COc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ncc(Cl)cn1,GYTFIJBGKAYGCT-UHFFFAOYSA-N,3,1,0.452,49,896,478.875,3.461,5,0.324,0.63,1.0,0.8714875608251662,0.7236138715646632,0.33647453909944486,0.30625042834624083,0.5594565999588788
EOS-3-48261,COc1cc(-c2csc(C)n2)ccc1-c1nnc2cncc(Oc3ccc(Cl)cc3)n12,MJADTZKRBBVYBW-UHFFFAOYSA-N,3,1,0.561,1,15,449.923,5.678,5,0.343,0.86,1.0,0.662240422178055,0.6317593036803509,0.7251045164827633,0.6689226235350558,0.6720067164690563
EOS-3-48262,Cc1cccc(COc2cncc3nnc(-c4cc(-c5nncc(C)n5)c(Cl)cc4Cl)n23)n1,CLTMCDLONUJHAZ-UHFFFAOYSA-N,3,1,0.512,4,677,479.331,4.541,5,0.362,0.7,1.0,0.5198495648002193,0.7376036597902816,0.4821979302309643,0.5283650880679871,0.567004060722363
EOS-3-48263,Cc1ccc(-c2cncc(-c3nnc4cncc(OC5CCc6ccccc65)n34)c2)nn1,CIHFOYHBNNMADL-UHFFFAOYSA-N,3,1,0.394,89,73,421.464,4.018,6,0.433,0.52,1.0,0.4697587553971626,0.3153570694263587,0.5203293125899527,0.49496264820779934,0.45010194640531836
EOS-3-48264,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)ccn2)c(C)nc1Cl,XPOYXWICLVUVIW-UHFFFAOYSA-N,3,1,0.462,75,99,479.331,4.541,5,0.362,0.67,1.0,0.6743197861695566,0.6223699540812829,0.37416044136796656,0.4298711534507573,0.5251803337673908
EOS-3-48265,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cc(F)cnc5Cl)n34)ncn2)c(C)n1,ZNGYRGIYYRWNKO-UHFFFAOYSA-N,3,1,0.333,44,971,448.849,4.24,5,0.376,0.53,0.821,0.7703378795147694,0.6463059420190529,0.5337451168528545,0.49179288602563226,0.6105454561030773
EOS-3-48266,Cc1cc(-c2cncc3nnc(-c4cc(Cl)ccc4F)n23)nc2cc(-c3ccccc3)nn12,PXMQDJSIJKWSFR-UHFFFAOYSA-N,3,1,0.34,3,298,455.884,5.269,6,0.363,0.67,0.999,0.33932732506339525,0.46884209444177916,0.6993694743334933,0.8187752724282091,0.5815785415667192
EOS-3-48267,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ncsc4Cl)n23)c(F)c1,QTYSXYDHNQVGJC-UHFFFAOYSA-N,3,1,0.473,26,563,469.933,4.545,5,0.348,0.62,1.0,0.6208707422383661,0.6132633130011651,0.41775752175998904,0.4644472620108286,0.5290847097525871
EOS-3-48268,COC(=O)c1cnc(-c2nnc3cncc(-c4cc(-c5c[nH]nn5)cc(Cl)n4)n23)c(C)c1,QEUBLGYYWIRXSC-UHFFFAOYSA-N,3,1,0.258,50,432,447.846,2.782,5,0.325,0.57,0.766,0.2152182852443287,0.20817627304502775,0.16630971146597218,0.14310191213761908,0.18320154547323692
EOS-3-48269,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cn2)cn1C,CGSPDFJEIZDVPJ-UHFFFAOYSA-N,3,1,0.452,65,986,413.445,2.307,5,0.417,0.59,1.0,0.46241690082927833,0.4062007401823042,0.04997943938044,0.02959872524158728,0.23704895140840243
EOS-3-48270,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5nnccc5-c5cncnc5)n34)ccn2)n1,NRIJWNHLDLHWCA-UHFFFAOYSA-N,3,1,0.41,80,816,476.464,2.173,6,0.346,0.54,1.0,0.3067730107600576,0.20818483996984444,0.08753683777671167,0.07640840243986019,0.16972577273661843
EOS-3-48271,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccnc(-c6ccns6)n5)n34)c2)cn1,MUZGWJAQZZUTLT-UHFFFAOYSA-N,3,1,0.386,80,34,480.517,3.444,6,0.349,0.63,1.0,0.29385408813652253,0.25373517922006716,0.10186930299499691,0.07825029127544376,0.18192721540675758
EOS-3-48272,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c(Cl)n2)nc1,UHSQDZSVHQUPLU-UHFFFAOYSA-N,3,1,0.511,24,338,464.316,4.838,5,0.344,0.65,1.0,0.6041395380714139,0.714464395860462,0.6350490028099514,0.6893033376739086,0.6607390686039339
EOS-3-48273,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5cccnn5)n34)cnn2)cn1,KAQGINKOJPNTFV-UHFFFAOYSA-N,3,1,0.415,92,182,428.416,1.554,5,0.373,0.46,1.0,0.3671012953190323,0.2234082653690631,0.07583441847714345,0.053303406209307104,0.1799118463436365
EOS-3-48274,Cc1ccc(-c2nnc3cncc(OCc4ncnnc4-c4cccc(F)n4)n23)nn1,YYTHYDLKQIDYTQ-UHFFFAOYSA-N,3,1,0.371,53,587,416.38,1.855,5,0.391,0.56,0.68,0.512276403262285,0.5139640874511685,0.05927455280652457,0.07825885820026043,0.2909434754300596
EOS-3-48275,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4c(F)cnc(F)c4Cl)n23)c1,IJASNLRUIPDTMR-UHFFFAOYSA-N,3,1,0.462,73,772,471.83,4.237,5,0.357,0.6,0.999,0.6864248509355082,0.690322801727092,0.9255619902679734,0.9193938043999725,0.8054258618326366
EOS-3-48276,Fc1cc(-c2ccno2)cnc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,SAKCDYGKKYPXSF-UHFFFAOYSA-N,3,1,0.551,13,417,408.78,4.426,5,0.434,0.82,1.0,0.8775358097457336,0.8945154547323693,0.7974864642587897,0.8168305804948256,0.8465920773079295
EOS-3-48277,Cn1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)c(Cl)c2)n1,YHBIOFBDXYVFCN-UHFFFAOYSA-N,3,1,0.38,93,107,463.932,5.574,6,0.341,0.78,1.0,0.22345109999314647,0.35875711054759785,0.7640326228497019,0.8187838393530258,0.5412561681858681
EOS-3-48278,Cc1n[nH]c(-c2cc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)cn5)n34)n(C)n2)n1,NSPYWGYEYWOHCT-UHFFFAOYSA-N,3,1,0.301,10,301,468.912,4.001,6,0.415,0.51,0.89,0.07133678294839285,0.2130337194160784,0.2702008087177027,0.3731067096155164,0.23191950517442259
EOS-3-48279,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)o5)n34)c2)s1,BHOHWDCZWSKMAW-UHFFFAOYSA-N,3,1,0.517,27,506,458.425,4.809,5,0.373,0.62,1.0,0.719955794667946,0.7328318826673977,0.872087245562333,0.722328832842163,0.7618009389349599
EOS-3-48280,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncc(C)cn1,ZYTVEGMXICNGCG-UHFFFAOYSA-N,3,1,0.443,18,717,472.94,4.184,5,0.325,0.63,1.0,0.6468113905832362,0.6514717976835035,0.18245836474539098,0.18281817558769103,0.4158899321499554
EOS-3-48281,Fc1cccc(-c2ccc(-c3nnc4cncc(-n5cnc(-c6ccc(F)c(F)c6)c5)n34)cn2)c1,XOEWYTWRXWHZMJ-UHFFFAOYSA-N,3,1,0.341,3,192,469.43,5.123,6,0.358,0.65,1.0,0.046792543348639574,0.310139812213008,0.9351740799122746,0.9481958056336097,0.560075560276883
EOS-3-48282,Cc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cccc(Cl)c5)c4)n23)n(C)n1,XUIBLLSXDVJCIH-UHFFFAOYSA-N,3,1,0.484,4,554,466.332,4.781,5,0.347,0.67,1.0,0.4161812075937222,0.555290932766774,0.602614625454047,0.6659927352477555,0.5600198752655747
EOS-3-48283,COc1ncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ncccc1C,CWNYAXPHZIENCG-UHFFFAOYSA-N,3,1,0.484,35,657,473.924,4.235,5,0.324,0.68,1.0,0.6266105818655335,0.618086491672949,0.43621924473990814,0.3534970187101638,0.5086033342471385
EOS-3-48284,COCc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ncn(C)n5)c(OC)n4)n23)cn1,DTXLTFRWJDVXKM-UHFFFAOYSA-N,3,1,0.404,31,456,474.485,1.548,5,0.307,0.57,0.809,0.20993249263244465,0.007393256116784319,0.018675896100335824,0.005431430333767391,0.060358268795833045
EOS-3-48285,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)s4)n23)s1,YUUKNAROYNOIBR-UHFFFAOYSA-N,3,1,0.318,76,272,441.545,5.044,6,0.383,0.64,1.0,0.012413474059351655,0.006793571379617573,0.2667140703173189,0.28750599684737166,0.14335677815091497
EOS-3-48286,OCc1ncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)n2)cc1F,PKEBCDJZWVDDQW-UHFFFAOYSA-N,3,1,0.3,10,952,484.43,2.662,6,0.392,0.59,0.829,0.07134534987320951,0.2033188266739771,0.3400212459735453,0.4614145706257282,0.269024998286615
EOS-3-48287,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cs2)cn1,VCQPGHXWGVRTRO-UHFFFAOYSA-N,3,1,0.5,97,214,462.897,5.158,5,0.358,0.71,1.0,0.885160372832568,0.939448975395792,0.9171664039476389,0.9183743403467891,0.915037523130697
EOS-3-48288,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6cncs6)c5)n34)nc2)n[nH]1,HRVKVANHGJOHOY-UHFFFAOYSA-N,3,1,0.381,6,280,467.518,3.982,6,0.391,0.57,0.972,0.44633678294839285,0.40620930710712083,0.30706428620382425,0.237415187444315,0.3492563909259132
EOS-3-48289,Cc1nn(C)cc1-c1nnc(-c2cncc3nnc(-c4ccnnc4-c4cccc(F)c4)n23)s1,GGFWNTRYHJZQBT-UHFFFAOYSA-N,3,1,0.333,98,63,470.497,3.615,6,0.384,0.51,1.0,0.04991090398190665,0.2081934068946611,0.0967120142553629,0.16121239120005482,0.12900717908299636
EOS-3-48290,FC(F)c1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)nn1,DNMITEFOSVMXDY-UHFFFAOYSA-N,3,1,0.49,58,819,481.854,3.646,5,0.321,0.68,1.0,0.7136334041532452,0.8059077513535742,0.40732300733328763,0.4107754780344048,0.5844099102186279
EOS-3-48291,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)o1,XHKKOBWEFKCUIG-UHFFFAOYSA-N,3,1,0.511,37,141,468.851,4.703,5,0.356,0.61,1.0,0.8793948324309506,0.772385374545953,0.8304005894044274,0.8168391474196423,0.8247549859502433
EOS-3-48292,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c(F)cn2)nn1C,TXNXXCFWYSPMIG-UHFFFAOYSA-N,3,1,0.459,27,69,466.427,3.946,5,0.374,0.55,0.999,0.5927797957645123,0.6223785210060997,0.7432663970940991,0.6078661503666644,0.6415727160578439
EOS-3-48293,Cc1cc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)cs5)n34)cn2)ccn1,SYWAHAASPFOCOI-UHFFFAOYSA-N,3,1,0.311,30,93,447.527,5.347,6,0.362,0.71,1.0,0.12121341923103283,0.16445068878075525,0.4286974847508738,0.442413131382359,0.2891936810362552
EOS-3-48294,CCc1nc(-c2nnc3cncc(OCc4cc(C#N)cs4)n23)ccc1-c1cnc(C)cn1,ZJVXTBNREOMCPN-UHFFFAOYSA-N,3,1,0.385,7,690,454.519,4.026,5,0.378,0.52,0.087,0.3531886094167638,0.3587656774724145,0.24887773284901651,0.19372387087930917,0.288638972654376
EOS-3-48295,COc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ccnc(Cl)c1,MKQXDSMBFAHRCI-UHFFFAOYSA-N,3,1,0.402,49,565,480.315,4.538,5,0.327,0.75,1.0,0.695531492015626,0.6180950585977657,0.6884894798163251,0.6689311904598725,0.6677618052223974
EOS-3-48296,Cc1ccc(-c2nnc3cncc(Cc4cc(F)c(F)cc4OCC4CC4)n23)cn1,SLFCMIPZEHBHFH-UHFFFAOYSA-N,3,1,0.417,78,9,407.424,4.153,5,0.48,0.83,0.992,0.5483859913645398,0.6223870879309163,0.6235864574052498,0.7250531149338634,0.6298531629086422
EOS-3-48297,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCc3cc(Cl)nc(Cl)c3)n12,JHSZFZWIZMWELK-UHFFFAOYSA-N,3,1,0.532,97,91,467.291,5.273,5,0.328,0.76,1.0,0.8991672949078199,0.9289459255705572,0.9362363785895415,0.9496007813035433,0.9284875950928655
EOS-3-48298,COc1cc(-c2nnco2)ccc1-c1cncc2nnc(-c3nc(C4CC4)ns3)n12,NJHBYNKHTTVBGN-UHFFFAOYSA-N,3,1,0.286,50,974,418.442,3.246,6,0.424,0.66,0.991,0.21251113700226168,0.09494722774312933,0.0063052566650675075,0.015197724624768693,0.0822403365088068
EOS-3-48299,N#Cc1cc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)ccc1F,SYQVWMBPEQSNHA-UHFFFAOYSA-N,3,1,0.38,83,558,410.387,4.67,5,0.404,0.82,1.0,0.4117435405386882,0.6707131108217395,0.973048454526763,0.97506168185868,0.7576416969364677
EOS-3-48300,Fc1cccc(C#Cc2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)nc5)n34)cn2)c1,GBLDZMFSYBZCHG-UHFFFAOYSA-N,3,1,0.354,32,20,475.512,4.911,6,0.338,0.71,1.0,0.17336885751490644,0.4732283599479131,0.7711603042971695,0.7617880885477349,0.544886402576931
EOS-3-48301,O=C(NC1CC(F)(F)C1)c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1,KDSUCUPRFNJSEM-UHFFFAOYSA-N,3,1,0.5,63,536,488.857,4.085,5,0.439,0.75,1.0,0.710617846617778,0.5846926187375779,0.9161983414433555,0.9026797340826537,0.7785471352203414
EOS-3-48302,Cc1cnc(-c2nsc(-c3nnc4cncc(-c5cccc(-c6nnnn6C)c5)n34)c2C)s1,XFUBFXJELUIZBI-UHFFFAOYSA-N,3,1,0.286,98,866,472.563,3.846,6,0.38,0.55,1.0,0.035081557124254675,0.0716708930162429,0.010297443629634707,0.01255054485641834,0.03240010965663766
EOS-3-48303,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5Cl)nn4)n23)cc1,DFRQOQGONPPWRA-UHFFFAOYSA-N,3,1,0.326,64,144,481.907,4.158,6,0.361,0.68,0.997,0.03141491330272086,0.16051847028990474,0.3780241244602837,0.4582876430676444,0.2570612877801384
EOS-3-48304,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nn2)cc1,SMSCLGPFCAWGDD-UHFFFAOYSA-N,3,1,0.357,3,115,407.397,3.089,6,0.438,0.8,1.0,0.040941333698855456,0.032040298814337606,0.23810054142964843,0.2788791035569872,0.14749031937495716
EOS-3-48305,Cc1nsc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)n1,VMIZHRRNJBDWPG-UHFFFAOYSA-N,3,1,0.494,13,145,438.875,5.203,5,0.383,0.7,1.0,0.5867743814680282,0.6659584675484888,0.6777294222465904,0.7276403262284971,0.6645256493729012
EOS-3-48306,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3cc(-c4ccc(F)nc4)ccc3F)n12,MBJVIWRRCWFHTA-UHFFFAOYSA-N,3,1,0.351,96,46,433.849,5.76,5,0.339,0.85,1.0,0.3832413816736344,0.7002604345144267,0.9738366116098965,0.9821036940579809,0.7598605304639846
EOS-3-48307,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ncccn5)c4)n23)cc1F,RUEJYFYMJLNRFL-UHFFFAOYSA-N,3,1,0.457,71,415,481.455,2.552,6,0.349,0.59,0.981,0.592788362689329,0.5461757247618395,0.20259063806456035,0.19100815571242546,0.3831407203070386
EOS-3-48308,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(Cc3ccc(Cl)cc3Cl)n12,JAUBDXZMCMDBGW-UHFFFAOYSA-N,3,1,0.407,23,225,441.215,5.847,4,0.375,0.75,1.0,0.6557466931670207,0.8588342128709479,0.9995630868343499,0.9998457953533,0.8784974470564046
EOS-3-48309,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnoc6)nc5)n34)cn2)no1,FIFFQSZINCBNBR-UHFFFAOYSA-N,3,1,0.308,86,723,409.369,2.953,6,0.428,0.69,1.0,0.25089096018093343,0.13781611952573505,0.23463950380371462,0.24019943800973204,0.2158865053800288
EOS-3-48310,CCc1nc(-c2nnc3cncc(Oc4ncc(C#N)c(C)n4)n23)ccc1-c1nc(CO)no1,AWDXUFXQUCPBGN-UHFFFAOYSA-N,3,1,0.302,31,690,456.426,2.053,5,0.394,0.52,0.677,0.3487680762113632,0.26915564389006924,0.02129737509423617,0.011282639983551505,0.16262593379480503
EOS-3-48311,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)c(Cl)c4)n23)c1,AFWYHJPJMZBSGU-UHFFFAOYSA-N,3,1,0.563,11,490,453.289,4.77,5,0.366,0.58,1.0,0.8579603865396477,0.8290213145089439,0.6968079638133096,0.7667483380165856,0.7876345007196216
EOS-3-48312,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ncnnc5-c5ccccc5)n34)cc2)c1,CEMKHWOHSJURKS-UHFFFAOYSA-N,3,1,0.38,93,107,461.916,5.631,6,0.338,0.78,1.0,0.3015728873963402,0.4062178740319375,0.7379206360084984,0.84993317798643,0.5739111438558016
EOS-3-48313,COc1ncccc1-c1cncc2nnc(-c3cc(C)nc(-c4cccnc4)c3C)n12,IAXDUJJZHJHBFO-UHFFFAOYSA-N,3,1,0.292,82,478,409.453,3.936,5,0.444,0.74,0.999,0.18774415735727504,0.08225104516482763,0.2818518264683709,0.19373243780412583,0.18639486669864985
EOS-3-48314,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)c(F)c1,VCFOABMBZPOHSB-UHFFFAOYSA-N,3,1,0.333,3,192,471.496,5.261,6,0.351,0.75,1.0,0.20435542457679393,0.3205314920156261,0.8157682818175588,0.8407151668836954,0.5453425913234186
EOS-3-48315,Cn1nnc(-c2cc(-c3cncc4nnc(-c5cc(F)cc(Cl)c5)n34)ccn2)n1,DMUUYMPMQFNLAL-UHFFFAOYSA-N,3,1,0.417,22,649,407.8,2.836,5,0.453,0.7,1.0,0.1079432526900144,0.23848605304639847,0.35145809060379685,0.5049859502433006,0.30071833664587755
EOS-3-48316,N#CCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cn4)n23)cn1,VHHFHIXJRLTNES-UHFFFAOYSA-N,3,1,0.506,4,205,410.397,2.881,5,0.415,0.72,1.0,0.5280309780001371,0.4818809540127476,0.4253478171475567,0.34384209444177916,0.4447754609005551
EOS-3-48317,Fc1ccc(-c2nnc3cncc(-c4cccc(-c5nccc(F)c5F)c4)n23)cc1Cl,OJYYLOKXIKGQCZ-UHFFFAOYSA-N,3,1,0.387,45,102,437.812,5.591,5,0.369,0.71,1.0,0.48717531354944826,0.7636813789322184,0.9846737715029813,0.992289767664999,0.8069550579124117
EOS-3-48318,Cc1cnc(-c2nc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6F)cc5)n34)ccc2F)cn1,WFQYCIGAHIHTOR-UHFFFAOYSA-N,3,1,0.367,74,423,484.47,3.598,6,0.406,0.59,0.997,0.18211568775272427,0.2033273935987938,0.6085943389760812,0.5248526488931533,0.37972251730518813
EOS-3-48319,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4ccc5ccccc5n4)n23)nc1,LNMKKDCPKQRTRJ-UHFFFAOYSA-N,3,1,0.255,76,387,406.413,2.592,6,0.441,0.79,0.999,0.09102357617709547,0.11685285449934892,0.08754540470152834,0.15574669316702078,0.11279213213624838
EOS-3-48320,FCCn1c(-c2cnc(F)cn2)nnc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,OIYOFVMUBCFSOB-UHFFFAOYSA-N,3,1,0.333,8,608,483.446,3.072,6,0.351,0.65,1.0,0.21251970392707834,0.23849461997121513,0.06728462751010897,0.1383901034884518,0.16417226372421356
EOS-3-48321,COc1ccc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ccn2)cn1,MWYFYSLBHGTLMT-UHFFFAOYSA-N,3,1,0.5,13,110,465.3,5.356,5,0.346,0.71,1.0,0.6588479199506545,0.7376122267150983,0.8592368583373312,0.8464121718867795,0.7755272942224658
EOS-3-48322,Fc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)n2)cc1F,BGKKLFAKNRNKFK-UHFFFAOYSA-N,3,1,0.326,30,203,458.453,5.515,6,0.346,0.75,1.0,0.3393358919882119,0.44240456445754234,0.6831351518059078,0.7763518607360702,0.5603068672469331
EOS-3-48323,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)n1,YSJKCVCWQFZVNZ-UHFFFAOYSA-N,3,1,0.379,50,649,408.788,2.231,5,0.446,0.67,1.0,0.30428860256322393,0.45117709546981016,0.21328216023576177,0.36340895072304846,0.3330392022479611
EOS-3-48324,COc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cn2)c(F)c1,CTVWVQDNWJXTGM-UHFFFAOYSA-N,3,1,0.553,59,89,480.862,4.768,5,0.346,0.74,1.0,0.9756785004454801,0.9733996984442465,0.9045730244671373,0.8770560619560003,0.932676821328216
EOS-3-48325,Cc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c(F)c2)nn1,YTMAGQZHTZNQBO-UHFFFAOYSA-N,3,1,0.528,27,69,482.401,4.084,5,0.345,0.72,1.0,0.7819203618669043,0.8427969296141457,0.907648550476321,0.7904358851346721,0.8307004317730108
EOS-3-48326,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccncc5F)c4)n23)nc1,WAHDUACOAOUBBD-UHFFFAOYSA-N,3,1,0.56,75,183,413.416,3.67,5,0.434,0.6,1.0,0.6320334452744842,0.5414382153382222,0.6261651017750668,0.5612535124391749,0.5902225687067371
EOS-3-48327,Cc1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cn5)n34)cn2)o1,DBLADUGDHGAOIB-UHFFFAOYSA-N,3,1,0.381,7,816,481.48,2.623,6,0.346,0.64,1.0,0.28820848468233845,0.12020252210266602,0.0417294907819889,0.020072304845452676,0.11755320060311152
EOS-3-48328,Cn1nc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4F)n23)cc1F,BDHIKFQDVQEBGF-UHFFFAOYSA-N,3,1,0.494,4,820,409.356,3.037,5,0.44,0.71,1.0,0.4672914810499623,0.4778544993489137,0.5271914193681037,0.47961928586114727,0.4879891714070317
EOS-3-48329,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1ncc(C)cn1,FJCVLTUWMGRSJM-UHFFFAOYSA-N,3,1,0.553,46,717,475.915,4.886,5,0.345,0.7,0.995,0.7529984236858337,0.7328404495922144,0.5337536837776712,0.5417637584812556,0.6403390788842437
EOS-3-48330,COc1ncc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)cc1-c1ncc(F)cn1,ZQBUVIOMCMCBJS-UHFFFAOYSA-N,3,1,0.489,65,263,480.41,3.086,5,0.347,0.63,1.0,0.8325594544582277,0.7636899458570352,0.5203378795147694,0.45508361318621066,0.6429177232540608
EOS-3-48331,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncn(CC5CC5)n4)n23)cc1,BPVKLNQBEAJISO-UHFFFAOYSA-N,3,1,0.458,63,536,404.434,1.731,5,0.499,0.83,1.0,0.3196747995339593,0.11391439928723185,0.006665067507367555,0.008232814748817764,0.11212177026934411
EOS-3-48332,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)n2)s1,GPWHVBHNSNSIIN-UHFFFAOYSA-N,3,1,0.284,76,541,453.556,5.409,6,0.355,0.71,1.0,0.06533993557672538,0.10433657734219724,0.15668048797203757,0.23430539373586456,0.1401655986567062
EOS-3-48333,Cc1cc(-c2nnc3cncc(OCc4ccsc4-c4cccnc4F)n23)ccn1,UZXQPJULQDLHEM-UHFFFAOYSA-N,3,1,0.5,75,43,418.457,4.336,5,0.395,0.68,1.0,0.7321122609827976,0.6317678706051676,0.5995305325200466,0.52486121581797,0.6220679699814955
EOS-3-48334,CCn1cc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c(-c2ccc(C)nn2)n1,YPISBGOMVNVRCW-UHFFFAOYSA-N,3,1,0.304,39,972,478.495,4.036,6,0.365,0.59,0.999,0.10317147556713042,0.14514084024398602,0.14456685628126928,0.1990867658145432,0.14799148447673224
EOS-3-48335,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)cc2F)nn1C,RDLFGCINUUGJBZ-UHFFFAOYSA-N,3,1,0.576,27,51,484.417,4.027,5,0.348,0.75,1.0,0.7076194229319444,0.7808152285655541,0.8592454252621479,0.7033188266739772,0.7627497258584058
EOS-3-48336,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nn2)n(C(F)F)n1,YOOHQEHAPJETEX-UHFFFAOYSA-N,3,1,0.301,38,193,482.458,4.272,6,0.358,0.69,1.0,0.1268076211363169,0.20820197381947775,0.31825269001439244,0.337553971626345,0.24770406414913299
EOS-3-48337,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(C)c5F)n34)c2)o1,OPEFUWOKEFVLIH-UHFFFAOYSA-N,3,1,0.575,91,655,447.445,4.963,5,0.366,0.64,1.0,0.8556387499143308,0.6707216777465561,0.8636231238434652,0.7857412103351381,0.7939311904598725
EOS-3-48338,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)cc(Cl)n2)cc1,WQXALJOWSCBSRZ-UHFFFAOYSA-N,3,1,0.688,57,732,463.875,5.406,5,0.315,0.79,1.0,0.9730056199026798,0.9779658693715304,0.9377527242820917,0.9533959289973272,0.9605300356384072
EOS-3-48340,CCn1cncc1-c1ccc(-c2nnc3cncc(-c4cc(-c5cocn5)ccc4F)n23)nc1C,UOMGKCYGPQITIF-UHFFFAOYSA-N,3,1,0.302,32,693,466.48,4.839,6,0.358,0.6,0.986,0.21805393735864573,0.2537437461448838,0.5237732163662532,0.48272051264478105,0.36957285312864097
EOS-3-48341,COc1ccc(-c2nnc3cncc(OCc4ccc5c(n4)COC5=O)n23)cc1-c1ncccn1,VLEGYQGUBKBLSY-UHFFFAOYSA-N,3,1,0.47,89,61,467.445,2.901,6,0.344,0.52,0.716,0.41391953944212184,0.2742443972311699,0.16631827839078883,0.10274312932629703,0.23930633609759439
EOS-3-48342,Cc1ncc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4ncc(Cl)cn4)n23)nc1C,FLHFJAGURNDCRN-UHFFFAOYSA-N,3,1,0.43,7,775,480.319,3.936,5,0.345,0.68,1.0,0.6292406277842506,0.680522239736824,0.14457542320608593,0.20217085874854362,0.414127287368926
EOS-3-48343,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cc(C)nn5C)ncn4)n23)ccn1,CTUCZSHSNZFWQC-UHFFFAOYSA-N,3,1,0.483,7,463,413.445,2.573,5,0.432,0.58,1.0,0.19321842231512576,0.10125248440819683,0.1295747378521006,0.06880097320265917,0.12321165444452059
EOS-3-48344,Fc1ccnc(-c2cnnc(Cc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)c1,ULFNALNFWOSRAA-UHFFFAOYSA-N,3,1,0.375,85,81,418.823,3.422,5,0.412,0.49,1.0,0.34877664313617984,0.442413131382359,0.5834932492632444,0.692310328284559,0.5167483380165856
EOS-3-48345,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5csnn5)n4)n23)cc1,AXVIRNNUPKDOEM-UHFFFAOYSA-N,3,1,0.451,89,398,488.508,3.315,6,0.371,0.77,0.998,0.3121616064697416,0.21801966965937908,0.12655918031663355,0.16634397916523885,0.20577110890274825
EOS-3-48346,Fc1cc(-c2nsc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccc1Cl,HWTXPTBWSCBIKH-UHFFFAOYSA-N,3,1,0.462,45,102,443.294,5.423,5,0.372,0.72,1.0,0.33227674593927764,0.6366338839010349,0.8192121855938592,0.929879720375574,0.6795006339524364
EOS-3-48347,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)nc2)cn1,KRLBQTIPWUKDOQ-UHFFFAOYSA-N,3,1,0.345,10,871,485.433,4.515,6,0.362,0.76,0.414,0.043888355835789185,0.15675759029538758,0.8372027277088616,0.7565279967103009,0.4485941676375848
EOS-3-48348,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)s5)n34)cn2)cs1,VEYFLKLGHBEKBC-UHFFFAOYSA-N,3,1,0.314,76,368,445.558,5.162,6,0.373,0.63,1.0,0.08163422657802755,0.18130182989514085,0.2818603933931876,0.3124271811390583,0.21430590775135358
EOS-3-48349,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)s2)n[nH]1,LODNBLGAQNXQJE-UHFFFAOYSA-N,3,1,0.293,38,865,412.438,3.96,6,0.466,0.63,1.0,0.15167740387910356,0.2438489479816325,0.3255260091837434,0.3343328078952779,0.26384629223493933
EOS-3-48350,COc1ccc(C(F)(F)F)cc1Cc1cncc2nnc(-c3cncnc3-c3cccc(F)c3)n12,WTSNACQBVLDJIK-UHFFFAOYSA-N,3,1,0.368,14,358,480.425,5.006,5,0.329,0.81,0.528,0.6437615653485025,0.685371119183058,0.9827633472688644,0.9598382564594613,0.8179335720649715
EOS-3-48351,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(=O)n(CC)s4)n23)n(C)n1,CKESDWIMBBZIJX-UHFFFAOYSA-N,3,1,0.396,31,105,451.516,2.23,5,0.373,0.51,1.0,0.06939209101500925,0.048891439928723184,0.009012404907134536,0.004283462408333904,0.03289484956480022
EOS-3-48352,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1ccc(Cl)cc1,BQRFNYHRLXIZLN-UHFFFAOYSA-N,3,1,0.576,11,111,476.899,4.671,5,0.315,0.74,1.0,0.9146477280515386,0.9365704886573916,0.7849016517031047,0.7489120005482832,0.8462579672400794
EOS-3-48353,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)ncn1,AQKFQHMDKQQDTK-UHFFFAOYSA-N,3,1,0.524,89,463,409.413,2.432,5,0.434,0.66,1.0,0.6468199575080529,0.5185902268521692,0.4472191762045096,0.3762507710232335,0.4972200328969913
EOS-3-48354,Cc1cc(Cl)nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)n1,GVHCPUSFBXJXQF-UHFFFAOYSA-N,3,1,0.446,55,565,465.304,4.233,5,0.281,0.71,1.0,0.707627989856761,0.7594407511479679,0.5064423274621342,0.5417723254060722,0.6288208484682338
EOS-3-48355,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4F)n23)n1,YTNHHBKJOUKKQE-UHFFFAOYSA-N,3,1,0.454,71,415,481.455,2.552,6,0.349,0.63,1.0,0.41618977451853884,0.49112466588993214,0.20982112260982796,0.23742375436913166,0.33863982934685766
EOS-3-48356,Cc1csc(-c2ncccc2-c2nnc3cncc(OCc4nnc(-c5nccs5)o4)n23)n1,OQUUJVXIPNROKC-UHFFFAOYSA-N,3,1,0.444,6,297,475.519,3.704,6,0.351,0.67,0.945,0.26934411623603594,0.31536563635117537,0.011556781577684874,0.008241381673634432,0.15112697895963267
EOS-3-48357,Fc1cccc(Cc2cncc3nnc(-c4ccc(Oc5cccc(F)c5)cc4F)n23)c1,GGQMRWJSYAHLOU-UHFFFAOYSA-N,3,1,0.429,57,480,432.405,5.592,5,0.363,0.73,1.0,0.7349222123226646,0.870382427523816,0.9744105955726132,0.9812727023507641,0.8902469844424645
EOS-3-48358,Fc1cc(Cl)cnc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cn3)n12,UPAVVLHVCHUDGJ-UHFFFAOYSA-N,3,1,0.256,86,953,482.87,3.955,6,0.367,0.66,0.985,0.24539099444863272,0.39658865053800285,0.4177660886848057,0.535124391748338,0.3987175313549448
EOS-3-48359,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cc(F)n2)cn1,ZAYBKUUHUJLSLU-UHFFFAOYSA-N,3,1,0.469,87,454,463.864,3.156,5,0.276,0.64,1.0,0.8171218559385923,0.8290298814337606,0.32553457610856007,0.3062589952710575,0.5694863271879926
EOS-3-48360,OCCc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)n1,UPWWIVSOIPMKAI-UHFFFAOYSA-N,3,1,0.463,59,910,478.434,3.779,5,0.356,0.65,1.0,0.787471729148105,0.7236224384894798,0.879951682544034,0.8366373106709616,0.8069207902131451
EOS-3-48361,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)cn1,OSTHRZOJHGEOFP-UHFFFAOYSA-N,3,1,0.536,75,241,414.404,2.799,5,0.391,0.61,1.0,0.8467548488794462,0.7144729627852786,0.41777465560962235,0.3921424165581523,0.5927862209581248
EOS-3-48362,Fc1ccc(CCOc2cncc3nnc(-c4cnc(Cl)c(-c5ncco5)c4)n23)nc1Cl,MDBLTLVBUPAGGZ-UHFFFAOYSA-N,3,1,0.474,87,307,472.267,4.304,5,0.337,0.66,1.0,0.8399612774998286,0.8393187581385786,0.6235950243300665,0.6866390240559249,0.7473785210060997
EOS-3-48363,Cc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1cncs1,OJYIVJLVMQEVEH-UHFFFAOYSA-N,3,1,0.444,59,445,454.437,4.615,5,0.361,0.61,1.0,0.6922674936604757,0.6659670344733054,0.8679836885751491,0.832705092180111,0.7647308272222603
EOS-3-48364,Cc1cnc(-c2cc(-c3cncc4nnc(-c5cnc(N(C)C)nc5)n34)ncn2)nn1,QUKAUTYZEBSTRD-UHFFFAOYSA-N,3,1,0.266,50,489,412.421,1.265,5,0.422,0.6,0.984,0.023293468576519774,0.004728942498800631,0.007316153793434308,0.001473511068466863,0.009203018984305394
EOS-3-48365,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cc1Cl,IXNRJXMJIHBVJO-UHFFFAOYSA-N,3,1,0.441,11,503,482.306,4.711,5,0.346,0.73,1.0,0.8146203138921253,0.7934343088205058,0.7592008772531013,0.8443989445548626,0.8029136111301488
EOS-3-48366,O=C(c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)cnc4F)n23)nc1)N1CCOCC1,MJUSGWQKOBPDEL-UHFFFAOYSA-N,3,1,0.388,63,751,487.417,2.802,5,0.323,0.78,0.998,0.1516859708039202,0.14904735796038654,0.3437392913439792,0.4362106778150915,0.2701708244808444
EOS-3-48367,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(-c5nncn5C)c4)n23)cc1,YBYSKCCJKAWMKD-UHFFFAOYSA-N,3,1,0.564,67,789,484.911,3.828,6,0.362,0.71,1.0,0.4997943938044,0.732849016517031,0.3330649030224111,0.3731152765403331,0.4847058974710438
EOS-3-48368,COc1cc(Cl)c(-c2ccc(-c3nnc4cncc(-c5cn(-c6ccccc6)nn5)n34)cn2)cn1,LBFSAICSURESAO-UHFFFAOYSA-N,3,1,0.345,10,705,481.907,4.158,6,0.361,0.67,0.999,0.09570968405181277,0.3000479747789733,0.45453532999794394,0.47073538482626276,0.3302570934137482
EOS-3-48369,COc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,MCYCLZTUJKYCOH-UHFFFAOYSA-N,3,1,0.528,35,265,465.485,4.823,5,0.343,0.64,1.0,0.8198461380302926,0.7052720855321774,0.8501816188061133,0.7904444520594888,0.791436073607018
EOS-3-48370,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(-n5ncnn5)cn4)n23)cn1,WHYXCEAPGUOLMG-UHFFFAOYSA-N,3,1,0.461,6,843,477.492,2.549,6,0.337,0.59,1.0,0.4161983414433555,0.2385031868960318,0.09940202864779658,0.07995510931396066,0.20851466657528614
EOS-3-48371,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)c(F)n1,HTYLWYVDKYEJOR-UHFFFAOYSA-N,3,1,0.484,58,698,468.855,3.535,5,0.352,0.53,1.0,0.7530069906106504,0.7636985127818519,0.5572784593242409,0.5676787060516757,0.6604156671921048
EOS-3-48372,COc1nc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ncc(Cl)cn1,JMGJXKIAAFWTPK-UHFFFAOYSA-N,3,1,0.427,18,896,478.875,3.461,5,0.347,0.58,0.999,0.8556473168391474,0.7098296895346446,0.3477229113837297,0.3343413748200946,0.5618853231444041
EOS-3-48373,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccnn5-c5cncnn5)cn4)n23)c(Cl)c1,GWNJKDQVKMVEPW-UHFFFAOYSA-N,3,1,0.301,85,81,480.923,3.777,6,0.366,0.6,0.999,0.08164279350284422,0.19888972654375986,0.37015112055376603,0.43914913302720854,0.27245819340689464
EOS-3-48374,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)cc3Cl)n12,DNKNQHSEPXYKMF-UHFFFAOYSA-N,3,1,0.743,88,222,451.914,5.329,5,0.349,0.7,1.0,0.8252433006647933,0.9102357617709547,0.8836611609896512,0.9084110067850044,0.8818878075526009
EOS-3-48375,Cn1nccc1-c1cccc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)n4)n23)c1,ZMEXUGIKILHYJW-UHFFFAOYSA-N,3,1,0.484,81,218,479.479,3.762,6,0.355,0.61,1.0,0.43017956274415736,0.3490850524295799,0.39263073127270237,0.34068089918442873,0.3781440614077171
EOS-3-48376,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cn4)n23)c1F,IZGNVZIGXCKFNN-UHFFFAOYSA-N,3,1,0.451,18,773,467.917,4.427,5,0.341,0.63,0.994,0.7321208279076142,0.7553543280104174,0.5064508943869509,0.5215286820642862,0.6288636830923171
EOS-3-48377,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cnn2)cn1,VRFDXKBPEWWGPU-UHFFFAOYSA-N,3,1,0.46,87,778,450.384,3.077,5,0.364,0.47,0.987,0.7260040435885134,0.8017356589678569,0.677737989171407,0.6893119045987253,0.7236973990816257
EOS-3-48378,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ncn(C)c5C)ccn4)n23)ccn1,NSYVMZKZRVGXRT-UHFFFAOYSA-N,3,1,0.53,7,43,412.457,3.178,5,0.437,0.63,1.0,0.2744757042012199,0.13061990267973408,0.23810910835446508,0.13181927215406758,0.19375599684737166
EOS-3-48379,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(C)nc5)n34)ncn2)nn1,OKMGSRDMLUMZTP-UHFFFAOYSA-N,3,1,0.398,31,395,412.417,2.024,5,0.422,0.58,0.151,0.430188129668974,0.1378246864505517,0.07379549037077651,0.04166095538345555,0.17086731546843945
EOS-3-48380,Cn1cncc1-c1cncc(-c2nnc3cncc(OC4Cc5ccccc5C4)n23)c1,HICZZFIQBJTGSZ-UHFFFAOYSA-N,3,1,0.429,87,328,409.453,3.133,6,0.454,0.7,1.0,0.38784182030018505,0.19889829346857651,0.5706685628126927,0.5381999177575217,0.42390214858474395
EOS-3-48381,Fc1cnc(-c2nnc3cncc(Cc4cccc(OC(F)F)c4)n23)c(Cl)c1,UXIKFSOPPXUXJQ-UHFFFAOYSA-N,3,1,0.387,66,225,405.767,4.171,4,0.498,0.82,1.0,0.7761119868412035,0.8393273250633952,0.9523250633952437,0.9650640805976287,0.8832071139743678
EOS-3-48382,N#Cc1cc(-c2ncccc2F)cc(-c2nnc3cncc(Oc4cccnc4)n23)c1,WJYFSQZPRWHFDY-UHFFFAOYSA-N,3,1,0.438,13,374,409.384,4.051,5,0.441,0.73,1.0,0.844493180727846,0.7851843602220547,0.8419745048317456,0.8286186690425604,0.8250676787060517
EOS-3-48383,Fc1cccc(-c2ccsc2-c2nnc3cncc(-c4ncnc(-c5cccnc5F)n4)n23)c1,GTUSOERDHAMPAO-UHFFFAOYSA-N,3,1,0.33,42,136,470.468,4.712,6,0.344,0.67,0.791,0.19599410595572614,0.289921869645672,0.4857360701802481,0.5957096840518128,0.39184043245836475
EOS-3-48384,FCc1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)ccn1,OLXNNIARBJQYMZ-UHFFFAOYSA-N,3,1,0.622,4,439,464.863,5.089,5,0.348,0.64,1.0,0.652748269481187,0.7808237954903707,0.8979336577342197,0.9003323966828867,0.807959529847166
EOS-3-48385,Cc1cccc(-c2cccc(COc3cncc4nnc(-c5ccc(C(C)(F)F)cc5)n34)n2)n1,BVIMYFNSCKTYCR-UHFFFAOYSA-N,3,1,0.542,1,268,458.472,5.247,5,0.346,0.72,1.0,0.732129394832431,0.6903313686519087,0.9246624631622233,0.8207542320608594,0.7919693646768556
EOS-3-48386,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)nn1,CPLDAQDFPAXURL-UHFFFAOYSA-N,3,1,0.448,53,785,411.429,2.363,5,0.415,0.62,1.0,0.519858131725036,0.24881776437529984,0.13247892536495098,0.11860050716194914,0.254938832156809
EOS-3-48387,Cc1ncc(CCOc2cncc3nnc(-c4cnnc(-c5ccnc(CF)c5)c4)n23)cn1,GFGHEOBTFCBJEG-UHFFFAOYSA-N,3,1,0.446,65,778,443.446,2.833,5,0.374,0.44,0.995,0.5700346103762594,0.460001028030978,0.23105852923034748,0.18009389349599067,0.36029701528339386
EOS-3-48388,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)c(Cl)cn5)n34)ccn2)nn1,BFVBWXZXLXMCNC-UHFFFAOYSA-N,3,1,0.505,58,241,479.331,4.275,5,0.356,0.64,1.0,0.6497498457953533,0.705280652456994,0.4957422383661161,0.5480775820711398,0.5997125796724008
EOS-3-48389,Cc1nc(-c2ccc(F)c(Cl)c2)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C,VVJVGMASLZGXQQ-UHFFFAOYSA-N,3,1,0.417,45,102,453.308,5.613,5,0.356,0.79,1.0,0.3695000342676993,0.5847011856623946,0.8450500308409293,0.9183829072716058,0.6794085395106573
EOS-3-48390,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nnc7ncccn67)no5)n34)nc2)cn1C,OSWLFUMNNXNJTA-UHFFFAOYSA-N,3,1,0.245,70,652,476.464,2.655,7,0.372,0.54,1.0,0.11883181413199918,0.07167945994105955,0.04029024741278871,0.04279178945925571,0.06839832773627579
EOS-3-48391,Fc1cc(Cl)cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)n2)c1,NSEXZUNPSNYKEB-UHFFFAOYSA-N,3,1,0.486,96,243,471.805,5.122,5,0.34,0.71,1.0,0.4029453087519704,0.6853796861078747,0.9839113151942979,0.9771091768898637,0.7623363717360017
EOS-3-48392,Cc1cc(-c2nnc3cncc(OCc4cc(F)cc(-c5cn(C)nc5C)c4)n23)ccc1Cl,CHBYOLANXDIOKQ-UHFFFAOYSA-N,3,1,0.573,43,623,462.916,5.18,5,0.36,0.72,1.0,0.6154221780549654,0.7466503323966829,0.8786409430470838,0.8464207388115962,0.7717835480775821
EOS-3-48393,CCc1nc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)ccc1-c1nc(C)no1,AHUXWLOSQJQFDD-UHFFFAOYSA-N,3,1,0.424,31,690,460.473,3.571,5,0.359,0.56,1.0,0.44380954012747587,0.39659721746281956,0.09941059557261325,0.07251901857309301,0.2530840929340004
EOS-3-48394,Fc1cc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccccn5)n4)n23)ccc1-c1cncnc1,VBIJGSWZNAPUJN-UHFFFAOYSA-N,3,1,0.333,32,809,478.466,4.574,6,0.358,0.61,1.0,0.36710986224384895,0.4600095949557947,0.7379292029333151,0.7590638064560346,0.5810281166472483
EOS-3-48395,Cc1ncncc1-c1ccc(F)c(-c2cncc3nnc(-c4cncnc4-c4ccnc(F)c4)n23)c1,BFOPIJUTAFTCIX-UHFFFAOYSA-N,3,1,0.278,94,615,479.454,4.354,6,0.344,0.66,0.65,0.2882170516071551,0.36338324994859844,0.7405249811527654,0.7304502775683641,0.5306438900692207
EOS-3-48396,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccc2F)n1,QPWBWCCRJHQLMT-UHFFFAOYSA-N,3,1,0.534,37,265,480.866,3.9,5,0.36,0.61,0.997,0.9514341032143102,0.9491553012130766,0.6721780549653896,0.7060516756904941,0.8197047837708177
EOS-3-48397,CCc1nn(C)c(C)c1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)no1,OBKNUFHBTGNSEA-UHFFFAOYSA-N,3,1,0.511,4,10,467.892,4.422,5,0.364,0.66,1.0,0.5047375094236173,0.6611781235007882,0.27020937564251934,0.3215852237680762,0.4394275580837502
EOS-3-48398,Cn1cncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c(Cl)cn2)c1=O,MWCTWLPMLZNAHT-UHFFFAOYSA-N,3,1,0.396,46,915,481.303,3.228,5,0.376,0.58,1.0,0.5612535124391749,0.4381982043725584,0.45788499760126106,0.5514015489000068,0.5021845658282502
EOS-3-48399,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)c1,LDMUYAKIPVQRNU-UHFFFAOYSA-N,3,1,0.461,57,560,451.383,4.989,5,0.278,0.79,1.0,0.8225875539716263,0.8212511137002262,0.9806987183880475,0.9818809540127476,0.901604585018162
EOS-3-48400,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)nc2Cl)c1,OUENQCICRSDMPL-UHFFFAOYSA-N,3,1,0.516,11,275,451.914,5.329,5,0.326,0.78,1.0,0.907160235761771,0.8838324994859845,0.7503683777671167,0.8187924062778426,0.8400383798231787
EOS-3-48401,Cc1c(COc2cncc3nnc(-c4cncn4C)n23)cc(-c2cnc(Cl)nn2)nc1Cl,RRZWCCVGRQMLAN-UHFFFAOYSA-N,3,1,0.357,31,828,469.296,2.966,5,0.358,0.54,0.587,0.3271108902748269,0.21802823658419573,0.1956856966623261,0.2402080049345487,0.2452582071139744
EOS-3-48402,Cc1nc(-c2ccc(Cl)c(F)c2)c(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1C,QCCDBIGHLLBWPT-UHFFFAOYSA-N,3,1,0.369,22,243,469.858,5.292,5,0.357,0.74,0.214,0.3509183743403468,0.5368720444109383,0.877270235076417,0.8797803440477007,0.6612102494688507
EOS-3-48403,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3cc(-c4ncccn4)ncn3)n12,BSKCBTJPVMJLES-UHFFFAOYSA-N,3,1,0.479,40,414,477.463,3.818,6,0.353,0.61,1.0,0.7076365567815777,0.7328575834418477,0.48912857240764857,0.4766208621753136,0.6015608937015969
EOS-3-48404,Fc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cnn2)ccn1,MASNZJFERBONDC-UHFFFAOYSA-N,3,1,0.271,70,719,437.402,2.63,6,0.413,0.42,0.853,0.20722534439037762,0.2846275101089713,0.34773147830854634,0.36660441367966556,0.3015471866218902
EOS-3-48405,CCn1nc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1-c1ccc(F)c(Cl)c1,MXFUGHRUIOSWOD-UHFFFAOYSA-N,3,1,0.462,95,998,467.867,4.58,5,0.34,0.66,1.0,0.39869611404290317,0.4511856623946268,0.7503769446919334,0.7857497772599548,0.5965021245973545
EOS-3-48406,Cn1cncc1-c1cnc(Cl)c(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c1,NBRIMABISUFIOS-UHFFFAOYSA-N,3,1,0.419,55,772,471.283,4.007,5,0.358,0.58,1.0,0.6681430333767391,0.7098382564594613,0.7803354807758207,0.7972380234391063,0.7388886985127819
EOS-3-48407,Cc1nnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)s1,YZANMUSVMGYMGC-UHFFFAOYSA-N,3,1,0.561,34,607,470.892,5.129,5,0.354,0.72,1.0,0.8813566582139675,0.9572853128640944,0.8518179014460969,0.8742375436913166,0.8911743540538688
EOS-3-48408,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)s5)n34)c(Cl)n2)n1,BDIMZYZHJGKFGA-UHFFFAOYSA-N,3,1,0.308,76,272,474.897,3.779,6,0.347,0.61,1.0,0.24264101158248236,0.33426427249674456,0.10187786991981358,0.1530481118497704,0.20795781646220274
EOS-3-48409,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)c(F)cn5)n34)ccc2F)nc1,ZOHRNMZNCRZBQM-UHFFFAOYSA-N,3,1,0.512,73,141,483.841,4.336,5,0.355,0.69,1.0,0.9552892193818107,0.9627253101226784,0.8483311630457131,0.8730039065177164,0.9098373997669797
EOS-3-48410,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)cc2Cl)c[nH]1,CTFBSPVAYMRTBC-UHFFFAOYSA-N,3,1,0.5,73,980,483.294,4.081,5,0.389,0.77,1.0,0.8813652251387842,0.7376207936399151,0.854730655883764,0.8742461106161332,0.8369906963196492
EOS-3-48411,COc1ncccc1-c1ccc(-c2nnc3cncc(COc4ccccc4)n23)cc1,YILUAQULXLEZHU-UHFFFAOYSA-N,3,1,0.432,79,18,409.449,4.441,5,0.413,0.82,1.0,0.33467548488794463,0.31014837913782467,0.652979576451237,0.5417808923308889,0.45989608320197384
EOS-3-48412,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)nc5)n34)cc2)n1,VIXLRRZAMFQRGS-UHFFFAOYSA-N,3,1,0.333,38,57,408.381,3.558,6,0.431,0.76,1.0,0.242649578507299,0.15676615722020423,0.3145003769446919,0.3028493591940237,0.2541913679665547
EOS-3-48413,FCc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)c(F)n4)n23)cn1,FZKHKJAYRHTGSA-UHFFFAOYSA-N,3,1,0.451,49,773,463.423,4.013,5,0.337,0.57,1.0,0.8198547049551093,0.7594493180727846,0.6502295935850867,0.6314594613117676,0.715248269481187
EOS-3-48414,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncn5)cc4Cl)n23)cc1F,FUVMRNZUBRZRQD-UHFFFAOYSA-N,3,1,0.324,62,341,485.91,4.6,6,0.39,0.73,1.0,0.3042971694880406,0.3684291686656158,0.6176838462065657,0.7304588444931808,0.5052172572133506
EOS-3-48415,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(C#N)c4)n23)cc1,IHXWWWURDSYLSR-UHFFFAOYSA-N,3,1,0.489,0,646,402.845,3.267,4,0.565,0.84,1.0,0.3809540127475841,0.4202419299568227,0.7951391268590227,0.7410903981906655,0.5843563669385238
EOS-3-48416,Cc1ccccc1-c1cnc(-c2nnc3cncc(-c4cccc(-c5ccc(F)nc5)c4)n23)cn1,NUIUXWQRSSYXGS-UHFFFAOYSA-N,3,1,0.276,30,737,459.488,5.425,6,0.327,0.74,1.0,0.22639812213008018,0.315374203275992,0.7803440477006374,0.7950448906860393,0.5292903159481872
EOS-3-48417,Fc1cc(-c2ccncc2F)cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,WVIHDGOPYOOJSP-UHFFFAOYSA-N,3,1,0.545,88,141,464.863,4.801,5,0.359,0.59,1.0,0.9086337468302378,0.9061579055582208,0.8989359879377699,0.9162411760674388,0.9074922040984168
EOS-3-48418,CCn1cc(-c2cccc(-c3nnc4cncc(Cc5ccc(C)nc5)n34)c2)c(C)n1,IXUNOQVHGNPFHN-UHFFFAOYSA-N,3,1,0.355,14,81,409.497,4.277,5,0.433,0.79,1.0,0.12406620519498321,0.032048865739154275,0.33307346994722775,0.24323212939483244,0.1831051675690494
EOS-3-48419,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4scnc4-c4cccs4)n23)nn1,KMAMSNKZMLUFCP-UHFFFAOYSA-N,3,1,0.272,86,935,443.521,3.834,6,0.408,0.49,0.972,0.04680111027345624,0.052643752998423686,0.040298814337605376,0.06068809540127476,0.05010794325269002
EOS-3-48420,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)s5)n34)cn2)nn1,IJHPVLZRFLOHDR-UHFFFAOYSA-N,3,1,0.312,76,368,468.933,5.087,6,0.355,0.67,1.0,0.1960026728805428,0.3443218422315126,0.49927181139058324,0.577110890274827,0.4041768041943664
EOS-3-48421,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCc3ccc(-c4ncccn4)cn3)n12,PVRFCGWKKBIVKY-UHFFFAOYSA-N,3,1,0.517,40,25,477.463,3.818,6,0.353,0.6,1.0,0.6588564868754712,0.7376293605647317,0.5772308272222603,0.5351329586731547,0.6272124083339045
EOS-3-48422,Cc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(COc3ccc(F)cn3)n12,WKOBJBGFIUPHIY-UHFFFAOYSA-N,3,1,0.379,36,351,416.42,3.008,5,0.435,0.5,1.0,0.3716503323966829,0.40622644095675414,0.41778322253443906,0.3471060927969296,0.38569152217120145
EOS-3-48423,CCSc1ncc(Cc2cncc3nnc(-c4cc(F)cnc4-c4ccc(F)cc4)n23)nn1,IGJKXBKFJPVCKA-UHFFFAOYSA-N,3,1,0.324,85,81,462.489,4.019,5,0.349,0.54,0.907,0.2827684874237544,0.3919025426632856,0.2594750188472346,0.3794805016791173,0.328406637653348
EOS-3-48424,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cc2Cl)ns1,FYGBETALEHGVBF-UHFFFAOYSA-N,3,1,0.578,35,619,454.968,4.955,5,0.361,0.66,1.0,0.6743283530943732,0.7973922280858063,0.31068809540127473,0.37312384346514976,0.538883130011651
EOS-3-48425,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccn1,UKASBLRZUPYXAQ-UHFFFAOYSA-N,3,1,0.477,55,420,420.383,2.839,5,0.404,0.51,1.0,0.6379788910972517,0.48648995956411484,0.5706771297375094,0.5049945171681174,0.5500351243917483
EOS-3-48426,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cnn2)ccc1F,HIIMBGYOWIOBOA-UHFFFAOYSA-N,3,1,0.452,59,772,449.396,3.948,5,0.375,0.5,1.0,0.7291738057706806,0.7328661503666644,0.8966914536358029,0.869894112809266,0.8071563806456035
EOS-3-48427,Cc1cc(Cl)nc(COc2ncccc2-c2cncc3nnc(-c4ccc(C)nc4)n23)c1,MBZIYAMLPACMIO-UHFFFAOYSA-N,3,1,0.371,82,205,443.898,4.493,5,0.369,0.57,1.0,0.4184600095949558,0.5185987937769858,0.5134843396614351,0.4488211911452265,0.4748410835446508
EOS-3-48428,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c(Cl)cn1,ZONLNERZKAXFFY-UHFFFAOYSA-N,3,1,0.488,24,912,456.318,4.591,5,0.357,0.65,1.0,0.6743369200191899,0.6805308066616408,0.6086029059008978,0.6718439448975396,0.658828644369817
EOS-3-48429,Fc1cc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)c(Cl)cc1Cl,NKLZXKTXARMOOQ-UHFFFAOYSA-N,3,1,0.542,59,962,467.291,5.273,5,0.328,0.75,1.0,0.8775443766705503,0.9081796998149544,0.9604979096703448,0.9680539373586458,0.9285689808786238
EOS-3-48430,Cc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nc2)nn1,SZJOSPDFRCNGQZ-UHFFFAOYSA-N,3,1,0.524,6,843,480.517,3.444,6,0.349,0.66,1.0,0.39658865053800285,0.4110838873278048,0.1265677472414502,0.1007042012199301,0.258736121581797
EOS-3-48431,N#Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)cnc2Cl)cc1F,ZHFIRPRNKOQAQZ-UHFFFAOYSA-N,3,1,0.433,65,779,474.847,2.719,5,0.337,0.57,1.0,0.7986686998834899,0.8759594955794668,0.4992803783153999,0.5581694195051744,0.6830194983208828
EOS-3-48432,Cc1nc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)ccc1-c1ccccc1,YGEVXQXRNJYGTB-UHFFFAOYSA-N,3,1,0.449,57,198,445.885,5.533,5,0.355,0.72,1.0,0.8421629771777123,0.8174131313823589,0.889469536015352,0.9038876704818039,0.8632333287643067
EOS-3-48433,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5nc(Cl)ncc5F)n34)c2)ccn1,OSUWDECEHCADSO-UHFFFAOYSA-N,3,1,0.396,18,367,466.839,3.591,5,0.276,0.68,1.0,0.7076451237063943,0.6951117126996094,0.560473922280858,0.6140514700842985,0.64432055719279
EOS-3-48434,Cc1ncc(CCOc2cncc3nnc(-c4ccnc(-c5cccc(Cl)c5F)c4)n23)s1,HDXXKEDOPNHUQV-UHFFFAOYSA-N,3,1,0.539,11,429,466.929,5.032,5,0.349,0.72,1.0,0.8067987115345076,0.7808323624151875,0.6236035912548832,0.6689397573846891,0.7200436056473168
EOS-3-48435,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c1,IIXBELWSZUPWBE-UHFFFAOYSA-N,3,1,0.561,24,338,456.318,4.591,5,0.357,0.62,1.0,0.4971043794119663,0.6853882530326914,0.5337622507024878,0.6373877732849017,0.5884106641080118
EOS-3-48436,Cc1nc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)n1,FGLLJLXRBUVWMF-UHFFFAOYSA-N,3,1,0.462,18,531,479.331,4.275,5,0.333,0.67,1.0,0.7291823726954972,0.695120279624426,0.48220649715578096,0.5382084846823384,0.6111794085395107
EOS-3-48437,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1Cl,GYUZZPAEAORKMS-UHFFFAOYSA-N,3,1,0.511,26,490,484.322,4.654,5,0.349,0.76,1.0,0.8399698444246453,0.7808409293400042,0.8120759372215749,0.8480655883763965,0.8202380748406553
EOS-3-48438,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cc1,NPDKJCNBARMXRI-UHFFFAOYSA-N,3,1,0.397,69,30,444.473,5.721,6,0.348,0.76,1.0,0.33934445891302856,0.5322030703858543,0.8860598999383181,0.9050870399561374,0.6656736172983346
EOS-3-48439,Cc1ncc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)cn1,WUDUQYZLXCJEKL-UHFFFAOYSA-N,3,1,0.667,1,996,478.434,4.876,5,0.33,0.75,1.0,0.9812555685011308,0.9788482626276471,0.9562230141868275,0.9194023713247893,0.9589323041600988
EOS-3-48440,Cc1cc(-c2nnc3cncc(OCc4ccccc4-c4cccnc4F)n23)ccc1Cl,QOAILPYIOHNBHD-UHFFFAOYSA-N,3,1,0.541,1,709,445.885,5.533,5,0.333,0.79,0.999,0.9514426701391269,0.9555033925022274,0.9362449455143582,0.9343259543554245,0.9443792406277842
EOS-3-48441,C#Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)c(F)n1,AKQLXMYZPIMHPI-UHFFFAOYSA-N,3,1,0.537,15,320,440.442,2.724,5,0.296,0.59,1.0,0.9071688026865876,0.7723939414707697,0.3364831060242615,0.26981529710095264,0.5714652868206429
EOS-3-48442,CCn1ccnc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4ncnn4C)cc3OC)n12,VYKBDMCUPCPFRG-UHFFFAOYSA-N,3,1,0.319,98,882,478.52,3.541,6,0.357,0.62,0.99,0.08602905900897814,0.012327804811184976,0.10978514152559797,0.07441230895757658,0.07063857857583442
EOS-3-48443,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)ncc4F)n23)cc1,XWFWAYNTXFXTQT-UHFFFAOYSA-N,3,1,0.48,89,731,488.458,3.061,5,0.354,0.74,1.0,0.5457645123706394,0.21803680350901242,0.23106709615516413,0.17446542389143993,0.29233345898156393
EOS-3-48444,Cn1nc(CCCc2cccc(F)c2)nc1-c1cncc2nnc(-c3ccc(C(F)F)cc3)n12,GBYXAMBQFDOFQB-UHFFFAOYSA-N,3,1,0.368,61,316,463.467,4.839,5,0.345,0.71,1.0,0.2614539784798849,0.46001816188061134,0.5741038996641765,0.6837434034678912,0.49482986087314096
EOS-3-48445,c1cnc(-c2ccncc2)c(-c2nnc3cncc(-c4ccc(-c5ccon5)s4)n23)c1,ZHTRILNEAOJWQA-UHFFFAOYSA-N,3,1,0.333,32,368,423.461,4.632,6,0.408,0.58,0.996,0.08603762593379481,0.13412377492975122,0.35888561441984784,0.3981820985539031,0.24430727845932423
EOS-3-48446,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nn5)n34)cc2F)s1,YAUKBTDVSQJELD-UHFFFAOYSA-N,3,1,0.523,37,482,469.893,3.217,5,0.369,0.52,1.0,0.7761205537660202,0.8461722979919128,0.10979370845041464,0.17182681104790623,0.4759783428140634
EOS-3-48447,Cc1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)n1,UOXZOWDRCGNIHY-UHFFFAOYSA-N,3,1,0.511,40,25,479.529,4.049,6,0.349,0.7,1.0,0.41620690836817215,0.41567575902953874,0.12136762387773285,0.12953190322801728,0.27069554862586526
EOS-3-48448,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cncc(-c4c(C)n[nH]c4C)n3)n12,JQFNCJNQSXYVDK-UHFFFAOYSA-N,3,1,0.297,52,295,481.52,3.156,6,0.377,0.67,0.353,0.13518607360701804,0.094955794667946,0.05928311973134124,0.045413268453156054,0.08370956411486534
EOS-3-48449,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccnc(Cl)c5)n4)n23)cc1,BYLFAKNCTCWKIW-UHFFFAOYSA-N,3,1,0.391,14,319,487.926,4.381,5,0.357,0.8,1.0,0.32711945719964364,0.32950106229867726,0.5638321568089918,0.5318346926187376,0.4380718422315126
EOS-3-48450,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nc3)n12,UYSDSTPBDRUSRP-UHFFFAOYSA-N,3,1,0.5,55,710,451.899,3.946,5,0.358,0.55,1.0,0.6468285244328695,0.6034970187101638,0.3741690082927832,0.31851826468370914,0.4857532040298814
EOS-3-48451,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)nc5F)n34)cnn2)c1,GIHSCPXBICQYKW-UHFFFAOYSA-N,3,1,0.436,87,778,467.827,2.986,5,0.371,0.47,0.993,0.7500085669248167,0.7682304160098691,0.4000753889383867,0.4918014529504489,0.6025289562058803
EOS-3-48452,Cc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nc(C)c(F)s1,HXCKQLXGKRYUGF-UHFFFAOYSA-N,3,1,0.457,18,690,465.489,4.221,5,0.371,0.57,1.0,0.570043177301076,0.5552994996915908,0.3255431430333767,0.2936142142416558,0.4361250085669248
EOS-3-48453,c1ccc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)o5)n34)c2)cc1,DTKBSIYFBPELRR-UHFFFAOYSA-N,3,1,0.319,30,93,416.444,5.175,6,0.394,0.78,0.998,0.05303783153999041,0.038062846960455074,0.6559180316633542,0.695120279624426,0.3605347474470564
EOS-3-48454,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc(CC(C)C)n1,GQEJOJLBTRWUKD-UHFFFAOYSA-N,3,1,0.402,31,457,409.881,3.716,4,0.479,0.7,1.0,0.4415050373517922,0.5647916523884586,0.19231032828455896,0.15575526009183743,0.3385905695291618
EOS-3-48455,Cc1nc(-c2ccccc2)nc(-c2cncc3nnc(-c4cc(F)ncc4-c4ccccc4)n23)n1,RYJBSLIZLTZCJM-UHFFFAOYSA-N,3,1,0.368,30,757,460.476,4.82,6,0.348,0.63,1.0,0.329843739291344,0.36843773559043247,0.40360496196285384,0.47662942910013023,0.39462896648619017
EOS-3-48456,CCOc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,IOCPHSQZOZXDPT-UHFFFAOYSA-N,3,1,0.453,58,710,474.912,3.712,5,0.332,0.61,0.984,0.5227023507641697,0.5051487218148174,0.19916386813789322,0.19101672263724215,0.35450791583853064
EOS-3-48457,COc1cccc(COc2cncc3nnc(-c4cc(Cl)c(F)c(-c5ccccn5)c4)n23)c1,GHCJKRJOBKTXFO-UHFFFAOYSA-N,3,1,0.506,1,709,461.884,5.233,5,0.344,0.67,1.0,0.9514512370639435,0.92546775409499,0.9238143376053731,0.895012336371736,0.9239364162840107
EOS-3-48458,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)c1Cl,NKUGDDHTIPMGSD-UHFFFAOYSA-N,3,1,0.544,11,595,460.9,4.971,5,0.356,0.6,1.0,0.9429357137961757,0.9447604687821259,0.8018298951408402,0.8101569460626413,0.8749207559454458
EOS-3-48459,CC1CCCN1C(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)nn5)n4)n23)cc1,DLGPRSCXJJYKHK-UHFFFAOYSA-N,3,1,0.369,52,821,481.495,3.469,6,0.383,0.57,1.0,0.12983174559660066,0.12389486669864985,0.02130594201905284,0.06069666232609142,0.0839323041600987
EOS-3-48460,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(-c6noc(C)n6)ncn5)n34)c2)nn1,XKAURZRSFYVMEY-UHFFFAOYSA-N,3,1,0.426,71,843,479.464,2.679,6,0.345,0.63,1.0,0.32458364745390994,0.2438575149064492,0.05742409704612432,0.04032451511205538,0.1665474436296347
EOS-3-48461,Cc1c(F)cncc1Cc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,JHNURBSJRRFKMY-UHFFFAOYSA-N,3,1,0.371,63,505,403.421,2.512,5,0.55,0.79,0.999,0.14035192927146872,0.15677472414502092,0.1295833047769173,0.17706976903570695,0.15094493180727847
EOS-3-48462,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cncc(F)c1,MJXSXLKDDXQPNJ-UHFFFAOYSA-N,3,1,0.484,87,657,477.887,4.066,5,0.346,0.65,1.0,0.7986772668083065,0.7934428757453225,0.6206223014186828,0.5866287437461449,0.6998427969296142
EOS-3-48463,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6C)s5)n34)cn2)cn1,WZMNARXNWPFXMH-UHFFFAOYSA-N,3,1,0.302,32,392,462.542,5.051,6,0.362,0.64,1.0,0.13264169693646768,0.1605270372147214,0.38541738057706804,0.3185268316085258,0.2492782365841957
EOS-3-48464,c1cncc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5nnc6cnccc6n5)c4)n23)c1,AIELFOHAAREJDT-UHFFFAOYSA-N,3,1,0.259,64,495,481.483,3.711,7,0.366,0.62,1.0,0.14036049619628538,0.10796895346446439,0.1889520937564252,0.26718525118223563,0.17611669864985263
EOS-3-48465,c1cnc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)n2)cn1,HBHUYACWDOLYHB-UHFFFAOYSA-N,3,1,0.329,8,927,410.361,1.274,6,0.413,0.68,1.0,0.05304639846480707,0.04171235693235556,0.019575423206085945,0.025837845247070113,0.03504300596257967
EOS-3-48466,COc1ncc(F)cc1COc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(C)n3)n12,ZBKFJXDJIIDWOF-UHFFFAOYSA-N,3,1,0.4,46,775,478.875,3.727,5,0.36,0.6,1.0,0.7586440271400178,0.6412428894524022,0.3291326845315605,0.27888767048180385,0.5019768179014461
EOS-3-48467,Cc1ccc(-c2cccc(-c3nnc4cncc(COc5cccc(C)n5)n34)c2)nn1,DFRLUJRWXMKKFB-UHFFFAOYSA-N,3,1,0.343,14,351,409.453,3.839,5,0.435,0.71,1.0,0.28277705434857103,0.22847988486053047,0.3553389075457474,0.25502021794256735,0.28040401617435406
EOS-3-48468,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(C)n(C)n5)n34)cnn2)cn1,ABAFAGAELRBQNB-UHFFFAOYSA-N,3,1,0.418,92,105,414.433,1.968,5,0.425,0.57,1.0,0.1516945377287369,0.0917603317113289,0.05172709204304023,0.024895483517236652,0.08001936125008566
EOS-3-48469,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(C)c4Cl)n23)nc1C,DSMWJVWXIZWKOJ-UHFFFAOYSA-N,3,1,0.412,31,908,475.944,3.751,5,0.35,0.6,0.997,0.4301966965937907,0.3778956205880337,0.10706942635871428,0.11399150161058187,0.2572883112877801
EOS-3-48470,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6cnc(F)cn6)nc5)n34)cn2)c(F)c1,UJTLBPGKHBENAP-UHFFFAOYSA-N,3,1,0.359,42,106,483.417,4.185,6,0.368,0.64,1.0,0.3603077239394147,0.5847097525872113,0.75038551161675,0.7763604276608869,0.6179408539510658
EOS-3-48471,Fc1ccnc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(Cl)nc5)c4)n23)c1,XXYKZXDMWJPGIQ-UHFFFAOYSA-N,3,1,0.479,87,778,448.849,3.452,5,0.364,0.46,0.936,0.7378521006099651,0.8617898019326983,0.5572870262490577,0.6169128229730656,0.6934604379411966
EOS-3-48472,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(F)s5)n34)c2)cs1,XCGNYUYXDJWPHR-UHFFFAOYSA-N,3,1,0.529,4,92,441.488,5.142,5,0.378,0.65,1.0,0.6652217120142554,0.6514803646083202,0.7200757316153793,0.6718525118223563,0.6771575800150779
EOS-3-48473,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cc(-c4cscn4)ncn3)n12,LJSXKZMLUKCXJL-UHFFFAOYSA-N,3,1,0.468,27,354,456.413,3.756,5,0.356,0.56,1.0,0.6011668151600301,0.732874717291481,0.6415512987458022,0.5450620245356727,0.6301637139332465
EOS-3-48474,Cc1ncc(-c2cc(F)c(Cl)c(COc3cncc4nnc(-c5ccc(CO)cn5)n34)c2)cn1,AODJSSORCFVLKG-UHFFFAOYSA-N,3,1,0.4,46,969,477.887,3.816,5,0.393,0.58,1.0,0.7586525940648345,0.6903399355767253,0.8192207525186759,0.7565365636351176,0.7561874614488384
EOS-3-48475,Clc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,QIHPHLWGMCCHNU-UHFFFAOYSA-N,3,1,0.326,32,174,457.906,5.285,6,0.355,0.69,0.988,0.2666284010691522,0.42025049688163935,0.67518504557604,0.7198101569460627,0.5204685251182235
EOS-3-48476,c1ccc(OCc2ccc(-c3nnc4cncc(CCc5ccccn5)n34)nc2)cc1,YHHOJTCMDNAPEO-UHFFFAOYSA-N,3,1,0.368,14,886,408.465,3.946,5,0.406,0.84,0.998,0.2641354259475019,0.1490559248852032,0.37417757521759987,0.36971420738811595,0.2892707833596052
EOS-3-48477,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cnn(-c5ccc(F)cn5)c4)n23)ccn1,VNFUWDNSYKUWRY-UHFFFAOYSA-N,3,1,0.416,75,624,482.483,3.369,6,0.34,0.69,1.0,0.34176889863614557,0.3392587896648619,0.31069666232609144,0.2610170653142348,0.3131853539853334
EOS-3-48478,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccc5Cl)cn4)n23)s1,VNMVGNUHFSZZAV-UHFFFAOYSA-N,3,1,0.306,70,687,470.949,5.031,6,0.359,0.71,0.912,0.1298403125214173,0.20333596052361044,0.3627921321362484,0.45205948872592694,0.28700697347680076
EOS-3-48479,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cccc(-n4ccc(-c5cnsc5)n4)n3)n12,BMXRFZOWLAFCPO-UHFFFAOYSA-N,3,1,0.295,32,139,479.529,3.57,6,0.4,0.54,0.962,0.01642279487355219,0.03205743266397094,0.2165975601398122,0.16357686244945516,0.10716366253169762
EOS-3-48480,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(Cl)cn2)ccn1,HDODQRJEMLTWOQ-UHFFFAOYSA-N,3,1,0.473,35,429,478.343,4.88,5,0.344,0.7,1.0,0.822596120896443,0.7851929271468714,0.7070111712699609,0.7384517853471317,0.7633130011651017
EOS-3-48481,COn1cnc(-c2cc(-c3nnc4cncc(CCCc5ccccc5)n34)nn2C)c1,GRMDODVBTQFYQY-UHFFFAOYSA-N,3,1,0.467,52,54,414.473,2.622,5,0.407,0.62,0.594,0.14036906312110206,0.029144678226303886,0.07380405729559317,0.07048865739154273,0.07845161400863546
EOS-3-48482,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1F,QWFMQHSSLZXVCD-UHFFFAOYSA-N,3,1,0.489,37,908,482.882,4.018,5,0.345,0.69,1.0,0.7761291206908368,0.7637070797066685,0.5271999862929203,0.5986395723391131,0.6664189397573848
EOS-3-48483,Cc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc(-c2ccc(F)cn2)n1,JCRXGLRIIDPOEN-UHFFFAOYSA-N,3,1,0.478,24,89,465.851,4.462,5,0.354,0.57,1.0,0.8794033993557673,0.7766260023302035,0.8265454732369268,0.8125985196353916,0.8237933486395723
EOS-3-48484,Cc1ccc(-c2nnc3cncc(Oc4cnc(Cl)c(-c5cccc(F)c5)c4)n23)cc1,MURBAGGVBIAGGP-UHFFFAOYSA-N,3,1,0.494,57,417,431.858,5.747,5,0.339,0.82,1.0,0.9429442807209923,0.9334949626482077,0.9362535124391749,0.9419590843670756,0.9386629600438627
EOS-3-48485,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cs2)nc1,IZLHZARPGMZNKR-UHFFFAOYSA-N,3,1,0.449,55,62,453.89,4.385,5,0.364,0.59,1.0,0.6681516003015557,0.584718319512028,0.5474950311836063,0.5450705914604893,0.5863588856144198
EOS-3-48486,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6F)c5)n34)cc2)c1,ISVFXPCFZSQCFY-UHFFFAOYSA-N,3,1,0.333,93,68,446.489,5.759,6,0.346,0.77,1.0,0.03383935302583785,0.27940168597080395,0.887199300938935,0.8977880200123364,0.5245570899869783
EOS-3-48487,Fc1ccnc(CCOc2cncc3nnc(-c4cnnc(-c5ccsc5)c4)n23)c1F,PVZDCVYPGGOWPX-UHFFFAOYSA-N,3,1,0.474,87,778,437.435,3.605,5,0.401,0.46,0.995,0.6379874580220684,0.5987852100609965,0.5337708176273045,0.5676872729764924,0.5845576896717154
EOS-3-48488,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(C)c5)c4)n23)cc1,AYXKPIJXSNCOOW-UHFFFAOYSA-N,3,1,0.628,97,656,408.465,4.444,5,0.428,0.81,1.0,0.665230278939072,0.38268453156055104,0.7120827907614283,0.6015523267767802,0.5903874820094579
EOS-3-48489,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cncn5C)nnc4C)n23)cn1,FNSGSFGWLLFZGH-UHFFFAOYSA-N,3,1,0.494,92,185,413.445,2.573,5,0.432,0.6,1.0,0.3671184291686656,0.22848845178534713,0.14165410184360222,0.08506956342951134,0.20558263655678155
EOS-3-48490,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)cn4)n23)cn1,ZRYLQLWFUSVJOE-UHFFFAOYSA-N,3,1,0.418,6,843,480.467,3.157,6,0.331,0.63,1.0,0.467300047974779,0.4511942293194435,0.3701596874785827,0.3028579261188404,0.39787797272291137
EOS-3-48491,COc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)c(F)cn3)n12,YUVRGVVYSLMQPQ-UHFFFAOYSA-N,3,1,0.479,65,324,478.875,3.461,5,0.347,0.59,1.0,0.7136419710780618,0.7052892193818107,0.41391953944212184,0.37625933794805017,0.5522775169625112
EOS-3-48492,COc1ncc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cc1-c1ccc(Cl)cn1,VJJNNUDIJLSWAO-UHFFFAOYSA-N,3,1,0.402,2,94,481.303,3.933,5,0.356,0.68,1.0,0.6181378932218491,0.6268504557604002,0.4578935645260777,0.46142313755054487,0.541076262764718
EOS-3-48493,O=C1c2ccc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)CC(F)CN1cc2F,LSWZBQPWRNEWAN-UHFFFAOYSA-N,3,1,0.417,78,792,460.366,3.91,5,0.542,0.52,0.005,0.31470598314029197,0.4778630662737304,0.8547392228085806,0.7565451305599342,0.6009633506956342
EOS-3-48494,CCn1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5C)c(F)c4)n23)cn1,OYJFPOHTQKPUBR-UHFFFAOYSA-N,3,1,0.318,63,792,405.437,2.952,5,0.551,0.72,1.0,0.07945822767459393,0.15678329106983757,0.4545438969227606,0.3666129806044822,0.26434959906791855
EOS-3-48495,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)c(F)cn2)c(F)cn1,HVDSJHSEVCBYMA-UHFFFAOYSA-N,3,1,0.511,59,89,452.371,4.384,5,0.291,0.67,1.0,0.8831471455006511,0.8920396134603523,0.9544667945994106,0.9521622918237269,0.9204539613460353
EOS-3-48496,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnc(C)n5C)cc4)n23)nc1,ZAQGWGOMVYKVQE-UHFFFAOYSA-N,3,1,0.298,98,193,476.548,4.149,6,0.368,0.64,1.0,0.12681618806113357,0.07168802686587622,0.08015214858474402,0.062075937221574944,0.0851830751833322
EOS-3-48497,CC(C)n1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)c1,QBGGKKYKSYWGCF-UHFFFAOYSA-N,3,1,0.483,1,22,444.926,5.468,5,0.347,0.75,1.0,0.586782948392845,0.6514889315331369,0.82473785210061,0.7790418751285039,0.7105129017887739
EOS-3-48498,Fc1cccc(-c2nscc2COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,SGKOVCMHOWWSQR-UHFFFAOYSA-N,3,1,0.56,57,146,455.877,5.425,5,0.354,0.75,1.0,0.8691573572750325,0.9335035295730245,0.90006682201357,0.9360564731683915,0.9096960455075046
EOS-3-48499,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccccn5)c4)n23)c(Cl)cn1,GTQCACHPEDYUIE-UHFFFAOYSA-N,3,1,0.5,59,89,467.291,5.273,5,0.328,0.75,1.0,0.9521194571996436,0.962733877047495,0.929802618052224,0.9482043725584264,0.9482150812144473
EOS-3-48500,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cncc(=N)[nH]1,CPVOOLBFXAPEDJ-UHFFFAOYSA-N,3,1,0.406,46,717,459.901,3.246,5,0.372,0.58,0.653,0.4945428688917826,0.41568432595435545,0.3218593653622096,0.2875145637721883,0.37990028099513395
EOS-3-48501,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccc6C)cc5)n34)cc2)nn1,IQOFPUKXAIJYOA-UHFFFAOYSA-N,3,1,0.309,69,898,455.525,5.594,6,0.344,0.76,1.0,0.14894455486258654,0.13062846960455074,0.6529881433760537,0.6046021520115139,0.38429082996367625
EOS-3-48502,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)c2)c1,HEAFUPUOFZALJN-UHFFFAOYSA-N,3,1,0.44,87,838,445.874,3.017,5,0.388,0.44,1.0,0.5535090124049071,0.6753735179220067,0.23811767527928174,0.2817318895209376,0.4371830237817833
EOS-3-48503,Fc1cncc(F)c1COc1cncc2nnc(-c3cncc(-c4ncon4)c3)n12,NUODIKZQFZMQOQ-UHFFFAOYSA-N,3,1,0.488,2,491,408.328,2.488,5,0.432,0.75,1.0,0.6292491947090673,0.4732369268727298,0.5304896854225207,0.5151377561510521,0.5370283907888425
EOS-3-48504,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnnc(-c5ncccn5)n4)n23)c(F)c1,DGCZQUKIRXALRV-UHFFFAOYSA-N,3,1,0.282,39,972,467.403,2.836,6,0.381,0.44,0.835,0.29661263792748954,0.32054005894044274,0.19569426358714276,0.3155027071482421,0.2820874169008293
EOS-3-48505,Fc1ccc(F)c(-n2cnc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)c1F,VNWUPBXQTQODFL-UHFFFAOYSA-N,3,1,0.314,22,681,428.765,3.505,5,0.323,0.56,0.871,0.0884106641080118,0.42911726406689055,0.7910184360222055,0.8755996847371668,0.5460365122335686
EOS-3-48506,COCCN(C)c1ncc(-c2nnc3cncc(-c4ccc(-c5cnc(C)cn5)cc4OC)n23)cn1,IQPDWLSRJSGEHP-UHFFFAOYSA-N,3,1,0.286,82,974,483.536,3.105,5,0.326,0.71,1.0,0.14037763004591872,0.00817284627510109,0.07381262422040984,0.02584641217188678,0.06205237817832911
EOS-3-48507,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)nnc4F)n23)cc1,QSRWXVDVUJKKED-UHFFFAOYSA-N,3,1,0.462,71,49,481.455,2.552,6,0.349,0.58,1.0,0.6379960249468851,0.47324549379754643,0.20982968953464465,0.1910252895620588,0.3780241244602837
EOS-3-48508,Fc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)c1F,BRIKCMWLMKENCR-UHFFFAOYSA-N,3,1,0.321,3,641,469.48,5.317,6,0.348,0.72,1.0,0.23170961551641422,0.4382067712973751,0.6884980467411418,0.7667569049414023,0.5312928346240834
EOS-3-48509,CCn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cn3)n12,OEFQVFULFBDDBO-UHFFFAOYSA-N,3,1,0.277,86,754,481.911,3.637,6,0.339,0.64,0.984,0.08841923103282845,0.14153416489616888,0.05743266397094099,0.13182783907888423,0.10480347474470564
EOS-3-48510,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C#N)n5C)no4)n23)cn1,FDZMQKYIMIYQIV-UHFFFAOYSA-N,3,1,0.529,92,185,414.389,1.729,5,0.416,0.6,1.0,0.4184685765197725,0.35372832568021384,0.032160235761770954,0.0277568364060037,0.20802849359194026
EOS-3-48511,CC(c1ccc(C(F)(F)F)nc1)c1nnc2cncc(OCc3ccc(-c4ncccn4)nc3)n12,KQANJTAQGMBANU-UHFFFAOYSA-N,3,1,0.389,27,770,478.438,4.121,5,0.359,0.63,0.156,0.5280395449249538,0.31538277020080874,0.8860684668631348,0.6660013021725721,0.5988730210403674
EOS-3-48512,CCn1c(-c2ccnnc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnc(OC)cn4)nc3)n12,LFJJJLCEOFMFRI-UHFFFAOYSA-N,3,1,0.297,99,754,478.48,2.387,6,0.347,0.58,1.0,0.10795181961483107,0.09801418682749641,0.0265060653827702,0.022393941470769653,0.06371650332396683
EOS-3-48513,Fc1cccc2oc(-c3cc(-c4nnc5cncc(Oc6ccc(Cl)nc6)n45)ccn3)nc12,UWXAJLHREGNTKR-UHFFFAOYSA-N,3,1,0.417,13,284,459.828,4.974,6,0.34,0.68,1.0,0.8095058597765746,0.7766345692550202,0.6721866218902063,0.7145329312589953,0.7432149955451991
EOS-3-48514,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cncc(-c6ccc(Cl)nn6)c5)n34)cn2)n1,JPNLKKRMRNZHAF-UHFFFAOYSA-N,3,1,0.333,32,191,477.919,4.729,6,0.358,0.65,0.665,0.2207268179014461,0.28463607703378796,0.5237817832910698,0.538217051607155,0.39184043245836475
EOS-3-48515,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)c(Cl)c2)cn1,QCUYKRJPWQXAET-UHFFFAOYSA-N,3,1,0.333,64,114,477.919,4.729,6,0.358,0.67,0.994,0.19322698923994244,0.2846446439586046,0.392639298197519,0.4707439517510794,0.3353137207867864
EOS-3-48516,Cc1nc(-c2ccc(F)nc2)c(-c2cncc3nnc(-c4ccc(C#N)cc4)n23)n1C,PJPPAXCOSRCQMV-UHFFFAOYSA-N,3,1,0.461,74,139,410.416,3.573,5,0.422,0.74,1.0,0.2771143170447536,0.3826930984853677,0.5508361318621068,0.5771194571996436,0.44694075114796794
EOS-3-48517,COc1ccnc(COc2cncc3nnc(-c4cc(-c5ccc(CO)cn5)ncn4)n23)c1Cl,QUBSVJROVYCFSE-UHFFFAOYSA-N,3,1,0.396,46,726,476.884,2.772,5,0.373,0.55,0.916,0.5483945582893565,0.5051572887396341,0.4073315742581043,0.3215937906928929,0.44561930299499697
EOS-3-48518,Cc1cnc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5nnc(C)cc5F)c4)n23)cn1,QABGUEFHQMXLOZ-UHFFFAOYSA-N,3,1,0.3,32,693,475.491,4.523,6,0.366,0.58,1.0,0.19601123980535948,0.2639640874511685,0.3926478651223357,0.39508087177026935,0.31192601603728326
EOS-3-48519,OCc1cncc(-c2cccc(-c3nnc4cncc(OCc5scc(F)c5Cl)n34)c2)c1,STGBDSUUDLCQBG-UHFFFAOYSA-N,3,1,0.5,97,655,467.913,4.779,5,0.387,0.67,1.0,0.6805736412857241,0.7328832842162977,0.8849119320128846,0.8797889109725173,0.7945394421218559
EOS-3-48520,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnc(C)nc1,PPILGYHLDZGJIP-UHFFFAOYSA-N,3,1,0.404,13,110,461.888,5.099,5,0.359,0.66,0.995,0.5700517442258927,0.6611866904256049,0.6291635254609006,0.6140600370091152,0.6186154992803783
EOS-3-48521,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)ncn2)ccn1,SFFPAZDGNKXDCA-UHFFFAOYSA-N,3,1,0.392,7,238,411.429,2.629,5,0.43,0.61,0.993,0.3603162908642314,0.15296244260160372,0.15069220752518675,0.0887276403262285,0.18817464532931258
EOS-3-48522,Fc1cnc(-c2cc(-c3nnc4cncc(Oc5c(Cl)ccc(Cl)c5F)n34)ncn2)nc1,OCWSYRCUAWQQKS-UHFFFAOYSA-N,3,1,0.355,73,842,473.23,4.416,5,0.354,0.58,0.901,0.7931001987526557,0.7682389829346857,0.7826571174011376,0.8480741553012131,0.7980176135974231
EOS-3-48523,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)cc2Cl)n1,LAEDPAWUVXNNRU-UHFFFAOYSA-N,3,1,0.518,16,772,471.333,4.294,5,0.374,0.61,1.0,0.6266191487903502,0.7236310054142965,0.3364916729490782,0.4456599958878761,0.5331004557604003
EOS-3-48524,CC(=O)c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc(Cl)c1Cl,IKKDJLLCLDBGDB-UHFFFAOYSA-N,3,1,0.53,90,255,464.259,5.212,4,0.365,0.69,1.0,0.9187341511890892,0.8945240216571859,0.9584761154136111,0.9360650400932081,0.9269498320882735
EOS-3-48525,Fc1ccc(-c2cnc(-c3nnc4cncc(Cc5ccc(-c6cccnn6)cc5)n34)cc2F)cn1,AUJPCLICKHIEIT-UHFFFAOYSA-N,3,1,0.343,3,177,478.466,4.574,6,0.335,0.66,0.997,0.3740919059694332,0.3684463025152491,0.8056164759098075,0.8147231169899253,0.5907194503461037
EOS-3-48526,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)cnn2)cn1,WXXCPOPRLLOSAN-UHFFFAOYSA-N,3,1,0.608,19,73,413.416,3.404,5,0.394,0.62,1.0,0.7931087656774725,0.785201494071688,0.5741124665889932,0.5771280241244603,0.6823876876156535
EOS-3-48527,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccncc6)c5)n34)cc2)nc1,ICPPLMKQSDUVTR-UHFFFAOYSA-N,3,1,0.329,69,695,426.483,5.582,6,0.368,0.74,1.0,0.1433589198821191,0.13413234185456788,0.8247464190254267,0.8387876087999452,0.48525632239051475
EOS-3-48528,CN(C)Cc1ccc(-c2nc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ccc2F)s1,MMVAFNSYDXTVOP-UHFFFAOYSA-N,3,1,0.406,14,357,487.564,3.805,5,0.375,0.74,0.995,0.24820951271331643,0.28465321088342127,0.32186793228702626,0.20809917072167775,0.2657074566513604
EOS-3-48529,N#Cc1cc(-c2ccc(Cl)c(F)c2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,FFGIISTYUQNKNA-UHFFFAOYSA-N,3,1,0.654,88,222,470.895,5.139,5,0.341,0.69,1.0,0.967865465012679,0.9651668836954287,0.957370982112261,0.9584675484887945,0.9622177198272908
EOS-3-48530,CCn1c(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nnc1C1CC1,RREBOIKFWDZKLP-UHFFFAOYSA-N,3,1,0.316,52,336,408.469,4.009,6,0.437,0.82,1.0,0.05473408265369063,0.052652319923240355,0.01090569529161812,0.06070522925090809,0.0447493317798643
EOS-3-48531,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)ncn2)c1,NRERKSUCGRLRHB-UHFFFAOYSA-N,3,1,0.505,44,130,466.398,4.426,5,0.272,0.75,0.999,0.8755996847371668,0.8393358919882119,0.9451288465492427,0.9452145157974093,0.9013197347680076
EOS-3-48532,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(OCF)cc5)n34)cn2)cnc1Cl,CITVRPGOVMUKHW-UHFFFAOYSA-N,3,1,0.489,55,786,477.887,4.49,5,0.338,0.69,1.0,0.8669299568226989,0.8495305325200466,0.6291720923857173,0.5708741690082928,0.7291266876841889
EOS-3-48533,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5cccnc5-c5ccc(F)cc5)n34)nc2)nn1,SFCCIRUUPRMSIT-UHFFFAOYSA-N,3,1,0.37,41,177,476.475,4.945,6,0.344,0.73,1.0,0.6041481049962305,0.6366424508258516,0.589721403604962,0.5581779864299911,0.5971724864642588
EOS-3-48534,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cnccn5)n34)c2)nc1,YGIXKVFIYJJPLP-UHFFFAOYSA-N,3,1,0.409,7,466,413.401,1.505,5,0.436,0.59,1.0,0.317258926735659,0.18969741621547528,0.20625728188609416,0.15851380988280447,0.21793185868000822
EOS-3-48535,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc(Cl)n1,WEMIKLVITIGDBZ-UHFFFAOYSA-N,3,1,0.427,36,728,456.257,2.053,5,0.286,0.61,0.999,0.38096257967240077,0.6132718799259818,0.05929168665615791,0.12954047015283393,0.2957666541018436
EOS-3-48536,Fc1ccc(-c2cncc3nnc(-c4cc(C(F)(F)F)ccc4Cl)n23)c(Cl)c1,XAXRQMUTBBFAIL-UHFFFAOYSA-N,3,1,0.422,23,240,427.188,5.923,4,0.373,0.86,1.0,0.5612620793639915,0.8135323144404085,0.9997344253306834,0.99992289767665,0.8436129292029334
EOS-3-48537,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c(Cl)n1,OEYZXEHDCSAFPD-UHFFFAOYSA-N,3,1,0.494,65,262,467.32,3.91,5,0.35,0.55,1.0,0.770346446439586,0.6561664724830375,0.39640874511685287,0.4796278527859639,0.57563737920636
EOS-3-48538,Fc1ccc(F)c(CCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1Cl,GMZXEIKQYOIUOP-UHFFFAOYSA-N,3,1,0.402,90,225,421.785,4.841,4,0.342,0.71,0.969,0.5329483928449044,0.7724025083955863,0.980218970598314,0.9829689534644644,0.8171347063258172
EOS-3-48539,Clc1cccc(-c2cccc(-c3nnc4cncc(OCCOc5ccccc5)n34)c2)c1,CTEVPJZTIRWVEV-UHFFFAOYSA-N,3,1,0.658,79,650,442.906,5.57,5,0.308,0.8,1.0,0.9173291755191556,0.927275375231307,0.8799602494688507,0.897796586937153,0.9055903467891165
EOS-3-48540,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4ccccc4-c4ccccc4Cl)n23)nn1,OSAJWXZKIDPTMY-UHFFFAOYSA-N,3,1,0.378,14,476,466.854,5.511,5,0.349,0.76,1.0,0.3855373175245014,0.6035055856349805,0.967711260365979,0.9620999246110616,0.7297135220341306
EOS-3-48541,Fc1cc(Cc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)cc(-c2nnco2)c1F,ZOGQYCDMKJXVRL-UHFFFAOYSA-N,3,1,0.333,85,315,441.348,4.043,5,0.38,0.48,0.974,0.35092694126516344,0.4246624631622233,0.9290487286683572,0.9139623740662052,0.6546501267904873
EOS-3-48542,Cc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5ccnc(Cl)c5)c4)n23)c(Cl)n1,DIKGTKWLLSAWGY-UHFFFAOYSA-N,3,1,0.463,75,278,479.331,4.275,5,0.333,0.69,1.0,0.7167603317113289,0.685396819957508,0.3741861421424166,0.4676941265163457,0.5610093550818998
EOS-3-48543,COc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)cc4)n23)cn1,LOCKSIIXPWFKNC-UHFFFAOYSA-N,3,1,0.341,69,30,475.487,5.125,6,0.32,0.76,0.998,0.5146922760605853,0.5648002193132753,0.7640411897745185,0.7118429168665615,0.6388441505037352
EOS-3-48544,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5ccccn5)n4)n23)nc1,QMKWMSVQLAWRIF-UHFFFAOYSA-N,3,1,0.4,6,843,481.455,2.552,6,0.349,0.6,1.0,0.3922452196559523,0.3730553080666164,0.11836920019189912,0.11860907408676581,0.2505697005003084
EOS-3-48545,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccccc4Cl)n23)c(F)c1,AINRMSMBWDXJIF-UHFFFAOYSA-N,3,1,0.435,45,46,405.824,4.046,5,0.453,0.89,1.0,0.25089952710575014,0.4156928928791721,0.7171629771777123,0.8147316839147419,0.5496217702693441
EOS-3-48546,COc1ccc(-c2nnc3cncc(OCCc4cnncc4Cl)n23)cc1-c1ncccc1F,UMZHLUKIVQIOGK-UHFFFAOYSA-N,3,1,0.521,35,925,477.887,4.066,5,0.346,0.62,1.0,0.9146562949763553,0.8358063189637448,0.6831437187307244,0.6545473236926873,0.7720384140908779
EOS-3-48547,Cc1ccc(-c2nnc3cncc(-c4nc(-c5cc(Cl)cc(Cl)c5)ns4)n23)cc1,IKCDUKYYNXQIIN-UHFFFAOYSA-N,3,1,0.414,96,837,439.331,5.592,5,0.367,0.77,1.0,0.22073538482626276,0.3779041875128504,0.6502381605099034,0.8126070865602083,0.5153712048523061
EOS-3-48548,CCn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3cncnc3-c3ccccc3)n12,UWWRQRBXCXMYGO-UHFFFAOYSA-N,3,1,0.31,8,474,480.923,4.242,6,0.337,0.71,0.776,0.14038619697073537,0.20821054074429443,0.0738211911452265,0.19628538139949284,0.15467582756493728
EOS-3-48549,Cn1cnc(-c2ccc(F)c(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cc1=O,FZJPNHIECBLGDA-UHFFFAOYSA-N,3,1,0.447,59,89,481.85,3.458,5,0.354,0.66,1.0,0.64975841272017,0.5693835240901925,0.8099770406414913,0.8015386196970735,0.7076643992872319
EOS-3-48550,Fc1cccc(F)c1-c1cc(-c2nnc3cncc(OCCc4scnc4Cl)n23)cnn1,FQOGWMMTDBRBDZ-UHFFFAOYSA-N,3,1,0.523,37,778,471.88,4.258,5,0.365,0.6,0.98,0.7378606675347817,0.8393444589130286,0.5897299705297786,0.714541498183812,0.7203691487903502
EOS-3-48551,COCc1ncc(-c2nnc3cncc(Cc4cc(-c5ccccn5)ncn4)n23)cn1,CTGUWLYOGOBHBT-UHFFFAOYSA-N,3,1,0.316,85,60,411.429,2.17,5,0.414,0.61,1.0,0.19601980673017613,0.07521759989034336,0.08016071550956069,0.06880954012747584,0.105051915564389
EOS-3-48552,Fc1cc(-c2cnc(-c3nnc4cncc(-c5cnc(C(F)(F)F)cn5)n34)c(F)c2)ccn1,QEDDFJYGFCAELL-UHFFFAOYSA-N,3,1,0.314,50,243,456.338,4.002,5,0.299,0.62,1.0,0.2966212048523062,0.5277311356315537,0.9579106983757111,0.9288516893975739,0.6777786820642863
EOS-3-48553,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cc2)nc1,MEKKDRHRIUJDCH-UHFFFAOYSA-N,3,1,0.338,69,958,432.512,5.644,6,0.36,0.74,1.0,0.10043005962579672,0.18970598314029197,0.7405335480775821,0.7513878418203002,0.4455143581659927
EOS-3-48554,Fc1cnc(-c2cc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)ccc2Cl)cn1,QRMNEGGMHJSJAM-UHFFFAOYSA-N,3,1,0.378,14,358,466.854,5.569,5,0.339,0.77,1.0,0.535458501816188,0.7328918511411144,0.9778716331985471,0.9793622781166472,0.8063960660681242
EOS-3-48555,C#Cc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c1,GHXFISCKENGLSL-UHFFFAOYSA-N,3,1,0.422,90,244,406.352,2.124,4,0.509,0.7,1.0,0.6320420121993009,0.34909361935439653,0.7711688712219862,0.6777893907203071,0.6075234733739977
EOS-3-48556,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5nc(C)nn5C)nc4)n23)cc1,VUHNDBKTXCFTGZ-UHFFFAOYSA-N,3,1,0.393,85,886,410.485,3.384,5,0.441,0.75,1.0,0.1760674388321568,0.1012610513330135,0.08517236652731136,0.08168562812692756,0.11104662120485231
EOS-3-48557,Cc1nc(-c2ccsc2)cc(-c2nnc3cncc(OCCc4cnc(F)c(Cl)c4)n23)n1,UFCJMPPGHDMLCQ-UHFFFAOYSA-N,3,1,0.432,18,531,467.917,4.427,5,0.341,0.61,1.0,0.6894918100198753,0.6561750394078542,0.47865122335686383,0.5014992118429169,0.5814543211568776
EOS-3-48558,COc1ncc(-c2nnc3cncc(OCc4cc(Cl)ns4)n23)cc1-c1ccc(F)cn1,BVMNHMLMJCKFLP-UHFFFAOYSA-N,3,1,0.451,55,879,469.889,4.085,5,0.366,0.64,1.0,0.6895003769446919,0.6463145089438695,0.44000582550887535,0.4234973613871565,0.5498295181961483
EOS-3-48559,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)ccc1F,BAHGMRSROWAEDB-UHFFFAOYSA-N,3,1,0.465,26,125,481.894,4.623,5,0.337,0.73,1.0,0.7559625796724008,0.7188677952162292,0.7998595024330066,0.797246590363923,0.7679841169213899
EOS-3-48560,Cc1csc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)n1,VXCJHMZGRUBKPH-UHFFFAOYSA-N,3,1,0.488,13,145,421.432,5.294,5,0.394,0.78,1.0,0.7167688986361456,0.6854053868823248,0.8284730313206772,0.8126156534850251,0.7608157425810431
EOS-3-48562,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5nccn5C)c4)n23)c1F,PCIXKJXJDMLJRJ-UHFFFAOYSA-N,3,1,0.505,65,359,464.892,3.704,5,0.353,0.54,1.0,0.6527568364060037,0.5896528682064286,0.4177917894592557,0.40747721197998765,0.5169196765129189
EOS-3-48563,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)cc1F,SDNDOOFTVGMZFJ-UHFFFAOYSA-N,3,1,0.329,98,615,484.886,3.898,6,0.37,0.66,1.0,0.2426581454321157,0.39191110958810227,0.614634020971832,0.6807192790076074,0.4824806387499143
EOS-3-48564,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cncs5)c(Cl)c4)n23)cc1F,ZGMGFNZZICCUIB-UHFFFAOYSA-N,3,1,0.754,59,13,455.877,5.425,5,0.354,0.76,1.0,0.9761068466863135,0.9643016242889453,0.9610033582345281,0.9654752929888287,0.966721780549654
EOS-3-48565,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5F)s4)n23)c(F)c1,ZPMJRGHECBBWCA-UHFFFAOYSA-N,3,1,0.329,98,63,474.46,3.446,6,0.357,0.54,0.996,0.1351946405318347,0.284661777808238,0.2235710369405798,0.29974813241038994,0.2357938969227606
EOS-3-48566,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(CO)nn5C)n34)nc2C2CC2)cn1,LPPVNIHMJXRMOX-UHFFFAOYSA-N,3,1,0.366,31,662,469.509,2.634,6,0.382,0.66,0.616,0.1905712425467754,0.14154273182098553,0.02651463230758687,0.029607292166403947,0.09705897471043794
EOS-3-48567,O=C(c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1F)N1CC(F)(F)C1,HPNNCTPUBQCNLW-UHFFFAOYSA-N,3,1,0.57,90,636,488.857,3.691,5,0.385,0.77,0.999,0.6743454869440065,0.6561836063326708,0.5962579672400795,0.7060602426153109,0.658211825783017
EOS-3-48568,Cc1c(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)c2)cnn1C,QABIMORYGNEAKX-UHFFFAOYSA-N,3,1,0.329,25,508,481.951,4.616,6,0.365,0.72,1.0,0.15437598519635393,0.27425296415598654,0.5134929065862518,0.5015077787677336,0.36090740867658144
EOS-3-48569,Cc1nc(-c2cnc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2Cl)n(C)n1,DOGDGDGJIDGNLS-UHFFFAOYSA-N,3,1,0.388,31,602,483.323,3.009,5,0.359,0.63,0.975,0.47752038928106366,0.4337776711671578,0.06330957439517511,0.12549688163936673,0.27502612912069085
EOS-3-48570,Clc1cc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)ccn1,XVMCFPKAMKHYHL-UHFFFAOYSA-N,3,1,0.329,38,641,468.933,5.087,6,0.332,0.71,1.0,0.10043862655061339,0.28993043657048867,0.41780035638407237,0.5417894592557055,0.33748971969022
EOS-3-48571,Cc1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc(C(F)(F)F)c1,VBMBJPRWLGXHOC-UHFFFAOYSA-N,3,1,0.579,48,240,434.368,5.635,4,0.382,0.71,1.0,0.9874494551435816,0.9689020629154959,0.9994945514358166,0.9982523473373998,0.9885246042080734
EOS-3-48572,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4Cl)n23)c(F)c1,CLPUBSAOQMQPNT-UHFFFAOYSA-N,3,1,0.321,98,745,484.886,3.898,6,0.37,0.67,1.0,0.2509080940305668,0.41570145980398876,0.6206308683434995,0.6923188952093756,0.49488982934685766
EOS-3-48573,Cn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)ccc2F)cn1,FTOGDHUWSKSMJN-UHFFFAOYSA-N,3,1,0.531,13,145,455.28,5.43,5,0.362,0.72,1.0,0.5558649167294908,0.7594578849976013,0.9523336303200604,0.9633935302583785,0.8077624905763827
EOS-3-48574,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)nn4)n23)c(F)c1,ATXPXMHCMTVNAQ-UHFFFAOYSA-N,3,1,0.333,71,622,482.483,3.797,6,0.352,0.68,0.998,0.4775289562058803,0.48188952093756426,0.29256904941402234,0.2432406963196491,0.373807055719279
EOS-3-48575,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4F)n23)nc1Cl,ULPLFLXIBZVQSN-UHFFFAOYSA-N,3,1,0.456,58,143,467.827,2.986,5,0.274,0.64,1.0,0.7703550133644027,0.8556987183880475,0.39265643204715234,0.4582962099924611,0.6192515934480158
EOS-3-48576,Cc1nc(F)cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)n4)n23)c1F,BMNYIHYYTMRCKM-UHFFFAOYSA-N,3,1,0.417,46,223,465.851,4.462,5,0.354,0.59,1.0,0.8016756904941402,0.7466588993214995,0.745536632170516,0.7435234048385991,0.7593486567061888
EOS-3-48577,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cc(Cl)nc(Cl)n5)c4)n23)nc1,AEMMDCVAAQUWMH-UHFFFAOYSA-N,3,1,0.415,44,348,464.316,4.838,5,0.272,0.77,1.0,0.7378692344595984,0.6463230758686862,0.6751936125008567,0.6923274621341923,0.6879283462408334
EOS-3-48578,Cc1ccc(-c2nnc3cncc(OCc4cc(Cc5ncc(Cl)s5)cnc4F)n23)cn1,BHMGWZISQODVJJ-UHFFFAOYSA-N,3,1,0.473,55,879,467.917,4.309,5,0.344,0.7,1.0,0.6292577616338839,0.6268590226852169,0.5171938181070523,0.494971215132616,0.5670704543896923
EOS-3-48579,COc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ncc(F)cc3Cl)n12,QESSLTGVWMVVBA-UHFFFAOYSA-N,3,1,0.454,49,262,478.875,3.461,5,0.347,0.59,1.0,0.8042115002398739,0.7236395723391131,0.2667226372421356,0.27263381536563636,0.5168018812966897
EOS-3-48580,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5Cl)n34)cc2)n(C)c1C,HYELHVCNMUKAAC-UHFFFAOYSA-N,3,1,0.317,9,7,481.951,4.914,6,0.383,0.72,1.0,0.24008806798711535,0.2899390034953053,0.407340141182921,0.41714070317318896,0.3386269789596327
EOS-3-48581,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5Cl)n34)ccn2)ccn1,VELUJUQNRXIIRN-UHFFFAOYSA-N,3,1,0.506,59,183,467.291,5.273,5,0.328,0.72,1.0,0.877552943595367,0.8759680625042835,0.9432955246384758,0.9560859433897608,0.9132256185319718
EOS-3-48582,Fc1c(CCOc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)ccnc1Cl,HISSTXTWUWGJQC-UHFFFAOYSA-N,3,1,0.545,11,201,452.902,4.724,5,0.347,0.61,1.0,0.7874802960729217,0.8251576314166267,0.7479353711191831,0.7643410321431019,0.7812285826879584
EOS-3-48583,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5cncnc5-c5ccc(F)cc5)n34)nc2)n1C,XNYZOSQAVGBFPT-UHFFFAOYSA-N,3,1,0.374,94,318,479.479,4.284,6,0.36,0.67,1.0,0.6096138030292646,0.5461842916866562,0.46479850592831196,0.41078404495922144,0.5078451614008636
EOS-3-48584,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(Cl)c(F)c5)n34)c2)n(C)n1,DIGVTMSHUIGGRT-UHFFFAOYSA-N,3,1,0.537,59,294,467.867,4.406,5,0.356,0.6,1.0,0.5808889041189774,0.6035141525597971,0.8734493866081832,0.8444075114796793,0.7255649886916593
EOS-3-48585,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(F)nn5)c4)n23)cc1,NLCVJGDMRDGCQV-UHFFFAOYSA-N,3,1,0.511,1,637,487.47,3.666,5,0.356,0.72,1.0,0.5838444931807278,0.2537523130697005,0.5572955931738743,0.45509218011102737,0.4624961448838325
EOS-3-48586,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccc5C#N)n34)nn2C)nc1Cl,CCGHZJZNCFQCFZ-UHFFFAOYSA-N,3,1,0.4,31,569,472.9,2.832,5,0.365,0.54,0.995,0.4095418408608046,0.37306387499143306,0.1957028305119594,0.21693167020766227,0.29881005414296485
EOS-3-48587,OCc1cccc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ncn2)n1,YJHLMQBYIACKQG-UHFFFAOYSA-N,3,1,0.396,46,726,481.303,3.416,5,0.389,0.63,0.995,0.5280481118497704,0.4469707353848263,0.5438712219861559,0.5986481392639298,0.5293845521211706
EOS-3-48588,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)nc1,JMJQGCVXTWQZAZ-UHFFFAOYSA-N,3,1,0.453,18,873,410.441,2.968,5,0.421,0.65,1.0,0.5752090329655267,0.25879823178671785,0.2488862997738332,0.21694023713247892,0.32495845041463917
EOS-3-48589,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cc(F)ccn5)cn4)n23)cc1,FIOUICSRSKFHKR-UHFFFAOYSA-N,3,1,0.391,14,886,410.456,4.481,5,0.427,0.74,1.0,0.4302052635186074,0.5368806113357549,0.6444897539579193,0.654555890617504,0.5665328798574464
EOS-3-48590,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)c2)cc1,OMKDEPCTGNWVMM-UHFFFAOYSA-N,3,1,0.5,57,560,467.838,5.503,5,0.319,0.81,1.0,0.9117435405386882,0.908188266739771,0.9786512233568638,0.984939346172298,0.9458805942019053
EOS-3-48591,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cc2)c1,DDMOHGNPKBFZOO-UHFFFAOYSA-N,3,1,0.385,93,107,461.916,5.631,6,0.338,0.77,1.0,0.27204269755328625,0.40623500788157085,0.7329775203892811,0.8480827222260298,0.564834487012542
EOS-3-48592,Cc1cc(F)nc(-c2nncnc2-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)n1,HYIQUBABJDQBSE-UHFFFAOYSA-N,3,1,0.311,94,507,481.43,3.144,6,0.346,0.6,0.971,0.29115550681927216,0.3919196765129189,0.2098382564594613,0.3094373243780413,0.30058769104242344
EOS-3-48593,OCc1cc(-c2nnc3cncc(Cc4ncc(-c5ncncc5F)cc4Cl)n23)ccc1Cl,YLEYOICNYUFKEN-UHFFFAOYSA-N,3,1,0.327,85,81,482.306,4.172,5,0.401,0.59,1.0,0.479859159756014,0.5896614351312452,0.8402696867932287,0.8922195188815023,0.7005024501404975
EOS-3-48594,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncn4)n23)cc1,INEYERHADRXZKZ-UHFFFAOYSA-N,3,1,0.609,4,996,482.838,3.872,5,0.341,0.65,1.0,0.8095144267013913,0.9102443286957713,0.780352614625454,0.7513964087451168,0.8128769446919333
EOS-3-48595,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)ccn2)ccc1F,KXEROLKZLNYVQJ-UHFFFAOYSA-N,3,1,0.467,24,912,449.396,3.948,5,0.375,0.5,1.0,0.864762524844082,0.7852100609965047,0.8372112946336783,0.788062846960455,0.81881168185868
EOS-3-48596,Clc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cn1,BUDNMSRCJNVZSX-UHFFFAOYSA-N,3,1,0.312,69,339,468.933,5.087,6,0.332,0.73,0.998,0.09328524432869577,0.23851175382084847,0.6146425878966486,0.6893204715235419,0.40894001439243366
EOS-3-48597,FC(F)(F)c1nccc(COc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)ccn4)n23)n1,YMJGHPDAUBFTHO-UHFFFAOYSA-N,3,1,0.4,27,160,484.829,4.29,5,0.34,0.75,1.0,0.5983140291960798,0.6951288465492427,0.865045233363032,0.7740644918100199,0.7331381502295936
EOS-3-48598,CCn1cc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(-c2ncccn2)n1,CASBZLKJQNDZDR-UHFFFAOYSA-N,3,1,0.282,38,608,451.519,4.255,6,0.386,0.49,1.0,0.05834932492632445,0.07866150366664382,0.13248749228976767,0.15305667877458706,0.10563874991433075
EOS-3-48599,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nn5)c4)n23)n1,CQRSSPAUPUQVLE-UHFFFAOYSA-N,3,1,0.464,71,826,482.443,1.947,6,0.343,0.62,0.997,0.4049328353094373,0.3491021862792132,0.07382975807004317,0.08169419505174423,0.22738974367760947
EOS-3-48600,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,VAHKYSKDPQPKRF-UHFFFAOYSA-N,3,1,0.573,79,650,445.885,5.267,5,0.333,0.71,1.0,0.9159156329244055,0.9582019738194778,0.8466948804057296,0.8868994585703516,0.9019279864299911
EOS-3-48601,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4scnc4-c4cccc(F)c4)n23)c1,MFGLMXXGLSXJME-UHFFFAOYSA-N,3,1,0.351,64,885,469.48,5.317,6,0.348,0.76,1.0,0.13784182030018505,0.2951134260845727,0.6086114728257145,0.7463419231032828,0.4469771605784388
EOS-3-48602,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cnc2Cl)nc1,GZLKFCRQDBCUQY-UHFFFAOYSA-N,3,1,0.5,65,552,479.331,4.275,5,0.333,0.68,1.0,0.8669385237475156,0.9081968336645878,0.46480707285312867,0.5283736549928038,0.6920790213145089
EOS-3-48603,CCc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)s1,YPYXNBYDSKMCDR-UHFFFAOYSA-N,3,1,0.662,43,372,466.929,5.244,5,0.34,0.79,1.0,0.8851689397573846,0.9351483791378247,0.5638407237338086,0.6571773696114043,0.7603338530601056
EOS-3-48604,Fc1ncc(Cl)c(Cl)c1COc1cncc2nnc(-c3ccc(Cl)cc3Cl)n12,GEPZBAMWHZVWCJ-UHFFFAOYSA-N,3,1,0.562,23,255,459.095,5.518,4,0.377,0.69,1.0,0.9132684531560551,0.9481187033102597,0.9786597902816805,0.9943715303954492,0.958604619285861
EOS-3-48605,Cc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccccc5Cl)c4)n23)ccn1,MHTCSELCSHSHRT-UHFFFAOYSA-N,3,1,0.61,57,222,459.912,5.576,5,0.332,0.81,1.0,0.97531868960318,0.9744619971215133,0.912368926050305,0.9151703104653554,0.9443299808100885
EOS-3-48606,COc1nc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)ccc1-c1nccn1C,SXOUJFSYGFREHN-UHFFFAOYSA-N,3,1,0.42,49,551,480.891,3.404,5,0.349,0.61,1.0,0.5956839832773627,0.47787163319854703,0.3218764992118429,0.28174045644575424,0.4192931430333767
EOS-3-48607,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cscn6)ns5)n34)cn2)nc1,ONKXZKMLNBKODE-UHFFFAOYSA-N,3,1,0.482,28,297,470.543,4.407,6,0.353,0.67,1.0,0.4279778630662737,0.44697930230964295,0.18567952847645808,0.18824103899664177,0.31221943321225415
EOS-3-48608,COCc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)cn1,ZKTRNKOLXTWDAA-UHFFFAOYSA-N,3,1,0.452,16,969,477.887,4.161,5,0.322,0.67,1.0,0.7230227537523131,0.7002690014392434,0.72511308340758,0.6837519703927079,0.7080392022479611
EOS-3-48609,CC1(n2cc(-c3cncc4nnc(-c5cnn(-c6ccc(F)c(F)c6)c5)n34)nn2)CC1,DIEGBRKPDXFSQX-UHFFFAOYSA-N,3,1,0.306,50,844,419.399,3.023,6,0.445,0.55,0.735,0.03384791995065451,0.11686142142416558,0.11837776711671578,0.36972277431293266,0.15970247070111715
EOS-3-48610,CCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cnc(C)cn1,UREQFVQTPVNOSK-UHFFFAOYSA-N,3,1,0.426,18,690,472.94,4.184,5,0.325,0.64,0.945,0.5752175998903434,0.6181036255225825,0.252552943595367,0.2374323212939483,0.42082662257556025
EOS-3-48611,Fc1ccccc1CCCOc1ncc(-c2nnc3cncc(-c4cnn(C5CCC5)c4)n23)cn1,FJNGFPZNVFJAES-UHFFFAOYSA-N,3,1,0.369,52,800,470.512,4.321,6,0.312,0.73,1.0,0.2180625042834624,0.21804537043382907,0.06516003015557535,0.1718353779727229,0.16827582071139746
EOS-3-48612,FC(F)(F)c1cnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1,BHDLSJPTYUOKRM-UHFFFAOYSA-N,3,1,0.325,50,243,410.323,2.447,5,0.481,0.61,0.947,0.22345966691796312,0.3295096292234939,0.7200842985401961,0.6200397505311493,0.4732733363032007
EOS-3-48613,Cc1cc(-c2cc(-c3nnc4cncc(Cc5cccc(C)n5)n34)ccc2F)cc(CF)n1,BUQUDYSOFZKNIM-UHFFFAOYSA-N,3,1,0.333,14,358,442.473,5.065,5,0.38,0.58,0.999,0.4072801727092043,0.5005739839627168,0.7640497566993352,0.7090500993763279,0.5952385031868961
EOS-3-48614,Cc1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1ccc(Cl)nc1,BTKQNBLAEHKBFK-UHFFFAOYSA-N,3,1,0.457,46,122,464.316,4.838,5,0.344,0.63,1.0,0.514700842985402,0.6084230004797478,0.6914536358028922,0.7384603522719485,0.6382594578849976
EOS-3-48615,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c(Cl)n2)c1,TVCQFSDGVVGPID-UHFFFAOYSA-N,3,1,0.523,58,271,467.32,3.91,5,0.35,0.55,1.0,0.7677763689945857,0.7508995271057501,0.4822150640805976,0.5283822219176204,0.6323182955246385
EOS-3-48616,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccc(Cl)nn6)n5)n34)cn2)c1,GFQKZKKOMGKHAA-UHFFFAOYSA-N,3,1,0.357,10,541,482.87,3.955,6,0.367,0.6,0.363,0.2453995613734494,0.44242169830717565,0.42535638407237336,0.5806061956000275,0.42344595983825645
EOS-3-48617,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5nnc(Cl)c(-c6ccccn6)n5)n34)cc2)c1,LBCBXYNPYQJOSH-UHFFFAOYSA-N,3,1,0.325,3,787,481.882,4.56,6,0.36,0.66,1.0,0.3147145500651086,0.4911332328147488,0.4325697347680077,0.5806147625248441,0.4547580700431773
EOS-3-48618,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnco5)n34)cc(Cl)n2)s1,ROMWOVGOSUDXHC-UHFFFAOYSA-N,3,1,0.506,75,981,439.888,3.881,5,0.367,0.57,0.952,0.6681601672263724,0.6132804468507984,0.15668905489685422,0.1770783359605236,0.4038020012336372
EOS-3-48619,Clc1cccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)c2)n1,JWFRJVHMJCIJGS-UHFFFAOYSA-N,3,1,0.448,40,611,481.907,4.266,6,0.35,0.66,1.0,0.8042200671646905,0.6707302446713728,0.5897385374545953,0.5806233294496608,0.6613280446850798
EOS-3-48620,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)s4)n23)cn1,AVFKWQIETOKXQA-UHFFFAOYSA-N,3,1,0.447,80,34,471.571,4.956,6,0.342,0.71,1.0,0.43226132547460766,0.3633918168734151,0.3145089438695086,0.2758549790967034,0.3465042663285587
EOS-3-48621,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)nnc2Cl)c(C)n1,QVJFEJGDZDGWDL-UHFFFAOYSA-N,3,1,0.418,31,466,479.907,3.582,5,0.348,0.65,0.99,0.404941402234254,0.43378623809197453,0.24178431910081558,0.272642382290453,0.33828858542937423
EOS-3-48622,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5c[nH]cn5)c4)n23)c1,ONQPWPYJYBESIU-UHFFFAOYSA-N,3,1,0.511,15,438,431.887,4.16,5,0.406,0.5,1.0,0.7959101500925228,0.709846823384278,0.5741210335138098,0.5741296004386266,0.6635019018573093
EOS-3-48623,Cc1cc(C(F)F)ncc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)cn1,BZGHOQAHFRREHT-UHFFFAOYSA-N,3,1,0.309,86,151,482.458,4.137,6,0.36,0.66,0.928,0.002878486738400384,0.12021108902748269,0.570685696662326,0.47379377698581315,0.29189226235350557
EOS-3-48624,CCc1nc(-c2nnc3cncc(OCc4sccc4Cl)n23)ccc1-c1nc(C)nn1C,DRUIEFFSQILCRO-UHFFFAOYSA-N,3,1,0.396,31,690,466.958,4.147,5,0.371,0.59,0.451,0.25340963607703376,0.37791275443766703,0.04650983482968953,0.06360941676375848,0.18536041052703717
EOS-3-48625,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4N)n23)sn1,NSSNZAYIPLCRFU-UHFFFAOYSA-N,3,1,0.427,36,45,448.472,1.303,5,0.364,0.51,0.694,0.26146254540470154,0.16445925570557193,0.020500651086286067,0.008566924816667808,0.11374734425330683
EOS-3-48626,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)cc1Cl,INYKLUMUROASJH-UHFFFAOYSA-N,3,1,0.59,13,995,453.264,5.487,5,0.335,0.73,1.0,0.8300407785621273,0.8730210403673497,0.9544753615242273,0.9690477006373792,0.906646220272771
EOS-3-48627,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cnc(C)cn1,ZPKKHVHMAUWSTA-UHFFFAOYSA-N,3,1,0.426,18,690,472.94,4.184,5,0.347,0.58,0.8,0.5781474881776437,0.6132890137756151,0.24179288602563223,0.237440888218765,0.41766756904941404
EOS-3-48628,Fc1cc(COc2cncc3nnc(-c4cc(-c5ncccc5F)cnc4Cl)n23)c(F)cn1,CUVXRGNWHDLDCZ-UHFFFAOYSA-N,3,1,0.43,73,577,469.814,4.293,5,0.354,0.59,1.0,0.8068072784593242,0.8730296072921664,0.8967000205606196,0.9084195737098211,0.8712391200054828
EOS-3-48629,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)n(C)n2)cn1,LEHKFLKUZJLIFL-UHFFFAOYSA-N,3,1,0.4,53,587,414.433,1.968,5,0.425,0.59,1.0,0.09103214310191214,0.026566033856486874,0.03351380988280447,0.01637996024946885,0.04187298677266808
EOS-3-48630,Cc1nc(CCc2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)ccc1F,WBCUYVGRBVZJHC-UHFFFAOYSA-N,3,1,0.529,4,92,475.915,4.441,5,0.343,0.64,1.0,0.9054639846480708,0.9523079295456103,0.5674473990816257,0.577136591049277,0.7505889760811459
EOS-3-48631,c1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nn2)cn1,WJQSGTZMOSBLGV-UHFFFAOYSA-N,3,1,0.313,86,312,410.361,1.274,6,0.413,0.7,1.0,0.036572202042354875,0.03206599958878761,0.0347817147556713,0.04166952230827222,0.0362723596737715
EOS-3-48632,Fc1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)cn2)cn1,ZPBLAQMCFTXJAT-UHFFFAOYSA-N,3,1,0.33,14,358,450.399,5.055,5,0.277,0.77,1.0,0.4510914262216435,0.6611952573504215,0.9758498389418134,0.970032896991296,0.7645423548762936
EOS-3-48633,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1cccc(Cl)c1,KSNLWKUGKGBDOL-UHFFFAOYSA-N,3,1,0.433,13,145,455.28,5.43,5,0.362,0.74,1.0,0.4095504077856213,0.5277397025563704,0.8883644027140017,0.9360736070180248,0.6904320300185045
EOS-3-48634,c1cncc(-c2csc(COc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)c1,NSUIVFCFVZRTTF-UHFFFAOYSA-N,3,1,0.53,40,120,469.555,5.012,6,0.338,0.73,1.0,0.4322698923994243,0.5139726543759852,0.3514666575286135,0.34068946610924544,0.40959966760331706
EOS-3-48635,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)sc1Cl,PSQAHDHVVYUBQR-UHFFFAOYSA-N,3,1,0.544,68,127,411.796,4.557,4,0.482,0.71,0.999,0.8278219450346104,0.9102528956205881,0.9451374134740593,0.9310105544513742,0.903555702145158
EOS-3-48636,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnnc(C)c5)cnn4)n23)cc1F,CLYATIVBDLCMCT-UHFFFAOYSA-N,3,1,0.448,36,534,485.483,2.815,5,0.369,0.63,1.0,0.42314611746967307,0.34433040915632923,0.292577616338839,0.18824960592145842,0.31207593722157495
EOS-3-48637,OCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc2F)s1,DADCLGFTOYUUSY-UHFFFAOYSA-N,3,1,0.357,51,924,471.865,2.359,5,0.367,0.59,0.715,0.5431601672263724,0.527748269481187,0.06952916181207594,0.11639880748406552,0.31420910150092524
EOS-3-48638,Cn1ccnc1-c1ccc(-c2nnc3cncc(COc4nncc(-c5nn[nH]n5)c4Cl)n23)cc1,IURRVLWSBAFKHP-UHFFFAOYSA-N,3,1,0.361,56,614,486.887,2.394,6,0.371,0.69,1.0,0.4231546843944898,0.46885066136659587,0.10980227537523131,0.13183640600370092,0.28341100678500447
EOS-3-48639,Fc1cccc(-c2cccnc2-c2nnc3cncc(-c4nc(-c5ccccc5Cl)no4)n23)c1,UHIIZFDCRODQRS-UHFFFAOYSA-N,3,1,0.358,30,203,469.867,5.363,6,0.343,0.75,1.0,0.237440888218765,0.3966057843876362,0.6115242272633815,0.7763689945857035,0.5054849736138716
EOS-3-48640,Fc1cccc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c(F)c2)c1,SGVTYZBUAKAKII-UHFFFAOYSA-N,3,1,0.494,57,417,453.811,5.716,5,0.348,0.76,1.0,0.9390463299294085,0.9754043588513467,0.9786683572064971,0.9852391885408813,0.9695895586320333
EOS-3-48641,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1Cl,ADSRPHVUUHHBDT-UHFFFAOYSA-N,3,1,0.378,96,46,452.827,5.645,5,0.352,0.75,0.844,0.4279864299910904,0.690348502501542,0.9727057775340964,0.9746847371667466,0.7664313617983688
EOS-3-48642,Clc1cc(CCOc2cncc3nnc(-c4ncc(-c5ccccn5)c(Cl)n4)n23)ccn1,JMVVIXBBRMEOIU-UHFFFAOYSA-N,3,1,0.444,18,578,465.304,3.967,5,0.274,0.65,1.0,0.7439860187786992,0.6181121924473991,0.37419470906723323,0.49181001987526557,0.5570257350421494
EOS-3-48643,COc1cc(-c2nnc3cncc(Oc4c(Cl)ccc(Cl)c4F)n23)ccc1-c1nc[nH]n1,VCJBHXUUVWIZOL-UHFFFAOYSA-N,3,1,0.446,47,209,472.267,4.823,5,0.366,0.63,1.0,0.839978411349462,0.8095915290247413,0.8748372284284833,0.8565896785689808,0.8452492118429169
EOS-3-48644,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5O)n34)c(C)nn2)n(C)n1,SWZJVGGAXMQYTG-UHFFFAOYSA-N,3,1,0.478,36,226,462.901,3.537,5,0.421,0.54,0.998,0.482309300253581,0.6463316427935029,0.26673120416695223,0.255028784867384,0.41260023302035503
EOS-3-48645,Fc1cc(COc2cncc3nnc(-c4cnnc(-c5ccsc5)c4)n23)ncc1Cl,RWQJEKDDAQTAAB-UHFFFAOYSA-N,3,1,0.494,2,875,439.863,4.076,5,0.407,0.47,1.0,0.5457730792954562,0.6132975807004317,0.6694709067233225,0.7118514837913782,0.6350982626276472
EOS-3-48646,CCc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)c(C)c5)c4)n23)n1,NXGNRVQOKXEVRN-UHFFFAOYSA-N,3,1,0.5,1,92,456.937,5.352,5,0.342,0.74,1.0,0.5379771777122884,0.6903570694263587,0.6831522856555411,0.6403519292714687,0.6379596155164142
EOS-3-48647,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4ocnc4-c4ccccc4)n23)c1,HSVKDRAVVPIRMD-UHFFFAOYSA-N,3,1,0.342,64,365,451.877,5.224,6,0.362,0.64,1.0,0.2072339113151943,0.2794102528956206,0.4648156397779453,0.6314680282365842,0.3957319580563361
EOS-3-48648,Fc1ccc(Cl)cc1-c1nnc2cncc(-c3cncc(-c4cccc(Cl)c4)c3)n12,HFMBVBGNMBFULM-UHFFFAOYSA-N,3,1,0.397,45,533,436.277,5.966,5,0.35,0.87,1.0,0.3465492426838462,0.560473922280858,0.9738451785347132,0.9913131382358988,0.718045370433829
EOS-3-48649,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccccc5)c4)n23)cc1,CEZVSRJQUHEVHN-UHFFFAOYSA-N,3,1,0.494,67,755,461.489,3.623,6,0.37,0.49,1.0,0.6266277157151668,0.27941881982043726,0.34774004523336305,0.3278133781097937,0.39539998971969026
EOS-3-48650,Cc1nc(-c2ccc(F)nc2)cc(-c2nnc3cncc(OCCc4cncnc4F)n23)n1,TULOMTNUCWKFDE-UHFFFAOYSA-N,3,1,0.408,18,330,447.409,2.641,5,0.286,0.57,1.0,0.7291909396203139,0.5847268864368447,0.3255517099581934,0.30626756219587414,0.4864342745528066
EOS-3-48651,Fc1cncc(F)c1COc1cncc2nnc(-c3cncc(-c4nnco4)c3)n12,FAZCWJDKPMQHJI-UHFFFAOYSA-N,3,1,0.459,2,980,408.328,2.488,5,0.432,0.73,1.0,0.6805822082105407,0.5186073607018025,0.557304160098691,0.5351415255979713,0.5729088136522513
EOS-3-48652,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5ccc(Cl)nn5)nc4)n23)nc1,PMTMFOOAFJHGTQ-UHFFFAOYSA-N,3,1,0.366,33,760,484.867,1.497,5,0.362,0.62,0.997,0.543168734151189,0.3730724419162497,0.1957113974367761,0.13604276608868482,0.3119988348982249
EOS-3-48653,CCc1nc(-c2nnc3cncc(OCc4ccc(F)cc4Cl)n23)ccc1-c1nccc(C)n1,ZXXFOEBQICFRPV-UHFFFAOYSA-N,3,1,0.408,44,717,475.915,4.886,5,0.345,0.7,0.999,0.6437701322733191,0.728077239394147,0.509851963539168,0.5283907888424371,0.6025225310122678
EOS-3-48654,CCCn1nnnc1-c1nccc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)n1,XDYHCUJCNVTBNC-UHFFFAOYSA-N,3,1,0.351,67,789,481.484,2.233,6,0.33,0.67,1.0,0.2614711123295182,0.15679185799465423,0.004917414844767322,0.003443903776300459,0.10665607223631005
EOS-3-48655,Cc1cc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)nnc1Cl,BZFOGHJWHKXVIC-UHFFFAOYSA-N,3,1,0.585,16,232,447.861,4.323,5,0.396,0.48,1.0,0.9399458570351586,0.9012147899390035,0.7479439380439997,0.7590723733808512,0.8370442395997533
EOS-3-48656,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5csnn5)c(F)c4)n23)cc1,GNENXRRCRUQMGD-UHFFFAOYSA-N,3,1,0.346,3,923,469.48,5.317,6,0.348,0.74,1.0,0.1378503872250017,0.3491107532040299,0.8138578575834419,0.8665016105818656,0.5418301521485848
EOS-3-48657,Cc1cc(OCc2cncc3nnc(-c4ccc(-c5cncn5C)c(Cl)c4)n23)ccc1Cl,XKZIUMYKCUJYJD-UHFFFAOYSA-N,3,1,0.433,14,189,465.344,5.386,5,0.348,0.73,1.0,0.49711294633678293,0.5368891782605716,0.9000753889383867,0.9014803646083202,0.7088894695360154
EOS-3-48658,CCn1c(-c2cccc(F)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3F)n12,YVCIRLXPUQFQEC-UHFFFAOYSA-N,3,1,0.4,8,474,484.474,3.81,6,0.366,0.66,1.0,0.10796038653964773,0.3153913371256254,0.21660612706462887,0.3375625385511617,0.24438009732026592
EOS-3-48659,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)n1,VHXGSQUWRJGGKQ-UHFFFAOYSA-N,3,1,0.465,65,349,412.417,1.758,5,0.406,0.6,1.0,0.57522616681516,0.34911932012884656,0.07383832499485984,0.06208450414639161,0.26506707902131454
EOS-3-48660,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc(Cl)n1,LYMOPCLUECVHHM-UHFFFAOYSA-N,3,1,0.43,7,354,454.281,3.263,5,0.294,0.6,0.999,0.5405215543828388,0.6366510177506682,0.36280069906106505,0.4074857789048043,0.48686476252484406
EOS-3-48661,Fc1ccc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)cc1-c1cccnc1F,WFCBORJQWLGKOF-UHFFFAOYSA-N,3,1,0.518,59,89,451.824,4.154,5,0.293,0.66,1.0,0.8922709204304023,0.9037077650606539,0.8849204989377013,0.8812624220409842,0.8905404016174354
EOS-3-48662,Cc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,KGBZXLNPUKUSDT-UHFFFAOYSA-N,3,1,0.517,75,583,410.441,2.968,5,0.421,0.67,1.0,0.6622489891028717,0.4157100267288054,0.1536906312110205,0.12326091426221643,0.33872764032622854
EOS-3-48663,Cc1nc(-c2nc(C)sc2-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)n(C)n1,FQBUJOCNHVCTTA-UHFFFAOYSA-N,3,1,0.308,66,455,472.46,3.06,5,0.392,0.53,0.987,0.1489531217874032,0.14155129874580222,0.09672058118017957,0.07442087588239325,0.11541146939894456
EOS-3-48664,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)c(F)c1F,BPPWXWOPISCREY-UHFFFAOYSA-N,3,1,0.297,74,836,488.433,3.62,6,0.402,0.68,0.998,0.25874683023781786,0.35877424439723116,0.45790213145089437,0.5480861489959564,0.40587733877047494
EOS-3-48665,c1ccc(-c2ncsc2COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1,IJVNYNYOZQXJAE-UHFFFAOYSA-N,3,1,0.506,12,427,463.526,4.951,6,0.345,0.71,1.0,0.6181464601466657,0.48649852648893155,0.37803269138510043,0.3762679048728668,0.4647363957233911
EOS-3-48666,Cc1cc(C#N)ccc1-c1nnc2cncc(OCc3cncc(-c4ccoc4)n3)n12,LUQKJFKDMOIYCP-UHFFFAOYSA-N,3,1,0.438,7,408,409.409,3.6,5,0.432,0.76,1.0,0.537985744637105,0.46451579740936194,0.5866030429716949,0.5183417860324858,0.5268615927626619
EOS-3-48667,Clc1ccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)n2)cc1,SBCCFTVZEQLOSV-UHFFFAOYSA-N,3,1,0.375,32,327,468.933,5.087,6,0.355,0.68,1.0,0.14586046192858612,0.4337948050167912,0.47503598108423,0.5806318963744774,0.4088307861010212
EOS-3-48668,Cn1cc(C(F)F)nc1-c1ccc(CCc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,KRVFCTOFIYPOKY-UHFFFAOYSA-N,3,1,0.417,14,886,465.895,4.963,5,0.354,0.68,1.0,0.4162154752929888,0.5943475430059626,0.7379377698581318,0.7489205674730999,0.6243553389075458
EOS-3-48669,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)ncn4)n23)nc1,LXOLTDFNJKZZMX-UHFFFAOYSA-N,3,1,0.356,80,34,480.467,3.157,6,0.331,0.63,0.959,0.4847508738263313,0.4557004317730108,0.3477486121581797,0.2848331163045713,0.3932582585155233
EOS-3-48670,Fc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(OC(F)F)nc5)n34)c2)c1,CGZMWASXWVHNAE-UHFFFAOYSA-N,3,1,0.433,18,840,479.422,4.005,5,0.329,0.67,1.0,0.7703635802892194,0.7766431361798369,0.8532143101912137,0.7994140223425399,0.7999087622507024
EOS-3-48671,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nc(Cl)ccc5Br)nc4)n23)cn1,MNZMUZOOBZJDCN-UHFFFAOYSA-N,3,1,0.387,96,478,478.741,5.035,5,0.338,0.76,0.99,0.2827856212733877,0.3919282434377356,0.6529967103008704,0.6923360290590089,0.5050116510177507
EOS-3-48672,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cc2)c1F,WHOCNCVOIKPTBS-UHFFFAOYSA-N,3,1,0.346,93,107,463.451,5.256,6,0.355,0.66,1.0,0.3465578096086629,0.4732540607223631,0.8518264683709136,0.8965201151394695,0.6420396134603523
EOS-3-48673,Fc1ccncc1CCOc1cncc2nnc(-c3cnnc(-c4cccnn4)c3)n12,UURGREPIUQFVBX-UHFFFAOYSA-N,3,1,0.489,53,778,415.392,2.194,5,0.411,0.53,0.914,0.7199643615927627,0.6463402097183195,0.2962870947844562,0.31853539853334245,0.4952817661572202
EOS-3-48674,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cc1F,QMUHGFJXNDOXFS-UHFFFAOYSA-N,3,1,0.365,93,68,462.488,5.459,6,0.34,0.76,1.0,0.06013124528819135,0.30005654170379,0.8860770337879514,0.8601106846686314,0.5265938763621411
EOS-3-48675,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5sc(Cl)nc5Cl)nc4)n23)cn1,JFAYIFPCMIWRET-UHFFFAOYSA-N,3,1,0.512,55,85,471.333,4.294,5,0.374,0.65,1.0,0.7731563977794531,0.7682475498595024,0.22731478308546363,0.287523130697005,0.5140604653553561
EOS-3-48676,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4cnc(-c5ccc(F)c(F)c5)nn4)n23)c1,HIKYNVHWIDQJGA-UHFFFAOYSA-N,3,1,0.387,3,192,482.429,4.79,6,0.357,0.69,1.0,0.36242375436913166,0.5742067027619766,0.8157768487423754,0.8730124734425331,0.6563549448290042
EOS-3-48677,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)c(Cl)c5)n34)cn2)n(C)n1,ZGISLFQXVRZZLD-UHFFFAOYSA-N,3,1,0.44,13,374,467.867,5.279,5,0.35,0.74,1.0,0.5379943115619217,0.6612038242752382,0.884929065862518,0.8387961757247618,0.7307308443561099
EOS-3-48678,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1nccn1C,KOPBYFVPRVIAGO-UHFFFAOYSA-N,3,1,0.417,65,551,480.891,3.404,5,0.349,0.61,0.993,0.6409259132341855,0.4865070934137482,0.3628092659858817,0.32160235761770956,0.45296115756288124
EOS-3-48679,COc1nc(-c2nnc3cncc(OCCc4ncc(F)cc4F)n23)ccc1-c1ncc(F)cn1,JDPWVZFKGCCBGB-UHFFFAOYSA-N,3,1,0.4,49,896,480.41,3.086,5,0.347,0.6,0.998,0.7847046124323213,0.6707388115961894,0.3780412583099171,0.34711465972174627,0.5451498355150435
EOS-3-48680,Fc1cc(-c2cccc(Cl)n2)ccc1-c1nnc2cncc(OCCc3ccsc3)n12,GBMSHCLVJLDOHF-UHFFFAOYSA-N,3,1,0.565,11,0,451.914,5.329,5,0.326,0.74,1.0,0.934831402919608,0.9289544924953739,0.8229473648139264,0.8516465629497636,0.884594955794668
EOS-3-48681,Clc1cncc(-c2cc(-c3nnc4cncc(OCCc5ncsc5Cl)n34)ncn2)c1,IHAFFVANODALAC-UHFFFAOYSA-N,3,1,0.394,18,194,471.333,4.028,5,0.366,0.59,0.983,0.5354670687410047,0.5368977451853882,0.27425296415598654,0.4267442258926736,0.4433405009937632
EOS-3-48682,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c(Cl)c1,GSIJYYDBMQHJHE-UHFFFAOYSA-N,3,1,0.351,32,693,470.949,5.031,6,0.359,0.7,1.0,0.1877527242820917,0.2794273867452539,0.6320848468233843,0.6602700294702214,0.4398837468302378
EOS-3-48683,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5C#N)n34)co2)s1,VRHYZEHJGYQSLZ-UHFFFAOYSA-N,3,1,0.415,92,185,455.912,4.377,5,0.383,0.61,1.0,0.5380028784867384,0.5232506339524364,0.30707285312864097,0.3343499417449112,0.4256690768281817
EOS-3-48684,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)cn2)cc1,CYTFLJISWKEDNO-UHFFFAOYSA-N,3,1,0.343,32,20,432.512,5.644,6,0.36,0.76,1.0,0.10567301761359742,0.13783325337536836,0.6721951888150229,0.7145500651086286,0.4075628812281543
EOS-3-48685,COc1ccc(-c2cnc(-c3nnc4cncc(Cc5cnc(C(F)(F)F)cn5)n34)c(F)c2)cn1,LMESCNIEBZYNSU-UHFFFAOYSA-N,3,1,0.305,85,674,482.401,3.796,5,0.349,0.65,1.0,0.52529812898362,0.6612123912000548,0.8693372626961826,0.72506168185868,0.6952273661846344
EOS-3-48686,Fc1cnnc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)c1,UXFQNQVSRGSJKJ-UHFFFAOYSA-N,3,1,0.389,46,511,452.812,3.549,5,0.373,0.46,1.0,0.6588650538002878,0.5987937769858132,0.7569649098759509,0.7790504420533205,0.6984185456788431
EOS-3-48687,OCc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccc2F)s1,OVWLOGRKGMBDGY-UHFFFAOYSA-N,3,1,0.511,4,554,473.942,4.84,5,0.38,0.74,1.0,0.7349307792474813,0.8324909190596943,0.6993780412583099,0.7250702487834967,0.7479674970872455
EOS-3-48688,Fc1ccc(-c2cnccc2-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)cc1Cl,ZGHMXYOXGANNNX-UHFFFAOYSA-N,3,1,0.343,14,476,467.842,4.964,5,0.363,0.6,1.0,0.44151360427660885,0.5693920910150092,0.9306421766842574,0.9377698581317251,0.7198294325269001
EOS-3-48689,N#Cc1ccc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)cc1,ANHFBFHQUIBMDA-UHFFFAOYSA-N,3,1,0.577,1,347,410.462,4.365,5,0.428,0.8,1.0,0.7471215132615996,0.7852186279213214,0.6026231923788636,0.6015608937015968,0.6841310568158453
EOS-3-48690,FCc1cc(-c2cccc(-c3nnc4cncc(Oc5cccc(F)c5)n34)c2)ccn1,IVXXRDSMHVSICL-UHFFFAOYSA-N,3,1,0.63,57,480,415.403,5.254,5,0.392,0.75,1.0,0.6588736207251045,0.7280858063189637,0.9066976218216709,0.905095606880954,0.7996881639366733
EOS-3-48691,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccc(Cl)n6)cn5)n34)cc2)n1C,YXFHHJQQYLUJOD-UHFFFAOYSA-N,3,1,0.351,38,167,479.935,4.673,6,0.338,0.73,1.0,0.26414399287231854,0.2691642108148859,0.4507658830786101,0.4583047769172778,0.3605947159207731
EOS-3-48692,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)sn1,QILISZQTKSEJCC-UHFFFAOYSA-N,3,1,0.338,10,179,471.937,4.426,6,0.375,0.61,1.0,0.07712802412446028,0.19422931944349256,0.2629274895483517,0.42675279281749023,0.2402594064834487
EOS-3-48693,Fc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)ccn1,TTZDNRUHFCSLJH-UHFFFAOYSA-N,3,1,0.386,50,243,410.323,2.301,5,0.415,0.64,0.974,0.020235076416969363,0.2488263313001165,0.42536495099719007,0.4520680556507436,0.2866236035912549
EOS-3-48694,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5cncs5)ccn4)n23)c1,UMQYIIDZUVLJIP-UHFFFAOYSA-N,3,1,0.43,18,840,449.927,4.288,5,0.357,0.56,1.0,0.5484031252141731,0.5461928586114728,0.40008395586320333,0.4140480433143719,0.4771819957508052
EOS-3-48695,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nn5)c4)n23)cc1,VTGUYKVIMKLHGQ-UHFFFAOYSA-N,3,1,0.63,72,996,481.85,4.477,5,0.335,0.69,1.0,0.9544667945994106,0.9272839421561236,0.9034421903913371,0.879797477897334,0.9162476012610513
EOS-3-48696,Cc1cccc(COc2cncc3nnc(-c4cnnc(-c5ccnc(F)c5)c4)n23)n1,SCPZQHVIQJYUOH-UHFFFAOYSA-N,3,1,0.478,4,464,414.404,3.065,5,0.404,0.58,1.0,0.46012953190322803,0.4818980878623809,0.45077445000342675,0.39215098348296895,0.4462382633130012
EOS-3-48697,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c(F)c(Cl)n1,XCKADCLIHXPMCI-UHFFFAOYSA-N,3,1,0.444,55,908,472.271,3.402,5,0.358,0.54,0.998,0.7012798985676102,0.7637156466314852,0.49243540538688235,0.5866373106709616,0.6360170653142347
EOS-3-48698,Cc1cc(-c2nnc3cncc(-c4ccc(Oc5ccc(F)nc5)cc4)n23)cc(C)n1,FPOIBUZJCIMAOA-UHFFFAOYSA-N,3,1,0.341,96,586,412.428,4.797,5,0.395,0.78,1.0,0.462425467754095,0.4960335138098828,0.7665769995202522,0.6951288465492427,0.6050412069083682
EOS-3-48699,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cnc5Cl)n34)c2)cc(CO)n1,VEHQVRDUJYUZIQ-UHFFFAOYSA-N,3,1,0.408,2,419,477.887,3.816,5,0.367,0.61,1.0,0.6437786991981358,0.6412514563772188,0.7665855664450689,0.717043040230279,0.6921646905626757
EOS-3-48700,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cnn2)ccn1,XHJFSFCNNDNXFM-UHFFFAOYSA-N,3,1,0.469,87,778,448.849,3.452,5,0.364,0.46,0.961,0.6834692618737578,0.772411075320403,0.5638492906586252,0.6226697964498663,0.660599856075663
EOS-3-48701,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nccnn5)cn4)n23)cc1F,BBNIYYRTKKLROA-UHFFFAOYSA-N,3,1,0.49,89,788,482.439,2.01,5,0.34,0.63,1.0,0.5585549311219244,0.4110924542526215,0.34374785826879584,0.26102563223905145,0.3936052189705983
EOS-3-48702,c1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)c2)cc1,BCWSSTSPSZAPPX-UHFFFAOYSA-N,3,1,0.33,93,987,426.483,5.582,6,0.368,0.75,1.0,0.14896168871221988,0.1529710095264204,0.7910270029470221,0.8245236789801933,0.47937084504146393
EOS-3-48703,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c(F)c1,YZINTTPNIMMVGT-UHFFFAOYSA-N,3,1,0.447,26,772,467.867,4.58,5,0.34,0.63,1.0,0.7677849359194023,0.7052977863066274,0.8577633472688644,0.8366458775957782,0.7918729867726682
EOS-3-48704,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)nn2)n(C(F)F)n1,IPPCQPLIIMZJJY-UHFFFAOYSA-N,3,1,0.289,98,63,483.446,3.667,6,0.361,0.65,0.994,0.18212425467754095,0.20334452744842713,0.24889486669864985,0.26401548900006855,0.22459478445617162
EOS-3-48705,Cn1cc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)nc4)n23)c(C(F)F)n1,ZHGUZQXSQOIKQJ-UHFFFAOYSA-N,3,1,0.329,50,542,408.376,2.32,5,0.449,0.67,0.971,0.10044719347543006,0.16053560413953807,0.23812624220409842,0.1882581728462751,0.1718418031663354
EOS-3-48706,CCc1nc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1cncn1CC,FRIHXHDGUQEJLC-UHFFFAOYSA-N,3,1,0.473,26,1,445.914,5.078,5,0.362,0.65,0.76,0.3901720238503187,0.5277568364060037,0.37804982523473374,0.4107926118840381,0.4266928243437736
EOS-3-48708,N#Cc1ncccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)nc1,CQONSPLWCFGCRR-UHFFFAOYSA-N,3,1,0.354,32,20,470.471,4.988,6,0.357,0.63,1.0,0.2938626550613392,0.4911417997395655,0.822955931738743,0.8306747309985607,0.609658779384552
EOS-3-48709,COc1ncc(-c2nnc3cncc(OCCc4ccnc(C)c4)n23)cc1-c1ccc(F)c(C)c1,CYMYABDWQYNEGU-UHFFFAOYSA-N,3,1,0.537,35,657,470.508,4.634,5,0.343,0.68,1.0,0.7471300801864162,0.6854139538071414,0.7045438969227606,0.5417980261805222,0.6697214892742102
EOS-3-48710,Cc1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)nnc1Cl,GFYHEPLMLWGUSA-UHFFFAOYSA-N,3,1,0.54,4,32,447.861,4.323,5,0.396,0.49,1.0,0.8691659241998492,0.896845658282503,0.7070197381947776,0.7198187238708793,0.7982125111370023
EOS-3-48711,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)cc1,QRFJFTZWBONHGC-UHFFFAOYSA-N,3,1,0.384,93,479,450.502,5.783,6,0.34,0.8,1.0,0.24540812829826605,0.4291258309917072,0.7929802618052224,0.8265540401617435,0.5735170653142347
EOS-3-48712,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ncn2)ccc1Cl,QWLPYFWZOIGXQE-UHFFFAOYSA-N,3,1,0.426,44,130,478.343,4.88,5,0.344,0.7,0.991,0.6984356795284764,0.6854225207319581,0.6939723116989925,0.7590809403056679,0.7092278630662737
EOS-3-48713,COc1cccc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ccc(F)nn5)c4)n23)n1,WXMKYGFSDHJWFV-UHFFFAOYSA-N,3,1,0.459,58,132,478.875,3.461,5,0.324,0.61,0.373,0.7044753615242273,0.7144815297100953,0.3780583921595504,0.3406980330340621,0.5344283291069838
EOS-3-48714,COc1nc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1ncc(Cl)cn1,WTPIUAHZLNLTJO-UHFFFAOYSA-N,3,1,0.42,49,896,478.875,3.461,5,0.324,0.61,1.0,0.8226046878212597,0.6707473785210061,0.25580837502570075,0.24886916592419986,0.4995074018230416
EOS-3-48715,Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5c(Cl)ccc(F)c5F)n34)c2)on1,MNZXAWRXKFDYTN-UHFFFAOYSA-N,3,1,0.449,84,503,468.851,4.703,5,0.333,0.67,1.0,0.6713727640326228,0.6181207593722158,0.8321568089918443,0.82453224590501,0.7365456445754233
EOS-3-48716,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)cn2)cs1,RWNZOZIVZIMOIS-UHFFFAOYSA-N,3,1,0.488,59,109,470.892,5.129,5,0.331,0.8,1.0,0.8515094921526969,0.873038174216983,0.8419830717565623,0.8388047426495785,0.8513338701939551
EOS-3-48717,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6nnnn6C)n5)n34)c2)s1,AROLBOXMVKIZBZ-UHFFFAOYSA-N,3,1,0.449,71,506,483.521,2.783,6,0.348,0.67,1.0,0.212528270851895,0.23322596120896444,0.025426632855870056,0.021562949763552875,0.12318595367007058
EOS-3-48718,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cccc(-c4cccnn4)n3)n12,NCSFAVBOVYUDQW-UHFFFAOYSA-N,3,1,0.468,27,268,450.384,3.694,5,0.361,0.5,0.996,0.6437872661229525,0.7682561167843192,0.6968165307381262,0.6140686039339319,0.6807321293948324
EOS-3-48719,N#Cc1ccc(-c2nnc3cncc(-c4cnncc4-c4ccc(Cl)cc4)n23)cc1,FKCGQLZOJUOMNY-UHFFFAOYSA-N,3,1,0.479,96,3,409.84,4.44,5,0.437,0.73,1.0,0.3764392433692002,0.6035227194846138,0.9104842025906381,0.9411966280583921,0.7079106983757111
EOS-3-48720,OCc1ccc(-c2nnc3cncc(OCc4cc(-c5nccc(Cl)n5)cnc4F)n23)nc1,JJEMPJKZEMTPDI-UHFFFAOYSA-N,3,1,0.408,46,959,464.848,2.902,5,0.298,0.63,0.999,0.7931173326022891,0.6753820848468234,0.547503598108423,0.5248697827427866,0.6352181995750805
EOS-3-48721,CCc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)n1,KGLDJCPLDONDGG-UHFFFAOYSA-N,3,1,0.448,87,173,457.925,4.481,5,0.333,0.6,1.0,0.5956925502021794,0.7098553903090946,0.4036135288876705,0.4012918922623535,0.5276133404153245
EOS-3-48722,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c(F)cc1F,WFIRCUBTKLSAHD-UHFFFAOYSA-N,3,1,0.453,20,279,469.843,2.93,5,0.373,0.49,0.999,0.5808974710437941,0.569400657939826,0.47504454800904666,0.541806593105339,0.5417873175245014
EOS-3-48723,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)nc2)n1C,OMOIFQSSJSXEOB-UHFFFAOYSA-N,3,1,0.341,27,412,452.4,4.159,5,0.37,0.53,1.0,0.6208793091631828,0.6463487766431362,0.712091357686245,0.5581865533548077,0.6343764992118429
EOS-3-48724,CCOc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,FEGIKLIJSOMIOT-UHFFFAOYSA-N,3,1,0.457,65,804,478.463,3.28,5,0.335,0.61,0.761,0.5927969296141457,0.41571859365362207,0.3365002398738949,0.2640240559248852,0.402259954766637
EOS-3-48725,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cnnc(-c5cccc(C#N)n5)c4)n23)c1,KEKSXJPKSNCMCY-UHFFFAOYSA-N,3,1,0.422,58,778,469.896,3.493,5,0.343,0.56,0.821,0.8016842574189569,0.797400795010623,0.4436382016311425,0.44882975807004316,0.6228882530326914
EOS-3-48726,Brc1cncc(CCOc2cncc3nnc(-c4cc(-c5cncs5)ccn4)n23)c1,JYMDRBNZTIHWER-UHFFFAOYSA-N,3,1,0.461,18,840,480.351,4.089,5,0.362,0.63,1.0,0.5431773010760057,0.49604208073469946,0.3663988074840655,0.3697313412377493,0.44383738263313
EOS-3-48727,Fc1cc(-c2ccccc2)cc(-c2nnc3cncc(OCCc4nc(Cl)ccc4F)n23)c1,YRKOKVFRWIGCNU-UHFFFAOYSA-N,3,1,0.552,57,962,463.875,5.406,5,0.315,0.77,1.0,0.9464738537454596,0.9523164964704269,0.8989445548625865,0.9310191213761908,0.9321885066136659
EOS-3-48728,CC(O)(c1ccccc1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,PCIYPYSKWYSDSM-UHFFFAOYSA-N,3,1,0.344,17,68,458.525,4.9,6,0.397,0.6,1.0,0.035090124049071345,0.09802275375231306,0.9377612912069083,0.9038962374066205,0.4936926016037283
EOS-3-48729,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4cccc(C#N)n4)n23)nn1C,UQCPBLWHLNZCJA-UHFFFAOYSA-N,3,1,0.394,53,105,413.405,1.166,5,0.415,0.59,1.0,0.13265026386128434,0.08562641354259475,0.03736892605030498,0.032545747378521006,0.07204783770817627
EOS-3-48730,CCc1cncc2nnc(-c3ccc(-c4c(Cl)cnn4-c4ccc(-c5nncn5C)cc4)nc3)n12,DYOXSGXPUMQZBI-UHFFFAOYSA-N,3,1,0.34,98,314,482.939,4.05,6,0.365,0.66,1.0,0.08165136042766089,0.16840860804605579,0.1991724350627099,0.24592214378726612,0.17378863683092316
EOS-3-48731,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccncc5OCc5cccc(F)c5)n34)cc2)n1,UGYZSAKHIJAQQN-UHFFFAOYSA-N,3,1,0.356,3,791,479.479,3.762,6,0.355,0.6,1.0,0.43442875745322457,0.42913439791652386,0.5135014735110685,0.5080700431773011,0.47128366801452953
EOS-3-48733,Fc1cnc(-c2cc(F)cc(F)c2-c2nnc3cncc(-c4cnc(-c5cccnn5)nc4)n23)nc1,ZRZPKXUJEBGCQS-UHFFFAOYSA-N,3,1,0.317,86,902,484.405,3.58,6,0.37,0.62,1.0,0.3855458844493181,0.532211637310671,0.527208553217737,0.592788362689329,0.5094386094167638
EOS-3-48734,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(C#N)n5)n34)ccn2)cn1,BWBKULCLHQOOFV-UHFFFAOYSA-N,3,1,0.494,92,860,409.413,2.432,5,0.434,0.69,1.0,0.31217017339455827,0.27426153108080326,0.3964173120416695,0.29975669933520666,0.3206514289630594
EOS-3-48735,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c(F)cn2)s1,KHXDIKLRMXVSRL-UHFFFAOYSA-N,3,1,0.472,55,69,469.452,4.669,5,0.357,0.66,0.931,0.814628880816942,0.8251661983414433,0.7405421150023987,0.6461346035227195,0.7566179494208759
EOS-3-48736,CCOc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nc2)c1,ZIHAGUJFGXBAJD-UHFFFAOYSA-N,3,1,0.573,79,198,471.948,5.527,5,0.296,0.87,1.0,0.7409361935439654,0.7892793502844219,0.7910355698718388,0.7740730587348366,0.7738310431087657
EOS-3-48737,CC#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)cn1,ZHVDBLZPXBATCI-UHFFFAOYSA-N,3,1,0.438,4,354,454.881,3.642,5,0.293,0.6,1.0,0.5405301213076554,0.7934514426701391,0.5866116098965115,0.5115910492769515,0.6080460557878145
EOS-3-48738,FC(F)c1cc(-c2ccc(CCc3cncc4nnc(-c5ccc(Cl)nc5)n34)nn2)ccn1,NUWMDQQSDHDMDY-UHFFFAOYSA-N,3,1,0.372,85,476,464.867,4.415,5,0.343,0.55,0.951,0.4208501816188061,0.6035312864094304,0.6805822082105407,0.70063737920636,0.6014002638612843
EOS-3-48739,Cc1ccc(C)c(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,CDIKDOKGMCQXNS-UHFFFAOYSA-N,3,1,0.471,89,183,413.506,5.111,5,0.401,0.84,1.0,0.48475944075114796,0.3537368926050305,0.6993866081831266,0.6015694606264136,0.5348631005414296
EOS-3-48740,CCOc1ccc(C#N)cc1-c1ccnc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)c1,BOBZJGXEJWFFLT-UHFFFAOYSA-N,3,1,0.368,49,160,481.491,4.545,5,0.333,0.74,1.0,0.6208878760879994,0.5604824892056748,0.8077496401891577,0.6837605373175245,0.6682201357000891
EOS-3-48741,Fc1c(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)ccnc1Cl,ZRPRUNFQNFEMSF-UHFFFAOYSA-N,3,1,0.59,75,496,452.902,4.724,5,0.347,0.61,1.0,0.8016928243437735,0.8017442258926736,0.7455451990953328,0.7590895072304845,0.777017939140566
EOS-3-48742,Cc1nc(-c2nnc3cncc(OCCc4cnc(F)c(F)c4)n23)ncc1-c1ncc(F)n1C,HSXXEKGLPPXXCD-UHFFFAOYSA-N,3,1,0.43,65,262,467.415,2.724,5,0.351,0.52,1.0,0.6208964430128161,0.5322202042354877,0.2780309780001371,0.2788962374066205,0.42751096566376534
EOS-3-48743,CS(=O)(=O)c1ccc(-c2cncc3nnc(-c4nccnc4-c4cnc(Cl)cc4F)n23)cn1,TVQAXCIMCOLWIT-UHFFFAOYSA-N,3,1,0.292,82,961,482.888,2.901,5,0.355,0.62,0.786,0.12682475498595025,0.3050167911726407,0.20626584881091084,0.31854396545815916,0.23916284010691524
EOS-3-48744,COc1cc(-c2nnc3cncc(OCc4sc(F)cc4Cl)n23)ccc1-c1nccn1C,CQZSCFLSZKGTCU-UHFFFAOYSA-N,3,1,0.453,16,375,470.917,4.633,5,0.36,0.62,1.0,0.6380045918717018,0.6463573435679528,0.65024672743472,0.5708827359331095,0.626372849701871
EOS-3-48745,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3nnc(-c4cccc(Br)n4)[nH]3)n12,WBKMYBONPDRUSJ-UHFFFAOYSA-N,3,1,0.374,22,730,471.681,4.193,5,0.396,0.56,0.73,0.3245922143787266,0.5847354533616613,0.6026317593036804,0.7667654718662189,0.5696812247275718
EOS-3-48746,COc1cc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCc3ncc(F)c(F)n3)n12,QRWMQSMZRUHYDR-UHFFFAOYSA-N,3,1,0.4,51,379,462.42,3.213,5,0.351,0.51,1.0,0.7789647728051539,0.6317764375299842,0.4684651497498458,0.33112877801384416,0.552583784524707
EOS-3-48747,Fc1ccc(Cl)cc1-c1cc(-c2nnc3cncc(OCc4ccns4)n23)ncn1,CDNHWFZPJYKBCY-UHFFFAOYSA-N,3,1,0.422,44,488,439.863,4.076,5,0.407,0.51,0.989,0.5670704543896923,0.584744020286478,0.5995390994448633,0.6837691042423412,0.6087806695908436
EOS-3-48748,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)nc2F)n1,GLUBLLMTQAYTGW-UHFFFAOYSA-N,3,1,0.4,31,658,418.396,1.83,5,0.41,0.53,0.996,0.5072733191693509,0.5005825508875335,0.07154238914399287,0.06527140017819204,0.2861674148447673
EOS-3-48749,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5F)n34)nn2)c(F)n1,RSJQRROMOBNLMO-UHFFFAOYSA-N,3,1,0.406,53,411,447.409,2.641,5,0.286,0.59,0.962,0.770372147214036,0.6133061476252485,0.3182612569392091,0.30627612912069085,0.5020539202247961
EOS-3-48751,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)s2)nc1,JYPJSEBUHLOPOX-UHFFFAOYSA-N,3,1,0.395,76,423,412.453,4.901,5,0.421,0.77,1.0,0.3147231169899253,0.5093807826742512,0.8467034473305463,0.8366544445205949,0.6268654478788294
EOS-3-48752,CCc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ncc(Cl)cn1,WKZFSXIOZQTNBI-UHFFFAOYSA-N,3,1,0.449,18,717,476.903,4.015,5,0.324,0.63,1.0,0.8120759372215749,0.7766517031046536,0.2889880748406552,0.32454937975464326,0.5505662737303818
EOS-3-48753,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(-c5ncccn5)c4)n23)cn1,BOMUTQFIEPEYMC-UHFFFAOYSA-N,3,1,0.43,6,870,481.907,4.49,6,0.354,0.7,1.0,0.5122849701871016,0.6561921732574875,0.4957508052909328,0.4827290795695977,0.5367392570762799
EOS-3-48754,Cc1nnc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3Cl)n12,CCMGGSNYLTVBSF-UHFFFAOYSA-N,3,1,0.516,37,610,482.335,3.614,5,0.361,0.64,1.0,0.5535175793297238,0.6659756013981222,0.25256151052018366,0.3311373449386608,0.4507980090466726
EOS-3-48756,Cn1cnc(-c2cnc(-c3nnc4cncc(OCCc5sccc5Cl)n34)cc2Cl)c1,HFLGMZHSLLQTGF-UHFFFAOYSA-N,3,1,0.429,31,779,472.361,4.577,5,0.36,0.61,1.0,0.6652388458638887,0.6035398533342471,0.4750531149338633,0.5806404632992941,0.5811180693578233
EOS-3-48757,Fc1cnc(-c2ncc(F)cc2-c2nnc3cncc(Cc4cnc(C(F)(F)F)s4)n23)nc1,AYMKTCZMDAULIE-UHFFFAOYSA-N,3,1,0.322,73,260,476.394,3.988,5,0.362,0.58,1.0,0.36712699609348226,0.45570899869782744,0.7145757658830786,0.6545644575423206,0.5479940545541773
EOS-3-48758,Cc1cc(-c2nnc3cncc(OCc4cnnc(-c5nncc(C)n5)c4)n23)ccn1,YFAPFFUQGRFOQZ-UHFFFAOYSA-N,3,1,0.512,92,571,412.417,2.024,5,0.422,0.59,0.999,0.392253786580769,0.1989068603933932,0.07155095606880954,0.050733328764306765,0.17836123295181963
EOS-3-48759,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cc(F)ncc1OC,VNXYHKYUKNSLIM-UHFFFAOYSA-N,3,1,0.467,16,103,464.482,4.045,5,0.333,0.6,1.0,0.6895089438695086,0.622395654855733,0.6236121581796998,0.429879720375574,0.5913491193201288
EOS-3-48760,OCc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)c(F)n2)c(Cl)c1,DRJYQIOIOZOTMP-UHFFFAOYSA-N,3,1,0.462,55,283,469.889,3.569,5,0.376,0.58,1.0,0.6527654033308203,0.7098639572339113,0.5064594613117676,0.5318432595435543,0.6002330203550132
EOS-3-48761,Fc1ncccc1-c1nc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cs1,BNJZGRLGNBRLTM-UHFFFAOYSA-N,3,1,0.511,27,69,455.425,4.361,5,0.351,0.64,1.0,0.6497669796449866,0.7892879172092385,0.7019395517784935,0.6282982660544171,0.692323178671784
EOS-3-48762,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4F)n23)c(Cl)c1,UWWPDPBAJICAKZ-UHFFFAOYSA-N,3,1,0.512,57,146,455.877,5.425,5,0.354,0.75,1.0,0.8794119662805839,0.9408539510657254,0.9357737646494414,0.9467822630388596,0.9257054862586527
EOS-3-48763,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c(Cl)n2)no1,IUPMVADMSGTUBR-UHFFFAOYSA-N,3,1,0.511,7,338,455.265,3.826,5,0.365,0.55,1.0,0.44152217120142556,0.5742152696867933,0.2594835857720513,0.3666215475292989,0.41046064354739226
EOS-3-48764,Cc1nccc(-c2ccc(-c3cncc4nnc(-c5cc(-c6cnn(C)c6C)ccc5F)n34)nc2)n1,DPWFXJWRSANHLL-UHFFFAOYSA-N,3,1,0.303,70,572,477.507,4.467,6,0.369,0.63,1.0,0.14039476389555205,0.2537608799945172,0.5064680282365842,0.4267613597423069,0.3318462579672401
EOS-3-48765,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnccc5Cl)cn4)n23)c(OC)c1,MYXIBMLAVHTGOC-UHFFFAOYSA-N,3,1,0.33,74,768,486.923,3.722,5,0.385,0.71,0.995,0.36950860119251594,0.37308100884106643,0.3437564251936125,0.26403262284970186,0.33759466451922415
EOS-3-48766,Cn1c(COc2ccccc2)nnc1Cc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,PXUOPTKCLPLQQT-UHFFFAOYSA-N,3,1,0.378,85,476,448.437,3.422,5,0.376,0.5,1.0,0.312178740319375,0.42467103008703994,0.2667397710917689,0.2875316976218217,0.3227803097800014
EOS-3-48767,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)nc5)n34)c(F)c2)n1,ZESYOKQRAQNGEP-UHFFFAOYSA-N,3,1,0.408,82,451,484.495,3.719,6,0.391,0.66,1.0,0.5122935371119183,0.42467959701185665,0.16000445480090467,0.16897402508395587,0.31648790350215883
EOS-3-48768,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)nc(Cl)c5)n34)cc2F)cc1=O,LAKXWNOQJHJHSS-UHFFFAOYSA-N,3,1,0.506,59,55,481.85,3.458,5,0.354,0.64,1.0,0.8068158453841409,0.6854310876567747,0.8056250428346241,0.795053457610856,0.773231358371599
EOS-3-48769,COc1nc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1cncc(C)n1,AJMDRJLARXKBTQ-UHFFFAOYSA-N,3,1,0.424,18,904,474.912,3.63,5,0.349,0.55,1.0,0.6468370913576863,0.5553080666164074,0.28899664176547185,0.24021657185936537,0.43283959289973273
EOS-3-48770,COc1ccc(-c2ccsc2)cc1COc1cncc2nnc(-c3ccc(C)c(F)c3)n12,LYQBBKCKEXHCMR-UHFFFAOYSA-N,3,1,0.506,97,91,446.507,5.555,5,0.342,0.75,1.0,0.8942584469878693,0.7594664519224179,0.9067061887464876,0.8327136591049277,0.8482861866904255
EOS-3-48771,Cc1ncc(CCOc2cncc3nnc(-c4cc(-c5ccnn5C)ncn4)n23)cn1,VIFVJGDXVNHOPV-UHFFFAOYSA-N,3,1,0.42,31,296,414.433,1.702,5,0.408,0.56,0.645,0.35319717634158043,0.06029401685970804,0.051735658967856896,0.02869919813583716,0.12348151257624564
EOS-3-48772,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5scnc5Cl)n34)c2)ccn1,MNZCJWVHXBILHD-UHFFFAOYSA-N,3,1,0.506,35,76,453.89,4.119,5,0.357,0.57,1.0,0.6622575560276883,0.7466674662463162,0.5064765951614009,0.5896271674319786,0.626257196216846
EOS-3-48773,Cc1cc(Cl)cc(-c2nnc3cncc(OCc4ccc(-c5cccnc5F)cc4)n23)c1,HJLSOUUQECPVMH-UHFFFAOYSA-N,3,1,0.582,1,326,445.885,5.533,5,0.333,0.76,1.0,0.8775615105201837,0.8812709889658008,0.9384723459666918,0.9352083476115414,0.9081282982660543
EOS-3-48774,Cn1nc(-c2nnc3cncc(Cc4ccc(Cl)cc4F)n23)cc1-c1ccc(C(F)F)nc1,KTFXXKVMADSMFC-UHFFFAOYSA-N,3,1,0.324,95,81,469.858,4.908,5,0.366,0.63,0.308,0.2317181824412309,0.3491278870536632,0.9171749708724556,0.9172349393461723,0.6038139949283805
EOS-3-48775,FC(F)c1ccc(-c2nnc3cncc(CCc4cc(Cl)cc(C(F)(F)F)c4)n23)cn1,BQJYLEZZSAYGNL-UHFFFAOYSA-N,3,1,0.409,66,225,453.802,5.581,4,0.37,0.73,0.999,0.6292663285587006,0.7637242135563018,0.9974898910287163,0.9965732300733329,0.846763415804263
EOS-3-48776,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCc4nncc(-c5cncnn5)n4)n23)c1,UAUNAKKYFZYALH-UHFFFAOYSA-N,3,1,0.365,80,843,480.427,2.003,6,0.342,0.59,1.0,0.5838530601055445,0.5462014255362895,0.13540024672743473,0.16898259200877253,0.3586093310945103
EOS-3-48777,N=c1nc(-c2ccc(Cl)cn2)cc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)[nH]1,DBXAZHGMYYACHD-UHFFFAOYSA-N,3,1,0.359,58,602,464.852,2.26,5,0.389,0.55,0.961,0.46730861489959563,0.3101569460626414,0.2273233500102803,0.2698238640257693,0.31865319374957163
EOS-3-48778,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cn(C(F)F)cn5)c4)n23)ccc1Cl,CGIVHMAVHUDKPI-UHFFFAOYSA-N,3,1,0.484,16,772,467.867,4.986,5,0.35,0.69,1.0,0.8120845041463917,0.8059163182783908,0.9398087862380919,0.9119148790350216,0.867431121924474
EOS-3-48779,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5Cl)cc4F)n23)cn1,KMNYLYXJUOPLTE-UHFFFAOYSA-N,3,1,0.324,82,204,485.91,4.6,6,0.39,0.74,0.999,0.30430573641285724,0.3730895757658831,0.5337793845521211,0.6893290384483586,0.47512593379480506
EOS-3-48780,FC(F)(F)c1ccc(COCc2cncc3nnc(-c4cncc(-c5csnn5)c4)n23)nn1,WQWKSCQOYGGULT-UHFFFAOYSA-N,3,1,0.374,53,52,471.428,3.23,5,0.368,0.52,1.0,0.23463950380371462,0.30502535809745734,0.6993951751079432,0.5581951202796245,0.4493137893221849
EOS-3-48781,Fc1cccc(-c2ccc(F)cc2-c2nnc3cncc(-c4cccc(-c5nnco5)c4)n23)c1,YAFYFJSFHNEZNP-UHFFFAOYSA-N,3,1,0.367,83,923,452.424,5.454,6,0.354,0.7,1.0,0.30158145432115685,0.47326262764717975,0.9034507573161538,0.9246281954629566,0.6507307586868618
EOS-3-48782,COc1ncc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccc(F)c(F)c1,ZIJYSNDBRGRCJK-UHFFFAOYSA-N,3,1,0.5,88,490,478.434,4.296,5,0.345,0.66,0.998,0.8851775066822014,0.8866081831265848,0.8561698992529642,0.810165512987458,0.8595302755123021
EOS-3-48783,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cccnc6Cl)nn5C)n34)nc2)n1C,SDTNDKYEZMPNLV-UHFFFAOYSA-N,3,1,0.274,99,852,483.927,3.406,6,0.35,0.67,0.666,0.0794667945994106,0.19423788636830924,0.07155952299362621,0.09262559111781235,0.1094724487697896
EOS-3-48784,Fc1ccc(-c2ccnc(-c3nnc4cncc(CCc5cc(Cl)cc(Cl)c5)n34)c2)nc1,YEEVVNPJFCGLIM-UHFFFAOYSA-N,3,1,0.358,14,692,465.319,5.479,5,0.344,0.73,1.0,0.37410047289424986,0.4246881639366733,0.8706822698923994,0.9277294222465904,0.6493000822424783
EOS-3-48785,COc1cc(-c2nnc3cncc(OCc4cc(F)ncc4Cl)n23)ccc1-c1ccc(C)nn1,UPJCWBMOMINYQD-UHFFFAOYSA-N,3,1,0.442,72,224,477.887,4.332,5,0.333,0.66,1.0,0.8226132547460764,0.7892964841340553,0.7503940785415667,0.6571859365362209,0.7548724384894798
EOS-3-48786,COc1nc(-c2nnc3cncc(OCc4ccc(C#N)c(Cl)c4)n23)ccc1-c1ncccn1,YKTBIELCYWPERE-UHFFFAOYSA-N,3,1,0.451,49,896,470.88,3.756,5,0.364,0.52,0.999,0.8120930710712083,0.7188763621410459,0.5741296004386266,0.5080786101021177,0.6532944109382497
EOS-3-48787,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cncs1,SHEVDQUDZFDRLS-UHFFFAOYSA-N,3,1,0.524,13,209,453.886,5.508,5,0.349,0.76,1.0,0.8349667603317114,0.832499485984511,0.8967085874854362,0.8699026797340826,0.8585193783839352
EOS-3-48788,CCc1nccc(Cc2cncc3nnc(-c4ccc(C(C)(C)N)cc4F)n23)c1F,YEEGEPKGPLWRQX-UHFFFAOYSA-N,3,1,0.36,78,9,408.456,3.812,4,0.543,0.68,0.974,0.3624323212939483,0.3684548694400658,0.8592539921869645,0.7145586320334453,0.5761749537386059
EOS-3-48789,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)cc1CF,IGJSCMVRJBPGGP-UHFFFAOYSA-N,3,1,0.489,35,778,441.47,4.043,5,0.376,0.49,1.0,0.6320505791241177,0.5896700020560619,0.6026403262284971,0.5318518264683709,0.5890531834692618
EOS-3-48790,Fc1ccncc1-c1cc(Cl)cc(Cc2cncc3nnc(-c4ccc(Cl)cc4F)n23)n1,LIDZJKZPKDOPND-UHFFFAOYSA-N,3,1,0.362,45,358,469.282,5.424,5,0.352,0.7,1.0,0.40728873963402096,0.67539065177164,0.9444863271879926,0.9738280446850799,0.7502484408196833
EOS-3-48791,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)cn5)n34)c(F)c2)ccn1,GLCLZCLBSNBUHN-UHFFFAOYSA-N,3,1,0.325,32,572,470.468,4.712,6,0.344,0.66,1.0,0.13520320745665135,0.37792132136248374,0.7756579398259201,0.8037574532245905,0.5231349804674114
EOS-3-48792,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cccc(-c4ccc(F)c(F)n4)c3)n12,LOJWQFGJWCTTAO-UHFFFAOYSA-N,3,1,0.471,57,145,453.811,5.716,5,0.326,0.81,1.0,0.8691744911246659,0.9289630594201905,0.9778802001233637,0.9824549379754643,0.9396181721609211
EOS-3-48793,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3cc(Cl)nc(C)c3F)n12,KEPJUWRPYYJNSB-UHFFFAOYSA-N,3,1,0.427,24,710,477.887,4.332,5,0.333,0.68,1.0,0.7761376876156535,0.7053063532314441,0.5337879514769378,0.44883832499485987,0.6160175793297238
EOS-3-48794,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCCc4ccnc(Cl)c4)n23)c1,RRBOWTVCVUDGSJ-UHFFFAOYSA-N,3,1,0.527,15,438,445.914,4.252,5,0.275,0.68,1.0,0.7439945857035158,0.6268675896100336,0.43622781166472485,0.45831334384209443,0.5663508327050922
EOS-3-48795,CCc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cncc(C)n1,QOJLYDVXNJHBSQ-UHFFFAOYSA-N,3,1,0.434,31,690,472.94,4.184,5,0.347,0.58,0.239,0.5752347337399767,0.6412600233020355,0.19571996436159275,0.2081077376464944,0.4050806147625248
EOS-3-48796,Cn1cnnc1C(C)(C)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCCO)cc4)n23)cn1,POZVEVZEMDTZIX-UHFFFAOYSA-N,3,1,0.314,52,269,483.536,2.03,5,0.359,0.69,1.0,0.12984887944623397,0.06030258378452471,0.10981084230004798,0.02870776506065383,0.08216751764786512
EOS-3-48797,Cc1cnc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cn6)c(F)c5)n34)c2)cn1,AGSDTDGCEIHXJV-UHFFFAOYSA-N,3,1,0.321,42,693,478.466,4.959,6,0.353,0.68,1.0,0.3440648344870125,0.4645243643341786,0.8211054759783428,0.8101740799122746,0.6099671886779521
EOS-3-48798,Cc1nc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)n(C(F)F)n1,OFXSBMWVEPYCBJ-UHFFFAOYSA-N,3,1,0.407,27,51,470.39,4.878,5,0.327,0.74,1.0,0.5983225961208964,0.6084315674045645,0.8338701939551778,0.7410989651154821,0.6954308306490302
EOS-3-48799,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ncccn5)c4)n23)s1,LFSMONAGACPAMN-UHFFFAOYSA-N,3,1,0.534,37,325,469.357,5.238,5,0.339,0.72,1.0,0.9552977863066274,0.9617915153176616,0.6415598656706188,0.7359845109999315,0.8236584195737098
EOS-3-48800,Cn1cc(COc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)cn1,ZMZRULSVQMQIRO-UHFFFAOYSA-N,3,1,0.53,16,772,407.434,3.366,5,0.444,0.8,1.0,0.532956959769721,0.5694092248646426,0.464824206702762,0.4171492700980056,0.49608491535878285
EOS-3-48801,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(C(C)(C)F)cn5)n34)ccc2F)cn1,VEAANUVYALUEQT-UHFFFAOYSA-N,3,1,0.462,7,535,474.475,4.269,5,0.359,0.63,1.0,0.6588821876499212,0.7329004180659311,0.6994037420327599,0.47963641971078064,0.6427056918648482
EOS-3-48802,N#Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)ccn2)ccc1F,XDZYENGKBGLXES-UHFFFAOYSA-N,3,1,0.667,59,13,474.858,5.236,5,0.346,0.76,1.0,0.9706582825029128,0.9592557055719279,0.9809557261325474,0.9821122609827976,0.9732454937975464
EOS-3-48803,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1ccc(F)nc1,CIJJQZRIRCVQBG-UHFFFAOYSA-N,3,1,0.512,35,657,477.887,4.066,5,0.323,0.65,1.0,0.827830511959427,0.8588427797957645,0.6831608525803577,0.6109416763758482,0.7451939551778494
EOS-3-48804,CCn1cncc1COc1cncc2nnc(-c3cnnc(-c4cccc(F)n4)c3)n12,PLVZRNKRUPCZRC-UHFFFAOYSA-N,3,1,0.394,53,617,417.408,2.578,5,0.388,0.55,0.998,0.36244088821876497,0.305033925022274,0.21329072716057842,0.18826673977109176,0.26725807004317725
EOS-3-48805,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)cc(Cl)n2)s1,BIXYCPUWHDMTRZ-UHFFFAOYSA-N,3,1,0.484,58,241,468.905,3.822,5,0.346,0.57,0.761,0.6320591460489343,0.7466760331711328,0.17605887190734015,0.25503735179220066,0.45245785072990197
EOS-3-48806,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5cscn5)s4)n23)cn1,KOZMMJSBMCDIGS-UHFFFAOYSA-N,3,1,0.423,6,843,474.535,3.141,6,0.358,0.57,1.0,0.2827941881982044,0.28467034473305464,0.02131450894386951,0.018127612912069085,0.15172666369679944
EOS-3-48807,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cnc(C)n5C)c4)n23)cc1,VSTGJCJUWARHEQ-UHFFFAOYSA-N,3,1,0.543,89,230,410.481,4.388,5,0.43,0.76,1.0,0.6041566719210473,0.3342728394215612,0.593019669659379,0.46445582893564524,0.4989762524844082
EOS-3-48808,CCOc1ccc(Cl)c(-c2nnc3cncc(-c4nn(C)cc4-c4ccccc4C)n23)c1,LTLYKYQQJNCIFB-UHFFFAOYSA-N,3,1,0.4,96,124,444.926,5.219,5,0.371,0.66,1.0,0.18776129120690838,0.3966143513124529,0.6694794736481393,0.6545730244671373,0.4771070351586595
EOS-3-48809,CCOCCOc1cn(C)nc1-c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,ASRQOXWHPZZGSV-UHFFFAOYSA-N,3,1,0.392,63,437,407.434,1.706,4,0.441,0.77,0.999,0.11334041532451511,0.011436844630251524,0.07813035432801042,0.03149201562607087,0.05859990747721198
EOS-3-48810,Cc1ccc(-c2nnc3cncc(CCc4cc(-c5cccc(F)c5)ns4)n23)cc1,NBWJHGDVUJKAFL-UHFFFAOYSA-N,3,1,0.411,14,886,415.497,5.148,5,0.398,0.82,1.0,0.3487852100609965,0.5005911178123501,0.5801692824343774,0.6632855870056884,0.523207799328353
EOS-3-48811,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)n1,KFEZDBTUMOVGND-UHFFFAOYSA-N,3,1,0.443,44,531,480.866,3.9,5,0.36,0.61,0.999,0.7847131793571379,0.755362894935234,0.5098605304639846,0.5866458775957782,0.6591456205880336
EOS-3-48812,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6cnn(C)c6)n5)n34)nc2)n[nH]1,IAZKRACBYNOFNQ-UHFFFAOYSA-N,3,1,0.371,6,549,482.483,3.398,6,0.383,0.61,0.271,0.3417774655609622,0.39193681036255223,0.34775717908299636,0.27265094921526967,0.3385306010554451
EOS-3-48813,c1ccc2nc(-c3ccc(-c4cncc5nnc(-c6ccc(-c7cncnc7)cn6)n45)cn3)cnc2c1,WOSZGUVCXNCQND-UHFFFAOYSA-N,3,1,0.245,94,170,480.495,4.316,7,0.363,0.63,0.96,0.08842779795764512,0.10434514426701391,0.417808923308889,0.44566856281269274,0.26406260708656015
EOS-3-48814,Cc1cnnc(COc2cncc3nnc(-c4cc(-c5ccc(-c6nnn(C)n6)cn5)ccn4)n23)c1,KXSUYFBPGBXOJO-UHFFFAOYSA-N,3,1,0.37,71,502,478.48,2.116,6,0.346,0.59,1.0,0.1706959769721061,0.12021965595229936,0.05744123089575766,0.042800356384072376,0.09778930505105887
EOS-3-48815,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(CCCc5ccc(F)nc5)n4)n23)cc1,MSXFOMNYGQILNW-UHFFFAOYSA-N,3,1,0.298,98,882,482.487,2.407,6,0.315,0.69,1.0,0.1680059625796724,0.1770869028853403,0.023413405523953122,0.04542183537797272,0.10348202659173464
EOS-3-48816,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)cc1Cl,VKMHQLNDDCVVCC-UHFFFAOYSA-N,3,1,0.59,13,236,441.85,5.639,5,0.361,0.74,1.0,0.9086423137550544,0.9061664724830375,0.9530275512302104,0.9645329312589953,0.9330923171818244
EOS-3-48817,Cc1ncnc(-c2ccccn2)c1-c1nnc2cncc(-c3ccc(-c4cn(C)nc4CO)cn3)n12,DVLJMIHZPDEBGP-UHFFFAOYSA-N,3,1,0.271,70,968,476.504,2.907,6,0.399,0.53,1.0,0.04836029059008978,0.07522616681516003,0.12137619080254952,0.11163559728599821,0.08914956137344938
EOS-3-48818,Cc1cccc(-c2n[nH]cc2COc2cncc3nnc(-c4ccc(C)nc4F)n23)n1,NYWZPBDEULKOGF-UHFFFAOYSA-N,3,1,0.432,4,677,416.42,3.306,5,0.438,0.56,0.697,0.5700603111507093,0.6317850044548009,0.3107052292509081,0.24593071071208278,0.43962031389212525
EOS-3-48819,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)c(F)c1,AACXCKBBIGPHSA-UHFFFAOYSA-N,3,1,0.701,88,781,484.322,4.654,5,0.349,0.79,1.0,0.9582962099924611,0.9523250633952437,0.8265540401617435,0.8665101775066822,0.9009213727640326
EOS-3-48820,Cc1csc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccccc5F)n34)c2)n1,FLLZZQMCPMVEGI-UHFFFAOYSA-N,3,1,0.518,57,709,451.914,5.595,5,0.348,0.83,1.0,0.819863271879926,0.892048180385169,0.8284815982454938,0.8464293057364128,0.8467055890617503
EOS-3-48821,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)ccnc1Cl,APYCTGLAHBUPPB-UHFFFAOYSA-N,3,1,0.535,35,76,452.902,4.724,5,0.347,0.62,1.0,0.834975327256528,0.8892039613460352,0.7355218970598314,0.7514049756699335,0.802776540333082
EOS-3-48822,Cc1cnc(-c2cc(Oc3cncc4nnc(-c5ccc(-c6cnnn6C)cn5)n34)n(C)n2)nn1,ZOKDNIKQIADIRZ-UHFFFAOYSA-N,3,1,0.32,99,502,467.457,1.668,6,0.364,0.5,0.915,0.14336748680693578,0.11392296621204852,0.01868446302515249,0.009552121170584607,0.07138175930368035
EOS-3-48823,Clc1cnc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)n1,VMWBCIYXYARUOK-UHFFFAOYSA-N,3,1,0.429,87,307,465.304,3.967,5,0.371,0.52,0.974,0.7260126105133301,0.7144900966349119,0.340029812898362,0.4707525186758961,0.562821259680625
EOS-3-48824,c1cnc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)cc5)n34)n2)cn1,MUENEGTZWHJARB-UHFFFAOYSA-N,3,1,0.288,8,927,407.401,2.219,6,0.471,0.7,0.868,0.010802892193818107,0.01372421355630183,0.11240662051949832,0.1340209718319512,0.06773867452539237
EOS-3-48825,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)no2)o1,JOMLXRMQDOWLCO-UHFFFAOYSA-N,3,1,0.459,46,128,409.793,3.37,5,0.43,0.71,1.0,0.4533702282228771,0.5005996847371668,0.24516825440339934,0.25191899115893357,0.36276428963059415
EOS-3-48826,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cnnc(-c4c(F)cccc4F)c3)n12,XKGQYXFEPKICFM-UHFFFAOYSA-N,3,1,0.444,34,877,469.814,4.293,5,0.354,0.58,1.0,0.7618223562470016,0.8646425878966486,0.9272068398327736,0.9412051949832089,0.8737192447399081
EOS-3-48827,Fc1csc(-c2ncncc2-c2nnc3cncc(-c4cnn(-c5ncccn5)n4)n23)n1,BEHVAEWOQGDSPO-UHFFFAOYSA-N,3,1,0.261,86,892,444.419,1.882,6,0.396,0.41,0.981,0.012422040984168324,0.127450140497567,0.015489000068535399,0.023250633952436435,0.04465295387567679
EOS-3-48828,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)c2)n1C,JIJWLPODGBJCPQ-UHFFFAOYSA-N,3,1,0.479,89,656,486.511,3.174,5,0.359,0.68,1.0,0.3878503872250017,0.11112158179699815,0.28186896031800424,0.14568055650743608,0.23163037146186002
EOS-3-48829,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5cccnc5-c5cc(F)ccn5)n34)nn2)n1,UPKXZCVUPMRWBA-UHFFFAOYSA-N,3,1,0.337,6,935,480.467,3.679,6,0.364,0.63,0.978,0.43021383044342404,0.4382153382221918,0.17924576793914057,0.1770869028853403,0.3061904598725242
EOS-3-48830,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)cn5)cs4)n23)nc1,AUZZWTGWGHUDDN-UHFFFAOYSA-N,3,1,0.424,46,128,456.318,4.591,5,0.382,0.54,1.0,0.5957011171269961,0.7053149201562607,0.5674559660064423,0.6545815913919539,0.6307633986704133
EOS-3-48831,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ncn2)n1,RARLGQQGIONLRP-UHFFFAOYSA-N,3,1,0.419,58,481,453.89,4.119,5,0.357,0.55,0.966,0.6922760605852923,0.6224042217805497,0.492443972311699,0.5582036872044411,0.5913319854704955
EOS-3-48832,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)ccc2F)n1,JABGWALKBNBVKT-UHFFFAOYSA-N,3,1,0.489,37,589,480.866,3.9,5,0.36,0.6,1.0,0.9071773696114043,0.9321156877527242,0.6291806593105339,0.6660098690973888,0.7836208964430129
EOS-3-48833,Cc1nc(-c2ccc(F)nc2)c(-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)s1,NKOYYSHNZRRHCK-UHFFFAOYSA-N,3,1,0.362,96,121,438.438,5.362,5,0.353,0.7,0.999,0.22640668905489686,0.460026728805428,0.8734579535329998,0.868086491672949,0.6069944657665685
EOS-3-48834,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nn5)c4)n23)nnc1Cl,XGBOFINPHBILFI-UHFFFAOYSA-N,3,1,0.462,58,602,484.282,3.501,5,0.357,0.64,0.999,0.817130422863409,0.8495390994448633,0.40009252278802,0.5183503529573025,0.6462780995133987
EOS-3-48835,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nc(C)nn1C,NYXBYXPPKHTEBT-UHFFFAOYSA-N,3,1,0.433,31,456,477.916,2.969,5,0.326,0.62,0.999,0.45109999314646015,0.3443389760811459,0.07156808991844288,0.05914604893427455,0.23153827702008087
EOS-3-48836,Fc1cnc(Cl)c(-c2cc(-c3nnc4cncc(OCc5cncnc5Cl)n34)cnn2)c1,CUAJFULJAOWSRW-UHFFFAOYSA-N,3,1,0.406,55,875,470.255,3.458,5,0.281,0.64,1.0,0.7703807141388527,0.7329089849907477,0.6320934137482009,0.7170516071550956,0.7131086800082242
EOS-3-48837,Cc1cc(-c2nnc3cncc(OCCc4cc(Cl)ncn4)n23)cc(-c2ccnc(F)c2)n1,HBSMRQVFRRPWGC-UHFFFAOYSA-N,3,1,0.464,58,278,462.876,3.761,5,0.277,0.65,1.0,0.7731649647042698,0.7637327804811185,0.5272171201425536,0.5183589198821191,0.6456184463025152
EOS-3-48838,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnco5)cc4F)n23)c(F)c1,CWRBEYHXPMOKTI-UHFFFAOYSA-N,3,1,0.494,13,145,409.327,4.656,5,0.43,0.8,1.0,0.8942670139126859,0.8703909944486328,0.9567798642999109,0.9540555822082105,0.91887336371736
EOS-3-48839,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnn5)cn4)n23)c(F)n1,DIWHSSYNCZBURG-UHFFFAOYSA-N,3,1,0.435,7,535,416.38,1.855,5,0.391,0.55,1.0,0.6069580563360976,0.5943561099307793,0.15669762182167088,0.13605133301350147,0.37351578027551224
EOS-3-48840,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)c(CF)n4)n23)n1,XWQOCCLKZHFFTH-UHFFFAOYSA-N,3,1,0.412,31,779,469.933,4.393,5,0.351,0.6,1.0,0.4117521074635049,0.4688592282914125,0.2489034336234665,0.3278219450346104,0.36433417860324857
EOS-3-48841,Cc1ncncc1-c1ccc(F)c(-c2cncc3nnc(-c4cncnc4-c4cccs4)n23)c1,XYHIARXWKIUZBE-UHFFFAOYSA-N,3,1,0.288,94,615,466.505,4.881,6,0.365,0.62,0.671,0.2291652388458639,0.36846343636488244,0.5741381673634433,0.5896357343567953,0.4403506442327462
EOS-3-48842,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6nnn(C)c6C)n5)n34)c2)o1,YCJNYDYEJFOFSL-UHFFFAOYSA-N,3,1,0.39,6,597,480.492,3.228,6,0.349,0.62,1.0,0.08369885545884449,0.08881330957439518,0.05930025358097457,0.03570694263587143,0.06687984031252142
EOS-3-48843,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncc(F)cn4)cc3)n12,ZWTQRHUHUUDOCL-UHFFFAOYSA-N,3,1,0.329,8,635,484.886,3.898,6,0.346,0.71,1.0,0.1905798094715921,0.3779298882873004,0.29979953395929,0.42043896922760604,0.3221870502364471
EOS-3-48844,COc1cc(-c2nnc(C)s2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,JYCHCDVICSZJOB-UHFFFAOYSA-N,3,1,0.533,37,265,481.488,3.922,5,0.345,0.66,1.0,0.652773970255637,0.5648087862380919,0.48574463710506477,0.395089438695086,0.52460420807347
EOS-3-48846,Cn1ccnc1-c1cnc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1Cl,CNLYBFKSONIJCB-UHFFFAOYSA-N,3,1,0.568,59,294,470.295,4.612,5,0.373,0.55,1.0,0.7471386471112329,0.6854396545815914,0.8284901651703105,0.864968131039682,0.7815091494757042
EOS-3-48847,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5sccc5Cl)n4)n23)cc1,ZTFGLMVBINHBAZ-UHFFFAOYSA-N,3,1,0.333,38,865,470.949,5.031,6,0.359,0.66,1.0,0.13785895414981839,0.29512199300938935,0.4139281063669385,0.4918185868000822,0.3346819100815571
EOS-3-48848,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)c(Cl)c1,HOZVYKMBULMOIV-UHFFFAOYSA-N,3,1,0.641,84,884,451.914,5.329,5,0.349,0.69,1.0,0.7440031526283325,0.8358148858885615,0.8860856007127681,0.9062093071071208,0.8430282365841957
EOS-3-48849,Cn1nc(-c2nnc3cncc(OCCc4cc(Cl)cnc4Cl)n23)cc1-c1cccnn1,VCXDWNOZSJFVPL-UHFFFAOYSA-N,3,1,0.408,95,569,468.308,3.305,5,0.349,0.56,0.934,0.4533787951476938,0.39662291823726953,0.26293605647316837,0.37948906860393394,0.3731067096155164
EOS-3-48850,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)ncn2)sn1,BGGLFBJQDUWRHT-UHFFFAOYSA-N,3,1,0.402,31,194,419.474,2.368,5,0.413,0.54,0.999,0.29387122198615584,0.12745870742238366,0.0465184017545062,0.031500582550887536,0.12483722842848333
EOS-3-48851,Cc1cc(-c2nnc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)n2C)ncc1Cl,NAPOYJPQPGLLOC-UHFFFAOYSA-N,3,1,0.27,8,880,481.911,3.463,6,0.372,0.59,0.901,0.11334898224933178,0.18971455006510862,0.055685011308340755,0.14568912343225277,0.12610941676375848
EOS-3-48852,Clc1ccccc1CCOc1cncc2nnc(-c3cccc(-c4ccnn4C4CC4)c3)n12,APZKQZNLJUKOME-UHFFFAOYSA-N,3,1,0.64,91,660,456.937,5.265,6,0.334,0.73,1.0,0.49455143581659927,0.6463659104927695,0.40734870810773766,0.6109502433006648,0.5398040744294428
EOS-3-48853,Fc1ccc(Oc2cncc3nnc(-c4cc(Cl)nc(-c5ccccn5)c4)n23)c(Cl)c1,OLJIZNARHPLGOL-UHFFFAOYSA-N,3,1,0.455,13,145,453.264,5.487,5,0.335,0.72,1.0,0.7440117195531492,0.82517476526626,0.9000839558632033,0.9333578918511412,0.8506570831334384
EOS-3-48854,Cc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)n1,LABJXFMHLWAKKB-UHFFFAOYSA-N,3,1,0.54,11,848,408.465,4.178,5,0.419,0.81,1.0,0.7260211774381468,0.5462099924611061,0.4287060516756905,0.3891354259475019,0.5225181618806113
EOS-3-48855,Cc1cc(COc2cncc3nnc(-c4cnnc(-c5cncc(F)c5)c4)n23)n(C)n1,JSZSXFKWAOJUAK-UHFFFAOYSA-N,3,1,0.43,92,662,417.408,2.403,5,0.429,0.5,0.991,0.39018059077513534,0.38270166541018436,0.24180145295044891,0.21123466520457818,0.3064795935850867
EOS-3-48856,Cc1cnc(CCOc2cncc3nnc(-c4cnnc(-c5ccnc(F)c5)c4)n23)cn1,YKUYJRHPDIYIRV-UHFFFAOYSA-N,3,1,0.433,20,778,429.419,2.502,5,0.375,0.45,0.996,0.5781560551024604,0.5553166335412241,0.23813480912891508,0.21969021999862928,0.3978244294428072
EOS-3-48857,CCn1c(-c2cnccn2)nnc1-c1cncc2nnc(-c3cc(-c4ccnc(F)c4)ccc3F)n12,CVQZJXATSIKEDP-UHFFFAOYSA-N,3,1,0.321,8,754,482.458,3.867,6,0.341,0.67,0.895,0.16266020149407168,0.30504249194709065,0.2853385648687547,0.4171578370228223,0.2925497738331848
EOS-3-48858,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5c(F)cnc(Cl)c5F)n34)c2)cc1=O,AFRNJCFOGLAXJT-UHFFFAOYSA-N,3,1,0.442,16,55,481.85,3.458,5,0.354,0.63,0.997,0.5809060379686107,0.5277654033308203,0.7711774381468028,0.7617966554725516,0.6604113837296963
EOS-3-48859,Cc1nc(CCOc2cncc3nnc(-c4cnc(Cl)c(-c5cccc(F)c5)c4)n23)ns1,KCYBJGVRUIHSJC-UHFFFAOYSA-N,3,1,0.495,87,795,467.917,4.427,5,0.341,0.67,1.0,0.6380131587965184,0.7682646837091358,0.3145175107943253,0.46446439586046195,0.5463149372901104
EOS-3-48860,Fc1ccc(-c2nncc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)c(F)c5)n34)n2)nc1,IUNVGMOEJJNMLR-UHFFFAOYSA-N,3,1,0.264,39,972,484.405,3.58,6,0.37,0.62,0.648,0.33935302583784527,0.37309814269069974,0.520346446439586,0.6373963402097184,0.4675484887944624
EOS-3-48861,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)s2)cc1,VZPMGCXLHSQDRE-UHFFFAOYSA-N,3,1,0.325,32,20,450.502,5.783,6,0.34,0.81,1.0,0.1932355561647591,0.3731067096155164,0.7951476937838393,0.8327222260297443,0.5485530463984648
EOS-3-48862,Cc1cccc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c(F)c2)n1,FGDKKCBZVONVRQ-UHFFFAOYSA-N,3,1,0.449,57,145,449.848,5.886,5,0.342,0.83,1.0,0.8349838941813447,0.9102614625454047,0.9556747309985607,0.9573624151874444,0.9145706257281886
EOS-3-48863,Cc1nnsc1-c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)c(F)c1,WXDPVXOKNAEFFD-UHFFFAOYSA-N,3,1,0.298,30,774,466.505,4.881,6,0.365,0.61,0.573,0.09809128915084642,0.21805393735864573,0.4362363785895415,0.5318603933931876,0.32106049962305533
EOS-3-48864,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4c(F)cnn4CC(F)F)cn3)n12,YYSTXQRKUPEJFB-UHFFFAOYSA-N,3,1,0.306,22,315,469.858,5.083,5,0.359,0.68,1.0,0.2938797889109725,0.5006082516619834,0.8607532040298814,0.8855715852237681,0.6352032074566514
EOS-3-48865,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)ccn4)n23)nnc1Cl,RTJBFAUABBNZTG-UHFFFAOYSA-N,3,1,0.402,18,692,483.294,4.106,5,0.356,0.64,1.0,0.646845658282503,0.6412685902268521,0.5475121650332396,0.6689483243095059,0.6261436844630252
EOS-3-48866,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCc3cc(Cl)nn3C)n12,VQVAXUVWOXBIOD-UHFFFAOYSA-N,3,1,0.417,7,456,463.889,2.926,5,0.374,0.52,1.0,0.34656637653347955,0.3872849701871016,0.1239377013227332,0.07641696936467686,0.2335515043519978
EOS-3-48867,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1Cl,DOKWEATUZHGTCG-UHFFFAOYSA-N,3,1,0.435,83,533,436.277,5.966,5,0.35,0.84,1.0,0.4601380988280447,0.8017527928174902,0.967300047974779,0.9863871564663148,0.8038945240216572
EOS-3-48868,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)[nH]c(=O)n2)s1,ASLUHLGHBVZUEB-UHFFFAOYSA-N,3,1,0.388,20,279,467.902,2.371,5,0.399,0.48,0.342,0.2771228839695703,0.27943595367007057,0.05930882050579124,0.07442944280720992,0.1725742752381605
EOS-3-48869,N#Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cnc2Cl)cn1,LRUMSPMFKBWFOG-UHFFFAOYSA-N,3,1,0.541,13,995,479.262,4.753,5,0.339,0.72,1.0,0.892279487355219,0.9141936810362552,0.9076571174011376,0.9246367623877733,0.9096917620450963
EOS-3-48870,CCc1nn(C)cc1-c1cncc2nnc(-c3ccc(Cl)c(-c4ccccc4)c3)n12,VPZIUGXJJJVTIZ-UHFFFAOYSA-N,3,1,0.347,96,46,414.9,5.075,5,0.411,0.78,0.998,0.18480570214515799,0.33926735658967855,0.6057672537865808,0.7060688095401275,0.4589772805153862
EOS-3-48871,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)nc2)nc1,LXTGYABBKIOZCB-UHFFFAOYSA-N,3,1,0.372,45,575,405.343,3.728,5,0.455,0.85,1.0,0.4392690699746419,0.6412771571516689,0.845058597765746,0.8699112466588993,0.698879017887739
EOS-3-48872,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)c(F)c1,LCZBWJUXBPIDNW-UHFFFAOYSA-N,3,1,0.294,64,27,483.417,4.185,6,0.368,0.65,1.0,0.33706565691179496,0.42469673086148996,0.7826656843259544,0.8407237338085121,0.5962879514769379
EOS-3-48873,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)cn5)c4)n23)nc1,HTMNIPRBOHTLLY-UHFFFAOYSA-N,3,1,0.388,33,348,486.923,3.625,5,0.37,0.67,1.0,0.570068878075526,0.4062435748063875,0.31071379617572475,0.2519275580837503,0.38473845178534716
EOS-3-48874,Cc1nccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c1Cl,APVLCRABSIWISJ-UHFFFAOYSA-N,3,1,0.473,97,666,463.328,5.443,5,0.345,0.7,1.0,0.7731735316290864,0.7280943732437805,0.85019018573093,0.8713761908025495,0.8057085703515865
EOS-3-48875,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cn5)n34)cn2)c1,HQBBJTYZCCZGCD-UHFFFAOYSA-N,3,1,0.307,10,673,455.934,5.421,6,0.355,0.69,0.999,0.0035552737989171406,0.12390343362346652,0.7094613117675279,0.7972551572887396,0.4085437941196628
EOS-3-48876,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ns4)n23)cc1Cl,CYJNALRNXQSTTK-UHFFFAOYSA-N,3,1,0.506,16,610,473.349,4.412,5,0.36,0.65,1.0,0.4279949969159071,0.5369063121102049,0.22023850318689603,0.35032725652799673,0.3838667671852512
EOS-3-48877,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)cc2Cl)o1,GICLOEUOGZRQRK-UHFFFAOYSA-N,3,1,0.565,35,161,467.316,5.078,5,0.344,0.67,1.0,0.8491621547529299,0.8428054965389624,0.7803611815502707,0.7950620245356727,0.816847714344459
EOS-3-48878,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4cnnc(-c5ncccn5)c4)n23)s1,SJURJNKXNSODTO-UHFFFAOYSA-N,3,1,0.262,70,935,450.491,3.532,6,0.397,0.45,0.999,0.036580768967171544,0.06793571379617573,0.04323726954972243,0.05915461585909122,0.051727092043040226
EOS-3-48879,Cc1nc(-c2cc(COc3cncc4nnc(-c5cnc(C#N)nc5)n34)ncn2)no1,UYTNVVMXEHFEDW-UHFFFAOYSA-N,3,1,0.406,7,113,413.361,1.18,5,0.404,0.63,1.0,0.3832499485984511,0.3587828113220478,0.03216880268658762,0.02080049345486944,0.198750514015489
EOS-3-48880,N#Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4Cl)n23)c1,MBVRSGDSZOHJBL-UHFFFAOYSA-N,3,1,0.5,59,16,475.846,4.631,5,0.341,0.67,1.0,0.9370416695223083,0.937975464327325,0.9132256185319718,0.9246453293125899,0.9282220204235488
EOS-3-48881,COc1cc(-c2csc(C)n2)ccc1-c1nnc2cncc(-c3ccc(-c4cn(C)nn4)cn3)n12,ALNKBTXTYWXQAC-UHFFFAOYSA-N,3,1,0.315,38,193,481.545,4.089,6,0.362,0.68,1.0,0.04991947090672332,0.05639606606812419,0.25949215269686793,0.17184394489753957,0.13441290864231376
EOS-3-48882,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccc5)n4)n23)nc1,UKTFTAIUVJCMSJ-UHFFFAOYSA-N,3,1,0.346,30,737,461.916,5.631,6,0.338,0.76,1.0,0.21253683777671167,0.3634003837982318,0.6858165992735248,0.7834281406346378,0.5112954903707765
EOS-3-48883,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1ccccn1,NDGLHLFNEZYOQC-UHFFFAOYSA-N,3,1,0.529,57,13,451.383,4.989,5,0.278,0.77,1.0,0.9785569871838805,0.9534730313206772,0.9819837571105476,0.9796621204852306,0.9734189740250839
EOS-3-48884,Cc1cnc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)s1,KXRZWVIMBBCNSJ-UHFFFAOYSA-N,3,1,0.488,13,145,421.432,5.294,5,0.394,0.75,1.0,0.7530155575354671,0.7002775683640601,0.8304091563292441,0.8168477143444589,0.7751374991433075
EOS-3-48885,Cn1cnc(-c2ccc(F)cc2)c1-c1nnc2cncc(OCc3cnnc(-c4cccnn4)n3)n12,IRZSICUGIWNYKB-UHFFFAOYSA-N,3,1,0.376,71,826,481.455,2.552,6,0.349,0.61,0.594,0.3832585155232678,0.3731152765403331,0.10461071893633062,0.14795935850866973,0.2522359673771503
EOS-3-48886,CCc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nc(C)no1,JANRPXIKMZNLRG-UHFFFAOYSA-N,3,1,0.433,31,578,446.446,3.263,5,0.347,0.54,1.0,0.47986772668083066,0.43822390514700843,0.10707799328353095,0.09073230073332876,0.2789754814611747
EOS-3-48887,Fc1cc(COc2cncc3nnc(-c4cncc(-c5ccnc(Cl)c5)c4)n23)ccc1Cl,VYNAWZSGLMGTAI-UHFFFAOYSA-N,3,1,0.62,59,884,467.291,5.273,5,0.328,0.74,1.0,0.8669470906723322,0.8920567473099856,0.9556832979233775,0.9660235761770954,0.9201776780206976
EOS-3-48888,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c1F,RZNHZBJHEISMGQ-UHFFFAOYSA-N,3,1,0.548,11,201,470.892,4.863,5,0.33,0.68,1.0,0.9464824206702762,0.9408625179905421,0.7826742512507711,0.8037660201494071,0.8684463025152491
EOS-3-48889,Fc1cc(-n2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cnc1Cl,HOTBSNWEYMYBAA-UHFFFAOYSA-N,3,1,0.459,27,69,472.818,4.076,5,0.344,0.63,0.945,0.4748218079638133,0.6463744774175861,0.8905147008429855,0.8565982454937976,0.7170773079295456
EOS-3-48890,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cccc(-c6cocn6)n5)n34)c2)nc1,FGQKAADZRDAOTG-UHFFFAOYSA-N,3,1,0.522,28,120,465.448,4.621,6,0.351,0.58,1.0,0.5700774450003426,0.5051658556644507,0.6291892262353506,0.5957182509766294,0.5750376944691934
EOS-3-48891,CCc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cnc(C)cn1,LRMLTMLLSWBMDX-UHFFFAOYSA-N,3,1,0.434,31,690,472.94,4.184,5,0.347,0.58,0.128,0.5752433006647933,0.6366595846754849,0.202599204989377,0.20811630457131108,0.40565459872524157
EOS-3-48892,COCCNC(=O)c1ccc(-c2nnc3cncc(Cc4nnc5c(F)cc(Cl)cn45)n23)nc1,WAUUJQQOUDGQEX-UHFFFAOYSA-N,3,1,0.333,33,505,481.879,1.988,5,0.35,0.57,1.0,0.16540161743540538,0.15297957645123705,0.07384689191967651,0.1092454252621479,0.1253683777671167
EOS-3-48893,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nc2F)s1,WLYKKZNQEJNESR-UHFFFAOYSA-N,3,1,0.418,53,237,459.919,4.446,5,0.358,0.6,1.0,0.5700860119251594,0.6366681516003015,0.23814337605373176,0.31551127407305873,0.44010220341306283
EOS-3-48894,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)nn1,AMEZSTKBHDMSOG-UHFFFAOYSA-N,3,1,0.5,53,778,411.429,2.363,5,0.415,0.62,1.0,0.5809146048934275,0.36340895072304846,0.13249605921458432,0.11861764101158248,0.2988593139606607
EOS-3-48895,OC(O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)cn1,PQKXMNYZMUBCJM-UHFFFAOYSA-N,3,1,0.466,51,855,429.4,0.995,5,0.371,0.53,0.999,0.5123021040367349,0.4382324720718251,0.3588941813446645,0.23744945514358165,0.38671955314920153
EOS-3-48896,Cn1nc(-c2ccc(F)cn2)cc1-c1nnc2cncc(OCc3c(F)ccc(F)c3F)n12,RBHIYVSIAWSQGL-UHFFFAOYSA-N,3,1,0.418,59,607,455.375,3.722,5,0.297,0.62,1.0,0.5123106709615517,0.46003529573024465,0.8636316907682818,0.8680950585977657,0.6760181790144609
EOS-3-48897,Cc1nc(-c2ccc(-c3nnc4cncc(Cn5ccnc5-c5ccc(F)c(F)c5)n34)cn2)cn1C,HBZYPVJAKADANM-UHFFFAOYSA-N,3,1,0.333,85,81,483.486,4.085,6,0.367,0.66,1.0,0.3555445137413474,0.4469878692344596,0.5064851620862175,0.49182715372489894,0.4502111746967309
EOS-3-48898,Cc1cccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6ccon6)n5)n34)ncn2)c1,JHHGERDEMQWAGE-UHFFFAOYSA-N,3,1,0.402,28,984,462.473,4.186,6,0.359,0.58,0.761,0.2938883558357892,0.16841717497087247,0.347765746007813,0.3062846960455075,0.27908899321499553
EOS-3-48899,Fc1ccc(-c2nncnc2-c2cncc3nnc(-c4nccnc4-c4cccc(Cl)c4)n23)cn1,IUOFKRCWERZDLQ-UHFFFAOYSA-N,3,1,0.311,39,972,482.87,3.955,6,0.344,0.66,0.781,0.23172674936604756,0.31016551298745804,0.38542594750188475,0.5612620793639915,0.3721450723048455
EOS-3-48900,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)nn1C,OZWFUTDDMDCQTN-UHFFFAOYSA-N,3,1,0.429,31,569,415.461,2.425,5,0.402,0.58,1.0,0.13521177438146803,0.00680213830443424,0.06953772873689261,0.050741895689123434,0.06557338427797957
EOS-3-48901,CCc1cc(COc2cncc3nnc(-c4cnnc(-c5cnc(C)nc5)c4)n23)n(C)n1,QMNHAGMREBIAQK-UHFFFAOYSA-N,3,1,0.371,92,986,428.46,2.222,5,0.4,0.44,0.995,0.2234682338427798,0.17267493660475636,0.04998800630525666,0.0232592008772531,0.11734759440751148
EOS-3-48902,Clc1ccc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)n2)cn1,TXZCDURVHSNAAT-UHFFFAOYSA-N,3,1,0.316,38,57,468.933,5.087,6,0.332,0.68,1.0,0.17607600575697346,0.3634175176478651,0.5304982523473374,0.5986567061887464,0.4171621204852306
EOS-3-48903,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5C)ccn4)n23)cc1,JWWRKRUHBSBMEU-UHFFFAOYSA-N,3,1,0.575,1,744,408.465,4.444,5,0.428,0.81,1.0,0.4511085600712768,0.39663148516208624,0.6261736686998834,0.5115996162017682,0.49637833253375363
EOS-3-48904,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)ccc2F)cn1,XXCHRXGJLASEOB-UHFFFAOYSA-N,3,1,0.479,37,490,483.841,4.336,5,0.355,0.69,1.0,0.9589729970529779,0.9582105407442945,0.8665958467548489,0.8881673634432184,0.9179866869988349
EOS-3-48905,CCOc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,SVJNLFUFKFBQQS-UHFFFAOYSA-N,3,1,0.293,63,108,402.418,1.934,5,0.519,0.94,1.0,0.1988211911452265,0.10126961825783017,0.015497566993352066,0.015805976286752108,0.08284858817079022
EOS-3-48906,Cc1cnc(C(F)F)cc1-c1nnc2cncc(-c3ccnc(-c4cnnc(C(F)F)n4)c3)n12,UEZNULOOXVVDIZ-UHFFFAOYSA-N,3,1,0.266,50,243,467.39,4.284,5,0.353,0.54,1.0,0.3043143033376739,0.34913645397847987,0.7549345486944007,0.6517802069769035,0.5150413782468645
EOS-3-48907,Cc1ccc(-c2nc(C)ncc2-c2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)c(F)n1,ORLVHQTYZYYDRE-UHFFFAOYSA-N,3,1,0.33,86,812,478.495,3.862,6,0.351,0.62,0.866,0.240096634911932,0.21304228634089506,0.25581694195051746,0.21429305736412857,0.2308122301418683
EOS-3-48908,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5cncs5)n4)n23)nc1,TUCGYYMRERQQCI-UHFFFAOYSA-N,3,1,0.402,6,843,474.535,3.141,6,0.358,0.57,1.0,0.2693526831608526,0.20335309437324378,0.03479028168048797,0.029615859091220616,0.13427797957645124
EOS-3-48909,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)c(F)c1,NTSOGTLEBMIJJY-UHFFFAOYSA-N,3,1,0.318,98,314,484.886,3.898,6,0.37,0.66,0.841,0.27448427112603657,0.37312384346514976,0.4786597902816805,0.5418151600301556,0.41702076622575557
EOS-3-48910,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)o4)n23)cn1,DXFXFBCDGHUUQC-UHFFFAOYSA-N,3,1,0.359,63,66,403.402,1.652,5,0.55,0.86,1.0,0.040949900623672125,0.029153245151120555,0.001473511068466863,0.0008138578575834418,0.018097628675210746
EOS-3-48911,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)nc3)n12,OLTLSGJXWGGRFX-UHFFFAOYSA-N,3,1,0.547,27,456,482.426,3.588,5,0.362,0.63,0.911,0.6864334178603249,0.527773970255637,0.8157854156671921,0.5480947159207731,0.6445218799259818
EOS-3-48912,COc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1cc[nH]n1,LREVLIZNFHTLKP-UHFFFAOYSA-N,3,1,0.412,49,501,466.864,3.394,5,0.363,0.53,0.978,0.6743540538688233,0.6562007401823041,0.4579106983757111,0.41405661023918855,0.5506305256665067
EOS-3-48913,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccnc6)n5)n34)cc2)cc1Cl,OWOMGPRFEHUKRG-UHFFFAOYSA-N,3,1,0.338,3,186,480.894,5.165,6,0.343,0.77,1.0,0.3580203550133644,0.5694177917894593,0.8138664245082585,0.8713847577273662,0.6531723322596121
EOS-3-48915,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cnc2Cl)cn1,QNHLCTWQJSXWNY-UHFFFAOYSA-N,3,1,0.454,87,779,484.282,3.501,5,0.334,0.69,0.996,0.7440202864779659,0.8787351792200672,0.440014392433692,0.545079158385306,0.6519622541292578
EOS-3-48916,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)nc(C(F)(F)F)n4)n23)nc1,SRVKTKKQYKGZOI-UHFFFAOYSA-N,3,1,0.394,27,185,471.378,3.114,5,0.284,0.63,1.0,0.6209050099376328,0.6707559454458227,0.661700705914605,0.4583219107669111,0.6029208930162429
EOS-3-48917,Cn1nc(-c2ncc(F)nn2)cc1-c1cncc2nnc(-c3ccc(Cl)cc3)n12,OAPBLANDJXPIQQ-UHFFFAOYSA-N,3,1,0.464,22,844,407.8,2.836,5,0.453,0.73,0.999,0.19324412308957575,0.4512027962442602,0.2629446233979851,0.42350592831197315,0.33272436776094855
EOS-3-48918,Cc1c(Cl)cccc1-c1cnc(-c2nnc3cncc(-c4cnc(Br)nn4)n23)cn1,HSNHOPJTQFSNFI-UHFFFAOYSA-N,3,1,0.296,50,845,480.717,3.825,5,0.383,0.57,0.908,0.23464807072853128,0.30505105887190737,0.3145260777191419,0.44242169830717565,0.32416172640668905
EOS-3-48919,Cc1nc(C)c(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ccc2F)cc1F,PWECALMYNPHCBY-UHFFFAOYSA-N,3,1,0.63,4,92,449.486,5.389,5,0.36,0.69,1.0,0.767793502844219,0.8557072853128641,0.8387704749503119,0.7812350078815709,0.8108765677472414
EOS-3-48920,Clc1cc(-c2ccccn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,LFUWMNWCSMYIKQ-UHFFFAOYSA-N,3,1,0.341,32,20,461.916,5.631,6,0.338,0.77,1.0,0.23465663765334796,0.39194537728736895,0.7617024192995683,0.8101826468370914,0.5496217702693442
EOS-3-48921,N#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cc4Cl)n23)cc1F,MZKWSLGSPQZKOR-UHFFFAOYSA-N,3,1,0.512,97,71,462.897,5.158,5,0.358,0.69,1.0,0.7230313206771297,0.8646511548214653,0.9229233774244398,0.9298882873003906,0.8601235350558564
EOS-3-48922,Cc1nccc(-c2ncc(Cl)c(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)n1,NFCATEPYQCMLHQ-UHFFFAOYSA-N,3,1,0.433,7,69,481.854,3.912,5,0.355,0.67,0.993,0.8042286340895072,0.8526403262284971,0.4684737166746625,0.42988828730039064,0.6388077410732643
EOS-3-48923,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)nc1,BPZXKQOORAOOMR-UHFFFAOYSA-N,3,1,0.386,41,177,463.476,5.185,6,0.35,0.69,0.999,0.6713813309574396,0.6659841683229388,0.7504026454663834,0.719827290795696,0.7018988588856144
EOS-3-48924,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4csc(-c5ccncc5)n4)n23)cc1,CUCLCLQDFHQCDI-UHFFFAOYSA-N,3,1,0.494,28,797,463.526,4.951,6,0.345,0.74,0.989,0.28280275512302105,0.3295181961483106,0.34376499211842915,0.35350558563498047,0.3273978822561853
EOS-3-48925,Cn1c(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCc4cnnc(Cl)c4)n23)cc1=O,JCMRNDMETUDFNJ-UHFFFAOYSA-N,3,1,0.495,59,607,481.85,3.458,5,0.379,0.62,1.0,0.6864419847851415,0.7188849290658625,0.8229644986635597,0.8388133095743951,0.7667761805222397
EOS-3-48926,COc1cc(-c2cccnn2)ncc1-c1nnc2cncc(-c3ncc(C#N)cn3)n12,BKCJZQMNHAMFCU-UHFFFAOYSA-N,3,1,0.299,50,489,408.385,1.981,5,0.433,0.7,0.775,0.2534182030018505,0.11113014872181481,0.18896066068124187,0.17185251182235625,0.18134038105681585
EOS-3-48927,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(C)ns5)n34)ncn2)nc1,PKRBBEMGHJFZSV-UHFFFAOYSA-N,3,1,0.5,33,395,416.47,3.296,5,0.43,0.56,0.929,0.3322853128640943,0.14906449181001988,0.10461928586114728,0.07642553628949353,0.16559865670618876
EOS-3-48928,CC(C)(C)c1ncc(Cc2cncc3nnc(-c4ccc(Cl)c(CF)c4)n23)cn1,CAUWJBDVDTUNDK-UHFFFAOYSA-N,3,1,0.385,68,364,410.884,4.593,4,0.492,0.72,1.0,0.4162240422178055,0.4960506476595161,0.5237903502158865,0.40404187512850387,0.46002672880542794
EOS-3-48929,N#Cc1ccc(Cc2cncc3nnc(-c4cncc(-c5ccc(F)cn5)c4)n23)cn1,WKFNBFCBGPGCIC-UHFFFAOYSA-N,3,1,0.364,85,290,408.4,3.245,5,0.449,0.69,0.991,0.3532057432663971,0.382710232335001,0.7145843328078952,0.7090586663011446,0.5398897436776094
EOS-3-48930,Fc1cc(-c2nnc3cncc(OCc4cnc(-c5ccc(Cl)s5)cn4)n23)ccc1Cl,DSKHUQZSBWDZDY-UHFFFAOYSA-N,3,1,0.53,59,401,473.32,5.335,5,0.343,0.81,1.0,0.8942755808375026,0.9545524638475773,0.8434822835994791,0.8908231101363855,0.895783359605236
EOS-3-48931,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cccnc5Oc5cccc(F)c5)n34)nc2)nn1,KWKXXWVORVOHEU-UHFFFAOYSA-N,3,1,0.359,30,179,476.475,4.945,6,0.344,0.69,1.0,0.38785895414981836,0.49115036666438217,0.5706942635871428,0.5418237269549723,0.49788182783907886
EOS-3-48932,CCn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)ccn1,UOJRPVASFIENRU-UHFFFAOYSA-N,3,1,0.447,92,52,449.425,3.376,5,0.372,0.48,1.0,0.314731683914742,0.3205486258652594,0.3514752244534302,0.2550459187170173,0.3104503632376122
EOS-3-48933,CCOc1cc(C(F)(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NCC#N)c(F)c3)n12,TVNRDFNRXMKLBV-UHFFFAOYSA-N,3,1,0.34,0,999,484.413,4.268,4,0.324,0.76,1.0,0.6380217257213351,0.7466846000959496,0.9802275375231307,0.9360821739428414,0.8252540093208142
EOS-3-48934,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1cccnc1,RXJBZWOIOISTCN-UHFFFAOYSA-N,3,1,0.521,35,103,476.899,4.671,5,0.337,0.64,1.0,0.9360479062435748,0.9061750394078542,0.8483397299705298,0.8079038448358578,0.8746166301144541
EOS-3-48935,Cn1nccc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)c(F)c1,WJLJJVBKOKXKJZ-UHFFFAOYSA-N,3,1,0.494,13,145,455.28,5.43,5,0.362,0.7,1.0,0.57525186758961,0.785227194846138,0.9362620793639915,0.9515797409361936,0.8120802206839832
EOS-3-48936,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ncon5)c4)n23)cnc1Cl,DKQMMSCYWOIKOQ-UHFFFAOYSA-N,3,1,0.566,37,325,472.267,4.304,5,0.337,0.63,1.0,0.92533925022274,0.9163354122404221,0.7504112123912,0.8079124117606744,0.8499995716537592
EOS-3-48937,Cc1ncnc(-c2ncc(Cl)cn2)c1-c1nnc2cncc(-c3cccc(-c4nnnn4C)n3)n12,OYGCCZPNAHEODY-UHFFFAOYSA-N,3,1,0.257,99,601,483.887,2.253,6,0.363,0.62,0.993,0.09104071002672881,0.172683503529573,0.01251627715715167,0.023978822561853196,0.07505482831882666
EOS-3-48938,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccnc(Cl)c5)n34)cn2)nc1,OKAWRVUFFDJWHE-UHFFFAOYSA-N,3,1,0.333,50,575,409.24,3.741,5,0.422,0.74,1.0,0.010811459118634775,0.18550818998012472,0.6206394352683161,0.7539493523404839,0.39272710917688985
EOS-3-48939,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c(Cl)c1,OVUWUSMCRZOJGE-UHFFFAOYSA-N,3,1,0.522,37,908,481.347,4.393,5,0.34,0.69,1.0,0.67436262079364,0.6612209581248715,0.45791926530052773,0.5582122541292578,0.5879287745870743
EOS-3-48940,N#Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5nccnn5)c4)n23)cc1,PNEZGJAIPAGXBY-UHFFFAOYSA-N,3,1,0.53,71,571,408.385,1.884,5,0.423,0.68,1.0,0.82525186758961,0.7236481392639298,0.2890052086902885,0.2936227811664725,0.5328819991775752
EOS-3-48941,CCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)cc(CF)n1,XAVRNVOSEBETHV-UHFFFAOYSA-N,3,1,0.478,87,393,456.485,3.692,5,0.348,0.49,1.0,0.4798762936056473,0.43380337194160784,0.32914125145637724,0.2640411897745185,0.37671552669453773
EOS-3-48942,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cnc(-c4ncsn4)nc3)n12,BSXSJMRSYMKBRL-UHFFFAOYSA-N,3,1,0.471,7,863,457.401,3.151,5,0.354,0.51,1.0,0.6864505517099582,0.6903656363511754,0.39266499897196905,0.3503358234528134,0.529954252621479
EOS-3-48943,Fc1cc(-c2ncc(-c3nnc4cncc(COc5cccnc5F)n34)cc2F)c(F)cn1,FEWJZYJQGSZQGA-UHFFFAOYSA-N,3,1,0.352,73,767,453.359,3.779,5,0.296,0.61,0.999,0.6955400589404427,0.7509080940305668,0.8872078678637516,0.8713933246521829,0.8012623363717359
EOS-3-48944,COc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cnc(Cl)c(C)c1,KKDYVDVQMRBLMI-UHFFFAOYSA-N,3,1,0.483,35,657,473.924,4.235,5,0.324,0.66,1.0,0.6497755465698033,0.6366767185251182,0.5337965184017545,0.4298968542252073,0.5625364094304708
EOS-3-48945,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)cn2)nc1,RJVRYXZOQCDDRU-UHFFFAOYSA-N,3,1,0.356,42,150,455.934,5.421,6,0.355,0.67,1.0,0.03658933589198821,0.24883489822493318,0.7145928997327119,0.7857583441847714,0.44644386950860115
EOS-3-48946,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5cccnc5Cl)nn4)n23)c1,ZPIVPPKAQWYCMZ-UHFFFAOYSA-N,3,1,0.356,10,783,469.871,4.289,6,0.355,0.55,0.996,0.010820026043451442,0.1644678226303886,0.5338050853265712,0.6747824001096566,0.34596883352751695
EOS-3-48947,N#Cc1nc(Cc2cncc3nnc(-c4ccc(-c5cncnn5)nc4)n23)ccc1F,CWLSZFJEUMKKTL-UHFFFAOYSA-N,3,1,0.354,85,60,410.376,2.035,5,0.436,0.6,1.0,0.37410903981906657,0.4247052977863066,0.35148379137824687,0.3634175176478651,0.3784289116578713
EOS-3-48948,Cc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(OCCc3cc(F)c(Cl)nn3)n12,NAVDFOMZTDVKQC-UHFFFAOYSA-N,3,1,0.506,19,132,479.878,4.505,5,0.354,0.65,1.0,0.8399869782742787,0.8759766294291002,0.6236207251045165,0.6951374134740593,0.7586804365704887
EOS-3-48949,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ccc2F)nc1,ZJOBEPZDJNCVRT-UHFFFAOYSA-N,3,1,0.537,57,671,467.838,5.503,5,0.341,0.74,1.0,0.9753272565279967,0.9695531492015627,0.9784456171612638,0.9849479130971147,0.9770684839969844
EOS-3-48950,CCn1c(-c2cncc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,LQTTWAIAGTZEOE-UHFFFAOYSA-N,3,1,0.299,86,754,481.911,3.637,6,0.362,0.61,0.991,0.15438455212117058,0.2639726543759852,0.09007264752244534,0.17709546981015695,0.17138133095743951
EOS-3-48951,Fc1cnc(-c2cncc3nnc(-c4cnc(-c5ccccn5)cn4)n23)nc1C1CC1,NVAJUFNIKLYIRC-UHFFFAOYSA-N,3,1,0.333,50,845,411.404,3.117,6,0.444,0.61,0.947,0.26936125008566925,0.3101740799122747,0.03479884860530464,0.11400006853539853,0.1820835617846618
EOS-3-48952,CCn1cnnc1-c1nc(C)ncc1-c1cncc2nnc(-c3cccnc3-c3ccsc3)n12,MIQFEXLFWVULAT-UHFFFAOYSA-N,3,1,0.244,86,899,466.534,3.959,6,0.375,0.54,0.921,0.07526900143924337,0.04172092385717223,0.04173805770680557,0.056156192173257485,0.05372104379411966
EOS-3-48953,Fc1cc(-c2cscn2)cc(F)c1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,DUWGGPVNZDLNHK-UHFFFAOYSA-N,3,1,0.526,13,145,441.85,5.639,5,0.361,0.75,1.0,0.9187427181139058,0.9667089301624289,0.945145980398876,0.9547580700431773,0.946338924679597
EOS-3-48954,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)on2)o1,WELMSVQYCMQADN-UHFFFAOYSA-N,3,1,0.477,55,283,410.781,2.765,5,0.398,0.69,1.0,0.5280566787745871,0.6181293262970324,0.10462785278596395,0.13184497292851757,0.34566470769652524
EOS-3-48955,COc1nc(-c2nnc3cncc(OCCc4ncc(F)cc4Cl)n23)ccc1-c1nccn1C,MCECTUQUOVJRRG-UHFFFAOYSA-N,3,1,0.392,49,551,480.891,3.404,5,0.349,0.61,1.0,0.6126122267150983,0.48651566033856486,0.2558255088753341,0.24593927763689946,0.40022316839147415
EOS-3-48956,COc1nc(-c2ccccn2)ccc1-c1cncc2nnc(-c3ncccc3-c3ccccc3)n12,XGWDLQMQRJPIFH-UHFFFAOYSA-N,3,1,0.33,30,93,457.497,4.986,6,0.36,0.58,1.0,0.2744928380508533,0.11393153313686519,0.4139366732917552,0.4040504420533205,0.30160287163319854
EOS-3-48957,Clc1ccc(-c2cncnc2)cc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,GVIVXBCOQQREIC-UHFFFAOYSA-N,3,1,0.325,69,696,461.916,5.631,6,0.338,0.76,1.0,0.25091666095538345,0.41110102117743813,0.8636402576930985,0.8881759303680351,0.6034584675484888
EOS-3-48958,NC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)cn4)n23)s1,SVVXCDKTBSOGKY-UHFFFAOYSA-N,3,1,0.323,22,155,405.418,2.944,5,0.495,0.78,0.323,0.043896922760605854,0.04890000685353985,0.30355184702899046,0.34070659995887875,0.18426384415050373
EOS-3-48959,FC(F)(F)c1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)nn1,VTIJIQREKRQSST-UHFFFAOYSA-N,3,1,0.4,27,52,485.817,3.685,5,0.367,0.67,0.996,0.45788499760126106,0.5694263587142759,0.835540744294428,0.7304674114179974,0.6483298780069906
EOS-3-48960,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6)n5)n34)cc2)c1C,KLNSQQFDPFOEPT-UHFFFAOYSA-N,3,1,0.329,93,220,455.525,5.594,6,0.344,0.72,1.0,0.13522034130628469,0.13414090877938456,0.6146511548214653,0.6283068329792337,0.37807980947159203
EOS-3-48961,Clc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)c(Cl)c2)ncn1,XCVMHMAUJDFGOZ-UHFFFAOYSA-N,3,1,0.562,37,0,469.357,5.238,5,0.317,0.77,1.0,0.932715372489891,0.9321242546775409,0.7094698786923446,0.7834367075594545,0.8394365533548078
EOS-3-48962,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cnn2)ccn1,STZCIMGDEYJYOR-UHFFFAOYSA-N,3,1,0.489,58,578,448.849,3.452,5,0.364,0.46,1.0,0.7789733397299705,0.8135408813652252,0.6321019806730176,0.6571945034610376,0.7204526763073127
EOS-3-48963,Clc1nc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ccc(-c4c[nH]nn4)nc3)n12,USIJYFNVDXPMPH-UHFFFAOYSA-N,3,1,0.325,30,945,451.881,4.354,6,0.396,0.5,1.0,0.15439311904598726,0.31018264683709135,0.5028527859639503,0.6046107189363306,0.39300981769583987
EOS-3-48964,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5F)n34)nc2)cn1,SOWHQJLQNRDVSB-UHFFFAOYSA-N,3,1,0.295,52,26,486.486,3.907,6,0.391,0.66,0.999,0.14337605373175244,0.23852032074566515,0.37016825440339934,0.41716640394763893,0.29230775820711397
EOS-3-48965,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cs5)n34)c2)ccc1F,AMKRCGIYYIXOTD-UHFFFAOYSA-N,3,1,0.472,2,137,435.459,5.08,5,0.385,0.63,1.0,0.707653690631211,0.7509166609553835,0.9012147899390035,0.8855801521485848,0.8113413234185457
EOS-3-48966,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3cc(F)c(Cl)cn3)n12,KNGXVSFATYSGHU-UHFFFAOYSA-N,3,1,0.469,26,456,480.891,3.404,5,0.349,0.6,0.993,0.5957096840518128,0.5462185593859228,0.4073572750325543,0.347123226646563,0.4741021862792132
EOS-3-48967,c1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nnco6)c5)n34)cn2)co1,JZLBLYUNGIHAGL-UHFFFAOYSA-N,3,1,0.277,70,719,410.357,2.348,6,0.422,0.62,0.995,0.17070454389692277,0.11394010006168186,0.12657631416626688,0.13839867041326845,0.137404907134535
EOS-3-48968,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)c(Cl)c5)n34)cn2)cn1,RJDMLOPWESCHCF-UHFFFAOYSA-N,3,1,0.316,42,174,469.867,5.363,6,0.32,0.79,1.0,0.4008378452470701,0.5093893495990679,0.8772788020012336,0.892228085806319,0.6699335206634227
EOS-3-48969,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1,WEQCDJFKZFKGEB-UHFFFAOYSA-N,3,1,0.75,1,640,463.444,5.244,5,0.326,0.77,1.0,0.9240713453498732,0.7376379274895484,0.8849376327873346,0.7950705914604893,0.8354293742718114
EOS-3-48970,Fc1cccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c(F)cn2)n1,DNBSZTBFHFEJJD-UHFFFAOYSA-N,3,1,0.548,59,13,468.826,4.898,5,0.341,0.64,1.0,0.9734425330683298,0.9830032211637311,0.954483928449044,0.9591614693989445,0.9675227880200123
EOS-3-48971,Cn1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)cc2F)n1,ZQDWLLWJOFGMOA-UHFFFAOYSA-N,3,1,0.488,13,145,440.36,4.541,5,0.303,0.66,1.0,0.677583784524707,0.7766602700294702,0.9686193543965458,0.957884997601261,0.845187101637996
EOS-3-48972,Fc1c(Cl)ccc(Cl)c1Oc1cncc2nnc(-c3ccc(-c4nncs4)cn3)n12,QRVGMMWALKFCCC-UHFFFAOYSA-N,3,1,0.37,13,251,460.281,4.943,5,0.351,0.67,1.0,0.6527825371804538,0.7509252278802001,0.7640583236241518,0.8306832979233775,0.7496123466520458
EOS-3-48973,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(F)c3Cl)n12,FCVDBYXFICQNBM-UHFFFAOYSA-N,3,1,0.577,23,255,408.195,4.35,4,0.503,0.73,1.0,0.9417363443218423,0.957293879788911,0.9719004866013295,0.9849564800219314,0.9639717976835036
EOS-3-48974,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ncno5)c4)n23)cc1Cl,QJXUSTNEHUUQRZ-UHFFFAOYSA-N,3,1,0.608,13,15,408.78,4.426,5,0.434,0.76,1.0,0.8691830580494826,0.7553714618600507,0.8434908505242958,0.8617898019326983,0.8324587930916318
EOS-3-48975,CCc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)c(Cl)c5)c4)n23)cn1,RJMFPLJEXVOQLV-UHFFFAOYSA-N,3,1,0.5,75,401,478.343,5.092,5,0.336,0.77,1.0,0.668168734151189,0.7466931670207663,0.6752021794256734,0.711860050716195,0.700481032828456
EOS-3-48976,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cs2)n1,OCWYJPFSXCGYRA-UHFFFAOYSA-N,3,1,0.375,50,243,411.401,3.043,5,0.448,0.62,0.662,0.1572287711603043,0.2588067987115345,0.31826982386402575,0.3155198409978754,0.262456308683435
EOS-3-48977,Fc1cc(-c2ncccc2-c2cncc3nnc(-c4ccccc4)n23)c(F)cc1Cl,PSFBZPRNPBOONW-UHFFFAOYSA-N,3,1,0.394,45,558,419.822,5.452,5,0.365,0.76,1.0,0.4029538756767871,0.5847525872112946,0.9562315811116442,0.9730570214515798,0.7292487663628264
EOS-3-48978,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)s5)n34)cc(Cl)n2)nc1,AABMGBHEDNNQFN-UHFFFAOYSA-N,3,1,0.518,73,930,457.853,4.215,5,0.365,0.54,0.998,0.7260297443629635,0.7852357617709547,0.6115327941881982,0.6660184360222055,0.6972041840860805
EOS-3-48979,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cnc(-c6ccncc6)cn5)n34)ccn2)n1,OAWHIBGEEMJARQ-UHFFFAOYSA-N,3,1,0.473,28,942,477.463,3.818,6,0.33,0.59,1.0,0.5509732026591735,0.49605921458433283,0.4857532040298814,0.4424302652319923,0.49380397162634504
EOS-3-48980,CCn1c(-c2csc(C)n2)nnc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)cc3)n12,ZPMQJMCCHJIVBK-UHFFFAOYSA-N,3,1,0.308,8,474,482.577,4.211,6,0.362,0.66,1.0,0.06534850250154205,0.08563498046741141,0.022419642245219657,0.021571516688369544,0.04874366047563567
EOS-3-48981,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cc(Cl)nc(-c4ncccn4)c3)n12,DPIJVCOHLHBUGO-UHFFFAOYSA-N,3,1,0.461,73,242,469.267,4.063,5,0.355,0.56,0.999,0.8399955451990954,0.8290384483585772,0.6858251661983414,0.7411075320402988,0.7739916729490782
EOS-3-48982,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)ncn2)ccn1,JOUJLBCTLMQFSZ-UHFFFAOYSA-N,3,1,0.394,6,584,467.428,2.542,6,0.363,0.48,1.0,0.479884860530464,0.5322287711603043,0.29629566170927285,0.25791583853060107,0.3915812829826606
EOS-3-48983,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(F)n5)ncc4Cl)n23)cc1,CXUJDAIATLJVFR-UHFFFAOYSA-N,3,1,0.478,89,805,489.898,3.979,5,0.359,0.83,0.999,0.8171389897882256,0.6612295250496881,0.67521074635049,0.5957268179014461,0.6873265197724625
EOS-3-48984,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cccnn5)c(F)n4)n23)c(F)c1,TVDUIFBIFKZXDG-UHFFFAOYSA-N,3,1,0.422,59,223,453.359,3.779,5,0.296,0.6,0.989,0.7500171338496333,0.7188934959906792,0.8967171544102529,0.8950209032965527,0.8151621718867795
EOS-3-48985,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)ncn1,OAEJUTKVJBSAAW-UHFFFAOYSA-N,3,1,0.414,65,658,412.417,1.758,5,0.406,0.58,0.999,0.47238023439106297,0.2846789116578713,0.06954629566170928,0.054708381879240625,0.22032845589747102
EOS-3-48986,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncnn6C)n5)n34)c(F)c2)n[nH]1,WFHUEUQKZOPHIM-UHFFFAOYSA-N,3,1,0.446,4,610,483.471,2.793,6,0.379,0.62,1.0,0.4302223973682407,0.5006168185868001,0.13540881365225138,0.11640737440888219,0.2956638510040436
EOS-3-48987,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)c4)n23)c(Cl)c1,DHPCZHBGJBUZSG-UHFFFAOYSA-N,3,1,0.483,27,51,467.867,4.757,5,0.358,0.62,1.0,0.6588907545747379,0.7594750188472346,0.9096018093345213,0.8649766979644986,0.7982360701802481
EOS-3-48988,Cc1nnc(CCNC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(Cl)cc5)n34)cc2)s1,IYWBDJSCCDONQU-UHFFFAOYSA-N,3,1,0.43,62,319,489.992,4.168,5,0.368,0.82,1.0,0.24266671235693235,0.24884346514974984,0.16001302172572132,0.21124323212939483,0.2156916078404496
EOS-3-48989,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccco6)cn5)n34)n2)cc1,ORLDEUDZMSNBBD-UHFFFAOYSA-N,3,1,0.286,10,952,407.397,3.089,6,0.438,0.76,0.904,0.009492152696867932,0.01814474676170242,0.10981940922486465,0.1718610787471729,0.07732934685765197
EOS-3-48990,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,BSOLWDOOBVUAJG-UHFFFAOYSA-N,3,1,0.465,65,456,474.912,3.63,5,0.349,0.58,1.0,0.6681773010760057,0.5847611541361113,0.27021794256733606,0.21694880405729558,0.43502630045918717
EOS-3-48991,Cn1nc(C(F)(F)F)cc1-c1cc(COc2cncc3nnc(-c4ccc(CO)nc4)n23)ncn1,ZGJURGNPTZLGGL-UHFFFAOYSA-N,3,1,0.469,27,52,483.414,2.467,5,0.387,0.61,1.0,0.48968542252073194,0.5186159276266191,0.722508738263313,0.48882016311424853,0.5549075628812281
EOS-3-48992,Cn1cnnc1-c1cc(-c2cncc3nnc(-c4cc(F)cc(Cl)c4)n23)cnn1,KFNDNLZXGLFOCM-UHFFFAOYSA-N,3,1,0.417,22,844,407.8,2.836,5,0.453,0.71,0.999,0.13522890823110137,0.2794445205948873,0.4001010897128367,0.5582208210540744,0.34324883489822494
EOS-3-48993,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cccc(C)n5)c4)n23)nc1,PRZGCHZPZCHFMU-UHFFFAOYSA-N,3,1,0.449,1,348,408.465,4.444,5,0.428,0.8,1.0,0.49980296072921665,0.295130559934206,0.5542200671646905,0.4583304776917278,0.45187101637996024
EOS-3-48994,Fc1cccc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n1,DDJOFEJBWHMJPA-UHFFFAOYSA-N,3,1,0.444,54,873,414.404,2.799,5,0.391,0.57,1.0,0.6775923514495237,0.5186244945514358,0.36281783291069836,0.3794976355287506,0.4846330786101021
EOS-3-48995,Clc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cocn5)cn4)n23)cc1,CXFDUDSKVASHQE-UHFFFAOYSA-N,3,1,0.365,32,20,451.877,5.224,6,0.362,0.63,0.998,0.27205126447810296,0.42914296484134057,0.669488040572956,0.7435319717634158,0.5285535604139538
EOS-3-48996,COC(C)(C)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccc5C)cc4F)n23)cn1,YIEMPPGTEZUIFS-UHFFFAOYSA-N,3,1,0.333,96,204,454.509,5.244,5,0.361,0.68,0.924,0.43023096429305735,0.5139812213008018,0.8547477897333973,0.6923445959838257,0.6228261428277706
EOS-3-48997,Cc1ccc(-c2nnc3cncc(-c4cc(F)ccc4OCc4ccc(F)c(F)c4)n23)cc1,POGJPSZJGRANDL-UHFFFAOYSA-N,3,1,0.494,57,533,446.432,5.763,5,0.344,0.78,1.0,0.8017013912685902,0.8968542252073196,0.985144952367898,0.9818895209375642,0.9163975224453429
EOS-3-48998,Fc1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(Cl)n5)n4C(F)F)n23)c(F)c1,QETLDUUHFYIFLF-UHFFFAOYSA-N,3,1,0.4,22,311,460.782,4.438,5,0.291,0.67,1.0,0.2641525597971352,0.532237338085121,0.809985607566308,0.8950294702213694,0.6253512439174834
EOS-3-48999,CCn1nc(C)c(-c2ccc(-c3cncc4nnc(-c5cnc(C(F)F)cc5C)n34)cn2)c1C,OZTPILVCUUCEEF-UHFFFAOYSA-N,3,1,0.289,82,974,460.492,4.995,5,0.367,0.63,0.993,0.15440168597080392,0.2284970187101638,0.3816565005825509,0.29363134809128916,0.26454663833870196
EOS-3-49000,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C(F)F)c5)sn4)n23)nc1,UBBZDUMRLQLDCD-UHFFFAOYSA-N,3,1,0.394,33,53,483.464,2.84,5,0.375,0.61,1.0,0.31474025083955864,0.3000651086286067,0.29980810088410664,0.1663525460900555,0.27024150161058186
EOS-3-49001,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c(F)c(-c2cccs2)c1,RNLALYRPFAISCB-UHFFFAOYSA-N,3,1,0.443,59,445,455.877,5.425,5,0.354,0.71,1.0,0.8626550613391817,0.8730467411417997,0.9229319443492564,0.9386265506133918,0.8993150743609074
EOS-3-49002,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(Cl)c(F)c6)n5)n34)cc2)nc1,ZUACTVUYFCNWFF-UHFFFAOYSA-N,3,1,0.325,3,635,487.861,4.428,6,0.362,0.78,1.0,0.11335754917414845,0.3634260845726818,0.7094784456171612,0.7834452744842711,0.4924268384620657
EOS-3-49003,Fc1cc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)c(F)cn1,HKQSRDNJLWYTTQ-UHFFFAOYSA-N,3,1,0.407,46,949,418.367,2.896,5,0.402,0.53,1.0,0.7586611609896512,0.584769721060928,0.5772393941470769,0.5418322938797889,0.6156256425193612
EOS-3-49004,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)cc1-c1ccc(F)cn1,ADINMKANKCUPIP-UHFFFAOYSA-N,3,1,0.446,87,141,479.422,3.691,5,0.326,0.68,0.998,0.7959187170173394,0.7766688369542869,0.6777465560962237,0.5986652731135631,0.7122498457953532
EOS-3-49005,CC(C)(C#N)c1cnc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)n5)cn4)n23)cn1,RBTYJADUOXGRAG-UHFFFAOYSA-N,3,1,0.366,51,48,468.456,2.953,5,0.341,0.54,1.0,0.5457816462202728,0.5369148790350216,0.37806695908436705,0.24594784456171612,0.42667783222534433
EOS-3-49006,c1cc(-c2ccc(-c3nnc4cncc(OCCC5CCOCC5)n34)cn2)cs1,URFFIFLZHZCVSB-UHFFFAOYSA-N,3,1,0.519,78,548,407.499,4.11,5,0.479,0.82,1.0,0.3094801590021246,0.16842574189568912,0.02760263175930368,0.14311047906243574,0.1621547529298883
EOS-3-49007,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2Cl)ccn1,OOAADHDHDDOSRL-UHFFFAOYSA-N,3,1,0.554,34,71,467.291,5.273,5,0.328,0.73,1.0,0.9370502364471249,0.9764409567541635,0.935782331574258,0.9540641491330272,0.9508344184771433
EOS-3-49008,COc1cc(-c2nnc3cncc(OCc4sccc4C)n23)ccc1-c1ccc(F)nc1,OAAQPTSBTDTTBJ-UHFFFAOYSA-N,3,1,0.484,97,83,447.495,4.95,5,0.343,0.66,1.0,0.8171475567130423,0.7852443286957713,0.752655746693167,0.6254968816393668,0.7451361284353369
EOS-3-49009,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cc(F)n1,LBIDWKHUZJVAOB-UHFFFAOYSA-N,3,1,0.452,2,419,465.851,4.462,5,0.354,0.59,1.0,0.7471472140360497,0.7724196422452196,0.8860941676375849,0.8632119114522651,0.8172182338427797
EOS-3-49010,Fc1ccc(COc2cnc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cn2)cc1F,IGBUYZDHPVMORR-UHFFFAOYSA-N,3,1,0.523,46,94,482.838,3.461,5,0.344,0.67,1.0,0.7586697279144679,0.7189020629154959,0.6994123089575766,0.6777979576451237,0.7136955143581659
EOS-3-49011,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5nccnc5-c5ccnnc5)n34)nc2)cn1,QWNPZEKJWKTHQB-UHFFFAOYSA-N,3,1,0.417,80,953,479.439,2.608,6,0.348,0.57,1.0,0.5022359673771503,0.42471386471112327,0.23107566307998081,0.21969878692344597,0.34443107052292504
EOS-3-49012,CCc1nc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)ccc1-c1cnc(C)nc1,PZICXFRIYLAKNX-UHFFFAOYSA-N,3,1,0.42,31,690,470.512,3.978,5,0.352,0.57,1.0,0.5642262353505586,0.5509903365088068,0.2890137756151052,0.19103385648687546,0.3988160509903365
EOS-3-49013,Cn1c(COc2cncc3nnc(-c4ccc(CO)nc4)n23)nnc1C(F)(F)F,UWYGNAJAUNGVBW-UHFFFAOYSA-N,3,1,0.53,68,127,406.328,1.405,4,0.529,0.73,1.0,0.4438181070522925,0.5093979165238846,0.38166506750736756,0.2459564114865328,0.39520937564251934
EOS-3-49014,Cn1nnc(-c2ccc(CCCc3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)nc2)n1,FOTFXFJUYCXURG-UHFFFAOYSA-N,3,1,0.543,36,784,481.442,3.293,5,0.332,0.69,1.0,0.6652474127887054,0.7144986635597286,0.4214927009800562,0.45207662257556025,0.5633288499760126
EOS-3-49015,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(C)o5)n34)ccn2)ncn1,YEEYLKVQSMQPKX-UHFFFAOYSA-N,3,1,0.511,75,819,413.441,3.475,5,0.417,0.62,1.0,0.5431858680008225,0.27945308751970394,0.27426153108080326,0.17447399081625659,0.31784361935439653
EOS-3-49016,Cc1cccc(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)c1F,AWVQQUKBGZMJNF-UHFFFAOYSA-N,3,1,0.5,1,709,417.469,4.941,5,0.405,0.71,1.0,0.7440288534027826,0.6412857240764855,0.8284987320951271,0.7812435748063875,0.7487642210951957
EOS-3-49017,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5nc(Cl)ncc5F)n34)c2)n1,XCVPVYCYHNHDPQ-UHFFFAOYSA-N,3,1,0.426,65,858,463.864,3.156,5,0.35,0.51,1.0,0.7931258995271058,0.7329175519155644,0.2742700980056199,0.2907100267288054,0.5227558940442738
EOS-3-49018,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)cc(Cl)n2)nc1F,WTFBJEMHXFLAHO-UHFFFAOYSA-N,3,1,0.473,65,361,463.864,3.156,5,0.35,0.47,0.929,0.812101637996025,0.8017613597423069,0.3070814200534576,0.3216109245425262,0.560638835583579
EOS-3-49019,c1cnc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)s2)cn1,JQQKVWZYZUZNBT-UHFFFAOYSA-N,3,1,0.39,80,584,456.455,1.859,6,0.39,0.46,1.0,0.3370742238366116,0.3919539442121856,0.01626859022685217,0.014683709135768625,0.1899951168528545
EOS-3-49020,Cc1cccc(-c2ccc(Oc3cncc4nnc(-c5cccnc5C)n34)nc2)c1F,RSWJLFMTADLZOX-UHFFFAOYSA-N,3,1,0.387,97,412,412.428,4.797,5,0.422,0.73,1.0,0.6209135768624494,0.5988023439106298,0.7455537660201494,0.6660270029470221,0.6578241724350626
EOS-3-49021,Cn1c(COc2ccccn2)nnc1COc1cncc2nnc(-c3ccc(Cl)cc3F)n12,IFBLERKEKREDSK-UHFFFAOYSA-N,3,1,0.549,34,446,466.864,3.265,5,0.36,0.49,1.0,0.5585634980467411,0.7766774038791036,0.19918100198752656,0.28754026454663834,0.4554905421150024
EOS-3-49022,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5ccnc(C)c5)ncn4)n23)cn1,QIKOZNNLBTVIJA-UHFFFAOYSA-N,3,1,0.396,7,828,411.429,2.629,5,0.43,0.61,1.0,0.36032485778904805,0.1813103968199575,0.16320848468233842,0.09864813926392982,0.20087296963881843
EOS-3-49023,Clc1cnc(-c2nncc(-c3cncc4nnc(-c5cnc(-c6cnccn6)cn5)n34)n2)s1,CCUQNTUHFVXBOV-UHFFFAOYSA-N,3,1,0.266,86,513,472.885,2.667,6,0.373,0.48,0.995,0.09571825097662943,0.22850558563498047,0.03217736961140429,0.0704972243163594,0.1067246076348434
EOS-3-49024,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ncc6ncccn56)n34)nc(Cl)n2)c1,YCJFZGQKTNZLLK-UHFFFAOYSA-N,3,1,0.343,31,296,473.888,2.299,6,0.335,0.53,0.997,0.4072973065588376,0.3731324103899664,0.04812898362003975,0.07050579124117606,0.22476612295250495
EOS-3-49025,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)c(F)c1,UWMLVJPSUXAAAJ-UHFFFAOYSA-N,3,1,0.473,59,607,466.879,5.185,5,0.344,0.67,1.0,0.7618309231718182,0.8358234528133781,0.92557055719279,0.9216126379274896,0.861209392776369
EOS-3-49026,c1ccc(-c2ncsc2-c2nnc3cncc(OCc4ncc(-c5cccnn5)s4)n23)cc1,PKXDGVQKAGQTCK-UHFFFAOYSA-N,3,1,0.462,28,363,470.543,4.407,6,0.353,0.66,1.0,0.23173531629086422,0.24386608183126585,0.09008121444726201,0.12751867589610033,0.1733003221163731
EOS-3-49027,COc1nnc(-c2nc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2Cl)o1,PKQWFZPPEDTVEB-UHFFFAOYSA-N,3,1,0.368,52,423,488.895,3.458,6,0.381,0.79,0.995,0.4139281063669385,0.3827187992598177,0.06139915016105819,0.09653210883421287,0.23864454115550682
EOS-3-49028,Fc1ccc(CCOc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)c(Cl)c1,FFYLIXOCXYHAPF-UHFFFAOYSA-N,3,1,0.576,84,73,452.902,4.724,5,0.371,0.57,1.0,0.7230398876019464,0.8059248852032075,0.7929888287300391,0.8207627989856761,0.7856791001302172
EOS-3-49029,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)ccc2Cl)cn1,HDPJQOAHXMOOSW-UHFFFAOYSA-N,3,1,0.407,13,417,453.264,5.487,5,0.335,0.73,1.0,0.8602391885408813,0.9471078061818929,0.9298111849770406,0.94960934822836,0.9216918819820438
EOS-3-49030,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,PMTIQRAFTHJBQQ-UHFFFAOYSA-N,3,1,0.462,65,804,480.891,3.404,5,0.349,0.61,0.875,0.665255979713522,0.5462271263107394,0.3589027482694812,0.3185525323829758,0.47223459666917966
EOS-3-49031,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnc5F)c4)n23)cn1,IIRAXDNAXCYVQO-UHFFFAOYSA-N,3,1,0.412,6,34,479.479,3.762,6,0.332,0.63,1.0,0.7199729285175793,0.5604910561304914,0.46848228359947913,0.3981906654787198,0.5367842334315674
EOS-3-49032,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1,OFKRUTCRDHIWCQ-UHFFFAOYSA-N,3,1,0.346,61,917,405.372,2.981,5,0.453,0.81,1.0,0.27713145089438695,0.29513912685902266,0.5406329244054554,0.5644318415461586,0.41933383592625584
EOS-3-49033,Cc1nc(-c2cn(C)cn2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,PSWFZCSDMYCZBL-UHFFFAOYSA-N,3,1,0.381,31,851,414.433,1.702,5,0.408,0.56,0.999,0.35093550818998015,0.11686998834898225,0.030909464738537454,0.018675896100335824,0.12934771434445894
EOS-3-49034,Fc1ccc(-c2nnc3cncc(-c4ocnc4-c4cccc(F)c4F)n23)c(F)c1,PXXGQBJIGYVSCF-UHFFFAOYSA-N,3,1,0.402,45,102,411.318,4.67,5,0.404,0.77,1.0,0.4557004317730108,0.6463830443424029,0.9644129943115619,0.9754985950243301,0.7604987663628264
EOS-3-49035,COCc1ccc(-c2cc(-c3nnc4cncc(COc5cc(F)cc(Cl)c5)n34)ccn2)cn1,APARMNPQCBIYFG-UHFFFAOYSA-N,3,1,0.406,14,189,476.899,4.766,5,0.334,0.68,1.0,0.5642348022753753,0.6084401343293812,0.8402782537180453,0.8126242204098417,0.7063943526831609
EOS-3-49036,COc1cc(-c2nnc3cncc(OCc4sccc4F)n23)ccc1-c1ccc(F)nc1,LFSQXWAWSGKALY-UHFFFAOYSA-N,3,1,0.484,97,83,451.458,4.781,5,0.346,0.62,1.0,0.8831557124254678,0.8730553080666164,0.8666044136796656,0.8015471866218902,0.8560906551984099
EOS-3-49037,Fc1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(Cl)c(Cl)c4)n23)cc1,NTQUYOFMGHZGRE-UHFFFAOYSA-N,3,1,0.435,83,533,436.277,5.966,5,0.35,0.83,1.0,0.45111712699609346,0.7467017339455829,0.9673086148995956,0.9860787471729148,0.7878015557535467
EOS-3-49038,Cn1nncc1-c1cc(-c2nnc3cncc(OCCCOc4c(F)cccc4F)n23)ccc1F,YPMKEYDCGXWUCI-UHFFFAOYSA-N,3,1,0.462,88,70,481.438,3.852,5,0.311,0.73,1.0,0.6292748954835172,0.7236567061887464,0.735530463984648,0.7223373997669796,0.7026998663559728
EOS-3-49039,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)c(F)c1,KZDDUOYEVGMYMO-UHFFFAOYSA-N,3,1,0.528,37,832,467.867,4.14,5,0.349,0.57,1.0,0.7986858337331232,0.8059334521280241,0.8355493112192447,0.8245408128298266,0.8161773524775546
EOS-3-49040,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ncc1-c1nccs1,CACNQOADGFMKSE-UHFFFAOYSA-N,3,1,0.39,46,62,469.889,4.085,5,0.343,0.61,0.999,0.719981495442396,0.5896785689808787,0.5475207319580563,0.4888287300390652,0.586502381605099
EOS-3-49041,OCc1ccnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ccc2F)c1,YYLINEFDBOMSAC-UHFFFAOYSA-N,3,1,0.473,59,89,480.862,4.251,5,0.388,0.63,0.998,0.9390548968542252,0.9037163319854705,0.9451545473236926,0.9369302994996916,0.9312140189157699
EOS-3-49042,Cn1ccnc1-c1cc(F)cc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)c1,HPJSPVKVDDWQBG-UHFFFAOYSA-N,3,1,0.549,59,607,454.387,4.327,5,0.292,0.65,1.0,0.6984442464532932,0.6562093071071208,0.9593585086697279,0.9496179151531766,0.8159074943458297
EOS-3-49043,Cn1nc(-c2nnc3cncc(OCCc4cncs4)n23)cc1-c1c(F)ccc(F)c1Cl,NYULQSAYAGTEBH-UHFFFAOYSA-N,3,1,0.462,95,998,473.896,4.201,5,0.344,0.61,1.0,0.46243403467891164,0.4557175656226441,0.5995476663696799,0.6747909670344733,0.5481225584264272
EOS-3-49044,Fc1cccc(-c2ccnc(Cc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c2)n1,LLRQZTADNKTIQQ-UHFFFAOYSA-N,3,1,0.462,14,476,451.387,4.392,5,0.298,0.62,1.0,0.47483037488863,0.6224127887053663,0.9556918648481941,0.9107412103351381,0.7409190596943321
EOS-3-49045,CCCCc1cncc(COc2cncc3nnc(-c4ccc(F)c(-c5nncc(C)n5)c4)n23)c1,QAUCVCGIEGFEAS-UHFFFAOYSA-N,3,1,0.474,16,256,470.512,4.407,5,0.329,0.62,0.997,0.6834778287985744,0.6366852854499349,0.2818775272428209,0.2579244054554177,0.464991261736687
EOS-3-49046,COc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3nc(C)cnc3Cl)n12,CDCAJHWYNMWZNI-UHFFFAOYSA-N,3,1,0.43,65,456,475.9,3.025,5,0.346,0.56,1.0,0.6041652388458639,0.5277825371804538,0.04999657323007333,0.04280892330888904,0.30618831814132
EOS-3-49047,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)nc4)n23)nc1,GYVQBSIBJYRZJI-UHFFFAOYSA-N,3,1,0.359,42,318,481.907,4.49,6,0.331,0.73,1.0,0.5752604345144267,0.5553252004660407,0.5064937290110342,0.47380234391062986,0.5277204269755328
EOS-3-49048,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)c2)cn1,WHCYTZQGTVRFSP-UHFFFAOYSA-N,3,1,0.44,7,858,411.429,2.629,5,0.43,0.6,1.0,0.3741176067438832,0.24387464875608253,0.160021588650538,0.09458741690082928,0.21815031526283327
EOS-3-49049,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)cnn2)cn1,ADYICYAETCUWTB-UHFFFAOYSA-N,3,1,0.443,53,587,412.417,2.024,5,0.422,0.58,1.0,0.3271280241244603,0.2234168322938798,0.06955486258652593,0.04543040230278939,0.16638253032691386
EOS-3-49050,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6cccc(Cl)n6)n5)n34)cc2)nc1,PYTUDHVDTXMHHT-UHFFFAOYSA-N,3,1,0.325,3,186,481.882,4.56,6,0.337,0.71,1.0,0.35321431019121374,0.4688677952162292,0.5772479610718936,0.6866475909807416,0.5214944143650195
EOS-3-49051,FC(F)Oc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)nc1,SNXVRTCUYYNFNP-UHFFFAOYSA-N,3,1,0.598,1,850,480.862,5.082,5,0.321,0.8,1.0,0.9278921938181071,0.9716434788568296,0.9392690699746419,0.9267870605167569,0.9413979507915838
EOS-3-49052,Fc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c(F)c2)c1,QRDHMXRAAQDTOB-UHFFFAOYSA-N,3,1,0.464,13,236,453.811,5.716,5,0.348,0.76,1.0,0.9071859365362209,0.9491638681378932,0.9839198821191145,0.9899338633404153,0.957550887533411
EOS-3-49053,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)ccn1,NETTUTRGKRTLKE-UHFFFAOYSA-N,3,1,0.489,2,76,465.851,4.196,5,0.347,0.55,1.0,0.8325680213830443,0.8730638749914331,0.862338085120965,0.8665187444314989,0.8586221814817353
EOS-3-49054,Cc1nc(-c2ccc(F)cc2F)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)s1,IOPAUQAUPZHMFW-UHFFFAOYSA-N,3,1,0.435,45,533,439.878,5.822,5,0.355,0.78,1.0,0.31726749366047563,0.6412942910013022,0.8734665204578165,0.9318072784593242,0.6909588958947296
EOS-3-49055,CCc1nc(-c2nnc3cncc(Oc4ccc(F)c(C)c4)n23)ccc1-c1cncc(C)n1,HTJKMRQMJURVDY-UHFFFAOYSA-N,3,1,0.429,44,690,441.47,4.754,5,0.388,0.58,0.966,0.5781646220272771,0.5414467822630389,0.4472277431293263,0.3826159961620177,0.487363785895415
EOS-3-49056,COc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(C)nn5)nc4OC)n23)n1,IAAVGJNBBTUIMN-UHFFFAOYSA-N,3,1,0.468,49,456,470.493,2.985,5,0.334,0.52,0.999,0.38555445137413474,0.10797752038928106,0.09941916249742992,0.033650880679871154,0.1566505037351792
EOS-3-49057,Cn1nncc1-c1cncc(-c2nnc3cncc(Oc4c(F)c(F)cc(F)c4F)n23)c1,XCALWFZVHVBWJV-UHFFFAOYSA-N,3,1,0.404,2,995,442.336,3.331,5,0.311,0.56,1.0,0.4624426016037283,0.5509989034336235,0.882581728462751,0.8566068124186142,0.6881575114796793
EOS-3-49058,Fc1cc(-c2cc(-c3nnc4cncc(Oc5c(F)cccc5F)n34)ccn2)c(F)cn1,DAFKQYWPRIQNOV-UHFFFAOYSA-N,3,1,0.443,13,110,438.344,4.597,5,0.302,0.66,1.0,0.8714961277499829,0.8703995613734494,0.9605064765951614,0.9567370296758275,0.9147847988486053
EOS-3-49059,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(C(F)F)nc5)ncn4)n23)cc1Cl,SQBCBZWDPKHGDY-UHFFFAOYSA-N,3,1,0.506,44,573,469.814,5.166,5,0.351,0.67,0.948,0.822621821670893,0.8526488931533137,0.9480758686861764,0.940399904050442,0.8909366218902064
EOS-3-49060,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nccnc5Oc5ccc(F)cc5)n34)cc2)n1C,NLAXCGQYCPVKEP-UHFFFAOYSA-N,3,1,0.43,38,50,478.491,4.889,6,0.348,0.76,1.0,0.4673171818244123,0.5139897882256186,0.5338136522513879,0.4858474402028648,0.500242015626071
EOS-3-49061,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cc(C#N)ns1,BPFDMTRQHNGYTP-UHFFFAOYSA-N,3,1,0.439,95,493,463.914,3.19,5,0.352,0.54,1.0,0.39018915769995205,0.3731409773147831,0.23464807072853128,0.28484168322938797,0.32070497224316363
EOS-3-49062,Cc1cncc(-c2nccc(Oc3cncc4nnc(-c5ccc(-c6ccnn6C)cc5F)n34)n2)c1,XOXMAVKAAPGXIY-UHFFFAOYSA-N,3,1,0.343,40,318,479.479,4.284,6,0.36,0.65,1.0,0.5147094099102186,0.4911589335891988,0.5065022959358508,0.42044753615242275,0.4832045438969227
EOS-3-49063,CCc1nc(-c2nnc3cncc(OCCc4cnsc4C)n23)ccc1-c1cccc(F)n1,JHGXNWVNCJEMIT-UHFFFAOYSA-N,3,1,0.426,49,690,461.526,4.336,5,0.333,0.61,1.0,0.4392776368994586,0.46887636214104583,0.147462476869303,0.14796792543348639,0.3008961003358235
EOS-3-49064,COc1nc(-c2nnc3cncc(Oc4ncccc4Cl)n23)ccc1-c1nc(C)c(F)s1,PJWRWPWBPDNUED-UHFFFAOYSA-N,3,1,0.337,49,501,469.889,4.607,5,0.368,0.62,0.999,0.5838616270303612,0.5694349256390926,0.23815194297854841,0.21430162428894525,0.4014375299842369
EOS-3-49065,CCOc1nc(-c2cnc(F)nn2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,FFABWAWGPLFDDC-UHFFFAOYSA-N,3,1,0.474,65,456,477.435,2.732,5,0.329,0.59,1.0,0.7440374203275992,0.5794496607497772,0.2595007196216846,0.20812487149612774,0.44777816804879716
EOS-3-49067,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)n4C)n23)c(F)c1,FKTUCMDXUPTELA-UHFFFAOYSA-N,3,1,0.442,80,8,482.483,3.1,6,0.356,0.6,1.0,0.467325748749229,0.5369234459598382,0.2381605099033651,0.2143101912137619,0.36417997395654855
EOS-3-49068,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ncc4F)n23)ccc1-c1ccccn1,VWFDMQAGTNIWMY-UHFFFAOYSA-N,3,1,0.511,11,777,476.899,4.671,5,0.315,0.7,1.0,0.9447776026317593,0.8892125282708518,0.7998680693578233,0.7435405386882324,0.8443496847371667
EOS-3-49069,COc1cc(-c2c(C)nn(C)c2C)ccc1-c1cncc2nnc(-c3ccc(Cl)cc3OC)n12,GJVLSQXLJFSQAK-UHFFFAOYSA-N,3,1,0.356,61,697,474.952,5.146,5,0.35,0.75,1.0,0.2854242341169214,0.37314954423959973,0.5995562332944966,0.455100747035844,0.4283076896717154
EOS-3-49070,Clc1ccc(COc2ccc(-c3nnc4cncc(CCc5cncc(Cl)n5)n34)cc2)cc1,DBGIXXBVARDGAY-UHFFFAOYSA-N,3,1,0.5,14,886,477.355,5.252,5,0.319,0.81,1.0,0.6743711877184566,0.7509337948050168,0.7526643136179837,0.8225875539716263,0.7501392125282709
EOS-3-49071,CCc1csc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)s5)n34)[nH]2)n1,FOPHGRQOLAYIRK-UHFFFAOYSA-N,3,1,0.24,99,794,461.54,3.119,6,0.415,0.52,0.012,0.025366664382153382,0.012336371736001646,0.005294359536700706,0.003452470701117127,0.011612466588993215
EOS-3-49072,Cc1ccc(-c2nnc3cncc(CCc4ccc(Cl)c(Br)c4)n23)c(Cl)c1,LFEZJRKEAYTVAW-UHFFFAOYSA-N,3,1,0.518,23,646,462.178,5.954,4,0.376,0.78,1.0,0.5642433692001919,0.7053234870810774,0.9433040915632924,0.9700414639161127,0.7957281029401686
EOS-3-49073,Cc1nc(-c2nnc3cncc(OCCc4ccnc(C(F)(F)F)c4)n23)ccc1-c1ccccn1,HZBIOSWEBUIXPG-UHFFFAOYSA-N,3,1,0.478,49,159,477.45,4.592,5,0.353,0.62,1.0,0.846763415804263,0.7766859708039202,0.8666129806044822,0.7145671989582619,0.8011573915427319
EOS-3-49074,Fc1cc(F)cc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)ccn2)c1,COEQNVAIECUVKJ-UHFFFAOYSA-N,3,1,0.506,59,89,452.371,4.384,5,0.291,0.65,1.0,0.8669556575971489,0.8461808649167295,0.9610119251593447,0.9554091563292441,0.9073894010006168
EOS-3-49075,CCOc1cc(-c2nnc(C)n2C)oc1-c1nnc2cncc(-c3cnn(-c4ccccc4)c3)n12,YSVRZTXNHVJNNY-UHFFFAOYSA-N,3,1,0.273,10,195,467.493,3.74,6,0.364,0.6,0.009,0.012430607908984991,0.006159618943184154,0.06729319443492564,0.05916318278390789,0.03626165101775067
EOS-3-49076,Cc1cccc(COc2cncc3nnc(-c4cc(F)cc(-c5cnc(Cl)c(C)c5)c4)n23)n1,DWGYPLZUGZBXJT-UHFFFAOYSA-N,3,1,0.576,4,439,460.9,5.237,5,0.334,0.71,1.0,0.5781731889520938,0.6612380919745048,0.8419916386813789,0.8101912137619081,0.7228985333424713
EOS-3-49077,COc1ncc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)cc1-c1cccc(F)c1,DLTVLHKKANEWHT-UHFFFAOYSA-N,3,1,0.521,35,657,474.471,4.465,5,0.344,0.65,1.0,0.7789819066547872,0.7467103008703996,0.7479525049688164,0.6545901583167706,0.7320587177026934
EOS-3-49078,CCn1cncc1-c1cc(-c2nnc3cncc(CCc4ncc(C)s4)n23)cnc1Cl,YCSOITQLIFXSLI-UHFFFAOYSA-N,3,1,0.306,85,580,450.959,4.273,5,0.359,0.56,1.0,0.12407477211979988,0.22342539921869645,0.09672914810499623,0.13185353985333426,0.1440207148242067
EOS-3-49079,N#CCc1cccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)c1,ZCHSGRLFULEKJC-UHFFFAOYSA-N,3,1,0.343,96,581,408.4,3.515,5,0.448,0.7,1.0,0.2509252278802001,0.32503769446919334,0.6415684325954355,0.7332173942841478,0.48768718730724414
EOS-3-49080,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccccc5C)nn4)n23)cc1,CZBJNDUANWZMGK-UHFFFAOYSA-N,3,1,0.564,1,347,408.465,4.444,5,0.428,0.8,1.0,0.6126207936399151,0.4960677815091495,0.5438797889109726,0.4796449866355973,0.5330533376739086
EOS-3-49081,Cc1cc(-c2nnc3cncc(OCc4csc(-c5ccccc5)n4)n23)ccc1Cl,MCMURYYTXVVBCJ-UHFFFAOYSA-N,3,1,0.529,1,347,433.924,5.456,5,0.368,0.78,1.0,0.704483928449044,0.8393530258378452,0.6559265985881708,0.6923531629086424,0.7230291789459257
EOS-3-49082,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ncccn6)nn5)n34)nn2)n1,ORXLFAKSKJWZHD-UHFFFAOYSA-N,3,1,0.367,6,826,480.427,2.003,6,0.32,0.58,0.898,0.48969398944554865,0.44699643615927626,0.04652696867932287,0.06361798368857514,0.2617088444931807
EOS-3-49083,COc1ncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ccccc1F,RFHVRORASUHWGE-UHFFFAOYSA-N,3,1,0.489,11,848,476.899,4.671,5,0.315,0.75,1.0,0.7931344664519224,0.8557158522376808,0.6914622027277089,0.6778065245699404,0.7545297614968131
EOS-3-49084,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccn(C)n5)n34)cnn2)c1,DXTAKYZWYVSQLR-UHFFFAOYSA-N,3,1,0.41,92,778,413.445,2.307,5,0.417,0.58,1.0,0.30678157768487424,0.15298814337605374,0.12394626824754985,0.09459598382564595,0.16957799328353093
EOS-3-49085,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc(C)nn6)c(F)c5)n34)cc2)nc1,KANGDLLUZAFHBF-UHFFFAOYSA-N,3,1,0.333,9,98,474.503,5.128,6,0.35,0.67,1.0,0.3147488177643753,0.4291515317661572,0.6291977931601672,0.6169213898978823,0.4975048831471455
EOS-3-49086,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c(F)c2)s1,GRSWHTGFGVVNOH-UHFFFAOYSA-N,3,1,0.489,4,712,471.88,4.524,5,0.372,0.62,1.0,0.6895175107943252,0.7852528956205881,0.6777551230210404,0.7118686176410116,0.7160985367692413
EOS-3-49087,Clc1cnc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c(Cl)c1,JONAKXSBZQAJEJ-UHFFFAOYSA-N,3,1,0.449,87,307,464.316,4.572,5,0.364,0.56,1.0,0.7291995065451305,0.7509423617298334,0.6057758207113975,0.7060773764649442,0.6979987663628264
EOS-3-49088,Cc1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4OCc4cccc(F)c4F)n23)cn1,PEDUHZGNLITWPG-UHFFFAOYSA-N,3,1,0.365,57,533,463.875,5.672,5,0.336,0.78,0.999,0.6011753820848468,0.7637413474059351,0.9677198272907956,0.964541498183812,0.8242945137413474
EOS-3-49089,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5C)n34)cn2)n(C)c1C,PQQCWRXSHJTMQI-UHFFFAOYSA-N,3,1,0.521,65,981,474.956,4.182,5,0.364,0.62,1.0,0.5558734836543074,0.5322459050099376,0.17925433486395723,0.1612209581248715,0.3571486704132685
EOS-3-49090,FCc1nc(COc2cncc3nnc(-c4cc(-c5ncccc5F)ccc4F)n23)ccc1F,MOFHIDBGAPJASJ-UHFFFAOYSA-N,3,1,0.478,34,146,466.398,4.714,5,0.337,0.66,1.0,0.7731820985539031,0.8212596806250428,0.8849461997121513,0.8855887190734014,0.8412441744911247
EOS-3-49091,Cc1ccc(-c2nnc3cncc(OCc4scnc4-c4ccc(C)cn4)n23)cc1,OWWUYSSUUJZGGH-UHFFFAOYSA-N,3,1,0.562,89,805,414.494,4.506,5,0.421,0.67,1.0,0.6236549928037831,0.45121136316907684,0.3145346446439586,0.27586354602152013,0.41631613665958467
EOS-3-49092,Cc1ncc(-c2nnc3cncc(-c4nc(-c5ccccc5)cs4)n23)c(-c2ccc(F)cc2)n1,PXPOQMOSHUOEKJ-UHFFFAOYSA-N,3,1,0.342,30,93,465.517,5.486,6,0.343,0.78,1.0,0.19325269001439244,0.40167740387910356,0.45078301692824346,0.5450877253101227,0.39770020903296555
EOS-3-49093,CCn1nncc1-c1ccc(-c2cncc3nnc(-c4nc(C)ncc4-c4cccc(F)c4)n23)nc1,IEEHTYHOMQIWLM-UHFFFAOYSA-N,3,1,0.281,70,968,478.495,4.036,6,0.365,0.59,0.987,0.13265883078610102,0.1897231169899253,0.21661469398944555,0.2726595161400864,0.20291403947638958
EOS-3-49094,Clc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cnn2)c1,YMOJXAOETJNOLA-UHFFFAOYSA-N,3,1,0.438,87,778,465.304,3.967,5,0.347,0.52,0.999,0.6588993214995545,0.709872524158728,0.517202385031869,0.6314765951614009,0.6293627064628882
EOS-3-49095,Cc1nc(-c2ccnc(F)c2)c(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)n1C,XTCMMUTYOLJDGR-UHFFFAOYSA-N,3,1,0.372,22,844,454.296,5.008,5,0.359,0.66,0.993,0.2509337948050168,0.47327119457199646,0.7070283051195942,0.8245493797546433,0.5639456685628127
EOS-3-49096,Fc1cc(COc2cncc3nnc(-c4cncc(-c5nnc(Cl)s5)c4)n23)cnc1Cl,XWHXSSRHWAEYAW-UHFFFAOYSA-N,3,1,0.449,2,875,475.296,4.125,5,0.35,0.65,1.0,0.6652645466383387,0.6268761565348503,0.567464532931259,0.6403604961962854,0.6249914330751833
EOS-3-49097,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n1,SPRSDDNFQANUCM-UHFFFAOYSA-N,3,1,0.5,35,76,413.416,3.404,5,0.394,0.62,1.0,0.8068244123089576,0.7145072304845452,0.5573127270235076,0.5382256185319718,0.6542174970872456
EOS-3-49098,COCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ncn2)ncn1,JVLMAZHGVPQACD-UHFFFAOYSA-N,3,1,0.412,31,194,475.9,2.855,5,0.309,0.61,1.0,0.42800356384072374,0.31539990405044205,0.26295319032280173,0.23745802206839833,0.3109536700705915
EOS-3-49099,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc(C(F)(F)F)n2)cn1,WRMIOQUREOBWLU-UHFFFAOYSA-N,3,1,0.549,27,51,486.845,4.233,5,0.367,0.75,1.0,0.662266122952505,0.8674525392365157,0.8905232677678021,0.8101997806867247,0.8076104276608869
EOS-3-49100,Cn1nc(-c2nnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)s2)nc1Cl,WVJZGEQLTKHTIY-UHFFFAOYSA-N,3,1,0.433,36,185,461.298,2.719,5,0.364,0.51,1.0,0.3417860324857789,0.5510074703584401,0.01302172572133507,0.04543896922760606,0.23781354944829003
EOS-3-49101,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc(-c2cc(F)cc(F)c2)n1,GZBDYUJCEMBFDS-UHFFFAOYSA-N,3,1,0.511,37,132,479.878,4.505,5,0.354,0.66,1.0,0.7731906654787197,0.8428140634637791,0.7120999246110616,0.7565536974847509,0.7711645877595779
EOS-3-49102,Cn1c(-c2ccc(Cl)nn2)nnc1-c1cncc2nnc(-c3nccnc3-c3cccc(F)c3)n12,FCPQTILRKJCCHR-UHFFFAOYSA-N,3,1,0.326,39,854,485.874,3.293,6,0.369,0.65,0.241,0.15972174628195462,0.30007367555342335,0.09008978137207868,0.24324926324446577,0.1982836166129806
EOS-3-49103,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)cs2)cn1,OONSOXCTYMZLMM-UHFFFAOYSA-N,3,1,0.511,28,297,483.492,3.88,6,0.348,0.71,1.0,0.4945600027414159,0.6133147145500651,0.22733191693509697,0.22534439037763004,0.390137756151052
EOS-3-49104,CC(C)(C)c1cc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)ccn1,PMDGIYQTFCYDAP-UHFFFAOYSA-N,3,1,0.5,72,22,471.952,5.173,5,0.349,0.75,1.0,0.7959272839421562,0.7423326022890823,0.6885066136659584,0.49497978205743265,0.6804365704886575
EOS-3-49105,Cc1ccc(-c2nnc3cncc(OCc4ccc(NC(=O)Nc5cc(F)ccc5F)cn4)n23)cn1,APPMUQHIOGWFNJ-UHFFFAOYSA-N,3,1,0.484,4,92,488.458,4.391,5,0.364,0.83,1.0,0.46496984442464534,0.40625214173120416,0.6026488931533137,0.42676992666712354,0.4751602014940717
EOS-3-49106,CONC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(C)nn5)ncc4F)n23)cc1,VGXNLEHLCHUKGP-UHFFFAOYSA-N,3,1,0.463,89,731,487.455,2.356,5,0.34,0.7,1.0,0.6589078884243712,0.3491450209032966,0.27427866493043657,0.15852237680762113,0.36021348776643136
EOS-3-49107,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6csnn6)s5)n34)cn2)ccn1,GCSGXZCEUZYKME-UHFFFAOYSA-N,3,1,0.302,76,653,458.507,4.634,6,0.355,0.58,0.997,0.08370742238366116,0.25881536563635116,0.44723631005414294,0.4949883489822493,0.32118686176410116
EOS-3-49108,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(C#N)cn5)n34)nc2)n[nH]1,VZSMVFCZBPSQKZ-UHFFFAOYSA-N,3,1,0.389,7,535,410.401,2.125,5,0.46,0.64,0.998,0.430239531217874,0.41110958810225484,0.2202470701117127,0.1635854293742718,0.30629540470152833
EOS-3-49109,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)c(Cl)c2)cs1,KBKSJAZPLWBQLG-UHFFFAOYSA-N,3,1,0.628,4,92,439.953,5.517,5,0.361,0.77,1.0,0.5838701939551778,0.7852614625454047,0.5866201768213282,0.6015780275512302,0.6393324652182852
EOS-3-49110,COc1cc(-c2nnc(C)s2)ccc1-c1nnc2cncc(Oc3c(F)ccc(F)c3F)n12,BAUFMOUHWGGESC-UHFFFAOYSA-N,3,1,0.415,13,209,470.436,4.836,5,0.34,0.68,1.0,0.723048454526763,0.7329261188403811,0.7888510040435885,0.7060859433897608,0.7377278802001234
EOS-3-49111,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)ncn2)n1,YLFQOUNALLVGNV-UHFFFAOYSA-N,3,1,0.347,31,296,414.433,1.968,5,0.425,0.54,0.425,0.19602837365499282,0.052660886848057024,0.0432458364745391,0.020809060379686106,0.07818603933931877
EOS-3-49112,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)ncn2)nn1,FCNGIVQUDGGMQS-UHFFFAOYSA-N,3,1,0.394,31,194,412.417,1.758,5,0.406,0.59,0.537,0.5405386882324721,0.24388321568089918,0.06730176135974231,0.054716948804057294,0.22661015351929273
EOS-3-49113,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5cccc(C#N)n5)n34)c2)o1,GWFZIDVHDXKMBG-UHFFFAOYSA-N,3,1,0.347,14,351,409.409,3.6,5,0.432,0.71,1.0,0.45570899869782744,0.3966400520869029,0.5135100404358851,0.3921595504077856,0.43950466040710023
EOS-3-49114,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1ncccc1F,MHVBDXJFWQDIIX-UHFFFAOYSA-N,3,1,0.617,13,209,465.847,5.586,5,0.337,0.76,1.0,0.9703070385854293,0.9217668425741896,0.9530361181550271,0.9444349256390926,0.9473862312384347
EOS-3-49115,Fc1cnc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,HYGXDIAXJRWFIZ-UHFFFAOYSA-N,3,1,0.462,81,120,483.492,3.88,6,0.348,0.74,1.0,0.6681858680008225,0.6612466588993215,0.23816907682818175,0.24325783016928243,0.45271485847440207
EOS-3-49116,Fc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)n2)c(F)n1,MNRWPNSWCXEJOX-UHFFFAOYSA-N,3,1,0.478,27,343,467.386,4.438,5,0.269,0.74,1.0,0.8579689534644644,0.8759851963539168,0.9320385854293742,0.9062178740319375,0.8930526523199231
EOS-3-49117,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5nc(F)ccc5F)n4)n23)ccc1Cl,WFZGSIZGJPYQBE-UHFFFAOYSA-N,3,1,0.484,34,268,464.863,5.067,5,0.338,0.67,0.997,0.860247755465698,0.9289716263450072,0.8734750873826331,0.8770646288808169,0.8849397745185389
EOS-3-49118,Cn1ccnc1-c1cnnc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)c1,LSCMWCXXNNWXLA-UHFFFAOYSA-N,3,1,0.379,92,65,421.371,2.234,5,0.398,0.47,1.0,0.47483894181344666,0.39664861901171955,0.41781749023370574,0.39509800561990266,0.42110076416969366
EOS-3-49119,COc1nc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)ccc1-c1noc(C)n1,NDLGYCGNIYRNMT-UHFFFAOYSA-N,3,1,0.424,31,896,462.445,3.017,5,0.356,0.53,0.999,0.5781817558769105,0.4062607086560208,0.11241518744431499,0.06071379617572476,0.2893928620382427
EOS-3-49120,FCc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cnn2)c1,FWHSCPHZGYROPT-UHFFFAOYSA-N,3,1,0.437,87,778,462.876,3.783,5,0.336,0.52,0.997,0.6527911041052704,0.6903742032759921,0.5065108628606675,0.535150092522788,0.5962065656911795
EOS-3-49121,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCc5ccnc(C(F)F)n5)n34)nc2)s1,AABKQNBZSWNPQJ-UHFFFAOYSA-N,3,1,0.415,7,690,466.477,4.233,5,0.366,0.57,0.998,0.43928620382427525,0.46453293125899525,0.24517682132821603,0.15063223905147008,0.3249070488657391
EOS-3-49122,c1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cc1,ZPMRFRQSNHDGGI-UHFFFAOYSA-N,3,1,0.379,69,30,438.541,5.705,6,0.353,0.75,1.0,0.11336611609896512,0.16843430882050578,0.49245253923651566,0.5644404084709752,0.33467334315674047
EOS-3-49123,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c(F)c2)cc1=O,SHGOSGSEGRAZKE-UHFFFAOYSA-N,3,1,0.457,16,605,481.85,3.458,5,0.354,0.64,1.0,0.635057569734768,0.6084487012541978,0.8192293194434925,0.8147402508395586,0.7193689603180042
EOS-3-49124,COc1cc(-c2nnc3cncc(OCc4ccc(-n5ccnc5)cn4)n23)ccc1-c1cn(C)cn1,WIEMHLPQJNIQGN-UHFFFAOYSA-N,3,1,0.47,40,248,479.504,3.36,6,0.343,0.6,1.0,0.3246007813035433,0.22343396614351313,0.4579278322253444,0.27890480433143716,0.32121684600095946
EOS-3-49125,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c(F)c2)s1,UENJZOCSRWWNBG-UHFFFAOYSA-N,3,1,0.484,11,639,468.905,3.531,5,0.368,0.61,1.0,0.7076622575560277,0.6805393735864574,0.40362209581248715,0.4391576999520252,0.5577453567267494
EOS-3-49126,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,RACRVECOMRAXNF-UHFFFAOYSA-N,3,1,0.489,87,710,466.914,3.383,5,0.333,0.57,1.0,0.6468542252073196,0.6366938523747515,0.12658488109108354,0.10481632513193065,0.37873732095127133
EOS-3-49127,CCc1cnc(COc2cncc3nnc(-c4cnnc(-c5ccc(Cl)nc5)c4)n23)cn1,DDAVYDQXQZEFEM-UHFFFAOYSA-N,3,1,0.411,92,875,445.874,3.228,5,0.363,0.45,0.998,0.45338736207251046,0.5794582276745939,0.24518538825303268,0.24887773284901651,0.38172717771228837
EOS-3-49128,Cc1cnc(Cl)c(-c2nnc3cncc(-c4cccc(-c5cccc(F)c5)n4)n23)c1,BVTIVBHPRDZUCJ-UHFFFAOYSA-N,3,1,0.375,96,140,416.847,5.016,5,0.386,0.7,1.0,0.2509423617298335,0.4470050030840929,0.7910441367966554,0.8566153793434309,0.5864017202385032
EOS-3-49129,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)cc1Cl,QIZSQURGGLPDBG-UHFFFAOYSA-N,3,1,0.57,13,995,453.264,5.487,5,0.358,0.69,1.0,0.8735778904804331,0.8393615927626619,0.9412394626824755,0.9621084915358783,0.9040718593653622
EOS-3-49130,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4-n4cccn4)n23)cc1,ZSGMWNGVMPOGJJ-UHFFFAOYSA-N,3,1,0.495,40,247,484.47,4.235,6,0.352,0.77,1.0,0.5097063258172846,0.40626927558083753,0.7756665067507368,0.7332259612089644,0.6062170173394559
EOS-3-49131,Cc1ccncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cnn(C)c5)c4)n23)cc1,ULNDZZWOYLPHQL-UHFFFAOYSA-N,3,1,0.506,77,190,473.54,5.141,6,0.333,0.74,1.0,0.46014666575286134,0.28468747858268795,0.7826828181755877,0.6866561579055582,0.5535432801041738
EOS-3-49132,COc1nc(-c2cncn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccnn4C)c(F)c3)n12,SGEPRFCLVAGMRQ-UHFFFAOYSA-N,3,1,0.298,98,314,481.495,3.802,6,0.369,0.6,1.0,0.37644781029401686,0.3634346514974985,0.49575937221574945,0.37950620245356725,0.40378700911520804
EOS-3-49133,Cc1nc(-c2nnc3cncc(OCc4nc(F)ccc4Cl)n23)ccc1-c1nccs1,INKRISPUAHNAEL-UHFFFAOYSA-N,3,1,0.404,46,122,453.89,4.385,5,0.364,0.59,0.993,0.5838787608799945,0.6805479405112741,0.3854345144267014,0.429905421150024,0.5199416592419984
EOS-3-49134,FC(F)c1ccc(-c2nnc3cncc(-c4scnc4-c4cccc(Cl)c4)n23)nc1,CPYWBYGJBPAEDQ-UHFFFAOYSA-N,3,1,0.333,96,315,440.866,5.568,5,0.365,0.72,0.999,0.15441025289562058,0.42025906380645606,0.884954766636968,0.9216212048523063,0.5953113220478378
EOS-3-49135,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncn6C)cc5F)n34)s2)s1,YLHSGGVWYNZQSK-UHFFFAOYSA-N,3,1,0.275,76,424,474.55,4.886,6,0.362,0.65,0.962,0.14897025563703653,0.24885203207456652,0.2998166678089233,0.3407151668836954,0.25958853060105547
EOS-3-49136,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4cncc(-c5ncc(O)cn5)c4)n23)n1,LJUIWUWJLVUEJY-UHFFFAOYSA-N,3,1,0.412,80,843,480.452,1.513,6,0.365,0.58,1.0,0.22641525597971351,0.12022822287711603,0.03616098965115482,0.02776540333082037,0.1026424679597012
EOS-3-49137,Cc1ccc(CCOc2cncc3nnc(-c4c[nH]c(=O)c(-c5ncc(F)cn5)c4)n23)c(Cl)n1,RTCZVEGNFWSSBA-UHFFFAOYSA-N,3,1,0.455,65,262,478.875,3.054,5,0.369,0.59,1.0,0.5484116921389898,0.43824103899664174,0.38544308135151806,0.407494345829621,0.4448975395791926
EOS-3-49138,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(CO)c(F)c4)n23)nc1,NSCFDRSIGYZTET-UHFFFAOYSA-N,3,1,0.322,63,999,404.405,2.377,5,0.529,0.86,1.0,0.34879377698581315,0.24886059899938318,0.35534747447056403,0.4235144952367898,0.34412908642313755
EOS-3-49139,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncc(Cl)cc5F)n4)n23)cc1,HRQCHYUUGCWJRX-UHFFFAOYSA-N,3,1,0.446,89,731,490.886,3.374,5,0.384,0.76,1.0,0.632067712973751,0.5186330614762524,0.45455246384757725,0.40130045918717017,0.5016384243711877
EOS-3-49140,Cc1cc(-c2cc(-c3cncc4nnc(-c5nc(C)c(C)nc5C)n34)ncn2)cnn1,RNBFNXDKBRYNIU-UHFFFAOYSA-N,3,1,0.212,50,974,410.445,2.729,5,0.442,0.6,0.23,0.11337468302378179,0.035132958673154684,0.024261531080803235,0.014692276060585293,0.04686536220958125
EOS-3-49141,Cc1csc(-c2nsc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)n2)c1,FWPYNGMJMSZVLG-UHFFFAOYSA-N,3,1,0.347,42,106,454.544,4.804,6,0.377,0.63,1.0,0.056627373038174215,0.11394866698649853,0.08518093345212803,0.12954903707765061,0.09632650263861284
EOS-3-49142,Fc1cc(-c2nnc3cncc(-c4cnnc(-c5ccnc(C(F)(F)F)n5)n4)n23)cc(F)n1,IUORJZWDLVMAGB-UHFFFAOYSA-N,3,1,0.296,50,243,458.314,2.792,5,0.297,0.52,0.971,0.3624494551435817,0.46004386265506136,0.7302618052223974,0.643101912137619,0.5489642587896648
EOS-3-49143,CCc1nc2ccc(Cc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)cc2nc1CC,XSMUGWCUSDFAIF-UHFFFAOYSA-N,3,1,0.36,14,81,442.954,5.412,5,0.364,0.7,1.0,0.40296244260160374,0.46888492906586254,0.34377355904324586,0.42677849359194026,0.4105998560756631
EOS-3-49144,CCc1cnc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(CC)n4)n23)cn1,JZQWIAIIVQLJIH-UHFFFAOYSA-N,3,1,0.389,7,690,473.928,3.791,5,0.348,0.56,0.976,0.5304554177232541,0.5462356932355562,0.06731032828455898,0.06527996710300871,0.30232035158659454
EOS-3-49145,COc1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)cc1-c1nncc(C)n1,LEFBPVRTFZBWKD-UHFFFAOYSA-N,3,1,0.469,16,772,478.875,3.727,5,0.337,0.6,1.0,0.8198718388047427,0.7594835857720512,0.5741467342882599,0.4918357206497156,0.6613344698786923
EOS-3-49146,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnc5F)cn4)n23)cc1,SXKIIYHEUYCXHF-UHFFFAOYSA-N,3,1,0.4,14,886,410.456,4.481,5,0.4,0.8,1.0,0.4463453498732095,0.5553337673908574,0.6694966074977726,0.6572030703858543,0.5820946987869234
EOS-3-49147,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)cc3Cl)n12,OMCBPFGEEMMGJE-UHFFFAOYSA-N,3,1,0.701,57,222,462.34,5.782,5,0.32,0.81,1.0,0.8775700774450004,0.9491724350627099,0.9162069083681722,0.9467908299636763,0.9224350627098896
EOS-3-49148,COc1nc(-c2nnc3cncc(OCCc4nc(F)ccc4F)n23)ccc1-c1ncccc1C,MOAYIXJYKGXQRF-UHFFFAOYSA-N,3,1,0.426,49,501,475.459,3.86,5,0.327,0.62,0.837,0.7167774655609622,0.6181378932218491,0.3926735658967857,0.31552840792269204,0.5107793331505722
EOS-3-49149,CN(C(=O)c1ccc2ncc(Cc3cncc4nnc(-c5ccccc5)n34)nn12)c1cncc(F)c1,ZUIFVLNOHWQWFC-UHFFFAOYSA-N,3,1,0.364,14,81,479.479,3.236,6,0.374,0.54,0.992,0.0515214858474402,0.1529967103008704,0.14747104379411966,0.1689911589335892,0.13024509971900486
EOS-3-49150,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)n5)cnc4F)n23)nc1,ANAMZELSEVYPIU-UHFFFAOYSA-N,3,1,0.373,46,62,477.847,2.509,5,0.287,0.66,0.644,0.7012884654924268,0.4512199300938935,0.3816736344321842,0.32161949146734287,0.46395038037146186
EOS-3-49151,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4F)n23)c(F)cn1,CEKAJXDIIWGYAL-UHFFFAOYSA-N,3,1,0.451,59,89,453.359,3.779,5,0.296,0.6,1.0,0.8851860736070181,0.8812795558906175,0.8693458296209993,0.8632204783770817,0.8747579843739292
EOS-3-49152,Cn1nccc1-c1cnnc(COc2cncc3nnc(-c4ccc(-c5ccccc5F)cn4)n23)c1,XTKHOULJRSHAQQ-UHFFFAOYSA-N,3,1,0.394,81,218,479.479,3.762,6,0.355,0.6,1.0,0.39226235350558564,0.4111181550270715,0.5135186073607018,0.4980381742169831,0.45373432252758544
EOS-3-49153,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)s2)n(C)n1,DVYCCRAXPLZIRG-UHFFFAOYSA-N,3,1,0.311,38,193,470.587,5.056,6,0.358,0.67,1.0,0.06188746487560825,0.11113871564663148,0.10188643684463025,0.09865670618874649,0.09339233088890413
EOS-3-49154,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)o1)N1CCc2cc(F)ccc2O1,SGXPTBNWIFXINA-UHFFFAOYSA-N,3,1,0.366,62,586,475.867,4.836,6,0.371,0.74,1.0,0.47989342745528063,0.5462442601603729,0.5508446987869234,0.6660355698718388,0.560754489068604
EOS-3-49155,Fc1ncccc1-c1cccc(-c2cncc3nnc(-c4cnc(-c5ccccn5)s4)n23)c1,UTWLIWBEYXPHLS-UHFFFAOYSA-N,3,1,0.313,32,20,451.49,5.178,6,0.344,0.65,1.0,0.19603694057980947,0.32504626139401,0.5604824892056748,0.6255054485641834,0.4267677849359194
EOS-3-49156,c1ncc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)s2)nn1,OARYNQKILJITEV-UHFFFAOYSA-N,3,1,0.361,53,826,477.56,3.864,6,0.352,0.64,1.0,0.2264238229045302,0.1726920704543897,0.02987286683572065,0.04806901514632308,0.1192644438352409
EOS-3-49157,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)nc1CF,DLYOEZMLCNEQGG-UHFFFAOYSA-N,3,1,0.406,31,578,462.464,3.695,5,0.325,0.56,0.995,0.5304639846480708,0.4016859708039202,0.370176821328216,0.3216280583921596,0.4059887087930916
EOS-3-49158,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1nccs1,VMHJQAISHNPEAZ-UHFFFAOYSA-N,3,1,0.5,13,209,453.886,5.508,5,0.349,0.75,1.0,0.8691916249742992,0.8325080529093277,0.8547563566582139,0.822596120896443,0.844763038859571
EOS-3-49159,Clc1ccc(-c2nsc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)cn1,GVWGQIPSQSQZMJ-UHFFFAOYSA-N,3,1,0.321,38,983,458.894,4.68,6,0.35,0.61,1.0,0.2587553971626345,0.36847200328969915,0.29982523473373995,0.39819923240353644,0.3313129668974025
EOS-3-49160,Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccc4F)n23)n1,KRWRWTBDOVLUHZ-UHFFFAOYSA-N,3,1,0.518,79,347,411.44,4.88,5,0.412,0.84,1.0,0.734939346172298,0.7281029401685971,0.8018384620656569,0.7857669111095881,0.762661914879035
EOS-3-49161,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6nnnn6C)nn5)n34)cc2)[nH]c(=N)n1,MFFBFMYXFVRRBN-UHFFFAOYSA-N,3,1,0.274,98,866,465.445,0.407,6,0.366,0.6,0.984,0.03963059420190528,0.05640463299294085,0.006313823589884175,0.003178329106983757,0.02638184497292852
EOS-3-49162,Cn1cc(-c2cc(-c3cncc4nnc(-c5ccc(C(F)(F)c6ccccc6)cc5)n34)ncn2)cn1,VFVREVZHPQQZPP-UHFFFAOYSA-N,3,1,0.333,30,298,480.482,4.789,6,0.353,0.69,0.999,0.18481426906997464,0.22851415255979712,0.9573795490370777,0.9237115345075732,0.5736048762936057
EOS-3-49163,Cc1nc(-c2ccc(F)c(-c3nnc4cncc(-c5nnc(-c6cc(F)cc(F)c6)[nH]5)n34)c2)c[nH]1,DOIVKMWYYKVXHT-UHFFFAOYSA-N,3,1,0.307,45,730,473.422,4.359,6,0.393,0.58,0.989,0.2990456445754232,0.45572613254746075,0.7756750736755534,0.8168562812692756,0.5868257830169282
EOS-3-49164,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)c(F)c2)nn1,DSOJPCLMEKAYQH-UHFFFAOYSA-N,3,1,0.488,16,256,408.422,2.761,5,0.441,0.72,1.0,0.4557175656226441,0.4911675005140155,0.3145432115687753,0.2997652662600233,0.39029838599136457
EOS-3-49165,Cc1ncc(CCOc2cncc3nnc(-c4cnnc(-c5ccccc5)c4)n23)cn1,GCKXUQXIFFTOHY-UHFFFAOYSA-N,3,1,0.538,15,778,410.441,2.968,5,0.421,0.64,0.999,0.7199900623672126,0.47788020012336374,0.2062744157357275,0.1937410047289425,0.3994714207388116
EOS-3-49166,CCn1cncc1-c1cccc(-c2nnc3cncc(COc4cc(Cl)cn5nccc45)n23)c1,PJQRLIZZQJXWTF-UHFFFAOYSA-N,3,1,0.33,14,351,470.924,4.555,6,0.355,0.61,1.0,0.3580289219381811,0.38729353711191833,0.5573212939483243,0.5708913028579261,0.4683837639640875
EOS-3-49167,Cn1c(-c2cc(F)cc(F)c2F)nnc1-c1cncc2nnc(-c3ccc(C(F)F)cc3)n12,LRTUZGFLOVMQCD-UHFFFAOYSA-N,3,1,0.358,22,311,457.366,4.609,5,0.291,0.69,0.868,0.3764563772188335,0.555342334315674,0.9405369748475088,0.9534044959221438,0.70643504557604
EOS-3-49168,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)c(Cl)n1,TYUVXAKIMIJZRG-UHFFFAOYSA-N,3,1,0.56,4,338,468.279,4.668,5,0.346,0.61,1.0,0.6236635597285998,0.8251833321910766,0.7826913851004044,0.8407323007333287,0.7680676444383523
EOS-3-49169,Cc1cnc(-c2nc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)ccc2F)cn1,GKHPZHWYVWIGDR-UHFFFAOYSA-N,3,1,0.37,31,814,481.854,3.295,5,0.36,0.58,0.98,0.6805907751353574,0.6562178740319375,0.3070899869782743,0.3762764717976835,0.5050437769858132
EOS-3-49170,Fc1cc(F)cc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nc2)c1,ABKFRUVTZHDBDD-UHFFFAOYSA-N,3,1,0.476,57,236,453.811,5.716,5,0.348,0.75,1.0,0.9507059146048934,0.9709581248714961,0.9842711260365979,0.9888287300390651,0.9736909738880132
EOS-3-49171,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)o1,ADCSTPMMHOMUIZ-UHFFFAOYSA-N,3,1,0.271,10,37,409.413,3.033,6,0.441,0.7,0.864,0.0005825508875334111,0.0003341100678500445,0.13541738057706806,0.1557638270166541,0.0730244671372764
EOS-3-49172,FC(F)Oc1ncccc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccn1,GRUIKQHLAXIGBC-UHFFFAOYSA-N,3,1,0.452,51,196,482.838,3.872,5,0.341,0.68,1.0,0.7471557809608663,0.8251918991158934,0.6617092728394216,0.6169299568226989,0.7127467274347201
EOS-3-49173,Fc1cncc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cnsc5)c4)n23)c1,UHUCSKNXDNGPDA-UHFFFAOYSA-N,3,1,0.523,35,76,453.89,4.119,5,0.357,0.52,1.0,0.7230570214515798,0.7934600095949558,0.6086200397505311,0.6545987252415872,0.6949339490096634
EOS-3-49174,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)n23)nc1,DGLRNKSCWIZDNE-UHFFFAOYSA-N,3,1,0.459,3,791,492.478,3.435,6,0.388,0.85,1.0,0.06360084983894182,0.1855167569049414,0.3255602768830101,0.30944589130285793,0.2210309437324378
EOS-3-49175,CCn1cncc1-c1cccc(-c2nnc3cncc(COCc4ccc(Cl)cc4F)n23)c1,YBXYHGRUMRWCLC-UHFFFAOYSA-N,3,1,0.447,14,189,462.916,5.184,5,0.333,0.67,1.0,0.4486155849496265,0.4732797614968131,0.8592625591117813,0.8533171132890138,0.6586187547118088
EOS-3-49176,COc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)cnn2)nc1,MCUUWLOBGUHVHQ-UHFFFAOYSA-N,3,1,0.375,53,52,482.386,2.435,5,0.352,0.6,0.929,0.7292080734699472,0.5988109108354465,0.5638578575834419,0.3535141525597971,0.5613477486121582
EOS-3-49177,Cn1ncc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1-c1ccc(F)nc1O,QDNXFJUZYSWTSW-UHFFFAOYSA-N,3,1,0.376,50,243,438.373,3.431,5,0.429,0.5,0.711,0.26147967925433485,0.4291600986909739,0.730270372147214,0.6546072921664039,0.5188793605647317
EOS-3-49178,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5Cl)n34)ccc2F)cs1,VLNNMGZZDUAAFD-UHFFFAOYSA-N,3,1,0.506,59,89,470.892,5.129,5,0.331,0.77,1.0,0.8735864574052498,0.8920653142348023,0.870690836817216,0.8681036255225825,0.8761115584949626
EOS-3-49179,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc(Cl)c2Cl)n1,LVTZROIRKPEVMO-UHFFFAOYSA-N,3,1,0.551,35,426,478.343,4.88,5,0.344,0.67,1.0,0.8491707216777465,0.8945325885820026,0.7200928654650127,0.7489291343979165,0.8031813275306696
EOS-3-49180,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)ccc1F,JFRRJOGPZJPDHG-UHFFFAOYSA-N,3,1,0.539,90,683,403.377,1.917,4,0.52,0.82,0.999,0.5898584744020287,0.20336166129806044,0.5638664245082585,0.4738109108354465,0.4577243677609485
EOS-3-49181,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cn4)n23)c(-c2ccccc2)c1,RYHIOZBNULHOJS-UHFFFAOYSA-N,3,1,0.346,30,696,461.916,5.631,6,0.338,0.76,1.0,0.2641611267219519,0.4688934959906792,0.8265626070865603,0.8756082516619834,0.6088063703652937
EOS-3-49182,OCc1ccc(-c2nnc3cncc(Cc4cc(-c5ncc(F)cn5)cc(C(F)(F)F)c4)n23)nc1,CIZQWAWANJZYKG-UHFFFAOYSA-N,3,1,0.337,85,260,481.413,3.884,5,0.38,0.59,1.0,0.42316325131930643,0.536932012884655,0.9662377492975122,0.927737989171407,0.7135177506682202
EOS-3-49183,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)c(Cl)c4)n23)c(F)c1,LHIGEDYHDOKZAV-UHFFFAOYSA-N,3,1,0.364,93,228,482.91,5.108,6,0.347,0.8,1.0,0.25342676992666713,0.42916866561579053,0.7526728805428003,0.8499417449112466,0.5713025152491262
EOS-3-49184,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)n2)nn1,BSWWUMJHEMTAIB-UHFFFAOYSA-N,3,1,0.395,22,140,406.812,3.441,5,0.456,0.74,1.0,0.19058837639640874,0.387302104036735,0.5707028305119595,0.6718610787471729,0.455113597423069
EOS-3-49185,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)nc1)c1ccc(F)c(F)c1,WVEDEAIODXLSSG-UHFFFAOYSA-N,3,1,0.323,96,315,464.382,4.695,5,0.277,0.73,0.744,0.32713659104927695,0.5186416284010692,0.9599581934068947,0.9508172846275101,0.6891384243711878
EOS-3-49186,N#Cc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)cnc1Cl,MQEUMWYZEYPQCK-UHFFFAOYSA-N,3,1,0.357,51,924,477.275,3.191,5,0.347,0.58,0.833,0.6209221437872661,0.6367024192995683,0.46483277362757863,0.5318689603180042,0.5635815742581043
EOS-3-49187,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(C)nn5)n34)ncn2)ncn1,ZUWDYLPNASONDI-UHFFFAOYSA-N,3,1,0.376,31,395,412.417,2.024,5,0.422,0.55,0.989,0.30432287026249055,0.13414947570420122,0.0695634295113426,0.03915084641217189,0.13679665547255157
EOS-3-49188,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccs6)cc5F)n34)nc2)ccn1,NUKIIALRBKIPPK-UHFFFAOYSA-N,3,1,0.287,32,20,469.48,5.317,6,0.325,0.74,1.0,0.20150263861284354,0.3827273661846344,0.8229730655883764,0.834744020286478,0.5604867726680831
EOS-3-49189,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)no1,FPVQIDQELOPAGW-UHFFFAOYSA-N,3,1,0.354,69,867,407.393,4.163,6,0.429,0.82,1.0,0.28543280104173807,0.16447638955520527,0.5604910561304914,0.5418408608046056,0.38806027688301004
EOS-3-49190,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(C(F)(F)F)n5)c4)n23)cn1,LYUFMPNEAZDQCO-UHFFFAOYSA-N,3,1,0.355,82,336,491.437,3.345,6,0.401,0.77,0.965,0.05153005277225687,0.1942464532931259,0.4924611061613323,0.4331008841066411,0.29283462408333905
EOS-3-49191,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nnc6cnccn56)nc4)n23)cc1,SKVYCPQBNNQUML-UHFFFAOYSA-N,3,1,0.345,94,515,487.462,3.554,7,0.366,0.69,1.0,0.3067901446096909,0.35374545952984715,0.36282639983551507,0.4738194777602632,0.37429537043382904
EOS-3-49192,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5c(Cl)cccc5Cl)n34)ccn2)nc1,AHSXSFJSNCVFGE-UHFFFAOYSA-N,3,1,0.481,13,110,453.264,5.487,5,0.358,0.68,1.0,0.8349924611061613,0.8557244191624974,0.9104927695154548,0.9386351175382085,0.8849611918305805
EOS-3-49193,Cc1cc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc(-c2cnc(C)o2)n1,DASGCYXRMHABSF-UHFFFAOYSA-N,3,1,0.588,59,253,467.316,5.344,5,0.344,0.72,1.0,0.8602563223905147,0.9142022479610719,0.7756836406003701,0.7565622644095675,0.8266761188403811
EOS-3-49194,COc1ncc(-c2cccc(-c3nnc4cncc(COCc5ccc(F)c(F)c5)n34)c2)cc1F,VUAKOMWEJRFMIH-UHFFFAOYSA-N,3,1,0.622,57,358,477.446,4.996,5,0.329,0.72,1.0,0.7647351106846686,0.8252004660407101,0.9504403399355768,0.922657802755123,0.8657584298540195
EOS-3-49195,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)s4)n23)cc1,DBEWMKFCMSLNAX-UHFFFAOYSA-N,3,1,0.388,93,651,434.528,5.587,6,0.363,0.71,1.0,0.14586902885340278,0.12746727434720032,0.5995648002193132,0.6169385237475156,0.372459906791858
EOS-3-49196,O=C(c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(F)c1)N1CCC(F)(F)C1,ATSRHIHOHOHGDU-UHFFFAOYSA-N,3,1,0.484,90,12,488.857,4.039,5,0.421,0.72,0.813,0.4029710095264204,0.37793845521211705,0.5203550133644027,0.7118771845658283,0.5032854156671921
EOS-3-49197,Cc1cccc(-c2ncccc2-c2cncc3nnc(-c4cnc(-c5ccccc5)s4)n23)n1,WUIKDLDYKMPVEE-UHFFFAOYSA-N,3,1,0.295,30,93,447.527,5.347,6,0.362,0.67,0.89,0.04539613460352272,0.10798608731409773,0.29983380165855666,0.34385066136659587,0.19926667123569325
EOS-3-49198,Cc1cc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)s2)n(C)n1,VWTXMRMALDZYGF-UHFFFAOYSA-N,3,1,0.333,76,176,468.521,4.825,6,0.369,0.61,0.941,0.09572681790144609,0.20337022822287712,0.31455177849359195,0.3731324103899664,0.24669530875197038
EOS-3-49199,Clc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cn2)n1,RJURANVXVPTCQH-UHFFFAOYSA-N,3,1,0.313,42,174,468.933,5.087,6,0.332,0.68,1.0,0.16266876841888836,0.34915358782811323,0.5772565279967103,0.6169470906723322,0.426506493729011
EOS-3-49200,c1c[nH]c(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnco6)cnn5)n34)cn2)n1,YFJOYAVZNAIMDC-UHFFFAOYSA-N,3,1,0.277,86,719,408.385,2.688,6,0.467,0.66,0.426,0.09809985607566309,0.09803132067712973,0.22025563703652937,0.22870262490576382,0.16127235967377151
EOS-3-49201,Cc1nc(-c2ccnc(Cl)n2)ccc1-c1nnc2cncc(OCc3cnc(F)cc3F)n12,BFIHOTZTTQKIOO-UHFFFAOYSA-N,3,1,0.441,55,486,466.839,3.857,5,0.284,0.68,0.994,0.8692001918991159,0.8393701596874786,0.6617178397642383,0.637404907134535,0.7519232746213419
EOS-3-49202,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ncn2)ccn1,QEPQERVNMSLXAF-UHFFFAOYSA-N,3,1,0.404,18,194,466.839,3.591,5,0.35,0.5,0.844,0.7761462545404701,0.7098810910835447,0.7302789390720307,0.7565708313343842,0.7432192790076073
EOS-3-49203,c1ccc(Oc2cncc(COc3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)c2)cc1,PWGDPKGHRSTXAO-UHFFFAOYSA-N,3,1,0.442,28,363,473.496,5.015,6,0.319,0.73,1.0,0.6181550270714824,0.43824960592145845,0.6617264066890549,0.5957353848262628,0.5784666061270647
EOS-3-49204,CC(c1cncc(-c2cccnc2)c1)c1cncc2nnc(-c3ccc(-c4nccs4)cn3)n12,POMGQHACWZJDDX-UHFFFAOYSA-N,3,1,0.34,32,392,462.542,4.919,6,0.359,0.67,0.999,0.04836885751490645,0.09496436159276266,0.5741553012130766,0.49804674114179975,0.30388381536563636
EOS-3-49205,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cnn2)c1,IXTFAVUNFCYQKI-UHFFFAOYSA-N,3,1,0.467,59,772,435.369,3.64,5,0.389,0.45,1.0,0.7959358508669728,0.7893050510588719,0.8561784661777808,0.8665273113563156,0.8269866698649853
EOS-3-49206,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)n2)s1,FKCNHEYQCYZRMX-UHFFFAOYSA-N,3,1,0.48,89,398,490.524,3.292,5,0.352,0.82,1.0,0.3855630182989514,0.14907305873483653,0.082499485984511,0.04807758207113974,0.16630328627235966
EOS-3-49207,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccccc5)c4)n23)c1,OJFXGZVRQSEGPM-UHFFFAOYSA-N,3,1,0.595,57,732,463.875,5.406,5,0.315,0.75,1.0,0.9832002604345145,0.9835686382016311,0.9337005688438078,0.9515883078610102,0.9630144438352409
EOS-3-49208,Cc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cnc(C)o5)nc4F)n23)nn1,CGEFCAXCFKCVIO-UHFFFAOYSA-N,3,1,0.315,32,693,465.452,4.116,6,0.354,0.51,1.0,0.27450140497566994,0.38731067096155164,0.2702265094921527,0.25193612500856694,0.2959936776094853
EOS-3-49209,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)c(F)c2)ccn1,PLBZIOOVZQQTAW-UHFFFAOYSA-N,3,1,0.506,59,469,468.826,4.898,5,0.341,0.66,1.0,0.8375968062504283,0.9394575423206086,0.9639418134466452,0.9675399218696457,0.927134020971832
EOS-3-49210,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(Cl)c5F)n34)n2C)n1C,WFLVDDPIQFAQDV-UHFFFAOYSA-N,3,1,0.383,36,706,473.299,4.472,5,0.358,0.65,0.999,0.4533959289973271,0.6659927352477555,0.5098690973888013,0.5866544445205949,0.5539780515386197
EOS-3-49211,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cnn2)nc(F)n1,XWQGYLWUCJYWDO-UHFFFAOYSA-N,3,1,0.371,46,915,453.8,2.944,5,0.292,0.54,0.971,0.7559711465972174,0.7682732506339525,0.5028613528887671,0.5481032828455897,0.6438022582413817
EOS-3-49212,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)c2)cn1,SCENUFVGZWRNCB-UHFFFAOYSA-N,3,1,0.407,92,36,413.445,2.573,5,0.432,0.58,1.0,0.23466520457816462,0.1341580426290179,0.12959187170173395,0.06881810705229251,0.14180830649030224
EOS-3-49213,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(=O)c(F)c5F)n34)c2)cs1,ITGNXUSCKKGCAQ-UHFFFAOYSA-N,3,1,0.47,87,35,479.472,3.273,5,0.365,0.61,1.0,0.4998115276540333,0.4382581728462751,0.4822236310054143,0.44567712973750945,0.4664926153108081
EOS-3-49214,CCn1c(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n[nH]c1=O,PHTGCYYYQUXNBK-UHFFFAOYSA-N,3,1,0.311,63,108,405.422,0.574,5,0.479,0.83,0.998,0.07947536152422727,0.05266945377287369,0.001482077993283531,0.0010108971283668015,0.03365944760468782
EOS-3-49215,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5F)n34)nc2)cs1,YWSAUTKAUAMDBF-UHFFFAOYSA-N,3,1,0.415,46,223,471.88,4.524,5,0.348,0.65,1.0,0.7199986292920293,0.6612552258241382,0.7201014323898294,0.692361729833459,0.6984292543348639
EOS-3-49216,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)nc1Cl,BGAQJGBMGPIFRN-UHFFFAOYSA-N,3,1,0.483,24,28,476.287,3.796,5,0.348,0.61,1.0,0.6266362826399835,0.7724282091700363,0.4178260571585224,0.5015163456925502,0.5796017236652731
EOS-3-49217,Fc1cc(-c2nnc3cncc(OCc4ccnc(-c5nncs5)n4)n23)ccc1-c1ccccn1,OJTSYNJAHHWGSI-UHFFFAOYSA-N,3,1,0.527,81,218,483.492,3.88,6,0.348,0.73,1.0,0.64978411349462,0.6951374134740593,0.26674833801658554,0.29977383318483997,0.47786092454252616
EOS-3-49218,Cc1ccc(Oc2cncc3nnc(-c4cc(-c5ccnc(F)c5)c(Cl)cc4Cl)n23)nn1,SPNUPUGVWPSGJL-UHFFFAOYSA-N,3,1,0.361,13,706,468.279,5.19,5,0.335,0.72,1.0,0.6776009183743403,0.8704081282982661,0.8666215475292989,0.8869080254951682,0.8253846549242684
EOS-3-49219,COCc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncnn5)n34)nn(C)c2=O)nc1,AGKOAAAFVFKKTJ-UHFFFAOYSA-N,3,1,0.353,31,569,472.469,0.9,5,0.317,0.56,0.692,0.08604619285861147,0.000993763278733466,0.029881433760537316,0.02326776780206977,0.035047289424988005
EOS-3-49220,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccns5)cn4)n23)c(F)c1,VYJQUTBIUNBOOG-UHFFFAOYSA-N,3,1,0.305,64,449,470.468,4.712,6,0.368,0.62,0.998,0.2693698170104859,0.3587913782468645,0.5995733671441299,0.6837776711671578,0.4778780583921596
EOS-3-49221,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)cn1,CFQWKNPPYIMLIP-UHFFFAOYSA-N,3,1,0.518,65,778,411.429,2.363,5,0.415,0.61,1.0,0.5457902131450895,0.35375402645466386,0.1632170516071551,0.1318621067781509,0.29865584949626484
EOS-3-49222,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)nc4)n23)ccn1,RLOGKIVATKYHPR-UHFFFAOYSA-N,3,1,0.305,10,219,484.886,3.898,6,0.37,0.64,1.0,0.20724247824001096,0.32505482831882665,0.4857617709546981,0.607874717291481,0.4064834487012542
EOS-3-49223,Clc1ccc(CCOCc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)cn1,BHCIQUNTPOTBMQ-UHFFFAOYSA-N,3,1,0.42,14,351,448.939,4.723,5,0.265,0.76,1.0,0.34880234391062986,0.310191213761908,0.5962665341648962,0.6314851620862175,0.47168631348091283
EOS-3-49224,N#Cc1cc(-c2cccc(Cl)c2)cc(-c2nnc3cncc(OCc4ccccc4F)n23)c1,VKDUKENMTUQWHT-UHFFFAOYSA-N,3,1,0.549,57,709,455.88,5.701,5,0.339,0.77,1.0,0.952856212733877,0.967402851072579,0.9771948461380303,0.9844681653073812,0.9704805188129668
EOS-3-49225,COCc1nccc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)ncc4Cl)n23)n1,IMMHQCZEXTXXDZ-UHFFFAOYSA-N,3,1,0.442,51,775,479.863,2.951,5,0.344,0.57,1.0,0.5484202590638064,0.5988194777602632,0.22357960386539646,0.23431396066068125,0.40128332533753686
EOS-3-49226,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)nc1Cl,DPVRAUGNYNYGTR-UHFFFAOYSA-N,3,1,0.517,16,256,453.89,4.385,5,0.39,0.52,1.0,0.8278390788842437,0.7553800287848674,0.5237989171407031,0.5547854842025907,0.6654508772531013
EOS-3-49227,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)c(F)n4)n23)cc(F)n1,CWYPVJFHVXJDAG-UHFFFAOYSA-N,3,1,0.433,46,223,453.359,3.779,5,0.296,0.6,1.0,0.8602648893153314,0.7852700294702214,0.8607617709546981,0.8516551298745803,0.8394879549037078
EOS-3-49228,Fc1ccc(Oc2cc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)n5)n34)ccn2)cc1,JNCNIPWHTSTKJZ-UHFFFAOYSA-N,3,1,0.5,27,679,483.385,4.506,5,0.326,0.76,0.999,0.7874888629977383,0.8557329860873141,0.9096103762593379,0.7972637242135563,0.8375239873894867
EOS-3-49229,FC(F)c1ccc(-c2nnc3cncc(CCCCOc4ccc(-c5cccnn5)cn4)n23)cn1,XKQKCPXCBPDXOQ-UHFFFAOYSA-N,3,1,0.356,85,290,474.475,4.378,5,0.29,0.71,1.0,0.45340449592214377,0.5648173531629086,0.41394524021657186,0.3795147693783839,0.452920464670002
EOS-3-49230,CCc1nc(-c2nnc3cncc(OCc4cc(C)nc(C)c4F)n23)ccc1-c1nc(C)no1,MPTKZHBXDSZGPO-UHFFFAOYSA-N,3,1,0.384,31,690,460.473,3.837,5,0.372,0.55,1.0,0.45572613254746075,0.4157271605784388,0.11544787882941539,0.0669847851415256,0.26347148927421016
EOS-3-49231,Cc1cc(F)c(-c2cc(-c3cncc4nnc(-c5cc(Cl)ccc5Cl)n34)sn2)nn1,CQPMBIJEZXPFLZ-UHFFFAOYSA-N,3,1,0.317,45,844,458.309,5.126,5,0.373,0.67,0.941,0.17337742443972312,0.460052429579878,0.6292063600849839,0.8037745870742239,0.5166027002947022
EOS-3-49232,Cc1noc(-c2cnc(-c3cncc4nnc(-c5cnc(-c6cccc(Cl)c6)s5)n34)nn2)n1,MWCWKVXUNYBIEZ-UHFFFAOYSA-N,3,1,0.349,10,72,474.897,3.779,6,0.371,0.54,1.0,0.1597303132067713,0.305059625796724,0.04174662463162223,0.10925399218696456,0.15394763895552052
EOS-3-49233,COC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccnc(F)c5)nc(C)n4C)n23)c(F)c1,DPQNDWUCVAGCCU-UHFFFAOYSA-N,3,1,0.317,74,155,461.432,3.627,5,0.298,0.63,0.901,0.21254540470152833,0.3050681927215407,0.43624494551435816,0.36000788157083136,0.32846660612706463
EOS-3-49234,FCc1cccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)c1,DHRVYGLYKLYPML-UHFFFAOYSA-N,3,1,0.484,97,183,464.863,5.089,5,0.326,0.69,1.0,0.920079158385306,0.8212682475498595,0.9199163868137893,0.9107497772599548,0.8930033925022274
EOS-3-49235,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)nc2F)n1,ZKHKETSEHAISCG-UHFFFAOYSA-N,3,1,0.392,31,814,465.399,2.781,5,0.349,0.48,0.887,0.7106264135425947,0.6805565074360908,0.3330820368720444,0.3634260845726818,0.521922760605853
EOS-3-49236,COc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3cc(F)c(Cl)nn3)n12,QSZLJEYIGXRDHM-UHFFFAOYSA-N,3,1,0.429,65,456,479.863,2.856,5,0.344,0.56,1.0,0.7044924953738606,0.6562264409567542,0.20260777191419369,0.20217942567336028,0.44137653347954214
EOS-3-49237,COc1cc(F)c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)c(F)c1,SOCHHWARTWGCEI-UHFFFAOYSA-N,3,1,0.536,34,929,480.862,4.768,5,0.346,0.72,1.0,0.9602409019258447,0.9770149407168802,0.9105013364402714,0.8936244945514358,0.935345418408608
EOS-3-49238,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)s1,DOTRJJYWKQRGDD-UHFFFAOYSA-N,3,1,0.55,75,183,410.459,4.089,5,0.434,0.73,1.0,0.5809231718182442,0.6084572681790145,0.47866835720649714,0.45833904461654446,0.531596960455075
EOS-3-49239,Fc1cc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)ccc1Cl,BTORSAWAOHXAGP-UHFFFAOYSA-N,3,1,0.55,57,236,452.276,6.092,5,0.33,0.89,1.0,0.830049345486944,0.8461894318415462,0.9670344733054622,0.9827376464944144,0.9065027242820918
EOS-3-49240,Fc1ccc(F)c(-c2ccc(-c3cncc4nnc(-c5cc(F)ccc5Cl)n34)nc2)c1,FMLLECRMHXPKTD-UHFFFAOYSA-N,3,1,0.386,45,533,437.812,5.591,5,0.369,0.68,1.0,0.40084641217188677,0.6707645123706394,0.9842796929614146,0.9936176410115825,0.7623770646288809
EOS-3-49241,NC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ncc[nH]4)n23)cc1,IPYBJFULUQJVOV-UHFFFAOYSA-N,3,1,0.489,89,731,413.401,1.649,5,0.426,0.6,0.756,0.464978411349462,0.22344253306832979,0.09009834829689535,0.0507504626139401,0.2073174388321568
EOS-3-49242,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(CF)n4)n23)ccc1-c1ncccc1F,NGJIJPPJVNMKOL-UHFFFAOYSA-N,3,1,0.429,49,501,479.422,3.979,5,0.346,0.65,0.989,0.5838873278048112,0.6317935713796176,0.5338222191762045,0.4644729627852786,0.553494020286478
EOS-3-49243,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5F)n34)c2)cn1,ZNMWBDUAAOMBNC-UHFFFAOYSA-N,3,1,0.563,57,962,463.875,5.406,5,0.315,0.73,1.0,0.9293057364128572,0.9643101912137619,0.9573881159618943,0.9639760811459118,0.9537450311836063
EOS-3-49245,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(CF)nc4)n23)cc1,CLCGUJXQFPYCFK-UHFFFAOYSA-N,3,1,0.4,63,334,402.433,3.139,5,0.536,0.86,1.0,0.2454166952230827,0.09497292851757932,0.22734048385991365,0.2640497566993352,0.20794496607497776
EOS-3-49246,CCn1cncc1-c1cc(OC)cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,VTQIEDDMFGQSLE-UHFFFAOYSA-N,3,1,0.49,26,448,475.94,4.353,5,0.329,0.62,0.998,0.5585720649715578,0.4424302652319923,0.5272256870673703,0.4267870605167569,0.4887537694469193
EOS-3-49247,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6ncccn6)cn5)n34)cc2F)n1C,CZZXGRFMABTEHI-UHFFFAOYSA-N,3,1,0.375,42,318,479.479,4.284,6,0.36,0.66,1.0,0.6236721266534165,0.5553509012404907,0.46130320060311153,0.36663011445411553,0.5017390857377835
EOS-3-49248,Fc1cc(-c2nnc3cncc(OCc4ncc(C(F)F)cn4)n23)ccc1Cl,GUKKTGOSJUXBQX-UHFFFAOYSA-N,3,1,0.587,90,255,406.755,3.89,4,0.5,0.72,1.0,0.9472534439037763,0.9749246110616133,0.9427301076005757,0.9428157768487424,0.951930984853677
EOS-3-49249,Fc1cc(CCOc2cncc3nnc(-c4cnnc(-c5ccccc5)c4)n23)ccn1,KCIACNWZUXOPDP-UHFFFAOYSA-N,3,1,0.542,72,386,413.416,3.404,5,0.394,0.62,1.0,0.8226303885957097,0.7808494962648208,0.5542286340895072,0.564448975395792,0.6805393735864573
EOS-3-49250,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)s2)ccn1,IPFGMUHYSGHNRT-UHFFFAOYSA-N,3,1,0.296,32,957,438.541,5.705,6,0.353,0.78,1.0,0.045404701528339385,0.11687855527379892,0.5707113974367761,0.6140771708587486,0.33676795627441575
EOS-3-49251,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)cc1,IRKVEFLWMJGHHS-UHFFFAOYSA-N,3,1,0.506,13,15,451.317,5.774,5,0.339,0.78,1.0,0.6652731135631553,0.772436776094853,0.8679922554999657,0.8855972859982181,0.797824857789048
EOS-3-49252,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnncn5)cn4)n23)cc1F,UXEOEJIXDXUZQI-UHFFFAOYSA-N,3,1,0.457,71,614,482.443,1.947,6,0.343,0.58,1.0,0.5072818860941677,0.5232592008772531,0.17290624357480638,0.16122952504968815,0.3411692138989788
EOS-3-49253,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccnc5-c5ccnn5C)n34)cc2)n1C,WRGBLBFTVRVHKM-UHFFFAOYSA-N,3,1,0.452,40,2,477.532,3.875,6,0.359,0.59,1.0,0.41847714344458914,0.2285227194846138,0.29258618326365565,0.19374957165375917,0.28333390446165446
EOS-3-49254,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5nncs5)s4)n23)cn1,MPJZKAHOHFMLBD-UHFFFAOYSA-N,3,1,0.429,80,843,474.535,3.141,6,0.358,0.57,1.0,0.3370827907614283,0.30008224247824,0.028682064286203825,0.02490405044205332,0.17268778699198137
EOS-3-49255,Cn1c(-c2ccc(Cl)nn2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cn4)cn3)n12,FWNKLYDXBKVZFY-UHFFFAOYSA-N,3,1,0.287,99,754,485.874,3.293,6,0.369,0.64,0.421,0.16541018436022206,0.3101997806867247,0.14166266876841888,0.2758721129463368,0.2232861866904256
EOS-3-49256,CCn1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1-c1ccc(F)cc1,OJHPYJLMXHBIEN-UHFFFAOYSA-N,3,1,0.329,30,220,461.504,5.543,6,0.337,0.77,1.0,0.11609039819066548,0.29514769378383937,0.6236292920293331,0.695145980398876,0.4325033411006785
EOS-3-49258,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1F,KBQKSGHVDIJLKK-UHFFFAOYSA-N,3,1,0.495,37,394,481.894,4.448,5,0.356,0.71,1.0,0.6527996710300871,0.737646494414365,0.7549431156192173,0.7539579192653005,0.7248368000822425
EOS-3-49259,Cc1nc(-c2cocn2)c(-c2nnc3cncc(-c4cnc(Cl)c(F)c4)n23)s1,NUAXWEWOCZEDBS-UHFFFAOYSA-N,3,1,0.296,50,155,413.825,4.066,5,0.411,0.68,0.994,0.2401052018367487,0.37315811116441644,0.2890223425399219,0.42679562744157357,0.33227032074566515
EOS-3-49260,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1cnc(OC)cn1,FZBVCLLDERSNMJ-UHFFFAOYSA-N,3,1,0.447,7,690,474.912,3.842,5,0.347,0.57,0.339,0.4438266739771092,0.5232677678020697,0.24181001987526557,0.20218799259817696,0.3527731135631553
EOS-3-49261,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cn(C)cn5)c4)n23)nc1,HWCVIGWUJQVFLY-UHFFFAOYSA-N,3,1,0.295,30,737,461.504,5.368,6,0.353,0.71,1.0,0.17608457268179015,0.30009080940305666,0.8120845041463917,0.795079158385306,0.5208347611541361
EOS-3-49262,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,IOVYTBAIKMLZFI-UHFFFAOYSA-N,3,1,0.479,65,456,474.912,3.63,5,0.349,0.55,1.0,0.6557552600918375,0.5988280446850799,0.29259475018847236,0.2343225275854979,0.4453751456377219
EOS-3-49263,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccc2F)cs1,XWNHVTZDTCRMFF-UHFFFAOYSA-N,3,1,0.551,11,490,466.929,5.032,5,0.349,0.67,1.0,0.8491792886025632,0.9082054005894045,0.6588393530258378,0.6893376053731752,0.7763904118977452
EOS-3-49264,COC(=O)c1ncc(-c2nnc3cncc(-c4cc5nc(-c6ncnn6C)ccc5n4C)n23)cc1F,KBLAUMWUXXGPSY-UHFFFAOYSA-N,3,1,0.26,50,974,484.455,2.461,6,0.346,0.65,0.095,0.1988297580700432,0.26917277773970255,0.08016928243437736,0.06362655061339181,0.15294959221437873
EOS-3-49265,Cc1cccc(-c2cc(-c3nnc4cncc(Oc5cc(F)cc(F)c5F)n34)cnn2)c1,NCYXQFHDCGJUBM-UHFFFAOYSA-N,3,1,0.421,13,145,434.381,4.766,5,0.38,0.55,1.0,0.7440459872524159,0.8174216983071757,0.9351826468370914,0.9277465560962237,0.8560992221232268
EOS-3-49266,COc1cc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)ccc1Cl,DKCRUIVWEUKYMM-UHFFFAOYSA-N,3,1,0.549,79,650,442.906,5.699,5,0.337,0.81,1.0,0.9753358234528133,0.9592642724967446,0.9153073812624221,0.9039048043314372,0.9384530703858543
EOS-3-49267,COCc1nccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nn2)n1,SUHKAFHABAGLOO-UHFFFAOYSA-N,3,1,0.402,85,476,479.426,3.189,5,0.362,0.57,0.991,0.4139366732917552,0.4778887670481804,0.6292149270098005,0.4551093139606607,0.49403742032759923
EOS-3-49268,CCn1c(C#N)ccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)nc1,XURLKUFEDCLHDV-UHFFFAOYSA-N,3,1,0.311,52,376,488.555,4.449,6,0.362,0.84,0.991,0.05835789185114111,0.032074566513604276,0.030918031663354124,0.1027516962511137,0.056025546569803304
EOS-3-49270,Cc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(F)c(-c4ccnc(F)c4)c3)n12,GYNDHGCJSFPYGB-UHFFFAOYSA-N,3,1,0.523,97,91,464.863,5.067,5,0.338,0.66,1.0,0.9566856281269276,0.9435868000822425,0.9419847851415256,0.9343345212802412,0.9441479336577343
EOS-3-49271,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cc2)no1,IOYRIMOKBDSFSY-UHFFFAOYSA-N,3,1,0.359,69,867,407.393,4.163,6,0.429,0.82,1.0,0.22643238982934685,0.14908162565965322,0.5338307861010212,0.5248783496676033,0.3585557878144061
EOS-3-49272,Cc1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5cnc(C)n5C)cc4)n23)cn1,HUKZQFZZTNZHDH-UHFFFAOYSA-N,3,1,0.323,38,725,464.558,4.994,6,0.365,0.62,1.0,0.11038482626276472,0.10435371119183058,0.32556884380782675,0.26983243095058596,0.202534953053252
EOS-3-49273,CCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)nc2C)s1,ZXSNADWMKBHUDO-UHFFFAOYSA-N,3,1,0.439,31,690,462.514,3.731,5,0.36,0.54,0.839,0.4534130628469605,0.4557346994722774,0.07157665684325955,0.08335617846617778,0.2660201494071688
EOS-3-49274,C#Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cs2)cn1,YZDYIEPXADOUCO-UHFFFAOYSA-N,3,1,0.622,27,996,476.468,4.472,5,0.32,0.71,1.0,0.9253478171475568,0.8892210951956686,0.8720958124871496,0.7812521417312042,0.8669792166403947
EOS-3-49275,Fc1cnc(-c2ccncn2)cc1-c1nnc2cncc(Oc3ccc(F)c(F)c3F)n12,GXAQCQXKSZLGNU-UHFFFAOYSA-N,3,1,0.413,13,573,439.332,3.992,5,0.309,0.57,1.0,0.8491878555273799,0.809600095949558,0.9351912137619081,0.9237201014323898,0.8794248166678089
EOS-3-49276,COc1cc(-c2nc(C)nn2C)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,JTEQBYMJRXHJAU-UHFFFAOYSA-N,3,1,0.419,51,379,481.879,3.065,5,0.337,0.66,1.0,0.4945685696662326,0.4865242272633815,0.18246693167020767,0.14797649235830307,0.32788405523953124
EOS-3-49277,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)c2)nc1,BRMCQLDNBSFYIM-UHFFFAOYSA-N,3,1,0.617,88,141,482.853,4.941,5,0.341,0.76,1.0,0.9429528476458091,0.954561030772394,0.9298197519018573,0.9428243437735591,0.9425394935234048
EOS-3-49278,COc1ncc(-c2ccc(-c3nnc4cncc(Cl)n34)c(OCc3ccc(F)c(F)c3)n2)nn1,BWWKWSWVSPMBRL-UHFFFAOYSA-N,3,1,0.446,59,294,482.838,3.558,5,0.358,0.62,1.0,0.7167860324857789,0.695145980398876,0.5707199643615928,0.5418494277294222,0.6311253512439174
EOS-3-49279,COCCNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nncn5C)cc4F)n23)cc1,IZFSOZWVICNPOS-UHFFFAOYSA-N,3,1,0.427,61,451,488.483,2.894,5,0.331,0.78,1.0,0.4392947707490919,0.21305085326571174,0.3145603454184086,0.20219655952299362,0.29227563223905145
EOS-3-49280,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)c(Cl)n1,UOAIOJTXMLQAQA-UHFFFAOYSA-N,3,1,0.552,4,71,464.316,4.838,5,0.344,0.62,1.0,0.615430744979782,0.6903827702008087,0.7094870125419779,0.7384689191967652,0.6884423617298334
EOS-3-49281,Cc1csc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)c2)n1,KVPHOYGEUJRUOH-UHFFFAOYSA-N,3,1,0.523,97,666,452.902,4.99,5,0.349,0.67,1.0,0.692284627510109,0.6805650743609074,0.7121084915358783,0.6923702967582757,0.6943321225412926
EOS-3-49282,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)c(F)c4)n23)c(F)c1,IKBMFQUMURPYRC-UHFFFAOYSA-N,3,1,0.333,3,219,485.433,4.128,6,0.37,0.66,0.998,0.2854413679665547,0.4470135700089096,0.7277945308751971,0.7994225892673565,0.5649180145295045
EOS-3-49283,COc1cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1csc(C)n1,CEDPGPVFDPMIND-UHFFFAOYSA-N,3,1,0.478,97,383,464.938,4.859,5,0.331,0.7,1.0,0.6864591186347748,0.7189106298403125,0.6236378589541498,0.5080871770269344,0.6342736961140429
EOS-3-49284,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)OC(F)F)nc5)n34)cn2)nn1,QUKVTUBGJZFZKH-UHFFFAOYSA-N,3,1,0.385,27,69,481.398,3.741,5,0.339,0.62,0.908,0.8146374477417586,0.8017699266671235,0.7888595709684052,0.6660441367966554,0.7678277705434857
EOS-3-49285,CN(C)C(=O)c1ncc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccccn5)c4)n23)cn1,VYDCYUNPVPUDGC-UHFFFAOYSA-N,3,1,0.478,16,253,486.923,3.578,5,0.358,0.73,1.0,0.6834863957233911,0.6367109862243849,0.17291481049962307,0.15064080597628676,0.4109382496059214
EOS-3-49286,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nn4)n23)c(F)c1)N1CC(F)C1,PNJJVYYBSHGFJC-UHFFFAOYSA-N,3,1,0.318,62,574,487.445,3.987,6,0.381,0.7,0.966,0.20436399150161058,0.33428140634637793,0.47506168185868003,0.6546158590912207,0.41708073469947227
EOS-3-49287,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5CO)no4)n23)cc1,CGHBAUGGYHEBQQ-UHFFFAOYSA-N,3,1,0.355,52,582,487.907,3.546,6,0.371,0.81,0.998,0.2720598314029196,0.32055719279007605,0.23108423000479747,0.3438592282914125,0.2918901206223014
EOS-3-49288,Clc1nccc(CCOc2cncc3nnc(-c4cc(-c5cnco5)on4)n23)n1,WFZVIOUVPICDOY-UHFFFAOYSA-N,3,1,0.451,18,367,410.781,2.499,5,0.384,0.7,1.0,0.41394524021657186,0.2742700980056199,0.10708656020834761,0.12955760400246727,0.23121487560825169
EOS-3-49289,Cc1cc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)cc4)n23)ccc1Cl,IWTUHJHRDARBBP-UHFFFAOYSA-N,3,1,0.392,83,533,415.859,5.621,5,0.383,0.85,0.999,0.36713556301829897,0.6413028579261189,0.9344458913028579,0.9567455966006443,0.72490747721198
EOS-3-49290,Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)cn1,GFTJEQDJCYPALW-UHFFFAOYSA-N,3,1,0.346,93,774,463.932,5.668,6,0.337,0.78,1.0,0.007573161537934343,0.2385288876704818,0.7329860873140978,0.7927232540607224,0.4429528476458091
EOS-3-49291,Fc1cnc(-c2sc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2Cl)nc1,UJAKEJONQRDTSH-UHFFFAOYSA-N,3,1,0.562,73,665,474.855,4.96,5,0.358,0.71,1.0,0.8017099581934068,0.6753992186964567,0.8467120142553629,0.8908316770612021,0.8036632170516071
EOS-3-49292,CCn1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6F)nc5)n34)nc2)cn1,GSJCCGYHPSJTFK-UHFFFAOYSA-N,3,1,0.314,42,106,481.47,4.472,6,0.358,0.66,1.0,0.2346737715029813,0.27427866493043657,0.6176924131313823,0.6109588102254815,0.43440091494757044
EOS-3-49293,Cc1cnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)cn1,ANUCUEUORCGTSG-UHFFFAOYSA-N,3,1,0.551,35,426,478.343,4.88,5,0.321,0.72,1.0,0.7731992324035364,0.8393787266122953,0.712117058460695,0.7359930779247481,0.7651720238503187
EOS-3-49294,c1ccc(-c2ncncc2-c2nnc3cncc(OCc4cnc(-c5nnsn5)cn4)n23)cc1,DZVTVFWHXDWPHD-UHFFFAOYSA-N,3,1,0.412,6,342,467.478,2.531,6,0.356,0.53,1.0,0.2911640737440888,0.24886916592419986,0.04474504831745597,0.06363511753820848,0.16210335138098828
EOS-3-49295,COc1nc(-c2nnc(C)s2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,AOSRZUUAXVYEEL-UHFFFAOYSA-N,3,1,0.478,31,456,482.476,3.317,5,0.345,0.61,0.491,0.6380302926461517,0.5694434925639092,0.20261633883901034,0.17448255774107327,0.39614317044753616
EOS-3-49296,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccccc5Cl)n4)n23)c(F)c1,BGQJINBAFIGSKO-UHFFFAOYSA-N,3,1,0.397,3,314,484.886,3.898,6,0.37,0.64,1.0,0.24267527928174903,0.45122849701871015,0.44002295935850866,0.5771451579740936,0.42776797340826533
EOS-3-49297,CCc1nc(-c2nnc3cncc(OCc4ccnc(OC)c4)n23)ccc1-c1nnc2ccccn12,SCOQTLHCLBDOOB-UHFFFAOYSA-N,3,1,0.375,49,348,479.504,3.441,6,0.339,0.61,1.0,0.3417945994105956,0.22345109999314647,0.11838633404153245,0.08873620725104517,0.1930920601740799
EOS-3-49298,Fc1nc(-c2nnco2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3Cl)n12,LVNBAFUCIITOBV-UHFFFAOYSA-N,3,1,0.506,58,271,473.255,3.699,5,0.34,0.56,1.0,0.837605373175245,0.7974093619354397,0.4684908505242958,0.567695839901309,0.6678003563840724
EOS-3-49299,COc1ncc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1-c1cncn1CCF,ZTYVZVBYAPJQOG-UHFFFAOYSA-N,3,1,0.455,7,328,480.891,3.655,5,0.331,0.67,0.996,0.38326708244808444,0.39196251113700226,0.37807552600918376,0.33757110547597835,0.3727190562675622
EOS-3-49300,Cc1cc(-c2nnc3cncc(OCc4cnnc(-c5cccc(Cl)n5)c4)n23)ccc1Cl,CXAGGPKYRUQPOJ-UHFFFAOYSA-N,3,1,0.489,43,97,464.316,4.838,5,0.344,0.61,0.962,0.8171561236378589,0.8838410664108012,0.7569734768007675,0.8015557535467068,0.8148816050990336
EOS-3-49301,COc1ncc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1-c1cnccn1,GGMAPQGNBTVBFR-UHFFFAOYSA-N,3,1,0.547,84,752,477.887,4.066,5,0.346,0.61,1.0,0.7931430333767391,0.7808580631896375,0.6617349736138716,0.620048317455966,0.7139460969090536
EOS-3-49302,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCC(F)(F)C6)cc5)n34)cn2)o1,ICWXKEUBYLCMEV-UHFFFAOYSA-N,3,1,0.333,52,376,487.47,4.298,6,0.372,0.77,0.993,0.08605475978342814,0.11114728257144815,0.2132992940853951,0.3185610993077925,0.182265608937016
EOS-3-49303,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cccc(-c4ccsc4)c3)n12,OKOORBNZEDPUOW-UHFFFAOYSA-N,3,1,0.553,35,265,451.914,5.329,5,0.349,0.65,1.0,0.8376139401000616,0.8358320197381948,0.8666301144541155,0.8881844972928518,0.857065142896306
EOS-3-49304,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6F)cn5)n34)cc2)c1,CQRTVOPEAHVLLH-UHFFFAOYSA-N,3,1,0.333,69,818,463.451,5.256,6,0.332,0.68,1.0,0.3671441299431156,0.49607634843396614,0.9012233568638202,0.9072030703858543,0.667911726406689
EOS-3-49305,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5nc(C)c(F)[nH]5)c4)n23)n1,PWFVUJRUWGKAIN-UHFFFAOYSA-N,3,1,0.523,4,239,416.42,3.306,5,0.468,0.53,1.0,0.47753752313069703,0.49117606743883213,0.30709855390309093,0.2287111918305805,0.37613083407580017
EOS-3-49306,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)n1,YTLLNXABPXXXQH-UHFFFAOYSA-N,3,1,0.39,46,531,480.866,3.9,5,0.36,0.58,0.999,0.7167945994105955,0.6318021383044342,0.5372489891028717,0.5836303200603111,0.617369011719553
EOS-3-49307,Fc1cc(-c2ccc(COCc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)ccn1,ZWXLOPUJRQAWFK-UHFFFAOYSA-N,3,1,0.469,14,676,462.435,5.042,5,0.315,0.69,1.0,0.6350661366595847,0.7329346857651977,0.9562401480364608,0.935216914536358,0.8148644712494004
EOS-3-49308,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3cccnc3-c3cccc(Cl)c3)n12,FDBWYFPQOJKUPF-UHFFFAOYSA-N,3,1,0.367,8,474,479.935,4.847,6,0.348,0.7,0.996,0.0860633267082448,0.2180625042834624,0.18896922760605853,0.36973990816256597,0.21570874169008292
EOS-3-49309,COc1ncc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1cccc(F)c1,UJBSXOQZFBFLPG-UHFFFAOYSA-N,3,1,0.651,57,732,475.911,5.276,5,0.319,0.81,1.0,0.8922880542800357,0.9163439791652388,0.8623466520457816,0.8566239462682476,0.8819006579398259
EOS-3-49310,Cc1ccc(-c2nnc3cncc(-c4ccccc4OCc4cccc(C)n4)n23)nc1,XGSYVSXTNQSHKT-UHFFFAOYSA-N,3,1,0.32,62,586,408.465,4.444,5,0.428,0.83,0.991,0.2015112055376602,0.094981495442396,0.49928894524021655,0.4013090261119868,0.29927266808306485
EOS-3-49311,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnn2)cn1,BIPJXIZFJDSVGX-UHFFFAOYSA-N,3,1,0.533,87,393,410.441,2.968,5,0.421,0.64,1.0,0.6011839490096635,0.4512370639435268,0.33650880679871154,0.26984099787540267,0.41469270440682615
EOS-3-49312,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cc4)n23)ncn1,LVEYWZAGHQOIIM-UHFFFAOYSA-N,3,1,0.417,46,864,482.426,3.942,5,0.344,0.66,0.994,0.5752690014392434,0.4960849153587828,0.8693543965458159,0.7332345281337811,0.6684857103694057
EOS-3-49313,Cn1nc(Cc2ccccn2)nc1CCc1cncc2nnc(-c3ccnc(F)c3)n12,DQGNBHJRAUICFK-UHFFFAOYSA-N,3,1,0.355,85,580,415.436,2.225,5,0.392,0.64,1.0,0.21807107120827907,0.18973168391474196,0.022428209170036323,0.045447536152422724,0.11891962511137
EOS-3-49314,Cc1nc(-c2ccccc2F)cc(-c2nnc3cncc(OCCc4nc(Cl)cnc4F)n23)n1,VBZRSKPXTSWSJL-UHFFFAOYSA-N,3,1,0.438,44,531,480.866,3.9,5,0.36,0.6,1.0,0.7349479130971147,0.7553885957096841,0.38168220135700087,0.4766379960249469,0.5871641765471867
EOS-3-49315,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncnc4)n23)nn1C,HQPJJFPLJOYKRW-UHFFFAOYSA-N,3,1,0.404,31,569,416.449,1.82,5,0.395,0.54,0.999,0.12122198615584949,0.009569255020217942,0.03737749297512165,0.024912617366869987,0.04827033787951477
EOS-3-49316,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccccc4-c4ccccc4)n23)c(Cl)c1,ZAAPJAHYUXBBJE-UHFFFAOYSA-N,3,1,0.347,93,107,463.932,5.574,6,0.341,0.76,1.0,0.18776985813172503,0.2846960455075046,0.7146014666575287,0.7994311561921733,0.4966246316222329
EOS-3-49317,Cc1nccn1-c1ccc(COc2cncc3nnc(-c4cnc(Cl)nc4F)n23)s1,WSNZIPWQIJBBTH-UHFFFAOYSA-N,3,1,0.441,7,185,442.867,3.508,5,0.303,0.65,1.0,0.37165889932149954,0.46454149818381196,0.27803954492495375,0.27266808306490303,0.3467270063737921
EOS-3-49318,c1coc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)c1,COXZWPUKJAVRFN-UHFFFAOYSA-N,3,1,0.284,86,443,408.385,2.688,6,0.467,0.7,1.0,0.13266739771091768,0.14514940716880267,0.15070077445000343,0.16359399629908847,0.14802789390720306
EOS-3-49319,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCN(C(F)F)CC5)cn4)n23)nc1,LPLZZLSFPCRTGI-UHFFFAOYSA-N,3,1,0.293,63,686,493.478,1.588,5,0.416,0.76,0.728,0.042483380165855664,0.016525597971352203,0.00809574395175108,0.01763073127270235,0.021183863340415325
EOS-3-49320,Cc1nc(-c2ccc(F)c(Cl)c2)cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)n1,MXGHDJUKNMMONM-UHFFFAOYSA-N,3,1,0.421,44,531,479.878,4.771,5,0.358,0.67,1.0,0.7260383112877802,0.7329432526900144,0.8036717839764238,0.7904530189843054,0.763276591734631
EOS-3-49321,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1c[nH]c(=N)cn1,IMASLWBKWWPTAV-UHFFFAOYSA-N,3,1,0.505,35,729,474.912,3.339,5,0.346,0.7,1.0,0.8017185251182236,0.6367195531492016,0.5638749914330752,0.4456856966623261,0.6119996915907067
EOS-3-49322,Fc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)cn1,RUQLRNZNGSNWOE-UHFFFAOYSA-N,3,1,0.364,32,20,480.894,5.165,6,0.343,0.76,1.0,0.33709135768624493,0.5322544719347543,0.7171715441025289,0.7880714138852717,0.5936471969022
EOS-3-49323,Clc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(Cl)c(-c6c[nH]nn6)c5)n34)n2)nn1,RBDPUZLRIAWKLS-UHFFFAOYSA-N,3,1,0.3,22,844,477.279,2.921,6,0.406,0.49,0.221,0.05153861969707354,0.2742872318552532,0.23109279692961415,0.41080117880885475,0.2419299568226989
EOS-3-49324,Fc1nccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6nnco6)n5)n34)nc2)c1Cl,XGWKEOJRYMZTCA-UHFFFAOYSA-N,3,1,0.276,76,387,471.843,4.153,6,0.349,0.57,0.647,0.32985230621616063,0.3684805702145158,0.530506819272154,0.6015865944760469,0.45760657254471937
EOS-3-49325,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1Cl,AMDSZONCIROMCE-UHFFFAOYSA-N,3,1,0.489,37,639,481.347,4.393,5,0.318,0.71,1.0,0.6468627921321363,0.6805736412857241,0.3701853882530327,0.47965355356041395,0.5443188438078267
EOS-3-49326,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnsc5)cc4F)n23)cc1,SCZVAXJNVWKUOC-UHFFFAOYSA-N,3,1,0.333,9,38,453.506,5.121,6,0.37,0.61,1.0,0.22347680076759646,0.2794616544445206,0.8036803509012405,0.7927318209855391,0.5248376567747242
EOS-3-49327,CCc1nc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)ccc1-c1ncc(F)cn1,LHEKQARIJNDJOE-UHFFFAOYSA-N,3,1,0.424,18,717,474.475,3.809,5,0.351,0.55,1.0,0.7230655883763965,0.626884723459667,0.2818860941676376,0.2488862997738332,0.47018067644438355
EOS-3-49328,Clc1cccc(CCOc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)c1Cl,XIBNDDHJRGRIMG-UHFFFAOYSA-N,3,1,0.6,57,732,462.34,5.782,5,0.32,0.8,1.0,0.929314303337674,0.9217754094990063,0.9023456240148037,0.9298968542252073,0.9208330477691729
EOS-3-49330,Clc1cccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4cncs4)n23)c1,VBQPGCMVICKMGT-UHFFFAOYSA-N,3,1,0.488,97,992,455.33,5.196,5,0.339,0.72,1.0,0.7440545541772325,0.7974179288602563,0.677763689945857,0.7904615859091221,0.752424439723117
EOS-3-49331,O=C(NCc1ccccc1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)nn4)n23)nc1,COAXSXJXMRPCOY-UHFFFAOYSA-N,3,1,0.339,30,298,491.49,3.503,6,0.379,0.81,0.917,0.07713659104927695,0.1079946542389144,0.40010965663765335,0.40131759303680353,0.24663962374066206
EOS-3-49332,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)c5ccccc5)nc4)n23)nc1,FYRJKABJXVURRD-UHFFFAOYSA-N,3,1,0.367,30,945,481.47,4.184,6,0.364,0.63,0.688,0.08607189363306147,0.24887773284901651,0.8734836543074498,0.8037831539990405,0.5030541086971421
EOS-3-49333,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cn(C(F)F)nc5C)n34)nc2F)s1,SWHFQUKPQWLNEE-UHFFFAOYSA-N,3,1,0.375,53,237,473.444,3.631,5,0.344,0.59,0.976,0.3809711465972175,0.41573572750325544,0.26675690494140225,0.2112517990542115,0.31867889452402165
EOS-3-49334,CC#Cc1cncc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nn5)n34)cnn2)c1,QMZIPJHYTJRZOH-UHFFFAOYSA-N,3,1,0.382,53,226,471.431,3.321,5,0.344,0.52,0.063,0.6622746898773216,0.49118463436364884,0.653005277225687,0.5382341854567885,0.5861746967308614
EOS-3-49335,Fc1c(-c2cccnn2)ccnc1Cc1cncc2nnc(-c3ccc(C(F)F)c(Cl)c3)n12,BEWDCWAZXDQSBW-UHFFFAOYSA-N,3,1,0.346,14,476,467.842,4.964,5,0.363,0.58,1.0,0.4847680076759646,0.5988366116098965,0.9398173531629086,0.9444434925639092,0.7419663662531697
EOS-3-49336,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)ccc2Cl)c1,NXBVCFNJQUGXIX-UHFFFAOYSA-N,3,1,0.523,35,795,478.343,4.88,5,0.344,0.69,1.0,0.8868908916455349,0.9321328216023577,0.6261822356247002,0.7033273935987938,0.7871333356178466
EOS-3-49337,Cc1nc(Cl)ccc1-c1nnc2cncc(Oc3ccnc(-c4cn(C)nc4C(F)F)n3)n12,LUKOIPVRZHRQOU-UHFFFAOYSA-N,3,1,0.337,92,185,469.843,4.069,5,0.354,0.59,1.0,0.4557346994722774,0.5694520594887259,0.42871461860050714,0.3697484750873826,0.4559124631622232
EOS-3-49338,CCc1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)c(CC)n4)n23)cnc1F,YPBFFGPXDQZTNX-UHFFFAOYSA-N,3,1,0.394,31,717,456.485,3.881,5,0.34,0.55,0.749,0.5072904530189843,0.4819066547871976,0.28903090946473853,0.21970735384826262,0.37448384277979574
EOS-3-49339,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccc2F)nc(CF)n1,PDQQJJNGIMEDIH-UHFFFAOYSA-N,3,1,0.516,37,125,477.45,4.321,5,0.345,0.62,1.0,0.9390634637790419,0.9082139675142211,0.6777722568706737,0.6517887739017202,0.7942096155164142
EOS-3-49340,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cnns6)cc5F)n34)cn2)nn1,XHZMRWHRNKKRJP-UHFFFAOYSA-N,3,1,0.293,70,151,472.444,3.502,6,0.379,0.5,0.287,0.15973888013158796,0.26398122130080187,0.4362535124391748,0.5116081831265848,0.34289544924953735
EOS-3-49341,Fc1ccc(-c2nnc3cncc(-c4cc(F)ccc4OCc4cc(F)c(Cl)cn4)n23)cc1,ZLAYTYLXHIJDEA-UHFFFAOYSA-N,3,1,0.407,45,533,467.838,5.503,5,0.341,0.71,0.999,0.8579775203892811,0.9012233568638202,0.9793280104173806,0.9840226852169145,0.9306378932218491
EOS-3-49342,Fc1cccc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1,GVNKJIYCPMZNCJ-UHFFFAOYSA-N,3,1,0.704,57,23,448.86,5.969,5,0.332,0.84,1.0,0.9885460215201152,0.9951939551778494,0.9830117880885477,0.9903622095812488,0.9892784935919403
EOS-3-49343,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3cc(Cl)nc(-c4ccccn4)c3)n12,GDYDPKVVDHLOTI-UHFFFAOYSA-N,3,1,0.5,59,109,467.291,5.273,5,0.328,0.71,1.0,0.9039819066547872,0.8920738811596189,0.9056096223699541,0.9318158453841409,0.9083703138921253
EOS-3-49344,Cc1cnnc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n1,BCGGRUYPMPUTIQ-UHFFFAOYSA-N,3,1,0.443,53,466,412.417,1.758,5,0.406,0.57,1.0,0.5484288259886231,0.295156260708656,0.04813755054485642,0.04808614899595641,0.234952196559523
EOS-3-49345,Cc1ncc(-c2nnnn2C)c(-c2cncc3nnc(-c4ccc(OCC5CCCCO5)nc4)n23)n1,MLYLQZWFKRCPNQ-UHFFFAOYSA-N,3,1,0.312,78,974,485.512,2.09,6,0.348,0.67,1.0,0.17906586251799053,0.06794428072099239,0.0034267699266671238,0.006288122815434172,0.06418125899527105
EOS-3-49346,CCOc1cc(-c2ccnn2C)ccc1-c1cncc2nnc(-c3cc(F)c(Cl)cc3CO)n12,FXEQYMAIBQGCTL-UHFFFAOYSA-N,3,1,0.333,61,697,478.915,4.542,5,0.385,0.65,0.998,0.460155232677678,0.5462528270851895,0.8786495099719005,0.8265626070865603,0.677905044205332
EOS-3-49347,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5cccc(Cl)n5)[nH]4)n23)cc1,RKIMIBIKSUDEMI-UHFFFAOYSA-N,3,1,0.326,10,407,470.859,3.888,6,0.385,0.53,0.037,0.27206839832773627,0.42472243163594,0.42150126790487286,0.5896443012816119,0.42698409978754026
EOS-3-49348,CCc1nc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1cn(C)cn1,DXZQWUNPAUOYBD-UHFFFAOYSA-N,3,1,0.402,31,690,478.919,3.958,5,0.349,0.61,0.516,0.5642519361250086,0.6181464601466657,0.31456891234322526,0.33114591186347747,0.45702830511959425
EOS-3-49349,Cc1ccc(-c2nnc3cncc(Cc4cc(F)cc(C(F)(F)F)c4)n23)cc1[N+](=O)[O-],NOXSBVNWCBMIDA-UHFFFAOYSA-N,3,1,0.388,66,225,431.349,4.757,4,0.264,0.8,1.0,0.4775460900555137,0.47789733397299705,0.982206497155781,0.9267956274415736,0.7161113871564664
EOS-3-49350,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)ncn2)nc1N(C)C,WQTCQSWTGAZRDN-UHFFFAOYSA-N,3,1,0.467,44,971,477.891,3.998,5,0.371,0.6,0.995,0.5558820505791241,0.4557432663970941,0.2667654718662189,0.23433109451031459,0.3781804708381879
EOS-3-49351,COc1nc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,ROMNZSAXIIMEDW-UHFFFAOYSA-N,3,1,0.495,58,698,467.848,3.659,5,0.331,0.55,1.0,0.7530241244602838,0.6612637927489549,0.41035569871838806,0.3535227194846138,0.5445415838530601
EOS-3-49352,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)nn1,QJFPUXHOYSZUQQ-UHFFFAOYSA-N,3,1,0.705,88,781,479.878,4.505,5,0.354,0.63,1.0,0.9514598039887602,0.9447690357069426,0.7998766362826399,0.8188009732026592,0.8787266122952505
EOS-3-49353,COc1cccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c(OC)n1,XOVZIEQROMODQZ-UHFFFAOYSA-N,3,1,0.495,24,710,475.896,3.893,5,0.324,0.61,0.984,0.5612706462888082,0.5414553491878555,0.3291498183811939,0.23148687547118085,0.41584067233225963
EOS-3-49354,COCc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C)cc5)n34)c(F)c2)c1,GIXVXMWNDOLREV-UHFFFAOYSA-N,3,1,0.466,79,528,440.478,5.845,5,0.332,0.82,1.0,0.9348399698444246,0.9082225344390378,0.9451631142485094,0.9107583441847714,0.9247459906791857
EOS-3-49355,Fc1ccc(F)c(-c2cnnc(Cc3cncc4nnc(-c5ccc(F)c(F)c5F)n34)c2)c1,DYIQQNVPZNLOBF-UHFFFAOYSA-N,3,1,0.325,45,102,454.362,4.535,5,0.295,0.62,1.0,0.4578935645260777,0.6562350078815709,0.9786769241313138,0.984965046946748,0.7694426358714276
EOS-3-49356,Cc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)sc1-c1ncc(Cl)cn1,WGRRYECDYRLWKK-UHFFFAOYSA-N,3,1,0.466,46,775,471.333,4.294,5,0.374,0.61,1.0,0.47990199438009734,0.4600609965046947,0.10709512713316428,0.22259440751147969,0.317413131382359
EOS-3-49357,Cc1cccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5nnns5)cc4F)n23)c1,CWEGNBZUJABUGC-UHFFFAOYSA-N,3,1,0.31,3,693,472.534,4.943,6,0.358,0.69,1.0,0.21807963813309575,0.32506339524364336,0.37019395517784937,0.4677026934411624,0.3452599204989377
EOS-3-49358,Fc1cnc(Cl)c(Oc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)c1,XFUBIGREQHAZJH-UHFFFAOYSA-N,3,1,0.443,13,284,453.264,5.487,5,0.335,0.69,1.0,0.8300579124117606,0.8787437461448838,0.9320471523541909,0.9496264820779933,0.8976188232472072
EOS-3-49359,Cc1cc(-c2cc(Cc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)ccc2F)ccn1,PLQOPKJNEDVDLD-UHFFFAOYSA-N,3,1,0.439,14,358,464.426,5.305,5,0.338,0.7,1.0,0.47755465698033034,0.6660013021725721,0.9863186210677816,0.9639846480707285,0.7734648070728531
EOS-3-49360,Cc1nc(-c2ccnc(F)c2)c(-c2cncc3nnc(-c4ccc(C#N)cc4)n23)n1C,UBGTWHDHYLNXAI-UHFFFAOYSA-N,3,1,0.449,74,139,410.416,3.573,5,0.422,0.72,1.0,0.2828113220478377,0.36344321842231514,0.5542372010143239,0.5806490302241107,0.4452851929271469
EOS-3-49361,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)nc2)cc(Cl)n1,YIACKHCGAQXDPF-UHFFFAOYSA-N,3,1,0.472,16,969,478.343,5.146,5,0.323,0.81,1.0,0.7349564800219314,0.8526574600781304,0.7405506819272154,0.7463504900280995,0.7686287780138441
EOS-3-49362,FCc1cc(-c2ccc(-c3nnc4cncc(OCc5sccc5Cl)n34)cn2)ccn1,CTQOHJCKZXYTON-UHFFFAOYSA-N,3,1,0.456,27,390,452.902,5.012,5,0.36,0.66,1.0,0.6922931944349257,0.7553971626345007,0.6805907751353574,0.6978359947913098,0.7065292817490234
EOS-3-49363,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4)n23)c(Cl)c1,HYRJJKOCGRJABT-UHFFFAOYSA-N,3,1,0.311,32,693,468.883,5.098,6,0.386,0.64,0.746,0.22348536769241314,0.42473099856075663,0.7640668905489686,0.8245579466794599,0.5592103008703996
EOS-3-49364,N=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)s1,QHESKZCIGVQQJO-UHFFFAOYSA-N,3,1,0.535,15,438,434.46,2.878,5,0.397,0.54,1.0,0.6622832568021383,0.5462613940100062,0.3437821259680625,0.2997824001096566,0.4630272942224659
EOS-3-49365,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(C(F)F)cc4)n23)ccc1F,ICIXYHCMBBLARY-UHFFFAOYSA-N,3,1,0.523,43,138,464.451,5.33,5,0.326,0.74,1.0,0.7901874443149887,0.7376550613391817,0.9567884312247276,0.9268041943663903,0.852858782811322
EOS-3-49366,Fc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cnsn5)c4)n23)ncc1Cl,ZXTKXWJLBKQPMH-UHFFFAOYSA-N,3,1,0.489,73,486,475.296,4.125,5,0.35,0.62,1.0,0.6320762798985676,0.6707730792954562,0.6292234939346172,0.7223459666917963,0.6636047049551093
EOS-3-49367,FC(F)c1nc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)n(Cc2ccnc(Cl)n2)n1,JZCUJJOOWLQCFB-UHFFFAOYSA-N,3,1,0.298,50,542,475.25,3.528,5,0.355,0.56,0.849,0.23744945514358165,0.31020834761154137,0.19572853128640944,0.3535312864094305,0.27422940511274074
EOS-3-49368,Cc1cc(-c2nnc3cncc(OCCc4nn(C)cc4Cl)n23)cc(-c2ncc(F)cn2)n1,LUZVYXUZPPYGSY-UHFFFAOYSA-N,3,1,0.451,31,775,465.88,3.099,5,0.376,0.49,1.0,0.5198666986498527,0.5232763347268864,0.16003015557535466,0.19629394832430952,0.34986678431910084
EOS-3-49369,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)c2)nn1,CEJBRYWDGQOLHQ-UHFFFAOYSA-N,3,1,0.317,22,844,407.8,2.836,5,0.453,0.7,0.965,0.07948392844904394,0.25376944691933384,0.4857703378795148,0.6140857377835652,0.3582773627578645
EOS-3-49370,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccnc(F)c5)n34)ncn2)c1,JVVSJUDLQILKCR-UHFFFAOYSA-N,3,1,0.457,7,354,415.392,2.46,5,0.399,0.54,0.997,0.46498697827427865,0.4865327941881982,0.3035604139538071,0.2640583236241519,0.37978462751010894
EOS-3-49371,CCc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)no1,ISKNDAZTJHXHDJ-UHFFFAOYSA-N,3,1,0.5,75,658,414.429,2.815,5,0.396,0.62,0.999,0.3509440751147968,0.2537780138441505,0.09010691522171202,0.06699335206634227,0.1904555890617504
EOS-3-49372,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)cc(F)n2)ncc1F,VABFQOXUKVIZOT-UHFFFAOYSA-N,3,1,0.432,73,606,480.866,4.166,5,0.345,0.66,1.0,0.75002570077445,0.7808666301144541,0.5897471043794119,0.5741381673634433,0.6736944006579397
EOS-3-49373,COc1cc(-c2nnc3cncc(-c4cccnc4-c4ncc(C(F)(F)F)cn4)n23)ccc1Cl,UYLZTOJGGDQFFZ-UHFFFAOYSA-N,3,1,0.326,96,315,483.841,4.991,5,0.355,0.78,1.0,0.5752775683640601,0.742341169213899,0.9625625385511617,0.9325954355424577,0.8031941779178946
EOS-3-49374,FC(F)c1csc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccno5)c4)n23)n1,GXERDVTWYPABHQ-UHFFFAOYSA-N,3,1,0.542,4,71,460.853,5.073,5,0.349,0.73,0.998,0.7106349804674115,0.8495476663696799,0.8056336097594408,0.7880799808100885,0.7884740593516552
EOS-3-49375,Fc1cccc(-c2cncnc2-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)c1,AWRQCUUCZUBAAX-UHFFFAOYSA-N,3,1,0.311,94,136,482.87,3.955,6,0.344,0.67,0.433,0.3440734014118292,0.4338119388664245,0.41783462408333905,0.5582293879788911,0.43848733808512097
EOS-3-49376,CCn1cc(-c2cccc(-c3nnc4cncc(CCc5ccccc5F)n34)c2)cn1,HZVZHZMTNPNSOG-UHFFFAOYSA-N,3,1,0.396,14,886,412.472,4.599,5,0.409,0.77,1.0,0.19883832499485984,0.310216914536358,0.6383130011651018,0.6489702556370365,0.44908462408333905
EOS-3-49377,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cn4)n23)cc1,DAJJROHLKNOCRC-UHFFFAOYSA-N,3,1,0.541,89,22,406.409,3.094,5,0.437,0.77,1.0,0.6557638270166541,0.6903913371256254,0.617700980056199,0.5708998697827428,0.6336890034953053
EOS-3-49378,CCc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nnco1,PQDHREYWTMSVPR-UHFFFAOYSA-N,3,1,0.453,31,690,414.429,2.815,5,0.396,0.59,0.971,0.4073058734836543,0.19891542731820985,0.06731889520937565,0.059171749708724554,0.18317798642999109
EOS-3-49379,Fc1ccccc1-c1nnc2cncc(OCc3cccc(-c4nc(Cl)c(F)s4)n3)n12,QYNQUOFELTVRAR-UHFFFAOYSA-N,3,1,0.518,34,268,456.865,4.82,5,0.377,0.63,1.0,0.7045010622986773,0.8017784935919402,0.6383215680899185,0.7090672332259612,0.7134170893016243
EOS-3-49380,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccccc5Br)n34)c2)nn1,QLKIQSAWZTZZHL-UHFFFAOYSA-N,3,1,0.671,91,742,488.349,4.336,5,0.351,0.79,1.0,0.7761548214652868,0.8290470152833939,0.4648413405523953,0.45511788088547733,0.6312902645466384
EOS-3-49381,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccc5)n34)nc2)c1,JUIGJLSMISBATL-UHFFFAOYSA-N,3,1,0.333,30,737,450.502,5.783,6,0.34,0.79,1.0,0.13523747515591802,0.32056575971489276,0.6885151805907751,0.7834538414090878,0.4819430642176684
EOS-3-49382,COc1ccc(-c2cncnn2)nc1COc1cncc2nnc(-c3ccc([N+](=O)[O-])cc3)n12,JNQSSJVBMMULAI-UHFFFAOYSA-N,3,1,0.484,4,224,457.41,2.534,5,0.261,0.61,0.907,0.5227109176889864,0.14909019258446987,0.16322561853197176,0.03915941333698855,0.21854653553560416
EOS-3-49383,CN(C)CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4nc(Cl)ns4)n23)c1,LKUOCLPLLKOMDK-UHFFFAOYSA-N,3,1,0.418,36,931,482.961,2.695,5,0.329,0.69,1.0,0.1760931396066068,0.30507675964635733,0.010306010554451375,0.009560688095401275,0.12525914947570418
EOS-3-49384,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)n2C)nn1C,RBYRJJWCGFQWRF-UHFFFAOYSA-N,3,1,0.341,56,42,464.537,3.225,6,0.389,0.51,1.0,0.15974744705640465,0.07169659379069289,0.0758429854019601,0.05206120211089028,0.08983705708998697
EOS-3-49385,Cn1ccnc1-c1cc(F)cc(-c2nnc3cncc(OCc4nc(C(F)(F)F)cs4)n23)c1,MBPLLNUQAVKGNG-UHFFFAOYSA-N,3,1,0.58,27,51,475.431,4.385,5,0.351,0.65,1.0,0.5558906175039408,0.685448221506408,0.8799688163936673,0.7618052223973683,0.7207782194503461
EOS-3-49386,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)c2)s1,NYEPVCLTXQGVSP-UHFFFAOYSA-N,3,1,0.533,35,655,466.929,5.032,5,0.326,0.69,1.0,0.7847217462819547,0.8096086628743746,0.6968250976629429,0.6866647248303749,0.7444550579124117
EOS-3-49387,CC#Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)n(C)n2)n1,AKTPLMAEAGILRB-UHFFFAOYSA-N,3,1,0.423,31,694,441.43,2.466,5,0.302,0.58,0.978,0.3488109108354465,0.23853745459529846,0.30356898087862383,0.24022513878418203,0.2827856212733877
EOS-3-49388,Fc1cccc(-c2cccc(-c3nnc4cncc(OCCC5OCCO5)n34)c2)c1,GOYGSBUBAOGXQF-UHFFFAOYSA-N,3,1,0.554,48,576,406.417,3.739,5,0.486,0.78,1.0,0.832576588307861,0.732951819614831,0.7094955794667946,0.7716657528613529,0.7616724350627099
EOS-3-49389,COc1ncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cccc(F)c1,GEEJKLAZQBGGBH-UHFFFAOYSA-N,3,1,0.484,11,848,476.899,4.671,5,0.315,0.73,1.0,0.8121102049208416,0.8674611061613323,0.6968336645877595,0.6837862380919745,0.765047803440477
EOS-3-49390,O=C(NC1=CCCC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)c(Cl)c1,RZVOQMFRGMRQFE-UHFFFAOYSA-N,3,1,0.316,52,246,482.935,4.49,6,0.396,0.72,0.995,0.045413268453156054,0.2082191076691111,0.14458399013090262,0.21695737098211226,0.1537934343088205
EOS-3-49391,Cc1csc(-c2nnc(-c3ccc(-c4nnc5cncc(F)n45)c(F)c3)s2)c1,PRPYQNIXSUHKJS-UHFFFAOYSA-N,3,1,0.552,22,844,412.45,4.625,5,0.432,0.69,1.0,0.2854499348913714,0.43382050579124115,0.4786769241313138,0.5514101158248236,0.4373393701596875
EOS-3-49392,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cc2)nc1,FKBICIQSDUZIQN-UHFFFAOYSA-N,3,1,0.406,73,856,404.796,3.498,5,0.454,0.85,1.0,0.3346840518127613,0.523284901651703,0.4613117675279282,0.5644575423206086,0.4709345658282503
EOS-3-49393,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)[nH]c(=N)c2F)cn1,OSJBZNYCCNFEKH-UHFFFAOYSA-N,3,1,0.455,35,352,460.448,3.264,5,0.376,0.55,1.0,0.5022445343019669,0.3587999451716812,0.6968422315125763,0.6109673771502981,0.5422135220341306
EOS-3-49394,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5C)n34)c(Cl)n2)n1,OZHSUWKHGDFYLE-UHFFFAOYSA-N,3,1,0.478,58,271,476.903,4.069,5,0.338,0.64,1.0,0.8171646905626756,0.852666027002947,0.33309060379686106,0.32163662531697623,0.581139486669865
EOS-3-49395,COc1ncc(C)nc1COc1cncc2nnc(-c3ccc(F)nc3-c3ccccc3)n12,KAHORGYHEYVODG-UHFFFAOYSA-N,3,1,0.415,1,700,443.442,3.678,5,0.367,0.51,1.0,0.6266448495648003,0.5648259200877254,0.23465663765334796,0.19630251524912617,0.4056074806387499
EOS-3-49396,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cn2)n[nH]1,AXGCKBATPCAHGW-UHFFFAOYSA-N,3,1,0.292,86,812,409.373,2.083,6,0.458,0.62,1.0,0.2180882050579124,0.15300527722568708,0.0922657802755123,0.09654067575902954,0.13997498457953533
EOS-3-49397,Fc1ccc(-c2nnc3cncc(Oc4ncc(-c5nncs5)cc4F)n23)cc1,IQKAYHJAZSEIBO-UHFFFAOYSA-N,3,1,0.5,13,706,409.381,3.775,5,0.446,0.72,1.0,0.7901960112398053,0.8290555822082105,0.5835018161880612,0.6140943047083819,0.7042119285861147
EOS-3-49398,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cn5)ncn4)n23)nc1,UFBLPHKEFNEAGO-UHFFFAOYSA-N,3,1,0.369,33,53,487.911,3.02,5,0.367,0.65,0.995,0.4302480981426907,0.3443475430059626,0.1792629017887739,0.13840723733808513,0.2730664450688781
EOS-3-49399,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6cncc(Cl)n6)n5)n34)nc2)n1,NJZLKVQEMLSEQQ-UHFFFAOYSA-N,3,1,0.29,86,852,480.883,2.914,6,0.366,0.53,0.728,0.1932612569392091,0.25378658076896715,0.061407717085874856,0.08507813035432801,0.14838342128709478
EOS-3-49400,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)cnn4)n23)c(Cl)c1,BUGGRMPJDBRESD-UHFFFAOYSA-N,3,1,0.489,19,785,483.294,4.106,5,0.356,0.63,1.0,0.7847303132067713,0.797426495785073,0.7019481187033103,0.797272291138373,0.7703443047083819
EOS-3-49401,Cc1cncc(CCOc2cncc3nnc(-c4cc(Cl)c(-c5cccnn5)cc4F)n23)c1F,JIJRMKJSBDTILV-UHFFFAOYSA-N,3,1,0.511,37,265,479.878,4.505,5,0.354,0.65,1.0,0.8715046946747995,0.8787523130697005,0.8402868206428621,0.844416078404496,0.8587399766979645
EOS-3-49402,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1C(F)F,CYJTXQZIOLMDAO-UHFFFAOYSA-N,3,1,0.655,90,305,467.81,5.0,4,0.339,0.64,1.0,0.9628709478445617,0.9754129257761633,0.984913645397848,0.9771177438146803,0.9750788157083133
EOS-3-49403,FC(F)(F)c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc(-c2cnccn2)n1,KSTBCDMAIVOPSR-UHFFFAOYSA-N,3,1,0.556,27,343,484.829,4.29,5,0.364,0.68,1.0,0.8906089370159688,0.9601809334521281,0.8812795558906175,0.8188095401274759,0.8877197416215477
EOS-3-49404,Cc1ncncc1-c1cnnc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ccccn5)c4)n23)c1,FTHRJLFEJYRROR-UHFFFAOYSA-N,3,1,0.279,94,572,477.919,4.729,6,0.358,0.63,0.627,0.2426838462065657,0.4062778425056542,0.6086286066753478,0.6546244260160373,0.47805368035090123
EOS-3-49405,COCC(C)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)cn1,KUVAWENYSBWECB-UHFFFAOYSA-N,3,1,0.352,61,336,449.421,3.874,5,0.385,0.48,0.65,0.43699883489822494,0.5277911041052704,0.832165375916661,0.6951545473236926,0.6230274655609622
EOS-3-49406,CCn1cncc1-c1cccc(-c2nnc3cncc(COC(=O)c4ccc(F)c(Cl)c4)n23)c1,ZPNGTUGZJBMAJZ-UHFFFAOYSA-N,3,1,0.456,14,358,476.899,4.824,5,0.326,0.69,1.0,0.44862415187444316,0.36848913713933246,0.7405592488520321,0.7006459461311767,0.5645796209992461
EOS-3-49407,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5nc(Cl)cs5)s4)n23)cc1,GBEBAAXWUCFMOH-UHFFFAOYSA-N,3,1,0.632,97,232,461.359,5.257,5,0.356,0.66,1.0,0.9226920704543897,0.9289801932698238,0.3514923583030635,0.5382427523816051,0.6853518436022206
EOS-3-49408,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccc(C)n5)s4)n23)cc1,FAXFDRDKTRCUSB-UHFFFAOYSA-N,3,1,0.551,1,268,413.506,5.111,5,0.401,0.82,1.0,0.6468713590569529,0.6035484202590639,0.5438883558357892,0.45208518950037696,0.5615983311630457
EOS-3-49409,Cn1nc(C(F)F)cc1-c1cccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,OHPUNBGVUJDNLK-UHFFFAOYSA-N,3,1,0.54,4,506,467.867,4.757,5,0.358,0.6,1.0,0.462451168528545,0.5988451785347132,0.8532228771160304,0.8059420190528408,0.6801153108080323
EOS-3-49410,CCn1nc(C)nc1-c1cc(COc2cncc3nnc(-c4ccc(C)nc4Cl)n23)ncn1,XLKQHDGFVQVJCF-UHFFFAOYSA-N,3,1,0.41,31,185,462.905,3.104,5,0.35,0.53,1.0,0.24821807963813308,0.38273593310945103,0.024270098005619904,0.027773970255637038,0.17074952025221024
EOS-3-49411,Cc1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)n1,DSPKUMLYUUXADO-UHFFFAOYSA-N,3,1,0.641,19,732,477.355,5.485,5,0.322,0.82,1.0,0.8958947296278528,0.8812881228154342,0.752681447467617,0.8265711740113769,0.8391088684805702
EOS-3-49412,Clc1cccc(CCc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)c1,QNBSATCIKVQDOC-UHFFFAOYSA-N,3,1,0.468,79,824,411.896,5.292,5,0.394,0.86,1.0,0.38557158522376805,0.4779059008978137,0.7711860050716195,0.8533256802138305,0.6219972928517579
EOS-3-49413,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3nnc(-c4nnn(-c5ccccc5F)n4)[nH]3)n12,AMUKLHMVNXPNLI-UHFFFAOYSA-N,3,1,0.33,22,990,477.826,3.151,6,0.41,0.49,0.615,0.12123055308066616,0.46890206291549585,0.28189466109245426,0.52488691659242,0.3492285484202591
EOS-3-49414,CCn1cc(-c2ccc(-c3nnc4cncc(Nc5ccccc5Cl)n34)cc2Cl)cn1,STXGPSSSSPUGHT-UHFFFAOYSA-N,3,1,0.446,96,46,450.333,5.725,5,0.371,0.7,1.0,0.029041875128503872,0.16054417106435473,0.7869063121102049,0.832730792954561,0.4523057878144061
EOS-3-49415,Cc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)ncn2)n1,RIGUREJHICLHKN-UHFFFAOYSA-N,3,1,0.524,44,481,410.441,2.968,5,0.421,0.62,0.992,0.5838958947296279,0.20337879514769377,0.1889777945308752,0.1718696456719896,0.2870305325200466
EOS-3-49416,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)ccn2)cn1,KMICTICRRNAILZ-UHFFFAOYSA-N,3,1,0.488,7,99,411.429,2.629,5,0.43,0.58,1.0,0.36476252484408195,0.2332345281337811,0.132504626139401,0.0764341032143102,0.20173394558289356
EOS-3-49417,Cc1cccc(CCOc2cncc3nnc(-c4ccc(Oc5cccc(Cl)c5)cc4)n23)n1,UOPUJAOMIRBTSE-UHFFFAOYSA-N,3,1,0.575,79,881,457.921,5.562,5,0.318,0.75,1.0,0.9265985881707902,0.9272925090809403,0.7455623329449661,0.7360016448495648,0.8338637687615653
EOS-3-49418,Clc1cc(-c2ccccc2)cc(-c2nnc3cncc(OCCc4ccccc4)n23)c1,FLQSJLWYYZTDDO-UHFFFAOYSA-N,3,1,0.812,79,650,426.907,5.733,5,0.347,0.76,1.0,0.9327239394147077,0.9702727708861627,0.8812881228154342,0.9129000753889384,0.9242962271263108
EOS-3-49419,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnn2)ccc1Cl,HJUSUJHIXHUODB-UHFFFAOYSA-N,3,1,0.528,84,161,465.851,4.196,5,0.371,0.49,1.0,0.9039904735796038,0.9217839764238229,0.8721043794119663,0.8922366527311356,0.8975288705366322
EOS-3-49420,Clc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)c2)cnn1,ADFYGOWIXDXOON-UHFFFAOYSA-N,3,1,0.3,32,20,462.904,5.026,6,0.362,0.58,1.0,0.20437255842642724,0.3102254814611747,0.6831694195051744,0.7411160989651154,0.4847208895894729
EOS-3-49421,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ncc(F)cn1,PPTVEXBVZUMJHI-UHFFFAOYSA-N,3,1,0.415,46,717,467.917,4.639,5,0.359,0.6,0.997,0.6437958330477692,0.6612723596737715,0.2998423685833733,0.35353985333424714,0.4896126036597903
EOS-3-49422,Cc1ccc(Oc2ccc(-c3nnc4cncc(OCc5ccc(C)nc5C)n34)cc2F)cc1,KSZJRDQMKBFLET-UHFFFAOYSA-N,3,1,0.511,1,881,455.493,5.622,5,0.331,0.74,1.0,0.95071448152971,0.7934685765197724,0.8285072990199438,0.7006545130559935,0.8183362175313549
EOS-3-49423,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)ccn2)c1,JXVRFDBCZOZHTO-UHFFFAOYSA-N,3,1,0.461,55,624,420.383,2.839,5,0.404,0.49,1.0,0.734965046946748,0.5794667945994106,0.644498320882736,0.5709084367075594,0.6324596497841135
EOS-3-49424,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)ccn2)nn1,WBGKQRCIYNJLRG-UHFFFAOYSA-N,3,1,0.659,19,360,478.343,4.88,5,0.344,0.7,1.0,0.8421715441025289,0.8174302652319924,0.7121256253855116,0.7435491056130491,0.7788191350832705
EOS-3-49425,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3cnccc3OCC3CCCO3)n12,FZJDZKSKCFVWPW-UHFFFAOYSA-N,3,1,0.265,82,336,482.504,3.272,6,0.341,0.61,1.0,0.20725104516482765,0.00957782194503461,0.209846823384278,0.23149544239599754,0.16454278322253443
EOS-3-49426,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccco5)ncc4Cl)n23)cn1,RHTPRWQWUBHXSV-UHFFFAOYSA-N,3,1,0.452,80,34,485.895,3.869,6,0.346,0.74,1.0,0.5585806318963745,0.5462699609348228,0.18568809540127476,0.1990953327393599,0.372408505242958
EOS-3-49427,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc(Cl)n1,HXDZEJHFJJJMQA-UHFFFAOYSA-N,3,1,0.464,58,132,483.294,4.106,5,0.333,0.67,0.79,0.8198804057295593,0.8428226303885957,0.49929751216503326,0.6255140154890001,0.6968786409430472
EOS-3-49428,CCn1nc(-c2cc(Cl)ccc2Cl)nc1-c1cncc2nnc(-c3ccc(Cl)cn3)n12,RLNSATQVQGEAAE-UHFFFAOYSA-N,3,1,0.309,22,844,471.739,5.092,5,0.363,0.67,1.0,0.1352460420807347,0.2951648276334727,0.3400383798231787,0.660278596395038,0.35768196148310605
EOS-3-49429,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccns5)nc4)n23)cnc1Cl,YWHCWPVDTNCYLW-UHFFFAOYSA-N,3,1,0.482,55,879,439.863,4.076,5,0.381,0.51,1.0,0.7647436776094853,0.759492152696868,0.6502552943595367,0.6632941539305051,0.7094463196490988
EOS-3-49430,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(Cl)s5)nc4)n23)cn1,RTTRJECUTBMNMV-UHFFFAOYSA-N,3,1,0.53,35,76,470.345,4.633,5,0.334,0.63,1.0,0.773207799328353,0.8704166952230827,0.5305153861969707,0.5927969296141457,0.691734202590638
EOS-3-49431,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1cncn1C,BQEPJCNXIJRMPU-UHFFFAOYSA-N,3,1,0.421,46,717,465.439,4.146,5,0.351,0.55,0.228,0.5484373929134397,0.5694606264135426,0.782699952025221,0.7198358577205126,0.655108457268179
EOS-3-49432,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)ccnc1Cl,LVUWXWCHZVAWAM-UHFFFAOYSA-N,3,1,0.593,35,352,452.902,4.724,5,0.347,0.59,1.0,0.8959032965526694,0.9321413885271743,0.7733534370502364,0.7834624083339045,0.8462151326159961
EOS-3-49433,FCc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)ccn2)ccn1,HEQOMWAGMUCVRH-UHFFFAOYSA-N,3,1,0.457,75,183,465.851,4.484,5,0.341,0.58,1.0,0.8421801110273456,0.7329603865396477,0.8387790418751285,0.8168648481940922,0.8076960969090534
EOS-3-49434,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ccccc5)c4)n23)nc1)N1CCCC1,ZZYUHGKFTMZSQV-UHFFFAOYSA-N,3,1,0.358,62,376,480.959,5.41,6,0.344,0.83,0.97,0.15441881982043726,0.27429579878006993,0.07385545884449318,0.35670104859159757,0.21481778150914949
EOS-3-49435,N#Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)c4)n23)cc1,JNWUNYKWWVUVGO-UHFFFAOYSA-N,3,1,0.5,89,805,406.409,3.094,5,0.437,0.77,1.0,0.8669642245219656,0.7376636282639983,0.6236464258789665,0.5771537248989103,0.7013570008909601
EOS-3-49436,Clc1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(-c5cncs5)c4)n23)cc1,POZRSBYNUAFMGY-UHFFFAOYSA-N,3,1,0.623,97,91,455.33,5.196,5,0.339,0.71,1.0,0.9327325063395243,0.9199420875882394,0.8157939825920087,0.8632290453018985,0.8829244054554177
EOS-3-49437,Fc1cccc(COCCCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,YFURZTKWAPIPTJ-UHFFFAOYSA-N,3,1,0.505,11,183,461.522,5.04,5,0.286,0.77,1.0,0.6292834624083339,0.45575183332191077,0.6473939414707697,0.654632992940854,0.5967655575354671
EOS-3-49438,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ccc2F)cc(F)n1,KGHGDZAAAQVQOB-UHFFFAOYSA-N,3,1,0.465,59,153,468.826,4.898,5,0.341,0.63,1.0,0.930522239736824,0.9335120964978412,0.9589901309026112,0.9634020971831951,0.9466066410801179
EOS-3-49439,N#Cc1ncc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)cn1,RVVNTONFSFMIAI-UHFFFAOYSA-N,3,1,0.455,18,181,407.397,2.489,5,0.431,0.71,1.0,0.507299019943801,0.3731666780892331,0.29985093550819,0.2579329723802344,0.3595624014803646
EOS-3-49440,Clc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)ncn2)c1,ILYKTVXCAGEIEJ-UHFFFAOYSA-N,3,1,0.376,13,971,470.707,5.396,5,0.347,0.74,0.996,0.5612792132136248,0.5694691933383592,0.8706994037420328,0.9310276883010075,0.7331188746487561
EOS-3-49441,Cn1ccnc1-c1cc(Cl)cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c1,VUQYLDFEQZQYEM-UHFFFAOYSA-N,3,1,0.488,16,772,470.295,4.612,5,0.349,0.6,1.0,0.6350747035844013,0.6754077856212733,0.8518350352957302,0.8681121924473991,0.757607429237201
EOS-3-49442,Cn1nnnc1-c1cnc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,GOLJIHXCAITFOV-UHFFFAOYSA-N,3,1,0.494,36,728,407.785,1.612,5,0.432,0.74,1.0,0.5280652456994037,0.67541635254609,0.02427866493043657,0.06209307107120828,0.3224633335617846
EOS-3-49443,Clc1cnc(-c2cncnc2)cc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,KDRLTWGZWVWTHM-UHFFFAOYSA-N,3,1,0.418,80,584,483.883,3.056,6,0.375,0.59,1.0,0.6622918237269549,0.705332054005894,0.3628349667603317,0.3567096155164142,0.5217921150023987
EOS-3-49444,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(F)c5)cn4)n23)cc1,KGIJJUGEYJZTKN-UHFFFAOYSA-N,3,1,0.345,69,594,459.488,5.425,6,0.327,0.72,1.0,0.33709992461106164,0.43382907271605786,0.8158025495168254,0.8126327873346584,0.5998410835446508
EOS-3-49445,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)nc4F)n23)n1,DPTVHMIMBLEPEW-UHFFFAOYSA-N,3,1,0.5,58,28,418.392,2.7,5,0.384,0.55,1.0,0.665281680487972,0.564834487012542,0.1296004386265506,0.1048248920567473,0.366135374545953
EOS-3-49446,Cn1nc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)nc1C1CC1,QDJVXMATRZZGOU-UHFFFAOYSA-N,3,1,0.552,4,931,458.913,4.092,6,0.378,0.52,0.993,0.37646494414365017,0.5051744225892674,0.06331814131999178,0.18282674251250772,0.28194606264135424
EOS-3-49447,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccc(Cl)nn5)n4)n23)c(F)c1,JRHXMNARSKKHOA-UHFFFAOYSA-N,3,1,0.31,99,765,486.862,2.688,6,0.365,0.64,0.778,0.2771400178192036,0.41112672195188815,0.1760674388321568,0.2848502501542046,0.28729610718936327
EOS-3-49448,c1ccc(-c2ncsc2COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cc1,SMJNGUPSRWRZIT-UHFFFAOYSA-N,3,1,0.477,12,611,452.503,4.279,6,0.402,0.54,1.0,0.5752861352888767,0.46006956342951133,0.3035775478034405,0.30629326297032416,0.4113066273730382
EOS-3-49449,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4nccs4)cc3F)n12,BXRIQKNACRMMMW-UHFFFAOYSA-N,3,1,0.512,57,146,455.877,5.425,5,0.354,0.74,1.0,0.8942841477623192,0.9379840312521417,0.9351997806867247,0.9459855390309094,0.9283633746830239
EOS-3-49450,COc1cccnc1-c1cc(F)c(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cn4)n23)cn1,NNTMFDBACSHUJX-UHFFFAOYSA-N,3,1,0.333,70,968,481.455,2.649,6,0.362,0.55,0.72,0.28822561853197176,0.3873192378863683,0.1507093413748201,0.13605989993831813,0.24057852443286956
EOS-3-49451,Fc1cc(C(F)F)ccc1-c1nnc2cncc(Cc3ccc(-c4cccs4)cn3)n12,BHWIDEMIAKQUMC-UHFFFAOYSA-N,3,1,0.358,14,81,437.45,5.582,5,0.36,0.7,1.0,0.43930333767390856,0.6035569871838805,0.9510742923720101,0.9475104516482763,0.7353612672195189
EOS-3-49452,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncs5)cc4O)n23)s1,VIUSHBTWKCZMAP-UHFFFAOYSA-N,3,1,0.268,76,865,458.532,4.144,6,0.423,0.49,0.32,0.13525460900555136,0.09499006236721266,0.1957370982112261,0.20525495168254404,0.15780918031663355
EOS-3-49453,COc1cc(F)c(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nnc2F)c(F)c1,BHLSJZIZMYWRQI-UHFFFAOYSA-N,3,1,0.421,20,658,480.41,3.086,5,0.347,0.58,0.708,0.7409447604687821,0.6707816462202728,0.6086371736001644,0.5582379549037078,0.6446503837982318
EOS-3-49454,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccc2F)cn1,DGTCTXVRUCXHTE-UHFFFAOYSA-N,3,1,0.522,35,494,475.459,3.689,5,0.335,0.56,1.0,0.7789904735796038,0.7766945377287369,0.6994208758823932,0.6461431704475361,0.7253122644095674
EOS-3-49455,Fc1cc(-c2cnccn2)ccc1-c1cncc2nnc(-c3cn(C(F)F)cn3)n12,QSIGJJDXRJDJHM-UHFFFAOYSA-N,3,1,0.288,50,243,408.347,3.646,5,0.451,0.71,0.977,0.1988468919196765,0.27947022136933725,0.8786580768967172,0.8681207593722158,0.5562739873894866
EOS-3-49456,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(C(C)C)n4)n23)nc1,LWVHIHAHUZHJQV-UHFFFAOYSA-N,3,1,0.429,63,457,403.446,2.643,4,0.527,0.86,1.0,0.3393615927626619,0.12391200054828319,0.16323418545678844,0.03783153999040505,0.16608482968953464
EOS-3-49457,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)c(F)cn1,ANSLEWYWINCXFI-UHFFFAOYSA-N,3,1,0.415,46,395,457.853,4.215,5,0.365,0.54,0.409,0.6681944349256391,0.6660098690973888,0.7432749640189158,0.7763775615105202,0.7134642073881159
EOS-3-49458,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)ccn2)ccc1Cl,MXWGQTZVVMVJOK-UHFFFAOYSA-N,3,1,0.495,11,132,478.343,4.88,5,0.344,0.69,1.0,0.7618394900966349,0.7974350627098896,0.6831779864299911,0.7590980741553012,0.7503876533479542
EOS-3-49459,Cc1csc(-c2ccc(Oc3cncc4nnc(-c5cc(Cl)c(F)cc5F)n34)cn2)n1,BKHRFIXCSGQYJB-UHFFFAOYSA-N,3,1,0.436,13,573,456.865,5.342,5,0.339,0.76,0.999,0.7500342676992666,0.839387293537112,0.8138749914330752,0.8226046878212597,0.8064753101226783
EOS-3-49460,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)nc5)n34)cn2)cc1,ICXRQMGVYNCIEC-UHFFFAOYSA-N,3,1,0.345,3,673,467.895,5.499,6,0.342,0.72,0.999,0.010828592968268111,0.24389178260571584,0.8836697279144679,0.9237286683572065,0.5155296929614146
EOS-3-49461,CCn1c(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)n(C)n2)nc(C)c1C,DRJBCOMRBBTMBJ-UHFFFAOYSA-N,3,1,0.366,31,851,478.948,3.09,5,0.35,0.58,0.999,0.2072596120896443,0.1813189637447742,0.007324720718250977,0.005688438078267425,0.10039793365773421
EOS-3-49462,Cc1nn(O)cc1-c1ccc(-c2cncc3nnc(-c4cc(F)ccc4Cl)n23)c(Cl)c1,PLUKPVVVXUXBPJ-UHFFFAOYSA-N,3,1,0.338,45,46,455.28,5.313,5,0.373,0.69,0.778,0.36477109176889866,0.5186501953258859,0.9298283188266739,0.9515968747858269,0.6912116201768214
EOS-3-49463,COc1ncc(-c2nnnn2C)cc1-c1cncc2nnc(-c3nc(C)ncc3-c3cccnc3)n12,ZKQFSHCIBZVNON-UHFFFAOYSA-N,3,1,0.263,86,899,478.48,2.213,6,0.359,0.53,1.0,0.1031800424919471,0.06031115070934138,0.03616955657597149,0.02671167157837023,0.056593105338907546
EOS-3-49464,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2Cl)cn1,CYRBQKZRJYFSDE-UHFFFAOYSA-N,3,1,0.563,35,426,478.343,4.88,5,0.321,0.71,1.0,0.9200877253101227,0.9503118360633267,0.7225173051881296,0.7514135425947502,0.8360826022890824
EOS-3-49465,Fc1cc(-c2nnc3cncc(OCc4nccc(-c5nccs5)n4)n23)ccc1C(F)F,HUQXUMVCGUEHLI-UHFFFAOYSA-N,3,1,0.456,24,335,455.425,4.361,5,0.376,0.57,1.0,0.8515180590775135,0.8557415530121307,0.7405678157768487,0.6923788636830923,0.7850515728873964
EOS-3-49466,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)nn2C)s1,ZEIBKNCQVIVFBN-UHFFFAOYSA-N,3,1,0.413,95,956,458.334,5.056,5,0.375,0.66,1.0,0.2720769652525529,0.37317524501404975,0.464849907477212,0.5771622918237269,0.4218161023918854
EOS-3-49467,Cc1c(F)cnc(COc2cncc3nnc(-c4ccc(-c5cccnn5)c(Cl)n4)n23)c1F,IBMCTCBINMZTMW-UHFFFAOYSA-N,3,1,0.392,46,223,466.839,3.857,5,0.36,0.51,1.0,0.618163593996299,0.6133232814748818,0.6236549928037831,0.6403690631211021,0.6238777328490165
EOS-3-49468,Clc1ccc(-c2nnc3cncc(OCc4cnn(-c5cnc(Cl)c(Cl)c5)c4)n23)cc1,SDJUGOUKOICQRR-UHFFFAOYSA-N,3,1,0.6,34,772,472.723,4.911,5,0.338,0.71,1.0,0.5957182509766294,0.7724453430196696,0.8650538002878487,0.9172435062709889,0.7876152251387842
EOS-3-49469,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)n1,JBMJUKMBQJQTMU-UHFFFAOYSA-N,3,1,0.426,87,132,466.839,3.591,5,0.35,0.5,1.0,0.7292166403947639,0.7893136179836886,0.580177849359194,0.6489788225618532,0.686921732574875
EOS-3-49470,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)c(Br)cc4Cl)n23)nc1,ONTPALQKGOHZNI-UHFFFAOYSA-N,3,1,0.443,90,244,491.708,3.68,4,0.428,0.74,0.989,0.6041738057706806,0.5553594681653073,0.7504197793160168,0.7006630799808101,0.6526540333082037
EOS-3-49471,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)cs1,ZROGIAXGFDIHPN-UHFFFAOYSA-N,3,1,0.524,4,31,439.953,5.517,5,0.361,0.71,1.0,0.6209307107120828,0.6754249194709068,0.5707285312864094,0.5806575971489274,0.6119354396545815
EOS-3-49472,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)c5)cc4)n23)cn1,HFOGTAGIVUAHRS-UHFFFAOYSA-N,3,1,0.369,62,341,484.922,5.205,6,0.37,0.81,1.0,0.37865807689671716,0.4470221369337263,0.6722037557398396,0.79943972311699,0.5743309231718182
EOS-3-49473,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cc(C(F)F)nn5C)n4)n23)cc1,VQECTTGVSZBSJU-UHFFFAOYSA-N,3,1,0.378,14,476,465.895,5.077,5,0.362,0.63,1.0,0.31218730724419164,0.42917723254060725,0.7640754574737852,0.7463590569529162,0.5629497635528751
EOS-3-49474,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ncnn4CCc4ccc(Cl)nc4)n23)cn1,BYZSVEHIFRDSJD-UHFFFAOYSA-N,3,1,0.302,99,968,483.927,3.136,6,0.331,0.68,0.993,0.10568158453841409,0.18552532382975806,0.10982797614968132,0.1663611130148722,0.1418489993831814
EOS-3-49475,FC(F)(F)c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cc1,MGXBOSCZAIAWKY-UHFFFAOYSA-N,3,1,0.287,30,158,485.433,4.515,6,0.362,0.73,0.993,0.035098690973888014,0.18132753066959084,0.857771914193681,0.8407408676581455,0.47873475087382633
EOS-3-49476,COCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)cnn2)cc1F,DWWWLVBLBUGTAH-UHFFFAOYSA-N,3,1,0.419,65,778,459.445,2.34,5,0.341,0.46,1.0,0.5354756356658213,0.442438832156809,0.17927146871359056,0.15306524569940375,0.32756279555890616
EOS-3-49477,Cc1ccc(-c2nnc3cncc(OCc4ccc(OCc5ccc(F)c(CF)n5)cn4)n23)nc1,DRHOUHXUZXQKMR-UHFFFAOYSA-N,3,1,0.406,4,122,475.459,4.051,5,0.331,0.63,1.0,0.7168031663354122,0.6707902131450895,0.5438969227606059,0.4204561030772394,0.5879866013295867
EOS-3-49478,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c1Cl,PKXJLQOCXNYKIK-UHFFFAOYSA-N,3,1,0.55,24,912,455.33,5.196,5,0.363,0.67,1.0,0.7136505380028785,0.7098896580083613,0.7640840243986019,0.8245665136042766,0.7530476835035296
EOS-3-49479,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)c(Cl)c1,JKXASOGTTWFFIX-UHFFFAOYSA-N,3,1,0.489,59,526,468.826,4.898,5,0.341,0.65,1.0,0.8095229936262079,0.927301076005757,0.9499091905969433,0.960386539647728,0.9117799499691591
EOS-3-49480,CCc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ccc1-c1cnc(C)s1,AUZLOVFRKLHADW-UHFFFAOYSA-N,3,1,0.444,44,16,464.501,5.038,5,0.35,0.68,0.986,0.5280738126242204,0.569477760263176,0.5707370982112261,0.5418579946542389,0.5525366664382153
EOS-3-49481,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cncs4)cc3F)n12,CGFZRIIRVQTCBJ-UHFFFAOYSA-N,3,1,0.482,97,89,456.865,4.82,5,0.353,0.64,1.0,0.8831642793502844,0.8945411555068192,0.9056181892947708,0.9119234459598382,0.8988117675279282
EOS-3-49482,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)nc2)ccn1,XDPOLEKPVBXFFF-UHFFFAOYSA-N,3,1,0.451,1,676,466.398,4.985,5,0.268,0.79,1.0,0.8647710917688987,0.8252090329655267,0.9903964772805154,0.9775546569803304,0.9144828147488178
EOS-3-49483,Fc1ccc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)cn1,QNBCNWNJCYLTNK-UHFFFAOYSA-N,3,1,0.405,96,46,436.372,5.131,5,0.289,0.75,0.971,0.38786752107463507,0.6413114248509355,0.9809642930573641,0.977126310739497,0.746817387430608
EOS-3-49484,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ncc(C)nc4Cl)n23)c1,MVQIWGBYGIFREV-UHFFFAOYSA-N,3,1,0.444,26,448,478.919,4.187,5,0.346,0.62,1.0,0.46733431567404565,0.48191522171201423,0.3477743129326297,0.3697570420121993,0.4166952230827222
EOS-3-49485,CCn1cc(-c2cncc3nnc(-c4ccc(-c5nncn5C)cc4)n23)c(-c2ccc(F)c(F)c2)n1,FEGNGTUREXCWHT-UHFFFAOYSA-N,3,1,0.321,67,642,483.486,4.415,6,0.361,0.68,1.0,0.22074395175107944,0.3537625933794805,0.5542457679391406,0.5709170036323761,0.42491732917551917
EOS-3-49486,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4ncc(-c5nncs5)o4)n23)cc1,LTHGRXBIEDWEAN-UHFFFAOYSA-N,3,1,0.421,39,972,473.453,3.473,6,0.354,0.6,1.0,0.5867915153176616,0.5694863271879926,0.12960900555136728,0.18010246042080735,0.36649732711945726
EOS-3-49487,Cc1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)cc5)nc4-c4cnc(F)cn4)n23)nc1,NRBGCLGPYCXNNC-UHFFFAOYSA-N,3,1,0.345,39,72,480.442,3.749,6,0.371,0.55,0.865,0.30433143718730726,0.48192378863683094,0.31827839078884246,0.41080974573367146,0.37883584058666303
EOS-3-49488,Clc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccnnc5)cnc4Cl)n23)n1,PDUVWHJMZRQBIO-UHFFFAOYSA-N,3,1,0.429,65,795,466.292,3.362,5,0.274,0.62,1.0,0.5612877801384415,0.6707987800699061,0.32915838530601055,0.43621924473990814,0.4993660475635665
EOS-3-49489,COCc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)cn1,SFVFKEHGNFSCSA-UHFFFAOYSA-N,3,1,0.39,31,296,475.9,2.855,5,0.309,0.59,0.998,0.4486327187992598,0.305085326571174,0.24519395517784937,0.22871975875539716,0.3069079398259201
EOS-3-49490,Fc1cccc(-c2ccccc2-c2nnc3cncc(-c4cnc(-c5cccc(F)n5)cn4)n23)c1,GXPGDUWOQIVFQR-UHFFFAOYSA-N,3,1,0.38,30,93,463.451,5.256,6,0.332,0.68,1.0,0.31475738468919195,0.4557604002467274,0.817515934480159,0.8632376122267151,0.6128178329106984
EOS-3-49491,Cc1ncncc1-c1cc(COc2cncc3nnc(-c4ccnc(-c5nccn5C)c4)n23)ncn1,JNHWJWSHDAOBBA-UHFFFAOYSA-N,3,1,0.416,80,34,477.492,2.721,6,0.352,0.52,1.0,0.2317438832156809,0.13784182030018505,0.13867281200740184,0.08508669727914468,0.1483363032006031
EOS-3-49492,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccnc(Cl)c6)n5)n34)nc2)n1C,WJKZZYMQPYFYFG-UHFFFAOYSA-N,3,1,0.267,86,852,481.911,3.463,6,0.348,0.61,0.639,0.16801452950448906,0.21807107120827907,0.1632427523816051,0.1771040367349736,0.1816080974573367
EOS-3-49493,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)o2)nc1F,BLCPCQVNWLRSPV-UHFFFAOYSA-N,3,1,0.313,76,368,460.429,4.305,6,0.358,0.51,1.0,0.32986087314097734,0.35377116030429717,0.30358611472825714,0.360016448495648,0.3368086491672949
EOS-3-49494,Cc1nccc(CCOc2cncc3nnc(-c4cnnc(-c5cccnn5)c4)n23)n1,DYGIESVDKUUXAF-UHFFFAOYSA-N,3,1,0.462,53,778,412.417,1.758,5,0.406,0.58,0.997,0.5670790213145089,0.3491621547529299,0.05000514015489,0.04167808923308889,0.25198110136385443
EOS-3-49495,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ccc(F)nc5)nc4)n23)cc1,PLEVSDWRXPAXON-UHFFFAOYSA-N,3,1,0.4,14,886,410.456,4.481,5,0.4,0.77,1.0,0.40955897471043795,0.505182989514084,0.6939808786238092,0.677815091494757,0.5716344835857721
EOS-3-49496,c1cnn(-c2nccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)n2)c1,VJRPGKDDHGCHOS-UHFFFAOYSA-N,3,1,0.253,86,812,407.401,2.219,6,0.471,0.69,1.0,0.021254540470152836,0.015069220752518675,0.08518950037694469,0.08509526420396135,0.05165213145089439
EOS-3-49497,CCCc1ncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4OC)n23)nn1,HAUUTOAFPXZZFA-UHFFFAOYSA-N,3,1,0.38,7,456,456.47,2.368,5,0.34,0.48,0.998,0.3121958741690083,0.13416660955383455,0.013030292646151737,0.006013981221300802,0.11635168939757384
EOS-3-49498,CCc1nc(-c2nncn2C)ccc1-c1cncc2nnc(-c3cccnc3-c3cnccn3)n12,QAQXYABFZKKTEP-UHFFFAOYSA-N,3,1,0.25,86,812,461.493,3.063,6,0.381,0.48,0.942,0.07714515797409362,0.02916181207593722,0.05001370707970667,0.05331197313412377,0.052408162565965324
EOS-3-49499,Cc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)n1,AJTNROLUZHJKFF-UHFFFAOYSA-N,3,1,0.525,11,846,409.453,3.573,5,0.423,0.68,1.0,0.6955486258652595,0.44244739908162567,0.2595092865465013,0.25505448564183403,0.4131399492838051
EOS-3-49500,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccncc5C)n34)ncn2)nn1,WLADYRUZRDGJHC-UHFFFAOYSA-N,3,1,0.436,53,587,411.429,2.629,5,0.43,0.57,0.979,0.25876396408745117,0.1378503872250017,0.14747961071893634,0.09866527311356316,0.16068980878623806
EOS-3-49501,COc1ncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cccc(C)c1,BXNYTAVCRAQUGU-UHFFFAOYSA-N,3,1,0.46,11,848,472.936,4.84,5,0.313,0.73,1.0,0.6292920293331505,0.6951545473236926,0.5741638681378932,0.508095743951751,0.6016765471866219
EOS-3-49502,COc1ncc(-c2nnc3cccc(F)n23)nc1-c1cncc2nnc(-c3ccc(C(N)=O)cn3)n12,SYFSJVYBSPPCQM-UHFFFAOYSA-N,3,1,0.284,33,432,483.427,1.6,6,0.356,0.58,0.712,0.39448975395791924,0.289947570420122,0.04325440339935577,0.04676684257418957,0.19361464258789668
EOS-3-49503,COc1ncc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cncc(F)c1,AKQXVSQVWQNWOQ-UHFFFAOYSA-N,3,1,0.438,87,173,477.887,4.066,5,0.323,0.66,1.0,0.7530326913851004,0.7682818175587691,0.5897556713042287,0.5582465218285244,0.6673291755191556
EOS-3-49504,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c(F)c1,VFFKVLZGKSWRFB-UHFFFAOYSA-N,3,1,0.314,32,693,477.507,4.641,6,0.357,0.63,1.0,0.23468233842779795,0.27947878829415396,0.2558340758001508,0.2936399150161058,0.2659087793845521
EOS-3-49505,CCc1cccc(-c2cncc(-c3nnc4cncc(OCc5ccns5)n34)c2)n1,SCPNJFFBJZJBCB-UHFFFAOYSA-N,3,1,0.472,2,879,415.482,3.846,5,0.416,0.6,1.0,0.30948872592694127,0.3102340483859914,0.22358817079021315,0.18283530943732437,0.2565365636351175
EOS-3-49506,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccnc(-c4ncc(Cl)cn4)c3)n12,GDRZRIXCYCVRAN-UHFFFAOYSA-N,3,1,0.473,75,263,483.294,4.106,5,0.356,0.64,1.0,0.8991758618326365,0.8526745939277637,0.5406414913302721,0.6431104790624358,0.7339006065382769
EOS-3-49507,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncnc5)n34)nn2C)s1,SIVILFWSOAQABH-UHFFFAOYSA-N,3,1,0.429,31,569,419.474,2.368,5,0.413,0.5,1.0,0.19059694332122543,0.0417294907819889,0.03617812350078816,0.025854979096703447,0.07358988417517648
EOS-3-49508,Fc1cnc(Cl)c(OCc2cncc3nnc(-c4cncc(-c5cccc(F)n5)c4)n23)c1,DOCWEKVUVZDPBY-UHFFFAOYSA-N,3,1,0.337,2,767,451.824,4.154,5,0.371,0.49,1.0,0.6041823726954972,0.6708073469947228,0.8229816325131931,0.8347525872112946,0.733180984853677
EOS-3-49509,Cc1nc(-c2cc(Cl)ccc2-c2nnc3cncc(-c4cccc(-c5nncn5C)n4)n23)n(C)n1,MLXJUWANXOYKHB-UHFFFAOYSA-N,3,1,0.318,99,259,483.927,3.406,6,0.374,0.59,0.772,0.13267596463573436,0.30009937632787337,0.07386402576930985,0.1209564114865328,0.15689894455486258
EOS-3-49510,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5nnco5)nn4)n23)cc1,YSPJHUMXBOUIOE-UHFFFAOYSA-N,3,1,0.577,72,226,406.793,2.864,5,0.434,0.74,1.0,0.7618480570214515,0.8812966897402509,0.25584264272496743,0.3407237338085121,0.5599277808237955
EOS-3-49511,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(C(F)F)cc5C)ncc4F)n23)nn1,KXXPKERWAYWPOQ-UHFFFAOYSA-N,3,1,0.379,53,785,479.426,3.706,5,0.359,0.56,0.864,0.6380388595709684,0.6805822082105407,0.5272342539921869,0.43310945103145776,0.5697411932012885
EOS-3-49512,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc(C(F)F)c2)n1,YCEOTVQHNKJCAI-UHFFFAOYSA-N,3,1,0.523,27,677,480.866,4.517,5,0.349,0.68,1.0,0.5380114454115551,0.6754334863957234,0.795156260708656,0.7643495990679186,0.6932376978959632
EOS-3-49513,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccccc5Cl)on4)n23)c(F)cn1,LREMIJUEZRZKMB-UHFFFAOYSA-N,3,1,0.418,59,153,440.797,4.352,5,0.375,0.55,1.0,0.6409344801590021,0.5510160372832568,0.8607703378795147,0.8922452196559523,0.7362415187444316
EOS-3-49514,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ccccc5F)cn4)n23)ccc1Cl,VOPKVZLANSDCTA-UHFFFAOYSA-N,3,1,0.573,57,709,445.885,5.533,5,0.355,0.72,1.0,0.8735950243300665,0.9379925981769583,0.9328781440614077,0.9369388664245083,0.9203511582482352
EOS-3-49515,Fc1ccc(OCc2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)cc4)n23)c(F)c1,IKUUSOSCTCYRAL-UHFFFAOYSA-N,3,1,0.483,83,853,450.395,5.594,5,0.328,0.74,1.0,0.910227194846138,0.9408710849153588,0.9907048865739154,0.9931464601466657,0.9587374066205194
EOS-3-49516,CC(C)(O)c1cnc(-c2nnc3cncc(Cc4ccnc(-c5cc[nH]n5)c4)n23)cn1,QANFTHADMWNQDX-UHFFFAOYSA-N,3,1,0.269,85,60,413.445,2.185,5,0.448,0.6,0.964,0.13268453156055102,0.1202367898019327,0.27023507641696937,0.12956617092728395,0.16318064217668427
EOS-3-49517,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)nnc1Cl,DXRHAHWIOOUDQN-UHFFFAOYSA-N,3,1,0.505,11,132,482.306,4.711,5,0.346,0.7,1.0,0.9279007607429237,0.9365790555822082,0.7146100335823453,0.8102083476115414,0.8473245493797548
EOS-3-49518,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)nn4)ccn3)n12,BQGSTXBDIYIXLK-UHFFFAOYSA-N,3,1,0.478,19,692,482.306,4.711,5,0.346,0.7,1.0,0.7959444177917895,0.7934771434445891,0.8077582071139744,0.8617983688575149,0.8147445343019669
EOS-3-49519,COc1ncc(-c2nnc3cncc(OCc4cc(Cl)nc(Cl)c4)n23)cc1-c1cncn1C,OGGWIOXDPORJNJ-UHFFFAOYSA-N,3,1,0.461,55,565,483.319,3.876,5,0.335,0.71,1.0,0.528082379549037,0.4645500651086286,0.5638835583578918,0.5015249126173669,0.5145102289082311
EOS-3-49520,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(OCc5cccc(F)c5)c4)n23)cc1,DAOGSRYWFLHQIN-UHFFFAOYSA-N,3,1,0.461,79,397,487.922,4.853,5,0.354,0.86,1.0,0.5928054965389624,0.6035655541086972,0.9067147556713042,0.8798060448221506,0.7457229627852786
EOS-3-49521,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)n1,KMICNWFIUIQVSE-UHFFFAOYSA-N,3,1,0.436,44,488,467.386,4.087,5,0.284,0.63,1.0,0.8445017476526626,0.7637499143307518,0.8636488246179151,0.860119251593448,0.8330049345486944
EOS-3-49522,Clc1cncc(CCOc2cncc3nnc(-c4cnnc(-c5ccc(Cl)nc5)c4)n23)c1,DXWDGRKDDICUDW-UHFFFAOYSA-N,3,1,0.485,65,778,465.304,3.967,5,0.347,0.51,1.0,0.7678020697690358,0.8325166198341444,0.6146597217462819,0.6978445617161264,0.7282057432663971
EOS-3-49523,Cc1ccc(-c2ncc(F)c(F)n2)cc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)cc3)n12,IZMRQOZKSQGTRG-UHFFFAOYSA-N,3,1,0.322,9,867,466.455,4.892,6,0.372,0.59,1.0,0.3465749434582962,0.3295267630731273,0.7780309780001371,0.7489377013227332,0.5507675964635734
EOS-3-49524,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5Cl)n34)ccn2)s1,HESVSTXHXIQIEF-UHFFFAOYSA-N,3,1,0.634,84,583,466.929,5.032,5,0.349,0.66,1.0,0.8278476458090603,0.8096172297991913,0.6445068878075526,0.6689568912343226,0.7377321636625317
EOS-3-49525,COc1cc(-c2nnc3cncc(OCc4nc(C(F)F)cs4)n23)ccc1-c1cnccn1,SRDCOJCWSQUKFF-UHFFFAOYSA-N,3,1,0.506,27,248,467.461,4.23,5,0.351,0.6,1.0,0.5585891988211912,0.6367281200740182,0.6115413611130148,0.442438832156809,0.5623243780412583
EOS-3-49526,Cc1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,KUBWWHRWLYGTBF-UHFFFAOYSA-N,3,1,0.421,63,108,401.43,2.361,5,0.528,0.94,1.0,0.2454252621478994,0.0822596120896443,0.055693578233157424,0.056164759098074155,0.10988580289219381
EOS-3-49527,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4cnc(-c5ccc(F)cc5F)nc4)n23)nc1,UENBPNGNZGSIRZ-UHFFFAOYSA-N,3,1,0.409,42,318,483.442,4.114,6,0.36,0.67,1.0,0.6743797546432733,0.6562435748063875,0.5801864162840107,0.5450962922349394,0.6139765094921528
EOS-3-49528,Cn1ncnc1-c1nccnc1COc1cncc2nnc(-c3ccc(C#N)cc3)n12,SAFQNKFOHXIXJI-UHFFFAOYSA-N,3,1,0.506,36,45,410.401,1.827,5,0.425,0.6,1.0,0.4723888013158796,0.40628640943047084,0.09942772942224659,0.12096497841134946,0.27476697964498664
EOS-3-49529,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5F)cc4)n23)c(Cl)n1,LGIUHPCTLJCLIJ-UHFFFAOYSA-N,3,1,0.346,83,558,433.849,5.76,5,0.339,0.78,1.0,0.3878760879994517,0.5943646768555959,0.9625711054759784,0.9733654307449798,0.7295443252690015
EOS-3-49530,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cc1,ZJTWQSDGGVXFEB-UHFFFAOYSA-N,3,1,0.355,69,695,444.473,5.721,6,0.348,0.72,1.0,0.280147008429854,0.4202676307312727,0.8247549859502433,0.8649852648893154,0.5975387225001714
EOS-3-49531,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nn[nH]n6)nc5)n34)cn2)cc1,YQYVSZAWVCKQMS-UHFFFAOYSA-N,3,1,0.287,10,195,407.401,2.219,6,0.471,0.73,0.728,0.0095007196216846,0.04173805770680557,0.15071790829963677,0.19104242341169214,0.09824977725995476
EOS-3-49533,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)ccc1-c1ccccc1,PPBSEQKVVRWQAL-UHFFFAOYSA-N,3,1,0.64,79,480,428.879,5.913,5,0.348,0.83,1.0,0.8851946405318347,0.832525186758961,0.9153159481872387,0.9107669111095881,0.8859506716469056
EOS-3-49534,Cc1cn(C)c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)n1,GDEMQWQXVWOHTK-UHFFFAOYSA-N,3,1,0.379,21,810,442.526,5.834,6,0.344,0.79,1.0,0.20151977246247688,0.11115584949626482,0.7171801110273456,0.7170601740799123,0.4367289767664999
EOS-3-49535,Fc1cc(F)cc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)c1,DYCATABVICNBNQ-UHFFFAOYSA-N,3,1,0.636,73,212,408.328,2.488,5,0.432,0.69,1.0,0.570094578849976,0.5186587622507025,0.4253735179220067,0.45512644781029404,0.4923133267082448
EOS-3-49536,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn[nH]c5-c5ccc(Cl)cn5)n34)nc2)cs1,QUUXBPWWNMJQSA-UHFFFAOYSA-N,3,1,0.276,70,392,471.937,4.724,6,0.396,0.59,0.993,0.16541875128503872,0.29517339455828934,0.3816907682818176,0.4391662668768419,0.32036229525049686
EOS-3-49537,Cc1nc(-c2ccc(-c3nnc4cncc(Cc5cccc(Cl)n5)n34)cc2Cl)cs1,TWMBTNNUZJOFBN-UHFFFAOYSA-N,3,1,0.385,14,358,453.358,5.516,5,0.336,0.76,1.0,0.3488194777602632,0.4062949763552875,0.6752193132753067,0.7740816256596532,0.5511038482626276
EOS-3-49538,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccc5F)ncn4)n23)ccc1Cl,AMYMQAQJSNELHU-UHFFFAOYSA-N,3,1,0.495,34,929,464.863,5.067,5,0.361,0.62,1.0,0.8692087588239326,0.9523336303200604,0.9313874991433075,0.934343088205058,0.9218182441230897
EOS-3-49539,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)nc5)n34)s2)cc1,PGZQVYCDWQPROH-UHFFFAOYSA-N,3,1,0.343,32,126,422.473,5.237,6,0.387,0.65,1.0,0.14897882256185319,0.21807963813309575,0.5172109519566856,0.5547940511274073,0.35976586594476045
EOS-3-49540,FC(F)(F)c1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)cn1,ARARKQDAFNKSGK-UHFFFAOYSA-N,3,1,0.529,27,675,483.841,4.895,5,0.351,0.76,1.0,0.9132770200808717,0.9660835446508121,0.9666660955383456,0.9326040024672744,0.944657665684326
EOS-3-49541,OCc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)n1,SOOPQHHXFIEUMS-UHFFFAOYSA-N,3,1,0.4,18,181,478.875,2.945,5,0.376,0.54,1.0,0.487183880474265,0.43826673977109176,0.3035946816530738,0.3762850387225002,0.4013325851552326
EOS-3-49542,COCc1cc(=O)[nH]c(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cn2)n1,PVOPQYDSRRABHK-UHFFFAOYSA-N,3,1,0.585,84,73,473.468,2.844,5,0.365,0.57,0.999,0.4415307381262422,0.40630354328010415,0.43626207936399153,0.38914399287231854,0.41831008841066414
EOS-3-49543,Cn1cc(-c2ccc(-c3cncc4nnc(-c5nc(-c6nncn6C)ccc5Cl)n34)c(F)c2)nn1,HHWQAPZHJCNMON-UHFFFAOYSA-N,3,1,0.264,99,314,487.89,3.237,6,0.372,0.67,0.99,0.09329381125351244,0.2847046124323213,0.23817764375299844,0.35034439037763004,0.24163011445411553
EOS-3-49544,CCCOc1nc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)c2)n[nH]1,PRWLAISTACNBLP-UHFFFAOYSA-N,3,1,0.464,47,921,464.436,3.617,5,0.37,0.55,1.0,0.5198752655746693,0.3966571859365362,0.40736584195737097,0.34713179357137963,0.41775752175998904
EOS-3-49545,Cc1csc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)n1,JUIMZMADELAKSV-UHFFFAOYSA-N,3,1,0.582,57,951,451.914,5.595,5,0.348,0.79,1.0,0.9240799122746899,0.9435953670070591,0.8387876087999452,0.842634158042629,0.8872742615310808
EOS-3-49546,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c(F)c2)ccn1,BJJDSJVZIBYPAO-UHFFFAOYSA-N,3,1,0.477,13,145,449.848,5.886,5,0.342,0.81,1.0,0.8515266260023302,0.9217925433486396,0.9686279213213624,0.9695959838256459,0.9278857686244946
EOS-3-49547,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5cncnc5-c5cncc(Cl)c5)n34)n2)nc1,NICPZXQXPRPMSF-UHFFFAOYSA-N,3,1,0.27,94,902,482.87,3.955,6,0.367,0.62,0.778,0.30159002124597356,0.3731838119388664,0.39268213282160236,0.494996915907066,0.39061322047837704
EOS-3-49548,COc1nn(C(F)F)cc1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,BWONEYPLXKKZPR-UHFFFAOYSA-N,3,1,0.59,90,255,408.315,3.249,4,0.456,0.74,1.0,0.638047426495785,0.7236652731135631,0.8812966897402509,0.7950877253101227,0.7595242786649304
EOS-3-49549,Cc1c(Cl)ncnc1-c1cccc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)c1,OBKAGYHERKCJOT-UHFFFAOYSA-N,3,1,0.462,55,434,465.304,4.233,5,0.281,0.68,1.0,0.7500428346240834,0.7467188677952162,0.5604996230553081,0.5866630114454116,0.6609810842300048
EOS-3-49550,Cc1ncnc(-c2ncc(Cl)cn2)c1-c1nnc2cncc(-c3ccc(-c4cnn(C)c4)cc3)n12,FNLPWQVNRMQTSF-UHFFFAOYSA-N,3,1,0.27,42,856,480.923,4.068,6,0.371,0.6,1.0,0.11039339318758139,0.20822767459392777,0.2525700774450003,0.31553697484750876,0.22168203001850456
EOS-3-49551,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(Cl)cn4)n23)nc1,BUDRKWXKIUBLIB-UHFFFAOYSA-N,3,1,0.434,87,814,485.31,4.049,5,0.358,0.69,1.0,0.7321379617572477,0.6463916112672196,0.5605081899801247,0.6255225824138168,0.6411400863546022
EOS-3-49552,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)nc1,WQNKROPGOFIIRA-UHFFFAOYSA-N,3,1,0.34,41,318,480.919,5.095,6,0.339,0.79,1.0,0.5354842025906381,0.5369405798094716,0.5995819340689467,0.6141028716331985,0.5715273970255638
EOS-3-49553,c1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)c1,WWTHJDYRAZBWBO-UHFFFAOYSA-N,3,1,0.282,98,973,409.373,1.879,6,0.424,0.65,1.0,0.06013981221300802,0.04174662463162223,0.051744225892673565,0.07252758549790966,0.056539562058803366
EOS-3-49554,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cc(C(F)(F)F)nc(Cl)n4)n23)cc1F,KQQVAFWFWJGUER-UHFFFAOYSA-N,3,1,0.345,50,542,475.797,3.855,5,0.288,0.68,1.0,0.25585120964978414,0.5186673291755192,0.9023541909396203,0.8426427249674456,0.6298788636830923
EOS-3-49555,COc1ccc(-c2nc(C)sc2-c2nnc3cncc(-c4nnc(-c5cccnc5)n4C)n23)cn1,RMQXJGIKHHHAMN-UHFFFAOYSA-N,3,1,0.286,8,754,482.533,3.484,6,0.363,0.63,0.979,0.08165992735247755,0.09176889863614557,0.025435199780686726,0.020817627304502775,0.054920413268453164
EOS-3-49556,Cc1ncc(-c2ccc(-c3nnc4cncc(Cc5cnc(-c6ccnnc6)cc5F)n34)cc2)n1C,KALKBNJBWZPXOR-UHFFFAOYSA-N,3,1,0.369,42,725,477.507,4.082,6,0.369,0.54,1.0,0.34180316633541225,0.2743043657048866,0.5638921252827085,0.49500548283188267,0.4187512850387225
EOS-3-49557,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)cn1,FXDPZBXJFVYXAT-UHFFFAOYSA-N,3,1,0.458,65,658,415.392,2.194,5,0.385,0.53,0.999,0.6011925159344802,0.6318107052292509,0.26677403879103556,0.2698495648002193,0.44240670618874645
EOS-3-49558,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccccc5Cl)c4)n23)nnc1Cl,FCMFZXYWSLKXTO-UHFFFAOYSA-N,3,1,0.506,84,884,482.306,4.711,5,0.346,0.72,1.0,0.7819289287917209,0.8526831608525803,0.747961071893633,0.8499503118360633,0.8081308683434995
EOS-3-49559,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccc2F)s1,SDYQRHYDODVLEG-UHFFFAOYSA-N,3,1,0.511,11,639,466.929,5.032,5,0.326,0.71,1.0,0.8647796586937153,0.9102700294702214,0.6383301350147351,0.6602871633198547,0.7684167466246317
EOS-3-49560,CCCCOc1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5F)cn4)n23)cn1,GYENWZIQZGHDOQ-UHFFFAOYSA-N,3,1,0.32,82,845,442.458,4.023,5,0.275,0.66,1.0,0.5304725515728874,0.6318192721540675,0.2489120005482832,0.22872832568021384,0.409983037488863
EOS-3-49561,COCc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cc(C)n[nH]4)n23)n1,ZCFMVZPFBVIXIB-UHFFFAOYSA-N,3,1,0.362,31,330,461.461,2.582,5,0.371,0.51,0.981,0.35322287711603045,0.22345966691796312,0.10983654307449797,0.09263415804262902,0.19478831128778012
EOS-3-49562,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cs1,YWWBEYACEVERMS-UHFFFAOYSA-N,3,1,0.488,13,145,437.887,5.808,5,0.355,0.83,1.0,0.7260468782125968,0.7423497361387157,0.8592711260365979,0.8665358782811322,0.7985509046672606
EOS-3-49563,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cnn2)c1,ZXQIZQKJGNXWNI-UHFFFAOYSA-N,3,1,0.5,34,469,451.824,4.154,5,0.396,0.45,1.0,0.635083270509218,0.7808751970392708,0.8623552189705983,0.8922537865807689,0.7926418682749639
EOS-3-49564,Clc1cc(-c2nnc3cncc(OCc4cncs4)n23)cc(-c2cc[nH]n2)n1,KYUMLRFXYZXSFG-UHFFFAOYSA-N,3,1,0.451,55,256,410.85,3.265,5,0.443,0.64,0.997,0.5380200123363718,0.5794753615242273,0.292603317113289,0.3311544787882941,0.4353132924405455
EOS-3-49565,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)c(F)c2)n1,WRWQCMMTTAHAEP-UHFFFAOYSA-N,3,1,0.435,80,870,479.479,4.284,6,0.36,0.62,1.0,0.5957268179014461,0.5847782879857446,0.4786854910561305,0.3982077993283531,0.5143495990679186
EOS-3-49566,Cn1cc(-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)cc1COc1ccc(F)cn1,HZVSRSZKDCTIFZ-UHFFFAOYSA-N,3,1,0.318,3,787,478.491,4.367,6,0.351,0.66,1.0,0.4095675416352546,0.4911932012884655,0.7121341923103283,0.6283153999040504,0.5603025837845247
EOS-3-49567,Cc1cc(-c2nnc3cncc(COc4ncc(F)cc4Cl)n23)cc(-c2cnc(F)c(C)c2)n1,QKOOVNIAFUSCFJ-UHFFFAOYSA-N,3,1,0.349,14,767,479.878,4.771,5,0.335,0.74,1.0,0.5457987800699061,0.6514974984579536,0.7688043999725859,0.722354533616613,0.6721138030292646
EOS-3-49568,Cc1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)cc(-c5cnc(F)cn5)n4)n23)cn1,JQORRJPZESWRMC-UHFFFAOYSA-N,3,1,0.462,27,69,482.401,4.084,5,0.345,0.68,0.999,0.7530412583099171,0.8787608799945171,0.9344544582276746,0.8444246453293126,0.8526703104653554
EOS-3-49569,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc6ncccc56)n34)ccc2F)cn1,PNYMBSMVVCCTMZ-UHFFFAOYSA-N,3,1,0.49,35,4,478.491,4.261,6,0.35,0.61,1.0,0.9370588033719416,0.9503204029881434,0.6236635597285998,0.5866715783702282,0.7744285861147282
EOS-3-49570,Fc1cnc(F)c(-c2cc(-c3nnc4cncc(OCCc5cscc5Cl)n34)cnn2)c1,CUQLQUIVVLMZCF-UHFFFAOYSA-N,3,1,0.473,65,778,471.88,4.258,5,0.342,0.59,1.0,0.7761633883901035,0.8017870605167569,0.7225258721129464,0.7740901925844699,0.7686416284010692
EOS-3-49571,Cn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(-c5nncn5C)cc4)n23)ccc1Cl,OEDCQIHCLLLROY-UHFFFAOYSA-N,3,1,0.512,67,722,483.923,4.433,6,0.357,0.72,1.0,0.48231786717839764,0.6464001781920362,0.5674730998560756,0.5612706462888082,0.5643654478788294
EOS-3-49572,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(C#N)nc5)ncn4)n23)on1,DOSZCZPRSZZUTE-UHFFFAOYSA-N,3,1,0.512,7,238,411.385,2.39,5,0.423,0.63,0.978,0.4748475087382633,0.3205743266397094,0.25257864436981703,0.18827530669590845,0.30906894661092454
EOS-3-49573,O=C(NCc1ccc(F)nc1)c1nccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,ZTFWCICKURBVOL-UHFFFAOYSA-N,3,1,0.527,97,232,490.886,3.278,5,0.345,0.83,1.0,0.8692173257487492,0.7281115070934138,0.3477828798574464,0.3535484202590638,0.5746650332396683
EOS-3-49574,CC(=O)c1cc(Cl)cc(COc2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)c1,WSKFJFQRCAZAFJ-UHFFFAOYSA-N,3,1,0.656,0,751,491.935,3.699,5,0.379,0.9,1.0,0.4184857103694058,0.2234682338427798,0.08017784935919402,0.1408059762867521,0.2157344424645329
EOS-3-49575,Fc1cc(-c2nnc3cncc(-c4ccc(-c5csc(Cl)n5)cc4F)n23)ncc1Cl,VVRFURBPBQZWEM-UHFFFAOYSA-N,3,1,0.304,45,575,461.284,5.562,5,0.352,0.72,0.998,0.3393701596874786,0.5051915564389007,0.9328867109862243,0.9639932149955452,0.6853604105270372
EOS-3-49576,Cc1nn(C)c(C)c1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cc1,YCHSSWFVZBGCNY-UHFFFAOYSA-N,3,1,0.303,9,57,476.519,5.072,6,0.33,0.73,1.0,0.19060551024604208,0.23324309505859778,0.5835103831128778,0.5248954835172367,0.3830636179836886
EOS-3-49577,Fc1cc(Cl)c(COc2cncc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)n23)cn1,YVLBMKYZCGMPAP-UHFFFAOYSA-N,3,1,0.584,90,255,458.202,5.23,4,0.31,0.76,1.0,0.971917620450963,0.97493317798643,0.9987235282023165,0.9987663628263999,0.9860851723665274
EOS-3-49578,Fc1nc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)ccc1-c1nccs1,YJFIVMDDLPTZJS-UHFFFAOYSA-N,3,1,0.424,46,223,457.853,4.215,5,0.365,0.55,0.998,0.6380559934206017,0.6754420533205401,0.6057843876362141,0.6633027208553218,0.6456462888081694
EOS-3-49579,CCc1nc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cn4)n23)nc(C(F)F)n1,XYLUJOGJWLDQCX-UHFFFAOYSA-N,3,1,0.338,50,315,464.867,4.859,5,0.366,0.57,0.713,0.3147659516140086,0.460078130354328,0.38909259132341856,0.48883729696388184,0.4131934925639093
EOS-3-49580,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(C)c5)n34)cc2)cn1,PWLDUUDEAFIKPS-UHFFFAOYSA-N,3,1,0.558,13,15,414.444,4.915,5,0.408,0.71,1.0,0.4370074018230416,0.6035741210335138,0.7803697484750873,0.7060945103145775,0.631761445411555
EOS-3-49581,Cc1cnc(-c2nc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)ccc2F)cn1,RDDWNGWWTRSHKL-UHFFFAOYSA-N,3,1,0.426,27,348,481.413,4.689,5,0.337,0.72,0.986,0.8537797272291139,0.7808837639640874,0.957396682886711,0.9084281406346378,0.8751220786786376
EOS-3-49582,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cccc(F)c4)n23)cn1,RXLICDALCAMSIM-UHFFFAOYSA-N,3,1,0.432,63,9,402.433,3.003,5,0.536,0.9,1.0,0.27714858474402027,0.2691813446645192,0.14459255705571927,0.26406689054896854,0.23874734425330685
EOS-3-49583,COc1nc(-c2cccs2)ccc1-c1nnc2cncc(Cc3ccc(C(F)F)nn3)n12,PGULEISPBZOHRP-UHFFFAOYSA-N,3,1,0.356,85,476,451.462,4.242,5,0.381,0.49,1.0,0.41849427729422245,0.5006253855116167,0.4362706462888082,0.35355698718388046,0.4272368240696319
EOS-3-49584,CCc1nc(-c2nnc3cncc(OCc4sccc4F)n23)ccc1-c1nc(C)cc(C)n1,JNMDBCJLKNGXLE-UHFFFAOYSA-N,3,1,0.4,31,690,461.526,4.602,5,0.365,0.59,0.983,0.5380285792611884,0.5694948941128093,0.15369919813583716,0.1232694811870331,0.346123038174217
EOS-3-49585,COc1ncc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccc(F)c(F)c5)c4)n23)cn1,QXJRSMSKGGUPLT-UHFFFAOYSA-N,3,1,0.561,59,13,480.862,4.768,5,0.346,0.72,1.0,0.977280515386197,0.9695617161263793,0.9086251799054211,0.8881930642176684,0.9359151189089164
EOS-3-49586,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1ccccc1,BROLXGVYYCPDLK-UHFFFAOYSA-N,3,1,0.598,88,222,463.875,5.406,5,0.337,0.7,1.0,0.9818809540127476,0.9779744362963471,0.9469021999862929,0.9603951065725447,0.966788174216983
EOS-3-49587,Fc1cc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)ccc1Cl,MHOZLDCTUZTQNJ-UHFFFAOYSA-N,3,1,0.592,68,255,406.755,3.89,4,0.5,0.72,1.0,0.9117521074635049,0.9709666917963128,0.9405455417723254,0.9310362552258241,0.9385751490644918
EOS-3-49588,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cc[nH]n6)cc5)n34)cc2)cc1,WYRNJWWINIQICM-UHFFFAOYSA-N,3,1,0.379,21,810,414.472,5.515,6,0.413,0.83,1.0,0.20152833938729353,0.19425502021794258,0.8355578781440615,0.8601278185182647,0.5228672640668905
EOS-3-49589,Cc1cnc(CCOc2cncc3nnc(-c4cc(Cl)cc(-c5ncccc5F)c4)n23)c(C)n1,DNUPERHRJSUGJJ-UHFFFAOYSA-N,3,1,0.474,37,490,475.915,4.674,5,0.352,0.62,1.0,0.7440631211020492,0.7467274347200329,0.43257830169282435,0.48585600712768146,0.6023062161606471
EOS-3-49590,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cncn5C)nnc4C)n23)n(C)n1,VOFLZJYWNRWRIH-UHFFFAOYSA-N,3,1,0.407,31,105,416.449,1.911,5,0.427,0.52,0.999,0.16267733534370502,0.07867007059146049,0.03480741553012131,0.015814543211568777,0.0729923411692139
EOS-3-49591,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5Cl)c4)n23)cn1,WUDHMZZEEXEJJR-UHFFFAOYSA-N,3,1,0.505,27,69,484.829,4.29,5,0.34,0.73,1.0,0.9266071550956069,0.9163525460900556,0.9579192653005277,0.9062264409567542,0.9267763518607361
EOS-3-49592,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(OC5CC6COCC6C5)nc4)n23)cc1,ROTAEUCOYVSHPA-UHFFFAOYSA-N,3,1,0.346,0,829,482.544,3.549,7,0.448,0.57,0.999,0.19061407717085874,0.07867863751627716,0.2525872112946337,0.3731409773147831,0.22375522582413815
EOS-3-49593,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5OC(F)F)nn4)n23)cc1,ZRUBUVWLIIWYAZ-UHFFFAOYSA-N,3,1,0.41,67,39,486.446,3.436,6,0.352,0.69,1.0,0.1268333219107669,0.27431293262970324,0.5372575560276883,0.5183674868069358,0.36419282434377354
EOS-3-49594,Cc1ccc(-c2ncc(C)cc2-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)nc1,ARHLHACRQMAMOF-UHFFFAOYSA-N,3,1,0.534,84,672,474.927,5.279,5,0.333,0.76,1.0,0.8068329792337743,0.8135494482900418,0.7455708998697828,0.7463676238777328,0.7780802378178329
EOS-3-49595,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccc(Cl)nn1,BUFWLCMRQMDPCX-UHFFFAOYSA-N,3,1,0.536,72,554,473.32,5.335,5,0.343,0.76,1.0,0.8756082516619834,0.910278596395038,0.853231444040847,0.895038037146186,0.8835390823110136
EOS-3-49596,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)cnn4)n23)cc1,YBWCVGBFNQZRCC-UHFFFAOYSA-N,3,1,0.444,89,731,489.446,2.456,5,0.349,0.72,1.0,0.4649955451990953,0.20338736207251046,0.2235967377150298,0.16123809197450484,0.2633044342402851
EOS-3-49597,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)c(Cl)c1,PVPFDPBDHXTLLV-UHFFFAOYSA-N,3,1,0.455,13,145,407.796,4.161,5,0.48,0.76,1.0,0.6652902474127887,0.7595007196216846,0.7910527037214722,0.8245750805290932,0.7601046878212596
EOS-3-49598,Cc1cc(-c2cc(-c3nnc4cncc(CCc5nnn(C)n5)n34)ncn2)cc(F)n1,GHHIVGCBSUTYJI-UHFFFAOYSA-N,3,1,0.283,31,105,417.412,1.4,5,0.39,0.55,0.367,0.08371598930847783,0.14155986567061887,0.014837913782468645,0.020826194229319445,0.0652349907477212
EOS-3-49599,CCn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)nc1,QCBKHZGJFXQENT-UHFFFAOYSA-N,3,1,0.265,70,813,456.56,4.922,6,0.366,0.62,0.996,0.04249194709067233,0.06437187307244191,0.18247549859502432,0.1882838736207251,0.11940579809471591
EOS-3-49600,Cc1nocc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)s4)n23)cn1,MONLAVWIBUUOOP-UHFFFAOYSA-N,3,1,0.345,76,653,472.921,4.989,6,0.353,0.66,0.809,0.212553971626345,0.31024261531080805,0.3515009252278802,0.39821636625316975,0.3181284696045507
EOS-3-49601,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(C(F)F)nc5)ncn4)n23)c(Cl)c1,NFJRFBANVIIIFC-UHFFFAOYSA-N,3,1,0.4,13,971,469.814,5.166,5,0.351,0.65,0.997,0.6955571927900761,0.817438832156809,0.9427386745253924,0.9343516551298746,0.8475215886505381
EOS-3-49602,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5cncc(F)c5)c4)n23)n(-c2ccccc2)n1,ZRUKPILCJWNOQL-UHFFFAOYSA-N,3,1,0.454,28,667,478.491,4.461,6,0.349,0.66,1.0,0.3015985881707902,0.28471317935713797,0.5172195188815023,0.4950140497566993,0.3996363340415324
EOS-3-49603,Clc1cccnc1Oc1cncc2nnc(-c3cc(-c4nncs4)cnn3)n12,XDNIWWXEUMUNBL-UHFFFAOYSA-N,3,1,0.329,53,511,409.822,2.941,5,0.441,0.65,1.0,0.46245973545336166,0.4600866972791447,0.11839490096634912,0.18829244054554178,0.3073084435610993
EOS-3-49604,COc1cncc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5cccc(C#N)c5)n34)nc2)n1,ZJURCXOYXWXSJL-UHFFFAOYSA-N,3,1,0.278,70,543,485.471,3.043,6,0.354,0.62,0.999,0.3371084915358783,0.2033959289973271,0.2819032280172709,0.2789133712562539,0.27533025495168256
EOS-3-49605,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5csc(C)n5)cc4)n23)cc1,STGXEGIMQPSAEN-UHFFFAOYSA-N,3,1,0.622,1,230,413.506,5.111,5,0.401,0.82,1.0,0.7076708244808444,0.5277996710300871,0.6445154547323693,0.545104859159756,0.6062727023507641
EOS-3-49606,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)n1,MWHRDBYARJYYGP-UHFFFAOYSA-N,3,1,0.457,2,265,465.851,4.196,5,0.347,0.54,1.0,0.8602734562401481,0.8704252621478994,0.8285158659447605,0.8480912891508464,0.8518264683709136
EOS-3-49607,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cc(Cl)nc(-c4ccccn4)c3)n12,AGJKMYSSRMMJMS-UHFFFAOYSA-N,3,1,0.462,24,912,468.279,4.668,5,0.346,0.6,0.998,0.8715132615996162,0.8428311973134124,0.82476355287506,0.8583887327804811,0.8493741861421424
EOS-3-49608,OCc1ccc(-c2nnc3cncc(OCc4sc(Cl)c(F)c4F)n23)nc1,QAOUCHABBBZBHL-UHFFFAOYSA-N,3,1,0.5,90,244,409.805,3.251,4,0.544,0.62,1.0,0.7230741553012131,0.7189191967651292,0.7910612706462888,0.7812607086560208,0.7535788328421631
EOS-3-49609,Fc1ccc(Cl)cc1-c1nnc2cncc(-c3ccc(-c4cscn4)cn3)n12,HIAIVOZOIULDDM-UHFFFAOYSA-N,3,1,0.37,45,140,408.849,4.769,5,0.43,0.83,1.0,0.2614882461791515,0.49120176821328215,0.807766774038791,0.8714018915769995,0.607964670002056
EOS-3-49610,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cnn2)cn1,ZTESJAKXEFBMSN-UHFFFAOYSA-N,3,1,0.545,87,778,411.429,2.363,5,0.415,0.59,0.999,0.5253066959084367,0.34917072167774654,0.10463641971078062,0.08691145226509492,0.2665063223905147
EOS-3-49611,Cn1cc(-c2cc(Cl)c(-c3nnc4cncc(-c5nnc(-c6cnccn6)n5C)n34)cc2F)cn1,WQMMSSGOBMXTQC-UHFFFAOYSA-N,3,1,0.312,99,754,487.89,3.237,6,0.372,0.67,0.984,0.09573538482626276,0.2691899115893359,0.25951785347131795,0.369765608937016,0.24855218970598314
EOS-3-49612,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccc5)n34)cn2)c1,WLKQGUYXLYMQMM-UHFFFAOYSA-N,3,1,0.382,30,220,450.502,5.783,6,0.34,0.77,1.0,0.15170310465355355,0.3827445000342677,0.696850798437393,0.7812692755808375,0.503141919676513
EOS-3-49613,Cc1ccc(-c2nnc3cncc(OCc4cn(-c5ccnc(C#N)c5)cn4)n23)cn1,NLQMWTNMNNAKCV-UHFFFAOYSA-N,3,1,0.432,7,205,409.413,2.526,5,0.434,0.67,1.0,0.3555530806661641,0.3205828935645261,0.432586868617641,0.312435748063875,0.3552896477280515
EOS-3-49614,Cc1ccc(-c2nsc(-c3cncc4nnc(-c5ccc(-c6cnc(C)n6C)cn5)n34)n2)s1,FBARKSBHFSZCNK-UHFFFAOYSA-N,3,1,0.255,86,652,471.575,4.451,6,0.374,0.56,0.775,0.06735316290864231,0.0752347337399767,0.05002227400452334,0.04281749023370571,0.05885691522171201
EOS-3-49615,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5Cl)nc4)n23)s1,JAJAUTYBZOSRHA-UHFFFAOYSA-N,3,1,0.506,1,31,454.342,5.801,5,0.336,0.83,1.0,0.7618566239462683,0.8588513467205812,0.8450671646905626,0.9014889315331369,0.8418160167226373
EOS-3-49616,Fc1ccc(-c2nnc3cncc(Cc4cc(F)c(F)c(Cl)c4)n23)cc1Cl,SJFXOMHOEZJGPP-UHFFFAOYSA-N,3,1,0.443,23,627,409.198,5.106,4,0.442,0.83,1.0,0.6126293605647317,0.842839764238229,0.9953481598245494,0.9993146460146666,0.8625329826605442
EOS-3-49617,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6F)nc5)n34)cn2)nc1,BYEWZUNUUOZOSP-UHFFFAOYSA-N,3,1,0.316,32,443,482.429,4.79,6,0.357,0.67,1.0,0.3832756493729011,0.5943732437804126,0.8592796929614146,0.8784010691522172,0.6788324138167363
EOS-3-49618,COCc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)cn1,JXXQAEFLIWSFSH-UHFFFAOYSA-N,3,1,0.438,16,55,477.887,4.161,5,0.322,0.62,1.0,0.716811733260229,0.6805907751353574,0.7379463367829484,0.6893461722979919,0.7061737543691317
EOS-3-49619,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnc(F)cn4)nc3)n12,BGUKJCWXTLINLZ-UHFFFAOYSA-N,3,1,0.358,86,754,485.874,3.293,6,0.346,0.66,0.89,0.17338599136453978,0.3684977040641491,0.20628298266054418,0.3155455417723254,0.2659280549653896
EOS-3-49620,Fc1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(F)c(-c6cncnn6)c5)n34)cn2)ccn1,HEPXJPVQTHKNSD-UHFFFAOYSA-N,3,1,0.34,10,693,479.454,3.969,6,0.342,0.57,1.0,0.3764735110684669,0.3966657528613529,0.7592094441779179,0.7643581659927352,0.5741767185251182
EOS-3-49621,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)n5)cn4)n23)cn1,FXARVYIAYDSYEE-UHFFFAOYSA-N,3,1,0.444,51,969,414.404,3.065,5,0.404,0.56,1.0,0.6713898978822562,0.7329689534644644,0.35891131519429786,0.3094544582276746,0.5181811561921733
EOS-3-49622,COc1cc(-c2ccnc(-c3nnc4cncc(OCc5cccc(Cl)c5Cl)n34)c2)ccn1,JQKWWWCSBGLTAD-UHFFFAOYSA-N,3,1,0.449,59,153,479.327,5.143,5,0.333,0.74,0.999,0.6557723939414708,0.6181550270714824,0.8650623672126654,0.8516636967993969,0.7476633712562539
EOS-3-49623,Clc1ccc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)cc1,BJKKPFIIAKOGAM-UHFFFAOYSA-N,3,1,0.6,57,461,454.342,5.801,5,0.336,0.82,1.0,0.8421886779521623,0.9459255705571928,0.8036889178260571,0.889546638338702,0.8703374511685286
EOS-3-49624,N#Cc1ccnc(-c2cnc(Oc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2Cl)c1F,NBUMEWJXERUMNY-UHFFFAOYSA-N,3,1,0.469,13,412,486.854,3.804,5,0.394,0.64,0.998,0.7931516003015557,0.6318278390788843,0.7780395449249538,0.717068741004729,0.7300219313275307
EOS-3-49625,O=C(NC1CC1F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnn5)nn4)n23)cc1,APNLYKCTIFDKET-UHFFFAOYSA-N,3,1,0.434,36,707,485.443,1.247,6,0.353,0.6,1.0,0.477563223905147,0.2639897882256185,0.16946233979850592,0.1318706737029676,0.26072150640805974
EOS-3-49626,N#Cc1cnc(-c2cc(-c3nnc4cncc(OCc5sc(Cl)nc5Cl)n34)ccn2)nc1,XAVZKOVHRPKTIQ-UHFFFAOYSA-N,3,1,0.46,55,420,482.316,3.857,5,0.367,0.71,1.0,0.720007196216846,0.6854567884312247,0.3291669522308272,0.42991398807484066,0.5411362312384347
EOS-3-49627,Fc1nc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1nccs1,JXMSEQSAGMZQJP-UHFFFAOYSA-N,3,1,0.426,58,814,471.88,4.258,5,0.342,0.6,0.999,0.707679391405661,0.7423583030635323,0.517228085806319,0.5957439517510794,0.6407524330066479
EOS-3-49628,Cc1cnc(-c2sc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2Cl)nc1,KGNQVGCRESHPBY-UHFFFAOYSA-N,3,1,0.46,18,262,449.927,4.288,5,0.382,0.51,1.0,0.5701031457747927,0.49609348228359945,0.20262490576382702,0.2550630525666507,0.3809711465972174
EOS-3-49629,Cc1nc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)ccc1-c1ccnnc1,ADIXAWBETOPOFU-UHFFFAOYSA-N,3,1,0.394,81,984,474.488,3.383,6,0.354,0.51,0.998,0.33937872661229523,0.2180882050579124,0.2381862106778151,0.19631108217394283,0.24799105613049138
EOS-3-49630,Clc1ncc(-c2nnc3cncc(OCc4ccc(-c5ncon5)s4)n23)cn1,MXDOOUFFXQFNQC-UHFFFAOYSA-N,3,1,0.488,7,434,412.822,2.925,5,0.401,0.63,0.999,0.4971215132615996,0.5943818107052292,0.13251319306421766,0.16360256322390515,0.3469047700637379
EOS-3-49631,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c(F)c2)cs1,PIGJDQPWWKLSGN-UHFFFAOYSA-N,3,1,0.443,57,616,437.887,5.808,5,0.355,0.82,1.0,0.7200157631416627,0.8252175998903434,0.8501987526557467,0.869919813583716,0.8163379823178671
EOS-3-49632,Cn1ncc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(C(C)(O)CO)c(F)c5)n34)c2)n1,HMTSNZVRAZPAIN-UHFFFAOYSA-N,3,1,0.326,61,648,479.903,3.246,5,0.397,0.57,0.999,0.45342162977177713,0.5414639161126722,0.9337091357686245,0.8895552052635186,0.7045374717291482
EOS-3-49633,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4nncc(-c5ccc(Cl)nc5)n4)n23)nc1,HCONUOHOBDNPBE-UHFFFAOYSA-N,3,1,0.295,99,502,484.871,2.674,6,0.332,0.69,1.0,0.42085874854362276,0.4338376396408745,0.11545644575423206,0.1360684668631348,0.27655532520046605
EOS-3-49634,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc(Cl)n1,CHRBEQNMJQYQMC-UHFFFAOYSA-N,3,1,0.467,36,51,468.855,4.848,5,0.329,0.67,1.0,0.6864676855595915,0.7808923308889041,0.7171886779521623,0.7250788157083133,0.7274068775272429
EOS-3-49635,Fc1cccc(-c2nnc3cncc(-c4ncnn4Cc4ccnc(-c5cnc(Cl)nc5)c4)n23)c1,JDKHVEOAWHQBJS-UHFFFAOYSA-N,3,1,0.367,10,151,484.886,3.743,6,0.34,0.72,1.0,0.17610170653142349,0.3342899732711946,0.3854516482763347,0.5015334795421835,0.34934420190528404
EOS-3-49636,Cc1cnc(-c2nc(-c3ncco3)ccc2-c2nnc3cncc(OCc4cncs4)n23)cn1,ZFGHVXQMWOPBAX-UHFFFAOYSA-N,3,1,0.5,6,297,469.49,3.642,6,0.356,0.59,0.998,0.3786666438215338,0.33429854019601124,0.0967377150298129,0.07443800973202659,0.22103522719484614
EOS-3-49637,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)nc5)n34)cc2)cs1,QQUICTFYEGXCHV-UHFFFAOYSA-N,3,1,0.329,69,57,436.5,5.545,6,0.361,0.72,1.0,0.11040196011239806,0.17270063737920635,0.5995905009937633,0.5644661092454253,0.3617898019326983
EOS-3-49638,Cc1ccc(-c2nnc3cncc(CCCCCc4ccc(-c5ccc(F)cn5)nn4)n23)nc1,QBZFRYUOYLANLV-UHFFFAOYSA-N,3,1,0.347,52,580,454.513,4.441,5,0.32,0.61,1.0,0.31968336645877593,0.3491792886025632,0.061416284010691526,0.1295747378521006,0.21496341923103282
EOS-3-49639,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4cnc(C(O)c5ccc(F)cn5)[nH]4)n23)nc1,ZRPFYAWXVULOGY-UHFFFAOYSA-N,3,1,0.288,86,652,468.456,2.593,6,0.394,0.48,0.145,0.21522685216914536,0.22853128640943046,0.5305239531217874,0.43917483380165856,0.35336423137550543
EOS-3-49640,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cscn6)cc5)n34)s2)ccn1,SXNAIUHOULKOBE-UHFFFAOYSA-N,3,1,0.296,32,174,438.541,5.705,6,0.353,0.74,1.0,0.07715372489891029,0.12392056747309986,0.5930282365841958,0.6283239668288672,0.3556066239462683
EOS-3-49641,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)ncn2)cn1,QIHWVYFOXGTMLQ-UHFFFAOYSA-N,3,1,0.39,27,52,469.362,3.17,5,0.283,0.63,0.92,0.5535261462545404,0.6367366869988349,0.8518436022205469,0.72508738263313,0.691798454526763
EOS-3-49642,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncn(-c6ccccc6)n5)n34)c(F)c2)nn1C,JPGLXUYGJVQFOI-UHFFFAOYSA-N,3,1,0.438,67,807,482.483,3.194,6,0.356,0.63,1.0,0.3271451579740936,0.4338462065656912,0.12395483517236652,0.12550544856418341,0.25261291206908365
EOS-3-49643,Cc1cnc(-c2nc(C)n(C)c2-c2cncc3nnc(-c4ccc(-c5cc(F)ccn5)nc4)n23)cn1,RUFCOEHOIUXMGA-UHFFFAOYSA-N,3,1,0.333,86,968,478.495,3.862,6,0.375,0.56,0.996,0.19062264409567542,0.25882393256116787,0.17928003563840725,0.19375813857857582,0.20562118771845658
EOS-3-49644,COc1ncccc1-c1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cnc1OC,DNJDRRHKLOUXAG-UHFFFAOYSA-N,3,1,0.451,16,657,477.431,3.518,5,0.325,0.62,0.991,0.7500514015489,0.6464087451168529,0.6415769995202522,0.4331180179562744,0.6177887910355699
EOS-3-49645,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5)cn4)n23)c(F)n1,DUUFRQPOZRZFOZ-UHFFFAOYSA-N,3,1,0.466,4,700,413.416,3.67,5,0.406,0.61,1.0,0.6557809608662875,0.6754506202453567,0.44724487697895965,0.41717497087245564,0.5489128572407649
EOS-3-49646,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)nc1,AMGZHOKGGYYGOJ-UHFFFAOYSA-N,3,1,0.364,93,479,463.932,5.574,6,0.341,0.74,1.0,0.24011376876156534,0.32953532999794394,0.7640925913234186,0.8147488177643754,0.5371226269618259
EOS-3-49647,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cnn2)ccn1,FYOBIRPJZORJPQ-UHFFFAOYSA-N,3,1,0.411,51,196,449.837,3.135,5,0.385,0.42,1.0,0.5612963470632581,0.5896871359056953,0.3291755191556439,0.3567181824412309,0.45921929614145707
EOS-3-49648,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3cccnc3-c3ccc(Cl)c(F)c3)n12,GXRHHGPMTWVUEQ-UHFFFAOYSA-N,3,1,0.34,8,474,483.898,4.503,6,0.364,0.68,0.992,0.1654273182098554,0.33927592351449526,0.4400315262833253,0.5986738400383799,0.38585215201151396
EOS-3-49649,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)co5)cc4Cl)n23)cc1,KSBDCZWKUPKJNJ-UHFFFAOYSA-N,3,1,0.471,1,528,417.856,5.509,5,0.383,0.79,1.0,0.8171732574874923,0.7554057295593174,0.7756922075251867,0.7250959495579467,0.7683417860324857
EOS-3-49650,Fc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3ccc(-n4ccnc4)cn3)n12,MBICCPZFKYRBOF-UHFFFAOYSA-N,3,1,0.454,6,843,466.44,2.942,6,0.341,0.5,0.916,0.33229387978891095,0.3491878555273799,0.3742032759920499,0.3245579466794599,0.34506073949695015
EOS-3-49652,Cc1nc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cc(C(F)F)n1,NRWPBXTZKHCUPU-UHFFFAOYSA-N,3,1,0.376,46,62,480.866,4.517,5,0.349,0.63,1.0,0.8252604345144267,0.8059420190528408,0.7526900143924337,0.6837948050167911,0.7669218182441231
EOS-3-49653,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccccc6Cl)n5)n34)cn2)cc1,FQEJGTIVAHHYRR-UHFFFAOYSA-N,3,1,0.38,3,757,480.894,5.165,6,0.343,0.74,1.0,0.30160715509560687,0.5510246042080734,0.6885237475155918,0.8015643204715236,0.5856799568226989
EOS-3-49654,Cc1nc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cn4)n23)cc(-c2nnnn2C)n1,VNHDXOUXKSACGY-UHFFFAOYSA-N,3,1,0.345,99,105,468.445,0.839,6,0.365,0.5,0.387,0.16543588513467206,0.1605527379891714,0.010914262216434788,0.006296689740250839,0.08579989377013227
EOS-3-49655,Fc1ccc(-c2nc(F)ccc2-c2nnc3cncc(-c4cccc(-c5csnn5)c4)n23)cc1,DOWRLAUHZLXKAI-UHFFFAOYSA-N,3,1,0.359,69,923,469.48,5.317,6,0.325,0.77,1.0,0.18777842505654171,0.34435610993077925,0.7910698375711055,0.8499588787608799,0.5432908128298266
EOS-3-49656,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)cn4)n23)cc1C#N,SRMROURSDZUNEZ-UHFFFAOYSA-N,3,1,0.333,82,155,408.4,3.63,5,0.42,0.71,0.999,0.33711705846069495,0.43385477349050783,0.722534439037763,0.7006716469056268,0.5485444794736481
EOS-3-49657,COc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,URJCAVKBOLHLIG-UHFFFAOYSA-N,3,1,0.478,65,324,478.875,3.461,5,0.347,0.55,0.996,0.835001028030978,0.742366869988349,0.45793639915016104,0.4171835377972723,0.6131219587416901
EOS-3-49658,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCc3ccns3)n12,JNKFRPOWXXZEFJ-UHFFFAOYSA-N,3,1,0.519,97,256,410.459,4.089,5,0.434,0.71,1.0,0.7045096292234939,0.7189277636899458,0.5439054896854225,0.5644746761702419,0.632954389692276
EOS-3-49659,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6ncccn6)nn5)n34)cn2)cn1,QGEISYSHQNIDOM-UHFFFAOYSA-N,3,1,0.395,86,618,487.409,3.305,6,0.368,0.69,1.0,0.042500514015489,0.17270920430402303,0.6530138441505038,0.5318775272428209,0.3500252724282092
EOS-3-49660,CCn1cnnc1-c1ccc(Cl)c(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)c1,AXJRXECVNKLDEL-UHFFFAOYSA-N,3,1,0.511,37,908,482.882,4.018,5,0.345,0.65,1.0,0.7349736138715647,0.8358405866630114,0.6177095469810157,0.6660527037214722,0.713644112809266
EOS-3-49661,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cc(F)cc(F)c4O)n23)c1,NHMQSVHYNYMLDH-UHFFFAOYSA-N,3,1,0.333,61,917,406.356,2.633,5,0.491,0.73,1.0,0.22644095675416354,0.3443646768555959,0.5065194297854843,0.580666164073744,0.41449780686724697
EOS-3-49662,Clc1ccc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ccccn5)c4)n23)cc1,VWRTXVPCIXKGCX-UHFFFAOYSA-N,3,1,0.414,83,533,418.287,5.827,5,0.37,0.87,1.0,0.35556164759098075,0.631836406003701,0.9398259200877254,0.9733739976697965,0.7251494928380509
EOS-3-49663,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cnn2)c1,HQIWKROIKQEDHC-UHFFFAOYSA-N,3,1,0.473,59,89,451.824,4.154,5,0.371,0.48,1.0,0.7959529847166061,0.8017956274415736,0.8734922212322664,0.8936330614762524,0.8412184737166747
EOS-3-49664,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cc(F)c(-c5ccccc5Cl)cn4)n23)cc1,VCXBIYXRMQDYFZ-UHFFFAOYSA-N,3,1,0.37,62,302,484.922,5.205,6,0.37,0.82,1.0,0.2666369679939689,0.34919642245219656,0.680599342060174,0.7994482900418066,0.5239702556370365
EOS-3-49665,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cnc1OC,XKLDWDPCBJFSNT-UHFFFAOYSA-N,3,1,0.448,26,657,476.928,3.748,5,0.312,0.63,1.0,0.4344373243780413,0.3634517853471318,0.3365173737235282,0.2519446919333836,0.34658779384552124
EOS-3-49666,COc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(C)c5-c5ccccc5)n34)cc2)cc1,XSZGHOCGRWZXTJ-UHFFFAOYSA-N,3,1,0.438,21,810,458.525,5.534,6,0.34,0.72,1.0,0.12408333904461655,0.0980398876019464,0.754951682544034,0.7170773079295456,0.42353805428003566
EOS-3-49667,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)c(Cl)n1,PTQFGHWGQFVQLZ-UHFFFAOYSA-N,3,1,0.411,13,374,452.305,5.169,5,0.342,0.66,1.0,0.48477657460078133,0.5648430539373587,0.6206480021931328,0.7006802138304434,0.5927369611404291
EOS-3-49668,Cc1cccc(COc2cncc3nnc(-c4cccc(-c5cnc(C)cn5)c4)n23)c1,JTFZDSJWUJORRG-UHFFFAOYSA-N,3,1,0.506,1,230,408.465,4.444,5,0.428,0.78,1.0,0.5380371461860051,0.3779470221369337,0.6261908025495169,0.5215372489891029,0.5159280549653896
EOS-3-49669,COCc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc1,DHRZEUGQFPFSMB-UHFFFAOYSA-N,3,1,0.28,63,108,402.418,1.682,5,0.517,0.92,1.0,0.10045576040024673,0.019686793228702624,0.020509218011102736,0.023276334726886436,0.040982026591734624
EOS-3-49670,CC(Cc1ccc(-c2cccnc2-c2nnc3cncc(Br)n23)cn1)c1nncn1C,ZWRFYZCZFZGWGU-UHFFFAOYSA-N,3,1,0.384,50,974,476.342,3.486,5,0.383,0.52,1.0,0.1268418888355836,0.11688712219861558,0.10710369405798095,0.09460455075046262,0.11135931396066068
EOS-3-49671,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1ccc(F)c(Cl)c1,OWEPTJVSTZGGJX-UHFFFAOYSA-N,3,1,0.447,95,266,485.31,4.049,5,0.358,0.71,0.962,0.517279487355219,0.5414724830374888,0.5508532657117401,0.6689654581591392,0.5696426735658968
EOS-3-49672,Fc1cnsc1COc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,YSLBRCDMDIGFHV-UHFFFAOYSA-N,3,1,0.512,75,496,410.459,4.089,5,0.434,0.73,1.0,0.6209392776368995,0.5943903776300459,0.3964258789664862,0.4268041943663902,0.5096399321499554
EOS-3-49673,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccc5)n34)cn2)cc1,IWHDOVQSSZLXRI-UHFFFAOYSA-N,3,1,0.365,69,220,450.502,5.783,6,0.34,0.77,1.0,0.19885545884449318,0.4111352888767048,0.7070368720444109,0.7880885477349051,0.5262790418751285
EOS-3-49674,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)cc2Cl)nn1,ROKBTHWJOCNPMB-UHFFFAOYSA-N,3,1,0.539,37,563,476.903,4.069,5,0.361,0.55,1.0,0.8602820231649647,0.9123003906517716,0.482232197930231,0.47664656294976354,0.6828652936741827
EOS-3-49675,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nc(C)nn1C,PQBIUKCGBFEKPJ-UHFFFAOYSA-N,3,1,0.433,31,690,475.944,3.523,5,0.351,0.57,0.63,0.40297957645123705,0.3779555890617504,0.051752792817490234,0.06528853402782538,0.22449412308957578
EOS-3-49676,COc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,YTKKMUURKYDPBS-UHFFFAOYSA-N,3,1,0.533,11,710,477.887,4.066,5,0.346,0.59,0.985,0.840004112123912,0.7724539099444864,0.4472534439037763,0.4391834007264752,0.6247237166746624
EOS-3-49677,COc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c(Cl)cn2)nn1,ROMNMBCZZPPBIJ-UHFFFAOYSA-N,3,1,0.44,55,283,481.303,3.933,5,0.333,0.63,0.989,0.7409533273935988,0.8096257967240079,0.5674816667808923,0.5644832430950586,0.6706360084983893
EOS-3-49678,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5cc(F)c(Cl)cc5F)n34)n2)cc1F,AXCFJUOLUPPVBT-UHFFFAOYSA-N,3,1,0.304,45,730,445.767,4.249,5,0.306,0.58,0.931,0.13786752107463504,0.46009526420396135,0.9605150435199781,0.9779487355218971,0.6341066410801179
EOS-3-49679,CCOCc1ccc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ncc(Cl)cn5)c4)n23)cn1,UFKAUSZTCJZZLB-UHFFFAOYSA-N,3,1,0.318,82,856,478.343,5.154,5,0.333,0.74,1.0,0.4557432663970941,0.569503461037626,0.6722123226646562,0.7223631005414296,0.6049555376602015
EOS-3-49680,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(CCc5ncc(Cl)cc5F)nn4)n23)cc1,LRMUETRLUPJBCG-UHFFFAOYSA-N,3,1,0.376,74,333,489.902,2.976,5,0.386,0.71,1.0,0.29389692276060586,0.28995613734493864,0.18898636145569186,0.22535295730244673,0.2495480947159208
EOS-3-49681,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)nc4)n23)c(F)c1,PHANGNJEPQRISX-UHFFFAOYSA-N,3,1,0.31,42,314,483.898,4.503,6,0.364,0.7,1.0,0.3094972928517579,0.4157442944280721,0.6777808237954903,0.7384774861215818,0.5353749742992255
EOS-3-49682,Fc1cnc(Cl)cc1CCOc1cncc2nnc(-c3ccc(C(F)F)cc3F)n12,GHTNMTHEFFUZPJ-UHFFFAOYSA-N,3,1,0.585,90,281,437.784,4.677,4,0.324,0.63,1.0,0.9481187033102597,0.9813241038996642,0.9865327941881982,0.9858217394284148,0.9754493352066342
EOS-3-49683,FC(F)c1ccc(-c2nnc3cncc(OCc4csnc4-c4ccccc4)n23)cn1,HJQWWQDMQPCFGW-UHFFFAOYSA-N,3,1,0.494,1,700,436.447,4.826,5,0.38,0.59,1.0,0.6438043999725859,0.6515060653827702,0.7405763827016654,0.6951631142485094,0.6827624905763827
EOS-3-49684,COc1cc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1ccc(Cl)nc1,AWDOAGSKJITRSO-UHFFFAOYSA-N,3,1,0.614,97,83,449.923,5.156,5,0.333,0.68,1.0,0.7761719553149201,0.8290641491330272,0.7827085189500377,0.7223716674662464,0.7775790727160579
EOS-3-49685,Fc1ncc(COc2cncc3nnc(-c4ccc(C(F)F)nn4)n23)cc1Cl,IXGNJMCQXBHONU-UHFFFAOYSA-N,3,1,0.416,68,244,407.743,3.285,4,0.469,0.67,0.998,0.7440716880268659,0.7467360016448495,0.8592882598862313,0.8444332122541293,0.798632290453019
EOS-3-49686,Cc1cnc(-c2c(F)ccc(-c3nnc4cncc(OCCc5ncc(F)s5)n34)c2F)cn1,WJERMMPNAVTOFB-UHFFFAOYSA-N,3,1,0.484,37,141,469.452,4.052,5,0.371,0.55,1.0,0.7703892810636694,0.8018041943663903,0.5203635802892194,0.5318860941676375,0.6561107874717291
EOS-3-49687,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5c(F)cccc5F)n34)cc2Cl)ncc1F,CGUHYIBUWDAREB-UHFFFAOYSA-N,3,1,0.471,13,145,468.826,5.42,5,0.35,0.68,1.0,0.9390720307038586,0.952342197244877,0.92467103008704,0.929905421150024,0.9364976697964499
EOS-3-49688,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c(F)c1,SIEDFCKYFHQFEA-UHFFFAOYSA-N,3,1,0.44,13,145,452.852,5.399,5,0.357,0.65,1.0,0.737877801384415,0.7934857103694058,0.9219724487697896,0.9226663696799396,0.8440005825508875
EOS-3-49689,Cc1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4OCc4ccc(F)c(F)c4)n23)nc1,TVUQHKVSBXDAEF-UHFFFAOYSA-N,3,1,0.402,45,13,463.875,5.672,5,0.336,0.76,0.999,0.5535347131793571,0.6562521417312042,0.962579672400795,0.9615088067987115,0.783468833527517
EOS-3-49690,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)cn4)n23)cs1,OFUGMUJLTVAWOK-UHFFFAOYSA-N,3,1,0.4,31,760,409.41,2.156,5,0.434,0.65,1.0,0.44635391679802616,0.36346035227194845,0.07813892125282708,0.10926255911178123,0.2493039373586457
EOS-3-49691,CCc1nc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cc(Cl)nc(C)n1,LMLDTDFDZVPEDT-UHFFFAOYSA-N,3,1,0.417,31,690,464.942,4.203,5,0.344,0.56,1.0,0.3987046809677198,0.4382753066959084,0.11242375436913166,0.11862620793639915,0.26700748749228975
EOS-3-49693,Clc1cncc(COc2cncc3nnc(-c4cnc(Cl)c(Cl)c4)n23)c1,YTXIVVLNJXSQDZ-UHFFFAOYSA-N,3,1,0.5,90,555,407.648,4.121,4,0.474,0.74,1.0,0.747164347885683,0.8495562332944966,0.8666386813789322,0.9268127612912069,0.8475430059625797
EOS-3-49694,CCc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)nc(Cl)c5)n34)c2)cn1,KUFATMOTCDEKJM-UHFFFAOYSA-N,3,1,0.488,97,55,478.343,5.092,5,0.314,0.78,1.0,0.6557895277911041,0.6754591871701734,0.6617435405386882,0.6807278459324241,0.6684300253580975
EOS-3-49695,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5cncc(Cl)n5)n4)n23)c1,IIUQIDGNWLZMCY-UHFFFAOYSA-N,3,1,0.278,64,176,477.919,4.729,6,0.358,0.61,0.991,0.20438112535124392,0.22347680076759646,0.3330991707216778,0.42352306216160646,0.29612003975053114
EOS-3-49696,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)c(F)c1,OQZPLHNWIXPQIA-UHFFFAOYSA-N,3,1,0.5,71,402,483.471,2.495,6,0.351,0.6,1.0,0.5329655266945378,0.5695120279624426,0.24520252210266602,0.25507161949146734,0.40068792406277837
EOS-3-49697,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCCc3cc(Cl)cnn3)n12,NAIRPRCLBDRCMH-UHFFFAOYSA-N,3,1,0.426,58,710,474.912,3.712,5,0.31,0.61,1.0,0.6096223699540813,0.5988537454595299,0.12396340209718319,0.14569769035706942,0.36953430196696596
EOS-3-49698,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cccc(F)c6)ns5)n34)cc2)nc1,OOCNMOJOSUSHTD-UHFFFAOYSA-N,3,1,0.416,3,203,469.48,5.317,6,0.348,0.71,1.0,0.17339455828935646,0.3919710780618189,0.6752278802001234,0.7693098485367692,0.5024758412720169
EOS-3-49699,Cc1nc(-c2cncc(-c3nnc4cncc(C(F)(F)c5ncccc5Cl)n34)c2)cs1,NBAXNOQQNAKMMW-UHFFFAOYSA-N,3,1,0.372,85,81,455.881,4.807,5,0.387,0.56,1.0,0.27208553217736964,0.41114385580152146,0.8772873689260503,0.812641354259475,0.5932895277911041
EOS-3-49700,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncc(Cl)n6)nc5)n34)cn2)n(C)n1,IZEJXGUCWBOLHX-UHFFFAOYSA-N,3,1,0.349,70,968,480.923,4.068,6,0.371,0.59,0.999,0.15723733808512097,0.2130594201905284,0.31457747926804197,0.32456651360427663,0.252360187786992
EOS-3-49701,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)cc(F)n2)cc1F,OAQMPZWZQWJHKA-UHFFFAOYSA-N,3,1,0.43,13,145,450.836,5.281,5,0.347,0.63,1.0,0.7106435473922281,0.7809008978137207,0.902362757864437,0.911932012884655,0.8264598039887602
EOS-3-49702,Cc1cc(C)c(-c2nnc3cncc(-c4cccc(-c5cnn(C(F)F)c5)c4)n23)cn1,SZWLMFUAOLRZII-UHFFFAOYSA-N,3,1,0.299,82,478,417.423,4.729,5,0.423,0.62,1.0,0.13526317593036805,0.24390034953053252,0.8355664450688781,0.7565793982592008,0.4928273421972449
EOS-3-49703,CCNC(=O)c1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)cn1,SDHIAGDIIDLJMI-UHFFFAOYSA-N,3,1,0.385,46,128,487.911,3.02,5,0.367,0.66,1.0,0.4280121307655404,0.4247395654855733,0.16003872250017134,0.12752724282091701,0.28507941539305054
EOS-3-49704,Cc1cc(C)nc(COc2cncc3nnc(-c4ccc(F)c(Oc5ccc(F)cc5F)c4)n23)n1,AMERABNBWPWDRI-UHFFFAOYSA-N,3,1,0.489,34,145,478.434,4.987,5,0.34,0.72,1.0,0.8888270166541018,0.932149955451991,0.8387961757247618,0.7857754780344047,0.8613871564663148
EOS-3-49705,Fc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)c1,XURNGNZCZFZYER-UHFFFAOYSA-N,3,1,0.413,69,695,433.446,5.919,6,0.345,0.79,1.0,0.3016157220204235,0.39667431978616957,0.877295935850867,0.8965286820642862,0.6180286649304365
EOS-3-49706,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cnsc5)c(Cl)n4)n23)nc1,PRBBTLUKJBBFDJ-UHFFFAOYSA-N,3,1,0.382,51,196,457.306,3.986,5,0.365,0.51,1.0,0.4971300801864163,0.5139983551504352,0.34779144678226304,0.4707610856007128,0.4574202419299568
EOS-3-49707,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)c(Cl)c4)n23)cn1,UKJKSOODVLJWGG-UHFFFAOYSA-N,3,1,0.304,42,693,483.898,4.503,6,0.364,0.68,0.835,0.2534353368514838,0.3492049893770132,0.577265094921527,0.657211637310671,0.45927926461517377
EOS-3-49708,Fc1cnncc1COc1cncc2nnc(-c3cnnc(-c4ccc(Cl)nc4)c3)n12,KYIGSEJVWAZGKI-UHFFFAOYSA-N,3,1,0.449,55,875,435.81,2.805,5,0.384,0.42,1.0,0.6923017613597423,0.7682903844835858,0.5707456651360427,0.6078832842162977,0.6598052737989172
EOS-3-49709,CCCc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)ccc1F,GPIUDBJILQLSLI-UHFFFAOYSA-N,3,1,0.447,0,646,403.461,3.833,4,0.531,0.86,1.0,0.4029881433760537,0.3102511822356247,0.59959906791858,0.4583476115413611,0.4427965012679049
EOS-3-49710,c1cnc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccoc6)cc5)n34)n2)nc1,ZGZYQLNTEIOIQY-UHFFFAOYSA-N,3,1,0.316,8,927,408.385,2.484,6,0.432,0.66,1.0,0.02330203550133644,0.032083133438420945,0.0517613597423069,0.09867384003837983,0.05145509218011103
EOS-3-49711,Clc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccccc4Cl)n23)c1,ZYBPJGCQMGGUPD-UHFFFAOYSA-N,3,1,0.443,83,533,418.287,5.827,5,0.37,0.88,1.0,0.20438969227606057,0.44703070385854293,0.9067233225961209,0.962117058460695,0.6300651942978548
EOS-3-49712,Cc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,GIPFVNXTOSMUHI-UHFFFAOYSA-N,3,1,0.566,11,56,408.465,4.178,5,0.419,0.81,1.0,0.7012970324172435,0.6318449729285176,0.4993060790898499,0.44244739908162567,0.5687238708793092
EOS-3-49713,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)ccc1F,KTSJOCHAGUZZHW-UHFFFAOYSA-N,3,1,0.542,59,607,470.842,4.842,5,0.344,0.64,1.0,0.902337057089987,0.8945497224316359,0.9536957713659104,0.9540727160578438,0.9261638167363443
EOS-3-49714,FC(F)c1ccc(-c2nnc3cncc(CCc4nnc(-c5cncnc5)cc4Cl)n23)cc1,CVXKNGLCHSOQIX-UHFFFAOYSA-N,3,1,0.402,85,81,464.867,4.415,5,0.367,0.5,1.0,0.37648207799328354,0.589695702830512,0.7302875059968473,0.7857840449592214,0.620562332944966
EOS-3-49715,CC(O)c1nc(-c2cncc3nnc(-c4ccc(-c5cncn5C)cc4)n23)nc2c(F)cc(F)cc12,CNCRWVNUBOMTBO-UHFFFAOYSA-N,3,1,0.308,96,856,484.47,4.134,6,0.401,0.6,0.678,0.329869440065794,0.3731923788636831,0.67523644712494,0.6314937290110342,0.5024479987663628
EOS-3-49716,O=C(NCCO)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4F)n23)nc1,BAUMHJUDBPTPSC-UHFFFAOYSA-N,3,1,0.389,0,686,491.483,1.187,5,0.411,0.8,0.999,0.10569015146323076,0.019695360153519293,0.011565348502501542,0.020080871770269345,0.039257932972380234
EOS-3-49717,Cc1ccc(-c2nnc3cncc(CCc4nc(-c5cccnc5F)ccc4Cl)n23)c(F)c1,DOHZZXPRBRZFBY-UHFFFAOYSA-N,3,1,0.373,14,358,462.891,5.274,5,0.333,0.67,1.0,0.43931190459872527,0.680599342060174,0.8036974847508739,0.8583972997052978,0.6955015077787676
EOS-3-49718,Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ccc1F,MFFQYXOTMFLANY-UHFFFAOYSA-N,3,1,0.4,63,505,402.433,3.117,5,0.554,0.84,1.0,0.16802309642930574,0.16844287574532246,0.2780481118497704,0.3503529573024467,0.2412167603317113
EOS-3-49719,Clc1nsc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)nc2)n1,DDUMGDGFQVXCES-UHFFFAOYSA-N,3,1,0.284,76,543,470.909,3.877,6,0.377,0.53,0.984,0.10318860941676376,0.19892399424302654,0.09943629634706326,0.19910389966417655,0.15016319991775753
EOS-3-49720,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(CC#N)c(Cl)c4)n23)cc1,RGVSPMPYJWWGKS-UHFFFAOYSA-N,3,1,0.402,0,999,402.845,3.537,4,0.563,0.84,1.0,0.32460934822835996,0.3634689191967651,0.8175245014049757,0.7667740387910356,0.5680942019052841
EOS-3-49721,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3cc(F)c(Cl)nn3)n12,DLOOSGULCQKMNY-UHFFFAOYSA-N,3,1,0.42,31,456,481.879,2.799,5,0.345,0.57,0.972,0.5329740936193544,0.5140069220752519,0.1991895689123432,0.17711260365979029,0.35582079706668496
EOS-3-49722,c1nc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cnn2)co1,NHCLVPIASVLEAW-UHFFFAOYSA-N,3,1,0.319,38,608,409.369,2.953,6,0.428,0.64,1.0,0.2180967719827291,0.13063703652936742,0.2595264203961346,0.2640754574737852,0.21808392159550405
EOS-3-49723,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,YLUNUEXKEDJGON-UHFFFAOYSA-N,3,1,0.516,44,531,479.878,4.505,5,0.331,0.66,1.0,0.8715218285244328,0.8759937632787335,0.7526985813172503,0.7834709752587211,0.8209212870947845
EOS-3-49724,Clc1cccc(-c2cnnc(Cc3cncc4nnc(-c5cccnc5-c5cccnc5)n34)c2)n1,YGGUPFWXVGKLKB-UHFFFAOYSA-N,3,1,0.347,32,693,477.919,4.345,6,0.337,0.59,0.999,0.28281988897265437,0.2743214995545199,0.4073744088821877,0.5015420464670002,0.36651446096909057
EOS-3-49725,CCOc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)nc2)cn1,GCORKKTUHWHIIS-UHFFFAOYSA-N,3,1,0.33,69,818,460.497,5.574,6,0.321,0.77,1.0,0.282828455897471,0.22853985333424714,0.6885323144404085,0.6046192858611473,0.4511299773833185
EOS-3-49726,CC#Cc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6nccn6C)cc5)n34)s2)c1,ARRWYTWUURUZDH-UHFFFAOYSA-N,3,1,0.293,9,641,474.553,4.749,6,0.343,0.64,1.0,0.07716229182372696,0.09499862929202933,0.3891011582482352,0.37314954423959973,0.23360290590089783
EOS-3-49727,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(C)=O)cn4)n23)cc1,PDVBIAAQOUUARF-UHFFFAOYSA-N,3,1,0.524,63,12,403.402,1.722,4,0.483,0.86,1.0,0.47239736824069634,0.1727177712288397,0.08755397162634501,0.019258446987869233,0.18798188952093758
EOS-3-49728,CCn1cc(-c2cncc3nnc(-c4nccnc4-c4cc(F)ccn4)n23)c(-c2ccccc2)n1,VQJMGXVUGMIIES-UHFFFAOYSA-N,3,1,0.273,64,365,463.48,4.333,6,0.375,0.51,0.999,0.06189603180042492,0.14515797409361936,0.22026420396134602,0.30946302515249124,0.18419530875197038
EOS-3-49729,c1ccc(-c2nccnc2COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1,FDHSLKZFOWNTSQ-UHFFFAOYSA-N,3,1,0.506,12,427,463.526,4.951,6,0.345,0.65,1.0,0.5047460763484339,0.4557689671715441,0.4253820848468234,0.42681276129120693,0.4531774724145021
EOS-3-49730,Cc1ncc(C(F)F)cc1C(F)(F)c1cncc2nnc(-c3ccc(Cl)nc3)n12,OBCFEYHABZMFIN-UHFFFAOYSA-N,3,1,0.397,68,455,422.773,4.621,4,0.354,0.64,0.987,0.33230244671372766,0.5414810499623055,0.9959649784113495,0.9915787129052156,0.7153317969981496
EOS-3-49731,Fc1c(Cl)cccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)cn1,GNLRDJCNGYYMDX-UHFFFAOYSA-N,3,1,0.309,42,171,480.894,5.165,6,0.343,0.75,0.992,0.3418117332602289,0.4912103351380988,0.8607789048043314,0.8798146117469673,0.6434038962374066
EOS-3-49732,Cc1ccc(-c2nnc3cncc(-c4cnc(CO)nc4OC4CCS(=O)(=O)CC4F)n23)cn1,SCSUELNVIYIVBX-UHFFFAOYSA-N,3,1,0.333,63,66,485.501,1.348,5,0.439,0.6,1.0,0.24543382907271605,0.2794873552189706,0.017896305942019054,0.07253615242272633,0.15383841066410803
EOS-3-49733,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)nc2C)nc1,BUKZRPBZFWFEPP-UHFFFAOYSA-N,3,1,0.394,46,717,479.331,4.541,5,0.339,0.67,1.0,0.7136591049276951,0.6268932903844836,0.4579449660749777,0.4858645740524981,0.5710904838599137
EOS-3-49734,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cc(F)nc(Cl)n5)n34)c2)nc1,NLYORCCUPFHCDW-UHFFFAOYSA-N,3,1,0.4,18,181,466.839,3.591,5,0.276,0.6,1.0,0.7013055993420602,0.67546775409499,0.5338393530258378,0.5836388869851278,0.623562898362004
EOS-3-49735,CC(F)(c1cccc(F)c1)c1ncnc(-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)n1,YCQRWEPRAYOBRI-UHFFFAOYSA-N,3,1,0.34,29,704,465.414,4.953,5,0.342,0.65,1.0,0.4139538071413885,0.6464173120416695,0.9644215612363786,0.936947433349325,0.7404350284421903
EOS-3-49736,Cn1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)ccc2F)cn1,YIYXMKFSIRHTQC-UHFFFAOYSA-N,3,1,0.512,13,145,440.36,4.541,5,0.303,0.64,1.0,0.6126379274895484,0.737672195188815,0.977203413062847,0.9696045507504626,0.8242795216229182
EOS-3-49737,Fc1cnc(C2CCC2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,DMTIFOPEJKEMBC-UHFFFAOYSA-N,3,1,0.649,90,636,409.852,4.825,5,0.472,0.77,1.0,0.9775974916044137,0.969570283051196,0.5439140566102392,0.7643667329175519,0.8138621410458502
EOS-3-49738,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)ccc1C(F)F,HPRUNJGZIRYUMX-UHFFFAOYSA-N,3,1,0.667,23,240,453.251,5.796,4,0.371,0.7,1.0,0.9926581454321157,0.9934891371393325,0.9943029949969159,0.9973785210060997,0.994457199643616
EOS-3-49741,Cn1ccc(-c2ccc(-c3nnc4cncc(-c5ccc6cnN(CCCC5)C6=O)n34)cc2)n1,QJABYJHCLOUDAS-UHFFFAOYSA-N,3,1,0.354,5,741,450.506,3.514,6,0.476,0.56,0.996,0.1352717428551847,0.08564354739222808,0.005302926461517374,0.007367555342334316,0.05839644301281612
EOS-3-49742,Cc1nnc(-c2cnc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)nc2F)s1,RDQNRPCISSGROJ-UHFFFAOYSA-N,3,1,0.446,31,773,469.893,3.217,5,0.273,0.65,1.0,0.6181721609211157,0.6084658351038311,0.08250805290932767,0.13607703378795147,0.36130577068055647
EOS-3-49743,Cc1ccc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)cn5)n34)c2)c(F)c1,HWOYAPWZLFQTLS-UHFFFAOYSA-N,3,1,0.424,57,18,445.885,5.533,5,0.355,0.68,1.0,0.6589164553491879,0.755414296484134,0.9162154752929889,0.9162497429922555,0.8116989925296415
EOS-3-49744,Fc1nc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)ccc1-c1ncccn1,RBPOPJZDCDFTOU-UHFFFAOYSA-N,3,1,0.442,27,242,468.374,3.775,5,0.284,0.64,0.99,0.6834949626482077,0.7329775203892811,0.9115122335686382,0.8286272359673772,0.7891529881433761
EOS-3-49745,Fc1ccc(-c2cccc(-c3nnc4cncc(COCc5ccc(Cl)c(F)c5)n34)c2)cn1,SLHBKPVXJOITPZ-UHFFFAOYSA-N,3,1,0.632,57,962,463.875,5.502,5,0.311,0.76,1.0,0.6380645603454184,0.772462476869303,0.9711551641422795,0.9743077924748133,0.8389974984579536
EOS-3-49746,Cc1cc(-c2ccc(Cl)cn2)ccc1-c1nnc2cncc(OCc3cccc(Cl)n3)n12,BWGAPBPDUMYSGF-UHFFFAOYSA-N,3,1,0.473,1,31,463.328,5.443,5,0.323,0.74,1.0,0.7409618943184154,0.7595092865465013,0.8138835583578918,0.8426512918922624,0.7892515077787677
EOS-3-49747,Fc1cnc(-c2cnc(Cl)cn2)c(-c2nnc3cncc(Br)n23)c1,VZXHVNNBYGJTJS-UHFFFAOYSA-N,3,1,0.525,50,861,406.606,3.198,4,0.508,0.63,0.999,0.26937838393530256,0.43828387362072513,0.46132033445274484,0.6403776300459187,0.4523400555136728
EOS-3-49748,CCn1nc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1ccc(C(F)F)nc1,YSWVCBVHAHJTBP-UHFFFAOYSA-N,3,1,0.45,95,235,480.454,4.163,5,0.329,0.68,0.294,0.407314440408471,0.3392844904393119,0.5542543348639573,0.505003084092934,0.45146408745116856
EOS-3-49749,Cc1nc(F)cnc1-c1cccc(COc2cncc3nnc(-c4ccc(C(N)=O)c(Cl)c4)n23)c1,HPNDTRHEIAHZKH-UHFFFAOYSA-N,3,1,0.479,1,230,489.898,4.027,5,0.382,0.77,1.0,0.7986944006579398,0.5414896168871222,0.6236721266534165,0.5771708587485436,0.6352567507367556
EOS-3-49750,Fc1nnc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cncc(Cl)c1,FHXSRKFOAAYPLP-UHFFFAOYSA-N,3,1,0.438,54,141,483.294,4.106,5,0.356,0.63,0.996,0.8042372010143239,0.7376807621136316,0.6177181139058323,0.7304759783428141,0.7225280138441506
EOS-3-49751,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5nnc(C(F)(F)F)s5)nc4)n23)c(F)c1,ZUWQREPLBUDWFN-UHFFFAOYSA-N,3,1,0.483,13,251,477.378,4.794,5,0.344,0.71,0.999,0.7200243300664794,0.8617983688575149,0.9056267562195874,0.8516722637242136,0.8347804297169488
EOS-3-49752,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)nc2)nc1,RIORFKBDZCODJG-UHFFFAOYSA-N,3,1,0.307,50,775,405.784,2.893,5,0.451,0.75,1.0,0.3172760605852923,0.4645586320334453,0.25259577821945034,0.3634346514974985,0.3494662805839216
EOS-3-49753,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)cc2Cl)s1,FFXJPUIIXVKIES-UHFFFAOYSA-N,3,1,0.477,13,145,455.33,5.717,5,0.345,0.81,1.0,0.5701117126996094,0.759517853471318,0.6667980261805222,0.7834795421835378,0.6949767836337468
EOS-3-49754,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5sncc5Cl)n34)nc2F)nc1,QKWXTWRDLIRVKK-UHFFFAOYSA-N,3,1,0.42,46,62,454.878,3.78,5,0.369,0.53,0.971,0.6293005962579672,0.5742238366116099,0.2202727708861627,0.2817490233705709,0.42638655678157766
EOS-3-49755,Fc1cnc(F)c(F)c1COc1cncc2nnc(-c3ccc(-c4nccs4)cc3Cl)n12,XHPSROUJKWKMTQ-UHFFFAOYSA-N,3,1,0.461,59,89,474.855,4.96,5,0.335,0.76,1.0,0.8300664793365773,0.8838496333356178,0.9115208004934549,0.9162583099170721,0.8854238057706805
EOS-3-49756,COCCc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)o1,IBPLFAYODQTZPU-UHFFFAOYSA-N,3,1,0.5,4,655,467.938,4.929,5,0.319,0.74,1.0,0.5898670413268453,0.5232934685765198,0.4579535329997944,0.43919196765129187,0.5025765026386129
EOS-3-49757,Cn1cncc1-c1cnnc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)c1,FNMSYOKAAOGGTN-UHFFFAOYSA-N,3,1,0.375,53,643,421.371,2.234,5,0.398,0.46,0.991,0.49216983071756565,0.34437324378041256,0.5272428209170036,0.4796621204852306,0.46086200397505306
EOS-3-49758,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)c2)nc1,WZKRMRBKKMCWAL-UHFFFAOYSA-N,3,1,0.419,2,422,410.441,3.234,5,0.435,0.62,1.0,0.3987132478925365,0.23854602152011514,0.2742872318552532,0.1854396545815914,0.27424653896237405
EOS-3-49759,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1cnc(C)nc1C,QSJSNKFJWLTJKI-UHFFFAOYSA-N,3,1,0.365,31,690,470.512,4.244,5,0.363,0.55,0.999,0.5535432801041738,0.47791446782263036,0.27805667877458706,0.16899972585840586,0.3696285381399493
EOS-3-49760,CN=c1[nH]nc(-c2cccc(-c3nnc4cncc(OCc5cncc(C)n5)n34)c2)s1,KNVKEUBMXHAOHC-UHFFFAOYSA-N,3,1,0.424,4,506,431.485,2.451,5,0.454,0.49,1.0,0.3043400041121239,0.14156843259543556,0.06332670824480845,0.032554314303337675,0.13544736481392639
EOS-3-49761,N#Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(CO)nc5)n34)ncn2)cn1,UHYBUXREMOGKGD-UHFFFAOYSA-N,3,1,0.333,50,974,408.385,1.464,5,0.462,0.66,1.0,0.25095092865465013,0.2385545884449318,0.27429579878006993,0.24596497841134946,0.2524415735727503
EOS-3-49762,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc(-c2ccnc(Cl)c2)n1,PLIOUTJABVZYAR-UHFFFAOYSA-N,3,1,0.488,55,390,469.267,4.063,5,0.281,0.65,1.0,0.6589250222740045,0.8920824480844356,0.6502638612843533,0.7170858748543623,0.7295893016242889
EOS-3-49763,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3cccnc3-c3ccc(-c4nnco4)cn3)n12,BRFKBGLSGOVBGR-UHFFFAOYSA-N,3,1,0.34,32,572,470.855,4.758,6,0.363,0.57,1.0,0.34882804468507983,0.6269018573093003,0.672220889589473,0.7435576725378658,0.5978771160304297
EOS-3-49764,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cccnc4)c(Cl)c3)n12,KCJOPNMJQLRRLL-UHFFFAOYSA-N,3,1,0.512,97,91,467.291,5.273,5,0.328,0.71,1.0,0.9390805976286752,0.9273096429305736,0.9444948941128093,0.9584761154136111,0.9423403125214174
EOS-3-49765,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(C(F)(F)F)n5)n34)c2)nc1,BXZFQOGKDUIHQE-UHFFFAOYSA-N,3,1,0.516,27,921,482.401,3.818,5,0.337,0.63,1.0,0.9159241998492221,0.8838582002604345,0.7527071482420671,0.6015951614008636,0.7885211774381468
EOS-3-49766,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cc(F)cc(F)c5F)cc4F)n23)cn1,DZSSJJGKHSKIMG-UHFFFAOYSA-N,3,1,0.42,45,46,478.409,4.97,5,0.291,0.79,1.0,0.23745802206839833,0.42027619765608937,0.952342197244877,0.9333664587759578,0.6358607189363306
EOS-3-49767,Cn1cnnc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)c(Cl)c1,HHXAERILQYEULO-UHFFFAOYSA-N,3,1,0.27,99,765,488.878,2.632,6,0.367,0.69,1.0,0.17611027345624014,0.3685062709889658,0.14167123569323556,0.255080186416284,0.2353419916386814
EOS-3-49768,CC(C)(O)c1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)c2)cn1,MHNFDNXSTHGJEN-UHFFFAOYSA-N,3,1,0.494,82,205,482.504,2.549,5,0.356,0.68,1.0,0.472405935165513,0.21306798711534508,0.440040093208142,0.1910509903365088,0.32914125145637724
EOS-3-49769,Cc1cc(-c2nnc3cncc(CCc4nc(-c5nnccc5F)nn4C)n23)ccn1,SQOWWINKWMIDHQ-UHFFFAOYSA-N,3,1,0.359,85,60,416.424,2.005,5,0.428,0.59,0.992,0.20994105955726133,0.22348536769241314,0.012062230141868274,0.02008943869508601,0.11639452402165719
EOS-3-49770,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)cn5)ncn4)n23)cn1,HKPGVGDPOLKRBA-UHFFFAOYSA-N,3,1,0.516,27,930,485.817,3.685,5,0.367,0.65,1.0,0.8042457679391406,0.8968627921321363,0.8229901994380098,0.7090758001507779,0.8082936399150162
EOS-3-49771,Cc1ncc(Cl)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)s2)n1,ADXZPAIPLIHELI-UHFFFAOYSA-N,3,1,0.343,52,423,487.976,4.831,6,0.381,0.83,1.0,0.26938695086011927,0.2847217462819546,0.17607600575697346,0.25794153930505104,0.2470315605510246
EOS-3-49772,FC(F)(F)c1ncc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cn1,OZNBIKMLGPEDFB-UHFFFAOYSA-N,3,1,0.56,27,679,483.841,4.895,5,0.351,0.74,1.0,0.9253563840723734,0.9674114179973956,0.9433126584881091,0.8936416284010692,0.9324305222397368
EOS-3-49773,Cc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(C)c(C(F)(F)F)c5)n34)cn2)cn1,ZOYAKJPXNSNMJP-UHFFFAOYSA-N,3,1,0.488,7,408,478.438,4.253,5,0.369,0.58,1.0,0.720032896991296,0.7467445685696662,0.8905318346926188,0.7411246658899322,0.7746084915358783
EOS-3-49775,Cc1cnc(-c2nc(C)n(C)c2-c2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)s1,CUYGVWSWISIOIN-UHFFFAOYSA-N,3,1,0.232,86,944,467.522,3.179,6,0.384,0.46,0.0,0.056635939962990885,0.03514152559797135,0.012524844081968337,0.011291206908368172,0.028898379137824688
EOS-3-49776,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cc1F,TWZHAABEDUKXQC-UHFFFAOYSA-N,3,1,0.327,93,68,446.489,5.759,6,0.346,0.73,1.0,0.0212631073949695,0.2588324994859845,0.90009252278802,0.9003409636077033,0.5201322733191693
EOS-3-49777,COc1cc(-c2nnc3cncc(OCc4cc(-c5nnc(CO)n5C)ncn4)n23)ccc1Cl,VTNNOHXNJDLVCU-UHFFFAOYSA-N,3,1,0.454,36,463,479.888,2.11,5,0.369,0.59,1.0,0.4601637996024947,0.6318535398533343,0.10984510999931464,0.11641594133369886,0.32956959769721067
EOS-3-49778,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cnn2)cn1,XDENIFLKFSIKGL-UHFFFAOYSA-N,3,1,0.402,92,662,414.433,1.968,5,0.425,0.53,1.0,0.20439825920087726,0.1139572339113152,0.055702145157974094,0.027782537180453704,0.10046004386265507
EOS-3-49779,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)c(F)c1,URQKBQASBQUQEV-UHFFFAOYSA-N,3,1,0.305,39,27,485.433,4.128,6,0.37,0.66,1.0,0.2264495236789802,0.33929305736412857,0.6722294565142897,0.7411332328147489,0.4947763175930368
EOS-3-49780,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4F)n23)c(F)c1,YRYSJCFBGJHTCI-UHFFFAOYSA-N,3,1,0.284,39,27,485.433,4.128,6,0.37,0.65,1.0,0.24822664656294977,0.3685148379137825,0.6858337331231581,0.7514221095195669,0.5134993317798643
EOS-3-49781,Cc1nc(-c2nnc3cncc(OCCc4cn(C)nc4F)n23)c(F)cc1-c1cncc(F)n1,SSAQFVGBUZBSIZ-UHFFFAOYSA-N,3,1,0.408,31,773,467.415,2.724,5,0.375,0.46,1.0,0.45575183332191077,0.4291857994654239,0.2963042286340895,0.29364848194092247,0.36872258584058665
EOS-3-49782,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)cn1,KVOOLGUAZOTNNI-UHFFFAOYSA-N,3,1,0.645,97,214,406.409,3.094,5,0.437,0.75,1.0,0.8121187718456583,0.6269104242341169,0.635057569734768,0.5481118497704064,0.6555496538962374
EOS-3-49783,Clc1ccnc(CCOc2cncc3nnc(-c4ccc(Oc5ccncn5)cc4Cl)n23)c1,JSMUZBJOUUIBGC-UHFFFAOYSA-N,3,1,0.516,11,490,480.315,4.697,5,0.331,0.69,1.0,0.8042543348639573,0.8495648002193132,0.6968593653622096,0.7304845452676307,0.7702907614282777
EOS-3-49784,Fc1ccc(Cl)cc1-c1nnc2cncc(Cc3ccc(Cl)c(-c4cccnc4F)n3)n12,IVTJYBGMVLTAOJ-UHFFFAOYSA-N,3,1,0.368,45,358,469.282,5.424,5,0.329,0.73,0.996,0.36245802206839833,0.555368035090124,0.9229405112740731,0.959846823384278,0.7001533479542184
EOS-3-49785,NC(=O)c1ccc(-c2nnc3cncc(C4CCC(c5n[nH]c(-c6ncccn6)n5)C4)n23)cc1,PUONBOZRCUJEKY-UHFFFAOYSA-N,3,1,0.368,52,334,452.482,2.517,6,0.412,0.5,1.0,0.0933023781783291,0.11116441642108149,0.013038859570968404,0.02158008361318621,0.059771434445891294
EOS-3-49786,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)nc5Cl)n34)ccn2)nc1,JTOFIJXUJVRIDL-UHFFFAOYSA-N,3,1,0.477,75,359,480.319,3.67,5,0.359,0.57,1.0,0.7530498252347337,0.7145157974093619,0.16325131930642175,0.24023370570899868,0.46776266191487903
EOS-3-49787,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)cc2Cl)cs1,LGIAQWLMGSIPHA-UHFFFAOYSA-N,3,1,0.68,4,92,439.953,5.517,5,0.361,0.74,1.0,0.5928140634637791,0.7724710437941197,0.5962751010897128,0.6141114385580152,0.6439179117264067
EOS-3-49788,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(Cl)c4)n23)s1,OKDRRSYXFXKIDV-UHFFFAOYSA-N,3,1,0.337,76,176,470.949,5.031,6,0.359,0.66,0.952,0.0794924953738606,0.2034044959221438,0.3664073744088822,0.48587314097731477,0.28379437667055035
EOS-3-49789,Cc1nc(C)c(-c2nnc3cncc(-c4ccc(-c5c(C)nn(C)c5C)cc4F)n23)cc1Cl,DVNBBGQTTIBRGO-UHFFFAOYSA-N,3,1,0.309,61,336,461.932,5.28,5,0.365,0.65,0.783,0.19886402576930984,0.3295438969227606,0.5338479199506545,0.5116167500514015,0.3934681481735316
EOS-3-49790,Cc1ccc(-c2nnc3cncc(CCc4cccc(-c5nccc(C)n5)n4)n23)cc1,HARIGPLRHLODIB-UHFFFAOYSA-N,3,1,0.387,14,886,407.481,4.045,5,0.437,0.75,1.0,0.24544239599753273,0.18974025083955864,0.20263347268864368,0.18544822150640805,0.20581608525803577
EOS-3-49791,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)s1,KVSKAJLYQKNRQS-UHFFFAOYSA-N,3,1,0.544,97,409,410.846,4.135,5,0.43,0.69,1.0,0.7987029675827565,0.7053406209307107,0.4178431910081557,0.42046467000205606,0.5855878623809198
EOS-3-49792,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc(Cl)n2)n1,SJGSCHIMZLHGBB-UHFFFAOYSA-N,3,1,0.5,4,486,470.345,4.899,5,0.338,0.67,1.0,0.5839044616544445,0.6854653553560414,0.4613289013775615,0.5249040504420533,0.5639006922075251
EOS-3-49793,CCOCc1cc(-c2cn(CC)cn2)cc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,AJDKMENLANFRCI-UHFFFAOYSA-N,3,1,0.529,26,393,469.549,4.228,5,0.302,0.64,1.0,0.32987800699061065,0.11396580083613186,0.45456103077239396,0.2936570488657392,0.2980154718662189
EOS-3-49794,Clc1cccc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)c1,WYSIFONJLKMKQN-UHFFFAOYSA-N,3,1,0.641,57,962,448.313,5.739,5,0.343,0.71,1.0,0.5380457131108217,0.7595264203961346,0.9180316633541225,0.9521708587485436,0.7919436639024056
EOS-3-49795,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,ZRXJIGAJMXFVSO-UHFFFAOYSA-N,3,1,0.5,35,604,479.903,4.009,5,0.326,0.64,1.0,0.7013141662668768,0.6035826879583305,0.6530224110753204,0.5582550887533411,0.6290435885134672
EOS-3-49796,COc1nc(-c2nccn2C)ccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)nn3)n12,BZQZIDZQFKCFOC-UHFFFAOYSA-N,3,1,0.452,27,52,483.414,2.983,5,0.359,0.6,0.997,0.4231718182441231,0.46456719895826193,0.5508618326365567,0.30947159207730796,0.4370181104790624
EOS-3-49797,Cc1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)cc(-c2ccnc(CF)c2)n1,UWWIMERKYQUSTM-UHFFFAOYSA-N,3,1,0.459,75,661,476.903,4.091,5,0.346,0.58,1.0,0.7349821807963813,0.690399904050442,0.3478000137070797,0.36002501542046467,0.533301778493592
EOS-3-49798,COc1ncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)cc1-c1cccnn1,GHWVBARODVUADQ-UHFFFAOYSA-N,3,1,0.479,87,657,478.875,3.461,5,0.324,0.62,1.0,0.7168203001850456,0.7281200740182304,0.5028699198135838,0.4488468919196765,0.599164296484134
EOS-3-49799,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)c(F)c1,RVNDAAYDLOUSKW-UHFFFAOYSA-N,3,1,0.463,37,482,483.87,3.413,5,0.346,0.63,1.0,0.6154393119045988,0.6562607086560208,0.2853471317935714,0.37629360564731684,0.4833351895003769
EOS-3-49800,Fc1cc(-c2cnnc(Cc3cncc4nnc(-c5ncc(C(F)F)cc5F)n34)c2)ccn1,GSKIOKGKCVRMMO-UHFFFAOYSA-N,3,1,0.286,85,476,452.375,3.845,5,0.295,0.56,1.0,0.35803748886299774,0.4512456308683435,0.8721129463367829,0.8742546775409499,0.6389126859022685
EOS-3-49801,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)ccn1,INPHSLDMNYLWKE-UHFFFAOYSA-N,3,1,0.511,75,624,481.347,4.393,5,0.34,0.67,1.0,0.5329826605441711,0.47328832842162977,0.4993146460146666,0.554802618052224,0.5150970632581728
EOS-3-49802,COCc1cnc(-c2nnc3cncc(-c4c(-c5cncnc5C)cnn4C)n23)cn1,ADMLYQYNAVLWFK-UHFFFAOYSA-N,3,1,0.234,50,828,414.433,1.894,5,0.424,0.54,0.885,0.06360941676375848,0.03515009252278802,0.05931738743060791,0.04168665615790556,0.049940888218764995
EOS-3-49803,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cccc4Cl)n23)cc1F,PQHQVLNWVVCIGS-UHFFFAOYSA-N,3,1,0.57,88,803,481.894,4.623,5,0.337,0.71,1.0,0.7321465286820643,0.8135580152148585,0.6722380234391063,0.7411417997395655,0.7397710917688987
EOS-3-49804,COc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3c(F)cncc3F)n12,JLADXUXYKYIYOC-UHFFFAOYSA-N,3,1,0.5,73,263,480.41,3.086,5,0.347,0.55,1.0,0.8400126790487287,0.7682989514084024,0.45796209992461107,0.4075029127544377,0.618444160784045
EOS-3-49805,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)cc4)n23)cc1,KCKOGMXRNAZOLN-UHFFFAOYSA-N,3,1,0.573,89,230,407.437,3.642,5,0.441,0.74,1.0,0.819888972654376,0.5462785278596395,0.740584949626482,0.6633112877801385,0.692515934480159
EOS-3-49806,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)cn2)cc1=O,YKSLDNNMZMGJRJ-UHFFFAOYSA-N,3,1,0.421,55,283,481.303,3.228,5,0.352,0.6,1.0,0.5839130285792612,0.5322630388595709,0.5338564868754712,0.5709255705571928,0.5552395312178741
EOS-3-49807,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cs1,XNJJGIGSNAZPRU-UHFFFAOYSA-N,3,1,0.489,58,954,457.943,5.39,5,0.342,0.73,1.0,0.7931601672263724,0.7189363306147625,0.6086457405249811,0.6893547392228085,0.7025242443972312
EOS-3-49808,COCC#Cc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccn1,DVABWXJGHWRUJJ-UHFFFAOYSA-N,3,1,0.456,90,555,408.368,2.436,4,0.469,0.64,1.0,0.6835035295730245,0.618163593996299,0.8483482968953464,0.7360102117743814,0.7215064080597628
EOS-3-49809,c1csc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1,XZFNYZALRJRYPG-UHFFFAOYSA-N,3,1,0.338,69,299,432.512,5.644,6,0.36,0.75,1.0,0.15724590500993763,0.25379514769378386,0.6752450140497567,0.7090843670755945,0.4488426084572682
EOS-3-49810,Fc1ccc(Oc2cncc3nnc(-c4cnnc(-c5cncs5)c4)n23)c(F)c1,VZSTXDMKDBNVAX-UHFFFAOYSA-N,3,1,0.453,13,251,409.381,3.775,5,0.446,0.71,1.0,0.5752947022136934,0.6413199917757522,0.6858423000479748,0.7145757658830786,0.6542581899801247
EOS-3-49811,Cc1ccn(-c2nc(F)ccc2COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)n1,WNMALGUDGMNMKO-UHFFFAOYSA-N,3,1,0.41,6,34,480.467,3.251,6,0.331,0.66,1.0,0.35095264203961346,0.3537797272291138,0.20264203961346036,0.17187821259680625,0.2698131553697485
EOS-3-49812,Fc1ncc(-c2cncc3nnc(-c4cc(-c5ncccn5)ccc4Cl)n23)cc1-c1cncnc1,AWQLKBPRTXZGTE-UHFFFAOYSA-N,3,1,0.325,42,106,481.882,4.56,6,0.337,0.69,1.0,0.3323110136385443,0.5140154890000685,0.7527157151668837,0.7857926118840382,0.5962087074223836
EOS-3-49813,Cc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc(-c2ccc(F)c(F)c2)n1,BNIDYFTUCVXWBB-UHFFFAOYSA-N,3,1,0.511,59,607,466.398,4.692,5,0.35,0.57,1.0,0.9102357617709547,0.8646597217462819,0.962014255362895,0.9521794256733603,0.922272291138373
EOS-3-49814,Fc1cnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)nc1,ZWPILUCRUNNUSF-UHFFFAOYSA-N,3,1,0.5,73,665,467.386,3.821,5,0.277,0.63,1.0,0.8556558837639641,0.7595349873209513,0.8355750119936948,0.8407494345829621,0.8228788294153931
EOS-3-49815,Cn1cncc1-c1cc(Cc2cncc3nnc(-c4ccc(C(=O)NCCF)cc4)n23)ccc1Cl,UXKFCNSSAPCPOJ-UHFFFAOYSA-N,3,1,0.412,62,319,489.942,4.135,5,0.371,0.78,1.0,0.2509594955794668,0.2639983551504352,0.6026574600781304,0.5548111849770406,0.4181066239462683
EOS-3-49816,Fc1ccc(-c2nccc(F)c2F)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,UUDNNMIFVNGURY-UHFFFAOYSA-N,3,1,0.62,57,798,467.838,5.503,5,0.341,0.71,1.0,0.9853162908642313,0.9886402576930985,0.9804074429442807,0.9858303063532314,0.9850485744637105
EOS-3-49817,FC(F)c1cccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)n1,IRIYFJQWXWDPKR-UHFFFAOYSA-N,3,1,0.511,75,583,479.878,4.856,5,0.329,0.69,1.0,0.9360564731683915,0.8990473579603866,0.8338787608799945,0.8037917209238572,0.8681935782331573
EOS-3-49818,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)c(Cl)n5)c4)n23)nc1,NQQLMYSILZHUBI-UHFFFAOYSA-N,3,1,0.44,44,348,463.328,5.443,5,0.323,0.74,1.0,0.7819374957165376,0.7376893290384483,0.8265711740113769,0.8464378726612295,0.798158967856898
EOS-3-49819,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccncc5C(F)(F)F)n34)cc2)c1,HUYMTKCBWTXRMJ-UHFFFAOYSA-N,3,1,0.542,1,640,465.41,5.59,5,0.317,0.8,1.0,0.9616116098965115,0.9436039339318758,0.9944743334932493,0.9907134534987321,0.9726008327050921
EOS-3-49820,Fc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccccc5)c4)n23)cnc1Cl,YHVXDORMTYWSAC-UHFFFAOYSA-N,3,1,0.494,97,992,467.291,5.273,5,0.328,0.7,1.0,0.9214155986567062,0.8813052566650675,0.9001010897128366,0.9237372352820231,0.9066397950791584
EOS-3-49821,Cn1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cc(F)c1=O,AUEUCGLUEBJLQJ-UHFFFAOYSA-N,3,1,0.505,58,578,478.875,2.756,5,0.342,0.56,1.0,0.5670875882393256,0.4779230347474471,0.33652594064834485,0.39510657254471937,0.4441607840449592
EOS-3-49822,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)nc2C)o1,JFVJMOXHRQKBFF-UHFFFAOYSA-N,3,1,0.484,84,73,464.888,4.872,5,0.354,0.59,1.0,0.7136676718525118,0.7189448975395792,0.672246590363923,0.6343722157494346,0.6848078438763622
EOS-3-49823,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnn6)cs5)n34)cn2)cn1,VDZHPVZMCJOKFG-UHFFFAOYSA-N,3,1,0.414,6,843,482.533,3.562,6,0.336,0.65,0.999,0.23469090535261464,0.2691984785141526,0.08519806730176135,0.06700191899115894,0.16402234253992187
EOS-3-49824,CCn1c(Oc2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cnc1-c1cnc(C)nn1,PKBORWQXMAJGAH-UHFFFAOYSA-N,3,1,0.284,71,880,478.48,2.812,6,0.348,0.56,0.974,0.2720940991021863,0.13417517647865124,0.013047426495785074,0.013158796518401754,0.10811887464875608
EOS-3-49825,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)n3)n12,OZJOHJVXNAGBQJ-UHFFFAOYSA-N,3,1,0.473,58,28,454.878,3.514,5,0.359,0.49,0.999,0.7076879583304777,0.7683075183332191,0.25953498732095126,0.32783051195942703,0.5158402439860187
EOS-3-49826,Cn1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cncn1CCF,JEGYAWRNJIJRBS-UHFFFAOYSA-N,3,1,0.396,31,569,467.896,3.028,5,0.345,0.5,0.718,0.29117264066890547,0.17709546981015695,0.17608457268179015,0.2315040093208142,0.2189641731204167
EOS-3-49827,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccnc(Cl)n1,MCSCHERBHYLOMM-UHFFFAOYSA-N,3,1,0.447,46,690,479.331,4.487,5,0.328,0.68,0.791,0.5484459598382565,0.6269189911589336,0.370202522102666,0.4235316290864231,0.49227477554656973
EOS-3-49828,Cc1nncc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)n1,VGXSPODMXXSLKK-UHFFFAOYSA-N,3,1,0.421,92,658,413.405,1.153,5,0.395,0.54,0.819,0.47241450209032965,0.30010794325269,0.02428723185525324,0.02083476115413611,0.20441110958810227
EOS-3-49829,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)cn5)ncc4Cl)n23)c(F)c1,PSPBHNGNUROFJK-UHFFFAOYSA-N,3,1,0.5,73,665,482.306,4.977,5,0.349,0.73,1.0,0.9200962922349394,0.930342334315674,0.7974950311836063,0.8407580015077788,0.8721729148104996
EOS-3-49830,Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c(-c2ccccc2)o1,NKGCJDWPKPRFIL-UHFFFAOYSA-N,3,1,0.554,1,992,417.856,4.987,5,0.375,0.7,0.999,0.6409430470838188,0.5278082379549037,0.7121427592351449,0.7118857514906449,0.6481949489411281
EOS-3-49831,Cc1ccccc1-c1ccnc(-c2nnc3cncc(Cc4cccc(Cl)c4)n23)c1,IEAAUBPTALPLTB-UHFFFAOYSA-N,3,1,0.394,14,358,411.896,5.406,5,0.397,0.85,0.998,0.28545850181618804,0.32059146048934273,0.8402953875676787,0.8856058529230347,0.5829878006990611
EOS-3-49832,c1ccc(Oc2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cc1,YWAKVTSJNLPIQH-UHFFFAOYSA-N,3,1,0.671,79,881,409.449,4.6,5,0.391,0.79,1.0,0.6652988143376054,0.5322716057843876,0.5772736618463437,0.5514186827496402,0.5815656911794942
EOS-3-49833,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)c2)s1,VWBXLJRRGDIFSK-UHFFFAOYSA-N,3,1,0.581,84,752,466.929,5.032,5,0.349,0.63,1.0,0.689526077719142,0.7595435542457679,0.7355390309094647,0.7435662394626825,0.7320437255842643
EOS-3-49834,Fc1ccc(-c2nnc3cncc(-c4cnc(F)c(-c5cnc(F)cn5)n4)n23)nc1,CRCBOSUBAGIHGR-UHFFFAOYSA-N,3,1,0.299,50,845,407.319,2.518,5,0.449,0.68,0.983,0.31220444109382495,0.4382924405455418,0.41785175793297236,0.5116253169762183,0.4199934891371393
EOS-3-49835,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnc(C6CC6)s5)nc4)n23)c1,NFWUKKLDGKDYCG-UHFFFAOYSA-N,3,1,0.515,65,981,476.953,4.252,6,0.343,0.63,0.985,0.6096309368788979,0.7467531354944829,0.033522376807621136,0.13608560071276815,0.38149801247344256
EOS-3-49836,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nc2)nc1,QMRHRMSXHBEZEF-UHFFFAOYSA-N,3,1,0.409,41,78,463.526,5.473,6,0.335,0.73,1.0,0.612646494414365,0.4819323555616476,0.520372147214036,0.4614317044753615,0.5190956754163525
EOS-3-49837,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(OC(F)F)cc5)nn4)n23)cc1,XPHAGQQWHITKHO-UHFFFAOYSA-N,3,1,0.433,98,39,486.446,3.436,6,0.352,0.71,1.0,0.07335857720512645,0.2180967719827291,0.5930368035090124,0.5548197519018573,0.3598279761496813
EOS-3-49838,Cn1cc(-c2cnc(-c3nnc4cncc(-c5cnc(-c6nnc(Cl)s6)s5)n34)cn2)cn1,GWRTYEOYXUYKID-UHFFFAOYSA-N,3,1,0.25,86,719,479.942,3.277,6,0.374,0.54,0.984,0.02331060242615311,0.16056130491398807,0.024295798780069905,0.0440168597080392,0.06304614145706257
EOS-3-49839,CCOC(=O)c1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)cn1C,ZFTLERSFDFNGIJ-UHFFFAOYSA-N,3,1,0.385,63,334,404.43,1.996,4,0.491,0.81,0.997,0.24823521348776642,0.08565211431704475,0.147488177643753,0.0494996915907066,0.1327187992598177
EOS-3-49840,N#Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccncn5)n4)n23)cc1,MNJRRROBKHQJJH-UHFFFAOYSA-N,3,1,0.512,89,335,407.397,2.489,5,0.431,0.69,1.0,0.8831728462751011,0.7595521211705846,0.36641594133369887,0.337579672400795,0.5866801452950449
EOS-3-49841,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ncc(Cl)cn5)n34)n2)nc1,FBSKZNKQBWHOBD-UHFFFAOYSA-N,3,1,0.293,86,588,483.858,3.35,6,0.367,0.59,0.981,0.2346994722774313,0.3634774861215818,0.11243232129394833,0.21126036597902817,0.2304674114179974
EOS-3-49842,CCn1c(-c2ccccc2Cl)nnc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,SRSXBHFTYMKTDW-UHFFFAOYSA-N,3,1,0.39,8,474,481.951,4.791,6,0.351,0.69,1.0,0.17071311082173943,0.2588410664108012,0.20265060653827702,0.3407323007333288,0.24323427112603663
EOS-3-49843,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)c1,XWBPWDOKZFYSFH-UHFFFAOYSA-N,3,1,0.449,26,490,481.894,4.623,5,0.337,0.68,1.0,0.6409516140086354,0.5742324035364266,0.7549602494688507,0.7667826057158522,0.6842317181824412
EOS-3-49844,CC(=O)NCc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,FJHROCBCDARMOK-UHFFFAOYSA-N,3,1,0.404,55,242,487.911,2.907,5,0.367,0.67,0.998,0.6236806935782332,0.4111524227263382,0.19231889520937565,0.14081454321156878,0.341991638681379
EOS-3-49845,CCn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)cc1Cl,NIVMUOLSHSBSSP-UHFFFAOYSA-N,3,1,0.489,13,252,471.83,4.933,5,0.338,0.66,1.0,0.5983311630457131,0.7767031046535535,0.862363785895415,0.8826759646357344,0.7800185045576039
EOS-3-49846,CC(C)(C)c1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)cc4)n23)nc1,JOCVMJJEDDEACD-UHFFFAOYSA-N,3,1,0.588,89,19,471.952,5.173,5,0.349,0.69,1.0,0.6468799259817696,0.622421355630183,0.7379549037077651,0.5548283188266739,0.6405211260365979
EOS-3-49847,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)ccc2F)n1,RWOAGSZLDGGIJD-UHFFFAOYSA-N,3,1,0.548,43,138,481.413,4.689,5,0.337,0.7,1.0,0.9348485367692413,0.9254763210198067,0.9715749434582962,0.9394746761702419,0.9428436193543965
EOS-3-49848,Cn1c(CF)nc(Cl)c1CCOc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,NWBGFBJUVXXCGC-UHFFFAOYSA-N,3,1,0.495,75,583,470.921,3.788,5,0.357,0.57,1.0,0.4557604002467274,0.4732968953464464,0.08756253855116168,0.14311904598725242,0.289934720032897
EOS-3-49849,COc1ccccc1-c1nnc2cncc(-c3ccc(C(=O)N4CC(F)C4)cc3)n12,SXDLOISCKPSINT-UHFFFAOYSA-N,3,1,0.481,0,901,403.417,3.261,5,0.523,0.88,1.0,0.38097971352203414,0.32507196216846,0.2452110890274827,0.29979096703447333,0.31276343293811254
EOS-3-49850,Clc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)n2)cc1,XWMRBDLEAAIFMC-UHFFFAOYSA-N,3,1,0.403,93,107,461.916,5.631,6,0.338,0.71,1.0,0.2911812075937222,0.5233020355013365,0.7329946542389144,0.8480998560756631,0.5988944383524091
EOS-3-49852,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)cnn2)c(F)cn1,WVNYWSILWZSCKN-UHFFFAOYSA-N,3,1,0.415,55,875,453.8,2.944,5,0.292,0.56,0.989,0.761865190871085,0.7376978959632651,0.6502724282091701,0.6602957302446714,0.7025328113220479
EOS-3-49853,Fc1cccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c(Cl)n2)c1,VWJWISIRODSJCA-UHFFFAOYSA-N,3,1,0.5,57,146,467.838,5.503,5,0.319,0.79,1.0,0.9390891645534919,0.9564714550065109,0.9704869440065794,0.9807586868617642,0.9617015626070866
EOS-3-49854,Fc1cc(Cl)c(F)c(Cc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)c1,RSZJRSMZHQTDCA-UHFFFAOYSA-N,3,1,0.368,23,225,424.76,5.39,4,0.326,0.74,1.0,0.6126550613391817,0.8212768144746762,0.9985607566307998,0.9997087245562333,0.8580503392502227
EOS-3-49855,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)c1,SDPPWBIFJMPSBB-UHFFFAOYSA-N,3,1,0.573,59,607,452.371,4.384,5,0.291,0.61,1.0,0.9507230484545267,0.9471163731067096,0.9786854910561305,0.9763552875059969,0.963220050030841
EOS-3-49856,CCc1nn(C2CC2)cc1-c1cncc2nnc(-c3cnc(-c4cccnc4)nc3)n12,CEXQQCDRVVPVEK-UHFFFAOYSA-N,3,1,0.296,82,489,409.457,3.404,6,0.438,0.71,1.0,0.02220546912480296,0.02917037900075389,0.014846480707285312,0.03916798026180522,0.026347577273661847
EOS-3-49857,c1ccc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cs2)cc1,VZDGVMVIEXXJNK-UHFFFAOYSA-N,3,1,0.573,12,427,462.538,5.556,6,0.323,0.82,1.0,0.43701596874785825,0.5052001233637173,0.5135271742855184,0.5081043108765677,0.49096189431841547
EOS-3-49858,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5cc(F)c(F)cc5F)n34)c2)nc1,VYAAXZLLSFXLMA-UHFFFAOYSA-N,3,1,0.46,57,236,437.356,5.202,5,0.286,0.75,1.0,0.8906175039407854,0.9082311013638544,0.9812470015763142,0.9812812692755808,0.9403442190391336
EOS-3-49859,Cc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)n1C,XDCHLEVEEHULNP-UHFFFAOYSA-N,3,1,0.35,30,93,461.504,5.368,6,0.353,0.68,1.0,0.15442738674525391,0.31025974916044136,0.537266122952505,0.6078918511411144,0.4024612774998287
EOS-3-49860,Fc1cc(-c2ccnc(Cl)c2)cc(-c2nnc3cncc(-c4ccc(C(F)F)nc4)n23)c1,ZYTBVIZVDFOOCF-UHFFFAOYSA-N,3,1,0.347,96,46,452.827,5.645,5,0.33,0.73,1.0,0.31969193338359264,0.6035912548831471,0.9809728599821808,0.9821208279076142,0.7215942190391337
EOS-3-49861,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)ccc2F)cn1,ZWJUDFGSJASTHG-UHFFFAOYSA-N,3,1,0.645,59,623,469.307,5.217,5,0.353,0.66,1.0,0.8467719827290796,0.9335206634226578,0.9584846823384278,0.9628195462956617,0.9253992186964567
EOS-3-49862,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)c(Cl)c2)n1,IVGJZGXUNQRLLU-UHFFFAOYSA-N,3,1,0.325,67,745,487.89,3.237,6,0.372,0.67,1.0,0.19887259269412652,0.38732780481118495,0.33653450757316156,0.43312658488109107,0.338965372489891
EOS-3-49863,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3nccc(F)c3Cl)n12,RKEJLNJNVNQDJQ-UHFFFAOYSA-N,3,1,0.449,26,456,480.891,3.404,5,0.349,0.56,0.934,0.6126636282639983,0.5414981838119388,0.3589198821191145,0.3278390788842437,0.46023019326982384
EOS-3-49864,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5COC5)cc4)n23)sn1,QXNGOTDFRKZKKF-UHFFFAOYSA-N,3,1,0.474,89,398,488.533,2.356,6,0.371,0.73,0.997,0.40732300733328763,0.1341837434034679,0.07585155232677677,0.04809471592077308,0.16636325474607633
EOS-3-49866,Fc1ccc(N2CCC(Oc3cncc4nnc(-c5ccnc(-c6ncccc6F)c5)n34)CC2)nc1,HPVSUNKYZNOUCR-UHFFFAOYSA-N,3,1,0.408,75,583,486.486,3.969,6,0.368,0.7,1.0,0.3532314440408471,0.21307655404016174,0.112440888218765,0.29071859365362207,0.24236686998834897
EOS-3-49867,Fc1cc(F)cc(-c2cnc(Oc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c(F)c2)c1,ZJYXSWRCHQMYCR-UHFFFAOYSA-N,3,1,0.376,13,315,470.361,5.396,5,0.32,0.78,1.0,0.7260554451374135,0.8212853813994928,0.9819923240353643,0.9779573024467137,0.8768226132547461
EOS-3-49868,COc1ncc(-c2ncc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cn2)c(OC)n1,OMBMOQVAUMVSSD-UHFFFAOYSA-N,3,1,0.436,7,85,486.452,1.128,5,0.331,0.69,1.0,0.41623260914262217,0.11117298334589816,0.02544376670550339,0.003461037625933795,0.13907759920498938
EOS-3-49869,Fc1cc(-c2cncc3nnc(-c4ccc(C(F)(F)C(F)F)nc4)n23)c(F)cc1-c1cc[nH]n1,YXWMLENQAPXOPY-UHFFFAOYSA-N,3,1,0.369,45,315,475.356,4.879,5,0.367,0.64,0.988,0.38328421629771775,0.5943989445548626,0.9956394352683161,0.992829483928449,0.7415380200123365
EOS-3-49870,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)c(F)c1F,RRGKRLPBIFIPIX-UHFFFAOYSA-N,3,1,0.44,59,153,468.826,4.898,5,0.27,0.78,1.0,0.8252690014392434,0.8495733671441299,0.9686364882461792,0.9690562675621959,0.9031337810979372
EOS-3-49871,N#Cc1ccc(Cc2cncc3nnc(-c4cccc(-c5ccc(F)cc5)c4)n23)cn1,ZZPBLPPSGHTPHU-UHFFFAOYSA-N,3,1,0.419,83,358,406.424,4.455,5,0.44,0.85,1.0,0.40494996915907067,0.5369491467342883,0.9067318895209375,0.9139709409910218,0.6906504866013295
EOS-3-49872,CCc1ccc(F)cc1-c1nnc2cncc(-c3nc(-c4ccc(Cl)c(F)c4)ns3)n12,GBHIIODYGLABKF-UHFFFAOYSA-N,3,1,0.385,45,102,454.893,5.471,5,0.36,0.71,1.0,0.29905421150023986,0.5988623123843465,0.7711945719964362,0.8549276951545474,0.6310096977588925
EOS-3-49873,Fc1cc(Cl)c(Oc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1F,UZKGHEPZKZFZPQ-UHFFFAOYSA-N,3,1,0.506,23,627,411.17,5.308,4,0.429,0.79,1.0,0.9390977314783086,0.9788568295524639,0.9943115619217325,0.9988777328490165,0.9777859639503803
EOS-3-49874,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c(Cl)c2)ns1,LNCLCRNFVJINAI-UHFFFAOYSA-N,3,1,0.529,16,772,470.345,4.899,5,0.338,0.69,1.0,0.572673223219793,0.6904084709752587,0.5406500582550887,0.6200568843807827,0.6059471592077308
EOS-3-49875,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)ccc2F)nn1,UZYLJRAEKXMOSB-UHFFFAOYSA-N,3,1,0.516,37,125,479.878,4.505,5,0.331,0.65,1.0,0.9560259749160441,0.95032896991296,0.7888681378932219,0.8038002878486739,0.8747558426427249
EOS-3-49876,CCc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)nn2C)cn1,VDQXXLLGALSPOY-UHFFFAOYSA-N,3,1,0.404,95,956,466.332,5.248,5,0.352,0.73,1.0,0.26416969364676857,0.3492135563018299,0.6321105475978342,0.6778236584195737,0.48082936399150156
EOS-3-49877,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5nccc(Cl)n5)cnn4)n23)cn1,GFNGRDLQVXEPPW-UHFFFAOYSA-N,3,1,0.433,55,875,452.265,3.319,5,0.292,0.54,1.0,0.522719484613803,0.7637584812555686,0.3702110890274827,0.47382804468507983,0.5326292748954835
EOS-3-49878,CCn1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)ccc2Cl)c1,XTFKEWLINAUINZ-UHFFFAOYSA-N,3,1,0.473,20,279,481.347,4.393,5,0.34,0.67,1.0,0.6181807278459325,0.7053491878555274,0.46133746830237815,0.5215458159139196,0.5766032999794394
EOS-3-49879,Fc1ncncc1COc1cncc2nnc(-c3cc(-c4nccs4)c(Cl)cc3Cl)n12,PZQJIQLRPLBKIX-UHFFFAOYSA-N,3,1,0.44,73,772,474.308,4.73,5,0.34,0.7,1.0,0.8042629017887739,0.8646682886710986,0.7549688163936673,0.8188181070522925,0.8106795284764581
EOS-3-49880,COc1nc(-c2cnc(C)n2C)ccc1-c1nnc2cncc(OCCc3nc(C)ns3)n12,LGKCOLFYRGUMQV-UHFFFAOYSA-N,3,1,0.432,31,456,463.527,2.685,5,0.359,0.48,1.0,0.277157151668837,0.16845144267013912,0.008515523267767802,0.0021160304297169487,0.11406003700911521
EOS-3-49881,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5ccc(C(F)F)cc5)n34)c2)s1,OLWJFRKZCMZCML-UHFFFAOYSA-N,3,1,0.615,91,628,464.501,5.177,5,0.33,0.67,1.0,0.8445103145774793,0.8325337536837777,0.7592180111027346,0.6951716811733261,0.7828584401343294
EOS-3-49882,C#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nccn5C)cn4)n23)cn1,JOVVRSNXSMSZLA-UHFFFAOYSA-N,3,1,0.494,7,168,408.425,2.542,5,0.412,0.7,1.0,0.484785141525598,0.2488862997738332,0.34004694674799535,0.2432663970940991,0.32924619628538143
EOS-3-49883,Cc1nc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cc(F)ccc5F)n34)cc2)cn1C,ZYUHNFWGWQMMEV-UHFFFAOYSA-N,3,1,0.306,64,27,480.482,4.902,6,0.357,0.69,1.0,0.25096806250428344,0.32508052909327667,0.6530309780001371,0.6718696456719896,0.4752373038174217
EOS-3-49884,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cn2)cc1,GPGLUBLGSXWNPB-UHFFFAOYSA-N,3,1,0.303,10,195,407.397,3.089,6,0.438,0.74,0.92,0.048377424439723114,0.05641319991775752,0.23466520457816462,0.2671938181070523,0.15166241176067438
EOS-3-49885,Cc1nc(-c2ccc(F)c(F)c2Cl)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,BCNKETGBKBEWAD-UHFFFAOYSA-N,3,1,0.417,18,531,480.866,3.9,5,0.337,0.59,1.0,0.7136762387773284,0.7002861352888767,0.5996076348433966,0.6255311493386334,0.6597752895620589
EOS-3-49886,COc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nc(C)n[nH]1,MWNPXKNMBWXUKH-UHFFFAOYSA-N,3,1,0.43,49,578,447.434,2.444,5,0.374,0.48,1.0,0.5431944349256391,0.4557775340963608,0.15370776506065384,0.09654924268384621,0.312307244191625
EOS-3-49887,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncs5)s4)n23)cc1,AUJBYKAONRHZIE-UHFFFAOYSA-N,3,1,0.321,64,449,457.519,5.239,6,0.36,0.62,0.985,0.2482437804125831,0.3443818107052293,0.43259543554245766,0.5382513193064218,0.390868086491673
EOS-3-49888,Clc1cncc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)s5)c4)n23)c1,LHRNWEUJJNWOOO-UHFFFAOYSA-N,3,1,0.489,2,76,469.357,5.238,5,0.339,0.7,1.0,0.7440802549516825,0.7974436296347063,0.7432835309437325,0.8126499211842917,0.7743643341786033
EOS-3-49889,COc1ncccc1-c1ncnc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cn4)n23)n1,BYBKCYZNMOQKJV-UHFFFAOYSA-N,3,1,0.259,39,114,479.439,2.705,6,0.36,0.51,0.584,0.4557689671715441,0.460103831128778,0.07387259269412652,0.0782674251250771,0.2670032040298814
EOS-3-49890,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)s1,KOUGNALVOOSGLX-UHFFFAOYSA-N,3,1,0.28,69,299,453.556,5.409,6,0.355,0.66,1.0,0.0547426495785073,0.12024535672674937,0.21330786101021176,0.28485881707902133,0.16828867109862244
EOS-3-49891,Cc1nc(-c2ccccn2)c(-c2nnc3cncc(-c4cnn(-c5ccccc5C#N)n4)n23)s1,RVNXLBIJPJZBBP-UHFFFAOYSA-N,3,1,0.283,10,935,462.502,3.738,6,0.388,0.46,0.827,0.0075817284627510105,0.011445411555068192,0.09227434720032897,0.14312761291206907,0.06360727503255431
EOS-3-49892,FC(F)c1ccc(-c2nnc3cncc(OCc4csc(-c5ccccn5)c4)n23)cc1,VICPMPKTBWLTLM-UHFFFAOYSA-N,3,1,0.542,1,805,435.459,5.431,5,0.356,0.68,0.999,0.9187512850387225,0.7809094647385375,0.9141851141114385,0.879823178671784,0.8734172606401207
EOS-3-49893,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5sccc5C)c4)n23)nc1,WCAGOYPQLZDAPJ-UHFFFAOYSA-N,3,1,0.396,14,81,431.952,5.776,5,0.362,0.74,1.0,0.2044068261256939,0.27433006647933655,0.717197244876979,0.7360187786991982,0.4829882290453019
EOS-3-49895,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4ccc(C(F)F)nc4)n23)n1,CZSDDGHHMVOGCQ-UHFFFAOYSA-N,3,1,0.266,39,972,483.446,3.438,6,0.362,0.59,0.129,0.12409190596943322,0.13785895414981839,0.2667826057158522,0.2726766499897197,0.20035252895620587
EOS-3-49896,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5cnc(CC(F)F)nc5)cnn4)n23)c1,MWPPXIFPBLKUTH-UHFFFAOYSA-N,3,1,0.402,54,511,482.401,3.703,5,0.324,0.65,1.0,0.6209478445617161,0.6464258789664862,0.8450757316153793,0.8306918648481941,0.735785329997944
EOS-3-49897,Cc1cnc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)c1,JYVWARCDSCWEBY-UHFFFAOYSA-N,3,1,0.343,3,118,484.445,4.827,6,0.356,0.74,0.778,0.06940065793982592,0.32955246384757725,0.7951648276334727,0.842659858817079,0.5091944520594888
EOS-3-49898,COc1ccc(Cc2cncc3nnc(-c4ccc(F)c(-c5c(F)cc(F)cc5F)c4)n23)cc1,AEVOMIBMJWHLHH-UHFFFAOYSA-N,3,1,0.478,57,358,464.422,5.614,5,0.317,0.75,1.0,0.877578644369817,0.8866167500514015,0.9885717222945651,0.9858388732780481,0.9346514974984579
EOS-3-49899,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5F)cc4)n23)cc1,IWFWHBRGUKCRJP-UHFFFAOYSA-N,3,1,0.333,25,228,482.91,5.108,6,0.347,0.77,1.0,0.2641782605715852,0.42474813241038994,0.7929973956548557,0.8601363854430814,0.5855150435199781
EOS-3-49900,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCCCC6)cc5)n34)nc2)s1,NFLXZYRBJBVLAI-UHFFFAOYSA-N,3,1,0.333,52,376,480.597,5.516,6,0.339,0.81,0.997,0.01643136179836886,0.006810705229250908,0.009415050373517923,0.054725515728873964,0.021845658282502914
EOS-3-49902,COc1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cc2F)s1,MLIODQGFSHAXKV-UHFFFAOYSA-N,3,1,0.375,52,295,488.508,3.412,6,0.386,0.71,1.0,0.362466588993215,0.3001165101775067,0.08251661983414434,0.10276026317593037,0.2119649955451991
EOS-3-49903,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncn(-c6ccccc6)n5)n34)ncn2)cn1,FWILSFFMVHAAFV-UHFFFAOYSA-N,3,1,0.354,44,807,466.44,2.942,6,0.341,0.5,0.965,0.21810533890754574,0.21308512096497842,0.24521965595229936,0.26103419916386816,0.2343610787471729
EOS-3-49904,CC=Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ccn2)cn1,FNFGFHFJLPXFDQ-UHFFFAOYSA-N,3,1,0.517,7,99,461.938,4.97,5,0.352,0.61,1.0,0.6181892947707491,0.6754763210198067,0.40738297580700433,0.3438677952162292,0.5112290967034473
EOS-3-49905,Fc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ncon1,HNCGRFSZOOKUMH-UHFFFAOYSA-N,3,1,0.452,18,262,456.8,3.184,5,0.355,0.5,1.0,0.7076965252552944,0.6515146323075869,0.49932321293948323,0.5451134260845727,0.6009119491467343
EOS-3-49906,CCc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnc(OC)cn1,GWNUABPIVGAHSM-UHFFFAOYSA-N,3,1,0.443,18,904,472.484,3.37,5,0.335,0.53,0.981,0.57530326913851,0.5322801727092044,0.252604345144267,0.16900829278322255,0.382299019943801
EOS-3-49907,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cn(-c5ccc(Cl)nc5)nn4)n23)cc1,PPBKBVDSESHIOI-UHFFFAOYSA-N,3,1,0.574,56,415,485.899,2.795,6,0.327,0.68,1.0,0.25344390377630044,0.3779641559865671,0.19574566513604277,0.21431875813857856,0.2603681207593722
EOS-3-49908,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)cc4F)n23)n1,YZICAQDRQAMVPK-UHFFFAOYSA-N,3,1,0.484,37,0,479.878,4.505,5,0.354,0.64,1.0,0.8626636282639983,0.9082396682886711,0.602666027002947,0.6718782125968062,0.7613618840381057
EOS-3-49909,Fc1cc(Cl)cnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nc1,DAWNMABTTHHDPM-UHFFFAOYSA-N,3,1,0.306,32,977,481.882,4.56,6,0.36,0.63,0.999,0.3603334247138647,0.4689106298403125,0.5741724350627099,0.6343807826742512,0.5094493180727846
EOS-3-49910,Fc1ccc(Cl)cc1-c1cncc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)c1,UFQUSLZBRFGYBP-UHFFFAOYSA-N,3,1,0.462,84,884,482.306,4.711,5,0.346,0.71,1.0,0.7618737577959016,0.8461979987663628,0.8056421766842574,0.882684531560551,0.8240996162017682
EOS-3-49911,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1nccc(C)n1,IBXUPDCVVKQZKB-UHFFFAOYSA-N,3,1,0.402,31,690,463.954,4.808,5,0.357,0.59,0.999,0.4823264341032143,0.5648516208621753,0.182484065519841,0.19105955726132548,0.355180419436639
EOS-3-49913,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5cnccc5Oc5ccccc5)n34)nc2)n1C,SVUJEMPJCFTHFO-UHFFFAOYSA-N,3,1,0.413,41,318,476.5,4.875,6,0.335,0.72,1.0,0.36034199163868136,0.12025392365156604,0.43627921321362484,0.3278476458090604,0.31118069357823314
EOS-3-49914,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cc(F)ccn4)n23)cc1,WSILINLTSKSVBG-UHFFFAOYSA-N,3,1,0.42,63,334,402.433,3.003,5,0.536,0.84,1.0,0.3555702145157974,0.21810533890754574,0.1792886025632239,0.269858131725036,0.2557055719279007
EOS-3-49915,Cc1ccc(-c2nnc3cncc(OCCc4c(F)ccnc4F)n23)c(-c2ccccc2F)n1,NJVWETVQDWRLAU-UHFFFAOYSA-N,3,1,0.533,88,732,462.435,4.596,5,0.344,0.56,1.0,0.9132855870056884,0.9218011102734562,0.8077753409636077,0.8079209786854911,0.8626957542320608
EOS-3-49916,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)cnc5Cl)n34)c2)nc1,HXDRLSCXHQZQRZ-UHFFFAOYSA-N,3,1,0.5,2,491,483.294,4.106,5,0.333,0.67,1.0,0.862672195188815,0.867469673086149,0.6236806935782332,0.7033359605236105,0.764289630594202
EOS-3-49917,Fc1c(F)c(Cl)c(COc2cncc3nnc(-c4ccccc4)n23)c(F)c1Cl,WQSFUNKARADRJH-UHFFFAOYSA-N,3,1,0.623,23,627,425.197,5.094,4,0.338,0.66,1.0,0.9824463710506477,0.9744705640463299,0.9905421150023987,0.9946199712151326,0.9855197553286272
EOS-3-49918,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ncn2)cn1,DGIBDYSSKNIDPC-UHFFFAOYSA-N,3,1,0.429,18,194,453.89,4.119,5,0.357,0.51,0.997,0.7106521143170448,0.7002947022136934,0.5741810019875265,0.6200654513055993,0.651298317455966
EOS-3-49919,Cn1cccc1C#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,UKLYDTTYJAMTIN-UHFFFAOYSA-N,3,1,0.495,59,10,476.874,4.435,5,0.359,0.62,1.0,0.9054725515728874,0.9218096771982729,0.9567969981495442,0.9419676512918923,0.9315117195531493
EOS-3-49920,CCc1nc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1nc(C)c(C)nc1C,PMOYVVXZZINTNH-UHFFFAOYSA-N,3,1,0.478,31,690,457.563,4.771,5,0.363,0.56,0.911,0.332319580563361,0.27949592214378727,0.04653553560413954,0.027791104105270373,0.17153553560413956
EOS-3-49921,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(-c5cccc(Cl)c5)ccc4F)n23)cc1,SDDKZYFLWGZWFQ-UHFFFAOYSA-N,3,1,0.375,25,228,482.91,5.108,6,0.347,0.79,1.0,0.2882341854567884,0.4865413611130149,0.7641011582482352,0.8584058666301144,0.5993206428620382
EOS-3-49922,Fc1cnc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)ccc5F)n34)cc2Cl)nc1,XUXLATUACGVWPB-UHFFFAOYSA-N,3,1,0.512,13,236,471.254,5.626,5,0.338,0.73,1.0,0.9417449112466589,0.9545695976972106,0.9486412857240765,0.9685079843739292,0.9533659447604689
EOS-3-49923,Fc1ncccc1-c1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cnc1Cl,JSGJUDVAPJZQIO-UHFFFAOYSA-N,3,1,0.427,13,284,453.264,5.487,5,0.335,0.71,1.0,0.7530583921595504,0.8920910150092523,0.9263929819751902,0.9496350490028099,0.8802943595367007
EOS-3-49924,CCCOc1cnnc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,PTVDDJVOWASDGQ-UHFFFAOYSA-N,3,1,0.545,63,536,406.406,1.443,4,0.459,0.71,1.0,0.4673428825988623,0.10800322116373107,0.02869063121102049,0.008935302583784525,0.15324300938934957
EOS-3-49925,Fc1cc(-c2ccccc2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1F,UMVPWIABMMEECM-UHFFFAOYSA-N,3,1,0.602,57,732,463.875,5.406,5,0.315,0.73,1.0,0.9456599958878761,0.9618000822424783,0.9451716811733261,0.954766636967994,0.9518495990679187
EOS-3-49926,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(C)nc5Cl)n34)ncn2)nc1,UKVIOCLIHJDZOY-UHFFFAOYSA-N,3,1,0.4,31,481,476.903,4.069,5,0.338,0.57,0.927,0.6682030018504558,0.5897042697553286,0.44364676855595914,0.4299225549996573,0.5328691487903502
EOS-3-49927,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nncn6C)cc5)n34)c(F)c2)ccn1,HPJCRMCDIKALCW-UHFFFAOYSA-N,3,1,0.494,67,722,478.491,4.889,6,0.348,0.7,1.0,0.5022531012267837,0.6133318483996985,0.6806079089849908,0.6283325337536838,0.6061313480912891
EOS-3-49928,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(-c3cnn(-c4cccc(Cl)n4)c3)n12,SQOFFIYDDNBIED-UHFFFAOYSA-N,3,1,0.337,3,664,474.912,4.955,6,0.336,0.67,1.0,0.048385991364539783,0.26920704543896923,0.6858508669727914,0.7565879651840175,0.44000796724007946
EOS-3-49929,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cn(C)nc5C)n34)ncn2)cn1,QAFWEGHLMVRNBF-UHFFFAOYSA-N,3,1,0.391,31,296,414.433,1.968,5,0.425,0.53,0.932,0.16544445205948874,0.0417551915564389,0.05176992666712357,0.023987389486669865,0.07073923994243027
EOS-3-49930,CCCc1ncnc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccc4F)n23)c1OC,AHJPUDYQBMXYIY-UHFFFAOYSA-N,3,1,0.457,1,347,470.508,4.928,5,0.318,0.73,0.712,0.7136848057021452,0.6413285587005688,0.3515094921526969,0.35036152422726335,0.5142210951956686
EOS-3-49931,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(Cl)nn5)cc4)n23)s1,DJXDTIUTGFZQHX-UHFFFAOYSA-N,3,1,0.321,52,916,487.976,4.446,6,0.38,0.76,0.033,0.1680316633541224,0.10127818518264683,0.15072647522445343,0.27588067987115344,0.17397925090809402
EOS-3-49932,Clc1ccc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cn1,VBSJOGBREJYKGM-UHFFFAOYSA-N,3,1,0.408,40,763,481.907,4.266,6,0.35,0.62,1.0,0.5983397299705298,0.6708159139195394,0.5639006922075251,0.5709341374820095,0.600997618394901
EOS-3-49933,Fc1cc(-c2nnc3cncc(OCCc4cncc(Br)c4)n23)ccc1-c1nc[nH]n1,NYWNIEYRCLZXLM-UHFFFAOYSA-N,3,1,0.545,47,164,481.289,3.495,5,0.396,0.53,1.0,0.8736035912548832,0.797452196559523,0.547529298882873,0.548120416695223,0.6916763758481256
EOS-3-49934,CC(C)(C)NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ncccc5Cl)c4)n23)cc1F,GYQOQQDXMMAFIO-UHFFFAOYSA-N,3,1,0.33,74,246,490.93,4.36,5,0.401,0.85,1.0,0.06535706942635872,0.1897488177643753,0.5406586251799054,0.4204732369268727,0.304059437324378
EOS-3-49935,Cn1cnnc1-c1cnc(Oc2cncc3nnc(-c4ccc(-c5nccn5C)nc4)n23)c(Cl)c1,SXOCYWIWRRDRDB-UHFFFAOYSA-N,3,1,0.354,99,502,485.899,3.223,6,0.361,0.67,1.0,0.42802069769035705,0.48194092248646425,0.1386813789322185,0.14082311013638543,0.2973665273113563
EOS-3-49936,Fc1cc(-c2ccccc2Cl)ccc1-c1nnc2cncc(-c3ncn(-c4ccccc4)n3)n12,QAMPUQLPJOFYGA-UHFFFAOYSA-N,3,1,0.39,30,298,467.895,5.499,6,0.342,0.71,1.0,0.056644506887807554,0.3250890960180933,0.8018470289904736,0.8856144198478514,0.5172987629360565
EOS-3-49937,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)ccc2F)ccn1,UPLQAQWWAWFCOW-UHFFFAOYSA-N,3,1,0.511,88,141,466.398,4.426,5,0.272,0.68,1.0,0.9499091905969433,0.9573024467137277,0.9492581043108765,0.9467993968884929,0.9508172846275103
EOS-3-49938,Fc1ccc(F)c(-c2cccc(-c3nnc4cncc(-c5ncc(-c6c[nH]nn6)[nH]5)n34)n2)c1F,UGHJUHBYOXKCNE-UHFFFAOYSA-N,3,1,0.242,45,140,460.383,3.446,6,0.386,0.46,0.339,0.2044153930505106,0.3393016242889452,0.6885408813652252,0.7411503666643822,0.4933520663422658
EOS-3-49939,COc1cc(-c2nnc3cncc(OCc4cc(Cl)cs4)n23)ccc1-c1cnc(C)o1,QEDXSZZKFXOGAY-UHFFFAOYSA-N,3,1,0.512,4,83,453.911,5.057,5,0.355,0.61,1.0,0.7260640120622301,0.7236738400383799,0.6383387019395518,0.5183760537317524,0.6516131519429785
EOS-3-49940,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c(F)c2)s1,JHGZERRFOYTGPM-UHFFFAOYSA-N,3,1,0.57,11,626,464.501,4.826,5,0.335,0.62,1.0,0.8095315605510246,0.8462065656911795,0.6086543074497979,0.5514272496744569,0.7039549208416148
EOS-3-49941,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccn2)ccc1Cl,IBJFFRZKHJNXQT-UHFFFAOYSA-N,3,1,0.539,35,429,477.355,5.485,5,0.322,0.82,1.0,0.8831814131999177,0.8646768555959153,0.8577804811184977,0.8812709889658008,0.8717274347200328
EOS-3-49942,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccccc5-c5ccn(C)n5)n34)ccc2F)n[nH]1,QIBYBYVKEYTJKH-UHFFFAOYSA-N,3,1,0.469,43,521,481.495,4.003,6,0.383,0.63,1.0,0.6380731272702351,0.6367452539236516,0.46849941744911244,0.4140651771640052,0.539345743951751
EOS-3-49943,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3ccccc3Cl)n12,AZYZGNHPLVFOMA-UHFFFAOYSA-N,3,1,0.726,79,650,444.897,5.872,5,0.328,0.8,1.0,0.9521280241244603,0.9858731409773148,0.9412480296072921,0.9604036734973613,0.9599132170516071
EOS-3-49944,O=C(NCCOc1ncccn1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nn4)n23)cc1,PQOLNBKHUXMHRW-UHFFFAOYSA-N,3,1,0.369,14,357,487.911,2.424,5,0.327,0.69,1.0,0.33469261873757794,0.20341306284696045,0.11840346789116579,0.085103831128778,0.18540324515112055
EOS-3-49945,Fc1cccc(F)c1-c1cncc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,IEXGHWCAEAUSCM-UHFFFAOYSA-N,3,1,0.697,88,222,463.875,5.406,5,0.337,0.7,1.0,0.9023456240148037,0.9303509012404907,0.9517510794325269,0.9654838599136454,0.9374828661503667
EOS-3-49946,Fc1ccc(-c2nnc3cncc(OCCc4nc(Cl)cnc4Cl)n23)cc1-c1cncnc1,DAOCDEHLVBEKHD-UHFFFAOYSA-N,3,1,0.489,20,494,483.294,4.106,5,0.356,0.65,0.996,0.9240884791995065,0.9471249400315263,0.6206565691179494,0.7304931121924474,0.8055907751353574
EOS-3-49947,O=C(NCc1cccnc1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)n4)n23)cc1,NRCYCUDRNZFGAZ-UHFFFAOYSA-N,3,1,0.366,62,331,491.49,3.503,6,0.379,0.78,1.0,0.07717085874854362,0.13064560345418408,0.44365533548077585,0.3982249331779864,0.2624241827153725
EOS-3-49948,CCn1nc(C)cc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)c(F)n1,MMDZKJYBLKGFJH-UHFFFAOYSA-N,3,1,0.418,31,606,462.464,3.939,5,0.353,0.54,1.0,0.39659721746281956,0.3919796449866356,0.35535604139538074,0.284867384003838,0.35720007196216846
EOS-3-49949,CCn1c(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc(C)n2)cnc1C,VDAOZBFYEFIKCE-UHFFFAOYSA-N,3,1,0.434,7,185,477.479,3.993,5,0.346,0.59,0.961,0.47757179082996365,0.41575286135288875,0.2926118840381057,0.18284387636214106,0.34219510314577484
EOS-3-49950,CCOc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cnn2)n1,JQTWIQCKVOKUCR-UHFFFAOYSA-N,3,1,0.455,58,778,474.912,3.712,5,0.332,0.54,0.992,0.6069666232609142,0.579483928449044,0.28191179494208757,0.25795010622986775,0.43157811322047834
EOS-3-49951,N#Cc1ncc(COc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)cn1,FIHDTOMNEDBHMA-UHFFFAOYSA-N,3,1,0.46,16,202,407.397,2.489,5,0.431,0.69,1.0,0.6209564114865328,0.5278168048797204,0.4507915838530601,0.39216811733260226,0.4979332293879789
EOS-3-49952,N#Cc1cccc(OCc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)c1,BODFAQWSPOKWQK-UHFFFAOYSA-N,3,1,0.409,14,18,405.421,3.699,5,0.439,0.83,1.0,0.46017236652731136,0.43386334041532454,0.7405935165512988,0.7061030772393941,0.5851830751833322
EOS-3-49953,Cn1nnc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)n1,PBHAFCVOBODESC-UHFFFAOYSA-N,3,1,0.366,50,542,407.348,1.771,5,0.438,0.68,0.161,0.12410047289424989,0.19426358714275924,0.21331642793502845,0.21696593790692892,0.18716160646974161
EOS-3-49954,Cc1nc(-c2ccnc(F)c2)cc(-c2cncc3nnc(-c4ccc(C#N)cc4)n23)n1,IOKAJOMMPKMCTF-UHFFFAOYSA-N,3,1,0.449,74,139,408.4,3.63,5,0.42,0.73,1.0,0.35324001096566376,0.47793160167226373,0.7172058118017957,0.7061116441642108,0.5636222671509835
EOS-3-49955,CCCn1nccc1-c1ccc(F)c(-c2nnc3cncc(-c4cc(-c5cn(C)nn5)cnn4)n23)c1,PWARLGWSTYRBGX-UHFFFAOYSA-N,3,1,0.268,98,63,481.499,3.456,6,0.355,0.64,1.0,0.08843636488246179,0.16448495648002193,0.1694709067233226,0.1937667055033925,0.1540397333972997
EOS-3-49956,N#Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5ccccc5)cc4F)n23)cc1,CQRKNUPTYUXQJN-UHFFFAOYSA-N,3,1,0.5,1,347,408.396,4.656,5,0.43,0.8,1.0,0.9481272702350764,0.9142108148858885,0.8919111095881023,0.885622986772668,0.9099680453704339
EOS-3-49957,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)cc(C)n2)nc1,HNHVJIOQRPGHDK-UHFFFAOYSA-N,3,1,0.494,65,265,476.903,4.069,5,0.361,0.54,1.0,0.8579860873140978,0.7809180316633542,0.46134603522719486,0.4488554588444932,0.637276403262285
EOS-3-49958,Cc1cnc(CCc2cc(CCc3cncc4nnc(-c5ccc(Cl)cn5)n34)on2)s1,BPRYZSITNBPAKJ-UHFFFAOYSA-N,3,1,0.367,85,580,451.943,4.163,5,0.366,0.51,0.999,0.17611884038105682,0.27433863340415326,0.03618669042560482,0.08511239805359468,0.1429391405661024
EOS-3-49959,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nn2)cn1,OMKRIRCIRSZUFO-UHFFFAOYSA-N,3,1,0.388,22,844,406.812,3.441,5,0.456,0.72,1.0,0.21256253855116167,0.41576142827770546,0.6858594338976081,0.7463761908025495,0.5151398978822561
EOS-3-49960,Clc1ccc(-c2noc(-c3cncc4nnc(-c5ccc(-c6ncco6)nc5)n34)n2)c(Cl)c1,QGGFLHXPHNCEJT-UHFFFAOYSA-N,3,1,0.338,32,191,477.271,4.865,6,0.35,0.65,0.999,0.317284627510109,0.47330546227126313,0.4436639024055925,0.5928054965389624,0.45676487218148176
EOS-3-49961,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)nc2F)cs1,YGKNSIYFJWXGIH-UHFFFAOYSA-N,3,1,0.438,49,773,465.489,4.221,5,0.347,0.56,1.0,0.6096395038037146,0.5944075114796793,0.4400486601329587,0.37315811116441644,0.5043134466451922
EOS-3-49962,COCC(F)(F)c1cnc(-c2nnc3cncc(OCc4cncc(-c5ncnn5C)c4)n23)cn1,UTPZIUGZOMNCBO-UHFFFAOYSA-N,3,1,0.39,7,828,480.439,2.089,5,0.325,0.61,1.0,0.36247515591803164,0.2285484202590638,0.46485847440202865,0.28487595092865464,0.33518950037694467
EOS-3-49963,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccccc5Cl)c4)n23)cc1,FUINEBAZJPBDHL-UHFFFAOYSA-N,3,1,0.659,1,640,480.862,5.082,5,0.321,0.77,1.0,0.9622198615584949,0.9716520457816462,0.9433212254129257,0.9404084709752587,0.9544004009320814
EOS-3-49964,CN(Cc1cc(F)ccn1)C(=O)c1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,WTFXAGSHEJNDII-UHFFFAOYSA-N,3,1,0.422,14,358,487.926,4.237,5,0.356,0.71,1.0,0.4162411760674388,0.5094064834487012,0.4545695976972106,0.4980553080666164,0.46956814131999175
EOS-3-49965,COc1c(Cl)cc(Cl)c(Cl)c1COc1cncc2nnc(-c3ccc(F)c(F)c3)n12,MIYINUYDAFXDAG-UHFFFAOYSA-N,3,1,0.605,23,627,471.678,5.617,4,0.354,0.75,1.0,0.9756870673702968,0.9788653964772805,0.9891028716331985,0.9931550270714824,0.9842025906380645
EOS-3-49966,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nc(C)nn1CC,LSRWMQHPGHZFMY-UHFFFAOYSA-N,3,1,0.347,31,924,476.932,3.358,5,0.348,0.58,0.763,0.2641868274964019,0.2847303132067713,0.009783428140634638,0.009569255020217942,0.14206745596600645
EOS-3-49967,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5ccc(C(F)F)nn5)c4)n23)cc1,JMBXIHZXWAYVLI-UHFFFAOYSA-N,3,1,0.42,62,319,489.461,4.275,5,0.383,0.74,0.999,0.3440819683366459,0.4338719073401412,0.8483568638201631,0.7514306764443835,0.5944353539853334
EOS-3-49968,Cc1cc(-c2nnc3cncc(Oc4ncc(Cl)cc4F)n23)cc(-c2ccc(F)cc2F)n1,BJYIYZVVLRBGDJ-UHFFFAOYSA-N,3,1,0.417,13,145,468.826,5.42,5,0.35,0.68,1.0,0.842197244876979,0.8990559248852033,0.9362706462888082,0.9394832430950586,0.9042517647865123
EOS-3-49969,Fc1ccc(-n2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)cc5Cl)n34)n2)cc1,VGYPWZMRGFXMFM-UHFFFAOYSA-N,3,1,0.452,34,417,456.815,5.499,5,0.349,0.77,0.999,0.43444589130285793,0.6464344458913028,0.9730570214515798,0.9733825645946131,0.7568299808100885
EOS-3-49970,Clc1cnc(COc2cnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)nc1,MIQBEDTVTLXHLT-UHFFFAOYSA-N,3,1,0.447,51,196,482.291,3.231,5,0.319,0.62,1.0,0.7409704612432322,0.852691727777397,0.29262045096292233,0.33116304571311084,0.5543614214241656
EOS-3-49971,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncon5)ncc4Cl)n23)cn1,DPKWWZWCJYRUGW-UHFFFAOYSA-N,3,1,0.414,7,85,489.883,2.756,6,0.362,0.77,1.0,0.5280909464738538,0.43388047426495785,0.06732746213419231,0.1140086354602152,0.2858268795833048
EOS-3-49972,Cn1ccnc1-c1nnc2cncc(OCc3nnc(-c4ccc(Cl)nc4)o3)n12,QJTKSJQCAUZTFR-UHFFFAOYSA-N,3,1,0.383,92,185,409.797,2.202,5,0.402,0.64,1.0,0.34182030018504556,0.36348605304639847,0.04654410252895621,0.06882667397710918,0.20516928243437738
EOS-3-49973,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NCCO)cc5)n34)ncn2)nn1,KSPYPLSZNLYAIZ-UHFFFAOYSA-N,3,1,0.413,89,463,484.48,1.043,5,0.323,0.68,1.0,0.34409053526146255,0.08226817901446097,0.04814611746967309,0.01868446302515249,0.12329732369268727
EOS-3-49974,Fc1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)c(F)cc1Cl,DYQSCEHXGYDCMA-UHFFFAOYSA-N,3,1,0.365,22,243,472.793,4.575,5,0.279,0.67,0.35,0.4557775340963608,0.6904170379000754,0.9229490781988897,0.9299139880748406,0.7497644095675416
EOS-3-49975,C(#Cc1cncc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)n1)c1ccccn1,WHHGJYACYMQNQK-UHFFFAOYSA-N,3,1,0.505,40,117,483.495,3.412,6,0.34,0.62,1.0,0.460180933452128,0.45578610102117745,0.48224076485504763,0.4013261599616202,0.4498834898224933
EOS-3-49976,Cc1cc(-c2nnc3cncc(OCc4snnc4-c4ncc(F)s4)n23)ccc1Cl,BQXRPMCGQFCKGZ-UHFFFAOYSA-N,3,1,0.53,16,772,459.919,4.446,5,0.383,0.57,0.998,0.5253152628332534,0.6708244808443561,0.20985539030909464,0.3567267493660476,0.4406804708381879
EOS-3-49977,Cc1ccc(-c2nnc3cncc(OCc4ncc(C)cc4-c4ccccn4)n23)cc1,HOTIMTYGZRNMBS-UHFFFAOYSA-N,3,1,0.512,89,230,408.465,4.444,5,0.428,0.77,1.0,0.5097148927421012,0.41116098965115483,0.5065279967103009,0.4331351518059077,0.4651347577273662
EOS-3-49978,Fc1cc(-c2cnc(F)nc2)cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)n1,KPDAUXCGGCWDMW-UHFFFAOYSA-N,3,1,0.449,2,434,452.812,3.549,5,0.294,0.56,1.0,0.6682115687752724,0.8945582893564527,0.7688129668974025,0.7565965321088343,0.7720448392844905
EOS-3-49979,Clc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)n1,AUYNLDAXPRHVNU-UHFFFAOYSA-N,3,1,0.517,35,922,470.345,4.633,5,0.357,0.59,1.0,0.8491964224521965,0.8813138235898842,0.407391542731821,0.5382598862312384,0.6690404187512851
EOS-3-49980,Cc1ccc(-c2nnc3cncc(OCc4cc(C#N)cc(-n5nccn5)c4)n23)cc1,AHYWTVPVBNFPRW-UHFFFAOYSA-N,3,1,0.524,89,250,408.425,3.131,5,0.44,0.7,1.0,0.6743883215680899,0.5415067507367556,0.6236892605030498,0.5451219930093893,0.5961765814543212
EOS-3-49981,CC(F)(F)c1cncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)n1,KYJOLKWYWSHHQJ-UHFFFAOYSA-N,3,1,0.5,27,354,480.866,4.382,5,0.352,0.61,1.0,0.7678106366938524,0.9218182441230895,0.8420002056061956,0.7591066410801178,0.8226839318758139
EOS-3-49982,Cn1nccc1-c1ccccc1COc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,AOGJYRPURVLQGP-UHFFFAOYSA-N,3,1,0.5,77,427,465.542,4.894,6,0.348,0.64,1.0,0.5047546432732506,0.30012507710232333,0.5835189500376945,0.5151463230758687,0.4758862483722843
EOS-3-49984,CC(=O)Oc1ccc(F)cc1-c1cncc2nnc(-c3cnc(C(C)(C)O)cn3)n12,GRDOOAXBBZEQOZ-UHFFFAOYSA-N,3,1,0.316,63,974,408.393,2.54,4,0.405,0.81,0.112,0.38329278322253446,0.32509766294291004,0.5172366527311356,0.2610427660886848,0.3716674662463162
EOS-3-49985,Fc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)cn2)nc1,ULUKTYQDKOLPKV-UHFFFAOYSA-N,3,1,0.575,73,665,483.385,4.102,5,0.319,0.69,1.0,0.957602289082311,0.9674199849222124,0.9076656843259544,0.8730210403673497,0.9264272496744568
EOS-3-49986,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5nncs5)s4)n23)cn1,SRHQARHGDOXLIY-UHFFFAOYSA-N,3,1,0.436,6,843,474.535,3.141,6,0.358,0.56,1.0,0.31729319443492565,0.32060002741415944,0.038919539442121856,0.03365944760468782,0.17761805222397373
EOS-3-49987,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)cc1Cl,AFJYCTYSAKZNIR-UHFFFAOYSA-N,3,1,0.484,84,207,482.306,4.711,5,0.346,0.69,1.0,0.8325851552326777,0.8096343636488246,0.8502073195805634,0.9039133712562538,0.8490850524295799
EOS-3-49988,Cc1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1-c1cnc(F)cn1,PAHMCDRRNVBRGO-UHFFFAOYSA-N,3,1,0.527,35,919,479.878,4.505,5,0.331,0.64,1.0,0.9507316153793435,0.9471335069563429,0.8247721197998766,0.8038088547734905,0.8816115242272633
EOS-3-49989,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)cc2F)n1C,MJDLUFBQYGOGFX-UHFFFAOYSA-N,3,1,0.552,37,265,482.882,3.843,5,0.363,0.61,1.0,0.7586782948392845,0.8059505859776575,0.5406671921047221,0.5928140634637791,0.6745275340963608
EOS-3-49990,Cc1nn(C)cc1-c1ccc(F)c(CCCc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,WGNPNPZZVYFCNS-UHFFFAOYSA-N,3,1,0.505,14,358,460.944,5.468,5,0.337,0.74,1.0,0.3764906449181002,0.6224299225549996,0.7330032211637311,0.7812778425056541,0.6283004077856214
EOS-3-49991,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)cn2)nc1Cl,CDCPXGRWMJCQLT-UHFFFAOYSA-N,3,1,0.505,58,579,483.294,4.106,5,0.333,0.69,0.91,0.864788225618532,0.9181087656774725,0.5835275169625112,0.6572202042354877,0.7559111781235008
EOS-3-49992,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)nc2)c1F,HLHYQWKKCMINFA-UHFFFAOYSA-N,3,1,0.312,30,737,462.463,5.861,6,0.328,0.81,1.0,0.28015557535467067,0.4157699952025221,0.9229576451237064,0.9360907408676582,0.6387434891371393
EOS-3-49993,Fc1cnc(F)c(CCOc2cncc3nnc(-c4cc(-c5ncccc5F)ccc4F)n23)c1,YJEWMIQXRCOFQL-UHFFFAOYSA-N,3,1,0.516,88,70,466.398,4.426,5,0.272,0.68,1.0,0.9360650400932081,0.9289887601946405,0.9189911589335892,0.9226749366047563,0.9266799739565484
EOS-3-49994,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)ccc2F)cc1F,MRSRIFLYKQDWQX-UHFFFAOYSA-N,3,1,0.483,27,343,481.413,4.747,5,0.324,0.75,1.0,0.8017270920430403,0.8730724419162498,0.9313960660681242,0.8869165924199849,0.8732780481118497
EOS-3-49995,Fc1ccc(-c2ncc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cc2Cl)nc1,OQXCLCZQUIBCBD-UHFFFAOYSA-N,3,1,0.57,13,573,471.254,5.626,5,0.338,0.77,1.0,0.8868994585703516,0.8990644918100199,0.9474247824001096,0.9705297786306627,0.925979627852786
EOS-3-49996,Cc1noc(-c2cnc(Oc3cncc4nnc(-c5ccc(F)cc5)n34)c(F)c2)n1,BSTRPIGHOSWLHR-UHFFFAOYSA-N,3,1,0.5,13,412,407.34,3.615,5,0.445,0.76,1.0,0.790204578164622,0.7281286409430471,0.5065365636351176,0.49184428757453225,0.6291785175793297
EOS-3-49997,c1cc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc(-c2cnsc2)c1,DKYUYOCEZRVZGT-UHFFFAOYSA-N,3,1,0.595,41,190,452.499,5.149,6,0.345,0.63,1.0,0.5809317387430608,0.45125419779316017,0.7225430059625797,0.6718867795216229,0.6066539305051059
EOS-3-49998,COc1ncc(-c2nnc3cncc(OCc4ccc(C#CCO)nc4)n23)cc1F,NAXGKLLVLVYAQR-UHFFFAOYSA-N,3,1,0.523,90,555,406.377,1.652,4,0.499,0.71,1.0,0.707705092180111,0.6413371256253855,0.6146682886710986,0.40133472688643684,0.591261308340758
EOS-3-49999,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccc5)n34)cc2)nc1,AXSPUFUBIQEMDQ-UHFFFAOYSA-N,3,1,0.375,69,695,450.502,5.783,6,0.34,0.74,1.0,0.29118977451853884,0.40631211020492086,0.7095041463916113,0.7740987595092865,0.5452761976560894
EOS-3-50000,COc1nc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cc(F)cc(CC#N)c1,WLTKMUSYPJFXGG-UHFFFAOYSA-N,3,1,0.4,49,501,482.479,3.479,5,0.327,0.66,0.992,0.6864762524844082,0.594416078404496,0.5372746898773216,0.4392005345761086,0.5643418888355837
EOS-3-50001,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)c2)ccn1,ZGNMGCFUHINEOQ-UHFFFAOYSA-N,3,1,0.435,2,419,466.839,3.591,5,0.276,0.63,1.0,0.7471729148104996,0.8096429305736413,0.5996162017682133,0.6546415598656706,0.7027684017545062
EOS-3-50002,CCOc1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)ccc1F,OFELMGLNVYHAMT-UHFFFAOYSA-N,3,1,0.441,20,658,458.457,3.198,5,0.346,0.46,1.0,0.6012010828592969,0.5988708793091632,0.4103642656432047,0.33435850866972794,0.48619868412034817
EOS-3-50003,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)ccc2Cl)nc1,SIWMFHYINWSRPV-UHFFFAOYSA-N,3,1,0.598,73,509,482.306,4.711,5,0.324,0.71,1.0,0.9785655541086972,0.9827462134192311,0.7803783153999041,0.8347611541361113,0.8941128092659859
EOS-3-50004,Cc1cc(F)cc(-c2ncccc2-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)c1,DVSJBLKYRSYAMK-UHFFFAOYSA-N,3,1,0.266,30,737,459.488,5.425,6,0.35,0.65,0.84,0.26419539442121853,0.25884963333561783,0.709512713316428,0.7591152080049346,0.49791823726954976
EOS-3-50005,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)sn1,SNGVMCXUNZYELY-UHFFFAOYSA-N,3,1,0.426,36,908,449.887,3.844,5,0.397,0.5,0.953,0.5304811184977041,0.6181721609211157,0.2595435542457679,0.3471403604961963,0.438834298540196
EOS-3-50006,Fc1cc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2F)ccn1,UYXFIZYOWBZZRS-UHFFFAOYSA-N,3,1,0.386,85,81,451.387,4.45,5,0.29,0.61,1.0,0.4393204715235419,0.6367538208484682,0.9419933520663423,0.9257076279898567,0.7359438181070522
EOS-3-50007,Clc1nccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccs5)nc4)n23)nc1,MIJJCPLRLIDFGI-UHFFFAOYSA-N,3,1,0.333,32,191,468.933,5.087,6,0.355,0.62,0.997,0.24269241313138235,0.4111695565759715,0.46850798437392915,0.5418665615790556,0.41605912891508456
EOS-3-50008,FC(F)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)c(Cl)c1,AIHCHKYHBMFBLN-UHFFFAOYSA-N,3,1,0.416,23,225,439.68,6.28,4,0.376,0.82,1.0,0.52532382975807,0.7637670481803852,0.9969673086148996,0.9997172914810499,0.8214438695086012
EOS-3-50009,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)cc1,XVWSMTILJWQOIH-UHFFFAOYSA-N,3,1,0.354,30,39,406.409,3.694,6,0.44,0.79,1.0,0.024390034953053252,0.032091700363237614,0.40740010965663764,0.44569426358714276,0.22739402714001783
EOS-3-50010,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cc2F)n1,WHZAPHYKYQHWMR-UHFFFAOYSA-N,3,1,0.558,37,626,467.917,4.427,5,0.365,0.54,1.0,0.8869080254951682,0.9012319237886368,0.5172452196559523,0.5612792132136248,0.7166660955383456
EOS-3-50011,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)nc(F)c5)ncn4)n23)c(F)c1,RYCKPGUVEYWQKW-UHFFFAOYSA-N,3,1,0.517,34,675,453.359,3.779,5,0.296,0.57,1.0,0.8756168185868001,0.8920995819340689,0.9096189431841546,0.9014974984579536,0.8947082105407443
EOS-3-50012,Fc1cccc(C#CCn2ncc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)n2)c1F,QEUHUAONOHBGRY-UHFFFAOYSA-N,3,1,0.266,22,315,464.386,3.712,5,0.298,0.58,0.083,0.21257110547597835,0.32956103077239396,0.9023713247892536,0.8950466040710027,0.5848875162771572
EOS-3-50013,N=c1nc(-c2ccc(Cl)cc2)cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)[nH]1,SITXOOMSWPTWED-UHFFFAOYSA-N,3,1,0.429,88,490,480.866,3.609,5,0.383,0.65,1.0,0.6589335891988212,0.5415153176615722,0.7355475978342814,0.7667911726406689,0.6756969193338359
EOS-3-50014,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cc(-c4cncc(Cl)n4)ncn3)n12,CMOGUIXEPLMHBV-UHFFFAOYSA-N,3,1,0.365,46,395,470.255,3.458,5,0.356,0.49,0.621,0.7292252073195805,0.6367623877732849,0.5962836680145295,0.6660612706462888,0.657083133438421
EOS-3-50015,Cc1nc(-c2cc(Cl)cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)ncc1F,UYTFCKWNGCHRSE-UHFFFAOYSA-N,3,1,0.494,73,196,483.294,4.372,5,0.363,0.65,1.0,0.7987115345075732,0.7809265985881708,0.5439226235350558,0.6141200054828319,0.6844201905284079
EOS-3-50016,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)cn4)n23)ncn1,UEXRMJCJLYYNQR-UHFFFAOYSA-N,3,1,0.44,44,481,482.401,3.818,5,0.337,0.64,0.931,0.7409790281680488,0.6318621067781509,0.8979422246590364,0.8286358028921939,0.7748547906243575
EOS-3-50017,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5nnc(C)s5)nc4Cl)n23)cn1,GIDKOANDOAUIDP-UHFFFAOYSA-N,3,1,0.506,31,271,465.93,3.387,5,0.348,0.52,0.666,0.5781903228017271,0.690425604824892,0.048154684394489757,0.057681104790624355,0.3436129292029333
EOS-3-50018,OCc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(F)c4)n23)cc1Cl,KIEGQTXCYAQESK-UHFFFAOYSA-N,3,1,0.42,23,646,403.244,4.32,4,0.551,0.87,1.0,0.5809403056678775,0.7554228634089507,0.9807072853128641,0.989942430265232,0.8267532211637311
EOS-3-50019,CCn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc(-c4nn[nH]c4C(F)F)nc3)n12,AQFFNSOZPPERSX-UHFFFAOYSA-N,3,1,0.29,8,754,486.45,3.249,6,0.375,0.63,0.23,0.1326930984853677,0.1568004249194709,0.11841203481598246,0.1636111301487218,0.1428791720923857
EOS-3-50020,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nnnn5-c5cccc(F)c5)n34)ncn2)cc1,HDKJDCTWGBXGTM-UHFFFAOYSA-N,3,1,0.376,44,807,484.43,3.081,6,0.351,0.65,0.999,0.3580460557878144,0.3634946199712151,0.34780858063189635,0.47076965252552944,0.38502972722911377
EOS-3-50021,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)c(Cl)nn4)n23)n(C)n1,YQGAIQNFSMGGPJ-UHFFFAOYSA-N,3,1,0.398,36,391,485.31,4.315,5,0.366,0.72,0.834,0.5047632101980672,0.6318706737029676,0.6177266808306491,0.6893633061476252,0.6109309677198272
EOS-3-50022,N#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cn1,NJJNPHCGQZPCPA-UHFFFAOYSA-N,3,1,0.437,7,119,407.397,2.489,5,0.431,0.7,1.0,0.43025666506750737,0.4470392707833596,0.3780840929340004,0.33758823932561166,0.3982420670276198
EOS-3-50023,Cn1cc(-c2cc(F)nc(-c3cncc4nnc(-c5cc(F)ccc5-c5cccnc5)n34)c2)cn1,GKHHXLSXUQMTHM-UHFFFAOYSA-N,3,1,0.333,42,714,466.455,4.594,6,0.353,0.54,1.0,0.15171167157837023,0.30013364402714005,0.8285244328695771,0.82458364745391,0.5262383489822493
EOS-3-50024,Cc1cnnc(-c2cc(Cl)cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)c2)c1,BBRILGQHRLBDMM-UHFFFAOYSA-N,3,1,0.489,36,662,446.902,3.831,5,0.404,0.47,0.999,0.36035055856349807,0.46011239805359466,0.3702196559522994,0.34387636214104583,0.3836397436776095
EOS-3-50025,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(Cl)c5)n34)cn2)n1C,YKKJCKLYPGCUFP-UHFFFAOYSA-N,3,1,0.31,64,449,479.935,4.673,6,0.362,0.65,1.0,0.2234939346172298,0.21309368788979507,0.34379069289287917,0.41719210472208895,0.29939260503049825
EOS-3-50026,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ccc(-c5cc6nccnc6nn5)cc4)n23)cc1,MTPDVKSYBQHAKD-UHFFFAOYSA-N,3,1,0.259,69,220,480.495,4.316,7,0.363,0.6,0.952,0.08844493180727846,0.07170516071550956,0.3437992598176958,0.4424559660064423,0.23660132958673155
EOS-3-50027,FC(F)c1ccc(-c2nnc3cncc(Cc4ccc(-c5nnc(Cl)s5)s4)n23)cn1,IADAITRJCKZKRP-UHFFFAOYSA-N,3,1,0.4,85,476,461.91,4.948,5,0.368,0.58,0.953,0.21523541909396204,0.4063206771297375,0.4993317798642999,0.5481289836200397,0.41725421492700976
EOS-3-50028,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)cc1F,OEUUYZQZDUINLF-UHFFFAOYSA-N,3,1,0.593,37,559,484.322,4.654,5,0.349,0.7,1.0,0.9146648619011719,0.9123089575765883,0.7849102186279213,0.8286443698170105,0.8601321019806729
EOS-3-50029,Cn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)c(F)c1,IFVUXEDSSCJOOA-UHFFFAOYSA-N,3,1,0.409,67,765,486.446,3.453,6,0.364,0.67,1.0,0.49713864711123296,0.509415050373518,0.4685165512987458,0.41407374408882186,0.4722859982180796
EOS-3-50030,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cn2)cn1,HNVANLUQDOJKNQ-UHFFFAOYSA-N,3,1,0.351,86,261,405.784,2.893,5,0.451,0.74,1.0,0.3173017613597423,0.4779401685970804,0.3255774107326434,0.42993112192447397,0.38768761565348503
EOS-3-50031,CCOC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccnc(F)c5)nc(C)n4C)n23)cc1,ITDWTAZFYVMXFS-UHFFFAOYSA-N,3,1,0.33,74,139,457.469,3.878,5,0.292,0.63,0.993,0.24545096292234939,0.24390891645534918,0.2780652456994037,0.1963196490987595,0.24093619354396545
EOS-3-50032,Fc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)c2)c1,CYVBWOHCEVMEJQ-UHFFFAOYSA-N,3,1,0.459,87,307,466.839,3.591,5,0.374,0.45,1.0,0.7559797135220341,0.7893221849085053,0.7121513261599616,0.7514392433692002,0.7522231169899253
EOS-3-50033,Cc1nonc1-c1cccc(COCc2cncc3nnc(-c4cccc(-c5cnnn5C)c4)n23)n1,BUJGHWZIZDRYTA-UHFFFAOYSA-N,3,1,0.358,14,351,480.492,3.057,6,0.335,0.59,1.0,0.1404033308203687,0.1012867521074635,0.09674628195462956,0.08512096497841135,0.10588933246521828
EOS-3-50034,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)cc(Cl)n2)cc1,KOPGPGFPVCEPQY-UHFFFAOYSA-N,3,1,0.605,11,201,469.357,5.238,5,0.317,0.71,1.0,0.8669727914467823,0.9061836063326708,0.6695051744225893,0.7790590089781372,0.8054301452950449
EOS-3-50035,CCn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnn4)cn3)n12,KZFSZCLZCRYRLF-UHFFFAOYSA-N,3,1,0.27,8,754,481.911,3.637,6,0.339,0.61,0.983,0.11338324994859846,0.1771040367349736,0.08757110547597834,0.17449112466588992,0.13813737920636007
EOS-3-50036,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)cn4)n23)c(F)c1,AAQVJAXVYHGLJA-UHFFFAOYSA-N,3,1,0.276,98,219,485.874,3.293,6,0.346,0.64,0.996,0.1626859022685217,0.3295695976972106,0.32918408608046057,0.4172006716469056,0.30966006442327465
EOS-3-50037,Cc1nc(C)n(C)c1-c1nnc2cncc(-c3cccc(-c4cnn(C(F)F)c4)c3)n12,VKYWYFPNSGABAT-UHFFFAOYSA-N,3,1,0.259,50,336,420.427,4.067,5,0.438,0.49,0.999,0.09104927695154548,0.11397436776094853,0.4362877801384415,0.3982335001028031,0.2598862312384347
EOS-3-50038,COc1ncc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cc1-c1ccccc1,WRHIIGCIPCTCQO-UHFFFAOYSA-N,3,1,0.479,11,275,476.899,4.671,5,0.337,0.64,1.0,0.8300750462613941,0.8290727160578438,0.7121598930847783,0.6866732917551915,0.7644952367898019
EOS-3-50039,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)n6)nc5)n34)nc2)cn1,PHNAYPUDWKBPCL-UHFFFAOYSA-N,3,1,0.333,32,191,481.882,4.56,6,0.337,0.67,0.999,0.3043485710369406,0.420284764580906,0.6261993694743335,0.6660698375711055,0.5042256356658215
EOS-3-50040,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5nnc(C(F)F)s5)c4)n23)cc1F,AOLBUAUVJGAQPN-UHFFFAOYSA-N,3,1,0.638,59,294,473.415,4.5,5,0.336,0.67,1.0,0.8515351929271469,0.82522616681516,0.7930059625796724,0.7667997395654855,0.8091417654718662
EOS-3-50041,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ccc(F)s5)nc4)n23)cc1,KVPNENKTIYELNF-UHFFFAOYSA-N,3,1,0.415,14,886,415.497,5.148,5,0.398,0.71,1.0,0.4162497429922555,0.5006339524364334,0.6559351655129875,0.660304297169488,0.5582807895277911
EOS-3-50042,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ncn2)cc1F,WFDJPQAEESGOJV-UHFFFAOYSA-N,3,1,0.36,51,924,479.863,2.951,5,0.344,0.53,0.975,0.5809488725926941,0.527825371804537,0.3145860461928586,0.3124443149886917,0.4339511513946954
EOS-3-50043,CCn1nnnc1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(OC)nc4)n23)[nH]1,LEQKKYWLUXCDLI-UHFFFAOYSA-N,3,1,0.287,50,974,416.405,1.427,5,0.407,0.58,1.0,0.10319717634158043,0.1202624905763827,0.010314577479268042,0.005234391062984031,0.059752158865053806
EOS-3-50044,Fc1cc(-c2nnc3cncc(-c4cccc(-c5ccccn5)n4)n23)ccc1-c1cccs1,XAVSJSKBUMOTSU-UHFFFAOYSA-N,3,1,0.368,32,126,450.502,5.783,6,0.34,0.76,1.0,0.30435713796175723,0.4645757658830786,0.7379634706325817,0.7741073264341032,0.5702509252278802
EOS-3-50045,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(Cl)nn4)n23)nc1,HELONKMEJNDVDN-UHFFFAOYSA-N,3,1,0.268,50,356,406.772,2.288,5,0.444,0.71,0.766,0.2614968131039682,0.35880851209649783,0.15670618874648756,0.32785621273387705,0.27621693167020767
EOS-3-50046,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cc(Cl)ccc5F)c4)n23)cn1,DQRUOHWXRKQKCS-UHFFFAOYSA-N,3,1,0.556,57,671,463.875,5.672,5,0.336,0.78,1.0,0.9327410732643411,0.9491810019875265,0.9694760468782126,0.9680625042834624,0.9548651566033857
EOS-3-50047,FC(F)Oc1cccc(-c2cnc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)c1,MLTHDFKRLYAZCH-UHFFFAOYSA-N,3,1,0.364,30,195,482.454,4.702,6,0.339,0.7,1.0,0.040958467548488794,0.2640069220752519,0.7998852032074566,0.7950962922349394,0.4749867212665342
EOS-3-50048,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1nccs1,QRFCCFKCKREXNP-UHFFFAOYSA-N,3,1,0.566,44,294,466.929,5.244,5,0.34,0.73,0.946,0.6984528133781098,0.7329860873140978,0.5835360838873278,0.6226783633746831,0.6594133369885546
EOS-3-50049,Cc1cnc(-c2nnc3cncc(Cc4cncc(-c5cccc(C#N)c5)c4)n23)cn1,WAKCKORRLOBEKI-UHFFFAOYSA-N,3,1,0.311,85,81,404.437,3.414,5,0.452,0.86,1.0,0.18778699198135837,0.13419231032828455,0.5605167569049414,0.5677044068261257,0.3625501165101775
EOS-3-50050,Cc1csc(COc2cncc3nnc(-c4cccc(-c5csc(C)n5)c4)n23)c1,SFYGYEVOPQOHJB-UHFFFAOYSA-N,3,1,0.518,4,506,419.535,5.172,5,0.393,0.72,1.0,0.3833013501473511,0.40169453772873687,0.4103728325680214,0.3278647796586937,0.3808083750257008
EOS-3-50051,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N(C)C)nc4)n23)cc1,RCIGGDPOXWRSBL-UHFFFAOYSA-N,3,1,0.35,0,688,401.43,1.915,4,0.56,0.87,1.0,0.20726817901446096,0.04543040230278939,0.09228291412514564,0.01869302994996916,0.09091863134809128
EOS-3-50052,COc1ncc(-c2ncc(F)cn2)cc1-c1nnc2cncc(Cn3ncc(-c4ncccn4)n3)n12,GEAPBNRCPZLULV-UHFFFAOYSA-N,3,1,0.321,80,249,482.443,1.888,6,0.343,0.57,1.0,0.28824275238160507,0.2795044890686039,0.027611198684120347,0.023284901651703105,0.1546608354465081
EOS-3-50053,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nnc(C6CC6)s5)nn4)n23)nn1,CYPPBRYPRQNCGJ-UHFFFAOYSA-N,3,1,0.37,53,602,478.929,3.042,6,0.344,0.59,0.565,0.4393290384483586,0.50064251936125,0.0032554314303337674,0.01470084298540196,0.2394819580563361
EOS-3-50054,COC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5cnn(C)c5)nc(C)n4C(C)C)n23)cn1,RDWUATATJCZDPH-UHFFFAOYSA-N,3,1,0.308,92,974,457.498,3.126,5,0.37,0.48,0.795,0.07950106229867726,0.095007196216846,0.05376602014940717,0.01129977383318484,0.05989351312452882
EOS-3-50055,Cc1nc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)nn2)nn1C,TXSIIWLMLTVPMM-UHFFFAOYSA-N,3,1,0.396,99,502,480.496,2.06,6,0.348,0.56,0.96,0.3271537248989103,0.18553389075457474,0.016277157151668838,0.00793297238023439,0.1342244362963471
EOS-3-50056,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1cccc(Cl)n1,SGHPSHYSLQSWFL-UHFFFAOYSA-N,3,1,0.483,58,657,477.887,4.066,5,0.323,0.62,1.0,0.8121273387704749,0.7724796107189363,0.5962922349393461,0.5418751285038722,0.6806935782331573
EOS-3-50057,Cc1nc(-c2nc(C)sc2-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)n(C)n1,DFTLETVEBAGNQJ-UHFFFAOYSA-N,3,1,0.287,98,424,474.485,3.516,6,0.377,0.49,0.669,0.12685045576040024,0.22855698718388048,0.027619765608937016,0.042826057158522376,0.10646331642793504
EOS-3-50058,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cc(Cl)ncn5)c4)n23)cn1,PJQAIXIFMDXRNQ-UHFFFAOYSA-N,3,1,0.424,55,283,452.265,3.319,5,0.292,0.55,0.994,0.6955657597148928,0.7809351655129875,0.492469673086149,0.5677129737509423,0.6341708930162429
EOS-3-50059,Cc1cnc(-c2nnc3cncc(-c4ccc(C(=O)C5CC5c5ncc(F)cn5)n4C)n23)cn1,KTGDNKXOGVDJRV-UHFFFAOYSA-N,3,1,0.269,50,974,455.457,2.811,6,0.372,0.5,0.973,0.10796895346446439,0.17711260365979029,0.1507350421492701,0.1530738126242204,0.1472226029744363
EOS-3-50060,Cc1nc(-c2c[nH]c(-c3nnc4cncc(OCc5cnc(F)cn5)n34)c2)ns1,JQRJBJORQDLAFV-UHFFFAOYSA-N,3,1,0.379,7,535,409.41,2.454,5,0.47,0.65,0.999,0.25097662942910015,0.23856315536974848,0.09944486327187993,0.08874477417586184,0.1694323555616476
EOS-3-50061,Fc1ccc(C(F)(F)F)c(-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)ncn4)n23)c1,DHWAIYXMNRELTB-UHFFFAOYSA-N,3,1,0.303,96,315,455.35,4.607,5,0.292,0.65,1.0,0.3488366116098965,0.5510331711328902,0.990122335686382,0.981898087862381,0.7179725515728874
EOS-3-50062,Cc1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4OCc4ccc(F)c(F)c4)n23)cn1,RAIKBZAFMUJMMO-UHFFFAOYSA-N,3,1,0.448,57,533,463.875,5.672,5,0.336,0.75,1.0,0.6528082379549037,0.8135665821396751,0.970212802412446,0.9670344733054622,0.8509055239531218
EOS-3-50063,Fc1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc(F)c1F,JLIPAWDTZCHARC-UHFFFAOYSA-N,3,1,0.349,96,315,454.362,5.27,5,0.273,0.77,1.0,0.47485607566307997,0.7236824069631965,0.9830203550133644,0.9809814269069974,0.7906350661366595
EOS-3-50064,Cc1ncc(-c2ncc(-c3nncs3)nc2-c2nnc3cncc(Cl)n23)cn1,WIPLOWYTIOGOJU-UHFFFAOYSA-N,3,1,0.392,50,489,408.838,2.519,5,0.443,0.62,1.0,0.14898738948666987,0.24391748338016586,0.022436776094852992,0.04950825851552327,0.116212476869303
EOS-3-50065,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)nc1,FRYBIZFFIDBTQD-UHFFFAOYSA-N,3,1,0.533,51,19,406.793,2.864,5,0.434,0.74,1.0,0.7230827222260298,0.6269275580837502,0.24522822287711604,0.27268521691453634,0.4669809300253581
EOS-3-50066,Clc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc(-c2cnccn2)n1,NBRSTTIGZFCYKU-UHFFFAOYSA-N,3,1,0.506,58,324,470.345,4.633,5,0.334,0.61,0.999,0.7230912891508464,0.8018127612912069,0.4993403467891166,0.5957525186758961,0.6549992289767665
EOS-3-50067,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(C(F)(F)F)n5)n4)n23)cc1,BVNGAAXBRLSTFJ-UHFFFAOYSA-N,3,1,0.33,98,882,489.425,3.248,6,0.37,0.71,1.0,0.06536563635117539,0.1989325611678432,0.5772822287711603,0.4457028305119594,0.3218208142005346
EOS-3-50068,Cn1c(-c2cccc(F)c2F)nnc1-c1cncc2nnc(-c3ccncc3-c3cccc(F)c3)n12,LKRCUJNFKPFHSG-UHFFFAOYSA-N,3,1,0.333,3,192,484.445,4.733,6,0.36,0.73,1.0,0.19604550750462613,0.3966828867109862,0.7379720375573984,0.8366630114454116,0.5418408608046056
EOS-3-50069,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c(Cl)n2)n1,FOGNDKJLHJSDBZ-UHFFFAOYSA-N,3,1,0.434,58,24,480.866,3.9,5,0.337,0.61,1.0,0.8300836131862107,0.8787694469193338,0.4648670413268453,0.5015506133918168,0.6688176787060517
EOS-3-50070,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(C#N)c6)cc5F)n34)n2)cn1,KNAMDVIVITZDFA-UHFFFAOYSA-N,3,1,0.33,30,74,472.487,4.932,6,0.361,0.61,1.0,0.1654530189843054,0.38275306695908434,0.8607874717291482,0.860144952367898,0.567284627510109
EOS-3-50071,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(C)c4OC)n23)ccc1-c1cnn(C)c1,HFOLWSDZBRUQAX-UHFFFAOYSA-N,3,1,0.394,31,717,473.512,4.184,5,0.35,0.56,0.703,0.41850284421903916,0.3537882941539305,0.48577890480433145,0.29366561579055583,0.38793391474196426
EOS-3-50072,Cn1cncc1-c1nnc2cncc(OCc3nc(-c4nnco4)c(F)cc3F)n12,JZAGFEWGVANCQZ-UHFFFAOYSA-N,3,1,0.387,53,105,411.332,1.827,5,0.426,0.59,0.71,0.3922709204304023,0.2588582002604345,0.16325988623123844,0.1828524432869577,0.24931036255225822
EOS-3-50073,Fc1cc(COc2cncc3nnc(-c4cc(-c5cccc(F)c5F)ccn4)n23)cc(F)n1,AMADYFFWIUPJNB-UHFFFAOYSA-N,3,1,0.455,59,153,452.371,4.384,5,0.291,0.62,1.0,0.8300921801110274,0.7893307518333219,0.9579278322253444,0.9540812829826606,0.8828580117880886
EOS-3-50074,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)c(F)c5)n34)s2)n(C)n1,VXPUYTIRLOEUBH-UHFFFAOYSA-N,3,1,0.321,76,653,468.521,4.825,6,0.369,0.55,1.0,0.14587759577821946,0.26401548900006855,0.4891371393324652,0.4858817079021315,0.3462279830032212
EOS-3-50075,N#Cc1nc(Cc2cncc3nnc(-c4cnc(-c5ncccn5)cn4)n23)ccc1F,YVBVQXWROIHAQK-UHFFFAOYSA-N,3,1,0.337,85,674,410.376,2.035,5,0.436,0.56,1.0,0.3371256253855116,0.3343071071208279,0.1923274621341923,0.22536152422726338,0.27228042971694877
EOS-3-50076,Fc1ccncc1CCOc1cncc2nnc(-c3cnnc(-c4cccc(C(F)F)c4)c3)n12,IKERELFJCIQDTD-UHFFFAOYSA-N,3,1,0.48,35,778,463.423,4.342,5,0.355,0.52,1.0,0.8068415461585909,0.8527002947022136,0.9045815913919539,0.8856315536974847,0.8624387464875608
EOS-3-50077,c1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cscn6)[nH]5)n34)cc2)no1,VNXVIZCMKVRFPR-UHFFFAOYSA-N,3,1,0.329,98,407,414.414,2.75,6,0.461,0.53,0.998,0.16269446919333835,0.1684600095949558,0.08018641628401069,0.10696662326091426,0.12957687958330477
EOS-3-50078,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nn2)n[nH]1,NEOYXHWSGWQGQG-UHFFFAOYSA-N,3,1,0.324,98,154,409.373,2.083,6,0.458,0.58,1.0,0.18482283599479132,0.13786752107463504,0.09011548214652869,0.10483345898156397,0.12940982454937977
EOS-3-50079,CCn1nc(-c2nnc3ccccn23)cc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,LSJFUGIMRXSJLO-UHFFFAOYSA-N,3,1,0.279,30,465,484.527,4.446,7,0.356,0.71,1.0,0.09574395175107943,0.05642176684257419,0.160047289424988,0.24327496401891577,0.13887199300938935
EOS-3-50080,Cc1nc(=O)cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ncn2)[nH]1,WZEPKCMAUJLWOB-UHFFFAOYSA-N,3,1,0.37,31,954,461.873,2.31,5,0.377,0.48,0.206,0.42318038516893974,0.3001422109519567,0.16005585634980468,0.1690168597080392,0.2630988280446851
EOS-3-50081,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccc2F)cn1,GFCCQHXMFPRALO-UHFFFAOYSA-N,3,1,0.534,37,265,481.894,4.623,5,0.337,0.72,1.0,0.7136933726269619,0.70030326913851,0.8247806867246933,0.8226132547460764,0.7653476458090603
EOS-3-50082,COc1ncc(-c2nnc3cncc(OCCc4nn(C)cc4Cl)n23)cc1-c1cncc(F)c1,NKGQKCDJEQOZNG-UHFFFAOYSA-N,3,1,0.434,87,657,480.891,3.404,5,0.349,0.61,1.0,0.4534301966965938,0.48654992803783154,0.3628435336851484,0.35673531629086425,0.41488974367760945
EOS-3-50083,COc1nc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)ccc1-c1ccccn1,OVUMUFUYJPNYSU-UHFFFAOYSA-N,3,1,0.443,49,501,478.875,3.461,5,0.324,0.59,0.926,0.7586868617641012,0.6413456925502021,0.2346737715029813,0.2287368926050305,0.46586080460557877
EOS-3-50084,Clc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)ccn1,IKPNZOHWNZBMGM-UHFFFAOYSA-N,3,1,0.523,75,278,469.357,5.238,5,0.317,0.73,1.0,0.8325937221574944,0.8018213282160236,0.701956685628127,0.7716743197861695,0.7770115139469537
EOS-3-50085,CCOC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ncc(F)c(C)n5)c4)n23)cc1F,ZFFUNKOBWUQYHX-UHFFFAOYSA-N,3,1,0.362,14,319,486.482,4.602,5,0.324,0.82,1.0,0.4697673223219793,0.3492221232266466,0.6026745939277637,0.49806387499143306,0.47993197861695563
EOS-3-50086,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccsc4)n23)cc1Cl,KRCVUMMPXWVIBZ-UHFFFAOYSA-N,3,1,0.303,39,961,408.849,4.769,5,0.43,0.83,1.0,0.2558597765746008,0.34923069015146324,0.7251216503323967,0.8444417791789459,0.5436634740593517
EOS-3-50087,Cc1nc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)nc(Cl)n2)n(C)c1Cl,MHRYRTOIFHFMJE-UHFFFAOYSA-N,3,1,0.296,50,844,472.727,4.312,5,0.361,0.59,0.826,0.12410903981906654,0.2588667671852512,0.24181858680008225,0.442464532931259,0.2668147316839148
EOS-3-50088,N#Cc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccc4F)c(Cl)n3)n12,DIBWVIUYWYQXLE-UHFFFAOYSA-N,3,1,0.444,18,773,472.871,3.929,5,0.341,0.54,0.998,0.8991844287574532,0.8866253169762183,0.6914707696525255,0.7251045164827633,0.8005962579672401
EOS-3-50089,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)nc1F,GTQRDVBHVGHXEM-UHFFFAOYSA-N,3,1,0.411,18,194,463.864,3.156,5,0.276,0.57,0.981,0.787497429922555,0.6269361250085669,0.29262901788773904,0.31245288191350834,0.5048788636830923
EOS-3-50090,Cc1cncc(COc2cncc3nnc(-c4cnnc(-c5cncc(F)c5)c4)n23)n1,ZKEFOQBMJCQEQD-UHFFFAOYSA-N,3,1,0.43,7,875,415.392,2.46,5,0.427,0.47,1.0,0.5172880542800357,0.4733140291960798,0.2890394763895552,0.2758892467959701,0.38888270166541017
EOS-3-50091,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5cc(F)cnc5Cl)n34)cc2F)cs1,FCESOMNCXKJOQT-UHFFFAOYSA-N,3,1,0.444,13,735,456.865,5.342,5,0.339,0.71,1.0,0.8146460146665753,0.8730810088410664,0.8483654307449798,0.8499674456856967,0.8465149749845796
EOS-3-50092,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3cnc(C(F)F)c(Cl)c3)n12,CMFBZRLACNVCPT-UHFFFAOYSA-N,3,1,0.494,23,255,458.202,5.288,4,0.301,0.75,1.0,0.9146734288259887,0.9421903913371257,0.9917586183263656,0.9941316565005826,0.9606885237475157
EOS-3-50093,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)cc(CF)n5)n34)c2)s1,QEEKWXYCKFLBDM-UHFFFAOYSA-N,3,1,0.469,87,307,465.489,4.243,5,0.355,0.54,1.0,0.5642605030498252,0.5094236172983346,0.4215098348296895,0.38262456308683435,0.46945462956617096
EOS-3-50094,Fc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4ccccn4)c3)n12,NSNJVZVSJORQAJ-UHFFFAOYSA-N,3,1,0.511,58,778,414.404,2.799,5,0.418,0.52,1.0,0.7409875950928655,0.6612809265985882,0.4036306627373038,0.40405900897813724,0.5524895483517237
EOS-3-50095,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,XDPOWNSXTWNMQI-UHFFFAOYSA-N,3,1,0.529,35,143,470.892,4.863,5,0.33,0.66,1.0,0.827856212733877,0.8990730587348366,0.7951733945582894,0.8188266739771092,0.835232335001028
EOS-3-50096,CCn1c(-c2cccnc2Cl)nnc1-c1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,KBTVBJRAMAGMTD-UHFFFAOYSA-N,3,1,0.323,8,474,480.923,4.242,6,0.337,0.64,1.0,0.12411760674388321,0.23857172229456514,0.0994534301966966,0.2022051264478103,0.1660869714207388
EOS-3-50097,Cc1nc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)nn1-c1ccccc1Cl,KSMHGJRQYZNHMT-UHFFFAOYSA-N,3,1,0.297,39,144,483.898,4.597,6,0.361,0.68,0.97,0.015617503940785416,0.16056987183880475,0.2819203618669043,0.4796706874100473,0.23444460626413544
EOS-3-50098,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(Cc5cccc(Cl)n5)n4)n23)cc1,NUMSLNFXLAOGFW-UHFFFAOYSA-N,3,1,0.287,10,356,486.862,2.533,6,0.334,0.65,0.334,0.1821328216023576,0.21310225481461176,0.06142485093550819,0.2052635186073607,0.16548086148995955
EOS-3-50099,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)nc2C)cs1,VDGOXSDTIWOAPT-UHFFFAOYSA-N,3,1,0.537,13,573,452.902,5.511,5,0.357,0.71,0.998,0.6984613803029265,0.7145243643341787,0.6695137413474059,0.6778322253443904,0.6900829278322254
EOS-3-50100,CCc1ncc(-c2c(C)nn(C)c2C)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,QTIIXQZGCXJFEA-UHFFFAOYSA-N,3,1,0.571,4,677,473.968,4.998,5,0.345,0.69,1.0,0.5535518470289905,0.6951631142485094,0.34380782674251253,0.3094801590021246,0.4755007367555343
EOS-3-50101,Cc1nc(-c2ccc(Cl)cn2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,XOVWZBVGVNXKOP-UHFFFAOYSA-N,3,1,0.442,18,531,479.331,4.275,5,0.333,0.61,1.0,0.7440888218764992,0.6413542594750189,0.4326040024672744,0.5151548900006854,0.5833004934548695
EOS-3-50102,Fc1c(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cnn1C(F)F,CHNUOCKRFRBMCF-UHFFFAOYSA-N,3,1,0.359,50,243,409.335,3.041,5,0.45,0.6,1.0,0.14588616270303612,0.28996470426975535,0.6383472688643684,0.5896528682064286,0.41596275101089714
EOS-3-50103,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(CNc5ccc(F)c(F)c5)n4)n23)cc1F,FKJMBIQKYCZNKT-UHFFFAOYSA-N,3,1,0.327,29,704,491.437,3.032,5,0.372,0.8,1.0,0.33938729353711194,0.30015077787677336,0.5272513878418204,0.4707782194503461,0.4093919196765129
EOS-3-50104,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnsc6)cc5)n34)cn2)co1,KWSXUTTZHVUGTD-UHFFFAOYSA-N,3,1,0.314,42,174,422.473,5.237,6,0.387,0.67,1.0,0.13528030978000138,0.14909875950928655,0.6885494482900418,0.7033445274484271,0.4190682612569392
EOS-3-50105,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)cc3Cl)n12,CJJPNOTYCSRGBK-UHFFFAOYSA-N,3,1,0.553,35,265,482.306,4.711,5,0.346,0.67,1.0,0.9327496401891577,0.9408796518401754,0.8561870331025975,0.8895637721883353,0.9048450243300665
EOS-3-50106,Cc1ccc(-c2nnc3cncc(OCc4csc(-c5nc(Cl)ncc5C)c4)n23)cc1,DOSDVXFAZBJTMO-UHFFFAOYSA-N,3,1,0.548,89,805,448.939,5.159,5,0.345,0.68,0.996,0.8422058118017957,0.7637756151052019,0.5203807141388527,0.4766551298745802,0.6507543177301076
EOS-3-50107,Fc1cc(-c2ccccc2)cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,KLFYQHDPCCVGBH-UHFFFAOYSA-N,3,1,0.746,57,853,448.86,5.969,5,0.332,0.81,1.0,0.9838170790213145,0.9792937427181139,0.9822150640805977,0.9885888561441984,0.9834786854910562
EOS-3-50108,Clc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)s2)ccn1,YOLCQHGXVYFNPK-UHFFFAOYSA-N,3,1,0.294,76,368,456.922,5.02,6,0.374,0.58,0.996,0.12985744637105065,0.3251062298677267,0.5508703995613734,0.6109759440751148,0.4042025049688164
EOS-3-50109,N#Cc1cc(F)cc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ncn2)c1,GWOXDKMPSQLMEJ-UHFFFAOYSA-N,3,1,0.378,44,971,478.274,5.358,5,0.343,0.76,1.0,0.7409961620176821,0.8212939483243095,0.9523507641696937,0.9700500308409293,0.8711727263381537
EOS-3-50110,Clc1ccc(-c2nnc3cncc(OCc4cc(CC5CCC5)ncn4)n23)cn1,AHMDFXBVKXPAGM-UHFFFAOYSA-N,3,1,0.456,78,66,407.865,3.551,5,0.451,0.72,0.998,0.5123192378863684,0.7377064628880817,0.051778493591940235,0.23151257624563087,0.3833291926530053
EOS-3-50111,Fc1cc(-c2cscn2)cc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)c1,IXKGZCMHGPHZDU-UHFFFAOYSA-N,3,1,0.576,88,732,469.904,5.468,5,0.33,0.73,1.0,0.8991929956822698,0.9218268110479062,0.9290572955931738,0.9435525323829758,0.9234074086765814
EOS-3-50112,CCn1ccnc1-c1cc(C)c(F)cc1-c1nnc2cncc(-c3ccc(-c4cnco4)cc3)n12,IDFJEBYFLJVZDY-UHFFFAOYSA-N,3,1,0.276,42,106,465.492,5.444,6,0.337,0.69,1.0,0.31731032828455896,0.34439037763004593,0.6806164759098075,0.6374134740593517,0.49493266397094104
EOS-3-50113,Cc1nccc(CCOc2cncc3nnc(-c4cnnc(-c5nc(C)n[nH]5)c4)n23)n1,RKLDZNYHADXSST-UHFFFAOYSA-N,3,1,0.439,31,986,415.421,1.395,5,0.432,0.52,0.922,0.43702453567267496,0.289973271194572,0.016988211911452264,0.008943869508601193,0.18823247207182509
EOS-3-50114,N#Cc1ccc(-c2nnc3cncc(-c4[nH]c(-c5ccc(F)cc5)nc4-c4ccc(F)cc4)n23)cc1,NNDXOKZXHBFZSF-UHFFFAOYSA-N,3,1,0.442,83,950,475.462,5.665,6,0.355,0.81,0.996,0.3603591254883147,0.564860187786992,0.9384809128915085,0.9567541635254609,0.705113597423069
EOS-3-50115,CCn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)nc(Cl)n4)n23)c(F)c1,CSUQDFVZTVWQHT-UHFFFAOYSA-N,3,1,0.438,36,79,469.843,3.37,5,0.275,0.64,1.0,0.4344544582276746,0.5847868549105613,0.41038139949283803,0.4520937564251936,0.4704291172640669
EOS-3-50116,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)c(F)c1F,VRJTYQZTLVGUTR-UHFFFAOYSA-N,3,1,0.506,23,281,405.767,3.879,4,0.471,0.78,1.0,0.9054811184977041,0.9447776026317593,0.9504489068603934,0.9598553903090946,0.9401407545747378
EOS-3-50117,Fc1ccc(CCCCOc2cncc3nnc(-c4cnnc(-c5cccnc5)c4)n23)nn1,PXSWPTRKZSNTDJ-UHFFFAOYSA-N,3,1,0.4,53,778,443.446,2.974,5,0.334,0.45,1.0,0.5781988897265438,0.5944246453293126,0.09675484887944623,0.1457062572818861,0.35377116030429717
EOS-3-50118,Cc1nc(-c2cc(Cl)ccc2-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)ccc1F,JKMJMMFBEOMNRM-UHFFFAOYSA-N,3,1,0.304,10,872,484.886,3.992,6,0.369,0.63,1.0,0.016439928723185525,0.25887533411006786,0.47869405798094716,0.5644918100198753,0.32962528270851893
EOS-3-50119,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cnc(C)s5)n34)cnn2)cn1,SOBJMMUKTGXYIY-UHFFFAOYSA-N,3,1,0.529,92,182,419.474,2.809,5,0.413,0.49,1.0,0.1544359536700706,0.12027105750119937,0.053774587074223834,0.032562881228154344,0.09026111986841204
EOS-3-50120,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cccs1,ZKALLJMMKMBPPE-UHFFFAOYSA-N,3,1,0.699,57,798,436.899,5.891,5,0.344,0.86,1.0,0.9894883832499486,0.9823692687272977,0.9458656020834761,0.9578935645260778,0.9689042046467
EOS-3-50121,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(F)c4C(F)F)n23)c(Cl)c1,SSWMCGPMPBKASL-UHFFFAOYSA-N,3,1,0.317,45,252,473.821,5.123,5,0.339,0.68,1.0,0.33470118566239465,0.5553766020149408,0.9719090535261462,0.9733911315194298,0.7088444931807278
EOS-3-50122,COc1ncncc1COc1cncc2nnc(-c3cnnc(-c4ccnc(F)c4)c3)n12,OKVYOSBHYLOZAR-UHFFFAOYSA-N,3,1,0.388,55,875,431.391,2.16,5,0.369,0.43,1.0,0.6096480707285313,0.4865584949626482,0.29985950243300663,0.2197159207730793,0.40394549722431633
EOS-3-50123,Cc1cnc(-c2ncccc2-c2nnc3cncc(OCc4ccnc(-c5ccns5)n4)n23)cn1,CTCKMBOEUPQAAE-UHFFFAOYSA-N,3,1,0.454,80,34,480.517,3.444,6,0.349,0.61,1.0,0.3347097525872113,0.32957816462202727,0.07158522376807622,0.05918031663354122,0.198763364402714
EOS-3-50124,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cccc(Cl)c5F)n4)n23)cc1,PCPQLHCYCRDFHR-UHFFFAOYSA-N,3,1,0.48,89,731,489.898,3.979,5,0.384,0.73,1.0,0.7471814817353163,0.5648687547118086,0.6806250428346241,0.620074018230416,0.6531873243780413
EOS-3-50125,COCc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)cn1,WRGVVIKYTPAYAC-UHFFFAOYSA-N,3,1,0.475,65,858,474.912,3.46,5,0.312,0.57,1.0,0.5304896854225207,0.505208690288534,0.44005722705777534,0.392176684257419,0.4669830717565623
EOS-3-50126,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)s1,IBQXZLHUYWYECI-UHFFFAOYSA-N,3,1,0.522,2,419,467.917,4.427,5,0.341,0.59,1.0,0.6984699472277431,0.7281372078678637,0.5866287437461449,0.5741467342882599,0.6468456582825028
EOS-3-50127,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)c(Cl)c2)nn1,QZMCZBFAOSWSPH-UHFFFAOYSA-N,3,1,0.294,30,498,477.919,4.729,6,0.358,0.6,0.998,0.1572544719347543,0.23325166198341443,0.41786032485778907,0.541883695428689,0.3375625385511617
EOS-3-50128,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)c1,MKLGMQKYZQTXKD-UHFFFAOYSA-N,3,1,0.44,18,529,448.939,4.893,5,0.344,0.58,1.0,0.6528168048797204,0.709898224933178,0.5406757590295388,0.5677215406757591,0.6177780823795491
EOS-3-50129,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cc(Cl)nc(-c4ccc(F)c(F)c4)c3)n12,DZMLDLRWLCCUMT-UHFFFAOYSA-N,3,1,0.551,37,563,481.894,4.448,5,0.333,0.7,1.0,0.5726817901446097,0.7189534644643959,0.720109999314646,0.7411589335891988,0.6882260468782126
EOS-3-50130,Cc1ccc(-c2nnc3cncc(COCc4ccc(Cl)c(-c5ncccc5F)c4)n23)cc1,NVLKHVFSCBIMEY-UHFFFAOYSA-N,3,1,0.556,57,358,459.912,5.671,5,0.327,0.75,1.0,0.6623003906517716,0.7595606880954012,0.9219810156946062,0.9216297717771229,0.8163679665547255
EOS-3-50131,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4F)n23)n(C)n1,FSNCKZVVSPFDIJ-UHFFFAOYSA-N,3,1,0.367,67,292,471.46,2.652,6,0.377,0.51,1.0,0.4511256939209102,0.5052172572133506,0.16006442327462134,0.1384158042629018,0.313705794667946
EOS-3-50132,Cn1cc(-c2cncc(-c3cncc4nnc(-c5nncnc5-c5ccc(Cl)c(F)c5)n34)c2)cn1,UTENVBHPUHGIQY-UHFFFAOYSA-N,3,1,0.264,10,967,484.886,3.898,6,0.37,0.62,0.965,0.13270166541018436,0.21811390583236243,0.5963008018641628,0.6807364128572407,0.40696319649098756
EOS-3-50133,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccccc6)ns5)n34)cn2)cn1,GFDMLDRJTIQQRR-UHFFFAOYSA-N,3,1,0.378,30,203,468.933,5.087,6,0.332,0.71,1.0,0.17072167774655608,0.3295867315468439,0.37421184291686654,0.5050116510177507,0.34488297580700433
EOS-3-50134,N#Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)nc1,IIGVGKQCMDNHKP-UHFFFAOYSA-N,3,1,0.524,75,420,407.397,2.489,5,0.431,0.72,1.0,0.45113426084572683,0.4470478377081763,0.3553646083201974,0.3063018298951408,0.3899621341923103
EOS-3-50135,N#Cc1cnnc(-c2ccnc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)c2)c1,PUNLRSXCVDSIDJ-UHFFFAOYSA-N,3,1,0.454,27,51,474.406,4.171,5,0.36,0.56,0.944,0.7789990405044205,0.912317524501405,0.9405541086971421,0.9172520731958056,0.8872806867246932
EOS-3-50137,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5cc(-c6nnccc6F)nn5C)n34)cc2)n1C,YOAXTXGAGPIQNX-UHFFFAOYSA-N,3,1,0.364,67,622,482.483,3.622,6,0.366,0.59,1.0,0.512327804811185,0.5233106024261531,0.2595521211705846,0.20813343842094442,0.3758309917072168
EOS-3-50138,N=c1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc(-c2cnc(CO)cn2)[nH]1,OUWQCJFDGZFZRW-UHFFFAOYSA-N,3,1,0.458,59,910,462.42,2.405,5,0.352,0.57,0.958,0.44864128572407647,0.4063292440545542,0.737980604482215,0.6572287711603043,0.5625449763552876
EOS-3-50139,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4nccnc4-c4cnccn4)n23)c(F)c1,JKIJVDQWUABKKQ-UHFFFAOYSA-N,3,1,0.427,80,277,481.455,2.552,6,0.349,0.55,1.0,0.40957610856007126,0.4424559660064423,0.19575423206085943,0.1991124665889932,0.3117246933040915
EOS-3-50140,Cn1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1-c1ccc(Cl)cc1Cl,VYXMZOVTPFHERR-UHFFFAOYSA-N,3,1,0.448,45,533,455.736,5.819,5,0.344,0.77,1.0,0.212579672400795,0.4865670618874649,0.9246795970118566,0.9717976835035296,0.6489060037009116
EOS-3-50141,Cc1nccc(COc2cncc3nnc(-c4cnnc(-c5ccnc(F)c5)c4)n23)c1Cl,YHWXFEIOMWMFHG-UHFFFAOYSA-N,3,1,0.406,55,606,448.849,3.718,5,0.375,0.45,1.0,0.6589421561236378,0.6754848879446234,0.6695223082722226,0.6660784044959221,0.6675069392091015
EOS-3-50142,CCn1c(-c2cnn(C)c2)nnc1-c1cncc2nnc(-c3ccc(-c4nc(C)nn4C)cc3F)n12,KTZXBWYOCUKWHI-UHFFFAOYSA-N,3,1,0.333,8,765,484.503,2.713,6,0.366,0.6,1.0,0.0957525186758961,0.21812247275717908,0.022445343019669658,0.02779967103008704,0.09103000137070796
EOS-3-50143,Fc1ncc(-c2cnnc(-c3cncc4nnc(-c5nccnc5-c5cncs5)n34)c2)nn1,BOKPSNGEMUVPNV-UHFFFAOYSA-N,3,1,0.265,86,953,456.43,2.153,6,0.384,0.41,0.915,0.1298660132958673,0.18975738468919195,0.05744979782057433,0.09074086765814543,0.11695351586594475
EOS-3-50144,CCn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)cc1Cl,OPDYNYORZSHMDJ-UHFFFAOYSA-N,3,1,0.5,13,145,470.295,5.308,5,0.346,0.7,1.0,0.5253323966828867,0.705357754780344,0.7432920978685491,0.834769721060928,0.7021879925981769
EOS-3-50145,COCCn1ncc(-c2cnc(COc3cncc4nnc(-c5ccc(COC)nc5)n34)[nH]2)n1,XMBASQUKQAJCRV-UHFFFAOYSA-N,3,1,0.382,92,986,462.474,1.54,5,0.324,0.52,0.986,0.25586834349941745,0.10436227811664725,0.03092659858817079,0.014709409910218628,0.10146665752861353
EOS-3-50146,Clc1ccncc1-c1ccccc1-c1cncc2nnc(-c3ncncc3-c3ccccc3)n12,IUFBMVXZKSTXPY-UHFFFAOYSA-N,3,1,0.301,30,737,461.916,5.631,6,0.338,0.72,1.0,0.2125882393256117,0.2692156123637859,0.7592265780275512,0.8516808306490302,0.5231778150914947
EOS-3-50147,O=C(c1ccc(F)cc1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)s1,NWTFDAZGCVZPEY-UHFFFAOYSA-N,3,1,0.374,62,3,450.445,5.828,5,0.316,0.84,1.0,0.38330991707216777,0.6269446919333836,0.9593670755945446,0.9560945103145775,0.7314290487286684
EOS-3-50148,N#Cc1nccc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c2)n1,ABIRZNQHIBVKLF-UHFFFAOYSA-N,3,1,0.361,33,53,490.487,2.381,6,0.359,0.74,1.0,0.3671526968679323,0.17712117058460694,0.11546501267904873,0.1092711260365979,0.19225250154204648
EOS-3-50149,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnnn5C)cc4Cl)n23)n1,LAWZALLYLSGKNH-UHFFFAOYSA-N,3,1,0.261,39,972,480.923,4.068,6,0.371,0.58,0.34,0.04390548968542252,0.1605784387636214,0.2743043657048866,0.34388492906586254,0.20566830580494827
EOS-3-50150,Cc1cncc(-c2ccc(-c3nnc4cncc(Cc5cnc(CF)nc5)n34)cn2)n1,ZTJRNZSKVYWHDZ-UHFFFAOYSA-N,3,1,0.333,85,976,413.42,2.802,5,0.433,0.5,1.0,0.23470803920224795,0.18133609759440752,0.14460112398053596,0.12753580974573367,0.17204526763073127
EOS-3-50151,Fc1cnc(F)c(COc2cncc3nnc(-c4cc(-c5ccc(C(F)F)nc5)n[nH]4)n23)c1,GCWINTLEJNICTB-UHFFFAOYSA-N,3,1,0.394,27,963,456.363,3.766,5,0.306,0.58,0.993,0.7077136591049277,0.5140240559248852,0.8955092180111027,0.8481084230004797,0.7413388390103488
EOS-3-50152,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn[nH]c6)nc5)n34)cc2)no1,LEJRJJYMCCJANV-UHFFFAOYSA-N,3,1,0.315,42,762,407.397,3.293,6,0.472,0.69,1.0,0.20153690631211021,0.16846857651977246,0.41038996641765474,0.395115139469536,0.2938776471797684
EOS-3-50153,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C5CC5)nn4)n23)nn1,SXSCQRVPJRBCOV-UHFFFAOYSA-N,3,1,0.347,63,105,404.394,0.582,5,0.484,0.79,1.0,0.2990627784250565,0.10129531903228017,0.0009166609553834555,0.00029984236858337333,0.10039365019532588
EOS-3-50154,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4nc(-c5nnnn5C)ccc4Cl)n23)cc1,VZEZFFYZAJTOKH-UHFFFAOYSA-N,3,1,0.424,67,789,486.887,2.618,6,0.357,0.71,1.0,0.48719244739908163,0.5897128366801453,0.05932595435542458,0.07827599204989377,0.30362680762113625
EOS-3-50155,Cc1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)nc(-c5cnc(F)cn5)n4)n23)cn1,JBMYCNPAESAOCE-UHFFFAOYSA-N,3,1,0.468,27,69,483.389,3.479,5,0.346,0.62,1.0,0.7378863683092317,0.8462151326159961,0.7688215338222192,0.5866801452950449,0.734900795010623
EOS-3-50156,Cn1cnc(-c2ccc(-c3nnc4cncc(OCC=Cc5cnc(Cl)c(F)c5)n34)c(F)n2)n1,FWBRPQAWNWTKAD-UHFFFAOYSA-N,3,1,0.402,58,24,481.854,3.401,5,0.339,0.61,0.981,0.6438129668974025,0.7329946542389144,0.4787026249057638,0.44886402576930984,0.5760935679528476
EOS-3-50157,Fc1cc(OCc2cncc3nnc(-c4cccc(-c5ccccc5F)c4)n23)ccc1Cl,CWCHZSJGYNRZQN-UHFFFAOYSA-N,3,1,0.467,57,480,448.86,5.969,5,0.332,0.81,1.0,0.7440973888013159,0.8813223905147008,0.9802361044479474,0.9871153450757316,0.898192807209924
EOS-3-50158,CCc1nc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ncc(OC)s1,PMCMSOYSCLHAHC-UHFFFAOYSA-N,3,1,0.462,18,690,459.535,3.897,5,0.344,0.53,0.997,0.2509851963539168,0.145166541018436,0.09446747995339592,0.05473408265369063,0.13633832499485984
EOS-3-50159,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)ncc1Cl,BCGVBHPVACZPNF-UHFFFAOYSA-N,3,1,0.512,37,141,469.904,5.468,5,0.33,0.73,1.0,0.9006750736755534,0.919950654513056,0.9105099033650881,0.9277551230210404,0.9147226886436844
EOS-3-50160,Fc1nccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)c1Cl,ZRTXERSYFGSSHU-UHFFFAOYSA-N,3,1,0.517,34,675,468.279,4.668,5,0.346,0.57,1.0,0.9360736070180248,0.9610290590089782,0.8623723528202316,0.8950551709958193,0.9136325474607635
EOS-3-50161,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5nc(-c6ccccc6)cs5)n34)ccn2)n1,IKGDJUBWDZKVGH-UHFFFAOYSA-N,3,1,0.468,28,667,478.541,4.654,6,0.341,0.7,1.0,0.38558015214858476,0.3588170790213145,0.23819477760263175,0.22537009115208004,0.30199052498115275
EOS-3-50162,Cc1nn(C)c(-c2cccnc2Cl)c1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3)n12,RGGVZWYNIMZBHL-UHFFFAOYSA-N,3,1,0.305,98,642,482.939,4.011,6,0.349,0.63,1.0,0.06190459872524159,0.17272633815365637,0.20629154958536083,0.2640840243986019,0.17625162771571518
EOS-3-50163,CC#Cc1cnccc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)nc(F)c4)n23)c1,RNQFCSSSBGDSGE-UHFFFAOYSA-N,3,1,0.385,18,160,455.428,3.872,5,0.293,0.58,1.0,0.7077222260297443,0.5462870947844561,0.8434994174491125,0.7693184154615859,0.7167067884312247
EOS-3-50164,N#Cc1ccc2c(Cc3cncc4nnc(-c5cnc(Cl)nc5Cl)n34)[nH]nc2c1F,URMDLLLEQTXQQU-UHFFFAOYSA-N,3,1,0.318,68,861,440.229,3.366,5,0.337,0.56,0.782,0.28283702282228773,0.42919436639024056,0.6559437324378041,0.7858011788088548,0.5384440751147967
EOS-3-50165,Clc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(Cl)ncn5)n4)n23)cn1,PXFBUZQFNYGOMG-UHFFFAOYSA-N,3,1,0.4,7,354,452.265,3.319,5,0.292,0.54,1.0,0.5280995133986705,0.7330032211637311,0.4178688917826057,0.4980724419162497,0.5442610170653143
EOS-3-50166,COc1nc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)ccc1-c1nccn1C,KBDINQOCPZYIBW-UHFFFAOYSA-N,3,1,0.414,49,551,480.891,3.404,5,0.326,0.61,1.0,0.6743968884929066,0.5140326228497019,0.3145946131176753,0.28175759029538755,0.4461954286889178
EOS-3-50167,CCc1nc(-c2nnc3cncc(OCc4cc(F)nc(Cl)c4)n23)ccc1-c1cnc(C)cn1,RQQVPLLJHIXLTN-UHFFFAOYSA-N,3,1,0.396,46,717,476.903,4.281,5,0.334,0.61,1.0,0.6236892605030498,0.6035998218079638,0.4178774587074224,0.38569152217120145,0.5077145157974093
EOS-3-50168,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)c1,PVUCBYHBZKGSIZ-UHFFFAOYSA-N,3,1,0.565,35,429,469.357,5.238,5,0.339,0.69,1.0,0.8942927146871359,0.8921081488588856,0.7688301007470358,0.8347782879857446,0.8475023130697005
EOS-3-50169,Cc1nnc(-c2cc(-c3cncc4nnc(-c5nncnc5-c5cccc(Cl)c5)n34)ccn2)s1,AVPOGHDVUKYGAF-UHFFFAOYSA-N,3,1,0.3,10,543,484.936,4.186,6,0.362,0.65,1.0,0.09331094510314578,0.22856555410869714,0.12659344801590022,0.2550887533411007,0.17588967514221096
EOS-3-50170,Clc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)ccn2)c1,HRFIAUDPMRKUMR-UHFFFAOYSA-N,3,1,0.74,57,732,462.34,5.782,5,0.32,0.77,1.0,0.9054896854225207,0.9102871633198547,0.9012319237886368,0.9394918100198753,0.914125145637722
EOS-3-50171,Cc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cc(-c2ccc(C#N)cn2)n1,SNMGEMGJESHOSN-UHFFFAOYSA-N,3,1,0.427,13,724,475.846,5.152,5,0.354,0.68,1.0,0.8146545815913919,0.8213025152491261,0.9298368857514906,0.9216383387019396,0.8718580803234871
EOS-3-50172,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4nccs4)n23)c(F)c1,AUKYYSQNEZIWEK-UHFFFAOYSA-N,3,1,0.612,36,79,408.422,2.761,5,0.441,0.7,1.0,0.3741261736686999,0.5052258241381674,0.24892056747309985,0.25195325885820025,0.3450564560345419
EOS-3-50173,CC(F)(F)c1ccc(-c2nnc3cncc(-c4cc(-c5ccoc5)nc(C5CC5)n4)n23)cc1,TWMMHSAKZFUHAS-UHFFFAOYSA-N,3,1,0.341,52,582,444.445,5.497,6,0.356,0.69,1.0,0.37413474059351653,0.3492392570762799,0.7172143787266123,0.7384860530463985,0.5447686073607018
EOS-3-50174,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nc(C(F)F)n(C)n5)nc4)n23)ccc1Cl,DHRGMLATTZCHPT-UHFFFAOYSA-N,3,1,0.506,16,51,482.882,4.46,5,0.352,0.69,0.997,0.5458073469947228,0.7189620313892126,0.5835446508121445,0.5481375505448565,0.599112894935234
EOS-3-50175,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccc(F)nc3Cl)n12,RLZBRFBPPFJKHS-UHFFFAOYSA-N,3,1,0.489,58,710,477.887,4.066,5,0.323,0.59,1.0,0.8278647796586938,0.7934942772942225,0.4719176204509629,0.44247309985607564,0.6339374443149887
EOS-3-50176,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6nc(C)n(C)n6)nn5)n34)cn2)n[nH]1,RFWROWVCKKPAPU-UHFFFAOYSA-N,3,1,0.34,99,502,481.484,1.753,6,0.368,0.63,0.755,0.3298865739154273,0.23858028921938182,0.00852409019258447,0.003769446919333836,0.14519010006168184
EOS-3-50177,COc1cc(-c2nnc3cncc(OCc4cccc(-c5cnccn5)n4)n23)ccc1-c1cnco1,VVBQICDDGGKLSP-UHFFFAOYSA-N,3,1,0.49,28,667,478.472,3.886,6,0.333,0.58,1.0,0.35805462271263105,0.20342162977177713,0.43261256939209103,0.2936741827153725,0.32194075114796794
EOS-3-50178,CCc1nc(-c2cccnn2)ccc1-c1cncc2nnc(-c3cnc(-c4ccccn4)s3)n12,MHBIVWZYOPNLFO-UHFFFAOYSA-N,3,1,0.287,76,191,463.53,4.391,6,0.37,0.53,0.964,0.09576108560071277,0.12027962442601604,0.0922914810499623,0.10697519018573093,0.10382684531560551
EOS-3-50179,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ccc(Cl)nc1,LFPLBQASNBDTIZ-UHFFFAOYSA-N,3,1,0.506,4,83,464.938,4.859,5,0.331,0.65,1.0,0.5585977657460078,0.6660184360222055,0.527259954766637,0.4551350147351107,0.5517527928174902
EOS-3-50180,CCn1cnnc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4Cl)n23)ccc1F,RKXXHHWMDRFMAE-UHFFFAOYSA-N,3,1,0.477,13,252,470.295,5.308,5,0.346,0.69,1.0,0.606975190185731,0.8213110821739429,0.7888767048180385,0.8632461791515318,0.770102289082311
EOS-3-50181,c1ccc(-c2csc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cc1,AHFLZWJCTKACHX-UHFFFAOYSA-N,3,1,0.573,12,427,462.538,5.556,6,0.323,0.79,1.0,0.4256476595161401,0.5140411897745185,0.509877664313618,0.5215543828387362,0.4927802241107532
EOS-3-50182,FC(F)(F)c1cccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)n1,PBGDKPLNVUBNCV-UHFFFAOYSA-N,3,1,0.489,27,199,484.829,4.29,5,0.364,0.66,1.0,0.6835120964978412,0.8059591529024741,0.9023798917140703,0.8168734151189089,0.8021811390583236
EOS-3-50183,CCn1cc(-c2cncc3nnc(-c4ccc(OC(F)F)c(C#N)c4)n23)c(CCC(F)(F)F)n1,OTHPUVSRCFDXRV-UHFFFAOYSA-N,3,1,0.375,66,455,477.397,4.643,4,0.36,0.7,1.0,0.3488451785347132,0.47794873552189704,0.9544924953738606,0.9216469056267562,0.6757333287643068
EOS-3-50184,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)s5)n34)cn2)s1,BPMFEVLKBBECEV-UHFFFAOYSA-N,3,1,0.404,52,229,490.574,3.214,6,0.378,0.8,1.0,0.019207045438969228,0.006819272154067576,0.0010023302035501336,0.001345007196216846,0.007093413748200946
EOS-3-50185,CCc1cc(Cl)nnc1-c1cc(COc2cncc3nnc(-c4cncc(Cl)c4)n23)ncn1,AATJXYMSLWWUPD-UHFFFAOYSA-N,3,1,0.424,7,354,480.319,3.882,5,0.357,0.57,0.998,0.519883832499486,0.7003118360633267,0.2926375848125557,0.3763021725721335,0.47228385648687543
EOS-3-50186,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)cnn2)c1F,PTUJAAVFYDMTBC-UHFFFAOYSA-N,3,1,0.489,88,265,483.841,4.336,5,0.355,0.66,1.0,0.9023541909396203,0.9142193818107053,0.9153245151120554,0.9318244123089576,0.9159306250428347
EOS-3-50187,Cc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(C)nn5)ncn4)n23)ccn1,SXOKVHVNDYBNLE-UHFFFAOYSA-N,3,1,0.489,7,185,412.417,2.024,5,0.422,0.54,1.0,0.30162428894524024,0.1855424576793914,0.057458364745391,0.03571550956068809,0.1450851552326777
EOS-3-50188,CCn1cncc1-c1cc(-c2nnc3cncc(Oc4cc(Cl)c(F)cc4Cl)n23)ncn1,WRDAXKRWGNCNDC-UHFFFAOYSA-N,3,1,0.354,46,971,471.283,4.703,5,0.343,0.61,0.955,0.5726903570694264,0.589721403604962,0.7278030978000137,0.7693269823864026,0.6648854602152012
EOS-3-50189,Fc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1Cl,IBPZFBJHJWVVBE-UHFFFAOYSA-N,3,1,0.662,23,627,407.207,4.955,4,0.48,0.82,1.0,0.9929751216503324,0.9940631211020492,0.9901309026111987,0.9963933246521829,0.9933906175039408
EOS-3-50190,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4cc(-c5cnnc(F)c5)ccc4F)n23)c1,MFVQZNDNTINCQA-UHFFFAOYSA-N,3,1,0.345,3,192,482.429,4.79,6,0.357,0.67,1.0,0.34885374545952985,0.4819494894112809,0.8905404016174354,0.915178877390172,0.6591306284696046
EOS-3-50191,Cn1nc(-c2ccc(Cl)cn2)nc1-c1cncc2nnc(-c3ccccc3F)n12,ZKKPFVQXQAYJAT-UHFFFAOYSA-N,3,1,0.437,22,844,406.812,3.441,5,0.456,0.72,1.0,0.17612740730587348,0.41577856212733877,0.27431293262970324,0.48273764649441436,0.33723913713933246
EOS-3-50192,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4Cl)n23)c1,GUQQKILXDSEWEQ-UHFFFAOYSA-N,3,1,0.561,24,338,456.318,4.591,5,0.357,0.59,1.0,0.4897025563703653,0.7003204029881434,0.4579706668494277,0.5741553012130766,0.5555372318552532
EOS-3-50193,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5F)n34)ccc2F)cn1,IVLMRRIHEUCYHJ-UHFFFAOYSA-N,3,1,0.489,73,772,467.386,4.087,5,0.284,0.62,1.0,0.920104859159756,0.8921167157837023,0.921989582619423,0.8895723391131519,0.9059458741690083
EOS-3-50194,Cn1cnnc1-c1cnc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,QPNYQQGDCNOGOB-UHFFFAOYSA-N,3,1,0.521,36,706,405.809,2.823,5,0.449,0.78,1.0,0.6236978274278665,0.6904341717497087,0.1991981358371599,0.25509732026591736,0.44210686382016307
EOS-3-50195,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc(F)cc(F)c5)c(F)c4)n23)c1,BORFDNOVJDRQTD-UHFFFAOYSA-N,3,1,0.37,25,228,484.445,4.733,6,0.36,0.71,1.0,0.22645809060379687,0.40633781097937083,0.8561956000274141,0.8978051538619697,0.5966991638681379
EOS-3-50196,CCOC(=O)c1ccc(-c2ccc(COc3cncc4nnc(-c5ccc(C)nn5)n34)cc2F)cn1,OKQSGXOEBUFYIG-UHFFFAOYSA-N,3,1,0.433,89,348,485.479,3.847,5,0.317,0.74,1.0,0.5227280515386197,0.42475669933520666,0.37422040984168325,0.26986669864985263,0.3978929648413405
EOS-3-50197,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4cnc(-c5nnco5)n4C)n23)c1,UOZIODQMLHQMEO-UHFFFAOYSA-N,3,1,0.343,92,905,469.469,2.432,6,0.342,0.51,0.986,0.22917380577068056,0.1605870056884381,0.04655266945377287,0.0315091494757042,0.11695565759714895
EOS-3-50198,Cc1nnc(-c2cc(Cl)cc(-c3nnc4cncc(Oc5ncc(Cl)cc5F)n34)c2)s1,GVWOALVUFLNZHD-UHFFFAOYSA-N,3,1,0.396,13,706,474.308,5.251,5,0.351,0.73,1.0,0.6237063943526832,0.6951716811733261,0.6177352477554657,0.7090929340004112,0.6614265643204715
EOS-3-50199,Fc1ccc(-c2nc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)n[nH]2)c(F)c1,YAVRIZBIGJHVCZ-UHFFFAOYSA-N,3,1,0.404,4,817,484.43,3.286,6,0.378,0.61,0.398,0.4624683023781783,0.4819580563360976,0.43629634706325815,0.4738366116098965,0.46363982934685766
EOS-3-50200,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)s1,VBPSRMLFDAQBQK-UHFFFAOYSA-N,3,1,0.345,32,20,465.517,5.486,6,0.343,0.71,0.996,0.09331951202796245,0.3154084709752587,0.44367246933040916,0.5283993557672538,0.345199952025221
EOS-3-50201,COc1cc(-c2nnc3cncc(CCc4ccc(-c5ncc(F)cc5F)cn4)n23)ccc1Cl,BKAITMUXHOKLDN-UHFFFAOYSA-N,3,1,0.391,14,358,478.89,4.974,5,0.343,0.68,1.0,0.793168734151189,0.7974607634843397,0.8420087725310123,0.8444503461037626,0.8192721540675759
EOS-3-50202,OCc1nccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4F)n23)c1Cl,YKDZBLZMVLXWFM-UHFFFAOYSA-N,3,1,0.462,73,82,481.85,3.646,5,0.391,0.56,1.0,0.8537882941539305,0.8462236995408128,0.7869148790350216,0.7927403879103557,0.8199168151600301
EOS-3-50203,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c(Cl)c2)[nH]1,ZLJWZXZKBYWQGC-UHFFFAOYSA-N,3,1,0.438,73,772,481.854,3.27,5,0.394,0.65,1.0,0.7013227331916935,0.6464430128161195,0.6858680008224248,0.6603128640943047,0.6734866527311356
EOS-3-50204,CCn1ncnc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1C,QYFQCIMISALZJK-UHFFFAOYSA-N,3,1,0.495,16,55,464.892,4.145,5,0.348,0.52,0.988,0.45578610102117745,0.44705640463299295,0.4579792337742444,0.45835617846617777,0.45479447947364815
EOS-3-50205,CCn1cnnc1-c1cccc(-c2cncc3nnc(-c4scnc4-c4ccc(OC)nc4)n23)c1,FBIURZJSAWRJLM-UHFFFAOYSA-N,3,1,0.284,42,727,481.545,4.264,6,0.347,0.68,1.0,0.09576965252552944,0.08882187649921185,0.12660201494071688,0.11164416421081488,0.10570942704406827
EOS-3-50206,CCn1c(-c2csc(C)n2)nnc1-c1cncc2nnc(-c3ccccc3-c3ccccc3)n12,LTDFEEYHCMVWAP-UHFFFAOYSA-N,3,1,0.311,30,474,464.558,5.169,6,0.35,0.63,0.982,0.07527756836406004,0.09177746556096224,0.06143341786032486,0.14083167706120212,0.09233003221163731
EOS-3-50207,Cc1cc(-c2ccc(Cc3cncc4nnc(-c5ccc(C#Cc6ccccc6)nc5)n34)cc2)nn1C,OGNKGECVBGOSQN-UHFFFAOYSA-N,3,1,0.35,77,319,481.563,4.886,6,0.335,0.76,1.0,0.1597560139812213,0.13787608799945172,0.6939894455486258,0.6226869302994997,0.40357711945719965
EOS-3-50208,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1nccs1,CHHFHIHLBPSWPZ-UHFFFAOYSA-N,3,1,0.462,97,383,468.901,4.69,5,0.334,0.65,1.0,0.8959118634774861,0.8213196490987595,0.7569820437255843,0.6838033719416079,0.7895042320608595
EOS-3-50209,CCCc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nn5)c4)n23)ccc1F,UAFRLGRQOWDRDR-UHFFFAOYSA-N,3,1,0.495,24,97,475.915,4.967,5,0.328,0.7,0.998,0.8095401274758413,0.7683160852580357,0.6831865533548077,0.6660869714207388,0.7317824343773559
EOS-3-50210,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)nc2F)nn1C,OKAOCWZAPAMURZ-UHFFFAOYSA-N,3,1,0.396,31,814,483.87,3.238,5,0.339,0.65,0.987,0.5253409636077033,0.5186758961003358,0.20630011651017752,0.26987526557466934,0.3800480604482215
EOS-3-50211,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(F)nc6F)cn5)n34)nc2)n1,LKGJWPPKUBCNQF-UHFFFAOYSA-N,3,1,0.272,70,392,479.454,4.354,6,0.344,0.6,1.0,0.3095058597765746,0.34924782400109655,0.6445240216571859,0.6200825851552326,0.4808400726475224
EOS-3-50212,Fc1ccc(Cl)cc1-c1nnc2cncc(-c3ncn(-c4nc(-c5cccnc5)cs4)n3)n12,GSISXTIAZCOVIY-UHFFFAOYSA-N,3,1,0.315,10,871,475.9,4.35,6,0.373,0.57,0.585,0.05154718662189021,0.28998183811938866,0.3365430744979782,0.49808100884106643,0.2940382770200809
EOS-3-50213,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccccc4Cl)n23)nc1,OUVYEFOMYPNJJK-UHFFFAOYSA-N,3,1,0.386,39,961,404.796,3.498,5,0.454,0.84,1.0,0.2587725310122678,0.38733637173600166,0.3291926530052772,0.545130559934206,0.3801080289219382
EOS-3-50214,CCc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cnc(CF)cn1,TZVQCVIKGUBRSG-UHFFFAOYSA-N,3,1,0.406,46,122,476.903,4.303,5,0.32,0.64,0.813,0.5642690699746419,0.5988794462339798,0.2890480433143719,0.29979953395929,0.4379990233705709
EOS-3-50215,Fc1cc(-c2ccccc2Cl)cnc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,MQRWSXJISKRSHF-UHFFFAOYSA-N,3,1,0.514,57,417,452.276,6.092,5,0.33,0.86,1.0,0.9279093276677404,0.9716606127064629,0.9557004317730108,0.9750702487834967,0.9575851552326776
EOS-3-50216,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5nc(C)cc(F)n5)c4)n23)c1,BFCLQORVKLDCRU-UHFFFAOYSA-N,3,1,0.506,7,43,433.472,4.04,5,0.386,0.49,1.0,0.570120279624426,0.5794924953738606,0.31460318004249194,0.2519618257830169,0.4290444452059489
EOS-3-50217,COc1cccc(Cn2ncnc2-c2cncc3nnc(-c4nncnc4-c4cccc(F)c4)n23)n1,PYCSFMNTTXLLKX-UHFFFAOYSA-N,3,1,0.27,10,356,481.455,2.493,6,0.349,0.59,1.0,0.18483140291960798,0.24889486669864985,0.06733602905900898,0.10276883010074704,0.15095778219450345
EOS-3-50218,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccc2F)nn1,RBUBRISQVBJMPA-UHFFFAOYSA-N,3,1,0.529,34,607,466.398,4.692,5,0.276,0.68,1.0,0.9337776711671578,0.9236172983345898,0.9634534987320952,0.9516054417106435,0.9431134774861215
EOS-3-50219,Cc1csc(-c2cc(F)c(F)c(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c2)n1,IPJTZINYLTZPDH-UHFFFAOYSA-N,3,1,0.444,59,434,471.88,4.524,5,0.348,0.63,1.0,0.7378949352340484,0.7974693304091564,0.735556164759098,0.7145843328078952,0.7463761908025495
EOS-3-50220,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cc(C)ccn5)c4)n23)cc1,FIWFNBCZJWNOGM-UHFFFAOYSA-N,3,1,0.571,89,805,408.465,4.444,5,0.428,0.75,1.0,0.7230998560756631,0.5094321842231513,0.629232060859434,0.5215629497635529,0.5958317627304504
EOS-3-50221,Cc1cc(-c2nnc3cncc(OCc4ccns4)n23)cc(-c2cc(F)cc(Cl)c2)n1,PDPNKFIFOAIWBT-UHFFFAOYSA-N,3,1,0.529,97,439,452.902,4.99,5,0.374,0.57,1.0,0.6012096497841135,0.6515231992324035,0.7225515728873964,0.7539664861901172,0.6823127270235076
EOS-3-50222,OCc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)c(Cl)c1,LIDOMVRJIBTVRC-UHFFFAOYSA-N,3,1,0.433,4,207,480.315,4.021,5,0.388,0.59,0.981,0.465004112123912,0.5186844630251525,0.7998937701322734,0.8444589130285792,0.6570103145774793
EOS-3-50223,Clc1ccccc1Oc1nccnc1-c1cncc2nnc(-c3ccc(-c4cccnn4)cn3)n12,XLCVDRRGQFOJDT-UHFFFAOYSA-N,3,1,0.287,64,687,479.891,4.546,6,0.351,0.63,1.0,0.37867521074635047,0.46891919676512916,0.4139538071413885,0.4766636967993969,0.4345529778630663
EOS-3-50224,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cnc(C)s1,UGJNKHANSXJWKC-UHFFFAOYSA-N,3,1,0.396,31,602,478.969,4.246,5,0.342,0.64,0.842,0.4511428277705435,0.5742409704612432,0.08019498320882736,0.0907494345829621,0.299082054005894
EOS-3-50225,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(CO)nc(-c5cccnc5Cl)c4)n23)cc1F,GKYSNZOLPMBCGR-UHFFFAOYSA-N,3,1,0.316,96,648,489.898,3.56,5,0.362,0.8,1.0,0.3323281474881776,0.3443989445548626,0.6914793365773422,0.6461517373723529,0.5035895414981838
EOS-3-50226,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nncn5C)c(Cl)c4)n23)nn1,QTROXTCJFKPJHP-UHFFFAOYSA-N,3,1,0.382,67,789,485.899,3.223,6,0.361,0.66,1.0,0.48479370845041464,0.5094407511479679,0.16007299019943802,0.1828610102117744,0.33429211500239875
EOS-3-50227,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cc(-c6nn[nH]n6)nn5-c5ccccc5)n34)cc2)nn1,LHDLEGHWBFYQPV-UHFFFAOYSA-N,3,1,0.315,3,465,487.491,2.62,7,0.387,0.61,0.698,0.023319169350969775,0.052678020697690356,0.0967634158042629,0.1295833047769173,0.07558597765746009
EOS-3-50228,COc1c(F)cc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cncn4C)cc3F)n12,HYYPAWHXALTBSE-UHFFFAOYSA-N,3,1,0.473,59,607,482.878,4.711,5,0.349,0.71,1.0,0.7441059557261326,0.772488177643753,0.9209529847166061,0.8798317455966006,0.8293447159207731
EOS-3-50229,CCc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4c(C)cncc4C)cn3)n12,LVHGBMJMTBBVAO-UHFFFAOYSA-N,3,1,0.301,33,974,410.485,3.828,5,0.448,0.68,0.93,0.03270851895003769,0.01056301829895141,0.1760931396066068,0.13187924062778425,0.08781097937084503
EOS-3-50230,O=c1[nH]cc(-c2nnc3cncc(OCc4cccc(C(F)F)n4)n23)cc1-c1cnc(CF)cn1,DZGTVQRAOCOIDS-UHFFFAOYSA-N,3,1,0.44,27,69,480.41,3.318,5,0.376,0.59,0.992,0.4008549790967034,0.3154170379000754,0.6474025083955863,0.5481461174696731,0.4779551607155096
EOS-3-50231,Fc1cccc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)n1,LCTJZWPKECVZBH-UHFFFAOYSA-N,3,1,0.44,2,422,451.824,4.154,5,0.371,0.47,1.0,0.8095486944006579,0.7935028442190392,0.865070934137482,0.8665444452059489,0.833666729490782
EOS-3-50232,Fc1ccc(F)c(-c2nsc(-c3cncc4nnc(-c5cc(OC(F)F)ccc5F)n34)n2)c1,BOYKEHCWTDAHDQ-UHFFFAOYSA-N,3,1,0.416,45,730,476.39,4.996,5,0.333,0.71,0.998,0.4117606743883216,0.67549345486944,0.9463796175724762,0.9609091220615448,0.7486357172229456
EOS-3-50233,CCn1nc(-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)nc1-c1ncc(Cl)cn1,YMKUTKHPQDBUQR-UHFFFAOYSA-N,3,1,0.292,86,513,482.899,3.032,6,0.36,0.59,0.715,0.1960540744294428,0.23858885614419847,0.01790487286683572,0.03917654718662189,0.12293108765677473
EOS-3-50234,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nc2)cc1,ZDGOGFUOHNGCPN-UHFFFAOYSA-N,3,1,0.3,30,465,485.471,3.546,7,0.356,0.64,1.0,0.11041052703721473,0.07524330066479337,0.20630868343499417,0.24889486669864985,0.16021434445891303
EOS-3-50235,FC(F)(F)c1cnc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)cn1,XQQQZPFSJQOYEU-UHFFFAOYSA-N,3,1,0.4,46,128,485.817,3.685,5,0.367,0.61,1.0,0.572698923994243,0.7281457747926804,0.85021588650538,0.7643752998423686,0.7288589712836681
EOS-3-50236,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccccc4OC(F)F)ccn3)n12,VLESJRCPKXJIFH-UHFFFAOYSA-N,3,1,0.459,11,503,478.434,4.61,5,0.322,0.66,1.0,0.8626807621136316,0.8618069357823316,0.9141936810362552,0.8869251593448015,0.8814016345692549
EOS-3-50237,Fc1cccc(-c2cncc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cc5)n34)c2)c1,QTPHQVHGUFXTPX-UHFFFAOYSA-N,3,1,0.535,1,138,465.41,5.59,5,0.317,0.77,1.0,0.8943012816119525,0.9082482352134877,0.9955194983208827,0.9929579878006991,0.9477567507367555
EOS-3-50238,Cc1nc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1-c1cncnc1,KLAJVRVKBWARSP-UHFFFAOYSA-N,3,1,0.418,65,466,411.429,2.363,5,0.415,0.58,1.0,0.5123363717360017,0.33431567404564455,0.18899492838050852,0.15064937290110342,0.29657408676581454
EOS-3-50239,Clc1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccc4)n23)cc1Cl,AGOFMPWLHPXPGW-UHFFFAOYSA-N,3,1,0.582,57,709,454.342,5.801,5,0.336,0.83,1.0,0.9173377424439723,0.9273182098553903,0.795181961483106,0.8742632444657665,0.8785252895620588
EOS-3-50240,Fc1ccc(Oc2ccc(-c3nnc4cncc(Cc5cccc(F)c5)n34)cc2)cc1,SZLIUUJWNAOLRE-UHFFFAOYSA-N,3,1,0.489,79,590,414.415,5.453,5,0.384,0.78,1.0,0.6984785141525598,0.797477897333973,0.9584932492632444,0.9640017819203619,0.8546128606675348
EOS-3-50241,Fc1cnc(Oc2ccc(-c3nnc4cncc(OCc5cncc(F)c5Cl)n34)cn2)c(F)c1,VXVGMVFMPAFNJW-UHFFFAOYSA-N,3,1,0.444,73,564,485.813,4.418,5,0.348,0.75,1.0,0.9054982523473374,0.9082568021383044,0.897950791583853,0.8770731958056336,0.8971947604687821
EOS-3-50242,Cc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc(-c2cncc(F)c2)n1,CCLHCPVDKDTLHS-UHFFFAOYSA-N,3,1,0.433,37,661,480.866,3.9,5,0.36,0.56,1.0,0.7703978479884861,0.7974864642587897,0.577290795695977,0.6200911520800494,0.6913165650058255
EOS-3-50243,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5(C)CC5)c(F)c4)n23)c(F)c1,OVCUHAASOYDLBL-UHFFFAOYSA-N,3,1,0.306,61,269,486.486,3.814,6,0.405,0.68,1.0,0.2966297717771229,0.2795130559934206,0.3107223631005414,0.43314371873072444,0.3300022274004524
EOS-3-50244,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5ccccc5Cl)n34)cn2)c1,QVOVRRMMCRVQRA-UHFFFAOYSA-N,3,1,0.403,83,533,418.287,5.827,5,0.37,0.86,1.0,0.2291823726954972,0.4689277636899459,0.9314046329929409,0.9718062504283462,0.6503302549516825
EOS-3-50245,FC(F)c1cnc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cn1,HJAQOJXVSDTWEI-UHFFFAOYSA-N,3,1,0.527,75,819,480.866,4.251,5,0.318,0.65,1.0,0.7106606812418614,0.8462322664656295,0.6752535809745733,0.6403861969707354,0.7181331814131999
EOS-3-50246,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)cc1,BWNWDTMFAFYHQH-UHFFFAOYSA-N,3,1,0.298,39,144,487.314,4.198,6,0.364,0.73,0.824,0.043914056610239185,0.20823624151874442,0.23820334452744843,0.5081128778013844,0.2496166301144541
EOS-3-50247,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cnc1F,NKQRAIOJSZAPEC-UHFFFAOYSA-N,3,1,0.434,80,34,481.455,2.552,6,0.327,0.61,0.999,0.4049585360838873,0.4157871290521554,0.12661058186553356,0.11401720238503187,0.265343362346652
EOS-3-50248,Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6ccncc6)n5)n34)cn2)n1,YTORXZCUKLTQCY-UHFFFAOYSA-N,3,1,0.457,28,667,478.541,4.654,6,0.341,0.73,0.999,0.34658351038311286,0.4017031046535536,0.28535569871838806,0.22874545952984718,0.31559694332122545
EOS-3-50249,Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)sc1-c1ccc(F)nn1,SJCDQKCNWVFCDX-UHFFFAOYSA-N,3,1,0.43,58,578,467.917,4.427,5,0.341,0.6,0.99,0.7471900486601329,0.6367709546981015,0.4215184017545062,0.47078678637516275,0.5690665478719759
EOS-3-50250,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(OC(F)F)c1,SVEGIMCRYIBDOG-UHFFFAOYSA-N,3,1,0.364,10,195,485.458,4.041,6,0.351,0.69,1.0,0.05155575354670688,0.22857412103351382,0.7278116647248304,0.6866818586800082,0.4236558494962648
EOS-3-50251,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5ncc(-c6ccnc(Cl)c6)cn5)n34)cn2)cn1,XQHAFCTZGSZAAR-UHFFFAOYSA-N,3,1,0.272,86,989,482.87,3.955,6,0.344,0.61,0.999,0.2587810979370845,0.36852340483859913,0.5098862312384347,0.5896614351312452,0.4317130422863409
EOS-3-50252,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)nn5)c4)n23)cc1F,KNLGUHKQRIBJCT-UHFFFAOYSA-N,3,1,0.458,16,788,490.886,3.374,5,0.384,0.75,1.0,0.692310328284559,0.5186930299499691,0.5930453704338291,0.5215715166883695,0.5814050613391817
EOS-3-50253,N#Cc1cccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)n1,BPFHNOXZBIYHDS-UHFFFAOYSA-N,3,1,0.467,4,464,407.397,2.489,5,0.431,0.72,1.0,0.5304982523473374,0.5795010622986773,0.28905661023918855,0.237466588993215,0.4091306284696046
EOS-3-50254,COc1cc(C(F)F)cnc1-c1nc(C)ccc1-c1nnc2cncc(Cc3cnnc(C)c3)n12,WVUVHMKVPHRIGO-UHFFFAOYSA-N,3,1,0.31,85,60,474.475,4.192,5,0.361,0.55,0.137,0.43933760537317523,0.4292029333150572,0.5439311904598725,0.40751147967925433,0.45499580220683983
EOS-3-50255,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1ccc(CO)nc1,FCPSDJNWDFBEJA-UHFFFAOYSA-N,3,1,0.378,13,145,476.899,4.888,5,0.372,0.65,0.916,0.6409601809334521,0.728154341717497,0.754977383318484,0.7411675005140155,0.7163148516208622
EOS-3-50256,Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2F)n1,IJDNXYWUANLNSC-UHFFFAOYSA-N,3,1,0.523,11,639,465.941,5.637,5,0.325,0.78,1.0,0.9566941950517442,0.9436125008566925,0.784918785552738,0.7927489548351724,0.8694936090740868
EOS-3-50257,Fc1cccc(F)c1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,OJGIHLOBBJFCIU-UHFFFAOYSA-N,3,1,0.413,83,405,435.384,5.736,5,0.338,0.72,1.0,0.3833184839969844,0.7236909738880132,0.9882975807004317,0.9890514700842985,0.7710896271674319
EOS-3-50258,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)sn2)cn1,FCUZWHRIXIPFSL-UHFFFAOYSA-N,3,1,0.523,28,120,478.541,4.654,6,0.341,0.69,1.0,0.504771777122884,0.4470649715578096,0.29986806935782334,0.272693783839353,0.3810996504694675
EOS-3-50259,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4nccc(F)c4Cl)n23)nc1,ARZBCUUAVPSEOU-UHFFFAOYSA-N,3,1,0.301,70,314,484.886,3.898,6,0.37,0.61,0.97,0.17073024467137277,0.3050938934959907,0.37809265985881707,0.47667226372421356,0.33264726543759854
EOS-3-50260,Clc1ccc(-c2nnc3cncc(-c4csc(-c5c[nH]nn5)c4)n23)cc1Cl,DABIHIKWMZUSQB-UHFFFAOYSA-N,3,1,0.348,22,844,414.281,4.612,5,0.466,0.61,1.0,0.21811390583236243,0.4512627647179768,0.7780481118497704,0.8812795558906175,0.5821760845726818
EOS-3-50261,Fc1cc(Cl)cc(-c2nnc3cncc(-c4ccc(-c5nccs5)cn4)n23)c1,UOOMKHPRFGBNBK-UHFFFAOYSA-N,3,1,0.462,96,140,408.849,4.769,5,0.43,0.77,1.0,0.19063121102049208,0.4202933315057227,0.7479696388184497,0.8307004317730108,0.5473986532794188
EOS-3-50263,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(F)c5)cn4)n23)nc1,UAIDQEQQIZFDEF-UHFFFAOYSA-N,3,1,0.373,51,969,489.446,2.456,5,0.349,0.69,1.0,0.404967103008704,0.1451751079432527,0.2273490507847303,0.17712117058460694,0.2386531080803235
EOS-3-50264,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5F)n34)nc2)nc1,MWTZNZBHVWMFNQ-UHFFFAOYSA-N,3,1,0.296,64,449,482.429,4.79,6,0.357,0.65,0.999,0.3532485778904804,0.49610204920841616,0.7888852717428552,0.8426684257418957,0.6202260811459119
EOS-3-50265,Cn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3cncnc3-c3cccc(F)c3)n12,FDIPIVSLWIGWPL-UHFFFAOYSA-N,3,1,0.352,8,474,484.886,3.898,6,0.346,0.67,0.766,0.1458947296278528,0.30015934480159,0.3107309300253581,0.48589027482694813,0.31066881982043726
EOS-3-50266,C#CCOc1ncccc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3)n12,VMIFLXSSQUQGCQ-UHFFFAOYSA-N,3,1,0.326,61,882,408.425,2.661,5,0.413,0.71,1.0,0.2615053800287849,0.15301384415050373,0.3146117469673086,0.24328353094373245,0.2431036255225824
EOS-3-50267,Cc1cn(C)c(-c2cc(Cl)ccc2-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)n1,LMRLFDRSUITFES-UHFFFAOYSA-N,3,1,0.477,27,69,482.882,4.46,5,0.352,0.7,1.0,0.6468884929065862,0.7893393187581386,0.6559522993626208,0.5928226303885957,0.6712506853539852
EOS-3-50268,N#Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)[nH]c(=N)n2)c(F)c1,ACFXZGKJKXLZFM-UHFFFAOYSA-N,3,1,0.378,13,145,476.834,4.256,5,0.399,0.64,1.0,0.6209649784113495,0.5897299705297786,0.9344630251524912,0.9395003769446919,0.7711645877595779
EOS-3-50269,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnco5)n4)n23)c(F)c1,FOZWHEZWRSYDGM-UHFFFAOYSA-N,3,1,0.431,81,218,483.467,3.838,6,0.333,0.66,0.999,0.46501267904872867,0.4338890411897745,0.3589284490439312,0.30286649304365704,0.3901741655815229
EOS-3-50270,Cc1nc(C)c(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)s1,WMUKGHFVTOWQKK-UHFFFAOYSA-N,3,1,0.462,87,173,463.954,4.597,5,0.34,0.6,1.0,0.5022616681516003,0.5648773216366253,0.23468233842779795,0.24024227263381537,0.38551590021245974
EOS-3-50271,CC(c1ccc(F)cc1)c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,DIRSKVLMVVKSLC-UHFFFAOYSA-N,3,1,0.413,63,505,402.433,3.369,5,0.553,0.84,1.0,0.14899595641148652,0.18555102460420808,0.42872318552532385,0.47079535329997946,0.3085163799602495
EOS-3-50272,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)c(F)c5)n34)nc2)n1,PGAFBXCDDUJEMF-UHFFFAOYSA-N,3,1,0.392,41,318,478.491,4.889,6,0.348,0.71,1.0,0.6409687478582689,0.5369577136591049,0.5605253238297581,0.4888458638886985,0.5568244123089576
EOS-3-50273,Fc1cc(Cl)cnc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)cc3Cl)n12,FFFCLDQPNDDLBI-UHFFFAOYSA-N,3,1,0.506,73,325,482.306,4.711,5,0.346,0.67,1.0,0.9293228702624906,0.9303594681653073,0.717222945651429,0.795104859159756,0.8430025358097457
EOS-3-50274,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cnc2Cl)ccn1,VPLNAKILJFERAZ-UHFFFAOYSA-N,3,1,0.456,2,354,469.267,4.063,5,0.281,0.66,1.0,0.732155095606881,0.864685422520732,0.7827170858748543,0.8207713659104928,0.80008224247824
EOS-3-50275,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ncon5)c4)n23)cc1,PYYJMLWWKCGDKL-UHFFFAOYSA-N,3,1,0.653,16,232,405.805,3.469,5,0.437,0.81,1.0,0.902362757864437,0.870433829072716,0.4857874717291481,0.5382684531560551,0.6992131279555891
EOS-3-50276,Cc1cc(-c2nnc3cncc(OCc4csc(-c5ccsc5)n4)n23)ccc1Cl,PKJNRPJLGPGUEC-UHFFFAOYSA-N,3,1,0.529,4,436,439.953,5.517,5,0.361,0.73,1.0,0.5928226303885957,0.7509509286546501,0.5741895689123432,0.604627852785964,0.6306477451853882
EOS-3-50277,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)ccc2F)n1C,ZYFVUZHISGLHRZ-UHFFFAOYSA-N,3,1,0.438,80,843,485.443,2.453,6,0.342,0.66,1.0,0.4724230690151463,0.4601209649784114,0.04030738126242204,0.040333082036872046,0.25329612432321297
EOS-3-50279,Fc1ccc(-c2cccc(-c3nnc4cncc(Cc5ccc(F)c(Cl)c5)n34)c2)cc1F,FARKYRXGNJMTCN-UHFFFAOYSA-N,3,1,0.414,57,853,450.851,6.12,5,0.331,0.84,1.0,0.5484545267630732,0.8018298951408402,0.9926067438832157,0.9976355287505997,0.8351316736344322
EOS-3-50280,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)c(F)c4)n23)ccc1-c1ccc(C)nc1,ZMDATRRNGXJGPG-UHFFFAOYSA-N,3,1,0.494,13,573,460.9,5.704,5,0.334,0.78,1.0,0.7045181961483106,0.7053663217051607,0.7849273524775546,0.7693355493112193,0.7410368549105613
EOS-3-50281,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4cnn(C5CCC5)c4)n23)cc1,WMHGKVGAEKCJRY-UHFFFAOYSA-N,3,1,0.316,61,336,411.444,4.581,6,0.405,0.72,1.0,0.16804023027893908,0.24392605030498252,0.2853642656432047,0.5081214447262011,0.30136299773833186
EOS-3-50282,Cc1nc(-c2cc(COc3cncc4nnc(-c5c(F)cncc5-c5ccncc5)n34)ncn2)no1,MRJUZTKLOZREDW-UHFFFAOYSA-N,3,1,0.429,80,200,482.439,3.115,6,0.345,0.64,1.0,0.4486498526488932,0.46893633061476253,0.1957627989856761,0.19377527242820916,0.32678106366938525
EOS-3-50283,N#Cc1cncc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c2)c1,DTLROCNNGROOCP-UHFFFAOYSA-N,3,1,0.33,69,484,469.483,5.593,6,0.334,0.75,1.0,0.35557878144061406,0.5415238845863889,0.9337177026934411,0.9360993077924749,0.6917299191282298
EOS-3-50284,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5nccs5)n4)n23)ccc1Cl,UBPOGIPGJIIQNH-UHFFFAOYSA-N,3,1,0.566,34,71,473.32,5.335,5,0.343,0.77,1.0,0.8095572613254746,0.9421989582619423,0.7780566787745871,0.8516893975738469,0.8453755739839628
EOS-3-50285,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)nc1F,WDYKCWFPGZGEEZ-UHFFFAOYSA-N,3,1,0.419,46,223,471.83,4.237,5,0.282,0.66,0.999,0.7292337742443973,0.7236995408128298,0.9115293674182715,0.9084367075594545,0.8182248475087384
EOS-3-50286,Clc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)nc1,KFGPTFKMTZGSIS-UHFFFAOYSA-N,3,1,0.494,41,174,467.876,5.349,6,0.334,0.65,1.0,0.7987201014323898,0.7974950311836063,0.7330117880885477,0.72511308340758,0.763585001028031
EOS-3-50287,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5-c5cnco5)n34)cn2)ncn1,KNLFQNAIKUYSLQ-UHFFFAOYSA-N,3,1,0.423,28,297,480.463,4.325,6,0.343,0.63,1.0,0.8422143787266123,0.70032896991296,0.6057929545610308,0.52491261736687,0.6683122301418682
EOS-3-50288,Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc(-c2cnc(Cl)cn2)n1,NJDGOGBMVRZKQE-UHFFFAOYSA-N,3,1,0.483,7,486,470.345,4.899,5,0.361,0.62,1.0,0.6154478788294154,0.6660270029470221,0.5372832568021383,0.5896700020560619,0.6021070351586594
EOS-3-50289,Fc1cnc(F)c(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4F)n23)c1,BZUJVKTUDFMFOT-UHFFFAOYSA-N,3,1,0.461,68,255,426.28,3.596,4,0.367,0.49,1.0,0.8976081145911864,0.8760023302035501,0.9871667466246317,0.967043040230279,0.9319550579124118
EOS-3-50290,Cc1ccc(-c2nnc3cncc(-c4cccnc4OCCc4ccc(Cl)c(Cl)c4)n23)cn1,KGCSZPRQFVLWRR-UHFFFAOYSA-N,3,1,0.56,96,360,477.355,5.485,5,0.322,0.82,1.0,0.680599342060174,0.7189705983140292,0.8211140429031595,0.8188352409019258,0.7598798060448222
EOS-3-50291,COc1ccc2sc(-c3cncc4nnc(-c5ccc(-c6cccc(F)n6)cn5)n34)nc2c1,QOUNAKAZZDPITN-UHFFFAOYSA-N,3,1,0.312,32,387,455.478,4.673,6,0.357,0.56,0.975,0.34182886710986227,0.44707353848262626,0.46487560825166196,0.46771126036597904,0.43037231855253233
EOS-3-50292,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cncc(C)n1,HTQVTQAJEKUMIZ-UHFFFAOYSA-N,3,1,0.394,13,971,461.888,5.099,5,0.359,0.61,0.762,0.5613049139880748,0.6367795216229183,0.557329860873141,0.5771794256733603,0.5831484305393736
EOS-3-50293,Cn1cncc1-c1cnc(-c2cncc3nnc(-c4cccc(Cl)c4F)n23)nn1,XBVGXSRQSWQNGB-UHFFFAOYSA-N,3,1,0.36,50,844,407.8,2.836,5,0.453,0.65,1.0,0.22350250154204646,0.37797272291138373,0.38169933520663424,0.5183846206565691,0.3753897950791584
EOS-3-50294,c1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)cn2)[nH]1,FVESALLLMHBZMH-UHFFFAOYSA-N,3,1,0.312,42,725,407.397,3.293,6,0.472,0.66,1.0,0.13787608799945172,0.10437084504146392,0.40011822356247,0.3951237063943527,0.2593722157494346
EOS-3-50295,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cnc2Cl)s1,BHBZMSKZAGJYBA-UHFFFAOYSA-N,3,1,0.506,4,875,471.333,4.294,5,0.35,0.62,1.0,0.4463624837228429,0.6562692755808375,0.29987663628264,0.4204818038516894,0.4557475498595024
EOS-3-50296,Cc1cc(-c2cncc(-c3nnc4cncc(Oc5c(Cl)cc(F)cc5Cl)n34)c2)n(C)n1,DOYHRGSLPOWAGR-UHFFFAOYSA-N,3,1,0.43,13,724,470.295,5.133,5,0.362,0.64,1.0,0.45343876362141045,0.5415324515112055,0.8355835789185114,0.8444674799533959,0.6687555685011308
EOS-3-50297,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cc2)s1,CGSVFJQEEBXGFL-UHFFFAOYSA-N,3,1,0.557,1,528,435.459,5.953,5,0.341,0.83,1.0,0.8869165924199849,0.8252347337399767,0.9076742512507711,0.8618069357823316,0.8704081282982661
EOS-3-50298,Fc1cc(-c2nnc3cncc(OCCc4c(Cl)ncc(F)c4F)n23)ccc1-c1cc[nH]n1,DGTSXQXZDYUCSN-UHFFFAOYSA-N,3,1,0.522,88,919,471.83,4.269,5,0.372,0.51,1.0,0.9491124665889932,0.9289973271194572,0.8989531217874032,0.912908642313755,0.922492889452402
EOS-3-50299,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c(F)c2)c(F)c1,WOJBJZRAKAYXLZ-UHFFFAOYSA-N,3,1,0.447,57,417,453.811,5.716,5,0.348,0.7,1.0,0.9023713247892536,0.9592728394215613,0.9761839490096635,0.9829775203892811,0.9552014084024398
EOS-3-50300,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc(Cl)n2)nc1,DYQOLZPELDPBBF-UHFFFAOYSA-N,3,1,0.457,58,132,483.294,4.106,5,0.333,0.62,0.983,0.8146631485162086,0.8618155027071482,0.5439397573846891,0.657237338085121,0.7194139366732918
EOS-3-50301,Fc1cc(F)cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,QKDWUOCQZOADJY-UHFFFAOYSA-N,3,1,0.833,23,86,404.779,4.484,4,0.492,0.85,1.0,0.9824549379754643,0.990353642656432,0.9815639777945309,0.9880063052566651,0.9855947159207731
EOS-3-50302,COc1nc(-c2ccc(Cl)nc2)ccc1-c1nnc2cncc(OCCc3cnccc3C)n12,HRBFEMFHBCPXMQ-UHFFFAOYSA-N,3,1,0.457,35,710,473.924,4.235,5,0.324,0.59,1.0,0.6713984648070729,0.6084744020286478,0.4579878006990611,0.3731666780892331,0.5277568364060037
EOS-3-50303,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)nn1,BLQWBAXDAJYJJB-UHFFFAOYSA-N,3,1,0.372,67,622,482.895,3.885,6,0.36,0.62,0.996,0.5839215955040779,0.5462956617092728,0.29264615173737235,0.3028750599684737,0.4314346172297992
EOS-3-50304,Fc1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)n2)cn1,OEUQTCSLQKVBJZ-UHFFFAOYSA-N,3,1,0.412,7,94,469.362,3.228,5,0.273,0.61,1.0,0.707730792954561,0.7893478856829552,0.6914879035021588,0.620099719004866,0.7021665752861352
EOS-3-50305,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccc(F)c(Cl)c6)n5)n34)cc2)nc1,PPVCOXWMQWOLHI-UHFFFAOYSA-N,3,1,0.325,3,635,487.861,4.428,6,0.362,0.73,1.0,0.10320574326639709,0.33432424097046126,0.7095212802412446,0.7858097457336715,0.4832152525529436
EOS-3-50306,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5cccs5)cn4)n23)c1,RMWAKWYRAKYRMR-UHFFFAOYSA-N,3,1,0.39,32,20,450.502,5.783,6,0.34,0.75,0.998,0.27210266602700295,0.4157956959769721,0.7330203550133644,0.7904701528339387,0.5528472174628195
EOS-3-50307,Fc1nc(C(F)F)ccc1-c1cc(-c2nnc3cncc(OCc4ccns4)n23)ncn1,GLUQZIDRNYARIP-UHFFFAOYSA-N,3,1,0.426,46,395,456.413,3.756,5,0.356,0.51,0.979,0.5809574395175108,0.5187015968747858,0.6383558357891851,0.5645003769446919,0.5756288122815434
EOS-3-50308,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5nnc(OC)s5)nn4)n23)cc1,KCYZSBXCSPQCFZ-UHFFFAOYSA-N,3,1,0.457,89,926,489.521,2.437,5,0.345,0.73,0.999,0.3440991021862792,0.1530224110753204,0.02545233363032006,0.006904941402234254,0.1323696970735385
EOS-3-50309,Cc1cc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)cc(-c2cnc(F)c(F)c2)n1,XSHOUWBSSCZUGL-UHFFFAOYSA-N,3,1,0.452,59,89,467.386,4.087,5,0.284,0.62,1.0,0.8017356589678569,0.785278596395038,0.9180402302789391,0.8882016311424851,0.8483140291960798
EOS-3-50310,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCc3ncn(-c4cnn(C)c4)n3)n12,QSUNKXHRBTVILA-UHFFFAOYSA-N,3,1,0.379,36,614,484.484,1.489,6,0.327,0.65,1.0,0.129874580220684,0.1202881913508327,0.05003084092934,0.02084332807895278,0.08025923514495237
EOS-3-50311,Cc1cnc(C)c(-c2cncc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)n1,ZHNISPHSFKCWIG-UHFFFAOYSA-N,3,1,0.45,87,858,476.903,4.069,5,0.361,0.54,0.997,0.6744054554177232,0.685473922280858,0.40012679048728667,0.4040675759029539,0.5410184360222055
EOS-3-50312,CCc1nc(-c2nnc3cncc(OCc4cc(C)nc(C)c4F)n23)ccc1-c1cccc(C)n1,DOWSOAKWMRTCIF-UHFFFAOYSA-N,3,1,0.402,44,690,469.524,4.849,5,0.351,0.62,0.998,0.6012182167089302,0.4961106161332328,0.3589370159687479,0.24025083955863202,0.4241291720923857
EOS-3-50313,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cc1,SVVVYRDQMCONSE-UHFFFAOYSA-N,3,1,0.392,93,68,448.917,5.964,6,0.333,0.78,1.0,0.05665307381262422,0.30510246042080735,0.8861027345624015,0.9226835035295731,0.5426354430813516
EOS-3-50314,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(O)CC5(C)C)cc4)n23)cc1,WFHSXMCAFRVDIL-UHFFFAOYSA-N,3,1,0.343,0,901,484.56,3.193,5,0.46,0.6,1.0,0.2152439860187787,0.052686587622507025,0.12961757247618394,0.12754437667055035,0.131273130697005
EOS-3-50315,Cn1cnc(-c2cc(F)nc(-c3nnc4cncc(OCc5cccs5)n34)c2)n1,SZBBLZWCJMIMDN-UHFFFAOYSA-N,3,1,0.529,31,185,408.422,2.761,5,0.413,0.7,0.744,0.3509612089644301,0.40171167157837023,0.16632684531560551,0.1612466588993215,0.2700615961894318
EOS-3-50316,O=c1cc(-c2ncc(CO)cn2)cc(-c2nnc3cncc(OCCc4cncnn4)n23)[nH]1,FVMKOGCSRKQSRY-UHFFFAOYSA-N,3,1,0.371,65,779,444.415,0.235,5,0.352,0.52,0.478,0.3016328558700569,0.07525186758961003,0.061441984785141526,0.05206976903570694,0.12259911932012885
EOS-3-50317,Fc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccsc5)c4)n23)c(F)cn1,IHQASDDDGDLALL-UHFFFAOYSA-N,3,1,0.471,55,577,456.865,4.82,5,0.353,0.58,1.0,0.8350095949557946,0.8135751490644918,0.8786666438215338,0.8856401206223015,0.8532228771160304
EOS-3-50318,Clc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)[nH]2)c1,KYYPTZBJKVULGE-UHFFFAOYSA-N,3,1,0.37,3,774,455.934,5.625,6,0.372,0.7,1.0,0.17613597423069016,0.3635031868960318,0.6914964704269755,0.814757384689192,0.5114732540607223
EOS-3-50319,CCn1nc(-c2nc(=O)nc(C)[nH]2)cc1-c1cncc2nnc(-c3ccc(-c4ncccn4)cn3)n12,QXWCKLZCBUMHCP-UHFFFAOYSA-N,3,1,0.233,86,652,478.48,1.98,6,0.388,0.5,0.274,0.04992803783153999,0.026574600781303543,0.016996778836268933,0.011308340758001507,0.026201939551778495
EOS-3-50320,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cnccn1,MVDWDOKKKJPVTA-UHFFFAOYSA-N,3,1,0.436,31,690,463.954,4.542,5,0.35,0.57,0.925,0.6041909396203139,0.6464515797409361,0.2166232609142622,0.2519703927078336,0.42980904324583646
EOS-3-50321,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(-c6cccnn6)n5)n34)cc2)s1,OFGQYLIFWUEWOZ-UHFFFAOYSA-N,3,1,0.436,40,2,479.529,4.049,6,0.349,0.62,1.0,0.4370331025974916,0.3919882119114523,0.19920670276197655,0.16636967993968885,0.2986494243026523
EOS-3-50322,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)cn5)c4)n23)c(F)c1F,JSRLZRFUSDBACD-UHFFFAOYSA-N,3,1,0.523,57,13,467.838,5.503,5,0.319,0.74,1.0,0.9507401823041601,0.9481272702350764,0.9812555685011308,0.9833030635323144,0.9658565211431703
EOS-3-50323,N#Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncnc5)c4)n23)cc1,YAJFOHABGNJDFD-UHFFFAOYSA-N,3,1,0.506,89,731,406.409,3.094,5,0.437,0.73,1.0,0.8959204304023027,0.7423754369131657,0.7019652525529436,0.640394763895552,0.745163970940991
EOS-3-50324,Cc1cc(OCc2cncc3nnc(-c4cncc(-c5ccc(F)s5)c4)n23)ccc1Cl,LEXOHDPTHMZASR-UHFFFAOYSA-N,3,1,0.39,14,189,451.914,5.595,5,0.348,0.71,1.0,0.5329912274689877,0.5742495373860599,0.8930847782879857,0.8922623535055856,0.7231469741621548
EOS-3-50326,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cncc(C(F)F)c5)n34)nc2)no1,BHHZAFQVBBFSJK-UHFFFAOYSA-N,3,1,0.313,50,243,406.356,3.544,5,0.446,0.77,1.0,0.26420396134603524,0.310268316085258,0.5605338907545747,0.515163456925502,0.41254240627784255
EOS-3-50327,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)nc2Cl)nc1,GBVZDXZWDRUXPR-UHFFFAOYSA-N,3,1,0.416,46,775,457.306,3.986,5,0.365,0.5,1.0,0.6041995065451305,0.564885888561442,0.2595606880954013,0.382633130011651,0.4528198033034062
EOS-3-50328,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6ccc(Cl)nn6)n5)n34)cc2)nn1,HNLUCKLBPBDASA-UHFFFAOYSA-N,3,1,0.312,98,973,489.29,2.988,6,0.363,0.7,0.744,0.04542183537797272,0.2234939346172298,0.1154735796038654,0.269883832499486,0.16356829552463847
EOS-3-50329,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)cn2)nc1,VVSPLMRGCDYHSA-UHFFFAOYSA-N,3,1,0.386,45,575,405.343,3.728,5,0.455,0.78,1.0,0.4162583099170722,0.6708330477691727,0.8693629634706326,0.8965372489891029,0.7132478925364951
EOS-3-50330,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnnn6C)c(F)c5)n34)n2)nn1,WCMPRHUXIBOPDN-UHFFFAOYSA-N,3,1,0.489,71,415,483.471,2.495,6,0.351,0.58,0.999,0.4029967103008704,0.4512713316427935,0.22028133781097936,0.20221369337262696,0.3191907682818176
EOS-3-50331,CCn1cnnc1-c1cc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cs1,AXVUXQUIVDKOKP-UHFFFAOYSA-N,3,1,0.435,36,908,423.889,4.577,5,0.411,0.55,1.0,0.3603676924131314,0.4017202385031869,0.2667911726406689,0.3795233363032006,0.35210060996504694
EOS-3-50332,c1cnc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cn1,IKRRDBNULRZWHU-UHFFFAOYSA-N,3,1,0.299,8,927,409.377,1.009,6,0.446,0.62,1.0,0.010837159893084779,0.024304365704886574,0.01869302994996916,0.02399595641148653,0.01945762798985676
EOS-3-50333,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5c(F)cnc(F)c5F)n34)c2)cc(C)n1,LLRKOTOHYZEJGD-UHFFFAOYSA-N,3,1,0.474,2,884,477.45,4.299,5,0.337,0.62,1.0,0.7500599684737167,0.7767116715783702,0.8077839078884244,0.7276488931533137,0.7655511102734563
EOS-3-50334,Cc1cccc(-c2nc(C)sc2-c2nnc3cncc(-c4ncc(-c5ncc(F)cn5)cn4)n23)n1,SLFCWKGUFREQPJ-UHFFFAOYSA-N,3,1,0.281,86,459,482.508,3.98,6,0.367,0.59,0.966,0.1404118977451854,0.2034301966965938,0.05571071208279076,0.06883524090192585,0.11709701185662394
EOS-3-50335,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(-c5nncn5C)c4)n23)nc1,WEBZUDWTQYSYKQ-UHFFFAOYSA-N,3,1,0.402,67,318,484.911,3.828,6,0.362,0.68,1.0,0.479910561304914,0.6181807278459325,0.3146203138921253,0.31555410869714207,0.4320664279350285
EOS-3-50336,O=C(Oc1ccc(-c2nnc3cncc(CCc4ccccn4)n23)cc1)c1c(F)cccc1Cl,SWSYVOXJZPOTTF-UHFFFAOYSA-N,3,1,0.494,79,886,473.895,4.983,5,0.255,0.86,1.0,0.6955743266397094,0.7189791652388459,0.7355647316839148,0.7489462682475498,0.7247661229525051
EOS-3-50337,Clc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ncco5)c4)n23)s1,FNDLYWWUPGFDDE-UHFFFAOYSA-N,3,1,0.554,4,31,444.303,5.394,5,0.362,0.66,1.0,0.7761805222397368,0.8866338839010349,0.7803868823247208,0.8327393598793777,0.8189851620862176
EOS-3-50338,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)s2)s1,OGOFEOMLIWQRFF-UHFFFAOYSA-N,3,1,0.311,38,787,445.558,5.162,6,0.373,0.56,1.0,0.14590329655266945,0.18976595161400864,0.3036032485778905,0.3438934959906792,0.24579149818381196
EOS-3-50339,Fc1cnnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)c1,KRCNPNLHSCBEBY-UHFFFAOYSA-N,3,1,0.523,4,390,434.822,3.41,5,0.387,0.4,1.0,0.612672195188815,0.8428483311630457,0.6236978274278665,0.6489873894866699,0.6820514358165993
EOS-3-50340,Cn1cc(-c2cncc(-c3ccc(-c4nnc5cncc(Cl)n45)cc3F)c2)nn1,UQDPRVQVTIRUPB-UHFFFAOYSA-N,3,1,0.536,50,859,406.812,3.441,5,0.456,0.71,1.0,0.17614454115550682,0.26922417928860254,0.6968679322870263,0.7566050990336509,0.4747104379411966
EOS-3-50341,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4cc(-c5cccnc5)ccc4F)n23)c1,PUUAJZVGRSFKHO-UHFFFAOYSA-N,3,1,0.518,59,13,451.383,4.989,5,0.278,0.72,1.0,0.9266157220204235,0.9218353779727229,0.9839284490439312,0.9840312521417311,0.9541027002947022
EOS-3-50342,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)c(F)n1,WAUSGAFWZVSJPO-UHFFFAOYSA-N,3,1,0.443,27,354,468.374,3.833,5,0.274,0.64,0.998,0.7819460626413542,0.8527088616270304,0.8680008224247824,0.7994568569666233,0.8255281509149476
EOS-3-50343,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ncn4)n23)c(Cl)c1,PBWPRMWWEACXMH-UHFFFAOYSA-N,3,1,0.541,44,130,481.318,5.316,5,0.327,0.79,1.0,0.9102443286957713,0.9236258652594065,0.9034593242409704,0.9395089438695086,0.9192096155164142
EOS-3-50344,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)n5C)n34)cc(C)n2)nc1,QYUFWMZUNXLFAN-UHFFFAOYSA-N,3,1,0.467,58,661,477.931,4.618,5,0.355,0.66,1.0,0.6154564457542321,0.5604996230553081,0.6177438146802824,0.5612877801384415,0.588746915907066
EOS-3-50345,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4-c4cccc(F)c4)n23)nc1,RPKOVBBPTQWAED-UHFFFAOYSA-N,3,1,0.354,3,192,482.91,5.108,6,0.347,0.75,1.0,0.23175245014049756,0.4819666232609143,0.7406020834761154,0.8265797409361936,0.5702252244534302
EOS-3-50346,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)cnn2)[nH]c1F,OEWKPWITIXDJDU-UHFFFAOYSA-N,3,1,0.412,65,779,418.396,1.83,5,0.438,0.47,0.999,0.5147179768350353,0.48657562881228156,0.05571927900760743,0.05332054005894044,0.2775833561784662
EOS-3-50347,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)nc2)n[nH]1,YYCVJKDAMIDUPH-UHFFFAOYSA-N,3,1,0.25,86,812,409.373,2.083,6,0.458,0.59,1.0,0.18779555890617505,0.13065417037900076,0.087579672400795,0.09264272496744569,0.12466803166335412
EOS-3-50348,Cc1cnc(-c2cc(-c3nnc4cncc(OC5CCC(F)CC5)n34)cnn2)nc1,IQOSQFXFOIOBIZ-UHFFFAOYSA-N,3,1,0.381,78,792,406.425,3.006,5,0.509,0.65,1.0,0.4971472140360496,0.5187101637996024,0.027628332533753682,0.11863477486121582,0.2905301213076554
EOS-3-50349,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5nncs5)n4)n23)ccc1F,FFDNLNDULNFXBI-UHFFFAOYSA-N,3,1,0.464,81,218,486.496,3.218,6,0.349,0.67,0.77,0.39449832088273595,0.532288739634021,0.23469090535261464,0.2402594064834487,0.3504343430882051
EOS-3-50350,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)ccc2F)o1,ZNWGUHXBDXJGBU-UHFFFAOYSA-N,3,1,0.625,88,222,467.863,5.308,5,0.337,0.68,1.0,0.9726201082859297,0.9523507641696937,0.922966212048523,0.9162668768418888,0.9410509903365087
EOS-3-50351,Fc1cc(-c2ccccc2Cl)cnc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)cc3)n12,JQERXZGWCPONNX-UHFFFAOYSA-N,3,1,0.341,3,192,467.895,5.703,6,0.359,0.75,0.988,0.2828455897471044,0.442464532931259,0.8748457953533,0.9129172092385717,0.6282682818175588
EOS-3-50352,Cc1cccc(NC(=O)c2ccc(-c3nnc4cncc(OCc5ccc(C(F)F)nc5)n34)cc2)c1,OTSWXEVSHIDNRQ-UHFFFAOYSA-N,3,1,0.58,1,230,486.482,5.264,5,0.337,0.9,1.0,0.6497926804194366,0.2439346172297992,0.8636573915427318,0.7006887807552601,0.6145183674868069
EOS-3-50353,Fc1cccc(COc2ccccc2-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c1,UGVUGLBZKQYLLV-UHFFFAOYSA-N,3,1,0.472,83,480,448.86,5.969,5,0.332,0.82,1.0,0.7200414639161127,0.908265369063121,0.9781886094167638,0.985247755465698,0.897935799465424
EOS-3-50354,Fc1ccncc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccncn5)n4)n23)c(F)c1,XTJFQMHNGNUNCX-UHFFFAOYSA-N,3,1,0.408,73,975,484.43,3.081,6,0.351,0.61,0.997,0.3147745185388253,0.43389760811459116,0.48579603865396476,0.5081300116510178,0.4356495442395998
EOS-3-50355,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(C)(O)CC5)c(F)c4)n23)cn1,RBLCSKQDNROLEA-UHFFFAOYSA-N,3,1,0.324,0,21,489.511,2.339,5,0.451,0.69,0.993,0.16546158590912205,0.15680899184428757,0.016285724076485503,0.04810328284558975,0.09666489616887121
EOS-3-50356,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cncnc3-c3cnc(Cl)cn3)n12,VXZIFSNABPRXFW-UHFFFAOYSA-N,3,1,0.432,65,324,484.282,3.501,5,0.357,0.59,0.804,0.764752244534302,0.7893564526077719,0.5203892810636694,0.6226954972243164,0.6742983688575148
EOS-3-50357,Cn1nc(-c2cccc(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)n2)nc1C1CC1,KNCBNBLLNXSSMB-UHFFFAOYSA-N,3,1,0.257,76,880,473.504,3.378,7,0.37,0.52,0.725,0.060148379137824684,0.011453978479884861,0.005311493386334042,0.019267013912685902,0.02404521622918237
EOS-3-50358,Cc1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1ncccc1F,WXDOECNBUPAZNA-UHFFFAOYSA-N,3,1,0.385,13,724,468.826,5.42,5,0.35,0.66,1.0,0.7732163662531698,0.8393958604619286,0.9105184702899047,0.9172606401206223,0.8600978342814063
EOS-3-50359,Cc1cc(-c2cnc(-c3nnc4cncc(OCc5cnc(C(F)(F)F)cn5)n34)cc2F)n[nH]1,YLNQYJSZPAVAPO-UHFFFAOYSA-N,3,1,0.381,7,127,471.378,3.412,5,0.387,0.47,1.0,0.5753118360633267,0.5944332122541293,0.8450842985401961,0.692387430607909,0.6768041943663903
EOS-3-50360,COc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nc(C)nn5C)s4)n23)cc1,GFOZOSHFWJFWQI-UHFFFAOYSA-N,3,1,0.349,76,176,481.545,4.089,6,0.362,0.61,0.961,0.0837245562332945,0.06031971763415804,0.07388115961894319,0.06529710095264205,0.07080563360975944
EOS-3-50361,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccc5)n4)n23)cc1,NOFFWCRYODZCQX-UHFFFAOYSA-N,3,1,0.365,93,651,440.51,5.891,6,0.342,0.76,1.0,0.20154547323692687,0.1415769995202522,0.722560139812213,0.7360273456240148,0.45042748954835177
EOS-3-50362,COCc1ncc(-c2cncc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)c2)cn1,CTSMFCIXXYFQSQ-UHFFFAOYSA-N,3,1,0.43,2,419,478.875,3.556,5,0.324,0.58,1.0,0.6266534164896169,0.6224384894798163,0.6206651360427661,0.5645089438695086,0.6085664964704269
EOS-3-50363,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nncn6C)cc5F)n34)nn2)n1,PIDMIHDRVBBBCZ-UHFFFAOYSA-N,3,1,0.357,67,789,483.471,3.017,6,0.364,0.6,1.0,0.472431635939963,0.48197519018573093,0.13542594750188472,0.11642450825851552,0.30156432047152354
EOS-3-50364,COc1cc(-c2nncc(C)n2)cc(F)c1-c1nnc2cncc(OCCc3cnccc3F)n12,ACJKULNKRMCKIR-UHFFFAOYSA-N,3,1,0.484,37,619,476.447,3.255,5,0.349,0.5,1.0,0.7586954286889178,0.6084829689534644,0.4750702487834967,0.4013432938112535,0.560897985059283
EOS-3-50365,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)cnc5Cl)n34)cn2)s1,QJLTZJAOZUQKHA-UHFFFAOYSA-N,3,1,0.424,55,85,471.333,4.294,5,0.374,0.59,0.934,0.5281080803234871,0.6854824892056748,0.2526129120690837,0.32787334658351036,0.448519207045439
EOS-3-50366,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1sccc1Cl,FZVXMMRVYVXTHX-UHFFFAOYSA-N,3,1,0.562,73,335,473.32,5.335,5,0.343,0.74,1.0,0.959666917963128,0.9601895003769447,0.6831951202796245,0.8168819820437255,0.8549833801658556
EOS-3-50367,Fc1nc(Cl)ccc1-c1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)ncn1,VXPQLLSJFCMEMD-UHFFFAOYSA-N,3,1,0.386,18,194,484.282,3.501,5,0.334,0.63,0.831,0.6806079089849908,0.6755020217942568,0.37022822287711604,0.4918528544993489,0.5545477520389281
EOS-3-50368,Cc1cnc(-c2cnc(F)c(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)c(C)n1,UKJXYTIUBUCXHM-UHFFFAOYSA-N,3,1,0.427,27,69,478.438,4.311,5,0.333,0.63,0.999,0.7959615516414228,0.797503598108423,0.7095298471660613,0.5709427044068262,0.7184844253306834
EOS-3-50369,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnc(CO)c(Cl)c5)c4)n23)cc1,QBSNDBGWFBTSAT-UHFFFAOYSA-N,3,1,0.33,52,246,486.923,3.077,6,0.378,0.69,1.0,0.0957782194503461,0.16847714344458914,0.2667997395654856,0.35037009115208007,0.22035629840312523
EOS-3-50370,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(C(F)(F)F)cn4)n23)nc1,YMZULDQMQGRKIG-UHFFFAOYSA-N,3,1,0.443,20,279,485.405,3.156,5,0.338,0.65,1.0,0.6320848468233843,0.6084915358782811,0.7095384140908779,0.5382770200808717,0.6220979542183538
EOS-3-50371,C#Cc1ncc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)cn4)n23)cn1,BKEKDOQKRNNRFS-UHFFFAOYSA-N,3,1,0.396,92,535,410.401,1.332,5,0.395,0.62,1.0,0.2721112329518196,0.15681755876910425,0.12138475772736619,0.07051435816599273,0.1552069769035707
EOS-3-50372,Cc1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc(-c2ccc(Cl)nc2)n1,OWLCLZPPJMFSDF-UHFFFAOYSA-N,3,1,0.489,35,265,479.878,4.505,5,0.331,0.64,1.0,0.9071945034610376,0.9142279487355219,0.82478925364951,0.8168905489685423,0.8657755637036528
EOS-3-50373,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)nn1,DBVJSNTVQYGBHV-UHFFFAOYSA-N,3,1,0.337,3,668,484.445,5.12,6,0.345,0.77,1.0,0.019215612363785894,0.1897745185388253,0.9337262696182578,0.8840638064560346,0.5066950517442259
EOS-3-50374,Cc1ncc(-c2ncoc2-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cc4)n23)cn1,FUNPODWFGUKLDN-UHFFFAOYSA-N,3,1,0.37,69,696,465.904,5.532,6,0.337,0.7,1.0,0.34410766911109586,0.4645843328078953,0.6777893907203071,0.7332430950585977,0.554931121924474
EOS-3-50375,Cc1nccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)nc2)c1F,GYJARYUCILQNAW-UHFFFAOYSA-N,3,1,0.522,27,969,482.401,4.084,5,0.345,0.65,1.0,0.9086508806798711,0.9012404907134535,0.9142022479610719,0.792757521759989,0.8792127852785963
EOS-3-50376,COCc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cn2)c(C)s1,HVVWMSQFQKTTEZ-UHFFFAOYSA-N,3,1,0.447,55,283,479.953,4.392,5,0.339,0.67,1.0,0.5281166472483038,0.5648944554862586,0.2311013638544308,0.23747515591803167,0.3903969056267562
EOS-3-50377,Cc1ccc(-c2nnc3cncc(-c4nc(-c5cnc(F)c(F)c5)nn4C)n23)nn1,BYAYDNVRAJDRSG-UHFFFAOYSA-N,3,1,0.299,50,542,406.36,2.025,5,0.418,0.75,0.082,0.09105784387636214,0.2131108217394284,0.09012404907134534,0.13402953875676787,0.13208056336097596
EOS-3-50378,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)c(F)c1F,MUIXMUHLEANXIW-UHFFFAOYSA-N,3,1,0.43,44,488,469.814,4.293,5,0.28,0.66,0.881,0.8376225070248784,0.8557501199369474,0.9377698581317251,0.9377784250565417,0.8922302275375231
EOS-3-50379,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)s2)cs1,BYPLRLHLVNDWAT-UHFFFAOYSA-N,3,1,0.33,85,60,440.504,5.208,5,0.375,0.59,0.986,0.1517202385031869,0.2332602289082311,0.6115499280378316,0.5806747309985607,0.39430128161195255
EOS-3-50380,Fc1cccc(-c2nncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)c1Cl,BQFHKOOPIOCWBF-UHFFFAOYSA-N,3,1,0.313,3,186,480.894,5.165,6,0.343,0.7,1.0,0.34659207730792957,0.5006510862860668,0.7527242820917004,0.8307089986978274,0.6076691110958811
EOS-3-50381,N=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)s1,LCXFSZRFNWZMKW-UHFFFAOYSA-N,3,1,0.524,65,393,417.458,2.134,5,0.433,0.58,1.0,0.4231889520937564,0.31542560482489207,0.12397196902199986,0.09461311767527929,0.23929991090398187
EOS-3-50382,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(Cl)ccc4-n4cccn4)n23)cc1,HWWKEUVTUYMYLD-UHFFFAOYSA-N,3,1,0.446,56,415,484.911,3.4,6,0.33,0.67,1.0,0.3878846549242684,0.40172880542800354,0.2452367898019327,0.2610513330135015,0.3239753957919266
EOS-3-50383,c1ccc(-c2ncsc2-c2cncc3nnc(-c4ccccc4-c4cccnc4)n23)cc1,BOUAEKJJSIGISK-UHFFFAOYSA-N,3,1,0.329,69,220,432.512,5.644,6,0.36,0.7,1.0,0.054751216503323964,0.12029675827564937,0.5542629017887739,0.6461603042971695,0.3438677952162292
EOS-3-50384,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccsc4-c4ccccc4)n23)c1,OCIYIJGSAZCUSV-UHFFFAOYSA-N,3,1,0.342,64,365,450.502,5.783,6,0.34,0.76,1.0,0.16547015283393873,0.2588839010348845,0.6262079363991502,0.7463847577273662,0.4492366869988349
EOS-3-50385,Clc1ccc(-c2nnc3cncc(-c4nc(-c5ccsc5)ns4)n23)cc1Br,CRNNBMIERAEAEV-UHFFFAOYSA-N,3,1,0.388,50,575,475.784,5.454,5,0.347,0.77,1.0,0.30436570488657394,0.4689448975395792,0.45457816462202727,0.6546501267904873,0.47063472345966695
EOS-3-50386,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccc5-c5ccccc5)n34)cn2)cc1,COCYJYSUROVTND-UHFFFAOYSA-N,3,1,0.488,12,47,456.509,5.494,6,0.33,0.72,1.0,0.43227845932424097,0.3966914536358029,0.6640823110136386,0.6747995339592899,0.541962939483243
EOS-3-50387,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,JSSAVESOSCZHIP-UHFFFAOYSA-N,3,1,0.39,61,917,405.372,2.981,5,0.453,0.76,1.0,0.1821413885271743,0.2743472003289699,0.5135357412103352,0.4980895757658831,0.3670284764580906
EOS-3-50388,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)nc5)n34)nc2)c1,YNUWTJUSKVZZAY-UHFFFAOYSA-N,3,1,0.392,93,93,462.463,5.861,6,0.328,0.78,1.0,0.28546706874100475,0.47332259612089644,0.9238229045301899,0.9435610993077925,0.6565434171749709
EOS-3-50389,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc(Cl)n2)nc1,QFRMZKXQHKZSGB-UHFFFAOYSA-N,3,1,0.518,73,930,474.308,4.73,5,0.34,0.63,0.998,0.7013313001165101,0.7893650195325885,0.6115584949626482,0.7091015009252278,0.7028390788842437
EOS-3-50390,Cc1nccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nc2)n1,HSLYWOWZQPNQCN-UHFFFAOYSA-N,3,1,0.426,41,492,475.487,5.55,6,0.323,0.77,1.0,0.8198975395791926,0.7683246521828524,0.7780652456994037,0.7360359125488315,0.77558083750257
EOS-3-50391,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4nc(-c5cccc(F)c5F)nn4C)n23)cn1,ZGWSYITULLBSBM-UHFFFAOYSA-N,3,1,0.346,6,314,486.446,3.453,6,0.364,0.67,0.999,0.4393461722979919,0.41117812350078814,0.33310773764649443,0.3185696662326091,0.3755504249194709
EOS-3-50392,OCCc1cncc(COc2cncc3nnc(-c4cc(-c5ncccc5F)cnc4Cl)n23)n1,SGNFLFPTYOMATH-UHFFFAOYSA-N,3,1,0.414,7,94,478.875,2.945,5,0.351,0.56,1.0,0.4415393050510589,0.5094493180727846,0.3742289767664999,0.4235401960112398,0.4371894489753958
EOS-3-50393,Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)cc5)n34)cn2)cn1,ASQSYTUCHRQANA-UHFFFAOYSA-N,3,1,0.353,93,68,463.932,5.668,6,0.337,0.73,1.0,0.016448495648002194,0.21813103968199576,0.8321739428414776,0.8566325131930642,0.480846497841135
EOS-3-50394,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Oc5nncs5)nc4)n23)ccn1,YQTCVJQELCVIFM-UHFFFAOYSA-N,3,1,0.495,6,597,484.505,3.205,6,0.333,0.69,1.0,0.3488623123843465,0.13420087725310123,0.18569666232609142,0.10484202590638064,0.19340046946747996
EOS-3-50395,COc1cccc(-c2cccc(-c3cncc4nnc(-c5cnc(C)cc5-c5cccnc5)n34)n2)c1,BGRAAVSJBAFBGQ-UHFFFAOYSA-N,3,1,0.308,32,20,471.524,5.294,6,0.337,0.66,1.0,0.209949626482078,0.127475841272017,0.6445325885820026,0.5709512713316428,0.3882273319169351
EOS-3-50396,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3)n12,BBPHXTWJLPZWTK-UHFFFAOYSA-N,3,1,0.317,39,854,484.886,3.898,6,0.346,0.65,0.838,0.12988314714550064,0.26923274621341925,0.16947947364813926,0.3600335823452813,0.23215723733808513
EOS-3-50398,CCc1nc(-c2ccccc2)c(-c2cncc3nnc(-c4ccc(C)nc4)n23)n1CC,FLGOJEIUVOLVFW-UHFFFAOYSA-N,3,1,0.354,52,336,409.497,4.608,5,0.424,0.83,0.997,0.12989171407031733,0.08566068124186142,0.07388972654375985,0.09655780960866288,0.09649998286615037
EOS-3-50399,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cnoc6)ncn5)n34)cn2)cn1,FHRMZUROPGIRHG-UHFFFAOYSA-N,3,1,0.427,6,414,479.46,3.281,6,0.333,0.59,1.0,0.3786837776711672,0.2640240559248852,0.340055513672812,0.21126893290384482,0.2985080700431773
EOS-3-50400,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cc2)ccn1,JMCDOLSSEPBBRZ-UHFFFAOYSA-N,3,1,0.592,35,352,451.914,5.329,5,0.326,0.67,1.0,0.9380782674251251,0.9436210677815091,0.8650795010622987,0.8812881228154342,0.9070167397710919
EOS-3-50401,Cc1[nH]ncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)o1,QCXSJXUCAWOUBN-UHFFFAOYSA-N,3,1,0.26,76,687,410.397,3.8,6,0.465,0.62,0.987,0.11339181687341512,0.09501576314166267,0.3331163045713111,0.29980810088410664,0.21033299636762387
EOS-3-50402,Cc1nc(-c2cncc3nnc(-c4ccc(-c5nnn(C)n5)cn4)n23)c2[nH]n(C)c2n1,TTXITNNMXLSNHT-UHFFFAOYSA-N,3,1,0.234,99,286,413.409,0.962,6,0.448,0.57,0.158,0.05305496538962374,0.04543896922760606,0.0040093208142005345,0.0021245973545336166,0.02615696319649099
EOS-3-50403,COC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4cc(F)c(F)cc4Cl)n23)cn1,KBSCVPSNZAJKLB-UHFFFAOYSA-N,3,1,0.341,96,575,468.807,4.227,5,0.285,0.66,0.951,0.4650212459735453,0.5233191693509698,0.6968764992118429,0.6838119388664246,0.5922572133506956
EOS-3-50404,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)nnc1Cl,NBFRXORKQCLZTK-UHFFFAOYSA-N,3,1,0.535,90,281,406.208,3.044,4,0.471,0.7,1.0,0.7902131450894387,0.9380011651017751,0.5172537865807689,0.6660955383455555,0.7278909087793847
EOS-3-50405,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)c4)n23)c(OC)n1,VLLDBNPNLYUZKO-UHFFFAOYSA-N,3,1,0.429,27,456,478.463,3.99,5,0.33,0.62,0.896,0.5073075868686177,0.37320094578849977,0.5372918237269549,0.3343670755945446,0.4380418579946542
EOS-3-50406,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(C)n1,AJESOTRVBVSRRJ-UHFFFAOYSA-N,3,1,0.337,63,505,402.462,2.194,5,0.53,0.81,1.0,0.022214036049619627,0.011462545404701529,0.008532657117401138,0.007170516071550956,0.012344938660818311
EOS-3-50407,CCc1ccc(-c2ncon2)cc1-c1nnc2cncc(-c3cnnc(-c4ncc(F)c(C)n4)n3)n12,JCBUXIUKFADJSL-UHFFFAOYSA-N,3,1,0.304,86,812,481.455,3.16,6,0.358,0.54,1.0,0.30679871153450755,0.34440751147967924,0.082525186758961,0.0887533411006785,0.2056211877184566
EOS-3-50408,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1nc(C)nc(=N)[nH]1,IPSJCXQGZIVYHM-UHFFFAOYSA-N,3,1,0.394,46,690,474.916,2.949,5,0.382,0.6,0.006,0.4231975190185731,0.43390617503940787,0.09230004797477898,0.07996367623877733,0.25734185456788433
EOS-3-50409,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nc4)n23)nc1,FUFHISGVGNKPLA-UHFFFAOYSA-N,3,1,0.353,6,318,482.895,3.885,6,0.36,0.61,1.0,0.5329997943938044,0.5369662805839216,0.3107394969501748,0.29368274964018914,0.4185970803920225
EOS-3-50410,Fc1cccnc1-c1cc(Cl)nc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)c1,ZMCMWJCKZCIQMF-UHFFFAOYSA-N,3,1,0.421,18,795,483.294,4.106,5,0.333,0.64,1.0,0.6984870810773764,0.6612894935234048,0.4508001507778768,0.5928311973134124,0.6008519806730176
EOS-3-50411,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)c(Cl)n1,QKRUEDJYTPBHDM-UHFFFAOYSA-N,3,1,0.463,58,24,468.308,3.305,5,0.276,0.6,1.0,0.5839301624288945,0.5795096292234939,0.25956925502021794,0.312461448838325,0.43386762387773287
EOS-3-50412,N#Cc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)cnc2CO)cn1,YENVWUARQGDDGM-UHFFFAOYSA-N,3,1,0.438,33,535,481.436,0.475,5,0.325,0.65,0.97,0.4415478719758755,0.18978308546364198,0.051787060516756904,0.03257144815297101,0.17892236652731133
EOS-3-50413,Fc1nc(-c2cnco2)cc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1F,HHZWPFOYDKQZJL-UHFFFAOYSA-N,3,1,0.667,97,996,472.358,4.3,5,0.255,0.73,1.0,0.9739308477828799,0.9601980673017614,0.9510828592968268,0.917269207045439,0.9506202453567268
EOS-3-50414,COc1ccc(Cl)cc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,PRUYJYZBOXPZNP-UHFFFAOYSA-N,3,1,0.529,34,372,479.327,5.143,5,0.333,0.74,1.0,0.8095658282502913,0.9459341374820095,0.8592968268110479,0.8699283805085326,0.8711812932629702
EOS-3-50415,Cn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nc4)nc3)n12,OMHFMXBCWBEPCV-UHFFFAOYSA-N,3,1,0.321,8,474,484.886,3.898,6,0.346,0.67,0.92,0.20995819340689467,0.32511479679254335,0.36285210060996503,0.482746213419231,0.3451678260571585
EOS-3-50416,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Cl)c1,XBEVGNSBYYYZKS-UHFFFAOYSA-N,3,1,0.448,83,533,436.277,5.966,5,0.35,0.76,1.0,0.4322870262490576,0.7724967445685696,0.9620228222877116,0.9849736138715647,0.7879450517442259
EOS-3-50417,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)c(Cl)c4)n23)s1,IMQXAZOMFVVPCA-UHFFFAOYSA-N,3,1,0.615,97,31,454.342,5.801,5,0.336,0.79,1.0,0.7168288671098623,0.8495819340689467,0.8872164347885683,0.9216554725515729,0.8438206771297375
EOS-3-50419,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)nc5)n34)o2)nn1,WGHQURUOIFMPGZ-UHFFFAOYSA-N,3,1,0.293,76,968,409.369,2.953,6,0.428,0.62,0.998,0.14338462065656912,0.09502433006647934,0.2595778219450346,0.255105887190734,0.18827316496470425
EOS-3-50420,Cc1cnnc(-c2ccc(-c3nnc4cncc(-c5cc6cncc-6nnnn5C)n34)cc2)n1,XKBIQCHTDCCKBY-UHFFFAOYSA-N,3,1,0.327,78,75,448.454,2.93,6,0.47,0.52,0.59,0.11884038105681584,0.08227674593927764,0.01157391542731821,0.0012764717976835036,0.05349187855527379
EOS-3-50421,Cc1nc(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nc2)s1,WNIOGCXZPZOGLX-UHFFFAOYSA-N,3,1,0.312,38,818,451.515,5.249,6,0.361,0.59,1.0,0.1490045233363032,0.11689568912343225,0.3628606675347817,0.3185782331574258,0.23683477828798571
EOS-3-50422,Clc1cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)nn2)nc(Cl)n1,ZLKHIRBHAIWFHJ-UHFFFAOYSA-N,3,1,0.33,42,620,477.275,3.791,6,0.275,0.71,1.0,0.0267459392776369,0.1568261256939209,0.35151805907751354,0.4738451785347132,0.2522338256459461
EOS-3-50423,Cc1cccc(-c2ncsc2-c2cncc3nnc(-c4ccc(F)cc4[N+](=O)[O-])n23)n1,KPIMNDMTYQRHJT-UHFFFAOYSA-N,3,1,0.367,96,140,433.428,4.333,5,0.306,0.65,0.866,0.15172880542800357,0.17273490507847303,0.25585120964978414,0.180111027345624,0.1901064868754712
EOS-3-50424,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cncs6)ns5)n34)nc2)nc1,JOLUBELWBWKVQL-UHFFFAOYSA-N,3,1,0.477,6,297,470.543,4.407,6,0.353,0.59,1.0,0.35558734836543077,0.3343328078952779,0.19233602905900898,0.1991210335138099,0.2703443047083819
EOS-3-50425,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)c(F)n1,YJCIJCHIJPNULA-UHFFFAOYSA-N,3,1,0.414,18,194,463.864,3.156,5,0.276,0.59,0.997,0.7500685353985334,0.6464601466657529,0.3702367898019327,0.36977417586183264,0.5341349119320129
EOS-3-50426,COCCn1cc(-c2cc(F)cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)cn1,PHYIVTRWQFNXAE-UHFFFAOYSA-N,3,1,0.453,16,772,479.903,4.068,5,0.31,0.65,1.0,0.3809882804468508,0.4819837571105476,0.6968850661366596,0.677840792269207,0.5594244739908162
EOS-3-50427,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ocnc4-c4ccccc4)n23)c1,HLTFTZQSTUCSBL-UHFFFAOYSA-N,3,1,0.457,77,363,463.501,4.909,6,0.332,0.62,1.0,0.36716126379274894,0.23859742306901516,0.4215269686793229,0.37317524501404975,0.3501152251387842
EOS-3-50428,Cn1nc(C(F)(F)F)nc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)cn1,VBBXOZKQIWPGSF-UHFFFAOYSA-N,3,1,0.51,65,981,485.405,3.156,5,0.338,0.66,1.0,0.6320934137482009,0.6755105887190734,0.5963093687889796,0.4614402714001782,0.591338410664108
EOS-3-50429,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nn2)cc1,WUUDDZHOKIEORZ-UHFFFAOYSA-N,3,1,0.337,30,39,406.409,3.694,6,0.44,0.77,1.0,0.03271708587485436,0.021991296004386266,0.3438163936673292,0.3795319032280173,0.19451416969364677
EOS-3-50430,CCn1nc(COc2cncc3nnc(-c4ccc(C(F)F)c(Cl)c4)n23)c(Cl)c1Cl,AINMLNOXISVYFV-UHFFFAOYSA-N,3,1,0.483,90,255,473.698,5.485,4,0.371,0.71,1.0,0.48233500102803095,0.6708416146939894,0.8955177849359194,0.9377869919813584,0.7466203481598245
EOS-3-50431,Cc1ncc(-c2cc(F)cc(F)c2-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cn1,KNVPZLPODDLSCK-UHFFFAOYSA-N,3,1,0.326,85,362,484.392,4.235,5,0.352,0.65,1.0,0.502270235076417,0.6413628263998356,0.9433297923377424,0.8882101980673017,0.7437932629703241
EOS-3-50432,COCc1nc(-c2ccccc2Cl)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C,QZKYOZCAEUNRJE-UHFFFAOYSA-N,3,1,0.395,45,46,465.344,5.312,5,0.352,0.69,0.999,0.38099684737166745,0.5742581043108765,0.5866373106709616,0.7591237749297512,0.5752540093208142
EOS-3-50433,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)nc2F)n1,CDECGSDJKITVRQ-UHFFFAOYSA-N,3,1,0.392,31,814,481.854,3.295,5,0.337,0.57,0.887,0.734990747721198,0.7467617024192996,0.33312487149612774,0.40407614282777055,0.554738366116099
EOS-3-50434,Fc1nnccc1-c1cnc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cn1,YUOZRCSXBKUASU-UHFFFAOYSA-N,3,1,0.418,80,34,479.439,2.608,6,0.348,0.52,1.0,0.5405472551572887,0.46012953190322803,0.1632684531560551,0.15577239394147077,0.32992940853951064
EOS-3-50435,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1noc(COC)n1,YGWLCVOOSXEMHI-UHFFFAOYSA-N,3,1,0.41,7,690,478.9,3.573,5,0.326,0.58,0.829,0.4393547392228086,0.4733311630457131,0.07159379069289287,0.08336474539099445,0.2669111095881022
EOS-3-50436,FC(F)c1ccc(-c2nnc3cncc(OCc4csc(-c5cccc(Cl)n5)n4)n23)cn1,DJBHFIBPHBNXLX-UHFFFAOYSA-N,3,1,0.484,27,786,471.88,4.875,5,0.326,0.7,1.0,0.6012267836337468,0.7637841820300185,0.666806593105339,0.6489959564114866,0.6702033787951477
EOS-3-50437,Cc1nnc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccc2Cl)s1,LOAMEUOWUJYYLL-UHFFFAOYSA-N,3,1,0.471,13,145,455.33,5.717,5,0.345,0.79,1.0,0.609656637653348,0.8290812829826606,0.6640908779384552,0.7880971146597218,0.7227314783085463
EOS-3-50438,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ncsn4)cc3Cl)n12,XMGHYOQJEIYGBH-UHFFFAOYSA-N,3,1,0.5,73,325,474.308,4.73,5,0.34,0.64,1.0,0.7819546295661709,0.8174473990816257,0.797503598108423,0.8516979644986635,0.8121508978137209
EOS-3-50439,Cc1ccc(-c2nnc3cncc(-c4cnn(C5COCC5C#Cc5cncc(F)c5)n4)n23)cn1,VJGLMLKCKFNRIB-UHFFFAOYSA-N,3,1,0.299,50,974,467.468,2.527,6,0.373,0.49,0.801,0.19888115961894318,0.2743557672537866,0.3664245082585155,0.37631073949695015,0.3039930436570488
EOS-3-50440,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)cc(Cl)n2)nc1,SKDAVNLXXXRGIM-UHFFFAOYSA-N,3,1,0.488,24,486,456.318,4.591,5,0.357,0.52,1.0,0.6923188952093756,0.6562778425056541,0.5373003906517716,0.6490045233363032,0.6337254129257761
EOS-3-50441,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)c(F)c4F)n23)cc1,LRJJZIIGTCWKBY-UHFFFAOYSA-N,3,1,0.279,64,27,485.433,4.128,6,0.346,0.68,1.0,0.2207525186758961,0.2899904050442053,0.6939980124734425,0.7276574600781304,0.48309959906791855
EOS-3-50442,Cc1cc(-c2nnc3cncc(CNc4cc(Cl)cc(Cl)c4)n23)cc(-c2ccccc2)n1,REQNFABXMJZWKN-UHFFFAOYSA-N,3,1,0.341,57,358,461.356,6.081,5,0.344,0.83,1.0,0.18214995545199095,0.12392913439791653,0.8304177232540607,0.8742718113905832,0.5026921561236379
EOS-3-50443,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1Cl,ISEXYTVKGBIKFH-UHFFFAOYSA-N,3,1,0.552,37,265,485.31,4.049,5,0.358,0.64,0.996,0.7441145226509492,0.7893735864574053,0.6806336097594408,0.7489548351723665,0.7407691385100403
EOS-3-50444,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C#N)cn5)s4)n23)cc1,SQEOAKJZMRDFJQ-UHFFFAOYSA-N,3,1,0.333,38,126,472.537,5.219,6,0.346,0.69,1.0,0.19326982386402577,0.2795216229182373,0.5707542320608594,0.5418922623535056,0.39635948529915704
EOS-3-50445,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)on2)cn1,HAFJUCUDHCQLGY-UHFFFAOYSA-N,3,1,0.452,55,283,458.335,3.426,5,0.279,0.61,1.0,0.8199061065040093,0.789382153382222,0.7251302172572134,0.6490130902611199,0.7458578918511412
EOS-3-50446,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5COCC5(C)C)cn4)n23)nc1,FIAPOMWQLBTNKH-UHFFFAOYSA-N,3,1,0.274,52,821,481.52,2.857,6,0.385,0.57,0.355,0.05306353231444041,0.021999862929202932,0.05179562744157357,0.04402542663285587,0.042721112329518196
EOS-3-50447,CCc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cnc2OC)o1,BNPZNHUHXZDVGO-UHFFFAOYSA-N,3,1,0.643,84,657,476.924,4.687,5,0.318,0.68,1.0,0.5073161537934343,0.5369748475087383,0.40363922966212046,0.34074086765814543,0.4471677746556096
EOS-3-50448,N#Cc1ccccc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)n1,JSFGUTSVKZMHOX-UHFFFAOYSA-N,3,1,0.541,11,201,471.883,4.534,5,0.335,0.59,1.0,0.9715920773079295,0.9695788499760126,0.8372198615584949,0.8499760126105134,0.9070917003632376
EOS-3-50449,FC(F)c1ccc(-c2nnc3cncc(CCc4ncc(-c5cncc(Cl)c5)s4)n23)cn1,AJABSSIYQXCYBD-UHFFFAOYSA-N,3,1,0.387,85,290,469.908,5.081,5,0.345,0.65,1.0,0.32194503461037627,0.5052343910629841,0.647411075320403,0.6951802480981427,0.5424426872729765
EOS-3-50450,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cccnn6)ncn5)n34)cn2)s1,OWHSBPLGBLIYBU-UHFFFAOYSA-N,3,1,0.424,6,843,480.517,3.444,6,0.349,0.6,1.0,0.37166746624631625,0.41118669042560485,0.14167980261805221,0.10927969296141457,0.25845341306284697
EOS-3-50451,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4cccc(C#N)c4)n23)c1,OYDAQSBPLCVLBH-UHFFFAOYSA-N,3,1,0.506,89,230,407.437,3.642,5,0.441,0.73,1.0,0.5928311973134124,0.39199677883626893,0.7780738126242204,0.7145928997327119,0.6193736721266534
EOS-3-50452,Cn1cc(-c2ccnc(COc3cncc4nnc(-c5ccc(OCC(F)(F)F)nc5)n34)n2)nn1,AWTBPDXGWSAXEJ-UHFFFAOYSA-N,3,1,0.415,92,185,484.402,2.292,5,0.339,0.62,1.0,0.37869234459598383,0.4339147419642245,0.5028784867384004,0.3155626756219587,0.4077620622301419
EOS-3-50453,COCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc(C)n2)cn1,ALIVKOTWJXQKMS-UHFFFAOYSA-N,3,1,0.458,4,43,473.924,4.331,5,0.322,0.59,1.0,0.5172966212048523,0.5415410184360222,0.6262165033239668,0.5249211842916867,0.552493831814132
EOS-3-50454,Clc1ccc(COc2cccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)c2)nc1,UBAKGKUKSZUAER-UHFFFAOYSA-N,3,1,0.595,4,71,479.327,5.046,5,0.323,0.7,1.0,0.6321019806730176,0.7281629086423137,0.8304262901788774,0.8388218764992118,0.7573782639983551
EOS-3-50455,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(CO)n[nH]4)n23)c(F)c1,NKQFESGQOXYOKY-UHFFFAOYSA-N,3,1,0.406,36,677,420.408,2.125,5,0.432,0.55,1.0,0.46735144952367896,0.5415495853608389,0.4787111918305805,0.3891525597971352,0.46919119662805836
EOS-3-50456,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)n1,RZLZKYZBKSXNLX-UHFFFAOYSA-N,3,1,0.43,59,564,483.841,4.601,5,0.361,0.66,1.0,0.819914673428826,0.7852871633198547,0.9012404907134535,0.9084452744842711,0.8537219004866013
EOS-3-50457,COc1cccc(Cl)c1-c1nnc2cncc(-c3ccsc3-c3ccc(F)cc3)n12,GDHTXAUXUPBBKB-UHFFFAOYSA-N,3,1,0.416,96,46,436.899,5.988,5,0.347,0.81,1.0,0.4208673154684395,0.5742666712356932,0.9045901583167706,0.9246538962374066,0.7060945103145775
EOS-3-50458,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nc(C6(c7ccccc7)CC6)no5)n34)cc2)n1C,XHWGKVRSAXXAOP-UHFFFAOYSA-N,3,1,0.321,30,366,474.528,4.63,7,0.359,0.62,1.0,0.19606264135425946,0.15303097800013707,0.09677198272907957,0.19632821602357617,0.16054845452676306
EOS-3-50459,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cn(C)nc4C)n23)ncn1,MAAPELOZGZBEIB-UHFFFAOYSA-N,3,1,0.385,31,296,416.449,2.086,5,0.413,0.5,0.943,0.12123912000548283,0.029178945925570555,0.04326297032417244,0.01927558083750257,0.0532391542731821
EOS-3-50460,CCn1nncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)o5)c4)n23)cc1,ZHUCJDPZTYOROZ-UHFFFAOYSA-N,3,1,0.468,77,755,479.504,4.007,6,0.334,0.61,1.0,0.26151394695360153,0.2082448084435611,0.19234459598382564,0.15308237954903708,0.2037964327325063
EOS-3-50461,Cn1cc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(Cl)cn6)n5C)n34)c(F)c2)nn1,YWFQZSBKYVEPOS-UHFFFAOYSA-N,3,1,0.313,8,311,487.89,3.237,6,0.372,0.63,1.0,0.12412617366869988,0.3492563909259132,0.1857052292509081,0.3185868000822425,0.24441864848194092
EOS-3-50462,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)cc(F)n2)c1,RMHPSRWZOFEGJV-UHFFFAOYSA-N,3,1,0.506,73,526,453.359,3.779,5,0.296,0.55,0.909,0.7077393598793777,0.7377150298128984,0.8623809197450483,0.8699369474333494,0.7944430642176685
EOS-3-50463,Cc1cc(F)cc(-c2cncc(-c3nnc4cncc(OCCc5nnc(Cl)cc5F)n34)c2)n1,HOJHRSSMKFQYJM-UHFFFAOYSA-N,3,1,0.422,87,838,480.866,3.9,5,0.36,0.57,1.0,0.753066959084367,0.7423840038379823,0.5439483243095059,0.6016037283256802,0.6602507538893838
EOS-3-50464,Clc1ccc(-c2nnc3cncc(OCCc4cc(Cl)cc(-c5cscn5)c4)n23)nc1,WACDWZMLYGJLMC-UHFFFAOYSA-N,3,1,0.5,11,692,469.357,5.238,5,0.339,0.63,1.0,0.7013398670413269,0.7935114111438558,0.727820231649647,0.8079295456103077,0.7576502638612843
EOS-3-50465,Fc1cncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)c2)c1,CZMUDFOCVCZEKC-UHFFFAOYSA-N,3,1,0.295,41,174,463.451,5.256,6,0.332,0.64,1.0,0.3122130080186416,0.4339233088890412,0.9012490576382701,0.9107754780344047,0.6395402131450894
EOS-3-50466,Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)ccc4Cl)n23)n1,JPPANDWARQJYHH-UHFFFAOYSA-N,3,1,0.506,4,92,463.328,5.443,5,0.323,0.73,1.0,0.5354927695154548,0.742392570762799,0.8483739976697965,0.8665530121307655,0.7482030875197039
EOS-3-50467,CCn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)nc3)n12,OQXRUJHCRKCQJR-UHFFFAOYSA-N,3,1,0.315,99,754,484.915,2.976,6,0.339,0.63,0.66,0.13528887670481804,0.23326879583304777,0.02763689945857035,0.05918888355835789,0.11384586388869851
EOS-3-50468,CC#Cc1c(F)ccc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1F,WDDFTQGMBNAOFU-UHFFFAOYSA-N,3,1,0.43,0,646,403.392,3.131,4,0.531,0.75,1.0,0.39227948735521895,0.3588256459461312,0.8813052566650675,0.7927660886848057,0.6062941196628058
EOS-3-50469,Cc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc(-c2ccc(Cl)nc2)n1,JDIYJYCCDZHDBD-UHFFFAOYSA-N,3,1,0.489,35,429,478.343,4.88,5,0.321,0.69,1.0,0.866981358371599,0.8495905009937633,0.7019738194777603,0.7360444794736481,0.7886475395791926
EOS-3-50470,COc1cc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5F)cc4)n23)ccc1Cl,PYVOTORJFCOGGK-UHFFFAOYSA-N,3,1,0.372,83,405,448.86,6.066,5,0.335,0.81,1.0,0.6682201357000891,0.8838667671852511,0.9844595983825646,0.9873809197450483,0.8809818552532382
EOS-3-50471,COc1cc(-c2nnc3cncc(OCc4cccc(-c5ccnn5C(C)C)n4)n23)ccc1Cl,JDRXZETYXSAWAF-UHFFFAOYSA-N,3,1,0.489,4,67,475.94,4.872,5,0.331,0.7,0.998,0.4673600164484957,0.6133404153245151,0.5172623535055856,0.3731838119388664,0.4927866493043657
EOS-3-50472,COc1ncc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4F)n23)cn1,QIFXFUYCYKFUAY-UHFFFAOYSA-N,3,1,0.432,13,374,406.337,2.571,5,0.43,0.71,1.0,0.6682287026249057,0.5052429579878007,0.3071071208279076,0.21972448769789596,0.42507581728462746
EOS-3-50473,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)cc(C(F)F)c2)ccn1,YWGWWTNNYHADAO-UHFFFAOYSA-N,3,1,0.598,11,275,462.435,4.947,5,0.319,0.62,0.993,0.7819631964909876,0.8527174285518471,0.9344715920773079,0.907211637310671,0.8690909636077034
EOS-3-50474,Clc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccncn5)n4)n23)cc1,NZUNAJRFWDMQSU-UHFFFAOYSA-N,3,1,0.542,36,975,405.809,2.394,5,0.438,0.75,1.0,0.4534473305462271,0.6515317661572202,0.18571379617572475,0.26989239942430265,0.3901463230758686
EOS-3-50475,C#Cc1cccc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)cc(F)n2)n1,BBUCXGMVLFGSIX-UHFFFAOYSA-N,3,1,0.421,13,616,442.841,4.814,5,0.293,0.62,0.999,0.7587039956137345,0.809651497498458,0.8532400109656638,0.8618155027071482,0.8208527516962512
EOS-3-50476,Cc1nc(-c2nccc(Cl)n2)c(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)s1,MSRDFAVCRBBLNR-UHFFFAOYSA-N,3,1,0.409,51,196,472.321,3.689,5,0.353,0.54,0.616,0.45790213145089437,0.4470821054074429,0.0417551915564389,0.10485059283119731,0.26289750531149336
EOS-3-50477,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccsc5)n4)n23)cc1,WLKAWKQICCWTFP-UHFFFAOYSA-N,3,1,0.511,67,415,484.52,4.428,6,0.345,0.7,1.0,0.5957353848262628,0.5510417380577068,0.45080871770269343,0.4299396888492907,0.5068813823589884
EOS-3-50478,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)nc(C)n2)cn1,VGIICWJHOAPNFE-UHFFFAOYSA-N,3,1,0.475,44,531,477.45,4.299,5,0.337,0.58,1.0,0.7959701185662394,0.7424011376876156,0.7849359194023713,0.7118943184154616,0.758800373517922
EOS-3-50479,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)c5Cl)n34)c2)nc1,CQDXTPBGTIEYDX-UHFFFAOYSA-N,3,1,0.411,18,692,482.306,4.711,5,0.346,0.64,1.0,0.6806164759098075,0.6708501816188062,0.730296072921664,0.8207799328353095,0.7256356658213967
EOS-3-50480,Fc1ccc(-c2nncnc2-c2cncc3nnc(-c4ccc(-c5cncc(Cl)c5)cc4)n23)cc1,WRPUMLDLRVSDCW-UHFFFAOYSA-N,3,1,0.37,3,550,480.894,5.165,6,0.343,0.71,1.0,0.34411623603591257,0.5006596532108835,0.7975121650332396,0.8770817627304502,0.6298424542526215
EOS-3-50481,Cc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c2)nn1,XBUKONWIQNSQLC-UHFFFAOYSA-N,3,1,0.511,37,628,479.878,4.505,5,0.331,0.63,1.0,0.832602289082311,0.8730895757658831,0.807792474813241,0.8038174216983072,0.8293254403399355
EOS-3-50482,N=c1nc(-c2ccc(C(F)F)nc2)cc(-c2nnc3cncc(OCCc4cncnn4)n23)[nH]1,PDTXDCJWYLWAGE-UHFFFAOYSA-N,3,1,0.394,31,779,463.412,1.8,5,0.367,0.52,0.982,0.4185114111438558,0.2131193886642451,0.2890651771640052,0.21973305462271264,0.2851072578987047
EOS-3-50483,CC(C)n1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,VRXIBAFKBAJLDO-UHFFFAOYSA-N,3,1,0.435,9,558,414.9,5.556,5,0.386,0.8,1.0,0.3122215749434583,0.5006682201357001,0.8735007881570831,0.8584144335549311,0.6362012541977932
EOS-3-50484,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cn2)s1,BVMHQYIGRWKTBO-UHFFFAOYSA-N,3,1,0.605,84,524,466.929,5.032,5,0.349,0.6,1.0,0.7931773010760057,0.9082739359879378,0.6777979576451237,0.6923959975327256,0.7679112980604482
EOS-3-50485,Cc1cccc(-c2nc(C)ccc2-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)n1,KHFAOAZAHMSKRE-UHFFFAOYSA-N,3,1,0.406,52,376,491.555,4.005,6,0.375,0.8,1.0,0.03510725789870468,0.004737509423617298,0.018701596874785828,0.03918511411143856,0.02443286957713659
EOS-3-50486,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)cc(C)n2)cn1,GTKJOWGCGTZPKP-UHFFFAOYSA-N,3,1,0.469,75,530,476.903,4.069,5,0.338,0.55,1.0,0.7587125625385511,0.7683332191076692,0.47507881570831334,0.45210232335001027,0.613556730176136
EOS-3-50487,Cc1nc(-c2cnc(-c3cncc4nnc(-c5cnccc5-c5ccccc5)n34)nc2)ccc1Cl,TVSRYODBZMVWKQ-UHFFFAOYSA-N,3,1,0.307,42,106,476.931,5.334,6,0.339,0.71,1.0,0.23176101706531424,0.284738880131588,0.5639092591323418,0.6404033308203687,0.4302031217874032
EOS-3-50488,COc1ncc(F)cc1-c1ccnc(-c2nnc3cncc(OCc4cnc(F)c(Cl)c4)n23)c1,BCMDAIWRDUTTGZ-UHFFFAOYSA-N,3,1,0.378,46,160,481.85,4.163,5,0.333,0.63,1.0,0.7441230895757659,0.6464687135905696,0.8056507436090741,0.7463933246521829,0.7356589678568981
EOS-3-50489,Fc1ccc(-c2cccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)c2)cc1F,FPVNGCCKHKBZAC-UHFFFAOYSA-N,3,1,0.5,57,163,434.833,6.182,5,0.339,0.84,1.0,0.8888355835789186,0.9408882187649921,0.9842882598862313,0.9908505242957988,0.9512156466314852
EOS-3-50490,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccccc5F)n34)nn2C)o1,CZZLGQWEXXVEAL-UHFFFAOYSA-N,3,1,0.422,95,226,406.381,2.601,5,0.438,0.77,1.0,0.40086354602152013,0.3206085943389761,0.13868994585703515,0.1585309437324378,0.2546732574874923
EOS-3-50491,Fc1cnc(F)c(Cl)c1COc1cncc2nnc(-c3ccc(-c4cscn4)c(F)n3)n12,JWWNALFTCCFQJT-UHFFFAOYSA-N,3,1,0.398,46,223,475.843,4.355,5,0.349,0.61,0.998,0.7045267630731272,0.7237081077376465,0.8175330683297923,0.8366715783702282,0.7706098793776985
EOS-3-50492,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)nn2)cc1F,HHVWXSXAESWPTA-UHFFFAOYSA-N,3,1,0.314,3,783,487.861,4.428,6,0.362,0.73,0.997,0.07950962922349393,0.3537968610787472,0.79990233705709,0.8584230004797478,0.5229079569597698
EOS-3-50493,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccccc5OC(F)(F)F)cnn4)n23)cc1,KBZFWJWIMGEYNM-UHFFFAOYSA-N,3,1,0.344,62,124,491.433,4.174,5,0.393,0.81,1.0,0.592839764238229,0.6085001028030979,0.9219981495442396,0.8286529367418272,0.7379977383318485
EOS-3-50494,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)cn4)n23)c(F)c1,DZZKSVNUTZEIGH-UHFFFAOYSA-N,3,1,0.302,98,314,484.886,3.898,6,0.346,0.64,1.0,0.20996676033171133,0.39670002056061954,0.4891457062572819,0.5318946610924542,0.4069267870605167
EOS-3-50495,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)nc1,UKIOTOMUXOIXFM-UHFFFAOYSA-N,3,1,0.578,88,141,482.853,4.941,5,0.341,0.71,1.0,0.9528647796586938,0.9582191076691111,0.9290658625179905,0.9435696662326092,0.9459298540196012
EOS-3-50496,CC(=O)c1cccc(-c2ncccc2-c2nnc3cncc(-c4cnc(C)cn4)n23)c1,MAHZPGYJQFGABX-UHFFFAOYSA-N,3,1,0.322,82,155,407.437,3.821,5,0.418,0.73,1.0,0.06736172983345898,0.04176375848125557,0.3071156877527243,0.23152114317044753,0.16194057980947157
EOS-3-50497,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(OC(F)F)ccn5)n34)cnc2F)c1,SBLMNDXAUDXCPN-UHFFFAOYSA-N,3,1,0.543,87,227,482.426,3.344,5,0.31,0.66,0.999,0.7902217120142554,0.7935199780686725,0.7433006647933658,0.6431190459872524,0.7425403502158865
EOS-3-50498,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)cc1,KTFZNMZBDAGZOU-UHFFFAOYSA-N,3,1,0.347,69,867,463.932,5.574,6,0.341,0.68,1.0,0.30164142279487355,0.29518196148310605,0.7849444863271879,0.8059505859776575,0.5469296141457063
EOS-3-50499,Fc1ccc(-c2nnc3cncc(-c4nnn(Cc5ccnc(F)c5F)n4)n23)nc1,NNIAFTKIGMMXEI-UHFFFAOYSA-N,3,1,0.279,50,221,410.323,1.7,5,0.412,0.6,0.456,0.18215852237680763,0.22350250154204646,0.19921526968679323,0.34714892742101294,0.23800630525666505
EOS-3-50500,Fc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)nc1,WZDKPRPISJFHLG-UHFFFAOYSA-N,3,1,0.506,11,639,469.904,5.468,5,0.33,0.72,1.0,0.9159327667740388,0.9082825029127545,0.8825902953875677,0.9084538414090878,0.9038148516208622
EOS-3-50501,CCn1c(-c2cn(C)nc2C)nnc1-c1cncc2nnc(-c3nc(-c4cccnn4)ccc3F)n12,UGKIKAKATJNYEB-UHFFFAOYSA-N,3,1,0.25,99,754,482.487,2.77,6,0.364,0.55,0.224,0.0795181961483106,0.1491073264341032,0.014272496744568569,0.02240250839558632,0.06632513193064217
EOS-3-50502,Cn1c(-c2cccnc2Cl)nnc1-c1cncc2nnc(-c3nccnc3-c3cccc(F)c3)n12,GMSOFSUAGWLGMT-UHFFFAOYSA-N,3,1,0.333,39,854,484.886,3.898,6,0.346,0.66,0.838,0.1004643273250634,0.2386059899938318,0.1792971694880406,0.3731923788636831,0.22288996641765474
EOS-3-50503,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)cnn4)n23)cnc1Cl,XQBWZFSALOXFNR-UHFFFAOYSA-N,3,1,0.432,54,87,483.294,4.106,5,0.333,0.65,1.0,0.7587211294633678,0.7637927489548352,0.733028921938181,0.7951134260845727,0.7626640566102392
EOS-3-50504,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)Nc6cccc(F)c6)cc5)n34)nc2)cn1,ADGCXRFQKLUPII-UHFFFAOYSA-N,3,1,0.5,3,714,490.502,4.645,6,0.378,0.8,1.0,0.08608046055787814,0.1644935234048386,0.6885580152148585,0.5986824069631965,0.3844536015351929
EOS-3-50505,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)nc1,UNUHNWAVFNWMNR-UHFFFAOYSA-N,3,1,0.347,32,126,450.502,5.783,6,0.34,0.73,1.0,0.27716571859365363,0.44247309985607564,0.7549859502433006,0.7834881091083544,0.5645282194503461
EOS-3-50506,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5cccnc5-c5ccc(Cl)nc5)n34)cc2)CC1,KQGCURXFVLMQEI-UHFFFAOYSA-N,3,1,0.33,62,582,481.947,4.851,6,0.36,0.73,0.999,0.2615225138784182,0.25889246795970117,0.29988520320745665,0.43622781166472485,0.3141319991775752
EOS-3-50507,Cc1nnc(-c2csc(-c3cncc4nnc(-c5ccc(C(=O)NCC6CCCO6)cc5)n34)c2)o1,ZZJJGYXBZQFDLU-UHFFFAOYSA-N,3,1,0.304,52,295,487.545,3.787,6,0.384,0.67,1.0,0.09810842300047974,0.04890857377835652,0.04176375848125557,0.056173326022890824,0.061238520320745664
EOS-3-50508,c1c[nH]c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)n1,ZVKAIXBMUWTCJD-UHFFFAOYSA-N,3,1,0.324,38,983,407.397,3.293,6,0.472,0.68,1.0,0.15726303885957096,0.13788465492426838,0.31462888081694196,0.30948872592694127,0.22981632513193062
EOS-3-50509,Fc1ccc(Br)cc1-c1nnc2cncc(OCc3ccc(-c4nccs4)nc3)n12,FZSWKQZRBIQYBD-UHFFFAOYSA-N,3,1,0.519,24,389,483.326,4.79,5,0.358,0.72,1.0,0.7959786854910561,0.8018384620656569,0.6668151600301556,0.6633198547049551,0.731988040572956
EOS-3-50510,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cnn(C)c1C,NZLGSULELAHSHD-UHFFFAOYSA-N,3,1,0.426,31,690,474.956,4.128,5,0.35,0.58,0.999,0.38332705092180114,0.38276163388390105,0.22360530463984649,0.20527208553217738,0.29874151874443156
EOS-3-50511,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc(Cl)n2)ncc1F,GXFHJTKREVOSAW-UHFFFAOYSA-N,3,1,0.505,58,669,480.866,3.9,5,0.337,0.6,1.0,0.8922966212048523,0.8838753341100678,0.5373089575765883,0.5514358165992735,0.7162291823726955
EOS-3-50512,CCc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)cn2)s1,NFSTZRYEQWPHLX-UHFFFAOYSA-N,3,1,0.489,55,879,455.956,4.561,5,0.37,0.56,1.0,0.38789322184908503,0.584795421835378,0.11548214652868206,0.14313617983688576,0.30782674251250774
EOS-3-50513,FC(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)nc1,YFHOEWAFBHPSFW-UHFFFAOYSA-N,3,1,0.538,75,583,479.878,4.856,5,0.329,0.66,1.0,0.8602905900897814,0.8838839010348846,0.8547649235830307,0.8347868549105613,0.8584315674045645
EOS-3-50514,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)n5)n34)nc2)cc1,KCNGEFKHYXIEMV-UHFFFAOYSA-N,3,1,0.36,30,301,482.454,4.702,6,0.339,0.69,0.999,0.06537420327599205,0.3154341717497087,0.7641097251730519,0.7693441162360359,0.4785655541086971
EOS-3-50515,Cn1nccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)ccc2cnc1-2,HWDXUZVXHBGDFJ-UHFFFAOYSA-N,3,1,0.283,3,581,450.441,1.678,6,0.411,0.61,0.797,0.0771794256733603,0.14518367486806935,0.19235316290864232,0.2579586731546844,0.1681687341511891
EOS-3-50516,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnc(F)cn5)c(F)c4)n23)c(F)c1,AIDCEBCWEQQIKD-UHFFFAOYSA-N,3,1,0.358,42,192,484.445,4.733,6,0.36,0.68,0.995,0.3393958604619286,0.4512798985676102,0.9067404564457542,0.8990901925844699,0.6491266020149407
EOS-3-50517,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnc(C)cn5)c(C)n4)n23)c1,YQCSOPYOEPWKBB-UHFFFAOYSA-N,3,1,0.402,31,690,472.94,4.238,5,0.338,0.57,0.986,0.6380816941950518,0.6133489822493318,0.292654718662189,0.2489034336234665,0.4482472071825098
EOS-3-50518,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(Cl)c6)cn5)n34)nc2)cn1C,VOFOCSJCCQHEFI-UHFFFAOYSA-N,3,1,0.321,70,72,479.935,4.673,6,0.362,0.62,0.948,0.18483996984442463,0.26403262284970186,0.42539065177164004,0.4677198272907957,0.33549576793914054
EOS-3-50519,Fc1cc(F)cc(-c2nnc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)s2)c1,AKPSDAXCLSCLEU-UHFFFAOYSA-N,3,1,0.449,45,730,476.39,4.996,5,0.333,0.7,0.998,0.4280292646151737,0.8018470289904736,0.94991775752176,0.9621256253855116,0.7854799191282298
EOS-3-50520,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6ncon6)n5)n34)cc2)nc1,FBWLOGMCHYDZGE-UHFFFAOYSA-N,3,1,0.471,56,8,485.855,2.716,6,0.34,0.63,1.0,0.6181978616955658,0.5553851689397574,0.08020355013364402,0.1164330751833322,0.34255491398807486
EOS-3-50521,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cncc(C(F)(F)F)c5)n34)c2)cn1,TWQXMDVHKRVTRR-UHFFFAOYSA-N,3,1,0.483,97,91,466.398,4.985,5,0.268,0.74,1.0,0.8400212459735453,0.8174559660064423,0.9911760674388321,0.9793708450414639,0.9070060311150709
EOS-3-50522,Clc1ccc(-c2nnc3cncc(OCc4ncn(-c5cnccn5)n4)n23)cc1,OBUQWHGCZSPAJQ-UHFFFAOYSA-N,3,1,0.562,73,975,405.809,2.394,5,0.438,0.75,1.0,0.41851997806867247,0.5988880131587965,0.17610170653142349,0.26105989993831813,0.36364239942430265
EOS-3-50523,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncon5)n4)n23)c(OC(F)F)c1,ZZXIVCDIPSJVNN-UHFFFAOYSA-N,3,1,0.345,52,423,490.43,3.397,6,0.364,0.78,0.994,0.409584675484888,0.4158042629017888,0.31074806387499143,0.33759680625042837,0.3684334521280242
EOS-3-50524,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4nnnn4-c4cccc(F)c4)n23)c1,CCMACOLSDWBCBG-UHFFFAOYSA-N,3,1,0.352,2,328,483.471,2.764,6,0.337,0.61,0.992,0.2882513193064218,0.3102768830100747,0.1537163319854705,0.18286957713659105,0.2337785278596395
EOS-3-50525,N#Cc1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)cn1,HICKLCYLGIGMMW-UHFFFAOYSA-N,3,1,0.5,46,238,407.397,2.489,5,0.431,0.67,0.926,0.5558991844287574,0.3827702008087177,0.4326211363169077,0.3697827427866493,0.43526831608525807
EOS-3-50526,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cn5)n34)cc(Cl)n2)c(C)n1,LQRVYTAHEMGBRT-UHFFFAOYSA-N,3,1,0.511,11,684,475.915,4.674,5,0.329,0.61,1.0,0.8042714687135906,0.8674782400109656,0.5801949832088273,0.5419008292783223,0.6984613803029265
EOS-3-50527,CCOc1ncccc1-c1cccc(-c2nnc3cncc(COCc4ccc(Cl)cc4)n23)c1,WGULBOQYYOKHIZ-UHFFFAOYSA-N,3,1,0.515,1,18,471.948,5.622,5,0.292,0.86,1.0,0.5123449386608183,0.5897385374545953,0.8018555959152902,0.7668083064903023,0.6676868446302515
EOS-3-50528,CCCn1cnc(-c2nnc3cncc(Cl)n23)c1-c1ncc(C(F)(F)F)cn1,SAEUUBFDTKUBCL-UHFFFAOYSA-N,3,1,0.364,68,127,408.775,3.527,4,0.513,0.63,0.667,0.1878041258309917,0.18134466451922418,0.5605424576793914,0.592839764238229,0.3806327530669591
EOS-3-50529,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5cccnc5)n34)cnn2)nn1,ULRFFHPKENEBDN-UHFFFAOYSA-N,3,1,0.456,53,226,408.385,1.884,5,0.423,0.65,0.997,0.5809660064423274,0.5415581522856555,0.24524535672674935,0.23433966143513124,0.4005272942224659
EOS-3-50530,Fc1cc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)ccc1Cl,UMWICQZTFDRZHN-UHFFFAOYSA-N,3,1,0.277,64,885,480.894,5.165,6,0.343,0.74,1.0,0.314783085463642,0.43393187581385784,0.8078010417380577,0.8665615790555822,0.6057693955177849
EOS-3-50531,Cc1nc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)ccn2)[nH]c1F,PDXXXRQVUUYLQL-UHFFFAOYSA-N,3,1,0.472,13,110,456.268,5.123,5,0.403,0.57,1.0,0.6923274621341923,0.7467702693441163,0.8056593105338907,0.8533342471386471,0.7745228222877115
EOS-3-50532,Clc1cncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccc2Cl)c1,GYTUFUQVVRBSQD-UHFFFAOYSA-N,3,1,0.537,97,89,455.33,5.196,5,0.363,0.63,1.0,0.7790076074292372,0.8618240696319649,0.8037060516756905,0.8730296072921664,0.8293918340072648
EOS-3-50533,Clc1ccnc(COc2cncc3nnc(-c4cnc(Cl)c(-c5nccs5)c4)n23)n1,ZGIHJVDDXLWYOK-UHFFFAOYSA-N,3,1,0.409,51,422,457.306,3.986,5,0.288,0.68,1.0,0.5586063326708245,0.7281714755671305,0.2853728325680214,0.39513227331916934,0.49182072853128644
EOS-3-50534,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)s1,VFCVXMZJWZQYHM-UHFFFAOYSA-N,3,1,0.359,32,750,453.506,5.121,6,0.37,0.57,0.98,0.15173737235282023,0.32061716126379275,0.5835532177369611,0.6283411006785005,0.4210622130080186
EOS-3-50535,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cc4)n23)cn1,NEMDRTMUJMPVJI-UHFFFAOYSA-N,3,1,0.534,1,713,482.397,4.865,5,0.319,0.77,1.0,0.9645757658830786,0.9592814063463779,0.9775032554314304,0.9516140086354602,0.9632436090740867
EOS-3-50536,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5cc(C)[nH]n5)cn4)n23)c(-c2ccc(Cl)nc2)n1,NUECZZZMKALWGZ-UHFFFAOYSA-N,3,1,0.247,70,392,480.923,4.366,6,0.369,0.6,0.68,0.2291909396203139,0.2589010348845179,0.3628692344595984,0.37320094578849977,0.3060405386882325
EOS-3-50537,Cc1c(F)ccc(-c2cc(-c3nnc4cncc(OCCc5nccnc5Cl)n34)ccn2)c1F,QOLVCRZEWXURGS-UHFFFAOYSA-N,3,1,0.5,75,496,479.878,4.505,5,0.354,0.6,1.0,0.8556644506887807,0.8394044273867453,0.7379891714070317,0.7618137893221849,0.7987179597011856
EOS-3-50538,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)nn2)n(-c2ncccn2)n1,JRWLJIPLIQGGPE-UHFFFAOYSA-N,3,1,0.295,10,507,485.874,3.387,6,0.369,0.62,0.133,0.03385648687547118,0.20343876362141045,0.12139332465218285,0.24597354533616614,0.15116553012130765
EOS-3-50539,Fc1cc(-c2nnc3cncc(-c4cc(-c5cccnn5)ccc4F)n23)c(F)cc1-c1ccnnc1,VWYXGILKEAAWGO-UHFFFAOYSA-N,3,1,0.298,3,923,482.429,4.79,6,0.357,0.65,1.0,0.38790178877390175,0.5944417791789459,0.9306507436090741,0.9369560002741416,0.7124875779590158
EOS-3-50540,Cc1csc(-c2cc(F)c(F)c(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c2)n1,KJXRFVJSOPBTBM-UHFFFAOYSA-N,3,1,0.275,96,315,456.428,5.501,5,0.334,0.7,0.328,0.22646665752861353,0.40173737235282025,0.9463881844972929,0.9333750257007745,0.6269918100198753
EOS-3-50541,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(-c5nc(C(F)F)cs5)nn4)n23)cc1,RYVXEQUNDRHRDF-UHFFFAOYSA-N,3,1,0.33,52,295,491.487,3.597,6,0.382,0.78,0.999,0.14339318758138578,0.15303954492495375,0.11244945514358166,0.15578096086628743,0.14116578712905214
EOS-3-50542,Fc1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1ccc(Cl)nn1,LETWABCIVSZEPL-UHFFFAOYSA-N,3,1,0.479,88,490,483.841,4.336,5,0.355,0.64,1.0,0.9609348228359947,0.9564800219313275,0.8577890480433144,0.8856486875471181,0.9152131450894386
EOS-3-50543,Cc1nc(-c2ccnc(F)c2)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)s1,RTRKIYMMULBHEB-UHFFFAOYSA-N,3,1,0.593,97,232,452.902,4.99,5,0.349,0.63,1.0,0.9316273730381742,0.9199592214378727,0.5930539373586458,0.6603214310191213,0.7762404907134535
EOS-3-50544,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(C(F)F)cn3)n12,RQBUKENSYVLZLX-UHFFFAOYSA-N,3,1,0.584,68,255,406.755,3.89,4,0.5,0.69,1.0,0.8492049893770133,0.9534815982454938,0.9272154067575903,0.9204732369268728,0.9125938078267425
EOS-3-50546,COc1cc(-c2ccnn2C)ccc1-c1nnc2cncc(OCCc3cc(F)cnc3Cl)n12,JZSJEKYKWBYLGH-UHFFFAOYSA-N,3,1,0.511,15,771,479.903,4.009,5,0.326,0.61,1.0,0.629309163182784,0.5463042286340896,0.6695308751970392,0.5896785689808787,0.6087057089986978
EOS-3-50547,Fc1cc(-c2nnc3cncc(OCc4cnc(Br)c(F)c4)n23)ccc1-c1nc[nH]n1,VKYXVBFFUFMBNM-UHFFFAOYSA-N,3,1,0.5,47,164,485.252,3.591,5,0.379,0.59,1.0,0.8831899801247344,0.7638013158796518,0.7479782057432663,0.722380234391063,0.7793374340346788
EOS-3-50548,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)cc1,DTTWNBUSWYIJNR-UHFFFAOYSA-N,3,1,0.333,30,289,406.409,3.694,6,0.44,0.76,1.0,0.056661640737440885,0.052695154547323694,0.3331334384209444,0.37631930642176686,0.20470238503186894
EOS-3-50549,c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(-c6ccsc6)c5)n34)cc2)nc1,BPGSFUMBNOVKCC-UHFFFAOYSA-N,3,1,0.5,41,120,462.538,5.556,6,0.323,0.73,1.0,0.677609485299157,0.5415667192104722,0.69942944280721,0.6572459050099376,0.6439628880816942
EOS-3-50550,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4cccc(C(F)F)n4)n23)nc1,SYLLIBGLUSMHHA-UHFFFAOYSA-N,3,1,0.278,70,179,482.458,4.043,6,0.362,0.57,0.708,0.06361798368857514,0.17712973750942362,0.5135443081351518,0.46772839421561235,0.3055051058871907
EOS-3-50551,COc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,MGYITFFKWWIKQA-UHFFFAOYSA-N,3,1,0.479,75,262,478.875,3.461,5,0.324,0.57,1.0,0.8171818244123089,0.7509594955794668,0.36287780138441506,0.3245750805290933,0.5638985504763211
EOS-3-50552,FC(F)c1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)ncn2)cn1,VQJPGZZTAAQTDV-UHFFFAOYSA-N,3,1,0.417,46,238,471.88,4.875,5,0.348,0.61,0.679,0.6557980947159208,0.6806079089849908,0.8018641628401069,0.766816873415119,0.7262717599890344
EOS-3-50553,CCc1nc(-c2nnc3cncc(OCc4cncs4)n23)ccc1-c1nc(C)c(C)n1CC,ZBLWOLBJUOMWEK-UHFFFAOYSA-N,3,1,0.421,31,690,460.567,4.284,5,0.358,0.52,0.369,0.27211979987663626,0.13066273730381742,0.01485504763210198,0.007376122267150983,0.10625342676992666
EOS-3-50554,c1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6nnn[nH]6)c5)n34)cc2)n[nH]1,XRPBZJZLSUJOJI-UHFFFAOYSA-N,3,1,0.268,98,882,409.377,1.213,6,0.432,0.63,1.0,0.11884894798163251,0.1239377013227332,0.08520663422657802,0.1069837571105476,0.10874426016037284
EOS-3-50555,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cn(C)nc5C)cn4)n23)cc(-c2cnoc2)n1,JNWQUSZBQLADSX-UHFFFAOYSA-N,3,1,0.39,6,843,480.492,3.228,6,0.349,0.56,0.981,0.19063977794530876,0.09804845452676307,0.14749674456856968,0.0817027619765609,0.1294719347543006
EOS-3-50556,Cc1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc7cnccc7n6)cn5)n34)cn2)n1,OFKDYAUYWDUGFS-UHFFFAOYSA-N,3,1,0.27,86,790,486.459,3.007,7,0.358,0.63,1.0,0.21259680625042834,0.1684857103694058,0.07160235761770954,0.08337331231581112,0.1340145466383387
EOS-3-50557,Clc1ccc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ncn4)n23)c(Cl)c1,UMORTMQUUMVKSV-UHFFFAOYSA-N,3,1,0.387,13,971,470.707,5.396,5,0.325,0.73,1.0,0.5405558220821054,0.6515403330820368,0.8721215132615996,0.9268213282160236,0.7477597491604413
EOS-3-50558,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6F)cc5)n34)n2)n1,WGQSGBSFVOBVGF-UHFFFAOYSA-N,3,1,0.329,3,74,482.91,5.108,6,0.347,0.74,1.0,0.24545952984716607,0.4111952573504215,0.7617109862243849,0.8126584881091083,0.5577560653827702
EOS-3-50559,COc1ncc(Oc2cncc3nnc(-c4cc(C#N)cc(-c5ccc(F)c(F)c5)c4)n23)cc1F,CKZWEJHWJCUPAI-UHFFFAOYSA-N,3,1,0.473,13,236,474.402,4.943,5,0.356,0.61,1.0,0.9201134260845727,0.9199677883626893,0.9698872592694127,0.952187992598177,0.9405391165787129
EOS-3-50560,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cccc(C)n1,SFSROQQZDXWMCY-UHFFFAOYSA-N,3,1,0.424,49,501,473.924,4.235,5,0.324,0.58,1.0,0.6895346446439586,0.5742752381605098,0.39643444589130283,0.31557124254677543,0.4939538928106366
EOS-3-50561,FC(F)c1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnc6)nc5)n34)cc2)n1,MKRJHVHWHQNLGN-UHFFFAOYSA-N,3,1,0.306,69,57,478.466,5.31,6,0.331,0.7,1.0,0.2801641422794874,0.3685319717634158,0.8321825097662943,0.7741158933589198,0.5637486292920293
EOS-3-50562,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(C(F)F)n5)ccn4)n23)cn1,GQBWIGLEVJMHJJ-UHFFFAOYSA-N,3,1,0.489,27,69,482.401,4.493,5,0.313,0.72,0.998,0.6923360290590089,0.7725053114933863,0.8502244534301967,0.7223888013158797,0.7593636488246178
EOS-3-50563,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(C(F)F)c4)n23)cc1Cl,SMCGTGKKIYZPLC-UHFFFAOYSA-N,3,1,0.409,66,225,419.262,5.935,4,0.412,0.77,1.0,0.5782074566513604,0.7281800424919471,0.9936604756356658,0.9968388047426496,0.8242216948804058
EOS-3-50564,Cc1ncc(Cc2cncc3nnc(-c4cc(-c5ccc(C(C)(O)CO)nc5)cnn4)n23)s1,XWWRCCFUUBAHNF-UHFFFAOYSA-N,3,1,0.283,85,60,460.523,2.199,5,0.391,0.47,0.768,0.10569871838804742,0.1491158933589199,0.30361181550270716,0.17188677952162293,0.18257830169282432
EOS-3-50565,COc1cc(-c2cc(C)ncn2)ccc1-c1cncc2nnc(-c3ccc(OC(F)F)c(F)c3)n12,JKAPGMNSYKFTOH-UHFFFAOYSA-N,3,1,0.355,96,697,478.434,4.973,5,0.34,0.67,1.0,0.6182064286203824,0.7554314303337674,0.9492666712356932,0.8922709204304023,0.8037938626550614
EOS-3-50566,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cnn(Cc5ccc(F)c(Cl)c5)c4)n23)cc1,YPGXMPWWCOQHMX-UHFFFAOYSA-N,3,1,0.351,3,42,484.926,4.896,6,0.348,0.75,1.0,0.21525255294359535,0.3343413748200946,0.8056678774587074,0.8188438078267425,0.543526403262285
EOS-3-50567,CC(C)c1ccc(COc2cncc3nnc(-c4cncnc4-c4ccc(F)c(Cl)c4)n23)nn1,IGXXSOBGPZTTAP-UHFFFAOYSA-N,3,1,0.457,4,534,476.903,4.533,5,0.352,0.63,0.995,0.6096652045781646,0.6708587485436228,0.5930625042834624,0.5382855870056884,0.6029680111027345
EOS-3-50568,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncc(-c5nncs5)s4)n23)cc1,MKRUKZIBPSVMIM-UHFFFAOYSA-N,3,1,0.483,71,117,473.547,3.746,6,0.36,0.54,1.0,0.36716983071756565,0.3102854499348914,0.09946199712151327,0.09656637653347955,0.21837091357686245
EOS-3-50569,N=c1ncc(-c2cnnc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)c(F)[nH]1,ANWRMDYQHQCOMP-UHFFFAOYSA-N,3,1,0.39,53,466,431.395,1.001,5,0.374,0.48,1.0,0.48971112329518196,0.31029401685970803,0.18249263244465766,0.15853951065725447,0.2852593208142005
EOS-3-50570,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc(-c2cccnc2)c1,OUKYWAWPNPALRQ-UHFFFAOYSA-N,3,1,0.636,57,13,466.303,5.878,5,0.324,0.81,1.0,0.9782228771160304,0.9823778356521143,0.9744191624974299,0.9829860873140978,0.9795014906449181
EOS-3-50571,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5-c5ccccc5)n34)c(F)c2)cn1,UQQBBSHHFMWQFQ-UHFFFAOYSA-N,3,1,0.35,93,107,464.479,5.804,6,0.331,0.77,1.0,0.22351106846686314,0.39670858748543625,0.939834487012542,0.947519018573093,0.6268932903844836
EOS-3-50572,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)cc5Cl)n34)nc2)n1,UYJDOUCSMDOTDI-UHFFFAOYSA-N,3,1,0.384,27,412,467.867,5.279,5,0.35,0.7,1.0,0.6209735453361661,0.7145329312589953,0.862389486669865,0.8147659516140087,0.7531654787197588
EOS-3-50573,Clc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc(-c2cnc(Cl)nc2)n1,GDVPIDXNPXYDDS-UHFFFAOYSA-N,3,1,0.518,65,76,465.304,3.967,5,0.274,0.59,1.0,0.7959872524158728,0.8394129943115619,0.5542714687135906,0.5986909738880132,0.6970906723322596
EOS-3-50574,COc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3cc(Cl)ncc3F)n12,MEMPNFBAQMHXTH-UHFFFAOYSA-N,3,1,0.43,97,666,468.901,4.69,5,0.334,0.64,1.0,0.7931858680008225,0.7509680625042835,0.752732849016517,0.6838205057912412,0.745176821328216
EOS-3-50575,COc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCc3nccc(Cl)c3F)n12,RAMHSRKVAPRYGP-UHFFFAOYSA-N,3,1,0.432,59,710,481.85,4.163,5,0.333,0.64,1.0,0.6955828935645261,0.7767202385031869,0.7303046398464808,0.6924045644575423,0.7237530840929339
EOS-3-50576,Cn1nccc1-c1nncc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5F)cc4)n23)n1,AOSBWLVKIMBTCU-UHFFFAOYSA-N,3,1,0.313,3,186,483.898,4.503,6,0.364,0.66,1.0,0.20442395997532725,0.3154427386745254,0.6383644027140017,0.727666027002947,0.4714742820917004
EOS-3-50577,Cc1ncc(F)cc1-c1ccc(-c2cncc3nnc(-c4cc(F)c(Cl)cc4F)n23)nc1,LBMXFGHLXSAJFN-UHFFFAOYSA-N,3,1,0.309,45,575,452.827,5.294,5,0.348,0.6,1.0,0.43936330614762525,0.6660355698718388,0.9648927421012953,0.9705383455554794,0.7602074909190596
EOS-3-50578,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)sn2)n1C,WCEXHRJIFUPMII-UHFFFAOYSA-N,3,1,0.472,81,363,481.545,3.993,6,0.351,0.61,1.0,0.37649921184291685,0.25890960180933453,0.061450551709958195,0.07828455897471044,0.19378598108422998
EOS-3-50579,Cn1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)n5)c(F)n4)n23)c1,WHAJXIKJEYIWOG-UHFFFAOYSA-N,3,1,0.396,31,814,435.398,2.276,5,0.295,0.53,0.976,0.589875608251662,0.45128846549242685,0.2629617572476184,0.23434822835994792,0.38461851483791376
EOS-3-50580,FC(F)c1cc(Cl)ccc1-c1nnc2cncc(Cc3cc(Cl)ncn3)n12,OZQATLHTEABEJK-UHFFFAOYSA-N,3,1,0.35,68,225,407.211,4.417,4,0.469,0.73,1.0,0.4280378315399904,0.6318792406277842,0.9499263244465767,0.9665204578164622,0.7440909636077033
EOS-3-50581,Cc1cccc(-c2ncccc2-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)n4)n23)n1,BYARKOBPMZZXGX-UHFFFAOYSA-N,3,1,0.333,94,809,475.491,4.139,6,0.366,0.5,0.821,0.2587896648619012,0.32512336371736,0.37024535672674935,0.3732095127133164,0.3318419745048317
EOS-3-50582,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)c(F)c4)n23)c1,RDLDNGDZBDWFHR-UHFFFAOYSA-N,3,1,0.536,57,962,451.383,4.989,5,0.278,0.69,1.0,0.9688849290658625,0.9592899732711946,0.9858817079021315,0.9860873140977314,0.97503598108423
EOS-3-50583,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5Cl)n34)cc2F)n1C,GNVDQXHIKOMNMZ-UHFFFAOYSA-N,3,1,0.5,16,772,485.31,4.315,5,0.366,0.67,1.0,0.7260725789870468,0.7424097046124323,0.6146768555959153,0.6951888150229594,0.6945869885545884
EOS-3-50584,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nc1-c1ccsc1,JJWUOMOWQVYPHX-UHFFFAOYSA-N,3,1,0.435,6,297,482.504,4.485,6,0.342,0.71,1.0,0.7441316565005826,0.6904427386745254,0.34781714755671306,0.35356555410869717,0.5339892742101295
EOS-3-50585,FC(F)(F)c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc(-c2ccccn2)n1,HSWNDLKURYYGFX-UHFFFAOYSA-N,3,1,0.489,24,199,484.829,4.29,5,0.364,0.63,1.0,0.8042800356384072,0.8325423206085943,0.8593053937358646,0.7716828867109862,0.8169526591734632
EOS-3-50586,CCCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)cn1,NNLMZJYVAMRQNF-UHFFFAOYSA-N,3,1,0.291,38,57,464.558,5.25,6,0.335,0.64,1.0,0.0752861352888767,0.07868720444109382,0.32558597765746006,0.3155798094715921,0.19878478171475567
EOS-3-50587,Cc1nccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccccc5)n34)s2)n1,ZDBQIPCLTKTVPI-UHFFFAOYSA-N,3,1,0.315,32,126,447.527,5.347,6,0.362,0.6,0.951,0.07952676307312727,0.12030532520046604,0.3628863683092317,0.39218525118223563,0.23872592694126515
EOS-3-50589,Fc1ccccc1-c1ccnc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,WOYUYSHLTVCJNT-UHFFFAOYSA-N,3,1,0.455,57,560,451.383,4.989,5,0.278,0.7,1.0,0.840029812898362,0.8213282160235762,0.9804160098690974,0.9816325131930642,0.905851637996025
EOS-3-50590,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(Oc3cc(Cl)ccc3Cl)n12,RYBYEDWLSAVWBW-UHFFFAOYSA-N,3,1,0.477,57,236,452.276,6.092,5,0.33,0.82,1.0,0.8515437598519635,0.9335292303474745,0.9605236104447947,0.9763638544308135,0.9304901137687616
EOS-3-50591,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)cn2)cc1,VKGPGBSGCNESFB-UHFFFAOYSA-N,3,1,0.362,3,668,406.409,3.694,6,0.44,0.76,1.0,0.056670207662257555,0.05643033376739086,0.42153553560413953,0.4362363785895415,0.24271811390583237
EOS-3-50592,Cc1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,KXVHQAMIBWBNRO-UHFFFAOYSA-N,3,1,0.512,63,536,401.43,2.361,5,0.528,0.9,1.0,0.3901977246247687,0.12394626824754985,0.06957199643615927,0.05919745048317456,0.16072835994791312
EOS-3-50593,Cc1csc(-c2cc(-c3nnc4cncc(-c5ncnc(-c6ccccc6F)n5)n34)ccc2C)n1,MSUURLBHGDYUCF-UHFFFAOYSA-N,3,1,0.345,3,757,480.532,5.19,6,0.343,0.72,1.0,0.17340312521417311,0.41120382427523816,0.36289493523404837,0.3826416969364677,0.33253589541498185
EOS-3-50594,Fc1cccc(CN=c2cccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)[nH]2)c1,WJBZNCRSMITXHV-UHFFFAOYSA-N,3,1,0.479,79,640,462.435,4.628,5,0.399,0.61,0.373,0.43446302515249124,0.6181892947707491,0.9523593310945103,0.9369645671989583,0.7354940545541773
EOS-3-50595,Clc1cnc(-c2ccc(-c3nnc4cncc(Cc5nncs5)n34)cn2)nc1,ZIENNFBPLOKPCG-UHFFFAOYSA-N,3,1,0.363,85,260,407.85,2.739,5,0.447,0.66,1.0,0.1761531080803235,0.27436433417860323,0.06333527516962512,0.1318878075526009,0.1614351312452882
EOS-3-50596,Cc1cccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,PVMLJEMNYZFLQV-UHFFFAOYSA-N,3,1,0.419,63,108,401.43,2.361,5,0.528,0.91,1.0,0.2642125282708519,0.09805702145157974,0.04656123637858954,0.04403399355767254,0.11321619491467344
EOS-3-50597,N#Cc1cc(F)c(Cl)c(Oc2cncc3nnc(-c4ccc(-c5ccsc5)o4)n23)c1,MCOAYFJQCUZKIA-UHFFFAOYSA-N,3,1,0.362,13,971,437.843,5.569,5,0.365,0.69,1.0,0.737903502158865,0.5605081899801247,0.9412565965321088,0.9435782331574258,0.7958116304571311
EOS-3-50598,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)c(F)cn1,MRZWGGPULXGETP-UHFFFAOYSA-N,3,1,0.443,51,969,468.374,3.833,5,0.274,0.65,1.0,0.8350181618806113,0.9012490576382701,0.8707079706668495,0.8147745185388253,0.8554374271811391
EOS-3-50599,COCCOc1ccc(Cl)cc1-c1nnc2cncc(-c3cc(-c4cnn(C)c4)ccc3F)n12,WXQIKBZGDVWWNQ-UHFFFAOYSA-N,3,1,0.349,61,46,478.915,4.677,5,0.316,0.72,1.0,0.29663833870193956,0.3873449386608183,0.857797614968131,0.8245922143787267,0.5915932766774039
EOS-3-50600,Cn1cnnc1-c1nc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)c(Cl)cc1F,FUWSGVKTIBFKTP-UHFFFAOYSA-N,3,1,0.33,70,387,484.886,3.898,6,0.37,0.61,0.387,0.19607120827907615,0.3103025837845247,0.26297032417243504,0.3891611267219519,0.28962631073949696
EOS-3-50601,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5nnc(C(F)F)s5)nc4)n23)cn1,QRTILIHJAZQBHI-UHFFFAOYSA-N,3,1,0.441,55,283,474.403,3.895,5,0.27,0.71,1.0,0.7587296963881845,0.7852957302446714,0.6415855664450689,0.5986995408128298,0.6960776334726887
EOS-3-50602,N#Cc1ccc(-c2cncc(COc3cncc4nnc(-c5ccccn5)n34)c2)nc1,CHDUTKCWRDPKAZ-UHFFFAOYSA-N,3,1,0.524,6,348,406.409,3.094,5,0.437,0.73,1.0,0.5642776368994585,0.4292115002398739,0.560551024604208,0.5116338839010349,0.5164185114111438
EOS-3-50603,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)ccc1-c1cncc(C)n1,IKGGOOUWWMHFAC-UHFFFAOYSA-N,3,1,0.547,46,717,475.915,4.886,5,0.345,0.63,0.719,0.704535329997944,0.7003375368377767,0.6058015214858474,0.5987081077376465,0.6523456240148037
EOS-3-50604,Cn1nc(-c2cccc(F)c2F)cc1Oc1cncc2nnc(-c3ccc(-c4ccnn4C)cn3)n12,CBTFEYHXAITJAM-UHFFFAOYSA-N,3,1,0.333,67,622,485.458,4.058,6,0.363,0.7,1.0,0.42320608594338976,0.4557946679459941,0.6115670618874649,0.5514443835240902,0.5105030498252348
EOS-3-50605,Fc1cccnc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)nc1F,NSMKOOZMRWAOQJ-UHFFFAOYSA-N,3,1,0.398,13,236,471.254,5.626,5,0.317,0.77,1.0,0.790230278939072,0.8646939894455486,0.9306593105338907,0.9579021314508944,0.8858714275923514
EOS-3-50606,Cn1cnnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nn1,OIYUHTBBOHVIEF-UHFFFAOYSA-N,3,1,0.396,67,789,486.887,2.618,6,0.357,0.66,1.0,0.45115139469536014,0.44709067233225963,0.06334384209444179,0.07829312589952711,0.2599697587553972
EOS-3-50607,Cn1nnnc1-c1cncc2nnc(-c3c(-c4ccc(F)cn4)nc(CF)n3C)n12,IVBKKMCTIURDQW-UHFFFAOYSA-N,3,1,0.256,50,105,409.364,1.386,5,0.437,0.63,0.975,0.09332807895277911,0.16059557261325474,0.007667397710917689,0.019284147762319237,0.0702187992598177
EOS-3-50608,N#Cc1ccn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)c(F)c5)n34)n2)n1,MKJSQQIUAIRTOE-UHFFFAOYSA-N,3,1,0.326,3,991,476.45,4.856,6,0.361,0.61,1.0,0.05475978342814063,0.305111027345624,0.8650880679871154,0.8856572544719348,0.5276540333082037
EOS-3-50609,Fc1cccc(F)c1-c1ccc(-c2cncc3nnc(-c4cnccc4-c4ccccc4)n23)nc1,JBZXZFFELYPBCW-UHFFFAOYSA-N,3,1,0.351,30,737,462.463,5.861,6,0.328,0.78,1.0,0.3441248029607292,0.45580323487081076,0.9199249537386059,0.9404170379000754,0.6650675073675554
EOS-3-50610,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnc5)c(Cl)c4)n23)cc1Cl,GJFMHMZNBKNTKE-UHFFFAOYSA-N,3,1,0.649,13,15,452.276,6.092,5,0.33,0.81,1.0,0.9391062984031252,0.9321585223768076,0.97519018573093,0.9860958810225482,0.9581377218833527
EOS-3-50611,COc1ncc(F)cc1-c1nc(-c2cncc3nnc(-c4ccc(F)cc4)n23)n[nH]1,YWMFZKBPQWBPQU-UHFFFAOYSA-N,3,1,0.375,22,844,406.356,2.925,5,0.489,0.69,0.998,0.4511599616201768,0.6951802480981427,0.4215441025289562,0.4583647453909944,0.5065622644095675
EOS-3-50612,Cc1[nH]ncc1-c1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5cnn(C)c5)c4)n23)n1,KOJLBJIRJSVBAT-UHFFFAOYSA-N,3,1,0.469,4,394,481.495,4.003,6,0.383,0.6,0.999,0.44383524090192583,0.5187187307244192,0.5835617846617778,0.49186142142416556,0.509494294428072
EOS-3-50613,Cc1cnc(-c2c(F)cc(-c3nnc4cncc(-c5ccc(Cl)cc5Cl)n34)cc2F)nc1,PBNPJHNAKYQYMJ-UHFFFAOYSA-N,3,1,0.375,45,575,469.282,5.809,5,0.334,0.76,1.0,0.4438438078267425,0.737723596737715,0.9458741690082928,0.9696131176752792,0.7742636728120074
EOS-3-50614,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1cnc(C)cn1,RTKYHKWYSJGCDX-UHFFFAOYSA-N,3,1,0.412,46,717,477.45,4.51,5,0.332,0.61,0.26,0.652825371804537,0.6612980604482215,0.7433092317181824,0.6748081008841066,0.6830601912137618
EOS-3-50615,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncc(Cl)n5)c4)n23)cc1F,YJTVEUPUQHPCNL-UHFFFAOYSA-N,3,1,0.458,16,788,490.886,3.374,5,0.384,0.72,1.0,0.7200500308409293,0.5463127955589062,0.5542800356384072,0.47967925433486397,0.5750805290932767
EOS-3-50616,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1nnc2cc[nH]c2n1,KZMZHTRPOXVMOO-UHFFFAOYSA-N,3,1,0.474,4,554,478.9,4.558,6,0.387,0.58,1.0,0.7587382633130012,0.8704423959975327,0.5439568912343226,0.6315022959358508,0.7011599616201768
EOS-3-50617,Clc1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)cn4)n23)c(-c2ccccc2)c1,LEMQZLCCLWLFNQ-UHFFFAOYSA-N,3,1,0.34,93,220,475.943,5.555,6,0.325,0.76,1.0,0.33713419231032826,0.45581180179562747,0.7330374888629977,0.8079381125351244,0.5834803988760194
EOS-3-50618,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnncn5)c4)n23)c1F,UMYBPPCJIAHFFW-UHFFFAOYSA-N,3,1,0.528,37,125,480.866,3.9,5,0.337,0.57,0.986,0.9507487492289768,0.9351569460626413,0.7455794667945994,0.7591323418545679,0.8476543759851964
EOS-3-50619,COc1cc(-c2cncs2)ccc1-c1cncc2nnc(-c3nncnc3-c3ccc(F)cc3)n12,IFIPVKKYJXZWKV-UHFFFAOYSA-N,3,1,0.298,3,498,482.504,4.582,6,0.352,0.65,0.994,0.3016499897196902,0.35380542800356385,0.5203978479884861,0.5419093962031389,0.4294406654787198
EOS-3-50620,N#Cc1ccnc(-c2ccc(Cl)c(Oc3cncc4nnc(-c5ccc(Cl)cc5F)n34)n2)n1,ADRLNMZPIJDCIK-UHFFFAOYSA-N,3,1,0.43,13,10,479.262,4.753,5,0.363,0.59,0.985,0.8794205332054006,0.9491895689123432,0.7910784044959221,0.8481169899252964,0.8669513741347407
EOS-3-50621,Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(F)c5)cc4C)n23)cn1,SPTLUDQRQKCXRB-UHFFFAOYSA-N,3,1,0.396,96,586,411.44,5.402,5,0.396,0.83,1.0,0.44637105064765953,0.5944503461037626,0.8748543622781166,0.8444760468782126,0.6900379514769379
EOS-3-50622,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cc(-c5cncc(F)c5C)ncc4Cl)n23)cc1,KSLKJTIULABXQS-UHFFFAOYSA-N,3,1,0.426,13,451,489.898,4.501,5,0.387,0.78,1.0,0.809574395175108,0.6318878075526009,0.7201185662394627,0.6141285724076485,0.693927335343705
EOS-3-50623,Cn1c(Cl)nnc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1Cl,LRPYUBJPLPHPAO-UHFFFAOYSA-N,3,1,0.494,73,196,488.726,3.916,5,0.366,0.75,1.0,0.6012353505585635,0.772513878418203,0.3182869577136591,0.49809814269069974,0.5475335823452814
EOS-3-50624,Cc1nc(-c2cncc3nnc(-c4ccc(F)cc4)n23)nc(C(O)c2ccnc(Cl)c2Cl)n1,ZWUQZUTWUYPNJJ-UHFFFAOYSA-N,3,1,0.383,22,316,483.294,3.874,5,0.383,0.54,0.856,0.38100541429648416,0.622447056404633,0.6994380097320266,0.7618223562470016,0.6161782091700364
EOS-3-50625,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)c1,UXCHNRWAODRWDU-UHFFFAOYSA-N,3,1,0.549,35,352,447.951,5.498,5,0.321,0.69,1.0,0.9187598519635392,0.9082910698375711,0.7278287985744637,0.7435748063874992,0.8246136316907683
EOS-3-50626,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C5CC(F)CO5)cn4)n23)cn1,HAONESIKTDCRLT-UHFFFAOYSA-N,3,1,0.345,68,66,406.381,1.542,5,0.539,0.57,0.648,0.2558769104242341,0.2538037146186005,0.2311099307792475,0.20528065245699403,0.23651780206976902
EOS-3-50627,CC#Cc1cncc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)cnn2)n1,XEFZKBJIDVDGPS-UHFFFAOYSA-N,3,1,0.382,55,778,457.404,2.662,5,0.29,0.53,0.857,0.6744140223425399,0.5988965800836132,0.5835703515865944,0.5116424508258516,0.5921308512096498
EOS-3-50628,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CC(F)(F)C5)c(F)c4)n23)nc1,FSGSKPUGBDEPRQ-UHFFFAOYSA-N,3,1,0.33,74,542,492.425,2.274,6,0.375,0.77,0.999,0.2317695839901309,0.3685405386882325,0.13869851278185183,0.25511445411555067,0.24853077239394147
EOS-3-50629,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5c[nH]nn5)c4)n23)cc1F,LFOKNFPJCNKMDO-UHFFFAOYSA-N,3,1,0.56,16,391,406.356,2.829,5,0.478,0.69,1.0,0.7732249331779865,0.7099067918579947,0.7757007744500034,0.7591409087793846,0.7544933520663423
EOS-3-50630,COc1ncc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1cncnc1,ACLYDUSURIKMLO-UHFFFAOYSA-N,3,1,0.459,65,657,478.875,3.461,5,0.347,0.53,1.0,0.7902388458638887,0.7725224453430196,0.6086628743746145,0.5451391268590227,0.6791408231101363
EOS-3-50631,Fc1cnc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1Cl,XNUWXOLNZGPICU-UHFFFAOYSA-N,3,1,0.667,90,400,404.232,4.254,4,0.498,0.81,1.0,0.9821636625316976,0.9879549037077651,0.8919196765129189,0.9369731341237749,0.9497528442190392
EOS-3-50632,FC(F)c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)cc2Cl)nn1,KLQXSKYHQRPBQY-UHFFFAOYSA-N,3,1,0.312,45,315,470.27,5.555,5,0.342,0.68,1.0,0.3466006442327462,0.5369834144335549,0.9377784250565417,0.957370982112261,0.6946833664587759
EOS-3-50633,CCn1c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nc(C)c1C,XUGNWRABBNLBSC-UHFFFAOYSA-N,3,1,0.282,63,108,402.462,2.579,5,0.55,0.83,0.997,0.05156432047152354,0.03515865944760469,0.003658076896717154,0.0025272428209170035,0.023227074909190595
EOS-3-50634,CCn1cc(-c2ccccc2-c2cncc3nnc(-c4ccc(-c5cccs5)nc4)n23)cn1,UBGOUCXWZDNLFZ-UHFFFAOYSA-N,3,1,0.303,32,945,449.543,5.465,6,0.349,0.66,1.0,0.1134003837982318,0.12748440819683365,0.45799636762387774,0.46448152971009526,0.29084067233225963
EOS-3-50635,OCc1cc(-c2cccnc2F)cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c1,QUPUFBNOTPBUEG-UHFFFAOYSA-N,3,1,0.474,97,91,480.862,4.251,5,0.363,0.64,1.0,0.9006836406003701,0.8290898499074772,0.9451802480981427,0.9318329792337743,0.901696679459941
EOS-3-50636,COc1ncc(C)nc1-c1cccc(CCOc2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)n1,HVXIXYMBSHHYLR-UHFFFAOYSA-N,3,1,0.45,87,579,483.492,2.076,5,0.346,0.58,1.0,0.26664553491878557,0.07171372764032623,0.033530943732437805,0.009937632787334658,0.09545695976972107
EOS-3-50637,COc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5nnc(CCF)s5)c4)n23)c1,UJVFHLDIVWRCEB-UHFFFAOYSA-N,3,1,0.485,75,241,478.513,3.242,5,0.315,0.61,0.997,0.4945771365910493,0.4470992392570763,0.06958056336097594,0.06364368446302515,0.2687251559180317
EOS-3-50638,Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NCc5cnc(Cl)cn5)nc4)n23)ccc1Cl,RNAKHAJOHQCTNY-UHFFFAOYSA-N,3,1,0.349,82,204,491.342,4.189,5,0.393,0.79,1.0,0.36248372284284835,0.3635117538208485,0.48915427318209853,0.5215800836131862,0.43418245836474545
EOS-3-50639,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnn(-c5cnccn5)c4)n23)cc1Cl,PJMRCNMWTOXYDO-UHFFFAOYSA-N,3,1,0.462,56,815,485.899,2.795,6,0.35,0.66,1.0,0.362492289767665,0.4601380988280447,0.227357617709547,0.24026797340826536,0.3225639949283805
EOS-3-50640,C#Cc1ncc(COc2cncc3nnc(-c4ccnc(-c5cncn5C)c4)n23)cn1,VBSGLPNSIIAZPW-UHFFFAOYSA-N,3,1,0.461,7,624,409.413,1.937,5,0.405,0.63,1.0,0.4030052772256871,0.19894112809265985,0.23111849770406415,0.14571482420670276,0.24469493180727847
EOS-3-50641,N=c1[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc2F)ns1,CGPFGGAKQORARY-UHFFFAOYSA-N,3,1,0.511,37,490,468.905,3.531,5,0.393,0.53,1.0,0.7137019395517785,0.7189877321636625,0.4613546021520115,0.5183931875813858,0.6031093653622095
EOS-3-50642,Fc1cncc(F)c1COc1cncc2nnc(-c3ccnc(-c4nnco4)c3)n12,FJRLKGJGIWNSQO-UHFFFAOYSA-N,3,1,0.494,55,980,408.328,2.488,5,0.432,0.65,1.0,0.720058597765746,0.4865841957370982,0.5065451305599342,0.4888544308135152,0.5505105887190734
EOS-3-50643,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cc4Cl)n23)cc1F,XAKULVUVENYVDS-UHFFFAOYSA-N,3,1,0.453,16,788,490.886,3.374,5,0.384,0.73,1.0,0.6154650126790487,0.5094578849976013,0.5508789664861902,0.495022616681516,0.5427061202110891
EOS-3-50644,c1c[nH]c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)nc2)n1,KGTXLIRXCZCSIL-UHFFFAOYSA-N,3,1,0.305,86,812,408.385,2.688,6,0.467,0.63,0.997,0.15976458090603796,0.14519224179288603,0.16008155712425468,0.16902542663285586,0.1585159516140086
EOS-3-50645,CC1(NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5Cl)n34)cn2)CCCCC1,QFFMCQQDDUECQF-UHFFFAOYSA-N,3,1,0.356,0,169,489.967,4.058,5,0.435,0.75,1.0,0.24270098005619903,0.23861455691864847,0.014281063669385238,0.072544719347543,0.14203532999794394
EOS-3-50646,Cc1cnc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)s1,BHDBXNYHIJCFHB-UHFFFAOYSA-N,3,1,0.461,55,390,440.941,4.912,5,0.361,0.58,1.0,0.5458159139195394,0.7237166746624631,0.3781012267836337,0.395140840243986,0.5106936639024056
EOS-3-50647,Fc1ccc(-c2cncnc2COc2cncc3nnc(-c4ccc(-c5ncccn5)s4)n23)nc1,NJPJZXLKIPAJIL-UHFFFAOYSA-N,3,1,0.366,80,34,483.492,3.88,6,0.348,0.64,1.0,0.5198923994243027,0.4558203687204441,0.25262147899390036,0.2610684668631348,0.37235067850044545
EOS-3-50648,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nnc(Cl)cc5Cl)n34)cnn2)nc1,ZFLKYQAOECJFPK-UHFFFAOYSA-N,3,1,0.427,53,778,484.282,3.501,5,0.357,0.59,0.996,0.7292423411692139,0.7893907203070386,0.3817079021314509,0.5451476937838393,0.6113721643478857
EOS-3-50649,Cc1ccc(-c2nnc3cncc(-c4cc(-c5cnnc(-c6ccc(F)c(F)c6)c5)ccn4)n23)cn1,PCTUDKBAAULDEM-UHFFFAOYSA-N,3,1,0.343,32,572,478.466,4.959,6,0.353,0.6,1.0,0.3532571448152971,0.46459289973271195,0.8532485778904805,0.8444846138030293,0.6288958090603797
EOS-3-50650,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)cc4)cnn3)n12,ONRDIOIFFKLZCI-UHFFFAOYSA-N,3,1,0.5,19,207,482.306,4.711,5,0.346,0.66,0.999,0.835026728805428,0.817464532931259,0.8388047426495785,0.9003495305325201,0.8479113837296963
EOS-3-50651,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnnc(-c6cncnn6)c5)n34)cn2)n(C)n1,MMWOGYJSXBADMZ-UHFFFAOYSA-N,3,1,0.424,71,502,478.48,2.116,6,0.346,0.52,0.993,0.36037625933794804,0.1568346926187376,0.09947056404632992,0.0705229250908094,0.17180111027345624
EOS-3-50652,Clc1nccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)cc2)n1,AZJGSJXJRZOOEI-UHFFFAOYSA-N,3,1,0.342,69,958,450.889,5.829,6,0.314,0.77,1.0,0.27212836680145297,0.32513193064217666,0.8483825645946131,0.8681293262970324,0.5784430470838189
EOS-3-50653,Cc1ncc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4F)n23)c(-c2ccccc2)n1,IPKOWQZPPUWJOG-UHFFFAOYSA-N,3,1,0.307,64,27,478.466,4.959,6,0.353,0.62,1.0,0.3095144267013913,0.35883421287094786,0.5897642382290453,0.6689740250839559,0.4817717257213351
EOS-3-50654,Fc1cccc(-c2nc(-c3ccccc3)c(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)[nH]2)c1,MXQWTYAQDSDCPF-UHFFFAOYSA-N,3,1,0.314,30,737,467.895,5.703,6,0.359,0.75,1.0,0.21526111986841204,0.4512970324172435,0.7592351449523679,0.864993831814132,0.5726967822630389
EOS-3-50655,Cc1nc(Cl)cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)n1,DINJMCPBMPPYJX-UHFFFAOYSA-N,3,1,0.427,51,969,466.292,3.628,5,0.283,0.58,1.0,0.6380902611198684,0.7893992872318553,0.33655164142279487,0.3857000890960181,0.5374353197176341
EOS-3-50656,CCn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5c(F)cccc5F)cc4)n23)c1,HKTONALOUWTBGG-UHFFFAOYSA-N,3,1,0.317,25,228,480.482,5.077,6,0.342,0.7,1.0,0.24012233568638203,0.3538139949283805,0.6502809951339867,0.7514478102940169,0.49891628401069155
EOS-3-50657,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cn2)cc1Cl,BAQUZGMFRRCGME-UHFFFAOYSA-N,3,1,0.295,30,668,463.932,5.668,6,0.337,0.72,1.0,0.01645706257281886,0.1942721540675759,0.8099941744911247,0.8407665684325955,0.46537248989102875
EOS-3-50658,CCCOc1nc(C)nc(C)c1Cc1cncc2nnc(-c3cnn(-c4cnc(C)nc4)c(=O)c3)n12,UPAVIPKFBISJDU-UHFFFAOYSA-N,3,1,0.288,92,986,484.524,2.222,5,0.338,0.64,0.999,0.05836645877595778,0.005645603454184086,0.010922829141251457,0.0034696045507504624,0.01960112398053595
EOS-3-50659,Cc1cnc(-c2ocnc2-c2nnc3cncc(-c4cn(C)nc4C(F)F)n23)nc1,FJICIWLVRRKBIJ-UHFFFAOYSA-N,3,1,0.274,50,489,409.36,2.883,5,0.445,0.6,0.999,0.11609896511548215,0.0752604345144267,0.16633541224042217,0.14084024398601877,0.12463376396408746
EOS-3-50660,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)C5)nc4)n23)cc1F,DXGPEHPQNKWYFF-UHFFFAOYSA-N,3,1,0.322,0,169,495.465,3.223,5,0.456,0.82,1.0,0.15444452059488725,0.16849427729422248,0.13870707970666848,0.24027654033308204,0.17548060448221509
EOS-3-50661,Cc1cc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)cc(-c2cnn(C)c(=O)c2)c1C,XVAKYKNTVHGVJQ-UHFFFAOYSA-N,3,1,0.457,16,605,475.459,3.421,5,0.359,0.51,1.0,0.49458570351586595,0.36854910561304915,0.7225687067370297,0.6201082859296827,0.5514529504489069
EOS-3-50662,OCc1cnc(-c2cnnc(-c3nnc4cncc(OCc5ccccn5)n34)c2)cn1,YXTRPWJGRZWPNO-UHFFFAOYSA-N,3,1,0.5,7,587,413.401,1.505,5,0.436,0.54,0.728,0.30952299362620794,0.18555959152902474,0.13871564663148517,0.11165273113563155,0.18636274073058737
EOS-3-50663,CCCCc1cc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cnc1Cl,MLSXYKJRGXBFQR-UHFFFAOYSA-N,3,1,0.381,68,455,428.874,5.106,4,0.383,0.62,0.732,0.3671783976423823,0.5094664519224179,0.6994465766568433,0.6978531286409431,0.5684861387156467
EOS-3-50664,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccnc(F)n1,DKRYGIPJZYNKHH-UHFFFAOYSA-N,3,1,0.426,18,773,476.903,4.015,5,0.324,0.58,0.957,0.7410047289424988,0.7509766294291002,0.3629035021588651,0.37954047015283393,0.5586063326708245
EOS-3-50665,Fc1cnc(-c2nnc3cncc(OCc4ccc(CC(F)(F)F)nn4)n23)cc1-c1ccncn1,ALZGEBDGIYWVPD-UHFFFAOYSA-N,3,1,0.384,27,52,483.389,3.256,5,0.336,0.6,0.962,0.5839387293537112,0.5695205948872593,0.7975207319580563,0.7033530943732438,0.6635832876430676
EOS-3-50666,CCc1ccc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)nc2)cc1,XCIMDFGHTFLSHP-UHFFFAOYSA-N,3,1,0.302,32,818,455.525,5.54,6,0.339,0.65,1.0,0.1352974436296347,0.12395483517236652,0.6474196422452196,0.622704064149133,0.38234399629908844
EOS-3-50667,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCC34CC(F)(F)C3CO4)n12,PDJIVXRIQRPVKS-UHFFFAOYSA-N,3,1,0.506,90,548,445.426,3.857,6,0.465,0.44,1.0,0.7587468302378179,0.8730981426906997,0.9001096566376533,0.9216640394763895,0.8634046672606401
EOS-3-50668,Cc1cc(-c2nnc3cncc(OCCc4sccc4Cl)n23)cc(-c2ccc(F)nc2)n1,NOMPNWUCOTVTMG-UHFFFAOYSA-N,3,1,0.474,87,661,466.929,5.032,5,0.326,0.66,1.0,0.860299157014598,0.892125282708519,0.6530395449249538,0.6748166678089234,0.7700701631142486
EOS-3-50669,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)s1,DVXHIZSLHSEXCS-UHFFFAOYSA-N,3,1,0.605,97,31,454.342,5.801,5,0.336,0.78,1.0,0.8095829620999246,0.8674868069357823,0.8532571448152971,0.8978137207867863,0.8570351586594477
EOS-3-50670,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(C)nc4-c4cc(Cl)cnc4OC)n23)cc1C,SHCGBNQFKHKPMX-UHFFFAOYSA-N,3,1,0.307,74,413,488.939,3.584,5,0.402,0.71,1.0,0.31223014186827497,0.27437290110341994,0.28538139949283803,0.1801195942704407,0.2630260091837434
EOS-3-50671,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)nc1,XKOWWTPLMRWQFB-UHFFFAOYSA-N,3,1,0.458,51,196,405.805,3.469,5,0.437,0.79,1.0,0.6623089575765883,0.6367880885477349,0.3292012199300939,0.36663868137893224,0.49873423685833734
EOS-3-50672,FC(F)Oc1ccc(-c2nnc3cncc(-c4cnnc(-c5ncc[nH]5)c4)n23)cc1,AVILBEUKJWQBAH-UHFFFAOYSA-N,3,1,0.451,61,121,406.356,3.24,5,0.477,0.69,0.996,0.42087588239325613,0.4558289356452608,0.7712031389212528,0.7435833733123158,0.5978728325680214
EOS-3-50673,FC(F)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccc(Cl)n5)s4)n23)cn1,OOGJWIMUZRYBFH-UHFFFAOYSA-N,3,1,0.473,27,430,471.88,4.875,5,0.326,0.67,0.997,0.7410132958673155,0.7935285449934891,0.6778065245699404,0.6633284216297718,0.7189191967651292
EOS-3-50674,C#Cc1ncc(COc2cncc3nnc(-c4cc(-c5ncn(C)n5)ccn4)n23)cn1,QXEDHTVMFYOKEX-UHFFFAOYSA-N,3,1,0.372,7,113,410.401,1.332,5,0.395,0.63,1.0,0.33471831951202796,0.14158556644506887,0.0802121170584607,0.046775409499006236,0.15082285312864094
EOS-3-50675,COCc1ccnc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)nc5F)n34)c2)c1,VNYDSPJFUYTQES-UHFFFAOYSA-N,3,1,0.411,2,422,477.887,4.161,5,0.322,0.61,1.0,0.662317524501405,0.6318963744774175,0.7869234459598382,0.7223973682406963,0.7008836782948393
EOS-3-50676,CCn1cc(-c2cc(-c3cncc4nnc(-c5ccnc(-c6cccnc6)c5)n34)ccc2F)cn1,DISHJDPTUHFTHG-UHFFFAOYSA-N,3,1,0.291,42,693,462.492,4.938,6,0.361,0.54,1.0,0.1734116921389898,0.23862312384346515,0.7019823864025769,0.6866904256048249,0.45017690699746415
EOS-3-50677,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cc2)cn1,JWSCJAVXFFVWMV-UHFFFAOYSA-N,3,1,0.381,93,289,484.445,5.12,6,0.345,0.76,1.0,0.05307209923925708,0.2386316907682818,0.915333082036872,0.8650023987389487,0.5180098176958399
EOS-3-50678,C#Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cn(C)nn5)c4)n23)cn1,ZMVYIJZXJDSSDH-UHFFFAOYSA-N,3,1,0.484,89,250,408.425,2.542,5,0.412,0.69,1.0,0.3879103556987184,0.30016791172640667,0.4253992186964567,0.34390206291549585,0.3643448872592694
EOS-3-50679,Fc1cc(-c2nnc3cncc(-c4cncc(-c5cncc(F)c5F)c4)n23)ccc1-c1cncnn1,IJKVKYQOTYEIFM-UHFFFAOYSA-N,3,1,0.31,42,287,483.417,4.185,6,0.368,0.58,1.0,0.337142759235145,0.48659276266191487,0.8989616887122198,0.9051041738057707,0.6569503461037626
EOS-3-50680,Cc1nc(C(F)(F)F)ccc1-c1ccc(-c2nnc3cncc(-c4ccccc4Cl)n23)nc1,IUEQLPTUAYOCAE-UHFFFAOYSA-N,3,1,0.338,96,315,466.854,5.896,5,0.331,0.79,1.0,0.3418374340346789,0.5553937358645741,0.979884860530464,0.9660321431019121,0.7107870433829073
EOS-3-50681,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)[nH]5)n34)cn2)n[nH]1,FBALPCHOVLSMQZ-UHFFFAOYSA-N,3,1,0.28,82,584,411.454,3.695,6,0.457,0.59,0.994,0.0910664108011788,0.1452008087177027,0.3146374477417586,0.3503786580768967,0.22532083133438421
EOS-3-50682,CCCOc1ncc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4F)n23)cc1F,ZARRUZGZXDABHA-UHFFFAOYSA-N,3,1,0.43,13,451,477.475,4.755,5,0.334,0.68,1.0,0.5782160235761771,0.5187272976492359,0.4957679391405661,0.3763278733465835,0.49225978342814064
EOS-3-50683,N#Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)n4)n23)cn1,LGCXFWLOFICMGW-UHFFFAOYSA-N,3,1,0.456,53,62,408.385,1.884,5,0.423,0.62,0.962,0.507324720718251,0.3393101912137619,0.18572236310054144,0.16637824686450553,0.299683880474265
EOS-3-50684,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)cc2F)cs1,LQUOXKNDEZWJRK-UHFFFAOYSA-N,3,1,0.494,59,89,470.892,5.129,5,0.331,0.7,1.0,0.8756253855116167,0.8647025563703653,0.8693715303954492,0.8618240696319649,0.8678808854773491
EOS-3-50685,Cc1nc(-c2cc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)ccn2)n(C)c1C,BSUDQMFNQVXJEP-UHFFFAOYSA-N,3,1,0.494,7,980,481.347,4.484,5,0.365,0.66,1.0,0.4872010143238983,0.44710780618189294,0.34382496059214585,0.3982420670276198,0.41909396203138916
EOS-3-50686,COc1ccc(C)c(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)c1,ABDUDJQBRCLCRZ-UHFFFAOYSA-N,3,1,0.484,59,577,477.446,5.167,5,0.314,0.73,1.0,0.9464909875950929,0.8731067096155164,0.964901309026112,0.9257161949146734,0.9275538002878486
EOS-3-50687,Cc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cc(F)ccn5)nc4F)n23)c(Cl)n1,OMQNIBAOWBSLJV-UHFFFAOYSA-N,3,1,0.457,58,24,480.866,3.9,5,0.337,0.58,1.0,0.784738880131588,0.84959906791858,0.4001353574121034,0.4796878212596806,0.628540281680488
EOS-3-50688,COc1cc(CCOc2cncc3nnc(-c4ccnc(-c5sc(C)nc5C)c4)n23)c(F)cn1,IBCJFZGJZWDWEN-UHFFFAOYSA-N,3,1,0.544,75,43,477.525,4.091,5,0.346,0.57,1.0,0.5642862038242752,0.47795730244671375,0.2418271537248989,0.14572339113151944,0.3574485127818518
EOS-3-50689,CCn1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)cn1,RAZIQJOWGLGINZ-UHFFFAOYSA-N,3,1,0.36,78,701,401.474,3.301,5,0.524,0.93,1.0,0.0011993694743334933,0.0025443766705503393,0.0009252278802001233,0.0036495099719004867,0.0020796209992461107
EOS-3-50690,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(C(F)F)c5)n34)cc2)ccn1,GNWBCWGJJNVRTM-UHFFFAOYSA-N,3,1,0.341,96,121,407.359,4.251,5,0.417,0.77,1.0,0.14042046467000205,0.38277876773353436,0.9362792132136248,0.919410938249606,0.5947223459666918
EOS-3-50691,Cc1nc(-c2cc(-c3nnc4cncc(OCc5sncc5C)n34)ccc2C(F)F)n(C)n1,FYQGRDXNWMHDBA-UHFFFAOYSA-N,3,1,0.5,92,51,468.493,4.177,5,0.369,0.52,1.0,0.4280463984648071,0.4017459392776369,0.32559454458227677,0.2610770337879515,0.3541159790281681
EOS-3-50692,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5c[nH]nn5)ncc4Cl)n23)cc1,HWIDNJZADIOOQM-UHFFFAOYSA-N,3,1,0.464,89,398,487.911,3.096,6,0.357,0.72,0.994,0.49982009457884996,0.3920053457610856,0.22028990473579604,0.28176615722020426,0.34847037557398397
EOS-3-50693,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)cnn2)ccn1,YPTJLCJYDAJIHI-UHFFFAOYSA-N,3,1,0.438,20,778,449.837,2.847,5,0.36,0.4,0.872,0.6468970598314029,0.7189962990884792,0.37810979370845044,0.42994825577410734,0.5434878521006099
EOS-3-50694,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cccc(-c4cc(Cl)ccn4)c3)n12,KUZZPXXKHHHWPZ-UHFFFAOYSA-N,3,1,0.524,57,709,466.303,5.878,5,0.324,0.79,1.0,0.9240970461243232,0.9082996367623878,0.9593756425193612,0.9755071619491468,0.9418198718388048
EOS-3-50695,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5noc(-c6ccc(F)c(F)c6)n5)n34)c(F)c2)n1,BSOFJAMDKQYYOV-UHFFFAOYSA-N,3,1,0.321,3,192,486.417,4.691,6,0.353,0.71,1.0,0.3441333698855459,0.4646014666575286,0.7406106504009321,0.7591494757042012,0.577123740662052
EOS-3-50697,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCCCc5cccc(F)c5)n34)c2)cs1,CJGTZUINZKNHSK-UHFFFAOYSA-N,3,1,0.544,91,684,463.513,5.513,5,0.298,0.79,1.0,0.8171903913371257,0.714541498183812,0.7406192173257488,0.7514563772188335,0.75595187101638
EOS-3-50698,Cc1nc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)cn2)no1,XJFWVRWTAAUHMY-UHFFFAOYSA-N,3,1,0.359,85,362,406.797,1.974,5,0.436,0.7,1.0,0.19327839078884243,0.289998971969022,0.024304365704886574,0.03670070591460489,0.136070608594339
EOS-3-50699,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)cnc2Cl)ccc1Cl,BMRHUNFWRWAZFO-UHFFFAOYSA-N,3,1,0.532,35,393,478.343,4.88,5,0.321,0.69,1.0,0.8171989582619423,0.8787780138441506,0.6858765677472415,0.7170944417791789,0.7747369954081283
EOS-3-50700,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4sc(F)c(Cl)c4F)n23)ccn1,QAYWIVHBJAOEJH-UHFFFAOYSA-N,3,1,0.462,7,624,473.896,4.642,5,0.357,0.63,1.0,0.5458244808443561,0.5944589130285792,0.6445411555068192,0.6315108628606675,0.6040838530601055
EOS-3-50701,Cc1c(-c2nnc3cncc(-c4cncc(-c5cncn5C)c4)n23)ccnc1-c1cccc(Cl)n1,DHJLSHUOPBIXBS-UHFFFAOYSA-N,3,1,0.273,94,392,479.935,4.673,6,0.338,0.64,0.865,0.11340895072304845,0.15684325954355424,0.48580460557878147,0.5015591803166335,0.3144039990405044
EOS-3-50702,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cn5)n34)nc2C)s1,OKNSSLZDFWJTMD-UHFFFAOYSA-N,3,1,0.436,27,52,484.467,4.314,5,0.363,0.67,0.961,0.48234356795284766,0.5187358645740525,0.6858851346720581,0.5249297512165033,0.5529735796038654
EOS-3-50703,Fc1ncccc1-c1cc(-c2nnc3cncc(OCc4sncc4Cl)n23)cc(Cl)n1,RKPIKMCWUWCSNF-UHFFFAOYSA-N,3,1,0.477,16,772,474.308,4.73,5,0.34,0.67,0.999,0.6438215338222192,0.7330117880885477,0.6415941333698856,0.7514649441436502,0.6924730998560756
EOS-3-50704,Cc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)cc(-c2ccnc(CF)c2)n1,UPVXKIVIUXTITH-UHFFFAOYSA-N,3,1,0.495,4,469,479.878,4.793,5,0.345,0.65,1.0,0.7678192036186691,0.7509851963539168,0.7999109039819067,0.7668254403399356,0.7713851860736071
EOS-3-50705,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ccccn1,CBXFIOQVNDKTIY-UHFFFAOYSA-N,3,1,0.448,49,501,477.887,4.066,5,0.323,0.57,0.998,0.8146717154410252,0.7145500651086286,0.5305325200466041,0.4827547803440477,0.6356272702350764
EOS-3-50706,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5(F)COC5)cc4)n23)c(F)c1,OWRFZBGGZXYFDB-UHFFFAOYSA-N,3,1,0.358,61,269,489.446,2.214,6,0.373,0.67,1.0,0.28017270920430404,0.3103111507093414,0.38910972517305187,0.3732180796381331,0.3382029161812076
EOS-3-50707,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c(OC(F)F)c1,TXVRUPVQNNMUOG-UHFFFAOYSA-N,3,1,0.309,98,765,487.434,3.035,6,0.376,0.65,0.999,0.3173188952093756,0.3588427797957645,0.4822493317798643,0.429956822698924,0.39709195737098213
EOS-3-50708,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cc5C)ncn4)n23)cc1F,URKBQRKHDNJOSV-UHFFFAOYSA-N,3,1,0.427,89,788,488.458,3.169,5,0.362,0.66,1.0,0.540564389006922,0.41581282982660545,0.5741981358371598,0.42996538962374065,0.49013518607360695
EOS-3-50709,Fc1cc(-c2ccc(CCCc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cc2)ccn1,CYCHKHOPKWXKIY-UHFFFAOYSA-N,3,1,0.568,57,358,461.903,5.96,5,0.293,0.87,1.0,0.6984956480021931,0.9163611130148722,0.9377869919813584,0.9584846823384278,0.8777821088342129
EOS-3-50710,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)s2)no1,NQLHDKHWIIFMFU-UHFFFAOYSA-N,3,1,0.333,32,126,412.434,4.83,6,0.409,0.69,1.0,0.20727674593927764,0.23327736275786443,0.5028870536632171,0.5050202179425674,0.3621153450757316
EOS-3-50711,Cc1nc(-c2ccc(F)cc2)c(-c2ccc(-c3nnc4cncc(Cl)n34)c(F)c2)s1,WDKSBNFKOYYKLF-UHFFFAOYSA-N,3,1,0.545,83,558,439.878,5.822,5,0.355,0.71,0.999,0.34887087930916316,0.6085086697279145,0.8861113014872182,0.9237458022068399,0.691809163182784
EOS-3-50712,Fc1cnc(-n2ccnc2)c(COc2cncc3nnc(-c4cccc(-c5ncccc5F)c4)n23)c1,KDXFYEFILZRMBQ-UHFFFAOYSA-N,3,1,0.449,28,247,482.454,4.291,6,0.349,0.64,1.0,0.465029812898362,0.4203018984305394,0.6994551435816599,0.6924131313823589,0.56929999657323
EOS-3-50713,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)cc(C(F)F)n2)cn1,MZGWMVUOBHRCCO-UHFFFAOYSA-N,3,1,0.522,27,939,479.878,5.122,5,0.333,0.68,1.0,0.8467805496538963,0.8018555959152902,0.8905489685422521,0.8407751353574121,0.8449900623672126
EOS-3-50714,Fc1cnc(-c2nnc3cncc(-c4cc(-c5ccnnc5Cl)ccc4Cl)n23)c(Cl)c1,GYOMTIQMFJXLCI-UHFFFAOYSA-N,3,1,0.293,45,575,472.698,5.41,5,0.349,0.66,1.0,0.3347268864368446,0.4292200671646906,0.9171835377972722,0.9685165512987458,0.6624117606743883
EOS-3-50715,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ncns5)n34)c2)s1,UDJCQJMJUYVPEW-UHFFFAOYSA-N,3,1,0.444,36,506,408.472,3.049,5,0.437,0.68,1.0,0.31732746213419233,0.38735350558563497,0.032185936536220955,0.03151771640052087,0.1920961551641423
EOS-3-50716,FC(F)c1ccc(-c2ncncc2-c2nnc3cncc(Br)n23)nc1,VNDBBUDHZOJWOG-UHFFFAOYSA-N,3,1,0.471,68,861,404.178,3.343,4,0.521,0.71,0.583,0.237466588993215,0.3001764786512234,0.7303132067712974,0.7435919402371325,0.5028870536632171
EOS-3-50717,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cnn2)ccn1,GSKRSDGNQXJHNC-UHFFFAOYSA-N,3,1,0.467,73,469,452.812,3.549,5,0.373,0.42,1.0,0.5586148995956411,0.7145586320334453,0.7910869714207388,0.810216914536358,0.7186193543965458
EOS-3-50718,FC(F)(F)c1cc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)cn4)n23)ccc1Cl,SWSKUHUADONLBY-UHFFFAOYSA-N,3,1,0.489,27,343,484.829,4.29,5,0.364,0.65,1.0,0.9102528956205881,0.9534901651703105,0.9255791241176068,0.8742803783154,0.9159006408059763
EOS-3-50719,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)o4)n23)cc1F,IMLXRNDVUSWZIO-UHFFFAOYSA-N,3,1,0.32,50,844,404.365,2.085,5,0.485,0.76,0.998,0.20443252690014393,0.2332859296826811,0.19236172983345898,0.18012816119525735,0.20255208690288534
EOS-3-50720,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4cc(F)c(-c5ncnn5C)cc4F)n23)nc1,KUEXBIOMOSFMBO-UHFFFAOYSA-N,3,1,0.354,73,318,486.446,3.453,6,0.364,0.66,1.0,0.469775889246796,0.4866013295867315,0.43630491398807486,0.38265026386128437,0.44383309917072167
EOS-3-50721,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cc(-c5ccnc(Cl)c5)cnn4)n23)c1,HFMRBVJHZCVEJH-UHFFFAOYSA-N,3,1,0.494,19,752,482.306,4.711,5,0.324,0.68,1.0,0.7077479268041944,0.7467788362689329,0.8483911315194298,0.897822287711603,0.8001850455760401
EOS-3-50722,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cn5)n34)s2)cc1,QNWMHRHMNFSQQY-UHFFFAOYSA-N,3,1,0.303,30,93,422.473,5.237,6,0.387,0.6,1.0,0.10797752038928106,0.14912446028373655,0.5098947981632513,0.5548368857514906,0.3304584161469399
EOS-3-50723,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5cc(F)ccn5)s4)n23)cc1,FWEZKINYJHVKFN-UHFFFAOYSA-N,3,1,0.473,71,415,486.496,3.218,6,0.349,0.66,1.0,0.4748646425878966,0.46895346446439584,0.10464498663559729,0.12959187170173395,0.29451374134740593
EOS-3-50724,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)nn2)cc1,DRSBOQUOMPKQQF-UHFFFAOYSA-N,3,1,0.291,10,37,406.413,2.824,6,0.478,0.7,0.743,0.003932218490850525,0.015077787677335345,0.1857309300253581,0.22875402645466383,0.10837374066205195
EOS-3-50725,Fc1cccnc1-c1ccnc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4F)n23)c1,PMUTWYQMIUCMBL-UHFFFAOYSA-N,3,1,0.457,88,692,466.398,4.426,5,0.272,0.62,1.0,0.8199232403536426,0.7509937632787335,0.9238314714550065,0.9246624631622233,0.8548527345624015
EOS-3-50726,Cc1ncc(-c2cccc(COc3cncc4nnc(-c5ccnc(-c6ccsc6)c5)n34)n2)n1C,DSNJEGZXDOOMQI-UHFFFAOYSA-N,3,1,0.462,6,597,480.557,4.598,6,0.344,0.64,1.0,0.3555959152902474,0.2692413131382359,0.28538996641765474,0.2197416215475293,0.2824922040984168
EOS-3-50727,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)c5)n34)c2)cn1,CZBUHEPMEXHBGG-UHFFFAOYSA-N,3,1,0.489,1,676,466.398,4.985,5,0.268,0.73,1.0,0.8669899252964156,0.873115276540333,0.9867469673086149,0.9621341923103283,0.922246590363923
EOS-3-50728,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)nc1C,FQXGFTWCYQRPMP-UHFFFAOYSA-N,3,1,0.484,58,579,477.981,4.905,5,0.343,0.64,1.0,0.7471986155849496,0.7894078541566719,0.1416883695428689,0.1431447467617024,0.45535989651154823
EOS-3-50729,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)cc2)c(F)nc1F,AUBKDLFIACZNTH-UHFFFAOYSA-N,3,1,0.276,96,315,454.362,5.27,5,0.273,0.74,1.0,0.37414330751833325,0.5554023027893907,0.9878521006099651,0.9858474402028647,0.7258112877801384
EOS-3-50730,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cnc2Cl)nc1F,FIOOQKILQLDEIC-UHFFFAOYSA-N,3,1,0.424,13,995,469.814,4.815,5,0.275,0.71,1.0,0.8017442258926736,0.9037248989102872,0.8578061818929477,0.8714104585018162,0.8586714412994312
EOS-3-50731,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5F)n4)n23)cc1,IMJFIWDLXCQNRA-UHFFFAOYSA-N,3,1,0.304,3,158,483.898,4.597,6,0.361,0.65,1.0,0.06362655061339181,0.35885134672058117,0.48916284010691524,0.6201168528544994,0.3829393975738469
EOS-3-50732,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cccnc1F,JANXVPOAFGKEET-UHFFFAOYSA-N,3,1,0.535,97,83,467.913,5.295,5,0.316,0.72,1.0,0.8831985470495511,0.9012576245630869,0.8578147488177644,0.812667055033925,0.8637344938660818
EOS-3-50733,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(F)c5)ns4)n23)cn1,BTODSXYPFOLFTN-UHFFFAOYSA-N,3,1,0.479,80,34,485.508,3.823,6,0.35,0.71,1.0,0.4095932424097046,0.5510503049825235,0.16948804057295594,0.19633678294839285,0.33161709272839424
EOS-3-50734,N#Cc1ccc(-c2nnc3cncc(-c4ccccc4OCCc4cc(Cl)ccc4F)n23)cc1,SJQVSVSRLGUGSH-UHFFFAOYSA-N,3,1,0.479,79,504,469.907,5.744,5,0.317,0.8,0.999,0.8017527928174902,0.8838924679597012,0.9694846138030293,0.9718148173531629,0.9067361729833459
EOS-3-50735,FC(F)c1cccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)c(Cl)cn2)n1,IWKTZUWFROZWQG-UHFFFAOYSA-N,3,1,0.447,20,658,480.866,4.251,5,0.34,0.58,1.0,0.7704064149133028,0.832550887533411,0.6617521074635049,0.6343893495990679,0.7247746898773216
EOS-3-50736,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)c(F)cn2)s1,QXISJWRQZDUJMF-UHFFFAOYSA-N,3,1,0.427,46,915,469.452,4.669,5,0.357,0.59,0.994,0.7045438969227606,0.6515489000068535,0.7527414159413337,0.6866989925296415,0.6988833013501473
EOS-3-50737,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c1Cl,PJUQAZAAMNQLGX-UHFFFAOYSA-N,3,1,0.554,15,320,481.347,4.219,5,0.335,0.62,1.0,0.6653073812624221,0.6806164759098075,0.4545867315468439,0.505028784867384,0.5763848433966143
EOS-3-50738,CCCn1nc2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)ccc2c1OC,VQUBEYNXNGLVQE-UHFFFAOYSA-N,3,1,0.283,30,737,461.529,5.289,6,0.335,0.69,0.93,0.1104190939620314,0.0786957713659105,0.252630045918717,0.2848845178534713,0.18165735727503257
EOS-3-50739,Cc1cnc(-c2nccnc2-c2nnc3cncc(-c4cnnc(-c5nccc(F)c5F)n4)n23)cn1,UFHZTMCUJARHGZ-UHFFFAOYSA-N,3,1,0.265,86,953,482.418,2.539,6,0.365,0.5,0.278,0.2072853128640943,0.24394318415461586,0.10985367692413131,0.16903399355767254,0.1825290418751285
EOS-3-50740,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnc6ccccn56)nn4)n23)cc1,YHFJWFUMPQKPLQ-UHFFFAOYSA-N,3,1,0.363,67,622,488.475,2.879,7,0.355,0.66,1.0,0.36718696456719896,0.21312795558906175,0.09230861489959565,0.10485915975601398,0.1943706737029676
EOS-3-50741,FC(F)c1cnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nc1,WCAANJMYWFOWNH-UHFFFAOYSA-N,3,1,0.315,50,489,407.409,4.309,5,0.442,0.73,0.997,0.17907442944280721,0.2589181687341512,0.6940065793982592,0.7091100678500446,0.46027731135631555
EOS-3-50742,Cc1cccc(-c2nn3ccccc3c2-c2cncc3nnc(-c4cncnc4-c4ccccn4)n23)n1,GMWCTJBFHVGJIF-UHFFFAOYSA-N,3,1,0.243,32,515,482.511,4.328,7,0.364,0.6,0.308,0.037977177712288396,0.08228531286409431,0.19577136591049277,0.2551230210403673,0.14278921938181072
EOS-3-50743,FC(F)(F)c1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nc2)n1,MZHUZFAFQPWHOB-UHFFFAOYSA-N,3,1,0.303,38,154,486.421,4.114,6,0.395,0.61,1.0,0.19888972654375986,0.31545130559934204,0.8532657117401138,0.7360530463984648,0.5259149475704201
EOS-3-50744,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(Cl)c6)s5)n34)cc2)n(C)n1,YMRPQLOEYLNSRV-UHFFFAOYSA-N,3,1,0.397,3,641,485.964,4.734,6,0.355,0.74,1.0,0.061913165650058256,0.26924988006305256,0.16009012404907136,0.25796724007950106,0.1873051024604208
EOS-3-50745,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4Cl)n23)c(Cl)c1,GJMZWDKTLWLDIR-UHFFFAOYSA-N,3,1,0.523,23,406,488.762,5.223,5,0.402,0.81,1.0,0.6438301007470358,0.6224556233294497,0.7712117058460695,0.895063737920636,0.7331402919607978
EOS-3-50746,Cn1nc(-c2ccc(F)cc2Cl)nc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cn3)n12,NZWPQDRINCTICJ-UHFFFAOYSA-N,3,1,0.327,30,737,482.91,5.108,6,0.347,0.72,0.907,0.13530601055445138,0.3588599136453978,0.5305410869714208,0.7006973476800767,0.43135108971283664
EOS-3-50747,c1cnc2ccc(-c3ccc(-c4cncc5nnc(-c6ccc(-c7cnco7)cc6)n45)cn3)cc2c1,HBNAYHJMASIZER-UHFFFAOYSA-N,3,1,0.314,69,987,467.492,5.724,7,0.326,0.76,1.0,0.2235196353916798,0.2131365225138784,0.7688386676718525,0.7716914536358029,0.4942965698033034
EOS-3-50748,CCOc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4ccnc(F)c4)c3)n12,GMEDFKOUWFNWJJ-UHFFFAOYSA-N,3,1,0.426,65,778,458.457,3.198,5,0.323,0.47,1.0,0.5957439517510794,0.5554108697142074,0.440065793982592,0.3439106298403125,0.48378281132204787
EOS-3-50749,Fc1cc(-c2nnc3cncc(-c4ncnc(-c5cc(Cl)ncn5)n4)n23)c(F)cc1Cl,UKKHRRBZSVYHPW-UHFFFAOYSA-N,3,1,0.316,29,575,458.219,3.685,5,0.298,0.52,0.864,0.4208844493180728,0.6319049414022343,0.6858937015968748,0.816899115893359,0.6388955520526352
EOS-3-50750,N#Cc1nccc(OCc2cncc3nnc(-c4ccc(-c5nnc(C6(F)CCC6)o5)nc4)n23)n1,LCPQRXLZQAWXIX-UHFFFAOYSA-N,3,1,0.324,85,60,470.428,2.826,6,0.36,0.46,0.993,0.47991912822973065,0.5094750188472346,0.012070797066684943,0.03670927283942156,0.2595435542457679
EOS-3-50751,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5ccc(Cl)c(F)c5)n34)c2)n1,UVJZEDZCYCHJJF-UHFFFAOYSA-N,3,1,0.282,64,27,483.898,4.503,6,0.364,0.64,1.0,0.22647522445343019,0.2538122815434172,0.5996247686930299,0.6867075594544583,0.4416549585360839
EOS-3-50752,Clc1ccc2c(n1)CC(Oc1cncc3nnc(-c4cc(-c5ccsc5)ccn4)n13)O2,IUCFWXQBVRBAOE-UHFFFAOYSA-N,3,1,0.34,18,160,448.895,4.303,6,0.379,0.5,0.962,0.5047803440477007,0.48660989651154823,0.6321191145226509,0.6603299979439381,0.5709598382564595
EOS-3-50753,Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C)c(Cl)c5)n34)ccn2)s1,LYHCWXLAMUUJQB-UHFFFAOYSA-N,3,1,0.535,24,805,447.951,5.764,5,0.342,0.76,1.0,0.8068501130834076,0.8462408333904462,0.7888938386676718,0.7514735110684668,0.7983645740524982
EOS-3-50754,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(-c6nccn6C)c5)n34)nc2)cn1,GUXZJXKQLUCQSK-UHFFFAOYSA-N,3,1,0.394,56,318,483.923,4.433,6,0.357,0.71,1.0,0.42565622644095674,0.6224641902542664,0.567490233705709,0.5081385785758344,0.5309373072441916
EOS-3-50755,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)ccn1,RYHMTCPBGPRDSW-UHFFFAOYSA-N,3,1,0.483,35,778,414.404,2.799,5,0.391,0.51,1.0,0.7077564937290111,0.6464772805153862,0.4613631690768282,0.44571139743677607,0.5653270851895004
EOS-3-50756,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5)n34)o2)cc1,PUKQTSSVCUYDGI-UHFFFAOYSA-N,3,1,0.297,30,465,484.483,4.151,7,0.354,0.66,1.0,0.061921732574874926,0.04891714070317319,0.27807381262422043,0.3407494345829621,0.18241553012130768
EOS-3-50757,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c(Cl)c1,AQPIKRJXKCTQOB-UHFFFAOYSA-N,3,1,0.547,37,265,484.322,4.654,5,0.349,0.68,1.0,0.8959289973271195,0.8462494003152629,0.8100027414159413,0.8407837022822288,0.8482412103351381
EOS-3-50758,Cc1cc(F)c(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)c5F)n34)c2)cn1,NYWRDIMLKABQEF-UHFFFAOYSA-N,3,1,0.539,84,884,478.89,5.11,5,0.337,0.69,1.0,0.8579946542389144,0.8839010348845179,0.9290744294428072,0.9237543691316565,0.898681121924474
EOS-3-50759,Fc1nc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3csc(-c4cncs4)n3)n12,GDKJZMDGEBLNGV-UHFFFAOYSA-N,3,1,0.438,6,584,478.498,3.27,6,0.358,0.55,1.0,0.47758035775478036,0.5649030224110754,0.07814748817764375,0.08512953190322801,0.30144010006168187
EOS-3-50760,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cn5)n34)nc2)n[nH]1,XDOJZBXSMPTZKP-UHFFFAOYSA-N,3,1,0.264,70,154,408.389,1.818,6,0.445,0.63,1.0,0.11885751490644918,0.1306713042286341,0.08521520115139469,0.08876190802549516,0.10587648207799329
EOS-3-50761,COc1cnc(-c2cc(Cl)c(-c3nnc4cncc(OCc5ccns5)n34)s2)cn1,IOHFEJOBAHAWEH-UHFFFAOYSA-N,3,1,0.389,7,62,457.928,4.007,5,0.377,0.51,1.0,0.47244020286477967,0.46014666575286134,0.15372489891028715,0.15854807758207115,0.3112149612774998
EOS-3-50762,CC#Cc1ncc(COc2cncc3nnc(-c4ccc(C)nc4)n23)c(Cl)c1F,OGXBBNTWZOVFAG-UHFFFAOYSA-N,3,1,0.524,90,555,408.824,3.633,4,0.48,0.61,1.0,0.7931944349256391,0.8290984168322939,0.7803954492495374,0.695197381947776,0.7744714207388116
EOS-3-50763,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cncs5)s4)n23)ccc1C(F)F,RCZIOWPFKOEYFI-UHFFFAOYSA-N,3,1,0.561,27,343,460.466,5.027,5,0.354,0.62,1.0,0.7292509080940306,0.7638098828044685,0.8247978205743266,0.7881056815845384,0.776491073264341
EOS-3-50764,Clc1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)c1,QHAFHPFHFZHHTB-UHFFFAOYSA-N,3,1,0.595,90,255,406.66,4.726,4,0.49,0.78,1.0,0.8492135563018299,0.927326776780207,0.9362877801384415,0.9722859982180796,0.9212785278596395
EOS-3-50765,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(COCc3cccc(-c4cccnc4)n3)n12,WWLAEJQPJIUEBO-UHFFFAOYSA-N,3,1,0.36,14,693,479.479,3.889,6,0.366,0.55,1.0,0.3966057843876362,0.40175450620245357,0.5674988006305257,0.5548454526763074,0.4801761359742307
EOS-3-50766,COc1cc(OCc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)ccc1Cl,QNOICWFMLBDXLF-UHFFFAOYSA-N,3,1,0.374,57,189,478.339,5.748,5,0.31,0.9,1.0,0.4921783976423823,0.5322973065588377,0.9153416489616887,0.9194195051744226,0.7148092145843329
EOS-3-50767,CC(F)(F)c1ccc(-c2nnc3cncc(Cc4ccc(-c5ccsc5)cn4)n23)c(F)c1,LUWYRIYADRDFEI-UHFFFAOYSA-N,3,1,0.361,14,81,451.477,5.756,5,0.341,0.68,1.0,0.4463796175724762,0.5463213624837229,0.980424576793914,0.9645500651086286,0.7344189054896855
EOS-3-50768,Cc1cnc(-c2nnc3cncc(Br)n23)c(-c2ccc(F)c(F)c2)n1,BJTTWOUIIWHODI-UHFFFAOYSA-N,3,1,0.456,90,861,403.19,3.597,4,0.512,0.8,1.0,0.28825988623123844,0.3732095127133164,0.6206737029675827,0.7251216503323967,0.5018161880611336
EOS-3-50769,CN=c1cc(-c2nnc3cncc(OCc4ccccn4)n23)cc(-c2ccc(C)nc2)[nH]1,LMPWRMWSECSZRG-UHFFFAOYSA-N,3,1,0.59,4,92,424.468,2.994,5,0.465,0.5,1.0,0.18781269275580836,0.12749297512165034,0.392690699746419,0.2459821122609828,0.23849461997121513
EOS-3-50770,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nc2)c1,JAUHNTWQCXMBEV-UHFFFAOYSA-N,3,1,0.344,32,479,438.541,5.705,6,0.353,0.69,1.0,0.07718799259817696,0.18556815845384142,0.5963179357137962,0.620125419779316,0.36979987663628267
EOS-3-50771,Cc1ncc(-c2nnc3cncc(OCc4nc(Cl)c(-c5cnc(Cl)s5)s4)n23)cn1,YZFHHHZWJZHICH-UHFFFAOYSA-N,3,1,0.46,51,434,477.362,4.356,5,0.368,0.64,1.0,0.5253495305325201,0.6036083887327804,0.09678054965389624,0.1636196970735385,0.3473395414981838
EOS-3-50772,Fc1ccc(Cl)cc1COc1nc(-c2nnc3cncc(Cl)n23)ccc1-c1nccs1,ZWOMQOUWKAWSKQ-UHFFFAOYSA-N,3,1,0.378,59,703,473.32,5.335,5,0.343,0.71,1.0,0.4897196902199986,0.6413713933246522,0.756990610650401,0.8246007813035433,0.6781706188746488
EOS-3-50773,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4Cl)n23)cc1F,NCVWFHUHVMIVNK-UHFFFAOYSA-N,3,1,0.396,66,685,490.848,4.481,5,0.329,0.89,1.0,0.3810139812213008,0.4912189020629155,0.9056353231444041,0.8950723048454526,0.6682351278185182
EOS-3-50774,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)cc1-c1ccccn1,GNVRLGZWOPZVMB-UHFFFAOYSA-N,3,1,0.522,11,729,476.899,4.671,5,0.315,0.63,1.0,0.9086594476046879,0.8358491535878281,0.7951905284079227,0.7464018915769995,0.8215252552943595
EOS-3-50775,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)n(C)n1,KJCNBAOESAWBNV-UHFFFAOYSA-N,3,1,0.477,36,6,406.385,1.731,5,0.468,0.69,1.0,0.46736858337331233,0.5140497566993352,0.15373346583510383,0.1318963744774176,0.3167620450962922
EOS-3-50776,Cc1nc(-c2ccccc2)c(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)nc5)n4)n23)s1,HQZIEEGNXAJALI-UHFFFAOYSA-N,3,1,0.306,10,952,472.925,3.914,6,0.355,0.5,0.987,0.012439174833801659,0.10130388595709684,0.04816325131930642,0.1296004386265506,0.07287668768418888
EOS-3-50777,Cc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc(-c2cccnc2F)n1,QJFXLTCAXYJTDK-UHFFFAOYSA-N,3,1,0.484,35,265,479.878,4.505,5,0.331,0.61,1.0,0.8794291001302172,0.8892296621204853,0.8018727297649236,0.7951219930093893,0.8414133712562538
EOS-3-50778,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ncn2)c(C)n1,SOUFPYMZMQUMTE-UHFFFAOYSA-N,3,1,0.396,44,971,464.316,5.359,5,0.354,0.63,0.961,0.5535604139538072,0.5944674799533959,0.7019909533273936,0.730501679117264,0.6451301315879652
EOS-3-50779,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5Cl)n34)cn2)cc1,BLWHMPMOBZKNIF-UHFFFAOYSA-N,3,1,0.325,42,171,480.894,5.165,6,0.343,0.69,0.997,0.3016585566445069,0.48199232403536424,0.8450928654650127,0.8936501953258859,0.6305984853676925
EOS-3-50780,Cc1csc(-c2cc(F)cc(F)c2-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,BAGJSIWFNZOFAX-UHFFFAOYSA-N,3,1,0.345,62,341,488.523,5.061,6,0.374,0.81,1.0,0.20155404016174355,0.2951905284079227,0.4215526694537729,0.5081471455006511,0.3566110958810226
EOS-3-50781,Fc1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5F)cc4)n23)cc1,BLKPYICOKOZTGK-UHFFFAOYSA-N,3,1,0.433,83,472,418.834,6.057,5,0.358,0.9,1.0,0.49982866150366667,0.8394215612363786,0.9881776437529984,0.9957765060653828,0.8308010931396066
EOS-3-50782,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cn1)N1CCC(CO)CC1,DREHMEBEUUPVNZ-UHFFFAOYSA-N,3,1,0.333,52,376,492.543,3.155,6,0.397,0.8,0.906,0.020243643341786032,0.004746076348433966,0.008104310876567747,0.05332910698375711,0.021605784387636214
EOS-3-50783,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)s5)n34)cn2)nc1,AIGZUGSTYPMKCZ-UHFFFAOYSA-N,3,1,0.328,76,368,438.541,5.705,6,0.353,0.7,1.0,0.08373312315811117,0.20344733054622713,0.4508172846275101,0.49186998834898227,0.30746693167020767
EOS-3-50784,CCOc1cccc(-c2c(Cl)cc(Cc3cncc4nnc(-c5ccc(C)nc5)n34)nc2F)c1,APOHMQCMTUITSO-UHFFFAOYSA-N,3,1,0.366,14,358,474.927,5.339,5,0.309,0.74,1.0,0.5073332876430676,0.622472757179083,0.782725652799671,0.7411760674388321,0.6634269412651634
EOS-3-50786,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nncn4-c4ccc(Cl)c(Cl)c4)n23)cn1,WJOGIWCQBPRNJZ-UHFFFAOYSA-N,3,1,0.286,99,844,490.318,3.536,6,0.368,0.71,0.983,0.06737029675827565,0.18979165238845863,0.2998937701322733,0.46144883832499484,0.2546261394010006
EOS-3-50787,Clc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)nn4)n23)cc1,YGAYAOJGZWVJAJ-UHFFFAOYSA-N,3,1,0.299,10,748,487.314,4.198,6,0.364,0.68,0.958,0.00883249948598451,0.14520937564251937,0.4287317524501405,0.67482523473374,0.3143997155780961
EOS-3-50788,Clc1cc(-c2ccoc2)ccc1-c1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,METGVKSRSVESGV-UHFFFAOYSA-N,3,1,0.388,69,30,439.862,6.027,6,0.333,0.81,1.0,0.35806318963744777,0.4471163731067096,0.9076828181755877,0.9216726064012062,0.6586337468302378
EOS-3-50789,Fc1cc(Cl)c(F)nc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,PTODWAYJHYOLQJ-UHFFFAOYSA-N,3,1,0.482,90,255,409.183,3.745,4,0.478,0.6,1.0,0.7704149818381194,0.9273353437050237,0.8872250017133849,0.9216811733260228,0.8766641251456377
EOS-3-50790,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ncc(F)cn5)c(F)cc4F)n23)cc1Cl,RZWQVWWDHKINKZ-UHFFFAOYSA-N,3,1,0.473,73,665,483.841,4.601,5,0.361,0.65,1.0,0.8492221232266466,0.8990816256596532,0.7999194709067233,0.8327479268041944,0.8452427866493044
EOS-3-50791,Fc1cc(-c2cc(Cc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2Cl)ccn1,CVZWUGQRMQUQPI-UHFFFAOYSA-N,3,1,0.409,57,358,450.304,5.89,5,0.321,0.77,1.0,0.5928483311630457,0.8018641628401069,0.9723202659173463,0.9866698649852649,0.8384256562264409
EOS-3-50792,Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ncc(=N)[nH]n5)c4)n23)cn1,FEZZTAUXNKLBLL-UHFFFAOYSA-N,3,1,0.457,7,535,413.405,1.128,5,0.431,0.61,1.0,0.3716760331711329,0.22858268795833048,0.0537831539990405,0.025863546021520117,0.16997635528750601
EOS-3-50793,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5C)nc4)n23)nc1,WLXAIHXKWCNZAQ-UHFFFAOYSA-N,3,1,0.464,33,348,409.453,3.839,5,0.435,0.64,1.0,0.430265231992324,0.20825337536837776,0.44726201082859296,0.3311716126379275,0.3542380577068055
EOS-3-50794,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc(Cl)n2)nc1,GQQSJYPTPKWYSG-UHFFFAOYSA-N,3,1,0.516,73,263,483.294,4.106,5,0.333,0.6,0.984,0.8492306901514632,0.864711123295182,0.5238074840655198,0.6283496676033171,0.7165247412788706
EOS-3-50795,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(F)cn5)ns4)n23)cn1,FIHONQLWHMFWOY-UHFFFAOYSA-N,3,1,0.416,7,85,489.496,2.71,6,0.366,0.71,1.0,0.37168460009594956,0.3206257281886094,0.01791343979165239,0.03572407648550476,0.18648696114042904
EOS-3-50796,Cn1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1-c1cncs1,CNXISEQNIXEBCY-UHFFFAOYSA-N,3,1,0.437,95,956,411.397,3.719,5,0.448,0.62,1.0,0.32716229182372697,0.3732180796381331,0.5439654581591392,0.5806832979233775,0.45625728188609416
EOS-3-50797,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c(F)c2)cs1,NDOVRFIGYZHVGM-UHFFFAOYSA-N,3,1,0.484,37,832,485.907,4.566,5,0.348,0.75,1.0,0.7987286683572065,0.8618326365567816,0.5742067027619766,0.6201339867041327,0.7137254985950243
EOS-3-50798,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnn(CC)c1,GLKBAWBNPUUTGJ-UHFFFAOYSA-N,3,1,0.389,13,251,463.904,5.217,5,0.343,0.63,0.998,0.3556044822150641,0.48200089096018095,0.5639178260571586,0.5645175107943252,0.4915101775066822
EOS-3-50799,Clc1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccnc(Cl)n5)c4)n23)cn1,YCEZOUIPGIHGTH-UHFFFAOYSA-N,3,1,0.419,55,283,452.265,3.319,5,0.292,0.52,0.969,0.7045524638475773,0.8059677198272908,0.4436810362552258,0.5050373517922007,0.6148096429305736
EOS-3-50800,CN(CCO)C(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncnn5C)cc4F)n23)cc1F,UENZUESRKGFAIA-UHFFFAOYSA-N,3,1,0.33,61,269,490.474,2.596,5,0.389,0.7,0.997,0.18484853676924132,0.1727434720032897,0.3256031115070934,0.30631039681995753,0.2473763792748955
EOS-3-50801,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)cc(F)n1,RBGYZBQQYIETFI-UHFFFAOYSA-N,3,1,0.453,27,354,468.374,3.833,5,0.274,0.6,0.989,0.7472071825097663,0.8096600644232747,0.8813138235898842,0.814783085463642,0.8132410389966418
EOS-3-50802,O=C(NCc1cccnc1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)c(F)c1,NEPUQBKHNNUCIN-UHFFFAOYSA-N,3,1,0.339,42,151,492.478,2.898,6,0.376,0.76,1.0,0.02537523130697005,0.13420944417791789,0.40364779658693717,0.32788191350832707,0.22277859639503805
EOS-3-50803,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5F)n34)c(Cl)n2)s1,URNCTEJKELXRKI-UHFFFAOYSA-N,3,1,0.451,4,526,472.868,3.919,5,0.354,0.57,0.935,0.5983482968953464,0.7099153587828113,0.3331420053457611,0.4268213282160236,0.5170567473099856
EOS-3-50804,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2C#N)nc1,QYKDKROFKQSEHF-UHFFFAOYSA-N,3,1,0.473,89,31,458.934,5.327,5,0.353,0.65,1.0,0.817207525186759,0.8588599136453978,0.830434857103694,0.8126756219587417,0.829794479473648
EOS-3-50805,Fc1cnc(-c2nncc(-c3cncc4nnc(-c5nccnc5-c5cccs5)n34)n2)nc1,GRCRLAMGLAWXOV-UHFFFAOYSA-N,3,1,0.27,86,953,455.442,2.758,6,0.39,0.4,0.378,0.17616167500514016,0.24395175107943254,0.03619525735042149,0.07644267013912685,0.13318783839353027
EOS-3-50806,Cc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc(-c2ccc(F)c(Cl)c2)n1,IXZVURFFMQEDGF-UHFFFAOYSA-N,3,1,0.516,88,490,478.89,5.11,5,0.337,0.68,1.0,0.9253649509971901,0.9290058940442739,0.8761222671509835,0.8840723733808512,0.9036413713933247
EOS-3-50807,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cc5F)n34)nc2F)n1,RARKQBOKTXXAKE-UHFFFAOYSA-N,3,1,0.432,59,445,472.818,3.93,5,0.305,0.6,0.968,0.7260811459118635,0.7467874031937496,0.8138921252827085,0.82460934822836,0.7778425056541703
EOS-3-50808,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)c(F)cc1-c1nccn1C,NPNPZRJKWCCPMB-UHFFFAOYSA-N,3,1,0.366,20,279,479.907,3.353,5,0.349,0.53,0.999,0.5535689808786238,0.5278339387293537,0.08522376807621136,0.12097354533616612,0.3219000582550888
EOS-3-50809,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)cn2)ccc1F,QWAIJMVNWJWFEB-UHFFFAOYSA-N,3,1,0.482,13,145,467.291,5.795,5,0.333,0.78,1.0,0.7321636625316976,0.8588684805702145,0.902388458638887,0.9204818038516894,0.8534756013981221
EOS-3-50810,Cn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3nc(-c4ncccn4)ccc3F)n12,FAQZWQPAAVTJKG-UHFFFAOYSA-N,3,1,0.267,8,754,485.874,3.293,6,0.346,0.62,0.999,0.15727160578438765,0.35886848057021453,0.10189500376944692,0.21432732506339525,0.2080906037968611
EOS-3-50811,Cc1nc(-c2ccc(C(=O)NC3CC3)cn2)cc(-c2nnc3cncc(OCCc4ccccc4)n23)n1,BVXOHOGREZHFLN-UHFFFAOYSA-N,3,1,0.506,52,344,492.543,3.465,6,0.35,0.84,1.0,0.2693955177849359,0.012344938660818313,0.06734459598382564,0.08171132890137756,0.10769909533273936
EOS-3-50812,Clc1ccc(COCc2cncc3nnc(-c4cccc(-c5cncc(Cl)c5)c4)n23)cc1,GHSJYYCOAZWOBQ-UHFFFAOYSA-N,3,1,0.538,57,358,462.34,5.877,5,0.316,0.8,1.0,0.4415564389006922,0.5278425056541703,0.9392776368994585,0.9609176889863614,0.7173985676101706
EOS-3-50813,Cc1nc(-c2ccc(F)cc2F)cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)n1,KOPBDLBDCQVQSP-UHFFFAOYSA-N,3,1,0.605,59,13,482.853,5.206,5,0.342,0.74,1.0,0.9391148653279419,0.9123260914262217,0.9412651634569255,0.9502433006647933,0.9357373552189706
EOS-3-50814,FC(F)n1cncc1-c1cnnc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,XPABAYXCZYEOKI-UHFFFAOYSA-N,3,1,0.404,31,466,469.843,3.51,5,0.333,0.5,0.981,0.47487320951271333,0.4471249400315263,0.714618600507162,0.6978616955657597,0.5836196114042903
EOS-3-50815,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cc4C(F)F)n23)s1,HONPQZVYLCMQNN-UHFFFAOYSA-N,3,1,0.283,96,121,483.891,4.667,5,0.389,0.63,0.41,0.2152696867932287,0.2439603180042492,0.7225772736618463,0.7251302172572134,0.47673437392913437
EOS-3-50816,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)cc1Cl,HZNITVOIWHTJCY-UHFFFAOYSA-N,3,1,0.595,19,570,481.318,5.316,5,0.327,0.76,1.0,0.8669984922212323,0.8945668562812693,0.9153502158865053,0.9508258515523268,0.9069353539853334
EOS-3-50817,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5nnco5)ncc4Cl)n23)cc1,UQAZBYJNZVCULR-UHFFFAOYSA-N,3,1,0.438,71,415,487.871,2.659,6,0.341,0.67,1.0,0.49715578096086627,0.4912274689877322,0.06735316290864231,0.08877047495031183,0.28612672195188815
EOS-3-50818,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4cc(Cl)ccc4F)ncn3)n12,GMWXAGQGTNTKMU-UHFFFAOYSA-N,3,1,0.385,13,971,471.254,5.626,5,0.338,0.72,1.0,0.7349993146460146,0.7894164210814886,0.9605321773696114,0.9783256802138305,0.8658183983277362
EOS-3-50819,CCOc1ncc(C)cc1COc1cncc2nnc(-c3ccc(-c4cscn4)nc3OC)n12,DLXOCFIUYROLKH-UHFFFAOYSA-N,3,1,0.441,49,710,475.534,4.0,5,0.329,0.58,0.996,0.3603848262627647,0.14159413336988555,0.13872421355630182,0.04951682544033994,0.17255499965732302
EOS-3-50820,Cc1cnc(-c2cccc(-c3nnc4cncc(C(C)Oc5cccc(F)c5Cl)n34)c2)cn1,RLAUQAGKPXSXCX-UHFFFAOYSA-N,3,1,0.394,14,189,460.9,5.489,5,0.345,0.67,1.0,0.5147265437598519,0.5742838050853266,0.9115379343430882,0.8742889452402166,0.7187093071071209
EOS-3-50821,Cn1nc(-c2nnc3cncc(OCCc4ccsc4)n23)cc(-c2ccc(C(F)F)nn2)c1=O,AFHPPLHMJLAVBF-UHFFFAOYSA-N,3,1,0.4,53,466,482.476,2.963,5,0.348,0.57,0.905,0.24270954698101568,0.11690425604824892,0.24892913439791653,0.2402851072578987,0.21220701117126994
EOS-3-50822,Fc1cc(-c2ccnc(Cl)c2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cc3)n12,ZWMDMOCTZRJCLN-UHFFFAOYSA-N,3,1,0.333,69,38,480.894,5.165,6,0.321,0.74,1.0,0.33233671441299434,0.5140583236241518,0.879977383318484,0.9062350078815709,0.6581518573093001
EOS-3-50823,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccn(C(F)F)n5)cn4)n23)cc1,MGWZPXAFXIUMLK-UHFFFAOYSA-N,3,1,0.548,89,398,490.474,3.426,5,0.355,0.74,1.0,0.4799276951545473,0.4247652662600233,0.5475378658076897,0.3503872250017134,0.45065451305599347
EOS-3-50824,Cc1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(-c2nc(C)nn2C(F)F)n1,TXXGNMSZOLIEOP-UHFFFAOYSA-N,3,1,0.293,10,195,484.474,4.309,6,0.359,0.62,0.505,0.017459392776368994,0.1203138921252827,0.24525392365156604,0.2489120005482832,0.15798480227537523
EOS-3-50825,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)cc2F)ccn1,GCUMKDWSXKLJBW-UHFFFAOYSA-N,3,1,0.506,27,343,467.386,4.438,5,0.269,0.67,1.0,0.8017613597423069,0.8866424508258516,0.9384894798163251,0.9095761085600713,0.8841173497361388
EOS-3-50826,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nn5)n34)cn2)s1,XPWCBKCIOAZKCU-UHFFFAOYSA-N,3,1,0.456,27,52,484.467,4.314,5,0.363,0.68,1.0,0.5535775478034405,0.6413799602494689,0.5963265026386129,0.39825063395243643,0.5473836611609897
EOS-3-50827,CCn1c(C)nc(-c2ccncc2)c1-c1cncc2nnc(-c3ccc(-c4cncc(F)n4)nc3)n12,WWFUUIDOTCODEK-UHFFFAOYSA-N,3,1,0.318,86,790,478.495,4.036,6,0.365,0.54,0.932,0.17342025906380645,0.2489034336234665,0.16327702008087178,0.18545678843122473,0.19276437529984236
EOS-3-50828,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccccc1,LFMBNCRDHWPPOU-UHFFFAOYSA-N,3,1,0.524,1,347,448.935,5.761,5,0.33,0.76,1.0,0.8670070591460489,0.8325594544582277,0.8355921458433281,0.8102254814611747,0.8363460352271948
EOS-3-50829,Fc1cc(-c2cncc(-c3cncc4nnc(-c5cc(C(F)(F)F)ccc5F)n34)c2)ccn1,AKNSOWJHTJZTEH-UHFFFAOYSA-N,3,1,0.33,96,315,454.362,5.212,5,0.277,0.74,1.0,0.3833356178466178,0.6515574669316702,0.9969758755397162,0.9961448838324994,0.7570034610376258
EOS-3-50830,COc1cc(-c2cnnn2C)ccc1-c1nnc2cncc(OCc3cc(Cl)ncc3Cl)n12,DLXVUTJFWPJFIP-UHFFFAOYSA-N,3,1,0.436,16,79,483.319,3.876,5,0.335,0.69,1.0,0.4415650058255089,0.4779658693715304,0.6416027002947022,0.6046364197107806,0.5414424988006306
EOS-3-50831,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cc(Cl)n1,XHOHGFHPTIKJBV-UHFFFAOYSA-N,3,1,0.469,75,279,483.294,4.106,5,0.333,0.62,0.665,0.8467891165787129,0.8325680213830443,0.5238160509903365,0.6315194297854843,0.7086731546843945
EOS-3-50832,Cc1nc(-c2cccc(F)c2)c(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)s1,NJBNNJLYUHMLLD-UHFFFAOYSA-N,3,1,0.375,32,20,465.517,5.486,6,0.343,0.68,1.0,0.08845349873209513,0.35382256185319716,0.47508738263313,0.5382941539305051,0.36391439928723185
EOS-3-50833,Cc1ccc(F)c(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)c2)n1,SCIGALIQCLFPMJ-UHFFFAOYSA-N,3,1,0.429,13,995,452.371,4.905,5,0.285,0.66,1.0,0.7587553971626345,0.7809437324378041,0.957936399150161,0.9444520594887259,0.8605218970598314
EOS-3-50834,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)cc(Cl)n2)nn1,XQTMFGGAMFHVJE-UHFFFAOYSA-N,3,1,0.512,59,16,482.306,4.977,5,0.327,0.69,0.998,0.7292594750188472,0.7975121650332396,0.8158111164416421,0.8517065314234802,0.7985723219793024
EOS-3-50835,Cn1nccc1-c1ccc(-c2nnc3cncc(Oc4ccc(Br)cc4F)n23)c(F)c1,AXLPNRPOLJJGCQ-UHFFFAOYSA-N,3,1,0.488,13,145,483.276,5.025,5,0.359,0.72,1.0,0.5432030018504558,0.7003461037625934,0.9189997258584058,0.9072202042354877,0.7674422589267357
EOS-3-50836,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)cc1F,BRPHGGRPLOEITF-UHFFFAOYSA-N,3,1,0.54,88,80,482.853,4.941,5,0.341,0.7,1.0,0.8992015626070866,0.9491981358371598,0.917192104722089,0.9412137619080255,0.9267013912685903
EOS-3-50837,Cn1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1ccc(C(F)F)nc1,KVBRHTAVDRRAHZ-UHFFFAOYSA-N,3,1,0.573,95,54,481.894,4.799,5,0.332,0.71,0.999,0.48972825714481527,0.5605167569049414,0.8139006922075251,0.7972808580631896,0.6653566410801179
EOS-3-50838,Cc1nc(-c2ccc(F)nc2)c(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)s1,WMQBMLSOMMRTCH-UHFFFAOYSA-N,3,1,0.449,55,434,454.878,3.78,5,0.292,0.64,0.995,0.6623260914262217,0.7003546706874101,0.2743214995545199,0.31247001576314165,0.4873680693578234
EOS-3-50839,Cc1nc(-c2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)o1,PKHMKRRDTFZSHO-UHFFFAOYSA-N,3,1,0.455,83,533,422.275,5.729,5,0.372,0.74,1.0,0.3532657117401138,0.6806250428346241,0.8229987663628264,0.9072287711603043,0.6910295730244671
EOS-3-50840,Fc1cc(-c2cn3cccnc3n2)cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c1,OFTASTWGPURYOU-UHFFFAOYSA-N,3,1,0.505,35,429,486.898,4.31,6,0.346,0.68,1.0,0.8467976835035296,0.8059762867521074,0.6474282091700363,0.7061202110890274,0.7515805976286751
EOS-3-50841,Fc1cc(Oc2cncc3nnc(-c4cc(Cl)nc(-c5ncccc5F)c4)n23)ccc1Cl,GAHWTKNBUUCNGG-UHFFFAOYSA-N,3,1,0.566,13,573,471.254,5.626,5,0.317,0.73,1.0,0.8992101295319033,0.8787865807689672,0.9439380439997258,0.965492426838462,0.9218567952847646
EOS-3-50842,Fc1cc(-c2nccnc2-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)ccn1,CIZSVZYSSMRJIH-UHFFFAOYSA-N,3,1,0.354,51,48,469.362,3.17,5,0.283,0.57,1.0,0.6126807621136316,0.6133575491741484,0.8158196833664588,0.72513878418203,0.6917491947090673
EOS-3-50843,Clc1ccc(-c2nnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)s5)n34)s2)cn1,WFJDHALUFSFJQA-UHFFFAOYSA-N,3,1,0.296,70,887,474.962,5.149,6,0.326,0.67,0.999,0.06737886368309232,0.1530481118497704,0.270243643341786,0.4108183126584881,0.22537223288328423
EOS-3-50844,CC(C)N1CCN(C(=O)c2ccc(Cc3cncc4nnc(-c5cnc(C(F)F)cn5)n34)nc2)CC1,CXUGFAGUJSVRBA-UHFFFAOYSA-N,3,1,0.308,78,878,493.522,2.671,5,0.404,0.77,0.997,0.02675450620245357,0.016534164896168872,0.008541224042217806,0.022411075320402988,0.01856024261531081
EOS-3-50845,Cc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nc(C)c(F)s1,NSWNAVFQFPZDFF-UHFFFAOYSA-N,3,1,0.462,18,578,465.489,4.221,5,0.347,0.53,1.0,0.6744225892673565,0.5897471043794119,0.31829552463847577,0.27892193818107053,0.4653467891165787
EOS-3-50846,Cc1ccc(-c2nnc3cncc(OCc4cccc(-n5ccc(C#N)n5)n4)n23)cn1,ARCYHJLOKRAXSM-UHFFFAOYSA-N,3,1,0.467,4,205,409.413,2.526,5,0.434,0.62,1.0,0.3043742718113906,0.36352032074566515,0.27433006647933655,0.20814200534576108,0.2875916660955383
EOS-3-50847,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)c(F)c4F)n23)c1,JMARABHSTZMSSE-UHFFFAOYSA-N,3,1,0.308,25,791,485.433,4.128,6,0.346,0.64,1.0,0.1761702419299568,0.32514049756699337,0.712168460009595,0.7668340072647523,0.4950783016928243
EOS-3-50848,COc1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1cscn1,MJVORDHKNBNYMV-UHFFFAOYSA-N,3,1,0.5,11,777,482.928,4.732,5,0.331,0.68,1.0,0.8626893290384483,0.8174730998560756,0.6722551572887396,0.6315279967103009,0.7459863957233912
EOS-3-50849,CCc1nc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)nc5)n34)n2)no1,IJMSNNDVJOFDLF-UHFFFAOYSA-N,3,1,0.327,10,77,482.895,3.971,6,0.355,0.57,0.948,0.1517459392776369,0.35383112877801387,0.08253375368377767,0.1854653553560414,0.19339404427386747
EOS-3-50850,Fc1ccc(F)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c1F,FHJSHLKCIYGLEB-UHFFFAOYSA-N,3,1,0.507,57,417,453.811,5.716,5,0.326,0.72,1.0,0.9663919539442122,0.9820951271331643,0.983028921938181,0.9871239120005483,0.9796599787540264
EOS-3-50851,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cnnc(-c4cnccn4)c3)n12,USWUTFQORQPEOB-UHFFFAOYSA-N,3,1,0.46,92,466,414.433,1.702,5,0.408,0.49,1.0,0.2771742855184703,0.127501542046467,0.044753615242272636,0.03366801452950449,0.1207743643341786
EOS-3-50852,CCn1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ccc(Cl)cc1,RTUOTMABSQMOSY-UHFFFAOYSA-N,3,1,0.443,95,562,480.359,4.998,5,0.326,0.73,0.996,0.41626687684188884,0.44248166678089235,0.4580049345486944,0.6079004180659311,0.48116347405935167
EOS-3-50853,C#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnncn5)n34)nn2C)cn1,SBCQJWPRDWYJAG-UHFFFAOYSA-N,3,1,0.38,92,105,410.401,1.332,5,0.395,0.61,1.0,0.14901309026111986,0.10437941196628059,0.13252175998903434,0.10277739702556371,0.12217291481049962
EOS-3-50854,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc(-c2cncs2)c1,XQDODYNHQMVTDE-UHFFFAOYSA-N,3,1,0.595,1,676,453.449,5.571,5,0.336,0.7,1.0,0.952136591049277,0.9102957302446714,0.9730655883763965,0.9615173737235282,0.9492538208484683
EOS-3-50855,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(C(F)(F)F)cn5)n34)c2)nc1,LXNPVONCEBCELH-UHFFFAOYSA-N,3,1,0.532,87,307,481.413,4.423,5,0.332,0.64,1.0,0.8326108560071277,0.832576588307861,0.9630851209649784,0.9237629360564732,0.8880088753341101
EOS-3-50856,FC(F)(F)c1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)cnn4)n23)ccc1Cl,WRNHBLPMQIKRSW-UHFFFAOYSA-N,3,1,0.467,27,817,484.829,4.29,5,0.364,0.64,1.0,0.8326194229319444,0.930368035090124,0.969493180727846,0.9412223288328422,0.918425741895689
EOS-3-50857,CCn1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccc(F)cc6)nc5F)n34)ncn2)cn1,CZSJTFHDEKEVDB-UHFFFAOYSA-N,3,1,0.329,32,572,481.47,4.472,6,0.335,0.64,1.0,0.22352820231649648,0.32959529847166064,0.589772805153862,0.6016122952504969,0.436127150298129
EOS-3-50858,Fc1cc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1ccncc1,WSRGZLFWTJCWFI-UHFFFAOYSA-N,3,1,0.538,57,236,452.276,6.092,5,0.33,0.79,1.0,0.8959375642519362,0.9365876225070249,0.9740764855047632,0.9849821807963813,0.9478959632650265
EOS-3-50859,Cn1nnc(-c2ccnc(Cc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)n1,RVSOYGQYPYGTCD-UHFFFAOYSA-N,3,1,0.372,22,784,405.372,2.246,5,0.452,0.73,1.0,0.3271708587485436,0.40634637790418754,0.32188506613665957,0.407520046604071,0.36573058734836544
EOS-3-50860,OCc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)nc2F)c1,NVTNTLAOUSCIRR-UHFFFAOYSA-N,3,1,0.396,46,469,481.85,3.646,5,0.366,0.57,0.728,0.6438386676718525,0.6951888150229594,0.8285329997943938,0.8126841888835583,0.7450611678431911
EOS-3-50861,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1CCC#N,XPCKBYKBLAFYQY-UHFFFAOYSA-N,3,1,0.337,96,336,474.45,5.016,5,0.343,0.7,0.708,0.25879823178671785,0.4158213967514221,0.677815091494757,0.7171030087039956,0.5173844321842231
EOS-3-50862,COc1ccc(Cl)nc1COc1cncc2nnc(-c3ccc(F)c(-c4nnc(C)s4)c3)n12,GOVXUXFXAHVQAB-UHFFFAOYSA-N,3,1,0.452,4,554,483.916,4.393,5,0.328,0.73,1.0,0.7137105064765952,0.755439997258584,0.4103985333424714,0.38916969364676857,0.5671796826811049
EOS-3-50863,Fc1cc(Cl)nnc1CCOc1cncc2nnc(-c3cncc(-c4ccc(Cl)cc4)c3)n12,ATMFRRIZFHDEAJ-UHFFFAOYSA-N,3,1,0.506,37,137,482.306,4.711,5,0.346,0.65,1.0,0.7847474470564046,0.8892382290453019,0.72513878418203,0.8388304434240285,0.8094887259269413
EOS-3-50864,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5nnnn5C)n34)c2)cs1,DKQBLQGALJTSBD-UHFFFAOYSA-N,3,1,0.449,36,506,405.447,2.326,5,0.438,0.79,1.0,0.2666541018436022,0.24396888492906585,0.022453909944486327,0.020851895003769445,0.13848219793023098
EOS-3-50865,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,XZAZWYDWKHAAOW-UHFFFAOYSA-N,3,1,0.731,23,17,407.207,4.955,4,0.449,0.83,1.0,0.9970701117126997,0.9953224590500994,0.9878606675347817,0.995176821328216,0.9938575149064491
EOS-3-50866,Cc1cncc(-c2ccc(CCCc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cn2)n1,UGSKYXGSBHOAID-UHFFFAOYSA-N,3,1,0.505,85,580,476.371,5.434,5,0.325,0.72,1.0,0.44638818449729284,0.631913508327051,0.5707627989856761,0.6807449797820574,0.5824523678980194
EOS-3-50867,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccccc6)s5)n34)cn2)nc1F,SRMSOWDMHHMRBT-UHFFFAOYSA-N,3,1,0.325,30,93,465.517,5.486,6,0.32,0.7,0.431,0.16270303611815504,0.31545987252415875,0.5204064149133028,0.5383027208553218,0.38421801110273457
EOS-3-50868,COC(=O)CCc1ccc(COc2cncc3nnc(-c4ccnc(-c5cn(C)nc5C)c4)n23)nc1,VWBLSJRATBAQFJ-UHFFFAOYSA-N,3,1,0.455,92,986,484.52,2.975,5,0.306,0.71,0.873,0.16804879720375573,0.024312932629703243,0.09013261599616201,0.033676581454321154,0.07904273182098553
EOS-3-50869,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4-c4ncnn4C)n23)nc1,MEGGDTZTLDWJFT-UHFFFAOYSA-N,3,1,0.375,56,318,484.911,3.828,6,0.362,0.67,1.0,0.4557946679459941,0.555419436639024,0.27433863340415326,0.2817747241450209,0.3918318655335481
EOS-3-50870,O=c1[nH]nc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)c2)s1,QNEPLLUZAZMCQY-UHFFFAOYSA-N,3,1,0.469,87,35,470.877,2.807,5,0.376,0.49,0.961,0.5147351106846686,0.5006767870605168,0.3478257144815297,0.3982592008772531,0.4403742032759921
EOS-3-50871,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2)s1,ANAKBOGJZMOTCA-UHFFFAOYSA-N,3,1,0.547,15,848,453.98,5.56,5,0.336,0.68,1.0,0.905506819272154,0.9083082036872044,0.4613717360016448,0.4796963881844973,0.688720786786375
EOS-3-50872,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccccc4OC(F)F)n23)s1,KYVOKILZKJRWOO-UHFFFAOYSA-N,3,1,0.384,96,697,453.449,5.631,5,0.345,0.71,0.966,0.4073315742581043,0.6133661160989651,0.8636659584675485,0.8826930984853677,0.6917641868274964
EOS-3-50873,COc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,TVBFMZJYTXPARN-UHFFFAOYSA-N,3,1,0.464,58,954,478.875,3.461,5,0.324,0.55,1.0,0.8172160921115756,0.7003632376122267,0.2558597765746008,0.25513158796518404,0.5071426735658968
EOS-3-50874,c1cnc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)nc1,FTLXHWQWRNLHTB-UHFFFAOYSA-N,3,1,0.299,42,608,408.385,2.484,6,0.432,0.61,1.0,0.04543040230278939,0.06795284764580906,0.09014118292097868,0.10928825988623124,0.07820317318895209
EOS-3-50875,CC(C)n1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)nc1,JWALEIJCJWZCGL-UHFFFAOYSA-N,3,1,0.337,32,20,476.519,5.499,6,0.327,0.77,0.976,0.10798608731409773,0.2692584469878692,0.6383729696388184,0.5928483311630457,0.40211645877595775
EOS-3-50876,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)ccc(F)c5Cl)cc4F)n23)cn1,MADXKBMUTMPXGP-UHFFFAOYSA-N,3,1,0.385,45,405,451.839,5.899,5,0.32,0.77,1.0,0.43447159207730796,0.7003718045370434,0.9865413611130148,0.9903707765060654,0.7779388835583578
EOS-3-50877,Cc1cc(-c2ncsc2-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)ccc1F,JEVGHJDHFCETKP-UHFFFAOYSA-N,3,1,0.409,45,46,439.878,5.822,5,0.355,0.7,1.0,0.2939054896854225,0.5989051470084299,0.9272239736824069,0.9547752038928107,0.6937024535672676
EOS-3-50878,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)c2)cn1,RUAZFQURNZYQJJ-UHFFFAOYSA-N,3,1,0.311,69,645,446.539,5.952,6,0.335,0.78,1.0,0.12413474059351655,0.14913302720855323,0.7303217736961141,0.7251473511068467,0.43218422315125765
EOS-3-50879,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccccc4-c4ccccc4)n23)cn1,WJRDKRLIWFERJN-UHFFFAOYSA-N,3,1,0.442,12,363,473.54,5.316,6,0.312,0.74,1.0,0.4848022753752313,0.2743814680282366,0.5835789185114112,0.5481546843944898,0.4727293365773422
EOS-3-50880,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)cn5)s4)n23)ccc1Cl,PPZMUUMWYASUGM-UHFFFAOYSA-N,3,1,0.484,4,390,469.357,5.504,5,0.338,0.73,1.0,0.7875059968473717,0.8704509629223494,0.7479867726680831,0.7904787197587554,0.79910561304914
EOS-3-50881,COCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)cn2C)s1,NJWAVRDTKACFBJ-UHFFFAOYSA-N,3,1,0.447,59,109,467.501,4.862,5,0.342,0.63,1.0,0.489736824069632,0.47333972997052975,0.8636745253923651,0.8038259886231238,0.6576442670139127
EOS-3-50882,N=c1cnc(-c2cccc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)n[nH]1,XAHYSEHUXZEUOU-UHFFFAOYSA-N,3,1,0.53,15,361,412.417,1.467,5,0.427,0.64,1.0,0.7350078815708313,0.46461003358234526,0.12962613940100062,0.10071276814474676,0.35748920567473097
EOS-3-50883,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)cnc2Cl)nn1,YZEHYRURYDHCBI-UHFFFAOYSA-N,3,1,0.461,4,554,475.296,4.125,5,0.35,0.61,1.0,0.5458330477691727,0.7190048660132958,0.509903365088068,0.6016208621753135,0.5940905352614625
EOS-3-50884,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)nc4CC)n23)ccc1-c1nccn1C,CTNCBXKDBUEAFM-UHFFFAOYSA-N,3,1,0.356,31,690,475.944,3.734,5,0.35,0.53,0.105,0.3695171681173326,0.3588770474950312,0.029890000685353985,0.03152628332533754,0.19745262490576382
EOS-3-50885,Clc1ccc(-c2nnc3cncc(OCc4nc(-c5ncc(Cl)nn5)ccc4Cl)n23)nc1,UJTVUYUPLWUWTQ-UHFFFAOYSA-N,3,1,0.407,46,915,486.71,3.973,5,0.363,0.63,0.939,0.5330083613186211,0.6904513055993421,0.3438335275169625,0.5514529504489069,0.5296865362209582
EOS-3-50886,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnn6-c6ccccc6)nc5)n34)cn2)cc1,DZBYTNIOWYXIKM-UHFFFAOYSA-N,3,1,0.272,30,668,481.523,4.892,7,0.348,0.65,0.855,0.013972654375985197,0.07526900143924337,0.4787197587553972,0.5116510177506682,0.2699031080803235
EOS-3-50887,Fc1c(Cl)cccc1Cc1nc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cn4)n23)n[nH]1,YIBWCYFNXFTDQV-UHFFFAOYSA-N,3,1,0.286,22,315,474.809,4.374,5,0.388,0.57,0.091,0.28285415667192104,0.39201391268590224,0.9610204920841615,0.9567627304502776,0.6481628229730656
EOS-3-50888,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)nc(Cl)n4)n23)c(F)c1,HCEACUALHIAKIP-UHFFFAOYSA-N,3,1,0.511,34,10,469.814,4.293,5,0.28,0.65,1.0,0.8603077239394147,0.9471420738811597,0.8825988623123844,0.8950808717702693,0.8962823829758071
EOS-3-50889,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccc5C(F)(F)F)s4)n23)nc1,QFMCAFONYHCIIF-UHFFFAOYSA-N,3,1,0.457,46,267,472.427,5.047,5,0.333,0.66,0.996,0.7168374340346789,0.7190134329381125,0.9510914262216434,0.9119405798094716,0.8247207182509766
EOS-3-50890,O=C(NC1CCCCC1F)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nc4F)n23)cc1,LWKCWFPAMKKCKA-UHFFFAOYSA-N,3,1,0.385,63,334,483.91,3.975,5,0.34,0.59,0.993,0.2966469056267562,0.2489120005482832,0.28192892879172093,0.43920910150092524,0.3166742341169214
EOS-3-50891,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)cn1,DFWYKAPRNNQPEH-UHFFFAOYSA-N,3,1,0.483,72,22,406.793,2.864,5,0.434,0.69,1.0,0.6237149612774998,0.6464858474402029,0.32920978685491054,0.33118017956274415,0.4826476937838393
EOS-3-50892,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)cn1,ALVVBFAUVMNQOM-UHFFFAOYSA-N,3,1,0.47,73,261,404.796,3.498,5,0.454,0.76,1.0,0.3219536015351929,0.4866184634363649,0.42874031937495716,0.5866887122198615,0.45600027414159405
EOS-3-50893,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5F)n34)c2)o1,GMHJCCCOQIZSIO-UHFFFAOYSA-N,3,1,0.523,59,630,453.836,5.265,5,0.337,0.61,1.0,0.9481358371598931,0.8760108971283668,0.9352083476115414,0.9172777739702557,0.9191582139675142
EOS-3-50894,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(Cl)n5)ccc4F)n23)c(F)c1,ZRDCTNRIQHGYCH-UHFFFAOYSA-N,3,1,0.489,57,709,463.875,5.672,5,0.314,0.78,1.0,0.934857103694058,0.9492067027619766,0.9593842094441779,0.9609262559111781,0.9510935679528477
EOS-3-50895,c1cnc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)nc5)n34)cc2)nc1,QZRXEKKZBBVFHP-UHFFFAOYSA-N,3,1,0.259,42,608,487.447,2.336,7,0.348,0.62,1.0,0.0884620656569118,0.07870433829072716,0.0447621821670893,0.062101637996024944,0.0685075560276883
EOS-3-50896,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nn2)nc1,NYQOINRYBSFVDM-UHFFFAOYSA-N,3,1,0.296,38,465,487.447,2.336,7,0.348,0.62,1.0,0.06538277020080872,0.035167226372421354,0.04477074909190597,0.06884380782674251,0.053541138372969636
EOS-3-50897,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccns4)n23)cc(Cl)c1F,BZUCNBDCXQOEGT-UHFFFAOYSA-N,3,1,0.467,26,328,455.906,4.503,5,0.375,0.49,1.0,0.5073418545678843,0.5233277362757864,0.6206822698923994,0.6201425536289493,0.5678736035912548
EOS-3-50898,COc1nc(-c2cccc(F)c2Cl)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,YWGDOGDBTUFGTQ-UHFFFAOYSA-N,3,1,0.462,35,846,477.887,4.066,5,0.346,0.56,1.0,0.7790161743540539,0.695197381947776,0.5439740250839559,0.531903228017271,0.6375227023507642
EOS-3-50899,Cc1nnc(-c2ccc(Cl)c(CCc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)s1,KENTXBVBGZDQSL-UHFFFAOYSA-N,3,1,0.412,14,358,467.385,5.71,5,0.331,0.74,1.0,0.4008721129463368,0.6806336097594408,0.620690836817216,0.7741244602837366,0.6190802549516825
EOS-3-50901,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)nc(Cl)c5F)n34)cn2)s1,PFKGKUWNWPTUHQ-UHFFFAOYSA-N,3,1,0.446,55,109,471.88,4.524,5,0.348,0.58,1.0,0.7875145637721883,0.8358577205126447,0.7019995202522102,0.6778493591940237,0.7508052909327667
EOS-3-50902,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)ncn2)cc1Cl,NKSISVVFKKYLRU-UHFFFAOYSA-N,3,1,0.511,44,570,482.853,4.941,5,0.341,0.69,1.0,0.9293314371873073,0.9142365156603386,0.9517596463573436,0.9604122404221781,0.9389349599067919
EOS-3-50903,Cc1nc(C)c(-c2cncc(-c3nnc4cncc(OCc5ccns5)n34)c2)s1,AHWVAUXMRKHJQV-UHFFFAOYSA-N,3,1,0.519,2,36,421.511,3.962,5,0.424,0.48,1.0,0.26422109519566855,0.2131450894386951,0.0967891165787129,0.07444657665684326,0.16215046946747996
EOS-3-50904,Fc1cnc(-c2ccc(-c3nnc4cncc(CCc5c(F)cccc5Cl)n34)cc2)c(F)c1,WNXGQEXWGCXSKC-UHFFFAOYSA-N,3,1,0.4,57,358,465.866,5.709,5,0.333,0.69,1.0,0.6154735796038654,0.8096686313480913,0.9589986978274279,0.9746933040915633,0.839708553217737
EOS-3-50905,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(C(F)(F)F)c4)n23)c(F)c1,VROITJVIRCAXKO-UHFFFAOYSA-N,3,1,0.404,66,685,489.86,5.086,5,0.397,0.81,1.0,0.4511685285449935,0.6181978616955658,0.9711637310670962,0.9696216846000959,0.7525379514769378
EOS-3-50906,c1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)c1,LMWHEAPYVVETRQ-UHFFFAOYSA-N,3,1,0.275,8,973,408.389,1.614,6,0.46,0.61,1.0,0.025383798231786717,0.045447536152422724,0.04656980330340621,0.06365225138784182,0.04526334726886437
EOS-3-50907,Cc1ccc(-c2nc(C)ncc2-c2nnc3cncc(CCc4ccccc4)n23)cn1,YRGVYIVSTKJDNV-UHFFFAOYSA-N,3,1,0.407,14,886,407.481,4.045,5,0.437,0.71,1.0,0.12685902268521693,0.11691282297306559,0.2418357206497156,0.23435679528476458,0.17999109039819067
EOS-3-50908,Fc1cncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnc(Cl)c6)cn5)n34)nc2)c1,WUXFXFVFVSNTCM-UHFFFAOYSA-N,3,1,0.274,86,72,481.882,4.56,6,0.337,0.63,1.0,0.2694040847097526,0.4063549448290042,0.6885665821396751,0.7566136659584676,0.5302348194092249
EOS-3-50909,Cc1cccnc1-c1ccc(F)nc1-c1nnc2cncc(-c3cn(-c4ncccc4CO)nn3)n12,HGVWUUSITPDNGF-UHFFFAOYSA-N,3,1,0.257,10,37,480.467,2.831,6,0.37,0.52,0.998,0.037985744637105065,0.12396340209718319,0.16634397916523885,0.19912960043862654,0.13185568158453842
EOS-3-50910,COc1cc(-c2ccnn2C)c(F)cc1-c1nnc2cncc(-c3ccc(-c4nn[nH]n4)cc3F)n12,KWICDCMFMXZBGV-UHFFFAOYSA-N,3,1,0.316,61,219,486.446,3.326,6,0.394,0.55,1.0,0.30680727845932426,0.3779812898362004,0.6445497224316359,0.5806918648481941,0.4775075388938387
EOS-3-50911,Cc1cc(-c2cnc(F)nc2)ccc1-c1nnc2cncc(OCCCc3nncs3)n12,FAZBMYBHLUIQEM-UHFFFAOYSA-N,3,1,0.429,15,779,448.487,3.559,5,0.275,0.61,1.0,0.5586234665204578,0.6562864094304708,0.14750531149338633,0.17189534644643958,0.3835776334726887
EOS-3-50912,CCOc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,FLNNWWZNTBBDIG-UHFFFAOYSA-N,3,1,0.4,63,437,401.43,2.539,5,0.529,0.9,1.0,0.2745099719004866,0.1139829346857652,0.06516859708039202,0.06072236310054143,0.12859596669179632
EOS-3-50913,Cn1nc(Cl)c(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c1-c1cncnc1,GSDKNKPMYUDOQZ-UHFFFAOYSA-N,3,1,0.333,39,972,484.886,3.898,6,0.37,0.62,0.984,0.15175450620245357,0.20826194229319445,0.3218936330614762,0.4708039202247961,0.2881785004454801
EOS-3-50914,Cn1cc(-c2cccc(-c3cncc4nnc(-c5cccc(Cl)c5F)n34)c2)nn1,UXDBBNOATIITON-UHFFFAOYSA-N,3,1,0.338,96,46,405.824,4.046,5,0.453,0.78,1.0,0.13788465492426838,0.32063429511342606,0.778082379549037,0.8426769926667124,0.519819580563361
EOS-3-50916,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)c(Cl)c1F,ATMFPAFMYLMAKI-UHFFFAOYSA-N,3,1,0.519,2,884,455.877,5.425,5,0.331,0.68,1.0,0.7761890891645535,0.7935371119183058,0.9610290590089782,0.9640103488451786,0.873691402234254
EOS-3-50917,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncn5C)nc4NCC)n23)cc1F,WEIQKRQBHGMQQY-UHFFFAOYSA-N,3,1,0.301,61,413,486.515,2.969,5,0.359,0.67,0.997,0.12990028099513398,0.10438797889109726,0.08254232060859434,0.0440425604824892,0.0902182852443287
EOS-3-50918,Clc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)ncn2)cn1,JMPBKISUKKCKDU-UHFFFAOYSA-N,3,1,0.392,80,584,484.871,2.451,6,0.346,0.58,0.999,0.4998372284284833,0.5989137139332465,0.18250119936947434,0.16638681378932219,0.36190973888013156
EOS-3-50919,Fc1ncccc1-c1cncc2nnc(-c3cnc(-c4ccc(Cl)cn4)nc3)n12,AFRJISDNKQONQE-UHFFFAOYSA-N,3,1,0.329,50,261,404.796,3.498,5,0.425,0.85,1.0,0.3671955314920156,0.47797443629634706,0.5272685216914537,0.6374220409841683,0.5024651326159961
EOS-3-50920,c1cnc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)nn2)nc1,IJAULCYDGTWDNX-UHFFFAOYSA-N,3,1,0.297,98,618,409.373,1.879,6,0.424,0.59,1.0,0.015626070865602082,0.026583167706120212,0.05933452128024125,0.07053149201562607,0.0430188129668974
EOS-3-50921,CCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1nncc(C)n1,FBEWBIPNYYXNCS-UHFFFAOYSA-N,3,1,0.402,31,690,474.916,2.974,5,0.324,0.52,0.852,0.5380542800356384,0.5989222808580632,0.03093516551298746,0.03471317935713796,0.30065622644095674
EOS-3-50922,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cncn5C(F)F)cc4F)n23)ccn1,HNISSKCNUITMPE-UHFFFAOYSA-N,3,1,0.452,16,55,455.375,4.302,5,0.28,0.62,1.0,0.830100747035844,0.7767288054280036,0.9634620656569118,0.941976218216709,0.8780669590843672
EOS-3-50923,Cc1cc(Cl)ccc1-c1nnc2cncc(Oc3ccc(-c4cc(F)ccc4F)cn3)n12,RXFUVIFMSFLIRU-UHFFFAOYSA-N,3,1,0.402,57,417,449.848,5.886,5,0.342,0.74,1.0,0.9006922075251867,0.9459427044068262,0.9634706325817285,0.9680710712082791,0.9445441539305051
EOS-3-50924,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5cc[nH]n5)n4)n23)ccc1F,TZRRQDRPQGEJFP-UHFFFAOYSA-N,3,1,0.438,4,268,481.495,4.178,6,0.364,0.58,0.998,0.46018950037694467,0.5323058734836543,0.5028956205880337,0.4331522856555411,0.4821358200260435
EOS-3-50925,Cc1nc(-c2ncc(Cl)cn2)c(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)s1,KYFUFYBIXHHKFJ-UHFFFAOYSA-N,3,1,0.272,94,165,484.936,4.186,6,0.362,0.64,0.996,0.1572801727092043,0.29519909533273936,0.10986224384894798,0.18547392228085807,0.18695385854293745
EOS-3-50926,Fc1nccc(-c2cc(-c3nnc4cncc(Cc5ccc(Br)nc5)n34)ccc2F)n1,HXDJWSZDCCOFTQ-UHFFFAOYSA-N,3,1,0.346,14,81,480.276,4.275,5,0.282,0.66,1.0,0.4601980673017614,0.5605253238297581,0.8230073332876431,0.822621821670893,0.6665881365225139
EOS-3-50927,Cc1cccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cnc(Cl)c(F)c5)n34)nn2)n1,FCXVJDOSXMJPTR-UHFFFAOYSA-N,3,1,0.27,39,972,485.874,3.387,6,0.345,0.62,0.016,0.009509286546501268,0.10439654581591391,0.22361387156466314,0.31558837639640874,0.16327702008087175
EOS-3-50928,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5F)ncn4)n23)c(F)c1,BUMUGICEZPDNPR-UHFFFAOYSA-N,3,1,0.505,34,675,453.359,3.779,5,0.296,0.53,1.0,0.8515523267767802,0.9012661914879035,0.8989702556370365,0.892279487355219,0.8860170653142349
EOS-3-50929,O=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(Cl)n2)c[nH]1,IDHXACNIGGXGKO-UHFFFAOYSA-N,3,1,0.495,58,271,481.303,3.26,5,0.367,0.55,0.998,0.6266619834144336,0.6085172366527312,0.4648841751764787,0.5383112877801385,0.5595936707559455
EOS-3-50930,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)cnc5Cl)nc4)n23)nc1,DFILDJNDQAIDAC-UHFFFAOYSA-N,3,1,0.272,70,392,483.898,4.503,6,0.34,0.66,0.995,0.22353676924131313,0.30018504557604003,0.6115756288122816,0.6404118977451854,0.44392733534370504
EOS-3-50931,Fc1ccc(COc2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,HPXMTGFWLRJKPI-UHFFFAOYSA-N,3,1,0.595,57,533,449.848,5.364,5,0.361,0.58,1.0,0.8888441505037352,0.9545781646220273,0.9610376259337948,0.9645586320334453,0.9422546432732507
EOS-3-50932,Cc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cc(OCC(F)F)ccn4)n23)cc1,NRTDVGAWSYWXDB-UHFFFAOYSA-N,3,1,0.557,1,347,473.483,5.385,5,0.301,0.77,1.0,0.8301093139606607,0.7467959701185662,0.9220067164690563,0.8632547460763484,0.8405416866561579
EOS-3-50933,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cc(-c4cccnn4)ccc3Cl)n12,SLVGRSWLYQSDLT-UHFFFAOYSA-N,3,1,0.473,37,490,482.306,4.711,5,0.346,0.65,1.0,0.7902474127887054,0.8813309574395175,0.7849530532520047,0.854936262079364,0.8278669213898979
EOS-3-50934,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(CF)cs5)n34)c(Cl)c2)cs1,LXMSQJGIOIVZJI-UHFFFAOYSA-N,3,1,0.494,4,92,472.958,5.382,5,0.33,0.79,1.0,0.6266705503392502,0.7638184497292851,0.3781183606332671,0.41408231101363857,0.5456724179288602
EOS-3-50935,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)c(F)c2)cn1,KLTKQNXDIMYOQT-UHFFFAOYSA-N,3,1,0.636,4,10,406.446,3.971,5,0.442,0.77,1.0,0.5484630936878898,0.6708673154684395,0.67526214789939,0.6255397162634501,0.6300330683297923
EOS-3-50936,CC(C)Oc1ncccc1-c1ccc(-c2cncc3nnc(-c4cnc(C(C)C)c(F)c4)n23)nc1,VZSPYJFMLGZQCL-UHFFFAOYSA-N,3,1,0.324,82,336,469.524,5.36,5,0.331,0.7,0.971,0.49218696456719896,0.5187444314988692,0.6237063943526832,0.4075286135288877,0.5105416009869098
EOS-3-50937,Fc1cncc(-c2cc(-c3nnc4cncc(Oc5c(F)ccc(F)c5F)n34)cnn2)c1,FHMNMDIXZUKWHC-UHFFFAOYSA-N,3,1,0.383,13,995,439.332,3.992,5,0.309,0.52,1.0,0.7472157494345829,0.7809522993626208,0.9357908984990748,0.9352254814611747,0.8497961071893634
EOS-3-50938,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c(Cl)c2F)n(C)n1,LTYNCSXANRNYNU-UHFFFAOYSA-N,3,1,0.541,37,265,482.882,3.843,5,0.363,0.57,1.0,0.5839472962785278,0.7145671989582619,0.5439825920087725,0.5836474539099444,0.6065361352888766
EOS-3-50939,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4F)n23)cn1,NBXQOPQUJGAMCT-UHFFFAOYSA-N,3,1,0.5,57,962,467.838,5.503,5,0.319,0.72,1.0,0.9602494688506613,0.9695874169008293,0.980244671372764,0.9861044479473648,0.9740465012679049
EOS-3-50940,CCCn1cnc(COc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1CC,SNHDJXMISVRKKZ-UHFFFAOYSA-N,3,1,0.505,63,536,405.462,2.638,4,0.482,0.72,1.0,0.2588067987115345,0.04545610307723939,0.024312932629703243,0.00957782194503461,0.08453841409087794
EOS-3-50941,Clc1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(Cl)n4)n23)cc1,JGNPHZSTBFRELV-UHFFFAOYSA-N,3,1,0.616,90,708,407.648,4.121,4,0.374,0.82,1.0,0.8492392570762799,0.9618086491672949,0.7688472345966691,0.8756168185868001,0.863877989856761
EOS-3-50942,COc1ncccc1-n1nnc(-c2cncc3nnc(-c4nncnc4-c4ccc(Cl)cc4)n23)n1,FYIOZDCDPDACDH-UHFFFAOYSA-N,3,1,0.269,10,356,484.871,2.343,6,0.355,0.58,0.998,0.14042903159481873,0.2640411897745185,0.032194503461037624,0.07255328627235967,0.12730450277568364
EOS-3-50943,Fc1cnc(F)c(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)nc5)n34)cc2)c1,PREMQXYFBPQEMA-UHFFFAOYSA-N,3,1,0.264,64,885,482.429,4.79,6,0.334,0.68,0.935,0.35561304913988073,0.442490233705709,0.8338873278048112,0.8618326365567816,0.6234558118017957
EOS-3-50944,Fc1cc(-c2ccnc(F)c2)cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,JLMKKPCGEVGIRE-UHFFFAOYSA-N,3,1,0.523,57,962,451.383,4.989,5,0.278,0.67,1.0,0.9399544239599753,0.9142450825851552,0.9854876293605648,0.9852563223905147,0.9562358645740525
EOS-3-50945,Fc1cc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)ccn1,WHXRWTNIZCQUDB-UHFFFAOYSA-N,3,1,0.471,59,89,468.826,4.898,5,0.341,0.57,1.0,0.8775872112946337,0.9273439106298403,0.9686450551709959,0.9713950380371462,0.9362428037831539
EOS-3-50946,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)c(-c2ccc(Cl)nc2)n1,CRJFFTTUNVNWBC-UHFFFAOYSA-N,3,1,0.321,42,762,479.935,4.673,6,0.338,0.63,1.0,0.2854756356658214,0.24892056747309985,0.4750959495579467,0.4766808306490302,0.3715432458364745
EOS-3-50947,CN(C)c1nccnc1-c1cc(F)c(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1,MZUMAABLWUPOOD-UHFFFAOYSA-N,3,1,0.43,55,283,477.891,3.476,5,0.339,0.54,1.0,0.4139623740662052,0.5848039887601947,0.32921835377972725,0.2758978137207868,0.4009706325817285
EOS-3-50948,CCc1cnc(Cc2cncc3nnc(-c4cnc(-c5cncc(C)n5)cn4)n23)cn1,IQEWFCIZJDPRJG-UHFFFAOYSA-N,3,1,0.263,7,674,410.445,2.29,5,0.429,0.53,1.0,0.11610753204029882,0.06796141457062572,0.030943732437804124,0.022419642245219657,0.059358080323487085
EOS-3-50949,Cc1cnc(-c2cc(-c3nnc4cncc(-c5scnc5-c5cncnc5)n34)ccc2Cl)cn1,YPHBYFQEEUYHCN-UHFFFAOYSA-N,3,1,0.31,94,165,483.948,4.791,6,0.352,0.7,0.975,0.18216708930162429,0.39202247961071895,0.4254077856212734,0.4858988417517648,0.3713740490713454
EOS-3-50950,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc5cnccc45)n23)c(F)c1,WSZZYWMXSPGGAX-UHFFFAOYSA-N,3,1,0.461,26,393,480.507,4.379,6,0.335,0.61,1.0,0.6923445959838257,0.6854910561304914,0.5897813720786786,0.545156260708656,0.6281933212254129
EOS-3-50951,Cc1cc(-c2nnc3cncc(OCCc4nccnc4Cl)n23)cc(-c2ccc(F)cc2F)n1,QIRIAUGDNKMYDB-UHFFFAOYSA-N,3,1,0.495,37,490,479.878,4.505,5,0.354,0.58,1.0,0.8670156260708656,0.870459529847166,0.6832036872044411,0.7360616133232815,0.7891851141114385
EOS-3-50952,Cn1c(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n2)nnc1C(C)(F)F,QQAVFQLPEAIRGV-UHFFFAOYSA-N,3,1,0.389,31,924,484.858,3.116,5,0.357,0.58,1.0,0.39228805428003566,0.5415752861352888,0.182509766294291,0.17712973750942362,0.32337571105475976
EOS-3-50953,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ncco5)n34)c(F)cn2)nc1,GRNLQTURWGDVHI-UHFFFAOYSA-N,3,1,0.447,46,915,407.34,3.094,5,0.438,0.65,1.0,0.5227366184634363,0.295207662257556,0.5508875334110068,0.5383198547049551,0.47678791720923863
EOS-3-50954,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(-c6nncs6)n5)n34)c2)cn1,KTQILXZGDUEIIL-UHFFFAOYSA-N,3,1,0.489,81,218,485.508,3.823,6,0.35,0.66,1.0,0.3716931670207662,0.47334829689534647,0.3365602083476115,0.3216451922417929,0.37581171612637926
EOS-3-50955,Cc1cc(-c2nnc3cncc(-c4scnc4-c4ccccc4)n23)c(C)c(-c2ccccn2)n1,UHFQMYJMLKAYJT-UHFFFAOYSA-N,3,1,0.312,30,371,461.554,5.656,6,0.337,0.68,0.995,0.030052772256870672,0.0917860324857789,0.2595863888698513,0.29663833870193956,0.1695158830786101
EOS-3-50956,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccsc5Cl)cn4)n23)cn1,YMRNGTIRRDKRJH-UHFFFAOYSA-N,3,1,0.55,4,390,455.33,5.196,5,0.339,0.65,1.0,0.615482146528682,0.7894249880063052,0.797529298882873,0.8407922692070454,0.7608071756562265
EOS-3-50957,Cc1csc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cccs5)n34)c2)n1,FCGDVZPCIZCKFR-UHFFFAOYSA-N,3,1,0.607,11,684,453.98,5.56,5,0.336,0.7,1.0,0.7647608114591187,0.8291069837571106,0.45459529847166064,0.48886299773833186,0.6343315228565554
EOS-3-50958,COc1nncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,MZTOFHWUOMXWJF-UHFFFAOYSA-N,3,1,0.375,63,334,402.418,1.468,5,0.515,0.78,1.0,0.33940442738674526,0.07871290521554383,0.014289630594201906,0.012559111781235009,0.11124151874443151
EOS-3-50959,Fc1cc(-c2ncccn2)nnc1-c1cc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)[nH]n1,UAONTSKLAKDMIE-UHFFFAOYSA-N,3,1,0.33,50,243,487.409,3.567,6,0.387,0.62,0.018,0.24013090261119868,0.3920310465355356,0.49934891371393325,0.4950311836063327,0.40663551161675004
EOS-3-50960,Fc1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)cc1,CNNWAWQBRAPJON-UHFFFAOYSA-N,3,1,0.36,76,653,463.548,5.301,6,0.353,0.65,0.999,0.10047289424988007,0.22859125488314713,0.30712425467754095,0.4521108902748269,0.27207482352134876
EOS-3-50961,Fc1nc(-c2cncc3nnc(-c4nncnc4-c4cccc(C(F)F)c4)n23)ccc1-c1nc[nH]n1,OXKCKJWBWPDYCA-UHFFFAOYSA-N,3,1,0.238,10,543,487.409,3.567,6,0.362,0.66,0.785,0.23471660612706463,0.32514906449181,0.5508961003358235,0.5928568980878623,0.42590466726064014
EOS-3-50962,Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5ccc(Cl)cc5Cl)cn4)n23)cn1,RIRQBTAINQDZRJ-UHFFFAOYSA-N,3,1,0.588,11,275,477.355,5.485,5,0.322,0.77,1.0,0.8647967925433486,0.9303766020149408,0.8211226098279761,0.848125556850113,0.8661053903090946
EOS-3-50963,Cc1nc(-c2cccnc2F)c(-c2cncc3nnc(-c4ncc(C(F)F)cc4F)n23)n1C,DEUOVSDGGRONIW-UHFFFAOYSA-N,3,1,0.267,50,243,454.391,4.173,5,0.299,0.59,0.302,0.1932869577136591,0.32064286203824277,0.6885751490644918,0.7007059146048934,0.4758027208553217
EOS-3-50964,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)c2)nc(CF)n1,SPMMGFRQYUYSHA-UHFFFAOYSA-N,3,1,0.612,43,11,478.89,5.398,5,0.325,0.77,1.0,0.9553063532314441,0.9037334658351038,0.8420173394558289,0.8327564937290111,0.8834534130628471
EOS-3-50965,Cc1cccn1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)nc1,HISQXXQEPOODDX-UHFFFAOYSA-N,3,1,0.442,6,414,465.542,4.988,6,0.345,0.58,1.0,0.25588547734905076,0.21315365636351175,0.5406843259543554,0.467736961140429,0.36936510520183674
EOS-3-50966,c1cncc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccno6)cc5)n34)n2)c1,IUVJRTWVVRDNDH-UHFFFAOYSA-N,3,1,0.296,8,927,408.385,2.484,6,0.432,0.63,1.0,0.023327736275786444,0.06438043999725858,0.10987081077376465,0.1557895277911041,0.08834212870947844
EOS-3-50967,Clc1ccc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccc4Cl)n23)s1,HIRIWDOBSJSDEZ-UHFFFAOYSA-N,3,1,0.541,97,31,454.342,5.801,5,0.336,0.77,1.0,0.6776180522239736,0.8018727297649236,0.8420259063806456,0.8922880542800357,0.8034511856623947
EOS-3-50968,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncsn5)nc4Cl)n23)ncc1Cl,OSIRSLRSPLBVNB-UHFFFAOYSA-N,3,1,0.477,73,338,475.296,4.125,5,0.35,0.57,1.0,0.5670961551641422,0.6904598725241587,0.5135528750599685,0.6315365636351176,0.6006613665958468
EOS-3-50969,COc1cc(-c2nnc3cncc(OC4CCOCC4)n23)ccc1-c1ccccn1,DWUYCVZTTPBWOQ-UHFFFAOYSA-N,3,1,0.418,5,548,403.442,3.42,5,0.505,0.83,1.0,0.4232146528682064,0.08566924816667809,0.16328558700568843,0.21975018847234595,0.2229799191282297
EOS-3-50970,CCc1nc(-c2nnc3cncc(OCc4n[nH]c(-c5ccon5)n4)n23)ccc1-c1cnc(C)nc1,KMIPYOFBBDAKAD-UHFFFAOYSA-N,3,1,0.346,51,690,481.48,2.866,6,0.357,0.62,0.894,0.2882684531560551,0.22859982180796382,0.03481598245493798,0.020860461928586115,0.14313617983688576
EOS-3-50971,CCn1cnc(C)c1CCOc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)n3)n12,XFINTBHKTJDUCN-UHFFFAOYSA-N,3,1,0.394,49,456,462.539,3.465,5,0.345,0.51,0.99,0.1960797752038928,0.07527756836406004,0.02764546638338702,0.01212219861558495,0.07778125214173119
EOS-3-50972,FC(F)Cn1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4)n23)cn1,SEMHFIYRTQVSLY-UHFFFAOYSA-N,3,1,0.293,50,336,405.372,2.772,5,0.443,0.74,1.0,0.14902165718593655,0.10131245288191351,0.5573384277979576,0.5612963470632581,0.34224222123226644
EOS-3-50973,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)c1,YLPYVWSYSGPEQS-UHFFFAOYSA-N,3,1,0.49,27,911,484.417,4.202,5,0.333,0.66,0.985,0.5147436776094853,0.6036169556575971,0.8502330203550134,0.6867161263792749,0.6638274450003427
EOS-3-50974,CCn1ccc(-c2cc(F)ccc2-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1=O,PFWATSMXKMLLCU-UHFFFAOYSA-N,3,1,0.316,30,668,477.503,4.632,6,0.362,0.61,1.0,0.07336714412994312,0.24892913439791653,0.6915050373517923,0.6978702624905764,0.4279178945925571
EOS-3-50975,Fc1cnccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cnc1Cl,IROZULWOTWZDEW-UHFFFAOYSA-N,3,1,0.464,87,132,483.294,4.106,5,0.333,0.65,1.0,0.8492478240010966,0.9061921732574875,0.6502895620588034,0.7411846343636488,0.7867285484202591
EOS-3-50976,Cc1nc(-c2cncc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)no1,AAKPDJQFFYANSR-UHFFFAOYSA-N,3,1,0.375,2,131,406.793,3.385,5,0.442,0.74,1.0,0.517305188129669,0.5094835857720512,0.1992238366116099,0.22260297443629634,0.3621538962374066
EOS-3-50977,Fc1cc(Cl)cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)c1,SOTJFJLTVXKXRW-UHFFFAOYSA-N,3,1,0.398,13,971,471.254,5.626,5,0.338,0.7,1.0,0.7137190734014118,0.7809608662874374,0.9590072647522445,0.9767322321979303,0.857604859159756
EOS-3-50978,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cc(F)cc5Cl)n34)nc2)nc1,KDBMFRRJWLAIHP-UHFFFAOYSA-N,3,1,0.477,73,665,483.841,4.336,5,0.355,0.61,1.0,0.8943098485367692,0.9181173326022891,0.8356007127681447,0.8601535192927147,0.8770453532999795
EOS-3-50979,COc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccn2)s1,YQUHIXZHGJKYGV-UHFFFAOYSA-N,3,1,0.505,75,265,484.904,3.522,5,0.342,0.63,0.768,0.6237235282023165,0.6133746830237817,0.25959495579466796,0.2789305051058872,0.44390591803166335
EOS-3-50980,Cc1noc(-c2nccn2Cc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)n1,MXUKRSFTWBWKHZ-UHFFFAOYSA-N,3,1,0.358,85,260,408.372,3.332,5,0.44,0.66,1.0,0.2801812761291207,0.2692670139126859,0.3515266260023302,0.37322664656294974,0.31855039065177165
EOS-3-50981,Fc1cc(F)nc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)cc5F)c4)n23)c1,WEDKLCBQAVOYGO-UHFFFAOYSA-N,3,1,0.511,88,490,466.398,4.426,5,0.272,0.63,1.0,0.9380868343499418,0.9380097320265918,0.9209615516414228,0.9257247618394902,0.9306957199643617
EOS-3-50982,Cn1nnnc1-c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cn4)n23)nc1,JGLBOYUHNKJGMZ-UHFFFAOYSA-N,3,1,0.362,85,60,404.825,2.016,5,0.447,0.76,1.0,0.1906483448701254,0.22351106846686314,0.07161092454252621,0.14084881091083545,0.15665478719758757
EOS-3-50983,Cc1cc(-c2nnc3cncc(OCc4c(F)cc(Cl)cc4F)n23)cc(-c2cnc(C)nc2)n1,MYOMALLRPXAPDA-UHFFFAOYSA-N,3,1,0.483,59,577,479.878,4.771,5,0.358,0.58,1.0,0.7847560139812213,0.7809694332122541,0.8467205811801796,0.8102340483859913,0.8056700191899115
EOS-3-50984,Cc1nc(-c2cc(-c3nnc4cncc(Oc5ncccc5Cl)n34)cc(F)n2)n(C)c1Cl,MFXNNKQPYQBRBK-UHFFFAOYSA-N,3,1,0.372,73,706,471.283,4.528,5,0.356,0.56,0.996,0.5173137550544856,0.6319220752518676,0.41040710026728805,0.5050459187170173,0.5161722123226646
EOS-3-50985,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(OCc5cc(F)ccc5Cl)ncn4)n23)nc1,BDOTWIFNRJMXMS-UHFFFAOYSA-N,3,1,0.297,44,776,490.886,3.374,5,0.384,0.69,0.928,0.48974539099444864,0.45130559934206016,0.5675073675553424,0.5015677472414503,0.5025315262833253
EOS-3-50986,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)c(Cl)c5)n4)n23)cc1,VGEYQBMTSMMJPN-UHFFFAOYSA-N,3,1,0.313,8,973,489.33,4.141,6,0.367,0.73,1.0,0.05837502570077445,0.21813960660681242,0.4104156671921047,0.564526077719142,0.3128640943047084
EOS-3-50987,Cc1ccc(-c2nnc3cncc(-c4c(-c5ccc(F)cc5)nc(C)n4C(C)C)n23)cc1F,XATFBVVVDSLMQU-UHFFFAOYSA-N,3,1,0.35,96,124,444.489,5.798,5,0.352,0.74,0.999,0.25099376327873346,0.4017630731272702,0.7757093413748201,0.7332516619834144,0.5404294599410595
EOS-3-50988,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cn5)n34)c2)cn1,JFICGTUOFWNVEJ-UHFFFAOYSA-N,3,1,0.489,27,419,467.386,4.38,5,0.28,0.63,1.0,0.5983568638201631,0.7894335549311219,0.9809814269069974,0.9547837708176273,0.8308889041189775
EOS-3-50989,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5cncc(Cl)c5)c4)n23)c(F)c1,GTDPSEIFELPWIJ-UHFFFAOYSA-N,3,1,0.467,97,656,489.898,3.979,5,0.384,0.73,1.0,0.7410218627921321,0.6319306421766843,0.7592437118771845,0.7033616612980604,0.7088894695360153
EOS-3-50990,Clc1cc(-c2ccoc2)ccc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nn3)n12,GNRAEWNENZYMLX-UHFFFAOYSA-N,3,1,0.316,30,737,450.889,5.829,6,0.336,0.74,0.957,0.1906569117949421,0.24397745185388253,0.7889024055924885,0.8665701459803988,0.5225267288054279
EOS-3-50991,CC(O)(CO)c1ncc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncc5F)cn4)n23)cc1F,YYAQGMQDVXQYEI-UHFFFAOYSA-N,3,1,0.308,82,155,479.422,2.927,5,0.369,0.54,0.805,0.4823521348776643,0.6515660338564869,0.8967257213350696,0.8327650606538277,0.7158522376807621
EOS-3-50992,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnccc5Cl)n34)ccc2Cl)s1,INLCQDWLSGBXIU-UHFFFAOYSA-N,3,1,0.524,16,772,469.357,5.504,5,0.338,0.73,1.0,0.790255979713522,0.8428568980878623,0.7479953395928998,0.8015728873963403,0.7956702761976561
EOS-3-50993,Fc1cccc(-c2cccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)c1,AYMQTDKMHBLJRQ-UHFFFAOYSA-N,3,1,0.781,57,485,462.887,6.011,5,0.31,0.82,1.0,0.9658094030566787,0.9864642587896648,0.9764666575286135,0.9836543074497979,0.9780986567061887
EOS-3-50994,Fc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)c1Cl,LGVZREJTAUSRER-UHFFFAOYSA-N,3,1,0.287,42,171,480.894,5.165,6,0.343,0.68,1.0,0.34414193681036254,0.4733568638201631,0.8761308340758002,0.8965458159139196,0.6475438626550614
EOS-3-50995,Fc1ccc(Cc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)cc1Cl,LVFGCGYKDOXHFV-UHFFFAOYSA-N,3,1,0.404,45,358,456.333,5.952,5,0.335,0.77,1.0,0.4344801590021246,0.6085258035775478,0.9551435816599273,0.9759269412651634,0.7435191213761908
EOS-3-50996,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cc1Cl,NLWZANOLLFDINK-UHFFFAOYSA-N,3,1,0.63,88,876,483.334,5.259,5,0.33,0.77,1.0,0.9102614625454047,0.9142536495099719,0.8894781029401686,0.9119491467342883,0.9064855904324584
EOS-3-50997,COc1ncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cnc(C)s1,ZLGNYDNFVQUDQJ-UHFFFAOYSA-N,3,1,0.505,87,657,479.953,4.297,5,0.318,0.65,1.0,0.5586320334452745,0.5989308477828799,0.34006408059762866,0.26720238503186894,0.44120733671441303
EOS-3-50998,O=[N+]([O-])c1cc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)ccc1OC(F)F,UVGUNCGPSMZVMV-UHFFFAOYSA-N,3,1,0.379,96,856,480.366,3.959,5,0.261,0.74,1.0,0.522745185388253,0.5187529984236858,0.6994637105064766,0.5215886505380029,0.5656376362141046
EOS-3-50999,CCCn1c(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)nc2c(CC)cc(F)cc21,FABQCVAAMQVTJP-UHFFFAOYSA-N,3,1,0.298,61,882,481.539,4.715,6,0.342,0.71,1.0,0.24825234733739976,0.2386402576930985,0.11842060174079912,0.1506579398259201,0.18899278664930438
EOS-3-51000,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)c1,FPWMJHBFOGSGHO-UHFFFAOYSA-N,3,1,0.523,59,577,452.371,4.384,5,0.224,0.73,1.0,0.8906260708656021,0.9062007401823041,0.9673171818244123,0.9604208073469948,0.9311412000548283
EOS-3-51001,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)nc(Cl)n1,PHUVPJQLORTRGG-UHFFFAOYSA-N,3,1,0.533,31,864,481.347,4.393,5,0.318,0.64,0.998,0.46020663422657804,0.42477383318483997,0.39269926667123567,0.4766893975738469,0.43859228291412516
EOS-3-51002,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(Cl)n1,HTVYOVOFLJNTDW-UHFFFAOYSA-N,3,1,0.44,58,954,481.347,4.393,5,0.318,0.64,0.997,0.5281252141731204,0.5140668905489686,0.35153519292714686,0.4204903707765061,0.4535544171064355
EOS-3-51003,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ncc1-c1cnc(C)s1,IBNGENIPTHXFNT-UHFFFAOYSA-N,3,1,0.383,13,110,467.917,5.16,5,0.352,0.68,1.0,0.462476869302995,0.4961191830580495,0.32190219998629294,0.3951494071688027,0.418911914879035
EOS-3-51004,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)c5)n34)cs2)c1,MFPRHXXFEPUYBK-UHFFFAOYSA-N,3,1,0.662,91,732,450.926,5.934,5,0.321,0.81,1.0,0.75007710232335,0.8291155506819272,0.9086337468302378,0.9369817010485916,0.8562020252210266
EOS-3-51005,Fc1ccc(F)c(-c2nnc3cncc(-c4cnc(OCc5ccc(F)c(F)c5F)nn4)n23)c1,AWFSCBGTSNUYJW-UHFFFAOYSA-N,3,1,0.344,45,730,471.349,3.918,5,0.284,0.62,1.0,0.5701288465492427,0.6854996230553081,0.9433383592625592,0.9475275854979097,0.7866236035912549
EOS-3-51006,Cc1cc(C(=O)OCc2cnn(C)c2)ccc1-c1nnc2cncc(-c3ccc(Cl)nc3F)n12,KYEIHGILTINRBU-UHFFFAOYSA-N,3,1,0.29,74,336,477.887,4.045,5,0.278,0.68,1.0,0.2966554725515729,0.3343499417449112,0.6292406277842506,0.5284079226920705,0.4471634911932013
EOS-3-51007,Cc1ccnc(-c2cnnc(-c3nnc4cncc(OCCc5nc(Cl)cnc5Cl)n34)c2)n1,BRVKUOFMEPBMPP-UHFFFAOYSA-N,3,1,0.362,31,65,481.307,3.065,5,0.357,0.51,0.964,0.5898841751764786,0.6036255225824139,0.08255088753341101,0.15066650675073676,0.3566817730107601
EOS-3-51008,Fc1cnc(F)c(-c2cncc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2)c1,WZOZILMQIULGBN-UHFFFAOYSA-N,3,1,0.457,2,69,467.386,4.438,5,0.269,0.65,1.0,0.927917894592557,0.8921338496333356,0.9492752381605098,0.9172863408950723,0.9216533308203688
EOS-3-51009,Cc1cccnc1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc(Cl)n1,JYCCDDVFZAJKIW-UHFFFAOYSA-N,3,1,0.489,35,429,478.343,4.88,5,0.321,0.65,0.999,0.8832071139743678,0.8174816667808923,0.5996333356178466,0.651797340826537,0.7380298642999109
EOS-3-51010,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)cnn2)cn1,FLFBRUVVDDLZKN-UHFFFAOYSA-N,3,1,0.494,92,875,413.426,2.55,5,0.427,0.53,1.0,0.4579106983757111,0.46461860050716197,0.31464601466657527,0.284893084778288,0.3805170995819341
EOS-3-51011,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)c(F)n3)n12,HEHVSQDNIPCGRR-UHFFFAOYSA-N,3,1,0.396,13,145,471.254,5.626,5,0.317,0.75,1.0,0.7932030018504558,0.8647196902199986,0.9562487149612775,0.9709923925707628,0.8962909499006236
EOS-3-51012,C#Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnn5C)cn4)n23)cn1,LGOPPDDQNKDXJJ-UHFFFAOYSA-N,3,1,0.506,92,205,408.425,2.542,5,0.412,0.64,1.0,0.36720409841683227,0.31031971763415805,0.4139623740662052,0.2966469056267562,0.34703327393598793
EOS-3-51013,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)ccc1Cl,DVIUKXLMRTWIAE-UHFFFAOYSA-N,3,1,0.5,59,137,463.875,5.672,5,0.336,0.71,1.0,0.8756339524364334,0.8921424165581523,0.9751987526557467,0.977563223905147,0.9301345863888699
EOS-3-51014,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccsc5)n34)ccc2F)o1,BMCDMVIKDARATL-UHFFFAOYSA-N,3,1,0.531,4,483,408.418,3.929,5,0.435,0.74,1.0,0.6321105475978342,0.5233363032006031,0.45801350147351105,0.42682989514084024,0.5100725618531972
EOS-3-51015,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3nc(Cl)cnc3F)n12,QKUYQJNXHBATSP-UHFFFAOYSA-N,3,1,0.454,58,710,478.875,3.461,5,0.347,0.53,0.958,0.7761976560893702,0.6755191556438901,0.2026591734630937,0.20815057227057776,0.465631639366733
EOS-3-51016,Fc1ccc(C(F)(F)c2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)c(F)c1F,WFJCEARFJQGUBS-UHFFFAOYSA-N,3,1,0.34,73,575,455.35,4.201,5,0.299,0.52,1.0,0.35327427866493044,0.44249880063052566,0.992058460694949,0.9836628743746145,0.6928736035912548
EOS-3-51017,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5-c5cccc(F)c5)n34)c(F)c2)n1,DJZMDBPXCCNPGK-UHFFFAOYSA-N,3,1,0.375,83,192,484.445,4.733,6,0.36,0.65,1.0,0.28827702008087175,0.5006853539853334,0.8435079843739292,0.8908402439860188,0.6308276506065382
EOS-3-51018,Cc1ccsc1COc1cncc2nnc(-c3cc(-c4cc(CO)n[nH]4)ncn3)n12,ZQTHZLICZSUXMO-UHFFFAOYSA-N,3,1,0.378,31,395,420.458,2.413,5,0.429,0.51,0.308,0.3347354533616613,0.3492649578507299,0.15074360907408677,0.10278596395038037,0.23438249605921457
EOS-3-51019,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(C#N)c4)n23)cn1,WWRLOBKZXCJKAU-UHFFFAOYSA-N,3,1,0.483,90,555,404.365,1.531,4,0.496,0.75,1.0,0.6438472345966691,0.4820094578849976,0.3891182920978685,0.25197895963265027,0.4417384860530464
EOS-3-51020,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cc5)n34)cn2)c1,FQLWGMDXOFDIDQ-UHFFFAOYSA-N,3,1,0.315,32,479,421.485,5.842,6,0.358,0.81,1.0,0.12990884791995067,0.17275203892810637,0.7121770269344116,0.7332602289082311,0.43702453567267496
EOS-3-51021,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccc5F)cc4F)n23)cc1,LJQJNAQCEOEJEE-UHFFFAOYSA-N,3,1,0.378,83,533,416.406,5.851,5,0.371,0.83,1.0,0.4650383798231787,0.8018812966897403,0.9877064628880817,0.9913217051607155,0.811486961140429
EOS-3-51022,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(C#Cc5ccccc5)n4)n23)cn1,WDQLKYPOEZSXTR-UHFFFAOYSA-N,3,1,0.454,28,363,484.523,3.961,6,0.342,0.64,1.0,0.4302737989171407,0.3296038653964773,0.49577650606538276,0.4172092385717223,0.41821585223768076
EOS-3-51023,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(C#N)nn5)n4)n23)nc1,DKQHUMOKCRNROH-UHFFFAOYSA-N,3,1,0.385,6,843,488.475,2.284,6,0.338,0.66,0.965,0.3922966212048523,0.2900075388938387,0.09947913097114659,0.08513809882804468,0.21673034747447056
EOS-3-51024,OCc1noc(-c2cccc(-c3nnc4cncc(OCc5cccs5)n34)c2)n1,VFWVCCLJGQAYBH-UHFFFAOYSA-N,3,1,0.578,4,506,406.427,2.974,5,0.458,0.77,1.0,0.37650777876773356,0.35888561441984784,0.17611027345624014,0.15579809471592077,0.26682544033993555
EOS-3-51025,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5c(Cl)ncc(F)c5F)n34)c2)cn1,GLUSXTQEAHIMEE-UHFFFAOYSA-N,3,1,0.5,35,426,479.878,4.505,5,0.331,0.6,1.0,0.8556730176135974,0.8813395243643342,0.7641182920978685,0.7591580426290179,0.8150722191762044
EOS-3-51026,Fc1ccccc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5)s4)n23)cn1,RMKDJHHLUUDLGO-UHFFFAOYSA-N,3,1,0.36,30,93,450.502,5.783,6,0.34,0.71,1.0,0.1960883421287095,0.32961243232129395,0.7045524638475773,0.7881142485093551,0.5045918717017339
EOS-3-51027,Fc1ncc(-c2cc(-c3cncc4nnc(-c5nccnc5-c5cccc(Cl)c5)n34)ccn2)cn1,ZOBKETUNJVQRMG-UHFFFAOYSA-N,3,1,0.314,64,449,481.882,4.56,6,0.337,0.66,0.989,0.27718285244328694,0.3393187581385786,0.5897899390034953,0.680753546706874,0.4717612740730587
EOS-3-51028,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c(OC)n1,YWRGYRWQXLHYOK-UHFFFAOYSA-N,3,1,0.404,26,456,480.891,3.845,5,0.323,0.62,0.811,0.5839558632033446,0.5140754574737852,0.4546038653964773,0.37323521348776645,0.4814675998903434
EOS-3-51030,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnc(Cl)c(F)c5)n4)n23)cn1,PIEAWXCKOFKBHC-UHFFFAOYSA-N,3,1,0.369,14,81,466.307,4.988,5,0.347,0.57,1.0,0.38334418477143445,0.527851072578987,0.793014529504489,0.844493180727846,0.6371757418956892
EOS-3-51031,Fc1cc(-c2ccsc2)cnc1Oc1cncc2nnc(-c3ccc(C(F)F)cc3)n12,ZWWVUOXKAMEBSE-UHFFFAOYSA-N,3,1,0.458,97,412,439.422,5.784,5,0.347,0.74,1.0,0.892305188129669,0.8527259954766637,0.9630936878897951,0.9475361524227264,0.9139152559797136
EOS-3-51032,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)on1,UFUBQAXUCAOABN-UHFFFAOYSA-N,3,1,0.293,70,392,408.385,2.688,6,0.467,0.61,1.0,0.12686758961003358,0.13067987115345076,0.19923240353642657,0.20528921938181072,0.1655172709204304
EOS-3-51033,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cc1-c1cncnn1,MOVLPQHRFAYINI-UHFFFAOYSA-N,3,1,0.489,27,51,468.374,3.833,5,0.274,0.6,1.0,0.8943184154615859,0.8588770474950311,0.9086423137550544,0.869945514358166,0.8829458227674594
EOS-3-51034,Cn1ccnc1-c1cc(Cl)cc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)c1,RFXNZCWQEGTAKL-UHFFFAOYSA-N,3,1,0.5,37,141,484.322,4.654,5,0.349,0.66,1.0,0.7379120690836817,0.6708758823932561,0.7712202727708861,0.8126927558083751,0.7481752450140498
EOS-3-51035,Fc1ccc(Cl)c(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)c1F,FCYNAFDETQLSIK-UHFFFAOYSA-N,3,1,0.448,45,533,454.267,6.105,5,0.309,0.86,1.0,0.45791926530052773,0.8213367829483929,0.9858902748269481,0.995022616681516,0.8150422349393462
EOS-3-51036,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cc(F)ccc5F)cc4F)n23)c(F)n1,RYDGJFUMPYTBFQ-UHFFFAOYSA-N,3,1,0.438,57,236,451.383,5.51,5,0.266,0.81,1.0,0.8692258926735659,0.9037420327599205,0.9754643273250634,0.9743163593996299,0.9306871530395449
EOS-3-51037,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5c[nH]cn5)c(F)c4)n23)c(F)c1,LZVZXQAZEPLZKW-UHFFFAOYSA-N,3,1,0.5,13,145,408.343,4.391,5,0.477,0.68,1.0,0.8715303954492495,0.8325851552326777,0.9510999931464601,0.9516225755602769,0.901709529847166
EOS-3-51039,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6ccccc6)n5)n34)cc2)nc1,QWLPWMFXDHISFB-UHFFFAOYSA-N,3,1,0.529,12,285,481.516,5.09,6,0.327,0.77,1.0,0.6864848194092249,0.6952059488725927,0.48225789870468094,0.47385374545952985,0.5844506031115071
EOS-3-51040,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)nc1Cl,WNUKZJIHGONQRM-UHFFFAOYSA-N,3,1,0.432,73,379,483.294,4.372,5,0.34,0.66,1.0,0.7472243163593997,0.7638270166541018,0.5238246179151532,0.592865465012679,0.6569353539853333
EOS-3-51041,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccc5F)s4)n23)cn1,JWHPGLWTVLLFEZ-UHFFFAOYSA-N,3,1,0.427,80,34,485.508,3.823,6,0.35,0.65,0.996,0.5898927421012953,0.6036340895072305,0.17930573641285724,0.17713830443424028,0.38749271811390584
EOS-3-51042,Oc1ccc(F)c(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)c1,PLLHMBSAVVQDHS-UHFFFAOYSA-N,3,1,0.476,68,127,406.299,3.024,4,0.52,0.64,1.0,0.8121359056952916,0.8618412034815982,0.9551521485847441,0.8869337262696183,0.8790157460078131
EOS-3-51043,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)nc2F)no1,FRZHFTAAWDDUMB-UHFFFAOYSA-N,3,1,0.351,51,379,457.788,2.845,5,0.287,0.59,1.0,0.5782245905009937,0.564911589335892,0.18573949695017478,0.23436536220958123,0.39081025974916045
EOS-3-51044,CCCn1cnc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)cn2)c1,SGNKZDKOUZFWJU-UHFFFAOYSA-N,3,1,0.436,13,374,466.332,5.559,5,0.326,0.75,0.997,0.482360701802481,0.5605338907545747,0.617752381605099,0.6807621136316908,0.5853522719484614
EOS-3-51045,CC#Cc1cc(-c2nnc(C)s2)cc(-c2nnc3cncc(Cc4cc5ccccc5nn4)n23)c1,YPAWMMFUUXNIDB-UHFFFAOYSA-N,3,1,0.268,14,740,474.553,4.524,6,0.347,0.6,0.999,0.13531457747926803,0.16060413953807143,0.3071328216023576,0.32165375916660954,0.23117632444657665
EOS-3-51046,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(Oc5ccccc5)sn4)n23)cc1,JGZZTHUMGXKZJB-UHFFFAOYSA-N,3,1,0.511,77,960,482.529,4.415,6,0.329,0.69,1.0,0.3394129943115619,0.25382084846823383,0.24893770132273318,0.20815913919539442,0.26258267082448083
EOS-3-51047,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccc5)n34)cc2)nc1,DUCJOYODOUUBAJ-UHFFFAOYSA-N,3,1,0.353,69,695,446.539,5.952,6,0.335,0.75,1.0,0.06738743060790899,0.1491415941333699,0.580203550133644,0.6079089849907477,0.35116038996641763
EOS-3-51048,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4)n23)cc1,LUKYBYMGIPKHIV-UHFFFAOYSA-N,3,1,0.394,21,538,450.889,5.829,6,0.336,0.72,1.0,0.3122387087930916,0.49612774998286613,0.865096634911932,0.9003580974573367,0.6434552977863066
EOS-3-51049,CCc1nc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)ccc1-c1cnc(COC)c(F)c1,CXJQESYEWZFRBH-UHFFFAOYSA-N,3,1,0.373,7,690,486.511,3.774,5,0.323,0.71,0.999,0.5073504214927009,0.4112123912000548,0.26680830649030224,0.1690425604824892,0.3386034199163868
EOS-3-51050,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c(C#Cc2cncnc2)c1,RTIKHTNLOSMQGE-UHFFFAOYSA-N,3,1,0.535,16,214,474.311,4.262,5,0.284,0.63,1.0,0.8199318072784594,0.9037505996847371,0.8942070454389692,0.8978308546364198,0.8789300767596464
EOS-3-51051,Cc1nc(-c2cncc(F)c2)ccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)nn3)n12,KERCYSYPFPWVMA-UHFFFAOYSA-N,3,1,0.467,27,52,482.401,4.084,5,0.345,0.61,0.999,0.7292680419436639,0.785304297169488,0.8773045027756836,0.7643838667671853,0.7890651771640053
EOS-3-51053,Cc1c(F)cncc1-c1cncc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)c1,VJFWEARJYBDKNP-UHFFFAOYSA-N,3,1,0.432,2,419,480.866,3.9,5,0.337,0.59,1.0,0.7902645466383387,0.8059848536769242,0.6026831608525803,0.6315451305599342,0.7076194229319444
EOS-3-51054,COc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(CF)c5)n34)cs2)nn1,XNALTTJQNBGTQY-UHFFFAOYSA-N,3,1,0.473,4,268,483.916,4.415,5,0.335,0.7,0.988,0.6955914604893427,0.8059934206017408,0.4139709409910219,0.3921938181070523,0.5769374100472894
EOS-3-51055,O=[N+]([O-])c1cc(F)ccc1-n1cc(-c2cncc3nnc(-c4cnc(-c5ccncc5)cn4)n23)nn1,TYDPBJIAYZWJQZ-UHFFFAOYSA-N,3,1,0.273,10,872,481.411,2.938,6,0.265,0.67,1.0,0.06193029949969159,0.0679699814954424,0.19577993283530945,0.15309094647385374,0.11969279007607429
EOS-3-51056,COc1ncc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc1-c1cnc(C)s1,PHBJLHCMSLJAJJ-UHFFFAOYSA-N,3,1,0.605,59,294,482.928,4.998,5,0.336,0.78,1.0,0.6864933863340416,0.7638355835789186,0.7121855938592283,0.637430607908985,0.6999862929202934
EOS-3-51057,COc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4C)n23)cn1,CAQLHFFTBWYZDH-UHFFFAOYSA-N,3,1,0.337,63,437,401.43,2.458,5,0.547,0.87,0.999,0.22648379137824687,0.0787214721403605,0.07161949146734288,0.057689671715441024,0.10862860667534782
EOS-3-51058,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5cccnc5F)c4)n23)c(F)c1F,KXRXQSBVDUQASW-UHFFFAOYSA-N,3,1,0.483,59,884,452.371,4.384,5,0.224,0.77,1.0,0.87564251936125,0.8787951476937839,0.972714344458913,0.9660407100267288,0.923298180385169
EOS-3-51059,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1nccs1,CAQNFCLOKJMUMD-UHFFFAOYSA-N,3,1,0.426,49,501,483.916,4.127,5,0.34,0.62,0.974,0.6806250428346241,0.6224813241038997,0.3927078335960524,0.3763364402714002,0.518037660201494
EOS-3-51060,Cc1cc(C(F)F)cnc1-c1nnc2cncc(-c3ccc(-c4cc(F)cnc4Cl)nc3)n12,MHXUHXBSTOKIKX-UHFFFAOYSA-N,3,1,0.279,50,315,467.842,5.349,5,0.331,0.64,0.865,0.3418460009594956,0.5052515249126174,0.9272325406072236,0.9288602563223906,0.6757975807004318
EOS-3-51061,Cc1cnc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)c(F)n3)n12,RVUBFAOGHPYPPM-UHFFFAOYSA-N,3,1,0.396,65,324,463.864,3.156,5,0.276,0.56,1.0,0.704561030772394,0.7053748886299774,0.20631725035981086,0.23437392913439792,0.4626567747241451
EOS-3-51062,CCOc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC)nc3)n12,YJXOMWRUYBNHLH-UHFFFAOYSA-N,3,1,0.327,63,66,404.434,2.143,5,0.524,0.77,1.0,0.07135391679802618,0.08567781509149476,0.006673634432184223,0.0037780138441505036,0.04187084504146391
EOS-3-51063,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)cnc1C(F)F,OJUCPTUGDVFVSZ-UHFFFAOYSA-N,3,1,0.453,7,43,480.866,4.517,5,0.349,0.61,1.0,0.6528339387293537,0.7237252415872798,0.7455880337194161,0.6603385648687548,0.695621444726201
EOS-3-51064,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5cnccn5)n4)n23)cc1F,LNTMBWHEVUWOOJ-UHFFFAOYSA-N,3,1,0.512,73,975,407.344,2.019,5,0.435,0.66,1.0,0.3765163456925502,0.46896203138921255,0.35154375985196357,0.39220238503186894,0.39730613049139885
EOS-3-51065,CCc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4cnns4)cc3F)n12,OMXRPOYNAUPTFH-UHFFFAOYSA-N,3,1,0.488,43,623,466.929,5.244,5,0.34,0.65,1.0,0.589901309026112,0.7683417860324858,0.805676444383524,0.8169076828181756,0.7452068055650745
EOS-3-51066,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c(F)c2)ccn1,IDTASVCEKXAQLU-UHFFFAOYSA-N,3,1,0.444,73,379,469.814,4.293,5,0.28,0.66,1.0,0.8603162908642313,0.9303851689397574,0.8786752107463505,0.8978394215612364,0.891804023027894
EOS-3-51067,c1cnc(Oc2ccc(CCOc3cncc4nnc(-c5coc(-c6cccnc6)c5)n34)nc2)nc1,PNBQPWZLMHEGQA-UHFFFAOYSA-N,3,1,0.521,6,414,478.472,4.045,6,0.316,0.6,1.0,0.407340141182921,0.21316222328832843,0.33656877527242823,0.24029367418271538,0.29934120348159826
EOS-3-51068,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cncc(C)n1,YUBSGICYPXBGKH-UHFFFAOYSA-N,3,1,0.4,7,690,463.954,4.808,5,0.357,0.54,0.842,0.45117709546981016,0.5369919813583716,0.24184428757453225,0.24599067918579948,0.36900101089712833
EOS-3-51069,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)s1,OMYISJFAMDYCFL-UHFFFAOYSA-N,3,1,0.352,62,366,471.973,5.732,6,0.355,0.73,1.0,0.2828627235967377,0.3444160784044959,0.45461243232129395,0.6572544719347543,0.4347864265643204
EOS-3-51070,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cnc(-c6cnco6)nc5)c4)n23)cc1,KYQVAHUVNFJIID-UHFFFAOYSA-N,3,1,0.356,42,106,492.474,4.069,6,0.382,0.81,1.0,0.35562161606469744,0.2692755808375026,0.5772993626207936,0.4827633472688644,0.4212399766979645
EOS-3-51071,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)no4)n23)cc1,HVUJIKVTASCQMH-UHFFFAOYSA-N,3,1,0.615,72,389,405.805,3.469,5,0.437,0.78,1.0,0.8670241929956822,0.8731238434651497,0.4363134809128915,0.5081557124254678,0.6711543074497979
EOS-3-51072,Cc1ncc(-c2nc3c(-c4cncc5nnc(-c6ccc(-c7ncnn7C)cc6)n45)ccnc3o2)cn1,HJJCDWGCUBAZAO-UHFFFAOYSA-N,3,1,0.289,42,725,487.487,3.555,7,0.362,0.64,1.0,0.12991741484476732,0.12397196902199986,0.12140189157699952,0.10929682681104791,0.12114702556370366
EOS-3-51073,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c2)cc1F,TUPZINUIXOQVGU-UHFFFAOYSA-N,3,1,0.516,88,141,478.89,5.11,5,0.337,0.66,1.0,0.8906346377904187,0.8990901925844699,0.8849633335617847,0.886942293194435,0.890407614282777
EOS-3-51074,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(C5(F)COC5)c4)n23)cn1,FDOWFIGIXSLJIZ-UHFFFAOYSA-N,3,1,0.349,63,688,405.393,1.803,5,0.552,0.64,1.0,0.25589404427386747,0.33932732506339525,0.4858131725035981,0.36979130971146595,0.3627064628880817
EOS-3-51075,Cc1cc(-c2nnc3cncc(OCc4ncn(-c5cnco5)n4)n23)ccc1Cl,JETMPDIPWBJAHZ-UHFFFAOYSA-N,3,1,0.483,36,975,408.809,2.901,5,0.436,0.68,1.0,0.3647796586937153,0.4689705983140292,0.2596035227194846,0.2998166678089233,0.3482926118840381
EOS-3-51076,COc1cc(-c2cccc(C)n2)ccc1-c1nnc2cncc(OCC3COc4cccnc4O3)n12,UFBGUPIMVGMPDM-UHFFFAOYSA-N,3,1,0.44,11,61,482.5,3.784,6,0.357,0.58,1.0,0.479936262079364,0.3393358919882119,0.5099119320128846,0.33437564251936125,0.4158899321499555
EOS-3-51077,CCc1c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cnn1CC,KYGGUQCPXAYUFT-UHFFFAOYSA-N,3,1,0.35,63,792,401.474,3.129,5,0.536,0.91,1.0,0.06015694606264135,0.018153313686519085,0.018710163799602494,0.024921184291686656,0.030485401960112398
EOS-3-51078,CCc1nc(-c2nnc3cncc(OCCc4ccnc(C)c4)n23)ccc1-c1nc(=N)nc(C)[nH]1,GXSRYHOGSSOKJN-UHFFFAOYSA-N,3,1,0.402,31,690,468.525,2.647,5,0.371,0.58,0.205,0.3945068878075526,0.19428072099239257,0.04817181824412309,0.019292714687135906,0.16406303543280104
EOS-3-51079,Cc1cc(-c2cnc(C)n2C)ccc1-c1nnc2cncc(-c3ccc(-c4ccccn4)s3)n12,ZNAPNPHOPGACRY-UHFFFAOYSA-N,3,1,0.293,76,126,463.57,5.599,6,0.34,0.68,1.0,0.12687615653485024,0.10440511274073058,0.43262970324172434,0.37634500719621683,0.2600639949283805
EOS-3-51080,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cnnc(F)c6)ncn5)n34)cc2F)c1,HYFHLUOCGQHMDD-UHFFFAOYSA-N,3,1,0.381,3,192,482.429,4.79,6,0.357,0.61,1.0,0.3466092111575629,0.5233448701254197,0.9001182235624701,0.9162754437667056,0.6715869371530396
EOS-3-51082,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4nccn4C)n23)c(F)cn1,BXVUCWFTHMVOLB-UHFFFAOYSA-N,3,1,0.389,92,105,406.385,1.433,5,0.431,0.68,1.0,0.40734870810773766,0.29521622918237267,0.06517716400520869,0.06366081831265849,0.20785072990199438
EOS-3-51084,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccnc(F)c5)ccn4)n23)c1F,PEUVILARCYZCBH-UHFFFAOYSA-N,3,1,0.441,18,840,479.878,4.505,5,0.331,0.62,1.0,0.7678277705434857,0.7510023302035501,0.7780909464738538,0.7881228154341717,0.7712609656637653
EOS-3-51085,Cn1c(CF)nc(-c2ccnc(F)n2)c1-c1cncc2nnc(-c3ccc(C(F)F)cc3)n12,PWBBJFFJWMZBEE-UHFFFAOYSA-N,3,1,0.326,50,315,454.391,4.195,5,0.292,0.61,0.654,0.33942156123637857,0.39203961346035227,0.6416112672195189,0.6718953464464396,0.5112419470906723
EOS-3-51086,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nn4)n23)c(F)c1,WUQYVASZMXBSBE-UHFFFAOYSA-N,3,1,0.457,71,247,480.467,3.157,6,0.354,0.5,1.0,0.497164347885683,0.49123603591254883,0.3036203824275238,0.2727023507641697,0.39118077924748135
EOS-3-51087,COCc1cccc(-c2cncc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)n1,MXQVSLCJSIZJFF-UHFFFAOYSA-N,3,1,0.41,2,422,477.887,4.161,5,0.322,0.56,1.0,0.6182149955451991,0.6036426564320472,0.7406277842505654,0.6838290727160579,0.6615786272359674
EOS-3-51088,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5c(F)c(F)nc(F)c5F)cnn4)n23)cc1,QFHDRIQTLFOTEG-UHFFFAOYSA-N,3,1,0.494,59,534,467.386,4.087,5,0.284,0.6,1.0,0.832627989856761,0.8788037146186005,0.8967342882598862,0.8618412034815982,0.8675017990542115
EOS-3-51089,N#Cc1cncc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)c(F)c2)n1,RZZWHOPIUIWRNL-UHFFFAOYSA-N,3,1,0.39,41,120,487.458,4.508,6,0.345,0.75,1.0,0.7732335001028031,0.8213453498732095,0.6806421766842574,0.6343979165238846,0.7274047357960386
EOS-3-51090,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)cc4Cl)n23)c1,ZPFOVARFAJIFIJ-UHFFFAOYSA-N,3,1,0.516,26,626,480.359,4.824,5,0.324,0.68,1.0,0.6895432115687753,0.6708844493180728,0.7146271674319786,0.7305102460420807,0.7013912685902268
EOS-3-51091,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5csnn5)ccc4F)n23)cn1,VPBAMAMWNAJAFP-UHFFFAOYSA-N,3,1,0.432,6,247,485.508,3.823,6,0.35,0.65,1.0,0.4534558974710438,0.4779830032211637,0.432638270166541,0.3982677678020698,0.4405862346652046
EOS-3-51092,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nnc[nH]6)cc5)n34)n2)cc1,NCNAPNQNSXBBHO-UHFFFAOYSA-N,3,1,0.304,3,289,406.413,2.824,6,0.478,0.63,0.993,0.026763073127270234,0.0220084298540196,0.1957884997601261,0.2432920978685491,0.12196302515249126
EOS-3-51093,OCc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)cn5)n34)s2)cc1,XZFPOWVZTHZNFL-UHFFFAOYSA-N,3,1,0.312,32,20,467.579,5.803,6,0.347,0.78,1.0,0.1212476869302995,0.16850284421903913,0.7379977383318485,0.7411932012884654,0.4422353676924131
EOS-3-51094,CCc1nc(-c2nnc3cncc(CCc4ccccc4Cl)n23)ccc1-c1cccc(C)n1,DZUFNMFQUZZYTQ-UHFFFAOYSA-N,3,1,0.343,14,886,454.965,5.558,5,0.336,0.68,0.613,0.27719141936810365,0.3588941813446645,0.43632204783770817,0.49503975053114935,0.3918618497704064
EOS-3-51095,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)cnc4F)n23)ccc1-c1cnc(C)nc1,SWRCFICZRFFHOI-UHFFFAOYSA-N,3,1,0.38,46,717,476.903,4.281,5,0.334,0.58,0.968,0.6154907134534987,0.6224898910287163,0.47192618737577957,0.4268384620656569,0.5341863134809128
EOS-3-51096,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cncc(F)c5)n34)c(F)c2)nc1,CUHUMEMWMVFOIW-UHFFFAOYSA-N,3,1,0.351,73,575,405.343,3.728,5,0.455,0.74,1.0,0.37170173394558287,0.5140840243986019,0.8518521691453635,0.8798403125214174,0.6543695600027415
EOS-3-51097,CN=c1cnc(-c2cncc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)n2)c[nH]1,JMYKWYHDKZLDKX-UHFFFAOYSA-N,3,1,0.374,7,128,446.862,2.129,5,0.434,0.43,0.755,0.4370416695223083,0.3873620725104516,0.17292337742443972,0.16125522582413818,0.28964558632033444
EOS-3-51098,COc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4C)n23)nc1,MTGHOUZYOKCZNA-UHFFFAOYSA-N,3,1,0.321,63,66,401.43,2.458,5,0.547,0.86,1.0,0.2615310808032349,0.09503289699129601,0.03220307038585429,0.028716331985470495,0.10437084504146393
EOS-3-51099,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC(C)(C)c5ccccc5)cc4)n23)nc1,XRROUWJGHDEDFA-UHFFFAOYSA-N,3,1,0.311,62,302,491.555,3.878,5,0.373,0.84,1.0,0.21260537317524503,0.10441367966554725,0.5509046672606401,0.2936913165650058,0.29040375916660954
EOS-3-51100,Cn1nc(C(F)(F)F)cc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cn4)n23)cc1,HZCZHNSYQZDGAY-UHFFFAOYSA-N,3,1,0.315,38,154,488.437,4.058,6,0.398,0.68,1.0,0.22919950654513055,0.3206514289630594,0.8304434240285107,0.689371873072442,0.5174165581522856
EOS-3-51101,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C#N)n5)n34)c(Cl)n2)s1,ZXLYVKMIYZKJAX-UHFFFAOYSA-N,3,1,0.447,4,702,479.888,3.651,5,0.347,0.6,0.837,0.5983654307449798,0.7554485641834007,0.2780823795490371,0.3278904804331437,0.4899467137276403
EOS-3-51102,Fc1c(Cl)cccc1-c1nccnc1-c1nnc2cncc(-c3ccnc(-c4cncnc4)c3)n12,ISWATBICRHARLJ-UHFFFAOYSA-N,3,1,0.273,64,449,481.882,4.56,6,0.36,0.59,0.993,0.30438283873620725,0.33934445891302856,0.6640994448632719,0.7412017682132822,0.5122571276814475
EOS-3-51103,FC(F)c1cc(-c2nnc3cncc(-c4ccnnc4-c4ccc(-c5cnco5)cc4)n23)co1,FKFISOWWWDWIMK-UHFFFAOYSA-N,3,1,0.31,42,339,457.4,5.101,6,0.352,0.56,0.999,0.28548420259063806,0.3154684394489754,0.8532742786649304,0.810242615310808,0.566117384003838
EOS-3-51104,Fc1cc(Cl)cc(-c2ncccc2-c2nnc3cncc(-c4ncnc(-c5cccnc5)n4)n23)c1,ZNYIURNJYAYGGN-UHFFFAOYSA-N,3,1,0.346,42,136,481.882,4.56,6,0.36,0.57,0.999,0.29391405661023917,0.42031046535535604,0.5238331848399699,0.640420464670002,0.4696195428688918
EOS-3-51105,CCOCc1ccc(-c2nnc3cncc(-c4oc(C)nc4-c4ccc(Cl)cc4)n23)cc1,VDIGZWQRVBYRIP-UHFFFAOYSA-N,3,1,0.391,62,3,445.91,5.612,5,0.338,0.68,0.997,0.42089301624288944,0.6515746007813036,0.6885837159893085,0.6893804399972586,0.6126079432526901
EOS-3-51106,CN=c1cc(-c2cnc(C)cn2)cc(-c2nnc3cncc(Cc4cnc(Cl)c(F)c4)n23)[nH]1,LTPNKTXWQXIVPM-UHFFFAOYSA-N,3,1,0.259,85,674,461.892,3.194,5,0.411,0.48,0.637,0.06363511753820848,0.07873003906517717,0.5338650538002878,0.4738623123843465,0.28752313069700497
EOS-3-51107,FC(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)ncn2)cn1,HWCMMOFFWNYTDC-UHFFFAOYSA-N,3,1,0.441,18,194,480.866,4.251,5,0.34,0.56,0.382,0.7819717634158042,0.7809780001370707,0.7849616201768214,0.7539750531149338,0.7754716092111575
EOS-3-51108,Cc1nnc(-c2ccc(F)c(-c3nnc4cncc(OCc5cncc(-c6cncs6)n5)n34)c2)o1,PFIQCEAMGAYKDP-UHFFFAOYSA-N,3,1,0.408,6,350,487.48,3.781,6,0.342,0.75,1.0,0.5227537523130698,0.6133832499485985,0.2346994722774313,0.21975875539716264,0.3976488074840656
EOS-3-51109,Cn1cc(-c2cc(F)c(-c3nnc4cncc(-c5ccccc5Cl)n34)cn2)cn1,WBFPSGJHCIEYPZ-UHFFFAOYSA-N,3,1,0.384,45,844,405.824,4.046,5,0.453,0.76,1.0,0.19066547871975875,0.33935302583784527,0.7757179082996367,0.8408008361318621,0.5366343122472758
EOS-3-51110,O=C(c1ccc(-c2cncc3nnc(-c4nccnc4-c4cnc(F)cn4)n23)cn1)N1CC(F)(F)C1,ARYYJJZVNQOQRO-UHFFFAOYSA-N,3,1,0.301,50,206,490.409,2.33,6,0.373,0.7,0.415,0.19067404564457544,0.31547700637379206,0.07586011925159344,0.16905112740730588,0.1877655746693167
EOS-3-51111,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnnc(Cl)c5)c(Cl)c4)n23)s1,MXOJGWFKYPLPPF-UHFFFAOYSA-N,3,1,0.529,4,554,473.32,5.335,5,0.343,0.69,1.0,0.7902731135631553,0.892150983482969,0.8894866698649853,0.9216897402508396,0.8734001267904873
EOS-3-51112,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)s5)nc4)n23)cc1F,RNYMDUAGPKZLEN-UHFFFAOYSA-N,3,1,0.318,74,802,491.939,4.662,6,0.384,0.85,1.0,0.24546809677198272,0.3154855732986087,0.3256116784319101,0.47081248714961277,0.33934445891302856
EOS-3-51113,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)nc4)n23)nn1,WFZONEFYUOJJHA-UHFFFAOYSA-N,3,1,0.337,6,318,482.895,3.885,6,0.337,0.6,0.971,0.4921955314920156,0.5510588719073402,0.30714138852717426,0.3124785826879583,0.4157185936536221
EOS-3-51114,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2F)s1,VAQQZINAZAOJGS-UHFFFAOYSA-N,3,1,0.432,31,237,473.946,4.489,5,0.335,0.59,0.997,0.6714070317318895,0.7190219998629293,0.18251833321910768,0.26409259132341856,0.4592599890343363
EOS-3-51115,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5nc(-c6cnccn6)ns5)n34)c2)nn1,BOVDQPJXAQIOOF-UHFFFAOYSA-N,3,1,0.423,6,355,484.48,3.275,6,0.347,0.59,1.0,0.4139709409910219,0.5140925913234186,0.12661914879035022,0.16126379274895483,0.3039866184634364
EOS-3-51116,Fc1cc(Oc2cncc3nnc(-c4cccc(-c5cncc(Cl)c5)c4)n23)ccc1Cl,LSNAVWRHUFOYNH-UHFFFAOYSA-N,3,1,0.608,13,236,452.276,6.092,5,0.33,0.79,1.0,0.917346309368789,0.8892467959701186,0.972328832842163,0.9844767322321979,0.9408496676033171
EOS-3-51117,Cn1cc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)Nc6cccc(F)c6)cc5)n34)c2)nn1,KBPQRJKPJSNJAX-UHFFFAOYSA-N,3,1,0.48,93,504,490.502,4.645,6,0.378,0.8,1.0,0.09107497772599547,0.1685114111438558,0.6445582893564527,0.5896871359056953,0.3734579535329998
EOS-3-51118,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4-n4cncn4)n23)c(F)c1,LDGCENURGLLGES-UHFFFAOYSA-N,3,1,0.454,34,79,486.446,3.025,6,0.353,0.62,1.0,0.3394301281611953,0.41582996367623876,0.5963350695634295,0.577187992598177,0.4821957884997601
EOS-3-51119,Cc1csc(-c2ncccc2-c2nnc3cncc(-c4scnc4-c4ccccc4)n23)n1,FOCASVJNZJEZTB-UHFFFAOYSA-N,3,1,0.308,30,371,453.556,5.409,6,0.355,0.6,0.986,0.043922623535055855,0.09806558837639641,0.1387327804811185,0.19913816736344322,0.1199647899390035
EOS-3-51120,Cn1cnc(-c2cncc(-c3nnc4cncc(Oc5cnc(Cl)nc5)n34)c2)n1,BNHDARIIHQKQIZ-UHFFFAOYSA-N,3,1,0.395,2,36,406.797,2.218,5,0.413,0.69,0.998,0.39872181481735314,0.47799157014598037,0.14751387841820301,0.14798505928311972,0.2930530806661641
EOS-3-51121,Cn1cc(-c2cncc3nnc(-c4nccnc4-c4ncccn4)n23)c(C(F)F)n1,PQYILFPRIUXTTJ-UHFFFAOYSA-N,3,1,0.26,50,206,406.36,2.376,5,0.447,0.68,0.967,0.04839455828935645,0.08883044342402852,0.14169693646768555,0.1408573778356521,0.10494482900418066
EOS-3-51122,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)cnc5Cl)n34)cn2)s1,BAAKSNWVEQCXOC-UHFFFAOYSA-N,3,1,0.413,13,735,456.318,5.112,5,0.347,0.61,1.0,0.6744311561921733,0.759569255020218,0.5542886025632239,0.6016294291001302,0.6474796107189363
EOS-3-51123,CCn1cncc1-c1cnc(Cl)c(-c2nnc3cncc(OCc4nnnn4C(C)(C)C)n23)c1,NAINDFKIZHVKTC-UHFFFAOYSA-N,3,1,0.35,92,905,479.936,3.044,5,0.337,0.57,0.994,0.17908299636762387,0.40636351175382085,0.02546090055513673,0.012130765540401618,0.15575954355424576
EOS-3-51124,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4cc(-c5ccncc5)ns4)n23)cc1,LBNNXLWMEZOTEP-UHFFFAOYSA-N,3,1,0.466,28,797,463.526,4.951,6,0.345,0.61,0.987,0.3532828455897471,0.30511959427044066,0.38912685902268523,0.41082687958330477,0.36458904461654446
EOS-3-51125,Cc1nocc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c(Cl)n1,NLLMVJIZWBQLSS-UHFFFAOYSA-N,3,1,0.5,35,143,468.304,4.473,5,0.336,0.56,1.0,0.6835206634226578,0.6562949763552876,0.4957850729901994,0.5582636556781577,0.5984660921115756
EOS-3-51126,Cc1ccc(-c2nnc3cncc(-c4cc(F)c(F)cc4OC(F)(F)F)n23)cn1,RJECHIPEPLVBBU-UHFFFAOYSA-N,3,1,0.397,68,861,407.302,4.339,4,0.473,0.68,0.999,0.7932115687752724,0.867495373860599,0.9958621753135495,0.9910903981906655,0.9119148790350217
EOS-3-51127,Clc1ccc(-c2cc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c(Cl)cn2)nn1,RWRXQBLUGSIADM-UHFFFAOYSA-N,3,1,0.438,55,434,486.71,3.973,5,0.34,0.66,0.975,0.6237320951271331,0.7510108971283668,0.5773079295456103,0.6867246933040916,0.6596939037763004
EOS-3-51128,Fc1cc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)cnn5)ccn4)n23)ccc1Cl,LIWNJLIYLLMOJG-UHFFFAOYSA-N,3,1,0.565,34,391,468.279,4.668,5,0.37,0.48,1.0,0.837631073949695,0.9492152696867933,0.8761394010006168,0.9084624083339045,0.8928620382427525
EOS-3-51129,COc1ccc(Cl)c(-c2nnc3cncc(Oc4ccc(-c5cc(F)ccc5C)cn4)n23)c1,QRIOROSFYGBYJV-UHFFFAOYSA-N,3,1,0.419,57,417,461.884,5.755,5,0.331,0.75,1.0,0.8580032211637311,0.8588856144198479,0.9306678774587074,0.9015060653827702,0.8872656946062641
EOS-3-51130,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5nnco5)cn4)n23)cc1-c1ccc(Cl)nn1,XEQRBKZNYRFSIL-UHFFFAOYSA-N,3,1,0.337,81,117,481.907,4.246,6,0.355,0.55,1.0,0.3197005003084093,0.3538396957028305,0.4104242341169214,0.42684702899047355,0.3777028647796587
EOS-3-51131,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4cncc(F)c4)n23)cc1F,MLVCDGHGKHTULW-UHFFFAOYSA-N,3,1,0.455,13,374,405.368,3.657,5,0.454,0.76,1.0,0.814680282365842,0.6515831677061202,0.8211311767527928,0.7927746556096223,0.7700423206085943
EOS-3-51132,Cn1cc(-c2cc(COc3cncc4nnc(-c5cccs5)n34)ncc2F)cn1,IJPWBKPJSCTEAN-UHFFFAOYSA-N,3,1,0.466,92,128,407.434,3.366,5,0.444,0.69,1.0,0.3068158453841409,0.22860838873278047,0.46489274210129533,0.4108354465081214,0.35278810568158453
EOS-3-51133,FC(F)(F)c1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)nn1,IHJJCORSBRFOQQ-UHFFFAOYSA-N,3,1,0.5,27,52,484.829,4.29,5,0.364,0.63,1.0,0.5535861147282571,0.7638441505037352,0.9280635323144404,0.8714190254266329,0.7792282057432663
EOS-3-51134,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cc2F)nc1,XHRABVJIOREJIC-UHFFFAOYSA-N,3,1,0.638,88,752,482.853,4.941,5,0.341,0.66,1.0,0.9846737715029813,0.9843396614351313,0.928072099239257,0.9395175107943252,0.9591507607429237
EOS-3-51135,Fc1cnc(-c2ccc(C(F)F)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,PXWWCVOMCPMGDP-UHFFFAOYSA-N,3,1,0.578,34,483,483.841,4.952,5,0.337,0.71,0.999,0.9706668494277294,0.9779830032211637,0.9280806661640737,0.9204903707765061,0.9493052223973683
EOS-3-51136,N#Cc1cc(Cl)c(-c2ccc(-c3nnc4cncc(-c5ccccc5Cl)n34)nc2)cc1F,QRHUQQPFYHAUDQ-UHFFFAOYSA-N,3,1,0.338,45,46,461.287,5.838,5,0.337,0.73,1.0,0.3219621684600096,0.5695291618120759,0.9789082311013638,0.9908590912206154,0.7153146631485162
EOS-3-51137,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)nc2F)nc1,LYKLFEMSQYPPQL-UHFFFAOYSA-N,3,1,0.362,73,775,471.79,3.083,5,0.281,0.57,1.0,0.7678363374683024,0.7975207319580563,0.4508258515523268,0.5184017545062024,0.6336461688712219
EOS-3-51138,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(-c5ccco5)cn4)n23)s1,KNYFMCRJXSGHBW-UHFFFAOYSA-N,3,1,0.338,32,20,454.49,5.684,6,0.341,0.69,0.996,0.1761788088547735,0.4017716400520869,0.5065536974847509,0.589695702830512,0.41854996230553076
EOS-3-51139,Fc1nc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)n4)n23)ccc1-c1cocn1,ROUSXPRMSXIWOX-UHFFFAOYSA-N,3,1,0.438,58,814,472.267,4.304,5,0.337,0.56,0.832,0.784764580906038,0.7237338085120965,0.6058100884106641,0.6893890069220753,0.7009243711877184
EOS-3-51140,C#Cc1ncc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccc(C)nn6)c(F)c5)n34)ncn2)cn1,DMNMEENXFYFADT-UHFFFAOYSA-N,3,1,0.29,94,566,486.474,3.591,6,0.344,0.63,1.0,0.3095315605510246,0.3635288876704818,0.4924782400109657,0.4392176684257419,0.4011890891645535
EOS-3-51141,Cc1nc(-c2ccc(F)cc2)cc(-c2nnc3cncc(OCCc4cnc5c(cnn5C)c4)n23)n1,SZHUSRUEUOGDND-UHFFFAOYSA-N,3,1,0.45,44,531,481.495,3.599,6,0.355,0.53,1.0,0.5253580974573367,0.5649201562607087,0.2702522102666027,0.287548831471455,0.41201982386402575
EOS-3-51142,Cc1c(-c2ccccc2)nn(C)c1-c1nnc2cncc(-c3cnn(-c4ccc(Cl)cc4)c3C)n12,OCQGDZWIYODYMV-UHFFFAOYSA-N,3,1,0.38,3,298,480.963,5.315,6,0.341,0.74,0.657,0.002373038174216983,0.11692138989788226,0.29990233705708996,0.4235487629360565,0.2106863820163114
EOS-3-51143,COc1c(F)ccnc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)cc3Cl)n12,GXCCFYZZNUDJSF-UHFFFAOYSA-N,3,1,0.478,11,0,482.928,4.732,5,0.331,0.7,1.0,0.7790247412788706,0.8252433006647933,0.5439911589335892,0.5284164896168871,0.669168922623535
EOS-3-51144,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cn4)n23)c1,WQKRGLZKGCRKGA-UHFFFAOYSA-N,3,1,0.435,47,109,406.356,2.829,5,0.478,0.66,1.0,0.6923531629086424,0.6413885271742855,0.65029812898362,0.6518059077513536,0.6589614317044754
EOS-3-51146,Cn1nc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1-c1c(F)cccc1F,BOEUZHULTQJYRF-UHFFFAOYSA-N,3,1,0.421,95,562,485.857,4.279,5,0.357,0.67,0.996,0.5073589884175177,0.5141011582482352,0.7804040161743541,0.8408094030566787,0.6606683914741964
EOS-3-51147,Cc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cc2)n1,UTJPSRJJTLZRGQ-UHFFFAOYSA-N,3,1,0.524,57,480,448.313,6.261,5,0.325,0.86,1.0,0.860324857789048,0.927352477554657,0.930676444383524,0.9412308957576588,0.9148961688712219
EOS-3-51148,Cc1cc(C(F)F)cnc1-c1nnc2cncc(-c3ccc(-c4cc(F)cnc4F)cc3)n12,KXUSZKRZXXBICF-UHFFFAOYSA-N,3,1,0.279,96,315,450.399,5.44,5,0.269,0.78,0.971,0.3833527516962511,0.4780001370707971,0.967043040230279,0.9621427592351449,0.697634672058118
EOS-3-51149,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cnc(F)c(Cl)n4)n23)cc1Cl,KVAWFXQITSXCLC-UHFFFAOYSA-N,3,1,0.506,37,563,485.31,4.049,5,0.358,0.61,1.0,0.6380988280446851,0.6904684394489754,0.589798505928312,0.6518144746761703,0.6425450620245357
EOS-3-51150,COCCNC(=O)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ncnn4C)n23)cc1,FBTHQPVSQDIVOA-UHFFFAOYSA-N,3,1,0.408,89,926,486.496,1.332,5,0.303,0.68,0.999,0.2347251730518813,0.02201699677883627,0.01958399013090261,0.006913508327050922,0.07080991707216777
EOS-3-51151,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nnc6cnccn56)nn4)n23)cc1,UAYYPUSKFGLXAB-UHFFFAOYSA-N,3,1,0.345,94,507,488.45,2.949,7,0.363,0.61,0.988,0.28828558700568846,0.3538482626276472,0.20986395723391132,0.34075800150777874,0.2981889520937564
EOS-3-51152,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3nnc(-c4cnccn4)s3)n12,VLBIEMDISCCJSI-UHFFFAOYSA-N,3,1,0.436,7,52,457.401,3.151,5,0.354,0.44,1.0,0.5227623192378864,0.6660441367966554,0.2999109039819067,0.29982523473373995,0.4471356486875471
EOS-3-51153,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCCc4nc(-c5cnccn5)ncc4F)n23)nc1,ITPRWPGCHFNDQB-UHFFFAOYSA-N,3,1,0.423,65,324,486.471,1.896,5,0.335,0.6,0.987,0.334744020286478,0.14521794256733603,0.03221163731067096,0.014717976835035295,0.13172289424988007
EOS-3-51154,Clc1cccc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)c(Cl)n2)n1,ZFKLYGBSPSRKMI-UHFFFAOYSA-N,3,1,0.615,24,28,455.33,5.196,5,0.339,0.62,1.0,0.6469056267562195,0.8018898636145569,0.6206994037420328,0.7146014666575287,0.6960240901925845
EOS-3-51155,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)ns4)n23)c(F)c1,ZUUBRGMUDGNUJP-UHFFFAOYSA-N,3,1,0.479,6,414,485.508,3.823,6,0.35,0.67,1.0,0.4579278322253444,0.5278596395038038,0.2202984716606127,0.24030224110753204,0.3615970461243232
EOS-3-51156,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccc(Cl)nn5)n4)n23)cc1,KLEPSQZRWHAABA-UHFFFAOYSA-N,3,1,0.306,39,527,489.29,2.988,6,0.363,0.65,0.445,0.0202522102666027,0.17276060585292302,0.06518573093002536,0.2315297100952642,0.12243206428620382
EOS-3-51157,Fc1ccc(-c2ccc(CCCc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cn2)cn1,PFUVGIDVIDNXRQ-UHFFFAOYSA-N,3,1,0.494,14,886,460.463,5.5,5,0.3,0.7,1.0,0.530506819272154,0.7510194640531834,0.9034678911657871,0.8950894386950861,0.7700209032965526
EOS-3-51158,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ccc2F)c(C(F)F)n1,RZYKKBKUHUONHJ-UHFFFAOYSA-N,3,1,0.516,37,394,483.429,4.424,5,0.319,0.69,0.998,0.6682372695497224,0.70038037146186,0.8623980535946817,0.8147916523884586,0.7614518367486807
EOS-3-51159,Fc1ccccc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4ncccc4Cl)cn3)n12,UEXRBTGOJPNESA-UHFFFAOYSA-N,3,1,0.354,64,449,480.894,5.165,6,0.343,0.69,0.996,0.2828712905215544,0.41122095812487147,0.6262250702487835,0.7566222328832842,0.5192348879446234
EOS-3-51160,Fc1ccc(-c2cccnn2)nc1-c1nnc2cncc(-c3ccc(-c4cncnn4)c(F)c3F)n12,FKKNLTKJSDSOLY-UHFFFAOYSA-N,3,1,0.282,10,887,484.405,3.58,6,0.37,0.53,0.668,0.2911983414433555,0.3967171544102529,0.6641080117880885,0.7146100335823453,0.5166583853060106
EOS-3-51161,Cc1ncnc(-c2nc(CF)n(C)c2COc2cncc3nnc(-c4ccccc4F)n23)c1Cl,RNBQVZHAHRALLZ-UHFFFAOYSA-N,3,1,0.473,4,911,482.882,4.131,5,0.359,0.59,1.0,0.4602152011513947,0.6319392091015009,0.19924097046124323,0.31859536700705915,0.40249768693029947
EOS-3-51162,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(Cl)n6)cc5)n34)cc2)cnn1,JCLKMWQHUCYUDP-UHFFFAOYSA-N,3,1,0.296,69,98,476.931,5.334,6,0.317,0.69,1.0,0.2454766636967994,0.3444246453293126,0.7303303406209307,0.7332687958330477,0.5133751113700227
EOS-3-51163,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5F)n34)s2)nn1C,RNHDJCIBNVDLEH-UHFFFAOYSA-N,3,1,0.317,76,653,473.562,5.491,6,0.338,0.7,1.0,0.12414330751833322,0.3206599958878761,0.4287488862997738,0.42049893770132274,0.32351278185182647
EOS-3-51164,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5nnnn5C)n34)c(F)c2)n1,QXXCBROIYYZGFG-UHFFFAOYSA-N,3,1,0.443,36,404,406.385,1.433,5,0.431,0.71,1.0,0.4232232197930231,0.5554280035638407,0.06958913028579261,0.08338187924062779,0.28290555822082103
EOS-3-51166,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(Cl)c(F)c5)n34)cn2)n[nH]1,PYWOGGFOZDLPKB-UHFFFAOYSA-N,3,1,0.314,50,478,406.812,3.739,5,0.458,0.71,0.718,0.27451853882530325,0.39672572133506956,0.6383815365636352,0.6807706805565075,0.49759911932012885
EOS-3-51167,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(C)O)nc4)n23)cn1,NZENLPZGJMIUEF-UHFFFAOYSA-N,3,1,0.364,63,364,404.434,1.154,4,0.506,0.73,1.0,0.19329552463847577,0.10442224659036392,0.04818038516893976,0.005439997258584059,0.08783453841409088
EOS-3-51168,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c(Cl)n1,JQAOUMJLPPYORF-UHFFFAOYSA-N,3,1,0.5,58,271,478.343,4.88,5,0.321,0.65,1.0,0.8692344595983825,0.8704680967719828,0.5542971694880405,0.620151120553766,0.7285377116030429
EOS-3-51169,CCn1cnnc1-c1cccc(-c2nnc3cncc(OCCc4c(Cl)ncc(F)c4F)n23)c1,OIEIYTRFSSAKIB-UHFFFAOYSA-N,3,1,0.511,37,908,482.882,4.018,5,0.323,0.61,1.0,0.5983739976697965,0.6133918168734152,0.5338736207251045,0.5807004317730108,0.5815849667603318
EOS-3-51170,COc1ncccc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)c1,FYLGVVPVLPYKGV-UHFFFAOYSA-N,3,1,0.544,88,919,478.434,4.296,5,0.323,0.58,0.996,0.8252775683640601,0.8527345624014804,0.868009389349599,0.7994654238914399,0.8363717360016448
EOS-3-51171,CCn1c(-c2cncc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,YZOZIMOKPNVWIZ-UHFFFAOYSA-N,3,1,0.295,8,474,485.964,4.909,6,0.342,0.74,1.0,0.22920807346994723,0.3001936125008567,0.17611884038105682,0.3186039339318758,0.2560311150709341
EOS-3-51172,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)nn5)n34)nn2)cc1F,UFBLIAPCEGNCPM-UHFFFAOYSA-N,3,1,0.303,10,783,487.861,4.428,6,0.362,0.71,0.615,0.03659790281680488,0.2538294153930505,0.7527499828661504,0.8601620862175313,0.4758348468233843
EOS-3-51173,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)c1Cl,QALNPPVGJGNTSV-UHFFFAOYSA-N,3,1,0.595,84,143,469.904,5.468,5,0.309,0.71,1.0,0.9086680145295045,0.9290144609690906,0.8967428551847029,0.9139795079158385,0.9121012096497841
EOS-3-51174,CCc1[nH]c(-c2cccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c2)nc1CO,CEWCKBFIITWZEM-UHFFFAOYSA-N,3,1,0.485,15,589,459.485,3.392,5,0.366,0.55,0.406,0.5047889109725173,0.4912446028373655,0.32562024535672673,0.2966554725515729,0.4045773079295456
EOS-3-51175,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4cc(Cl)ccc4F)n23)cn1,VMMQKGBSYNRFLP-UHFFFAOYSA-N,3,1,0.346,45,575,405.824,4.046,5,0.453,0.79,0.992,0.2666626687684189,0.41583853060105547,0.7930230964293057,0.834795421835378,0.5775799294085395
EOS-3-51176,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)cc2)n[nH]1,ZAMZKVIWURNEMY-UHFFFAOYSA-N,3,1,0.301,38,154,407.397,3.293,6,0.472,0.61,1.0,0.17618737577959015,0.16061270646288808,0.3515523267767802,0.337605373175245,0.2564894455486259
EOS-3-51177,Clc1nc(-c2ccncc2)oc1COc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,SDXFYSIXXWNVLW-UHFFFAOYSA-N,3,1,0.488,40,355,482.891,4.531,6,0.337,0.67,1.0,0.8042886025632239,0.7595778219450346,0.48226646562949765,0.4708210540744294,0.6292384860530463
EOS-3-51178,Cc1cc(-c2c(CO)ccnc2Cl)ccc1-c1cncc2nnc(-c3cnc(C(F)F)cn3)n12,VNOVDSXUFKXPHE-UHFFFAOYSA-N,3,1,0.266,82,315,479.878,4.702,5,0.364,0.58,0.007,0.34185456788431223,0.43394044273867455,0.8967514221095195,0.8681378932218491,0.6351710814885889
EOS-3-51179,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cn2)cc1,XMVRLMOHTGFYPC-UHFFFAOYSA-N,3,1,0.273,10,195,406.413,2.824,6,0.478,0.69,0.793,0.007590295387567679,0.052703721472140364,0.23112706462888083,0.26108560071276815,0.13812667055033925
EOS-3-51180,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)o2)cc1,AGEMRIBFIFNFSU-UHFFFAOYSA-N,3,1,0.3,30,465,483.495,4.756,7,0.345,0.69,1.0,0.05838359262559112,0.06438900692207525,0.3515608937015969,0.4205075046261394,0.22371024946885065
EOS-3-51181,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5ccc(F)cn5)n34)cc2)CC1,GIWLMUODYNTMQK-UHFFFAOYSA-N,3,1,0.424,0,334,402.433,3.199,5,0.554,0.79,1.0,0.3122472757179083,0.19894969501747653,0.17293194434925638,0.27271091768898637,0.2392099581934069
EOS-3-51182,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncs5)n4)n23)c(F)c1,PZRMXILOPIFHNB-UHFFFAOYSA-N,3,1,0.505,40,667,484.52,4.428,6,0.345,0.68,1.0,0.6126893290384483,0.6563035432801042,0.46852511822356246,0.417217805496539,0.5386839490096635
EOS-3-51183,COc1cnc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,HJHKRGNZZUJOLA-UHFFFAOYSA-N,3,1,0.489,15,777,478.509,4.088,5,0.308,0.62,1.0,0.8278733465835104,0.7145757658830786,0.5802121170584607,0.37635357412103354,0.6247537009115207
EOS-3-51184,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5cncc(C#CCO)n5)cnn4)n23)c1F,XOFZSTHCLIVWPC-UHFFFAOYSA-N,3,1,0.389,31,466,483.467,1.846,5,0.356,0.55,0.838,0.5073675553423344,0.3920481803851689,0.37812692755808375,0.2936998834898225,0.39281063669385236
EOS-3-51185,CCOc1cc(F)ccc1-c1nnc2cncc(-c3scnc3-c3cccc(Cl)c3)n12,UERVSBHRPRNXDF-UHFFFAOYSA-N,3,1,0.412,96,46,451.914,5.773,5,0.339,0.76,1.0,0.3741518744431499,0.6036512233568638,0.7827342197244876,0.8348039887601947,0.648835326571174
EOS-3-51186,Cc1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cc(C)on5)s4)n23)nc1,KEIXAOPMTJTTPV-UHFFFAOYSA-N,3,1,0.284,76,368,457.544,5.31,6,0.354,0.61,0.998,0.05157288739634021,0.03807141388527174,0.1354345144267014,0.1479936262079364,0.09326811047906244
EOS-3-51188,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4cccc(F)c4)n23)cc1,YWVYQYDHLBDZEX-UHFFFAOYSA-N,3,1,0.495,0,646,401.445,3.608,5,0.536,0.89,1.0,0.37652491261736687,0.3492735247755466,0.35537317524501405,0.4677455280652457,0.38722928517579325
EOS-3-51189,Fc1ccc(-c2nnc3cncc(CCc4ccc(OC(F)F)nn4)n23)cc1F,JEEWQKKBSWJCOS-UHFFFAOYSA-N,3,1,0.494,66,225,404.327,3.246,4,0.459,0.82,1.0,0.8794376670550339,0.9459512713316428,0.8707165375916661,0.8770903296552669,0.8932989514084024
EOS-3-51190,Fc1cccc(-c2ccccc2-c2nnc3cncc(-c4nc(-c5ccccc5)ns4)n23)c1,JWCVOOAAPPKERF-UHFFFAOYSA-N,3,1,0.419,93,203,450.502,5.783,6,0.34,0.75,1.0,0.15445308751970394,0.3685576725378658,0.5996419025426633,0.7360701802480981,0.4646807107120827
EOS-3-51192,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc(Cl)n2)c[nH]1,FUMJKJDCVKLKFS-UHFFFAOYSA-N,3,1,0.483,4,964,458.334,4.832,5,0.379,0.52,0.947,0.5839644301281612,0.6563121102049209,0.5475464327325064,0.5987166746624631,0.5966349119320129
EOS-3-51193,Cc1nc(Cl)cnc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,LWEWQFSUCHJTHJ-UHFFFAOYSA-N,3,1,0.57,90,255,405.22,3.915,4,0.512,0.73,1.0,0.9159413336988554,0.9534987320951271,0.6994722774312933,0.795130559934206,0.8410107257898705
EOS-3-51194,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)nc2F)nn1,AZXOHOVGRWHWRV-UHFFFAOYSA-N,3,1,0.385,46,223,484.282,3.767,5,0.344,0.59,1.0,0.7410304297169488,0.7237423754369131,0.46138030292646154,0.5451648276334727,0.617829483928449
EOS-3-51195,Cc1ccnc(C)c1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1F,TUWJVJJPUPJNEC-UHFFFAOYSA-N,3,1,0.54,35,429,474.927,5.279,5,0.333,0.66,1.0,0.9491210335138098,0.9321670893016243,0.8211397436776094,0.7951391268590227,0.8743917483380166
EOS-3-51196,Fc1ccc(Oc2ccccc2-c2cncc3nnc(-c4ccccc4F)n23)c(Cl)c1,BCBOBDABCUOSCR-UHFFFAOYSA-N,3,1,0.425,83,480,434.833,6.182,5,0.339,0.85,1.0,0.5509817695839901,0.7377321636625317,0.9758584058666301,0.9855475978342814,0.8125299842368583
EOS-3-51197,Cc1ccc(-c2cc(-c3nnc4cncc(COCc5ccc(F)c(Cl)c5)n34)cc(C)n2)nc1,NXISHCGCFDARLQ-UHFFFAOYSA-N,3,1,0.614,14,358,474.927,5.374,5,0.329,0.71,1.0,0.5305153861969707,0.5415838530601056,0.8467291481049962,0.8207884997601261,0.6849042217805497
EOS-3-51198,Cc1cnc(C)c(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)cnc2Cl)c1,GMVSLPTTZLCNJW-UHFFFAOYSA-N,3,1,0.49,65,552,475.915,4.674,5,0.329,0.61,1.0,0.8400383798231786,0.8839096018093345,0.7201271331642793,0.6807792474813241,0.7812135905695291
EOS-3-51199,Cc1ccc(-c2nnc3cncc(OCc4cnc(C(=O)NCCc5ccc(F)nc5)s4)n23)cc1,JMVZFKJKZRMRJV-UHFFFAOYSA-N,3,1,0.538,89,656,489.536,3.642,5,0.332,0.73,1.0,0.507376122267151,0.2640497566993352,0.1694966074977726,0.13403810568158453,0.26874014803646085
EOS-3-51200,CC1CCC(CO)N1C(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)nn4)n23)cc1,ZHWRJNIRQGCCKT-UHFFFAOYSA-N,3,1,0.336,52,295,482.508,1.814,6,0.397,0.58,1.0,0.022222602974436297,0.016542731820985538,0.04657837022822288,0.07445514358165993,0.03994971215132616
EOS-3-51201,O=C(c1ccc(-c2cncc3nnc(-c4ncc(CO)cn4)n23)cc1)N1CCCC1,MXBQEXWFMDTPJY-UHFFFAOYSA-N,3,1,0.33,63,825,401.43,1.977,5,0.557,0.85,0.99,0.02127167431978617,0.0017819203618669043,0.00215029812898362,0.007384689191967652,0.008147145500651086
EOS-3-51202,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cccnc6Cl)cn5)n34)cn2)ccn1,VUBZUHFZXSLZBK-UHFFFAOYSA-N,3,1,0.3,42,989,481.882,4.56,6,0.337,0.61,1.0,0.3418631348091289,0.4513141662668768,0.6641165787129052,0.7198444246453293,0.5442845761085601
EOS-3-51203,CCn1cc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)cc5Cl)n34)c2)cn1,BOOZMGWZTDNKIH-UHFFFAOYSA-N,3,1,0.4,14,189,465.344,5.561,5,0.328,0.68,1.0,0.332345281337811,0.38737063943526834,0.8338958947296279,0.8533428140634638,0.6017386573915428
EOS-3-51204,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)c(F)c1,YMYBSCZHLYRWRN-UHFFFAOYSA-N,3,1,0.44,59,153,452.371,4.384,5,0.291,0.57,1.0,0.8146888492906587,0.7809865670618875,0.9610461928586115,0.9604293742718114,0.8792877458707422
EOS-3-51205,Fc1ccc(-c2ncccc2COc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)cn1,JSUXXAJIHXAACD-UHFFFAOYSA-N,3,1,0.43,28,942,476.475,4.423,6,0.325,0.59,0.958,0.7732420670276198,0.709923925707628,0.5238417517647865,0.505054485641834,0.6280155575354671
EOS-3-51206,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccsc5)n34)ncn2)s1,HGLGACZPVQBXJB-UHFFFAOYSA-N,3,1,0.455,92,185,408.472,3.049,5,0.437,0.66,1.0,0.2510023302035501,0.23864882461791515,0.03482454937975464,0.03368514837913782,0.13954021314508944
EOS-3-51207,COC1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)nc2)CC1,WEMMIFNONFGQKH-UHFFFAOYSA-N,3,1,0.295,52,821,491.555,4.166,6,0.364,0.88,0.959,0.04993660475635666,0.004754643273250634,0.030952299362620794,0.12551401548900007,0.05278939072030704
EOS-3-51208,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c(F)n1,SQJSZNXNXKUKSN-UHFFFAOYSA-N,3,1,0.463,26,265,482.882,4.018,5,0.323,0.61,0.999,0.7137276403262285,0.6319477760263176,0.6086714412994312,0.6141371393324652,0.6421209992461107
EOS-3-51209,Fc1cc(-c2nnco2)ccc1Oc1cncc2nnc(-c3ccc(-c4cnsc4)cc3F)n12,ATMCIKGTEOVCQC-UHFFFAOYSA-N,3,1,0.422,41,870,475.44,5.035,6,0.342,0.63,1.0,0.6865019532588582,0.6952145157974093,0.8158282502912755,0.7994739908162566,0.7492546775409499
EOS-3-51210,Cc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)s2)nn1,ZWZXFKGIJXABRN-UHFFFAOYSA-N,3,1,0.424,6,843,482.533,3.388,6,0.351,0.57,1.0,0.26153964772805155,0.29001610581865533,0.06736172983345898,0.04811184977040642,0.16675733328764306
EOS-3-51211,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccco5)cn4)n23)cc1,FNNQGZYASRXVQV-UHFFFAOYSA-N,3,1,0.584,97,335,404.817,4.074,5,0.436,0.85,1.0,0.9227006373792064,0.9303937358645741,0.5707713659104928,0.6227126310739497,0.7616445925570556
EOS-3-51212,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nnc(-n5cnnn5)cc4Cl)n23)nc1,QUGVLNHLDUNIPS-UHFFFAOYSA-N,3,1,0.355,33,760,490.875,1.077,6,0.347,0.69,0.71,0.209975327256528,0.20345589747104378,0.010931396066068124,0.023293468576519774,0.11191402234253991
EOS-3-51213,Cc1cnc(-c2cc(Cl)cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)cn1,IFSCGTKNCIBGHV-UHFFFAOYSA-N,3,1,0.467,73,564,482.306,4.977,5,0.349,0.66,1.0,0.8017699266671235,0.7935456788431224,0.8761479679254335,0.8869508601192516,0.8396036083887327
EOS-3-51214,Fc1cc(-c2cncs2)cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)c1,BJTHLEZIPXHGRF-UHFFFAOYSA-N,3,1,0.617,88,222,469.904,5.468,5,0.33,0.69,1.0,0.8648053594681653,0.9181258995271058,0.9344801590021246,0.9468079638133096,0.9160548454526762
EOS-3-51215,Cn1cc(-c2cnc(F)c(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)c(F)c5)n34)c2)cn1,CEPFUONBQYFNLI-UHFFFAOYSA-N,3,1,0.345,42,287,484.445,4.733,6,0.336,0.7,1.0,0.15728873963402099,0.36856623946268247,0.882607429237201,0.8827016654101844,0.5727910184360222
EOS-3-51216,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc(Cl)n2)cn1,QSOMLTZAORGRLK-UHFFFAOYSA-N,3,1,0.456,55,525,485.722,4.578,5,0.333,0.71,1.0,0.5199009663491193,0.7190305667877459,0.7070454389692276,0.792783222534439,0.6846900486601329
EOS-3-51217,FC(F)(c1ccc(-c2nnc3cncc(-c4ncnn4C4CCC4)n23)cn1)C1CC1,DMEZAQSXGDPJCG-UHFFFAOYSA-N,3,1,0.366,78,792,408.416,3.672,6,0.501,0.59,0.205,0.15729730655883764,0.2640583236241519,0.04177232540607224,0.2551401548900007,0.17956702761976562
EOS-3-51218,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)n1,GOFYQBUTERCRJL-UHFFFAOYSA-N,3,1,0.423,18,531,480.866,3.9,5,0.337,0.56,1.0,0.781980330340621,0.6904770063737921,0.5639263929819752,0.5957610856007127,0.6580362038242753
EOS-3-51219,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)nc2F)n1,JPPDNSMGUZDSOV-UHFFFAOYSA-N,3,1,0.396,18,814,484.829,3.731,5,0.336,0.6,0.998,0.7932201357000891,0.8462579672400795,0.6778236584195737,0.7332773627578645,0.7626447810294017
EOS-3-51220,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(-c5nncn5C)c4)n23)nn1,WRAAPXLGXVZBJF-UHFFFAOYSA-N,3,1,0.393,67,765,485.899,3.223,6,0.361,0.61,1.0,0.46504694674799535,0.5897556713042287,0.160098690973888,0.18548248920567473,0.3500959495579467
EOS-3-51221,FC(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cccc(Cl)c5)cn4)n23)cc1,IOCBYOLBEOIVAB-UHFFFAOYSA-N,3,1,0.477,57,417,449.848,6.237,5,0.318,0.85,1.0,0.939962990884792,0.9365961894318415,0.9798934274552806,0.9796706874100473,0.9590308237954903
EOS-3-51222,Cc1ccc(-c2nnc3cncc(OCc4csc(-c5nc(C(F)(F)F)cs5)c4)n23)cn1,MJPHOMHJNRWAKC-UHFFFAOYSA-N,3,1,0.536,27,69,474.493,5.278,5,0.345,0.67,1.0,0.7410389966417654,0.7281886094167638,0.8518607360701802,0.6748338016585567,0.7489805359468165
EOS-3-51223,Cc1cc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)ccc1F,QCEUOWBEYJTJCW-UHFFFAOYSA-N,3,1,0.564,68,900,404.327,3.627,4,0.484,0.76,1.0,0.9253735179220067,0.9142622164347886,0.9480844356109931,0.860170653142348,0.9119727057775341
EOS-3-51224,Cc1ncc(-c2cccc(-c3nnc4cncc(CCc5ccc(F)c(Cl)c5)n34)c2)s1,HWKBISIDEXLXGO-UHFFFAOYSA-N,3,1,0.489,14,358,449.942,5.801,5,0.34,0.71,1.0,0.4511856623946268,0.5695377287368926,0.8265797409361936,0.8533513809882805,0.6751636282639983
EOS-3-51225,CCc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cncc(C)n1,SEEHHFNYYVNCFE-UHFFFAOYSA-N,3,1,0.406,31,690,472.94,4.184,5,0.325,0.54,0.799,0.5405729559317387,0.6085343705023645,0.16950517442258928,0.17714687135905696,0.37393984305393735
EOS-3-51226,CCn1cncc1-c1cc(C#N)cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)c1,RZKUOLAWBUYESG-UHFFFAOYSA-N,3,1,0.404,13,724,477.862,5.27,5,0.342,0.69,1.0,0.7200671646905626,0.7145843328078952,0.944503461037626,0.9343602220546913,0.8283787951476939
EOS-3-51227,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5sc(Cl)cc5F)n34)c2)cs1,DICCGUATEVXVOB-UHFFFAOYSA-N,3,1,0.494,4,92,457.943,5.656,5,0.341,0.74,1.0,0.6682458364745391,0.7510280309780001,0.6806507436090741,0.6924216983071757,0.6980865773421973
EOS-3-51228,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(C(F)(F)F)n5)ncc4F)n23)nc1,FENOEIAVSIACJC-UHFFFAOYSA-N,3,1,0.411,46,348,481.413,4.689,5,0.337,0.64,1.0,0.8813737920636009,0.8018984305393736,0.9439466109245426,0.8632633130011651,0.8726205366321704
EOS-3-51229,Fc1ccc(-n2cnc(COc3cncc4nnc(-c5ccnc(-c6ccc(F)nc6)c5)n34)n2)nc1,YCIZBFWNWWOYPF-UHFFFAOYSA-N,3,1,0.41,6,525,484.43,3.081,6,0.328,0.61,0.998,0.36478822561853197,0.382787334658351,0.39644301281611954,0.41084401343293814,0.38871564663148517
EOS-3-51230,Cn1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ccc(C(F)F)nc1,YXYZKFKVJUOPPL-UHFFFAOYSA-N,3,1,0.455,95,493,482.882,4.194,5,0.321,0.67,1.0,0.49220409841683227,0.505260091837434,0.7172315125762456,0.6689825920087725,0.5959195737098211
EOS-3-51231,CCn1cnnc1-c1ccc(Cl)c(COc2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)c1,MFYFWEMJZQBGMP-UHFFFAOYSA-N,3,1,0.439,36,908,489.927,3.057,5,0.37,0.7,1.0,0.5458416146939894,0.5742923720101433,0.1890034953053252,0.15309951339867042,0.36555924885203206
EOS-3-51232,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(C5COC5)c4)n23)nc1,ZKYJVPSWTHZDLF-UHFFFAOYSA-N,3,1,0.272,63,108,402.418,1.513,6,0.538,0.82,1.0,0.053080666164073746,0.02432149955451991,0.014863614556918649,0.032580015077787676,0.031211448838324996
EOS-3-51233,Cc1nccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)n(C)n4)n23)c1F,NGRKJQAWUXBVIH-UHFFFAOYSA-N,3,1,0.479,95,998,481.894,4.448,5,0.356,0.6,0.998,0.5405815228565554,0.5415924199849222,0.7617195531492016,0.7643924336920019,0.6520714824206703
EOS-3-51234,Fc1ccc(COc2cncc3nnc(-c4cc(Cl)cc(-c5ncc(Cl)cn5)c4)n23)s1,DVFPRZMOJGHGHW-UHFFFAOYSA-N,3,1,0.595,73,82,473.32,5.335,5,0.343,0.66,1.0,0.7618823247207183,0.8135837159893085,0.8120930710712083,0.8650109656637653,0.81314251936125
EOS-3-51236,Cn1cc(-c2ccc(-c3cncc4nnc(-c5cc(Cl)ccc5F)n34)nn2)cn1,WUIKHEAJVKFBNR-UHFFFAOYSA-N,3,1,0.347,22,844,406.812,3.441,5,0.456,0.65,0.978,0.13271023233500104,0.34928209170036323,0.6445668562812693,0.722405935165513,0.4622412788705366
EOS-3-51237,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5nc(Cl)cnc5Cl)ncn4)n23)nc1,VPQGVCVWYHHSAW-UHFFFAOYSA-N,3,1,0.388,46,726,486.71,3.973,5,0.363,0.63,0.863,0.519909533273936,0.7099324926324446,0.4036563635117538,0.5645346446439586,0.5495082585155233
EOS-3-51238,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cncs5)n34)c2)s1,VASHQKFPBHPJBX-UHFFFAOYSA-N,3,1,0.537,72,506,407.484,3.654,5,0.439,0.71,1.0,0.43448872592694127,0.36353745459529846,0.10711226098279762,0.0986824069631965,0.25095521211705846
EOS-3-51239,Cc1cnnc(-c2cnc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)n1,BXZSGERCBWLRQZ-UHFFFAOYSA-N,3,1,0.529,16,391,483.294,4.372,5,0.34,0.62,1.0,0.9201219930093893,0.9471506408059763,0.7172400795010623,0.7812864094304708,0.8414497806867247
EOS-3-51240,Cc1cc(-c2cc(Cl)c(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn2)n(C)n1,KBRLRZFUFUFJGM-UHFFFAOYSA-N,3,1,0.457,58,954,481.347,4.219,5,0.335,0.62,0.997,0.5330169282434377,0.5052686587622507,0.36291206908368173,0.42355732986087313,0.4561887464875608
EOS-3-51241,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5c(F)cc(F)c(F)c5Cl)n34)c2)cn1,RZNMTKNVAPPAHI-UHFFFAOYSA-N,3,1,0.506,59,607,470.842,4.842,5,0.271,0.69,1.0,0.6321191145226509,0.7237509423617299,0.9702213693372627,0.9640189157699952,0.8225275854979096
EOS-3-51242,Cn1ccc(-c2cc(-c3cncc4nnc(-c5ccc(F)cc5Cl)n34)ncn2)n1,JEWNGGZHUIUNJL-UHFFFAOYSA-N,3,1,0.386,22,844,406.812,3.441,5,0.456,0.67,1.0,0.18782125968062505,0.3967342882598862,0.6086800082242478,0.6867332602289082,0.46999220409841685
EOS-3-51243,Cn1cncc1-c1cc(F)c(-c2cncc3nnc(-c4cnc(CC#Cc5ccncc5)nc4)n23)cn1,XIKBUAFUQJGCDZ-UHFFFAOYSA-N,3,1,0.266,86,780,488.49,3.172,6,0.348,0.67,1.0,0.24271811390583237,0.27439003495305325,0.4993574806387499,0.45514358165992735,0.36790230278939073
EOS-3-51244,Cc1c(F)ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)c(F)c1,OJDMXOKFZKOOMO-UHFFFAOYSA-N,3,1,0.409,45,102,451.839,5.899,5,0.343,0.7,1.0,0.465055513672812,0.7510365979028168,0.9830374888629977,0.9890600370091152,0.7970474093619354
EOS-3-51245,CCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1csc(C)n1,BQWYWPYNKRNLJI-UHFFFAOYSA-N,3,1,0.443,49,578,477.981,4.851,5,0.309,0.72,1.0,0.5509903365088068,0.6319563429511342,0.22736618463436364,0.22537865807689672,0.40892288054280035
EOS-3-51246,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)c1,WZYZZKQPHFLFPE-UHFFFAOYSA-N,3,1,0.552,35,429,482.306,4.711,5,0.324,0.64,1.0,0.9507573161537934,0.9564885888561442,0.8321910766911109,0.8756253855116167,0.9037655918031664
EOS-3-51247,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1-c1csc(C)n1,UOMMEHMQZAIJGF-UHFFFAOYSA-N,3,1,0.394,31,690,478.969,4.246,5,0.342,0.6,0.16,0.45346446439586047,0.5463299294085395,0.07586868617641011,0.08692001918991159,0.29064577479268044
EOS-3-51248,N=c1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4ncc(F)cc4Cl)n23)[nH]1,CMTLOAZKBKQIQM-UHFFFAOYSA-N,3,1,0.366,73,963,481.854,3.004,5,0.381,0.56,1.0,0.5022788020012336,0.3589027482694812,0.49936604756356656,0.554854019601124,0.47885040435885134
EOS-3-51249,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnc(F)c6)c(F)c5)n34)nc2)nn1,ODCPKDPTLFKLQN-UHFFFAOYSA-N,3,1,0.326,42,572,479.454,4.354,6,0.344,0.55,1.0,0.3271794256733603,0.4733654307449798,0.6588479199506545,0.6719039133712562,0.5328241724350627
EOS-3-51250,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc(Cl)n2)nn1,FKGBNSOEHBEHTF-UHFFFAOYSA-N,3,1,0.622,59,483,482.306,4.977,5,0.327,0.69,0.995,0.8603334247138648,0.8788122815434172,0.8403039544924954,0.865019532588582,0.8611172983345898
EOS-3-51251,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccncc5Cl)n34)cn2)nc1,VGSYQXDCNNLXQP-UHFFFAOYSA-N,3,1,0.329,73,930,404.796,3.498,5,0.454,0.77,0.995,0.38102254814611747,0.45583750257007744,0.5605595915290248,0.6603471317935714,0.5144416935096978
EOS-3-51252,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ccnn5C)nn4)n23)nn1,SYKBETHQDNJQCC-UHFFFAOYSA-N,3,1,0.382,53,44,415.421,1.097,5,0.396,0.47,0.965,0.31479165238845863,0.12032245905009938,0.01032314440408471,0.0063052566650675075,0.11293562812692755
EOS-3-51253,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1cc(Cl)ncn1,NBYWPZBXZOUAAY-UHFFFAOYSA-N,3,1,0.452,46,390,469.267,4.063,5,0.281,0.61,0.988,0.7231084230004797,0.8892553628949352,0.6722637242135563,0.7384946199712151,0.7557805325200466
EOS-3-51254,COc1nc(-c2nnc3cncc(OCCc4cncnc4F)n23)ccc1-c1ccc2c(c1)OCO2,BFTUGHWVFMEURD-UHFFFAOYSA-N,3,1,0.48,49,501,487.451,3.141,6,0.317,0.67,1.0,0.8736121581796998,0.532314440408471,0.4546209992461106,0.312487149612775,0.5432586868617642
EOS-3-51255,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1csc(C)n1,QKZKVRSEPKLYAG-UHFFFAOYSA-N,3,1,0.506,4,61,469.979,5.526,5,0.325,0.74,1.0,0.6835292303474745,0.7377407305873483,0.5742152696867933,0.4766979644986636,0.6180457987800699
EOS-3-51256,FCCn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cnc1Cl,IYEPFAXLSXMXJS-UHFFFAOYSA-N,3,1,0.364,51,196,486.298,3.695,5,0.321,0.69,0.954,0.5586406003700911,0.5649287231855253,0.3553817421698307,0.4457199643615928,0.48116775752175994
EOS-3-51257,O=C(NOC(F)F)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)c(F)c1,WSDXZCFUSMSACU-UHFFFAOYSA-N,3,1,0.388,66,225,483.332,3.214,4,0.332,0.59,1.0,0.477588924679597,0.5795181961483106,0.9738537454595299,0.9237715029812898,0.7386830923171818
EOS-3-51258,CCn1nncc1-c1ccc(-c2cncc3nnc(-c4nc(-c5ccnn5C)ccc4F)n23)c(F)c1,XZSDUGNQWMXLPR-UHFFFAOYSA-N,3,1,0.255,98,314,484.474,3.81,6,0.366,0.57,1.0,0.10321431019121376,0.18557672537865808,0.3365773421972449,0.38570865602083476,0.2527692584469879
EOS-3-51259,Clc1ccc(-c2sccc2-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cc1,LGMXGWIASUMBFW-UHFFFAOYSA-N,3,1,0.365,32,327,467.945,5.692,6,0.331,0.73,0.998,0.21261394010006168,0.387379206360085,0.6859022685216914,0.7644010006168186,0.5125741038996642
EOS-3-51260,Cc1c(Cl)ncnc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,ITVMCXBOLXEZTL-UHFFFAOYSA-N,3,1,0.4,46,488,482.306,4.977,5,0.327,0.7,1.0,0.8278819135083271,0.852743129326297,0.8139092591323418,0.8481341237749298,0.8356671064354739
EOS-3-51261,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccnc(C(F)F)c4)n23)cn1,MTNLFWRKOWHXNL-UHFFFAOYSA-N,3,1,0.302,50,243,405.372,2.981,5,0.453,0.71,0.888,0.21812247275717908,0.18558529230347476,0.4957936399150161,0.43624494551435816,0.33393658762250705
EOS-3-51262,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)n1,MUNRZJGZQQAAOT-UHFFFAOYSA-N,3,1,0.319,50,259,405.372,2.981,5,0.453,0.71,0.928,0.12415187444314989,0.14522650949215268,0.4287574532245905,0.4362535124391748,0.283597337399767
EOS-3-51263,Cc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(C)N6CCOCC6)nc5)n34)cn2)cn1,XYCKQHFPLVSCFC-UHFFFAOYSA-N,3,1,0.343,82,845,480.536,2.802,6,0.371,0.49,1.0,0.046809677198272906,0.01970392707833596,0.021323075868686175,0.031534850250154206,0.02984288259886231
EOS-3-51264,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(Cl)nn5)cc(C(F)F)c4)n23)cc1,PZBRCYIQFPEWLW-UHFFFAOYSA-N,3,1,0.349,61,124,492.877,4.261,5,0.39,0.82,1.0,0.30166712356932357,0.33435850866972794,0.8230159002124597,0.7489634020971832,0.5520012336371736
EOS-3-51265,Cc1ncc(COc2cncc3nnc(-c4cncnc4-c4nc(C)c(F)o4)n23)o1,AZJWSHMRBILNMV-UHFFFAOYSA-N,3,1,0.506,7,85,408.353,2.559,5,0.427,0.65,0.999,0.7045695976972106,0.5605424576793914,0.07162805839215955,0.0495253923651566,0.34656637653347955
EOS-3-51266,Clc1cnc(COc2cncc3nnc(-c4cnc(-c5ccco5)nc4)n23)cn1,BLXZKOODNCEMOG-UHFFFAOYSA-N,3,1,0.494,7,535,406.793,2.864,5,0.434,0.66,1.0,0.5227708861627031,0.5370005482831882,0.2063258172846275,0.2287625933794805,0.37371496127749987
EOS-3-51267,CCn1cnnc1-c1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1Cl,MAUXOZJMOUHZPC-UHFFFAOYSA-N,3,1,0.477,13,252,470.295,5.308,5,0.346,0.63,1.0,0.5899098759509287,0.8647282571448153,0.7910955383455555,0.8650280995133987,0.7776904427386745
EOS-3-51268,CCc1nc(-c2nnc3cncc(OCc4ccc(F)nc4Cl)n23)ccc1-c1ncc(C)cn1,RGCRSHXEGNMVRD-UHFFFAOYSA-N,3,1,0.406,46,717,476.903,4.281,5,0.334,0.55,0.623,0.6498012473442533,0.622498457953533,0.3183040915632924,0.32458364745390994,0.47879686107874714
EOS-3-51269,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnn(C(F)F)c5)n34)cc2)nc1,YRFZDGFCAXBHTB-UHFFFAOYSA-N,3,1,0.329,50,856,404.384,3.815,5,0.453,0.8,1.0,0.10322287711603043,0.21814817353162907,0.6915136042766089,0.6016379960249468,0.40363066273730375
EOS-3-51270,Cc1cc(COc2cncc3nnc(-c4ccc(-c5sc(C)nc5C)c(C)n4)n23)c(F)cn1,JTVPAPQZUSXRMW-UHFFFAOYSA-N,3,1,0.422,46,690,461.526,4.657,5,0.376,0.52,1.0,0.5809745733671441,0.5006939209101501,0.26297889109725175,0.17715543828387362,0.3804507059146049
EOS-3-51271,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5F)cn4)n23)cc1,GUIDEGUKNPGKLV-UHFFFAOYSA-N,3,1,0.292,10,543,487.861,4.428,6,0.362,0.69,0.806,0.07337571105475979,0.23865739154273183,0.7278373654992804,0.8481426906997465,0.47200328969912964
EOS-3-51272,Oc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccco6)cc5)n34)cc2)cc1,WVQDUXVVPMRMEN-UHFFFAOYSA-N,3,1,0.319,21,958,430.467,6.091,6,0.366,0.76,1.0,0.2642296621204852,0.18980021931327531,0.906749023370571,0.9051127407305873,0.5664729113837297
EOS-3-51273,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6c[nH]nn6)cn5)n34)cc2)no1,JVYCRUMBCIYHNO-UHFFFAOYSA-N,3,1,0.319,38,983,408.385,2.688,6,0.467,0.57,1.0,0.1573058734836543,0.13421801110273457,0.25586834349941745,0.2610941676375848,0.2021215989308478
EOS-3-51274,Fc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)cn2)n1,PMKNUJWXZMOYRU-UHFFFAOYSA-N,3,1,0.423,32,594,480.894,5.165,6,0.343,0.66,1.0,0.33715132615996163,0.5463384963333562,0.7733620039750532,0.8445017476526626,0.6253383935302584
EOS-3-51275,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc(-c2ccc(F)cn2)n1,XHTSBPKYVNVJQY-UHFFFAOYSA-N,3,1,0.659,88,360,478.89,5.11,5,0.337,0.63,1.0,0.9678740319374958,0.9394661092454253,0.8872335686382017,0.8856658213967514,0.9200598828044685
EOS-3-51276,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5c(Cl)ncc(C)c5F)n34)c2)n1,NNNKTJVVMQJGQO-UHFFFAOYSA-N,3,1,0.479,65,349,477.891,3.464,5,0.339,0.52,1.0,0.6558066616407374,0.7099410595572613,0.3219107669111096,0.3376139401000617,0.5063181070522925
EOS-3-51277,COCc1ncc(-c2cccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)nn1,WRJJKFGSGDZFON-UHFFFAOYSA-N,3,1,0.453,16,55,478.875,3.556,5,0.324,0.51,1.0,0.6321276814474677,0.6036597902816805,0.5172709204304023,0.5050630525666506,0.5645303611815502
EOS-3-51278,Cn1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)n1,CQVLFKKNBWVUDZ-UHFFFAOYSA-N,3,1,0.431,85,784,403.837,2.621,5,0.454,0.8,1.0,0.24013946953601537,0.4339490096634912,0.1793143033376739,0.29370845041463917,0.2867778082379549
EOS-3-51279,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)no4)n23)cc1,UOJOOQBXZZBENF-UHFFFAOYSA-N,3,1,0.473,71,49,486.883,3.264,6,0.345,0.66,0.994,0.64980981426907,0.5743009389349599,0.1992495373860599,0.2112774998286615,0.4086594476046878
EOS-3-51280,Cc1cc(F)ccc1-c1ncccc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3F)n12,VZONUYABIJKQEM-UHFFFAOYSA-N,3,1,0.318,3,192,480.482,4.902,6,0.357,0.61,1.0,0.2044410938249606,0.4158470975258721,0.7330460557878145,0.7489719690219999,0.5255765540401618
EOS-3-51281,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(C(F)F)nc3)n12,YHFDDBXULNOGPA-UHFFFAOYSA-N,3,1,0.59,90,255,405.767,4.495,4,0.489,0.76,1.0,0.9544753615242273,0.9739822493317799,0.9764752244534302,0.9714036049619629,0.96908411006785
EOS-3-51282,CC(c1ccccc1)c1cncc2nnc(-c3ccccc3-c3nnc(CF)s3)n12,DZYDCFZHLMSVIQ-UHFFFAOYSA-N,3,1,0.37,62,347,416.485,4.931,5,0.406,0.59,1.0,0.11611609896511549,0.16450209032965527,0.4287660201494072,0.4644900966349119,0.2934685765197725
EOS-3-51283,OCc1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1Cl,RBXVWLDJCGNQPC-UHFFFAOYSA-N,3,1,0.562,90,555,403.776,3.189,4,0.515,0.8,1.0,0.9337862380919745,0.9394746761702419,0.9511085600712769,0.9444606264135426,0.942207525186759
EOS-3-51284,OCc1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cn1,BZWWNLUAVYQHEH-UHFFFAOYSA-N,3,1,0.608,68,127,402.336,2.671,4,0.548,0.83,1.0,0.7587639640874512,0.737749297512165,0.9433469261873758,0.8207970666849428,0.8151643136179837
EOS-3-51285,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(C(F)F)nc5)cnn4)n23)c1F,TTWGZNVRQAOZQA-UHFFFAOYSA-N,3,1,0.446,18,265,482.401,3.876,5,0.322,0.61,0.999,0.7762062230141868,0.7330203550133644,0.8773130697005003,0.8388390103488452,0.8063446645192243
EOS-3-51286,Cc1cc(-c2nnc(C(F)F)nc2-c2nnc3cncc(Cl)n23)ccc1Cl,HBZCTRZLAQAHCE-UHFFFAOYSA-N,3,1,0.444,68,861,408.199,4.196,4,0.506,0.59,0.906,0.28018984305393735,0.4203190322801727,0.6350661366595847,0.7812949763552876,0.5292174970872455
EOS-3-51287,Fc1c(-c2cnoc2)ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1Cl,QJPLMYAUYARWSQ-UHFFFAOYSA-N,3,1,0.566,35,352,471.279,4.909,5,0.325,0.61,1.0,0.8017784935919402,0.797529298882873,0.9023970255637036,0.9183914741964224,0.8550240730587348
EOS-3-51288,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4nc(Cl)sc4Cl)n23)cc1,CYSUQCTWWOGRBW-UHFFFAOYSA-N,3,1,0.531,15,320,472.361,4.577,5,0.36,0.53,1.0,0.790281680487972,0.7145928997327119,0.29266328558700566,0.3891782605715852,0.5466790315948187
EOS-3-51289,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccn(-c6nccs6)n5)n34)cn2)ncn1,JHBGYBOQDGDRQV-UHFFFAOYSA-N,3,1,0.41,6,579,482.533,3.215,6,0.337,0.65,0.995,0.29666403947638953,0.23866595846754848,0.06335240901925844,0.04812041669522308,0.16170070591460486
EOS-3-51290,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ncn2)n(C)c1Cl,SVSBPBAUODQQSN-UHFFFAOYSA-N,3,1,0.415,31,194,482.335,3.614,5,0.338,0.59,0.996,0.5509989034336235,0.46897916523884586,0.19237029675827566,0.27590638064560347,0.3720636865190871
EOS-3-51291,c1ccc(-c2ncsc2COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,NEWUAPZGXSKSBF-UHFFFAOYSA-N,3,1,0.5,12,427,462.538,5.556,6,0.323,0.76,1.0,0.564294770749092,0.49125316976218214,0.5204149818381194,0.5351586594476047,0.5277803954492495
EOS-3-51292,Cn1nnc(-c2cccc(Cc3cncc4nnc(-c5ccc(F)c(F)c5)n34)c2)n1,ZOSORDLPWPQRTN-UHFFFAOYSA-N,3,1,0.411,61,784,404.384,2.851,5,0.458,0.75,1.0,0.39451545473236926,0.43395757658830786,0.5573469947227743,0.6169556575971489,0.5006939209101501
EOS-3-51293,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)ncn2)cc1F,ABXXRCZTJCJGMV-UHFFFAOYSA-N,3,1,0.511,88,570,482.853,4.941,5,0.341,0.66,0.974,0.9279264615173737,0.9142707833596052,0.9439551778493592,0.9579106983757111,0.9360157802755122
EOS-3-51294,Cn1nncc1-c1cncc(-c2cncc3nnc(-c4ccc(Cl)nc4-c4ccc(F)cc4)n23)c1,VIQBYVMYRRSRRX-UHFFFAOYSA-N,3,1,0.337,42,693,483.898,4.503,6,0.34,0.65,1.0,0.21813103968199576,0.39205674730998563,0.6530481118497704,0.7385031868960318,0.5004347714344459
EOS-3-51295,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nccnc6Cl)s5)n34)cn2)nn1,GCVGSKZLENXGFU-UHFFFAOYSA-N,3,1,0.349,76,368,483.948,4.791,6,0.352,0.67,0.522,0.21527825371804538,0.35891131519429786,0.2743472003289699,0.3311887464875608,0.29493137893221855
EOS-3-51296,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cn1,GOCISOUUDJOGHV-UHFFFAOYSA-N,3,1,0.538,63,66,401.43,2.095,5,0.505,0.91,1.0,0.35329141251456375,0.18135323144404084,0.038928106366938525,0.05333767390857378,0.15672760605852923
EOS-3-51297,Cc1nc(-c2ccc(F)cc2F)c(-c2nnc3cncc(-c4cncnc4)n23)s1,GJNDOLFLWKRVAV-UHFFFAOYSA-N,3,1,0.351,82,575,407.409,3.958,5,0.45,0.66,1.0,0.1544616544445206,0.3393615927626619,0.4993746144883833,0.6046449866355973,0.39946071208279077
EOS-3-51298,COc1cncnc1COc1cncc2nnc(-c3ccc(Cl)nc3-c3ccc(Cl)nc3)n12,BPZQJOIZFIGTHQ-UHFFFAOYSA-N,3,1,0.392,55,354,481.303,3.933,5,0.333,0.63,0.687,0.6985042149270098,0.7377578644369817,0.4685336851483791,0.48277191419368104,0.596891919676513
EOS-3-51299,CCn1nc(-c2nc(C)ccc2F)nc1-c1cncc2nnc(-c3ccsc3)n12,IDTCVEHFCPLDIR-UHFFFAOYSA-N,3,1,0.302,50,974,406.45,3.641,5,0.453,0.71,0.692,0.07338427797957645,0.16451065725447195,0.027654033308203686,0.05769823864025769,0.08081180179562744
EOS-3-51300,Cc1cnc(-c2cccc(-c3nnc4cncc(Oc5c(F)c(F)cc(F)c5F)n34)c2)n1C,JKTFCKBIWIBCTD-UHFFFAOYSA-N,3,1,0.453,13,145,454.387,4.849,5,0.287,0.63,1.0,0.6237406620519498,0.6855081899801247,0.9320557192790077,0.8978479884860531,0.7847881399492838
EOS-3-51301,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)cc4)n23)nc1,MHGOTYUQZDVFMB-UHFFFAOYSA-N,3,1,0.409,83,358,465.866,6.116,5,0.321,0.83,1.0,0.467377150298129,0.709949626482078,0.9937718456582825,0.9939346172297991,0.7912583099170722
EOS-3-51302,CCn1c(C)nc(-c2cccnn2)c1-c1cncc2nnc(-c3ccc(C#N)cn3)n12,NIWXOSLQGVYCRB-UHFFFAOYSA-N,3,1,0.283,33,432,408.429,2.707,5,0.445,0.62,0.001,0.07953532999794394,0.05643890069220753,0.05746693167020766,0.08692858611472826,0.07009243711877185
EOS-3-51303,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)cc3Cl)n12,WLEUSHBOCYPQOR-UHFFFAOYSA-N,3,1,0.553,35,265,482.306,4.711,5,0.346,0.6,1.0,0.947262010828593,0.9481358371598931,0.8158368172160921,0.8566410801178809,0.8919689363306148
EOS-3-51304,c1coc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nc2)n1,RQXYWFSCEUKCMX-UHFFFAOYSA-N,3,1,0.284,70,392,408.385,2.688,6,0.467,0.58,1.0,0.1878298266054417,0.1855938592282914,0.1537420327599205,0.1506750736755534,0.16946019806730175
EOS-3-51305,Fc1ccc(Cl)c(-c2nnc3cncc(-c4nc(-c5ccc(Cl)cc5)cs4)n23)c1,NPSJJTLNXUHXDL-UHFFFAOYSA-N,3,1,0.391,45,533,442.306,6.028,5,0.343,0.77,1.0,0.317336029059009,0.6367966554725516,0.9076913851004044,0.9650726475224454,0.7067241792886025
EOS-3-51306,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4csc(-c5cscn5)c4)n23)cc1,MSCLGCHVWAZTOX-UHFFFAOYSA-N,3,1,0.506,40,2,471.571,4.956,6,0.342,0.61,1.0,0.6069837571105476,0.38279590158316773,0.4036649304365705,0.3311973134123775,0.43116047563566584
EOS-3-51307,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5ccc(F)cc5)n34)cn2)cc1,UREOVVUFBHSZRQ-UHFFFAOYSA-N,3,1,0.375,69,484,462.463,5.861,6,0.328,0.71,0.997,0.28287985744637106,0.5416009869097389,0.9153587828113221,0.9369902679734082,0.6692074737852101
EOS-3-51308,Fc1cccnc1CCOc1cncc2nnc(-c3cc(Cl)cc(-c4ccc(Cl)cn4)c3)n12,UTOGUSWSJIBVDC-UHFFFAOYSA-N,3,1,0.495,88,141,481.318,5.316,5,0.327,0.73,1.0,0.8715389623740663,0.8788208484682338,0.85024158727983,0.9015146323075869,0.8755290076074292
EOS-3-51309,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)c(Cl)c4)n23)cn1,RSOCPWOWEVJHKT-UHFFFAOYSA-N,3,1,0.276,10,543,484.886,3.898,6,0.37,0.56,0.993,0.1906826125693921,0.2743986018778699,0.4891714070317319,0.5866972791446782,0.385237475155918
EOS-3-51310,COc1ncc(-c2cc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2Cl)cn1,BKUPEPGAXAFAJV-UHFFFAOYSA-N,3,1,0.376,85,81,479.878,4.834,5,0.344,0.62,1.0,0.5405900897813721,0.6134003837982318,0.8748629292029333,0.8169162497429923,0.7114424131313823
EOS-3-51311,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc(Cl)n2)cn1,PNTYQXIRBVCBIC-UHFFFAOYSA-N,3,1,0.512,75,578,483.294,4.106,5,0.333,0.59,1.0,0.8580117880885477,0.8990987595092865,0.672272291138373,0.7276745939277637,0.7892643581659927
EOS-3-51312,Clc1ccc(-c2nnc3cncc(OCc4nnc(-c5cnccc5Cl)cc4Cl)n23)cc1,PAMMJNGZUNEMDI-UHFFFAOYSA-N,3,1,0.549,34,929,484.734,5.183,5,0.339,0.76,1.0,0.819940374203276,0.9273610444794737,0.8037146186005072,0.905121307655404,0.8640343362346652
EOS-3-51313,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cncc(-c5cc(F)cc(Cl)c5)c4)n23)n1,LEJCYSLWHGOJJH-UHFFFAOYSA-N,3,1,0.512,87,884,484.322,4.654,5,0.349,0.71,1.0,0.5073846891919677,0.5944760468782126,0.722585840586663,0.8226303885957097,0.6617692413131382
EOS-3-51314,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3cnnc(-c4cncs4)n3)n12,LLRZYJAHCWEYIM-UHFFFAOYSA-N,3,1,0.338,50,844,406.862,3.729,5,0.45,0.68,1.0,0.20729387978891098,0.4112295250496882,0.25961208964430127,0.39827633472688645,0.3191029573024467
EOS-3-51315,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccccc6C)n5CCO)n34)cc2)n1,MSVXFCKLPWGVMT-UHFFFAOYSA-N,3,1,0.32,8,474,489.543,3.783,6,0.375,0.7,1.0,0.07529470221369337,0.08883901034884518,0.09948769789596326,0.13190494140223424,0.09888158796518402
EOS-3-51316,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6cccc(Cl)n6)c5)n34)nc2)ccc1F,BDPMQIHSKLFIFT-UHFFFAOYSA-N,3,1,0.277,10,664,483.898,4.597,6,0.338,0.65,0.506,0.013981221300801865,0.16851997806867247,0.5835874854362278,0.6201596874785826,0.3465620930710712
EOS-3-51318,N#Cc1ccccc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)c(F)c4)n23)ccn1,WRSSWYGLINJXEG-UHFFFAOYSA-N,3,1,0.58,59,11,474.858,5.236,5,0.324,0.67,1.0,0.9712236995408128,0.9492238366116099,0.9758669727914467,0.9755157288739634,0.9679575594544583
EOS-3-51319,Fc1cnc(-c2cnnc(-c3cncc4nnc(-c5c(F)cccc5F)n34)c2)nc1,IHZUCFSVRITWIW-UHFFFAOYSA-N,3,1,0.338,22,575,406.331,3.123,5,0.454,0.65,1.0,0.33475258721129464,0.4558460694948941,0.6695394421218559,0.7591666095538345,0.5548261770954698
EOS-3-51320,CCn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(Cl)cc5-c5cccnc5)n34)c2)nn1,YMNJNSJJNHANAN-UHFFFAOYSA-N,3,1,0.304,42,693,479.935,4.847,6,0.348,0.61,1.0,0.1079946542389144,0.27440716880268656,0.4613888698512782,0.5514615173737235,0.3488130525666506
EOS-3-51321,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)nc5F)ncn4)n23)cc1,VEXWVKDNPUYAQX-UHFFFAOYSA-N,3,1,0.442,89,463,489.446,2.645,5,0.366,0.61,1.0,0.5753204029881434,0.3920653142348023,0.2596206565691179,0.16905969433212253,0.3490165170310465
EOS-3-51322,Cc1ccc(-c2nnc3cncc(-c4cc(F)ncc4OCc4ccc(Cl)c(F)c4)n23)cc1,PUPKZHIPOGWYJN-UHFFFAOYSA-N,3,1,0.461,96,3,463.875,5.672,5,0.314,0.71,0.991,0.8326365567815777,0.8704766636967994,0.9715835103831129,0.9670516071550956,0.9104370845041464
EOS-3-51323,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)nc(Cl)n5)n34)c(F)c2)s1,LRDOTWLNLLDQPA-UHFFFAOYSA-N,3,1,0.467,4,554,472.868,3.919,5,0.28,0.68,1.0,0.6498183811938867,0.7809951339867042,0.42877458707422383,0.46145740524981155,0.5802613768761565
EOS-3-51324,Cc1cccc(CCc2nc(C)c(C)nc2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)n1,VHSFTWFACDLSAH-UHFFFAOYSA-N,3,1,0.327,52,886,471.515,5.291,5,0.335,0.66,1.0,0.3966143513124529,0.37798985676101704,0.42541635254609006,0.40753718045370435,0.4018894352683161
EOS-3-51325,Fc1ccc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)cc2F)cn1,APBCCGPQQVXHGD-UHFFFAOYSA-N,3,1,0.371,14,358,450.399,5.055,5,0.277,0.64,1.0,0.4998457953533,0.7053834555547941,0.977511822356247,0.9738366116098965,0.7891444212185593
EOS-3-51326,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5nccc(F)c5F)n4)n23)cc1F,KCFHXNJQGWVUBL-UHFFFAOYSA-N,3,1,0.426,73,788,492.421,2.999,5,0.384,0.73,1.0,0.5559077513535742,0.5007024878349667,0.6115841957370982,0.5419179631279556,0.5525280995133988
EOS-3-51327,Fc1cnc(-n2ncnc2COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4F)n23)nc1,YPUYRXUKNSWYKP-UHFFFAOYSA-N,3,1,0.414,73,247,484.43,3.081,6,0.351,0.58,1.0,0.4073572750325543,0.4063720786786375,0.23821191145226508,0.3094972928517579,0.3403596395038037
EOS-3-51328,Cc1ccc(-c2nnc3cncc(-c4ccccc4OCCc4ccc(Br)cc4)n23)nn1,IIBIIIKUFYVAFR-UHFFFAOYSA-N,3,1,0.404,19,586,487.361,4.941,5,0.338,0.8,1.0,0.3717103008703996,0.3967428551847029,0.5963436364882462,0.5836560208347612,0.48711320334452746
EOS-3-51329,CCn1cncc1-c1cncc(-c2nnc3cncc(NCc4cc(F)cc(C(F)(F)F)c4)n23)c1,ZVUKVSWHVLUDFS-UHFFFAOYSA-N,3,1,0.382,27,328,482.445,4.84,5,0.349,0.72,0.913,0.04840312521417312,0.10801178808854774,0.9649098759509287,0.9084709752587211,0.5074489411280927
EOS-3-51330,Clc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)s2)nc1,RDULNXLVBPMROI-UHFFFAOYSA-N,3,1,0.329,32,945,467.945,5.692,6,0.331,0.72,1.0,0.2015626070865602,0.3635460215201151,0.517279487355219,0.6255482831882667,0.42698409978754026
EOS-3-51331,Cn1nc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)c2)nc1C1CC1,DZWWNQSHAOYYIN-UHFFFAOYSA-N,3,1,0.473,36,931,464.942,4.153,6,0.372,0.48,1.0,0.4209015831677061,0.5052772256870673,0.018718730724419163,0.07256185319717634,0.2543648481940922
EOS-3-51332,CCc1nc(Cl)ncc1COc1cncc2nnc(-c3ccc(-c4ccnn4C)nc3F)n12,JYBSSZQHCUOPJO-UHFFFAOYSA-N,3,1,0.427,92,24,465.88,3.311,5,0.277,0.59,0.999,0.4322955931738743,0.4646271674319786,0.20266774038791036,0.19378383935302584,0.3233435850866973
EOS-3-51333,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc(Cl)n2)n(C)n1,NYGNCFLAMGOESM-UHFFFAOYSA-N,3,1,0.446,7,185,468.308,3.571,5,0.285,0.59,0.999,0.4185285449934891,0.6036683572064971,0.27809094647385374,0.3095058597765746,0.40244842711260365
EOS-3-51334,Cc1nc(C)c(-c2nnc3cncc(-c4nn(C)cc4-c4ncc(Cl)cn4)n23)o1,NJUZFHAVIUFKGY-UHFFFAOYSA-N,3,1,0.291,50,489,407.825,2.907,5,0.448,0.65,1.0,0.13532314440408472,0.1645192241792886,0.026523199232403535,0.03573264341032143,0.09052455280652458
EOS-3-51335,Cc1nc(C)c(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(C)c5F)n34)ncn2)s1,OLHRZPQWTMWAGY-UHFFFAOYSA-N,3,1,0.388,31,395,466.477,3.882,5,0.36,0.47,0.89,0.5643033376739086,0.43830100747035844,0.2819374957165376,0.22538722500171338,0.37748226646562943
EOS-3-51336,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cnc2Cl)s1,SILYYVMFHDRHCA-UHFFFAOYSA-N,3,1,0.396,51,875,472.321,3.689,5,0.279,0.67,1.0,0.47488177643753,0.6613066273730381,0.11842916866561579,0.20529778630662737,0.36497883969570283
EOS-3-51337,COC1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccnc5)n34)cc2)CC1,AKQYWMDPXOELNE-UHFFFAOYSA-N,3,1,0.298,52,376,492.543,3.561,6,0.366,0.87,1.0,0.037994311561921734,0.001790487286683572,0.013570008909601809,0.0607309300253581,0.0285214344458913
EOS-3-51338,Cn1nnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)c(Cl)cc2Cl)n1,WBWDLAFZNBLROG-UHFFFAOYSA-N,3,1,0.523,37,404,486.298,3.444,5,0.359,0.63,1.0,0.6266791172640669,0.7725310122678364,0.48917997395654855,0.6255568501130834,0.6284867384003838
EOS-3-51339,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5F)n34)ccn2)cn1,JWGVZZHEYHNQLW-UHFFFAOYSA-N,3,1,0.451,89,707,490.474,3.004,5,0.356,0.7,1.0,0.35096977588924677,0.2082705092180111,0.46854225207319583,0.33762250702487834,0.341351261051333
EOS-3-51340,COc1ccc(Cl)cc1-c1nnc2cncc(OCc3cc(-c4ccnc(Cl)c4)ncn3)n12,HQBOSDMUXGLWPD-UHFFFAOYSA-N,3,1,0.458,4,675,480.315,4.538,5,0.327,0.64,1.0,0.5432115687752724,0.564937290110342,0.7380063052566651,0.7171115756288123,0.640816684942773
EOS-3-51341,COc1nc(-c2nnc3cncc(OCCc4c(C)nn(C)c4Cl)n23)ccc1-c1nccs1,DOJJMFGHMRHTDM-UHFFFAOYSA-N,3,1,0.426,49,501,482.957,3.635,5,0.346,0.59,0.998,0.3556301829895141,0.39207388115961894,0.038936673291755194,0.0357412103351381,0.2055954869440066
EOS-3-51342,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5cccs5)n4)n23)cc1,MDXJTNHLIAZKSV-UHFFFAOYSA-N,3,1,0.364,3,186,467.945,5.692,6,0.331,0.69,1.0,0.22649235830306352,0.4646357343567953,0.6262336371736001,0.7618309231718182,0.5197981632513193
EOS-3-51343,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4Cl)n23)cc1,ODPYQPNTZCCHMY-UHFFFAOYSA-N,3,1,0.366,62,341,473.895,5.561,6,0.338,0.71,1.0,0.3016756904941402,0.3103282845589747,0.7480039065177164,0.8388475772736619,0.5497138647111233
EOS-3-51344,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(Cl)n1,BTXPUTDVSFKXAU-UHFFFAOYSA-N,3,1,0.416,58,602,482.335,3.788,5,0.323,0.59,1.0,0.492212665341649,0.460155232677678,0.13874134740593516,0.2143358919882119,0.32636128435336853
EOS-3-51345,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3ncn(-c4ccccc4Cl)n3)n12,REWIOEAYXSYRLN-UHFFFAOYSA-N,3,1,0.4,27,975,472.818,4.076,5,0.344,0.54,1.0,0.47489034336234665,0.6269532588582003,0.7355732986087314,0.7566307998081009,0.6485119251593449
EOS-3-51346,c1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)cc1,RVGXFZOLGRBLEI-UHFFFAOYSA-N,3,1,0.553,12,285,462.538,5.556,6,0.323,0.72,1.0,0.4344972928517579,0.505285792611884,0.5238503186896032,0.5319117949420876,0.49888629977383325
EOS-3-51347,CCn1cncc1-c1ccc(OC)c(-c2nnc3cncc(COCc4cc(Cl)ccn4)n23)c1,RIBOWLYEJIZEPS-UHFFFAOYSA-N,3,1,0.394,26,448,475.94,4.449,5,0.327,0.6,0.803,0.4049756699335207,0.3343670755945446,0.5543057364128572,0.4677540949900624,0.44035064423274617
EOS-3-51348,CCc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1cccc(C)n1,OOWPITUNSWEEMP-UHFFFAOYSA-N,3,1,0.494,13,573,460.9,5.704,5,0.334,0.71,0.836,0.692361729833459,0.742418271537249,0.7020080871770269,0.7091186347748613,0.711476680830649
EOS-3-51349,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ncon5)cnn4)n23)c(F)n1,MEDSGUYYKSNXPI-UHFFFAOYSA-N,3,1,0.4,53,65,409.316,1.883,5,0.397,0.62,1.0,0.5458501816188062,0.42032759920498936,0.30362894935234047,0.3124957165375917,0.3955756116784319
EOS-3-51350,O=c1[nH]c(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4Cl)n23)ncc1F,ISOPGESGWFBQCV-UHFFFAOYSA-N,3,1,0.288,96,575,408.78,3.594,5,0.489,0.62,0.721,0.367212665341649,0.37799842368583375,0.7070540058940443,0.8327736275786444,0.571259680625043
EOS-3-51351,Cc1cnc(Cl)nc1-c1cc(F)cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,YSGGPUCPKYZZSL-UHFFFAOYSA-N,3,1,0.484,73,212,483.294,4.372,5,0.34,0.66,1.0,0.7168460009594956,0.7424268384620657,0.6350747035844013,0.6689911589335892,0.690834675484888
EOS-3-51352,OCc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1Cl,VZNVPRMVEYHFCV-UHFFFAOYSA-N,3,1,0.506,90,555,403.229,2.959,4,0.547,0.77,1.0,0.7200757316153793,0.8588941813446646,0.7330546227126311,0.7858183126584881,0.7744607120827909
EOS-3-51353,Cc1cnnn1-c1ccc(CCOc2cncc3nnc(-c4ccc(C(=O)NCCF)cn4)n23)nc1,UEJJDQJCQXNQRY-UHFFFAOYSA-N,3,1,0.4,33,53,488.487,1.791,5,0.329,0.65,0.448,0.21813960660681242,0.015086354602152012,0.043271537248989106,0.02158865053800288,0.0745215372489891
EOS-3-51354,CCOc1ccccc1-c1nnc2cncc(Cc3ccc(-c4ccsc4)cc3)n12,CZPTUZFBJNBSOT-UHFFFAOYSA-N,3,1,0.5,14,319,412.518,5.509,5,0.369,0.83,1.0,0.22354533616612982,0.13789322184908506,0.7251473511068467,0.6838376396408745,0.442605887190734
EOS-3-51355,Fc1cc(-c2cnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nc2F)ccn1,RIXIISUUAHMIFN-UHFFFAOYSA-N,3,1,0.554,59,294,453.359,3.779,5,0.227,0.66,1.0,0.8445188815022959,0.7377664313617983,0.8989788225618532,0.8990987595092865,0.8450907237338086
EOS-3-51356,Cc1ccccc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccccc4)n23)c(F)c1,MZPJHUQZLFOPBB-UHFFFAOYSA-N,3,1,0.333,93,220,458.5,6.03,6,0.323,0.78,0.999,0.31734459598382564,0.4017802069769036,0.8562041669522308,0.8756339524364334,0.6127407305873483
EOS-3-51357,Fc1ncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)c(Cl)n1,QFRHMJTYDKVIFI-UHFFFAOYSA-N,3,1,0.542,35,846,448.849,3.452,5,0.287,0.49,1.0,0.9399715578096086,0.9492324035364266,0.5099204989377013,0.5319203618669043,0.7327612055376602
EOS-3-51358,CCn1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(OC)n4)n23)n1,BNMCEKQTLHUDPK-UHFFFAOYSA-N,3,1,0.392,31,896,477.916,3.143,5,0.332,0.53,1.0,0.3418717017339456,0.290024672743472,0.03738605989993832,0.03369371530395449,0.17574403742032757
EOS-3-51359,C#Cc1ncc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)nc5)n4)n23)cn1,SMWOUDDMXODXTM-UHFFFAOYSA-N,3,1,0.304,50,489,412.804,2.13,5,0.324,0.58,0.82,0.15176307312727025,0.29003323966828864,0.18574806387499143,0.26110273456240146,0.22216177780823793
EOS-3-51360,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccon5)cn4)n23)cc1,PVDPCORJILUSQB-UHFFFAOYSA-N,3,1,0.577,24,32,405.805,3.469,5,0.437,0.75,1.0,0.6776266191487903,0.8325937221574944,0.4400743609074087,0.4981067096155164,0.6121003529573025
EOS-3-51361,Cn1nc(-c2nnnn2C)cc1-c1cccc(-c2nnc3cncc(Oc4ncccc4Cl)n23)c1,YQVZIFSFAQUQQK-UHFFFAOYSA-N,3,1,0.402,67,866,485.899,3.223,6,0.361,0.6,1.0,0.3647967925433486,0.4558546364197108,0.11245802206839833,0.15580666164073745,0.2722290281680488
EOS-3-51362,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(-c5cccnc5F)c4)n23)s1,JKHXXOAQFFDQRE-UHFFFAOYSA-N,3,1,0.566,97,31,455.877,5.425,5,0.331,0.66,1.0,0.922709204304023,0.9582276745939278,0.935216914536358,0.9419847851415256,0.9395346446439586
EOS-3-51363,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5nccn5C(F)F)cn4)n23)cn1,VJSMQJUMSZUFHW-UHFFFAOYSA-N,3,1,0.298,50,489,405.372,3.21,5,0.453,0.71,1.0,0.24548523062161606,0.23867452539236517,0.5305496538962374,0.45837331231581113,0.3682706805565074
EOS-3-51364,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4F)n23)c(F)c1,ZCCMSSYLNCHEPG-UHFFFAOYSA-N,3,1,0.322,3,192,484.445,4.733,6,0.36,0.62,1.0,0.2854927695154547,0.4425073675553423,0.8339044616544445,0.8601792200671647,0.6055209546981015
EOS-3-51366,COc1cnsc1COc1cncc2nnc(-c3cc(-c4cc(C#N)cc(Cl)n4)ncn3)n12,USCIRXDIIVVREZ-UHFFFAOYSA-N,3,1,0.35,46,395,477.897,3.212,5,0.335,0.57,0.343,0.514752244534302,0.46464430128161194,0.28907374408882186,0.28490165170310466,0.3883429854019601
EOS-3-51367,O=Cc1cn(Cc2cncc3nnc(-c4ccc(-c5ncc(F)cc5F)c(C(F)F)c4)n23)nn1,OCXMIBORVHFXSK-UHFFFAOYSA-N,3,1,0.33,85,81,468.374,3.521,5,0.277,0.56,1.0,0.24549379754643275,0.33437564251936125,0.7712288396957029,0.7741330272085533,0.5313078267425125
EOS-3-51368,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,BAGIKGPYFFDEMY-UHFFFAOYSA-N,3,1,0.426,18,157,482.306,4.711,5,0.324,0.67,1.0,0.8226389555205263,0.7975378658076897,0.8420344733054622,0.8784096360770338,0.835155232677678
EOS-3-51369,CC(C)n1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)cc1Cl,KGIOSPSBMNZFEA-UHFFFAOYSA-N,3,1,0.472,13,374,466.332,5.73,5,0.329,0.78,1.0,0.40498423685833734,0.6134089507230485,0.6588564868754712,0.70071448152971,0.5944910389966418
EOS-3-51370,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCCOc5ccccc5)n34)c(Cl)c2)s1,ANXIXKQPGPOMSJ-UHFFFAOYSA-N,3,1,0.523,91,309,478.965,5.12,5,0.286,0.79,1.0,0.57532896991296,0.7377749982866151,0.33315057227057776,0.3891868274964019,0.5088603419916387
EOS-3-51371,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)cn2)sn1,GZPPZSWJGHGISS-UHFFFAOYSA-N,3,1,0.451,55,879,453.89,4.385,5,0.364,0.52,1.0,0.6653159481872387,0.7377835652114317,0.5963522034130628,0.5957696525255294,0.6488053423343156
EOS-3-51372,c1cc(-n2cc(-c3ccc(-c4cncc5nnc(-c6ccc(-c7ncon7)cn6)n45)nn3)nn2)ccn1,OLFGXDYCHMAPOT-UHFFFAOYSA-N,3,1,0.248,86,944,487.447,2.336,7,0.348,0.6,1.0,0.0380028784867384,0.010571585223768077,0.08255945445822767,0.09462168460009594,0.05643890069220753
EOS-3-51373,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)c(F)n4)n23)nc1Cl,ZZUNZCVBODXMRL-UHFFFAOYSA-N,3,1,0.357,51,223,442.777,2.272,5,0.321,0.46,0.986,0.538062846960455,0.5554365704886574,0.32562881228154344,0.3982849016517031,0.45435328284558973
EOS-3-51374,COc1nc(-c2nnc3cncc(OCc4sccc4Cl)n23)ccc1-c1ccc(F)cn1,WFWDMEOYTRWKKN-UHFFFAOYSA-N,3,1,0.409,49,501,468.901,4.69,5,0.357,0.54,1.0,0.6865105201836749,0.6755277225687067,0.567515934480159,0.5613049139880748,0.6227147728051539
EOS-3-51375,Fc1cncc(F)c1COc1cncc2nnc(-c3ccnc(-c4cocn4)c3)n12,SJMSGZZEXPPIJW-UHFFFAOYSA-N,3,1,0.519,24,199,407.34,3.094,5,0.438,0.66,1.0,0.7530755260091837,0.5416095538345556,0.6722808580631896,0.6374391748338016,0.6511012781851826
EOS-3-51376,Cc1nnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1C,SCQVWDOHQHYXMQ-UHFFFAOYSA-N,3,1,0.382,63,334,400.446,2.076,5,0.546,0.86,1.0,0.15977314783085464,0.024330066479336578,0.006939209101500925,0.007393256116784319,0.049608919882119115
EOS-3-51377,Cc1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1cncs1,NNCNIAJRQGNNKB-UHFFFAOYSA-N,3,1,0.398,13,724,456.865,5.342,5,0.363,0.6,1.0,0.6776351860736071,0.7003889383866767,0.8285415667192104,0.832782194503461,0.7598369714207389
EOS-3-51378,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4c(F)cccc4-c4ccccc4)n23)c(F)c1,YLFFYPYGOQETTI-UHFFFAOYSA-N,3,1,0.461,12,480,481.466,5.324,6,0.331,0.76,1.0,0.5983825645946131,0.6708930162428894,0.8018812966897403,0.8226389555205263,0.7234489582619422
EOS-3-51379,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)cc5)ccn4)n23)nc1Cl,HSIXQIGKPFZGBW-UHFFFAOYSA-N,3,1,0.461,11,560,481.318,5.316,5,0.306,0.79,0.99,0.8775957782194503,0.8866510177506682,0.8593139606606812,0.9084795421835378,0.8830100747035845
EOS-3-51380,Fc1ccccc1-c1cccc(-c2nnc3cncc(OCCCc4ccc(Cl)cn4)n23)c1,SPGSGYPQNHESLA-UHFFFAOYSA-N,3,1,0.506,57,660,459.912,5.657,5,0.294,0.74,1.0,0.9266242889452402,0.9290230278939072,0.8158453841409088,0.873038174216983,0.8861327187992598
EOS-3-51381,Clc1ccc(-c2nnc3cncc(OCc4ncn(-c5cccnc5)n4)n23)cc1,XVASAPZHFMJVCY-UHFFFAOYSA-N,3,1,0.549,4,975,404.821,2.999,5,0.444,0.76,1.0,0.5199181001987526,0.6464944143650195,0.32191933383592625,0.4108525803577548,0.4747961071893633
EOS-3-51382,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5ccc(C)nc5)cn4)n23)cc1,FWGITNWVMFFAGW-UHFFFAOYSA-N,3,1,0.44,14,886,406.493,4.65,5,0.425,0.83,1.0,0.22076108560071278,0.22861695565759715,0.5439997258584058,0.47970495510931394,0.3682706805565074
EOS-3-51383,O=C(NCc1ccncn1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)nc1,PYGACJPKGDHTAX-UHFFFAOYSA-N,3,1,0.337,85,60,492.425,2.306,5,0.379,0.69,0.999,0.24826091426221644,0.2286255225824138,0.5065622644095675,0.3095144267013913,0.3232407819888973
EOS-3-51384,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)cn4)n23)nc1,VQPFBUSVQCKUQV-UHFFFAOYSA-N,3,1,0.372,51,924,405.809,2.599,5,0.473,0.67,1.0,0.5330254951682544,0.560551024604208,0.25962922349393464,0.29666403947638953,0.41246744568569665
EOS-3-51385,Fc1ccc(COc2cncc3nnc(-c4cc(-c5csc(Cl)c5)ncn4)n23)cc1Cl,NXRJMHWOVWGFSB-UHFFFAOYSA-N,3,1,0.554,44,488,473.32,5.335,5,0.343,0.67,0.99,0.8376396408745117,0.772539579192653,0.8989873894866699,0.9268298951408402,0.8589991261736687
EOS-3-51386,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cnc2Cl)n(C)n1,HWFMLXGUADBWQJ-UHFFFAOYSA-N,3,1,0.44,87,954,482.335,3.614,5,0.338,0.59,1.0,0.5073932561167843,0.5897642382290453,0.14752244534301967,0.22877116030429717,0.3683627749982867
EOS-3-51387,FCc1cc(-c2nnc3cncc(OCc4cccnc4-c4ccsc4)n23)ccc1Cl,GSPIEQIOVQPNPU-UHFFFAOYSA-N,3,1,0.529,97,91,451.914,5.617,5,0.335,0.65,0.997,0.9173548762936057,0.8968713590569529,0.8502501542046467,0.8549448290041807,0.8798553046398465
EOS-3-51388,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)n2C)n(-c2ncc(F)cn2)n1,YLHIYZMTTDZCBA-UHFFFAOYSA-N,3,1,0.267,86,794,487.89,3.33,6,0.371,0.6,0.708,0.010845726817901446,0.14523507641696937,0.09014974984579535,0.17190391337125627,0.1045336166129806
EOS-3-51389,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)c1,FHEUDQSUWJCZNG-UHFFFAOYSA-N,3,1,0.469,26,141,481.894,4.623,5,0.337,0.61,1.0,0.6237492289767665,0.5848125556850113,0.7330631896374478,0.7489805359468166,0.6726513775615105
EOS-3-51390,Cc1cnc(-c2nnc3cncc(-c4cc(-c5cnccn5)ccc4F)n23)c(-c2cc(F)ccn2)c1,FREUCVHZOCAIGI-UHFFFAOYSA-N,3,1,0.273,64,72,478.466,4.959,6,0.353,0.57,1.0,0.26941265163456923,0.3589198821191145,0.7549945171681174,0.7813035432801042,0.5411576485504763
EOS-3-51391,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5cccc(-c6cscn6)c5)n34)n2)nn1,VOMZHALQVNPZDL-UHFFFAOYSA-N,3,1,0.495,81,218,483.492,3.88,6,0.348,0.56,1.0,0.45793639915016104,0.48662703036118155,0.2702607771914194,0.2759149475704201,0.3726847885682955
EOS-3-51392,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)nnc2Cl)nc1,MYALLOSGTARXNJ-UHFFFAOYSA-N,3,1,0.554,59,294,486.269,4.807,5,0.352,0.69,1.0,0.9086765814543212,0.8991073264341032,0.8967599890343362,0.9352340483859913,0.9099444863271879
EOS-3-51393,Cc1nn(C)c(C)c1-c1ncccc1-c1cncc2nnc(-c3ccc(C#N)cc3)n12,GWPRXPAZEPXXIW-UHFFFAOYSA-N,3,1,0.421,61,124,406.453,3.742,5,0.453,0.69,0.998,0.14340175450620246,0.13790178877390172,0.31831265848810913,0.3245922143787266,0.23105210403673498
EOS-3-51394,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)cc4OCC4CCCCO4)n23)cn1,DMOIIFLTBIUPMW-UHFFFAOYSA-N,3,1,0.301,52,985,486.511,3.736,6,0.358,0.67,0.995,0.34415050373517925,0.29004180659310536,0.10712082790761428,0.23748372284284833,0.2446992152696868
EOS-3-51396,Cc1c(CO)ncc(Cl)c1-c1cc(COc2cncc3nnc(-c4ccc(F)cn4)n23)n(C)n1,PSZWQRGSCUFFIF-UHFFFAOYSA-N,3,1,0.39,46,128,480.891,3.154,5,0.394,0.52,0.999,0.48236926872729763,0.5007110547597834,0.34384209444177916,0.3567438832156809,0.42091657528613524
EOS-3-51397,Fc1ccc(-c2csnn2)cc1COc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,FXDVFRDZRUYDKF-UHFFFAOYSA-N,3,1,0.456,77,323,481.516,5.09,6,0.327,0.76,1.0,0.5727074909190597,0.5743095058597766,0.7225944075114796,0.7276831608525803,0.6493236412857241
EOS-3-51398,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5ncco5)nc4)n23)nc1,KHGZAKQRGJMAMP-UHFFFAOYSA-N,3,1,0.458,51,196,406.793,2.864,5,0.434,0.65,1.0,0.6012439174833801,0.5944846138030293,0.18252690014392434,0.20222226029744364,0.39511942293194435
EOS-3-51399,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncc4Cl)n23)cc1Cl,AGQPJLWHPPSACT-UHFFFAOYSA-N,3,1,0.573,59,817,484.734,5.183,5,0.339,0.74,1.0,0.9023798917140703,0.9503375368377767,0.9172006716469057,0.9435868000822425,0.9283762250702489
EOS-3-51400,Cc1cscc1-c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccccc4)n23)nc1,BMDYBSPWYSLCRJ-UHFFFAOYSA-N,3,1,0.315,30,174,436.5,5.545,6,0.361,0.63,0.999,0.09333664587759578,0.09504146391611268,0.47872832568021384,0.4981152765403331,0.29130542800356385
EOS-3-51401,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)cc1Cl,KQEBBZPFRITGTA-UHFFFAOYSA-N,3,1,0.511,11,490,482.306,4.711,5,0.324,0.66,1.0,0.9609433897608115,0.947159207730793,0.7330717565622644,0.7994825577410732,0.8601642279487356
EOS-3-51402,Cn1ncc(-c2nc(CCOc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)ccc2F)n1,WVRQQRUOOHOWFO-UHFFFAOYSA-N,3,1,0.5,37,563,484.417,3.819,5,0.324,0.63,0.95,0.787523130697005,0.7853128640943047,0.7780995133986705,0.7464104585018162,0.774336491672949
EOS-3-51403,COc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)c1,CSQUBHPBUYHGGY-UHFFFAOYSA-N,3,1,0.329,76,653,469.555,5.109,6,0.346,0.64,1.0,0.11886608183126585,0.10132101980673018,0.35539030909464736,0.35039579192653003,0.23149330066479337
EOS-3-51404,FC(F)c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc(-c2nncs2)c1,VJCRCQWZWVTADV-UHFFFAOYSA-N,3,1,0.449,27,51,471.88,4.875,5,0.326,0.61,1.0,0.7472328832842163,0.8527516962511137,0.8883729696388184,0.8714275923514495,0.8399462853813995
EOS-3-51405,OCc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c2)cc1F,WFEBXWQACYBPCD-UHFFFAOYSA-N,3,1,0.406,59,153,480.862,4.251,5,0.363,0.58,1.0,0.7410475635665822,0.6755362894935234,0.9392862038242752,0.9310448221506408,0.8217287197587554
EOS-3-51406,c1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C6CC6)nc5)n34)nc2)cn1,RVKXCYBWTZVAKT-UHFFFAOYSA-N,3,1,0.367,85,290,406.453,3.507,6,0.441,0.73,1.0,0.1490302241107532,0.14915016105818654,0.15671475567130422,0.23438249605921457,0.17231940922486463
EOS-3-51407,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc(Cl)c2Cl)s1,IRQLMWYKPNGNII-UHFFFAOYSA-N,3,1,0.581,37,619,484.372,4.942,5,0.337,0.75,1.0,0.7441402234253992,0.82525186758961,0.4822750325543143,0.5771965595229936,0.6572159207730792
EOS-3-51408,Fc1cc(F)c(-c2cccc(-c3nnc4cncc(Cc5ccc(Cl)nc5)n34)c2)cc1F,VUFOBCBGKLUKTC-UHFFFAOYSA-N,3,1,0.367,57,358,451.839,5.515,5,0.267,0.76,1.0,0.4624854362278117,0.6755448564183401,0.9839370159687478,0.9895483517236653,0.7778789150846412
EOS-3-51409,c1cc(-c2ccc(-c3nnc4cncc(OCc5scnc5-c5cscn5)n34)cc2)ccn1,GTWYUNZDSBFUTD-UHFFFAOYSA-N,3,1,0.488,41,78,469.555,5.012,6,0.338,0.63,1.0,0.5380714138852717,0.537009115208005,0.34007264752244537,0.36344321842231514,0.44464909875950925
EOS-3-51410,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncnnc4-c4ccsc4)n23)c(F)c1,PIJHFQMEBHRTKA-UHFFFAOYSA-N,3,1,0.423,71,843,485.508,3.823,6,0.35,0.62,0.999,0.5928568980878623,0.5695462956617092,0.3781354944829004,0.3763621410458502,0.47922520731958057
EOS-3-51411,Fc1cccc(Cl)c1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)cnn1,HZTQPZDHVNQETE-UHFFFAOYSA-N,3,1,0.444,3,611,485.87,4.618,6,0.375,0.63,1.0,0.7704235487629361,0.7975464327325064,0.7303389075457474,0.7618394900966349,0.7650370947844561
EOS-3-51412,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccc(C(F)F)nn5)ccn4)n23)c1F,NSANUXTYWGFQRU-UHFFFAOYSA-N,3,1,0.423,18,88,482.401,3.876,5,0.322,0.58,0.856,0.6409773147830855,0.6182064286203824,0.7804125830991707,0.7360787471729148,0.6939187684188883
EOS-3-51413,Cc1cc(-c2cncn2C(C)C)ccc1-c1cncc2nnc(-c3cnc(C(C)F)c(F)c3)n12,ZYRVUUZCGRVIJE-UHFFFAOYSA-N,3,1,0.308,82,336,459.504,5.776,5,0.333,0.7,0.997,0.21262250702487834,0.290050373517922,0.8593225275854979,0.7091272016996779,0.517780652456994
EOS-3-51414,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ccn2)nn1,ZAVKBVBBMDEZGH-UHFFFAOYSA-N,3,1,0.482,55,486,406.406,2.818,5,0.439,0.69,1.0,0.5839729970529779,0.49126173668699885,0.2743557672537866,0.2699009663491193,0.40487286683572066
EOS-3-51415,Cc1cc(-c2nnc3cncc(OCc4cncc(C(=O)Nc5ccc(F)cc5)c4)n23)ccc1Cl,UGKYCBFEZZEEDG-UHFFFAOYSA-N,3,1,0.534,57,798,488.91,5.119,5,0.356,0.87,1.0,0.735016448495648,0.6134175176478651,0.8502587211294633,0.807946679459941,0.7516598416832294
EOS-3-51416,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cncc(F)c5)c4)n23)n1,MEHQJYADKPOQIZ-UHFFFAOYSA-N,3,1,0.447,37,563,485.31,4.049,5,0.335,0.67,1.0,0.5701374134740593,0.6368052223973683,0.5305582208210541,0.6461688712219862,0.5959174319786169
EOS-3-51417,Fc1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)ncc1-c1ccc(Cl)nn1,SIEIDHSNGPWYAQ-UHFFFAOYSA-N,3,1,0.34,85,362,487.808,3.835,5,0.352,0.63,0.915,0.4256647933657734,0.47337399766979643,0.8872421355630183,0.8481512576245631,0.6586080460557878
EOS-3-51418,O=C(NOC(F)F)c1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)nc1,KWYSVVWJDNZGJJ-UHFFFAOYSA-N,3,1,0.423,68,457,492.24,2.807,4,0.392,0.71,0.887,0.5281337810979371,0.4247824001096566,0.6641251456377218,0.5151720238503187,0.5330533376739086
EOS-3-51419,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)nc2C)s1,ZDWUXZRZXKTHAS-UHFFFAOYSA-N,3,1,0.435,59,445,468.464,4.923,5,0.341,0.58,1.0,0.6409858817079022,0.6660527037214722,0.8211483106024261,0.7591751764786512,0.7218405181276129
EOS-3-51420,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(C(F)(F)F)cn5)n4)n23)cc1,RTDKCBFTAINQJB-UHFFFAOYSA-N,3,1,0.3,8,890,490.413,2.643,6,0.366,0.65,1.0,0.043931190459872524,0.21815674045644576,0.509929065862518,0.4583818792406278,0.307599719004866
EOS-3-51421,CCn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cnc(Cl)c(Cl)c4)n23)c1,OQCQXIZNRSXUAY-UHFFFAOYSA-N,3,1,0.451,65,905,481.347,4.393,5,0.318,0.64,0.999,0.507401823041601,0.49613631690768284,0.5773164964704269,0.5957782194503461,0.5441582139675142
EOS-3-51422,Fc1ccc(-c2cncnc2)c(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)c4)n23)c1,KINJOCNQEAALHU-UHFFFAOYSA-N,3,1,0.33,41,696,463.451,5.256,6,0.332,0.58,1.0,0.3043914056610239,0.4601637996024947,0.922015283393873,0.9310533890754574,0.6544059694332123
EOS-3-51423,Cc1c(Cl)ccc(-c2ncc(Cl)nc2-c2nnc3cncc(Cl)n23)c1F,DWAHJZRDWULDOE-UHFFFAOYSA-N,3,1,0.449,90,861,409.639,4.656,4,0.482,0.59,0.989,0.2882941539305051,0.4158556644506888,0.8321996436159276,0.9343687889795079,0.6176795627441574
EOS-3-51424,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccco5)nc4Cl)n23)n1,PFMMTFCQIVFADW-UHFFFAOYSA-N,3,1,0.5,58,28,454.277,4.165,5,0.278,0.59,1.0,0.7321722294565143,0.7237595092865465,0.39271640052086904,0.47387087930916316,0.5806297546432733
EOS-3-51425,Cn1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5-n5cccn5)n34)c(F)c2)n1,VANQAEVKQCRVEG-UHFFFAOYSA-N,3,1,0.473,43,258,486.446,3.025,6,0.353,0.62,1.0,0.37416044136796656,0.4513227331916935,0.46139743677609485,0.47082962099924613,0.4394275580837503
EOS-3-51426,Fc1c(Cl)cccc1CCOc1ncccc1-c1cncc2nnc(-c3ccc(Cl)cn3)n12,NIVWBZGWNVEQGE-UHFFFAOYSA-N,3,1,0.394,45,692,481.318,5.316,5,0.327,0.73,1.0,0.6069923240353643,0.7638527174285519,0.8636830923171819,0.8965543828387362,0.7827706291549587
EOS-3-51427,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,FOOJCXDPQSEUKD-UHFFFAOYSA-N,3,1,0.489,59,607,468.414,4.81,5,0.264,0.67,1.0,0.7045781646220273,0.6515917346309369,0.9625882393256117,0.9468165307381262,0.8163936673291754
EOS-3-51428,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)nc2F)nc1,OPKMXXRIOVIEJS-UHFFFAOYSA-N,3,1,0.4,73,263,468.374,3.216,5,0.276,0.52,1.0,0.8017870605167569,0.7767373723528203,0.6086885751490645,0.6344064834487012,0.7054048728668357
EOS-3-51429,Fc1cc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)ccc1Cl,WHDQWIVBAQOEJR-UHFFFAOYSA-N,3,1,0.281,39,144,487.861,4.428,6,0.362,0.67,0.986,0.04250908094030567,0.19895826194229319,0.6695480090466726,0.8059591529024741,0.4292436262079364
EOS-3-51430,CCn1nc(C)cc1-c1ccc(-c2cncc3nnc(-c4nc(F)ccc4-c4ccccc4)n23)cn1,KPKRRPVHVLHLCV-UHFFFAOYSA-N,3,1,0.27,30,737,476.519,5.246,6,0.316,0.71,1.0,0.17619594270440683,0.20827907614282776,0.3781440614077171,0.41722637242135563,0.29496136316907684
EOS-3-51432,Clc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,YYERGWMPADAPHS-UHFFFAOYSA-N,3,1,0.342,69,484,456.918,5.89,6,0.329,0.72,1.0,0.312255842642725,0.44713350695634296,0.8248063874991433,0.851715098348297,0.608977708861627
EOS-3-51433,CC#Cc1ncc(COc2cncc3nnc(-c4coc(-c5cccnc5)c4)n23)cn1,NFZLFQZSZVQSIE-UHFFFAOYSA-N,3,1,0.424,55,879,409.409,3.187,5,0.408,0.65,1.0,0.432304160098691,0.25892673565896784,0.41397950791583854,0.2937170173394558,0.3497318552532383
EOS-3-51434,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5cnn(C(F)F)c5)cn4)n23)cn1,NIQNMNPCFYLMTO-UHFFFAOYSA-N,3,1,0.289,50,489,405.372,3.21,5,0.453,0.7,1.0,0.1057072853128641,0.1727691727777397,0.5440082927832225,0.45839044616544444,0.32021879925981767
EOS-3-51435,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)nc4)n23)c(Cl)c1,OGZAYNMWIUMRTI-UHFFFAOYSA-N,3,1,0.326,42,762,469.961,5.636,6,0.334,0.72,1.0,0.28830272085532177,0.3296209992461106,0.6915221712014256,0.727691727777397,0.5092844047700638
EOS-3-51436,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cnc(-c5nnco5)cn4)n23)ccc1Cl,AOCXRXGOJNPYGM-UHFFFAOYSA-N,3,1,0.438,80,212,486.883,3.264,6,0.345,0.63,1.0,0.509723459666918,0.6182149955451991,0.22737475155918033,0.24599924611061613,0.40032811322047845
EOS-3-51437,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc(Cl)n2)c1,YTZAEBZHUUHYEK-UHFFFAOYSA-N,3,1,0.663,88,732,481.318,5.316,5,0.306,0.76,1.0,0.9227177712288397,0.9290315948187239,0.8930933452128024,0.9288688232472072,0.9184278836268933
EOS-3-51438,Cn1cnnc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5nccn5C)s4)n23)c(F)c1,SZAREKIVZTXJPD-UHFFFAOYSA-N,3,1,0.388,7,502,488.512,3.162,6,0.351,0.66,0.998,0.404992803783154,0.45586320334452746,0.11246658899321499,0.10486772668083065,0.2695475807004318
EOS-3-51439,Cn1cc(C#Cc2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5Cl)n34)cn2)nn1,AFIPURJOKFMOQO-UHFFFAOYSA-N,3,1,0.45,92,408,486.883,1.441,5,0.363,0.59,1.0,0.32989514084024396,0.3828044685079844,0.23113563155369748,0.16906826125693922,0.2782258755397162
EOS-3-51440,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCc4ncc(-c5ccsc5)cn4)n23)cc1,CRMBYBLHYPYHLY-UHFFFAOYSA-N,3,1,0.461,80,518,482.504,4.485,6,0.342,0.64,1.0,0.6923702967582757,0.6806421766842574,0.4858217394284148,0.5081642793502844,0.5917496230553081
EOS-3-51441,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)n2)cc1,ZXRZVKAVAURZDL-UHFFFAOYSA-N,3,1,0.32,30,289,406.409,3.694,6,0.44,0.7,1.0,0.07136248372284285,0.04892570762798985,0.27436433417860323,0.30952299362620794,0.17604387978891095
EOS-3-51442,Cc1cnc(C)c(-c2cc(-c3nnc4cncc(COCc5ccc(Cl)cc5F)n34)ccn2)c1,MAPHMKBPYYWJIL-UHFFFAOYSA-N,3,1,0.455,14,358,474.927,5.374,5,0.329,0.7,1.0,0.533034062093071,0.5233534370502364,0.851869302994997,0.8265883078610102,0.6837112774998286
EOS-3-51443,Cc1cc(C)nc(-n2ncc(-c3cncc4nnc(-c5nc(-c6ccc(F)nc6)ccc5F)n34)n2)n1,LZCJJNFCHRWGMF-UHFFFAOYSA-N,3,1,0.253,10,872,483.446,3.181,6,0.348,0.52,1.0,0.01012610513330135,0.1379103556987184,0.12963470632581728,0.16639538071413884,0.11101663696799396
EOS-3-51444,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cn5)n34)cc2)cc1C,HAZFZGNGPLXDDV-UHFFFAOYSA-N,3,1,0.354,93,479,470.536,5.899,6,0.312,0.79,1.0,0.2292166403947639,0.12398053594681653,0.79992803783154,0.7091357686244946,0.4655652456994037
EOS-3-51445,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccccc5)ncn4)n23)cc1,DORIEPYIWPHKRS-UHFFFAOYSA-N,3,1,0.575,1,347,405.421,3.699,5,0.439,0.76,1.0,0.8278904804331437,0.7725481461174697,0.6940151463230758,0.6689997258584058,0.7408633746830238
EOS-3-51446,N#CCc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccns6)ncn5)n34)nc2)n1,WPGXMQUFEGOEPF-UHFFFAOYSA-N,3,1,0.264,70,566,474.513,3.895,6,0.365,0.48,0.65,0.15731444040847098,0.15305667877458706,0.307149955451991,0.3095315605510246,0.2317631587965184
EOS-3-51447,Fc1ccc(F)c(-c2cncc(-c3nnc4cncc(OCCc5nnc(Cl)cc5F)n34)c2)c1,RXCZYIQUGSSUNU-UHFFFAOYSA-N,3,1,0.457,88,884,483.841,4.336,5,0.355,0.61,1.0,0.8121444726201082,0.8675039407854157,0.8372284284833116,0.8895809060379686,0.851614436981701
EOS-3-51448,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1nccs1,YFXHEGVXTMNKDR-UHFFFAOYSA-N,3,1,0.385,46,717,467.917,4.639,5,0.336,0.58,0.965,0.6126978959632651,0.6134260845726818,0.40014392433692003,0.42997395654855736,0.5140604653553561
EOS-3-51449,Fc1cc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)cc1F,NHSQDUKQHRBROL-UHFFFAOYSA-N,3,1,0.617,88,222,469.904,5.468,5,0.309,0.7,1.0,0.9039990405044205,0.9163696799396889,0.9370588033719416,0.9419933520663423,0.9248552189705983
EOS-3-51450,Fc1cc(Cl)cc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ncccn6)n5)n34)cn2)c1,DVEBPURBLZWVMF-UHFFFAOYSA-N,3,1,0.338,32,20,480.894,5.165,6,0.343,0.64,1.0,0.2828884243711877,0.4513313001165102,0.6968936330614762,0.7693526831608526,0.5501165101775067
EOS-3-51451,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cnn(C)c5C(F)F)c4)n23)cc1,GUNTVSHSFPFIIQ-UHFFFAOYSA-N,3,1,0.479,89,398,490.474,3.463,5,0.372,0.71,1.0,0.4579449660749777,0.3051281611952574,0.6207079706668495,0.4040847097525872,0.44696645192241796
EOS-3-51452,Cc1nnc(-c2cccc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)c2)s1,VAPKNBIYXULRFH-UHFFFAOYSA-N,3,1,0.512,13,145,455.33,5.717,5,0.345,0.7,1.0,0.5643119045987253,0.7281971763415804,0.6832122541292578,0.7790675759029538,0.6886972277431294
EOS-3-51453,COc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(OCc3cnc(Cl)c(F)c3)n12,PIOUBZJHVCWHGT-UHFFFAOYSA-N,3,1,0.467,59,89,480.862,4.768,5,0.323,0.65,1.0,0.8648139263929819,0.832602289082311,0.8483996984442465,0.8265968747858269,0.8431031971763415
EOS-3-51454,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3nc(-c4ccccc4)cs3)n12,RYEMLRPHSMAMKS-UHFFFAOYSA-N,3,1,0.5,1,347,453.449,5.571,5,0.336,0.74,1.0,0.7350250154204647,0.8866595846754849,0.9123774929751216,0.9039219381810705,0.8594960078130355
EOS-3-51455,FCCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c(F)c1,ZEWBMZKTFRWTJF-UHFFFAOYSA-N,3,1,0.446,13,145,470.842,5.348,5,0.334,0.63,1.0,0.6956000274141594,0.7638612843533685,0.9272411075320403,0.9386436844630252,0.8313365259406483
EOS-3-51456,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5csnc5-c5ccccc5)n34)nc2)n1C,GZJQHHMCYONIMI-UHFFFAOYSA-N,3,1,0.415,28,363,480.557,4.598,6,0.344,0.6,1.0,0.31226440956754165,0.2235196353916798,0.2418528544993489,0.2081677061202111,0.24645115139469537
EOS-3-51457,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)nc2F)n(C)n1,XSNYOFGFZYWVSA-UHFFFAOYSA-N,3,1,0.457,31,773,482.882,3.843,5,0.339,0.61,0.964,0.5727160578438764,0.5795267630731272,0.5963607703378795,0.5897042697553286,0.5845769652525529
EOS-3-51458,Fc1ccc(-c2cc(F)c(-c3cncc4nnc(-c5cc(F)c(-c6ccccn6)cn5)n34)cn2)nc1,IVMRKPBFVORVHI-UHFFFAOYSA-N,3,1,0.348,32,287,482.429,4.79,6,0.357,0.58,1.0,0.36250085669248167,0.48201802480981426,0.8285501336440272,0.8566496470426975,0.6324296655472552
EOS-3-51459,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5nc(Cl)ccc5Cl)n4)n23)cc1,SZOPPLXASNWVHT-UHFFFAOYSA-N,3,1,0.321,8,890,491.306,2.931,6,0.342,0.76,1.0,0.06016551298745802,0.20346446439586047,0.06959769721060928,0.19106812418614214,0.13107394969501748
EOS-3-51460,FC(F)c1c(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)csc1Cl,WAHUUEPPSZSQCL-UHFFFAOYSA-N,3,1,0.488,72,22,470.892,5.48,5,0.327,0.76,1.0,0.9159499006236721,0.8589027482694812,0.9199335206634227,0.8950980056199027,0.8974710437941197
EOS-3-51461,Cc1ccc(CCOc2ncccc2-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,WWGBKFRSPSIIFS-UHFFFAOYSA-N,3,1,0.363,52,523,491.555,4.07,6,0.349,0.85,1.0,0.1654787197587554,0.03807998081008841,0.18901206223014186,0.1771640052086903,0.14243369200191897
EOS-3-51462,Cc1nnc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)o1,JSAPSIRAYKTBIH-UHFFFAOYSA-N,3,1,0.404,46,915,404.365,2.658,5,0.436,0.77,1.0,0.6154992803783154,0.42479096703447333,0.24894626824754987,0.22877972722911383,0.3795040607223631
EOS-3-51463,Fc1cccc(Oc2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,QNJILNMFQJSFRV-UHFFFAOYSA-N,3,1,0.43,69,695,460.472,5.847,6,0.321,0.73,1.0,0.4748989102871633,0.6465029812898362,0.8265883078610102,0.822647522445343,0.6926594304708381
EOS-3-51464,Fc1cc(-c2ccccn2)cc(-c2nnc3cncc(OCc4cccc(OC(F)(F)F)c4)n23)c1,PHBPTUFWKSUOTE-UHFFFAOYSA-N,3,1,0.511,1,713,481.409,5.47,5,0.3,0.83,1.0,0.9521451579740936,0.9481444040847098,0.9901394695360154,0.9793794119662805,0.9674521108902748
EOS-3-51465,Fc1ccc(F)c(-c2nnc3cncc(-c4cc(-c5cnc(F)c(C(F)(F)F)c5)ncn4)n23)c1,QURSQOZXEMKQMS-UHFFFAOYSA-N,3,1,0.31,45,315,473.34,4.746,5,0.278,0.67,0.843,0.35329997943938046,0.5649458570351586,0.9937804125830991,0.9903793434308821,0.7256013981221301
EOS-3-51466,CC#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nnn(Br)n5)cc4OC)n23)cn1,SIRZLLRGNUMABR-UHFFFAOYSA-N,3,1,0.322,61,336,488.309,3.045,5,0.355,0.65,0.999,0.3441590706599959,0.3635545884449318,0.29991947090672333,0.22261154136111302,0.307561167843191
EOS-3-51467,COc1ncc(-c2nnc3cncc(OCCc4cc(C)ns4)n23)cc1-c1ccc(Cl)cn1,AHABBYHHRXWDLH-UHFFFAOYSA-N,3,1,0.495,65,657,479.953,4.297,5,0.34,0.62,1.0,0.49717291481049963,0.5370176821328216,0.22030703858542938,0.20530635323144403,0.36495099719004864
EOS-3-51468,CC(c1ccccn1)n1nccc1-c1cncc2nnc(-c3nccnc3-c3cccc(F)c3F)n12,CNUXLDSSBVJFSY-UHFFFAOYSA-N,3,1,0.284,39,449,481.47,4.394,6,0.36,0.55,0.639,0.13789322184908506,0.1416027002947022,0.5406928928791721,0.5514700842985402,0.3429147248303749
EOS-3-51469,Cc1cc(-c2cc(Cl)cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)on1,QLOOVWMIFKFHLH-UHFFFAOYSA-N,3,1,0.488,13,145,456.264,5.993,5,0.331,0.77,1.0,0.7077650606538277,0.7237680762113632,0.9412737303817422,0.9534130628469605,0.8315549825234734
EOS-3-51470,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nc2)n[nH]1,WVZJPXJUBBSZOQ-UHFFFAOYSA-N,3,1,0.319,38,154,408.385,2.688,6,0.467,0.56,1.0,0.20998389418134467,0.16452779110410526,0.202676307312727,0.2053149201562607,0.1956257281886094
EOS-3-51471,CCCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,OKBHTOHFXBBNRI-UHFFFAOYSA-N,3,1,0.375,63,334,401.474,2.881,5,0.514,0.87,1.0,0.11612466588993214,0.01235350558563498,0.027662600233020355,0.03370228222877116,0.04746076348433966
EOS-3-51472,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5nccnc5-c5ncnn5C)n34)c2)n(C)n1,DTANSHUFSCESLN-UHFFFAOYSA-N,3,1,0.41,71,415,479.508,2.665,6,0.354,0.48,1.0,0.20444966074977727,0.1239891028716332,0.04658693715303955,0.03371084915358783,0.10218413748200945
EOS-3-51473,FC(F)c1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)ccn1,INOAOXMHZJNSTL-UHFFFAOYSA-N,3,1,0.299,69,152,478.466,5.31,6,0.331,0.67,0.996,0.2939226235350559,0.3635631553697485,0.842043040230279,0.8059677198272908,0.5763741347405935
EOS-3-51474,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5cccs5)n34)nc2C)s1,WICFHQRHBXTRIT-UHFFFAOYSA-N,3,1,0.541,31,690,448.577,4.918,5,0.367,0.56,0.993,0.4162754437667055,0.32066856281269274,0.07815605510246042,0.05618189294770749,0.2178204886573915
EOS-3-51475,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2)cc1F,MGVXLSUZSXLZGA-UHFFFAOYSA-N,3,1,0.781,57,853,462.887,6.011,5,0.31,0.79,1.0,0.9919727914467823,0.9962819546295661,0.9781971763415804,0.9846909053526146,0.9877857069426359
EOS-3-51476,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)nc5)n34)n2)cc1,XRKNRLZZTRCWCI-UHFFFAOYSA-N,3,1,0.345,3,158,486.326,4.803,6,0.353,0.7,1.0,0.017467959701185663,0.24893770132273318,0.5338821876499212,0.7464190254266329,0.3866767185251182
EOS-3-51478,Fc1cnc(-c2cc(-c3nnc4cncc(COCc5ccc(F)c(F)c5)n34)ccn2)c(Cl)c1,UBOZABGBSLQEJA-UHFFFAOYSA-N,3,1,0.625,59,577,482.853,5.036,5,0.337,0.72,1.0,0.7077736275786444,0.7638698512781852,0.9492838050853266,0.9579192653005277,0.844711637310671
EOS-3-51479,C#Cc1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)cn1,REMYXABDGJUVMD-UHFFFAOYSA-N,3,1,0.5,18,160,405.421,3.204,5,0.415,0.76,1.0,0.4393718730724419,0.31033685148379136,0.5835960523610445,0.5050716194914674,0.4595940991021863
EOS-3-51480,Fc1ccc(-c2ccccc2)c(-c2nnc3cncc(-c4nncc(-c5cccnc5Cl)n4)n23)c1,IULASHOIWKCSFZ-UHFFFAOYSA-N,3,1,0.353,30,774,480.894,5.165,6,0.321,0.68,0.939,0.27452710575011996,0.4471420738811596,0.6859108354465081,0.8148002193132753,0.5555950585977658
EOS-3-51481,Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nnc2cncc(OCc3ccc(F)c(F)c3F)n12,MSCBJTDHKGNKSQ-UHFFFAOYSA-N,3,1,0.477,59,607,472.377,4.466,5,0.279,0.65,1.0,0.5380799808100885,0.5510674388321568,0.9734339661435131,0.9718233842779795,0.7586011925159344
EOS-3-51482,Cc1cc(-c2nncn2C)cnc1-c1nnc2cncc(-c3cn(-c4ccc(Cl)cc4F)nn3)n12,RIRVVYCZYMAXCK-UHFFFAOYSA-N,3,1,0.267,99,872,487.89,3.33,6,0.371,0.59,0.389,0.01563463779041875,0.18136179836885752,0.24186142142416558,0.35675245014049756,0.19890257693098484
EOS-3-51483,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)nnc2Cl)ccn1,ZKWMTBUIOTZPMM-UHFFFAOYSA-N,3,1,0.6,19,384,482.306,4.711,5,0.324,0.65,1.0,0.8580203550133644,0.8921595504077856,0.7951990953327394,0.8699540812829827,0.853833270509218
EOS-3-51484,Cc1nc(C)c(-c2nnc3cncc(-c4ccc(-c5cn(C)nc5C(F)(F)F)cc4F)n23)s1,WWMMBUVINBDTTO-UHFFFAOYSA-N,3,1,0.321,61,336,473.459,5.09,5,0.341,0.63,0.722,0.1459118634774861,0.32962956617092726,0.8304519909533274,0.717120142553629,0.5057783907888425
EOS-3-51485,Clc1cnc(COc2cncc3nnc(-c4cnc(-n5ccnc5)nc4)n23)cn1,AXXBNVJBSSQENZ-UHFFFAOYSA-N,3,1,0.422,7,535,406.797,1.789,5,0.429,0.67,1.0,0.29120690836817215,0.30513672812007403,0.10987937769858132,0.1209821122609828,0.20680128161195258
EOS-3-51486,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)cc1,UNZRHRIXUFSFQO-UHFFFAOYSA-N,3,1,0.33,3,39,406.413,2.824,6,0.478,0.66,1.0,0.010854293742718114,0.019712494003152628,0.23114419847851414,0.272719484613803,0.133607617709547
EOS-3-51487,Fc1cc(F)c(COc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)c(F)c1F,LKYRIDVYAOPNPX-UHFFFAOYSA-N,3,1,0.5,59,607,452.371,4.384,5,0.224,0.69,1.0,0.858028921938181,0.8760194640531834,0.9657065999588788,0.9554177232540607,0.913793177301076
EOS-3-51488,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4nncc(C(F)F)n4)n23)cc1,DUBFKUCOMXSPQO-UHFFFAOYSA-N,3,1,0.333,36,447,407.348,1.771,5,0.438,0.58,0.998,0.16548728668357207,0.18980878623809197,0.14753101226783633,0.17191248029607292,0.1686848913713933
EOS-3-51489,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)c(F)c5F)n34)ncn2)cs1,APFFGJFLZFEJHL-UHFFFAOYSA-N,3,1,0.375,44,971,456.865,5.342,5,0.339,0.64,0.991,0.6589507230484545,0.7146014666575287,0.8905575354670687,0.882710232335001,0.7867049893770132
EOS-3-51490,Cc1ncc2cc(-c3ccc(-c4nnc5cncc(-c6cnn(C7CCOCC7)c6)n45)cn3)cnn12,PWLPTIBDADTPQO-UHFFFAOYSA-N,3,1,0.252,82,974,478.52,3.419,7,0.379,0.56,1.0,0.018256116784319102,0.01509492152696868,0.030960866287437463,0.07830169282434378,0.03565339935576725
EOS-3-51491,c1ccc(-c2cncnc2-c2nnc3cncc(-c4ccc(-c5ccsc5)s4)n23)cc1,HXVCTLPXLIRRMF-UHFFFAOYSA-N,3,1,0.273,32,515,438.541,5.705,6,0.353,0.67,0.783,0.12125625385511617,0.10443081351518059,0.4719347543005963,0.5709598382564595,0.3171454149818381
EOS-3-51492,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(C(C)(O)C4CCCCO4)cc3)n12,NEGVATNUGBXXIH-UHFFFAOYSA-N,3,1,0.34,52,269,481.56,4.03,6,0.404,0.6,0.999,0.12126482077993284,0.11399150161058187,0.2596377904187513,0.34391919676512916,0.2097033273935988
EOS-3-51493,COCC1(F)CN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2)CCO1,QHSSPYOXBJBXAB-UHFFFAOYSA-N,3,1,0.393,0,901,490.495,2.342,5,0.44,0.59,1.0,0.22076965252552944,0.0752861352888767,0.17612740730587348,0.1937924062778425,0.16649390034953054
EOS-3-51494,Fc1cc(COc2cncc3nnc(-c4cc(-c5ncc(Cl)cc5F)ncn4)n23)ncc1Cl,FLMDWLTUVLVUKT-UHFFFAOYSA-N,3,1,0.415,46,726,487.257,4.202,5,0.364,0.64,0.998,0.6012524844081968,0.6563206771297375,0.7911041052703721,0.8517236652731136,0.7251002330203551
EOS-3-51495,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc6c(c5)SCC6=NO)n34)nc2)cn1,WBSZBNZLIRHELJ-UHFFFAOYSA-N,3,1,0.308,82,523,440.492,3.538,6,0.338,0.51,0.999,0.06940922486464259,0.015103488451785347,0.2853985333424714,0.24031080803234872,0.152555513672812
EOS-3-51496,Cc1cc(-c2ccnc(F)c2)ccc1-c1nnc2cncc(Oc3ccc(Cl)cc3F)n12,JFQHOMNZGCAQBC-UHFFFAOYSA-N,3,1,0.471,13,145,449.848,5.886,5,0.32,0.73,1.0,0.8515608937015968,0.919976355287506,0.9681567404564457,0.9696302515249127,0.9273310602426152
EOS-3-51497,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5ccnc(Cl)c5)c4)n23)c1,UOSNXPNGZMICAY-UHFFFAOYSA-N,3,1,0.552,11,919,481.318,5.316,5,0.306,0.75,1.0,0.9253820848468234,0.9335377972722911,0.8979593585086697,0.9268384620656569,0.9209294256733602
EOS-3-51498,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4cncc(-c5ccccc5)c4)n23)c1F,PHJQLWAEFALQHA-UHFFFAOYSA-N,3,1,0.306,69,987,462.463,5.861,6,0.328,0.7,0.999,0.29907134534987323,0.40178877390172024,0.9153673497361388,0.935242615310808,0.6378675210746351
EOS-3-51499,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cncc(Cl)n6)s5)n34)cc2)n(C)n1,UOLDMPQOJRAZCL-UHFFFAOYSA-N,3,1,0.355,98,167,486.952,4.129,6,0.365,0.66,1.0,0.07137105064765951,0.20828764306764444,0.09949626482077993,0.13842437118771847,0.1293948324309506
EOS-3-51500,Cn1nnnc1-c1ccccc1-c1cncc2nnc(-c3ccnc(C(F)F)c3)n12,NZICZVVCGJVFOW-UHFFFAOYSA-N,3,1,0.32,61,917,405.372,2.981,5,0.453,0.7,1.0,0.20999246110616132,0.2082962099924611,0.45083441847714345,0.4644986635597286,0.3334054382838736
EOS-3-51501,Fc1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)cc5)n4)n23)cc1,SELUJSPTTOPJSA-UHFFFAOYSA-N,3,1,0.484,29,704,403.808,4.103,5,0.451,0.84,1.0,0.40736584195737097,0.6855167569049414,0.6885922829141251,0.8169248166678089,0.6495999246110615
EOS-3-51502,CCn1cc(-n2ncc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5Cl)n34)n2)cn1,RHJNTOXBSLAKCW-UHFFFAOYSA-N,3,1,0.272,39,972,487.89,3.505,6,0.362,0.61,0.994,0.0547683503529573,0.15685182646837093,0.17294051127407306,0.2937255842642725,0.16957156808991844
EOS-3-51503,Cc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1cnccc1F,MBFUXKMWMVEOSD-UHFFFAOYSA-N,3,1,0.494,13,145,449.848,5.886,5,0.342,0.68,1.0,0.8923137550544856,0.8921681173326023,0.9727229113837297,0.97470187101638,0.9329766636967994
EOS-3-51504,CCn1cc(-c2cccc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)c2)cn1,NVKILINGXABPJW-UHFFFAOYSA-N,3,1,0.506,13,145,451.317,5.774,5,0.339,0.7,1.0,0.41397950791583854,0.5463470632581728,0.8502672880542801,0.8784182030018505,0.6722530155575355
EOS-3-51505,O=C(c1ccc(-c2cncc3nnc(-c4nccnc4-c4cnn(C5CCC5)c4)n23)nc1)N1CCCC1,TWXRIRWEUZEIAG-UHFFFAOYSA-N,3,1,0.282,63,759,492.547,3.468,7,0.366,0.79,0.902,0.021280241244602836,0.009586388869851277,0.00018847234596669179,0.001482077993283531,0.008134295113426084
EOS-3-51506,c1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cc7ccccc7nn6)n5)n34)cc2)nc1,KLYKVVWWIKWTMJ-UHFFFAOYSA-N,3,1,0.274,93,993,478.519,5.526,7,0.328,0.74,0.999,0.15447022136933727,0.18981735316290865,0.5707799328353095,0.6227211979987664,0.38444717634158043
EOS-3-51507,CCn1cnnc1-c1nc(COc2cncc3nnc(-c4ccc(F)c(-c5cncn5C)c4)n23)no1,SRUWFOSPPSHLTJ-UHFFFAOYSA-N,3,1,0.433,26,911,487.459,2.571,6,0.33,0.66,0.999,0.40088067987115344,0.4820265917346309,0.05180419436639024,0.06073949695017476,0.24886274073058737
EOS-3-51508,Cn1cncc1-c1cc(F)c(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1F,RKIWXOHVGLYGKY-UHFFFAOYSA-N,3,1,0.517,88,70,484.869,4.884,5,0.343,0.67,1.0,0.8959461311767528,0.8921766842574189,0.9557089986978274,0.9573795490370777,0.9253028407922692
EOS-3-51509,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cccc(F)c6)cc5)n34)nc2)n1,CSEUBEVYCAPEDW-UHFFFAOYSA-N,3,1,0.435,41,492,477.503,5.494,6,0.326,0.79,1.0,0.67443972311699,0.6225070248783496,0.704561030772394,0.6633369885545884,0.6662111918305805
EOS-3-51510,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnccn6)nc5F)n34)nn2)n(C)n1,FAVKGDPZNXSSQL-UHFFFAOYSA-N,3,1,0.347,6,502,481.455,3.074,6,0.338,0.56,1.0,0.4073744088821877,0.442515934480159,0.1663525460900555,0.13191350832705093,0.2870390994448633
EOS-3-51511,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)n2)cc1F,JHWOVIYBRZAHLR-UHFFFAOYSA-N,3,1,0.318,3,783,487.861,4.428,6,0.362,0.67,0.999,0.11613323281474881,0.42033616612980607,0.7592522788020012,0.8246179151531766,0.5300848982249332
EOS-3-51512,COc1nc(-c2n[nH]c(C)n2)ccc1-c1nnc2cncc(OCCc3cc(C)cnc3Cl)n12,HHVZQZMERJHKEI-UHFFFAOYSA-N,3,1,0.436,31,180,477.916,3.267,5,0.351,0.52,1.0,0.5281423480227537,0.5463556301829895,0.10712939483243095,0.079972243163594,0.31539990405044205
EOS-3-51513,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5)n34)cn2)n[nH]1,KJPSRBKJWYLBQV-UHFFFAOYSA-N,3,1,0.271,9,727,408.385,2.688,6,0.467,0.56,1.0,0.18485710369405797,0.16062127338770474,0.20987252415872798,0.2169745048317456,0.19308135151805908
EOS-3-51514,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc1-c1cnccn1,OYNOUSVKEKRFCZ-UHFFFAOYSA-N,3,1,0.37,80,584,484.871,2.451,6,0.37,0.53,1.0,0.5899184428757454,0.6085429374271811,0.08523233500102803,0.10699232403536427,0.3476715098348297
EOS-3-51515,Fc1cccnc1-c1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)s1,IKTVIXICLMLANG-UHFFFAOYSA-N,3,1,0.529,28,297,482.504,4.485,6,0.342,0.68,1.0,0.6127064628880817,0.7146100335823453,0.3183212254129258,0.34076656843259545,0.4966010725789871
EOS-3-51516,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cc(C(F)F)c2)n1,GMTCYOUKOVQGNK-UHFFFAOYSA-N,3,1,0.451,16,51,480.866,4.517,5,0.327,0.62,1.0,0.7106692481666781,0.714618600507162,0.8356092796929614,0.7972894249880063,0.764546638338702
EOS-3-51517,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ncnc(-c5ccc(F)nc5)c4F)n23)c(F)c1,XDVGMMWZHKLUNQ-UHFFFAOYSA-N,3,1,0.272,98,219,487.409,2.918,6,0.345,0.58,0.328,0.16805736412857242,0.3589284490439312,0.3927249674456857,0.4918785552737989,0.35289733397299705
EOS-3-51518,NCc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1Cl,XOPQGQDXWDJDJS-UHFFFAOYSA-N,3,1,0.512,90,555,402.245,2.926,4,0.547,0.78,1.0,0.607000890960181,0.594493180727846,0.6321276814474677,0.697878829415393,0.632875145637722
EOS-3-51519,Cc1nc(-c2cc(F)nc(COc3cncc4nnc(-c5ccoc5)n34)c2)cs1,NZCSZBYEELFCGR-UHFFFAOYSA-N,3,1,0.494,4,390,408.418,3.929,5,0.407,0.73,1.0,0.4185371119183058,0.34443321225412926,0.4287831539990405,0.3634517853471318,0.38880131587965183
EOS-3-51520,COc1c(F)cccc1-c1nnc(-c2cncc3nnc(-c4ncccc4-c4cccnc4)n23)s1,ZIZWYWIQMVZMKD-UHFFFAOYSA-N,3,1,0.284,32,572,482.504,4.582,6,0.352,0.64,0.783,0.2828969912960044,0.32963813309574397,0.3107566307998081,0.3471574943458296,0.3176123123843465
EOS-3-51521,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccc5)n34)nc2)nc1,WKHYDIIVWLAHSV-UHFFFAOYSA-N,3,1,0.312,30,20,467.945,5.692,6,0.331,0.71,1.0,0.1597817147556713,0.2952247961071894,0.5338907545747379,0.6572630388595709,0.4115400760742924
EOS-3-51523,Fc1ncccc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc(Cl)n1,JEOLVMWJWNQMTQ-UHFFFAOYSA-N,3,1,0.543,11,141,482.306,4.711,5,0.324,0.65,1.0,0.8943269823864026,0.9199849222123226,0.7504283462408334,0.8079552463847577,0.843173874306079
EOS-3-51524,Clc1ncc(COc2cncc3nnc(-c4cnc(-c5ccon5)cn4)n23)cn1,JSZZCIMFYKGHOV-UHFFFAOYSA-N,3,1,0.407,7,828,407.781,2.259,5,0.4,0.66,1.0,0.512353505585635,0.4425245014049757,0.1567233225961209,0.1744996915907066,0.32152525529435955
EOS-3-51525,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(C(F)F)nn5)c4)n23)ccc1Cl,REDQSWRFXOGCMS-UHFFFAOYSA-N,3,1,0.63,59,294,483.841,4.952,5,0.337,0.69,1.0,0.9241056130491399,0.9236344321842231,0.9398430539373587,0.9268470289904736,0.9286075320402988
EOS-3-51526,Cn1cc(Cl)c(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cccc(F)c5)c4)n23)n1,KYPZMBDYXVZKJU-UHFFFAOYSA-N,3,1,0.527,37,563,484.322,4.654,5,0.326,0.72,1.0,0.6266876841888835,0.7468045370433829,0.644575423206086,0.7668425741895689,0.6962275546569803
EOS-3-51527,CCc1nn(C)cc1-c1cncc2nnc(-c3cnc(-c4ccc(C#N)cn4)cn3)n12,CHZFMQBARLNIAU-UHFFFAOYSA-N,3,1,0.274,50,432,408.429,2.478,5,0.444,0.65,0.968,0.03963916112672195,0.03808854773490508,0.12662771571516687,0.1360941676375848,0.08511239805359468
EOS-3-51528,Cn1cnc(-c2cc(-c3nnc4cncc(Oc5cc(F)ccc5F)n34)ncn2)c1,JLAFZTWTPIWHPA-UHFFFAOYSA-N,3,1,0.422,44,971,406.356,3.052,5,0.453,0.69,0.543,0.5643204715235419,0.5370262490576383,0.6058186553354807,0.5928740319374958,0.5750098519635392
EOS-3-51529,Fc1cc(-c2nnco2)cc(Cl)c1Oc1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,RXRMFVSBLOLVLQ-UHFFFAOYSA-N,3,1,0.407,41,870,486.854,4.883,6,0.336,0.74,1.0,0.7441487903502159,0.7377921321362484,0.727845932424097,0.7224145020903296,0.7330503392502228
EOS-3-51530,Fc1ncccc1-c1ncc(C(F)F)cc1-c1nnc2cncc(-c3ccc(C(F)F)nn3)n12,LVWNYNFVKYVPOU-UHFFFAOYSA-N,3,1,0.303,50,315,470.365,4.72,5,0.271,0.65,0.033,0.2855013364402714,0.45133986704132684,0.939294770749092,0.9216983071756563,0.6494585703515866
EOS-3-51531,c1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)cc1,SCRDMWLEALYVSM-UHFFFAOYSA-N,3,1,0.308,3,158,406.413,2.824,6,0.478,0.66,1.0,0.01747652662600233,0.0717222945651429,0.1446096909053526,0.21434445891302858,0.11203824275238161
EOS-3-51532,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)s5)n34)cc2)nc1,LQEZTCZCRKFNQB-UHFFFAOYSA-N,3,1,0.373,93,651,446.539,5.952,6,0.335,0.75,1.0,0.15979028168048798,0.19896682886710987,0.5836046192858612,0.5957867863751628,0.3845371290521554
EOS-3-51533,CCc1nc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ccc(C(F)F)nc1,JZMRBFWNZLUHHS-UHFFFAOYSA-N,3,1,0.446,27,717,465.489,4.784,5,0.341,0.56,0.721,0.4945942704406826,0.46017236652731136,0.5440168597080393,0.44572853128640944,0.48612800699061065
EOS-3-51534,COc1cc(Cl)cc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cc4F)n23)c1,QVQQGJYKMFJQDE-UHFFFAOYSA-N,3,1,0.494,57,913,465.847,5.586,5,0.315,0.69,1.0,0.8992186964567199,0.9503461037625934,0.9662463162223288,0.9598639572339113,0.9439187684188883
EOS-3-51535,FCc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)n2)ccn1,YOMCKLQVSPCGAG-UHFFFAOYSA-N,3,1,0.489,58,143,479.878,4.527,5,0.317,0.6,1.0,0.8756510862860668,0.9123346583510383,0.7380148721814818,0.7360873140977314,0.8155219827290796
EOS-3-51536,Fc1cc(F)c(F)c(Oc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)c1,PUVKYJOAGFUSGZ-UHFFFAOYSA-N,3,1,0.379,13,573,438.344,4.597,5,0.232,0.71,1.0,0.7647693783839353,0.7894421218559385,0.9657151668836954,0.9628281132204783,0.870688695086012
EOS-3-51537,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cn[nH]c5)n4)n23)cc1,CYDXYIOHMYJYSW-UHFFFAOYSA-N,3,1,0.529,16,335,404.821,3.204,5,0.479,0.72,1.0,0.7559882804468508,0.8557586868617642,0.4326468370913577,0.4918871221986156,0.634070231649647
EOS-3-51538,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)ncn4)n23)c(Cl)c1,NSSFNXZOUZFQSE-UHFFFAOYSA-N,3,1,0.462,24,633,471.88,4.875,5,0.348,0.59,1.0,0.6985127818518264,0.8496076348433966,0.8532828455897471,0.8388561441984785,0.8100648516208622
EOS-3-51539,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)cs1,MLEHLOITKQFLCF-UHFFFAOYSA-N,3,1,0.558,24,912,407.484,3.654,5,0.439,0.72,1.0,0.34661777808237954,0.32067712973750945,0.08758823932561167,0.0653056678774587,0.20504720375573984
EOS-3-51540,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cc(Cl)n2)nn1C,RMMFLVDLZQMRMF-UHFFFAOYSA-N,3,1,0.484,4,964,485.31,4.315,5,0.342,0.68,1.0,0.4579535329997944,0.569554862586526,0.6321362483722843,0.6518230416009869,0.5778669213898979
EOS-3-51541,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)s1,GIAJVCIQOYISOA-UHFFFAOYSA-N,3,1,0.311,38,126,450.527,5.854,6,0.335,0.71,1.0,0.07137961757247618,0.1080203550133644,0.41043280104173807,0.39829346857651976,0.2470315605510246
EOS-3-51542,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnccn6)s5)n34)cc2)sc1F,JOGGDZPNLIBAHT-UHFFFAOYSA-N,3,1,0.325,38,983,471.546,5.548,6,0.335,0.68,1.0,0.21814817353162907,0.3343842094441779,0.42156123637858955,0.4140908779384552,0.3470461243232129
EOS-3-51543,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)nc2C)n(C(C)F)n1,OTFHUWXNJVFHOT-UHFFFAOYSA-N,3,1,0.346,31,105,480.895,3.572,5,0.335,0.58,0.991,0.34416763758481256,0.40638064560345416,0.06960626413542595,0.05920601740799123,0.21984014118292097
EOS-3-51544,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cn1,UYAVWVZHOMFNFR-UHFFFAOYSA-N,3,1,0.6,16,992,405.805,3.469,5,0.409,0.77,1.0,0.8376482077993284,0.6368137893221849,0.5509132341854568,0.5383284216297718,0.6409259132341855
EOS-3-51545,c1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6cccs6)ns5)n34)cc2)cc1,KPSXLKIRRPSPME-UHFFFAOYSA-N,3,1,0.379,93,651,438.541,5.705,6,0.353,0.7,1.0,0.11341751764786512,0.19428928791720923,0.3331591391953944,0.4738794462339799,0.2786863477486122
EOS-3-51546,CCc1nc(-c2nnc3cncc(OCc4nc(C(F)F)ns4)n23)ccc1-c1cnc(C)cn1,ATACWRKEPGGJDK-UHFFFAOYSA-N,3,1,0.374,7,690,481.492,3.882,5,0.341,0.6,0.348,0.3741690082927832,0.40638921252827087,0.07389829346857651,0.04953395928997327,0.22599761839490096
EOS-3-51547,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5Br)ns4)n23)cc1,UPNXCECTWCFNQN-UHFFFAOYSA-N,3,1,0.38,62,837,492.362,4.099,5,0.406,0.74,1.0,0.13533171132890137,0.2538379823178672,0.20988109108354466,0.21698307175656226,0.20400846412171889
EOS-3-51548,Cc1cccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1F,WUOCSUNKMDXETK-UHFFFAOYSA-N,3,1,0.424,0,646,401.445,3.722,5,0.553,0.85,1.0,0.3441762045096292,0.25384654924268385,0.47510451648276336,0.5151805907751353,0.397076965252553
EOS-3-51549,CC(F)c1nc(-c2nnc3cncc(-c4ccc(-c5nnn(C)n5)cc4)n23)cs1,MQTCNWHHBIKBEX-UHFFFAOYSA-N,3,1,0.28,61,917,407.438,3.136,5,0.451,0.63,1.0,0.042517647865122334,0.13791892262353506,0.08022068398327736,0.07645123706394352,0.08427712288396957
EOS-3-51550,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)nc2C)s1,SOWGSPVVFLMZIJ-UHFFFAOYSA-N,3,1,0.429,4,122,463.954,4.862,5,0.343,0.57,1.0,0.43705023644712493,0.4689877321636625,0.18575663079980811,0.17717257213350696,0.3172417928860256
EOS-3-51551,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1F,PBRHNSOVKBXSTB-UHFFFAOYSA-N,3,1,0.511,59,607,468.414,4.81,5,0.264,0.67,1.0,0.8603419916386814,0.7853214310191213,0.9644301281611952,0.9496436159276266,0.8899342916866562
EOS-3-51552,Fc1ccc(-n2ncnc2-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)cc4)n23)cc1F,GGSIWIDFNJMFDX-UHFFFAOYSA-N,3,1,0.294,39,144,487.861,4.428,6,0.362,0.67,0.652,0.07339284490439311,0.2538551161675005,0.6292491947090673,0.7858268795833048,0.43558100884106643
EOS-3-51553,Cc1cccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(F)c1,ILSJDCUKJMKMOM-UHFFFAOYSA-N,3,1,0.33,69,695,458.5,6.03,6,0.323,0.76,1.0,0.3533085463641971,0.4646528682064286,0.8624066205194983,0.8533599479130971,0.6334319957508053
EOS-3-51554,Fc1cccc(-c2ccncc2-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cc4)n23)c1,QOAOJFHVNGUWBL-UHFFFAOYSA-N,3,1,0.37,69,30,462.463,5.861,6,0.307,0.75,1.0,0.30439997258584056,0.4820351586594476,0.9445120279624426,0.9561030772393941,0.6717625591117813
EOS-3-51555,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cnn2)ccn1,GBMYXXGWSKFVIY-UHFFFAOYSA-N,3,1,0.415,55,564,452.812,3.549,5,0.373,0.39,1.0,0.6923788636830923,0.7424354053868824,0.8230244671372764,0.8366801452950449,0.773629720375574
EOS-3-51556,Cc1nc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)ccc1-c1ncc(Cl)cn1,PZTOTHNCHZDQEO-UHFFFAOYSA-N,3,1,0.404,27,52,481.854,3.912,5,0.355,0.51,1.0,0.6714155986567062,0.6465115482146528,0.4472705777534096,0.407545747378521,0.5431858680008225
EOS-3-51557,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(C(F)(F)F)n5)cn4)n23)c(F)c1,FHNQMARRUKDMIO-UHFFFAOYSA-N,3,1,0.5,27,679,485.376,4.519,5,0.338,0.68,1.0,0.8852032074566514,0.9503546706874101,0.9657237338085121,0.9299225549996574,0.9328010417380577
EOS-3-51558,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)nc2)n1C,HKGJQEAFOATFMD-UHFFFAOYSA-N,3,1,0.34,10,318,480.467,3.679,6,0.364,0.5,1.0,0.4438523747515592,0.42922863408950723,0.27437290110341994,0.26990953327393596,0.3543408608046056
EOS-3-51559,Clc1ncc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)cn1,XRHHAPXLRIVETI-UHFFFAOYSA-N,3,1,0.47,55,434,406.793,2.864,5,0.406,0.69,1.0,0.7500856692481667,0.6613151942978548,0.35539887601946407,0.3278990473579604,0.5236746967308614
EOS-3-51560,CCn1cnc(C2COC2)c1-c1cncc2nnc(-c3ccc(C(=O)NC)cn3)n12,NTEPCLCPKYCALP-UHFFFAOYSA-N,3,1,0.276,63,108,404.434,1.543,5,0.537,0.7,0.871,0.0795438969227606,0.03210026728805428,0.014298197519018573,0.007941539305051058,0.03347097525872113
EOS-3-51561,Fc1nc(-c2ccc(OC(F)F)cn2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)n1,SHZNTRRFIBZENJ-UHFFFAOYSA-N,3,1,0.458,18,324,481.398,2.795,5,0.305,0.56,0.754,0.6409944486327188,0.737800699061065,0.5029041875128504,0.44248166678089235,0.5810452504968816
EOS-3-51562,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)c(Cl)cn1,QKPKIDVHLJQTPL-UHFFFAOYSA-N,3,1,0.433,73,196,482.306,4.977,5,0.349,0.68,1.0,0.8400469467479953,0.8839181687341512,0.812101637996025,0.842685559591529,0.8446880782674251
EOS-3-51563,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cccs5)cc4)n23)cc1,QZMDPODWWSQBDI-UHFFFAOYSA-N,3,1,0.592,1,138,434.471,6.036,5,0.327,0.8,1.0,0.9703156055102461,0.8731324103899664,0.9677283942156124,0.9540898499074772,0.9413165650058255
EOS-3-51564,COc1cc(-c2nnnn2C)cnc1-c1cncc2nnc(-c3scnc3-c3cncc(F)c3)n12,VADVZJVPAHVEET-UHFFFAOYSA-N,3,1,0.304,86,899,487.484,2.71,6,0.357,0.64,0.964,0.280198409978754,0.35385682955246384,0.06145911863477486,0.08171989582619422,0.1943085634980467
EOS-3-51565,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccco5)s4)n23)cc1,FHXLCHOEHVXIFP-UHFFFAOYSA-N,3,1,0.325,32,126,439.475,5.981,6,0.338,0.75,0.961,0.2482694811870331,0.3967514221095196,0.7455966006442327,0.8015814543211569,0.5480497395654855
EOS-3-51566,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnnc6Cl)cc5)n34)cc2)n1,VRJPWXBDCVZVKQ-UHFFFAOYSA-N,3,1,0.333,9,98,476.931,5.334,6,0.339,0.64,1.0,0.3173531629086423,0.3780069906106504,0.730347474470564,0.7489891028716332,0.5436741827153725
EOS-3-51567,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)c(Cl)c2)s1,FUFDXNJVILEWQS-UHFFFAOYSA-N,3,1,0.563,37,832,481.944,4.736,5,0.346,0.62,1.0,0.7292766088684806,0.817490233705709,0.464901309026112,0.4708381879240628,0.620626584881091
EOS-3-51568,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)c(F)c1,GADBFASHDJUDAA-UHFFFAOYSA-N,3,1,0.461,12,163,481.466,5.324,6,0.331,0.74,1.0,0.589927009800562,0.695223082722226,0.840312521417312,0.84998457953533,0.7438617983688575
EOS-3-51569,CCn1nc(Cc2nnc3cncc(F)n23)cc1-c1nncc2c(F)cc(F)cc12,GDIDDSXMZFEKFY-UHFFFAOYSA-N,3,1,0.36,22,861,410.363,2.959,5,0.453,0.57,0.836,0.09334521280241245,0.12033102597491604,0.35156946062641353,0.5116595846754849,0.2692263210198067
EOS-3-51570,Cn1nnnc1-c1cc(F)c(COc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cn1,JWGLFFNBHIMHPC-UHFFFAOYSA-N,3,1,0.443,36,728,472.366,2.567,5,0.271,0.54,0.999,0.615507847303132,0.6036769241313138,0.5272770886162703,0.49812384346514976,0.5611464258789665
EOS-3-51571,Fc1cc(COc2cncc3nnc(-c4cccc(-c5ccc(Cl)nc5)c4)n23)ccc1Cl,AHVRPSBVNQDXMV-UHFFFAOYSA-N,3,1,0.693,57,962,466.303,5.878,5,0.303,0.78,1.0,0.9602580357754781,0.9459598382564595,0.9734425330683298,0.9812898362003976,0.9652375608251663
EOS-3-51572,Cc1c(-c2cncc3nnc(-c4ncc(-c5cnccn5)cc4F)n23)cnn1-c1ccc(Cl)cc1,UUXLNLFAABITAQ-UHFFFAOYSA-N,3,1,0.388,39,596,483.898,4.597,6,0.361,0.6,0.906,0.012447741758618326,0.14915872798300323,0.547554999657323,0.6374477417586183,0.33665230278939073
EOS-3-51573,OCc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1Cl,MDIDCQUXRWUUNY-UHFFFAOYSA-N,3,1,0.524,90,708,403.229,2.959,4,0.547,0.75,1.0,0.692387430607909,0.8647368240696319,0.7226029744362964,0.7834966760331711,0.7658059762867521
EOS-3-51574,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccon6)nc5)n34)cc2)n[nH]1,TXBCDZBUWFHHJH-UHFFFAOYSA-N,3,1,0.306,38,7,407.397,3.293,6,0.472,0.65,1.0,0.1327187992598177,0.14916729490781988,0.34385066136659587,0.337631073949695,0.24084195737098213
EOS-3-51575,FC(F)Cc1ncc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cn1,HGTMDDBBGMJYTQ-UHFFFAOYSA-N,3,1,0.482,68,811,403.78,3.016,4,0.488,0.7,1.0,0.5983911315194298,0.6855253238297581,0.6695565759714893,0.6807878144061408,0.6585652114317044
EOS-3-51576,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(Cl)n1,MEZIXHSQFFYDBK-UHFFFAOYSA-N,3,1,0.484,58,578,482.335,3.788,5,0.323,0.6,1.0,0.4724487697895963,0.5007196216846,0.1663611130148722,0.2699181001987527,0.3523619011719553
EOS-3-51577,c1cnc(-c2ccc(-c3nnc4cncc(-c5cnc6ncccc6n5)n34)cn2)nc1,YIAXSPUCDMNQMT-UHFFFAOYSA-N,3,1,0.279,86,557,404.397,2.648,6,0.438,0.76,1.0,0.10048146117469674,0.16062984031252142,0.10713796175724762,0.1408659447604688,0.12727880200123365
EOS-3-51578,Clc1ccc(-c2nnc3cncc(OCc4cccnc4Cl)n23)cc1-c1ccsc1,OULHTRPJTPAZOI-UHFFFAOYSA-N,3,1,0.556,97,91,454.342,5.801,5,0.314,0.75,1.0,0.9072030703858543,0.9037591666095538,0.9024055924885204,0.9333835926255911,0.91168785552738
EOS-3-51579,Fc1cc(Cl)cnc1-c1nnc2cncc(-c3ccsc3-c3cccc(Cl)c3)n12,UKERDFFZWOCDTI-UHFFFAOYSA-N,3,1,0.346,45,575,442.306,6.028,5,0.343,0.75,1.0,0.2745356726749366,0.460180933452128,0.8861198684120348,0.9554262901788774,0.6440656911794942
EOS-3-51580,Cc1ncc(-c2cccc(-c3nnc4cncc(Cc5ccc(Cl)c(Cl)c5)n34)c2)s1,IWZKBONZZPRJDE-UHFFFAOYSA-N,3,1,0.392,14,358,452.37,6.121,5,0.33,0.79,1.0,0.35563874991433075,0.4383095743951751,0.8761565348502501,0.9119577136591049,0.6455156432047152
EOS-3-51581,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCc4ncc(F)s4)n23)c1,RCZQGNMPCHAFRI-UHFFFAOYSA-N,3,1,0.455,7,211,408.422,2.761,5,0.441,0.61,1.0,0.36722123226646564,0.3154941402234254,0.20633438420944417,0.1828781440614077,0.26798197519018574
EOS-3-51582,Fc1ccc(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)nc2)c1F,SANQBJQANIUOAN-UHFFFAOYSA-N,3,1,0.287,45,315,454.362,5.27,5,0.273,0.69,1.0,0.3648053594681653,0.589772805153862,0.9883061476252485,0.9888372969638819,0.7329304023027894
EOS-3-51583,FC(F)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)cn1,YLQOJUAFSQHKPO-UHFFFAOYSA-N,3,1,0.465,66,225,406.223,5.022,4,0.478,0.79,0.998,0.48481084230004795,0.6613237612226716,0.9815725447193475,0.9868754711808649,0.778645654855733
EOS-3-51584,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnc6)cc5)n34)cn2)cc(F)c1F,HDKKCRWFDTVSOO-UHFFFAOYSA-N,3,1,0.298,69,696,481.441,5.395,6,0.314,0.75,1.0,0.3625094236172983,0.5605595915290248,0.9599667603317114,0.9584932492632444,0.7103822561853197
EOS-3-51585,c1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)cc2)n[nH]1,NSTLTOISSZKTKX-UHFFFAOYSA-N,3,1,0.31,9,556,406.409,3.898,6,0.473,0.67,1.0,0.1762045096292235,0.15306524569940375,0.527285655541087,0.515189157699952,0.3429361421424165
EOS-3-51586,Cn1nccc1-c1nc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)ccc1F,NCMNCLNNTLWGTJ-UHFFFAOYSA-N,3,1,0.495,6,297,485.508,3.823,6,0.35,0.63,1.0,0.44865841957370983,0.555445137413474,0.2558769104242341,0.22262010828592968,0.37065014392433693
EOS-3-51587,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ccc1F,RCPWPUFWBUNRKY-UHFFFAOYSA-N,3,1,0.8,48,378,402.389,2.522,4,0.529,0.78,1.0,0.8794462339798506,0.4017973408265369,0.7733705708998698,0.6633455554794051,0.6794899252964156
EOS-3-51588,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)cs1,WTYFBEAJVHKFPR-UHFFFAOYSA-N,3,1,0.577,24,99,407.484,3.654,5,0.439,0.71,1.0,0.3765334795421835,0.3251576314166267,0.12141045850181618,0.10279453087519703,0.23147402508395587
EOS-3-51589,Cc1nc(-c2nccc(COc3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)n2)n(C)n1,GMTQZDNYJGUUCT-UHFFFAOYSA-N,3,1,0.436,6,272,482.533,3.388,6,0.351,0.55,1.0,0.21815674045644576,0.16453635802892194,0.0205177849359194,0.01638852717428552,0.10489985264889315
EOS-3-51590,COc1ncc(-c2ccnc(F)c2)cc1-c1nnc2cncc(OCCc3nn(C)cc3Cl)n12,XVJSMCDAJYNXCX-UHFFFAOYSA-N,3,1,0.429,87,657,480.891,3.404,5,0.326,0.56,1.0,0.36952573504214925,0.38738777328490165,0.3438592282914125,0.3343842094441779,0.3587892365156603
EOS-3-51591,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncon6)cn5)n34)cc2)[nH]n1,LOJMVTFKTBJXOA-UHFFFAOYSA-N,3,1,0.311,38,983,407.397,3.293,6,0.472,0.62,1.0,0.2802069769035707,0.1898259200877253,0.3664330751833322,0.37637070797066685,0.30320917003632375
EOS-3-51592,COc1cc(-c2ncc(C#N)cc2C)ccc1-c1nnc2cncc(C=Cc3ccc(Cl)cn3)n12,SGOYRFHJHFWGQM-UHFFFAOYSA-N,3,1,0.361,14,257,479.931,5.261,5,0.338,0.69,0.993,0.4232317867178398,0.4471506408059763,0.795207662257556,0.6952059488725927,0.5901990096634911
EOS-3-51593,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5nccs5)nn4)n23)cc1F,OIWRJQZLGURGNJ-UHFFFAOYSA-N,3,1,0.473,71,415,487.484,2.613,6,0.345,0.63,1.0,0.4463967514221095,0.5463641971078061,0.06336097594407511,0.0744637105064766,0.2826464087451168
EOS-3-51594,FC(F)(F)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(Cl)c4Cl)n23)cn1,FBCZPBPMCFHPKW-UHFFFAOYSA-N,3,1,0.63,90,255,474.657,5.744,4,0.353,0.75,1.0,0.9693646768555959,0.9702813378109794,0.9978754026454664,0.9981923788636831,0.9839284490439312
EOS-3-51595,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)c(Cl)c1,RNHNHKNXOBOZKT-UHFFFAOYSA-N,3,1,0.457,27,79,487.833,3.628,5,0.37,0.64,1.0,0.4799448290041807,0.6904855732986087,0.7781080803234871,0.6546586937153039,0.650799294085395
EOS-3-51596,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)nc1Cl,RIXRURHQAMBPHO-UHFFFAOYSA-N,3,1,0.505,11,525,482.306,4.711,5,0.324,0.66,1.0,0.9132941539305051,0.9335463641971078,0.7889109725173052,0.8307175656226441,0.8666172640668905
EOS-3-51597,Cn1nccc1-c1cncc2nnc(-c3ccc(-c4c(F)ccc(F)c4F)cn3)n12,LQHINYBZMBWCPX-UHFFFAOYSA-N,3,1,0.292,45,844,407.359,3.671,5,0.427,0.68,1.0,0.1459204304023028,0.29005894044273867,0.8721300801864162,0.879848879446234,0.5469895826194229
EOS-3-51598,CCc1nc(-c2ccncc2F)sc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,HSXDZYWWIQYSFI-UHFFFAOYSA-N,3,1,0.585,97,232,466.929,5.244,5,0.34,0.62,1.0,0.8278990473579604,0.8839267356589678,0.4215698033034062,0.5419265300527722,0.6688305290932768
EOS-3-51599,CCCn1nc(C2CC2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)nc3)n12,NIGVNTVCENZPRV-UHFFFAOYSA-N,3,1,0.311,78,66,403.45,2.092,5,0.524,0.76,0.945,0.06364368446302515,0.04893427455280652,0.00029127544376670553,9.423617298334589e-05,0.028240867658145433
EOS-3-51600,N=c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)cc(-c2cccs2)[nH]1,MGFLXPHWVVVHMG-UHFFFAOYSA-N,3,1,0.516,35,698,467.917,4.136,5,0.365,0.54,0.996,0.5839815639777945,0.5463727640326228,0.6832208210540744,0.6807963813309574,0.6235928825988624
EOS-3-51601,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)c(Cl)c2)s1,CCKZGODQDRFVIJ-UHFFFAOYSA-N,3,1,0.57,37,265,485.907,4.566,5,0.348,0.68,1.0,0.827907614282777,0.8557672537865808,0.647436776094853,0.6924302652319924,0.7558854773490508
EOS-3-51602,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cccc(-c5ccccn5)n4)n23)c(F)c1F,LLCQHRSAFLPXRY-UHFFFAOYSA-N,3,1,0.303,64,176,482.429,4.79,6,0.334,0.62,0.987,0.2990799122746899,0.4203447330546227,0.7480124734425331,0.790487286683572,0.5644811013638544
EOS-3-51603,Cc1ncoc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)cn4)n23)cn1,ZCCAEZMINDCQDJ-UHFFFAOYSA-N,3,1,0.462,28,414,480.463,4.325,6,0.321,0.6,1.0,0.7137362072510451,0.5743180727845932,0.5305667877458707,0.43922623535055855,0.564461825783017
EOS-3-51604,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5c(F)cncc5F)c4)n23)cnc1Cl,YIURLAVDSMASDQ-UHFFFAOYSA-N,3,1,0.523,75,429,483.841,4.336,5,0.332,0.61,1.0,0.9521537248989103,0.9273696114042903,0.8919282434377356,0.8991073264341032,0.9176397265437598
EOS-3-51605,COc1nccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)c1C,UDNZMTQKSMDLLA-UHFFFAOYSA-N,3,1,0.423,55,354,460.885,3.588,5,0.35,0.43,0.999,0.5123620725104516,0.6755534233431567,0.3629206360084984,0.2641011582482352,0.4537343225275855
EOS-3-51606,FC1(c2cnc(-c3nnc4cncc(Cc5cnc(Cl)cn5)n34)cn2)CCCC1,OFPAZMNYFIINJK-UHFFFAOYSA-N,3,1,0.284,78,5,410.844,3.354,5,0.509,0.52,0.997,0.29908847919950654,0.3444417791789459,0.01872729764923583,0.17450825851552326,0.20919145363580288
EOS-3-51607,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(OC(F)F)cc5)n4)n23)cn1,IMQNKJWJOJXTNZ-UHFFFAOYSA-N,3,1,0.355,99,259,487.434,2.831,6,0.348,0.61,0.751,0.11042766088684805,0.2900675073675553,0.37423754369131657,0.3666472483037489,0.2853449900623672
EOS-3-51608,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)cn1,AYARDWHIHRTNBX-UHFFFAOYSA-N,3,1,0.415,7,94,405.809,2.599,5,0.473,0.66,1.0,0.48720958124871494,0.6182235624700158,0.27026934411623604,0.2875573983962717,0.41581497155780967
EOS-3-51609,CCc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)cn(C)c2=O)cc1F,NSKNEYKJWIYFFW-UHFFFAOYSA-N,3,1,0.461,35,657,489.486,3.409,5,0.345,0.7,1.0,0.33943869508601193,0.1530738126242204,0.5440254266328559,0.5015763141662669,0.38452856212733877
EOS-3-51610,Cn1ncc(-c2ccc(-c3nnc4cncc(Cc5ccc(Cl)cc5Cl)n34)c(F)c2)cc1=O,NQJCBOSVHWMJLZ-UHFFFAOYSA-N,3,1,0.343,45,358,481.318,4.589,5,0.375,0.64,1.0,0.39020629154958536,0.5416181207593722,0.893101912137619,0.9333921595504078,0.6895796209992462
EOS-3-51611,CCCOc1c(F)cc(-c2nnc3cncc(COc4ccc(C(F)(F)F)cn4)n23)cc1Cl,RVTVUNQEBGCLHM-UHFFFAOYSA-N,3,1,0.438,66,225,481.837,5.365,4,0.331,0.74,1.0,0.7847731478308546,0.8462665341648962,0.9851535192927147,0.9567712973750943,0.8932411246658899
EOS-3-51612,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccn5)cc(C(F)(F)F)c4)n23)nc1,CUKYFEWHXBQSJV-UHFFFAOYSA-N,3,1,0.415,44,348,480.425,5.294,5,0.318,0.73,1.0,0.8813823589884175,0.7810037009115208,0.9865499280378316,0.9655009937632787,0.9036092454252622
EOS-3-51613,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)ncc2Br)cc1,LXQCXBVVWGWAIC-UHFFFAOYSA-N,3,1,0.408,45,102,482.263,5.7,5,0.331,0.79,1.0,0.4534730313206771,0.7510451648276335,0.9809899938318142,0.9885974230690151,0.7935264032622851
EOS-3-51614,Fc1cc(CCc2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cscn1,BLQDCBJXXRBQLS-UHFFFAOYSA-N,3,1,0.41,11,275,480.956,4.842,5,0.316,0.68,0.958,0.5355013364402714,0.310345418408608,0.5639349599067919,0.6201682544033994,0.5074874922897676
EOS-3-51615,Cc1ccc(Oc2ccc(Cl)cc2)c(-c2cncc3nnc(-c4ccccc4Cl)n23)n1,MPZLUWZEHSJRDY-UHFFFAOYSA-N,3,1,0.414,83,480,448.313,6.261,5,0.325,0.84,1.0,0.4096018093345213,0.5605681584538414,0.8735093550818998,0.9204989377013227,0.6910445651428962
EOS-3-51616,O=C(NC1COC1)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(Cl)nc5)nc4)n23)s1,VLVIOTKXCAAKMX-UHFFFAOYSA-N,3,1,0.309,82,489,490.936,3.154,6,0.373,0.71,1.0,0.23177815091494758,0.20347303132067712,0.147539579192653,0.18830100747035844,0.19277294222465902
EOS-3-51617,Fc1ccccc1-c1ncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(Cl)n1,RGEGXZZIGXTHSL-UHFFFAOYSA-N,3,1,0.469,27,430,483.841,4.952,5,0.315,0.73,1.0,0.9337948050167911,0.9503632376122267,0.8894952367898019,0.8812966897402509,0.9137374922897677
EOS-3-51618,Cc1ccc(-c2ccc(Cc3cncc4nnc(-c5ccc(C#N)nc5)n34)cc2)nn1,SYVDZTZPQXSHND-UHFFFAOYSA-N,3,1,0.354,14,740,404.437,3.414,5,0.452,0.75,1.0,0.28021554382838737,0.2439860187786992,0.554314303337674,0.505080186416284,0.3958990130902612
EOS-3-51619,Cn1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnc(Cl)c6)cn5)n34)c(F)c2)n1,PPBSGSGGRFJGOE-UHFFFAOYSA-N,3,1,0.291,42,72,483.898,4.503,6,0.34,0.62,1.0,0.1517716400520869,0.26928414776231924,0.6886008498389418,0.7251559180316633,0.4587031389212528
EOS-3-51620,Cc1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)cc1-c1cncc(Cl)c1,HIFHLABDUXDZJY-UHFFFAOYSA-N,3,1,0.293,32,557,476.931,5.334,6,0.339,0.62,1.0,0.2615482146528682,0.3444503461037626,0.6292577616338839,0.6661041052703721,0.47534010691522166
EOS-3-51621,CC#Cc1cc(F)c(COc2cncc3nnc(-c4cnnc(-c5ccc(Cl)cc5)c4)n23)cn1,SJIGCAXTBWOTNC-UHFFFAOYSA-N,3,1,0.473,43,772,471.883,4.386,5,0.351,0.5,1.0,0.764777945308752,0.8527602631759303,0.8467377150298129,0.8348125556850113,0.8247721197998766
EOS-3-51622,Cn1ccnc1-c1cc(C(F)(F)F)cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,MMTOONOFNYZSJP-UHFFFAOYSA-N,3,1,0.566,27,51,485.857,4.838,5,0.354,0.71,0.997,0.920130559934206,0.942207525186759,0.9557175656226441,0.9237800699061065,0.9354589301624289
EOS-3-51623,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)c(Cl)c4)n23)nn1,UJHUNUDXJKVAMC-UHFFFAOYSA-N,3,1,0.389,77,177,480.919,5.095,6,0.339,0.67,1.0,0.5671047220889589,0.5695634295113426,0.5475635665821397,0.6016465629497636,0.5714695702830512
EOS-3-51624,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccc(C)nc5)c4)n23)c1,KYOMODWNRBVUAR-UHFFFAOYSA-N,3,1,0.534,11,684,474.927,5.279,5,0.311,0.68,1.0,0.9553149201562607,0.9436296347063258,0.835617846617778,0.8102511822356246,0.8862033959289972
EOS-3-51625,Cc1cc(COc2cncc3nnc(-c4cc(F)cc(-c5ncon5)c4)n23)n(C)n1,JQEGBEMEWVXGGZ-UHFFFAOYSA-N,3,1,0.543,36,662,406.381,2.601,5,0.438,0.68,1.0,0.44157357275032555,0.37801555753546706,0.23822047837708177,0.1963453498732095,0.31353873963402096
EOS-3-51626,Cc1cc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cc4F)n23)ccn1,NNEQCKDOLDBNQD-UHFFFAOYSA-N,3,1,0.531,68,127,404.327,3.627,4,0.484,0.74,1.0,0.8715475292988829,0.8213539167980262,0.9740850524295799,0.9119662805839216,0.8947381947776026
EOS-3-51627,Cc1c(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)c2)ccc(F)c1F,CQVIYPIJRWRHRW-UHFFFAOYSA-N,3,1,0.529,57,962,463.875,5.672,5,0.336,0.68,1.0,0.9227263381536563,0.8968799259817696,0.9681653073812624,0.9670601740799123,0.9387079363991502
EOS-3-51628,Cc1cc(-c2cnc(F)c(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)c2)n(C)n1,ORONYQCBEPLDON-UHFFFAOYSA-N,3,1,0.429,92,434,451.853,3.057,5,0.296,0.49,0.945,0.5405986567061888,0.5510760057569735,0.42157837022822287,0.36665581522856555,0.4699772119799877
EOS-3-51629,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc(-c2ccc(C(F)F)cn2)n1,QDKTZBPGLFIBOB-UHFFFAOYSA-N,3,1,0.432,27,786,480.866,4.517,5,0.327,0.62,0.986,0.7168545678843122,0.8760280309780001,0.7480210403673497,0.7061287780138441,0.7617581043108765
EOS-3-51630,CC(NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1)c1ccccc1,CLXJJYNNZSFSJU-UHFFFAOYSA-N,3,1,0.41,17,68,485.551,5.135,6,0.353,0.73,1.0,0.05158145432115688,0.032108834212870946,0.720135700089096,0.620176821328216,0.356000702487835
EOS-3-51631,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5cncnn5)s4)n23)c(F)c1,BHOKLWCQQINLQK-UHFFFAOYSA-N,3,1,0.429,71,614,487.484,2.613,6,0.345,0.61,1.0,0.46506408059762866,0.5141097251730519,0.07587725310122678,0.09463025152491261,0.287420327599205
EOS-3-51632,COc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)cc(C)n2)cc1F,GSNBEGHWIINKIN-UHFFFAOYSA-N,3,1,0.478,16,43,483.916,4.393,5,0.35,0.65,1.0,0.5613134809128915,0.5945017476526626,0.45462956617092726,0.3857172229456514,0.49904050442053316
EOS-3-51633,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccnc(Cl)c1,LQWYAJIKTOZSPS-UHFFFAOYSA-N,3,1,0.468,72,224,480.315,4.538,5,0.327,0.6,1.0,0.6682544033993557,0.7190391337125626,0.7278544993489137,0.714618600507162,0.7074416592419984
EOS-3-51634,FC(F)Oc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)n2)cn1,HGPOHUYSGIEGTB-UHFFFAOYSA-N,3,1,0.315,30,945,483.442,4.097,6,0.348,0.59,0.997,0.14903879103556988,0.3444589130285793,0.6262422040984168,0.6169642245219656,0.43417603317113296
EOS-3-51635,CC1CCCN1C(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4cccc(F)c4)n23)cc1,RHDVOUWZUNWNNM-UHFFFAOYSA-N,3,1,0.396,62,376,484.56,5.345,6,0.344,0.81,1.0,0.11614179973956548,0.18560242615310807,0.11843773559043246,0.2849102186279213,0.17627304502775684
EOS-3-51636,CCc1cc(-c2nnc3cncc(-c4cc(-c5c(C#N)n[nH]c5C)ncn4)n23)ccn1,TWZTWIMQBDZRMP-UHFFFAOYSA-N,3,1,0.267,50,974,408.429,2.776,5,0.48,0.59,0.357,0.18783839353025839,0.13068843807826744,0.16636967993968885,0.1340466726064012,0.15473579603865398
EOS-3-51638,CCc1cccc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6ccc(OC)nc6)cc5)n34)n2)c1,XXDSUJJOALWLMA-UHFFFAOYSA-N,3,1,0.351,9,757,486.539,4.943,6,0.326,0.76,1.0,0.30440853951065727,0.21317079021314508,0.47194332122541294,0.36346035227194845,0.33824575080529096
EOS-3-51639,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5Cl)cc4F)n23)cc1,HIJFRUBHLDYZJH-UHFFFAOYSA-N,3,1,0.374,83,302,483.934,5.81,6,0.342,0.88,1.0,0.3810311150709341,0.46018950037694467,0.8139178260571586,0.8936587622507025,0.637199300938935
EOS-3-51640,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)cc5Cl)n4)n23)cc1,SUYUVUAWBIGRGN-UHFFFAOYSA-N,3,1,0.325,8,973,489.33,4.141,6,0.367,0.7,1.0,0.07719655952299363,0.22352820231649648,0.3515780275512302,0.5284250565417038,0.29518196148310605
EOS-3-51641,Fc1ccc(Cl)cc1-c1nnc2cncc(-c3cscc3-c3cnc(Cl)cn3)n12,MBMXUBPWZGFCDI-UHFFFAOYSA-N,3,1,0.384,45,575,443.294,5.423,5,0.372,0.57,1.0,0.29667260640120624,0.4689962990884792,0.8836782948392845,0.9412394626824755,0.6476466657528613
EOS-3-51642,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccncn4)n23)c(Cl)c1,JDKSTUVZXWFLJT-UHFFFAOYSA-N,3,1,0.309,39,961,404.796,3.498,5,0.454,0.72,1.0,0.30954012747584125,0.41586423137550543,0.5305753546706874,0.6838462065656912,0.4849564800219313
EOS-3-51643,Cc1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4OCC4CCCC4)n23)cc1,KDPPPUUHZRNDQZ-UHFFFAOYSA-N,3,1,0.367,0,21,418.928,5.989,5,0.399,0.79,0.987,0.5022873689260503,0.5897813720786786,0.33316770612021107,0.6661126721951888,0.5228372798300323
EOS-3-51644,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ncn2)cn1,UNCDIJLACLPEMR-UHFFFAOYSA-N,3,1,0.429,18,194,470.345,4.633,5,0.334,0.54,0.997,0.6528425056541703,0.6709015831677061,0.5742238366116099,0.6633541224042218,0.640330511959427
EOS-3-51645,Cc1noc(-c2cnc(-c3nnc4cncc(OCc5cc(CO)no5)n34)cn2)n1,DCMIEGJSVJLSKT-UHFFFAOYSA-N,3,1,0.453,7,828,407.35,0.999,5,0.425,0.7,1.0,0.30954869440065796,0.189834487012542,0.017005345761085602,0.00895243643341786,0.13133524090192583
EOS-3-51646,CCc1nc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1cnc(COC)nc1,UFMTWXWAPQNWOR-UHFFFAOYSA-N,3,1,0.366,31,690,474.55,3.696,5,0.332,0.51,0.989,0.23178671783976423,0.14917586183263656,0.04659550407785621,0.021597217462819545,0.11228882530326914
EOS-3-51647,Cc1ncc(-c2nnc3cncc(-c4nnn(-c5ccc(Cl)nc5)n4)n23)c(-c2ccc(F)cc2)n1,KDHBOJIKASEVAD-UHFFFAOYSA-N,3,1,0.315,10,952,485.874,3.387,6,0.345,0.6,0.722,0.038011445411555066,0.25386368309231716,0.2026848742375437,0.3439277636899459,0.20962194160784042
EOS-3-51648,Cc1cnc(Cl)c(F)c1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,KYAKCWSOPFUWTC-UHFFFAOYSA-N,3,1,0.396,46,128,483.294,4.372,5,0.34,0.62,1.0,0.6096737715029813,0.7378092659858817,0.6886094167637585,0.7436005071619491,0.6949232403536427
EOS-3-51649,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ncc(Cl)cn5)n4)n23)c(F)c1,OYNQRBBBEAGIBC-UHFFFAOYSA-N,3,1,0.273,39,527,489.837,3.218,6,0.367,0.63,0.688,0.07340141182920978,0.2034815982454938,0.22738331848399698,0.40409327667740386,0.22708990130902612
EOS-3-51650,O=C(O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)nc1,PABHIQAACKUFNC-UHFFFAOYSA-N,3,1,0.355,68,455,402.296,1.679,4,0.541,0.71,1.0,0.19069117949420875,0.16063840723733808,0.36292920293331504,0.1883095743951751,0.2256420910150092
EOS-3-51651,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,HLKMBFFTOKQJPO-UHFFFAOYSA-N,3,1,0.579,97,91,404.817,4.074,5,0.436,0.8,1.0,0.9055153861969707,0.7683503529573025,0.7380234391062984,0.7360958810225482,0.78699626482078
EOS-3-51652,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nc(C)cs1,CYYJKRBOKNYNCY-UHFFFAOYSA-N,3,1,0.443,49,690,477.981,4.851,5,0.331,0.67,0.985,0.5355099033650881,0.5743266397094099,0.16637824686450553,0.1854910561304914,0.36542646151737374
EOS-3-51653,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnc1Cl,OPKQZFOMOCLUJA-UHFFFAOYSA-N,3,1,0.729,23,281,404.232,4.254,4,0.466,0.8,1.0,0.9932920978685491,0.9938061133575492,0.9056438900692207,0.940425604824892,0.9582919265300527
EOS-3-51654,c1ccc(-c2cccnc2COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cc1,CJENQRGZAQLBOL-UHFFFAOYSA-N,3,1,0.524,12,285,462.538,5.556,6,0.323,0.74,1.0,0.4511942293194435,0.4558717702693441,0.5836131862106778,0.5709684051812761,0.5154118977451854
EOS-3-51655,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5csnn5)cc(Cl)n4)n23)ccc1Cl,UCKBLLSDWDJAOH-UHFFFAOYSA-N,3,1,0.478,4,712,481.328,4.462,5,0.338,0.62,0.995,0.5586491672949078,0.7683589198821191,0.7757264752244535,0.8266054417106435,0.732335001028031
EOS-3-51656,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)n1,HQAJUIPJAICTJU-UHFFFAOYSA-N,3,1,0.518,16,256,408.422,3.059,5,0.476,0.6,1.0,0.7137447741758618,0.6660612706462888,0.2743814680282366,0.26721095195668565,0.48034961620176825
EOS-3-51657,COc1ccnc(C(C)(C)c2ccc(-c3nnc4cncc(OCc5ccc(CO)cn5)n34)cn2)c1,XHQRNLKAFXVGTH-UHFFFAOYSA-N,3,1,0.484,89,205,483.532,3.382,5,0.354,0.62,1.0,0.49222123226646564,0.3873963402097183,0.5930710712082791,0.2611113014872182,0.43344998629292025
EOS-3-51658,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(C)nn5C)n34)cnn2)cn1,MCXYUCSCIJZWLQ-UHFFFAOYSA-N,3,1,0.367,92,986,444.459,1.806,5,0.366,0.38,0.999,0.210001028030978,0.11118155027071483,0.05379172092385717,0.0240045233363032,0.09974470564046331
EOS-3-51659,Cc1ccc(-c2nnc3cncc(-c4cccnc4OCc4cccc(C)c4C)n23)cc1,TUDVSRJTIOXKLS-UHFFFAOYSA-N,3,1,0.374,62,230,421.504,5.358,5,0.382,0.62,1.0,0.362517990542115,0.24894626824754987,0.7380320060311151,0.5928825988623124,0.4855947159207731
EOS-3-51660,N#Cc1ccc(-c2cc(COc3cncc4nnc(-c5ccncc5)n34)ncn2)nn1,KSLNNALJJPUNCL-UHFFFAOYSA-N,3,1,0.478,4,617,408.385,1.884,5,0.423,0.58,0.999,0.40961037625933794,0.41123809197450484,0.24186998834898224,0.21128606675347816,0.31850113083407583
EOS-3-51661,Fc1ccc(COc2cncc3nnc(-c4cc(F)c(F)c(F)c4)n23)cc1Cl,BHCPAIPATHNRFZ-UHFFFAOYSA-N,3,1,0.81,23,627,408.742,4.58,4,0.366,0.79,1.0,0.9885545884449318,0.9882376122267151,0.9952539236515661,0.9980810088410664,0.9925317832910698
EOS-3-51662,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(F)cc4)n23)cc1,PGHWFGBBGBUTDS-UHFFFAOYSA-N,3,1,0.478,0,646,401.445,3.608,5,0.536,0.87,1.0,0.38336131862106776,0.37322664656294974,0.370253923651566,0.47670653142348024,0.40088710506476594
EOS-3-51663,Fc1ncccc1-c1cnc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)nc1,WMJOVFIHNZFHHF-UHFFFAOYSA-N,3,1,0.542,27,679,483.385,4.26,5,0.261,0.76,1.0,0.9712322664656295,0.9722003289699129,0.9574052498115276,0.909584675484888,0.9526056301829895
EOS-3-51664,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c(F)c2)s1,PGOCBZFEDKIBKU-UHFFFAOYSA-N,3,1,0.59,37,832,472.958,5.094,5,0.342,0.6,1.0,0.8252861352888767,0.8704852306216161,0.47511308340758,0.5419350969775889,0.6782048865739154
EOS-3-51665,Cc1ncnc(-c2ccccc2)c1-c1nnc2cncc(OCc3ncc(-c4ncccn4)s3)n12,BAFWYXZHTHSBSZ-UHFFFAOYSA-N,3,1,0.463,28,414,479.529,4.049,6,0.349,0.59,1.0,0.364813926392982,0.31035398533342473,0.06146768555959153,0.07054005894044274,0.20179391405661024
EOS-3-51667,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)c2)ccc1Cl,PYJBCNWFCNQDPV-UHFFFAOYSA-N,3,1,0.529,88,560,481.865,5.546,5,0.318,0.78,1.0,0.9316359399629909,0.9304023027893907,0.9752073195805634,0.9809899938318142,0.9545588890411898
EOS-3-51668,CCn1nc(-c2nnc(-c3cccnc3)o2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,ZJLKFSODSWGZSD-UHFFFAOYSA-N,3,1,0.304,74,63,492.503,3.146,6,0.371,0.76,1.0,0.07955246384757728,0.038097114659721744,0.06336954286889178,0.03919368103625523,0.05505320060311151
EOS-3-51669,CCOc1nc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,JSHQBIDARPGGQN-UHFFFAOYSA-N,3,1,0.468,11,848,472.936,4.922,5,0.296,0.65,0.999,0.6653245151120554,0.6085515043519978,0.4001524912617367,0.40410184360222057,0.5195325885820026
EOS-3-51670,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)c(F)c5F)n34)cn2)n1,AHHIIDPQKKEWCO-UHFFFAOYSA-N,3,1,0.256,39,972,487.409,2.918,6,0.345,0.6,0.998,0.21000959495579466,0.27953018984305394,0.38171646905626755,0.4614659721746282,0.3331805565074361
EOS-3-51671,Fc1ccc(-c2cc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cs2)nc1Cl,AEBQOPNMKDBLID-UHFFFAOYSA-N,3,1,0.395,50,243,458.856,5.707,5,0.323,0.71,0.115,0.3466263450071962,0.5649544239599753,0.9492923720101433,0.9489325611678432,0.7024514255362895
EOS-3-51672,Cc1nc(-c2nnc3cncc(-c4ccc5ncc-5nnco4)n23)c(-c2cccnc2)s1,MRGPXGNTAKZUMF-UHFFFAOYSA-N,3,1,0.253,82,478,439.464,3.857,6,0.408,0.44,1.0,0.03142348022753752,0.019721060927969297,0.06961483106024262,0.07831025974916044,0.04976740799122747
EOS-3-51673,OCc1cc(-c2nnc3cncc(OCc4ccc(F)cc4Cl)n23)ccc1F,JRZUVXGGNLMUBN-UHFFFAOYSA-N,3,1,0.605,23,17,402.788,3.794,4,0.55,0.79,1.0,0.9753443903776301,0.9618172160921116,0.9789167980261805,0.9812984031252142,0.9743442019052841
EOS-3-51674,COc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1ncc(F)cn1,FOAIQNLTKBAKPU-UHFFFAOYSA-N,3,1,0.43,73,665,483.385,3.787,5,0.266,0.7,0.97,0.877604345144267,0.7554571311082174,0.8192378863683092,0.7539836200397505,0.8015707456651361
EOS-3-51675,Cc1nc(-c2ccccc2)ccc1-c1nnc2cncc(OCc3cnnc(-c4cncs4)c3)n12,SLJRJKGXSCXSKY-UHFFFAOYSA-N,3,1,0.457,28,363,478.541,4.654,6,0.341,0.65,0.989,0.4370588033719416,0.3685748063874991,0.3256373792063601,0.3063189637447742,0.3593974881776437
EOS-3-51676,Fc1cc(F)c(F)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)c1,YLUIVMROHBNGHD-UHFFFAOYSA-N,3,1,0.417,13,412,470.361,5.396,5,0.253,0.83,1.0,0.8813909259132342,0.9236429991090398,0.9863271879925982,0.9775717908299637,0.942233225961209
EOS-3-51677,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(C(F)(F)F)c5)n34)c2)ccc1F,LIZZKCFNFCGSRW-UHFFFAOYSA-N,3,1,0.409,97,153,480.425,5.294,5,0.318,0.74,1.0,0.8146974162154753,0.7237766431361798,0.989839627167432,0.9755242957987801,0.8759594955794668
EOS-3-51678,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1C(F)F,FDFSDLXJJOXVSB-UHFFFAOYSA-N,3,1,0.564,90,255,405.767,4.495,4,0.489,0.71,1.0,0.9528733465835104,0.9459684051812761,0.9854961962853814,0.9829946542389144,0.9668331505722705
EOS-3-51679,Clc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,DBRDLOZEAZDEEF-UHFFFAOYSA-N,3,1,0.419,7,94,406.797,1.994,5,0.465,0.61,1.0,0.45796209992461107,0.579535329997944,0.14170550339250224,0.16127235967377151,0.3351188232472072
EOS-3-51681,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)c(F)c5)n34)c(F)c2)cc1=O,SYFNTSDNEMQHSQ-UHFFFAOYSA-N,3,1,0.536,59,607,482.397,3.687,5,0.281,0.66,1.0,0.8172246590363923,0.7146271674319786,0.9451888150229594,0.9288773901720239,0.8514795079158386
EOS-3-51683,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,FQLBHNFRGBPJKZ-UHFFFAOYSA-N,3,1,0.456,55,283,405.809,2.599,5,0.473,0.64,1.0,0.6498269481187033,0.6660698375711055,0.3219279007607429,0.3535741210335138,0.4978497018710164
EOS-3-51684,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(C(F)F)cn5)ncn4)n23)c1F,INBLRVSMZUXLQU-UHFFFAOYSA-N,3,1,0.412,18,481,482.401,3.876,5,0.322,0.58,0.942,0.7292851757932972,0.6413970940991022,0.8735179220067165,0.8408179699814955,0.7712545404701528
EOS-3-51685,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)cc1Cl,UGDJQSHLEPXKFK-UHFFFAOYSA-N,3,1,0.506,13,145,471.735,5.944,5,0.324,0.79,1.0,0.6381073949695018,0.742443972311699,0.9469107669111095,0.9675484887944623,0.8237526557466932
EOS-3-51686,Cn1nc(-c2nccs2)nc1COc1cncc2nnc(-c3cncc(-c4cncnc4F)c3)n12,RMDVYIBVBMFHEC-UHFFFAOYSA-N,3,1,0.39,80,855,487.484,2.613,6,0.323,0.69,0.951,0.38791892262353506,0.45588033719416077,0.04660407100267288,0.05619045987252416,0.23664844767322318
EOS-3-51687,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)n[nH]1,XDRGKQHICNENFN-UHFFFAOYSA-N,3,1,0.483,65,981,412.417,1.467,5,0.427,0.58,1.0,0.6127150298128984,0.4866355972859982,0.10190357069426359,0.07645980398876019,0.3194285004454801
EOS-3-51688,Cn1nc(-c2nnc3cncc(OCCc4c(Cl)ccc5ccccc45)n23)cc1-c1cnccn1,YGAROINFYCVYKT-UHFFFAOYSA-N,3,1,0.433,19,54,482.935,4.41,6,0.347,0.61,0.994,0.472457336714413,0.4339661435131245,0.4472791446782263,0.5419436639024056,0.47391157220204233
EOS-3-51689,CCc1ncc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)c(-c2cccnc2Cl)n1,QCLLHZDCFKLPNK-UHFFFAOYSA-N,3,1,0.489,59,446,479.878,4.716,5,0.325,0.63,0.999,0.8400555136728121,0.8892639298197519,0.635083270509218,0.692438832156809,0.7642103865396477
EOS-3-51690,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4cc(F)cc(F)c4)n23)nn1,MVEWZWPGPCRIBK-UHFFFAOYSA-N,3,1,0.488,13,706,405.368,3.657,5,0.454,0.72,1.0,0.5147608114591187,0.6225155918031663,0.7201442670139127,0.7061373449386609,0.6408895038037146
EOS-3-51691,COc1ccc(C#N)cc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)c1,YZZDNOVNNGVUEF-UHFFFAOYSA-N,3,1,0.464,97,439,484.466,4.899,5,0.338,0.73,1.0,0.7959958193406894,0.7595863888698513,0.9458827359331095,0.8991158933589198,0.8501452093756424
EOS-3-51692,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nc2Cl)ncn1,YCIPHQBODCXMKG-UHFFFAOYSA-N,3,1,0.4,46,122,470.345,4.899,5,0.338,0.59,1.0,0.592865465012679,0.626961825783017,0.5338993214995545,0.5867058460694949,0.5851081145911863
EOS-3-51693,Fc1cccc(-n2cc(-c3cncc4nnc(-c5cncnc5-c5ccc(Cl)c(F)c5)n34)nn2)c1,ZXMRNRDZFPZSMJ-UHFFFAOYSA-N,3,1,0.304,10,783,487.861,4.428,6,0.362,0.64,0.971,0.06017407991227469,0.26406689054896854,0.7757350421492701,0.8632718799259818,0.4908119731341238
EOS-3-51694,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)cnn2)c(F)c1,SERWSZUGVMIRHW-UHFFFAOYSA-N,3,1,0.44,73,778,484.829,3.731,5,0.359,0.54,1.0,0.8068586800082242,0.8326108560071277,0.7480296072921664,0.8038345555479405,0.7978334247138648
EOS-3-51695,COc1cc(-c2nnc3cncc(OCCc4oc(CF)nc4Cl)n23)ccc1-c1cnn(C)c1,QRJMMQCIANJQMY-UHFFFAOYSA-N,3,1,0.495,15,771,483.891,3.933,5,0.327,0.62,1.0,0.5510074703584401,0.5187615653485025,0.340081214447262,0.27893907203070384,0.42219733054622716
EOS-3-51696,COc1cc(-c2nnc3cncc(OCc4ncc(F)s4)n23)ccc1-c1ccc(Cl)cc1,DNORHWUQOGJCGI-UHFFFAOYSA-N,3,1,0.536,1,326,467.913,5.295,5,0.337,0.65,1.0,0.8468062504283462,0.8866681516003015,0.7975378658076897,0.7881313823589884,0.8297859125488315
EOS-3-51697,Fc1cccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1F,ZLIHRIUMXGFPOO-UHFFFAOYSA-N,3,1,0.455,83,472,418.834,6.057,5,0.358,0.82,1.0,0.5355184702899047,0.910304297169488,0.9881862106778151,0.9959307107120828,0.8574849222123226
EOS-3-51698,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)nc3Cl)n12,FRSGULULHUSUDX-UHFFFAOYSA-N,3,1,0.468,35,143,482.306,4.711,5,0.324,0.64,1.0,0.822647522445343,0.9012747584127202,0.712194160784045,0.7951476937838393,0.8078160338564868
EOS-3-51699,Cn1cc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)c(-c2cnc(Cl)c(F)c2)n1,XTQWLFZBOXOFQK-UHFFFAOYSA-N,3,1,0.313,42,42,485.914,4.447,6,0.343,0.66,1.0,0.19069974641902543,0.3206856966623261,0.6177609485299157,0.6255654170379,0.4386779521622919
EOS-3-51700,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ncn2)cnc1F,CWFHBHWTJQQNEH-UHFFFAOYSA-N,3,1,0.392,46,488,468.374,3.482,5,0.285,0.51,0.077,0.7819888972654376,0.6855338907545747,0.8037231855253238,0.7668511411143856,0.7595242786649304
EOS-3-51701,CCc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,IIRADWJBCXYXIG-UHFFFAOYSA-N,3,1,0.344,63,5,400.446,2.022,5,0.527,0.86,0.999,0.05308923308889041,0.03810568158453841,0.011582482352134878,0.012139332465218285,0.0287291823726955
EOS-3-51702,Cc1ccc(COc2cncc3nnc(-c4cc(C#N)cc(-c5cnc(Cl)cc5C)c4)n23)cn1,BRSZZTXLHZGFJW-UHFFFAOYSA-N,3,1,0.602,97,214,467.92,4.969,5,0.336,0.56,1.0,0.7559968473716675,0.7099581934068947,0.8761651017750668,0.8226560893701597,0.7911940579809471
EOS-3-51703,Fc1cc(-c2nnc3cncc(-c4cncc(-c5cnn(C(F)F)c5Cl)c4)n23)ncc1Cl,JMLOAKMQIJIBEG-UHFFFAOYSA-N,3,1,0.267,50,243,477.237,4.953,5,0.364,0.57,0.935,0.25101089712836683,0.3920824480844356,0.9370673702967582,0.9527448427112604,0.6332263895552053
EOS-3-51704,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ccnc(F)c1,VESWYLUYHAMSBL-UHFFFAOYSA-N,3,1,0.506,97,83,467.913,5.295,5,0.316,0.65,1.0,0.8692430265231992,0.8892724967445685,0.8735264889315332,0.834821122609828,0.8667157837022822
EOS-3-51705,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ncccn5)c4)n23)cnc1Cl,PNKPPGTXQLSBSM-UHFFFAOYSA-N,3,1,0.553,35,325,482.306,4.711,5,0.324,0.63,1.0,0.9779316016722637,0.9806216160646974,0.7999366047563566,0.8445103145774793,0.9007500342676993
EOS-3-51706,Cc1cncc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Br)cn5)n34)c2)c1,XDHVIHZDYOJJSB-UHFFFAOYSA-N,3,1,0.511,87,419,488.349,4.336,5,0.351,0.7,1.0,0.6682629703241725,0.6516003015557535,0.5172880542800357,0.4767150983482969,0.5784666061270647
EOS-3-51707,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(-c5ccccc5F)nc4)n23)o1,CTAFHINRNKCXIP-UHFFFAOYSA-N,3,1,0.341,83,192,466.451,5.762,6,0.328,0.69,1.0,0.26667123569323553,0.537034815982455,0.8121102049208416,0.8464464395860462,0.6155656740456446
EOS-3-51708,NCc1ncc(-c2cccc(-c3cncc4nnc(-c5cc(F)c(-c6ccsc6)cn5)n34)c2)cn1,YMRVSGNOKZVWDL-UHFFFAOYSA-N,3,1,0.281,42,106,480.532,4.637,6,0.383,0.51,1.0,0.17621307655404017,0.1306970050030841,0.5707884997601261,0.6169727914467823,0.3736678431910082
EOS-3-51709,Cc1c(Cl)ccc(-c2cncc3nnc(-c4ccc(CC#Cc5cccc(F)c5)nc4)n23)c1F,KBZKSCKRAVANQQ-UHFFFAOYSA-N,3,1,0.352,96,358,471.898,5.688,5,0.317,0.73,0.964,0.39662291823726953,0.6904941402234254,0.9766208621753135,0.9779658693715304,0.7604259475018847
EOS-3-51710,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccn(C)n5)n34)c(F)c2)cn1,UTGAULRAKHSVIT-UHFFFAOYSA-N,3,1,0.488,36,404,404.409,2.643,5,0.448,0.77,1.0,0.4370673702967583,0.5463813309574396,0.47512165033239667,0.38572578987046807,0.46107403536426567
EOS-3-51711,c1cncc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6ncc(-c7nnco7)n6)n5)n34)cn2)c1,HWXCFNUWPHCVKJ-UHFFFAOYSA-N,3,1,0.28,70,887,486.459,2.941,7,0.353,0.58,1.0,0.06018264683709136,0.04546467000205606,0.08759680625042834,0.10700089096018094,0.07506125351243918
EOS-3-51712,Cc1noc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)n1,CNUQGKAGBGHOMZ-UHFFFAOYSA-N,3,1,0.389,46,128,405.353,2.053,5,0.428,0.72,1.0,0.46978445617161263,0.40180590775135355,0.10465355356041395,0.1070094578849976,0.27081334384209443
EOS-3-51713,Cc1cc(-c2nnc3cncc(-c4ccc(-c5cocn5)cc4Cl)n23)ccc1-c1nccn1C,RIKHOWLKBVNBIO-UHFFFAOYSA-N,3,1,0.302,9,192,467.92,5.476,6,0.341,0.61,1.0,0.2855099033650881,0.2692927146871359,0.7251559180316633,0.7198529915701459,0.4999528819135083
EOS-3-51714,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2F)cs1,WWEWYVWAPWFPDL-UHFFFAOYSA-N,3,1,0.506,13,145,455.877,5.947,5,0.335,0.77,1.0,0.817233225961209,0.8618497704064149,0.9280892330888905,0.9334007264752244,0.8851432389829346
EOS-3-51715,c1ccc(-n2nnc(-c3cncc4nnc(-c5cccnc5-c5ccc(-c6nnco6)cc5)n34)n2)cc1,AEPUIYFGXJWPTO-UHFFFAOYSA-N,3,1,0.262,30,465,485.471,3.546,7,0.356,0.57,0.986,0.040967034473305464,0.03517579329723802,0.12398053594681653,0.17192104722088958,0.0930111027345624
EOS-3-51716,Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)cc5)c(Cl)n4)n23)ccc1F,GUISBUUVYHHRCM-UHFFFAOYSA-N,3,1,0.451,11,275,478.89,5.11,5,0.316,0.71,0.998,0.8648224933177986,0.8788294153930505,0.8158539510657254,0.8408265369063121,0.8500830991707217
EOS-3-51717,COC(C)c1cncc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccccn5)c4)n23)c1,FRVAIGWTWNZXAA-UHFFFAOYSA-N,3,1,0.478,97,214,472.936,5.188,5,0.322,0.64,0.989,0.8736207251045165,0.8788379823178671,0.8905661023918854,0.8348296895346446,0.8694636248372284
EOS-3-51718,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)cnn1,WAODNCHHDVOCFU-UHFFFAOYSA-N,3,1,0.563,88,629,466.398,4.426,5,0.272,0.61,1.0,0.9173634432184223,0.9335549311219244,0.9517682132821602,0.9534216297717771,0.939027054348571
EOS-3-51719,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)c1,FCGVYBKMUHSEQL-UHFFFAOYSA-N,3,1,0.333,69,958,421.485,5.842,6,0.358,0.72,1.0,0.23179528476458092,0.23329449660749776,0.7911126721951888,0.797297991912823,0.5133751113700226
EOS-3-51720,Fc1ccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)n2)cc1Cl,FZQQSCCJLZHTSV-UHFFFAOYSA-N,3,1,0.338,3,74,475.896,5.424,6,0.335,0.68,1.0,0.3466349119320129,0.5605767253786581,0.7146357343567953,0.7813121102049209,0.6007898704680968
EOS-3-51721,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4cc(Br)ns4)n23)c1,CNNQEDBXYMJNFK-UHFFFAOYSA-N,3,1,0.484,26,55,482.367,4.473,5,0.355,0.59,1.0,0.40738297580700433,0.4112466588993215,0.28540710026728805,0.2579758070043177,0.34050313549448286
EOS-3-51722,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cc(-c6ccnn6C)ccn5)n34)c2)o1,GGKGEXYGNHSLBV-UHFFFAOYSA-N,3,1,0.568,40,439,482.479,4.268,6,0.346,0.57,1.0,0.48237783565211434,0.4292372010143239,0.5836217531354945,0.4645072304845453,0.48993600507161944
EOS-3-51723,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cc2)nc1,OFZWUSSFPLZDBA-UHFFFAOYSA-N,3,1,0.371,96,856,403.808,4.103,5,0.451,0.82,1.0,0.34188026865876225,0.5323230073332876,0.6778322253443904,0.7763861284353368,0.5821054074429444
EOS-3-51724,FC(F)c1cnc(COc2cncc3nnc(-c4ccc(-c5cccs5)nc4Cl)n23)cn1,PTJKUXINHCIRSZ-UHFFFAOYSA-N,3,1,0.477,27,69,471.88,4.875,5,0.326,0.61,1.0,0.695608594338976,0.8252604345144267,0.6940237132478926,0.6690082927832225,0.7209752587211293
EOS-3-51725,Cc1cnc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCCC5)nc4)n23)nn1,XAQUQNOEQRGUQA-UHFFFAOYSA-N,3,1,0.382,78,5,401.434,1.507,5,0.505,0.8,0.886,0.009517853471317936,0.0032125968062504283,6.853539853334247e-05,7.710232335001028e-05,0.0032190219998629297
EOS-3-51726,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nncs5)n4)n23)c(F)c1,VRKVPCYKXWRTGU-UHFFFAOYSA-N,3,1,0.458,81,218,485.508,3.823,6,0.35,0.61,1.0,0.5097320265917347,0.5463898978822562,0.3702624905763827,0.3407751353574121,0.4417898876019464
EOS-3-51727,Cc1[nH]c(=O)c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cn5)n34)cc2)cc1Cl,LHPVYAVGBCCIRT-UHFFFAOYSA-N,3,1,0.287,32,479,481.903,4.825,6,0.383,0.6,0.997,0.3672297991912823,0.39675998903433624,0.72516448495648,0.7412103351380989,0.5575911520800494
EOS-3-51728,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccccc6)c5)n34)nc2)cs1,OEYINVJLDUHJNO-UHFFFAOYSA-N,3,1,0.276,93,737,446.539,5.952,6,0.335,0.72,1.0,0.04393975738468919,0.1111901171955315,0.614685422520732,0.6461774381468028,0.35399818381193887
EOS-3-51729,Cc1nc(-c2ncc(-c3nnc4cncc(OCCc5cncc(Cl)n5)n34)cc2Cl)cs1,TWQLVUPNMGSEEK-UHFFFAOYSA-N,3,1,0.449,20,279,485.36,4.337,5,0.35,0.68,1.0,0.6209821122609828,0.690502707148242,0.2133249948598451,0.3125042834624083,0.45932852443286953
EOS-3-51731,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cccc(C)n5)cn4)n23)cc1,FUTDBLNFVWGWOR-UHFFFAOYSA-N,3,1,0.4,14,886,406.493,4.65,5,0.425,0.78,1.0,0.22355390309094647,0.20349016517031046,0.4614060037009115,0.4140994448632719,0.32563737920636004
EOS-3-51732,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)cc5Cl)n34)nc2F)nn1C,GNQQQFTXHVBVJH-UHFFFAOYSA-N,3,1,0.392,31,814,482.882,3.843,5,0.339,0.59,1.0,0.5173223219793023,0.5323315742581043,0.4580220683983277,0.47971352203413065,0.49684737166746623
EOS-3-51733,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1F,UBEUBSAVARXVBH-UHFFFAOYSA-N,3,1,0.552,37,265,485.857,4.279,5,0.357,0.61,1.0,0.9391234322527585,0.9199934891371393,0.8651052018367487,0.8730467411417997,0.8993172160921117
EOS-3-51734,COc1nc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)ccc1-c1cscn1,UPSRIJNITZTMTA-UHFFFAOYSA-N,3,1,0.448,49,501,483.916,4.127,5,0.34,0.58,0.989,0.64983551504352,0.5989394147076965,0.4215869371530395,0.39515797409361936,0.5163799602494689
EOS-3-51735,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(F)nc5)n34)cn2)c(F)c1,WWRKBSHUVRHBGE-UHFFFAOYSA-N,3,1,0.37,96,46,404.355,4.333,5,0.419,0.87,1.0,0.3625265574669317,0.6613323281474882,0.9445205948872593,0.955434857103694,0.7309535844013433
EOS-3-51736,Fc1cnc(-c2cncc3nnc(-c4ccc(C(F)F)nn4)n23)c(OCc2ccc(F)c(F)c2)c1,RVRDCGVXTFSZEN-UHFFFAOYSA-N,3,1,0.366,45,315,485.376,4.577,5,0.325,0.69,0.432,0.5928740319374958,0.733028921938181,0.9458913028579261,0.9352511822356246,0.801761359742307
EOS-3-51737,Clc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nn2)ccn1,CWGCMGVKDGNWLF-UHFFFAOYSA-N,3,1,0.517,34,391,484.734,5.183,5,0.317,0.79,1.0,0.814705983140292,0.935165512987458,0.8578233157425811,0.9107840449592214,0.879619714207388
EOS-3-51738,Cc1ccc(C)c(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cccc(F)c6)nc5)n34)nc2)c1,VFVGLCKIZKOUJI-UHFFFAOYSA-N,3,1,0.386,32,20,473.515,5.733,6,0.325,0.72,1.0,0.24827804811184978,0.40181447467617026,0.7804211500239874,0.7693612500856692,0.5499687307244192
EOS-3-51739,Cn1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1-c1cccc2cccnc12,JTXUJGGMSVXHIG-UHFFFAOYSA-N,3,1,0.559,19,570,483.482,4.64,6,0.343,0.66,0.998,0.6042080734699472,0.509492152696868,0.7201528339387293,0.7436090740867658,0.6443655335480776
EOS-3-51740,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)nc2C)s1,MNNVRDOYPIYZLW-UHFFFAOYSA-N,3,1,0.388,31,602,482.932,4.131,5,0.356,0.57,1.0,0.5510160372832568,0.6085600712768144,0.20988965800836132,0.23153827702008087,0.40025101089712833
EOS-3-51741,Cc1ncnc(F)c1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(F)cn1,GDJAJRPLIBXSQX-UHFFFAOYSA-N,3,1,0.5,59,607,483.841,4.601,5,0.337,0.64,1.0,0.9464995545199095,0.9582362415187444,0.8849719004866013,0.8895894729627852,0.9198242923720101
EOS-3-51742,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)ccc2F)cn1,NWEXKOVPGYRZMD-UHFFFAOYSA-N,3,1,0.489,73,772,482.306,4.977,5,0.327,0.68,1.0,0.897616681516003,0.912343225275855,0.87487149612775,0.8840809403056679,0.892228085806319
EOS-3-51743,Fc1ccc(-c2cccc(-c3nnc4cncc(COc5ccc(Cl)c(F)c5)n34)c2)cc1F,QPQURJKYPISSLP-UHFFFAOYSA-N,3,1,0.473,57,853,466.85,6.108,5,0.314,0.81,1.0,0.7960043862655062,0.9254848879446234,0.9911846343636488,0.9954166952230827,0.9270226509492153
EOS-3-51744,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)ccc2F)nc1,DPURJCUPLLFODY-UHFFFAOYSA-N,3,1,0.547,73,325,483.841,4.336,5,0.332,0.61,1.0,0.9761154136111302,0.9764495236789802,0.8651137687615653,0.8798574463710507,0.9243840381056816
EOS-3-51745,Cc1nc(-c2ccc(F)c(F)c2)c(-c2nnc3cncc(-c4ccnc(-c5cnn(C)c5)n4)n23)s1,YVSCXWMNPZTHSC-UHFFFAOYSA-N,3,1,0.274,10,151,487.499,4.359,6,0.364,0.67,0.961,0.11615036666438215,0.26930128161195255,0.3438677952162292,0.395166541018436,0.28112149612774995
EOS-3-51746,Cc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3nn(C(F)F)cc3Cl)n12,ZUFZRXXDBNNBSZ-UHFFFAOYSA-N,3,1,0.436,26,460,484.898,4.367,5,0.341,0.64,1.0,0.48481940922486466,0.6134346514974984,0.6416198341443355,0.5836645877595779,0.5808846206565691
EOS-3-51747,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(F)cc5)n34)no2)n(C)n1,NBBQGIYCRWSEHS-UHFFFAOYSA-N,3,1,0.556,4,32,405.393,3.206,5,0.443,0.74,1.0,0.6835377972722911,0.6465201151394695,0.34783428140634637,0.31861250085669246,0.4991261736686999
EOS-3-51748,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(OCC(O)(F)c5ccc(F)cc5)c4)n23)cn1,YVWDHBDAGMANRG-UHFFFAOYSA-N,3,1,0.368,96,204,489.442,2.68,5,0.355,0.66,0.999,0.5671132890137757,0.5141182920978685,0.8919368103625522,0.8038431224727571,0.6942528784867383
EOS-3-51749,Cc1ncc(-c2cc(-c3nnc4cncc(Cc5ccc(C#N)cc5)n34)ccn2)nn1,GPAWLJFRCDNNIK-UHFFFAOYSA-N,3,1,0.357,85,740,405.425,2.809,5,0.448,0.67,1.0,0.26155678157768486,0.16064697416215476,0.39273353437050235,0.39221095195668565,0.3017870605167569
EOS-3-51750,Fc1cnc(F)c(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)c1,BHXBWRUMVHDDQH-UHFFFAOYSA-N,3,1,0.468,27,354,468.374,3.833,5,0.274,0.57,0.999,0.7560054142964842,0.8462751010897128,0.8735350558563498,0.8127013227331917,0.8221292234939347
EOS-3-51751,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ncnn4C)n23)cc1F,ULQLILGEBVFJBN-UHFFFAOYSA-N,3,1,0.465,36,610,405.397,2.038,5,0.441,0.69,1.0,0.5432201357000891,0.532340141182921,0.14754814611746966,0.1361027345624015,0.33980278939072034
EOS-3-51752,Cc1ccnc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)nc4)n23)n1,LNTGKOUPFUSFLL-UHFFFAOYSA-N,3,1,0.311,42,723,483.948,4.791,6,0.329,0.7,1.0,0.13272736618463438,0.3051452950448907,0.25964635734356795,0.33439277636899456,0.25797794873552193
EOS-3-51753,Fc1cccc(F)c1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cnc(Cl)nc5)c4)n23)cn1,UXVSMSUOVQJRPG-UHFFFAOYSA-N,3,1,0.306,10,673,487.861,4.428,6,0.339,0.7,1.0,0.019224179288602563,0.3296467000205606,0.8037317524501405,0.8388647111232952,0.4978668357206497
EOS-3-51754,Cc1ccc(-c2sc(C)cc2-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)cn1,WUNQRYMHZMPTNW-UHFFFAOYSA-N,3,1,0.466,27,69,483.479,4.919,5,0.35,0.69,1.0,0.5227794530875197,0.5233620039750532,0.8265968747858269,0.6283582345281338,0.6252741415941334
EOS-3-51755,COCc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)cn1,YOOUPCQZXDNVNP-UHFFFAOYSA-N,3,1,0.489,24,577,479.422,3.786,5,0.325,0.52,1.0,0.7410561304913988,0.7330374888629977,0.8502758549790967,0.7813206771297375,0.7764225378658077
EOS-3-51756,Fc1cccc(-c2ccncc2-c2nnc3cncc(-c4cc(-c5cncc(Cl)n5)cnn4)n23)c1,PIMCMOAUWYBOHD-UHFFFAOYSA-N,3,1,0.356,42,596,481.882,4.56,6,0.36,0.54,0.94,0.25881536563635116,0.37323521348776645,0.6940322801727092,0.7858354465081214,0.527979576451237
EOS-3-51757,Cc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cc5Cl)n34)c2)n(C)n1,PNTOBSNKUSYETI-UHFFFAOYSA-N,3,1,0.333,9,598,478.947,5.278,6,0.342,0.66,1.0,0.16549585360838873,0.28474744705640465,0.669565142896306,0.6924473990816257,0.4530639606606812
EOS-3-51758,N=c1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)ccc2Cl)n[nH]1,MYIIEAIHUUUTEH-UHFFFAOYSA-N,3,1,0.505,37,589,480.319,3.379,5,0.381,0.55,1.0,0.8603505585634981,0.8788465492426838,0.4580306353231444,0.5451733945582894,0.6856002844219039
EOS-3-51759,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)O)nc4)n23)cc1,DVWURWCETYOZQN-UHFFFAOYSA-N,3,1,0.304,0,862,400.398,2.444,5,0.527,0.92,1.0,0.18486567061887466,0.04177232540607224,0.0995048317455966,0.08514666575286135,0.1028223733808512
EOS-3-51760,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5cccc(F)n5)s4)n23)cn1,IOBBRRKVGUQUIR-UHFFFAOYSA-N,3,1,0.414,6,843,486.496,3.218,6,0.327,0.62,1.0,0.4486669864985265,0.4866441642108149,0.07816462202727709,0.0887790418751285,0.27556370365293675
EOS-3-51761,Fc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(F)F)c(Cl)c5)n34)n2)cc1,KZAMVQJVFVHMCU-UHFFFAOYSA-N,3,1,0.517,34,679,483.841,4.952,5,0.337,0.68,1.0,0.9102700294702214,0.955511959427044,0.927249674456857,0.9343773559043246,0.9318522548146119
EOS-3-51762,OCc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1Cl,DYRHNUCUSKEOAL-UHFFFAOYSA-N,3,1,0.506,90,555,403.229,2.959,4,0.547,0.75,1.0,0.7106778150914947,0.852768830100747,0.748038174216983,0.788139949283805,0.7749061921732575
EOS-3-51763,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3cncc(-c4cccc(Cl)c4)c3)n12,KYVBXFSFNVTWIH-UHFFFAOYSA-N,3,1,0.5,88,137,481.318,5.316,5,0.327,0.71,1.0,0.8226560893701597,0.8921852511822356,0.8786837776711671,0.9268555959152902,0.8800951785347131
EOS-3-51764,Clc1cnc(-c2nc(Cl)ccc2-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)nc1,ANJFTLQUTUNXLP-UHFFFAOYSA-N,3,1,0.494,55,775,485.722,4.578,5,0.333,0.68,1.0,0.8580374888629977,0.8589113151942979,0.5802206839832773,0.7171287094784456,0.7535745493797545
EOS-3-51765,FC(F)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(C(F)(F)F)cn5)nc4)n23)cc1,KTDBERLLOZQZDS-UHFFFAOYSA-N,3,1,0.518,27,676,485.376,5.392,5,0.308,0.86,0.996,0.9407854156671921,0.9142793502844219,0.9898481940922487,0.9730655883763965,0.9544946371050648
EOS-3-51766,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1cscn1,KAZNMZZFAURQQM-UHFFFAOYSA-N,3,1,0.426,49,501,483.916,4.127,5,0.34,0.58,0.974,0.6985213487766432,0.6225241587279831,0.4685508189980125,0.43923480227537526,0.5572077821945035
EOS-3-51767,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3ccc(C4CCOCC4)nc3)n12,FPTXWFGFAUAXFC-UHFFFAOYSA-N,3,1,0.505,97,656,482.519,4.86,6,0.342,0.72,1.0,0.504797477897334,0.39209101500925225,0.4614145706257282,0.5514786512233568,0.4774454286889178
EOS-3-51768,Clc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5nnc(Cl)o5)nn4)n23)c1,NDPCYDMTZMZZLD-UHFFFAOYSA-N,3,1,0.354,39,972,489.286,4.062,6,0.357,0.68,0.96,0.2510194640531835,0.3296552669453773,0.18902062915495854,0.3763792748954835,0.2865186587622507
EOS-3-51769,CCn1nc(-c2ccccc2Cl)nc1-c1cncc2nnc(-c3ccc(-c4cc(C)[nH]n4)cn3)n12,KPEYNQOMZOOROU-UHFFFAOYSA-N,3,1,0.326,10,979,482.939,4.484,6,0.385,0.57,0.383,0.09108354465081214,0.24895483517236652,0.10714652868206428,0.19914673428825988,0.16158291069837571
EOS-3-51770,Cn1cncc1-c1cc(-c2nnc3cncc(Oc4cc(F)cc(F)c4)n23)ccn1,OCTDTSOUSPTGPN-UHFFFAOYSA-N,3,1,0.5,13,110,405.368,3.657,5,0.454,0.75,1.0,0.5753375368377767,0.5141268590226852,0.7712374066205195,0.7514820779932835,0.6530459701185662
EOS-3-51771,Fc1ccnc(COc2cncc3nnc(-c4ccc(F)c(-c5nc[nH]n5)c4)n23)c1,USDIYFWEFSITCZ-UHFFFAOYSA-N,3,1,0.54,47,164,406.356,2.829,5,0.478,0.61,1.0,0.6623346583510383,0.6806507436090741,0.6350918374340346,0.6431276129120691,0.6553012130765541
EOS-3-51772,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)ccc1Cl,FZOYEVKRJHEXIT-UHFFFAOYSA-N,3,1,0.655,84,360,481.318,5.316,5,0.327,0.72,1.0,0.9491296004386266,0.9380182989514084,0.9220238503186896,0.9412480296072921,0.9376049448290041
EOS-3-51773,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ncnn4C(F)F)c(F)c3)n12,KUHDQOYGJIMJKT-UHFFFAOYSA-N,3,1,0.512,13,145,475.793,5.169,5,0.326,0.63,1.0,0.6985299157014598,0.8462836680145295,0.9511171269960935,0.952753409636077,0.86217103008704
EOS-3-51774,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5COCC5(C)C)cc4Cl)n23)cc1,VNFIHDYALKQZAH-UHFFFAOYSA-N,3,1,0.386,0,901,490.951,3.68,5,0.468,0.64,1.0,0.3556473168391474,0.21317935713796177,0.2629874580220684,0.23439106298403126,0.26655129874580225
EOS-3-51775,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc(Cl)n2)nc1,LJDNOSBFIDASER-UHFFFAOYSA-N,3,1,0.505,73,263,483.294,4.106,5,0.333,0.55,0.992,0.8537968610787472,0.8618583373312316,0.5272942224659036,0.6404290315948187,0.7208446131176753
EOS-3-51776,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)cc4Cl)n23)ccc1-c1cnc(C)o1,OSHOPNYCLQGQTO-UHFFFAOYSA-N,3,1,0.5,13,209,468.3,5.862,5,0.319,0.74,1.0,0.7168631348091289,0.6806593105338907,0.8799859502433006,0.8445188815022959,0.780506819272154
EOS-3-51777,FC(F)c1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)ccc1Cl,WCVNXBQQQFGHGK-UHFFFAOYSA-N,3,1,0.578,35,393,478.89,5.461,5,0.309,0.73,1.0,0.8959546981015695,0.9335634980467411,0.9504574737852101,0.9369988348982249,0.9292436262079363
EOS-3-51778,OCc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)c(F)c1,IRONZFOFDWZNQT-UHFFFAOYSA-N,3,1,0.488,90,708,403.776,3.189,4,0.551,0.73,1.0,0.8580460557878145,0.8760365979028168,0.9142108148858885,0.9162840106915222,0.8911443698170105
EOS-3-51779,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)c(Cl)c1,MTBJDKOQYJYLIH-UHFFFAOYSA-N,3,1,0.576,88,70,484.869,4.884,5,0.343,0.66,1.0,0.9316445068878075,0.9408967856898088,0.9264015489000068,0.9310619560002742,0.9325011993694743
EOS-3-51780,Fc1ccc(-c2nnc3cncc(OCc4cn(-c5ccccc5)nn4)n23)c(F)c1,KBNHHQMQYSZOIP-UHFFFAOYSA-N,3,1,0.699,34,612,405.368,3.229,5,0.447,0.74,1.0,0.3347611541361113,0.5370433829072716,0.6177695154547324,0.6748423685833733,0.5411041052703722
EOS-3-51781,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)cn2)n1,PRQBXVZLQNJATD-UHFFFAOYSA-N,3,1,0.557,87,579,405.447,2.358,5,0.457,0.75,1.0,0.5355270372147214,0.5052943595367007,0.025469467479953396,0.019301281611952572,0.27139803646083205
EOS-3-51782,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(CCc5ccc(F)c(F)c5)n4)n23)cn1,KDWDIIBCRJICKP-UHFFFAOYSA-N,3,1,0.453,14,358,476.918,5.197,5,0.337,0.66,1.0,0.5097405935165513,0.6806678774587074,0.8420516071550956,0.8601877869919814,0.7231619662805839
EOS-3-51783,Cn1nccc1-c1cccc(-c2nnc3cncc(OCc4cc(-c5ccccn5)ncc4F)n23)c1,ZSUOWZSEMSLHMG-UHFFFAOYSA-N,3,1,0.447,28,177,478.491,4.367,6,0.351,0.51,1.0,0.5510246042080734,0.4063977794530875,0.6474453430196696,0.5807089986978274,0.5463941813446646
EOS-3-51784,Clc1cc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(Cl)n4)n23)cs1,ZCBFZIVNFQYIRZ-UHFFFAOYSA-N,3,1,0.42,46,223,461.359,5.257,5,0.333,0.64,1.0,0.609682338427798,0.6269703927078336,0.5172966212048523,0.622729764923583,0.5941697793160168
EOS-3-51785,CCc1nc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)cc2Cl)cs1,MHTDIPZWTVZROF-UHFFFAOYSA-N,3,1,0.654,4,92,453.98,5.771,5,0.326,0.76,1.0,0.48721814817353165,0.6952316496470426,0.4580392022479611,0.4981324103899664,0.5346553526146255
EOS-3-51786,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cn4)n23)cn1,HCYOBZXXJMQDSX-UHFFFAOYSA-N,3,1,0.373,52,229,494.515,2.791,6,0.363,0.86,0.934,0.06365225138784182,0.0010023302035501336,0.009791995065451305,0.01520629154958536,0.022413217051607155
EOS-3-51787,COc1cc(-c2cc(C(F)(F)F)cnc2F)ccc1-c1cncc2nnc(-c3cnc(C)nc3)n12,AIGDBAFQBPWQNH-UHFFFAOYSA-N,3,1,0.341,82,478,481.413,4.785,5,0.269,0.76,1.0,0.5671218559385923,0.584821122609828,0.9775203892810637,0.929931121924474,0.7648486224384895
EOS-3-51788,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)cn1,NWZKUJCIOFIRDS-UHFFFAOYSA-N,3,1,0.462,28,247,484.52,4.428,6,0.345,0.63,1.0,0.7321807963813309,0.6085686382016311,0.5135614419847851,0.455152148584744,0.5773657562881228
EOS-3-51789,Cn1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(-c6ccncc6)c5)n34)nc2)cn1,JSGDVRWCEZZINE-UHFFFAOYSA-N,3,1,0.422,41,318,480.919,5.095,6,0.339,0.69,1.0,0.5281509149475704,0.6660784044959221,0.7827427866493044,0.7539921869645672,0.6827410732643411
EOS-3-51791,FC(F)Oc1ccc(-c2nnc3cncc(-c4cc(-c5cccnc5)no4)n23)cc1,PRPNZPGXGSXCQD-UHFFFAOYSA-N,3,1,0.5,96,121,406.352,4.11,5,0.434,0.76,1.0,0.41628401069152215,0.5187701322733191,0.8735436227811665,0.8499931464601467,0.6646477280515386
EOS-3-51792,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccnc(Cl)c5)c4)n23)c1,WVFOMZXFWXOJRO-UHFFFAOYSA-N,3,1,0.511,75,278,482.306,4.711,5,0.324,0.61,1.0,0.9305308066616408,0.9012833253375369,0.817541635254609,0.8584315674045645,0.8769468336645878
EOS-3-51793,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cc5Cl)n34)cc2)cs1,YSJTXRCBBATJCJ-UHFFFAOYSA-N,3,1,0.377,62,302,486.988,5.436,6,0.357,0.82,1.0,0.19889829346857651,0.2795387567678706,0.4139880748406552,0.5116681516003015,0.3510233191693509
EOS-3-51794,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]c(C(F)F)n5)cc4F)n23)cc1,HQJAREWYABEZCD-UHFFFAOYSA-N,3,1,0.31,9,98,487.449,4.721,6,0.378,0.69,0.998,0.20157117401137686,0.34446747995339594,0.810011308340758,0.7644095675416352,0.5301148824617915
EOS-3-51795,FCc1cnc(CCOc2cncc3nnc(-c4csc(-c5cscn5)c4)n23)c(Cl)n1,AIQUIDUNLAKPJP-UHFFFAOYSA-N,3,1,0.468,65,579,473.946,4.511,5,0.343,0.55,1.0,0.5510331711328902,0.4690048660132959,0.16010725789870467,0.24031937495716538,0.355116167500514
EOS-3-51796,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)nc4)n23)c(Cl)n1,RJODYOYQDWBDMR-UHFFFAOYSA-N,3,1,0.489,65,262,468.308,3.305,5,0.276,0.52,1.0,0.7260897128366801,0.6182321293948324,0.22739188540881367,0.284918785552738,0.464158128298266
EOS-3-51797,Fc1cnc(F)c(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)c1,VWPLQQNZMWYNKM-UHFFFAOYSA-N,3,1,0.557,88,153,482.853,4.941,5,0.319,0.66,1.0,0.9327582071139744,0.8760451648276335,0.9486498526488931,0.9540984168322939,0.9278879103556987
EOS-3-51798,Fc1cc(-c2cccc(Cl)n2)ccc1-c1nnc2cncc(Oc3ccccc3Cl)n12,ISNYIWQVKNCUSC-UHFFFAOYSA-N,3,1,0.427,57,480,452.276,6.092,5,0.309,0.8,1.0,0.8326451237063943,0.920002056061956,0.9537043382907272,0.9733996984442465,0.919937804125831
EOS-3-51799,Cc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc(-c2cncc(Cl)c2)n1,ZNIZCMVMMCEJEH-UHFFFAOYSA-N,3,1,0.463,87,173,478.343,4.88,5,0.321,0.61,1.0,0.7530840929340004,0.759594955794668,0.617778082379549,0.67485093550819,0.7013270166541019
EOS-3-51800,COc1c(F)cncc1COc1cncc2nnc(-c3ccc(-c4cc(F)ccn4)nc3Cl)n12,LKBUKNGKPQAPJA-UHFFFAOYSA-N,3,1,0.462,24,28,481.85,4.163,5,0.333,0.58,1.0,0.842222945651429,0.7810122678363375,0.752758549790967,0.7198615584949627,0.773963830443424
EOS-3-51801,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(F)cc4F)n23)cn1,ZKOATIDEDRWVBQ-UHFFFAOYSA-N,3,1,0.471,13,374,405.368,3.657,5,0.454,0.73,1.0,0.49985436227811664,0.6516088684805702,0.7406363511753821,0.7146271674319786,0.6516816873415119
EOS-3-51802,Cc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1Cl,SCTMMLZTSPABKP-UHFFFAOYSA-N,3,1,0.57,11,595,477.355,5.485,5,0.301,0.73,1.0,0.9528819135083271,0.9627424439723117,0.8037403193749572,0.8286615036666438,0.8870065451305599
EOS-3-51803,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncccc5-c5nn[nH]n5)nc4)n23)cc1F,YTTIWDXNXSVPHD-UHFFFAOYSA-N,3,1,0.293,96,802,493.466,2.594,6,0.369,0.8,0.999,0.2990970461243232,0.27954732369268726,0.2668168734151189,0.24032794188198203,0.2714472962785278
EOS-3-51804,Fc1cc(F)cc(-c2nnc3cncc(OCc4ncn(-c5ccccc5)n4)n23)c1,PXVZXHVOORDSID-UHFFFAOYSA-N,3,1,0.568,34,612,405.368,3.229,5,0.447,0.72,1.0,0.34664347885682956,0.36357172229456514,0.5605681584538414,0.6227383318483997,0.4733804228634089
EOS-3-51805,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4nnc(-c5ccc(F)nc5)o4)n23)cc1,UXCVSKGLOXRAMB-UHFFFAOYSA-N,3,1,0.406,64,27,485.414,3.551,6,0.323,0.63,0.999,0.6070094578849976,0.5554537043382908,0.32564594613117676,0.38919539442121853,0.4693261256939209
EOS-3-51806,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cn4)n23)cn1,SRJOPZBLLRTCIB-UHFFFAOYSA-N,3,1,0.337,63,175,400.402,1.193,5,0.544,0.86,0.994,0.06941779178945925,0.032117401137687615,0.001610581865533548,0.001696251113700226,0.02621050647659516
EOS-3-51807,Clc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5cccc(Cl)c5)[nH]4)n23)cc1,XUTQXGXJUAPQAJ-UHFFFAOYSA-N,3,1,0.337,3,192,486.326,5.007,6,0.373,0.72,0.861,0.24272668083064902,0.41125522582413815,0.6146939894455486,0.8038516893975739,0.5181318963744774
EOS-3-51808,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccc5)cs4)n23)cn1,WEMOXPFWQWRLGS-UHFFFAOYSA-N,3,1,0.41,28,363,480.557,4.772,6,0.325,0.66,1.0,0.3488794462339799,0.26930984853676926,0.22031560551024604,0.19915530121307656,0.259415050373518
EOS-3-51809,Cc1csc(COc2cncc3nnc(-c4ccc(-c5noc(C)n5)nc4)n23)n1,HWXKWRMXGUAYSM-UHFFFAOYSA-N,3,1,0.466,7,464,406.431,2.889,5,0.434,0.74,1.0,0.3246179151531766,0.3635802892193818,0.023421972448769788,0.013167363443218422,0.18119688506613665
EOS-3-51810,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)c(C)n2)ccc1F,KUTZEIMDEOOFIY-UHFFFAOYSA-N,3,1,0.483,59,89,479.878,4.771,5,0.335,0.6,1.0,0.8492563909259132,0.8358662874374615,0.759260845726818,0.7224230690151463,0.7917016482763348
EOS-3-51811,N#Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)n1,RKEGJVBDHPELGD-UHFFFAOYSA-N,3,1,0.429,1,347,405.421,3.699,5,0.439,0.73,1.0,0.46249400315262834,0.4513484339661435,0.5930796381330957,0.5836731546843945,0.5226488074840656
EOS-3-51812,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)n2)o1,LTCWEWBEYCKZHA-UHFFFAOYSA-N,3,1,0.472,40,25,482.529,4.556,6,0.337,0.66,1.0,0.407391542731821,0.39209958193406896,0.23470803920224795,0.16128092659858817,0.29887002261668155
EOS-3-51813,Clc1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)ccn2)ccn1,QKJGTJZGDGWJHV-UHFFFAOYSA-N,3,1,0.478,77,323,482.891,4.531,6,0.315,0.63,1.0,0.8068672469330409,0.7003975053114934,0.6530566787745871,0.6227468987732163,0.6957670824480844
EOS-3-51814,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)c5)n34)cc(Cl)n2)c1,OCKVOPHIVIEOSK-UHFFFAOYSA-N,3,1,0.483,55,89,473.32,5.335,5,0.321,0.67,1.0,0.8301178808854773,0.8135922829141251,0.8735521897059831,0.9062435748063875,0.8558764820779932
EOS-3-51815,Cc1nc(-c2ccnc(F)c2)c(-c2nnc3cncc(Cc4cnc(C(F)(F)F)nn4)n23)s1,WDUPSWJAHFBWQL-UHFFFAOYSA-N,3,1,0.299,85,362,473.419,3.552,5,0.288,0.57,1.0,0.1989068603933932,0.2640754574737852,0.41399664176547185,0.3535826879583305,0.30764041189774516
EOS-3-51816,COc1cc(-c2nnc3cncc(-c4cccc(-c5ccc(F)c(F)c5)c4)n23)ccc1Cl,NHGDLYAEMDDEEE-UHFFFAOYSA-N,3,1,0.374,83,853,448.86,6.066,5,0.335,0.73,1.0,0.6985384826262765,0.8813480912891508,0.9868497704064149,0.9895569186484819,0.8890733157425811
EOS-3-51817,C#Cc1ncc(COc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)cn1,JKRDAAPNJMKLSZ-UHFFFAOYSA-N,3,1,0.476,16,921,406.409,2.599,5,0.41,0.65,1.0,0.5983996984442465,0.4646614351312453,0.314654581591392,0.237492289767665,0.4038020012336372
EOS-3-51818,COc1ncc(Cl)nc1-c1cc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc(C)n1,NGYUJAMMYZDKQO-UHFFFAOYSA-N,3,1,0.327,85,81,479.331,4.253,5,0.345,0.59,0.78,0.4302823658419574,0.4961448838324995,0.3554074429442807,0.382658830786101,0.41612338085120965
EOS-3-51819,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5F)n34)cn2)c1,CABYDUYMUZLEEW-UHFFFAOYSA-N,3,1,0.367,69,192,451.436,6.059,6,0.326,0.77,1.0,0.280224110753204,0.4203532999794394,0.9493009389349599,0.9604379411966281,0.6525790727160579
EOS-3-51820,C#Cc1ncc(-c2nnc3cncc(Oc4ccc(-c5cccc(C)c5)cn4)n23)cn1,GKKKPUAHWWEGBN-UHFFFAOYSA-N,3,1,0.36,82,412,405.421,3.725,5,0.421,0.76,1.0,0.4512027962442602,0.3444760468782126,0.5273027893907203,0.43626207936399153,0.43981092796929616
EOS-3-51821,Fc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)s2)cn1,UZLLTEMBADSZJT-UHFFFAOYSA-N,3,1,0.517,59,89,473.32,5.335,5,0.321,0.7,1.0,0.8017956274415736,0.9123517922006716,0.8037488862997738,0.8714361592762662,0.8473331163045713
EOS-3-51822,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccnc(-c5nnc6ccccn56)c4)n23)c(F)c1,IDCNYFCZVYXJIV-UHFFFAOYSA-N,3,1,0.311,42,693,488.49,4.103,7,0.367,0.67,1.0,0.23473373997669797,0.25387225001713387,0.4254249194709067,0.47672366527311355,0.347688643684463
EOS-3-51823,COc1ncc(-c2cc(-c3nnc4cncc(OCc5cncnc5F)n34)cc(Cl)c2F)cn1,DXPCIFHPDAFXSP-UHFFFAOYSA-N,3,1,0.462,2,817,482.838,3.558,5,0.335,0.54,1.0,0.9055239531217874,0.8060019875265575,0.7569991775752176,0.6867418271537249,0.7888167363443219
EOS-3-51824,Clc1cccc(-n2cnc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)n2)c1Cl,HSWWNPVALUDAKV-UHFFFAOYSA-N,3,1,0.258,10,871,487.314,4.198,6,0.364,0.61,0.212,0.042526214789939,0.16065554108697142,0.3702710575011994,0.5613134809128915,0.2836915735727503
EOS-3-51825,FCc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cscn5)s4)n23)c1,UFXKAPYYLZMXJD-UHFFFAOYSA-N,3,1,0.289,76,176,471.546,5.57,6,0.327,0.68,1.0,0.11887464875608252,0.17277773970255636,0.40016105818655334,0.4583990130902611,0.2875531149338633
EOS-3-51826,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5nccs5)n[nH]4)n23)nn1,DSDDBSWFMBVWAJ-UHFFFAOYSA-N,3,1,0.347,53,411,457.483,2.407,6,0.399,0.39,0.187,0.19891542731820985,0.1942978548420259,0.03096943321225413,0.02330203550133644,0.11187118771845658
EOS-3-51827,Cc1ncc(-c2cc(Cl)ccc2-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)n1C,LCYIXTGFGTWRPB-UHFFFAOYSA-N,3,1,0.319,10,118,485.914,4.54,6,0.364,0.62,0.998,0.04394832430950586,0.32069426358714276,0.5065708313343842,0.5957953532999795,0.3667521931327531
EOS-3-51828,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(-c5ccc(Cl)nn5)c4)n23)c(Cl)n1,MUBOQTFUHIALAH-UHFFFAOYSA-N,3,1,0.349,14,319,491.342,3.901,5,0.371,0.7,1.0,0.27454423959975327,0.2589353025837845,0.38546021520115137,0.442490233705709,0.34035749777259955
EOS-3-51829,Cn1nncc1-c1ccc(-c2nnc3cncc(Oc4cccc(F)c4F)n23)cc1,YHBWMDYGVNLGNF-UHFFFAOYSA-N,3,1,0.512,13,15,405.368,3.657,5,0.454,0.71,1.0,0.4848279761496813,0.5848296895346446,0.7952162291823727,0.7763946953601535,0.6603171475567131
EOS-3-51830,CCc1cc(-c2cnc(C)s2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,VEFRJAQQHQJXLC-UHFFFAOYSA-N,3,1,0.422,18,578,477.981,4.851,5,0.309,0.64,1.0,0.462502570077445,0.5053029264615174,0.3036375162771571,0.27894763895552055,0.38759766294291004
EOS-3-51831,O=C(O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cc1,GJICJSLZHZKVMP-UHFFFAOYSA-N,3,1,0.438,66,455,400.32,2.889,4,0.561,0.84,1.0,0.34418477143444587,0.2693184154615859,0.865122335686382,0.6546672606401206,0.5333231958056336
EOS-3-51832,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4Cl)n23)c1,QSZMSDBAWJQLIL-UHFFFAOYSA-N,3,1,0.5,26,438,480.359,4.998,5,0.305,0.65,1.0,0.6237577959015832,0.6085772051264479,0.6416284010691522,0.6719124802960729,0.636468970598314
EOS-3-51833,Fc1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ccccc5F)cc4F)n23)n1,LBTYBDAKIZPWJF-UHFFFAOYSA-N,3,1,0.5,57,671,467.838,5.503,5,0.319,0.69,1.0,0.869251593448016,0.9582448084435611,0.9673257487492289,0.9783342471386471,0.9432890994448633
EOS-3-51834,COc1cccc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c(C)s2)n1,YVSQATWLSWQZFO-UHFFFAOYSA-N,3,1,0.522,59,268,482.928,4.998,5,0.336,0.7,1.0,0.7875316976218216,0.8675125077102324,0.44368960318004247,0.4362706462888082,0.6337511137002262
EOS-3-51836,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)c1,QPYCOZROTLTDOC-UHFFFAOYSA-N,3,1,0.551,11,595,481.318,5.316,5,0.306,0.73,1.0,0.9772890823110136,0.9709752587211294,0.8786923445959838,0.9139880748406553,0.9352361901171955
EOS-3-51837,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ccccc1,LEJRSOZDRGGKTL-UHFFFAOYSA-N,3,1,0.539,91,955,475.911,5.276,5,0.298,0.67,1.0,0.9589815639777945,0.9200106229867727,0.8813223905147008,0.8549533959289973,0.9038169933520663
EOS-3-51838,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnnn5CCl)cc4F)n23)cn1,WHGVMETZIUZZAO-UHFFFAOYSA-N,3,1,0.289,98,314,486.902,3.848,6,0.341,0.65,1.0,0.20157974093619355,0.34448461380302925,0.4363306147625248,0.4797220889589473,0.3655292646151737
EOS-3-51839,COCc1cc(-c2cc(C)[nH]n2)cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c1,IERVJUDYAQTQEI-UHFFFAOYSA-N,3,1,0.454,16,214,479.903,4.403,5,0.345,0.57,1.0,0.6714241655815228,0.5233705708998698,0.8211568775272429,0.7361044479473648,0.688014015489
EOS-3-51840,Fc1cncc(-c2cnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2Cl)c1,HRZJZVJPPVXHSE-UHFFFAOYSA-N,3,1,0.595,84,222,481.318,5.316,5,0.327,0.68,1.0,0.8832156808991845,0.8589198821191145,0.9001267904872867,0.9386522513878418,0.8952286512233568
EOS-3-51841,Clc1nsc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1Cl,OLPVDFHSHBSICH-UHFFFAOYSA-N,3,1,0.538,97,666,461.359,5.257,5,0.356,0.61,1.0,0.6381159618943184,0.6952402165718594,0.49938318141319993,0.6404375985196354,0.6182942395997533
EOS-3-51842,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c(F)c2)ns1,FUGDVVKWTUADRL-UHFFFAOYSA-N,3,1,0.506,37,563,486.895,3.961,5,0.355,0.64,1.0,0.6956171612637927,0.8252690014392434,0.347842848331163,0.43316085258035775,0.5754724659036392
EOS-3-51843,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(OCCc5nc(Cl)ncc5F)n34)cn2)s1,HSGMIQUNMLXFCO-UHFFFAOYSA-N,3,1,0.459,87,579,482.932,4.131,5,0.333,0.63,1.0,0.6682715372489891,0.7810208347611541,0.13544308135151806,0.15310808032348708,0.4344608834212871
EOS-3-51844,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncccn6)cn5)n34)cc2Cl)cn1,WDBQLUQNJTVMHI-UHFFFAOYSA-N,3,1,0.35,42,106,480.894,5.165,6,0.321,0.67,1.0,0.39230518812966897,0.5053114933863341,0.8037574532245905,0.8366887122198615,0.6345157117401138
EOS-3-51846,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cn2)n1,YPILKSJZVAOMCV-UHFFFAOYSA-N,3,1,0.532,65,981,406.431,2.623,5,0.419,0.75,1.0,0.47490747721198,0.4018230416009869,0.03483311630457131,0.027808237954903708,0.2348429682681105
EOS-3-51847,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)cc2F)nc1,VJEHOTUXZBVBDS-UHFFFAOYSA-N,3,1,0.552,73,325,483.841,4.336,5,0.332,0.6,1.0,0.9756956342951134,0.9764580906037968,0.8680179562744157,0.8770988965800837,0.9243176444383524
EOS-3-51848,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3cccc(-c4ccno4)n3)n12,IFKRCOIEABCXMS-UHFFFAOYSA-N,3,1,0.517,41,667,470.489,5.288,6,0.327,0.66,1.0,0.6498440819683367,0.70040607223631,0.6994808443561099,0.6808049482557741,0.6826339867041327
EOS-3-51849,Fc1ccccc1-c1nn2ccccc2c1-c1cncc2nnc(-c3ccc(-c4cncnc4)cn3)n12,QKNBDKFAMBFYDU-UHFFFAOYSA-N,3,1,0.297,30,696,485.486,4.764,7,0.354,0.66,0.996,0.12688472345966692,0.30020217942567334,0.5898070728531286,0.6778579261188403,0.42368797546432724
EOS-3-51850,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(C(F)F)c(-c4ccnnc4)c3)n12,YTJHQERXJFMYHU-UHFFFAOYSA-N,3,1,0.506,13,145,468.826,5.771,5,0.326,0.68,1.0,0.885211774381468,0.9394832430950586,0.9865584949626482,0.984990747721198,0.9490610650400932
EOS-3-51851,CCc1nc(C)nc(C)c1-c1ccc(-c2cncc3nnc(-c4cnc(C(F)F)cc4C)n23)cn1,DOSQXUMBGYUAMK-UHFFFAOYSA-N,3,1,0.283,82,974,472.503,5.131,5,0.35,0.57,0.894,0.3246264820779933,0.3635888561441985,0.4140052086902885,0.30954012747584125,0.35294016859708044
EOS-3-51852,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)cc(Cl)n2)c1F,HDGDQJZSYBTMRB-UHFFFAOYSA-N,3,1,0.539,88,429,469.904,5.468,5,0.309,0.68,1.0,0.9279350284421904,0.9012918922623535,0.9056524569940374,0.9184000411212391,0.913319854704955
EOS-3-51853,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)s1,GHIUUIXREJQKFG-UHFFFAOYSA-N,3,1,0.537,72,506,407.484,3.654,5,0.439,0.68,1.0,0.3945240216571859,0.36359742306901516,0.0944760468782126,0.09265129189226236,0.23631219587416902
EOS-3-51854,COc1cc(-c2cc(C)ncn2)ccc1-c1nnc2cncc(OCCc3ncsc3Cl)n12,YRYLCDCMYJONLG-UHFFFAOYSA-N,3,1,0.484,15,771,479.953,4.297,5,0.34,0.56,1.0,0.5535946816530738,0.5743352066342265,0.30364608320197384,0.25514872181481735,0.4216811733260229
EOS-3-51855,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4ncc(-c5cccnn5)s4)n23)cc1,OWAPAPXJYXYETK-UHFFFAOYSA-N,3,1,0.427,64,449,483.492,3.88,6,0.348,0.61,0.999,0.4998629292029333,0.5095007196216846,0.20269344116236035,0.26992666712356933,0.37049593927763697
EOS-3-51856,N#Cc1ncc(-c2nnc3cncc(OCc4nccnc4-c4ccnnc4)n23)cn1,VJTYETQFOXBMAR-UHFFFAOYSA-N,3,1,0.402,92,48,409.373,1.279,5,0.412,0.55,1.0,0.41629257761633887,0.3589370159687479,0.09679768350352957,0.08693715303954493,0.23974110753204034
EOS-3-51857,N#Cc1ncc(COc2cncc3nnc(-c4cccc(-c5cc(-c6ncccn6)cnn5)c4)n23)cn1,GBYDPMGKTGUUAT-UHFFFAOYSA-N,3,1,0.4,40,247,485.471,2.946,6,0.342,0.53,1.0,0.6321362483722843,0.5554622712631074,0.31076519772462474,0.26111986841203483,0.43987089644301286
EOS-3-51858,Clc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)n6)nc5)n34)cn2)nn1,HKYUEZYUEFCKDO-UHFFFAOYSA-N,3,1,0.3,10,664,487.314,4.198,6,0.34,0.66,0.204,0.007598862312384346,0.15686039339318758,0.4508429854019601,0.5772051264478103,0.2981268418888356
EOS-3-51859,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)F)cn5)n34)[nH]c(=N)n2)s1,XBGFGRXQQYGEQU-UHFFFAOYSA-N,3,1,0.4,27,69,467.465,3.337,5,0.392,0.5,0.999,0.24828661503666644,0.18561099307792475,0.4751302172572133,0.35359125488314713,0.3156547700637379
EOS-3-51860,Cc1ncc(-c2ncc(Oc3cncc4nnc(-c5ccc(C(=O)NCCF)c(F)c5)n34)nn2)nn1,PKUVDJISZHBDMF-UHFFFAOYSA-N,3,1,0.361,36,413,491.422,1.767,5,0.353,0.68,0.997,0.4697930230964293,0.2286340895072305,0.05934308820505791,0.046783976423822905,0.20113854430813516
EOS-3-51861,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)s1,RQHYTUIGPRTTBN-UHFFFAOYSA-N,3,1,0.543,15,655,453.98,5.56,5,0.336,0.65,1.0,0.7410646974162155,0.7810294016859708,0.5509218011102734,0.5677301076005757,0.6601865019532589
EOS-3-51862,CCc1nc(-c2nnc3cncc(OCCc4cc(F)ncc4Cl)n23)ccc1-c1cncn1C,MHQZMXHEQCEBQK-UHFFFAOYSA-N,3,1,0.426,31,690,478.919,3.958,5,0.327,0.54,0.915,0.5330426290178878,0.5605852923034748,0.42159550407785623,0.41086114728257145,0.48152114317044753
EOS-3-51864,Clc1cccc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ccc2Cl)n1,FVVFMQOTSLESDM-UHFFFAOYSA-N,3,1,0.638,4,31,454.342,5.801,5,0.314,0.74,1.0,0.8121530395449249,0.9218439448975396,0.8532914125145638,0.8991244602837366,0.8716032143101912
EOS-3-51865,CONC(=N)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5C#N)cc4)n23)cc1,MALCMJAZGIVFHG-UHFFFAOYSA-N,3,1,0.349,62,472,445.486,4.473,5,0.234,0.8,1.0,0.40740010965663764,0.26932698238640257,0.8467462819546295,0.7361130148721815,0.5648965972174629
EOS-3-51866,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccnc(Cl)c5)n4)n23)cc1F,BICVHJLAOOLTDP-UHFFFAOYSA-N,3,1,0.43,16,788,490.886,3.374,5,0.36,0.68,1.0,0.5899355767253787,0.5007281886094168,0.5475721335069563,0.4888715646631485,0.5317768658762251
EOS-3-51867,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(=O)[nH]c5)n4)n23)o1,XINNNCAJTXGDOQ-UHFFFAOYSA-N,3,1,0.371,44,122,485.439,2.648,6,0.377,0.56,0.995,0.28290555822082103,0.27955589061750397,0.25588547734905076,0.23154684394489755,0.26247344253306837
EOS-3-51868,CCc1nc(-c2nnc3cncc(Oc4cc(C)ccn4)n23)ccc1-c1nc(C)c(Cl)nc1C,AOEIIRHVQKYJTE-UHFFFAOYSA-N,3,1,0.298,31,690,472.94,4.972,5,0.353,0.59,0.894,0.49460283736549926,0.5007367555342335,0.11844630251524912,0.10072133506956343,0.3036268076211363
EOS-3-51869,CCc1nc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)ccc1-c1nc(C)c(OC)[nH]1,KDGCKDQEQKSBAT-UHFFFAOYSA-N,3,1,0.362,31,690,477.916,3.478,5,0.35,0.55,0.025,0.39663148516208624,0.43397471043794117,0.08022925090809403,0.046792543348639574,0.23940699746419028
EOS-3-51870,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)c(Cl)n1,DRKYNUYLBAMYKM-UHFFFAOYSA-N,3,1,0.472,58,795,483.294,4.106,5,0.333,0.56,1.0,0.8794548009046672,0.8731409773147831,0.4104413679665547,0.5514872181481736,0.6786310910835447
EOS-3-51871,Cc1ccc(-c2nnc3cncc(-c4cc(F)c(C)cc4OC4CCOC4)n23)cn1,SESFUJJZCOVFQR-UHFFFAOYSA-N,3,1,0.347,63,688,405.433,3.777,5,0.514,0.68,0.99,0.3879274895483517,0.41126379274895486,0.5802292509080941,0.5645432115687753,0.48599093619354405
EOS-3-51872,Clc1ccc(COc2cncc3nnc(-c4cc(-c5cn[nH]c5)cnn4)n23)nc1,PDZBBFBRRKDDGC-UHFFFAOYSA-N,3,1,0.446,53,182,405.809,2.599,5,0.473,0.63,0.998,0.40301384415050373,0.47800870399561374,0.36644164210814884,0.42051607155095605,0.4169950654513056
EOS-3-51873,Cc1cc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)sc1F,ZHCLYKKENNEMMJ-UHFFFAOYSA-N,3,1,0.467,24,786,452.902,4.99,5,0.349,0.56,0.989,0.6558152285655541,0.7810379686107874,0.6752707148242068,0.6661212391200055,0.6945612877801385
EOS-3-51874,CCn1nc(-c2cc(C)nn2C)cc1COc1cncc2nnc(-c3ccc(C(F)(F)F)nn3)n12,DERGKWFATNHEHB-UHFFFAOYSA-N,3,1,0.371,53,105,484.446,3.104,5,0.361,0.53,1.0,0.2802326776780207,0.2847560139812213,0.3400897813720787,0.19380097320265918,0.2747198615584949
EOS-3-51875,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)c(C)n2)cn1,POUQQROZQVVMFP-UHFFFAOYSA-N,3,1,0.506,7,567,489.337,3.997,5,0.365,0.67,1.0,0.502295935850867,0.564962990884792,0.30715852237680763,0.2315554108697142,0.4014932149955452
EOS-3-51876,Cc1nc(-c2cncc(-c3nnc4cncc(Cc5ccc(Cl)nc5)n34)c2)no1,LXSINZCQHCWPJF-UHFFFAOYSA-N,3,1,0.33,85,131,404.821,3.184,5,0.42,0.77,1.0,0.16806593105338907,0.2693355493112192,0.2452624905763827,0.2937341511890892,0.24409953053252004
EOS-3-51877,Fc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccccc5)c4)n23)ccc1Cl,KKZBUNGQRWNJLI-UHFFFAOYSA-N,3,1,0.684,57,709,466.303,5.878,5,0.303,0.77,1.0,0.9779401685970804,0.9564971557809608,0.9557261325474607,0.970058597765746,0.9650555136728121
EOS-3-51878,Clc1cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6cc[nH]n6)cc5)n34)n2)nc(Cl)n1,URDOUCWZDPQNOR-UHFFFAOYSA-N,3,1,0.284,98,973,477.279,2.921,6,0.3,0.57,1.0,0.02905044205332054,0.1606641080117881,0.10988794462339799,0.2460078130354328,0.13640257693098484
EOS-3-51879,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5nccs5)n34)c2)nn1,OMBVWESGSUDKCK-UHFFFAOYSA-N,3,1,0.633,72,506,405.418,3.423,5,0.442,0.72,1.0,0.46507264752244537,0.5554708381879241,0.3629377698581317,0.3666643821533822,0.43753640943047084
EOS-3-51880,Fc1cc(Cl)c(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc1-c1ccncn1,CBXZXHUOBSYATH-UHFFFAOYSA-N,3,1,0.5,4,71,473.32,5.335,5,0.343,0.64,1.0,0.7987372352820231,0.8704937975464327,0.8836868617641012,0.9129257761633884,0.8664609176889864
EOS-3-51881,c1c[nH]c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)nc2)n1,DHASRTCQNHFHRO-UHFFFAOYSA-N,3,1,0.297,38,479,406.409,3.898,6,0.473,0.65,1.0,0.13273593310945103,0.1379274895483517,0.43633918168734154,0.4108697142073881,0.2794680796381331
EOS-3-51882,Cc1cc(-c2nnc3cncc(Cc4cc(-c5cnccc5C(F)(F)F)cnn4)n23)ccc1Cl,ZPPBXEQSRYOPNZ-UHFFFAOYSA-N,3,1,0.333,14,476,481.869,5.215,5,0.35,0.66,1.0,0.46251113700226165,0.5897899390034953,0.9802532382975807,0.9680796381330957,0.7501584881091083
EOS-3-51883,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cc(C)nn5C)cnc4F)n23)cc1F,NMPJSJUUVDYBOD-UHFFFAOYSA-N,3,1,0.439,89,788,490.474,3.112,5,0.364,0.69,0.99,0.5330511959427044,0.3538653964772805,0.537317524501405,0.3795490370776506,0.45094578849976014
EOS-3-51884,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,FTCPCWNHJYVZQK-UHFFFAOYSA-N,3,1,0.691,88,876,480.906,5.228,5,0.319,0.7,1.0,0.9583047769172778,0.9163782468645055,0.8748800630525666,0.8699626482077993,0.9048814337605373
EOS-3-51885,COc1cc(-c2cnc(C)c(F)c2)ccc1-c1nnc2cncc(Cc3ccc(F)c(Cl)c3)n12,XGQXKMOIBNSAIF-UHFFFAOYSA-N,3,1,0.388,14,358,477.902,5.693,5,0.325,0.75,1.0,0.6070180248098143,0.6755619902679734,0.9593927763689946,0.9468250976629429,0.7971994722774314
EOS-3-51886,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC6(CO)CC6O5)nn4)n23)cn1,IGVNHMSESUQHPO-UHFFFAOYSA-N,3,1,0.304,63,66,459.426,-0.119,6,0.409,0.47,0.014,0.1032314440408471,0.10132958673154685,0.009020971831951203,0.018701596874785828,0.05807089986978274
EOS-3-51887,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C)c5)n34)c(Cl)c2)o1,ANGGMRRJTXPCRG-UHFFFAOYSA-N,3,1,0.46,13,145,452.301,6.162,5,0.325,0.78,1.0,0.8199489411280927,0.797554999657323,0.8895038037146186,0.8882187649921184,0.8488066273730381
EOS-3-51888,Cn1cc(-c2nc(-c3ncon3)ccc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cn1,TYSLYCCWXKXQQR-UHFFFAOYSA-N,3,1,0.398,51,48,487.871,2.659,6,0.341,0.65,0.987,0.42324035364265644,0.42036186690425603,0.08760537317524501,0.09869097388801316,0.25747464190254266
EOS-3-51889,CC#Cc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)c(Cl)nn5)n34)c2)n1,RHFHESGUDFVUFJ-UHFFFAOYSA-N,3,1,0.411,87,838,486.898,3.824,5,0.334,0.64,1.0,0.7321893633061476,0.7378178329106984,0.530583921595504,0.52493831814132,0.6313823589884175
EOS-3-51890,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4F)n23)nc1C,GOOCEFKABJYQCL-UHFFFAOYSA-N,3,1,0.374,13,573,467.867,5.102,5,0.334,0.57,0.995,0.5510417380577068,0.67557055719279,0.7999451716811733,0.7717000205606196,0.6995643718730724
EOS-3-51891,Fc1cncc(COc2cncc3nnc(-c4cccc(-c5ncco5)c4)n23)c1F,JWPZNITZHYYETP-UHFFFAOYSA-N,3,1,0.483,97,666,406.352,3.699,5,0.439,0.67,1.0,0.7819974641902543,0.5510845726817901,0.8078096086628743,0.7644181344664519,0.7263274450003426
EOS-3-51892,Cc1ccc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c2)nn1,CZXXORFNAGPRHO-UHFFFAOYSA-N,3,1,0.548,34,96,481.318,5.582,5,0.326,0.74,1.0,0.907211637310671,0.9749417449112466,0.9370759372215749,0.947544719347543,0.9416935096977589
EOS-3-51893,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)OC(C)c5ccccc5)s4)n23)nc1,ZPMLQHBSIZNZGD-UHFFFAOYSA-N,3,1,0.288,52,776,484.541,4.192,5,0.36,0.63,0.783,0.19892399424302654,0.15686896031800424,0.34785141525597973,0.19380954012747584,0.2243634774861216
EOS-3-51894,Cc1cnnc(COc2cncc3nnc(-c4cccc(-c5cnc(F)c(Cl)c5)c4)n23)c1Cl,XVPVWGCFNURLEJ-UHFFFAOYSA-N,3,1,0.473,16,526,482.306,4.977,5,0.327,0.67,1.0,0.6469141936810363,0.737826399835515,0.8158625179905421,0.860196353916798,0.7651998663559729
EOS-3-51895,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1nc(C)no1,GRNHCCFCJIOLPZ-UHFFFAOYSA-N,3,1,0.418,31,690,467.942,4.444,5,0.346,0.54,0.881,0.465081214447262,0.5141354259475018,0.07163662531697622,0.09075800150777877,0.28540281680487967
EOS-3-51896,Cn1ncnc1-c1ccc(F)c(-c2nnc3cncc(OCc4ccc(F)c(-c5c[nH]nn5)n4)n23)c1,GWRBGELWBXIISR-UHFFFAOYSA-N,3,1,0.426,4,32,487.434,2.624,6,0.376,0.56,0.644,0.3923137550544856,0.5141439928723186,0.3219364676855596,0.33120588033719417,0.3899000239873895
EOS-3-51897,Fc1cnccc1CCOc1cncc2nnc(-c3cnc(Cl)c(-c4cc(Cl)ccn4)c3)n12,VBYJSEMACKRWCC-UHFFFAOYSA-N,3,1,0.484,35,904,482.306,4.711,5,0.324,0.63,1.0,0.8736292920293331,0.9380268658762251,0.8285587005688438,0.8742975121650333,0.8786280926598589
EOS-3-51898,Clc1cc(Cl)cc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nn2)c1,LAQMWPQFARVDGG-UHFFFAOYSA-N,3,1,0.333,3,115,486.326,4.803,6,0.353,0.66,1.0,0.04543896922760606,0.1645449249537386,0.6445839901309026,0.7618480570214515,0.40410398533342473
EOS-3-51899,Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5nc(C)no5)cc4F)n23)cn1,PHSSWRUFJMLUKJ-UHFFFAOYSA-N,3,1,0.404,82,412,404.365,3.18,5,0.445,0.79,1.0,0.6293177301076006,0.5605938592282914,0.22032417243506272,0.1585566445068878,0.3921981015694606
EOS-3-51900,Cc1cc(-c2nnc3cncc(CCCc4ccc(-c5ccccc5F)nc4)n23)ccc1Cl,HSUHDKGSLBTOBK-UHFFFAOYSA-N,3,1,0.479,14,358,457.94,6.13,5,0.308,0.83,1.0,0.570145980398876,0.7378349667603317,0.8420601740799123,0.8908488109108355,0.7602224830374888
EOS-3-51901,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)nn2)cc1,VAUCBELLUSALOT-UHFFFAOYSA-N,3,1,0.306,10,37,407.401,2.219,6,0.471,0.62,0.989,0.010134672058118018,0.029187512850387225,0.10715509560688095,0.14087451168528545,0.07183794805016791
EOS-3-51902,Clc1ccc(COc2ccc(-c3nnc4cncc(Cc5cccc(Cl)c5)n34)cc2)cc1,UIHZXEFKNOYXAM-UHFFFAOYSA-N,3,1,0.527,79,397,461.352,6.268,5,0.299,0.87,1.0,0.7106863820163114,0.809677198272908,0.9639503803714619,0.9755328627235967,0.8649617058460696
EOS-3-51903,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(F)c1,QTIFRBXLYYSKGQ-UHFFFAOYSA-N,3,1,0.519,90,255,407.302,4.12,4,0.466,0.65,1.0,0.9348656706188746,0.944786169556576,0.9880148721814818,0.982129394832431,0.9624490267973409
EOS-3-51904,FCc1nc(Cl)c(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)[nH]1,ZQIZLXCKNSYTAI-UHFFFAOYSA-N,3,1,0.489,4,31,470.295,4.932,5,0.354,0.56,1.0,0.6012610513330136,0.6182406963196491,0.7095469810156946,0.7693698170104859,0.6746046364197107
EOS-3-51905,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6csnn6)n5)n34)cc2F)cn1,IUPGLPRXCPVIOK-UHFFFAOYSA-N,3,1,0.495,81,218,485.508,3.823,6,0.35,0.61,1.0,0.32463504900280993,0.44253306832979233,0.447287711603043,0.41087828113220476,0.4063335275169625
EOS-3-51906,Cc1ccc(-c2nnc3cncc(-c4cccnc4OCc4ccc(Cl)c(Cl)c4)n23)cn1,JHPRRPWAGOBWLG-UHFFFAOYSA-N,3,1,0.461,96,294,463.328,5.443,5,0.345,0.58,1.0,0.5899441436501953,0.6755791241176068,0.8651309026111987,0.8632804468507984,0.7484836543074498
EOS-3-51907,Fc1cc(Br)ccc1-c1nnc2cncc(CCc3ncnc(Cc4cccnc4)n3)n12,MOAZDVCQSALLEO-UHFFFAOYSA-N,3,1,0.378,85,580,491.328,3.649,5,0.358,0.77,0.985,0.39873038174216985,0.5554794051127407,0.24527105750119937,0.3567610170653142,0.38906046535535604
EOS-3-51908,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)cc(Cl)n1,ZDPYZQNFHONLOH-UHFFFAOYSA-N,3,1,0.6,59,294,484.322,5.095,5,0.312,0.76,0.996,0.7441573572750325,0.7146357343567953,0.8388133095743951,0.854961962853814,0.7881420910150092
EOS-3-51909,Fc1ccc(F)c(-c2ncsc2-c2nnc3cncc(-c4cccc(-c5ccccn5)c4)n23)c1,DKPZNNZWUVJNBU-UHFFFAOYSA-N,3,1,0.362,69,484,468.492,5.922,6,0.321,0.74,1.0,0.19070831334384208,0.3393701596874786,0.8121187718456583,0.8714447262010828,0.5534104927695154
EOS-3-51910,COc1nc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6nncn6C)cc5F)n34)cc2)cs1,RXQIJEPPSDIJGM-UHFFFAOYSA-N,3,1,0.304,98,314,485.508,3.92,6,0.362,0.6,0.999,0.3122729764923583,0.3538739634020972,0.24895483517236652,0.2343996299088479,0.2873753512439175
EOS-3-51911,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5c[nH]nn5)cs4)n23)cn1,PHRRRISSNDWQNQ-UHFFFAOYSA-N,3,1,0.456,92,185,410.85,3.265,5,0.443,0.57,0.999,0.47491604413679667,0.6613408950723049,0.3964515797409362,0.4392433692001919,0.4929879720375574
EOS-3-51912,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c(Cl)n2)no1,PLRVZSVIBYYRSS-UHFFFAOYSA-N,3,1,0.478,58,954,474.333,4.535,5,0.331,0.57,1.0,0.6744482900418066,0.7099667603317114,0.19579706668494276,0.30632753066959084,0.4716349119320129
EOS-3-51913,COc1ncc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)cn2)cn1,OJWKOQYYPJKZFL-UHFFFAOYSA-N,3,1,0.379,52,916,492.543,3.329,6,0.35,0.79,1.0,0.3095572613254746,0.07873860598999383,0.09951339867041327,0.0783188266739771,0.14153202316496472
EOS-3-51914,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1cnc(C)s1,HGQCMYYTQAHMFW-UHFFFAOYSA-N,3,1,0.617,13,209,467.913,5.817,5,0.324,0.75,1.0,0.8603591254883147,0.8557758207113975,0.8693800973202659,0.8226646562949763,0.8520449249537385
EOS-3-51915,Cc1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c(Cl)n1,GXXKSICPIWUPJE-UHFFFAOYSA-N,3,1,0.543,90,555,405.22,3.915,4,0.479,0.71,1.0,0.8422315125762456,0.8358748543622782,0.8100198752655746,0.8366972791446782,0.8312058803371941
EOS-3-51916,Fc1ccc(-c2ccccc2)cc1-c1nnc2cncc(OCCc3cccc(Cl)c3F)n12,WTTPMGNSPIXRCG-UHFFFAOYSA-N,3,1,0.654,57,650,462.887,6.011,5,0.31,0.78,1.0,0.9628795147693784,0.9809985607566308,0.9708638886985128,0.9799962305530807,0.9736845486944006
EOS-3-51917,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4nc(-c5ccccc5)cs4)n23)ccn1,GWGSRYNCUFKIPC-UHFFFAOYSA-N,3,1,0.444,28,667,480.557,4.772,6,0.325,0.66,1.0,0.29393119045987254,0.23868309231718182,0.22740045233363032,0.20532348708107737,0.24133455554794053
EOS-3-51918,Cc1nc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)n1,PQMXIYWEUJCQLD-UHFFFAOYSA-N,3,1,0.432,44,531,484.919,5.171,5,0.331,0.75,0.999,0.8832242478240011,0.8174988006305257,0.7330803234870811,0.7764032622849701,0.8025516585566446
EOS-3-51920,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c(F)c2)s1,OYCWVRPRMULEBL-UHFFFAOYSA-N,3,1,0.325,69,220,464.529,6.091,6,0.316,0.8,1.0,0.21001816188061134,0.36858337331231583,0.7330888904118977,0.7489976697964499,0.5151720238503187
EOS-3-51921,Clc1cc(-c2csnn2)ccc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,ICUKILIRAMOVFH-UHFFFAOYSA-N,3,1,0.342,69,152,473.974,5.754,6,0.324,0.75,1.0,0.14341032143101912,0.30515386196970734,0.6969021999862929,0.7717085874854362,0.47929374271811387
EOS-3-51922,Cn1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5)n34)cn2)n1,WPZQJUVYEOSQHN-UHFFFAOYSA-N,3,1,0.628,36,258,403.381,2.095,5,0.439,0.78,1.0,0.7500942361729833,0.6182492632444657,0.20634295113426085,0.2344081968336646,0.45227366184634366
EOS-3-51923,Cn1nccc1-c1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c(Cl)cn1,JGXHWBYUBYVVLR-UHFFFAOYSA-N,3,1,0.418,55,584,485.899,2.999,6,0.377,0.52,1.0,0.5227880200123364,0.5695719964361593,0.27439003495305325,0.2611284353368515,0.4069696216846001
EOS-3-51924,Cc1nnc(CCOc2cncc3nnc(-c4cc(-c5nccs5)cnn4)n23)o1,KOFQNBBYONHBIS-UHFFFAOYSA-N,3,1,0.411,53,785,407.419,2.018,5,0.412,0.64,0.998,0.26942121855938594,0.1416112672195189,0.007333287643067644,0.005697005003084093,0.10601569460626413
EOS-3-51925,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)nc5Cl)n34)ccc2F)nn1,LUWPDOUDUIUVGD-UHFFFAOYSA-N,3,1,0.484,73,772,484.282,3.767,5,0.271,0.69,1.0,0.9055325200466041,0.8731495442395998,0.5440339935576726,0.604653553560414,0.7318424028510725
EOS-3-51926,c1cc(-c2nn[nH]n2)nc(-c2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1,IIAHBHYIHXCICT-UHFFFAOYSA-N,3,1,0.291,98,865,408.389,1.818,6,0.445,0.56,1.0,0.11342608457268179,0.12751010897128368,0.11247515591803166,0.1431533136865191,0.12414116578712905
EOS-3-51927,Cn1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)cc1-c1cccc(Cl)c1F,BWDTXONXUMLOME-UHFFFAOYSA-N,3,1,0.418,13,145,473.27,5.569,5,0.342,0.69,1.0,0.43231272702350765,0.5554879720375574,0.9445291618120759,0.9665290247412789,0.7247147214036049
EOS-3-51928,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cccc(F)n5)n4C)n23)c(F)c1,PRBQZPOAJDNUJU-UHFFFAOYSA-N,3,1,0.322,8,311,485.462,3.205,6,0.342,0.56,0.991,0.2181653073812624,0.29523336303200604,0.09015831677061202,0.1585652114317045,0.19053054965389626
EOS-3-51929,Fc1cnc(-c2ncccc2F)cc1-c1nnc2cncc(OCc3ncn(-c4ncccn4)n3)n12,WRXVSQIPVKDZSO-UHFFFAOYSA-N,3,1,0.373,80,199,485.418,2.476,6,0.346,0.56,1.0,0.3148002193132753,0.305162428894524,0.14755671304228635,0.18549962305530807,0.23825474607634844
EOS-3-51930,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)cnc1C,AEIBGDPDTDBIBT-UHFFFAOYSA-N,3,1,0.419,26,905,478.919,4.187,5,0.346,0.52,0.999,0.5458587485436228,0.5278682064286204,0.4216040710026729,0.40755431430333766,0.4757213350695635
EOS-3-51931,Clc1cc(COc2cncc3nnc(-c4cncc(-c5ncon5)c4)n23)ccn1,XNWKSUBPLQOFIM-UHFFFAOYSA-N,3,1,0.47,2,131,406.793,2.864,5,0.406,0.69,1.0,0.5536032485778904,0.5187786991981358,0.39274210129531906,0.41088684805702147,0.46900272428209167
EOS-3-51932,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4-n4nccn4)n23)cn1,CYVQAOPDXUZIME-UHFFFAOYSA-N,3,1,0.412,80,816,485.899,2.795,6,0.35,0.59,1.0,0.4232489205674731,0.3921081488588856,0.132530326913851,0.1558152285655541,0.275925656226441
EOS-3-51933,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cnc(Cl)nn5)n4)n23)cc1F,FKYUQDDQUSZGBG-UHFFFAOYSA-N,3,1,0.315,74,768,493.865,3.387,5,0.395,0.75,0.997,0.37171886779521623,0.42037043382907274,0.37815262833253377,0.4075628812281543,0.39445120279624424
EOS-3-51934,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(-c5ccnnc5)c4)n23)nc1,UOEYCPLCLGCSSS-UHFFFAOYSA-N,3,1,0.389,41,318,480.919,5.095,6,0.339,0.67,1.0,0.5510503049825235,0.7330460557878145,0.7911212391200055,0.7668597080392022,0.7105193269823864
EOS-3-51935,Cc1cccc(-n2cnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)c1,YLTWRRMHIROGLL-UHFFFAOYSA-N,3,1,0.345,50,681,404.384,3.68,5,0.454,0.73,0.589,0.027885340278253717,0.14918442875745322,0.6147025563703653,0.5677386745253924,0.33987774998286613
EOS-3-51936,COc1nc(-c2nnc3cncc(OCCc4nc(Cl)ccc4F)n23)ccc1-c1nc(C)no1,AWPKQHYKFGRXHQ-UHFFFAOYSA-N,3,1,0.382,49,501,482.863,3.362,5,0.318,0.59,0.985,0.572724624768693,0.48665273113563157,0.147565279967103,0.14316188061133575,0.33752612912069085
EOS-3-51937,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1nccc(CO)n1,URYSYZHIHDLBDS-UHFFFAOYSA-N,3,1,0.386,31,690,479.953,3.992,5,0.373,0.55,0.749,0.5123706394352683,0.5743437735590432,0.182535467068741,0.19381810705229252,0.3657669967788362
EOS-3-51938,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)nc2)n1C,IVVSBNMASHPOKG-UHFFFAOYSA-N,3,1,0.298,50,489,404.825,2.401,5,0.45,0.67,1.0,0.13790178877390172,0.21318792406277842,0.030978000137070798,0.0547426495785073,0.10920259063806456
EOS-3-51939,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1nccs1,AOXGRVWTODFAKN-UHFFFAOYSA-N,3,1,0.438,49,501,483.916,4.127,5,0.318,0.61,0.999,0.6589592899732712,0.6414056610239188,0.3781611952573504,0.3471660612706463,0.5064230518812967
EOS-3-51940,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(C5COC5)c4)n23)cc1,SLLBGSSZFRDMLX-UHFFFAOYSA-N,3,1,0.337,63,437,401.43,2.118,6,0.55,0.83,1.0,0.07956103077239395,0.029196079775203894,0.05181276129120691,0.09657494345829622,0.06428620382427525
EOS-3-51941,O=C(c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)nc4)n23)cc1)N1CCOCC1,VTWJGXOYTNHJSR-UHFFFAOYSA-N,3,1,0.573,89,800,494.515,2.695,6,0.351,0.86,1.0,0.2771999862929203,0.0025529435953670072,0.01430676444383524,0.026720238503186895,0.08019498320882736
EOS-3-51942,Fc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)ncn2)ccn1,NXTQGQNKDCOEHG-UHFFFAOYSA-N,3,1,0.371,44,971,439.332,3.992,5,0.238,0.62,0.993,0.6776437529984237,0.7282057432663971,0.9370845041463917,0.9268641628401069,0.8174495408128298
EOS-3-51944,FC(F)c1c(Cl)ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1Cl,RXDUWOLIDBNXTN-UHFFFAOYSA-N,3,1,0.69,23,17,455.679,6.268,4,0.356,0.76,1.0,0.9943886642450825,0.995074018230416,0.9959735453361661,0.9988862997738331,0.9960806318963744
EOS-3-51945,CC(=O)NC(C)c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4Cl)n23)c(C)c1,CIKVKSFIKGLYPO-UHFFFAOYSA-N,3,1,0.333,61,917,487.955,3.808,5,0.4,0.57,0.97,0.2427352477554657,0.3155027071482421,0.41788602563223903,0.3216623260914262,0.32444657665684323
EOS-3-51946,Cc1nnc(-c2cccc(F)n2)cc1Oc1cncc2nnc(-c3nncnc3-c3ccccc3)n12,GFQTYSMTCYHREY-UHFFFAOYSA-N,3,1,0.337,30,880,478.451,3.735,6,0.338,0.51,0.016,0.5809831402919607,0.4558889041189775,0.1890291960797752,0.23156397779453086,0.3643663045713111
EOS-3-51947,Clc1cc(Cl)c(CCc2cncc3nnc(-c4ccccn4)n23)c(Cl)c1,YPHBCPBOEAOOLK-UHFFFAOYSA-N,3,1,0.494,90,244,404.688,4.932,4,0.484,0.84,0.987,0.2802412446028374,0.3636059899938318,0.842068741004729,0.9404341717497087,0.6065875368377767
EOS-3-51948,Cc1ccc(-c2nnc3cncc(-c4ccc(F)cc4Oc4ccc(Cl)cc4)n23)cc1,LUAYRFXFIWODEI-UHFFFAOYSA-N,3,1,0.414,83,533,430.87,6.352,5,0.333,0.84,1.0,0.5782331574258104,0.7935542457679391,0.9657323007333287,0.972560139812213,0.8275199609348227
EOS-3-51949,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)cnn2)cc1Cl,PHUUFDMMKIIHGY-UHFFFAOYSA-N,3,1,0.575,37,778,470.345,4.633,5,0.357,0.51,1.0,0.7441659241998492,0.7853299979439381,0.5204235487629361,0.6633626893290384,0.6783205400589405
EOS-3-51950,Cc1ccc(-c2nnc3cncc(Cc4cnc(=NCc5ccc(F)c(Cl)c5)[nH]n4)n23)cc1,VWJZGETXFRZDMZ-UHFFFAOYSA-N,3,1,0.449,14,358,460.904,3.702,5,0.431,0.48,0.984,0.2181738743060791,0.34449318072784596,0.5866458775957782,0.6283668014529504,0.44441993352066345
EOS-3-51951,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6cnc(C)nc6C)nc5)n34)cn2)nn1,HHXHBQDARDUNIK-UHFFFAOYSA-N,3,1,0.368,6,843,489.503,3.608,6,0.35,0.68,1.0,0.39453258858200263,0.2386916592419985,0.12663628263998356,0.07646837091357686,0.2090822253443904
EOS-3-51952,CCn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccc2F)cn1,DYWSKURSOBUOMD-UHFFFAOYSA-N,3,1,0.535,59,607,468.414,4.81,5,0.264,0.64,1.0,0.6865190871084915,0.709975327256528,0.9625968062504283,0.9489411280926598,0.8270080871770269
EOS-3-51953,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5Cl)n34)ccn2)ccn1,REQXFLLIXAJASY-UHFFFAOYSA-N,3,1,0.511,75,265,482.306,4.711,5,0.324,0.61,1.0,0.879463367829484,0.8589284490439312,0.8532999794393804,0.8840895072304845,0.8689453258858201
EOS-3-51955,C#Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)cn1,TWPNCIPGXFTKDV-UHFFFAOYSA-N,3,1,0.465,7,420,407.397,1.994,5,0.403,0.62,1.0,0.4030224110753204,0.3207028305119594,0.18254403399355768,0.13611130148721814,0.2605951442670139
EOS-3-51956,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)cnc1Cl,SKVSKEANGWTTHW-UHFFFAOYSA-N,3,1,0.49,65,35,485.31,4.049,5,0.335,0.6,1.0,0.7647865122335686,0.8175073675553424,0.5898156397779453,0.6572716057843876,0.7073452813378109
EOS-3-51957,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc(Cl)n2)c1,UCMZQBRJABCJFV-UHFFFAOYSA-N,3,1,0.511,87,141,482.306,4.711,5,0.324,0.59,1.0,0.8538054280035638,0.8921938181070523,0.7733791378246865,0.8367058460694949,0.8390210575011994
EOS-3-51958,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cnc(Cl)nc1,GNVDYAJAGHWFCJ-UHFFFAOYSA-N,3,1,0.549,4,716,473.32,5.335,5,0.321,0.69,1.0,0.9055410869714208,0.9321756562264409,0.884980467411418,0.9062521417312042,0.9072373380851211
EOS-3-51959,CCc1nnc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ccc(Cl)nc5)c4)n23)o1,QUMGNVRCXBWSPV-UHFFFAOYSA-N,3,1,0.518,37,482,482.331,4.727,5,0.307,0.71,1.0,0.7045867315468439,0.8358834212870948,0.3256545130559934,0.4827804811184977,0.5872262867521074
EOS-3-51960,CCCn1nc(-c2ccccc2Cl)nc1-c1cncc2nnc(-c3ccc(Cl)c(OC)c3)n12,CKAXWWVRHCBNTR-UHFFFAOYSA-N,3,1,0.353,22,316,480.359,5.442,5,0.322,0.8,1.0,0.25102803097800014,0.41587279830032214,0.28908231101363857,0.47973065588376396,0.3589284490439312
EOS-3-51961,Cc1cncc(-c2cncc3nnc(-c4nccnc4-c4cnc(CC#N)cn4)n23)n1,SXSVAYMLOYNMEV-UHFFFAOYSA-N,3,1,0.232,86,953,407.401,1.87,5,0.433,0.58,0.979,0.13534027825371805,0.06032828455897471,0.051821328216023574,0.062110204920841613,0.07740002398738949
EOS-3-51962,Fc1ccc(Cl)c(F)c1-c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnn5)c4)n23)nc1,DKCVQAAOOFOOED-UHFFFAOYSA-N,3,1,0.274,10,151,488.849,3.823,6,0.344,0.65,0.999,0.01646562949763553,0.19897539579192652,0.7480467411417997,0.8079638133095743,0.442862894935234
EOS-3-51963,CC(C)(O)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(C#N)c4)n23)cn1,UNJDIJQYJYEQDP-UHFFFAOYSA-N,3,1,0.421,63,9,402.433,3.21,4,0.55,0.79,0.998,0.5253666643821534,0.569580563360976,0.8636916592419985,0.7198701254197793,0.6696272531012268
EOS-3-51964,Fc1cccc(-c2ncccc2-c2cncc3nnc(-c4c(F)ccc(F)c4F)n23)n1,JGVBTDSCTMZDDE-UHFFFAOYSA-N,3,1,0.338,45,46,422.345,4.472,5,0.244,0.69,1.0,0.38793605647316837,0.6085857720512645,0.9357994654238915,0.95025186758961,0.7206432903844836
EOS-3-51965,Cn1nncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1,MJTIAKBEKSTBPC-UHFFFAOYSA-N,3,1,0.403,50,243,405.372,2.981,5,0.453,0.67,0.944,0.08608902748269481,0.2131964909875951,0.5773250633952437,0.5050887533411007,0.34542483380165856
EOS-3-51966,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)nc1-c1cncs1,WVUOGYXMXHSLTI-UHFFFAOYSA-N,3,1,0.424,28,363,482.504,4.485,6,0.342,0.63,1.0,0.6714327325063395,0.7146443012816119,0.33658590912206154,0.36979987663628267,0.5231157048865739
EOS-3-51967,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccc(Cl)nn6)no5)n34)cn2)n1,RGVCBCNYYMWSNZ-UHFFFAOYSA-N,3,1,0.376,80,843,489.843,2.617,6,0.334,0.7,1.0,0.4749246110616133,0.5795438969227606,0.02432149955451991,0.031543417174970875,0.27758335617846625
EOS-3-51968,c1ccc(-c2cncc(-c3cccc(-c4nnc5cncc(OCCc6nccs6)n45)c3)c2)nc1,IMGXUIYUOPPHGG-UHFFFAOYSA-N,3,1,0.573,41,667,477.553,4.993,6,0.32,0.64,1.0,0.5330597628675211,0.49615345075731615,0.4104499348913714,0.42685559591529026,0.4666296861078747
EOS-3-51969,Cc1cc(-c2cc(F)c(-c3nnc4cncc(CCc5ccc(Cl)nn5)n34)cc2Cl)ccn1,ZXMRRHWCVBHVNN-UHFFFAOYSA-N,3,1,0.341,14,487,480.334,5.183,5,0.345,0.64,1.0,0.42325748749228975,0.5649715578096086,0.7527671167157837,0.8327907614282777,0.64344673086149
EOS-3-51970,CC(C)(C)c1cncc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)cnn2)c1,WBWYDKMDJHVVLQ-UHFFFAOYSA-N,3,1,0.478,65,778,457.563,4.624,5,0.367,0.49,1.0,0.5305239531217874,0.35388253032691386,0.557355561647591,0.3535998218079638,0.44884046672606404
EOS-3-51971,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)c(F)c2)ccn1,CAZGFLBPCYFGTR-UHFFFAOYSA-N,3,1,0.461,13,236,451.383,5.51,5,0.266,0.75,1.0,0.8756596532108835,0.927378178329107,0.9849222123226646,0.9796792543348639,0.9419098245493797
EOS-3-51972,CCn1nc(C)c(-c2cnc(C)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1C,YNZPSEFCPYCWSP-UHFFFAOYSA-N,3,1,0.571,4,677,473.968,5.227,5,0.336,0.64,1.0,0.5406072236310054,0.6613494619971215,0.32566307998081007,0.3063360975944075,0.4584889658008361
EOS-3-51973,Cc1cnnc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6ccc(C#N)n6C)cc5)n34)cn2)n1,NOVQYZLVJRPRAC-UHFFFAOYSA-N,3,1,0.343,56,622,487.487,3.411,6,0.354,0.61,1.0,0.4139880748406552,0.3780241244602837,0.3071670893016243,0.2519875265574669,0.3377917037900075
EOS-3-51974,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5F)n34)nc2F)nn1,HORLVRQRLBNHKF-UHFFFAOYSA-N,3,1,0.385,13,251,470.802,4.21,5,0.284,0.55,1.0,0.7321979302309642,0.7894506887807553,0.7504369131656501,0.7813292440545542,0.7633536940579809
EOS-3-51975,Cc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(C(F)F)c(F)c5)c4)n23)ccn1,XGEHEAUYVRFWGT-UHFFFAOYSA-N,3,1,0.551,11,201,476.462,5.255,5,0.319,0.68,0.999,0.9438523747515591,0.8991158933589198,0.9420019189911589,0.9003666643821534,0.9213342128709479
EOS-3-51976,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Oc4ccc(-c5ncc(Cl)cn5)cn4)n23)s1,UAHVZKFTZHEJOQ-UHFFFAOYSA-N,3,1,0.305,33,775,490.936,4.043,6,0.378,0.71,1.0,0.42805496538962373,0.2589438695086012,0.06337810979370845,0.10701802480981427,0.21434874237543694
EOS-3-51977,COCC(O)(c1ncc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c(C)n1)c1cncn1C,VWRRISFUSNADSZ-UHFFFAOYSA-N,3,1,0.333,74,295,485.508,1.271,5,0.346,0.61,0.927,0.17622164347885683,0.1013381536563635,0.2063515180590775,0.07054862586525941,0.13861498526488933
EOS-3-51978,Fc1cnn(-c2cc(COc3cncc4nnc(-c5nncnc5-c5ccccc5)n34)ncc2F)c1,UUDYFZMXCWKGGT-UHFFFAOYSA-N,3,1,0.396,10,880,484.43,3.081,6,0.351,0.53,0.999,0.31228154341717496,0.2181653073812624,0.3331762730450278,0.39517510794325267,0.3146995579466794
EOS-3-51979,Cc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)ccc1-c1nc(C)c(F)nc1C,LRGKOVSLCJBVHT-UHFFFAOYSA-N,3,1,0.394,13,971,479.878,5.292,5,0.345,0.65,0.969,0.665333082036872,0.7053920224796107,0.5836303200603111,0.5897128366801453,0.6360170653142347
EOS-3-51980,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(C(F)(F)F)n5)n34)c2)c1F,WXUWXDRTCHWKHC-UHFFFAOYSA-N,3,1,0.441,59,560,484.388,5.124,5,0.322,0.75,1.0,0.8226646562949763,0.8326194229319444,0.9870039750531149,0.9705469124802961,0.9032087416900829
EOS-3-51981,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C(F)F)cc4F)n23)nc1,QCCQYTMGFLJECD-UHFFFAOYSA-N,3,1,0.271,99,765,490.413,2.837,6,0.358,0.61,1.0,0.16807449797820576,0.3732437804125831,0.3292269207045439,0.3634689191967651,0.30850352957302446
EOS-3-51982,CCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,JIYSWSBHKOURGS-UHFFFAOYSA-N,3,1,0.344,63,505,400.446,2.022,5,0.527,0.83,1.0,0.04097560139812213,0.018161880611335755,0.010939962990884792,0.011316907682818176,0.020348588170790213
EOS-3-51983,c1c[nH]c(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)cc2)n1,DGBHAJKEDPDXKC-UHFFFAOYSA-N,3,1,0.277,42,339,405.425,3.634,6,0.463,0.71,0.907,0.11888321568089918,0.11692995682269892,0.42543348639572337,0.4268641628401069,0.2720277054348571
EOS-3-51984,c1ccc(-c2nc(-c3ccccn3)[nH]c2-c2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cc1,JTTBTHRZGLCPNS-UHFFFAOYSA-N,3,1,0.338,93,553,483.495,4.96,7,0.364,0.64,1.0,0.12689329038448358,0.14524364334178602,0.3629463367829484,0.4041104105270372,0.2597984202590638
EOS-3-51985,COc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3c(F)cnc(F)c3Cl)n12,MLPNAZBODKNULZ-UHFFFAOYSA-N,3,1,0.43,24,710,481.85,4.163,5,0.333,0.57,1.0,0.8538139949283805,0.789459255705572,0.6859194023713248,0.6404461654444521,0.7424097046124324
EOS-3-51986,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cc(Cl)n2)ccc1F,QXBWMXVALBBSNI-UHFFFAOYSA-N,3,1,0.457,59,564,483.841,4.601,5,0.337,0.61,1.0,0.8923223219793023,0.8557843876362141,0.8942156123637859,0.8869594270440683,0.8823204372558426
EOS-3-51987,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cccc(Cl)c5Cl)n4)n23)cc1,WLAJRKOFTAGJPG-UHFFFAOYSA-N,3,1,0.31,98,973,490.318,3.536,6,0.368,0.64,1.0,0.06366081831265849,0.2181738743060791,0.22362243848947982,0.40135186073607015,0.2267022479610719
EOS-3-51988,COc1nc(-c2cnc(C)s2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,GUVXBIYFPQHKIK-UHFFFAOYSA-N,3,1,0.484,49,710,479.953,4.297,5,0.318,0.56,1.0,0.589952710575012,0.6465286820642862,0.25589404427386747,0.2022308272222603,0.4236515660338565
EOS-3-51989,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ccc4Cl)n23)cc1F,JNIAYQGDPVFNEV-UHFFFAOYSA-N,3,1,0.511,36,402,493.89,2.713,5,0.383,0.77,1.0,0.6350918374340346,0.6516174354053869,0.41045850181618804,0.3983020355013364,0.5238674525392364
EOS-3-51990,Clc1cc(-c2nnc3cncc(OCCc4ncsc4Cl)n23)ccc1-c1cscn1,MHPXUWYPPNBAEE-UHFFFAOYSA-N,3,1,0.529,11,490,475.386,5.3,5,0.332,0.66,1.0,0.7987458022068399,0.8462922349393461,0.48228359947913096,0.634415050373518,0.6904341717497088
EOS-3-51991,OCc1coc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)n1,CWZFOTHCZCAUJW-UHFFFAOYSA-N,3,1,0.518,97,506,406.427,2.974,5,0.458,0.7,1.0,0.3810396819957508,0.2952419299568227,0.24527962442601603,0.1963539167980262,0.2794787882941539
EOS-3-51992,CCn1cncc1-c1cc(-c2nnc3cncc(COCc4ccc(F)c(F)c4)n23)cc(Cl)n1,CJEIMIQNPXAMGR-UHFFFAOYSA-N,3,1,0.562,26,864,481.894,4.718,5,0.313,0.65,0.998,0.46251970392707836,0.5053200603111507,0.8339130285792612,0.8286700705914605,0.6576057158522377
EOS-3-51993,Fc1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1-c1cccnc1F,IPPMCEVSFRHZFM-UHFFFAOYSA-N,3,1,0.489,88,490,482.853,4.941,5,0.319,0.67,1.0,0.9664005208690288,0.9709838256459461,0.9320642862038243,0.9428329106983757,0.9530703858542937
EOS-3-51994,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cn2)ccn1,JTQIVAKZGGYCSZ-UHFFFAOYSA-N,3,1,0.317,50,261,404.796,3.498,5,0.425,0.75,1.0,0.2991056130491399,0.47338256459461314,0.5440425604824892,0.6431361798368858,0.489916729490782
EOS-3-51995,Fc1ccccc1CCOc1cncc2nnc(-c3cnc(Cl)c(-c4cccc(Cl)n4)c3)n12,KDXLOZOLOZICFQ-UHFFFAOYSA-N,3,1,0.624,11,732,481.318,5.316,5,0.306,0.75,1.0,0.9201391268590227,0.9635049002809951,0.8761736686998834,0.9129343430882051,0.9181880097320265
EOS-3-51996,Cn1c(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)c2)nnc1C(F)(F)F,OKERTFDHFPDMOL-UHFFFAOYSA-N,3,1,0.396,53,52,488.821,3.023,5,0.367,0.61,1.0,0.4464053183469262,0.6085943389760812,0.48583030635323143,0.44249880063052566,0.49583219107669113
EOS-3-51997,c1csc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)s5)n34)cc2)c1,MTLFJQJDIXFMAZ-UHFFFAOYSA-N,3,1,0.324,32,126,427.514,5.903,6,0.35,0.7,1.0,0.21528682064286203,0.2489634020971832,0.6115927626619149,0.6344236172983346,0.4275666506750737
EOS-3-51998,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc(Cl)n1,JMYLITZWDAXZDX-UHFFFAOYSA-N,3,1,0.581,11,595,481.318,5.316,5,0.306,0.73,1.0,0.9553234870810774,0.9545867315468439,0.8861284353368515,0.9194280720992393,0.928866681516003
EOS-3-51999,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccsc5C)n4)n23)cc1,MLGJCQKQRKXBPK-UHFFFAOYSA-N,3,1,0.337,9,186,461.554,5.656,6,0.337,0.64,1.0,0.1655044205332054,0.17713830443424028,0.4891885408813652,0.5116767185251182,0.3358769960934823
EOS-3-52000,c1ccc(-c2ncc(-c3nnc4cncc(-c5nnnn5-c5cc6ccccc6s5)n34)s2)cc1,SMMDEQRIDVIEGJ-UHFFFAOYSA-N,3,1,0.279,30,298,479.554,4.772,7,0.358,0.58,0.689,0.02439860187786992,0.09505003084092933,0.07817318895209376,0.19916386813789322,0.09919642245219656
EOS-3-52001,Cn1cc(Cl)nc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(F)c1,VLYOVENTFAUAGR-UHFFFAOYSA-N,3,1,0.512,13,451,470.842,5.714,5,0.329,0.69,1.0,0.8422400795010623,0.9103128640943047,0.968173874306079,0.9604465081214447,0.9202933315057227
EOS-3-52002,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5nc[nH]n5)cs4)n23)c(F)n1,PFHSZLBHMDATOQ-UHFFFAOYSA-N,3,1,0.446,4,464,409.41,2.454,5,0.44,0.61,1.0,0.462528270851895,0.589798505928312,0.06519429785484203,0.06531423480227537,0.2957088273593311
EOS-3-52003,Fc1cnnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(-c6ncc[nH]6)nc5)n34)c2)c1,JQGKXINPCPFCSP-UHFFFAOYSA-N,3,1,0.42,59,109,483.442,3.891,6,0.379,0.51,1.0,0.7137533411006785,0.6319649098759509,0.7095555479405112,0.6893975738468919,0.6861678431910081
EOS-3-52004,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(CO)c(F)c4)n23)c1,VRQJXFKDPWWBOM-UHFFFAOYSA-N,3,1,0.337,61,917,402.393,2.28,5,0.491,0.8,1.0,0.32990370776506067,0.3051709958193407,0.4787368926050305,0.5215972174628195,0.40885220341306283
EOS-3-52005,Cc1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1-c1ccnc(Cl)c1,MWBGPKCQXAZMPB-UHFFFAOYSA-N,3,1,0.529,35,265,478.89,5.11,5,0.316,0.64,1.0,0.9514683709135768,0.9436382016311425,0.9246881639366733,0.9194366390240559,0.9348078438763622
EOS-3-52006,FCc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)c2)cc1F,MBBASUIZTVYBHH-UHFFFAOYSA-N,3,1,0.517,59,439,482.853,5.228,5,0.33,0.71,1.0,0.7587725310122678,0.894575423206086,0.9480930025358097,0.9508344184771435,0.8880688438078268
EOS-3-52007,Cc1csc(COc2cncc3nnc(-c4cncc(-c5noc(C)n5)c4)n23)n1,VTLLCFHIDMCBCS-UHFFFAOYSA-N,3,1,0.476,7,464,406.431,2.889,5,0.434,0.74,1.0,0.314808786238092,0.2795644575423206,0.030986567061887463,0.018710163799602494,0.16101749366047563
EOS-3-52008,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnc2Cl)c(F)cn1,FPOSZMHCMYNFOY-UHFFFAOYSA-N,3,1,0.489,2,161,483.841,4.336,5,0.332,0.62,1.0,0.9316530738126242,0.9627510108971283,0.9172092385717223,0.9184086080460558,0.9325054828318826
EOS-3-52009,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCc3cc(Cl)ncc3Cl)n12,MZMGZBPNNYCLDB-UHFFFAOYSA-N,3,1,0.482,97,89,473.32,5.335,5,0.321,0.7,1.0,0.8736378589541498,0.8945839901309026,0.9067575902953876,0.9288859570968405,0.9009663491193202
EOS-3-52010,Cc1nc(-c2ccc(-c3nnc4cncc(-c5nccc(-c6ccccc6Cl)n5)n34)nc2)cs1,KFEDJEQWLQDMJJ-UHFFFAOYSA-N,3,1,0.321,32,179,482.96,5.396,6,0.332,0.73,0.999,0.12690185730930026,0.2795730244671373,0.3927506682201357,0.4797392228085806,0.31974119320128846
EOS-3-52012,CCc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1ccccc1,PAAHAEIAKSTNMT-UHFFFAOYSA-N,3,1,0.512,57,480,445.885,6.001,5,0.332,0.72,1.0,0.6835463641971078,0.7894678226303886,0.8420773079295456,0.8730553080666164,0.7970367007059147
EOS-3-52013,Fc1cc(-c2cccc(-c3nnc4cncc(OCCc5ncc(Cl)cc5Cl)n34)c2)cnn1,JEZIVJFGOOLVSV-UHFFFAOYSA-N,3,1,0.478,37,202,482.306,4.711,5,0.346,0.56,1.0,0.7902902474127887,0.8557929545610308,0.780429716948804,0.8517322321979303,0.8195612877801385
EOS-3-52014,CCn1nccc1Cc1cncc2nnc(-c3ccc(C(F)(F)F)nc3OC)n12,KXGMGFSSPGNBKB-UHFFFAOYSA-N,3,1,0.341,68,455,403.368,3.021,4,0.509,0.74,1.0,0.2883112877801384,0.38281303543280104,0.6116013295867315,0.36667294907819886,0.4123496504694674
EOS-3-52015,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(Cl)cnc5Cl)cn4)n23)cc1,QPAWBANDQONIIZ-UHFFFAOYSA-N,3,1,0.556,73,210,484.734,5.183,5,0.317,0.77,1.0,0.9399801247344254,0.9523593310945103,0.8266054417106435,0.8965629497635529,0.903876961825783
EOS-3-52016,Fc1cc(-c2ccns2)ccc1-c1cncc2nnc(-c3ccc(-c4cnccn4)cc3F)n12,JUPHTKYNOKXLOV-UHFFFAOYSA-N,3,1,0.338,42,192,469.48,5.317,6,0.348,0.58,1.0,0.31970906723322595,0.4601980673017614,0.8666472483037488,0.8798660132958673,0.6316050990336508
EOS-3-52017,Clc1ccc(-c2nnc3cncc(-c4ccccc4OCc4cccc(Cl)c4)n23)cc1,YOZVZBWSUUGCEH-UHFFFAOYSA-N,3,1,0.471,83,480,447.325,6.344,5,0.315,0.86,1.0,0.646922760605853,0.8394301281611952,0.9631022548146118,0.9787111918305805,0.8570415838530601
EOS-3-52018,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cc1F,KFMSDKVYJXJWOI-UHFFFAOYSA-N,3,1,0.338,50,261,402.368,3.292,5,0.457,0.84,1.0,0.3441933383592626,0.4112723596737715,0.5273113563155369,0.5284336234665205,0.4528026694537729
EOS-3-52019,Fc1cc(-c2ccccc2)ncc1-c1nnc2cncc(-c3scnc3-c3ccccc3)n12,TYSHDBANGYBRBD-UHFFFAOYSA-N,3,1,0.356,30,220,450.502,5.783,6,0.34,0.63,0.999,0.17909156329244055,0.387404907134535,0.6383901034884518,0.7385117538208484,0.4858495819340689
EOS-3-52020,Fc1ccc(-c2nccn2Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,SCBSMDQWJKJTDW-UHFFFAOYSA-N,3,1,0.455,34,929,404.836,4.496,5,0.442,0.8,1.0,0.44641388527174286,0.6225327256527997,0.79995373860599,0.8882273319169351,0.689281920361867
EOS-3-52021,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1C,INIZGNSZULLZLT-UHFFFAOYSA-N,3,1,0.543,26,70,476.943,5.397,5,0.314,0.68,1.0,0.7168717017339455,0.7378435336851484,0.8322082105407443,0.8038602563223906,0.7726959255705572
EOS-3-52022,Fc1cc(F)cc(Cc2ncc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)s2)c1,FPXVIDKDRHZZSM-UHFFFAOYSA-N,3,1,0.373,14,81,470.455,5.04,5,0.325,0.59,0.989,0.25882393256116787,0.4513570008909602,0.8861370022616681,0.8869679939688849,0.6208214824206703
EOS-3-52023,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5c(Cl)cncc5Cl)n34)c2)ccn1,JKBJZBVPRMAIHH-UHFFFAOYSA-N,3,1,0.512,2,559,482.306,4.711,5,0.324,0.63,1.0,0.8279161812075937,0.867521074635049,0.8533085463641971,0.8908573778356521,0.859900795010623
EOS-3-52024,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nc(C)c(F)s1,AZQUCHYOVOUWBW-UHFFFAOYSA-N,3,1,0.362,51,924,482.932,4.342,5,0.352,0.61,0.979,0.509749160441368,0.5323487081077376,0.09448461380302926,0.10930539373586458,0.31147196902199986
EOS-3-52025,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(Cl)nc(-c5nn[nH]n5)c4F)n23)cc1,JTDOBODFIAOAPB-UHFFFAOYSA-N,3,1,0.369,63,916,490.89,2.642,6,0.346,0.76,0.99,0.23474230690151462,0.28476458090603796,0.11248372284284833,0.2197673223219793,0.21293948324309506
EOS-3-52026,Fc1cccc(-n2cc(-c3cncc4nnc(-c5nncnc5-c5ccc(Cl)cc5)n34)nn2)c1F,ZHNHKSMUGKVDPV-UHFFFAOYSA-N,3,1,0.283,10,356,488.849,3.823,6,0.368,0.6,0.861,0.03964772805153862,0.20830477691727778,0.5707970666849428,0.7490062367212665,0.3919389520937564
EOS-3-52027,Cc1csc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2F)n1,PVJXVZMVBDDDQT-UHFFFAOYSA-N,3,1,0.506,13,145,455.877,5.947,5,0.335,0.76,1.0,0.8147145500651086,0.8788551161675006,0.9096275101089712,0.9184171749708725,0.8804035878281131
EOS-3-52028,O=C(Oc1cccc(-c2nnc3cncc(Oc4ccccc4)n23)c1)c1n[nH]cc1-c1ccnnc1,CGTUBTDRRRGUQR-UHFFFAOYSA-N,3,1,0.5,17,960,476.456,3.983,6,0.28,0.61,1.0,0.3855887190734014,0.2640840243986019,0.41046706874100475,0.34393633061476253,0.35101903570694265
EOS-3-52029,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)ccc1Cl,SDCDRXPSSOCGNP-UHFFFAOYSA-N,3,1,0.48,11,173,477.355,5.485,5,0.301,0.74,1.0,0.7587810979370845,0.7975635665821397,0.8285672674936605,0.8618497704064149,0.811690425604825
EOS-3-52030,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccc(F)c(F)c6)s5)n34)cc2)n1,WHVCEMJQVZFMMP-UHFFFAOYSA-N,3,1,0.32,3,641,484.495,5.02,6,0.347,0.65,1.0,0.2912154752929888,0.45136556781577686,0.5963693372626961,0.6315536974847509,0.49262601946405316
EOS-3-52031,Cc1ccc(-n2cc(-c3cncc4nnc(-c5nccnc5-c5cc(F)c(F)cc5F)n34)nn2)nn1,ISMAHJGVEGKTGY-UHFFFAOYSA-N,3,1,0.254,39,972,487.409,3.012,6,0.345,0.56,0.789,0.01564320471523542,0.11119868412034815,0.3817250359810842,0.47084675484887945,0.24485341991638682
EOS-3-52032,Fc1ccc(CCc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cc1F,SVBDDQSCCLKTFH-UHFFFAOYSA-N,3,1,0.62,66,225,405.33,4.269,4,0.476,0.76,1.0,0.7847817147556713,0.892202385031869,0.9921783976423822,0.9840398190665479,0.9133005791241177
EOS-3-52033,O=C(c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccn4)n23)cc1)N1CCOCC1,ITRVSIRIKKBXRJ-UHFFFAOYSA-N,3,1,0.545,89,229,494.515,2.695,6,0.351,0.84,1.0,0.17342882598862314,0.002013227331916935,0.02767116715783702,0.05207833596052361,0.06379788910972517
EOS-3-52034,Fc1ccc(-c2ccsc2)cc1-c1cncc2nnc(-c3cccc(F)c3-c3ncccn3)n12,XGYZKPOYTQTHSI-UHFFFAOYSA-N,3,1,0.329,42,192,468.492,5.922,6,0.321,0.74,1.0,0.34420190528407923,0.4866612980604482,0.8666558152285656,0.8965715166883695,0.6485226338153657
EOS-3-52035,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(Cl)n2)nc1,ITOCZYIQWDVCCL-UHFFFAOYSA-N,3,1,0.506,73,263,483.294,4.106,5,0.333,0.56,1.0,0.9133027208553218,0.9218525118223563,0.5373260914262217,0.6431447467617024,0.7539065177164006
EOS-3-52036,Cc1ccc(-c2nnc3cncc(COc4nc(C(F)F)ncc4Cl)n23)nn1,KAKOQXCAVZSWHU-UHFFFAOYSA-N,3,1,0.324,68,455,404.768,2.85,4,0.5,0.63,1.0,0.5048060448221506,0.5463984648070729,0.2559026111986841,0.2287882941539305,0.38397385374545956
EOS-3-52037,Cc1ncc(-c2cnc(-c3nnc4cncc(-c5cnnc(-c6cnnn6C)c5)n34)cn2)c(Cl)n1,NJWKKWKPZKWVIR-UHFFFAOYSA-N,3,1,0.242,86,719,483.887,2.253,6,0.339,0.5,0.516,0.056678774587074224,0.1169385237475156,0.07164519224179289,0.09869954081282983,0.08599050784730314
EOS-3-52038,Cn1cc(Cl)cc(OCc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1=O,JWGTUEUZUYKOAN-UHFFFAOYSA-N,3,1,0.446,23,255,403.776,3.001,4,0.523,0.68,1.0,0.6410030155575355,0.7330546227126311,0.8356264135425947,0.869971215132616,0.7699138167363444
EOS-3-52039,FCc1cncc(COc2cncc3nnc(-c4cc(-c5ncco5)cnn4)n23)n1,XLTBESMQKMPSKS-UHFFFAOYSA-N,3,1,0.394,7,587,405.353,2.075,5,0.414,0.7,0.991,0.32464361592762664,0.20831334384209443,0.08761394010006168,0.08339044616544446,0.1759903365088068
EOS-3-52040,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncn(-c6cc(Cl)ccc6F)n5)n34)nc2)cn1C,VOJRKUGZPHBALY-UHFFFAOYSA-N,3,1,0.273,10,871,486.902,3.935,6,0.371,0.57,0.379,0.03386505380028785,0.20832191076691112,0.36295490370776506,0.4235658967856898,0.25717694126516344
EOS-3-52041,Cc1noc(-c2cc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cn5)n34)ccc2Cl)n1,YLBFFTBHBAMCNQ-UHFFFAOYSA-N,3,1,0.374,80,318,485.895,4.391,6,0.349,0.67,1.0,0.5613220478377082,0.5848382564594613,0.31832979233774245,0.29374271811390584,0.43955820368720444
EOS-3-52042,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc(Cl)n2)nc1,GCEVTSWFMQIGOS-UHFFFAOYSA-N,3,1,0.679,88,732,481.318,5.316,5,0.306,0.71,1.0,0.9438609416763758,0.9409053526146255,0.8707251045164828,0.9119748475087383,0.9168665615790556
EOS-3-52043,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cc1C(F)(F)F,YMECZMRBKOIHNO-UHFFFAOYSA-N,3,1,0.593,68,305,486.788,4.476,4,0.356,0.63,1.0,0.9583133438420944,0.9667174970872455,0.9899852648893154,0.9759355081899801,0.9727379035021588
EOS-3-52044,Cn1nccc1-c1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c1,WHVAXONMQBKWFX-UHFFFAOYSA-N,3,1,0.433,6,584,484.911,3.604,6,0.38,0.51,1.0,0.5074103899664176,0.5695891302857926,0.46855938592282914,0.4457370982112261,0.4978240010965664
EOS-3-52045,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)c(Cl)cc2Cl)s1,VSVIJMMSIGIGRF-UHFFFAOYSA-N,3,1,0.612,4,10,475.386,5.566,5,0.331,0.75,1.0,0.535535604139538,0.7424525392365157,0.4858388732780481,0.6141457062572819,0.594493180727846
EOS-3-52046,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cnn(C)n5)n4Cc4ccccn4)n23)cc1,KSZBHOKQHOYYPF-UHFFFAOYSA-N,3,1,0.324,8,474,492.507,1.648,6,0.366,0.68,1.0,0.09811698992529641,0.04894284147762319,0.014872181481735317,0.009586388869851277,0.04287960043862655
EOS-3-52047,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccs4)n23)c(-c2nccn2C)n1,OWIXRWSNYPDILC-UHFFFAOYSA-N,3,1,0.544,65,579,484.549,3.065,6,0.34,0.56,0.999,0.37417757521759987,0.23870022616681516,0.03739462682475499,0.028724898910287164,0.16974933177986432
EOS-3-52048,Fc1ccc(C(F)F)cc1COc1cncc2nnc(-c3ccc(-c4ncon4)c(F)n3)n12,MCVLJKXPZCKAKB-UHFFFAOYSA-N,3,1,0.419,46,223,457.347,4.031,5,0.278,0.58,0.995,0.7732506339524364,0.6755876910424234,0.9045987252415872,0.8771074635049003,0.8076361284353368
EOS-3-52049,COCc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c2)ncn1,CVLNHOQEVURMES-UHFFFAOYSA-N,3,1,0.452,65,578,474.912,3.46,5,0.312,0.49,1.0,0.4650897813720787,0.4513741347405935,0.4719518881502296,0.4172349393461723,0.4514126859022685
EOS-3-52050,CC#Cc1nc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ccc1Cl,APFAQLLTUFLQNH-UHFFFAOYSA-N,3,1,0.426,66,646,402.845,2.901,4,0.529,0.68,1.0,0.2510365979028168,0.22353676924131313,0.4993917483380166,0.42052463847577276,0.3486224384894798
EOS-3-52051,c1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)cc2)co1,KCCABZBBMNISJF-UHFFFAOYSA-N,3,1,0.333,69,958,406.405,4.768,6,0.416,0.78,1.0,0.23180385168939757,0.17278630662737304,0.7172486464258789,0.6952145157974093,0.45426333013501474
EOS-3-52052,c1nc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)cnn2)cs1,QPSKEWDLUQABHM-UHFFFAOYSA-N,3,1,0.488,65,778,408.472,2.783,5,0.422,0.62,1.0,0.4724659036392297,0.37325234733739976,0.061476252484408196,0.07055719279007608,0.24443792406277845
EOS-3-52053,CC#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(C(N)=O)nn4)n23)cn1,OGONOWPRJILFCV-UHFFFAOYSA-N,3,1,0.385,68,457,404.365,1.165,4,0.49,0.65,0.99,0.46022376807621135,0.27958159139195393,0.17932287026249058,0.13192207525186758,0.2627625762456309
EOS-3-52054,Clc1ccc(-c2nnc3cncc(-c4nnc5cncc(OCc6cc(Cl)ccn6)n45)n23)cc1,IIBMHLHXBCTMEZ-UHFFFAOYSA-N,3,1,0.529,4,32,490.314,4.177,6,0.354,0.68,1.0,0.5406157905558221,0.8358919882119115,0.4891971078061819,0.7007230484545267,0.6416069837571106
EOS-3-52055,Cn1c(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cn2)nc2cnccc21,JONPDCONIHIXFL-UHFFFAOYSA-N,3,1,0.408,55,564,487.886,3.902,6,0.36,0.62,1.0,0.689551778493592,0.6465372489891029,0.5373346583510383,0.567747241450209,0.6102927318209855
EOS-3-52056,Clc1ccnc(COc2cncc3nnc(-c4cccc(-c5ncn[nH]5)c4)n23)c1,OPOZGWZNDRBUHB-UHFFFAOYSA-N,3,1,0.552,4,506,404.821,3.204,5,0.479,0.67,1.0,0.4415821396751422,0.555496538962374,0.5099376327873346,0.5481632513193064,0.5137948906860393
EOS-3-52057,Fc1cccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)c1,HVQJZPLNONCIDQ-UHFFFAOYSA-N,3,1,0.405,21,810,443.485,6.326,6,0.32,0.81,1.0,0.28831985470495514,0.4339832773627579,0.8989959564114866,0.9310705229250908,0.6380924028510726
EOS-3-52058,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(COC(F)F)nc4F)n23)ncn1,KWCRFIKBOYRODP-UHFFFAOYSA-N,3,1,0.363,31,395,483.414,2.834,5,0.307,0.57,0.366,0.5727331916935097,0.4866698649852649,0.6695737098211226,0.5481718182441231,0.5692871461860051
EOS-3-52059,c1cc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5cscn5)cc4)n23)cs1,JTRIXMOLHCHEDK-UHFFFAOYSA-N,3,1,0.319,32,174,444.57,5.767,6,0.345,0.63,1.0,0.10324001096566376,0.13422657802755122,0.3554160098690974,0.44574566513604275,0.25965706599958877
EOS-3-52060,FC(F)c1cc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)s4)n23)ccc1Cl,JPBDEUUEIVCDPL-UHFFFAOYSA-N,3,1,0.512,97,214,470.892,5.48,5,0.327,0.71,0.996,0.8445274484271126,0.8892810636693852,0.8895123706394352,0.877116030429717,0.8751092282914125
EOS-3-52061,Clc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnn(-c5cccnc5Cl)n4)n23)cc1,NZFMALDBCGYNRP-UHFFFAOYSA-N,3,1,0.318,10,507,488.302,3.593,6,0.342,0.62,0.717,0.03272565279967103,0.1989839627167432,0.19237886368309232,0.41724350627098894,0.21033299636762387
EOS-3-52062,Fc1cnnc(COc2cncc3nnc(-c4ccc(C(F)F)nc4Cl)n23)c1,KISMGVCBXIGICD-UHFFFAOYSA-N,3,1,0.482,68,127,407.743,3.285,4,0.469,0.57,1.0,0.6410115824823521,0.8463008018641628,0.8158710849153588,0.8102597491604414,0.7783608046055788
EOS-3-52063,Cc1noc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)n1,MHWSXSOFXNVNIV-UHFFFAOYSA-N,3,1,0.385,50,243,406.356,3.544,5,0.446,0.67,0.999,0.3371598930847783,0.3538910972517305,0.502912754437667,0.4331694195051744,0.40678329106983757
EOS-3-52064,CCn1c(C)nc(-c2ncc(Cl)cn2)c1-c1cncc2nnc(-c3ccc(C(=O)NC)c(F)c3)n12,JQXHEHOPTXTALY-UHFFFAOYSA-N,3,1,0.312,74,413,491.918,3.592,5,0.399,0.68,0.971,0.2883284216297718,0.30021074635049005,0.10466212048523062,0.13405523953121787,0.2068141319991776
EOS-3-52065,CCn1ccc(-c2ncsc2-c2nnc3cncc(-c4ccc(-c5ccccc5)cc4)n23)cc1=O,DYZWZGRJOWJPEM-UHFFFAOYSA-N,3,1,0.308,93,220,476.565,5.43,6,0.332,0.71,1.0,0.24014803646083202,0.10802892193818107,0.46490987595092864,0.5319289287917209,0.3362539407854157
EOS-3-52066,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c(Cl)n2)ncc1F,HDJNZOUIPFRGEV-UHFFFAOYSA-N,3,1,0.484,55,223,483.294,4.372,5,0.34,0.59,1.0,0.8538225618531972,0.8394386950860119,0.5639435268316085,0.616981358371599,0.7185465355356042
EOS-3-52067,FC(F)COCc1cncc2nnc(-c3ccnc(-c4ncc(Cl)cn4)c3)n12,SZTLLLATPZGJSD-UHFFFAOYSA-N,3,1,0.426,68,775,403.78,3.078,4,0.488,0.71,1.0,0.460232335001028,0.46020663422657804,0.6416369679939689,0.6572801727092044,0.5548390274826949
EOS-3-52068,Cc1cnc(-c2cccc(-c3nnc4cncc(OCCc5cc6ccccc6cc5F)n34)c2)cn1,AUGQAEOENMDZEH-UHFFFAOYSA-N,3,1,0.505,79,891,476.515,5.471,6,0.317,0.67,1.0,0.8959632650263861,0.8760537317524502,0.8056850113083408,0.7904958536083887,0.8420494654238915
EOS-3-52069,Cc1nc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)c(F)c4)n23)ccc1-c1ccccn1,SWQCZCMGKHYEAX-UHFFFAOYSA-N,3,1,0.467,1,348,480.425,5.294,5,0.318,0.69,0.999,0.8869251593448015,0.8394472620108286,0.9778887670481804,0.9435953670070591,0.9119641388527174
EOS-3-52070,O=C1c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnc6)nc5)n34)CCCCN1nc2F,HNWOXAUAHDYPMX-UHFFFAOYSA-N,3,1,0.39,5,741,466.48,3.867,6,0.454,0.5,0.285,0.15447878829415393,0.21320505791241176,0.006322390514700843,0.014058323624151874,0.0970161400863546
EOS-3-52071,Cc1nc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)cs1,OGXLPNWPRBJXTJ-UHFFFAOYSA-N,3,1,0.489,72,132,484.372,4.942,5,0.337,0.72,1.0,0.6558237954903707,0.8252775683640601,0.4363477486121582,0.5284421903913371,0.6114728257144815
EOS-3-52072,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccnn6C)cc5F)n34)nn2)n(C)n1,WOPLCEBWUCRGRJ-UHFFFAOYSA-N,3,1,0.357,67,622,482.483,3.622,6,0.366,0.52,1.0,0.49461140429031597,0.4820437255842643,0.3256716469056268,0.2579843739291344,0.39007778767733536
EOS-3-52073,CCc1ccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C)cc5Cl)n34)cn2)cc1,QPHJXSLZFWETPP-UHFFFAOYSA-N,3,1,0.456,62,528,441.922,6.17,5,0.326,0.8,1.0,0.7410732643410322,0.8788636830923172,0.8707336714412994,0.8408351038311288,0.8328764306764445
EOS-3-52074,Cn1cc(Cl)nc1-c1ccc(Oc2cncc3nnc(-c4ncccn4)n23)nc1,UUBZDDDEJSWAKQ-UHFFFAOYSA-N,3,1,0.33,7,242,405.809,2.823,5,0.449,0.68,1.0,0.5048146117469673,0.4780172709204304,0.1239891028716332,0.14088307861010213,0.3119260160372832
EOS-3-52075,COc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,KOHKZZOQYUMQMZ-UHFFFAOYSA-N,3,1,0.527,35,265,482.928,4.732,5,0.331,0.61,1.0,0.7987543691316565,0.7282143101912137,0.7456051675690494,0.695223082722226,0.7419492324035364
EOS-3-52076,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)c(Cl)n4)n23)c1Cl,YKRXIWUVXDLTLB-UHFFFAOYSA-N,3,1,0.484,19,442,482.306,4.711,5,0.324,0.61,1.0,0.8422486464258789,0.8618669042560483,0.7952247961071893,0.8584401343293812,0.8394451202796245
EOS-3-52077,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(COCC)cc4)n23)cc1,GZDLANSFVZZEER-UHFFFAOYSA-N,3,1,0.372,0,862,401.47,3.745,4,0.51,0.88,1.0,0.3044171064354739,0.1342351449523679,0.4685679528476458,0.29983380165855666,0.30176350147351105
EOS-3-52078,O=C(O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(Cl)c4)n23)c(F)c1,SCXXSYMVSRWUQY-UHFFFAOYSA-N,3,1,0.478,23,646,400.772,4.012,4,0.559,0.87,1.0,0.4534815982454938,0.3828216023576177,0.9433554931121925,0.939526077719142,0.6797961928586115
EOS-3-52079,Cn1nc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1cccc(Cl)c1F,FVAYGCKQXTYVBS-UHFFFAOYSA-N,3,1,0.6,19,570,483.334,5.259,5,0.33,0.74,1.0,0.567130422863409,0.6319734768007675,0.8607960386539648,0.9107926118840382,0.7426731375505449
EOS-3-52080,N#Cc1cc(-c2ncc(F)cn2)cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,CXASVNQUDTUMLR-UHFFFAOYSA-N,3,1,0.524,59,665,477.381,4.255,5,0.275,0.6,1.0,0.944786169556576,0.9013004591871702,0.9698958261942293,0.962836680145295,0.9447047837708176
EOS-3-52081,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4sncc4-c4cccnn4)n23)cc1F,PIXYDXGOUXSALV-UHFFFAOYSA-N,3,1,0.467,6,247,485.508,3.823,6,0.35,0.59,1.0,0.6237663628263999,0.6134432184223151,0.3183383592625591,0.3216708930162429,0.4693047083818792
EOS-3-52082,Cc1c(Cl)cccc1-c1nnc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)s1,QSEFNYGUESSZAK-UHFFFAOYSA-N,3,1,0.304,76,887,483.948,4.791,6,0.352,0.63,0.779,0.129925981769584,0.3002193132753067,0.2780995133986704,0.38920396134603524,0.27436219244739907
EOS-3-52083,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cc2C)cn1,CQYWATKDDLCMRG-UHFFFAOYSA-N,3,1,0.538,35,4,462.966,5.202,5,0.345,0.56,1.0,0.7350335823452814,0.8019069974641903,0.6237149612774998,0.577213693372627,0.6844673086148996
EOS-3-52084,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(C)c5F)n34)cnc2Cl)s1,YDZQMTOOSISHSZ-UHFFFAOYSA-N,3,1,0.505,87,142,482.932,4.131,5,0.333,0.61,1.0,0.6096909053526146,0.7683674868069358,0.2743986018778699,0.29667260640120624,0.4872824001096566
EOS-3-52085,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)ccn2)o1,CMHWIKCYVGJDRJ-UHFFFAOYSA-N,3,1,0.407,46,915,404.365,2.658,5,0.436,0.71,1.0,0.6381245288191351,0.44715920773079293,0.20270200808717703,0.19382667397710918,0.3704531046535535
EOS-3-52086,COc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,WHWJODWJYGADTI-UHFFFAOYSA-N,3,1,0.478,65,265,484.904,3.522,5,0.342,0.57,0.826,0.5809917072167775,0.6225412925776164,0.3365944760468782,0.34078370228222876,0.47022779453087526
EOS-3-52087,FC(F)(c1ccc(Cl)cn1)c1cncc2nnc(-c3ccc(-c4cccc(Cl)c4)nc3)n12,SCFXCHOPKYYVCU-UHFFFAOYSA-N,3,1,0.407,14,358,469.282,5.695,5,0.338,0.67,0.999,0.3197176341580426,0.5649801247344254,0.9865670618874649,0.985556164759098,0.7142052463847577
EOS-3-52088,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccccc4Oc4cccc(F)c4F)n23)cn1,PCUSZTDKEGUJBB-UHFFFAOYSA-N,3,1,0.316,30,192,481.466,5.324,6,0.331,0.7,0.955,0.3442104722088959,0.3967685559591529,0.8175502021794256,0.7973065588376397,0.5889589472962785
EOS-3-52089,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)nc(CF)n4C)n23)cc1F,KGZVFRROFCRBMM-UHFFFAOYSA-N,3,1,0.489,37,353,484.898,3.809,5,0.349,0.6,1.0,0.612723596737715,0.6709101500925228,0.2596549242683846,0.33440134329381127,0.4694225035981084
EOS-3-52090,Clc1cc(Cl)cc(CCOc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c1,GGPXMHMFASOFDZ-UHFFFAOYSA-N,3,1,0.617,91,660,468.369,5.843,5,0.313,0.73,1.0,0.7847902816804879,0.8813566582139675,0.8285758344184772,0.8743060790898499,0.8422572133506957
EOS-3-52091,Fc1ncc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc2F)cn1,ALLKJJRTYSPJOG-UHFFFAOYSA-N,3,1,0.643,27,996,483.385,4.102,5,0.252,0.75,1.0,0.9086851483791378,0.962759577821945,0.9153759166609554,0.8771245973545336,0.9159863100541429
EOS-3-52092,CCc1nn(C)c(-c2ccc(F)cc2)c1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,LAYVDABSMISFAP-UHFFFAOYSA-N,3,1,0.358,69,625,475.531,5.622,6,0.323,0.74,1.0,0.1327445000342677,0.30517956274415736,0.5339078884243712,0.6016551298745803,0.3933717702693441
EOS-3-52093,Fc1nc(-c2ccsc2)cnc1COc1cncc2nnc(-c3ccncc3)n12,LMDDKGQLBFMHFH-UHFFFAOYSA-N,3,1,0.525,7,496,405.418,3.423,5,0.442,0.7,1.0,0.5782417243506272,0.5795524638475773,0.3478599821807964,0.35040435885134674,0.46401463230758694
EOS-3-52094,Cn1ccc(-c2cncc3nnc(-c4ccc(-c5cc(C(F)F)nn5C)nn4)n23)n1,MEIMPRFNTAWNKT-UHFFFAOYSA-N,3,1,0.256,53,542,408.376,2.32,5,0.449,0.53,0.702,0.07720512644781029,0.1379360564731684,0.25263861284353367,0.21129463367829485,0.1697686073607018
EOS-3-52095,Cc1csc(COc2cncc3nnc(-c4cccc(-c5ncc(C#N)c6ccccc56)c4)n23)n1,OUWAGAIMFSCEQE-UHFFFAOYSA-N,3,1,0.5,28,891,475.537,5.222,6,0.337,0.72,1.0,0.469801590021246,0.564988691659242,0.547580700431773,0.5514957850729902,0.5334666917963128
EOS-3-52096,Cn1cncc1-c1cc(F)c(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1Cl,LPWSAKUBHNNIFK-UHFFFAOYSA-N,3,1,0.442,31,773,485.31,4.049,5,0.335,0.59,0.999,0.6682801041738058,0.6086029059008978,0.5996504694674799,0.657288739634021,0.6334555547940511
EOS-3-52097,CCOc1nc(-c2cnc(C)nc2)ccc1-c1cncc2nnc(-c3ncc(-c4ccccn4)cn3)n12,UISCBMLEUITFOH-UHFFFAOYSA-N,3,1,0.297,94,165,488.515,3.869,6,0.34,0.67,0.972,0.28551847028990474,0.12751867589610033,0.1417140703173189,0.09463881844972928,0.1623475087382633
EOS-3-52098,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ncc(-c6cncnn6)s5)n34)cc2)n1C,ORAZAYAKGJNZKR-UHFFFAOYSA-N,3,1,0.448,56,415,482.533,3.388,6,0.351,0.49,1.0,0.3741861421424166,0.31551127407305873,0.12399766979644987,0.09265985881707903,0.22658873620725106
EOS-3-52099,Cn1cc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c2)cn1,SMUZVDJKLGOCCJ-UHFFFAOYSA-N,3,1,0.531,13,145,404.38,4.262,5,0.448,0.81,1.0,0.4922297991912823,0.5233791378246865,0.9012576245630869,0.8813052566650675,0.6995429545610308
EOS-3-52100,Clc1cncc(COc2cncc3nnc(-c4cnc(-n5cccn5)nc4)n23)n1,ONZQWCWTVOABHU-UHFFFAOYSA-N,3,1,0.434,7,94,406.797,1.789,5,0.429,0.63,1.0,0.21818244123089575,0.25895243643341787,0.07390686039339318,0.09464738537454595,0.1614222808580632
EOS-3-52101,COC(=O)c1ccc(-c2nnc3cncc(-c4cn(CCl)nc4-c4ccc(F)c(F)c4)n23)nc1,YWFNCDXRHCCLMH-UHFFFAOYSA-N,3,1,0.309,22,315,481.85,3.978,5,0.276,0.68,0.997,0.2347508738263313,0.3492906586251799,0.6086971420738811,0.589721403604962,0.44561501953258853
EOS-3-52102,O=[N+]([O-])c1cc(C(F)F)ccc1-c1nnc2cncc(Cc3ccc(F)c(F)c3)n12,HNJSRXXJVLHHOQ-UHFFFAOYSA-N,3,1,0.406,23,225,417.322,4.506,4,0.271,0.73,0.964,0.40500137070797065,0.4961620176821328,0.9653296552669454,0.927763689945857,0.6985641834007265
EOS-3-52103,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)ccc1F,SSJLKGWLFDFZAF-UHFFFAOYSA-N,3,1,0.517,88,222,482.853,4.941,5,0.319,0.69,1.0,0.9730141868274964,0.979704955109314,0.8931104790624358,0.9226920704543897,0.9421304228634089
EOS-3-52104,Cn1cc(-c2cc(C(F)F)ccc2-c2nnc3cncc(-c4cccc(-c5ccoc5)n4)n23)cn1,FKTVEULQSGNYLX-UHFFFAOYSA-N,3,1,0.284,32,714,469.455,5.451,6,0.334,0.63,1.0,0.15448735521897058,0.20349873209512714,0.8883815365636352,0.8517407991227469,0.52452710575012
EOS-3-52105,Cn1nc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1-c1cccc(C(F)F)n1,ZWZDHAYTCYGONP-UHFFFAOYSA-N,3,1,0.41,95,998,484.417,3.819,5,0.324,0.59,0.972,0.504823178671784,0.4158813652251388,0.7592694126516346,0.7033702282228771,0.5958360461928587
EOS-3-52106,CCC(F)(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)cnn2)cn1,KPSJSDGGDCARCL-UHFFFAOYSA-N,3,1,0.455,20,658,475.463,3.557,5,0.332,0.44,0.999,0.5671389897882256,0.6465458159139196,0.5802378178329107,0.4205332054005894,0.5536139572339113
EOS-3-52107,Cc1noc(-c2nccc(-c3cncc4nnc(-c5ccc(C(=O)Nc6ccc(F)cc6)cc5)n34)n2)n1,OJEKMHSPXHYPJC-UHFFFAOYSA-N,3,1,0.394,32,837,493.462,3.998,6,0.378,0.78,1.0,0.12416044136796656,0.2035072990199438,0.2559111781235008,0.22262867521074636,0.20155189843053936
EOS-3-52108,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)cs4)n23)ccc1-c1cncc(C)n1,MUEFIZBNMJTKPU-UHFFFAOYSA-N,3,1,0.415,7,690,463.954,4.808,5,0.357,0.5,0.813,0.4464224521965595,0.5555051058871907,0.2452881913508327,0.255157288739634,0.3755932595435542
EOS-3-52109,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncn5C)c(F)c4)n23)c(F)c1,MROLFJCHWBXBMP-UHFFFAOYSA-N,3,1,0.333,96,615,482.498,5.02,6,0.345,0.62,1.0,0.33235384826262765,0.37803269138510043,0.8372369954081283,0.8015900212459736,0.5873033890754574
EOS-3-52110,FC(F)(F)c1cncc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)n1,UNMGTTPVGARBPY-UHFFFAOYSA-N,3,1,0.318,42,150,491.462,4.576,6,0.356,0.82,1.0,0.045447536152422724,0.19430642176684257,0.823033034062093,0.7091443355493112,0.4429828318826674
EOS-3-52112,Fc1cccc(-c2ccc(F)cc2-c2nnc3cncc(-c4ncnc(-c5ccccc5F)n4)n23)c1,CGQYPZJEXAIYBM-UHFFFAOYSA-N,3,1,0.38,83,757,481.441,5.395,6,0.336,0.67,1.0,0.3533171132890138,0.5989479816325132,0.8707422383661161,0.917294907819889,0.685075560276883
EOS-3-52113,COc1cnc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)nn4C)n23)nc1,ZAMBLQSNWWSFFZ-UHFFFAOYSA-N,3,1,0.37,50,261,403.381,2.192,5,0.449,0.78,0.998,0.1762302104036735,0.32071139743677607,0.0652028647796587,0.0869457199643616,0.1622725481461175
EOS-3-52114,Fc1cccc(-c2nnc3cncc(-c4cc(F)nc(-c5cnc(F)cn5)c4)n23)c1,PWZUZAMFFXHFNG-UHFFFAOYSA-N,3,1,0.479,96,575,405.343,3.728,5,0.426,0.71,1.0,0.2694297854842026,0.5141525597971353,0.8451014323898294,0.8743146460146666,0.6257496059214585
EOS-3-52115,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncn6)cc5F)n34)cc2F)n1,ZHLKHMWAIAXSIX-UHFFFAOYSA-N,3,1,0.329,3,192,482.429,4.79,6,0.334,0.58,1.0,0.47247447056404634,0.6036854910561305,0.887250702487835,0.8882358988417518,0.712911640737441
EOS-3-52116,Cc1nc(-c2ccc(-c3nnc4cncc(-c5c(-c6ccccc6F)nc(C)n5C)n34)nc2)cs1,AZPWDXCBQOZCNB-UHFFFAOYSA-N,3,1,0.318,32,179,482.548,5.133,6,0.346,0.67,0.446,0.1353488451785347,0.26409259132341856,0.2702779110410527,0.2998423685833733,0.24239042903159483
EOS-3-52117,Fc1cnc(Cl)c(COc2cncc3nnc(-c4cccc(-c5cnc(Cl)s5)c4)n23)c1,URNZWVHVGIMUMO-UHFFFAOYSA-N,3,1,0.5,97,91,473.32,5.335,5,0.321,0.7,1.0,0.8172417928860256,0.7853385648687548,0.8533171132890138,0.8813138235898842,0.8343028236584197
EOS-3-52118,Fc1ccc(Cl)c(-c2ncccc2-c2cncc3nnc(-c4cc(F)ccc4Cl)n23)c1,HJFNFZAXJURETM-UHFFFAOYSA-N,3,1,0.403,45,533,454.267,6.105,5,0.33,0.72,1.0,0.36253512439174834,0.6036940579809471,0.977897333972997,0.9929665547255158,0.7342732677678021
EOS-3-52119,Cc1cc(-c2ccccn2)cc(-c2nnc3cncc(OCCc4ncc(Cl)cc4Cl)n23)c1,MLUPETNXQOXPKZ-UHFFFAOYSA-N,3,1,0.473,11,275,477.355,5.485,5,0.322,0.66,1.0,0.822673223219793,0.7810465355356041,0.7330974573367144,0.7927917894592557,0.7824022513878417
EOS-3-52120,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc[nH]5)c(F)n4)n23)c(F)c1F,WBYJTNGTWTVZOP-UHFFFAOYSA-N,3,1,0.436,59,223,441.348,3.712,5,0.254,0.58,0.896,0.8095915290247413,0.7554656980330341,0.917217805496539,0.9039305051058872,0.8465513844150504
EOS-3-52121,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4csc(-c5ccnc(F)c5)n4)n23)c1,JYTRRZJJUPBTQN-UHFFFAOYSA-N,3,1,0.484,40,667,484.52,4.428,6,0.323,0.68,1.0,0.43707593722157495,0.4912703036118155,0.4104756356658214,0.3666815160030156,0.42637584812555684
EOS-3-52122,Fc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)n2)cc1,MAFXNAJEMHOTDY-UHFFFAOYSA-N,3,1,0.392,93,950,479.906,5.77,6,0.319,0.76,1.0,0.3122901103419916,0.6319820437255843,0.8533256802138305,0.9205075046261394,0.6795263347268864
EOS-3-52123,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nc(C)c(F)[nH]1,FKRWGLXFVCPQGH-UHFFFAOYSA-N,3,1,0.427,31,690,478.919,4.256,5,0.348,0.57,0.492,0.5868000822424783,0.5898070728531286,0.30717565622644094,0.30634466451922415,0.44753186896031794
EOS-3-52124,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ccnc(Cl)c1,LDHQWCWPHZHBTJ-UHFFFAOYSA-N,3,1,0.516,11,639,481.318,5.316,5,0.306,0.73,1.0,0.954483928449044,0.9681995750805291,0.890574669316702,0.9217068741004729,0.933741261736687
EOS-3-52125,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nc2F)n1,FQYGODFYEQTGJY-UHFFFAOYSA-N,3,1,0.418,31,773,481.854,3.295,5,0.337,0.48,0.878,0.8042971694880405,0.7935628126927559,0.40367349736138713,0.4425073675553423,0.6110102117743814
EOS-3-52126,CC1CC1NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)c(Cl)c1,DYLLYMKWDYJNAW-UHFFFAOYSA-N,3,1,0.4,66,264,486.885,4.588,5,0.446,0.54,0.999,0.3197262010828593,0.46467000205606196,0.959975327256528,0.9129429100130217,0.6643286101021177
EOS-3-52127,Cc1nsc(COc2cncc3nnc(-c4ccc(-c5noc(C)n5)nc4)n23)n1,QMKFWACGACLHGA-UHFFFAOYSA-N,3,1,0.424,7,535,407.419,2.284,5,0.427,0.64,1.0,0.32718799259817694,0.33439277636899456,0.007341854567884313,0.0034781714755671303,0.16810019875265575
EOS-3-52129,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)c(Cl)c1,UNOVBVHBFPBULA-UHFFFAOYSA-N,3,1,0.522,26,832,484.322,4.654,5,0.326,0.64,1.0,0.8043057364128572,0.8060105544513742,0.8518778699198136,0.8665787129052156,0.8321932184223151
EOS-3-52130,Fc1cnn(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)cc2F)c1,FBJLRCWOGSIRQJ-UHFFFAOYSA-N,3,1,0.581,88,607,472.377,4.294,5,0.272,0.61,1.0,0.662343225275855,0.7099838941813447,0.9704955109313961,0.9680882050579124,0.8277277088616269
EOS-3-52131,FC(F)c1csc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)n4)n23)n1,KDOVNBQGEKSMBI-UHFFFAOYSA-N,3,1,0.467,27,122,471.88,4.875,5,0.326,0.62,0.922,0.5536118155027071,0.6516260023302035,0.6116098965115482,0.6109845109999315,0.6069580563360976
EOS-3-52132,Cn1cnnc1-c1cc(Oc2cncc3nnc(-c4ccc(Cl)nc4)n23)n(C)n1,JYLVORKFJRIUTD-UHFFFAOYSA-N,3,1,0.371,36,292,408.813,2.161,5,0.415,0.62,1.0,0.3580717565622644,0.5278767733534371,0.06962339798505929,0.09266842574189568,0.26206008841066414
EOS-3-52133,Cc1csc(COc2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)nc4)n23)n1,KJUWKALWLZBNEF-UHFFFAOYSA-N,3,1,0.456,7,464,405.447,2.624,5,0.474,0.72,1.0,0.3394472620108286,0.39677712288396955,0.025478034404770065,0.013175930368035091,0.19371958741690082
EOS-3-52134,Fc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4ccnc(Cl)c4)cc3)n12,NETWDAXLURGVDC-UHFFFAOYSA-N,3,1,0.329,9,38,480.894,5.165,6,0.321,0.64,1.0,0.3787009115208005,0.5278853402782537,0.8872592694126517,0.9095932424097046,0.6758596909053527
EOS-3-52135,CCn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,RZJAVPOHYYLTIH-UHFFFAOYSA-N,3,1,0.325,8,474,485.964,4.909,6,0.32,0.69,1.0,0.1353574121033514,0.24399458570351587,0.12400623672126654,0.2551658556644507,0.18963102254814612
EOS-3-52136,Fc1cc(-c2nnc3cncc(OCc4nc(-c5ncccn5)cs4)n23)ccc1-c1cnccn1,XATHUOCIHASDNA-UHFFFAOYSA-N,3,1,0.511,80,355,483.492,3.88,6,0.348,0.59,1.0,0.6744568569666233,0.6855424576793914,0.27440716880268656,0.28492735247755463,0.479833458981564
EOS-3-52137,CCn1c(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)nc(C)c1C,MGJPCNFHZXBVAG-UHFFFAOYSA-N,3,1,0.688,91,309,472.98,5.566,5,0.31,0.75,1.0,0.522796586937153,0.5007453224590501,0.35894558289356454,0.3826673977109177,0.4412887225001713
EOS-3-52138,Fc1cncc(F)c1COc1cncc2nnc(-c3cc(-c4cn[nH]c4)ccn3)n12,FPOZLYQCSFRANS-UHFFFAOYSA-N,3,1,0.391,46,980,406.356,2.829,5,0.478,0.6,1.0,0.6351004043588514,0.46901343293811254,0.7020166541018436,0.6867503940785415,0.6232202213693372
EOS-3-52139,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cn5)n34)c(F)c2)ccn1,JFZFRSOYLADHDN-UHFFFAOYSA-N,3,1,0.372,93,651,462.463,5.861,6,0.307,0.71,1.0,0.3219707353848263,0.5464070317318895,0.932072853128641,0.9436039339318758,0.6860136385443082
EOS-3-52140,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc1Cl,MPFPOHRUXOKCJY-UHFFFAOYSA-N,3,1,0.667,59,96,484.322,5.095,5,0.334,0.71,1.0,0.7292937427181139,0.8252861352888767,0.7781166472483038,0.8426941265163457,0.79384766294291
EOS-3-52141,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)c4)n23)cc(-c2ccnc(CF)c2)n1,QTBYWJJZKQWFNN-UHFFFAOYSA-N,3,1,0.607,59,11,478.89,5.398,5,0.325,0.68,1.0,0.9266328558700568,0.8675296415598657,0.9067661572202043,0.8869765608937016,0.8969763038859571
EOS-3-52142,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OCc4cccc(F)c4)n23)c(Cl)c1,HRMWXABILZCUFE-UHFFFAOYSA-N,3,1,0.388,62,504,488.91,4.584,5,0.376,0.65,1.0,0.4897539579192653,0.5370519498320883,0.7781252141731204,0.7277002947022136,0.6331578541566719
EOS-3-52143,Cc1cc(-c2cncc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)ccc1Cl,QLHRCZVXYWRWGR-UHFFFAOYSA-N,3,1,0.419,2,379,482.306,4.977,5,0.327,0.69,1.0,0.747241450209033,0.7894763895552053,0.82481495442396,0.8602049208416147,0.8054344287574533
EOS-3-52144,FCc1nc(-c2cc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c(F)cn2)ncc1Cl,ZHZIWEJMFFKLFQ-UHFFFAOYSA-N,3,1,0.385,46,915,484.829,4.018,5,0.356,0.54,1.0,0.7732592008772531,0.7767459392776369,0.614711123295182,0.6748595024330066,0.7098939414707697
EOS-3-52145,N=c1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)n[nH]1,VIJUORMYXRIETG-UHFFFAOYSA-N,3,1,0.593,15,796,411.429,2.072,5,0.437,0.61,1.0,0.6623517922006716,0.47802583784524705,0.15673188952093756,0.12327804811184977,0.3550968919196765
EOS-3-52146,Cc1cc(-c2nnc3cncc(-c4cnc(OCC(F)F)cn4)n23)ccc1Cl,OJXUMUKMLNIKIP-UHFFFAOYSA-N,3,1,0.383,68,861,402.792,3.854,4,0.504,0.79,1.0,0.6589678568980879,0.8463093687889796,0.8813309574395175,0.8632890137756151,0.81247429922555
EOS-3-52147,O=C(NCC1CC1(F)F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,DCGPSGMUMMOMFS-UHFFFAOYSA-N,3,1,0.538,66,536,489.935,4.513,5,0.394,0.69,1.0,0.6623603591254883,0.5278939072030704,0.7781337810979371,0.7693783839353026,0.6844416078404496
EOS-3-52148,c1ccc(-c2ncsc2COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cc1,MUWGDGZQJDIEOC-UHFFFAOYSA-N,3,1,0.506,12,427,468.567,5.617,6,0.316,0.75,1.0,0.5782502912754438,0.5233877047495031,0.39275923514495237,0.40136042766088686,0.47393941470769657
EOS-3-52149,c1csc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccsc6)s5)n34)cc2)c1,LFVAGWOAXOQCIQ-UHFFFAOYSA-N,3,1,0.311,38,787,444.57,5.767,6,0.345,0.64,1.0,0.06193886642450826,0.1452522102666027,0.2890908779384552,0.3951836748680694,0.22286640737440888
EOS-3-52151,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cc1,IYOGXXZIGRWUPY-UHFFFAOYSA-N,3,1,0.395,69,152,479.906,5.77,6,0.319,0.77,0.995,0.33716846000959494,0.5510931396066068,0.8533342471386471,0.8951065725447194,0.659175604824892
EOS-3-52152,Cc1nc(-c2ccc(Cc3cncc4nnc(-c5ccc(Cl)cn5)n34)nn2)no1,BCMLQSVQFOVMNK-UHFFFAOYSA-N,3,1,0.363,85,60,405.809,2.579,5,0.444,0.62,0.999,0.1791001302172572,0.2795901583167706,0.04661263792748955,0.09658351038311287,0.15047160921115757
EOS-3-52153,Clc1ccc(-c2ncnnc2-c2nnc3cncc(OCc4nccc(-c5nnco5)n4)n23)cc1,HBFBSWYIPSWNFK-UHFFFAOYSA-N,3,1,0.384,71,356,485.855,2.716,6,0.34,0.56,0.732,0.47493317798643,0.4733911315194298,0.07818175587691042,0.14317044753615243,0.29241912822973065
EOS-3-52154,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)c(F)c1F,BSRKRPFTFGJYMU-UHFFFAOYSA-N,3,1,0.432,59,445,452.371,4.384,5,0.224,0.65,1.0,0.832653690631211,0.8213624837228428,0.9614317044753615,0.9527619765608937,0.8920524638475772
EOS-3-52155,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(F)nc5)n34)[nH]n2)nc1,OSZAYYYGSRFLEF-UHFFFAOYSA-N,3,1,0.409,55,930,407.344,2.224,5,0.441,0.62,0.8,0.5782588582002605,0.5649972585840587,0.3629634706325817,0.36669008292783223,0.46822741758618325
EOS-3-52156,COc1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1Cl,KTXQJPBYSOCQPO-UHFFFAOYSA-N,3,1,0.562,90,555,403.776,3.706,4,0.473,0.76,1.0,0.9678825988623124,0.9555205263518607,0.9370930710712083,0.9084881091083544,0.942246076348434
EOS-3-52157,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccc2C(F)F)nc1,BDQUTMZHSKRCNJ-UHFFFAOYSA-N,3,1,0.535,73,82,483.841,4.952,5,0.337,0.65,1.0,0.9007007744500034,0.9290401617435405,0.9229747789733397,0.9096018093345213,0.9155793811253512
EOS-3-52158,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCc4nc(-c5cncc(F)n5)no4)n23)cc1,WAGDNJGHWBWANJ-UHFFFAOYSA-N,3,1,0.423,80,355,486.402,2.946,6,0.343,0.62,1.0,0.6351089712836681,0.6037026249057639,0.20989822493317797,0.28493591940237134,0.4334114351312453
EOS-3-52160,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(C5CC5)nc4CC)n23)cn1,JLZBOOGAORVRAJ-UHFFFAOYSA-N,3,1,0.337,63,66,402.462,2.697,5,0.532,0.79,1.0,0.029059008978137207,0.026591734630936878,0.004017887739017202,0.003186896031800425,0.015713881844972927
EOS-3-52161,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)cn1,BIXLOKYQVBOALG-UHFFFAOYSA-N,3,1,0.421,68,542,400.324,2.022,4,0.56,0.82,1.0,0.2265009252278802,0.29525049688163935,0.6351004043588514,0.41725207319580565,0.39352597491604413
EOS-3-52162,COc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cc5OC)n34)cc2)nc1,VWLXFICEGAFGDU-UHFFFAOYSA-N,3,1,0.341,9,867,489.499,3.785,6,0.341,0.65,1.0,0.3122986772668083,0.024338633404153244,0.4822921664039476,0.3312144472620108,0.28753598108423
EOS-3-52163,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1Oc1ccccc1,ZFIQQRQCVANYLK-UHFFFAOYSA-N,3,1,0.557,88,881,479.874,5.532,5,0.305,0.73,0.999,0.9761239805359468,0.9643187581385786,0.937101637996025,0.9386608183126585,0.9540512987458023
EOS-3-52164,Cn1ccnc1-c1cc(C(F)(F)F)cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)n1,CLOVMEFLRIXOOC-UHFFFAOYSA-N,3,1,0.4,46,128,486.845,4.233,5,0.367,0.61,0.732,0.6293262970324173,0.7683760537317524,0.9001353574121034,0.8388732780481118,0.7841777465560962
EOS-3-52165,FCCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)c1,HUEDEIFTWMJBTE-UHFFFAOYSA-N,3,1,0.516,26,626,481.894,4.433,5,0.305,0.6,1.0,0.7410818312658488,0.7330631896374478,0.7355818655335481,0.7490148036460832,0.739685422520732
EOS-3-52166,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C5CCCC5)nn4)n23)nc1,YAPMKYDBVPXJIW-UHFFFAOYSA-N,3,1,0.28,63,108,401.434,2.056,5,0.551,0.75,1.0,0.07721369337262696,0.012362072510451648,0.0010108971283668015,0.001567747241450209,0.023038602563223907
EOS-3-52167,Fc1ccc(-c2ccsc2-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1F,JZONRMMWFWOAEH-UHFFFAOYSA-N,3,1,0.351,69,867,468.492,5.922,6,0.321,0.75,1.0,0.3810482489205675,0.5511017065314234,0.8813395243643342,0.8922966212048523,0.6764465252552944
EOS-3-52168,Fc1cc(Cl)cnc1CCOc1cncc2nnc(-c3ccc(Cl)nc3)n12,PFXBYSQUZUOOKF-UHFFFAOYSA-N,3,1,0.553,90,281,405.22,3.649,4,0.472,0.66,1.0,0.8515694606264136,0.9503718045370434,0.7146443012816119,0.8188523747515591,0.833859485299157
EOS-3-52169,CC#Cc1c(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cnn1CC,KXXJHYHRDBIAJK-UHFFFAOYSA-N,3,1,0.293,82,974,406.453,3.503,5,0.425,0.67,0.997,0.09812555685011308,0.08229387978891098,0.19925810431087657,0.1828867109862244,0.14064106298403123
EOS-3-52170,Fc1cc(C(F)F)ccc1-c1nnc2cncc(OCc3nc(-c4ccsc4)cs3)n12,YAIDEYSIXMZTIO-UHFFFAOYSA-N,3,1,0.489,27,436,459.478,5.632,5,0.329,0.71,1.0,0.7137619080254952,0.8589370159687478,0.889520937564252,0.8730638749914331,0.833820934137482
EOS-3-52171,CCn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)c(F)c1,AHOMECKGLBKWTM-UHFFFAOYSA-N,3,1,0.495,37,79,482.882,4.018,5,0.323,0.58,1.0,0.5228051538619697,0.5989565485573298,0.5742324035364266,0.6344321842231513,0.5826065725447194
EOS-3-52172,Clc1ccnc(COc2cncc3nnc(-c4ccnc(-c5nc[nH]n5)c4)n23)c1,FNLBABTZWRWAAP-UHFFFAOYSA-N,3,1,0.553,7,486,405.809,2.599,5,0.473,0.6,1.0,0.4163011445411555,0.5095092865465013,0.2854156671921047,0.32790761428277704,0.38478342814063465
EOS-3-52173,Clc1ccnnc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)n1,GMHCOMHTBYNMGN-UHFFFAOYSA-N,3,1,0.362,6,584,484.871,2.451,6,0.37,0.49,1.0,0.5782674251250771,0.6086114728257145,0.09231718182441231,0.12328661503666644,0.3506206737029676
EOS-3-52174,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)nc4)n23)cc1,DCNIDAWNKQEASE-UHFFFAOYSA-N,3,1,0.387,0,169,399.414,1.798,5,0.559,0.9,1.0,0.06366938523747516,0.015112055376602014,0.004214927009800562,0.007401823041600987,0.02259954766636968
EOS-3-52175,Clc1nccc(OCc2cncc3nnc(-c4cccc(-c5nc[nH]n5)c4)n23)n1,ALJBQIWPUGDGSH-UHFFFAOYSA-N,3,1,0.359,47,351,405.809,2.599,5,0.443,0.67,1.0,0.4008892467959701,0.48205229250908094,0.2526471797683503,0.2519960934822836,0.3468962031389212
EOS-3-52176,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5nc(Cl)ccc5Cl)cn4)n23)cc1,VJTMKEICCVQREH-UHFFFAOYSA-N,3,1,0.561,34,929,484.734,5.183,5,0.317,0.76,1.0,0.8199575080529093,0.9366047563566582,0.7688558015214858,0.8714532931258995,0.8492178397642381
EOS-3-52177,Fc1ccc(Cl)c(F)c1-c1ncc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,GUELHQSFXMMTOE-UHFFFAOYSA-N,3,1,0.298,10,673,486.873,5.033,6,0.325,0.73,1.0,0.04994517168117332,0.24400315262833253,0.8304605578781441,0.8771331642793503,0.50038551161675
EOS-3-52178,C#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(OC)n4)n23)c(F)n1,YHJUUQXEPYIMSD-UHFFFAOYSA-N,3,1,0.364,7,896,455.413,2.141,5,0.278,0.45,0.998,0.7902988143376054,0.57435234048386,0.15674045644575424,0.09267699266671235,0.40351715098348295
EOS-3-52179,OC1(c2nc(-c3ccc(F)nc3)cc(-c3nnc4cncc(OCc5ccns5)n34)n2)COC1,AGCSVSAGQZXNDM-UHFFFAOYSA-N,3,1,0.38,18,62,478.469,2.036,6,0.361,0.48,0.999,0.48483654307449797,0.4690219998629292,0.10467068741004729,0.127552943595367,0.2965205434857104
EOS-3-52180,FCc1cc(-c2ccccc2F)cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)n1,SVKLFGPQSVWBEF-UHFFFAOYSA-N,3,1,0.588,19,198,477.902,5.737,5,0.299,0.74,1.0,0.7231169899252964,0.8291241176067439,0.8979679254334864,0.92467103008704,0.8437200157631416
EOS-3-52181,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ncco4)n23)c(F)c1,DZWCCTMXBBPFDR-UHFFFAOYSA-N,3,1,0.607,37,563,405.393,2.94,5,0.428,0.71,1.0,0.6806336097594408,0.5370605167569049,0.3589541498183812,0.32167945994105956,0.4745819340689466
EOS-3-52183,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c(Cl)n2)nc1,PHWLQFRDAULIPK-UHFFFAOYSA-N,3,1,0.457,4,338,481.303,3.933,5,0.333,0.54,1.0,0.632144815297101,0.685551024604208,0.40368206428620385,0.42054177232540607,0.5354799191282297
EOS-3-52184,Cc1noc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(Cl)cc5)n34)cc2F)n1,VMNXYUGLSHOQOT-UHFFFAOYSA-N,3,1,0.312,64,27,484.882,5.066,6,0.341,0.69,1.0,0.362543691316565,0.42924576793914054,0.5440511274073059,0.6518316085258036,0.49691804879720375
EOS-3-52185,Cn1nc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)n1C,YQSJFXRLHWLTRL-UHFFFAOYSA-N,3,1,0.483,92,128,405.397,2.038,5,0.441,0.71,1.0,0.41176924131313825,0.45138270166541017,0.09680625042834624,0.09268555959152902,0.2631609382496059
EOS-3-52186,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccc(Cl)s6)n5)n34)nc2)cc1,GVWMOFYQKHMISP-UHFFFAOYSA-N,3,1,0.276,29,136,482.96,5.396,6,0.332,0.73,0.855,0.17623877732849016,0.35389966417654717,0.41048420259063806,0.5015848810910836,0.3605518812966897
EOS-3-52187,CCCc1cncc2nnc(-c3cnc(Cl)c(-c4ncc(F)c(C5CC5)n4)c3)n12,SFKMYTPGTICGFC-UHFFFAOYSA-N,3,1,0.36,78,5,409.856,4.266,5,0.458,0.62,1.0,0.3966400520869029,0.5053286272359674,0.05935165512987458,0.21435302583784524,0.29391834007264755
EOS-3-52188,COc1cc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3nc(Cl)cnc3F)n12,KVEVAYIXYOPGJP-UHFFFAOYSA-N,3,1,0.473,20,604,484.904,3.522,5,0.342,0.57,1.0,0.6865276540333082,0.6269789596326503,0.23115276540333082,0.23441676375848125,0.4447690357069426
EOS-3-52189,Fc1nc(C(F)F)ccc1-c1nnc2cncc(-c3ccc(C4CCN4CC4CCCO4)nc3)n12,YHGNKKHRKNBFBZ-UHFFFAOYSA-N,3,1,0.34,78,169,481.482,4.251,6,0.381,0.51,0.984,0.2745528065245699,0.42479953395929,0.2854242341169214,0.5116852854499349,0.37411546501267906
EOS-3-52190,CN(C)C(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5nncn5C)c(F)c4)n23)cc1F,KODQTXQJUGAWSI-UHFFFAOYSA-N,3,1,0.479,36,908,491.462,2.541,5,0.356,0.7,1.0,0.482386402576931,0.3539082311013639,0.22740901925844698,0.1558237954903708,0.30488186210677815
EOS-3-52191,CCc1nc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)ccc1-c1nccc(C)n1,BZFFTMXRHRWFJD-UHFFFAOYSA-N,3,1,0.41,31,690,477.981,4.851,5,0.331,0.58,0.998,0.5406243574806388,0.5989651154821465,0.16638681378932219,0.18013672812007403,0.37152825371804543
EOS-3-52192,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nccc(C(F)(F)F)n5)n4)n23)cc1F,MMXUCRZTPVZDGN-UHFFFAOYSA-N,3,1,0.336,96,768,494.412,3.828,5,0.378,0.81,1.0,0.3580803234870811,0.45589747104379413,0.8518864368446303,0.7033787951476937,0.5923107566307998
EOS-3-52193,FC(F)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ncc(C(F)(F)F)s4)n23)nc1,CJPJUVSCJQHMKF-UHFFFAOYSA-N,3,1,0.323,50,315,475.406,5.328,5,0.327,0.62,1.0,0.18784696045507504,0.3685919402371325,0.962605373175245,0.9268727297649236,0.611479250908094
EOS-3-52194,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5nnc(C)o5)c4)n23)c1,DJDWEXNTYIEISQ-UHFFFAOYSA-N,3,1,0.484,58,241,483.319,4.176,5,0.328,0.61,0.292,0.6266962511137002,0.6134517853471317,0.2744157357275033,0.3344099102186279,0.4622434206017408
EOS-3-52195,Fc1cncc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)c1Br,IKVXMJPYUGZSSI-UHFFFAOYSA-N,3,1,0.75,23,281,493.134,4.472,4,0.411,0.77,1.0,0.8756682201357001,0.7935713796175725,0.8304691248029608,0.8500017133849633,0.8374276094852992
EOS-3-52196,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C(F)(F)F)s5)s4)n23)cc1,ALAQOCBPOOQLFY-UHFFFAOYSA-N,3,1,0.365,74,423,485.516,5.627,5,0.358,0.77,1.0,0.35332568021383043,0.33937872661229523,0.9209701185662394,0.8038688232472072,0.6043858371598931
EOS-3-52197,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cn2)n[nH]1,SWKNFCRTZCGFFL-UHFFFAOYSA-N,3,1,0.511,7,338,403.381,2.393,5,0.475,0.77,1.0,0.47995339592899733,0.5695976972106093,0.2063600849838942,0.19383524090192583,0.36243660475635664
EOS-3-52198,Fc1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)n4)n23)cc1-c1cncnc1,YYGNDTDIHJIHFU-UHFFFAOYSA-N,3,1,0.489,37,494,483.294,4.106,5,0.263,0.7,1.0,0.9293400041121239,0.9535072990199438,0.6886179836885752,0.7540007538893838,0.8313665101775067
EOS-3-52199,Cc1ccc(-c2nnc3cncc(Cn4ccnc4-c4ncnc(Cl)n4)n23)cn1,ABXQJSVHGCPSDU-UHFFFAOYSA-N,3,1,0.353,85,489,404.825,2.245,5,0.448,0.67,1.0,0.28024981152765405,0.23870879309163182,0.05003940785415667,0.07257042012199301,0.1603921081488589
EOS-3-52200,Fc1ccccc1-c1ncnnc1-c1nnc2cncc(-c3nnn(-c4ccc(C(F)F)cn4)n3)n12,LQLPWKGQXKAASU-UHFFFAOYSA-N,3,1,0.287,10,356,488.397,2.758,6,0.356,0.57,0.017,0.007607429237201015,0.1727948735521897,0.26682544033993555,0.4013689945857035,0.21214918442875744
EOS-3-52201,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)c(F)c1,QPAUQVHKUXMLIT-UHFFFAOYSA-N,3,1,0.477,13,145,469.307,5.738,5,0.336,0.68,0.997,0.47494174491124663,0.6952487834966761,0.9180487972037558,0.9299396888492907,0.7545447536152422
EOS-3-52202,Cc1nc(-c2nnc3cncc(OCc4cccc(-c5cn(C)nn5)n4)n23)cs1,GTLGDCKJTKBXBR-UHFFFAOYSA-N,3,1,0.404,31,587,405.447,2.326,5,0.438,0.69,1.0,0.09109211157562881,0.07173086148995957,0.02869919813583716,0.018718730724419163,0.05256022548146117
EOS-3-52203,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)ccc1Cl,VKFORVBIBOBLAN-UHFFFAOYSA-N,3,1,0.368,96,575,403.808,4.103,5,0.451,0.79,1.0,0.4074086765814543,0.6563292440545542,0.8707508052909327,0.8978565554108697,0.7080863203344527
EOS-3-52204,Fc1cc(-c2ccncc2)cc(-c2nnc3cncc(OCCc4cc(Cl)cnc4Cl)n23)c1,SHBSEZSBPFEYJX-UHFFFAOYSA-N,3,1,0.571,35,439,481.318,5.316,5,0.306,0.7,1.0,0.8813994928380509,0.9083167706120211,0.9056610239188541,0.9334092934000411,0.9071966451922417
EOS-3-52205,Fc1cnc(-c2cc(-c3cncc4nnc(-c5ccccc5F)n34)ncc2F)cn1,YCGDOLZXZOHPAZ-UHFFFAOYSA-N,3,1,0.471,45,575,405.343,3.728,5,0.455,0.67,1.0,0.3299122746898773,0.5233962716743198,0.8435165512987458,0.8771417312041669,0.6434917072167775
EOS-3-52206,Cc1cc(Cl)nc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1,YBPBFHCKRNMKBN-UHFFFAOYSA-N,3,1,0.478,68,127,403.78,3.455,4,0.471,0.74,1.0,0.6865362209581248,0.817515934480159,0.6262507710232335,0.5677558083750257,0.6745146837091357
EOS-3-52207,COc1cc(F)ccc1-c1nnc2cncc(OCc3cc(-c4cnc(C#N)cn4)ccc3Cl)n12,BXQMFBOEFDJLJC-UHFFFAOYSA-N,3,1,0.462,97,521,487.882,4.5,5,0.344,0.68,1.0,0.9086937153039545,0.9123603591254883,0.895526351860736,0.8632975807004317,0.8949695017476527
EOS-3-52208,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccc(Cl)nc6)cs5)n34)nc2)n1,WLTGPOJQLVFWJJ-UHFFFAOYSA-N,3,1,0.275,70,392,483.948,4.791,6,0.329,0.67,0.991,0.10571585223768076,0.2744157357275033,0.31077376464944145,0.3634774861215818,0.2635957096840518
EOS-3-52209,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5nnc(C)o5)n4)n23)cc1F,OTBSNZWJQVEZOH-UHFFFAOYSA-N,3,1,0.495,37,788,492.446,2.804,5,0.364,0.67,0.999,0.5173308889041189,0.29007607429237203,0.20636865190871084,0.16128949352340483,0.29376627715715165
EOS-3-52210,COc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)c2)s1,YXXQGDDOIYAKRR-UHFFFAOYSA-N,3,1,0.292,30,220,468.567,5.714,6,0.322,0.69,1.0,0.2912240422178055,0.20351586594476048,0.3107823315742581,0.34717462819546296,0.2881742169830718
EOS-3-52211,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)c2)cc1F,UKGZKJHZMITWAQ-UHFFFAOYSA-N,3,1,0.461,59,884,482.853,5.206,5,0.32,0.71,1.0,0.8715560962236996,0.8731581111644164,0.9670516071550956,0.9628452470701118,0.9186527654033309
EOS-3-52212,OCc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ccn2)ccc1F,XQFYLKZFROUGJY-UHFFFAOYSA-N,3,1,0.5,59,13,481.409,4.481,5,0.284,0.71,1.0,0.94991775752176,0.8866767185251182,0.9861301487218148,0.9800047974778974,0.9506823555616475
EOS-3-52213,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5sccc5Cl)nc(C)n4)n23)cc1,FAGNZDMBOPTQKK-UHFFFAOYSA-N,3,1,0.465,89,731,491.964,4.21,5,0.379,0.75,1.0,0.6155164142279488,0.5323572750325544,0.29631279555890616,0.22539579192653006,0.41739556918648485
EOS-3-52214,CC#Cc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc(CC)n1,VZQITRZJEXZFTA-UHFFFAOYSA-N,3,1,0.556,90,636,404.861,3.748,4,0.471,0.7,0.956,0.7560139812213008,0.9236515660338565,0.3742461106161332,0.37638784182030016,0.6075748749228975
EOS-3-52215,O=C(c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc1)N1CCOCC1,FJWGYDBRUNQRES-UHFFFAOYSA-N,3,1,0.534,89,229,494.515,2.695,6,0.351,0.83,1.0,0.16551298745802207,0.002878486738400384,0.018735864574052498,0.03472174628195463,0.05546227126310739
EOS-3-52216,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ncn2)cn1,GQHGYGDJPIWNPG-UHFFFAOYSA-N,3,1,0.43,44,488,453.359,3.779,5,0.227,0.6,0.881,0.804314303337674,0.7638784182030018,0.937795558906175,0.9246795970118566,0.8576669693646769
EOS-3-52217,Cc1n[nH]c(-c2cc(COc3cncc4nnc(-c5cnc(F)cn5)n34)cnn2)n1,SGAVURYKQBYCAW-UHFFFAOYSA-N,3,1,0.367,92,828,405.357,1.183,5,0.452,0.65,0.843,0.5097577273661846,0.43399184428757454,0.05936022205469125,0.05770680556507436,0.2652041498183812
EOS-3-52218,C#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cn1,NFXSKIQWUNOKQC-UHFFFAOYSA-N,3,1,0.549,15,889,407.437,3.179,5,0.435,0.61,1.0,0.8670327599204989,0.7146528682064286,0.5675245014049757,0.48278904804331435,0.6579997943938045
EOS-3-52219,FC(F)Oc1ccccc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,PJYDDXSTCTZCQN-UHFFFAOYSA-N,3,1,0.372,96,121,406.356,3.24,5,0.477,0.61,0.891,0.4008978137207868,0.4203790007538894,0.6994894112809266,0.6719210472208896,0.5481718182441231
EOS-3-52220,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1,VPGKPDAXRDMKBA-UHFFFAOYSA-N,3,1,0.403,21,810,443.485,6.326,6,0.32,0.79,1.0,0.37870947844561714,0.5511102734562402,0.9123860598999384,0.9370074018230417,0.6948033034062093
EOS-3-52221,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3cc(Cl)cc(F)c3-c3cccnc3)n12,LSDWOKWSFJPLHD-UHFFFAOYSA-N,3,1,0.361,3,192,482.91,5.108,6,0.347,0.62,1.0,0.12993454869440066,0.33938729353711194,0.5440596943321225,0.6838547734905078,0.42430907751353575
EOS-3-52222,Cn1nncc1-c1cncc(-c2nnc3cncc(Oc4ccccc4Cl)n23)c1,HKPFDGPYZCZQIP-UHFFFAOYSA-N,3,1,0.443,13,995,404.821,3.428,5,0.452,0.7,1.0,0.32197930230964295,0.42480810088410664,0.47513878418203004,0.5383369885545884,0.44006579398259205
EOS-3-52223,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nc5Cl)ncc4F)n23)cn1,BBHUTFREPBRXMH-UHFFFAOYSA-N,3,1,0.478,59,109,482.306,4.977,5,0.327,0.64,1.0,0.902388458638887,0.9142879172092385,0.8467548488794462,0.8517493660475636,0.8787951476937839
EOS-3-52224,Cc1ccncc1-c1nnc2cncc(-c3ocnc3-c3ccc(Cl)c(F)c3)n12,GSWXXLXBVAIQGT-UHFFFAOYSA-N,3,1,0.356,96,575,406.808,4.609,5,0.435,0.71,1.0,0.35808889041189773,0.5141611267219519,0.7827513535741211,0.8327993283530943,0.6219501747652663
EOS-3-52225,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NCCF)cc4)n23)c(F)cn1,WRENSMJOQIHKDA-UHFFFAOYSA-N,3,1,0.48,89,512,492.45,1.794,5,0.344,0.69,1.0,0.4185456788431225,0.17280344047700638,0.1266448495648002,0.09870810773764649,0.2041755191556439
EOS-3-52226,Cn1nnnc1-c1cc(F)c(COc2cncc3nnc(-c4ccc(C(=O)NCCF)cc4)n23)cn1,YCSMOWLFVDXEFJ-UHFFFAOYSA-N,3,1,0.485,89,512,492.45,1.794,5,0.344,0.69,1.0,0.4117778082379549,0.16852854499348913,0.1266534164896169,0.09871667466246316,0.20141911109588104
EOS-3-52227,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6ccnc(Cl)c6)s5)n34)cc2)n1C,WOFYFDPREJEAIE-UHFFFAOYSA-N,3,1,0.321,38,63,485.964,4.734,6,0.332,0.68,1.0,0.13275306695908437,0.21818244123089575,0.27028647796586935,0.31862106778150917,0.23496076348433964
EOS-3-52228,Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc6c(n5)OCO6)c(F)n4)n23)c(C)n1,VSHZWGCGIWNKRN-UHFFFAOYSA-N,3,1,0.395,49,501,485.479,3.749,6,0.332,0.58,0.649,0.8756767870605168,0.6368223562470016,0.3036546501267905,0.20533205400589405,0.5053714618600507
EOS-3-52229,Fc1c(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ncco5)c4)n23)ccnc1Cl,KHBVDCIOOFFXPJ-UHFFFAOYSA-N,3,1,0.547,88,595,471.279,4.909,5,0.325,0.54,1.0,0.9438695086011926,0.9447947364813927,0.846763415804263,0.8743232129394832,0.9024377184565828
EOS-3-52230,C#Cc1cccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccc(C)nn5)c4)n23)c1,WNKWBLWTJTYCJV-UHFFFAOYSA-N,3,1,0.314,62,574,406.424,4.344,5,0.417,0.72,1.0,0.2615653485025015,0.3780412583099171,0.8518950037694469,0.8464550065108628,0.584489154273182
EOS-3-52231,c1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(Oc6ccccn6)cc5)n34)c2)cc1,BSMDHCIQQGLOII-UHFFFAOYSA-N,3,1,0.494,17,410,472.508,5.62,6,0.298,0.74,1.0,0.49223836611609895,0.3921167157837023,0.7733877047495031,0.7146357343567953,0.5930946302515249
EOS-3-52232,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C(F)F)nn5)nn4C)n23)cc1,INYUEKQEEHKELD-UHFFFAOYSA-N,3,1,0.453,89,926,491.462,2.858,5,0.369,0.66,1.0,0.4625368377767117,0.3732609142622164,0.3854687821259681,0.22263724213556302,0.3609759440751148
EOS-3-52233,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4Cl)n23)n1,MUWRCQQCVIWABE-UHFFFAOYSA-N,3,1,0.517,58,28,470.345,4.633,5,0.334,0.53,1.0,0.723125556850113,0.8252947022136934,0.34387636214104583,0.46147453909944486,0.5884427900760744
EOS-3-52234,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6c[nH]nn6)nc5)n34)cn2)cc1,PFRABPXTYBDKPQ-UHFFFAOYSA-N,3,1,0.265,10,195,406.413,2.824,6,0.478,0.63,0.888,0.006091083544650812,0.02920464670002056,0.28194606264135424,0.3155969433212254,0.15820968405181274
EOS-3-52235,Cn1nccc1-c1ncncc1COc1cncc2nnc(-c3cc(-c4ccc(F)nc4)ncn3)n12,QAMNMEGLCDAJPF-UHFFFAOYSA-N,3,1,0.363,6,395,481.455,2.552,6,0.327,0.48,0.992,0.45580323487081076,0.33440134329381127,0.24187855527379892,0.21436159276266192,0.31161118155027073
EOS-3-52236,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccoc6)cn5)n34)cc2)cc1,ABBBOCRQUAGYNA-UHFFFAOYSA-N,3,1,0.314,69,987,415.456,5.78,6,0.365,0.77,1.0,0.09110067850044548,0.07529470221369337,0.8211654444520595,0.8533685148379138,0.460232335001028
EOS-3-52237,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cc1Cl,KDWFAAHNKOPPON-UHFFFAOYSA-N,3,1,0.561,57,80,466.303,5.878,5,0.303,0.72,1.0,0.932766774038791,0.9366133232814748,0.971917620450963,0.9809985607566308,0.955574069631965
EOS-3-52238,COC(F)(c1ccc(Cl)cn1)c1ncc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,HFZUCCOTMATFPU-UHFFFAOYSA-N,3,1,0.38,22,844,483.294,4.162,5,0.367,0.5,0.995,0.3987389486669865,0.7190477006373792,0.784970187101638,0.8015985881707902,0.6760888561441984
EOS-3-52239,Cc1ccc(-c2nnc3cncc(-c4ccc(F)cc4OCc4ccc(C(F)F)cn4)n23)cc1,MFJWIPOKGPKLAH-UHFFFAOYSA-N,3,1,0.361,62,3,461.447,5.817,5,0.319,0.68,0.948,0.735042149270098,0.842865465012679,0.97547289424988,0.9579278322253444,0.8778270851895004
EOS-3-52240,CCOc1cc(F)ccc1-c1nnc2cncc(-c3csc(-c4cnco4)n3)n12,RGWNHYPYNVYLLM-UHFFFAOYSA-N,3,1,0.405,96,985,408.418,4.108,5,0.432,0.7,1.0,0.48239496950174765,0.579561030772394,0.3891354259475019,0.3732437804125831,0.45608380165855666
EOS-3-52241,Cc1nnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)ccc2F)s1,HLQBKUHIOWLXIW-UHFFFAOYSA-N,3,1,0.494,13,145,473.32,5.856,5,0.326,0.78,1.0,0.7231341237749298,0.8647453909944486,0.8139263929819752,0.8827187992598177,0.8211311767527928
EOS-3-52242,Fc1cc(-c2nc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)ccc2F)ccn1,KSTHOVBDURAJBE-UHFFFAOYSA-N,3,1,0.324,14,358,468.389,5.194,5,0.262,0.66,0.999,0.4946199712151326,0.7282228771160304,0.9789253649509972,0.9783428140634638,0.795027756836406
EOS-3-52243,Cn1cnc(COc2cncc3nnc(-c4ccc(-c5ccnn5C)cc4F)n23)n1,LURCAKXWPHHEIQ-UHFFFAOYSA-N,3,1,0.455,36,404,405.397,2.038,5,0.441,0.67,1.0,0.4579706668494277,0.47803440477006376,0.19926667123569325,0.17192961414570626,0.3268003392502227
EOS-3-52244,COc1nc(-c2ncn(C)c2C)ccc1-c1nnc2cncc(OCCc3ccc(F)c(C#N)n3)n12,DWFNNRDSVRTIDC-UHFFFAOYSA-N,3,1,0.446,31,456,485.483,2.931,5,0.342,0.54,0.958,0.6351175382084847,0.5696062641354259,0.19238743060790897,0.11402576930984853,0.37778425056541703
EOS-3-52245,Cn1cc(-c2ccnc(Oc3cncc4nnc(-c5ccc(-c6ccnn6C(F)F)cc5)n34)n2)cn1,WJNKKUBFXNRNAX-UHFFFAOYSA-N,3,1,0.404,56,622,486.446,4.033,6,0.347,0.6,1.0,0.44386094167637585,0.42038756767870605,0.5573641285724077,0.4205503392502227,0.4605407442944281
EOS-3-52246,Fc1ccc(-c2cccc(-c3nnc4cncc(COCCc5cc(F)cc(Cl)c5)n34)c2)nc1,RUGGIJSXADCYKS-UHFFFAOYSA-N,3,1,0.42,57,358,477.902,5.544,5,0.288,0.77,1.0,0.44867555342334314,0.5370690836817216,0.9320814200534576,0.9468336645877595,0.7161649304365705
EOS-3-52247,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5nccs5)n34)c2)c(F)n1,MWUWBHJGBVDGAF-UHFFFAOYSA-N,3,1,0.671,4,506,407.434,3.366,5,0.444,0.61,1.0,0.37419470906723323,0.4559060379686108,0.3781697621821671,0.3407922692070454,0.38726569460626414
EOS-3-52248,O=C(NCc1ccnc(F)c1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1,LVVHVNHYZIDQDU-UHFFFAOYSA-N,3,1,0.351,10,620,492.478,2.898,6,0.352,0.7,1.0,0.07956959769721061,0.13070557192790075,0.4074086765814543,0.3312230141868275,0.2372267150983483
EOS-3-52249,Cn1cc(-c2ccc(-c3nnc4cncc(Cc5cncc(Cl)c5)n34)cn2)cn1,ZCZVCJLPVSFJFO-UHFFFAOYSA-N,3,1,0.351,85,468,402.849,3.226,5,0.458,0.81,1.0,0.1404375985196354,0.21321362483722842,0.4858474402028648,0.5151977246247686,0.3386740970461243
EOS-3-52250,CCn1c(COc2ccc(Cl)cn2)ccc1COc1cncc2nnc(-c3ccc(C)cc3)n12,GOZGUCZFLWSXDW-UHFFFAOYSA-N,3,1,0.506,89,92,474.952,5.128,5,0.31,0.67,1.0,0.5586577342197245,0.5696148310602426,0.6351089712836681,0.5284507573161538,0.5729580734699472
EOS-3-52251,Cc1ccc(-c2nnc3cncc(CCc4nc(-c5cnc(Cl)cn5)c(F)cc4Cl)n23)cc1,QHMSGNPQIBRGEW-UHFFFAOYSA-N,3,1,0.39,14,886,480.334,5.183,5,0.345,0.6,1.0,0.5199266671235693,0.6613580289219382,0.6207165375916661,0.7436176410115825,0.6364047186621891
EOS-3-52252,COCc1cncc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,FKKKLNFDQDEXKH-UHFFFAOYSA-N,3,1,0.337,0,437,400.442,2.892,5,0.535,0.87,1.0,0.1680830649030224,0.016551298745802207,0.24529675827564937,0.24601637996024947,0.16898687547118088
EOS-3-52253,Fc1cccc(F)c1-c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccn1,YLQZBXGHLIMBKQ-UHFFFAOYSA-N,3,1,0.565,88,265,482.853,4.941,5,0.341,0.61,1.0,0.955332054005894,0.9394918100198753,0.9420104859159756,0.9527705434857103,0.9474012233568638
EOS-3-52254,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cnc5Cl)n34)ccn2)cc1,LGDXXOADBHJQNX-UHFFFAOYSA-N,3,1,0.565,11,201,477.355,5.485,5,0.301,0.7,1.0,0.9507658830786101,0.9163868137893222,0.8121273387704749,0.8408436707559455,0.8800309265985882
EOS-3-52255,FCc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ncn2)cc1F,JRBVISKFIMKZAS-UHFFFAOYSA-N,3,1,0.363,46,564,484.829,4.018,5,0.356,0.53,0.694,0.7379206360084984,0.6563378109793708,0.7975464327325064,0.8059762867521074,0.7494452916181207
EOS-3-52256,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5F)nn4)n23)c1,AZCNUYNVODFLMI-UHFFFAOYSA-N,3,1,0.297,39,144,487.861,4.428,6,0.362,0.62,0.948,0.03143204715235419,0.18137036529367417,0.6559608662874374,0.8038773901720239,0.4181601672263724
EOS-3-52257,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cncs4)n23)nn1C,VAWFFUJYVHNXKY-UHFFFAOYSA-N,3,1,0.429,31,569,407.463,2.444,5,0.426,0.63,1.0,0.06942635871427592,0.019729627852785963,0.03620382427523816,0.022428209170036323,0.036947005003084094
EOS-3-52258,FC(F)c1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccn2)ncn1,NITBESKMIMGOBY-UHFFFAOYSA-N,3,1,0.5,75,819,485.907,4.917,5,0.323,0.73,0.999,0.8906432047152354,0.8589455828935645,0.7433177986429991,0.7061459118634775,0.799763124528819
EOS-3-52259,Cn1cnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cscn6)c(F)c5)n34)n(C)n2)n1,BNVFCQRTMVDFSC-UHFFFAOYSA-N,3,1,0.473,71,415,488.512,3.162,6,0.351,0.59,0.843,0.3945411555068193,0.5234048385991364,0.16011582482352135,0.1506836406003701,0.30718636488246176
EOS-3-52260,Cn1nc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)nc1C1CC1,KISVQEAXFCWXTN-UHFFFAOYSA-N,3,1,0.458,87,349,478.969,4.196,6,0.346,0.53,0.971,0.49987149612775,0.5141696936467686,0.02052635186073607,0.08339901309026113,0.27949163868137894
EOS-3-52262,Cc1nc(-c2ccc(F)cc2-c2nnc3cncc(-c4cccc(-c5cnn(C)c5)c4)n23)cnc1F,PRGDJGMEEWOVNU-UHFFFAOYSA-N,3,1,0.337,42,192,480.482,4.902,6,0.357,0.54,1.0,0.1734373929134398,0.30022788020012336,0.7570077445000343,0.7412189020629155,0.49297297991912825
EOS-3-52263,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4nccs4)cc3Cl)n12,DGVFNVFKIALERI-UHFFFAOYSA-N,3,1,0.466,59,666,473.32,5.335,5,0.321,0.68,1.0,0.8400640805976287,0.8647539579192653,0.8748886299773834,0.9026883010074703,0.870598742375437
EOS-3-52264,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)c4)n23)c(Cl)cn1,PKXLDTALWNNECT-UHFFFAOYSA-N,3,1,0.506,73,325,484.734,5.183,5,0.317,0.74,1.0,0.9023970255637036,0.8968884929065862,0.8608046055787815,0.9051298745802207,0.891304999657323
EOS-3-52265,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cn(C)nc5C)n34)cc2F)n(C)n1,NNJDKSOZYQSFEI-UHFFFAOYSA-N,3,1,0.368,50,974,403.425,2.743,5,0.46,0.75,0.993,0.16809163182783907,0.2387173600164485,0.13253889383866768,0.12099067918579946,0.16508464121718866
EOS-3-52266,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4Cl)n23)cc1,SPPPYROJSVZUKT-UHFFFAOYSA-N,3,1,0.326,64,885,479.906,5.77,6,0.319,0.77,1.0,0.27720855321773696,0.41128092659858817,0.8078181755876911,0.8827273661846343,0.5947587553971626
EOS-3-52267,Cc1cnc(-c2cccc(COCc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)n2)cn1,CKYRGFVNUHMPSJ-UHFFFAOYSA-N,3,1,0.406,52,916,492.543,3.561,6,0.349,0.79,1.0,0.2615739154273182,0.05644746761702419,0.12401480364608321,0.1140343362346652,0.1390176307312727
EOS-3-52268,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc[nH]n5)cn4)n23)cc1,PMYQESQGXPZLCK-UHFFFAOYSA-N,3,1,0.566,4,850,403.833,3.809,5,0.479,0.73,1.0,0.7410903981906655,0.8839353025837845,0.6559694332122541,0.6867589610033582,0.7419385237475156
EOS-3-52269,Fc1c(CCOc2cncc3nnc(-c4ccncc4)n23)ccc(Cl)c1Cl,GWKVYCBEJYLJND-UHFFFAOYSA-N,3,1,0.768,90,281,404.232,4.254,4,0.466,0.75,1.0,0.8776129120690837,0.864762524844082,0.9362963470632581,0.9496521828524432,0.9070809917072168
EOS-3-52270,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(Cl)c4)n23)cc1F,LEKFBGXWAQNPER-UHFFFAOYSA-N,3,1,0.4,23,129,399.788,3.75,4,0.569,0.89,1.0,0.43938043999725857,0.5007538893838668,0.9209786854910561,0.9246881639366733,0.6964502947022136
EOS-3-52271,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6nc(C(F)F)nn6C)nn5)n34)nc2)nn1,IEHFBQJJIXUSLT-UHFFFAOYSA-N,3,1,0.245,99,286,488.426,1.567,6,0.347,0.58,0.413,0.10324857789048043,0.12399766979644987,0.018744431498869167,0.01813617983688575,0.06603171475567131
EOS-3-52272,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(C)(C)C)nc4)n23)cc1,RAYALBOVSLEIGI-UHFFFAOYSA-N,3,1,0.407,63,334,400.486,3.434,4,0.567,0.83,1.0,0.26667980261805224,0.09179459941059558,0.4140137756151052,0.11864334178603249,0.2227828798574464
EOS-3-52273,Fc1ccncc1CCOc1cncc2nnc(-c3cc(Cl)cc(-c4cc(Cl)ccn4)c3)n12,DJZXZFVRQBWOEX-UHFFFAOYSA-N,3,1,0.547,88,429,481.318,5.316,5,0.327,0.64,1.0,0.9055496538962374,0.8945925570557193,0.9096360770337879,0.9395346446439586,0.9123282331574258
EOS-3-52274,Cc1ncc(-c2cccc(-c3nnc4cncc(COCc5cccc(-c6cncnc6)n5)n34)c2)nn1,PDOSZKLQQSSGJX-UHFFFAOYSA-N,3,1,0.345,94,868,488.515,3.521,6,0.329,0.63,1.0,0.21263107394969502,0.12400623672126654,0.26299602494688507,0.22540435885134671,0.20625942361729835
EOS-3-52275,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cncs5)n34)c2)cn1,JHTZYCMUYGKWIS-UHFFFAOYSA-N,3,1,0.416,46,157,405.418,3.423,5,0.414,0.73,1.0,0.5586663011445412,0.48667843191008153,0.48585600712768146,0.4708553217736961,0.5005140154890001
EOS-3-52276,CONC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)c(F)c1F,KPHRFCWRBJGGCZ-UHFFFAOYSA-N,3,1,0.534,23,627,479.365,3.4,4,0.248,0.65,1.0,0.8121616064697417,0.5989736824069632,0.9626139401000616,0.9299482557741073,0.8259243711877184
EOS-3-52277,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ccccn5)c4)n23)cc1Cl,ZCHWIGSJZNXPTK-UHFFFAOYSA-N,3,1,0.718,88,485,480.33,5.921,5,0.302,0.84,1.0,0.9949369474333494,0.9916044136796656,0.9545010622986773,0.9685251182235625,0.9773918854088137
EOS-3-52278,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccccc5C(F)(F)F)s4)n23)cc1,WSFMAMKDFFFMNY-UHFFFAOYSA-N,3,1,0.541,1,676,467.476,5.821,5,0.326,0.73,1.0,0.8226817901446097,0.8136008498389418,0.9620313892125283,0.9173034747447056,0.8789043759851963
EOS-3-52279,COCn1nnc(-c2ccc(-c3nnc4cncc(-c5ccn(C)n5)n34)cc2F)n1,YEYXZUOQPQLLAE-UHFFFAOYSA-N,3,1,0.314,36,542,406.385,1.588,5,0.432,0.64,1.0,0.25345247070111715,0.36361455691864847,0.061484819409224865,0.07647693783839353,0.188757196216846
EOS-3-52280,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccon5)c4)n23)c(F)n1,ABYOUQXJIQDSKO-UHFFFAOYSA-N,3,1,0.448,2,422,407.34,3.094,5,0.41,0.67,1.0,0.6381330957439517,0.47339969844424645,0.6832293879788911,0.637456308683435,0.6080546227126311
EOS-3-52281,Clc1csc(Cl)c1CCOc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,XJVFLWVVCCPRAW-UHFFFAOYSA-N,3,1,0.561,75,583,475.386,5.3,5,0.332,0.68,1.0,0.7350507161949147,0.7725567130422863,0.537343225275855,0.6431533136865191,0.6720259920498939
EOS-3-52282,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cc(F)c(Cl)cn5)cn4)n23)cc1F,BHZKLQYPPKJQSD-UHFFFAOYSA-N,3,1,0.327,96,802,493.861,4.332,5,0.388,0.82,1.0,0.6410201494071688,0.622549859502433,0.8158796518401754,0.7668682749640189,0.7115794839284489
EOS-3-52283,Fc1ccc(COc2cncc3nnc(-c4ccc(OCc5ccc(Cl)cc5)cc4)n23)cc1F,QAICMRNRKBGYQO-UHFFFAOYSA-N,3,1,0.821,57,397,478.886,5.881,5,0.292,0.82,1.0,0.997267150983483,0.9928037831539991,0.984682338427798,0.9827462134192311,0.9893748714961277
EOS-3-52284,Fc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)ncn1,SVSNXYTVHLZGNJ-UHFFFAOYSA-N,3,1,0.495,40,120,482.504,4.485,6,0.32,0.63,1.0,0.5899612774998286,0.6660869714207388,0.5675330683297923,0.5184103214310192,0.5854979096703448
EOS-3-52285,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)cn1,MUBQAZMIFJXZNC-UHFFFAOYSA-N,3,1,0.397,68,127,400.324,2.022,4,0.56,0.82,0.995,0.22356247001576315,0.29525906380645606,0.6668237269549723,0.48279761496813106,0.4171107189363306
EOS-3-52286,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)c(F)c1,LNEVZCQAVMAZDN-UHFFFAOYSA-N,3,1,0.446,13,145,469.307,5.913,5,0.32,0.72,1.0,0.7410989651154821,0.832627989856761,0.9229833458981564,0.937795558906175,0.8586264649441437
EOS-3-52287,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1nc(C)c(F)[nH]1,LUMKPISAOSFHHM-UHFFFAOYSA-N,3,1,0.384,31,690,469.933,4.88,5,0.381,0.52,0.241,0.4579792337742444,0.5606024261531081,0.31466314851620864,0.3344184771434446,0.41691582139675143
EOS-3-52288,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cn1,AVTXSKHEHOKZMM-UHFFFAOYSA-N,3,1,0.554,90,636,400.851,2.622,4,0.533,0.84,1.0,0.5559163182783908,0.5141782605715852,0.1567490233705709,0.16640394763895552,0.3483118874648756
EOS-3-52289,CCCc1cc(COc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)n(CCC)n1,VHFQYEBEYVRSQT-UHFFFAOYSA-N,3,1,0.467,63,12,460.916,5.52,4,0.329,0.65,0.918,0.39874751559180316,0.5416266876841889,0.47874545952984715,0.5015934480159002,0.48017827770543486
EOS-3-52290,Cc1ccc(COc2cncc3nnc(-c4csc(-c5cn(C)nn5)c4)n23)nc1,OFSBFIQLMWDDTL-UHFFFAOYSA-N,3,1,0.461,92,185,404.459,2.931,5,0.444,0.73,1.0,0.16810019875265575,0.095058597765746,0.13545164827633474,0.09872524158727983,0.12433392159550408
EOS-3-52291,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n1,KFLAIBYFUDIAAJ-UHFFFAOYSA-N,3,1,0.465,47,19,405.809,2.599,5,0.443,0.62,1.0,0.7231426906997465,0.6660955383455555,0.23822904530189842,0.26410972517305187,0.4728942498800631
EOS-3-52292,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC5)cn4)n23)cc1,RRGLDWGJKJIDDF-UHFFFAOYSA-N,3,1,0.354,0,175,399.414,1.669,5,0.524,0.93,1.0,0.19609690905352614,0.026600301555753547,0.011591049276951546,0.011325474607634844,0.061403433623466515
EOS-3-52293,COc1nnc(-c2cccc(-c3nnc4cncc(OCc5c(Cl)cncc5Cl)n34)c2)s1,PJQHZRJCEOZAKV-UHFFFAOYSA-N,3,1,0.488,16,980,486.344,4.599,5,0.343,0.71,1.0,0.5868086491672949,0.5898156397779453,0.45804776917277773,0.5081728462751011,0.5357112260982797
EOS-3-52294,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1cnc(C(F)F)[nH]1,JCWLNHIAOGVWAP-UHFFFAOYSA-N,3,1,0.365,31,717,480.454,4.498,5,0.366,0.55,0.944,0.5305325200466041,0.5416352546090055,0.6559780001370707,0.5081814131999177,0.5590817969981495
EOS-3-52295,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5nnc(C6CCCO6)s5)nc4)n23)s1,WVFBSKZCXLNUMT-UHFFFAOYSA-N,3,1,0.406,55,283,482.526,3.731,6,0.357,0.52,0.697,0.5984082653690631,0.5696233979850592,0.013055993420601741,0.0347303132067713,0.3039544924953739
EOS-3-52296,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4nc(-c5ccccc5)cs4)n23)cc1,RVRFZPSXGPNJNT-UHFFFAOYSA-N,3,1,0.451,28,363,481.516,5.09,6,0.327,0.74,1.0,0.5586748680693578,0.5416438215338222,0.40016962511137,0.4797477897333973,0.4950590261119868
EOS-3-52297,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncc(Cl)cn5)s4)n23)cc1,KIDCLTNEGPSPLX-UHFFFAOYSA-N,3,1,0.5,89,770,492.952,3.687,5,0.365,0.76,1.0,0.5810002741415942,0.4646785689808786,0.10467925433486396,0.08515523267767802,0.30887833253375374
EOS-3-52298,Fc1cnsc1COc1cncc2nnc(-c3ccnc(-c4nnc(C(F)(F)F)s4)c3)n12,XYPVEKCOCCGCGF-UHFFFAOYSA-N,3,1,0.471,27,486,480.432,3.898,5,0.349,0.55,1.0,0.6127321636625317,0.6516345692550202,0.5204321156877527,0.4205589061750394,0.551339438695086
EOS-3-52299,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6Cl)cc5)n34)cc2)n(C)n1,BSEVDZNZNUGEDP-UHFFFAOYSA-N,3,1,0.403,93,538,477.959,5.883,6,0.317,0.78,1.0,0.15979884860530463,0.3155198409978754,0.677840792269207,0.7514906449181002,0.4761625316976218
EOS-3-52300,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2Cl)ccn1,LYQHARJWFOWTOO-UHFFFAOYSA-N,3,1,0.558,35,919,481.318,5.316,5,0.306,0.7,1.0,0.9602666027002947,0.9682081420053458,0.9229919128229731,0.9444691933383592,0.9489839627167432
EOS-3-52301,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5ncccn5)cn4)n23)cc1-c1ccccc1,YXVOJCCZFTVFAG-UHFFFAOYSA-N,3,1,0.388,41,285,477.915,5.756,6,0.312,0.77,1.0,0.767844904393119,0.8813652251387842,0.7480553080666164,0.7741415941333699,0.7928517579329724
EOS-3-52302,COCCNC(=O)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccc(Cl)nc5)n4)n23)cc1,UTDIJIBKNHZKOT-UHFFFAOYSA-N,3,1,0.319,74,333,487.911,2.735,5,0.271,0.7,1.0,0.21263964087451168,0.14526077719141936,0.18903776300459188,0.1771811390583236,0.18102983003221162
EOS-3-52303,Fc1cccc(-c2cnc(F)cc2-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)ncn4)n23)c1,QGPGJOYDJYZMEI-UHFFFAOYSA-N,3,1,0.345,32,192,482.429,4.79,6,0.334,0.6,0.98,0.319734768007676,0.4780429716948804,0.8872678363374683,0.9003752313069701,0.6463552018367487
EOS-3-52304,Cc1cc(-c2nnc3cncc(OCc4ccc(C#Cc5nnccc5Cl)nc4)n23)ccc1Cl,AMNTXJJQUWFEQH-UHFFFAOYSA-N,3,1,0.563,16,214,488.338,4.57,5,0.342,0.71,1.0,0.7293023096429305,0.8463179357137962,0.8593310945103145,0.8427026934411623,0.8194135083270508
EOS-3-52305,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(Cl)n1,CHKSOIPPOXMMBX-UHFFFAOYSA-N,3,1,0.54,58,28,482.306,4.711,5,0.324,0.59,1.0,0.9360821739428414,0.9409139195394421,0.7201614008635461,0.7928003563840724,0.8474894626824756
EOS-3-52306,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nc2)s1,OVYPBAHCNZGILP-UHFFFAOYSA-N,3,1,0.308,38,818,452.568,6.014,6,0.327,0.74,1.0,0.11043622781166472,0.1685371119183058,0.5204406826125694,0.5319374957165376,0.3328378795147694
EOS-3-52307,O=C(O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,HXDBMEBBUBKLKK-UHFFFAOYSA-N,3,1,0.347,74,437,400.398,2.444,5,0.527,0.87,1.0,0.14904735796038654,0.012370639435268315,0.12141902542663285,0.09659207730792954,0.09485727503255431
EOS-3-52308,Cc1ccc(-c2nnc3cncc(OCc4c(F)c(F)cc(F)c4Cl)n23)cc1,YSDFVIOVRWOUGK-UHFFFAOYSA-N,3,1,0.643,23,627,404.779,4.749,4,0.461,0.79,1.0,0.9871410458501816,0.9839113151942979,0.9867555342334315,0.9863957233911316,0.9860509046672608
EOS-3-52309,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5F)n34)cc2F)cc1=O,POEGZSGEWVAFFS-UHFFFAOYSA-N,3,1,0.517,59,607,482.397,3.687,5,0.281,0.59,0.999,0.8400726475224454,0.7190562675621959,0.9420190528407922,0.929956822698924,0.8577761976560894
EOS-3-52310,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cn4)n23)cn1,HDCVYKFQSWIHDQ-UHFFFAOYSA-N,3,1,0.361,63,175,400.377,1.914,5,0.516,0.88,0.994,0.25104516482763345,0.23872592694126515,0.11549071345349873,0.20223939414707698,0.20187529984236857
EOS-3-52311,C#Cc1cnc(COc2cncc3nnc(-c4nncnc4-c4ccccn4)n23)nc1,SLVNZTGFSKSLMO-UHFFFAOYSA-N,3,1,0.419,33,924,408.385,1.389,5,0.393,0.58,1.0,0.3016842574189569,0.18984305393735865,0.048188952093756426,0.05771537248989103,0.14935790898499074
EOS-3-52312,Clc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccc(Cl)nn5)c4)n23)cn1,SSVNUGSCKDDVGE-UHFFFAOYSA-N,3,1,0.554,43,992,484.734,5.183,5,0.317,0.72,1.0,0.8648310602426154,0.9181344664519224,0.8735607566307998,0.9173120416695223,0.8934595812487149
EOS-3-52313,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(C)nc(C)c4F)n23)cc(C#N)c1C,AHAGUFSQTAXNJX-UHFFFAOYSA-N,3,1,0.449,26,448,482.523,4.585,5,0.348,0.56,1.0,0.5510588719073402,0.4602152011513947,0.6668322938797889,0.49189568912343223,0.5425005140154889
EOS-3-52314,Cn1nncc1-c1cccc(-c2nnc3cncc(Oc4ncccc4Cl)n23)c1,WXBUOEBNTUKOJH-UHFFFAOYSA-N,3,1,0.422,13,706,404.821,3.428,5,0.452,0.69,1.0,0.41855424576793915,0.45591460489342744,0.38914399287231854,0.4205674730998561,0.4210450791583853
EOS-3-52315,Cc1ncc(C(F)F)c(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)n1,MDCLMZVTMMTIJM-UHFFFAOYSA-N,3,1,0.422,68,457,403.78,3.455,4,0.504,0.67,1.0,0.6155249811527654,0.728231444040847,0.6559865670618875,0.6374648756082517,0.6593019669659379
EOS-3-52316,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccccc5)nnc4Cl)n23)cc1F,IZVVPFYLZUIMFL-UHFFFAOYSA-N,3,1,0.484,43,613,489.898,3.979,5,0.384,0.63,1.0,0.8326622575560277,0.6414142279487355,0.6116184634363648,0.5867144129943116,0.66810234048386
EOS-3-52317,Fc1ccc(C2=CCCCC2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,SKSPMVPQZBMTAQ-UHFFFAOYSA-N,3,1,0.62,0,378,434.902,6.12,5,0.379,0.75,1.0,0.9876636282639983,0.980218970598314,0.6832379549037078,0.8266140086354602,0.8694336406003701
EOS-3-52318,COc1nc(-c2nnc3cnccn23)cnc1-c1ccc(-c2nnc3cncc(Cl)n23)cc1Cl,GCGXEEJKYZCKCO-UHFFFAOYSA-N,3,1,0.481,50,151,491.302,3.668,6,0.364,0.68,1.0,0.5380885477349051,0.5141868274964019,0.2630045918717017,0.407571448152971,0.43071285381399493
EOS-3-52319,Fc1cc(COc2cncc3nnc(-c4cnc(-c5ccn[nH]5)nc4)n23)cnc1F,UKCDTIYJLYGNGH-UHFFFAOYSA-N,3,1,0.461,55,242,407.344,2.224,5,0.441,0.58,1.0,0.7875402645466384,0.5606109930779247,0.4858645740524981,0.44575423206085946,0.5699425159344802
EOS-3-52320,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)c5)ncc4Cl)n23)c(F)n1,PKFKFWGZUQKIHD-UHFFFAOYSA-N,3,1,0.447,59,772,482.306,4.977,5,0.327,0.64,1.0,0.809600095949558,0.8618754711808649,0.8388218764992118,0.8517579329723802,0.8405138441505038
EOS-3-52321,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1-c1ccccc1F,RZBROWVBEHNUOT-UHFFFAOYSA-N,3,1,0.518,57,480,464.859,6.191,5,0.31,0.79,1.0,0.9472705777534096,0.9335720649715578,0.9782057432663971,0.9771348776643136,0.9590458159139196
EOS-3-52323,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)nc1F,QWJMKEUJBLHOKM-UHFFFAOYSA-N,3,1,0.446,46,223,456.363,3.117,5,0.228,0.57,0.887,0.5074189568912343,0.527902474127887,0.8403210883421287,0.822673223219793,0.6745789356452607
EOS-3-52324,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cc2F)nc1,WLWZAVBFHDMFHT-UHFFFAOYSA-N,3,1,0.529,73,665,486.269,4.807,5,0.352,0.64,1.0,0.8603676924131314,0.9436467685559592,0.8651394695360154,0.9108011788088548,0.8949887773284901
EOS-3-52325,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2Cl)s1,QCFDENISIYVKSJ-UHFFFAOYSA-N,3,1,0.581,37,626,484.372,4.942,5,0.315,0.72,1.0,0.7960129531903228,0.8839438695086012,0.4958022068398328,0.5897299705297786,0.6913722500171338
EOS-3-52326,NC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4C(O)C4CC5CCCC(C5)C4)n23)s1,CUGRLXSHZGQGRC-UHFFFAOYSA-N,3,1,0.271,78,701,475.578,3.659,6,0.45,0.45,0.008,0.08166849427729422,0.08230244671372763,0.014315331368651908,0.11644164210814886,0.07368197861695566
EOS-3-52327,Fc1ncccc1-c1nncnc1-c1cncc2nnc(-c3ccc(-c4ccnc(Cl)n4)cc3)n12,CWONRVXRCIVQPF-UHFFFAOYSA-N,3,1,0.294,38,787,482.87,3.955,6,0.271,0.66,0.935,0.2966811733260229,0.38283016928243435,0.47196045507504625,0.5548625865259407,0.42658359605236107
EOS-3-52328,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1ccc(F)cn1,KSPBMTUTOCHDBQ-UHFFFAOYSA-N,3,1,0.5,11,777,481.94,5.337,5,0.312,0.73,1.0,0.9640360496196285,0.9236601329586731,0.7804382838736207,0.7464275923514495,0.8536405147008429
EOS-3-52329,O=C(c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1)N1CCc2sccc21,ZORNUDFOOQBRSO-UHFFFAOYSA-N,3,1,0.505,89,731,488.96,4.683,6,0.357,0.73,1.0,0.44643101912137617,0.4340004112123912,0.19580563360975944,0.28178329106983757,0.33950508875334107
EOS-3-52331,Clc1cc(-c2cnsc2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,NIYAJCKKQDELPJ-UHFFFAOYSA-N,3,1,0.553,11,439,469.357,5.238,5,0.317,0.58,1.0,0.6155335480775821,0.7146614351312452,0.7251730518812967,0.8079723802343911,0.7158351038311288
EOS-3-52332,FC(F)c1ccc(-c2nnc3cncc(-c4cnn(C(F)F)c4)n23)c(-c2cc(Cl)ccn2)c1,RXRVVSLSSZVNDB-UHFFFAOYSA-N,3,1,0.278,96,315,473.821,5.703,5,0.306,0.72,0.999,0.19610547597834282,0.39678568980878626,0.9855047632101981,0.9830032211637311,0.6403497875402645
EOS-3-52333,COC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5cnc(C)nn5)nc4OC)n23)cc1F,DBNNXFXECYTMMI-UHFFFAOYSA-N,3,1,0.4,89,374,488.439,3.073,5,0.326,0.65,0.999,0.7441744911246659,0.4961705846069495,0.23471660612706463,0.1028030978000137,0.39446619491467344
EOS-3-52334,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)n(CC#N)c1C,ZWQZGNFENPOSQW-UHFFFAOYSA-N,3,1,0.5,65,981,485.939,3.86,5,0.341,0.63,0.997,0.5432287026249057,0.505337194160784,0.1992752381605099,0.23157254471934755,0.36985341991638676
EOS-3-52335,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cc(F)c(F)c4F)n23)cc1,GOKDRKHGNUXGSY-UHFFFAOYSA-N,3,1,0.542,34,607,455.375,3.722,5,0.228,0.59,1.0,0.7200842985401961,0.680676444383524,0.9328952779110411,0.9119834144335549,0.8114098588170789
EOS-3-52336,Cn1ncc(-c2cncc3nnc(-c4ccccc4F)n23)c1-c1cccnc1Cl,KXYSHDSVYSMYHL-UHFFFAOYSA-N,3,1,0.438,96,46,405.824,4.046,5,0.423,0.73,1.0,0.10049002809951339,0.3492992255499966,0.6722894249880063,0.7790761428277705,0.47528870536632173
EOS-3-52337,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Br)c5)n34)cn2)nc1,HFWFAOKRRGDLKB-UHFFFAOYSA-N,3,1,0.533,65,262,489.337,3.731,5,0.333,0.67,1.0,0.8068758138578576,0.8428740319374958,0.2781080803234871,0.23442533068329793,0.5405708142005345
EOS-3-52338,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5cccc(F)n5)ccn4)n23)c(F)c1,WWVOOJDSWLTOHH-UHFFFAOYSA-N,3,1,0.413,59,692,452.371,4.384,5,0.291,0.49,1.0,0.732206497155781,0.7054005894044274,0.9445377287368926,0.9428414776231924,0.8312465732300733
EOS-3-52339,Cc1nc(-c2ccc(F)c(-c3nnc4cncc(-c5ccc(-c6ncnn6C)cc5F)n34)c2)ns1,FHGLJFIGYIRWCQ-UHFFFAOYSA-N,3,1,0.329,98,615,487.499,4.359,6,0.364,0.64,1.0,0.1681087656774724,0.35391679802618053,0.43265540401617436,0.47388801315879653,0.357142245219656
EOS-3-52340,Fc1cnccc1-c1cncc(-c2nnc3cncc(OCCc4nc(Cl)cnc4Cl)n23)c1,AHTKXPCSSIESGO-UHFFFAOYSA-N,3,1,0.443,2,419,483.294,4.106,5,0.356,0.53,1.0,0.7987629360564732,0.8096857651977246,0.5773336303200604,0.6978873963402097,0.720917431978617
EOS-3-52341,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc1,IJMZFFBXPXAPMC-UHFFFAOYSA-N,3,1,0.287,63,108,400.402,1.239,5,0.513,0.88,0.995,0.1212733877047495,0.04178089233088891,0.01959255705571928,0.01763929819751902,0.050071533822219176
EOS-3-52342,c1coc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cn[nH]c6)cn5)n34)cc2)n1,WVBICWZMPGKLLW-UHFFFAOYSA-N,3,1,0.293,38,787,406.409,3.898,6,0.473,0.62,1.0,0.19330409156329245,0.17281200740182304,0.5339164553491879,0.5016020149407169,0.350408642313755
EOS-3-52343,CCOc1ncccc1-c1cncc2nnc(-c3ccc(-c4cccc(F)n4)cc3)n12,UBYLKVZFOXSMJO-UHFFFAOYSA-N,3,1,0.34,96,558,412.428,4.453,5,0.397,0.57,1.0,0.5671475567130423,0.6465543828387362,0.6416455349187855,0.5897385374545953,0.6112715029812898
EOS-3-52344,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5Cl)n4)n23)c(F)c1,KFDMGNCBJMPKBX-UHFFFAOYSA-N,3,1,0.284,39,144,488.849,3.823,6,0.368,0.58,0.935,0.06539133712562538,0.2589610033582345,0.3742546775409499,0.6079175519155644,0.32663114248509356
EOS-3-52345,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5c[nH]cn5)c(F)c4)n23)cn1,HXLQKGCQEVHEII-UHFFFAOYSA-N,3,1,0.548,16,214,405.368,3.434,5,0.45,0.68,1.0,0.9024055924885204,0.6269875265574669,0.8356349804674115,0.8038859570968405,0.7922285141525599
EOS-3-52346,CCc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cnc2OC)cn1,VYLMUXHSZRQZPJ-UHFFFAOYSA-N,3,1,0.614,84,657,487.951,4.489,5,0.315,0.74,1.0,0.5782759920498938,0.6269960934822836,0.407417243506271,0.3471831951202796,0.48996813103968195
EOS-3-52347,Fc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ncccn1,HFWWPCUIYNQWLF-UHFFFAOYSA-N,3,1,0.544,16,256,405.418,3.423,5,0.442,0.7,1.0,0.8121701733945583,0.7237852100609965,0.4104927695154547,0.4108954149818381,0.5893358919882119
EOS-3-52348,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccc(Oc6ccccc6)cc5)nn4)n23)cn1,NOXJTEHUFQBFSD-UHFFFAOYSA-N,3,1,0.426,17,960,488.511,4.718,6,0.315,0.76,1.0,0.45121136316907684,0.4112894935234048,0.4001781920361867,0.3666986498526489,0.4073444246453293
EOS-3-52349,N#Cc1cc(Cl)cc(-c2ccc(-c3nnc4cncc(-c5ncnnc5-c5cccnn5)n34)nc2)c1,CGNPWLRUFICGQP-UHFFFAOYSA-N,3,1,0.278,70,887,489.89,3.687,6,0.359,0.63,0.055,0.2235710369405798,0.32516619834144334,0.46857651977246245,0.6016636967993969,0.4047443629634706
EOS-3-52350,Cn1nnnc1-c1cccnc1COc1cncc2nnc(-c3ccc(F)cc3)n12,KJQYYKMNXOOMEE-UHFFFAOYSA-N,3,1,0.573,36,447,403.381,2.095,5,0.439,0.77,1.0,0.6209906791857994,0.6414227948735521,0.13874991433075184,0.20224796107189363,0.40085283736549926
EOS-3-52351,Fc1ccc(-c2nnc3cncc(C(F)Cc4cccc(Cl)c4Cl)n23)nc1,IYTPYPSKQANVRC-UHFFFAOYSA-N,3,1,0.407,23,244,406.223,4.886,4,0.485,0.69,1.0,0.33945582893564524,0.49127887053663216,0.9782143101912137,0.9890686039339319,0.6995044033993557
EOS-3-52352,Cc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)c(Cl)cn1,MMRMMPHQIXSRTB-UHFFFAOYSA-N,3,1,0.5,73,877,482.306,4.977,5,0.349,0.62,1.0,0.8043228702624906,0.9181430333767391,0.8304776917277774,0.8602134877664314,0.8532892707833597
EOS-3-52353,Fc1cncc(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5F)ccn4)n23)c1F,KUGLQPFNWOELJF-UHFFFAOYSA-N,3,1,0.421,18,265,483.841,4.336,5,0.332,0.55,1.0,0.8888527174285519,0.8394558289356453,0.8905832362415187,0.8978651223356864,0.8791892262353506
EOS-3-52354,COc1ncc(-c2nnc3cncc(-c4cc(-c5nnn(C)n5)cnc4F)n23)c(C2CCOC2)n1,KZBSKLSCOHGCPK-UHFFFAOYSA-N,3,1,0.267,50,974,475.448,1.485,6,0.341,0.45,0.839,0.2772171201425536,0.16455349187855528,0.008549790967034473,0.011334041532451511,0.11541361113014871
EOS-3-52355,Fc1nc(C(F)F)ccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,PWZOUDOHALWOGL-UHFFFAOYSA-N,3,1,0.671,90,17,405.767,4.495,4,0.457,0.71,1.0,0.9913045713110822,0.9868069357823316,0.9719261873757796,0.9660492769515455,0.9790217428551847
EOS-3-52356,CCOCc1ccc(-c2nnc3cncc(CCc4ccc(F)c(OC)c4)n23)cc1,RDEONOXQNMNNCM-UHFFFAOYSA-N,3,1,0.458,48,378,406.461,4.261,4,0.438,0.7,1.0,0.6351261051333014,0.7004146391611267,0.7930316633541225,0.6603556987183881,0.6972320265917347
EOS-3-52357,COc1cc(Cl)ccc1-c1nnc2cncc(-c3nnn(Cc4ccc(Cl)cc4Cl)n3)n12,KYPNTLBIAAUTQO-UHFFFAOYSA-N,3,1,0.337,22,221,487.738,4.462,5,0.361,0.66,0.989,0.33717702693441165,0.4820608594338976,0.5475892673565896,0.7566393667329175,0.5308666301144541
EOS-3-52358,FC(F)c1cc(Cc2cncc3nnc(-c4ccccn4)n23)cc(C(F)(F)F)c1,WSGMEIBHGQTQML-UHFFFAOYSA-N,3,1,0.44,66,225,405.33,4.734,4,0.461,0.74,1.0,0.36255225824138165,0.43400897813720785,0.9975584264272497,0.9951853882530327,0.697326262764718
EOS-3-52359,Fc1cccc(OCc2nccnc2-c2nnc3cncc(-c4cc5ncccc5c(Cl)n4)n23)c1,LXUJJBKCEHPEJK-UHFFFAOYSA-N,3,1,0.287,39,586,484.882,4.563,6,0.328,0.64,0.67,0.5097662942910013,0.5945103145774793,0.5135700089096018,0.6431618806113357,0.5652521245973545
EOS-3-52360,Cc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cc(-c2cnc(C)s2)n1,OCGFSCWFXKFOBV-UHFFFAOYSA-N,3,1,0.495,87,661,481.944,4.736,5,0.346,0.6,1.0,0.635134672058118,0.7282400109656638,0.46858508669727916,0.45516071550956066,0.5717801213076554
EOS-3-52361,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)ncc1Cl,FDXPSPCUKIJTHD-UHFFFAOYSA-N,3,1,0.459,87,173,482.306,4.711,5,0.324,0.61,1.0,0.8018041943663903,0.8060191213761908,0.7930402302789391,0.8464635734356796,0.8118317798643
EOS-3-52362,Fc1cc(-c2nnc3cncc(OCc4ccc(Oc5ccnc(Cl)c5)cn4)n23)ccc1Cl,PFTVPFCDKRJWSH-UHFFFAOYSA-N,3,1,0.545,59,71,483.29,5.399,5,0.299,0.79,1.0,0.910278596395038,0.9689106298403125,0.9290829963676239,0.9318415461585909,0.9350284421903914
EOS-3-52363,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccn5)n4)n23)cc1Cl,OFRPHMJLUZBZOK-UHFFFAOYSA-N,3,1,0.33,62,423,485.91,4.758,6,0.36,0.6,0.999,0.22357960386539646,0.3393958604619286,0.42879172092385714,0.5836817216092112,0.39386222671509835
EOS-3-52364,Cn1cncc1-c1ccc(F)c(-c2nnc3cncc(OCCc4ccon4)n23)c1,QEORTFLTICADFE-UHFFFAOYSA-N,3,1,0.581,26,563,405.393,2.94,5,0.428,0.69,1.0,0.5701545473236926,0.5007624563086834,0.42161263792748954,0.3892125282708519,0.4704355424576794
EOS-3-52365,Cc1nnc(Cc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)s1,AACVQHPNLYBIHK-UHFFFAOYSA-N,3,1,0.337,85,81,404.434,3.138,5,0.425,0.74,1.0,0.25105373175245016,0.2589695702830512,0.14757384689191969,0.2022565279967103,0.21496341923103285
EOS-3-52366,COc1cc(Cl)cc(Oc2cncc3nnc(-c4ccc(-c5cncn5CCF)cc4F)n23)c1,LHCUAPWPSXWEJQ-UHFFFAOYSA-N,3,1,0.468,13,374,482.878,5.218,5,0.316,0.72,1.0,0.6589764238229046,0.7282485778904805,0.8666643821533823,0.842711260365979,0.7741501610581866
EOS-3-52367,Fc1ccc(-c2nnc3cncc(-c4cccnc4-c4cnc(F)c(F)c4)n23)nc1,BTBLYBHNJSQTIU-UHFFFAOYSA-N,3,1,0.309,96,575,405.343,3.728,5,0.426,0.69,0.968,0.33476972106092795,0.46903056678774585,0.8230416009869097,0.8566582139675142,0.6208750257007745
EOS-3-52368,Cc1ccccc1-c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)s4)n23)cc1,RJGSWGSIQNNXNO-UHFFFAOYSA-N,3,1,0.529,12,427,477.553,5.259,6,0.323,0.69,1.0,0.6589849907477212,0.48668699883489824,0.37027962442601603,0.3698084435610993,0.4714400143924337
EOS-3-52369,COc1cc(-c2nnc3cncc(OCc4ccc(-c5ccsc5)s4)n23)ccc1Cl,UQEJENAFDKKMEL-UHFFFAOYSA-N,3,1,0.535,4,67,454.964,5.822,5,0.323,0.7,1.0,0.7960215201151395,0.8589541498183811,0.7889195394421219,0.7490233705708998,0.7982296449866356
EOS-3-52370,Fc1cccc(-c2ccncc2-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)c1,OIABJDVWCOECTD-UHFFFAOYSA-N,3,1,0.366,69,152,479.906,5.77,6,0.319,0.75,1.0,0.3044256733602906,0.41588993214995545,0.8799945171681174,0.9162925776163389,0.6291506750736755
EOS-3-52371,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ncccn6)nc5F)n34)ncn2)no1,YOXMTTSJJLQDQW-UHFFFAOYSA-N,3,1,0.41,80,34,482.439,3.115,6,0.323,0.54,1.0,0.528159481872387,0.584846823384278,0.16639538071413884,0.13843293811253513,0.3544586560208347
EOS-3-52372,FC(F)c1ccnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)n1,YVOQPORUEQAIFX-UHFFFAOYSA-N,3,1,0.324,96,856,406.421,4.914,5,0.424,0.76,1.0,0.21819100815571243,0.34930779247481325,0.8078267425125077,0.7973151257624563,0.5431601672263724
EOS-3-52373,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4nc(-c5ccccc5)ns4)n23)cc1,DNHDHPZNOSRUDF-UHFFFAOYSA-N,3,1,0.424,64,857,482.504,4.485,6,0.342,0.62,1.0,0.47759749160441367,0.509517853471318,0.20990679185799466,0.30954869440065796,0.37664270783359605
EOS-3-52374,O=C(O)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1,DRBOFOXXMZPGPE-UHFFFAOYSA-N,3,1,0.402,22,681,401.361,2.876,5,0.493,0.82,1.0,0.03965629497635529,0.052712288396957026,0.432663970940991,0.3983106024261531,0.2308357891851141
EOS-3-52375,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)s4)n23)cc1,VSPAJFGZXSLKNO-UHFFFAOYSA-N,3,1,0.337,93,270,452.568,6.014,6,0.327,0.72,1.0,0.06019121376190802,0.14526934411623604,0.5866544445205949,0.6315622644095675,0.35591931670207666
EOS-3-52376,Fc1ccc(NCc2cncc3nnc(-c4cc(-c5ccc(F)c(C(F)F)c5)ncn4)n23)cc1F,YNHQEOMVDMLPLZ-UHFFFAOYSA-N,3,1,0.317,44,471,483.404,5.215,5,0.334,0.68,0.173,0.23475944075114796,0.3344099102186279,0.9784541840860804,0.9714121718867795,0.6297589267356589
EOS-3-52377,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)nc2)n1C,FWANLMXFFJJECQ-UHFFFAOYSA-N,3,1,0.295,50,489,403.837,3.006,5,0.456,0.73,0.999,0.21529538756767871,0.2440117195531492,0.15075217599890342,0.1771897059831403,0.19681224727571792
EOS-3-52378,Fc1cncc(-n2cc(-c3cccc(-c4nnc5cncc(Oc6ccccc6Cl)n45)c3)cn2)n1,WZXRCCZWDSTSRH-UHFFFAOYSA-N,3,1,0.417,41,177,484.882,5.019,6,0.339,0.69,1.0,0.3095658282502913,0.4820694263587143,0.755003084092934,0.795156260708656,0.5854486498526489
EOS-3-52379,N#Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)nc2)c1,BUSUKVLHHATXHV-UHFFFAOYSA-N,3,1,0.463,89,637,494.49,3.398,5,0.347,0.82,1.0,0.5510674388321568,0.2952676307312727,0.4892056747309986,0.3922195188815023,0.4319400657939826
EOS-3-52380,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4cc(F)cc(Cl)c4)n23)cc1Cl,XFYSTHXUZGOHBD-UHFFFAOYSA-N,3,1,0.494,13,15,469.307,5.913,5,0.32,0.71,1.0,0.7379292029333151,0.839464395860462,0.9230004797477898,0.9404427386745254,0.8602092043040231
EOS-3-52382,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4cncnc4-c4ccccc4)n23)cc1,MKPULSSYWAXCKU-UHFFFAOYSA-N,3,1,0.368,93,107,460.928,6.236,6,0.311,0.79,1.0,0.28833698855458845,0.44716777465560964,0.8693886642450825,0.917320608594339,0.6305535090124049
EOS-3-52383,O=C(NC1(F)CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)nc4Cl)n23)c(F)c1,SZPMVQZCVYXTJO-UHFFFAOYSA-N,3,1,0.355,66,999,476.821,4.773,5,0.255,0.66,1.0,0.3855972859982181,0.49617915153176617,0.8693972311698992,0.9051384415050373,0.6640780275512302
EOS-3-52384,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6-c6ccccc6)o5)n34)cn2)cn1,YUMLPSWFUQKJGL-UHFFFAOYSA-N,3,1,0.281,76,387,487.487,3.49,7,0.358,0.58,0.992,0.024407168802686587,0.032125968062504284,0.17933143718730724,0.1991724350627099,0.10875925227880201
EOS-3-52385,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5scnc5C)n34)cn2)n1,FDUGZUNPWGQAEJ-UHFFFAOYSA-N,3,1,0.44,7,185,405.447,2.624,5,0.474,0.68,1.0,0.37871804537043385,0.3732694811870331,0.03484168322938798,0.02009800561990268,0.2017318038516894
EOS-3-52386,Clc1cccc(-c2csc(-c3cncc4nnc(-c5ccc(-c6cnco6)cc5)n34)n2)n1,SNWYYCNAKVPMEG-UHFFFAOYSA-N,3,1,0.356,32,126,457.906,5.285,6,0.332,0.55,0.999,0.2666883695428689,0.4112980604482215,0.49248680693578234,0.5772222602974436,0.43692387430607904
EOS-3-52388,Fc1c(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cn5)c4)n23)ccnc1Cl,MZIAZIKDCVTRCN-UHFFFAOYSA-N,3,1,0.57,75,698,482.306,4.711,5,0.324,0.61,1.0,0.9072202042354877,0.9142964841340553,0.8056935782331575,0.8445274484271126,0.8679344287574533
EOS-3-52389,Cc1c(-c2cncc(-c3cncc4nnc(-c5cc(F)ccc5F)n34)c2)cnn1C,GAUJLDOAPWJIFF-UHFFFAOYSA-N,3,1,0.321,22,859,403.396,3.84,5,0.458,0.8,1.0,0.11889178260571585,0.23873449386608184,0.7757436090740868,0.7693869508601192,0.4756892091015009
EOS-3-52390,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc(Cl)c2F)ncn1,LMONHVLTCSODGG-UHFFFAOYSA-N,3,1,0.43,73,196,483.294,4.372,5,0.363,0.52,1.0,0.837656774724145,0.8060276883010075,0.7020252210266603,0.7277088616270304,0.7683546364197108
EOS-3-52391,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)nc2F)n(C)n1,ITQQRQSSYDLGDZ-UHFFFAOYSA-N,3,1,0.394,46,223,486.298,3.71,5,0.346,0.58,0.999,0.49988006305256666,0.5606195600027414,0.34786854910561305,0.43627921321362484,0.4611618463436365
EOS-3-52392,c1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6nc(C7CC7)ns6)nc5)n34)s2)cn1,GBLSTDLXWOLSFY-UHFFFAOYSA-N,3,1,0.273,94,165,481.57,4.768,7,0.347,0.64,1.0,0.07722226029744363,0.15687752724282092,0.022462476869302996,0.07447227743129327,0.0827586354602152
EOS-3-52393,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccnc5Cl)n34)cn2)cn1,XUFPLHNITAPJQZ-UHFFFAOYSA-N,3,1,0.344,96,478,403.808,4.103,5,0.422,0.82,0.998,0.3466520457816462,0.48207799328353096,0.786932012884655,0.8367144129943116,0.6130941162360359
EOS-3-52394,Cc1ncc(-c2nnc3cncc(-c4nc(-c5ccc(Cl)nc5)nn4C)n23)cn1,LLLOZHYLDSFNAU-UHFFFAOYSA-N,3,1,0.333,50,489,404.825,2.401,5,0.421,0.69,0.968,0.09335377972722911,0.24897196902199986,0.05380028784867384,0.08695428688917826,0.12077008087177027
EOS-3-52395,Fc1cc(-c2cccnc2F)cc(-c2nnc3cncc(OCCc4cc(Cl)ncc4F)n23)c1,MTAJIEAKWPROAO-UHFFFAOYSA-N,3,1,0.545,88,919,482.853,4.941,5,0.319,0.63,1.0,0.9348742375436914,0.9592985401960112,0.9474333493249263,0.952779110410527,0.9485963093687889
EOS-3-52396,Fc1c(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ccccn5)c4)n23)ccnc1Cl,PJAFLSHHVVYDSO-UHFFFAOYSA-N,3,1,0.533,58,698,482.306,4.711,5,0.324,0.6,0.988,0.9007093413748201,0.8946011239805359,0.7641268590226852,0.8102683160852581,0.8424264101158249
EOS-3-52397,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cccs6)cn5)n34)s2)n1,GRBOEKKYTKDKJP-UHFFFAOYSA-N,3,1,0.292,76,368,452.568,6.014,6,0.327,0.71,1.0,0.06539990405044205,0.12752724282091701,0.43635631553697485,0.4488725926941265,0.26953901377561507
EOS-3-52398,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5nccc(-c6cnccn6)n5)n34)c2)cc1=O,QEQCBWIOGOWJND-UHFFFAOYSA-N,3,1,0.373,80,147,490.487,2.378,6,0.342,0.64,1.0,0.36482249331779865,0.15688609416763757,0.16640394763895552,0.13406380645603455,0.20554408539510657
EOS-3-52399,Fc1cc(CCOc2cncc3nnc(-c4cc(F)c(-c5cccnc5)cc4F)n23)ccc1Cl,SEISTSZQWYMSID-UHFFFAOYSA-N,3,1,0.688,88,222,481.865,5.546,5,0.318,0.73,1.0,0.9829175519155644,0.984656637653348,0.9784627510108971,0.982463504900281,0.9821251113700227
EOS-3-52400,COCc1cc(C#N)nc(-c2cccc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)c2)n1,UDQQGOKTSMLOIV-UHFFFAOYSA-N,3,1,0.457,13,145,487.882,4.851,5,0.334,0.72,1.0,0.7903073812624221,0.8291326845315605,0.819246453293126,0.8016071550956069,0.8100734185456788
EOS-3-52401,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)cn5)n34)nc2)cn1,IOGVTEZLXBPGEV-UHFFFAOYSA-N,3,1,0.402,92,94,403.381,2.095,5,0.439,0.73,1.0,0.34888801315879653,0.33940442738674526,0.29992803783154,0.23750085669248167,0.3064303337673908
EOS-3-52402,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccns4)n23)c(F)c1,NBZUDJIOVJRGAD-UHFFFAOYSA-N,3,1,0.506,16,256,407.434,3.366,5,0.444,0.62,1.0,0.5484716606127065,0.5464155986567062,0.4649184428757453,0.429982523473374,0.497447056404633
EOS-3-52403,Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2F)n1,DSRONHFGOMMAKI-UHFFFAOYSA-N,3,1,0.427,58,954,466.929,5.032,5,0.326,0.54,0.993,0.8279247481324103,0.8060362552258241,0.5509303680350901,0.5741638681378932,0.6897638098828044
EOS-3-52404,Fc1cc(-c2cnccn2)c(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cc1F,SHIBLKOSQZHWPM-UHFFFAOYSA-N,3,1,0.311,10,664,487.861,4.428,6,0.339,0.63,1.0,0.040984168322938795,0.23330306353231445,0.7911298060448222,0.8367229799191283,0.4755350044548009
EOS-3-52405,c1ccc(Oc2cccc(COc3cncc4nnc(-c5cncnc5-c5ccccc5)n34)c2)cc1,ZWSABJAGLDJCQY-UHFFFAOYSA-N,3,1,0.5,17,410,472.508,5.62,6,0.298,0.72,1.0,0.5281680487972038,0.36860050716194914,0.6915307381262422,0.6778664930436571,0.5665414467822631
EOS-3-52406,Fc1ccnc(CCOc2cncc3nnc(-c4cc(-c5cc(F)cnc5F)c(Cl)nn4)n23)c1,HPIWXQPUEDEQSA-UHFFFAOYSA-N,3,1,0.42,54,814,484.829,3.731,5,0.336,0.54,0.439,0.8580546227126311,0.8496162017682133,0.7172572133506956,0.7813378109793708,0.8015664622027278
EOS-3-52407,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5cc(Cl)c(Cl)nn5)cn4)n23)cc1,QPFGRQJKPYMLLI-UHFFFAOYSA-N,3,1,0.556,34,946,485.722,4.578,5,0.356,0.56,1.0,0.8869337262696183,0.9448033034062093,0.6641337125625385,0.7951648276334727,0.8227588924679596
EOS-3-52408,Cc1cc(-c2ccc(COc3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)nn2)no1,AZYXLNDGLNSBQC-UHFFFAOYSA-N,3,1,0.489,81,609,482.529,4.556,6,0.337,0.62,0.999,0.4185628126927558,0.4018316085258036,0.2099153587828113,0.15583236241518744,0.29653553560413953
EOS-3-52409,Fc1cc(-c2cc(-c3cncc4nnc(-c5ncc(Cl)cc5-c5cccnc5)n34)ncn2)ccn1,MVOVKNQWTPTUJW-UHFFFAOYSA-N,3,1,0.253,94,566,481.882,4.56,6,0.337,0.55,0.64,0.2939397573846892,0.4513912685902269,0.6530652456994037,0.72516448495648,0.5308901891577
EOS-3-52410,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c(F)c2)s1,QUYCGXIWPBGXDZ-UHFFFAOYSA-N,3,1,0.57,37,265,485.907,4.566,5,0.348,0.62,1.0,0.8626978959632651,0.8731666780892331,0.6474539099444864,0.6894061407717086,0.7681811561921733
EOS-3-52411,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc(Cl)n2)nc1,ZDFZZTQWDSUWGT-UHFFFAOYSA-N,3,1,0.54,58,578,482.306,4.711,5,0.324,0.57,1.0,0.9456685628126927,0.92549345486944,0.7889281063669386,0.8388818449729285,0.8747429922554999
EOS-3-52412,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(C(F)(F)F)ccn4)n23)nc1F,YPPJEJKDYLJWAF-UHFFFAOYSA-N,3,1,0.444,31,814,484.417,3.761,5,0.268,0.66,1.0,0.707782194503461,0.6905112740730588,0.8773216366253169,0.7668768418888355,0.760622986772668
EOS-3-52413,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncnc5F)n34)cnn2)cn1,ZUKCZISRYSFOJV-UHFFFAOYSA-N,3,1,0.419,55,875,419.355,2.29,5,0.312,0.46,1.0,0.6895603454184086,0.6037111918305805,0.5339250222740045,0.5081899801247344,0.583846634911932
EOS-3-52414,Fc1ccccc1-c1cncc(-c2nnc3cncc(OCc4cc(Br)cs4)n23)c1,JGCWFNGNKJNBDT-UHFFFAOYSA-N,3,1,0.518,59,137,482.338,5.395,5,0.336,0.73,1.0,0.7350592831197313,0.7975721335069563,0.8388304434240285,0.8566667808923308,0.8070321602357617
EOS-3-52415,Cn1nc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cn5)n34)c2)n1C,PRWVSLWUTGLZLL-UHFFFAOYSA-N,3,1,0.411,92,62,405.397,2.038,5,0.441,0.7,1.0,0.5281766157220205,0.442541635254609,0.12142759235144952,0.11865190871084916,0.30269943800973204
EOS-3-52416,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C(F)(F)F)nn5)cc4F)n23)cc1,NMAFZOGVMUQMHZ-UHFFFAOYSA-N,3,1,0.371,62,3,493.424,4.433,5,0.372,0.82,1.0,0.3323624151874443,0.46022376807621135,0.9530446850798437,0.879874580220684,0.6563763621410459
EOS-3-52417,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncsn5)cc4)n23)n(C)n1,BFLZTAVBMXPKFU-UHFFFAOYSA-N,3,1,0.494,36,320,404.459,2.931,5,0.444,0.7,1.0,0.3648310602426153,0.27442430265231993,0.112492289767665,0.07832739359879377,0.20751876156534851
EOS-3-52418,CCn1cc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccc5F)nn4)n23)cn1,HYHPCLKLUMQIKM-UHFFFAOYSA-N,3,1,0.342,22,844,404.384,3.41,5,0.456,0.68,0.999,0.12416900829278323,0.19431498869165925,0.5339335891988212,0.6016722637242136,0.3635224624768693
EOS-3-52419,Cc1nc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1nnc(Cl)c(C)n1,MDRVOCJIBJFNHD-UHFFFAOYSA-N,3,1,0.5,13,573,483.294,4.893,5,0.356,0.59,1.0,0.7530926598588171,0.7237937769858132,0.47875402645466386,0.5897471043794119,0.6363468919196765
EOS-3-52420,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c(Cl)n1,LLCKOMRRGASKFO-UHFFFAOYSA-N,3,1,0.468,65,262,481.347,4.393,5,0.318,0.57,1.0,0.6558323624151875,0.5464241655815228,0.34009834829689534,0.42057604002467275,0.4907327290795696
EOS-3-52421,Fc1c(CCOc2cncc3nnc(-c4cncc(-c5cncc(Cl)c5)c4)n23)ccnc1Cl,KYQIRJUYHMPUIR-UHFFFAOYSA-N,3,1,0.506,2,419,482.306,4.711,5,0.324,0.63,1.0,0.8538311287780138,0.8839524364334178,0.8608131725035981,0.892305188129669,0.8727254814611748
EOS-3-52422,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)cnc5Cl)n34)c2)cn1,GEZLFCXQUJWAQY-UHFFFAOYSA-N,3,1,0.545,11,111,481.318,5.316,5,0.306,0.69,1.0,0.92539065177164,0.9366218902062915,0.897976492358303,0.92469673086149,0.9211714412994311
EOS-3-52423,N#Cc1ccc(-c2nnc3cncc(OCc4ncccc4-c4ccccc4)n23)cc1,VUVKBBYRTKMPNW-UHFFFAOYSA-N,3,1,0.577,12,347,404.433,4.304,5,0.434,0.81,1.0,0.7587896648619011,0.7330717565622644,0.7869405798094716,0.7813463779041875,0.7650370947844561
EOS-3-52424,Cc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cc4Br)n23)ccc1Cl,UUZKEVMOEMLHBV-UHFFFAOYSA-N,3,1,0.644,23,627,482.14,5.887,4,0.341,0.79,1.0,0.9664090877938455,0.9816325131930642,0.9868583373312316,0.9915872798300323,0.9816218045370433
EOS-3-52425,Fc1cc(-c2nnc3cncc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)ccc1-c1cncnc1,JMOLGXQYSQBFCH-UHFFFAOYSA-N,3,1,0.329,42,171,480.894,5.165,6,0.321,0.61,1.0,0.38105681584538414,0.532365841957371,0.8826159961620177,0.897873689260503,0.673478085806319
EOS-3-52426,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCc4cnc(F)s4)n23)c1,HUNFYVYNJCPXDG-UHFFFAOYSA-N,3,1,0.512,16,55,407.434,3.366,5,0.444,0.6,1.0,0.5613306147625249,0.4866955657597149,0.340106915221712,0.2937512850387225,0.42047109519566855
EOS-3-52427,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCCCc5ccc(Cl)s5)n34)c2)c1,KYKYEWXUOIUMPQ-UHFFFAOYSA-N,3,1,0.412,87,838,463.954,4.678,5,0.323,0.48,1.0,0.6895689123432253,0.7330803234870811,0.3146717154410253,0.369817010485916,0.5267844904393119
EOS-3-52428,FC(F)(F)c1cc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)cnc1Cl,DRSJRBOLCDWNNE-UHFFFAOYSA-N,3,1,0.446,75,420,484.829,4.29,5,0.34,0.59,1.0,0.8468148173531629,0.8326365567815777,0.9358080323487081,0.8743317798642999,0.8723977965869372
EOS-3-52429,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)ccc2F)cs1,XUTNQWRXXVEPCA-UHFFFAOYSA-N,3,1,0.418,53,52,488.43,4.145,5,0.34,0.7,0.37,0.5643290384483586,0.6225584264272497,0.7380405729559317,0.5928911657871291,0.6294548009046673
EOS-3-52430,CCN=c1ncc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)ccn4)n23)c[nH]1,RVFZOZUKPUOQAH-UHFFFAOYSA-N,3,1,0.458,92,728,430.436,0.599,5,0.408,0.51,0.996,0.15178020697690356,0.13794462339798505,0.012079363991501611,0.004292029333150572,0.0765240559248852
EOS-3-52431,Cc1cc(-c2nnc3cncc(CCc4ccc(-c5cc(F)ccc5F)cn4)n23)ccc1Cl,VEFQCDASOXKYKG-UHFFFAOYSA-N,3,1,0.395,57,358,461.903,5.879,5,0.328,0.68,1.0,0.519935234048386,0.7638869851278185,0.9439637447741759,0.959872524158728,0.7969146220272771
EOS-3-52432,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3F)n12,UYLJHMDVRFYNKM-UHFFFAOYSA-N,3,1,0.571,90,555,404.232,4.52,4,0.501,0.74,1.0,0.9266414227948736,0.9290487286683572,0.9371102049208416,0.9541069837571106,0.9367268350352957
EOS-3-52433,Fc1cc(-c2nnc3cncc(OCc4csc(Cl)n4)n23)ccc1-c1ccnc(Cl)c1,JUTZLMQVIRPSAT-UHFFFAOYSA-N,3,1,0.561,97,31,473.32,5.335,5,0.321,0.69,1.0,0.7587982317867178,0.8731752450140498,0.8578318826673977,0.8936673291755192,0.8458681721609211
EOS-3-52434,Fc1ccc(-c2ccnc(OC(F)F)n2)cc1COc1cncc2nnc(-c3ccccc3F)n12,SMBQYQWZFQJKGN-UHFFFAOYSA-N,3,1,0.473,57,679,482.397,4.707,5,0.311,0.64,1.0,0.8943355493112193,0.9255020217942568,0.9499348913713933,0.9299653896237406,0.9249344630251525
EOS-3-52435,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(C(F)F)n1,NQTUAMHHBZHIHS-UHFFFAOYSA-N,3,1,0.584,90,255,402.792,4.06,4,0.501,0.75,0.999,0.9146819957508053,0.9627681447467618,0.8211740113768762,0.7835052429579878,0.8705323487081078
EOS-3-52436,Fc1cccc(Oc2ccccc2-c2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1F,NXSMZBUCNDJWRL-UHFFFAOYSA-N,3,1,0.317,32,327,479.45,5.381,6,0.328,0.64,0.991,0.4602409019258447,0.5650058255088753,0.869405798094716,0.8566753478171476,0.687831968336646
EOS-3-52437,CCn1nc(-c2cc(C)c(COc3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn2)cc1C,XMDGXKJCSIJUCL-UHFFFAOYSA-N,3,1,0.5,16,483,477.931,5.058,5,0.34,0.61,1.0,0.49224693304091566,0.6709187170173394,0.5407014598039888,0.5249468850661366,0.5572034987320951
EOS-3-52438,Fc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,RMFCHIXENCRPEY-UHFFFAOYSA-N,3,1,0.59,11,595,481.318,5.316,5,0.306,0.72,1.0,0.9664176547186621,0.9830117880885477,0.8666729490781989,0.9108097457336715,0.93172803440477
EOS-3-52439,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ccc5Cl)n34)c2)cs1,CRCQGNKYQYCRFK-UHFFFAOYSA-N,3,1,0.523,57,709,468.369,6.109,5,0.312,0.84,1.0,0.7472500171338496,0.7638955520526352,0.8680265231992325,0.8923137550544856,0.8178714618600508
EOS-3-52440,Clc1ccc(-c2nnc3cncc(-c4cc(OCc5nc(Cl)ccc5Cl)ncn4)n23)cc1,GSMTXAYIYHDUAO-UHFFFAOYSA-N,3,1,0.394,45,140,484.734,5.183,5,0.317,0.73,1.0,0.6012696182578302,0.8359005551367281,0.8139349599067919,0.8856743883215681,0.7841948804057296
EOS-3-52441,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2F)s1,DIKAHJLDGUAERU-UHFFFAOYSA-N,3,1,0.734,43,431,484.463,4.938,5,0.323,0.73,1.0,0.9380954012747584,0.952367898019327,0.8680350901240491,0.8246264820779933,0.895781217874032
EOS-3-52442,COc1cc(-c2nnc3cncc(OCc4cc(-c5ccnn5C)ccc4Cl)n23)ccc1Cl,UQHCSJSPCPLXPW-UHFFFAOYSA-N,3,1,0.506,43,67,481.343,5.086,5,0.336,0.63,1.0,0.6776523199232404,0.7853471317935714,0.896768555959153,0.8699797820574326,0.8074369474333494
EOS-3-52443,Cc1ncc(Oc2cncc3nnc(-c4ccc(Cl)cc4OCc4cc(Cl)ccn4)n23)cn1,IDHYJLVIDUQYAL-UHFFFAOYSA-N,3,1,0.436,13,374,480.315,4.963,5,0.336,0.58,0.989,0.7077907614282777,0.7894849564800219,0.7303560413953807,0.7251730518812967,0.7382012027962441
EOS-3-52444,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)cc1,PDIHHNFKZYOJTH-UHFFFAOYSA-N,3,1,0.387,66,437,399.336,2.627,4,0.569,0.89,1.0,0.2642382290453019,0.2387430607908985,0.8593396614351313,0.6952316496470426,0.5143881502295936
EOS-3-52445,Cc1ncc(-c2nnc3cncc(OCc4nsc(-c5cscn5)n4)n23)c(-c2ccccc2)n1,GGNKYBHGTYQFQH-UHFFFAOYSA-N,3,1,0.398,28,321,485.558,4.111,6,0.343,0.64,1.0,0.3371855938592283,0.2900846412171887,0.030995133986704133,0.03920224796107189,0.17436690425604826
EOS-3-52446,FC(F)Oc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)n2)cn1,PVCKUZKDRITCKV-UHFFFAOYSA-N,3,1,0.283,30,301,483.442,4.097,6,0.348,0.53,0.959,0.09813412377492975,0.3103625522582414,0.6207251045164828,0.6227554656980331,0.4129943115619218
EOS-3-52447,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ccc2Cl)s1,ZRLOHPSCBVDXHS-UHFFFAOYSA-N,3,1,0.565,37,125,484.372,4.942,5,0.337,0.67,1.0,0.830126447810294,0.9062093071071208,0.4751473511068467,0.5958039202247961,0.7018217565622644
EOS-3-52448,Clc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)n2)cn1,BVGJFUKHSPQSCG-UHFFFAOYSA-N,3,1,0.426,56,425,488.924,3.722,6,0.348,0.69,1.0,0.5074275238160509,0.6037197587553972,0.16641251456377218,0.21977588924679597,0.3743339215955041
EOS-3-52450,COc1ncc(Cl)cc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nn1,SBHFTQOAQMDUBM-UHFFFAOYSA-N,3,1,0.309,38,620,487.936,4.22,6,0.355,0.66,1.0,0.2455023644712494,0.31552840792269204,0.31468028236584195,0.34080083613186213,0.30412797272291137
EOS-3-52451,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(Cl)nc5)n34)cn2)ccn1,BIUUFGVWYSAEHU-UHFFFAOYSA-N,3,1,0.329,96,478,403.808,4.103,5,0.422,0.81,1.0,0.31481735316290865,0.5187872661229525,0.8211825783016928,0.8584487012541978,0.6283089747104379
EOS-3-52452,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(-c3cn(-c4c(F)cccc4Cl)nn3)n12,LAHBHFGRBGOVAH-UHFFFAOYSA-N,3,1,0.318,3,783,486.873,5.033,6,0.347,0.66,1.0,0.046818244123089575,0.29527619765608937,0.8175587691042423,0.8908659447604688,0.5126297889109726
EOS-3-52453,Cc1cc(-c2nnc3cncc(-c4nc(-c5cncn5C)nn4C)n23)ccc1Cl,WNKFYNLWSKGBKI-UHFFFAOYSA-N,3,1,0.329,50,542,405.853,2.949,5,0.458,0.62,0.983,0.11615893358919882,0.2795987252415873,0.12402337057089986,0.19918100198752656,0.17974050784730314
EOS-3-52454,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6nccn6C)nc5F)n34)nc2)n1C,DNEFXLNUZHLUFL-UHFFFAOYSA-N,3,1,0.318,80,318,482.483,3.622,6,0.342,0.51,1.0,0.5147693783839353,0.4734082653690631,0.2347251730518813,0.15584092934000413,0.3446859365362209
EOS-3-52455,Cc1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5ncc(F)cn5)n4)n23)nn1,GRJFNVQRHGXMJX-UHFFFAOYSA-N,3,1,0.26,50,261,404.344,2.082,5,0.445,0.66,0.943,0.2588324994859845,0.30023644712494,0.06963196490987596,0.11866047563566583,0.1868403467891166
EOS-3-52456,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5nnc(-c6ccc(F)cc6)s5)n34)cn2)n1C,NQDVAAIBMRGKMB-UHFFFAOYSA-N,3,1,0.385,67,622,485.508,4.345,6,0.355,0.6,1.0,0.514777945308752,0.5007710232335001,0.23116133232814748,0.21699163868137894,0.36592548488794463
EOS-3-52457,Cn1ccnc1-c1cc(C(F)(F)F)cc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)n1,IYIZSUUESYADFW-UHFFFAOYSA-N,3,1,0.528,27,10,487.392,4.463,5,0.341,0.66,0.994,0.8226903570694264,0.8675382084846823,0.9727314783085463,0.944477760263176,0.9018594510314577
EOS-3-52458,Cc1cnnc(-c2cnc(Cl)c(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)n1,BKIMLPWQWRMMPB-UHFFFAOYSA-N,3,1,0.415,55,875,484.282,3.767,5,0.344,0.52,1.0,0.6956257281886095,0.7639041189774518,0.5407100267288054,0.6109930779247481,0.6528082379549036
EOS-3-52459,c1cc(-c2cscn2)nc(COc2cncc3nnc(-c4ccc(-c5cscn5)s4)n23)n1,QJUDVIACNFSGHI-UHFFFAOYSA-N,3,1,0.44,76,297,476.572,4.469,6,0.347,0.51,1.0,0.2802583784524707,0.1898516208621753,0.08762250702487835,0.08878760879994517,0.1616300287848674
EOS-3-52460,Fc1ccccc1-c1cnc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cn1,WQJPHJBOABFRJL-UHFFFAOYSA-N,3,1,0.386,10,72,403.808,4.103,5,0.451,0.76,1.0,0.30443424028510724,0.5234134055239531,0.7045695976972106,0.8226817901446097,0.5887747584127201
EOS-3-52461,Fc1ccc(Cl)cc1-c1ccc(-c2nnc3cncc(-c4cnccn4)n23)cn1,WZWOMGBDUUUUCE-UHFFFAOYSA-N,3,1,0.394,45,575,403.808,4.103,5,0.451,0.76,0.996,0.3246521828524433,0.5095264203961346,0.8018898636145569,0.8665872798300323,0.6256639366732917
EOS-3-52462,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nnc(Cl)s5)cn4)n23)cc1,FATHLZIAXQNKSU-UHFFFAOYSA-N,3,1,0.396,67,622,488.924,3.946,6,0.355,0.67,1.0,0.41399664176547185,0.46903913371256256,0.17294907819888972,0.17451682544033995,0.30762541977931607
EOS-3-52463,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4Cl)n23)c1F,IJJQMRBDPUFUPI-UHFFFAOYSA-N,3,1,0.553,35,352,465.941,5.637,5,0.325,0.62,1.0,0.8736464258789665,0.9062178740319375,0.8435251182235625,0.85001028030978,0.8683499246110616
EOS-3-52464,COc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)ccc1-c1ccsc1,ZFYNOVRJOIEPBG-UHFFFAOYSA-N,3,1,0.552,27,83,465.485,5.44,5,0.319,0.6,1.0,0.662368926050305,0.7054091563292441,0.9220324172435063,0.8464721403604962,0.7840706599958878
EOS-3-52465,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)ccc2F)cn1,HQBCKVQOUQROPK-UHFFFAOYSA-N,3,1,0.536,59,607,482.853,5.206,5,0.32,0.67,1.0,0.9673428825988624,0.9651754506202453,0.9677369611404291,0.9640274826948119,0.9660706942635872
EOS-3-52466,Fc1cc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)ccc1C(F)F,ZYUHUYBAALLVAX-UHFFFAOYSA-N,3,1,0.383,66,225,406.318,4.186,4,0.465,0.59,1.0,0.46254540470152833,0.6270046604071002,0.9782228771160304,0.967557055719279,0.7588324994859845
EOS-3-52467,Fc1cc(-c2ccnc(Cl)c2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,FDLUTOOLCCJOFV-UHFFFAOYSA-N,3,1,0.547,11,439,481.318,5.316,5,0.306,0.67,1.0,0.8580631896374478,0.8991244602837366,0.8836954286889178,0.9184257418956892,0.8898272051264478
EOS-3-52468,Fc1ccc(CCOc2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1F,YGNSOQOYNQOINA-UHFFFAOYSA-N,3,1,0.467,45,533,481.865,5.546,5,0.298,0.79,1.0,0.8376653416489617,0.960206634226578,0.9677455280652457,0.9690648344870125,0.9336705846069495
EOS-3-52469,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cccnc5Oc5ccc(F)cc5F)n34)nn2)cc1,UFIZHXCQQBWPIF-UHFFFAOYSA-N,3,1,0.333,10,783,486.417,4.644,6,0.35,0.65,0.999,0.1379103556987184,0.4113066273730382,0.8121359056952916,0.8348382564594613,0.5490477863066273
EOS-3-52470,COc1ncc(-c2nnc3cncc(OCc4ncc(-c5nnnn5C)o4)n23)cn1,QENYGLVKSBEVBU-UHFFFAOYSA-N,3,1,0.483,92,728,407.354,0.347,5,0.381,0.65,1.0,0.2588410664108012,0.14161983414433554,0.00422349393461723,0.0008224247824001096,0.10137670481803852
EOS-3-52471,Cn1nc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)n1C,DOGWAZHNDVPTBM-UHFFFAOYSA-N,3,1,0.632,36,256,404.409,2.643,5,0.448,0.74,1.0,0.7472585840586663,0.7099924611061613,0.26683400726475226,0.2759235144952368,0.5000021417312042
EOS-3-52472,Fc1cc(-c2ncc(Cl)cn2)cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c1,QFDPGYZMUXHRLO-UHFFFAOYSA-N,3,1,0.549,59,293,485.281,5.412,5,0.331,0.73,1.0,0.9370673702967582,0.912368926050305,0.94994345829621,0.9655095606880953,0.9412223288328422
EOS-3-52473,Fc1cnc(COc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cc1-c1ccsc1,LMMKZFYHYUFCRC-UHFFFAOYSA-N,3,1,0.494,73,469,457.412,5.05,5,0.273,0.63,1.0,0.7531012267836338,0.8394729627852786,0.9686536220958125,0.965081214447262,0.8815772565279967
EOS-3-52474,COc1cc(-c2ccns2)ccc1-c1cncc2nnc(-c3cnc(-c4cnn(C)c4C)cn3)n12,GDFFWZYOZMRWFN-UHFFFAOYSA-N,3,1,0.276,86,72,481.545,4.089,6,0.362,0.49,1.0,0.08374169008292784,0.04178945925570557,0.2382376122267151,0.16907682818175587,0.1332113974367761
EOS-3-52475,Fc1ccnc(CCOc2cncc3nnc(-c4cnc(Cl)c(-c5cncc(Cl)c5)c4)n23)c1,WKBWBGRTZDKZBO-UHFFFAOYSA-N,3,1,0.474,87,307,482.306,4.711,5,0.324,0.61,1.0,0.9201476937838393,0.9366304571311083,0.8121444726201082,0.8665958467548489,0.8838796175724761
EOS-3-52476,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)c2)s1,YNXBXAPJHJWXRO-UHFFFAOYSA-N,3,1,0.43,36,404,405.447,2.326,5,0.438,0.67,1.0,0.2772256870673703,0.20833047769172777,0.022471043794119662,0.014726543759851964,0.1306884380782674
EOS-3-52477,Cc1nnc(-c2nc(CCOc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)ccc2F)o1,KNTGYRWEUWRNOI-UHFFFAOYSA-N,3,1,0.418,53,52,487.377,3.114,5,0.329,0.58,0.155,0.6498526488931533,0.569631964909876,0.49940031526283324,0.3857343567952848,0.5261548214652868
EOS-3-52478,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nn[nH]n5)nc4)n23)c(F)c1,PAYKPZMIDBEVPV-UHFFFAOYSA-N,3,1,0.5,36,6,403.381,2.393,5,0.475,0.72,1.0,0.6237749297512165,0.6270132273319169,0.3629720375573984,0.3439448975395792,0.4894262730450277
EOS-3-52479,CCc1nc(-c2nnc3cncc(OCCc4cc(F)nc(Cl)n4)n23)ccc1-c1nccn1C,WMODTFPDBYLGRZ-UHFFFAOYSA-N,3,1,0.388,31,690,479.907,3.353,5,0.258,0.6,0.841,0.5899698444246453,0.565014392433692,0.10989651154821466,0.1186690425604825,0.3458874477417586
EOS-3-52480,COc1cc(-c2cccnn2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3OC)n12,MMGNZRMGFWHWFE-UHFFFAOYSA-N,3,1,0.309,52,697,493.527,3.825,6,0.364,0.78,0.999,0.2015883078610102,0.024347200328969913,0.29993660475635664,0.2254129257761634,0.18782125968062502
EOS-3-52481,CCc1nc(-c2cncc(-c3nnc4cncc(OCc5ccns5)n34)c2)no1,KRUSNDRZPCMCLL-UHFFFAOYSA-N,3,1,0.488,2,131,406.431,2.834,5,0.419,0.68,1.0,0.32466074977725995,0.29009320814200534,0.02870776506065383,0.024929751216503326,0.16709786854910563
EOS-3-52482,FCc1cc(-c2nnc3cncc(OCc4cc(-c5ccnc(Cl)c5)cnn4)n23)ccc1Cl,YZPHSIXYSKHQFZ-UHFFFAOYSA-N,3,1,0.457,4,534,482.306,4.999,5,0.315,0.65,1.0,0.7762147899390035,0.9103214310191213,0.8721386471112329,0.8936758961003358,0.8630876910424233
EOS-3-52483,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)c(F)n2)nc1,IBBKKMSCBWXCMU-UHFFFAOYSA-N,3,1,0.449,73,775,487.257,4.202,5,0.34,0.63,1.0,0.8627064628880817,0.9037677335343705,0.7504454800904667,0.8127098896580084,0.8324073915427319
EOS-3-52484,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(F)cn5)n34)n2)o1,MSQJPKRZRYMDGC-UHFFFAOYSA-N,3,1,0.394,7,128,404.365,2.658,5,0.436,0.69,1.0,0.5671561236378589,0.4690477006373792,0.22033273935987938,0.19636248372284285,0.3632247618394901
EOS-3-52485,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)c2)nn1,ZOCHZXRBZXSATR-UHFFFAOYSA-N,3,1,0.542,36,534,403.381,2.095,5,0.439,0.73,1.0,0.4922554999657323,0.5898242067027619,0.2926718525118224,0.30635323144404086,0.42027619765608937
EOS-3-52486,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncn5)n34)cnn2)cn1,TYXAKXIXNINVHT-UHFFFAOYSA-N,3,1,0.43,55,875,419.355,2.29,5,0.312,0.45,1.0,0.48976252484408195,0.5370776506065382,0.5065793982592008,0.4828061818929477,0.5040564389006922
EOS-3-52487,Fc1ncc(-c2cncc3nnc(-c4cccnc4-c4cncnc4)n23)cc1-c1cnc(Cl)nn1,FHYCFWPBTMFOOK-UHFFFAOYSA-N,3,1,0.279,94,165,483.858,3.35,6,0.343,0.49,0.959,0.24274381468028236,0.3539253649509972,0.39646014666575286,0.4584075800150778,0.36288422657802755
EOS-3-52488,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1csc(F)n1,IROGKJZAIFMUBK-UHFFFAOYSA-N,3,1,0.398,58,602,482.932,4.076,5,0.342,0.56,0.774,0.6237834966760332,0.6905198409978754,0.14758241381673634,0.18831814131999178,0.41255097320265915
EOS-3-52489,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4Br)n23)cn1,BHRBBIUSXDCOHD-UHFFFAOYSA-N,3,1,0.571,37,361,492.341,3.069,5,0.356,0.68,1.0,0.5810088410664108,0.5234219724487698,0.1507607429237201,0.1232951819614831,0.34462168460009596
EOS-3-52490,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)nc(Cl)n4)n23)c(OC)c1,YJWAQWCZGHCOMS-UHFFFAOYSA-N,3,1,0.42,36,908,481.879,3.24,5,0.255,0.64,1.0,0.472483037488863,0.5279110410527037,0.2630131587965184,0.21437015968747858,0.36944434925639086
EOS-3-52491,Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4F)n23)c(C)c(-c2ccccn2)n1,SBJGKSGDDAFLSV-UHFFFAOYSA-N,3,1,0.308,32,299,462.488,5.931,6,0.323,0.66,0.983,0.30444280720992395,0.3445017476526626,0.7146528682064286,0.7146443012816119,0.5195604310876567
EOS-3-52492,Fc1ccc(F)c(Cn2cc(-c3cncc4nnc(-c5ccc(-c6ncccn6)nc5)n34)nn2)c1F,QNWUIHXYTDPEFU-UHFFFAOYSA-N,3,1,0.281,10,872,486.421,3.367,6,0.341,0.52,0.988,0.19071688026865877,0.3344184771434446,0.5708056336097594,0.6227640326228497,0.4296762559111782
EOS-3-52493,O=C(c1ccc(-c2nnc3cncc(OCc4ncc(-c5ncccn5)cn4)n23)cc1)N1CCOCC1,MDDLOBTVMFWHKY-UHFFFAOYSA-N,3,1,0.583,89,943,495.503,2.09,6,0.345,0.84,1.0,0.26943835240901925,0.0035295730244671373,0.0046604071002672885,0.006562264409567541,0.0710476492358303
EOS-3-52494,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)cc(Cl)n2)cc1F,SMSMMHAUNVTCID-UHFFFAOYSA-N,3,1,0.679,88,732,481.865,5.546,5,0.298,0.77,1.0,0.978231444040847,0.9784970187101638,0.969904393119046,0.9767407991227469,0.9758434137482009
EOS-3-52495,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6cocn6)cn5)n34)n2)cc1,FWCDNMQDYFTTKX-UHFFFAOYSA-N,3,1,0.278,10,871,407.397,3.089,6,0.438,0.55,0.548,0.01482077993283531,0.013732780481118497,0.160124391748338,0.1991895689123432,0.09696688026865877
EOS-3-52496,Cc1cnc(-c2nnc3cncc(-c4cnc(C)c(NS(=O)(=O)c5ccc(F)cc5F)c4)n23)cn1,XKVUYKKGIFIDKY-UHFFFAOYSA-N,3,1,0.324,82,155,494.487,3.339,5,0.394,0.75,0.942,0.05668734151189089,0.10803748886299774,0.35896271674319785,0.36670721677746554,0.222598690973888
EOS-3-52497,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)s1,ZBZFYUIBNKAMFG-UHFFFAOYSA-N,3,1,0.57,75,496,407.484,3.654,5,0.439,0.65,1.0,0.3787266122952505,0.33442704406826124,0.12964327325063396,0.10931396066068125,0.23802772256870672
EOS-3-52498,Clc1cc(-c2nnc(COc3cncc4nnc(-c5nncnc5-c5ccccc5)n34)o2)ccn1,IYQASVFGAHGGKY-UHFFFAOYSA-N,3,1,0.37,81,880,484.867,3.321,6,0.321,0.56,1.0,0.41178637516277156,0.42925433486395725,0.10716366253169762,0.18289527791104104,0.28277491261736687
EOS-3-52499,CC(C)Oc1ccc(-c2cncc3nnc(-c4cnn(-c5cccc(C(F)(F)F)n5)n4)n23)c(F)c1,HUABVQZUXFEKRN-UHFFFAOYSA-N,3,1,0.312,22,542,484.417,4.379,5,0.342,0.61,0.296,0.09578678637516277,0.41131519429785485,0.9034764580906038,0.7951733945582894,0.5514379583304777
EOS-3-52500,Cc1nn(C)cc1-c1cncc2nnc(-c3nncnc3-c3ccnc(Cl)c3)n12,DZBNKXSAWBECEX-UHFFFAOYSA-N,3,1,0.3,50,105,404.825,2.401,5,0.421,0.68,0.381,0.04253478171475567,0.05645603454184086,0.09449318072784593,0.15311664724830376,0.08665016105818656
EOS-3-52501,Cn1nc(-c2nnc3cncc(OCCc4cnco4)n23)cc1-c1ccnc(F)c1,WBNVTBJRKWSLSS-UHFFFAOYSA-N,3,1,0.435,95,493,406.381,2.335,5,0.395,0.68,0.997,0.38560585292303473,0.22864265643204715,0.209923925707628,0.19637105064765953,0.25513587142759236
EOS-3-52502,COc1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)c(F)cc1-c1cscn1,PHEFSHRYUQGFSH-UHFFFAOYSA-N,3,1,0.454,87,279,483.916,4.127,5,0.34,0.54,0.995,0.7322150640805977,0.6952573504214927,0.5029213213624837,0.46776266191487903,0.5995390994448633
EOS-3-52503,Fc1cc(-c2nsc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)c2F)ccn1,KEIUDHASCUAORW-UHFFFAOYSA-N,3,1,0.372,85,243,457.416,4.511,5,0.285,0.55,0.975,0.3148259200877253,0.46905626756219587,0.797554999657323,0.7994911246658899,0.5952320779932835
EOS-3-52504,Fc1ccccc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cc6ccncc6nn5)nc4)n23)cn1,RCLGWHRMMCGZPK-UHFFFAOYSA-N,3,1,0.263,10,673,486.474,4.183,7,0.364,0.53,0.672,0.043956891234322525,0.290101775066822,0.5475978342814063,0.6079261188403811,0.37239565485573295
EOS-3-52505,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nc(Cl)cs5)cn4)n23)cc1,MRXGLGTVSWRMCW-UHFFFAOYSA-N,3,1,0.313,32,543,487.911,4.621,6,0.354,0.65,0.989,0.1848742375436913,0.3732780481118498,0.37817832910698373,0.5351672263724213,0.3678744602837365
EOS-3-52506,CCCn1nnc(-c2ccnc(COc3cncc4nnc(-c5ccc(F)cc5[N+](=O)[O-])n34)c2)n1,JQMHYOGXDCVCTJ-UHFFFAOYSA-N,3,1,0.46,36,404,476.432,2.876,5,0.241,0.6,1.0,0.4438695086011925,0.32517476526626005,0.031003700911520802,0.015823110136385442,0.20396777122883972
EOS-3-52507,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(F)c4)n23)cc1F,HUCJNGCUUOYKTO-UHFFFAOYSA-N,3,1,0.4,23,129,399.788,3.75,4,0.569,0.87,1.0,0.4512199300938935,0.560628126927558,0.9209872524158728,0.9247052977863066,0.7143851518059078
EOS-3-52508,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)ncn2)ccn1,UNWAVKYPNTXVFZ-UHFFFAOYSA-N,3,1,0.429,27,675,467.386,4.438,5,0.269,0.57,1.0,0.7704321156877527,0.8991330272085533,0.952367898019327,0.9310790898499075,0.8882530326913851
EOS-3-52509,Cc1nc(-c2ncc(Cl)cn2)c(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)s1,MCRXDVSGEQJHSF-UHFFFAOYSA-N,3,1,0.444,7,535,487.883,3.973,5,0.35,0.66,0.99,0.5380971146597218,0.5696405318346927,0.1958142005345761,0.22879686107874717,0.38308717702693446
EOS-3-52510,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)nc2Cl)s1,QLTADHBEJZXXAQ-UHFFFAOYSA-N,3,1,0.443,31,928,485.36,4.337,5,0.327,0.66,0.965,0.5753461037625934,0.6465629497635529,0.18255260091837433,0.3028836268932904,0.4268363203344528
EOS-3-52511,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)cc(Cl)n2)s1,ZYRXXFQMQUNWLP-UHFFFAOYSA-N,3,1,0.5,58,241,485.36,4.337,5,0.327,0.61,0.368,0.5957525186758961,0.7468131039681996,0.20993249263244465,0.33442704406826124,0.4717312898362004
EOS-3-52512,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)[nH]c1F,BYGHAYKDVUMPIB-UHFFFAOYSA-N,3,1,0.404,7,599,409.41,2.454,5,0.47,0.54,0.304,0.44387807552600916,0.38283873620725106,0.0945017476526626,0.09076656843259544,0.25299628195462953
EOS-3-52513,Clc1ccccc1-c1cncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,HYLCHIOFCOZCMJ-UHFFFAOYSA-N,3,1,0.359,69,695,460.928,6.236,6,0.311,0.77,1.0,0.29123260914262217,0.4203961346035227,0.8942241792886025,0.9257333287643068,0.6328965629497636
EOS-3-52514,Cc1ccc(-c2nnc3cncc(OCc4cc(F)nc(-c5cnc(C(F)(F)F)cn5)c4)n23)cn1,UCYSVXDLSVKBER-UHFFFAOYSA-N,3,1,0.462,27,69,482.401,4.084,5,0.273,0.63,1.0,0.8422572133506956,0.8558015214858474,0.9190082927832225,0.7994996915907066,0.854141679802618
EOS-3-52515,Cc1noc(C)c1-c1ccc(COc2cncc3nnc(-c4ccccc4Cl)n23)c(Cl)c1,QKOROOONKHVBNY-UHFFFAOYSA-N,3,1,0.536,43,521,466.328,5.949,5,0.319,0.75,1.0,0.6589935576725379,0.7378521006099651,0.8304862586525941,0.8533770817627304,0.7701772496744569
EOS-3-52516,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cnc(OC)cn1,VESOUSGHYOMWRC-UHFFFAOYSA-N,3,1,0.4,7,690,479.953,4.508,5,0.336,0.54,0.692,0.4534901651703105,0.5464327325063395,0.23824617915153176,0.19637961757247618,0.35863717360016445
EOS-3-52518,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)ncn1,LGAWWGOPMBDDAS-UHFFFAOYSA-N,3,1,0.537,24,486,406.406,2.818,5,0.411,0.63,1.0,0.4824035364265643,0.5053457610856007,0.31834692618737576,0.28756596532108836,0.39841554725515727
EOS-3-52519,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cccs5)n34)c2)ns1,IXPNOUJQSVWZSY-UHFFFAOYSA-N,3,1,0.649,4,921,406.496,4.259,5,0.434,0.74,1.0,0.3488965800836132,0.40184017545062023,0.1729576451237064,0.16908539510657256,0.2731949489411281
EOS-3-52520,OCC1(CN2CC=C2c2ccc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)cn2)CCOC1,GWEQWOLZRJNGHO-UHFFFAOYSA-N,3,1,0.326,78,169,475.94,2.957,6,0.425,0.43,0.644,0.15732300733328763,0.2589781372078679,0.037403193749571656,0.21978445617161263,0.16837219861558494
EOS-3-52521,Cc1c(F)ccc(COc2cncc3nnc(-c4ccnc(-c5cccnc5F)c4F)n23)c1F,CDIZSENXHPYRGS-UHFFFAOYSA-N,3,1,0.462,59,577,466.398,4.692,5,0.276,0.58,1.0,0.8326708244808444,0.8463265026386129,0.9469193338359263,0.9310876567747242,0.8892510794325269
EOS-3-52522,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc7ccccc7n6)cn5)n34)nc2)c1,CHTAKIDMJJITBE-UHFFFAOYSA-N,3,1,0.276,32,687,484.548,5.587,7,0.321,0.8,0.958,0.09110924542526215,0.15689466109245426,0.4580563360975944,0.5081985470495511,0.3035646974162155
EOS-3-52523,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c(F)cn2)nnc1Cl,BXPROWOMSGOHJL-UHFFFAOYSA-N,3,1,0.444,55,283,483.294,4.372,5,0.34,0.55,0.997,0.8301350147351106,0.8991415941333699,0.6994979782057432,0.7464361592762662,0.7938026865876224
EOS-3-52524,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)cc(Cl)c5)nn4)n23)cc1,RGXWZLJIHFHGAF-UHFFFAOYSA-N,3,1,0.311,3,783,482.91,5.202,6,0.343,0.63,1.0,0.03511582482352135,0.2333116304571311,0.7527756836406003,0.8079809471592078,0.45729602152011517
EOS-3-52525,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnco5)n4)n23)ccc1-c1ncccn1,CDNADWAUAGNCIQ-UHFFFAOYSA-N,3,1,0.5,81,247,485.414,3.551,6,0.345,0.52,1.0,0.652851072578987,0.6037283256802138,0.4363648824617915,0.42999109039819067,0.5307338427797957
EOS-3-52526,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)cn1,OHTHTPATIFOMNW-UHFFFAOYSA-N,3,1,0.342,61,336,402.849,3.785,5,0.454,0.8,1.0,0.15449592214378727,0.18986018778699199,0.41789459255705574,0.4614831060242615,0.30593345212802414
EOS-3-52527,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ncn2)cn1,IEUWINSASLAFJQ-UHFFFAOYSA-N,3,1,0.494,7,296,406.406,2.818,5,0.439,0.61,0.607,0.5868172160921116,0.5141953944212185,0.24530532520046605,0.24602494688506613,0.39808572064971554
EOS-3-52528,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(Cl)nc3-c3ccccn3)n12,HOAQARWVMDECIZ-UHFFFAOYSA-N,3,1,0.468,58,265,482.306,4.711,5,0.324,0.58,0.992,0.9481444040847098,0.9523764649441436,0.7201699677883627,0.7995082585155233,0.8550497738331848
EOS-3-52529,Clc1ccc(-c2nc(-c3cncc4nnc(-c5cccnc5-c5cnc(Cl)cn5)n34)n[nH]2)cn1,LXTRCZPZGOEOSN-UHFFFAOYSA-N,3,1,0.273,86,72,488.302,3.797,6,0.368,0.6,0.636,0.15178877390172024,0.33443561099307795,0.25265574669316704,0.4075800150777877,0.2866150366664382
EOS-3-52530,Fc1ccc(-c2nc(COc3cncc4nnc(-c5ccc(F)cn5)n34)cc(C(F)(F)F)n2)nc1,WFQGQBWFDCERAK-UHFFFAOYSA-N,3,1,0.442,46,128,486.364,3.914,5,0.345,0.55,1.0,0.7077993283530943,0.7853556987183881,0.8990045233363032,0.8266225755602769,0.8046955314920156
EOS-3-52532,Fc1ccc(COc2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)cc1F,IMXUXYXEPSJLAE-UHFFFAOYSA-N,3,1,0.505,14,358,479.437,5.572,5,0.286,0.73,1.0,0.8736549928037831,0.9273867452539236,0.9868669042560483,0.9796878212596807,0.941899115893359
EOS-3-52533,Cc1nnc(-c2ccc(F)c(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)c2)s1,YBCZCLVZXDOWOW-UHFFFAOYSA-N,3,1,0.54,27,51,487.442,4.75,5,0.331,0.72,1.0,0.7987715029812898,0.82530326913851,0.9115465012679048,0.8148087862380919,0.8376075149064492
EOS-3-52534,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cnccc5Cl)n34)ncn2)sc1Cl,GTVDUNCWIXGEBF-UHFFFAOYSA-N,3,1,0.421,18,481,485.36,4.337,5,0.35,0.59,0.93,0.5484802275375231,0.5279196079775204,0.23116989925296416,0.34395346446439584,0.4128807998081009
EOS-3-52535,Cc1cc(-c2ccccn2)c(F)cc1-c1nnc2cncc(-c3ccc(-c4csnn4)s3)n12,WTNIQWCGAVOAGG-UHFFFAOYSA-N,3,1,0.287,76,653,471.546,5.548,6,0.335,0.6,0.872,0.15450448906860392,0.2744328695771366,0.5440682612569392,0.5867229799191283,0.389932149955452
EOS-3-52536,Fc1cc(F)c(-c2cccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c2)cn1,GWNSNSZPYZPELG-UHFFFAOYSA-N,3,1,0.533,88,265,482.853,4.941,5,0.319,0.62,1.0,0.9370759372215749,0.9512713316427935,0.9530532520046604,0.9585018161880612,0.9499755842642725
EOS-3-52537,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(Cl)ccc4OCC4CCCO4)n23)cc1,NMQNATGRQNQNNF-UHFFFAOYSA-N,3,1,0.324,61,917,488.939,3.86,6,0.355,0.68,1.0,0.3246693167020766,0.3251833321910767,0.18576519772462477,0.36348605304639847,0.29977597491604413
EOS-3-52538,CCn1cc(-c2nnc3cncc(OCCc4ccncc4)n23)cc(-c2cc(F)cnc2OC)c1=O,ULGOBQMMURJIEQ-UHFFFAOYSA-N,3,1,0.479,35,657,487.495,3.199,5,0.328,0.6,1.0,0.4050099376327873,0.1943235556164759,0.3515865944760469,0.2579929408539511,0.30222825714481527
EOS-3-52539,Cc1cc(-c2nnc3cncc(OCc4cc(F)cc(-c5cc(Cl)n(C)n5)c4)n23)ccc1Cl,POWGMKMXYBXKTR-UHFFFAOYSA-N,3,1,0.56,43,521,483.334,5.525,5,0.329,0.77,1.0,0.7560225481461175,0.8813737920636009,0.9272582413816737,0.932612569392091,0.8743167877458707
EOS-3-52540,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(C(F)(F)F)nn5)ccc4F)n23)cn1,GXWXQFCFBSYFRF-UHFFFAOYSA-N,3,1,0.379,96,204,494.412,3.828,5,0.378,0.79,0.972,0.31483448701254196,0.43401754506202456,0.8861455691864848,0.7717171544102529,0.601678688917826
EOS-3-52541,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccs5)n34)c2)nc1,NHTHVGUGWORLMG-UHFFFAOYSA-N,3,1,0.699,4,921,404.43,4.028,5,0.44,0.76,1.0,0.707807895277911,0.7004232060859434,0.520449249537386,0.5050973202659174,0.6084444177917895
EOS-3-52542,Cc1cc(-c2nnc3cncc(OCc4cc(Cl)cc(Cl)c4Cl)n23)ccc1Cl,DJIMEFVOIRWVSW-UHFFFAOYSA-N,3,1,0.627,23,627,454.144,6.292,4,0.34,0.75,1.0,0.9381039681995751,0.9727571790829964,0.9891114385580152,0.9970358440134329,0.9742521074635049
EOS-3-52543,COc1cc(-c2nnc3cncc(OCc4nc5ccccc5s4)n23)ccc1-c1cccc(C)n1,OLRYLBUUWJAOJK-UHFFFAOYSA-N,3,1,0.475,1,891,480.553,5.359,6,0.317,0.71,1.0,0.4323212939483243,0.4248166678089233,0.42880028784867386,0.3376396408745117,0.4058944726201083
EOS-3-52544,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NCC(F)F)nc5)n34)ccn2)o1,BRNRLDMJIDLITB-UHFFFAOYSA-N,3,1,0.434,27,205,492.446,3.119,5,0.347,0.7,1.0,0.5643376053731752,0.37804982523473374,0.3964687135905695,0.24033650880679872,0.39479816325131933
EOS-3-52545,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)nc2Cl)nc1,GREOJJLHXWJVQQ-UHFFFAOYSA-N,3,1,0.402,73,665,487.257,4.202,5,0.34,0.61,1.0,0.8492649578507299,0.8213710506476595,0.745613734493866,0.8079895140840244,0.8060598142690699
EOS-3-52546,Fc1ccc(CCOc2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)cc1F,SSKVFVSHFTYGIF-UHFFFAOYSA-N,3,1,0.438,96,315,480.425,5.086,5,0.302,0.68,1.0,0.6835549311219244,0.7330888904118977,0.9557346994722774,0.9343859228291412,0.8266911109588102
EOS-3-52547,c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)s5)n34)cc2)cc1,DYEWQPCEMZHUOY-UHFFFAOYSA-N,3,1,0.304,93,651,431.524,6.249,6,0.331,0.77,1.0,0.12994311561921731,0.13071413885271743,0.7889366732917552,0.834846823384278,0.471110187786992
EOS-3-52548,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)nc5)n34)cc2)cc1,YFFBSRHJTMPWKB-UHFFFAOYSA-N,3,1,0.369,21,810,439.522,6.496,6,0.315,0.86,1.0,0.18785552737989172,0.20352443286957714,0.8837039956137345,0.8869851278185182,0.5405172709204303
EOS-3-52549,CC(C)(C)N=c1cnc(-c2cncc3nnc(-c4ccc(-c5ccncn5)c(F)c4)n23)c[nH]1,UGMOWBZJOJIJRU-UHFFFAOYSA-N,3,1,0.3,82,155,441.474,3.477,5,0.459,0.43,0.947,0.11616750051401549,0.13424371187718456,0.492495373860599,0.3246007813035433,0.2668768418888356
EOS-3-52550,CCn1nc(C)nc2ccc-2ccc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cn4)cc3)n12,FKVVPMBLBSZIFL-UHFFFAOYSA-N,3,1,0.298,62,193,476.519,5.187,6,0.348,0.59,1.0,0.2694469193338359,0.3394129943115619,0.46142313755054487,0.4362877801384415,0.37664270783359605
EOS-3-52552,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5Cl)n34)cc2F)s1,GNAXTIWTKHNOIY-UHFFFAOYSA-N,3,1,0.551,37,629,485.907,4.566,5,0.325,0.65,1.0,0.8756853539853334,0.9218610787471729,0.632144815297101,0.6719296141457063,0.7754052155438285
EOS-3-52553,Fc1cccc(-c2ncoc2-c2cncc3nnc(-c4cc(C(F)(F)F)ccc4Cl)n23)c1,DLPIEDWUNNVAON-UHFFFAOYSA-N,3,1,0.376,45,315,459.79,5.925,5,0.313,0.72,1.0,0.4345058597765746,0.6952659173463094,0.9947741758618326,0.9959392776368995,0.780121307655404
EOS-3-52554,c1ccc(-c2nccnc2-c2nnc3cncc(OCc4csc(-c5cncs5)n4)n23)cc1,PCLSRLNATNWGKG-UHFFFAOYSA-N,3,1,0.419,28,365,470.543,4.407,6,0.353,0.48,0.99,0.34666061270646287,0.2538808169419505,0.0852409019258447,0.11166129806044822,0.19936090740867657
EOS-3-52555,Cc1nnc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)[nH]n2)s1,OGNBCXGHDNCKFQ-UHFFFAOYSA-N,3,1,0.394,20,658,406.435,1.753,5,0.448,0.61,0.763,0.28026694537728736,0.1307227057775341,0.010331711328901377,0.007410389966417655,0.10718293811253511
EOS-3-52556,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6ccns6)c5)n34)c2)cn1,OAQNEDOIGOXMAA-UHFFFAOYSA-N,3,1,0.424,41,78,481.516,5.09,6,0.306,0.67,1.0,0.5671646905626756,0.48670413268453155,0.7303646083201973,0.7091529024741279,0.6233465835103831
EOS-3-52557,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5cccs5)n34)c2)s1,XVOZFHNQDCFPFA-UHFFFAOYSA-N,3,1,0.615,4,506,406.496,4.259,5,0.434,0.71,1.0,0.38561441984785144,0.4425502021794257,0.18577376464944143,0.18014529504489069,0.29852092043040235
EOS-3-52558,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)ncn2)c(F)n1,XCYPQNLVTCRVOV-UHFFFAOYSA-N,3,1,0.378,44,971,453.359,4.3,5,0.228,0.62,0.921,0.7168802686587622,0.7004317730107601,0.9142193818107053,0.8882444657665685,0.8049439723116991
EOS-3-52559,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc(C)n2)cn1,OMXIALJVXWVUMV-UHFFFAOYSA-N,3,1,0.365,33,53,494.519,2.521,6,0.358,0.78,1.0,0.24275238160509904,0.09506716469056267,0.023430539373586457,0.016397094099102186,0.09441179494208758
EOS-3-52561,Cn1cc(-c2ccc(-c3nnc4cncc(COc5cccnc5)n34)c(F)c2)nn1,YDFAQJLIUKJJPH-UHFFFAOYSA-N,3,1,0.38,14,487,402.393,2.7,5,0.446,0.8,1.0,0.39232232197930234,0.4158984990747721,0.45085155232677676,0.4205846069494894,0.4199142450825852
EOS-3-52562,Cc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)c(-c2ccc(C(=O)NC3CC3)cn2)n1,RWTSTXFYJZKHSE-UHFFFAOYSA-N,3,1,0.448,33,53,493.531,2.86,6,0.346,0.79,1.0,0.3068244123089576,0.08568638201631143,0.04031594818723871,0.04545610307723939,0.11957071139743679
EOS-3-52563,Clc1ccc(-c2nnccc2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cc1Cl,FNVINDUAZSQLQK-UHFFFAOYSA-N,3,1,0.284,10,693,487.314,4.402,6,0.388,0.55,1.0,0.26669693646768555,0.3828473031320677,0.5898242067027619,0.7119028853402782,0.48781783291069836
EOS-3-52564,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cnc6ccccc6c5)n34)c2)sc1F,MQXXJCNKWZGSCG-UHFFFAOYSA-N,3,1,0.444,11,891,483.532,4.927,6,0.332,0.67,1.0,0.6127407305873483,0.6134603522719485,0.4105013364402714,0.4109039819066548,0.5119016003015557
EOS-3-52565,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccnn5)ncc4Cl)n23)o1,FHXXQZYKFRYMJF-UHFFFAOYSA-N,3,1,0.353,53,502,487.871,2.659,6,0.341,0.59,0.998,0.29911417997395656,0.24402028647796586,0.048197519018573096,0.06532280172709204,0.16416369679939688
EOS-3-52566,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CCCC5(F)F)cc4)n23)cc1F,RYCFVCKQCRLYQV-UHFFFAOYSA-N,3,1,0.337,0,862,494.477,3.875,5,0.439,0.72,1.0,0.3418888355835789,0.3636231238434651,0.6752792817490234,0.6572973065588377,0.5095221369337263
EOS-3-52567,Cc1cc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6cc(F)ccn6)cc5)n34)n2)sc1F,RSQQVXHXGIZKGH-UHFFFAOYSA-N,3,1,0.318,29,136,484.495,5.02,6,0.347,0.61,0.728,0.25884963333561783,0.4113237612226715,0.5509389349599068,0.5897556713042287,0.4527170002056062
EOS-3-52568,Cc1ncc(-c2cncc3nnc(-c4ccc(-c5ncn(C)n5)s4)n23)c(-c2ccc(Cl)nc2)n1,LCPZKGHBFQZUKD-UHFFFAOYSA-N,3,1,0.267,99,794,486.952,4.129,6,0.342,0.58,0.864,0.10049859502433006,0.20833904461654446,0.1387584812555685,0.18290384483585773,0.15762499143307518
EOS-3-52569,Cc1nc(COc2cncc3nnc(-c4ccsn4)n23)cc(-c2cnc(C)o2)n1,NYPKQRSILTXMGJ-UHFFFAOYSA-N,3,1,0.427,7,464,406.431,2.889,5,0.434,0.61,1.0,0.17344595983825645,0.11694709067233226,0.04178089233088891,0.02331060242615311,0.08887113631690768
EOS-3-52570,O=C1CCCN1c1cc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc(Cl)c1F,DKXAEZIZVDNGIL-UHFFFAOYSA-N,3,1,0.467,68,127,489.845,4.017,5,0.403,0.6,0.999,0.34890514700842984,0.3780583921595504,0.27811664724830376,0.4457627989856761,0.36271074635049005
EOS-3-52571,Cc1cc(-c2cccc(F)c2F)cc(-c2cncc3nnc(-c4cc(F)ccc4C)n23)c1,IHBPXWPUMZTJDE-UHFFFAOYSA-N,3,1,0.333,57,533,430.433,6.159,5,0.344,0.71,1.0,0.35565588376396406,0.5696490987595093,0.9855133301350147,0.9866784319100815,0.7243741861421424
EOS-3-52572,Fc1cc(-c2nnc3cncc(Cn4ccnc4-c4ccc(F)c(F)c4F)n23)cnc1Cl,HKSVVRSMZAWHCQ-UHFFFAOYSA-N,3,1,0.333,73,575,459.794,4.308,5,0.227,0.6,1.0,0.3466691796312796,0.537086217531355,0.9384980467411418,0.9573881159618943,0.6949103899664176
EOS-3-52573,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)nc2F)s1,FEPSPUQAVWXFJU-UHFFFAOYSA-N,3,1,0.398,31,928,486.895,3.961,5,0.332,0.63,0.997,0.6096994722774313,0.6709272839421562,0.2963213624837228,0.38922109519566855,0.4915423034747447
EOS-3-52574,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cc5F)n34)nc2F)s1,RDFYZXVEJPABOQ-UHFFFAOYSA-N,3,1,0.396,31,237,486.895,3.961,5,0.332,0.63,0.998,0.6321533822219176,0.6709358508669728,0.27442430265231993,0.36671578370228225,0.48605732986087313
EOS-3-52575,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5nncc(-c6cnco6)n5)n34)c2)cn1,PGQTULAHVOGUPY-UHFFFAOYSA-N,3,1,0.35,80,160,484.867,3.321,6,0.321,0.51,1.0,0.4370845041463916,0.45139983551504353,0.2453138921252827,0.29375985196353915,0.35688952093756426
EOS-3-52576,c1cc(-c2cc[nH]n2)nc(-c2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)c1,NUQQGDHVGMIGRB-UHFFFAOYSA-N,3,1,0.307,38,126,406.409,3.898,6,0.473,0.61,1.0,0.1434188883558358,0.16067267493660475,0.43267253786580767,0.4331779864299911,0.29248552189705984
EOS-3-52577,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(C)n5)n34)cc(Cl)n2)s1,AGDDCUZTMAUAGI-UHFFFAOYSA-N,3,1,0.484,87,661,481.944,4.736,5,0.323,0.61,1.0,0.6590021245973545,0.772565279967103,0.4036906312110205,0.39519224179288603,0.557612569392091
EOS-3-52579,FCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1F,OTNBZNKINJJGRA-UHFFFAOYSA-N,3,1,0.598,90,400,401.804,4.07,4,0.487,0.81,1.0,0.9391319991775752,0.9582533753683777,0.8707593722157494,0.882735933109451,0.9127201699677883
EOS-3-52580,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)nc5Cl)n4)n23)cc1,JUELTMRYXDMOEU-UHFFFAOYSA-N,3,1,0.321,98,882,490.318,3.536,6,0.345,0.66,1.0,0.026771640052086904,0.17282057432663972,0.22363100541429648,0.3504129257761634,0.19340903639229662
EOS-3-52581,Cn1nnc(-c2ccc(F)c(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6(F)F)nc5)n34)c2)n1,DLVVRDHAVLRSQW-UHFFFAOYSA-N,3,1,0.33,61,336,492.425,2.32,6,0.396,0.63,1.0,0.22650949215269686,0.3686090740867658,0.5339421561236378,0.4981409773147831,0.4068004249194709
EOS-3-52582,CN=c1nc[nH]c(COc2cncc3nnc(-c4ccc(-c5nncc(C)n5)c(C)n4)n23)c1F,NLQMHFVUAUKWSK-UHFFFAOYSA-N,3,1,0.318,31,690,459.449,1.627,5,0.414,0.5,0.363,0.30957439517510793,0.23332019738194779,0.04032451511205538,0.021605784387636214,0.15120622301418682
EOS-3-52583,Cc1cc(-c2nnc3cncc(-c4ccc(Cl)c(F)c4Cl)n23)cc(C2(F)COC2)c1,VCOUCTSEOFGZQN-UHFFFAOYSA-N,3,1,0.327,23,129,447.272,5.408,5,0.395,0.55,1.0,0.48977109176889866,0.7146700020560619,0.9931721609211157,0.9957850729901995,0.7983495819340689
EOS-3-52584,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncc6)cn5)n34)c(Cl)c2)n1,ONUMSPUDFQVNLH-UHFFFAOYSA-N,3,1,0.321,32,20,475.943,5.939,6,0.314,0.74,1.0,0.2694554862586526,0.37328661503666644,0.8037660201494071,0.8208056336097594,0.5668284387636214
EOS-3-52585,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,RINLYYPOOOGJTH-UHFFFAOYSA-N,3,1,0.507,36,706,404.821,3.428,5,0.452,0.68,1.0,0.6744654238914399,0.7554742649578507,0.32194503461037627,0.38267596463573433,0.5336401720238503
EOS-3-52586,OC(F)(c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(C(F)F)n5)c4)n23)cn1)C(F)F,MIOGKLQVVRSJMB-UHFFFAOYSA-N,3,1,0.348,27,243,488.38,3.751,5,0.363,0.59,0.062,0.06367795216229183,0.2847731478308546,0.9784713179357138,0.942850044548009,0.5674431156192173
EOS-3-52587,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(Cl)c2)cs1,HAPJHPKLEOZMQH-UHFFFAOYSA-N,3,1,0.54,35,684,483.384,5.547,5,0.315,0.79,1.0,0.8468233842779795,0.8647710917688987,0.6969107669111095,0.7490319374957165,0.7893842951134261
EOS-3-52588,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cc1-c1ccccc1F,FQWCYARQUACMIM-UHFFFAOYSA-N,3,1,0.452,95,266,484.322,4.654,5,0.326,0.63,0.984,0.5381056815845384,0.5464412994311562,0.6668408608046056,0.7693955177849359,0.630195839901309
EOS-3-52589,c1c[nH]c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)cc5)n34)cc2)n1,CXMFWIQXDTYYRM-UHFFFAOYSA-N,3,1,0.289,9,537,405.425,3.634,6,0.463,0.67,1.0,0.17345452676307313,0.13425227880200125,0.48587314097731477,0.479756356658214,0.3183340758001508
EOS-3-52590,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4)n23)cnc1F,IJZCZIYSTSECNE-UHFFFAOYSA-N,3,1,0.512,97,22,405.368,3.434,5,0.45,0.65,1.0,0.8976252484408197,0.7238023439106298,0.8248235213487767,0.7835138098828045,0.8074412308957577
EOS-3-52591,c1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)n2)cc1,IYJBJOLYHVKLOA-UHFFFAOYSA-N,3,1,0.265,10,871,407.401,2.219,6,0.471,0.54,0.648,0.023336303200603113,0.05646460146665753,0.07588582002604345,0.0987338085120965,0.06360513330135015
EOS-3-52592,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ncn2)[nH]c1F,VBGDEVJPESVSMI-UHFFFAOYSA-N,3,1,0.483,7,599,408.422,3.059,5,0.476,0.58,0.268,0.49226406689054897,0.4961877184565828,0.182561167843191,0.1690939620313892,0.335026728805428
EOS-3-52593,Fc1cc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c(F)c2)ncn1,ZMACWMQPKMRPAF-UHFFFAOYSA-N,3,1,0.511,27,69,486.364,3.914,5,0.272,0.71,1.0,0.8888612843533685,0.9062264409567542,0.9574138167363443,0.9003837982317867,0.9132213350695634
EOS-3-52594,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(C6(C)CC6)c5)n34)cc2)nn1,UVQRRFJGIFKCHA-UHFFFAOYSA-N,3,1,0.305,61,336,408.469,3.929,6,0.448,0.6,1.0,0.08167706120211089,0.09180316633541225,0.0802378178329107,0.17193818107052292,0.1064140566102392
EOS-3-52595,CCOc1nc(Cc2cncc3nnc(-c4ccc(F)c(F)c4)n23)ccc1Cl,XNAJXRVYWLMTKE-UHFFFAOYSA-N,3,1,0.442,23,281,401.804,4.107,4,0.503,0.83,1.0,0.6744739908162566,0.8326451237063943,0.832216777465561,0.8408522376807621,0.7950470324172435
EOS-3-52596,Cc1noc(-c2cccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)n1,UPBQLAHVBARXOO-UHFFFAOYSA-N,3,1,0.628,13,15,404.817,4.595,5,0.432,0.78,1.0,0.5984168322938798,0.6368309231718182,0.5509475018847234,0.5987252415872798,0.5962301247344253
EOS-3-52597,COc1cc(-c2nnc3cncc(OCc4nc(C)cs4)n23)ccc1-c1ncc(Cl)cc1F,UABKJDYGANEKTB-UHFFFAOYSA-N,3,1,0.506,4,61,482.928,4.998,5,0.336,0.65,1.0,0.6381416626687684,0.7054177232540607,0.5802463847577274,0.5249554519909533,0.6121903056678775
EOS-3-52598,Cc1n[nH]c(-c2ncc(COc3cncc4nnc(-c5cncnc5)n34)cc2F)n1,HXEZCRRHBQGYFF-UHFFFAOYSA-N,3,1,0.446,7,435,404.369,1.788,5,0.465,0.64,1.0,0.5839901309026112,0.5323744088821877,0.1446182578301693,0.1340723733808512,0.34876379274895486
EOS-3-52599,Cn1cnnc1-c1ccc(-c2nnc3cncc(C(F)c4nnc(-c5cccc(Cl)c5)o4)n23)cc1,GAGJCQWYAYNBOO-UHFFFAOYSA-N,3,1,0.37,67,642,487.886,4.349,6,0.352,0.61,1.0,0.3219878692344596,0.4471763415804263,0.49581077376464944,0.5184188883558358,0.4458484682338428
EOS-3-52600,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2Cl)c(F)cn1,UTDRAVHUFDFUCU-UHFFFAOYSA-N,3,1,0.552,88,919,482.853,4.941,5,0.319,0.61,1.0,0.9668631348091289,0.977023507641697,0.9594013432938112,0.9615259406483448,0.9662034815982455
EOS-3-52601,Cc1cccnc1-c1cc(F)c(-c2nnc3cncc(OCc4cc(Cl)ncc4Cl)n23)cn1,KICJUHDVOXUJLO-UHFFFAOYSA-N,3,1,0.446,55,577,482.306,4.977,5,0.327,0.62,0.999,0.8515780275512302,0.8428825988623124,0.7975635665821397,0.8266311424850935,0.8296638338701939
EOS-3-52602,Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(Cl)n2)n1,QNFKOFQUZIEMAT-UHFFFAOYSA-N,3,1,0.506,58,28,478.343,4.88,5,0.321,0.56,1.0,0.8756939209101501,0.8892896305942019,0.5996590363922967,0.6344407511479679,0.7497708347611541
EOS-3-52603,Oc1ccc(-c2ncc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)cc2F)cc1,AOPLFOKMBUADPX-UHFFFAOYSA-N,3,1,0.467,59,13,483.837,5.209,5,0.345,0.66,1.0,0.9447947364813927,0.9471677746556096,0.9702299362620793,0.9722945651428964,0.9586217531354945
EOS-3-52604,Clc1cncc(COc2cncc3nnc(-c4ccnc(-c5cc[nH]n5)c4)n23)n1,MCTGVWVNYQCSAZ-UHFFFAOYSA-N,3,1,0.446,7,94,405.809,2.599,5,0.473,0.57,1.0,0.462553971626345,0.5323829758070043,0.2630217257213351,0.2907271605784388,0.38717145843328077
EOS-3-52605,CCOCc1csc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ncn2)c1,JINUXCVDVNRPPG-UHFFFAOYSA-N,3,1,0.34,44,971,464.938,5.292,5,0.323,0.61,0.096,0.5023045027756836,0.5007795901583167,0.5605767253786581,0.5613220478377082,0.5312457165375917
EOS-3-52606,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)n1,CDQZCOQUBQWCSR-UHFFFAOYSA-N,3,1,0.494,65,981,404.459,2.665,5,0.429,0.71,1.0,0.4848451099993146,0.34451031457747927,0.08763107394969502,0.07448084435610994,0.24786683572064971
EOS-3-52607,Cc1nc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)ncc1F,HWVOGPKIEZUADM-UHFFFAOYSA-N,3,1,0.495,89,637,495.518,4.167,6,0.361,0.94,1.0,0.612749297512165,0.23875162771571518,0.32923548762936056,0.312512850387225,0.37331231581111646
EOS-3-52608,Cc1nc(-c2cncc(F)c2)cc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)n1,IDUNPNAXZXIFMF-UHFFFAOYSA-N,3,1,0.382,6,868,491.49,4.127,6,0.339,0.71,1.0,0.6865447878829415,0.5095349873209513,0.5543228702624906,0.5216057843876362,0.5680021074635049
EOS-3-52609,Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5cc(C)no5)cc4F)n23)cn1,WDNVXAUJAWPNFT-UHFFFAOYSA-N,3,1,0.432,82,412,403.377,3.785,5,0.446,0.82,1.0,0.6351432389829347,0.6086200397505311,0.45463813309574397,0.33443561099307795,0.508209255705572
EOS-3-52610,Cc1ccc(-c2nnc3cncc(OCc4cnn(-c5ncc(F)cn5)n4)n23)cn1,XDEHYAWCQLAUBE-UHFFFAOYSA-N,3,1,0.477,92,185,404.369,1.584,5,0.43,0.72,1.0,0.20159687478582689,0.31553697484750876,0.04477931601672264,0.04546467000205606,0.15184445891302856
EOS-3-52611,Cc1cc(COc2cncc3nnc(-c4cccc(-c5cnc(C)s5)c4)n23)on1,OBHKMRBESJPSMJ-UHFFFAOYSA-N,3,1,0.618,16,655,404.455,4.099,5,0.435,0.82,1.0,0.3987560825166198,0.3344441779178946,0.2596634911932013,0.18550818998012472,0.2945929854019601
EOS-3-52612,Cn1nc(C(F)F)cc1-c1cccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,DZIOYGDDNAGHFJ-UHFFFAOYSA-N,3,1,0.457,16,772,485.857,4.896,5,0.34,0.65,1.0,0.6070265917346309,0.6225669933520663,0.9337348365430745,0.9062607086560208,0.7673972825714481
EOS-3-52613,CCn1cnnc1-c1cc(Cl)cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)c1,ILRFHRSVVYQKPY-UHFFFAOYSA-N,3,1,0.667,43,96,484.322,5.095,5,0.334,0.65,1.0,0.7137704749503119,0.797580700431773,0.8192550202179426,0.8666044136796656,0.7993026523199231
EOS-3-52614,Fc1cnsc1COc1cncc2nnc(-c3cc(-c4cnccn4)ncn3)n12,CVJHGFUVODFODI-UHFFFAOYSA-N,3,1,0.393,7,296,407.394,2.213,5,0.432,0.61,0.973,0.5147865122335686,0.44255876910424236,0.1184548694400658,0.13611986841203483,0.3029800047974779
EOS-3-52615,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(F)nn5)ns4)n23)cn1,KINZNDDGOUSQGB-UHFFFAOYSA-N,3,1,0.394,80,816,487.484,2.613,6,0.345,0.57,1.0,0.3856229867726681,0.4867126996093482,0.03741176067438832,0.04405112740730587,0.23844964361592763
EOS-3-52616,c1nc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6c[nH]nn6)c5)n34)nc2)n[nH]1,PWJCSFPTHWAJBQ-UHFFFAOYSA-N,3,1,0.222,99,286,409.377,1.213,6,0.432,0.5,0.832,0.07340997875402645,0.09807415530121308,0.06737029675827565,0.07998081008841067,0.07970881022548147
EOS-3-52617,Fc1c(Cl)cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1F,AUVCPZHGZATXDE-UHFFFAOYSA-N,3,1,0.584,57,236,470.266,6.231,5,0.312,0.78,1.0,0.9596754848879446,0.9759440751147967,0.9784798848605305,0.9871324789253649,0.9753079809471592
EOS-3-52618,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(-c6cccnn6)c5)n34)cc2)nc1,BWIMVWOGONKUCZ-UHFFFAOYSA-N,3,1,0.329,69,152,479.906,5.77,6,0.319,0.72,1.0,0.3489137139332465,0.5848553903090946,0.8979850592831198,0.9257418956891235,0.689374014803646
EOS-3-52619,CC#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)cn4)n23)cn1,KQEQYBSEOJGYNX-UHFFFAOYSA-N,3,1,0.375,96,680,406.424,4.426,5,0.415,0.72,0.998,0.31974333493249263,0.47341683229387976,0.8403296552669454,0.8286786375162771,0.6155421150023987
EOS-3-52620,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(Cl)nc(-c5cncnn5)n4)n23)c(F)c1,CRDPTZFOLIVGHK-UHFFFAOYSA-N,3,1,0.318,99,765,486.862,2.688,6,0.342,0.52,1.0,0.21530395449249537,0.3828558700568844,0.18904632992940854,0.2817918579946542,0.2672495031183606
EOS-3-52621,O=c1[nH]n(-c2ccc(Cl)nc2)cc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3F)n12,HYTBQKMIJKZGKI-UHFFFAOYSA-N,3,1,0.301,3,192,484.882,4.187,6,0.376,0.59,0.965,0.19072544719347542,0.35393393187581385,0.7550116510177507,0.8148173531629086,0.5286220958124872
EOS-3-52622,Cc1ncc(-c2ncc(-c3nnc4cncc(C5CCC(F)(C(F)(F)F)CC5)n34)cc2F)cn1,OSQDEOLXNWBIAW-UHFFFAOYSA-N,3,1,0.33,78,455,475.425,5.019,5,0.387,0.56,0.999,0.36723836611609895,0.5142039613460352,0.8100284421903914,0.8666129806044822,0.6395209375642519
EOS-3-52623,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(F)c(Cl)c4)n23)cn1,JWGIHJLSAXKUGP-UHFFFAOYSA-N,3,1,0.447,90,225,400.776,2.808,4,0.531,0.79,1.0,0.2991227468987732,0.38286443698170103,0.7688643684463026,0.7881485162086218,0.5597500171338496
EOS-3-52624,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1)N1CCC(F)(F)C(F)(F)C1,XIZYVFPRDROZBM-UHFFFAOYSA-N,3,1,0.388,0,169,490.848,4.623,5,0.392,0.71,0.999,0.3148430539373586,0.44718490850524295,0.8211911452265095,0.9039390720307039,0.6217895449249538
EOS-3-52625,Cc1cc(CCOc2cncc3nnc(-c4cncc(-c5cc(-c6nncn6C)on5)c4)n23)sn1,PCEWJVSPQHVAFU-UHFFFAOYSA-N,3,1,0.436,65,349,486.521,3.023,6,0.331,0.61,1.0,0.2855270372147214,0.15308237954903708,0.03742032759920499,0.03371941607840449,0.127437290110342
EOS-3-52626,Cc1csc(-c2nncnc2COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)n1,LDHRWAKERPGFEU-UHFFFAOYSA-N,3,1,0.452,6,297,486.546,3.506,6,0.345,0.62,0.999,0.3533342471386471,0.41133232814748816,0.028716331985470495,0.02873346583510383,0.2055290932766774
EOS-3-52627,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)cc5F)n34)ccc2Cl)c1,UTZGIIIREIPIDZ-UHFFFAOYSA-N,3,1,0.5,88,141,482.853,4.941,5,0.341,0.56,1.0,0.9634791995065451,0.9734082653690631,0.9153844835857721,0.9378041258309917,0.9475190185730931
EOS-3-52628,Fc1ccc(-c2cnc(-c3nnc4cncc(OCc5cccs5)n34)cn2)cn1,ONDWIMGAEJWTGN-UHFFFAOYSA-N,3,1,0.549,7,85,405.418,3.423,5,0.414,0.7,1.0,0.6321619491467343,0.631990610650401,0.4105099033650881,0.41410801178808854,0.5221926187375779
EOS-3-52629,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1,ZDHZXSVAYVLFDA-UHFFFAOYSA-N,3,1,0.529,9,558,405.364,4.715,5,0.421,0.78,1.0,0.6865533548077583,0.710001028030978,0.9493095058597766,0.9343944897539579,0.8200645946131178
EOS-3-52630,FC(F)c1ccc(-c2nnc3cncc(-c4ccsc4-c4cccc(Cl)c4)n23)cn1,FXCFTKSUEPRPFS-UHFFFAOYSA-N,3,1,0.383,96,46,439.878,6.173,5,0.336,0.71,0.962,0.2745613734493866,0.4867212665341649,0.9493180727845932,0.9591700363237612,0.6674426872729765
EOS-3-52631,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,VQISAKDSNWQFBD-UHFFFAOYSA-N,3,1,0.514,34,706,403.833,4.033,5,0.45,0.78,1.0,0.735067850044548,0.8394815297100953,0.5866630114454116,0.6169899252964156,0.6945505791241177
EOS-3-52632,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccnc(C(F)F)c4)n23)cn1,ZMCVDIDWFPCBHB-UHFFFAOYSA-N,3,1,0.318,50,243,404.384,3.586,5,0.455,0.68,0.993,0.2534610376259338,0.22865122335686383,0.6641422794873553,0.5772308272222603,0.4308713419231033
EOS-3-52633,CNC(=O)c1ccc(-c2nnc3cncc(Oc4nc(-c5ncc(F)cn5)c(F)cc4Cl)n23)cc1,GIXPUMOLYLNSNB-UHFFFAOYSA-N,3,1,0.423,73,665,494.849,3.727,5,0.392,0.75,1.0,0.787548831471455,0.622575560276883,0.48230073332876433,0.43318655335480777,0.5814029196079775
EOS-3-52634,COc1ccccc1-c1ncoc1-c1cncc2nnc(-c3ccc(-c4ccc(C)s4)cn3)n12,DWDMKSMWNNXTLT-UHFFFAOYSA-N,3,1,0.337,32,179,466.526,5.554,6,0.329,0.62,0.87,0.2207782194503461,0.12033959289973271,0.45086011925159347,0.3763964087451169,0.2920935850866973
EOS-3-52635,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)ncc4Cl)n23)ccc1Cl,VCDXKWBOJKLWCD-UHFFFAOYSA-N,3,1,0.511,59,89,481.318,5.582,5,0.305,0.75,1.0,0.9102871633198547,0.9481529710095264,0.9329038448358578,0.9404513055993421,0.9329488211911453
EOS-3-52636,Cc1nc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc(F)c1F,PXCUAPIMIPKXFC-UHFFFAOYSA-N,3,1,0.649,90,281,402.792,3.443,4,0.476,0.76,1.0,0.9739394147076965,0.9830203550133644,0.517305188129669,0.6110016448495648,0.7713166506750737
EOS-3-52637,FC(F)c1ncncc1-c1ccccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,OMASRZYBNLGUOL-UHFFFAOYSA-N,3,1,0.299,69,220,477.478,5.915,6,0.307,0.76,1.0,0.312307244191625,0.3686176410115825,0.887276403262285,0.8650366664382153,0.6083094887259269
EOS-3-52638,Cc1nsc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)cs2)n1,CJXKAHZBJJDZQE-UHFFFAOYSA-N,3,1,0.522,28,120,484.57,4.716,6,0.335,0.65,1.0,0.4117949420875882,0.39212528270851893,0.08024638475772737,0.09269412651634569,0.24421518401754505
EOS-3-52639,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(F)c(Cl)c5)s4)n23)nc1,FRBTYOJKEUJJOG-UHFFFAOYSA-N,3,1,0.282,98,314,490.915,3.96,6,0.365,0.66,0.814,0.14592899732711945,0.31037111918305804,0.25591974504831744,0.3892296621204852,0.275362380919745
EOS-3-52640,Cc1nccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccsc5)c4)n23)c1Cl,WSVFYZUCPUFAGX-UHFFFAOYSA-N,3,1,0.576,35,494,465.941,5.637,5,0.325,0.61,1.0,0.922734905078473,0.9273953121787403,0.8578404495922144,0.8681464601466657,0.8940292817490234
EOS-3-52641,Cn1ccc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ccc2Cl)n1,GEWVRQVHGAJIKD-UHFFFAOYSA-N,3,1,0.506,13,145,471.735,5.944,5,0.324,0.72,1.0,0.5048317455966006,0.8060448221506408,0.9363049139880748,0.9621513261599616,0.8023332019738194
EOS-3-52642,Cc1nnc(-c2cncc(-c3nnc4cncc(OCc5ncn(C)n5)n34)c2)s1,HKCVZOXTPVODFH-UHFFFAOYSA-N,3,1,0.376,92,105,406.435,1.721,5,0.429,0.62,1.0,0.18217565622644097,0.15309094647385374,0.011599616201768213,0.005705571927900761,0.08814294770749093
EOS-3-52643,Fc1cc(CCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1Cl,PZSGABKLSJDXBU-UHFFFAOYSA-N,3,1,0.524,66,225,403.795,4.702,4,0.484,0.79,1.0,0.7045952984716606,0.8463350695634295,0.9686621890206292,0.9696388184497293,0.8723078438763621
EOS-3-52644,Cc1cc(COc2nccnc2-c2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)ncc1C#N,IPGYOCVHDWSITD-UHFFFAOYSA-N,3,1,0.29,50,52,490.409,3.211,5,0.361,0.63,0.057,0.44159070659995886,0.4820865602083476,0.7122027277088616,0.5383455554794051,0.5435563874991433
EOS-3-52645,Fc1ccc(F)c(Oc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)c1,FVPLFICKRCSVQY-UHFFFAOYSA-N,3,1,0.453,13,995,408.393,4.38,5,0.439,0.64,1.0,0.6410287163319854,0.6516431361798369,0.8304948255774107,0.8348553903090946,0.7395055170995819
EOS-3-52646,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)[nH]c1F,MXVUABVUMICZFY-UHFFFAOYSA-N,3,1,0.472,55,283,408.422,3.059,5,0.476,0.54,1.0,0.48485367692413134,0.5606366938523748,0.19928380508532656,0.17719827290795695,0.3554931121924474
EOS-3-52647,c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(-c6ccsc6)s5)n34)cc2)cn1,GTRQVYQEYKJJHU-UHFFFAOYSA-N,3,1,0.506,40,355,468.567,5.617,6,0.316,0.64,1.0,0.5536203824275238,0.5795695976972106,0.5866715783702282,0.5481803851689397,0.5670104859159756
EOS-3-52648,Cn1nncc1-c1cccc(-c2nnc3cncc(COCc4ccc(-c5csnn5)n4C)n23)c1,FJJZTSCQAPEOJB-UHFFFAOYSA-N,3,1,0.364,71,351,484.549,3.161,6,0.34,0.5,1.0,0.14342745528065245,0.12401480364608321,0.17613597423069016,0.15312521417312042,0.14917586183263656
EOS-3-52649,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c3c(C)nnn3n2)s1,OXSNNKVBFBDRGA-UHFFFAOYSA-N,3,1,0.545,36,226,490.94,3.597,6,0.356,0.67,1.0,0.6438558015214858,0.7853642656432047,0.040333082036872046,0.10702659173463094,0.3941449352340484
EOS-3-52650,CC(C)(C)OC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(Cl)nn5)n4)n23)cc1,CDPONMYVEAOLLS-UHFFFAOYSA-N,3,1,0.357,52,423,485.935,4.919,5,0.33,0.73,0.818,0.34189740250839556,0.3539424988006305,0.5099461997121513,0.35042149270098005,0.3890518984305394
EOS-3-52651,Fc1c(F)c(F)c(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c(F)c1F,NUWRPSDXTBYFRT-UHFFFAOYSA-N,3,1,0.667,23,627,461.177,5.373,4,0.233,0.74,1.0,0.9871496127749982,0.9936604756356658,0.9985693235556165,0.9997258584058666,0.9947763175930368
EOS-3-52652,Clc1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)s5)n34)n2)cs1,AOWCHWBQIUTBTD-UHFFFAOYSA-N,3,1,0.324,76,368,473.974,5.754,6,0.324,0.66,1.0,0.10572441916249743,0.23332876430676444,0.4254420533205401,0.5152062915495854,0.31992538208484683
EOS-3-52653,Cn1nccc1-c1ccc(F)c(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cc4F)n23)c1,JFBWOLHRRLWSMI-UHFFFAOYSA-N,3,1,0.441,27,51,487.392,4.463,5,0.341,0.64,1.0,0.5753546706874101,0.6755962579672401,0.9830460557878145,0.9598810910835447,0.7984695188815023
EOS-3-52654,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4F)n23)c(F)c1,XHNSUNQOIQGKJT-UHFFFAOYSA-N,3,1,0.43,13,145,470.842,5.538,5,0.315,0.61,1.0,0.812178740319375,0.8428911657871291,0.9614402714001782,0.9567798642999109,0.8933225104516482
EOS-3-52655,CCCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5(F)CCOCC5)c(F)c4)n23)cn1,KNRDEWUZAVKVRX-UHFFFAOYSA-N,3,1,0.373,63,306,493.518,3.47,5,0.393,0.7,1.0,0.12691042423411691,0.12402337057089986,0.06737886368309232,0.13612843533685148,0.11361027345624014
EOS-3-52656,Fc1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cc1-c1ncccc1F,PGTOQNYFTOULDM-UHFFFAOYSA-N,3,1,0.464,13,236,471.801,5.855,5,0.307,0.67,1.0,0.939988691659242,0.9535158659447605,0.9865756288122816,0.9903879103556987,0.9676170241929958
EOS-3-52657,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5nc(F)ncc5Cl)ncc4Cl)n23)nc1,OFTNPSBMOMSNIT-UHFFFAOYSA-N,3,1,0.391,46,915,487.257,4.202,5,0.34,0.61,1.0,0.8252947022136934,0.8019155643890069,0.7504540470152834,0.8169333835926256,0.7986494243026523
EOS-3-52658,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccc2Cl)cn1,KMEPXLMXOFWODX-UHFFFAOYSA-N,3,1,0.539,88,141,481.318,5.316,5,0.306,0.67,1.0,0.9521622918237269,0.9806301829895141,0.9046072921664039,0.9318501130834076,0.942312470015763
EOS-3-52659,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)c(C(F)(F)F)c4)n23)nc1,PLTVUVCUSFRYOZ-UHFFFAOYSA-N,3,1,0.325,66,542,490.371,4.686,5,0.341,0.73,1.0,0.2883455554794051,0.39213384963333564,0.9943972311698992,0.9793879788910973,0.6635661537934343
EOS-3-52660,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(C(F)F)n5)n34)nc2F)s1,YDUBROUEAHGCKW-UHFFFAOYSA-N,3,1,0.42,58,237,484.467,4.106,5,0.318,0.61,0.945,0.6127578644369817,0.6368394900966349,0.37818689603180045,0.3344441779178946,0.4905571071208279
EOS-3-52661,Clc1ccc(Cl)c(Oc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)c1,DYXWLSJOSWAFBP-UHFFFAOYSA-N,3,1,0.471,13,995,469.719,6.001,5,0.3,0.76,1.0,0.5984253992186964,0.7894935234048386,0.9486584195737098,0.9725687067370297,0.8272865122335686
EOS-3-52662,Fc1ccc(-c2nnc3cncc(-c4cccc(-c5cccnc5F)c4)n23)c(-c2cccnc2)c1,ZKKXXFUOBLIOQB-UHFFFAOYSA-N,3,1,0.361,69,30,462.463,5.861,6,0.307,0.67,1.0,0.3742032759920499,0.4961962853813995,0.9378041258309917,0.9489496950174765,0.6892883455554795
EOS-3-52663,Clc1ccccc1-c1ncccc1-c1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,JBZFMABBXWWSLK-UHFFFAOYSA-N,3,1,0.373,69,695,460.928,6.236,6,0.311,0.74,1.0,0.28553560413953805,0.42040470152833936,0.840338222191762,0.8882530326913851,0.6086328901377562
EOS-3-52664,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)cn4)n23)cnn1,OOUBPKOTMAZJPR-UHFFFAOYSA-N,3,1,0.389,53,105,405.357,0.885,5,0.415,0.63,1.0,0.4776060585292303,0.33942156123637857,0.03621239120005483,0.056199026797340824,0.22735975944075112
EOS-3-52665,Cc1cc(-c2cc(F)c(Cl)c(COc3cncc4nnc(-c5ccc(F)cc5F)n34)c2)n(C)n1,ZJPZVCZFWGHWIW-UHFFFAOYSA-N,3,1,0.517,34,607,484.869,5.15,5,0.345,0.65,1.0,0.7293108765677473,0.867546775409499,0.9517767802069769,0.9482129394832431,0.8742118429168666
EOS-3-52666,Fc1ncc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(F)c1F,LYRSPLXQRNDNHE-UHFFFAOYSA-N,3,1,0.564,90,255,407.302,4.12,4,0.368,0.72,1.0,0.9791738057706806,0.9593071071208279,0.9915872798300323,0.987389486669865,0.9793644198478514
EOS-3-52667,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cc(F)cnn6)s5)n34)c(F)c2)n1C,NXEJINHLTPMOLQ-UHFFFAOYSA-N,3,1,0.325,98,63,488.487,3.754,6,0.369,0.56,0.733,0.184882804468508,0.29011034199163865,0.22741758618326366,0.287574532245905,0.24749631622232884
EOS-3-52668,Clc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)cc1,ZOYXBLRAJKZPLI-UHFFFAOYSA-N,3,1,0.595,4,32,403.833,3.604,5,0.446,0.76,1.0,0.4922726338153656,0.7330974573367144,0.5996676033171133,0.6315708313343842,0.6141521314508944
EOS-3-52669,COc1nc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)c(F)c4)n23)ccc1-c1ncon1,DUAHCXLJOWLYOQ-UHFFFAOYSA-N,3,1,0.426,46,896,488.361,3.377,5,0.328,0.61,1.0,0.8096086628743746,0.5989822493317799,0.7617281200740182,0.5351757932972381,0.6763737063943527
EOS-3-52670,Fc1cc(-c2cncc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)c(F)c5)n34)n2)ccn1,CGZYECQZBZTZMH-UHFFFAOYSA-N,3,1,0.31,32,72,482.429,4.79,6,0.334,0.56,1.0,0.390214858474402,0.5007881570831334,0.859348228359948,0.8798831471455006,0.657558597765746
EOS-3-52671,Fc1cc(Cl)cc(CCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,QUXNFJXYGAHQRF-UHFFFAOYSA-N,3,1,0.416,66,225,403.795,4.702,4,0.484,0.77,1.0,0.5432372695497224,0.7554828318826674,0.9620399561373449,0.9660578438763622,0.8067044753615243
EOS-3-52672,COc1cccc(F)c1-c1nnc2cncc(-c3cncc(-c4nnn(C)n4)c3)n12,VNZOYMOSQCBZSP-UHFFFAOYSA-N,3,1,0.39,50,859,403.381,2.192,5,0.449,0.74,1.0,0.21264820779932836,0.29011890891645536,0.2166318278390789,0.2170002056061956,0.23409978754026453
EOS-3-52673,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cc2F)cn1,IEVRQHRSHXDNBH-UHFFFAOYSA-N,3,1,0.536,57,13,481.409,4.997,5,0.251,0.75,1.0,0.9746847371667466,0.9459769721060928,0.9807158522376808,0.9650897813720787,0.9666168357206497
EOS-3-52674,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)ccc1Cl,HSGFKVQOGFFYHG-UHFFFAOYSA-N,3,1,0.449,59,153,485.281,5.412,5,0.331,0.73,1.0,0.8172503598108423,0.7895020903296552,0.9673343156740456,0.9779744362963471,0.8880153005277226
EOS-3-52675,Cc1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)cc(-c2ccnc(Cl)c2)n1,RBCCZOOYGBJBCB-UHFFFAOYSA-N,3,1,0.446,16,183,482.306,4.977,5,0.327,0.6,1.0,0.819966074977726,0.7810551024604208,0.8666815160030156,0.8730724419162498,0.835193783839353
EOS-3-52676,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(C(F)(F)F)c4)n23)cn1,LGAZPHDPTFREHE-UHFFFAOYSA-N,3,1,0.423,68,455,399.336,2.29,4,0.564,0.84,1.0,0.2721369337262696,0.32966383387019393,0.7930487972037558,0.5958124871496128,0.497665512987458
EOS-3-52677,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccc(C(F)F)c4)n23)cc1,ZBNULRKTAQJYHB-UHFFFAOYSA-N,3,1,0.338,61,121,403.396,4.191,5,0.45,0.81,1.0,0.20445822767459393,0.1943321225412926,0.8435336851483791,0.8226903570694264,0.5162535981084231
EOS-3-52678,Clc1cc(-c2ccsc2)ccc1-c1cncc2nnc(-c3ccc(-c4ncc[nH]4)cc3)n12,LDDDRKMSTLVMKQ-UHFFFAOYSA-N,3,1,0.329,69,30,454.946,6.23,6,0.342,0.73,1.0,0.277234253992187,0.3967942567336029,0.8735693235556165,0.9039476389555205,0.6128863683092317
EOS-3-52679,Fc1ccc(-c2cc(-c3nnc4cncc(COCc5ccc(C(F)(F)F)cn5)n34)ncn2)cn1,DCNJPGFCOSMNHF-UHFFFAOYSA-N,3,1,0.352,85,238,482.401,3.913,5,0.265,0.61,0.981,0.46509834829689534,0.4912874374614488,0.9458998697827428,0.8923223219793023,0.6986519943800973
EOS-3-52680,Cn1nc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)cc1-c1ccccn1,QCOIUIBVZBGNFA-UHFFFAOYSA-N,3,1,0.524,13,956,403.833,4.033,5,0.45,0.79,1.0,0.2991313138235899,0.41590706599958877,0.4179031594818724,0.5216143513124529,0.413638972654376
EOS-3-52681,Cc1cc(-c2cc(F)cc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)ccc1F,SQZWUSQVYQTGNA-UHFFFAOYSA-N,3,1,0.517,59,89,465.41,5.297,5,0.261,0.67,1.0,0.920156260708656,0.8866852854499349,0.9832345281337811,0.979396545815914,0.9423681550270715
EOS-3-52682,c1c[nH]c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2)n1,QOGNFIBQFNNIJF-UHFFFAOYSA-N,3,1,0.275,38,7,406.413,3.028,6,0.461,0.58,0.993,0.13536597902816805,0.1491929956822699,0.30718422315125765,0.3095572613254746,0.22532511479679257
EOS-3-52683,Cn1cnnc1-c1nc(-c2ccc(-c3nnc4cncc(OCCc5cncs5)n34)cn2)cs1,SGMHIVRKXKRNCQ-UHFFFAOYSA-N,3,1,0.46,6,981,488.562,3.183,6,0.333,0.64,1.0,0.46024946885066137,0.37806695908436705,0.02247961071893633,0.021614351312452883,0.2206025974916044
EOS-3-52684,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nc2F)s1,VDDAQIIPFZDDBK-UHFFFAOYSA-N,3,1,0.438,58,237,486.895,3.961,5,0.332,0.61,0.998,0.6895774792680419,0.7190648344870125,0.36645020903296555,0.4268727297649236,0.5504913131382358
EOS-3-52685,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5c(F)cc(F)c(F)c5F)n34)ccn2)nc1,BMCAZIUWSYLSLT-UHFFFAOYSA-N,3,1,0.483,73,665,471.349,3.918,5,0.218,0.63,1.0,0.8888698512781852,0.8496247686930299,0.9363134809128915,0.9257504626139401,0.9001396408745117
EOS-3-52686,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c(Cl)c1,QLUUNWMQXHVZLE-UHFFFAOYSA-N,3,1,0.466,67,722,486.948,5.156,6,0.332,0.78,1.0,0.484862243848948,0.5795781646220273,0.5173137550544856,0.5319460626413542,0.5284250565417038
EOS-3-52687,Clc1cccc(COc2cncc3nnc(-c4cc(-c5ccccn5)[nH]n4)n23)c1,TZLGXQMPBVCDLL-UHFFFAOYSA-N,3,1,0.489,44,348,403.833,3.809,5,0.479,0.73,1.0,0.5281851826468371,0.4690648344870125,0.5742409704612432,0.6518401754506202,0.5558327907614282
EOS-3-52688,Cc1ccc(-c2nnc3cncc(-c4cc(F)ccc4OCc4cccc(C(F)(F)F)c4)n23)cn1,DOCYUIBLLALPGG-UHFFFAOYSA-N,3,1,0.394,96,138,479.437,5.899,5,0.294,0.81,1.0,0.6895860461928586,0.8463436364882462,0.9943201288465492,0.9858560071276814,0.8790264546638338
EOS-3-52689,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5cc(F)ccc5Cl)n34)c2)c(F)c1,BZOCLRZXBLRGRP-UHFFFAOYSA-N,3,1,0.576,88,222,481.865,5.546,5,0.318,0.72,1.0,0.9499263244465767,0.9727657460078131,0.9775289562058803,0.9844852991570145,0.9711765814543212
EOS-3-52690,CC1CCC(C)N1C(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4)n23)nc1,SECHRVXSHZJOGX-UHFFFAOYSA-N,3,1,0.287,63,792,402.462,2.6,5,0.523,0.72,0.816,0.022231169899252966,0.006827839078884243,0.04328010417380577,0.04547323692687273,0.029453087519703925
EOS-3-52691,Cn1cncc1-c1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)s4)n23)ccc1Cl,RBIUSXQDWPHDOG-UHFFFAOYSA-N,3,1,0.337,85,647,490.98,3.785,6,0.388,0.61,0.986,0.1353745459529847,0.1569032280172709,0.04820608594338976,0.10487629360564732,0.11134003837982318
EOS-3-52692,FCCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cnc1Cl,HWTFRYPOXHOIKN-UHFFFAOYSA-N,3,1,0.459,2,328,485.31,4.3,5,0.317,0.6,0.924,0.47761462545404704,0.5848639572339113,0.5930882050579124,0.6690168597080393,0.5811459118634774
EOS-3-52693,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5c(F)ccc(Cl)c5F)n34)ncn2)nc1,BQIMZSGPYGLGPU-UHFFFAOYSA-N,3,1,0.43,73,842,484.829,3.731,5,0.336,0.49,0.941,0.8538396957028305,0.8213796175724762,0.7355904324583648,0.7813549448290041,0.798041172640669
EOS-3-52694,COc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3cc(Cl)cc(C)n3)n12,RIPZUJFNQWKGRX-UHFFFAOYSA-N,3,1,0.484,15,771,478.965,4.902,5,0.328,0.55,1.0,0.6042166403947639,0.584872524158728,0.5509560688095402,0.48281474881776437,0.5557149955451991
EOS-3-52695,CCn1cc(-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)cc4)n23)cn1,XISQSVOFCBDPJY-UHFFFAOYSA-N,3,1,0.329,39,961,402.849,3.785,5,0.454,0.79,1.0,0.11617606743883216,0.16068124186142144,0.2819546295661709,0.4041189774518539,0.2407327290795696
EOS-3-52696,CCc1ccc(C(F)(F)F)cc1-c1nnc2cncc(-c3ccc(-c4nnc(F)n4C)cc3F)n12,NJGOCTRRYYMJNA-UHFFFAOYSA-N,3,1,0.326,61,315,485.42,5.113,5,0.331,0.69,0.998,0.40090638064560347,0.5555136728120074,0.9715920773079295,0.9459941059557261,0.7185015591803167
EOS-3-52697,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cccc(Cl)n5)s4)n23)cn1,GWLIJFDJGFYZTQ-UHFFFAOYSA-N,3,1,0.333,76,272,405.874,4.334,5,0.415,0.73,0.894,0.1241775752175999,0.26934411623603594,0.3702881913508327,0.442515934480159,0.3015814543211569
EOS-3-52698,Cn1c(O)cnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)[nH]1,DZEPIDXQGWYONR-UHFFFAOYSA-N,3,1,0.291,39,449,453.441,3.489,6,0.419,0.5,0.312,0.36483962716743196,0.3445188815022959,0.33660304297169485,0.37640497566993353,0.35559163182783904
EOS-3-52699,CCn1nc(-c2cc(Cl)cc(Cl)c2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC)cc3)n12,MZNIPAOWSOOELS-UHFFFAOYSA-N,3,1,0.349,61,316,493.358,4.403,5,0.389,0.77,1.0,0.19611404290315948,0.2641011582482352,0.2453224590500994,0.34396203138921255,0.26237492289767667
EOS-3-52700,Fc1cc(Cl)ccc1Cc1cncc2nnc(-c3ccc(Cl)cc3-c3ccccc3)n12,PHYCMHOFTHFZPM-UHFFFAOYSA-N,3,1,0.374,83,480,449.316,6.495,5,0.315,0.82,1.0,0.5355441710643547,0.7853728325680214,0.9768864368446303,0.992135563018299,0.8224847508738263
EOS-3-52701,Cc1n[nH]c(-c2cccc(-c3nnc4cncc(OCc5sncc5C)n34)c2)n1,PVTBIQLXQAITST-UHFFFAOYSA-N,3,1,0.477,16,256,404.459,3.229,5,0.479,0.69,0.999,0.3765420464670002,0.3539510657254472,0.09451031457747927,0.07448941128092659,0.2248732095127133
EOS-3-52702,Clc1cnc2c(c1)CC(Oc1cncc3nnc(-c4cncc(-c5ccnc(Cl)c5)c4)n13)C2,VHTHEECYJKCUFT-UHFFFAOYSA-N,3,1,0.422,2,419,476.327,4.496,6,0.353,0.46,1.0,0.6127664313617983,0.695274484271126,0.733106024261531,0.8286872044410938,0.7174585360838872
EOS-3-52703,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(OC(F)F)c4)n23)cn1,VBGDHWUMGMUOJW-UHFFFAOYSA-N,3,1,0.438,66,225,401.804,4.34,4,0.497,0.85,1.0,0.7732677678020697,0.7596035227194846,0.9523764649441436,0.9404598725241587,0.8564269069974643
EOS-3-52704,CCC1CCCCN1C(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cn4)n23)cc1,VELAYVPUCRSXBS-UHFFFAOYSA-N,3,1,0.337,52,821,490.571,4.715,6,0.351,0.72,1.0,0.05669590843670756,0.019738194777602632,0.017013912685902268,0.07257898704680968,0.04150675073675554
EOS-3-52705,Cc1ncc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)cn1,BOMZDYCEUVXRLA-UHFFFAOYSA-N,3,1,0.325,50,489,402.809,2.457,5,0.419,0.75,0.973,0.24829518196148312,0.295284764580906,0.10990507847303133,0.15069220752518675,0.2010443081351518
EOS-3-52706,COc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccnc(-c6ccccn6)c5)c4)n23)c1,UJGCRBLOZIMYBZ-UHFFFAOYSA-N,3,1,0.5,28,942,487.523,4.898,6,0.314,0.72,1.0,0.5839986978274279,0.42482523473373995,0.6588650538002878,0.5351843602220547,0.5507183366458777
EOS-3-52707,Cn1nnnc1-c1cc(COc2cncc3nnc(-c4ccccc4F)n23)cnn1,PWFXDDYNJUDVSL-UHFFFAOYSA-N,3,1,0.5,36,728,404.369,1.49,5,0.429,0.68,1.0,0.5023130697005003,0.5095435542457679,0.08256802138304434,0.13193064217668427,0.3065888218764993
EOS-3-52708,Cn1nncc1-c1cccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)c1,WAJHBPNGLVBXBC-UHFFFAOYSA-N,3,1,0.488,13,374,403.833,4.033,5,0.45,0.74,1.0,0.37873517922006716,0.49620485230621614,0.6058272222602974,0.6633712562538551,0.536034627510109
EOS-3-52709,Fc1cc(-c2cccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)c2)ccn1,LVHHOOLLXCXWBD-UHFFFAOYSA-N,3,1,0.512,57,962,467.838,5.503,5,0.252,0.71,1.0,0.9465081214447262,0.9523850318689603,0.9832430950585977,0.9858645740524982,0.9670002056061956
EOS-3-52710,CCn1nc(C(F)F)nc1-c1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,HHIRPUUKMQQPLW-UHFFFAOYSA-N,3,1,0.34,68,542,402.34,2.245,4,0.547,0.63,0.816,0.23181241861421426,0.305188129668974,0.14462682475498595,0.15070077445000343,0.20808203687204443
EOS-3-52711,Cc1nn(C)cc1COc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,IPABYJCVWJOTDT-UHFFFAOYSA-N,3,1,0.482,24,99,404.459,2.931,5,0.444,0.68,1.0,0.18786409430470838,0.1856195600027414,0.12403193749571653,0.0817284627510109,0.1448110136385443
EOS-3-52712,Cn1nc(C(F)(F)F)cc1-c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)cc1,CMKDXGIRADLFEF-UHFFFAOYSA-N,3,1,0.346,66,476,490.371,4.686,5,0.341,0.75,1.0,0.2615824823521349,0.40184874237543694,0.9894112809265986,0.954792337742444,0.6519087108491536
EOS-3-52713,Cn1cc(-c2cccc(-c3nnc4cncc(Oc5ncccc5Cl)n34)c2)cn1,AWERQNPROOKLDU-UHFFFAOYSA-N,3,1,0.437,13,412,403.833,4.033,5,0.45,0.78,1.0,0.4872267150983483,0.48209512713316427,0.6147196902199986,0.6046621204852306,0.5471759132341855
EOS-3-52714,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5c(Cl)cccc5Cl)n4)n23)nc1,XQEJZJGZXUHPHH-UHFFFAOYSA-N,3,1,0.444,34,671,481.318,5.582,5,0.326,0.71,1.0,0.7137790418751285,0.7596120896443013,0.8435422520731958,0.8827445000342677,0.7999194709067234
EOS-3-52715,Cc1cnc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,WBHTZJDKGFCGIJ-UHFFFAOYSA-N,3,1,0.347,63,5,400.446,1.962,5,0.527,0.79,1.0,0.07530326913851004,0.019746761702419298,0.009800561990267973,0.011342608457268179,0.029048300322116374
EOS-3-52716,CNC(=O)c1ccc(-c2ccc(-c3nnc4cncc(Cl)n34)c(Cl)n2)nc1,YYLJNABXAFLAJK-UHFFFAOYSA-N,3,1,0.522,68,861,400.229,2.915,4,0.531,0.82,1.0,0.2427609485299157,0.27444143650195324,0.35159516140086355,0.3983191693509698,0.31677917894592555
EOS-3-52718,CCn1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cc2)n1,PNNROOYVRZLQOD-UHFFFAOYSA-N,3,1,0.329,50,856,402.849,3.785,5,0.454,0.77,1.0,0.1681173326022891,0.23876019464053183,0.27029504489068606,0.3312315811116442,0.2521010383112878
EOS-3-52719,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cc1,OZOCCTHKIYNQDU-UHFFFAOYSA-N,3,1,0.595,4,320,402.393,2.7,5,0.446,0.77,1.0,0.5330683297923378,0.4690734014118292,0.3891525597971352,0.36004214927009803,0.43783411006785006
EOS-3-52720,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc5noC5CC4)n23)ccn1,GLPJZLBCHRILHV-UHFFFAOYSA-N,3,1,0.398,63,548,414.429,2.441,6,0.494,0.54,0.092,0.3987646494414365,0.23333733123158112,0.04178945925570557,0.04169522308272223,0.17889666575286137
EOS-3-52721,Fc1nc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)cs1,LWGPZSQNLNDSRQ-UHFFFAOYSA-N,3,1,0.537,75,420,406.406,2.818,5,0.439,0.64,1.0,0.5330768967171544,0.5234305393735864,0.1857823315742581,0.16641251456377218,0.3521755705571928
EOS-3-52722,O=C(NCc1cc(F)ccn1)c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1,FBIINAWATHOLRB-UHFFFAOYSA-N,3,1,0.386,62,423,493.466,2.498,6,0.356,0.75,1.0,0.1269189911589336,0.19434068946610925,0.22363957233911316,0.1991981358371599,0.18602434720032895
EOS-3-52723,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)ncn5)nnc4Cl)n23)nc1,UUSMIHAAAJLWAS-UHFFFAOYSA-N,3,1,0.371,46,915,486.71,3.973,5,0.34,0.55,1.0,0.6351518059077513,0.7238109108354465,0.5065879651840175,0.6603642656432047,0.6314787368926049
EOS-3-52724,CC(C)(c1ccccc1)c1ncc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cn1,NKTVAZMBGAFHCQ-UHFFFAOYSA-N,3,1,0.33,52,341,493.546,4.606,6,0.371,0.85,0.908,0.18489137139332465,0.24402885340278255,0.44729627852785964,0.4013775615105202,0.31939851620862175
EOS-3-52725,Cc1cc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)n(C)n1,DRCADUVJRVHMDH-UHFFFAOYSA-N,3,1,0.432,92,662,404.459,2.931,5,0.444,0.73,1.0,0.2318209855390309,0.1856281269275581,0.09681481735316291,0.06366938523747516,0.14448332876430675
EOS-3-52726,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)c2)c(F)c1,MBWDOHZJKPFZLY-UHFFFAOYSA-N,3,1,0.467,59,89,485.281,5.412,5,0.31,0.77,1.0,0.8670413268453157,0.8968970598314029,0.9504660407100267,0.9645671989582619,0.9197429065862519
EOS-3-52727,Cc1ncc(-c2nnc3cncc(-c4ncnnc4-c4cccc(Cl)c4)n23)cn1,LQZXXOSRGGTVLK-UHFFFAOYSA-N,3,1,0.358,50,844,401.821,3.062,5,0.454,0.82,0.997,0.23747515591803167,0.2847817147556713,0.24188712219861558,0.36982557741073263,0.2834923925707628
EOS-3-52728,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cc(C)no5)n4)n23)cc1Cl,BLDQNUMCTSAFPH-UHFFFAOYSA-N,3,1,0.479,4,788,493.886,3.881,5,0.378,0.77,1.0,0.5048403125214174,0.5511188403810569,0.4787625933794805,0.40758858200260434,0.4855775820711398
EOS-3-52729,Cc1cc(-c2nnc3cncc(-c4ccc(F)cc4OC(F)F)n23)ccc1Cl,FWUMCJVYIIXPRL-UHFFFAOYSA-N,3,1,0.409,23,861,404.779,5.161,4,0.471,0.82,0.998,0.7046038653964772,0.9143050510588719,0.992443972311699,0.9950311836063327,0.9015960180933452
EOS-3-52730,Fc1nc(-c2nnc3cncc(OCc4ccnc(-c5ncccn5)c4)n23)ccc1-c1cnsc1,PAXNSAORPFLDCO-UHFFFAOYSA-N,3,1,0.389,80,414,483.492,3.88,6,0.325,0.54,1.0,0.6381502295935851,0.5095521211705846,0.3702967582756494,0.3408094030566788,0.4647021280241245
EOS-3-52731,Cc1nn(C)c(C)c1-c1nc(Cc2cncc3nnc(-c4ccc(Cl)cc4F)n23)ccc1Cl,ISCQRPFHRDMNRB-UHFFFAOYSA-N,3,1,0.358,14,81,482.35,5.24,5,0.35,0.62,1.0,0.2745699403742033,0.4559231718182441,0.5440768281817558,0.6661298060448222,0.48517493660475636
EOS-3-52732,NC(=O)c1ccc(-c2nnc3cncc(OCc4c(F)cc(F)cc4F)n23)cn1,BXUAEJTXDQNKED-UHFFFAOYSA-N,3,1,0.506,90,555,400.32,2.281,4,0.551,0.78,1.0,0.7200928654650127,0.5650229593585087,0.7380491398807484,0.6978959632650263,0.680265231992324
EOS-3-52733,FCc1cc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)cn5)ncn4)n23)ccc1Cl,QUOFZWXGZCFTIA-UHFFFAOYSA-N,3,1,0.457,24,633,482.306,4.999,5,0.337,0.58,1.0,0.886942293194435,0.9290572955931738,0.8266140086354602,0.8549705297786306,0.8743960318004249
EOS-3-52734,OCc1cc(-c2nnc3cncc(OCc4cncs4)n23)cc(-c2cc(F)cnc2F)c1Cl,WSGZCZOWNNPGQO-UHFFFAOYSA-N,3,1,0.448,16,89,486.891,4.313,5,0.357,0.64,1.0,0.8422657802755124,0.7935799465423892,0.90014392433692,0.8882615996162018,0.8560628126927559
EOS-3-52735,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cc5F)n34)cc2F)c1,GSQZEYBVWBPBSD-UHFFFAOYSA-N,3,1,0.346,62,341,487.535,5.666,6,0.347,0.85,1.0,0.26159104927695154,0.3002450140497567,0.7172657802755124,0.7717257213350696,0.5127068912343226
EOS-3-52736,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4c(-c5cccnc5F)nn5ccccc45)n23)cc1,OTODAPIRDISYRJ-UHFFFAOYSA-N,3,1,0.299,9,787,488.49,4.103,7,0.344,0.61,0.999,0.129951682544034,0.24898053594681652,0.3664587759577822,0.42688129668974023,0.29306807278459324
EOS-3-52737,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)ncn2)c(F)n1,JWZKVQMLJZIKJO-UHFFFAOYSA-N,3,1,0.398,46,488,468.374,3.482,5,0.219,0.6,0.077,0.8068843807826742,0.6905284079226921,0.8420858748543623,0.79951682544034,0.7847538722500171
EOS-3-52738,Cc1cnc(-c2nnc3cncc(-c4ncc(F)c(-c5cccnc5F)n4)n23)cn1,HAGFQKMPJDLACM-UHFFFAOYSA-N,3,1,0.28,50,261,403.356,2.687,5,0.423,0.71,0.909,0.28835412240422176,0.3002535809745734,0.23825474607634844,0.28758309917072167,0.2786113871564663
EOS-3-52739,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5)c(F)cn4)n23)cc1C(F)(F)F,LFLDFXWMLBOMTF-UHFFFAOYSA-N,3,1,0.473,27,51,483.429,4.632,5,0.339,0.57,1.0,0.5330854636419711,0.6905369748475088,0.9793365773421973,0.9370159687478583,0.7849937461448839
EOS-3-52740,O=C(NC1CCS(=O)(=O)CC1)c1ccc(COc2cncc3nnc(-c4ccccc4F)n23)nc1,SEEJTORFEGSMAA-UHFFFAOYSA-N,3,1,0.495,63,536,496.524,2.211,5,0.43,0.81,1.0,0.2510622986772668,0.21819100815571243,0.008112877801384415,0.0670104859159756,0.13609416763758483
EOS-3-52741,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)s5)n34)cc2)no1,GZPVYYNMZHYFGO-UHFFFAOYSA-N,3,1,0.324,32,126,427.514,5.903,6,0.35,0.66,1.0,0.11618463436364883,0.16854567884312247,0.6292663285587006,0.6546758275649373,0.39216811733260226
EOS-3-52742,Cn1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(F)nc5)n34)c2)n1,XOAROYQWVQQUGS-UHFFFAOYSA-N,3,1,0.524,36,258,403.381,2.095,5,0.411,0.77,1.0,0.5510760057569735,0.4867298334589816,0.25592831197313415,0.2520046604071003,0.38643470289904736
EOS-3-52743,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4)n23)cc1Cl,XBGQZJMUQRJIOO-UHFFFAOYSA-N,3,1,0.316,64,885,479.906,5.77,6,0.319,0.72,1.0,0.29394832430950585,0.39680282365841957,0.8230501679117264,0.8827530669590844,0.599138595709684
EOS-3-52744,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cc1)N1CCOCC1,MZCGUFONPPIISY-UHFFFAOYSA-N,3,1,0.523,0,751,498.543,2.403,6,0.426,0.89,1.0,0.07138818449729285,0.0028870536632170517,0.0010194640531834692,0.0033239668288671097,0.01965466726064012
EOS-3-52745,Fc1cncc(COc2cncc3nnc(-c4cccc(-c5cn[nH]c5)c4)n23)c1F,VMBZHFCQIGKUAJ-UHFFFAOYSA-N,3,1,0.467,16,772,405.368,3.434,5,0.482,0.59,1.0,0.7618908916455349,0.5795867315468439,0.8637002261668152,0.8445360153519292,0.7624284661777808
EOS-3-52746,c1ccc(-c2ccsc2-c2cncc3nnc(-c4cccnc4-c4ccco4)n23)cc1,WEGSQXLKLFTULG-UHFFFAOYSA-N,3,1,0.333,32,371,421.485,5.842,6,0.358,0.69,1.0,0.13791892262353506,0.13073127270235077,0.5476064012062231,0.6283753683777671,0.361157991227469
EOS-3-52747,Fc1cccc(CCOc2cncc3nnc(-c4ncc(-c5ccc(F)nc5F)c(F)n4)n23)c1,PBFHASBHROGMEN-UHFFFAOYSA-N,3,1,0.545,88,384,467.386,3.821,5,0.213,0.59,1.0,0.8976338153656364,0.8213881844972929,0.8121530395449249,0.822698923994243,0.8384684908505242
EOS-3-52748,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)n(C(F)F)n1,HPDIURKCAIDXSS-UHFFFAOYSA-N,3,1,0.299,70,191,488.487,4.334,6,0.352,0.63,1.0,0.18218422315125762,0.2693526831608526,0.2744328695771366,0.25800150777876774,0.2459928209170036
EOS-3-52749,Cc1cc(-c2nnc3cncc(OCc4nc(-c5ccccc5Cl)cs4)n23)ccc1Cl,WPXKVQIOTRCNDM-UHFFFAOYSA-N,3,1,0.529,57,461,468.369,6.109,5,0.312,0.85,1.0,0.7078164622027278,0.8428997327119457,0.810037009115208,0.8771502981289836,0.8094758755397163
EOS-3-52750,Cc1nc(OCCN)cc(-c2cccc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)n2)n1,CWOMEYFGFFWKAM-UHFFFAOYSA-N,3,1,0.42,7,434,490.915,2.312,5,0.319,0.65,1.0,0.4009149475704201,0.284790281680488,0.09682338427797958,0.06885237475155918,0.21284524707011168
EOS-3-52751,Cn1cnc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ncn4)n23)n1,ZWBQZQHQXJSDTI-UHFFFAOYSA-N,3,1,0.427,44,488,403.381,2.095,5,0.439,0.7,0.999,0.329920841614694,0.36862620793639916,0.16951374134740593,0.19920670276197655,0.2668168734151189
EOS-3-52752,Cc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)c(F)c2)nc1,RHMAOBFDJXDNOX-UHFFFAOYSA-N,3,1,0.391,41,120,481.516,5.612,6,0.316,0.78,1.0,0.716888835583579,0.6905455417723254,0.6262593379480502,0.545181961483106,0.6447189191967652
EOS-3-52753,FC(F)c1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cn1,XYYWWEHPAKESJM-UHFFFAOYSA-N,3,1,0.316,69,30,466.451,6.113,6,0.305,0.74,1.0,0.2939568912343225,0.4064063463779042,0.9420276197656089,0.9277722568706737,0.6425407785621273
EOS-3-52754,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCc4csc(Cl)n4)n23)c(Cl)n1,NKRKHKNNJALOMZ-UHFFFAOYSA-N,3,1,0.506,24,338,474.308,4.73,5,0.34,0.54,1.0,0.677660886848057,0.7935885134672058,0.5407185936536221,0.6518487423754369,0.6659541840860805
EOS-3-52755,Fc1ccc(Cl)c(COc2cncc3nnc(-c4cc(Cl)nc(-c5ncccc5F)c4)n23)c1,URJMTSZXMOSDBB-UHFFFAOYSA-N,3,1,0.494,59,146,485.281,5.412,5,0.31,0.75,1.0,0.8959718319512028,0.9062350078815709,0.9398516208621753,0.9615345075731615,0.9258982420670276
EOS-3-52756,O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)cc1,OMOSHGVSIVPMCJ-UHFFFAOYSA-N,3,1,0.527,14,358,495.305,4.265,5,0.388,0.8,1.0,0.30683297923377423,0.3732951819614831,0.647462476869303,0.6924559660064423,0.5050116510177507
EOS-3-52757,Clc1cccc(-c2ccc(-c3nnc4cncc(-c5scnc5-c5ccccc5)n34)nc2)c1,ZWRHSWKXMHHLRZ-UHFFFAOYSA-N,3,1,0.333,30,737,466.957,6.297,6,0.305,0.83,1.0,0.10800322116373107,0.2952933315057227,0.6886265506133918,0.8148259200877254,0.4766872558426427
EOS-3-52758,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5nc(C)no5)c4)n23)cc1F,IEQPOILKCNOIPS-UHFFFAOYSA-N,3,1,0.458,89,788,494.874,3.276,5,0.353,0.8,1.0,0.6806421766842574,0.49621341923103285,0.34388492906586254,0.284944486327188,0.4514212528270852
EOS-3-52759,N#Cc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(F)c1,MQAADZLBMSHSHV-UHFFFAOYSA-N,3,1,0.337,63,108,399.389,2.756,5,0.565,0.86,1.0,0.19612260982797616,0.2538893838667672,0.4140223425399219,0.5319546295661709,0.34899724145020905
EOS-3-52760,Cc1nc(-c2nnc3cncc(OCCC4CC4)n23)ccc1-c1cnc(CO)cn1,ABHGVSRDRGBYET-UHFFFAOYSA-N,3,1,0.466,78,878,403.446,2.623,5,0.501,0.7,0.926,0.36953430196696596,0.23876876156534851,0.019601123980535946,0.05921458433280789,0.17177969296141457
EOS-3-52761,Fc1cnc(F)c(-c2ccc(-c3cncc4nnc(-c5cc(OC(F)F)ccc5F)n34)cc2)c1,YDEHXCZGFNYGNU-UHFFFAOYSA-N,3,1,0.405,96,558,469.373,5.539,5,0.25,0.75,1.0,0.747267150983483,0.9218696456719896,0.9931807278459325,0.9946799396888493,0.9142493660475637
EOS-3-52762,Fc1cccc(-c2cnc(-c3cncc4nnc(-c5ncccc5-c5cccc(F)c5)n34)s2)c1,RZJRBHGLTQSEIT-UHFFFAOYSA-N,3,1,0.354,30,737,468.492,5.922,6,0.321,0.68,0.965,0.14044616544445207,0.3394301281611953,0.7688729353711192,0.8566839147419643,0.5263582859296827
EOS-3-52763,FC(F)c1nnc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)ccn2)s1,CZEXGBBTSWYOPO-UHFFFAOYSA-N,3,1,0.479,75,819,487.883,3.707,5,0.338,0.6,0.62,0.6127749982866151,0.7468216708930162,0.22034130628469606,0.2460335138098828,0.4564928723185525
EOS-3-52764,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nc(CF)n2)s1,BXVUWLBHNCFTDI-UHFFFAOYSA-N,3,1,0.427,18,578,482.932,4.153,5,0.318,0.56,1.0,0.5458673154684395,0.5370947844561716,0.17296621204852305,0.2113032006031115,0.3668078781440614
EOS-3-52765,Cc1cc(-c2nnc3cncc(Cc4cc(-c5cccc(C#N)n5)cnn4)n23)ccn1,CQMOLIYPCKNOAL-UHFFFAOYSA-N,3,1,0.32,85,81,405.425,2.809,5,0.448,0.59,1.0,0.21531252141731205,0.11400006853539853,0.3516037283256802,0.32460934822835996,0.25138141662668767
EOS-3-52766,Cc1ccc(-c2nnc3cncc(OCc4ncc(F)c(-n5nccn5)n4)n23)cn1,JDYPDQOHOWRUGX-UHFFFAOYSA-N,3,1,0.447,51,185,404.369,1.584,5,0.43,0.69,1.0,0.30684154615859094,0.35894558289356454,0.04179802618052224,0.03921081488588856,0.18669899252964156
EOS-3-52767,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4OC(F)F)n23)cn1,BDRRVAWTYUTOKH-UHFFFAOYSA-N,3,1,0.489,97,959,483.385,4.102,5,0.252,0.7,1.0,0.8869508601192516,0.8839610033582346,0.907699952025221,0.860222054691248,0.8847084675484889
EOS-3-52768,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(OC)s5)ccn4)n23)cc1F,JQMYATIMKWRNTI-UHFFFAOYSA-N,3,1,0.49,89,788,492.496,2.791,5,0.364,0.68,0.984,0.4946285381399493,0.38741347405935167,0.18256973476800767,0.09270269344116236,0.28932861010211774
EOS-3-52769,Fc1cc(Cl)cc(-c2ccnc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)c1,SABTVACPADTXBR-UHFFFAOYSA-N,3,1,0.524,13,236,470.266,6.231,5,0.312,0.76,1.0,0.827933315057227,0.8463522034130628,0.982000890960181,0.9919556575971489,0.9120605167569049
EOS-3-52770,FC(F)c1cnc(COc2cncc3nnc(-c4cn[nH]c4-c4ccc(C(F)(F)F)nc4)n23)cn1,BVKZOQZSHCHUAR-UHFFFAOYSA-N,3,1,0.457,27,127,489.368,3.902,5,0.357,0.63,1.0,0.4998886299773833,0.5095606880954012,0.9459084367075594,0.8549790967034473,0.7025842128709479
EOS-3-52771,Cn1ccnc1-c1cncc(-c2nnc3cncc(Oc4ccccc4Cl)n23)c1,KEQDZAFPOPUFDA-UHFFFAOYSA-N,3,1,0.447,2,995,403.833,4.033,5,0.45,0.75,1.0,0.4209101500925228,0.4821036940579809,0.567541635254609,0.6046706874100473,0.51880654170379
EOS-3-52772,Clc1cnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c(Oc2ccccc2)c1,DCWBKCFZPAKREX-UHFFFAOYSA-N,3,1,0.344,30,93,477.915,5.756,6,0.312,0.72,1.0,0.45122849701871015,0.5606452607771915,0.6416541018436023,0.6952402165718594,0.5871920190528408
EOS-3-52773,Fc1ccc(-n2nnc(-c3cncc4nnc(-c5nccnc5-c5ccc(Cl)c(F)c5)n34)n2)cn1,XPXIECFLTGPMJC-UHFFFAOYSA-N,3,1,0.264,39,527,489.837,3.218,6,0.343,0.6,0.951,0.05839215955040779,0.23334589815639778,0.3292440545541772,0.5116938523747515,0.28316899115893357
EOS-3-52774,Cn1nncc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc6ccccc6n5)n4F)n23)nc1,FFASGAZVHZGBBN-UHFFFAOYSA-N,3,1,0.228,70,387,489.478,3.793,7,0.367,0.58,0.214,0.09814269069974642,0.1943492563909259,0.31079089849907476,0.3634946199712151,0.24169436639024056
EOS-3-52775,Cn1nc(-c2cccc(F)c2)nc1-c1cncc2nnc(-c3ccc(CO)nc3)n12,FWAIPHCZPDFREJ-UHFFFAOYSA-N,3,1,0.4,22,336,402.393,2.28,5,0.491,0.73,0.999,0.2181995750805291,0.33445274484271126,0.21664039476389554,0.2818004249194709,0.2627732849016517
EOS-3-52776,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5Cl)n34)c2)cs1,WPSOZTHKODPTLD-UHFFFAOYSA-N,3,1,0.488,13,145,454.342,6.322,5,0.318,0.84,1.0,0.6410372832568021,0.6661041052703721,0.8593567952847646,0.889598039887602,0.7640240559248852
EOS-3-52777,Fc1cc(-c2cnccn2)ncc1Cc1cncc2nnc(-c3ccc(Cl)c(C(F)(F)F)c3)n12,SFRODTFTGTWSNP-UHFFFAOYSA-N,3,1,0.373,85,315,485.832,5.045,5,0.331,0.65,1.0,0.5381142485093551,0.7190734014118292,0.9878692344595984,0.9803560413953807,0.8063532314440409
EOS-3-52778,Cc1nc(COc2cncc3nnc(-c4cccc(-c5ncon5)c4)n23)ccc1F,WPEVNSMBKMUCPM-UHFFFAOYSA-N,3,1,0.556,4,921,403.377,3.263,5,0.44,0.77,1.0,0.5586834349941745,0.46468713590569527,0.4326811047906244,0.3667243506270989,0.4556940065793983
EOS-3-52779,Fc1cc(-c2ncccn2)cc(-c2nnc3cncc(OCCCc4ccnc(F)c4Cl)n23)c1,LFZDZYILDWPHBF-UHFFFAOYSA-N,3,1,0.473,35,325,479.878,4.587,5,0.249,0.66,1.0,0.9072287711603043,0.8760622986772668,0.722611541361113,0.7694040847097526,0.8188266739771092
EOS-3-52780,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,MJZBHGVKPPEMNQ-UHFFFAOYSA-N,3,1,0.521,13,412,403.833,4.033,5,0.45,0.76,1.0,0.7322236310054143,0.8096943321225413,0.5639520937564252,0.5741724350627099,0.6700106229867726
EOS-3-52781,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(Cl)c6)s5)n34)cc2)n1C,AARQGVSDFZRAQJ-UHFFFAOYSA-N,3,1,0.375,3,641,484.976,5.339,6,0.335,0.69,1.0,0.10801178808854774,0.28479884860530463,0.3742632444657666,0.4551692824343774,0.3055607908984991
EOS-3-52782,Cc1cnnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(Br)c5)n34)c2)n1,ZOESFKAGSPVMDR-UHFFFAOYSA-N,3,1,0.554,15,438,489.337,3.731,5,0.333,0.6,1.0,0.7875573983962717,0.7378606675347817,0.30366321705160715,0.27593208142005343,0.5262533411006785
EOS-3-52783,CCn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ccc(-c5ncccn5)nc4)n23)c1,SDMPVBJQRWAQKE-UHFFFAOYSA-N,3,1,0.495,28,414,489.543,4.148,6,0.314,0.66,1.0,0.45581180179562747,0.22354533616612982,0.2890994448632719,0.2197930230964293,0.2970624014803646
EOS-3-52784,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4Cl)n23)nn1C,ONINWGWQIQYDGC-UHFFFAOYSA-N,3,1,0.394,31,569,484.351,3.732,5,0.325,0.54,0.994,0.2912411760674388,0.2132221917620451,0.22364813926392982,0.2875916660955383,0.25392579329723797
EOS-3-52785,Fc1ccccc1-c1nnc2cncc(OCc3cncc(-c4cscn4)c3)n12,UAPJAVBRRRJBLR-UHFFFAOYSA-N,3,1,0.536,97,666,404.43,4.028,5,0.44,0.76,1.0,0.7231512576245631,0.6756048248920568,0.6641508464121719,0.6573058734836543,0.6800532006031115
EOS-3-52786,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cnc(C)cn1,JDCFYVCNNMYFTA-UHFFFAOYSA-N,3,1,0.429,31,690,477.981,4.851,5,0.331,0.54,0.16,0.5484887944623398,0.6037368926050305,0.19582276745939278,0.20226509492152697,0.3875783873620725
EOS-3-52787,C#Cc1ncc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5F)ncn4)n23)c(F)c1F,WNKHROUBBFWNOO-UHFFFAOYSA-N,3,1,0.412,44,488,477.381,3.76,5,0.281,0.5,0.853,0.8147231169899253,0.7554913988074841,0.9264101158248236,0.9119919813583716,0.8521541532451511
EOS-3-52788,Clc1cc(COc2cncc3nnc(-c4cc(-c5ncc[nH]5)ccn4)n23)ccn1,GQBHDJHHFMTYJR-UHFFFAOYSA-N,3,1,0.398,46,565,404.821,3.204,5,0.448,0.66,1.0,0.5613391816873415,0.5187958330477692,0.47877116030429717,0.49190425604824894,0.5127026077719142
EOS-3-52789,Cc1nn(C)cc1-c1cncc2nnc(-c3nccnc3-c3cnnc(Cl)c3)n12,UJEGRNSHMKMBRM-UHFFFAOYSA-N,3,1,0.282,50,206,404.825,2.401,5,0.45,0.61,0.492,0.04545610307723939,0.0787471729148105,0.0781903228017271,0.12330374888629977,0.08142433692001919
EOS-3-52790,N#CCc1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)c4)n23)cn1,UXCWSAIYQVJELG-UHFFFAOYSA-N,3,1,0.36,96,204,407.412,4.12,5,0.416,0.6,1.0,0.37421184291686654,0.460232335001028,0.8484082653690631,0.8517664998971969,0.6336547357960387
EOS-3-52791,O=C(Nc1ccccc1F)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5)nn4)n23)c(F)c1,DZOJVGLFGAUCPY-UHFFFAOYSA-N,3,1,0.364,30,298,494.465,4.57,6,0.377,0.84,1.0,0.04546467000205606,0.22355390309094647,0.6886351175382085,0.6867675279281749,0.41110530463984646
EOS-3-52792,Fc1cc(COc2nccc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)n2)cnc1Cl,LPYDMYGATQHXQN-UHFFFAOYSA-N,3,1,0.295,50,315,484.829,4.347,5,0.328,0.6,0.969,0.5074360907408677,0.6086286066753478,0.865148036460832,0.8307261325474607,0.7029847166061272
EOS-3-52793,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5sncc5Cl)n34)c(Cl)c2)cs1,WNVJMYRQFQBKAA-UHFFFAOYSA-N,3,1,0.488,16,772,475.386,5.566,5,0.331,0.71,1.0,0.5586920019189912,0.6661126721951888,0.509954766636968,0.6227725995476664,0.5893830100747036
EOS-3-52794,COc1cc(F)ncc1-c1nnc2cncc(-c3cc(-c4cccs4)ncn3)n12,UUDMWDDWDWPHCV-UHFFFAOYSA-N,3,1,0.366,50,155,405.418,3.52,5,0.423,0.68,1.0,0.36724693304091566,0.3921424165581523,0.42545062024535674,0.38268453156055104,0.391881125351244
EOS-3-52795,Fc1cnc(-c2ccc(Cl)c(F)c2COc2cncc3nnc(-c4cccc(Cl)c4)n23)nc1,MVBABRJNMXNPJY-UHFFFAOYSA-N,3,1,0.56,59,293,485.281,5.412,5,0.331,0.71,1.0,0.9456771297375094,0.9512798985676102,0.9352254814611747,0.957936399150161,0.9475297272291139
EOS-3-52796,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(F)c(Cl)c5)cnn4)n23)ccc1Cl,UYLXEWXQORUVLM-UHFFFAOYSA-N,3,1,0.595,59,13,485.281,5.412,5,0.331,0.71,1.0,0.8794719347543006,0.8839695702830512,0.9723373997669796,0.9833116304571311,0.9297726338153656
EOS-3-52797,Cc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,TUFAKLXYJAGWTN-UHFFFAOYSA-N,3,1,0.294,63,108,400.446,2.585,6,0.552,0.78,1.0,0.036606469741621545,0.024355767253786582,0.004437667055033925,0.012567678706051676,0.01949189568912343
EOS-3-52798,Fc1cc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cnccn5)c4)n23)cnc1Cl,RHOCUYNBOSAENV-UHFFFAOYSA-N,3,1,0.495,65,324,483.294,4.106,5,0.333,0.5,0.997,0.82530326913851,0.8813823589884175,0.6886436844630252,0.7385203207456651,0.7834624083339045
EOS-3-52799,Clc1ccnc(COc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)c(Cl)c4)n23)c1,BPZWXFLARSZXHK-UHFFFAOYSA-N,3,1,0.588,34,71,489.326,4.782,6,0.344,0.7,1.0,0.5536289493523405,0.7282571448152971,0.6474710437941197,0.7717342882598862,0.6752728565554109
EOS-3-52800,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)nc2F)cs1,UXAWFXJSYLGPEX-UHFFFAOYSA-N,3,1,0.441,58,954,472.958,5.094,5,0.32,0.58,0.966,0.729319443492564,0.7596206565691179,0.40369919813583716,0.4425245014049757,0.5837909499006237
EOS-3-52801,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)cn(C)c2=O)cn1,IODNIWZRIFRITC-UHFFFAOYSA-N,3,1,0.615,84,360,491.914,3.669,5,0.357,0.68,1.0,0.4558203687204441,0.3344613117675279,0.6087057089986978,0.6046792543348639,0.5009166609553835
EOS-3-52802,Cc1nc(-c2cnc(-c3nnc4cncc(OCCc5ncc(F)cc5Cl)n34)c(F)c2)cs1,ASWHUDWLYLZDKL-UHFFFAOYSA-N,3,1,0.392,87,814,485.907,4.566,5,0.348,0.6,0.858,0.6714412994311562,0.6709444177917895,0.48921424165581523,0.5582722226029745,0.5974680453704339
EOS-3-52803,COc1nc(Cl)cc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccnn6C)cn5)n34)n2)n1,VRHIYTVDVDAQBC-UHFFFAOYSA-N,3,1,0.276,99,286,487.875,1.681,6,0.326,0.59,0.774,0.06019978068672469,0.18563669385237475,0.017022479610718937,0.01583167706120211,0.06967265780275511
EOS-3-52804,Cn1cncc1-c1nc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)n2)cs1,PMYIWPQDNQAUPA-UHFFFAOYSA-N,3,1,0.444,76,272,486.586,4.393,6,0.33,0.65,0.971,0.4345144267013913,0.19899252964155986,0.12143615927626619,0.11166986498526489,0.21665324515112055
EOS-3-52805,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(Cl)c5)n34)cc(Cl)n2)nc1,VRDJNQSFFAFSGN-UHFFFAOYSA-N,3,1,0.537,73,665,486.269,4.807,5,0.33,0.61,0.994,0.864839627167432,0.8705023644712494,0.8680436570488658,0.9096103762593379,0.8782490062367212
EOS-3-52806,CCc1cc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)c(Cl)cn1,RNWDJHSINIFUOX-UHFFFAOYSA-N,3,1,0.456,97,91,478.89,5.321,5,0.307,0.66,1.0,0.8068929477074909,0.9181516003015557,0.912394626824755,0.9051470084298541,0.885646545815914
EOS-3-52807,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cccnc5F)c(F)c4Cl)n23)c1F,ISUAKIGONFGTCL-UHFFFAOYSA-N,3,1,0.441,59,606,482.853,5.206,5,0.32,0.66,1.0,0.9266499897196903,0.9037763004591872,0.9579449660749777,0.9502604345144267,0.9346579226920705
EOS-3-52808,CC(C)Oc1cccc(-c2nnc3cncc(OCc4cccc([N+](=O)[O-])c4)n23)c1,NUCRCMCCXPLHAX-UHFFFAOYSA-N,3,1,0.542,48,576,405.414,4.066,4,0.337,0.88,1.0,0.7411075320402988,0.25389795079158384,0.6147282571448153,0.269935234048386,0.469917243506271
EOS-3-52809,CC(F)(F)c1cnc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)cn1,BWUBDEIOPUNOBN-UHFFFAOYSA-N,3,1,0.29,68,455,403.343,3.616,4,0.474,0.69,1.0,0.23182955246384757,0.290127475841272,0.9378126927558084,0.8602306216160647,0.5800000856692482
EOS-3-52810,COc1ncnc(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccc5C)cn4)n23)nn1,TZNSPNBXALTRSF-UHFFFAOYSA-N,3,1,0.308,70,813,488.515,3.788,6,0.353,0.56,0.693,0.18219279007607428,0.06033685148379138,0.1354602152011514,0.09271126036597903,0.11767527928174902
EOS-3-52811,Fc1ccnc(CCOc2cncc3nnc(-c4cc(F)c(Cl)c(-c5ccc(F)nc5)c4)n23)c1,GPIDSVDRFZRGQA-UHFFFAOYSA-N,3,1,0.516,88,490,482.853,4.941,5,0.319,0.6,1.0,0.9535929682681105,0.9759526420396134,0.946927900760743,0.9541155506819272,0.9576472654375985
EOS-3-52812,Cc1cc(-c2nnc3cncc(Oc4ccc(Cl)c(C)c4)n23)cc(-c2cc(F)ccc2F)n1,YSUJGNVQNCHZTE-UHFFFAOYSA-N,3,1,0.5,57,236,463.875,6.194,5,0.318,0.72,1.0,0.832679391405661,0.8291412514563772,0.9610547597834281,0.9609348228359947,0.8959525563703653
EOS-3-52813,Fc1ccc(-c2nnc3cncc(OCCc4ccnnc4)n23)cc1-c1nnco1,YAGIPOLTECCUIT-UHFFFAOYSA-N,3,1,0.58,72,202,404.365,2.392,5,0.42,0.69,1.0,0.914690562675622,0.8019241313138236,0.37427181139058324,0.3635031868960318,0.6135974230690151
EOS-3-52814,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCC5CCOC5)n34)nc2C)n1,KRBUXHGWVYTUPT-UHFFFAOYSA-N,3,1,0.404,78,548,404.434,2.07,5,0.493,0.62,1.0,0.28291412514563774,0.10804605578781441,0.007675964635734357,0.015840243986018777,0.10361909738880132
EOS-3-52815,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccnn4-c4ccccc4)n23)cc1,DTUZBWLZXYVGES-UHFFFAOYSA-N,3,1,0.511,1,121,404.38,4.245,5,0.438,0.76,0.999,0.19613117675279282,0.3686347748612158,0.8748971969022,0.8714618600507162,0.5777812521417311
EOS-3-52816,Cn1cncc1-c1nc(-c2nnc3cncc(OCc4ncncn4)n23)ccc1F,NQCARHYFQSILIJ-UHFFFAOYSA-N,3,1,0.351,31,395,404.369,1.49,5,0.429,0.64,0.975,0.4558289356452608,0.38287300390651774,0.10191213761908026,0.09660064423274621,0.25930368035090123
EOS-3-52817,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4c(F)cc(F)c(F)c4F)n23)c1,KINBVBMRSQUSQC-UHFFFAOYSA-N,3,1,0.478,59,630,469.402,4.205,5,0.211,0.64,1.0,0.4625625385511617,0.5007967240079501,0.8435508189980124,0.8266397094099103,0.6583874477417586
EOS-3-52818,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(C6CC6)nc5)n34)cc2)n1,ZGQQVOIPTNVDPD-UHFFFAOYSA-N,3,1,0.301,82,204,405.465,4.496,6,0.438,0.73,1.0,0.18787266122952506,0.14162840106915223,0.3219536015351929,0.3952008087177027,0.2616638681378932
EOS-3-52819,Cc1cc(-c2nnc3cncc(-c4ccc(F)c(-c5cnc(F)cn5)n4)n23)ccn1,RQWAAGYWVYBPKO-UHFFFAOYSA-N,3,1,0.346,50,155,402.368,3.292,5,0.457,0.76,0.977,0.3068501130834076,0.35395963265026387,0.5238588856144198,0.5284593242409704,0.42828198889726543
EOS-3-52820,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)c(F)c2)cs1,AUPIVYVRXMUIFS-UHFFFAOYSA-N,3,1,0.528,88,684,484.919,5.171,5,0.309,0.72,1.0,0.9040076074292372,0.9236686998834899,0.8100455760400247,0.8059848536769242,0.860926684257419
EOS-3-52821,Cc1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)n4)n23)c(OC2CCCC2)c1,FXWWQQXVRMUDLP-UHFFFAOYSA-N,3,1,0.323,52,821,466.52,5.684,6,0.31,0.67,0.757,0.4163097114659722,0.47805153861969707,0.3292526214789939,0.5016105818655335,0.4313061133575492
EOS-3-52822,Fc1cccc(-c2cc(Cl)ccc2-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)c1,QUWGVPZXTZMFKS-UHFFFAOYSA-N,3,1,0.4,83,533,449.316,6.495,5,0.315,0.81,1.0,0.5381228154341717,0.7895106572544719,0.9793451442670139,0.9939431841546159,0.8252304502775684
EOS-3-52823,Cc1cc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)ccc1Cl,XWVSRKSZGYQKIT-UHFFFAOYSA-N,3,1,0.411,83,472,414.871,6.226,5,0.351,0.88,1.0,0.38563155369748475,0.733106024261531,0.9766294291001302,0.9864042903159482,0.7704428243437735
EOS-3-52824,CCOc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(C)n6C)cn5)n34)cc2)c1,MHXWSTUUUPBVEB-UHFFFAOYSA-N,3,1,0.333,93,74,488.555,5.023,6,0.325,0.75,1.0,0.22078678637516277,0.14920156260708656,0.36646734288259886,0.33124014803646085,0.26692395997532725
EOS-3-52825,O=C(O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,GIDLEEFFGJYCIX-UHFFFAOYSA-N,3,1,0.667,90,400,400.847,3.826,4,0.529,0.84,1.0,0.7472757179082996,0.4292629017887739,0.5065965321088343,0.4331951202796244,0.5290825680213831
EOS-3-52826,CCn1nc(C)cc1-c1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)s1,SNPHXXIPCZCFRY-UHFFFAOYSA-N,3,1,0.315,66,476,468.508,5.712,5,0.32,0.67,0.999,0.2642467959701186,0.39215098348296895,0.7665941333698856,0.7436262079363991,0.541654530189843
EOS-3-52827,Cc1nsc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)n4)n23)n1,ILKNKIRZLANGBM-UHFFFAOYSA-N,3,1,0.372,53,237,411.382,2.114,5,0.396,0.51,0.98,0.38336988554588447,0.4018573093002536,0.022488177643752997,0.02401309026111987,0.20793211568775272
EOS-3-52828,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ccsc6)c5)n34)cc2)nc1,VMHAEAFQGAVTQB-UHFFFAOYSA-N,3,1,0.53,12,427,461.55,6.161,6,0.297,0.77,1.0,0.6744825577410732,0.532391542731821,0.8211997121513261,0.8038945240216572,0.7079920841614694
EOS-3-52829,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cccnn5)o4)n23)cc1F,FZOOLPLJSNYGIT-UHFFFAOYSA-N,3,1,0.523,4,677,403.377,3.263,5,0.44,0.74,1.0,0.7618994585703516,0.7054262901788774,0.4508686861764101,0.41091254883147144,0.5822767459392777
EOS-3-52830,Cc1ncc(CCc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,WCTWZHYITVVIKG-UHFFFAOYSA-N,3,1,0.424,63,334,399.458,2.567,5,0.535,0.85,1.0,0.20730244671372763,0.06034541840860805,0.04328867109862244,0.05208690288534028,0.0907558597765746
EOS-3-52831,Cn1nccc1-c1ccnc(-c2nnc3cncc(OCCc4nccs4)n23)c1,MULMTMQQJZWQOD-UHFFFAOYSA-N,3,1,0.541,18,367,404.459,2.665,5,0.429,0.73,1.0,0.32199643615927626,0.13073983962716743,0.07391542731820985,0.06211877184565828,0.14719261873757797
EOS-3-52832,Cc1nc(-c2ncc(Cl)cn2)c(-c2nnc3cncc(-c4cccc(-c5nnnn5C)n4)n23)s1,JWJQECGPHAGWAA-UHFFFAOYSA-N,3,1,0.259,99,601,488.928,2.919,6,0.364,0.55,1.0,0.08847063258172846,0.19435782331574258,0.00735042149270098,0.014735110684668632,0.07622849701871018
EOS-3-52833,Clc1ccccc1Oc1cncc2nnc(-c3ccc(-c4ccccc4)c(Cl)c3)n12,XVDUCUJPKYKBHS-UHFFFAOYSA-N,3,1,0.513,83,480,433.298,6.557,5,0.322,0.83,1.0,0.8538482626276471,0.8991501610581866,0.960540744294428,0.9807672537865808,0.9235766054417106
EOS-3-52834,Fc1ccc(-c2nnc3cncc(Oc4cnc(-c5cccnc5)cc4F)n23)nc1,PJLZJICHBZKJJI-UHFFFAOYSA-N,3,1,0.368,13,110,403.352,3.714,5,0.452,0.71,1.0,0.7560311150709341,0.6855595915290248,0.7331145911863477,0.7361215817969982,0.7277067198958262
EOS-3-52835,Cc1nnc(Oc2cncc3nnc(-c4cncc(-c5cn(C)nc5C)c4)n23)s1,HDVXQHMHKIMQOR-UHFFFAOYSA-N,3,1,0.337,92,36,405.447,2.847,5,0.449,0.64,1.0,0.18220135700089096,0.11695565759714893,0.04662120485230622,0.023319169350969775,0.09227434720032897
EOS-3-52836,c1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cocn6)cc5)n34)cc2)n[nH]1,JZVSXAXTXZGWJG-UHFFFAOYSA-N,3,1,0.31,69,898,405.421,4.503,6,0.464,0.68,1.0,0.1989325611678432,0.17714687135905696,0.6806593105338907,0.6748680693578233,0.43290170310465353
EOS-3-52837,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4cccc(-c5cc(Cl)ccn5)c4)n23)c1,VFZAIEFUULYMFZ-UHFFFAOYSA-N,3,1,0.602,57,732,480.33,5.921,5,0.302,0.76,1.0,0.9399972585840587,0.9380354328010417,0.945197381947776,0.9650983482968953,0.947082105407443
EOS-3-52838,Cn1cncc1-c1nnc2cncc(OCc3cncc(-c4ncc(F)cn4)c3)n12,NBNKMJCQJUUQDH-UHFFFAOYSA-N,3,1,0.413,7,346,403.381,2.095,5,0.439,0.7,1.0,0.4776231923788637,0.25898670413268454,0.24189568912343226,0.21131176752792818,0.29745433829072715
EOS-3-52839,Fc1nccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cc2Cl)n1,NPNWZFXECFJJMH-UHFFFAOYSA-N,3,1,0.523,73,469,486.269,4.807,5,0.33,0.66,1.0,0.8715646631485162,0.9062435748063875,0.9190168597080393,0.9326211363169077,0.9073615584949627
EOS-3-52840,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cn2)c1,QRKUNMQFCUKAHR-UHFFFAOYSA-N,3,1,0.329,50,261,405.874,4.334,5,0.444,0.68,0.999,0.22358817079021315,0.3874220409841683,0.32568021383044343,0.41092111575628815,0.33690288534027824
EOS-3-52841,Cc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc(-c2cccc(Cl)c2)n1,XOHWPYYVYGFYTC-UHFFFAOYSA-N,3,1,0.516,11,848,477.355,5.485,5,0.301,0.66,1.0,0.7732763347268864,0.8463607703378795,0.7251816188061133,0.7928089233088891,0.7844069117949419
EOS-3-52842,Cc1cc(F)cc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccccc5C)cn4)n23)n1,ZOWJQICGTDBDGW-UHFFFAOYSA-N,3,1,0.324,32,371,473.515,5.733,6,0.325,0.62,0.999,0.2235967377150298,0.33943869508601193,0.6859279692961414,0.6838633404153245,0.4832066856281269
EOS-3-52843,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4F)n23)cc1Cl,IAWRJORVQGIPBG-UHFFFAOYSA-N,3,1,0.43,13,451,491.914,4.445,5,0.39,0.71,1.0,0.704612432321294,0.5795952984716606,0.6351175382084847,0.5451905284079227,0.6161289493523404
EOS-3-52844,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5csnc5-c5ccc(F)nc5)n34)c2)cn1,LEXPXUFTXZBKND-UHFFFAOYSA-N,3,1,0.406,2,419,485.508,3.823,6,0.328,0.59,1.0,0.45349873209512714,0.49129600438626553,0.4580649030224111,0.407597148927421,0.4526141971078062
EOS-3-52845,Cn1ncnc1CCOc1cncc2nnc(-c3cccc(-c4csnn4)c3)n12,ZQIXDJSWKYOPKY-UHFFFAOYSA-N,3,1,0.512,36,931,405.447,2.06,5,0.422,0.65,1.0,0.29913988074840653,0.23877732849016517,0.026531766157220204,0.03155198409978754,0.14900023987389485
EOS-3-52846,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(F)n4)n23)c1,JTOLHSHXSTZRRM-UHFFFAOYSA-N,3,1,0.44,59,223,453.359,3.779,5,0.227,0.55,0.993,0.8253118360633267,0.7895192241792885,0.9371187718456583,0.9277808237954903,0.8699326639709409
EOS-3-52847,CCn1ncc(-c2cncc3nnc(-c4sc(C)nc4-c4ccc(F)cn4)n23)n1,CHDATUPJGCZGHY-UHFFFAOYSA-N,3,1,0.271,50,974,407.438,3.036,5,0.451,0.54,0.732,0.09579535329997944,0.12403193749571653,0.017031046535535603,0.030515386196970737,0.06684343088205058
EOS-3-52848,Fc1cc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,HWHSCVXIDIGZRH-UHFFFAOYSA-N,3,1,0.547,57,80,481.865,5.546,5,0.298,0.73,1.0,0.9567027619765609,0.9660921115756288,0.965338222191762,0.9743249263244466,0.9656145055170996
EOS-3-52849,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cc(Br)c(F)cn4)n23)cc1,JLRFPXZNDQOZDW-UHFFFAOYSA-N,3,1,0.584,63,536,497.328,3.602,5,0.42,0.83,1.0,0.6097080392022479,0.3394472620108286,0.3146888492906586,0.36673291755191556,0.40764426701391265
EOS-3-52850,Cc1cc(C(F)F)cc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(C#N)nc5)n34)c2)n1,YTBPADQXVNWSBV-UHFFFAOYSA-N,3,1,0.538,97,214,487.445,5.084,5,0.329,0.7,0.999,0.842274347200329,0.7975892673565896,0.9620485230621616,0.9288945240216572,0.8827016654101844
EOS-3-52851,COc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccn4)n23)ccc1-c1ccccc1,NLCLWKOCUCKUMY-UHFFFAOYSA-N,3,1,0.511,41,285,487.523,4.898,6,0.314,0.7,1.0,0.44159927352477557,0.26936125008566925,0.7122112946336783,0.6141542731820986,0.5093315228565554
EOS-3-52852,FC(F)n1nc(C(F)(F)F)cc1CCc1cncc2nnc(-c3ccc(Br)cc3)n12,UHRSORNVNSVRPH-UHFFFAOYSA-N,3,1,0.449,66,225,487.23,4.949,4,0.374,0.65,1.0,0.37422040984168325,0.5989908162565966,0.9716006442327462,0.9428586114728257,0.721917620450963
EOS-3-52853,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccc4Cl)n23)cc1Cl,LBSXXCDUKGHBAJ-UHFFFAOYSA-N,3,1,0.575,59,13,483.746,5.788,5,0.315,0.78,1.0,0.9201648276334727,0.965184017545062,0.9653467891165787,0.9794051127407306,0.9575251867589609
EOS-3-52854,COc1ccc(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)s2)c1F,TXXVZRTWPGFBSZ-UHFFFAOYSA-N,3,1,0.36,96,140,471.439,5.806,5,0.303,0.67,0.766,0.5023216366253169,0.6952830511959427,0.9686707559454458,0.9444863271879926,0.7776904427386745
EOS-3-52855,CC1(c2nc(-c3ccc(Cl)c(F)c3)cc(-c3nnc4cncc(Cl)n34)n2)CCCCC1,MZEVSKJLKTYQBL-UHFFFAOYSA-N,3,1,0.427,78,830,457.34,5.916,5,0.382,0.67,0.988,0.33237098211226096,0.42927146871359056,0.033539510657254475,0.42688986361455694,0.3055179562744157
EOS-3-52856,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)cc5Cl)n34)c(F)n2)cs1,BIQZQPXFAIVCHY-UHFFFAOYSA-N,3,1,0.457,58,24,485.907,4.566,5,0.325,0.63,1.0,0.7619080254951682,0.8394900966349119,0.4858817079021315,0.5419522308272222,0.6573080152148585
EOS-3-52857,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4cnco4)ccn3)n12,KJLALPXAUBHXDG-UHFFFAOYSA-N,3,1,0.483,18,840,403.377,2.997,5,0.426,0.75,1.0,0.6469313275306696,0.42483380165855666,0.4892228085806319,0.4614916729490782,0.5056199026797341
EOS-3-52858,Clc1ccc(-n2nnc(-c3cncc4nnc(-c5cc(-c6cccnn6)ccc5Cl)n34)n2)nc1,BGBXYHSIWKZIFJ-UHFFFAOYSA-N,3,1,0.292,10,952,488.302,3.593,6,0.366,0.53,1.0,0.04547323692687273,0.26410972517305187,0.24533102597491604,0.4615002398738949,0.2541035569871839
EOS-3-52859,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc6ncnc-6cncn5C)n34)cn2)cn1,DJLYCCLZWKQQRU-UHFFFAOYSA-N,3,1,0.4,78,548,477.492,2.512,6,0.428,0.5,0.701,0.3987732163662532,0.2953018984305394,0.029898567610170654,0.003195462956617093,0.18179228634089506
EOS-3-52860,Cc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(Cl)cc4OC4CCCCO4)n23)n1,PAQQDLZGVOTHPK-UHFFFAOYSA-N,3,1,0.439,90,548,483.931,4.814,5,0.373,0.55,1.0,0.7350764169693647,0.6806850113083408,0.33661160989651157,0.482823315742581,0.5587990884791996
EOS-3-52861,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccncn5)cn4)n23)cc1,CUBYAXMFELCWTM-UHFFFAOYSA-N,3,1,0.487,13,412,401.817,4.089,5,0.448,0.85,1.0,0.840081214447262,0.9143136179836886,0.6778493591940237,0.692464532931259,0.7811771811390583
EOS-3-52862,N#CCCn1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cn1,XCSQXTLXUOGGHT-UHFFFAOYSA-N,3,1,0.262,63,108,399.418,1.856,5,0.524,0.89,1.0,0.043965458159139194,0.03518436022205469,0.024330066479336578,0.04405969433212254,0.03688489479816325
EOS-3-52863,Cc1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)c(F)c5)n34)cnc2F)ccn1,UTXKGGGQBBXXAW-UHFFFAOYSA-N,3,1,0.458,27,343,481.413,4.747,5,0.324,0.55,1.0,0.8069015146323076,0.8394986635597286,0.9172263724213556,0.8699883489822493,0.8584037248989103
EOS-3-52864,Fc1cc(F)cc(-n2cnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5F)n34)n2)c1,HGUXCRZFOQPEQQ-UHFFFAOYSA-N,3,1,0.279,39,144,489.396,4.052,6,0.345,0.58,0.621,0.0636865190871085,0.2035329997943938,0.7278630662737304,0.8307346994722774,0.45645432115687756
EOS-3-52865,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ncc7ccccc7n6)cc5)n34)cc2)nc1,NPUMGFSKAUDTSZ-UHFFFAOYSA-N,3,1,0.288,21,695,477.531,6.131,7,0.303,0.8,1.0,0.22651805907751354,0.20354156671921048,0.7278716331985471,0.7490405044205332,0.4767429408539511
EOS-3-52866,Fc1ncncc1OCc1cncc2nnc(-c3ccc(-c4cnsc4)cn3)n12,ZFQBICXGOCJXKQ-UHFFFAOYSA-N,3,1,0.344,85,767,406.406,2.818,5,0.411,0.6,1.0,0.42326605441710646,0.41134089507230487,0.35161229525049686,0.3216880268658762,0.3769768179014461
EOS-3-52867,O=C1CN(C(=O)c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)CCN1,MVBRTSLRRPQKNI-UHFFFAOYSA-N,3,1,0.557,0,378,497.342,3.249,5,0.454,0.77,1.0,0.5432458364745391,0.3445274484271126,0.1154992803783154,0.33764820779932836,0.33523019326982384
EOS-3-52868,Cn1nccc1-c1ccc(-c2nnc3cncc(COc4ccncc4F)n23)cn1,KUTVDYPEHZXKHU-UHFFFAOYSA-N,3,1,0.384,85,767,402.393,2.7,5,0.446,0.74,1.0,0.46981015694606265,0.4292800356384072,0.44008292783222536,0.3667414844767322,0.4264786512233569
EOS-3-52869,N#Cc1cccc(-c2cncc(-c3nnc4cncc(OCc5nncc(-c6cncs6)n5)n34)c2)c1,TYOGLNXHOOXNFD-UHFFFAOYSA-N,3,1,0.366,6,518,490.512,3.612,6,0.34,0.7,1.0,0.4416078404495922,0.527928174902337,0.3516208621753136,0.38574292372010144,0.4267249503118361
EOS-3-52870,CCn1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc(-c2ccc(C)nn2)c1=O,MYBWRHXFJDBEKC-UHFFFAOYSA-N,3,1,0.413,58,954,488.939,3.408,5,0.32,0.65,0.996,0.2588582002604345,0.2083476115413611,0.16952230827222262,0.1855167569049414,0.2055612192447399
EOS-3-52871,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnn(C)c5)c4)n23)cc1,YURQVCQFSYDHFS-UHFFFAOYSA-N,3,1,0.329,74,450,399.418,1.737,5,0.493,0.89,1.0,0.019232746213419232,0.010580152148584744,0.20637721883352753,0.1070351586594476,0.08580631896374477
EOS-3-52872,Cn1nnc(-c2cc(COc3cncc4nnc(-c5cccnc5)n34)ccc2F)n1,DNLRKUZFBHOTJM-UHFFFAOYSA-N,3,1,0.53,36,258,403.381,2.095,5,0.439,0.71,1.0,0.5484973613871564,0.5008052909327668,0.2526643136179837,0.2672195188815023,0.39229662120485237
EOS-3-52873,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccccc5)sn4)n23)c(F)c1,MMRJPBHOXWETJM-UHFFFAOYSA-N,3,1,0.435,13,616,407.405,4.985,5,0.42,0.78,1.0,0.5613477486121582,0.5848810910835447,0.8100541429648414,0.8566924816667809,0.7032438660818313
EOS-3-52874,Cc1ncc(-c2cccc(-c3nnc4cncc(COCc5cccnc5-c5cccnc5)n34)c2)cn1,NPPFXZSUDZXPSM-UHFFFAOYSA-N,3,1,0.4,41,78,486.539,4.731,6,0.319,0.65,0.999,0.2721455006510863,0.17282914125145638,0.5305924885203207,0.46150880679871154,0.3592689843053937
EOS-3-52875,Cn1ccnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cn1,KBHFXDRGPQPVCR-UHFFFAOYSA-N,3,1,0.556,89,229,496.531,2.638,6,0.353,0.9,1.0,0.23183811938866425,0.0008566924816667809,0.012533411006785004,0.01872729764923583,0.06598888013158796
EOS-3-52876,Fc1cnccc1COc1cncc2nnc(-c3cccc(-c4cnsc4)c3)n12,QQPIEYNOIACHIF-UHFFFAOYSA-N,3,1,0.519,97,91,404.43,4.028,5,0.44,0.73,1.0,0.6923959975327256,0.555522239736824,0.7504626139401,0.7332859296826811,0.6829166952230827
EOS-3-52877,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cncn5C)cc4Cl)n23)cn1,WQCDRDKUESUQEE-UHFFFAOYSA-N,3,1,0.321,50,478,402.849,3.611,5,0.458,0.77,1.0,0.20446679459941058,0.23878589541498182,0.5407271605784387,0.5515043519978069,0.3838710506476595
EOS-3-52878,Fc1cc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc2F)ccn1,MSFOBWFPAZDQIW-UHFFFAOYSA-N,3,1,0.647,1,996,482.397,4.707,5,0.245,0.72,1.0,0.9400058255088753,0.9759612089644302,0.9562572818860942,0.937024535672675,0.9523122130080186
EOS-3-52879,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(Cl)nc4-c4ccccc4)n23)s1,DCZBKYUUKXGDMX-UHFFFAOYSA-N,3,1,0.325,30,750,469.961,5.636,6,0.312,0.63,0.999,0.2559026111986841,0.3103796861078747,0.4473048454526763,0.5515129189226236,0.39127501542046467
EOS-3-52880,Fc1ccc(Cl)cc1-c1nnc2cncc(-c3cccc(-c4cncnc4)n3)n12,YVBWOIIMQOBJMY-UHFFFAOYSA-N,3,1,0.351,45,140,403.808,4.103,5,0.451,0.74,1.0,0.2912497429922555,0.4780601055445137,0.7869491467342883,0.8533856486875471,0.6024111609896512
EOS-3-52881,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)cn4)n23)cnn1,MTBXQHYZOVSFGH-UHFFFAOYSA-N,3,1,0.394,53,105,404.369,1.49,5,0.429,0.63,0.998,0.5147950791583853,0.37330374888629975,0.09683195120279624,0.11867760948529915,0.27590209718319514
EOS-3-52882,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)s1,TZDASPDADZMDKV-UHFFFAOYSA-N,3,1,0.582,97,655,406.496,4.259,5,0.434,0.7,1.0,0.42091871701733946,0.37807552600918376,0.26303029264615174,0.2315811116441642,0.3234014118292098
EOS-3-52883,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc(C(F)F)n2)o1,KTZBANRGIVQLTM-UHFFFAOYSA-N,3,1,0.467,27,69,486.389,4.394,5,0.309,0.66,0.983,0.6924045644575423,0.7004403399355768,0.702033787951477,0.5216229182372696,0.6541254026454664
EOS-3-52884,Cc1ccc(-c2nnc3cncc(OCc4csc(-c5nncn5C)c4)n23)cn1,QJKWRAASRNQKMS-UHFFFAOYSA-N,3,1,0.542,92,185,404.459,2.931,5,0.444,0.71,1.0,0.3695428688917826,0.2901360427660887,0.1240405044205332,0.0927198272907957,0.21910981084230002
EOS-3-52885,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccnn6C6CCOCC6)cc5)n34)cn2)nc1,BAAFEQJDMPSLPW-UHFFFAOYSA-N,3,1,0.277,9,150,489.543,4.254,7,0.357,0.7,1.0,0.007615996162017682,0.018170447536152424,0.07392399424302652,0.16362826399835514,0.06583467548488794
EOS-3-52886,CC(C)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)c5cc(F)ccc5F)cc4)n23)cn1,RNCMXHGPZOMHCO-UHFFFAOYSA-N,3,1,0.422,14,358,488.473,4.886,5,0.317,0.76,0.999,0.4922812007401823,0.6368480570214515,0.8248320882735933,0.7146528682064286,0.667153553560414
EOS-3-52887,Cc1ccc(-c2nnc3cncc(CCCc4ccc(-c5ccccc5C(F)F)nc4)n23)cc1,YNVLYUDBZBLHKO-UHFFFAOYSA-N,3,1,0.529,62,886,455.512,6.275,5,0.29,0.83,1.0,0.5097748612158179,0.6563463779041875,0.8813480912891508,0.865045233363032,0.7281286409430471
EOS-3-52888,Fc1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1ccnnc1,SOTVOGVDAWDJQX-UHFFFAOYSA-N,3,1,0.55,16,202,405.418,3.423,5,0.442,0.64,1.0,0.7231598245493798,0.7282657117401138,0.580254951682544,0.5867315468439449,0.6546030087039956
EOS-3-52889,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cnn(C6CCOCC6)c5)c4)n23)cc1,IAZUHHOMMLXQBO-UHFFFAOYSA-N,3,1,0.299,52,295,495.547,3.084,7,0.385,0.81,1.0,0.00762456308683435,0.0056541703790007536,0.014880748406551984,0.04954252621478994,0.019425502021794258
EOS-3-52890,CCc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cnc(C)nc1C,QCBOLXHPMSACFB-UHFFFAOYSA-N,3,1,0.417,31,690,486.967,4.492,5,0.331,0.61,0.98,0.5782845589747104,0.5989993831814132,0.19239599753272565,0.1745253923651566,0.3860513330135015
EOS-3-52891,Cc1cccc(C)c1-c1nc(Cc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccc1F,MYMRNJUAHDZKTR-UHFFFAOYSA-N,3,1,0.521,14,319,475.474,5.801,5,0.311,0.66,0.993,0.8199746419025427,0.8946096909053526,0.9358165992735248,0.907237338085121,0.8894095675416354
EOS-3-52892,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cnn(C)c5)n34)n(C)n2)o1,LORRSOODJSGCGS-UHFFFAOYSA-N,3,1,0.427,31,569,405.422,1.843,5,0.42,0.65,1.0,0.08609759440751148,0.010588719073401412,0.03485025015420465,0.016405661023918855,0.0369855561647591
EOS-3-52893,COc1cc(F)cc(F)c1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,DZFUSYYSBHPZSW-UHFFFAOYSA-N,3,1,0.5,90,555,403.776,3.706,4,0.473,0.69,1.0,0.9214241655815228,0.9304108697142074,0.9180573641285724,0.8965800836131862,0.9166181207593722
EOS-3-52894,COc1ccccc1-c1ncccc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,AKAHXLRHSRVXBO-UHFFFAOYSA-N,3,1,0.447,28,942,487.523,4.898,6,0.314,0.71,1.0,0.465106915221712,0.2083561784661778,0.5339507230484545,0.4332036872044411,0.41015437598519633
EOS-3-52895,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nnc(C(F)(F)F)s4)nn3)n12,GJVUATYSNWIAIL-UHFFFAOYSA-N,3,1,0.451,53,411,489.418,3.274,5,0.331,0.61,0.997,0.6682886710986224,0.6319991775752176,0.5029298882873003,0.4172606401206223,0.5551195942704407
EOS-3-52896,O=C(O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,DJLHSBRUNGTOSW-UHFFFAOYSA-N,3,1,0.396,0,862,399.41,3.049,5,0.534,0.88,1.0,0.21265677472414501,0.013741347405935165,0.25967205811801797,0.21980159002124597,0.17646794256733603
EOS-3-52897,Cc1cc(COc2cncc3nnc(-c4cnnc(-c5ncc(F)[nH]5)c4)n23)n(C)n1,CEPQQCJXRGBDGI-UHFFFAOYSA-N,3,1,0.396,92,662,406.385,1.731,5,0.468,0.57,0.998,0.3095829620999246,0.3539681995750805,0.0968405181276129,0.07833596052361044,0.20968191008155712
EOS-3-52898,Fc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)c1,IIJZBTIKIXLZPF-UHFFFAOYSA-N,3,1,0.489,87,838,404.365,2.392,5,0.42,0.68,1.0,0.6182235624700158,0.5008138578575835,0.2819631964909876,0.28495305325200465,0.4214884175176479
EOS-3-52899,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccsc5-c5cncs5)n34)cc2)cc1,PWGFHFPGKMEALC-UHFFFAOYSA-N,3,1,0.391,93,987,437.553,6.31,6,0.324,0.76,1.0,0.17073881159618942,0.16855424576793915,0.6832465218285244,0.7490490713453499,0.44289716263450074
EOS-3-52900,Fc1ccc(F)c(-c2ccc(-c3cncc4nnc(-c5cc(F)ccc5-c5cncnc5)n34)nc2)c1,DVKXQJVMDAMVPP-UHFFFAOYSA-N,3,1,0.333,32,192,481.441,5.395,6,0.336,0.6,0.993,0.3220050030840929,0.5555308066616408,0.9486669864985265,0.9585103831128778,0.6961782948392845
EOS-3-52901,CC1(O)CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cn5)n34)cn2)CC1,YRHVBKXGQPOQGV-UHFFFAOYSA-N,3,1,0.295,52,376,491.555,3.902,6,0.406,0.65,0.998,0.02334487012541978,0.0051487218148173535,0.020534918785552737,0.11167843191008156,0.04017673565896786
EOS-3-52902,Clc1cc(-c2noc(COc3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)n2)ccn1,LMYVSIFCQSJTQU-UHFFFAOYSA-N,3,1,0.421,6,297,488.92,4.592,6,0.31,0.76,1.0,0.4030309780001371,0.4559317387430608,0.20638578575834418,0.26722808580631896,0.33314414707696527
EOS-3-52903,Clc1ccccc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)c1,GILDZLDYMFAHHQ-UHFFFAOYSA-N,3,1,0.378,21,107,449.901,6.434,6,0.31,0.81,1.0,0.3742289767664999,0.4734253992186965,0.92469673086149,0.9460026728805428,0.6795884449318073
EOS-3-52904,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5)n34)nc2)cn1,AWEJQQDNLNNKAQ-UHFFFAOYSA-N,3,1,0.355,74,121,403.396,4.191,5,0.45,0.76,1.0,0.1791086971420739,0.2387944623397985,0.902414159413337,0.8633061476252485,0.5459058666301145
EOS-3-52905,Clc1ccc(-c2nnc3cncc(OCc4cnc(C5=CCCC5)nn4)n23)cn1,KKMSAHJHRLGEOS-UHFFFAOYSA-N,3,1,0.413,78,986,406.837,3.171,5,0.465,0.62,1.0,0.5536375162771572,0.6613665958467548,0.010340278253718046,0.04680111027345624,0.31803637516277156
EOS-3-52906,Cc1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)c(F)c5)ccc4OC(F)F)n23)cc1,PZXWNKHTWQEYJT-UHFFFAOYSA-N,3,1,0.386,96,3,465.41,5.708,5,0.246,0.78,0.999,0.6209992461106162,0.8731838119388664,0.9884346514974984,0.9833201973819478,0.8664844767322322
EOS-3-52907,FC(F)(CCc1ccncc1)c1ccc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1,UZUAORDFOUBLAR-UHFFFAOYSA-N,3,1,0.379,85,81,477.906,4.945,5,0.309,0.55,0.867,0.36484819409224867,0.5371033513809883,0.9358251661983414,0.9151874443149887,0.6882410389966418
EOS-3-52908,COc1cc(-c2nnc3cncc(OCCCCc4cccc(F)n4)n23)ccc1-c1nccs1,NDSYHAQSCUQOBH-UHFFFAOYSA-N,3,1,0.431,11,777,476.537,4.859,5,0.222,0.76,1.0,0.7046209992461107,0.705434857103694,0.27444143650195324,0.24330066479336576,0.4819494894112809
EOS-3-52909,Clc1ccc(-c2cn(-c3cncc4nnc(-c5ccc(-c6nnc7ccccn67)cc5)n34)nn2)cn1,LSYJVMOIKWHJCW-UHFFFAOYSA-N,3,1,0.5,3,465,491.906,3.797,7,0.341,0.67,1.0,0.012456308683434994,0.1307484065519841,0.3256887807552601,0.45517784935919403,0.2310178363374683
EOS-3-52910,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cc[nH]n5)cc4)n23)cc1,XBJPSLJECAPXOQ-UHFFFAOYSA-N,3,1,0.676,43,326,402.845,4.414,5,0.47,0.79,1.0,0.9683452128024125,0.9545952984716606,0.8339215955040779,0.8517750668220135,0.9021592934000411
EOS-3-52911,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cc(Cl)nc(Cl)n5)nc4)n23)nn1,GHYBSGBGACRUEQ-UHFFFAOYSA-N,3,1,0.435,55,617,486.71,3.973,5,0.268,0.67,1.0,0.5587005688438078,0.7004489068603934,0.4546467000205606,0.5677643752998424,0.570390137756151
EOS-3-52912,COc1c(F)ccc(COc2cncc3nnc(-c4cccc(-c5cc(=O)n(C)cn5)c4)n23)c1Cl,NBXDXEIZQWYEHT-UHFFFAOYSA-N,3,1,0.468,43,521,492.898,3.932,5,0.354,0.75,1.0,0.6097166061270646,0.6182578301692825,0.7930573641285724,0.7171372764032623,0.6845422692070454
EOS-3-52913,Fc1ccccc1OCCCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3Cl)n12,UVSMGFZLTVZNNT-UHFFFAOYSA-N,3,1,0.483,11,0,481.94,5.555,5,0.27,0.8,1.0,0.7472842848331163,0.8291498183811938,0.7688815022959359,0.7995253923651566,0.7862102494688505
EOS-3-52914,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)s1,XQXIEXJXZNZIRL-UHFFFAOYSA-N,3,1,0.321,32,750,467.533,5.604,6,0.33,0.57,0.99,0.24276951545473238,0.3539767664998972,0.5573726954972243,0.5958210540744294,0.43748500788157085
EOS-3-52915,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)nc4)n23)cn1,DBQSIBYWEHPLHY-UHFFFAOYSA-N,3,1,0.298,82,514,401.411,3.07,5,0.488,0.79,0.994,0.11044479473648139,0.13075697347680076,0.21333356178466178,0.15584949626482078,0.15259620656569117
EOS-3-52916,COc1cc(F)cc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccccc5F)n34)s2)c1,PDVKYRWSDITARC-UHFFFAOYSA-N,3,1,0.353,10,140,488.483,4.449,6,0.354,0.63,0.881,0.09580392022479611,0.4248423685833733,0.5407357275032554,0.6079346857651977,0.4173291755191556
EOS-3-52917,COc1nc(-c2cccnn2)ccc1COc1cncc2nnc(-c3cnc(-c4ccccn4)nc3)n12,CPPXZEUMPBXEBA-UHFFFAOYSA-N,3,1,0.402,6,297,490.487,3.083,6,0.326,0.63,0.999,0.4971814817353163,0.19436639024055924,0.13876704818038516,0.08696285381399493,0.22931944349256392
EOS-3-52918,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)c2)ccn1,SSLFPYCBPGBPNX-UHFFFAOYSA-N,3,1,0.489,88,503,466.398,4.426,5,0.209,0.65,1.0,0.7987800699061065,0.7554999657323007,0.9551607155095607,0.9475532862723597,0.8642485093550819
EOS-3-52919,Cc1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)c(Cl)c1,ULRHZDUEUCVXQC-UHFFFAOYSA-N,3,1,0.568,90,281,401.804,4.048,4,0.505,0.76,1.0,0.897642382290453,0.95038037146186,0.8861541361113014,0.8991330272085533,0.9083274792680419
EOS-3-52920,OCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)nc2F)s1,PIXYDECNMRXSDU-UHFFFAOYSA-N,3,1,0.385,31,237,485.892,2.401,5,0.342,0.54,0.372,0.5123792063600849,0.537111918305805,0.06738743060790899,0.11168699883489823,0.30714138852717426
EOS-3-52921,N#Cc1cc(F)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)c1,XHWJMBAGLHPPJA-UHFFFAOYSA-N,3,1,0.34,63,688,399.389,2.756,5,0.565,0.85,0.995,0.1933126584881091,0.2440374203275992,0.37030532520046605,0.49814954423959973,0.3264512370639435
EOS-3-52922,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cs2)nc1,STUPQNATVDAUIQ-UHFFFAOYSA-N,3,1,0.494,59,577,457.412,5.05,5,0.273,0.63,1.0,0.7678534713179357,0.6905541086971421,0.9662548831471455,0.9621598930847783,0.8467055890617504
EOS-3-52923,FC(F)(F)c1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)cc5)n34)c2)nc1,UZAWYARYELMTDM-UHFFFAOYSA-N,3,1,0.622,1,138,481.865,6.105,5,0.303,0.85,1.0,0.934882804468508,0.9163953807141388,0.994328695771366,0.9921441299431156,0.9594377527242821
EOS-3-52924,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)cn2)ccc1Cl,WEBHDSZTFPBRQV-UHFFFAOYSA-N,3,1,0.477,13,145,466.303,6.4,5,0.307,0.81,1.0,0.7960300870399561,0.8946182578301692,0.9686793228702625,0.9775803577547804,0.909227006373792
EOS-3-52925,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)c(Cl)c1F,DMOOXKJXLKNGDV-UHFFFAOYSA-N,3,1,0.27,39,144,488.849,3.823,6,0.344,0.58,0.954,0.040992735247755464,0.19437495716537592,0.40742581043108766,0.5897642382290453,0.3081394352683161
EOS-3-52926,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6Cl)cn5)n34)cn2)ccn1,MXYLEDRANLMDIS-UHFFFAOYSA-N,3,1,0.372,32,20,479.906,5.77,6,0.298,0.73,1.0,0.30685868000822425,0.47806867246933044,0.8861627030361181,0.9151960112398053,0.6465715166883695
EOS-3-52927,Clc1cc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cnc(Cl)nc6)nn5)n34)cn2)ccn1,PNTXPIHOSCHBTQ-UHFFFAOYSA-N,3,1,0.274,86,312,488.302,3.593,6,0.27,0.69,1.0,0.007050579124117606,0.14921012953190324,0.41403090946473853,0.52496401891577,0.27381390925913235
EOS-3-52928,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c2)cn1,BFMQVCWMOXWWGE-UHFFFAOYSA-N,3,1,0.554,2,36,402.393,2.7,5,0.446,0.76,1.0,0.3220135700089096,0.3589541498183812,0.5339592899732712,0.47086388869851276,0.4214477246247687
EOS-3-52929,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5cnc(Cl)c(F)c5)c4)n23)cnc1Cl,GPMFCROQWINYHQ-UHFFFAOYSA-N,3,1,0.488,59,89,486.269,4.807,5,0.33,0.61,1.0,0.8515865944760469,0.8675553423343156,0.9314131999177575,0.9378126927558084,0.8970919573709821
EOS-3-52930,N#Cc1cncc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)c(F)c2)n1,YSCASXCANGNLAZ-UHFFFAOYSA-N,3,1,0.3,64,27,489.449,4.522,6,0.355,0.64,1.0,0.31485162086217533,0.42485093550819,0.7641354259475018,0.814834487012542,0.5796681173326023
EOS-3-52931,CCOc1cc(-c2cnc(C)cn2)ccc1-c1cncc2nnc(-c3ccc(Cl)c(Cl)c3)n12,JFXIEDFNARFCTK-UHFFFAOYSA-N,3,1,0.383,96,46,477.355,5.929,5,0.312,0.73,1.0,0.5123877732849017,0.6563549448290041,0.8666900829278322,0.8584572681790145,0.7234725173051881
EOS-3-52932,CCn1cc(-c2nnc3cncc(-c4ccc(C(=O)C5CCCCC5)nn4)n23)cn1,YLKWRGUASQPLLB-UHFFFAOYSA-N,3,1,0.382,78,546,402.462,3.228,5,0.472,0.79,1.0,0.008147145500651086,0.006168185868000823,0.000676787060516757,0.0033325337536837777,0.0045811630457131105
EOS-3-52933,COc1ccc(-c2nnc3cncc(-c4nc(-c5cccc(F)c5)nn4C)n23)cn1,CAFOSBRHNDBFDL-UHFFFAOYSA-N,3,1,0.4,22,316,402.393,2.796,5,0.456,0.77,1.0,0.22360530463984649,0.43831814131999175,0.19583133438420944,0.20817627304502775,0.26648276334726884
EOS-3-52934,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)on4)n23)cn1,DKIIDAQXXGAFOU-UHFFFAOYSA-N,3,1,0.531,7,85,404.365,2.658,5,0.436,0.7,1.0,0.5432544033993557,0.5555393735864574,0.19929237201014324,0.1691025289562059,0.36679716948804053
EOS-3-52935,Fc1ccc(-c2nnc3cncc(-c4cccnc4-c4cncnc4)n23)c(Cl)n1,SJIAOSHITMWFLR-UHFFFAOYSA-N,3,1,0.299,82,478,404.796,3.498,5,0.425,0.64,0.999,0.32719655952299365,0.42928860256322393,0.5866801452950449,0.6778750599684737,0.5052600918374341
EOS-3-52936,NC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cncnc5)nn4)n23)cc1F,RPENKIJDLGPKMU-UHFFFAOYSA-N,3,1,0.33,50,997,402.353,1.067,5,0.47,0.68,1.0,0.015651771640052086,0.12753580974573367,0.20639435268316086,0.20227366184634363,0.13796389897882255
EOS-3-52937,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(=O)[nH]c(=O)[nH]4)n23)cc1,RPVKZTQPOUQVEE-UHFFFAOYSA-N,3,1,0.362,63,334,403.402,0.651,5,0.447,0.79,1.0,0.21820814200534577,0.1169642245219656,0.055727845932424094,0.07258755397162635,0.11587194160784045
EOS-3-52938,CCOc1cccc(C#Cc2ccc(F)c(COc3cncc4nnc(-c5ccccc5F)n34)c2)c1,VUELTTQNVITWAO-UHFFFAOYSA-N,3,1,0.522,79,397,482.49,5.447,5,0.301,0.71,1.0,0.9146991296004386,0.9335806318963745,0.9695017476526626,0.9502690014392434,0.9420126276471797
EOS-3-52939,O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,UEJKKIFODRGXLL-UHFFFAOYSA-N,3,1,0.398,0,546,485.979,4.6,8,0.453,0.49,1.0,0.28554417106435476,0.4340261119868412,0.09952196559522994,0.541960797752039,0.34026326159961623
EOS-3-52940,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)c(F)n5)c4)n23)ccc1Cl,OJZVLBHLNZXBHR-UHFFFAOYSA-N,3,1,0.662,59,13,485.281,5.412,5,0.31,0.76,1.0,0.9602751696251114,0.9492409704612432,0.9605493112192447,0.9685336851483791,0.9596497841134947
EOS-3-52941,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ccn2)no1,LXEUQVHVTYHSKI-UHFFFAOYSA-N,3,1,0.573,75,530,405.443,3.228,5,0.424,0.69,1.0,0.48241210335138096,0.33446987869234457,0.11250085669248167,0.09660921115756288,0.2564980124734425
EOS-3-52942,Fc1ccc(F)c(Oc2cncc3nnc(-c4cccc(-c5cncnn5)c4)n23)c1,NDRVOHCGWXJRIG-UHFFFAOYSA-N,3,1,0.494,13,145,403.352,3.714,5,0.452,0.7,1.0,0.7411160989651154,0.7054434240285107,0.8339301624288945,0.8367315468439449,0.7793053080666164
EOS-3-52943,Cc1ccc(NC(=O)c2ccc(-c3nnc4cncc(-c5cnn(-c6ccccc6)c5)n34)cc2)cc1F,ZOGQBEPQHTTXLD-UHFFFAOYSA-N,3,1,0.387,30,68,489.514,5.344,6,0.353,0.74,1.0,0.07341854567884312,0.1685628126927558,0.7757521759989034,0.6979045301898431,0.4289095161400863
EOS-3-52944,CCn1c(CO)nc(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(-c4ccccc4)s3)n12,SAWFYEUMVIMSDO-UHFFFAOYSA-N,3,1,0.282,30,93,478.581,5.563,6,0.339,0.69,0.923,0.12128195462956617,0.07875573983962716,0.2027105750119937,0.3186296347063258,0.1803444760468782
EOS-3-52945,Fc1cnc(F)c(-c2ccc(-c3nnc4cncc(Oc5ccccc5Cl)n34)cc2Cl)c1,XYFYWIKZGIKGEM-UHFFFAOYSA-N,3,1,0.46,57,236,470.266,6.231,5,0.292,0.79,1.0,0.9227434720032897,0.927403879103557,0.9809985607566308,0.9899509971900486,0.9552742272633815
EOS-3-52946,Cn1ccc(-c2cccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)n1,UALYXUFICURIRE-UHFFFAOYSA-N,3,1,0.628,13,15,402.845,4.638,5,0.438,0.86,1.0,0.3856401206223014,0.5848896580083613,0.7480638749914331,0.7764118292097869,0.6237513707079707
EOS-3-52947,FC(F)c1ccc(-c2nnc3cncc(-c4cccc(-c5nncn5Cc5cccs5)n4)n23)cn1,WWNGWFQXUUDIAP-UHFFFAOYSA-N,3,1,0.33,76,259,487.499,4.554,6,0.34,0.61,0.188,0.16812589952710574,0.25390651771640055,0.440091494757042,0.44577136591049277,0.3269738194777603
EOS-3-52948,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(C#N)ncc5Cl)n34)cc2Cl)n1,VQPIZESFKUXHNP-UHFFFAOYSA-N,3,1,0.483,16,772,490.314,4.104,5,0.358,0.61,1.0,0.7903159481872387,0.8731923788636831,0.6778579261188403,0.7146614351312452,0.7640069220752518
EOS-3-52949,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nc(C)cs5)ncn4)n23)cc1Cl,JRDDIVJILCDJBL-UHFFFAOYSA-N,3,1,0.464,89,463,492.952,3.605,5,0.381,0.68,1.0,0.49463710506476594,0.4962219861558495,0.20271914193681037,0.15313378109793707,0.3366780035638407
EOS-3-52950,Fc1c(CCOc2cncc3nnc(-c4cnnc(-c5ccnc(Cl)c5)c4)n23)ccnc1Cl,PLRLWAILVXWDFT-UHFFFAOYSA-N,3,1,0.484,37,778,483.294,4.106,5,0.333,0.49,0.999,0.7619165924199849,0.8429082996367624,0.7480724419162498,0.8016157220204235,0.7886282639983552
EOS-3-52951,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C5CCCC5)nc4)n23)cn1,OGDBZSOOESSJJS-UHFFFAOYSA-N,3,1,0.341,63,169,399.458,3.266,5,0.566,0.87,1.0,0.19894112809265985,0.03811424850935508,0.013578575834418478,0.032588582002604345,0.07080563360975943
EOS-3-52952,Cn1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(F)cc5)n34)n2)cn1,VXFRCBYLHKVCPB-UHFFFAOYSA-N,3,1,0.556,36,404,403.381,2.095,5,0.439,0.67,1.0,0.5810174079912275,0.6320077445000343,0.2382633130011651,0.26113700226166814,0.4281063669385238
EOS-3-52953,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)F)nn5)n34)c(Cl)n2)nc1,RPBAJFMVTQRKJW-UHFFFAOYSA-N,3,1,0.451,27,52,485.817,3.742,5,0.331,0.53,1.0,0.6653416489616887,0.8213967514221096,0.59967617024193,0.5928997327119457,0.6698285758344186
EOS-3-52954,Cc1nc(-c2cnco2)ccc1COc1cncc2nnc(-c3ccc(F)cn3)n12,FBZQYPHORITUTG-UHFFFAOYSA-N,3,1,0.427,46,128,403.377,3.263,5,0.44,0.69,1.0,0.8121873072441916,0.5606538277020081,0.4140394763895552,0.3504300596257967,0.5343276677403879
EOS-3-52955,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cn4)n23)ccn1,DPCLIADVMBJVDJ-UHFFFAOYSA-N,3,1,0.435,46,565,404.43,4.028,5,0.412,0.74,1.0,0.6956342951134261,0.6134689191967652,0.6695822767459393,0.6490216571859365,0.6569267870605168
EOS-3-52956,CCn1c(Cc2ccc(F)c(F)c2)nnc1-c1cncc2nnc(-c3ccc(C(F)F)cc3F)n12,FERTUZKPVJDVRR-UHFFFAOYSA-N,3,1,0.361,22,252,485.42,5.015,5,0.316,0.67,0.965,0.2694640531834693,0.464695702830512,0.8773302035501337,0.9163011445411555,0.6319477760263177
EOS-3-52957,Cc1cccc(-c2ncccc2-c2ccnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n1,VJLWNNWOVHSHOV-UHFFFAOYSA-N,3,1,0.439,28,942,486.539,4.635,6,0.322,0.62,1.0,0.5536460832019738,0.3155455417723254,0.3891611267219519,0.337656774724145,0.39900238160509904
EOS-3-52958,Clc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccnc(Cl)c5)c4)n23)cn1,BXQWHXDOTBTRRG-UHFFFAOYSA-N,3,1,0.489,97,401,484.734,5.183,5,0.317,0.69,1.0,0.6924131313823589,0.9181601672263724,0.870767939140566,0.9163097114659722,0.8494127373038174
EOS-3-52959,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,TXNZTYMCCFVPHX-UHFFFAOYSA-N,3,1,0.61,97,183,403.442,4.633,5,0.428,0.85,1.0,0.860376259337948,0.6756133918168734,0.8018984305393736,0.7995339592899733,0.784355510246042
EOS-3-52960,Cc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc(-c2ccc(F)c(F)c2)n1,GHJRPOCQRRBDSE-UHFFFAOYSA-N,3,1,0.517,59,89,482.853,5.206,5,0.32,0.62,1.0,0.9305393735864574,0.918168734151189,0.9585018161880612,0.9541241176067439,0.940333510383113
EOS-3-52961,COc1cc(F)cc(COc2ncccc2-c2cncc3nnc(-c4ccc(Cl)nc4)n23)c1,XLBVPBWZPQJMJT-UHFFFAOYSA-N,3,1,0.364,97,91,462.872,4.628,5,0.34,0.42,1.0,0.6438643684463026,0.8097028990473579,0.8435593859228291,0.7881570831334385,0.771320934137482
EOS-3-52962,Cc1cnc(-c2nnc3cncc(-c4ncc(F)c(-c5ccnc(F)c5)n4)n23)cn1,NYVYGOWWUKEAON-UHFFFAOYSA-N,3,1,0.268,50,261,403.356,2.687,5,0.423,0.68,0.999,0.27724282091700364,0.29531046535535604,0.28543280104173807,0.32791618120759375,0.2964755671304229
EOS-3-52963,Fc1cnccc1CCOc1cncc2nnc(-c3cccc(-c4ncon4)c3)n12,IKFTUJKBTWVYOB-UHFFFAOYSA-N,3,1,0.6,35,921,403.377,2.997,5,0.426,0.75,1.0,0.6985470495510931,0.5371204852306216,0.47515591803166335,0.4488811596189432,0.5399261531080803
EOS-3-52964,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6nnc7cnccn67)nn5)n34)cn2)nn1,SUUSXGPKTWXBQG-UHFFFAOYSA-N,3,1,0.311,99,944,490.426,1.739,7,0.351,0.53,0.838,0.2265266260023302,0.20355013364402713,0.05936878897950792,0.11404290315948187,0.1508721129463368
EOS-3-52965,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cc2)c1,QMEIGAHGCKPRQT-UHFFFAOYSA-N,3,1,0.435,96,856,402.82,4.708,5,0.437,0.86,1.0,0.3489222808580632,0.6037454595298472,0.82484065519841,0.9015231992324035,0.6697578987046809
EOS-3-52966,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccon5)cn4)n23)c(F)n1,NCPGECOKPRZVCA-UHFFFAOYSA-N,3,1,0.444,51,969,404.365,2.658,5,0.407,0.74,1.0,0.5536546501267905,0.5743609074086766,0.22742615310808031,0.18832670824480843,0.38594210472208895
EOS-3-52967,Fc1cncc(-c2cc(-c3nnc4cncc(COCCCc5ccnc(Cl)c5)n34)ccn2)c1,AXTLZPNMNCHMOM-UHFFFAOYSA-N,3,1,0.373,75,767,475.915,4.585,5,0.239,0.65,1.0,0.34667774655609623,0.36363169076828183,0.6262679048728669,0.6867760948529916,0.5058383592625592
EOS-3-52968,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5cc(Cl)ccc5F)s4)n23)nc1,CKDOHLWRYBZJJU-UHFFFAOYSA-N,3,1,0.295,10,314,490.915,3.96,6,0.365,0.65,0.371,0.09815125762456309,0.31555410869714207,0.2236567061887465,0.3698341443355493,0.25179905421150023
EOS-3-52969,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5cc(Cl)cc(Cl)c5)n34)c2)c1,WNHFXCRICCNDSG-UHFFFAOYSA-N,3,1,0.622,88,222,480.33,5.921,5,0.302,0.78,1.0,0.9055582208210541,0.944811870331026,0.9545096292234939,0.9730741553012131,0.9444884689191968
EOS-3-52970,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cncs6)ns5)n34)s2)nc1,BXSWJYVZIXIFAN-UHFFFAOYSA-N,3,1,0.455,6,297,475.584,5.074,6,0.332,0.58,1.0,0.30169282434377354,0.23335446508121443,0.15675759029538758,0.17720683983277363,0.21725292988828732
EOS-3-52971,CCOCc1cc(COc2cncc3nnc(-c4ccc(-c5ncn(C)n5)c(OC)c4)n23)nc(C)n1,IDHNMONUUOJTAP-UHFFFAOYSA-N,3,1,0.45,36,248,487.524,2.809,5,0.306,0.58,1.0,0.33946439586046195,0.17283770817627306,0.08524946885066137,0.026728805428003564,0.15607009457885
EOS-3-52972,Cc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cc(Cl)cc(Cl)c5)c4)n23)n(C)n1,OOTNTXZCPQVWPP-UHFFFAOYSA-N,3,1,0.554,34,146,483.334,5.525,5,0.329,0.72,1.0,0.5228137207867863,0.7895277911041053,0.8849890343362347,0.9072459050099376,0.776144112809266
EOS-3-52973,Fc1cncc(-c2ccc(CCOc3cncc4nnc(-c5ccnc(-c6ccccc6)c5)n34)nn2)c1,YTYNCFMOPARZML-UHFFFAOYSA-N,3,1,0.464,28,177,490.502,4.466,6,0.323,0.68,1.0,0.7903245151120554,0.7190819683366458,0.5135785758344185,0.5383541224042218,0.6403347954218355
EOS-3-52974,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccco5)cn4)n23)cc1F,NQYNDFSFPHBIQL-UHFFFAOYSA-N,3,1,0.354,96,802,400.373,3.351,5,0.495,0.83,1.0,0.27215406757590294,0.27445000342676995,0.6147368240696319,0.5807175656226441,0.43551461517373724
EOS-3-52975,COc1cc(Cl)cc(F)c1COc1cncc2nnc(-c3ccccc3F)n12,GLSNOBJCIBCWNA-UHFFFAOYSA-N,3,1,0.55,23,17,402.788,4.311,4,0.498,0.75,1.0,0.9560345418408608,0.9422160921115756,0.9504746076348434,0.945223082722226,0.9484870810773764
EOS-3-52976,CCn1nc(C(F)F)cc1CCc1cncc2nnc(-c3ccc(Cl)cn3)n12,OSWACHXPRRJEGM-UHFFFAOYSA-N,3,1,0.382,68,455,403.824,3.779,4,0.49,0.7,0.998,0.11045336166129806,0.23336303200603112,0.3478771160304297,0.4268984305393736,0.2796479850592831
EOS-3-52977,Cc1cccc(COc2cncc3nnc(-c4cc(Cl)c(C)c(-c5ncn(CF)c5C)c4)n23)n1,DOKUQZCLWDYOMH-UHFFFAOYSA-N,3,1,0.5,4,677,477.931,5.134,5,0.337,0.58,1.0,0.5330940305667877,0.5416523884586388,0.5605852923034748,0.48590740867658144,0.5303097800013707
EOS-3-52978,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C#CCOC)cn4)n23)cn1,YZZCKVGDFZZHNQ-UHFFFAOYSA-N,3,1,0.315,63,66,400.402,1.001,4,0.504,0.79,0.997,0.20447536152422727,0.09507573161537934,0.11250942361729833,0.050759029538756766,0.11570488657391542
EOS-3-52979,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)cc5Cl)n34)cc2)cs1,NRYXGTXYLPDIOP-UHFFFAOYSA-N,3,1,0.325,69,30,470.945,6.199,6,0.305,0.77,1.0,0.2855527379891714,0.43832670824480846,0.7733962716743198,0.7835223768076212,0.5701995236789802
EOS-3-52980,Fc1cc(-c2ccncc2)cc(-c2nnc3cncc(OCc4ccns4)n23)c1,NHCHIYKLSJBMBM-UHFFFAOYSA-N,3,1,0.544,97,439,404.43,4.028,5,0.44,0.71,1.0,0.5727417586183263,0.584898224933178,0.6641594133369886,0.6748766362826399,0.6241690082927832
EOS-3-52981,Fc1ccc(-c2cc(-c3nnc4cncc(Cl)n34)cnc2OCc2ccc(F)c(Cl)c2)nc1,RRUILRAOJZAWID-UHFFFAOYSA-N,3,1,0.449,59,13,485.281,5.412,5,0.331,0.71,0.998,0.7046295661709273,0.8214053183469262,0.9493266397094099,0.9591786032485778,0.8586350318689603
EOS-3-52982,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)ccc4OCc4cnc(Cl)c(F)c4)n23)cn1,XAVQSUKIIMTJIN-UHFFFAOYSA-N,3,1,0.336,96,46,493.861,3.858,5,0.356,0.73,0.927,0.7013484339661435,0.6414313617983689,0.7889452402165719,0.7644267013912686,0.7240379343430882
EOS-3-52983,Fc1ccccc1-c1nnc2cncc(OCc3cc(-c4cncs4)cnn3)n12,QBNVXFVMIFSPPX-UHFFFAOYSA-N,3,1,0.55,4,534,405.418,3.423,5,0.442,0.65,1.0,0.5381313823589884,0.6320163114248509,0.464927009800562,0.48888013158796517,0.5309887087930916
EOS-3-52984,Cc1cnc(-c2nnc3cncc(-c4cnn(C)c4-c4cccc(Cl)c4)n23)cn1,PQZKRJDICQIDAN-UHFFFAOYSA-N,3,1,0.35,50,844,402.849,3.611,5,0.458,0.74,1.0,0.05159002124597355,0.1569117949420876,0.3478856829552464,0.4457799328353094,0.2505418579946542
EOS-3-52985,c1csc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)s2)c1,SVOQHWUBWYSDMJ-UHFFFAOYSA-N,3,1,0.358,32,126,437.553,6.31,6,0.324,0.74,1.0,0.14045473236926873,0.24404598725241589,0.7095641148653279,0.7464447262010828,0.46012739017202386
EOS-3-52986,c1c[nH]c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)cn2)n1,HQTBTEPQHOKCKF-UHFFFAOYSA-N,3,1,0.295,42,174,405.421,4.503,6,0.464,0.69,0.999,0.11890034953053252,0.10134672058118017,0.6147453909944486,0.6283839353025837,0.36584409910218624
EOS-3-52987,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1-c1ccc(Cl)nn1,ASEIWGQZSFCCFT-UHFFFAOYSA-N,3,1,0.58,43,138,482.853,5.557,5,0.315,0.7,1.0,0.9832088273593311,0.9727743129326297,0.9768950037694469,0.9743334932492632,0.9768029093276678
EOS-3-52988,Fc1cc(-c2ccsc2)ccc1-c1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,ZAXRAWIMMAIGBI-UHFFFAOYSA-N,3,1,0.342,69,484,455.543,6.449,6,0.307,0.81,1.0,0.3095915290247413,0.4514084024398602,0.857849016517031,0.8714704269755329,0.6225798437392913
EOS-3-52989,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnc6ccccc56)c(F)c4)n23)cc1F,XWJAEDGQCJYREX-UHFFFAOYSA-N,3,1,0.321,3,3,494.465,4.101,6,0.393,0.71,1.0,0.3603933931875814,0.37331231581111646,0.7095726817901447,0.7091614693989445,0.5381099650469467
EOS-3-52990,Clc1ccnc(COc2cncc3nnc(-c4cccc(-c5c[nH]cn5)c4)n23)c1,OBFZZRIFRIHCDQ-UHFFFAOYSA-N,3,1,0.558,4,506,403.833,3.809,5,0.479,0.65,1.0,0.5281937495716538,0.5555479405112741,0.6416626687684189,0.6748852032074566,0.600072390514701
EOS-3-52991,COCc1ncc(-c2nnc3cncc(-c4cc(F)cnc4OC(F)F)n23)cn1,GAKKQMTUWAIWNN-UHFFFAOYSA-N,3,1,0.318,68,811,403.324,2.53,4,0.484,0.66,1.0,0.5868257830169282,0.7468302378178329,0.6351261051333014,0.5613306147625249,0.6325281851826468
EOS-3-52992,CC(NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)cn1)C(F)(F)F,MIOSJAYSIMMUOJ-UHFFFAOYSA-N,3,1,0.54,68,127,493.396,3.779,4,0.391,0.68,1.0,0.6210078130354328,0.5796038653964772,0.957422383661161,0.8481598245493798,0.7515484716606127
EOS-3-52993,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c(-c2ccccc2)n1,MUXGJKQZRHPPJL-UHFFFAOYSA-N,3,1,0.506,1,31,454.342,5.801,5,0.314,0.65,1.0,0.7875659653210884,0.8463693372626961,0.7527842505654171,0.8427198272907956,0.8073598451099993
EOS-3-52994,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccc(F)cc5F)cn4)n23)nc1,CPTGZLNKNDRSFH-UHFFFAOYSA-N,3,1,0.329,32,20,481.441,5.395,6,0.336,0.59,1.0,0.3556644506887808,0.579612432321294,0.8955349187855527,0.9184343088205058,0.6873115276540334
EOS-3-52995,Fc1ccc(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)c(-c2ccsc2)n1,LSCFGWNLSDPIOV-UHFFFAOYSA-N,3,1,0.442,77,177,481.516,5.09,6,0.306,0.63,1.0,0.7647950791583853,0.6465715166883695,0.6559951339867042,0.6344493180727846,0.6754527619765609
EOS-3-52996,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1nc(C)cc(F)n1,UENYYAICTZFHPA-UHFFFAOYSA-N,3,1,0.392,46,122,481.944,4.947,5,0.317,0.6,0.994,0.5671732574874923,0.6516517031046536,0.27445000342676995,0.29985093550819,0.44828147488177644
EOS-3-52997,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)nn4)n23)c(F)c1,ZBLHQHLDHBRMBS-UHFFFAOYSA-N,3,1,0.43,66,861,401.308,2.088,4,0.543,0.68,0.998,0.6237920636008498,0.7054519909533274,0.7226201082859297,0.6490302241107532,0.675223596737715
EOS-3-52998,Cc1cnc(-c2cc(-c3cncc4nnc(-c5cnc(C#Cc6ccccc6)nc5)n34)cc(F)n2)cn1,JOQCGNJAYKJOLX-UHFFFAOYSA-N,3,1,0.288,94,321,485.486,3.948,6,0.274,0.59,1.0,0.16813446645192243,0.3103882530326914,0.5675502021794256,0.5216314851620862,0.3919261017065314
EOS-3-52999,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5cnn(C)c5)n34)c(F)c2)nc1,USEXOSWZLVKQFT-UHFFFAOYSA-N,3,1,0.442,16,353,402.393,3.222,5,0.455,0.79,1.0,0.49719004866013294,0.5796209992461107,0.43637344938660816,0.3567695839901309,0.4674885203207456
EOS-3-53000,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)no4)n23)c(F)n1,JYGARZDJVZOKPV-UHFFFAOYSA-N,3,1,0.494,55,283,404.365,2.658,5,0.407,0.72,0.998,0.6924216983071757,0.6709529847166061,0.227434720032897,0.2053406209307107,0.4490375059968474
EOS-3-53001,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cscn5)c(F)n4)n23)c(F)c1F,HRVLRJSRVDHSRO-UHFFFAOYSA-N,3,1,0.391,13,573,444.373,4.659,5,0.228,0.62,1.0,0.6776694537728737,0.7468388047426496,0.9264186827496402,0.9184428757453225,0.8173424542526215
EOS-3-53002,Cn1cnc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)cn5)n34)cc2)c1,OCVBDKUISDJCTB-UHFFFAOYSA-N,3,1,0.365,85,81,402.849,3.226,5,0.458,0.73,1.0,0.24015660338564868,0.3051966965937907,0.4074343773559043,0.43321225412925773,0.34649998286615036
EOS-3-53003,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(F)nc5)no4)n23)cn1,ZUXKMZSVWZKANV-UHFFFAOYSA-N,3,1,0.536,55,879,403.377,3.263,5,0.412,0.83,1.0,0.6806507436090741,0.6806935782331575,0.48923137550544854,0.4076057158522377,0.5645453532999793
EOS-3-53004,Clc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)c2)cn1,QIBAWMHMNLGDAR-UHFFFAOYSA-N,3,1,0.506,2,419,469.357,5.238,5,0.317,0.55,1.0,0.7350849838941813,0.8060533890754574,0.7757607429237201,0.832807895277911,0.7874267527928176
EOS-3-53005,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(-c6cc(C)nn6C)n5)n[nH]4)n23)cc1,YUFBZBFBUWOSFZ-UHFFFAOYSA-N,3,1,0.312,74,423,491.519,2.707,6,0.374,0.64,0.996,0.16552155438283875,0.12754437667055035,0.07819888972654376,0.03784010691522171,0.10227623192378864
EOS-3-53006,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)cc1F,BCLRJZBPGNZWER-UHFFFAOYSA-N,3,1,0.58,16,770,403.377,3.263,5,0.44,0.73,1.0,0.8018127612912069,0.6037540264546638,0.5306010554451374,0.46451579740936194,0.6001709101500925
EOS-3-53007,Fc1cccc(-c2ccncc2-c2nnc3cncc(Oc4ccnc(-c5ccnc(F)c5)c4)n23)c1,KLGOWBVTGLUGHJ-UHFFFAOYSA-N,3,1,0.438,41,667,479.45,5.381,6,0.307,0.63,0.99,0.732232197930231,0.7639126859022686,0.8849976012610513,0.882761633883901,0.815976029744363
EOS-3-53008,Clc1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4-c4cccc(Cl)c4)n23)nc1,LOMIPAAAHWDUFN-UHFFFAOYSA-N,3,1,0.455,73,210,484.734,5.183,5,0.317,0.67,1.0,0.790333082036872,0.8760708656020835,0.6915393050510589,0.8348639572339113,0.7982018024809814
EOS-3-53009,Cn1nc(-c2cnc(C(F)(F)F)cn2)c(F)c1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,JUAOGWKBHZMWFA-UHFFFAOYSA-N,3,1,0.488,27,706,490.808,4.585,5,0.34,0.76,1.0,0.6528596395038038,0.8175245014049757,0.8967771228839696,0.8517836337468302,0.8047362243848948
EOS-3-53010,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)on2)c(F)c1F,WWHKWNGIXLNRHM-UHFFFAOYSA-N,3,1,0.435,59,89,474.349,4.775,5,0.259,0.64,1.0,0.7678620382427523,0.7596292234939346,0.972740045233363,0.9609433897608115,0.8652936741827153
EOS-3-53011,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nnco5)n4)n23)c(F)c1,YAGJYXXFIZYMOC-UHFFFAOYSA-N,3,1,0.443,71,820,488.418,2.889,6,0.344,0.54,1.0,0.4118035090124049,0.4383352751696251,0.3401154821465287,0.3439705983140292,0.38355621616064695
EOS-3-53012,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ncn(-c5ccc(F)nn5)n4)n23)c(F)c1,YUYZSVSRIGVARE-UHFFFAOYSA-N,3,1,0.396,36,79,488.422,1.815,6,0.341,0.54,0.996,0.25107086560208347,0.3828815708313344,0.15676615722020423,0.18291241176067438,0.24340775135357415
EOS-3-53013,FC(F)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4Cl)n23)cc1,ZFYNPYYPQPRKPX-UHFFFAOYSA-N,3,1,0.459,48,225,405.235,5.627,4,0.442,0.87,1.0,0.6210163799602495,0.8214138852717429,0.9937889795079159,0.9982009457884997,0.858605047632102
EOS-3-53014,Fc1ccc(-n2cnc(-c3cncc4nnc(-c5ccc(-c6c(F)cc(F)cc6F)cn5)n34)n2)cc1,NHMASCNWAMKSFG-UHFFFAOYSA-N,3,1,0.301,45,118,488.408,4.657,6,0.336,0.61,0.585,0.06943492563909259,0.2589952710575012,0.8861712699609349,0.9173291755191556,0.5329826605441711
EOS-3-53015,CCc1nc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1cncc(C)n1,ZGHCCGYBZJUCBN-UHFFFAOYSA-N,3,1,0.404,13,971,478.343,5.613,5,0.324,0.66,0.913,0.49989719690219997,0.6037625933794805,0.557381262422041,0.622781166472483,0.5709555547940511
EOS-3-53016,N#Cc1cccc(-n2cnc(COc3cncc4nnc(-c5cc(-c6cccnc6F)ccn5)n34)n2)c1,HLNDIGNKYNPIIZ-UHFFFAOYSA-N,3,1,0.342,28,414,490.462,3.419,6,0.322,0.68,0.996,0.32992940853951064,0.27960729216640395,0.5173223219793023,0.5184274552806525,0.41132161949146734
EOS-3-53017,Cc1ccc(Br)cc1-c1nnc2cncc(OCc3cccc(-c4ncc(F)cn4)n3)n12,DSKAPTLMXQNMHV-UHFFFAOYSA-N,3,1,0.506,73,665,492.312,4.432,5,0.359,0.75,1.0,0.5840072647522445,0.6225841272016996,0.5204578164622027,0.5016191487903502,0.5571670893016243
EOS-3-53019,Cc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cc5ccccc6cc6nn5)c4)n23)cn1,LAUNFBOSTSGPLA-UHFFFAOYSA-N,3,1,0.366,14,319,477.959,5.225,6,0.338,0.54,1.0,0.2829226920704544,0.4204132684531561,0.7226286752107464,0.7412274689877322,0.5417980261805222
EOS-3-53020,Cn1cnc(-c2cccc(-c3nnc4cncc(Oc5cccc(Cl)c5)n34)c2)c1,HDNAICPBOQSBAB-UHFFFAOYSA-N,3,1,0.636,13,15,402.845,4.638,5,0.438,0.86,1.0,0.5074446576656844,0.6134774861215818,0.7641439928723186,0.7881656500582551,0.66830794667946
EOS-3-53021,COc1cc(-c2nncc(CO)n2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,NQRRLMUMQLVWSA-UHFFFAOYSA-N,3,1,0.48,15,982,490.911,2.814,5,0.346,0.58,1.0,0.64986121581797,0.5416609553834556,0.3742803783153999,0.3216965937906929,0.47187478582687953
EOS-3-53022,Clc1ccccc1Oc1ccc(COc2cncc3nnc(-c4ccccc4Cl)n23)cc1,QKSJCJCSNCMMSG-UHFFFAOYSA-N,3,1,0.561,79,590,463.324,6.469,5,0.289,0.86,1.0,0.7987886368309232,0.9200191899115894,0.9530618189294771,0.9665375916660955,0.9096018093345213
EOS-3-53024,Fc1ccnc(-c2cccc(-c3nnc4cncc(COc5ccsc5)n34)c2)c1,GPASUBIKOOSKEM-UHFFFAOYSA-N,3,1,0.388,14,189,403.442,4.633,5,0.428,0.83,1.0,0.4897796586937153,0.5234391062984032,0.7592779795764513,0.7591837434034678,0.6329201219930094
EOS-3-53025,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4cccnn4)n23)ccc1F,WMDWUGIXOATGQG-UHFFFAOYSA-N,3,1,0.518,36,534,402.393,2.7,5,0.446,0.74,1.0,0.514803646083202,0.5464498663559728,0.4685936536220958,0.42690699746419025,0.4891885408813652
EOS-3-53026,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)c(F)cc1-c1ccnc(Cl)n1,ZOPGURXOQHOZNX-UHFFFAOYSA-N,3,1,0.456,73,89,486.269,4.807,5,0.33,0.62,1.0,0.9253992186964567,0.9143221849085053,0.9199420875882394,0.9352597491604414,0.9237308100884107
EOS-3-53027,Cc1ncc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)s5)c4)n23)o1,IWHPSAJKCWAWKH-UHFFFAOYSA-N,3,1,0.597,7,43,405.443,3.494,5,0.438,0.66,1.0,0.405018504557604,0.3207199643615928,0.13546878212596805,0.07998937701322734,0.23529915701459803
EOS-3-53028,CCCOc1cncc2nnc(-c3cc(-c4ccc(C(F)F)nc4)cc(=NCC)[nH]3)n12,SFQPZSGAAGPSSO-UHFFFAOYSA-N,3,1,0.391,68,548,425.443,3.828,4,0.486,0.42,0.941,0.30960009594955795,0.13076554040161745,0.5573898293468577,0.3892382290453019,0.34674842368583375
EOS-3-53029,c1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccco6)on5)n34)cc2)nc1,CLAPIHLTWTWFDS-UHFFFAOYSA-N,3,1,0.333,32,479,406.405,4.768,6,0.416,0.72,1.0,0.10050716194914673,0.1307741073264341,0.5573983962716743,0.5709769721060928,0.339914159413337
EOS-3-53030,Cc1nnsc1-c1ccnc(COc2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)c1,REOORHBGHFYCCQ-UHFFFAOYSA-N,3,1,0.529,27,534,487.442,4.75,5,0.331,0.71,1.0,0.46738571722294564,0.6709615516414228,0.9358337331231581,0.8743403467891165,0.7371303371941609
EOS-3-53031,Clc1ccc(-c2nnc3cncc(OCc4cncc(-n5nccn5)n4)n23)cn1,WZIITNZGNNDLCT-UHFFFAOYSA-N,3,1,0.418,92,94,406.797,1.789,5,0.402,0.57,1.0,0.29668974025083955,0.47343396614351313,0.09684908505242958,0.13613700226166814,0.2507774484271126
EOS-3-53032,CCCCn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccccc4Cl)n23)c(F)c1,AMSVBKOLSALCFV-UHFFFAOYSA-N,3,1,0.398,13,145,462.916,6.04,5,0.295,0.71,1.0,0.522822287711603,0.6270217942567337,0.6778664930436571,0.7436347748612158,0.6428363374683024
EOS-3-53033,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC(F)F)c(F)c5)n34)cn2)cs1,MFECNXCXOLEQGS-UHFFFAOYSA-N,3,1,0.562,24,786,484.463,4.938,5,0.323,0.71,1.0,0.9117606743883215,0.9103299979439381,0.8837125625385511,0.8102768830100747,0.8790200294702214
EOS-3-53034,CC(C)(C)c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n(-c2cccc(F)c2)n1,ZFRXUOFFDACFTR-UHFFFAOYSA-N,3,1,0.548,43,372,476.943,5.646,5,0.328,0.69,0.993,0.5485059283119731,0.7596377904187512,0.7757693098485368,0.6952487834966761,0.6947904530189843
EOS-3-53035,COc1ncncc1-c1cc(-c2cncc3nnc(-c4cc(-c5cnc(C)nn5)ccc4F)n23)ncn1,UYFOSDRAFHTIJH-UHFFFAOYSA-N,3,1,0.294,94,566,493.466,3.013,6,0.35,0.66,1.0,0.4209272839421561,0.4734425330683298,0.2668425741895689,0.21700877253101228,0.3445552909327668
EOS-3-53036,Cc1nc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nn4)n23)ncc1F,PEHUAYOUMPJICV-UHFFFAOYSA-N,3,1,0.277,50,261,403.356,2.687,5,0.423,0.69,0.857,0.31231581111644163,0.3344784456171613,0.2854413679665547,0.33766534164896167,0.3174752415872798
EOS-3-53037,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(C(F)F)cn3)n12,GKPSWJWIPHNXGS-UHFFFAOYSA-N,3,1,0.532,68,127,402.792,4.06,4,0.501,0.72,1.0,0.773284901651703,0.9013090261119868,0.8547734905078473,0.8188609416763758,0.8370570899869783
EOS-3-53038,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccoc5)n4C)n23)cn1,NZYVHSSPEMFYAU-UHFFFAOYSA-N,3,1,0.341,50,974,401.39,1.601,5,0.481,0.73,0.999,0.11343465149749846,0.06035398533342472,0.017922006716469055,0.010820026043451442,0.05063266739771091
EOS-3-53039,Fc1cccnc1-c1ccnc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)n4)n23)c1,NDYHIMYIEGRYPP-UHFFFAOYSA-N,3,1,0.414,18,181,483.294,4.106,5,0.263,0.6,1.0,0.7201014323898294,0.6807021451579741,0.4994088821876499,0.6046878212596807,0.6262250702487835
EOS-3-53040,Cc1nc(Cl)nc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,RQBFJXYNXLEKGW-UHFFFAOYSA-N,3,1,0.55,35,922,478.343,4.88,5,0.254,0.64,1.0,0.902414159413337,0.9013175930368035,0.5204663833870194,0.6079432526900144,0.7330353471317935
EOS-3-53041,Clc1ccccc1Oc1cncc2nnc(-c3cncc(-c4cnsc4)c3)n12,PXFSYWUKGAXLOL-UHFFFAOYSA-N,3,1,0.469,13,995,406.858,4.756,5,0.428,0.7,1.0,0.43452299362620794,0.5511274073058735,0.7278802001233637,0.7858440134329381,0.6248436536220958
EOS-3-53042,Cn1nncc1-c1cnc(-c2nnc3cncc(Cc4ccc(Cl)cn4)n23)cn1,RTEFIALQAULFEE-UHFFFAOYSA-N,3,1,0.312,50,674,404.825,2.016,5,0.447,0.57,1.0,0.11890891645534919,0.1452779110410527,0.08763964087451169,0.15585806318963744,0.12692113289013776
EOS-3-53043,CCc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3nccnc3C)n12,NDBLUTOCBMPYTQ-UHFFFAOYSA-N,3,1,0.279,63,66,400.446,2.406,5,0.547,0.72,0.813,0.0772308272222603,0.019755328627235967,0.004668974025083956,0.004463367829483929,0.026529624426016037
EOS-3-53044,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Oc6ccccc6)nc5)n34)c2)cn1,VXRQQUDGHALXDF-UHFFFAOYSA-N,3,1,0.429,28,942,488.511,4.718,6,0.315,0.68,1.0,0.4050270714824207,0.19438352409019258,0.4614317044753615,0.3504386265506134,0.35282023164964704
EOS-3-53045,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccon5)n34)c2)nc1,GDARZHDOFZLDPN-UHFFFAOYSA-N,3,1,0.505,54,873,404.365,2.392,5,0.42,0.66,1.0,0.479961962853814,0.3445360153519293,0.21334212870947844,0.24330923171818244,0.320287334658351
EOS-3-53046,Fc1cc(-c2nnc3cncc(-c4cn(-c5ccccc5)cn4)n23)ccc1-c1ccccc1Cl,QXPPGHQTWNYPJC-UHFFFAOYSA-N,3,1,0.368,93,991,466.907,6.104,6,0.315,0.68,1.0,0.1080203550133644,0.3539853334247139,0.9298454526763074,0.9541326845315605,0.5864959564114866
EOS-3-53047,Cc1ncc(-c2nnc3cncc(OCc4nccc(-c5cscn5)n4)n23)cn1,DMAHMRLBEPOYNW-UHFFFAOYSA-N,3,1,0.409,51,48,403.431,2.382,5,0.436,0.7,1.0,0.4096189431841546,0.3636402576930985,0.04821465286820643,0.032597148927421014,0.21351775066822015
EOS-3-53048,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)c(Cl)c1,NLDXGOYFZVSKHY-UHFFFAOYSA-N,3,1,0.407,68,364,400.229,2.578,4,0.527,0.74,1.0,0.22361387156466314,0.2489891028716332,0.46493557672537866,0.5184360222054691,0.363993643341786
EOS-3-53049,Cn1cc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)cn1,RLNYUENHRGEFBJ-UHFFFAOYSA-N,3,1,0.566,75,359,404.459,2.665,5,0.429,0.7,1.0,0.4140052086902885,0.2796158590912206,0.10192070454389693,0.07834452744842711,0.21847157494345829
EOS-3-53050,Cc1noc(CCOc2cncc3nnc(-c4cccc(-c5ncnn5C)c4)n23)n1,LFTALBDNRCYDHX-UHFFFAOYSA-N,3,1,0.519,20,931,403.406,1.9,5,0.418,0.75,1.0,0.2966983071756562,0.14528647796586938,0.017039613460352272,0.012147899390034952,0.11779307449797821
EOS-3-53051,CC1CCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cn1,JGORFOFDMPGFCC-UHFFFAOYSA-N,3,1,0.447,0,829,497.559,2.95,6,0.427,0.79,1.0,0.029067575902953877,0.002021794256733603,0.0010280309780001371,0.0025358097457336714,0.008663302720855321
EOS-3-53052,Cc1cc(-c2nnc3cncc(OCc4cnc(Cl)cc4F)n23)cc(-c2ccc(F)c(F)c2)n1,XBFFAECLXROHMA-UHFFFAOYSA-N,3,1,0.517,59,13,482.853,5.206,5,0.32,0.62,1.0,0.9279435953670071,0.930419436639024,0.9594099102186279,0.957396682886711,0.9437924062778424
EOS-3-53053,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)nc1,AXDCKPICXXLFJC-UHFFFAOYSA-N,3,1,0.442,90,244,400.32,2.282,4,0.515,0.78,1.0,0.6381587965184018,0.40186587622507025,0.810062709889658,0.7436433417860325,0.6484326811047907
EOS-3-53054,Cc1nsc(COc2cncc3nnc(-c4ccnc(-c5cnn(C)c5)c4)n23)n1,NNYMDYOOWLJUHH-UHFFFAOYSA-N,3,1,0.448,92,329,405.447,2.326,5,0.438,0.63,1.0,0.16814303337673908,0.18137893221849086,0.0362209581248715,0.02493831814131999,0.10267031046535535
EOS-3-53055,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)n(C)n1,OYODDRNATHRHMT-UHFFFAOYSA-N,3,1,0.432,92,662,404.459,2.931,5,0.444,0.67,1.0,0.2615996162017682,0.2953190322801727,0.112517990542115,0.07449797820574326,0.18598365430744976
EOS-3-53056,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5ccnc(Cl)c5)s4)n23)nc1,XTRHIESTDSHTOJ-UHFFFAOYSA-N,3,1,0.258,39,114,488.899,4.016,6,0.339,0.61,0.39,0.1353831128778014,0.2641182920978685,0.17614454115550682,0.3246179151531766,0.22506596532108833
EOS-3-53057,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4cncc(Oc5ccccc5)c4)n23)cc1,NGRJPHYFKQDKJY-UHFFFAOYSA-N,3,1,0.522,79,637,492.539,4.492,6,0.323,0.81,0.993,0.5810259749160441,0.19900109656637655,0.33318483996984444,0.3312487149612775,0.36111515660338567
EOS-3-53058,Cc1ccc(-c2nnc3cncc(-c4cccc(-c5cscn5)n4)n23)c(-c2cncc(Cl)c2)n1,WYCDQVYLVDJVCT-UHFFFAOYSA-N,3,1,0.304,32,368,482.96,5.396,6,0.332,0.62,0.95,0.22362243848947982,0.32072853128640944,0.43638201631142487,0.5016277157151668,0.37059017545062023
EOS-3-53059,COc1cc(-c2nnc3cncc(OCc4cnc(F)cc4F)n23)ncc1-c1ccc(F)c(F)n1,HLAMXERFOCXUDE-UHFFFAOYSA-N,3,1,0.388,46,223,483.385,3.787,5,0.266,0.58,1.0,0.8648481940922487,0.759646357343568,0.8872849701871016,0.8307432663970941,0.8356306970050031
EOS-3-53060,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4OCc4cccc(F)c4)n23)cn1,VXLPZMPRGUWXIY-UHFFFAOYSA-N,3,1,0.364,25,791,493.506,4.07,6,0.342,0.77,0.999,0.3765506133918169,0.4690819683366459,0.5173308889041189,0.4919128229730656,0.46371907340141183
EOS-3-53061,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC6CCCCC6C5)cn4)n23)nc1,OVWOFXLBYAMWPV-UHFFFAOYSA-N,3,1,0.267,63,759,496.575,3.26,6,0.461,0.7,0.99,0.0327342197244877,0.005662737303817422,0.0014906449181001987,0.008961003358234527,0.012212151326159963
EOS-3-53062,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cc(Cl)cnc4-c4cnc(C#N)cn4)n23)nc1,GKPNYYYNDOSGDT-UHFFFAOYSA-N,3,1,0.293,86,968,492.894,3.026,6,0.359,0.65,1.0,0.21821670893016243,0.34454458227674595,0.22366527311356316,0.2937684188883558,0.27004874580220684
EOS-3-53063,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cn2)cc1,JIGVOZRNWIOPDL-UHFFFAOYSA-N,3,1,0.309,96,856,401.817,3.669,5,0.492,0.75,1.0,0.36955143581659927,0.46470426975532864,0.49250394078541565,0.5807261325474607,0.47687144472620113
EOS-3-53064,Cc1nc(-c2cccnc2)c(-c2cncc3nnc(-c4ncc(Cl)cn4)n23)n1C,NYSUEVJBXFHGBV-UHFFFAOYSA-N,3,1,0.276,50,489,403.837,3.006,5,0.456,0.68,0.756,0.1627116030429717,0.18986875471180864,0.061493386334041535,0.11645020903296553,0.13263098828044687
EOS-3-53065,N#Cc1nccnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)c(F)c1,MQZIPIHTSNSTNW-UHFFFAOYSA-N,3,1,0.307,64,27,489.449,4.522,6,0.355,0.62,1.0,0.2967068741004729,0.4159156329244055,0.7122198615584949,0.7764203961346036,0.5503156911794942
EOS-3-53066,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)nn1)N1CCc2nc(CO)[nH]c2C1,RGUHXWMUVYCKMZ-UHFFFAOYSA-N,3,1,0.267,33,432,488.899,1.711,6,0.385,0.57,0.886,0.09111781235007882,0.09808272222602975,0.002707148242067028,0.012156466314851622,0.05101603728325681
EOS-3-53067,Fc1cc(Cl)c(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)cc1C(F)F,NYLKQYNQHKFLPJ-UHFFFAOYSA-N,3,1,0.307,96,315,470.817,5.785,5,0.246,0.77,0.884,0.4096275101089713,0.6952916181207593,0.9889572339113152,0.9901566033856487,0.7710082413816737
EOS-3-53068,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(OCc4cccs4)n23)ccn1,AUASKURIUTTYBI-UHFFFAOYSA-N,3,1,0.61,92,43,403.471,3.536,5,0.446,0.75,1.0,0.2318466863134809,0.20836474539099445,0.2236738400383798,0.16363683092317183,0.20688052566650675
EOS-3-53069,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccn1,YVEAGYPQYMOBDM-UHFFFAOYSA-N,3,1,0.5,55,45,403.381,2.095,5,0.411,0.71,1.0,0.5458758823932561,0.3733208827359331,0.2489634020971832,0.23158967856898088,0.3499374614488383
EOS-3-53070,Cn1cc(COc2cncc3nnc(-c4cc(-c5ccccc5F)ncn4)n23)nn1,IYOVHFJCWZJWRA-UHFFFAOYSA-N,3,1,0.441,44,238,403.381,2.095,5,0.439,0.68,0.984,0.23476800767596465,0.3155626756219587,0.1924045644575423,0.23159824549379754,0.24358337331231578
EOS-3-53071,COC1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccccn5)n34)nc2)CC1,VUETZCGSCBZVLC-UHFFFAOYSA-N,3,1,0.297,52,821,493.531,2.956,6,0.363,0.72,0.404,0.02223973682406963,0.0015506133918168734,0.00402645466383387,0.015848810910835447,0.010916403947638955
EOS-3-53072,Cn1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnco6)cc5F)n34)cn2)nc2ccccc21,DAQQDVIPTMUGHT-UHFFFAOYSA-N,3,1,0.286,30,923,489.474,4.596,7,0.353,0.65,0.976,0.24277808237954904,0.29014460969090533,0.4649441436501953,0.495048317455966,0.37322878829415396
EOS-3-53073,Clc1cccc(-c2nnc3cncc(OCc4cn(-c5sccc5Br)cn4)n23)c1,BGAHJJVOQXMXAF-UHFFFAOYSA-N,3,1,0.541,4,401,487.77,5.033,5,0.348,0.69,1.0,0.4256733602905901,0.5142125282708518,0.593096771982729,0.6719381810705229,0.5512302104036735
EOS-3-53074,Clc1cnc(-c2cscn2)nc1COc1cncc2nnc(-c3ccc(-c4ncon4)nc3)n12,XSPZSMOUIWQYTP-UHFFFAOYSA-N,3,1,0.472,80,34,490.896,3.382,6,0.339,0.67,1.0,0.5253752313069701,0.6037711603042971,0.082576588307861,0.11405147008429854,0.3314436125008567
EOS-3-53075,Cc1ccc(-c2nnc3cncc(OCc4noc(-c5cccnc5)n4)n23)c(F)n1,BTJYLWTYRFISBL-UHFFFAOYSA-N,3,1,0.451,51,85,404.365,2.658,5,0.407,0.72,1.0,0.5148122130080186,0.5464584332807896,0.1446353916798026,0.1340809403056679,0.3349967445685697
EOS-3-53076,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccccc5F)n34)cn2)cn1,KZIUYQNKHVUVDQ-UHFFFAOYSA-N,3,1,0.542,16,389,401.405,3.305,5,0.449,0.82,1.0,0.572750325543143,0.5464670002056062,0.6292748954835172,0.5709855390309094,0.579869440065794
EOS-3-53077,Cc1cccc(Oc2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cc2F)c1,VQCOXRFHVPVSFY-UHFFFAOYSA-N,3,1,0.495,59,881,479.874,5.798,5,0.306,0.7,1.0,0.9658179699814955,0.9304280035638407,0.9620570899869783,0.9521965595229936,0.9526249057638271
EOS-3-53078,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(F)nn5)co4)n23)nn1,AMWRHLDEFPOOLP-UHFFFAOYSA-N,3,1,0.411,53,670,405.353,2.053,5,0.428,0.59,0.973,0.4971986155849496,0.4471934754300596,0.07589438695086012,0.07450654513055993,0.27369825577410734
EOS-3-53079,CC(NC(=O)c1ccc(-c2nnc3cncc(-c4cn(C)nc4C(F)F)n23)cc1)c1cccc(F)c1,FOZTTXQMOZKUQL-UHFFFAOYSA-N,3,1,0.406,62,124,491.477,4.76,5,0.37,0.68,1.0,0.23748372284284833,0.3445531492015626,0.8905918031663355,0.7881742169830718,0.5652007230484545
EOS-3-53080,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)nn1C,HFSBDPPHANZKCR-UHFFFAOYSA-N,3,1,0.538,16,256,404.459,2.931,5,0.444,0.65,1.0,0.314860187786992,0.21323075868686175,0.05380885477349051,0.040341648961688716,0.15556036255225822
EOS-3-53081,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)nc4)n23)nn1,YJPWNFVYFZVKSV-UHFFFAOYSA-N,3,1,0.349,92,875,405.809,2.822,5,0.42,0.6,0.999,0.47249160441367966,0.5849067918579947,0.192413131382359,0.21981015694606265,0.36740542115002395
EOS-3-53082,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2F)nn1,UBUWWCQASMPQFB-UHFFFAOYSA-N,3,1,0.505,89,398,496.506,3.562,6,0.363,0.86,1.0,0.5510845726817901,0.24405455417723254,0.29994517168117335,0.3063617983688575,0.3503615242272634
EOS-3-53083,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cnn(C)c4)nn3)n12,GACBUNVPSAVBPU-UHFFFAOYSA-N,3,1,0.355,22,844,402.849,3.611,5,0.458,0.73,1.0,0.1005157288739634,0.32519189911589336,0.482309300253581,0.5319631964909876,0.3599950311836063
EOS-3-53084,Cc1nnc(COc2cncc3nnc(-c4nccnc4-c4cncn4C)n23)s1,JWXMSODFALSUDY-UHFFFAOYSA-N,3,1,0.367,7,828,406.435,1.721,5,0.429,0.58,0.736,0.10802892193818107,0.08884757727366184,0.0056541703790007536,0.0032040298814337603,0.05143367486806936
EOS-3-53085,Fc1cc(-c2cnnc(Cl)c2F)nnc1Cc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,ZVYSMQIMXKBELI-UHFFFAOYSA-N,3,1,0.368,85,476,487.808,3.893,5,0.344,0.53,0.985,0.40503563840723733,0.5511359742306902,0.8037745870742239,0.8328164622027278,0.6481906654787198
EOS-3-53086,Cc1ncc(-c2ncc(-c3nnc4cncc(-c5ncc(F)c(=O)n5C)n34)cn2)o1,FKHCUKZFHIOCGQ-UHFFFAOYSA-N,3,1,0.31,50,489,405.353,1.445,5,0.438,0.59,1.0,0.36256082516619836,0.3052052635186074,0.028724898910287164,0.03473888013158796,0.18280746693167024
EOS-3-53087,Fc1cnc(-c2cc(F)nc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)c2)nc1,QSMMVNRKSZONBW-UHFFFAOYSA-N,3,1,0.388,73,775,485.817,3.126,5,0.264,0.59,1.0,0.8043314371873073,0.7810636693852375,0.3964772805153862,0.4859159756013981,0.6169470906723322
EOS-3-53088,N#Cc1cc(F)cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,UIBDBUZFMUCMCR-UHFFFAOYSA-N,3,1,0.39,0,862,398.401,3.361,5,0.569,0.91,1.0,0.2667055033925022,0.30026214789939004,0.6262764717976835,0.7091700363237612,0.47560353985333426
EOS-3-53089,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(OC)c1,YVSBFYLKLZDXDD-UHFFFAOYSA-N,3,1,0.312,52,269,494.559,3.946,6,0.365,0.79,1.0,0.13539167980261804,0.06036255225824138,0.05937735590432458,0.05209546981015695,0.07680676444383523
EOS-3-53090,Fc1cc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)n6)cc5)n34)n2)ccn1,MVIARAADPVRTTJ-UHFFFAOYSA-N,3,1,0.338,69,479,479.906,5.77,6,0.298,0.71,1.0,0.3695600027414159,0.4780772393941471,0.8519035706942636,0.8798917140703173,0.6448581317250359
EOS-3-53091,Cn1c(C(=O)C2Oc3ccc(C(F)F)nc3O2)ccc1-c1cncc2nnc(-c3cnsn3)n12,XSPUHZUKQYDZQG-UHFFFAOYSA-N,3,1,0.243,50,542,482.432,2.961,6,0.348,0.47,0.024,0.34893084778287986,0.2286597902816805,0.4363905832362415,0.3246264820779933,0.3346519258446988
EOS-3-53092,CCOc1cnc(-c2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)ncn2)cn1,IVETYDJXYRTMET-UHFFFAOYSA-N,3,1,0.354,39,449,492.478,3.7,6,0.339,0.68,0.957,0.5199438009732027,0.5650315262833253,0.2559368788979508,0.2641182920978685,0.4012576245630869
EOS-3-53093,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)c(Cl)c6)n5)n34)nc2)ccn1,MUROAHSSQOEQMV-UHFFFAOYSA-N,3,1,0.258,10,872,487.861,4.428,6,0.339,0.56,1.0,0.05840072647522445,0.29015317661572204,0.7734048385991364,0.8388904118977452,0.490212288396957
EOS-3-53094,CCn1cc(-c2cncc3nnc(-c4ccc(-c5cnc(F)c(F)c5)cc4)n23)cn1,XAAOOWMMGMJKAO-UHFFFAOYSA-N,3,1,0.333,96,478,403.396,4.015,5,0.424,0.77,1.0,0.20448392844904392,0.29532759920498936,0.7827599204989377,0.7668854088136523,0.5123642142416558
EOS-3-53095,FC(c1ccccc1)c1cncc2nnc(-c3ccc(-c4ccnc(Cl)c4)c(Cl)c3)n12,XBDGPNKFTGFXEZ-UHFFFAOYSA-N,3,1,0.4,57,358,450.304,6.219,5,0.305,0.7,1.0,0.3533428140634638,0.5898327736275787,0.9865841957370982,0.9926581454321157,0.7306044822150641
EOS-3-53096,Fc1cc(-c2cncc(Cl)c2)cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)c1,MQSRGGZPCOAQDP-UHFFFAOYSA-N,3,1,0.585,59,469,485.281,5.412,5,0.331,0.68,1.0,0.7379377698581318,0.8395072304845452,0.9634791995065451,0.9759440751147967,0.8792170687410047
EOS-3-53097,Cc1ccc(COc2cncc3nnc(-c4csc(-c5nccn5C)c4)n23)nn1,UTBJTQCVUDVJAJ-UHFFFAOYSA-N,3,1,0.433,92,185,404.459,2.931,5,0.444,0.67,1.0,0.17624734425330682,0.10805462271263107,0.08258515523267768,0.054751216503323964,0.10540958467548489
EOS-3-53098,COc1cc(-c2nnc3cncc(OCCCc4cc(F)ncc4F)n23)ccc1-c1ccccc1,GIERLHUBRZTXSJ-UHFFFAOYSA-N,3,1,0.505,91,955,473.483,5.152,5,0.229,0.69,1.0,0.9381125351243917,0.842916866561579,0.8305033925022274,0.7905044205332054,0.8505093036803509
EOS-3-53099,Cc1cnc(-c2nnc3cncc(-c4ncnc(-c5ccc(Cl)nc5)n4)n23)cn1,PAEGCGBYKQYGTR-UHFFFAOYSA-N,3,1,0.321,50,852,402.809,2.457,5,0.419,0.71,0.613,0.21822527585497908,0.2744585703515866,0.08764820779932836,0.13408950723048454,0.17860539030909464
EOS-3-53100,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ncsc5Cl)cc4F)n23)c1,FRNRPYMLCDKAFS-UHFFFAOYSA-N,3,1,0.345,25,791,489.927,4.565,6,0.357,0.65,1.0,0.13540024672743473,0.30521383044342404,0.4614402714001782,0.589772805153862,0.3729567884312247
EOS-3-53101,Fc1ccc(-c2nnc3cncc(Cc4ccc(-c5cccnn5)nc4)n23)cc1F,BEDKVQMSBSIGBT-UHFFFAOYSA-N,3,1,0.4,14,81,401.38,3.512,5,0.458,0.76,1.0,0.4280635323144404,0.5234476732232198,0.7688900692207525,0.7905129874580221,0.6277285655541087
EOS-3-53102,Cn1ncnc1-c1cc(COc2cncc3nnc(-c4ccc(F)nc4)n23)ncn1,WPONYSCDCNSZHF-UHFFFAOYSA-N,3,1,0.43,7,185,404.369,1.49,5,0.401,0.66,0.982,0.41857137961757246,0.4472020423548763,0.10717222945651429,0.10488486053046399,0.2694576279898568
EOS-3-53103,CC(O)(c1ccc(F)cc1)c1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5)n4)n23)cc1,HXRUWKYNBKQRGG-UHFFFAOYSA-N,3,1,0.358,93,897,489.514,4.705,6,0.374,0.64,1.0,0.3246778836268933,0.5324001096566376,0.9190254266328559,0.9003923651566034,0.6691239462682476
EOS-3-53104,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)nc2CCO)s1,RSBSPDSBPBQHPL-UHFFFAOYSA-N,3,1,0.366,46,717,481.488,3.405,5,0.352,0.48,0.984,0.5148207799328353,0.41592419984922213,0.34789424988006307,0.32463504900280993,0.40081856966623264
EOS-3-53105,N#Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccnc(-c6cncc(Cl)n6)c5)n34)cc2)c1,HDMARIVCTHNADU-UHFFFAOYSA-N,3,1,0.388,69,299,486.926,5.502,6,0.323,0.75,1.0,0.3096086628743746,0.42485950243300663,0.8651566033856487,0.8896066068124187,0.6223078438763622
EOS-3-53106,Cc1cnc(-c2nnc3cncc(OCc4ccc(-c5nnns5)nc4)n23)cn1,ZJJCMEMRNWQVEZ-UHFFFAOYSA-N,3,1,0.477,7,828,404.419,1.777,5,0.427,0.67,0.804,0.317361729833459,0.18987732163662532,0.031012267836337468,0.02494688506613666,0.1407995510931396
EOS-3-53107,Fc1cc(-c2ncccc2F)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)c1,UZJDALBPSZFQIK-UHFFFAOYSA-N,3,1,0.527,88,698,482.853,4.941,5,0.319,0.57,1.0,0.9187684188883558,0.9395003769446919,0.9320899869782743,0.9420019189911589,0.9330901754506202
EOS-3-53108,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)ccn2)cn1,DLLNWKYGIJNARP-UHFFFAOYSA-N,3,1,0.573,92,329,402.393,2.7,5,0.446,0.73,1.0,0.33237954903707767,0.36364882461791515,0.48231786717839764,0.42059317387430606,0.39973485367692413
EOS-3-53109,Fc1ccnc(-c2cc(-c3nnc4cncc(Oc5ccc(-c6nnco6)nc5)n34)ccc2Cl)c1,VCHWQWXAKPDMIY-UHFFFAOYSA-N,3,1,0.441,13,870,486.854,4.883,6,0.336,0.57,0.986,0.8279418819820438,0.8527773970255637,0.7201785347131794,0.7514992118429169,0.7880992563909259
EOS-3-53110,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cc(Cl)n2)c(C)n1,DZSRXCLEALDHKJ-UHFFFAOYSA-N,3,1,0.552,13,573,482.306,5.498,5,0.313,0.65,1.0,0.8069100815571243,0.8253118360633267,0.8078353094373244,0.8266482763347269,0.8166763758481257
EOS-3-53111,Cc1nnc(-c2cnc(Oc3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)c(Cl)c2)s1,MJQPVJYJUPBZDA-UHFFFAOYSA-N,3,1,0.34,53,52,491.846,4.268,5,0.363,0.7,1.0,0.6155421150023987,0.6661212391200055,0.6207336714412994,0.5249725858405867,0.6068424028510726
EOS-3-53112,Cc1cc(C(F)F)cnc1-c1nnc2cncc(-c3cccc(-c4cnco4)c3)n12,BVUIEDDNHJEFNW-UHFFFAOYSA-N,3,1,0.265,96,315,404.38,4.754,5,0.43,0.78,0.958,0.2588667671852512,0.2848074155301213,0.8519121376190802,0.8246350490028099,0.5550553423343156
EOS-3-53113,Fc1cc(F)c(F)c(-c2cc(F)c(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)cn2)c1,PDEIFXMUYAPDGX-UHFFFAOYSA-N,3,1,0.298,45,315,472.352,5.409,5,0.259,0.65,0.781,0.3787437461448838,0.5234562401480365,0.9934206017407992,0.9951939551778494,0.7227036358028922
EOS-3-53114,Cc1nc(-c2cc(Cl)c(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2Cl)no1,UANOZCZMOQEDJU-UHFFFAOYSA-N,3,1,0.488,73,212,489.71,4.479,5,0.352,0.67,1.0,0.5123963402097184,0.6182663970940991,0.4994174491124666,0.6169984922212323,0.5617696696593791
EOS-3-53115,Fc1ccc(Cl)cc1-c1nccnc1-c1nnc2cncc(-c3nc(-c4cncnc4)cs3)n12,ZSFJXUJQMYJSIQ-UHFFFAOYSA-N,3,1,0.291,39,449,487.911,4.621,6,0.354,0.61,0.99,0.17346309368788979,0.32520046604071,0.4140480433143719,0.564551778493592,0.36931584538414086
EOS-3-53116,Fc1cnc(CCc2cncc3nnc(-c4ccc(Cl)nc4)n23)c(C(F)F)c1,VSTPGXSEJFBRAX-UHFFFAOYSA-N,3,1,0.392,68,455,404.783,4.097,4,0.468,0.61,1.0,0.48487081077376465,0.7767545062024536,0.8955434857103695,0.9139966417654719,0.7677913611130149
EOS-3-53117,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)[nH]n2)nn1,MLWRIIYLVJWGPY-UHFFFAOYSA-N,3,1,0.383,53,963,403.381,2.393,5,0.475,0.66,0.724,0.492289767664999,0.3780840929340004,0.3146974162154753,0.28760023302035503,0.36816787745870744
EOS-3-53118,Fc1nc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)s4)n23)ccc1-c1ccccn1,UOMOXGCZSQHFFT-UHFFFAOYSA-N,3,1,0.435,28,297,482.504,4.485,6,0.32,0.56,0.999,0.6381673634432184,0.565040093208142,0.292680419436639,0.30289219381810706,0.4496950174765266
EOS-3-53119,Fc1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)nn5)cn4)n23)cc1,OLVREBHFBJVNEF-UHFFFAOYSA-N,3,1,0.478,14,81,402.368,2.907,5,0.456,0.69,1.0,0.41857994654238917,0.5324086765814543,0.4787797272291138,0.5548711534507573,0.49615987595092864
EOS-3-53120,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3F)n12,VWUDZKDXAPFYOR-UHFFFAOYSA-N,3,1,0.545,84,710,484.463,4.357,5,0.317,0.55,1.0,0.7960386539647728,0.8097114659721746,0.7757778767733534,0.6894147076965252,0.7677356761017066
EOS-3-53121,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCc4cc(-c5nccnn5)cnn4)n23)cn1,VCAZXGQZTTZLAR-UHFFFAOYSA-N,3,1,0.43,92,185,491.422,1.402,5,0.334,0.59,1.0,0.4416164073744089,0.284815982454938,0.15076930984853676,0.1007299019943801,0.24448290041806595
EOS-3-53122,CCn1c(C)nc(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,LBVZZYXJSVBVSO-UHFFFAOYSA-N,3,1,0.362,21,810,456.553,6.317,6,0.305,0.79,1.0,0.1545130559934206,0.13078267425125076,0.447313412377493,0.5419693646768556,0.31864462682475503
EOS-3-53123,O=C(Nc1ccccc1)c1ccc(-c2nnc3cncc(-c4cn(-c5cncc(F)n5)nn4)n23)c(F)c1,JVSZLEPMBLVVPU-UHFFFAOYSA-N,3,1,0.368,10,783,496.441,3.36,6,0.385,0.78,0.853,0.008155712425467754,0.15692036186690425,0.4037077650606538,0.40138612843533683,0.24254249194709065
EOS-3-53124,CCn1nc(CO)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5nccnc5C)cn4)n23)nc1,MZJSNTGPFOZDAK-UHFFFAOYSA-N,3,1,0.248,70,652,491.519,2.784,6,0.369,0.61,0.156,0.061947433349324926,0.0856949489411281,0.026540333082036873,0.022436776094852992,0.04915487286683572
EOS-3-53125,Fc1cc(-c2ncoc2-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)cc(F)c1Cl,OBHDYLOOCGSPBA-UHFFFAOYSA-N,3,1,0.312,45,315,460.778,5.378,5,0.264,0.61,0.99,0.37655918031663355,0.5142210951956686,0.977537523130697,0.9807758207113975,0.7122734048385991
EOS-3-53126,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)nc5)n34)nc2)ccn1,AFCCDWCEADWHPC-UHFFFAOYSA-N,3,1,0.366,32,20,479.906,5.77,6,0.298,0.7,1.0,0.28836268932903847,0.48673840038379823,0.8872935371119183,0.915204578164622,0.6443998012473443
EOS-3-53127,Cc1nnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)s1,NGSKTUYXZPIQDC-UHFFFAOYSA-N,3,1,0.442,92,617,402.443,2.987,5,0.442,0.79,1.0,0.28556130491398807,0.33945582893564524,0.07590295387567679,0.079997943938044,0.19522950791583854
EOS-3-53128,Cn1cnnc1-c1cncc(-c2cncc3nnc(-c4ccc(C(N)=O)s4)n23)n1,RJPSDOSKBLGIDW-UHFFFAOYSA-N,3,1,0.276,50,828,404.419,1.204,5,0.471,0.57,0.632,0.056704475361524224,0.016559865670618873,0.00902953875676787,0.005242957987800699,0.02188420944417792
EOS-3-53129,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)cc1F,LXITXFWKKAFPFT-UHFFFAOYSA-N,3,1,0.512,13,573,403.352,3.714,5,0.452,0.68,1.0,0.7379463367829484,0.5945188815022959,0.8403467891165787,0.8367401137687616,0.7523880302926462
EOS-3-53130,Cn1cnnc1COc1cncc2nnc(-c3cnnc(-c4cccnc4F)c3)n12,QDUWEZNPKNYOAB-UHFFFAOYSA-N,3,1,0.411,36,404,404.369,1.49,5,0.401,0.68,0.998,0.3717274347200329,0.4159327667740388,0.09685765197724625,0.1093225275854979,0.24846009526420396
EOS-3-53131,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(Cl)ccc5Cl)o4)n23)cc1,ABRWNGZLUGMAAZ-UHFFFAOYSA-N,3,1,0.474,34,417,458.692,6.199,5,0.298,0.76,0.999,0.9147076965252553,0.9290658625179905,0.9142279487355219,0.9516311424850935,0.9274081625659653
EOS-3-53132,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5)n34)cnc2Cl)cc1Cl,BUPKAGJDKPOGJE-UHFFFAOYSA-N,3,1,0.705,57,485,480.33,5.921,5,0.282,0.81,1.0,0.9818895209375642,0.9850335823452814,0.9493352066342265,0.9655181276129121,0.970444109382496
EOS-3-53133,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1ccnc(F)n1,CELWLWOPFDTOBJ-UHFFFAOYSA-N,3,1,0.462,16,591,481.85,4.163,5,0.263,0.59,1.0,0.9668717017339455,0.8892981975190186,0.8502844219039134,0.7741501610581866,0.870151120553766
EOS-3-53134,Cc1ccc(-c2nnc3cncc(-c4cnc(-c5cc(F)ccc5F)nc4)n23)nc1,NDNWMMVVUNXRLD-UHFFFAOYSA-N,3,1,0.316,45,575,401.38,3.897,5,0.456,0.83,1.0,0.2855698718388047,0.42042183537797273,0.720187101637996,0.7464532931258995,0.5431580254951682
EOS-3-53135,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(F)nc5F)n34)c(Cl)n2)s1,JUCCWIQFHRGWCN-UHFFFAOYSA-N,3,1,0.451,58,24,487.883,3.356,5,0.332,0.56,0.724,0.6714498663559728,0.7810722363100542,0.10192927146871358,0.17453395928997328,0.43224633335617846
EOS-3-53136,Cn1cc(-c2c[nH]c(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)cn1,YLHJVHZIMKHAQV-UHFFFAOYSA-N,3,1,0.467,65,904,404.409,2.676,5,0.467,0.63,1.0,0.33719416078404496,0.1492186964567199,0.5440853951065725,0.4677712288396957,0.37456737029675824
EOS-3-53137,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2)n1C,ZDIDORRAJIKAOS-UHFFFAOYSA-N,3,1,0.557,16,256,403.471,3.536,5,0.446,0.71,1.0,0.48723528202316496,0.35399390034953054,0.26685114111438557,0.18833527516962512,0.3241038996641765
EOS-3-53138,Fc1ncccc1-c1ncccc1-c1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)cc3)n12,WFQNNHITNUJUDX-UHFFFAOYSA-N,3,1,0.325,69,30,479.906,5.77,6,0.298,0.69,0.999,0.3323881159618943,0.4867469673086149,0.8707765060653828,0.895115139469536,0.646256682201357
EOS-3-53139,COc1cnn(C(C)C)c1-c1cnc(OC)c(COc2cncc3nnc(-c4ccc(C)nc4)n23)c1,OONDPXPKLZRGIT-UHFFFAOYSA-N,3,1,0.457,92,986,486.536,3.93,5,0.322,0.58,0.987,0.2153210883421287,0.14922726338153655,0.1993009389349599,0.04812898362003975,0.15299456856966623
EOS-3-53140,Fc1nc(-c2cccc(F)c2F)cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)n1,DDIOQIBWNABSHI-UHFFFAOYSA-N,3,1,0.474,44,384,483.841,4.336,5,0.262,0.63,1.0,0.8648567610170653,0.8527859639503804,0.8533428140634638,0.8743489137139332,0.8613336131862107
EOS-3-53141,COc1c(F)cccc1-c1cncc2nnc(-c3ccc(-c4ccsc4)cn3)n12,KDJWKUYIPQUMAJ-UHFFFAOYSA-N,3,1,0.33,96,680,403.442,4.73,5,0.434,0.82,0.999,0.3489394147076965,0.3921595504077856,0.7617366869988349,0.7361301487218148,0.559741450209033
EOS-3-53142,Cc1noc(-c2cccc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)n1,KHKOBNLUKNSULU-UHFFFAOYSA-N,3,1,0.418,14,18,402.389,3.868,5,0.441,0.8,1.0,0.48978822561853197,0.5555565074360908,0.5306096223699541,0.5082071139743678,0.5210403673497361
EOS-3-53143,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4C(F)F)n23)nc1,HZRAPGKJJFRZMT-UHFFFAOYSA-N,3,1,0.494,90,244,403.339,4.29,4,0.465,0.73,1.0,0.8736635597285998,0.8359091220615448,0.9786940579809471,0.962168460009595,0.9126087999451716
EOS-3-53144,CCn1cncc1-c1cncc(-c2nnc3cncc(COCc4cccc(-c5cncnc5)n4)n23)c1,JGSARGDTYXEUJJ-UHFFFAOYSA-N,3,1,0.31,94,165,490.531,3.639,6,0.315,0.65,0.727,0.15452162291823726,0.08570351586594475,0.2926889863614557,0.22880542800356385,0.1904298882873004
EOS-3-53145,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)nc2)cn1C,ZIPKALROBPTCQQ-UHFFFAOYSA-N,3,1,0.288,50,489,403.837,3.006,5,0.456,0.63,0.997,0.2153296552669454,0.2693698170104859,0.1446439586046193,0.16364539784798848,0.19824720718250977
EOS-3-53146,Cn1cc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)cc2)nn1,UAIBGSFZRKZHAO-UHFFFAOYSA-N,3,1,0.398,14,351,402.393,2.7,5,0.417,0.78,1.0,0.3419059694332123,0.3636573915427318,0.4719690219998629,0.41726920704543896,0.39870039750531144
EOS-3-53147,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(C(F)(F)F)c5)n34)ccc2F)cn1,QCYROQOWSPIQRU-UHFFFAOYSA-N,3,1,0.588,59,623,486.404,5.068,5,0.325,0.66,1.0,0.8199832088273593,0.8527945308751971,0.9956480021931328,0.9890771708587486,0.9143757281886095
EOS-3-53148,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)c(Cl)cn2)[nH]c1F,OVSMCPRCAUQIHD-UHFFFAOYSA-N,3,1,0.421,7,239,487.833,3.984,5,0.382,0.55,0.976,0.5810345418408608,0.7683846206565691,0.6641679802618052,0.6170070591460489,0.657648550476321
EOS-3-53149,Fc1ccc(CCc2cncc3nnc(-c4ccc(C(F)(F)F)nc4F)n23)cc1C(F)(F)F,SHGFNIXBBLBCLR-UHFFFAOYSA-N,3,1,0.406,66,225,473.327,5.287,4,0.299,0.6,1.0,0.6469398944554863,0.789536358028922,0.9996059214584333,0.9986378589541498,0.8586800082242478
EOS-3-53150,Cc1nnc(-c2cnnc(COc3cncc4nnc(-c5ccccc5F)n34)c2)o1,OZNUAYWZJPUDMH-UHFFFAOYSA-N,3,1,0.536,72,534,404.365,2.658,5,0.436,0.64,1.0,0.507453224590501,0.5990079501062299,0.20640291960797752,0.22542149270098005,0.3845713967514221
EOS-3-53151,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cc6ccccc6)nc5)n34)c2)nc1,SLNAXUAQJFKARD-UHFFFAOYSA-N,3,1,0.57,12,177,489.514,4.952,6,0.313,0.71,1.0,0.6806593105338907,0.5279367418271538,0.6915478719758755,0.6490387910355698,0.6372956788431224
EOS-3-53152,Cc1cc(COc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)n(C)n1,IHFLWCGHJOSCKR-UHFFFAOYSA-N,3,1,0.494,4,506,403.471,3.536,5,0.446,0.7,1.0,0.237492289767665,0.1990096634911932,0.23117846617778082,0.1772154067575903,0.21122395654855733
EOS-3-53153,Cn1ccnc1-c1cc(F)c(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)c(Cl)c1,XFTPMGCWVCKMNU-UHFFFAOYSA-N,3,1,0.494,73,772,488.285,4.751,5,0.332,0.64,1.0,0.8096172297991913,0.7895449249537386,0.8955520526351861,0.9062692755808375,0.8502458707422382
EOS-3-53154,Fc1ccc(-c2cscc2F)cc1Cc1cncc2nnc(-c3cccc(Cl)c3F)n12,KYYPAHGNHWZZBZ-UHFFFAOYSA-N,3,1,0.368,45,358,456.88,6.181,5,0.324,0.65,1.0,0.4438866424508259,0.6563635117538208,0.9868754711808649,0.9937718456582825,0.7702243677609486
EOS-3-53155,CCn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4)n23)ccc1Cl,ZUTSRYLKLHIYCE-UHFFFAOYSA-N,3,1,0.679,59,293,483.334,5.7,5,0.31,0.76,1.0,0.9117692413131382,0.9123774929751216,0.9046158590912207,0.9184514426701391,0.9118035090124048
EOS-3-53156,FCc1cnc(F)c(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)c1,PEUSPRFUQPTTND-UHFFFAOYSA-N,3,1,0.467,59,89,482.853,5.228,5,0.308,0.61,1.0,0.9087022822287711,0.8839781372078679,0.9594184771434446,0.9548009046672606,0.9267249503118361
EOS-3-53157,Fc1ccc(-c2cccc(CCc3cncc4nnc(-c5ccc(C(F)F)cc5Cl)n34)n2)nc1,BVUZACOQLPSWGP-UHFFFAOYSA-N,3,1,0.376,14,358,480.881,5.764,5,0.309,0.67,1.0,0.5355527379891714,0.7895534918785553,0.9320985539030909,0.9428671783976423,0.800017990542115
EOS-3-53158,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NCc6cscn6)cc5)n34)nc2)n1,NXUCUUREDCBQBX-UHFFFAOYSA-N,3,1,0.367,98,139,495.532,2.43,6,0.369,0.71,1.0,0.11344321842231513,0.10443938043999726,0.05938592282914125,0.03372798300322116,0.07774912617366869
EOS-3-53159,Cc1c(F)cncc1-c1nnc2cncc(-c3ccc(-c4ccc(F)nn4)cn3)n12,GRJNHXOAIXRZFM-UHFFFAOYSA-N,3,1,0.301,50,844,402.368,3.292,5,0.457,0.7,0.752,0.2939654581591392,0.3540024672743472,0.5931053389075458,0.6046963881844973,0.4614424131313824
EOS-3-53160,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)c2)cc1F,UWNNBWQDDNVFLQ-UHFFFAOYSA-N,3,1,0.595,57,853,468.385,5.733,5,0.244,0.75,1.0,0.9651925844698787,0.9651925844698787,0.9957850729901995,0.9979011034199163,0.9810178363374683
EOS-3-53161,O=C(O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c(F)c1,CXMSRZVOKJZUME-UHFFFAOYSA-N,3,1,0.53,90,708,399.769,3.256,4,0.549,0.83,1.0,0.5305410869714208,0.4204304023027894,0.7331231581111645,0.6719467479953396,0.5890103488451786
EOS-3-53162,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncc4F)n23)c(F)n1,YVYCRQZDTVECRI-UHFFFAOYSA-N,3,1,0.42,73,775,493.409,2.394,5,0.354,0.65,1.0,0.6895946131176752,0.5511445411555068,0.35542457679391404,0.2966811733260229,0.4732112260982797
EOS-3-53163,Cc1ccc(-c2nnc3cncc(-c4nc(Cl)ccc4OCc4ncc(F)c(Cl)n4)n23)cc1,UPPDGSJBIMMEBG-UHFFFAOYSA-N,3,1,0.347,96,140,482.306,4.977,5,0.258,0.71,0.969,0.6238006305256665,0.6855681584538414,0.6940408470975259,0.7464618600507162,0.6874678740319375
EOS-3-53164,CCn1c(-c2cnc(Cl)s2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3)n12,QFOJIXLIMQLXHL-UHFFFAOYSA-N,3,1,0.378,93,774,484.976,5.514,6,0.32,0.73,0.999,0.1762559111781235,0.33946439586046195,0.16329415393050511,0.3567781509149476,0.2589481529710095
EOS-3-53165,Cc1nc(-c2nnc3cncc(OCCc4cncc(-c5ccncc5)n4)n23)ccc1-c1cnn(C)c1,SVUUZARDBUPICG-UHFFFAOYSA-N,3,1,0.375,80,549,490.531,3.369,6,0.331,0.6,0.987,0.29914844767322324,0.13079124117606744,0.19242169830717565,0.14089164553491879,0.19081325817284628
EOS-3-53166,Cn1cncc1-c1ccnc(-c2nnc3cncc(COc4ccc(F)cc4)n23)c1,OQVBSFXKOLOZQA-UHFFFAOYSA-N,3,1,0.394,14,920,401.405,3.305,5,0.449,0.8,1.0,0.3833784524707011,0.35401103419916385,0.6116270303611816,0.5772393941470769,0.48156397779453086
EOS-3-53167,c1cc(-c2ccsc2)nc(COc2cncc3nnc(-c4ccc(-c5ccsc5)s4)n23)n1,OXYFPASWXNRRDX-UHFFFAOYSA-N,3,1,0.382,80,34,474.596,5.679,6,0.309,0.64,1.0,0.3220221369337263,0.18564526077719143,0.28910801178808854,0.3029007607429237,0.2749190425604825
EOS-3-53168,Cc1cc(Oc2cncc3nnc(-c4ccc(Cl)c(C)c4)n23)nc(-c2cc(F)c(F)c(F)c2)n1,VMAHCMBWFGFKHX-UHFFFAOYSA-N,3,1,0.418,88,607,482.853,5.728,5,0.304,0.77,1.0,0.9327753409636077,0.9436553354807758,0.9463967514221096,0.937821259680625,0.9401621718867795
EOS-3-53169,COc1ccc2c(F)cnc-2cc(COc2cncc3nnc(-c4ccc(F)cn4)n23)nc1Cl,UIOVTXBHGBUORU-UHFFFAOYSA-N,3,1,0.382,78,792,481.85,3.961,5,0.547,0.48,0.0,0.6438729353711192,0.6225926941265163,0.392767802069769,0.21132033445274484,0.4676384415050373
EOS-3-53170,COc1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(OC)cc5C)ncc4Cl)n23)cc1,XISWPVRPCAYQFB-UHFFFAOYSA-N,3,1,0.534,89,383,488.935,4.806,5,0.322,0.67,0.999,0.8869594270440683,0.8253204029881434,0.69950654513056,0.5319717634158042,0.7359395346446439
EOS-3-53171,Cc1ncc(-c2ncc(-c3nnc4cncc(-c5ccnc(-c6nc7ccccc7s6)n5)n34)cn2)o1,RFUYNGANRUUSKM-UHFFFAOYSA-N,3,1,0.257,94,557,490.512,4.278,7,0.352,0.65,1.0,0.1490559248852032,0.18988588856144198,0.05747549859502433,0.07259612089644302,0.11725335823452813
EOS-3-53172,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4ccns4)n23)c1,KCXYNUAGJNLDOI-UHFFFAOYSA-N,3,1,0.512,16,931,404.459,3.105,5,0.429,0.65,1.0,0.1907340141182921,0.13795319032280173,0.06338667671852512,0.06074806387499143,0.1132054862586526
EOS-3-53173,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)ncn2)c(F)n1,DSDPUMBDQHAJQD-UHFFFAOYSA-N,3,1,0.49,27,354,486.364,3.914,5,0.272,0.63,1.0,0.8776214789939003,0.9181773010760057,0.9551692824343774,0.8896151737372353,0.9101458090603797
EOS-3-53174,Cc1cncc(CCOc2ncnc(-c3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)n2)c1,HPMZVSLRYJUYMH-UHFFFAOYSA-N,3,1,0.31,29,882,491.519,2.764,6,0.328,0.66,1.0,0.25887533411006786,0.06797854842025906,0.07820745665136043,0.052104036734973616,0.11429134397916524
EOS-3-53175,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4Cl)n23)c(Cl)c1,WHRGLOYLXZNODN-UHFFFAOYSA-N,3,1,0.494,59,607,485.762,5.731,5,0.318,0.78,1.0,0.735093550818998,0.7683931875813858,0.9469364676855596,0.9640360496196285,0.8536148139263929
EOS-3-53176,Cc1ccc(-c2nnc3cncc(-c4cccnc4OC4CCCCC4F)n23)nc1,IJSYENLGQZITGD-UHFFFAOYSA-N,3,1,0.32,63,825,404.449,4.216,5,0.507,0.62,0.997,0.40303954492495375,0.4113494619971215,0.1601329586731547,0.29985950243300663,0.31859536700705915
EOS-3-53177,CC(C)(Cl)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)cc1F,VLUPUAZYWVGSTA-UHFFFAOYSA-N,3,1,0.505,0,751,494.958,3.863,5,0.392,0.83,1.0,0.1379274895483517,0.1342608457268179,0.09686621890206291,0.15314234802275375,0.13054922554999657
EOS-3-53178,CC(C)n1ncnc1-c1cncc2nnc(-c3cnc(-c4cccc(F)n4)nn3)n12,AVDUFCJFGDWARE-UHFFFAOYSA-N,3,1,0.26,50,105,403.385,2.017,5,0.414,0.69,0.332,0.07531183606332671,0.1240405044205332,0.017930573641285724,0.01814474676170242,0.05885691522171201
EOS-3-53179,COc1cc(-c2nnc3cncc(-c4cc(-c5nnnn5C)n(C5CCCCC5)n4)n23)ccc1Cl,GUISAIAMQJTUMJ-UHFFFAOYSA-N,3,1,0.319,78,546,490.959,4.013,6,0.363,0.63,0.998,0.20731101363854432,0.34456171612637926,0.0027157151668836953,0.025872112946336782,0.145115139469536
EOS-3-53180,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc5ccc(OC)nc5nc4Cl)n23)cc1F,VABRRWPBSYXRGH-UHFFFAOYSA-N,3,1,0.42,89,788,494.874,2.869,5,0.378,0.7,1.0,0.6469484613803029,0.5053543280104174,0.23473373997669797,0.19638818449729284,0.39585617846617777
EOS-3-53181,Fc1ccc(Oc2cncc3nnc(-c4cnc(Cl)c(-c5ccsc5)c4)n23)cc1Cl,XCHOXJVSXJFHIU-UHFFFAOYSA-N,3,1,0.582,13,995,458.305,6.153,5,0.302,0.76,1.0,0.8776300459187171,0.8589627167431979,0.9530703858542937,0.9718319512027962,0.9153737749297512
EOS-3-53182,N#Cc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1F,GQNKXJDSDKVXSE-UHFFFAOYSA-N,3,1,0.394,0,862,398.401,3.361,5,0.569,0.89,1.0,0.30170139126859025,0.35896271674319785,0.6445925570557193,0.7061544787882942,0.5028527859639503
EOS-3-53183,Clc1cncc(COc2cncc3nnc(-c4cccc(-c5c[nH]cn5)c4)n23)c1,SMNGYEMQALEDDB-UHFFFAOYSA-N,3,1,0.506,16,55,403.833,3.809,5,0.479,0.63,1.0,0.7231683914741964,0.6037797272291139,0.6859365362209581,0.7061630457131108,0.6797619251593447
EOS-3-53184,COc1cc(-c2nnc3cncc(Cc4ccc(-c5nc(C)n(C)n5)nc4)n23)ccc1-c1cnn(C)c1,FSZWUKVZVJGTHS-UHFFFAOYSA-N,3,1,0.327,85,549,492.547,3.29,6,0.348,0.64,1.0,0.16815160030155576,0.08571208279076142,0.15375059968473717,0.08516379960249469,0.12319452059488727
EOS-3-53185,COc1cccc(-c2nccnc2COc2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)c1,MKZKJLKYGUURDL-UHFFFAOYSA-N,3,1,0.469,40,25,490.527,4.236,6,0.327,0.65,1.0,0.504848879446234,0.29533616612980607,0.41051847028990474,0.2937769858131725,0.3761201254197793
EOS-3-53186,Fc1cc(F)c(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)cc1Cl,YBOPWXXNDUXBHN-UHFFFAOYSA-N,3,1,0.59,59,577,485.281,5.412,5,0.31,0.69,1.0,0.7588067987115346,0.8463779041875128,0.9605578781440615,0.971840518127613,0.8843957747926805
EOS-3-53187,Cc1nc(-c2cncc(CO)c2)cc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)n1,NHEMGPLCTGZLQG-UHFFFAOYSA-N,3,1,0.287,94,515,491.49,3.707,6,0.384,0.58,0.837,0.34894798163251317,0.4292971694880406,0.5306181892947708,0.5184445891302858,0.45682698238640257
EOS-3-53188,Cc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1c[nH]cn1,HKDFYDJTTOMQBZ-UHFFFAOYSA-N,3,1,0.494,13,145,404.38,4.56,5,0.475,0.7,1.0,0.8018213282160236,0.6855767253786581,0.9034850250154205,0.8813223905147008,0.8180513672812008
EOS-3-53189,Cc1nc(C)n(C)c1-c1cncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,DMAZQIRDBGLZJN-UHFFFAOYSA-N,3,1,0.5,89,656,494.559,3.675,6,0.367,0.77,0.996,0.32468645055170997,0.0823110136385443,0.09953053252004661,0.0764855047632102,0.1457533753683778
EOS-3-53190,Cc1ccc(-c2nnc3cncc(-c4cnc(-c5nnc(C)n5C)cc4F)n23)cn1,GLHFQFTUKNCFBR-UHFFFAOYSA-N,3,1,0.38,50,974,401.409,2.8,5,0.458,0.75,0.999,0.19074258104310876,0.27962442601603726,0.13547734905078473,0.14800219313275306,0.18846163731067095
EOS-3-53191,CCn1cncc1-c1cncc(-c2nnc3cncc(COCc4cccc(-c5ccccn5)n4)n23)c1,IYLIUROBOXQAHN-UHFFFAOYSA-N,3,1,0.309,6,297,489.543,4.244,6,0.312,0.66,0.945,0.13276163388390103,0.07876430676444383,0.3071927900760743,0.25201322733191694,0.19268298951408402
EOS-3-53192,Fc1ccc(-c2nnc3cncc(Cc4ncc(-c5ccc(F)nc5)cn4)n23)cc1,PYIIRGCEZHIVOR-UHFFFAOYSA-N,3,1,0.437,14,81,401.38,3.512,5,0.429,0.82,1.0,0.45583750257007744,0.5555650743609074,0.7146614351312452,0.7618566239462683,0.6219801590021246
EOS-3-53193,Cc1ccc(-c2nnc3cncc(OCc4cc(C5(O)CCC5)nc(C)n4)n23)cc1,UOOZKHAYRDUTQB-UHFFFAOYSA-N,3,1,0.512,63,536,402.458,3.149,5,0.547,0.71,1.0,0.6438815022959359,0.5008224247824001,0.06339524364334179,0.12331231581111644,0.3328528716331986
EOS-3-53194,Fc1ccc(Cl)cc1-c1nccnc1-c1nnc2cncc(-c3ccc(-c4nnco4)cc3F)n12,WCNLJRLFVDHRHI-UHFFFAOYSA-N,3,1,0.313,64,27,488.845,4.897,6,0.345,0.64,1.0,0.3466863134809129,0.45141696936467685,0.7734134055239531,0.851792200671647,0.6058272222602974
EOS-3-53195,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(Cl)n2)cs1,KMIROMUWRUROIX-UHFFFAOYSA-N,3,1,0.506,58,271,484.372,4.942,5,0.315,0.62,1.0,0.7790333082036872,0.8060619560002742,0.43268967171544104,0.5152148584744021,0.6332499485984511
EOS-3-53196,COc1ncc(Cl)cc1-c1nnsc1-c1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,VQJGAFJTYDQPTF-UHFFFAOYSA-N,3,1,0.265,50,719,489.912,3.214,6,0.383,0.58,0.572,0.3580974573367144,0.442567336029059,0.08025495168254404,0.1116955657597149,0.24815382770200806
EOS-3-53197,FCc1nc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1-c1ccnc(F)c1,CWVHRAQWYYBMHQ-UHFFFAOYSA-N,3,1,0.474,88,384,480.425,4.757,5,0.247,0.64,1.0,0.767870605167569,0.8359176889863614,0.9001524912617367,0.8923308889041189,0.8490679185799465
EOS-3-53198,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5cccc(Cl)n5)n4)n23)cc1,WXBJHAIKPIGEDH-UHFFFAOYSA-N,3,1,0.548,34,461,483.746,5.788,5,0.295,0.79,1.0,0.8627150298128984,0.9593156740456446,0.8562127338770475,0.9217154410252896,0.8999897196902199
EOS-3-53199,OCc1ccc(-c2nnc3cncc(OCCc4ncc(F)c(Cl)n4)n23)cn1,PFYLFGAFXVBNGB-UHFFFAOYSA-N,3,1,0.539,90,811,401.789,1.883,4,0.487,0.74,1.0,0.7501028030978,0.7596549242683847,0.2781252141731204,0.3186382016311425,0.5266302857926118
EOS-3-53200,Cc1ncsc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)sn1,SSQPTQHHMKWWJG-UHFFFAOYSA-N,3,1,0.517,16,10,475.386,5.566,5,0.331,0.63,1.0,0.5331025974916044,0.7331145911863477,0.44010006168185867,0.5897813720786786,0.5740246556096223
EOS-3-53201,Oc1c(F)cc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)cc6)c5)n34)cc2)cc1F,MGRXOVUYUNMMGH-UHFFFAOYSA-N,3,1,0.346,83,68,484.441,5.434,6,0.361,0.61,1.0,0.09112637927489549,0.4514255362894935,0.9673428825988624,0.968096771982729,0.6194978925364951
EOS-3-53202,CCc1ncc(Cc2cncc3nnc(-c4c(Cl)ccc(Cl)c4F)n23)cn1,ISKHFNMIOWAKOQ-UHFFFAOYSA-N,3,1,0.351,68,364,403.248,4.18,4,0.478,0.68,1.0,0.3489565485573299,0.4602409019258447,0.672297991912823,0.7881827839078884,0.5674195565759715
EOS-3-53203,COc1c(Cl)cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1-c1cncs1,FJBHMSDHHUYZSP-UHFFFAOYSA-N,3,1,0.598,97,71,485.356,5.204,5,0.327,0.7,1.0,0.589978411349462,0.6661298060448222,0.7592865465012679,0.7566479336577342,0.6930106743883215
EOS-3-53204,Cc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)cc3F)n12,RRLKZUREYMGKKI-UHFFFAOYSA-N,3,1,0.417,96,46,402.408,4.445,5,0.448,0.82,1.0,0.1161932012884655,0.3493163593996299,0.8435679528476459,0.8666215475292989,0.54392476526626
EOS-3-53205,Cc1cc2cc(Oc3ncccc3-c3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2n1C,VDWFVDGUIOXHCD-UHFFFAOYSA-N,3,1,0.402,83,533,466.932,6.099,6,0.314,0.7,1.0,0.6528682064286204,0.7238194777602632,0.8403553560413953,0.8227074909190597,0.7599376327873346
EOS-3-53206,CCn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccsc4)cc3)n12,WUZWGEVVMWTQDW-UHFFFAOYSA-N,3,1,0.346,8,474,484.976,5.514,6,0.3,0.73,1.0,0.1404632992940854,0.2440631211020492,0.29995373860599,0.4677797957645124,0.28806498869165925
EOS-3-53207,Fc1nc(-c2nnc3cncc(OCc4ccc(Cl)c(F)c4F)n23)ccc1-c1cscn1,LBGLRWCRACDQES-UHFFFAOYSA-N,3,1,0.444,59,445,474.855,4.96,5,0.265,0.6,1.0,0.7932287026249057,0.8097200328969913,0.9290915632924406,0.9318586800082242,0.8659747447056405
EOS-3-53208,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)cc1F,XWWQCSLMZTXUEW-UHFFFAOYSA-N,3,1,0.435,66,568,398.789,1.719,4,0.557,0.78,1.0,0.3246950174765266,0.31039681995750806,0.20994105955726133,0.22543005962579674,0.26761573915427317
EOS-3-53209,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)s2)nc(Cl)n1,XRHZJQGOROJBSZ-UHFFFAOYSA-N,3,1,0.323,76,368,482.96,5.396,6,0.31,0.64,1.0,0.1379360564731684,0.34932492632444656,0.3964858474402029,0.4235744637105065,0.3268303234870811
EOS-3-53210,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cc(F)cnc5Cl)n4)n23)cc1,ZNJWUFLMQCTOOL-UHFFFAOYSA-N,3,1,0.51,59,71,493.861,3.858,5,0.356,0.71,1.0,0.7501113700226166,0.5142296621204853,0.738057706805565,0.7007316153793435,0.6757825885820026
EOS-3-53211,CCN=c1cc(-c2cnn(CC)c2)cc(-c2nnc3cncc(OCCc4ncccn4)n23)[nH]1,PNTFEWCECPZCBQ-UHFFFAOYSA-N,3,1,0.357,92,388,456.514,2.335,5,0.38,0.41,0.915,0.07342711260365979,0.0022616681516003014,0.05182989514084024,0.02162291823726955,0.03728539853334247
EOS-3-53212,FC(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cn1,MQPOTFBJYYCZGW-UHFFFAOYSA-N,3,1,0.411,86,243,402.368,3.643,5,0.453,0.72,0.989,0.2427866493043657,0.3589712836680145,0.7406449181001987,0.6778836268932904,0.5050716194914673
EOS-3-53213,Cn1cc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cn5)n34)nc2)nn1,FBBKSBHELOEFQT-UHFFFAOYSA-N,3,1,0.456,46,128,403.381,2.095,5,0.439,0.64,1.0,0.2991570145980399,0.32967240079501064,0.24897196902199986,0.2288139949283805,0.2766538448358577
EOS-3-53214,CCn1nc(C)nc1-c1ccc(OC)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,KSCGVFRWHLLOJX-UHFFFAOYSA-N,3,1,0.323,52,269,494.559,3.946,6,0.365,0.77,1.0,0.14047186621890206,0.0564731683914742,0.05939448975395792,0.05211260365979028,0.0771130320060311
EOS-3-53215,Fc1cc(COc2cncc3nnc(-c4cc(F)c(-c5nccs5)cc4F)n23)c(F)cn1,RRURZCLXSKAZRD-UHFFFAOYSA-N,3,1,0.449,59,89,458.4,4.445,5,0.286,0.5,1.0,0.819991775752176,0.832653690631211,0.9264272496744569,0.9173377424439723,0.874102614625454
EOS-3-53216,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nn4)n23)cn1,OLKHFQAOGWFPHD-UHFFFAOYSA-N,3,1,0.444,92,617,403.381,2.095,5,0.439,0.63,1.0,0.49229833458981564,0.46024946885066137,0.25267288054280035,0.21132890137756152,0.3541373963402097
EOS-3-53217,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(CO)n5C)ncn4)n23)cc1F,JMWVMKWFOFZOQP-UHFFFAOYSA-N,3,1,0.427,36,463,490.459,0.947,5,0.336,0.66,0.984,0.4009235144952368,0.3589798505928312,0.05381742169830717,0.03574977725995477,0.21236764101158248
EOS-3-53218,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc6ccccc6nc5CO)cc4F)n23)nc1,YYWMNFJXLGNIGO-UHFFFAOYSA-N,3,1,0.276,30,737,492.47,4.398,6,0.363,0.72,0.983,0.3247035844013433,0.24899766979644986,0.707062572818861,0.6661383729696388,0.48672554999657325
EOS-3-53219,Cc1nn(C)c(-c2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)c1C(F)F,CAJIVLGBYQUYGC-UHFFFAOYSA-N,3,1,0.404,66,542,401.352,2.676,4,0.566,0.61,0.997,0.12996024946885065,0.24407168802686588,0.5742495373860599,0.4859245425262148,0.3585515043519978
EOS-3-53220,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccs5)n34)cc2Cl)nc1Cl,MKJCWGWZKQJRGK-UHFFFAOYSA-N,3,1,0.646,34,71,472.332,5.94,5,0.296,0.72,1.0,0.864865327941882,0.9335891988211912,0.9220409841683229,0.9428757453224591,0.9158428140634638
EOS-3-53221,COc1cnc(-c2cc(-c3nnc4cncc(OCc5cnc(C(F)F)cn5)n34)ccc2OC)cn1,BFHZMVVWBJVSSH-UHFFFAOYSA-N,3,1,0.505,27,535,492.446,3.572,5,0.318,0.71,1.0,0.6042252073195805,0.5555736412857241,0.6147539579192653,0.3600507161949147,0.5336508806798712
EOS-3-53222,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)cc1F,PFKATKYFKHHKBF-UHFFFAOYSA-N,3,1,0.568,57,853,468.385,5.733,5,0.244,0.74,1.0,0.9536015351929271,0.967428551847029,0.9956565691179494,0.9977126310739497,0.9785998218079639
EOS-3-53223,Cc1scnc1-c1ccc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)nc1F,VETXWXHAWZRDKA-UHFFFAOYSA-N,3,1,0.409,13,573,473.32,5.856,5,0.305,0.73,0.998,0.6714584332807896,0.7639212528270852,0.7688986361455692,0.8388989788225618,0.7607943252690015
EOS-3-53224,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5nnnn5C)n34)c2)cn1,SFALTUOVDJFKGM-UHFFFAOYSA-N,3,1,0.525,36,460,402.422,1.337,5,0.418,0.78,1.0,0.27216263450071965,0.23880302926461516,0.020543485710369406,0.024021657185936535,0.1388827016654102
EOS-3-53225,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(N5CCOCC5)cc(Cl)c4F)n23)nc1,CLNYERBPBZUQJW-UHFFFAOYSA-N,3,1,0.422,63,683,497.918,2.754,5,0.433,0.77,1.0,0.3197519018573093,0.06798711534507573,0.14465252552943594,0.17722397368240697,0.17740387910355698
EOS-3-53226,Cc1c[nH]c(-c2cncc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)n1,CFFAATBMNXCHPM-UHFFFAOYSA-N,3,1,0.483,2,879,402.393,2.998,5,0.45,0.76,1.0,0.5559248852032075,0.4913045713110822,0.4958193406894661,0.4141165787129052,0.4892913439791652
EOS-3-53227,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)nc2)n1,SOLMWPZQBAKKKZ-UHFFFAOYSA-N,3,1,0.375,50,918,400.362,1.137,5,0.465,0.8,1.0,0.08610616133232815,0.004309163182783908,0.02873346583510383,0.013672812007401823,0.03320540058940443
EOS-3-53228,Cc1ccc(-c2nnc3cncc(OCc4c(F)c(F)c(F)c(F)c4F)n23)cn1,KWXBKKOJOHEADZ-UHFFFAOYSA-N,3,1,0.553,90,255,407.302,3.769,4,0.293,0.78,1.0,0.9316616407374408,0.9351740799122746,0.9830546227126311,0.9700671646905626,0.9549893770132274
EOS-3-53229,Cc1cc(-c2cnnc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)on1,ZMCPMILUDFRLRE-UHFFFAOYSA-N,3,1,0.477,53,182,404.365,2.658,5,0.407,0.67,1.0,0.48242067027619767,0.39216811733260226,0.35543314371873075,0.30290932766774037,0.38323281474881776
EOS-3-53230,Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5nccn5C)cc4F)n23)cn1,MFHLTTKKGPHGAZ-UHFFFAOYSA-N,3,1,0.413,2,412,402.393,3.222,5,0.455,0.75,1.0,0.5643461722979919,0.5511531080803235,0.35162942910013023,0.26412685902268523,0.43281389212528276
EOS-3-53231,Cn1nc(-c2nnc3cncc(Oc4c(F)cccc4F)n23)cc1-c1ccccn1,OUUJUIJBXPWVGU-UHFFFAOYSA-N,3,1,0.393,13,956,405.368,3.657,5,0.454,0.6,1.0,0.3810653827702008,0.43834384209444177,0.5802635186073607,0.6016808306490302,0.5003383935302583
EOS-3-53232,N#Cc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,ANKCPWFAFSVMHZ-UHFFFAOYSA-N,3,1,0.385,0,862,398.401,3.361,5,0.569,0.88,1.0,0.29916558152285655,0.3394729627852786,0.6446011239805359,0.7091786032485778,0.49810456788431223
EOS-3-53233,Clc1cc(-c2ccccc2)cc(-c2cncc3nnc(-c4ccccc4Cl)n23)c1,IIURZJQGMKRGRP-UHFFFAOYSA-N,3,1,0.477,83,480,417.299,6.432,5,0.34,0.86,1.0,0.2883712562538551,0.5188043999725859,0.9631108217394284,0.9876636282639983,0.6894875265574669
EOS-3-53234,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c(Cl)n2)cs1,OUUOSOGKUBUEFH-UHFFFAOYSA-N,3,1,0.522,58,24,484.372,4.942,5,0.315,0.62,1.0,0.7231769583990131,0.8175330683297923,0.3817336029059009,0.4738965800836132,0.5990850524295799
EOS-3-53235,CC(=O)N1CCN(C(=O)c2cncc(Cc3cncc4nnc(-c5ccc(C(N)=O)cc5C)n34)c2)CC1,QWVXMAMGHUDWJH-UHFFFAOYSA-N,3,1,0.347,63,175,498.547,1.489,5,0.44,0.76,0.981,0.03006133918168734,0.0035381399492838052,0.0013278733465835104,0.0005911178123500789,0.008879617572476184
EOS-3-53236,Fc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ncccc5F)c4)n23)ccc1Cl,KNRWGDJAGLTGCS-UHFFFAOYSA-N,3,1,0.638,59,13,485.281,5.412,5,0.31,0.68,1.0,0.9472791446782263,0.9321842231512576,0.9459170036323761,0.9621770269344116,0.9468893495990679
EOS-3-53237,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)n(C)n1,GECGAWQNQKGDQH-UHFFFAOYSA-N,3,1,0.531,16,256,404.459,2.931,5,0.444,0.61,1.0,0.27457850729901995,0.1728462751010897,0.0615019532588582,0.050767596463573435,0.13992358303063532
EOS-3-53238,Cn1ccnc1-c1ccnc(-c2nnc3cncc(OCc4nnccc4F)n23)c1,XGZLFQSTMNGLSL-UHFFFAOYSA-N,3,1,0.409,7,587,403.381,2.095,5,0.439,0.67,1.0,0.362569392091015,0.3104053868823247,0.18257830169282435,0.17454252621478994,0.25752390172023853
EOS-3-53239,Cc1cc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4F)n23)ccc1Cl,WFTLXLZRNSIQKK-UHFFFAOYSA-N,3,1,0.372,66,225,403.795,4.816,4,0.459,0.76,1.0,0.5074617915153177,0.7190905352614625,0.9730741553012131,0.9685422520731958,0.7920421835377973
EOS-3-53240,CCN=c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)[nH]1,AJTCPLVZXKQRBG-UHFFFAOYSA-N,3,1,0.473,90,811,414.832,2.244,4,0.485,0.43,0.764,0.332396682886711,0.16456205880337194,0.3292611884038106,0.31864676855595914,0.28621667466246314
EOS-3-53241,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cnn2)ccn1,WXJUKCVHTGMZDW-UHFFFAOYSA-N,3,1,0.411,6,297,483.492,3.88,6,0.325,0.48,0.999,0.6498697827427866,0.5990165170310465,0.464952710575012,0.4269155643890069,0.535188643684463
EOS-3-53242,CC(c1ccc(F)c(F)c1)c1cncc2nnc(-c3ccc(-c4ccccc4F)c(F)c3)n12,CDTILNKOUAZZMI-UHFFFAOYSA-N,3,1,0.413,83,853,448.423,6.167,5,0.309,0.68,1.0,0.4535072990199438,0.7378692344595984,0.9958707422383661,0.9977211979987664,0.7962421184291686
EOS-3-53243,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)ccn2)n1,WTHJWCZLSPOTTK-UHFFFAOYSA-N,3,1,0.586,88,692,466.398,4.426,5,0.209,0.61,1.0,0.9417534781714756,0.9164039476389555,0.9405626756219587,0.9289030909464738,0.931905798094716
EOS-3-53244,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccn(C)n5)n34)cn2)s1,HRTGMVKRWPPJNU-UHFFFAOYSA-N,3,1,0.438,92,464,404.459,2.931,5,0.444,0.67,1.0,0.2318552532382976,0.3002707148242067,0.109913645397848,0.06701905284079226,0.17726466657528614
EOS-3-53245,Cc1nc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)ncc1F,PVCPVKWYRVFVJM-UHFFFAOYSA-N,3,1,0.326,50,261,402.368,3.292,5,0.427,0.73,1.0,0.31486875471180864,0.40641491330272084,0.4958279076142828,0.5152234253992187,0.43308375025700774
EOS-3-53246,Cc1ncc(-c2ncc(-c3nnc4cncc(-c5cnn(CCF)c5)n34)cn2)cn1,KSJQKIKKWWWAFQ-UHFFFAOYSA-N,3,1,0.26,50,489,402.397,2.18,5,0.44,0.7,1.0,0.12418614214241656,0.04547323692687273,0.06739599753272565,0.0607566307998081,0.07445300185045577
EOS-3-53247,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)ccc2F)nc1,WWWMQOVUVVCWBP-UHFFFAOYSA-N,3,1,0.578,88,607,484.388,4.565,5,0.26,0.64,1.0,0.9829261188403811,0.9770320745665136,0.9634877664313618,0.9591871701733946,0.9706582825029128
EOS-3-53248,FC(F)c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cn1,QCXLXJDBJDHXMB-UHFFFAOYSA-N,3,1,0.707,48,281,401.804,4.399,4,0.479,0.82,1.0,0.9348913713933247,0.9674371187718457,0.9314217668425742,0.9227006373792064,0.9391127235967378
EOS-3-53249,Cc1nc(F)cc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,AICVDVXRTQENDT-UHFFFAOYSA-N,3,1,0.489,72,22,404.365,2.658,5,0.407,0.64,1.0,0.7531097937084504,0.6134860530463985,0.2744585703515866,0.2198187238708793,0.46521828524432873
EOS-3-53250,Clc1cccc(-c2sccc2-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,KGVPNOAFFZYCIU-UHFFFAOYSA-N,3,1,0.372,32,20,466.957,6.297,6,0.305,0.76,1.0,0.17347166061270647,0.3686433417860325,0.7433263655678157,0.8208142005345761,0.5265638921252827
EOS-3-53251,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(Cl)cn5)n34)nc2F)cs1,XYYONGFNDHCDLC-UHFFFAOYSA-N,3,1,0.433,58,814,485.907,4.566,5,0.325,0.59,1.0,0.7078250291275444,0.7054605578781441,0.577342197244877,0.5958296209992461,0.6466143513124529
EOS-3-53252,COc1cc(F)cc(Cc2ccc(-c3nnc4cncc(-c5cccc(-c6cncnc6)n5)n34)cn2)c1,LTOFWBHDNSAKQH-UHFFFAOYSA-N,3,1,0.324,32,515,490.502,4.444,6,0.337,0.64,0.999,0.46257110547597835,0.5142382290453019,0.6969193338359263,0.6283925022274005,0.5755302926461517
EOS-3-53253,N#Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nn[nH]n5)n4)n23)cc1-c1ncc(F)cn1,OIWJDWYIFCHFRX-UHFFFAOYSA-N,3,1,0.455,56,82,492.438,2.413,6,0.362,0.59,1.0,0.689603180042492,0.5849153587828113,0.29996230553080666,0.29668974025083955,0.4677926461517374
EOS-3-53254,Cn1ccc(-c2cc(F)ccc2-c2nnc3cncc(OCc4ccnnc4)n23)n1,SOTDDJGXTSTJCV-UHFFFAOYSA-N,3,1,0.5,36,659,402.393,2.7,5,0.446,0.7,1.0,0.5928825988623124,0.5279453087519704,0.5099633335617847,0.4615173737235282,0.5230771537248989
EOS-3-53255,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C)c(F)c5)n34)c(Cl)c(C)n2)s1,OVUANYDGKBOUIS-UHFFFAOYSA-N,3,1,0.5,16,97,480.956,5.607,5,0.325,0.65,1.0,0.8121958741690083,0.8060705229250908,0.6416712356932356,0.6201853882530327,0.7200307552600919
EOS-3-53256,Fc1cncc(COc2cncc3nnc(-c4nc(-c5ccccc5)n[nH]4)n23)c1F,BFZCYTXVSPGSTQ-UHFFFAOYSA-N,3,1,0.429,16,772,406.356,2.829,5,0.478,0.53,1.0,0.6590106915221712,0.47345109999314644,0.48589027482694813,0.531980330340621,0.5375830991707217
EOS-3-53257,c1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5c[nH]c(C6COC6)n5)s4)n23)cc1,SIEUHKFPXYKVOG-UHFFFAOYSA-N,3,1,0.26,64,176,478.541,4.481,7,0.389,0.42,0.003,0.1517973408265369,0.14163696799396888,0.1354859159756014,0.20818483996984444,0.1592762661914879
EOS-3-53258,Cn1cccc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,SOOLDIMAGRZLJU-UHFFFAOYSA-N,3,1,0.514,13,417,402.845,4.638,5,0.438,0.84,1.0,0.7231855253238297,0.8558100884106641,0.7930659310533891,0.7881913508327051,0.7900632239051469
EOS-3-53259,CN(C)Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)c2)ccc1F,NISFMVSUMGRNPT-UHFFFAOYSA-N,3,1,0.394,59,153,491.477,4.306,5,0.314,0.72,1.0,0.5048574463710507,0.5188129668974025,0.8861798368857515,0.8102854499348914,0.6800339250222741
EOS-3-53260,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cc(Cl)ccn5)n4)n23)cc1Cl,IPDKHXIWOFGFTO-UHFFFAOYSA-N,3,1,0.353,96,802,494.317,4.721,5,0.388,0.76,1.0,0.31737029675827566,0.38289013775615105,0.7480810088410664,0.8016242889452402,0.5624914330751833
EOS-3-53261,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4scnc4-c4ccccc4)n23)nc1,QWVFVTXBRJYNSY-UHFFFAOYSA-N,3,1,0.36,30,737,466.957,6.297,6,0.305,0.77,1.0,0.07957816462202728,0.2953447330546227,0.6886522513878418,0.8148430539373587,0.4696045507504626
EOS-3-53262,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6ccsc6)cn5)n34)cc2)cs1,LXBYHGYOBPXUDR-UHFFFAOYSA-N,3,1,0.478,40,25,483.582,5.321,6,0.317,0.68,1.0,0.4897967925433486,0.460258035775478,0.37428894524021655,0.3125214173120417,0.4092162977177712
EOS-3-53263,Clc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)cc2)ccn1,XIOXSECTAMXPKZ-UHFFFAOYSA-N,3,1,0.371,69,958,449.901,6.434,6,0.29,0.79,1.0,0.2616081831265849,0.3636659584675485,0.9321071208279076,0.9475618531971763,0.6262357789048043
EOS-3-53264,O=C(c1cnc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)cn1)N1CC(F)(F)C1,SAODNOHHOFIGOD-UHFFFAOYSA-N,3,1,0.389,68,127,493.356,2.06,5,0.384,0.61,0.991,0.3581060242615311,0.4514341032143102,0.3664759098074155,0.369842711260366,0.3864646871359057
EOS-3-53265,Cc1cc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)c(Cl)c5)n34)c2)cnc1Cl,NJWXIBROBPQGLA-UHFFFAOYSA-N,3,1,0.506,97,89,481.318,5.582,5,0.305,0.66,1.0,0.8538568295524639,0.8326622575560277,0.9344887259269412,0.9352683160852581,0.8890690322801728
EOS-3-53266,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)nc3OC(F)F)n12,DMQKDLDGXFEUPY-UHFFFAOYSA-N,3,1,0.495,35,710,485.451,4.067,5,0.324,0.53,1.0,0.7732934685765198,0.8463864711123296,0.7146700020560619,0.6518573093002535,0.7465518127612912
EOS-3-53267,Fc1cc(-c2nnco2)cc(-c2nnc3cncc(OCCc4cncnc4)n23)n1,LALYZTHXFZPXHN-UHFFFAOYSA-N,3,1,0.409,31,361,405.353,1.787,5,0.385,0.61,0.99,0.6155506819272154,0.3589884175176479,0.15677472414502092,0.15857377835652114,0.32247190048660135
EOS-3-53268,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)nn4C)n23)cn1,YUBXZMBPBRMYIS-UHFFFAOYSA-N,3,1,0.44,36,728,403.41,0.998,5,0.422,0.68,1.0,0.20160544171064354,0.22866835720649717,0.01094852991570146,0.005251524912617367,0.11161846343636488
EOS-3-53269,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ncnc(-c5nc(Cl)ccc5Cl)n4)n23)cc1,SUDONBGEXDVKFW-UHFFFAOYSA-N,3,1,0.349,29,704,489.248,5.031,5,0.328,0.71,0.984,0.4999057638270167,0.6855852923034748,0.9499520252210266,0.9527876773353438,0.7720576896717154
EOS-3-53270,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Br)cn4)n23)c(F)c1,VAJHFELTOKRALP-UHFFFAOYSA-N,3,1,0.511,26,563,494.328,4.11,5,0.354,0.73,1.0,0.8018298951408402,0.7282742786649304,0.6416798026180522,0.607951819614831,0.6949339490096635
EOS-3-53271,CCc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)nc2)cn1,ANJDERUFBGBGKW-UHFFFAOYSA-N,3,1,0.315,69,532,475.581,5.91,6,0.308,0.72,1.0,0.09581248714961277,0.15692892879172093,0.5135871427592351,0.43629634706325815,0.30065622644095674
EOS-3-53272,Fc1cc(-c2cncn2C(F)F)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,PCZAODCCDKSGTK-UHFFFAOYSA-N,3,1,0.533,26,626,485.857,4.859,5,0.306,0.62,1.0,0.8959803988760194,0.8839867041326845,0.9464053183469262,0.9352768830100747,0.9154123260914262
EOS-3-53273,CC(F)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cn1,IACIOYPOQZXTGJ-UHFFFAOYSA-N,3,1,0.457,68,455,403.343,3.616,4,0.484,0.63,1.0,0.3372027277088616,0.45594030566787747,0.9363220478377082,0.8188695086011926,0.63708364745391
EOS-3-53274,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)ccc1-c1cccc(C)n1,QPWVVNKHWAPVRZ-UHFFFAOYSA-N,3,1,0.423,49,954,476.993,5.456,5,0.31,0.61,0.807,0.5840158316770612,0.6320248783496676,0.29269755328627234,0.29986806935782334,0.4521515831677061
EOS-3-53275,Fc1cc(-c2ccsc2)cnc1Oc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,QXGPFNOGDARDQK-UHFFFAOYSA-N,3,1,0.414,41,592,472.53,5.97,6,0.308,0.7,1.0,0.7531183606332671,0.7146785689808787,0.72519018573093,0.6979130971146598,0.7227250531149338
EOS-3-53276,FC(F)c1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)cn1,LHNXEVKBYPUIEB-UHFFFAOYSA-N,3,1,0.371,96,478,401.38,4.248,5,0.448,0.85,1.0,0.2745870742238366,0.34457028305119597,0.7781423480227537,0.7464704269755329,0.5359425330683298
EOS-3-53277,Cn1cc(-c2cc(F)c(F)cc2-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)cn1,OEYNGQIZVRSMBY-UHFFFAOYSA-N,3,1,0.327,10,151,489.877,4.371,6,0.341,0.6,1.0,0.025392365156603387,0.2083733123158111,0.8139435268316085,0.8328250291275444,0.47013355835789183
EOS-3-53278,Cc1csc(-c2nc(C)sc2-c2nnc3cncc(-c4cc(C)nn4C)n23)n1,WDISRFNGUWCFGY-UHFFFAOYSA-N,3,1,0.282,50,974,408.516,3.697,5,0.452,0.49,0.999,0.061956000274141595,0.006836406003700912,0.006682201357000891,0.0034867384003837982,0.0197403365088068
EOS-3-53279,Fc1cnnc(-c2cncc(-c3nnc4cncc(OCCc5ncc(Cl)cc5Cl)n34)c2)c1,CQYLBFCFTVXNMP-UHFFFAOYSA-N,3,1,0.449,87,307,483.294,4.106,5,0.356,0.43,1.0,0.7411246658899322,0.7895620588033719,0.6446096909053526,0.7490576382701666,0.7310885134672058
EOS-3-53280,CCOC(=O)c1ccc(-c2nnc3cncc(-c4cccc(OCc5cccc(Cl)c5)c4)n23)cc1,PTFOYQVHBFAOSR-UHFFFAOYSA-N,3,1,0.392,79,504,484.943,5.867,5,0.269,0.9,1.0,0.5536632170516071,0.6465800836131862,0.8484168322938798,0.795181961483106,0.7109605236104448
EOS-3-53281,Fc1cc(-c2nsc(-c3cncc4nnc(-c5ccc(C(F)F)cn5)n34)n2)c(F)cc1Cl,FEAXCSKACQMFOQ-UHFFFAOYSA-N,3,1,0.277,45,315,477.834,5.241,5,0.26,0.7,0.977,0.28293125899527105,0.4383524090192584,0.9190339935576726,0.9468422315125763,0.6467899732711946
EOS-3-53282,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)c(Cl)n2)nc1,AYHALHKJNYHCOP-UHFFFAOYSA-N,3,1,0.494,73,665,486.269,4.807,5,0.33,0.59,1.0,0.8888784182030018,0.9164125145637722,0.8533513809882805,0.9039562058803372,0.8906496299088479
EOS-3-53283,CCOc1cc(Br)c(F)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,NPLVYXGFLAPZQM-UHFFFAOYSA-N,3,1,0.39,0,999,496.34,4.651,5,0.421,0.86,0.988,0.5305496538962374,0.41594133369885544,0.5708142005345761,0.5709941059557261,0.5220748235213488
EOS-3-53284,Fc1cc(-c2nnc3cncc(OCc4nccs4)n23)ccc1-c1ccccn1,JUVNMMLKVQAEJO-UHFFFAOYSA-N,3,1,0.716,97,850,404.43,4.028,5,0.44,0.7,1.0,0.6623774929751216,0.7054691248029608,0.5373517922006716,0.5481889520937564,0.6133468405181276
EOS-3-53285,COc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cnc2Cl)cn1,BXLRBHJJDOZJJJ-UHFFFAOYSA-N,3,1,0.456,4,390,485.356,5.204,5,0.306,0.7,1.0,0.7501199369474334,0.8060790898499075,0.7456223014186828,0.719878692344596,0.7554250051401549
EOS-3-53286,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccnc(C(F)(F)F)n5)n34)c2)nc1F,CSIAWBMWNUPIQN-UHFFFAOYSA-N,3,1,0.479,27,679,485.376,4.519,5,0.267,0.66,1.0,0.8515951614008636,0.9013261599616201,0.9464138852717429,0.8840980741553012,0.895858320197382
EOS-3-53287,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1-c1nncs1,ZYBFVDFJKMNQPO-UHFFFAOYSA-N,3,1,0.511,81,117,488.533,4.546,6,0.336,0.65,1.0,0.7106949489411281,0.7004574737852101,0.4288088547734905,0.42060174079912277,0.5651407545747379
EOS-3-53288,c1cc(-c2ccsc2)cc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,BGDPJZRXPSERPZ-UHFFFAOYSA-N,3,1,0.324,69,484,437.553,6.31,6,0.324,0.68,1.0,0.12692755808375025,0.16457062572818862,0.7804468507984373,0.8079980810088411,0.4699857789048043
EOS-3-53289,FCc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)c(Cl)n1,CJTBKOUAFOYMGR-UHFFFAOYSA-N,3,1,0.462,65,262,481.854,3.317,5,0.255,0.53,1.0,0.8422829141251457,0.8496333356178466,0.20641148653279418,0.2672366527311356,0.5413910972517305
EOS-3-53290,FC(F)(F)c1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ns5)n34)c2)nn1,LWZJFJPBQLOINN-UHFFFAOYSA-N,3,1,0.404,46,52,490.858,4.351,5,0.358,0.66,1.0,0.5643547392228085,0.5743694743334933,0.8248492221232266,0.7385288876704817,0.6755255808375026
EOS-3-53291,Fc1ccc(Oc2ccccc2-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)cc1,WQNXGUQBFQNZKK-UHFFFAOYSA-N,3,1,0.38,21,695,459.484,6.452,6,0.296,0.78,1.0,0.5432629703241725,0.5898413405523953,0.9115550681927216,0.9140052086902886,0.7396661469398945
EOS-3-53292,Fc1ccc(Cl)cc1-c1ncnnc1-c1nnc2cncc(-c3ccc(-c4ccsc4)cn3)n12,WQYRIKFARIGYNN-UHFFFAOYSA-N,3,1,0.318,10,543,486.923,5.226,6,0.337,0.64,0.935,0.21533822219176205,0.33448701254197793,0.6292834624083339,0.7741587279830032,0.4883168562812693
EOS-3-53293,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnc5cc(C(F)(F)F)ccc5c4)n23)cc1,NFKGMEOTQNNASL-UHFFFAOYSA-N,3,1,0.305,96,192,487.42,5.621,6,0.302,0.82,0.995,0.4512370639435268,0.6368566239462683,0.9865927626619149,0.9816410801178809,0.7640818826673977
EOS-3-53294,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1cnc(Cl)nc1,ZWOYEUZKALKCNU-UHFFFAOYSA-N,3,1,0.5,11,639,482.306,4.711,5,0.256,0.65,1.0,0.9560431087656774,0.9661006785004455,0.8078438763621411,0.8464807072853129,0.8941170927283941
EOS-3-53295,Fc1cc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cn2)c(Cl)cn1,SRXUBQCJMBVRBA-UHFFFAOYSA-N,3,1,0.462,85,674,486.82,4.44,5,0.274,0.67,1.0,0.5048660132958673,0.7054776917277774,0.9562658488109108,0.9289116578712905,0.7738803029264615
EOS-3-53296,Cc1nc(-c2ccc(F)cn2)cc(-c2nnc3cncc(Oc4cncnc4)n23)n1,KXLLKYNZFZEXNN-UHFFFAOYSA-N,3,1,0.355,46,330,401.365,2.673,5,0.448,0.75,1.0,0.6714670002056062,0.532417243506271,0.23827187992598178,0.2344338976081146,0.4191475053114934
EOS-3-53297,Fc1cc(F)c(F)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)c1,BCLHMPNSYRNQEY-UHFFFAOYSA-N,3,1,0.459,88,236,471.801,5.855,5,0.243,0.78,1.0,0.9658265369063121,0.9788739634020972,0.991904256048249,0.9950397505311493,0.9829111267219519
EOS-3-53298,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cnc1F,QLROXGLLSXHNDU-UHFFFAOYSA-N,3,1,0.494,68,255,408.29,3.515,4,0.372,0.56,1.0,0.8992272633815366,0.9083253375368378,0.9644386950860119,0.9395432115687753,0.9278836268932904
EOS-3-53299,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,ZLNHFVQKAKKBEI-UHFFFAOYSA-N,3,1,0.617,72,386,403.377,2.997,5,0.426,0.7,1.0,0.8715732300733329,0.7510537317524502,0.4787882941539305,0.45211945719964364,0.6383836782948392
EOS-3-53300,OCn1ncc(-c2cncc3nnc(-c4ccccc4Cl)n23)c1-c1ccccc1,OTVGNOLETSDREP-UHFFFAOYSA-N,3,1,0.437,30,616,402.845,3.925,5,0.492,0.74,0.999,0.12693612500856694,0.33948152971009526,0.5963779041875128,0.7436519087108492,0.45161186690425603
EOS-3-53301,COc1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CCCc6ccccc65)cc4)n23)cn1,SZMHPXKCMABZTP-UHFFFAOYSA-N,3,1,0.451,62,637,492.539,4.795,6,0.363,0.71,1.0,0.47997052977863064,0.2083818792406278,0.4787968610787472,0.3536083887327805,0.3801894147076965
EOS-3-53302,CCC1(c2ncnc(-c3cncc4nnc(-c5ccc(F)nc5)n34)n2)CCCCC1,GUNTXKCGSUCUNK-UHFFFAOYSA-N,3,1,0.326,78,792,404.453,3.789,5,0.478,0.7,0.335,0.30961722979919126,0.36865190871084913,0.00042834624083339047,0.012165033239668289,0.17271562949763553
EOS-3-53303,Cc1ccc(-c2nnc3cncc(OCc4c(F)c(F)c(F)c(F)c4F)n23)nc1,HSHCGNLVTZRHJW-UHFFFAOYSA-N,3,1,0.457,90,244,407.302,3.769,4,0.293,0.74,1.0,0.8147316839147419,0.8019326982386402,0.9772119799876636,0.9640446165444452,0.8894802446713728
EOS-3-53304,Clc1cc(-n2cccc2)ccc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,SFGOHCRDWGYFMN-UHFFFAOYSA-N,3,1,0.489,77,603,478.943,5.876,6,0.299,0.73,1.0,0.7441830580494826,0.6709701185662394,0.885006168185868,0.8856829552463847,0.7964605750119937
EOS-3-53305,FC(F)(F)c1ccccc1-c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,BPAPTJLOCGQDAY-UHFFFAOYSA-N,3,1,0.32,30,668,483.457,5.725,6,0.32,0.69,0.882,0.03387362072510452,0.24408025495168253,0.9705040778562127,0.9502775683640601,0.549683880474265
EOS-3-53306,Cn1c(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc(Cl)n2)cnc1Cl,IWPGHUBTJZYOFH-UHFFFAOYSA-N,3,1,0.494,59,607,488.285,4.751,5,0.332,0.64,0.989,0.7351021177438147,0.7639298197519019,0.8906003700911521,0.9140137756151052,0.8259115208004935
EOS-3-53307,CCc1ncsc1-c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(Cl)n5)n4)n23)cc1,OHFSOOFCJXRIJY-UHFFFAOYSA-N,3,1,0.292,3,289,485.964,4.773,6,0.324,0.6,0.942,0.09336234665204578,0.23337159893084777,0.16953087519703927,0.2433177986429991,0.18489565485573298
EOS-3-53308,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(F)cn4)n23)cnn1,VRTIRDHQXHJGFW-UHFFFAOYSA-N,3,1,0.394,53,382,403.381,2.095,5,0.439,0.63,0.999,0.5587091357686245,0.4018744431498869,0.19243026523199233,0.18834384209444177,0.3353394215612363
EOS-3-53309,Cc1ccc(-c2nnc3cncc(OCc4n[nH]c(-c5cnccn5)n4)n23)c(F)c1,LSMIHPDQHXSZLF-UHFFFAOYSA-N,3,1,0.472,7,540,403.381,2.393,5,0.475,0.67,0.999,0.5753632376122267,0.5990250839558632,0.20272770886162703,0.219827290795696,0.39923583030635323
EOS-3-53310,Cc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(Cl)nc4)n23)nn1,HISJGNCGVHBECO-UHFFFAOYSA-N,3,1,0.287,53,356,402.809,2.457,5,0.419,0.69,0.332,0.18788122815434172,0.26937838393530256,0.09451888150229594,0.18835240901925845,0.18503272565279966
EOS-3-53311,NC(=O)c1ccc(-c2nnc3cncc(-c4ncn(-c5cccc(F)c5)n4)n23)cn1,XWSHJOFDILMVIT-UHFFFAOYSA-N,3,1,0.36,22,681,401.365,1.672,5,0.485,0.69,0.745,0.025400932081420052,0.14164553491878557,0.13254746076348434,0.1612980604482215,0.11522299705297787
EOS-3-53312,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5conn5)c4)n23)c(F)c1,YASOOKJEWVRABU-UHFFFAOYSA-N,3,1,0.512,16,389,403.377,3.263,5,0.44,0.73,1.0,0.6293348639572339,0.6037882941539305,0.5605938592282914,0.5152319923240354,0.5772372524158729
EOS-3-53313,Cc1ccncc1-c1ccc(-c2nnc3cncc(Oc4c(F)cccc4Cl)n23)c(Cl)c1,MJYBZTFRHUGOMT-UHFFFAOYSA-N,3,1,0.442,13,145,466.303,6.4,5,0.307,0.75,1.0,0.8603848262627647,0.9062521417312042,0.9666746624631622,0.9738451785347132,0.926789202247961
EOS-3-53314,CCc1nc(-c2nnc3cncc(OCc4scc(Cl)c4F)n23)ccc1-c1cnc(C)nc1,PMKVGJBRNXVFEY-UHFFFAOYSA-N,3,1,0.381,51,690,481.944,4.947,5,0.339,0.57,0.999,0.5753718045370434,0.6320334452744842,0.4401086286066753,0.4206103077239394,0.5170310465355356
EOS-3-53315,Cn1cncc1COc1cncc2nnc(-c3cc(-c4ccc(F)cc4)ccn3)n12,PDBXJXCAALYKRX-UHFFFAOYSA-N,3,1,0.448,46,160,401.405,3.305,5,0.449,0.8,1.0,0.4848793776985813,0.49131313823589884,0.5963864711123296,0.5772479610718936,0.5374567370296758
EOS-3-53316,Clc1cc(Cl)cc(OCc2cncc3nnc(-c4cncc(-c5ccc(Cl)nc5)c4)n23)c1,FPDNIDRRKFLTSN-UHFFFAOYSA-N,3,1,0.378,14,884,483.746,5.788,5,0.295,0.76,1.0,0.40963607703378796,0.589849907477212,0.9371273387704749,0.9634106641080118,0.7250059968473717
EOS-3-53317,Fc1cc(Cl)ccc1-c1nnc2cncc(-c3[nH]c(-c4ccccc4)nc3-c3ccccc3)n12,ZUPTVTHZEBZJAU-UHFFFAOYSA-N,3,1,0.404,93,107,466.907,6.308,6,0.33,0.72,1.0,0.2721712014255363,0.5606623946268248,0.8578575834418477,0.9194452059488726,0.6525340963607703
EOS-3-53318,COc1ncc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)nc4)n23)cc1-c1cncn1C,LZTVXZDLDUBWSM-UHFFFAOYSA-N,3,1,0.458,80,34,492.503,3.026,6,0.328,0.7,1.0,0.3695685696662326,0.13426941265163456,0.21335069563429512,0.11170413268453155,0.20722320265917343
EOS-3-53319,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6)nc5)n34)nc2)cn1,OGVKUPOQYLGNHY-UHFFFAOYSA-N,3,1,0.39,32,20,479.906,5.77,6,0.298,0.67,1.0,0.26161675005140156,0.46909053526146255,0.8861884038105682,0.9140223425399219,0.6327295079158386
EOS-3-53320,Fc1ccc(-c2ncnnc2-c2nnc3cncc(Cc4cccc(F)c4)n23)cc1,AAUHVKJNPLMYNY-UHFFFAOYSA-N,3,1,0.361,19,358,401.38,3.512,5,0.458,0.75,0.999,0.3272051264478103,0.37809265985881707,0.6383986704132685,0.7764289630594202,0.530031354944829
EOS-3-53321,Cc1csc(COc2cncc3nnc(-c4ccc(-c5c[nH]c(C)n5)nc4)n23)n1,HMCJTEVNACQFTI-UHFFFAOYSA-N,3,1,0.455,7,464,404.459,3.229,5,0.479,0.64,1.0,0.33721129463367827,0.3540196011239805,0.08259372215749435,0.04955109313960661,0.20584392776368993
EOS-3-53322,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ccc2Cl)nc1,AADPKGVDDQLQJJ-UHFFFAOYSA-N,3,1,0.518,37,141,487.347,5.377,5,0.32,0.71,1.0,0.9706754163525461,0.9734168322938798,0.7456308683434995,0.8286957713659104,0.8796047220889589
EOS-3-53323,COc1nc(-c2ccc(CO)nn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,GTWQWHUIDRXTBT-UHFFFAOYSA-N,3,1,0.434,53,602,491.899,2.209,5,0.34,0.61,0.954,0.6070351586594476,0.5142467959701186,0.09953909944486328,0.08517236652731136,0.32649835515043524
EOS-3-53324,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)c2)cc1,BKMWHKALLWFCQZ-UHFFFAOYSA-N,3,1,0.471,59,560,483.746,5.788,5,0.295,0.77,1.0,0.6865619217325749,0.7767630731272702,0.9291001302172572,0.9609519566856282,0.8383442704406827
EOS-3-53325,Cc1ccnc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccc(F)c(F)c5F)c4)n23)n1,RRPWJGGMSBEHBT-UHFFFAOYSA-N,3,1,0.432,59,756,483.841,4.601,5,0.266,0.61,1.0,0.8556815845384141,0.8813909259132342,0.8694143650195326,0.8633147145500651,0.8674503975053116
EOS-3-53326,Fc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1F,LLZUSHSNIDLQDJ-UHFFFAOYSA-N,3,1,0.36,21,107,461.475,6.466,6,0.302,0.75,1.0,0.37423754369131657,0.5371290521554383,0.95048317455966,0.9628538139949284,0.7061758961003358
EOS-3-53327,COc1ncc(-c2cncc3nnc(-c4cncc(-c5cncn5C)c4)n23)cc1F,BMRNDFGFJYUMQN-UHFFFAOYSA-N,3,1,0.302,82,859,402.393,2.797,5,0.456,0.71,1.0,0.32993797546432735,0.35899698444246453,0.4858988417517648,0.3795576040024673,0.388597851415256
EOS-3-53328,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)cc(F)n2)nc1,AGCLOQONOUQKRG-UHFFFAOYSA-N,3,1,0.518,73,665,486.269,4.807,5,0.33,0.58,1.0,0.9214327325063395,0.9627767116715784,0.8637087930916318,0.9062778425056541,0.913549019943801
EOS-3-53329,Cc1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)cn1,HNPARJLAHTZGTK-UHFFFAOYSA-N,3,1,0.675,90,281,401.257,3.818,4,0.473,0.78,1.0,0.907237338085121,0.9103385648687548,0.6474796107189363,0.6808135151805907,0.7864672572133508
EOS-3-53331,Cc1csc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)n1,NUZXAMMZWXXNAG-UHFFFAOYSA-N,3,1,0.483,7,464,402.443,2.987,5,0.442,0.8,1.0,0.35811459118634775,0.3968113905832362,0.06521143170447537,0.04813755054485642,0.21706874100472895
EOS-3-53332,Cc1noc(-c2cncc(-c3cncc4nnc(-c5ccc(C(O)F)cc5)n34)n2)n1,WYVUZRLFMAOWDS-UHFFFAOYSA-N,3,1,0.351,50,845,404.365,2.567,5,0.48,0.6,1.0,0.3123243780412583,0.30027928174902335,0.41405661023918855,0.40139469536015354,0.35701374134740593
EOS-3-53334,Fc1cncc(-c2nnc3cncc(Cc4cc(F)c(-c5cccnn5)cn4)n23)c1,HKMPWUTZJLTLIM-UHFFFAOYSA-N,3,1,0.366,85,81,402.368,2.907,5,0.456,0.65,1.0,0.3148773216366253,0.3394900966349119,0.5898327736275787,0.6461860050716195,0.47259654924268385
EOS-3-53335,Cn1ccnc1COc1cncc2nnc(-c3ccnc(-c4ccc(F)cn4)c3)n12,KYFVCWXLIWBJPQ-UHFFFAOYSA-N,3,1,0.453,24,199,402.393,2.7,5,0.446,0.71,1.0,0.6469570283051196,0.5142553628949352,0.3219621684600096,0.2876087999451717,0.44269583990130906
EOS-3-53336,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(Cl)c5)n34)cc2Cl)s1,NRCGRJZRZOKUDI-UHFFFAOYSA-N,3,1,0.667,59,96,488.335,4.747,5,0.372,0.66,1.0,0.8888869851278185,0.8463950380371462,0.8502929888287301,0.8827702008087177,0.8670863032006031
EOS-3-53337,OCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,HKYLWRNKQKAFMW-UHFFFAOYSA-N,3,1,0.836,90,281,399.813,3.093,4,0.536,0.84,1.0,0.9596840518127613,0.9321927900760743,0.8420944417791789,0.8328335960523611,0.8917012199300939
EOS-3-53338,Cn1ccc(-c2ccc(-c3nnc4cncc(COc5cccnn5)n34)cc2F)n1,KIADOUBORHZRHE-UHFFFAOYSA-N,3,1,0.39,72,487,402.393,2.7,5,0.446,0.68,1.0,0.48488794462339796,0.5008309917072168,0.4363991501610582,0.3826930984853677,0.4512027962442602
EOS-3-53339,Cn1cc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c2cc(F)ccc21,SALJYRFJECSBJD-UHFFFAOYSA-N,3,1,0.427,14,319,400.417,3.112,5,0.502,0.78,1.0,0.34421903913371255,0.44721060927969297,0.6806678774587074,0.6227897333972997,0.5237218148173531
EOS-3-53340,Cn1nnnc1-c1cccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)c1,MTEBZJIRYUAXND-UHFFFAOYSA-N,3,1,0.584,91,660,493.506,3.804,6,0.33,0.73,1.0,0.5587177026934411,0.5142639298197519,0.44732197930230966,0.47976492358303063,0.5000171338496333
EOS-3-53341,Cc1cncc(COc2cncc3nnc(-c4cccc(-c5ncns5)c4)n23)n1,NGSDOMRIOVWUPE-UHFFFAOYSA-N,3,1,0.456,7,815,402.443,2.987,5,0.442,0.74,1.0,0.3581231581111644,0.28482454937975465,0.13877561510520184,0.1164587759577822,0.2245455246384758
EOS-3-53342,O=C(NCCCO)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5nncs5)n4)n23)cc1,VBSIPJSOVVSYDQ-UHFFFAOYSA-N,3,1,0.383,52,916,490.524,2.547,5,0.317,0.67,1.0,0.25346960455075046,0.2181995750805291,0.08765677472414501,0.08518093345212803,0.16112672195188815
EOS-3-53343,Cn1nc(-c2cncc3nnc(-c4ccc(C(F)F)cn4)n23)nc1C(C)(F)c1cccc(Cl)n1,WGOGRPOXCVFPIW-UHFFFAOYSA-N,3,1,0.282,50,542,485.861,4.201,5,0.344,0.58,0.018,0.15980741553012132,0.2848331163045713,0.6292920293331505,0.5867401137687616,0.4151681687341512
EOS-3-53344,Fc1ccccc1CCOc1cncc2nnc(-c3cncc(-c4ccc(Br)cc4)c3)n12,KJYLBNWOALYLRA-UHFFFAOYSA-N,3,1,0.679,57,222,490.336,5.376,5,0.32,0.82,1.0,0.8492735247755465,0.9181858680008225,0.9001610581865533,0.9072544719347543,0.8937187307244192
EOS-3-53345,Fc1ccc(-c2c[nH]c(C3CC3)n2)cc1-c1nnc2cncc(OCc3cnc(Cl)c(F)c3)n12,DXVFASMHZFREMX-UHFFFAOYSA-N,3,1,0.448,16,772,479.878,4.964,6,0.346,0.56,1.0,0.720109999314646,0.7555085326571174,0.6778750599684737,0.7928174902337057,0.7365777705434857
EOS-3-53346,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(OC(F)(F)F)cc5)n34)c2)cc1=O,IIOYXLPRMGOHTA-UHFFFAOYSA-N,3,1,0.552,1,713,494.433,4.03,5,0.352,0.78,1.0,0.7201185662394627,0.6226012610513331,0.9504917414844767,0.8882701665410184,0.7953704338290728
EOS-3-53347,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ncc(F)cn5)n34)nn2)n(C)n1,GSJXTUVRZILEJY-UHFFFAOYSA-N,3,1,0.322,53,105,404.369,2.012,5,0.443,0.6,1.0,0.3787523130697005,0.28484168322938797,0.055736412857240764,0.046809677198272906,0.19153502158865052
EOS-3-53348,CCn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(C)nnc4-c4ncccn4)n23)cc1,APGLZTSFIMLMDG-UHFFFAOYSA-N,3,1,0.443,71,415,490.531,3.809,6,0.329,0.6,1.0,0.3017099581934069,0.1813874991433075,0.11252655746693167,0.08879617572476184,0.17110504763210196
EOS-3-53349,Cn1c(C(N)=O)ccc(-c2nnc3cncc(OCc4ccnc(-c5ncc(Cl)nn5)c4)n23)c1=O,SAXRQDVRWLZQCN-UHFFFAOYSA-N,3,1,0.406,36,185,490.871,1.068,5,0.363,0.53,1.0,0.3044513741347406,0.18989445548625866,0.040341648961688716,0.04035021588650538,0.14375942361729832
EOS-3-53350,Cc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)cc2ccccc12,MKSLMZVFQUFOOX-UHFFFAOYSA-N,3,1,0.446,44,469,404.38,3.9,5,0.452,0.63,1.0,0.6070437255842642,0.6270303611815503,0.7504711808649167,0.7515077787677336,0.6840132615996162
EOS-3-53351,Cc1noc(-c2ccc(-c3nnc4cncc(-c5nnc(-c6cccc(F)c6Cl)s5)n34)cn2)n1,URUDKHFKGCPQIF-UHFFFAOYSA-N,3,1,0.31,10,572,491.899,4.523,6,0.35,0.7,0.972,0.35335138098828045,0.4559488725926941,0.2311870331025975,0.3504471934754301,0.34773362003975056
EOS-3-53352,CC#Cc1cncc(-c2cc(-c3nnc4cncc(Oc5cccnc5)n34)cnn2)n1,UEHMVASDIWFPCA-UHFFFAOYSA-N,3,1,0.359,92,778,407.397,2.597,5,0.414,0.5,1.0,0.4345315605510246,0.27446713727640326,0.2668597080392022,0.2254386265506134,0.30032425810431085
EOS-3-53353,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cc4)n23)cc1,ACZMMPPRRLCHGJ-UHFFFAOYSA-N,3,1,0.316,69,958,445.551,6.557,6,0.308,0.78,1.0,0.12996881639366734,0.18565382770200808,0.8230587348365431,0.8188780755260092,0.48938986361455694
EOS-3-53354,CCc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4Cl)n23)cn1,ZZJZAOVCNZYROT-UHFFFAOYSA-N,3,1,0.519,90,555,401.257,4.03,4,0.503,0.81,1.0,0.6155592488520321,0.7331231581111645,0.5639606606812418,0.6284010691522172,0.6352610341991639
EOS-3-53355,O=C(c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)nc4)n23)cc1)N1CCOCC1,DDPSYWOIBAZDEY-UHFFFAOYSA-N,3,1,0.469,0,829,499.531,1.798,6,0.418,0.87,1.0,0.038020012336371735,0.0017990542115002399,0.00023987389486669866,0.0007024878349667603,0.010190357069426358
EOS-3-53356,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccccc5)n34)c2)c(Cl)c1Cl,GCENQRMCCTYGOQ-UHFFFAOYSA-N,3,1,0.602,19,198,480.33,5.921,5,0.282,0.75,1.0,0.9055667877458707,0.8675639092591323,0.9445462956617092,0.9609605236104448,0.9196593790692893
EOS-3-53357,COc1ncccc1-c1ccnc(-c2nnc3cncc(OCc4ccc(C#N)c(Cl)c4F)n23)c1,BHGHTASTHCPBFN-UHFFFAOYSA-N,3,1,0.396,97,160,487.882,4.5,5,0.344,0.54,0.999,0.7351106846686314,0.7238280446850799,0.8861969707353848,0.8307518333219107,0.7939718833527517
EOS-3-53358,CCCCOc1ccc(-c2nnc3cncc(Cc4ccc(F)c(C#N)c4)n23)cn1,CPJGOWXMKIGWFV-UHFFFAOYSA-N,3,1,0.366,63,9,402.433,3.967,4,0.435,0.8,1.0,0.5928911657871291,0.6709786854910561,0.6087142759235145,0.5613391816873415,0.6084808272222603
EOS-3-53359,NC(=O)c1ccc(-c2nnc3cncc(-c4cncnc4-n4cccn4)n23)cc1F,JNNRSJIXRQCVHF-UHFFFAOYSA-N,3,1,0.35,50,413,401.365,1.672,5,0.485,0.67,1.0,0.02678020697690357,0.11697279144678226,0.24190425604824892,0.24034507573161537,0.15650058255088753
EOS-3-53360,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)cn2)cn1,AKNQOBUGKMKWBC-UHFFFAOYSA-N,3,1,0.38,92,986,402.422,1.777,5,0.422,0.73,1.0,0.15453018984305394,0.17715543828387362,0.031020834761154137,0.015857377835652116,0.09464096018093346
EOS-3-53361,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(Oc3c(F)ccc(F)c3F)n12,DHKTYJGLEQKMHN-UHFFFAOYSA-N,3,1,0.447,13,236,442.397,5.869,5,0.258,0.73,1.0,0.8943441162360359,0.9062607086560208,0.9863357549174149,0.9873980535946817,0.9435846583510383
EOS-3-53362,Fc1nc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)nn2C(F)F)ccc1Cl,FXEOFDMIPHGRCJ-UHFFFAOYSA-N,3,1,0.441,95,493,486.845,4.254,5,0.317,0.58,1.0,0.48489651154821467,0.48211226098279764,0.7406534850250154,0.7332944966074978,0.6102391885408813
EOS-3-53363,Fc1cnc(F)c(-c2ncc(-c3nnc4cncc(Cc5ccc(C(F)(F)F)nc5F)n34)cn2)c1,QJVRWNLTSSKKKK-UHFFFAOYSA-N,3,1,0.356,85,260,488.355,4.065,5,0.278,0.64,1.0,0.4651154821465287,0.5511616750051401,0.9599838941813447,0.9237886368309232,0.7250124220409842
EOS-3-53364,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccc(Cl)n6)nc5)n34)cn2)n1,UPNONQDLHDLPQM-UHFFFAOYSA-N,3,1,0.319,10,664,487.314,4.198,6,0.269,0.67,0.539,0.017485093550818998,0.15309951339867042,0.4140651771640052,0.5284678911657871,0.27827941881982043
EOS-3-53365,Cc1nnc(-c2cc(F)c(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)c(Cl)c2)o1,JTNZJFVLJYEYDG-UHFFFAOYSA-N,3,1,0.575,34,607,489.269,5.314,5,0.33,0.74,1.0,0.9316702076622576,0.9565057227057775,0.9230090466726064,0.9378298266054417,0.9372537009115207
EOS-3-53366,Cc1cc(OCc2ccccn2)c(-c2nnc3cncc(-c4cc(-c5cnccn5)ccc4F)n23)nn1,AGAFRMULIRITOV-UHFFFAOYSA-N,3,1,0.346,10,596,491.49,4.127,6,0.339,0.66,0.34,0.4393890069220753,0.43836097594407514,0.4216212048523062,0.4206188746487561,0.42999751559180316
EOS-3-53367,COc1cc(-c2nnc3cncc(COc4cccc(-c5cccnn5)n4)n23)ccc1-c1cncn1C,NAWZQSGFGJKXSF-UHFFFAOYSA-N,3,1,0.316,81,218,491.515,3.631,6,0.33,0.62,1.0,0.280275512302104,0.11698135837159893,0.3664844767322322,0.2288225618531972,0.24814097731478307
EOS-3-53368,Fc1ccc(-c2nnc3cncc(OCc4cc(F)c(F)c(F)c4Cl)n23)cc1,KOJROYWBCAANOD-UHFFFAOYSA-N,3,1,0.746,23,627,408.742,4.58,4,0.282,0.77,1.0,0.9950825851552326,0.9921698307175656,0.994405798094716,0.9972928517579329,0.9947377664313618
EOS-3-53369,CC(C)(O)Cc1ccc(-c2nnc3cncc(Cc4cnc(C5CC5)nc4)n23)nc1,MUAFCFFEIWMCAL-UHFFFAOYSA-N,3,1,0.305,63,364,401.474,2.758,5,0.53,0.73,0.998,0.1545387567678706,0.09508429854019601,0.06740456445754232,0.0745151120553766,0.09788568295524638
EOS-3-53370,Fc1ccccc1Oc1cncc2nnc(-c3ccc(F)c(-c4cncnc4)c3)n12,MIICRAWGPFPZMG-UHFFFAOYSA-N,3,1,0.471,13,145,402.364,4.319,5,0.446,0.78,1.0,0.7820060311150709,0.8558186553354807,0.9162240422178055,0.9163182783907888,0.8675917517647864
EOS-3-53371,Cn1nccc1-c1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,JHHFQEXMSBSPPI-UHFFFAOYSA-N,3,1,0.437,14,81,401.861,3.831,5,0.457,0.76,1.0,0.26947262010828593,0.40642348022753755,0.5931139058323625,0.6431704475361524,0.4780451134260846
EOS-3-53372,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(C(F)(F)F)c4)n23)cc1,OZAMKQZSNXACLC-UHFFFAOYSA-N,3,1,0.5,66,12,494.836,4.137,4,0.306,0.86,1.0,0.8018384620656569,0.5990336508806798,0.9511256939209102,0.8784267699266671,0.8076061441984785
EOS-3-53373,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1-c1cnc(C)c(F)c1,HJDGUZTWDYYGIP-UHFFFAOYSA-N,3,1,0.607,84,657,490.926,4.979,5,0.318,0.75,1.0,0.8376739085737783,0.8528030978000137,0.7911383729696388,0.7198872592694127,0.8003756596532109
EOS-3-53374,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)cc1,ZZPOKBWSGFDBAU-UHFFFAOYSA-N,3,1,0.543,23,646,398.253,3.788,4,0.567,0.87,1.0,0.3533599479130971,0.36367452539236517,0.845109999314646,0.8714789939003496,0.6084058666301144
EOS-3-53375,Cn1c(Cl)cnc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)c(F)c1,UVTCVMLGTQOUMY-UHFFFAOYSA-N,3,1,0.443,73,379,489.273,4.146,5,0.343,0.6,1.0,0.822698923994243,0.8558272222602974,0.680676444383524,0.7515163456925502,0.7776797340826537
EOS-3-53376,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccsc6)s5)n34)cc2)nc1,ZLIDCDTXARDGCG-UHFFFAOYSA-N,3,1,0.329,32,126,437.553,6.31,6,0.324,0.69,1.0,0.10803748886299774,0.16457919265300527,0.6886608183126585,0.722431635939963,0.4209272839421561
EOS-3-53377,c1ncc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)nn1,BIOOUPRFBXVHIM-UHFFFAOYSA-N,3,1,0.506,75,496,402.443,2.721,5,0.427,0.72,1.0,0.504874580220684,0.3636830923171818,0.12965184017545062,0.1507093413748201,0.28722971352203414
EOS-3-53378,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5c(F)ncc6ccccc56)n4)n23)cc1,ZQHPJVHARVJITH-UHFFFAOYSA-N,3,1,0.465,1,891,480.478,5.567,6,0.3,0.64,1.0,0.8794805016791173,0.8647796586937153,0.8388390103488452,0.8307604002467275,0.8534648927421012
EOS-3-53379,Fc1ccsc1COc1cncc2nnc(-c3ccc(-c4cccc(F)c4F)c(F)n3)n12,PLJWNQRKTZWMNS-UHFFFAOYSA-N,3,1,0.424,59,223,457.412,5.05,5,0.273,0.56,1.0,0.8516037283256802,0.8429254334863957,0.9452059488725927,0.94966074977726,0.8973489651154821
EOS-3-53380,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cn1,JXOUASJMFWWILO-UHFFFAOYSA-N,3,1,0.539,65,262,404.365,2.392,5,0.393,0.69,1.0,0.704638133095744,0.6465886505380029,0.27446713727640326,0.25517442258926737,0.47021708587485433
EOS-3-53381,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1ncc(C)s1,WNMVPOWHPCFFBB-UHFFFAOYSA-N,3,1,0.4,46,690,468.995,5.475,5,0.328,0.54,0.98,0.405044205332054,0.5188215338222192,0.17297477897333974,0.19384380782674251,0.32267108148858886
EOS-3-53382,CS(=O)(=O)NC(=O)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5F)n4)n23)cc1,PBFKGSCSLZIGFD-UHFFFAOYSA-N,3,1,0.349,61,990,497.447,1.402,5,0.38,0.8,0.998,0.13794462339798505,0.1813960660681242,0.10193783839353025,0.11868617641011582,0.13499117606743885
EOS-3-53383,c1cnc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)cn1,ZNZCXZMDRTZTLY-UHFFFAOYSA-N,3,1,0.5,2,822,401.455,3.326,5,0.431,0.8,1.0,0.4558460694948941,0.37332944966074977,0.2703036118155027,0.27594064834487014,0.34385494482900414
EOS-3-53384,Fc1cc(Cc2nsc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)ccc1Cl,DQQVQHZPLMZRDG-UHFFFAOYSA-N,3,1,0.646,34,929,487.347,5.259,5,0.325,0.76,1.0,0.8715817969981495,0.9409224864642588,0.6859451031457748,0.8367486806935782,0.8337995168254404
EOS-3-53385,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccc(F)nc5Cl)n4)n23)cc1,LTIDAGDFOXUTQU-UHFFFAOYSA-N,3,1,0.318,39,527,489.837,3.218,6,0.343,0.52,0.979,0.038028579261188404,0.21323932561167844,0.21664896168871223,0.42358303063532315,0.22287497429922554
EOS-3-53386,CCOc1ccccc1-c1nnc2cncc(-c3nc(-c4cccc(F)c4)no3)n12,KAVYUNMBFXEYKB-UHFFFAOYSA-N,3,1,0.512,96,837,402.389,4.046,5,0.438,0.82,1.0,0.4558546364197108,0.5606709615516414,0.4254591871701734,0.44888972654375986,0.47271862792132135
EOS-3-53387,COc1ncc(-c2nnc3cncc(-c4cncc(-c5ncc(F)cn5)c4)n23)cn1,WACQVJBGDIFASC-UHFFFAOYSA-N,3,1,0.301,2,489,401.365,2.248,5,0.447,0.75,1.0,0.4579878006990611,0.3733380165855664,0.21335926255911178,0.17723254060722363,0.30547940511274074
EOS-3-53388,Fc1cccc(COc2cncc3nnc(-c4cnnc(-c5ccsc5)c4)n23)c1,HHUGSSIOVKLCLJ-UHFFFAOYSA-N,3,1,0.549,97,875,404.43,4.028,5,0.44,0.64,1.0,0.6956428620382428,0.6182749640189158,0.6778836268932904,0.7007401823041601,0.6731354088136523
EOS-3-53389,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccc(C#N)cc6)s5)n34)nc2)cs1,DEDCHRJXZBCXGB-UHFFFAOYSA-N,3,1,0.341,32,126,477.578,5.885,6,0.314,0.7,1.0,0.09337091357686245,0.24408882187649922,0.6177866493043657,0.6201939551778494,0.39386008498389413
EOS-3-53390,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(Cl)nc5)n34)cn2)cc1,HKYPEJPCCZLQGI-UHFFFAOYSA-N,3,1,0.4,96,46,402.82,4.708,5,0.409,0.86,1.0,0.2991741484476732,0.6037968610787472,0.8942327462134192,0.9299739565485573,0.6817944280720992
EOS-3-53391,Cc1ncncc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1,SXURMTAQSUNKNN-UHFFFAOYSA-N,3,1,0.464,89,637,495.518,4.167,6,0.361,0.83,0.999,0.5957610856007127,0.2539150846412172,0.49583647453909946,0.46778836268932905,0.45332525186758965
EOS-3-53392,COc1nc(-c2nnc3cncc(OCc4cn(C)cn4)n23)ccc1-c1nc[nH]n1,JIOMOYZQLRFMOP-UHFFFAOYSA-N,3,1,0.356,31,105,404.394,1.292,5,0.444,0.62,0.884,0.2153467891165787,0.14529504489068604,0.03742889452402166,0.012576245630868343,0.10266174354053868
EOS-3-53393,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cccnn5)n34)nn2C)cn1,JQQTVCLTZDVRAH-UHFFFAOYSA-N,3,1,0.402,92,105,402.422,1.777,5,0.422,0.73,0.999,0.020260777191419367,0.009594955794667947,0.03485881707902132,0.02010657254471935,0.02120528065245699
EOS-3-53394,Cc1ccnc(COc2cncc3nnc(-c4cncc(-c5ncc(F)[nH]5)c4)n23)n1,SLWHCRLWMGGAAZ-UHFFFAOYSA-N,3,1,0.396,51,36,403.381,2.393,5,0.475,0.63,1.0,0.5173394558289356,0.4913217051607155,0.21336782948392846,0.18292097868549106,0.35123749228976764
EOS-3-53395,Cc1cnc(-c2nnc3cncc(-c4cnc(-c5ccnc(Cl)c5)cn4)n23)cn1,BVMSVTJXQDPOCZ-UHFFFAOYSA-N,3,1,0.289,86,845,401.821,3.062,5,0.424,0.76,1.0,0.13540881365225138,0.2132478925364951,0.2703121787403194,0.33445274484271126,0.23835540744294426
EOS-3-53396,Fc1ccc(Oc2ncc(Cl)c(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)cc1F,YEXVNEWKCWUHTI-UHFFFAOYSA-N,3,1,0.381,45,575,487.804,5.305,5,0.31,0.74,0.987,0.6528767733534371,0.7767716400520869,0.9412822973065589,0.9361078747172915,0.8267596463573434
EOS-3-53397,Cc1cc(C)nc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5nc(Cl)co5)c4)n23)c1,BQEURWGJWXGRLX-UHFFFAOYSA-N,3,1,0.506,11,639,481.343,5.386,5,0.321,0.63,1.0,0.8468319512027962,0.8705109313960661,0.6058357891851142,0.620202522102666,0.7358452984716606
EOS-3-53398,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5scnc5Cl)n34)ncn2)cc1Cl,SHOQVNLMUUZEFA-UHFFFAOYSA-N,3,1,0.489,44,130,488.335,4.772,5,0.34,0.63,0.993,0.787574532245905,0.7810808032348708,0.6116355972859983,0.7464789939003496,0.7316924816667809
EOS-3-53399,COc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccnc(C#N)n6)cn5)n34)c2)s1,UBAHURDZBQGZDF-UHFFFAOYSA-N,3,1,0.28,32,179,490.512,3.709,6,0.351,0.56,1.0,0.2967154410252896,0.23881159618943185,0.192438832156809,0.16365396477280517,0.22290495853608389
EOS-3-53400,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(N)=O)s5)n34)nc(C)n2)c(Cl)cn1,XJJGJHIYWKDWKQ-UHFFFAOYSA-N,3,1,0.4,7,690,492.952,3.653,5,0.379,0.63,0.314,0.39022342539921867,0.22356247001576315,0.14172263724213557,0.11171269960934822,0.2168053080666164
EOS-3-53401,Fc1ccc(Cc2cncc3nnc(-c4nccnc4-c4ccnc(F)c4)n23)cc1,WFRLTSZOUHFCJS-UHFFFAOYSA-N,3,1,0.344,14,961,401.38,3.512,5,0.429,0.81,0.893,0.3765677472414502,0.31557124254677543,0.6416883695428689,0.7224402028647796,0.5140668905489685
EOS-3-53402,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)c2)c1,TTWKYTDFXNIQTJ-UHFFFAOYSA-N,3,1,0.5,16,55,401.405,3.305,5,0.449,0.76,1.0,0.6653502158865053,0.49623055308066616,0.6503066959084367,0.5897899390034953,0.600419350969776
EOS-3-53403,Cc1ncnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cn4)n23)c1F,DOXGIFOIAVRXET-UHFFFAOYSA-N,3,1,0.364,7,185,404.369,1.788,5,0.465,0.56,0.861,0.5199523678980194,0.4962391200054828,0.10718079638133096,0.08880474264957851,0.3030442567336029
EOS-3-53404,CCn1c(C)nnc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)c(F)c1,ZVXVRTDNTBJVPK-UHFFFAOYSA-N,3,1,0.585,13,252,484.322,5.616,5,0.322,0.69,1.0,0.6924302652319924,0.8019412651634569,0.6588736207251045,0.7694126516345693,0.7306644506887807
EOS-3-53405,c1ccc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6nnc(-c7ccco7)s6)n5)n34)cc2)nc1,DDKQZMDZQVFSPJ-UHFFFAOYSA-N,3,1,0.278,38,465,491.5,3.608,7,0.351,0.63,0.993,0.03006990610650401,0.07173942841477624,0.02654890000685354,0.05475978342814063,0.045779504489068604
EOS-3-53406,c1cncc(-c2nnc(-c3cc(-c4cncc5nnc(-c6ccc(-c7nc[nH]n7)nc6)n45)[nH]n3)s2)c1,GBYILICXWJTQBM-UHFFFAOYSA-N,3,1,0.264,70,887,491.504,2.942,7,0.365,0.62,0.18,0.07139675142210952,0.1771640052086903,0.061510520183674866,0.07649407168802687,0.09664133712562538
EOS-3-53407,Cc1nc(-c2ccc(F)cc2)c(-c2cncc3nnc(-c4ccc(-c5ccco5)cc4)n23)s1,DELHAHNXFCEKAN-UHFFFAOYSA-N,3,1,0.382,69,484,453.502,6.289,6,0.314,0.68,1.0,0.19613974367760947,0.45144267013912687,0.7122284284833116,0.761865190871085,0.5304190082927832
EOS-3-53408,Cc1noc(-c2cncc(COc3cncc4nnc(-c5ccccc5F)n34)c2)n1,ZMINKVWDGKJPTG-UHFFFAOYSA-N,3,1,0.529,16,256,403.377,3.263,5,0.44,0.67,1.0,0.5840243986018778,0.584923925707628,0.40018675896100336,0.37956617092728395,0.48717531354944826
EOS-3-53409,CCc1nc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5cnc(C)cn5)ccn4)n23)nc1F,UKPXKSTXDGWDHO-UHFFFAOYSA-N,3,1,0.398,31,720,491.918,3.718,5,0.335,0.63,0.998,0.5643633061476252,0.5555822082105407,0.09452744842711261,0.11869474333493249,0.33329192653005274
EOS-3-53410,Clc1csc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)c2)n1,WJMGJKLRBKHIDT-UHFFFAOYSA-N,3,1,0.366,69,220,466.957,6.297,6,0.305,0.75,1.0,0.13541738057706806,0.34933349324926327,0.7146785689808787,0.7881999177575217,0.4969073401411829
EOS-3-53411,Fc1cc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)c1,GZUCWFAMQFRKHS-UHFFFAOYSA-N,3,1,0.6,13,236,470.266,6.231,5,0.292,0.7,1.0,0.9348999383181413,0.9422246590363923,0.9866013295867315,0.9934377355904325,0.9642909156329245
EOS-3-53412,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)n(C)n4)n23)nn1,WOTWEYMBBOCQIB-UHFFFAOYSA-N,3,1,0.379,53,105,404.398,0.393,5,0.404,0.66,0.988,0.0837502570077445,0.08885614419847851,0.0035638407237338085,0.000848125556850113,0.044254591871701734
EOS-3-53413,CCOCc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)ncn2)c1,YFXHUNWKIUNDFN-UHFFFAOYSA-N,3,1,0.387,18,481,488.939,3.85,5,0.305,0.6,0.388,0.4824292372010143,0.387430607908985,0.3927763689945857,0.3635117538208485,0.40653699198135834
EOS-3-53414,Cc1cnc(-c2nnc3cncc(OCc4cnnc(-c5ccsc5)n4)n23)cn1,RGLWXSWIBJADOG-UHFFFAOYSA-N,3,1,0.385,7,828,403.431,2.382,5,0.436,0.66,1.0,0.2912583099170722,0.24900623672126654,0.04035021588650538,0.03671783976423823,0.15433315057227057
EOS-3-53415,CCn1cnnc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)c(F)cc1F,OIYFYNZJSXLOQF-UHFFFAOYSA-N,3,1,0.43,73,908,486.845,4.114,5,0.333,0.55,1.0,0.607052292509081,0.7100095949557946,0.7781509149475704,0.8080066479336577,0.7258048625865259
EOS-3-53416,Fc1cccc(COc2ncccc2-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1F,ZPHAHXHDZQQOSX-UHFFFAOYSA-N,3,1,0.375,96,3,465.41,5.648,5,0.303,0.58,1.0,0.7790418751285039,0.8866938523747515,0.9866098965115482,0.9794136796655473,0.9079398259200877
EOS-3-53417,Cc1cc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)nnc1Cl,AYCMLQWCLFGVID-UHFFFAOYSA-N,3,1,0.274,50,489,401.821,3.062,5,0.454,0.72,0.786,0.18489993831814133,0.2901617435405387,0.3107994654238914,0.3795747378521006,0.291358971283668
EOS-3-53418,COc1cc(-c2ccc(C)nn2)ccc1-c1nnc2cncc(OCc3cccc(-c4c[nH]nn4)n3)n12,BWQXIVOVSMSKFZ-UHFFFAOYSA-N,3,1,0.402,81,609,492.503,3.324,6,0.353,0.64,0.955,0.20161400863546022,0.17717257213350696,0.2630388595709684,0.16366253169762182,0.20137199300938935
EOS-3-53419,COCn1nnnc1-c1ccc(-c2nnc3cncc(-c4nnc(C)n4C)n23)cc1,QCHCANIFXUUEIS-UHFFFAOYSA-N,3,1,0.325,36,447,403.41,1.153,5,0.424,0.65,1.0,0.1057329860873141,0.0787728736892605,0.004677540949900623,0.003495305325200466,0.04816967651291892
EOS-3-53420,Cc1csc(-c2c(F)cccc2-c2nnc3cncc(-c4ccccc4Cl)n23)c1,JQLBNWWASMYUOJ-UHFFFAOYSA-N,3,1,0.389,45,46,420.9,6.288,5,0.344,0.72,1.0,0.2883798231786718,0.4690991021862792,0.9209958193406894,0.9534301966965938,0.6579762353505585
EOS-3-53421,Cc1cncc(COc2cncc3nnc(-c4ccc(-c5csnn5)cn4)n23)n1,BXYPVNLLYAASSK-UHFFFAOYSA-N,3,1,0.416,7,828,403.431,2.382,5,0.436,0.64,1.0,0.23186382016311424,0.19901823041600986,0.0782160235761771,0.06212733877047495,0.14280635323144403
EOS-3-53422,CC1(Cn2cc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)c(C#N)c5)n34)nn2)COC1,JZLCRVVIXMHLAM-UHFFFAOYSA-N,3,1,0.294,50,974,468.456,2.554,6,0.381,0.32,0.062,0.16272016996778838,0.26938695086011927,0.11550784730313207,0.2520217942567336,0.19990919059694334
EOS-3-53423,Cn1ncnc1COc1cncc2nnc(-c3cc(-c4cc(F)cnn4)ccn3)n12,XICZDXBPMCTLQQ-UHFFFAOYSA-N,3,1,0.365,53,105,404.369,1.49,5,0.429,0.56,1.0,0.32471215132615994,0.26412685902268523,0.08260228908231101,0.09272839421561237,0.19104242341169217
EOS-3-53424,CC1CN(C)C(C)(C)CN1C(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)cn4)n23)cc1,PIEFXBBUKLEGLZ-UHFFFAOYSA-N,3,1,0.36,78,334,490.999,3.38,5,0.433,0.5,0.999,0.2534781714755671,0.20839044616544444,0.07591152080049346,0.10073846891919677,0.15962965184017547
EOS-3-53425,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cnn(-c6ncccn6)c5)n4)n23)cn1,QXVYFLWBBISWPT-UHFFFAOYSA-N,3,1,0.364,85,290,493.466,2.053,6,0.367,0.57,1.0,0.05477691727777397,0.1307998081008841,0.09954766636967995,0.0869714207388116,0.0930239531217874
EOS-3-53426,Clc1ccccc1-c1ncccc1-c1nnc2cncc(-c3ccc(-c4cncs4)cc3)n12,AFSQVJWGIHLNNE-UHFFFAOYSA-N,3,1,0.368,69,30,466.957,6.297,6,0.305,0.7,1.0,0.15733157425810432,0.3828987046809677,0.7889538071413885,0.8602391885408813,0.5473558186553356
EOS-3-53427,Fc1cc(-c2ccc(-c3nnc4cncc(-c5nccc(Cl)n5)n34)cn2)ccn1,BMUBNLSMDAVCJX-UHFFFAOYSA-N,3,1,0.317,50,261,404.796,3.498,5,0.335,0.74,0.999,0.25348673840038377,0.40188301007470356,0.5509646357343568,0.6431790144609691,0.4623783496676034
EOS-3-53428,COc1nc(-c2cnc(C)nn2)ccc1-c1cncc2nnc(-c3cnc(-c4cnc(C)nn4)nc3)n12,UGKGMLSWYKBCKZ-UHFFFAOYSA-N,3,1,0.292,99,780,491.479,1.973,6,0.343,0.53,1.0,0.24279521622918238,0.08231958056336097,0.019609690905352615,0.008575491741484477,0.08832499485984512
EOS-3-53429,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(F)c4)n23)on1,WJLYWMYBKYIMBO-UHFFFAOYSA-N,3,1,0.56,16,214,403.377,3.263,5,0.44,0.69,1.0,0.8422914810499623,0.6661383729696388,0.5066050990336509,0.44253306832979233,0.6143920053457612
EOS-3-53430,Cc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)ccc1Cl,OQRXCCIYLOLVBX-UHFFFAOYSA-N,3,1,0.636,90,12,401.804,4.665,4,0.486,0.82,1.0,0.911777808237955,0.9409310533890755,0.9605664450688781,0.9386693852374751,0.937986172983346
EOS-3-53431,Clc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)nc5)n34)cc2)cs1,JUAUFZRIANSCEF-UHFFFAOYSA-N,3,1,0.382,69,695,466.957,6.297,6,0.305,0.72,1.0,0.1655301213076554,0.3344955794667946,0.7666027002947022,0.8188866424508259,0.5213787608799945
EOS-3-53432,Cc1cc(CO)cnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)c(Cl)c1F,WGVXRONPSPZYHP-UHFFFAOYSA-N,3,1,0.533,35,619,490.926,4.463,5,0.359,0.64,1.0,0.806918648481941,0.8359262559111781,0.8139520937564252,0.7694212185593859,0.8065545541772325
EOS-3-53433,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Oc5cnccn5)nn4)n23)c1,BBUWLNJKFDVFMT-UHFFFAOYSA-N,3,1,0.461,56,846,492.503,3.186,6,0.312,0.65,1.0,0.39878178329106984,0.20355870056884381,0.15678329106983757,0.10489342745528066,0.21600430059625797
EOS-3-53434,FC(F)c1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cs1,RVVPQRIXDWTXHF-UHFFFAOYSA-N,3,1,0.554,58,578,485.907,4.917,5,0.302,0.66,1.0,0.8279504489068604,0.920027756836406,0.6588821876499212,0.6227983003221164,0.7574146734288261
EOS-3-53435,Cc1nn(C)cc1Cc1cncc2nnc(-c3ccc(-c4ncnn4C)cc3F)n12,WVFQTGGWHOJDFD-UHFFFAOYSA-N,3,1,0.327,85,784,403.425,2.359,5,0.457,0.68,1.0,0.184908505242958,0.25392365156603386,0.16330272085532177,0.15071790829963677,0.1882131964909876
EOS-3-53436,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)c(Cl)n2)nc1,SBDHUFYTGBYXFE-UHFFFAOYSA-N,3,1,0.458,73,263,484.282,3.501,5,0.264,0.56,1.0,0.8556901514632308,0.8893067644438353,0.3036717839764238,0.40412754437667053,0.6131990610650402
EOS-3-53437,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5nc(C(F)F)nn5-c5nncs5)n4C)n23)cn1,GQDJWRRYRXQHCO-UHFFFAOYSA-N,3,1,0.25,99,286,492.479,2.932,6,0.356,0.61,0.249,0.013989788225618532,0.09509286546501268,0.02990713453498732,0.032605715852237684,0.04289887601946405
EOS-3-53438,Fc1ccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cccc(Cl)c5)c4)n23)s1,GIWXYSSWGYDLOT-UHFFFAOYSA-N,3,1,0.553,34,31,472.332,5.94,5,0.296,0.67,1.0,0.812204441093825,0.8867024192995683,0.9067747241450209,0.9412565965321088,0.8867345452676307
EOS-3-53439,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccon5)n4)n23)c(F)n1,DBRCXVNWQNDFNA-UHFFFAOYSA-N,3,1,0.435,24,486,404.365,2.658,5,0.407,0.68,1.0,0.5868343499417449,0.5650486601329586,0.1761531080803235,0.1531509149475704,0.3702967582756494
EOS-3-53440,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Br)c5)n34)c2)ccn1,IUVRCKDNIAMRNL-UHFFFAOYSA-N,3,1,0.588,84,884,491.324,4.771,5,0.319,0.72,1.0,0.7790504420533205,0.7767802069769035,0.837245562332945,0.8307689671715441,0.8059612946336783
EOS-3-53441,Fc1cc(-c2nccnc2-c2nnc3cncc(-c4nnc(-c5ccccc5)s4)n23)ccc1Cl,NUEZTKJVSUHMFY-UHFFFAOYSA-N,3,1,0.309,64,27,486.923,5.226,6,0.337,0.64,0.77,0.18491707216777464,0.3445788499760126,0.42546775409499005,0.6141628401069152,0.39228162908642317
EOS-3-53442,COc1ccc(-c2cn(C)nn2)cc1COc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,OMPLHRYFRUXYRM-UHFFFAOYSA-N,3,1,0.443,89,398,496.531,3.067,6,0.348,0.86,1.0,0.22363100541429648,0.09181173326022891,0.19583990130902612,0.13193920910150092,0.1608054622712631
EOS-3-53443,Cc1ncc(-c2cccc(-c3nnc4cncc(COCc5cccc(-c6ccccn6)n5)n34)c2)n1C,VVVXWYGTMVZZQF-UHFFFAOYSA-N,3,1,0.352,28,363,488.555,4.674,6,0.322,0.62,1.0,0.22363957233911316,0.08886471112329518,0.3703138921252827,0.29987663628264,0.24567370296758273
EOS-3-53444,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4ccccc4C(F)(F)F)cc3F)n12,RXAUTTVNBPJVMZ-UHFFFAOYSA-N,3,1,0.483,57,679,483.4,5.729,5,0.299,0.75,1.0,0.9652011513946953,0.9555290932766775,0.9969159070659996,0.9954252621478994,0.978267853471318
EOS-3-53445,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(C)c(F)c5)cn4)n23)nc1,YXYDTDZERQZGHG-UHFFFAOYSA-N,3,1,0.262,70,179,491.534,4.95,6,0.336,0.77,0.992,0.15180590775135358,0.18566239462682477,0.3036803509012405,0.32464361592762664,0.24144806730176138
EOS-3-53446,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc5ccccc5c4)n23)cn1,LLKWPHBNJHRVDC-UHFFFAOYSA-N,3,1,0.38,30,945,403.449,4.407,6,0.438,0.72,1.0,0.15981598245493797,0.10444794736481393,0.5339678568980879,0.6016893975738469,0.3499802960729217
EOS-3-53447,O=C(c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4Cl)n23)cc1)N1CCOCC1,KADNUNXMBGBCCK-UHFFFAOYSA-N,3,1,0.495,52,229,497.946,4.041,6,0.369,0.91,1.0,0.10574155301213077,0.10806318963744774,0.12666198341443355,0.31252998423685835,0.16324917757521762
EOS-3-53448,Fc1cc(Cc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc(F)c1Cl,JOKATZYWPWBKDA-UHFFFAOYSA-N,3,1,0.425,23,225,406.77,5.251,4,0.343,0.81,1.0,0.7107035158659447,0.8705194983208827,0.997241450209033,0.9990662051949832,0.8943826673977109
EOS-3-53449,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5sc(F)cc5F)n34)c2)cc1Cl,QTZNGQHRWDULDA-UHFFFAOYSA-N,3,1,0.4,46,153,480.887,5.297,5,0.339,0.56,1.0,0.6865704886573916,0.7935970803920225,0.9405712425467754,0.9482215064080598,0.8422400795010623
EOS-3-53450,OCCn1ncc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)n1,WTWOQOXYARODKJ-UHFFFAOYSA-N,3,1,0.3,50,974,403.381,1.638,5,0.44,0.66,0.801,0.11046192858611473,0.18990302241107532,0.14759098074155302,0.19639675142210952,0.16108817079021315
EOS-3-53451,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nn4)n23)cc1F,ROXPSKYPWLQVRM-UHFFFAOYSA-N,3,1,0.415,66,306,397.801,2.324,4,0.567,0.83,1.0,0.3394729627852786,0.3155798094715921,0.38547734905078473,0.4014032622849702,0.3604833458981564
EOS-3-53452,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C#N)ccc4C)n23)cc1,MSZMKFYZIWWPKV-UHFFFAOYSA-N,3,1,0.524,89,576,398.426,2.91,4,0.554,0.88,1.0,0.8516122952504969,0.4514512370639435,0.6859536700705915,0.48593310945103146,0.6187375779590158
EOS-3-53453,Cc1cnc(-c2nnc3cncc(OCc4ncnnc4-c4ccsc4)n23)cn1,IIQRYNPJUQAETL-UHFFFAOYSA-N,3,1,0.379,7,828,403.431,2.382,5,0.436,0.67,0.998,0.30171852511822356,0.2490148036460832,0.04180659310533891,0.042834624083339046,0.15884363648824618
EOS-3-53454,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4cc(F)cnn4)n23)c1,RPYQWKNHTMWGDO-UHFFFAOYSA-N,3,1,0.478,36,79,403.381,2.095,5,0.439,0.62,1.0,0.4050527722568707,0.42043896922760604,0.27032074566513603,0.26994380097320264,0.34143907203070384
EOS-3-53455,Cc1cnc(-c2nnc3cncc(-c4cccc(-c5ccc(F)nc5F)n4)n23)cn1,JLLCYWRMKVIMFN-UHFFFAOYSA-N,3,1,0.28,50,155,402.368,3.292,5,0.427,0.68,1.0,0.2802840792269207,0.3296809677198273,0.4823264341032143,0.49815811116441644,0.3976123980535947
EOS-3-53456,Cc1ncc(-c2cncc(-c3cncc4nnc(-c5cc(F)ccc5F)n34)c2)cn1,GUASGLVASFQQIM-UHFFFAOYSA-N,3,1,0.338,2,859,401.38,3.897,5,0.456,0.79,1.0,0.312332944966075,0.42486806935782334,0.830511959427044,0.8287043382907272,0.5991043280104174
EOS-3-53457,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCc3cc(F)cc(Cl)c3F)n12,MCWIZLVINJSGGO-UHFFFAOYSA-N,3,1,0.494,59,577,486.891,4.829,5,0.318,0.62,0.958,0.7790590089781372,0.8395157974093619,0.8121616064697417,0.7741672949078199,0.8012259269412652
EOS-3-53458,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncn(C)n5)nc4)n23)n(C)n1,JCJSKVUMCZGZQZ-UHFFFAOYSA-N,3,1,0.413,92,662,402.422,1.603,5,0.436,0.71,1.0,0.24280378315399903,0.21820814200534577,0.02991570145980399,0.012173600164484957,0.12577530669590845
EOS-3-53459,Cc1nc(-c2ccc(F)c(C)n2)c(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)s1,ZHDGQSPNUHVEMJ-UHFFFAOYSA-N,3,1,0.318,85,674,486.458,4.465,5,0.346,0.54,0.999,0.2667140703173189,0.37334658351038313,0.6321533822219176,0.515240559248852,0.44686364882461793
EOS-3-53460,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2Cl)ccn1,KZCDBYWNMHRONI-UHFFFAOYSA-N,3,1,0.561,97,31,472.332,5.94,5,0.296,0.69,1.0,0.862723596737715,0.9351826468370914,0.9412908642313755,0.9585189500376945,0.924429014460969
EOS-3-53461,c1cnc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)ccn2)cn1,MGOSBSNRWJAIEC-UHFFFAOYSA-N,3,1,0.573,75,324,402.443,2.721,5,0.427,0.76,1.0,0.482437804125831,0.38743917483380164,0.1296604071002673,0.12552258241381672,0.28126499211842915
EOS-3-53462,CC(C)(CC#N)NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(F)cn5)n4)n23)cc1,QQEPUIDUYPZRGJ-UHFFFAOYSA-N,3,1,0.352,62,423,492.518,4.476,5,0.371,0.7,1.0,0.24016517031046536,0.2539322184908505,0.6087228428483311,0.4521280241244603,0.3887370639435268
EOS-3-53463,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(CCO)c5)n34)cn2)nn1C,ORHVURUQWHRTPR-UHFFFAOYSA-N,3,1,0.278,50,974,402.422,1.146,5,0.464,0.69,0.988,0.035124391748338014,0.03519292714687136,0.015506133918168734,0.009946199712151327,0.02394241313138236
EOS-3-53464,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)s1,TZNWBTCOBRFUQX-UHFFFAOYSA-N,3,1,0.466,92,617,404.459,2.931,5,0.444,0.62,1.0,0.29672400795010623,0.2693955177849359,0.08261085600712768,0.05212117058460695,0.17521288808169422
EOS-3-53465,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5ccccc5F)n34)ccn2)nc1,HQKJQCLISJQZAI-UHFFFAOYSA-N,3,1,0.476,13,110,402.364,4.319,5,0.446,0.77,1.0,0.7379549037077651,0.7424611061613323,0.8403639229662121,0.8464892742101295,0.7918173017613597
EOS-3-53466,CCc1ccc(Cl)c(Cc2cncc3nnc(-c4cc(Cl)ccc4F)n23)n1,VWAIQMMPGUAOPX-UHFFFAOYSA-N,3,1,0.338,23,225,402.26,4.785,4,0.493,0.82,1.0,0.392330888904119,0.4913302720855322,0.8100712768144747,0.8978822561853197,0.6479036734973613
EOS-3-53467,Fc1cccc(-c2ccncc2-c2nnc3cncc(-c4cc(-c5ccccc5)ccc4F)n23)c1,WLYPMGNVYWGIPJ-UHFFFAOYSA-N,3,1,0.372,21,107,461.475,6.466,6,0.302,0.74,1.0,0.329946542389144,0.4647128366801453,0.9610633267082448,0.9743420601740799,0.6825161914879035
EOS-3-53468,Cc1nc(-c2ccc(C)c(CN3CCCC3)c2)cc(-c2nnc3cncc(OCc4cccnn4)n23)n1,PVWXALPGVDCVDE-UHFFFAOYSA-N,3,1,0.349,52,500,493.575,3.83,6,0.334,0.71,1.0,0.19075114796792544,0.005671304228634089,0.009038105681584538,0.02588067987115345,0.05783530943732438
EOS-3-53469,CCn1cc(C#N)c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)n1,LQNPQZIZFXBWMU-UHFFFAOYSA-N,3,1,0.284,63,437,398.43,2.439,5,0.552,0.88,1.0,0.03803714618600507,0.01817901446096909,0.041815160030155576,0.07835309437324378,0.04409610376259338
EOS-3-53470,Fc1nc(-c2nnc3cncc(OCc4sc(Cl)cc4Cl)n23)ccc1-c1nccs1,WOWMYQFMBNCWDV-UHFFFAOYSA-N,3,1,0.422,46,223,479.349,5.396,5,0.315,0.65,1.0,0.6097251730518813,0.7238366116098965,0.5898413405523953,0.7007487492289768,0.6560379686107876
EOS-3-53471,COc1cncc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cnc2OC)c1,FSLYQHUYHLSNBW-UHFFFAOYSA-N,3,1,0.59,59,294,492.898,4.637,5,0.324,0.79,1.0,0.8692601603728326,0.8429340004112124,0.8608217394284148,0.7591923103282846,0.8330520526351861
EOS-3-53472,FC(F)c1ccc(-c2nccn2Cc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)nn1,IEBWADHRNQGHRV-UHFFFAOYSA-N,3,1,0.301,80,200,487.499,4.554,6,0.34,0.55,0.996,0.20162257556027688,0.21325645946131178,0.49942601603728326,0.505105887190734,0.3548527345624015
EOS-3-53473,COc1cnc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nn4)n23)cn1,WDTKSBOQHQFRQY-UHFFFAOYSA-N,3,1,0.337,54,844,400.377,2.853,5,0.454,0.8,0.739,0.45351586594476045,0.509569255020218,0.3516379960249469,0.3667500514015489,0.4203682920978686
EOS-3-53474,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(C)n6)cc5)n34)s2)nc1,IYGNGXKATGUBFQ-UHFFFAOYSA-N,3,1,0.333,38,126,466.595,6.322,6,0.304,0.73,1.0,0.06540847097525872,0.189911589335892,0.4958450414639161,0.45213659104927695,0.30082542320608596
EOS-3-53475,CN=c1[nH]c(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1cnccn1,XPMMVXMBLVBYHF-UHFFFAOYSA-N,3,1,0.417,73,540,447.409,2.359,5,0.411,0.34,0.775,0.33477828798574466,0.22867692413131382,0.45807346994722775,0.3857514906449181,0.3518200431773011
EOS-3-53476,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)ccn2)nn1,AOLDSGQMMPCGRN-UHFFFAOYSA-N,3,1,0.537,75,241,402.443,2.987,5,0.442,0.73,1.0,0.3672554999657323,0.2848502501542046,0.15077787677335344,0.12099924611061613,0.23097071825097665
EOS-3-53477,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)nc2)nn1,OWRRYPDTMIURFX-UHFFFAOYSA-N,3,1,0.295,50,261,401.821,3.062,5,0.454,0.68,1.0,0.19614831060242616,0.279632992940854,0.17934000411212392,0.23750942361729832,0.2231576828181756
EOS-3-53478,Cn1nncc1-c1cnnc(COc2cncc3nnc(-c4cccc(F)c4)n23)c1,AZZXEGGAQNUQNE-UHFFFAOYSA-N,3,1,0.529,36,534,403.381,2.095,5,0.439,0.6,1.0,0.3648567610170653,0.4514598039887602,0.28197176341580427,0.3029178945925571,0.3503015557535467
EOS-3-53479,Cc1cc(-c2cnc(-c3nnc4cncc(-c5ccc(Cl)nc5)n34)nc2)cnn1,IIQZCMASRQMJRW-UHFFFAOYSA-N,3,1,0.289,50,489,401.821,3.062,5,0.424,0.74,1.0,0.15454732369268728,0.27964155986567063,0.30368891782605717,0.37325234733739976,0.27778253718045376
EOS-3-53480,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3c(F)cc(F)c(F)c3F)n12,IHZISPSYZAGSSH-UHFFFAOYSA-N,3,1,0.472,59,13,469.373,5.128,5,0.203,0.7,1.0,0.9448033034062093,0.9503889383866767,0.9875608251661984,0.9861130148721815,0.9672165204578165
EOS-3-53481,CCc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nc(=O)ss1,RMVNHKVXKUCFRC-UHFFFAOYSA-N,3,1,0.434,49,578,481.538,3.45,5,0.257,0.58,0.993,0.5173480227537524,0.4559574395175108,0.06521999862929202,0.07836166129806045,0.2792217805496539
EOS-3-53482,Fc1cc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)n5)cn4)n23)c(F)cc1-c1nnco1,ZQVYTZZVYCRAFF-UHFFFAOYSA-N,3,1,0.291,10,287,489.833,4.292,6,0.334,0.58,1.0,0.34422760605852926,0.48675553423343154,0.7122369954081283,0.7412360359125488,0.5711140429031595
EOS-3-53483,Cc1ccc(Oc2cncc3nnc(-c4cc(-c5cncn5C)ncn4)n23)c(F)c1,YWYCYPNJAYZICJ-UHFFFAOYSA-N,3,1,0.346,44,971,402.393,3.222,5,0.455,0.74,0.995,0.48244637105064764,0.4113580289219382,0.47880542800356385,0.4141251456377219,0.4466837434034679
EOS-3-53484,Cc1cnc(-c2cc(-c3cncc4nnc(-c5ccc(C(=O)NC6CCOC6)cc5)n34)c(F)cn2)cn1,PXZDQKIZHIUMMA-UHFFFAOYSA-N,3,1,0.321,52,582,496.506,3.277,6,0.394,0.77,0.997,0.23187238708793093,0.1044565142896306,0.252681447467617,0.24892056747309985,0.2094827290795696
EOS-3-53485,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)cc(Cl)c5)n34)nc2C)cs1,FSPCPVWRZYXGMV-UHFFFAOYSA-N,3,1,0.43,13,573,469.357,6.026,5,0.32,0.68,1.0,0.564371873072442,0.6414399287231856,0.6321619491467343,0.6952573504214927,0.6333077753409636
EOS-3-53486,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnccn5)cn4)n23)cc1,QMDVZRLCYIVLEH-UHFFFAOYSA-N,3,1,0.592,51,969,400.377,2.756,5,0.444,0.78,1.0,0.8715903639229662,0.8867109862243849,0.41407374408882186,0.42062744157357274,0.6482506339524364
EOS-3-53487,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)c(Cl)n4)n23)c1,SWOOETYPETXBPZ-UHFFFAOYSA-N,3,1,0.548,57,198,480.33,5.921,5,0.282,0.75,1.0,0.8776386128435337,0.9103471317935714,0.9190425604824892,0.9508429854019601,0.9144678226303887
EOS-3-53488,Cn1ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccn4)n23)n1,ZYAVHUMRJXRYBU-UHFFFAOYSA-N,3,1,0.447,4,560,401.405,3.305,5,0.449,0.76,0.999,0.3442361729833459,0.39681995750805293,0.5476149681310397,0.5419779316016723,0.45766225755602774
EOS-3-53489,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4Cl)n23)ccc1-c1cnc(C)nc1C,FZINBECMYMQNDB-UHFFFAOYSA-N,3,1,0.365,31,690,486.967,4.758,5,0.338,0.57,0.999,0.49991433075183334,0.48676410115824825,0.2744757042012199,0.21133746830237818,0.36812290110341994
EOS-3-53490,Cn1ccnc1-c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)cn1,VYUPNFZWUXWDEO-UHFFFAOYSA-N,3,1,0.4,85,81,401.861,3.831,5,0.457,0.76,0.976,0.27217976835035296,0.31558837639640874,0.5135957096840518,0.5836902885340278,0.42126353574121034
EOS-3-53491,Cn1ccc(COc2cncc3nnc(-c4ccc(-c5cnc(F)nc5)cc4)n23)n1,UKZXKZRLLMCFTG-UHFFFAOYSA-N,3,1,0.494,56,519,402.393,2.7,5,0.417,0.71,1.0,0.43939757384689193,0.47345966691796315,0.46144883832499484,0.3732609142622164,0.4368917483380166
EOS-3-53492,N#Cc1ccc(-c2nnc3cncc(-c4c(Cl)cc(F)cc4CN4CCC(F)(F)C4)n23)c(F)c1,KFASQPKBZMUYBV-UHFFFAOYSA-N,3,1,0.343,23,129,486.86,5.103,5,0.375,0.58,0.981,0.3625779590158317,0.4821208279076143,0.9321156877527242,0.9767493660475636,0.6883909601809335
EOS-3-53493,COc1cnc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)nc1,PDKJCUOFGYNLRV-UHFFFAOYSA-N,3,1,0.333,96,856,399.389,3.458,5,0.457,0.91,1.0,0.41631827839078883,0.47808580631896375,0.5136042766088684,0.5249811527654034,0.4832473785210061
EOS-3-53494,Cc1cnc(-c2nnc3cncc(OCc4cnc(-c5ccnc(F)c5)cn4)n23)o1,FGUJADJLFHKREZ-UHFFFAOYSA-N,3,1,0.398,7,720,404.365,2.658,5,0.407,0.62,1.0,0.4185885134672058,0.3155969433212254,0.2027362757864437,0.1745510931396066,0.27786820642862037
EOS-3-53495,Fc1cc(Cl)c(-c2ncncc2COc2cncc3nnc(-c4cnc(Cl)nc4)n23)cc1F,RLKIDZLFIDGWLY-UHFFFAOYSA-N,3,1,0.456,73,434,487.257,4.202,5,0.269,0.65,1.0,0.8888955520526352,0.8922109519566856,0.8593653622095813,0.8869936947433349,0.8818663902405592
EOS-3-53496,CC#Cc1cnc(CCc2cncc(Cl)c2)c(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)c1,SLLIWWIOEAMFTM-UHFFFAOYSA-N,3,1,0.271,85,580,486.366,5.107,5,0.322,0.6,0.999,0.34424473990816257,0.43403467891165787,0.7201956685628127,0.7835309437324378,0.5705015077787677
EOS-3-53497,CC(=O)OCc1ccc(-c2nnc3cncc(Cc4nc(-c5ncc(F)cn5)ncc4Cl)n23)cn1,YFAYLYFVLHWUJU-UHFFFAOYSA-N,3,1,0.35,85,260,491.874,2.88,5,0.326,0.58,0.922,0.3742461106161332,0.3590055513672812,0.09687478582687958,0.10490199438009733,0.23375711054759782
EOS-3-53498,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cncs5)n34)c2)cn1,CTERDHCOCXBNNB-UHFFFAOYSA-N,3,1,0.453,7,720,402.443,2.987,5,0.442,0.72,1.0,0.364865327941882,0.23338016585566446,0.15679185799465423,0.11870331025974916,0.21843516551298744
EOS-3-53499,Fc1cnc(COc2cncc3nnc(-c4nncnc4-c4ccccn4)n23)cn1,AIYWLILNDPCFOS-UHFFFAOYSA-N,3,1,0.419,7,94,402.353,1.546,5,0.427,0.69,0.919,0.45799636762387774,0.3968285244328696,0.06741313138235899,0.08881330957439518,0.2527628332533754
EOS-3-53500,Cn1nc(-c2cc(COc3cncc4nnc(-c5ccnc(F)c5)n34)ncn2)n1C,PLZNZGAMTPCLAB-UHFFFAOYSA-N,3,1,0.483,36,185,406.385,1.433,5,0.403,0.59,0.999,0.38564868754711806,0.4472191762045096,0.04662977177712289,0.04406826125693921,0.23089147419642245
EOS-3-53501,Cc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc(-c2cc(F)cc(F)c2F)n1,WOAFJLPSPMFDQV-UHFFFAOYSA-N,3,1,0.49,88,490,480.425,4.735,5,0.258,0.57,1.0,0.9102957302446714,0.8705280652456994,0.9210043862655062,0.9096189431841546,0.9028617812350079
EOS-3-53502,Fc1ccc(Cl)c(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)c(F)c2)n1,DVAWGWWNHYYMTH-UHFFFAOYSA-N,3,1,0.375,45,102,472.257,6.244,5,0.292,0.73,1.0,0.4898053594681653,0.7895706257281886,0.9907134534987321,0.9976440956754163,0.8169333835926256
EOS-3-53503,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)s2)cc1,OVXZNUNJXUUICP-UHFFFAOYSA-N,3,1,0.353,69,479,445.551,6.557,6,0.308,0.78,1.0,0.08847919950654513,0.19902679734082654,0.7930744979782057,0.7928260571585224,0.4683516379960249
EOS-3-53504,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccc2Cl)nc1,KHRTYZJACLHIRB-UHFFFAOYSA-N,3,1,0.553,34,71,483.746,5.788,5,0.315,0.71,1.0,0.735119251593448,0.9290744294428072,0.9180659310533891,0.9561116441642108,0.8845928140634638
EOS-3-53505,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1,ZIQWHRXXCZMNDF-UHFFFAOYSA-N,3,1,0.414,83,533,403.367,4.938,5,0.428,0.78,1.0,0.44162497429922554,0.755517099581934,0.9657408676581455,0.977588924679597,0.7851179665547254
EOS-3-53506,Fc1cc(-c2nnc3cncc(Oc4ncc(Cl)cc4Cl)n23)ccc1-c1ncc(Cl)cn1,JFAMBCHBNOBNLS-UHFFFAOYSA-N,3,1,0.412,73,82,488.697,5.535,5,0.328,0.71,1.0,0.9266585566445069,0.894626824754986,0.8694229319443493,0.9194537728736892,0.9025405215543829
EOS-3-53507,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4cnn(-c5ccc(Cl)nn5)n4)n23)s1,JQMCEWWNBQIKQN-UHFFFAOYSA-N,3,1,0.322,10,507,490.915,4.053,6,0.363,0.57,0.082,0.011642450825851552,0.1569374957165376,0.12966897402508396,0.26995236789801935,0.1420503221163731
EOS-3-53508,Cc1ccnc(-n2cc(COc3cncc4nnc(-c5ccc(F)nc5)n34)cn2)c1,CPOJIXUVGURUTP-UHFFFAOYSA-N,3,1,0.438,55,283,402.393,2.794,5,0.417,0.76,1.0,0.314885888561442,0.3445874169008293,0.41408231101363857,0.36005928311973134,0.35840372489891026
EOS-3-53509,Fc1cccc(C#Cc2ccc(-c3nnc4cncc(-c5ccc(-c6cccc(F)c6)cn5)n34)cn2)c1,WPOFFBUAFLBWQE-UHFFFAOYSA-N,3,1,0.35,30,93,486.485,5.593,6,0.305,0.73,1.0,0.2694811870331026,0.5511702419299568,0.9517853471317935,0.9567884312247276,0.682306301829895
EOS-3-53510,Fc1cc(Cl)cc(Oc2cncc3nnc(-c4csc(-c5ccc(Cl)nc5)c4)n23)c1,HPENWXZKJWMMNI-UHFFFAOYSA-N,3,1,0.464,13,284,458.305,6.153,5,0.302,0.69,1.0,0.5957696525255294,0.7004660407100267,0.9412994311561922,0.9645757658830786,0.8005277225687067
EOS-3-53511,Cc1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4OCc4cccc(Cl)c4)n23)cc1,ZPDXHVVXKMGGJJ-UHFFFAOYSA-N,3,1,0.422,83,504,461.352,6.653,5,0.294,0.84,0.999,0.5810431087656774,0.695300185045576,0.9670601740799123,0.9747104379411966,0.8045284764580906
EOS-3-53512,CCn1c(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)nc(C)n2)nc(C)c1C,GEPTXVGQZMYUMR-UHFFFAOYSA-N,3,1,0.4,31,851,489.971,4.06,5,0.336,0.61,0.957,0.4030481118497704,0.2641354259475019,0.037437461448838326,0.04407682818175588,0.18717445685696663
EOS-3-53513,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4Cl)n23)ccc1-c1cnn(CC)c1,UYIKVXVNOJURQX-UHFFFAOYSA-N,3,1,0.389,13,251,480.359,5.731,5,0.309,0.69,0.998,0.309625796724008,0.4340432458364745,0.5606024261531081,0.6110102117743814,0.478820420121993
EOS-3-53514,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5nccc(C)c5F)c(F)c4)n23)ccc1Cl,BQYZLLSJHHNESC-UHFFFAOYSA-N,3,1,0.585,59,521,477.902,5.981,5,0.311,0.68,1.0,0.9596926187375779,0.9627852785963951,0.9639589472962785,0.9561202110890274,0.9606392639298198
EOS-3-53515,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(C#Cc5ccc(Cl)nc5)nc4)n23)cnn1,MQCZMJLAAWVHAQ-UHFFFAOYSA-N,3,1,0.32,99,112,492.894,2.282,6,0.267,0.74,0.996,0.09815982454937976,0.2694040847097526,0.23828044685079844,0.3095658282502913,0.2288525460900555
EOS-3-53516,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ncccn5)n4)n23)cc1,RMKMPUFHDINYNR-UHFFFAOYSA-N,3,1,0.525,89,398,496.506,3.296,6,0.348,0.79,1.0,0.6210249468850662,0.21326502638612843,0.11846343636488246,0.1431790144609691,0.2739831060242615
EOS-3-53517,N#Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)c2)cn1,ZDWCYLXWSUINBX-UHFFFAOYSA-N,3,1,0.469,89,656,495.478,2.793,5,0.343,0.71,1.0,0.47495031183606334,0.15310808032348708,0.4140908779384552,0.2759492152696868,0.32952462134192306
EOS-3-53518,COCc1ncc(-c2ccnc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)cn5)n34)c2)cn1,KEBPNNJYRDBZMH-UHFFFAOYSA-N,3,1,0.414,27,840,494.437,3.783,5,0.333,0.73,1.0,0.4486841203481598,0.46910766911109586,0.8721472140360497,0.7146700020560619,0.6261522513878418
EOS-3-53519,Clc1cccc(-c2nnc3cncc(CCc4ccc(Cl)c(Cl)c4)n23)c1,GOLXVQIHHFJZTN-UHFFFAOYSA-N,3,1,0.549,23,86,403.7,5.537,4,0.449,0.9,1.0,0.47997909670344735,0.7555256665067507,0.9579535329997944,0.9874066205194983,0.7952162291823727
EOS-3-53520,COCc1ccnc(-c2cccc(-c3cncc4nnc(-c5cnc(C)cc5-c5cccnc5)n34)n2)n1,VHUAUQVWSLZPKC-UHFFFAOYSA-N,3,1,0.272,32,557,487.527,4.222,6,0.34,0.5,1.0,0.21823384277979577,0.14530361181550272,0.2891165787129052,0.24604208073469946,0.2246740285107258
EOS-3-53521,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccn(-c5nccs5)n4)n23)nc1F,PCJFXHXHDHKRMU-UHFFFAOYSA-N,3,1,0.352,46,843,488.512,3.43,6,0.314,0.59,0.76,0.2044924953738606,0.2388201631142485,0.11253512439174834,0.09273696114042904,0.1621461860050716
EOS-3-53522,Cc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4Cl)n23)cn1,GUMKOMHBKMWZNT-UHFFFAOYSA-N,3,1,0.653,68,127,402.792,4.06,4,0.468,0.67,1.0,0.8301435816599273,0.8019498320882736,0.8608303063532314,0.7905215543828388,0.8208613186210677
EOS-3-53523,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cccnc5Cl)n34)cs2)ccc1Cl,NOXXOGCKPHGHPT-UHFFFAOYSA-N,3,1,0.462,97,109,468.369,6.109,5,0.291,0.75,1.0,0.5701631142485094,0.5555907751353574,0.8931190459872524,0.9129514769378384,0.7329561030772394
EOS-3-53524,Cc1ccoc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)cc4)n23)[nH]1,XNKQNUQBNNEYGH-UHFFFAOYSA-N,3,1,0.23,9,7,408.425,4.14,6,0.453,0.5,1.0,0.1269446919333836,0.09510143238982935,0.48233500102803095,0.442541635254609,0.28673069015146324
EOS-3-53525,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCCc4cc(Cl)sc4Cl)n23)c1,SLDNIVZDVWJRBT-UHFFFAOYSA-N,3,1,0.524,15,931,486.388,5.06,5,0.32,0.63,1.0,0.462579672400795,0.46911623603591257,0.34012404907134536,0.4488982934685765,0.43017956274415736
EOS-3-53526,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cncs5)n34)cnn2)nc1,FDDDXCDKXUDMFY-UHFFFAOYSA-N,3,1,0.471,92,65,403.431,2.382,5,0.436,0.66,1.0,0.39664861901171955,0.32968953464464396,0.05940305667877459,0.04955966006442328,0.20882521759989034
EOS-3-53527,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cocn5)n34)ccn2)cn1,BNBUVSHQHIIORK-UHFFFAOYSA-N,3,1,0.627,75,525,403.377,2.997,5,0.399,0.71,1.0,0.7260982797614968,0.6516602700294702,0.4216297717771229,0.39222808580631896,0.5479041018436022
EOS-3-53528,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccc(OC(F)F)n4)n23)cn1,JYPCMGVVFWOGNR-UHFFFAOYSA-N,3,1,0.353,68,127,398.333,1.604,4,0.538,0.83,0.703,0.6744911246658899,0.505362894935234,0.2596806250428346,0.17455966006442328,0.4035235761770955
EOS-3-53529,Cc1cc(COc2cncc3nnc(-c4cc(-c5cncs5)ncn4)n23)n(C)n1,JVSWAQFPZRIPBJ-UHFFFAOYSA-N,3,1,0.376,31,662,405.447,2.326,5,0.438,0.55,0.898,0.17911726406689055,0.1169899252964156,0.05004797477897334,0.029624426016037285,0.09394489753957919
EOS-3-53530,O=C(NC1CCOC1)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cnccn5)n4)n23)cc1,RFDBTSUOPQGPOX-UHFFFAOYSA-N,3,1,0.407,89,943,495.503,2.136,6,0.357,0.7,1.0,0.3347868549105613,0.009603522719484614,0.05941162360359126,0.050776163388390104,0.11364454115550682
EOS-3-53531,Cc1ccc(-c2nnc3cncc(Cn4ccnc4-c4cc(F)ccc4F)n23)cc1,IQQRHSVBHZYHBS-UHFFFAOYSA-N,3,1,0.394,14,358,402.408,4.29,5,0.45,0.75,1.0,0.3833870193955178,0.4734682338427798,0.7975721335069563,0.8287129052155439,0.6207850729901995
EOS-3-53532,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)ccn2)c1,PBZFXMKEWMLADH-UHFFFAOYSA-N,3,1,0.488,55,99,402.393,2.7,5,0.446,0.66,1.0,0.6865790555822082,0.5188301007470358,0.47516448495648,0.4109296826811048,0.5228758309917072
EOS-3-53533,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4cnccn4)n23)c1,KARCMFWASWGPAE-UHFFFAOYSA-N,3,1,0.542,7,815,402.393,2.7,5,0.446,0.66,1.0,0.44389520937564253,0.4064320471523542,0.5029384552121171,0.4425502021794257,0.4489539784798849
EOS-3-53534,CCc1ncc(-c2ncccc2-c2nnc3cncc(-c4cccc(-n5nc(C)nc5C)n4)n23)cc1F,JPECAOGCZXALCW-UHFFFAOYSA-N,3,1,0.295,70,968,492.522,4.209,6,0.352,0.65,0.737,0.035132958673154684,0.12034815982454938,0.0995562332944966,0.10281166472483037,0.08946225412925776
EOS-3-53535,CC1CN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)cc2)CC(C)O1,KINZZNXBTYQGDG-UHFFFAOYSA-N,3,1,0.296,0,782,497.559,2.995,6,0.451,0.72,1.0,0.07343567952847646,0.013749914330751834,0.05382598862312384,0.07650263861284354,0.054378555273798916
EOS-3-53536,Fc1cc(Cl)ccc1COc1ccc(-c2nnc3cncc(CCCc4ccccc4)n23)cc1,IJOJJWLGNOKTCK-UHFFFAOYSA-N,3,1,0.704,79,397,472.951,6.338,5,0.264,0.82,1.0,0.9227520389281064,0.9643273250633952,0.9105270372147214,0.9257590295387568,0.9308413576862449
EOS-3-53537,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccns4)n23)c1,WNQWFUGMQCXHRU-UHFFFAOYSA-N,3,1,0.506,26,448,403.471,3.71,5,0.43,0.69,1.0,0.30445994105955726,0.18567096155164142,0.26304742649578505,0.21983585772051265,0.2432535467068741
EOS-3-53538,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cncc(F)c5)o4)n23)n1,PDQJQIFCVPHKEA-UHFFFAOYSA-N,3,1,0.43,46,128,403.377,3.263,5,0.44,0.63,0.999,0.49464567198958265,0.3540281680487972,0.407442944280721,0.35361695565759715,0.4024334349941745
EOS-3-53539,Fc1cnc(-c2ccnnc2)cc1-c1cccc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,LQVIPOGTCVXMKA-UHFFFAOYSA-N,3,1,0.449,40,355,491.49,3.861,6,0.328,0.59,1.0,0.6528853402782537,0.6613751627715715,0.5509732026591735,0.52498971969022,0.5975558563498047
EOS-3-53540,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)nc1,SXPKNBGZWQGGTH-UHFFFAOYSA-N,3,1,0.398,51,435,401.365,2.151,5,0.436,0.7,1.0,0.5840329655266946,0.5464755671304229,0.2819803303406209,0.27595778219450345,0.42211166129806044
EOS-3-53541,Cc1ncc(-c2cncc(-c3nnc4cncc(OCc5nccs5)n34)c2)nn1,OPPLZGHEYITKMF-UHFFFAOYSA-N,3,1,0.542,92,36,403.431,2.382,5,0.436,0.68,1.0,0.3044685079843739,0.3104139538071414,0.06340381056815846,0.05078473031320677,0.18226775066822012
EOS-3-53542,Fc1ccc(Cl)c(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cc2)c1F,MIJUPCCHOANEHG-UHFFFAOYSA-N,3,1,0.462,83,533,453.279,6.71,5,0.285,0.87,1.0,0.5228308546364198,0.9037848673840039,0.9932920978685491,0.9988948666986499,0.8547006716469057
EOS-3-53543,COc1cnc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nc1,GRVHSCSIWPTDMS-UHFFFAOYSA-N,3,1,0.313,50,356,401.365,2.248,5,0.447,0.72,1.0,0.40305667877458706,0.42044753615242275,0.16014152559797135,0.21437872661229526,0.2995061167843191
EOS-3-53544,COc1cc(-c2nnc3cncc(OCc4cccc(-c5nncn5C)n4)n23)ccc1-c1ccncn1,OQZWMWKLAUSLFT-UHFFFAOYSA-N,3,1,0.465,81,609,492.503,3.026,6,0.328,0.6,1.0,0.35813172503598106,0.18140463299294085,0.20642005345761086,0.1319477760263176,0.21947604687821257
EOS-3-53545,COc1ncc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)o4)n23)cn1,OOTUWUFRXPSMEZ-UHFFFAOYSA-N,3,1,0.443,7,242,403.362,1.614,5,0.408,0.65,0.999,0.5074703584401343,0.1990353642656432,0.0287420327599205,0.010306010554451375,0.18638844150503733
EOS-3-53546,Cc1cc(-c2nnc3cncc(OCc4ccc(-c5csnn5)cn4)n23)ccn1,TXGPZVNWPBCEIF-UHFFFAOYSA-N,3,1,0.543,4,677,402.443,2.987,5,0.442,0.7,1.0,0.2667226372421356,0.29017031046535535,0.22744328695771365,0.17456822698923993,0.2397261154136111
EOS-3-53547,CSc1nc(-c2ccc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)s2)c[nH]1,PLYPSUSMTIGPLQ-UHFFFAOYSA-N,3,1,0.283,76,543,487.549,4.623,6,0.351,0.56,0.09,0.1134517853471318,0.25900383798231785,0.2453395928997327,0.33125728188609416,0.23726312452881912
EOS-3-53548,Fc1c(F)c(F)c(-c2cc(COc3cncc4nnc(-c5ccncc5)n34)ccn2)c(F)c1F,YOWOFJBJLVZHSQ-UHFFFAOYSA-N,3,1,0.525,59,577,470.361,4.523,5,0.214,0.57,1.0,0.8516208621753135,0.8618840381056816,0.9804331437187307,0.9690734014118292,0.9157528613528887
EOS-3-53549,N#Cc1cc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)ccc1F,ZIXPEVFRXHFRNM-UHFFFAOYSA-N,3,1,0.523,57,962,475.405,5.465,5,0.249,0.68,1.0,0.9583219107669111,0.9643358919882119,0.9939346172297991,0.995433829072716,0.9780065622644095
EOS-3-53550,Fc1ccccc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)c(F)c1,NGWJFNVNRUIMHB-UHFFFAOYSA-N,3,1,0.459,57,236,454.358,5.946,5,0.249,0.69,1.0,0.9327839078884244,0.9643444589130286,0.9947827427866494,0.997729764923583,0.9724102186279213
EOS-3-53551,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nccc5ccccc45)cc3)n12,UTLBSDXODFLLFG-UHFFFAOYSA-N,3,1,0.675,12,650,477.955,6.281,6,0.282,0.78,1.0,0.9779487355218971,0.9744791309711466,0.8721557809608663,0.902696867932287,0.9318201288465493
EOS-3-53552,COc1nc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)ccc1-c1ncccc1C,OWEJTTMZUMQESS-UHFFFAOYSA-N,3,1,0.424,49,501,491.914,4.374,5,0.331,0.65,0.994,0.6956514289630594,0.6226098279761497,0.4719775889246796,0.4172777739702556,0.5518791549585361
EOS-3-53553,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccncn5)cc4F)n23)on1,HYLYVPHFFIBZNN-UHFFFAOYSA-N,3,1,0.529,16,256,403.377,3.263,5,0.44,0.68,1.0,0.7733020355013365,0.7004746076348434,0.49251250771023236,0.4299996573230073,0.5990722020423549
EOS-3-53554,Cc1csc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)cs5)n34)c(Cl)cn2)n1,JWSJPNMZNHBASL-UHFFFAOYSA-N,3,1,0.506,24,486,475.386,5.566,5,0.331,0.59,1.0,0.6012781851826469,0.7282828455897471,0.4546552669453773,0.5582807895277911,0.5856242718113905
EOS-3-53555,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccc(C(F)(F)F)nn5)ccc4Cl)n23)cn1,ZIZPGVKWBLIHQL-UHFFFAOYSA-N,3,1,0.393,96,121,496.84,4.081,5,0.397,0.77,0.993,0.2991827153724899,0.46472140360496195,0.8955606195600028,0.8367572476183949,0.6240554965389624
EOS-3-53556,Cc1ccc(Oc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cn4)n23)cn1,XDYOTADKTJJBBG-UHFFFAOYSA-N,3,1,0.389,46,775,400.377,3.278,5,0.453,0.81,1.0,0.8069272154067576,0.6320420121993009,0.37032245905009936,0.312538551161675,0.5304575594544583
EOS-3-53557,CC#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nc5)nc4OC)n23)ccc1F,XDLYKWJORFNFGF-UHFFFAOYSA-N,3,1,0.434,4,710,485.454,3.881,5,0.264,0.61,1.0,0.6127835652114317,0.6756219587416901,0.647488177643753,0.4888886985127818,0.6061956000274142
EOS-3-53558,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnnc(-c6ccsc6)n5)nn4C)n23)cc1,QCUDMUQAOCWJNT-UHFFFAOYSA-N,3,1,0.308,74,333,494.544,3.132,6,0.387,0.64,1.0,0.09337948050167912,0.0679956822698924,0.11551641422794874,0.08000651086286066,0.08922452196559523
EOS-3-53559,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(C)n4)n23)cc1-c1cnc(C)c(F)c1,YKHQNPAPXIMVGG-UHFFFAOYSA-N,3,1,0.469,87,657,489.486,4.168,5,0.336,0.59,1.0,0.7013570008909602,0.6134946199712151,0.5773507641696937,0.4206360084983894,0.5782095983825647
EOS-3-53560,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ncc2F)ccn1,GQXDDORGTSBLBF-UHFFFAOYSA-N,3,1,0.655,1,996,482.397,4.707,5,0.245,0.63,1.0,0.9536101021177438,0.9759697758892468,0.9711722979919128,0.9554434240285107,0.9640489000068535
EOS-3-53561,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cc(C(F)(F)F)n2)c1,LCMWEFARRYTPBM-UHFFFAOYSA-N,3,1,0.517,1,679,484.388,5.124,5,0.255,0.69,1.0,0.9159584675484888,0.9164210814885888,0.9885802892193818,0.9738537454595299,0.9487033959289972
EOS-3-53562,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4scnc4-c4ccc(F)cn4)n23)c(F)c1,PLRQVBWEELWRTR-UHFFFAOYSA-N,3,1,0.291,42,693,486.511,4.964,6,0.35,0.54,0.999,0.14906449181001988,0.2953532999794394,0.5509817695839901,0.5836988554588445,0.3947746042080735
EOS-3-53563,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cn2)n1,ZJYMIOZFXHAKDU-UHFFFAOYSA-N,3,1,0.46,55,565,403.381,2.095,5,0.411,0.65,1.0,0.5458844493180728,0.5142724967445685,0.24898053594681652,0.21438729353711192,0.3808811938866424
EOS-3-53564,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccccn5)nc(Cl)c4Cl)n23)cc1,DXIVRTSMAIWHNJ-UHFFFAOYSA-N,3,1,0.593,34,232,483.746,5.788,5,0.295,0.72,1.0,0.9544924953738606,0.9744876978959632,0.8931276129120691,0.9378383935302583,0.9399865499280378
EOS-3-53565,CCOCn1nccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5OC)nn4)n23)cc1,YTMKPWZITJMNQC-UHFFFAOYSA-N,3,1,0.327,3,39,493.531,3.905,6,0.314,0.76,1.0,0.09113494619971216,0.1080717565622644,0.2596891919676513,0.19921526968679323,0.16452779110410526
EOS-3-53566,Cc1ccc(F)c(-c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)c(F)c2)n1,FUIMGMBSJFKDNT-UHFFFAOYSA-N,3,1,0.407,45,533,483.4,5.847,5,0.294,0.72,1.0,0.7137876087999452,0.9218782125968062,0.989993831814132,0.9890857377835652,0.9036863477486121
EOS-3-53567,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cc1F,IDVFTZYUPJEQGJ-UHFFFAOYSA-N,3,1,0.684,23,721,400.816,4.653,4,0.489,0.82,1.0,0.9896425878966486,0.9909790281680488,0.9653553560413953,0.9690819683366458,0.9787647351106847
EOS-3-53568,CC1(NC(=O)c2ccc(-c3nnc4cncc(OCc5ccc(-c6ncccn6)cc5)n34)cc2)COC1,RYVFFJRCWXOJJR-UHFFFAOYSA-N,3,1,0.506,89,637,493.527,3.346,6,0.367,0.66,1.0,0.460258035775478,0.1606898087862381,0.35164656294976354,0.24332636556781578,0.30398019326982384
EOS-3-53569,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnn(C)c5)cn4)n23)n(C)n1,MPTIZBWXINPOOQ-UHFFFAOYSA-N,3,1,0.409,92,662,401.434,2.208,5,0.445,0.75,1.0,0.18788979507915837,0.12404907134534987,0.12667055033925023,0.06533136865190871,0.1259851963539168
EOS-3-53570,COc1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)ccc1-c1nncc(C)n1,DIJQGSUMUQCJKY-UHFFFAOYSA-N,3,1,0.563,27,51,494.437,3.953,5,0.346,0.7,1.0,0.8757024878349667,0.7100181618806113,0.8484253992186964,0.6110187786991982,0.7612912069083682
EOS-3-53571,Cn1cnc(-c2cc(COc3cncc4nnc(-c5cnccc5F)n34)ncn2)n1,YHMVRONOKNYCKV-UHFFFAOYSA-N,3,1,0.467,7,185,404.369,1.49,5,0.429,0.57,0.998,0.38339558632033444,0.39683709135768624,0.10468782125968062,0.10704372558426427,0.24799105613049138
EOS-3-53572,Cc1cc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6cncnn6)c5)n34)c2)ccc1F,NFVOUWDCFCTPDG-UHFFFAOYSA-N,3,1,0.4,77,177,490.502,4.732,6,0.33,0.63,1.0,0.6653587828113221,0.5142810636693852,0.7734219724487698,0.7361387156466315,0.6723001336440271
EOS-3-53573,OCc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1Cl,JPUXNJNQNBODRT-UHFFFAOYSA-N,3,1,0.716,48,231,398.825,3.698,4,0.536,0.89,1.0,0.9706839832773627,0.9802275375231307,0.9306850113083408,0.9352854499348914,0.9542204955109315
EOS-3-53574,Cc1cc(COc2cncc3nnc(-c4cncc(-c5n[nH]c(C)n5)c4)n23)n(C)n1,MQVZBCOUZBQCLV-UHFFFAOYSA-N,3,1,0.396,92,662,402.422,1.901,5,0.473,0.71,1.0,0.24017373723528201,0.18141319991775753,0.04035878281132205,0.017647865122335685,0.11989839627167431
EOS-3-53575,CN=c1cc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)ncn2)[nH]cn1,YKVVXBSLKCBFFA-UHFFFAOYSA-N,3,1,0.346,46,395,464.852,2.268,5,0.392,0.41,0.288,0.4872438489479816,0.38744774175861835,0.41791172640668905,0.3667586183263656,0.4148404838599137
EOS-3-53576,CCOc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1,OPINBVOLTCCCDW-UHFFFAOYSA-N,3,1,0.59,90,555,400.801,3.352,4,0.49,0.74,1.0,0.8172589267356589,0.9471763415804263,0.6237235282023165,0.5867486806935782,0.743726869302995
EOS-3-53577,COc1ccc(C(F)F)cc1-c1nnc2cncc(Oc3ccc(-c4cccc(C)c4C)cn3)n12,PVFLHBUXCLTPHZ-UHFFFAOYSA-N,3,1,0.406,1,528,473.483,6.209,5,0.292,0.77,1.0,0.6806678774587074,0.5008395586320334,0.9474419162497429,0.8618583373312316,0.7477019224179288
EOS-3-53578,Fc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccc6F)nc5)n34)nn2)c1,AJXCRXRHKIFRJX-UHFFFAOYSA-N,3,1,0.419,77,177,494.465,4.563,6,0.332,0.82,1.0,0.6985556164759098,0.7725738468919197,0.6588907545747379,0.7198958261942293,0.7124790110341991
EOS-3-53579,c1ncc(CCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)nn1,SXIFHOHQRJJGPC-UHFFFAOYSA-N,3,1,0.469,65,349,402.443,2.721,5,0.427,0.69,1.0,0.45586320334452746,0.34459598382564594,0.15375916660955383,0.1883609759440751,0.28564483243095057
EOS-3-53580,Cc1cc2nc(Cl)c(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)cc2c(C(F)(F)F)n1,XFHVLDPYHANAOL-UHFFFAOYSA-N,3,1,0.351,45,315,476.796,5.66,5,0.243,0.72,1.0,0.5701716811733261,0.7895791926530052,0.9915958467548489,0.987672195188815,0.8347547289424988
EOS-3-53581,Cc1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4OCc4ccc(Cl)c(F)c4)n23)cn1,KRIHVOUJEAOLJQ-UHFFFAOYSA-N,3,1,0.448,57,533,480.33,6.187,5,0.3,0.77,1.0,0.6381759303680351,0.7895877595778219,0.9705126447810294,0.9730827222260298,0.842839764238229
EOS-3-53582,COC1CN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)cc2)C1,JOJFPJGNZVXPQH-UHFFFAOYSA-N,3,1,0.479,0,901,498.543,2.402,6,0.416,0.87,1.0,0.15455589061750394,0.016568432595435542,0.005662737303817422,0.017065314234802276,0.04846309368788979
EOS-3-53583,COc1cc(C(F)(F)F)ccc1-c1nnc2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3)n12,NIDWUPLLQNZGHN-UHFFFAOYSA-N,3,1,0.344,0,21,497.477,4.083,5,0.457,0.79,0.999,0.2588839010348845,0.28485881707902133,0.6207422383661161,0.6546843944897539,0.454792337742444
EOS-3-53584,Cc1nc(Cl)ncc1Cc1cncc2nnc(-c3cnc(-c4cn[nH]c4)cn3)n12,MCMSFBVKUYVHQR-UHFFFAOYSA-N,3,1,0.26,7,674,404.825,2.314,5,0.452,0.57,1.0,0.2126653416489617,0.22868549105613048,0.11847200328969913,0.1457319580563361,0.17638869851278186
EOS-3-53585,CCc1nc(-c2nnc3cncc(OCc4cn(-c5ccccc5)nn4)n23)ccc1-c1cnc(C)cn1,RNOXWHNSSSFUSJ-UHFFFAOYSA-N,3,1,0.54,6,104,490.531,3.674,6,0.33,0.57,0.918,0.03514152559797135,0.09182030018504557,0.09016688369542869,0.07260468782125969,0.07243334932492633
EOS-3-53586,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccncc5)n34)c2)s1,RCGKWQCPKICSOM-UHFFFAOYSA-N,3,1,0.512,72,506,401.455,3.592,5,0.444,0.8,1.0,0.4140137756151052,0.33450414639161125,0.24534815982454938,0.21701733945582893,0.3027208553217737
EOS-3-53587,Fc1cccc(F)c1Oc1cncc2nnc(-c3cc(-c4cnccn4)ccn3)n12,DPAWFTXGCRAIPC-UHFFFAOYSA-N,3,1,0.402,13,110,403.352,3.714,5,0.452,0.61,1.0,0.6865876225070249,0.6182835309437325,0.7527928174902337,0.7436604756356658,0.7003311116441642
EOS-3-53588,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5nc(C)cs5)n4)n23)c(F)n1,CQVUXBFHZDBRHQ-UHFFFAOYSA-N,3,1,0.433,4,268,494.487,3.23,5,0.357,0.66,0.974,0.5023302035501337,0.4691248029607292,0.14466109245425263,0.10282023164964704,0.3047340826536906
EOS-3-53589,CCN=c1nnc(-c2ccc(-c3cncc4nnc(-c5cncnc5-c5ccccn5)n34)s2)n[nH]1,YSUMGTUTYZBLEA-UHFFFAOYSA-N,3,1,0.29,76,892,480.521,2.472,6,0.393,0.47,0.002,0.02678877390172024,0.024364334178603248,0.015514700842985401,0.01521485847440203,0.020470666849427728
EOS-3-53590,FC(F)c1ccnc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1,LGJHGNQEVQSCTK-UHFFFAOYSA-N,3,1,0.547,90,127,402.792,3.794,4,0.456,0.64,0.987,0.8147402508395586,0.9523935987937769,0.8761822356247002,0.8618669042560483,0.876295747378521
EOS-3-53591,Fc1ccc(-c2cc(Cl)c(F)c(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)nc1,DOYINIDVYQIMJS-UHFFFAOYSA-N,3,1,0.44,59,526,486.269,4.807,5,0.33,0.55,1.0,0.7875830991707217,0.9335977657460078,0.8666986498526489,0.9051555753546707,0.8732587725310123
EOS-3-53592,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(F)cc5)n34)nc2)n1,PDLKHPLLHCFCHH-UHFFFAOYSA-N,3,1,0.507,13,412,401.405,3.827,5,0.455,0.83,1.0,0.7201271331642793,0.6953087519703927,0.49585360838873277,0.43925193612500857,0.5876353574121034
EOS-3-53593,Cc1ncc(-c2nnc3cncc(OCc4cncc(-c5nnc(C)o5)c4)n23)cn1,PGHWRVDRAQHGJL-UHFFFAOYSA-N,3,1,0.477,92,36,401.39,2.222,5,0.432,0.74,1.0,0.4140223425399219,0.20839901309026113,0.08525803577547804,0.046818244123089575,0.18862440888218765
EOS-3-53594,Cc1cnc(-c2ccnc(COc3cncc4nnc(-c5cncc(-c6cncc(F)c6)c5)n34)c2)cn1,RQXSXTKOMJUHQT-UHFFFAOYSA-N,3,1,0.479,80,200,491.49,4.127,6,0.339,0.6,1.0,0.507478925364951,0.5464841340552395,0.5836388869851278,0.5152491261736687,0.5382127681447467
EOS-3-53595,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncs5)n4)n23)cn1,KXZBDWRFCOKFPK-UHFFFAOYSA-N,3,1,0.524,7,205,402.443,2.987,5,0.442,0.71,1.0,0.4512456308683435,0.46472997052977866,0.1184805702145158,0.08882187649921185,0.28081951202796246
EOS-3-53596,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5cncs5)cc4)n23)cc1Cl,ARXAMEKTQQZCOE-UHFFFAOYSA-N,3,1,0.32,69,38,485.935,5.831,6,0.312,0.76,1.0,0.32203070385854293,0.47347680076759646,0.8533599479130971,0.8936844630251525,0.6356379788910972
EOS-3-53597,CCc1nc(-c2nnc3cncc(OCCc4ncc5ccccc5n4)n23)ccc1-c1cccc(C)n1,ILACQCZISIFDHL-UHFFFAOYSA-N,3,1,0.366,28,891,488.555,4.684,6,0.319,0.59,0.687,0.4280720992392571,0.3052223973682407,0.13255602768830102,0.1255311493386334,0.24784541840860805
EOS-3-53598,Cn1cc(-c2cccnc2COc2cncc3nnc(-c4ccccc4F)n23)cn1,QOBCSDLJGCLZNC-UHFFFAOYSA-N,3,1,0.542,4,10,401.405,3.305,5,0.449,0.73,1.0,0.4439037763004592,0.4962476869302995,0.5639692276060585,0.5351929271468714,0.5098284044959221
EOS-3-53599,Cn1sc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)c(Cl)n4)n23)c(F)c1=O,HOAISHXRIWFFMF-UHFFFAOYSA-N,3,1,0.389,46,223,487.879,3.519,5,0.35,0.5,1.0,0.4725001713384963,0.4602666027002947,0.38916969364676857,0.5082156808991845,0.457538037146186
EOS-3-53600,CC(C)c1cnc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cn4)n23)s1,HHNSJURLSLUMSF-UHFFFAOYSA-N,3,1,0.28,50,432,403.475,3.229,5,0.454,0.66,0.404,0.04995373860598999,0.013758481255568502,0.04329723802343911,0.020869028853402784,0.031969621684600096
EOS-3-53601,Cn1nccc1-c1cc(-c2nnc3cncc(Cc4cccnc4)n23)nc(CF)n1,MLCOTGAMLZATOS-UHFFFAOYSA-N,3,1,0.303,85,60,401.409,2.437,5,0.446,0.72,0.996,0.09582105407442944,0.06800424919470907,0.08766534164896168,0.09465595229936262,0.0865366493043657
EOS-3-53602,Cn1cnc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)nn5)n34)c2)n1,UDGKALUHSWWFKU-UHFFFAOYSA-N,3,1,0.506,36,208,403.381,2.095,5,0.439,0.57,1.0,0.42808066616407375,0.41594990062367215,0.19244739908162567,0.16911109588102255,0.30139726543759854
EOS-3-53603,CCc1cnc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4F)n23)cn1,YRYVJYMFTUHHRT-UHFFFAOYSA-N,3,1,0.323,68,244,403.248,4.18,4,0.478,0.63,1.0,0.3509783428140635,0.3733551504351998,0.7641525597971353,0.8445445822767459,0.5832576588307861
EOS-3-53604,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)ncn2)c(Cl)cn1,YFLKNSGQIOQYIM-UHFFFAOYSA-N,3,1,0.4,44,194,488.335,4.772,5,0.318,0.63,0.462,0.8096257967240079,0.70048317455966,0.6695908436707559,0.7592008772531013,0.7347251730518812
EOS-3-53605,c1cncc(-c2ccnc(-c3nnc4cncc(OCCc5cncs5)n34)c2)c1,HTJAZEDABFYFEM-UHFFFAOYSA-N,3,1,0.453,18,840,401.455,3.326,5,0.431,0.82,1.0,0.4602666027002947,0.3446045507504626,0.22745185388253034,0.24333493249263244,0.31891448495648
EOS-3-53606,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4Cl)n23)c1,QNXBZQXSTPTRAL-UHFFFAOYSA-N,3,1,0.506,59,445,474.855,4.96,5,0.265,0.59,0.998,0.8253204029881434,0.8969056267562195,0.8906089370159688,0.9051641422794874,0.8794997772599548
EOS-3-53607,CCCCCOc1ncc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)c(Cl)c1C#N,LEURPMBBJPWXCF-UHFFFAOYSA-N,3,1,0.33,63,345,483.91,5.204,4,0.301,0.64,0.662,0.5458930162428894,0.6563720786786376,0.5440939620313893,0.541986498526489,0.5720863888698513
EOS-3-53608,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(OCc6ccccc6)nn5)n34)cc2)n[nH]1,OEPUXJKTBIKKOD-UHFFFAOYSA-N,3,1,0.511,77,755,491.515,3.833,6,0.338,0.62,1.0,0.5928997327119457,0.44257590295387567,0.27813378109793707,0.22883112877801384,0.3856101363854431
EOS-3-53609,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(Cl)c5F)ccn4)n23)c(F)c1,IGKLFCYIBLGAAT-UHFFFAOYSA-N,3,1,0.349,96,26,491.889,4.597,5,0.386,0.6,1.0,0.2802926461517374,0.42487663628264,0.8121701733945583,0.797323692687273,0.5786657871290521
EOS-3-53610,Cc1ccc(-c2nnc3cncc(-c4cc(F)nc(-c5cnnc(F)c5)c4)n23)cn1,QXNLXPIEXRVDGT-UHFFFAOYSA-N,3,1,0.383,82,478,402.368,3.292,5,0.427,0.67,1.0,0.2401823041600987,0.387456308683435,0.6695994105955726,0.6518658762250702,0.48727597491604413
EOS-3-53611,Cc1cc(-c2nnc3cncc(-c4coc(-c5cc(F)cc(Cl)c5)n4)n23)ccc1Br,RASSVYWRJRQJHN-UHFFFAOYSA-N,3,1,0.378,45,140,484.716,5.977,5,0.315,0.76,1.0,0.34191453635802893,0.5945274484271126,0.9172349393461723,0.9370331025974916,0.6976775066822014
EOS-3-53612,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5Cl)n34)cnc2Cl)s1,OJCXTQUZAZLUGY-UHFFFAOYSA-N,3,1,0.438,13,995,473.32,5.856,5,0.305,0.67,1.0,0.6682972380234391,0.8019583990130903,0.8533685148379138,0.889623740662052,0.8033119731341238
EOS-3-53613,Cc1nn(C)cc1-c1ccc(-c2nnc3cncc(OCc4ncn(C)n4)n23)cn1,DDYVUUKGTKQRIZ-UHFFFAOYSA-N,3,1,0.396,92,986,402.422,1.603,5,0.436,0.69,1.0,0.17912583099170723,0.16458775957782196,0.029924268384620655,0.013184497292851758,0.0967055890617504
EOS-3-53614,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(Br)cc4F)n23)cc1F,GSROZZPUNVKCNL-UHFFFAOYSA-N,3,1,0.41,0,646,498.331,4.509,5,0.425,0.86,1.0,0.37657631416626686,0.42488520320745665,0.6293005962579672,0.7464875608251662,0.5443124186142143
EOS-3-53615,Cc1cnc(-c2nnc3cncc(OCc4cccc(-c5ccsc5)n4)n23)cn1,LRFLURRSQLFCOK-UHFFFAOYSA-N,3,1,0.443,7,85,401.455,3.592,5,0.444,0.77,1.0,0.35567301761359743,0.2796501267904873,0.2064286203824275,0.18015386196970734,0.2554764066890549
EOS-3-53616,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(-c5cncs5)c4)n23)cc1,HVLKSKAVXOYTAZ-UHFFFAOYSA-N,3,1,0.646,97,996,486.891,5.144,5,0.294,0.74,1.0,0.967351449523679,0.947184908505243,0.9230176135974231,0.90040093208142,0.9344887259269413
EOS-3-53617,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnco5)n34)ncn2)cn1,DGMIGBAGJRKBOV-UHFFFAOYSA-N,3,1,0.424,18,194,404.365,2.392,5,0.393,0.63,1.0,0.6155678157768487,0.4647385374545953,0.2819888972654376,0.2641354259475019,0.4066076691110959
EOS-3-53618,Fc1cc(Cc2cncc3nnc(-c4ccc(Cl)c(Oc5ccccc5)c4)n23)ccc1Cl,KCFQYYZYELLEQP-UHFFFAOYSA-N,3,1,0.423,79,480,465.315,6.62,5,0.293,0.8,1.0,0.7560396819957508,0.8969141936810363,0.9787026249057639,0.9880148721814818,0.9049178431910082
EOS-3-53619,COc1cnc(-c2cncc3nnc(-c4cncnc4-c4ccncc4)n23)cc1F,XUQYCNICFZSTRO-UHFFFAOYSA-N,3,1,0.325,86,155,400.377,2.853,5,0.454,0.79,0.994,0.40093208142005343,0.3968456582825029,0.4580820368720444,0.41093824960592146,0.41669950654513055
EOS-3-53620,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc(-c2ccc(F)cn2)n1,ILMLIFVOROFJEK-UHFFFAOYSA-N,3,1,0.404,33,344,496.506,3.562,6,0.363,0.76,1.0,0.43029093276677405,0.20356726749366047,0.209949626482078,0.21439586046192857,0.26455092180111023
EOS-3-53621,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nc(C)cc(C)n1,LUGQPKZVUAFRDV-UHFFFAOYSA-N,3,1,0.434,31,690,486.967,4.492,5,0.31,0.56,0.999,0.609733739976698,0.6038054280035638,0.1568004249194709,0.14090021245973544,0.37780995133986706
EOS-3-53622,c1ccc(-c2ncsc2COc2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)cc1,IXAAQEYQWCEHLS-UHFFFAOYSA-N,3,1,0.506,12,427,467.579,6.222,6,0.291,0.79,1.0,0.5810516756904941,0.5279538756767871,0.5509903365088068,0.5807346994722774,0.5601826468370914
EOS-3-53623,Fc1ccc(-c2nnc3cncc(OCCc4ncc[nH]4)n23)cc1-c1cncnc1,QIJFOPBYBSSBHG-UHFFFAOYSA-N,3,1,0.5,87,494,402.393,2.732,5,0.465,0.66,1.0,0.7293280104173806,0.627038928106367,0.4788139949283805,0.47087245562332947,0.5765133472688644
EOS-3-53624,Cc1cnc(-c2nnc3cncc(OCc4c(C)cc(Cl)cc4Cl)n23)cn1,ZDEXUCORVLMNRG-UHFFFAOYSA-N,3,1,0.458,90,244,401.257,4.084,4,0.513,0.73,1.0,0.5097834281406346,0.569657665684326,0.6696079775203893,0.717145843328079,0.6165487286683572
EOS-3-53625,Fc1ncccc1CCOc1cncc2nnc(-c3n[nH]c(-c4cccnc4)n3)n12,XGCBTYSOUQPSPU-UHFFFAOYSA-N,3,1,0.432,65,262,403.381,2.127,5,0.428,0.65,1.0,0.5485144952367899,0.4602751696251114,0.14759954766636968,0.1719467479953396,0.3320839901309026
EOS-3-53626,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3ccc(-c4cccnn4)cc3)n12,IEZJCAXUEYZXPD-UHFFFAOYSA-N,3,1,0.452,81,2,491.515,3.631,6,0.33,0.6,0.998,0.4118120759372216,0.13427797957645124,0.340132615996162,0.22883969570283053,0.27876559180316635
EOS-3-53627,CCc1nc(-c2ccnc(F)c2)cc(-c2nnc3cncc(-c4cnn(C)c4)n23)n1,QUYXZFBYNDEFIR-UHFFFAOYSA-N,3,1,0.269,50,974,401.409,2.745,5,0.427,0.73,0.965,0.07532040298814338,0.1140086354602152,0.17616167500514016,0.1772411075320403,0.13568295524638474
EOS-3-53628,CCn1nc(-c2nc(C)nn2C)cc1-c1cncc2nnc(-c3cccc(F)c3)n12,AIVDZSJMCVSCAV-UHFFFAOYSA-N,3,1,0.423,22,542,403.425,2.918,5,0.458,0.62,1.0,0.13795319032280173,0.19439209101500926,0.03894524021657186,0.06886094167637585,0.11003786580768968
EOS-3-53629,Cc1c[nH]c(-c2cncc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)n1,NKMCXWMFXBKAOQ-UHFFFAOYSA-N,3,1,0.488,65,349,403.471,3.568,5,0.466,0.65,1.0,0.514829346857652,0.3781012267836337,0.26686827496401894,0.21702590638064562,0.3442061887464876
EOS-3-53630,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3c(C)nc(C)nc3Cl)n12,ZXOLRVPJBFNJPQ-UHFFFAOYSA-N,3,1,0.511,15,604,490.955,3.882,5,0.316,0.62,1.0,0.6012867521074635,0.4248937701322733,0.1729833458981564,0.1210078130354328,0.33004292029333154
EOS-3-53631,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5noc(C)n5)cn4)n23)cn1,SLZDXBCZRRTODG-UHFFFAOYSA-N,3,1,0.464,51,85,401.39,2.222,5,0.432,0.79,1.0,0.4096446439586046,0.3636916592419985,0.041823726954972246,0.022445343019669658,0.20940134329381124
EOS-3-53632,COc1cc(-c2cnc(Cl)c(C)n2)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,OGIJOUIVCLITAW-UHFFFAOYSA-N,3,1,0.5,35,604,491.914,4.374,5,0.331,0.64,1.0,0.8069357823315743,0.7190991021862793,0.6262850387225002,0.5515214858474402,0.6759603522719485
EOS-3-53634,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ccccc5Cl)n34)cn2)n1C,DVEYAJBXULGGSZ-UHFFFAOYSA-N,3,1,0.384,96,478,401.861,4.216,5,0.452,0.79,1.0,0.2559111781235008,0.290178877390172,0.5066136659584676,0.5741810019875265,0.4067211808649167
EOS-3-53635,CN(C)C(=O)C(c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nc4)n23)c(F)c1)n1ccnc1,RCXQHNDIXGOEQH-UHFFFAOYSA-N,3,1,0.336,85,81,490.93,3.444,5,0.338,0.54,0.99,0.22364813926392982,0.33451271331642796,0.632170516071551,0.535201494071688,0.43138321568089916
EOS-3-53636,CCCCCc1cnc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cc4Cl)n23)cn1,GRNJHHVEAGIEML-UHFFFAOYSA-N,3,1,0.267,82,523,473.943,5.836,5,0.276,0.69,1.0,0.407417243506271,0.4559660064423275,0.3854859159756014,0.5515300527722569,0.4500998046741142
EOS-3-53637,Cc1ccc(-c2nnc3cncc(OCCc4cc(Cl)cc(F)c4F)n23)cn1,KLGWXPOHDVMWRF-UHFFFAOYSA-N,3,1,0.662,90,281,401.804,4.048,4,0.472,0.72,1.0,0.9560516756904941,0.9709923925707628,0.9142365156603386,0.9072630388595709,0.9371359056952916
EOS-3-53638,CCn1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(Oc6ncccn6)n5)n34)c2)c1,UCMFUIGHKMGGKA-UHFFFAOYSA-N,3,1,0.433,28,667,491.515,4.231,6,0.308,0.69,1.0,0.26673120416695223,0.20357583441847715,0.2854499348913714,0.16130662737303816,0.22926590021245974
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EOS-3-53690,COCc1cnn(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2)n1,FHVZKVHSIDIEMV-UHFFFAOYSA-N,3,1,0.459,89,398,496.531,2.99,6,0.331,0.81,1.0,0.3068672469330409,0.11401720238503187,0.11849770406414914,0.10282879857446371,0.1605527379891714
EOS-3-53691,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)cn(C)c2=O)ncc1F,OPSNHXBZJMKWIC-UHFFFAOYSA-N,3,1,0.417,87,954,492.902,3.064,5,0.332,0.62,1.0,0.47763175930368035,0.30028784867384006,0.23474230690151462,0.2672452196559523,0.3199767836337468
EOS-3-53692,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccco5)nc4)n23)c1,ZTYXHEHWNMHWJW-UHFFFAOYSA-N,3,1,0.646,11,56,401.401,4.207,5,0.424,0.85,1.0,0.846840518127613,0.809728599821808,0.717274347200329,0.7061716126379275,0.7700037694469194
EOS-3-53693,COCc1ncc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cn1,IUFGFYKVZOSKPQ-UHFFFAOYSA-N,3,1,0.476,68,811,401.789,2.494,4,0.454,0.64,1.0,0.6042423411692139,0.6038139949283805,0.46145740524981155,0.43322082105407445,0.5256836406003701
EOS-3-53694,CCc1cc(F)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3)n12,JJINPYJWDFEKMK-UHFFFAOYSA-N,3,1,0.346,61,917,400.421,3.35,5,0.46,0.79,1.0,0.29397402508395587,0.36370022616681513,0.37429751216503326,0.4235915975601398,0.36389084024398605
EOS-3-53695,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)cc4)n23)cc1,OCPXFJKVUWMTPW-UHFFFAOYSA-N,3,1,0.39,69,695,462.463,5.861,6,0.307,0.52,1.0,0.3556815845384141,0.5796295661709273,0.9086508806798711,0.9247224316359399,0.6921711157562881
EOS-3-53696,OCc1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1,HWCKCSCXCMUSOU-UHFFFAOYSA-N,3,1,0.667,48,231,398.825,3.698,4,0.536,0.85,1.0,0.981898087862381,0.984348228359948,0.9337434034678912,0.9326297032417243,0.9581548557329861
EOS-3-53697,Cc1nc(-c2nnc3cncc(OCc4ccc(-c5cn(C)nn5)cn4)n23)n(C)n1,YOUBWNVYDFIVDM-UHFFFAOYSA-N,3,1,0.426,92,105,403.41,0.998,5,0.422,0.62,1.0,0.03388218764992119,0.03812281543417175,0.0076845315605510245,0.00304982523473374,0.020684839969844427
EOS-3-53698,Fc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCCc4csc(C(F)(F)F)n4)n23)c1,FCQFJRKWSJWVLF-UHFFFAOYSA-N,3,1,0.563,11,439,486.454,5.089,5,0.311,0.61,1.0,0.7932372695497224,0.8291583853060106,0.8990130902611199,0.8328421629771777,0.8385627270235076
EOS-3-53699,O=c1[nH]c(COc2cncc3nnc(-c4cc(F)c(-c5ncccn5)cn4)n23)co1,KRODEOCGWPJWCK-UHFFFAOYSA-N,3,1,0.368,46,242,406.337,1.643,5,0.462,0.49,1.0,0.4394061407717086,0.2744757042012199,0.20274484271126036,0.18552532382975806,0.27553800287848673
EOS-3-53700,Fc1ccc(CCc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c(Cl)c1,IMVHOWCKDQBEGA-UHFFFAOYSA-N,3,1,0.455,48,225,402.807,5.307,4,0.454,0.83,1.0,0.7472928517579329,0.9143307518333219,0.9887773284901652,0.9934463025152491,0.9109618086491673
EOS-3-53701,N#Cc1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)c(F)c5)n4)n23)cc1,OUFSNTAXZDKCQS-UHFFFAOYSA-N,3,1,0.436,22,681,400.352,3.189,5,0.461,0.75,0.997,0.10804605578781441,0.3686947433349325,0.8305205263518607,0.8681550270714824,0.5438540881365226
EOS-3-53702,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cc(Cl)n2)cs1,ZRIPJEZSUHLVBQ-UHFFFAOYSA-N,3,1,0.473,24,564,488.335,5.038,5,0.32,0.66,0.999,0.7903502158865053,0.7191162360359126,0.7172829141251457,0.7592094441779179,0.7464897025563704
EOS-3-53703,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cncs5)cc4F)n23)c(Cl)c1,DODPLIQALFKBMF-UHFFFAOYSA-N,3,1,0.326,3,192,488.939,5.17,6,0.34,0.64,1.0,0.19894969501747653,0.39685422520731956,0.722637242135563,0.7858525803577547,0.5260734356795285
EOS-3-53704,Fc1ncc(F)c(C2(F)CCC(c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)C2)n1,AVRQOQLAXABGHA-UHFFFAOYSA-N,3,1,0.369,68,455,447.371,4.325,5,0.342,0.45,0.361,0.39233945582893565,0.5556079089849908,0.7712459735453362,0.8328507299019944,0.6380110170653143
EOS-3-53705,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5nccn5C)n34)c2)n1C,ZXEDRVVZJVVISE-UHFFFAOYSA-N,3,1,0.407,92,168,401.434,2.208,5,0.445,0.71,1.0,0.26425536289493523,0.06037111918305805,0.09017545062024536,0.04814611746967309,0.11573701254197792
EOS-3-53706,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5(c6ccncn6)CC5)cn4)n23)cn1,RLFYZZDTZLNJLE-UHFFFAOYSA-N,3,1,0.321,52,974,493.531,2.685,6,0.365,0.61,1.0,0.19895826194229319,0.18568809540127476,0.14466965937906928,0.09661777808237955,0.1564834487012542
EOS-3-53707,Cc1cnc(-c2nnc3cncc(OCc4cnnc(-c5nnc(C)o5)c4)n23)cn1,QZBYDYGIMKBPNB-UHFFFAOYSA-N,3,1,0.427,53,828,402.378,1.617,5,0.423,0.66,0.995,0.34669488040572954,0.13797889109725173,0.02134020971831951,0.012182167089301624,0.12954903707765061
EOS-3-53708,Cc1ncc(-c2nnc3cncc(OCc4c(C)ncnc4OC(F)F)n23)nn1,LOOBAGVAJDJRHA-UHFFFAOYSA-N,3,1,0.385,68,105,401.337,1.564,4,0.47,0.65,1.0,0.6182321293948324,0.44723631005414294,0.12144472620108286,0.08697998766362826,0.31847328832842164
EOS-3-53709,Cc1ncc(-c2nnc3cncc(OCc4cnnc(-c5nnc(C)o5)c4)n23)cn1,CKKPWZXGCJBTFV-UHFFFAOYSA-N,3,1,0.46,92,226,402.378,1.617,5,0.423,0.67,0.962,0.3923480227537523,0.18992015626070866,0.02767973408265369,0.0147436776094853,0.15617289767664996
EOS-3-53710,Cc1ncc(-c2cccc(-c3nnc4cncc(COc5cccc(F)c5)n34)c2)o1,DEGQABJBGFJOQL-UHFFFAOYSA-N,3,1,0.424,14,18,401.401,4.473,5,0.432,0.85,1.0,0.5957782194503461,0.6320505791241177,0.7592951134260846,0.7119114522650949,0.6747588410664108
EOS-3-53711,CCc1nc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)ccc1-c1ncc(C)cn1,MOMWBQYIPOYJQE-UHFFFAOYSA-N,3,1,0.506,27,717,492.465,4.507,5,0.341,0.65,0.658,0.7762319237886368,0.5945445822767459,0.7020423548762936,0.4859416763758481,0.6396901343293812
EOS-3-53712,Fc1cnc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)cn4)n23)nc1,ZIHHQUXGXROMER-UHFFFAOYSA-N,3,1,0.482,51,435,401.365,2.151,5,0.436,0.67,1.0,0.48245493797546435,0.4293143033376739,0.2559540127475841,0.24892913439791653,0.3541630971146597
EOS-3-53713,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)nn2C)cn1,RODYBYMBCRHLHT-UHFFFAOYSA-N,3,1,0.413,92,569,402.422,1.337,5,0.418,0.67,1.0,0.12129052155438284,0.006844972928517579,0.038953807141388526,0.024955451990953326,0.04801118840381057
EOS-3-53714,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)cs5)n34)c2)cs1,VKXZPHSHMDDKHZ-UHFFFAOYSA-N,3,1,0.5,12,897,482.594,5.926,6,0.293,0.79,1.0,0.3987903502158865,0.4249109039819067,0.3589712836680145,0.3471917620450963,0.382466074977726
EOS-3-53715,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)cc2F)cn1C,SIOWIFDRHPQFTB-UHFFFAOYSA-N,3,1,0.462,52,229,497.534,3.779,6,0.375,0.8,1.0,0.129977383318484,0.09809128915084642,0.06341237749297512,0.12960900555136728,0.1052725138784182
EOS-3-53716,Cc1cc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)ccc1Cl,WSIMMTBZBOYGIT-UHFFFAOYSA-N,3,1,0.432,23,646,403.7,5.651,4,0.444,0.87,1.0,0.479987663628264,0.6661555068192722,0.9799019943800973,0.9934548694400658,0.7798750085669248
EOS-3-53717,Clc1cnc(-c2ccccn2)cc1COc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,LYIBUDAUXFVNCD-UHFFFAOYSA-N,3,1,0.436,28,297,493.918,4.333,6,0.334,0.71,1.0,0.8069443492563909,0.82532896991296,0.44733911315194297,0.44890686039339317,0.6321298231786717
EOS-3-53718,CCc1nc(-c2nnc3cncc(-c4nc(-c5ccccc5)nn4C)n23)ncc1F,LEYQMXFCMNJPHB-UHFFFAOYSA-N,3,1,0.312,50,844,401.409,2.745,5,0.456,0.71,0.865,0.15457302446713728,0.20840758001507778,0.018752998423685833,0.032614282777054346,0.1035869714207388
EOS-3-53719,OCc1cc(COc2cncc3nnc(-c4cncc(-c5ccon5)c4)n23)ccn1,ZNCDIBSWUJUPEI-UHFFFAOYSA-N,3,1,0.43,2,422,401.386,2.308,5,0.456,0.76,1.0,0.38340415324515115,0.1814217668425742,0.4140994448632719,0.31865533548077585,0.32439517510794325
EOS-3-53720,Cn1cncc1-c1ccc(-c2nnc3cncc(COc4cccc(F)c4)n23)cc1,BBAFFBUFMIVZAN-UHFFFAOYSA-N,3,1,0.462,14,18,400.417,3.91,5,0.447,0.82,1.0,0.6042509080940306,0.579638133095744,0.778159481872387,0.7436690425604825,0.6764293914056609
EOS-3-53721,Cn1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc(-c2cc(Cl)nc(Cl)c2)c1=O,NTIAFVUVKRWKCV-UHFFFAOYSA-N,3,1,0.483,35,76,494.342,3.875,5,0.331,0.73,1.0,0.45125419779316017,0.26414399287231854,0.5996933040915633,0.6490559248852033,0.4910368549105613
EOS-3-53722,Fc1c(CCCOCc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc(Cl)c1Cl,NZNKGHNUBGVGCH-UHFFFAOYSA-N,3,1,0.489,23,646,465.743,6.04,4,0.247,0.75,1.0,0.680676444383524,0.8732009457884997,0.9599924611061613,0.9833287643067644,0.8742996538962373
EOS-3-53723,COc1cnc(-c2cncc3nnc(-c4cnc(-c5ccc(F)nn5)nc4)n23)cn1,CWPAOLZPUKFNIL-UHFFFAOYSA-N,3,1,0.321,50,489,402.353,1.643,5,0.437,0.6,0.908,0.49231546843944896,0.48212939483243095,0.09957336714412994,0.08883044342402852,0.2907121684600096
EOS-3-53724,CCn1ncc2cc(-c3cncc4nnc(-c5ccc(-c6ccc(S(C)(=O)=O)cc6)nc5)n34)ccc21,RKGCANNHQPGXAK-UHFFFAOYSA-N,3,1,0.311,62,3,495.568,4.293,6,0.351,0.78,1.0,0.041001302172572134,0.127552943595367,0.42163833870193956,0.4172863408950723,0.2518697313412378
EOS-3-53725,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(CCc4nccs4)n23)ccn1,XBWVSNGLMAPDLA-UHFFFAOYSA-N,3,1,0.386,85,580,402.487,3.137,5,0.449,0.69,1.0,0.056713042286340894,0.0454818038516894,0.04663833870193955,0.04170379000753889,0.047634243711877175
EOS-3-53726,Fc1ccc(-c2nc(C(F)F)sc2-c2nnc3cncc(-c4cnn(-c5cnccn5)c4)n23)nc1,RAGGBZDPQNSBEH-UHFFFAOYSA-N,3,1,0.309,86,151,492.45,4.029,6,0.355,0.61,0.842,0.021288808169419506,0.12035672674936605,0.3331934068946611,0.3732694811870331,0.21202710575011996
EOS-3-53727,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cccnc5F)ns4)n23)cn1,JFLBFXRJKQCKHH-UHFFFAOYSA-N,3,1,0.378,85,290,403.446,3.743,5,0.425,0.69,0.999,0.21535535604139538,0.3395072304845453,0.3554417106435474,0.3732780481118498,0.3208955863203345
EOS-3-53728,Fc1ccc(Cl)c(F)c1COc1cncc2nnc(-c3cc(-c4ccc(Cl)nc4)ccn3)n12,RHWKESQZMWVFRA-UHFFFAOYSA-N,3,1,0.429,59,153,485.281,5.412,5,0.245,0.76,1.0,0.8172674936604757,0.8253375368377767,0.9634963333561785,0.9725772736618463,0.8946696593790693
EOS-3-53729,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nn(C)n5C)cnn4)n23)cn1,CIZRGEIOUGKALK-UHFFFAOYSA-N,3,1,0.46,92,185,402.422,1.603,5,0.436,0.69,1.0,0.2884055239531218,0.284867384003838,0.02548660132958673,0.013681378932218491,0.15311022205469127
EOS-3-53730,Fc1cccc(-c2cc(-c3nnc4cncc(COCc5cccc(-c6cncnn6)n5)n34)ccn2)n1,GIOSRBMSXYQMAB-UHFFFAOYSA-N,3,1,0.37,76,597,492.478,3.351,6,0.306,0.65,1.0,0.4185970803920225,0.2901874443149887,0.3516551298745802,0.3376739085737784,0.34952839078884246
EOS-3-53731,Clc1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)ccc1-c1cccnn1,AWWJCLCARNCUBN-UHFFFAOYSA-N,3,1,0.585,4,712,494.74,4.638,5,0.351,0.75,1.0,0.5929082996367624,0.7936056473168391,0.712245562332945,0.7490662051949832,0.7119564286203824
EOS-3-53732,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cn1,SLOVAKAWDXXUQS-UHFFFAOYSA-N,3,1,0.427,7,113,403.431,2.382,5,0.436,0.62,0.966,0.37174456856966626,0.22357960386539646,0.08261942293194435,0.057723939414707694,0.1839168836954287
EOS-3-53733,COc1cc(-c2ccc(F)cn2)ccc1-c1nnc2cncc(Oc3cccc(-c4cccnn4)n3)n12,XUENTQAGZUXIOL-UHFFFAOYSA-N,3,1,0.374,28,177,492.474,4.645,6,0.328,0.69,1.0,0.7351278185182647,0.6086371736001644,0.602691727777397,0.5016362826399835,0.6120232506339524
EOS-3-53734,CC1COCCN1C(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)nc1,NPFAGZYGBRJGRV-UHFFFAOYSA-N,3,1,0.314,52,821,495.518,3.915,6,0.373,0.69,1.0,0.05478548420259064,0.04895140840243986,0.20275340963607702,0.30957439517510793,0.15401617435405385
EOS-3-53735,Cn1nc(-c2cc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)ccn2)nc1C(F)F,XEKDORBMNXMHEZ-UHFFFAOYSA-N,3,1,0.512,75,359,488.911,4.256,5,0.338,0.54,0.98,0.538139949283805,0.5556164759098075,0.34014118292097867,0.36352032074566515,0.4493544822150641
EOS-3-53736,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(C(C)(C)O)nc5)c4)n23)cc1,KTALQOPFOGQTFB-UHFFFAOYSA-N,3,1,0.505,89,637,495.543,3.414,5,0.352,0.8,1.0,0.5282023164964704,0.19905249811527653,0.6058443561099308,0.28181755876910425,0.40372918237269556
EOS-3-53737,CC(CF)n1nnnc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)sn1,LMWYLFJQEPAXIV-UHFFFAOYSA-N,3,1,0.458,68,127,488.459,3.343,5,0.324,0.52,0.23,0.3717531354944829,0.4113751627715715,0.15681755876910425,0.1585823452813378,0.2746320505791241
EOS-3-53738,COCCC12CC1n(n1cccc1)cc2-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,DBZPWLSDIBUIRI-UHFFFAOYSA-N,3,1,0.363,63,334,481.56,3.273,7,0.416,0.45,0.938,0.25591974504831744,0.11120725104516482,0.13880131587965183,0.21440442738674526,0.18008318483996985
EOS-3-53739,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cnccc5F)n34)ccn2)c1,AKJCOJFFICNDGG-UHFFFAOYSA-N,3,1,0.477,75,99,402.393,2.7,5,0.446,0.63,1.0,0.7013741347405935,0.5279624426016037,0.5029470221369338,0.43630491398807486,0.5421471283668015
EOS-3-53740,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(C(F)F)cc5)c4)n23)ccc1Cl,LDATYZSYCDENMC-UHFFFAOYSA-N,3,1,0.707,57,951,481.865,6.162,5,0.29,0.77,1.0,0.9869011719553149,0.9764666575286135,0.9902851072578988,0.9903964772805154,0.9860123535055856
EOS-3-53741,Cn1nnnc1-c1cnc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)nc1,OOMJWSBXSAYMOF-UHFFFAOYSA-N,3,1,0.38,74,918,399.378,0.538,5,0.455,0.79,1.0,0.11346035227194846,0.04179802618052224,0.01704818038516894,0.009954766636967994,0.04556533136865191
EOS-3-53742,Cc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6C)cc5)n34)cn2)n1,GGLMSTLXVVJRKM-UHFFFAOYSA-N,3,1,0.427,12,285,470.536,6.324,6,0.293,0.71,0.999,0.5643804399972586,0.3874734425330683,0.7593036803509012,0.6838719073401411,0.5987573675553424
EOS-3-53743,Fc1ccccc1-c1nnc2cncc(-c3ccc(-c4c(F)cccc4F)cn3)n12,RQGQAKQNFPHPHX-UHFFFAOYSA-N,3,1,0.492,45,405,403.367,4.938,5,0.428,0.76,1.0,0.36487389486669863,0.6465972174628195,0.9614488383249948,0.9750788157083133,0.7369996915907066
EOS-3-53744,COc1cc(-c2cnn(C)n2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3OC)n12,HPPVMTQSGKRCSB-UHFFFAOYSA-N,3,1,0.309,52,269,496.531,3.163,6,0.365,0.73,0.997,0.20450106229867726,0.01818758138578576,0.17934857103694057,0.10705229250908094,0.12727237680762113
EOS-3-53745,c1ccc(-c2ncccc2-c2nnc3cncc(OCc4ccccc4-c4ccsc4)n23)cc1,JCKFZYMGOFSVEI-UHFFFAOYSA-N,3,1,0.471,12,797,461.55,6.161,6,0.297,0.67,0.973,0.4673942841477623,0.3733722842848331,0.7172914810499623,0.7361472825714481,0.5735513330135014
EOS-3-53746,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5cn[nH]c5)cs4)n23)cc1,XYUOOMHPWVAEJQ-UHFFFAOYSA-N,3,1,0.367,14,357,401.455,2.933,5,0.47,0.71,1.0,0.09114351312452881,0.10446508121444727,0.3629806044822151,0.28761736686998834,0.21155164142279487
EOS-3-53747,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(Cl)c4)n23)nc1,ZYILWICVTNSTOH-UHFFFAOYSA-N,3,1,0.425,90,244,399.773,2.052,4,0.509,0.7,1.0,0.5868429168665615,0.4159584675484888,0.4649612774998287,0.42694126516345693,0.473675981769584
EOS-3-53748,COc1nc(-c2ncccc2C)ccc1-c1nnc2cncc(OCCc3ncc(F)cc3Cl)n12,LFNRAGUYUNPCPO-UHFFFAOYSA-N,3,1,0.45,49,710,491.914,4.374,5,0.331,0.63,0.9,0.7762404907134535,0.7191248029607292,0.3927849359194024,0.36676718525118224,0.5637293537111918
EOS-3-53749,N#Cc1cc(Cl)cc(-c2cnc(COc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)nc2)c1,OFBIDDZYAARTKU-UHFFFAOYSA-N,3,1,0.554,59,756,492.301,5.145,5,0.335,0.74,1.0,0.9589901309026112,0.9695959838256459,0.9459255705571928,0.9604550750462614,0.9587416900829279
EOS-3-53750,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccsc6)n5)n34)cc2F)c1,WGAIHWSNDYESFF-UHFFFAOYSA-N,3,1,0.408,93,479,467.504,6.527,6,0.296,0.75,1.0,0.30687581385785756,0.45597457336714414,0.9314303337673908,0.9489582619422932,0.6608097457336715
EOS-3-53751,Clc1ccc(Cc2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cc1,LKFNRGFNZGNRMZ-UHFFFAOYSA-N,3,1,0.464,14,81,399.845,3.888,5,0.456,0.81,1.0,0.28557843876362143,0.3252175998903434,0.5606109930779247,0.657314440408471,0.4571803680350901
EOS-3-53752,Cc1ccc(-c2nnc3cncc(OCCc4c(F)c(F)cc(F)c4F)n23)cn1,PMHFUROGZNGPHR-UHFFFAOYSA-N,3,1,0.675,90,281,403.339,3.673,4,0.376,0.73,1.0,0.9560602426153109,0.9652011513946953,0.9493437735590432,0.9310962236995408,0.9504253478171476
EOS-3-53753,CCc1nc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1nc(C)c(C)n1CC,ATEKFUWTYUPLHS-UHFFFAOYSA-N,3,1,0.362,31,690,486.555,4.67,5,0.33,0.55,0.739,0.43941470769652524,0.3493506270988966,0.08767390857377835,0.05477691727777397,0.23280404016174353
EOS-3-53754,Cc1cc(C#N)nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,JCFNWDIHUOFQQO-UHFFFAOYSA-N,3,1,0.282,63,108,397.402,1.716,5,0.55,0.86,0.991,0.07723939414707696,0.06037968610787472,0.022496744568569666,0.03373654992803783,0.0484630936878898
EOS-3-53755,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Oc6ccncc6)cn5)n34)c2)nc1,JELBMXYKNJZNGV-UHFFFAOYSA-N,3,1,0.433,28,414,492.474,4.549,6,0.317,0.66,1.0,0.5381485162086218,0.5008481255568501,0.6417055033925022,0.5741895689123432,0.5637229285175793
EOS-3-53756,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5cncnc5)n4)n23)cc1,JYDXUMFQQMLRJC-UHFFFAOYSA-N,3,1,0.549,7,817,400.377,2.756,5,0.444,0.73,1.0,0.7379634706325817,0.8097371667466247,0.48923994243026525,0.4889058323624152,0.6314616030429717
EOS-3-53757,COc1ncc(C)cc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4)n23)cn1,JZJFJIGHRJBXPK-UHFFFAOYSA-N,3,1,0.302,42,171,490.502,4.828,6,0.339,0.6,1.0,0.5148464807072853,0.5650572270577754,0.7070711397436776,0.6141714070317319,0.6002865636351176
EOS-3-53758,NC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5ccccc5)ns4)n23)cc1,SOPXDAVHVFOEIK-UHFFFAOYSA-N,3,1,0.393,62,837,399.439,3.076,5,0.497,0.8,1.0,0.09115208004934548,0.07531183606332671,0.13549448290041807,0.13845007196216846,0.11010211774381469
EOS-3-53759,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)ccn2)c1,ROEPPHQUQOTKLO-UHFFFAOYSA-N,3,1,0.566,75,486,402.393,2.7,5,0.446,0.64,1.0,0.46258823932561166,0.4867726680830649,0.42881742169830717,0.3764135425947502,0.4386479679254335
EOS-3-53760,Cc1nc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)ccc1-c1nnco1,MJFDSCNTLUJEJI-UHFFFAOYSA-N,3,1,0.432,31,466,403.406,1.9,5,0.418,0.63,0.997,0.2642639298197519,0.10135528750599684,0.044787882941539306,0.0287420327599205,0.10978728325680213
EOS-3-53761,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)cc4F)n23)c(-c2ccc(Cl)cc2)n1,YJCAGBWVGIWFDG-UHFFFAOYSA-N,3,1,0.364,3,923,487.857,5.502,6,0.303,0.7,1.0,0.40742581043108766,0.5898584744020287,0.8837211294633678,0.9184600095949558,0.69986635597286
EOS-3-53762,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)cn1,ZCDOATIZIUTJLS-UHFFFAOYSA-N,3,1,0.49,65,981,403.381,2.127,5,0.428,0.6,1.0,0.720135700089096,0.7191333698855459,0.2703293125899527,0.24605064765951615,0.4889122575560277
EOS-3-53763,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5nnnn5C)cc4)n23)nc1,JYPXUHHAIVLSTI-UHFFFAOYSA-N,3,1,0.512,36,447,400.406,1.659,5,0.433,0.75,1.0,0.4074343773559043,0.21327359331094511,0.037446028373654995,0.027816804879720377,0.1714927009800562
EOS-3-53764,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5nnc(F)n5C)nc4)n23)cc1,BCFBEDXZWCLNSG-UHFFFAOYSA-N,3,1,0.372,85,740,400.421,3.02,5,0.461,0.74,0.999,0.31234151189089165,0.305239531217874,0.227460420807347,0.24334349941744912,0.2720962408333904
EOS-3-53765,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6ccccc6)n5)n34)cc(F)n2)cn1,TVRFOWNHWWWBAC-UHFFFAOYSA-N,3,1,0.463,28,363,490.502,4.732,6,0.309,0.65,1.0,0.5613563155369748,0.6182920978685491,0.557406963196491,0.5016448495648003,0.5596750565417037
EOS-3-53766,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)cn1,YGMYIBZSGPDMSC-UHFFFAOYSA-N,3,1,0.5,97,91,404.43,4.028,5,0.412,0.63,1.0,0.6267048180385169,0.5849324926324446,0.6446182578301692,0.6462031389212528,0.6256146768555959
EOS-3-53767,Fc1cc(-c2cccnc2F)cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)c1,OIHZZBJFAQTNSX-UHFFFAOYSA-N,3,1,0.458,13,724,471.801,5.855,5,0.243,0.68,1.0,0.9072459050099376,0.9351912137619081,0.9891200054828319,0.9925296415598657,0.9560216914536357
EOS-3-53768,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2Cl)nc1,GSVJJRHJDCVLCK-UHFFFAOYSA-N,3,1,0.552,35,619,494.342,4.58,5,0.324,0.73,1.0,0.932792474813241,0.9143393187581386,0.6696165444452059,0.6748937701322734,0.7979105270372148
EOS-3-53769,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)nc4)n23)nc1,NYNONYYQISPMHG-UHFFFAOYSA-N,3,1,0.323,68,457,397.345,2.209,4,0.55,0.88,1.0,0.5282108834212871,0.4204732369268727,0.567567336029059,0.41413371256253856,0.48259629223493933
EOS-3-53770,Clc1ccc(Oc2cncc3nnc(-c4ccccc4-c4cnccn4)n23)cc1,VNHXBUMNIXHQNH-UHFFFAOYSA-N,3,1,0.587,13,15,400.829,4.694,5,0.435,0.88,1.0,0.7441916249742992,0.759672058118018,0.7480895757658831,0.8059934206017408,0.7644866698649854
EOS-3-53771,COc1cc(-c2nncc(C)n2)cnc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nn4)nc3)n12,GFOVRFLJUXWRFR-UHFFFAOYSA-N,3,1,0.326,70,719,493.466,3.013,6,0.35,0.57,0.217,0.4416335412240422,0.4514683709135769,0.17299191282297308,0.14801076005756975,0.3035261462545405
EOS-3-53772,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)cn1,IYZIUMWZYPOQCH-UHFFFAOYSA-N,3,1,0.53,36,402,399.418,2.264,5,0.443,0.86,1.0,0.36040196011239806,0.26941265163456923,0.14173120416695223,0.12101637996024947,0.22314054896854224
EOS-3-53773,CCn1nc(C2(c3nccc(Cl)n3)CC2)nc1-c1cncc2nnc(-c3ccc(Cl)nc3)n12,VWPSYNAYKJWRTH-UHFFFAOYSA-N,3,1,0.308,50,974,479.335,3.641,6,0.277,0.5,0.707,0.12695325885820027,0.2796672606401206,0.002158865053800288,0.032622849701871015,0.11035055856349806
EOS-3-53774,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cnc(F)cn4)n23)ncn1,DGJDASXWCLPNMP-UHFFFAOYSA-N,3,1,0.372,7,296,404.369,1.49,5,0.429,0.52,0.792,0.3879617572476184,0.26942121855938594,0.09232574874922898,0.07837879514769379,0.20702187992598176
EOS-3-53775,Cc1ncn(-c2ccc(NCc3cncc4nnc(-c5cc(Cl)cc(-c6ccccn6)c5)n34)nn2)n1,SGFZUFPCEWUQGX-UHFFFAOYSA-N,3,1,0.324,60,84,495.938,3.798,6,0.367,0.7,0.983,0.03274278664930436,0.03813138235898842,0.18579089849907476,0.2144129943115619,0.11776951545473237
EOS-3-53776,Clc1ccc(COc2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cc2)cc1Cl,QCTNHLAQOGUMNR-UHFFFAOYSA-N,3,1,0.631,91,96,493.354,5.089,5,0.298,0.82,1.0,0.9417620450962922,0.9366390240559249,0.7889623740662052,0.8039030909464738,0.8678166335412241
EOS-3-53777,COc1cc(-c2cnn(C)c2)ncc1-c1cncc2nnc(-c3ccc(-c4cc(C)ncn4)c(F)c3)n12,NIZNTNKVDRACTE-UHFFFAOYSA-N,3,1,0.302,42,693,493.506,4.167,6,0.352,0.63,1.0,0.2721883352751696,0.3207370982112261,0.6237406620519498,0.4797734905078473,0.4241098965115482
EOS-3-53778,COc1cnc(-c2cncc3nnc(-c4ccc(-c5cccnn5)c(F)c4)n23)cn1,ISHDRZSRMAJQIW-UHFFFAOYSA-N,3,1,0.337,50,844,400.377,2.853,5,0.454,0.74,1.0,0.5643890069220753,0.5849410595572613,0.47198615584949627,0.4269498320882736,0.5120665136042766
EOS-3-53779,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CCOCC5)cc4F)n23)cn1,ZNANEFANMVLYDM-UHFFFAOYSA-N,3,1,0.378,63,364,497.481,3.332,5,0.435,0.7,1.0,0.1734887944623398,0.2035844013432938,0.2891251456377219,0.2759749160441368,0.23554331437187306
EOS-3-53780,Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncno5)c(C)n4)n23)n(C)n1,APYUTOOVEIQCKS-UHFFFAOYSA-N,3,1,0.385,31,662,403.406,2.166,5,0.434,0.61,0.976,0.22922520731958057,0.15311664724830376,0.03745459529847166,0.01641422794873552,0.10905266945377289
EOS-3-53781,Cc1cc(COc2cncc3nnc(-c4cncc(-c5cnc(C)o5)c4)n23)n(C)n1,AXDOGFXFJLRKLP-UHFFFAOYSA-N,3,1,0.43,92,36,402.418,2.771,5,0.441,0.67,1.0,0.23478514152559798,0.1379874580220684,0.1417397710917689,0.07056575971489275,0.14626953258858202
EOS-3-53782,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnco5)nc4)n23)cn1,ZNMZEJIHUSIHFB-UHFFFAOYSA-N,3,1,0.333,82,514,399.374,1.658,5,0.478,0.74,0.999,0.210026728805428,0.07532040298814338,0.07394112809265986,0.04171235693235556,0.1002501542046467
EOS-3-53783,Cn1nc(-c2cc(C#N)ccn2)cc1Oc1cncc2nnc(-c3cscn3)n12,GVTVGVLQHCMLJF-UHFFFAOYSA-N,3,1,0.378,33,760,401.415,2.707,5,0.451,0.71,1.0,0.25592831197313415,0.13080837502570078,0.18905489685422522,0.17724967445685696,0.18826031457747927
EOS-3-53784,CCn1ncnc1-c1csc(COc2cncc3nnc(-c4ccc(-c5nccn5C)s4)n23)c1,JLCIJGIJHINCLT-UHFFFAOYSA-N,3,1,0.36,7,816,489.59,4.172,6,0.332,0.57,0.972,0.12419470906723322,0.12406620519498321,0.03746316222328833,0.02963299294085395,0.07883926735658968
EOS-3-53785,COc1ccc(-c2cnnc(-c3cncc4nnc(-c5ccccc5F)n34)n2)cn1,HSHAHEYZMUIFAS-UHFFFAOYSA-N,3,1,0.416,22,844,400.377,2.853,5,0.454,0.72,1.0,0.42093585086697277,0.565065793982592,0.3516636967993969,0.35678671783976423,0.4236130148721815
EOS-3-53786,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2)nn1,HZTNBVBYXGUSRH-UHFFFAOYSA-N,3,1,0.59,72,22,401.455,3.592,5,0.444,0.75,1.0,0.4725173051881297,0.44724487697895965,0.3037060516756905,0.25203892810636697,0.3688767904872867
EOS-3-53787,Cn1cc(Cc2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)cn1,MNODRTDMPPTERI-UHFFFAOYSA-N,3,1,0.385,14,358,400.873,4.436,5,0.447,0.86,1.0,0.2236567061887465,0.33951579740936194,0.7666112672195189,0.8246436159276266,0.5386068466863135
EOS-3-53788,FC(F)c1ccc(-c2cnncc2-c2cncc3nnc(-c4ccncc4)n23)cn1,JPHXMTLPELZSTQ-UHFFFAOYSA-N,3,1,0.375,82,478,402.368,3.643,5,0.453,0.64,0.996,0.22079535329997943,0.3002964155986567,0.8248577890480433,0.7764375299842369,0.5305967719827291
EOS-3-53789,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccc(C(F)F)cn5)ccn4)n23)c(F)c1F,UUOVSFCCMVCQAD-UHFFFAOYSA-N,3,1,0.419,59,692,484.388,5.182,5,0.244,0.7,1.0,0.7531269275580837,0.7191419368103625,0.9871753135494483,0.9803646083201973,0.8599521965595229
EOS-3-53790,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc5c(n4)CCC5)n23)cc1,VHBDRFFWDSEJRA-UHFFFAOYSA-N,3,1,0.333,63,437,397.442,2.629,6,0.568,0.86,1.0,0.14048043314371872,0.07532896991296005,0.003855116167500514,0.018735864574052498,0.059600095949557945
EOS-3-53791,CCn1ncnc1-c1cncc(COc2cncc3nnc(-c4ccc(Br)c(F)c4)n23)c1,BZHFJTNSQRMXHW-UHFFFAOYSA-N,3,1,0.529,16,391,495.316,3.945,5,0.352,0.69,1.0,0.533111164416421,0.5606795284764581,0.43640771708587484,0.4457884997601261,0.49399672743472
EOS-3-53792,Cc1csc(-c2ccnc(COc3cncc4nnc(-c5ccccc5)n34)n2)n1,UQPYAQMGMDQTFB-UHFFFAOYSA-N,3,1,0.506,24,700,401.455,3.592,5,0.444,0.8,1.0,0.477640326228497,0.4602923034747447,0.08768247549859502,0.08519806730176135,0.27770329312589953
EOS-3-53793,Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5nc(Cl)sc5Cl)n34)c2)ccn1,HSEOBHDDFKANAF-UHFFFAOYSA-N,3,1,0.424,18,367,484.372,4.942,5,0.337,0.53,1.0,0.49232403536426567,0.5142981975190186,0.3438934959906792,0.4392605030498252,0.4474440579809472
EOS-3-53794,Cc1cccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cn4)n23)c1F,ATIKLNPKMDRQHY-UHFFFAOYSA-N,3,1,0.38,16,412,401.405,3.827,5,0.455,0.75,1.0,0.6127921321362484,0.5696662326091426,0.5606195600027414,0.4677969296141457,0.5527187135905695
EOS-3-53795,COc1cc(-c2nnc3cncc(OCC4Oc5nnc(C)nc5O4)n23)ccc1-c1ccnc(F)c1,BNQGTRJXCQUAHL-UHFFFAOYSA-N,3,1,0.396,15,771,488.439,2.671,6,0.327,0.45,1.0,0.890651771640052,0.8060876567747242,0.3891868274964019,0.26414399287231854,0.5875175621958741
EOS-3-53796,Cc1nc(-c2cnnc(-c3cncc4nnc(-c5ccc(F)c(C)c5)n34)c2)n(C)n1,VLPNFUMSGISUDH-UHFFFAOYSA-N,3,1,0.321,50,844,401.409,2.8,5,0.458,0.67,0.997,0.14593756425193613,0.22869405798094716,0.19930950585977658,0.22544719347543005,0.19984708039202248
EOS-3-53797,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccccc4OCCCCc4cccc(C)n4)n23)cc1,WPLKKJFIAMAVNG-UHFFFAOYSA-N,3,1,0.321,62,302,492.583,4.923,5,0.294,0.84,1.0,0.22653519292714688,0.0717479953395929,0.28545850181618804,0.19385237475155917,0.19439851620862172
EOS-3-53798,Clc1ccc(-c2nnc3cncc(OCc4ncc(-c5nnc(Cl)cc5Cl)s4)n23)cc1,WKNXCLVWLRZHMQ-UHFFFAOYSA-N,3,1,0.536,34,32,490.763,5.244,5,0.332,0.76,1.0,0.7013827016654102,0.8991587279830032,0.5441025289562059,0.7540093208142006,0.724663319854705
EOS-3-53799,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccnc5-c5cccc(Cl)c5)n34)cn2)c1,YMASVDOENSLQGL-UHFFFAOYSA-N,3,1,0.4,69,695,478.918,6.375,6,0.294,0.77,1.0,0.2589010348845179,0.5008566924816668,0.9067832910698376,0.9428843122472758,0.6523563326708245
EOS-3-53800,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ncc(F)s5)cc4F)n23)cc1,WZDMFQUFDMGTOM-UHFFFAOYSA-N,3,1,0.325,64,885,487.47,5.456,6,0.329,0.62,1.0,0.2855870056884381,0.42491947090672333,0.7889709409910218,0.8481683914741964,0.5869114522650949
EOS-3-53801,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5ncnn5C)n34)c2)cn1,YBWWVMTYYRIQIN-UHFFFAOYSA-N,3,1,0.362,7,828,400.406,1.659,5,0.433,0.74,1.0,0.17913439791652389,0.10136385443081351,0.03486738400383798,0.020115139469536015,0.08387019395517785
EOS-3-53802,Clc1ccc(Cc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cn1,OLCJJDIZEAFISX-UHFFFAOYSA-N,3,1,0.355,14,81,399.845,3.888,5,0.426,0.84,1.0,0.2642724967445686,0.32074566513604275,0.6417140703173189,0.6867846617778083,0.4783792234939347
EOS-3-53803,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)c(F)c5)n34)nc2)ccc1F,BUNANBSZASNEEH-UHFFFAOYSA-N,3,1,0.454,84,384,489.873,4.673,5,0.319,0.61,1.0,0.9438780755260092,0.9395089438695086,0.9337519703927079,0.9344030566787745,0.93788551161675
EOS-3-53804,N=c1[nH]c(-c2ccc(-c3nnc4cncc(Cc5ccc(F)cc5)n34)cn2)cs1,PZHHESIXJVMAKU-UHFFFAOYSA-N,3,1,0.383,14,358,403.446,3.452,5,0.48,0.59,0.218,0.1961654444520595,0.31560551024604205,0.5742581043108765,0.577265094921527,0.41582353848262626
EOS-3-53805,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1-c1cc(F)cnc1OC,SUDRQHDJXKBYJR-UHFFFAOYSA-N,3,1,0.41,46,717,491.914,4.586,5,0.305,0.7,0.851,0.6293434308820506,0.6038225618531972,0.5407442944280721,0.45841614693989446,0.5580816085258037
EOS-3-53806,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)c(F)c4)n23)cc1,KHDCDYNVZJDPDN-UHFFFAOYSA-N,3,1,0.471,66,646,397.36,3.558,4,0.558,0.87,1.0,0.41860564731683914,0.48678123500788156,0.9474504831745597,0.9084966760331711,0.6903335103831129
EOS-3-53807,NC(=O)c1ccc(-c2nnc3cncc(OCc4cn(-c5cnco5)cn4)n23)cn1,IOTOSVHDMGKSRO-UHFFFAOYSA-N,3,1,0.452,7,85,403.362,1.038,5,0.438,0.61,1.0,0.18492563909259133,0.13081694195051743,0.06964053183469261,0.03156055102460421,0.10423591597560139
EOS-3-53808,Fc1ccccc1-c1nnc2cncc(OCc3nccc(-c4cccnn4)n3)n12,WDHOSNGFBKYYNH-UHFFFAOYSA-N,3,1,0.494,4,820,400.377,2.756,5,0.444,0.77,1.0,0.6528939072030704,0.710026728805428,0.2963299294085395,0.3344613117675279,0.49842796929614147
EOS-3-53809,O=C(O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc1,RESNLSHYVVKAQL-UHFFFAOYSA-N,3,1,0.553,68,127,398.329,2.796,4,0.527,0.81,1.0,0.5074874922897676,0.1771897059831403,0.6474967445685696,0.42360016448495647,0.43894352683160853
EOS-3-53810,CCn1cncc1-c1cccc(-c2nnc3cncc(OCc4ncnn4C)n23)c1,OVGNHQIMHLOZMB-UHFFFAOYSA-N,3,1,0.404,36,448,401.434,2.382,5,0.43,0.69,1.0,0.22654375985196354,0.14923583030635323,0.07592008772531013,0.05478548420259064,0.12662129052155438
EOS-3-53811,Fc1cc(-c2ccc(F)c(F)c2)cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)c1,USJBGYFKZOHSAY-UHFFFAOYSA-N,3,1,0.593,88,13,485.828,5.642,5,0.301,0.68,1.0,0.8889041189774518,0.9395175107943252,0.9898567610170653,0.9941402234253992,0.9531046535535604
EOS-3-53812,Cc1ccc(-c2cccc(-c3nnc4cncc(OCc5cncs5)n34)c2)nn1,NCDRTSRPLAIRGL-UHFFFAOYSA-N,3,1,0.542,72,506,401.455,3.592,5,0.444,0.75,1.0,0.39235658967856896,0.36370879309163184,0.28546706874100475,0.24335206634226578,0.32122112946336784
EOS-3-53813,CCn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)cc1Cl,FRIFWWRQZOYNES-UHFFFAOYSA-N,3,1,0.612,13,252,486.75,5.822,5,0.311,0.72,1.0,0.7107120827907615,0.801966965937907,0.8139606606812418,0.8936930299499691,0.8050831848399699
EOS-3-53814,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cncn5C)cn4)n23)cn1,IPNOMLSSWFNFPI-UHFFFAOYSA-N,3,1,0.315,50,974,400.406,1.132,5,0.48,0.71,0.998,0.027893907203070386,0.019763895552052636,0.05749263244465767,0.024030224110753205,0.03229516482763347
EOS-3-53815,CCc1ncc(CCOc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nc4C)n23)nc1Cl,IOFRJJCBGPWBLF-UHFFFAOYSA-N,3,1,0.417,20,279,490.93,4.323,5,0.332,0.57,0.995,0.7107206497155781,0.817541635254609,0.2347508738263313,0.2789562058803372,0.5104923411692139
EOS-3-53816,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccc(C#CC(C)(C)O)s5)n34)c2)s1,WKCXIRPRRYQPLX-UHFFFAOYSA-N,3,1,0.484,4,655,487.61,4.986,5,0.352,0.62,1.0,0.44391234322527584,0.4472534439037763,0.7146871359056953,0.4708810225481461,0.5191834863957234
EOS-3-53817,c1csc(CCOc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)c1,YLKMASOFBLRNHA-UHFFFAOYSA-N,3,1,0.529,18,367,401.455,3.326,5,0.431,0.72,1.0,0.5459101500925228,0.3733808512096498,0.27815091494757044,0.2759834829689535,0.36835634980467413
EOS-3-53818,c1ccc(-c2csc(-n3nnc(-c4cncc5nnc(-c6ccc(-c7ncon7)cc6)n45)n3)n2)cc1,SDLMZGFGEOPSDW-UHFFFAOYSA-N,3,1,0.338,93,465,491.5,3.608,7,0.351,0.55,1.0,0.11620176821328217,0.10447364813926394,0.040367349736138716,0.07651977246247688,0.08439063463779042
EOS-3-53819,CCc1nc(-c2nnc3cncc(OCc4sc(Cl)cc4F)n23)ccc1-c1cccc(C)n1,YVNMRDURHCCDLK-UHFFFAOYSA-N,3,1,0.396,44,690,480.956,5.552,5,0.317,0.59,0.887,0.5727588924679597,0.6563806456034542,0.4719947227743129,0.4708895894729628,0.5430059625796724
EOS-3-53820,Fc1ccc(-c2ncsc2COc2cncc3nnc(-c4ccc(-c5cscn5)cn4)n23)cn1,FSWRWNUYKIBXEO-UHFFFAOYSA-N,3,1,0.409,6,414,488.533,4.546,6,0.315,0.6,1.0,0.6590278253718045,0.6226183949009664,0.33320197381947775,0.33446987869234457,0.48732951819614834
EOS-3-53821,Clc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4Cl)n23)nc1,XQEBTWKJJDFRES-UHFFFAOYSA-N,3,1,0.28,39,449,487.31,5.272,6,0.331,0.61,0.925,0.24551949832088274,0.29536186690425603,0.5238674525392365,0.7061801795627441,0.4427322493317798
EOS-3-53822,COc1ccc(-c2nncn2C)nc1COc1cncc2nnc(-c3ccc(-c4nccn4C)cc3)n12,ZTIRESSZLLQHQS-UHFFFAOYSA-N,3,1,0.453,56,415,494.519,2.97,6,0.329,0.66,1.0,0.3442533068329792,0.18143033376739084,0.12668768418888357,0.06886950860119252,0.18031020834761155
EOS-3-53823,Cn1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)nn5)n34)c2)n1,VCCONTKGSBGOAR-UHFFFAOYSA-N,3,1,0.489,72,208,402.393,2.7,5,0.446,0.6,1.0,0.4186142142416558,0.46030087039956136,0.38174216983071757,0.3344784456171613,0.398783925022274
EOS-3-53824,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cscn5)n34)ccn2)cn1,IDKWNUMLRKUYDG-UHFFFAOYSA-N,3,1,0.603,7,441,402.443,2.987,5,0.442,0.67,1.0,0.3348039887601946,0.34935919402371324,0.18579946542389145,0.12961757247618394,0.2498950551709958
EOS-3-53825,Cc1nc(-c2cccnc2C)nc(-c2cncc3nnc(-c4nccnc4-c4ccc(Cl)cn4)n23)n1,QMHZGFRZZJXTCO-UHFFFAOYSA-N,3,1,0.292,86,114,493.922,3.828,6,0.356,0.59,0.277,0.23479370845041464,0.2590124049071345,0.057501199369474336,0.0927455280652457,0.1610132101980673
EOS-3-53826,Fc1cc(-c2ncc(Cl)cc2Cl)cnc1Oc1cncc2nnc(-c3ccc(Cl)nc3)n12,YORLNYGSGIRYSH-UHFFFAOYSA-N,3,1,0.348,13,995,488.697,5.535,5,0.307,0.73,1.0,0.7903587828113221,0.9103556987183881,0.8850147351106846,0.929982523473374,0.8789279350284421
EOS-3-53827,Fc1ccccc1-c1cccnc1COc1cncc2nnc(-c3ccc(C(F)(F)F)c(F)c3)n12,PBPISPSVKDCUKO-UHFFFAOYSA-N,3,1,0.558,57,679,483.4,5.729,5,0.299,0.66,1.0,0.9338033719416079,0.9593242409704612,0.9949883489822493,0.9917757521759989,0.9699729285175793
EOS-3-53828,CCn1nc(-c2cc(COc3cncc4nnc(-c5ccncc5)n34)cnn2)n1C,AAJHOINPJVEISN-UHFFFAOYSA-N,3,1,0.477,92,571,402.422,1.777,5,0.422,0.7,0.773,0.2616253169762182,0.17285484202590637,0.010348845178534714,0.0082499485984511,0.11326973819477759
EOS-3-53829,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6cnn(C)c6)n5)n34)cn2)nn1,MZPOADLHWQWWFX-UHFFFAOYSA-N,3,1,0.43,6,843,495.482,2.86,6,0.339,0.7,1.0,0.4163268453156055,0.4647556713042286,0.20996676033171133,0.16642108148858886,0.3143675896100336
EOS-3-53830,CCn1cnnc1COc1cncc2nnc(-c3cccc(-c4nccn4C)c3)n12,WKEZWDBIGQMJDR-UHFFFAOYSA-N,3,1,0.418,36,931,401.434,2.382,5,0.43,0.7,1.0,0.14907305873483653,0.08572064971557809,0.04664690562675622,0.0367264066890549,0.07954175519155644
EOS-3-53831,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3nccnc3-c3cnc(Cl)c(F)c3)n12,GGUWHLSDUVABJR-UHFFFAOYSA-N,3,1,0.495,73,877,486.269,4.807,5,0.33,0.51,0.966,0.8692687272976493,0.9436639024055925,0.8667072167774655,0.9120005482831882,0.8979100986909738
EOS-3-53832,Clc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)cn2)n1,AVBFEBBQVXOUIC-UHFFFAOYSA-N,3,1,0.362,93,68,484.35,6.013,6,0.287,0.76,1.0,0.02540949900623672,0.27448427112603657,0.8667157837022822,0.9237972037557398,0.5226016893975738
EOS-3-53833,Cc1cc(-c2nnc3cncc(OCc4cnn(-c5ccc(F)c(Cl)c5F)c4)n23)ccc1Cl,JGCPFJKSFUBIIW-UHFFFAOYSA-N,3,1,0.523,59,607,487.297,5.449,5,0.309,0.74,1.0,0.5331197313412378,0.7282914125145638,0.9653639229662121,0.9710009594955795,0.7994440065793983
EOS-3-53834,FC(F)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)c(Cl)c4Cl)n23)cn1,KYQRIPFZTCPCAQ-UHFFFAOYSA-N,3,1,0.36,96,243,486.269,5.68,5,0.316,0.68,0.999,0.5406329244054554,0.6807107120827908,0.9413079980810088,0.9311047906243575,0.7734391062984032
EOS-3-53835,COc1ncncc1-c1cncc2nnc(-c3cccnc3-c3ncc(F)cn3)n12,XWMZWCHYEDQPGW-UHFFFAOYSA-N,3,1,0.297,50,489,401.365,2.248,5,0.447,0.67,1.0,0.4512627647179768,0.4647642382290453,0.13880988280446852,0.1340980741553012,0.297233739976698
EOS-3-53836,Cn1cncc1-c1nnc2cncc(OCc3cc(-c4ccnc(F)c4)ncn3)n12,HCIMILPIMIFGDW-UHFFFAOYSA-N,3,1,0.404,7,354,403.381,2.095,5,0.411,0.61,1.0,0.3044856418340073,0.21328216023576177,0.2963384963333562,0.2520474950311836,0.2665384483585772
EOS-3-53837,Cc1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(F)c5)cc4F)n23)nc1,DINNOAFYDRXNKR-UHFFFAOYSA-N,3,1,0.316,96,155,401.38,3.897,5,0.427,0.74,1.0,0.27219690219998627,0.37338941813446647,0.7666198341443355,0.7694297854842026,0.5454089849907477
EOS-3-53838,OCc1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1,QWAFUVBFLGTERW-UHFFFAOYSA-N,3,1,0.612,90,281,399.813,3.093,4,0.501,0.79,1.0,0.9645843328078952,0.9366475909807416,0.8503015557535467,0.8307861010211774,0.8955798951408402
EOS-3-53839,Cc1noc(-c2cccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)n1,IVIPAQXMAANWSQ-UHFFFAOYSA-N,3,1,0.38,74,423,398.386,2.311,5,0.487,0.85,1.0,0.1907597148927421,0.09182886710986224,0.09454458227674593,0.06076519772462477,0.10947459050099376
EOS-3-53840,Cc1nn(C)cc1CCOc1cncc2nnc(-c3cccc(-c4ccon4)c3)n12,XSAOSYUNLVWSJM-UHFFFAOYSA-N,3,1,0.543,15,438,401.43,3.11,5,0.431,0.72,1.0,0.272205469124803,0.2333887327804811,0.182586868617641,0.1480193269823864,0.2090500993763279
EOS-3-53841,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5nccc(C(F)(F)Cl)n5)n4C)n23)cc1,KGJJDTDSWUPUQO-UHFFFAOYSA-N,3,1,0.366,74,542,496.869,2.692,5,0.368,0.73,1.0,0.20731958056336097,0.2901960112398054,0.32569734768007674,0.237517990542115,0.2651827325063395
EOS-3-53842,CN=c1nc(-c2ncco2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)[nH]1,VCSXZESFCUDMDZ-UHFFFAOYSA-N,3,1,0.421,65,658,416.405,1.111,5,0.43,0.41,0.386,0.2534953053252005,0.015120622301418682,0.022505311493386335,0.009594955794667947,0.07517904872866837
EOS-3-53843,CCn1ccc(-c2ccncc2-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)cc4)n23)cc1=O,KMDDCNHFPGMSQB-UHFFFAOYSA-N,3,1,0.302,41,30,489.514,4.903,6,0.32,0.65,0.999,0.30688438078267427,0.32075423206085946,0.7689072030703858,0.7566565005825509,0.5383005791241177
EOS-3-53844,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccsc5)n34)cc2)n1,XMJLEFHIPKZHCV-UHFFFAOYSA-N,3,1,0.6,16,256,401.455,3.592,5,0.444,0.71,1.0,0.6042594750188472,0.4867898019326982,0.29270612021108905,0.2460592145843328,0.4074536529367418
EOS-3-53845,Cc1cc(-c2ncco2)cc(-c2nnc3cncc(OCCc4cncn4C)n23)n1,PLVWWHQXVMUFKN-UHFFFAOYSA-N,3,1,0.419,31,690,402.418,2.505,5,0.426,0.65,1.0,0.25890960180933453,0.07175656226440957,0.08526660270029471,0.05334624083339044,0.11731975190185731
EOS-3-53846,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cn4)n23)nnc1Oc1ccccc1,AMSIJCWTVSUILK-UHFFFAOYSA-N,3,1,0.412,28,177,492.474,4.549,6,0.317,0.67,1.0,0.612800699061065,0.5606880954012747,0.4958621753135494,0.47089815639777943,0.5350622815434172
EOS-3-53847,Fc1nccnc1COc1cncc2nnc(-c3cc(-c4ncccn4)cnn3)n12,WDJNBEVMZXODLB-UHFFFAOYSA-N,3,1,0.398,7,65,402.353,1.546,5,0.427,0.64,0.993,0.4972071825097663,0.46030943732437807,0.08262798985676102,0.0907751353574121,0.28272993626207943
EOS-3-53848,CC#Cc1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)cn1,SJORIAPIPABHOS-UHFFFAOYSA-N,3,1,0.654,89,536,398.426,2.496,4,0.519,0.82,1.0,0.5899869782742787,0.1645963265026386,0.48234356795284766,0.24606778150914949,0.3707486635597286
EOS-3-53849,CC(C)(O)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)NCc5ccncc5)nc4)n23)cc1F,CZVAOHZUZHDIQK-UHFFFAOYSA-N,3,1,0.434,14,357,497.534,3.469,5,0.353,0.9,0.995,0.43709307107120826,0.43405181276129123,0.730373175245014,0.5082242478240011,0.5274355767253787
EOS-3-53850,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5nccn5C)cc4F)n23)cn1,AXACXNLHYHIBGG-UHFFFAOYSA-N,3,1,0.453,13,374,401.405,3.827,5,0.455,0.74,1.0,0.6182406963196491,0.6183006647933658,0.6087314097731479,0.5117109862243849,0.589245939277637
EOS-3-53851,Fc1cnccc1-c1nnc2cncc(OCc3ncc(-c4ccncc4)cn3)n12,QIRZPZGTTULGQY-UHFFFAOYSA-N,3,1,0.446,51,969,400.377,2.756,5,0.444,0.76,1.0,0.6469655952299362,0.6270474950311836,0.43641628401069155,0.4206445754232061,0.5327684874237544
EOS-3-53852,COCc1cnnc(COc2cncc3nnc(-c4cc(-c5ccc(C(F)F)cn5)nc(C)n4)n23)n1,NNMAOMXFGWJTJJ-UHFFFAOYSA-N,3,1,0.376,31,330,492.45,2.8,5,0.316,0.56,0.994,0.3856572544719348,0.2796758275649373,0.22034987320951271,0.17195531492015625,0.26440956754163525
EOS-3-53853,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)ccc4Oc4cc(OC)cc(OC)c4)n23)cc1,NTZIUJPJXFUDSX-UHFFFAOYSA-N,3,1,0.355,62,124,496.527,4.331,5,0.354,0.84,1.0,0.31738743060790897,0.09809985607566309,0.5273199232403536,0.24336063326708246,0.296541960797752
EOS-3-53854,Cc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnnc(F)c5)nc4)n23)nn1,LUBPHLXYRVANTC-UHFFFAOYSA-N,3,1,0.353,53,706,401.365,2.673,5,0.448,0.65,1.0,0.6210335138098828,0.5945531492015627,0.2999708724556233,0.255182989514084,0.4426851312452882
EOS-3-53855,COc1nc(-c2nnc3cncc(OCc4cc(C)c5ccccc5n4)n23)ccc1-c1ncccc1F,ANWGLKCMUYBIGH-UHFFFAOYSA-N,3,1,0.406,28,891,493.502,4.832,6,0.325,0.76,1.0,0.5957867863751628,0.5945617161263793,0.48590740867658144,0.4236087314097731,0.5249661606469741
EOS-3-53856,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cncs5)n34)c2)cn1,XFPICNMYGVQSRN-UHFFFAOYSA-N,3,1,0.494,2,858,402.443,2.987,5,0.442,0.69,1.0,0.40506133918168735,0.32522616681516003,0.19584846823384278,0.14802789390720308,0.26854096703447333
EOS-3-53857,N#CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ncc(Cl)cn5)n4)n23)cc1,UNPXJIQVTBXDOZ-UHFFFAOYSA-N,3,1,0.46,89,731,497.906,3.129,5,0.335,0.82,0.999,0.6155763827016654,0.48679836885751493,0.3401497498457954,0.27599204989377013,0.4296291378246865
EOS-3-53858,Cc1cc(Cc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)c(F)nc1F,SHWYQHWAVLUALG-UHFFFAOYSA-N,3,1,0.354,66,225,405.33,4.44,4,0.372,0.63,1.0,0.45588033719416077,0.6661640737440888,0.9858988417517648,0.9810071276814475,0.7722375950928655
EOS-3-53859,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5-c5ncc(F)cn5)cn4)n23)c(F)c1,GJKOZAGNNXLWRG-UHFFFAOYSA-N,3,1,0.365,10,572,496.441,2.873,6,0.384,0.64,1.0,0.06541703790007539,0.15694606264135427,0.3743060790898499,0.360067850044548,0.23918425741895688
EOS-3-53860,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)cn1,PWTVHFJPFOMJRW-UHFFFAOYSA-N,3,1,0.448,55,85,400.377,2.756,5,0.415,0.79,1.0,0.5984339661435131,0.6516688369542869,0.4686022205469125,0.42695839901309024,0.5364158556644506
EOS-3-53861,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Oc5ccccc5F)nn4)n23)cc1)N1CCOCC1,QNRXBZSGKLBFST-UHFFFAOYSA-N,3,1,0.418,62,376,497.49,3.652,6,0.362,0.83,1.0,0.24830374888629977,0.08572921664039476,0.05574497978205743,0.14318758138578574,0.13324138167363442
EOS-3-53862,Fc1ccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccccc5Cl)c4)n23)cc1F,MMAUKIPJTRKSQE-UHFFFAOYSA-N,3,1,0.675,57,13,484.293,6.017,5,0.286,0.77,1.0,0.9750274141594133,0.9610376259337948,0.978231444040847,0.9876807621136316,0.9754943115619217
EOS-3-53863,Fc1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)c2)c(F)c1,IWQXAMHHVWETBR-UHFFFAOYSA-N,3,1,0.581,88,222,483.4,5.17,5,0.246,0.68,1.0,0.9417706120211089,0.9573110136385443,0.9884432184223151,0.9893084778287986,0.9692083304776917
EOS-3-53864,c1csc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)c1,PJHHCCVABNOFRS-UHFFFAOYSA-N,3,1,0.424,65,658,402.443,2.721,5,0.427,0.62,0.991,0.41182064286203823,0.29537043382907274,0.09958193406894661,0.11871187718456583,0.23137122198615584
EOS-3-53865,Cc1cncc(-c2cnc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cn2)n1,REVAJWQGCGRCAQ-UHFFFAOYSA-N,3,1,0.269,86,206,402.809,2.457,5,0.448,0.56,1.0,0.19896682886710987,0.25394078541566717,0.07592865465012678,0.12553971626345006,0.16359399629908847
EOS-3-53866,Cc1nc(C#N)cc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)c1Cl,YFGABZXXSRTHNT-UHFFFAOYSA-N,3,1,0.473,4,390,489.326,4.709,5,0.326,0.61,1.0,0.6683058049482558,0.842942567336029,0.8078524432869577,0.8060019875265575,0.7812757007744501
EOS-3-53867,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(F)c4)n23)nc1,MYCBFNKPNDJDQP-UHFFFAOYSA-N,3,1,0.432,90,505,396.813,2.929,4,0.573,0.85,0.983,0.24281235007881571,0.2953790007538894,0.629309163182784,0.622806867246933,0.4475768453156055
EOS-3-53868,FCc1ncc(-c2cc(-c3cccc(-c4nnc5cncc(COc6ccccc6)n45)c3)ccn2)cn1,XSBUYCOSTOITAV-UHFFFAOYSA-N,3,1,0.394,41,363,489.514,5.359,6,0.298,0.72,1.0,0.4209444177917895,0.387482009457885,0.6475053114933863,0.6202196559522993,0.5190378486738401
EOS-3-53869,Fc1ccc(-c2nnc3cncc(OCc4ncc(-c5ccncn5)cn4)n23)nc1,FQMZHWNNLGIDAV-UHFFFAOYSA-N,3,1,0.402,51,113,401.365,2.151,5,0.436,0.64,1.0,0.5984425330683298,0.5556250428346241,0.2382890137756151,0.23444246453293127,0.40669976355287507
EOS-3-53870,c1cc(-c2cnccn2)cc(-c2nnc3cncc(OCCc4cnsc4)n23)c1,YVGFNROHELXXQY-UHFFFAOYSA-N,3,1,0.579,35,846,401.455,3.326,5,0.431,0.71,1.0,0.5510931396066068,0.4691333698855459,0.2819974641902543,0.2818261256939209,0.39601252484408195
EOS-3-53871,Clc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ncn(-c4ccccc4)n3)n12,NNVLWHTTYLHDHA-UHFFFAOYSA-N,3,1,0.406,28,807,487.936,4.123,6,0.323,0.58,0.994,0.28841409087793846,0.42932287026249055,0.14760811459118633,0.20229079569597697,0.26690896785689805
EOS-3-53872,Fc1cccc(F)c1-c1nc(Cc2cncc3nnc(-c4ccc(C(F)F)cn4)n23)ccc1Cl,OYFLLJSRQWUOMW-UHFFFAOYSA-N,3,1,0.358,45,358,484.844,5.708,5,0.299,0.66,0.787,0.38797032417243504,0.5606966623260914,0.9691590706599958,0.9763724213556302,0.723549619628538
EOS-3-53873,COc1nccc2c(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c(C)c(C)cc12,DCHCLMDCVMXXMM-UHFFFAOYSA-N,3,1,0.362,33,344,495.543,3.831,6,0.362,0.67,1.0,0.26163388390103487,0.11402576930984853,0.16642108148858886,0.11172126653416489,0.1634505003084093
EOS-3-53874,Cc1cnnc(COc2cncc3nnc(-c4csc(-c5ccncn5)c4)n23)c1,RZBCQKSGNNEMEP-UHFFFAOYSA-N,3,1,0.404,92,185,402.443,2.987,5,0.442,0.67,1.0,0.30449420875882394,0.2539493523404839,0.16953944212185593,0.13845863888698512,0.21661041052703722
EOS-3-53875,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cn2)cn1,MAYMCYKMWAWQEV-UHFFFAOYSA-N,3,1,0.531,55,85,402.443,2.987,5,0.442,0.67,1.0,0.4512713316427935,0.41596703447330546,0.14174833801658557,0.10933109451031457,0.27957944966074977
EOS-3-53876,Cc1nc(-c2cncc(-c3nnc4cncc(OCc5cnccn5)n34)c2)cs1,RJMFIPRNMKYDLG-UHFFFAOYSA-N,3,1,0.442,2,535,402.443,2.987,5,0.442,0.67,1.0,0.337219861558495,0.29020457816462203,0.1695480090466726,0.12756151052018366,0.23113348982249332
EOS-3-53877,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)c(F)c4)n23)cc1,LPGBOGNASSTNAP-UHFFFAOYSA-N,3,1,0.442,66,646,396.813,2.929,4,0.536,0.91,1.0,0.31489445548625866,0.3052480981426907,0.6588993214995545,0.6016979644986635,0.4701849599067918
EOS-3-53878,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5nnn(C)n5)cn4)n23)cn1,MAKGCDGWVSGVAH-UHFFFAOYSA-N,3,1,0.482,92,185,401.394,1.054,5,0.42,0.69,1.0,0.28559557261325474,0.1944092248646426,0.017056747309985607,0.009260845726817901,0.12658059762867524
EOS-3-53879,COc1cc(-c2cncn2C)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4(C)COC4)cc3)n12,VWLXHMLJHKWUMN-UHFFFAOYSA-N,3,1,0.318,62,124,495.543,3.386,6,0.385,0.7,0.999,0.2967325748749229,0.08573778356521143,0.4037248989102872,0.24893770132273318,0.25878323966828864
EOS-3-53880,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)cn1,YUJPKLLNJCLALJ-UHFFFAOYSA-N,3,1,0.443,7,296,403.431,2.382,5,0.436,0.61,0.991,0.36726406689054897,0.2035929682681105,0.06522856555410869,0.04956822698923994,0.17141345692550203
EOS-3-53881,CCOc1cc(F)ccc1-c1nnc2cncc(OCc3cnc(F)cc3F)n12,DUQGJFYVCSIPRT-UHFFFAOYSA-N,3,1,0.524,90,555,401.348,3.581,4,0.46,0.69,1.0,0.842300047974779,0.8528116647248304,0.9034935919402372,0.8584658351038311,0.8642677849359195
EOS-3-53882,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cnccn5)n34)ccn2)ccn1,QDCPMDWKAGTVEN-UHFFFAOYSA-N,3,1,0.494,75,496,400.377,2.756,5,0.415,0.76,1.0,0.5228394215612364,0.5188472345966691,0.4859159756013981,0.44255876910424236,0.49254035021588655
EOS-3-53883,COc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1F,VAFQQAYHKVVOFV-UHFFFAOYSA-N,3,1,0.551,35,669,491.914,4.374,5,0.309,0.64,1.0,0.9407939825920087,0.9164296484134056,0.6417226372421355,0.5582893564526078,0.7643089061750394
EOS-3-53884,Cc1ccc(-c2nnc3cncc(OCc4csc(-c5cccnc5)n4)n23)cn1,KJAKSFFDLMULRR-UHFFFAOYSA-N,3,1,0.531,4,205,401.455,3.592,5,0.444,0.77,1.0,0.4186227811664725,0.45147693783839354,0.21337639640874512,0.1691282297306559,0.3131510862860668
EOS-3-53885,Cc1cnsc1COc1cncc2nnc(-c3cc(-c4ccn(C)n4)ncn3)n12,WPQMYIGZUBPGOO-UHFFFAOYSA-N,3,1,0.414,31,296,405.447,2.326,5,0.438,0.51,0.967,0.21824240970461242,0.10448221506408059,0.038962374066205195,0.024964018915769996,0.09666275443766705
EOS-3-53886,Cn1ncc(-c2nnc3cncc(CCc4cccc(F)c4)n23)c1-c1ncccn1,WTLXWQLMODDDHE-UHFFFAOYSA-N,3,1,0.414,85,580,400.421,2.906,5,0.451,0.75,1.0,0.19897539579192652,0.20841614693989446,0.17300047974778973,0.2551915564389007,0.20889589472962786
EOS-3-53887,Cc1nccc(CCOc2cncc3nnc(-c4cc(C(F)F)ccn4)n23)c1F,ZSFXRYHTTCQGMB-UHFFFAOYSA-N,3,1,0.456,68,457,400.364,3.588,4,0.492,0.71,0.999,0.7078421629771777,0.6516774038791036,0.854782057432664,0.7858611472825714,0.7500406928928791
EOS-3-53888,Cc1cnc(COc2cncc3nnc(-c4c(-c5ccc(F)cc5)ncnc4-c4ccn(C)n4)n23)cn1,JJCUOWUNIRITFA-UHFFFAOYSA-N,3,1,0.432,6,843,494.494,3.465,6,0.342,0.64,1.0,0.3467034473305462,0.392176684257419,0.2236824069631965,0.2198444246453293,0.29560174079912277
EOS-3-53889,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(C(F)(F)F)c5)n34)cc(=O)n2C)nn1,LACMSAYSCHDPGT-UHFFFAOYSA-N,3,1,0.468,43,138,493.449,3.853,5,0.367,0.64,0.988,0.49466280583921596,0.5008652594064834,0.9115636351175382,0.8208227674593928,0.6819786169556575
EOS-3-53890,OCc1cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)cn4)n23)ncn1,NCIVRNOBYQVHQF-UHFFFAOYSA-N,3,1,0.305,96,140,399.389,2.942,5,0.496,0.76,1.0,0.29674114179973954,0.39218525118223563,0.6207508052909327,0.6490644918100199,0.48968542252073194
EOS-3-53891,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccs5)n34)ccn2)cn1,PGMKFTKAESDOPO-UHFFFAOYSA-N,3,1,0.618,7,99,401.455,3.592,5,0.444,0.74,1.0,0.4558889041189775,0.4204818038516894,0.25969775889246793,0.2081934068946611,0.33606546843944896
EOS-3-53892,COc1cnc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)nc1,FKQCONUWAFFNBJ-UHFFFAOYSA-N,3,1,0.408,96,856,399.389,3.458,5,0.428,0.87,1.0,0.4486926872729765,0.5464927009800562,0.6027002947022136,0.5645603454184086,0.5406115070934138
EOS-3-53893,COc1ncccc1-c1cncc2nnc(-c3cnc(-c4ccc(F)nn4)cn3)n12,XMSIIMHFNYSMKG-UHFFFAOYSA-N,3,1,0.292,50,845,401.365,2.248,5,0.447,0.63,0.999,0.4280892330888904,0.4159756013981221,0.17935713796175726,0.16367109862243848,0.2967732677678021
EOS-3-53894,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccoc6)cc5)n34)cc2)c1,DDJGOBHJIWXFIH-UHFFFAOYSA-N,3,1,0.337,21,958,428.495,6.694,6,0.314,0.78,1.0,0.18493420601740798,0.12407477211979988,0.9238400383798232,0.9257675964635734,0.5396541532451511
EOS-3-53895,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6ncccn6)c5)n34)cc2F)nc1,ZSWVAIAEJYDSFN-UHFFFAOYSA-N,3,1,0.529,41,293,494.465,4.563,6,0.332,0.72,1.0,0.9293485710369406,0.8496419025426633,0.7202042354876294,0.6867932287026249,0.7964969844424645
EOS-3-53896,Fc1ncc(-c2nnc3cncc(OCc4nccc(-c5ccccc5)n4)n23)cn1,JHTZCCBWDJBAMA-UHFFFAOYSA-N,3,1,0.437,51,700,400.377,2.756,5,0.415,0.78,1.0,0.6438900692207525,0.622626961825783,0.2854756356658214,0.29073572750325544,0.4606820985539031
EOS-3-53897,Clc1ccc(-c2ncncc2COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)nc1,BFODOOKBKCMADR-UHFFFAOYSA-N,3,1,0.478,28,120,492.93,4.938,6,0.322,0.71,1.0,0.9499348913713933,0.8464036049619629,0.59970187101638,0.6255825508875335,0.7554057295593174
EOS-3-53898,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cncnc5)c4)n23)cc1,WSTMOUNRUZWUGZ-UHFFFAOYSA-N,3,1,0.333,74,450,397.402,1.794,5,0.491,0.89,1.0,0.012464875608251663,0.01657699952025221,0.24535672674936604,0.1531594818723871,0.10688952093756425
EOS-3-53899,Clc1cnc(-c2cnccn2)nc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,PGHHTYXJJDGTBC-UHFFFAOYSA-N,3,1,0.495,40,355,493.918,4.333,6,0.334,0.66,1.0,0.692438832156809,0.7684103214310192,0.35545027756836406,0.40413611130148724,0.55510888561442
EOS-3-53900,Cc1ccc(-c2nnc3cncc(CCc4nnc(-c5cncs5)n4C)n23)cc1,LUVMBQLJWALUDY-UHFFFAOYSA-N,3,1,0.415,85,784,402.487,3.137,5,0.449,0.69,1.0,0.07532896991296005,0.14531217874031938,0.01552326776780207,0.030523953121787403,0.06667209238571722
EOS-3-53901,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cncnc5)ncn4)n23)c1,VOAGKHVGDBDUKC-UHFFFAOYSA-N,3,1,0.488,44,488,400.377,2.756,5,0.444,0.72,0.999,0.6745082585155233,0.5743780412583099,0.5339849907477212,0.5284850250154205,0.5778390788842438
EOS-3-53902,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4Cl)n23)cc1Cl,KXGQWABVMJYQLV-UHFFFAOYSA-N,3,1,0.631,84,360,486.75,5.158,5,0.333,0.56,1.0,0.9072544719347543,0.9143478856829552,0.8266225755602769,0.8882787334658351,0.8841259166609554
EOS-3-53903,O=C(c1ccc(-c2cncc3nnc(-c4cnc(-c5ccnc(Cl)c5)nc4)n23)cc1)N1CCOCC1,JTIRQYJJLFQYQR-UHFFFAOYSA-N,3,1,0.452,52,800,498.934,3.436,6,0.346,0.89,1.0,0.1032571448152971,0.05648173531629087,0.029932835309437324,0.11172983345898156,0.07535038722500172
EOS-3-53904,CC(O)(c1ccc(F)cc1)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncnc5)c4)n23)cn1,KAPXNWZEBVSRKD-UHFFFAOYSA-N,3,1,0.323,41,696,489.514,4.705,6,0.374,0.52,0.977,0.29674970872455625,0.5008738263313001,0.9452145157974093,0.9062949763552876,0.6622832568021383
EOS-3-53905,Cc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)nn2)nc1,IGFORBRIUSAMPK-UHFFFAOYSA-N,3,1,0.376,74,997,398.386,2.441,5,0.489,0.8,1.0,0.0018590226852169146,0.0025615105201836747,0.1858080323487081,0.12332088273593311,0.07838736207251046
EOS-3-53906,COc1cc(-c2nnc3cncc(OCc4cnccn4)n23)ccc1-c1ncco1,JEPUQPZLWQDPDQ-UHFFFAOYSA-N,3,1,0.511,16,248,401.386,2.824,5,0.424,0.7,1.0,0.43233842779795767,0.20842471386471112,0.30720135700089096,0.18017099581934068,0.28203387362072513
EOS-3-53907,COc1cccc(-c2nnc(-c3cncc4nnc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)n2C)n1,CVXPFECFWNURRX-UHFFFAOYSA-N,3,1,0.462,52,229,497.519,2.13,6,0.359,0.75,1.0,0.03275135357412103,0.0020303611815502705,0.002244534301966966,0.002210266602700295,0.00980912891508464
EOS-3-53908,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)cn1,DEWQEGMBFFODQB-UHFFFAOYSA-N,3,1,0.55,7,99,402.443,2.987,5,0.442,0.65,1.0,0.42095298471660614,0.31042252073195803,0.14761668151600302,0.11646734288259886,0.24886488246179153
EOS-3-53909,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5c(F)cncc5Cl)o4)n23)nc1,FQOLAGYWTYUBJW-UHFFFAOYSA-N,3,1,0.39,46,53,494.874,3.358,5,0.361,0.6,0.998,0.47252587211294633,0.4383695428688918,0.28200603111507094,0.24336920019189912,0.35906766157220205
EOS-3-53910,Fc1cc(-c2nnc3cncc(OCc4nnc(-c5cnsc5)s4)n23)ccc1-c1cnccn1,JYHCLFWMULQROG-UHFFFAOYSA-N,3,1,0.483,80,355,489.521,3.941,6,0.343,0.53,1.0,0.5331282982660545,0.5796467000205606,0.2027619765608937,0.2520560619560003,0.3918982592008773
EOS-3-53911,Cc1ccc(COc2cncc3nnc(-c4cnc(-c5nncn5C)nc4)n23)cn1,UWPMVWXXOHTYGS-UHFFFAOYSA-N,3,1,0.623,92,185,400.406,1.659,5,0.433,0.74,1.0,0.3442618737577959,0.1140343362346652,0.04183229387978891,0.027825371804537043,0.13198846891919674
EOS-3-53912,COCC1CCCN1C(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cnn(C)c5)c4)n23)nc1,ZVSAZMSLCVJFAU-UHFFFAOYSA-N,3,1,0.287,52,821,495.547,2.9,6,0.353,0.66,0.809,0.01165101775066822,0.0012250702487834966,0.019618257830169284,0.0454818038516894,0.0194940374203276
EOS-3-53913,CCn1nccc1-c1ccc(-c2cncc3nnc(-c4cccc(F)c4)n23)c(F)c1,QGWLTXLHIXHINT-UHFFFAOYSA-N,3,1,0.44,96,46,402.408,4.62,5,0.44,0.73,1.0,0.2856041395380714,0.37810979370845044,0.8230673017613598,0.8481769583990131,0.5837395483517237
EOS-3-53914,Cc1cc(COc2cncc3nnc(-c4cc(-c5cncn5C)ccn4)n23)n(C)n1,XSJMUVPQKXCTNT-UHFFFAOYSA-N,3,1,0.385,31,662,401.434,2.208,5,0.445,0.66,1.0,0.10805462271263107,0.05649030224110753,0.11254369131656501,0.06077376464944144,0.08446559522993627
EOS-3-53915,Cn1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(F)cc5Cl)n34)c2)cc1=O,ZQDZXXGCNSAAQX-UHFFFAOYSA-N,3,1,0.573,88,70,494.889,4.105,5,0.353,0.66,1.0,0.6012953190322802,0.6086457405249811,0.8651651703104654,0.87564251936125,0.7376871873072441
EOS-3-53916,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccnnc5)n34)c2)cs1,LADMCNVZDFDJMV-UHFFFAOYSA-N,3,1,0.542,72,506,401.455,3.592,5,0.444,0.75,1.0,0.43710163799602497,0.30525666506750737,0.34015831677061203,0.2760006168185868,0.3396293091631828
EOS-3-53917,Fc1ccc(Cc2scnc2COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cn1,GMAAMRJQFVTZAV-UHFFFAOYSA-N,3,1,0.527,27,69,487.442,4.366,5,0.26,0.69,1.0,0.6776780206976903,0.8019755328627236,0.8862055376602015,0.7858697142073882,0.7879322013570009
EOS-3-53918,Fc1ccc(CCn2nccc2-c2cccc(-c3nnc4cncc(OCc5ccccn5)n34)c2)cc1,OLAGTCVYAYOESW-UHFFFAOYSA-N,3,1,0.57,77,177,491.53,5.011,6,0.298,0.74,1.0,0.38566582139675143,0.3296981015694606,0.647513878418203,0.6228154341717497,0.4964233088890412
EOS-3-53920,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CCOCC5)cc4)n23)c(F)c1,VSYXFDKVEJXOSH-UHFFFAOYSA-N,3,1,0.339,61,269,499.51,2.697,6,0.391,0.87,1.0,0.14594613117675279,0.10449078198889726,0.07166232609142623,0.1384672058118018,0.11514161126721953
EOS-3-53921,CCc1ccc(C(F)F)cc1-c1nnc2cncc(-c3cc(-c4cnnc(Cl)c4)cs3)n12,AMBVIJMGBDYHQX-UHFFFAOYSA-N,3,1,0.295,50,315,468.92,6.13,5,0.31,0.63,0.991,0.19617401137687615,0.39686279213213627,0.9321242546775409,0.922709204304023,0.6119675656226441
EOS-3-53922,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4F)n23)nc1,GCSZPIRISBDXLU-UHFFFAOYSA-N,3,1,0.427,90,505,396.813,2.929,4,0.573,0.84,0.991,0.24282091700363237,0.29538756767870605,0.6058529230347475,0.6110273456240148,0.4387721883352752
EOS-3-53923,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Br)c5)n34)ccn2)nc1,MBVPSWOTNLZSGA-UHFFFAOYSA-N,3,1,0.56,75,583,492.312,4.166,5,0.329,0.6,1.0,0.8959889658008361,0.8214224521965595,0.635134672058118,0.6170156260708656,0.7423904290315948
EOS-3-53924,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cn1,NORVCMHWNUACTK-UHFFFAOYSA-N,3,1,0.427,7,119,400.377,2.756,5,0.444,0.71,1.0,0.4849050784730313,0.5053800287848674,0.4288259886231238,0.40141182920978685,0.45513073127270237
EOS-3-53925,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nc2)cc1,ZROZZDKRNFJJGR-UHFFFAOYSA-N,3,1,0.306,93,465,495.51,3.953,7,0.349,0.68,1.0,0.06369508601192515,0.07176512918922623,0.24536529367418272,0.2907442944280721,0.16789245082585152
EOS-3-53926,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnnc(-c6cccnc6)n5)n4)n23)cc1,ADBIBNAKFNUNNX-UHFFFAOYSA-N,3,1,0.545,40,177,495.453,3.958,6,0.338,0.7,0.999,0.7678791720923858,0.8464121718867795,0.5339935576725379,0.5677815091494757,0.6790166027002946
EOS-3-53927,Fc1ccc(-c2nnc3cncc(Cc4nccc(-c5cncnc5)c4F)n23)nc1,CZERKKWRIUAYEX-UHFFFAOYSA-N,3,1,0.358,85,674,402.368,2.907,5,0.456,0.55,1.0,0.33240524981152764,0.3252347337399767,0.5742666712356932,0.6284096360770338,0.46507907271605786
EOS-3-53928,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cnoc5)n4)n23)cc1,RAINEVHVRVVUAG-UHFFFAOYSA-N,3,1,0.337,29,849,399.374,1.658,5,0.478,0.72,1.0,0.24019087108491535,0.07878144061407717,0.07593722157494345,0.04172092385717223,0.10915761428277705
EOS-3-53929,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccncc5)n34)c2)cn1,GWCDDEKVTOBUGH-UHFFFAOYSA-N,3,1,0.549,75,496,400.377,2.756,5,0.444,0.7,1.0,0.49721574943458297,0.5143067644438353,0.47882256185319716,0.417294907819889,0.4769099958878761
EOS-3-53930,CN1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(-c6cncnc6F)cn5)n34)nc2)CC1,FAGYYXPWDABYLG-UHFFFAOYSA-N,3,1,0.353,52,821,496.51,2.232,6,0.345,0.68,0.987,0.02541806593105339,0.009612089644301281,0.006330957439517511,0.02163148516208622,0.0157481495442396
EOS-3-53931,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)nn(C)c2=O)c(F)n1,JCNMEGMXDUEFPM-UHFFFAOYSA-N,3,1,0.385,53,602,493.89,2.459,5,0.328,0.61,0.944,0.3068929477074909,0.2590209718319512,0.13881844972928517,0.18292954561030772,0.22191547871975875
EOS-3-53932,COc1ncc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,AYEVXRCAYUGFKI-UHFFFAOYSA-N,3,1,0.325,82,478,400.377,2.853,5,0.424,0.76,1.0,0.41863134809128916,0.42933143718730726,0.4436981701048592,0.3667757521759989,0.41460917688986365
EOS-3-53933,Fc1cncc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)n1,DDSJDKQGEHSDKQ-UHFFFAOYSA-N,3,1,0.482,75,496,400.377,2.756,5,0.444,0.71,1.0,0.514855047632102,0.5053885957096841,0.4364248509355082,0.40761428277705436,0.46607069426358716
EOS-3-53934,N#Cc1cc(-c2nnco2)cc(-c2nnc3cncc(OCc4ccns4)n23)c1,XDWDMRUDIWZVML-UHFFFAOYSA-N,3,1,0.5,16,256,402.399,2.748,5,0.436,0.64,1.0,0.5331368651908711,0.4559831402919608,0.34390206291549585,0.3217051607155096,0.4136818072784594
EOS-3-53935,c1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)s5)n34)cc2)co1,DBLJEDDICNYIBT-UHFFFAOYSA-N,3,1,0.274,42,174,426.526,6.508,6,0.322,0.72,1.0,0.12998595024330067,0.11121581796998149,0.7504797477897334,0.7951905284079227,0.44671801110273457
EOS-3-53936,Clc1cc(-c2nnc3cncc(Oc4c(Cl)cccc4Cl)n23)cc(-c2nccs2)n1,LVUODCOEHAHUGT-UHFFFAOYSA-N,3,1,0.447,13,145,475.748,6.062,5,0.294,0.71,1.0,0.632170516071551,0.742469673086149,0.8057021451579741,0.8908745116852854,0.7678042115002399
EOS-3-53937,Fc1cc(-c2cc(Cl)nc(Cl)n2)ccc1-c1cncc2nnc(-c3cnc(C(F)F)nc3)n12,XMNMMIAZVNWEHG-UHFFFAOYSA-N,3,1,0.333,50,478,489.248,5.089,5,0.257,0.75,1.0,0.42568192721540676,0.594570283051196,0.8931361798368858,0.9085052429579878,0.7054734082653691
EOS-3-53938,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5nccs5)n4)n23)cn1,QBOXMQPWPBHBHD-UHFFFAOYSA-N,3,1,0.443,24,786,402.443,2.987,5,0.442,0.68,1.0,0.4512798985676102,0.49133883901034886,0.07822459050099376,0.05922315125762456,0.2700166198341444
EOS-3-53939,Cc1cc(COc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)n(C)n1,BELHWSJZAAEXIK-UHFFFAOYSA-N,3,1,0.425,92,36,401.434,2.208,5,0.445,0.69,1.0,0.1989839627167432,0.13082550887533412,0.1633198547049551,0.08883901034884518,0.14549208416146941
EOS-3-53940,Cn1c(-c2cccnc2F)nnc1-c1cncc2nnc(-c3ccc(C(F)F)c(C(F)(F)F)c3)n12,BJVCTPXOTJRJFB-UHFFFAOYSA-N,3,1,0.326,66,311,490.371,4.744,5,0.267,0.73,0.695,0.19618257830169283,0.45599170721677745,0.9738623123843465,0.9561287780138441,0.6455413439791652
EOS-3-53941,Cc1cc(-c2nnc3cncc(OCCc4csc(-c5cccc(Cl)c5)n4)n23)ccc1Cl,OURWETRDNPZLBS-UHFFFAOYSA-N,3,1,0.551,11,732,482.396,6.152,5,0.29,0.79,1.0,0.8172760605852923,0.9143564526077719,0.740662051949832,0.8266568432595436,0.8247378521006099
EOS-3-53942,Cc1cc(-c2cnc(F)cn2)cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)n1,QBPAEFWWMPXJFP-UHFFFAOYSA-N,3,1,0.355,33,53,497.494,2.957,6,0.36,0.75,0.999,0.3581402919607978,0.18143890069220753,0.1296775409499006,0.12332944966074978,0.19814654581591393
EOS-3-53943,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(F)c4)n23)cn1,TVPOBUNFEVKNRW-UHFFFAOYSA-N,3,1,0.447,90,646,396.813,2.929,4,0.573,0.88,1.0,0.3123500788157083,0.40644061407717086,0.5963950380371462,0.6017065314234802,0.4792230655883764
EOS-3-53944,Cc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4C)n23)n(CCF)n1,QBICNNMNUWKNOD-UHFFFAOYSA-N,3,1,0.494,90,12,400.845,3.807,4,0.492,0.72,1.0,0.36488246179151534,0.4780943732437804,0.28548420259063806,0.347200328969913,0.3689153416489617
EOS-3-53945,Cc1ccc(-c2nnc3cncc(-c4c(OCc5ncc(Br)cc5F)cnn4C)n23)nc1,RFEAEDRRFMFDHW-UHFFFAOYSA-N,3,1,0.28,50,432,495.316,3.771,5,0.366,0.68,0.925,0.33948152971009526,0.3687033102597492,0.3439106298403125,0.33448701254197793,0.3466456205880337
EOS-3-53946,Cc1cnc(Oc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,DOZNGKGHGKITFE-UHFFFAOYSA-N,3,1,0.366,55,85,400.377,3.278,5,0.423,0.78,1.0,0.6238091974504831,0.6368737577959016,0.46496984442464534,0.38925536289493523,0.5287270406414913
EOS-3-53947,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3cccc(C(F)(F)F)n3)n12,WFIQRBZLIWIPFH-UHFFFAOYSA-N,3,1,0.351,66,225,398.348,3.279,4,0.571,0.76,0.892,0.30963436364882463,0.32524330066479334,0.9046244260160373,0.7490747721197999,0.5721442156123638
EOS-3-53948,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)n1,QRSJUHDXSXEBJP-UHFFFAOYSA-N,3,1,0.488,75,441,401.455,3.592,5,0.444,0.7,1.0,0.409661777808238,0.3493677609485299,0.26305599342060176,0.21134603522719483,0.3083578918511411
EOS-3-53949,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ncccn5)n[nH]4)n23)c(F)n1,MFAPWSRXPPWMSO-UHFFFAOYSA-N,3,1,0.396,7,242,404.369,1.788,5,0.435,0.53,1.0,0.5097919950654513,0.5324258104310876,0.043305804948255776,0.0417294907819889,0.28181327530669587
EOS-3-53950,FC(F)c1ccc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)s1,QJGKHIJGMUQQBK-UHFFFAOYSA-N,3,1,0.458,87,173,484.919,5.522,5,0.283,0.67,1.0,0.7137961757247618,0.785381399492838,0.8421030087039956,0.8246521828524432,0.7914831916935097
EOS-3-53951,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cc(F)cnn5)c4)n23)o1,XBGJGQOBFPUDGR-UHFFFAOYSA-N,3,1,0.429,72,348,402.389,3.868,5,0.441,0.63,1.0,0.592916866561579,0.3590141182920979,0.6417312041669523,0.5929082996367624,0.5466426221643479
EOS-3-53952,N#Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)ncn2)cn1,AACQAPATMQPRAC-UHFFFAOYSA-N,3,1,0.451,89,463,496.466,2.188,5,0.338,0.68,1.0,0.4602751696251114,0.23883729696388184,0.2419128229730656,0.14803646083201974,0.2722654375985196
EOS-3-53953,Cc1cncc(-c2cc(-c3nnc4cncc(OCCCOc5cccc(F)c5F)n34)cc(C)n2)c1,GZQWWAUXWIJWIW-UHFFFAOYSA-N,3,1,0.419,11,684,488.498,4.991,5,0.284,0.64,1.0,0.6924473990816257,0.5898670413268453,0.7406706188746488,0.6661469398944555,0.6722829997943939
EOS-3-53954,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccn[nH]5)nc4)n23)ccn1,DXDFSGZGEUYPPY-UHFFFAOYSA-N,3,1,0.511,35,578,402.393,2.732,5,0.435,0.64,1.0,0.8279675827564937,0.7767887739017202,0.4892485093550819,0.442567336029059,0.6341430505105887
EOS-3-53955,Cc1cc(Cc2cncc3nnc(-c4ccc(-c5cc(C(F)F)cnc5C)cc4F)n23)ccc1F,GFONSWRHMDOQHL-UHFFFAOYSA-N,3,1,0.321,14,358,477.465,6.277,5,0.28,0.75,0.955,0.4464395860461929,0.6563892125282709,0.9877150298128984,0.9810156946062641,0.7678898807484066
EOS-3-53956,Cn1ccnc1-c1cnnc(-c2nnc3cncc(OCCc4ncnn4C)n23)c1,WCCIUNABXVBAEL-UHFFFAOYSA-N,3,1,0.374,31,105,403.41,0.732,5,0.403,0.61,1.0,0.20732814748817766,0.09510999931464602,0.006339524364334178,0.003503872250017134,0.07807038585429374
EOS-3-53957,Cc1cncc(-c2nnc3cncc(OCc4cccc(-c5cncs5)n4)n23)n1,CODBHROGNIGXKG-UHFFFAOYSA-N,3,1,0.432,7,85,402.443,2.987,5,0.442,0.63,0.978,0.3017270920430402,0.22358817079021315,0.1046963881844973,0.08698855458844493,0.1792500514015489
EOS-3-53958,c1csc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)c1,FPNKTXPWHNXHND-UHFFFAOYSA-N,3,1,0.657,75,583,400.467,3.931,5,0.43,0.84,1.0,0.635160372832568,0.5234648070728531,0.41410801178808854,0.38576005756973475,0.489623312315811
EOS-3-53959,Cc1nn(C)cc1COc1cncc2nnc(-c3cncc(-c4ccnn4C)c3)n12,XZFFTRLDYRMWHY-UHFFFAOYSA-N,3,1,0.443,92,36,401.434,2.208,5,0.445,0.67,1.0,0.16554725515728874,0.11404290315948187,0.14175690494140222,0.07838736207251046,0.12493360633267082
EOS-3-53960,FC(F)(c1ccccn1)c1cncc2nnc(-c3ccccc3-c3cccnn3)n12,AKADVVRVAQKFLZ-UHFFFAOYSA-N,3,1,0.34,14,487,401.38,3.783,5,0.456,0.69,1.0,0.24282948392844905,0.31043108765677474,0.8919539442121855,0.8266654101843602,0.5679699814954424
EOS-3-53961,OCc1cc(F)ccc1-c1nnc2cncc(-c3cncc(-c4ccnnc4)c3)n12,YDFISRGBNCFJHV-UHFFFAOYSA-N,3,1,0.317,82,859,399.389,2.942,5,0.496,0.75,1.0,0.34896511548214654,0.4514855047632102,0.7911469398944555,0.7882084846823384,0.5949515112055377
EOS-3-53962,Cc1cnc(COc2cncc3nnc(-c4nccnc4-c4nnc(C)o4)n23)cn1,OXZXANHABZJJRU-UHFFFAOYSA-N,3,1,0.367,7,828,402.378,1.617,5,0.423,0.62,0.94,0.15734014118292097,0.06038825303269139,0.00855835789185114,0.0037865807689671715,0.05751833321910767
EOS-3-53963,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cn[nH]c5)c(C)n4)n23)n(C)n1,GMFDODYETWHREG-UHFFFAOYSA-N,3,1,0.354,31,662,401.434,2.506,5,0.481,0.66,0.894,0.26428106366938525,0.19906106504009322,0.11552498115276541,0.06367795216229183,0.1606362655061339
EOS-3-53964,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5nnnn5C)n34)ncn2)cn1,OKMGMYBGJOOWDR-UHFFFAOYSA-N,3,1,0.33,31,113,402.382,0.449,5,0.403,0.64,1.0,0.1379617572476184,0.09810842300047974,0.006690768281817559,0.0027671167157837023,0.06138201631142484
EOS-3-53965,Cc1ccc(-c2ncsc2-c2cncc3nnc(-c4c(F)cccc4-c4cccc(F)c4)n23)cn1,NZAMJTDEWTXYKJ-UHFFFAOYSA-N,3,1,0.341,69,192,482.519,6.23,6,0.298,0.74,1.0,0.20163114248509356,0.42492803783154,0.8212082790761428,0.860247755465698,0.5770038037146186
EOS-3-53966,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)n(C)n1,BTXSTPMJCQNFTE-UHFFFAOYSA-N,3,1,0.476,36,320,400.446,2.813,5,0.451,0.72,1.0,0.3834127201699678,0.21821670893016243,0.1761702419299568,0.10491056130491398,0.22067755808375025
EOS-3-53967,Fc1cnccc1-c1cnc(COc2cncc3nnc(-c4ncccn4)n23)nc1,BHXFEQWXCBNOMG-UHFFFAOYSA-N,3,1,0.382,51,48,401.365,2.151,5,0.436,0.66,1.0,0.5485316290864232,0.4425844698786923,0.19245596600644232,0.20229936262079365,0.34646785689808784
EOS-3-53968,COc1ccc(-c2nnc3cncc(Cc4ccc(-c5nnn(C)n5)cc4)n23)cn1,VSQKMRXLUMTPHB-UHFFFAOYSA-N,3,1,0.354,61,784,399.418,1.976,5,0.441,0.79,1.0,0.21003529573024468,0.15312521417312042,0.11553354807758207,0.07652833938729353,0.1388055993420602
EOS-3-53969,Cc1nnc(-c2ccc(Cl)cn2)c(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c1C,SPNMCVNXRHUWHT-UHFFFAOYSA-N,3,1,0.346,52,582,496.962,4.473,6,0.382,0.78,1.0,0.22923377424439723,0.23884586388869852,0.13550304982523473,0.22264580906037967,0.20655712425467754
EOS-3-53970,COCCN=c1cc(-c2ccccn2)cc(-c2nnc3cncc(OCc4cnc(C)cn4)n23)[nH]1,ZHYXIZXVDWXAIY-UHFFFAOYSA-N,3,1,0.369,7,205,469.509,2.406,5,0.343,0.45,1.0,0.0958296209992461,0.0028956205880337196,0.13256459461311768,0.0705743266397094,0.07546604071002673
EOS-3-53971,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4cnoc4)c3)n12,ZXIKZRFYFWRRNS-UHFFFAOYSA-N,3,1,0.612,75,496,403.377,2.997,5,0.426,0.59,1.0,0.6267133849633335,0.4821379617572476,0.5441110958810226,0.5016534164896169,0.5386539647728052
EOS-3-53972,CN=c1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc(-c2ccc(Cl)cc2F)[nH]1,WKQBQFGHSZZIHN-UHFFFAOYSA-N,3,1,0.583,57,146,478.89,4.828,5,0.392,0.49,1.0,0.817284627510109,0.7810979370845041,0.944554862586526,0.9428928791720924,0.8714575765883079
EOS-3-53973,Fc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cc(Cl)cc(Cl)c3Cl)n12,HJSUQTIRSIZVEE-UHFFFAOYSA-N,3,1,0.518,23,255,474.657,5.802,4,0.27,0.62,1.0,0.9349256390925913,0.9471934754300596,0.9920670276197656,0.9956651360427661,0.9674628195462956
EOS-3-53974,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)nn1,KYIGFFOSUVUIDI-UHFFFAOYSA-N,3,1,0.494,2,422,400.377,2.756,5,0.444,0.72,1.0,0.519960934822836,0.5053971626345007,0.38549448290041805,0.37642210951956684,0.4468186724693304
EOS-3-53975,Fc1cnc(-c2cc(COc3cncc4nnc(-c5cnccn5)n34)ncn2)cn1,GLUAYZUEJQOWPG-UHFFFAOYSA-N,3,1,0.391,7,828,402.353,1.546,5,0.427,0.58,1.0,0.4394232746213419,0.44259303680350903,0.14762524844081967,0.14090877938455212,0.29263758481255564
EOS-3-53976,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccccn5)n34)cnn2)cn1,IMYKKNHMRGZDMJ-UHFFFAOYSA-N,3,1,0.472,46,915,401.365,2.151,5,0.436,0.62,0.997,0.5984510999931465,0.4603180042491947,0.23829758070043178,0.23752655746693166,0.38364831060242616
EOS-3-53977,Fc1cc(-c2nnc3cncc(OCc4cc(-c5ccncc5Cl)ccc4F)n23)ccc1Cl,QITWGEPIMMGNJJ-UHFFFAOYSA-N,3,1,0.575,59,13,484.293,6.017,5,0.306,0.71,1.0,0.9761325474607635,0.9827547803440477,0.987877801384415,0.9936262079363991,0.9850978342814063
EOS-3-53978,Fc1ccc(COc2cncc3nnc(-c4cccc(Oc5ccccc5Cl)c4)n23)c(F)c1F,HCHKIPHGRCBCJP-UHFFFAOYSA-N,3,1,0.511,57,590,482.849,6.233,5,0.268,0.81,1.0,0.9560688095401275,0.9739908162565966,0.9887858954149819,0.9901651703104654,0.9772526728805428
EOS-3-53979,Cn1nnc(-c2ccnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)n1,LSRNQTQPJNIWKF-UHFFFAOYSA-N,3,1,0.365,74,918,399.378,0.538,5,0.455,0.74,1.0,0.09816839147419643,0.019772462476869302,0.012541977931601672,0.00602254814611747,0.03412634500719622
EOS-3-53980,CN=c1cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc(-c2ccc(C)nn2)[nH]1,IFDVAYLMDYHUEU-UHFFFAOYSA-N,3,1,0.424,16,772,477.891,3.182,5,0.413,0.38,0.352,0.37176170241929957,0.32525186758961006,0.5708227674593928,0.49192138989788226,0.43993943184154616
EOS-3-53981,COc1cncc2nnc(-c3ccc(-c4nccnc4-c4ccccn4)cc3F)n12,VRLQHHSGZUMWJF-UHFFFAOYSA-N,3,1,0.459,24,0,399.389,3.458,5,0.457,0.79,1.0,0.7704406826125694,0.7424782400109656,0.4751730518812967,0.4521451579740936,0.6100592831197313
EOS-3-53982,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)nn1,GIFAJMWUYCJDFM-UHFFFAOYSA-N,3,1,0.438,53,395,403.431,2.382,5,0.436,0.57,0.629,0.3856743883215681,0.1899287231855253,0.05942019052840792,0.048154684394489757,0.1707944966074978
EOS-3-53983,Cc1cc(COc2cncc3nnc(-c4cc(-c5nccn5C)cnn4)n23)nn1C,FUJPWLFUAXEQKF-UHFFFAOYSA-N,3,1,0.368,92,105,402.422,1.603,5,0.436,0.61,0.979,0.07724796107189363,0.08887327804811185,0.031029401685970803,0.014066890548968543,0.0528043828387362
EOS-3-53984,Cn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cncnn4)n23)cn1,KUCVCZUNYGJRPO-UHFFFAOYSA-N,3,1,0.433,92,779,401.394,0.788,5,0.402,0.69,1.0,0.3348125556850113,0.19441779178945925,0.02134877664313618,0.01930984853676924,0.14247224316359397
EOS-3-53985,N#Cc1ccc(-c2nnc3cncc(-c4nc(-c5ccnc(Cl)c5)no4)n23)cc1,BNJPJURKGUGNDM-UHFFFAOYSA-N,3,1,0.479,74,155,400.789,3.428,5,0.422,0.78,1.0,0.3604105270372147,0.44726201082859296,0.537368926050305,0.6431875813857858,0.49705726132547456
EOS-3-53986,COc1nc(CO)cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)n1,ZEFTWMWJPSVYDZ-UHFFFAOYSA-N,3,1,0.422,31,244,399.798,1.71,4,0.516,0.69,1.0,0.44870125419779316,0.5556336097594408,0.13257316153793433,0.11173840038379823,0.3121616064697416
EOS-3-53987,Fc1nc(-c2nccc(C(F)(F)F)n2)ccc1Oc1cncc2nnc(-c3ccc(Cl)cc3)n12,WDYPAWJEFOFSQH-UHFFFAOYSA-N,3,1,0.512,13,679,487.804,5.247,5,0.253,0.73,1.0,0.9560773764649442,0.9806387499143308,0.967351449523679,0.9404684394489754,0.9611340038379824
EOS-3-53988,N=c1cnc(-c2cccc(-c3nnc4cncc(OCc5cncs5)n34)c2)n[nH]1,YJKVLIGEEXZKCT-UHFFFAOYSA-N,3,1,0.488,16,256,403.431,2.091,5,0.459,0.7,1.0,0.4439209101500925,0.3345212802412446,0.1355116167500514,0.10283736549928038,0.2541977931601672
EOS-3-53989,Cc1ccc(-c2nnc3cncc(OCc4ccc(-n5cccn5)cn4)n23)c(F)n1,MDTUSWBHJBLXJV-UHFFFAOYSA-N,3,1,0.5,4,547,402.393,2.794,5,0.417,0.65,1.0,0.2939825920087725,0.35404530189843053,0.3664930436570489,0.2966983071756562,0.327804811184977
EOS-3-53990,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)ccc1Oc1ccccc1,VVFXMSWWOQGLQE-UHFFFAOYSA-N,3,1,0.485,28,410,491.486,5.154,6,0.302,0.72,1.0,0.8326879583304777,0.7054862586525941,0.82486635597286,0.766893975738469,0.7824836371736001
EOS-3-53991,Cc1ccc(-c2nnc3cncc(-c4ncnc(-c5cccc(Cl)c5)n4)n23)cc1,GPOPZIZVKFITML-UHFFFAOYSA-N,3,1,0.427,29,704,399.845,4.272,5,0.45,0.83,1.0,0.2455280652456994,0.4426016037283257,0.5204749503118361,0.6255911178123501,0.4585489342745528
EOS-3-53992,Cn1cc(CCOc2cncc3nnc(-c4ccnc(-c5cnnn5C)c4)n23)cn1,NDMOSZYZRKSXQH-UHFFFAOYSA-N,3,1,0.531,92,847,402.422,1.337,5,0.418,0.64,1.0,0.2559368788979508,0.1492443972311699,0.057509766294291,0.03784867384003838,0.12513492906586252
EOS-3-53993,CCc1nn(C)cc1-c1cncc2nnc(-c3cncnc3-c3cc(F)ccn3)n12,ORDLXROPESHCMR-UHFFFAOYSA-N,3,1,0.275,50,974,401.409,2.745,5,0.456,0.68,0.811,0.0884877664313618,0.16460489342745527,0.13552018367486807,0.17196388184497294,0.14014418134466453
EOS-3-53994,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)o5)c4)n23)cn1,BCESAEAYYUAYDQ-UHFFFAOYSA-N,3,1,0.512,72,250,399.414,3.432,5,0.443,0.86,1.0,0.48725241587279833,0.35902268521691455,0.28913371256253856,0.2023079295456103,0.33442918579946546
EOS-3-53995,Cn1cc(-n2cc(-c3cncc4nnc(-c5cncc(C(C)(C)C)n5)n34)cn2)cn1,XFELIPMQKDEOAD-UHFFFAOYSA-N,3,1,0.217,92,450,400.45,2.465,5,0.458,0.71,0.984,0.006510862860667535,0.004763210198067302,0.13258172846275101,0.03785724076485505,0.04542826057158523
EOS-3-53996,Fc1ccc(Cl)c(-c2nnc3cncc(-c4cnnc(-c5ccccc5)c4)n23)c1,XBSZUWYMQSLYCK-UHFFFAOYSA-N,3,1,0.378,45,46,402.82,4.708,5,0.437,0.67,1.0,0.2803097800013707,0.5279710095264204,0.8761908025495169,0.9289202247961071,0.6533479542183538
EOS-3-53997,CC(C)(C)c1ncc(Cc2cncc3nnc(-c4ccc(C(=N)N)c(F)c4)n23)cn1,AXFWURYIEXBLNT-UHFFFAOYSA-N,3,1,0.397,78,364,404.453,2.893,4,0.399,0.65,1.0,0.33722842848331164,0.2902131450894387,0.20277054348571036,0.056207593722157494,0.22160492769515452
EOS-3-53998,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5F)cn4)n23)cn1,ZQNYGABIHBMOBJ-UHFFFAOYSA-N,3,1,0.385,96,680,400.392,4.502,5,0.446,0.8,1.0,0.3717702693441162,0.4821465286820643,0.8942413131382358,0.8923394558289356,0.660124391748338
EOS-3-53999,COc1nc(-c2nnc3cncc(OCc4cc(F)c(C#N)n4C)n23)ccc1-c1ccc(Cl)nn1,LWFFVWUQPXBLNL-UHFFFAOYSA-N,3,1,0.366,49,122,491.874,3.234,5,0.351,0.53,0.991,0.5023387704749503,0.5188558015214858,0.4823521348776643,0.41095538345555477,0.4786255225824138
EOS-3-54000,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ncccc4OCc4ccc(F)c(F)c4)n23)cc1,ZBUBXMJIGDRKPO-UHFFFAOYSA-N,3,1,0.412,25,791,497.469,3.901,6,0.341,0.83,1.0,0.42809780001370706,0.48215509560688097,0.5866887122198615,0.6079603865396477,0.5262254985950243
EOS-3-54001,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6COCC6(C)C)cc5)n34)cc2)n1C,XSCNAICXWYTTDF-UHFFFAOYSA-N,3,1,0.333,52,269,493.571,4.376,6,0.369,0.67,1.0,0.2348022753752313,0.08888184497292852,0.16955657597148927,0.13847577273661846,0.1579291172640669
EOS-3-54002,c1ccc(CCc2nc(-c3nnc4cncc(OCCc5ccncn5)n34)ccc2-c2nc[nH]n2)cc1,FVJLXYNDFOXMRP-UHFFFAOYSA-N,3,1,0.429,11,54,490.531,3.168,6,0.324,0.51,0.999,0.4394318415461586,0.3781183606332671,0.09959050099376328,0.10284593242409705,0.2549966588993215
EOS-3-54003,Cc1cc(COc2cncc3nnc(-c4cnnc(-c5nccn5C)c4)n23)n(C)n1,HQXAQZPNLSZVNU-UHFFFAOYSA-N,3,1,0.389,92,105,402.422,1.603,5,0.436,0.61,1.0,0.12420327599204989,0.12408333904461655,0.03222020423548763,0.015223425399218697,0.07393256116784318
EOS-3-54004,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Br)c5)n34)ncn2)nc1,IDJBBUQOHNQTIC-UHFFFAOYSA-N,3,1,0.441,18,481,493.3,3.561,5,0.331,0.57,1.0,0.7138047426495785,0.5696747995339593,0.4614659721746282,0.4645243643341786,0.5523674696730861
EOS-3-54005,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(Br)c4)n23)cc1,ICVJHZPRLXSTNI-UHFFFAOYSA-N,3,1,0.529,63,536,499.756,4.073,5,0.402,0.86,1.0,0.6238177643752998,0.4018915769995203,0.40373346583510383,0.4767322321979302,0.47654375985196346
EOS-3-54006,Cn1cncc1-c1cccc(-c2nnc3cncc(COc4ccc(F)cc4)n23)c1,HHAUZMDCNJLOGJ-UHFFFAOYSA-N,3,1,0.427,14,18,400.417,3.91,5,0.447,0.76,1.0,0.472534439037763,0.46914193681036254,0.7734305393735864,0.7412446028373655,0.6140878795147693
EOS-3-54007,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)c(F)c2)n(C)n1,QTWRFJLGXIYOBO-UHFFFAOYSA-N,3,1,0.469,40,868,493.506,4.07,6,0.342,0.63,1.0,0.46512404907134536,0.5188643684463026,0.5099719004866013,0.42361729833458983,0.47939440408470974
EOS-3-54008,Clc1cccc(-c2ccnc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)c2)c1,XBGJEXKSISVVGZ-UHFFFAOYSA-N,3,1,0.443,28,414,492.93,4.938,6,0.322,0.67,0.998,0.4186399150161058,0.5556421766842574,0.6560037009115208,0.6894232746213419,0.5799272668083064
EOS-3-54009,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ccco5)n34)c2)c1,OVBBEFJKBLBQLJ-UHFFFAOYSA-N,3,1,0.581,11,137,401.401,4.207,5,0.424,0.78,1.0,0.8096343636488246,0.6905712425467754,0.7433349324926325,0.7515249126173669,0.7487663628263999
EOS-3-54010,N#Cc1nc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)ccc1F,LABQFESONQYERS-UHFFFAOYSA-N,3,1,0.319,66,455,400.299,2.597,4,0.487,0.65,0.996,0.3672726338153656,0.4560002741415941,0.9024227263381537,0.834872524158728,0.6401420396134603
EOS-3-54011,Fc1cc(-c2nnc3cncc(C(F)(F)Cc4ccc(-c5cccnc5F)cn4)n23)ccc1Cl,HCESTFXPHVZWFB-UHFFFAOYSA-N,3,1,0.372,14,358,484.844,5.514,5,0.243,0.73,1.0,0.5228479884860531,0.7975978342814063,0.9919128229730656,0.9908676581454321,0.8258065759714892
EOS-3-54012,FCc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)ccc1-c1cncc(F)c1,WMEGACJEKLRMAR-UHFFFAOYSA-N,3,1,0.412,59,445,484.388,4.853,5,0.253,0.59,0.991,0.7932458364745391,0.7895963265026387,0.9590158316770612,0.9541412514563772,0.8739998115276542
EOS-3-54013,Fc1cc(-c2cc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)cnn2)ccn1,XFGLMWQGCJRQER-UHFFFAOYSA-N,3,1,0.329,50,478,404.796,3.498,5,0.425,0.49,0.823,0.2829398259200877,0.4868069357823316,0.720212802412446,0.7858782811322048,0.5689594613117676
EOS-3-54014,CCOc1ccccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5nc(CC)nn5C)nn4)n23)cc1,RZCBSHZZSLLXST-UHFFFAOYSA-N,3,1,0.368,98,39,492.547,3.796,6,0.331,0.6,1.0,0.025426632855870056,0.0564988691659242,0.044796449866355975,0.05335480775820711,0.04501918991158933
EOS-3-54015,FC(F)(F)c1noc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccccc6)cc5)n34)cc2)n1,RYICBJFPSOQXOM-UHFFFAOYSA-N,3,1,0.377,21,810,484.441,6.194,6,0.297,0.79,1.0,0.39024055924885204,0.4293400041121239,0.9337605373175245,0.8937015968747858,0.6617606743883215
EOS-3-54016,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CN=c4ncc(-c5cccc(F)c5)n[nH]4)n23)nc1,QYWCEZPJLCJLBR-UHFFFAOYSA-N,3,1,0.36,52,523,482.483,2.104,6,0.378,0.49,0.669,0.1404890000685354,0.12756151052018366,0.05751833321910767,0.09874237543691317,0.10607780481118498
EOS-3-54017,CC1(NC(=O)c2ccc(-c3nnc4cncc(-c5ccc(-c6ccnn6C(C)(C)C)cn5)n34)cc2)CC1,BXAKDWOHNQROOQ-UHFFFAOYSA-N,3,1,0.333,52,295,492.587,4.754,6,0.38,0.66,1.0,0.11891748338016586,0.0717736961140429,0.11554211500239873,0.07839592899732711,0.09615730587348366
EOS-3-54018,Cc1ccccc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnn5)n4)n23)ncn1,NCGMOAZSZWCWNV-UHFFFAOYSA-N,3,1,0.39,81,218,491.49,4.127,6,0.339,0.54,0.622,0.5199695017476527,0.48681550270714824,0.4141165787129052,0.39520937564251934,0.4540277397025563
EOS-3-54019,CCn1ncc(-c2cncc3nnc(-c4cnc(C)cn4)n23)c1-c1cc(F)ccn1,RUGMTJJJWUATRV-UHFFFAOYSA-N,3,1,0.293,50,974,401.409,2.974,5,0.456,0.65,1.0,0.0772565279967103,0.14532074566513603,0.11255225824138167,0.1480450277568364,0.1207936399150161
EOS-3-54020,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5-n5nccn5)n34)cc2C)n1,LJUBOUHGULIKGQ-UHFFFAOYSA-N,3,1,0.474,71,247,494.494,3.559,6,0.342,0.61,1.0,0.3742632444657666,0.3003049825234734,0.32570591460489345,0.29075286135288875,0.3227567507367555
EOS-3-54021,Fc1cccc(COc2cncc3nnc(-c4cncnc4-c4ncccn4)n23)n1,ZVBZRAGCMRDERE-UHFFFAOYSA-N,3,1,0.478,7,242,401.365,2.151,5,0.408,0.69,1.0,0.5406414913302721,0.5054057295593174,0.16642964841340552,0.18017956274415736,0.3481641080117881
EOS-3-54022,COc1cc(-c2nnc3cncc(OCc4cccc(-c5cnncn5)n4)n23)ccc1-c1ncnn1C,JHPKWCUWAJQVEG-UHFFFAOYSA-N,3,1,0.451,71,415,493.491,2.421,6,0.323,0.55,0.999,0.27221403604961963,0.15313378109793707,0.1537677335343705,0.08884757727366184,0.16699078198889727
EOS-3-54023,Cc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)cc(Cl)n2)o1,UEHVULQXKBJHMG-UHFFFAOYSA-N,3,1,0.56,59,89,487.734,5.689,5,0.294,0.73,1.0,0.8794890686039339,0.9366561579055582,0.8749057638270167,0.8978908231101363,0.8972354533616613
EOS-3-54024,c1cnc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)cnn2)nc1,KFHKXIWZBUDMEA-UHFFFAOYSA-N,3,1,0.488,65,65,402.443,2.721,5,0.427,0.62,1.0,0.5459187170173394,0.4293485710369406,0.10470495510931396,0.10933966143513124,0.29732797614968126
EOS-3-54025,Fc1cc(Cl)c(Cl)cc1-n1nnc(-c2cncc3nnc(-c4ccc(-c5nnco5)cc4)n23)n1,SDRPQESYZNVSFB-UHFFFAOYSA-N,3,1,0.298,3,973,495.265,3.93,6,0.335,0.69,0.976,0.1879069289287917,0.3540538688232472,0.482360701802481,0.6546929614145707,0.4197536152422726
EOS-3-54026,Oc1ccc(C(F)F)cc1-c1nnc2cncc(OCCc3ccccc3F)n12,IZKBEKHYZNEVKT-UHFFFAOYSA-N,3,1,0.679,48,135,400.36,4.195,4,0.525,0.76,1.0,0.9087108491535878,0.852820231649647,0.9677540949900624,0.9522051264478103,0.9203725755602769
EOS-3-54027,Cc1ncc(-c2nnc3cncc(OCc4cncc(-c5ncnn5C)n4)n23)cn1,OSSXKPMWCJWXFZ-UHFFFAOYSA-N,3,1,0.376,7,535,401.394,1.054,5,0.42,0.65,0.927,0.2428380508532657,0.13799602494688507,0.015531834692618738,0.007950106229867727,0.10107900418065932
EOS-3-54028,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5nc(-c6nccs6)no5)ncn4)n23)c(Cl)c1,LXVMBILZEUDLRO-UHFFFAOYSA-N,3,1,0.364,44,971,493.871,4.34,6,0.341,0.68,0.97,0.6070608594338976,0.6086543074497979,0.23830614762524843,0.3439877321636625,0.44950226166815166
EOS-3-54029,COc1ncc(F)cc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc(C)n1,CPTZWWPTSRJCII-UHFFFAOYSA-N,3,1,0.618,88,360,492.461,4.604,5,0.328,0.62,1.0,0.8648738948666986,0.8291669522308273,0.8451185662394627,0.7592180111027346,0.8245943561099307
EOS-3-54030,Cc1nc(-c2ccnc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5nnc(Cl)o5)cn4)n23)s1,QYRQNCCHNVYHFQ-UHFFFAOYSA-N,3,1,0.28,70,572,491.899,4.523,6,0.327,0.66,0.72,0.25350387225001714,0.36871187718456583,0.21338496333356177,0.287625933794805,0.2808066616407375
EOS-3-54031,Cc1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccc4)n23)nn1,NSSKKAQQNFVYNZ-UHFFFAOYSA-N,3,1,0.443,72,54,401.455,3.592,5,0.444,0.76,1.0,0.3717788362689329,0.31561407717085876,0.1155506819272154,0.13195634295113426,0.2337249845795353
EOS-3-54032,Cc1cc(-c2nnc3cncc(OCc4ncnnc4-c4ccccn4)n23)cs1,XYDBITNRKVHRPE-UHFFFAOYSA-N,3,1,0.478,7,185,402.443,2.987,5,0.442,0.64,1.0,0.2535124391748338,0.16461346035227195,0.07823315742581043,0.08340758001507778,0.1449416592419985
EOS-3-54033,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)cn1,ZLCZRTBWNHCGIK-UHFFFAOYSA-N,3,1,0.5,55,441,400.377,2.756,5,0.415,0.74,1.0,0.7473014186827497,0.5696833664587759,0.580280652456994,0.5117195531492016,0.6022462476869304
EOS-3-54034,OCc1cncc(-c2cnnc(-c3cncc4nnc(-c5cnc(-c6ccc(F)cc6F)cn5)n34)c2)c1,JJTXFQBLRLRTHX-UHFFFAOYSA-N,3,1,0.272,39,72,495.453,3.538,6,0.382,0.59,0.978,0.31235864574052497,0.42493660475635664,0.7406791857994655,0.7592265780275512,0.5593002535809746
EOS-3-54035,COc1ncc(-c2ncc(Cl)cn2)cc1COc1cncc2nnc(-c3ccc(Cl)c(C)c3)n12,SSXPRRJNQGJJJV-UHFFFAOYSA-N,3,1,0.506,16,82,494.342,4.846,5,0.331,0.77,1.0,0.7820145980398876,0.8019840997875403,0.6351432389829347,0.604704955109314,0.7059617229799191
EOS-3-54036,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)nn5)nc4)n23)cn1,YFNPDPUSVXOBAN-UHFFFAOYSA-N,3,1,0.4,85,60,399.393,2.472,5,0.454,0.73,1.0,0.3173959975327256,0.3156226440956754,0.19931807278459324,0.19640531834692618,0.2571855081899801
EOS-3-54037,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2)nn1,WBWPELOXAMFZIV-UHFFFAOYSA-N,3,1,0.518,20,846,399.418,1.998,5,0.426,0.8,1.0,0.465132615996162,0.3104396545815914,0.12145329312589953,0.10074703584401343,0.24944314988691663
EOS-3-54038,Cn1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2)n1,XSXLISTYELNISW-UHFFFAOYSA-N,3,1,0.634,15,447,399.418,1.998,5,0.426,0.8,1.0,0.6410458501816189,0.3446131176752793,0.12404907134534987,0.1070608594338976,0.3041922246590364
EOS-3-54039,Clc1cnc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cn3)n12,BJGFDIKPTFPWQI-UHFFFAOYSA-N,3,1,0.418,6,826,494.906,3.728,6,0.337,0.64,1.0,0.5587262696182578,0.5990422178054965,0.19932663970940992,0.25206462888081693,0.4022899390034953
EOS-3-54040,Cc1ccc(-c2nnc3cncc(OCc4csc(-c5ccnnc5)n4)n23)cc1,MZBUTYUHWFDFHZ-UHFFFAOYSA-N,3,1,0.519,89,731,401.455,3.592,5,0.444,0.73,1.0,0.4302994996915907,0.4734853676924131,0.2703378795147694,0.24035364265643205,0.3536190973888013
EOS-3-54042,Fc1cnc(-c2ccnc(Cl)c2F)nc1COc1cncc2nnc(-c3cnc(Cl)nc3)n12,UUOAAYCEVLVOAA-UHFFFAOYSA-N,3,1,0.435,73,434,488.245,3.597,5,0.27,0.56,0.988,0.7875916660955383,0.8528287985744637,0.5742752381605098,0.651874443149887,0.7166425364950997
EOS-3-54043,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(-c5ccsc5)cc4Cl)n23)c1,MMPNVHGYJQBCIS-UHFFFAOYSA-N,3,1,0.537,59,607,472.879,6.17,5,0.287,0.66,1.0,0.9360907408676582,0.9448204372558426,0.9870125419779316,0.9910989651154821,0.9647556713042287
EOS-3-54044,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncncn5)cc4)n23)ccn1,NOWRUTUWSBFJRN-UHFFFAOYSA-N,3,1,0.551,16,55,400.377,2.756,5,0.415,0.73,1.0,0.94994345829621,0.7725824138167363,0.5639777945308752,0.48891439928723185,0.6938545164827634
EOS-3-54045,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nncn5C)c4)n23)nn1,FYNKGFOSFJLUMP-UHFFFAOYSA-N,3,1,0.429,53,105,400.406,1.659,5,0.433,0.72,1.0,0.29919128229730657,0.10808032348708108,0.0557535467068741,0.04285175793297238,0.12646922760605853
EOS-3-54046,FC(F)c1ncc(-c2cccc(-c3nnc4cncc(Cc5ccc(-c6cncnc6)cn5)n34)c2)cn1,PNUDGLLLGBTYNG-UHFFFAOYSA-N,3,1,0.326,94,809,493.481,4.629,6,0.331,0.64,1.0,0.25594544582276746,0.28487595092865464,0.7020509218011103,0.6344578849976013,0.46933255088753345
EOS-3-54047,Fc1cccc(-c2cc(F)ccc2-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)c1,VUFBRXKUEFSTEU-UHFFFAOYSA-N,3,1,0.383,69,192,480.453,6.0,6,0.29,0.64,1.0,0.3372369954081283,0.6135031868960318,0.9568055650743609,0.9660664108011788,0.718403039544925
EOS-3-54048,CCn1cncc1-c1cncc(-c2nnc3cncc(Oc4ccccc4F)n23)c1,AQUVSZZCLSREIT-UHFFFAOYSA-N,3,1,0.404,13,995,401.405,4.001,5,0.443,0.72,1.0,0.44644815297100954,0.4913474059351655,0.6116527311356316,0.5741981358371598,0.5309116064697416
EOS-3-54049,CCn1cncc1-c1cncc(-c2nnc3cncc(OCc4ncn(C)n4)n23)c1,YVSGEQDZIVAFMM-UHFFFAOYSA-N,3,1,0.365,92,905,402.422,1.777,5,0.422,0.62,0.996,0.1655558220821054,0.13800459187170172,0.04480501679117264,0.02673737235282023,0.09377570077445001
EOS-3-54050,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1)N1Cc2ccccc2C1,OQVANIDYJCJPLW-UHFFFAOYSA-N,3,1,0.371,30,93,495.546,5.071,7,0.339,0.83,1.0,0.09583818792406278,0.07178226303885957,0.36298917140703174,0.4363134809128915,0.2417307758207114
EOS-3-54051,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5nncn5C)c4)n23)cn1,PVJGJNHHQIAXKU-UHFFFAOYSA-N,3,1,0.512,92,571,400.406,1.659,5,0.433,0.73,1.0,0.38107394969501746,0.1944263587142759,0.061519087108491535,0.046826811047906244,0.17096155164142277
EOS-3-54052,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5ncnn5C)c4)n23)nn1,GONLGCLDHAHSHO-UHFFFAOYSA-N,3,1,0.429,53,105,400.406,1.659,5,0.433,0.71,0.994,0.2616424508258515,0.09811698992529641,0.05383455554794051,0.03673497361387156,0.11258224247824002
EOS-3-54053,Cn1nc(-c2nnc3cncc(Cc4cccc(-c5c[nH]nn5)c4)n23)cc1-c1ccc(C#N)cc1Cl,WVUJYEOAVGTDSW-UHFFFAOYSA-N,3,1,0.351,14,319,492.934,4.093,6,0.384,0.53,0.014,0.18494277294222466,0.25395791926530054,0.6475224453430196,0.7091957370982113,0.44890471866218906
EOS-3-54054,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cncc(F)c5)cn4)n23)cn1,UIOONHLYCZFCGH-UHFFFAOYSA-N,3,1,0.418,2,412,399.389,3.883,5,0.453,0.84,1.0,0.7560482489205674,0.7054948255774107,0.6668494277294222,0.5987423754369131,0.6817837194160784
EOS-3-54055,CCn1c(COC)nnc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,GKQJPXSMZISSRM-UHFFFAOYSA-N,3,1,0.447,68,105,400.83,2.176,4,0.434,0.72,1.0,0.21267390857377835,0.4113837296963882,0.01255054485641834,0.02497258584058666,0.16539519224179292
EOS-3-54056,CC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cn1,BYAPXGFVEBCHQM-UHFFFAOYSA-N,3,1,0.444,68,455,399.336,2.789,4,0.487,0.73,1.0,0.3096429305736413,0.4204903707765061,0.6940494140223425,0.4584247138647111,0.47065185730930026
EOS-3-54057,CC(C)c1c(-c2cncc3nnc(-c4ccc(C(=O)NCc5cccs5)cn4)n23)nc2ccccn12,GBHVBBBZYVOQFQ-UHFFFAOYSA-N,3,1,0.288,33,776,494.584,4.616,6,0.363,0.71,1.0,0.12999451716811733,0.07179082996367624,0.14763381536563636,0.09275409499006236,0.11054331437187308
EOS-3-54058,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6c(C)ncnc6C)cn5)n34)cc2)[nH]1,CLPKETUYILGJPF-UHFFFAOYSA-N,3,1,0.374,40,622,489.543,5.059,6,0.357,0.6,1.0,0.43454012747584125,0.2590295387567679,0.34791995065451303,0.20820197381947775,0.31242289767665
EOS-3-54059,COc1nc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(OCCc3cnc(C(F)F)cn3)n12,XCSYYSGCRFZTDS-UHFFFAOYSA-N,3,1,0.473,7,456,491.462,3.309,5,0.319,0.51,0.869,0.5613648824617915,0.5095778219450346,0.2891422794873552,0.15859091220615448,0.379668974025084
EOS-3-54060,Cc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)n2)nn1,LJPQRGGQXXFYSA-UHFFFAOYSA-N,3,1,0.47,89,788,497.494,2.957,6,0.36,0.71,1.0,0.3717874031937496,0.24409738880131587,0.09018401754506203,0.1117469673086149,0.20445394421218557
EOS-3-54061,COc1ncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4C)n23)cc1-c1ccc(C)nc1,HVRMAJWCWPTYBX-UHFFFAOYSA-N,3,1,0.495,35,657,487.951,4.544,5,0.308,0.54,1.0,0.6865961894318415,0.6709872524158728,0.5136128435336852,0.37958330477691726,0.5626948975395792
EOS-3-54062,Cc1nsc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(Cl)c5)n34)s2)n1,GPCOFZUYZJGPAH-UHFFFAOYSA-N,3,1,0.321,39,176,488.989,5.457,6,0.325,0.69,1.0,0.11346891919676513,0.24410595572613256,0.15377630045918717,0.2937855527379892,0.20128418203001852
EOS-3-54063,COC(=O)c1ncc(-c2cncc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)cn1,AQYFXBOCFWCLEQ-UHFFFAOYSA-N,3,1,0.444,87,173,488.895,3.1,5,0.249,0.6,1.0,0.4923326022890823,0.43837810979370845,0.1568261256939209,0.13410664108011788,0.3054108697142074
EOS-3-54064,Cc1ccc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)n4)n23)c(C)c1,MGIBKMKYCLSRNX-UHFFFAOYSA-N,3,1,0.512,66,12,399.376,4.401,4,0.509,0.82,1.0,0.8580717565622644,0.8097457336714413,0.9594270440682613,0.8650538002878487,0.873074583647454
EOS-3-54065,Cc1cnc(-c2nnc3cncc(OCc4cncc(-c5ncnn5C)c4)n23)cn1,JWELQVOSPZKWOF-UHFFFAOYSA-N,3,1,0.449,7,828,400.406,1.659,5,0.433,0.71,1.0,0.2772513878418203,0.09812555685011308,0.05942875745322459,0.03786580768967172,0.11816787745870742
EOS-3-54066,CCn1nc(-c2cc(C)cnc2OC)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,BKVPGPDQHBPOHL-UHFFFAOYSA-N,3,1,0.265,33,108,496.535,2.736,6,0.36,0.71,0.776,0.11047906243574807,0.09813412377492975,0.004686107874717292,0.002655746693167021,0.05398876019464053
EOS-3-54067,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cnc(F)cn6)cn5)n34)cn2)nc1,CSUQBDUGQZUSDN-UHFFFAOYSA-N,3,1,0.44,80,277,496.441,3.353,6,0.338,0.69,1.0,0.6623860598999384,0.7004917414844767,0.45088582002604344,0.42696696593790695,0.5601826468370914
EOS-3-54068,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5nc(-c6cccs6)ns5)n34)c2)cs1,QQERPSVMBLKUTO-UHFFFAOYSA-N,3,1,0.458,28,667,489.611,5.382,6,0.31,0.74,1.0,0.33724556233294495,0.44261017065314234,0.0945531492015626,0.10491912822973065,0.24483200260434512
EOS-3-54069,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)c2)cnc1C(F)F,ZGCMIGWZIIBIAN-UHFFFAOYSA-N,3,1,0.478,13,145,482.853,6.079,5,0.302,0.66,1.0,0.7820231649647043,0.8893153313686519,0.939860187786992,0.9277893907203071,0.8847470187101638
EOS-3-54070,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ncncc5C)n34)cc2)no1,AFGUUGIKEQQTNU-UHFFFAOYSA-N,3,1,0.494,56,921,400.402,2.827,5,0.439,0.74,1.0,0.4209615516414228,0.3297066684942773,0.11256082516619834,0.07452367898019327,0.23443818107052294
EOS-3-54071,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)nc1,IJNJQIPVTCDXOI-UHFFFAOYSA-N,3,1,0.476,68,457,398.333,1.592,4,0.517,0.73,1.0,0.45128846549242685,0.2235967377150298,0.32926975532862723,0.19641388527174286,0.3001422109519567
EOS-3-54072,COc1ncc(-c2cncc3nnc(-c4ccc(-c5nnc(C)n5C)cc4)n23)cn1,MINQCHGXZFRSMO-UHFFFAOYSA-N,3,1,0.361,50,336,399.418,2.361,5,0.453,0.75,1.0,0.1961911452265095,0.08232814748817764,0.06523713247892536,0.03575834418477143,0.09487869234459598
EOS-3-54073,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc1,DSALMMVTTRCDPF-UHFFFAOYSA-N,3,1,0.561,68,12,397.345,2.197,4,0.529,0.81,1.0,0.5868514837913782,0.3252604345144267,0.5543314371873073,0.3635288876704818,0.4574930607908985
EOS-3-54074,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nc(C)n[nH]5)nc4)n23)cn1,GFMDHHXMNJWRFS-UHFFFAOYSA-N,3,1,0.59,55,283,399.418,2.562,5,0.479,0.78,1.0,0.47495887876088,0.31044822150640805,0.16015009252278803,0.09662634500719622,0.26054588444931803
EOS-3-54075,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnn(C)c5O)cn4)n23)c1,IOEWFKNAXSVWCD-UHFFFAOYSA-N,3,1,0.25,64,449,461.489,3.725,6,0.422,0.34,0.406,0.0981769583990131,0.06801281611952574,0.2526900143924337,0.22884826262764718,0.16193201288465492
EOS-3-54076,Clc1ccc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nn2)nn1,YZPYBEUOFSQABZ-UHFFFAOYSA-N,3,1,0.381,6,826,495.894,3.123,6,0.336,0.62,0.302,0.43454869440065796,0.5511873757795902,0.16332842162977176,0.22265437598519636,0.3429297169488041
EOS-3-54077,Cc1cc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)cn4)n23)ccc1F,KPGSPZWRKXTAHG-UHFFFAOYSA-N,3,1,0.4,96,837,400.392,4.502,5,0.446,0.8,1.0,0.3069015146323076,0.505414296484134,0.8837296963881845,0.9004094990062367,0.6491137516277157
EOS-3-54078,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(-c6cnn(C)c6)c5)n34)ncn2)cn1,NQCYROBQUIJQLW-UHFFFAOYSA-N,3,1,0.404,6,549,494.494,3.465,6,0.342,0.61,0.985,0.46259680625042837,0.3156312110204921,0.46861078747172913,0.3795918717017339,0.40660766911109586
EOS-3-54079,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c(F)cccc5Cl)cc4)n23)cc1Cl,BORVQYZWMHBTBE-UHFFFAOYSA-N,3,1,0.361,83,405,492.341,5.931,5,0.338,0.87,1.0,0.40094064834487014,0.5143153313686519,0.9474590500993764,0.9621855938592283,0.7062251559180317
EOS-3-54080,N#Cc1ccc(-c2nnc3cncc(-c4cc(Cl)ccc4OC(F)F)n23)cn1,LMOAYEYHDDZVMN-UHFFFAOYSA-N,3,1,0.389,68,861,398.76,3.98,4,0.516,0.82,0.999,0.6558494962648208,0.7936142142416558,0.9719347543005963,0.972585840586663,0.8484960763484339
EOS-3-54081,Cn1cncc1C(=O)c1ccc(-c2cncc3nnc(-c4cnc(-c5cnccn5)nc4)n23)c(Cl)c1,VULJGOAJXTWVHA-UHFFFAOYSA-N,3,1,0.3,86,459,494.906,3.323,6,0.331,0.62,0.999,0.2510794325269001,0.2848845178534713,0.30371461860050714,0.3279247481324104,0.2919008292783222
EOS-3-54082,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-n5cnc(-c6cccnc6)c5)n4)n23)nc1,HFNZBZFXLLRIRV-UHFFFAOYSA-N,3,1,0.396,6,414,493.506,3.898,6,0.329,0.6,0.985,0.45589747104379413,0.37812692755808375,0.3292783222534439,0.2967068741004729,0.3650023987389487
EOS-3-54083,Clc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cccnn6)ncn5)n34)nc2)nn1,JVFYHMZIYUZVFY-UHFFFAOYSA-N,3,1,0.369,6,826,495.894,3.123,6,0.336,0.65,0.948,0.4487098211226098,0.5324343773559044,0.23831471455006512,0.25520012336371733,0.36866475909807417
EOS-3-54084,COc1cccc(-c2nccnc2-c2nnc3cncc(Cc4ccc(-c5nnn(C)n5)cc4F)n23)c1,STXKJXXECGUAHO-UHFFFAOYSA-N,3,1,0.345,39,972,494.494,3.177,6,0.344,0.56,0.784,0.3419231032828456,0.3395243643341786,0.25269858131725037,0.24894626824754987,0.2957730792954561
EOS-3-54085,Cc1cnc(COc2cncc3nnc(-c4cc(-c5nc(C)nn5C)n[nH]4)n23)cn1,FVHUCJAHGURXHJ-UHFFFAOYSA-N,3,1,0.381,7,105,403.41,1.296,5,0.46,0.56,1.0,0.04996230553080666,0.02921321362483723,0.00942361729833459,0.0032125968062504283,0.022952933315057225
EOS-3-54086,CCc1nc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)ccc1-c1nc(C)nn1C,XNCZJLMZGAZNDH-UHFFFAOYSA-N,3,1,0.38,31,690,493.934,3.662,5,0.338,0.63,0.291,0.492341169213899,0.4821636625316976,0.0716708930162429,0.09875094236172983,0.28623166678089235
EOS-3-54087,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1,ZQFQTCAWTPKZHD-UHFFFAOYSA-N,3,1,0.333,74,997,397.402,1.794,5,0.491,0.87,1.0,0.017493660475635667,0.013767048180385169,0.17300904667260641,0.11647590980741553,0.08018641628401069
EOS-3-54088,COCc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)ccn2)c(F)n1,ORSABQDANDKLOI-UHFFFAOYSA-N,3,1,0.474,75,279,492.902,3.599,5,0.3,0.62,0.995,0.6267219518881503,0.6466057843876362,0.4508943869508601,0.4109639503803715,0.5337965184017546
EOS-3-54089,N#Cc1ccc(-c2nnc3cncc(-c4ccccc4OCCc4ccc(F)c(Cl)c4)n23)c(F)c1,RHLIPNXWTMZEAI-UHFFFAOYSA-N,3,1,0.511,57,485,487.897,5.883,5,0.299,0.77,1.0,0.7960472208895895,0.8893238982934686,0.9836029059008978,0.9852648893153314,0.9135597285998218
EOS-3-54090,COc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)n2)s1,JPFGQGSSIVAQMD-UHFFFAOYSA-N,3,1,0.535,4,268,496.35,4.055,5,0.347,0.72,0.993,0.5929254334863957,0.7100352957302447,0.1664382153382222,0.15859947913097114,0.40699960592145845
EOS-3-54091,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(Cl)c5)cn4)n23)cc1,XEVYCQVTRRHFKC-UHFFFAOYSA-N,3,1,0.478,89,637,497.946,4.373,6,0.355,0.83,1.0,0.5929340004112124,0.46915050373517925,0.34792851757932974,0.4392690699746419,0.46232052292509085
EOS-3-54092,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cccnc5OCc5ccccc5F)n34)nc2)nc1,IMDRYTHYBXLXOX-UHFFFAOYSA-N,3,1,0.353,32,977,494.465,4.563,6,0.332,0.7,1.0,0.5559334521280241,0.6086628743746145,0.6530738126242204,0.6344664519224179,0.6130341477623192
EOS-3-54093,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)s5)n34)s2)cn1,CFYLRHOTPQWDIA-UHFFFAOYSA-N,3,1,0.32,30,126,455.543,6.449,6,0.287,0.66,1.0,0.15181447467617024,0.21822527585497908,0.7433434994174491,0.7995425262147899,0.4782314440408471
EOS-3-54094,Cn1ccc(-c2cc(-c3nnc4cncc(OCc5cccnn5)n34)nc(=O)[nH]2)n1,KLTXKPWXTDCSEK-UHFFFAOYSA-N,3,1,0.385,53,587,402.378,0.644,5,0.448,0.62,0.991,0.09818552532382976,0.03520149407168802,0.04665547255157289,0.031569117949420876,0.052902902474127884
EOS-3-54096,COC(=O)N(Cc1cncc2nnc(-c3cccc(-c4sc(C)nc4C)c3)n12)c1nc(C)ns1,YPHQKLGMOMPIQB-UHFFFAOYSA-N,3,1,0.374,85,172,492.59,4.465,5,0.353,0.61,1.0,0.05672160921115756,0.03521006099650469,0.003863683092317182,0.0004711808649167295,0.024066633541224042
EOS-3-54097,Fc1ccc(F)c(-c2ccc(-c3cncc4nnc(-c5cc(F)c(Cl)c(F)c5)n34)cc2)c1,CJQZVLLKQKCNKX-UHFFFAOYSA-N,3,1,0.4,83,533,454.814,6.335,5,0.236,0.73,1.0,0.487260982797615,0.896922760605853,0.9967017339455829,0.9995973545336166,0.8451207079706669
EOS-3-54098,COc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cnc2OC)cn1,WCTVGTYCPOEGTE-UHFFFAOYSA-N,3,1,0.444,2,657,493.886,4.032,5,0.332,0.63,1.0,0.8069529161812076,0.7378863683092317,0.7226458090603797,0.5677900760742923,0.7088187924062778
EOS-3-54099,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(=O)n(CCOC(F)F)c5)n34)nc2)n1,IVLZXFDYWPMHHC-UHFFFAOYSA-N,3,1,0.33,92,412,494.462,3.088,5,0.323,0.64,1.0,0.2829483928449044,0.2694297854842026,0.43643341786032486,0.3312744157357275,0.33002150298128985
EOS-3-54100,O=C(c1ccc(-c2nnc3cncc(-c4cc(-c5cccnn5)ncn4)n23)cc1)N1Cc2ccccc2C1,JWTMCDHHXMOJHZ-UHFFFAOYSA-N,3,1,0.398,30,270,497.522,3.861,7,0.361,0.76,1.0,0.17349736138715646,0.0857463504900281,0.192464532931259,0.24607634843396614,0.1744461483106024
EOS-3-54101,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1)N1CCS(=O)(=O)CC1,WIGLCTYOBZYRLR-UHFFFAOYSA-N,3,1,0.398,63,345,499.503,1.98,5,0.408,0.75,0.962,0.03389075457473785,0.08889041189774519,0.0025529435953670072,0.02087759577821945,0.03655292646151737
EOS-3-54102,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5ccnn5C)n4)n23)nn1,PDRWTGBCTOPURR-UHFFFAOYSA-N,3,1,0.358,53,587,400.406,1.659,5,0.433,0.68,0.898,0.23188095401274758,0.12036529367418272,0.029941402234253994,0.01642279487355219,0.09965261119868413
EOS-3-54103,COc1nn(C)cc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ncn1,SKJYJTAMQBAAPH-UHFFFAOYSA-N,3,1,0.361,33,53,498.507,1.857,6,0.336,0.8,0.779,0.12421184291686656,0.06802138304434241,0.024338633404153244,0.012190734014118292,0.05719064834487012
EOS-3-54104,Cn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)O)cn5)n34)c2)cn1,MGESMEJCLVIMNV-UHFFFAOYSA-N,3,1,0.263,50,859,398.386,2.347,5,0.489,0.78,1.0,0.05309780001370708,0.004317730107600576,0.2927146871359057,0.19107669111095882,0.13530172709204305
EOS-3-54105,Cn1cc(CCOc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)cn1,QHCFRYSOIFKAGH-UHFFFAOYSA-N,3,1,0.543,15,460,400.446,2.547,5,0.435,0.73,1.0,0.3220392707833596,0.21329072716057842,0.27448427112603657,0.202316496470427,0.2530326913851004
EOS-3-54106,OCc1cncc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5)n34)c2)c1F,PEEVYZNOYNJQFK-UHFFFAOYSA-N,3,1,0.293,64,885,493.477,4.748,6,0.37,0.65,0.999,0.3149030224110753,0.4064491810019875,0.8451271331642793,0.869996915907066,0.6091190631211021
EOS-3-54107,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5cncnc5)c4)n23)cc1,IGWILYXLLQPMIT-UHFFFAOYSA-N,3,1,0.528,89,637,497.946,4.373,6,0.355,0.85,1.0,0.652902474127887,0.442618737577959,0.5340021245973545,0.5837074223836611,0.5533076896717154
EOS-3-54108,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nnnn5C)c4)n23)cc1,LGQXWCDIBSYXRU-UHFFFAOYSA-N,3,1,0.568,36,895,399.418,2.264,5,0.443,0.78,1.0,0.46514118292097867,0.2132992940853951,0.15079501062298678,0.13848433966143514,0.24192995682269894
EOS-3-54109,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc(-c2ccc(F)c(F)c2)n1,CERWZWSCHCXRHF-UHFFFAOYSA-N,3,1,0.529,59,13,483.4,5.436,5,0.246,0.66,1.0,0.940014392433692,0.9274124460283737,0.9894198478514152,0.987415187444315,0.961065468439449
EOS-3-54110,Cc1cc(COc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)n(C)n1,HUZRSVRDLWZSCA-UHFFFAOYSA-N,3,1,0.471,36,506,400.446,2.813,5,0.451,0.71,1.0,0.21268247549859504,0.18144746761702418,0.2489891028716332,0.15860804605578782,0.20043177301076007
EOS-3-54111,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5cnnn5C)c4)n23)n(C)n1,FGTPWLBPQQKPLQ-UHFFFAOYSA-N,3,1,0.443,92,662,402.422,1.603,5,0.436,0.58,0.997,0.14595469810156947,0.12037386059899938,0.043314371873072445,0.022453909944486327,0.0830242101295319
EOS-3-54112,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5sncc5C(F)F)n34)cnc2Cl)n1,GBUBMTLPACLSDR-UHFFFAOYSA-N,3,1,0.415,7,552,486.895,4.578,5,0.321,0.53,1.0,0.5957953532999795,0.690579809471592,0.6384158042629018,0.6141799739565486,0.6347427352477555
EOS-3-54113,CCc1cnc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cn1,SGOSQLCNPZUHLH-UHFFFAOYSA-N,3,1,0.449,31,811,399.817,2.953,4,0.46,0.71,1.0,0.6683143718730724,0.6953258858200261,0.3332105407442944,0.36007641696936465,0.5142318038516894
EOS-3-54114,CCn1ncnc1-c1cccc(-c2nnc3cncc(OCc4ncccn4)n23)c1,UTAYNJNCMGFNKH-UHFFFAOYSA-N,3,1,0.427,36,931,399.418,2.439,5,0.428,0.76,1.0,0.26165101775066824,0.14165410184360222,0.04666403947638956,0.03921938181070523,0.12229713522034132
EOS-3-54115,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)cc(Cl)n2)s1,ICONMTHTYVLHNQ-UHFFFAOYSA-N,3,1,0.58,59,97,487.347,5.643,5,0.299,0.73,1.0,0.9429614145706258,0.9436724693304092,0.7999623055308067,0.8427283942156124,0.8823311459118635
EOS-3-54116,Cc1nc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ncn2)ncc1F,LYBBIFZWGKDKFC-UHFFFAOYSA-N,3,1,0.345,33,53,498.482,2.352,6,0.355,0.76,1.0,0.3902491261736687,0.18145603454184087,0.040375916660955385,0.042860324857789046,0.1637353505585635
EOS-3-54117,COCc1ccc(COc2cncc3nnc(-c4ccc(-c5nnc(C)s5)cc4OC)n23)c(F)n1,BXHXCNNSVJAJIB-UHFFFAOYSA-N,3,1,0.424,72,224,493.524,3.886,5,0.297,0.71,1.0,0.5331454321156878,0.4603265711740114,0.34391919676512916,0.19923240353642657,0.3841559008978137
EOS-3-54118,Cc1csc(COc2cncc3nnc(-c4cccc(-c5nccn5C)c4)n23)c1,GXXFIIOZKBGYET-UHFFFAOYSA-N,3,1,0.512,16,921,402.483,4.141,5,0.442,0.7,1.0,0.319760468782126,0.284893084778288,0.38550304982523476,0.29988520320745665,0.32251045164827635
EOS-3-54119,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ncc(-c4cnc(C)nn4)cc3F)n12,LPULVANEKFXRKF-UHFFFAOYSA-N,3,1,0.33,52,295,497.494,3.054,6,0.376,0.73,0.997,0.2803183469261874,0.2953961346035227,0.1296861078747173,0.12962613940100062,0.20875668220135704
EOS-3-54120,Fc1cccnc1-c1nc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)sc1F,YYPHFHLUOKPENR-UHFFFAOYSA-N,3,1,0.44,54,52,492.393,3.976,5,0.34,0.6,0.97,0.5406500582550887,0.6414484956480022,0.7331317250359811,0.6603728325680214,0.6439007778767734
EOS-3-54121,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ncnn5C)cnn4)n23)cn1,PHZGSSXUEJBOPM-UHFFFAOYSA-N,3,1,0.407,92,986,401.394,1.054,5,0.42,0.62,1.0,0.2292423411692139,0.14166266876841888,0.024347200328969913,0.013193064217668426,0.10211131862106777
EOS-3-54122,Cc1cc(-c2nnc3cncc(OCc4cc(F)cc(-c5nnc(Cl)s5)c4)n23)ccc1Cl,BEEIYTCNQXRTFX-UHFFFAOYSA-N,3,1,0.566,43,521,487.347,5.643,5,0.319,0.69,1.0,0.8889126859022686,0.9304365704886574,0.8484339661435131,0.879900280995134,0.8869208758823932
EOS-3-54123,Cn1nc(-c2nnc3cncc(OCCc4ccc(Br)nc4)n23)cc1-c1ccc(F)nc1,LCXSPAKWEMPKPK-UHFFFAOYSA-N,3,1,0.483,95,493,495.316,3.505,5,0.333,0.67,1.0,0.4725430059625797,0.40190014392433693,0.42883455554794053,0.41097251730518813,0.42856255568501134
EOS-3-54124,N#Cc1ccnc(OCc2cncc3nnc(-c4cc(Cl)nc(-c5ccc(F)c(Cl)c5)c4)n23)c1,NWNRNTFNZWMDLC-UHFFFAOYSA-N,3,1,0.396,14,189,492.301,5.145,5,0.313,0.73,1.0,0.7107292166403948,0.8326708244808444,0.9398687547118086,0.9508515523267768,0.8585300870399561
EOS-3-54125,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc(-c2ncnn2C(F)F)c1F,QTQNUEGLJMPVLE-UHFFFAOYSA-N,3,1,0.522,73,526,490.808,4.351,5,0.326,0.55,0.999,0.5984596669179632,0.7378949352340484,0.8906175039407854,0.8870022616681515,0.778493591940237
EOS-3-54126,CNc1cnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1F,JKIJMEJPPFPEKK-UHFFFAOYSA-N,3,1,0.362,70,687,398.405,3.491,5,0.495,0.79,0.977,0.027902474127887055,0.07879000753889384,0.48925707627989856,0.4392776368994586,0.2588067987115345
EOS-3-54127,Clc1ccccc1Oc1cncc2nnc(-c3cccc(-c4cncnc4)c3)n12,UQFWSSZTZIXHHV-UHFFFAOYSA-N,3,1,0.471,13,145,400.829,4.694,5,0.435,0.78,1.0,0.6097423069015147,0.7238451785347132,0.8266311424850935,0.8567010485915976,0.7542299191282297
EOS-3-54128,N#Cc1c(F)cncc1COc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,AIEJUDQFJJNTNI-UHFFFAOYSA-N,3,1,0.613,90,255,398.76,3.569,4,0.522,0.77,1.0,0.9698358577205126,0.9749503118360633,0.9614574052498115,0.9645843328078952,0.9677069769035707
EOS-3-54129,Clc1cc(-c2nnc3cncc(OCc4cc(-c5ncccn5)cnn4)n23)ccc1-c1ncccn1,HIAYFJKMCMDEAS-UHFFFAOYSA-N,3,1,0.5,40,608,494.906,3.728,6,0.337,0.62,1.0,0.6590363922966213,0.8019926667123569,0.32197930230964295,0.35045576040024673,0.533366030429717
EOS-3-54130,O=C(c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)nc1)N1CCOCC1,BQJWKGWXOSQWNO-UHFFFAOYSA-N,3,1,0.557,63,683,499.358,3.587,5,0.4,0.8,1.0,0.2073367144129943,0.08889897882256186,0.05183846206565691,0.23161537934343088,0.14492238366116098
EOS-3-54131,Fc1cccc(-c2nnc3cncc(OCc4ccnc(-c5cccnc5)n4)n23)c1,IXFPDGUGNMUBNY-UHFFFAOYSA-N,3,1,0.612,97,539,399.389,3.361,5,0.447,0.76,1.0,0.5782931258995271,0.6563977794530875,0.49587074223836614,0.5051144541155507,0.5589190254266329
EOS-3-54132,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cnc1OC,DSSZCXMWRVKZLM-UHFFFAOYSA-N,3,1,0.51,26,328,493.93,4.492,5,0.314,0.7,1.0,0.49992289767665,0.5143238982934686,0.6262936056473168,0.554879720375574,0.5488550304982523
EOS-3-54133,Fc1cc(Cc2nnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)s2)cc(F)c1F,KABWZUPUFCFDNW-UHFFFAOYSA-N,3,1,0.461,59,607,489.87,4.278,5,0.26,0.71,1.0,0.6267305188129669,0.8136094167637585,0.7070797066684943,0.7928431910081557,0.7350657083133438
EOS-3-54134,Fc1cnc(-c2ccon2)cc1COc1cncc2nnc(-c3ccc(-c4nncs4)c(F)n3)n12,DNEUFKAMMMPKTE-UHFFFAOYSA-N,3,1,0.381,6,826,491.443,3.612,6,0.319,0.54,0.99,0.5727674593927764,0.5143324652182852,0.370331025974916,0.37643067644438355,0.4584654067575903
EOS-3-54135,Cc1ccnc(-c2ncc(-c3cncc4nnc(-c5ccc(C(N)=O)cn5)n34)o2)n1,JOHSLUMTIHIHCX-UHFFFAOYSA-N,3,1,0.309,33,432,399.374,1.706,5,0.476,0.69,0.999,0.1327702008087177,0.05650743609074087,0.03487595092865465,0.017656432047152355,0.0604525049688164
EOS-3-54136,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5noc(C)n5)nc4)n23)cn1,DAUAAQBMXHALIG-UHFFFAOYSA-N,3,1,0.595,7,205,400.402,2.827,5,0.439,0.75,1.0,0.43030806661640736,0.3207627989856761,0.12669625111370023,0.08173702967582756,0.2398760365979028
EOS-3-54137,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)c2)nn1,JCPLNLIJAUOTAZ-UHFFFAOYSA-N,3,1,0.409,36,404,400.406,1.659,5,0.433,0.69,1.0,0.25108799945171684,0.16069837571105475,0.037471729148104996,0.025889246795970117,0.11878683777671167
EOS-3-54138,Cc1ccc(COc2cncc3nnc(-c4cncnc4-c4nccn4C)n23)nc1,MARFZPRYKMOVID-UHFFFAOYSA-N,3,1,0.452,7,85,399.418,2.264,5,0.443,0.74,1.0,0.2939911589335892,0.1380131587965184,0.08769104242341169,0.06213590569529162,0.1454578164622027
EOS-3-54139,O=C(c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(Cl)nn5)n4)n23)cc1)N1CCOCC1,PZLAPAWJTKEBKN-UHFFFAOYSA-N,3,1,0.471,52,229,499.922,2.831,6,0.367,0.84,1.0,0.06944349256390926,0.05651600301555754,0.006947776026317593,0.028750599684737168,0.04041446782263039
EOS-3-54140,Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)c(C)n4)n23)ccc1Cl,QRIQDQVAENOEGV-UHFFFAOYSA-N,3,1,0.557,90,708,400.269,4.689,4,0.497,0.8,1.0,0.7168974025083956,0.8464207388115962,0.8356521143170448,0.854987663628264,0.8134894798163251
EOS-3-54141,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6cncnc6)n5)n34)cc2)nc1,QFGSSPSTDYUUKK-UHFFFAOYSA-N,3,1,0.484,40,868,495.453,3.958,6,0.338,0.66,1.0,0.7588153656363512,0.7055033925022274,0.6087399766979645,0.5710026728805428,0.6610153519292715
EOS-3-54142,Cc1cc(COc2cncc3nnc(-c4cccc(-c5cnnn5C)c4)n23)n(C)n1,JXLIEEJRIHDVJK-UHFFFAOYSA-N,3,1,0.44,36,662,401.434,2.208,5,0.445,0.62,1.0,0.19619971215132617,0.15695462956617093,0.10718936330614763,0.06702761976560893,0.1318428311973134
EOS-3-54143,Fc1cc(-c2cncc(-c3nnc4cncc(Oc5cccnc5Cl)n34)c2)cc(C(F)(F)F)n1,WTIXQUJFWYVYOI-UHFFFAOYSA-N,3,1,0.394,13,995,487.804,5.247,5,0.253,0.7,1.0,0.8627321636625317,0.9164382153382222,0.9842968268110479,0.9645928997327119,0.9320150263861284
EOS-3-54144,CCc1ncc(-c2nnc3cncc(-c4cc(-c5cn(C)cn5)ccc4F)n23)cn1,OBMRGEUVVWVNTN-UHFFFAOYSA-N,3,1,0.312,50,478,400.421,3.35,5,0.46,0.74,1.0,0.25352100609965045,0.31563977794530873,0.3743146460146666,0.36353745459529846,0.32675322116373107
EOS-3-54145,Clc1nc(-c2ccncc2)cnc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,HZXUOXNXDWRUJM-UHFFFAOYSA-N,3,1,0.517,28,120,492.93,4.938,6,0.322,0.67,1.0,0.662394626824755,0.7146871359056953,0.5441196628058392,0.5742067027619766,0.6238520320745666
EOS-3-54146,Cc1nnc(-c2ccc(-c3nnc4cncc(COc5ccccc5)n34)cc2)s1,MDUKBBQSSOQUOY-UHFFFAOYSA-N,3,1,0.452,1,18,400.467,4.197,5,0.44,0.79,1.0,0.2912754437667055,0.28490165170310466,0.29997943938043997,0.29076142827770546,0.29172949078198895
EOS-3-54147,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5cnncn5)c4)n23)c1,OOMSBZHHCZELPN-UHFFFAOYSA-N,3,1,0.585,43,521,399.389,3.361,5,0.447,0.76,1.0,0.8350352957302447,0.7191505037351792,0.7226543759851963,0.7146785689808787,0.7478796861078747
EOS-3-54148,CCn1c(Oc2ncnc(-c3cccc(F)c3)n2)ccc1-c1cncc2nnc(-c3ccc(C)nc3)n12,WECDDRGWXBWRJE-UHFFFAOYSA-N,3,1,0.33,10,693,493.506,4.767,6,0.327,0.73,1.0,0.39236515660338567,0.4691590706599959,0.37033959289973273,0.3063703652936742,0.3845585463641972
EOS-3-54149,Cc1ncc(-c2cnnc(COc3cncc4nnc(-c5cnccn5)n34)c2)n1C,XOZAUEIJYFCOEJ-UHFFFAOYSA-N,3,1,0.37,92,828,400.406,1.659,5,0.433,0.68,1.0,0.19332122541292576,0.09814269069974642,0.0634209444177918,0.037874374614488386,0.09818980878623809
EOS-3-54150,Cc1nc(-c2nnc3cncc(OCc4ccn(C)n4)n23)ncc1-c1cncn1C,UYVULKBMCBAJGV-UHFFFAOYSA-N,3,1,0.362,92,105,402.422,1.603,5,0.436,0.57,1.0,0.09116064697416215,0.0753375368377767,0.031037968610787472,0.01407545747378521,0.05290290247412789
EOS-3-54151,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)n[nH]4)n23)ccn1,WBVIGXHJWBWRDL-UHFFFAOYSA-N,3,1,0.462,35,963,402.393,2.732,5,0.435,0.62,1.0,0.5381570831334385,0.46033513809882803,0.4509029538756768,0.430008224247824,0.4698508498389418
EOS-3-54152,COc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4C)n23)cc1F,GLMFAHAGJWJTLJ-UHFFFAOYSA-N,3,1,0.561,90,555,399.813,3.875,4,0.474,0.72,1.0,0.9408025495168254,0.8214310191213762,0.8230758686861764,0.7361558494962648,0.8303663217051607
EOS-3-54153,Cc1ncc(-c2cccc(-c3nnc4cncc(Oc5ccccc5F)n34)c2)nn1,IYOZVWAXRHTHQZ-UHFFFAOYSA-N,3,1,0.461,13,374,399.389,3.883,5,0.453,0.79,1.0,0.6382016311424851,0.6613837296963881,0.5708313343842094,0.5677986429991091,0.609553834555548
EOS-3-54154,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(OC)c1,XHNGXASLAYDNDG-UHFFFAOYSA-N,3,1,0.6,26,781,492.942,5.097,5,0.3,0.76,1.0,0.770449249537386,0.6135117538208484,0.8230844356109931,0.7412531697621821,0.7370746521828524
EOS-3-54155,CCc1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnnn6C)cn5)n34)cn2)cc1Cl,NCJKSVMEJWCSEN-UHFFFAOYSA-N,3,1,0.33,70,968,494.95,4.322,6,0.348,0.7,0.995,0.10575011993694744,0.21823384277979577,0.3366201768213282,0.36008498389418137,0.2551722808580632
EOS-3-54156,Cc1coc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)n1,UJZJLPSZYNALJK-UHFFFAOYSA-N,3,1,0.5,65,658,400.402,2.561,5,0.424,0.73,1.0,0.4512970324172435,0.33452984716606127,0.08769960934822836,0.0607823315742581,0.2335772051264478
EOS-3-54157,CCc1nccnc1-c1cncc2nnc(-c3nncnc3-c3ccc(F)cc3)n12,DDXRFYBBQLFIDJ-UHFFFAOYSA-N,3,1,0.31,50,356,399.393,2.802,5,0.454,0.75,0.995,0.24019943800973204,0.2641525597971352,0.0901925844698787,0.17725824138167365,0.1929507059146049
EOS-3-54158,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4F)n23)cn1,LRQDMKHOWMJPCU-UHFFFAOYSA-N,3,1,0.446,90,225,396.813,2.929,4,0.573,0.81,1.0,0.314911589335892,0.3874905763827017,0.5802892193818107,0.5867572476183949,0.4673621581796998
EOS-3-54159,Cc1nn(C)cc1-c1cc(CO)cc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4)n23)c1,AKTHRWWPFIDHHE-UHFFFAOYSA-N,3,1,0.5,27,51,495.465,3.985,5,0.38,0.7,1.0,0.489813926392982,0.42935713796175723,0.9433640600370091,0.8060105544513742,0.6671364197107806
EOS-3-54160,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)c[nH]4)n23)cn1,SDPLMTKYPUANLL-UHFFFAOYSA-N,3,1,0.446,35,234,401.405,3.337,5,0.439,0.69,1.0,0.49234973613871563,0.38749914330751833,0.6384243711877184,0.6141885408813652,0.5331154478788294
EOS-3-54161,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cc(CO)ccc5Cl)n4)n23)cc1,YQXROVOGYNFXPH-UHFFFAOYSA-N,3,1,0.336,29,704,498.934,3.348,6,0.364,0.87,1.0,0.33241381673634435,0.29540470152833936,0.252707148242067,0.3439962990884792,0.30613049139880744
EOS-3-54162,COc1c(Cl)cccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)ncn1,GUCIHNCAMRTYJX-UHFFFAOYSA-N,3,1,0.35,32,20,492.93,5.034,6,0.33,0.67,1.0,0.4232746213419231,0.41139229662120486,0.6668579946542389,0.6490730587348366,0.5376494928380509
EOS-3-54163,Fc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(OC(F)(F)F)c5)n34)ccn2)ccn1,GMAWRQAOYXSNSZ-UHFFFAOYSA-N,3,1,0.489,13,284,486.36,5.217,5,0.249,0.68,1.0,0.9429699814954424,0.9351997806867247,0.9922726338153657,0.9824720718250977,0.9632286169556576
EOS-3-54164,Clc1ccc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccncc6)cc5)n34)c2)nn1,AQHDGZJVFHHFDW-UHFFFAOYSA-N,3,1,0.523,12,492,491.942,5.543,6,0.302,0.75,1.0,0.787600233020355,0.7896048934274553,0.8192635871427593,0.8188952093756425,0.803840980741553
EOS-3-54165,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cocn5)ccc4F)n23)nc1,KVRDZCSDXAKUMT-UHFFFAOYSA-N,3,1,0.448,44,348,402.389,3.868,5,0.441,0.63,1.0,0.7261068466863135,0.5465012679048729,0.6832550887533411,0.6228240010965663,0.6446718011102734
EOS-3-54166,COc1ncc(-c2cncc(Cl)n2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,IFUYAQUBHJPWLH-UHFFFAOYSA-N,3,1,0.348,52,582,498.934,3.865,6,0.374,0.85,1.0,0.32721369337262696,0.24902337057089988,0.23119560002741416,0.25520869028853405,0.26566033856486876
EOS-3-54167,Fc1ccc(C(F)(F)F)c(F)c1COc1cncc2nnc(-c3cc(-c4csnn4)ccn3)n12,IMYLQNPDLHUBEY-UHFFFAOYSA-N,3,1,0.404,46,51,491.405,4.581,5,0.333,0.58,1.0,0.502347337399767,0.5371461860050716,0.9793622781166472,0.9561373449386609,0.7437482866150367
EOS-3-54168,COc1ccc(-c2cnc(-c3cncc4nnc(-c5nccnc5-c5c(F)cccc5F)n34)cn2)cc1,QLXYYJISLCLJMC-UHFFFAOYSA-N,3,1,0.361,64,449,494.465,4.659,6,0.341,0.65,1.0,0.405069906106504,0.47810294016859706,0.6668665615790556,0.6719553149201563,0.5554986806935782
EOS-3-54169,Cc1ccc(-c2nnc3cncc(-c4nc(C)nc(C5=CCN(C)CC5)n4)n23)cn1,DGPYPGAZTHQDQS-UHFFFAOYSA-N,3,1,0.326,78,66,399.462,2.374,5,0.518,0.74,1.0,0.13277876773353436,0.022025563703652936,0.002433006647933658,0.0015763141662668769,0.039703413062846964
EOS-3-54170,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5cccc(F)c5)n34)nc2)nn1,PHQRXPPGFBWBCT-UHFFFAOYSA-N,3,1,0.461,72,412,399.389,3.883,5,0.453,0.78,1.0,0.5613734493866082,0.6270560619560003,0.5802977863066274,0.5383626893290384,0.5767724967445685
EOS-3-54171,O=C(c1ccc(-c2nnc3cncc(-c4cnc(-c5c(F)cccc5F)cn4)n23)cc1)N1CCOCC1,BWJQEHOLSRCYMV-UHFFFAOYSA-N,3,1,0.51,52,229,499.481,3.666,6,0.372,0.84,1.0,0.12696182578301693,0.07879857446371051,0.13259029538756767,0.3095829620999246,0.1619834144335549
EOS-3-54172,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)cc1,XMJJINZXMKUGHE-UHFFFAOYSA-N,3,1,0.295,30,93,495.51,3.953,7,0.349,0.64,1.0,0.05310636693852375,0.06439757384689192,0.22369097388801315,0.27896477280515386,0.15503992186964566
EOS-3-54173,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)n1,OVTKWNOIEVXSFG-UHFFFAOYSA-N,3,1,0.512,2,131,400.377,2.756,5,0.415,0.71,1.0,0.5485401960112398,0.5234733739976698,0.37432321293948323,0.3504643273250634,0.44920027756836406
EOS-3-54174,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1,UREBDTDOZWZFRQ-UHFFFAOYSA-N,3,1,0.488,24,786,399.389,3.361,5,0.447,0.77,1.0,0.8423086148995956,0.7238537454595299,0.5803063532314441,0.5548882873003906,0.67533925022274
EOS-3-54175,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nn[nH]n5)nc4)n23)cc1,RCZBHETZLITDLV-UHFFFAOYSA-N,3,1,0.333,74,333,398.39,1.393,5,0.463,0.83,1.0,0.17350592831197315,0.09511856623946269,0.1185062709889658,0.07453224590500994,0.11541575286135289
EOS-3-54176,Fc1cc(-c2nnc3cncc(OCc4ncc(-c5cccnc5F)cn4)n23)cnc1-c1cccnc1,MOQOKJLSDHLQBP-UHFFFAOYSA-N,3,1,0.426,80,518,495.453,3.958,6,0.317,0.72,1.0,0.7733106024261531,0.7331317250359811,0.589849907477212,0.5772736618463437,0.6683914741964225
EOS-3-54177,COc1cccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)c(Cl)c5)c4)n23)n1,SDBZTUFAXCOYBJ-UHFFFAOYSA-N,3,1,0.516,11,275,493.354,5.185,5,0.309,0.77,1.0,0.8492820917003633,0.7684188883558358,0.7593122472757179,0.7515334795421835,0.782136676718525
EOS-3-54178,Cc1nn(C)cc1-c1cc(-c2nnc3cncc(Cc4ccccc4F)n23)ccn1,VDCBXDDHCDHDEG-UHFFFAOYSA-N,3,1,0.438,14,81,399.433,3.625,5,0.461,0.78,1.0,0.2428466177780824,0.2084332807895278,0.5273284901651704,0.5152576930984853,0.3734665204578165
EOS-3-54179,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)nc(C3CCNC3)n2)cn1,XGRMUFSECDTLRD-UHFFFAOYSA-N,3,1,0.369,31,105,493.984,3.353,6,0.383,0.56,0.998,0.11621033513809882,0.056524569940374206,0.02768830100747036,0.0670361866904256,0.06686484819409225
EOS-3-54180,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ncn2)nc1,WYJUIULMABFANI-UHFFFAOYSA-N,3,1,0.437,46,395,402.443,2.987,5,0.442,0.59,0.998,0.37179597011856624,0.1944349256390926,0.13259886231238435,0.11175553423343157,0.2026463230758687
EOS-3-54181,Fc1cc(-c2cncnc2)ccc1-c1nnc2cncc(OCc3ccc(F)c(-c4cncnc4)n3)n12,KXZRAAJVGKDUFJ-UHFFFAOYSA-N,3,1,0.473,94,868,495.453,3.958,6,0.338,0.67,0.996,0.6410544171064355,0.7510622986772668,0.7303817421698308,0.7033959289973272,0.706473596737715
EOS-3-54182,Fc1ccc(CCc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1Cl,WPVVQMGOGVWNPE-UHFFFAOYSA-N,3,1,0.588,23,225,402.807,5.307,4,0.454,0.75,1.0,0.8043400041121239,0.9503975053114934,0.990148036460832,0.9937804125830991,0.934666489616887
EOS-3-54183,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3ccon3)n12,QCXDQLMKLZJEHQ-UHFFFAOYSA-N,3,1,0.625,1,848,401.401,4.207,5,0.424,0.75,1.0,0.7619251593448015,0.7424868069357823,0.6617606743883215,0.6979216640394764,0.7160235761770953
EOS-3-54184,Cc1ncc(-c2nnc3cncc(OCc4cccc(-c5cn(C)nn5)c4)n23)cn1,RYLHZIBWCTWTKL-UHFFFAOYSA-N,3,1,0.471,92,986,399.418,2.264,5,0.443,0.77,1.0,0.29128401069152215,0.189937290110342,0.1825954355424577,0.12757007744500035,0.19784670344733055
EOS-3-54185,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCc5cncc(CC(F)F)n5)n34)ccc2F)n1,IIWZKNNBNHKAAR-UHFFFAOYSA-N,3,1,0.478,20,279,493.453,3.31,5,0.321,0.56,0.842,0.7932544033993557,0.8788722500171339,0.44011719553149203,0.42065314234802276,0.6332242478240011
EOS-3-54186,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)c(F)c2)cc1=O,MLIPLFFIJJGTRQ-UHFFFAOYSA-N,3,1,0.511,37,265,495.877,3.5,5,0.355,0.64,1.0,0.67451682544034,0.6270646288808169,0.7689157699952025,0.7764460969090535,0.7117358303063532
EOS-3-54187,Cc1ccc(-c2nc(C)c(F)cc2-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cn1,HHTNJGPYWLHHAY-UHFFFAOYSA-N,3,1,0.303,32,572,492.493,5.267,6,0.331,0.67,1.0,0.33725412925776166,0.42494517168117335,0.6940579809471592,0.6690254266328559,0.5313206771297375
EOS-3-54188,CCc1cc(-c2nnc3cncc(-c4ccc(Cl)c(Cl)c4)n23)cc(CF)n1,LOPZYSAYOPTTJH-UHFFFAOYSA-N,3,1,0.348,90,861,402.26,5.192,4,0.471,0.79,1.0,0.4580049345486944,0.5796552669453773,0.8667243506270988,0.912009115208005,0.7040984168322939
EOS-3-54189,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccn(C)n5)cc4F)n23)cn1,JWKZJDFYZRGBSI-UHFFFAOYSA-N,3,1,0.361,14,81,399.433,3.625,5,0.461,0.76,1.0,0.21004386265506134,0.2954132684531561,0.6475310122678364,0.5837159893084778,0.4341760331711329
EOS-3-54190,Cn1cc(C#N)nc1-c1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)cc1Cl,KIMCZDMQIKDURV-UHFFFAOYSA-N,3,1,0.5,73,980,495.305,4.483,5,0.354,0.7,1.0,0.82532896991296,0.8359348228359947,0.8503101226783634,0.8756510862860668,0.8468062504283462
EOS-3-54191,Cc1nc(-c2nnnn2C)cc(-c2cncc3nnc(-c4ccc(-c5nc(C6CC6)ns5)cc4)n23)n1,KPOUTEYHOOYAIB-UHFFFAOYSA-N,3,1,0.277,98,882,494.548,3.143,7,0.351,0.59,1.0,0.0454818038516894,0.060396819957508056,0.002998423685833733,0.004609005551367281,0.02837151326159962
EOS-3-54192,Clc1cnc(-c2cncnc2)cc1COc1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,HJBNOOVQHWXBRU-UHFFFAOYSA-N,3,1,0.506,41,78,492.93,4.938,6,0.322,0.65,1.0,0.8326965252552944,0.8395243643341787,0.7869577136591049,0.7764546638338702,0.808908316770612
EOS-3-54193,CCn1nc(C)c(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)nc4OC)n23)c1Cl,PSTGAVSXDBWHRD-UHFFFAOYSA-N,3,1,0.444,31,456,493.959,3.395,5,0.323,0.62,0.996,0.27459564114865326,0.34462168460009596,0.03488451785347132,0.0267459392776369,0.17021194571996437
EOS-3-54194,CCOc1ncccc1-c1nnc2cncc(-c3ccc(-c4nnn(C)n4)nc3)n12,BHQGXKPDGADYJE-UHFFFAOYSA-N,3,1,0.302,50,974,400.406,1.838,5,0.435,0.7,0.999,0.18220992392570762,0.10449934891371393,0.0254951682544034,0.01586594476046878,0.08201759646357343
EOS-3-54195,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(C)o5)nc4)n23)cn1,HGVYLMXVKKRHRJ-UHFFFAOYSA-N,3,1,0.61,55,205,399.414,3.432,5,0.443,0.8,1.0,0.47255157288739635,0.3104567884312247,0.32928688917826054,0.20232506339524364,0.32865507847303127
EOS-3-54196,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(C)o5)n34)ccn2)cn1,OWHAFKDNGCPSGF-UHFFFAOYSA-N,3,1,0.575,7,441,400.402,2.827,5,0.439,0.71,1.0,0.4232831882667398,0.2333972997052978,0.18260400246727435,0.0987595092865465,0.23451099993146463
EOS-3-54197,CCc1nn(CC)cc1Oc1cncc2nnc(-c3ccc(-c4cnco4)cc3)n12,LETYYRKDNAMMBV-UHFFFAOYSA-N,3,1,0.446,15,519,401.43,4.017,5,0.424,0.74,1.0,0.27725995476663695,0.23340586663011445,0.147642382290453,0.10934822835994791,0.1919141080117881
EOS-3-54198,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccccc5Cl)n34)cn2)cn1,QLDFHZCIKBZJJY-UHFFFAOYSA-N,3,1,0.394,96,478,399.845,4.272,5,0.45,0.78,1.0,0.2182509766294291,0.387507710232335,0.5836474539099444,0.6547015283393873,0.46102691727777395
EOS-3-54199,Cc1ccc(-c2nnc3cncc(OCc4nccc(-c5noc(C)n5)n4)n23)cc1,BHVVHSKRQDUTQP-UHFFFAOYSA-N,3,1,0.483,89,731,400.402,2.827,5,0.439,0.73,1.0,0.4651497498457954,0.38290727160578436,0.06524569940374203,0.05212973750942362,0.24135811459118633
EOS-3-54200,CCn1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ncnn6C)cc5)n34)ccc2F)cn1,VWTVGAQYCNSDCL-UHFFFAOYSA-N,3,1,0.473,56,415,496.51,3.583,6,0.33,0.73,1.0,0.41403090946473853,0.4472705777534096,0.25596257967240077,0.2023336303200603,0.3298994243026523
EOS-3-54201,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)no1,FGJFRGCGQDCPHE-UHFFFAOYSA-N,3,1,0.461,65,822,401.39,1.956,5,0.416,0.68,1.0,0.39879891714070315,0.22360530463984649,0.04184086080460558,0.032631416626687684,0.17421912480296073
EOS-3-54202,Cn1nnnc1-c1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC5CCOC5)cc4)n23)cn1,LSFYKKWUMPJBRL-UHFFFAOYSA-N,3,1,0.465,89,512,498.507,1.474,6,0.35,0.76,1.0,0.3017356589678569,0.0068535398533342475,0.027696867932287025,0.02498115276540333,0.09031680487972038
EOS-3-54203,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5c(F)cccc5F)nc4Cl)n23)c1F,HMGTXGQOKVQEIO-UHFFFAOYSA-N,3,1,0.471,59,671,486.816,5.037,5,0.256,0.63,1.0,0.9254077856212733,0.9181944349256391,0.9681824412308958,0.9747190048660133,0.9466259166609554
EOS-3-54204,COCc1cccc(Sc2ncnc(COc3cncc4nnc(-c5ccccc5)n34)c2Cl)c1,HGQKRBZYDCINST-UHFFFAOYSA-N,3,1,0.495,1,881,490.976,5.111,5,0.277,0.74,1.0,0.7231940922486464,0.714695702830512,0.644626824754986,0.6404547323692688,0.6807428380508532
EOS-3-54205,Cc1nnc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)o1,IYMGXLNWYNTTOK-UHFFFAOYSA-N,3,1,0.524,65,142,400.402,2.561,5,0.424,0.73,1.0,0.46515831677061203,0.23885443081351518,0.12670481803851688,0.10285449934891372,0.23339301624288944
EOS-3-54206,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5ncnn5C)ccn4)n23)cn1,OFQDXEBDPFBJGR-UHFFFAOYSA-N,3,1,0.488,92,185,400.406,1.659,5,0.433,0.66,1.0,0.2642896305942019,0.14925296415598657,0.05943732437804126,0.032639983551504353,0.12640497566993353
EOS-3-54207,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnccn5)n34)cnn2)nn1,PIJZUOGDAHXANZ-UHFFFAOYSA-N,3,1,0.438,53,875,402.353,1.546,5,0.427,0.53,1.0,0.4972243163593996,0.4868240696319649,0.1568346926187376,0.16367966554725516,0.3261406860393393
EOS-3-54208,Cc1nnc(-c2ccc(-c3nnc4cncc(C(F)c5ccc(Cl)nc5)n34)c(F)c2)cc1Cl,BXPXKNTYROPSKF-UHFFFAOYSA-N,3,1,0.333,14,487,484.297,5.457,5,0.316,0.49,1.0,0.332422383661161,0.532442944280721,0.957962099924611,0.9640531834692618,0.6967201528339387
EOS-3-54209,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6nccnn6)n5)n34)ncn2)nc1,LYUJAHLPPPCHEI-UHFFFAOYSA-N,3,1,0.386,6,726,495.894,3.123,6,0.336,0.61,0.908,0.45801350147351105,0.46916763758481256,0.1793657048865739,0.21985299157014598,0.33159995887876087
EOS-3-54210,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nnc(C(F)(F)F)s5)n34)cc2F)s1,RZQJRJHKGVLLOG-UHFFFAOYSA-N,3,1,0.5,36,52,494.459,4.207,5,0.335,0.7,1.0,0.6590449592214379,0.789613460352272,0.46861935439654584,0.3764392433692002,0.573429254334864
EOS-3-54211,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnn(C5CC5)c4)n23)nc1,VNWWXUFMAYHXDS-UHFFFAOYSA-N,3,1,0.277,50,489,399.393,2.981,6,0.458,0.77,0.996,0.10052429579878007,0.20844184771434446,0.09233431567404564,0.23753512439174834,0.15970889589472964
EOS-3-54212,COc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(OCCc3ncc(C)nc3Cl)n12,QWAZQZVQSFYXFN-UHFFFAOYSA-N,3,1,0.484,11,710,491.914,4.374,5,0.331,0.56,1.0,0.7293365773421973,0.6905883763964088,0.3439277636899459,0.36678431910081555,0.5326592591323418
EOS-3-54213,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)ccn2)c(C)nc1Cl,AVLCIAQDSCDVOG-UHFFFAOYSA-N,3,1,0.442,75,606,493.358,4.849,5,0.342,0.67,1.0,0.6070694263587143,0.5796638338701939,0.36650161058186553,0.3892639298197519,0.4856247001576314
EOS-3-54214,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncnn5C)cc4)n23)cn1,XPPLHRFKPKVYPH-UHFFFAOYSA-N,3,1,0.57,89,250,398.43,2.869,5,0.449,0.85,1.0,0.40507847303132066,0.23886299773833186,0.29272325406072236,0.21135460215201152,0.28700483174559654
EOS-3-54215,Fc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,XAJPWXHAXGGAHY-UHFFFAOYSA-N,3,1,0.411,83,950,484.897,6.447,6,0.312,0.82,1.0,0.36041909396203137,0.7100438626550614,0.9398773216366253,0.9710095264203962,0.7453374511685286
EOS-3-54216,Cn1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc(-c2cc(F)ccc2F)c1=O,HZRVMXUDJCXQIB-UHFFFAOYSA-N,3,1,0.63,88,222,493.901,4.71,5,0.342,0.65,1.0,0.6590535261462546,0.5465098348296895,0.9124031937495717,0.9299910903981906,0.7619894112809266
EOS-3-54217,CCc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncco6)cc5)n34)s2)nc(Cl)n1,UCSRLSVWCSVGLE-UHFFFAOYSA-N,3,1,0.302,38,126,485.96,5.848,6,0.283,0.7,0.999,0.24285518470289905,0.42495373860599,0.4037420327599205,0.407622849701871,0.3697934514426702
EOS-3-54218,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(Br)cc4F)n23)cc1F,RAKDKTHNAUEXJU-UHFFFAOYSA-N,3,1,0.54,23,721,500.303,4.303,5,0.427,0.87,1.0,0.7293451442670139,0.5008823932561168,0.7251987526557467,0.788217051607155,0.6859108354465081
EOS-3-54219,c1cncc(CCOc2cncc3nnc(-c4cc(-c5ccsc5)cnn4)n23)c1,UHDSNMOSWZDLQH-UHFFFAOYSA-N,3,1,0.5,18,466,401.455,3.326,5,0.431,0.64,1.0,0.45130559934206016,0.27968439448975396,0.2781594818723871,0.29379411966280583,0.32573589884175175
EOS-3-54220,CCCn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnccn4)n23)cc1F,JNPULMFAMVUGJT-UHFFFAOYSA-N,3,1,0.333,50,974,401.409,3.056,5,0.446,0.68,1.0,0.22925090809403056,0.26943835240901925,0.10719793023096429,0.16642964841340552,0.1930792097868549
EOS-3-54222,COc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cnc2OC)nc1,MNPLHKSYIMVNIT-UHFFFAOYSA-N,3,1,0.416,55,879,493.886,4.032,5,0.31,0.66,1.0,0.7960557878144061,0.6905969433212255,0.6859622369954081,0.5249982866150367,0.6744033136865191
EOS-3-54223,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc(-c2cc(F)cnn2)c1,BDAJXVLAGDIVOX-UHFFFAOYSA-N,3,1,0.529,34,146,485.281,5.412,5,0.331,0.5,1.0,0.9266671235693236,0.970289904735796,0.9626225070248784,0.9775974916044137,0.9592942567336029
EOS-3-54224,Fc1cccc(OCc2cncc3nnc(-c4cccc(-c5cnccn5)c4)n23)c1,DXEOBDIAHYIPLG-UHFFFAOYSA-N,3,1,0.432,14,18,398.401,3.966,5,0.446,0.87,1.0,0.512404907134535,0.5990507847303133,0.7570163114248509,0.7540178877390172,0.6556224727571791
EOS-3-54225,O=C(c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cn4)n23)cc1)N1CCCC(F)(F)C1,GQAUNHYCZOTXFP-UHFFFAOYSA-N,3,1,0.361,52,376,497.509,4.787,6,0.355,0.83,1.0,0.12697039270783358,0.12409190596943322,0.19247309985607566,0.38576862449455146,0.20732600575697346
EOS-3-54226,Cc1nocc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)c(Cl)cn1,IJWPUMBLCRCCQO-UHFFFAOYSA-N,3,1,0.483,59,109,486.841,5.459,5,0.315,0.62,1.0,0.8069614831060242,0.8395329312589953,0.9537129052155439,0.939551778493592,0.8849397745185389
EOS-3-54227,Cn1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4Cl)n23)cc(-c2cccnc2)c1=O,VDKQPZQPJXDVMC-UHFFFAOYSA-N,3,1,0.474,35,76,494.342,3.875,5,0.331,0.63,1.0,0.4118292097868549,0.3493763278733466,0.6207593722157494,0.6838804742649579,0.5164613460352272
EOS-3-54228,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccccc5)n34)ncn2)cn1,OQDIARXNAQRBQW-UHFFFAOYSA-N,3,1,0.489,4,354,400.377,2.756,5,0.444,0.65,1.0,0.6321790829963676,0.6466143513124529,0.3589798505928312,0.35047289424988004,0.49706154478788295
EOS-3-54229,Fc1cc(-c2nc3ccccc3s2)ccc1Oc1cncc2nnc(-c3ccccc3Cl)n12,HJLZPTTZWHNABU-UHFFFAOYSA-N,3,1,0.424,83,480,473.92,6.653,6,0.286,0.8,1.0,0.7790675759029538,0.8760794325269001,0.865173737235282,0.905172709204304,0.8563733637173601
EOS-3-54230,CC12CCC=C(C1)N(C(=O)c1ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cn1)C2,AJZQHYXPPWQJOZ-UHFFFAOYSA-N,3,1,0.404,0,169,474.927,5.176,6,0.409,0.47,1.0,0.2208039202247961,0.3637173600164485,0.0652542663285587,0.34720889589472964,0.24924611061613322
EOS-3-54231,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(-c6ccnc(F)c6)c(F)c5)n34)cn2)nn1,YESPPCGNAHSPTF-UHFFFAOYSA-N,3,1,0.339,14,81,493.481,4.278,6,0.328,0.59,1.0,0.39880748406551986,0.464772805153862,0.6116612980604482,0.6228325680213831,0.5245185388253033
EOS-3-54232,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(-c5ccccc5F)ncn4)n23)cn1,DNEMMJGDQOMUKC-UHFFFAOYSA-N,3,1,0.469,28,414,493.506,3.804,6,0.33,0.56,1.0,0.7046467000205606,0.589875608251662,0.3665101775066822,0.35048146117469675,0.5028784867384004
EOS-3-54233,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5nnnn5C)c4)n23)ccn1,PHLWQJAHKOLMFI-UHFFFAOYSA-N,3,1,0.529,92,728,400.406,1.659,5,0.433,0.69,1.0,0.3045027756836406,0.1045079158385306,0.07594578849976012,0.05923171818244123,0.13604704955109315
EOS-3-54234,FC(F)c1ccc(-c2nnc3cncc(CCc4ccc(C(F)F)nc4)n23)cc1,WOPHOMGKOCPXQN-UHFFFAOYSA-N,3,1,0.467,66,225,401.367,4.847,4,0.434,0.78,0.999,0.5536717839764238,0.6320591460489343,0.9782400109656638,0.9634192310328284,0.7818475430059626
EOS-3-54235,Cn1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc(-c2cccc(F)c2)c1=O,KPNQKAUWTQBYEF-UHFFFAOYSA-N,3,1,0.474,37,132,495.877,3.5,5,0.355,0.65,1.0,0.4163354122404222,0.4159841683229388,0.6147710917688987,0.6979302309642931,0.5362552258241382
EOS-3-54236,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)cn1,NFPSDWARNNILIA-UHFFFAOYSA-N,3,1,0.525,97,744,399.389,3.361,5,0.447,0.73,1.0,0.6896117469673086,0.7005003084092934,0.6293177301076006,0.601715098348297,0.6552862209581249
EOS-3-54237,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cnc1OC,HHSRJEPMMDCUGB-UHFFFAOYSA-N,3,1,0.585,26,360,493.93,4.492,5,0.314,0.68,1.0,0.5485487629360565,0.5143410321431019,0.647539579192653,0.5613563155369748,0.5679464224521965
EOS-3-54238,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccoc5)cn4)n23)cc1,CVPVLGBDLUGLQD-UHFFFAOYSA-N,3,1,0.359,82,453,397.398,2.868,5,0.496,0.83,1.0,0.17914296484134054,0.06440614077170859,0.2854927695154547,0.20821054074429443,0.18431310396819958
EOS-3-54239,Clc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Br)cc5)n34)ncn2)ccn1,ZJQRNPPLMOLAIP-UHFFFAOYSA-N,3,1,0.523,4,675,494.74,4.638,5,0.329,0.68,1.0,0.7987972037557398,0.8922195188815023,0.7252073195805634,0.7490833390446165,0.7913268453156055
EOS-3-54240,Cc1cccc(-c2nnc3cncc(OCc4cnc(-c5cn(C)nn5)nc4)n23)c1,ZGYYZQDOUGRSDJ-UHFFFAOYSA-N,3,1,0.488,92,256,399.418,2.264,5,0.443,0.75,1.0,0.30691008155712424,0.18569666232609142,0.10194640531834692,0.08341614693989445,0.16949232403536424
EOS-3-54241,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)O)cc5)n34)n2)n1,AXFURPBAQYULES-UHFFFAOYSA-N,3,1,0.387,76,865,398.386,2.347,5,0.489,0.74,1.0,0.09584675484887945,0.004326297032417243,0.17301761359742307,0.10492769515454732,0.09452959015831676
EOS-3-54242,COc1ncc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(Cl)c(Cl)c1,WVMOCCPYPFSAPP-UHFFFAOYSA-N,3,1,0.59,35,393,493.354,5.185,5,0.309,0.76,1.0,0.8923308889041189,0.870536632170516,0.8266397094099103,0.8080152148584744,0.8493806113357549
EOS-3-54243,Cc1ncc(-c2cccc(-c3nnc4cncc(Cc5sccc5OCc5ccccc5)n34)c2)nn1,LQLJQFQNURYBEW-UHFFFAOYSA-N,3,1,0.362,77,177,491.58,5.183,6,0.304,0.7,1.0,0.2402080049345487,0.18146460146665752,0.4141251456377219,0.3857771914193681,0.3053937358645741
EOS-3-54244,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4)n23)cc1F,UHTPGKGREFEXJB-UHFFFAOYSA-N,3,1,0.517,48,646,395.825,3.534,4,0.573,0.92,1.0,0.38797889109725175,0.4603437050236447,0.782777054348571,0.7995510931396066,0.6076626859022685
EOS-3-54245,Fc1cc(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)ccc1Oc1ncccn1,SUJHMJTVECGHKH-UHFFFAOYSA-N,3,1,0.49,28,427,491.486,5.154,6,0.302,0.68,1.0,0.8069700500308409,0.6661726406689055,0.7528013844150504,0.660381399492838,0.7215813686519087
EOS-3-54246,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccnn5C)nc4)n23)cn1,IPIXNIBOODISIT-UHFFFAOYSA-N,3,1,0.433,7,535,399.418,2.264,5,0.443,0.74,1.0,0.3220478377081763,0.1685713796175725,0.12969467479953395,0.07454081282982661,0.17371367623877731
EOS-3-54247,CCc1nc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)ccc1-c1nc(C)cs1,GSQZQTGAMMLUNS-UHFFFAOYSA-N,3,1,0.432,31,690,483.022,5.517,5,0.304,0.59,0.99,0.4923583030635323,0.584949626482078,0.15378486738400385,0.18018812966897402,0.35282023164964704
EOS-3-54248,Cc1cccc(COc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)n1,NZBQTCSQAVEMOE-UHFFFAOYSA-N,3,1,0.512,2,419,400.467,4.197,5,0.44,0.78,1.0,0.3672812007401823,0.32526900143924337,0.464978411349462,0.40763141662668767,0.3912900075388938
EOS-3-54249,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cn1,HAYWSFVAOUBJIR-UHFFFAOYSA-N,3,1,0.494,65,658,399.418,1.998,5,0.426,0.72,1.0,0.49993146460146665,0.3345384140908779,0.07595435542457679,0.05773250633952436,0.2420391851141114
EOS-3-54250,Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5ncccc5F)n34)c2)cn1,RXNKHCJUBMAQRS-UHFFFAOYSA-N,3,1,0.362,2,858,400.377,3.278,5,0.453,0.69,1.0,0.6182492632444657,0.5898841751764786,0.41792886025632237,0.3504900280995134,0.494138081694195
EOS-3-54251,Cc1cnc(-c2nnc3cncc(OCc4cncc(-c5nnn(C)n5)n4)n23)cn1,NUJDHYOJVHRMNT-UHFFFAOYSA-N,3,1,0.359,7,828,402.382,0.449,5,0.403,0.6,0.999,0.17626447810294016,0.08890754574737852,0.005320060311150709,0.0021331642793502846,0.06815631211020493
EOS-3-54252,Fc1ccc(Oc2cncc3nnc(-c4cc(Cl)nc(-c5cccnc5F)c4)n23)c(F)c1F,ZLHCEOQWAPWUQB-UHFFFAOYSA-N,3,1,0.446,13,236,472.789,5.25,5,0.202,0.58,1.0,0.832705092180111,0.9290829963676239,0.9769035706942636,0.9787197587553972,0.9293528544993489
EOS-3-54253,CCCc1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)nc1,PFSRXMNGYNMMTH-UHFFFAOYSA-N,3,1,0.323,66,505,398.392,4.143,4,0.505,0.82,1.0,0.35098690973888014,0.33454698101569463,0.9067918579946542,0.8148516208621753,0.6017943424028511
EOS-3-54254,CCc1nc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1-c1cncn1CC,ZFELHCRQVULQFM-UHFFFAOYSA-N,3,1,0.361,31,690,493.934,3.836,5,0.321,0.61,0.437,0.4439294770749092,0.4426273045027757,0.1537934343088205,0.1719724487697896,0.30308066616407375
EOS-3-54255,c1cnnc(Cc2ncc(-c3cc(-c4nnc5cncc(OCCc6ccncc6)n45)ccn3)s2)c1,YXGZPFIMBOOGGB-UHFFFAOYSA-N,3,1,0.511,6,393,493.556,3.707,6,0.313,0.64,1.0,0.407442944280721,0.3446302515249126,0.17302618052223973,0.15861661298060448,0.27092899732711945
EOS-3-54256,Cn1cnc(-c2cccc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)n1,FTUBQOZWORHVGG-UHFFFAOYSA-N,3,1,0.519,20,846,399.418,1.998,5,0.426,0.73,1.0,0.3988160509903365,0.24903193749571653,0.08527516962511136,0.06704475361524227,0.2000419779316017
EOS-3-54257,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccccc5)n[nH]4)n23)ccn1,CAGPRQVFAMLJIT-UHFFFAOYSA-N,3,1,0.506,11,963,401.405,3.337,5,0.439,0.67,1.0,0.615584949626482,0.5143495990679186,0.5373774929751216,0.5482060859433897,0.5538795319032279
EOS-3-54258,COc1ncc(-c2nnc3cncc(OCc4ccc(-c5c[nH]nn5)cc4)n23)cn1,YVBKJTFHEVQXJX-UHFFFAOYSA-N,3,1,0.482,16,256,401.39,1.954,5,0.454,0.62,1.0,0.492366869988349,0.2441145226509492,0.20644575423206085,0.12333801658556645,0.2665662908642314
EOS-3-54259,Cn1nccc1CCOc1cncc2nnc(-c3cnnc(-c4cnsc4)c3)n12,JVBQHKLPGQIOHN-UHFFFAOYSA-N,3,1,0.452,92,778,405.447,2.06,5,0.422,0.47,1.0,0.3017442258926736,0.17286340895072305,0.06526283325337537,0.0592402851072579,0.14977768830100746
EOS-3-54260,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccn5)c4)n23)nc1,IUVXEZYNUBBCQC-UHFFFAOYSA-N,3,1,0.323,33,432,397.402,1.794,5,0.491,0.82,0.992,0.00884106641080118,0.012379206360084985,0.10992221232266465,0.06887807552600918,0.05000514015488999
EOS-3-54261,Fc1ncccc1COc1cncc2nnc(-c3cncc(-c4cncnc4)c3)n12,NRSHFAKULAWHEV-UHFFFAOYSA-N,3,1,0.443,2,419,400.377,2.756,5,0.415,0.73,1.0,0.6866047563566582,0.5990593516551299,0.5898584744020287,0.5419950654513056,0.6043794119662806
EOS-3-54262,Cc1ccc(-c2nnc3cncc(Oc4nnc(-c5cccnn5)cc4F)n23)cc1,JTJLGLRFOQCBEL-UHFFFAOYSA-N,3,1,0.435,72,706,400.377,3.278,5,0.453,0.65,1.0,0.8200003426769926,0.7510708656020835,0.36651874443149884,0.3536255225824138,0.5728038688232472
EOS-3-54263,Cn1cnnc1-c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2Cl)o1,KDOFXYMZEVMNEV-UHFFFAOYSA-N,3,1,0.473,16,214,490.936,4.536,6,0.335,0.6,1.0,0.6469741621547529,0.5650743609074087,0.3554588444931807,0.39832773627578644,0.4914587759577822
EOS-3-54264,Fc1cc(-c2ncco2)ccc1-c1cncc2nnc(-c3ccc(Br)cc3OC3CC3)n12,HMAMTWWRRBDYIG-UHFFFAOYSA-N,3,1,0.322,96,46,492.308,5.556,6,0.32,0.8,1.0,0.5783016928243437,0.6038311287780138,0.7406877527242821,0.814860187786992,0.6844201905284079
EOS-3-54265,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccoc5)cn4)n23)cc1,MOZVTHJQTIWAPY-UHFFFAOYSA-N,3,1,0.377,74,333,397.398,2.868,5,0.496,0.85,1.0,0.21536392296621204,0.09815125762456309,0.3183640600370091,0.23162394626824756,0.21587579672400795
EOS-3-54266,COc1ncccc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3)n12,BMZFPKBRHUPATI-UHFFFAOYSA-N,3,1,0.333,64,961,399.389,3.458,5,0.457,0.76,1.0,0.467402851072579,0.4691762045096292,0.40019532588582,0.41730347474470564,0.4385194640531834
EOS-3-54267,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cn1,KWMNNOKSWWDFBR-UHFFFAOYSA-N,3,1,0.35,82,204,397.398,2.868,5,0.496,0.81,1.0,0.2428637516277157,0.09512713316427936,0.29634706325817284,0.22885682955246384,0.2157986944006579
EOS-3-54268,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)no1,VKLDYPXYSNGEAR-UHFFFAOYSA-N,3,1,0.522,65,981,400.402,2.561,5,0.424,0.75,1.0,0.484913645397848,0.4019087108491536,0.08770817627304503,0.07454937975464328,0.26226997806867247
EOS-3-54269,OCc1ccc(-c2nnc3cncc(-c4ccnc(-c5ccc(F)nc5)c4)n23)cn1,AYLBNKHQUCSOSN-UHFFFAOYSA-N,3,1,0.378,82,478,399.389,2.942,5,0.464,0.73,0.998,0.3394900966349119,0.40191727777397024,0.6752878486738401,0.6462117058460695,0.5157267322321979
EOS-3-54270,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-n5ccnn5)nc4)n23)cn1,DHKMCTBPHQSLGA-UHFFFAOYSA-N,3,1,0.361,85,290,398.39,0.852,5,0.459,0.79,0.999,0.015660338564868755,0.022034130628469605,0.048223219793023096,0.030532520046604072,0.029112552258241383
EOS-3-54271,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnnc5)n34)[nH]n2)cn1,QDGKJTLYJXYVIM-UHFFFAOYSA-N,3,1,0.435,65,963,403.381,2.127,5,0.428,0.54,1.0,0.5228565554108697,0.4472791446782263,0.3332191076691111,0.3246521828524433,0.4070017476526626
EOS-3-54272,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)cc(-c6ccncc6)n5)n34)c2)cc1,LTQKWUYOHJGWPS-UHFFFAOYSA-N,3,1,0.426,28,560,493.477,5.168,6,0.316,0.71,1.0,0.5587348365430745,0.5696919333835926,0.8421115756288123,0.8445531492015627,0.7037728736892604
EOS-3-54273,COCc1cnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)cn1,HETFXUYZIUKWDT-UHFFFAOYSA-N,3,1,0.342,82,478,400.467,4.123,5,0.442,0.75,1.0,0.27460420807346997,0.22361387156466314,0.47883112877801387,0.46780549653896236,0.36121367623877737
EOS-3-54274,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ncccn5)c4)n23)cc1,HOTAEIUUZKNISY-UHFFFAOYSA-N,3,1,0.333,74,333,397.402,1.794,5,0.491,0.83,1.0,0.010143238982934686,0.010597285998218079,0.12671338496333356,0.07261325474607634,0.05501679117264066
EOS-3-54275,Cc1nn(C2CCC2)cc1-c1ccc(-c2cncc3nnc(-c4ccc(C#N)cc4F)n23)c(Cl)c1,IKLBGZZPEGLTEH-UHFFFAOYSA-N,3,1,0.341,61,341,483.938,6.019,6,0.312,0.69,0.989,0.19620827907614283,0.42496230553080666,0.6384329381125351,0.8287300390651772,0.5220833904461655
EOS-3-54276,O=C(NCCF)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nncs5)cc4F)n23)cc1F,DMJGBAIBZQEUST-UHFFFAOYSA-N,3,1,0.417,13,451,497.462,4.08,5,0.361,0.73,1.0,0.586860050716195,0.46478137207867865,0.5964036049619629,0.5451990953327394,0.548311030772394
EOS-3-54277,Cn1ccc(Cc2cncc3nnc(-c4ccnc(-c5ccnc(CF)c5)c4)n23)n1,OEAFAMFGVJQYRB-UHFFFAOYSA-N,3,1,0.33,85,81,400.421,3.042,5,0.451,0.68,1.0,0.15734870810773766,0.10451648276334727,0.33322767459392777,0.2967154410252896,0.22295207662257557
EOS-3-54278,Fc1cccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(F)c5F)n34)cc2Cl)n1,XVKQCRIDRCKBLV-UHFFFAOYSA-N,3,1,0.461,57,236,471.801,5.855,5,0.187,0.75,1.0,0.9560859433897608,0.9618257830169282,0.9896425878966486,0.9929751216503324,0.9751323589884175
EOS-3-54279,Cc1cccc(COc2cncc3nnc(-c4cncc(-c5noc(C)n5)c4)n23)n1,ZMASQZMDSPCCJK-UHFFFAOYSA-N,3,1,0.476,7,464,400.402,2.827,5,0.439,0.75,1.0,0.32995510931396066,0.21824240970461242,0.112569392091015,0.07058289356452607,0.18283745116852854
EOS-3-54280,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(C(F)F)c4)n23)nc1,WKFLCCQVOOOEHU-UHFFFAOYSA-N,3,1,0.287,63,108,396.361,2.337,5,0.555,0.86,0.999,0.06020834761154136,0.12038242752381605,0.21665752861352888,0.2552172572133507,0.16311639024055924
EOS-3-54281,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCc3ccc(F)c(-c4cccnn4)n3)n12,XLMKXESKSUNHDA-UHFFFAOYSA-N,3,1,0.489,81,218,494.465,4.563,6,0.332,0.67,0.988,0.6013038859570968,0.737903502158865,0.7380662737303817,0.7361644164210814,0.7033595195668563
EOS-3-54282,Cc1ccc(-c2nnc(-c3ccc(-c4nnc5cncc(OCc6cccc(C)n6)n45)cc3F)[nH]2)cn1,XJDCVBRRYMKNFN-UHFFFAOYSA-N,3,1,0.57,81,92,493.506,4.368,6,0.363,0.56,1.0,0.5727760263175931,0.5990679185799466,0.4994345829620999,0.4173120416695223,0.5221476423822905
EOS-3-54283,COc1cc(-c2nnc3cncc(OCCc4ccnc(Br)c4)n23)ccc1-c1ncon1,ZXVNXMUDWZRGQG-UHFFFAOYSA-N,3,1,0.547,35,604,494.309,3.629,5,0.313,0.62,1.0,0.8327136591049277,0.6038396957028305,0.39649441436501953,0.2849616201768213,0.5295023473373998
EOS-3-54284,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)no1,MZCCOLAELLHLJG-UHFFFAOYSA-N,3,1,0.525,65,131,400.402,2.561,5,0.424,0.74,1.0,0.47496744568569665,0.2539664861901172,0.11257795901583167,0.09467308614899596,0.23404624426016038
EOS-3-54285,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ncccn5)nn4C)n23)nn1,DOEMWHISQYYZCE-UHFFFAOYSA-N,3,1,0.37,53,587,400.406,1.659,5,0.433,0.65,0.999,0.19899252964155986,0.13802172572133506,0.02135734356795285,0.012593379480501678,0.09274124460283735
EOS-3-54286,Cc1ccnc(COc2cncc3nnc(-c4cccc(-c5ncn(C)n5)c4)n23)n1,DCYDGZZQGVXCHR-UHFFFAOYSA-N,3,1,0.438,36,931,399.418,2.264,5,0.443,0.73,1.0,0.33243095058597766,0.2084504146391611,0.0782417243506271,0.046835377972722914,0.16648961688712216
EOS-3-54287,Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccc(Cl)nn5)cc4)n23)ccn1,ARUXWZUYODPECT-UHFFFAOYSA-N,3,1,0.356,96,558,399.845,4.272,5,0.45,0.78,1.0,0.2722226029744363,0.25903810568158453,0.6475481461174697,0.6808220821054074,0.4649077342197245
EOS-3-54288,Cc1ccc(COc2cncc3nnc(-c4cc(-c5cc(C)no5)cnn4)n23)nc1,CJELJSVZQWHDLH-UHFFFAOYSA-N,3,1,0.427,92,182,400.402,2.827,5,0.439,0.7,1.0,0.21537248989102872,0.11699849222123226,0.1761788088547735,0.12102494688506614,0.15739368446302515
EOS-3-54289,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)c4)n23)cc1,AOKAUMPFTKFAST-UHFFFAOYSA-N,3,1,0.329,61,124,397.402,1.998,5,0.475,0.88,1.0,0.22925947501884725,0.08575491741484477,0.23120416695223084,0.17198101569460628,0.17954989377013225
EOS-3-54290,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NCc6ccccc6)cc5)n34)cc2)nn1,ZQWZATWSZIGBOQ-UHFFFAOYSA-N,3,1,0.349,93,220,498.55,4.549,6,0.359,0.86,1.0,0.25352957302446716,0.0889161126721952,0.47518161880611337,0.3922366527311356,0.30246598930847785
EOS-3-54291,Cn1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cncs6)cc5)n34)cc2)nc2ccccc21,XXIKVCBSAXDSLI-UHFFFAOYSA-N,3,1,0.303,69,958,485.576,6.136,7,0.3,0.72,1.0,0.20734528133781097,0.14167123569323556,0.6321790829963676,0.6490816256596532,0.4075693064217668
EOS-3-54292,Fc1cnc(Br)cc1-c1cnnc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,QERVPBYCHQTWLO-UHFFFAOYSA-N,3,1,0.446,18,87,493.3,3.561,5,0.331,0.54,1.0,0.6624031937495717,0.5898927421012953,0.560628126927558,0.5613648824617915,0.5935722363100541
EOS-3-54293,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5nnn(C)n5)ccn4)n23)cn1,JQQMZRVIOIWWPZ-UHFFFAOYSA-N,3,1,0.529,36,185,400.406,1.659,5,0.433,0.7,1.0,0.2991998492221232,0.22870262490576382,0.05944589130285793,0.03674354053868823,0.1560229764923583
EOS-3-54294,COc1cccc(Oc2cncc3nnc(-c4ccnc(-c5cnnn5C)c4)n23)c1,LRYFNONIRATWJE-UHFFFAOYSA-N,3,1,0.517,24,374,400.402,2.783,5,0.443,0.71,0.992,0.2126910424234117,0.1342865465012679,0.2820145980398876,0.19924097046124323,0.2070582893564526
EOS-3-54295,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cocn5)n34)ncn2)cn1,XYBSLZQUVDWRQQ-UHFFFAOYSA-N,3,1,0.529,31,238,400.402,2.561,5,0.424,0.69,0.999,0.4256904941402234,0.2182509766294291,0.13882701665410185,0.1007556027688301,0.22088102254814612
EOS-3-54296,CCn1cc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)N=c6cc(C)o[nH]6)cc5)n34)n2)cn1,BYEMZJIGIOKCQK-UHFFFAOYSA-N,3,1,0.281,74,139,492.503,3.102,6,0.386,0.55,1.0,0.06370365293674182,0.07534610376259337,0.1388355835789185,0.06705332054005894,0.08623466520457818
EOS-3-54297,CCOc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3F)n12,HZEZPUPOZCLVBS-UHFFFAOYSA-N,3,1,0.358,25,745,497.498,2.982,6,0.341,0.74,1.0,0.3489736824069632,0.3733979850592831,0.20277911041052704,0.19386094167637585,0.2797529298882873
EOS-3-54298,CCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccc(Cl)cn1,SLWZDPXVPIQIRH-UHFFFAOYSA-N,3,1,0.474,49,578,492.37,5.134,5,0.291,0.72,0.999,0.764803646083202,0.7811065040093208,0.5238760194640532,0.589798505928312,0.664896168871222
EOS-3-54299,Cc1nc(-c2ccc(CO)cn2)cc(-c2nnc3cncc(Cn4ccnn4)n23)n1,CZSWYMTYOPOSOB-UHFFFAOYSA-N,3,1,0.287,33,330,400.406,1.084,5,0.46,0.64,1.0,0.06739599753272565,0.015129189226235351,0.041849427729422246,0.0367521074635049,0.04028168048797204
EOS-3-54300,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)ncn4)n23)cn1,SBSCSISARSYJGT-UHFFFAOYSA-N,3,1,0.457,92,185,400.406,1.659,5,0.433,0.67,1.0,0.23481084230004798,0.20360153519292715,0.07596292234939346,0.04816325131930642,0.14063463779041877
EOS-3-54301,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)nn5)cn4)n23)cn1,IXJKSPTYZNMLDY-UHFFFAOYSA-N,3,1,0.465,85,290,399.393,2.472,5,0.454,0.69,1.0,0.31740456445754234,0.33953293125899525,0.19933520663422657,0.19642245219655952,0.26317378863683094
EOS-3-54302,Fc1ccc(-c2cncc(-c3nnc4cncc(COc5cccnc5)n34)c2)nc1,GDUYWXHZGUWKIS-UHFFFAOYSA-N,3,1,0.429,2,767,399.389,3.361,5,0.447,0.75,1.0,0.5355613049139881,0.5054228634089507,0.620767939140566,0.6017236652731136,0.5658689431841546
EOS-3-54303,CCc1nc(C)cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4F)n23)n1,MCRPXDHVUDQZLU-UHFFFAOYSA-N,3,1,0.394,68,244,401.352,2.843,4,0.475,0.58,1.0,0.6128092659858817,0.5371547529298882,0.4401257624563087,0.3983363032006031,0.49710652114317044
EOS-3-54304,Fc1cccc(OCc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)c1,WPKAHTPKQVCIKS-UHFFFAOYSA-N,3,1,0.456,14,189,398.401,3.966,5,0.446,0.87,1.0,0.38568295524638474,0.46918477143444587,0.6752964155986567,0.6924730998560756,0.5556593105338907
EOS-3-54305,Cc1ccnc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)cc4)n23)c1,OMBDEBLNNDOYDY-UHFFFAOYSA-N,3,1,0.291,96,856,399.845,4.272,5,0.45,0.75,1.0,0.20450962922349394,0.2590466726064012,0.5373860598999384,0.5958467548488795,0.39919727914467823
EOS-3-54306,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cnn(C)c5)ccn4)n23)c(F)c1,HIRQHBCXCQLPRP-UHFFFAOYSA-N,3,1,0.333,14,81,399.433,3.625,5,0.461,0.76,1.0,0.24021657185936537,0.31564834487012544,0.6560122678363375,0.6079689534644644,0.45496153450757315
EOS-3-54307,COCc1cc(-c2nnc3cncc(OCc4ncc(-c5nnccc5Cl)cn4)n23)ccc1Cl,OMLSVAJSMUHZSN-UHFFFAOYSA-N,3,1,0.457,51,946,495.33,4.071,5,0.33,0.65,1.0,0.6924559660064423,0.8253461037625934,0.5931224727571791,0.6284182030018505,0.6848356863820163
EOS-3-54308,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncs5)cn4)n23)cc1,RFQUKWWSAHEDCB-UHFFFAOYSA-N,3,1,0.597,97,744,400.467,4.197,5,0.44,0.77,1.0,0.5199780686724693,0.5054314303337674,0.5238845863888698,0.4457970666849428,0.49877278802001224
EOS-3-54309,CCc1nc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1nc(=N)nc(C)[nH]1,MGNFFFNLIMYZJV-UHFFFAOYSA-N,3,1,0.394,31,690,488.943,2.992,5,0.356,0.54,0.107,0.5381656500582551,0.4962562538551162,0.07167945994105955,0.06706188746487561,0.2932908128298266
EOS-3-54310,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5cnccc5F)n34)ccn2)nn1,PYIDWLRITIPVBR-UHFFFAOYSA-N,3,1,0.422,24,241,400.377,3.278,5,0.453,0.67,0.999,0.5984682338427798,0.5990764855047632,0.45091152080049346,0.4109810842300048,0.5148593310945103
EOS-3-54311,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(Oc5ccccc5)cc4[N+](=O)[O-])n23)c1,FYUSRYKKSPJUKD-UHFFFAOYSA-N,3,1,0.33,17,960,490.483,4.954,6,0.237,0.79,1.0,0.19900109656637655,0.016585566445068877,0.39279350284421904,0.2789733397299705,0.22183837639640874
EOS-3-54312,c1ccc(CCOc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)nc1,XBAJBMINFLFEPT-UHFFFAOYSA-N,3,1,0.615,87,419,401.455,3.326,5,0.431,0.65,1.0,0.47999623055308066,0.38751627715715165,0.2559711465972175,0.24337776711671577,0.34171535535604136
EOS-3-54313,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)c1,CDNZXOUEHJCZRC-UHFFFAOYSA-N,3,1,0.512,97,160,398.401,3.966,5,0.446,0.87,1.0,0.7013912685902268,0.6086714412994312,0.7689243369200192,0.7764632307586868,0.713862569392091
EOS-3-54314,Cc1cncc(COc2cncc3nnc(-c4cc(-c5cncn5C)ccn4)n23)n1,NMTOAYFXNZCXTF-UHFFFAOYSA-N,3,1,0.396,7,211,399.418,2.264,5,0.443,0.72,1.0,0.20163970940991022,0.05653313686519087,0.14467822630388597,0.09468165307381263,0.1243831814131999
EOS-3-54315,OCc1ccncc1-c1nnc2cncc(-c3cncc(-c4cccc(F)c4)c3)n12,FJJUPIUNYDFQRR-UHFFFAOYSA-N,3,1,0.349,96,859,398.401,3.547,5,0.498,0.79,1.0,0.30175279281749023,0.4249708724556233,0.8285844013432938,0.8500188472345966,0.601331728462751
EOS-3-54316,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc(-c5sccc5Cl)n4)n23)cc1,UWNDNLZLNBSRFR-UHFFFAOYSA-N,3,1,0.691,1,996,485.903,5.749,5,0.292,0.72,1.0,0.9055753546706874,0.9593328078952779,0.9172435062709889,0.9072716057843876,0.9223558186553356
EOS-3-54317,Clc1cncc(-c2nnc3cncc(OCc4ccc(-c5sc(Cl)nc5Cl)nc4)n23)c1,BMCYYBAFEMTFGR-UHFFFAOYSA-N,3,1,0.471,55,89,490.763,5.244,5,0.332,0.7,1.0,0.6956599958878761,0.7510794325269001,0.6263021725721335,0.7412617366869988,0.703575834418477
EOS-3-54318,COc1ncccc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)nc3)n12,LKRYIXDTFSUABC-UHFFFAOYSA-N,3,1,0.379,96,46,398.401,4.063,5,0.454,0.88,1.0,0.4749760126105133,0.5697005003084092,0.6806850113083408,0.6518830100747036,0.5943111335754917
EOS-3-54319,Cc1ncc(-c2ncccc2-c2nnc3cncc(OCc4ccns4)n23)cn1,KVDJZEPWQBXTMY-UHFFFAOYSA-N,3,1,0.482,55,441,402.443,2.987,5,0.442,0.59,0.999,0.38108251661983417,0.30031354944829003,0.11555924885203207,0.0946902199986293,0.22291138372969638
EOS-3-54320,Cc1cc(Oc2cncc3nnc(-c4cnnc(-c5ncccn5)c4)n23)ccc1F,KMEJGKKJWNEHEQ-UHFFFAOYSA-N,3,1,0.478,13,374,400.377,3.278,5,0.453,0.66,1.0,0.6683229387978891,0.6183092317181824,0.4473476800767596,0.4300167911726407,0.540999160441368
EOS-3-54321,CN=c1[nH]nc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cc2Cl)s1,LBVKFQSABDCQBT-UHFFFAOYSA-N,3,1,0.583,13,15,488.335,5.012,5,0.384,0.61,0.995,0.7107377835652114,0.7005088753341101,0.7641611267219519,0.8227160578438764,0.7495309608662875
EOS-3-54322,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(Oc5ccccc5)c(F)c4)n23)ccn1,AYRFLIKTDZKVCX-UHFFFAOYSA-N,3,1,0.495,28,881,494.49,4.492,6,0.32,0.67,1.0,0.4999400315262833,0.45149407168802685,0.6351518059077513,0.5837245562332944,0.5425776163388389
EOS-3-54323,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCc5ncn(C)n5)n34)c2)n1,DRTWLXAUSCEZJA-UHFFFAOYSA-N,3,1,0.396,92,36,401.394,1.054,5,0.42,0.63,1.0,0.1735144952367898,0.12410047289424989,0.015540401617435405,0.008584058666301145,0.08043485710369407
EOS-3-54324,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cccnc5)cn4)n23)cc1Cl,XIUHLGKGHVDNJV-UHFFFAOYSA-N,3,1,0.474,89,788,498.934,3.768,6,0.36,0.82,1.0,0.4698187238708793,0.44263587142759236,0.2527157151668837,0.32466074977725995,0.37245776506065387
EOS-3-54325,COc1nc(-c2nnc3cncc(OCCc4c(Cl)ncc(C)c4F)n23)ncc1-c1ccccn1,QUTYWTIVLCDDRS-UHFFFAOYSA-N,3,1,0.416,65,262,492.902,3.769,5,0.313,0.55,0.305,0.7013998355150435,0.5416695223082723,0.25970632581728464,0.25522582413816736,0.4395003769446919
EOS-3-54326,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccn1,AICKZXMRCSISFO-UHFFFAOYSA-N,3,1,0.494,65,658,399.418,1.998,5,0.426,0.71,1.0,0.4371102049208416,0.2084589815639778,0.07825029127544376,0.05924885203207457,0.19576708244808444
EOS-3-54327,Clc1cncc(-c2cncc(COc3cncc4nnc(-c5ccc(-c6ncccn6)cn5)n34)n2)n1,QNNFFFBZFROTBS-UHFFFAOYSA-N,3,1,0.388,80,34,495.894,3.123,6,0.336,0.6,1.0,0.509800561990268,0.5511959427044069,0.16644678226303886,0.1883695428688918,0.3539532074566514
EOS-3-54328,Cn1ccnc1-c1nnc2cncc(OCCc3ccnc(-c4cccnn4)n3)n12,HQYUHUKMPNGRCS-UHFFFAOYSA-N,3,1,0.411,31,779,400.406,1.393,5,0.416,0.66,1.0,0.21825954355424576,0.016594133369885546,0.013587142759235145,0.010314577479268042,0.06468884929065863
EOS-3-54329,Fc1ccc(-c2cnc(-c3nnc4cncc(-c5ccc(-c6ccncc6)s5)n34)nc2)cc1Cl,BAWWSJRROFJIPH-UHFFFAOYSA-N,3,1,0.317,32,723,485.935,5.831,6,0.312,0.6,0.999,0.2695068878075526,0.3734065519840998,0.7869662805839216,0.8533942156123638,0.5708184839969844
EOS-3-54330,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5ccc(F)c(-c6cccnn6)n5)n34)c2)nc1,PAFXNXUGPZICQA-UHFFFAOYSA-N,3,1,0.479,81,218,494.465,4.563,6,0.332,0.64,1.0,0.5868686176410116,0.6086800082242478,0.6859708039202248,0.6868017956274416,0.6420803063532314
EOS-3-54331,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,LTYMXEZCCKJLAL-UHFFFAOYSA-N,3,1,0.532,20,846,398.43,2.603,5,0.434,0.8,1.0,0.47498457953533,0.2796929614145706,0.17618737577959015,0.14574052498115275,0.2691513604276609
EOS-3-54332,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ncn(C)n5)n34)ccn2)cn1,PWIDMDHLEHAOQY-UHFFFAOYSA-N,3,1,0.466,92,43,399.418,2.264,5,0.443,0.73,1.0,0.23750085669248167,0.1857052292509081,0.10720649715578096,0.07262182167089301,0.15075860119251594
EOS-3-54333,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)cc1Cl,JUDUFNADXGDORI-UHFFFAOYSA-N,3,1,0.441,89,463,499.922,3.163,6,0.358,0.84,1.0,0.43031663354122407,0.42497943938043997,0.16015865944760468,0.22886539647728052,0.3110800322116373
EOS-3-54334,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(C#N)cc4)n23)on1,YAZRWNCZRYGKLS-UHFFFAOYSA-N,3,1,0.549,36,895,399.374,2.025,5,0.435,0.76,1.0,0.6653673497361388,0.49626482077993284,0.18906346377904187,0.1992495373860599,0.3874862929202933
EOS-3-54335,Fc1ncc(-c2cccc(COc3cncc4nnc(-c5ccncc5)n34)c2)cn1,IKCDPPQEGUHBOS-UHFFFAOYSA-N,3,1,0.55,97,91,399.389,3.361,5,0.419,0.8,1.0,0.7261154136111302,0.6135203207456651,0.707088273593311,0.6462202727708861,0.673236070180248
EOS-3-54336,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cnccn5)cn4)n23)cc1,XUBGPHLQPMAKFL-UHFFFAOYSA-N,3,1,0.337,74,333,397.402,1.794,5,0.491,0.83,1.0,0.0410098690973888,0.018196148310602425,0.18581659927352479,0.11176410115824824,0.08919667945994106
EOS-3-54337,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccncc5)n34)ccn2)ccn1,CCXIHKCIIVOQIH-UHFFFAOYSA-N,3,1,0.494,97,183,399.389,3.361,5,0.419,0.77,1.0,0.7138133095743951,0.6086885751490645,0.6940665478719759,0.6374734425330684,0.6635104687821259
EOS-3-54338,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5ccccc5OC(F)F)c4)n23)nc1Cl,LLFFMNGNBSYGDD-UHFFFAOYSA-N,3,1,0.484,57,480,483.837,6.04,5,0.274,0.7,1.0,0.962888081694195,0.9582619422931944,0.9782485778904805,0.97508738263313,0.96862149612775
EOS-3-54339,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(-c6nc(C)cn6C)cn5)n34)ccc2F)nn1,HMEHFNTXDCDIAT-UHFFFAOYSA-N,3,1,0.366,67,622,493.506,4.592,6,0.343,0.66,1.0,0.5023559043245837,0.505439997258584,0.44013432938112534,0.35049859502433006,0.44960720649715574
EOS-3-54340,COCc1ccc(-c2nnc3cncc(CCc4ncc(Cl)nc4F)n23)cn1,KTWJPQAKOYOQNQ-UHFFFAOYSA-N,3,1,0.429,68,5,399.817,2.7,4,0.492,0.63,1.0,0.4074515112055377,0.4821722294565143,0.21339353025837846,0.2727280515386197,0.34393633061476253
EOS-3-54341,Cn1cc(-c2cc(-c3nnc4cncc(COCc5cccnn5)n34)nn2C)cn1,LZQGPSNRKQSRLT-UHFFFAOYSA-N,3,1,0.327,92,105,402.422,1.432,5,0.419,0.54,0.96,0.03966486190117195,0.002904187512850387,0.05184702899047358,0.03788294153930505,0.03307475498595024
EOS-3-54342,COc1ccc(-c2nnc3cncc(Cc4ccc(-c5ncn(C)n5)cc4)n23)cn1,JOWOYAYUDUJRKV-UHFFFAOYSA-N,3,1,0.348,14,740,398.43,2.581,5,0.449,0.79,1.0,0.21538105681584538,0.1728719758755397,0.2312127338770475,0.14319614831060243,0.19066547871975878
EOS-3-54343,CCc1nc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1nccc(CO)n1,OGHPIJRVTIAEHK-UHFFFAOYSA-N,3,1,0.373,13,971,494.342,4.797,5,0.359,0.67,0.951,0.5559420190528408,0.6807192790076074,0.47519018573093,0.5515386196970735,0.565847525872113
EOS-3-54344,Cc1cc(-c2ccc(-c3nnc4cncc(Cc5ccc(F)cn5)n34)cn2)n(C)n1,DUXDNPJUDWYXLB-UHFFFAOYSA-N,3,1,0.366,85,60,400.421,3.02,5,0.461,0.65,1.0,0.23188952093756426,0.29542183537797273,0.30372318552532385,0.2876345007196217,0.2796672606401206
EOS-3-54345,Cc1nc(-c2ccc(F)c(Cl)c2)c(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)s1,LZGHYHNBTRMIIC-UHFFFAOYSA-N,3,1,0.324,3,668,487.951,5.868,6,0.311,0.7,0.997,0.01566890548968542,0.13803029264615174,0.635160372832568,0.7490919059694332,0.3844878692344596
EOS-3-54346,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccn1,SGSGXKRZKQRELH-UHFFFAOYSA-N,3,1,0.494,20,658,399.418,1.998,5,0.426,0.73,1.0,0.3372626961825783,0.13429511342608458,0.10721506408059762,0.080023644712494,0.16469912960043864
EOS-3-54347,Cn1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)nc2)n1,JPGDALLMWNZYEV-UHFFFAOYSA-N,3,1,0.38,74,918,398.39,1.143,5,0.475,0.74,1.0,0.130003084092934,0.029221780549653895,0.06742169830717566,0.0357669111095881,0.06560336851483792
EOS-3-54348,Cc1cnc(-c2nc(-c3ccc(-c4nnc5cncc(OCCc6ncccn6)n45)cn3)cs2)cn1,ZTRNPUPXMKIHQU-UHFFFAOYSA-N,3,1,0.448,80,297,494.544,3.487,6,0.325,0.62,1.0,0.4749931464601467,0.5188729353711192,0.05384312247275718,0.04173805770680557,0.27236181550270716
EOS-3-54349,Fc1ccc2nc(-c3ccc(-c4cncc5nnc(-c6ccc(C(F)F)cc6)n45)nc3)cnc2c1F,XXJHKUYHSQBTHE-UHFFFAOYSA-N,3,1,0.322,96,572,487.42,5.679,6,0.298,0.62,0.995,0.41634397916523885,0.6756390925913234,0.9620656569117949,0.960463641971078,0.7536280926598588
EOS-3-54350,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cc(C)n[nH]5)c4)n23)nn1,AMJNRMZOPIJPSV-UHFFFAOYSA-N,3,1,0.43,53,587,399.418,2.562,5,0.479,0.72,0.993,0.3879874580220684,0.2287111918305805,0.19248166678089232,0.13411520800493454,0.23582388115961894
EOS-3-54351,COc1cc(CCOc2cncc3nnc(-c4cncc(-c5ccc(F)c(C(F)F)c5)c4)n23)ncn1,DADYQDUWYRLNBK-UHFFFAOYSA-N,3,1,0.461,87,657,493.449,4.35,5,0.315,0.65,0.997,0.6896203138921253,0.772590980741553,0.8707850729901995,0.7790847097525873,0.7780202693441163
EOS-3-54352,Cc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)O)nc5)n34)cn2)n1,MQPRCIORGUSHSH-UHFFFAOYSA-N,3,1,0.297,82,336,398.386,2.441,5,0.489,0.72,0.993,0.0035638407237338085,0.015137756151052019,0.14468679322870262,0.08342471386471112,0.06170327599204989
EOS-3-54353,Cc1cccc(OCc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)n1,ZWKPOWQBRUAABZ-UHFFFAOYSA-N,3,1,0.344,2,767,401.455,3.592,5,0.444,0.66,1.0,0.2829569597697211,0.23887156466314852,0.3037317524501405,0.22887396340209717,0.2636085600712768
EOS-3-54354,Cc1cc(-c2c(-c3nnc4cncc(OCc5ccncc5)n34)cnn2C)ccn1,YMACSBFUBFDJIH-UHFFFAOYSA-N,3,1,0.482,92,256,398.43,2.869,5,0.449,0.84,1.0,0.23481940922486463,0.10452504968816394,0.27816804879720375,0.21136316907682817,0.20721891919676513
EOS-3-54355,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5nccn5C)n34)ccn2)cn1,NYSGVWJHYBJYOK-UHFFFAOYSA-N,3,1,0.42,51,441,399.418,2.264,5,0.443,0.71,1.0,0.3695771365910493,0.23888013158796517,0.12672195188815022,0.07059146048934274,0.20144267013912687
EOS-3-54356,COCc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)ncn2)cn1,YKWDXXIYQMNWDF-UHFFFAOYSA-N,3,1,0.484,27,354,495.425,3.178,5,0.332,0.61,1.0,0.7442001918991159,0.710052429579878,0.7406963196490988,0.5016619834144336,0.6741527311356317
EOS-3-54357,COc1cnc(-c2ccc(Oc3cncc4nnc(-c5cnc(C(C)(C)OC)s5)n34)c(C)c2)nc1,GFZHJQLMSMRGQA-UHFFFAOYSA-N,3,1,0.415,82,172,489.561,4.696,5,0.321,0.6,1.0,0.38799602494688507,0.2036101021177438,0.24899766979644986,0.07455794667945995,0.22879043588513467
EOS-3-54358,Cc1nc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)c(C)o1,YINBIZGTXIHURV-UHFFFAOYSA-N,3,1,0.488,46,181,399.414,3.432,5,0.443,0.76,1.0,0.2510965663765335,0.11700705914604893,0.1214618600507162,0.09078370228222878,0.14508729696388184
EOS-3-54359,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccnn5-c5ccccc5)c4)n23)cc1,GGKUYUIOJRQFNP-UHFFFAOYSA-N,3,1,0.303,62,302,499.538,3.993,7,0.368,0.83,1.0,0.0547940511274073,0.04549037077650606,0.2027876773353437,0.2641525597971352,0.14180616475909807
EOS-3-54360,Cc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4C)n23)ccc1-c1ncc(Cl)cn1,HNDJTSAHJODHCF-UHFFFAOYSA-N,3,1,0.43,18,263,493.358,4.583,5,0.339,0.57,0.999,0.75012850387225,0.6855938592282914,0.3703481598245494,0.4236258652594065,0.5574240970461244
EOS-3-54361,Fc1ncccc1-c1cc(-c2nnc3cncc(OCc4ccccn4)n23)ncn1,LMIYOBQYNBDGTI-UHFFFAOYSA-N,3,1,0.56,46,238,400.377,2.756,5,0.415,0.69,0.866,0.4972328832842163,0.4647899390034953,0.3743317798642999,0.3567952847645809,0.42328747172914805
EOS-3-54362,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccn2)o1,PVCMFZRJYRGOOA-UHFFFAOYSA-N,3,1,0.482,75,454,400.402,2.561,5,0.424,0.66,1.0,0.4513141662668768,0.25397505311493385,0.08263655678157769,0.05774107326434103,0.21141671235693235
EOS-3-54363,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cn(C)nn5)cn4)n23)cn1,XPXVSIPVZAGANK-UHFFFAOYSA-N,3,1,0.494,92,205,399.418,2.264,5,0.443,0.73,1.0,0.27223116989925294,0.21825954355424576,0.17619594270440683,0.11406003700911521,0.1951866732917552
EOS-3-54364,CCc1nc(-c2cnc(C)nn2)ccc1Oc1cncc2nnc(-c3ccc(-c4c[nH]nn4)c(F)c3)n12,YJMFPCHPCXNHNK-UHFFFAOYSA-N,3,1,0.377,71,622,495.482,3.626,6,0.363,0.58,0.491,0.472560139812213,0.5650829278322254,0.21666609553834557,0.1938695086011925,0.3620446679459941
EOS-3-54365,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Br)c4F)n23)ccn1,DWKMWIKJKVTDJB-UHFFFAOYSA-N,3,1,0.545,75,359,495.316,3.505,5,0.333,0.6,1.0,0.6293519978068672,0.5324515112055377,0.40375059968473714,0.3635460215201151,0.4822750325543143
EOS-3-54366,CCCn1c(-c2cncc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccccc4)nn3)n12,JHQMDPRSOABFJV-UHFFFAOYSA-N,3,1,0.281,8,474,494.95,4.632,6,0.329,0.77,0.104,0.12697895963265027,0.1728805428003564,0.061527654033308204,0.18837810979370845,0.1374413165650058
EOS-3-54367,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccccn5)no4)n23)cc1,LNONJRGNWZVDNL-UHFFFAOYSA-N,3,1,0.412,14,319,397.398,2.531,5,0.483,0.84,0.998,0.1707473785210061,0.09815982454937976,0.20645432115687753,0.15862517990542116,0.15849667603317114
EOS-3-54368,c1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)nc1,NMXPBBQTMOJURA-UHFFFAOYSA-N,3,1,0.633,75,496,400.467,3.931,5,0.43,0.7,1.0,0.5701802480981427,0.46479850592831196,0.35167226372421356,0.34081796998149544,0.43186724693304096
EOS-3-54369,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5cc(Cl)ccc5-c5ccn(C)n5)n34)nn2)cn1,QOXIDDLHBBGQDL-UHFFFAOYSA-N,3,1,0.297,85,81,494.95,3.991,6,0.353,0.56,1.0,0.16556438900692208,0.29022171201425534,0.2855013364402714,0.31560551024604205,0.2642232369268727
EOS-3-54370,COc1cc(-c2cncnn2)ccc1-c1cncc2nnc(-c3ccc(-c4nncn4C)cc3Cl)n12,GHMLEEZZFLASBU-UHFFFAOYSA-N,3,1,0.319,98,642,496.922,3.768,6,0.351,0.68,1.0,0.3272222602974436,0.34463881844972927,0.4686279213213625,0.4551864162840107,0.3989188540881365
EOS-3-54371,Cn1nnc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n1,CBVJPWOOPINTCI-UHFFFAOYSA-N,3,1,0.448,53,466,401.394,0.788,5,0.402,0.63,1.0,0.4009492152696868,0.12410903981906654,0.015548968542252073,0.015231992324035364,0.1389598039887602
EOS-3-54372,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(Cl)cc4)n23)nc1,OXLVHSOZDUGDRE-UHFFFAOYSA-N,3,1,0.324,69,484,491.942,5.639,6,0.308,0.76,0.992,0.40746007813035434,0.5234819409224865,0.6940751147967925,0.7007573161537934,0.5814436125008566
EOS-3-54373,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnn(C)c5)cn4)n23)cn1,DBJWVTNQUWATGP-UHFFFAOYSA-N,3,1,0.453,92,535,399.418,2.264,5,0.443,0.7,1.0,0.3442704406826126,0.23341443355493113,0.18582516619834144,0.10935679528476458,0.21821670893016246
EOS-3-54374,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5nnc(C)s5)cn4)n23)nn1,ZLCPFJAALWZSJS-UHFFFAOYSA-N,3,1,0.304,53,60,401.459,2.702,5,0.452,0.6,1.0,0.06740456445754232,0.0717993968884929,0.025503735179220065,0.022462476869302996,0.046792543348639574
EOS-3-54375,OCc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)nc2)c(Cl)c1,PSRWXVLRBQOXHG-UHFFFAOYSA-N,3,1,0.311,69,479,490.954,5.728,6,0.332,0.69,1.0,0.2939997258584059,0.4515026386128435,0.9035021588650538,0.9072801727092044,0.6390711740113769
EOS-3-54376,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cn1,GSRKJFCIZLTIKC-UHFFFAOYSA-N,3,1,0.489,90,555,397.345,1.798,4,0.512,0.8,1.0,0.6042680419436639,0.447287711603043,0.4326982386402577,0.30637893221849083,0.4476582311013638
EOS-3-54377,Cc1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(C(N)=O)nc5)n34)cc2C(F)(F)F)o1,JTWMLSKQUVGVBX-UHFFFAOYSA-N,3,1,0.463,27,69,497.397,2.636,5,0.369,0.68,1.0,0.5381742169830718,0.4962733877047495,0.5639863614556919,0.3472174628195463,0.4864128572407649
EOS-3-54378,Fc1cc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnn5)c4)n23)ccc1-c1ncccn1,ZIMGMDSIEHKMKC-UHFFFAOYSA-N,3,1,0.327,42,693,495.909,4.484,6,0.344,0.65,1.0,0.42097011856623945,0.4734939346172298,0.72521588650538,0.7717428551847029,0.5978556987183881
EOS-3-54379,Fc1cc(-c2ccnc(COc3cncc4nnc(-c5ccccc5)n34)c2)ncn1,JTXDPONEIVBTRE-UHFFFAOYSA-N,3,1,0.541,1,700,399.389,3.361,5,0.419,0.75,1.0,0.7261239805359468,0.6183177986429991,0.5866972791446782,0.5482146528682065,0.6198384277979576
EOS-3-54380,COc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nn4)n23)cc1Cl,UGPMKLUXRLZIRO-UHFFFAOYSA-N,3,1,0.321,52,582,498.934,3.865,6,0.374,0.81,1.0,0.3787608799945172,0.36372592694126515,0.16333698855458845,0.2403622095812487,0.2865465012679049
EOS-3-54381,Clc1cccc(Cl)c1-c1nnc(-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)s1,MFHAYRQSZYIIKR-UHFFFAOYSA-N,3,1,0.31,10,140,493.343,4.464,6,0.382,0.57,0.623,0.1573572750325543,0.40645774792680417,0.24900623672126654,0.4584332807895278,0.3178136351175382
EOS-3-54382,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4F)n23)cc1,MPMWMRMBHJSBHL-UHFFFAOYSA-N,3,1,0.512,48,646,395.825,3.534,4,0.573,0.86,1.0,0.3923737235282023,0.4515112055376602,0.817567336029059,0.7905301213076554,0.6129955966006442
EOS-3-54383,Fc1ccc(-c2cccc(-c3nnc4cncc(COc5ccncc5)n34)c2)nc1,HMJRNVMJULAANP-UHFFFAOYSA-N,3,1,0.417,14,189,398.401,3.966,5,0.446,0.85,1.0,0.5023644712494003,0.5234905078473031,0.7528099513398671,0.7333030635323144,0.6279919984922212
EOS-3-54384,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)o1,QCOKRBXQMQGSCI-UHFFFAOYSA-N,3,1,0.402,65,658,401.39,1.956,5,0.416,0.59,1.0,0.31976903570694265,0.1170156260708656,0.06342951134260846,0.046843944897539576,0.13676452950448909
EOS-3-54385,COc1ncc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1ccc(F)cn1,BEBZWXRRZPGZPP-UHFFFAOYSA-N,3,1,0.465,84,265,495.877,4.205,5,0.331,0.69,1.0,0.8468490850524296,0.8253546706874101,0.7528185182646837,0.7171544102528956,0.7855441710643547
EOS-3-54386,COc1ncc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)cc1-c1cnc(Cl)cn1,SMVSXUOLCFZKAR-UHFFFAOYSA-N,3,1,0.474,65,657,495.33,3.975,5,0.331,0.65,1.0,0.7046552669453773,0.6856024261531081,0.49944314988691657,0.4981666780892331,0.5969668802686587
EOS-3-54387,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)ccn1,UFFXMSCOHOWXMP-UHFFFAOYSA-N,3,1,0.562,75,183,401.455,3.592,5,0.444,0.64,1.0,0.48982249331779865,0.3345555479405113,0.31470598314029197,0.2580100747035844,0.3492735247755465
EOS-3-54388,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)nc2F)cc1F,TYWRRINBXKVICY-UHFFFAOYSA-N,3,1,0.421,59,607,485.376,4.226,5,0.209,0.58,0.999,0.7619337262696183,0.7147042697553286,0.9291086971420739,0.9152131450894387,0.8302399595641149
EOS-3-54389,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4Cl)n23)cn1,JWOJCJIDWLKTGI-UHFFFAOYSA-N,3,1,0.519,90,708,398.213,3.339,4,0.52,0.77,1.0,0.6558580631896375,0.8359433897608115,0.7480981426906997,0.8148687547118086,0.7636920875882394
EOS-3-54390,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ncc(F)c(F)c4C)n23)cc1,JQJGTGUVGMAXPH-UHFFFAOYSA-N,3,1,0.456,90,133,396.357,2.925,4,0.57,0.83,1.0,0.7379720375573984,0.4383866767185251,0.5931310396819958,0.41098965115482144,0.5451198512781852
EOS-3-54391,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)o5)c4)n23)n1,KKZWARXHXOFEPO-UHFFFAOYSA-N,3,1,0.537,4,43,399.414,3.432,5,0.443,0.77,1.0,0.3272308272222603,0.21330786101021176,0.2597148927421013,0.15863374683023782,0.2397218319512028
EOS-3-54392,Fc1cnccc1-c1nnc2cncc(OCc3cccc(-c4cncnn4)n3)n12,RJFIQIAOXNVFKM-UHFFFAOYSA-N,3,1,0.494,7,486,401.365,2.151,5,0.436,0.57,1.0,0.5355698718388048,0.5188815022959359,0.2999880063052567,0.29672400795010623,0.4127908470975259
EOS-3-54393,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cnn(C)n5)n34)ccn2)n(C)n1,UDSHXUICEJDXOE-UHFFFAOYSA-N,3,1,0.448,92,105,402.422,1.603,5,0.436,0.55,0.998,0.14343602220546914,0.09513570008909601,0.037480296072921665,0.017073881159618942,0.07328147488177644
EOS-3-54394,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)s4)n23)cn1)N1CCC(F)(F)C1,MXKDAUXVPLEFQT-UHFFFAOYSA-N,3,1,0.33,52,169,494.552,5.125,6,0.346,0.77,0.988,0.09116921389897882,0.1045336166129806,0.12405763827016654,0.31561407717085876,0.15884363648824618
EOS-3-54395,COc1ccc(-c2nnc3cncc(-c4cncc(-c5nc(CO)n[nH]5)c4)n23)cn1,YWJZPRLWSPSUFR-UHFFFAOYSA-N,3,1,0.304,82,859,401.39,1.534,5,0.448,0.69,0.999,0.3509954766636968,0.34938489479816326,0.1388441505037352,0.09469878692344597,0.23348082722226032
EOS-3-54396,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5cnn(C6CCOCC6)c5)nn4)n23)cc1,ZNWAPASFWLUKHQ-UHFFFAOYSA-N,3,1,0.27,98,890,494.523,2.383,7,0.354,0.58,1.0,0.0032468645055170994,0.007401823041600987,0.009809128915084642,0.02675450620245357,0.011803080666164074
EOS-3-54397,Cc1ccc(-c2ccc(Oc3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)c(Cl)c2)nn1,FDIDPSOKMNGGGZ-UHFFFAOYSA-N,3,1,0.418,30,553,492.93,5.459,6,0.312,0.75,1.0,0.5355784387636214,0.5990850524295799,0.5898670413268453,0.6017322321979303,0.5815656911794943
EOS-3-54398,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)cc1,QYHHGLZVTMIUBG-UHFFFAOYSA-N,3,1,0.512,92,399,398.43,2.869,5,0.449,0.79,1.0,0.35814885888561443,0.29023027893907205,0.30374031937495716,0.22888253032691386,0.2952504968816394
EOS-3-54399,Cc1cnc(-c2nnc3cncc(OCc4cnnc(-c5cncn5C)c4)n23)cn1,HOECOOKSWCAFSG-UHFFFAOYSA-N,3,1,0.433,7,828,400.406,1.659,5,0.433,0.64,0.984,0.30965149749845794,0.10454218353779728,0.0802635186073607,0.05336337468302378,0.13695514358165992
EOS-3-54400,COc1cc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1ccc(C#N)cn1,LVCJVSOUXDSWKK-UHFFFAOYSA-N,3,1,0.478,13,209,489.322,5.833,5,0.306,0.71,1.0,0.8869679939688849,0.8760879994517168,0.947467617024193,0.9429014460969091,0.913356264135426
EOS-3-54401,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccccn5)ncc4Cl)n23)cc1,ZUHGPXNERQAHJU-UHFFFAOYSA-N,3,1,0.505,56,415,496.922,3.671,6,0.34,0.68,1.0,0.502373038174217,0.5324600781303543,0.18583373312315812,0.21137173600164486,0.35800964635734356
EOS-3-54402,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,IBDQAPPXBVMHMM-UHFFFAOYSA-N,3,1,0.441,65,822,399.418,1.998,5,0.426,0.72,1.0,0.42329175519155643,0.17288910972517305,0.15684325954355424,0.1233465835103831,0.2190926769926667
EOS-3-54403,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccc(Cl)c5F)n34)nc2F)nc1,WOMWRFJJZLNIJA-UHFFFAOYSA-N,3,1,0.429,73,665,487.804,4.432,5,0.206,0.65,1.0,0.8889212528270852,0.8705451990953328,0.9124117606743883,0.9247309985607566,0.8991523027893907
EOS-3-54404,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)[nH]n1,MLAKNSRLPQXXIU-UHFFFAOYSA-N,3,1,0.457,20,658,399.418,2.296,5,0.462,0.72,1.0,0.47500171338496333,0.4515197724624769,0.12970324172435063,0.09663491193201289,0.28821490987595094
EOS-3-54405,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ncc(F)cn5)cn4)n23)nc1,AFQKZDRONSMTBM-UHFFFAOYSA-N,3,1,0.362,85,260,398.405,3.077,5,0.459,0.76,1.0,0.3299636762387773,0.305265231992324,0.2855099033650881,0.28764306764443837,0.30209546981015695
EOS-3-54406,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCN(C(F)(F)F)CC5)cc4)n23)s1,LOZRHRGHLGKTJR-UHFFFAOYSA-N,3,1,0.36,0,825,501.494,2.896,5,0.431,0.86,0.982,0.09819409224864642,0.07535467068741004,0.05385168939757385,0.14091734630936878,0.09207944966074977
EOS-3-54407,Fc1cc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)c1,LDMVSOWCVOSMIQ-UHFFFAOYSA-N,3,1,0.461,13,236,471.801,5.855,5,0.187,0.72,1.0,0.9040161743540539,0.9459855390309094,0.9921869645671989,0.9952967582756493,0.9593713590569528
EOS-3-54408,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5c[nH]cn5)c4)n23)ccn1,BXXMCCYRIZUGOM-UHFFFAOYSA-N,3,1,0.56,15,438,401.405,3.337,5,0.439,0.61,1.0,0.8670498937701323,0.6466229182372696,0.6321876499211843,0.5958553217736962,0.6854289459255705
EOS-3-54409,Cc1cnc(COc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)cn1,SNAZPQGDAXGZSV-UHFFFAOYSA-N,3,1,0.488,92,815,398.43,2.869,5,0.449,0.79,1.0,0.2667397710917689,0.15314234802275375,0.3147145500651086,0.21703447330546227,0.2379077856212734
EOS-3-54410,Cn1c(COc2cncc3nnc(-c4cc(-c5cccnn5)ccc4F)n23)cnc1C#Cc1cocn1,POGIGFJBYUVFQD-UHFFFAOYSA-N,3,1,0.44,71,247,493.462,3.088,6,0.333,0.54,1.0,0.48726954972243164,0.527979576451237,0.45809060379686106,0.36985127818518265,0.4607977520389281
EOS-3-54411,CCc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4ccc(F)cn4)nc3)n12,WIRYKDGIKLNQJA-UHFFFAOYSA-N,3,1,0.329,50,974,400.421,3.35,5,0.46,0.68,0.997,0.17075594544582276,0.25398362003975056,0.26688540881365225,0.284970187101638,0.2441487903502159
EOS-3-54412,Cn1cc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nn1,CLNMJKIBAPIRSX-UHFFFAOYSA-N,3,1,0.538,65,349,399.418,1.998,5,0.426,0.74,1.0,0.40307381262422043,0.17289767664998973,0.1793742718113906,0.14574909190596944,0.22527371324789253
EOS-3-54413,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(Cl)c(Cl)c5)n34)c2)cs1,PERRXDYHHWDHHL-UHFFFAOYSA-N,3,1,0.675,59,11,486.359,6.248,5,0.294,0.83,1.0,0.9173805770680556,0.8788808169419505,0.9363306147625249,0.947570420121993,0.920040607223631
EOS-3-54414,Fc1cc(-c2cc(Cc3cncc4nnc(-c5ccc(Cl)cn5)n34)cc(C(F)(F)F)c2)ccn1,DJEUXFQGBPDCBQ-UHFFFAOYSA-N,3,1,0.354,14,315,484.844,5.65,5,0.243,0.66,1.0,0.4776488931533137,0.6183263655678157,0.9940888218764992,0.9932578301692825,0.7708304776917279
EOS-3-54415,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(C)o5)n4)n23)cc1,MFXJVHWOHUYSMK-UHFFFAOYSA-N,3,1,0.543,89,268,399.414,3.432,5,0.443,0.74,1.0,0.47765746007813037,0.3493934617229799,0.18261256939209103,0.14092591323418546,0.2876473511068467
EOS-3-54416,O=C(c1ccc(-c2cncc3nnc(-c4ccc(F)cc4-c4cccc(F)c4)n23)nn1)N1CCOCC1,LBOFESORSLSJRA-UHFFFAOYSA-N,3,1,0.398,62,229,499.481,3.666,6,0.372,0.81,1.0,0.10806318963744774,0.11702419299568227,0.07168802686587622,0.2938026865876225,0.14764452402165718
EOS-3-54417,Cc1ccc(-c2ccc(-c3cncc4nnc(-c5cnc(C)nc5)n34)c(F)c2)nn1,LRJCCHUYCNVDJS-UHFFFAOYSA-N,3,1,0.321,82,478,398.405,3.461,5,0.459,0.77,0.998,0.28296552669453773,0.3687204441093825,0.4788396957028305,0.44580563360975944,0.3940828250291275
EOS-3-54418,Cn1cc(CCOc2cncc3nnc(-c4cccc(-c5cnnn5C)c4)n23)cn1,FUGFAMYXKORXLH-UHFFFAOYSA-N,3,1,0.55,15,460,401.434,1.942,5,0.428,0.59,1.0,0.30451134260845725,0.22871975875539716,0.13552875059968475,0.10286306627373039,0.1929057295593174
EOS-3-54419,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cnn(C)c6)ccc5F)n34)cn2)n(C)n1,NMKNKHRRJGQJQY-UHFFFAOYSA-N,3,1,0.442,6,549,495.522,4.014,6,0.344,0.66,1.0,0.5406586251799054,0.49628195462956615,0.5606366938523748,0.4458142005345761,0.5108478685491056
EOS-3-54420,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)cn1,NHFVNYWHMHOEAR-UHFFFAOYSA-N,3,1,0.582,68,127,397.345,2.197,4,0.529,0.77,1.0,0.5727845932424097,0.33954149818381196,0.527337057089987,0.360093550818998,0.44993917483380164
EOS-3-54421,Fc1ccc(-c2ccncc2)cc1-c1nnc2cncc(OCc3cnc(F)c(-c4ccccc4)n3)n12,MISSPZOYFQOJDJ-UHFFFAOYSA-N,3,1,0.462,41,177,493.477,5.168,6,0.316,0.72,1.0,0.6238263313001166,0.705511959427044,0.7849787540264547,0.7928517579329724,0.726792200671647
EOS-3-54422,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ncccc5F)n34)cc2)nc1,AVRAJUSDWDLPLJ-UHFFFAOYSA-N,3,1,0.476,13,374,399.389,3.883,5,0.453,0.75,1.0,0.7078507299019944,0.6807278459324241,0.44370673702967584,0.4332293879788911,0.5663786752107464
EOS-3-54423,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nc(C)n[nH]5)nc4)n23)ncn1,QLVADDKHWBTYCL-UHFFFAOYSA-N,3,1,0.408,7,185,400.406,1.957,5,0.47,0.65,1.0,0.32997224316359397,0.3104653553560414,0.06743026523199232,0.03577547803440477,0.1859108354465081
EOS-3-54424,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C5CCCC5=O)nn4)n23)cc1,QSEKGFVAMOQROQ-UHFFFAOYSA-N,3,1,0.379,0,546,399.414,2.184,5,0.557,0.61,1.0,0.17627304502775684,0.08233671441299431,0.01962682475498595,0.052138304434240286,0.08259372215749435
EOS-3-54425,Cc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cnn(C)c5)n34)c2)cn1,RCCOBOJUPZOMDU-UHFFFAOYSA-N,3,1,0.391,7,720,399.418,2.264,5,0.443,0.7,1.0,0.22081248714961277,0.09183743403467891,0.16956514289630595,0.10076416969364677,0.1457448084435611
EOS-3-54426,Cc1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncn5C)n4)n23)cn1,TZUKFVNZSMLOHO-UHFFFAOYSA-N,3,1,0.484,7,185,399.418,2.264,5,0.443,0.7,1.0,0.4030823795490371,0.2441230895757659,0.10993077924748132,0.06707045438969228,0.20605167569049415
EOS-3-54427,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)cc(-c6cccnn6)n5)n34)c2)nc1,FZERFDUXYJVGSZ-UHFFFAOYSA-N,3,1,0.429,6,414,496.441,3.353,6,0.338,0.62,0.999,0.5098091289150847,0.42936570488657394,0.3928020697690357,0.3922452196559523,0.43105553080666165
EOS-3-54428,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnn5Cc5ccccn5)cnn4)n23)cc1,NAVNFEVMSCURHW-UHFFFAOYSA-N,3,1,0.521,81,218,495.934,4.121,6,0.325,0.68,1.0,0.5228651223356864,0.7238623123843465,0.4216469056267562,0.47090672332259614,0.5348202659173463
EOS-3-54429,Cc1cnc(-c2nnc3cncc(OCc4cncc(-c5ccn(C)n5)n4)n23)cn1,CLHOWPUYTRVRBW-UHFFFAOYSA-N,3,1,0.359,7,828,400.406,1.659,5,0.433,0.63,1.0,0.23750942361729832,0.09514426701391268,0.046672606401206226,0.026763073127270234,0.10152234253992186
EOS-3-54430,OCc1nc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)n1,XPZXUEWBEBOJQD-UHFFFAOYSA-N,3,1,0.443,18,578,495.33,3.459,5,0.338,0.6,1.0,0.5810602426153109,0.5465184017545062,0.4288431224727572,0.5016705503392502,0.514523079295456
EOS-3-54431,Cc1ncc(-c2cc(-c3nnc4cncc(CCc5cccnc5)n34)ccn2)s1,BWSQXARRNFXFCC-UHFFFAOYSA-N,3,1,0.376,85,580,399.483,3.798,5,0.447,0.8,1.0,0.12422040984168323,0.10137242135563018,0.17938283873620725,0.1801966965937907,0.14629309163182783
EOS-3-54432,COCc1ncc(-c2nnc3cncc(-c4ccc(-c5cnnn5C)cn4)n23)cn1,PGKGQVVTLRNCJN-UHFFFAOYSA-N,3,1,0.277,50,489,400.406,1.585,5,0.433,0.63,1.0,0.06945205948872593,0.06802994996915906,0.061536220958124874,0.04817181824412309,0.061797512165033236
EOS-3-54433,N#CCc1nc(-c2ccccn2)cc(-c2cncc3nnc(-c4ccc(C(=O)NCCF)c(F)c4)n23)n1,VJSKXFOEJIBRML-UHFFFAOYSA-N,3,1,0.319,74,802,497.469,3.215,5,0.362,0.67,1.0,0.2829740936193544,0.19444349256390925,0.31080803234870813,0.30292646151737374,0.2727880200123364
EOS-3-54434,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5ccccc5F)n34)ccn2)cn1,URHVQHLKXNKCJM-UHFFFAOYSA-N,3,1,0.483,24,110,399.389,3.883,5,0.453,0.75,1.0,0.6293605647316839,0.6414570625728189,0.5742838050853266,0.5383712562538551,0.5958681721609211
EOS-3-54435,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)n(C)n1,WUAXEUCXOZJWEV-UHFFFAOYSA-N,3,1,0.46,31,662,399.418,2.264,5,0.443,0.71,0.998,0.1990096634911932,0.09515283393872935,0.07597148927421013,0.05079329723802344,0.10523182098553903
EOS-3-54436,Clc1cnc(COc2cncc3nnc(-c4cccnc4-c4ccccn4)n23)cc1-c1cccnn1,AKBBWIJOELBWDM-UHFFFAOYSA-N,3,1,0.516,28,297,493.918,4.333,6,0.334,0.6,0.884,0.4999485984511,0.6038482626276471,0.4179374271811391,0.45519498320882734,0.4942323178671784
EOS-3-54437,COc1ccc(-c2ccc(-c3cncc4nnc(-c5nc(-c6ncc(F)cn6)ccc5F)n34)cn2)nn1,AMXFDMRFBXEAAM-UHFFFAOYSA-N,3,1,0.257,70,902,496.441,3.449,6,0.35,0.62,1.0,0.5098176958399013,0.5556507436090741,0.29999657323007334,0.2967325748749229,0.4155493968884929
EOS-3-54438,Cc1ccc(-c2nnc3cncc(OCc4ccnc(C5=CCCOC5)c4)n23)nc1,XQCHYPAOYKWDBA-UHFFFAOYSA-N,3,1,0.411,63,457,400.442,3.272,5,0.508,0.65,1.0,0.34427900760742924,0.052720855321773695,0.15080357754780344,0.12335515043519978,0.16778964772805152
EOS-3-54439,Brc1cc(-c2nnc3cncc(-c4ccc(-c5nc[nH]n5)nc4)n23)ccc1-c1ccccn1,YHNFMOIXFFWHQN-UHFFFAOYSA-N,3,1,0.333,32,693,496.332,4.463,6,0.384,0.64,1.0,0.2589181687341512,0.32527756836406,0.4994517168117333,0.5284935919402372,0.40303526146254537
EOS-3-54440,Cc1ncc(-c2nnc3cncc(Cc4ccc(-c5nnc(C)s5)cn4)n23)cn1,VZNFSDPCQXTCLE-UHFFFAOYSA-N,3,1,0.321,85,60,401.459,2.702,5,0.452,0.58,1.0,0.06542560482489206,0.08892467959701186,0.037488862997738334,0.028759166609553834,0.05514957850729902
EOS-3-54441,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)cn1,JZHRRMOGUWHKFQ-UHFFFAOYSA-N,3,1,0.452,65,510,399.418,1.998,5,0.426,0.7,1.0,0.497241450209033,0.32528613528887673,0.048231786717839766,0.03676067438832157,0.22688001165101776
EOS-3-54442,Cn1cncc1-c1cncc(-c2nnc3cncc(OCCc4cncnn4)n23)c1,GPPPBOJPQBAJLL-UHFFFAOYSA-N,3,1,0.417,65,905,400.406,1.393,5,0.416,0.67,1.0,0.40967034473305464,0.1646220272770886,0.08264512370639435,0.07456651360427662,0.18287600233020354
EOS-3-54443,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCC5CCCN5C)cc4OC)n23)cc1,GCWFEKRJSRSTHM-UHFFFAOYSA-N,3,1,0.312,0,862,499.575,2.65,5,0.402,0.75,0.999,0.1242289767664999,0.008181413199917758,0.061544787882941536,0.04174662463162223,0.05892545062024536
EOS-3-54444,Cn1nnc(-c2ncc(-c3cncc4nnc(-c5ccc(C#N)cn5)n34)cc2F)n1,NMYNXMZKPQQYAM-UHFFFAOYSA-N,3,1,0.291,50,286,399.353,1.45,5,0.441,0.7,0.887,0.15982454937975465,0.21331642793502845,0.1297118086491673,0.19925810431087657,0.17552772256870675
EOS-3-54445,COc1ncc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)cc1-c1cccc(Cl)c1,DTHSVLIQRRKACL-UHFFFAOYSA-N,3,1,0.489,87,657,494.342,4.58,5,0.324,0.65,1.0,0.7169059694332123,0.742495373860599,0.5639949283805086,0.5958638886985128,0.6548150400932082
EOS-3-54446,O=C(NC1CC1)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(-c5cccnn5)n4)n23)cc1F,KWVZNOKXDQECKJ-UHFFFAOYSA-N,3,1,0.369,52,916,498.497,3.599,6,0.365,0.7,1.0,0.27726852169145366,0.2849102186279213,0.22035844013432937,0.32793331505722706,0.27761762387773287
EOS-3-54447,Cc1cnnc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cc2F)n1,PQBWMCCYDSIMJA-UHFFFAOYSA-N,3,1,0.361,85,306,499.485,3.108,6,0.378,0.72,1.0,0.16272873689260503,0.20846754848879445,0.18584230004797478,0.2641611267219519,0.20529992803783154
EOS-3-54448,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nncnc4-c4ccc(Cl)cc4)n23)cn1,NAEWTKVABYIJME-UHFFFAOYSA-N,3,1,0.438,6,843,496.922,3.671,6,0.34,0.68,1.0,0.5148636145569186,0.589901309026112,0.25272428209170034,0.30638749914330754,0.4159691762045097
EOS-3-54449,Cn1nncc1-c1ccc(F)c(-c2nnc3cncc(OCCc4ccnc(Br)c4)n23)c1,RNVXGDVNMYSYMH-UHFFFAOYSA-N,3,1,0.557,37,626,495.316,3.505,5,0.333,0.6,1.0,0.6351689397573846,0.6613922966212048,0.5273456240148037,0.5082328147488178,0.5830349187855527
EOS-3-54450,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cncnc5-c5cccnc5)n34)ncn2)cn1,SWQXBNJSALKMGG-UHFFFAOYSA-N,3,1,0.364,80,280,494.906,3.728,6,0.315,0.62,0.933,0.6438986361455692,0.5743866081831266,0.4074515112055377,0.4206617092728394,0.5115996162017682
EOS-3-54451,COc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(OCCc3cc(Cl)c(F)cn3)n12,PVPLVXMMBLWTHB-UHFFFAOYSA-N,3,1,0.495,88,275,494.889,4.81,5,0.321,0.7,1.0,0.8445360153519292,0.8496504694674799,0.7804554177232541,0.7741758618326365,0.812204441093825
EOS-3-54452,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1-c1ccc(F)cn1,UGLROITXJRENHQ-UHFFFAOYSA-N,3,1,0.625,84,360,494.889,4.81,5,0.321,0.7,1.0,0.9316787745870743,0.9037934343088205,0.8651823041600987,0.8367658145432115,0.8843550818998012
EOS-3-54453,COc1ncc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)cc1-c1ccccc1,PJXFWEAYYAFKND-UHFFFAOYSA-N,3,1,0.548,35,657,493.354,5.185,5,0.309,0.73,1.0,0.8253375368377767,0.809754300596258,0.722662942910013,0.7436776094852992,0.7753580974573366
EOS-3-54454,Cc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(CO)cn5)n34)nc2)nn1C,JYTZPEMREYSJGF-UHFFFAOYSA-N,3,1,0.264,50,974,399.418,1.845,5,0.486,0.66,1.0,0.061964567198958265,0.06441470769652526,0.1072236310054143,0.07457508052909327,0.07704449660749776
EOS-3-54455,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5nsc(-c6cccs6)n5)n34)s2)nc1,BAMPUUGOLVNTAM-UHFFFAOYSA-N,3,1,0.383,80,34,494.562,4.608,6,0.331,0.69,1.0,0.38569152217120145,0.3252947022136934,0.05576211363169077,0.08174559660064423,0.21212348365430744
EOS-3-54456,Fc1ccc(F)c(-c2ccc(-c3cncc4nnc(-c5cc(F)c(Cl)c(F)c5)n34)cn2)c1F,WKKMAOXEBZCTTI-UHFFFAOYSA-N,3,1,0.342,45,102,473.792,5.869,5,0.187,0.73,1.0,0.47256870673702966,0.8097628675210746,0.9958793091631828,0.9988177643752998,0.8192571619491467
EOS-3-54457,Fc1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccnc(F)c6)cn5)n34)nc2)cn1,XVRVRMIZTMOJGR-UHFFFAOYSA-N,3,1,0.385,41,518,495.453,3.958,6,0.317,0.63,1.0,0.6238348982249332,0.632067712973751,0.6560208347611541,0.6228411349461997,0.6336911452265095
EOS-3-54458,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5cnc(C)o5)n34)c2)nc1,VGUNAVQXNCCZPL-UHFFFAOYSA-N,3,1,0.571,2,131,400.402,2.827,5,0.439,0.67,1.0,0.4371187718456583,0.23888869851278186,0.1355373175245014,0.08003221163731067,0.22289424988006304
EOS-3-54459,NC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)nc1,IYAZXZPIUJSERQ-UHFFFAOYSA-N,3,1,0.462,90,473,397.345,1.58,4,0.524,0.74,1.0,0.4303252004660407,0.11122438489479816,0.3589884175176479,0.3029350284421904,0.3008682578301693
EOS-3-54460,CCN=c1nc(-c2nc(C)ncc2-c2cncc3nnc(-c4ccc(Cl)c(OC)c4)n23)cc[nH]1,ZLOJGEQWGHDDFC-UHFFFAOYSA-N,3,1,0.284,82,336,473.928,3.529,5,0.414,0.38,0.981,0.29400829278322255,0.284918785552738,0.22369954081282983,0.1772668083064903,0.24497335686382019
EOS-3-54461,Cc1nnc(-c2cccc(-c3nnc4cncc(OCCc5nc(Cl)sc5Cl)n34)c2)s1,UPVGFRXGTDVUGH-UHFFFAOYSA-N,3,1,0.506,72,628,490.401,5.003,5,0.331,0.59,1.0,0.6866133232814748,0.7596806250428346,0.12972037557398397,0.237543691316565,0.4533895038037146
EOS-3-54462,O=C(c1ccc(-c2nnc3cncc(-c4cccc(-c5cccnn5)n4)n23)cc1)N1CCC(F)(F)CC1,DHXFZEOKIWIULC-UHFFFAOYSA-N,3,1,0.364,52,423,498.497,4.182,6,0.366,0.75,1.0,0.07958673154684394,0.07536323761222671,0.09688335275169625,0.2611455691864848,0.12824472277431292
EOS-3-54463,Clc1ccc(COc2cncc3nnc(-c4cc(-c5cnccn5)cnc4-c4ccccc4)n23)nn1,OCLFZFOJDAJRCU-UHFFFAOYSA-N,3,1,0.432,28,797,493.918,4.333,6,0.334,0.6,0.993,0.5355870056884381,0.560705229250908,0.40746007813035434,0.45520355013364405,0.48973896580083615
EOS-3-54464,CCc1cnc(-c2cncc3nnc(-c4ccc(-c5cnc(F)cn5)cc4)n23)nc1,VOGHWBQBNZLQGV-UHFFFAOYSA-N,3,1,0.382,50,856,398.405,3.407,5,0.458,0.76,1.0,0.28032691385100406,0.4249880063052567,0.3629977383318484,0.3505071619491467,0.35470495510931394
EOS-3-54465,Cc1cnc(-c2cccc(-c3nnc4cncc(-c5ncc(F)c(C)n5)n34)c2)cn1,ITEZGRQPVOYSPL-UHFFFAOYSA-N,3,1,0.321,50,261,398.405,3.461,5,0.459,0.75,1.0,0.27223973682406966,0.2902388458638887,0.3072099239257076,0.2938112535124392,0.29087494003152625
EOS-3-54466,Cc1nc(-c2ccc(F)c(Cl)c2)c(-c2nnc3cncc(-c4cn(-c5ccccc5)cn4)n23)s1,UOOXTSJUBPKLOB-UHFFFAOYSA-N,3,1,0.303,30,298,487.951,5.868,6,0.311,0.65,0.935,0.06741313138235899,0.20847611541361113,0.6263107394969502,0.7412703036118155,0.41086757247618394
EOS-3-54467,CCn1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1-c1ccc(F)cc1,ZSGXHHFOEWCWIQ-UHFFFAOYSA-N,3,1,0.495,12,427,491.53,5.455,6,0.295,0.73,1.0,0.5783102597491604,0.5796724007950106,0.6147796586937153,0.6110359125488315,0.5959495579466795
EOS-3-54468,Cc1cccc(COc2cncc3nnc(-c4cc(-c5cncn5C)ccn4)n23)n1,OYWIRKPRXMNBIN-UHFFFAOYSA-N,3,1,0.422,7,211,398.43,2.869,5,0.449,0.79,1.0,0.19332979233774245,0.07537180453704338,0.25972345966691796,0.17458536083887327,0.17575260434514428
EOS-3-54469,N#Cc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c(Cl)c1,RZVHWMVIEAVDBN-UHFFFAOYSA-N,3,1,0.612,57,798,491.313,5.75,5,0.311,0.75,1.0,0.9804588444931808,0.9832944966074978,0.9734510999931465,0.9827547803440477,0.9799898053594682
EOS-3-54470,Cc1ccc(-c2cc(-c3nnc4cncc(Cc5ccc(Cl)nc5)n34)nc(C)n2)c(OC(F)F)n1,FHOMVUNVFMYSIL-UHFFFAOYSA-N,3,1,0.321,85,500,494.893,4.501,5,0.318,0.7,0.34,0.5406671921047221,0.6270731958056336,0.6321962168460009,0.5772822287711603,0.5943047083818792
EOS-3-54471,Cc1ccncc1-c1cc(-c2nnc3cncc(OCc4ccc(CN5CCCC5)nc4)n23)ccc1F,LZLIIDGYCADSPT-UHFFFAOYSA-N,3,1,0.505,89,253,495.562,4.871,6,0.319,0.77,0.997,0.36958570351586595,0.2539921869645672,0.1446953601535193,0.3095915290247413,0.26946619491467344
EOS-3-54472,Oc1ccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6cc7ncccc7nn6)n5)n34)nc2)cc1,HXSTULBZQQBKJV-UHFFFAOYSA-N,3,1,0.259,32,93,495.506,4.626,7,0.372,0.62,0.55,0.1933383592625591,0.1380388595709684,0.440142896305942,0.47978205743266394,0.31282554314303335
EOS-3-54473,COC1(C)CCC(n2ncnc2-c2cncc3nnc(-c4ccc(-c5nc(C)no5)c(F)c4)n23)CC1,LFASAGBWUKJBRN-UHFFFAOYSA-N,3,1,0.284,78,792,489.515,4.068,6,0.359,0.5,0.872,0.3149201562607087,0.2797015283393873,0.012559111781235009,0.07458364745390994,0.17044111095881026
EOS-3-54474,Fc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(Cl)cc4)n23)cc1,QSUUUTMZGVRCHX-UHFFFAOYSA-N,3,1,0.448,83,472,401.832,5.313,5,0.384,0.85,1.0,0.4256990610650401,0.7238708793091632,0.9486755534233432,0.9681053389075458,0.7665877081762731
EOS-3-54475,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc1,ZPZXEZYGWVQWCR-UHFFFAOYSA-N,3,1,0.556,90,555,396.357,2.403,4,0.521,0.84,1.0,0.7903673497361388,0.4064663148516209,0.6886693852374751,0.5250068535398533,0.6026274758412721
EOS-3-54476,COc1ncc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1-c1cccc(F)c1,MXQRUQFRPKCFHB-UHFFFAOYSA-N,3,1,0.479,37,132,495.877,4.205,5,0.331,0.67,1.0,0.7588239325611679,0.8464293057364128,0.6589078884243712,0.6690339935576726,0.733298780069906
EOS-3-54477,Cc1cc(COc2cncc3nnc(-c4cccc(-c5ncc(C)o5)c4)n23)n(C)n1,AZWZBOGXSMQKST-UHFFFAOYSA-N,3,1,0.455,4,506,401.43,3.376,5,0.445,0.61,1.0,0.26674833801658554,0.15696319649098758,0.1793914056610239,0.10077273661846343,0.1759689191967651
EOS-3-54478,Cc1ncc(-c2cccc(COc3cncc4nnc(-c5cnn(C)c5)n34)n2)nn1,QLPPTQCUMALBIY-UHFFFAOYSA-N,3,1,0.461,92,105,400.406,1.659,5,0.433,0.61,1.0,0.08375882393256116,0.011471112329518196,0.05185559591529025,0.03264855047632102,0.044933520663422655
EOS-3-54479,CCc1ccc(-c2nnc3cncc(-c4cc(-c5cncc(F)c5)cnn4)n23)nc1,UZXRVXAFQUEJKO-UHFFFAOYSA-N,3,1,0.262,50,432,398.405,3.407,5,0.458,0.78,0.982,0.2616595846754849,0.28492735247755463,0.4859245425262148,0.4919299568226989,0.3811103591254883
EOS-3-54480,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nn5)ncn4)n23)cc1,MVULCDVSYNATDU-UHFFFAOYSA-N,3,1,0.512,36,463,399.418,2.264,5,0.443,0.69,1.0,0.2803354807758207,0.279710095264204,0.1538020012336372,0.1187204441093825,0.2081420053457611
EOS-3-54481,COc1ncc(-c2cncc3nnc(-c4cnc(-c5cc(C)nn5C)nc4)n23)cn1,KVBBRXDLYHWIGS-UHFFFAOYSA-N,3,1,0.304,50,489,400.406,1.756,5,0.444,0.63,1.0,0.19901823041600986,0.04895997532725653,0.03104653553560414,0.011753820848468233,0.07269464053183469
EOS-3-54482,Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccccc5F)n34)c2)cn1,ACVTVUNENLVQRS-UHFFFAOYSA-N,3,1,0.433,13,995,399.389,3.883,5,0.453,0.74,1.0,0.607077993283531,0.6320762798985676,0.6237492289767665,0.5867658145432115,0.6124173291755192
EOS-3-54483,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)cc2Cl)ncn1,NNPFJIATDKQCLF-UHFFFAOYSA-N,3,1,0.483,13,145,483.746,6.309,5,0.298,0.67,1.0,0.8172931944349257,0.8675724761839491,0.9393033376739086,0.9591957370982113,0.8958411863477487
EOS-3-54484,Cn1ncc(-c2cc(F)nc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)cc1=O,WLRIKDXLMIOLKS-UHFFFAOYSA-N,3,1,0.538,84,308,495.877,3.5,5,0.332,0.63,1.0,0.5727931601672264,0.40192584469878695,0.7550202179425674,0.7694383524090193,0.6247943938043999
EOS-3-54485,Cc1cc(COc2cncc3nnc(-c4cccc(-c5cnncn5)c4)n23)n(C)n1,WVCKMGQEJOOFHT-UHFFFAOYSA-N,3,1,0.446,36,506,399.418,2.264,5,0.443,0.7,1.0,0.2884226578027551,0.17290624357480638,0.1633455554794051,0.1164844767322322,0.1852897333972997
EOS-3-54486,COc1cc(-c2nccn2C)ccc1-c1nnc2cncc(OCCc3ccnc(C(F)(F)F)n3)n12,ZOSMMVMJQMDHAK-UHFFFAOYSA-N,3,1,0.49,15,771,496.453,3.631,5,0.336,0.63,1.0,0.692464532931259,0.6135288876704817,0.6475567130422863,0.37960043862655063,0.5832876430676445
EOS-3-54487,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)o1,PNCVZULBCQNROI-UHFFFAOYSA-N,3,1,0.494,65,778,400.402,2.561,5,0.424,0.66,1.0,0.477666027002947,0.20361866904256049,0.15685182646837093,0.12554828318826675,0.24092120142553627
EOS-3-54488,Cc1ccc(-c2nnc3cncc(-c4nc(C(F)F)cc(=O)n4CCc4ccc(F)c(F)c4)n23)cn1,ZQGUIZFCDLJCBC-UHFFFAOYSA-N,3,1,0.436,96,315,495.44,4.177,5,0.329,0.68,0.987,0.4096789116578713,0.5465269686793228,0.7617452539236516,0.7669025426632856,0.6212134192310328
EOS-3-54490,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)c(C)c5)nc4)n23)cn1,DBSVNEDZMMFDOF-UHFFFAOYSA-N,3,1,0.302,82,336,399.433,4.184,5,0.453,0.74,1.0,0.13797032417243507,0.25400075388938387,0.6351689397573846,0.6047135220341306,0.40796338496333356
EOS-3-54491,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccccn5)c4)n23)cc1,DNGKFUSUGNYWLR-UHFFFAOYSA-N,3,1,0.6,97,232,398.401,3.966,5,0.446,0.81,1.0,0.9567113289013776,0.8839952710575012,0.7689329038448358,0.7592351449523679,0.8422186621890206
EOS-3-54492,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5nc(-c6cccnc6)cs5)n34)nc(C)n2)cn1,PNSSIACZEKCTCJ-UHFFFAOYSA-N,3,1,0.404,6,843,494.544,3.753,6,0.337,0.57,1.0,0.3017613597423069,0.22872832568021384,0.07169659379069289,0.052146871359056955,0.16358328764306765
EOS-3-54493,Cc1ncc(-c2nnc3cncc(OCc4cncc(-c5cnn(C)c5)n4)n23)cn1,HNQLIYOZHSQMFG-UHFFFAOYSA-N,3,1,0.385,92,535,400.406,1.659,5,0.433,0.61,1.0,0.23189808786238092,0.12411760674388321,0.08528373654992803,0.046852511822356245,0.1220379857446371
EOS-3-54494,CCc1nc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,ALWWBGNZOANQKD-UHFFFAOYSA-N,3,1,0.649,90,400,397.841,4.163,4,0.488,0.83,1.0,0.960283736549928,0.983028921938181,0.6058614899595641,0.6661555068192722,0.8038324138167363
EOS-3-54495,CCn1c(-c2cc(-c3nnc4cncc(OCc5sc(F)cc5Cl)n34)ccc2F)cnc1C,MEIPZRISUHJTOZ-UHFFFAOYSA-N,3,1,0.436,26,911,486.935,5.555,5,0.314,0.59,1.0,0.6128178329106984,0.6856109930779247,0.717300047974779,0.7251816188061133,0.6852276231923788
EOS-3-54496,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccc2F)c(C)c(C)n1,FPIITSHXADGUEI-UHFFFAOYSA-N,3,1,0.516,11,141,488.954,5.588,5,0.31,0.61,0.999,0.9266756904941402,0.939526077719142,0.755028784867384,0.7007658830786101,0.830499109039819
EOS-3-54497,Cc1cncc(-c2cncc(-c3nnc4cncc(OCc5ncnn5C)n34)c2)c1,CMMRLDORBXXJPP-UHFFFAOYSA-N,3,1,0.4,2,36,399.418,2.264,5,0.443,0.69,1.0,0.28843122472757177,0.15697176341580427,0.12147042697553287,0.10287163319854704,0.167436262079364
EOS-3-54498,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5cncn5C)c4)n23)nn1,WXIKVPZYDZXMKB-UHFFFAOYSA-N,3,1,0.471,92,587,399.418,2.264,5,0.443,0.69,1.0,0.23482797614968132,0.12039099444863272,0.1417654718662189,0.08885614419847851,0.14646014666575286
EOS-3-54499,Cn1nc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)cn5)n34)n2)c(Cl)cc1=O,ODNVJEYXOGVFLZ-UHFFFAOYSA-N,3,1,0.28,76,387,494.906,3.119,6,0.362,0.56,0.364,0.2559540127475841,0.29024741278870536,0.18262113631690768,0.25801864162840105,0.24671030087039955
EOS-3-54500,c1ccc(-c2csc(-n3ncc(-c4cncc5nnc(-c6ccc(-c7cocn7)cn6)n45)n3)n2)cc1,RUQCWDODYNBQHM-UHFFFAOYSA-N,3,1,0.262,30,93,490.512,4.213,7,0.349,0.46,1.0,0.03804571311082174,0.04896854225207319,0.10195497224316359,0.1457576588307861,0.08368172160921115
EOS-3-54501,Clc1cc(-c2cnco2)ccc1-c1cncc2nnc(-c3ccc(-c4ccsc4)s3)n12,BSLSGRPKPWGRKI-UHFFFAOYSA-N,3,1,0.291,42,174,461.959,6.557,6,0.297,0.63,0.887,0.2722483037488863,0.3540624357480639,0.7781680487972038,0.8367743814680282,0.5603132924405456
EOS-3-54502,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ncc4Cl)n23)cc1,QGLIQEWZAHWOFR-UHFFFAOYSA-N,3,1,0.458,89,707,499.922,3.163,6,0.358,0.79,1.0,0.5536803509012405,0.4019344116236036,0.2237081077376465,0.28183469261873756,0.36528939072030703
EOS-3-54503,Cc1cc(COc2cncc3nnc(-c4cncc(-c5cn(C)cn5)c4)n23)n(C)n1,GOUYJXPYSGFZMC-UHFFFAOYSA-N,3,1,0.398,92,662,401.434,2.208,5,0.445,0.58,1.0,0.21826811047906244,0.14926153108080323,0.12972894249880063,0.07060002741415941,0.14196465286820642
EOS-3-54504,Fc1ccccc1COc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,CZZRNKYGFZGTDX-UHFFFAOYSA-N,3,1,0.537,97,183,398.401,3.966,5,0.446,0.82,1.0,0.8423171818244123,0.7555428003563841,0.7849873209512713,0.7741844287574532,0.7892579329723802
EOS-3-54505,CCn1cc(-c2cncc3nnc(-c4ncc(C(F)(F)F)cc4F)n23)c(-c2ccnc(Cl)n2)n1,KPQZEUGCKZCXKM-UHFFFAOYSA-N,3,1,0.247,50,243,489.824,4.338,5,0.273,0.58,0.978,0.18495133986704132,0.32077136591049277,0.8533770817627304,0.8169419505174422,0.5440104345144268
EOS-3-54506,Clc1cnc(-c2cccnc2)cc1COc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,ZDIUFQFYUYXIAV-UHFFFAOYSA-N,3,1,0.461,28,363,491.942,5.543,6,0.302,0.72,1.0,0.8043485710369406,0.8136179836885752,0.7641696936467686,0.7790932766774039,0.7903073812624222
EOS-3-54507,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5ccccc5)nc4)n23)nc1,KVHCPPAKQNXQOS-UHFFFAOYSA-N,3,1,0.279,30,179,498.514,3.292,7,0.351,0.71,0.994,0.01567747241450209,0.015146323075868686,0.15686039339318758,0.18020526351860736,0.09197236310054144
EOS-3-54508,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ncccc3OCc3ccc(F)c(F)c3)n12,DTQIQBRLDSUJHN-UHFFFAOYSA-N,3,1,0.375,8,934,497.469,3.901,6,0.341,0.75,0.806,0.364891028716332,0.42049893770132274,0.42885168939757384,0.4859502433006648,0.4250479747789733
EOS-3-54509,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)nn2)nc1,GWLUUOCBVHGRGC-UHFFFAOYSA-N,3,1,0.277,38,465,497.486,2.743,7,0.345,0.62,1.0,0.023353437050236448,0.03521862792132136,0.06527140017819204,0.09470735384826262,0.05463770474950312
EOS-3-54510,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4cccc(-n5ccc(-c6ncccn6)n5)n4)n23)cc1,WBJMGURMKCGIMX-UHFFFAOYSA-N,3,1,0.231,30,543,496.498,3.348,7,0.349,0.58,0.374,0.0018675896100335823,0.003915084641217189,0.07394969501747653,0.11177266808306491,0.04787625933794805
EOS-3-54511,Cc1cc(Oc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)ccc1F,POXCQARFTIFWCK-UHFFFAOYSA-N,3,1,0.522,13,374,400.417,4.432,5,0.446,0.74,1.0,0.572801727092043,0.5234990747721198,0.8248749228976766,0.7644352683160852,0.6714027482694812
EOS-3-54512,Cn1cc(-c2ncc(-c3nnc4cncc(OCc5nnnn5COCc5ccccc5)n34)cn2)cn1,DNNMNUPFNVCAPB-UHFFFAOYSA-N,3,1,0.398,92,549,496.495,1.722,6,0.288,0.73,1.0,0.2016482763347269,0.08893324652182852,0.021365910492769515,0.023327736275786444,0.08381879240627785
EOS-3-54513,Cc1ccc(Cc2cncc3nnc(-c4cncc(-c5cccc(F)c5)n4)n23)cn1,DFCSKXPNJPWAGY-UHFFFAOYSA-N,3,1,0.327,14,81,397.417,3.682,5,0.46,0.85,1.0,0.24831231581111643,0.2694469193338359,0.537394626824755,0.5710112398053595,0.4065412754437667
EOS-3-54514,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccccc5)n34)ncn2)ccn1,XKFRPNKNBJLPOQ-UHFFFAOYSA-N,3,1,0.506,1,675,399.389,3.361,5,0.419,0.74,1.0,0.6351775066822014,0.6135374545952985,0.5803149201562607,0.5548968542252073,0.595981683914742
EOS-3-54515,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccn1,BPVQSXWYULKNOQ-UHFFFAOYSA-N,3,1,0.613,75,359,398.43,2.603,5,0.434,0.77,1.0,0.46741141799739566,0.18994585703515865,0.209975327256528,0.16368823247207182,0.2577552086902885
EOS-3-54516,CCc1nc(C)ncc1-c1nnc2cncc(-c3ccc(-c4ccsc4S(C)(=O)=O)cc3F)n12,YJCKMEJXPQVZPD-UHFFFAOYSA-N,3,1,0.302,82,336,494.577,4.39,5,0.357,0.6,0.089,0.21269960934822835,0.33456411486532794,0.1476509492152697,0.18553389075457474,0.22011214104585017
EOS-3-54517,Cn1cncc1-c1cccc(-c2nnc3cncc(OCCc4ncccn4)n23)c1,DUDKRUMBZFYIPZ-UHFFFAOYSA-N,3,1,0.512,15,795,398.43,2.603,5,0.434,0.75,1.0,0.4674199849222123,0.2388972654375985,0.1793999725858406,0.15316804879720375,0.2597213179357138
EOS-3-54518,CCc1nc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)ccc1-c1nc(C)nn1C,QDHVNXPROAQQRH-UHFFFAOYSA-N,3,1,0.41,31,690,495.469,3.845,5,0.35,0.61,0.294,0.36489959564114866,0.40647488177643754,0.5066222328832842,0.3601021177438147,0.4095247070111713
EOS-3-54519,Cc1ccc(-c2nnc3cncc(OCCc4ccc(-c5cncc(F)c5-c5nnco5)nc4)n23)cn1,ULKXULVONUATNP-UHFFFAOYSA-N,3,1,0.531,6,843,495.478,3.762,6,0.323,0.65,1.0,0.8423257487492289,0.7005174422589268,0.3855116167500514,0.3312829826605442,0.5649094476046879
EOS-3-54520,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnnn5C)c4)n23)n1,IKIMJFYNAQRHIM-UHFFFAOYSA-N,3,1,0.5,7,464,399.418,2.264,5,0.443,0.71,1.0,0.17352306216160646,0.12039956137344938,0.12406620519498321,0.08343328078952779,0.12535552737989172
EOS-3-54521,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cnccn4)n23)cnn1,KGWVTHAIQYHWJZ-UHFFFAOYSA-N,3,1,0.435,65,658,400.406,1.393,5,0.416,0.62,1.0,0.367289767664999,0.17719827290795695,0.03489308477828799,0.028767733534370503,0.1520372147214036
EOS-3-54522,Fc1cccc(Cc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)c1,CHASZLLCFAZCJA-UHFFFAOYSA-N,3,1,0.407,57,616,399.404,4.722,5,0.439,0.81,0.993,0.3197776026317593,0.4293742718113906,0.912420327599205,0.9412651634569255,0.6507093413748201
EOS-3-54523,CCc1cc(F)ccc1-c1nnc2cncc(-c3cccc(-c4nncn4C)c3)n12,XTFQVCCYFFCLRL-UHFFFAOYSA-N,3,1,0.341,61,124,399.433,3.955,5,0.457,0.75,1.0,0.26429819751901856,0.329715235419094,0.5476235350558564,0.5582979233774245,0.42498372284284835
EOS-3-54524,Cc1nc(COc2cncc3nnc(-c4ccccn4)n23)cc(-c2nccn2C)n1,ZJUDEOPMGNGYGC-UHFFFAOYSA-N,3,1,0.488,7,128,399.418,2.264,5,0.443,0.66,1.0,0.2643067644438352,0.08234528133781098,0.04481358371598931,0.02964155986567062,0.10527679734082654
EOS-3-54525,Clc1cccc(Cc2cncc3nnc(-c4cccnc4-c4cccnc4)n23)c1,ZBPADEXYFSEZSZ-UHFFFAOYSA-N,3,1,0.455,14,358,398.857,4.493,5,0.446,0.83,0.998,0.30691864848194095,0.38752484408196836,0.6806935782331575,0.7835395106572545,0.5396691453635803
EOS-3-54526,CCc1ncncc1-c1nnc2cncc(-c3cccc(-c4ncc(F)cn4)n3)n12,FCKCRXFRXWLFQE-UHFFFAOYSA-N,3,1,0.282,50,489,399.393,2.802,5,0.454,0.67,0.853,0.26166815160030155,0.2694554862586526,0.10196353916798026,0.12963470632581728,0.19068047083818793
EOS-3-54527,Fc1ccccc1COc1cncc2nnc(-c3cc(-c4cccnc4)ccn3)n12,IFHJBFQSKCPBLC-UHFFFAOYSA-N,3,1,0.448,97,160,398.401,3.966,5,0.446,0.82,1.0,0.7201442670139127,0.6135460215201152,0.7712545404701528,0.7764717976835035,0.720354156671921
EOS-3-54528,Cc1cc(Oc2ncccn2)ccc1-c1cncc2nnc(-c3cc(-c4ncc(F)cn4)ccc3F)n12,NXIHUIUKZCZSGH-UHFFFAOYSA-N,3,1,0.321,42,192,494.465,5.084,6,0.327,0.71,1.0,0.5536889178260571,0.5796809677198272,0.7226715098348296,0.6661640737440888,0.6305513672812006
EOS-3-54529,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5nccc(F)c5F)c4)n23)cc1,HZHOVPOUZQHAAE-UHFFFAOYSA-N,3,1,0.489,89,398,499.481,3.998,6,0.361,0.83,0.961,0.5643975738468919,0.27971866218902064,0.5173480227537524,0.5285021588650538,0.4724916044136797
EOS-3-54530,Fc1cccc(CCOCc2ccc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)cc2F)c1,LAUYVDRMSRIQMF-UHFFFAOYSA-N,3,1,0.437,14,358,493.905,4.258,5,0.298,0.6,1.0,0.5432801041738058,0.6414656294976355,0.7734391062984032,0.808023781783291,0.6915521554382839
EOS-3-54531,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)n1C,OFPNOAPKCVYEKK-UHFFFAOYSA-N,3,1,0.418,7,535,399.418,2.264,5,0.443,0.66,1.0,0.39025769309848535,0.24413165650058255,0.11258652594064834,0.06707902131450895,0.2035137242135563
EOS-3-54532,Cc1cnc(-c2nnc(-c3ccc(-c4nnc5cncc(OCCc6ccncc6)n45)cc3F)o2)cn1,BENSKEWUYUBJOS-UHFFFAOYSA-N,3,1,0.543,6,393,495.478,3.762,6,0.323,0.64,1.0,0.7762490576382701,0.6466314851620862,0.3219878692344596,0.2849787540264547,0.5074617915153177
EOS-3-54533,O=C(O)c1csc(-c2cncc(-c3cncc4nnc(-c5cncnc5-c5cccc(F)c5)n34)c2)n1,RBDWCZKOOGYYGF-UHFFFAOYSA-N,3,1,0.315,94,515,496.487,4.271,6,0.371,0.69,0.84,0.1879154958536084,0.17720683983277363,0.3366287437461449,0.34722602974436295,0.26224427729422245
EOS-3-54534,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cccc(Oc5nccnn5)n4)n23)ccn1,AFLWDWKBOJXZGY-UHFFFAOYSA-N,3,1,0.433,75,597,494.479,1.976,6,0.303,0.59,0.995,0.2992084161469399,0.1492700980056199,0.05005654170379001,0.027833938729353712,0.13159224864642588
EOS-3-54535,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(C(F)F)c4)n23)cc1,LSIFLGGYOARTTL-UHFFFAOYSA-N,3,1,0.351,63,437,395.373,2.942,5,0.561,0.91,1.0,0.11892605030498252,0.12040812829826605,0.41794599410595573,0.43323795490370776,0.27262953190322803
EOS-3-54536,CCc1nnc(-c2cscn2)cc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,SFXREZVIEHSPMP-UHFFFAOYSA-N,3,1,0.457,81,120,492.568,4.908,6,0.31,0.64,1.0,0.3966571859365362,0.36872901103419914,0.23832328147488177,0.23445103145774793,0.30954012747584125
EOS-3-54537,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccn5C)nc4)n23)cn1,WHDPJHIDGRBVPG-UHFFFAOYSA-N,3,1,0.588,55,879,398.43,2.869,5,0.449,0.76,1.0,0.4725772736618463,0.24904050442053322,0.24537386059899938,0.1586423137550545,0.28140848810910835
EOS-3-54538,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(-c6cccc(F)n6)cn5)n34)cn2)nc1,VAKDPTYVGNPSFT-UHFFFAOYSA-N,3,1,0.457,80,34,496.441,3.353,6,0.317,0.63,1.0,0.6985641834007265,0.6661812075937221,0.37035672674936604,0.3568038516893976,0.522976492358303
EOS-3-54539,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)n(C)n1,TWOMZLTVDCHNPA-UHFFFAOYSA-N,3,1,0.453,92,662,398.43,2.869,5,0.449,0.78,1.0,0.3096600644232746,0.2389058323624152,0.2064628880816942,0.14805359468165308,0.22577059488725926
EOS-3-54540,CCn1cncc1-c1cnc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnn5)n4)n23)nn1,HAFHMGMUEHQPJF-UHFFFAOYSA-N,3,1,0.385,71,502,496.47,2.43,6,0.321,0.61,0.864,0.37427181139058324,0.3104739222808581,0.061553354807758205,0.06708758823932562,0.2033466691796313
EOS-3-54541,Cn1ncnc1CCc1cncc2nnc(-c3cc(-c4ccnc(F)c4)ncn3)n12,LJMYKGRMKBNALX-UHFFFAOYSA-N,3,1,0.301,31,194,402.397,1.696,5,0.408,0.65,0.817,0.14049756699335206,0.15698033034062092,0.041857994654238916,0.06709615516414227,0.10160801178808854
EOS-3-54542,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)nn1,JQPNOIYCSQRJIY-UHFFFAOYSA-N,3,1,0.55,15,361,399.418,1.998,5,0.426,0.69,1.0,0.4898310602426153,0.2797272291138373,0.15686896031800424,0.13615413611130148,0.26564534644643956
EOS-3-54543,COc1cc(-c2cncc(F)c2)cnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,FNBGTRXETFNSSY-UHFFFAOYSA-N,3,1,0.316,74,802,499.481,4.094,6,0.375,0.86,1.0,0.519986635597286,0.4340603796861079,0.5136214104585018,0.5482232197930231,0.5039729113837297
EOS-3-54544,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCc5ccc(Cl)nn5)cn4)n23)cc1,QKDOCTGVKSCXME-UHFFFAOYSA-N,3,1,0.381,62,139,499.922,2.586,5,0.363,0.78,1.0,0.3069272154067576,0.2744928380508533,0.20647145500651087,0.12964327325063396,0.22938369542868892
EOS-3-54545,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cnc1OC,YGZJUBQNLOBNFM-UHFFFAOYSA-N,3,1,0.425,26,905,494.918,3.887,5,0.32,0.6,0.995,0.47258584058666303,0.42499657323007334,0.4401514632307587,0.36011068466863133,0.4244611404290316
EOS-3-54546,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nccn5C)c4)n23)nc1,VSYBVFPDVDIYOA-UHFFFAOYSA-N,3,1,0.422,33,346,398.43,2.869,5,0.449,0.77,1.0,0.4050870399561373,0.14927866493043657,0.24538242752381606,0.17198958261942293,0.2429344287574532
EOS-3-54547,CCn1nc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1nnc(C(F)(F)F)cc1C,YQGKNSAYQGNQBE-UHFFFAOYSA-N,3,1,0.402,31,569,495.469,3.808,5,0.335,0.62,0.999,0.3123672126653417,0.3052737989171407,0.45466383387019393,0.3246693167020766,0.3492435405386882
EOS-3-54548,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5cncc(F)c5F)c4)n23)nc1,YZLCXZPGVVUTQX-UHFFFAOYSA-N,3,1,0.398,89,344,499.481,3.998,6,0.361,0.83,1.0,0.4535244328695771,0.19445205948872593,0.5574155301213076,0.5958724556233295,0.450316119525735
EOS-3-54549,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccc(OC(F)F)cc5)ccn4)n23)nc(Cl)n1,FIGGJAXKIHJADX-UHFFFAOYSA-N,3,1,0.533,27,996,495.877,4.786,5,0.297,0.78,1.0,0.6714755671304229,0.7896220272770886,0.8266482763347269,0.7882256185319718,0.7689928723185526
EOS-3-54550,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)nc(Br)n1,WAWVXOYWERNOTC-UHFFFAOYSA-N,3,1,0.517,15,300,493.3,3.561,5,0.261,0.6,1.0,0.8423343156740456,0.7936227811664724,0.3072184908505243,0.30294359536700705,0.5615297957645123
EOS-3-54551,Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc(-c2ccnc(OC(F)F)c2)n1,PCOYCPAVRANKEF-UHFFFAOYSA-N,3,1,0.402,46,128,496.865,4.181,5,0.327,0.69,0.998,0.677686587622507,0.8060962236995408,0.6915564389006922,0.6315879651840175,0.7017318038516893
EOS-3-54552,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccn(C)n5)n34)cn2)cn1,BAWLNZVIIYKWTF-UHFFFAOYSA-N,3,1,0.438,7,85,399.418,2.264,5,0.443,0.7,1.0,0.25110513330135015,0.20362723596737714,0.1267305188129669,0.07263038859570968,0.16352331916935098
EOS-3-54553,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nccnc4-c4cccnc4Cl)n23)cc1,XJVATSNHAKEWQU-UHFFFAOYSA-N,3,1,0.446,89,398,498.934,3.768,6,0.337,0.81,1.0,0.522873689260503,0.36873757795901585,0.1730347474470564,0.23755225824138168,0.3255495682269892
EOS-3-54554,Fc1ccc(COc2cncc3nnc(-c4c(F)ccc(F)c4F)n23)cc1-c1ncccc1Cl,WWICKQBBBRHGHA-UHFFFAOYSA-N,3,1,0.537,34,671,485.828,5.642,5,0.238,0.68,1.0,0.9391405661023919,0.9380439997258584,0.9857360701802481,0.9897453909944486,0.9631665067507367
EOS-3-54555,Cn1nc(C2CC2)cc1COc1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,ZMPFIYVZPGFGTB-UHFFFAOYSA-N,3,1,0.549,90,636,398.829,3.774,5,0.511,0.74,0.998,0.5587434034678912,0.7005260091837434,0.38552018367486807,0.5837331231581112,0.5571306798711535
EOS-3-54556,CC(c1ccc(F)c(F)c1F)c1cncc2nnc(-c3ccc(C(N)=O)cc3)n12,NXVYGBGQYZRYRL-UHFFFAOYSA-N,3,1,0.477,23,646,397.36,3.459,4,0.535,0.77,1.0,0.33727126310739497,0.44729627852785964,0.9635049002809951,0.9217240079501062,0.667449112466589
EOS-3-54557,Cn1cc(CCOc2cncc3nnc(-c4cccc(-c5ncccn5)c4)n23)cn1,HYFOOQRSZLSOBU-UHFFFAOYSA-N,3,1,0.587,15,300,398.43,2.603,5,0.434,0.78,1.0,0.4776745939277637,0.290255979713522,0.20648002193132753,0.16131519429785485,0.283931447467617
EOS-3-54558,COCc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5Cl)n34)cnc2F)n1,SAOKMNRDGANLSM-UHFFFAOYSA-N,3,1,0.456,65,657,492.902,3.599,5,0.3,0.54,1.0,0.6351860736070181,0.6709958193406894,0.4216554725515729,0.4076399835515043,0.5338693372626961
EOS-3-54560,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cc5F)nc4)n23)cn1,LYJYNGPSCQCFNM-UHFFFAOYSA-N,3,1,0.321,42,287,496.485,4.175,6,0.349,0.64,1.0,0.2292680419436639,0.32530326913851004,0.22746898773216367,0.2998937701322733,0.2704835172366527
EOS-3-54561,CCOc1ncccc1-c1nnc2cncc(-c3cncc(-c4cn(C)nn4)c3)n12,HTWQNSNSMXYAFG-UHFFFAOYSA-N,3,1,0.292,50,859,399.418,2.442,5,0.443,0.69,0.988,0.1080717565622644,0.08894181344664519,0.11851483791378246,0.08520663422657802,0.10018376053731752
EOS-3-54562,COc1ccnc(CCOc2cncc3nnc(-c4cnc(Cl)c(-c5ccc(F)c(F)c5)c4)n23)c1,AEISUKFHDYZXQH-UHFFFAOYSA-N,3,1,0.505,88,490,494.889,4.81,5,0.3,0.7,1.0,0.9417791789459256,0.9602152011513947,0.8919625111370023,0.868163593996299,0.9155301213076554
EOS-3-54563,Cc1cc(-c2cnnc(COc3cncc4nnc(-c5ncccn5)n34)c2)n(C)n1,NVFZJHKLMZYTKO-UHFFFAOYSA-N,3,1,0.385,92,587,400.406,1.659,5,0.433,0.59,1.0,0.15182304160098692,0.07180796381330957,0.038970940991021864,0.023336303200603113,0.07148456240148036
EOS-3-54564,Cn1nc(-c2cccnn2)nc1COc1cncc2nnc(-c3cccc(-c4cncn4CCF)c3)n12,QESLSSLJNQGSII-UHFFFAOYSA-N,3,1,0.383,71,415,497.498,2.789,6,0.312,0.72,0.706,0.29921698307175654,0.2133249948598451,0.048240353642656435,0.0577496401891577,0.15463299294085395
EOS-3-54565,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cc1-c1ncccc1F,RYOGZGVDLWUVJG-UHFFFAOYSA-N,3,1,0.5,28,414,494.465,4.563,6,0.332,0.6,1.0,0.7293537111918306,0.7684274552806525,0.653082379549037,0.6404632992940854,0.6978317113289014
EOS-3-54566,Cn1cc(-c2cccc(-c3nnc4cncc(CCc5ccc(F)cc5)n34)c2)cn1,AGVDSYBIHUIQAL-UHFFFAOYSA-N,3,1,0.426,14,886,398.445,4.116,5,0.447,0.85,1.0,0.21270817627304503,0.37341511890891643,0.7433520663422658,0.7436861764101158,0.5182903844835858
EOS-3-54567,Cc1ccc(-c2ncc(-c3cccs3)cc2-c2nnc3cncc(OCCc4ccncc4)n23)cn1,GWKNEIWGXBSYLN-UHFFFAOYSA-N,3,1,0.494,28,667,491.58,5.302,6,0.299,0.69,0.999,0.6293691316565005,0.537163319854705,0.48236926872729763,0.4269755328627236,0.5189693132753066
EOS-3-54569,Cc1cnc(-c2ccnc(-c3nnc4cncc(Oc5ccccc5F)n34)c2)cn1,ZVAFRJZJBYDPGJ-UHFFFAOYSA-N,3,1,0.398,13,110,399.389,3.883,5,0.453,0.71,1.0,0.5810688095401275,0.5512045096292235,0.5675759029538757,0.5352100609965047,0.558764820779933
EOS-3-54570,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5Cl)n34)cs2)c1,JCZJWLGUTXEORN-UHFFFAOYSA-N,3,1,0.5,58,698,487.347,5.377,5,0.3,0.59,0.999,0.6866218902062915,0.6953344527448427,0.8175759029538757,0.8730810088410664,0.7681533136865192
EOS-3-54571,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(-c5nc[nH]n5)n4)n23)ccc1-c1ccncc1,AQBSSXUBSNXUJI-UHFFFAOYSA-N,3,1,0.455,40,83,495.478,3.76,6,0.352,0.55,1.0,0.5228822561853197,0.5235076416969364,0.5238931533136865,0.43632204783770817,0.5016512747584126
EOS-3-54572,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5cnc(-c6ccnn6C)c(F)c5)n34)n2)n1C,WJUUMGBAXWUPBV-UHFFFAOYSA-N,3,1,0.464,71,502,497.498,2.804,6,0.341,0.66,0.998,0.40095778219450345,0.4114008635460215,0.07170516071550956,0.06079089849907477,0.23621367623877734
EOS-3-54573,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1nc(CO)cc(=O)[nH]1,GMFSMPUHDUMHDW-UHFFFAOYSA-N,3,1,0.327,51,924,491.899,2.014,5,0.345,0.54,0.321,0.407468645055171,0.40194297854842026,0.07825885820026043,0.08004077856212734,0.24192781509149477
EOS-3-54574,Cn1nnnc1-c1cc(-c2cncc3nnc(-c4ccc(C(=O)NCCO)c(F)c4)n23)nc(Cl)n1,YHGWNTZSSKQZIS-UHFFFAOYSA-N,3,1,0.297,74,413,495.866,0.953,5,0.324,0.62,1.0,0.26431533136865193,0.19906963196490987,0.05752690014392434,0.07459221437872661,0.1488760194640532
EOS-3-54575,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ncc(F)c(F)n4)n23)cn1,UMGIJCIEECCYOM-UHFFFAOYSA-N,3,1,0.533,90,811,398.333,0.975,4,0.475,0.7,1.0,0.4872781166472483,0.2590552395312179,0.09456171612637927,0.080049345486944,0.23023610444794737
EOS-3-54576,Clc1ccccc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nccs5)cn4)n23)cc1,CWDYYAKJGQWHEF-UHFFFAOYSA-N,3,1,0.415,12,492,482.956,6.423,6,0.282,0.75,1.0,0.7138218764992118,0.7936313480912891,0.784995887876088,0.810294016859708,0.7756857823315743
EOS-3-54577,Cc1cnc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cn4)n23)cn1,BRYHJWUCOGZVHX-UHFFFAOYSA-N,3,1,0.309,7,828,399.418,2.786,5,0.454,0.73,1.0,0.36258652594064833,0.16070694263587143,0.0852923034747447,0.04408539510657254,0.16316779178945925
EOS-3-54578,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5cncc(C)n5)c4)n23)on1,BZYSBLISJVDOIX-UHFFFAOYSA-N,3,1,0.568,7,99,400.402,2.827,5,0.439,0.65,1.0,0.4163525460900555,0.20363580289219382,0.14177403879103556,0.09079226920704545,0.21313866424508257
EOS-3-54579,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc1,QPGPMXKGSXOOLC-UHFFFAOYSA-N,3,1,0.5,90,12,395.81,2.173,4,0.551,0.82,1.0,0.5840415324515112,0.49135597285998217,0.28915084641217187,0.20234219724487698,0.3917226372421356
EOS-3-54580,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5nc(C)co5)nc4)n23)n1,RGCUQWJYAPCKHU-UHFFFAOYSA-N,3,1,0.482,4,464,399.414,3.432,5,0.443,0.74,1.0,0.40509560688095403,0.2954304023027894,0.19585703515865946,0.11649304365704886,0.25321902199986296
EOS-3-54581,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4ccnc(C5CC5)n4)n23)cn1,OFGOEEPCTCDLQY-UHFFFAOYSA-N,3,1,0.306,68,455,397.364,3.463,5,0.525,0.8,0.999,0.31978616955657596,0.34940202864779657,0.5029555890617504,0.5184531560551024,0.4226492358303064
EOS-3-54582,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6cnn(C)c6C)n5)n34)nc2)n[nH]1,JBJIHJCKDQUQMF-UHFFFAOYSA-N,3,1,0.368,46,128,497.498,3.102,6,0.368,0.69,0.845,0.34898224933177985,0.3968713590569529,0.12407477211979988,0.08344184771434446,0.2383425570557193
EOS-3-54583,Cc1cnc(-c2nnc3cncc(OCc4ccc(-c5ccn(C)n5)cc4)n23)cn1,SMWYXENRNFEHCP-UHFFFAOYSA-N,3,1,0.465,89,348,398.43,2.869,5,0.449,0.76,1.0,0.40968747858268795,0.1531509149475704,0.28202316496470425,0.20235076416969364,0.26180308066616403
EOS-3-54584,COCc1nccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1,YEVZTZYANNBTLQ-UHFFFAOYSA-N,3,1,0.329,98,882,399.418,2.19,5,0.442,0.68,1.0,0.13797889109725173,0.07181653073812624,0.09020115139469537,0.07060859433897608,0.09265129189226236
EOS-3-54585,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6cnccn6)ncn5)n34)cc2F)nn1,CFZQTNYJDLBOBG-UHFFFAOYSA-N,3,1,0.469,80,277,493.466,2.917,6,0.338,0.45,1.0,0.6321876499211843,0.6614008635460216,0.24192138989788226,0.2144215612363786,0.4374828661503667
EOS-3-54586,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c1,UOCKAMJIEQJMJK-UHFFFAOYSA-N,3,1,0.488,97,700,398.401,3.966,5,0.446,0.8,1.0,0.8736721266534165,0.7331402919607978,0.727897333972997,0.7277174285518471,0.7656067952847646
EOS-3-54587,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1,BTUUIOFRARESRE-UHFFFAOYSA-N,3,1,0.61,24,912,398.401,3.966,5,0.446,0.8,1.0,0.8492906586251799,0.6953430196696594,0.7252244534301967,0.719904393119046,0.7474406312110204
EOS-3-54588,CCc1nc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)ccc1-c1nccs1,VLBQYQBEMGCICV-UHFFFAOYSA-N,3,1,0.4,81,984,493.556,4.303,6,0.321,0.6,0.194,0.28298266054417104,0.2540093208142005,0.09457028305119594,0.08345041463916113,0.17875316976218217
EOS-3-54589,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)c(-c5ccccn5)c4)n23)c(F)c1F,DLSJLPFQBCULJE-UHFFFAOYSA-N,3,1,0.5,59,13,483.4,5.787,5,0.226,0.69,1.0,0.9809899938318142,0.9582705092180112,0.9933006647933658,0.9908762250702488,0.98085934822836
EOS-3-54590,Cc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3nccn3C)n12,NGANMHWNSORLMX-UHFFFAOYSA-N,3,1,0.391,7,242,399.418,2.264,5,0.443,0.67,1.0,0.4009663491193201,0.23891439928723185,0.05006510862860668,0.02877630045918717,0.17968053937358647
EOS-3-54591,Cc1ccc2c(-c3cncc4nnc(-c5ccc(-c6cocn6)cc5)n34)c(-c3ccc(F)cc3)nn2c1,IUVZUUDNWPULPN-UHFFFAOYSA-N,3,1,0.333,69,695,487.498,5.876,7,0.308,0.64,1.0,0.28299122746898775,0.42500514015489,0.75048831471455,0.7882341854567885,0.5616797169488041
EOS-3-54592,Clc1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6csc(Cl)n6)cc5)n34)cn2)o1,FUFPXZNMOOVHPK-UHFFFAOYSA-N,3,1,0.329,38,787,493.339,5.334,6,0.324,0.67,1.0,0.2265523267767802,0.3968799259817696,0.48593310945103146,0.5742152696867933,0.4208951579740936
EOS-3-54594,Cc1cnc(-c2cncc(COc3cncc4nnc(-c5ncccn5)n34)c2)n1C,PRZHBGWCUGVGMS-UHFFFAOYSA-N,3,1,0.437,7,346,399.418,2.264,5,0.443,0.68,1.0,0.2967582756493729,0.08235384826262765,0.0739582619422932,0.046861078747172914,0.12498286615036668
EOS-3-54595,Fc1cc(-c2cc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)ncn2)ccc1Cl,YBOXLILKCNGFFP-UHFFFAOYSA-N,3,1,0.402,13,236,487.709,6.14,5,0.303,0.69,1.0,0.7411332328147489,0.8528373654992804,0.9657494345829621,0.9842454252621479,0.8859913645397848
EOS-3-54596,Cc1ncc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)o1,ZUAPAVWWLAQIGX-UHFFFAOYSA-N,3,1,0.488,18,840,399.414,3.166,5,0.429,0.69,1.0,0.462605373175245,0.1531594818723871,0.292731820985539,0.2113803029264615,0.2799692447399082
EOS-3-54597,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)c(Cl)c3)n12,XSSARYMZCYFFDM-UHFFFAOYSA-N,3,1,0.585,35,265,486.359,5.982,5,0.295,0.63,1.0,0.9472877116030429,0.9395346446439586,0.9329124117606744,0.9548094715920773,0.9436360598999384
EOS-3-54598,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nc(C6CCOCC6)no5)on4)n23)cc1,ICOQRPAKILCTEB-UHFFFAOYSA-N,3,1,0.292,98,882,496.491,3.186,7,0.346,0.65,1.0,0.13001165101775067,0.018204715235419094,0.00492598176958399,0.013689945857035158,0.04170807346994722
EOS-3-54599,Cc1cnccc1-c1nnc2cncc(OCc3cncc(-c4cnnn4C)n3)n12,HIRUJEAFIIPURA-UHFFFAOYSA-N,3,1,0.398,7,535,400.406,1.659,5,0.433,0.6,0.999,0.16273730381742169,0.07538037146186005,0.059454458227674596,0.04409396203138921,0.08541652388458638
EOS-3-54600,Fc1ccc(OCC2CCCO2)c(-c2nnc3cncc(-c4cnn(-c5cc(F)cnc5F)c4)n23)c1,ASYRBOQSCIJILJ-UHFFFAOYSA-N,3,1,0.296,37,246,493.449,4.014,6,0.33,0.55,1.0,0.21005242957987802,0.25906380645603455,0.6027088616270304,0.7092043040230279,0.4452573504214927
EOS-3-54601,Cn1cc(-c2cnnc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)cn1,SSMSOMYBSPXTCP-UHFFFAOYSA-N,3,1,0.47,92,466,399.418,1.998,5,0.426,0.68,1.0,0.4009749160441368,0.10138098828044685,0.18262970324172434,0.14576622575560277,0.2076879583304777
EOS-3-54602,COC1CN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cn5)n34)nc2)C1,QFPRGTSZRLULIL-UHFFFAOYSA-N,3,1,0.308,52,821,497.946,4.04,6,0.361,0.7,0.961,0.35336851483791376,0.387533411006785,0.23833184839969845,0.40764855047632104,0.34672058118017957
EOS-3-54603,Cc1cnc(-c2nnc3cncc(Cc4ccnc(-c5ccc(F)cn5)c4)n23)cn1,NKYASGCDVOFFRA-UHFFFAOYSA-N,3,1,0.337,85,674,398.405,3.077,5,0.459,0.71,1.0,0.2940168597080392,0.2287368926050305,0.3479370845041464,0.36011925159344804,0.307702522102666
EOS-3-54604,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccnn5C)c4)n23)nn1,ZHLDUHKCNBANIR-UHFFFAOYSA-N,3,1,0.476,92,587,399.418,2.264,5,0.443,0.67,1.0,0.17915153176615722,0.10455075046261395,0.12408333904461655,0.0765369063121102,0.12108063189637447
EOS-3-54605,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4ncc(F)c(-c5cnccn5)n4)n23)cc1,MTOBJECYJIGWPT-UHFFFAOYSA-N,3,1,0.409,39,147,496.441,3.353,6,0.338,0.62,1.0,0.6321962168460009,0.6038568295524639,0.27034644643958605,0.3344955794667946,0.46022376807621135
EOS-3-54606,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)ncn2)o1,CDDZBYHPMNXUIG-UHFFFAOYSA-N,3,1,0.549,52,229,499.491,1.991,6,0.338,0.78,1.0,0.17076451237063944,0.0025700774450003426,0.0032639983551504353,0.003221163731067096,0.04495493797546433
EOS-3-54607,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cn1,JVCRDHRSANFDOR-UHFFFAOYSA-N,3,1,0.461,68,127,396.798,1.568,4,0.539,0.74,1.0,0.46982729079569596,0.4735025015420465,0.10197210609279693,0.07061716126379275,0.278979764923583
EOS-3-54608,Fc1cncc(COc2cncc3nnc(-c4cccc(-c5ccccc5)c4)n23)n1,NJBLWBOHQXYYCL-UHFFFAOYSA-N,3,1,0.512,1,700,398.401,3.966,5,0.446,0.79,1.0,0.6238434651497499,0.6661897745185388,0.6668751285038722,0.6924816667808923,0.6623475087382632
EOS-3-54609,Cc1n[nH]c(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)n1,WGPLUXNZUGLWIR-UHFFFAOYSA-N,3,1,0.471,18,840,399.418,2.296,5,0.462,0.66,1.0,0.5199952025221026,0.2590723733808512,0.1297375094236173,0.1007813035432801,0.2523965972174628
EOS-3-54610,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(OC(F)F)c5)nc4)n23)cc1,AOZWTEVCIXXMDM-UHFFFAOYSA-N,3,1,0.38,9,642,497.469,4.312,6,0.335,0.75,1.0,0.36729833458981564,0.4473048454526763,0.6915650058255088,0.6573230073332876,0.5408727983003221
EOS-3-54611,c1ccc(-c2ncsc2-c2cncc3nnc(-c4ccc(-c5ccc(C6CC6)cc5)nc4)n23)cc1,AYLVDWSZTFHAMB-UHFFFAOYSA-N,3,1,0.322,69,220,472.577,6.521,7,0.286,0.65,0.999,0.07959529847166061,0.16857994654238914,0.5606452607771915,0.6690425604824892,0.3694657665684326
EOS-3-54612,COc1cc(F)cc(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nn5)cc(CF)n4)n23)c1,HMGPBBNTXRVEMT-UHFFFAOYSA-N,3,1,0.404,19,16,495.877,4.493,5,0.325,0.65,0.991,0.6013124528819135,0.6661983414433555,0.7570248783496676,0.7146871359056953,0.6848057021451579
EOS-3-54613,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)c2)cn1,JSGDOLHTEPHUTH-UHFFFAOYSA-N,3,1,0.427,51,969,399.418,2.264,5,0.443,0.67,1.0,0.25596257967240077,0.18995442395997533,0.10993934617229799,0.07654547323692687,0.15810045576040022
EOS-3-54614,Cc1ccc(-c2nnc3cncc(OCc4cncc(-c5nncn5C)c4)n23)cc1,IVAVKPZZQNYAEU-UHFFFAOYSA-N,3,1,0.575,89,895,398.43,2.869,5,0.449,0.75,1.0,0.5406757590295388,0.21826811047906244,0.2963556301829895,0.24338633404153245,0.3246714584332808
EOS-3-54615,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(F)nn5)c4)n23)cc1,USDCVSYWEFFNQV-UHFFFAOYSA-N,3,1,0.522,89,398,500.469,3.393,6,0.361,0.84,1.0,0.6835634980467411,0.3253118360633267,0.36300630525666505,0.3983448701254198,0.44255662737303814
EOS-3-54616,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc(Cl)nn5)n4)n23)nc1,OZRHJWCIYCWXMA-UHFFFAOYSA-N,3,1,0.371,33,344,499.922,3.163,6,0.358,0.77,0.97,0.4009834829689535,0.32532040298814335,0.09020971831951202,0.13196490987595094,0.23711962853813995
EOS-3-54617,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-n5cc(-c6ccccc6)nn5)n4)n23)cc1,OKUBMYQTEACLPP-UHFFFAOYSA-N,3,1,0.453,93,465,497.526,3.897,7,0.351,0.66,1.0,0.005585634980467411,0.012387773284901652,0.21667466246316222,0.2433949009663491,0.1195107429237201
EOS-3-54618,Cc1cc(-c2ncnnc2-c2ccc(-c3nnc4cncc(Oc5nnc(C)s5)n34)cc2)nc(C)n1,DQKIARLNNALWRL-UHFFFAOYSA-N,3,1,0.358,67,622,495.532,3.669,6,0.345,0.59,0.891,0.4209786854910561,0.2540178877390172,0.038979507915838534,0.02498971969022,0.18474145020903296
EOS-3-54619,CCn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccc(C)nn4)cn3)n12,PKQUZGZMIIAVCQ-UHFFFAOYSA-N,3,1,0.267,8,754,495.938,3.946,6,0.327,0.63,0.92,0.11048762936056473,0.17291481049962307,0.08027208553217736,0.13616270303611816,0.12495930710712083
EOS-3-54620,Cc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc(-c2cc(CO)c(F)cc2F)n1,RFMZCWYYVMDWDA-UHFFFAOYSA-N,3,1,0.434,73,43,495.877,3.955,5,0.377,0.58,1.0,0.7293622781166472,0.7055205263518607,0.8467719827290796,0.812718456582825,0.7735933109451032
EOS-3-54621,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5cnc(C)cn5)s4)n23)cn1,IPNWRBWFLSMXKT-UHFFFAOYSA-N,3,1,0.364,85,290,399.483,3.912,5,0.456,0.73,1.0,0.10326571174011377,0.16071550956068809,0.22747755465698033,0.1855424576793914,0.1692503084092934
EOS-3-54622,Cc1ccc(F)c(-c2nnc3cncc(Cc4ccc(-c5cncnn5)nc4)n23)c1,WDFBJXBVQYACKG-UHFFFAOYSA-N,3,1,0.305,85,60,398.405,3.077,5,0.459,0.72,0.934,0.30176992666712354,0.28493591940237134,0.5066307998081009,0.5051230210403673,0.3996149167294908
EOS-3-54623,CCc1nc(-c2nnc3cncc(OCCCc4ccnc(Cl)c4)n23)ccc1-c1cncc(C)n1,VHDSMNVBCRHRQX-UHFFFAOYSA-N,3,1,0.408,31,690,486.967,4.574,5,0.232,0.56,0.999,0.5671818244123089,0.5990936193543965,0.18263827016654102,0.19926667123569325,0.3870450962922349
EOS-3-54624,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccnn5C)cn4)n23)nc1,YSDPKLCLDQCAIL-UHFFFAOYSA-N,3,1,0.436,33,53,398.43,2.869,5,0.449,0.73,1.0,0.2483208827359331,0.15316804879720375,0.2668939757384689,0.17727537523130696,0.2114145706257282
EOS-3-54625,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4nc(-c5ccnnc5)ncc4F)n23)cc1,ACJOEZCEINUHJY-UHFFFAOYSA-N,3,1,0.392,39,972,496.441,3.352,6,0.338,0.62,1.0,0.5671903913371257,0.5371718867795217,0.3332362415187444,0.3892724967445686,0.4567177540949901
EOS-3-54626,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)ccc1-c1cc(F)ccc1F,AYHLFHZXQSSUFL-UHFFFAOYSA-N,3,1,0.529,57,146,484.915,6.039,5,0.294,0.64,1.0,0.945685696662326,0.9512884654924268,0.9585103831128778,0.9502861352888767,0.9514426701391269
EOS-3-54627,CCn1cc(-c2cc(-c3cncc4nnc(-c5nccnc5-c5cccc(C)c5Cl)n34)ncn2)cn1,OWACAVGBWJKVBJ-UHFFFAOYSA-N,3,1,0.242,39,972,494.95,4.551,6,0.343,0.6,0.368,0.13002021794256732,0.1453293125899527,0.28551847028990474,0.33129154958536083,0.22303988760194637
EOS-3-54628,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)[nH]n2)cn1,BRTCBQWXLCMAMQ-UHFFFAOYSA-N,3,1,0.476,65,963,399.418,2.296,5,0.462,0.68,1.0,0.4345572613254746,0.18571379617572475,0.15081214447262012,0.11406860393393188,0.22128795147693786
EOS-3-54629,Cn1ncc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6(C)COC6)cn5)n34)cn2)n1,HYYQWYHLWSUXKI-UHFFFAOYSA-N,3,1,0.384,33,760,498.507,1.474,6,0.35,0.7,0.682,0.2643238982934686,0.03813994928380508,0.05386025632239051,0.025897813720786787,0.09555547940511275
EOS-3-54630,COc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1ncc(F)cn1,IWQWJJZXYJVLRX-UHFFFAOYSA-N,3,1,0.426,18,263,496.865,3.6,5,0.333,0.62,0.966,0.8603933931875813,0.7468473716674663,0.492521074635049,0.47390514700842984,0.6434167466246317
EOS-3-54631,CNC(=O)c1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(C)O)nc5)n34)nc(C)n2)cc1,BPCNIIJHDBFXIB-UHFFFAOYSA-N,3,1,0.446,89,398,496.531,2.944,5,0.348,0.66,0.998,0.4698358577205126,0.189962990884792,0.3332448084435611,0.12965184017545062,0.28067387430607904
EOS-3-54632,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5cccc(F)c5F)cn4)n23)nc1,UMEOYGUROCLDKB-UHFFFAOYSA-N,3,1,0.402,33,53,498.453,2.593,5,0.367,0.64,1.0,0.5228908231101363,0.32972380234391063,0.6322047837708177,0.4889229662120485,0.49343559385922825
EOS-3-54633,Cc1ccc(-c2nnc3cncc(-c4c(-c5ccc(F)nc5)nc(C)n4C)n23)cn1,LUBHGXFDVXJFGT-UHFFFAOYSA-N,3,1,0.392,82,336,400.421,3.405,5,0.432,0.66,0.999,0.19902679734082654,0.284944486327188,0.2630645603454184,0.25802720855321776,0.2512657631416627
EOS-3-54634,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(-c6cnccn6)cn5)n34)c2)nc1,DNSUZXVOVLVQRJ-UHFFFAOYSA-N,3,1,0.484,28,414,494.465,4.563,6,0.332,0.58,1.0,0.6439072030703858,0.6564063463779042,0.7757864436981701,0.7540264546638339,0.7075316119525735
EOS-3-54635,Clc1ccc(-c2nnc(-c3ccc(-c4nnc5cncc(OCCc6cccnc6)n45)cc3)o2)cc1,FRQDEMGRODHCLX-UHFFFAOYSA-N,3,1,0.675,77,323,495.93,5.178,6,0.298,0.81,1.0,0.9472962785278597,0.9448290041806593,0.6116698649852649,0.6255996847371668,0.7823487081077376
EOS-3-54636,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccc(Cl)nc5)c4)n23)nc1,NOMQGZRPMSVWLC-UHFFFAOYSA-N,3,1,0.382,33,344,498.934,3.768,6,0.337,0.76,1.0,0.46984442464532933,0.3921938181070523,0.2630731272702351,0.3186639024055925,0.36094381810705234
EOS-3-54637,C(#Cc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)n1)c1cccnc1,AWQISKPUTKNPED-UHFFFAOYSA-N,3,1,0.465,40,2,497.522,3.455,6,0.319,0.65,1.0,0.7014084024398601,0.6614094304708382,0.45467240079501064,0.4014203961346035,0.5547276574600781
EOS-3-54638,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cccnn5)n4)n23)nc1,FMWBAYBWVHUETA-UHFFFAOYSA-N,3,1,0.33,6,843,495.482,3.035,6,0.325,0.57,0.122,0.44393804399972586,0.35407100267288055,0.132607429237201,0.11872901103419917,0.26233637173600166
EOS-3-54639,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C#N)cc5F)n34)n2)n1,HEBIQWQVCFOGBQ-UHFFFAOYSA-N,3,1,0.366,22,259,398.365,2.055,5,0.452,0.72,1.0,0.1822184908505243,0.3540795695976972,0.2703550133644027,0.35681241861421426,0.2908663731067096
EOS-3-54640,O=C(c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)s4)n23)cc1)N1CCOCC1,SVXMVILQBNJCHK-UHFFFAOYSA-N,3,1,0.55,89,229,499.556,3.361,6,0.35,0.84,1.0,0.23483654307449797,0.018213282160235763,0.00981769583990131,0.018153313686519085,0.07025520869028853
EOS-3-54641,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccnn5)n4)n23)cc1Cl,IEFJZBCJLPQSOS-UHFFFAOYSA-N,3,1,0.484,71,415,497.91,3.066,6,0.337,0.66,1.0,0.4209872524158728,0.5465355356041396,0.16335412240422179,0.18838667671852513,0.32981589678568984
EOS-3-54642,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nc(-c5cccs5)nn5cccc45)n23)c(F)c1,PBBFQPSPUGIFRI-UHFFFAOYSA-N,3,1,0.29,98,314,494.519,4.164,7,0.362,0.53,0.998,0.2535381399492838,0.37342368583373314,0.2166832293879789,0.3029521622918237,0.2866493043657049
EOS-3-54643,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5cnco5)n34)c2)cn1,LUWWDWWNKLFIBH-UHFFFAOYSA-N,3,1,0.584,35,4,399.414,3.166,5,0.429,0.71,1.0,0.5559505859776575,0.38754197793160167,0.3037488862997738,0.23163251319306422,0.36971849085052433
EOS-3-54644,Cn1nc(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)cc1-c1cc(CF)nc(C2CC2)n1,ZUTIFFJQYKWOJO-UHFFFAOYSA-N,3,1,0.346,31,694,493.453,3.581,6,0.317,0.54,0.487,0.4416421081488589,0.3875505448564183,0.10723219793023096,0.1938780755260092,0.28257573161537936
EOS-3-54645,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncc(C)o5)nc4)n23)cc1,SJDJNWKXTXXDBN-UHFFFAOYSA-N,3,1,0.635,89,805,398.426,4.037,5,0.441,0.81,1.0,0.689628880816942,0.3494105955726133,0.4254763210198067,0.31254711808649166,0.4442657288739634
EOS-3-54646,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-n5ccc(-c6ncccn6)n5)n4)n23)cc1,BJVNUPIAOAZENF-UHFFFAOYSA-N,3,1,0.279,38,608,498.514,3.292,7,0.351,0.66,0.994,0.0055942019052840795,0.009620656569117949,0.11556781577684874,0.11407717085874855,0.061214961277499834
EOS-3-54647,Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cccnc5F)cn4)n23)cn1,XZKLTOBJMXJZQE-UHFFFAOYSA-N,3,1,0.407,97,412,399.389,3.883,5,0.424,0.76,1.0,0.7733191693509698,0.7055290932766775,0.647565279967103,0.5613734493866082,0.6719467479953396
EOS-3-54648,O=C(Oc1ccc(Cl)cc1)c1ccc(-c2nnc3cncc(-c4ncn(-c5ccccc5)n4)n23)cc1,PLIHTCBYEZZYCP-UHFFFAOYSA-N,3,1,0.36,79,298,493.914,4.912,6,0.248,0.8,1.0,0.1104961962853814,0.4019515454732369,0.5964121718867795,0.6110444794736481,0.42997609827976147
EOS-3-54649,Cn1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc(-c2cc(F)cnc2F)c1=O,HLKUPQWVMKKYGM-UHFFFAOYSA-N,3,1,0.459,37,141,495.877,3.5,5,0.332,0.59,0.999,0.5381827839078884,0.3781354944829004,0.6778921938181071,0.7061887464875608,0.5750998046741141
EOS-3-54650,Clc1cccc(Oc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)c1,CTPMJHWCGPQEJW-UHFFFAOYSA-N,3,1,0.615,57,480,399.841,5.299,5,0.41,0.89,1.0,0.6558666301144541,0.7596891919676513,0.845135700089096,0.8841066410801178,0.7861995408128298
EOS-3-54651,Fc1cc(-c2ccc(Cl)cn2)cc(-c2nnc3cncc(COCCCCc4ccncc4)n23)c1,OOLCFHWWWHSFNS-UHFFFAOYSA-N,3,1,0.383,14,358,488.954,5.58,5,0.252,0.73,1.0,0.31237577959015833,0.34941916249742994,0.6560294016859708,0.7436947433349325,0.5153797717771229
EOS-3-54652,COc1ncc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1-c1cnc(Cl)nc1,VKHUDKQTDFGTDY-UHFFFAOYSA-N,3,1,0.659,84,657,494.342,4.58,5,0.303,0.65,1.0,0.761942293194435,0.7853899664176547,0.6723151257624563,0.654710095264204,0.7185893701596875
EOS-3-54653,Fc1ccc(-c2nnc3cncc(-c4scnc4-c4ccccc4F)n23)c(OC2CCOCC2)c1,OVUULCBVRLEMJT-UHFFFAOYSA-N,3,1,0.347,96,697,491.523,5.418,6,0.327,0.68,1.0,0.30177849359194026,0.4159927352477555,0.48237783565211434,0.67490233705709,0.4687628503872251
EOS-3-54654,Cn1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)n1,SDKWDXRUETVBIH-UHFFFAOYSA-N,3,1,0.449,65,131,399.418,1.998,5,0.426,0.69,1.0,0.3742803783153999,0.17292337742443972,0.08265369063121102,0.06214447262010828,0.1730004797477897
EOS-3-54655,COc1cc(-c2csc(C)n2)ccc1-c1nnc2cncc(OCc3cnn(-c4ccccc4)n3)n12,FWIIYRBZFJIIHM-UHFFFAOYSA-N,3,1,0.429,81,104,496.556,4.392,6,0.32,0.77,1.0,0.13278733465835105,0.14928723185525325,0.22748612158179699,0.14806216160646973,0.16440571242546775
EOS-3-54656,COc1nc(C)ncc1-c1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1Cl,FMCBGUCGNNFWNT-UHFFFAOYSA-N,3,1,0.495,16,253,495.877,4.471,5,0.318,0.69,1.0,0.9316873415118909,0.9322013570008909,0.812178740319375,0.7333116304571311,0.852344767322322
EOS-3-54657,Cc1ncc(-c2nnc3cncc(OCc4cncc(-c5ccnn5C)n4)n23)cn1,YJRQAEVFYHABGP-UHFFFAOYSA-N,3,1,0.411,7,535,400.406,1.659,5,0.433,0.58,1.0,0.3096686313480913,0.13804742649578508,0.05946302515249126,0.032657117401137685,0.1349590500993763
EOS-3-54658,Cc1nnc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cn5)n34)c(CO)c2)cc1F,LFXOORADFNEZNP-UHFFFAOYSA-N,3,1,0.286,52,523,496.506,3.142,6,0.367,0.61,0.819,0.184959906791858,0.2182766774038791,0.25597971352203414,0.28184325954355427,0.23526488931533138
EOS-3-54659,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnn(C)c5)ccn4)n23)cc1,LOZGVGGIPNJNJY-UHFFFAOYSA-N,3,1,0.536,89,744,397.442,3.474,5,0.452,0.83,1.0,0.392382290453019,0.3003221163731067,0.5374031937495717,0.4141422794873552,0.4110624700157632
EOS-3-54660,Cn1ncc(-c2ccc(Cc3cncc4nnc(-c5ccc(CO)cn5)n34)nc2)n1,LRNLTLQSQRFJBI-UHFFFAOYSA-N,3,1,0.303,85,60,399.418,1.46,5,0.472,0.61,0.859,0.12423754369131657,0.06803851689397573,0.15082071139743677,0.1140857377835652,0.11429562744157357
EOS-3-54661,COCc1ncc(-c2cncc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)c2)cn1,CWUYMOUNUCRAJG-UHFFFAOYSA-N,3,1,0.415,2,419,495.33,4.071,5,0.308,0.64,1.0,0.5958039202247961,0.5991021862792132,0.6263193064217668,0.620228222877116,0.6103634089507229
EOS-3-54662,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)cc(F)n2)nc1,JGIKSKCNBUIVAD-UHFFFAOYSA-N,3,1,0.541,73,930,497.263,3.658,5,0.339,0.64,0.871,0.6182578301692825,0.67564765951614,0.5407528613528888,0.5482317867178398,0.5957225344390378
EOS-3-54663,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Oc6ccccn6)nc5)n34)nc2)cs1,NNLLJAQNWHIGMT-UHFFFAOYSA-N,3,1,0.462,28,414,494.54,4.78,6,0.309,0.75,1.0,0.4464567198958262,0.3207799328353094,0.32929545610307726,0.2113888698512782,0.32698024467137277
EOS-3-54664,Cc1nc(-c2nnc3cncc(Oc4cccnc4)n23)ccc1-c1ccnc(F)c1,CVXPEKKTAOSQDO-UHFFFAOYSA-N,3,1,0.362,13,110,399.389,3.883,5,0.424,0.73,1.0,0.7619508601192516,0.6368823247207183,0.589875608251662,0.5420036323761223,0.6326781063669386
EOS-3-54665,COc1nc(C(F)F)ncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,WWBCLQIYWGUYEE-UHFFFAOYSA-N,3,1,0.484,27,675,496.865,4.217,5,0.327,0.68,1.0,0.8889298197519019,0.9459941059557261,0.5931396066068124,0.49817524501404975,0.7315596943321225
EOS-3-54666,Clc1ccc(-c2nnc3cncc(OCc4ccnc(-c5ccncc5)c4)n23)cc1-c1ccccn1,LOVKBZHAZPNXSH-UHFFFAOYSA-N,3,1,0.517,28,942,491.942,5.543,6,0.302,0.67,1.0,0.8327222260297443,0.9164467822630389,0.8121873072441916,0.8127270235076417,0.8435208347611541
EOS-3-54667,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccnn5C)ccn4)n23)cn1,JFPUCNFGVKZXBF-UHFFFAOYSA-N,3,1,0.512,4,205,398.43,2.869,5,0.449,0.72,1.0,0.35100404358851345,0.2441402234253992,0.3183726269618258,0.2082191076691111,0.28043400041121236
EOS-3-54668,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5nccn5C)c4)n23)n(C)n1,CHIOIKWYMORDMM-UHFFFAOYSA-N,3,1,0.443,92,662,401.434,2.208,5,0.445,0.54,1.0,0.2045181961483106,0.11703275992049894,0.07171372764032623,0.03474744705640463,0.10700303269138511
EOS-3-54669,Cc1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(C)c(F)c5F)c4)n23)[nH]1,ADHFAXMRBAUECY-UHFFFAOYSA-N,3,1,0.264,96,558,401.42,5.348,5,0.443,0.77,1.0,0.24553663217051608,0.1814731683914742,0.9574309505859776,0.9502947022136934,0.5836838633404153
EOS-3-54670,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5cnn(C)c5)c4)n23)n1,QVJXLNGYNXGGDC-UHFFFAOYSA-N,3,1,0.455,92,36,399.418,2.264,5,0.443,0.66,1.0,0.24287231855253238,0.14167980261805221,0.20279624426016038,0.12336371736001644,0.17767802069769034
EOS-3-54671,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5cncn5C)c4)n23)n1,UFWCFMCVTQHTKT-UHFFFAOYSA-N,3,1,0.506,7,464,398.43,2.869,5,0.449,0.75,1.0,0.26951545473236926,0.13083407580015077,0.2597320265917346,0.16913679665547254,0.2073045884449318
EOS-3-54672,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4-n4cccc4)n23)c(C)c1,JYYMOVOORJORNZ-UHFFFAOYSA-N,3,1,0.444,43,755,494.534,4.887,6,0.314,0.68,1.0,0.4439466109245425,0.442644438352409,0.5606538277020081,0.5216486190117195,0.4922233739976698
EOS-3-54673,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(-c5cnn(C6CCCCC6)n5)cn4)n23)nc1,UVCYVGRRIHFADU-UHFFFAOYSA-N,3,1,0.389,33,53,496.535,3.023,6,0.358,0.57,0.887,0.19076828181755878,0.06442327462134192,0.002253101226783634,0.004086423137550545,0.06538277020080871
EOS-3-54674,Cc1ncn(C)c1-c1ccc(-c2cncc3nnc(-c4ccc(CF)nc4)n23)cc1,OUWYJCFOCSXKNF-UHFFFAOYSA-N,3,1,0.395,82,336,399.433,4.032,5,0.456,0.72,0.996,0.2772770886162703,0.1772154067575903,0.5066393667329175,0.4552121170584607,0.3540859947913097
EOS-3-54675,Cn1nc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1cncnn1,SRSAKHYQQMTEOS-UHFFFAOYSA-N,3,1,0.495,31,477,400.406,1.393,5,0.416,0.61,0.997,0.34193167020766224,0.08236241518744432,0.03354807758207114,0.031577684874237545,0.12235496196285381
EOS-3-54676,NC(=O)c1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccoc5)c4)n23)cc1,LLMPDZCNBBOUJH-UHFFFAOYSA-N,3,1,0.391,14,357,396.41,3.136,5,0.488,0.84,1.0,0.21271674319786169,0.04897710917688986,0.46863648824617915,0.37644781029401686,0.27669453772873687
EOS-3-54677,Cc1cc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)n(C)n1,PCTALUPAPCFZHA-UHFFFAOYSA-N,3,1,0.398,7,662,399.418,2.264,5,0.443,0.64,1.0,0.17353162908642314,0.09816839147419643,0.10994791309711466,0.07062572818860942,0.11306841546158591
EOS-3-54678,Cc1cc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)n(C)n1,OSCWZDKPFFITQQ-UHFFFAOYSA-N,3,1,0.393,7,662,399.418,2.264,5,0.443,0.66,1.0,0.21006099650469467,0.11123295181961483,0.07396682886710987,0.04549037077650606,0.11018778699198137
EOS-3-54679,COc1ncc(Cc2cncc3nnc(-c4cc(-c5cnn(C)c5)ccn4)n23)cn1,IDJXMMHSFZKZAG-UHFFFAOYSA-N,3,1,0.306,92,976,399.418,1.976,5,0.441,0.61,1.0,0.09117778082379549,0.01978102940168597,0.12974607634843396,0.06888664245082585,0.07739788225618532
EOS-3-54680,CC(C)n1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1Cl,PYQACIBSTQXXQQ-UHFFFAOYSA-N,3,1,0.474,37,482,496.362,4.349,5,0.327,0.68,0.996,0.5671989582619423,0.6662069083681722,0.2490148036460832,0.2907699952025221,0.44329766636968004
EOS-3-54681,CC(C)(O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cn1,BTAJFMIGLXLGCP-UHFFFAOYSA-N,3,1,0.506,68,127,397.826,2.436,4,0.546,0.7,1.0,0.57538037146186,0.6270817627304502,0.4958793091631828,0.29674114179973954,0.4987706462888082
EOS-3-54682,Cn1cnc(-c2ccc(-c3ccnc(-c4nnc5cncc(OCc6cncc(Cl)c6)n45)c3)cn2)n1,NZBBQPDMIWIBFB-UHFFFAOYSA-N,3,1,0.392,6,160,496.922,3.671,6,0.34,0.6,1.0,0.47501028030978,0.447313412377493,0.3401668836954287,0.35051572887396343,0.4032515763141663
EOS-3-54684,Fc1sccc1-c1cc(Cl)cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c1,JVSNOIZJOPQWLI-UHFFFAOYSA-N,3,1,0.547,11,439,486.359,5.982,5,0.276,0.67,1.0,0.8776471797683504,0.8732095127133165,0.8895295044890686,0.9247395654855733,0.8912814406140772
EOS-3-54685,CCc1nc(-c2nnc3cncc(OCc4cccs4)n23)ccc1-c1ccc(-c2nncn2C)nc1,FGEKQRUCDDLCMN-UHFFFAOYSA-N,3,1,0.448,6,826,495.572,4.247,6,0.323,0.63,0.834,0.277285655541087,0.2084846823384278,0.11852340483859913,0.09876807621136317,0.17576545473236926
EOS-3-54686,Cc1cc(F)cc(C2(NC(=O)c3ccc(-c4nnc5cncc(-c6ncc(F)c(C)n6)n45)cc3)CC2)c1,SDGHGBRZNRGIKW-UHFFFAOYSA-N,3,1,0.346,62,124,497.509,4.562,6,0.382,0.71,1.0,0.2695240216571859,0.3207884997601261,0.5273541909396203,0.5482403536426564,0.4164767664998972
EOS-3-54687,Cc1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccc(F)nc5)c4)n23)cn1,NGTJDUHQWVLITC-UHFFFAOYSA-N,3,1,0.373,14,290,397.417,3.682,5,0.43,0.86,1.0,0.312384346514975,0.3590312521417312,0.6384415050373518,0.5987509423617299,0.4771520115139469
EOS-3-54688,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cc2Cl)cs1,ADRKVCIECNHFPU-UHFFFAOYSA-N,3,1,0.542,57,146,486.359,6.248,5,0.294,0.76,1.0,0.9072630388595709,0.9062692755808375,0.9314389006922075,0.946850798437393,0.9229555033925022
EOS-3-54689,Fc1cccc(CCn2c(-c3cncnn3)nnc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,SQHIBRODSMJGLJ-UHFFFAOYSA-N,3,1,0.404,8,474,498.913,3.937,6,0.339,0.77,1.0,0.29922554999657325,0.5279881433760537,0.23475944075114796,0.4859588102254815,0.3869829860873141
EOS-3-54690,c1cncc(-c2cccc(-c3nnc4cncc(OCCc5ccsc5)n34)c2)c1,UTWNPCLCZMMLEJ-UHFFFAOYSA-N,3,1,0.587,35,201,399.479,4.536,5,0.419,0.78,1.0,0.6382101980673017,0.5465441025289562,0.6058700568843808,0.6017407991227469,0.5980912891508464
EOS-3-54691,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cc2)nn1,GJGNHFNKPSHLMI-UHFFFAOYSA-N,3,1,0.33,93,641,497.444,4.786,6,0.342,0.74,0.993,0.31492872318552534,0.38291583853060107,0.85031868960318,0.7973322596120896,0.586373877732849
EOS-3-54692,Cc1cc(C#N)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,CXKURJGUYFRDQG-UHFFFAOYSA-N,3,1,0.302,63,108,395.426,2.926,5,0.569,0.84,1.0,0.1598331163045713,0.10138955520526352,0.2669025426632856,0.3313001165101775,0.2148563326708245
EOS-3-54693,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cccnc5F)n4)n23)cc1,AYJVCYSEIWGGRU-UHFFFAOYSA-N,3,1,0.387,62,916,499.937,4.524,6,0.345,0.89,1.0,0.18792406277842505,0.3003306832979234,0.41413371256253856,0.52501542046467,0.35685096977588926
EOS-3-54694,Fc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccccc5)n4)n23)nc1,SGYLCLMWGJKJAM-UHFFFAOYSA-N,3,1,0.455,1,700,398.401,3.966,5,0.446,0.75,1.0,0.6013210198067301,0.6086971420738811,0.5931481735316291,0.6202367898019328,0.6058507813035433
EOS-3-54695,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(-c6ccccc6)c5)nn4)n23)cn1,VFMLCKGGIFWPEW-UHFFFAOYSA-N,3,1,0.263,30,541,498.514,3.292,7,0.351,0.67,0.043,0.0222483037488863,0.019789596326502637,0.15082927832225346,0.16914536358028923,0.09050313549448291
EOS-3-54696,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)nc1,MWBRLLXFHHPIHB-UHFFFAOYSA-N,3,1,0.37,66,505,395.373,2.469,4,0.558,0.79,1.0,0.18222705777534096,0.1569888972654376,0.5374117606743883,0.4076571174011377,0.32107120827907615
EOS-3-54697,Fc1cc(F)cc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)c2)c1,CSKMDOBOEBJVLY-UHFFFAOYSA-N,3,1,0.603,88,439,486.906,6.212,5,0.286,0.73,1.0,0.9528904804331437,0.9535244328695771,0.9686878897950791,0.9796963881844973,0.9636997978205744
EOS-3-54698,FC(F)Oc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cc(Cl)ccn5)n34)c2)cc1,UEHMPHOCTJDQOA-UHFFFAOYSA-N,3,1,0.582,19,207,495.877,4.52,5,0.31,0.66,1.0,0.7201528339387293,0.8589712836680146,0.8467805496538963,0.8549962305530807,0.8202252244534303
EOS-3-54699,Cn1nnnc1-c1ccc(-c2nnc3cncc(-c4cc(F)cc(C#N)c4)n23)cc1,YSWCPVYEXPAASR-UHFFFAOYSA-N,3,1,0.385,61,917,397.377,2.66,5,0.46,0.76,1.0,0.28561270646288806,0.3687461448838325,0.5640034953053252,0.6315965321088343,0.46248971969022
EOS-3-54700,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccc7ncccc7n6)n5)n34)cc2)n1C,GSOLNESUOYLHLN-UHFFFAOYSA-N,3,1,0.275,38,136,497.526,3.962,7,0.355,0.62,0.998,0.15984168322938797,0.0981769583990131,0.15687752724282092,0.15865088067987115,0.14338676238777326
EOS-3-54701,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5ccccc5)nn4)n23)cc1,UMTWBTKRGPQSED-UHFFFAOYSA-N,3,1,0.318,67,465,499.502,2.687,7,0.347,0.71,1.0,0.04397402508395586,0.026608868480570213,0.06743883215680899,0.10288020012336371,0.06022548146117469
EOS-3-54702,c1cnc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,VGDNZIRFJPTHAM-UHFFFAOYSA-N,3,1,0.477,65,822,397.402,2.055,5,0.424,0.8,1.0,0.5048831471455006,0.36875471180864916,0.10471352203413063,0.09276266191487903,0.26777851072578984
EOS-3-54703,COc1nnccc1Cc1cncc2nnc(-c3ccc(-c4cnc(C)o4)cc3)n12,KUZIGZQUIFXYSH-UHFFFAOYSA-N,3,1,0.348,14,351,399.414,3.144,5,0.444,0.67,1.0,0.3604276608868481,0.18572236310054144,0.2419299568226989,0.15072647522445343,0.23470161400863548
EOS-3-54704,Cn1nncc1-c1cccc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,RYVNTRASXGZZKR-UHFFFAOYSA-N,3,1,0.5,20,846,399.418,1.998,5,0.426,0.64,1.0,0.3581574258104311,0.1944606264135426,0.1185319717634158,0.10493626207936399,0.19402157151668836
EOS-3-54705,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccn(C)n5)cn4)n23)cn1,KHGZYYCGOBVEKM-UHFFFAOYSA-N,3,1,0.506,4,205,398.43,2.869,5,0.449,0.72,1.0,0.3442875745322459,0.2694640531834693,0.30000514015489,0.19108525803577547,0.2762105064765952
EOS-3-54706,CC(=O)N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cc2F)o1,LAZYJRQDTUJOEE-UHFFFAOYSA-N,3,1,0.396,16,379,481.835,2.383,5,0.373,0.37,0.69,0.5282194503461037,0.44732197930230966,0.15688609416763757,0.127578644369817,0.315001542046467
EOS-3-54707,Cn1nc(-c2ccccc2F)cc1-c1nnc2cncc(OCc3cccc(Oc4ccccc4)n3)n12,APCGQTPKSHYKNE-UHFFFAOYSA-N,3,1,0.408,17,960,493.502,5.097,6,0.306,0.67,1.0,0.36043622781166473,0.40196011239805357,0.5640120622301419,0.545207662257556,0.46790401617435406
EOS-3-54708,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)nc2)n(C)n1,QJRNTWWPEIACAP-UHFFFAOYSA-N,3,1,0.376,67,622,495.934,4.798,6,0.335,0.73,1.0,0.4580220683983277,0.5095863888698513,0.49252964155986567,0.43928620382427525,0.47485607566307997
EOS-3-54709,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)n1,XDIPBDCVCKGEOK-UHFFFAOYSA-N,3,1,0.517,15,320,398.43,2.901,5,0.469,0.72,1.0,0.8400897813720787,0.5556593105338907,0.19934377355904326,0.15317661572202043,0.4370673702967583
EOS-3-54710,Cc1ccc(COc2cncc3nnc(-c4cncc(-c5cnnn5C)c4)n23)nn1,BTCRJIDFARULKT-UHFFFAOYSA-N,3,1,0.427,92,36,400.406,1.659,5,0.433,0.58,1.0,0.16557295593173874,0.12041669522308272,0.0782674251250771,0.05337194160784045,0.10440725447193475
EOS-3-54711,FC(F)(F)c1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cncnc6)cc5)n34)n2)nn1,LMHRTQXVQNKHJT-UHFFFAOYSA-N,3,1,0.329,38,270,497.444,4.786,6,0.342,0.71,0.992,0.24554519909533273,0.39220238503186894,0.8967856898087863,0.82466074977726,0.589798505928312
EOS-3-54712,Fc1cccc(-c2nccnc2-c2nnc3cncc(-c4cnn(C5CC5)c4)n23)c1,JBIXZHYZWDVQIJ-UHFFFAOYSA-N,3,1,0.321,50,961,398.405,3.586,6,0.46,0.78,1.0,0.0753375368377767,0.1492957987800699,0.12673908573778356,0.33450414639161125,0.17146914193681034
EOS-3-54713,Cn1cnnc1-c1cnc(F)c(-c2cncc3nnc(-c4ccc(C#N)cc4)n23)c1,JEAAKIAJEGJWPH-UHFFFAOYSA-N,3,1,0.467,61,765,397.377,2.66,5,0.43,0.82,1.0,0.2746127749982866,0.3637344938660818,0.5675844698786924,0.5958810225481461,0.45045319032280173
EOS-3-54714,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncc(Cl)n5)n4)n23)cc1,LYGFOUOXPMECLJ-UHFFFAOYSA-N,3,1,0.458,56,8,497.91,3.066,6,0.337,0.65,1.0,0.4513227331916935,0.47811150709341377,0.14470392707833596,0.15586663011445412,0.3075011993694743
EOS-3-54715,FC(F)Oc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)ccn2)cn1,SZJRDUFMIKQNSY-UHFFFAOYSA-N,3,1,0.523,75,525,495.877,4.52,5,0.29,0.72,1.0,0.8992358303063532,0.9290915632924406,0.8707936399150161,0.8287386059899938,0.8819649098759509
EOS-3-54716,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ccc(Cl)cn5)c4)n23)cn1,CKLSJMWEUXVJTB-UHFFFAOYSA-N,3,1,0.436,55,879,498.934,3.768,6,0.36,0.72,1.0,0.5282280172709204,0.4205075046261394,0.23122130080186415,0.3029607292166404,0.3707293879788911
EOS-3-54717,Cc1ccnc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)c1,AHPOKVHSYYVFPN-UHFFFAOYSA-N,3,1,0.518,97,666,400.467,4.197,5,0.44,0.67,1.0,0.48728668357206495,0.3734322527585498,0.44016003015557537,0.4041446782263039,0.4262559111781235
EOS-3-54718,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)nn1,AELFGZIHAOZQAG-UHFFFAOYSA-N,3,1,0.512,36,506,398.43,2.869,5,0.449,0.71,1.0,0.29129257761633887,0.18997155780960867,0.2927403879103557,0.21443012816119525,0.24710866287437463
EOS-3-54719,Fc1ccc(Cn2ccnc2-c2ccc(-c3cncc4nnc(-c5ccccc5F)n34)o2)cc1Cl,XOFHMQLDRPLWBH-UHFFFAOYSA-N,3,1,0.371,45,140,488.885,5.895,6,0.302,0.66,1.0,0.34429614145706255,0.509594955794668,0.9096446439586047,0.9344116236035912,0.6744868412034816
EOS-3-54720,Cc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)on1,DLJZEEZRGWILMB-UHFFFAOYSA-N,3,1,0.585,87,307,399.414,3.166,5,0.429,0.73,1.0,0.4233003221163731,0.24904907134534987,0.2419385237475156,0.1883952436433418,0.27567079021314506
EOS-3-54721,CCc1ncc(Cc2cncc3nnc(-c4ccc(-c5nnc(C)o5)cn4)n23)cn1,KOCXJCRXBDXJHQ-UHFFFAOYSA-N,3,1,0.296,85,976,399.418,2.488,5,0.439,0.64,0.994,0.06371221986155849,0.07182509766294291,0.025512302104036735,0.015240559248852032,0.044072544719347545
EOS-3-54722,CC1(NC(=O)c2ccc(-c3nnc4cncc(Cc5cnc(-c6cncc(Cl)c6)cn5)n34)nc2)CC1,MBZAXTMWDHYAFE-UHFFFAOYSA-N,3,1,0.34,33,647,497.95,3.565,6,0.377,0.65,0.978,0.18496847371667466,0.2441487903502159,0.0759800561990268,0.1613237612226715,0.16660527037214723
EOS-3-54723,O=c1cnnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)nc2)s1,UCXOTOYOSPPINS-UHFFFAOYSA-N,3,1,0.309,38,787,497.931,3.842,6,0.357,0.67,0.999,0.22366527311356316,0.344647385374546,0.32199643615927626,0.40766568432595435,0.3244936947433349
EOS-3-54724,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4ccnnc4)n23)c1,BVRKMOUACAGXQN-UHFFFAOYSA-N,3,1,0.571,15,438,398.43,2.603,5,0.434,0.73,1.0,0.5200037694469193,0.2902645466383387,0.25273284901651705,0.20822767459392777,0.3178072099239257
EOS-3-54725,c1ccc(-c2ccc(-c3nnc4cncc(-c5cc6ccccc6cn5)n34)cn2)cc1,MLBCKKBIYPNMBF-UHFFFAOYSA-N,3,1,0.325,30,93,400.445,5.069,6,0.415,0.8,0.998,0.19077684874237544,0.22362243848947982,0.6915735727503255,0.7741929956822698,0.4700414639161127
EOS-3-54726,O=C(NC1CCc2cc(F)ccc21)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cn4)n23)cc1,DSNKSMGAIYDOFG-UHFFFAOYSA-N,3,1,0.6,62,319,498.949,4.987,6,0.369,0.82,1.0,0.42099581934068947,0.43839524364334176,0.7999708724556234,0.8103025837845247,0.6174161298060449
EOS-3-54727,CNC(=O)c1ccc(-c2nnc3cncc(C(F)c4ccc(Cl)cn4)n23)cc1,KWGYVCLOZRCFAN-UHFFFAOYSA-N,3,1,0.467,66,225,396.813,3.258,4,0.572,0.68,1.0,0.3017870605167569,0.3207970666849428,0.7804639846480708,0.680830649030224,0.5209696902199986
EOS-3-54728,Clc1ncc(-c2cccc(-c3nnc4cncc(OCc5cc(-c6cncnc6)ncn5)n34)c2)cn1,INKZPEKHDOXZAF-UHFFFAOYSA-N,3,1,0.463,94,868,494.906,3.728,6,0.315,0.55,1.0,0.48492221232266464,0.6270903296552669,0.49946028373654994,0.46453293125899525,0.5190014392433692
EOS-3-54729,Fc1ccc(-c2cc(Cl)ccc2-c2nnc3cncc(Cc4ccc(Cl)cc4Cl)n23)cn1,XJAKFKLAMXZOKP-UHFFFAOYSA-N,3,1,0.337,57,358,484.749,6.543,5,0.272,0.75,1.0,0.4626139401000617,0.7425039407854157,0.9822236310054143,0.9948255774107326,0.7955417723254061
EOS-3-54730,Cc1ncc(-c2nnc3cncc(OCc4nccc(-c5ncccn5)n4)n23)cn1,OGOHBTPZFBPNNX-UHFFFAOYSA-N,3,1,0.389,51,48,398.39,1.716,5,0.431,0.7,1.0,0.4303337673908574,0.3395500651086286,0.032228771160304294,0.018744431498869167,0.20521425878966487
EOS-3-54731,COCc1cnc(-c2nnc3cncc(OCc4nc(C)c(F)c(F)n4)n23)cn1,VCYJPGNXPIYACZ-UHFFFAOYSA-N,3,1,0.355,68,828,400.349,1.683,4,0.446,0.59,1.0,0.520012336371736,0.49629052155438286,0.12147899390034952,0.0908008361318621,0.30714567198958265
EOS-3-54732,Cc1ccc(COc2cncc3nnc(-c4cncnc4-c4ncccn4)n23)nn1,ASLDFCATSZWNER-UHFFFAOYSA-N,3,1,0.429,7,587,398.39,1.716,5,0.431,0.71,1.0,0.2992341169213899,0.19446919333835927,0.03622952504968816,0.026771640052086904,0.13917611884038106
EOS-3-54733,COc1cnc(-c2cncc3nnc(-c4cncnc4-c4ncc(C)nn4)n23)cn1,STURPHIRUGIAOP-UHFFFAOYSA-N,3,1,0.284,50,489,399.378,1.207,5,0.43,0.64,0.988,0.22927660886848056,0.1112415187444315,0.01555753546706874,0.009269412651634569,0.09133626893290384
EOS-3-54734,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccc(C)nc1Cl,DHHNQGAITLFHNG-UHFFFAOYSA-N,3,1,0.364,51,717,493.358,4.795,5,0.311,0.59,0.995,0.5753889383866767,0.565091494757042,0.3293040230278939,0.36679288602563226,0.4591443355493112
EOS-3-54735,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cnc(F)c(C(F)F)c3)n12,AGLJDCGMISCTBT-UHFFFAOYSA-N,3,1,0.495,35,604,493.449,4.35,5,0.294,0.56,1.0,0.8943526831608526,0.8214395860461928,0.8435765197724625,0.7061973134123775,0.8163915255979713
EOS-3-54736,CC(C)(O)c1ncc(-c2nnc3cncc(-c4cccc(-c5c[nH]nn5)n4)n23)cn1,JVYJZELFEVHGJJ-UHFFFAOYSA-N,3,1,0.269,50,974,400.406,1.656,5,0.46,0.59,0.985,0.1057586868617641,0.07183366458775958,0.07598862312384347,0.030541086971420738,0.07103051538619697
EOS-3-54737,CCc1ncc(Cc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(C)n1,QXUQRVTWENVHNQ-UHFFFAOYSA-N,3,1,0.579,66,364,396.401,3.644,4,0.495,0.86,1.0,0.6238520320745665,0.6038653964772805,0.5441282297306559,0.47979062435748066,0.562909070659996
EOS-3-54738,COc1ncc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cc1-c1cccnc1F,NGDJWQBXDATWIH-UHFFFAOYSA-N,3,1,0.469,87,657,495.877,4.205,5,0.31,0.65,0.994,0.8227074909190597,0.8464378726612295,0.7456394352683161,0.6952659173463094,0.7775126790487288
EOS-3-54739,COc1nc(-c2cnc(F)c(C)c2)ccc1-c1nnc2cncc(OCc3cc(F)c(Cl)cn3)n12,BSOHKRXKWHUUQG-UHFFFAOYSA-N,3,1,0.433,73,469,495.877,4.471,5,0.318,0.68,1.0,0.6806850113083408,0.7379120690836817,0.7550373517922007,0.6719638818449729,0.7113995785072991
EOS-3-54740,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5nc(C)co5)n4)n23)cc1,VVZCLCYNEJUIMF-UHFFFAOYSA-N,3,1,0.558,1,268,398.426,4.037,5,0.441,0.79,1.0,0.5406843259543554,0.3687632787334658,0.3332533753683778,0.2434034678911658,0.3715261119868412
EOS-3-54741,CC(C)(O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cn1,CWAFEPCDZKFGBL-UHFFFAOYSA-N,3,1,0.354,82,195,397.442,3.266,5,0.5,0.76,0.957,0.017502227400452333,0.07880714138852718,0.5997104379411966,0.41732060859433895,0.2783351038311288
EOS-3-54742,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5ccnc(F)c5)ncn4)n23)cn1,PKSBEKGBTNWNLB-UHFFFAOYSA-N,3,1,0.36,85,290,398.405,3.077,5,0.429,0.71,1.0,0.327239394147077,0.34465595229936263,0.4580991707216778,0.42363443218422314,0.38840723733808513
EOS-3-54743,N#Cc1cncc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c1,OMOLHQGFWSPMSB-UHFFFAOYSA-N,3,1,0.63,90,555,397.225,3.944,4,0.518,0.77,1.0,0.9024227263381537,0.9524021657185937,0.9385066136659584,0.9541498183811938,0.936870331025975
EOS-3-54744,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5ccc(F)nc5)c4)n23)nc1,NDBJMYWWBIWIGN-UHFFFAOYSA-N,3,1,0.416,97,344,499.481,3.998,6,0.337,0.81,1.0,0.43712733877047494,0.26947262010828593,0.5543400041121239,0.5958895894729628,0.4642073881159619
EOS-3-54745,Cn1c(Cc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cnc1C(O)C1CCCC(F)(F)C1,QBQKROBXTMLTKA-UHFFFAOYSA-N,3,1,0.347,78,345,490.917,4.767,5,0.436,0.44,1.0,0.3695942704406826,0.5235162086217532,0.7355989993831814,0.8602563223905147,0.622241450209033
EOS-3-54746,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)c(F)c1)N1CCCOC1,FYPWQXFUMDISOU-UHFFFAOYSA-N,3,1,0.4,62,376,498.493,4.619,6,0.336,0.83,0.999,0.237517990542115,0.14930436570488656,0.3257144815297101,0.5216571859365362,0.30854850592831196
EOS-3-54747,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n(C)n1,LGFXSWCYMCCCAQ-UHFFFAOYSA-N,3,1,0.512,24,912,398.43,2.869,5,0.449,0.72,1.0,0.26675690494140225,0.15699746419025426,0.16645534918785554,0.11650161058186553,0.1766778322253444
EOS-3-54748,c1ccc(-n2ccnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccn6)cc5)n34)cn2)cc1,SJWRDLANIDVXDA-UHFFFAOYSA-N,3,1,0.338,69,987,493.534,5.163,7,0.326,0.58,1.0,0.04549037077650606,0.04549893770132273,0.49588787608799945,0.49505688438078266,0.27048351723665276
EOS-3-54749,Cn1cncc1-c1ccnc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,CKELNGMJTYEHCD-UHFFFAOYSA-N,3,1,0.459,18,211,398.43,2.603,5,0.434,0.7,1.0,0.39239085737783563,0.08576348433966144,0.26691110958810227,0.21704304023027893,0.24052712288396955
EOS-3-54750,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)nn1,RUSMSLGIDBZHTG-UHFFFAOYSA-N,3,1,0.477,4,506,398.43,2.869,5,0.449,0.69,1.0,0.27729422246590363,0.14533787951476937,0.27036358028921936,0.1964310191213762,0.22235667534781714
EOS-3-54751,CCn1cc(-c2cccc(-c3nnc4cncc(CCc5cnc(C)o5)n34)c2)cn1,PMRASBMEVHRIAG-UHFFFAOYSA-N,3,1,0.379,85,351,399.458,3.756,5,0.432,0.71,1.0,0.08849633335617847,0.04898567610170653,0.15381056815845384,0.1255568501130834,0.10421235693235556
EOS-3-54752,Fc1cnc(-c2cccnn2)nc1COc1cncc2nnc(-c3cnc(-c4cncnc4)c(F)c3)n12,HLSSBWXEINKLJI-UHFFFAOYSA-N,3,1,0.406,80,843,497.429,2.748,6,0.335,0.62,1.0,0.6182663970940991,0.5743951751079432,0.2703721472140361,0.29077856212733877,0.43845307038585435
EOS-3-54753,Cn1ncc(-c2ccc(-c3nnc4cncc(-c5cnc(C#N)c(F)c5)n34)cc2)n1,DZBAFCXYNFLTNO-UHFFFAOYSA-N,3,1,0.346,61,336,397.377,2.66,5,0.46,0.77,1.0,0.35101261051333016,0.3446645192241793,0.5773593310945103,0.5420121993009389,0.45376216503323974
EOS-3-54754,Cc1cccc(-c2nn3cc(C#N)cnc3c2-c2cncc3nnc(-c4ccccc4OC(F)F)n23)n1,UBNGUPMWEIANDM-UHFFFAOYSA-N,3,1,0.358,96,121,495.453,4.345,6,0.346,0.64,0.114,0.3810910835446508,0.47351106846686314,0.6503152628332534,0.6749109039819067,0.5449570797066685
EOS-3-54755,O=C(c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(Cl)nn4)n23)cc1)N1CCOCC1,YGLYLUDMQGBUFN-UHFFFAOYSA-N,3,1,0.448,52,229,500.91,2.226,6,0.361,0.78,0.921,0.11050476321019807,0.07538893838667672,0.004694674799533959,0.022471043794119662,0.0532648550476321
EOS-3-54756,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(Cl)c4)n23)cc1,LYKUPVJFBFDVQM-UHFFFAOYSA-N,3,1,0.608,48,646,395.825,3.468,4,0.56,0.83,1.0,0.4345658282502913,0.4426530052772257,0.7804725515728874,0.7835480775820711,0.6103098656706188
EOS-3-54757,Cc1cc(COc2cncc3nnc(-c4cc(-c5ccccc5)cnn4)n23)n(C)n1,MIQQKVLODWWPCM-UHFFFAOYSA-N,3,1,0.378,53,207,398.43,2.869,5,0.449,0.7,1.0,0.20735384826262765,0.13805599342060174,0.16336268932903844,0.15587519703927077,0.16616193201288465
EOS-3-54758,Cn1cc(-c2nc(-c3nnc4cncc(OCCc5ccc(-c6ncnn6C)nc5)n34)ccc2F)cn1,QNWXBNLZYHIQTO-UHFFFAOYSA-N,3,1,0.433,31,549,497.498,2.538,6,0.327,0.66,1.0,0.48729525049688166,0.3494277294222466,0.13554588444931806,0.1165101775066822,0.2721947604687821
EOS-3-54759,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-n5ccc(-c6ccnnc6)n5)n4)n23)cc1,QNQSYBQXKNJWMZ-UHFFFAOYSA-N,3,1,0.276,38,465,498.514,3.292,7,0.351,0.63,1.0,0.008164279350284421,0.009629223493934616,0.1993523404838599,0.19109382496059216,0.10205991707216777
EOS-3-54760,Cc1nccc(COc2cncc3nnc(-c4cccc(-c5ccn(C)n5)c4)n23)n1,NMKUXOSBGOXRPG-UHFFFAOYSA-N,3,1,0.473,4,506,398.43,2.869,5,0.449,0.71,1.0,0.334821122609828,0.23892296621204853,0.2383404153245151,0.1586594476046878,0.24268598793776985
EOS-3-54761,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cccnn5)n34)c2)n1C,QPAGJAACXLYVQQ-UHFFFAOYSA-N,3,1,0.478,4,506,398.43,2.869,5,0.449,0.71,1.0,0.32724796107189363,0.1857309300253581,0.22371667466246317,0.16133232814748819,0.22450697347680076
EOS-3-54762,Cn1cncc1-c1ccc(-c2nnc3cncc(-c4ncc(OCc5ccc(Cl)nn5)nn4)n23)cn1,ZIZSAETYFFRVNN-UHFFFAOYSA-N,3,1,0.309,99,754,498.898,2.461,6,0.333,0.7,0.923,0.36960283736549926,0.39221095195668565,0.09457884997601261,0.10936536220958125,0.2414395003769447
EOS-3-54763,Cc1ccc(-c2nnc3cncc(Cc4ccnc(-c5cccnc5F)c4)n23)cn1,IUEDZIUTZAKIQD-UHFFFAOYSA-N,3,1,0.383,14,290,397.417,3.682,5,0.43,0.84,1.0,0.34430470838187927,0.37344081968336645,0.6027174285518471,0.5645689123432253,0.4712579672400795
EOS-3-54764,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cn1,QQHSTXBEUKCIQM-UHFFFAOYSA-N,3,1,0.537,90,555,395.81,2.173,4,0.551,0.79,1.0,0.528236584195737,0.5188900692207525,0.22036700705914605,0.17728394215612364,0.36119440065793984
EOS-3-54765,Cc1nc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc(-c2nnsc2C)n1,NROFWOKOZWICKJ-UHFFFAOYSA-N,3,1,0.433,89,398,499.56,3.188,6,0.358,0.76,0.929,0.2559711465972175,0.20364436981701048,0.016294291001302173,0.014752244534301967,0.12266551298745802
EOS-3-54766,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5cn(Cc6ccccc6)nn5)n34)c2)c(F)c1,JRVCCCLRJMBYKB-UHFFFAOYSA-N,3,1,0.656,77,177,496.481,4.35,6,0.324,0.66,1.0,0.24832944966074977,0.3395586320334453,0.5898841751764786,0.6284267699266671,0.45154975669933517
EOS-3-54767,CC(F)(F)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncc(-c6ccccn6)n5)n4)n23)cn1,IJMVUPRXRXPTCR-UHFFFAOYSA-N,3,1,0.366,76,368,493.481,4.879,6,0.334,0.53,1.0,0.2616767185251182,0.35903981906654786,0.7279059008978137,0.6047220889589473,0.4883361318621068
EOS-3-54768,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cccnc5F)c4)n23)nc1-c1cccnn1,IDHBXNNROIPLHE-UHFFFAOYSA-N,3,1,0.49,28,218,495.453,3.958,6,0.317,0.58,0.994,0.567207525186759,0.5991107532040298,0.5742923720101433,0.554905421150024,0.573879017887739
EOS-3-54769,C#Cc1cc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(F)n4)n23)cn1,ZFUJWBISWRPBNQ-UHFFFAOYSA-N,3,1,0.381,46,775,493.289,4.045,5,0.267,0.6,0.992,0.8492992255499966,0.7976064012062231,0.6940836817216092,0.7361729833458982,0.7692905729559317
EOS-3-54770,Cc1cnc(-c2cccc(-c3cncc4nnc(-c5ccnc(CF)c5)n34)c2)nn1,XUEFQXCHAMCOFS-UHFFFAOYSA-N,3,1,0.304,61,336,398.405,3.483,5,0.457,0.71,1.0,0.21272531012267837,0.17293194434925638,0.33326194229319445,0.33768247549859504,0.26415041806593104
EOS-3-54771,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccc(Cl)nn6)cc5)n34)nn2)n(C)n1,WNDFZQPBTFCHKT-UHFFFAOYSA-N,3,1,0.372,67,622,496.922,4.193,6,0.345,0.68,1.0,0.482463504900281,0.5235247755465698,0.3037574532245905,0.2907871290521554,0.4001332156808992
EOS-3-54772,c1cnc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)cn1,HRHVCCUKZVQHPL-UHFFFAOYSA-N,3,1,0.513,65,324,397.402,2.055,5,0.424,0.79,1.0,0.4946713727640326,0.38755911178123503,0.12674765266260024,0.11409430470838187,0.2807681104790624
EOS-3-54773,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccn1,SVOCMLMGXNCBSZ-UHFFFAOYSA-N,3,1,0.57,75,359,399.418,1.998,5,0.426,0.65,1.0,0.35569015146323074,0.16072407648550477,0.1267562195874169,0.10937392913439792,0.18813609416763757
EOS-3-54774,Cc1cc(-c2nnc3cncc(OCCc4ccnc(C)c4F)n23)ccc1Cl,FTMAZYHWEZLTDR-UHFFFAOYSA-N,3,1,0.612,90,636,397.841,4.217,4,0.504,0.76,1.0,0.9007179082996367,0.9472020423548763,0.8230930025358097,0.8016414227948736,0.868163593996299
EOS-3-54775,Cn1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc(-c2cc(Cl)nc(Cl)n2)c1=O,TWFFYQDXAYFLSZ-UHFFFAOYSA-N,3,1,0.453,65,76,495.33,3.27,5,0.261,0.7,1.0,0.4323469947227743,0.30033925022274005,0.36301487218148176,0.4236429991090398,0.379836029059009
EOS-3-54776,CC#Cc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,VAJQOEAPOZPUCE-UHFFFAOYSA-N,3,1,0.349,63,437,395.426,2.512,5,0.533,0.88,1.0,0.11621890206291549,0.052729422246590364,0.14471249400315264,0.15588376396408746,0.11738614556918647
EOS-3-54777,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5cccnn5)cnn4)n23)cn1,KNZFGFJGDMCCHC-UHFFFAOYSA-N,3,1,0.387,53,587,398.39,1.716,5,0.431,0.69,1.0,0.30967719827290796,0.22874545952984718,0.07599719004866014,0.06215303954492495,0.16914322184908503
EOS-3-54778,c1ccc(-c2nc(-c3ccc(-c4cncc5nnc(-c6ccc(-c7ccccn7)cc6)n45)nn3)no2)cc1,BZGWUCLFJFQFHX-UHFFFAOYSA-N,3,1,0.333,93,93,495.506,5.027,7,0.324,0.7,1.0,0.1134774861215818,0.1416883695428689,0.31838119388664243,0.3796090055513673,0.23828901377561512
EOS-3-54779,COc1cc(-c2cccc(F)c2)ccc1-c1nnc2cncc(-c3ccnnc3)n12,JJYKHNHDZYIIDB-UHFFFAOYSA-N,3,1,0.39,96,697,398.401,4.063,5,0.454,0.73,1.0,0.432355561647591,0.4735196353916798,0.8339387293537112,0.8127355904324584,0.63813737920636
EOS-3-54780,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnccn5)n4)n23)cc1F,ZJHLAPXXGRXTJA-UHFFFAOYSA-N,3,1,0.377,85,357,500.925,3.919,6,0.376,0.83,1.0,0.22928517579329724,0.2902731135631554,0.2963641971078062,0.4332465218285244,0.31229225207319583
EOS-3-54781,Clc1ccc(-c2nccn2-c2cccc(-c3nnc4cncc(OCCc5cccnc5)n34)n2)nc1,DQDJYCCCBYVYDS-UHFFFAOYSA-N,3,1,0.434,6,414,495.934,4.104,6,0.325,0.62,1.0,0.5840500993763279,0.4781200740182304,0.307227057775341,0.3568209855390309,0.4315545541772326
EOS-3-54782,c1nc(-c2ccc(-c3nnc4cncc(-c5nnn(-c6cnoc6)n5)n34)cc2)no1,LDRYYDRADOCQEW-UHFFFAOYSA-N,3,1,0.324,8,927,399.334,1.472,6,0.423,0.66,1.0,0.07726509492152697,0.04180659310533891,0.027705434857103695,0.03789150846412172,0.046167157837022826
EOS-3-54783,Fc1cccc(CCc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)c1,OAQMFOBNGQADIV-UHFFFAOYSA-N,3,1,0.417,14,580,397.417,3.568,5,0.451,0.8,1.0,0.35337708176273047,0.4064834487012542,0.4925382084846823,0.5420207662257556,0.4486048762936057
EOS-3-54784,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5cc(Cl)nc(Cl)n5)n4)n23)nc1,CMQUMYKYMISYHS-UHFFFAOYSA-N,3,1,0.269,99,286,493.282,1.721,6,0.26,0.55,0.687,0.00817284627510109,0.14169693646768555,0.014889315331368651,0.0417551915564389,0.051628572407648544
EOS-3-54785,CCOc1ncc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1ccc(Cl)cn1,BRVRVARGSRWBRS-UHFFFAOYSA-N,3,1,0.427,55,565,494.342,4.928,5,0.294,0.71,1.0,0.6956685628126927,0.7238794462339798,0.6589164553491879,0.6462288396957029,0.6811733260228908
EOS-3-54786,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(-c5cncnn5)c4)n23)cn1,NNZQQJAHTMLRAG-UHFFFAOYSA-N,3,1,0.436,89,205,499.922,3.163,6,0.358,0.74,1.0,0.467428551847029,0.40649201562607085,0.18907203070385856,0.269960934822836,0.3332383832499486
EOS-3-54787,CCn1c(C)nnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,RWQVVJIOLBYHPS-UHFFFAOYSA-N,3,1,0.398,52,310,499.51,3.597,6,0.36,0.74,0.89,0.3966657528613529,0.3297323692687273,0.044822150640805976,0.06216160646974162,0.20834546981015695
EOS-3-54788,Cc1nc(COc2cncc3nnc(-c4cncc(-c5ncccc5C)c4)n23)co1,PTIRYGWHTVNTKF-UHFFFAOYSA-N,3,1,0.471,2,464,399.414,3.432,5,0.443,0.71,1.0,0.314937290110342,0.17294051127407306,0.2383489822493318,0.1586680145295045,0.22122369954081283
EOS-3-54789,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc([N+](=O)[O-])cc4)n23)c1,KRSQWVKPZMLDKJ-UHFFFAOYSA-N,3,1,0.453,25,917,399.374,2.557,5,0.333,0.82,1.0,0.11622746898773216,0.008866767185251182,0.13555445137413474,0.06710472208895894,0.08193835240901927
EOS-3-54790,Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccn(C)n5)n34)ccn2)ncn1,COQDNMFKJKAOQY-UHFFFAOYSA-N,3,1,0.44,7,99,399.418,2.264,5,0.443,0.64,1.0,0.1762816119525735,0.11704132684531561,0.1508378452470701,0.0869971215132616,0.1327894763895552
EOS-3-54791,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Br)c5F)n34)ccc2F)cn1,ACWRCMFFUOGAGM-UHFFFAOYSA-N,3,1,0.524,16,394,498.291,4.207,5,0.361,0.66,1.0,0.7261325474607635,0.6856195600027414,0.8862141045850181,0.8584744020286478,0.7891101535192927
EOS-3-54792,Cc1nnc(-c2cc(-c3cc(-c4nnc5cncc(OCc6ccns6)n45)ncn3)cs2)s1,ZEIKVBLWDUJKJF-UHFFFAOYSA-N,3,1,0.398,6,395,491.587,4.172,6,0.338,0.47,0.121,0.3533856486875471,0.25908094030566786,0.044830717565622645,0.04410252895620588,0.1753499588787609
EOS-3-54793,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5cnn(-c6nccc(Cl)n6)c5)n34)c2)nn1,NUFGUYAEMWYEHT-UHFFFAOYSA-N,3,1,0.412,71,247,497.91,3.16,6,0.316,0.69,1.0,0.29676684257418956,0.34467308614899594,0.1664639161126722,0.1772925090809403,0.2462990884791995
EOS-3-54794,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(Br)cn4)n23)ccc1F,CVOBQJDHXHPHRT-UHFFFAOYSA-N,3,1,0.5,73,911,498.291,4.207,5,0.361,0.68,1.0,0.707859296826811,0.685628126927558,0.8533856486875471,0.8208313343842094,0.7669261017065314
EOS-3-54795,Fc1cc(-c2cnnc(COc3cncc4nnc(-c5cc(-c6ccccn6)ccc5F)n34)n2)ccn1,BZGGVQBHWNSNDK-UHFFFAOYSA-N,3,1,0.392,28,177,495.453,3.958,6,0.317,0.58,1.0,0.6013295867315468,0.6466400520869029,0.5743009389349599,0.5987595092865465,0.605257521759989
EOS-3-54796,c1cc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ncn2)ccn1,QXHUGIRNOQZNCJ-UHFFFAOYSA-N,3,1,0.424,18,116,397.402,2.055,5,0.424,0.79,0.996,0.3880045918717017,0.18573949695017478,0.12409190596943322,0.11651874443149887,0.20358868480570216
EOS-3-54797,Cc1nc(-c2cnc(F)cn2)c(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)n1C(C)C,KTWGMAPJUXPFEQ-UHFFFAOYSA-N,3,1,0.329,98,882,495.526,3.936,6,0.353,0.55,0.941,0.13542594750188472,0.22363100541429648,0.13885271742855185,0.10288876704818038,0.15019960934822837
EOS-3-54798,Fc1cc(-c2nnc3cncc(-c4ccc(-c5cccs5)nn4)n23)ccc1-c1ccc(Cl)cc1,PLMYIKSIVQOYKB-UHFFFAOYSA-N,3,1,0.384,3,950,484.947,6.436,6,0.288,0.7,1.0,0.29924268384620656,0.5991193201288465,0.8787094784456172,0.9257761633883901,0.6757119114522652
EOS-3-54799,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ncn1,RCVMHBATKXBLSJ-UHFFFAOYSA-N,3,1,0.5,31,194,399.418,1.998,5,0.426,0.63,0.975,0.35816599273524774,0.09184600095949558,0.08266225755602769,0.0636865190871085,0.14909019258446987
EOS-3-54800,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cocn5)c4)n23)cc1,NYMCXWGZNHGSNZ-UHFFFAOYSA-N,3,1,0.35,62,3,396.41,3.473,5,0.499,0.79,1.0,0.23752655746693166,0.0644318415461586,0.5066479336577342,0.40142896305942016,0.3025088239325611
EOS-3-54801,C#Cc1ncc(-c2nnc3cncc(OCc4cncc(C(F)(F)F)c4)n23)cn1,UBLRCVTYXUKGLP-UHFFFAOYSA-N,3,1,0.47,68,900,397.32,2.555,4,0.489,0.72,1.0,0.6806935782331575,0.6038739634020972,0.9420361866904257,0.8464978411349462,0.7682753923651566
EOS-3-54802,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5ccc(F)nn5)nc4)n23)cn1,IHUCFNMXNOEQSN-UHFFFAOYSA-N,3,1,0.383,85,81,398.405,3.077,5,0.459,0.65,0.993,0.32205640463299295,0.32532896991296006,0.4002038928106367,0.37328661503666644,0.35521897059831403
EOS-3-54803,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4ccccc4Cl)cn3)n12,ORLQMIBPQDVKTK-UHFFFAOYSA-N,3,1,0.366,62,302,496.958,5.075,6,0.352,0.8,1.0,0.362595092865465,0.3687718456582825,0.517356589678569,0.5867743814680282,0.4588744774175862
EOS-3-54804,Cn1nc(-c2ccccc2Cl)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CCOC4)cc3)n12,BCETYJKEVXHXNL-UHFFFAOYSA-N,3,1,0.336,62,124,500.95,3.426,6,0.393,0.81,1.0,0.16816016722637242,0.19447776026317593,0.09234288259886231,0.18021383044342404,0.15879866013295868
EOS-3-54805,N#Cc1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)c(F)c1,DNHMFRAZCOZBNP-UHFFFAOYSA-N,3,1,0.506,68,127,397.32,3.109,4,0.51,0.73,1.0,0.8200089096018094,0.9164553491878555,0.9153930505105887,0.8771588650538003,0.8822540435885134
EOS-3-54806,Cn1cc(-c2cccc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)cn1,VJIYTIQOODWSLG-UHFFFAOYSA-N,3,1,0.622,15,393,397.442,3.208,5,0.438,0.82,1.0,0.4873038174216983,0.2694811870331026,0.4994688506613666,0.42067027619765607,0.41923103282845586
EOS-3-54807,FC(F)(F)c1cccc(-c2ccc(-c3nnc4cncc(-c5cnnc(-c6ccnnc6)n5)n34)cc2)n1,BJZQWZUPJYMIDR-UHFFFAOYSA-N,3,1,0.326,38,186,498.432,4.181,6,0.352,0.65,1.0,0.3324395175107943,0.44266157220204233,0.8322253443903777,0.7437033102597491,0.5877574360907408
EOS-3-54808,Cc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(-c6ccon6)nn5)n34)c2)c(C)n1,DKZBCGCIAHLBJD-UHFFFAOYSA-N,3,1,0.533,6,218,495.478,4.028,6,0.334,0.58,1.0,0.5253837982317867,0.4781286409430471,0.2891594133369886,0.24895483517236652,0.3854066719210472
EOS-3-54809,Cc1nc(-c2ccncc2)c(-c2cncc3nnc(-c4ccc(CO)nc4)n23)n1C,RLILUOJSZCSVEU-UHFFFAOYSA-N,3,1,0.337,82,974,398.43,2.45,5,0.495,0.66,1.0,0.14908162565965322,0.11125008566924817,0.15084641217188677,0.13617126996093482,0.13683734836543074
EOS-3-54810,N#Cc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,FAJUMQMFCCPVTL-UHFFFAOYSA-N,3,1,0.714,23,17,397.772,4.174,4,0.516,0.73,1.0,0.9960249468850662,0.9966331985470496,0.9859074086765814,0.9890943047083819,0.9919149647042698
EOS-3-54811,CCOCc1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cn1,JAOWMAXCPOBWSH-UHFFFAOYSA-N,3,1,0.494,7,127,397.826,2.745,4,0.469,0.72,1.0,0.47768316085258034,0.5945788499760126,0.2597405935165513,0.22545576040024673,0.38936459118634775
EOS-3-54812,Cc1cc(COc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)n(C)n1,SZHPEDJGTQODBY-UHFFFAOYSA-N,3,1,0.43,92,131,399.418,2.264,5,0.443,0.62,1.0,0.26433246521828524,0.14931293262970324,0.09458741690082928,0.05775820711397437,0.14149775546569804
EOS-3-54813,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4cncnn4)n23)ncn1,VCYGRMBWQFOGRV-UHFFFAOYSA-N,3,1,0.372,31,105,401.394,0.788,5,0.402,0.53,1.0,0.31494585703515865,0.06444040847097526,0.020552052635186075,0.01643136179836886,0.1040924199849222
EOS-3-54814,Fc1ccc(F)c(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)ccn2)c1,XTQKOSCJMLFDEQ-UHFFFAOYSA-N,3,1,0.529,12,427,492.489,5.773,6,0.294,0.74,1.0,0.9438866424508259,0.8788893838667672,0.9220495510931396,0.9120176821328216,0.9142108148858885
EOS-3-54815,N#Cc1ccc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1,JDGPJLZOFRURHS-UHFFFAOYSA-N,3,1,0.466,0,916,394.438,3.146,5,0.561,0.9,1.0,0.2913011445411555,0.19907819888972655,0.440168597080392,0.49506545130559937,0.35640334795421835
EOS-3-54816,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cccc(-n5nnc(-c6ccccn6)n5)n4)n23)cc1,PMTSWKHUKHUTAJ-UHFFFAOYSA-N,3,1,0.289,52,423,501.514,2.783,7,0.364,0.84,1.0,0.04254334863957234,0.03814851620862175,0.026557466931670208,0.042868891782605716,0.03752955589061751
EOS-3-54817,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cn1,XMSZLPVOQZNKDW-UHFFFAOYSA-N,3,1,0.542,90,555,395.81,2.173,4,0.516,0.81,1.0,0.5644061407717086,0.5008909601809335,0.2669196765129189,0.20235933109451032,0.3836440271400178
EOS-3-54818,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ncn(C(F)F)n4)c(F)n3)n12,MFXHSCGRDZHELD-UHFFFAOYSA-N,3,1,0.388,46,223,491.796,3.746,5,0.261,0.55,0.891,0.5984768007675965,0.6564149133027208,0.7889795079158385,0.7717514221095195,0.7039056610239188
EOS-3-54819,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,PXIDYTZMTQEUGU-UHFFFAOYSA-N,3,1,0.568,90,12,394.822,2.778,4,0.559,0.86,1.0,0.6529110410527037,0.532468645055171,0.4720032896991296,0.37961757247618394,0.509250137070797
EOS-3-54820,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cccc(Cl)n5)n4)n23)cn1,VESHFHGSUGDALM-UHFFFAOYSA-N,3,1,0.443,80,34,496.922,3.671,6,0.318,0.62,1.0,0.48731238434651497,0.5324772119799877,0.20280481118497704,0.20823624151874442,0.357707662257556
EOS-3-54821,COCc1nnc(COc2cncc3nnc(-c4ccc(C)cc4Cl)n23)n1C,BHEODZDJLWKYRS-UHFFFAOYSA-N,3,1,0.512,90,404,399.842,2.607,4,0.492,0.54,1.0,0.39882461791515317,0.5371804537043383,0.061561921732574874,0.10289733397299705,0.27511608183126585
EOS-3-54822,N#Cc1ccc(-c2nnc3cncc(OCc4noc(-c5cnccn5)n4)n23)cc1,ALNCJWJWBKHTTE-UHFFFAOYSA-N,3,1,0.525,51,540,397.358,2.082,5,0.433,0.84,1.0,0.6042766088684806,0.5744037420327599,0.1695737098211226,0.18840381056815844,0.38416446782263036
EOS-3-54823,COc1nc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1-c1ncccc1F,OFQDPOBYUFSZGI-UHFFFAOYSA-N,3,1,0.396,49,501,496.865,3.6,5,0.333,0.58,0.999,0.7201614008635461,0.6466486190117195,0.38919539442121853,0.41415084641217187,0.542539065177164
EOS-3-54824,Cn1c(-c2cccnc2)nnc1-c1cncc2nnc(-c3ccc([N+](=O)[O-])cc3)n12,NAWHZEVAUHILCM-UHFFFAOYSA-N,3,1,0.459,8,311,399.374,2.557,5,0.333,0.81,1.0,0.09118634774861216,0.01239634020971832,0.061570488657391544,0.028784867384003838,0.048484510999931466
EOS-3-54825,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cnn(CCCCC5CCCCC5)n4)n23)cc1,YAZOUFQQWINUKF-UHFFFAOYSA-N,3,1,0.363,5,701,498.635,4.616,6,0.32,0.85,0.996,0.07727366184634364,0.029230347474470564,0.0002484408196833665,0.0035124391748338015,0.027566222328832844
EOS-3-54826,Cc1nc(-c2cncnc2)cc(-c2cncc3nnc(-c4cccnc4-c4ncc(Cl)cc4F)n23)n1,DGSYXILIBZASQI-UHFFFAOYSA-N,3,1,0.264,94,165,496.897,4.263,6,0.352,0.6,1.0,0.24555376602014942,0.3875676787060517,0.4105270372147214,0.4739137139332465,0.37939054896854224
EOS-3-54827,CCOc1cc(F)cc(F)c1COc1cncc2nnc(-c3ccc(C)nc3)n12,ZKXUQNZJVYOBIQ-UHFFFAOYSA-N,3,1,0.5,90,555,397.385,3.751,4,0.493,0.78,1.0,0.8043571379617572,0.7896305942019053,0.8100798437392913,0.692490233705709,0.7741394524021656
EOS-3-54828,COc1nc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3ccc(-c4cncnn4)cc3Cl)n12,SWJBBHBGAKICPB-UHFFFAOYSA-N,3,1,0.297,52,336,499.922,3.26,6,0.373,0.73,0.994,0.3857000890960181,0.32080563360975944,0.11259509286546501,0.17459392776368995,0.24842368583373314
EOS-3-54829,Brc1cnn(-c2cccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cn5)n34)n2)n1,GBSOQERRSLCZCY-UHFFFAOYSA-N,3,1,0.31,76,687,497.32,3.654,6,0.363,0.56,0.997,0.020269344116236036,0.11125865259406484,0.14178260571585224,0.18841237749297512,0.11543074497978206
EOS-3-54830,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4[nH]c(-c5ccccc5)nc4-c4ccccc4)n23)cc1,ICZJGFJTLUJNFB-UHFFFAOYSA-N,3,1,0.351,21,810,495.55,5.311,7,0.347,0.73,1.0,0.09820265917346309,0.08895038037146186,0.407468645055171,0.4584418477143445,0.2632658830786101
EOS-3-54831,N#Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5cccs5)n34)nc2)cn1,QXQLLNMHSPFCRM-UHFFFAOYSA-N,3,1,0.363,7,85,398.411,3.369,5,0.452,0.71,1.0,0.41864848194092247,0.3104824892056747,0.35899698444246453,0.3156226440956754,0.35093764992118426
EOS-3-54832,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccc(Cl)nc6)nc5)n34)nc2)n1C,VSOLNIYBSKKZJM-UHFFFAOYSA-N,3,1,0.337,42,318,495.934,4.798,6,0.314,0.72,1.0,0.5331539990405044,0.5744123089575766,0.5066565005825509,0.4392947707490919,0.513379394832431
EOS-3-54833,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1cc(F)cnc1F,FZADELSVLXVSIT-UHFFFAOYSA-N,3,1,0.479,35,657,495.877,4.205,5,0.31,0.61,1.0,0.8757110547597834,0.8464464395860462,0.7712631073949695,0.7119200191899115,0.8013351552326776
EOS-3-54834,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5ccc(C)c(F)c5)cn4)n23)cn1,DMHDFQRKQMSXAB-UHFFFAOYSA-N,3,1,0.286,82,155,397.417,4.066,5,0.457,0.82,1.0,0.23190665478719757,0.3446816530738126,0.6384500719621684,0.6256082516619834,0.4601616578712905
EOS-3-54835,Cc1ncc(-c2cccc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)o1,NUDMSFBJKFCCQJ-UHFFFAOYSA-N,3,1,0.63,15,655,398.426,3.771,5,0.43,0.74,1.0,0.5753975053114934,0.4019686793228703,0.35546741141799737,0.2818518264683709,0.40367135563018297
EOS-3-54836,Cc1sc(-c2cccs2)nc1COc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,HBCAHAOECSCDBD-UHFFFAOYSA-N,3,1,0.494,28,120,488.623,5.987,6,0.287,0.72,1.0,0.4535329997943938,0.4560088410664108,0.192490233705709,0.1992752381605099,0.3253268281817559
EOS-3-54837,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(-c6ccc(F)nn6)cnn5)n34)cn2)ccn1,PHSUZFDAFFFRKY-UHFFFAOYSA-N,3,1,0.39,6,218,496.441,3.353,6,0.317,0.57,1.0,0.5305582208210541,0.6183349324926325,0.5407614282777055,0.515266260023302,0.5512302104036735
EOS-3-54838,COc1cc(-c2nnc3cncc(OCc4cccc(-c5cncs5)n4)n23)ccc1-c1ccccn1,ZMZVBYNUNUWVQU-UHFFFAOYSA-N,3,1,0.527,28,667,493.552,4.959,6,0.308,0.66,1.0,0.40309094647385374,0.38757624563086834,0.482386402576931,0.3668014529504489,0.4099637619080255
EOS-3-54839,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccco5)n34)ccn2)ncn1,UTYFMKANRDHCJI-UHFFFAOYSA-N,3,1,0.595,75,819,399.414,3.166,5,0.429,0.67,1.0,0.612826399835515,0.29543896922760604,0.26308169419505173,0.19388664245082585,0.3413084264272497
EOS-3-54840,Cc1cc(-c2nnc3cncc(OCc4nc(C(F)(F)F)cs4)n23)ccc1-c1ccnc(F)c1,ZQXGQWSJJZNLHH-UHFFFAOYSA-N,3,1,0.506,27,676,486.454,5.355,5,0.246,0.62,1.0,0.7619594270440683,0.832679391405661,0.9537214721403605,0.8923480227537524,0.8601770783359606
EOS-3-54841,Clc1ccc(-c2ncccc2-c2cncc3nnc(-c4ncccc4OCc4ccccc4)n23)cn1,UAFJKTJFDRGFRJ-UHFFFAOYSA-N,3,1,0.347,30,371,491.942,5.543,6,0.282,0.68,0.947,0.4281063669385238,0.45152833938729353,0.6560379686107874,0.695274484271126,0.5577367898019328
EOS-3-54842,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4Br)n23)ccn1,HZAXKEWANSCDAE-UHFFFAOYSA-N,3,1,0.456,75,624,497.744,3.977,5,0.339,0.66,1.0,0.5783188266739772,0.537189020629155,0.5867058460694949,0.5678072099239257,0.5675052258241382
EOS-3-54843,CCc1nc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1nc(C)cs1,FCRWRUNXVDYRKM-UHFFFAOYSA-N,3,1,0.413,13,573,483.384,6.28,5,0.293,0.71,0.952,0.469852991570146,0.6183434994174491,0.4751987526557467,0.5678157768487424,0.532802755123021
EOS-3-54844,OC(F)(F)c1ccc(-c2nnc3cncc(C(OCc4ccc(F)cc4)c4ccc(F)cc4)n23)cn1,YTXTZOUYEWFDNU-UHFFFAOYSA-N,3,1,0.402,57,358,495.436,4.812,5,0.326,0.62,0.998,0.49237543691316565,0.852845932424097,0.9971300801864162,0.9946885066136659,0.8342599890343361
EOS-3-54845,COc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,LLXNQDNYIGVJFE-UHFFFAOYSA-N,3,1,0.462,35,265,495.877,4.205,5,0.31,0.62,1.0,0.8832328147488178,0.839541498183812,0.7356075663079981,0.6952830511959427,0.7884162326091426
EOS-3-54846,FC(F)Oc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c2)c1,XNAWOXYHFHREHJ-UHFFFAOYSA-N,3,1,0.554,35,884,494.889,5.125,5,0.276,0.75,1.0,0.8869765608937016,0.9409396203138921,0.9352340483859913,0.9227177712288397,0.9214670002056062
EOS-3-54847,CCCc1cnc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cn1,DNDGIUMQJDIPFE-UHFFFAOYSA-N,3,1,0.419,31,473,397.389,2.829,4,0.474,0.73,1.0,0.6745253923651566,0.6614179973956549,0.23122986772668083,0.24608491535878282,0.4533145432115688
EOS-3-54848,OCc1nc(-c2nnc3cncc(-c4ncc(F)c(C5CC5)n4)n23)ccc1Cl,SKCQQOONHZENRV-UHFFFAOYSA-N,3,1,0.283,68,244,397.801,2.806,5,0.564,0.66,0.304,0.3149544239599753,0.43840381056815847,0.07827599204989377,0.287651634569255,0.2798214652868206
EOS-3-54849,CC1(O)CN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)cn5)n34)cn2)C1,CNMXZUGKLALXDZ-UHFFFAOYSA-N,3,1,0.305,52,95,497.946,3.776,6,0.402,0.63,0.812,0.26953258858200263,0.3637430607908985,0.16337125625385512,0.3472345966691796,0.28597037557398397
EOS-3-54850,Cc1csc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)n2)c1,FMHBXLIDULXTJY-UHFFFAOYSA-N,3,1,0.619,11,275,482.396,6.152,5,0.29,0.6,1.0,0.8757196216846,0.9436810362552258,0.7303903090946474,0.7973408265369063,0.8367829483928448
EOS-3-54851,Fc1ccc(-c2nnc3cncc(CCc4ccc(-c5ncccn5)nc4)n23)nc1,RARHUBITGUTWIZ-UHFFFAOYSA-N,3,1,0.374,85,580,398.405,2.963,5,0.449,0.65,0.951,0.36961140429031597,0.3687804125830992,0.23476800767596465,0.27898190665478717,0.31303543280104174
EOS-3-54852,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nncn5C)cc4)n23)cc1,COGDRQQRGAPUSM-UHFFFAOYSA-N,3,1,0.581,43,250,397.442,3.474,5,0.452,0.8,1.0,0.7014169693646769,0.36878897950791584,0.45810773764649443,0.392253786580769,0.480141868274964
EOS-3-54853,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ocnc5C)nc4)n23)nc1,MQJHQYJFWFBBPD-UHFFFAOYSA-N,3,1,0.5,33,348,399.414,3.432,5,0.443,0.63,1.0,0.3626036597902817,0.1493214995545199,0.24194709067233225,0.1531851826468371,0.22676435816599272
EOS-3-54854,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3cncc(-c4cccc(C(F)F)n4)c3)n12,PEURRGFLMKMNOJ-UHFFFAOYSA-N,3,1,0.429,13,724,486.816,5.91,5,0.287,0.58,0.997,0.8069786169556576,0.8991672949078199,0.9802618052223974,0.9755414296484134,0.915487286683572
EOS-3-54855,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)nc1,NGFPMVCIWWLJAB-UHFFFAOYSA-N,3,1,0.387,63,568,395.814,1.365,4,0.537,0.73,1.0,0.12129908847919951,0.13084264272496746,0.021374477417586184,0.01708244808443561,0.07264966417654718
EOS-3-54856,Fc1cccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5nnc6cnccc6n5)nc4)n23)c1,CLRHHKUTFLEDJJ-UHFFFAOYSA-N,3,1,0.309,94,515,499.473,3.85,7,0.351,0.74,0.732,0.2773027893907203,0.387584812555685,0.34794565142896305,0.44582276745939275,0.36466400520869025
EOS-3-54857,Cn1nccc1-c1ccc(-c2nnc3cncc(OC4Cc5cccnc5N4CCF)n23)c(Cl)n1,LCZWCEWBQZCBIR-UHFFFAOYSA-N,3,1,0.396,58,271,491.918,3.372,6,0.333,0.41,0.962,0.33482968953464465,0.3637516277157152,0.1695822767459393,0.21443869508601193,0.27065057227057776
EOS-3-54858,N#Cc1cnc(-c2cncc3nnc(-c4cnc(-c5cccc(F)n5)cn4)n23)s1,DSSQUVUETSMBKN-UHFFFAOYSA-N,3,1,0.296,50,845,401.39,2.778,5,0.424,0.55,1.0,0.16274587074223837,0.22363957233911316,0.2203755739839627,0.29674970872455625,0.22587768144746762
EOS-3-54859,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cnc(OC)c(F)c4)n23)cn1,ZDINQWZDOAOEMF-UHFFFAOYSA-N,3,1,0.429,90,555,395.354,1.881,4,0.544,0.83,1.0,0.6155935165512988,0.5371975875539716,0.20281337810979372,0.0834589815639778,0.35976586594476045
EOS-3-54860,Fc1ccc(Cl)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)s1,BBYQCERVOJVYRF-UHFFFAOYSA-N,3,1,0.338,32,126,484.947,6.436,6,0.269,0.74,1.0,0.31239291343979164,0.5188986361455692,0.8212168460009595,0.8681721609211157,0.630170139126859
EOS-3-54861,Cc1nc(COCCc2ccc(Cl)nn2)nc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)n1,NGQWIYOIXMAQFM-UHFFFAOYSA-N,3,1,0.273,50,602,495.334,3.203,5,0.31,0.57,0.248,0.2884397916523885,0.32974093619354394,0.04668117332602289,0.11873757795901584,0.19589986978274276
EOS-3-54862,Cc1cncc(-c2nnc3cncc(Cc4ccc(F)c(-c5cncnc5)c4)n23)n1,MORLNLOTAZXMBF-UHFFFAOYSA-N,3,1,0.303,85,674,398.405,3.077,5,0.459,0.67,0.996,0.2643410321431019,0.2334230004797478,0.49947741758618325,0.5152748269481187,0.3781290692892879
EOS-3-54863,CCOc1nc(-c2ccnn2C)ccc1-c1nnc2cncc(-c3cccnn3)n12,OKQYBEIZQLYFSP-UHFFFAOYSA-N,3,1,0.312,50,974,399.418,2.442,5,0.443,0.64,0.971,0.23191522171201426,0.11704989377013228,0.07828455897471044,0.05215543828387362,0.11985127818518265
EOS-3-54864,Fc1cccc(-c2cc(COc3cncc4nnc(-c5nccnc5-c5ccccn5)n34)ncn2)c1F,KONHLFWBFGLFQN-UHFFFAOYSA-N,3,1,0.42,28,414,495.453,3.958,6,0.338,0.56,0.988,0.5406928928791721,0.5235333424713865,0.5066650675073675,0.5285107257898705,0.5248505071619491
EOS-3-54865,Cn1c(Cc2cccc(Cl)c2F)nnc1-c1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,JHVYEFVWBGVMNQ-UHFFFAOYSA-N,3,1,0.34,10,474,497.925,4.427,6,0.347,0.7,0.801,0.18497704064149134,0.3052823658419574,0.43270680556507435,0.5807432663970941,0.37592736961140427
EOS-3-54866,Fc1ccc(C(F)(F)c2cncc3nnc(-c4ccc(-c5nc6cc(Cl)ccc6o5)nc4)n23)nc1,JTDMZSOXWORIGW-UHFFFAOYSA-N,3,1,0.343,14,358,493.836,5.322,6,0.328,0.65,0.997,0.4559060379686108,0.695351586594476,0.9530789527791104,0.9370416695223083,0.7603445617161264
EOS-3-54867,Cn1ccnc1-c1nc(-c2cncc3nnc(-c4ccc(C#N)nc4)n23)ncc1F,VVWLRFYZVZSDBB-UHFFFAOYSA-N,3,1,0.357,50,489,398.365,2.055,5,0.452,0.65,1.0,0.2695411555068193,0.29544753615242275,0.17304331437187306,0.2082448084435611,0.23656920361866904
EOS-3-54868,O=C(NC1CCOC1)c1ccc(-c2nnc3cncc(OCc4cnc(-c5ncccn5)s4)n23)cc1,CGMKHOOGFJHFMJ-UHFFFAOYSA-N,3,1,0.455,89,770,500.544,2.803,6,0.358,0.75,1.0,0.3124014803646083,0.02204269755328627,0.033556644506887806,0.032665684325954354,0.10016662668768418
EOS-3-54869,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(=NC(C)=O)[nH]c4)n23)cn1,WEYXXBAMNXCUGG-UHFFFAOYSA-N,3,1,0.34,63,5,403.406,0.307,4,0.499,0.51,0.93,0.06543417174970872,0.05273798917140703,0.016302857926118842,0.0014906449181001987,0.0339914159413337
EOS-3-54870,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Br)cc5)[nH]4)n23)cc1,WANPGXOVNHUIFV-UHFFFAOYSA-N,3,1,0.382,3,642,499.336,3.801,6,0.392,0.69,1.0,0.17916009869097388,0.27450140497566994,0.2855270372147214,0.3505242957987801,0.2724282091700363
EOS-3-54871,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)nn4)n23)cn1,UEKQTNKEIDPMCX-UHFFFAOYSA-N,3,1,0.395,66,5,394.826,1.97,4,0.55,0.84,1.0,0.14596326502638612,0.18574806387499143,0.05007367555342334,0.050801864162840105,0.10814671715441025
EOS-3-54872,CCc1cc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)ncn1,QUVMCJZPJOOGSN-UHFFFAOYSA-N,3,1,0.345,96,140,397.417,4.012,5,0.456,0.8,1.0,0.30693578233157426,0.40197724624768694,0.547632101980673,0.5710198067301762,0.4568912343225276
EOS-3-54873,Cc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(-c6nc(C)cn6C)cc5F)n34)cc2)n1,HNLDTFRZQXSWQA-UHFFFAOYSA-N,3,1,0.457,40,722,492.518,5.197,6,0.326,0.57,1.0,0.5958124871496128,0.5744208758823932,0.5997190048660133,0.495074018230416,0.5662565965321088
EOS-3-54874,c1cncc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)c1,IHROZNLDTUWYOU-UHFFFAOYSA-N,3,1,0.449,18,116,396.414,2.66,5,0.431,0.85,1.0,0.43944040847097526,0.3253375368377767,0.2203841409087794,0.21986155849496264,0.3012559111781235
EOS-3-54875,Cn1c(-c2cccc(F)n2)nnc1-c1cncc2nnc(-c3ccc(C#N)cc3)n12,KMOHMBXEEIVQON-UHFFFAOYSA-N,3,1,0.486,8,311,397.377,2.66,5,0.43,0.77,1.0,0.2913097114659722,0.3922195188815023,0.28553560413953805,0.4141594133369886,0.3458060619560003
EOS-3-54876,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3ccc(CCC(F)(F)F)nn3)n12,NNVPEYNEXXSWLM-UHFFFAOYSA-N,3,1,0.473,27,52,496.428,4.251,5,0.308,0.65,1.0,0.8757281886094168,0.8840038379823179,0.797580700431773,0.7224487697895964,0.819940374203276
EOS-3-54877,Cn1[nH]c(=NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(F)cn5)n34)nn2)nc1C(F)(F)F,AFIHBDFFAJZJFA-UHFFFAOYSA-N,3,1,0.302,50,542,485.365,1.604,5,0.38,0.37,0.985,0.09338804742649578,0.14933006647933658,0.2527414159413337,0.1802223973682407,0.1689204818038517
EOS-3-54878,COc1nc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)ccc1-c1cc(F)c(F)cn1,OHXHFYYMEFOLIC-UHFFFAOYSA-N,3,1,0.43,49,501,495.877,4.205,5,0.331,0.55,0.997,0.832730792954561,0.7005345761085601,0.7226800767596464,0.7034044959221438,0.7398374854362278
EOS-3-54879,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5cncc(F)c5)ccc4Cl)n23)n1,KJGQYUDYIFOXGR-UHFFFAOYSA-N,3,1,0.264,64,449,494.921,5.473,6,0.32,0.73,0.328,0.24556233294496607,0.36376019464053183,0.6886779521622918,0.7694469193338359,0.5168618497704064
EOS-3-54880,CCOc1cccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6cnccc6Cl)cc5)n34)cn2)n1,UGKVERIYIBNCTQ-UHFFFAOYSA-N,3,1,0.348,41,150,494.946,5.153,6,0.316,0.7,1.0,0.18793262970324173,0.40650058255088756,0.6417397710917689,0.6316050990336509,0.46694452059488734
EOS-3-54881,COc1nc(-c2cccnc2F)ccc1-c1nnc2cncc(OCCc3cc(Cl)c(F)cn3)n12,GIPJMJLYMAIYLM-UHFFFAOYSA-N,3,1,0.49,11,710,495.877,4.205,5,0.31,0.61,0.998,0.8069871838804743,0.7976149681310397,0.666883695428689,0.6316136659584676,0.7257748783496676
EOS-3-54882,Cc1cccc(COc2cncc3nnc(-c4cnccc4-c4cncs4)n23)c1,MWOBLJXOXMSYQI-UHFFFAOYSA-N,3,1,0.513,97,183,400.467,4.197,5,0.44,0.67,1.0,0.4210043862655061,0.26948975395791924,0.537420327599205,0.48596737715029814,0.4284704612432321
EOS-3-54883,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cccc(Cl)n1,NQBYFWFTXQQOSA-UHFFFAOYSA-N,3,1,0.455,87,307,494.342,4.58,5,0.303,0.61,1.0,0.6985727503255431,0.6953601535192927,0.5374288945240216,0.5452162291823727,0.6191445068878075
EOS-3-54884,Cc1cnc(-c2ccc(Cc3cncc4nnc(-c5cccc(F)c5)n34)nc2)cn1,XLVOUEHTWUMSKC-UHFFFAOYSA-N,3,1,0.459,14,81,397.417,3.682,5,0.46,0.74,1.0,0.25597971352203414,0.34943629634706325,0.5476406689054897,0.5452247961071893,0.42457036872044407
EOS-3-54885,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cccnn5)n34)ccn2)n1,SRJRVAHWJBXWPQ-UHFFFAOYSA-N,3,1,0.477,92,587,398.39,1.716,5,0.431,0.68,1.0,0.35569871838804745,0.23343156740456444,0.05186416284010691,0.042877458707422385,0.1709679768350353
EOS-3-54886,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cn[nH]c5)cc4)n23)cn1,ODSFCTYSHNAQHG-UHFFFAOYSA-N,3,1,0.329,82,204,396.414,2.603,5,0.483,0.82,1.0,0.1990353642656432,0.10139812213008019,0.3147231169899253,0.2580357754780344,0.21829809471592077
EOS-3-54887,Cc1ccc(-c2cncc(-c3nnc4cncc(Oc5cc(C)nn5C)n34)c2)nn1,UXSIBNNXJXVESB-UHFFFAOYSA-N,3,1,0.333,92,142,399.418,2.786,5,0.454,0.64,1.0,0.2182766774038791,0.10455931738743061,0.12975464327325065,0.07460078130354328,0.1317978548420259
EOS-3-54888,Cc1ccc(-c2nnc3cncc(-c4c(-c5cc(C)nn5C)ncn4C)n23)c(C)n1,YUEJXJZKUNCFGA-UHFFFAOYSA-N,3,1,0.281,50,974,399.462,2.913,5,0.463,0.6,0.995,0.09585532177369611,0.029238914399287233,0.044839284490439314,0.024998286615036665,0.04873295181961483
EOS-3-54889,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4OCc4ccc(F)c(F)c4)n23)cc1,MKVOMXHZIBHCNA-UHFFFAOYSA-N,3,1,0.426,3,27,497.469,3.901,6,0.341,0.62,0.718,0.49995716537591667,0.46480707285312867,0.5441367966554725,0.5319974641902543,0.510224624768693
EOS-3-54890,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cnc(Cl)cn1,VXQMMTXTUCZUAY-UHFFFAOYSA-N,3,1,0.416,49,501,495.33,3.975,5,0.31,0.56,0.988,0.6529196079775204,0.5945874169008293,0.32931258995271057,0.3472431635939963,0.48101569460626414
EOS-3-54891,Cc1cc(Cl)cnc1-c1nnccc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)nc3)n12,DGQQHACQNYHOGH-UHFFFAOYSA-N,3,1,0.272,70,968,494.95,4.376,6,0.355,0.52,1.0,0.30451990953327396,0.2590895072304846,0.25274998286615036,0.26996950174765266,0.27158222534439036
EOS-3-54892,Cc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnn(C)c5)c(C)c4)n23)nn1,XRJOHMJDPQPVRP-UHFFFAOYSA-N,3,1,0.388,36,706,398.43,3.391,5,0.458,0.71,1.0,0.3220649715578096,0.1944863271879926,0.3516808306490302,0.2288910972517305,0.27428080666164073
EOS-3-54893,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(Br)c(F)c4F)n23)c1,TWXWRELLVWXXGL-UHFFFAOYSA-N,3,1,0.517,59,630,497.303,4.812,5,0.326,0.72,1.0,0.7648122130080186,0.6614265643204715,0.9337691042423412,0.907288739634021,0.8168241553012131
EOS-3-54894,Cc1cnc(COc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)cn1,UZWUWKABFNLAIG-UHFFFAOYSA-N,3,1,0.452,7,131,397.402,2.321,5,0.44,0.74,1.0,0.3880131587965184,0.2540264546638339,0.1297632101980673,0.09080940305667877,0.21565305667877457
EOS-3-54895,CC(C)n1nnnc1-c1cnc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cc1F,JFVPYYUFKQPRKE-UHFFFAOYSA-N,3,1,0.274,99,356,498.461,3.218,6,0.348,0.63,0.298,0.12130765540401617,0.28495305325200465,0.1326159961620177,0.2053491878555274,0.18605647316839147
EOS-3-54896,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)c4)n23)cc1F,KKODPMNLPKDITK-UHFFFAOYSA-N,3,1,0.523,41,247,496.481,4.506,6,0.335,0.62,1.0,0.8556987183880475,0.7191590706599958,0.8451442670139127,0.8039116578712905,0.8059784284833117
EOS-3-54897,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5nnc(C)o5)cn4)n23)cc1,XEKUHCAQYRGOFP-UHFFFAOYSA-N,3,1,0.402,14,886,397.442,3.638,5,0.447,0.78,1.0,0.21273387704749502,0.22364813926392982,0.16337982317867178,0.14577479268041943,0.18638415804262898
EOS-3-54898,Cc1cccc(-c2cc(-c3nnc4cncc(-c5ccccc5Cl)n34)ncn2)c1,HIRTZTXYINOUBX-UHFFFAOYSA-N,3,1,0.342,96,616,398.857,4.877,5,0.433,0.82,0.824,0.17629017887739018,0.30529093276677405,0.7528270851895004,0.8307946679459941,0.5163007161949147
EOS-3-54899,CNc1nc(-c2nnc3cncc(OCc4cc(Cl)ncc4Cl)n23)ccc1-c1ncccc1F,STAKIRPEOLCKOK-UHFFFAOYSA-N,3,1,0.376,46,223,497.321,4.71,5,0.337,0.72,0.998,0.5511017065314234,0.5189072030703858,0.6617692413131382,0.6868103625522582,0.6046471283668015
EOS-3-54900,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(-c6ccccn6)c5)n34)nc2)n1C,JXAAKNUKVMQDEV-UHFFFAOYSA-N,3,1,0.385,41,318,494.946,5.403,6,0.316,0.73,1.0,0.6070865602083476,0.6710043862655062,0.614788225618532,0.577290795695977,0.6175424919470907
EOS-3-54901,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(-c5nncnc5-c5ccccc5)n34)cn2)cn1,VFYDBSDFSLWOKC-UHFFFAOYSA-N,3,1,0.41,30,945,497.444,4.786,6,0.342,0.69,0.927,0.32207353848262626,0.42051607155095605,0.8593739291343979,0.797349393461723,0.5998282331574257
EOS-3-54902,Fc1cc(-c2nnc3cncc(OCc4sc(-c5cnccn5)cc4Cl)n23)ccc1C(F)F,JETUPEXSJLDVNB-UHFFFAOYSA-N,3,1,0.472,27,540,488.882,5.619,5,0.309,0.56,1.0,0.860401960112398,0.892228085806319,0.9439723116989925,0.9378469604550751,0.9086123295181961
EOS-3-54903,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnccn5)nc4)n23)nc1,INNPCBCFKARDGE-UHFFFAOYSA-N,3,1,0.298,86,489,396.374,1.199,5,0.472,0.77,0.985,0.11348605304639846,0.02205126447810294,0.06157905558220821,0.04411109588102255,0.060306867246933044
EOS-3-54904,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4ccncc4)n23)c1,PFWBNHJRABIGTM-UHFFFAOYSA-N,3,1,0.63,15,393,397.442,3.208,5,0.438,0.76,1.0,0.522899390034953,0.2849616201768213,0.3817507367555342,0.3156312110204921,0.37631073949695015
EOS-3-54905,Cn1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)n1,QVDFKZUUQXGRJM-UHFFFAOYSA-N,3,1,0.565,87,838,398.43,2.603,5,0.434,0.68,1.0,0.44165067507367556,0.2236567061887465,0.2134020971831951,0.1664382153382222,0.26128692344595983
EOS-3-54906,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)cn1,XLYKNQWTBNLUPY-UHFFFAOYSA-N,3,1,0.393,66,455,396.361,1.864,4,0.548,0.68,1.0,0.17916866561579056,0.19449489411280926,0.252758549790967,0.15867658145432115,0.196274672743472
EOS-3-54907,CCn1cc(-c2cncc3nnc(-c4cc(C)nc(-c5ncc(C)nn5)c4)n23)cn1,RSSVOWYUBOICHD-UHFFFAOYSA-N,3,1,0.269,50,974,398.434,2.539,5,0.454,0.64,1.0,0.030078473031320677,0.007410389966417655,0.03623809197450483,0.025006853539853335,0.024683452128024124
EOS-3-54908,COc1ncc(C(F)F)cc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccn1,NDYMZVHAHZNITM-UHFFFAOYSA-N,3,1,0.433,7,496,496.865,4.217,5,0.327,0.64,1.0,0.5672160921115756,0.6516859708039202,0.7481067096155164,0.637482009457885,0.6511226954972243
EOS-3-54909,CCn1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)ncc2F)cn1,JLAOLIRBXSRZJG-UHFFFAOYSA-N,3,1,0.356,80,816,497.498,2.978,6,0.327,0.61,1.0,0.42811493386334043,0.4384123774929751,0.09689191967651292,0.07063429511342609,0.2585133815365636
EOS-3-54910,Cc1ncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)ncc2F)cn1,PNSMWAQEXPGLAR-UHFFFAOYSA-N,3,1,0.402,6,297,497.519,4.188,6,0.334,0.7,1.0,0.5485573298608731,0.47813720786786373,0.19249880063052566,0.17730107600575698,0.3491236035912549
EOS-3-54911,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ccc(C(F)F)nc6)ncn5)n34)cn2)n1C,KCXVFFLVGUWLHJ-UHFFFAOYSA-N,3,1,0.319,94,566,496.485,4.352,6,0.346,0.57,0.998,0.2829997943938044,0.25403502158865054,0.5708399013090261,0.4521537248989103,0.39000711054759785
EOS-3-54912,COCCc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cnn2)cc1F,RPPZXQBMDYADQX-UHFFFAOYSA-N,3,1,0.443,72,214,491.914,4.204,5,0.298,0.47,1.0,0.6210420807346995,0.5849581934068947,0.7689414707696526,0.7305188129668974,0.676365139469536
EOS-3-54913,Clc1ccc(-c2nnc3cncc(-c4ccccc4OCc4ccc(Cl)c(Cl)c4)n23)cc1,UKUCJBMWPLJZCV-UHFFFAOYSA-N,3,1,0.556,83,533,481.77,6.998,5,0.271,0.87,1.0,0.7351363854430814,0.8760965663765334,0.9843053937358646,0.9934634363648824,0.8972504454800905
EOS-3-54914,Cc1nccc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(OCc6ccsc6)c5)n34)nc2)n1,UMVABHYJHHZUIE-UHFFFAOYSA-N,3,1,0.302,32,321,495.543,5.398,6,0.306,0.77,1.0,0.5023816050990336,0.5465526694537729,0.7122541292577617,0.6316222328832842,0.5982026591734632
EOS-3-54915,c1ccc(-c2nc(-c3ccc(-c4cncc5nnc(-c6ccc(-c7cnccn7)cc6)n45)nn3)no2)cc1,HSRIZBLPWFQOOW-UHFFFAOYSA-N,3,1,0.371,30,733,496.494,4.422,7,0.337,0.62,1.0,0.130028784867384,0.14933863340415324,0.2559882804468508,0.29990233705708996,0.2088145089438695
EOS-3-54916,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4nc(-c5cnc(C(F)(F)F)nc5)no4)n23)nc1,PTHPEBZICWPZQO-UHFFFAOYSA-N,3,1,0.266,50,432,500.376,2.411,5,0.344,0.74,1.0,0.24022513878418203,0.17294907819888972,0.2669282434377356,0.1507350421492701,0.20770937564251937
EOS-3-54917,c1cnnc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)c1,PRZZSIRIOVSWCS-UHFFFAOYSA-N,3,1,0.443,18,88,397.402,2.055,5,0.424,0.74,1.0,0.39667431978616957,0.23344013432938113,0.11557638270166541,0.11178123500788158,0.21436801795627441
EOS-3-54918,Cc1ncc(-c2cc(-c3nnc4cncc(Cc5cccc(F)c5)n34)ccn2)cn1,BOOPISUVKRQLJA-UHFFFAOYSA-N,3,1,0.409,14,81,397.417,3.682,5,0.46,0.75,1.0,0.3533942156123638,0.33956719895826193,0.6177952162291823,0.604730655883764,0.478871821670893
EOS-3-54919,Cc1nc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(-c5c(C)ncn5C)nc4)n23)cc1F,OHKQCSSOIIGJBZ-UHFFFAOYSA-N,3,1,0.322,32,693,494.509,5.211,6,0.334,0.61,0.64,0.24288088547734904,0.3253461037625934,0.6027259954766637,0.5987680762113632,0.44243026523199236
EOS-3-54920,FC(F)c1ccc(-c2nnc3cncc(CCc4ccc(-c5ccccc5-c5nn[nH]n5)nn4)n23)cn1,GIHKVZLJDGGMFV-UHFFFAOYSA-N,3,1,0.327,14,886,497.473,3.546,6,0.351,0.59,0.998,0.3299808100884107,0.43406894661092454,0.3516893975738469,0.3635545884449318,0.36982343567952847
EOS-3-54921,COc1cc(CCOc2cncc3nnc(-c4cnc(C)cn4)n23)cc(Cl)n1,JUGXYLGEANTCAM-UHFFFAOYSA-N,3,1,0.46,31,457,397.826,2.568,4,0.457,0.69,1.0,0.6013381536563636,0.5096035227194846,0.2064885888561442,0.15319374957165377,0.36765600370091156
EOS-3-54922,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccn(C)n5)nc4)n23)nc1,FLMZGWMWJFOEIK-UHFFFAOYSA-N,3,1,0.47,33,760,398.43,2.869,5,0.449,0.66,1.0,0.36261222671509835,0.12757007744500035,0.24539099444863272,0.16134089507230484,0.22422854842025905
EOS-3-54923,CC1(CNC(=O)c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)cc5F)n34)cc2)COC1,YSMUISSKJUFJPT-UHFFFAOYSA-N,3,1,0.379,0,862,500.534,3.256,6,0.403,0.76,1.0,0.3696199712151326,0.32974950311836065,0.18264683709135768,0.23445959838256458,0.2791189774518539
EOS-3-54924,Cc1cnc(-c2cnc(Oc3cncc4nnc(-c5cnc(C)nc5)n34)cn2)cn1,FBJHMJXJRPFXIA-UHFFFAOYSA-N,3,1,0.363,7,48,398.39,2.237,5,0.444,0.66,1.0,0.43034233431567404,0.22366527311356316,0.07829312589952711,0.04035878281132205,0.19316487903502155
EOS-3-54925,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cn2)ccn1,YUONXTSLDUZAAA-UHFFFAOYSA-N,3,1,0.378,74,246,396.414,2.446,5,0.499,0.74,1.0,0.00609965046946748,0.009637790418751286,0.3332705092180111,0.22546432732506339,0.1436180693578233
EOS-3-54926,Fc1ccccc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnn5)n4)n23)ncn1,JFEFCQGXFMPDRG-UHFFFAOYSA-N,3,1,0.402,28,218,495.453,3.958,6,0.338,0.52,0.587,0.5282451511205538,0.5008995271057501,0.5441453635802892,0.5772993626207936,0.5376473511068467
EOS-3-54927,Cc1ccc(-c2nnc3cncc(-c4cccnc4OCc4cc(Cl)cc(Cl)c4F)n23)cc1,JDQDQTMUYQDWCK-UHFFFAOYSA-N,3,1,0.394,96,3,480.33,6.187,5,0.281,0.55,1.0,0.6866304571311083,0.8175502021794256,0.9562744157357275,0.9567969981495442,0.8543130182989513
EOS-3-54928,COc1ncc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)cn1,IOZJDINXNJMRAB-UHFFFAOYSA-N,3,1,0.318,85,435,397.402,2.033,5,0.439,0.72,1.0,0.23753512439174834,0.10808889041189775,0.1538191350832705,0.10290590089781372,0.15058726269618258
EOS-3-54929,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncc4F)n23)c1,NAQFXSYMOAAMAS-UHFFFAOYSA-N,3,1,0.434,6,247,497.469,3.901,6,0.341,0.6,0.926,0.5381913508327051,0.4340775135357412,0.714695702830512,0.6661726406689055,0.5882843019669659
EOS-3-54930,Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc(-c2ccc(C(F)F)c(F)c2)n1,LIUOVNRRCJIMDF-UHFFFAOYSA-N,3,1,0.521,35,161,494.452,5.394,5,0.282,0.75,1.0,0.9499520252210266,0.9062778425056541,0.9639675142210952,0.9412737303817422,0.9403677780823796
EOS-3-54931,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)n(C)n1,IDFHMKJJSLCKQO-UHFFFAOYSA-N,3,1,0.453,7,420,399.418,2.264,5,0.443,0.6,1.0,0.2643495990679186,0.14534644643958605,0.07830169282434378,0.04549893770132273,0.1333741690082928
EOS-3-54932,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cncc(C#N)c4)n23)c(F)c1,IURWHNRMCCDOEJ-UHFFFAOYSA-N,3,1,0.341,50,765,397.377,2.66,5,0.46,0.72,1.0,0.2511137002261668,0.3687975464327325,0.5997275717908299,0.6316307998081009,0.4628174045644575
EOS-3-54933,COc1cc(-c2nnnn2C)ccc1-c1cncc2nnc(-c3ccc(-c4nccn4C)cc3Cl)n12,RDBCTMWFBSOSCD-UHFFFAOYSA-N,3,1,0.333,25,866,498.938,3.711,6,0.353,0.68,1.0,0.26954972243163594,0.2954561030772394,0.32572304845452676,0.3246778836268933,0.30385168939757384
EOS-3-54934,CCCn1c(-c2cnc(Cl)cn2)nnc1-c1cncc2nnc(-c3ccc(-c4cccnn4)cn3)n12,TXDKQLIJOVQYEB-UHFFFAOYSA-N,3,1,0.27,99,754,496.926,3.422,6,0.337,0.62,0.84,0.09586388869851278,0.15317661572202043,0.018761565348502502,0.0547940511274073,0.08064903022411075
EOS-3-54935,Clc1ccccc1-c1ccnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,VCZVGVMHCMQNJN-UHFFFAOYSA-N,3,1,0.576,12,427,490.954,6.148,6,0.279,0.78,1.0,0.723202659173463,0.8214481529710095,0.8578661503666644,0.8714875608251662,0.8185011308340757
EOS-3-54936,Cn1ccnc1-c1nccnc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)cn3)n12,YWALHPIPHCHOGI-UHFFFAOYSA-N,3,1,0.353,80,34,497.91,3.066,6,0.337,0.62,0.752,0.40747721197998765,0.39688849290658623,0.09959906791857995,0.12103351380988281,0.25624957165375917
EOS-3-54937,Cn1cnnc1-c1cc(-c2cccc(-c3nnc4cncc(OCc5cnc(F)cc5F)n34)c2)ccn1,FSYRTFQNGDCKEF-UHFFFAOYSA-N,3,1,0.443,40,247,497.469,3.901,6,0.319,0.63,1.0,0.6097508738263313,0.48218079638133093,0.6384586388869852,0.6202453567267494,0.5876589164553492
EOS-3-54938,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)nc(-c5cncs5)n4)n23)cn1,LOKJZHVLVRBCKF-UHFFFAOYSA-N,3,1,0.511,27,69,499.438,2.797,5,0.372,0.67,1.0,0.6128349667603317,0.5465612363785896,0.46147453909944486,0.267253786580769,0.47203113220478377
EOS-3-54939,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ccccc5Cl)n34)cc2)n1,UGSRDFIEJAQFSY-UHFFFAOYSA-N,3,1,0.389,3,558,398.857,4.877,5,0.433,0.77,1.0,0.28300836131862106,0.4473305462271263,0.7593208142005345,0.8060191213761908,0.5739197107806182
EOS-3-54940,FCCOc1ccc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)c(F)cc4F)n23)cn1,OWHJJOCJQRBLGV-UHFFFAOYSA-N,3,1,0.446,73,665,497.412,3.988,5,0.297,0.68,1.0,0.8976509492152697,0.7811150709341375,0.79997943938044,0.7333201973819478,0.8030164142279487
EOS-3-54941,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cnc(Br)c4F)n23)cc1,SOTNBKQLHIQWFA-UHFFFAOYSA-N,3,1,0.524,16,353,498.291,4.207,5,0.338,0.67,1.0,0.8869851278185182,0.7555513672812008,0.7641782605715852,0.7119285861147283,0.7796608354465081
EOS-3-54942,CC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)cc1,MGJLGMCJKXMRFD-UHFFFAOYSA-N,3,1,0.482,48,646,397.265,4.892,4,0.46,0.9,1.0,0.4674371187718457,0.5096120896443013,0.910535604139538,0.9152217120142554,0.7007016311424851
EOS-3-54943,CC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncnn5C)ncn4)n23)cc1,QIGABJKBGVKSGG-UHFFFAOYSA-N,3,1,0.338,74,333,397.402,2.246,5,0.424,0.77,1.0,0.08168562812692756,0.015154890000685354,0.1019806730176136,0.06369508601192515,0.06562906928928791
EOS-3-54944,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnc6ccccc6n5)cn4)n23)cc1,NDLDTVCFUMAJCL-UHFFFAOYSA-N,3,1,0.302,64,365,497.497,5.06,7,0.332,0.73,0.889,0.2695582893564526,0.3637687615653485,0.49948598451099996,0.5958981563977794,0.4321777979576451
EOS-3-54945,COCCNC(=O)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccc5F)c4)n23)cc1,QKEDTPFPWXTOON-UHFFFAOYSA-N,3,1,0.45,89,656,499.506,3.343,5,0.307,0.76,1.0,0.46028373654992805,0.11705846069494893,0.4581163045713111,0.3279418819820437,0.34085009594955795
EOS-3-54946,CCn1cncc1-c1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc1F,QYFBXPCMANELDJ-UHFFFAOYSA-N,3,1,0.351,52,306,500.513,3.831,6,0.364,0.75,1.0,0.24557089986978275,0.23344870125419778,0.24902337057089988,0.31867246933040916,0.26167886025632237
EOS-3-54947,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5c(Cl)ncc(C)c5Cl)n34)nn2C)n1,XFHJZXITKDPECR-UHFFFAOYSA-N,3,1,0.414,31,569,496.362,3.922,5,0.326,0.64,1.0,0.3810996504694675,0.3345726817901446,0.17305188129668975,0.2316410801178809,0.2800913234185457
EOS-3-54948,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5cc[nH]n5)c4)n23)cc1,HGHICAKOCJRNOB-UHFFFAOYSA-N,3,1,0.326,74,139,396.414,2.603,5,0.483,0.8,1.0,0.22656089370159688,0.07184223151257625,0.33327907614282776,0.23446816530738127,0.21653759166609554
EOS-3-54949,N#Cc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1Cl,ZRVFGXYNEZZIQP-UHFFFAOYSA-N,3,1,0.592,90,555,397.225,3.944,4,0.518,0.72,1.0,0.9159670344733054,0.9366647248303749,0.9337776711671578,0.9516397094099103,0.934512284970187
EOS-3-54950,Cc1ncc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(-c6ncccn6)c5)n34)nc2)n1C,SRRAOKMMAPQIFM-UHFFFAOYSA-N,3,1,0.374,42,318,495.934,4.798,6,0.335,0.64,1.0,0.609759440751148,0.6756562264409568,0.4614831060242615,0.41416798026180524,0.5402666883695428
EOS-3-54951,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)N5CCC(F)(F)C5)nc4)n23)cc1,VJIIGNMBTCDSFF-UHFFFAOYSA-N,3,1,0.398,0,345,503.513,3.151,6,0.434,0.84,0.999,0.19334692618737578,0.11126721951888151,0.037497429922554996,0.1319734768007676,0.11852126310739497
EOS-3-54952,Cc1ccc(-c2ncc(-c3nnc4cncc(-c5c(C)c(C)nn5C)n34)cn2)nn1,VKDMDTAYXUKFCM-UHFFFAOYSA-N,3,1,0.28,50,974,398.434,2.364,5,0.455,0.64,0.998,0.0327599204989377,0.013775615105201837,0.014897882256185319,0.008258515523267769,0.017422983345898157
EOS-3-54953,CCC#Cc1ccccc1-c1ccnc(-c2nnc3cncc(OCc4ccnc(COC)c4F)n23)c1,KFRUNYIVGZFZQW-UHFFFAOYSA-N,3,1,0.355,89,348,494.53,4.874,5,0.298,0.65,0.999,0.46262250702487834,0.44733911315194297,0.7456480021931328,0.6284353368514838,0.5710112398053594
EOS-3-54954,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)n23)ccn1,RKNZPLZJOJFVLO-UHFFFAOYSA-N,3,1,0.615,12,897,495.93,5.178,6,0.279,0.79,1.0,0.9408111164416421,0.8991758618326365,0.577367898019327,0.5837416900829279,0.7502741415941334
EOS-3-54955,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5c(Cl)ccc(F)c5Cl)no4)n23)c(F)c1,JXCVSSYKBZNXMY-UHFFFAOYSA-N,3,1,0.53,34,146,492.244,5.749,5,0.291,0.72,1.0,0.9381211020492084,0.930445137413474,0.9758755397162634,0.9861215817969982,0.957640840243986
EOS-3-54956,CCn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)cc3)n12,OYHFZWVEVNSDFZ-UHFFFAOYSA-N,3,1,0.313,8,474,496.966,4.494,6,0.324,0.65,1.0,0.18223562470015764,0.18998012473442533,0.14765951614008635,0.20535775478034404,0.18130825508875334
EOS-3-54957,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5c(F)cc(F)c(F)c5Cl)n34)c2)nc1,JRNBPZXBHXHNDC-UHFFFAOYSA-N,3,1,0.5,59,13,485.828,5.642,5,0.183,0.75,1.0,0.9338119388664246,0.938052566650675,0.9878863683092317,0.9899595641148653,0.9624276094852992
EOS-3-54958,COc1cc(-c2nnc3cncc(Oc4cccc(-c5nc(C)nn5C)n4)n23)ccc1-c1cscn1,FSPLKZIFWJRMDD-UHFFFAOYSA-N,3,1,0.385,81,622,497.544,4.215,6,0.333,0.69,1.0,0.30179562744157357,0.25909807415530123,0.12676478651223358,0.07460934822835995,0.19056695908436708
EOS-3-54959,CCc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cn4)n23)cc1,PPLULFRZLMKNTL-UHFFFAOYSA-N,3,1,0.566,89,850,398.426,3.983,5,0.427,0.78,1.0,0.48493077924748135,0.44267013912685904,0.5204835172366528,0.4014375299842369,0.46238049139880755
EOS-3-54960,Cc1cnc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)cn1,HKNCLXQGNXDMPC-UHFFFAOYSA-N,3,1,0.367,7,535,398.39,1.716,5,0.431,0.67,1.0,0.35340278253718044,0.24905763827016655,0.0877167431978617,0.06079946542389144,0.18774415735727504
EOS-3-54961,COc1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(-c6cnccn6)c(F)c5)n34)cc2)s1,DEUPPTWGQQMOJE-UHFFFAOYSA-N,3,1,0.371,40,50,496.531,4.505,6,0.332,0.64,1.0,0.57540607223631,0.5054485641834007,0.4509200877253101,0.4141765471866219,0.4864878178329107
EOS-3-54962,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(-c4ccoc4)nc3)n12,BCLBPYUCKLBMQI-UHFFFAOYSA-N,3,1,0.347,82,514,396.41,3.521,5,0.497,0.81,0.999,0.15458159139195393,0.07881570831334384,0.4892656432047152,0.39226235350558564,0.27873132410389967
EOS-3-54963,Fc1ccc(-c2cccc(-c3nnc4cncc(-c5cnn(C6CC6)c5)n34)n2)nc1,LRYOGXASHWKJKZ-UHFFFAOYSA-N,3,1,0.293,50,272,398.405,3.586,6,0.46,0.71,0.998,0.08376739085737783,0.1531851826468371,0.15085497909670345,0.31563977794530873,0.17586183263655678
EOS-3-54964,c1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnn5)cn4)n23)cnn1,NXGFUYAMVXBCDB-UHFFFAOYSA-N,3,1,0.424,53,466,398.39,1.45,5,0.414,0.66,1.0,0.5587519703927079,0.4019858131725036,0.11854053868823247,0.11178980193269823,0.2977670310465355
EOS-3-54965,COc1nc(-c2nncn2C)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3Cl)n12,QJLAMXWPGAHLKN-UHFFFAOYSA-N,3,1,0.462,31,180,498.334,3.314,5,0.333,0.64,0.988,0.5536974847508739,0.4603522719484614,0.22749468850661367,0.2699780686724693,0.3778806284696045
EOS-3-54966,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncccn5)n4)n23)cc1F,SEXINKDNDBXEAG-UHFFFAOYSA-N,3,1,0.5,40,247,497.469,3.901,6,0.341,0.59,1.0,0.6382187649921184,0.6466571859365362,0.4788482626276472,0.4489154273182099,0.5531599102186279
EOS-3-54967,Fc1cc(-c2nnc3cncc(CCc4ccc(-c5ncccn5)cc4)n23)ccn1,LDETXJXGAOXMDQ-UHFFFAOYSA-N,3,1,0.411,14,886,397.417,3.568,5,0.422,0.82,1.0,0.43236412857240764,0.4473476800767596,0.5239017202385032,0.5250239873894866,0.4821593790692893
EOS-3-54968,CCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1nc(C)c(Cl)n1C,DFMHRXYVSFRXLN-UHFFFAOYSA-N,3,1,0.427,31,690,495.374,4.738,5,0.336,0.62,0.767,0.4074857789048043,0.5054571311082174,0.19586560208347611,0.26416969364676857,0.3432445514358166
EOS-3-54969,CCn1c(-c2ccc(Cl)nc2)nnc1-c1cncc2nnc(-c3ccc(-c4cnc(C)n4C)cc3)n12,FCWDVIAMNFXNQE-UHFFFAOYSA-N,3,1,0.317,8,474,496.966,4.494,6,0.324,0.64,0.999,0.16558152285655542,0.2641611267219519,0.1447210609279693,0.20536632170516073,0.19495750805290935
EOS-3-54970,FC1CCN(c2nc(C(F)(F)F)ccc2-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)C1,JOTLAFCBYIBIFM-UHFFFAOYSA-N,3,1,0.322,66,455,498.366,4.229,5,0.391,0.6,1.0,0.317413131382359,0.32535467068741003,0.8837382633130012,0.8389075457473785,0.5913534027825371
EOS-3-54971,Brc1ccc(-n2cnc(-c3cncc4nnc(-c5cccnc5-c5ncccn5)n34)n2)cc1,RIUZARLJTAEUNK-UHFFFAOYSA-N,3,1,0.32,10,871,497.32,3.654,6,0.363,0.52,0.906,0.023362003975053114,0.16073264341032142,0.15382770200808718,0.22547289424988007,0.14084881091083545
EOS-3-54972,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ncc(F)cn1,NIBPYSYCNQSCEB-UHFFFAOYSA-N,3,1,0.511,35,467,495.877,4.205,5,0.31,0.57,1.0,0.9521708587485436,0.9103642656432047,0.7550459187170173,0.6952916181207593,0.8282181653073812
EOS-3-54973,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ncc(Br)cn5)n34)ccc2Cl)o1,FABLOFPLFSPOET-UHFFFAOYSA-N,3,1,0.482,73,196,499.716,3.935,5,0.354,0.75,1.0,0.6956771297375094,0.8136265506133918,0.24903193749571653,0.2967582756493729,0.5137734733739977
EOS-3-54974,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ncccn5)cnn4)n23)nn1,IGEGYWQFYYFZNC-UHFFFAOYSA-N,3,1,0.396,53,587,398.39,1.716,5,0.431,0.65,1.0,0.3394986635597286,0.2389315331368652,0.044847851415255977,0.0347560139812213,0.16450851552326776
EOS-3-54975,Cc1cnnc(-c2cnnc(COc3cncc4nnc(-c5ccncc5)n34)c2)n1,NFZKTWMHFQELPG-UHFFFAOYSA-N,3,1,0.475,92,587,398.39,1.716,5,0.431,0.65,1.0,0.2967754094990062,0.21828524432869578,0.06744739908162566,0.05776677403879103,0.1600687067370297
EOS-3-54976,Cc1cc(-c2nnc3cncc(-c4cnc(-c5cccnc5F)cn4)n23)cc(C)n1,LDZLGLLQRAIXSS-UHFFFAOYSA-N,3,1,0.333,50,845,398.405,3.461,5,0.43,0.69,1.0,0.24023370570899868,0.3104910561304914,0.42166403947638953,0.3796261394010006,0.33800373517922006
EOS-3-54977,Cn1nccc1-c1cccc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,FNAZPYSTEISEEL-UHFFFAOYSA-N,3,1,0.605,15,438,397.442,3.208,5,0.438,0.76,1.0,0.48983962716743196,0.23345726817901447,0.4141422794873552,0.35053286272359674,0.37199300938934965
EOS-3-54978,CCn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6cscn6)n5)n34)ncn2)c(C)n1,SAOUGIDXUSXXPI-UHFFFAOYSA-N,3,1,0.388,6,984,496.56,3.871,6,0.324,0.59,0.992,0.11893461722979919,0.10140668905489686,0.07397539579192652,0.04957679391405661,0.0859733739976698
EOS-3-54979,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)nc4)n23)cn1,HDIYLFPLLZFJAI-UHFFFAOYSA-N,3,1,0.386,82,514,395.386,1.804,5,0.486,0.81,1.0,0.157365841957371,0.0455075046261394,0.10995648002193133,0.09081796998149544,0.10091194914673429
EOS-3-54980,COc1cc(-c2nnc3cncc(OCCc4c(Cl)ncc(F)c4F)n23)ccc1-c1ccccn1,UKJYPOVLKMZRGD-UHFFFAOYSA-N,3,1,0.51,11,777,494.889,4.81,5,0.3,0.59,1.0,0.9616201768213282,0.9123860598999384,0.8435850866972792,0.8080323487081077,0.8814059180316633
EOS-3-54981,Cc1cc(Oc2cncc3nnc(-c4cncc(-c5ccc(-c6ncc(F)cn6)cc5)c4)n23)ccc1F,KWWHOHKEQQZDLS-UHFFFAOYSA-N,3,1,0.495,41,192,493.477,5.689,6,0.305,0.68,1.0,0.7588324994859845,0.7639383866767185,0.8787180453704339,0.8550047974778974,0.8141234322527586
EOS-3-54982,CCn1ncnc1-c1ccc(-c2nnc3cncc(-c4cccc(-c5nnc(C)s5)n4)n23)c(OC)n1,VJAWVJHAKNMHPE-UHFFFAOYSA-N,3,1,0.278,76,14,497.548,3.362,6,0.337,0.6,0.617,0.11894318415461586,0.10809745733671441,0.009046672606401206,0.004471934754300596,0.06013981221300802
EOS-3-54983,Cc1cnc(COc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)cn1,VGBBLDXTMXPLCR-UHFFFAOYSA-N,3,1,0.42,7,535,396.414,2.926,5,0.447,0.82,1.0,0.3372798300322116,0.1990867658145432,0.259749160441368,0.2170516071550956,0.2532918408608046
EOS-3-54984,Cc1nnc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5F)n34)c2)n1C,LGFJUWIQLSNESZ-UHFFFAOYSA-N,3,1,0.412,36,571,500.498,2.296,6,0.357,0.75,1.0,0.3348382564594613,0.3052994996915907,0.037505996847371666,0.04958536083887328,0.18180727845932423
EOS-3-54985,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cccnn5)n34)ccn2)nn1,CFZYZOPEXZZQBD-UHFFFAOYSA-N,3,1,0.482,53,587,397.402,2.321,5,0.44,0.73,1.0,0.34194023713247895,0.2540435885134672,0.1355630182989514,0.10706942635871428,0.20965406757590296
EOS-3-54986,Cc1cnc(-c2nnc3cncc(OCc4ccc(-c5cnccn5)nn4)n23)cn1,GESADOWBPUFGAW-UHFFFAOYSA-N,3,1,0.398,7,828,398.39,1.716,5,0.431,0.66,1.0,0.32998937701322734,0.22875402645466383,0.05577068055650743,0.04176375848125557,0.16406946062641356
EOS-3-54987,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)ccn1,UHZRBJZSBSSRNL-UHFFFAOYSA-N,3,1,0.5,7,535,397.402,2.321,5,0.44,0.71,1.0,0.38570865602083476,0.24415735727503254,0.16959084367075594,0.12104208073469948,0.23012473442533068
EOS-3-54988,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(-c5ncnc(-c6ccccn6)n5)n34)nc2)cn1,UFQCZIOUEXTOGM-UHFFFAOYSA-N,3,1,0.361,94,136,498.432,4.181,6,0.352,0.63,0.943,0.277311356315537,0.39689705983140294,0.7331402919607978,0.6202539236515661,0.5069006579398259
EOS-3-54989,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cccc(Cl)c1F,FYXWKAKJTFAKAZ-UHFFFAOYSA-N,3,1,0.404,19,132,496.333,5.019,5,0.326,0.67,0.999,0.7619679939688849,0.8061047906243575,0.6940922486464258,0.7717599890343362,0.7584812555685011
EOS-3-54990,Cn1ccnc1-c1cc(F)c(-c2nnc3cncc(OCc4cccnc4-c4ccccc4F)n23)cn1,UZXMTLNUNBHYAW-UHFFFAOYSA-N,3,1,0.438,28,247,496.481,4.506,6,0.335,0.59,1.0,0.7232112260982798,0.5849667603317114,0.6322133506956343,0.6284439037763004,0.6422088102254815
EOS-3-54991,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccnc(Cl)n1,CTTYXDHVYABAOA-UHFFFAOYSA-N,3,1,0.43,18,773,493.358,4.529,5,0.241,0.66,0.984,0.6745339592899733,0.7055376602014941,0.3590055513672812,0.40144609690905353,0.5351308169419505
EOS-3-54992,Cc1cnc(-c2ccnc(-c3nnc4cncc(CCc5nnc(C)o5)n34)c2)cn1,WAMQESMMNLFUDI-UHFFFAOYSA-N,3,1,0.322,85,580,399.418,2.428,5,0.438,0.58,1.0,0.10576725378658076,0.041815160030155576,0.017065314234802276,0.0152491261736687,0.04497421355630183
EOS-3-54993,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccc(F)cc6F)nc5)n34)nc2)n1,TUWXDYGDWPTCTN-UHFFFAOYSA-N,3,1,0.375,41,318,496.481,5.028,6,0.33,0.72,1.0,0.6128435336851484,0.6183520663422658,0.696927900760743,0.6462374066205195,0.6435902268521692
EOS-3-54994,COc1nc(-c2nc(C(F)(F)F)nn2C)ccc1-c1nnc2cncc(OCc3cnc(C)nc3)n12,KEEMPXZPJAJUFJ-UHFFFAOYSA-N,3,1,0.421,92,900,498.429,2.687,5,0.344,0.62,0.859,0.5074960592145843,0.42501370707970665,0.2453995613734494,0.08700568843807827,0.3162287540264547
EOS-3-54995,Cn1ccc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(-c6nccn6C)nc5)n34)c2)n1,ZUOXSSOQMFGBLT-UHFFFAOYSA-N,3,1,0.427,6,247,497.95,4.22,6,0.339,0.65,1.0,0.509826262764718,0.5991278870536633,0.5066736344321843,0.46152594064834485,0.5192884312247276
EOS-3-54996,Cc1cc(C(F)(F)F)cnc1-c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)nnc1F,AXBXMMFVNKFXNV-UHFFFAOYSA-N,3,1,0.423,18,773,496.428,4.126,5,0.324,0.6,0.672,0.7762576245630869,0.6614351312452882,0.8873021040367349,0.8016499897196903,0.7816612123912001
EOS-3-54997,Fc1cc(-c2nccnc2-c2nnc3cncc(Cc4cc(-c5cncnn5)ncn4)n23)ccc1Cl,UKXFQXAKUBYVTA-UHFFFAOYSA-N,3,1,0.27,39,972,497.885,3.274,6,0.349,0.56,1.0,0.39239942430265234,0.3395757658830786,0.33663731067096153,0.45216229182372697,0.38019369817010484
EOS-3-54998,CC(c1ccc(F)cc1)c1cncc2nnc(-c3ccc(C(=O)O)cc3Cl)n12,SORBBOZSQQQOID-UHFFFAOYSA-N,3,1,0.419,23,646,396.809,4.434,4,0.551,0.77,1.0,0.37876944691933384,0.284970187101638,0.945223082722226,0.9184685765197724,0.6318578233157426
EOS-3-54999,Cc1nccc(CCOc2cncc3nnc(-c4cnc(CO)nc4)n23)c1Cl,MHYONSZGYNRSKV-UHFFFAOYSA-N,3,1,0.523,65,811,397.826,2.052,4,0.526,0.6,1.0,0.4999657323007333,0.5372061544787883,0.22039270783359605,0.222662942910013,0.3700568843807827
EOS-3-55000,Cc1cnc(-c2cc(-c3nnc4cncc(Cc5cccc(O)c5)n34)nn2C)cn1,NEUNXDVPAGFGCE-UHFFFAOYSA-N,3,1,0.287,85,60,398.43,2.587,5,0.496,0.61,0.996,0.10577582071139743,0.013784182030018504,0.1508635460215201,0.1361798368857515,0.1016508464121719
EOS-3-55001,Cc1nc(Cl)cc(OCc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)n1,HGZQMELDWJBZKN-UHFFFAOYSA-N,3,1,0.432,66,12,395.81,2.221,4,0.514,0.75,1.0,0.4602923034747447,0.3395843328078953,0.22040127475841273,0.1457833596052361,0.2915153176615722
EOS-3-55002,COc1ccc(CCCOCc2ncnc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)n2)nc1,DEWDVJBVNUFOJD-UHFFFAOYSA-N,3,1,0.339,29,849,497.519,2.295,5,0.284,0.66,0.961,0.184985607566308,0.012404907134534987,0.05386882324720718,0.025906380645603456,0.06929142964841341
EOS-3-55003,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)nc(Br)c4F)n23)cn1,ZOMFTGXYUZDTGY-UHFFFAOYSA-N,3,1,0.44,55,283,499.279,3.602,5,0.341,0.67,1.0,0.7619765608937016,0.7147128366801453,0.5867144129943116,0.5250325543143033,0.6471090912206154
EOS-3-55004,Fc1cc(-c2ccnc(F)c2)cc(-c2nnc3cncc(OCc4sc(Cl)nc4Cl)n23)c1,JVDWJNGIXCCCLV-UHFFFAOYSA-N,3,1,0.506,59,439,491.31,5.474,5,0.304,0.64,1.0,0.7847988486053047,0.8253632376122267,0.8694314988691659,0.9140309094647385,0.8484061236378589
EOS-3-55005,Cn1ncc(-c2ccccc2)c1-c1cncc2nnc(-c3ccc(C(=O)O)cc3)n12,ONZBWWPQAMSJFP-UHFFFAOYSA-N,3,1,0.383,62,366,396.41,3.557,5,0.499,0.76,1.0,0.05480261805222397,0.00617675279281749,0.4179545610307724,0.35682955246384757,0.20894087108491535
EOS-3-55006,O=C(NC1CC1)c1ccc(-c2nnc3cncc(COc4ccc(-c5ncc(Cl)nn5)nn4)n23)cc1,OEGNUVINIWHDHW-UHFFFAOYSA-N,3,1,0.396,52,916,500.91,2.558,6,0.353,0.71,1.0,0.44646528682064285,0.3590483859913645,0.040384483585772055,0.06533993557672538,0.2278095229936262
EOS-3-55007,Cn1ncc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c1-c1cncnc1,SLJDOLOOXOWXIO-UHFFFAOYSA-N,3,1,0.293,50,432,398.39,1.143,5,0.475,0.58,0.996,0.042551915564389,0.03522719484613803,0.07398396271674319,0.05338050853265712,0.05128589541498184
EOS-3-55008,CC(NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4)n23)cc1)c1ccccc1,ARFJFMUFDISOPK-UHFFFAOYSA-N,3,1,0.448,93,791,501.554,4.14,6,0.365,0.88,1.0,0.2455794667945994,0.0788242752381605,0.4614916729490782,0.3732951819614831,0.2897976492358303
EOS-3-55009,CCn1nc(C(F)F)nc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)nn1,ADBMSBOQZPXZCA-UHFFFAOYSA-N,3,1,0.286,98,608,497.473,3.921,6,0.336,0.61,0.999,0.20452676307312728,0.18575663079980811,0.11260365979028168,0.12758721129463368,0.1576185662394627
EOS-3-55010,Cc1cc(-c2nnc3cncc(Cc4cc(F)c(-c5cncnc5)cn4)n23)ccn1,BGSCWXGPRHPTRM-UHFFFAOYSA-N,3,1,0.374,85,290,398.405,3.077,5,0.459,0.62,1.0,0.33484682338427796,0.30530806661640736,0.5374374614488383,0.505131587965184,0.4206809848536769
EOS-3-55011,O=C(NC1(c2ccccc2)CC1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,DQMOVEWQUDYCLG-UHFFFAOYSA-N,3,1,0.312,17,68,497.562,5.063,7,0.347,0.73,0.996,0.05673017613597423,0.06040538688232472,0.5204920841614694,0.5678243437735591,0.30136299773833186
EOS-3-55012,COCCN=c1nc(-c2cnccn2)cc(-c2nnc3cncc(OCc4ccnc(C)n4)n23)[nH]1,CYEPBNGQLWQLAC-UHFFFAOYSA-N,3,1,0.339,7,324,471.485,1.196,5,0.326,0.34,0.302,0.1459718319512028,0.002912754437667055,0.024355767253786582,0.008592625591117812,0.045458244808443564
EOS-3-55013,Fc1cccc(OCc2cncc3nnc(-c4cccc(-c5ccncc5)c4)n23)c1,RXTBSFDHRHWTKL-UHFFFAOYSA-N,3,1,0.46,1,18,397.413,4.571,5,0.435,0.85,1.0,0.47769172777739705,0.5899098759509287,0.872164347885683,0.8756596532108835,0.7038564012062231
EOS-3-55014,COc1ncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cc(F)cnc1F,YPXZITNHQNKFOZ-UHFFFAOYSA-N,3,1,0.479,35,657,495.877,4.205,5,0.31,0.59,1.0,0.9159756013981222,0.8558357891851142,0.7804811184977041,0.722457336714413,0.8186874614488384
EOS-3-55015,COc1nc(-c2ccc(Cl)nn2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,LQZOKWWQOFUJAX-UHFFFAOYSA-N,3,1,0.444,58,24,496.865,3.6,5,0.333,0.55,0.938,0.8043657048865739,0.789639161126722,0.4546809677198273,0.4521708587485436,0.6252141731204166
EOS-3-55016,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cc5F)ncn4)n23)nc1,CZKMAIKBYZEOHL-UHFFFAOYSA-N,3,1,0.361,33,53,501.457,2.788,6,0.357,0.79,0.999,0.4233088890411898,0.23346583510383112,0.18265540401617436,0.2288996641765472,0.26708244808443565
EOS-3-55017,OC(c1ccc(-c2nnc3cncc(-c4cnc(=NCc5ccc(F)cc5)[nH]n4)n23)cn1)C(F)F,DBCQLZREJQWCMA-UHFFFAOYSA-N,3,1,0.361,96,315,479.426,2.51,5,0.383,0.28,0.024,0.26435816599273526,0.29028168048797204,0.795233363032006,0.7385374545952985,0.522102666027003
EOS-3-55018,Cc1cc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)nc5-c5ccccn5)n34)nc2)n(C)n1,MXZWWUSZTNJCGG-UHFFFAOYSA-N,3,1,0.371,28,318,495.934,4.798,6,0.314,0.69,1.0,0.4118377767116716,0.5512130765540402,0.3630234391062984,0.3408265369063121,0.4167252073195806
EOS-3-55019,CCn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccnc(-c5noc(C)n5)c4)n23)c1,IMTCSIPZEWRUPQ-UHFFFAOYSA-N,3,1,0.422,26,448,497.494,4.146,6,0.32,0.68,1.0,0.3787780138441505,0.3829244054554177,0.3332876430676444,0.269986635597286,0.34124417449112465
EOS-3-55020,CNC(=O)c1ccc(-c2nnc3cncc(Oc4cnc(OC)c(F)c4)n23)cc1,HLQWGJSBYOLQAT-UHFFFAOYSA-N,3,1,0.494,90,636,394.366,2.486,4,0.555,0.86,1.0,0.7960643547392228,0.5512216434788568,0.4364419847851415,0.21987012541977932,0.5008995271057501
EOS-3-55021,Cn1c(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nnc1CCC1CCCC1,MDAANEJHJQUXBV-UHFFFAOYSA-N,3,1,0.516,63,701,500.607,3.556,6,0.354,0.8,1.0,0.38110821739428413,0.12042526214789939,0.0003426769926667124,0.0022959358508669726,0.12604302309642929
EOS-3-55022,c1ccc(-n2ncnc2-c2ccc(-c3cncc4nnc(-c5cccnc5-c5cccnc5)n34)nn2)nc1,IJFSQBHPZPQGKU-UHFFFAOYSA-N,3,1,0.269,32,935,496.498,3.348,7,0.349,0.48,0.681,0.01568603933931876,0.024372901103419917,0.10198923994243027,0.14093448015900212,0.07074566513604277
EOS-3-55023,COC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)cc1,IZANXMBCEHLXAP-UHFFFAOYSA-N,3,1,0.34,62,246,396.41,3.431,5,0.433,0.85,1.0,0.04101843602220547,0.06444897539579193,0.46498697827427865,0.3568381193886642,0.23182312727023507
EOS-3-55024,Cc1cc(C#N)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,PZRYTDVQLIRNMB-UHFFFAOYSA-N,3,1,0.397,0,862,394.438,3.531,5,0.571,0.89,1.0,0.2559882804468508,0.1729576451237064,0.48239496950174765,0.5184617229799191,0.357450654513056
EOS-3-55025,Cc1ccc(-c2nnc3cncc(C(NCc4cc(F)c(Cl)c(F)c4)c4cccc(F)c4)n23)nc1,BHRWXEVSKZESBP-UHFFFAOYSA-N,3,1,0.385,59,358,494.908,5.445,5,0.318,0.67,1.0,0.2967839764238229,0.4065091494757042,0.9859159756013981,0.9827633472688644,0.6679931121924474
EOS-3-55026,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cnc(-c6cncs6)cn5)n34)c2)ncc1F,LDNJRTJSUPETFE-UHFFFAOYSA-N,3,1,0.473,80,355,497.519,4.188,6,0.334,0.67,1.0,0.6866390240559249,0.6226355287505997,0.3037660201494072,0.255234391062984,0.46706874100472895
EOS-3-55027,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nccc(-c5cncc(Cl)c5)n4)n23)cn1,ZRNFNGARMPVYOT-UHFFFAOYSA-N,3,1,0.408,51,943,499.922,3.163,6,0.358,0.69,1.0,0.5459272839421562,0.43408608046055785,0.08530087039956137,0.13618840381056815,0.3003756596532109
EOS-3-55028,c1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,BBMAUJNMUNIIGF-UHFFFAOYSA-N,3,1,0.5,18,181,396.414,2.66,5,0.431,0.79,1.0,0.4030995133986704,0.24416592419984923,0.1730604482215064,0.1719981495442396,0.24808100884106637
EOS-3-55029,COc1nc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3c(Cl)ncc(F)c3F)n12,WRDAGXFFFKBGSI-UHFFFAOYSA-N,3,1,0.511,11,732,494.889,4.81,5,0.3,0.59,1.0,0.9173891439928723,0.8429511342608458,0.7279144678226304,0.7224659036392297,0.8026801624288946
EOS-3-55030,CCc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4cnc(C)nn4)nc3)n12,CSDQFKLDWPAOQU-UHFFFAOYSA-N,3,1,0.291,50,974,398.434,2.31,5,0.453,0.68,0.997,0.04841169213898979,0.032134534987320953,0.03223733808512096,0.02247961071893633,0.03381579398259201
EOS-3-55031,c1cnnc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1,AERRGDAGFNSDCI-UHFFFAOYSA-N,3,1,0.494,18,88,396.414,2.66,5,0.431,0.81,1.0,0.5023901720238503,0.2902902474127887,0.2781766157220204,0.25804434240285107,0.33222534439037765
EOS-3-55032,O=C(NC1CCOCC1)c1ccc(-c2nnc3cncc(-c4cn(-c5cc(F)ccc5F)nn4)n23)cc1,GETDQFFXCJGVIZ-UHFFFAOYSA-N,3,1,0.325,52,997,502.485,3.226,6,0.393,0.87,1.0,0.051598588170790216,0.1308512096497841,0.2312384346514975,0.3698598451099993,0.19588701939551778
EOS-3-55033,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(OC(F)F)c4)n23)cn1,FDPSZJUSYPEMDD-UHFFFAOYSA-N,3,1,0.34,64,972,498.457,3.707,6,0.338,0.65,0.721,0.28034404770063737,0.30531663354122407,0.45092865465012677,0.4521794256733603,0.3721921903913371
EOS-3-55034,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)nc(OCc5ccccc5F)n4)n23)c(F)c1,NRXDHSZXORWINY-UHFFFAOYSA-N,3,1,0.467,59,146,494.889,4.979,5,0.295,0.7,1.0,0.8400983482968953,0.8922366527311356,0.8285929682681105,0.8080409156329244,0.8422422212322664
EOS-3-55035,Brc1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5ncccn5)cn4)n23)nc1,NFVWADJPNWMCIM-UHFFFAOYSA-N,3,1,0.282,86,652,499.296,2.444,6,0.355,0.6,1.0,0.019241313138235898,0.1453550133644027,0.038988074840655196,0.07461791515317662,0.0695505791241176
EOS-3-55036,COc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncn4)n23)ccc1-c1cscn1,URSHGDQYLDZPPN-UHFFFAOYSA-N,3,1,0.465,40,868,495.528,3.749,6,0.323,0.54,1.0,0.38342128709478446,0.33959289973271195,0.3743403467891166,0.2489634020971832,0.33657948392844905
EOS-3-55037,Cc1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1OCc1ccccc1F,QLLRKALIWQJHEJ-UHFFFAOYSA-N,3,1,0.5,43,521,493.901,5.584,5,0.275,0.74,1.0,0.9602923034747447,0.9182030018504558,0.959435610993078,0.9395603454184086,0.9443728154341717
EOS-3-55038,c1cnc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)cn1,GXZXFZIYCOLTNL-UHFFFAOYSA-N,3,1,0.435,18,116,397.402,2.055,5,0.424,0.69,1.0,0.4186570488657392,0.2849787540264547,0.1214875608251662,0.1117983688575149,0.23423043314371875
EOS-3-55039,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cc(Cl)n2)cc1,GLGDVDFUFHJKFF-UHFFFAOYSA-N,3,1,0.578,57,13,485.828,5.642,5,0.183,0.73,1.0,0.9739479816325132,0.9710009594955795,0.9889658008361318,0.9925382084846823,0.9816132376122266
EOS-3-55040,O=C(c1ccc(-c2nnc3cncc(OCc4cncc(-c5csnn5)c4)n23)cc1)N1CCOCC1,XHWULCFYHJVTDV-UHFFFAOYSA-N,3,1,0.561,89,229,500.544,2.756,6,0.346,0.78,1.0,0.11623603591254883,0.0015591803166335413,0.012567678706051676,0.027842505654170378,0.03955135014735111
EOS-3-55041,Fc1cccc(OCc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)c1,YBTTZXPUDFIBTG-UHFFFAOYSA-N,3,1,0.44,1,18,397.413,4.571,5,0.435,0.84,1.0,0.5023987389486669,0.5945959838256459,0.862415187444315,0.8700054828318826,0.7073538482626276
EOS-3-55042,Cc1ccc(COc2cncc3nnc(-c4cc(-c5cnccn5)ccn4)n23)nn1,AXNQPAXDQADVLS-UHFFFAOYSA-N,3,1,0.402,7,587,397.402,2.321,5,0.44,0.69,1.0,0.3045284764580906,0.17296621204852305,0.13557158522376808,0.10494482900418066,0.17950277568364062
EOS-3-55043,Cc1ccnc(-c2ccc(-c3nnc4cncc(-c5ncnn5C(C)C)n34)cc2)n1,VEUFUJQVZBRNHH-UHFFFAOYSA-N,3,1,0.293,29,882,397.446,3.396,5,0.458,0.71,1.0,0.08169419505174423,0.0527465560962237,0.08267082448084435,0.04959392776368995,0.06667637584812555
EOS-3-55044,COCCc1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,QPGKVKUBPCNJFG-UHFFFAOYSA-N,3,1,0.378,68,364,397.389,2.694,4,0.473,0.68,0.993,0.25354670687410047,0.3156569117949421,0.40375916660955385,0.3186810362552258,0.3229109553834556
EOS-3-55045,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4c(F)ccnc4-c4ccc(F)cn4)n23)nc1,KUVHCJQGTQTZAQ-UHFFFAOYSA-N,3,1,0.376,33,344,500.469,3.393,6,0.361,0.72,0.999,0.4535415667192105,0.2236738400383798,0.2744928380508533,0.3408351038311288,0.3231358371598931
EOS-3-55046,COc1ncc(-c2nnc3cncc(Cc4cccc(-c5cncnc5)c4)n23)cn1,NGZYPUYZZYOVEE-UHFFFAOYSA-N,3,1,0.324,82,290,396.414,2.638,5,0.447,0.78,1.0,0.25112226715098346,0.11405147008429854,0.2927489548351724,0.23164964704269755,0.22239308477828798
EOS-3-55047,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5ccnc(F)c5)ncn4)n23)cc1,VDNXGVNPXPAEOE-UHFFFAOYSA-N,3,1,0.353,14,357,397.417,3.682,5,0.43,0.76,1.0,0.4210129531903228,0.3969056267562196,0.6237577959015832,0.6047392228085806,0.5116038996641765
EOS-3-55048,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnn5)n4)n23)cc1F,VDHFBPLPKDUYER-UHFFFAOYSA-N,3,1,0.46,89,788,500.469,3.393,6,0.361,0.71,0.992,0.43457439517510793,0.2745099719004866,0.314731683914742,0.3764563772188335,0.3500681070522925
EOS-3-55049,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccc(F)cc4)n23)c(F)c1,DEOMNMJXPVWQBQ-UHFFFAOYSA-N,3,1,0.447,40,247,496.481,4.506,6,0.335,0.59,1.0,0.7046638338701939,0.6466657528613529,0.7252330203550134,0.714695702830512,0.697814577479268
EOS-3-55050,Cc1cnc(-c2nnc3cncc(OCc4cnc(-c5cccnn5)cn4)n23)cn1,QQLWGUIGWWNPNK-UHFFFAOYSA-N,3,1,0.398,7,828,398.39,1.716,5,0.431,0.64,1.0,0.3649081625659653,0.2236824069631965,0.057535467068741006,0.042886025632239054,0.17225301555753547
EOS-3-55051,Cc1cnc(-c2nnc3cncc(-c4cnn(-c5cccc(Cl)n5)c4)n23)c(-c2ccn(C)c(=O)c2)c1,PWZLSOQUQVNNBR-UHFFFAOYSA-N,3,1,0.252,10,664,495.934,3.762,6,0.342,0.56,0.979,0.04398259200877253,0.13430368035090123,0.3965029812898362,0.4236515660338565,0.24961020492084163
EOS-3-55052,CN1CC(F)C(NC(=O)c2ccc(-c3nnc4cncc(-c5ccc(C(=O)NC6CC6)nn5)n34)cc2)C1,ORDMPOUIVVFZPT-UHFFFAOYSA-N,3,1,0.322,63,862,501.526,1.522,6,0.407,0.66,1.0,0.27731992324035365,0.10456788431224727,0.05008224247824001,0.06889520937564252,0.12521631485162085
EOS-3-55053,Cc1ccc(-c2ccn(C)c(=O)c2)c(-c2nnc3cncc(-c4ncn(-c5cncc(Cl)c5)n4)n23)c1,AJGBKGCYGUHERF-UHFFFAOYSA-N,3,1,0.263,10,871,495.934,3.762,6,0.366,0.5,0.999,0.10053286272359674,0.189988691659242,0.4437153039544925,0.48283188266739774,0.30426718525118224
EOS-3-55054,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5nccn5C)c4)n23)n1,DNNRMPLPTGHMLU-UHFFFAOYSA-N,3,1,0.506,7,43,398.43,2.869,5,0.449,0.66,1.0,0.27225687067370297,0.14170550339250224,0.18266397094099102,0.11652731135631554,0.17828841409087795
EOS-3-55055,CC(O)(c1ccc(-c2nnc3cncc(-c4cn(-c5cncnc5)cn4)n23)nc1)c1ccc(Cl)cn1,AHZFKENFSQZQEZ-UHFFFAOYSA-N,3,1,0.264,86,892,496.922,3.133,6,0.382,0.51,0.318,0.08850490028099513,0.22369097388801315,0.7226886436844631,0.6141971078061819,0.4122704064149133
EOS-3-55056,Cc1cncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6CC(F)F)cn5)n34)cn2)n1,ZDFJKMMAWYPACR-UHFFFAOYSA-N,3,1,0.303,86,968,498.461,2.932,6,0.337,0.57,1.0,0.24024227263381537,0.2334744020286478,0.16647248303748885,0.18842094441779178,0.20715252552943594
EOS-3-55057,Cc1cc(-c2cnc(-c3nnc4cncc(OCc5cnccn5)n34)cn2)ccn1,CMVRLWBEFDBSIG-UHFFFAOYSA-N,3,1,0.414,7,535,397.402,2.321,5,0.44,0.69,1.0,0.329997943938044,0.21829381125351244,0.16016722637242137,0.1187461448838325,0.2068012816119526
EOS-3-55058,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5Cl)n34)c(F)c2)nn1,DTVNXSHINNPINL-UHFFFAOYSA-N,3,1,0.34,61,341,500.925,4.303,6,0.383,0.75,1.0,0.21828524432869578,0.35408813652251386,0.41415084641217187,0.5383798231786718,0.38122601261051337
EOS-3-55059,COc1cccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ncccc5Cl)cc4)n23)c1,CTQXIPXJOBVSIB-UHFFFAOYSA-N,3,1,0.393,69,695,490.954,6.244,6,0.284,0.73,1.0,0.4303509012404907,0.48218936330614764,0.8372541292577617,0.836782948392845,0.6466443355493112
EOS-3-55060,CNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(OC)nc4)n23)cc1F,JZRYSYCIVINFIZ-UHFFFAOYSA-N,3,1,0.46,90,636,394.366,2.486,4,0.555,0.85,1.0,0.8018470289904736,0.5235419093962032,0.4859416763758481,0.2727366184634364,0.5210168083064903
EOS-3-55061,Cn1nccc1-c1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c1,RQFCVPHRRDDSJJ-UHFFFAOYSA-N,3,1,0.5,77,427,493.958,5.486,6,0.305,0.65,1.0,0.6896374477417586,0.6368908916455349,0.8158882187649921,0.792860324857789,0.7338192207525187
EOS-3-55062,Cn1nc(-c2nnc(-c3ccccn3)n2C)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,OCTGFUFEEXYCOR-UHFFFAOYSA-N,3,1,0.505,71,415,498.938,3.615,6,0.342,0.65,1.0,0.5098348296895346,0.7896477280515386,0.10199780686724694,0.16915393050510588,0.3926585737783565
EOS-3-55063,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(Br)cc(Cl)c4F)n23)nc1,JOIMMRQQVZVRJI-UHFFFAOYSA-N,3,1,0.396,63,505,501.747,4.224,5,0.414,0.76,0.844,0.2073624151874443,0.3297580700431773,0.5029641559865671,0.6661812075937221,0.4265664622027277
EOS-3-55064,CC12CCC(C1)N(C(=O)c1ccc(-c3nnc4cncc(-c5cnn(-c6cnccn6)c5)n34)c(F)c1)C2,NUFVZEGXXCJXOS-UHFFFAOYSA-N,3,1,0.355,52,800,495.522,3.588,7,0.375,0.49,0.992,0.04256048248920567,0.1417140703173189,0.028750599684737168,0.18023096429305738,0.09831402919607977
EOS-3-55065,Cc1nc(-c2cc(Cl)ccc2-c2nnc3cncc(-c4ncnnc4-c4ccc(F)cc4)n23)n(C)n1,BWFVZAOUYYGBAU-UHFFFAOYSA-N,3,1,0.329,3,507,498.913,4.207,6,0.355,0.66,0.883,0.21829381125351244,0.41140943047083817,0.31474025083955864,0.467814063463779,0.3530643890069221
EOS-3-55066,Cc1cccc(COc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)n1,IONBCQYIKMORDW-UHFFFAOYSA-N,3,1,0.494,4,506,397.442,3.474,5,0.452,0.74,1.0,0.3220821054074429,0.1607412103351381,0.4288602563223905,0.32171372764032624,0.30834932492632444
EOS-3-55067,Cn1c(F)cnc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnn5)c4)n23)c1,BKPCKSKWYHNWTF-UHFFFAOYSA-N,3,1,0.495,43,247,497.469,3.901,6,0.341,0.59,1.0,0.6238605989993832,0.46036083887327806,0.6941008155712426,0.6547186621890206,0.6082602289082311
EOS-3-55068,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ncccc1F,DHXHSSFUGGTHJV-UHFFFAOYSA-N,3,1,0.434,49,501,495.877,4.205,5,0.31,0.56,0.999,0.837682475498595,0.7425125077102324,0.6475738468919197,0.6228497018710164,0.7126546329929409
EOS-3-55069,CCn1cc(-c2ncc(-c3nnc4cncc(-c5ccc(C(=O)N6CCC(C)(F)C6)cn5)n34)cn2)cn1,KEXHKQCPCKLNRS-UHFFFAOYSA-N,3,1,0.301,63,800,498.526,3.101,6,0.363,0.63,0.998,0.07140531834692619,0.09818552532382976,0.009055239531217875,0.01931841546158591,0.04949112466588993
EOS-3-55070,N#Cc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,ARAFYTCCZTZAJT-UHFFFAOYSA-N,3,1,0.525,90,555,397.225,3.944,4,0.485,0.75,1.0,0.8736806935782332,0.942233225961209,0.9162326091426222,0.9370502364471249,0.9172991912822972
EOS-3-55071,O=c1cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)cc(-c2ccc(F)c(Cl)c2)[nH]1,VFUMYLZKFQTSLF-UHFFFAOYSA-N,3,1,0.534,88,795,498.305,4.004,5,0.377,0.64,1.0,0.6382273319169351,0.5465698033034062,0.7226972106092797,0.8148773216366253,0.6805929168665615
EOS-3-55072,Cc1nc(-c2ccc(F)nc2F)cc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)n1,UFRXNRXPWLCJSM-UHFFFAOYSA-N,3,1,0.473,44,531,497.868,4.644,5,0.315,0.68,1.0,0.8468576519772463,0.8464550065108628,0.8212254129257761,0.8367915153176616,0.8378323966828868
EOS-3-55073,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)n1,NVAZAEDWNXLRGW-UHFFFAOYSA-N,3,1,0.461,7,726,397.402,2.321,5,0.44,0.69,1.0,0.33485539030909467,0.16074977725995476,0.09960763484339662,0.07263895552052635,0.1669629394832431
EOS-3-55074,Cc1cnc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5c(F)cncc5Cl)n34)c2)nn1,FGASYZDTTALPAH-UHFFFAOYSA-N,3,1,0.593,37,559,497.321,4.414,5,0.34,0.58,1.0,0.7903759166609554,0.8589798505928312,0.6207765060653828,0.7062058803371941,0.7440845384140908
EOS-3-55075,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5nc(-c6ccnc(Cl)c6)ns5)n34)cc2)s1,WYGLTUAEOCIDPL-UHFFFAOYSA-N,3,1,0.325,38,532,488.001,6.062,6,0.281,0.66,1.0,0.2236738400383798,0.3104996230553081,0.43645055170995817,0.5320060311150709,0.37565751147967924
EOS-3-55076,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc7cnccc7n6)cc5)n34)nc2)nc1,XMQLCMBZYPFNNJ-UHFFFAOYSA-N,3,1,0.271,42,106,499.473,3.85,7,0.351,0.68,1.0,0.3272565279967103,0.3734493866081831,0.3293211568775272,0.3796347063258173,0.3524154444520595
EOS-3-55077,Cn1nccc1-c1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4F)n23)c1,QYDBTQYWSCYXSF-UHFFFAOYSA-N,3,1,0.462,40,247,496.481,4.506,6,0.335,0.58,1.0,0.6238691659241998,0.569709067233226,0.8403724898910288,0.7951990953327394,0.7072874545952985
EOS-3-55078,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)nn1,KFWJNHHUNWWJBW-UHFFFAOYSA-N,3,1,0.465,53,587,397.402,2.321,5,0.44,0.68,1.0,0.312410047289425,0.15700603111507094,0.09690048660132959,0.07840449592214378,0.16118026523199233
EOS-3-55079,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nccnc4-c4cnc(Cl)nc4)n23)cc1,KGASDOYVXZBFOC-UHFFFAOYSA-N,3,1,0.442,56,8,497.91,3.066,6,0.316,0.59,0.982,0.46986155849496264,0.4913645397847988,0.16959941059557262,0.17200671646905627,0.32570805633609756
EOS-3-55080,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6-c6ncccn6)nn5)n34)cc2)nc1,CYJGYMHEFMNRAM-UHFFFAOYSA-N,3,1,0.282,38,608,498.474,2.138,7,0.34,0.54,1.0,0.022256870673702966,0.041823726954972246,0.02771400178192036,0.0392279487355219,0.03275563703652937
EOS-3-55081,Cn1cncc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(Cl)cn1,LWTGRHRLLITVKW-UHFFFAOYSA-N,3,1,0.458,89,398,500.95,3.711,6,0.362,0.77,1.0,0.5282537180453705,0.39691419368103625,0.29637276403262286,0.3217222945651429,0.3858157425810431
EOS-3-55082,Cc1ccc(-c2cc(-c3nnc4cncc(Oc5ccc(-c6nccn6C)cn5)n34)ccc2Cl)nc1,NVNJAVNCYISCSS-UHFFFAOYSA-N,3,1,0.366,41,318,494.946,5.403,6,0.316,0.69,1.0,0.6683315057227058,0.6710129531903228,0.6351775066822014,0.592916866561579,0.6418597080392022
EOS-3-55083,Cc1cccc(COc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)n1,HIYUVSBBTGSZAB-UHFFFAOYSA-N,3,1,0.518,4,506,397.442,3.474,5,0.452,0.73,1.0,0.2616852854499349,0.17297477897333974,0.45812487149612774,0.34084367075594546,0.308407151668837
EOS-3-55084,CCc1cc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc(C)n1,XUZTZBFYWXXVKN-UHFFFAOYSA-N,3,1,0.482,68,127,397.389,3.364,4,0.493,0.64,1.0,0.4923840038379823,0.5054656980330341,0.47885682955246384,0.30960009594955795,0.44657665684325953
EOS-3-55085,COc1ncc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)cc1-c1ccc(Cl)nc1,BHEBVMJFNVJNBF-UHFFFAOYSA-N,3,1,0.417,27,69,496.865,4.217,5,0.305,0.64,1.0,0.6439157699952025,0.7684360222054691,0.7407048865739154,0.6170241929956822,0.6925202179425674
EOS-3-55086,FCc1ncc(-c2cnc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5F)n34)cn2)cn1,KVXJYTOHEUPBPE-UHFFFAOYSA-N,3,1,0.284,39,449,498.432,3.91,6,0.348,0.58,1.0,0.3880217257213351,0.4114179973956549,0.4581334384209444,0.5184702899047358,0.44401086286066754
EOS-3-55087,Cc1ncc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cn1,SYFGWXCLSKJXPJ-UHFFFAOYSA-N,3,1,0.488,51,969,396.414,2.926,5,0.447,0.77,1.0,0.5098433966143513,0.3590569529161812,0.40747721197998765,0.3376910424234117,0.40351715098348295
EOS-3-55088,CCc1nc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccnc(Cl)n1,NOCVUUSQMGJGAL-UHFFFAOYSA-N,3,1,0.416,58,954,493.358,4.529,5,0.241,0.62,0.748,0.6714841340552395,0.7379206360084984,0.2781851826468371,0.3408522376807621,0.5071105475978344
EOS-3-55089,Cc1ncc(-c2nnc3cncc(OCc4cncc(-c5cccnn5)n4)n23)cn1,SZGYVDLJNMCIJI-UHFFFAOYSA-N,3,1,0.407,7,535,398.39,1.716,5,0.431,0.6,1.0,0.407494345829621,0.2490662051949832,0.06745596600644232,0.050810431087656774,0.19370673702967584
EOS-3-55090,Fc1cc(-c2cc(C(F)F)ncn2)cc(-c2nnc3cncc(-c4ccc(-c5ccncc5)cn4)n23)c1,HRUFONRRCYDLGC-UHFFFAOYSA-N,3,1,0.292,32,20,496.456,5.449,6,0.313,0.74,1.0,0.25892673565896784,0.4426787060516757,0.9230261805222397,0.9004180659310533,0.6312624220409842
EOS-3-55091,c1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)nc1,VPKNXWUYFOCDFD-UHFFFAOYSA-N,3,1,0.581,65,131,396.414,2.66,5,0.431,0.78,1.0,0.5868771845658283,0.44268727297649235,0.2630902611198684,0.22890823110136385,0.38039073744088825
EOS-3-55092,Cc1cc(OCc2cncc3nnc(-c4ccc(C(=O)O)cc4)n23)ccc1Cl,LYAAMFGBOIXYED-UHFFFAOYSA-N,3,1,0.484,48,189,394.818,4.03,4,0.549,0.85,1.0,0.6238777328490165,0.3590655198409979,0.7930830649030224,0.6838890411897746,0.6149788396957028
EOS-3-55093,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cn5)n34)cc2Cl)no1,XERKSSLFRJUDET-UHFFFAOYSA-N,3,1,0.58,4,71,498.728,4.54,5,0.348,0.72,1.0,0.5701888150229594,0.7238880131587965,0.4649955451990953,0.4889315331368652,0.562000976629429
EOS-3-55094,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5c[nH]nn5)n4)n23)cc1,ALXRJVHWJQIXBG-UHFFFAOYSA-N,3,1,0.333,74,423,397.402,1.998,5,0.475,0.7,1.0,0.09821122609827976,0.0680470838187924,0.1762045096292235,0.12105064765951613,0.11587836680145294
EOS-3-55095,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnn(-c6ccccn6)n5)n34)cc(Cl)n2)cn1,PDILUFLYGHEVMV-UHFFFAOYSA-N,3,1,0.45,6,843,497.91,3.16,6,0.316,0.62,0.995,0.16275443766705502,0.3003478171475567,0.11558494962648208,0.12759577821945034,0.17657074566513603
EOS-3-55096,Fc1ccc(-c2nnc(-c3ccc(-c4nnc5cncc(OCCc6ccccc6F)n45)cn3)o2)cc1,RXGJKJVTQGXNCX-UHFFFAOYSA-N,3,1,0.609,77,732,497.465,4.803,6,0.31,0.75,1.0,0.8976595161400863,0.8558443561099308,0.6859793708450415,0.7007744500034268,0.7850644232746213
EOS-3-55097,Cc1ccc(-c2cnnc(-c3nnc4cncc(OCc5cncnc5)n34)c2)nc1,VIKXFBPNAIEFOG-UHFFFAOYSA-N,3,1,0.391,92,62,397.402,2.321,5,0.44,0.67,1.0,0.4323726954972243,0.1990953327393599,0.20998389418134467,0.17201528339387293,0.25336680145295043
EOS-3-55098,c1cnc(-c2ncncc2-c2nnc3cncc(OCCc4ccncn4)n23)nc1,IJROUHZSFHSFBQ-UHFFFAOYSA-N,3,1,0.467,65,631,398.39,1.45,5,0.414,0.63,1.0,0.4580306353231444,0.32536323761222674,0.0362466588993215,0.03476458090603797,0.21360127818518265
EOS-3-55099,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cnc(-c5cccc(-c6nn[nH]n6)c5)nc4)n23)cn1,CVESPXFUDRIRFO-UHFFFAOYSA-N,3,1,0.264,42,106,500.49,2.286,7,0.368,0.64,1.0,0.09587245562332945,0.08577205126447811,0.0760057569734768,0.08005791241176068,0.08442704406826126
EOS-3-55100,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)nc1,VNTVOINLCIWSEZ-UHFFFAOYSA-N,3,1,0.425,51,879,396.414,2.926,5,0.447,0.78,1.0,0.4439551778493592,0.3781440614077171,0.22750325543143032,0.18555102460420808,0.30878837982317864
EOS-3-55101,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccccn5)n34)c2)nn1,WTIAKZKADCIKNI-UHFFFAOYSA-N,3,1,0.605,4,506,396.414,2.926,5,0.447,0.76,1.0,0.362620793639915,0.3053252004660407,0.2347765746007813,0.19928380508532656,0.2755015934480159
EOS-3-55102,CCc1ncc(Cc2cncc3nnc(-c4ccc(Br)cc4)n23)cn1,CLEHZPWTWBYMBP-UHFFFAOYSA-N,3,1,0.47,68,364,395.264,3.497,4,0.529,0.78,1.0,0.3419488040572956,0.42502227400452336,0.26693681036255223,0.3096086628743746,0.3358791378246864
EOS-3-55103,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5cnncn5)c4)n23)nn1,YUTYBKHSJWJSFX-UHFFFAOYSA-N,3,1,0.483,36,506,397.402,2.321,5,0.44,0.66,1.0,0.4031080803234871,0.30035638407237336,0.19936090740867657,0.16134946199712152,0.2660437084504147
EOS-3-55104,COc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ncc(F)cn1,TXDBANOBCVIFRL-UHFFFAOYSA-N,3,1,0.429,18,896,496.865,3.6,5,0.312,0.55,0.999,0.8493077924748133,0.7596977588924679,0.47520731958056334,0.44892399424302654,0.6332842162977177
EOS-3-55105,Cc1csc(-c2ccc(-c3nnc4cncc(-c5ncnc(Cc6ccccc6Cl)n5)n34)cc2)n1,ODGZTSPCTZYSCP-UHFFFAOYSA-N,3,1,0.345,3,532,496.987,5.319,6,0.318,0.77,1.0,0.21006956342951133,0.38759337948050165,0.3554759783428141,0.43930333767390856,0.3481105647316839
EOS-3-55106,Cc1ccncc1-c1ncncc1-c1nnc2cncc(OCc3cccnn3)n12,DJTQRCMVJQEZPS-UHFFFAOYSA-N,3,1,0.435,92,85,397.402,2.321,5,0.44,0.69,1.0,0.2967925433486396,0.19910389966417655,0.1508721129463368,0.13198204372558425,0.1946876499211843
EOS-3-55107,CCOC(=O)c1cccc(-c2cccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)c2)c1,HYIPASIOJVTNQE-UHFFFAOYSA-N,3,1,0.484,1,347,490.972,5.929,5,0.263,0.74,1.0,0.5899955451990954,0.5607137961757248,0.7095812487149613,0.6462459735453362,0.6266341409087794
EOS-3-55108,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5cccc(F)c5F)n34)c(F)c2)cn1,ZFVPVUKVBRZDSH-UHFFFAOYSA-N,3,1,0.276,64,27,496.456,5.098,6,0.335,0.6,1.0,0.34195737098211226,0.442695839901309,0.8192721540675759,0.8389161126721952,0.6107103694057981
EOS-3-55109,Cc1cc(C#N)ccc1-c1ccc(-c2nnc3cncc(OCc4cccc(-c5nccnn5)n4)n23)cn1,USXXAQJXJDWQKD-UHFFFAOYSA-N,3,1,0.4,28,218,498.51,3.859,6,0.332,0.66,0.999,0.5868857514906449,0.5416780892330889,0.45468953464464396,0.4014546638338702,0.496177009800562
EOS-3-55110,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccnc(C6(F)COC6)c5)nn4)n23)cc1,SZGQZRXCWRKBPC-UHFFFAOYSA-N,3,1,0.292,98,890,495.482,2.424,7,0.354,0.45,1.0,0.0694606264135426,0.18576519772462477,0.26694537728736895,0.2580529093276677,0.195056027688301
EOS-3-55111,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cnccn5)n34)ncn2)nn1,QGNLJADBTJNJEZ-UHFFFAOYSA-N,3,1,0.38,7,296,398.39,1.716,5,0.431,0.6,0.942,0.3069443492563909,0.16075834418477145,0.067464532931259,0.04818038516893976,0.14583690288534026
EOS-3-55112,Cc1ncnc(-c2ccc(F)cc2)c1-c1nnc2cncc(OCc3ncc(-c4cscn4)cn3)n12,VQPHFKBVQYIMIU-UHFFFAOYSA-N,3,1,0.427,6,518,497.519,4.188,6,0.334,0.66,1.0,0.6013467205811802,0.6662154752929889,0.25599684737166745,0.27600918374340344,0.44989205674731003
EOS-3-55113,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5ccccc5Cl)c4)n23)s1,SEHKCOAIUYCQTD-UHFFFAOYSA-N,3,1,0.333,30,192,486.963,6.38,6,0.29,0.66,0.772,0.1707730792954561,0.3208142005345761,0.8248834898224933,0.8841152080049346,0.550146494414365
EOS-3-55114,Cc1nnc(Cl)cc1-c1cnnc(COc2cncc3nnc(-c4ccc(Cl)c(CF)c4)n23)c1,SXFFQOVWWDHODD-UHFFFAOYSA-N,3,1,0.442,36,534,497.321,4.702,5,0.333,0.63,1.0,0.7588410664108012,0.8969313275306696,0.7122626961825783,0.7412788705366322,0.7773284901651702
EOS-3-55115,COc1ccc(-c2nnc3cncc(Cc4ccc(-c5cncnc5)cn4)n23)cn1,WRTWVIVIJOEBAK-UHFFFAOYSA-N,3,1,0.341,82,290,396.414,2.638,5,0.447,0.77,1.0,0.24025083955863202,0.18577376464944143,0.3332962099924611,0.2403707765060654,0.24992289767665
EOS-3-55116,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5ccc(F)nc5)ccn4)n23)nc1,OHBCFJCZJZWVIK-UHFFFAOYSA-N,3,1,0.351,85,81,397.417,3.682,5,0.43,0.73,1.0,0.29402542663285586,0.29546467000205606,0.5743095058597766,0.5645774792680419,0.4320942704406826
EOS-3-55117,Cn1cc(-c2ccnc(-c3nnc4cncc(OCc5c(F)cnc(Br)c5F)n34)c2)cn1,KPHKTQKNMCCRSL-UHFFFAOYSA-N,3,1,0.383,46,711,499.279,3.602,5,0.341,0.65,0.999,0.462631073949695,0.40199438009732025,0.6941093824960592,0.6344750188472346,0.5483024638475773
EOS-3-55118,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5cccnc5)n34)ncn2)n1,KEDOHNDNHCBMAJ-UHFFFAOYSA-N,3,1,0.457,7,185,398.39,1.716,5,0.431,0.6,1.0,0.314962990884792,0.27451853882530325,0.05387739017202385,0.0455075046261394,0.17221660612706463
EOS-3-55119,Cc1ncc(-c2nnc3cncc(OCc4ccc(-n5cccc5C)cn4)n23)cn1,CVZGVJORTMAPDZ-UHFFFAOYSA-N,3,1,0.506,7,567,398.43,2.963,5,0.449,0.6,1.0,0.2722654375985196,0.16858851346720582,0.28916798026180524,0.1829381125351244,0.22824001096566376
EOS-3-55120,Cn1ncc(-c2cc(F)c(COc3cncc4nnc(-c5ccc(-c6ncc(F)cn6)nc5)n34)cn2)n1,LYCHSYZSUQSFRO-UHFFFAOYSA-N,3,1,0.426,80,930,499.445,2.691,6,0.337,0.64,1.0,0.6293776985813172,0.49137310670961554,0.3108165992735248,0.2818603933931876,0.4283569494894113
EOS-3-55121,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cnc(Br)c4F)n23)cn1,OPMOABFTOFEJNW-UHFFFAOYSA-N,3,1,0.44,55,930,499.279,3.602,5,0.341,0.63,0.998,0.7411417997395655,0.6906055102460421,0.5773764649441436,0.5285192927146871,0.6344107669111096
EOS-3-55122,Cc1cccc(COc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)n1,VMHCLDACJCBVOT-UHFFFAOYSA-N,3,1,0.398,7,296,397.402,2.321,5,0.44,0.7,0.838,0.31742169830717565,0.1607669111095881,0.1388612843533685,0.10078987046809677,0.17945994105955726
EOS-3-55123,Cc1nc2ccccc2cc1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccncc4)n23)cc1,LMPKHYRADGYPGG-UHFFFAOYSA-N,3,1,0.287,69,696,492.546,5.834,7,0.305,0.65,1.0,0.14050613391816874,0.14172263724213557,0.6560465355356041,0.6719724487697896,0.4025619388664245
EOS-3-55124,CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)cc1,UXWVQIQXNQDLQX-UHFFFAOYSA-N,3,1,0.368,74,437,393.838,3.042,4,0.559,0.89,1.0,0.1879411966280584,0.1857823315742581,0.11559351655129875,0.11410287163319854,0.15085497909670342
EOS-3-55125,Fc1ncccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cnc6ccccc6n5)cc4)n23)cnn1,IFLWICNYVUEJNV-UHFFFAOYSA-N,3,1,0.295,69,152,497.497,5.06,7,0.311,0.71,1.0,0.2667654718662189,0.40651771640052087,0.6589250222740045,0.6894318415461586,0.5054100130217257
EOS-3-55126,Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccc(C)nc5)n34)c2)nc1,CMQZQUSUQDDOTP-UHFFFAOYSA-N,3,1,0.398,2,131,396.414,3.447,5,0.455,0.8,1.0,0.4464738537454595,0.25405215543828386,0.28203173188952096,0.19643958604619285,0.2947493317798643
EOS-3-55127,Cn1nc(-c2nnc3cncc(OCc4cccnn4)n23)cc1-c1nnccc1-c1ccc(F)c(F)c1,QFRBQNLCWMSXAA-UHFFFAOYSA-N,3,1,0.41,71,826,498.457,3.296,6,0.34,0.59,0.945,0.4345829620999246,0.4384209444177918,0.4254848879446234,0.45845041463916114,0.43923480227537526
EOS-3-55128,Cc1cnccc1-c1ccc(-c2nnc3cncc(-c4cnn(CCO)c4)n23)nc1,NDYPUCKVLMVLEJ-UHFFFAOYSA-N,3,1,0.309,50,974,398.43,2.413,5,0.484,0.56,1.0,0.06021691453635803,0.024381468028236583,0.25600541429648416,0.2316582139675142,0.14306550270714824
EOS-3-55129,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(Br)n4)n23)c(F)c1,QTYRCYIOWYOMMH-UHFFFAOYSA-N,3,1,0.489,4,712,498.291,4.207,5,0.338,0.64,1.0,0.7232197930230965,0.7005431430333767,0.8078610102117744,0.7694554862586526,0.7502698581317251
EOS-3-55130,Cc1ccnc(COc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)n1,PPDFGEXDAYFISE-UHFFFAOYSA-N,3,1,0.455,75,496,396.414,2.926,5,0.447,0.76,1.0,0.4439637447741759,0.3494448632718799,0.2134106641080118,0.1720238503186896,0.29471078061818934
EOS-3-55131,Cc1cccc(COc2cncc3nnc(-c4cccc(-c5nccn5C)c4)n23)n1,OTLPPDXBLNJYJE-UHFFFAOYSA-N,3,1,0.506,4,506,397.442,3.474,5,0.452,0.7,1.0,0.28562127338770477,0.1646305942019053,0.34017545062024535,0.24609348228359948,0.2591302001233637
EOS-3-55132,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(F)nn5)n4)n23)cn1,RTJZXFUNSHUNKJ-UHFFFAOYSA-N,3,1,0.434,6,843,499.445,2.691,6,0.337,0.64,1.0,0.4725944075114797,0.4962990884791995,0.20649715578096087,0.20236789801932697,0.34443963744774175
EOS-3-55133,c1cc(CCOc2cncc3nnc(-c4cncc(-c5cnccn5)c4)n23)ccn1,ZCLDIMCPNXWYKJ-UHFFFAOYSA-N,3,1,0.558,65,858,396.414,2.66,5,0.431,0.78,1.0,0.5559591529024741,0.4427044068261257,0.34393633061476253,0.2999109039819067,0.4106276985813172
EOS-3-55134,Cc1cc(=NC(=O)c2ccc(-c3nnc4cncc(Cl)n34)cc2)[nH]cc1Cl,ADIPTYMGNDAHAS-UHFFFAOYSA-N,3,1,0.565,48,999,399.241,3.476,4,0.559,0.6,1.0,0.19904393119045988,0.2591066410801179,0.6696251113700226,0.6778921938181071,0.45141696936467685
EOS-3-55135,C#Cc1ncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1Cl,QASOMPDRWARIPE-UHFFFAOYSA-N,3,1,0.681,90,555,396.237,4.053,4,0.487,0.81,1.0,0.9652097183195121,0.9582790761428278,0.8955691864848194,0.917346309368789,0.934101072578987
EOS-3-55136,Cc1cnc(-c2cc(-c3nnc4cncc(COc5cccnc5)n34)ccn2)cn1,ITWKMCVTDOILIG-UHFFFAOYSA-N,3,1,0.361,75,767,396.414,2.926,5,0.447,0.79,1.0,0.30695291618120757,0.127578644369817,0.27038071413885273,0.21139743677609485,0.22907742786649304
EOS-3-55137,c1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccnnc5)c4)n23)c1,UKOBQWGYCVYBEW-UHFFFAOYSA-N,3,1,0.584,75,496,396.414,2.66,5,0.431,0.77,1.0,0.5868943184154616,0.38760194640531836,0.340184017545062,0.30296929614145707,0.40441239462682477
EOS-3-55138,CCn1c(-c2cccnn2)nnc1-c1cncc2nnc(-c3cc(-c4cccc(F)c4)ccc3Cl)n12,CXEVZECJNBRMFZ-UHFFFAOYSA-N,3,1,0.337,3,474,497.925,4.986,6,0.331,0.72,0.75,0.17917723254060722,0.39222808580631896,0.35548454526763074,0.5898070728531286,0.3791742341169214
EOS-3-55139,Cc1ncc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)cn1,PZUKMVIMSXHEOR-UHFFFAOYSA-N,3,1,0.494,55,283,397.402,2.321,5,0.44,0.66,0.998,0.49239257076279896,0.26949832088273595,0.17940853951065724,0.12760434514426702,0.2672259440751148
EOS-3-55140,c1ccc(Cn2nnc(-c3ccccc3)c2-c2cncc3nnc(-c4ccc(-c5nc[nH]n5)cn4)n23)cc1,OCVTZCXNLBHYGR-UHFFFAOYSA-N,3,1,0.266,30,737,497.526,3.945,7,0.366,0.55,0.998,0.0654427386745254,0.06041395380714139,0.12977177712288396,0.21140600370091153,0.11675861832636558
EOS-3-55141,Cn1nccc1-c1cnnc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)n1,OWOKIUGWWXQUTD-UHFFFAOYSA-N,3,1,0.4,71,247,498.457,3.296,6,0.318,0.6,1.0,0.5355955726132547,0.6038825303269139,0.4581420053457611,0.46782263038859573,0.5163606846686313
EOS-3-55142,Cc1ccc(-c2cc(-c3nnc4cncc(CCc5cnn(C)c5)n34)ncn2)cn1,GNJUZHXGGQLWNY-UHFFFAOYSA-N,3,1,0.287,85,580,397.446,2.47,5,0.449,0.75,0.992,0.024415735727503256,0.015163456925502021,0.11261222671509835,0.09082653690631211,0.06075448906860394
EOS-3-55143,COc1cnc(-c2cncc3nnc(-c4ccc(-c5ccccc5C)cn4)n23)nc1,GUBLYOUTZXXEEK-UHFFFAOYSA-N,3,1,0.323,82,856,395.426,3.627,5,0.459,0.87,1.0,0.21538962374066206,0.07883284216297717,0.3590141182920979,0.3125556850113083,0.24144806730176133
EOS-3-55144,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)nc2)n(CC(F)F)n1,MJFQVAYANQHJLK-UHFFFAOYSA-N,3,1,0.309,52,295,501.501,3.578,6,0.362,0.79,0.997,0.1735401960112398,0.1570145980398876,0.12677335343705023,0.16135802892193818,0.15467154410252895
EOS-3-55145,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nc1,WMUXGSPXZJVSHD-UHFFFAOYSA-N,3,1,0.482,46,62,396.414,2.926,5,0.447,0.75,1.0,0.44397231169899254,0.31566547871975875,0.16338839010348846,0.13619697073538484,0.2648057878144061
EOS-3-55146,Cc1ncc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)cn1,YSUBRJMKZRJHAJ-UHFFFAOYSA-N,3,1,0.512,7,85,397.402,2.321,5,0.44,0.66,1.0,0.4416592419984922,0.35907408676581454,0.13262456308683435,0.08701425536289494,0.25509303680350903
EOS-3-55147,Cc1nc(-c2cn[nH]c2)ccc1-c1cncc2nnc(-c3ccc(C(N)=O)nc3)n12,OZYJLIHQELOZLN-UHFFFAOYSA-N,3,1,0.326,82,336,397.402,2.046,5,0.473,0.67,1.0,0.13003735179220066,0.09185456788431225,0.1417911726406689,0.09877664313617984,0.1156149338633404
EOS-3-55149,Cc1ncc(COc2cncc3nnc(-c4ccc(C#N)cc4F)n23)nc1Cl,BYSRTMOZBFANAE-UHFFFAOYSA-N,3,1,0.488,90,555,395.785,3.133,4,0.523,0.78,1.0,0.8227160578438764,0.8922452196559523,0.6832636556781577,0.7147042697553286,0.7782323007333287
EOS-3-55150,N#Cc1ccc(-c2ncnnc2-c2nnc3cncc(OCc4cnco4)n23)cc1,DSWJMOAMIWAZOZ-UHFFFAOYSA-N,3,1,0.438,89,256,397.358,2.082,5,0.433,0.69,1.0,0.46030087039956136,0.3053337673908574,0.24540812829826605,0.2699952025221027,0.32025949215269683
EOS-3-55151,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)nn1,UZRBUIXTYSNWOQ-UHFFFAOYSA-N,3,1,0.494,75,183,396.414,2.926,5,0.447,0.75,1.0,0.3419659379069289,0.2287625933794805,0.2703892810636694,0.21987869234459598,0.2652491261736687
EOS-3-55152,c1cnc(CCOc2cncc3nnc(-c4cnnc(-c5cnccn5)c4)n23)cn1,JDYDUXTZHGJTKR-UHFFFAOYSA-N,3,1,0.444,65,658,398.39,1.45,5,0.414,0.59,1.0,0.4513313001165102,0.3637773284901652,0.06527996710300871,0.06534850250154205,0.2364342745528065
EOS-3-55153,Cc1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5F)cc4C)n23)cn1,IPTVYWSGDODYDH-UHFFFAOYSA-N,3,1,0.387,82,478,397.417,4.066,5,0.427,0.75,0.992,0.2992512507710232,0.40200294702213696,0.6351860736070181,0.5807518333219107,0.4792980261805222
EOS-3-55154,Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nc5)nc4)n23)cc(C)n1,VHFIZFRIFHOOCT-UHFFFAOYSA-N,3,1,0.325,82,478,397.417,4.066,5,0.427,0.75,1.0,0.280352614625454,0.3253718045370434,0.6417483380165856,0.5837502570077445,0.45780575354670694
EOS-3-55155,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccnc(F)c6)nc5)n34)cnn2)s1,SKSSUOVNKXGJLX-UHFFFAOYSA-N,3,1,0.41,6,226,498.507,3.583,6,0.314,0.66,0.942,0.5485658967856898,0.579689534644644,0.20650572270577752,0.20825337536837776,0.3857536323761223
EOS-3-55156,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)nc5Cl)n34)ccn2)ccc1F,XKZNYEUIGWULKA-UHFFFAOYSA-N,3,1,0.489,75,278,496.333,5.019,5,0.326,0.61,1.0,0.867058460694949,0.8528544993489137,0.6941179494208759,0.7669111095881023,0.7952355047632103
EOS-3-55157,N#CCc1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5)cn4)n23)cn1,NOTXVDQIOKTMMT-UHFFFAOYSA-N,3,1,0.341,82,155,396.389,3.244,5,0.463,0.75,0.945,0.10054142964841341,0.25911520800493454,0.709589815639778,0.72519018573093,0.44860915975601395
EOS-3-55158,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nnccc5-c5ccccc5)n34)c(F)c2)cs1,LNWFUOGARQNPDX-UHFFFAOYSA-N,3,1,0.457,12,285,495.543,5.398,6,0.306,0.76,1.0,0.5407014598039888,0.6662240422178055,0.5836560208347612,0.5742238366116099,0.5912013398670414
EOS-3-55159,Cc1ncc(-c2nnc3cncc(CCc4ccc(Cl)cn4)n23)c(-c2ccc(C(F)(F)F)nc2)n1,VLWBXOGAIQHFJB-UHFFFAOYSA-N,3,1,0.393,85,580,496.884,4.804,5,0.345,0.59,0.999,0.5407100267288054,0.6038910972517305,0.8322339113151943,0.7566650675073675,0.6833750257007745
EOS-3-55160,Cc1nc(-c2ccc(-c3cncc4nnc(-c5cc(F)ccc5-c5cccc(F)c5)n34)nc2)ncc1F,FLQCDSNJPFYPNM-UHFFFAOYSA-N,3,1,0.341,32,192,495.468,5.703,6,0.312,0.71,1.0,0.3467120142553629,0.5465783702282229,0.8680522239736824,0.8870108285929683,0.662088359262559
EOS-3-55161,Cc1cc(Cl)c(-c2cncc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)c5)n34)c2)cn1,WCRPCHWELWYDIS-UHFFFAOYSA-N,3,1,0.687,84,884,495.345,5.624,5,0.304,0.71,1.0,0.9187769858131725,0.912394626824755,0.935242615310808,0.9412822973065589,0.9269241313138237
EOS-3-55162,N#Cc1cnc(-c2cncc3nnc(-c4ccc(-c5cnc(F)nc5)nc4)n23)nc1,KPUBNMNKGAJCRV-UHFFFAOYSA-N,3,1,0.342,86,489,396.349,2.111,5,0.421,0.79,0.997,0.2940339935576725,0.4065262833253375,0.3703652936741827,0.38270166541018436,0.3634068089918443
EOS-3-55163,c1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)nc1,BAHCCVAZWHGVHY-UHFFFAOYSA-N,3,1,0.593,87,131,396.414,2.66,5,0.431,0.75,1.0,0.5485744637105064,0.42938283873620725,0.17621307655404017,0.15868514837913783,0.3282138818449729
EOS-3-55164,Cc1nnc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6cnc(F)cn6)nc5)n34)nc2)s1,KZWBRQNFEQLPAC-UHFFFAOYSA-N,3,1,0.388,80,855,499.495,2.978,6,0.334,0.65,1.0,0.4924011376876157,0.5556678774587074,0.08028065245699403,0.07462648207799329,0.3007440374203276
EOS-3-55165,N#Cc1ccc(-c2nnc3cncc(Cc4ccn(-c5ccccc5F)n4)n23)cn1,WDPBQSIEHYNRJS-UHFFFAOYSA-N,3,1,0.371,14,81,396.389,2.974,5,0.463,0.75,1.0,0.07728222877116031,0.27452710575011996,0.5803234870810774,0.6228582687958331,0.3887477725995477
EOS-3-55166,COc1c(Cl)cc(-c2ncc(F)cn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,VNDUPORESMPMSM-UHFFFAOYSA-N,3,1,0.548,73,665,498.305,4.677,5,0.333,0.66,1.0,0.9338205057912412,0.9352083476115414,0.6237663628263999,0.6779007607429237,0.7926739942430265
EOS-3-55167,COc1nc(-c2nnc3cncc(OCCc4c(F)ccc(F)c4Cl)n23)ccc1-c1nccn1C,INGSCZFQRUENDM-UHFFFAOYSA-N,3,1,0.433,49,551,497.893,4.149,5,0.312,0.62,0.999,0.652928174902337,0.5899184428757454,0.6384672058118018,0.5987766431361798,0.620022616681516
EOS-3-55168,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ncc(F)c(-c5cnccn5)n4)n23)ccc1F,IPOOJJDDJIUOPW-UHFFFAOYSA-N,3,1,0.438,80,540,499.445,2.691,6,0.337,0.6,1.0,0.49725001713384964,0.5324857789048043,0.2820402988143376,0.29676684257418956,0.4021357343567953
EOS-3-55169,N#Cc1cncc(-c2cnc(-c3cncc4nnc(-c5cccc(F)c5)n34)nc2)n1,YJYHAXKZNOQQMN-UHFFFAOYSA-N,3,1,0.429,50,261,395.361,2.716,5,0.457,0.82,1.0,0.2589353025837845,0.44735624700157633,0.4788653964772805,0.5420293331505722,0.4317965698033034
EOS-3-55170,Cc1cnc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)nc4)n23)cn1,OQRHPPDLTZKTHV-UHFFFAOYSA-N,3,1,0.477,53,828,397.402,2.321,5,0.44,0.65,0.993,0.4487183880474265,0.20849324926324447,0.14766808306490303,0.11411143855801521,0.2297477897333973
EOS-3-55171,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)nn1,BRDXSFHPTYDSTL-UHFFFAOYSA-N,3,1,0.482,75,420,397.402,2.321,5,0.44,0.65,1.0,0.37428894524021655,0.23894010006168187,0.09961620176821329,0.07264752244534302,0.1963731923788637
EOS-3-55172,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c(OC(F)F)n2)c1,ZFZRNCOCVMLIMA-UHFFFAOYSA-N,3,1,0.505,58,699,497.412,4.144,5,0.295,0.66,0.998,0.8147488177643754,0.8867195531492016,0.7911555068192722,0.764443835240902,0.8142669282434378
EOS-3-55173,FC(F)c1cnc(-c2nnc3cncc(OCc4cnc(C5CC5)nc4)n23)cn1,PXQUDUCBVUULKU-UHFFFAOYSA-N,3,1,0.398,68,806,396.361,2.765,5,0.49,0.7,0.999,0.5672246590363923,0.5009080940305668,0.11262079363991502,0.16916249742992256,0.3374790110341992
EOS-3-55174,Cc1nc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc(-c2cncc(Cl)n2)n1,HUZQAMCVUSUTMG-UHFFFAOYSA-N,3,1,0.297,33,53,500.91,3.08,6,0.369,0.68,0.999,0.45355013364402713,0.33458124871496125,0.04668974025083956,0.06370365293674182,0.22463119388664246
EOS-3-55175,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(Cc3ccc(C(F)F)cn3)n12,YFQKKQQBJXXYCV-UHFFFAOYSA-N,3,1,0.365,66,225,394.385,3.122,4,0.561,0.78,1.0,0.25599684737166745,0.18579089849907476,0.7407134534987321,0.6142056747309985,0.4491767185251182
EOS-3-55176,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cc2Cl)cc1=O,DEWKHXDXCUZTGO-UHFFFAOYSA-N,3,1,0.484,37,639,499.383,4.542,5,0.341,0.72,1.0,0.7411503666643822,0.6320848468233843,0.6058786238091974,0.6749194709067233,0.6635083270509218
EOS-3-55177,CC(C)n1cncc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1Cl,SPGSKEATCQVBAL-UHFFFAOYSA-N,3,1,0.543,26,626,494.386,5.559,5,0.276,0.71,1.0,0.7501370707970667,0.6756647933657735,0.82489205674731,0.7835566445068878,0.7585626413542595
EOS-3-55178,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(C)N(C)CC5C)c(F)c4)n23)nc1,XKKUXCVUNAOVCW-UHFFFAOYSA-N,3,1,0.283,0,782,502.554,2.517,5,0.457,0.69,0.972,0.1379874580220684,0.09819409224864642,0.11560208347611542,0.08886471112329518,0.11016208621753136
EOS-3-55179,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(F)nc5)n34)s2)cc1,IUBPMFZBDFUVMF-UHFFFAOYSA-N,3,1,0.452,96,139,398.426,4.593,5,0.415,0.75,0.999,0.2589438695086012,0.5054742649578507,0.8708022068398328,0.8882873003906517,0.6308769104242342
EOS-3-55180,CCc1cnc(Cc2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cn1,KTWJVXMNCQLFCX-UHFFFAOYSA-N,3,1,0.375,85,674,395.43,2.586,5,0.447,0.82,1.0,0.15459015831677062,0.12412617366869988,0.06964909875950928,0.06217017339455829,0.10263390103488453
EOS-3-55181,Cc1ccc(-c2noc(-c3ccc(-c4nnc5cncc(OCc6cc(Cl)ccn6)n45)cc3)n2)cc1,DCNLCEMBFLBSLV-UHFFFAOYSA-N,3,1,0.522,77,427,495.93,5.444,6,0.3,0.75,1.0,0.6210506476595161,0.6662326091426222,0.6263278733465835,0.6110530463984648,0.6311660441367966
EOS-3-55182,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nn1)N1CCOCc2ccccc21,RLAUHQNLXOJLCE-UHFFFAOYSA-N,3,1,0.336,52,229,500.469,3.758,6,0.367,0.72,0.021,0.06197313412377493,0.07884140908779384,0.22372524158727983,0.27000376944691934,0.158635888561442
EOS-3-55183,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(-c6cncn6C)cc5F)n34)ccc2F)cn1,NQTPBIFUKJRBDW-UHFFFAOYSA-N,3,1,0.448,4,247,499.485,3.845,6,0.343,0.64,1.0,0.4394489753957919,0.49630765540401617,0.6560551024604208,0.5807604002467275,0.5431430333767391
EOS-3-55184,Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5cc(C)n(C)n5)nn4)n23)nn1,SOMSJBUYOIJHCA-UHFFFAOYSA-N,3,1,0.269,53,60,398.434,1.979,5,0.452,0.58,1.0,0.05481118497704064,0.01517202385031869,0.023439106298403126,0.014760811459118634,0.027045781646220273
EOS-3-55185,Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)ccc1Cl,IFTCAGFHNWXIFT-UHFFFAOYSA-N,3,1,0.412,11,503,495.345,5.624,5,0.304,0.69,0.998,0.735144952367898,0.7510879994517168,0.877347337399767,0.9085138098828045,0.8180235247755466
EOS-3-55186,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)nc1,BNIYYNOWPNGGFC-UHFFFAOYSA-N,3,1,0.537,7,99,396.414,2.926,5,0.447,0.73,1.0,0.38111678431910084,0.2695068878075526,0.30001370707970665,0.22548146117469672,0.2940297100952642
EOS-3-55187,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccc(F)c6)cs5)n34)cn2)n1,PDSMVEUKECPBSR-UHFFFAOYSA-N,3,1,0.479,28,667,496.531,4.793,6,0.324,0.62,1.0,0.590004112123912,0.6414741964224522,0.39651154821465284,0.38928106366938525,0.5043177301076005
EOS-3-55188,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5c(C)noc5C)ncn4)n23)cc1,QJMQTKIMXZJLMD-UHFFFAOYSA-N,3,1,0.36,85,357,397.442,3.752,5,0.456,0.69,1.0,0.17078164622027278,0.11406003700911521,0.1826725378658077,0.14807072853128642,0.15389623740662053
EOS-3-55189,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Cn5cncn5)n4C)n23)nn1,TUQKQACMQATJLH-UHFFFAOYSA-N,3,1,0.231,53,105,400.406,1.37,5,0.406,0.5,0.96,0.03144061407717086,0.019798163251319306,0.018770132273319168,0.01219930093893496,0.02055205263518607
EOS-3-55190,Cc1c(F)ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)s5)n34)ccc2Cl)c1F,OGCVQDSQDVGTHK-UHFFFAOYSA-N,3,1,0.518,34,146,486.906,6.478,5,0.285,0.69,1.0,0.9683537797272291,0.9722088958947296,0.9836114728257145,0.9842539921869645,0.9771070351586594
EOS-3-55191,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5sc(F)cc5Cl)n34)c(Cl)n2)s1,SYMXSSNBIVLYSR-UHFFFAOYSA-N,3,1,0.433,58,24,494.364,5.1,5,0.314,0.61,0.991,0.6013552875059969,0.7510965663765334,0.33664587759577824,0.4828404495922144,0.5429845452676307
EOS-3-55192,Cc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccccn5)n34)c2)nc1,YEXXRCLSMGKVGL-UHFFFAOYSA-N,3,1,0.603,2,131,396.414,2.926,5,0.447,0.74,1.0,0.37658488109108357,0.30036495099719007,0.22040984168322938,0.17203241724350626,0.26734802275375236
EOS-3-55193,c1ccc(-c2cncc(-c3nnc4cncc(OCCc5cnccn5)n34)c2)nc1,WNCZFFOZQQAHQH-UHFFFAOYSA-N,3,1,0.467,87,822,396.414,2.66,5,0.431,0.75,1.0,0.5124134740593517,0.3969227606058529,0.21341923103282845,0.20537488862997738,0.3320325885820026
EOS-3-55194,Cc1cccc(COc2cncc3nnc(-c4cccc(-c5ccnn5C)c4)n23)n1,JAUQMTARDHNKSR-UHFFFAOYSA-N,3,1,0.5,4,506,397.442,3.474,5,0.452,0.69,1.0,0.26677403879103556,0.13431224727571792,0.4037677335343705,0.2967754094990062,0.27540735727503257
EOS-3-55195,N#Cc1nc(Cc2cncc3nnc(-c4ccc(-c5cn[nH]c5)nc4)n23)ccc1F,QOMXUEQIIKDMLZ-UHFFFAOYSA-N,3,1,0.354,85,290,397.377,2.573,5,0.495,0.62,1.0,0.2830169282434377,0.4293914056610239,0.5306267562195874,0.5184788568295524,0.44037848673840035
EOS-3-55196,Cc1cccc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)n1,KFCJZCKPCMIIJI-UHFFFAOYSA-N,3,1,0.466,4,464,396.414,2.926,5,0.447,0.75,1.0,0.37878658076896715,0.26951545473236926,0.29275752175998904,0.23447673223219792,0.2938840723733809
EOS-3-55197,Cc1ncc(COc2cncc3nnc(-c4cccnc4-c4cccnn4)n23)cn1,YCWZYLZSOXXYKE-UHFFFAOYSA-N,3,1,0.449,55,283,397.402,2.321,5,0.44,0.67,0.695,0.4281235007881571,0.25406072236310057,0.11854910561304914,0.0927712288396957,0.2233761394010006
EOS-3-55198,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ncccc6C)cc5Cl)n34)nc2)cn1,XVOLXXHWRVXEHM-UHFFFAOYSA-N,3,1,0.317,32,714,492.974,5.761,6,0.304,0.65,1.0,0.1434445891302858,0.2745356726749366,0.6207850729901995,0.6142142416558152,0.41324489411280924
EOS-3-55199,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5ccccn5)cn4)n23)cc1,MCEWNAANDWKGSZ-UHFFFAOYSA-N,3,1,0.273,98,465,499.502,2.687,7,0.347,0.58,1.0,0.019249880063052567,0.04183229387978891,0.08267939140566102,0.10291446782263039,0.06166900829278322
EOS-3-55200,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5ccccn5)nn4)n23)cc1,CWOIDJVNENJUGJ-UHFFFAOYSA-N,3,1,0.284,98,465,499.502,2.686,7,0.347,0.58,1.0,0.019258446987869233,0.013792748954835172,0.07831025974916044,0.10292303474744706,0.05357112260982798
EOS-3-55201,CCOCc1nn(CC)cc1-c1cncc2nnc(-c3ccc(Cl)c(C)c3)n12,GQEVPUBXQIZVOZ-UHFFFAOYSA-N,3,1,0.319,78,792,396.882,4.173,4,0.489,0.74,1.0,0.09339661435131245,0.24907477211979986,0.31082516619834144,0.3440048660132959,0.2493253546706874
EOS-3-55202,c1ccc(CCOc2cncc3nnc(-c4cnnc(-c5cnccn5)c4)n23)cc1,GMEWVFATICMZQW-UHFFFAOYSA-N,3,1,0.635,65,73,396.414,2.66,5,0.431,0.75,1.0,0.5958210540744294,0.4065348502501542,0.24904050442053322,0.2552429579878007,0.3766598416832294
EOS-3-55203,Fc1ccc(OCc2cc(OCc3cncc4nnc(-c5cnc(Cl)nc5)n34)ccc2Cl)nc1,XZWNBIKNWGRCOG-UHFFFAOYSA-N,3,1,0.385,73,767,498.305,4.58,5,0.301,0.72,1.0,0.7442087588239326,0.8136351175382085,0.8467891165787129,0.8348810910835447,0.8098785210060997
EOS-3-55204,Cc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3n[nH]c(-c4cccnn4)n3)n12,LEZKJYITWPSEDM-UHFFFAOYSA-N,3,1,0.402,6,826,495.482,2.892,6,0.351,0.46,0.729,0.6210592145843328,0.5465869371530395,0.0717222945651429,0.09083510383112878,0.332550887533411
EOS-3-55205,Cn1cc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6ccc(-c7cccnn7)n6)n5)n34)nc2)nn1,APQYDKNPYHBGQZ-UHFFFAOYSA-N,3,1,0.239,70,887,499.502,2.687,7,0.347,0.59,0.438,0.0002484408196833665,0.0035467068741004727,0.09459598382564595,0.09471592077307929,0.04827676307312727
EOS-3-55206,Cc1cnc(-c2nnc3cncc(OCc4ncnc(-c5ccccc5)n4)n23)cn1,DCVDOCXBNCFAGA-UHFFFAOYSA-N,3,1,0.402,7,839,397.402,2.321,5,0.44,0.65,1.0,0.432381262422041,0.32976663696799396,0.0557792474813241,0.04960249468850662,0.21688241038996645
EOS-3-55207,Cc1ncc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)c(F)c5)c4)n23)c(Cl)n1,WSLISBSNCKVZNT-UHFFFAOYSA-N,3,1,0.551,75,429,496.333,5.019,5,0.305,0.62,1.0,0.9521794256733603,0.935216914536358,0.7689500376944692,0.8169505174422589,0.8683242238366116
EOS-3-55208,c1cnnc(-c2ccc(-c3nnc4cncc(-c5nnccc5-c5nnc(-c6cnccn6)o5)n34)cc2)c1,SZVPTVDSGIQOAK-UHFFFAOYSA-N,3,1,0.288,38,733,498.47,3.212,7,0.341,0.55,0.999,0.20453532999794394,0.12043382907271606,0.12678192036186692,0.16136659584675486,0.15327941881982043
EOS-3-55209,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnc(-c6cnccn6)n5)[nH]4)n23)cc1,JHNCTYVFMUYLSP-UHFFFAOYSA-N,3,1,0.264,42,167,499.502,2.891,7,0.374,0.57,1.0,0.0837759577821945,0.04184086080460558,0.11262936056473169,0.11180693578233157,0.08751327873346583
EOS-3-55210,Cc1ccc(COc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)nn1,NLMYHZXCCDBTHV-UHFFFAOYSA-N,3,1,0.398,53,587,397.402,2.321,5,0.44,0.62,1.0,0.3096857651977246,0.17722397368240697,0.17941710643547393,0.14579192653005277,0.20302969296141457
EOS-3-55211,COc1cc(-c2nnc3cncc(OCc4cc(-c5cncc(F)c5)ncc4Cl)n23)ccc1Cl,PVALHOBSQCGOSA-UHFFFAOYSA-N,3,1,0.511,59,67,497.317,5.282,5,0.315,0.72,1.0,0.9645928997327119,0.9546038653964772,0.9314474676170242,0.9257847303132067,0.944107240764855
EOS-3-55212,Cc1ccc(Oc2cncc3nnc(-c4cc(-c5cnc(C)cn5)ccn4)n23)cn1,XNVCNOXSUSVBKH-UHFFFAOYSA-N,3,1,0.348,7,720,396.414,3.447,5,0.455,0.75,1.0,0.38803029264615174,0.18579946542389145,0.2963813309574395,0.20237646494414366,0.26814688849290663
EOS-3-55213,Fc1c(Cl)cc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1-c1cccnc1Cl,YKFVQNXHHBCDSH-UHFFFAOYSA-N,3,1,0.558,35,919,486.359,5.982,5,0.276,0.53,1.0,0.9159841683229388,0.9274210129531903,0.9280978000137071,0.9436125008566925,0.9287788705366322
EOS-3-55214,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)nc2F)nnc1C,SVQLQUQCPWWZIA-UHFFFAOYSA-N,3,1,0.378,46,223,497.321,4.68,5,0.323,0.62,0.999,0.6439243369200192,0.6466743197861695,0.6351946405318347,0.6573315742581043,0.6457812178740319
EOS-3-55215,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)nn1,IJIACNSUUNHXHU-UHFFFAOYSA-N,3,1,0.482,53,587,397.402,2.321,5,0.44,0.64,0.999,0.3443132753066959,0.24908333904461655,0.13558015214858474,0.10707799328353095,0.20901368994585706
EOS-3-55216,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cnnc(-c5ccnc(Cl)c5)c4)n23)cn1,SHLOVNTYAHXRJC-UHFFFAOYSA-N,3,1,0.392,6,843,496.922,3.671,6,0.318,0.55,0.944,0.5511102734562402,0.5143581659927352,0.37434891371393325,0.3601278185182647,0.44998629292029335
EOS-3-55217,Cc1nc(-c2ccc(-c3nnc4cncc(-c5cnn(C6CC6)c5)n34)cn2)cn1C,BUXWVEGJYORPFD-UHFFFAOYSA-N,3,1,0.276,50,974,397.446,3.094,6,0.463,0.67,1.0,0.05840929340004112,0.07884997601261051,0.033565211431704475,0.05621616064697416,0.05676016037283256
EOS-3-55218,Cc1cc(-c2cncc(-c3nnc4cncc(COc5cccnc5)n34)c2)ncn1,ZNYSBFZJBAMITA-UHFFFAOYSA-N,3,1,0.351,2,767,396.414,2.926,5,0.447,0.75,1.0,0.2856298403125214,0.13432081420053457,0.3479542183537797,0.270012336371736,0.25947930230964295
EOS-3-55219,c1ccc(-c2cc(-c3nnc4cncc(OCCc5cnccn5)n34)ccn2)cc1,CWLURYVCNYFXDO-UHFFFAOYSA-N,3,1,0.545,11,846,395.426,3.265,5,0.436,0.85,1.0,0.6210677815091494,0.43842951134260844,0.30723562470015764,0.31868960318004247,0.4213556301829895
EOS-3-55220,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(OC(F)F)nc5)nc4)n23)nn1,GRZPDEIFBGDOJX-UHFFFAOYSA-N,3,1,0.312,99,14,500.433,2.497,6,0.332,0.69,0.718,0.3395072304845453,0.42052463847577276,0.24904907134534987,0.26726235350558564,0.3190858234528134
EOS-3-55221,Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)nc1,PJBHJAVTQZMFRM-UHFFFAOYSA-N,3,1,0.438,7,435,397.402,2.321,5,0.44,0.62,1.0,0.3945582893564526,0.2695240216571859,0.17622164347885683,0.1296604071002673,0.24249109039819064
EOS-3-55222,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccn4)n23)cn1,PSJSSLUTVQLUQC-UHFFFAOYSA-N,3,1,0.482,51,435,397.402,2.321,5,0.44,0.62,1.0,0.36262936056473166,0.26416969364676857,0.24195565759714893,0.1746024946885066,0.2608393016242889
EOS-3-55223,Fc1ccc(-c2nnc3cncc(-c4cncnc4-n4cncn4)n23)c(COc2ccccc2Cl)c1,HHLLPKLZJVLADE-UHFFFAOYSA-N,3,1,0.306,10,615,499.897,4.201,6,0.335,0.76,1.0,0.14345315605510245,0.3922366527311356,0.6832722226029745,0.7333287643067644,0.4880726989239942
EOS-3-55224,c1cnc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)nc1,QHCXEOJLVABWSO-UHFFFAOYSA-N,3,1,0.545,65,131,396.414,2.66,5,0.431,0.73,1.0,0.6351946405318347,0.42939997258584056,0.23478514152559798,0.2114145706257282,0.37769858131725037
EOS-3-55225,Cc1ccc(-c2nnc3cncc(OCc4cnc(C#N)c(F)c4Cl)n23)nn1,RHYDGQKMGTXPJG-UHFFFAOYSA-N,3,1,0.411,68,244,396.773,2.528,4,0.516,0.61,1.0,0.6624117606743883,0.6807364128572407,0.5340106915221712,0.5482489205674731,0.6063519464053183
EOS-3-55226,Cc1ccc(COc2cncc3nnc(-c4cnnc(-c5ccccn5)c4)n23)nn1,AUVCDBLCROETGI-UHFFFAOYSA-N,3,1,0.477,53,587,397.402,2.321,5,0.44,0.64,1.0,0.34672058118017957,0.2490919059694332,0.11263792748954835,0.09664347885682956,0.20127347337399767
EOS-3-55227,N#Cc1cnc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)c(F)c4)n23)nc1,BKBGIRDVBKCINM-UHFFFAOYSA-N,3,1,0.35,50,261,395.361,2.716,5,0.457,0.8,1.0,0.3197947364813926,0.4691933383592626,0.632221917620451,0.6779093276677404,0.5247798300322117
EOS-3-55228,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3ccc(Cl)c(Cl)n3)n12,WNCSXYIYCDCHDE-UHFFFAOYSA-N,3,1,0.464,58,456,497.346,3.919,5,0.312,0.58,0.97,0.5958296209992461,0.5372147214036049,0.36652731135631555,0.3505414296484134,0.46252827085189496
EOS-3-55229,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nncc6ccccc56)nn4)n23)cc1,RTHPVGMDYFKIKE-UHFFFAOYSA-N,3,1,0.384,67,465,499.498,3.779,7,0.344,0.65,1.0,0.47260297443629634,0.33458981563977797,0.22041840860804607,0.24037934343088205,0.3169976355287506
EOS-3-55230,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)c(F)c1,PQRMESWUFMPPPV-UHFFFAOYSA-N,3,1,0.547,37,908,499.337,4.532,5,0.325,0.71,1.0,0.7678877390172024,0.7936399150161059,0.5836645877595779,0.6838976081145912,0.7072724624768693
EOS-3-55231,Cc1cccc(COc2cncc3nnc(-c4cnnc(-c5cnccn5)c4)n23)n1,IHZFZRMOARALGH-UHFFFAOYSA-N,3,1,0.455,7,464,397.402,2.321,5,0.44,0.64,1.0,0.33951579740936194,0.23348296895346446,0.15689466109245426,0.12337228428483311,0.21331642793502845
EOS-3-55232,CCc1nc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cncn5C)cc4Cl)n23)n1C,DHBJGOXCBWSTIJ-UHFFFAOYSA-N,3,1,0.495,26,460,497.39,4.416,5,0.331,0.63,0.999,0.4535587005688438,0.5279967103008704,0.2065142896305942,0.29991947090672333,0.371997292851758
EOS-3-55233,N=c1nc(-c2cncc(-c3cncc4nnc(-c5ccc(C(=O)O)nc5)n34)n2)[nH]o1,FVAFKGOOWYWVBB-UHFFFAOYSA-N,3,1,0.247,50,845,402.334,0.804,5,0.388,0.58,0.57,0.09821979302309643,0.0489942430265232,0.031055102460420807,0.011762387773284902,0.047507881570831335
EOS-3-55234,Cc1cnc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccn4)n23)nc1,PNAFZFMDEKURIW-UHFFFAOYSA-N,3,1,0.43,7,435,397.402,2.321,5,0.44,0.62,1.0,0.2992598176958399,0.18999725858405866,0.1476766499897197,0.1210592145843328,0.18949823521348774
EOS-3-55235,Cc1ncccc1OC(C)c1ncc(-c2nnc3cncc(OCCc4ccsc4)n23)cc1Cl,OUJROSKZEREICG-UHFFFAOYSA-N,3,1,0.475,65,657,492.992,5.366,5,0.288,0.6,1.0,0.6714927009800562,0.7005517099581934,0.5997361387156467,0.4678311973134124,0.6099029367418272
EOS-3-55236,CCn1nc(C)nc1-c1cc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)n5)cc4)n23)n(C)n1,ZQCXKWOTWYCWLU-UHFFFAOYSA-N,3,1,0.281,98,882,497.954,3.889,6,0.329,0.63,1.0,0.14598039887601946,0.16463916112672194,0.05187272976492358,0.07655404016174354,0.10976158248235213
EOS-3-55237,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnn5-c5cnccn5)nn4)n23)nc1,OPBRBRUXSMHMJZ-UHFFFAOYSA-N,3,1,0.24,86,944,499.502,2.687,7,0.347,0.59,0.802,0.010862860667534781,0.010605852923034748,0.08772531012267837,0.09084367075594545,0.050009423617298335
EOS-3-55238,Clc1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1csc(-n2cccc2)n1,WYAKMYMJBAZKBA-UHFFFAOYSA-N,3,1,0.484,97,247,491.989,5.394,6,0.31,0.57,1.0,0.47501884723459664,0.584975327256528,0.4509372215749435,0.4981838119388664,0.5022788020012336
EOS-3-55239,CCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)c(F)cc1-c1csc(C)n1,NFBORPISHXCVRR-UHFFFAOYSA-N,3,1,0.418,31,690,495.971,4.99,5,0.314,0.62,1.0,0.5613820163114248,0.589927009800562,0.27450140497566994,0.3186981701048592,0.436127150298129
EOS-3-55240,Cc1ncc(-c2nc(C)ncc2-c2nnc3cncc(Oc4ccccc4)n23)cn1,CHYOZPXKGQNIHA-UHFFFAOYSA-N,3,1,0.548,82,282,396.414,3.447,5,0.455,0.75,1.0,0.3765934480159002,0.15319374957165377,0.17306901514632309,0.14580049345486945,0.21216417654718664
EOS-3-55241,c1cnnc(-c2cncc(-c3nnc4cncc(OCCc5cncnc5)n34)c2)c1,BEYFAYZWXVZXTB-UHFFFAOYSA-N,3,1,0.459,65,361,397.402,2.055,5,0.424,0.64,1.0,0.570197381947776,0.4065434171749709,0.19936947433349325,0.18842951134260846,0.34113494619971213
EOS-3-55242,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)ccn2)ccc1Cl,MTFJFVRJFRDVBA-UHFFFAOYSA-N,3,1,0.495,11,490,495.345,5.624,5,0.304,0.67,1.0,0.8943612500856692,0.8991844287574532,0.8850233020355014,0.9096275101089712,0.8970491227468989
EOS-3-55243,Cc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc(-c2ccc(F)c(Cl)c2)n1,UIQSPIUIDWGGNL-UHFFFAOYSA-N,3,1,0.516,88,490,495.345,5.624,5,0.304,0.68,1.0,0.9214412994311562,0.9255191556438901,0.8787266122952505,0.9039647728051539,0.9074129600438626
EOS-3-55244,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)n1,DVWYCHCIBRTSKO-UHFFFAOYSA-N,3,1,0.477,7,464,396.414,2.926,5,0.447,0.75,1.0,0.4371359056952916,0.387610513330135,0.25975772736618463,0.18843807826742512,0.31823555616475907
EOS-3-55245,c1cc(CCOc2cncc3nnc(-c4cc(-c5ccnnc5)ccn4)n23)ncn1,QXPNFMLZJZVWHV-UHFFFAOYSA-N,3,1,0.438,18,367,397.402,2.055,5,0.424,0.62,1.0,0.4140394763895552,0.23349153587828114,0.18585086697279143,0.16917106435473922,0.25063823589884177
EOS-3-55246,Fc1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4-c4ccccc4)n23)cc1-c1cccnn1,UMDZFBLKNXFVIS-UHFFFAOYSA-N,3,1,0.333,83,994,492.945,6.299,6,0.282,0.79,1.0,0.4303594681653074,0.6270988965800837,0.9172520731958056,0.9452316496470426,0.7299855218970598
EOS-3-55247,CCc1cncc(-c2cnnc(-c3nnc4cncc(Cc5ccnnc5)n34)n2)n1,TZLQESLRWBYQKX-UHFFFAOYSA-N,3,1,0.264,85,976,397.406,1.376,5,0.428,0.59,0.791,0.0817027619765609,0.019806730176135975,0.014323898293468576,0.015257693098485368,0.032772770886162705
EOS-3-55248,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccnc(C)c5)nc4)n23)c(C)n1,KVVQPNFWCDWPNS-UHFFFAOYSA-N,3,1,0.321,82,974,396.458,3.749,5,0.46,0.76,0.999,0.14909019258446987,0.06445754232060859,0.1993780412583099,0.15074360907408677,0.14091734630936878
EOS-3-55249,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)nc1)N1CCn2cncc2C1,OVOCZSBCGGIXGW-UHFFFAOYSA-N,3,1,0.27,70,14,501.514,2.558,7,0.357,0.69,0.865,0.019267013912685902,0.02205983140291961,0.013064560345418409,0.029650126790487286,0.0210103831128778
EOS-3-55250,Cc1cccc(-c2nnc3cncc(OCc4nccc(-c5ccccn5)n4)n23)n1,KWRIITNVIBFWLW-UHFFFAOYSA-N,3,1,0.471,24,786,396.414,2.926,5,0.447,0.71,1.0,0.3857172229456514,0.22877116030429717,0.11561065040093207,0.09472448769789596,0.20620588033719417
EOS-3-55251,Cc1cccc(COc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)n1,VCZITVXCJXULFZ-UHFFFAOYSA-N,3,1,0.449,53,670,396.414,2.926,5,0.447,0.72,1.0,0.31241861421424166,0.18148173531629086,0.20999246110616132,0.18294667945994106,0.22170987252415872
EOS-3-55252,Cc1ccnc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c1,GDUDACXDNVSXQH-UHFFFAOYSA-N,3,1,0.477,2,875,396.414,2.926,5,0.447,0.72,1.0,0.3673069015146323,0.29029881433760535,0.3333047769172778,0.27601775066822015,0.3167320608594339
EOS-3-55253,Cc1cc(-c2nnc3cncc(-c4c(-c5ccc(C)nn5)nc(C)n4C)n23)ccn1,GWRMUJAJBBWDBJ-UHFFFAOYSA-N,3,1,0.291,50,974,397.446,2.969,5,0.461,0.66,0.709,0.12131622232883284,0.06446610924542526,0.0482489205674731,0.03676924131313824,0.06770012336371736
EOS-3-55254,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4cccc([N+](=O)[O-])c4)n23)cn1,HYLVYGATMNINQH-UHFFFAOYSA-N,3,1,0.378,82,478,398.386,3.162,5,0.337,0.79,1.0,0.1213247892536495,0.009646357343567953,0.23124700157631417,0.10079843739291344,0.11575414639161126
EOS-3-55255,FC(F)(F)c1ccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)c2)nn1,DXCYYCYBKSWWRJ-UHFFFAOYSA-N,3,1,0.469,87,838,499.844,3.727,5,0.344,0.64,1.0,0.6683400726475225,0.8020012336371736,0.7952419299568227,0.7034130628469605,0.7422490747721199
EOS-3-55256,Cc1cnc(-c2nc(-c3cncc4nnc(-c5cc(F)c(-c6cccc(F)c6)cn5)n34)ccc2F)cn1,XSVYWZJEBGRLRP-UHFFFAOYSA-N,3,1,0.327,32,572,496.456,5.098,6,0.335,0.57,0.986,0.32209067233225963,0.4560174079912275,0.7869748475087383,0.822724624768693,0.5969518881502296
EOS-3-55257,N#Cc1ccc(-c2nnc3cncc(CCc4ccc(F)c(Cl)c4)n23)cc1F,KEBWBVMWKBMCIZ-UHFFFAOYSA-N,3,1,0.548,23,646,395.8,4.38,4,0.514,0.79,1.0,0.6683486395723391,0.9143650195325885,0.9775460900555136,0.9852734562401481,0.8863833013501473
EOS-3-55258,Fc1cccc(Br)c1COc1cncc2nnc(-c3ccc(-c4nn[nH]n4)cc3Cl)n12,YNLMJIRYPCPJNR-UHFFFAOYSA-N,3,1,0.5,34,6,501.707,4.105,5,0.386,0.74,1.0,0.8253461037625934,0.9083339044616544,0.7781766157220205,0.8348896580083613,0.8366865704886575
EOS-3-55259,Cc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(F)cc5)n34)nc2)c1,HLNFJLMRRNGESX-UHFFFAOYSA-N,3,1,0.5,57,417,397.413,5.093,5,0.422,0.87,1.0,0.9117863751627716,0.8761051333013501,0.8787351792200672,0.8618754711808649,0.8821255397162634
EOS-3-55260,Fc1cncc(-c2nnc3cncc(-c4cnn(C5CCCCC5(F)F)c4)n23)c1,KSYPVCRXHQMNBT-UHFFFAOYSA-N,3,1,0.299,78,792,399.38,3.939,5,0.522,0.55,0.996,0.10327427866493044,0.21333356178466178,0.42549345486944007,0.677917894592557,0.3550047974778973
EOS-3-55261,Fc1ccc(-c2cc(-c3nnc4cncc(COCc5ccc(-c6ccncc6)cn5)n34)cs2)nc1,UBNNKTUNOHBZML-UHFFFAOYSA-N,3,1,0.402,28,414,495.543,5.228,6,0.3,0.63,1.0,0.35817455966006445,0.2954732369268727,0.6696336782948393,0.6518915769995203,0.4937932629703242
EOS-3-55262,Cc1nc(-c2cnnc(-c3cncc4nnc(-c5ccc(C(N)=O)s5)n34)c2)n(CCC(F)(F)F)n1,HYALNEAKBXYTEQ-UHFFFAOYSA-N,3,1,0.27,50,542,500.47,2.928,5,0.375,0.63,0.008,0.08611472825714482,0.14934720032896992,0.109965046946748,0.10938249605921459,0.11370236789801932
EOS-3-55263,Cn1cc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(=O)NCc6cccnc6)cc5)n34)cn2)cn1,KHMFWVHTPIRXHZ-UHFFFAOYSA-N,3,1,0.376,14,357,502.542,2.898,6,0.353,0.78,1.0,0.1354345144267014,0.07185079843739291,0.24905763827016655,0.1458090603796861,0.15053800287848673
EOS-3-55264,Cc1cnnc(-c2cc(C(F)(F)F)cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,HTSYMDQUUHDCGS-UHFFFAOYSA-N,3,1,0.553,27,51,498.856,4.598,5,0.346,0.64,1.0,0.8906603385648687,0.957319580563361,0.9105441710643547,0.8730895757658831,0.9079034164896169
EOS-3-55265,Cc1nc(=N)nc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc(C(F)F)c2)[nH]1,FNIMNOFFBJYVTN-UHFFFAOYSA-N,3,1,0.398,27,343,496.869,3.324,5,0.364,0.56,0.989,0.4698701254197793,0.48683263655678155,0.6087485436227812,0.5184874237543692,0.5209846823384279
EOS-3-55266,Cc1ccc(-c2nnc3cncc(C4CCC(c5ccc(F)c(Cl)c5)C4)n23)cc1,JKNHHLXMYUZGCL-UHFFFAOYSA-N,3,1,0.444,0,646,406.892,5.944,5,0.422,0.52,1.0,0.5485830306353231,0.7282999794393804,0.9210129531903228,0.9574052498115276,0.7888253032691385
EOS-3-55267,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nncc(-c6c(F)cccc6F)n5)n34)cc2)nn1,SETRWQUZSMCNEE-UHFFFAOYSA-N,3,1,0.441,71,893,498.457,3.296,6,0.34,0.54,1.0,0.5754146391611267,0.555676444383524,0.4288688232472072,0.46153450757316156,0.5053736035912549
EOS-3-55268,Cn1cnc(-c2ccc(Cl)c(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c2F)n1,ZCAFOZXZOWYKFS-UHFFFAOYSA-N,3,1,0.402,52,916,502.941,3.862,6,0.378,0.81,1.0,0.2045438969227606,0.3540967034473305,0.3220050030840929,0.42366013295867316,0.3260764341032143
EOS-3-55269,Cc1cc(-c2ccnc(-c3nnc4cncc(OCCc5cc(Cl)nc(Cl)c5)n34)c2)ccc1F,CFZWJLXLEZUUSC-UHFFFAOYSA-N,3,1,0.483,11,384,495.345,5.624,5,0.285,0.72,1.0,0.8350438626550614,0.8214567198958262,0.9012661914879035,0.9140394763895552,0.8679515626070866
EOS-3-55270,COc1cc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5cccc(F)c5)cn4)n23)ccc1Cl,LJVBQPVNKQLTDX-UHFFFAOYSA-N,3,1,0.355,3,783,499.897,4.297,6,0.345,0.69,1.0,0.1405147008429854,0.4913816736344322,0.6178037831539991,0.6808392159550408,0.48263484339661433
EOS-3-55271,O=C(c1ccc(F)nc1)c1ccc(-c2cncc3nnc(-c4cncnc4)n23)nc1,DRVSTRZCDPKUMT-UHFFFAOYSA-N,3,1,0.321,50,155,398.361,2.408,5,0.335,0.73,0.966,0.21539819066547872,0.2591237749297512,0.4401771640052087,0.42698409978754026,0.3354208073469947
EOS-3-55272,CCn1nc(C)cc1-c1cnc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(Cl)c1,VYENSUMXZCZPII-UHFFFAOYSA-N,3,1,0.438,27,69,496.909,4.943,5,0.315,0.69,1.0,0.4800047974778973,0.5556850113083408,0.6293262970324173,0.5613820163114248,0.55659953053252
EOS-3-55273,Cn1nc(C(F)(F)F)nc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)n1,NSXRIKKBWIJROT-UHFFFAOYSA-N,3,1,0.312,38,193,499.46,4.73,6,0.346,0.68,1.0,0.18499417449112465,0.27973579603865395,0.672323692687273,0.5898156397779453,0.4317173257487492
EOS-3-55274,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(Cl)n4)n23)cc1,MQGVKOLAJLFYKE-UHFFFAOYSA-N,3,1,0.366,63,437,392.81,2.189,5,0.566,0.9,1.0,0.22082105407442945,0.17723254060722363,0.04669830717565623,0.10293160167226373,0.13692087588239327
EOS-3-55275,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cn1,UXHBUJKZEBXEAS-UHFFFAOYSA-N,3,1,0.681,16,8,396.37,2.687,5,0.44,0.75,1.0,0.7351535192927147,0.4963162223288328,0.4958964430128161,0.40415324515112055,0.532879857446371
EOS-3-55276,Cc1cc(-c2cc(Cl)c(F)c(CCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)ccn1,CDGLZWOVWAUAOO-UHFFFAOYSA-N,3,1,0.373,85,81,495.896,5.467,5,0.311,0.66,0.998,0.5229079569597698,0.6906140771708588,0.8637173600164485,0.8481855253238297,0.7313562298677267
EOS-3-55277,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccn5C)cc4)n23)cc1,OQRKCPPKIPOWCG-UHFFFAOYSA-N,3,1,0.581,89,230,396.454,4.079,5,0.448,0.78,1.0,0.7046724007950106,0.3829329723802344,0.6237749297512165,0.5184959906791858,0.5574690734014118
EOS-3-55278,Clc1ccc(-c2ccc(-c3nnc4cncc(-c5nncc(-c6ccccc6Cl)n5)n34)cn2)nn1,MUFPMSDKSAVOLG-UHFFFAOYSA-N,3,1,0.349,10,541,499.325,4.469,6,0.346,0.62,0.168,0.2319237886368309,0.41142656432047153,0.41796312795558904,0.6079775203892811,0.4173227503255431
EOS-3-55279,Fc1cc(-c2cc(COc3cncc4nnc(-c5cccc(-c6cccc(F)n6)c5)n34)ncn2)ccn1,ILMBLJDPHGOJOJ-UHFFFAOYSA-N,3,1,0.454,28,667,494.465,4.563,6,0.311,0.46,1.0,0.5282622849701871,0.5796981015694607,0.7641868274964019,0.7305273798917141,0.650668648481941
EOS-3-55280,CCc1nc(-c2nnc3cncc(OCCc4ccnc(C(F)(F)F)n4)n23)ccc1-c1cc(C)no1,WVUXBGUJGQMLCH-UHFFFAOYSA-N,3,1,0.426,31,690,496.453,4.142,5,0.328,0.53,0.999,0.5148721814817353,0.5416866561579056,0.4255020217942567,0.23756082516619834,0.42990542115002395
EOS-3-55281,Cc1cccc(CCOc2cncc3nnc(-c4ncc(-c5cccnc5)[nH]4)n23)n1,VHNHZAYWOZIUAU-UHFFFAOYSA-N,3,1,0.438,87,796,398.43,2.901,5,0.469,0.57,0.969,0.4210215201151395,0.18149030224110754,0.16960797752038928,0.1458176273045028,0.22948435679528476
EOS-3-55282,Cc1nc(-c2nc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2F)cs1,GIJKWYIETMPQSY-UHFFFAOYSA-N,3,1,0.455,89,398,501.547,4.229,6,0.356,0.79,0.995,0.46030943732437807,0.2797443629634706,0.16961654444520594,0.17730964293057364,0.2717449969159071
EOS-3-55283,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5F)n34)ccc2F)cn1,NOHKJPFCGMEFTI-UHFFFAOYSA-N,3,1,0.5,89,623,501.497,3.941,6,0.363,0.74,1.0,0.46744568569666234,0.3156740456445754,0.6237834966760332,0.6228668357206497,0.5074425159344802
EOS-3-55284,Cc1cc(-c2nnc3cncc(OCc4cncc(-c5cccc(C(F)(F)F)n5)n4)n23)ccc1Cl,UMWMBGXGVKCGQO-UHFFFAOYSA-N,3,1,0.453,27,343,497.868,5.203,5,0.329,0.69,1.0,0.835052429579878,0.9304537043382908,0.9486841203481599,0.9004266328558701,0.9036542217805497
EOS-3-55285,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-n5cc(-c6cncnc6)nn5)c(F)c4)n23)nn1,QVQPJZFPMHEAPX-UHFFFAOYSA-N,3,1,0.423,71,132,499.445,2.519,6,0.322,0.61,0.999,0.41866561579055583,0.3876190802549517,0.33331334384209443,0.347251730518813,0.37171244260160374
EOS-3-55286,Clc1nc(-c2cnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)nc2)cs1,QQIWJVRKAHFGLM-UHFFFAOYSA-N,3,1,0.44,28,297,499.947,4.394,6,0.328,0.78,1.0,0.5840586663011446,0.6516945377287369,0.2745099719004866,0.28498732095127133,0.4488126242204098
EOS-3-55287,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccnn5)cc4)n23)cn1,SAPRZXTYALVAGM-UHFFFAOYSA-N,3,1,0.543,72,909,395.426,3.531,5,0.449,0.82,1.0,0.6210763484339662,0.4515369063121102,0.527362757864437,0.44583133438420947,0.5114518367486807
EOS-3-55288,Cc1cnc(COc2cncc3nnc(-c4cc(-c5ccccc5)ncn4)n23)cn1,KTSBAEQTLPMSAP-UHFFFAOYSA-N,3,1,0.402,44,238,396.414,2.926,5,0.447,0.71,0.999,0.34899081625659656,0.20365293674182716,0.19587416900829277,0.1746110616133233,0.23078224590500995
EOS-3-55289,Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cn(C)nc5C)ncn4)n23)cc1,SNLCEZPXBPSCQU-UHFFFAOYSA-N,3,1,0.375,85,357,396.458,3.189,5,0.464,0.71,1.0,0.12698752655746692,0.06805565074360907,0.2237338085120965,0.17461962853813995,0.14834915358782813
EOS-3-55290,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cc(Cl)n5)n34)cc2F)n1,GNWTUOIWBHINNA-UHFFFAOYSA-N,3,1,0.5,37,563,497.321,4.414,5,0.318,0.57,1.0,0.9117949420875883,0.9409481872387088,0.580332054005894,0.6633798231786718,0.7741137516277157
EOS-3-55291,Cc1cc(-c2c[nH]c(-c3nnc4cncc(OCCc5ccccc5)n34)c2)ncn1,CYTLRJXQLLVHPS-UHFFFAOYSA-N,3,1,0.536,19,54,397.442,3.506,5,0.471,0.68,1.0,0.4394575423206086,0.09820265917346309,0.42887739017202386,0.36681001987526557,0.3333369028853403
EOS-3-55292,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccon5)cn4)n23)cn1,QHZGWJHUQKPJKB-UHFFFAOYSA-N,3,1,0.512,46,348,396.37,2.687,5,0.44,0.74,1.0,0.509851963539168,0.3734579535329998,0.45815057227057776,0.37964327325063396,0.43027594064834485
EOS-3-55293,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnn(C6CC6)c5)n34)cc2)ccn1,RQRNWFVRCZHVIE-UHFFFAOYSA-N,3,1,0.325,61,519,397.417,4.191,6,0.425,0.76,1.0,0.12424611061613323,0.26953258858200263,0.44735624700157633,0.6202624905763827,0.3653493591940237
EOS-3-55294,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(OCCF)cn4)n23)cc1,UZZXXUMVBWXRJU-UHFFFAOYSA-N,3,1,0.361,74,437,393.382,1.956,4,0.533,0.89,1.0,0.3834298540196011,0.1858080323487081,0.18268110479062435,0.1029401685970804,0.2137147899390035
EOS-3-55295,Cn1c(C#N)nnc1-c1cc(COc2cncc3nnc(-c4ccc(C(=O)NCCF)cn4)n23)ncn1,NVAZEYRLYIXVJR-UHFFFAOYSA-N,3,1,0.368,33,53,500.458,0.922,5,0.321,0.66,0.752,0.2319323555616476,0.09186313480912892,0.01963539167980262,0.01032314440408471,0.08843850661366595
EOS-3-55296,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5cc(-c6ncnn6C)ccc5Cl)n34)cc2)n1,GNUDRVRVUIEHHV-UHFFFAOYSA-N,3,1,0.478,67,722,497.95,4.741,6,0.339,0.68,1.0,0.43036803509012406,0.5607223631005415,0.4074857789048043,0.3922709204304023,0.44771177438146803
EOS-3-55297,Cc1nc(-c2ccc(Cl)cn2)c(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)n1C,ZUABYSLMAMSTGZ-UHFFFAOYSA-N,3,1,0.325,38,635,497.925,4.812,6,0.344,0.62,1.0,0.30453704338290727,0.39693132753066956,0.3817593036803509,0.46454149818381196,0.38694229319443496
EOS-3-55298,Cc1ccnc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)n1,QTVNZZXQXRCTNU-UHFFFAOYSA-N,3,1,0.444,51,969,396.414,2.926,5,0.447,0.68,1.0,0.4257076279898568,0.36378589541498185,0.27451853882530325,0.2316667808923309,0.3239197107806182
EOS-3-55299,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cccc(F)c4)n23)cc1F,VMHMCGABNPNVKY-UHFFFAOYSA-N,3,1,0.479,48,646,393.397,3.214,4,0.565,0.88,1.0,0.4096960455075046,0.43409464738537457,0.7095983825645946,0.6868189294770749,0.5600520012336372
EOS-3-55300,Cc1cccnc1-n1cc(-c2cncc3nnc(-c4ccc(-c5cnc(OC(F)F)n5C)cc4)n23)cn1,KAEXFGIBWGAGIX-UHFFFAOYSA-N,3,1,0.327,42,150,499.485,4.349,6,0.336,0.71,1.0,0.046826811047906244,0.24910047289424989,0.5803406209307107,0.48284901651703105,0.3397792303474745
EOS-3-55301,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)nc1,PIYVCMDFLLMYOP-UHFFFAOYSA-N,3,1,0.323,63,108,392.81,2.189,5,0.566,0.92,1.0,0.15183160852580357,0.18581659927352479,0.028759166609553834,0.08521520115139469,0.11290564389006923
EOS-3-55302,c1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)nc1,USVZXVBSPCOFOT-UHFFFAOYSA-N,3,1,0.461,53,873,397.402,2.055,5,0.424,0.61,1.0,0.5098605304639846,0.2797529298882873,0.14472962785278595,0.15075217599890342,0.2712738160509903
EOS-3-55303,CCn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(C)nc(C)c4F)n23)cc(C(F)F)c1,IKTBOLYVVHXLCI-UHFFFAOYSA-N,3,1,0.449,26,448,493.493,5.342,5,0.304,0.55,1.0,0.5098690973888013,0.45602597491604413,0.8813566582139675,0.7618737577959016,0.6522813720786786
EOS-3-55304,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccccc6Cl)cc5)n34)nc2)n1,FZOVUJPUFAKRKB-UHFFFAOYSA-N,3,1,0.409,41,285,493.958,6.008,6,0.292,0.78,1.0,0.6410629840312522,0.6135545884449318,0.7045781646220273,0.7007830169282434,0.6649946885066136
EOS-3-55305,Cn1nc(-c2cccnn2)cc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5ccco5)cn4)n23)n1,BTEZLUYYVRZPSY-UHFFFAOYSA-N,3,1,0.269,76,368,498.51,4.366,7,0.34,0.57,0.989,0.04256904941402234,0.0292474813241039,0.2527671167157837,0.2611541361113015,0.1464344458913029
EOS-3-55306,c1cnc(CCOc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)nc1,QAAUZKDRNXMTIR-UHFFFAOYSA-N,3,1,0.538,35,795,395.426,3.265,5,0.436,0.79,1.0,0.5984853676924131,0.48684120348159826,0.29638989788225617,0.31564834487012544,0.42434120348159826
EOS-3-55307,Clc1ccc(-c2nnc3cncc(OCc4ncn(-c5cccnc5Oc5ccccc5)n4)n23)cc1,MIIBWSZBQPYXEW-UHFFFAOYSA-N,3,1,0.484,77,881,496.918,4.792,6,0.31,0.64,1.0,0.484939346172298,0.6517031046535535,0.4141594133369886,0.4615430744979782,0.5030862346652045
EOS-3-55308,Fc1cc(Cl)ccc1COc1ccc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)cn1,PQMQZUIYGDGEFU-UHFFFAOYSA-N,3,1,0.506,59,980,498.852,4.81,5,0.318,0.69,1.0,0.9214498663559728,0.9322099239257077,0.955177849359194,0.9452402165718594,0.9385194640531835
EOS-3-55309,Cc1cc(-c2nnc3cncc(-c4cc(F)cc(-c5cncnc5)c4)n23)cc(C)n1,ZAXIFOWOFLJGQY-UHFFFAOYSA-N,3,1,0.321,82,478,397.417,4.066,5,0.457,0.66,1.0,0.2236824069631965,0.28498732095127133,0.7173086148995956,0.6839061750394079,0.4774711294633678
EOS-3-55310,Cc1c(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)ccc(F)c1COc1ccccc1,WDQHMEKEISPJSJ-UHFFFAOYSA-N,3,1,0.529,79,397,492.913,6.189,5,0.271,0.76,1.0,0.972226029744363,0.9472106092796929,0.9681910081557125,0.9634277979576451,0.9627638612843534
EOS-3-55311,CC(C)N=c1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)cn2)c[nH]1,ZPDROTJCJUOQQD-UHFFFAOYSA-N,3,1,0.291,32,126,490.596,5.281,6,0.355,0.49,0.949,0.03967342882598862,0.05654170379000754,0.4546981015694606,0.35684668631348093,0.22693998012473443
EOS-3-55312,COc1cc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5ccccc5F)nn4)n23)ccc1Cl,GDBIAZDVDMYTPR-UHFFFAOYSA-N,3,1,0.321,3,39,500.885,3.692,6,0.348,0.7,0.787,0.14598896580083615,0.5054828318826674,0.39652011513946955,0.5117281200740182,0.38993000822424784
EOS-3-55313,N#Cc1ccc2c(n1)nc(-c1cncc3nnc(-c4ccc(Cl)cc4)n13)n2Cc1ncc(F)cc1F,CCHNYGPJCPQVQJ-UHFFFAOYSA-N,3,1,0.341,45,316,499.872,4.45,6,0.352,0.68,0.999,0.3966828867109862,0.5651000616818587,0.6352032074566514,0.7973579603865396,0.5985860290590089
EOS-3-55314,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cnc(C(F)(F)F)cn6)nc5)n34)nc2)cn1,FTIJPKYWMKPITE-UHFFFAOYSA-N,3,1,0.385,86,968,500.448,4.125,6,0.355,0.65,1.0,0.09340518127612912,0.2695411555068193,0.8451528339387293,0.7007915838530601,0.47722268864368445
EOS-3-55315,FC(F)(F)c1cccc(-c2cccc(-c3cncc4nnc(-c5cccnc5-c5ccccn5)n34)n2)n1,WNYHIWFFMAQUSM-UHFFFAOYSA-N,3,1,0.333,76,126,496.456,5.391,6,0.323,0.62,0.999,0.29680111027345624,0.41600130217257214,0.8562213008018642,0.7764803646083202,0.5863760194640532
EOS-3-55316,Cc1ccccc1-c1cncc(Cc2cncc3nnc(-c4ccc(F)nc4)n23)c1,ASTSJSBAWJNBEZ-UHFFFAOYSA-N,3,1,0.345,14,81,396.429,4.287,5,0.424,0.81,1.0,0.37879514769378386,0.36880611335754915,0.7827856212733877,0.7764889315331369,0.5767189534644643
EOS-3-55317,Fc1cc(-c2ccc(Cl)nc2)ccc1-c1nnc2cncc(Oc3ccc(Cl)cc3Cl)n12,KMEQZXDWNGMIAR-UHFFFAOYSA-N,3,1,0.459,57,913,486.721,6.745,5,0.263,0.71,1.0,0.8557072853128641,0.9366732917551915,0.9843139606606812,0.9941487903502159,0.9427108320197383
EOS-3-55318,Cc1cc(COc2cncc3nnc(-c4cccc(-c5ccccc5)c4)n23)n(C)n1,ORBYEBDTVMVDQC-UHFFFAOYSA-N,3,1,0.494,1,347,396.454,4.079,5,0.448,0.76,1.0,0.3419745048317456,0.2954818038516894,0.44018573093002533,0.4206788431224728,0.3745802206839833
EOS-3-55319,Clc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2Cl)ccn1,JLRNCLFBXUJKEL-UHFFFAOYSA-N,3,1,0.561,97,31,488.787,6.454,5,0.266,0.73,1.0,0.7560568158453841,0.9062864094304708,0.940579809471592,0.9665461585909122,0.8923672983345897
EOS-3-55320,Cc1ncc(-c2cncc(COc3cncc4nnc(-c5ccccc5)n34)c2)cn1,RBCPGUUGLYVYIR-UHFFFAOYSA-N,3,1,0.577,97,969,395.426,3.531,5,0.449,0.78,1.0,0.6715012679048729,0.3922452196559523,0.4859502433006648,0.4041618120759372,0.4884646357343568
EOS-3-55321,Clc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)cn1,KNWJMCMAEQIEGI-UHFFFAOYSA-N,3,1,0.489,40,355,499.947,4.394,6,0.328,0.71,1.0,0.7619851278185182,0.8097714344458913,0.3147488177643753,0.32468645055170997,0.5527979576451236
EOS-3-55322,CCn1cnnc1-c1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c(F)c1,FYJZKEJLQOMQRE-UHFFFAOYSA-N,3,1,0.435,67,789,500.473,3.936,6,0.338,0.7,1.0,0.5984939346172298,0.5512302104036735,0.4002124597354534,0.3668185868000822,0.47918879788910973
EOS-3-55323,COc1cc(-c2cn(C)nn2)ccc1-c1cncc2nnc(-c3cnc(CC#Cc4ccccn4)nc3)n12,VHHKKNXXERZVCS-UHFFFAOYSA-N,3,1,0.293,82,478,500.526,3.042,6,0.329,0.67,0.998,0.08612329518196149,0.07185936536220958,0.30377458707422383,0.21142313755054484,0.16829509629223494
EOS-3-55324,Fc1cc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3cncc(Br)c3F)n12,FOMWHVQNUBXOTM-UHFFFAOYSA-N,3,1,0.547,35,265,499.275,4.504,5,0.34,0.66,1.0,0.8906689054896855,0.776797340826537,0.807869577136591,0.7882427523816051,0.8158946439586046
EOS-3-55325,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccnn6C(F)F)cc5)n34)s2)cs1,DPULZIPBVSSGRV-UHFFFAOYSA-N,3,1,0.308,38,126,491.552,6.21,6,0.287,0.72,1.0,0.07960386539647728,0.27454423959975327,0.6641765471866219,0.6110616133232815,0.40734656637653344
EOS-3-55326,Cc1cc(-c2nnc3cncc(OCc4ccc(Oc5ccccn5)cc4)n23)cc(-c2ccsc2)n1,CJFKQCJGDUZACB-UHFFFAOYSA-N,3,1,0.473,28,942,492.564,5.99,6,0.27,0.7,1.0,0.480013364402714,0.3734665204578165,0.661777808237955,0.5515471866218902,0.5167012199300939
EOS-3-55327,COc1cc(-c2nncn2C)ccc1-c1cncc2nnc(-c3cnc(C(C)c4nnc(C)o4)n3C)n12,QSZSQAMBONUXTH-UHFFFAOYSA-N,3,1,0.266,99,765,497.523,2.839,6,0.337,0.51,0.986,0.13544308135151806,0.04551607155095607,0.03490165170310466,0.010828592968268111,0.056672349393461725
EOS-3-55328,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Br)ncc5F)n34)ccc2F)n1,FIOFXNIOEAJZOA-UHFFFAOYSA-N,3,1,0.512,16,772,499.279,3.602,5,0.341,0.58,0.999,0.7322407648550476,0.742521074635049,0.669642245219656,0.6431961483106025,0.6969000582550888
EOS-3-55329,CN(Cc1ccccc1F)C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)n1C,GGHUWGWIQLCACK-UHFFFAOYSA-N,3,1,0.364,62,504,501.497,3.446,5,0.383,0.65,1.0,0.25113083407580017,0.3156826125693921,0.447364813926393,0.39521794256733606,0.35234905078473033
EOS-3-55330,CCn1ccnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4F)n23)n1,OBEDVXDNRXBVEK-UHFFFAOYSA-N,3,1,0.366,7,408,500.498,2.47,6,0.318,0.66,0.997,0.3880388595709684,0.2745528065245699,0.018778699198135837,0.021640052086902884,0.17575260434514425
EOS-3-55331,Cc1ccc(Oc2cncc3nnc(-c4cccc(-c5cnc(C)nn5)c4)n23)cc1,JAPUEXCDJWYFFW-UHFFFAOYSA-N,3,1,0.5,72,374,395.426,4.052,5,0.453,0.83,1.0,0.509877664313618,0.3590826536906312,0.44372387087930915,0.3892896305942019,0.42549345486944007
EOS-3-55332,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)ncn4)n23)cc1F,WHGWGUWXJRFNFO-UHFFFAOYSA-N,3,1,0.48,56,675,498.457,3.296,6,0.318,0.56,0.991,0.42331745596600645,0.4648156397779453,0.5407699952025221,0.5016791172640669,0.4826455520526352
EOS-3-55333,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4cc(F)ccc4C#N)n23)cn1,RTZBMSPQJSIHPX-UHFFFAOYSA-N,3,1,0.358,22,844,396.389,3.265,5,0.464,0.69,1.0,0.24833801658556645,0.37347508738263313,0.7227057775340964,0.7199129600438626,0.5161079603865396
EOS-3-55334,Cn1nnnc1-c1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cn4)n23)n1,SPULCQZVDYJVIC-UHFFFAOYSA-N,3,1,0.386,46,775,500.433,2.086,6,0.331,0.63,1.0,0.392407991227469,0.3734836543074498,0.1047220889589473,0.13199061065040094,0.25065108628606675
EOS-3-55335,COc1cc(-c2nnc3cncc(Oc4ccc(-c5ncc(C(F)(F)F)cn5)cn4)n23)ccc1Cl,WXQNVXALTXJBMT-UHFFFAOYSA-N,3,1,0.447,27,412,499.84,5.116,5,0.328,0.8,1.0,0.9316959084367076,0.9436896031800425,0.9686964567198958,0.920516071550956,0.9411495099719004
EOS-3-55336,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(-c5cccc(F)c5)c4)n23)cn1,GZEHHMAFDSSHED-UHFFFAOYSA-N,3,1,0.462,3,480,498.909,5.234,6,0.321,0.77,1.0,0.5900126790487287,0.8214652868206429,0.7456565691179494,0.7973665273113563,0.7386252655746693
EOS-3-55337,Cn1cc(-n2cc(-c3cncc4nnc(-c5cc(C(F)F)nn5C)n34)cn2)cn1,DVMLLTCSFYFLPF-UHFFFAOYSA-N,3,1,0.25,50,450,396.365,2.049,5,0.461,0.62,1.0,8.566924816667809e-06,0.005157288739634021,0.3333219107669111,0.2641782605715852,0.15066650675073676
EOS-3-55338,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)cs5)n34)cc2F)n[nH]1,CFQBGSFLGJCXHP-UHFFFAOYSA-N,3,1,0.484,12,177,497.519,3.897,6,0.357,0.59,1.0,0.5587605373175245,0.5797066684942773,0.3479627852785964,0.34726029744362963,0.45842257213350696
EOS-3-55339,Fc1ccnc(-c2cccc(-c3cncc4nnc(-c5ccc(-c6cccc(C(F)F)n6)nc5)n34)c2)n1,FUKVMFZDOBHWAJ-UHFFFAOYSA-N,3,1,0.326,32,20,496.456,5.449,6,0.293,0.67,1.0,0.3348639572339113,0.5556935782331575,0.8519207045438969,0.8189037763004592,0.6403455040778562
EOS-3-55340,Fc1ccc(C2CCC(c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)C2)nc1-c1ccccn1,MOIZCIPALDDBTJ-UHFFFAOYSA-N,3,1,0.388,52,81,487.489,5.771,6,0.313,0.45,0.277,0.3069614831060243,0.5143667329175519,0.6995151120553766,0.7540350215886505,0.5687195874169009
EOS-3-55341,CCn1ncc(-c2cncc3nnc(-c4ccc(C(=O)NCc5ccccc5)cc4)n23)c1-c1ccccc1,QMDPOGDFSBRLFT-UHFFFAOYSA-N,3,1,0.339,17,220,499.578,5.272,6,0.323,0.8,1.0,0.1791857994654239,0.10810602426153108,0.42167260640120624,0.38578575834418477,0.2736875471180865
EOS-3-55342,COc1cccc(-c2nccnc2-c2nnc3cncc(-c4cc(-c5cc(Cl)n(C)n5)ncn4)n23)n1,LZUNETLXRZIISE-UHFFFAOYSA-N,3,1,0.255,76,114,497.91,3.163,6,0.349,0.49,0.706,0.2292937427181139,0.29030738126242206,0.10724076485504763,0.11412000548283188,0.18524047357960385
EOS-3-55343,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C)nc5-c5cocn5)n34)c(Cl)c2)c(C)nn1,ZKVHTZRREAISIF-UHFFFAOYSA-N,3,1,0.272,3,532,494.946,5.544,6,0.314,0.59,0.993,0.26956685628126925,0.35410527037214723,0.4959050099376328,0.4859759440751148,0.401388270166541
EOS-3-55344,O=C(O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccccc5)ncn4)n23)cc1,AWEVVPDGMONBLN-UHFFFAOYSA-N,3,1,0.365,30,366,394.394,3.614,5,0.496,0.87,1.0,0.15737440888218765,0.012413474059351655,0.5029727229113837,0.42068741004728943,0.2733620039750531
EOS-3-55345,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4nc(-c5ccc(Cl)cc5)ncc4F)n23)nc1,UESMYKFPKDAUML-UHFFFAOYSA-N,3,1,0.398,42,318,499.897,4.629,6,0.338,0.69,1.0,0.7411589335891988,0.7639469536015352,0.4686450551709958,0.4828575834418477,0.6141521314508944
EOS-3-55346,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cn4)n23)cc1,BTAPCUCFJQJWAN-UHFFFAOYSA-N,3,1,0.438,66,646,392.85,3.18,4,0.563,0.85,1.0,0.25600541429648416,0.21830237817832912,0.3554931121924474,0.3246950174765266,0.28862398053594684
EOS-3-55347,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)cc5-c5ccccc5)n34)nc2)n1,ZVOWERNZAPKYAG-UHFFFAOYSA-N,3,1,0.367,41,285,493.958,6.008,6,0.292,0.76,1.0,0.5869028853402782,0.6271074635049003,0.6530909464738538,0.6603899664176547,0.6318728154341717
EOS-3-55348,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4cccc(-c5cc6ncccc6nn5)n4)n23)cc1,FLFSAKNDPYCZOL-UHFFFAOYSA-N,3,1,0.3,32,126,497.497,5.06,7,0.332,0.58,0.507,0.24288945240216572,0.4020115139469536,0.5273713247892536,0.6170327599204989,0.447326262764718
EOS-3-55349,Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)cs5)n34)cc2F)n1,GLHNHLZCPHFOKC-UHFFFAOYSA-N,3,1,0.505,12,667,495.543,5.398,6,0.306,0.68,1.0,0.6896460146665753,0.6756733602905901,0.5306353231444041,0.5216657528613529,0.6044051127407306
EOS-3-55350,Fc1ccc(Oc2ccc(COc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)cn1,ZBSYCSIBIRJBAE-UHFFFAOYSA-N,3,1,0.484,77,427,497.515,5.215,6,0.277,0.77,1.0,0.8327393598793777,0.7511051333013501,0.6832807895277911,0.5742324035364266,0.7103394215612364
EOS-3-55351,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(NC(N)=O)s4)n23)cc1,PYZDYQSTMLATGH-UHFFFAOYSA-N,3,1,0.346,74,437,394.42,1.765,4,0.482,0.86,1.0,0.02791104105270372,0.00887533411006785,0.02772256870673703,0.0037951476937838394,0.01707602289082311
EOS-3-55352,N#Cc1ccc(COc2cncc3nnc(-c4cccc(-c5nc[nH]n5)c4)n23)nc1,CATLNCNGZBJMPU-UHFFFAOYSA-N,3,1,0.506,4,506,395.386,2.422,5,0.48,0.75,1.0,0.4487269549722432,0.4821979302309643,0.44373243780412586,0.39227948735521895,0.44173420259063806
EOS-3-55353,FC(F)(F)c1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cn2)n1,WJESZGVFDRPQPQ-UHFFFAOYSA-N,3,1,0.49,58,779,499.844,3.727,5,0.344,0.59,1.0,0.7322493317798643,0.8618926050304982,0.7593293811253512,0.657340141182921,0.7527028647796588
EOS-3-55354,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc(-c2ccc(F)c(Cl)c2)n1,HLDUKMSZMXQZCG-UHFFFAOYSA-N,3,1,0.692,88,485,494.357,6.229,5,0.28,0.78,1.0,0.9742992255499966,0.9689191967651292,0.9474761839490097,0.9585275169625112,0.9623055308066617
EOS-3-55355,Cc1cccc(COc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)n1,SKFYHRJSMBPVTR-UHFFFAOYSA-N,3,1,0.506,81,506,395.426,3.531,5,0.449,0.79,1.0,0.3988331848399698,0.32538037146186005,0.41053560413953805,0.3472688643684463,0.37050450620245357
EOS-3-55356,COc1ccnnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(=O)NCCF)cc4)n23)n1,TXTQAONHXNRKOG-UHFFFAOYSA-N,3,1,0.44,89,408,501.482,2.325,5,0.32,0.67,1.0,0.3811253512439175,0.10457645123706394,0.13263313001165103,0.06371221986155849,0.17051178808854775
EOS-3-55357,O=C(c1ccc(-c2nnc3cncc(-c4cncc(-c5ccc(F)nc5)c4)n23)cc1)N1CCC(F)(F)C1,GEMUJPXLVJCFDY-UHFFFAOYSA-N,3,1,0.358,52,376,501.472,4.536,6,0.336,0.8,1.0,0.21830237817832912,0.1729833458981564,0.5340192584469878,0.6779264615173737,0.40080786101021176
EOS-3-55358,CCCn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C)nc4)n23)cn1,JYZVKSHFXJVWQU-UHFFFAOYSA-N,3,1,0.337,82,514,396.458,3.83,5,0.449,0.74,0.999,0.1057843876362141,0.04552463847577274,0.13264169693646768,0.11875471180864916,0.10067635871427592
EOS-3-55359,Cc1ncc(-c2nc(Cc3cncc4nnc(-c5ccc(OC(F)F)cc5F)n34)ccc2Cl)cn1,NPUFCPAMSJFDHV-UHFFFAOYSA-N,3,1,0.422,14,81,497.868,4.936,5,0.328,0.6,0.999,0.7261411143855802,0.864788225618532,0.9012747584127202,0.8937101637996024,0.8464785655541086
EOS-3-55360,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)cn1,IUUNLYZTCTVRTG-UHFFFAOYSA-N,3,1,0.366,63,66,392.81,2.189,5,0.566,0.86,1.0,0.1907854156671921,0.2335001028030978,0.023447673223219792,0.07265608937015969,0.13009732026591733
EOS-3-55361,Cc1nnc(-c2cc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)ccc2Cl)s1,DQBOXBVYJFATFE-UHFFFAOYSA-N,3,1,0.398,52,916,502.003,4.755,6,0.36,0.81,1.0,0.2154067575902954,0.284995887876088,0.1993866081831266,0.29992803783154,0.24992932287026248
EOS-3-55362,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cccnc5-c5ccc(F)c(Cl)c5)n34)nc2)nc1,ISZBHALSAOGDDR-UHFFFAOYSA-N,3,1,0.316,32,977,498.884,5.304,6,0.325,0.73,1.0,0.3718045370433829,0.5189157699952025,0.8078781440614077,0.8584829689534644,0.6392703550133644
EOS-3-55363,c1cncc(CCOc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)c1,PVLQEQSHUPYZOO-UHFFFAOYSA-N,3,1,0.59,72,628,395.426,3.265,5,0.436,0.77,1.0,0.7411675005140155,0.57442944280721,0.4216811733260229,0.40417037900075387,0.5353621239120006
EOS-3-55364,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C(F)(F)F)c5)n34)c(F)n2)n1,GBJLEFLKUDESAO-UHFFFAOYSA-N,3,1,0.495,58,271,497.416,3.521,5,0.257,0.61,1.0,0.8580803234870811,0.8922537865807689,0.752835652114317,0.5929254334863957,0.7740237989171407
EOS-3-55365,FC(F)(F)c1ccc(-c2cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)ccn2)cc1,MMGUIGSENPEIBO-UHFFFAOYSA-N,3,1,0.533,11,676,496.88,5.542,5,0.287,0.73,1.0,0.9628966486190117,0.9610461928586115,0.9775546569803304,0.9615430744979782,0.965760143238983
EOS-3-55366,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccc(C)c(F)c6)cn5)n34)nn2)s1,NVXHHIDUKCGHRQ-UHFFFAOYSA-N,3,1,0.34,28,870,496.531,5.315,6,0.316,0.66,0.982,0.5485915975601399,0.5465955040778562,0.45094578849976014,0.41418511411143855,0.49007950106229864
EOS-3-55367,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cccs5)cc4)n23)cc1,MCCFZGAZWJXCJJ-UHFFFAOYSA-N,3,1,0.573,1,230,398.491,5.407,5,0.397,0.85,1.0,0.910304297169488,0.6856366938523748,0.8078867109862243,0.7669196765129189,0.7926868446302515
EOS-3-55368,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(Cl)c5)n34)nn2)n1,FLTWTYKKWLDEEE-UHFFFAOYSA-N,3,1,0.361,52,310,501.938,3.628,6,0.374,0.77,0.762,0.4345915290247413,0.3345983825645946,0.0802892193818107,0.11876327873346583,0.2420606024261531
EOS-3-55369,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncc(Cl)cn5)cc4F)n23)cc1,WIPGQMSLTOTDKA-UHFFFAOYSA-N,3,1,0.352,62,341,501.909,4.725,6,0.358,0.89,1.0,0.507504626139401,0.5054913988074841,0.5029812898362004,0.5613905832362415,0.5193419745048317
EOS-3-55370,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccccn5)n34)ccn2)nc1,HTTGGJQOMSCYQQ-UHFFFAOYSA-N,3,1,0.628,75,420,396.414,2.926,5,0.447,0.67,1.0,0.38113391816873415,0.2850044548009047,0.18585943389760812,0.14582619422931944,0.24945600027414158
EOS-3-55371,NC(F)(c1ccc(F)cc1)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(F)n5)c4)n23)nc1,NFTYCCUOEOTXSN-UHFFFAOYSA-N,3,1,0.273,10,664,499.46,3.842,6,0.283,0.69,0.315,0.025435199780686726,0.17299191282297308,0.9464224521965595,0.9257932972380234,0.5176607155095607
EOS-3-55372,Cn1nc(-c2ccc(C(=O)NC3CC3)cc2)cc1-c1nnc2cncc(OCc3cnc(Cl)cn3)n12,NBYFJSKUOQPNMY-UHFFFAOYSA-N,3,1,0.375,89,398,501.938,3.106,6,0.36,0.73,0.998,0.2560139812213008,0.1814988691659242,0.09460455075046262,0.12761291206908368,0.1649325783016928
EOS-3-55373,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cc(Cl)ccc5F)nn4)n23)cc1,OHKQCVIIMBJHAH-UHFFFAOYSA-N,3,1,0.365,62,331,501.909,4.725,6,0.358,0.84,1.0,0.4651668836954287,0.528005277225687,0.5239102871633199,0.6142228085806319,0.5328263141662669
EOS-3-55374,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)nn4)n23)cn1,CXLBNTOWWSOFCM-UHFFFAOYSA-N,3,1,0.295,63,66,392.81,2.189,5,0.566,0.88,0.976,0.14052326776780208,0.18150743609074088,0.03224590500993763,0.10294873552189705,0.1143063360975944
EOS-3-55375,Cc1ccccc1COc1cncc2nnc(-c3cnnc(-c4cnccn4)c3)n12,GEPQCLOSJFRXKG-UHFFFAOYSA-N,3,1,0.453,55,540,396.414,2.926,5,0.447,0.68,1.0,0.44873552189705984,0.30534233431567404,0.3401925844698787,0.29993660475635664,0.3485517613597423
EOS-3-55376,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncc(Cl)nn4)n23)cc1,ONLXHAHFRFSHSS-UHFFFAOYSA-N,3,1,0.403,63,437,392.81,2.189,5,0.566,0.86,1.0,0.16816873415118908,0.21334212870947844,0.037514563772188335,0.10295730244671372,0.1304956822698924
EOS-3-55377,Cc1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(Cl)c5)n34)nc2)s1,ZXLAJWDOSQFVMV-UHFFFAOYSA-N,3,1,0.36,52,916,502.991,4.15,6,0.371,0.83,1.0,0.1459975327256528,0.1991124665889932,0.09021828524432869,0.1691796312795559,0.15112697895963265
EOS-3-55378,Cc1cccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)n1,QYYQHJUMKDFAMK-UHFFFAOYSA-N,3,1,0.537,40,22,395.426,3.531,5,0.449,0.78,1.0,0.5173651566033857,0.4114351312452882,0.44019429785484204,0.35363408950723046,0.4306571688026866
EOS-3-55379,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c(OC(F)F)n2)nc1,RONMFSGUFVXTDP-UHFFFAOYSA-N,3,1,0.5,73,263,498.4,3.539,5,0.297,0.58,0.999,0.8445445822767459,0.8761137002261669,0.6178123500788157,0.586782948392845,0.7313133952436434
EOS-3-55380,Cn1cncc1-c1cnc(COc2cncc3nnc(-c4cnc(Cc5ccccc5)s4)n23)c(F)c1,LCWRQNUBCNDDND-UHFFFAOYSA-N,3,1,0.438,28,414,498.547,4.352,6,0.323,0.64,1.0,0.472611541361113,0.4515454732369269,0.35550167911726405,0.3568552532382976,0.40912848673840035
EOS-3-55381,Cc1ncnc(-c2ccc(F)c(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c2)c1C,PGTFYCOSQNQVLX-UHFFFAOYSA-N,3,1,0.495,34,146,495.345,5.89,5,0.303,0.67,1.0,0.8889383866767185,0.9380611335754917,0.8942498800630526,0.9039733397299705,0.9063056850113084
EOS-3-55382,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5nnc(-c6ncccn6)s5)n4)n23)cc1,BGWNGTXEOHDSDU-UHFFFAOYSA-N,3,1,0.516,81,218,499.947,4.394,6,0.328,0.69,0.999,0.567233225961209,0.8675810431087657,0.16339695702830512,0.24341203481598245,0.46040581522856555
EOS-3-55383,O=C(NCc1ccc(F)cc1)c1ccc(-c2nnc3cncc(-c4cccnc4-c4cccnc4)n23)cc1,YPICUZWCKVGPCH-UHFFFAOYSA-N,3,1,0.436,69,484,501.525,4.984,6,0.346,0.85,1.0,0.4075029127544377,0.3346069494894113,0.7303988760194641,0.6808477828798575,0.5383391302857926
EOS-3-55384,COCc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)n(C)n2)cc1F,UUGHUGGIJZJXAC-UHFFFAOYSA-N,3,1,0.373,46,564,498.881,3.639,5,0.335,0.55,1.0,0.3581831265848811,0.3637944623397985,0.65032382975807,0.6256168185868001,0.4994795593173874
EOS-3-55385,c1cnn(-c2ccc(Cn3ncnc3-c3cncc4nnc(-c5ccc(-c6cnccn6)cn5)n34)nc2)c1,FYOZULHHLQCKGJ-UHFFFAOYSA-N,3,1,0.241,86,421,499.502,2.531,7,0.335,0.52,0.998,0.02129737509423617,0.006185319717634158,0.07399252964155986,0.0870228222877116,0.04712451168528545
EOS-3-55386,O=C(NCc1ccccc1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccc5F)c4)n23)nc1,HGJJAKBWFGSJLE-UHFFFAOYSA-N,3,1,0.34,30,93,501.525,4.984,6,0.346,0.84,1.0,0.3174302652319923,0.24417449112466588,0.6446353916798027,0.6228754026454664,0.4572788876704818
EOS-3-55387,Clc1cc(-c2ncc(-c3nnc4cncc(-c5ccc(-c6ccccn6)cc5Cl)n34)cn2)ncn1,UBGTUIDLVJSSMP-UHFFFAOYSA-N,3,1,0.303,94,693,498.337,5.074,6,0.31,0.65,1.0,0.2667826057158522,0.3396014666575286,0.6293348639572339,0.7385460215201152,0.49356623946268247
EOS-3-55388,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(F)cc4F)n23)nc1,SRHHWJYMERENKS-UHFFFAOYSA-N,3,1,0.34,63,999,392.369,3.024,5,0.577,0.92,0.999,0.21541532451511206,0.2954903707765061,0.41797169488040575,0.5742409704612432,0.37577959015831675
EOS-3-55389,Cc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(-c4ccnn4C)nc3)n12,JIISOAMRLPKSQD-UHFFFAOYSA-N,3,1,0.306,50,974,397.446,3.094,6,0.463,0.62,1.0,0.04842025906380645,0.03815708313343842,0.0277311356315537,0.05338907545747378,0.04192438832156809
EOS-3-55390,Cc1nccc(COc2cncc3nnc(-c4ncc(-c5ccc(Cl)c(Cl)c5)cn4)n23)c1Cl,XLMYGFJEBLIDIE-UHFFFAOYSA-N,3,1,0.449,73,606,498.761,5.491,5,0.316,0.77,1.0,0.6924730998560756,0.6368994585703516,0.8356606812418614,0.8896323075868686,0.7636663868137893
EOS-3-55391,Clc1ccc(-c2nsc(COc3cncc4nnc(-c5ccc(-c6ccccn6)cc5)n34)n2)cn1,LEAQMDZIGCHYCT-UHFFFAOYSA-N,3,1,0.479,40,120,498.959,4.999,6,0.295,0.8,1.0,0.5048917140703173,0.6906226440956754,0.3479713522034131,0.4269926667123569,0.49261959427044066
EOS-3-55392,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5coc(-c6ccccn6)n5)cc4)n23)ccn1,RKYMURUQJNMAST-UHFFFAOYSA-N,3,1,0.541,28,120,495.93,5.178,6,0.279,0.63,1.0,0.9159927352477555,0.8705537660201494,0.5867229799191283,0.5773079295456103,0.7376443526831609
EOS-3-55393,Oc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)nc1,ALZKUZDDZLWLDK-UHFFFAOYSA-N,3,1,0.588,24,912,397.398,2.928,5,0.482,0.56,1.0,0.3124271811390583,0.23894866698649853,0.3630320060311151,0.2967839764238229,0.30279795764512374
EOS-3-55394,Cc1cc(-c2nnc3cncc(CCc4ccc(-c5nnc(C)n5C)nc4F)n23)ccc1C(F)(F)F,BWVQLZRHYKXXFB-UHFFFAOYSA-N,3,1,0.385,66,225,496.472,4.542,5,0.262,0.69,1.0,0.3489993831814132,0.40655198409978754,0.7889880748406553,0.6894404084709752,0.5584949626482077
EOS-3-55395,CCc1cc(OC(F)F)nnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)cc1,WIFZIMRNHYFBFE-UHFFFAOYSA-N,3,1,0.355,62,124,501.497,4.439,5,0.351,0.78,1.0,0.6267390857377836,0.49139024055924885,0.6915821396751423,0.5383883901034885,0.5870249640189158
EOS-3-55396,c1cc(-c2ccc(-c3nnc4cncc(-c5cnn(C6COC6)c5)n34)cc2)ccn1,DZUXGMGHGLFUIY-UHFFFAOYSA-N,3,1,0.321,82,519,395.426,3.288,6,0.464,0.8,1.0,0.05481975190185731,0.10141525597971353,0.4179802618052224,0.4739222808580632,0.2620343876362141
EOS-3-55397,Cc1cnc(-c2cc(-c3nnc4cncc(Cc5cccc(=N)[nH]5)n34)nn2C)cn1,ULILCHJOZCLDRZ-UHFFFAOYSA-N,3,1,0.26,85,60,398.434,1.689,5,0.474,0.57,0.901,0.016474196422452198,0.0074189568912343224,0.06528853402782538,0.04411966280583922,0.03332533753683778
EOS-3-55398,Cc1cnnc(COc2cncc3nnc(-c4cc(-c5ccccc5)ccn4)n23)c1,RTTTUCNOCRFUTL-UHFFFAOYSA-N,3,1,0.442,1,700,395.426,3.531,5,0.449,0.76,1.0,0.3788037146186005,0.24910903981906654,0.3439448975395792,0.3536426564320472,0.33137507710232333
EOS-3-55399,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4[nH]c(-c5ccccc5)nc4-c4ccccc4)n23)cc1,ALSDWCDZCNDXAU-UHFFFAOYSA-N,3,1,0.329,21,810,494.562,5.916,7,0.321,0.66,1.0,0.07141388527174286,0.07186793228702625,0.5931567404564457,0.6170413268453157,0.3383699712151326
EOS-3-55400,Cc1nnc(-c2cc(-c3cc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)n(C)n3)ccn2)o1,BZWKAQVLPLZAIX-UHFFFAOYSA-N,3,1,0.5,81,218,499.922,4.178,6,0.332,0.63,1.0,0.5985025015420464,0.7555599342060174,0.27452710575011996,0.28186896031800424,0.477614625454047
EOS-3-55401,O=C(c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)cc1)N1CCOCC1,XLFPTLDETMANRJ-UHFFFAOYSA-N,3,1,0.5,0,901,504.497,3.022,6,0.424,0.84,1.0,0.19335549311219244,0.10811459118634775,0.024364334178603248,0.10296586937153039,0.10720007196216845
EOS-3-55402,Cc1cccc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)n1,VHORHEFYDBMDFJ-UHFFFAOYSA-N,3,1,0.512,4,506,395.426,3.531,5,0.449,0.75,1.0,0.36731546843944896,0.31050818998012475,0.4859588102254815,0.41099821807963816,0.3936951716811733
EOS-3-55403,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5nccc(C(F)(F)F)n5)cc4)n23)nc1,PSZBQUFBDRNVQW-UHFFFAOYSA-N,3,1,0.333,52,582,502.46,4.221,6,0.383,0.75,1.0,0.3443218422315126,0.3969398944554863,0.6696508121444726,0.5807689671715441,0.4979203790007539
EOS-3-55404,Cc1ccc(Cl)cc1CCOc1ncccc1-c1cncc2nnc(-c3ccc(C(F)F)cc3)n12,SYYNRLKCNHXKMW-UHFFFAOYSA-N,3,1,0.417,62,3,491.929,6.374,5,0.264,0.78,1.0,0.6653759166609554,0.8429597011856624,0.9594441779178946,0.9436210677815091,0.8528502158865053
EOS-3-55405,FCc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5cc(F)cnc5F)c4)n23)c(Cl)n1,YQFHQCNTORIXME-UHFFFAOYSA-N,3,1,0.459,75,496,498.856,4.061,5,0.309,0.58,1.0,0.8279761496813104,0.8097800013707079,0.5510074703584401,0.6202710575011994,0.7022586697279145
EOS-3-55406,COC(=O)c1cc(Cc2cncc3nnc(-c4ccc(C)nc4)n23)ccc1Cl,JRYRSUJNZXIAGJ-UHFFFAOYSA-N,3,1,0.402,66,225,393.834,3.526,4,0.493,0.92,1.0,0.3626379274895484,0.3590912206154479,0.5543485710369406,0.4709152902474128,0.43674825234733744
EOS-3-55407,Clc1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cc1Cl,KPGVRCLMFZZLGH-UHFFFAOYSA-N,3,1,0.4,69,30,484.346,7.087,6,0.267,0.76,1.0,0.36491672949078197,0.5096206565691179,0.9605750119936948,0.9776060585292303,0.7031796141457063
EOS-3-55408,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCc5nc(-c6ccns6)ccc5F)n34)c2)n1,GDFGPBCMBWKFGY-UHFFFAOYSA-N,3,1,0.412,80,843,498.507,3.583,6,0.336,0.56,0.999,0.4972585840586663,0.5466040710026728,0.19250736755534234,0.19389520937564253,0.35756630799808103
EOS-3-55409,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)c(Cl)c5)nn4)n23)cc1,QGXVWSQUUTWCFX-UHFFFAOYSA-N,3,1,0.37,8,890,502.329,3.808,6,0.354,0.72,1.0,0.210078130354328,0.38294153930505104,0.2963984648070728,0.47092385717222945,0.3400854979096703
EOS-3-55410,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ncc(OC)cc4F)n23)cc1,XUFDSFLQOIYOCQ-UHFFFAOYSA-N,3,1,0.443,66,646,392.394,2.284,4,0.56,0.88,1.0,0.5754232060859434,0.43843807826742515,0.40377630045918717,0.24038791035569873,0.4145063737920636
EOS-3-55411,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(C)c4)n23)nc1,DLRGYAJEJCFJSO-UHFFFAOYSA-N,3,1,0.407,33,457,393.382,1.967,4,0.517,0.83,1.0,0.5024073058734837,0.2540692892879172,0.29640703173188954,0.1507607429237201,0.3009110924542527
EOS-3-55412,c1ccc(Oc2cccc(CCOc3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)c2)cc1,IYUHBIPQDQWBJO-UHFFFAOYSA-N,3,1,0.614,17,403,491.576,6.329,6,0.248,0.76,1.0,0.8557158522376808,0.7555685011308341,0.7504968816393668,0.7034216297717771,0.7663007161949147
EOS-3-55413,Fc1cccc(-c2cc(-c3cc(COc4cncc5nnc(-c6ccc(Cl)cc6)n45)[nH]n3)ncn2)c1,XBDPBLHRLGGWPT-UHFFFAOYSA-N,3,1,0.474,57,461,498.909,5.01,6,0.344,0.67,0.945,0.7560653827702009,0.8732180796381331,0.7827941881982043,0.8208399013090261,0.8082293879788911
EOS-3-55414,CNC(=O)c1ccc(-c2nnc3cncc(C(C)c4ccc(F)c(F)c4)n23)cn1,KLAQOUGEDBDQFD-UHFFFAOYSA-N,3,1,0.442,90,9,394.385,2.976,4,0.575,0.72,0.996,0.3557072853128641,0.38295010622986775,0.782802755123021,0.6603985333424713,0.545464670002056
EOS-3-55415,Cc1nc(-c2cc(-c3nnc4cncc(OCCc5ncc(F)c(Cl)n5)n34)ccc2Cl)nn1C,KULXYHXIEUXCOI-UHFFFAOYSA-N,3,1,0.5,37,795,500.325,3.753,5,0.325,0.67,1.0,0.6866475909807416,0.8097885682955246,0.210001028030978,0.3156569117949421,0.5055235247755465
EOS-3-55416,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)c(Cl)cn2)nn1,UIQGIIHNOLJOGC-UHFFFAOYSA-N,3,1,0.5,73,446,499.749,4.886,5,0.337,0.69,1.0,0.7322578987046809,0.8969398944554863,0.6530995133986705,0.7858868480570215,0.7670460386539648
EOS-3-55417,c1ccc(-c2nc(-c3ccccc3)c(-c3cncc4nnc(-c5nncnc5-c5ccccc5)n34)o2)cc1,YIRUWODLDCQXJR-UHFFFAOYSA-N,3,1,0.284,21,993,494.518,5.632,7,0.303,0.57,1.0,0.05482831882667398,0.0455332054005894,0.2891765471866219,0.4110067850044548,0.20013621410458504
EOS-3-55418,Clc1cccc(-c2nnc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)s2)n1,WJRZBJAVXABCRH-UHFFFAOYSA-N,3,1,0.457,28,297,499.947,4.394,6,0.307,0.73,1.0,0.44166780892330887,0.5946045507504626,0.1569032280172709,0.22891679802618053,0.35552309642930574
EOS-3-55419,CCn1c(-c2ccnc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,QXAUPLNJEBUTKU-UHFFFAOYSA-N,3,1,0.317,8,474,498.913,4.381,6,0.322,0.6,0.997,0.2154238914399287,0.3156911794942088,0.2927660886848057,0.4270012336371736,0.3127205983140292
EOS-3-55420,CCc1nc(-c2nnc3cncc(OCc4nc(C(F)(F)F)cs4)n23)ccc1-c1cnc(C)nc1,OUAOGRIDICEFMO-UHFFFAOYSA-N,3,1,0.398,27,690,498.494,4.568,5,0.335,0.62,0.968,0.5486001644849565,0.5697176341580427,0.5867315468439449,0.36986841203481596,0.51872943938044
EOS-3-55421,Cc1cccc(-c2cc(-c3cncc4nnc(-c5cnc(C)cn5)n34)nc(C)n2)c1,MVUVOZWIIGZDEN-UHFFFAOYSA-N,3,1,0.258,50,155,394.442,3.631,5,0.461,0.85,1.0,0.1162446028373655,0.04554177232540607,0.20652285655541086,0.18023953121787403,0.13713719073401412
EOS-3-55422,CCc1cc(-c2nnc3cncc(-c4cnn(-c5cccc(C)n5)c4)n23)cc(C)n1,YZFBIFVPHWXSES-UHFFFAOYSA-N,3,1,0.283,82,336,396.458,3.613,5,0.461,0.69,0.999,0.004737509423617298,0.011479679254334864,0.1890805976286752,0.12966897402508396,0.08374169008292784
EOS-3-55423,Cc1cncc(-c2cncc(-c3cncc4nnc(-c5ccc(-c6cc(F)c(F)cc6F)cc5)n34)c2)n1,XCJDPMDZZFPFGK-UHFFFAOYSA-N,3,1,0.31,42,192,495.468,5.703,6,0.292,0.65,1.0,0.38804742649578505,0.5744380097320266,0.9464310191213762,0.9420104859159756,0.7127317353162909
EOS-3-55424,Cc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)c4)n23)cn1,OGEIWVWLYJHZNM-UHFFFAOYSA-N,3,1,0.518,97,988,395.426,3.531,5,0.449,0.75,1.0,0.5511188403810569,0.45155404016174355,0.5867401137687616,0.5016876841888835,0.5227751696251114
EOS-3-55425,FC1(F)CCC(n2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6Cl)nc5)n34)cn2)CC1,QAZWIBMRDAXXHP-UHFFFAOYSA-N,3,1,0.326,52,336,491.933,6.121,6,0.303,0.66,0.999,0.14600609965046946,0.3297752038928106,0.5867486806935782,0.8227331916935097,0.471315793982592
EOS-3-55426,CCn1c(-c2cc(F)cc(Cl)c2)nnc1-c1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,MKEQKLQROPTZOC-UHFFFAOYSA-N,3,1,0.372,8,754,498.913,4.381,6,0.344,0.55,1.0,0.15985025015420465,0.3494534301966966,0.2669539442121856,0.4206959769721061,0.29923840038379823
EOS-3-55427,Cn1cncc1-c1ccc(-c2nnc3cncc(COCCc4cccc(Cl)c4Cl)n23)c(F)c1,NHVWBKNKHIEJDK-UHFFFAOYSA-N,3,1,0.394,14,358,497.361,5.397,5,0.282,0.74,1.0,0.3766020149407169,0.4560345418408608,0.9124288945240216,0.9299996573230074,0.6687662771571516
EOS-3-55428,CCc1ncnc(-c2ccc(F)cc2F)c1-c1nnc2cncc(-c3cn(-c4ccccc4F)nn3)n12,AQWYODBIWDUFHI-UHFFFAOYSA-N,3,1,0.291,10,783,499.46,4.476,6,0.345,0.59,0.997,0.0602254814611747,0.2591323418545679,0.5340278253718045,0.6633883901034885,0.3791935096977589
EOS-3-55429,COc1ncc(C(F)F)cc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ncn1,XKMUYRXNZXBERV-UHFFFAOYSA-N,3,1,0.394,27,354,496.865,4.217,5,0.305,0.51,0.999,0.6558751970392708,0.8136436844630252,0.7734476732232198,0.6690511274073059,0.7280044205332055
EOS-3-55430,CCc1nc(COc2cncc3nnc(-c4ccc(C)cc4)n23)nc(OC)c1F,ZPOCKQFLMZBIGG-UHFFFAOYSA-N,3,1,0.512,90,636,394.41,3.179,4,0.496,0.8,1.0,0.7820317318895209,0.7684445891302858,0.13558871907340142,0.0817541635254609,0.4419548009046672
EOS-3-55431,Clc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)s2)cn1,VZTIVHKRVIHPLC-UHFFFAOYSA-N,3,1,0.43,6,297,499.947,4.394,6,0.328,0.69,1.0,0.5840672332259612,0.70056027688301,0.23125556850113083,0.27002090329655265,0.44647599547666367
EOS-3-55432,Cc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccccn4)n23)cc1,BURJJCGFEKESCJ-UHFFFAOYSA-N,3,1,0.524,89,731,395.426,3.531,5,0.449,0.74,1.0,0.5587691042423412,0.464824206702762,0.2745356726749366,0.25806147625248443,0.38904761496813106
EOS-3-55433,Clc1cncc(-c2ccnc(-c3nnc4cncc(OCCc5ncc(Cl)c(Cl)n5)n34)c2)c1,GSVXECGWGSKXJG-UHFFFAOYSA-N,3,1,0.378,18,795,499.749,4.62,5,0.312,0.68,1.0,0.6238862997738331,0.6466828867109862,0.537446028373655,0.7034301966965938,0.627861352888767
EOS-3-55434,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5F)n4)n23)cn1,ZERKDATWJAXROH-UHFFFAOYSA-N,3,1,0.427,4,205,501.457,2.788,6,0.334,0.66,1.0,0.48984819409224867,0.3003735179220067,0.1762302104036735,0.2144472620108286,0.2952247961071894
EOS-3-55435,COc1ncc(F)cc1-c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cc1F,VZWAOVPZHCKKJL-UHFFFAOYSA-N,3,1,0.359,14,476,499.403,4.54,5,0.328,0.63,1.0,0.6210849153587829,0.7597063258172846,0.9585189500376945,0.9039819066547872,0.8108230244671373
EOS-3-55436,COc1nc(-c2ccc(Cl)cc2)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,QMUJMNWZXVCWFX-UHFFFAOYSA-N,3,1,0.461,34,210,498.305,4.677,5,0.311,0.63,1.0,0.8018555959152902,0.8359519566856282,0.6263364402714002,0.6661897745185388,0.7325834418477143
EOS-3-55437,Fc1cccc(-n2nnc(-c3cncc4nnc(-c5cc(F)ccc5F)n34)n2)c1,NWXHRELFAZCUEU-UHFFFAOYSA-N,3,1,0.359,22,990,394.32,2.851,5,0.468,0.79,1.0,0.04842882598862312,0.32978377081762733,0.6027345624014804,0.7644524021657186,0.43634989034336236
EOS-3-55438,Fc1cc(C(F)F)ccc1-c1cncc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)c1,QUFVMHQUWLPFHK-UHFFFAOYSA-N,3,1,0.526,87,884,497.868,4.995,5,0.312,0.63,1.0,0.8538653964772805,0.9322184908505243,0.9281063669385238,0.9238057706805565,0.9094990062367213
EOS-3-55439,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cncc(F)n5)nn4)n23)cc1F,ZGHTYSQJHIYVFF-UHFFFAOYSA-N,3,1,0.339,85,306,503.448,2.939,6,0.375,0.73,0.991,0.22369097388801315,0.28501302172572135,0.2419642245219656,0.3698769789596327,0.28013629977383314
EOS-3-55440,Fc1ccc(Cc2cncc3nnc(-c4cnc(Cl)nc4)n23)nc1CCc1cccc(Cl)c1F,QQWZNKFTZOXXGY-UHFFFAOYSA-N,3,1,0.324,14,81,498.324,4.937,5,0.309,0.65,1.0,0.4186741827153725,0.5512387773284901,0.8212339798505929,0.8799088479199506,0.6677639469536015
EOS-3-55441,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)c(Cl)c1F,VZXURXVAJUZENP-UHFFFAOYSA-N,3,1,0.511,35,161,498.349,5.137,5,0.309,0.67,1.0,0.7648207799328353,0.7555770680556507,0.7617538208484682,0.7928688917826057,0.76875514015489
EOS-3-55442,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c(Cl)cn2)nc1,IKUABSRFEBKQJA-UHFFFAOYSA-N,3,1,0.684,59,996,498.852,5.221,5,0.304,0.72,1.0,0.9894969501747652,0.9883918168734152,0.9639760811459118,0.9574138167363443,0.9748196662326091
EOS-3-55443,N#Cc1ccc(-c2nnc3cncc(OCc4cc(-c5ccccn5)no4)n23)cc1,RHBIQXDWXPGKOC-UHFFFAOYSA-N,3,1,0.556,89,805,395.382,3.292,5,0.445,0.78,1.0,0.814757384689192,0.6856452607771915,0.5374545952984716,0.5082413816736344,0.6365246556096223
EOS-3-55444,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5cccnc5)c4)n23)nn1,DJOFSGWFBPEZQE-UHFFFAOYSA-N,3,1,0.55,72,534,395.426,3.531,5,0.449,0.72,1.0,0.34900795010622987,0.3053509012404907,0.4037848673840038,0.37330374888629975,0.35786186690425603
EOS-3-55445,Cc1nnc(-c2nc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)ccc2F)s1,AZUDIIKCADKPGO-UHFFFAOYSA-N,3,1,0.371,33,53,503.523,3.019,6,0.356,0.79,0.997,0.32726509492152694,0.22369954081282983,0.02345624014803646,0.0337451168528545,0.15204149818381194
EOS-3-55446,c1cncc(CCOc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)c1,LFILLFJEAQJOSA-UHFFFAOYSA-N,3,1,0.605,35,202,395.426,3.265,5,0.436,0.72,1.0,0.6182749640189158,0.5054999657323007,0.5066822013570009,0.4767407991227469,0.5267994825577411
EOS-3-55447,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5cnc6ccccc6n5)cc4)n23)c(F)c1,PRVSNSNRFHXUCH-UHFFFAOYSA-N,3,1,0.314,69,867,498.525,5.608,7,0.314,0.75,1.0,0.2992683846206566,0.3253889383866767,0.7304074429442807,0.7412874374614489,0.5240880508532657
EOS-3-55448,COCc1nc(-c2ccn(C)n2)c(-c2ccc(-c3nnc4cncc(Cn5ccnn5)n34)cc2F)n1C,ZTNASYVIIWSJEB-UHFFFAOYSA-N,3,1,0.316,99,502,499.514,2.518,6,0.329,0.52,1.0,0.23194092248646425,0.3105167569049414,0.08029778630662737,0.08346754848879447,0.17655575354670686
EOS-3-55449,Cc1nc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)nc5)ccn4)n23)nc(Cl)c1Cl,OOQBJAINVWYZQR-UHFFFAOYSA-N,3,1,0.384,18,157,497.321,4.414,5,0.251,0.66,0.999,0.6745425262147899,0.7100609965046947,0.4509543554245768,0.5613991501610582,0.5992392570762799
EOS-3-55450,CC#Cc1cc(-c2nnc3cncc(-c4ccc(-c5ncco5)cc4F)n23)ccn1,OQHGUIDCSALWLQ-UHFFFAOYSA-N,3,1,0.309,96,478,396.385,4.019,5,0.429,0.71,1.0,0.3467291481049962,0.41144369817010484,0.7850044548009046,0.7224744705640463,0.566412942910013
EOS-3-55451,COc1nc(Cl)ccc1-c1cncc2nnc(-c3cnc(CC(C)C)nc3)n12,BCNBHPXJEXRLJK-UHFFFAOYSA-N,3,1,0.345,68,811,395.854,3.504,4,0.477,0.69,1.0,0.39026626002330206,0.41145226509492155,0.192515934480159,0.1409430470838188,0.28379437667055035
EOS-3-55452,Fc1cc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ccc(C(F)F)nc5)nc4)n23)ccn1,XUWLGIITDXVINZ-UHFFFAOYSA-N,3,1,0.348,32,20,496.456,5.449,6,0.293,0.64,0.728,0.3419830717565623,0.5416952230827222,0.8942584469878693,0.8666301144541155,0.6611417140703173
EOS-3-55453,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4[nH]c(-c5ncccn5)nc4-c4ccccc4)n23)cn1,MRHMDYDZCBVURF-UHFFFAOYSA-N,3,1,0.265,30,945,498.514,3.496,7,0.377,0.45,0.942,0.11051333013501473,0.06042252073195806,0.08773387704749504,0.11653587828113221,0.0938014015489
EOS-3-55454,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCCC#N)cc4)n23)c(Br)c1,ILJUHSIIWBDMRP-UHFFFAOYSA-N,3,1,0.381,0,862,504.348,3.224,4,0.389,0.82,1.0,0.30697005003084094,0.22877972722911383,0.40022102666027004,0.2641868274964019,0.30003940785415667
EOS-3-55455,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccnc(-c5cncs5)n4)n23)c(F)c1,XGQPYNMLWPRMFY-UHFFFAOYSA-N,3,1,0.463,56,8,500.523,3.701,6,0.323,0.67,1.0,0.46517545062024535,0.5096292234939346,0.11855767253786581,0.12106778150914947,0.3036075320402988
EOS-3-55456,N#Cc1ccc(-c2nnc3cncc(Cc4ccc(-c5cncs5)cn4)n23)cc1,NPIKHRIIOUCFDQ-UHFFFAOYSA-N,3,1,0.471,14,357,395.451,3.772,5,0.46,0.73,1.0,0.2940425604824892,0.32082276745939275,0.6263450071962169,0.6316393667329175,0.4682124254677541
EOS-3-55457,Fc1cc(Cl)c(-c2cccc(COc3cncc4nnc(-c5ccc(-c6nnco6)cc5)n34)c2)nn1,OWESBYGENPQYCI-UHFFFAOYSA-N,3,1,0.506,77,323,500.881,4.67,6,0.321,0.74,1.0,0.897668083064903,0.8136522513878418,0.6995236789801933,0.6979387978891097,0.777195702830512
EOS-3-55458,COc1ccc(F)cc1-c1nc(Cc2cncc3nnc(-c4ccc(Cl)c(C)c4)n23)ccc1Cl,ZDQAFQHTJMMKGD-UHFFFAOYSA-N,3,1,0.408,14,358,494.357,6.207,5,0.291,0.7,1.0,0.6267476526626002,0.714721403604962,0.9314560345418409,0.9378555273798918,0.8026951545473237
EOS-3-55459,Cc1ncc(F)cc1-c1cncc(-c2nnc3cncc(OCc4cc(-c5c[nH]nn5)ncc4F)n23)c1,DYNWVJPUVPUFIP-UHFFFAOYSA-N,3,1,0.381,2,422,498.457,3.594,6,0.366,0.48,0.998,0.5985110684668631,0.5512473442533068,0.6417569049414023,0.5867915153176616,0.5945767082448085
EOS-3-55460,CCc1nc(-c2nnc3cncc(OCc4scnc4C)n23)ccc1-c1ccc(-c2nnco2)cc1,YCQYGRFLXZRPAY-UHFFFAOYSA-N,3,1,0.384,81,117,496.556,4.81,6,0.307,0.59,0.51,0.33000651086286065,0.2237081077376465,0.15088067987115344,0.11654444520594888,0.20528493591940236
EOS-3-55461,Cc1c(Cl)cccc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1,HWPXSWZBZNXHSL-UHFFFAOYSA-N,3,1,0.361,62,302,497.961,6.118,6,0.317,0.85,1.0,0.3966914536358029,0.4384466451922418,0.8286015351929271,0.8856915221712014,0.6373577890480433
EOS-3-55462,Cc1ncc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5cnc(C(F)(F)F)cn5)c4)n23)nn1,CCCMJELRGBWZBX-UHFFFAOYSA-N,3,1,0.361,7,828,500.832,3.388,5,0.331,0.62,1.0,0.6097680076759646,0.6038996641765472,0.69953224590501,0.5773164964704269,0.6226291035569872
EOS-3-55463,Cc1nc(-c2ncsc2-c2ccc(-c3nnc4cncc(Cl)n34)cc2)no1,WWOYVZCSYVLPMC-UHFFFAOYSA-N,3,1,0.54,82,856,395.835,3.927,5,0.456,0.73,1.0,0.29927695154547324,0.39694846138030293,0.13559728599821808,0.23167534781714755,0.2658745116852854
EOS-3-55464,O=C(NC1CCOCC1F)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccc(F)cc5)n4)n23)cc1,LDCSOXKSRQOTAL-UHFFFAOYSA-N,3,1,0.328,52,331,502.485,3.035,6,0.393,0.64,1.0,0.10808032348708108,0.12758721129463368,0.4615002398738949,0.4797991912822973,0.29424174148447674
EOS-3-55465,Cn1cnnc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc6ccccc6n5C)nn4)n23)cc1,XKDKZWODXYHBRU-UHFFFAOYSA-N,3,1,0.365,67,755,501.514,3.723,7,0.347,0.67,1.0,0.4439808786238092,0.24911760674388322,0.13560585292303476,0.13412377492975122,0.2407070283051196
EOS-3-55466,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)O)cc4)n23)c(F)c(C)n1,CHIXBKMAKBAAOB-UHFFFAOYSA-N,3,1,0.575,90,555,393.378,3.219,4,0.555,0.82,1.0,0.6683572064971558,0.14935576725378658,0.5640206291549585,0.33769960934822835,0.4298583030635323
EOS-3-55467,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)c(F)c2)n1,DJADUNXNVKINBX-UHFFFAOYSA-N,3,1,0.412,0,451,501.497,4.463,6,0.369,0.71,1.0,0.5511274073058735,0.4205332054005894,0.46150880679871154,0.46783976423822904,0.4752522959358509
EOS-3-55468,Fc1ccc(F)c(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1F,DUNDWAQYWWFRDE-UHFFFAOYSA-N,3,1,0.553,23,708,396.781,4.503,4,0.476,0.7,1.0,0.8757367555342335,0.9103728325680214,0.9614659721746281,0.972303132067713,0.929969673086149
EOS-3-55469,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(C)nc5)n34)cn2)nc1,MJJDCMKZRDHYBK-UHFFFAOYSA-N,3,1,0.435,24,786,395.426,4.052,5,0.453,0.78,1.0,0.5075131930642177,0.33461551641422793,0.44737338085120965,0.3313086834349942,0.40520269344116233
EOS-3-55470,CN(C)CCNC(=O)c1cc(F)c(Cl)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,JBKKCLSXDUVAPG-UHFFFAOYSA-N,3,1,0.581,23,17,503.365,4.108,4,0.39,0.75,1.0,0.7411760674388321,0.6807449797820574,0.7020594887259269,0.67492803783154,0.6997271434445892
EOS-3-55471,COCn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cnn(C(F)F)c5)nc4)n23)nc1,KXZFWKPLCOYVRW-UHFFFAOYSA-N,3,1,0.257,70,813,500.473,3.974,6,0.324,0.63,0.991,0.1598588170790213,0.2287882941539305,0.5708484682338428,0.4678483311630457,0.3568359776574601
EOS-3-55472,NC(F)(c1ccc(-c2nnc3cncc(-c4ncn(-c5ccc(F)cc5)n4)n23)cc1)c1ccc(F)nc1,IQWBRGMEVXWFTP-UHFFFAOYSA-N,3,1,0.346,3,118,499.46,3.842,6,0.283,0.63,0.772,0.03276848742375437,0.29549893770132274,0.9486926872729765,0.9318672469330409,0.5522068398327736
EOS-3-55473,COc1ccc(-c2ncncc2-c2nnc3cncc(-c4nnc(-c5ccc(F)cc5F)s4)n23)cc1,DMEIXDYHYZUBPU-UHFFFAOYSA-N,3,1,0.364,3,641,500.494,4.721,6,0.335,0.74,0.432,0.38343842094441777,0.5096377904187512,0.5543571379617572,0.5898242067027619,0.509314389006922
EOS-3-55474,CCOC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(-c6ccccn6)nc5)ccn4)n23)cc1,UCQSCVJJLUVECM-UHFFFAOYSA-N,3,1,0.314,32,20,500.522,4.549,6,0.303,0.74,1.0,0.21008669727914467,0.12759577821945034,0.35902268521691455,0.26116270303611816,0.2394669659379069
EOS-3-55475,c1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccccn5)n34)c2)cc1,GTYWURFEYGHXMK-UHFFFAOYSA-N,3,1,0.554,11,198,394.438,3.87,5,0.435,0.84,0.999,0.5098862312384347,0.3969570283051196,0.41416798026180524,0.44257590295387567,0.4408967856898088
EOS-3-55476,N#Cc1ccc(-c2nnc3cncc(-c4ccsc4-c4ccccc4)n23)cc1F,NRDLVIPHKYUMJM-UHFFFAOYSA-N,3,1,0.39,96,3,397.438,5.198,5,0.42,0.78,1.0,0.35819169350969776,0.4868497704064149,0.9162411760674388,0.9334178603248577,0.6736751250771023
EOS-3-55477,Fc1cncc(-c2nnc3cncc(OCc4nc(-c5cccs5)no4)n23)c1,QFOUFZNTZWUHAH-UHFFFAOYSA-N,3,1,0.5,7,85,395.379,3.016,5,0.447,0.78,1.0,0.5511359742306902,0.5849838941813447,0.13265026386128434,0.1802480981426907,0.36225455760400244
EOS-3-55478,Cc1cc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cc4)n23)cc(-c2ccc(F)nc2)n1,JYSOACOSHWWKQG-UHFFFAOYSA-N,3,1,0.517,1,713,496.424,5.173,5,0.237,0.69,1.0,0.9293571379617572,0.9083424713864711,0.9815811116441642,0.9508601192515934,0.9425352100609965
EOS-3-55479,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cn1,ZXSWHOLLPMKNHQ-UHFFFAOYSA-N,3,1,0.675,90,636,392.394,2.306,4,0.541,0.89,1.0,0.6835720649715578,0.46483277362757863,0.34395346446439584,0.27274518538825304,0.4412758721129463
EOS-3-55480,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cccc(F)c4F)n23)s1,YVMVDRPYERRFGE-UHFFFAOYSA-N,3,1,0.338,22,844,395.398,3.594,5,0.467,0.69,1.0,0.207370982112261,0.3446902199986293,0.49591357686244947,0.5807775340963608,0.40718807826742515
EOS-3-55481,Cn1nc(-c2ccc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)nc2)nc1Cl,UQCSEHLMVMBYBL-UHFFFAOYSA-N,3,1,0.417,33,53,502.926,2.501,6,0.355,0.76,1.0,0.3510211774381468,0.4114608320197382,0.027739702556370364,0.03790007538893839,0.20703044685079844
EOS-3-55482,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5csc(Br)n5)n34)cnn2)c1,NZDWMCONHTVBRS-UHFFFAOYSA-N,3,1,0.449,87,778,499.329,3.623,5,0.349,0.51,0.999,0.6322047837708177,0.6087057089986978,0.2597662942910013,0.30961722979919126,0.452573504214927
EOS-3-55483,Cc1nc(-c2nnc3cncc(-c4cc(-c5cn(C)nn5)ccc4Cl)n23)n(C2CCC(F)(F)C2)n1,PQUPFFLSYVVKIV-UHFFFAOYSA-N,3,1,0.257,78,542,496.913,4.167,6,0.368,0.43,0.551,0.06946919333835926,0.22879686107874717,0.11264649441436501,0.34401343293811254,0.18873149544239598
EOS-3-55484,COc1cc(COc2cncc3nnc(-c4cnc(Cl)c(-c5cc(Cl)ccn5)c4)n23)c(F)cn1,PHERXIDMSUFIEF-UHFFFAOYSA-N,3,1,0.417,2,577,498.305,4.677,5,0.311,0.58,1.0,0.8301521485847441,0.8761222671509835,0.8286101021177438,0.8169590843670756,0.8379609005551368
EOS-3-55485,Cc1nn(C)c(F)c1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)c(Cl)c1,LIQYZYKWZXBYLW-UHFFFAOYSA-N,3,1,0.351,9,508,499.941,4.755,6,0.347,0.64,1.0,0.19336406003700912,0.33462408333904464,0.567593036803509,0.5742495373860599,0.4174576793914057
EOS-3-55486,Cn1nc2ccccc2c1-c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)nn1,SGEXJKDLKNPNDL-UHFFFAOYSA-N,3,1,0.308,30,541,500.501,4.398,7,0.35,0.61,0.218,0.18794976355287507,0.36881468028236586,0.37820402988143376,0.48286615036666436,0.35445865602083476
EOS-3-55487,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)cn1,OQRSUNQNUSPQGK-UHFFFAOYSA-N,3,1,0.517,90,636,393.382,1.701,4,0.497,0.81,1.0,0.5229165238845864,0.4065605510246042,0.14473819477760264,0.09277979576451237,0.29174876636282643
EOS-3-55488,Fc1ncccc1-c1ccnc(Cn2cnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)n1,GEOKKTNRLPAHHI-UHFFFAOYSA-N,3,1,0.333,86,243,501.436,3.422,6,0.316,0.67,0.125,0.22656946062641353,0.35909978754026456,0.3855287505996847,0.39228805428003566,0.3408715132615996
EOS-3-55489,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Br)n4)n23)c(F)c1,MFAFBNSJYOUEIG-UHFFFAOYSA-N,3,1,0.433,73,379,499.279,3.602,5,0.341,0.51,1.0,0.6439329038448358,0.6564234802275375,0.5574240970461243,0.5383969570283051,0.5990443595367007
EOS-3-55490,Fc1cccc(-n2ncnc2-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)n1,FQCCJQDGCPQXNV-UHFFFAOYSA-N,3,1,0.469,4,675,500.885,3.596,6,0.316,0.63,0.998,0.5511445411555068,0.7811236378589541,0.35551024604208076,0.4458399013090261,0.5334045815913919
EOS-3-55491,COc1nc(-c2ccc(F)cn2)ccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3F)n12,HQLSLSMJRDJEDH-UHFFFAOYSA-N,3,1,0.506,88,70,496.424,4.435,5,0.243,0.58,1.0,0.8992443972311699,0.8867281200740182,0.8906260708656021,0.8445617161263793,0.8802900760742923
EOS-3-55492,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)c(Cl)c1,AVPBXRKRQMNXQA-UHFFFAOYSA-N,3,1,0.505,37,908,499.337,4.532,5,0.304,0.63,1.0,0.7078678637516277,0.7768059077513536,0.6058871907340141,0.6779350284421904,0.6921239976697965
EOS-3-55493,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ccc6ccccc6n5)nn4)n23)cn1,PMECNKQGXSYHFT-UHFFFAOYSA-N,3,1,0.423,81,891,500.444,4.789,6,0.333,0.68,0.974,0.7560739496950175,0.6662411760674388,0.8749143307518333,0.7928774587074224,0.772526728805428
EOS-3-55494,N#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,YQTABDQZXUOCQN-UHFFFAOYSA-N,3,1,0.378,82,478,394.373,3.321,5,0.432,0.81,1.0,0.34199163868137894,0.4603694057980947,0.7712716743197862,0.7592437118771845,0.5832191076691111
EOS-3-55495,Cc1cn(C)c(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccnn6C)c(Cl)c5)n34)cc2)n1,OHBMVJWPADKBAM-UHFFFAOYSA-N,3,1,0.506,67,722,496.962,5.346,6,0.32,0.63,1.0,0.4233260228908231,0.48220649715578096,0.6237920636008498,0.5710283736549928,0.5250882393256117
EOS-3-55496,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NOCc5ccccc5)cc4)n23)cc1,CCWZDXBSSCHXPJ-UHFFFAOYSA-N,3,1,0.357,12,791,503.526,3.51,6,0.328,0.83,1.0,0.23194948941128093,0.10812315811116442,0.3817678706051676,0.31566547871975875,0.2593764992118429
EOS-3-55497,Fc1ccc(-c2nnc3cncc(-c4cncc(-c5nn[nH]n5)c4)n23)cc1Cl,JAJVCBGQKHTSJM-UHFFFAOYSA-N,3,1,0.363,22,649,393.773,2.826,5,0.501,0.77,1.0,0.35341134946199715,0.49632478925364953,0.6384757727366185,0.7491004728942499,0.5593280960866287
EOS-3-55498,Fc1ccc(-c2nnc3cncc(-c4nnn(-c5cncnn5)n4)n23)cc1Cl,PZGKHONSKRDVLG-UHFFFAOYSA-N,3,1,0.344,22,649,395.749,1.411,5,0.445,0.62,0.996,0.07534610376259337,0.27976149681310397,0.1020063737920636,0.2727537523130697,0.18246693167020767
EOS-3-55499,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5F)n34)nnc2Cl)cc1Cl,VESJRYVFVQWMNU-UHFFFAOYSA-N,3,1,0.588,19,570,499.308,5.455,5,0.309,0.76,1.0,0.9481529710095264,0.9602237680762113,0.9345058597765746,0.9615516414227949,0.9511085600712769
EOS-3-55500,Cc1nccc(Cl)c1-c1nc(Oc2cncc3nnc(-c4ccc(-c5ccnn5C)cn4)n23)n(C)n1,VELZGGNYRZKGCV-UHFFFAOYSA-N,3,1,0.306,6,549,499.926,3.531,6,0.35,0.57,0.995,0.3198033034062093,0.33961003358234526,0.08030635323144404,0.08006647933657735,0.204946542389144
EOS-3-55501,Fc1cncc(CCOc2cncc3nnc(-c4cc(F)c(-c5ccc(C(F)(F)F)nc5)cn4)n23)c1,UNJSQGUPPMBTFM-UHFFFAOYSA-N,3,1,0.548,18,429,499.403,4.562,5,0.316,0.59,1.0,0.934934206017408,0.8893324652182852,0.9727486121581796,0.9412908642313755,0.9345765369063121
EOS-3-55502,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ccc(C(F)F)cn5)cc4)n23)c(-c2ccccc2)n1,KRUGAAATGNCNTQ-UHFFFAOYSA-N,3,1,0.317,69,220,493.521,6.341,6,0.271,0.74,1.0,0.16559008978137207,0.23350866972791448,0.8403810568158454,0.8227417586183263,0.5155553937358646
EOS-3-55503,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)nn2)cc1,IZLNLBHUTVIGGG-UHFFFAOYSA-N,3,1,0.308,30,465,501.539,4.015,7,0.344,0.66,1.0,0.041027002947022134,0.07539750531149339,0.15088924679597013,0.2289253649509972,0.1240597800013707
EOS-3-55504,c1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnco6)o5)n34)cc2)o1,MNHXQAYSBLFMJT-UHFFFAOYSA-N,3,1,0.333,38,818,396.366,4.361,6,0.432,0.72,1.0,0.2402594064834487,0.16077547803440476,0.5898927421012953,0.542037900075389,0.3832413816736344
EOS-3-55505,Cn1cnnc1-c1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)o1,BLROCYVRSQMKIF-UHFFFAOYSA-N,3,1,0.28,98,193,501.514,3.704,7,0.346,0.61,1.0,0.06947776026317593,0.03816565005825509,0.15089781372078678,0.14807929545610307,0.10165512987458022
EOS-3-55506,CC(On1cc(-c2cncc3nnc(-c4ccc(-c5nncn5C)nc4)n23)nn1)c1ccc(F)c(F)c1,SEKSGYTVILDRKQ-UHFFFAOYSA-N,3,1,0.336,99,259,501.461,2.708,6,0.338,0.65,0.595,0.3788122815434172,0.4963333561784662,0.4788739634020972,0.4332550887533411,0.4468186724693304
EOS-3-55507,OCc1cc(-c2nnc3cncc(OCc4cnn(-c5ccc(C(F)(F)F)nc5)c4)n23)ccc1Cl,HQUZDTILHAJLNI-UHFFFAOYSA-N,3,1,0.484,27,51,501.856,4.116,5,0.373,0.7,0.998,0.5253923651566034,0.7005688438078267,0.9723459666917963,0.9334264272496745,0.7829334007264752
EOS-3-55508,CCOc1nnccc1-c1cncc2nnc(-c3ccc(CCCF)c(F)c3)n12,WSKLJTSACOVPBK-UHFFFAOYSA-N,3,1,0.364,63,999,396.401,3.688,4,0.474,0.58,1.0,0.6042851757932972,0.627116030429717,0.4473819477760263,0.43002535809745734,0.5272021280241245
EOS-3-55509,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4cncnc4-c4cncs4)n23)c(F)c1,XNIJTKDGCARTSN-UHFFFAOYSA-N,3,1,0.414,80,247,499.535,4.306,6,0.32,0.61,1.0,0.6745510931396066,0.5697262010828593,0.4002295935850867,0.35054999657323005,0.4987642210951957
EOS-3-55510,CCn1cc(-c2nnc3cncc(OCCc4ccccn4)n23)cc(-c2cnc(C3(F)CC3)cn2)c1=O,SORSDYJSQMRGLH-UHFFFAOYSA-N,3,1,0.51,87,796,498.522,3.405,6,0.32,0.52,0.891,0.3834469878692345,0.22371667466246317,0.10201494071688026,0.1558923308889041,0.21626773353437048
EOS-3-55511,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(C#N)c4)n23)c(Cl)n1,PMSHJVKQYIJKMP-UHFFFAOYSA-N,3,1,0.538,90,555,394.797,3.738,4,0.49,0.74,1.0,0.905583921595504,0.9013347268864369,0.8895380714138853,0.8882958673154684,0.8961881468028237
EOS-3-55512,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc5ccc(C#N)cn5c4)n23)cc1,ZTCYRHBECLFRRI-UHFFFAOYSA-N,3,1,0.354,62,124,393.41,2.942,5,0.508,0.79,1.0,0.30969433212254127,0.13432938112535125,0.6915907065999589,0.6284524707011171,0.4410167226372421
EOS-3-55513,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5cncc(Cl)c5)c4)n23)c1F,QQSMJMIJDIKGLF-UHFFFAOYSA-N,3,1,0.5,75,496,496.333,5.019,5,0.305,0.52,1.0,0.9055924885203207,0.8867366869988349,0.7828113220478377,0.8208484682338428,0.8489972414502089
EOS-3-55514,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(F)c(F)c4)n23)cc1,ATRPIPXQDPQTHG-UHFFFAOYSA-N,3,1,0.371,0,999,392.369,3.024,5,0.54,0.87,1.0,0.2773284901651703,0.22372524158727983,0.4994945514358166,0.5837588239325612,0.39607677678020703
EOS-3-55515,N#Cc1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,YKIHTAAETDVJIB-UHFFFAOYSA-N,3,1,0.361,82,478,394.373,3.321,5,0.432,0.8,1.0,0.32472071825097665,0.4560431087656775,0.7712802412446028,0.7592522788020012,0.5778240867658145
EOS-3-55516,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)nn5)ncc4Cl)n23)ccc1Cl,DUAMRUWYIMJZNF-UHFFFAOYSA-N,3,1,0.5,16,772,499.749,4.886,5,0.337,0.61,1.0,0.7762661914879035,0.8732266465629498,0.7528442190391337,0.8246693167020767,0.806751593448016
EOS-3-55517,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)cc1,YGKGHQLFBXKPOZ-UHFFFAOYSA-N,3,1,0.284,30,191,501.539,4.015,7,0.344,0.66,0.982,0.03968199575080529,0.08578061818929478,0.16648104996230553,0.21706017407991227,0.12725095949557946
EOS-3-55518,CCc1nc(-c2cc(-c3nnc4cncc(Oc5ccc(-c6cnn(C)c6)cn5)n34)ccc2Cl)no1,WTLNGWZFRNKGSB-UHFFFAOYSA-N,3,1,0.378,56,318,499.922,4.645,6,0.322,0.69,1.0,0.48247207182509766,0.6183606332670825,0.3037831539990405,0.2907956959769721,0.4238528887670482
EOS-3-55519,Fc1cnc(-c2ccc(Cl)cn2)cc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,JYNKSZYAOFUJLW-UHFFFAOYSA-N,3,1,0.684,59,996,498.852,5.221,5,0.304,0.66,1.0,0.9905592488520321,0.9884003837982318,0.9639846480707285,0.9561459118634775,0.9747725481461175
EOS-3-55520,c1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nccc(-c7nncs7)n6)cc5)n34)nn2)cc1,ULLPKBLXQLMZPP-UHFFFAOYSA-N,3,1,0.309,30,465,501.539,4.015,7,0.344,0.63,1.0,0.03277705434857104,0.03817421698307176,0.1569117949420876,0.2023850318689603,0.10756202453567268
EOS-3-55521,CCOc1ccc(-c2nnc3cncc(-c4nnc(-c5ccccc5)n4CC(F)(F)F)n23)cc1Cl,IOZNCVWJFYOKPH-UHFFFAOYSA-N,3,1,0.382,61,311,499.884,5.331,5,0.314,0.83,1.0,0.37661058186553353,0.5512559111781234,0.8192807209923926,0.812744157357275,0.6399728428483311
EOS-3-55522,Cc1ncc(-c2nnc3cncc(-c4cc(F)cnc4OC(F)(F)F)n23)s1,XMTNJEWHZLAJCU-UHFFFAOYSA-N,3,1,0.333,68,861,396.329,3.656,4,0.492,0.6,1.0,0.4873209512713316,0.5991364539784799,0.90016962511137,0.834898224933178,0.7053813138235898
EOS-3-55523,Clc1cc(-c2nnns2)ccc1COc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,IZOXLVWENNDZLK-UHFFFAOYSA-N,3,1,0.536,40,755,499.947,4.394,6,0.328,0.65,1.0,0.6896545815913919,0.6756819272154068,0.47521588650538005,0.5082499485984511,0.5872005859776575
EOS-3-55524,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nnc(Cl)cc5Cl)n34)c2)cn1,LOQDFLSRNMZFLI-UHFFFAOYSA-N,3,1,0.39,18,157,499.749,4.62,5,0.312,0.6,1.0,0.6128521006099651,0.6756904941402234,0.5543657048865739,0.722483037488863,0.6413478342814064
EOS-3-55525,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cn(C)nc5C)cnc4Cl)n23)cc1,MUECYBLEVYPIFQ-UHFFFAOYSA-N,3,1,0.469,89,398,502.966,3.877,5,0.336,0.8,0.999,0.4140480433143719,0.3346326502638613,0.3703738605989994,0.2344852991570146,0.3383849633335618
EOS-3-55526,COc1cc(C#N)cc(COc2cncc3nnc(-c4ccc(F)cc4F)n23)n1,FGACBGXBMWONAT-UHFFFAOYSA-N,3,1,0.561,90,708,394.341,2.924,4,0.513,0.71,1.0,0.822724624768693,0.8969484613803029,0.8503272565279967,0.7882513193064218,0.8395629154958537
EOS-3-55527,Cc1noc(-c2ccc(-c3nnc4cncc(Cc5ccc(-n6ccc([N+](=O)[O-])n6)nc5)n34)c(F)c2)n1,MPHPHDQBRXTWCM-UHFFFAOYSA-N,3,1,0.296,14,81,498.438,3.369,6,0.246,0.61,0.915,0.2535552737989171,0.2237338085120965,0.12679048728668357,0.06535706942635872,0.167359159756014
EOS-3-55528,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(-n6cnnn6)nc5)n34)cc2F)s1,ZTXWVMXMWZVHOK-UHFFFAOYSA-N,3,1,0.537,71,628,501.511,2.75,6,0.321,0.65,1.0,0.4580392022479611,0.43845521211705846,0.12410047289424989,0.1296775409499006,0.2875681070522925
EOS-3-55529,Cc1cc(C#N)ccc1-c1nnc2cncc(-c3ccc(-c4nnnn4C)cc3)n12,NVNLNDKPFQGBMH-UHFFFAOYSA-N,3,1,0.377,61,917,393.414,2.829,5,0.463,0.85,1.0,0.21009526420396135,0.18151600301555754,0.38920396134603524,0.4236686998834898,0.30112098211226096
EOS-3-55530,CC#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)cn1,LKRBGOHZEYIUFA-UHFFFAOYSA-N,3,1,0.575,90,255,395.344,3.554,4,0.495,0.64,1.0,0.9597011856623946,0.9492495373860599,0.9590243986018778,0.9378640943047084,0.9514598039887601
EOS-3-55531,FC(F)c1ccc(-c2nnc3cncc(CCc4ncc(-c5ncc(Cl)cc5Cl)nn4)n23)cn1,LSYPIMACHKQWGP-UHFFFAOYSA-N,3,1,0.351,85,243,500.3,4.463,5,0.336,0.63,0.951,0.465184017545062,0.6183692001918991,0.5066907682818176,0.6519001439243369,0.5605360324857789
EOS-3-55532,CCn1cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)cc(-c2cncc(Cl)c2)c1=O,WJJKDERCIORLIL-UHFFFAOYSA-N,3,1,0.457,2,390,499.383,4.982,5,0.328,0.67,1.0,0.38572578987046807,0.3829586731546844,0.5931653073812624,0.6779435953670071,0.5099483414433555
EOS-3-55533,Cc1cncc(OCc2cncc3nnc(-c4cccc(-c5ccnnc5)c4)n23)n1,ZFRZVDVGDBZLMY-UHFFFAOYSA-N,3,1,0.366,14,351,396.414,2.926,5,0.447,0.56,1.0,0.36264649441436503,0.23895723391131518,0.3220135700089096,0.2672709204304023,0.297722054691248
EOS-3-55534,FC(F)Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)ccn2)cn1,SQCZCMKXDPYGPM-UHFFFAOYSA-N,3,1,0.522,27,51,502.407,4.308,5,0.306,0.81,1.0,0.41184634363648825,0.46037797272291137,0.960001028030978,0.887019395517785,0.6798111849770407
EOS-3-55535,Fc1ncc(-n2nnc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)n2)cn1,NXRNTATTXYLQSH-UHFFFAOYSA-N,3,1,0.292,50,206,395.749,1.411,5,0.417,0.65,0.997,0.02544376670550339,0.14936433417860326,0.057544033993557675,0.15320231649647043,0.09638861284353369
EOS-3-55536,O=C(O)c1ccc(-c2nnc3cncc(-c4ccnnc4-c4ccccc4)n23)cc1,IRTHXPLQDNYWNO-UHFFFAOYSA-N,3,1,0.379,30,3,394.394,3.614,5,0.496,0.73,1.0,0.1573829758070043,0.01822184908505243,0.48596737715029814,0.4270098005619903,0.2721455006510863
EOS-3-55537,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5sncc5Br)n34)cn2)sc1C,VMSHAQJZGUDKBZ-UHFFFAOYSA-N,3,1,0.471,55,283,500.407,4.725,5,0.345,0.67,1.0,0.469878692344596,0.5557021451579741,0.05755260091837434,0.0577753409636077,0.28522719484613807
EOS-3-55538,COc1ccc(Cl)cc1COc1cncc2nnc(-c3cc(Cl)cc(-c4ncc(F)n4C)c3)n12,RZIASRQDTQGARF-UHFFFAOYSA-N,3,1,0.506,59,439,499.333,5.225,5,0.319,0.69,1.0,0.662420327599205,0.6756990610650401,0.8826245630868343,0.8681807278459325,0.772231169899253
EOS-3-55539,Clc1cc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)cnc1-c1ccccn1,CVLWHRJNTIAZTO-UHFFFAOYSA-N,3,1,0.512,84,559,498.761,5.225,5,0.317,0.63,1.0,0.8147659516140087,0.8761308340758002,0.72524158727983,0.8408608046055788,0.8142497943938044
EOS-3-55540,CCn1cncc1-c1cncc(-c2nnc3cncc(Cc4ccccc4C)n23)c1,BGUUICWGFHJUQB-UHFFFAOYSA-N,3,1,0.31,85,328,395.47,3.969,5,0.45,0.71,0.981,0.07729079569597697,0.0352357617709547,0.4437410047289425,0.38929819751901856,0.2363914399287232
EOS-3-55541,Clc1ccc(-c2nnc3cncc(OCc4ncn(-c5cnco5)n4)n23)nc1,IBKHFHHSOMWMFE-UHFFFAOYSA-N,3,1,0.387,46,128,395.77,1.987,5,0.439,0.64,1.0,0.21831094510314578,0.2641782605715852,0.08268795833047769,0.1296861078747173,0.17371581796998148
EOS-3-55542,Fc1ccc(-c2ccnc(Cl)c2)cc1-c1nnc2cncc(OCc3cn(-c4ncccn4)nn3)n12,RKWHMFSXKNPVKN-UHFFFAOYSA-N,3,1,0.472,97,247,500.885,3.596,6,0.316,0.67,1.0,0.17354876293605648,0.42054177232540607,0.40379343430882053,0.48287471729148107,0.37018967171544104
EOS-3-55543,Cc1ncc(-c2ccccc2)c(-c2nnc3cncc(-c4cnn(C5CC5)c4)n23)n1,KHHOVNFLIKEBAX-UHFFFAOYSA-N,3,1,0.266,82,336,394.442,3.755,6,0.461,0.82,1.0,0.03515009252278802,0.015180590775135358,0.05188129668974025,0.14320471523541908,0.06135417380577068
EOS-3-55544,Fc1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)c(OCc2ccc(F)c(F)c2)c1,CNNHBPDFMYBUKJ-UHFFFAOYSA-N,3,1,0.433,10,783,500.444,4.43,6,0.334,0.62,1.0,0.15459872524158727,0.42503084092934,0.889546638338702,0.8841237749297512,0.5883249948598451
EOS-3-55545,Cn1nccc1-c1ccc(-c2nnc3cncc(OC4CCCC4F)n23)c(F)c1,VTTVBLVNUJJVRN-UHFFFAOYSA-N,3,1,0.448,78,548,396.401,3.6,5,0.527,0.56,1.0,0.5783273935987938,0.6039082311013638,0.5640291960797752,0.6633969570283051,0.6024154444520595
EOS-3-55546,CC#Cc1ccc(COc2cncc3nnc(-c4cc(F)c(Cl)cn4)n23)cn1,ZXADBNBFJAEBTE-UHFFFAOYSA-N,3,1,0.488,90,244,394.797,3.324,4,0.494,0.68,1.0,0.7442173257487492,0.7896562949763553,0.7975892673565896,0.759260845726818,0.7726809334521281
EOS-3-55547,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cc(F)nc(Br)c4)n23)cs1,QOFJHFCEDJJPKV-UHFFFAOYSA-N,3,1,0.5,65,510,500.357,4.171,5,0.326,0.6,1.0,0.5728102940168597,0.4205503392502227,0.39281063669385236,0.36682715372489894,0.43824960592145845
EOS-3-55548,Fc1cc(Cl)cc(Oc2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cn2)c1,XCANCBBMYLXCPU-UHFFFAOYSA-N,3,1,0.688,88,732,496.329,6.046,5,0.273,0.75,1.0,0.914716263450072,0.9524107326434104,0.9358423000479748,0.9496693167020767,0.9381596532108835
EOS-3-55549,CCn1cc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,AWUCRPIPTNPXPK-UHFFFAOYSA-N,3,1,0.322,63,306,391.41,2.706,5,0.565,0.91,1.0,0.1105218970598314,0.16859708039202248,0.13886985127818519,0.19644815297100954,0.15360924542526216
EOS-3-55550,COc1cc(-c2cn(C)cn2)ccc1-c1nnc2cncc(OCc3cc(-c4ncc(F)nn4)n[nH]3)n12,JWDHMUBSOKSKDN-UHFFFAOYSA-N,3,1,0.358,71,375,499.47,2.494,6,0.347,0.47,0.669,0.4303766020149407,0.4160098690973888,0.21000959495579466,0.1384929065862518,0.29872224316359397
EOS-3-55551,Cc1ccc(-c2cc(F)cc(-c3cncc4nnc(-c5cnccc5C)n34)c2)nc1,YFZCHMPDCBIZFL-UHFFFAOYSA-N,3,1,0.304,96,478,396.429,4.671,5,0.443,0.68,1.0,0.237543691316565,0.285021588650538,0.7828198889726544,0.7644609690905353,0.5174615345075733
EOS-3-55552,Fc1cc(-c2nn[nH]n2)c(F)cc1COc1cncc2nnc(-c3ccc(-c4ncccc4F)nc3)n12,PKQCCAXHYKRDOG-UHFFFAOYSA-N,3,1,0.429,59,109,502.42,3.425,6,0.364,0.66,1.0,0.764829346857652,0.7425296415598657,0.6941265163456926,0.7034387636214104,0.7262310670961551
EOS-3-55553,Cn1cncc1-c1cc(C#N)cc(-c2nnc3cncc(Oc4cncnc4)n23)c1,JSVZJRDWPWCFPU-UHFFFAOYSA-N,3,1,0.391,26,361,395.386,2.646,5,0.455,0.65,1.0,0.48494791309711466,0.32539750531149336,0.5836731546843945,0.4950825851552327,0.47227528956205883
EOS-3-55554,O=C(NC1CCOCC1)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5F)cn4)n23)s1,SWMJBDGPTWKARQ-UHFFFAOYSA-N,3,1,0.293,33,432,502.535,3.42,6,0.363,0.72,0.856,0.07961243232129395,0.03818278390788842,0.037523130697005004,0.08887327804811185,0.061047906243574805
EOS-3-55555,COCCOc1nccc2cc(-c3nnc4cncc(-c5cn(-c6cccnn6)nn5)n34)cc(Cl)c12,ZYMRLZVBLHRUIX-UHFFFAOYSA-N,3,1,0.287,50,997,500.91,3.056,6,0.301,0.63,0.981,0.17919436639024056,0.2540778562127339,0.22374237543691317,0.26419539442121853,0.23030249811527653
EOS-3-55556,CNC(=O)c1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)nc(C)n2)cc1F,YOGWALZRMZFLNK-UHFFFAOYSA-N,3,1,0.429,44,531,502.485,3.211,5,0.337,0.68,1.0,0.44398944554862585,0.16464772805153863,0.44374957165375917,0.34086080460557877,0.3483118874648756
EOS-3-55557,CCc1cc(-c2nnc3cncc(-c4ccc(Cl)nc4CC)n23)cc(CF)n1,UDDHYIPAIWSTSI-UHFFFAOYSA-N,3,1,0.342,68,861,396.857,4.496,4,0.465,0.66,0.946,0.33001507778767736,0.4384637790418751,0.3743574806387499,0.39835343705023646,0.3852974436296347
EOS-3-55558,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cc(-c5nnnn5C)ccc4OC(F)F)n23)nc1,MHGNHEBMMYFVPZ-UHFFFAOYSA-N,3,1,0.326,99,866,502.449,2.441,6,0.334,0.66,0.855,0.3018041943663902,0.33464121718867795,0.26696251113700226,0.26727948735521895,0.2926718525118223
EOS-3-55559,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccc(F)c(Cl)n5)nc4)n23)cc1,IBXULGMKEADGAI-UHFFFAOYSA-N,3,1,0.494,41,870,498.909,5.234,6,0.3,0.7,1.0,0.7293708450414639,0.7331488588856144,0.727923034747447,0.711937153039545,0.7255949729285175
EOS-3-55560,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)nc5)n34)c(Cl)c2)nc1,COEPRYGKSDJZRN-UHFFFAOYSA-N,3,1,0.291,64,449,499.872,4.699,6,0.321,0.62,1.0,0.3395243643341786,0.4515626070865602,0.6753049825234734,0.764469536015352,0.5577153724898911
EOS-3-55561,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)nn2)cc1,MZOYREPOHQUCTL-UHFFFAOYSA-N,3,1,0.321,93,465,501.539,4.015,7,0.344,0.62,0.976,0.02545233363032006,0.07540607223631006,0.16017579329723802,0.23756939209101502,0.1246508978137208
EOS-3-55562,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6cscn6)cc5)n34)cn2)cc1,OQHGAOIVZDHIKE-UHFFFAOYSA-N,3,1,0.303,30,465,500.551,4.62,7,0.337,0.62,1.0,0.038054280035638405,0.08895894729627853,0.28554417106435476,0.35055856349804676,0.1907789904735796
EOS-3-55563,COc1ncc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5csnn5)cn4)n23)cc1Cl,SOFOPASEWMJDFX-UHFFFAOYSA-N,3,1,0.284,94,165,500.935,3.886,6,0.343,0.63,0.997,0.29131827839078883,0.36380302926461516,0.25977486121581794,0.2760263175930368,0.2977306216160647
EOS-3-55564,Fc1cc(Cl)cc(F)c1-c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cnn1,PMUGVQMLSMVRMD-UHFFFAOYSA-N,3,1,0.457,37,132,501.284,4.245,5,0.34,0.63,0.931,0.7848074155301213,0.9038020012336372,0.7433606332670825,0.8349067918579947,0.816719210472209
EOS-3-55565,O=C(c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)nc1)N1CCOCC1,QUAMLSIDNLTXCJ-UHFFFAOYSA-N,3,1,0.408,0,686,505.485,2.417,6,0.419,0.83,1.0,0.0982283599479131,0.06447467617024193,0.008566924816667808,0.04177232540607224,0.053260571585223765
EOS-3-55566,CCn1c(-c2cc(-c3nnc4cncc(Cl)n34)ccc2C(C)=O)nc(C)c1C,VYHFZVFMICQLQN-UHFFFAOYSA-N,3,1,0.543,78,792,394.866,4.148,4,0.486,0.74,0.956,0.14346172297991913,0.16078404495922144,0.11265506133918168,0.09085223768076212,0.1269382667397711
EOS-3-55567,Fc1ccc(COc2nc(-c3nnc4cncc(Cc5cnc(Cl)nc5)n34)ccc2Cl)cc1F,KOUJWHHBKJSEER-UHFFFAOYSA-N,3,1,0.398,59,294,500.296,4.731,5,0.312,0.69,0.99,0.629386265506134,0.7511137002261669,0.8694400657939826,0.885700089096018,0.7839100301555754
EOS-3-55568,Fc1cc(C(F)F)ccc1-c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ncn1,OALBKLOSFBMENG-UHFFFAOYSA-N,3,1,0.562,44,130,496.88,5.6,5,0.292,0.61,0.998,0.8976766499897197,0.9143735864574053,0.9644472620108286,0.965106915221712,0.9354011034199166
EOS-3-55569,Cn1cnnc1-c1cccc(-c2cncc3nnc(-c4ccc(-c5cc(C(F)(F)F)nn5C)cc4)n23)n1,KYPWPXCBMLKXEQ-UHFFFAOYSA-N,3,1,0.29,98,193,502.464,4.068,6,0.358,0.65,1.0,0.17355732986087313,0.26954972243163594,0.7147042697553286,0.5710369405798095,0.4322120656569118
EOS-3-55570,Cn1ncc(-c2cccc(-c3cncc4nnc(-c5cnc(CC#N)nc5)n34)n2)n1,MUHYHEWANNZPST-UHFFFAOYSA-N,3,1,0.28,50,974,395.39,1.505,5,0.443,0.63,0.32,0.10808889041189775,0.07885854293742718,0.05578781440614077,0.05622472757179083,0.07473999383181414
EOS-3-55571,Clc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5cnc(Cl)c(Cl)c5)c4)n23)c1,KKBJRTCRRIPNLQ-UHFFFAOYSA-N,3,1,0.511,75,490,498.761,5.225,5,0.296,0.67,0.996,0.8043742718113905,0.8326879583304777,0.8057107120827908,0.8730981426906997,0.8289677712288397
EOS-3-55572,Brc1ccc(-n2nnc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)n2)nc1,CGQULWQZGAMXBG-UHFFFAOYSA-N,3,1,0.317,8,927,502.361,4.32,6,0.354,0.69,1.0,0.061981701048591596,0.20366150366664382,0.19939517510794325,0.3247035844013433,0.19743549105613048
EOS-3-55573,Cn1c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnc1C#CC#Cc1ccc(Cl)nn1,HBLUVKAQKJBRFD-UHFFFAOYSA-N,3,1,0.505,36,677,501.337,3.604,5,0.347,0.61,1.0,0.7169145363580289,0.8558529230347475,0.6779007607429237,0.6573487081077376,0.7270042320608594
EOS-3-55574,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cccc(-n6ccc(C(F)(F)F)n6)n5)n34)cn2)n1C,PTVGANGAIMSCOE-UHFFFAOYSA-N,3,1,0.315,76,968,502.464,4.162,6,0.356,0.68,0.97,0.09119491467342883,0.21831094510314578,0.6779093276677404,0.5016962511137002,0.37227785963950377
EOS-3-55575,N#Cc1cc(Oc2cncc3nnc(-c4ccc(C(=O)O)cc4)n23)cnc1Cl,XPYBFYAJTIWNHC-UHFFFAOYSA-N,3,1,0.5,90,374,392.762,3.202,4,0.524,0.84,1.0,0.7261496813103968,0.5235504763210198,0.7456651360427661,0.6344835857720512,0.6574622198615585
EOS-3-55576,Cn1nnnc1-c1cccc(COc2cncc3nnc(-c4ccc(-c5n[nH]c(=O)n5C)c(F)c4)n23)n1,PUCZKBKJAXNYJO-UHFFFAOYSA-N,3,1,0.455,36,728,500.458,1.184,6,0.352,0.53,1.0,0.44399801247344256,0.42940853951065727,0.04039305051058872,0.048188952093756426,0.24049713864711125
EOS-3-55577,CCn1cncc1-c1ccc(-c2nnc3cncc(COC(=O)c4cc(F)c(F)c(F)c4)n23)c(F)c1,SQHZJEYKCJTPGL-UHFFFAOYSA-N,3,1,0.4,88,607,496.424,4.588,5,0.194,0.66,1.0,0.5305667877458707,0.48685833733123157,0.9068004249194709,0.8650623672126654,0.6973219793023095
EOS-3-55578,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c(Cl)c2)cn1,ZLGGDQKMMCVFHS-UHFFFAOYSA-N,3,1,0.489,37,490,500.296,4.85,5,0.308,0.69,1.0,0.8943698170104859,0.9336063326708245,0.8813652251387842,0.9108183126584881,0.9050399218696457
EOS-3-55579,CNC(=O)c1ccc(-c2nnc3cncc(CCc4cccc(Cl)c4)n23)cc1,SOYNKPBEWPGQKQ-UHFFFAOYSA-N,3,1,0.522,48,646,391.862,3.59,4,0.564,0.9,1.0,0.3604447947364814,0.4384723459666918,0.5640377630045919,0.5549139880748406,0.4794672229456514
EOS-3-55580,Fc1ccc(-n2nccn2)c(COc2cncc3nnc(-c4ccnc(-c5ccnc(Cl)c5)c4)n23)c1,XDQXLGLZHRWQNH-UHFFFAOYSA-N,3,1,0.463,97,183,499.897,4.201,6,0.314,0.6,1.0,0.4898567610170653,0.4603865396477281,0.6589335891988212,0.6808563498046741,0.5725083099170721
EOS-3-55581,COc1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5C)nc4)n23)cn1,YOJNNDMGKQUKEA-UHFFFAOYSA-N,3,1,0.345,96,204,394.438,4.232,5,0.454,0.82,1.0,0.2722740045233363,0.1991210335138099,0.602743129326297,0.49193852374751557,0.3915191727777397
EOS-3-55582,Cc1csc(COc2cncc3nnc(-c4ccnc(-c5cc(-c6cncn6C)ncc5F)c4)n23)n1,IYGJOKPWFWYXBO-UHFFFAOYSA-N,3,1,0.484,6,597,499.535,4.132,6,0.337,0.54,1.0,0.4464824206702762,0.42503940785415667,0.3108337331231581,0.2580700431773011,0.360106401206223
EOS-3-55583,O=C(NCCc1ccc(F)nc1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)cc1,AJBFPGXTSUMMSK-UHFFFAOYSA-N,3,1,0.423,14,319,503.488,4.221,5,0.319,0.82,0.942,0.28036118155027073,0.3346497841134946,0.7889966417654719,0.6604071002672881,0.5161036769241313
EOS-3-55584,Cc1n[nH]c(-c2cc(-c3cncc4nnc(-c5ccc(C#N)c(C)c5)n34)n(C)n2)n1,VTSGGHUIAFILPW-UHFFFAOYSA-N,3,1,0.333,74,542,396.418,2.465,5,0.496,0.54,1.0,0.07729936262079364,0.08237098211226099,0.20282194503461037,0.18555959152902474,0.13701297032417242
EOS-3-55585,CNC(=O)c1ccc(-c2nnc3cncc(COCc4ccc(Oc5ccccc5Cl)nn4)n23)nc1,IWPOBMCGPYURBW-UHFFFAOYSA-N,3,1,0.371,14,586,502.922,3.498,5,0.339,0.69,1.0,0.43038516893975737,0.392253786580769,0.29277465560962235,0.24342060174079913,0.33970855321773696
EOS-3-55586,Fc1ccc(F)c(-c2nnc3cncc(-c4cn(-c5ncccn5)nn4)n23)c1F,KAIFNEZUGIFOQW-UHFFFAOYSA-N,3,1,0.3,22,844,395.308,2.246,5,0.432,0.64,1.0,0.018264683709135768,0.19450346103762595,0.46865362209581246,0.5773250633952437,0.3146867075594545
EOS-3-55587,Cn1cc(Cl)nc1-c1ccc(Oc2cncc3nnc(-c4cccnc4-c4ccc(F)cc4)n23)nc1,UGQCQWCJPSAOMC-UHFFFAOYSA-N,3,1,0.378,41,318,498.909,5.234,6,0.321,0.65,1.0,0.6498783496676033,0.7238965800836132,0.6384843396614351,0.6634055239531218,0.6689161983414433
EOS-3-55588,c1ccc(-c2ccc(-c3nnc4cncc(-c5ccccc5-c5ccc(-c6nnco6)cn5)n34)cc2)cc1,PGMHDJSWJVIEMY-UHFFFAOYSA-N,3,1,0.352,21,810,493.53,6.237,7,0.28,0.61,1.0,0.22369954081282983,0.19000582550887535,0.7279316016722637,0.7540435885134672,0.47392013912685904
EOS-3-55589,Cc1ccc(-c2nnc3cncc(CCc4cnc(-c5ccncc5)nn4)n23)cc1,BVDQBCQYIBGGHE-UHFFFAOYSA-N,3,1,0.442,14,886,394.442,3.132,5,0.452,0.72,1.0,0.23484510999931466,0.1607926118840381,0.13265883078610102,0.16918819820437256,0.1743711877184566
EOS-3-55590,Cc1cnc(F)c(Oc2cncc3nnc(-c4cccc(-c5cnn(CC[SH](C)(=O)F)c5)c4)n23)c1,UQGMFXYHYLYQEG-UHFFFAOYSA-N,3,1,0.363,15,374,497.531,3.821,5,0.207,0.68,0.995,0.3045456103077239,0.2903159481872387,0.5273798917140703,0.46155164142279487,0.395948272907957
EOS-3-55591,Fc1cc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)cc(F)c1Cl,OGXDMMOTGXANIY-UHFFFAOYSA-N,3,1,0.28,64,885,498.884,5.304,6,0.304,0.65,0.991,0.312435748063875,0.45605167569049415,0.885031868960318,0.915230278939072,0.6421873929134398
EOS-3-55592,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(-c3ccnc(Cl)cc4n(C)c-4nn3)n12,UPJKFUFRQIFWHF-UHFFFAOYSA-N,3,1,0.327,98,765,499.926,3.307,6,0.34,0.52,0.998,0.09341374820094579,0.17300047974778973,0.12679905421150023,0.11655301213076553,0.12744157357275032
EOS-3-55593,Cc1nc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5nc(C)n(C)n5)c(F)n4)n23)c1Cl,HFPAOTUBQMPIBC-UHFFFAOYSA-N,3,1,0.378,31,223,500.325,4.019,5,0.333,0.6,0.999,0.4800219313275307,0.5055085326571174,0.2820488657391543,0.337708176273045,0.4013218764992118
EOS-3-55594,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(-n5ccnc5)cn4)n23)c(Cl)c1,MVSXRKLYASBJGF-UHFFFAOYSA-N,3,1,0.463,73,247,501.913,4.144,6,0.338,0.7,1.0,0.4626396408745117,0.5512644781029402,0.6641851141114385,0.6432047152354191,0.5803234870810774
EOS-3-55595,Clc1ncc(-c2nnc3cncc(-c4scnc4-c4ccccc4OCc4cccnc4)n23)cn1,HLDVHUISLORDSJ-UHFFFAOYSA-N,3,1,0.347,42,723,498.959,4.999,6,0.295,0.67,0.998,0.25602254814611747,0.39696559522993624,0.4615173737235282,0.4828832842162977,0.3993472003289699
EOS-3-55596,CCc1cnc(Cc2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)cn1,HZKGBIZNJBTDSI-UHFFFAOYSA-N,3,1,0.419,66,5,391.41,2.233,4,0.56,0.85,1.0,0.2992855184702899,0.2745613734493866,0.19252450140497568,0.12762147899390036,0.2234982180796381
EOS-3-55597,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)s1,WACXOVKFLDARQV-UHFFFAOYSA-N,3,1,0.538,47,164,394.395,2.751,5,0.488,0.71,1.0,0.7678963059420191,0.5744465766568433,0.2855527379891714,0.25807861010211774,0.47149355767253787
EOS-3-55598,Fc1ccc(-c2sc(-c3nnc4cncc(COCCOCc5ccccc5)n34)cc2F)cc1F,ZZXLOADOPVESKG-UHFFFAOYSA-N,3,1,0.406,19,570,496.514,5.671,5,0.246,0.74,1.0,0.39670002056061954,0.37815262833253377,0.904632992940854,0.9108268795833048,0.647578130354328
EOS-3-55599,Cc1ccc(-c2cc(Oc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5)n34)c3cccn3n2)nn1,HQYQEPIWSHSIIR-UHFFFAOYSA-N,3,1,0.371,52,310,503.526,3.889,7,0.363,0.75,0.889,0.41405661023918855,0.2745699403742033,0.13887841820300184,0.1559008978137208,0.2458514666575286
EOS-3-55600,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccc(-c6cccs6)nn5)ccn4)n23)cnc1F,MOACZFZJHHLUDK-UHFFFAOYSA-N,3,1,0.381,6,297,500.494,4.624,6,0.305,0.68,0.994,0.7293794119662805,0.5744551435816599,0.6417654718662189,0.6110701802480981,0.6391675519155644
EOS-3-55601,Clc1cc(Cn2ncc(-c3cncc4nnc(-c5ccc(-c6ccccn6)nc5)n34)n2)cc(Cl)n1,BWEKYSFNAYHUSG-UHFFFAOYSA-N,3,1,0.297,76,191,501.341,4.257,6,0.322,0.66,1.0,0.15184017545062026,0.1945120279624426,0.3555188129668974,0.4919470906723323,0.2984545267630731
EOS-3-55602,COc1ccc(-c2ncccc2-c2nnc3cncc(-c4cn(-c5cccc(Cl)c5F)nn4)n23)nc1,MPFUHXHTVCGUDJ-UHFFFAOYSA-N,3,1,0.307,10,37,499.897,4.297,6,0.345,0.55,0.98,0.06545130559934206,0.3053594681653074,0.5676016037283257,0.6047477897333973,0.3857900418065931
EOS-3-55603,COCCOc1cc(Cl)ccc1-c1nnc2cncc(-c3cc(-c4nc(C)cs4)ccc3F)n12,FMEWAYBMXYWWJN-UHFFFAOYSA-N,3,1,0.32,96,46,495.967,5.708,5,0.269,0.66,0.999,0.3902748269481187,0.5607309300253581,0.7781851826468371,0.7566736344321843,0.6214661435131246
EOS-3-55604,O=C(c1ccc(-c2cncc3nnc(-c4cc(F)c(-c5cncs5)cc4F)n23)cc1)N1CCOCC1,BJNVYOYXWWOVCI-UHFFFAOYSA-N,3,1,0.495,62,376,504.522,4.332,6,0.362,0.87,1.0,0.13545164827633474,0.11127578644369818,0.18586800082242477,0.37331231581111646,0.20147693783839354
EOS-3-55605,CCn1ncnc1-c1cc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)ccc1Cl,WGEWHTWGNDMCPY-UHFFFAOYSA-N,3,1,0.458,27,911,501.86,4.111,5,0.342,0.64,0.995,0.5587776711671578,0.7976235350558564,0.6238006305256665,0.5152833938729354,0.623871307655404
EOS-3-55606,Clc1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)cnn2)ncn1,SKDDKLAIYGYONX-UHFFFAOYSA-N,3,1,0.404,76,272,499.947,4.394,6,0.307,0.61,0.994,0.49467993968884927,0.4384809128915085,0.3333304776917278,0.3668357206497156,0.40833176273045024
EOS-3-55607,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c(F)c1-c1cncnn1,YOCUYYGMEAZQKN-UHFFFAOYSA-N,3,1,0.418,80,843,501.482,4.019,6,0.334,0.64,0.996,0.6469827290795696,0.5991450209032966,0.5306438900692207,0.5320145980398876,0.5771965595229935
EOS-3-55608,C#Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)cn1,HVJTYZXZOWNJRX-UHFFFAOYSA-N,3,1,0.37,82,336,394.373,2.826,5,0.434,0.71,1.0,0.35102974436296347,0.41601843602220545,0.6969364676855596,0.6924988006305257,0.5391208621753136
EOS-3-55609,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(-c5ccncn5)n4)n23)ccc1-c1ccsc1,FHJOAGVFNKSNBC-UHFFFAOYSA-N,3,1,0.38,41,318,497.515,5.312,6,0.305,0.58,1.0,0.8976852169145364,0.7147299705297786,0.6696593790692893,0.5678329106983757,0.712476869302995
EOS-3-55610,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5C)cc(C(F)(F)F)c4)n23)c(F)n1,KAVGOCIGKUHIQU-UHFFFAOYSA-N,3,1,0.447,1,676,494.452,5.602,5,0.234,0.62,1.0,0.9118035090124049,0.8991929956822698,0.9839455828935645,0.9475789870468097,0.9356302686587622
EOS-3-55611,Cc1nc(-c2cc(F)c(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cc2F)n(C)n1,RIEOSOFEFHELEL-UHFFFAOYSA-N,3,1,0.543,27,51,502.407,4.166,5,0.333,0.74,1.0,0.7531354944829004,0.797632101980673,0.9247052977863066,0.8408693715303954,0.8290855664450689
EOS-3-55612,CCCOc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cn1,JNOJKPDYBSCODP-UHFFFAOYSA-N,3,1,0.552,90,636,394.41,3.131,4,0.424,0.76,1.0,0.7322664656294976,0.7725995476663697,0.3665358782811322,0.2580871770269344,0.5323722671509834
EOS-3-55613,Cc1cnc(Cl)nc1-c1cc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)ncn1,BVYQNISOYZUXJQ-UHFFFAOYSA-N,3,1,0.376,53,52,500.832,3.388,5,0.331,0.58,0.702,0.6070951271331643,0.6757076279898567,0.6322304845452676,0.48894010006168187,0.6009933349324926
EOS-3-55614,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)ncc5Cl)n34)ccn2)cc1,KPZBWBHCMXTAIE-UHFFFAOYSA-N,3,1,0.602,11,595,497.773,5.83,5,0.275,0.73,1.0,0.9305479405112741,0.9422417928860256,0.9056695908436707,0.9452487834966761,0.9309270269344116
EOS-3-55615,Cn1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1ccc(C(F)(F)F)cn1,KVACAHDEWLJQNP-UHFFFAOYSA-N,3,1,0.43,95,493,500.872,4.276,5,0.321,0.63,1.0,0.5282708518950038,0.46920190528407923,0.9012833253375369,0.844570283051196,0.6858315913919539
EOS-3-55616,c1ccc(-c2csc(-n3nnc(-c4cncc5nnc(-c6ccc(-c7ccccn7)cc6)n45)n3)n2)cc1,HAKZQSISVLPMMX-UHFFFAOYSA-N,3,1,0.316,93,465,500.551,4.62,7,0.337,0.62,1.0,0.0439911589335892,0.09821122609827976,0.10997361387156467,0.19929237201014324,0.11286709272839421
EOS-3-55617,CCn1c(-c2ccnc(F)c2)nnc1-c1cncc2nnc(-c3cc(-c4nncn4C)ccc3Cl)n12,SFCOPBRYGJTXBN-UHFFFAOYSA-N,3,1,0.31,8,765,501.917,3.72,6,0.328,0.65,1.0,0.24026797340826536,0.4427129737509424,0.1447467617024193,0.27603488451785346,0.27594064834487014
EOS-3-55618,Cn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCc5cccc(F)c5)cc4)n23)cn1,WWNJEJAPWUKDAT-UHFFFAOYSA-N,3,1,0.471,62,3,504.529,4.323,6,0.362,0.85,1.0,0.36045336166129804,0.31569974641902543,0.6531080803234871,0.5614077170858749,0.47266722637242137
EOS-3-55619,Fc1cc(-c2nnc3cncc(-c4cccnc4OCCCC(F)(F)F)n23)ccc1-c1cncnc1,WHRRKVRIBQRDRC-UHFFFAOYSA-N,3,1,0.33,82,478,495.44,5.171,5,0.227,0.6,1.0,0.6590620930710712,0.7811322047837708,0.9162497429922555,0.8784353368514838,0.8087198444246453
EOS-3-55620,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C)c4COC)n23)cc1,OFPFUOCSGUUAGK-UHFFFAOYSA-N,3,1,0.327,63,437,391.435,2.088,4,0.54,0.88,1.0,0.10054999657323008,0.029256048248920568,0.09690905352614626,0.037908642313755056,0.06615593516551299
EOS-3-55621,Cc1nc(C(F)(F)F)ncc1COc1cncc2nnc(-c3cncs3)n12,CCJYIOXUNQPXPN-UHFFFAOYSA-N,3,1,0.494,68,127,393.354,2.944,4,0.526,0.72,1.0,0.5282794188198204,0.47352820231649645,0.557432663970941,0.3377167431978617,0.4742392570762799
EOS-3-55622,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)cc1-n1ccnn1,AHAZBQZXSOALJY-UHFFFAOYSA-N,3,1,0.459,6,801,499.897,4.201,6,0.335,0.53,1.0,0.3124443149886917,0.4822150640805976,0.6859879377698581,0.7171629771777123,0.549452573504215
EOS-3-55623,CCCCc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(OC)nc5)c(F)c4)n23)ncn1,KSVNXVVSDWKQJV-UHFFFAOYSA-N,3,1,0.469,15,771,499.55,4.755,5,0.271,0.68,1.0,0.7046809677198272,0.7511222671509835,0.3220221369337263,0.2520731958056336,0.5074746419025427
EOS-3-55624,Cc1cnc(Cl)c(COc2ncccc2-c2nnc3cncc(-c4cccc(-c5cocn5)c4)n23)c1,CSYYKKMEICKEQL-UHFFFAOYSA-N,3,1,0.287,28,299,495.93,5.444,6,0.281,0.54,1.0,0.46988725926941266,0.43848947981632513,0.635211774381468,0.6079860873140978,0.5378936501953259
EOS-3-55625,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(C(F)(F)F)nc5)n4)n23)cn1,GAVQXIBQNLOUPU-UHFFFAOYSA-N,3,1,0.407,29,849,504.436,3.011,6,0.383,0.71,0.924,0.32727366184634366,0.33961860050716197,0.33333904461654446,0.2908042629017888,0.32275889246795975
EOS-3-55626,Cc1cc(-c2nnc3cncc(OCCc4c(Cl)nc(CF)n4C)n23)cc(-c2cnc(C)s2)n1,QMKYBBMIQZYWCF-UHFFFAOYSA-N,3,1,0.454,31,661,498.975,4.405,5,0.328,0.54,1.0,0.4051041738057707,0.47814577479268044,0.06965766568432595,0.08703138921252827,0.25998475087382633
EOS-3-55627,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccnc4OC)n23)c(F)c1,XYHPBCCJJYFVJW-UHFFFAOYSA-N,3,1,0.37,0,999,392.394,2.751,4,0.561,0.77,1.0,0.42103008703995615,0.3781611952573504,0.34396203138921255,0.20538345555479406,0.3371341923103283
EOS-3-55628,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4cnn(C(F)F)n4)n23)cc1,OSXOTNQBURYDNB-UHFFFAOYSA-N,3,1,0.333,50,542,394.349,2.24,5,0.46,0.68,1.0,0.12133335617846618,0.17300904667260641,0.20283051195942706,0.18556815845384142,0.17068526831608527
EOS-3-55629,Cc1nnc(-c2ccnc(Oc3cncc4nnc(-c5ccc(Cl)c(-c6ccncc6)c5)n34)n2)s1,XOLJONJMXNZEDM-UHFFFAOYSA-N,3,1,0.389,6,870,499.947,4.916,6,0.326,0.65,0.947,0.5200209032965527,0.6466914536358029,0.28556130491398807,0.33772531012267837,0.4474997429922555
EOS-3-55630,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4ccc(C(=O)NCc5cccc(F)c5)cc4)n23)c1,HMNKVZVRDHAMFQ-UHFFFAOYSA-N,3,1,0.471,62,791,505.517,3.718,6,0.367,0.88,1.0,0.3247292851757933,0.32083133438420947,0.45096292234939345,0.4332636556781578,0.38244679939688847
EOS-3-55631,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(C(F)(F)F)cn5)ncn4)n23)cn1,PGGXWGNVMCADNZ-UHFFFAOYSA-N,3,1,0.469,27,69,500.391,4.574,5,0.312,0.63,0.882,0.6776951545473237,0.7811407717085875,0.9761925159344802,0.930008224247824,0.8412591666095539
EOS-3-55632,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc(Cl)n2)nc1F,NHYUANATWMKZSE-UHFFFAOYSA-N,3,1,0.457,58,132,501.284,4.245,5,0.318,0.61,0.835,0.8670670276197656,0.8840124049071345,0.67531354944829,0.7592694126516346,0.7964155986567061
EOS-3-55633,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccc(F)c(Cl)c5)c4)n23)c1,DWFFRUVPNHOKEK-UHFFFAOYSA-N,3,1,0.595,88,485,498.32,6.06,5,0.285,0.78,1.0,0.9815896785689808,0.9734253992186964,0.9764837913782468,0.9855647316839148,0.9792659002124597
EOS-3-55634,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)c(F)cn5)n34)cnc2Cl)ccn1,IAIIKHSWQPJAQB-UHFFFAOYSA-N,3,1,0.479,87,307,500.296,4.85,5,0.308,0.64,1.0,0.9187855527379891,0.9409567541635254,0.9001781920361867,0.9217325748749229,0.920413268453156
EOS-3-55635,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5cnc(Cl)c(-c6cccnn6)n5)n34)cc2F)c1,VPSRLRTVFODQBD-UHFFFAOYSA-N,3,1,0.311,10,572,499.872,4.699,6,0.343,0.52,0.923,0.3272822287711603,0.505517099581934,0.6668922623535056,0.7882598862312384,0.5719878692344595
EOS-3-55636,CCn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc(Cl)n1,XTURGBSOUOBPIH-UHFFFAOYSA-N,3,1,0.469,65,262,499.337,4.532,5,0.304,0.56,1.0,0.6653844835857721,0.5946131176752792,0.5306524569940374,0.5837673908573778,0.5936043622781166
EOS-3-55637,Fc1cc(-c2nnc3cncc(OCc4cncs4)n23)cnc1-c1ccco1,WDYKFKVZKHPXEV-UHFFFAOYSA-N,3,1,0.464,55,283,394.391,3.621,5,0.45,0.8,1.0,0.695685696662326,0.6467000205606196,0.41054417106435476,0.41101535192927147,0.540986310054143
EOS-3-55638,Fc1cncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1Oc1ncc(Cl)cn1,INHHDIUGBXTSNJ-UHFFFAOYSA-N,3,1,0.444,2,930,500.828,4.473,5,0.319,0.63,0.998,0.9227606058529231,0.8814080597628675,0.8212425467754095,0.7385545884449318,0.840991450209033
EOS-3-55639,Cc1ccc(F)c(NC(=O)c2ccc(-c3nnc4cncc(-c5ccc(-c6cccnn6)nc5)n34)cc2)c1,SJMCIRWCIWPIHO-UHFFFAOYSA-N,3,1,0.394,30,270,502.513,5.01,6,0.353,0.73,1.0,0.12134192310328284,0.14173120416695223,0.6859965046946748,0.5898327736275787,0.3847256013981222
EOS-3-55640,Fc1nnc(Cl)cc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)nc1,XZHOYFIMNQASLG-UHFFFAOYSA-N,3,1,0.412,37,814,501.284,4.245,5,0.34,0.57,0.996,0.7762747584127202,0.8136608183126585,0.7304160098690974,0.7995596600644232,0.7799778116647249
EOS-3-55641,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)ns5)n34)c(F)c2)nc1,RSWJVXYXWGLAMF-UHFFFAOYSA-N,3,1,0.472,40,857,500.494,4.624,6,0.326,0.67,1.0,0.5869114522650949,0.6906312110204921,0.3965286820642862,0.45522068398327736,0.5323230073332876
EOS-3-55642,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccccc5Cl)n34)nn2)n(-c2ncccc2Cl)n1,KYZJOXHDYGJWET-UHFFFAOYSA-N,3,1,0.373,10,541,501.341,4.506,6,0.347,0.62,0.179,0.03144918100198753,0.24418305804948257,0.16962511137002262,0.382710232335001,0.20699189568912343
EOS-3-55643,Clc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Cl)c(Cl)c5)n34)c2)n1,RKJVDJKHTRSVTP-UHFFFAOYSA-N,3,1,0.639,84,360,497.773,5.83,5,0.275,0.72,1.0,0.8715989308477828,0.8946353916798027,0.9154016174354054,0.9460112398053595,0.9069117949420876
EOS-3-55644,COC(O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cncc(CO)c5)ncn4)n23)c(F)n1,JGESNBDNQVJULB-UHFFFAOYSA-N,3,1,0.389,7,354,490.455,1.886,5,0.242,0.33,0.693,0.6042937427181139,0.5849924611061613,0.6475824138167363,0.45218799259817694,0.5722641525597971
EOS-3-55645,Cc1nn(C)cc1-c1ccnc(COc2cncc3nnc(-c4ccc(C(=O)NCC(F)F)cc4)n23)c1,XSQJLYOUKWJYBK-UHFFFAOYSA-N,3,1,0.5,89,398,504.501,3.469,5,0.344,0.79,0.905,0.34433040915632923,0.21335069563429512,0.5574412308957577,0.3505671304228634,0.3664223665273114
EOS-3-55646,c1ccc(-c2csc(-n3nnc(-c4cncc5nnc(-c6ccc(-c7cccnc7)cc6)n45)n3)n2)cc1,UGQQUPZEHQQXPN-UHFFFAOYSA-N,3,1,0.314,93,465,500.551,4.62,7,0.337,0.61,1.0,0.03969056267562196,0.09516140086354602,0.13561441984785141,0.24342916866561579,0.1284738880131588
EOS-3-55647,Cc1cncnc1-c1nc(Cl)ccc1-c1nnc2cncc(OCc3nc4ccccc4cc3F)n12,DCFAQIPOPJMMAQ-UHFFFAOYSA-N,3,1,0.385,28,891,498.909,4.871,6,0.31,0.59,0.999,0.8350609965046947,0.8705623329449661,0.4959221437872661,0.5742581043108765,0.6939508943869508
EOS-3-55648,Fc1cc(-c2cnsc2)ccc1-c1cncc2nnc(-c3cc(-c4cncs4)ccc3Cl)n12,GREVTXPOQWBUNK-UHFFFAOYSA-N,3,1,0.361,41,192,490.976,6.498,6,0.282,0.61,1.0,0.2940511274073059,0.4822236310054143,0.9012918922623535,0.9311133575491741,0.6521700020560619
EOS-3-55649,Cc1cccc(-c2nnc3cncc(OCc4cc(Cl)nc(-c5cc(C(F)(F)F)nn5C)c4)n23)c1,HVVKHAAERXFNOW-UHFFFAOYSA-N,3,1,0.484,27,97,499.884,5.146,5,0.311,0.67,1.0,0.5672417928860256,0.6517116715783702,0.9385151805907751,0.8681892947707491,0.75641448495648
EOS-3-55650,Cn1nc(C(F)F)nc1-c1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cn1,PKSJCERZOUWKQC-UHFFFAOYSA-N,3,1,0.485,87,779,501.86,3.728,5,0.332,0.63,0.967,0.6624288945240216,0.7147385374545953,0.3892125282708519,0.41732917551915566,0.5459272839421561
EOS-3-55651,Cn1cnnc1-c1ccc(F)c(-c2cncc3nnc(-c4nccnc4-c4cc(Cl)ccc4F)n23)n1,OQTSPMJIBBSFEQ-UHFFFAOYSA-N,3,1,0.278,39,972,502.876,4.037,6,0.355,0.67,0.767,0.18795833047769173,0.29032451511205537,0.40023816050990335,0.5678414776231924,0.3615906209307107
EOS-3-55652,Fc1cc(-c2ccncc2Cl)ccc1-c1nnc2cncc(OC3Cc4c(Cl)cccc4O3)n12,YEHBOYIJSFJELO-UHFFFAOYSA-N,3,1,0.441,88,222,494.313,5.639,6,0.322,0.43,1.0,0.9456942635871428,0.9304622712631074,0.9747618394900966,0.9821379617572477,0.9582640840243986
EOS-3-55653,Cc1cc(-n2cc(-c3cncc4nnc(-c5cc(Cl)c(Cl)c(-c6cnccn6)c5)n34)cn2)ccn1,XKKXFFRDLIHKCY-UHFFFAOYSA-N,3,1,0.288,42,151,500.353,5.111,6,0.332,0.62,1.0,0.014829346857651977,0.15702316496470428,0.7641953944212185,0.795207662257556,0.4328138921252827
EOS-3-55654,Fc1cc(Cl)ccc1-c1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)cn4)n23)cn1,LTQNTCGVLKCWBR-UHFFFAOYSA-N,3,1,0.398,12,492,494.917,6.5,6,0.272,0.74,1.0,0.820017476526626,0.8992015626070866,0.9142450825851552,0.9268812966897403,0.890086354602152
EOS-3-55655,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4cnc(-c5nnnn5C)cc4F)n23)ccc1F,SILDZTUACMDKGL-UHFFFAOYSA-N,3,1,0.479,36,728,502.449,2.03,6,0.332,0.6,0.993,0.5200294702213694,0.5189243369200192,0.227511822356247,0.2611712699609348,0.38190922486464257
EOS-3-55656,CCn1nc(C)nc1-c1ccc(-c2cncc3nnc(-c4ccc(OC(F)(F)F)c(Cl)c4)n23)cc1,WJZSXZJQIYHIJR-UHFFFAOYSA-N,3,1,0.379,61,121,499.884,5.597,5,0.313,0.78,1.0,0.43238982934685766,0.5512730450277569,0.8979936262079364,0.8666386813789322,0.6870737954903707
EOS-3-55657,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)c(F)c5)n34)cc(Cl)n2)cc1F,JIRBZJDYDIFQDX-UHFFFAOYSA-N,3,1,0.622,59,294,500.296,5.116,5,0.31,0.65,0.934,0.9072716057843876,0.8705708998697828,0.8883901034884518,0.9120262490576383,0.894564714550065
EOS-3-55658,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nncc(Cl)c6Cl)cc5)n34)cc2)nn1,CDVOCGQOZZDKIM-UHFFFAOYSA-N,3,1,0.316,9,764,500.353,5.018,6,0.335,0.61,1.0,0.16559865670618876,0.23896580083613186,0.6941350832705092,0.7764974984579536,0.4687992598176959
EOS-3-55659,Fc1ccsc1COc1cncc2nnc(-c3ccc(-c4nnco4)cc3)n12,HHWRRBPDKBXVSY-UHFFFAOYSA-N,3,1,0.531,72,22,394.391,3.621,5,0.45,0.77,1.0,0.8200260434514427,0.7684531560551024,0.509980467411418,0.4828918511411144,0.6453378795147694
EOS-3-55660,O=C(c1ccc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)cc1)N1CCc2ccsc2C1,XCTJJYQPURNVTD-UHFFFAOYSA-N,3,1,0.388,52,357,502.55,4.975,6,0.339,0.75,1.0,0.15460729216640395,0.19912960043862654,0.3108423000479748,0.42701836748680694,0.27289939003495306
EOS-3-55661,O=C(NCCO)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(-c5cccnc5F)c4)n23)cc1,RVEAVGIOAKFJFB-UHFFFAOYSA-N,3,1,0.469,89,656,503.469,2.828,5,0.31,0.77,1.0,0.5985196353916798,0.15320231649647043,0.6503323966828867,0.5051401548900006,0.47679862586525945
EOS-3-55662,CCCCOc1cncc2nnc(-c3ccc(-c4cn(CC)nc4C)cc3F)n12,DZFOFRKVYPJBBM-UHFFFAOYSA-N,3,1,0.522,78,548,394.454,4.301,4,0.437,0.81,1.0,0.38345555479405113,0.4560602426153108,0.19588273593310945,0.1746281954629566,0.302506682201357
EOS-3-55663,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ncnc(-c5c(Cl)cccc5Cl)n4)n23)nc1,TUFALTVUZFVFJC-UHFFFAOYSA-N,3,1,0.311,29,849,504.341,3.904,6,0.382,0.7,0.955,0.2127424439723117,0.24912617366869988,0.13562298677266807,0.33131725035981086,0.23220221369337263
EOS-3-55664,Cc1nc(-c2nnc3cncc(-c4ccc(-c5cccnn5)s4)n23)sc1F,KMUOIGWALWJMLT-UHFFFAOYSA-N,3,1,0.308,76,272,395.448,3.881,5,0.461,0.62,0.903,0.10809745733671441,0.1532108834212871,0.08774244397231169,0.13850147351106848,0.12188806456034543
EOS-3-55665,CCn1nc(-n2cc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5)n34)nn2)nc1-c1ccccc1,DMDICNUZOTXNOO-UHFFFAOYSA-N,3,1,0.312,25,465,501.518,3.103,7,0.363,0.55,1.0,0.030087039956137346,0.024390034953053252,0.026566033856486874,0.040367349736138716,0.030352614625454046
EOS-3-55666,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCc5ccc(Cl)nc5)s4)n23)cc1,IPEOSACFZJUFFT-UHFFFAOYSA-N,3,1,0.364,62,139,503.975,3.858,5,0.34,0.76,1.0,0.3220992392570763,0.31052532382975806,0.3333476115413611,0.23449386608183126,0.3001165101775067
EOS-3-55667,Cc1nnc(-c2cccc(-c3ncccc3-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)n2)s1,KRDBPCRYSLRZIF-UHFFFAOYSA-N,3,1,0.341,76,935,499.51,5.075,6,0.323,0.56,0.379,0.1879668974025084,0.3541138372969639,0.407494345829621,0.3952265094921527,0.3362003975053115
EOS-3-55668,FC(F)(F)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)nn1,WJSCCDGEIFEURK-UHFFFAOYSA-N,3,1,0.311,68,455,393.72,2.029,4,0.52,0.6,0.978,0.272282571448153,0.3781697621821671,0.5997447056404633,0.5482574874922898,0.4496136316907683
EOS-3-55669,CCOc1cc(F)cc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)c1,DHTRBRYTBDGOFA-UHFFFAOYSA-N,3,1,0.467,48,646,391.406,3.019,4,0.545,0.86,1.0,0.5486087314097732,0.45606880954012746,0.6531166472483038,0.5117366869988349,0.5423827187992598
EOS-3-55670,Cc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1C(N)=O,MYEIRWLJSKVYKO-UHFFFAOYSA-N,3,1,0.631,90,636,392.394,2.354,4,0.505,0.79,1.0,0.6267562195874169,0.21831951202796243,0.447390514700843,0.32471215132615994,0.40429459941059553
EOS-3-55671,O=C(c1ccc(-c2nnc3cncc(-c4nnc(-c5ccnc(Cl)c5)s4)n23)cc1)N1CCOCC1,LQYGMUXZPGZBDV-UHFFFAOYSA-N,3,1,0.466,52,229,504.963,3.498,6,0.342,0.87,1.0,0.02791960797752039,0.056550270714824206,0.008121444726201082,0.042894592557055716,0.03387147899390035
EOS-3-55672,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)c(F)c5)n34)cc(Cl)n2)c1,DPLLHCVEHFSAJO-UHFFFAOYSA-N,3,1,0.651,88,360,499.308,5.455,5,0.289,0.67,1.0,0.9765009252278802,0.9582876430676445,0.9487012541977932,0.9634363648824618,0.9617315468439449
EOS-3-55673,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(OC)cn4)n23)cc1,QOYHNTBORBXSKN-UHFFFAOYSA-N,3,1,0.506,89,12,391.391,1.528,4,0.526,0.87,1.0,0.45591460489342744,0.1772411075320403,0.15090638064560347,0.03923651566033857,0.20582465218285245
EOS-3-55674,Fc1ccc(-c2cnc(C(F)(F)F)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,WYXQGUICKLVEBO-UHFFFAOYSA-N,3,1,0.585,34,679,501.831,5.034,5,0.312,0.76,1.0,0.9716006442327462,0.9774775546569804,0.9666832293879789,0.9475875539716263,0.965837245562333
EOS-3-55675,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cc(C(F)F)cnc4Cl)n23)nn1C,JNRQGOXCPFACKD-UHFFFAOYSA-N,3,1,0.369,31,569,499.913,4.016,5,0.297,0.55,0.966,0.29929408539510655,0.27457850729901995,0.5239188540881365,0.48290041806593104,0.39517296621204856
EOS-3-55676,N#Cc1ccnc(-c2cccc(COc3cncc4nnc(-c5cccc(-c6ccnnc6)c5)n34)c2)c1F,UUZOZSPEZYARMJ-UHFFFAOYSA-N,3,1,0.454,77,177,500.497,4.9,6,0.317,0.62,1.0,0.7501456377218834,0.7191676375848125,0.882633130011651,0.8518007675964636,0.8009367932287026
EOS-3-55677,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(CC#N)nc5)n34)nc2)cn1,OEGGGANQIOEQPH-UHFFFAOYSA-N,3,1,0.346,82,974,393.414,2.715,5,0.461,0.75,1.0,0.11625316976218217,0.11406860393393188,0.4509714892742101,0.39523507641696937,0.2691320848468234
EOS-3-55678,O=C(NC1CCCC1F)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cc1F,FPUIDWPWLWEVIX-UHFFFAOYSA-N,3,1,0.37,66,685,503.435,3.95,5,0.414,0.56,0.995,0.3372883969570283,0.37817832910698373,0.8286186690425604,0.7952162291823727,0.5848254060722362
EOS-3-55679,CC(=O)c1ccc(-c2ccc(-c3nnc4cncc(-c5cccnn5)n34)nc2)cc1,DFMOFOGRXGYLNX-UHFFFAOYSA-N,3,1,0.304,96,523,393.41,3.513,5,0.431,0.83,1.0,0.07344424645329313,0.026617435405386882,0.4075029127544377,0.347277431293263,0.21371050647659517
EOS-3-55680,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cc(-c5ccc(Cl)c(F)c5)ncn4)n23)c1,WBKNAYXGFSAOFC-UHFFFAOYSA-N,3,1,0.463,44,130,500.296,4.85,5,0.308,0.59,0.992,0.9187941196628059,0.8761394010006168,0.8873106709615517,0.9227263381536563,0.9012426324446576
EOS-3-55681,COc1ncc(Cl)cc1-c1cc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccc1Cl,YKRZCUUPFGGPPB-UHFFFAOYSA-N,3,1,0.353,14,358,497.773,5.808,5,0.285,0.68,1.0,0.4440065793982592,0.6320934137482009,0.9013004591871702,0.922734905078473,0.7250338393530258
EOS-3-55682,CCn1cncc1-c1cc(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)nc(C(F)F)n1,LROUPAAFSXEJBS-UHFFFAOYSA-N,3,1,0.306,50,584,502.449,3.375,6,0.344,0.62,0.997,0.5282879857446371,0.5055256665067507,0.18908916455349187,0.1187718456582825,0.33541866561579053
EOS-3-55683,Cn1c(-c2cc(F)nc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c2)nc2ccccc21,GHYZUZBEQSSQJF-UHFFFAOYSA-N,3,1,0.412,11,429,500.925,4.549,6,0.309,0.63,1.0,0.6777037214721403,0.5466126379274896,0.49950311836063327,0.5710455075046261,0.5737162463162224
EOS-3-55684,COc1ncc(-c2cc(C(F)(F)F)nn2C)cc1COc1cncc2nnc(-c3ccc(F)nc3)n12,SJPHCSNVKGZDBV-UHFFFAOYSA-N,3,1,0.43,27,69,500.416,3.727,5,0.257,0.66,1.0,0.5511531080803235,0.5899355767253787,0.8826416969364677,0.6779521622918238,0.6754206360084984
EOS-3-55685,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1)N1CCc2c(Cl)cccc2C1,MUZMGQJUYSSQAL-UHFFFAOYSA-N,3,1,0.444,62,504,500.389,5.964,6,0.307,0.85,1.0,0.29930265231992326,0.46039510657254473,0.593173874306079,0.8208570351586595,0.5434321670893016
EOS-3-55686,CCn1nc(C)c(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)c1C,DXZIOZIMUKLLEN-UHFFFAOYSA-N,3,1,0.593,43,372,493.398,6.177,5,0.283,0.58,1.0,0.5459358508669728,0.7597148927421012,0.669667945994106,0.7171715441025289,0.6731225584264272
EOS-3-55687,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)nc2Cl)nc1,ZJNBXMBYSXYIIA-UHFFFAOYSA-N,3,1,0.435,73,263,501.284,4.245,5,0.318,0.59,1.0,0.877655746693167,0.8589884175176479,0.6886865190871085,0.7742015626070866,0.7998830614762524
EOS-3-55688,Cn1nccc1-c1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(Cl)c1,HKFQLFGHRQVUCE-UHFFFAOYSA-N,3,1,0.402,61,451,503.925,4.669,6,0.361,0.84,1.0,0.49997429922555,0.4604036734973614,0.5708570351586595,0.6256253855116167,0.5392150983482968
EOS-3-55689,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(-c5cc(Cl)cnc5OC)n4)n23)cc1,LYDXRTPWRGEUOW-UHFFFAOYSA-N,3,1,0.4,14,357,503.925,4.0,5,0.373,0.7,1.0,0.4603180042491947,0.4560773764649441,0.5066993352066342,0.4041789459255706,0.45681841546158597
EOS-3-55690,CN1c2cscc2CCC1c1cc(COc2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)n(C)n1,XGQJCHYVTZGJJY-UHFFFAOYSA-N,3,1,0.358,33,53,501.576,2.783,6,0.376,0.54,0.12,0.14601466657528614,0.09821979302309643,0.044856418340072646,0.021648619011719553,0.0776848742375437
EOS-3-55691,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cn(-c6ccc(Cl)nc6)nn5)n34)cn2)cs1,UIXVWXYVMHCYCU-UHFFFAOYSA-N,3,1,0.51,6,786,502.951,3.826,6,0.313,0.74,1.0,0.1656072236310054,0.38762764717976833,0.18909773147830855,0.202393598793777,0.2361815502707148
EOS-3-55692,COc1cccc(C#Cc2ncc(-c3nnc4cncc(-c5cccc(-c6cnnc(F)c6)c5)n34)cn2)c1,LEHQOBOGSGZYAR-UHFFFAOYSA-N,3,1,0.33,30,177,500.497,4.253,6,0.331,0.49,1.0,0.337296963881845,0.532494345829621,0.7890052086902886,0.7119457199643616,0.592685559591529
EOS-3-55693,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3nn(C(F)F)cc3Cl)n12,GHWUXGYGJZJUHO-UHFFFAOYSA-N,3,1,0.43,31,456,501.885,3.462,5,0.318,0.6,0.99,0.4651925844698787,0.5280138441505038,0.34797991912822973,0.27276231923788635,0.40348716674662466
EOS-3-55694,FC(F)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccc(Cl)nn5)ncc4Cl)n23)cn1,AHUMCTMWCHCPEH-UHFFFAOYSA-N,3,1,0.449,27,69,501.284,4.862,5,0.325,0.64,0.884,0.8943783839353026,0.9200363237612227,0.8721729148104996,0.8700140497566994,0.8891504180659311
EOS-3-55695,CCCn1nc(C(C)OC)nc1-c1cncc2nnc(-c3cnc(OC)nc3)n12,JBCDUFTXKLRPQE-UHFFFAOYSA-N,3,1,0.262,78,792,395.427,1.966,4,0.462,0.6,0.989,0.027928174902337056,0.016602700294702212,0.0025615105201836747,0.00023987389486669866,0.011833064903022411
EOS-3-55696,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)s1)N1CCCCC1O,AYEIMJLCCXWWMX-UHFFFAOYSA-N,3,1,0.315,52,376,500.559,4.665,6,0.385,0.65,0.997,0.07535467068741004,0.17301761359742307,0.07601432389829346,0.25809574395175106,0.1456205880337194
EOS-3-55697,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(C#N)n4)n23)cc1F,ROPRQMOOODASQE-UHFFFAOYSA-N,3,1,0.375,74,768,391.341,2.363,4,0.574,0.78,1.0,0.30181276129120693,0.2641868274964019,0.7173171818244123,0.6719810156946062,0.4888244465766568
EOS-3-55698,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cncc(F)n6)cc5F)n34)nc2)c(F)c1,HWIIAOFSPOONQL-UHFFFAOYSA-N,3,1,0.317,86,72,501.407,4.324,6,0.329,0.56,1.0,0.40099204989377013,0.5417037900075389,0.8037831539990405,0.832859296826811,0.6448345726817901
EOS-3-55699,Cn1c(-c2ccc(-c3nnco3)nc2)nnc1-c1cncc2nnc(-c3nncnc3-c3ccccc3)n12,AJNBUCVOHWNWOS-UHFFFAOYSA-N,3,1,0.243,8,880,501.474,2.551,7,0.339,0.51,0.784,0.08613186210677815,0.02662600233020355,0.019643958604619285,0.03578404495922144,0.0420464670002056
EOS-3-55700,COCc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)c(F)n2)n(C)n1,XGEJXPXMAOEYIJ-UHFFFAOYSA-N,3,1,0.423,31,24,496.894,2.332,5,0.233,0.48,0.963,0.39884175176478653,0.4868669042560482,0.038996641765471865,0.05081899801247344,0.24388107394969502
EOS-3-55701,Fc1ccccc1-c1nnc2cncc(-c3nnn(-c4ccc(Cl)cc4)n3)n12,PFZRCYIXGWZRHO-UHFFFAOYSA-N,3,1,0.443,22,888,392.785,3.227,5,0.468,0.81,1.0,0.0567387430607909,0.38763621410458504,0.41798882873003906,0.6604156671921048,0.38069486327187996
EOS-3-55702,c1cc(COc2cncc3nnc(-c4cc(-c5nncs5)ccn4)n23)sn1,HTMKZJYHZGZZLS-UHFFFAOYSA-N,3,1,0.419,46,62,394.445,2.74,5,0.448,0.69,1.0,0.3018213282160236,0.22374237543691317,0.06343807826742512,0.06890377630045919,0.16447638955520527
EOS-3-55703,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4nncs4)n23)nn1C,CDHGFXPVPGMRMO-UHFFFAOYSA-N,3,1,0.374,53,105,395.412,0.751,5,0.423,0.62,1.0,0.03009560688095401,0.032143101912137616,0.004446233979850593,0.0020303611815502705,0.017178825988623123
EOS-3-55704,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncn(C(F)F)n4)n23)cc1,QCOBRRGHUSGRLW-UHFFFAOYSA-N,3,1,0.324,61,542,393.361,2.845,5,0.466,0.72,1.0,0.14053183469261873,0.17302618052223973,0.4581591391953944,0.407674251250771,0.294847851415256
EOS-3-55705,Cc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccccc5)n34)nc2C)n1,YUFGWXHDWPKHRK-UHFFFAOYSA-N,3,1,0.475,44,374,395.426,4.052,5,0.453,0.62,0.999,0.37882084846823383,0.1417397710917689,0.28205743266397093,0.24897196902199986,0.26289750531149336
EOS-3-55706,Cn1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc(-c2cc(F)c(F)cc2F)c1=O,YSRPHMHCZSXAGY-UHFFFAOYSA-N,3,1,0.553,59,13,500.387,3.827,5,0.269,0.63,1.0,0.5587862380919745,0.45157117401137686,0.9433726269618258,0.9508686861764101,0.7261496813103968
EOS-3-55707,Cn1nnc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NCc6ccccc6)cc5)n34)c(F)c2)n1,YHYKOUJBPOMNNV-UHFFFAOYSA-N,3,1,0.396,62,3,505.517,3.718,6,0.367,0.82,1.0,0.40311664724830376,0.329792337742444,0.4402028647796587,0.395243643341786,0.39208887327804814
EOS-3-55708,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncc(Cl)s5)ccn4)n23)nc1,HCRWSGVGUOTIBN-UHFFFAOYSA-N,3,1,0.42,33,53,504.963,3.829,6,0.355,0.79,1.0,0.36732403536426567,0.2797700637379206,0.09691762045096292,0.13851004043588513,0.2206304399972586
EOS-3-55709,Cc1cnc(COc2cncc3nnc(-c4ccc(F)c(CC#N)c4F)n23)cn1,AAWQMODMVDNPAD-UHFFFAOYSA-N,3,1,0.466,90,555,393.357,2.813,4,0.514,0.66,1.0,0.7501542046467,0.7726081145911864,0.7356161332328147,0.6661983414433555,0.7311441984785142
EOS-3-55710,Cc1cc(-c2nnc3cncc(OCc4nc(C(F)(F)F)nn4C)n23)cc(-c2cc(F)cc(F)c2)n1,OUTWWIBISNYXLE-UHFFFAOYSA-N,3,1,0.484,27,51,502.407,4.166,5,0.333,0.63,1.0,0.5075217599890344,0.6135631553697485,0.7850130217257213,0.6839147419642245,0.6475031697621821
EOS-3-55711,Fc1ccc(-c2nnc3cncc(-c4nc(-c5cccc(Cl)n5)no4)n23)cc1,LYDNMWANBFMTJQ-UHFFFAOYSA-N,3,1,0.449,22,140,393.769,3.696,5,0.431,0.78,1.0,0.3696285381399493,0.5557107120827908,0.4437581385785758,0.6284610376259337,0.4993896066068124
EOS-3-55712,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cnccn5)ns4)n23)cc1Cl,RCJGTYOXXCMEOR-UHFFFAOYSA-N,3,1,0.447,80,277,502.951,3.733,6,0.335,0.69,1.0,0.4010006168185868,0.5055342334315674,0.1664896168871222,0.21706874100472895,0.32252330203550134
EOS-3-55713,COc1ccccc1Oc1nccnc1-c1cncc2nnc(-c3ccc(C(=O)NCC(F)F)nc3)n12,CKTPNPADXSETPV-UHFFFAOYSA-N,3,1,0.314,82,204,504.457,3.439,5,0.338,0.77,0.94,0.52540093208142,0.4294171064354739,0.3782125968062504,0.22893393187581385,0.39049114179973954
EOS-3-55714,Cc1ccc(C=Cc2cncc3nnc(-c4ccc(-c5cnnn5C)cn4)n23)nc1,WMDXKHYHPYGKBD-UHFFFAOYSA-N,3,1,0.306,85,60,395.43,2.856,5,0.461,0.56,1.0,0.026797340826536908,0.029264615173737234,0.18268967171544104,0.11412857240764855,0.08822005003084094
EOS-3-55715,Cc1nc(C)nc(-n2cc(-c3cncc4nnc(-c5ccc(OC(F)F)c(C(F)(F)F)c5)n34)cn2)n1,MLQBAZHNAIFTQE-UHFFFAOYSA-N,3,1,0.364,68,542,503.395,4.066,5,0.331,0.75,1.0,0.14909875950928655,0.3638115961894318,0.9190511274073059,0.8189123432252758,0.562718456582825
EOS-3-55716,CCn1cc(-c2cncc3nnc(-c4cnc(-c5nc(C)no5)cc4Cl)n23)c(-c2ccc(F)cc2)n1,OUCUHGZGFWIFFP-UHFFFAOYSA-N,3,1,0.314,10,693,501.913,4.888,6,0.328,0.68,1.0,0.23755225824138168,0.39226235350558564,0.31838976081145914,0.4076828181755877,0.3389717976835035
EOS-3-55717,C#Cc1ccc(-c2nnc3cncc(Cc4ccnc(-c5ccsc5)c4)n23)cn1,JRASJDOZCJMMQC-UHFFFAOYSA-N,3,1,0.341,85,290,394.463,3.882,5,0.433,0.69,0.999,0.1546158590912206,0.17724967445685696,0.5803491878555274,0.5549225549996574,0.36678431910081555
EOS-3-55718,O=C(c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnc(C(F)F)n5)o4)n23)cc1)N1CCOCC1,BYLNSJVSLNHXCI-UHFFFAOYSA-N,3,1,0.422,52,229,504.457,3.313,6,0.354,0.74,1.0,0.08614042903159481,0.026634569255020217,0.024372901103419917,0.04961106161332328,0.04668974025083955
EOS-3-55719,Fc1cncc(-c2ncc(-c3nnc4cncc(-c5cc(-c6ccncc6)cc(F)c5F)n34)cc2F)c1,QRNALLSCWGNYFH-UHFFFAOYSA-N,3,1,0.312,42,287,499.431,5.534,6,0.297,0.65,1.0,0.3626550613391817,0.5372232883284216,0.9644558289356453,0.9690905352614625,0.7083561784661778
EOS-3-55720,O=C(NC1COC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5ncon5)ncc4Cl)n23)cc1,YKQCCBFNUCMXMZ-UHFFFAOYSA-N,3,1,0.463,89,731,504.894,2.597,6,0.351,0.76,1.0,0.6128606675347817,0.40656911794942086,0.27819374957165377,0.2520817627304503,0.3874263244465767
EOS-3-55721,Cc1nnc(-c2ccc(F)c(-c3nnc4cncc(-c5ccc(-c6ccc(Cl)nn6)nc5)n34)n2)s1,CXUDCTQGQJQINI-UHFFFAOYSA-N,3,1,0.279,76,887,502.926,4.325,6,0.347,0.64,0.777,0.21831951202796243,0.3922709204304023,0.17623877732849016,0.2818775272428209,0.2671766842574189
EOS-3-55722,CCNC(=O)c1ccc(-c2nnc3cncc(CCc4ccnnc4F)n23)cc1,NWBRFEMJHCYEIC-UHFFFAOYSA-N,3,1,0.442,66,334,391.41,2.255,4,0.541,0.8,1.0,0.26957542320608596,0.22880542800356385,0.16649818381193887,0.12107634843396614,0.1964888458638887
EOS-3-55723,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncncc5Cl)cn4)n23)cc1,SBHZSSVKRKFMGZ-UHFFFAOYSA-N,3,1,0.49,89,731,504.913,3.575,5,0.34,0.77,0.999,0.6013638544308135,0.38296724007950106,0.4038020012336372,0.3408693715303954,0.4322506168185868
EOS-3-55724,CCn1nc(C)cc1-c1cc(F)c(Cl)c(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1,PVRDNRFGCHPDJX-UHFFFAOYSA-N,3,1,0.432,59,772,498.349,5.403,5,0.292,0.62,0.999,0.4999828661503667,0.6369080254951682,0.785021588650538,0.7995682269892399,0.6803701768213282
EOS-3-55725,Clc1cccc(-c2csc(COc3cncc4nnc(-c5ccc(-c6cnccn6)nc5)n34)c2)n1,XMFXIQZRVFFMFM-UHFFFAOYSA-N,3,1,0.452,80,277,498.959,4.999,6,0.295,0.57,1.0,0.6267647865122336,0.7811493386334042,0.5205006510862861,0.5250411212391201,0.6133639743677609
EOS-3-55726,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)ccc5Cl)n34)c(Cl)c2)[nH]1,STYHHODLNNMQPO-UHFFFAOYSA-N,3,1,0.436,13,145,499.749,5.117,5,0.354,0.71,1.0,0.6210934822835995,0.7191762045096293,0.7869834144335549,0.8465064080597628,0.7434398773216366
EOS-3-55727,Fc1cncc(CCOc2cncc3nnc(-c4cc(Cl)cc(-c5ccc(F)c(Cl)c5)c4)n23)c1,DOQSHWLRLWLESX-UHFFFAOYSA-N,3,1,0.61,88,429,498.32,6.06,5,0.285,0.72,1.0,0.9722345966691797,0.9674456856966623,0.9762010828592969,0.9858731409773148,0.9754386265506134
EOS-3-55728,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4cccc(-c5ccccn5)n4)n23)cc1,WCJJYIRBZKMZHL-UHFFFAOYSA-N,3,1,0.479,76,126,395.382,3.824,5,0.336,0.78,1.0,0.12135049002809951,0.01380131587965184,0.3516979644986636,0.20539202247961072,0.17306044822150643
EOS-3-55729,CCCNC(=O)c1ccc(-c2nnc3cncc(Oc4ccc(-c5nc(C)cn5C)cc4F)n23)c(F)c1,JYNNNRWBYOQLJW-UHFFFAOYSA-N,3,1,0.396,13,451,503.513,4.711,5,0.345,0.77,1.0,0.44649098759509287,0.37818689603180045,0.4859759440751148,0.36684428757453225,0.41937452881913506
EOS-3-55730,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)ns4)n23)cc1,WQJGQBTTZWNATF-UHFFFAOYSA-N,3,1,0.435,56,415,502.951,3.733,6,0.313,0.75,1.0,0.4535672674936605,0.5235590432458365,0.12410903981906654,0.16137516277157152,0.31565262833253377
EOS-3-55731,Cn1c(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(F)c5)n34)cn2)nnc1C(F)F,DXNBCDXAODXRAC-UHFFFAOYSA-N,3,1,0.304,74,295,505.464,3.618,6,0.375,0.77,0.986,0.17629874580220684,0.2797786306627373,0.24197279144678227,0.312564251936125,0.2526536049619629
EOS-3-55732,Cn1c(-c2cccc(F)c2Cl)nnc1-c1cncc2nnc(-c3nc(-c4cncnc4)ccc3F)n12,WXVFTZXYNPCIQT-UHFFFAOYSA-N,3,1,0.278,10,314,502.876,4.037,6,0.355,0.6,0.994,0.17079021314508944,0.3688232472071825,0.42168974025083955,0.5898413405523953,0.38778613528887673
EOS-3-55733,Cc1nc(C)c(-c2cccc(-c3nnc4cncc(OCCc5cc(Cl)ccc5Cl)n34)c2)s1,QESYSCZEWXSGSO-UHFFFAOYSA-N,3,1,0.563,91,70,496.423,6.46,5,0.27,0.76,1.0,0.6683657734219725,0.8175587691042423,0.7356247001576314,0.7765060653827702,0.7495138270166541
EOS-3-55734,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(CCc5ccc(Cl)nn5)s4)n23)cn1,YNKDADWVMKGBOD-UHFFFAOYSA-N,3,1,0.457,27,52,499.934,4.993,5,0.297,0.64,0.999,0.6293948324309506,0.817567336029059,0.6384929065862518,0.6110787471729148,0.674133455554794
EOS-3-55735,CCCOc1cncc2nnc(-c3ccc(-c4cn(CC)nc4C)nc3OC)n12,SWYQGYJYFCJMQG-UHFFFAOYSA-N,3,1,0.447,78,548,393.451,3.176,4,0.476,0.71,1.0,0.24558803371941607,0.10142382290453018,0.025520869028853404,0.00657083133438421,0.09477588924679596
EOS-3-55736,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cc(-c5ccncn5)ncc4Cl)n23)cc1,APFLXUOKDREDEZ-UHFFFAOYSA-N,3,1,0.469,89,731,504.913,3.575,5,0.34,0.73,1.0,0.6653930505105887,0.4384980467411418,0.465004112123912,0.3922966212048523,0.49029795764512374
EOS-3-55737,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cnco5)n34)cc2F)n1,DOOOGAIFGYQUCI-UHFFFAOYSA-N,3,1,0.518,16,256,393.338,2.856,5,0.444,0.73,1.0,0.8648824617915153,0.6614436981701048,0.31085086697279146,0.26117983688575147,0.5245892159550407
EOS-3-55738,N#Cc1ccc(Cc2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,MVWVCNZMFOUNJQ-UHFFFAOYSA-N,3,1,0.413,90,473,391.822,2.652,4,0.497,0.78,0.911,0.39670858748543625,0.16080117880885478,0.4509800561990268,0.47674936604756357,0.3713097971352204
EOS-3-55739,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccc6)cs5)n34)cc2Cl)cn1,AIPGAEFONIHDFM-UHFFFAOYSA-N,3,1,0.517,12,177,499.987,5.548,6,0.299,0.75,1.0,0.4464995545199095,0.6183777671167158,0.6027516962511137,0.6256339524364334,0.5733157425810431
EOS-3-55740,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(Cl)nc5)ns4)n23)cn1,OXLVAIIVYNBREN-UHFFFAOYSA-N,3,1,0.402,80,34,502.951,3.733,6,0.313,0.71,1.0,0.3766191487903502,0.5372318552532382,0.10473065588376397,0.13413234185456788,0.2881785004454801
EOS-3-55741,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C#N)cc4F)n23)cc1F,UAMLXNMXVUSAGA-UHFFFAOYSA-N,3,1,0.421,61,129,390.353,2.968,4,0.58,0.89,1.0,0.4394661092454253,0.39697416215475295,0.8967942567336029,0.87435748063875,0.6518980021931328
EOS-3-55742,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4cnn(C5CCN(S(C)(=O)=O)CC5)c4)n23)cc1,YRBNOGWHRHLDSN-UHFFFAOYSA-N,3,1,0.333,78,792,504.58,2.047,6,0.356,0.72,1.0,0.005602768830100747,0.015189157699952025,0.001336440271400178,0.004806044822150641,0.006733602905900898
EOS-3-55743,FC(F)c1ccc(-c2nnc3cncc(Cc4cnc(C5CCC5)nc4)n23)cc1,MNLBQRKBOONKEY-UHFFFAOYSA-N,3,1,0.398,66,364,392.413,4.377,5,0.504,0.86,1.0,0.41636111301487216,0.41602700294702216,0.31475738468919195,0.5216743197861695,0.41720495510931394
EOS-3-55744,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nnc5nncc(C(F)F)n45)cc3)n12,QHUIRSYBOWPVJY-UHFFFAOYSA-N,3,1,0.699,91,755,503.448,3.989,6,0.322,0.72,1.0,0.9370845041463917,0.9336148995956411,0.6560636693852375,0.6925073675553424,0.8048176101706532
EOS-3-55745,Cn1cnnc1-c1cnc(-c2cncc3nnc(-c4ccc(-c5ccc(F)c(F)c5)c(F)c4)n23)cc1F,ZOGUFTBYWODCHD-UHFFFAOYSA-N,3,1,0.321,45,192,502.435,4.872,6,0.32,0.69,1.0,0.3510383112877801,0.5189329038448358,0.9180744979782057,0.934420190528408,0.6806164759098075
EOS-3-55746,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(Cl)c(C#N)n4)n23)cc1,OKQKLQFNEBXGET-UHFFFAOYSA-N,3,1,0.44,74,437,390.794,2.133,4,0.568,0.81,1.0,0.24559660064423275,0.290333082036872,0.3147659516140086,0.2818860941676376,0.2831454321156877
EOS-3-55747,Cc1c(F)ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cnc2Cl)c1F,IJSHIABXFHDVOF-UHFFFAOYSA-N,3,1,0.439,73,401,500.296,5.116,5,0.31,0.65,1.0,0.8627407305873483,0.914382153382222,0.9172606401206223,0.9217411417997395,0.904031166472483
EOS-3-55748,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)ccc2F)cc1F,PAYUQFLRPNSKMB-UHFFFAOYSA-N,3,1,0.547,88,485,499.855,5.685,5,0.281,0.72,1.0,0.9809985607566308,0.9833030635323144,0.9812641354259475,0.9880234391062984,0.9833972997052979
EOS-3-55749,Cn1nnc(-c2cnc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5OC(F)F)n34)cn2)n1,GJKDYUDWMUHCGP-UHFFFAOYSA-N,3,1,0.34,74,295,505.449,1.932,6,0.347,0.78,0.995,0.29405969433212253,0.3591083544650812,0.09022685216914536,0.12108491535878281,0.216119954081283
EOS-3-55750,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5ncnn5C)nn4)n23)cc1,OYNIYFTVELURDQ-UHFFFAOYSA-N,3,1,0.278,98,882,503.494,1.42,7,0.334,0.59,1.0,0.02546090055513673,0.00965492426838462,0.009826262764717977,0.009963333561784662,0.013726355287505997
EOS-3-55751,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(-c6ccsc6)n5)n34)cc2F)n1,DFRCYWGUQCMNSU-UHFFFAOYSA-N,3,1,0.511,40,247,501.522,5.173,6,0.313,0.69,1.0,0.514880748406552,0.5744637105064766,0.7505054485641834,0.7147128366801453,0.6386406860393393
EOS-3-55752,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)cnc5Cl)nn4)n23)c(F)c1,PETBOXOGNUVJFC-UHFFFAOYSA-N,3,1,0.321,98,314,502.876,4.037,6,0.332,0.6,1.0,0.2993112192447399,0.41146939894455486,0.6087571105475978,0.689448975395792,0.5022466760331712
EOS-3-55753,O=c1c2ncncc2ncn1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1,WPVDGOQIUMEHNG-UHFFFAOYSA-N,3,1,0.485,15,639,502.947,3.617,6,0.339,0.64,1.0,0.7014255362894936,0.5417123569323555,0.30002227400452336,0.3857943252690014,0.48223862312384347
EOS-3-55754,Clc1ncc(COc2cncc3nnc(-c4cccnc4C4CCC4)n23)cn1,NUDXLXWLOMAVJQ-UHFFFAOYSA-N,3,1,0.482,68,127,393.838,3.476,5,0.479,0.72,0.986,0.6182835309437325,0.6183863340415324,0.040401617435405386,0.15076930984853676,0.3569601980673017
EOS-3-55755,CC#Cc1ccc(-c2nnc3cncc(-c4cccc(-c5nnn(C)n5)n4)n23)cn1,VGENJWDDMAUWML-UHFFFAOYSA-N,3,1,0.329,50,974,394.402,1.81,5,0.426,0.63,0.904,0.053114933863340416,0.08237954903707766,0.06966623260914262,0.06536563635117539,0.06763158796518402
EOS-3-55756,COc1cc(-c2nnc3cncc(OCCc4ncc(Br)cn4)n23)ccc1-c1ccncc1,QOAOILQJNRCOFW-UHFFFAOYSA-N,3,1,0.506,35,103,504.348,4.036,5,0.328,0.72,1.0,0.7411846343636488,0.6271245973545336,0.39281920361866907,0.32472071825097665,0.5214622883969571
EOS-3-55757,CCc1nc(Cc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)ccc1F,LJAIVQWLHUDYMQ-UHFFFAOYSA-N,3,1,0.441,66,334,390.422,2.838,4,0.566,0.85,1.0,0.2667911726406689,0.24419162497429922,0.30003084092934,0.1993009389349599,0.252578644369817
EOS-3-55758,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ncc(Cl)cc4-c4cccc(F)c4)n23)nc1F,MAZLGWVMCMGQGO-UHFFFAOYSA-N,3,1,0.311,10,219,502.876,4.037,6,0.332,0.61,0.999,0.2154324583647454,0.4648413405523953,0.4437667055033925,0.62564251936125,0.4374207559454458
EOS-3-55759,Fc1ccc(-n2cc(-c3cncc4nnc(-c5ccc(-c6ccc(C(F)(F)F)nc6)cc5)n34)nn2)cc1,KOWHLIZBHUFHHO-UHFFFAOYSA-N,3,1,0.379,3,783,502.435,5.259,6,0.306,0.77,1.0,0.05841786032485779,0.3254060722363101,0.9691676375848125,0.9489668288671098,0.5754895997532725
EOS-3-55760,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4scnc4-c4ccccc4Cl)n23)cc1,XZAYRCSJCOFKDO-UHFFFAOYSA-N,3,1,0.489,62,637,502.987,5.039,6,0.335,0.76,0.999,0.5305753546706874,0.40657768487423757,0.29278322253443906,0.4110239188540881,0.41024004523336305
EOS-3-55761,Cn1cc(-c2cc(-c3cncc4nnc(-c5cnc(-c6cncc(F)c6)c(F)c5)n34)nc(Cl)n2)cn1,BUTVBAXTVKGPAC-UHFFFAOYSA-N,3,1,0.275,86,872,502.876,4.037,6,0.332,0.61,0.999,0.17079878006990612,0.29034164896168874,0.6238091974504831,0.6573572750325544,0.4355767253786581
EOS-3-55762,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)nn4)n23)nc1,XRQLNKRQEJSKFR-UHFFFAOYSA-N,3,1,0.361,63,505,390.382,1.598,5,0.551,0.83,1.0,0.10055856349804675,0.1170670276197656,0.033573778356521145,0.06711328901377561,0.07957816462202728
EOS-3-55763,Cc1nc(C2CC2)n(C)c1Cc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,ZLZJWUGISVIVLT-UHFFFAOYSA-N,3,1,0.38,78,455,395.417,3.634,5,0.516,0.6,0.88,0.23756082516619834,0.25408642313755053,0.08269652525529436,0.1691967651291892,0.1858851346720581
EOS-3-55764,Cn1nc(Cl)nc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)nc(Cl)c4)n23)nc1,HVDCNUBCSWJHPK-UHFFFAOYSA-N,3,1,0.466,31,773,502.753,3.959,5,0.321,0.66,1.0,0.6182920978685491,0.5417209238571722,0.32932972380234393,0.45219655952299365,0.4853848262627647
EOS-3-55765,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C#N)c(F)c4)n23)cc1F,SVOILCTWJKDVQA-UHFFFAOYSA-N,3,1,0.413,61,682,390.353,2.968,4,0.58,0.86,1.0,0.4097046124323213,0.3969827290795696,0.9013090261119868,0.870022616681516,0.6445047460763484
EOS-3-55766,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ccc6nccc(Cl)c6n5)c4)n23)cc1,YHMZTDPXRQTUJV-UHFFFAOYSA-N,3,1,0.568,57,709,499.361,6.287,6,0.278,0.84,1.0,0.9417877458707422,0.9635134672058118,0.8873192378863684,0.9258018641628402,0.9296055787814407
EOS-3-55767,Cc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ncc1F,ZDIQHLGVSUSYCI-UHFFFAOYSA-N,3,1,0.32,63,108,390.382,1.983,5,0.567,0.84,1.0,0.1627630045918717,0.15321945034610376,0.02552943595367007,0.04412822973065588,0.09641003015557537
EOS-3-55768,Cc1ncc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c(-c2ccc(C(F)F)nc2)n1,IJVRRYAOFAHFET-UHFFFAOYSA-N,3,1,0.457,59,577,499.403,4.886,5,0.243,0.63,0.883,0.8943869508601192,0.8761479679254335,0.9530875197039271,0.9217497087245562,0.9113430368035089
EOS-3-55769,Cn1nc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1-c1ccc(F)cc1Cl,NSZGDVZZMNJALR-UHFFFAOYSA-N,3,1,0.448,95,562,503.3,4.188,5,0.343,0.63,0.983,0.5459444177917895,0.5607394969501748,0.6446439586046193,0.7694640531834692,0.6301979816325132
EOS-3-55770,FC(F)c1cncc2nnc(-c3nc(Cc4ccc(Oc5ccccc5)cn4)oc3-c3ncccn3)n12,GVTXBQVOOWGOOG-UHFFFAOYSA-N,3,1,0.287,28,586,498.453,4.952,6,0.301,0.47,0.505,0.4416763758481256,0.36382016311424853,0.40381056815845384,0.40418751285038723,0.40337365499280375
EOS-3-55771,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)nn2)nc1,CMZDEGRVCSMOIQ-UHFFFAOYSA-N,3,1,0.275,98,465,503.515,2.805,7,0.341,0.57,0.999,0.025469467479953396,0.04555033925022274,0.041866561579055585,0.06891234322527585,0.04544967788362689
EOS-3-55772,Fc1ccc(-c2nnc3cncc(-c4ncc(-c5ccsc5)cn4)n23)cc1F,FZDWLCGXSDFDLI-UHFFFAOYSA-N,3,1,0.398,73,736,392.394,4.255,5,0.459,0.82,1.0,0.317438832156809,0.4781543417174971,0.7975978342814063,0.8465149749845795,0.609926495785073
EOS-3-55773,FC(F)c1cc(-c2nnc3cncc(OCc4ncc(-c5ccncc5Cl)cn4)n23)ccc1Cl,OEMQHMWCDLNOEH-UHFFFAOYSA-N,3,1,0.488,73,969,500.296,5.467,5,0.306,0.68,1.0,0.9072801727092044,0.9492581043108765,0.9481015694606264,0.9508772531012268,0.9388792748954835
EOS-3-55774,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cn(-c6cccc(C(F)(F)F)c6)nn5)n34)nc2)nc1,VHVSQZDCFYITRY-UHFFFAOYSA-N,3,1,0.268,10,37,503.423,4.654,6,0.323,0.72,1.0,0.05842642724967446,0.2288139949283805,0.9452316496470426,0.9205246384757727,0.5382491775752176
EOS-3-55775,Fc1ccc(-c2ccc(C(F)(F)F)nn2)cc1COc1cncc2nnc(-c3ccc(Cl)cn3)n12,PKAFMFKFJTUADV-UHFFFAOYSA-N,3,1,0.409,34,691,501.831,5.034,5,0.312,0.67,1.0,0.8716074977725995,0.8922623535055856,0.977563223905147,0.9609690905352615,0.9256005414296484
EOS-3-55776,Fc1cnc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1-c1cccc(C(F)F)n1,NYLWHFDPHXVTBA-UHFFFAOYSA-N,3,1,0.434,27,69,500.391,4.632,5,0.298,0.56,1.0,0.8423428825988624,0.910381399492838,0.8667329175519156,0.7905386882324721,0.852498971969022
EOS-3-55777,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccncc4-c4cc(-c5cccnn5)ncn4)n23)cc1F,SPUVNYNYVDBQCL-UHFFFAOYSA-N,3,1,0.288,42,693,504.489,3.266,6,0.375,0.61,0.989,0.2456051675690494,0.20850181618806113,0.432715372489891,0.36988554588444933,0.3141769755328627
EOS-3-55778,Cn1c(-c2cccc(Cl)n2)nnc1-c1cncc2nnc(-c3nccnc3-c3ccc(F)cc3F)n12,WPPVLAUBDBFXRQ-UHFFFAOYSA-N,3,1,0.307,39,854,502.876,4.037,6,0.332,0.59,0.892,0.17080734699472278,0.3208399013090261,0.2855698718388047,0.49509115208004933,0.3180770680556507
EOS-3-55779,CCc1nc(-c2nnc3cncc(OCc4c(F)cc(F)c(F)c4F)n23)ccc1-c1cncc(C)n1,XUJJPEQRWCUPEE-UHFFFAOYSA-N,3,1,0.388,46,717,495.44,4.65,5,0.192,0.52,0.216,0.6238948666986499,0.6662497429922555,0.8139692276060585,0.7618823247207183,0.7164990405044206
EOS-3-55780,COCCCOc1cncc2nnc(-c3ccc(-c4cccc(CO)n4)nc3)n12,AONVQLWBAKIZJI-UHFFFAOYSA-N,3,1,0.506,58,548,392.419,2.156,4,0.455,0.8,1.0,0.520038037146186,0.37349222123226644,0.14768521691453637,0.11413713933246522,0.2888381536563635
EOS-3-55781,Cn1cc(-c2nc(CO)nnc2-c2cncc3nnc(-c4cnc(-c5nnnn5C)cc4Cl)n23)cn1,FYTYEYZPLFWHJQ-UHFFFAOYSA-N,3,1,0.262,99,286,502.89,0.775,6,0.351,0.5,0.544,0.1269960934822836,0.24913474059351656,0.009834829689534644,0.01766499897196902,0.10090766568432596
EOS-3-55782,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(-c6c[nH]nn6)n5)n34)c(Cl)c2)ns1,FDLUOIQXFVVWFI-UHFFFAOYSA-N,3,1,0.455,4,268,502.951,4.031,6,0.358,0.63,1.0,0.4303937358645741,0.569734768007676,0.1958913028579261,0.23168391474196423,0.3569259303680351
EOS-3-55783,COc1cc(-c2nnc3cncc(OCc4nc(-c5cccs5)cs4)n23)ccc1-c1cccnc1,TYGFYQOHFUAAEB-UHFFFAOYSA-N,3,1,0.505,28,120,498.593,5.626,6,0.282,0.66,1.0,0.3490165170310465,0.4160355698718388,0.4437752724282092,0.369894112809266,0.3946803680350901
EOS-3-55784,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)c5)nc4)n23)nc1)N1CC(F)(F)C1,GFLNZUHMSJJCSO-UHFFFAOYSA-N,3,1,0.337,52,821,503.9,4.66,6,0.354,0.73,0.965,0.2746213419231033,0.3829758070043177,0.5173651566033857,0.6894575423206086,0.46610496196285384
EOS-3-55785,Fc1ccc(-c2ncoc2-c2nnc3cncc(OCc4cccs4)n23)cc1,WDZUPXIARDURDH-UHFFFAOYSA-N,3,1,0.653,4,850,393.403,4.226,5,0.445,0.83,1.0,0.6529367418271538,0.6856538277020081,0.5239274210129532,0.567850044548009,0.6075920087725311
EOS-3-55786,CCC(C)(O)C#Cc1cc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)ccc1Cl,SPAGPUZQOUYXDB-UHFFFAOYSA-N,3,1,0.3,61,917,502.941,3.954,5,0.371,0.6,0.266,0.2913268453156055,0.509646357343568,0.8192892879172092,0.771768555959153,0.5980077616338839
EOS-3-55787,Fc1cc(C(F)(F)F)ccc1COc1cncc2nnc(-c3cc(-c4ccc(Cl)cn4)ncn3)n12,XNRFOBQTWXYXPZ-UHFFFAOYSA-N,3,1,0.44,44,488,501.831,5.034,5,0.312,0.65,0.991,0.9007264752244535,0.8840209718319512,0.9867641011582482,0.9767664998971969,0.9370695120279624
EOS-3-55788,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)c5)cc4F)n23)cc1Cl,XZHHXKXCGHGUDN-UHFFFAOYSA-N,3,1,0.367,83,3,501.924,5.949,6,0.323,0.84,1.0,0.37181310396819955,0.5143752998423686,0.880003084092934,0.9429100130217257,0.677275375231307
EOS-3-55789,O=C(NCCF)c1ccc(-c2nnc3cncc(CCc4nc(-c5cnccn5)ncc4Cl)n23)cc1,YOYCRGQUAGASSO-UHFFFAOYSA-N,3,1,0.4,85,580,503.929,3.176,5,0.342,0.6,0.999,0.2208296209992461,0.3003820848468234,0.09962476869302996,0.11878041258309917,0.18490422178054963
EOS-3-55790,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nnc(-c5ccnc(Cl)c5)s4)n23)nc1,WPOAOOSVOANTSZ-UHFFFAOYSA-N,3,1,0.363,6,843,502.951,3.733,6,0.313,0.66,1.0,0.330023644712494,0.4250479747789733,0.11561921732574874,0.14321328216023577,0.25347602974436295
EOS-3-55791,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5csc(-c6cnccn6)n5)n34)c(F)n2)nc1,ZHKHJPKUIFPINS-UHFFFAOYSA-N,3,1,0.447,80,34,502.47,3.414,6,0.312,0.64,1.0,0.5702059488725927,0.6564320471523541,0.18587656774724146,0.19930950585977658,0.40295601740799114
EOS-3-55792,Cc1cnc(F)c(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)ccn2)c1F,UZPIEKJDCVOVJM-UHFFFAOYSA-N,3,1,0.517,59,676,498.415,5.433,5,0.238,0.64,1.0,0.9746933040915633,0.9512970324172435,0.9919213898978823,0.9779830032211637,0.9739736824069631
EOS-3-55793,COc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)sn2)s1,WQUDDSXGRUHGDM-UHFFFAOYSA-N,3,1,0.512,12,285,499.581,5.021,6,0.302,0.59,0.999,0.5486172983345898,0.44272154067575903,0.1634055239531218,0.1829552463847577,0.3344249023370571
EOS-3-55794,Cc1ccc(-c2nnc3cncc(Cc4ccc(F)c(C(=O)NCc5ccc(Cl)c(F)c5)n4)n23)cn1,FWAOKUUDIOKBPC-UHFFFAOYSA-N,3,1,0.526,14,358,505.916,4.342,5,0.368,0.8,1.0,0.4698958261942293,0.5651086286066753,0.6589421561236378,0.6662069083681722,0.5900383798231786
EOS-3-55795,Cn1cnnc1-c1nc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(Cl)cc1F,PAJGXKFGWGLGKE-UHFFFAOYSA-N,3,1,0.402,89,310,505.901,3.459,6,0.372,0.77,0.997,0.5200466040710027,0.4515797409361935,0.11856623946268248,0.18557672537865808,0.3189423274621342
EOS-3-55796,Fc1cnc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)nc1,HYQKDEUHMWTQAR-UHFFFAOYSA-N,3,1,0.415,68,900,392.276,2.108,4,0.487,0.67,1.0,0.8018641628401069,0.6039167980261805,0.6589507230484545,0.4767579329723802,0.6353724042217805
EOS-3-55797,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5nnc(-c6cccc(Cl)c6)s5)n34)nc2)n(C)n1,MBAYFMNIJCDALB-UHFFFAOYSA-N,3,1,0.356,67,622,501.963,4.859,6,0.329,0.65,0.999,0.3443389760811459,0.447364813926393,0.23479370845041464,0.25810431087656777,0.3211504523336303
EOS-3-55798,Cn1cnc(-c2cc(F)c(-c3nnc4cncc(-c5ccc(-c6ncc(F)cn6)cc5F)n34)cc2F)c1,ZPXZCBRBQKQAPR-UHFFFAOYSA-N,3,1,0.31,45,287,502.435,4.872,6,0.32,0.65,1.0,0.3649252964155987,0.5009166609553835,0.917269207045439,0.9140480433143718,0.6742898019326983
EOS-3-55799,Fc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1-c1ncc(Cl)cc1F,WESAZBQUHWCFKN-UHFFFAOYSA-N,3,1,0.489,88,639,499.308,5.455,5,0.289,0.58,1.0,0.9507744500034268,0.9627938455212117,0.9068089918442875,0.9361164416421082,0.9391234322527586
EOS-3-55800,CCc1nc(-c2nnc3cncc(OCc4cccc(-c5cccnn5)n4)n23)ccc1-c1cccc(C)n1,WGRPXUWIRVMXCI-UHFFFAOYSA-N,3,1,0.379,81,984,501.554,4.55,6,0.31,0.57,0.07,0.2940682612569392,0.1815245699403742,0.1858851346720581,0.1385186073607018,0.1999991433075183
EOS-3-55801,Cn1nc(C(F)(F)F)cc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,FVOYFXMSGPGNQU-UHFFFAOYSA-N,3,1,0.489,27,69,502.407,4.517,5,0.315,0.65,1.0,0.5840758001507779,0.6183949009663491,0.9681995750805291,0.8908830786101021,0.7653883387019396
EOS-3-55802,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(F)cc5F)cs4)n23)nc1,NOUBZLUTMCABGM-UHFFFAOYSA-N,3,1,0.416,44,344,505.51,4.059,6,0.355,0.79,1.0,0.40100918374340344,0.37350078815708315,0.27039784798848604,0.35686382016311424,0.35044291001302175
EOS-3-55803,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Br)c5)n34)nc(C)n2)nc1,CNSAVXLPSRZTNL-UHFFFAOYSA-N,3,1,0.436,18,330,503.364,4.039,5,0.342,0.59,1.0,0.5900212459735453,0.4341032143101912,0.2312641354259475,0.19931807278459324,0.3636766671235693
EOS-3-55804,N#Cc1ccc(-c2nnc3cncc(Cc4cc(-c5cncnn5)ncn4)n23)cn1,REBLVPQMYLKAGZ-UHFFFAOYSA-N,3,1,0.315,85,60,393.374,1.291,5,0.438,0.63,1.0,0.22930230964293058,0.190014392433692,0.16341409087793846,0.1746367623877733,0.1893418888355836
EOS-3-55805,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncn5C)cc4OC)n23)cc1Cl,RZRCPPBAFFQNSQ-UHFFFAOYSA-N,3,1,0.426,89,788,504.938,3.187,5,0.358,0.69,1.0,0.5173737235282023,0.4294256733602906,0.39653724898910286,0.24610204920841613,0.39735967377150294
EOS-3-55806,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(C)=O)c(F)c4)n23)nc1,XWIQENRVSFRURM-UHFFFAOYSA-N,3,1,0.323,0,999,390.378,2.555,4,0.537,0.86,1.0,0.2695839901309026,0.21335926255911178,0.40024672743472,0.2581128778013844,0.2853257144815297
EOS-3-55807,CC#Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(Br)c5)n34)c2)cn1,CGBZRLOLFCYMRW-UHFFFAOYSA-N,3,1,0.523,2,995,502.307,4.709,5,0.329,0.59,1.0,0.7733277362757864,0.7191847714344459,0.8231015694606264,0.7694726201082859,0.7712716743197862
EOS-3-55808,Cn1ccc(-c2cc(F)ccc2-c2nnc3cncc(-c4cnn(-c5cnc(F)c(F)c5)n4)n23)cc1=O,SLRWPUZRUSKBLY-UHFFFAOYSA-N,3,1,0.286,10,783,501.432,3.217,6,0.341,0.46,0.676,0.10810602426153108,0.3396271674319786,0.6915992735247756,0.7199215269686793,0.4648134980467411
EOS-3-55809,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5cccc(Cl)n5)ns4)n23)cn1,XSORBFVEKTYHTE-UHFFFAOYSA-N,3,1,0.408,80,34,502.951,3.733,6,0.313,0.65,1.0,0.37182167089301627,0.5189414707696526,0.07173086148995957,0.10297443629634706,0.2663671098622439
EOS-3-55810,Cc1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)nc5F)n34)nn2)s1,HDHHVEFJJZEFMA-UHFFFAOYSA-N,3,1,0.323,81,622,502.47,3.936,6,0.32,0.59,0.999,0.5958381879240627,0.6467085874854362,0.2348022753752313,0.2552515249126174,0.43315014392433693
EOS-3-55811,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5F)nc(C)c4F)n23)cc1F,IPYKJBCPXVQJRE-UHFFFAOYSA-N,3,1,0.446,59,788,505.46,3.913,5,0.349,0.78,1.0,0.6777122883969571,0.5417294907819888,0.7617623877732849,0.6432132821602358,0.6561043622781166
EOS-3-55812,Fc1cnc(-c2nc(-c3nnc4cncc(OCc5cnc(C(F)(F)F)cn5)n34)ccc2Cl)nc1,FTCOJUJECIYIND-UHFFFAOYSA-N,3,1,0.383,7,775,503.807,3.824,5,0.33,0.63,1.0,0.7169231032828456,0.8326965252552944,0.8019069974641903,0.7305359468165308,0.7705156432047152
EOS-3-55813,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)ncc2Br)cn1,YEIXRXCERZUWLY-UHFFFAOYSA-N,3,1,0.522,89,943,506.324,2.422,5,0.371,0.75,1.0,0.43040230278939073,0.3396357343567953,0.13888698512781852,0.08176273045027757,0.24767193818107053
EOS-3-55814,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnnn3C)n12,ZPOOSICXPYAJRA-UHFFFAOYSA-N,3,1,0.337,63,437,390.407,1.488,5,0.549,0.87,0.998,0.0885134672058118,0.041849427729422246,0.027748269481187034,0.02501542046467,0.04578164622027277
EOS-3-55815,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cc(-c5nnc(Cl)s5)ncn4)n23)cc1,SPWDZETWIBDXPN-UHFFFAOYSA-N,3,1,0.433,89,463,505.951,3.224,6,0.354,0.75,1.0,0.4777002947022137,0.4160441367966555,0.044864985264889315,0.07266465629497636,0.2528185182646837
EOS-3-55816,Cc1ccc(-c2nnc3cncc(OCc4cc(COCC5CCC(F)(F)C(F)C5)n(C)n4)n23)cc1,QLTITOKBNMDQEY-UHFFFAOYSA-N,3,1,0.458,63,792,500.525,4.702,5,0.349,0.52,1.0,0.39456685628126925,0.40202008087177027,0.677917894592557,0.6894661092454253,0.5409927352477555
EOS-3-55817,Cc1cccc(-n2cc(-c3cncc4nnc(-c5cccnc5-c5cc(F)c(Cl)c(F)c5)n34)cn2)n1,UMXBHWGXKIUXKV-UHFFFAOYSA-N,3,1,0.312,10,673,500.9,5.341,6,0.304,0.64,0.967,0.020277911041052702,0.26419539442121853,0.8339472962785278,0.8500274141594133,0.49211200397505306
EOS-3-55818,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(-c5cccnc5F)n4)n23)ccc1OC(F)F,OUVNQEPBTSEZDN-UHFFFAOYSA-N,3,1,0.484,73,679,501.375,4.241,5,0.241,0.65,1.0,0.9241141799739565,0.960232335001028,0.919950654513056,0.8965886505380029,0.9252214550065109
EOS-3-55819,O=C(c1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1)N1CC2CCC(F)CC2C1,DUMCQLVTYOYEJA-UHFFFAOYSA-N,3,1,0.538,0,345,504.541,4.157,6,0.392,0.69,1.0,0.3834641217188678,0.23897436776094852,0.15692036186690425,0.4041960797752039,0.2958887327804811
EOS-3-55820,Cc1cnc(F)c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c(Cl)cn2)c1F,DPEJCBPROQVDAJ-UHFFFAOYSA-N,3,1,0.598,59,89,499.308,5.721,5,0.288,0.62,1.0,0.9722431635939963,0.9764752244534302,0.9481101363854431,0.9568055650743609,0.9634085223768076
EOS-3-55821,Cn1nnnc1-c1ncnc(COc2cncc3nnc(-c4ccsc4)n23)n1,UWLYEJFITVSHGT-UHFFFAOYSA-N,3,1,0.393,92,728,393.396,0.807,5,0.422,0.7,1.0,0.24027654033308204,0.19452059488725926,0.002724282091700363,0.0011908025495168254,0.10967805496538961
EOS-3-55822,FC(F)(F)c1cnc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,QAAIDZDSFZFJCU-UHFFFAOYSA-N,3,1,0.476,68,455,390.756,3.844,4,0.531,0.85,1.0,0.49726715098348295,0.7239051470084299,0.9653724898910288,0.9489753957919266,0.7838800459187171
EOS-3-55823,COc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ncc(Cl)nc3Cl)n12,CBCXUUCGBPASLW-UHFFFAOYSA-N,3,1,0.484,58,710,501.359,4.037,5,0.326,0.51,1.0,0.6352032074566514,0.5899441436501953,0.13889555205263518,0.18558529230347476,0.3874070488657392
EOS-3-55824,c1ccc(-c2ncsc2-c2cncc3nnc(-c4cccnc4-c4ccnn4-c4ccncc4)n23)cc1,NIFKAIQGFYGCKI-UHFFFAOYSA-N,3,1,0.278,30,371,499.563,5.225,7,0.32,0.53,0.991,0.008181413199917758,0.03819135083270509,0.2782023164964704,0.35057569734768007,0.16878769446919334
EOS-3-55825,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCC3CCC3)n12,DKPBFCDLQFZNAV-UHFFFAOYSA-N,3,1,0.458,78,548,394.46,3.497,5,0.495,0.59,1.0,0.3673326022890823,0.35412240422178054,0.010957096840518127,0.0367778082379549,0.19229747789733398
EOS-3-55826,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(OC(C)C)n4)n23)cn1,JPDAZTGVIFCVSA-UHFFFAOYSA-N,3,1,0.326,63,66,390.407,1.79,4,0.548,0.84,1.0,0.36493386334041533,0.13806456034541842,0.06344664519224179,0.012207867863751628,0.1446632341854568
EOS-3-55827,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5ccsc5)cn4)n23)cc1,RHIMYBFRPUDQJK-UHFFFAOYSA-N,3,1,0.284,98,882,504.543,3.353,7,0.346,0.63,1.0,0.04549893770132273,0.06806421766842574,0.1072493317798643,0.12969467479953395,0.08762679048728668
EOS-3-55828,Cc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)nc1,PNDQOZNMHFAHNF-UHFFFAOYSA-N,3,1,0.371,63,437,389.394,2.588,5,0.576,0.91,1.0,0.11349461997121513,0.2288225618531972,0.10725789870468097,0.1692053320540059,0.15469510314577478
EOS-3-55829,O=C(NCCF)c1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)c2)nn1,KZCYRLDZQDAWCW-UHFFFAOYSA-N,3,1,0.42,46,122,505.901,2.97,5,0.338,0.72,0.951,0.3490250839558632,0.19002295935850866,0.16963367829483927,0.17731820985539032,0.22149998286615036
EOS-3-55830,Cc1cc(-c2nnc3cncc(OCc4cc(-c5sccc5C)ccc4F)n23)ccc1OC(F)F,LKOWVBDWGKEVRN-UHFFFAOYSA-N,3,1,0.568,1,521,496.514,6.456,5,0.259,0.77,1.0,0.9481615379343431,0.9366818586800082,0.9719433212254129,0.9420190528407922,0.9497014426701391
EOS-3-55831,FC(F)c1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4Oc4ncc(Cl)cn4)n23)nn1,QVEUWHXUHUVMKR-UHFFFAOYSA-N,3,1,0.333,85,476,501.284,4.999,5,0.32,0.55,1.0,0.590029812898362,0.6614522650949215,0.7642039613460352,0.7835652114317044,0.6998128126927559
EOS-3-55832,C#Cc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)cn1,HJHVPIOEOPRDEK-UHFFFAOYSA-N,3,1,0.608,90,636,391.818,2.892,4,0.526,0.74,1.0,0.8200346103762594,0.8619011719553149,0.8680607908984991,0.8246778836268933,0.8436686142142417
EOS-3-55833,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)s5)n34)cc2Cl)ccc1F,JMNOLZUBUBTHMG-UHFFFAOYSA-N,3,1,0.541,57,31,496.354,6.416,5,0.281,0.68,1.0,0.9293657048865739,0.9582962099924611,0.9789339318758139,0.9861301487218148,0.9631814988691658
EOS-3-55834,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncc(Cl)c5)cn4)n23)cn1,ZTKVCDAFNMPGKG-UHFFFAOYSA-N,3,1,0.417,51,969,505.901,2.97,5,0.338,0.74,1.0,0.5024158727983004,0.3829843739291344,0.19940374203275993,0.1911023918854088,0.3189765951614009
EOS-3-55835,CC1CC(F)CN1c1ncc(-c2cc(-c3nnc4cncc(OCCc5nccs5)n34)ccn2)cn1,YBXFAJACIFKKLR-UHFFFAOYSA-N,3,1,0.553,75,454,503.567,3.658,6,0.329,0.65,1.0,0.49999143307518334,0.28503015557535466,0.057561167843191006,0.07463504900280996,0.22930445137413474
EOS-3-55836,Fc1cc(-c2cnc(Cl)nn2)cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1Cl,HVSMGQFOBLADKI-UHFFFAOYSA-N,3,1,0.605,34,607,502.724,5.322,5,0.321,0.71,1.0,0.9664262216434789,0.9793023096429305,0.9306935782331575,0.9585360838873278,0.9587395483517237
EOS-3-55837,CNC(=O)c1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)nc(C)n2)cc1F,BODCVUUKLUXHKK-UHFFFAOYSA-N,3,1,0.37,51,196,505.901,3.078,5,0.369,0.68,1.0,0.5229250908094031,0.34946199712151327,0.25978342814063465,0.21988725926941266,0.33801444383524093
EOS-3-55838,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)n23)cc1,LLRWPDDFBOAKSP-UHFFFAOYSA-N,3,1,0.446,66,264,505.422,5.312,5,0.373,0.84,1.0,0.44168494277294224,0.5189500376944692,0.995099719004866,0.9876893290384483,0.7358560071276814
EOS-3-55839,CNC(=O)c1ccc(-c2nnc3cncc(CCc4nccc(C)c4F)n23)cc1,DJMQEZCQZCTLKK-UHFFFAOYSA-N,3,1,0.446,66,646,390.422,2.779,4,0.566,0.81,1.0,0.2913354122404222,0.2442001918991159,0.3147745185388253,0.2226715098348297,0.2682454081282983
EOS-3-55840,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6cccnc6Cl)ns5)n34)cc2)cn1,HLGIBJACLAWRMG-UHFFFAOYSA-N,3,1,0.467,56,25,501.963,4.338,6,0.31,0.63,1.0,0.4210386539647728,0.5417380577068056,0.2527756836406004,0.2967925433486396,0.3780862346652046
EOS-3-55841,COc1nc(-c2cnnn2C)ccc1-c1nnc2cncc(OCCc3cc(Cl)sc3Cl)n12,JUXHLGSVMOSWAG-UHFFFAOYSA-N,3,1,0.467,31,180,503.375,3.98,5,0.329,0.62,0.998,0.42104722088958946,0.4692104722088959,0.22752038928106366,0.2581214447262011,0.3439748817764375
EOS-3-55842,Cc1cnc(-c2nnc3cncc(Cl)n23)c(-c2ccc(C(F)(F)F)nn2)n1,FKYCJSDFDIXKDJ-UHFFFAOYSA-N,3,1,0.438,68,542,392.732,3.019,4,0.517,0.6,0.843,0.25356384072373384,0.39699129600438626,0.6832893564526078,0.634492152696868,0.49208416146939893
EOS-3-55843,Fc1cncc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)c1,XAZFTINJDNKWGH-UHFFFAOYSA-N,3,1,0.481,68,900,391.288,2.713,4,0.494,0.76,1.0,0.8227331916935097,0.8136693852374751,0.8837468302378179,0.7515420464670002,0.8179228634089507
EOS-3-55844,Fc1cncc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)c1,MEAVTHISRDBULM-UHFFFAOYSA-N,3,1,0.43,68,127,391.288,2.713,4,0.494,0.78,0.999,0.6745596600644232,0.6135717222945651,0.9255876910424234,0.85003598108423,0.7659387636214104
EOS-3-55845,Cn1ncnc1-c1cc(F)c(-c2cncc3nnc(-c4cnc(OCCC5CCOCC5)cn4)n23)cn1,PNYQIGOJVFZGCU-UHFFFAOYSA-N,3,1,0.316,33,974,502.514,2.773,6,0.327,0.52,0.994,0.21544102528956205,0.12760434514426702,0.010357412103351381,0.04551607155095607,0.09972971352203414
EOS-3-55846,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5ccc(C(=O)OCCC(F)F)cn5)n34)c2)nc1C,QNYINKICHUYCDJ-UHFFFAOYSA-N,3,1,0.273,52,523,502.485,4.134,5,0.302,0.62,1.0,0.19905249811527653,0.19003152628332534,0.2669710780618189,0.21989582619422932,0.21898773216366255
EOS-3-55847,FCc1cc(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cnncc5Cl)nn4)n23)ccc1F,BMGHHTGDDMBJKK-UHFFFAOYSA-N,3,1,0.27,39,972,503.864,3.548,6,0.347,0.55,1.0,0.04257761633883901,0.17725824138167365,0.4364591186347749,0.5678586114728257,0.3060383969570283
EOS-3-55848,FC(F)c1ccc(-c2nnc3cncc(OCc4ccc(-c5ncncc5Cl)cc4)n23)c(Cl)n1,MHIPGUDSWHYPJL-UHFFFAOYSA-N,3,1,0.505,27,679,500.296,5.467,5,0.286,0.62,0.997,0.9589986978274279,0.9143907203070386,0.9247138647111233,0.9205332054005894,0.9296591220615448
EOS-3-55849,Cc1nc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ncc1F,YNGGDDGSNUWBHK-UHFFFAOYSA-N,3,1,0.367,63,437,389.394,2.588,5,0.576,0.87,1.0,0.21832807895277911,0.1730347474470564,0.08530943732437804,0.12556541703790008,0.15055942019052843
EOS-3-55850,Fc1cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)ccc1Cl,QWEJWCFMSNVTAL-UHFFFAOYSA-N,3,1,0.644,23,255,391.74,3.836,4,0.495,0.77,1.0,0.9761411143855802,0.9802361044479474,0.9747704064149133,0.9783513809882805,0.9773747515591803
EOS-3-55851,Cc1nc(-c2cc3nc(-c4cncc5nnc(-c6nccnc6-c6cccc(F)c6)n45)ccn3n2)n(C)n1,ZXPHIUKKKWSNTP-UHFFFAOYSA-N,3,1,0.276,39,972,504.493,3.201,7,0.355,0.61,0.842,0.12700466040710026,0.190040093208142,0.05947159207730793,0.1165615790555822,0.1232694811870331
EOS-3-55852,Cn1cncc1-c1cncc2nnc(-c3ccc(C(=O)NC4(C)CC4)cc3F)n12,ORVPKLREOSWACY-UHFFFAOYSA-N,3,1,0.363,63,437,391.41,2.613,5,0.578,0.72,1.0,0.12701322733191694,0.2085103831128778,0.12149612774998286,0.20240216571859365,0.16485547597834282
EOS-3-55853,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(C(F)(F)F)nc3-c3cncnn3)n12,KGQRGPZUVFXAFD-UHFFFAOYSA-N,3,1,0.474,73,446,503.807,3.824,5,0.33,0.6,1.0,0.8959975327256527,0.9436981701048591,0.8435936536220958,0.7928860256322391,0.8690438455212117
EOS-3-55854,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ncn(-c5ccc(Cl)c(Cl)c5)n4)n23)cc1,DRZHVXJZJNDXFI-UHFFFAOYSA-N,3,1,0.294,39,144,504.316,4.942,6,0.335,0.77,0.602,0.07142245219655953,0.24914330751833322,0.6417740387910356,0.8127527242820917,0.44377313069700497
EOS-3-55855,Fc1cccc(-c2cnc(-c3nnc4cncc(Cc5ccc(F)c(OC(F)(F)F)c5)n34)cc2F)c1,NPOYOGPGJXKGET-UHFFFAOYSA-N,3,1,0.381,57,358,501.39,5.76,5,0.287,0.76,0.999,0.8604105270372148,0.8558614899595641,0.9967788362689329,0.9969673086148996,0.9275045404701528
EOS-3-55856,Fc1cc(COc2cncc3nnc(-c4cccc(F)c4F)n23)cnc1Cl,BRRYXHLFUXSWGC-UHFFFAOYSA-N,3,1,0.551,23,255,391.74,3.836,4,0.495,0.77,1.0,0.9241227468987732,0.932227057775341,0.9691762045096293,0.9738623123843465,0.9498470803920225
EOS-3-55857,Fc1ccc(-c2nnc3cncc(-c4ccc(Cl)cc4Cl)n23)cc1Cl,ROXLRTWRYSJOBP-UHFFFAOYSA-N,3,1,0.452,45,102,393.636,5.558,4,0.448,0.87,1.0,0.5229336577342197,0.8429682681104791,0.9922812007401823,0.99951168528545,0.8394237029675828
EOS-3-55858,Cc1ncccc1-c1ccc(-c2cncc3nnc(-c4cnc(C(C)(O)c5cccc(F)c5)nc4)n23)nc1,NULOJWKSJHCUNL-UHFFFAOYSA-N,3,1,0.327,32,20,504.529,4.409,6,0.367,0.67,0.999,0.3467377150298129,0.4427301076005757,0.7617709546981015,0.6374905763827017,0.547182338427798
EOS-3-55859,Fc1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc1Cl,OBYICXQYTOVBAB-UHFFFAOYSA-N,3,1,0.644,23,255,391.74,3.836,4,0.495,0.76,1.0,0.9716092111575629,0.9696045507504626,0.97477897333973,0.9783599479130971,0.9735881707902131
EOS-3-55860,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc(C(F)(F)F)n2)cn1,IFGUQAWOYTZUJG-UHFFFAOYSA-N,3,1,0.484,27,69,502.407,4.517,5,0.315,0.6,1.0,0.592942567336029,0.6564406140771709,0.9727571790829964,0.897899390034953,0.7800099376327874
EOS-3-55861,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4cc(F)c(F)cn4)n23)c1,YYRMCIBDSJZELW-UHFFFAOYSA-N,3,1,0.288,22,917,391.345,2.322,5,0.465,0.76,1.0,0.1656157905558221,0.20851895003769447,0.36654444520594887,0.4767664998971969,0.30436142142416556
EOS-3-55862,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)ccc1Cl,LVTJRLGJLFABHU-UHFFFAOYSA-N,3,1,0.584,90,255,391.193,3.606,4,0.529,0.78,1.0,0.8943955177849359,0.9643530258378452,0.8339558632033446,0.8951237063943527,0.8969570283051196
EOS-3-55863,COc1ncccc1-c1nn(C)c(C(F)F)c1-c1cncc2nnc(-c3ccc(C(F)(F)F)nc3)n12,LZLOTGNQZMOMNA-UHFFFAOYSA-N,3,1,0.417,27,243,502.407,4.614,5,0.324,0.64,1.0,0.35571585223768076,0.4913988074840655,0.9115722020423549,0.7694811870331026,0.6320420121993009
EOS-3-55864,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(F)c(F)c3)n12,UCLRMZGPDNLMBB-UHFFFAOYSA-N,3,1,0.579,23,255,391.74,3.836,4,0.495,0.78,1.0,0.9507830169282434,0.9716691796312795,0.9687050236447124,0.9743506270988965,0.966376961825783
EOS-3-55865,COc1cc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)ccc1-c1csc(C)n1,IAKOBRMGQVTSOD-UHFFFAOYSA-N,3,1,0.506,59,383,499.93,5.742,5,0.277,0.69,1.0,0.9408196833664588,0.9013432938112536,0.9132341854567885,0.8700311836063327,0.9063570865602084
EOS-3-55866,Fc1ccc(-c2ncncc2COc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)cc1,HFCCNDMUMCUADF-UHFFFAOYSA-N,3,1,0.489,77,427,499.893,5.275,6,0.305,0.53,1.0,0.8376910424234117,0.8291755191556439,0.8192978548420259,0.8368000822424783,0.83074112466589
EOS-3-55867,Cc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccc(Oc6ccccn6)nn5)n34)c2)nc1,XHLHJEFZJWPOPS-UHFFFAOYSA-N,3,1,0.43,28,942,503.526,4.156,6,0.299,0.63,1.0,0.3788294153930505,0.18153313686519087,0.22752895620588034,0.1636967993968885,0.23789707696525256
EOS-3-55868,Cn1nnc(-c2cccc(-c3cncc4nnc(-c5nccnc5-c5cc(F)c(Cl)c(F)c5)n34)n2)n1,XTLGXMGDZHEGOY-UHFFFAOYSA-N,3,1,0.269,39,972,503.864,3.432,6,0.332,0.56,0.82,0.18500274141594134,0.26420396134603524,0.3183983277362758,0.455229250908094,0.3057085703515866
EOS-3-55869,N#Cc1nc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)ccc1Cl,STUQMNYFGPFUFF-UHFFFAOYSA-N,3,1,0.477,66,646,389.806,2.401,4,0.571,0.79,1.0,0.28844835857720513,0.2955075046261394,0.492546775409499,0.4678568980878624,0.3860898841751765
EOS-3-55870,Clc1ccc(Cl)c(OCCCOc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)c1,BKFNAYXLQKWOAA-UHFFFAOYSA-N,3,1,0.453,2,884,498.395,6.07,5,0.242,0.72,1.0,0.6985813172503598,0.6271331642793503,0.810088410664108,0.8584915358782811,0.7485736070180248
EOS-3-55871,Cn1nnnc1-c1cccc(-c2cncc3nnc(-c4nccnc4-c4cc(F)c(Cl)c(F)c4)n23)c1,SHGCJNGVUFBNBN-UHFFFAOYSA-N,3,1,0.299,39,27,502.876,4.037,6,0.332,0.52,1.0,0.17630731272702352,0.3105338907545747,0.5441539305051059,0.6749366047563566,0.42648293468576515
EOS-3-55872,Clc1ccc(-c2ccsc2)cc1COc1cncc2nnc(-c3ccc(-c4ccccn4)cc3)n12,BQVGILHXRSSVFV-UHFFFAOYSA-N,3,1,0.512,41,427,495.995,6.814,6,0.254,0.79,1.0,0.8832413816736344,0.8395500651086286,0.9035107257898705,0.9096360770337879,0.8839845624014804
EOS-3-55873,CCc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)O)cc4OC)n23)cn1,VGMVCMLBOXRMAP-UHFFFAOYSA-N,3,1,0.36,68,364,390.403,2.441,4,0.534,0.79,0.998,0.157391542731821,0.010614419847851416,0.13266739771091768,0.040375916660955385,0.08526231923788638
EOS-3-55874,C#Cc1cc(F)cc(-c2nnc3cncc(-c4nccnc4-c4ccccc4)n23)c1,DUJRUSMJZCTLBM-UHFFFAOYSA-N,3,1,0.359,96,837,392.397,4.036,5,0.434,0.76,1.0,0.29931978616955657,0.3876447810294017,0.748115276540333,0.8039202247961071,0.5597500171338496
EOS-3-55875,Fc1ccnc(-c2ccc(-c3nnc4cncc(-c5cnnc(-n6ccc(C(F)(F)F)n6)c5)n34)nc2)c1,PVJFGYSEDUKZMQ-UHFFFAOYSA-N,3,1,0.284,70,151,504.411,4.049,6,0.331,0.63,1.0,0.056747309985607564,0.19452916181207594,0.87492289767665,0.8103111507093413,0.48412763004591874
EOS-3-55876,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)c(F)c4)n23)c(Cl)c1,VEFJCCILZMFJKG-UHFFFAOYSA-N,3,1,0.63,88,781,501.324,5.398,5,0.292,0.66,1.0,0.8889469536015352,0.9038105681584538,0.9574395175107944,0.9604722088958947,0.9276673120416694
EOS-3-55877,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cnc(C#Cc5ccc(F)cn5)nc4)n23)cc1,DEQCUBGOJSJBLU-UHFFFAOYSA-N,3,1,0.473,56,415,504.489,2.89,6,0.326,0.62,1.0,0.6896631485162086,0.5417466246316223,0.44021143170447535,0.337733877047495,0.5023387704749503
EOS-3-55878,CCc1nc(-c2nnc3cncc(OCc4sccc4F)n23)ccc1-c1ccc(-c2nnco2)cc1,MWSABMXYYDYWCN-UHFFFAOYSA-N,3,1,0.38,81,117,499.531,5.245,6,0.294,0.58,0.997,0.5331625659653211,0.5512816119525735,0.440219998629292,0.40769138510040437,0.48308889041189773
EOS-3-55879,Cc1cc(-c2cnnc(COc3cncc4nnc(-c5ccc(C(=O)NCCF)c(F)c5)n34)c2)n(C)n1,WDZPBJYTJHHPTG-UHFFFAOYSA-N,3,1,0.417,36,788,505.489,2.708,5,0.341,0.66,1.0,0.33244808443561097,0.21832807895277911,0.25278425056541703,0.16644678226303886,0.2425017990542115
EOS-3-55880,FC(F)(F)Oc1ncnnc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1,XZXIJDYLCAYURQ-UHFFFAOYSA-N,3,1,0.396,51,946,502.804,2.959,5,0.316,0.53,1.0,0.8122130080186416,0.8675896100335824,0.6969450346103763,0.6170498937701323,0.7484493866081832
EOS-3-55881,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cc(F)ccn4)n23)cc1F,UIAJEGXCWUZNGA-UHFFFAOYSA-N,3,1,0.299,22,917,391.345,2.322,5,0.465,0.76,1.0,0.19906106504009322,0.3105424576793914,0.3479884860530464,0.48290898499074775,0.3351252484408197
EOS-3-55882,N=c1nc(-c2ccc(C(F)F)nc2)cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)[nH]1,AVUYTWICUPLSCA-UHFFFAOYSA-N,3,1,0.4,59,607,500.391,3.99,5,0.269,0.57,0.994,0.5840843670755945,0.464849907477212,0.9590329655266946,0.9258104310876568,0.7334444177917895
EOS-3-55883,Cc1ccc(-c2nnc3cncc(CCc4cccc(-c5ccccc5)n4)n23)nc1,HENSLZKUTSBSNL-UHFFFAOYSA-N,3,1,0.33,14,886,392.466,4.342,5,0.445,0.77,1.0,0.13799602494688507,0.12761291206908368,0.3108594338976081,0.35365122335686383,0.2325298985676102
EOS-3-55884,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4nc(-c5cccc(OC(F)F)c5)ns4)n23)cc1,WTJWBHWDNXGHPP-UHFFFAOYSA-N,3,1,0.389,62,302,505.51,4.47,6,0.348,0.78,1.0,0.40511274073058734,0.46921903913371255,0.3782211637310671,0.4425844698786923,0.42378435336851483
EOS-3-55885,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnn5C5CCOCC5)cc4)n23)cn1,XDPDCNKSZGOKFA-UHFFFAOYSA-N,3,1,0.287,98,882,504.558,3.864,7,0.348,0.69,1.0,0.05843499417449113,0.008189980124734425,0.033582345281337814,0.08347611541361113,0.045920858748543625
EOS-3-55886,Cc1cc(F)c2c(=O)n(-c3cccc(-c4cncc5nnc(-c6cc(Cl)ccc6F)n45)n3)ncc2c1,YIEVOOAAJGJFAA-UHFFFAOYSA-N,3,1,0.288,45,140,501.884,4.792,6,0.346,0.58,0.247,0.20165684325954356,0.44273867452539234,0.7781937495716538,0.865070934137482,0.571915050373518
EOS-3-55887,Fc1ccccc1-c1nnc2cncc(-c3nnc(-c4ccc(Cl)nc4)[nH]3)n12,SWBJAYOFQCAOHA-UHFFFAOYSA-N,3,1,0.444,22,407,392.785,3.431,5,0.472,0.67,0.91,0.2511394010006168,0.48687547118086494,0.5676101706531423,0.7277259954766637,0.508337759577822
EOS-3-55888,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nnc(-c6cccnn6)o5)n34)c(Cl)c2)cs1,CBVVDSHOZZXADK-UHFFFAOYSA-N,3,1,0.457,81,218,503.935,4.296,6,0.324,0.73,1.0,0.517382290453019,0.6369165924199849,0.15692892879172093,0.19932663970940992,0.3776386128435337
EOS-3-55889,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4F)n23)ccc1-c1cc(=O)n(C)n1C,JZDCMASIMRZMRQ-UHFFFAOYSA-N,3,1,0.468,43,458,503.469,3.233,5,0.35,0.57,0.999,0.6410715509560688,0.5946216846000959,0.8158967856898088,0.6868274964018916,0.6846043794119663
EOS-3-55890,CCOC(=O)c1ccc(-c2nnc3cncc(-c4nc(COCCc5ccccc5)nn4C)n23)cc1F,OQWHOZXBJXUBQZ-UHFFFAOYSA-N,3,1,0.379,62,124,501.522,3.662,5,0.222,0.68,1.0,0.11626173668699884,0.15322801727092042,0.14179973956548558,0.1362055376602015,0.13687375779590158
EOS-3-55891,Cn1cnc(-c2cc(Cl)ccc2F)c1-c1nnc2cncc(-c3ncnc(-c4ccnc(F)c4)n3)n12,MTWIBTVVABBKPL-UHFFFAOYSA-N,3,1,0.287,29,136,502.876,4.037,6,0.332,0.54,0.235,0.159867384003838,0.33964430128161194,0.46501267904872867,0.589849907477212,0.3885935679528476
EOS-3-55892,Cc1ccc(-c2nnc3cncc(CCc4ccc(-c5cccnc5)nc4)n23)cc1,QLYPVKZPDIKDHZ-UHFFFAOYSA-N,3,1,0.402,14,886,392.466,4.342,5,0.445,0.78,1.0,0.24289801932698238,0.21336782948392846,0.5374631622232884,0.5185045576040025,0.3780583921595504
EOS-3-55893,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)cnc1Cl,QKRYPSBZPSHBLH-UHFFFAOYSA-N,3,1,0.446,46,244,391.193,3.606,4,0.495,0.78,1.0,0.8122215749434583,0.8253718045370434,0.8339644301281612,0.8870279624426016,0.8396464430128161
EOS-3-55894,CCc1cnc(COc2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)cn1,UYSXKADJYJZELR-UHFFFAOYSA-N,3,1,0.455,7,127,390.407,1.477,4,0.526,0.79,1.0,0.39457542320608596,0.20852751696251115,0.033590912206154476,0.007958673154684395,0.161163131382359
EOS-3-55895,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1-c1ncc(Cl)nn1,QBYRMOSLOOUDHX-UHFFFAOYSA-N,3,1,0.575,34,146,502.724,5.322,5,0.321,0.67,1.0,0.9360993077924749,0.9710095264203962,0.891971078061819,0.9412994311561922,0.9350948358577205
EOS-3-55896,FC(F)c1ccc(-c2csc(-c3nnc4cncc(CCc5nc(-c6ccccc6)no5)n34)n2)cc1,UDDRBSOIKBIISQ-UHFFFAOYSA-N,3,1,0.357,30,886,501.522,5.688,6,0.277,0.78,1.0,0.22931087656774723,0.32541463916112673,0.3965458159139195,0.48598451099993145,0.3593139606606812
EOS-3-55897,Fc1cc(-c2ccc(Cl)nc2)ncc1-c1nnc2cncc(Cc3ccc(-c4ccccn4)s3)n12,NFYBFFJBPHDXBW-UHFFFAOYSA-N,3,1,0.347,32,20,499.962,5.755,6,0.281,0.64,1.0,0.30182989514084024,0.46485847440202865,0.6969536015351929,0.7618908916455349,0.5563832156808992
EOS-3-55898,FCc1ncc(-c2nnc3cncc(-c4cc(F)nc(-c5cnco5)c4)n23)cn1,ILTIQAMKBBINOH-UHFFFAOYSA-N,3,1,0.329,50,489,392.329,2.907,5,0.43,0.7,1.0,0.32729079569597697,0.3208484682338428,0.37436604756356656,0.3858028921938181,0.35207705092180114
EOS-3-55899,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C(F)(F)F)nn5)cc4OC)n23)nc1,JWUPROOYWIOLHG-UHFFFAOYSA-N,3,1,0.297,61,523,506.448,3.697,5,0.383,0.73,0.957,0.5254094990062367,0.4868840381056816,0.8159053526146255,0.5710540744294428,0.5998132410389966
EOS-3-55900,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc5c(OCc6cccc(F)c6)nccc45)n23)cn1,NVRBZZLFQGENNN-UHFFFAOYSA-N,3,1,0.345,62,3,505.513,4.479,6,0.356,0.77,1.0,0.5644147076965252,0.5096549242683847,0.6116784319100815,0.5384055239531218,0.5560383969570283
EOS-3-55901,CCCc1ccc(-c2nnc3cncc(OCc4ccc(C(C)=O)s4)n23)cc1,WPSARQLSMOLDLP-UHFFFAOYSA-N,3,1,0.538,63,536,392.484,4.587,4,0.43,0.84,1.0,0.5613905832362415,0.36883181413199917,0.27454423959975327,0.15077787677335344,0.33888612843533683
EOS-3-55902,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)cn4)n23)nc1,FHHPRUXZPHRTBH-UHFFFAOYSA-N,3,1,0.389,63,505,389.394,2.203,5,0.562,0.82,1.0,0.1270217942567336,0.13807312727023507,0.09235144952367898,0.16138372969638817,0.12970752518675896
EOS-3-55903,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)ccc1Cl,XMHJAEIOCHIMGJ-UHFFFAOYSA-N,3,1,0.584,90,255,391.193,3.606,4,0.529,0.75,1.0,0.9007350421492701,0.9643615927626619,0.8451614008635461,0.8965972174628195,0.9017138133095745
EOS-3-55904,Fc1cccc(-c2nnc(-c3nnc4cncc(Cn5cncn5)n34)cc2F)c1,NGTBUQJGLPOGPC-UHFFFAOYSA-N,3,1,0.354,22,844,391.345,2.166,5,0.463,0.78,1.0,0.20455246384757728,0.279787197587554,0.2820659995887876,0.43327222260297443,0.29991947090672333
EOS-3-55905,Cc1nc(-c2nnc3cncc(-c4cn(-c5cnc(F)nc5)nn4)n23)ncc1F,WABCLURVAHXGCN-UHFFFAOYSA-N,3,1,0.224,50,206,393.321,1.206,5,0.416,0.61,1.0,0.004746076348433966,0.056558837639640876,0.07173942841477624,0.0987852100609965,0.05795738811596189
EOS-3-55906,Clc1cc(-c2cn3ccccc3n2)ccc1-c1cncc2nnc(-c3ncc(-c4ccccc4)cn3)n12,BEPSPZUVFHAVPR-UHFFFAOYSA-N,3,1,0.27,30,696,500.953,5.883,7,0.3,0.7,1.0,0.17920293331505724,0.3105510246042081,0.6723322596120896,0.7835737783565211,0.48641499897196905
EOS-3-55907,Fc1cc(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)cnc1F,SRWSTFRKZGEKIG-UHFFFAOYSA-N,3,1,0.539,23,255,391.74,3.836,4,0.495,0.72,1.0,0.8960060996504695,0.9062949763552876,0.9605835789185114,0.9690991021862793,0.932995939277637
EOS-3-55908,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,LGHIAADNXVGDMM-UHFFFAOYSA-N,3,1,0.595,73,446,391.193,3.606,4,0.529,0.74,1.0,0.8757453224590501,0.9472191762045097,0.7481238434651497,0.855013364402714,0.8565254266328559
EOS-3-55909,CCn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5OCCOC)n34)cc2)ncc1=O,NZOANBPJXNXHSI-UHFFFAOYSA-N,3,1,0.327,96,697,502.962,4.381,5,0.29,0.67,1.0,0.3467462819546296,0.3638287300390652,0.5640463299294085,0.5352186279213214,0.4524599924611062
EOS-3-55910,CCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cc(Cl)cc(C#N)c1,XLWAJARLQRBYLW-UHFFFAOYSA-N,3,1,0.374,46,717,503.353,4.963,5,0.319,0.67,0.484,0.6683743403467891,0.6856623946268248,0.6263535741210335,0.6868360633267082,0.6668065931053389
EOS-3-55911,Cc1ccc(-c2cc(-c3nnc4cncc(COCc5cccc(-c6cncnc6)n5)n34)ccn2)c(=O)[nH]1,ZOPZDVQLYPSZCM-UHFFFAOYSA-N,3,1,0.345,28,868,503.526,3.419,6,0.347,0.56,1.0,0.2993283530943732,0.11128435336851483,0.37038242752381606,0.3063960660681242,0.27184780001370706
EOS-3-55912,Cc1nccc(-c2nc(-c3nnc4cncc(CC5(F)CCC5)n34)ccc2F)n1,REWOVAOXQFJSOV-UHFFFAOYSA-N,3,1,0.333,78,878,393.401,3.526,5,0.528,0.58,0.809,0.2667997395654856,0.36383729696388184,0.05009080940305668,0.24611061613323282,0.23170961551641422
EOS-3-55913,Fc1ccc(Cl)cc1Cc1cncc2nnc(-c3ccc(F)c(F)c3F)n12,YMYUMMXGRNFPCH-UHFFFAOYSA-N,3,1,0.398,23,627,392.743,4.592,4,0.378,0.84,1.0,0.5229422246590364,0.8020098005619902,0.9940973888013159,0.9985521897059831,0.8294004009320814
EOS-3-55914,COc1nc(-c2nnc3cncc(OCCc4c(C)nc(C)nc4Cl)n23)ccc1-c1ncccc1C,UBSNYETWLUSPFG-UHFFFAOYSA-N,3,1,0.416,49,501,502.966,4.247,5,0.301,0.59,0.997,0.6128692344595984,0.4914073744088822,0.09692618737577958,0.07064286203824276,0.3179614145706257
EOS-3-55915,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3cncc(Cl)n3)n12,GTGNJLLITFUJKV-UHFFFAOYSA-N,3,1,0.513,90,877,391.193,3.606,4,0.529,0.74,1.0,0.6777208553217737,0.8214738537454596,0.755054485641834,0.8618840381056816,0.7790333082036872
EOS-3-55916,CCn1cncc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)cc1,NXYJYDIYEJHUNK-UHFFFAOYSA-N,3,1,0.485,69,504,503.541,5.733,6,0.313,0.84,1.0,0.2208381879240628,0.2389829346857652,0.7528527859639503,0.6749451716811733,0.4719047700637379
EOS-3-55917,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(C5CC5)ncn4)n23)c(F)c1,VDOBSDGVWQTJJL-UHFFFAOYSA-N,3,1,0.36,63,437,389.394,2.624,5,0.576,0.87,1.0,0.2535724076485505,0.2642125282708519,0.17942567336029058,0.22268007675964635,0.22997267150983486
EOS-3-55918,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5nc(-c6ccccc6)cs5)n4)n23)cc1,PESFUKSKVWTAPX-UHFFFAOYSA-N,3,1,0.325,25,465,504.543,3.353,7,0.346,0.61,1.0,0.05483688575149064,0.08238811596189431,0.028767733534370503,0.046869645671989583,0.05321559522993626
EOS-3-55919,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(SC)nc(-c5ccc(Cl)c(F)c5)n4)n23)cc1,VHDKEQXOKIGQQL-UHFFFAOYSA-N,3,1,0.408,29,316,506.954,4.184,5,0.353,0.83,1.0,0.334872524158728,0.41605270372147213,0.35552737989171407,0.3505842642724967,0.3642592180111027
EOS-3-55920,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)c(Cl)c2)s1,CPAJGJCFAUMYLG-UHFFFAOYSA-N,3,1,0.557,37,832,502.362,5.081,5,0.299,0.64,1.0,0.8253546706874101,0.8814166266876842,0.6322390514700843,0.7062144472620109,0.7613061990267973
EOS-3-55921,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5C)cc4F)n23)cc1Br,JFMFBLUDPBEIKC-UHFFFAOYSA-N,3,1,0.343,61,917,508.315,2.91,5,0.397,0.83,1.0,0.33003221163731067,0.30536803509012406,0.3257316153793434,0.3247292851757933,0.32146528682064285
EOS-3-55922,Fc1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)nc(-c5cncc(F)c5F)n4)n23)nc1,QMEXFQIDUFLXGH-UHFFFAOYSA-N,3,1,0.396,73,128,504.354,4.053,5,0.33,0.6,1.0,0.8122301418682749,0.8291840860804606,0.94935234048386,0.9063035432801042,0.874267527928175
EOS-3-55923,Cn1c(C(=O)N2CCC(c3cc(F)cc(F)c3F)C2)ccc1-c1cncc2nnc(-c3ccccc3)n12,TXSUSYFDZYOGLG-UHFFFAOYSA-N,3,1,0.342,62,376,502.5,4.844,6,0.33,0.6,0.853,0.16277157151668836,0.25914090877938456,0.47888253032691386,0.671989582619423,0.39319614831060246
EOS-3-55924,CC(C)n1ncnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cn3)n12,UQYYJCOFQUQJNR-UHFFFAOYSA-N,3,1,0.275,63,108,389.423,1.918,5,0.554,0.87,0.923,0.03969912960043863,0.03819991775752176,0.004934548694400658,0.0030583921595504077,0.021472997052977862
EOS-3-55925,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5sncc5Br)n34)cc2F)s1,UJWXMSSBIZHZBV-UHFFFAOYSA-N,3,1,0.518,16,772,504.37,4.555,5,0.347,0.69,1.0,0.6558837639640874,0.6856709615516414,0.21342779795764513,0.27002947022136936,0.45625299842368583
EOS-3-55926,Clc1c(Br)cncc1CCOc1cncc2nnc(-c3cc(-c4cncs4)n[nH]3)n12,XYOAPFACEXDJFE-UHFFFAOYSA-N,3,1,0.457,65,963,503.773,4.07,5,0.372,0.55,0.998,0.467454252621479,0.44737338085120965,0.3928277705434857,0.4709324240970461,0.4446469570283051
EOS-3-55927,N#Cc1cc(OC(F)F)cc(-c2cnnc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)c1,IOZZCDGIKGGFEO-UHFFFAOYSA-N,3,1,0.434,35,207,504.432,3.877,5,0.31,0.67,1.0,0.820043177301076,0.8732352134877664,0.9210215201151395,0.8991415941333699,0.8783603762593379
EOS-3-55928,Cn1nnc(-c2ccc(Cl)c(COc3cncc4nnc(-c5ccc(Cl)c(C(F)F)c5)n34)c2)n1,NYLHUJFJLHCOQC-UHFFFAOYSA-N,3,1,0.537,43,258,503.3,4.805,5,0.328,0.64,1.0,0.7619936947433349,0.8732437804125831,0.9056781577684874,0.9140566102391885,0.8637430607908985
EOS-3-55929,N#Cc1ccc(-c2nnc3cncc(Cc4cc(-c5ccccn5)ncn4)n23)nc1,PFQUULOWYCNJQC-UHFFFAOYSA-N,3,1,0.376,85,60,391.398,2.501,5,0.458,0.7,1.0,0.16817730107600576,0.12762147899390036,0.30003940785415667,0.32173086148995955,0.2293922623535056
EOS-3-55930,Cn1cc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6ccsc6)c(Cl)c5)n34)c2)cn1,MQSHCJWHAOYNGY-UHFFFAOYSA-N,3,1,0.523,41,190,498.999,6.153,6,0.275,0.66,1.0,0.6322133506956343,0.6226440956754163,0.8735778904804331,0.8633232814748818,0.7479396545815914
EOS-3-55931,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Oc6ccccn6)nc5)n34)cn2)n1,PXDDYGRHAHLCRR-UHFFFAOYSA-N,3,1,0.489,6,318,504.514,3.551,6,0.301,0.64,1.0,0.6097765746007813,0.46922760605852926,0.1634226578027551,0.10495339592899733,0.3368450585977657
EOS-3-55932,c1ccc2ncc(-c3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2c1,ALTAAVLHAYWVAF-UHFFFAOYSA-N,3,1,0.278,10,945,391.398,3.187,6,0.493,0.75,0.976,0.1135031868960318,0.2036700705914605,0.3108680008224248,0.3827187992598177,0.2526900143924337
EOS-3-55933,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)n23)nc1,LZTXFBRLNFSILM-UHFFFAOYSA-N,3,1,0.368,66,264,506.41,4.707,5,0.397,0.71,1.0,0.2456137344938661,0.3541309711465972,0.9884517853471317,0.9723116989925297,0.6401270474950311
EOS-3-55934,CCNC(=O)c1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c2)nc1,RXOZGYYGMMFXHI-UHFFFAOYSA-N,3,1,0.386,59,692,505.46,3.994,5,0.333,0.68,1.0,0.522950791583853,0.33465835103831126,0.7666284010691522,0.6690596943321225,0.5733243095058598
EOS-3-55935,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cn(-c5ccc(Cl)cc5)nn4)n23)cc1Cl,BVMUSWDGBQXRSN-UHFFFAOYSA-N,3,1,0.311,10,783,504.316,4.942,6,0.335,0.68,0.934,0.06372078678637516,0.2745870742238366,0.7890137756151052,0.8883044342402852,0.5039065177164005
EOS-3-55936,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cc(Cl)n2)cn1,IMUOLDHBYPOJMB-UHFFFAOYSA-N,3,1,0.517,27,430,501.831,5.034,5,0.246,0.68,1.0,0.9514769378383935,0.952419299568227,0.9810071276814475,0.9579449660749777,0.9607120827907615
EOS-3-55937,Cc1nc(-c2cc(Cl)ccc2-c2nnc3cncc(-c4cc(C(F)(F)F)nc(CF)n4)n23)n(C)n1,LGKXDELBEDNLLW-UHFFFAOYSA-N,3,1,0.318,50,542,503.851,4.494,5,0.333,0.62,0.818,0.367341169213899,0.5055428003563841,0.6995408128298266,0.6345007196216846,0.5517313755054486
EOS-3-55938,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(F)c(C5CC5)n4)n23)cc1,GUCQHEJJWCZHTI-UHFFFAOYSA-N,3,1,0.385,63,437,389.394,2.624,5,0.576,0.86,1.0,0.2968096771982729,0.22883112877801384,0.06529710095264205,0.09665204578164623,0.17189748817764375
EOS-3-55939,Cn1c(-c2ccc(-c3nnc4cncc(-c5ncn(-c6ccccc6)n5)n34)cc2)nc2cc(Cl)ccc21,BPOPEALECXBLBE-UHFFFAOYSA-N,3,1,0.309,93,289,503.957,5.246,7,0.326,0.75,1.0,0.09342231512576246,0.23899150161058186,0.4547066684942773,0.5614162840106915,0.33713419231032826
EOS-3-55940,Fc1ccc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)cc1,ZEWDEVGFAUJKJD-UHFFFAOYSA-N,3,1,0.686,68,900,390.3,3.318,4,0.498,0.78,1.0,0.9807244191624974,0.9583047769172778,0.942747241450209,0.8714961277499829,0.9383181413199917
EOS-3-55941,Fc1cc(OCc2cn(Cc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)nn2)ccc1Cl,DRGYVPXFYFTRDK-UHFFFAOYSA-N,3,1,0.396,34,252,504.74,5.109,5,0.32,0.81,1.0,0.3788379823178672,0.6517202385031869,0.8533942156123638,0.935294016859708,0.7048116133232816
EOS-3-55942,Fc1cc(-c2cncnc2)cc(-c2nnc3cncc(Oc4nncs4)n23)c1,LDFSJHYIVRMCFS-UHFFFAOYSA-N,3,1,0.395,13,706,392.379,3.031,5,0.46,0.67,1.0,0.5200551709958193,0.5189586046192859,0.40751147967925433,0.42070454389692274,0.4668074497978206
EOS-3-55943,Cn1ncc(-c2cnc(CCc3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)c(Cl)c2)n1,OJKXTOXHVRCMHJ-UHFFFAOYSA-N,3,1,0.394,74,886,505.945,3.12,5,0.344,0.66,0.861,0.1460232335001028,0.21833664587759577,0.16650675073675553,0.15869371530395449,0.17239008635460212
EOS-3-55944,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(-c5ncn(-c6c(Cl)cccc6Cl)n5)n34)cc2)[nH]1,ZXNQQLIJCYEIDU-UHFFFAOYSA-N,3,1,0.31,3,289,502.369,5.353,6,0.349,0.59,0.999,0.05160715509560688,0.19004866013295868,0.502989856761017,0.6142313755054486,0.3397192618737578
EOS-3-55945,CCc1cc(CCc2cncc3nnc(-c4ncc(F)cn4)n23)ncc1C(C)=O,FXILEJZFVWMGQY-UHFFFAOYSA-N,3,1,0.322,68,5,391.41,2.666,4,0.466,0.74,0.672,0.26680830649030224,0.1772668083064903,0.057569734768007676,0.04413679665547255,0.13644541155506817
EOS-3-55946,Cn1c(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6-c6ccccn6)o5)n34)cc2)n[nH]c1=O,QSLBEPMOYHGDMN-UHFFFAOYSA-N,3,1,0.272,38,193,504.474,2.178,7,0.367,0.57,1.0,0.1354602152011514,0.12044239599753273,0.044873552189705984,0.05925741895689123,0.09000839558632033
EOS-3-55947,Cn1cc(-c2cncc3nnc(-c4ccc(-c5nccn5C)cc4)n23)c(-c2cc(F)cc(Cl)c2F)n1,GUZGRCSHSJDFOK-UHFFFAOYSA-N,3,1,0.35,3,42,502.916,5.191,6,0.31,0.63,1.0,0.24290658625179906,0.3781954629566171,0.8403896237406621,0.8481940922486464,0.5774214412994312
EOS-3-55948,O=C(Nc1ccc(F)cc1)c1ccc(-c2nnc3cncc(OCc4cn(-c5ccccn5)nn4)n23)cc1,FPSORTMKXRSYFG-UHFFFAOYSA-N,3,1,0.505,77,177,507.489,3.737,6,0.347,0.83,1.0,0.22084675484887945,0.22375094236172982,0.3928363374683024,0.32795044890686037,0.291346120896443
EOS-3-55949,Fc1ccc(-c2nnc3cncc(Cc4cnc(C(F)F)c(Cl)c4)n23)nc1,QZHHLMDADGIHCI-UHFFFAOYSA-N,3,1,0.371,68,244,390.756,3.902,4,0.528,0.7,0.999,0.3582002604345144,0.5009252278802001,0.9096532108834213,0.9173548762936057,0.6715333938729354
EOS-3-55950,c1ccc(CCCOc2ncc(-c3nnc4cncc(Oc5ccc(-c6cncnn6)cn5)n34)cn2)cc1,RSCPZRNDZPXJEP-UHFFFAOYSA-N,3,1,0.427,6,318,504.514,3.632,6,0.267,0.68,1.0,0.502424439723117,0.17727537523130696,0.17624734425330682,0.13621410458501818,0.24804031594818723
EOS-3-55951,Fc1ccc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)n4)n23)nc1,ZJYHFPDYXNECLT-UHFFFAOYSA-N,3,1,0.464,68,255,390.3,3.318,4,0.498,0.8,1.0,0.7078764306764443,0.7555856349804674,0.9523850318689603,0.8896408745116853,0.8263719930093893
EOS-3-55952,Fc1cc(-c2nnc3cncc(-c4ncn(-c5cccc(-c6ncccc6Cl)c5)n4)n23)ccc1Cl,FOGWCWPOPXDTSB-UHFFFAOYSA-N,3,1,0.322,3,118,503.328,5.547,6,0.314,0.7,1.0,0.10328284558974711,0.4341117812350079,0.8231101363854431,0.9027054348571036,0.5658025495168254
EOS-3-55953,c1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6-c6ccns6)cn5)n34)nc2)cn1,LIXJGCQIPNZISW-UHFFFAOYSA-N,3,1,0.236,86,421,503.515,2.804,7,0.341,0.47,0.995,0.014837913782468645,0.032151668836954285,0.061587622507024875,0.08888184497292852,0.04936476252484408
EOS-3-55954,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4cc(F)ccc4F)n23)nc1,NHEMARDPAUKJSA-UHFFFAOYSA-N,3,1,0.351,22,844,390.357,2.927,5,0.471,0.8,1.0,0.26169385237475157,0.4065862517990542,0.5543742718113905,0.6256510862860668,0.46207636556781573
EOS-3-55955,Cc1ncc(-c2nc(-c3cncc4nnc(-c5ccccc5F)n34)ncc2F)o1,QYFKLCZVPGVPIN-UHFFFAOYSA-N,3,1,0.419,22,575,391.341,3.49,5,0.465,0.69,1.0,0.33730553080666165,0.4648670413268453,0.4002552943595367,0.47094099102186276,0.4183422143787266
EOS-3-55956,c1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5nnnn5-c5nccs5)cn4)n23)cc1,PFEZASFKJOLZKI-UHFFFAOYSA-N,3,1,0.254,30,543,503.515,2.804,7,0.341,0.48,0.97,0.023370570899869783,0.032160235761770954,0.019652525529435954,0.040384483585772055,0.028891953944212186
EOS-3-55957,Cc1ccc(-c2ccnc(-c3nnc4cncc(COCc5cccc(-c6ncc(F)cn6)n5)n34)c2)cc1,CONRPPOZIJJEKV-UHFFFAOYSA-N,3,1,0.358,28,414,504.529,4.87,6,0.303,0.7,1.0,0.4140651771640052,0.3396528682064286,0.5099890343362347,0.49195565759714893,0.43891568432595435
EOS-3-55958,Cn1ccnc1-c1c(F)cc(-c2nnc3cncc(OCc4nnc(-c5cnccn5)s4)n23)cc1F,RWTCHFGMEKTJLF-UHFFFAOYSA-N,3,1,0.489,80,540,504.486,3.358,6,0.336,0.53,1.0,0.4304108697142074,0.5466212048523063,0.19253306832979233,0.22894249880063053,0.3496269104242341
EOS-3-55959,O=C(Nc1ccc(F)cc1)c1ccc(-c2nnc3cncc(Cc4ccc(C(=O)NC5CC5)cn4)n23)cc1,IESXRIMEJXSGHK-UHFFFAOYSA-N,3,1,0.47,62,916,507.529,4.061,6,0.343,0.81,1.0,0.1822441916249743,0.22883969570283053,0.3366544445205949,0.3279590158316771,0.26892433692001916
EOS-3-55960,Cn1cc(-c2nnc3cncc(OCc4cc(Cl)sc4F)n23)cc(-c2cc(F)cc(F)c2)c1=O,DFFWSQDXSFKSIH-UHFFFAOYSA-N,3,1,0.456,59,439,503.893,4.868,5,0.342,0.66,1.0,0.5331711328901377,0.5143838667671853,0.9247224316359399,0.9334349941744912,0.7264281063669386
EOS-3-55961,Fc1ncc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1Cl,AXNRFJTWALNRSK-UHFFFAOYSA-N,3,1,0.532,90,555,391.193,3.606,4,0.495,0.71,1.0,0.8794976355287506,0.927429579878007,0.8749314646014666,0.9051812761291207,0.8967599890343363
EOS-3-55962,Fc1cccc(F)c1-c1nccnc1-c1nnc2cncc(-c3ccn4nc(-c5ncccn5)cc4n3)n12,IDADZWLKLZXPKU-UHFFFAOYSA-N,3,1,0.261,39,449,505.452,3.693,7,0.352,0.6,0.635,0.20737954903707764,0.2591494757042012,0.2820745665136043,0.407699952025221,0.2890758858200261
EOS-3-55963,Fc1ncc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cn1,KZYWZUZPHBNUGO-UHFFFAOYSA-N,3,1,0.592,68,127,391.288,2.713,4,0.39,0.79,1.0,0.7960729216640394,0.759723459666918,0.9464395860461928,0.848202659173463,0.8376096566376533
EOS-3-55964,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)nc1OCC(F)(F)F,URQYSCWCVMRXRR-UHFFFAOYSA-N,3,1,0.484,24,786,503.441,4.364,5,0.302,0.63,1.0,0.8018727297649236,0.8496590363922967,0.8436022205469125,0.6839233088890412,0.7947643238982934
EOS-3-55965,COc1c(F)cccc1-c1nnc(-c2cncc3nnc(-c4ccc(C#N)c(Br)c4)n23)n1C,OQKKXLMGTXIMDH-UHFFFAOYSA-N,3,1,0.367,61,311,505.311,4.036,5,0.363,0.63,0.996,0.2830254951682544,0.49634192310328284,0.567618737577959,0.5929340004112124,0.48498003906517717
EOS-3-55966,Cc1nc(-c2ccncc2)c(-c2nnc3cncc(-c4ccc(-c5nccnc5Cl)cc4F)n23)s1,VWNOEGPSDAXLHX-UHFFFAOYSA-N,3,1,0.317,42,693,500.95,5.535,6,0.314,0.55,0.996,0.16278013844150505,0.34469878692344597,0.5067079021314509,0.6079946542389144,0.4055453704338291
EOS-3-55967,Cn1cnc(-c2ncncc2-c2nnc3cncc(OCc4cncs4)n23)c1,GYXWRCYVVRNPEE-UHFFFAOYSA-N,3,1,0.471,7,823,391.42,2.017,5,0.448,0.74,1.0,0.319811870331026,0.16860564731683914,0.06345521211705846,0.05216400520869029,0.15100918374340344
EOS-3-55968,CCCc1ccc(CCOc2cncc3nnc(-c4ccc(CO)cn4)n23)nc1,VBINDTHBPXBUFN-UHFFFAOYSA-N,3,1,0.488,63,457,390.447,2.648,4,0.494,0.78,1.0,0.4465081214447262,0.334666917963128,0.1958998697827428,0.12557398396271674,0.2756622232883284
EOS-3-55969,Clc1cnc(-c2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)s1,BHEAQWQNAUBLPE-UHFFFAOYSA-N,3,1,0.352,82,478,391.847,4.025,5,0.462,0.69,1.0,0.18797546432732506,0.3494705640463299,0.46152594064834485,0.5742666712356932,0.39330966006442325
EOS-3-55970,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1Cl,WUKILQVLYJCSIF-UHFFFAOYSA-N,3,1,0.525,90,555,391.193,3.606,4,0.495,0.7,1.0,0.7201699677883627,0.9063035432801042,0.8593824960592146,0.9027140017819204,0.8471425022274005
EOS-3-55971,Cc1cncc2nnc(-c3cnn(CC(F)F)c3-c3ccc(C(F)F)nc3)n12,JCBLZSXJZHWEQA-UHFFFAOYSA-N,3,1,0.333,68,455,391.332,3.561,4,0.487,0.69,0.961,0.1518487423754369,0.17304331437187306,0.7911640737440888,0.7361815502707149,0.46305942019052837
EOS-3-55972,COc1nc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1-c1cc(F)c(C#N)cn1,AXNSRQOQLLKVDM-UHFFFAOYSA-N,3,1,0.402,49,501,503.885,3.333,5,0.325,0.51,0.674,0.7588496333356178,0.7055462271263108,0.46153450757316156,0.4236772668083065,0.5874019087108492
EOS-3-55973,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)cn4)n23)cc1,CILQGRXAIQJITE-UHFFFAOYSA-N,3,1,0.429,63,334,388.406,2.808,5,0.568,0.84,1.0,0.2668168734151189,0.17728394215612364,0.23835754917414845,0.3217394284147762,0.25104944829004183
EOS-3-55974,COc1cc(-c2nnc3cncc(Oc4cc(F)cc(Cl)c4)n23)ccc1-c1nc2ccccc2n1C,DEUPWXWHTILUNQ-UHFFFAOYSA-N,3,1,0.494,57,480,500.921,5.938,6,0.291,0.67,1.0,0.7733363032006031,0.7239137139332465,0.8266568432595436,0.810319717634158,0.7835566445068878
EOS-3-55975,Fc1cc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)cn4)n23)c(Cl)cc1Br,WQPPIHKUUFSXNB-UHFFFAOYSA-N,3,1,0.532,68,255,503.641,4.734,4,0.296,0.62,1.0,0.7960814885888562,0.9038191350832705,0.9883147145500651,0.9767750668220135,0.9162476012610514
EOS-3-55976,Cc1nnc(-c2cc(-c3cc(-c4nnc5cncc(OCc6scnc6C)n45)ncn3)n(C)n2)s1,JDTRWJWYBGQYFH-UHFFFAOYSA-N,3,1,0.374,31,395,503.577,3.153,6,0.333,0.5,0.085,0.23756939209101502,0.13808169419505176,0.009843396614351312,0.004814611746967308,0.09757727366184635
EOS-3-55977,Cc1ncc(-c2nnc3cncc(OCc4cc(-c5nnnn5C)no4)n23)cn1,DKTCHJFVFBGCTN-UHFFFAOYSA-N,3,1,0.455,92,105,391.355,0.647,5,0.415,0.75,1.0,0.22931944349256392,0.14174833801658557,0.006699335206634227,0.00277568364060037,0.09513570008909603
EOS-3-55978,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3)n12,SQHHHXKFJIVJPL-UHFFFAOYSA-N,3,1,0.595,90,255,390.205,4.211,4,0.522,0.81,1.0,0.9417963127955589,0.9583133438420944,0.9363391816873415,0.9634449318072784,0.9499734425330683
EOS-3-55979,Fc1cncc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1Cl,SDSSVYCDDCRCSK-UHFFFAOYSA-N,3,1,0.696,90,255,390.205,4.211,4,0.522,0.8,1.0,0.9850078815708313,0.9734339661435131,0.9464481529710095,0.9700757316153793,0.9687414330751833
EOS-3-55980,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc(=NC3CCC3)[nH]2)cc1F,DJGOVNOMIAGTBF-UHFFFAOYSA-N,3,1,0.571,91,619,499.525,4.534,6,0.355,0.47,0.994,0.635211774381468,0.43412034815982453,0.4650212459735453,0.620279624426016,0.5386582482352136
EOS-3-55981,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1Cl,MKHAKSYKGDMMTN-UHFFFAOYSA-N,3,1,0.653,23,708,390.205,4.211,4,0.522,0.82,1.0,0.9056010554451374,0.9716777465560962,0.9345144267013913,0.9592043040230279,0.9427493831814131
EOS-3-55982,Cn1c(Cc2cc(Cl)c(F)cc2F)nnc1-c1cncc2nnc(-c3ccc(-c4ncon4)cc3)n12,UPVRFYWDCIQNFD-UHFFFAOYSA-N,3,1,0.327,8,635,505.876,4.159,6,0.321,0.7,0.998,0.3018384620656569,0.3829929408539511,0.4995116852854499,0.6256596532108835,0.45250068535398535
EOS-3-55983,CC(NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)cc1)c1cccc(F)c1,BNTKYYNMYVCLPN-UHFFFAOYSA-N,3,1,0.372,62,423,506.505,3.664,6,0.349,0.71,1.0,0.19621684600095948,0.24915187444314987,0.5205092180111027,0.44259303680350903,0.3521177438146803
EOS-3-55984,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccc(F)c(F)c5F)ccn4)n23)ncc1Cl,WVLSXYWPUKBDIG-UHFFFAOYSA-N,3,1,0.433,88,141,500.843,5.08,5,0.239,0.55,1.0,0.8468662189020629,0.8359605236104448,0.9662634500719621,0.9705554794051128,0.9049114179973956
EOS-3-55985,COc1cnc(-c2cncc3nnc(-c4cc(C(F)F)c(F)cc4F)n23)nc1,RTTKGJYKAMQHOD-UHFFFAOYSA-N,3,1,0.338,68,861,390.3,3.473,4,0.497,0.76,0.982,0.6183006647933658,0.7005774107326435,0.9420447536152423,0.9096446439586047,0.7926418682749641
EOS-3-55986,Cc1cscc1-c1nnc2cncc(OCc3ccc(-c4nnco4)cn3)n12,UCBOEQQHRASLAQ-UHFFFAOYSA-N,3,1,0.5,92,875,391.416,3.185,5,0.45,0.73,1.0,0.2560311150709341,0.20367863751627716,0.1762559111781235,0.13622267150983483,0.1930470838187924
EOS-3-55987,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(-c5ccc(F)cn5)no4)n23)c(Cl)n1,YZNZXNYYHHGWRF-UHFFFAOYSA-N,3,1,0.4,80,843,504.873,3.403,6,0.31,0.62,1.0,0.5559677198272908,0.5512901788773902,0.19941230895757658,0.24898053594681652,0.3889126859022685
EOS-3-55988,CC#Cc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(C)nc4)n23)c1,MYZBYRHZSFBPPK-UHFFFAOYSA-N,3,1,0.5,90,555,391.381,3.723,4,0.496,0.67,1.0,0.8776643136179837,0.832705092180111,0.9307021451579741,0.8681978616955658,0.8773173531629087
EOS-3-55989,Fc1ccc(-c2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)cc1F,UEKDMMINWDXDJS-UHFFFAOYSA-N,3,1,0.377,96,575,391.406,4.86,5,0.441,0.83,1.0,0.3443475430059626,0.42943424028510724,0.9199592214378727,0.9353025837845247,0.6572608971283668
EOS-3-55990,Cc1nc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)ncc1F,XMVAOKHKOWOOAZ-UHFFFAOYSA-N,3,1,0.269,50,856,390.407,3.214,5,0.467,0.8,1.0,0.13546878212596805,0.16861421424165582,0.20653142348022754,0.27277088616270306,0.1958463265026386
EOS-3-55991,CC(F)(OCc1ccc(F)cc1)c1cnc(-c2nnc3cncc(-c4ccc5ncC(CC4)O5)n23)cn1,BZVPOLKPCUQOSK-UHFFFAOYSA-N,3,1,0.311,78,792,501.497,4.568,6,0.382,0.59,0.0,0.39241655815228565,0.35911692138989787,0.6779264615173737,0.5482660544171064,0.49443149886916593
EOS-3-55992,Cn1nc(C(F)(F)F)cc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5csnn5)cc4)n23)cc1,JUIJTFSOOZWHEE-UHFFFAOYSA-N,3,1,0.321,9,894,504.501,5.396,6,0.32,0.78,1.0,0.10579295456103077,0.2903502158865054,0.9199677883626893,0.8500445480090467,0.541538876704818
EOS-3-55993,Cc1cc(-c2nnc3cncc(OCCc4cccc(C#N)c4)n23)ccc1Cl,DOPNYDNAVZAUOJ-UHFFFAOYSA-N,3,1,0.684,48,101,389.846,4.246,4,0.51,0.85,1.0,0.987158179699815,0.9876893290384483,0.9105527379891714,0.9096532108834213,0.948763364402714
EOS-3-55994,Fc1nc(C(F)(F)F)ccc1-c1cccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c1,GVRKXNCQALCYTD-UHFFFAOYSA-N,3,1,0.494,27,343,501.831,5.034,5,0.246,0.61,1.0,0.8122387087930917,0.8946439586046193,0.9740936193543965,0.9460198067301762,0.906749023370571
EOS-3-55995,Cn1cnnc1-c1cc(COc2cncc3nnc(-c4ccc(F)cc4Cl)n23)cc(C(F)(F)F)c1,ZISUVPSMLQYHRP-UHFFFAOYSA-N,3,1,0.529,34,51,503.847,4.977,5,0.315,0.64,1.0,0.862749297512165,0.8992101295319033,0.9857446371050648,0.9750959495579467,0.9307000034267698
EOS-3-55996,Clc1cnc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)nc1,ICGVJPXUMMFQBU-UHFFFAOYSA-N,3,1,0.373,42,856,390.859,4.63,5,0.449,0.83,1.0,0.24562230141868274,0.4114779658693715,0.5773850318689603,0.7062230141868275,0.4851770783359605
EOS-3-55997,Cc1ccc(-c2nnc3cncc(OCc4ccc(C(C)(C)n5cccn5)cc4)n23)cc1Br,JZEIPVMHJFVHRV-UHFFFAOYSA-N,3,1,0.524,89,230,503.404,5.421,5,0.31,0.71,1.0,0.5331796998149544,0.5466297717771229,0.8837553971626345,0.7119542868891783,0.6688797889109726
EOS-3-55998,COc1ncc(-c2ccc(-c3nnc4cncc(-c5cccs5)n34)cn2)s1,UXYMVGYIKIGJHH-UHFFFAOYSA-N,3,1,0.329,82,155,392.469,4.047,5,0.459,0.65,1.0,0.21544959221437873,0.19913816736344322,0.17626447810294016,0.1507864436981701,0.18540967034473305
EOS-3-55999,Cc1cnnc(-c2cncc(-c3nnc4cncc(OC5CCOCC5)n34)c2)n1,OXXPPLGXXYYNFU-UHFFFAOYSA-N,3,1,0.379,92,548,390.407,1.905,5,0.515,0.69,1.0,0.2348536769241313,0.03820848468233843,0.00985196353916798,0.029658693715303955,0.07814320471523542
EOS-3-56000,CCn1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cn4)n23)cn1,SKNSCAMBZQDFDP-UHFFFAOYSA-N,3,1,0.344,78,175,388.435,2.306,5,0.532,0.89,1.0,0.004317730107600576,0.0020389281063669384,0.0004883147145500651,0.0010537317524501404,0.00197467617024193
EOS-3-56001,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5nn(C)nc5C)nc(C)n4)n23)nc1Cl,DHQGHZXIPGEONX-UHFFFAOYSA-N,3,1,0.34,31,105,505.93,1.981,5,0.339,0.58,0.346,0.2856384072373381,0.27459564114865326,0.01556610239188541,0.006579398259200877,0.1455948872592694
EOS-3-56002,Cc1cccnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nc6ccccc6s5)cc4)n23)cc1,WOWLONFOYASDQV-UHFFFAOYSA-N,3,1,0.299,21,695,496.599,7.105,7,0.26,0.79,1.0,0.1434702899047358,0.24916044136796656,0.6995493797546433,0.7062315811116442,0.4496029230347474
EOS-3-56003,Fc1cccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5c(Cl)ncc(F)c5F)n34)c2)c1,ZFCOFZAUYJYFDF-UHFFFAOYSA-N,3,1,0.619,88,222,499.855,5.685,5,0.222,0.61,1.0,0.9590072647522445,0.9667260640120622,0.9766379960249468,0.9852820231649647,0.9719133369885545
EOS-3-56004,Cn1cc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cn2)cn1,LQGNLYQJDZOQPD-UHFFFAOYSA-N,3,1,0.329,50,261,389.81,2.697,5,0.467,0.82,1.0,0.10811459118634775,0.2540949900623672,0.23481084230004798,0.29081282982660545,0.22195831334384208
EOS-3-56005,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5c(F)cccc5F)n34)c2)nn1,TZSZVUQSRWCSGG-UHFFFAOYSA-N,3,1,0.321,22,844,391.345,2.322,5,0.465,0.63,0.999,0.08171132890137756,0.19914673428825988,0.4402285655541087,0.5250496881639367,0.3115340792269207
EOS-3-56006,COc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc1,CWCSDJAGRRQPLB-UHFFFAOYSA-N,3,1,0.329,63,66,388.391,1.544,5,0.547,0.87,1.0,0.30184702899047355,0.11707559454458227,0.013073127270235076,0.012601946405318348,0.11114942430265232
EOS-3-56007,Cc1csc(COc2cncc3nnc(-c4ccc(-c5nnc(-c6c(F)cccc6F)o5)cc4)n23)n1,QTWHTTUBUJKHRR-UHFFFAOYSA-N,3,1,0.529,77,937,503.494,5.13,6,0.308,0.7,1.0,0.6896717154410252,0.7005859776574601,0.4959307107120828,0.4859930779247481,0.593045370433829
EOS-3-56008,Fc1cccc(-c2nnc3cncc(OCc4cnc(-c5ncon5)nc4)n23)c1,ZDVHVKFGKWRKQF-UHFFFAOYSA-N,3,1,0.59,73,863,390.338,2.349,5,0.445,0.77,1.0,0.7138304434240285,0.6321019806730176,0.21669179631279556,0.25209032965526695,0.45367863751627713
EOS-3-56009,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)nc4)n23)nc1,JZOCMJHNCMKJQB-UHFFFAOYSA-N,3,1,0.35,63,66,388.391,0.967,4,0.533,0.86,1.0,0.234862243848948,0.10143238982934685,0.05579638133095744,0.012216434788568296,0.10107686244945514
EOS-3-56010,Cc1ncc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cc4F)n23)cn1,IKRCZUGYEUGCPM-UHFFFAOYSA-N,3,1,0.435,13,374,390.338,2.871,5,0.456,0.74,1.0,0.6745682269892399,0.585001028030978,0.38177643752998425,0.3217479953395929,0.4907734219724487
EOS-3-56011,Cn1cnnc1-c1cc(Cl)c(Oc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4)n23)c(Cl)c1,GZSZZTRFCITFAA-UHFFFAOYSA-N,3,1,0.392,13,765,506.317,3.866,6,0.369,0.64,1.0,0.5024330066479337,0.5744722774312933,0.3555359468165307,0.42071311082173946,0.46328858542937423
EOS-3-56012,Fc1cc(COc2cncc3nnc(-c4cccc(-c5cnc(C(F)F)cn5)c4)n23)cc(F)c1Cl,PMWYGBQDNIYIDQ-UHFFFAOYSA-N,3,1,0.554,59,11,500.843,5.697,5,0.22,0.7,1.0,0.9338290727160579,0.9481615379343431,0.9846909053526146,0.9787283256802138,0.9613524604208074
EOS-3-56013,Cc1nn(C2CCOC2)cc1-c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,AIQNBPJQYGYIDW-UHFFFAOYSA-N,3,1,0.299,52,229,506.57,3.879,7,0.372,0.68,1.0,0.08852203413062847,0.0382170516071551,0.046706874100472896,0.09278836268932904,0.06655858063189637
EOS-3-56014,COc1cc(C(F)F)c(OC)cc1-c1nnc2cncc(-c3ccc(-c4ccccc4C#N)cc3F)n12,MFZCTFJSEBKYPW-UHFFFAOYSA-N,3,1,0.348,62,697,501.468,6.091,5,0.28,0.73,0.917,0.5985282023164965,0.6953687204441094,0.9883232814748818,0.9725944075114796,0.8137036529367419
EOS-3-56015,Cc1ncoc1-c1cc(-c2nnc3cncc(OCc4ccns4)n23)ncn1,JNJCGVMUWBNLRB-UHFFFAOYSA-N,3,1,0.471,7,395,392.404,2.58,5,0.445,0.61,0.941,0.30455417723254063,0.1380902611198684,0.05388595709684052,0.04039305051058872,0.13423086148995958
EOS-3-56016,Cc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cc(C(F)(F)F)c2)s1,RXWMAUNNTYCRRQ-UHFFFAOYSA-N,3,1,0.404,54,483,503.897,5.264,5,0.323,0.65,1.0,0.7733448701254197,0.7379292029333151,0.9321328216023577,0.8908916455349187,0.8335746350490028
EOS-3-56017,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(C(F)(F)F)ccc5Cl)n34)cn2)s1,NCLQVICHRDSLRU-UHFFFAOYSA-N,3,1,0.459,27,483,503.897,5.264,5,0.323,0.68,1.0,0.8716160646974163,0.8840295387567678,0.9352511822356246,0.8966057843876362,0.8968756425193612
EOS-3-56018,COCC(=O)NCc1cc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)ccc1Cl,VIOYOQSOZIIIPC-UHFFFAOYSA-N,3,1,0.442,68,900,507.86,3.095,4,0.387,0.68,1.0,0.6624374614488383,0.6369251593448015,0.8403981906654787,0.7119628538139949,0.7129309163182783
EOS-3-56019,Fc1cc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)ccn1,NSHQYNGMSDMQLC-UHFFFAOYSA-N,3,1,0.558,23,255,391.74,3.836,4,0.39,0.73,1.0,0.9227691727777397,0.9291001302172572,0.9730827222260298,0.977614625454047,0.9506416626687684
EOS-3-56020,Cc1ccc(Cc2ccc(COc3cncc4nnc(-c5ccc(-c6ncc(F)cn6)cn5)n34)nc2)nn1,SEGRPSPVBHXFPR-UHFFFAOYSA-N,3,1,0.414,6,843,506.505,3.446,6,0.317,0.68,1.0,0.5511616750051401,0.49141594133369887,0.2704064149133027,0.21143170447536153,0.3811039339318758
EOS-3-56021,Cn1nccc1-c1cc(-c2cncc3nnc(-c4ccc(-c5cnc(C6(F)CCC6)nc5)nc4)n23)ncn1,OPMJQWARWRWCGD-UHFFFAOYSA-N,3,1,0.277,86,968,505.521,3.85,7,0.343,0.61,0.999,0.185011308340758,0.23351723665273114,0.039005208690288534,0.09879377698581317,0.1390818826673977
EOS-3-56022,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4nnn(-c5nnc(-c6ccccn6)s5)n4)n23)cc1,DCBWVAWNQZOLCM-UHFFFAOYSA-N,3,1,0.276,8,927,505.531,2.748,7,0.342,0.54,0.999,0.03389932149955452,0.03216880268658762,0.01160818312658488,0.014084024398601878,0.02294008292783222
EOS-3-56023,Cn1cc(-c2ccc(-c3cncc4nnc(-c5ccc(F)cc5F)n34)nn2)cn1,BWEFQWQVMZQAEI-UHFFFAOYSA-N,3,1,0.4,22,844,390.357,2.927,5,0.471,0.71,1.0,0.18225275854979098,0.37820402988143376,0.644652525529436,0.6808649167294908,0.47149355767253787
EOS-3-56024,Clc1cccc(-c2cnccc2-c2cncc3nnc(-c4ccc(-c5ccccc5Cl)cc4)n23)c1,HDERGXYFFRBOML-UHFFFAOYSA-N,3,1,0.39,21,107,494.385,7.494,6,0.255,0.79,1.0,0.3272993626207936,0.47816290864231376,0.9673600164484957,0.9855732986087314,0.6895988965800837
EOS-3-56025,Cn1c(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(F)c(F)c6)c5)n34)cc2)nc2ccccc21,PYVNXEHFVXXMDR-UHFFFAOYSA-N,3,1,0.318,3,68,504.504,5.476,7,0.317,0.73,1.0,0.09823692687272977,0.26422109519566855,0.8266654101843602,0.8389246795970119,0.5070120279624426
EOS-3-56026,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4nc(C(F)(F)F)nn4CC(F)(F)F)n23)c1,PVYVOJJMXOAWEN-UHFFFAOYSA-N,3,1,0.259,50,542,505.386,4.396,5,0.334,0.64,0.998,0.27229113837296964,0.24420875882393256,0.7999880063052567,0.6868446302515249,0.500833133438421
EOS-3-56027,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Oc6ccccc6)c5)n34)ncn2)cn1,NEBXLQLYNXIBLL-UHFFFAOYSA-N,3,1,0.424,28,942,503.526,4.156,6,0.299,0.51,0.975,0.46264820779932836,0.1453635802892194,0.28557843876362143,0.21445582893564527,0.2770115139469536
EOS-3-56028,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5csc(Cl)c5)n34)nc2F)cnc1Cl,VSQWZPKXENLQBD-UHFFFAOYSA-N,3,1,0.415,18,773,502.362,5.081,5,0.299,0.54,0.978,0.7442258926735659,0.7768144746761703,0.5441624974299225,0.6142399424302653,0.669860701802481
EOS-3-56029,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(N)=O)nc4)n23)nc1,NZONDULCDSQGEH-UHFFFAOYSA-N,3,1,0.293,63,108,388.391,1.097,4,0.521,0.88,1.0,0.1627887053663217,0.04900280995133987,0.03753169762182167,0.010331711328901377,0.06491373106709616
EOS-3-56030,Fc1cc(-c2nnc3cncc(-c4cn(-c5cncnn5)nc4F)n23)c(-c2ccnnc2)cc1C(F)F,DLBXRXFVKWSPDD-UHFFFAOYSA-N,3,1,0.282,50,151,505.399,3.502,6,0.324,0.57,1.0,0.0139983551504352,0.17305188129668975,0.8286272359673772,0.8127612912069083,0.4571096909053526
EOS-3-56031,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C)cc(C#N)n4)n23)cc1F,LRFPQSNFNHWFHK-UHFFFAOYSA-N,3,1,0.378,63,413,388.366,1.927,4,0.569,0.8,1.0,0.21833664587759577,0.21834521280241245,0.3000479747789733,0.23757795901583167,0.2435769481187033
EOS-3-56032,Fc1ccc(F)c(-c2nnc3cncc(OCc4cncc(C(F)F)n4)n23)c1,KMMJROJMCAFTAA-UHFFFAOYSA-N,3,1,0.506,68,255,390.3,3.376,4,0.486,0.73,1.0,0.7232283599479131,0.8496676033171133,0.9210300870399561,0.9027225687067371,0.8491621547529299
EOS-3-56033,Fc1cnc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(OCc2ccc(Cl)c(Cl)c2)c1,BUUCRVVURHLQOZ-UHFFFAOYSA-N,3,1,0.556,45,533,500.748,6.532,5,0.274,0.78,1.0,0.8301607155095607,0.9380697005003084,0.9764923583030636,0.9897539579192653,0.9336191830580496
EOS-3-56034,NC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(CCO)c4)n23)cc1,GCLHRRGQWLXYBV-UHFFFAOYSA-N,3,1,0.57,48,576,389.415,2.004,4,0.499,0.87,1.0,0.7351620862175313,0.16080974573367143,0.527388458638887,0.3568723870879309,0.44505816941950516
EOS-3-56035,Cn1cc(-c2cncc3nnc(-c4nncnc4-c4cccc(Cl)c4)n23)cn1,NMHBNYLQILSETP-UHFFFAOYSA-N,3,1,0.338,50,356,389.81,2.697,5,0.467,0.77,1.0,0.0455075046261394,0.1112929202933315,0.23481940922486463,0.3893067644438352,0.1952316496470427
EOS-3-56036,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(C5CC5)nc4C)n23)nc1,HVUNDFWYYCELOB-UHFFFAOYSA-N,3,1,0.3,63,108,388.435,2.443,5,0.563,0.82,1.0,0.03010417380577068,0.009663491193201288,0.0073589884175176475,0.0065879651840175454,0.013428654650126791
EOS-3-56037,c1csc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cc2)c1,VAUGRXNDYDVZJW-UHFFFAOYSA-N,3,1,0.566,97,409,391.481,4.555,5,0.44,0.79,1.0,0.6013724213556302,0.537240422178055,0.4752244534301967,0.47393084778287986,0.5219420361866904
EOS-3-56038,Cc1cccc(-n2cnc(-c3ccc(-c4nnc5cncc(Cl)n45)nc3)n2)n1,YNMCVJTXBUUCKC-UHFFFAOYSA-N,3,1,0.425,50,60,389.81,2.791,5,0.467,0.8,0.992,0.022265437598519636,0.13809882804468507,0.13563155369748475,0.18025666506750737,0.11906312110204921
EOS-3-56039,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(C(=O)N5CCOCC5)nc4F)n23)ccc1Cl,LPMGFQJRZJGQRJ-UHFFFAOYSA-N,3,1,0.612,63,751,507.913,2.944,5,0.365,0.75,0.999,0.3557244191624974,0.27460420807346997,0.0717479953395929,0.2254900280995134,0.23189166266876843
EOS-3-56040,Fc1cnccc1COc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,HDSOABRRYHIPQL-UHFFFAOYSA-N,3,1,0.595,90,51,389.312,3.923,4,0.495,0.87,1.0,0.97470187101638,0.9513055993420602,0.994996915907066,0.9882633130011651,0.9773169248166678
EOS-3-56041,Fc1cnc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)nc1,QPVGBTNOIYGGFA-UHFFFAOYSA-N,3,1,0.564,90,281,388.765,3.134,4,0.522,0.79,1.0,0.7988057706805565,0.755594201905284,0.6969621684600096,0.7858954149818381,0.759314389006922
EOS-3-56042,CC1(NC(=O)c2ccc(-c3cncc4nnc(-c5cnc(F)nc5)n34)nc2)CC1,FUCLOMNEDQAKFB-UHFFFAOYSA-N,3,1,0.294,63,108,390.382,2.065,5,0.531,0.66,1.0,0.12703036118155028,0.16465629497635528,0.040410184360222055,0.08177129737509424,0.10346703447330546
EOS-3-56043,Cc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccn6)cc5Cl)n34)c(F)c2)s1,KHKKVOFNKAJWMO-UHFFFAOYSA-N,3,1,0.346,69,484,498.974,6.745,6,0.269,0.72,1.0,0.2402851072578987,0.42944280720992395,0.8519292714687136,0.8771674319786169,0.5997061544787883
EOS-3-56044,Cn1ncc(F)c1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5ccccc5)o4)n23)cn1,RKBCLFKUZJZKRS-UHFFFAOYSA-N,3,1,0.307,76,387,505.477,3.629,7,0.344,0.58,0.994,0.046835377972722914,0.1772925090809403,0.19254163525460902,0.24611918305804947,0.16569717634158043
EOS-3-56045,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5nnnn5-c5ccccc5F)o4)n23)nc1,BPWPQGKBRLFCCM-UHFFFAOYSA-N,3,1,0.265,76,387,505.477,3.629,7,0.344,0.55,0.315,0.03011274073058735,0.1532365841957371,0.2527928174902337,0.3029778630662737,0.18478000137070796
EOS-3-56046,FC(F)c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)c(-c2cnc(C(F)F)s2)n1,LZQAUAORRZKXDT-UHFFFAOYSA-N,3,1,0.527,27,69,501.469,5.202,5,0.27,0.54,0.983,0.737980604482215,0.8020183674868069,0.7734562401480365,0.6690682612569392,0.7456308683434993
EOS-3-56047,Cn1ccc(-c2nc(-c3cncc4nnc(-c5ccc(F)cc5)n34)ncc2F)n1,ODMVCODMIARUGE-UHFFFAOYSA-N,3,1,0.437,22,844,390.357,2.927,5,0.471,0.69,1.0,0.2319580563360976,0.4205589061750394,0.4038191350832705,0.4889486669864985,0.38632119114522656
EOS-3-56048,FCc1nc(Cc2cncc3nnc(-c4cnccn4)n23)cc(C(F)(F)F)n1,AOIHPZYLDOXDFR-UHFFFAOYSA-N,3,1,0.29,68,455,390.304,2.45,4,0.494,0.65,1.0,0.2695925570557193,0.29035878281132205,0.6503409636077033,0.5051487218148174,0.4288602563223905
EOS-3-56049,Cc1nc(CNC(=O)c2ccc(-c3nnc4cncc(OCc5ccc(C(F)F)cc5)n34)cc2)cs1,HAAPRHWJPIXZMY-UHFFFAOYSA-N,3,1,0.529,89,637,506.538,5.003,5,0.318,0.82,1.0,0.5810773764649442,0.39227948735521895,0.7407220204235487,0.5837759577821945,0.5744637105064766
EOS-3-56050,Fc1c(Cl)cccc1Cc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,NXAQIJTXYKDFLK-UHFFFAOYSA-N,3,1,0.407,66,225,389.768,4.507,4,0.515,0.8,0.987,0.47770886162703036,0.7191933383592626,0.9793708450414639,0.9810242615310808,0.7893243266397094
EOS-3-56051,CC#Cc1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)nc1,MYWBEMKSAZBAST-UHFFFAOYSA-N,3,1,0.315,76,776,390.41,3.077,5,0.437,0.71,1.0,0.07962099924611062,0.07886710986224385,0.2927917894592557,0.270038037146186,0.18032948392844905
EOS-3-56052,Cn1ccnc1-c1cncc2nnc(-c3ccc(C(=O)NC4CCCC4)cc3)n12,NICGELGMLLMQRZ-UHFFFAOYSA-N,3,1,0.34,63,437,387.447,2.864,5,0.582,0.92,1.0,0.12703892810636694,0.006862106778150915,0.009063806456034542,0.027851072578987047,0.042703978479884865
EOS-3-56053,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccccc4F)n23)cc1,PFCWIAIUPPGWIY-UHFFFAOYSA-N,3,1,0.484,0,646,387.418,3.413,5,0.57,0.91,1.0,0.33953293125899525,0.3447073538482626,0.4288859570968405,0.535227194846138,0.4120883592625591
EOS-3-56054,Cc1ccc(-c2nnc3cncc(CCc4cccc(-c5ccccc5)n4)n23)cc1,QAQPRKAQGHLUNO-UHFFFAOYSA-N,3,1,0.425,79,886,391.478,4.947,5,0.425,0.81,1.0,0.27733705708998696,0.25915804262901787,0.5340363922966213,0.5710626413542594,0.41039853334247134
EOS-3-56055,Clc1cnc(-c2ncccc2-c2nnc3cncc(-c4nnc(-c5ccnc(Cl)c5)s4)n23)nc1,UVVMHPBPIGBMQI-UHFFFAOYSA-N,3,1,0.279,86,902,505.354,4.531,6,0.318,0.64,0.949,0.09588102254814612,0.2850387225001713,0.1665153176615722,0.3313258172846275,0.21969021999862928
EOS-3-56056,Cc1nc(-c2ccc(Cl)c(-c3cncc4nnc(-c5ccc(-c6ccsc6F)cn5)n34)c2)n(C)n1,QSNYAIWANJNQCD-UHFFFAOYSA-N,3,1,0.294,10,693,502.966,5.478,6,0.317,0.57,1.0,0.2016654101843602,0.3396614351312453,0.5606623946268248,0.6316479336577342,0.4334092934000411
EOS-3-56057,Cc1nnc(-c2cncc(-c3nnc4cncc(Oc5ccnn5C)n34)c2)s1,IQHFQNFNRFKSMT-UHFFFAOYSA-N,3,1,0.337,92,142,391.42,2.539,5,0.46,0.63,1.0,0.2208553217736961,0.11708416146939894,0.046715441025289565,0.028793434308820507,0.10336208964430128
EOS-3-56058,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5sncc5-c5ncsn5)n34)cc2F)n1,FOQSXAMYVKPBRK-UHFFFAOYSA-N,3,1,0.473,80,8,504.536,3.645,6,0.331,0.51,1.0,0.6071036940579809,0.6369337262696183,0.09461311767527929,0.12109348228359948,0.3649360050716195
EOS-3-56059,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccsc6)nn5)n34)cc2)c(Cl)c1,JTRYPNUPKIVYGA-UHFFFAOYSA-N,3,1,0.325,42,635,503.378,5.741,6,0.303,0.68,1.0,0.25358097457336715,0.3494791309711466,0.6087656774724145,0.7592779795764513,0.4927759406483449
EOS-3-56060,Cn1nnc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)n1,UKHJQYNMWHKDPK-UHFFFAOYSA-N,3,1,0.354,50,859,390.798,2.092,5,0.43,0.68,1.0,0.13547734905078473,0.2642296621204852,0.14475532862723597,0.23450243300664794,0.19474119320128846
EOS-3-56061,Cc1cnsc1COc1cncc2nnc(-c3cncc(-c4ncco4)c3)n12,JORBQHDKCZDMSW-UHFFFAOYSA-N,3,1,0.452,2,422,391.416,3.185,5,0.45,0.7,1.0,0.36963710506476594,0.29551607155095605,0.11562778425056541,0.09666061270646288,0.21936039339318755
EOS-3-56062,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4ccc(F)cc4)n23)cc1,FVQNFOJOVKEFTR-UHFFFAOYSA-N,3,1,0.473,0,646,387.418,3.413,5,0.57,0.91,1.0,0.3534199163868138,0.32980090466726064,0.44378383935302584,0.5482746213419231,0.41881982043725585
EOS-3-56063,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-n5ncc(-c6cnc(Cl)nc6)n5)c4)n23)cc1,SVMYKODECWGBOA-UHFFFAOYSA-N,3,1,0.316,62,139,508.933,3.509,6,0.35,0.83,1.0,0.08378452470701117,0.16862278116647247,0.3590312521417312,0.29994517168117335,0.22784593242409706
EOS-3-56064,FC(F)c1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,YHJXDIZWHBYAKL-UHFFFAOYSA-N,3,1,0.634,68,127,388.765,3.751,4,0.518,0.82,1.0,0.8852203413062847,0.9628024124460284,0.8680693578233157,0.8585001028030979,0.8936480535946817
EOS-3-56065,Cn1cnnc1-c1cc(Cl)cc(COc2cncc3nnc(-c4ccc(C(=O)NCCF)cn4)n23)c1,YLKKCUMFFOAKGK-UHFFFAOYSA-N,3,1,0.406,33,760,507.917,2.914,5,0.34,0.7,1.0,0.3718302378178329,0.2541035569871839,0.23482797614968132,0.21144027140017818,0.2680505105887191
EOS-3-56066,COc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1,DWUQUABZTSYQHT-UHFFFAOYSA-N,3,1,0.372,63,437,387.403,2.149,5,0.559,0.91,1.0,0.3045627441573573,0.09516996778836269,0.05580494825577411,0.056233294496607494,0.12794273867452538
EOS-3-56067,Cc1cnc(COc2cncc3nnc(-c4cc(-c5cnc(C)nc5-c5ccc(F)nc5)ccn4)n23)cn1,WYVLGBAQYARUMK-UHFFFAOYSA-N,3,1,0.356,80,355,506.505,3.83,6,0.307,0.7,1.0,0.4849564800219313,0.43850661366595844,0.3293382907271606,0.2520988965800836,0.3762250702487835
EOS-3-56068,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCc4cccnc4)n23)nc1,RAJWXCPTOKZARI-UHFFFAOYSA-N,3,1,0.443,33,108,387.403,2.052,5,0.539,0.94,1.0,0.28564697416215473,0.06807278459324241,0.06346377904187513,0.07841306284696045,0.12389915016105818
EOS-3-56069,Cc1cc(-c2cc(COc3cncc4nnc(-c5ccn(C)n5)n34)no2)n(C)n1,TYBKJLAAUSHCOK-UHFFFAOYSA-N,3,1,0.42,92,105,391.395,1.801,5,0.446,0.63,1.0,0.08614899595641148,0.022068398327736275,0.03491021862792132,0.015266260023302036,0.039598468233842776
EOS-3-56070,Fc1cncc(-c2nnc3cncc(OCc4ccc(-c5ncon5)nc4)n23)c1,FPLIEXAZORKMNI-UHFFFAOYSA-N,3,1,0.494,55,346,390.338,2.349,5,0.445,0.72,1.0,0.6715098348296895,0.48689260503049825,0.31840689466109245,0.309625796724008,0.44660878281132205
EOS-3-56071,Cc1cc(-n2cnc(-c3cncc4nnc(-c5cccnc5-c5c(F)c(F)cc(F)c5F)n34)c2)ccn1,YEJYCZNRJAHLFE-UHFFFAOYSA-N,3,1,0.283,45,872,502.435,4.966,6,0.25,0.56,0.208,0.11351175382084847,0.2183537797272291,0.9115807689671716,0.8966143513124529,0.5350151634569256
EOS-3-56072,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ccc(Cl)nn4)n23)nc1,RCUZPFVJOMKRQV-UHFFFAOYSA-N,3,1,0.286,50,813,389.81,2.697,5,0.467,0.76,1.0,0.10056713042286342,0.1945377287368926,0.2560139812213008,0.3156740456445754,0.21669822150640805
EOS-3-56073,Fc1cc(Cl)ccc1COc1cncc2nnc(-c3cccc(-c4cnc(Cl)c(Cl)c4)c3)n12,PGBUCSKJTSJCSQ-UHFFFAOYSA-N,3,1,0.523,57,962,500.748,6.532,5,0.257,0.78,1.0,0.9214584332807896,0.9291086971420739,0.9836200397505311,0.992546775409499,0.9566834863957234
EOS-3-56074,Cn1ncnc1-c1cc(-c2nnc3cncc(Oc4cncnc4)n23)ccc1F,RAHYDLVHGJNANB-UHFFFAOYSA-N,3,1,0.47,36,610,389.354,2.308,5,0.461,0.8,0.998,0.5148893153313686,0.5850095949557946,0.32203070385854293,0.3125728188609417,0.43362560825166196
EOS-3-56075,Fc1c(Cl)cccc1-c1ncccc1-c1nnc2cncc(-c3nnn(-c4ccc(Cl)nc4)n3)n12,SRJMYTSYSDJXJD-UHFFFAOYSA-N,3,1,0.287,10,952,505.304,4.337,6,0.326,0.56,0.838,0.04551607155095607,0.285047289424988,0.4925553423343157,0.692515934480159,0.3789086594476047
EOS-3-56076,COc1cnc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,DIHCQVRKHHKLJT-UHFFFAOYSA-N,3,1,0.379,63,437,387.403,2.149,5,0.559,0.9,1.0,0.3300407785621273,0.10458501816188061,0.06967479953395929,0.06372078678637516,0.1420053457610856
EOS-3-56077,O=C(NC(CO)c1ccccc1)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncon5)n4)n23)nc1,DMGAHDVEBPOBCL-UHFFFAOYSA-N,3,1,0.343,76,776,505.498,2.762,6,0.33,0.54,0.801,0.24563086834349943,0.10813172503598109,0.3184154615859091,0.2489891028716332,0.2302917894592557
EOS-3-56078,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5nnco5)n4)n23)cc1,CWIPAFVHXMPSPC-UHFFFAOYSA-N,3,1,0.562,4,212,390.338,2.349,5,0.445,0.67,1.0,0.704689534644644,0.6710215201151395,0.2630988280446851,0.29995373860599,0.48469090535261466
EOS-3-56079,Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4Br)n23)c(C)n1,QYLLJYKKRSXCEQ-UHFFFAOYSA-N,3,1,0.457,24,28,506.339,4.741,5,0.318,0.7,1.0,0.7903844835857721,0.7468559385922829,0.48598451099993145,0.4270269344116236,0.6125629668974025
EOS-3-56080,Cc1nc(-c2cc(Cl)cc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c2)sc1F,XNNJWUWZGIRVPX-UHFFFAOYSA-N,3,1,0.511,11,639,501.374,5.686,5,0.279,0.59,1.0,0.7679048728668357,0.7468645055170996,0.6352203413062847,0.7062401480364608,0.7140574669316702
EOS-3-56081,O=c1c(-c2nnc3cncc(Oc4ccc(Cl)cc4F)n23)c(Cl)cnn1-c1ccc(F)cc1F,UYBBOXYJPRWIGL-UHFFFAOYSA-N,3,1,0.437,13,145,505.243,4.854,5,0.347,0.67,1.0,0.364942430265232,0.4869011719553149,0.9105613049139881,0.9615602083476116,0.6809912788705367
EOS-3-56082,CCn1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cn1,NEAUTZXQAQJPIB-UHFFFAOYSA-N,3,1,0.364,63,825,387.447,2.911,5,0.538,0.93,1.0,0.0056113357549174145,0.0025786443698170105,0.001704818038516894,0.005260091837434035,0.0037887225001713384
EOS-3-56083,Fc1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1Cl,SJWJPXPXBRZFKS-UHFFFAOYSA-N,3,1,0.465,66,225,389.768,4.507,4,0.515,0.76,0.998,0.504900280995134,0.7511308340758002,0.9812727023507641,0.9824806387499143,0.8049461140429031
EOS-3-56084,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nn[nH]n5)cc4)n23)cc1,CVBHIFDHQMXQIO-UHFFFAOYSA-N,3,1,0.694,43,499,388.366,2.69,5,0.493,0.88,1.0,0.9481701048591598,0.8359690905352615,0.5836817216092112,0.592942567336029,0.7401908710849153
EOS-3-56085,Cc1ncc(Oc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,PCRDZIGRTCBZHE-UHFFFAOYSA-N,3,1,0.464,63,536,387.403,2.574,5,0.561,0.89,1.0,0.5124220409841683,0.2491690082927832,0.08775101089712836,0.07842162977177712,0.23194092248646425
EOS-3-56086,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5csc(C(F)F)n5)nc4)n23)c1,LPMUQSNCAWXHFS-UHFFFAOYSA-N,3,1,0.609,84,524,502.909,5.661,5,0.286,0.66,1.0,0.8627578644369817,0.9492666712356932,0.8651908710849153,0.8550219313275307,0.8830593345212803
EOS-3-56087,COCCCc1nc(C)n(C)c1Cc1cncc2nnc(-c3ccc(C)nc3)n12,IGPPYVHBGJGMRC-UHFFFAOYSA-N,3,1,0.329,78,5,391.479,2.706,4,0.451,0.65,1.0,0.08379309163182784,0.056567404564457545,0.010365979028168049,0.0074189568912343224,0.039536358028921935
EOS-3-56088,Fc1nnc(CCc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1Cl,DCOTWUDJOPIVNR-UHFFFAOYSA-N,3,1,0.477,90,225,389.221,3.812,4,0.531,0.74,1.0,0.48496504694674797,0.7976406689054897,0.6503495305325201,0.8427369611404291,0.6939230518812967
EOS-3-56089,Cc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4ncnn4C)cc3F)n12,GIAOQDYNXXJQSM-UHFFFAOYSA-N,3,1,0.365,50,844,389.398,2.435,5,0.471,0.76,1.0,0.1546244260160373,0.2335258035775478,0.2134363648824618,0.20241073264341033,0.20099933177986432
EOS-3-56090,O=C(NCc1ccc(F)cc1)c1ccc(-c2nnc3cncc(-c4nnn(-c5ccc(F)cc5)n4)n23)cc1,YQXYSBRTXPSPGX-UHFFFAOYSA-N,3,1,0.446,83,158,509.48,3.642,6,0.364,0.87,1.0,0.20456103077239393,0.2591666095538346,0.5205177849359194,0.5420464670002056,0.38157297306558835
EOS-3-56091,COc1c(Cl)ccc(-c2nnc3cncc(OCc4c(Cl)ccnc4-c4ccsc4)n23)c1F,IEBDPOVCDAYDPW-UHFFFAOYSA-N,3,1,0.456,59,577,502.358,5.948,5,0.286,0.66,1.0,0.9147248303748886,0.8992186964567199,0.8919796449866356,0.8951322733191693,0.9002638612843534
EOS-3-56092,Cc1csc(COc2cncc3nnc(-c4ccc(-c5cnnc6c(F)cccc56)c(Cl)c4)n23)n1,MDPLWSSDASFFQR-UHFFFAOYSA-N,3,1,0.495,1,92,503.95,5.538,6,0.305,0.71,1.0,0.6866561579055582,0.7639555205263519,0.647590980741553,0.7119714207388116,0.7025435199780686
EOS-3-56093,Cc1cc(-c2nnc3cncc(OCc4nn(C)cc4Cl)n23)ccc1Cl,NXBJAIDKAOXTEB-UHFFFAOYSA-N,3,1,0.538,90,555,389.246,3.719,4,0.532,0.8,1.0,0.38805599342060176,0.6135802892193818,0.6238177643752998,0.7062487149612775,0.5829256904941402
EOS-3-56094,CCc1nc(-c2nnc3cncc(OCc4ncc(C)cn4)n23)ccc1-c1ncc(-c2cn(C)nn2)cn1,JNMXPZFTDMAOAS-UHFFFAOYSA-N,3,1,0.343,80,855,506.534,2.679,6,0.315,0.61,0.979,0.18798403125214172,0.10459358508669728,0.02553800287848674,0.012610513330135015,0.08268153313686519
EOS-3-56095,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5nc[nH]n5)c4)n23)nc1,HCSCOPGBUAKAIR-UHFFFAOYSA-N,3,1,0.453,47,196,389.354,2.084,5,0.485,0.73,1.0,0.6156020834761154,0.4869097388801316,0.22042697553286272,0.21446439586046193,0.38435079843739295
EOS-3-56096,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cncs4)n23)ccn1,KAMDBCZBMIZITH-UHFFFAOYSA-N,3,1,0.531,7,624,390.432,2.622,5,0.455,0.7,1.0,0.3557329860873141,0.1730604482215064,0.17943424028510727,0.13623123843465149,0.2111147282571448
EOS-3-56097,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)cn1,ANKIGVGHQLBYBF-UHFFFAOYSA-N,3,1,0.518,55,283,390.338,2.349,5,0.417,0.74,1.0,0.6715184017545062,0.5512987458022068,0.33666301144541155,0.3029864299910904,0.46561664724830376
EOS-3-56098,Fc1ccc(-c2cc(-c3nnc4cncc(Br)n34)ccn2)cc1F,MDSSGFHTKIZVQK-UHFFFAOYSA-N,3,1,0.614,23,861,388.175,3.894,4,0.523,0.86,1.0,0.39028339387293537,0.4914245082585155,0.9314646014666575,0.9489839627167432,0.6905391165787129
EOS-3-56099,O=C(Nc1ccc(-c2cncc3nnc(-c4ccc(CO)cn4)n23)nc1)Nc1ccc(C(F)(F)F)nc1,XXZJFATZVGRYFE-UHFFFAOYSA-N,3,1,0.327,50,776,507.436,3.798,5,0.326,0.79,1.0,0.10812315811116442,0.16081831265848812,0.7828284558974711,0.495099719004866,0.3867174114179974
EOS-3-56100,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Br)c4)n23)c1F,NDNQJXIIRYKNLL-UHFFFAOYSA-N,3,1,0.551,11,595,505.351,5.08,5,0.32,0.63,1.0,0.92541635254609,0.9038277020080872,0.7505140154890001,0.7119799876636282,0.8229345144267014
EOS-3-56101,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5)n34)nc2C2CCCCC2)n1,PVAZJRZBIBEGNW-UHFFFAOYSA-N,3,1,0.392,33,690,502.966,5.22,6,0.308,0.66,0.957,0.45804776917277773,0.4160612706462888,0.010374545952984716,0.07065142896305943,0.23878375368377766
EOS-3-56102,Cc1cc(-c2cncc(-c3nnc4cncc(COc5cccc(-c6cnc(F)c(C)c6)c5)n34)c2)cnn1,JGGOENULJIYUDB-UHFFFAOYSA-N,3,1,0.351,41,78,504.529,5.04,6,0.291,0.62,1.0,0.43041943663902404,0.4914330751833322,0.7380748406551985,0.6519087108491536,0.5779590158316771
EOS-3-56103,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(-c5cc(C(F)F)ccc5Cl)nc4)n23)cc1,NFHGFVSMVQNZTH-UHFFFAOYSA-N,3,1,0.538,89,230,507.888,4.517,5,0.344,0.78,0.999,0.9254249194709068,0.6662583099170721,0.8667414844767323,0.8039287917209239,0.8155883763964088
EOS-3-56104,COc1cc(C(=O)NC2CC2)ccc1-c1nnc2cncc(-c3cnccn3)n12,SQYWCAWVDJDVDF-UHFFFAOYSA-N,3,1,0.353,63,437,387.403,2.149,5,0.559,0.9,1.0,0.15987595092865464,0.04901137687615653,0.08270509218011103,0.08007504626139401,0.09291686656157905
EOS-3-56105,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5cncs5)n34)c2)nn1,NUWCLRFZKVDEJL-UHFFFAOYSA-N,3,1,0.5,16,256,390.432,2.622,5,0.455,0.68,1.0,0.29933692001918993,0.2085360838873278,0.1634312247275718,0.14095161400863546,0.20306396066068125
EOS-3-56106,CCn1cnnc1-c1cc(Oc2cncc3nnc(-c4cccs4)n23)ncn1,VZRAXUUYRUVZMF-UHFFFAOYSA-N,3,1,0.355,31,105,391.42,2.714,5,0.45,0.58,1.0,0.2940768281817559,0.17730107600575698,0.025546569803303405,0.021657185936536223,0.12964541498183813
EOS-3-56107,COc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)nc4)n23)cn1,QAWUTOJDFYUGCZ-UHFFFAOYSA-N,3,1,0.322,63,66,387.403,2.149,5,0.559,0.89,1.0,0.2535895414981838,0.0982283599479131,0.05188986361455692,0.04961962853813995,0.11333184839969845
EOS-3-56108,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4nnn(-c5ccc(Cl)nc5)n4)n23)c(Cl)c1,GHEHORXJEAWVHN-UHFFFAOYSA-N,3,1,0.281,39,527,506.292,3.732,6,0.329,0.56,0.971,0.043999725858405864,0.2491775752175999,0.2964155986567062,0.5420550339250223,0.2829119834144336
EOS-3-56109,CCn1cncc1-c1ccc(-c2nnc3cncc(-c4ccsc4)n23)c(F)c1,QVHJQQPFUIDSRD-UHFFFAOYSA-N,3,1,0.329,82,478,390.447,4.542,5,0.452,0.77,1.0,0.2722997052977863,0.3298094715920773,0.6617863751627716,0.6662154752929889,0.48252775683640603
EOS-3-56110,COc1ncc(-c2cn(C)nc2C)nc1COc1cncc2nnc(-c3ccc(-c4ccccc4)nc3)n12,ILNYLEDEMXVHSN-UHFFFAOYSA-N,3,1,0.41,28,363,505.542,3.94,6,0.318,0.56,1.0,0.25359810842300046,0.1308597765746008,0.14769378383935303,0.09880234391062984,0.15773850318689603
EOS-3-56111,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3ncccn3)n12,ZVIMYVMICPXVAO-UHFFFAOYSA-N,3,1,0.443,47,164,389.354,2.084,5,0.485,0.72,1.0,0.6956942635871428,0.6517288054280036,0.2528013844150504,0.24612774998286616,0.46158805085326576
EOS-3-56112,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-n5nnc6ccccc65)c(F)c4)n23)cc1,LQPFUBLEPMXRCM-UHFFFAOYSA-N,3,1,0.583,79,824,508.517,3.645,6,0.35,0.79,1.0,0.5613991501610582,0.3053766020149407,0.46866218902062917,0.39230518812966897,0.43193578233157426
EOS-3-56113,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc(C(O)CO)n[nH]4)n23)cc1,JGZQZQNIMKOQNA-UHFFFAOYSA-N,3,1,0.317,63,437,394.395,0.352,4,0.365,0.53,0.855,0.19079398259200878,0.13086834349941745,0.0653056678774587,0.022488177643752997,0.10236404290315948
EOS-3-56114,Cc1ncc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nc4)n23)cn1,ZUEDZEVCVGHXKN-UHFFFAOYSA-N,3,1,0.468,68,900,388.313,2.278,4,0.524,0.76,1.0,0.7560825166198342,0.6614608320197382,0.6385014735110685,0.3733208827359331,0.6073414262216434
EOS-3-56115,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnc(C(F)(F)F)s5)nc4)n23)c1F,WAHOWLSOEIZXON-UHFFFAOYSA-N,3,1,0.548,65,265,506.42,4.018,5,0.318,0.64,0.937,0.8776728805428003,0.8619097388801316,0.7999965732300733,0.695300185045576,0.8087198444246453
EOS-3-56116,Cc1ccc(Oc2cncc3nnc(-c4csc(-c5nc(C)n[nH]5)c4)n23)nn1,LOFQYKBOJZTKLP-UHFFFAOYSA-N,3,1,0.319,92,185,391.42,2.837,5,0.497,0.56,1.0,0.3420002056061956,0.2183623466520458,0.05189843053937359,0.030549653896237407,0.1607026591734631
EOS-3-56117,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)nc1-c1sccc1Cl,ORHCXSOQMGUSTJ-UHFFFAOYSA-N,3,1,0.43,56,425,505.926,4.466,6,0.352,0.58,1.0,0.8096429305736413,0.7597320265917347,0.3703909944486327,0.430033925022274,0.5924499691590708
EOS-3-56118,Cc1nccnc1-c1nnc2cncc(OCc3c(F)ncc(F)c3Cl)n12,CFOYSCKQEMPYBT-UHFFFAOYSA-N,3,1,0.386,68,244,389.753,2.795,4,0.495,0.65,0.991,0.6294033993557673,0.589952710575012,0.5099976012610513,0.5710712082790761,0.5751062298677266
EOS-3-56119,Fc1cc(Cl)ccc1-n1cnc(-c2cncc3nnc(-c4cccnc4-c4cccc(Cl)c4)n23)c1,KARYVWICGYSGCV-UHFFFAOYSA-N,3,1,0.345,3,192,502.34,6.152,6,0.289,0.66,0.979,0.11053046398464807,0.33467548488794463,0.9068175587691042,0.9516482763347269,0.575917945994106
EOS-3-56120,COc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)nc4)n23)nc1,YMKKTDBIJOTOBU-UHFFFAOYSA-N,3,1,0.329,63,66,387.403,2.149,5,0.559,0.86,0.999,0.309702899047358,0.1343379480501679,0.048257487492289766,0.05082756493729011,0.13578147488177644
EOS-3-56121,O=C(Nc1cccc(F)c1)c1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)cc1,IKBSTYNAOXVEMU-UHFFFAOYSA-N,3,1,0.591,91,660,506.9,4.992,5,0.312,0.78,1.0,0.8301692824343774,0.565117195531492,0.8608388732780481,0.8287471729148105,0.771218131039682
EOS-3-56122,CCn1cc(-c2cncc3nnc(-c4ccc(-c5ncn(C)n5)cc4F)n23)cn1,XWXPBPRTUPKGMP-UHFFFAOYSA-N,3,1,0.346,50,844,389.398,2.609,5,0.469,0.75,1.0,0.2016739771091769,0.2850558563498047,0.22375094236172982,0.21144883832499486,0.23048240353642657
EOS-3-56123,CCn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)c(OC)n2)cc1=O,NXSIPFDGKGRMCC-UHFFFAOYSA-N,3,1,0.437,31,456,505.926,2.503,5,0.289,0.58,0.999,0.37429751216503326,0.32981803851689395,0.06968336645877596,0.048197519018573096,0.20549910903981905
EOS-3-56124,Fc1cc(Cl)cc(-c2cnc(Cl)c(-c3nnc4cncc(OCc5cncc(F)c5F)n34)c2)c1,BXYRYLYRJVFIQK-UHFFFAOYSA-N,3,1,0.451,59,89,503.271,5.551,5,0.293,0.59,1.0,0.8200517442258927,0.867598176958399,0.9779059008978137,0.9861387156466315,0.9129236344321843
EOS-3-56125,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nc(-c5cncc6ccccc56)sc4C)n23)cc1,BIJKUFJGSLUFJE-UHFFFAOYSA-N,3,1,0.434,1,347,507.579,4.71,6,0.348,0.78,0.999,0.4487440888218765,0.3688403810568158,0.2454166952230827,0.1884466451922418,0.3128619525735042
EOS-3-56126,Fc1cc(Oc2ccc(Cl)cc2-c2nnc3cncc(OCCc4cscn4)n23)ccc1Cl,UFYDENCKCPGMBF-UHFFFAOYSA-N,3,1,0.58,88,275,502.358,6.108,5,0.268,0.71,1.0,0.8923394558289356,0.7976492358303063,0.8850404358851347,0.9140651771640053,0.8722735761770954
EOS-3-56127,CCc1nn(C2CC2)cc1-c1cncc2nnc(-c3ccc(C(=O)NC)cn3)n12,YKFQOHNBWJHEDV-UHFFFAOYSA-N,3,1,0.296,63,108,388.435,2.307,5,0.563,0.78,0.985,0.011659584675484887,0.013809882804468508,0.006348091289150847,0.005448564183400726,0.009316530738126242
EOS-3-56128,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nc(Cl)sc5Cl)n34)cc2F)n1C,JVUCMWUAQGRQMR-UHFFFAOYSA-N,3,1,0.511,37,563,504.378,5.024,5,0.323,0.55,1.0,0.707884997601261,0.7853985333424713,0.3855373175245014,0.4767750668220136,0.5888989788225618
EOS-3-56129,Cn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(F)cc4F)n23)nc1,AVODYQHCCNJROK-UHFFFAOYSA-N,3,1,0.391,22,575,389.369,3.532,5,0.472,0.74,1.0,0.27230827222260295,0.43412891508464124,0.712271263107395,0.7412960043862655,0.5400011137002261
EOS-3-56130,Fc1ccc(-c2nnc3cncc(CCc4cnc(C(F)(F)F)nn4)n23)cn1,CHPONPFUMRUWOU-UHFFFAOYSA-N,3,1,0.413,68,455,390.304,2.314,4,0.39,0.73,1.0,0.35342848331163046,0.5055513672812008,0.5676273045027757,0.4919642245219656,0.4796428449043931
EOS-3-56131,CONC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(-c5ccc(F)nc5)n4)n23)cc1,PYTQCOUAUACOCH-UHFFFAOYSA-N,3,1,0.448,89,731,506.885,3.306,5,0.261,0.74,1.0,0.6043023096429305,0.4473819477760263,0.5067164690562675,0.4077085189500377,0.49152731135631555
EOS-3-56132,Cc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)nn1,NXVJNHFUHAODSE-UHFFFAOYSA-N,3,1,0.354,63,505,387.407,1.163,5,0.541,0.8,1.0,0.0314577479268042,0.013818449729285176,0.005328627235967377,0.005457131108217394,0.014015489000068538
EOS-3-56133,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ccns5)n34)c2)cn1,UTOJZZKBOZWBHE-UHFFFAOYSA-N,3,1,0.47,2,36,390.432,2.622,5,0.455,0.68,1.0,0.3069786169556576,0.20368720444109384,0.2237595092865465,0.18026523199232403,0.2286726406689055
EOS-3-56134,Cn1nnnc1-c1ccc(F)c(-c2cncc3nnc(-c4scnc4-c4ccc5cnncc5c4)n23)c1,IPVLSWBWTLIDMQ-UHFFFAOYSA-N,3,1,0.286,25,219,507.518,3.855,7,0.349,0.64,1.0,0.22657802755123022,0.3447159207730793,0.26310739496950175,0.3796518401754506,0.30351329586731546
EOS-3-56135,Cn1cnnc1-c1csc(-c2ccc(-c3nnc4cncc(C(F)(F)c5cnccn5)n34)c(F)c2)c1,LECJXBCDRYSSOM-UHFFFAOYSA-N,3,1,0.311,85,314,505.489,4.385,6,0.343,0.54,1.0,0.18501987526557467,0.4065948187238709,0.8451699677883627,0.7618994585703516,0.54967103008704
EOS-3-56136,CCn1cnc(-c2nnc3cncc(-c4cn(-c5ccnc(F)c5)nn4)n23)c1C,CVRYKGIWGPWMPG-UHFFFAOYSA-N,3,1,0.248,50,105,390.386,2.098,5,0.433,0.65,1.0,0.0002827085189500377,0.026643136179836886,0.05190699746419025,0.06217874031937496,0.03525289562058803
EOS-3-56137,Fc1cc(F)cc(-c2ncc(-c3nnc4cncc(-c5cccnn5)n34)cn2)c1,CGWISPCDVYDFIZ-UHFFFAOYSA-N,3,1,0.42,22,844,388.341,2.984,5,0.469,0.83,1.0,0.2617024192995682,0.36884894798163254,0.5836902885340278,0.6634140908779385,0.4694139366732918
EOS-3-56138,Fc1cccc(CCOc2cncc3nnc(-c4cnc(Cl)nc4)n23)c1F,ZCMVBDNBCNSLKI-UHFFFAOYSA-N,3,1,0.623,90,811,388.765,3.134,4,0.489,0.74,1.0,0.8350695634295113,0.9409653210883421,0.8266739771091769,0.8465235419093962,0.8623081008841065
EOS-3-56139,CCNC(=O)c1ccc(-c2nnc3cncc(CCc4cnc(C)nc4)n23)cc1,RYZOUALZRHILCY-UHFFFAOYSA-N,3,1,0.418,63,334,387.447,2.425,4,0.546,0.82,1.0,0.11053903090946474,0.029273182098553903,0.08031492015626071,0.03375368377767117,0.06347020423548763
EOS-3-56140,Cc1nc(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NCCF)cc5)n34)c(F)c2)n(C)c1Cl,YSGHWGAKRQGWHH-UHFFFAOYSA-N,3,1,0.349,62,124,507.932,4.659,5,0.361,0.75,1.0,0.27462990884791993,0.33967000205606196,0.5476492358303063,0.5285278596395038,0.422619251593448
EOS-3-56141,Fc1ccnc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)c1,QKTOBVANTLFZSF-UHFFFAOYSA-N,3,1,0.449,90,473,388.765,3.134,4,0.522,0.68,1.0,0.735170653142348,0.6856795284764581,0.7331488588856144,0.8016585566445069,0.7389143992872318
EOS-3-56142,N#CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)cn4)n23)cc1,ZLTRJHYCAARDHD-UHFFFAOYSA-N,3,1,0.436,66,646,387.378,2.17,4,0.526,0.81,1.0,0.27734562401480367,0.21837091357686245,0.49593927763689943,0.4236858337331232,0.35383541224042214
EOS-3-56143,c1ccc(-c2cccc(-c3ncsc3-c3nnc4cncc(-c5ccc(-c6cnco6)cc5)n34)c2)cc1,TUHVQKSMECXFSV-UHFFFAOYSA-N,3,1,0.319,21,810,498.571,6.904,7,0.257,0.67,1.0,0.1327959015831677,0.13810739496950175,0.6941436501953259,0.7515506133918168,0.429149390034953
EOS-3-56144,COc1nnccc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,VVNAMDKQJKEGPL-UHFFFAOYSA-N,3,1,0.361,63,437,387.403,2.149,5,0.559,0.82,1.0,0.29408539510657256,0.07187649921184291,0.06531423480227537,0.06537420327599205,0.12416258309917072
EOS-3-56145,Clc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(Cl)c4)n23)cc1,PQHPWIGHDLFSRT-UHFFFAOYSA-N,3,1,0.5,23,646,389.673,5.342,4,0.475,0.88,1.0,0.5644232746213419,0.8395586320334453,0.9779144678226304,0.995305325200466,0.8443004249194708
EOS-3-56146,Cn1nccc1-c1ccc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)cc1,FXWGXDUHTOZUSU-UHFFFAOYSA-N,3,1,0.352,50,856,388.822,3.302,5,0.471,0.79,1.0,0.18226132547460763,0.25411212391200055,0.3782297306558838,0.4426016037283257,0.31430119594270445
EOS-3-56147,Cc1nsc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)nc4)n23)n1,AEHBLULGLOROAU-UHFFFAOYSA-N,3,1,0.342,50,155,390.407,3.214,5,0.437,0.67,1.0,0.17356589678568982,0.27979576451237065,0.13890411897745186,0.19390377630045919,0.19654238914399286
EOS-3-56148,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(F)cn5)ncn4)n23)nc1,URLWZPKYTUIEKK-UHFFFAOYSA-N,3,1,0.364,33,53,508.424,2.146,5,0.331,0.65,0.819,0.4849736138715647,0.3688575149064492,0.37823829758070043,0.26728805428003566,0.3748393701596875
EOS-3-56149,COc1ncc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cn1,GAPNYXDLJHWNQA-UHFFFAOYSA-N,3,1,0.375,68,455,388.313,1.99,4,0.523,0.7,1.0,0.37884654924268385,0.344724487697896,0.6058957576588307,0.37646494414365017,0.42648293468576526
EOS-3-56150,Fc1ccc(-c2ccc(Cl)nc2)nc1-c1nnc2cncc(-c3cc(Cl)nc(-c4nnco4)c3)n12,KWEZTZPKGXRSMA-UHFFFAOYSA-N,3,1,0.281,10,572,506.288,4.806,6,0.31,0.66,1.0,0.22658659447604687,0.39228805428003566,0.6027602631759303,0.7199300938934959,0.4853912514563772
EOS-3-56151,Cc1ncc(-c2nnc3cncc(OCc4cc(F)c(Cl)cc4F)n23)cn1,OERAYVHEDWAMAJ-UHFFFAOYSA-N,3,1,0.545,90,811,388.765,3.4,4,0.499,0.74,1.0,0.840106915221712,0.8359776574600781,0.8813737920636009,0.8743660475635666,0.8579561030772394
EOS-3-56152,Fc1ccnc(COc2cncc3nnc(-c4ccc(F)c(C(F)F)c4)n23)c1,KUNJNAZCOWAZKD-UHFFFAOYSA-N,3,1,0.603,90,255,389.312,3.981,4,0.483,0.76,1.0,0.8253632376122267,0.9143992872318553,0.9804417106435473,0.9734082653690631,0.9234031252141731
EOS-3-56153,FC(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncn(Cc6cccc(Cl)c6)n5)o4)n23)cc1,VPWBWIXWBDWSED-UHFFFAOYSA-N,3,1,0.321,3,750,503.9,5.949,6,0.279,0.75,1.0,0.20456959769721061,0.46487560825166196,0.8826502638612843,0.8991501610581866,0.6128114077170859
EOS-3-56154,Cn1cnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C#Cc5ccc(F)cn5)nc4)n23)c(Cl)c1,SZWNXAYKEUOVNL-UHFFFAOYSA-N,3,1,0.357,98,314,507.92,4.236,6,0.33,0.71,1.0,0.2830340620930711,0.42505654170379,0.759337948050168,0.7669282434377356,0.5585891988211911
EOS-3-56155,Cn1cnnc1-c1ccc(-c2nnc3cncc(-c4ccccc4Cl)n23)nc1,LCFNPSBJXMQOSL-UHFFFAOYSA-N,3,1,0.365,22,844,388.822,3.302,5,0.471,0.76,1.0,0.1354859159756014,0.24918614214241655,0.34799705297786304,0.4951082859296827,0.3069443492563909
EOS-3-56156,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6ccnc(Cl)c6)cn5)n34)cc2)cc1F,HNDAVUQFAJPOJK-UHFFFAOYSA-N,3,1,0.365,41,30,504.916,5.641,6,0.286,0.7,1.0,0.36964567198958265,0.6271417312041669,0.9255962579672401,0.9378726612295251,0.7150640805976287
EOS-3-56157,Cc1cnc(-c2cc(F)c(Oc3cncc4nnc(-c5ccc(-c6nc[nH]n6)nc5)n34)cc2Cl)s1,FNZXPAPNESZJLY-UHFFFAOYSA-N,3,1,0.382,13,110,505.926,4.988,6,0.348,0.64,1.0,0.632221917620451,0.7100695634295113,0.4995202522102666,0.5017048180385169,0.5858791378246865
EOS-3-56158,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCCc4cnc(C#N)c(Cl)n4)n23)cc1Cl,UUESGGQSDFSTSL-UHFFFAOYSA-N,3,1,0.449,20,610,507.345,3.567,5,0.303,0.67,0.99,0.662446028373655,0.7511394010006168,0.2028390788842437,0.31870673702967584,0.48378281132204787
EOS-3-56159,Cn1ncc(COc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)n1,PRXGTKNOPGKWCK-UHFFFAOYSA-N,3,1,0.5,36,506,390.432,2.622,5,0.455,0.64,1.0,0.23196662326091427,0.17306901514632309,0.12978034404770064,0.11878897950791584,0.16340124049071347
EOS-3-56160,Fc1ccc(-c2nnc3cncc(-c4ncc(F)c(-c5ccncn5)n4)n23)cn1,BRIDOWPTOOLRRY-UHFFFAOYSA-N,3,1,0.325,50,261,389.329,2.379,5,0.433,0.69,0.695,0.36266362826399834,0.40660338564868753,0.32934685765197724,0.40146323075868684,0.3750192755808375
EOS-3-56161,Fc1cnc(-c2nccnc2-c2nnc3cncc(-c4ccc(F)nc4)n23)nc1,OQESZORVDIPENG-UHFFFAOYSA-N,3,1,0.303,86,206,389.329,2.378,5,0.433,0.72,0.987,0.25360667534781717,0.3396785689808786,0.2383661160989651,0.3440219998629292,0.2939183400726475
EOS-3-56162,Cc1cc(-c2nnc3cncc(-c4ccc(-c5nnn[nH]5)cc4)n23)ccc1Cl,PDWLZHHNVWHOMG-UHFFFAOYSA-N,3,1,0.329,61,558,388.822,3.6,5,0.507,0.73,1.0,0.32210780618189294,0.4294513741347406,0.6641936810362552,0.7385631553697485,0.5385790041806593
EOS-3-56163,Fc1ccc(-c2nnc3cncc(OCc4ncn(-c5ccncn5)n4)n23)cc1,QVVMIJPFCBLRCC-UHFFFAOYSA-N,3,1,0.542,36,975,389.354,1.88,5,0.448,0.69,1.0,0.41868274964018914,0.5189671715441025,0.1891062984031252,0.22549859502433006,0.33806370365293675
EOS-3-56164,COc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,IUDXUPFNHQHQCI-UHFFFAOYSA-N,3,1,0.365,0,437,386.415,2.754,5,0.567,0.93,1.0,0.2617109862243849,0.07887567678706052,0.17627304502775684,0.1532108834212871,0.16751764786512233
EOS-3-56165,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cncnc5F)n34)nc2)nc1,QQIKYGCLRYEYGX-UHFFFAOYSA-N,3,1,0.288,50,489,389.329,2.378,5,0.433,0.7,1.0,0.3534370502364471,0.38300150777876774,0.4002638612843534,0.43931190459872527,0.3940035809745734
EOS-3-56166,COc1cc(-c2nncn2C)ccc1-c1nnc2cncc(OCc3ccnc(Oc4ccccc4)c3)n12,YIQAIBYPAFHPEV-UHFFFAOYSA-N,3,1,0.443,77,881,506.526,4.362,6,0.297,0.68,1.0,0.34200877253101225,0.09187170173394558,0.44739908162565967,0.3029949969159071,0.29606863820163115
EOS-3-56167,Cc1cc(COc2cncc3nnc(-c4cnnc(-c5nnco5)c4)n23)n(C)n1,HWWTTYPISSMFMJ-UHFFFAOYSA-N,3,1,0.404,53,226,390.367,1.252,5,0.431,0.62,0.984,0.19337262696182578,0.1204509629223494,0.023464807072853127,0.013201631142485093,0.08762250702487835
EOS-3-56168,O=c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Br)c5)n34)cc2F)n[nH]1,CAEDTKQZOCOYJD-UHFFFAOYSA-N,3,1,0.522,35,429,508.311,3.46,5,0.374,0.67,1.0,0.784815982454938,0.6039253649509972,0.6446610924542526,0.6404718662189021,0.6684685765197725
EOS-3-56169,Cc1cscc1-c1nnc2cncc(-c3cc(-c4ccnc(F)c4)ncn3)n12,ICEZTBJXSGAUAO-UHFFFAOYSA-N,3,1,0.304,50,155,389.419,3.819,5,0.436,0.77,0.998,0.13549448290041807,0.23900006853539854,0.49594784456171614,0.49511685285449936,0.341389812213008
EOS-3-56170,COc1ncc(Cl)cc1-c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cnc1OC,PZHJUYMQYAZENN-UHFFFAOYSA-N,3,1,0.6,84,657,506.925,4.68,5,0.299,0.71,1.0,0.8327479268041944,0.8061133575491741,0.6969707353848262,0.5898584744020287,0.7314226235350559
EOS-3-56171,Cc1c(F)cnc(COc2cncc3nnc(-c4ccc(F)c(F)c4)n23)c1F,BEKDCZQXZWTMAL-UHFFFAOYSA-N,3,1,0.59,90,255,389.312,3.63,4,0.499,0.69,1.0,0.9266842574189569,0.9274381468028237,0.9511342608457268,0.9444948941128093,0.9374378897950791
EOS-3-56172,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cn(-c5cc(F)cc(Cl)c5F)nn4)n23)cc1,VTJFMABKAGBUQX-UHFFFAOYSA-N,3,1,0.283,10,356,506.839,3.962,6,0.33,0.55,0.856,0.04400829278322253,0.21337639640874512,0.6995579466794599,0.8389332465218285,0.44896897059831403
EOS-3-56173,Clc1ccc(-c2nnc3cncc(Cc4cc(Cl)cc(Cl)c4)n23)cc1,ODHHMNPZBYDRSQ-UHFFFAOYSA-N,3,1,0.484,23,370,389.673,5.342,4,0.475,0.85,1.0,0.507530326913851,0.7639640874511685,0.972354533616613,0.9941573572750325,0.8095015763141663
EOS-3-56174,CCOc1ccc(-c2nnc3cncc(OCc4ncc(Cl)s4)n23)cn1,BYHKBVMKXRULHB-UHFFFAOYSA-N,3,1,0.519,90,555,388.84,3.274,4,0.5,0.74,1.0,0.3766277157151669,0.5744808443561099,0.1762816119525735,0.15079501062298678,0.3195462956617092
EOS-3-56175,Cn1cc(-c2ccnc(-c3nnc4cncc(-c5ccc(Cl)nc5)n34)c2)cn1,NVURAYZQVXWVPR-UHFFFAOYSA-N,3,1,0.282,50,478,388.822,3.302,5,0.441,0.78,1.0,0.05484545267630731,0.18582516619834144,0.547657802755123,0.5837845247070111,0.3430282365841957
EOS-3-56176,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)o1,CAWHDVVQPKAWEZ-UHFFFAOYSA-N,3,1,0.582,97,655,390.428,3.79,5,0.451,0.66,1.0,0.45133986704132684,0.3541395380714139,0.30379172092385714,0.2461363169076828,0.3388518607360702
EOS-3-56177,Cn1nc(-c2nnc3cncc(OCc4ccns4)n23)cc1-c1cccnn1,XOAJZXRGTFPJDL-UHFFFAOYSA-N,3,1,0.42,53,694,391.42,2.017,5,0.448,0.54,1.0,0.20168254403399355,0.10144095675416352,0.03625522582413817,0.03477314783085464,0.09353796861078748
EOS-3-56178,Cc1nc(-c2nnc3cncc(OCCc4cc(F)nc(Cl)n4)n23)ccc1-c1cccc(C2CC2)n1,XZDKIHHBHQIZKK-UHFFFAOYSA-N,3,1,0.39,31,690,502.941,4.638,6,0.234,0.53,0.686,0.7014341032143102,0.7511479679254335,0.17944280720992392,0.27004660407100267,0.4755178706051676
EOS-3-56179,Fc1ccc(-c2nnc3cncc(Cc4cccc(-c5cc[nH]n5)n4)n23)c(F)c1,VRUBJQFGTMGANL-UHFFFAOYSA-N,3,1,0.368,14,358,389.369,3.445,5,0.509,0.65,0.999,0.34201733945582896,0.482232197930231,0.6860050716194914,0.7385717222945651,0.5622065828250291
EOS-3-56180,COc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)c(C)c5)n34)ncn2)cn1,JEEMRYYPTWXWCO-UHFFFAOYSA-N,3,1,0.389,89,463,509.53,2.827,6,0.332,0.81,1.0,0.27463847577273665,0.09188026865876225,0.08032348708107738,0.04552463847577274,0.12309171749708726
EOS-3-56181,CCCc1nc(-c2ccc(C(=O)NC3(C)COC3)cn2)cc(-c2nnc3cncc(Br)n23)n1,GSLQURBWZJLTGQ-UHFFFAOYSA-N,3,1,0.366,63,108,509.368,2.877,5,0.422,0.65,0.962,0.16562435748063875,0.07541463916112673,0.014332465218285245,0.012619080254951683,0.0669976355287506
EOS-3-56182,O=C(NCc1ccc(F)c(F)c1)c1ccc(-c2nnc3cncc(-c4cn(-c5ccncc5)nn4)n23)cc1,JQWYWZTXKPBWKF-UHFFFAOYSA-N,3,1,0.448,62,783,509.48,3.642,6,0.364,0.72,1.0,0.12135905695291618,0.21837948050167913,0.6779350284421904,0.622883969570283,0.4101393838667672
EOS-3-56183,Cc1cc(COc2cncc3nnc(-c4cc(F)c(F)cc4Cl)n23)cnn1,MLLDBXGSEMWAQV-UHFFFAOYSA-N,3,1,0.512,90,255,388.765,3.4,4,0.499,0.72,1.0,0.7679134397916524,0.8761565348502501,0.8637259269412652,0.8700397505311493,0.8444589130285793
EOS-3-56184,COc1ncc(-c2ncnc(-c3cncc4nnc(-c5ccc(-c6cccc(Cl)c6C)cc5)n34)n2)cn1,JVANPPOSMJMOPU-UHFFFAOYSA-N,3,1,0.318,42,136,507.945,4.738,6,0.326,0.72,1.0,0.48498218079638133,0.4781714755671304,0.4255105887190734,0.4173377424439723,0.45150049688163935
EOS-3-56185,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5Cl)n34)cc2Cl)s1,YKEYGIBHGGQXPF-UHFFFAOYSA-N,3,1,0.489,16,772,504.79,5.552,5,0.29,0.71,1.0,0.7014426701391269,0.8020269344116236,0.7045867315468439,0.8080494825577411,0.7540264546638338
EOS-3-56186,FCc1nnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cc(C(F)(F)F)c2)o1,GDKDLDFDJAVDGE-UHFFFAOYSA-N,3,1,0.396,27,51,505.819,4.957,5,0.298,0.62,1.0,0.7531440614077171,0.7147471043794119,0.942053320540059,0.9072973065588377,0.8293104482215063
EOS-3-56187,Clc1cnc(-c2cncc3nnc(-c4cnc(-c5ccnnc5)nc4)n23)nc1,IAOVZAXGSMDYSJ-UHFFFAOYSA-N,3,1,0.306,50,261,388.782,2.149,5,0.457,0.69,1.0,0.23487081077376465,0.2903673497361387,0.11266362826399835,0.18845521211705846,0.20658925022274005
EOS-3-56188,c1ccc(-n2nnnc2-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccs6)cc5)n34)s2)cc1,QWUTZRSBMZPNPW-UHFFFAOYSA-N,3,1,0.303,30,465,504.604,5.891,7,0.29,0.72,1.0,0.061990267973408265,0.09517853471317936,0.3293554245767939,0.4393204715235419,0.23146117469673086
EOS-3-56189,CC(C)NCc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(Cl)c5)n34)nn2)nc1,WGBOQIKASIYDTN-UHFFFAOYSA-N,3,1,0.432,37,706,508.373,4.635,5,0.336,0.77,1.0,0.7261582482352135,0.710078130354328,0.5136299773833185,0.4829175519155644,0.6081959769721061
EOS-3-56190,Cc1ncc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cn1,LJTVVSCNUXUCOQ-UHFFFAOYSA-N,3,1,0.613,68,127,387.325,2.883,4,0.532,0.78,1.0,0.7442344595983825,0.6467171544102529,0.8906346377904187,0.6925245014049757,0.7435276883010074
EOS-3-56191,Cn1nnnc1-c1ccc(-c2nnc3cncc(Cc4cnc(F)cn4)n23)cc1,DVWIALXZMHXQSA-UHFFFAOYSA-N,3,1,0.395,85,447,388.37,1.502,5,0.455,0.75,1.0,0.2536152422726338,0.2642382290453019,0.09236001644849565,0.12110204920841615,0.18282888424371188
EOS-3-56192,Cc1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)nn1,MGPMOSJXJXBHSE-UHFFFAOYSA-N,3,1,0.532,68,127,387.325,2.883,4,0.532,0.79,1.0,0.6352203413062847,0.5744894112809266,0.8534027825371805,0.6604242341169214,0.6808841923103283
EOS-3-56193,CCn1cnc(-c2ccc(F)cc2)c1-c1nnc2cncc(OCc3ncc(-c4nncs4)s3)n12,NZFLORJBTPVPCV-UHFFFAOYSA-N,3,1,0.392,71,826,505.564,4.368,6,0.315,0.53,0.999,0.31497155780960867,0.3254232060859434,0.06747309985607566,0.11181550270714824,0.20492084161469398
EOS-3-56194,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccsc5)n34)c2)cn1,QSLVZGCFXNXLTM-UHFFFAOYSA-N,3,1,0.519,16,256,388.456,3.832,5,0.458,0.82,1.0,0.4163696799396889,0.2695582893564526,0.5543828387362073,0.47678363374683025,0.4292736104447948
EOS-3-56195,Cc1nnc(-c2cc(-c3cncc4nnc(-c5ccccc5)n34)cnc2F)s1,XQXWSHCMUBPSLR-UHFFFAOYSA-N,3,1,0.435,96,121,389.419,3.819,5,0.436,0.73,1.0,0.19338119388664246,0.30538516893975737,0.28918511411143855,0.36013638544308135,0.28702196559522997
EOS-3-56196,Cn1ncc(-c2nnc3cncc(-c4ccc(Cl)nc4)n23)c1-c1ccccn1,MBQXSMIEFNJJBP-UHFFFAOYSA-N,3,1,0.325,50,478,388.822,3.302,5,0.441,0.78,0.998,0.17357446371050647,0.23353437050236447,0.31842402851072577,0.43004249194709065,0.2888938386676718
EOS-3-56197,Fc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,MTAPWPLNCCQOJW-UHFFFAOYSA-N,3,1,0.39,83,950,502.887,6.586,6,0.295,0.76,1.0,0.34435610993077925,0.6414827633472688,0.9635134672058118,0.9830117880885477,0.7330910321431019
EOS-3-56198,CC(F)(F)c1ccc(Cc2cncc3nnc(-c4cnc(Cl)nc4)n23)cn1,HGISBUWHJLFUEC-UHFFFAOYSA-N,3,1,0.346,68,455,387.781,3.332,4,0.499,0.77,1.0,0.3420259063806456,0.3922966212048523,0.8667500514015489,0.7592865465012679,0.5900897813720787
EOS-3-56199,Cc1ccc(-c2nnc3cncc(OCc4ncc(C(F)(F)F)cn4)n23)cn1,XXLDZWXAEFJTIP-UHFFFAOYSA-N,3,1,0.524,68,127,387.325,2.883,4,0.532,0.81,1.0,0.6683829072716058,0.7556027688301008,0.882658830786101,0.7385802892193818,0.7613061990267973
EOS-3-56200,Cc1csc(C)c1-c1nnc2cncc(-c3ccc(-c4nnn(C)n4)cn3)n12,NSGDZJUMTLNYBS-UHFFFAOYSA-N,3,1,0.309,50,974,389.448,2.722,5,0.468,0.67,0.998,0.0410355698718388,0.07888424371187719,0.025555136728120074,0.021665752861352888,0.04178517579329724
EOS-3-56201,Cc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4nc[nH]n4)nc3)n12,OWPUFRCQVUJUPW-UHFFFAOYSA-N,3,1,0.325,22,844,388.822,3.6,5,0.507,0.7,1.0,0.24029367418271538,0.4250651086286067,0.4859930779247481,0.5614248509355082,0.4281941779178946
EOS-3-56202,COc1ccc(-c2nnc3cncc(OCc4ccnc(CBr)n4)n23)cc1-c1ncn(C)n1,AMXPNVWGSIECSM-UHFFFAOYSA-N,3,1,0.5,36,677,508.34,2.859,5,0.306,0.67,0.997,0.2968182441230896,0.31055959152902474,0.09023541909396203,0.04414536358028922,0.1854396545815914
EOS-3-56203,O=C(c1ccc(-c2cncc3nnc(-c4sc(C(F)F)nc4-c4ccc(F)cn4)n23)cn1)N1CCC1,GAVQJSXAYLTKTI-UHFFFAOYSA-N,3,1,0.347,52,169,508.489,4.294,6,0.349,0.71,0.214,0.1681858680008224,0.3053937358645741,0.017939140566102393,0.08889041189774519,0.14510228908231101
EOS-3-56204,Fc1ccc(-c2ncnnc2-c2cncc3nnc(-c4cc(F)ccn4)n23)cc1,DVORLMMPESPKDR-UHFFFAOYSA-N,3,1,0.329,22,356,388.341,2.984,5,0.469,0.72,0.946,0.25895243643341787,0.33968713590569527,0.5239359879377699,0.6719981495442396,0.44864342745528063
EOS-3-56205,Brc1ccccc1-c1cnc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)cn1,INYXHFMYFNOJPH-UHFFFAOYSA-N,3,1,0.365,30,93,506.367,5.74,6,0.303,0.75,1.0,0.19338976081145912,0.28506442327462134,0.6696765129189226,0.7437118771845658,0.4729606435473922
EOS-3-56206,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnco5)n34)ccn2)cc1,YMENLLRPTTUPEN-UHFFFAOYSA-N,3,1,0.597,97,183,388.362,3.559,5,0.455,0.79,1.0,0.9214670002056062,0.7283085463641971,0.6807021451579741,0.6634226578027551,0.7484750873826331
EOS-3-56207,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)Nc5ccc(F)c(F)c5)cc4)n23)nc1,VXPWSZZCHYPUQP-UHFFFAOYSA-N,3,1,0.47,3,219,510.468,3.574,6,0.373,0.79,1.0,0.1933983277362758,0.24421732574874924,0.4860016448495648,0.4615602083476115,0.34629437667055035
EOS-3-56208,Clc1cnc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)nc1,DDHYRRHZMYCRFQ-UHFFFAOYSA-N,3,1,0.345,86,261,387.794,2.754,5,0.465,0.78,1.0,0.22659516140086355,0.3157083133438421,0.16652388458638887,0.26420396134603524,0.24325783016928243
EOS-3-56209,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCc5ccc(Cl)s5)s4)n23)cc1,ICEMAUGLXIIPAX-UHFFFAOYSA-N,3,1,0.364,62,139,509.016,4.524,5,0.351,0.75,1.0,0.34675484887944624,0.30039065177164004,0.29280035638407237,0.2170773079295456,0.28925579124117606
EOS-3-56210,O=C(NCc1cnc(Cl)c(F)c1)c1ccc(COc2cncc3nnc(-c4ccc(F)cn4)n23)nc1,WUDFHXAFHQRWHB-UHFFFAOYSA-N,3,1,0.388,46,267,508.876,3.417,5,0.332,0.67,0.996,0.6382358988417518,0.4692361729833459,0.6207936399150161,0.5710797752038929,0.5748363717360017
EOS-3-56211,Cc1c(C2CCCCC2)nsc1Cc1cncc2nnc(-c3cccnc3)n12,IYUQGHAILZGVQO-UHFFFAOYSA-N,3,1,0.393,78,5,390.516,4.59,5,0.51,0.66,1.0,0.06023404838599136,0.07889281063669386,0.0011479679254334863,0.00997190048660133,0.03756168185868001
EOS-3-56212,Cc1cc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)n(C)n1,PBRDLKSAQUBEBB-UHFFFAOYSA-N,3,1,0.432,92,662,388.391,2.462,5,0.452,0.78,1.0,0.29134397916523885,0.2036957713659105,0.1297889109725173,0.07843019669659379,0.17581471455006512
EOS-3-56213,Cc1c2c(nn1C)CCN(c1cc(C(F)F)nc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)n1)C2,IKHFCONOWWTRSS-UHFFFAOYSA-N,3,1,0.346,66,542,507.936,4.444,6,0.355,0.64,0.669,0.17081591391953943,0.3105681584538414,0.05389452402165719,0.19391234322527587,0.18229773490507847
EOS-3-56214,Fc1cc(-c2nnc3cncc(Cc4c(Cl)ccc(-c5ncccc5F)c4F)n23)ccc1C(F)F,VJRMQZNBTSGJNV-UHFFFAOYSA-N,3,1,0.365,45,358,501.846,6.452,5,0.26,0.62,1.0,0.5432886710986224,0.7511565348502501,0.9945942704406826,0.9973870879309163,0.8216066410801179
EOS-3-56215,Fc1ccc(-c2nnc3cncc(OCc4cncc(-c5ccoc5)c4)n23)nc1,WGUYZKKXDMKWPG-UHFFFAOYSA-N,3,1,0.43,2,119,388.362,3.559,5,0.455,0.78,1.0,0.7322750325543143,0.47353676924131316,0.6723408265369063,0.657365841957371,0.6338796175724761
EOS-3-56216,COc1nc(-c2ccnc(F)c2)ccc1-c1nnc2cncc(OCc3ccc(-c4ncccn4)nc3)n12,NXEBLHMEBANKON-UHFFFAOYSA-N,3,1,0.458,28,414,507.489,3.827,6,0.294,0.61,1.0,0.7501627715715167,0.5607480638749914,0.39284490439311903,0.2876602014940717,0.49785398533342473
EOS-3-56217,Cc1nn(C)cc1-c1cncc2nnc(-c3nncnc3-c3cc(F)ccn3)n12,BYJFXBZFFXLXHA-UHFFFAOYSA-N,3,1,0.283,50,105,388.37,1.886,5,0.46,0.71,0.973,0.04104413679665547,0.09518710163799603,0.06969193338359263,0.10939106298403126,0.07882855870056885
EOS-3-56218,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cc(O)cc(F)c4)n23)nc1,MOVKDHFTRMLWBT-UHFFFAOYSA-N,3,1,0.342,50,844,388.366,2.494,5,0.506,0.68,0.993,0.22932801041738057,0.32982660544171066,0.3665530121307655,0.3923137550544856,0.3295053457610856
EOS-3-56219,Fc1cc(-c2cccnc2F)ccc1-c1nnc2cncc(OCC(F)F)n12,UXOPKYVYVZWUOW-UHFFFAOYSA-N,3,1,0.5,90,255,389.312,3.775,4,0.384,0.8,1.0,0.9254334863957234,0.9635220341306284,0.9716092111575629,0.9651154821465286,0.9564200534576108
EOS-3-56220,Brc1cc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)ccc1-c1cccnn1,GUWPAYGLVMBMHS-UHFFFAOYSA-N,3,1,0.342,32,596,508.343,4.53,6,0.342,0.64,1.0,0.26682544033993555,0.30540230278939073,0.5510160372832568,0.5678671783976423,0.42277773970255633
EOS-3-56221,Clc1cnc(-c2nccnc2-c2nnc3cncc(-c4cncnc4)n23)nc1,LXRCHMMYACWOKG-UHFFFAOYSA-N,3,1,0.263,86,206,388.782,2.149,5,0.457,0.66,1.0,0.14054040161743542,0.22884826262764718,0.07175656226440957,0.15321945034610376,0.14859116921389898
EOS-3-56222,Fc1cccc(-c2cncc3nnc(-c4cncnc4-c4cccnn4)n23)c1F,RSYDUCQOPWTOFB-UHFFFAOYSA-N,3,1,0.321,22,844,388.341,2.984,5,0.469,0.69,0.346,0.2913525460900555,0.3830100747035844,0.6147967925433486,0.7008001507778767,0.4974898910287163
EOS-3-56223,c1cnc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cn2)cn1,SSZFZYCGUITRQP-UHFFFAOYSA-N,3,1,0.5,55,540,388.416,2.679,5,0.453,0.76,1.0,0.44875265574669315,0.43851518059077516,0.1794513741347406,0.15590946473853745,0.3056571688026866
EOS-3-56224,CN(Cc1cccc(F)c1)C(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5cnn(C)n5)nn4)n23)cc1,FVDLEFHMYPWKNW-UHFFFAOYSA-N,3,1,0.457,61,331,509.509,2.579,6,0.336,0.7,1.0,0.07143101912137619,0.17307758207113974,0.1356401206223014,0.12111061613323282,0.12531483448701253
EOS-3-56225,COc1cc(Cl)nc(-c2cc(-c3nnc4cncc(Oc5nc(Cl)ncc5Cl)n34)nn2C)n1,PUDAAARVOFRFIO-UHFFFAOYSA-N,3,1,0.316,31,462,505.713,3.533,5,0.258,0.58,0.98,0.405121307655404,0.38765334795421835,0.12979747789733398,0.17732677678020697,0.2749747275717908
EOS-3-56226,Cc1ccc(-c2nnc3cncc(-c4nc(OCCc5ncccc5-c5ccc(F)cc5)nn4C)n23)nc1,OGTPUMUGBZTYSM-UHFFFAOYSA-N,3,1,0.3,10,979,507.533,4.113,6,0.318,0.61,0.161,0.32730792954561033,0.2642467959701186,0.17629017887739018,0.20540058940442738,0.24331137344938664
EOS-3-56227,Clc1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6ccccn6)s5)n34)sn2)ccn1,NRGORSOMHQOZIT-UHFFFAOYSA-N,3,1,0.421,28,297,504.0,5.666,6,0.27,0.63,1.0,0.47502741415941335,0.46924473990816257,0.4105527379891714,0.46786546501267906,0.4556725892673566
EOS-3-56228,Cc1cc(Cl)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,BILADABWUXBRBN-UHFFFAOYSA-N,3,1,0.648,90,708,387.23,3.776,4,0.531,0.82,1.0,0.8716246316222329,0.9422503598108423,0.5606709615516414,0.7092128709478446,0.7709397059831402
EOS-3-56229,Cc1ncc(-c2nnc3cncc(OCCc4ccccc4)n23)c(-c2ccc(C(=O)NC3CC3)c(F)c2)n1,LVYCMIIZSGEQJM-UHFFFAOYSA-N,3,1,0.573,52,309,509.545,4.21,6,0.334,0.8,1.0,0.462656774724145,0.2442258926735659,0.25280995133986706,0.29996230553080666,0.31491373106709614
EOS-3-56230,Cc1cnc(-c2nnc3cncc(COc4ccc(Cl)cc4Cl)n23)cn1,WEAHIXSGWVYVRL-UHFFFAOYSA-N,3,1,0.367,68,244,387.23,3.776,4,0.531,0.81,1.0,0.4559231718182441,0.4160698375711055,0.6446696593790693,0.7305445137413474,0.5618017956274416
EOS-3-56231,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(C(F)(F)F)nc(Cl)n4)n23)c(F)c1,HXZMIVROBWAKGD-UHFFFAOYSA-N,3,1,0.473,27,51,504.835,4.372,5,0.259,0.53,1.0,0.6410801178808855,0.8214824206702762,0.9445634295113426,0.8784439037763004,0.8213924679597011
EOS-3-56232,Cn1nc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1-c1ccc(F)c(F)c1Cl,LTSLKLGJQGRCDN-UHFFFAOYSA-N,3,1,0.43,95,998,506.275,4.89,5,0.316,0.58,1.0,0.49240970461243233,0.4963504900280995,0.9481187033102597,0.9609776574600781,0.7244641388527174
EOS-3-56233,FC1(F)CCC(Oc2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nc5)n34)cc2)CC1,GYBTVVSGISQICD-UHFFFAOYSA-N,3,1,0.59,66,12,505.447,5.741,5,0.311,0.7,1.0,0.9706925502021794,0.8922709204304023,0.9568141319991775,0.9404770063737921,0.9400636522513879
EOS-3-56234,Cc1ccc(-c2nnc3cncc(OCc4c(F)c(F)cc(F)c4F)n23)cn1,PKVPBOXGDKWCKW-UHFFFAOYSA-N,3,1,0.545,90,255,389.312,3.63,4,0.394,0.74,1.0,0.9293742718113905,0.9274467137276403,0.9687135905695292,0.9527962442601604,0.9445827050921801
EOS-3-56235,CCn1nc(C)nc1-c1ncc(-c2cncc3nnc(-c4ccc(C(N)=O)cn4)n23)c(OCC(F)F)n1,KWYVCVBABWKWTD-UHFFFAOYSA-N,3,1,0.286,33,432,507.465,1.973,5,0.328,0.5,0.996,0.1681944349256391,0.16082687958330477,0.024381468028236583,0.014092591323418545,0.09187384346514976
EOS-3-56236,Cc1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(N)=O)c(-c6ccc(F)c(F)c6)c5)n34)cn2)ncn1,AHPBCRNHKBMOAS-UHFFFAOYSA-N,3,1,0.381,96,150,509.48,3.787,6,0.374,0.65,0.997,0.03515865944760469,0.1308769104242341,0.6832979233774245,0.6316565005825509,0.3702474984579535
EOS-3-56237,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCCOc3ccc(F)cc3Cl)n12,OSPFNEDOCZJMPM-UHFFFAOYSA-N,3,1,0.463,11,313,506.925,4.897,5,0.26,0.69,1.0,0.8627664313617983,0.7425382084846823,0.6995665136042766,0.6404804331437187,0.736337896648619
EOS-3-56238,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccccn4)n23)cc1F,KEVKVBUHAXGOAP-UHFFFAOYSA-N,3,1,0.33,39,961,387.353,3.589,5,0.471,0.83,1.0,0.30971146597217464,0.3735093550818998,0.6385100404358851,0.7333373312315811,0.5137670481803851
EOS-3-56239,Cc1cc(-c2nnc3cncc(Cc4cc(Cl)cnc4F)n23)ccc1Cl,GWJSHLJRIGNCDM-UHFFFAOYSA-N,3,1,0.372,90,225,388.233,4.531,4,0.484,0.81,1.0,0.4416935096977589,0.6039339318758139,0.9345229936262079,0.9604807758207115,0.7351578027551231
EOS-3-56240,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)c(Cl)cc2Cl)cn1,WCJYMQXMSFAKMY-UHFFFAOYSA-N,3,1,0.488,59,607,505.287,5.495,5,0.296,0.64,1.0,0.6683914741964224,0.8175759029538757,0.9866184634363648,0.9882718799259818,0.8652144301281612
EOS-3-56241,Cn1nc(-c2nnc3cncc(Oc4cncnc4)n23)cc1-c1ccnc(F)c1,AQHWHLKYWZSUKE-UHFFFAOYSA-N,3,1,0.359,95,694,389.354,2.308,5,0.431,0.65,0.995,0.3788551161675005,0.38301864162840105,0.30380028784867386,0.28766876841888833,0.33833570351586595
EOS-3-56242,c1cc(-c2ccc(-c3nnc4cncc(OCc5cnccn5)n34)s2)ccn1,WVIWDBLRUAGPSY-UHFFFAOYSA-N,3,1,0.429,7,119,387.428,3.284,5,0.457,0.88,1.0,0.24030224110753204,0.19915530121307656,0.2631159618943184,0.25210746350490026,0.23867024192995684
EOS-3-56243,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C#N)nc4)n23)cn1,CMQLWNQAKVDXGH-UHFFFAOYSA-N,3,1,0.582,90,555,386.375,1.392,4,0.544,0.84,1.0,0.5614077170858749,0.32543177301076004,0.23483654307449797,0.12111918305804949,0.3106988040572956
EOS-3-56244,Cc1nc(-c2cccc(-c3nnc4cncc(Cc5cccs5)n34)c2)cs1,RYWLWHLVJIAVOH-UHFFFAOYSA-N,3,1,0.373,14,81,389.509,4.876,5,0.44,0.82,1.0,0.06372935371119183,0.12763004591871702,0.35903981906654786,0.37332944966074977,0.23093216708930162
EOS-3-56245,Cc1cc(F)cc(-c2nnc3cncc(OCc4cn(C(F)F)nc4C)n23)c1,IDUVUTCSZCBGAD-UHFFFAOYSA-N,3,1,0.538,68,555,388.353,3.718,4,0.521,0.7,1.0,0.37663628263998356,0.5055599342060174,0.8175844698786924,0.7199386608183127,0.6049298368857514
EOS-3-56246,Cc1cccnc1-c1nc(CCOc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)ccc1F,BOASCSINCNPEAZ-UHFFFAOYSA-N,3,1,0.51,52,398,509.545,4.21,6,0.334,0.77,0.977,0.6590706599958879,0.2541206908368172,0.2065399904050442,0.2170858748543623,0.33420430402302786
EOS-3-56247,Fc1cnc(-c2cccc(-c3cncc4nnc(-c5cccc(F)c5)n34)n2)nc1,JGHFJCCTGRCVSG-UHFFFAOYSA-N,3,1,0.471,96,140,387.353,3.589,5,0.471,0.81,1.0,0.24031080803234872,0.4341374820094579,0.602768830100747,0.6839318758138578,0.4902872489891028
EOS-3-56248,Fc1ccc(F)c(-c2nnc3cncc(-c4ccc(-c5cnccn5)nc4)n23)c1,IMVPWGAUTILKHR-UHFFFAOYSA-N,3,1,0.37,45,575,387.353,3.589,5,0.471,0.83,0.995,0.30457131108217395,0.48691830580494827,0.7952504968816394,0.82468645055171,0.6028566410801179
EOS-3-56249,Cc1noc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6(C)CC6)cc5)n34)nc(C#N)n2)n1,AFNFYUFFZXHBFG-UHFFFAOYSA-N,3,1,0.422,89,398,508.502,2.673,6,0.343,0.63,1.0,0.5,0.31571688026865874,0.02056061956000274,0.020123706394352684,0.21410030155575355
EOS-3-56250,CCn1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc(-c2cccc(Cl)c2)c1=O,ORGICOSEQXCOCR-UHFFFAOYSA-N,3,1,0.479,11,275,507.381,4.963,5,0.31,0.7,1.0,0.36495099719004864,0.36886608183126585,0.6208022068398328,0.7171801110273456,0.5179498492221232
EOS-3-56251,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ccns5)n34)c2)cn1,UNSDXQGPUDNUIL-UHFFFAOYSA-N,3,1,0.519,16,256,389.444,3.227,5,0.459,0.63,1.0,0.3718388047426496,0.25412925776163386,0.3366715783702282,0.2908213967514221,0.3133652594064834
EOS-3-56252,O=C(NCc1ccc(Cl)cc1)c1ccc(-c2nnc3cncc(-c4cccc(-c5nn[nH]n5)n4)n23)nc1,OQVKUODLPFRQFY-UHFFFAOYSA-N,3,1,0.367,76,776,509.921,3.012,6,0.345,0.73,0.424,0.26683400726475226,0.2390086354602152,0.22043554245767938,0.24899766979644986,0.2438189637447742
EOS-3-56253,Cc1ccnc(-c2nnc3cncc(OCc4cnc(C(F)(F)F)nn4)n23)c1,BYOMUZYEXPZLLV-UHFFFAOYSA-N,3,1,0.42,68,127,388.313,2.278,4,0.524,0.62,1.0,0.42105578781440617,0.42507367555342335,0.49256390925913235,0.3156826125693921,0.4135939962990885
EOS-3-56254,FC(F)(F)CCOc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,ZDYAZUBJFUEDDJ-UHFFFAOYSA-N,3,1,0.52,68,324,387.325,2.975,4,0.52,0.74,1.0,0.8376996093482284,0.7684617229799191,0.8057192790076074,0.7034473305462271,0.7788319854704955
EOS-3-56255,Fc1ccc(-c2nnc3cncc(OCc4nccnc4-c4ccoc4)n23)cc1,IVXNRKBFDSBHBJ-UHFFFAOYSA-N,3,1,0.57,4,401,388.362,3.559,5,0.455,0.75,1.0,0.8692772942224659,0.7468730724419163,0.5340449592214379,0.554931121924474,0.6762816119525735
EOS-3-56256,CCn1cncc1-c1cc(-c2nnc3cncc(OCCc4cncc(Br)c4)n23)ccc1F,XICZOPHWWPAYEK-UHFFFAOYSA-N,3,1,0.516,26,125,508.355,4.593,5,0.32,0.67,1.0,0.8173017613597423,0.6710300870399561,0.6531252141731204,0.6142485093550819,0.6889263929819752
EOS-3-56257,Cc1nnc(C(F)c2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)o1,VQHWXHMXBWJOKA-UHFFFAOYSA-N,3,1,0.387,85,81,388.366,2.999,5,0.462,0.68,1.0,0.28565554108697144,0.3003992186964567,0.3439705983140292,0.2760434514426701,0.3015172023850319
EOS-3-56258,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cccnn5)n34)cn2)cc1F,BIBUOBHKUYJWNE-UHFFFAOYSA-N,3,1,0.321,45,140,387.353,3.589,5,0.471,0.8,1.0,0.3373140977314783,0.46041224042217804,0.8121958741690083,0.8482112260982798,0.6145333596052361
EOS-3-56259,Fc1cccc(-c2cnnc(-c3cncc4nnc(-c5ccccc5F)n34)n2)c1,PSQRYTRSYPLJSN-UHFFFAOYSA-N,3,1,0.443,45,730,387.353,3.589,5,0.471,0.81,1.0,0.26960112398053593,0.5096634911932013,0.6617949420875883,0.797375094236173,0.5596086628743746
EOS-3-56260,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccn(C)n5)n34)cn2)cn1,VYOJQCHWOYZUMG-UHFFFAOYSA-N,3,1,0.386,92,828,388.395,1.294,5,0.443,0.68,1.0,0.11352032074566513,0.022076965252552944,0.061596189431841544,0.03267425125077102,0.05746693167020766
EOS-3-56261,CCn1cc(-c2ccc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)c(OC)n2)cn1,MOEQDMPJCRYEQV-UHFFFAOYSA-N,3,1,0.409,52,229,510.558,3.218,6,0.342,0.78,1.0,0.02130594201905284,0.001567747241450209,0.00907237338085121,0.010340278253718046,0.010571585223768077
EOS-3-56262,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5cccnn5)n34)cnn2)s1,CWPGHRXDOFZWLI-UHFFFAOYSA-N,3,1,0.333,53,875,389.404,2.596,5,0.457,0.62,1.0,0.3743060790898499,0.3004077856212734,0.07400109656637653,0.06372935371119183,0.2031110787471729
EOS-3-56263,CCc1nc(-c2nnc3cncc(OCc4cccc(-c5nnnn5C)c4)n23)ccc1-c1cncn1CC,LNKYYAYRRKXKOR-UHFFFAOYSA-N,3,1,0.39,71,448,507.562,3.402,6,0.304,0.58,0.986,0.19906963196490987,0.1308854773490508,0.06748166678089233,0.04962819546295662,0.1117662428894524
EOS-3-56264,Cc1nnc(-c2nc(-c3cccc(-c4nnc5cncc(OCc6ccc(Cl)s6)n45)c3)n[nH]2)s1,ZSTTZRVZLSSHND-UHFFFAOYSA-N,3,1,0.454,4,506,507.992,4.697,6,0.344,0.67,1.0,0.5459529847166061,0.6614693989445548,0.11267219518881502,0.16370536632170515,0.37094998629292025
EOS-3-56265,Clc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5cccc(Br)n5)n34)c2)cc1,JIKBGLLURXDGMI-UHFFFAOYSA-N,3,1,0.462,11,560,507.779,5.286,5,0.291,0.74,1.0,0.7588582002604345,0.8214909875950929,0.6941522171201425,0.7644781029401686,0.7597448769789596
EOS-3-56266,Fc1cc(-c2cncs2)nc(Cl)c1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,LPYKHOSTHORXAA-UHFFFAOYSA-N,3,1,0.462,73,490,506.325,4.911,5,0.302,0.6,0.999,0.7232369268727298,0.797657802755123,0.6860136385443081,0.7905472551572887,0.7493639058323623
EOS-3-56267,Cc1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,GZTKMBNYZDTESD-UHFFFAOYSA-N,3,1,0.395,63,334,385.431,2.373,5,0.566,0.87,1.0,0.15185730930025357,0.026651703104653552,0.067490233705709,0.07267322321979303,0.07966811733260229
EOS-3-56268,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(-c6ccc(Cl)nn6)n5)n4)n23)cc1,XIUFOWZLJVQAMC-UHFFFAOYSA-N,3,1,0.32,98,541,509.921,2.904,6,0.371,0.61,1.0,0.038062846960455074,0.15324515112055376,0.14476389555205263,0.13852717428551847,0.11864976697964498
EOS-3-56269,Cc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cn1,ZMIXFYFQTXISNX-UHFFFAOYSA-N,3,1,0.592,90,708,387.23,3.776,4,0.531,0.8,1.0,0.6654016174354054,0.8647967925433486,0.6503580974573367,0.7305530806661641,0.7277773970255637
EOS-3-56270,CN1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)nc2)CC1,HWMYJMVGOBRTKR-UHFFFAOYSA-N,3,1,0.475,0,175,512.574,1.713,6,0.407,0.88,1.0,0.04258618326365568,0.00046261394010006166,0.0001028030978000137,0.0002827085189500377,0.010858577205126448
EOS-3-56271,Cc1nccc(-c2ccc(-c3nnc4cncc(OCc5nc(-c6ccccn6)ncc5Cl)n34)nc2)n1,FNSWRFCAMQITFP-UHFFFAOYSA-N,3,1,0.42,6,414,508.933,4.036,6,0.325,0.66,0.999,0.6097851415255979,0.6087142759235145,0.19255020217942567,0.1964567198958262,0.40187658488109107
EOS-3-56272,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C(F)(F)F)nn5)cc4Cl)n23)cc1,GQYZQAWGEWGEKU-UHFFFAOYSA-N,3,1,0.371,62,3,509.879,4.947,5,0.368,0.82,1.0,0.3221163731067096,0.49635905695291616,0.9537300390651772,0.8991587279830032,0.6678410492769515
EOS-3-56273,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ncccn5)nn4)n23)nc1-c1ccccn1,UNFABRSCCXCOJB-UHFFFAOYSA-N,3,1,0.412,6,297,508.477,3.381,6,0.299,0.62,0.999,0.6439414707696526,0.4020286477965869,0.1447724624768693,0.12970324172435063,0.3301114556918649
EOS-3-56274,O=C(c1ccc(-c2cncc3nnc(-c4ccccc4F)n23)nn1)N1CCC(OCc2ccncc2)CC1,HIJGGNADDLTBSK-UHFFFAOYSA-N,3,1,0.356,52,821,510.533,3.604,6,0.341,0.83,1.0,0.10329141251456377,0.10460215201151395,0.02877630045918717,0.16139229662120486,0.09951554040161743
EOS-3-56275,CCOc1ncc(C#N)cc1COc1cncc2nnc(-c3ncccc3C)n12,NBVXZTJIKBFLEO-UHFFFAOYSA-N,3,1,0.427,31,457,387.403,2.739,4,0.496,0.74,1.0,0.3743146460146666,0.21838804742649578,0.24198135837159893,0.1458347611541361,0.24512970324172434
EOS-3-56276,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)cn4C)n23)c(Cl)c1,UUPJLBJJIPGBBU-UHFFFAOYSA-N,3,1,0.519,90,708,388.258,4.324,4,0.522,0.74,1.0,0.5900383798231786,0.7005945445822768,0.8637344938660818,0.8841323418545679,0.7596249400315263
EOS-3-56277,Cc1nn(C)cc1-c1cncc2nnc(-c3nccnc3-c3ncc(F)cn3)n12,AHVNKSHMHKVNIZ-UHFFFAOYSA-N,3,1,0.276,50,206,388.37,1.886,5,0.46,0.65,0.957,0.061998834898224935,0.0889675142210952,0.03626379274895483,0.04687821259680625,0.058527088616270304
EOS-3-56278,Clc1cnc(-c2cncc3nnc(-c4ccc(-c5ccnnc5)nc4)n23)nc1,NDJISMLRZFRMPR-UHFFFAOYSA-N,3,1,0.312,50,261,387.794,2.754,5,0.465,0.71,1.0,0.2589610033582345,0.3591254883147145,0.2745528065245699,0.36990267973408264,0.3156354944829004
EOS-3-56279,Cc1ncc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)nc1C,FNVXRVGEELNKEI-UHFFFAOYSA-N,3,1,0.295,63,437,385.431,2.757,5,0.58,0.9,1.0,0.09343088205057913,0.013827016654101843,0.0322544719347543,0.04415393050510589,0.04591657528613529
EOS-3-56280,Cc1cccc(-c2nccnc2-c2nnc3cncc(-c4nnnn4C)n23)c1F,IOGZIXBKSYXWPG-UHFFFAOYSA-N,3,1,0.274,50,542,388.37,1.886,5,0.46,0.63,0.987,0.07536323761222671,0.1343465149749846,0.05191556438900692,0.10298300322116373,0.09115208004934548
EOS-3-56281,Cc1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(C#N)cc5)c4)n23)nc1,PJNAJWSFFSYOSF-UHFFFAOYSA-N,3,1,0.346,62,3,388.434,4.7,5,0.447,0.81,1.0,0.18502844219039133,0.2237595092865465,0.8534113494619971,0.8618926050304982,0.5310229764923583
EOS-3-56282,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4)n23)cn1,FOKVDSAELIAYTB-UHFFFAOYSA-N,3,1,0.467,55,283,388.366,2.69,5,0.461,0.68,1.0,0.7014512370639435,0.622652662600233,0.5067250359810842,0.4522051264478103,0.5707585155232677
EOS-3-56283,CCn1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Br)c5)n34)nn2C)c(C)n1,UBSNEMHSSWUOBB-UHFFFAOYSA-N,3,1,0.436,31,569,508.384,3.496,5,0.31,0.62,1.0,0.19080254951682543,0.07890137756151051,0.08033205400589405,0.0592659858817079,0.10232549174148448
EOS-3-56284,Cn1cc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NCc6cccc(Cl)n6)cc5)n34)cn2)cn1,BNQHZSATCXNZBM-UHFFFAOYSA-N,3,1,0.35,74,246,510.949,3.356,6,0.341,0.79,1.0,0.06024261531080803,0.09823692687272977,0.36304057295593173,0.29680111027345624,0.20458030635323143
EOS-3-56285,Fc1ccc(-c2nnc3cncc(-c4nncc(-c5ccccc5)n4)n23)cc1F,QLTAETRGQWXJCO-UHFFFAOYSA-N,3,1,0.417,45,316,387.353,3.589,5,0.471,0.76,1.0,0.3857343567952848,0.5744979782057432,0.6941607840449592,0.7973836611609897,0.6129441950517442
EOS-3-56286,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,LWKMZYHZOOKLGI-UHFFFAOYSA-N,3,1,0.56,90,196,387.23,3.776,4,0.531,0.76,1.0,0.7411932012884654,0.8359862243848948,0.5743180727845932,0.6808734836543074,0.7080927455280652
EOS-3-56287,O=C(N=c1cccc[nH]1)c1ccc(-c2nnc3cncc(-c4cccnc4-c4ccc(F)c(F)c4)n23)cc1,VOLNOBLZLPUNGG-UHFFFAOYSA-N,3,1,0.333,83,484,505.488,4.868,6,0.369,0.51,0.919,0.210103831128778,0.30041635254609006,0.8019155643890069,0.7644866698649853,0.519230604482215
EOS-3-56288,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)cc1)N1CCc2ccccc2C1,ZFTPMGUEAGBUMP-UHFFFAOYSA-N,3,1,0.337,30,93,509.573,5.114,7,0.328,0.83,1.0,0.029076142827770542,0.029281749023370572,0.2490662051949832,0.3536597902816805,0.16527097183195122
EOS-3-56289,Fc1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,BODAFXXYBXSWQB-UHFFFAOYSA-N,3,1,0.346,96,478,387.353,3.589,5,0.44,0.81,1.0,0.31744739908162567,0.42945994105955726,0.8193064217668425,0.8266739771091769,0.5982219347543005
EOS-3-56290,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1,OAGIAMUPXQPMTP-UHFFFAOYSA-N,3,1,0.598,90,281,387.23,3.51,4,0.488,0.75,1.0,0.8122472757179083,0.9409738880131588,0.6059043245836474,0.714721403604962,0.7684617229799191
EOS-3-56291,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4Cl)n23)cn1,TWADQOLNBDNBHF-UHFFFAOYSA-N,3,1,0.558,90,255,387.777,4.005,4,0.495,0.74,1.0,0.9293828387362073,0.9380782674251251,0.9481272702350764,0.9429185799465424,0.9396267390857378
EOS-3-56292,Cn1ncnc1-c1ccc(-c2cncc3nnc(-c4cncc(CF)c4)n23)nc1,FZCDVUMMSFRNQC-UHFFFAOYSA-N,3,1,0.305,50,974,387.382,2.513,5,0.467,0.73,0.995,0.1270474950311836,0.11407717085874855,0.23127270235076416,0.23758652594064836,0.17749597354533617
EOS-3-56293,O=C(NCCc1cccc(F)n1)c1ccc(-c2cncc3nnc(-c4cnc(C(F)(F)F)nc4)n23)nc1,QJMSGVWMBSQKTK-UHFFFAOYSA-N,3,1,0.319,50,243,509.427,3.169,5,0.274,0.73,1.0,0.32473785210060996,0.3782125968062504,0.59975327256528,0.42369440065793984,0.4315995305325201
EOS-3-56294,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3cnc(Cl)cn3)n12,YDPRCJGDGYJEQI-UHFFFAOYSA-N,3,1,0.525,90,555,387.23,3.776,4,0.531,0.75,1.0,0.6684000411212391,0.82538037146186,0.6560722363100542,0.7333458981563977,0.7207996367623878
EOS-3-56295,c1cnc(-c2cc(COc3cncc4nnc(-c5cnccn5)n34)cs2)cn1,UAHVLOYNQSCOHF-UHFFFAOYSA-N,3,1,0.432,7,324,388.416,2.679,5,0.453,0.67,1.0,0.37886368309231716,0.3004249194709067,0.17629874580220684,0.15870228222877117,0.2535724076485505
EOS-3-56296,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccon5)cc4)n23)cc1,LGCTZTDKTUARCQ-UHFFFAOYSA-N,3,1,0.714,1,951,387.374,4.164,5,0.451,0.87,1.0,0.9465166883695428,0.8291926530052772,0.8388475772736619,0.822750325543143,0.8593268110479062
EOS-3-56297,O=C(NCc1ccc(F)c(F)c1)c1ccc(-c2nnc3cncc(-c4cn(-c5cccnc5)nn4)n23)nc1,PLHYJOYVWFIGIA-UHFFFAOYSA-N,3,1,0.368,10,37,510.468,3.037,6,0.362,0.65,0.999,0.13280446850798439,0.16466486190117197,0.4959564114865328,0.4645500651086286,0.3144939517510794
EOS-3-56298,c1cnc(CCOc2cncc3nnc(-c4cc(-c5nnco5)cnn4)n23)cn1,ZOYUMIHFBFEBGX-UHFFFAOYSA-N,3,1,0.402,53,466,388.351,1.043,5,0.411,0.66,1.0,0.3045798780069906,0.11709272839421561,0.025563703652936743,0.02502398738948667,0.11806507436090741
EOS-3-56299,Fc1ccc(F)c(CCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,LBPPSASREZCDBR-UHFFFAOYSA-N,3,1,0.402,66,225,387.34,4.187,4,0.482,0.81,0.995,0.5173908573778356,0.7597405935165513,0.9639932149955452,0.9598896580083613,0.8002535809745734
EOS-3-56300,Cn1nc(C(=O)NCCc2cc(F)ccn2)cc1Cc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,UMSRUCIAVPNZOX-UHFFFAOYSA-N,3,1,0.36,14,81,508.92,3.415,5,0.361,0.53,0.907,0.36267219518881505,0.4692533068329792,0.3782468645055171,0.45221369337262696,0.4155965149749846
EOS-3-56301,Cn1cncc1-c1nnc2cncc(OCc3ccc(-c4ccnn4C)nn3)n12,PCWKYHQJKUXWQN-UHFFFAOYSA-N,3,1,0.389,53,105,388.395,1.294,5,0.443,0.64,1.0,0.12705606195600028,0.07890994448632718,0.04488211911452265,0.027859639503803716,0.06967694126516345
EOS-3-56302,Fc1cccc(F)c1-c1ccc(-c2cncc3nnc(-c4ccnnc4)n23)cn1,GPPOMTIJVKQCBF-UHFFFAOYSA-N,3,1,0.356,45,46,387.353,3.589,5,0.471,0.75,1.0,0.27231683914741966,0.42508224247824,0.8305290932766775,0.8619011719553149,0.597457336714413
EOS-3-56303,c1ccc(-c2cc(-c3nnc4cncc(OCC5CCCOC5)n34)ccn2)nc1,CSHKOYTVDWGBAO-UHFFFAOYSA-N,3,1,0.477,63,548,388.431,3.054,5,0.519,0.6,1.0,0.330049345486944,0.13089404427386744,0.0390137756151052,0.13414090877938456,0.1585245185388253
EOS-3-56304,CCn1c(C)nnc1CCc1cncc2nnc(-c3nc(C(F)F)n(C)n3)n12,PFAPCBBRYXHRNM-UHFFFAOYSA-N,3,1,0.292,78,793,388.386,1.562,4,0.494,0.62,0.927,0.05161572202042355,0.01981529710095264,0.0009337948050167911,0.00036837776711671577,0.018183297923377424
EOS-3-56305,Cc1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)c(Cl)n1,GTIJSYYDUWEKPZ-UHFFFAOYSA-N,3,1,0.488,68,127,388.218,3.171,4,0.496,0.65,1.0,0.5537060516756905,0.6662668768418888,0.39655438283873623,0.4709495579466795,0.5218692173257488
EOS-3-56306,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cncs5)n34)cn2)nc1,PJLQXUIAPMFSDY-UHFFFAOYSA-N,3,1,0.5,24,786,387.428,3.284,5,0.457,0.81,1.0,0.4726201082859297,0.447390514700843,0.24907477211979986,0.2316924816667809,0.35019446919333835
EOS-3-56307,c1cnnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c1,UCXAGOVWJRPPIS-UHFFFAOYSA-N,3,1,0.471,55,875,387.428,3.284,5,0.457,0.78,1.0,0.390291960797752,0.4294685079843739,0.28208313343842095,0.2727794530875197,0.3436557638270167
EOS-3-56308,Cn1nc(-c2nnc3cncc(Oc4ccccc4)n23)cc1-c1cncc(F)c1,KPGNGSBEVWNVCE-UHFFFAOYSA-N,3,1,0.476,95,956,387.378,3.518,5,0.469,0.8,1.0,0.3945839901309026,0.3346840518127613,0.4686707559454458,0.5082585155232677,0.42654932835309434
EOS-3-56309,Cn1nnc(-c2cnc(COc3cncc4nnc(-c5cnccn5)n34)nc2)n1,BLHIMBHLKZQUAX-UHFFFAOYSA-N,3,1,0.352,51,48,388.355,0.141,5,0.405,0.67,1.0,0.2237081077376465,0.12413474059351655,0.005671304228634089,0.0026643136179836887,0.0890446165444452
EOS-3-56310,Fc1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)cn4)n23)nc1,XQZWLQHOABJCJB-UHFFFAOYSA-N,3,1,0.365,39,72,387.353,3.589,5,0.471,0.73,1.0,0.24291515317661572,0.4020372147214036,0.7070968405181276,0.7905558220821054,0.5356512576245631
EOS-3-56311,COc1ncc(-c2nnc3cncc(OCc4nc(-c5ncccn5)ncc4F)n23)cc1-c1cccnc1,QMLLPJAMNUABFZ-UHFFFAOYSA-N,3,1,0.433,80,34,508.477,3.222,6,0.314,0.57,0.982,0.6267733534370502,0.5991535878281132,0.1858937015968748,0.14584332807895278,0.3894159927352478
EOS-3-56312,Clc1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)nc1,ANRGXJQVKQEAHJ-UHFFFAOYSA-N,3,1,0.319,86,261,386.806,3.359,5,0.469,0.8,1.0,0.20738811596189433,0.3298351723665273,0.3630491398807484,0.47980775820711397,0.345020046604071
EOS-3-56313,CCn1nnc(-c2cc(Oc3cncc4nnc(-c5ccccc5)n34)n(C)n2)n1,LOBRRIOMIXTWLU-UHFFFAOYSA-N,3,1,0.434,36,292,388.395,1.99,5,0.449,0.65,1.0,0.2536238091974505,0.20854465081214446,0.006956342951134261,0.0050459187170173395,0.11854268041943664
EOS-3-56314,Cc1cc(-c2cncc3nnc(-c4cnc(-c5cncc(F)c5)nc4)n23)n(C)n1,SLNDUWUXFJBMLS-UHFFFAOYSA-N,3,1,0.316,50,489,387.382,2.491,5,0.469,0.73,1.0,0.12136762387773285,0.18583373312315812,0.19590843670755945,0.20826194229319445,0.17784293400041123
EOS-3-56315,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5nccn5C)n34)cc2)n1,HTPXJPGZEUUNEB-UHFFFAOYSA-N,3,1,0.459,36,320,387.407,2.197,5,0.492,0.73,1.0,0.42813206771297374,0.32544033993557675,0.10202350764169693,0.06218730724419162,0.22944580563360978
EOS-3-56316,COc1ccc(-c2ncnnc2-c2nnc3cncc(-c4nnn(-c5csc(Cl)n5)n4)n23)cc1F,ZQSCHURNHFMZKK-UHFFFAOYSA-N,3,1,0.293,99,356,508.89,2.544,6,0.338,0.58,0.385,0.02908470975258721,0.19454629566170928,0.044890686039339316,0.09473305462271263,0.09081368651908711
EOS-3-56317,Brc1cc(-c2nnc3cncc(-c4cccc(-c5ccncc5)n4)n23)ccc1-c1ccccc1,UBYUWCKGQUPPGW-UHFFFAOYSA-N,3,1,0.354,93,93,505.379,6.345,6,0.28,0.75,1.0,0.2746470426975533,0.34473305462271264,0.8286358028921939,0.8585086697279145,0.5766311424850936
EOS-3-56318,Clc1cc(-c2cncc(-c3nnc4cncc(OCCc5cncc(Br)c5)n34)c2)ccn1,UGEVEMKZNIZINH-UHFFFAOYSA-N,3,1,0.489,2,419,508.767,4.681,5,0.308,0.68,1.0,0.7293879788910973,0.7976663696799396,0.7147128366801453,0.7437204441093825,0.7463719073401411
EOS-3-56319,Cc1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)n(C)n1,MXINLGKZSAVEAJ-UHFFFAOYSA-N,3,1,0.46,36,320,387.407,2.197,5,0.492,0.73,1.0,0.40101775066822015,0.2541378246864506,0.12411760674388321,0.07843876362141046,0.21442798642999109
EOS-3-56320,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5cnncn5)n34)nc2)n1,XPRNSSHHFVEMDQ-UHFFFAOYSA-N,3,1,0.402,7,828,388.351,1.309,5,0.43,0.7,1.0,0.2940939620313892,0.19005722705777534,0.03226303885957097,0.019326982386402576,0.13393530258378453
EOS-3-56321,c1cc(-c2cc(-c3nnc4cncc(OCc5ccns5)n34)ccn2)ncn1,MEKHOSJCGKCFOG-UHFFFAOYSA-N,3,1,0.5,75,99,388.416,2.679,5,0.453,0.65,1.0,0.47503598108423,0.329843739291344,0.17945994105955726,0.1614008635460215,0.2864351312452882
EOS-3-56322,Cc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3ccc(Oc4cccnc4)c(F)c3)n12,XROHVNBTSUOEFE-UHFFFAOYSA-N,3,1,0.451,28,247,508.517,4.801,6,0.303,0.69,1.0,0.7078935645260778,0.5557192790076074,0.6417826057158522,0.5185131245288191,0.6059771434445892
EOS-3-56323,c1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(-c5ncnn5Cc5ccncc5)nc4)n23)cc1,KKYYDYJVDNBGDC-UHFFFAOYSA-N,3,1,0.282,30,515,509.537,4.012,7,0.327,0.67,0.956,0.13004591871701734,0.06808135151805908,0.21344493180727847,0.2642125282708519,0.16894618257830168
EOS-3-56324,COc1ncc(-c2nnc3cncc(COCCc4cccc(Cl)c4)n23)cc1-c1cncc(Cl)c1,ILJVYYRHXKQXMI-UHFFFAOYSA-N,3,1,0.41,14,657,507.381,5.323,5,0.263,0.76,1.0,0.4031252141731204,0.42947707490919057,0.7689586046192859,0.7859039819066548,0.5968662189020629
EOS-3-56325,FC(F)c1ccc(-c2nnc3cncc(-c4nnn(-c5nc(-c6ccc(Cl)cc6)cs5)n4)n23)cc1,LEGGWKQZXMDBFR-UHFFFAOYSA-N,3,1,0.341,3,158,507.917,5.149,6,0.318,0.71,0.999,0.1242546775409499,0.43414604893427455,0.554391405661024,0.7062572818860942,0.45476235350558564
EOS-3-56326,Cc1cc(COc2cncc3nnc(-c4cnnc(-c5ccn[nH]5)c4)n23)n(C)n1,GNJDCOPDSKILOB-UHFFFAOYSA-N,3,1,0.398,92,662,388.395,1.592,5,0.481,0.63,1.0,0.2560396819957508,0.19006579398259202,0.07176512918922623,0.0455332054005894,0.1408509526420396
EOS-3-56327,CCc1nc(-c2nnc3cncc(OCc4nc(-c5cccnc5)cs4)n23)ccc1-c1ccnc(C)c1,IZIRRIYZDSKIAT-UHFFFAOYSA-N,3,1,0.404,28,667,506.595,5.217,6,0.29,0.62,0.997,0.2723254060722363,0.25917517647865124,0.227537523130697,0.17464532931258994,0.23342085874854362
EOS-3-56328,COc1cc(-c2nc(C)n[nH]2)ccc1-c1nnc2cncc(OCC(F)F)n12,GKEOUVTZKRBOMM-UHFFFAOYSA-N,3,1,0.494,68,947,387.35,2.537,4,0.542,0.66,1.0,0.5432972380234391,0.5325029127544376,0.5543999725858406,0.37966040710026727,0.5024651326159961
EOS-3-56329,Clc1cncc2nnc(-c3cccnc3-c3cccc(Br)c3)n12,PCPVCQWEDBPMJK-UHFFFAOYSA-N,3,1,0.661,22,861,386.64,4.269,4,0.516,0.81,1.0,0.2560482489205675,0.3638458638886985,0.7331574258104311,0.8567096155164142,0.5524402885340278
EOS-3-56330,CCn1ccc(-c2cncc3nnc(-c4cncnc4-c4cncc(F)c4)n23)n1,SWVBJAVIMNFCJO-UHFFFAOYSA-N,3,1,0.277,50,489,387.382,2.666,5,0.467,0.74,0.934,0.18226989239942432,0.19916386813789322,0.19255876910424233,0.23170104859159757,0.20142339455828936
EOS-3-56331,Cc1ncc(-c2cccc(-c3nnc4cncc(OCc5ccn(C)n5)n34)c2)o1,IMEPABIBIMJEAJ-UHFFFAOYSA-N,3,1,0.5,4,506,387.403,3.067,5,0.457,0.76,1.0,0.2511479679254335,0.19007436090740867,0.2745613734493866,0.17465389623740663,0.22260939962990883
EOS-3-56332,COCCn1cc(-c2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cn1,BTVOAYFLAADZBC-UHFFFAOYSA-N,3,1,0.342,82,336,387.403,2.956,5,0.442,0.76,1.0,0.15740010965663764,0.03217736961140429,0.2855870056884381,0.252116030429717,0.18182012884654924
EOS-3-56333,Fc1ccc(C#CCc2cc(-c3nnc4cncc(-c5cn(-c6cnccn6)nn5)n34)ccc2F)cc1F,SJLUXLMUOKXLQK-UHFFFAOYSA-N,3,1,0.333,10,872,509.455,3.841,6,0.333,0.61,0.967,0.035167226372421354,0.2591837434034679,0.8862226715098348,0.8857086560208347,0.5165705743266397
EOS-3-56334,Cn1cnc(-c2nnc3cncc(OCc4cc(-c5ccccn5)nn4C)n23)n1,DTWOPPAEGWDANF-UHFFFAOYSA-N,3,1,0.404,53,105,388.395,1.294,5,0.443,0.61,0.983,0.14603180042491948,0.07891851141114385,0.014341032143101912,0.008267082448084436,0.061889606606812426
EOS-3-56335,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cn[nH]c5)n34)nc2)n1,XVJSOPRGOMJUQY-UHFFFAOYSA-N,3,1,0.435,31,779,388.395,1.326,5,0.462,0.61,0.905,0.46520115139469537,0.21839661435131244,0.048266054417106435,0.0347817147556713,0.19166138372969638
EOS-3-56336,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnn(C5CC5)c4)n23)cc1,SUJWTXORCUDTQC-UHFFFAOYSA-N,3,1,0.347,63,437,385.431,2.882,6,0.57,0.85,1.0,0.04843739291343979,0.018230416009869098,0.023473373997669796,0.08522376807621136,0.04384123774929752
EOS-3-56337,COCc1cc(-c2nnc3cncc(OCc4cc(C#N)ccn4)n23)cc(C)n1,FBMDYDWKECPCLB-UHFFFAOYSA-N,3,1,0.512,92,677,387.403,2.487,4,0.496,0.67,1.0,0.465209718319512,0.35913405523953124,0.4437924062778425,0.30963436364882463,0.3944426358714276
EOS-3-56338,COc1cc(-c2nnc3cncc(OCc4cccnc4)n23)ccc1-c1csc(Cc2ccccc2)n1,DHQBWFXMJSUULM-UHFFFAOYSA-N,3,1,0.5,12,427,506.591,5.488,6,0.27,0.76,1.0,0.38574292372010144,0.29037591666095536,0.5676358714275923,0.46156877527242823,0.4263308717702693
EOS-3-56339,Fc1ncccc1-c1cccc(-c2nnc3cncc(OCc4cocn4)n23)c1,HIXWUQYYFAAPIU-UHFFFAOYSA-N,3,1,0.693,1,744,388.362,3.559,5,0.425,0.7,1.0,0.5702145157974093,0.5372489891028717,0.6589592899732712,0.6202881913508327,0.5966777465560962
EOS-3-56340,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4cnccn4)n23)c1,JQJKJNOOSIRAQL-UHFFFAOYSA-N,3,1,0.4,92,828,387.367,0.746,5,0.425,0.74,1.0,0.2993454869440066,0.09824549379754643,0.02557227057775341,0.02403879103556987,0.11180051058871908
EOS-3-56341,N=c1ncc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)c[nH]1,FTVXVFADJNMGET-UHFFFAOYSA-N,3,1,0.435,90,811,387.766,1.198,4,0.526,0.72,1.0,0.484990747721198,0.4066119525735042,0.16343979165238845,0.19646528682064285,0.3128769446919334
EOS-3-56342,Cc1cccc(-c2ccc(Oc3cncc4nnc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)nc2)c1F,UCYMDIQOWQOWRS-UHFFFAOYSA-N,3,1,0.54,62,310,510.529,4.566,6,0.342,0.81,1.0,0.3626807621136317,0.07892707833596052,0.1826982386402577,0.2700551709958193,0.2235903125214173
EOS-3-56343,CCOc1cc(-c2cc(C)nn2C)ccc1-c1cncc2nnc(-c3ccc(-c4ccncc4)c(F)c3)n12,KSVIDHWQHSKJDX-UHFFFAOYSA-N,3,1,0.337,9,38,505.557,5.767,6,0.286,0.61,1.0,0.31245288191350834,0.3494876978959633,0.7850301555753547,0.6953087519703927,0.5355698718388047
EOS-3-56344,Cc1ncc(-c2nnc3cncc(-c4c(-c5ncc(F)cn5)ncn4C)n23)cn1,UICQMNIXDYQPFP-UHFFFAOYSA-N,3,1,0.272,50,489,388.37,1.886,5,0.46,0.58,0.985,0.15988451785347133,0.18584230004797478,0.05390309094647385,0.0637379206360085,0.1158419573709821
EOS-3-56345,Cc1nn(C)cc1-c1nnc2cncc(-c3ccc(-c4nnc(C)n4C)cn3)n12,BIAXHDKAZBDQSU-UHFFFAOYSA-N,3,1,0.3,50,974,386.423,1.999,5,0.467,0.79,1.0,0.02337913782468645,0.01982386402576931,0.015574669316702077,0.008969570283051197,0.016936810362552256
EOS-3-56346,COc1ccc(Cl)cc1-c1nnc2cncc(-c3cc(-c4nnc(-c5ccsc5)s4)nn3C)n12,DDFFAFMNXOPRGU-UHFFFAOYSA-N,3,1,0.344,10,63,507.004,5.101,6,0.321,0.58,0.792,0.14054896854225207,0.29038448358577207,0.21670036323761221,0.2727880200123364,0.23010545884449318
EOS-3-56347,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccccc4-c4cccc(-c5cncnc5)n4)n23)cc1,RTJMJALSMMLYMT-UHFFFAOYSA-N,3,1,0.329,69,696,507.561,5.378,7,0.308,0.63,1.0,0.15740867658145433,0.07542320608594338,0.580357754780344,0.5583064903022411,0.3428740319374957
EOS-3-56348,O=C(O)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccncc5)o4)n23)cn1,XCZGJPASFHNUHQ-UHFFFAOYSA-N,3,1,0.295,50,844,386.331,1.996,5,0.486,0.82,0.99,0.0912034815982455,0.052755123021040365,0.0697005003084093,0.04554177232540607,0.06480021931327531
EOS-3-56349,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccccc5Br)n34)cnn2)c1F,DSAMPCDRDFMLPX-UHFFFAOYSA-N,3,1,0.631,19,732,509.314,4.911,5,0.324,0.72,1.0,0.8716331985470496,0.9255277225687067,0.8862312384346515,0.8979079569597698,0.8953250291275444
EOS-3-56350,Cc1ncc(-c2nnc3cncc(-c4oc(C)nc4-c4ccc(F)cc4)n23)cn1,JDVSKDWBKWETHD-UHFFFAOYSA-N,3,1,0.36,82,478,387.378,3.659,5,0.466,0.71,1.0,0.272333972997053,0.41607840449592215,0.35170653142348024,0.3635631553697485,0.35092051607155095
EOS-3-56351,Cn1cnnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)c(-c5ncc(C#N)n5C)c4)n23)nc1,IBXTXXCFPRPESJ-UHFFFAOYSA-N,3,1,0.37,67,789,509.921,3.7,6,0.34,0.7,1.0,0.4465166883695429,0.6710386539647728,0.3630577068055651,0.3699112466588993,0.46263107394969505
EOS-3-56352,Cc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4ccc(F)nn4)cn3)n12,SICKAORCMRDCQX-UHFFFAOYSA-N,3,1,0.305,50,813,387.382,2.491,5,0.469,0.64,0.598,0.06545987252415873,0.13090261119868413,0.22376807621136316,0.21709444177917894,0.15930625042834623
EOS-3-56353,CCc1nc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cc(C(F)F)nc(C2CC2)n1,LPJRZQYQMRMDJC-UHFFFAOYSA-N,3,1,0.396,31,690,506.542,5.056,6,0.288,0.59,0.636,0.4559317387430608,0.4385237475155918,0.09693475430059625,0.1297118086491673,0.28027551230210407
EOS-3-56354,CCn1cc(-c2cncc(-c3nnc4cncc(Oc5ccnn5C)n34)c2)cn1,LDYBKOXQNSDLOV-UHFFFAOYSA-N,3,1,0.337,92,36,387.407,2.596,5,0.457,0.73,1.0,0.185037009115208,0.0982540607223631,0.1569374957165376,0.09086080460557878,0.13277234253992187
EOS-3-56355,FC(F)c1cc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)nn5)ns4)n23)ccc1Cl,XKXMCMSCZKCNII-UHFFFAOYSA-N,3,1,0.494,16,134,507.313,4.923,5,0.319,0.59,0.997,0.732283599479131,0.8429768350352957,0.7712888081694195,0.8127698581317251,0.7898297752038929
EOS-3-56356,Cc1nnc(-c2cc(COc3cncc4nnc(-c5cnccn5)n34)ncn2)o1,FJJYCBKUTXIZRF-UHFFFAOYSA-N,3,1,0.376,7,828,388.351,1.309,5,0.43,0.59,0.996,0.2101123980535947,0.12763861284353367,0.02056918648481941,0.01321019806730176,0.09288259886231238
EOS-3-56357,CCn1ncnc1-c1cncc2nnc(-c3ccc(-c4ccccc4F)cn3)n12,QYTQLMVYLQIUHC-UHFFFAOYSA-N,3,1,0.355,22,844,386.394,3.271,5,0.471,0.83,0.998,0.10813172503598109,0.1991724350627099,0.20284764580906037,0.33451271331642796,0.21116612980604482
EOS-3-56358,Cn1cc(-c2cccc(-c3nnc4cncc(OCc5ncn(C)n5)n34)c2)cn1,JQQJNIJDPIZAKP-UHFFFAOYSA-N,3,1,0.437,36,404,387.407,1.899,5,0.454,0.69,1.0,0.2348793776985813,0.17730964293057364,0.11563635117538208,0.0834846823384278,0.1528275135357412
EOS-3-56359,COc1cc(-c2cc(C)ncn2)ccc1-c1nnc2cncc(-c3nncc(-c4ncccc4Cl)n3)n12,BFZDOHQMDOECRD-UHFFFAOYSA-N,3,1,0.307,10,77,508.933,4.133,6,0.335,0.55,0.999,0.3221249400315263,0.32085703515865943,0.3038088547734905,0.3156911794942088,0.31562050236447126
EOS-3-56360,Cc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)nn3)n12,LTWDYEQHMBZOCE-UHFFFAOYSA-N,3,1,0.368,22,844,386.394,3.096,5,0.474,0.77,0.677,0.062007401823041604,0.17308614899595642,0.3293639915016106,0.38931533136865193,0.23844321842231514
EOS-3-56361,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ncc(F)c(-c5cncnc5)n4)n23)nc1C,MQYQENJQUHBOMN-UHFFFAOYSA-N,3,1,0.318,80,855,509.509,3.343,6,0.315,0.61,0.979,0.4281406346377904,0.39230518812966897,0.14770235076416968,0.11182406963196491,0.2699930607908985
EOS-3-56362,Fc1ccc(-c2cncc(-c3cncc4nnc(-c5cnc(C(F)(F)F)c(Cl)c5)n34)n2)cc1Cl,QLLJLUBOZOOXKK-UHFFFAOYSA-N,3,1,0.366,45,575,506.25,5.775,5,0.289,0.65,1.0,0.4603265711740114,0.680753546706874,0.9884603522719485,0.9876978959632651,0.7793095915290248
EOS-3-56363,Cc1nn(C)cc1-c1nnc2cncc(-c3ccc(-c4cncnc4)cc3F)n12,MGFLWYGIUXLHAV-UHFFFAOYSA-N,3,1,0.325,82,478,386.394,3.096,5,0.474,0.78,0.41,0.0654684394489754,0.17309471592077308,0.4860102117743815,0.49197279144678224,0.304136539647728
EOS-3-56364,c1ccc(-c2ccc(-c3nnc4cncc(-c5cnn(Cc6cccc(-c7ncccn7)n6)n5)n34)cn2)cc1,CFASPOVGLGHFKU-UHFFFAOYSA-N,3,1,0.282,30,945,509.537,4.012,7,0.327,0.62,0.316,0.11895175107943252,0.05657597148927421,0.14180830649030224,0.1829638133095744,0.12507496059214585
EOS-3-56365,Cn1c(Cc2ccccc2)nnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,PXLBUNBCZDREJI-UHFFFAOYSA-N,3,1,0.511,77,177,509.961,4.2,6,0.315,0.7,1.0,0.5929511342608458,0.7768230416009869,0.22377664313617984,0.33133438420944417,0.4812213008018642
EOS-3-56366,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)nc4)n23)c(Cl)c1,SQHXXRLVTFZMJX-UHFFFAOYSA-N,3,1,0.416,22,861,385.214,3.259,4,0.546,0.84,1.0,0.23757795901583167,0.33469261873757794,0.7252501542046467,0.7952247961071893,0.5231863820163114
EOS-3-56367,Fc1c(F)c(F)c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)c(F)c1F,OPZKDJPMPABJDB-UHFFFAOYSA-N,3,1,0.409,73,469,505.794,4.571,5,0.196,0.61,0.967,0.7232454937975464,0.8676067438832157,0.9657580015077788,0.9628623809197451,0.8798681550270715
EOS-3-56368,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncc(Cl)nn5)c(F)c4)n23)cc1Cl,QNCHNVLURTWMBK-UHFFFAOYSA-N,3,1,0.341,61,648,511.304,4.241,5,0.372,0.78,1.0,0.6529453087519704,0.6467257213350696,0.6503666643821534,0.6462545404701528,0.6490730587348366
EOS-3-56369,CCn1nnnc1-c1cncc2nnc(-c3ccc(-c4nc(C)nn4C)cc3)n12,KTIRGWZEDNPPCT-UHFFFAOYSA-N,3,1,0.352,36,447,387.411,1.569,5,0.456,0.66,1.0,0.04997087245562333,0.029290315948187238,0.003666643821533822,0.002415872798300322,0.02133592625591118
EOS-3-56370,Clc1cc(CCOc2cncc3nnc(-c4cc(-c5cnccn5)cnc4-c4ncccn4)n23)ccn1,ANYLBBRLLLTMKN-UHFFFAOYSA-N,3,1,0.453,80,34,508.933,3.77,6,0.294,0.6,1.0,0.7322921664039477,0.7055547940511274,0.29642416558152285,0.3187153039544925,0.5132466074977725
EOS-3-56371,O=C(NC1CCOC1)c1ccc(-c2nnc3cncc(OCc4cncc(-c5ncccc5F)c4)n23)cc1,AWCHZNFRVHRDCB-UHFFFAOYSA-N,3,1,0.437,89,656,511.517,3.485,6,0.353,0.77,1.0,0.4824806387499143,0.0951956685628127,0.37825543143033374,0.3568809540127476,0.3282031731889521
EOS-3-56372,Cn1ncc(-n2cc(-c3cncc4nnc(-c5ccc(C(=O)NCc6ccc(Cl)cn6)cc5)n34)cn2)n1,XSLIPQZFIOBGKO-UHFFFAOYSA-N,3,1,0.368,74,246,511.937,2.751,6,0.361,0.76,1.0,0.04997943938044,0.10814029196079775,0.21345349873209513,0.18297238023439105,0.138636402576931
EOS-3-56373,Clc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5Cl)n34)cc2Cl)ccn1,ZPILHGZYJGFXMT-UHFFFAOYSA-N,3,1,0.593,35,919,502.814,6.497,5,0.248,0.62,1.0,0.8944040847097526,0.9255362894935234,0.9281149338633404,0.9585446508121445,0.9266499897196903
EOS-3-56374,Cc1cc(COc2cncc3nnc(-c4ccnc(-c5nccn5C)c4)n23)on1,XUBXIRFBEQLISU-UHFFFAOYSA-N,3,1,0.575,7,99,388.391,2.462,5,0.452,0.61,1.0,0.3097200328969913,0.14175690494140222,0.10473922280858063,0.06219587416900829,0.1546030087039956
EOS-3-56375,c1cncc(OCc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,MXLFIBGIHJRAKW-UHFFFAOYSA-N,3,1,0.378,75,767,386.44,3.889,5,0.456,0.87,1.0,0.2773541909396203,0.19455486258652593,0.47523302035501336,0.4458484682338428,0.3482476355287506
EOS-3-56376,Cc1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cc1,MLPYQJXDEOCYDQ-UHFFFAOYSA-N,3,1,0.639,23,17,386.789,4.61,4,0.481,0.82,1.0,0.990045233363032,0.9839198821191145,0.9730912891508464,0.9734168322938798,0.9801183092317182
EOS-3-56377,FC(F)Oc1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,PXCCNLSSFLHVME-UHFFFAOYSA-N,3,1,0.593,48,225,386.789,4.637,4,0.501,0.79,1.0,0.9056096223699541,0.9481701048591598,0.980270372147214,0.9844938660818313,0.9546359913645398
EOS-3-56378,CCn1cnnc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ncc(Br)cn4)n23)c1,QBQOKUNMIDETML-UHFFFAOYSA-N,3,1,0.494,37,908,510.331,3.383,5,0.328,0.64,1.0,0.533188266739771,0.43853231444040847,0.14181687341511892,0.17204098416832295,0.32139460969090533
EOS-3-56379,C#CCCc1cncc2nnc(-c3cc(-c4ccc(Cl)cn4)cc(=NC)[nH]3)n12,UGLWUKWABBNTII-UHFFFAOYSA-N,3,1,0.33,78,753,389.85,2.931,4,0.544,0.49,0.955,0.05162428894524022,0.03524432869577136,0.4255191556438901,0.4489325611678432,0.24033008361318622
EOS-3-56380,Cn1cnc(COc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)n1,FSSPHOVVSUKHPS-UHFFFAOYSA-N,3,1,0.427,36,404,387.407,1.899,5,0.454,0.67,1.0,0.24563943526831608,0.16863134809128916,0.1020320745665136,0.07656260708656021,0.14821636625316975
EOS-3-56381,Cc1cnc(-c2cc(-c3ncc(F)cn3)cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)cn1,YFUFYKTZXGOUDE-UHFFFAOYSA-N,3,1,0.495,80,247,509.48,4.266,6,0.304,0.65,1.0,0.8018812966897403,0.5850181618806113,0.6446782263038859,0.5645860461928586,0.6490409327667741
EOS-3-56382,Fc1cccc(-c2cncc(-c3nnc4cncc(OCCc5ccc(Oc6ncccn6)nc5)n34)c2)n1,HRPUKGDGZCDQAL-UHFFFAOYSA-N,3,1,0.464,28,414,507.489,3.986,6,0.279,0.52,1.0,0.6715269686793228,0.45608594338976083,0.43646768555959153,0.3377424439723117,0.47545576040024673
EOS-3-56383,CC#Cc1ccc(COc2cncc3nnc(-c4ccc(C(=O)O)cc4)n23)cn1,YAWYZCIFYCTMQK-UHFFFAOYSA-N,3,1,0.641,89,636,385.383,2.835,4,0.527,0.86,1.0,0.482489205674731,0.08578918511411143,0.589901309026112,0.3345212802412446,0.37317524501404975
EOS-3-56384,Cc1c(-c2cncc3nnc(-c4ccncc4F)n23)c(-c2ncccn2)nn1C,HZKXLVQIGSHRPE-UHFFFAOYSA-N,3,1,0.316,50,489,387.382,2.491,5,0.469,0.65,1.0,0.07537180453704338,0.14937290110341991,0.08531800424919471,0.12112774998286616,0.10779761496813103
EOS-3-56385,Cn1nc(-c2cncc3nnc(-c4ccc(C(N)=O)nc4)n23)nc1C1=CCCC1,NCPUVYLUPWXPLM-UHFFFAOYSA-N,3,1,0.322,78,66,387.407,1.648,5,0.563,0.64,0.745,0.15463299294085395,0.0644832430950586,0.0006853539853334248,0.00029127544376670553,0.055023216366253166
EOS-3-56386,CCc1cc(-c2nnc3cncc(-c4ccc(F)c(Cl)c4)n23)nc(CF)n1,VXXHFQPJBVYEOO-UHFFFAOYSA-N,3,1,0.312,68,861,386.793,4.073,4,0.528,0.75,1.0,0.3857514906449181,0.4604208073469947,0.5441710643547393,0.6779607292166404,0.5170760228908231
EOS-3-56387,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)nc2C2CCOC2)s1,YSKDSEBSDKRULI-UHFFFAOYSA-N,3,1,0.359,31,690,507.967,3.54,6,0.336,0.57,0.303,0.3247464190254266,0.24919470906723323,0.015583236241518745,0.04178089233088891,0.15782631416626686
EOS-3-56388,COc1cnc(-c2cnc(OC)c(COc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c2)nc1,JREBXPYIGPZKMY-UHFFFAOYSA-N,3,1,0.505,27,69,510.436,3.653,5,0.321,0.7,1.0,0.9118120759372216,0.8136779521622918,0.7869919813583716,0.4798163251319306,0.7480745836474539
EOS-3-56389,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnn(C)n5)c4)n23)ccc1-c1ncccn1,UOIILKOOZAXNKV-UHFFFAOYSA-N,3,1,0.489,40,247,509.505,3.771,6,0.317,0.62,1.0,0.7201785347131794,0.5557278459324241,0.5306610239188541,0.3952522102666027,0.5504549037077651
EOS-3-56390,Cc1cnnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NCCC#N)c(F)c5)n34)ccn2)n1,BFDWFSVVLRNTQT-UHFFFAOYSA-N,3,1,0.415,89,788,510.493,2.708,5,0.308,0.65,1.0,0.43460009594955795,0.21840518127612912,0.23484510999931466,0.17466246316222328,0.26562821259680625
EOS-3-56391,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(C(F)F)n4C)n23)nc1,DUMVBYXPEWNVGX-UHFFFAOYSA-N,3,1,0.302,68,542,385.338,1.279,4,0.562,0.73,0.359,0.1135288876704818,0.12045952984716606,0.05009937632787335,0.027868206428620382,0.0779890000685354
EOS-3-56392,Fc1ccc(F)c(-c2nccnc2-c2nnc3cncc(-c4cn(-c5cnc(Cl)nc5)nn4)n23)c1F,GLXQVCQUBGCBQL-UHFFFAOYSA-N,3,1,0.239,39,872,507.827,3.357,6,0.261,0.51,0.797,0.022274004523336305,0.19918100198752656,0.5544085395106573,0.6662240422178055,0.3605218970598314
EOS-3-56393,Cc1noc(C)c1-c1ccc(-c2cncc3nnc(-c4cnc(-c5ccsc5)cc4Cl)n23)c(F)c1,UWCQLNLFSYHYHJ-UHFFFAOYSA-N,3,1,0.289,42,287,502.962,6.646,6,0.268,0.65,0.908,0.277362757864437,0.387661914879035,0.7757950106229867,0.7973922280858063,0.5595529778630663
EOS-3-56394,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cccc(F)c5)n34)cc2)nc1,MUMUJORZQPGXTJ-UHFFFAOYSA-N,3,1,0.441,96,558,386.365,4.194,5,0.465,0.83,1.0,0.3988503186896032,0.5143924336920019,0.8436107874717291,0.8743746144883833,0.6578070385854293
EOS-3-56395,Cc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,VLVDQORPJWZJQM-UHFFFAOYSA-N,3,1,0.686,90,555,386.242,4.381,4,0.521,0.81,1.0,0.9560945103145775,0.9422589267356589,0.8708107737646494,0.9063121102049209,0.9188690802549517
EOS-3-56396,COc1ncc(-c2cn(C)nc2C)nc1COc1cncc2nnc(-c3ccc(-c4nccn4C)nc3)n12,WPADRGCQRYNLDC-UHFFFAOYSA-N,3,1,0.385,80,816,509.534,2.673,6,0.316,0.59,0.999,0.25115653485025013,0.13091117812350078,0.04332293879788911,0.015274826948118703,0.11016636967993969
EOS-3-56397,Fc1nnc(-c2cc(-c3nnc4cncc(OCc5cnc(C(F)(F)F)nc5)n34)ccc2Cl)s1,MVLZLZBXZZMFSV-UHFFFAOYSA-N,3,1,0.506,27,900,508.848,4.49,5,0.32,0.62,1.0,0.9214755671304229,0.9304708381879241,0.8436193543965458,0.7592951134260846,0.8637152182852443
EOS-3-56398,CCCn1nncc1-c1cncc2nnc(-c3ccc(-c4ccsc4)cc3)n12,NIKWQCJYOQISCW-UHFFFAOYSA-N,3,1,0.316,74,336,387.472,4.188,5,0.452,0.74,1.0,0.05485401960112398,0.060431087656774726,0.12150469467479953,0.2144729627852786,0.1128156911794942
EOS-3-56399,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccno5)n4)n23)cc1OCc1cc(F)ccn1,ZIUPPWACQOIEJY-UHFFFAOYSA-N,3,1,0.309,42,72,509.461,3.115,6,0.339,0.53,0.957,0.40751147967925433,0.3591426221643479,0.3928534713179357,0.31569974641902543,0.3688018298951408
EOS-3-56400,Clc1ccccc1-c1cncc2nnc(-c3cnc(-c4cncnc4)cn3)n12,URZCPTRUTWEUFX-UHFFFAOYSA-N,3,1,0.386,94,72,386.806,3.359,5,0.469,0.69,1.0,0.20169111095881023,0.33470118566239465,0.48927421012953193,0.6256682201357001,0.4128336817216093
EOS-3-56401,CCn1c(C)nc(-c2cnc(F)cn2)c1-c1cncc2nnc(-c3ccc(-c4ccc(OC)nn4)cc3)n12,BCQYKQJCFAFEMP-UHFFFAOYSA-N,3,1,0.316,98,193,508.521,4.045,6,0.328,0.58,0.959,0.38347268864368445,0.42509080940305666,0.13891268590226852,0.12763004591871702,0.26877655746693163
EOS-3-56402,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnnn6-c6ccccc6)nc5)n34)cc2)nn1,XCKUVKVMIXUBGO-UHFFFAOYSA-N,3,1,0.318,30,465,510.525,3.656,7,0.337,0.63,1.0,0.0327856212733877,0.0490199438009732,0.14182544033993558,0.1720495510931396,0.09892013912685901
EOS-3-56403,Cn1cnnc1-c1ccc(-c2ncccc2-c2cncc3nnc(-c4ncncc4-c4ccccc4)n23)cn1,AQEQRAKRCCAMED-UHFFFAOYSA-N,3,1,0.262,30,179,509.537,4.168,7,0.336,0.59,0.643,0.10814029196079775,0.015197724624768693,0.21001816188061134,0.2672966212048523,0.1501631999177575
EOS-3-56404,Cc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1n[nH]c(-c2ccc(Cl)cc2)n1,SVMXNYXUJKALSS-UHFFFAOYSA-N,3,1,0.573,91,883,508.973,5.222,6,0.315,0.73,1.0,0.8648910287163319,0.8676153108080323,0.5899098759509287,0.6047563566582139,0.7317931430333768
EOS-3-56405,COc1cc(OC(F)F)ccc1-c1cncc2nnc(-c3cnc(CC(F)Cc4ccccc4)cn3)n12,XYRMACURJGZAHA-UHFFFAOYSA-N,3,1,0.414,96,586,506.488,4.982,5,0.279,0.53,0.994,0.5486258652594065,0.6087228428483311,0.9115893358919882,0.8602648893153314,0.7323007333287643
EOS-3-56406,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(=O)NCc5cccc(F)c5)nc4)n23)cn1,JRKKSBNUEHUZHF-UHFFFAOYSA-N,3,1,0.485,89,656,512.505,2.589,5,0.324,0.88,1.0,0.689680282365842,0.4692618737577959,0.2820917003632376,0.15871084915358782,0.39993617641011586
EOS-3-56407,Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ncon5)nc4)n23)ccn1,ZEGXZWBFTSQVJD-UHFFFAOYSA-N,3,1,0.558,7,863,387.363,1.914,5,0.441,0.68,1.0,0.5229593585086697,0.2798043314371873,0.0634723459666918,0.04555033925022274,0.2279465937906929
EOS-3-56408,Cn1ccnc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Oc5ccc(F)nc5)nn4)n23)c1,RGRNBODGCNZCDJ-UHFFFAOYSA-N,3,1,0.447,15,247,509.505,3.93,6,0.281,0.63,1.0,0.6097937084504146,0.5144010006168186,0.36656157905558223,0.2999708724556233,0.4476817901446097
EOS-3-56409,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cc(Cl)n2)c(F)c1,WBIBGZANFUILOW-UHFFFAOYSA-N,3,1,0.547,34,13,503.818,5.781,5,0.173,0.66,1.0,0.9616287437461449,0.9661092454252621,0.9935405386882324,0.9964875608251662,0.9794415221712014
EOS-3-56410,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4ccccn4)n23)cc1F,UCBKGQMBXCQJKL-UHFFFAOYSA-N,3,1,0.37,96,140,386.365,4.194,5,0.465,0.8,1.0,0.36046192858611475,0.44274724145020905,0.8286443698170105,0.8682064286203824,0.6250149921184291
EOS-3-56411,Cc1nn(C)cc1-c1cncc2nnc(-c3cccnc3-c3cc(F)ccn3)n12,QBZNVLSNLHWBRH-UHFFFAOYSA-N,3,1,0.325,50,844,386.394,3.096,5,0.474,0.74,0.999,0.0637379206360085,0.15703173188952094,0.292808923308889,0.3217565622644096,0.20883378452470702
EOS-3-56412,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cccc(F)c5)cn4)n23)cc(-c2cnc(F)cn2)n1,BLFXQFMKBHQVBG-UHFFFAOYSA-N,3,1,0.398,28,414,509.48,4.266,6,0.324,0.59,1.0,0.5869200191899115,0.5991621547529299,0.5239445548625865,0.5216828867109862,0.5579274038791036
EOS-3-56413,Cc1nnsc1-c1cccc(COc2cncc3nnc(-c4cccc(-c5cc(=O)n(C)cn5)c4)n23)n1,RGNNMGLLDJXKFB-UHFFFAOYSA-N,3,1,0.44,81,218,509.555,3.353,6,0.332,0.57,1.0,0.130054485641834,0.17310328284558973,0.12412617366869988,0.10708656020834761,0.1335926255911178
EOS-3-56414,Cn1nccc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)Oc5ccccc5Cl)cc4)n23)nc1,PQNACRXFTRNMAS-UHFFFAOYSA-N,3,1,0.336,30,787,507.941,5.126,6,0.235,0.74,1.0,0.23197519018573093,0.29552463847577276,0.7096069494894113,0.6519172777739702,0.4722560139812213
EOS-3-56415,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,MNJLQTMXQUQRIY-UHFFFAOYSA-N,3,1,0.584,90,708,386.242,4.381,4,0.521,0.8,1.0,0.720187101637996,0.8788979507915838,0.8266825440339935,0.8771759989034337,0.8257358988417517
EOS-3-56416,Cn1cnc(COc2cncc3nnc(-c4cccc(-c5cnn(C)c5)c4)n23)c1,LCGBOZQVVBSWIF-UHFFFAOYSA-N,3,1,0.471,92,506,386.419,2.504,5,0.461,0.75,1.0,0.19622541292577617,0.16083544650812145,0.3257401823041601,0.23170961551641422,0.22862766431361797
EOS-3-56417,Cn1cnc(CCCNC(=O)c2ccc(-c3nnc4cncc(Cc5cnc(C(C)(C)C)nc5)n34)nc2)c1,XNCCGTCSSPTKKU-UHFFFAOYSA-N,3,1,0.297,33,647,510.606,2.961,5,0.316,0.68,0.944,0.09588958947296279,0.02208553217736961,0.017073881159618942,0.0023045027756836405,0.03433837639640875
EOS-3-56418,Cc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4ccnc(F)c4)nc3)n12,LASVTGSAPPBDFG-UHFFFAOYSA-N,3,1,0.358,50,478,386.394,3.096,5,0.443,0.76,0.986,0.09121204852306217,0.19008292783222536,0.4288945240216572,0.40771708587485433,0.2794766465629498
EOS-3-56419,Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)ccc1Cl,VFEUMSKQWUOKGN-UHFFFAOYSA-N,3,1,0.622,90,555,386.242,4.381,4,0.487,0.84,1.0,0.877681447467617,0.894652525529436,0.8980021931327531,0.9140737440888219,0.8961024775546569
EOS-3-56420,Cc1nnc(-c2ccc(-c3nnc4cncc(COc5ccnnc5)n34)cc2)o1,IUCZJGLBONLQFO-UHFFFAOYSA-N,3,1,0.381,72,487,386.375,2.519,5,0.449,0.74,1.0,0.39885888561441984,0.2903930505105887,0.1891148653279419,0.14096018093345214,0.25483174559660066
EOS-3-56421,Cc1ncc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)cn1,KCZAKBIIAWYPOS-UHFFFAOYSA-N,3,1,0.53,65,811,385.79,2.699,4,0.488,0.74,1.0,0.7733534370502364,0.8359947913097114,0.42552772256870675,0.4522222602974436,0.6217745528065245
EOS-3-56422,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cccc(Oc6ccccn6)n5)n34)cnn2)ccn1,VJXKPWZCLMYGJT-UHFFFAOYSA-N,3,1,0.429,28,942,507.489,3.986,6,0.279,0.46,0.999,0.5672503598108423,0.5651257624563086,0.41056130491398807,0.34403056678774585,0.4717419984922212
EOS-3-56423,Cc1nn(C)c(-c2ccc(-c3cncc4nnc(-c5ccc(C(=O)N6CCOCC6)cc5)n34)c(F)c2)c1C,JGEPYULQSZVSBQ-UHFFFAOYSA-N,3,1,0.5,0,229,511.561,4.087,6,0.361,0.73,1.0,0.051632855870056886,0.07188506613665958,0.04187512850387225,0.08889897882256186,0.06357300733328765
EOS-3-56424,Cc1nccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)n1,NNZGHHJGPCBXOL-UHFFFAOYSA-N,3,1,0.636,90,281,384.802,3.304,4,0.525,0.85,1.0,0.8468747858268796,0.7511651017750668,0.632247618394901,0.6547272291138373,0.7212536837776711
EOS-3-56425,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Br)c4)n23)cc1-c1ccnnc1F,FYGULGSQUZTBID-UHFFFAOYSA-N,3,1,0.547,37,429,510.302,4.306,5,0.336,0.62,1.0,0.9583304776917277,0.9481786717839764,0.8249006236721267,0.8189209101500925,0.8875826708244808
EOS-3-56426,N#Cc1cc(Cc2cncc3nnc(-c4ccc(C(=O)NCCCBr)c(F)c4)n23)ccc1F,RWUUTEGJFJZHBP-UHFFFAOYSA-N,3,1,0.416,0,685,511.33,4.047,4,0.299,0.83,1.0,0.3811424850935508,0.4160869714207388,0.7252587211294633,0.7277345624014804,0.5625556850113084
EOS-3-56427,Clc1cncc2nnc(-c3ccc(-c4ccnc(-c5cccnc5)n4)cc3)n12,ZNJKXHSXZMEQMY-UHFFFAOYSA-N,3,1,0.548,42,856,385.818,3.964,5,0.467,0.82,1.0,0.26960969090535264,0.3447416215475293,0.5708656020834761,0.6345092865465013,0.45493155027071486
EOS-3-56428,Cn1ccc(COc2cncc3nnc(-c4cccc(-c5cncn5C)c4)n23)n1,YIAIBSXPXKBIIF-UHFFFAOYSA-N,3,1,0.461,36,506,386.419,2.504,5,0.461,0.73,1.0,0.19081111644164211,0.15325371804537044,0.2782108834212871,0.19647385374545953,0.2046873929134398
EOS-3-56429,O=C(NCCN1CCOCC1)c1ccc(-c2nnc3cncc(OCc4ncc(F)cc4Cl)n23)nc1,NQKZMXWGLDSUML-UHFFFAOYSA-N,3,1,0.388,63,457,512.933,2.015,5,0.378,0.77,0.763,0.24564800219313276,0.03822561853197176,0.009860530463984649,0.040401617435405386,0.08353394215612364
EOS-3-56430,Cn1cc(C#N)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3)n12,VOXPYHZXWZINOY-UHFFFAOYSA-N,3,1,0.358,63,437,384.403,1.956,5,0.575,0.86,1.0,0.13550304982523473,0.07543177301076005,0.06532280172709204,0.09666917963127955,0.0932317010485916
EOS-3-56431,Cn1nnnc1-c1ccc(-c2cncc3nnc(-c4cccnc4OCCc4ccc(Cl)nc4)n23)cc1,KCVBFOFJNQRNDP-UHFFFAOYSA-N,3,1,0.346,25,213,510.949,3.714,6,0.296,0.75,1.0,0.4186913165650058,0.4385408813652251,0.24908333904461655,0.2789904735796039,0.3463265026386128
EOS-3-56432,Cn1nnc(-c2ccc(-c3nnc4cncc(COc5ccncc5)n34)cc2)n1,FASYCVBCBCCOES-UHFFFAOYSA-N,3,1,0.436,36,447,385.391,1.956,5,0.452,0.83,1.0,0.23758652594064836,0.1417654718662189,0.1356486875471181,0.11414570625728189,0.15728659790281682
EOS-3-56433,Cc1cc(-c2nnc3cncc(Cc4ccc(OC(F)F)c(F)c4)n23)ccn1,BTPGGZUFXAPBRH-UHFFFAOYSA-N,3,1,0.438,66,225,385.349,3.826,4,0.523,0.84,0.999,0.7733620039750532,0.7684702899047358,0.9530960866287438,0.92474813241039,0.8549191282297306
EOS-3-56434,Clc1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)cc1,ZLACGFQBWCVICM-UHFFFAOYSA-N,3,1,0.476,96,274,385.818,3.964,5,0.467,0.81,1.0,0.3149801247344253,0.5557364128572407,0.6669008292783223,0.7515591803166335,0.5722941367966554
EOS-3-56435,Cn1cc(-c2cnc(COc3cncc4nnc(-c5ccncn5)n34)nc2)cn1,JHGQKRBEOQKJLN-UHFFFAOYSA-N,3,1,0.378,51,435,386.379,1.351,5,0.44,0.7,1.0,0.2856641080117881,0.11710129531903228,0.08775957782194503,0.056241861421424164,0.1366917106435474
EOS-3-56436,CON(OC)C(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnn5)s4)n23)cc1F,CQSVXEPMAAJNLR-UHFFFAOYSA-N,3,1,0.459,36,677,509.483,2.383,5,0.284,0.58,0.885,0.5407185936536221,0.5055685011308341,0.18270680556507435,0.0947416215475293,0.330933880474265
EOS-3-56437,Cc1cc(-c2ncnnc2-c2nnc3cncc(-c4ccc(CO)cc4)n23)on1,PRDUGUAXUAZVRY-UHFFFAOYSA-N,3,1,0.28,50,336,386.375,2.099,5,0.494,0.7,1.0,0.08853060105544514,0.07189363306147625,0.14478102940168597,0.17205811801795629,0.1193158453841409
EOS-3-56438,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ncc(Cl)s5)n4)n23)nc1,ULQTWVLHAOCRMZ-UHFFFAOYSA-N,3,1,0.4,33,53,510.942,3.478,5,0.353,0.61,0.995,0.5173994243026523,0.41609553834555546,0.15694606264135427,0.14808786238091975,0.3096322219176204
EOS-3-56439,CC(c1ccc(Cl)cn1)c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,ZBYKDIAWZSVKCY-UHFFFAOYSA-N,3,1,0.431,68,455,386.793,4.324,4,0.522,0.69,0.979,0.3324566513604277,0.49636762387773287,0.9337862380919745,0.8966229182372696,0.6648083578918511
EOS-3-56440,O=C(NCC(F)F)c1nnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cn2)s1,MYBROZCWKNPYEH-UHFFFAOYSA-N,3,1,0.442,65,658,510.49,2.111,5,0.313,0.62,0.987,0.36734973613871563,0.25919231032828455,0.043331505722705776,0.03579261188403811,0.176416541018436
EOS-3-56441,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(-c3ccc(-c4cnnn4-c4cncs4)cn3)n12,QKZDOOMKHHVERM-UHFFFAOYSA-N,3,1,0.293,32,572,509.49,3.747,7,0.337,0.52,1.0,0.07143958604619285,0.16467342882598862,0.29281749023370574,0.33452984716606127,0.21586508806798713
EOS-3-56442,Cc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4cccc(F)c4)nc3)n12,OMGUYDQHYHPFCC-UHFFFAOYSA-N,3,1,0.395,96,336,385.406,3.701,5,0.473,0.85,1.0,0.10057569734768007,0.22885682955246384,0.5510246042080734,0.5710883421287095,0.3628863683092317
EOS-3-56443,Cc1ncc(-c2nc(COc3cncc4nnc(-c5ccc(-c6ccc(F)nc6)cc5)n34)cnc2F)nn1,PAVXRVMAKZVBKT-UHFFFAOYSA-N,3,1,0.414,40,355,510.468,3.661,6,0.306,0.64,0.999,0.6439500376944692,0.6757161949146734,0.38922109519566855,0.39232232197930234,0.5253024124460284
EOS-3-56444,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)cc1F,HMXZLBFURRMLLS-UHFFFAOYSA-N,3,1,0.377,90,413,383.774,2.4,4,0.583,0.87,1.0,0.28567267493660475,0.3347097525872113,0.3855458844493181,0.4141936810362552,0.35503049825234734
EOS-3-56445,Fc1cnccc1-c1ccc(-c2cncc3nnc(-c4ccccc4F)n23)nc1,WLTAJGKAUAHCMP-UHFFFAOYSA-N,3,1,0.456,96,680,386.365,4.194,5,0.465,0.78,1.0,0.3174559660064423,0.49144164210814884,0.8837639640874512,0.9108354465081214,0.650874254677541
EOS-3-56446,COc1nc(-c2cccc3cnccc23)ccc1-c1cncc2nnc(-c3nccnc3-c3cccnc3)n12,MGOQVSNFXNLKSX-UHFFFAOYSA-N,3,1,0.25,64,327,509.533,4.929,7,0.318,0.65,0.989,0.3443646768555959,0.1570402988143376,0.3817850044548009,0.3893238982934686,0.31812846960455077
EOS-3-56447,Cn1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cn2)nc1Cc1ccccc1,XVAOGNSJLJVJLH-UHFFFAOYSA-N,3,1,0.474,28,363,509.961,4.2,6,0.315,0.66,0.655,0.4304280035638407,0.5417551915564389,0.2167089301624289,0.27605201836748683,0.36623603591254883
EOS-3-56448,CC#Cc1ccc(Oc2cncc3nnc(-c4ccc(C(=O)NC)cc4)n23)nc1,SPILMGPYSLATBM-UHFFFAOYSA-N,3,1,0.425,89,310,384.399,2.71,4,0.544,0.9,1.0,0.6156106504009321,0.2492032759920499,0.48601877869919813,0.26422109519566855,0.4037634500719621
EOS-3-56449,NC(=O)c1ccc(-c2nnc3cncc(-c4nnn(-c5cnccn5)n4)n23)cc1,VOXBMIGQQAXOAR-UHFFFAOYSA-N,3,1,0.372,50,927,385.351,0.323,5,0.46,0.81,1.0,0.013338701939551778,0.010622986772668083,0.01434959906791858,0.009277979576451238,0.01189731683914742
EOS-3-56450,Clc1ccc(-c2nnc3cncc(OCc4ccc(Oc5ccncc5Br)nc4)n23)cc1,PSSXYGVCQOHJJC-UHFFFAOYSA-N,3,1,0.62,97,232,509.751,5.369,5,0.304,0.76,1.0,0.9214841340552395,0.95040607223631,0.8305376602014941,0.8039373586457406,0.8765913062846961
EOS-3-56451,COc1cc(-c2cnc(C)nn2)ccc1-c1cncc2nnc(-c3ccc(C(=O)NC4(C)CC4)c(F)c3)n12,AGQDAVBHLSVLBG-UHFFFAOYSA-N,3,1,0.308,52,269,510.533,4.049,6,0.363,0.61,1.0,0.3988674525392365,0.3782211637310671,0.2237852100609965,0.24039647728051539,0.3103175759029539
EOS-3-56452,Cc1cc(-c2nnc3cncc(Cc4ccc(C(F)F)nc4)n23)ccc1Cl,YACRZRVKQODNNK-UHFFFAOYSA-N,3,1,0.38,66,225,385.805,4.677,4,0.512,0.84,0.998,0.494688506613666,0.6226612295250497,0.9579706668494278,0.9496778836268933,0.7562495716537592
EOS-3-56453,CC(F)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cn1,JKKWXDUOKSFRJV-UHFFFAOYSA-N,3,1,0.53,68,555,386.337,3.469,4,0.489,0.7,1.0,0.8648995956411486,0.8589969844424645,0.8955777534096361,0.8127784250565417,0.8580631896374478
EOS-3-56454,Cc1ncc(-c2nnc3cncc(OCc4cnc(-n5cccn5)nc4)n23)cn1,ZCZUDCAOWPDSQU-UHFFFAOYSA-N,3,1,0.447,51,48,386.379,1.444,5,0.441,0.73,1.0,0.25605681584538414,0.12414330751833322,0.044899252964155985,0.02503255431430334,0.11253298266054416
EOS-3-56455,Clc1ccccc1-c1cncc2nnc(-c3cnc(-c4ccccn4)cn3)n12,QIAHQZIOJBSPIK-UHFFFAOYSA-N,3,1,0.386,10,72,385.818,3.964,5,0.467,0.78,1.0,0.19340689466109245,0.33471831951202796,0.5067336029059009,0.6604328010417381,0.4238229045301898
EOS-3-56456,Fc1cc(-c2nnc3cncc(OCc4cc(-c5cc(F)c(F)c(F)c5F)ccn4)n23)ccc1Cl,INHGDWWDAAMVHL-UHFFFAOYSA-N,3,1,0.566,88,13,503.818,5.781,5,0.173,0.61,1.0,0.9241313138235899,0.9793108765677473,0.9946885066136659,0.9966417654718662,0.9736931156192173
EOS-3-56457,Cc1ncc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)cn1,FHUIJSDHAFZPJX-UHFFFAOYSA-N,3,1,0.623,90,811,384.802,3.304,4,0.525,0.79,1.0,0.7932629703241725,0.8893410321431019,0.6753221163731067,0.6979473648139264,0.7639683709135768
EOS-3-56458,Cc1cc(C#N)ccc1-c1nnc2cncc(C3Cc4cc(F)cc(F)c4C3)n12,QEULRYNETMENCI-UHFFFAOYSA-N,3,1,0.404,90,646,387.393,4.132,5,0.519,0.6,0.98,0.41637824686450553,0.509672058118018,0.9499605921458433,0.9554519909533274,0.7078657220204235
EOS-3-56459,Clc1ccc(-c2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)cn1,AEWKKUUFOQIQMJ-UHFFFAOYSA-N,3,1,0.347,96,725,385.818,3.964,5,0.437,0.81,1.0,0.30185559591529026,0.43854944829004183,0.7331659927352477,0.7765146323075869,0.5625214173120416
EOS-3-56460,Cn1ncc(-c2cncc(COc3cncc4nnc(-c5cnccn5)n34)n2)n1,JLTLSVAFHNBUHX-UHFFFAOYSA-N,3,1,0.36,7,828,387.367,0.746,5,0.425,0.58,0.972,0.2319837571105476,0.06808991844287575,0.02138304434240285,0.014101158248235213,0.08388946953601535
EOS-3-56461,Cc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,PWTMZPSTJROIBN-UHFFFAOYSA-N,3,1,0.757,90,811,384.802,3.304,4,0.525,0.78,1.0,0.8832499485984511,0.8969570283051196,0.7045952984716606,0.7034558974710438,0.7970645432115687
EOS-3-56462,COc1cnc(-c2cncc3nnc(-c4ccc(-c5ncnn5C)cc4)n23)cn1,CASMWDPLVIWCIN-UHFFFAOYSA-N,3,1,0.382,50,882,385.391,2.052,5,0.462,0.77,1.0,0.22086388869851278,0.1140857377835652,0.1268076211363169,0.08349324926324446,0.13631262422040982
EOS-3-56463,CCCn1nnnc1-c1cncc2nnc(-c3cnc(-c4cncnc4)nc3)n12,XCOKGXVUMIXGPJ-UHFFFAOYSA-N,3,1,0.257,50,489,386.383,1.102,5,0.431,0.68,1.0,0.04998800630525666,0.032185936536220955,0.0022616681516003014,0.0019361250085669249,0.021592934000411207
EOS-3-56464,Cc1ncc(Cc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)cn1,OQGSLCDBIWMABN-UHFFFAOYSA-N,3,1,0.357,85,976,386.444,2.999,5,0.468,0.66,1.0,0.1162703036118155,0.1532622849701871,0.16018436022205468,0.13623980535946817,0.14148918854088136
EOS-3-56465,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5nc[nH]n5)c4)n23)n1,IQZAZAMEDKCIHD-UHFFFAOYSA-N,3,1,0.432,7,36,386.379,1.649,5,0.478,0.66,1.0,0.3557415530121308,0.2746127749982866,0.0783188266739771,0.05083613186210678,0.18987732163662532
EOS-3-56466,Cc1cc(N=c2nc(-c3ccccc3)cc(-c3nnc4cncc(OCCc5cccnn5)n34)[nH]2)nn1C,OIPRRKJMRMPRCA-UHFFFAOYSA-N,3,1,0.366,81,54,505.546,2.867,6,0.35,0.38,0.793,0.19907819888972655,0.019832430950585976,0.057578301692824345,0.037917209238571725,0.07860153519292715
EOS-3-56467,Cc1nc(Cl)cc(CCOc2cncc3nnc(-c4ccc(F)cn4)n23)n1,POBYSFARIBKPFQ-UHFFFAOYSA-N,3,1,0.427,31,473,385.79,2.699,4,0.488,0.69,1.0,0.6924816667808923,0.7283171132890138,0.2528185182646837,0.31872387087930915,0.4980852923034747
EOS-3-56468,Cn1cnnc1-c1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(-c5cccnc5)nn4)n23)cn1,QWWBXVUBCKKQQA-UHFFFAOYSA-N,3,1,0.255,70,179,510.525,3.563,7,0.338,0.54,0.738,0.08380165855664451,0.01661126721951888,0.15091494757042012,0.1802737989171407,0.10790041806593106
EOS-3-56469,Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(F)c(F)c4F)n23)cc1,VEEXZQLPHIXEGM-UHFFFAOYSA-N,3,1,0.639,23,627,388.324,4.235,4,0.298,0.78,1.0,0.9892313755054486,0.980244671372764,0.9887944623397985,0.9830203550133644,0.9853227160578438
EOS-3-56470,Clc1cc(-c2ccc(-c3nnc4cncc(-c5cncnc5)n34)cc2)ccn1,WXTFKSXXYLCYKP-UHFFFAOYSA-N,3,1,0.352,42,478,385.818,3.964,5,0.437,0.79,1.0,0.25363237612226713,0.3923137550544856,0.7758035775478035,0.8246950174765266,0.5616111815502707
EOS-3-56471,COc1cc(-c2nnc3cncc(OCc4cc(F)nc(Br)c4)n23)ccc1-c1cnnn1C,PKSZSDMLOVDOSB-UHFFFAOYSA-N,3,1,0.494,16,940,511.315,3.471,5,0.319,0.67,1.0,0.5098947981632513,0.5235676101706531,0.5544171064354739,0.42703550133644025,0.5037287540264547
EOS-3-56472,Cc1nnc(Br)cc1-c1nccnc1-c1nnc2cncc(-c3cc(F)c(F)c(CO)c3)n12,IQCQGTYZYSPCJG-UHFFFAOYSA-N,3,1,0.258,50,961,511.29,3.547,5,0.39,0.55,0.011,0.30698718388047425,0.3105767253786581,0.5836988554588445,0.617058460694949,0.45458030635323143
EOS-3-56473,Cc1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)c(F)c1,ATHCMBNSKLKLNO-UHFFFAOYSA-N,3,1,0.603,90,12,385.349,4.15,4,0.516,0.79,1.0,0.9056181892947708,0.9103899664176547,0.9505003084092934,0.909661777808238,0.9190425604824892
EOS-3-56474,CN1CCCN(C(=O)c2ccc(Cc3cncc4nnc(-c5ccc(C(F)(F)F)c(F)c5)n34)cn2)CC1,WLDBGBPGELQDLR-UHFFFAOYSA-N,3,1,0.412,66,345,513.499,3.713,5,0.387,0.86,0.999,0.2589695702830512,0.26956685628126925,0.17307758207113974,0.35366835720649714,0.2638205914604893
EOS-3-56475,Cn1ccnc1-c1nnc2cncc(OCc3cnnc(-c4cncnn4)c3)n12,OLRAMPLBHPKGNI-UHFFFAOYSA-N,3,1,0.362,92,105,387.367,0.746,5,0.425,0.56,1.0,0.1934154615859091,0.009672058118017956,0.0277568364060037,0.022496744568569666,0.06333527516962512
EOS-3-56476,Fc1cccc(CCOc2cncc3nnc(-c4ccnc(C(F)F)c4)n23)c1,XYAKOTBVCSOGNE-UHFFFAOYSA-N,3,1,0.667,48,240,385.349,3.885,4,0.504,0.76,1.0,0.9473048454526763,0.9144078541566719,0.9337948050167911,0.9051898430539373,0.9251743369200192
EOS-3-56477,COc1ccc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(-c4n[nH]c(C)n4)cc3F)n12,NDYQBBNRZWXJIJ-UHFFFAOYSA-N,3,1,0.396,81,218,510.493,3.464,6,0.339,0.6,0.991,0.5644318415461586,0.585026728805428,0.2704149818381194,0.1911109588102255,0.40274612774998286
EOS-3-56478,FC(F)(F)c1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)s5)n34)cn2)s1,GBCNITPJCQSCPP-UHFFFAOYSA-N,3,1,0.522,58,954,509.926,5.06,5,0.316,0.68,0.981,0.8516294291001302,0.9164639161126722,0.6417911726406689,0.5678757453224591,0.7444400657939826
EOS-3-56479,CCn1cnc(-c2ccc(-c3nnc4cncc(-c5ccccc5F)n34)cc2)n1,HCJROBUNAXJKKD-UHFFFAOYSA-N,3,1,0.403,61,558,385.406,3.876,5,0.469,0.83,1.0,0.2884569255020218,0.34475018847234595,0.454715235419094,0.5082670824480844,0.39904735796038654
EOS-3-56480,O=C(c1ccc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)ccn4)n23)nc1)N1CCOCC1,ODSDIWHLQPWKEJ-UHFFFAOYSA-N,3,1,0.416,49,229,512.505,2.834,6,0.316,0.79,0.985,0.13006305256665068,0.00742752381605099,0.0362723596737715,0.08350181618806113,0.06431618806113358
EOS-3-56481,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cc4)n23)cn1,NHERHMKMTMJRRH-UHFFFAOYSA-N,3,1,0.6,89,205,385.387,3.124,5,0.454,0.84,1.0,0.5486344321842231,0.38767048180385166,0.3892296621204852,0.2968096771982729,0.4055860633267082
EOS-3-56482,Cc1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)cc1F,QCQURCCBEODEBT-UHFFFAOYSA-N,3,1,0.603,90,12,385.349,4.15,4,0.516,0.79,1.0,0.7588667671852511,0.867623877732849,0.964464395860462,0.9370588033719416,0.882003461037626
EOS-3-56483,Cc1ccc(-c2nnc3cncc(Cc4cccc(C(F)F)c4F)n23)cc1F,JHFRSBOWSMVDEL-UHFFFAOYSA-N,3,1,0.385,66,225,386.352,4.906,4,0.468,0.78,0.999,0.570223082722226,0.7768316085258036,0.9931892947707491,0.9921526968679323,0.8330991707216777
EOS-3-56484,c1cnc(CCOc2cncc3nnc(-c4cncc(-c5ccon5)c4)n23)cn1,KVEUYVLCDBGHTL-UHFFFAOYSA-N,3,1,0.477,65,822,386.375,2.253,5,0.433,0.7,1.0,0.3924251250771023,0.22376807621136316,0.15695462956617093,0.14585189500376944,0.22974993146460143
EOS-3-56485,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(-n5ccnc5Cc5ccccc5)cc4)n23)cc1,WUOPJMCGCMBHTD-UHFFFAOYSA-N,3,1,0.333,62,302,511.589,5.127,7,0.321,0.86,1.0,0.09343944897539579,0.032194503461037624,0.40382770200808715,0.44894112809265985,0.2446006956342951
EOS-3-56486,Fc1cc2nc(-c3cc(COc4cncc5nnc(-c6ccc(Cl)nc6)n45)ccc3F)sc2cn1,NZECXLFXARWLFB-UHFFFAOYSA-N,3,1,0.473,59,91,507.913,5.369,6,0.29,0.62,1.0,0.8604190939620314,0.9038362689329038,0.8231187033102597,0.8500531149338634,0.8593567952847646
EOS-3-56487,Cn1cnnc1-c1cc(-c2cc(F)c(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)s2)no1,LKNALPYTRBLLEN-UHFFFAOYSA-N,3,1,0.433,46,128,509.914,4.07,6,0.327,0.58,0.999,0.36268932903844836,0.42509937632787337,0.21671749708724555,0.29997943938043997,0.32612141045850185
EOS-3-56488,CCOc1ncc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cn1,ZVSVWNBYZBCCGJ-UHFFFAOYSA-N,3,1,0.476,68,811,385.334,2.232,4,0.466,0.76,1.0,0.6183092317181824,0.5009337948050168,0.4255362894935234,0.3096429305736413,0.463605561647591
EOS-3-56489,COc1cnc(-c2ncncc2-c2nnc3cncc(-c4cnn(C)c4)n23)cn1,UHUKIUVEFJSISY-UHFFFAOYSA-N,3,1,0.291,50,489,386.379,1.447,5,0.451,0.63,1.0,0.1491073264341032,0.03220307038585429,0.07602289082311013,0.04555890617503941,0.07572304845452676
EOS-3-56490,OCc1ccc(-c2nnc3cncc(Cc4ccc(-n5ccnn5)cn4)n23)cn1,BKYZETGPYIKYDA-UHFFFAOYSA-N,3,1,0.354,85,290,385.391,1.245,5,0.48,0.71,1.0,0.036615036666438214,0.041857994654238916,0.16964224521965596,0.14586046192858612,0.0984939346172298
EOS-3-56491,CCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ncc1-c1ncc(Cl)cc1O,FKAMZVDYYJFYNJ-UHFFFAOYSA-N,3,1,0.406,65,578,509.357,4.235,5,0.321,0.52,1.0,0.5754317730107601,0.5055770680556507,0.2419899252964156,0.3313429511342608,0.4135854293742719
EOS-3-56492,Cc1cc(-c2cnc(COc3cncc4nnc(-c5nccnc5-c5ccccc5Cl)n34)nc2)n(C)n1,WJHSRDZAQTVZGX-UHFFFAOYSA-N,3,1,0.392,6,972,510.949,3.98,6,0.327,0.6,1.0,0.3903005277225687,0.4341546158590912,0.18912343225275854,0.22268864368446303,0.3090668048797204
EOS-3-56493,Cc1cc(COc2cncc3nnc(-c4cnnc(-c5ccccn5)c4)n23)on1,WTTVDHQTABANIL-UHFFFAOYSA-N,3,1,0.518,55,283,386.375,2.519,5,0.449,0.67,1.0,0.3880645603454184,0.24423445959838255,0.12980604482215063,0.10709512713316428,0.21730004797477898
EOS-3-56494,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cn(C)nc5C)n34)cn2)n(C)n1,HHMXEASLACAPKU-UHFFFAOYSA-N,3,1,0.338,50,974,385.435,2.604,5,0.474,0.73,1.0,0.06742169830717566,0.02439860187786992,0.09462168460009594,0.05625042834624083,0.060673103282845586
EOS-3-56495,N=c1ncc(-c2cccc(-c3nnc4cncc(Cc5ccsc5)n34)c2)c[nH]1,CKANBIJRZNSZGV-UHFFFAOYSA-N,3,1,0.341,14,81,385.456,3.313,5,0.496,0.71,1.0,0.1105475978342814,0.09520423548762937,0.45816770612021107,0.43005105887190737,0.2734926495785073
EOS-3-56496,Cc1ccc(-c2nnc3cncc(OCc4cnc(C#CC#N)c(F)c4)n23)cn1,LJGYJEZIFHTELE-UHFFFAOYSA-N,3,1,0.548,90,555,385.362,2.483,4,0.497,0.71,1.0,0.7531526283325337,0.7896648619011719,0.7550630525666506,0.6110873140977314,0.7272419642245218
EOS-3-56497,CCc1nc(-c2nnc3cncc(Oc4ccc(Cl)cc4)n23)ccc1-c1ccc(-c2cncn2C)cn1,IJMKOFANYGLXNR-UHFFFAOYSA-N,3,1,0.447,28,870,508.973,5.657,6,0.286,0.73,0.612,0.44401514632307587,0.4735453361661298,0.5340535261462546,0.5320231649647043,0.4959092934000411
EOS-3-56498,Cn1cc(-c2cncc(-c3nnc4cncc(OCc5ccnnc5)n34)c2)cn1,CBLMUOUOZVLLEK-UHFFFAOYSA-N,3,1,0.442,92,36,385.391,1.956,5,0.452,0.74,1.0,0.34203447330546227,0.13435508189980125,0.314783085463642,0.2345109999314646,0.2564209101500925
EOS-3-56499,c1coc(CCOc2cncc3nnc(-c4ccnc(-c5ccnnc5)c4)n23)c1,IHQCQHQIWGJFDH-UHFFFAOYSA-N,3,1,0.625,75,496,385.387,2.858,5,0.439,0.75,1.0,0.5433058049482558,0.32985230621616063,0.33335617846617777,0.28767733534370504,0.3735479062435748
EOS-3-56500,CNC(=O)c1ccc(-c2nnc3cncc(-c4nn(Cc5ccc(Cl)c(F)c5)c5ccccc45)n23)cc1,SUXJTQNFRFLORR-UHFFFAOYSA-N,3,1,0.387,62,504,511.948,5.008,6,0.351,0.79,1.0,0.3018641628401069,0.4427558083750257,0.7046038653964772,0.7224916044136797,0.5429288602563224
EOS-3-56501,Cn1nccc1-c1nnc(-c2cncc3nnc(-c4ccc(C(N)=O)cc4)n23)[nH]1,UJVNAZPSYWGUCC-UHFFFAOYSA-N,3,1,0.407,74,333,386.379,1.076,5,0.47,0.63,1.0,0.09589815639777945,0.03221163731067096,0.05581351518059077,0.03479028168048797,0.05467839764238229
EOS-3-56502,Cc1cnc(-c2nnc3cncc(-c4cc(-c5nnn(C)n5)ccc4OCc4ccnc(Cl)c4)n23)cn1,WMKOKAJHBSSNLS-UHFFFAOYSA-N,3,1,0.296,99,151,511.937,3.375,6,0.306,0.69,1.0,0.21834521280241245,0.26425536289493523,0.2454252621478994,0.24040504420533204,0.2421077205126448
EOS-3-56503,Cc1ncc(Cc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)cn1,GVJLYULAHLYJHZ-UHFFFAOYSA-N,3,1,0.357,85,976,385.456,3.604,5,0.47,0.74,1.0,0.1355116167500514,0.1343636488246179,0.27821945034610374,0.25526009183743403,0.20083870193955178
EOS-3-56504,CC(C)(C)n1nnnc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ZRMDFQYDAONUFH-UHFFFAOYSA-N,3,1,0.6,36,404,384.831,2.765,4,0.533,0.76,1.0,0.5486429991090398,0.7100866972791446,0.04672400795010623,0.050844698786923444,0.3390746007813036
EOS-3-56505,Cc1nccc(-c2ccc(-c3nnc4cncc(-c5ncc(F)cn5)n34)cc2)n1,JZFNLUAYZYIMLT-UHFFFAOYSA-N,3,1,0.342,50,856,384.378,3.153,5,0.471,0.81,1.0,0.3247549859502433,0.35915118908916455,0.3517150983482969,0.3536769241313138,0.34732454937975465
EOS-3-56506,CCn1cc(-c2cncc3nnc(-c4ccc(-c5cn(C)c(C)n5)nc4)n23)cn1,UPBRMLQSMFYCHF-UHFFFAOYSA-N,3,1,0.293,50,974,385.435,2.779,5,0.472,0.7,1.0,0.10814885888561442,0.08239668288671098,0.09236858337331232,0.05480261805222397,0.08442918579946543
EOS-3-56507,O=C(Nc1ccc(F)c(F)c1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)c(F)c1,WMWYWSYFAOPANB-UHFFFAOYSA-N,3,1,0.376,83,668,511.467,5.314,6,0.339,0.77,0.999,0.10058426427249674,0.31058529230347476,0.906826125693921,0.892356589678569,0.5525880679871154
EOS-3-56508,OCCn1cc(-c2cncc3nnc(-c4ccc(-c5ccncc5)cn4)n23)cn1,VFUQMDBUWUNXJP-UHFFFAOYSA-N,3,1,0.298,50,957,384.403,2.104,5,0.494,0.8,1.0,0.030121307655404016,0.01661983414433555,0.24543382907271605,0.25813001165101773,0.13757624563086834
EOS-3-56509,Cc1nc(-c2ccnnc2)cc(-c2cncc3nnc(-c4ccncc4F)n23)n1,LGPLEKGBCBZZSQ-UHFFFAOYSA-N,3,1,0.308,50,155,385.366,2.548,5,0.466,0.7,1.0,0.27737132478925364,0.27981289836200396,0.32937255842642726,0.34087793845521214,0.30685868000822425
EOS-3-56510,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)nc1,HVGQWWLXNWXEHQ-UHFFFAOYSA-N,3,1,0.543,90,683,383.814,3.909,4,0.522,0.84,1.0,0.8018898636145569,0.8292012199300939,0.7890223425399219,0.8127869919813584,0.8082251045164828
EOS-3-56511,Cc1cncc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)n1,NNYJHLZGFIXMAX-UHFFFAOYSA-N,3,1,0.293,50,844,385.366,2.548,5,0.466,0.67,0.996,0.2429237201014324,0.24921184291686657,0.3590483859913645,0.40420464670002054,0.31384714892742105
EOS-3-56512,OCc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccc2OC(F)F)n1,RIZDRFIHFQBCOA-UHFFFAOYSA-N,3,1,0.564,27,71,511.876,3.969,5,0.33,0.7,0.994,0.8692858611472826,0.8946610924542526,0.8249091905969433,0.7694897539579193,0.8395864745390995
EOS-3-56513,Cc1cc(Cl)nc(CCc2cncc3nnc(-c4ccc(Cl)nc4)n23)n1,IVBMQPYRNQHPJN-UHFFFAOYSA-N,3,1,0.378,68,455,386.246,3.377,4,0.395,0.72,1.0,0.29136111301487216,0.4692704406826126,0.20285621273387705,0.3764735110684669,0.3349903193749572
EOS-3-56514,Cc1ccnc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)c1,CTYFLIGNNJFPQC-UHFFFAOYSA-N,3,1,0.44,90,473,384.802,3.304,4,0.525,0.67,1.0,0.7014598039887602,0.6517373723528203,0.5743266397094099,0.6080032211637311,0.6338817593036803
EOS-3-56515,Cc1ccc(-c2nnc3cncc(-c4nccc(-c5cnc(F)cn5)n4)n23)nc1,XQZYGXHPZVJZAV-UHFFFAOYSA-N,3,1,0.286,50,852,385.366,2.548,5,0.466,0.65,0.984,0.2154581591391954,0.285072990199438,0.1696508121444726,0.19111952573504215,0.21532537180453704
EOS-3-56516,Cc1cncc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)c1,YTPGASJMEFOMNV-UHFFFAOYSA-N,3,1,0.535,90,811,384.802,3.304,4,0.491,0.74,1.0,0.7648379137824687,0.8136865190871085,0.6642022479610719,0.6662326091426222,0.7272398224933178
EOS-3-56517,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(F)cc4F)n23)cc1,LFGDPJPYUFCHDZ-UHFFFAOYSA-N,3,1,0.494,23,646,383.333,2.898,4,0.549,0.81,0.998,0.4304365704886574,0.46927900760742924,0.9172777739702557,0.8937187307244192,0.6776780206976905
EOS-3-56518,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cc4)n23)ccc1-c1ncc(Cl)cn1,NXPOLFBPMHYEJX-UHFFFAOYSA-N,3,1,0.549,41,293,510.92,5.077,6,0.305,0.7,1.0,0.9616373106709616,0.9236772668083065,0.7356332670824481,0.7305616475909807,0.8378773730381742
EOS-3-56519,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccc(C(F)(F)F)nc5F)n4)n23)cc1F,QRMGRSRVGGVRAV-UHFFFAOYSA-N,3,1,0.341,96,802,511.414,4.572,5,0.28,0.74,1.0,0.4118549105613049,0.48224076485504763,0.9568226989239943,0.8937272976492359,0.6861614179973956
EOS-3-56520,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,HWJXONKDXDXESM-UHFFFAOYSA-N,3,1,0.884,90,948,383.814,3.909,4,0.522,0.88,1.0,0.9791823726954972,0.9739993831814132,0.8519378383935302,0.8445788499760126,0.9124246110616133
EOS-3-56521,Cc1c(F)cnc(COc2cncc3nnc(-c4ncc(CO)cn4)n23)c1F,NTBDWQJDVFYMGD-UHFFFAOYSA-N,3,1,0.398,68,811,385.334,1.634,4,0.552,0.63,1.0,0.5174079912274689,0.44276437529984236,0.36306627373038175,0.31258138578575834,0.4089550065108628
EOS-3-56522,N=c1ncc(-c2nnc3cncc(-c4cnc(-c5ccnc(F)c5)cn4)n23)c[nH]1,VTEZCFQUBXJCBF-UHFFFAOYSA-N,3,1,0.316,50,845,386.354,1.652,5,0.45,0.65,1.0,0.08381022548146118,0.12046809677198272,0.30381742169830717,0.2876859022685217,0.19894541155506817
EOS-3-56523,c1cc(CCOc2cncc3nnc(-c4cc(-c5ccon5)ccn4)n23)ccn1,PQDWWOPNUTWDDK-UHFFFAOYSA-N,3,1,0.513,18,181,385.387,2.858,5,0.439,0.74,1.0,0.37432321293948323,0.13091974504831747,0.3038259886231238,0.270063737920636,0.26978317113289013
EOS-3-56524,Cc1cc(-c2nnc3cncc(OCCCOc4cccc(Cl)c4)n23)cc(-c2cc(F)cc(F)c2)n1,MPLXTHZHZOJCBT-UHFFFAOYSA-N,3,1,0.473,57,732,507.928,5.941,5,0.242,0.71,1.0,0.8604276608868481,0.8528630662737304,0.887327804811185,0.9004351997806868,0.8752634329381126
EOS-3-56525,CCc1nc(-c2nnc3cncc(OCc4nnc(C)s4)n23)ccc1-c1ccc(-c2nncn2C)nc1,GSJGOPTZMNQRSO-UHFFFAOYSA-N,3,1,0.36,71,502,511.575,3.345,6,0.314,0.64,0.854,0.1792115002398739,0.11409430470838187,0.01708244808443561,0.011351175382084846,0.08043485710369405
EOS-3-56526,CCOc1ccc(C(F)F)cc1-c1nnc2cncc(-c3cnnc(-c4cc(Cl)cnc4OC)n3)n12,BTSQDQUTHLWIIQ-UHFFFAOYSA-N,3,1,0.365,50,985,510.892,4.704,5,0.307,0.65,0.951,0.5148978822561853,0.5325114796792544,0.6833064903022411,0.6017493660475636,0.5831163045713111
EOS-3-56527,COc1nc(C(F)F)ccc1-c1cncc2nnc(-c3ccc(C(=O)NCC4CCCOC4)c(F)c3)n12,SQWVOHGFGSQFCR-UHFFFAOYSA-N,3,1,0.342,0,688,512.492,4.095,5,0.398,0.62,1.0,0.2643667329175519,0.190091494757042,0.34397916523884586,0.379668974025084,0.29452659173463097
EOS-3-56528,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccn1,UKNHGOBKJBQWNC-UHFFFAOYSA-N,3,1,0.761,90,948,383.814,3.909,4,0.522,0.84,1.0,0.9609519566856282,0.8867452539236516,0.8547906243574807,0.8445874169008293,0.8867688129668974
EOS-3-56529,Cc1cnc(-c2nnc3cncc(-c4ccc(-c5ccccc5F)nn4)n23)cn1,XJDGEMZRSBIVCN-UHFFFAOYSA-N,3,1,0.365,22,844,384.378,3.153,5,0.471,0.78,0.997,0.22087245562332944,0.30043348639572337,0.3590569529161812,0.4363306147625248,0.3291733774244397
EOS-3-56530,Cn1cnc(COc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)c1,CHSPUPSEDAWZPC-UHFFFAOYSA-N,3,1,0.471,7,181,384.403,2.561,5,0.459,0.8,1.0,0.2560653827702008,0.10144952367898019,0.21672606401206224,0.17733534370502366,0.18789407854156673
EOS-3-56531,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC6CCC(C)CC6C5)cc4F)n23)nc1,BANTYSLYYHSSOX-UHFFFAOYSA-N,3,1,0.303,0,782,513.577,3.86,6,0.444,0.7,0.995,0.12137619080254952,0.09521280241244603,0.057586868617641014,0.18028236584195736,0.1136145569186485
EOS-3-56532,CCn1cc(-c2cncc3nnc(-c4ccc(-c5cn(C)c(C)n5)cc4)n23)cn1,MPGFQNXRXOOEOZ-UHFFFAOYSA-N,3,1,0.338,50,336,384.447,3.384,5,0.475,0.79,1.0,0.08171989582619422,0.0857977520389281,0.22044410938249606,0.15080357754780344,0.13469133369885544
EOS-3-56533,COCCN=c1nc(-c2cnc(C)cn2)cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)[nH]1,KGXYUWNALMCIBR-UHFFFAOYSA-N,3,1,0.381,7,85,504.942,2.454,5,0.315,0.35,0.455,0.26437529984236857,0.10814885888561442,0.09694332122541292,0.08008361318621068,0.13738777328490165
EOS-3-56534,Cc1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cc[nH]n5)cn4)n23)cc1,OOWLLWRHCFUKDA-UHFFFAOYSA-N,3,1,0.364,14,81,385.406,3.615,5,0.511,0.65,1.0,0.3582088273593311,0.4205674730998561,0.6322561853197176,0.6316650675073675,0.5106743883215681
EOS-3-56535,Cc1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4F)n23)cc1,WVCDNJFVNKSMDB-UHFFFAOYSA-N,3,1,0.577,48,12,385.349,4.15,4,0.483,0.71,1.0,0.97503598108423,0.9182115687752724,0.9413165650058255,0.8870365293674183,0.9304001610581867
EOS-3-56536,O=C(c1ccc(-c2nnc3cncc(OCc4cnc(-c5cnc(F)cn5)cn4)n23)cc1)N1CCOCC1,NSHBIUKLBOFHOQ-UHFFFAOYSA-N,3,1,0.582,7,408,513.493,2.229,6,0.333,0.76,1.0,0.29935405386882324,0.024407168802686587,0.014906449181001988,0.031586251799054214,0.0925634809128915
EOS-3-56537,Cc1n[nH]c(-c2cccc(-c3nnc4cncc(OCc5cnccn5)n34)c2)n1,VUBWTUZTZXJCOE-UHFFFAOYSA-N,3,1,0.452,7,815,385.391,2.254,5,0.489,0.63,1.0,0.3582173942841478,0.31572544719347545,0.14771091768898637,0.11183263655678158,0.23337159893084777
EOS-3-56538,CCn1cc(-c2cncc3nnc(-c4ccc(-c5cnc(C)nn5)nc4)n23)cn1,OIFIIJFBJBMLGZ-UHFFFAOYSA-N,3,1,0.289,50,974,384.407,2.23,5,0.464,0.74,1.0,0.05486258652594065,0.029298882873003907,0.05582208210540744,0.042903159481872385,0.0457216777465561
EOS-3-56539,COc1nc(-c2ccoc2)cc(-c2cncc3nnc(-c4ccc(C)nc4)n23)n1,AOHKJUGFOQAESD-UHFFFAOYSA-N,3,1,0.354,82,514,385.387,3.22,5,0.464,0.71,1.0,0.29410252895620587,0.1343722157494346,0.22045267630731272,0.1480964293057364,0.1992559625796724
EOS-3-56540,Cc1nnc(-c2cccc(-c3cncc4nnc(-c5cccnc5OCc5ccc(F)c(F)c5)n34)n2)n1C,LOFMARGLBRXDJK-UHFFFAOYSA-N,3,1,0.429,76,750,511.496,4.209,6,0.327,0.61,0.977,0.3673583030635323,0.47355390309094647,0.38179357137961756,0.3827273661846344,0.40135828592968265
EOS-3-56541,Cn1nccc1-c1cncc(COc2cncc3nnc(-c4ccncc4)n23)c1,PMXBUQCFZQJDEA-UHFFFAOYSA-N,3,1,0.5,92,256,384.403,2.561,5,0.459,0.77,1.0,0.3420430402302789,0.11410287163319854,0.3818021383044342,0.28769446919333835,0.2814106298403125
EOS-3-56542,FC(F)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnn5)cc4Br)n23)cn1,XULZQOODLJQHJW-UHFFFAOYSA-N,3,1,0.457,27,69,512.278,3.712,5,0.336,0.65,1.0,0.7046981015694607,0.6856880954012747,0.6531337810979371,0.5807861010211774,0.6560765197724625
EOS-3-56543,Cc1cccc(-c2cncnc2-c2cncc3nnc(-c4ncc(F)cn4)n23)c1,GLJWFFCTRFCVCS-UHFFFAOYSA-N,3,1,0.261,50,261,384.378,3.153,5,0.471,0.77,0.872,0.30972859982180795,0.2642639298197519,0.3184325954355425,0.3952607771914194,0.3219214755671304
EOS-3-56544,COc1ncc(-c2cn(C)nn2)cc1-c1cncc2nnc(-c3ccccc3)n12,SQFZBQLDDHWHBW-UHFFFAOYSA-N,3,1,0.36,61,336,384.403,2.657,5,0.47,0.8,1.0,0.13800459187170172,0.09522136933726269,0.19942087588239327,0.1614094304708382,0.14851406689054897
EOS-3-56545,N=c1nc(-c2cc(Br)cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c2)nc[nH]1,ITNTWQMDKPEQJF-UHFFFAOYSA-N,3,1,0.518,59,16,511.29,3.676,5,0.372,0.57,1.0,0.7014683709135768,0.5144095675416352,0.7804896854225207,0.7566822013570009,0.6882624563086834
EOS-3-56546,COc1cnc(-c2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(Cl)c(F)c5)n34)cn2)cn1,MRMWGAWOBHSFJF-UHFFFAOYSA-N,3,1,0.307,64,449,511.908,4.568,6,0.328,0.66,0.998,0.5754403399355768,0.636942293194435,0.567644438352409,0.5837930916318278,0.5909550407785622
EOS-3-56547,Cc1nc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccc1F,CQDSBUCUSNADKA-UHFFFAOYSA-N,3,1,0.565,90,281,384.802,3.304,4,0.491,0.71,1.0,0.830177849359194,0.9422674936604757,0.5574497978205744,0.5773336303200604,0.7268071927900761
EOS-3-56548,Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccon5)c4)n23)nc1,HSUIPUBTHJEBFP-UHFFFAOYSA-N,3,1,0.57,24,912,385.387,3.124,5,0.454,0.72,1.0,0.3420516071550956,0.20855321773696114,0.3072441916249743,0.23451956685628128,0.2730921458433281
EOS-3-56549,Cc1cc(COc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)ncc1Oc1ncc(F)cn1,LDLQZHVISHWARU-UHFFFAOYSA-N,3,1,0.361,33,53,513.493,3.082,6,0.329,0.77,1.0,0.4186998834898225,0.24922040984168323,0.1047477897333973,0.07844733054622713,0.21277885340278252
EOS-3-56550,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCc4csc(-c5ccncc5)n4)n23)c(F)n1,UQTDWRNMSLQJAQ-UHFFFAOYSA-N,3,1,0.44,27,122,512.477,3.418,5,0.314,0.72,0.999,0.49469707353848263,0.5144181344664519,0.3743746144883833,0.29381982043725585,0.41932741073264346
EOS-3-56551,c1cc(-c2c[nH]nn2)cc(-c2nnc3cncc(OCCc4cnccn4)n23)c1,UHSJNIFQMGLGKI-UHFFFAOYSA-N,3,1,0.488,20,846,385.391,1.988,5,0.471,0.63,1.0,0.48003049825234734,0.3782297306558838,0.16019292714687136,0.15591803166335413,0.29359279692961415
EOS-3-56552,Cc1nn(C)cc1-c1ccc(-c2cncc3nnc(-c4ccccc4)n23)c(F)c1,WKNVNNBKMKCIDJ-UHFFFAOYSA-N,3,1,0.406,96,558,384.418,4.306,5,0.465,0.85,0.996,0.2266037283256802,0.3105938592282914,0.7331745596600644,0.7199472277431294,0.49757984373929137
EOS-3-56553,Cc1ncc(-c2nnc3cncc(-c4cc(F)cc(-c5cncnc5)c4)n23)cn1,FQNKAHXZPHZLFW-UHFFFAOYSA-N,3,1,0.308,82,478,384.378,3.153,5,0.471,0.75,1.0,0.2483465835103831,0.3347268864368446,0.5931824412308958,0.5929511342608458,0.4423017613597423
EOS-3-56554,Cc1cc(-c2ccc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)c(OC(F)F)c2)n(C)n1,QTLKAUGSCNCCJP-UHFFFAOYSA-N,3,1,0.318,30,220,510.508,5.226,6,0.303,0.7,0.695,0.327316496470427,0.37351792200671646,0.7666369679939689,0.719955794667946,0.5468567952847645
EOS-3-56555,Cn1cc(-c2cc(COc3cncc4nnc(-c5ccc(-c6cnc7ccccc7n6)cc5)n34)ncn2)cn1,FVDXSMSGKMRUAS-UHFFFAOYSA-N,3,1,0.426,40,25,512.537,4.171,7,0.323,0.72,1.0,0.37184737166746623,0.2592008772531012,0.40027242820917003,0.34728599821807965,0.34465166883695425
EOS-3-56556,CCc1nc(-c2nnc3cncc(OCc4cc(C)nc(C)c4F)n23)ccc1-c1cc(F)cnc1Cl,RELNFAVULPYDGV-UHFFFAOYSA-N,3,1,0.365,46,717,507.932,5.333,5,0.287,0.49,1.0,0.7014769378383935,0.5946302515249127,0.6807107120827908,0.6284696045507505,0.6513218764992119
EOS-3-56557,Cc1ncc(-c2ncccc2-c2nnc3cncc(-c4cc(F)ccn4)n23)cn1,JRBGBDHRLKDRRU-UHFFFAOYSA-N,3,1,0.33,50,155,384.378,3.153,5,0.471,0.75,1.0,0.22933657734219726,0.3157340141182921,0.37039956137344937,0.3983620039750531,0.328458039202248
EOS-3-56558,O=C(c1cnc(COc2cncc3nnc(-c4ncncc4-c4cccc(F)c4)n23)cn1)N1CCOCC1,AGPRQVQZMLRIAK-UHFFFAOYSA-N,3,1,0.385,7,229,513.493,2.229,6,0.333,0.75,0.948,0.17631587965184017,0.024415735727503256,0.006964909875950929,0.029667260640120624,0.059340946473853746
EOS-3-56559,CC(=O)c1ccc(-c2nnc3cncc(-c4ccn(-c5cnn(C)c5)n4)n23)cn1,UJOQBKJIYKOEAA-UHFFFAOYSA-N,3,1,0.329,50,974,385.391,1.975,5,0.435,0.65,0.999,0.01927558083750257,0.009680625042834625,0.08532657117401138,0.042911726406689055,0.03929862586525941
EOS-3-56560,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccncc5F)n34)cn2)nn1,MHZJGYPBOQFWFT-UHFFFAOYSA-N,3,1,0.346,50,844,384.378,3.153,5,0.471,0.73,0.716,0.33954149818381196,0.38302720855321776,0.45098862312384347,0.4615773421972449,0.4087836680145295
EOS-3-56561,Cn1nccc1-c1nnc2cncc(Cc3cnc(C(F)(F)F)cc3C#N)n12,DKVUVTSVFDJLDI-UHFFFAOYSA-N,3,1,0.3,68,455,384.325,2.401,4,0.538,0.66,1.0,0.12426324446576657,0.1204766636967994,0.8968028236584196,0.7791018436022206,0.4801611438558015
EOS-3-56562,COCCn1ccc(-c2nnc3cncc(-c4ccc(-c5ccoc5)cc4)n23)c1,OICQAODKKKFIHW-UHFFFAOYSA-N,3,1,0.293,82,478,385.427,4.166,5,0.439,0.75,1.0,0.14055753546706873,0.02209409910218628,0.6446867932287026,0.6110958810225482,0.35460857720512645
EOS-3-56563,Fc1cnc(-c2cccc(COc3cncc4nnc(-c5ccc(-c6cnccn6)cc5Cl)n34)n2)nc1,CIVGKOPGODOZAQ-UHFFFAOYSA-N,3,1,0.473,80,414,511.908,4.472,6,0.319,0.66,1.0,0.7473099856075663,0.8136950860119252,0.5510331711328902,0.577342197244877,0.6723451099993147
EOS-3-56564,Cc1nccc(-c2ccc(F)cc2F)c1-c1nnc2cncc(-c3ccc(-c4cncn4C(C)C)nc3)n12,SWNCBXBQLYFJCM-UHFFFAOYSA-N,3,1,0.284,42,693,508.536,5.946,6,0.286,0.61,0.502,0.2617195531492016,0.32986087314097734,0.8078952779110411,0.7413045713110822,0.5351950688780756
EOS-3-56565,Fc1ccccc1-c1ccc(-c2cncc3nnc(-c4ccccc4F)n23)nc1,UNTHFLRPASSQNL-UHFFFAOYSA-N,3,1,0.508,83,616,385.377,4.799,5,0.448,0.81,1.0,0.30699575080529096,0.5417637584812556,0.9256048248920568,0.9516568432595436,0.6815052943595368
EOS-3-56566,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ncc(F)cc4Br)n23)cc1F,IFONYZMFELJIJL-UHFFFAOYSA-N,3,1,0.506,37,353,512.318,4.249,5,0.339,0.63,1.0,0.8692944280720992,0.8360033582345281,0.6417997395654855,0.6432218490850524,0.7475798437392913
EOS-3-56567,Oc1ccc(-c2nnc3cncc(OCc4cncc(-c5c[nH]nn5)c4)n23)cc1,YYKJVDPBJQMLOK-UHFFFAOYSA-N,3,1,0.5,16,256,386.375,2.256,5,0.471,0.55,1.0,0.5783359605236105,0.3969998629292029,0.4141765471866219,0.3536854910561305,0.4357994654238914
EOS-3-56568,Cc1nc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cnc(C2(c3ccon3)CC2)nc1,OGMVDULQYNKVNQ-UHFFFAOYSA-N,3,1,0.418,80,690,509.555,4.055,7,0.31,0.52,0.994,0.3420601740799123,0.24424302652319924,0.019661092454252623,0.04416249742992256,0.16253169762182165
EOS-3-56569,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5ncon5)cc4)n23)cc1,MCPQJKIGLWPSIV-UHFFFAOYSA-N,3,1,0.606,89,230,384.399,3.729,5,0.456,0.85,1.0,0.767922006716469,0.4648841751764787,0.557458364745391,0.4767922006716469,0.5667641868274964
EOS-3-56570,Cc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4ccccc4)cc3F)n12,XJMCBVFQORFDDT-UHFFFAOYSA-N,3,1,0.414,96,558,384.418,4.306,5,0.465,0.82,1.0,0.15741724350627098,0.32086560208347614,0.694169350969776,0.7251987526557467,0.4744127373038175
EOS-3-56571,CCc1ccc(COc2cncc3nnc(-c4ccc(-c5noc(COC)n5)nc4OC(F)F)n23)nn1,IWYJOFNNPZJCEX-UHFFFAOYSA-N,3,1,0.426,92,52,511.449,2.916,5,0.271,0.62,0.999,0.48499931464601465,0.5144267013912686,0.11564491810019875,0.07464361592762662,0.2974286375162772
EOS-3-56572,CCn1nc(C)nc1-c1ccc(Oc2cncc3nnc(-c4cnc(-c5ccc(Cl)nn5)nc4)n23)nc1,MXUKNSWXQVKEQY-UHFFFAOYSA-N,3,1,0.318,99,502,512.925,3.466,6,0.323,0.75,0.992,0.32476355287506,0.42057604002467275,0.03227160578438763,0.03678637516277157,0.20359939346172298
EOS-3-56573,FC(F)n1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Br)cn4)n23)cc1,CADNERFMNASNRX-UHFFFAOYSA-N,3,1,0.581,15,922,512.318,4.829,5,0.311,0.73,1.0,0.9241398807484066,0.84967617024193,0.80000514015489,0.7385888561441984,0.8281025118223562
EOS-3-56574,Fc1ccc(-c2ccnc(-c3nnc4cncc(Oc5ccccc5)n34)c2)cn1,NHGDRPQGBQXNEK-UHFFFAOYSA-N,3,1,0.481,13,284,384.374,4.18,5,0.433,0.86,1.0,0.612877801384415,0.5466383387019396,0.733183126584881,0.7413131382358988,0.6585031012267837
EOS-3-56575,Cc1ncc(-c2nnc3cncc(-c4ccc(-c5cccnc5F)nc4)n23)cn1,BEFBWNLAJSUDCW-UHFFFAOYSA-N,3,1,0.316,82,478,384.378,3.153,5,0.441,0.78,1.0,0.2856812418614214,0.3591597560139812,0.4686793228702625,0.44585703515865943,0.3898443389760811
EOS-3-56576,CC(C)n1ncnc1-c1ccc(-c2nnc3cncc(-c4cccnn4)n23)nc1,MGHNGMSQCDEDPD-UHFFFAOYSA-N,3,1,0.265,99,286,384.407,2.483,5,0.464,0.74,0.936,0.051641422794873555,0.02210266602700295,0.0467325748749229,0.03268281817558769,0.03828987046809677
EOS-3-56577,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5ncc(O)cn5)n34)cc2)n1C,HPUTVACTXSFKFO-UHFFFAOYSA-N,3,1,0.329,50,856,384.403,2.663,5,0.509,0.68,1.0,0.1708244808443561,0.07544033993557672,0.18590226852169145,0.14586902885340278,0.14450902953875677
EOS-3-56578,COc1c[nH]c(COc2cncc3nnc(-c4ccc(-c5ccccc5Oc5ncccn5)cc4F)n23)n1,FXJHHFZMYYNEKP-UHFFFAOYSA-N,3,1,0.377,41,177,510.489,4.49,6,0.315,0.59,0.999,0.6239034336234666,0.5899612774998286,0.537471729148105,0.39526934411623604,0.5366514460969091
EOS-3-56579,O=C(O)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4F)n23)cc1,LTZZUVNSMPOKAW-UHFFFAOYSA-N,3,1,0.494,23,646,382.782,3.873,4,0.579,0.85,1.0,0.4487612226715098,0.26957542320608596,0.8873363717360017,0.870048317455966,0.6189303337673908
EOS-3-56580,CC(=O)N=c1cc(-c2nnc3cncc(OCCc4cncs4)n23)cc(-c2cnc(C(F)F)cn2)[nH]1,YACNTWCDJIMRFU-UHFFFAOYSA-N,3,1,0.448,65,359,509.502,3.039,5,0.354,0.45,0.961,0.25607394969501746,0.12415187444314989,0.28210026728805426,0.1481049962305531,0.20260777191419369
EOS-3-56581,CCc1nn(C)cc1-c1cncc2nnc(-c3ccc(-c4cc(C)[nH]n4)nc3)n12,YAZUKSBYSVEESS-UHFFFAOYSA-N,3,1,0.284,50,974,385.435,2.848,5,0.51,0.64,0.797,0.062015968747858266,0.08240524981152765,0.08034062093071072,0.06080803234870811,0.0713924679597012
EOS-3-56582,Cc1ccc(-c2nnc3cncc(OCc4ccc(-c5cocn5)cn4)n23)nc1,PRBZQDMIKBFKTL-UHFFFAOYSA-N,3,1,0.467,46,348,385.387,3.124,5,0.454,0.63,1.0,0.3880731272702351,0.2850815571242547,0.30005654170379,0.22895106572544718,0.30054057295593173
EOS-3-56583,Cc1cn(-c2ccnn2C)c(-c2ncccc2-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)n1,XLGRVKRXYQRDQP-UHFFFAOYSA-N,3,1,0.261,30,371,510.565,4.81,7,0.327,0.53,1.0,0.003940785415667192,0.009689191967651292,0.23837468302378179,0.2611884038105682,0.12829826605441713
EOS-3-56584,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Br)c4F)n23)nn1,LBZBEALBGNXZBE-UHFFFAOYSA-N,3,1,0.43,54,411,511.29,3.701,5,0.318,0.51,0.807,0.7620022616681515,0.6662754437667056,0.5867572476183949,0.6111044479473648,0.6565348502501542
EOS-3-56585,CCOc1nc(-c2nnc3cncc(OC)n23)ccc1-c1cc(F)cnc1F,DQSPKTGDABDAGY-UHFFFAOYSA-N,3,1,0.381,90,244,384.346,2.934,4,0.489,0.7,0.971,0.6807021451579741,0.5697433349324926,0.5067421698307175,0.38933246521828524,0.5366300287848673
EOS-3-56586,COc1ccccc1-c1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2)n[nH]1,OIVYTJDUHXCEQH-UHFFFAOYSA-N,3,1,0.5,12,994,511.492,5.109,6,0.318,0.74,1.0,0.9024312932629703,0.7331574258104311,0.8388561441984785,0.7742101295319033,0.8121637482009458
EOS-3-56587,COC(=O)c1ccc(-c2nnc3cncc(Cc4nnc5ncccc5c4-c4cnc(F)c(F)c4)n23)cn1,ZVDNUIGBSOANGX-UHFFFAOYSA-N,3,1,0.349,85,290,511.452,3.242,6,0.251,0.66,1.0,0.3945925570557193,0.45158830786101023,0.2928260571585224,0.284995887876088,0.356000702487835
EOS-3-56588,Cc1cnc(-c2nnc3cncc(Cc4cc(-c5nnn(C)n5)ncn4)n23)cn1,SCQBFURNLQSDBW-UHFFFAOYSA-N,3,1,0.267,31,828,386.383,0.461,5,0.428,0.53,1.0,0.03662360359125488,0.008198547049551093,0.0049431156192173255,0.00242443972311699,0.013047426495785074
EOS-3-56589,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(=O)NC6CC6)cn5)n34)c(Cl)cn2)cn1,IFDGIUODBAYYNF-UHFFFAOYSA-N,3,1,0.362,33,53,513.949,3.471,6,0.347,0.74,1.0,0.4051298745802207,0.3347354533616613,0.14183400726475223,0.17206668494277294,0.2634415050373518
EOS-3-56590,O=C(NC1CC1)c1ccc(-c2nnc3cncc(Cc4cc(C(=O)NCCCN5CCCC5)no4)n23)cc1,ASVOWCHLOOXIQL-UHFFFAOYSA-N,3,1,0.377,63,334,514.59,2.478,6,0.309,0.91,1.0,0.07538037146186005,0.00820711397436776,0.00029984236858337333,0.0006168185868000823,0.021126036597902815
EOS-3-56591,Cc1cc(Cl)ccc1-c1nnc2cncc(OCc3ccc(F)c(C)n3)n12,CXKPDEBNBUHCLB-UHFFFAOYSA-N,3,1,0.538,90,708,383.814,4.175,4,0.529,0.82,1.0,0.7903930505105887,0.892279487355219,0.7890309094647385,0.7791104105270372,0.8127034644643958
EOS-3-56592,OCc1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nc4)n23)cc1,GYVKSGNXGUUAFX-UHFFFAOYSA-N,3,1,0.685,48,12,383.358,3.195,4,0.55,0.8,1.0,0.897693783839353,0.5607566307998081,0.9238486053046399,0.8427455280652457,0.8062611370022617
EOS-3-56593,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cccc(-c4ccnc(-c5cccnn5)c4)c3)n12,SKJNPRYJKCILNA-UHFFFAOYSA-N,3,1,0.433,28,177,510.92,5.077,6,0.305,0.61,1.0,0.8018984305393736,0.7556113357549175,0.8193149886916592,0.8227588924679597,0.7998959118634775
EOS-3-56594,COCc1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cn1,MGMIUORFBXREFN-UHFFFAOYSA-N,3,1,0.506,90,555,384.346,2.585,4,0.472,0.7,1.0,0.6469912960043863,0.6710472208895895,0.722714344458913,0.6111130148721815,0.6629664690562675
EOS-3-56595,Clc1cnc(-c2ccc(Cc3cncc4nnc(-c5ccc(-c6ccnc(Cl)n6)cc5)n34)cc2)nn1,GZCBMJWCOXDMBS-UHFFFAOYSA-N,3,1,0.365,9,787,512.364,4.998,6,0.297,0.76,1.0,0.40513844150503736,0.37823829758070043,0.5964207388115962,0.6573744088821877,0.5092929716948804
EOS-3-56596,Cc1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)cnn4)n23)cn1,QTSAEYIUWUHZJW-UHFFFAOYSA-N,3,1,0.378,82,478,384.378,3.153,5,0.441,0.73,1.0,0.18504557604002467,0.3830357754780344,0.5574669316702077,0.5515557535467068,0.4192760091837434
EOS-3-56597,COc1nc(-c2cnc(C)nn2)ccc1Oc1cncc2nnc(-c3ccc(C(=O)NC4CC4)cc3F)n12,NWKMLRFUNGPAKS-UHFFFAOYSA-N,3,1,0.375,52,310,513.493,3.179,6,0.345,0.7,0.999,0.47504454800904666,0.4114865327941882,0.10475635665821396,0.08523233500102803,0.2691299431156192
EOS-3-56598,Cn1cnc(-c2ncsc2-c2nnc3cncc(-c4ccc(C#N)cc4)n23)c1,FIRGQWYHYQCAGO-UHFFFAOYSA-N,3,1,0.405,74,333,384.428,3.187,5,0.474,0.75,1.0,0.17922006716469055,0.14537214721403605,0.30725275854979095,0.37648207799328354,0.2520817627304503
EOS-3-56599,COc1ncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,LWJBWWFOSACGFT-UHFFFAOYSA-N,3,1,0.531,65,811,383.799,2.26,4,0.499,0.71,1.0,0.6267819203618669,0.5607651977246247,0.2167346309368789,0.1911280926598588,0.39885246042080735
EOS-3-56600,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(-c6ccnc(Cl)c6)n5)n34)ccn2)cc1,FAXRZDRBSWVKAV-UHFFFAOYSA-N,3,1,0.511,28,667,509.932,5.682,6,0.267,0.67,1.0,0.7014855047632101,0.7976749366047563,0.8451785347131794,0.8567181824412309,0.8002642896305942
EOS-3-56601,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccc(Br)cc6)cc5)n34)cn2)o1,XMYRYJQCDYFTKB-UHFFFAOYSA-N,3,1,0.397,69,987,509.367,6.246,6,0.28,0.75,1.0,0.2941110958810225,0.4869268727297649,0.8000137070797066,0.790564389006922,0.5929040161743541
EOS-3-56602,COc1ccc(-c2nnc3cncc(-c4ccc(-c5nccn5C)nn4)n23)cc1,NMDYQXWNWNNXFK-UHFFFAOYSA-N,3,1,0.5,74,333,384.403,2.657,5,0.47,0.69,1.0,0.15989308477828798,0.08241381673634432,0.210026728805428,0.16645534918785554,0.15469724487697895
EOS-3-56603,Cn1c(-c2ccc(F)nc2)nnc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1F,MNUDDCXSILNIBZ-UHFFFAOYSA-N,3,1,0.571,11,275,511.496,3.944,6,0.297,0.57,1.0,0.7679305736412857,0.8061219244739908,0.4105698718388047,0.43633918168734154,0.6052403879103557
EOS-3-56604,Cn1ccnc1-c1ccc(-c2nnc3cncc(-c4ccnnc4-c4ccc(-c5nncn5C)nc4)n23)cc1,YRMCDVQUQDETCB-UHFFFAOYSA-N,3,1,0.278,98,42,512.541,3.506,7,0.34,0.57,1.0,0.13281303543280104,0.018238982934685764,0.18591083544650813,0.18029093276677405,0.12931344664519223
EOS-3-56605,Cc1cccc(-c2cncc3nnc(-c4cnc(-c5cccc(F)c5)nc4)n23)n1,ZQKDWCRJUROCMD-UHFFFAOYSA-N,3,1,0.427,96,140,383.39,3.758,5,0.472,0.87,1.0,0.21012096497841135,0.3782468645055171,0.5067507367555343,0.545233363032006,0.41008798231786714
EOS-3-56606,Cc1c(Cl)cncc1COc1cncc2nnc(-c3cnc(CO)nc3)n12,ZPOVNGMYXBEYSL-UHFFFAOYSA-N,3,1,0.452,51,811,383.799,2.009,4,0.557,0.7,1.0,0.5754489068603934,0.5513073127270235,0.3000651086286067,0.2938283873620725,0.43016242889452405
EOS-3-56607,CCc1nc(-c2ccc(-c3nnc4cncc(Oc5cc(F)c(-c6ccnn6C)nn5)n34)cc2)ncc1F,DEZXGMVNAKITMC-UHFFFAOYSA-N,3,1,0.364,67,622,512.484,4.072,6,0.325,0.67,1.0,0.489865327941882,0.5189757384689192,0.27822801727092045,0.24900623672126654,0.384018830100747
EOS-3-56608,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1nnc(-c2cccnn2)nn1,PSQPBLKLYPLOTN-UHFFFAOYSA-N,3,1,0.523,71,218,513.884,3.262,6,0.323,0.72,0.995,0.8147745185388253,0.9513141662668768,0.1859194023713248,0.312589952710575,0.5661495099719005
EOS-3-56609,Cc1ccccc1-c1cn(C)nc1-c1cncc2nnc(-c3ccccc3F)n12,UOIQTAILGUJAJP-UHFFFAOYSA-N,3,1,0.446,96,616,384.418,4.306,5,0.465,0.79,1.0,0.11627887053663218,0.3591683229387979,0.6589678568980879,0.7034644643958604,0.45946987869234457
EOS-3-56610,Fc1ccc(-c2cc(-c3nnc4cncc(Cc5ccnnc5)n34)ccn2)cc1,JPWDJUPUOTZMCJ-UHFFFAOYSA-N,3,1,0.38,14,81,383.39,3.373,5,0.473,0.8,1.0,0.38115105201836746,0.38304434240285107,0.6696850798437393,0.7119885545884449,0.5364672572133506
EOS-3-56611,CCc1ncc(Cc2cncc3nnc(-c4cnc(-n5cccn5)nc4)n23)cn1,CRVRJHVWGQCMRV-UHFFFAOYSA-N,3,1,0.286,65,976,384.407,1.71,5,0.45,0.68,1.0,0.0035724076485504764,0.003221163731067096,0.01794770749091906,0.011359742306901515,0.009025255294359536
EOS-3-56612,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5nc(-c6ncccn6)c(F)cc5Cl)n34)cn2)cn1,ZLGAFWKXVJRTOW-UHFFFAOYSA-N,3,1,0.351,80,34,512.896,4.389,6,0.328,0.69,1.0,0.7531611952573504,0.7976835035295731,0.3630748406551984,0.3472945651428963,0.5653035261462546
EOS-3-56613,N#Cc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cn4)n23)cc1,NOMLTVSUPJQBTC-UHFFFAOYSA-N,3,1,0.35,63,825,381.399,2.617,5,0.582,0.95,1.0,0.1491158933589199,0.1381159618943184,0.25282708518950037,0.35688952093756426,0.22423711534507573
EOS-3-56614,Cc1ncc(-c2ncncc2-c2nnc3cncc(-c4cn(C)nc4C)n23)cn1,QWIMXMLYDZBLDK-UHFFFAOYSA-N,3,1,0.272,50,489,384.407,2.056,5,0.464,0.66,0.684,0.03390788842437119,0.0043348639572339115,0.061604756356658213,0.040410184360222055,0.035064423274621344
EOS-3-56615,COc1cc(COc2cncc3nnc(-c4ccc(-c5cc(=O)n(C)cn5)cc4Cl)n23)c(F)c(F)n1,MYLSVSZQCLZHAD-UHFFFAOYSA-N,3,1,0.423,59,772,511.876,3.466,5,0.319,0.56,1.0,0.6322304845452676,0.6517459392776369,0.7505225824138168,0.6690768281817558,0.6758939586046193
EOS-3-56616,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4nnn(-c5ccccc5)n4)n23)cc1,FJSXPEHXURBHOP-UHFFFAOYSA-N,3,1,0.453,61,973,385.347,2.342,5,0.34,0.79,1.0,0.062024535672674935,0.018247549859502433,0.06533136865190871,0.03159481872387088,0.04429956822698924
EOS-3-56617,CC(C)(C)OC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nnc(F)s5)cc(F)c4F)n23)cc1,ZCOWMUXKRPBLRW-UHFFFAOYSA-N,3,1,0.341,61,124,510.501,5.349,5,0.301,0.66,0.998,0.39460112398053593,0.5055856349804674,0.8019241313138236,0.6374991433075183,0.5849025083955863
EOS-3-56618,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCN(C(C)=O)CC5)nc4)n23)cc1F,DCHNWIFCMSCQMC-UHFFFAOYSA-N,3,1,0.324,0,829,516.537,2.046,5,0.43,0.83,1.0,0.0694863271879926,0.07190219998629292,0.0017133849633335619,0.001747652662600233,0.03621239120005483
EOS-3-56619,COc1nc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)ccc1-c1ncc(Cl)cn1,UOHWXAVJKUROLL-UHFFFAOYSA-N,3,1,0.479,49,896,512.332,4.719,5,0.309,0.66,1.0,0.8960146665752862,0.7896734288259887,0.6385186073607018,0.6573829758070043,0.7453974196422452
EOS-3-56620,O=C(c1ccc(-c2cncc3nnc(-c4cc(F)c(-c5cccnn5)cn4)n23)nn1)N1CCCC1CCO,VNNLIFHSMYOMFJ-UHFFFAOYSA-N,3,1,0.283,52,546,512.509,2.226,6,0.359,0.54,0.937,0.06743026523199232,0.07191076691110959,0.007367555342334316,0.04417106435473922,0.04771991296004386
EOS-3-56621,O=C(NC1Cc2ccccc2C1)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)cn4)n23)cc1,DZLMDEKSQDZVSR-UHFFFAOYSA-N,3,1,0.41,62,319,514.511,4.693,6,0.368,0.84,1.0,0.30973716674662466,0.339695702830512,0.9481358371598931,0.8991672949078199,0.6241840004112124
EOS-3-56622,OCc1ccnc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)n1,YKEDIUFWAPCXID-UHFFFAOYSA-N,3,1,0.271,86,953,383.375,1.593,5,0.492,0.76,1.0,0.17922863408950723,0.07893564526077719,0.05583064903022411,0.0726817901446097,0.09666917963127955
EOS-3-56623,Cc1cnc(-c2nc(C)ncc2-c2nnc3cncc(Br)n23)nc1,GJZAYTQLXSGOFR-UHFFFAOYSA-N,3,1,0.476,68,489,383.213,2.418,4,0.525,0.7,1.0,0.1792372010143239,0.1646819957508053,0.025580837502570078,0.031603385648687546,0.10027585497909669
EOS-3-56624,Cc1cnc(-c2cncc(-c3nnc4cncc(Oc5cncnc5)n34)c2)nc1,DXVUYZHKBRTTHZ-UHFFFAOYSA-N,3,1,0.386,2,131,383.375,2.534,5,0.461,0.77,1.0,0.4652182852443287,0.3208741690082928,0.192567336029059,0.15322801727092042,0.2829719518881502
EOS-3-56625,O=C(c1ccc(-c2cncc3nnc(-c4cncnc4-c4cccc(C(F)F)n4)n23)cc1)N1CCOCC1,RRYNPUBRGGLOPF-UHFFFAOYSA-N,3,1,0.398,52,229,514.496,3.72,6,0.349,0.75,0.977,0.0440168597080392,0.03222020423548763,0.0877681447467617,0.17207525186758962,0.08402011513946954
EOS-3-56626,Clc1ccc(OCc2nnc(-c3cn(-c4ccc(Br)cc4)nn3)o2)cc1,PAHAVUQCJDRMQQ-UHFFFAOYSA-N,3,0,0.224,34,612,432.665,4.312,4,0.467,0.95,1.0,0.04105270372147214,0.0035552737989171406,0.6208107737646494,0.6779692961414571,0.3358470118566239
EOS-3-56627,Cc1cccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5)cn4)n23)n1,ZLAOYLQBCRKFLR-UHFFFAOYSA-N,3,1,0.359,10,837,383.39,3.758,5,0.472,0.81,1.0,0.15464155986567063,0.3004420533205401,0.5173737235282023,0.5678843122472758,0.3850854122404222
EOS-3-56628,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ncc(F)c(Cl)n1,QVEJZBOXRICOMF-UHFFFAOYSA-N,3,1,0.376,31,602,512.336,4.063,5,0.298,0.6,0.665,0.7876087999451716,0.7684788568295524,0.19257590295387567,0.29082996367623876,0.5098733808512096
EOS-3-56629,Cc1ncc(Cc2cncc3nnc(-c4ccc(-c5ccn(C)n5)cn4)n23)cn1,FHJSPHUTLSUFEH-UHFFFAOYSA-N,3,1,0.305,85,976,383.419,2.276,5,0.469,0.77,0.999,0.03391645534918786,0.022111232951819614,0.12981461174696732,0.08890754574737852,0.06868746144883833
EOS-3-56630,FC(F)OCCn1nc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1cccc(Cl)c1,YCAVLVZFNUZOGL-UHFFFAOYSA-N,3,1,0.49,95,493,511.92,4.564,5,0.271,0.7,0.402,0.4210643547392228,0.4114950997190049,0.6969793023096429,0.7413217051607155,0.5677151154821465
EOS-3-56631,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4ccc(-c5ccon5)cn4)n23)cc1,LGZKUDIYTJBZLZ-UHFFFAOYSA-N,3,1,0.486,38,139,385.343,3.417,5,0.34,0.8,1.0,0.15742581043108766,0.024424302652319922,0.3555445137413474,0.18846377904187514,0.18146460146665752
EOS-3-56632,Fc1ccc(-c2ncncc2COc2cncc3nnc(-c4cncc(-c5ccnc(Cl)c5)c4)n23)cc1,VRYRXJHBJPRWLD-UHFFFAOYSA-N,3,1,0.458,41,78,510.92,5.077,6,0.286,0.61,1.0,0.8538739634020972,0.8360119251593447,0.8159139195394421,0.8349153587828113,0.8351787917209239
EOS-3-56633,COCc1cc(-c2nnc3cncc(Cl)n23)cc(-c2noc(C3CC3)n2)n1,XUKHXJBOPGGFIX-UHFFFAOYSA-N,3,1,0.455,78,5,383.799,2.914,5,0.518,0.7,1.0,0.21275101089712836,0.2642724967445686,0.010383112877801384,0.05481118497704064,0.13555445137413474
EOS-3-56634,Clc1cc(-c2nnc3cncc(OCc4csc(-c5cscn5)n4)n23)ccc1-c1cscn1,CWMXWIPFUFFVFG-UHFFFAOYSA-N,3,1,0.566,28,120,510.029,5.727,6,0.283,0.72,1.0,0.5869285861147283,0.6906397779453087,0.3439877321636625,0.40421321362483725,0.5064423274621342
EOS-3-56635,NC(=O)c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc1,KVYSNSXJKAQCLE-UHFFFAOYSA-N,3,1,0.598,90,555,382.33,2.142,4,0.53,0.81,1.0,0.806995750805291,0.3254489068603934,0.7020680556507436,0.5773507641696937,0.6029658693715304
EOS-3-56636,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4cnc(F)s4)n23)nn1,LFLZIEFVKYOTDI-UHFFFAOYSA-N,3,1,0.283,63,66,382.384,1.736,5,0.572,0.77,0.999,0.12138475772736619,0.1608440134329381,0.008130011651017751,0.021674319786169557,0.0780082756493729
EOS-3-56637,Cn1nc(-c2ccccc2)nc1-c1cncc2nnc(-c3ccc(C(=O)NC4CCC(F)(F)CC4)cc3)n12,QVVSYIWXCUYGFF-UHFFFAOYSA-N,3,1,0.323,52,302,514.54,4.562,6,0.369,0.85,1.0,0.17083304776917277,0.1686399150161058,0.14478959632650265,0.2850044548009047,0.1923167534781715
EOS-3-56638,O=C(Nc1cccc(F)c1)c1ccc(-c2nnc3cncc(-c4nnc(-c5ccc(Cl)nc5)[nH]4)n23)cc1,DBEMOPKJUKTLDN-UHFFFAOYSA-N,3,1,0.465,3,504,511.908,4.683,6,0.322,0.63,0.958,0.11055616475909807,0.32088273593310945,0.6238263313001166,0.6462631073949695,0.4253820848468234
EOS-3-56639,Cc1cc(-c2ccc(-c3nnc4cncc(-c5ccncc5F)n34)nc2)ccn1,SBSLRNRXPRSRGN-UHFFFAOYSA-N,3,1,0.316,82,957,383.39,3.758,5,0.472,0.79,1.0,0.26172812007401824,0.3208913028579261,0.6833150572270578,0.67495373860599,0.485222054691248
EOS-3-56640,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6nnc(Cl)s6)cc5F)n34)cn2)nc1,JEBQJHJBAKGDPW-UHFFFAOYSA-N,3,1,0.337,32,693,511.933,5.098,6,0.321,0.67,0.995,0.24293228702624906,0.442772942224659,0.7096155164142279,0.7593036803509012,0.5386561065040093
EOS-3-56641,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5cccnc5)n34)ncn2)cn1,YYANVXPOYAYXTB-UHFFFAOYSA-N,3,1,0.341,7,296,383.375,2.534,5,0.461,0.78,0.999,0.4346086628743746,0.17731820985539032,0.15092351449523678,0.12558255088753342,0.22210823452813377
EOS-3-56642,N#Cc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4)n23)cn1,FPPWCWPPBRNMEJ-UHFFFAOYSA-N,3,1,0.358,0,862,381.399,2.617,5,0.582,0.89,1.0,0.18505414296484135,0.10461071893633062,0.2964327325063395,0.3408865053800288,0.23174602494688507
EOS-3-56643,CCc1cc(-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)nc(C)c1F,QFAIUKDYLDJMAI-UHFFFAOYSA-N,3,1,0.323,68,364,383.818,3.23,4,0.503,0.66,0.999,0.312461448838325,0.28509012404907136,0.3590655198409979,0.3668528544993489,0.3308674868069358
EOS-3-56644,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(-c5ccnn5-c5ccccc5)cc4)n23)cc1,IPYGRXHVHTZPSL-UHFFFAOYSA-N,3,1,0.5,12,285,510.561,5.837,7,0.279,0.7,1.0,0.41870845041463917,0.2695839901309026,0.6352289082311013,0.5929597011856624,0.4791202624905764
EOS-3-56645,NC(=O)c1n[nH]c(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)n1,ZRMDUDJFDJQUCM-UHFFFAOYSA-N,3,1,0.358,50,432,384.363,1.132,5,0.467,0.67,0.996,0.11056473168391474,0.11710986224384895,0.014915016105818656,0.014769378383935303,0.06433974710437941
EOS-3-56646,Cc1cnnc(-c2cc(-c3nnc4cncc(OCCN)n34)cc(Cl)n2)n1,MFPNBWRDSCQMRJ-UHFFFAOYSA-N,3,1,0.43,31,105,383.803,1.338,4,0.507,0.61,0.98,0.38348125556850116,0.25414639161126723,0.037540264546638336,0.05778390788842437,0.18323795490370776
EOS-3-56647,N#Cc1nc(Cc2cncc3nnc(-c4ccc(Cl)cc4F)n23)ccc1F,RTPOFUFGLZSPEW-UHFFFAOYSA-N,3,1,0.407,23,225,382.761,3.58,4,0.541,0.74,1.0,0.46990439311904597,0.7192019052840792,0.9132427523816051,0.9436296347063258,0.761494671372764
EOS-3-56648,Cc1cc(-c2cncnc2-c2ccnc(F)c2)cc(C(=O)NCc2ccc(F)c(F)c2)n1,KXLUWWMGDLGYRB-UHFFFAOYSA-N,3,0,0.315,14,358,435.409,4.256,4,0.474,0.86,1.0,0.1879925981769584,0.0003426769926667124,0.9238571722294565,0.8567267493660475,0.4922297991912823
EOS-3-56649,OCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)nc1,IGZBETKUMYCRKO-UHFFFAOYSA-N,3,1,0.506,90,457,382.811,2.348,4,0.511,0.79,1.0,0.6529538756767871,0.579715235419094,0.492572476183949,0.47680076759646356,0.5505105887190733
EOS-3-56650,FC(F)(F)Cc1cnc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c2)nc1,DURWEFWMHXPYPN-UHFFFAOYSA-N,3,1,0.568,19,73,512.883,4.418,5,0.316,0.66,1.0,0.809651497498458,0.8496847371667466,0.8608474402028647,0.834923925707628,0.8387769001439243
EOS-3-56651,CC1(n2cc(-c3cncc4nnc(-c5ccc(-c6ncon6)cc5)n34)nn2)CC1,JKJMGBYKBZYAML-UHFFFAOYSA-N,3,1,0.324,50,974,385.391,2.609,6,0.464,0.56,1.0,0.10059283119731341,0.07191933383592626,0.009080940305667877,0.040418751285038725,0.05550296415598657
EOS-3-56652,c1ccc(-c2ccc(-c3nnc4cncc(OCc5cnncn5)n34)cn2)nc1,RBEKGKIBPMLWCI-UHFFFAOYSA-N,3,1,0.477,24,786,383.375,2.012,5,0.449,0.73,1.0,0.39243369200191897,0.3638544308135152,0.16344835857720513,0.14811356315536975,0.26696251113700226
EOS-3-56653,NC(=O)c1ccc(-c2nnc3cncc(COc4ccc(F)c(F)c4)n23)cc1,CUTWGXHITKYQHE-UHFFFAOYSA-N,3,1,0.541,48,646,381.342,2.747,4,0.574,0.85,1.0,0.8096600644232747,0.6135888561441984,0.8305462271263108,0.7593122472757179,0.7532768487423753
EOS-3-56654,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4ccnnc4)n23)cc1,PFDDYGMTAZANAW-UHFFFAOYSA-N,3,1,0.361,66,999,381.346,2.243,4,0.569,0.87,1.0,0.2266122952504969,0.11711842916866562,0.6293434308820506,0.5117452539236516,0.37120485230621614
EOS-3-56655,Cc1cncc2nnc(-c3cnc(CC(F)F)nc3-c3ccc(CO)cc3)n12,GMXFYBIDCYYGNJ-UHFFFAOYSA-N,3,1,0.376,66,225,382.374,2.857,4,0.571,0.77,0.989,0.31247001576314165,0.31574258104310876,0.5997618394900966,0.5583150572270578,0.4465723733808512
EOS-3-56656,CCCCCCc1cncc2nnc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,VUFTVYMOJSTLTI-UHFFFAOYSA-N,3,1,0.447,78,792,381.455,3.945,4,0.6,0.92,1.0,0.29411966280583923,0.2442515934480159,0.014923583030635323,0.06712185593859228,0.1551041738057707
EOS-3-56657,Cc1ccc(-c2nc(C)ncc2-c2nnc3cncc(Br)n23)cn1,DOXVVVVSWZFPKI-UHFFFAOYSA-N,3,1,0.554,50,861,382.225,3.023,4,0.53,0.77,1.0,0.17632444657665686,0.18585086697279143,0.16020149407168802,0.1587194160784045,0.1702740559248852
EOS-3-56658,CCn1cnnc1-c1cnc(C(=O)N2CCc3ccccc32)nc1-c1ccc(F)cc1F,BSIZEUGRARARCG-UHFFFAOYSA-N,3,0,0.274,0,999,432.434,3.903,5,0.489,0.82,0.995,0.08381879240627785,0.04555890617503941,0.11565348502501542,0.21448152971009526,0.11487817832910699
EOS-3-56659,COc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(C)c4)n23)cn1,GVOBLINCUWCZPE-UHFFFAOYSA-N,3,1,0.531,90,555,382.811,3.131,4,0.524,0.75,1.0,0.6382444657665685,0.8137036529367419,0.4995288191350833,0.41734630936878897,0.5922058118017957
EOS-3-56660,O=C(Oc1ccc(-c2nnc3cncc(CCc4ccc(F)nc4)n23)cc1Cl)c1ccccc1Cl,ONSXGDHCSJDNMU-UHFFFAOYSA-N,3,1,0.424,14,358,508.34,5.637,5,0.168,0.72,1.0,0.5958467548488795,0.6710557878144061,0.8837725310122678,0.9004437667055034,0.7627797100952642
EOS-3-56661,Cc1cnc(COc2cncc3nnc(-c4ccc(Cl)cc4CO)n23)cn1,JREPXNNMGMYUES-UHFFFAOYSA-N,3,1,0.512,90,555,382.811,2.614,4,0.566,0.74,1.0,0.6267904872866835,0.7854071002672881,0.510006168185868,0.4860016448495648,0.6020513501473511
EOS-3-56662,COc1ncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1cc(F)cc(Cl)c1,HCQXPFUOXWSZFN-UHFFFAOYSA-N,3,1,0.534,84,429,511.344,5.324,5,0.292,0.62,1.0,0.8776900143924337,0.8840381056815846,0.8667586183263656,0.8700568843807827,0.8746359056952917
EOS-3-56663,Fc1cc(COc2ncccc2-c2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1-c1ncccn1,LXXGRVQTWOSJGK-UHFFFAOYSA-N,3,1,0.462,41,192,509.932,5.682,6,0.285,0.54,1.0,0.729396545815914,0.8946696593790693,0.8372626961825783,0.8368086491672949,0.8245343876362141
EOS-3-56664,Cc1ccc(-c2ccc(-c3nnc4cncc(-c5c(-c6cncc(C)n6)nc(C)n6ncnc56)n34)cc2)nn1,PRCYDBDSAXIBJF-UHFFFAOYSA-N,3,1,0.272,98,424,512.541,3.735,7,0.343,0.5,1.0,0.0885391679802618,0.02443286957713659,0.0717736961140429,0.08703995613734494,0.06794642245219656
EOS-3-56665,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)nc1-c1cnnnc1Cl,OWYALMJMYUGXDD-UHFFFAOYSA-N,3,1,0.459,6,843,512.896,3.867,6,0.324,0.58,1.0,0.6352289082311013,0.7100952642039613,0.4824035364265643,0.5117538208484682,0.5848703824275239
EOS-3-56666,Cn1nnc(-c2cc(-c3cncc4nnc(-c5ccc(C#N)cc5)n34)n(C)n2)n1,RSULXFLSRJGZIJ-UHFFFAOYSA-N,3,1,0.438,36,542,383.379,1.254,5,0.455,0.75,1.0,0.185062709889658,0.11411143855801521,0.06161332328147488,0.09086937153039545,0.1129142108148859
EOS-3-56667,Cc1ncc(CCc2cncc3nnc(-c4ccc(C(=O)NCCOc5ccccc5Cl)cc4)n23)cn1,WCPDTQCZNSGRED-UHFFFAOYSA-N,3,1,0.417,62,886,513.989,4.137,5,0.295,0.77,1.0,0.3988760194640532,0.32089986978274276,0.35907408676581454,0.2999880063052567,0.34470949557946684
EOS-3-56668,Cc1ccc(F)cc1-c1nnc2cncc(-c3cc(-c4cccnc4)ncn3)n12,RTEKMZKEUUZNHP-UHFFFAOYSA-N,3,1,0.337,96,155,383.39,3.758,5,0.472,0.75,1.0,0.21546672606401207,0.329869440065794,0.6503752313069701,0.6604413679665547,0.4640381913508327
EOS-3-56669,Fc1cc(-c2nnc3cncc(OCCc4ccccc4)n23)ccc1-c1n[nH]c(-c2ccc(Cl)cc2)n1,KBTWZZDCULVHAU-UHFFFAOYSA-N,3,1,0.687,79,650,511.948,5.657,6,0.297,0.78,1.0,0.9753529573024468,0.9696131176752792,0.7952590638064561,0.8368172160921116,0.8942605887190734
EOS-3-56670,Cn1ncnc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5noc(C6CC(F)(F)C6)n5)nc4)n23)cc1,LOAYLNCLVHBMCU-UHFFFAOYSA-N,3,1,0.297,98,882,512.484,4.212,7,0.334,0.56,0.996,0.22371667466246317,0.2492289767664999,0.31844116236035913,0.360144952367898,0.28788294153930505
EOS-3-56671,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(C)nn5C)nc4)c3n2)cc1,JZFQTHQMACKRPX-UHFFFAOYSA-N,3,0,0.224,62,124,436.479,3.217,5,0.46,0.78,1.0,0.033925022274004527,0.00018847234596669179,0.24544239599753273,0.1187975464327325,0.09958835926255911
EOS-3-56672,CCc1nc(Cl)nc(COc2cncc3nnc(-c4ccc(-c5nccn5C)nc4OC)n23)c1Cl,UJNMLBDCYPZFBX-UHFFFAOYSA-N,3,1,0.394,7,804,512.361,3.834,5,0.3,0.57,0.822,0.4580563360975944,0.4560945103145775,0.0760314577479268,0.0784558974710438,0.26715955040778566
EOS-3-56673,COc1cnc(-c2cncc3nnc(-c4ccc(-c5ccccn5)cn4)n23)nc1,MNNJZZGIRCHHJP-UHFFFAOYSA-N,3,1,0.348,70,261,382.387,2.714,5,0.467,0.81,1.0,0.24031937495716538,0.09522993626207936,0.18271537248989103,0.16141799739565485,0.16992067027619767
EOS-3-56674,CCn1cc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4-c4ccc(F)nc4F)n23)c(C)n1,YDIFLVTYKXRSBG-UHFFFAOYSA-N,3,1,0.308,52,916,514.54,4.139,6,0.328,0.81,1.0,0.11628743746144884,0.1686484819409225,0.22754609005551368,0.26119697073538484,0.19341974504831747
EOS-3-56675,CCCOc1cncc2nnc(-c3cc(-c4ncc(F)c(C)n4)ccc3F)n12,AJEVHYDIZYSZPU-UHFFFAOYSA-N,3,1,0.553,90,636,382.374,3.624,4,0.525,0.81,1.0,0.8604362278116647,0.8590055513672812,0.4509971900486601,0.4207216777465561,0.6477901617435405
EOS-3-56676,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)cc1-c1ccc(Cl)nc1F,HTALIECORZTSMR-UHFFFAOYSA-N,3,1,0.44,37,132,513.32,4.114,5,0.297,0.66,1.0,0.7294051127407306,0.8097971352203414,0.5340620930710712,0.5384140908779385,0.6529196079775205
EOS-3-56677,Fc1cncc(Oc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)c1,QIUYKOHGYFGLOU-UHFFFAOYSA-N,3,1,0.519,12,285,383.386,4.785,5,0.447,0.85,1.0,0.9305565074360908,0.8590141182920978,0.8694486327187992,0.8813309574395175,0.8850875539716264
EOS-3-56678,CCS(=O)(=O)c1nc(COc2cncc3nnc(-c4ccc(Cl)c(C)c4)n23)cc(C(F)(F)F)n1,BPVAEDDSSCZLIK-UHFFFAOYSA-N,3,1,0.478,68,12,512.901,3.935,4,0.357,0.54,0.851,0.5282965526694537,0.8214995545199095,0.4216983071756562,0.4522308272222603,0.5559313103968199
EOS-3-56679,COCCn1cc(-c2cnnc(-c3cncc4nnc(-c5nc(-c6ccc(F)nn6)ccc5F)n34)c2)cn1,QAGLVIKKJAKMAO-UHFFFAOYSA-N,3,1,0.231,99,719,513.472,2.888,6,0.314,0.61,0.682,0.14604036734973613,0.1381245288191351,0.23128126927558085,0.2552686587622507,0.19267870605167567
EOS-3-56680,COc1cc(-c2cccnc2Cl)ccc1-c1nnc2cncc(-c3ccc(Br)cc3F)n12,BJZBTWXJWVGODT-UHFFFAOYSA-N,3,1,0.376,96,558,510.754,6.084,5,0.274,0.73,1.0,0.5702316496470426,0.6710643547392228,0.9551864162840107,0.9554605578781441,0.787985744637105
EOS-3-56681,Cc1nnc(-c2ccccc2COc2cncc3nnc(-c4ccc(C)c(-c5ccc(F)c(F)c5)c4)n23)o1,CBKDUPKPESAXDF-UHFFFAOYSA-N,3,1,0.495,77,994,510.504,5.982,6,0.272,0.69,1.0,0.8538825303269139,0.8137122198615585,0.8608560071276814,0.8266825440339935,0.838783325337537
EOS-3-56682,Cn1nc(-c2nc(CCc3ccccc3)n(C)n2)cc1-c1cncc2nnc(-c3ccc(C(F)F)cn3)n12,CZNANUNJNHDGKC-UHFFFAOYSA-N,3,1,0.295,76,54,512.528,4.105,6,0.317,0.67,0.018,0.09590672332259612,0.17732677678020697,0.2028647796586937,0.25813857857583444,0.18355921458433283
EOS-3-56683,CC1(NC(=O)c2ccc(-c3nnc4cncc(OCc5cncnc5-c5ncc(F)cn5)n34)cc2)COC1,QNZKVMOKLRTYJL-UHFFFAOYSA-N,3,1,0.44,89,731,513.493,2.275,6,0.344,0.56,1.0,0.6294119662805839,0.32545747378521006,0.14771948461380302,0.11415427318209856,0.3041857994654239
EOS-3-56684,Cc1ncc(-c2nnc3cncc(CCCc4ccc(F)c(Cl)c4)n23)cn1,NLBNQDSSUANUIC-UHFFFAOYSA-N,3,1,0.646,68,811,382.83,3.858,4,0.524,0.73,1.0,0.5229679254334864,0.5466469056267562,0.5544256733602906,0.6490901925844699,0.5682826742512508
EOS-3-56685,C#Cc1csc(Cc2cnc(-c3nnc4cncc(-c5ccc(C(=O)N6CCOCC6)nc5)n34)s2)n1,OWFCBVBKTZULLX-UHFFFAOYSA-N,3,1,0.327,52,229,514.596,2.811,6,0.329,0.69,0.996,0.010151805907751353,0.003229730655883764,0.001387841820300185,0.0022188335275169623,0.004247052977863066
EOS-3-56686,O=C(NC1COc2ccccc2C1)c1ccc(-c2nnc3cncc(-c4cnn(-c5ccccc5)c4)n23)nc1,QSBSFRKAAXAZSY-UHFFFAOYSA-N,3,1,0.287,30,195,514.549,3.773,7,0.373,0.64,0.858,0.06374648756082517,0.06809848536769242,0.4217068741004729,0.38273593310945103,0.23407194503461037
EOS-3-56687,COc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCc3csc(-c4ncccn4)n3)n12,JLLGAWNUWZTBNE-UHFFFAOYSA-N,3,1,0.434,28,414,513.518,3.889,6,0.29,0.72,1.0,0.5381999177575217,0.6184034678911657,0.1696593790692893,0.12972037557398397,0.3639957850729902
EOS-3-56688,N#Cc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nc1,FHIAJPSQGBDXBK-UHFFFAOYSA-N,3,1,0.595,90,555,381.758,2.824,4,0.535,0.81,1.0,0.9361078747172915,0.9734425330683298,0.7642125282708518,0.8080580494825578,0.8704552463847577
EOS-3-56689,Fc1ccccc1CCOc1ccc(Cl)cc1-c1nnc2cncc(-c3nc(-c4ccccc4)n[nH]3)n12,NTOQHOWTEILVJB-UHFFFAOYSA-N,3,1,0.413,79,480,511.948,5.657,6,0.297,0.76,1.0,0.4580649030224111,0.6226697964498663,0.7642210951956686,0.814885888561442,0.6649604208073471
EOS-3-56690,OCc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,UGAKDIHRSBVFSW-UHFFFAOYSA-N,3,1,0.56,48,400,381.823,2.954,4,0.517,0.88,1.0,0.902439860187787,0.8814251936125008,0.635237475155918,0.637507710232335,0.7641525597971351
EOS-3-56691,O=C(Nc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cn1)c1ccc(-c2ccccn2)cc1,DBDBUXIQEMDCAW-UHFFFAOYSA-N,3,1,0.563,17,824,513.561,5.122,6,0.301,0.8,1.0,0.5075388938386677,0.12416044136796656,0.5273970255637036,0.4142022479610719,0.39332465218285245
EOS-3-56692,Cc1ccc(-c2nnc3cncc(CNCc4ccc(-c5c(F)c(Cl)cc(F)c5Cl)cn4)n23)nc1,FQTDHCRRDOCVLC-UHFFFAOYSA-N,3,1,0.333,59,291,512.351,5.432,5,0.306,0.68,1.0,0.3300579124117607,0.34949626482077994,0.9024312932629703,0.9140823110136386,0.6240169453772874
EOS-3-56693,CC1(O)CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC6CC6)cc5F)n34)nc2)CC1,HTBBQVOUENQTJK-UHFFFAOYSA-N,3,1,0.336,0,175,515.549,2.872,6,0.419,0.76,1.0,0.1850712768144747,0.14177403879103556,0.010965663765334796,0.06374648756082517,0.10038936673291755
EOS-3-56694,COc1nc(-c2nnc3cncc(OCc4cc(OC(F)F)ccc4F)n23)ccc1-c1cc(F)ccn1,IDXNQDVMQYPLLZ-UHFFFAOYSA-N,3,1,0.475,49,703,512.423,4.716,5,0.276,0.63,0.929,0.9438952093756425,0.9236858337331232,0.9352597491604414,0.8883130011651018,0.9227884483585773
EOS-3-56695,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCc4ncc(-c5cccnc5F)cn4)n23)c(F)c1,AWIKSKLZHRKWBY-UHFFFAOYSA-N,3,1,0.38,39,449,513.443,4.097,6,0.304,0.65,1.0,0.6835806318963745,0.6614779658693716,0.6322647522445343,0.6634312247275718,0.6601886436844631
EOS-3-56696,Clc1ccccc1-c1nnc2cncc(-c3cccc(-c4ccccc4)n3)n12,MXUCFDNLRUSWNK-UHFFFAOYSA-N,3,1,0.484,30,93,383.842,5.174,5,0.431,0.87,1.0,0.234887944623398,0.42510794325269,0.7850387225001714,0.8799174148447674,0.5812380063052567
EOS-3-56697,Cc1cc(-c2nnc3cncc(CCc4ccc(Cl)cc4)n23)ccc1Cl,ITXPEIHVEFKBOF-UHFFFAOYSA-N,3,1,0.465,23,646,383.282,5.192,4,0.487,0.87,1.0,0.512430607908985,0.7468816393667329,0.9190596943321225,0.9568141319991775,0.7837965184017545
EOS-3-56698,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)c(-c6nnc(C)n6C)n5)n34)nc2)n[nH]1,SLAPSIYNHNCWPO-UHFFFAOYSA-N,3,1,0.368,53,826,513.953,3.616,6,0.354,0.62,0.128,0.33246521828524433,0.4205846069494894,0.07604002467274347,0.0852409019258447,0.22858268795833048
EOS-3-56699,OC1(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4F)n23)CC1,GCVXXXQZTMOLFT-UHFFFAOYSA-N,3,1,0.512,90,548,383.408,2.958,5,0.57,0.6,1.0,0.7169316702076622,0.7511736686998834,0.3590826536906312,0.5929682681104791,0.605039065177164
EOS-4-00002,Fc1cc(COc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)c(F)cn1,ONHNTLMLVVWGCC-UHFFFAOYSA-N,4,1,0.608,90,305,423.301,3.942,4,0.358,0.66,1.0,0.9871667466246317,0.977486121581797,0.9946970735384826,0.9880320060311151,0.9868454869440065
EOS-4-00003,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)cc1,NWAHPMJFLJSOGS-UHFFFAOYSA-N,4,1,0.763,48,40,451.26,5.321,4,0.381,0.79,1.0,0.9987492289767665,0.9977725995476664,0.9859245425262148,0.9888458638886986,0.9928230587348366
EOS-4-00004,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F,ISQXYPOLKCAVPP-UHFFFAOYSA-N,4,1,0.778,23,17,422.313,4.389,4,0.341,0.73,1.0,0.9973528202316496,0.9953310259749161,0.9956651360427661,0.9956737029675827,0.9960056713042287
EOS-4-00005,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)ccn1,DEYQKURGCFMSKG-UHFFFAOYSA-N,4,1,0.636,90,240,421.329,4.105,4,0.359,0.71,1.0,0.9782400109656638,0.9759783428140635,0.994482900418066,0.9874237543691317,0.9840312521417313
EOS-4-00006,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4c(Cl)ccc(Cl)c4F)n23)c1,KBEHFZUNVKLNMO-UHFFFAOYSA-N,4,1,0.573,23,627,443.187,5.234,4,0.32,0.69,1.0,0.944811870331026,0.9583219107669111,0.9962391200054829,0.9991775752175999,0.9746376190802549
EOS-4-00007,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)cc1Cl,GCSYBFRPFLYHAM-UHFFFAOYSA-N,4,1,0.812,23,86,453.251,5.796,4,0.371,0.81,1.0,0.9938746487560826,0.9967617024192996,0.9951082859296827,0.9977383318483997,0.9958707422383661
EOS-4-00008,N#Cc1cc(-c2nnc3cncc(OCc4c(F)c(F)cc(F)c4Cl)n23)ccc1Cl,AFSBANNHPQHYFI-UHFFFAOYSA-N,4,1,0.608,23,627,450.207,4.966,4,0.411,0.68,1.0,0.9791909396203139,0.9886488246179151,0.995356726749366,0.9984922212322664,0.9904221780549654
EOS-4-00010,Fc1cc(Br)c(F)c(F)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,ZDGMCQNQTVKEPJ-UHFFFAOYSA-N,4,1,0.71,23,627,469.648,5.204,4,0.304,0.67,1.0,0.9943972311698992,0.9942430265231992,0.9911932012884654,0.9948341443355493,0.9936669008292783
EOS-4-00011,Fc1ccc(OCCCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(F)c1F,RSCVXCQNWKQEDM-UHFFFAOYSA-N,4,1,0.671,48,40,466.366,4.658,4,0.203,0.79,1.0,0.9871753135494483,0.9909875950928655,0.9836286066753478,0.9738708793091632,0.9839155986567062
EOS-4-00012,Fc1cc(C(F)F)ccc1-c1nnc2cncc(Cc3cncc(C(F)(F)F)c3)n12,NVUHZJLIJKCGKA-UHFFFAOYSA-N,4,1,0.365,66,225,423.32,4.873,4,0.44,0.79,0.999,0.5254180659310533,0.6757247618394902,0.9994174491124665,0.9991090398190665,0.7999173291755192
EOS-4-00013,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(F)c(F)c3Cl)n12,RANILODEXFPDAK-UHFFFAOYSA-N,4,1,0.75,23,627,439.224,5.137,4,0.405,0.74,1.0,0.9896511548214653,0.9953395928997327,0.9902936741827154,0.9962391200054829,0.9928808854773491
EOS-4-00014,Fc1cc(-c2nnc3cncc(OCCc4cccc(F)c4Cl)n23)ccc1C(F)F,OUSAYHFYRWLLSV-UHFFFAOYSA-N,4,1,0.679,23,240,436.796,5.282,4,0.386,0.74,1.0,0.992829483928449,0.9938146802823659,0.9944143650195326,0.9962476869302995,0.9943265540401618
EOS-4-00015,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,XEAHOUIZVZBUOT-UHFFFAOYSA-N,4,1,0.676,48,240,419.794,4.48,4,0.446,0.86,1.0,0.9895055170995819,0.9855133301350147,0.9910561304913988,0.982771914193681,0.9872117229799191
EOS-4-00016,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4c(F)cccc4Cl)n23)c1F,ZBEUZWQQNKOMCV-UHFFFAOYSA-N,4,1,0.569,23,627,426.732,4.719,4,0.35,0.69,1.0,0.9408282502912755,0.9565142896305942,0.9951168528544994,0.9982609142622164,0.9726800767596463
EOS-4-00017,Fc1cccc(COc2cncc3nnc(-c4ccc(OCc5ccc(Cl)cc5)cc4)n23)c1F,ZFYWMBARAALESL-UHFFFAOYSA-N,4,1,0.711,57,397,478.886,5.881,5,0.292,0.85,1.0,0.9955280652456994,0.9888629977383319,0.9830631896374478,0.9816496470426975,0.9872759749160442
EOS-4-00018,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)c2)nc1,IBGXZSFDKWQWEB-UHFFFAOYSA-N,4,1,0.541,57,13,451.383,4.989,5,0.278,0.78,1.0,0.9305650743609074,0.9124031937495717,0.9810156946062641,0.980373175245014,0.9510892844904393
EOS-4-00019,FC(F)c1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1Cl,IVWVOKWQSZPGKU-UHFFFAOYSA-N,4,1,0.736,48,240,435.261,5.657,4,0.393,0.83,1.0,0.985324857789048,0.994251593448016,0.9889743677609485,0.9928380508532657,0.9903472174628196
EOS-4-00020,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)c1,FMMHFCDOLUURCJ-UHFFFAOYSA-N,4,1,0.739,23,370,449.23,4.593,4,0.419,0.78,1.0,0.9776060585292303,0.9754214927009801,0.9723631005414296,0.9738794462339798,0.9748175245014049
EOS-4-00022,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,UYQAXJJVDTXPFG-UHFFFAOYSA-N,4,1,0.718,90,305,435.793,4.202,4,0.433,0.77,1.0,0.9840483859913646,0.9884089507230485,0.967762661914879,0.9634534987320952,0.9759183743403468
EOS-4-00023,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(F)cc4C(F)(F)F)n23)ccc1F,TZWVMHQWEXBPPN-UHFFFAOYSA-N,4,1,0.506,90,240,446.339,3.976,4,0.431,0.66,1.0,0.9603008703995614,0.9618343499417449,0.9892142416558152,0.97554999657323,0.9717248646425879
EOS-4-00024,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cnc1Cl,LHGJWRLQERHOOV-UHFFFAOYSA-N,4,1,0.731,90,305,435.793,4.202,4,0.405,0.8,1.0,0.9905678157768487,0.9926667123569324,0.9649184428757454,0.9561544787882942,0.9760768624494551
EOS-4-00025,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(CC(F)(F)F)nc4)n23)cc1,YPLQADXXBVLCEO-UHFFFAOYSA-N,4,1,0.703,66,305,451.355,4.472,4,0.386,0.78,1.0,0.9693732437804126,0.8992272633815366,0.9920755945445823,0.9771434445891303,0.9594548865739154
EOS-4-00026,Fc1cnccc1-c1cccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c1,AXHWCODHHBJIJO-UHFFFAOYSA-N,4,1,0.536,57,962,449.848,5.364,5,0.361,0.72,1.0,0.9408368172160921,0.9144164210814886,0.9727657460078131,0.9776231923788636,0.9514105441710643
EOS-4-00027,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c1,YTUJFAYAXUAKQD-UHFFFAOYSA-N,4,1,0.746,23,627,422.769,4.623,4,0.348,0.8,1.0,0.9835086697279145,0.9861901171955315,0.9907220204235487,0.9946970735384826,0.9887794702213692
EOS-4-00028,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)c1,GLWPJAQUUYKNNL-UHFFFAOYSA-N,4,1,0.746,23,627,422.769,4.623,4,0.348,0.83,1.0,0.9829346857651977,0.9868155027071482,0.9907305873483654,0.9947056404632993,0.9887966040710027
EOS-4-00029,Fc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)cc1Cl,JYCAVHWZRJMBAH-UHFFFAOYSA-N,4,1,0.757,23,627,422.769,4.623,4,0.348,0.73,1.0,0.9964532931258995,0.9966417654718662,0.992289767664999,0.995536632170516,0.9952303646083202
EOS-4-00030,FC(F)(F)COc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,HGBJLPRXTTYTOU-UHFFFAOYSA-N,4,1,0.63,48,305,449.82,4.402,4,0.389,0.85,1.0,0.9829432526900144,0.9689277636899458,0.9765009252278802,0.947596120896443,0.9689920156260708
EOS-4-00031,FC(F)c1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1Cl,LDKZJQWFHKUOOG-UHFFFAOYSA-N,4,1,0.786,48,240,435.261,5.657,4,0.393,0.81,1.0,0.9832173942841478,0.9934977040641492,0.9888030292646152,0.9929836885751491,0.9896254540470153
EOS-4-00032,Fc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1cncnc1,WIDIFEOHBLHNRJ-UHFFFAOYSA-N,4,1,0.488,13,724,454.799,5.111,5,0.375,0.69,1.0,0.9317044753615242,0.9409824549379755,0.9747875402645466,0.9771520115139469,0.9561566205194983
EOS-4-00033,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)ccc1Cl,LPUDYZKXSIQZBE-UHFFFAOYSA-N,4,1,0.658,23,86,446.244,4.869,4,0.409,0.73,1.0,0.9903793434308821,0.9961534507573162,0.9892228085806319,0.9939517510794326,0.9924268384620657
EOS-4-00034,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)ccc1F,BONJKCOEUSBTSD-UHFFFAOYSA-N,4,1,0.61,48,305,428.349,3.837,4,0.449,0.75,1.0,0.985016448495648,0.9861986841203482,0.9855218970598314,0.9640617503940785,0.9801996950174765
EOS-4-00035,Fc1cc(-c2cnc(C(F)(F)F)cn2)ccc1-c1nnc2cncc(Br)n12,ROHCDUYCPAKEQA-UHFFFAOYSA-N,4,1,0.571,68,861,439.17,4.169,4,0.439,0.81,1.0,0.3811596189431842,0.5651343293811254,0.9849307792474813,0.9675656226440956,0.7246975875539716
EOS-4-00038,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c1,LDPJOHFUJDCANI-UHFFFAOYSA-N,4,1,0.806,23,86,421.234,4.998,4,0.455,0.79,1.0,0.9967531354944829,0.9985521897059831,0.982232197930231,0.9919642245219656,0.9923754369131657
EOS-4-00039,FC(F)(F)c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1Cl,YEOGJJILRGYPEX-UHFFFAOYSA-N,4,1,0.538,90,255,441.2,4.486,4,0.465,0.76,1.0,0.8977023507641697,0.9610547597834281,0.9881947776026317,0.9827804811184977,0.9574330923171819
EOS-4-00041,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccncc5)nc(C(F)(F)F)c4)n23)c1F,PYUCLXSWTRFASR-UHFFFAOYSA-N,4,1,0.5,59,679,484.388,5.124,5,0.322,0.67,1.0,0.9103128640943047,0.9063121102049209,0.9912017682132822,0.9787368926050305,0.9466409087793846
EOS-4-00042,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)ccc1Cl,LTPUIINMPQMWKB-UHFFFAOYSA-N,4,1,0.618,23,607,415.762,4.313,4,0.464,0.74,1.0,0.9859588102254815,0.9913816736344322,0.9927266808306491,0.9954423959975327,0.9913773901720239
EOS-4-00046,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1Cl,VFXHIQWBHLNGNK-UHFFFAOYSA-N,4,1,0.635,23,627,415.762,4.313,4,0.464,0.7,1.0,0.9840569529161812,0.9909961620176821,0.9934291686656158,0.9959478445617161,0.9911075320402988
EOS-4-00047,Fc1c(Cl)ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,ZULHRMOUBQZFEM-UHFFFAOYSA-N,4,1,0.765,23,86,421.234,4.998,4,0.426,0.78,1.0,0.9997001576314166,0.9995459529847166,0.9832516619834144,0.9911075320402988,0.9934013261599616
EOS-4-00049,Fc1cc(-c2ccncc2)cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c1,GMQBGNAMRISPGZ-UHFFFAOYSA-N,4,1,0.519,13,145,419.366,5.063,5,0.407,0.77,1.0,0.8019069974641903,0.8429854019601124,0.9719518881502296,0.9743591940237133,0.8978008703995614
EOS-4-00050,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(Cl)c1F,GDURJGVODAQNFX-UHFFFAOYSA-N,4,1,0.875,23,86,421.234,4.998,4,0.426,0.82,1.0,0.9999314646014666,0.9998372284284833,0.9839541498183811,0.9915958467548489,0.9938296724007949
EOS-4-00051,N#Cc1cc(-c2nnc3cncc(OCc4ccc(CC(F)(F)F)nc4)n23)ccc1F,FTMBEQSRMRZYJO-UHFFFAOYSA-N,4,1,0.585,90,12,428.349,3.881,4,0.448,0.7,1.0,0.8814080597628675,0.9013518607360702,0.9884689191967652,0.9726029744362964,0.9359579535329998
EOS-4-00052,N#Cc1c(F)ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)c1F,MOMRIVOXUOKSOM-UHFFFAOYSA-N,4,1,0.5,57,709,458.403,4.721,5,0.379,0.77,1.0,0.9750445480090467,0.9573281474881776,0.9730998560756631,0.9655266945377288,0.967749811527654
EOS-4-00053,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1OC(F)(F)F,HCXKTAVATFVSMJ-UHFFFAOYSA-N,4,1,0.605,90,305,460.803,4.231,4,0.424,0.72,1.0,0.9668802686587622,0.9682167089301624,0.9832602289082311,0.967068741004729,0.9713564868754712
EOS-4-00055,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)c(F)c1,SAXMNWMHAGSDLX-UHFFFAOYSA-N,4,1,0.794,23,370,421.234,4.998,4,0.455,0.8,1.0,0.9892399424302653,0.992675279281749,0.9789424988006306,0.9908847919950654,0.9879356281269276
EOS-4-00056,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1Cl,ZAKXQGJTLUOGNX-UHFFFAOYSA-N,4,1,0.814,23,86,428.254,4.73,4,0.46,0.78,1.0,0.9956394352683161,0.997961071893633,0.9799105613049139,0.9868840381056816,0.9900987766431362
EOS-4-00057,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1Cl,QNIVFVBKVBFSRG-UHFFFAOYSA-N,4,1,0.814,23,86,428.254,4.73,4,0.46,0.82,1.0,0.9956480021931328,0.998038174216983,0.9799191282297307,0.9868926050304982,0.9901244774175861
EOS-4-00058,FC(F)c1cc(-c2nnc3cncc(OCCc4cccc(Br)c4)n23)ccc1Cl,AWKRAVKHYHEQRL-UHFFFAOYSA-N,4,1,0.736,48,240,479.712,5.766,4,0.352,0.76,1.0,0.982951819614831,0.9931978616955658,0.985530463984648,0.9849993146460146,0.9866698649852649
EOS-4-00059,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)ccc1Cl,JMFHEVITXNMBEF-UHFFFAOYSA-N,4,1,0.763,90,948,435.793,4.202,4,0.433,0.86,1.0,0.9819066547871976,0.9864728257144816,0.9677712288396957,0.9579535329997944,0.9735260605852923
EOS-4-00060,Fc1ccc(NCc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1Cl,ZQCDAEYHBJQDGU-UHFFFAOYSA-N,4,1,0.418,23,678,421.785,5.215,4,0.459,0.87,1.0,0.5537146186005072,0.6856966623260914,0.9979782057432663,0.9977468987732163,0.8087840963607702
EOS-4-00061,Fc1cc(F)c(Cl)c(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1F,QVOUSNJXNJITMT-UHFFFAOYSA-N,4,1,0.547,23,627,426.185,4.489,4,0.356,0.64,1.0,0.9227777397025564,0.967454252621479,0.9863443218422315,0.9916044136796656,0.9670451819614831
EOS-4-00062,Fc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccnc(F)c5)c4)n23)cc1,MFBWZLVTZRIQCG-UHFFFAOYSA-N,4,1,0.409,57,358,433.849,5.376,5,0.357,0.79,1.0,0.5929597011856624,0.772616681516003,0.9719604550750462,0.982489205674731,0.8300065108628607
EOS-4-00063,Oc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)ccn2)cc1F,FWCJWQHFLNSDRD-UHFFFAOYSA-N,4,1,0.489,57,332,449.392,4.555,5,0.424,0.68,1.0,0.9514855047632101,0.9063206771297375,0.9605921458433281,0.9534387636214104,0.9429592728394215
EOS-4-00064,Fc1ccc(-c2cc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)ccn2)cn1,XDWBUFVFWNTYHP-UHFFFAOYSA-N,4,1,0.459,13,724,454.799,5.111,5,0.351,0.68,1.0,0.8327564937290111,0.9218867795216229,0.9620742238366116,0.9634620656569118,0.9200448906860392
EOS-4-00065,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)c(Cl)c4)n23)ccc1Cl,UBWZHOXVAKZVOH-UHFFFAOYSA-N,4,1,0.732,57,13,466.303,5.878,5,0.324,0.82,1.0,0.9779573024467137,0.9652097183195121,0.9758841066410802,0.9836714412994312,0.9756806421766844
EOS-4-00066,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1Cl,APIOOXGWKAEVMT-UHFFFAOYSA-N,4,1,0.789,23,86,433.27,4.351,4,0.49,0.83,1.0,0.9843567952847646,0.9876978959632651,0.9719690219998629,0.9779915701459804,0.9805038208484682
EOS-4-00067,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1Cl,LCPRMGQIGFGQRC-UHFFFAOYSA-N,4,1,0.841,23,721,428.254,4.73,4,0.46,0.77,1.0,0.9969587416900829,0.9967702693441163,0.9799276951545474,0.9864128572407649,0.9900173908573779
EOS-4-00068,Fc1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)cc1Cl,VGISLTFLUQDJQX-UHFFFAOYSA-N,4,1,0.556,68,255,424.745,3.972,4,0.461,0.76,1.0,0.9408453841409088,0.9696216846000959,0.9673685833733123,0.9378812281543417,0.9539292200671646
EOS-4-00069,N#Cc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)ccc1Cl,UIGCKVZTMNDKLS-UHFFFAOYSA-N,4,1,0.701,23,86,428.254,4.73,4,0.46,0.79,1.0,0.9913131382358988,0.9964275923514495,0.977923034747447,0.9858817079021315,0.9878863683092318
EOS-4-00070,Fc1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)ccc1COCC(F)F,PHNZNBBCEUTQNK-UHFFFAOYSA-N,4,1,0.384,66,455,468.361,4.112,4,0.38,0.67,1.0,0.6322390514700843,0.7331659927352477,0.9896511548214653,0.9714207388115962,0.8316192344595983
EOS-4-00071,FC(F)c1cc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)ccc1C(F)(F)F,MSBDDSYRTWDYSR-UHFFFAOYSA-N,4,1,0.36,68,861,426.736,4.858,4,0.438,0.76,0.993,0.4010263175930368,0.6564491810019876,0.9969244739908163,0.9956822698923994,0.76252056061956
EOS-4-00072,N#Cc1cc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)ccc1Cl,NVKCTCRTLVMAOE-UHFFFAOYSA-N,4,1,0.694,23,370,428.254,4.73,4,0.46,0.77,1.0,0.9905763827016654,0.9962905215543828,0.9758926735658968,0.9850078815708313,0.9869418648481941
EOS-4-00073,Fc1cc(-c2ccc(C(F)(F)F)nn2)ccc1-c1nnc2cncc(Br)n12,IMRZRRTWILMCKK-UHFFFAOYSA-N,4,1,0.597,66,861,439.17,4.169,4,0.439,0.86,1.0,0.4210729216640395,0.5850352957302447,0.9836371736001644,0.9681139058323625,0.7394648242067028
EOS-4-00074,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c(Cl)c1,BPSTXICWXUFMGF-UHFFFAOYSA-N,4,1,0.757,23,86,454.144,6.026,4,0.37,0.76,1.0,0.9903879103556987,0.9950825851552326,0.9839627167431979,0.9962562538551162,0.9914223665273114
EOS-4-00075,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)c1,HVRITODNWIAGMG-UHFFFAOYSA-N,4,1,0.561,68,255,426.28,3.596,4,0.367,0.66,1.0,0.8604447947364814,0.8992358303063532,0.9789510657254472,0.9508858200260435,0.9223793776985814
EOS-4-00076,Fc1cc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nnc1Cl,GVHULBWDDJXBKQ-UHFFFAOYSA-N,4,1,0.582,90,305,438.772,4.014,4,0.438,0.76,1.0,0.9726286752107464,0.9759869097388801,0.9772205469124803,0.9665547255157289,0.9730977143444589
EOS-4-00078,N#Cc1cc(F)c(NCc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(F)c1,OOBWPZZMTJVNBY-UHFFFAOYSA-N,4,1,0.438,66,225,430.34,4.572,4,0.48,0.82,1.0,0.5024415735727503,0.6087314097731479,0.9979867726680831,0.9962648207799328,0.7763561441984785
EOS-4-00079,OCc1c(F)ccc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ccn4)n23)c1F,CVCDBENVUSAHCN-UHFFFAOYSA-N,4,1,0.477,57,560,463.419,4.342,5,0.403,0.73,1.0,0.7904016174354054,0.7768401754506202,0.9620827907614283,0.9561630457131108,0.8713719073401411
EOS-4-00080,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4cc(Br)cc(Cl)c4F)n23)c1,NUOUWQLMAKROSN-UHFFFAOYSA-N,4,1,0.553,23,627,487.638,5.343,4,0.288,0.62,1.0,0.9536186690425604,0.9593413748200946,0.9953652936741827,0.9983465835103831,0.9766679802618052
EOS-4-00081,N#Cc1cc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)cc(F)n1,BEWRUQSXRAPUDM-UHFFFAOYSA-N,4,1,0.422,13,724,479.809,4.983,5,0.335,0.64,1.0,0.9056267562195874,0.9504146391611267,0.9653810568158454,0.9628709478445617,0.9460733500102803
EOS-4-00082,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,ZDMNGUBAKOKDEC-UHFFFAOYSA-N,4,1,0.662,90,255,421.766,4.159,4,0.465,0.7,1.0,0.9214927009800562,0.9754300596257968,0.9702385031868961,0.9670773079295456,0.9585596429305736
EOS-4-00083,FC(F)c1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1Cl,QXLVLPDJAPUFPG-UHFFFAOYSA-N,4,1,0.61,90,281,436.249,5.052,4,0.423,0.8,1.0,0.9640446165444452,0.9764837913782468,0.9754814611746967,0.9794222465903639,0.9738580289219381
EOS-4-00084,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4cncc(Br)c4)n23)c1,XMAWFHKYGSSCBE-UHFFFAOYSA-N,4,1,0.582,23,281,450.218,3.988,4,0.431,0.68,1.0,0.9087194160784045,0.9182201357000891,0.9329209786854911,0.9353111507093413,0.9237929202933315
EOS-4-00085,FC(F)c1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1Cl,PUQIDQDSXOWJNP-UHFFFAOYSA-N,4,1,0.645,90,281,436.249,5.052,4,0.396,0.75,1.0,0.9640531834692618,0.982386402576931,0.9762096497841135,0.9776317593036804,0.9750702487834967
EOS-4-00086,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1,VDFOFOPWAKNOMR-UHFFFAOYSA-N,4,1,0.603,1,713,469.448,5.392,5,0.332,0.79,1.0,0.9646014666575287,0.9063292440545542,0.979936262079364,0.9508943869508601,0.9504403399355768
EOS-4-00087,FC(F)Oc1cccc(NCc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,UQLSDADVSWPUAN-UHFFFAOYSA-N,4,1,0.5,66,225,435.356,5.024,4,0.431,0.85,1.0,0.5840929340004112,0.6564577479268042,0.997447056404633,0.9929922554999657,0.8077474984579536
EOS-4-00088,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)c1,GEVLZNFKZSTUPL-UHFFFAOYSA-N,4,1,0.584,90,255,426.28,3.596,4,0.367,0.71,1.0,0.7648464807072853,0.8429939688849291,0.9892313755054486,0.9755585634980467,0.8931575971489275
EOS-4-00089,OCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,ROXIDGBBDYPHFO-UHFFFAOYSA-N,4,1,0.778,23,721,416.815,3.837,4,0.517,0.82,1.0,0.9917072167774655,0.9868240696319649,0.9711808649167295,0.9705640463299294,0.9800690494140223
EOS-4-00091,Cc1cc(-c2nnc3cncc(OCc4c(F)cc(F)c(F)c4F)n23)ccc1Cl,FPCUGLCKCQYPIU-UHFFFAOYSA-N,4,1,0.592,23,627,422.769,4.889,4,0.267,0.73,1.0,0.9707011171269961,0.9835772051264479,0.9936690425604825,0.9955451990953328,0.9858731409773147
EOS-4-00092,Fc1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1-c1ncccn1,HYVVZIVFPHBEGA-UHFFFAOYSA-N,4,1,0.568,59,293,434.381,4.245,5,0.412,0.71,1.0,0.9757042012199301,0.9565228565554109,0.9247309985607566,0.9184771434445891,0.9438587999451717
EOS-4-00093,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5ccccn5)ncc4Cl)n23)cc1F,XELZXKLOBHXZDQ-UHFFFAOYSA-N,4,1,0.477,59,445,468.826,4.898,5,0.341,0.7,1.0,0.8906774724145021,0.9063378109793708,0.9517939140566103,0.9568226989239943,0.9264079740936193
EOS-4-00094,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)cn1,KKZPHNBLVIQIMI-UHFFFAOYSA-N,4,1,0.462,68,364,436.344,4.024,4,0.425,0.6,1.0,0.8043828387362073,0.8893495990679186,0.9644729627852786,0.9152388458638887,0.8933610616133233
EOS-4-00095,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)c(F)n1,QVKOUFRWZVYZLC-UHFFFAOYSA-N,4,1,0.57,90,281,430.777,3.75,4,0.354,0.73,1.0,0.9678911657871291,0.9806473168391474,0.9600095949557946,0.9609862243848948,0.9673835754917415
EOS-4-00097,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4Cl)n23)ccc1Cl,RGVLGFYXSDIPBW-UHFFFAOYSA-N,4,1,0.697,23,370,444.709,5.245,4,0.42,0.71,1.0,0.9835172366527312,0.9940716880268659,0.9772291138372969,0.989762524844082,0.986145140840244
EOS-4-00098,FC(F)(F)c1ccc(-c2ncccc2-c2nnc3cncc(Br)n23)cn1,VXGFSVONMLSEGR-UHFFFAOYSA-N,4,1,0.677,68,861,421.18,4.03,4,0.489,0.82,1.0,0.34437324378041256,0.5144352683160852,0.9551949832088273,0.9085223768076212,0.6806314680282366
EOS-4-00099,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)c2)nc1,IFCPTLPFYNKPGD-UHFFFAOYSA-N,4,1,0.494,59,445,452.371,4.384,5,0.291,0.62,1.0,0.8493163593996299,0.8648053594681653,0.9687221574943459,0.9646014666575287,0.9118613357549175
EOS-4-00100,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(Cl)c(C(F)F)c3)n12,RLWSSPHQBGBBSD-UHFFFAOYSA-N,4,1,0.628,90,281,419.794,4.538,4,0.459,0.76,1.0,0.9536272359673772,0.9788825303269139,0.9784884517853472,0.9755671304228634,0.9716413371256254
EOS-4-00101,Fc1cc(-c2cncc3nnc(-c4ccccc4F)n23)ccc1Oc1nccnc1F,XEPRXYJURKCJNF-UHFFFAOYSA-N,4,1,0.416,45,46,420.354,4.458,5,0.427,0.77,1.0,0.6267990542115003,0.8430025358097457,0.9001867589610033,0.895140840243986,0.8162822973065589
EOS-4-00102,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)nc1,MOEZCUWSHCRDBP-UHFFFAOYSA-N,4,1,0.623,59,293,434.381,4.245,5,0.412,0.76,1.0,0.9765094921526969,0.9524278664930437,0.902439860187787,0.9027311356315537,0.9335270886162703
EOS-4-00103,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,FGJMIKMFSUYDNM-UHFFFAOYSA-N,4,1,0.475,13,724,436.809,4.972,5,0.395,0.71,1.0,0.7960900555136728,0.8395671989582619,0.9345315605510246,0.935319717634158,0.8763771331642793
EOS-4-00104,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1F,FLNHCIWVYNUFHH-UHFFFAOYSA-N,4,1,0.71,23,627,408.742,4.58,4,0.282,0.77,1.0,0.9961534507573162,0.9958793091631828,0.9935491056130491,0.9967360016448495,0.9955794667945994
EOS-4-00105,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,CFCYQEUAULVASY-UHFFFAOYSA-N,4,1,0.754,23,627,408.742,4.58,4,0.366,0.76,1.0,0.9956565691179494,0.9961620176821329,0.9935576725378658,0.9968473716674663,0.9955559077513536
EOS-4-00106,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)c1,YEWPEYGVCJQDII-UHFFFAOYSA-N,4,1,0.568,59,293,434.381,4.245,5,0.412,0.73,1.0,0.9719261873757796,0.9513227331916935,0.9230347474470564,0.9205417723254061,0.941706360084984
EOS-4-00107,Fc1ccc(CCOc2cncc3nnc(-c4cnc(-c5ccccc5)c(F)c4)n23)cc1F,PDBAJRJUYBSWIX-UHFFFAOYSA-N,4,1,0.737,57,485,447.42,4.892,5,0.371,0.73,1.0,0.9807329860873141,0.9710180933452128,0.9321413885271743,0.9353282845589748,0.9548051881296691
EOS-4-00108,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)c1,GCQMYIHHDNJIMY-UHFFFAOYSA-N,4,1,0.566,23,627,410.277,4.205,4,0.374,0.75,1.0,0.9514940716880269,0.944837571105476,0.9970615447878829,0.9986464258789665,0.9730099033650881
EOS-4-00110,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5ccc(Cl)nc5)ccn4)n23)cc1F,JERGRWKEDBHOJS-UHFFFAOYSA-N,4,1,0.444,59,153,468.826,4.898,5,0.27,0.75,1.0,0.814783085463642,0.8528716331985471,0.9687307244191625,0.9705726132547461,0.9017395140840245
EOS-4-00111,Fc1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cc1C(F)(F)F,VUXMIMHKMNLQFE-UHFFFAOYSA-N,4,1,0.372,50,845,438.348,3.863,5,0.395,0.66,1.0,0.4187170173394558,0.6321105475978342,0.9738708793091632,0.9482300733328765,0.7432321293948324
EOS-4-00113,N#Cc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3ccc(F)c(F)c3F)n12,FFDCVBYZLCXTOT-UHFFFAOYSA-N,4,1,0.489,59,577,459.391,4.116,5,0.365,0.66,1.0,0.9361164416421082,0.9352254814611747,0.9635220341306284,0.95030326913851,0.9462918065931053
EOS-4-00114,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)c1,YJWZZJDGIFVYSZ-UHFFFAOYSA-N,4,1,0.553,23,627,410.277,4.205,4,0.374,0.75,1.0,0.9545010622986773,0.9448461380302926,0.9967874031937496,0.9984322527585497,0.9736417140703174
EOS-4-00115,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ncc1Cl,HNVKZTFYIXBHKH-UHFFFAOYSA-N,4,1,0.77,90,305,435.793,4.202,4,0.433,0.77,1.0,0.9857703378795147,0.9903622095812488,0.9594527448427113,0.9534473305462271,0.9722581557124255
EOS-4-00116,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)c1,UAUGHZZLWLFCSF-UHFFFAOYSA-N,4,1,0.551,23,627,408.742,4.58,4,0.366,0.73,1.0,0.9707096840518128,0.9682252758549791,0.9936776094852992,0.9973014186827497,0.9824784970187102
EOS-4-00117,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)c1,KRVPQGCVGAGRJU-UHFFFAOYSA-N,4,1,0.553,23,627,408.742,4.58,4,0.366,0.74,1.0,0.9567198958261942,0.9643701596874786,0.9926153108080323,0.9968559385922829,0.9776403262284971
EOS-4-00118,Fc1cc(NCc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cnc1Cl,WLVZKBKXHJWADK-UHFFFAOYSA-N,4,1,0.372,66,225,422.773,4.61,4,0.384,0.83,1.0,0.38116818586800083,0.41150366664382154,0.9936005071619491,0.9882804468507984,0.6936382016311424
EOS-4-00119,Fc1cnc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1Cl,XFYDKTYHWFDTRC-UHFFFAOYSA-N,4,1,0.77,90,305,435.793,4.202,4,0.433,0.73,1.0,0.984682338427798,0.9903707765060654,0.9594613117675279,0.9534558974710438,0.9719925810431087
EOS-4-00120,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(F)cc5Cl)n34)cn2)c1,BGISPEQOFVEQMR-UHFFFAOYSA-N,4,1,0.397,45,533,419.822,5.452,5,0.39,0.84,1.0,0.3718559385922829,0.6564663148516209,0.9677797957645123,0.9836800082242478,0.744945514358166
EOS-4-00121,Fc1cc(-c2ncccn2)cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)c1,KMYCPBPPXACEKG-UHFFFAOYSA-N,4,1,0.494,13,145,420.354,4.458,5,0.427,0.75,1.0,0.7876173668699884,0.8360204920841615,0.9172863408950723,0.9184857103694058,0.8648524775546571
EOS-4-00122,Cc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1ccncc1,NBIZPRLSEPTHFJ-UHFFFAOYSA-N,4,1,0.494,13,724,449.848,5.886,5,0.342,0.75,1.0,0.9087279830032212,0.8893581659927352,0.9687392913439792,0.9660749777259955,0.9332251045164829
EOS-4-00123,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1F,KISWJAXCRCJAAX-UHFFFAOYSA-N,4,1,0.814,23,86,411.799,4.216,4,0.491,0.78,1.0,0.9953395928997327,0.9964361592762662,0.9799448290041807,0.9827890480433144,0.9886274073058734
EOS-4-00124,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1Cl,BOLJSTVHMQMWGU-UHFFFAOYSA-N,4,1,0.814,23,86,411.799,4.216,4,0.491,0.8,1.0,0.9957850729901995,0.9986464258789665,0.9799533959289973,0.982797614968131,0.9892956274415736
EOS-4-00125,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)cn1,XMDJHCZSLCRKDI-UHFFFAOYSA-N,4,1,0.381,68,364,436.8,4.875,4,0.417,0.67,1.0,0.46746281954629565,0.6369508601192516,0.9754900280995134,0.9489925296415599,0.7572240593516552
EOS-4-00126,Fc1nc(C(F)F)ccc1-c1nnc2cncc(Cc3cc(C(F)(F)F)nc(C(F)F)n3)n12,XQAWDOPUEVVIEV-UHFFFAOYSA-N,4,1,0.41,66,455,475.303,4.6,4,0.31,0.49,0.382,0.492418271537249,0.6369594270440683,0.9870211089027483,0.956831265848811,0.7683075183332191
EOS-4-00128,Fc1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1-c1ncccn1,MZZSMVOHQHOHHU-UHFFFAOYSA-N,4,1,0.55,59,332,450.836,4.759,5,0.384,0.73,1.0,0.9716177780823796,0.9635306010554452,0.9132513193064218,0.9289287917209239,0.9443321225412926
EOS-4-00129,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,AKQPTZOZAHWREU-UHFFFAOYSA-N,4,1,0.417,66,364,420.345,4.303,4,0.461,0.71,1.0,0.48987389486669863,0.5557449797820574,0.9892399424302653,0.9554691248029608,0.7475819854704955
EOS-4-00130,Fc1cc(OC(F)F)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,QZRAVHILKJUGMV-UHFFFAOYSA-N,4,1,0.692,90,305,435.793,4.202,4,0.433,0.72,1.0,0.9747104379411966,0.9858817079021315,0.9505088753341101,0.9490010965663765,0.9650255294359538
EOS-4-00131,Fc1cc(C(c2ccncc2)c2cncc3nnc(-c4ccc(Cl)nc4)n23)ccc1Cl,VXDMRMIKODMBPI-UHFFFAOYSA-N,4,1,0.413,14,358,451.292,5.207,5,0.351,0.57,1.0,0.3834898224933178,0.6271502981289836,0.9815896785689808,0.9882890137756151,0.7451297032417243
EOS-4-00132,Fc1cc(-c2nnc3cncc(-c4ncnc(-c5ccncc5)n4)n23)ccc1C(F)(F)F,XTBXHLVWEODAMM-UHFFFAOYSA-N,4,1,0.351,29,704,438.348,3.863,5,0.395,0.78,1.0,0.44652525529435955,0.5946388184497293,0.9493609074086766,0.9108440134329381,0.7253422486464258
EOS-4-00133,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4F)n23)c1,JZMKYFXKHXIXFZ-UHFFFAOYSA-N,4,1,0.489,59,146,452.371,4.384,5,0.291,0.73,1.0,0.8960232335001028,0.9144249880063052,0.9291172640668905,0.932638270166541,0.9180509389349599
EOS-4-00134,Fc1cncc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ccn2)c1,KPVYPZUEDVCVDP-UHFFFAOYSA-N,4,1,0.477,13,110,420.354,4.458,5,0.427,0.76,1.0,0.8070043177301076,0.8430111027345624,0.9358508669727914,0.9361250085669248,0.8804978240010966
EOS-4-00135,N#Cc1ccc(-c2nnc3cncc(OCCc4cnc(C(F)(F)F)cn4)n23)cc1Cl,AOAHFMQDDTZFMR-UHFFFAOYSA-N,4,1,0.578,68,127,445.792,3.747,4,0.461,0.72,1.0,0.9317130422863409,0.9652182852443287,0.9644815297100953,0.9318758138578576,0.9483221677746556
EOS-4-00136,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1,MNFKMXORBMXRIP-UHFFFAOYSA-N,4,1,0.727,90,305,417.803,4.063,4,0.451,0.8,1.0,0.9883661160989651,0.9839284490439312,0.9420618874648756,0.9334435610993078,0.96195000342677
EOS-4-00137,Fc1nccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2F)n1,KODWSUVCFCMOKD-UHFFFAOYSA-N,4,1,0.7,88,732,464.863,4.801,5,0.336,0.8,1.0,0.9716263450071962,0.9806558837639641,0.9001953258858201,0.9096703447330546,0.9405369748475088
EOS-4-00138,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccn2)nc1,ZAQLZERBNBCVJL-UHFFFAOYSA-N,4,1,0.53,24,910,434.381,4.245,5,0.412,0.69,1.0,0.9361250085669248,0.8705794667945994,0.9256133918168734,0.9184942772942225,0.9127030361181551
EOS-4-00139,N#Cc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1Cl,KAUMMFSGMPOQCG-UHFFFAOYSA-N,4,1,0.654,23,370,411.799,4.216,4,0.491,0.78,1.0,0.9926667123569324,0.9973099856075663,0.9769121376190802,0.9821465286820643,0.9872588410664107
EOS-4-00140,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cncc(Br)c4)n23)cc1,JZDMPNLITPUQMQ-UHFFFAOYSA-N,4,1,0.75,90,305,462.254,4.172,4,0.411,0.82,1.0,0.987672195188815,0.9797135220341306,0.9105698718388048,0.879925981769584,0.9394703927078336
EOS-4-00141,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1Cl,HSNPNNMTERVWRP-UHFFFAOYSA-N,4,1,0.76,48,305,435.793,4.202,4,0.405,0.77,1.0,0.995536632170516,0.9929751216503324,0.9487098211226098,0.942927146871359,0.9700371804537044
EOS-4-00142,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)c4)n23)nc1,IGUMSVFPJDLCHF-UHFFFAOYSA-N,4,1,0.571,27,343,483.841,4.895,5,0.351,0.69,1.0,0.8468833527516962,0.9304794051127407,0.9711894318415462,0.9460283736549928,0.9236451408402441
EOS-4-00143,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)(F)C(F)(F)F)cc4)n23)cn1,MYQCXAUTXPZWMH-UHFFFAOYSA-N,4,1,0.425,66,364,470.352,4.938,4,0.387,0.59,1.0,0.46266534164896167,0.555753546706874,0.9989548351723665,0.9922983345898156,0.7524180145295044
EOS-4-00144,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)cc1F,UXDBUYLGHXFWIE-UHFFFAOYSA-N,4,1,0.512,34,607,452.371,4.384,5,0.291,0.73,1.0,0.907288739634021,0.9409910218627922,0.970521211705846,0.9675741895689124,0.946593790692893
EOS-4-00146,FC(F)c1ccc(-c2nnc3cncc(Cc4cc(C(F)(F)F)nc(C(F)F)n4)n23)cn1,RURWKCSYCOVDRL-UHFFFAOYSA-N,4,1,0.459,68,455,457.313,4.461,4,0.412,0.58,0.416,0.40103488451785346,0.5797238023439106,0.9836457405249811,0.9429357137961757,0.7268350352957302
EOS-4-00147,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)c(Cl)c1F,YZGBOMXEQORDIX-UHFFFAOYSA-N,4,1,0.622,23,281,422.222,4.393,4,0.353,0.69,1.0,0.9567284627510109,0.9823949695017477,0.9635306010554452,0.9747275717908299,0.9693454012747583
EOS-4-00148,N#Cc1cc(NCc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)ccc1F,MQLHOIDFKWNCGB-UHFFFAOYSA-N,4,1,0.424,66,678,412.35,4.433,4,0.502,0.82,1.0,0.46033513809882803,0.6039424988006306,0.9967103008703996,0.9923069015146323,0.7633237098211226
EOS-4-00149,CC(O)(c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1)C(F)(F)F,HEXHKWLLAIPFFT-UHFFFAOYSA-N,4,1,0.607,48,240,447.392,3.717,4,0.358,0.64,1.0,0.9788225618531972,0.9524364334178603,0.9955280652456994,0.9816582139675142,0.9771113186210678
EOS-4-00150,FC(F)(F)c1cccc(Cc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)c1Cl,FHAAPLHXAFQIRP-UHFFFAOYSA-N,4,1,0.388,14,476,467.842,4.906,5,0.373,0.75,0.876,0.4626739085737784,0.6184120348159825,0.9754985950243301,0.9609947913097114,0.7543948324309506
EOS-4-00151,Fc1c(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccnc1Br,IKBUBBVDLKJDFK-UHFFFAOYSA-N,4,1,0.718,23,281,448.683,4.363,4,0.424,0.73,1.0,0.987183880474265,0.992469673086149,0.8637430607908985,0.8937358645740525,0.9342831197313413
EOS-4-00152,COc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1cccnc1,ZJLPEZHFWSSUEJ-UHFFFAOYSA-N,4,1,0.494,13,209,465.847,5.586,5,0.337,0.72,1.0,0.9215012679048729,0.8992443972311699,0.9600181618806113,0.944503461037626,0.93131682201357
EOS-4-00153,Fc1ccc2nc(-c3cncc4nnc(-c5ccc(Br)cc5C(F)F)n34)ccc2c1,IVFISNPARZHGAE-UHFFFAOYSA-N,4,1,0.333,45,140,470.252,5.846,5,0.332,0.72,0.999,0.4281492015626071,0.7147556713042287,0.9815982454937976,0.9855818655335481,0.7775212459735454
EOS-4-00154,Fc1cc(C(F)(F)F)ccc1-c1nnc2cncc(Cc3ccc(Cl)nn3)n12,ZQPROLFUMIAYNQ-UHFFFAOYSA-N,4,1,0.355,66,225,408.746,3.983,4,0.479,0.7,1.0,0.522976492358303,0.7283256802138305,0.9883318483996985,0.985016448495648,0.80616261736687
EOS-4-00155,Fc1cnc(Cl)c(COc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)c1,RYHNVKNBHVSCNR-UHFFFAOYSA-N,4,1,0.511,59,89,450.836,4.759,5,0.359,0.72,1.0,0.9634877664313618,0.9422760605852923,0.9142536495099719,0.9258189980124735,0.9364591186347749
EOS-4-00156,Cc1cc(-c2nnc3cncc(C(F)(F)c4cncc(F)c4)n23)cnc1C(F)(F)F,VYUUQPRKEAELPU-UHFFFAOYSA-N,4,1,0.367,68,455,424.308,4.188,4,0.462,0.61,0.999,0.38349838941813447,0.5235761770954698,0.9984750873826331,0.9928466177780824,0.7245990679185799
EOS-4-00157,Fc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)c1,KBLLOYZBNVCLBB-UHFFFAOYSA-N,4,1,0.483,59,109,450.836,4.759,5,0.384,0.68,1.0,0.8944126516345693,0.8705880337194161,0.9363477486121582,0.9468593653622096,0.9120519498320883
EOS-4-00158,COc1cc(F)c(Cl)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,CQXCDHQIQZSAFY-UHFFFAOYSA-N,4,1,0.69,23,17,419.243,4.825,4,0.464,0.76,1.0,0.997164347885683,0.9932064286203824,0.9727743129326297,0.9738880131587965,0.9842582756493728
EOS-4-00159,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)ccn2)nc1,JMVPCVBTEGQPPU-UHFFFAOYSA-N,4,1,0.53,59,912,434.381,4.245,5,0.412,0.7,1.0,0.9279521622918238,0.8648139263929819,0.923043314371873,0.9205503392502228,0.9090899355767255
EOS-4-00160,Cc1ccc(-c2nnc3cncc(CCc4ncc(Cl)cc4C(F)(F)F)n23)cn1,AHXWJCQFBBNSPN-UHFFFAOYSA-N,4,1,0.421,68,455,418.81,4.347,4,0.493,0.77,1.0,0.5075474607634843,0.6414913302720855,0.9459341374820095,0.9140908779384552,0.7522659516140087
EOS-4-00161,COC(=O)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)c(F)c4)n23)c(F)c1,KMVBPXQNZGRLDA-UHFFFAOYSA-N,4,1,0.404,48,999,432.333,4.125,4,0.349,0.85,1.0,0.787625933794805,0.8840466726064012,0.9744277294222465,0.9482386402576931,0.8985847440202864
EOS-4-00162,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cccc(Cl)c3F)n12,JEHWBABPYRSRQU-UHFFFAOYSA-N,4,1,0.581,23,627,407.207,4.955,4,0.48,0.82,1.0,0.9753615242272634,0.9696302515249127,0.9880234391062984,0.995202522102666,0.9820544342402852
EOS-4-00163,Fc1c(Cl)ccc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1Cl,ABICUCFMGVSRNP-UHFFFAOYSA-N,4,1,0.622,23,281,438.677,4.907,4,0.327,0.67,1.0,0.9481786717839764,0.9785055856349805,0.9635391679802618,0.9803817421698308,0.9676512918922624
EOS-4-00164,CC(F)(F)c1cnc(Cc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)cn1,JVBZONYYKNMIDK-UHFFFAOYSA-N,4,1,0.365,66,455,420.345,4.361,4,0.449,0.7,1.0,0.4824977725995477,0.6271588650538003,0.9863528887670482,0.9660835446508121,0.7655232677678021
EOS-4-00166,Fc1cnc(-c2cc(F)ccc2-c2nnc3cncc(COc4cccc(F)c4)n23)nc1,NGXWEIZJIDDSNT-UHFFFAOYSA-N,4,1,0.421,34,189,434.381,4.245,5,0.412,0.7,1.0,0.7323007333287643,0.8676324446576656,0.865199438009732,0.8827787677335344,0.8369778459324242
EOS-4-00167,N#Cc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1ccccn1,RJVFHORTYVDDLA-UHFFFAOYSA-N,4,1,0.511,1,709,440.413,4.582,5,0.397,0.71,1.0,0.9536358028921939,0.9200448906860393,0.9531046535535604,0.9445120279624426,0.9428243437735591
EOS-4-00168,N#Cc1ncc(F)c(COc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)n1,LQYNHILNRIKEOQ-UHFFFAOYSA-N,4,1,0.488,90,255,431.765,3.762,4,0.474,0.69,1.0,0.9118206428620382,0.9635391679802618,0.929854019601124,0.9205589061750394,0.9314431841546158
EOS-4-00169,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)ncc1Cl,CIGBQLBNCWSGLK-UHFFFAOYSA-N,4,1,0.556,90,281,454.239,5.191,4,0.401,0.7,1.0,0.9553406209307107,0.9779915701459804,0.9851620862175313,0.9877064628880817,0.976550185045576
EOS-4-00170,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)ccc1Cl,HTLWBHSFJFFHDC-UHFFFAOYSA-N,4,1,0.632,23,86,418.806,4.792,4,0.437,0.78,1.0,0.9850250154204647,0.9929836885751491,0.9844681653073812,0.9850250154204647,0.9868754711808649
EOS-4-00172,N#Cc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1ccccn1,RCTPDVKQGVJHGR-UHFFFAOYSA-N,4,1,0.5,57,709,456.868,5.096,5,0.365,0.68,1.0,0.9499605921458433,0.9504232060859434,0.9464567198958262,0.9516654101843602,0.9496264820779934
EOS-4-00173,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccc2F)nc1,LBBSNLNPXHUXTO-UHFFFAOYSA-N,4,1,0.576,88,595,448.408,4.287,5,0.361,0.73,1.0,0.9772976492358303,0.9722174628195462,0.9086594476046879,0.9027397025563704,0.9402285655541086
EOS-4-00174,N#Cc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(F)c4)n23)ccc1Cl,IGSBTFSMMXHTDI-UHFFFAOYSA-N,4,1,0.598,90,281,429.242,4.125,4,0.444,0.72,1.0,0.9797906243574807,0.9852734562401481,0.9459427044068262,0.9585532177369611,0.967390000685354
EOS-4-00175,Fc1ccc(F)c(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)cn2)c1,NGSPDYJHLUKYHU-UHFFFAOYSA-N,4,1,0.511,88,161,466.398,4.426,5,0.345,0.73,1.0,0.9118292097868549,0.9013604276608869,0.9427558083750257,0.9460369405798095,0.9254955966006442
EOS-4-00176,FC(F)Oc1ccc(-c2nnc3cncc(Cc4nnc5nnc(C(F)(F)F)cc5n4)n23)cc1,RPWSCHCHKIMLJW-UHFFFAOYSA-N,4,1,0.543,66,476,475.341,3.131,5,0.354,0.66,1.0,0.6985898841751764,0.7768487423754369,0.8484425330683298,0.8080666164073744,0.7829869440065793
EOS-4-00177,FC(F)c1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)ccc1Cl,XFOWTWQUZCUMFK-UHFFFAOYSA-N,4,1,0.597,90,708,466.673,5.119,4,0.408,0.78,1.0,0.8493249263244466,0.9583304776917277,0.9731084230004797,0.9685508189980124,0.9373286615036667
EOS-4-00178,FC(F)(F)COc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1,ZJWSVKUVVYZBST-UHFFFAOYSA-N,4,1,0.593,48,305,436.781,3.755,4,0.455,0.81,1.0,0.8776985813172503,0.8814337605373175,0.9474847508738263,0.8966314851620862,0.9008121444726201
EOS-4-00179,N#Cc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1Cl,ZMNXETWCDRKFMW-UHFFFAOYSA-N,4,1,0.603,90,281,429.242,4.125,4,0.474,0.72,1.0,0.9765180590775135,0.9821036940579809,0.9505174422589268,0.9655352614625454,0.9686686142142417
EOS-4-00180,Fc1cc(C(F)F)ccc1-c1nnc2cncc(-c3ccc(Oc4nccnc4F)cn3)n12,TZBODIHHVQYMLX-UHFFFAOYSA-N,4,1,0.34,96,914,453.359,4.651,5,0.358,0.76,1.0,0.6439586046192859,0.8648224933177986,0.9363563155369748,0.9063206771297375,0.8378645226509492
EOS-4-00181,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cn1,NWQYZFAFFDIMBQ-UHFFFAOYSA-N,4,1,0.412,68,364,421.238,4.591,4,0.482,0.72,1.0,0.48500788157083136,0.6757333287643068,0.9272668083064903,0.9096789116578713,0.749421732574875
EOS-4-00182,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,WIPFMHMFGDTRCV-UHFFFAOYSA-N,4,1,0.757,48,305,417.803,4.063,4,0.422,0.85,1.0,0.9936947433349325,0.9893684463025153,0.9393119045987253,0.9258275649372901,0.9620506647933659
EOS-4-00183,Fc1cncc(COc2cncc3nnc(-c4ccc(OCc5ccc(Cl)cc5)cc4)n23)c1,IJZWTWONKPCDEA-UHFFFAOYSA-N,4,1,0.711,57,397,461.884,5.137,5,0.334,0.84,1.0,0.9797991912822973,0.9437067370296758,0.9371359056952916,0.9277979576451237,0.9471099479130971
EOS-4-00184,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C(F)F)c5)n34)cc2F)nc1,WJQWIPDBZHEKEC-UHFFFAOYSA-N,4,1,0.512,73,82,467.386,4.438,5,0.341,0.7,1.0,0.9553491878555274,0.9336234665204578,0.927275375231307,0.8870450962922349,0.9258232814748819
EOS-4-00185,Fc1cncc(Cl)c1COc1cncc2nnc(-c3cccc(-c4ccc(Cl)cn4)c3)n12,UYSHYFIDFJUSSQ-UHFFFAOYSA-N,4,1,0.518,59,980,467.291,5.273,5,0.35,0.76,1.0,0.8777071482420671,0.8619183058049482,0.9180830649030224,0.9429442807209923,0.9001631999177575
EOS-4-00186,Cc1ncc(-c2cc(F)cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)cc1F,NUHIIWXMDLFTKR-UHFFFAOYSA-N,4,1,0.566,57,439,447.42,5.158,5,0.373,0.76,1.0,0.9349427729422246,0.8761651017750668,0.9631193886642451,0.9568398327736276,0.932766774038791
EOS-4-00187,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)c(Cl)c4)n23)c1F,OAKUFQCOJXOEBM-UHFFFAOYSA-N,4,1,0.549,59,630,450.836,4.759,5,0.384,0.72,1.0,0.9160013021725721,0.9573367144129943,0.962091357686245,0.9660921115756288,0.95038037146186
EOS-4-00188,Cc1ncc(-c2cc(COc3cncc4nnc(-c5cc(F)cc(F)c5F)n34)ccc2F)cn1,CPUGLPLEAUREIM-UHFFFAOYSA-N,4,1,0.529,59,607,466.398,4.692,5,0.276,0.69,1.0,0.9072973065588377,0.8946782263038859,0.9666917963127956,0.9541583853060106,0.9307064286203824
EOS-4-00189,Fc1cc(F)cc(COc2cncc3nnc(-c4cc(-c5ccncc5F)ccn4)n23)c1,LCPNAGYZJSWMFO-UHFFFAOYSA-N,4,1,0.464,59,16,434.381,4.245,5,0.412,0.68,1.0,0.7501713384963333,0.6906483448701254,0.9345401274758413,0.9353368514837914,0.8276741655815228
EOS-4-00190,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-n1cc(C(F)(F)F)cn1,ZEGCJWPDQDAPNN-UHFFFAOYSA-N,4,1,0.557,35,619,469.402,4.151,5,0.348,0.69,1.0,0.5407271605784387,0.5850438626550614,0.967788362689329,0.9318843807826742,0.7563609416763759
EOS-4-00191,N#Cc1nc(COc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)ccc1Cl,YYBFARVPMWWPER-UHFFFAOYSA-N,4,1,0.568,23,708,416.75,3.708,4,0.471,0.76,1.0,0.8580888904118977,0.9255448564183401,0.9594698786923446,0.9634706325817285,0.9266435645260777
EOS-4-00192,COCc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1Cl,AYOHZBHYLZTJNW-UHFFFAOYSA-N,4,1,0.767,23,948,430.842,4.491,4,0.432,0.8,1.0,0.9707182509766294,0.9888715646631485,0.967377150298129,0.959898224933178,0.9717162977177711
EOS-4-00193,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1Cl,MQZAZBDPDXGHQW-UHFFFAOYSA-N,4,1,0.622,90,281,429.242,4.125,4,0.444,0.65,1.0,0.966888835583579,0.985042149270098,0.9464652868206429,0.9592128709478446,0.9644022856555411
EOS-4-00194,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccc1F,YFQRXMFNOATQGM-UHFFFAOYSA-N,4,1,0.731,48,305,426.358,3.42,4,0.447,0.78,1.0,0.9889058323624151,0.9919727914467823,0.9142622164347886,0.8756682201357001,0.9427022650949215
EOS-4-00195,N#Cc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ccccc1,USRZAMKAGWPWNS-UHFFFAOYSA-N,4,1,0.615,79,650,421.435,5.048,5,0.397,0.79,1.0,0.9683623466520458,0.9573452813378109,0.9487183880474265,0.9509029538756768,0.95633224247824
EOS-4-00196,Fc1ccc(-c2ncccc2-c2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1F,DSXROGRJVDRPSO-UHFFFAOYSA-N,4,1,0.342,96,46,420.81,4.847,5,0.39,0.74,0.989,0.41407374408882186,0.6614865327941882,0.9345486944006579,0.957422383661161,0.7418828387362072
EOS-4-00197,Fc1cc(C(F)F)ccc1-c1nnc2cncc(CNc3cncc(OC(F)F)c3)n12,ITAMPMOASFXOBR-UHFFFAOYSA-N,4,1,0.396,66,225,436.344,4.477,4,0.431,0.79,1.0,0.530583921595504,0.6321191145226509,0.9873552189705983,0.9751045164827633,0.7812906928928791
EOS-4-00198,N#Cc1cccc(-c2nc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ccc2F)n1,RKYNRORZTFAUDF-UHFFFAOYSA-N,4,1,0.375,13,616,461.819,4.844,5,0.377,0.7,0.991,0.7848245493797547,0.843019669659379,0.8906432047152354,0.912034815982455,0.857630559934206
EOS-4-00200,Fc1cc(CCOc2cncc3nnc(-c4cnc(Cl)nc4F)n23)ccc1Cl,WYKBFGFGYFGQPR-UHFFFAOYSA-N,4,1,0.703,90,281,423.21,3.788,4,0.359,0.73,1.0,0.9561030772393941,0.9535329997943938,0.8735864574052498,0.9108525803577547,0.9235187786991981
EOS-4-00201,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5nccc(F)c5F)n34)c2)cn1,KFIFVQYUPLVOKW-UHFFFAOYSA-N,4,1,0.511,97,962,434.381,4.245,5,0.385,0.72,1.0,0.6777294222465904,0.8061304913988074,0.918091631827839,0.9120433829072716,0.8284987320951271
EOS-4-00202,N#Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)cc1C#N,TZOXRJDIVXZCEM-UHFFFAOYSA-N,4,1,0.453,13,724,485.841,5.321,5,0.338,0.62,1.0,0.9305736412857241,0.927455280652457,0.9807244191624974,0.980013364402714,0.9546916763758482
EOS-4-00203,Fc1cnc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F,RLDFVXYMNYJCNN-UHFFFAOYSA-N,4,1,0.77,90,305,419.338,3.687,4,0.426,0.75,1.0,0.982463504900281,0.9896168871221986,0.9590415324515112,0.9420276197656089,0.9682873860599
EOS-4-00204,N#Cc1ncc(-c2cncc3nnc(-c4ccc(F)cc4F)n23)c(-c2cncc(F)c2)n1,NQKLVNWIOFVNMA-UHFFFAOYSA-N,4,1,0.368,45,575,430.353,3.599,5,0.431,0.77,1.0,0.40313378109793707,0.6517545062024536,0.8534199163868138,0.8857172229456515,0.6985063566582139
EOS-4-00205,Fc1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1-c1cocn1,WAMUJEITKVGDSU-UHFFFAOYSA-N,4,1,0.554,57,13,423.354,4.443,5,0.416,0.63,1.0,0.972637242135563,0.9144335549311219,0.9579792337742444,0.952213693372627,0.9493159310533891
EOS-4-00206,Fc1ccc(-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1-c1cncc(Cl)n1,OOABXRAFRFCVEH-UHFFFAOYSA-N,4,1,0.375,96,315,453.815,5.04,5,0.379,0.73,0.998,0.41408231101363857,0.6467342882598862,0.9307107120827908,0.9429528476458091,0.7336200397505311
EOS-4-00207,CCNCCc1ccc(COc2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)c(F)c1,MHBGKPNMSNSWRE-UHFFFAOYSA-N,4,1,0.541,48,240,477.437,4.819,4,0.291,0.79,1.0,0.8301864162840107,0.7192104722088959,0.9903022411075321,0.9718490850524296,0.8778870536632171
EOS-4-00208,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccncc5)n4)n23)c(F)c1,GXSXBNAXDWJUJM-UHFFFAOYSA-N,4,1,0.443,59,692,434.381,4.245,5,0.412,0.75,1.0,0.7588753341100678,0.7639726543759852,0.9077085189500377,0.9108611472825714,0.8353544136796656
EOS-4-00209,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(C(F)F)c5)n34)nc2)cn1,LICIJWNNXFCJHH-UHFFFAOYSA-N,4,1,0.364,96,274,453.815,5.04,5,0.379,0.74,0.99,0.3903090946473854,0.685705229250908,0.9614745390994449,0.9592214378726612,0.7491775752175999
EOS-4-00210,N#Cc1cc(-c2nnc3cncc(OCCc4cnc(F)c(Br)c4)n23)ccc1Cl,FHCRMEGDBDNDIV-UHFFFAOYSA-N,4,1,0.598,90,281,473.693,4.234,4,0.403,0.76,1.0,0.9753700911520801,0.9839370159687478,0.9238657391542732,0.9289373586457406,0.9530275512302104
EOS-4-00211,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)c(Cl)c3)n12,HUTDPHIOGVMDHG-UHFFFAOYSA-N,4,1,0.612,88,803,464.863,4.801,5,0.359,0.74,1.0,0.9812641354259475,0.9813326708244808,0.8837810979370845,0.9004523336303201,0.9367075594544583
EOS-4-00212,Fc1ccc(CCOc2cncc3nnc(-c4cnc(Cl)nc4)n23)c(Cl)c1F,YZJIFEZMUORNEI-UHFFFAOYSA-N,4,1,0.582,90,811,423.21,3.788,4,0.359,0.69,1.0,0.8670755945445823,0.9448547049551093,0.917294907819889,0.9361335754917415,0.9163396957028305
EOS-4-00213,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)c1,SQFZCJZEFHOSOT-UHFFFAOYSA-N,4,1,0.582,57,326,415.403,4.711,5,0.416,0.85,1.0,0.9103214310191213,0.9083510383112878,0.937821259680625,0.9404855732986087,0.9242448255774107
EOS-4-00214,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)c(F)c4)n23)c1,MQZLCGMZGYYRSC-UHFFFAOYSA-N,4,1,0.582,43,433,434.381,4.245,5,0.412,0.77,1.0,0.9439037763004592,0.9366904256048249,0.9385237475155918,0.9378897950791584,0.9392519361250085
EOS-4-00215,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCc3ccc(F)c(F)c3F)n12,PGJHCPWBOPDVAR-UHFFFAOYSA-N,4,1,0.506,59,13,457.412,5.05,5,0.273,0.73,1.0,0.9147333972997053,0.9144421218559385,0.9755071619491468,0.9718576519772463,0.9441350832705092
EOS-4-00216,Fc1ccc(CCOc2cncc3nnc(-c4ccc(COC(F)F)nc4)n23)cc1F,SPHMDUTVOKTYJH-UHFFFAOYSA-N,4,1,0.805,90,281,433.365,3.825,4,0.394,0.71,0.998,0.9753786580768967,0.9759954766636968,0.9673857172229456,0.94968645055171,0.9671115756288123
EOS-4-00217,Oc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1ccccn1,ZWIVNPDRAWKVFS-UHFFFAOYSA-N,4,1,0.511,57,709,431.402,4.416,5,0.444,0.6,1.0,0.9429785484202591,0.8464635734356796,0.9173034747447056,0.9015317661572202,0.9020693406894661
EOS-4-00218,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)ccc1Cl,RCSGQUZFCHXZQA-UHFFFAOYSA-N,4,1,0.833,48,231,454.715,4.7,4,0.437,0.81,1.0,0.9908333904461655,0.9955708998697828,0.9405883763964088,0.9490096634911932,0.9690005825508876
EOS-4-00219,OCc1cc(-c2nnc3cncc(OCCc4cc(F)ncc4F)n23)ccc1Cl,SHBJGWHJUGFQBM-UHFFFAOYSA-N,4,1,0.593,90,281,417.803,3.232,4,0.485,0.68,1.0,0.9188026865876225,0.9492752381605098,0.9281235007881571,0.9247566993352067,0.930239531217874
EOS-4-00220,N#Cc1ncc(NCc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1F,FENGSKUFKVFLIT-UHFFFAOYSA-N,4,1,0.404,66,225,413.338,3.828,4,0.512,0.78,1.0,0.367366869988349,0.4066205194983209,0.9880320060311151,0.9670858748543623,0.6822763175930369
EOS-4-00221,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)c(Cl)c4)n23)c1,PBKCWRUDIUXCAW-UHFFFAOYSA-N,4,1,0.747,91,222,445.885,5.267,5,0.356,0.85,1.0,0.9609605236104448,0.9696388184497293,0.9220581180179562,0.9370673702967582,0.9474312075937221
EOS-4-00223,FC(F)c1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1Cl,DXWIPOVZLFLUGX-UHFFFAOYSA-N,4,1,0.597,90,708,422.222,5.01,4,0.453,0.75,1.0,0.8627749982866151,0.9583390446165444,0.9807329860873141,0.9833373312315811,0.9462960900555136
EOS-4-00224,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1Cl,FBVCQDMOQONUMF-UHFFFAOYSA-N,4,1,0.696,90,305,452.248,4.716,4,0.404,0.73,1.0,0.9753872250017134,0.9764923583030636,0.9545181961483106,0.957962099924611,0.9660899698444246
EOS-4-00225,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2Cl)cc1,ZHIJKXAVJWZBCC-UHFFFAOYSA-N,4,1,0.558,91,883,461.884,4.973,5,0.384,0.77,1.0,0.9465252552943595,0.9460026728805428,0.915410184360222,0.9185028442190392,0.9316102391885409
EOS-4-00226,CC(F)(F)c1ncc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,PHMYPACAFFOWLG-UHFFFAOYSA-N,4,1,0.726,90,811,434.809,4.107,4,0.454,0.7,1.0,0.922786306627373,0.9366989925296415,0.9115979028168049,0.85006168185868,0.9052862209581248
EOS-4-00227,CC(c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)cc1)C(F)(F)F,PIYBJTBYLXGLJN-UHFFFAOYSA-N,4,1,0.563,66,12,456.403,4.484,4,0.398,0.68,1.0,0.9761496813103968,0.966734630936879,0.9859331094510314,0.962194160784045,0.9727528956205881
EOS-4-00228,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(OC(F)(F)F)cc5F)n34)cc2)cn1,RTHWUHHDGIRWKG-UHFFFAOYSA-N,4,1,0.547,43,431,484.413,4.809,5,0.322,0.75,1.0,0.835078130354328,0.8840552395312179,0.9889829346857651,0.9685593859228291,0.9191689226235351
EOS-4-00229,FC(F)(F)c1cc(-c2nnc3cncc(Cc4ccc(CN5CCCC5)nc4)n23)ccc1Cl,QUERGHCLANCYAO-UHFFFAOYSA-N,4,1,0.378,66,685,472.902,5.045,5,0.407,0.82,0.994,0.37887225001713387,0.5513158796518401,0.6263621410458502,0.795233363032006,0.5879459084367076
EOS-4-00230,N#Cc1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1ncc(F)cn1,HNCCINSOYCAASY-UHFFFAOYSA-N,4,1,0.472,73,82,460.379,3.511,5,0.366,0.61,1.0,0.9545096292234939,0.9164724830374888,0.8624237543691317,0.8427540949900624,0.8940399904050442
EOS-4-00231,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(OCC5CC5)nc4)n23)cc1,QQPPLJFNUHREBN-UHFFFAOYSA-N,4,1,0.667,48,305,439.422,4.156,5,0.387,0.79,1.0,0.8557244191624974,0.7811579055582208,0.6886950860119252,0.7062658488109108,0.7579608148858885
EOS-4-00232,Fc1cc(-c2nnccc2-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)ccc1Cl,LEBFLZPKZODNAO-UHFFFAOYSA-N,4,1,0.343,22,730,472.793,4.517,5,0.356,0.64,1.0,0.39031766157220205,0.6271674319786169,0.964927009800562,0.9561716126379275,0.7346459289973271
EOS-4-00233,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)ccc2F)nc1,FKEYCDJBDMUOPO-UHFFFAOYSA-N,4,1,0.494,34,71,452.371,4.384,5,0.291,0.69,1.0,0.8516379960249468,0.920053457610856,0.9452402165718594,0.9460455075046261,0.9157442944280721
EOS-4-00234,FC(F)Oc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,RMTZLDKCDJSKRJ-UHFFFAOYSA-N,4,1,0.654,90,400,452.248,4.716,4,0.404,0.72,1.0,0.9804674114179974,0.9839455828935645,0.9557432663970941,0.9592300047974779,0.9698465663765334
EOS-4-00235,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cc1,LRKIXRDJPOKSED-UHFFFAOYSA-N,4,1,0.76,48,305,452.248,4.716,4,0.378,0.8,1.0,0.9947484750873826,0.9900880679871154,0.9493694743334933,0.9534644643958604,0.9719176204509629
EOS-4-00236,N#Cc1cnc(NCc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1F,SAOOPOGFLPNUOE-UHFFFAOYSA-N,4,1,0.409,66,225,413.338,3.828,4,0.512,0.77,1.0,0.38576005756973475,0.37825543143033374,0.9896597217462819,0.9730912891508464,0.6816916249742992
EOS-4-00237,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,HEXHNFJYNMHJSH-UHFFFAOYSA-N,4,1,0.589,68,364,418.354,3.885,4,0.442,0.75,1.0,0.7232540607223631,0.7976920704543897,0.9378298266054417,0.8518093345212803,0.8276463230758687
EOS-4-00238,CN(Cc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12)c1ccc(C#N)c(Cl)n1,VCWLCSVNJMYOSR-UHFFFAOYSA-N,4,1,0.441,66,225,443.82,4.367,4,0.436,0.76,1.0,0.3967171544102529,0.4735624700157631,0.9744362963470633,0.9452573504214927,0.6974933177986431
EOS-4-00239,Fc1nc(C(F)F)ccc1-c1nnc2cncc(-c3cnc(-c4cncnc4)c(F)c3F)n12,DTYJNBJIZRURKG-UHFFFAOYSA-N,4,1,0.337,50,243,456.338,4.06,5,0.297,0.48,1.0,0.3835069563429511,0.57450654513056,0.9378383935302583,0.9217582756493728,0.7044025426632856
EOS-4-00240,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5c(F)ccnc5F)n34)ccn2)c(F)c1,ZLDOWWMTIXJIGD-UHFFFAOYSA-N,4,1,0.466,73,577,453.359,3.779,5,0.296,0.61,1.0,0.8992529641559865,0.8137207867863752,0.8826673977109177,0.8784524707011171,0.8685234048385991
EOS-4-00241,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4c(F)cccc4F)nc3F)n12,UVIRXIBPLIYFNY-UHFFFAOYSA-N,4,1,0.547,88,222,466.398,4.426,5,0.272,0.69,1.0,0.9400229593585087,0.9437153039544925,0.9238743060790898,0.9258361318621068,0.9333621753135495
EOS-4-00242,Fc1cccc(-c2cncnc2-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)c1,XNTLWHHARPHIMR-UHFFFAOYSA-N,4,1,0.318,50,978,438.348,3.863,5,0.395,0.79,0.578,0.28304262901788774,0.4515968747858269,0.9338033719416079,0.9194623397985059,0.6469763038859571
EOS-4-00244,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c1,BAGXVACVAHYDEZ-UHFFFAOYSA-N,4,1,0.726,23,906,404.779,4.484,4,0.46,0.76,1.0,0.972251730518813,0.9824035364265643,0.9769207045438969,0.9852905900897814,0.9792166403947639
EOS-4-00245,Fc1nc(F)c(Br)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,OLIIAOAVTNUCAP-UHFFFAOYSA-N,4,1,0.6,90,708,453.634,3.854,4,0.345,0.8,1.0,0.9465338222191763,0.9765009252278802,0.7331916935096977,0.8103282845589748,0.8666386813789323
EOS-4-00246,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(F)c1F,QTJBCCCSXRAQCO-UHFFFAOYSA-N,4,1,0.575,57,951,439.422,4.911,5,0.364,0.68,1.0,0.9634963333561785,0.9291172640668905,0.956831265848811,0.9452659173463094,0.9486776951545473
EOS-4-00247,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccc1Br,RZVYQJAVQZVBBI-UHFFFAOYSA-N,4,1,0.806,23,281,448.683,4.363,4,0.424,0.78,1.0,0.9761582482352135,0.9835857720512645,0.9035192927146871,0.9173634432184223,0.9451566890548969
EOS-4-00248,Fc1ccc(-c2nnc3cncc(OCc4ccc(OC(F)F)nc4)n23)cc1-c1ncco1,UMQRFQUUETXGPU-UHFFFAOYSA-N,4,1,0.522,97,666,454.368,4.161,5,0.361,0.69,1.0,0.9481872387087931,0.8969655952299362,0.9035278596395038,0.8408779384552121,0.8973896580083613
EOS-4-00249,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc(C(F)F)c1,UQVFNWSRUVZIDD-UHFFFAOYSA-N,4,1,0.735,23,17,404.779,5.1,4,0.464,0.83,1.0,0.9965903639229662,0.9946456719895826,0.9934377355904325,0.9955537660201494,0.9950568843807828
EOS-4-00250,Fc1cccc(Cl)c1-c1nnc2cncc(OCc3ccc(C(F)F)nc3)n12,NJOZZAOLPHNBAY-UHFFFAOYSA-N,4,1,0.592,90,255,405.767,4.495,4,0.489,0.78,1.0,0.9007436090740868,0.9236944006579398,0.9702470701117127,0.9655438283873621,0.9400572270577753
EOS-4-00251,Fc1ccc(-c2nnc3cncc(C(F)(F)Cc4ccc(F)c(Cl)c4)n23)nc1,HGLZCBVLVBIZAX-UHFFFAOYSA-N,4,1,0.416,23,225,407.758,4.452,4,0.469,0.76,1.0,0.42571619491467344,0.5991707216777465,0.9944914673428826,0.9960249468850662,0.7538508327050922
EOS-4-00252,Fc1cc(-c2ncccc2F)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,OYTXSQMLZSPIIH-UHFFFAOYSA-N,4,1,0.565,59,439,452.371,4.384,5,0.291,0.73,1.0,0.7138390103488452,0.7896819957508053,0.9345572613254746,0.9361421424165581,0.8435551024604209
EOS-4-00253,Fc1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)c(F)c1F,ZVOSFRJOOKEPCF-UHFFFAOYSA-N,4,1,0.34,45,914,439.332,3.992,5,0.309,0.68,1.0,0.6043108765677473,0.8253889383866767,0.9035364265643204,0.8813395243643342,0.8036439414707697
EOS-4-00254,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)ccn2)c1,MYPVJKIEFYPLON-UHFFFAOYSA-N,4,1,0.488,2,980,435.369,3.64,5,0.416,0.64,1.0,0.8670841614693989,0.8175844698786924,0.8708193406894661,0.8633318483996985,0.854704955109314
EOS-4-00255,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1Cl,LHVUSBOLPQUPIG-UHFFFAOYSA-N,4,1,0.824,23,86,417.271,5.167,4,0.45,0.85,1.0,0.9909961620176821,0.9944657665684326,0.9699129600438626,0.9783685148379138,0.9834358508669727
EOS-4-00256,Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1Cl,HHLFCIQSIJXQOD-UHFFFAOYSA-N,4,1,0.824,23,86,417.271,5.167,4,0.45,0.81,1.0,0.9911417997395655,0.9942601603728326,0.9699215269686793,0.9783770817627304,0.9834251422109519
EOS-4-00257,OCc1cc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)ccc1F,JJXYWRBQRVVFRW-UHFFFAOYSA-N,4,1,0.809,48,231,443.276,3.807,4,0.491,0.83,1.0,0.9807415530121307,0.952445000342677,0.9154187512850387,0.8979165238845864,0.9366304571311083
EOS-4-00258,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccnc(C(F)(F)F)c5)n34)nc2)cn1,YPHANBGQPQKTAZ-UHFFFAOYSA-N,4,1,0.4,50,274,438.348,3.863,5,0.395,0.71,1.0,0.38808169419505173,0.5280224110753204,0.9459512713316428,0.8857257898704681,0.6869452916181208
EOS-4-00259,NCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1Cl,SIIAUOPCPSFDIN-UHFFFAOYSA-N,4,1,0.789,23,86,432.286,4.317,4,0.491,0.83,1.0,0.9664347885682956,0.9124117606743883,0.9511428277705435,0.9634791995065451,0.9483671441299432
EOS-4-00260,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1-c1ncccn1,ZOOXELSHAKHWPD-UHFFFAOYSA-N,4,1,0.529,59,293,448.408,4.553,5,0.367,0.75,1.0,0.9418048797203755,0.9083596052361045,0.9264358165992735,0.8951494071688026,0.917937427181139
EOS-4-00261,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5nccnn5)c(F)c4)n23)cc1Cl,AEFGNMRMNLOSCQ-UHFFFAOYSA-N,4,1,0.632,13,573,437.797,4.367,5,0.412,0.77,1.0,0.9370930710712083,0.9352340483859913,0.8895552052635186,0.9129600438626551,0.9187105921458434
EOS-4-00262,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)cc2)cn1,NHOKYPWAOQNLES-UHFFFAOYSA-N,4,1,0.531,73,980,451.824,4.154,5,0.396,0.61,1.0,0.9439123432252758,0.9200620245356727,0.8667671852511822,0.8715046946747995,0.9005615619217326
EOS-4-00263,N#Cc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1cccnn1,SPYXMPPBUDHZLD-UHFFFAOYSA-N,4,1,0.443,13,724,461.819,4.844,5,0.377,0.65,1.0,0.9118377767116715,0.935242615310808,0.9531132204783771,0.9534730313206772,0.9384166609553835
EOS-4-00264,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cn4)c3)n12,WUUQRYDFNBKXFT-UHFFFAOYSA-N,4,1,0.512,59,332,467.291,5.273,5,0.35,0.77,1.0,0.9254420533205401,0.9013689945857035,0.9154273182098553,0.9420361866904257,0.9210686382016311
EOS-4-00265,FC(F)c1ccc(COc2cncc3nnc(COc4cccc(Cl)c4Cl)n23)nc1,LNGCHSFXIXHNCQ-UHFFFAOYSA-N,4,1,0.389,90,255,452.248,4.922,4,0.396,0.73,0.989,0.3903262284970187,0.2695925570557193,0.9640017819203619,0.9599067918579947,0.6459568398327736
EOS-4-00266,Fc1ccc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)cc1-c1ccccn1,VEYVOJFGRIMPEL-UHFFFAOYSA-N,4,1,0.529,59,71,434.381,4.245,5,0.412,0.7,1.0,0.8670927283942156,0.8992529641559865,0.9024484271126036,0.9015403330820368,0.8925836131862107
EOS-4-00267,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)ccn1,VKEIZFMMAKFSMQ-UHFFFAOYSA-N,4,1,0.585,97,71,450.836,4.759,5,0.359,0.66,1.0,0.827984716606127,0.9291258309917072,0.9329295456103077,0.9395689123432253,0.9074022513878418
EOS-4-00268,Cc1ccc(-c2nnc3cncc(OCc4cc(Cl)cc(C(F)(F)F)n4)n23)cn1,DRQMEJFGAUTDLD-UHFFFAOYSA-N,4,1,0.557,68,127,420.782,4.141,4,0.493,0.8,1.0,0.8350866972791446,0.9063463779041875,0.9610718936330614,0.9039904735796038,0.9016238605989993
EOS-4-00269,Fc1nccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cc2F)n1,KLONFRYKCBWFGI-UHFFFAOYSA-N,4,1,0.506,73,526,469.814,4.293,5,0.354,0.65,1.0,0.9040247412788706,0.9083681721609211,0.8919882119114523,0.8991758618326365,0.9008892467959702
EOS-4-00270,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1F,VKYBNRKMEZQYIG-UHFFFAOYSA-N,4,1,0.562,57,951,439.422,4.911,5,0.364,0.69,1.0,0.9629052155438284,0.9274638475772736,0.9487269549722431,0.9413079980810088,0.9451010040435885
EOS-4-00271,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1C(F)F,CDEPHMOEYGOHHY-UHFFFAOYSA-N,4,1,0.605,90,400,419.794,4.538,4,0.459,0.71,1.0,0.9590158316770612,0.9740079501062299,0.967068741004729,0.9640703173188953,0.9660407100267288
EOS-4-00272,Fc1cc(CCOc2cncc3nnc(-c4cnc(C5CC5)c(F)c4)n23)ccc1Cl,DCMPJYNRLFFCIR-UHFFFAOYSA-N,4,1,0.731,90,281,427.842,4.617,5,0.449,0.82,1.0,0.9391491330272086,0.9380868343499418,0.7380834075800151,0.8585172366527312,0.8684591529024741
EOS-4-00273,Fc1cnc(C2CC2)nc1COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,STKSUQJTVZDZGB-UHFFFAOYSA-N,4,1,0.614,68,305,428.374,3.778,5,0.443,0.66,1.0,0.8757538893838668,0.9437238708793092,0.47524158727983,0.5868000822424783,0.7203798574463711
EOS-4-00274,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cnnc(Cl)c1,YUJUCGZKKZFQFB-UHFFFAOYSA-N,4,1,0.671,34,146,467.291,5.273,5,0.35,0.76,1.0,0.9765266260023302,0.9871410458501816,0.9487355218970598,0.9661006785004455,0.9696259680625043
EOS-4-00275,Fc1nc(C(F)F)ccc1-c1nnc2cncc(-c3ccc(Oc4cnccn4)nc3)n12,REOBUKYZYDWFJS-UHFFFAOYSA-N,4,1,0.341,82,243,436.357,3.907,5,0.382,0.62,1.0,0.5644404084709752,0.7468902062915496,0.7976064012062231,0.6868531971763416,0.6989475532862723
EOS-4-00276,CC(O)(c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)cc1)C(F)(F)F,XNMREQWBIQHTNU-UHFFFAOYSA-N,4,1,0.551,66,12,472.402,3.588,4,0.427,0.65,0.999,0.977306216160647,0.9643787266122953,0.9927352477554657,0.9710180933452128,0.9763595709684052
EOS-4-00277,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)cc1C(F)(F)F,PCPXJYKHEKTORY-UHFFFAOYSA-N,4,1,0.549,24,912,472.427,5.047,5,0.333,0.67,1.0,0.8852289082311013,0.8292097868549105,0.9769292714687136,0.9436382016311425,0.9087515420464669
EOS-4-00278,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1-c1ccccc1,MWQVQWLAUDNUQD-UHFFFAOYSA-N,4,1,0.61,57,660,429.43,4.753,5,0.365,0.79,1.0,0.9807501199369474,0.9667431978616956,0.8883986704132685,0.8951579740936193,0.9327624905763827
EOS-4-00279,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cccc(-c4cnccn4)c3)n12,XDABXRIRZMHBJM-UHFFFAOYSA-N,4,1,0.542,97,521,432.846,4.62,5,0.403,0.78,1.0,0.8795062024535673,0.8867538208484682,0.8968113905832362,0.9015489000068535,0.8911550784730312
EOS-4-00280,OCc1cc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)ccc1Cl,BLAYSHMZQARRGR-UHFFFAOYSA-N,4,1,0.809,48,231,459.731,4.321,4,0.465,0.79,1.0,0.979807758207114,0.9810071276814475,0.9162583099170721,0.9185114111438558,0.9488961517373724
EOS-4-00281,Fc1nc(C(F)F)ccc1-c1nnc2cncc(CNc3cccc(OC(F)F)c3)n12,IBBACYSYETUWRE-UHFFFAOYSA-N,4,1,0.429,66,225,436.344,4.477,4,0.34,0.72,1.0,0.42333458981563976,0.6226783633746831,0.9723716674662464,0.9445205948872593,0.7407263038859571
EOS-4-00282,FC(F)(F)c1cc(CCOc2cncc3nnc(-c4cnc(C5CC5)nc4)n23)ccn1,LGQCTFYQVGTQOO-UHFFFAOYSA-N,4,1,0.539,68,811,427.39,3.494,5,0.465,0.67,1.0,0.7294136796655473,0.7639812213008018,0.5476663696799396,0.4981923788636831,0.6348134123774929
EOS-4-00283,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)c2)nc1,NJHOZBPYAYIECH-UHFFFAOYSA-N,4,1,0.438,59,692,450.836,4.759,5,0.384,0.71,1.0,0.764855047632102,0.7511822356247002,0.9190682612569392,0.9344287574532246,0.8423835754917416
EOS-4-00284,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5cscn5)c4)n23)c(F)c1,UUZSVWVGOGDDMN-UHFFFAOYSA-N,4,1,0.494,13,145,425.395,5.124,5,0.4,0.75,1.0,0.8627835652114317,0.8969741621547529,0.9505260091837434,0.9534815982454938,0.9159413336988556
EOS-4-00285,N#Cc1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ccc1Cl,HKPHXNHUNIKRAO-UHFFFAOYSA-N,4,1,0.603,90,281,412.787,3.611,4,0.497,0.68,1.0,0.9773147830854636,0.9835943389760812,0.94996915907066,0.9561801795627441,0.9667646151737372
EOS-4-00286,Fc1cc(Br)ccc1CCOc1cncc2nnc(-c3ccc(Cl)nc3)n12,CNAZBUONNREVDN-UHFFFAOYSA-N,4,1,0.618,90,281,448.683,4.363,4,0.424,0.76,1.0,0.9338376396408745,0.9788910972517305,0.8931447467617024,0.9140994448632719,0.9299932321293949
EOS-4-00287,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)c1,JOWKHMXGOAVWHE-UHFFFAOYSA-N,4,1,0.46,2,980,435.369,3.64,5,0.416,0.65,1.0,0.8279932835309437,0.789690562675622,0.8503358234528133,0.8482197930230965,0.8290598656706188
EOS-4-00288,COc1c(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)ccc(F)c1-c1ccccn1,PTCKEVXUZYFREM-UHFFFAOYSA-N,4,1,0.489,57,146,479.874,5.373,5,0.326,0.77,1.0,0.9408539510657254,0.8992615310808032,0.932149955451991,0.9205674730998561,0.9232082276745939
EOS-4-00289,Fc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1nccs1,OGQBWRJTGXUQJS-UHFFFAOYSA-N,4,1,0.481,13,724,459.84,5.778,5,0.341,0.73,1.0,0.9103299979439381,0.9322356247001576,0.9606007127681447,0.9655523953121787,0.9421796826811049
EOS-4-00290,FC(F)Oc1ccc(-c2ccc(-c3nnc4cncc(Br)n34)cn2)cc1,QSUASFVKPUUMKG-UHFFFAOYSA-N,4,1,0.71,68,861,418.201,4.217,4,0.497,0.84,1.0,0.5459615516414228,0.6369679939688849,0.9393204715235419,0.9318929477074909,0.7635357412103352
EOS-4-00291,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)c1,LYPAVIXTZXFTQF-UHFFFAOYSA-N,4,1,0.583,34,71,434.381,4.245,5,0.385,0.79,1.0,0.8580974573367144,0.8761736686998834,0.8968199575080529,0.8923651566033857,0.8808640600370091
EOS-4-00292,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1OC(F)F,ACUHJTIXDAZMAA-UHFFFAOYSA-N,4,1,0.663,90,305,442.813,3.934,4,0.427,0.7,1.0,0.9640617503940785,0.969647385374546,0.939885888561442,0.9238143376053731,0.9493523404838599
EOS-4-00293,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)c(Cl)c1F,NTVAKIWZEKTWHW-UHFFFAOYSA-N,4,1,0.466,73,577,469.814,4.293,5,0.28,0.67,1.0,0.8923480227537524,0.9367075594544583,0.9046415598656706,0.9004609005551367,0.9085395106572545
EOS-4-00294,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,ZLXXGSCCSAXTLR-UHFFFAOYSA-N,4,1,0.575,57,951,439.422,4.911,5,0.364,0.67,1.0,0.9418134466451923,0.9218953464464396,0.951802480981427,0.9436467685559592,0.9397895106572545
EOS-4-00295,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)c2)nc1,NTZGQKMEJQRXFF-UHFFFAOYSA-N,4,1,0.512,73,82,451.824,4.154,5,0.396,0.67,1.0,0.8627921321362484,0.8360290590089782,0.8388647111232952,0.8482283599479131,0.8464785655541087
EOS-4-00296,Fc1ccc(COc2cncc3nnc(-c4cc(F)nc(-c5cnccn5)c4)n23)c(F)c1,WMZCGYZHFZCRPB-UHFFFAOYSA-N,4,1,0.518,59,540,435.369,3.64,5,0.389,0.68,1.0,0.8253718045370434,0.8215081214447262,0.8680779247481324,0.8585258035775478,0.8433709135768624
EOS-4-00297,Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)F)cc4Cl)n23)nc1,AEUUSZYNPJBHMQ-UHFFFAOYSA-N,4,1,0.568,90,281,419.794,4.538,4,0.459,0.72,1.0,0.9567370296758275,0.9734510999931465,0.9640103488451786,0.9634877664313618,0.9644215612363786
EOS-4-00298,Fc1ccc(NCc2cncc3nnc(-c4cnc(C(F)F)c(Cl)c4)n23)c(F)c1,JJYSDKLLBYSVAC-UHFFFAOYSA-N,4,1,0.351,23,678,422.773,4.668,4,0.473,0.83,1.0,0.2589781372078679,0.39700842985401963,0.9691847714344459,0.9661092454252621,0.6478201459803989
EOS-4-00299,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)ccn2)nc1,VLTVNJYSNGLRNT-UHFFFAOYSA-N,4,1,0.524,73,665,453.359,3.779,5,0.296,0.58,1.0,0.8869936947433349,0.8496933040915633,0.9046501267904873,0.8951665410184361,0.8841259166609553
EOS-4-00300,CC(C)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,WIOMGGPSUWQPRO-UHFFFAOYSA-N,4,1,0.417,66,364,416.382,4.396,4,0.462,0.79,1.0,0.48732951819614834,0.532520046604071,0.9677969296141457,0.8784610376259337,0.7165268830100746
EOS-4-00301,Cc1ncc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ccc(C(F)(F)F)cn4)n23)n1,RXOTXSUYVWIFAW-UHFFFAOYSA-N,4,1,0.31,96,315,451.387,4.777,5,0.368,0.8,1.0,0.2773798917140703,0.4692875745322459,0.9614831060242616,0.9420447536152423,0.662548831471455
EOS-4-00302,COc1cc(-c2nnc3cncc(-c4ccc(C(F)F)nc4F)n23)ccc1-c1ccccn1,JHBHSCPLRUUCFF-UHFFFAOYSA-N,4,1,0.364,96,697,448.408,5.001,5,0.352,0.66,1.0,0.509903365088068,0.5991792886025632,0.9272839421561236,0.8682149955451991,0.7261453978479886
EOS-4-00303,Clc1ccc(-c2nnc3cncc(OCc4ccc(Br)c(Cl)c4)n23)cn1,DOUFQAWXYLCUEK-UHFFFAOYSA-N,4,1,0.746,90,255,451.111,4.835,4,0.416,0.75,1.0,0.9266928243437735,0.9602409019258447,0.9352683160852581,0.9574309505859776,0.9449082482352135
EOS-4-00304,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)cc1Cl,RROLPCMSBZULDL-UHFFFAOYSA-N,4,1,0.556,13,995,418.819,4.833,5,0.416,0.74,1.0,0.8401154821465286,0.8020355013364403,0.8850490028099514,0.9039990405044205,0.8577997566993352
EOS-4-00305,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cn1,VXMMGJDJYJBDGL-UHFFFAOYSA-N,4,1,0.514,68,364,421.333,3.698,4,0.468,0.63,1.0,0.3811767527928175,0.5372575560276883,0.9644900966349119,0.8518179014460969,0.6836855767253787
EOS-4-00306,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)ccn2)nc1,IBTOCGUAEBGFCV-UHFFFAOYSA-N,4,1,0.68,73,665,435.369,3.64,5,0.416,0.72,1.0,0.947313412377493,0.8814423274621342,0.8356692481666781,0.8247035844013433,0.8722821431019122
EOS-4-00307,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)c2)nc1,UXQBOLREJSSUOR-UHFFFAOYSA-N,4,1,0.466,2,422,435.369,3.64,5,0.389,0.61,1.0,0.8468919196765129,0.7854156671921048,0.8547991912822973,0.8328678637516277,0.8299936604756357
EOS-4-00308,Oc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1ccccc1,PUNZIYLSPVWGAF-UHFFFAOYSA-N,4,1,0.545,91,660,445.429,4.459,5,0.389,0.68,1.0,0.9418220135700089,0.8867623877732849,0.8813823589884175,0.8619097388801316,0.8929691248029608
EOS-4-00309,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccccc5F)c4)n23)c1,FLTIPMPPKPMOJK-UHFFFAOYSA-N,4,1,0.557,11,595,464.863,4.801,5,0.336,0.7,1.0,0.9609690905352615,0.942284627510109,0.8761993694743335,0.902748269481187,0.9205503392502228
EOS-4-00310,COc1ccc(COc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)cc1C#N,QJPBDBAWYURQTC-UHFFFAOYSA-N,4,1,0.518,23,255,411.343,3.668,4,0.466,0.78,1.0,0.9576108560071277,0.9291343979165239,0.9772376807621136,0.9554776917277774,0.9548651566033857
EOS-4-00311,Fc1cc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)cc1F,DWCGDIFSOVQHOG-UHFFFAOYSA-N,4,1,0.53,59,577,435.369,3.64,5,0.389,0.63,1.0,0.8795147693783839,0.8430282365841958,0.857874717291481,0.8349324926324446,0.8538375539716263
EOS-4-00312,Fc1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)nc1Cl,JRBLSABTAQGVJA-UHFFFAOYSA-N,4,1,0.458,68,255,408.727,3.768,4,0.464,0.8,1.0,0.9087365499280379,0.9395432115687753,0.9345658282502913,0.9141080117880885,0.9242384003837982
EOS-4-00314,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c1Cl,IAMLUQFFMIIFKX-UHFFFAOYSA-N,4,1,0.537,97,183,432.846,4.62,5,0.403,0.75,1.0,0.8280018504557604,0.802044068261257,0.9013175930368035,0.905198409978754,0.8591404804331437
EOS-4-00315,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)c(Cl)n2)c1,QTGJKQYPPDGUQU-UHFFFAOYSA-N,4,1,0.568,11,732,464.863,4.801,5,0.336,0.74,1.0,0.94996915907066,0.9635477349050785,0.8404067575902954,0.8756767870605168,0.9074001096566376
EOS-4-00316,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)c2)nc1,BHIKPJBVTISHKX-UHFFFAOYSA-N,4,1,0.471,2,980,451.824,4.154,5,0.396,0.63,1.0,0.8377081762730451,0.8360376259337948,0.868086491672949,0.8841409087793846,0.8564933006647933
EOS-4-00317,Fc1cc(CCOc2cncc3nnc(-c4cnc(Cl)c(C(F)(F)F)c4)n23)nnc1Cl,WWIJYKZLZBAJRP-UHFFFAOYSA-N,4,1,0.516,68,127,474.205,4.063,4,0.318,0.61,1.0,0.8096686313480913,0.9144506887807553,0.9667003632376122,0.9585617846617778,0.9123453670070591
EOS-4-00318,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,YXMYELPONAIQRJ-UHFFFAOYSA-N,4,1,0.5,13,724,441.85,5.639,5,0.361,0.71,1.0,0.8870022616681515,0.9103985333424713,0.9433811938866424,0.9468679322870263,0.9219124802960729
EOS-4-00319,FC(F)(F)c1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)n1,KXDCVFPXANXPJX-UHFFFAOYSA-N,4,1,0.562,65,981,464.411,3.679,5,0.375,0.56,1.0,0.8200603111507093,0.8430368035090124,0.851946405318347,0.7008087177026935,0.8039630594201906
EOS-4-00320,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,UBCUHFKNYFXJCV-UHFFFAOYSA-N,4,1,0.543,97,183,432.846,4.62,5,0.403,0.79,1.0,0.82538037146186,0.8061390583236242,0.8862398053594681,0.8966400520869029,0.8535998218079638
EOS-4-00322,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cncc5F)n34)cc2F)nc1,YCVHNJLFSCADES-UHFFFAOYSA-N,4,1,0.608,73,559,467.386,3.821,5,0.351,0.69,1.0,0.9707268179014461,0.9593499417449113,0.8562298677266809,0.8567353162908642,0.9107604859159757
EOS-4-00323,N#Cc1ccc(-c2cncc3nnc(-c4ncncc4-c4cc(F)c(F)cc4F)n23)cc1,NNHLHTFKJIYGMS-UHFFFAOYSA-N,4,1,0.361,45,46,429.365,4.204,5,0.399,0.74,0.999,0.4187255842642725,0.5557621136316908,0.9631279555890617,0.9710266602700295,0.7271605784387636
EOS-4-00324,OCc1cc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cnc1F,RRNXHMCAZPYZBC-UHFFFAOYSA-N,4,1,0.398,66,225,403.339,3.427,4,0.417,0.77,0.999,0.5283051195942704,0.7055633609759441,0.9929836885751491,0.9816667808923308,0.8021297375094236
EOS-4-00325,N#CCc1nc(COc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)ccc1F,SPNHLMKCKWJGNY-UHFFFAOYSA-N,4,1,0.566,90,708,414.322,3.388,4,0.367,0.69,0.999,0.790410184360222,0.8590226852169145,0.9439808786238092,0.9395774792680419,0.8832478068672469
EOS-4-00326,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)cc1-c1cscn1,HECBYKYTDIPOAH-UHFFFAOYSA-N,4,1,0.517,59,630,464.432,4.783,5,0.348,0.75,1.0,0.9528990473579604,0.914459255705572,0.9699300938934959,0.9604893427455281,0.949444434925639
EOS-4-00327,Fc1cc(F)c(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)cc1F,MUYADHHWFUDCRA-UHFFFAOYSA-N,4,1,0.536,59,11,439.422,4.911,5,0.364,0.75,1.0,0.8469004866013295,0.8215166883695428,0.9523935987937769,0.9460540744294428,0.891716212048523
EOS-4-00328,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccnc(C(F)(F)F)c4)n23)cn1,LQQWVFUKGHMGQS-UHFFFAOYSA-N,4,1,0.383,68,364,421.333,3.698,4,0.468,0.69,1.0,0.3788808169419505,0.45610307723939414,0.9657665684325955,0.8550304982523473,0.6639452402165719
EOS-4-00329,Clc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4Cl)n23)cc1,ZIKYMUWXAAMVCS-UHFFFAOYSA-N,4,1,0.739,90,281,420.687,4.768,4,0.465,0.76,1.0,0.9846909053526146,0.9830374888629977,0.9154358851346721,0.9628795147693784,0.9615109485299157
EOS-4-00330,FC(F)c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,RVTDCWZEQLDQAY-UHFFFAOYSA-N,4,1,0.605,90,400,436.249,5.052,4,0.423,0.74,1.0,0.9545181961483106,0.9770406414913303,0.9678054965389624,0.9718662189020629,0.9678076382701666
EOS-4-00331,Fc1ccc(Oc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nn5)c4)n23)c(F)c1F,XQGXCQKWISLZRY-UHFFFAOYSA-N,4,1,0.456,13,573,455.787,4.506,5,0.368,0.74,1.0,0.7960986224384895,0.8789065177164005,0.922066684942773,0.9258446987869234,0.8807291309711466
EOS-4-00332,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)c2)n1,XVOXHMKEQSQEDJ-UHFFFAOYSA-N,4,1,0.534,35,161,449.396,3.682,5,0.391,0.68,1.0,0.9361335754917415,0.9472277431293263,0.8356778150914947,0.8247121513261599,0.8859378212596806
EOS-4-00333,Fc1cncc(F)c1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)cn4)c3)n12,TYFBFOHTSFJUQY-UHFFFAOYSA-N,4,1,0.471,2,980,451.824,4.154,5,0.396,0.64,1.0,0.8538910972517305,0.8327136591049277,0.8694571996436159,0.882787334658351,0.8597123226646564
EOS-4-00334,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)c2)cn1,LJGJUBGTGYTPIZ-UHFFFAOYSA-N,4,1,0.473,97,526,435.369,3.64,5,0.308,0.62,1.0,0.7014940716880269,0.7768573093002535,0.8000222740045233,0.7882684531560551,0.7666605270372147
EOS-4-00335,CC(F)(F)c1ncc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cn1,BKQQZLFZWCDJFG-UHFFFAOYSA-N,4,1,0.55,68,900,427.802,3.797,4,0.477,0.59,1.0,0.9241484476732232,0.9573538482626276,0.9105784387636214,0.8308032348708108,0.9057209923925708
EOS-4-00336,Fc1cc(-c2ccncn2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,WEHHAZHXLSYDQN-UHFFFAOYSA-N,4,1,0.54,37,265,449.396,3.682,5,0.391,0.58,1.0,0.9465423891439929,0.9274724145020903,0.8652080049345487,0.8500702487834967,0.8973232643410322
EOS-4-00337,Fc1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)nc1C(F)(F)F,YYBITDCSBTZCEY-UHFFFAOYSA-N,4,1,0.449,68,473,440.307,3.639,4,0.441,0.64,0.994,0.8493334932492632,0.8327222260297443,0.9670773079295456,0.9370759372215749,0.896552241107532
EOS-4-00338,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)nc1,LDCGQOQDLQXDHO-UHFFFAOYSA-N,4,1,0.573,73,161,449.396,3.682,5,0.391,0.65,1.0,0.9712408333904462,0.9573624151874444,0.7952676307312727,0.7928945925570557,0.8791913679665547
EOS-4-00339,COc1cc(-c2nnc3cncc(C(F)(F)c4ccc(F)cn4)n23)ccc1-c1cncnc1,FASJNZGWUTWZFA-UHFFFAOYSA-N,4,1,0.37,14,81,449.396,3.931,5,0.402,0.6,1.0,0.5382084846823384,0.6321276814474677,0.9640189157699952,0.8979250908094031,0.7580700431773011
EOS-4-00340,Fc1ccc(-c2nnc3cncc(OCCc4c(F)cncc4Cl)n23)cc1-c1cncnc1,MMFPRPUFAAYBPM-UHFFFAOYSA-N,4,1,0.588,35,494,465.851,4.196,5,0.371,0.7,1.0,0.9658351038311288,0.9618429168665615,0.8787437461448838,0.8951751079432527,0.9253992186964567
EOS-4-00341,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1cc(F)[nH]n1,SBNMFZSTBIZFOX-UHFFFAOYSA-N,4,1,0.506,43,521,447.38,4.049,5,0.436,0.61,1.0,0.8960318004249195,0.9013775615105202,0.9610804605578781,0.9561887464875608,0.9286696422452196
EOS-4-00342,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cc(F)ccn5)nc4F)n23)c1,SMFSXPCCRDZGCJ-UHFFFAOYSA-N,4,1,0.607,11,159,448.408,4.287,5,0.361,0.66,1.0,0.9267013912685902,0.9422931944349257,0.8503443903776301,0.8619183058049482,0.8953143204715235
EOS-4-00343,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cc2F)nc1,DUIKPWFZDRQYSH-UHFFFAOYSA-N,4,1,0.576,35,325,449.396,3.682,5,0.365,0.68,1.0,0.9747190048660133,0.9593585086697279,0.7570334452744842,0.7491090398190665,0.860054999657323
EOS-4-00345,Fc1ccnc(-c2ccc(-c3nnc4cncc(COc5ccc(F)cc5F)n34)cn2)c1,DSLWYCUHDHOLHC-UHFFFAOYSA-N,4,1,0.433,14,189,434.381,4.245,5,0.412,0.68,1.0,0.677737989171407,0.7639897882256186,0.9068346926187376,0.9052069769035707,0.8134423617298335
EOS-4-00346,Clc1ccc(-c2nnc3cncc(OCCc4cnc(Cl)c(Cl)c4)n23)cc1,VRQOIJOKNOYZKS-UHFFFAOYSA-N,4,1,0.729,23,281,420.687,4.768,4,0.435,0.81,1.0,0.9878692344595984,0.9896254540470153,0.9068432595435543,0.9534901651703105,0.9594570283051196
EOS-4-00347,Fc1cncc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)c1F,LAEWVLRGHNKDRZ-UHFFFAOYSA-N,4,1,0.449,2,422,451.824,4.154,5,0.396,0.62,1.0,0.8377167431978617,0.8253975053114934,0.8862483722842849,0.8937444314988692,0.8607767630731273
EOS-4-00348,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)nc1,XQEBHXWOELOCKM-UHFFFAOYSA-N,4,1,0.578,73,161,449.396,3.682,5,0.391,0.69,1.0,0.9640703173188953,0.9565314234802276,0.80003084092934,0.7905729559317387,0.8778013844150504
EOS-4-00351,N#Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5cc(Cl)ccc5F)cc4)n23)nc1,MTMZCJOQCFMANP-UHFFFAOYSA-N,4,1,0.327,96,586,442.841,5.31,5,0.374,0.81,1.0,0.4440237132478925,0.6757418956891235,0.9524021657185937,0.962888081694195,0.7587639640874512
EOS-4-00352,Fc1cnccc1COc1cncc2nnc(-c3cc(-c4cnc(F)c(F)c4)ccn3)n12,ARNAQCSCCCAKLF-UHFFFAOYSA-N,4,1,0.387,46,160,435.369,3.64,5,0.389,0.75,1.0,0.7294222465903639,0.6710729216640394,0.8873449386608183,0.8700654513055993,0.7894763895552053
EOS-4-00353,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)c1,WKDFHXLBBJOTHW-UHFFFAOYSA-N,4,1,0.552,35,325,449.396,3.682,5,0.365,0.61,1.0,0.9734510999931465,0.9583476115413612,0.7782023164964704,0.7644952367898019,0.868624066205195
EOS-4-00354,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5F)n34)cn2)nc1,LMFHUCWSVVGPRL-UHFFFAOYSA-N,4,1,0.506,73,665,453.359,3.779,5,0.296,0.67,1.0,0.9241570145980399,0.9144678226303886,0.9035449934891372,0.8870536632170516,0.9073058734836543
EOS-4-00355,FC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1,MVSYNYBZFKWHNY-UHFFFAOYSA-N,4,1,0.348,74,121,420.358,3.724,5,0.439,0.75,1.0,0.35575011993694744,0.40662908642313755,0.9585275169625112,0.9217668425741896,0.6606683914741964
EOS-4-00356,Fc1ccc(-c2nc(-c3ccc(Cl)cn3)ccc2-c2nnc3cncc(Cl)n23)cc1,NGDATIRPSNILBU-UHFFFAOYSA-N,4,1,0.581,45,140,437.265,5.361,5,0.38,0.72,1.0,0.41186347748612157,0.6467428551847029,0.8762079363991502,0.9404941402234254,0.71882710232335
EOS-4-00358,Fc1ccnc(-c2cc(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ncn2)c1,LGNWTSHZKSJPTI-UHFFFAOYSA-N,4,1,0.487,96,121,435.369,4.051,5,0.411,0.72,1.0,0.5254266328558701,0.8292183537797272,0.9068518264683709,0.8951836748680694,0.7891701219930094
EOS-4-00360,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)c2)nc1,FLDGCBAWHCSSSN-UHFFFAOYSA-N,4,1,0.566,73,161,449.396,3.682,5,0.391,0.69,1.0,0.952907614282777,0.954612432321294,0.7952761976560894,0.7859125488314714,0.8721771982729081
EOS-4-00361,Fc1ccc(CCOc2cncc3nnc(-c4ncncc4-c4ccccc4)n23)c(F)c1F,FKPPYWNQYKYCMY-UHFFFAOYSA-N,4,1,0.505,88,198,448.408,4.287,5,0.361,0.75,0.999,0.8253889383866767,0.8137293537111918,0.885057569734768,0.8883215680899185,0.8531243574806388
EOS-4-00363,Cc1ncccc1COc1cncc2nnc(-c3cccc4c3CCC4(O)C(F)(F)F)n12,DDBIKRISNFCINZ-UHFFFAOYSA-N,4,1,0.441,66,12,441.413,3.77,5,0.519,0.45,1.0,0.7379891714070317,0.7192190391337125,0.9640274826948119,0.9185199780686725,0.8349389178260572
EOS-4-00364,FCc1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1ccnc(F)c1,SBSJLOZMTHZTFT-UHFFFAOYSA-N,4,1,0.379,13,724,486.816,5.581,5,0.238,0.64,0.996,0.7648636145569186,0.8761822356247002,0.9493780412583099,0.9541669522308273,0.8861477109176891
EOS-4-00365,Fc1ccc(-c2cnccc2-c2nnc3cncc(-c4cnnc(C(F)F)c4)n23)cc1F,PEVCIHVTQBYQEI-UHFFFAOYSA-N,4,1,0.356,45,575,437.36,4.526,5,0.385,0.65,0.999,0.33732266465629496,0.5280309780001371,0.9662720169967788,0.9622027277088616,0.6984570968405182
EOS-4-00366,Fc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1cnccn1,XYYGMWXXEXLRFZ-UHFFFAOYSA-N,4,1,0.552,35,325,449.396,3.682,5,0.365,0.53,1.0,0.9429871153450757,0.9460112398053595,0.854807758207114,0.8308118017956274,0.8936544787882942
EOS-4-00367,Fc1cc(Cl)cnc1-c1ncncc1-c1nnc2cncc(-c3ncc(C(F)(F)F)cn3)n12,OEEVRZXPRKPZPV-UHFFFAOYSA-N,4,1,0.278,50,978,473.781,3.912,5,0.363,0.66,0.732,0.3467634158042629,0.47818004249194707,0.9068603933931876,0.9015574669316702,0.6583403296552669
EOS-4-00368,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ccsc4)cc3)n12,RFAWTXMGXDWQMV-UHFFFAOYSA-N,4,1,0.605,57,326,436.899,5.891,5,0.344,0.77,1.0,0.9616458775957782,0.9336320334452745,0.9545267630731272,0.9640788842437119,0.9534708895894729
EOS-4-00369,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cn1,KAQVCRDLGGHWAU-UHFFFAOYSA-N,4,1,0.659,90,281,412.787,3.611,4,0.465,0.72,1.0,0.9698444246453293,0.9797220889589473,0.9469450346103763,0.9460626413542594,0.960643547392228
EOS-4-00370,Fc1ccc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)nn1,DOWOLWJXBZMVSY-UHFFFAOYSA-N,4,1,0.435,13,724,455.787,4.506,5,0.394,0.63,0.989,0.8327650606538277,0.9038448358577205,0.8990216571859365,0.9085309437324378,0.8860406243574807
EOS-4-00373,COc1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)ccc1-c1cnccn1,NZMIEPINBDTXLV-UHFFFAOYSA-N,4,1,0.375,85,674,464.411,3.657,5,0.388,0.58,1.0,0.6294205332054006,0.5697519018573093,0.8608645740524982,0.6779778630662737,0.6845037180453705
EOS-4-00374,FC(F)(F)c1ccc(-c2cncc3nnc(-c4ccncc4-c4ccc(Cl)nc4)n23)nn1,GVLCWWJYRLTKBS-UHFFFAOYSA-N,4,1,0.366,50,243,454.803,4.378,5,0.373,0.65,1.0,0.33488109108354464,0.46929614145706255,0.947493317798643,0.9227434720032897,0.668603505585635
EOS-4-00375,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c(F)c1,BWEMWQILTXFXQH-UHFFFAOYSA-N,4,1,0.517,88,503,448.408,4.287,5,0.386,0.67,1.0,0.8736892605030498,0.832730792954561,0.9086680145295045,0.9120519498320883,0.881785004454801
EOS-4-00376,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,DADVDFOAVJZPKQ-UHFFFAOYSA-N,4,1,0.446,13,724,472.242,5.021,5,0.363,0.77,1.0,0.8777157151668837,0.9013861284353368,0.8749400315262833,0.9052155438283873,0.8898143547392228
EOS-4-00377,OCc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1Cl,JLBKNZPPIDNKLX-UHFFFAOYSA-N,4,1,0.779,23,17,402.788,3.794,4,0.55,0.83,1.0,0.9876807621136316,0.9868326365567816,0.9820094578849976,0.9824977725995476,0.9847551572887396
EOS-4-00378,O=C(c1ccc(-c2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cc1)c1cnco1,NWJXKTTVKRLGOH-UHFFFAOYSA-N,4,1,0.358,96,46,421.338,4.095,5,0.321,0.73,1.0,0.4947056404632993,0.5797323692687273,0.9264443835240902,0.9141165787129052,0.7287497429922555
EOS-4-00379,FC(F)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncs5)c4)n23)cc1,ZEWYNTAJCTUMDV-UHFFFAOYSA-N,4,1,0.398,14,358,453.905,6.097,5,0.323,0.74,1.0,0.4674713864711123,0.6184206017407992,0.9734596669179632,0.9759526420396134,0.758826074292372
EOS-4-00380,Fc1cc(F)c(COc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)cc1F,JQQRETUKOVMDCY-UHFFFAOYSA-N,4,1,0.562,59,962,439.422,4.911,5,0.364,0.76,1.0,0.8693029949969159,0.817593036803509,0.9562829826605441,0.9496950174765266,0.898218507984374
EOS-4-00381,Fc1ccc(-c2nc(-c3cncc4nnc(-c5cnc(C(F)(F)F)nc5)n34)ncc2F)cn1,UWXQJLHBBRKCHX-UHFFFAOYSA-N,4,1,0.314,50,243,457.326,3.397,5,0.3,0.7,0.787,0.405147008429854,0.537266122952505,0.8231272702350764,0.7385974230690151,0.6260344561716127
EOS-4-00382,Fc1cncc(F)c1COc1cncc2nnc(-c3ccnc(-c4cncnc4F)c3)n12,QSKHZDPZVKORRD-UHFFFAOYSA-N,4,1,0.466,73,980,436.357,3.035,5,0.387,0.63,1.0,0.858106024261531,0.7468987732163662,0.7890394763895552,0.7593208142005345,0.7883412720169967
EOS-4-00383,Fc1cnc(CCOc2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)cc1Cl,HELWASDJOYNTHZ-UHFFFAOYSA-N,4,1,0.547,90,281,436.781,3.597,4,0.437,0.74,1.0,0.9056353231444041,0.9555376602014941,0.9056867246933041,0.8870622301418682,0.9134804845452678
EOS-4-00384,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)nc1,ZMAFEJFKVJPJIZ-UHFFFAOYSA-N,4,1,0.453,2,491,436.357,3.035,5,0.387,0.55,1.0,0.828010417380577,0.7811664724830375,0.7332002604345145,0.7092214378726612,0.7628996470426975
EOS-4-00385,N#Cc1c(F)cccc1COc1cncc2nnc(-c3ccnc(-c4ccnc(F)c4)c3)n12,ZUGCINXVSRSKCR-UHFFFAOYSA-N,4,1,0.478,97,183,441.401,3.977,5,0.38,0.65,1.0,0.9160098690973888,0.809805702145158,0.9162668768418888,0.8937529984236858,0.8839588616270304
EOS-4-00386,Fc1cc(-c2cnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)c(F)c2)ncn1,ZFBCXRTWVYWWRZ-UHFFFAOYSA-N,4,1,0.345,50,243,456.338,4.06,5,0.229,0.61,0.313,0.36495956411486535,0.5745151120553766,0.9162754437667056,0.9004694674799534,0.6890548968542252
EOS-4-00387,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)c(Cl)c4)n23)c1,FPKFGWXMPOOZOK-UHFFFAOYSA-N,4,1,0.6,43,613,467.291,5.273,5,0.35,0.79,1.0,0.955357754780344,0.9593670755945446,0.9247395654855733,0.9503118360633267,0.9474440579809471
EOS-4-00388,Fc1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1-c1cscn1,QTRTYBNVIGWDQO-UHFFFAOYSA-N,4,1,0.554,57,13,455.877,5.425,5,0.354,0.78,1.0,0.9658436707559455,0.947236310054143,0.954535329997944,0.9615687752724282,0.9572960215201152
EOS-4-00389,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)cn1,NZYRIDPQCBGEEU-UHFFFAOYSA-N,4,1,0.524,59,959,451.824,4.154,5,0.371,0.67,1.0,0.9160184360222055,0.9504317730107601,0.8813909259132342,0.8841494757042012,0.9079976526626002
EOS-4-00390,N#Cc1cc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)c(F)c(F)c1Br,DFAATOPBDBZNPH-UHFFFAOYSA-N,4,1,0.347,73,861,448.618,3.814,4,0.433,0.65,0.999,0.43947467617024194,0.6135974230690151,0.9116064697416215,0.9395860461928586,0.7260661537934343
EOS-4-00391,FC(F)(F)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)nc4)n23)cn1,NZWQZXGBIRMDHM-UHFFFAOYSA-N,4,1,0.493,82,489,421.346,3.119,5,0.437,0.78,1.0,0.36737543691316565,0.5189843053937359,0.8562384346514975,0.7252073195805634,0.6169513741347407
EOS-4-00392,Cc1ncc(-c2nnc3cncc(Cc4cc(C(F)(F)F)nc(C(F)(F)F)n4)n23)cn1,NBMPRJHHYRCTLU-UHFFFAOYSA-N,4,1,0.346,68,455,440.311,3.308,4,0.451,0.62,1.0,0.3743317798642999,0.4115122335686382,0.9499777259954767,0.7952419299568227,0.6327659173463094
EOS-4-00393,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccncc5)c4)n23)ccn1,SYAFWLMGQQYQCI-UHFFFAOYSA-N,4,1,0.612,35,352,430.418,4.148,5,0.377,0.78,1.0,0.9391576999520252,0.9481872387087931,0.8787523130697005,0.8666472483037488,0.908186125008567
EOS-4-00394,OCc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1Cl,VKQAOMXBEOIKKN-UHFFFAOYSA-N,4,1,0.59,23,17,402.788,3.794,4,0.55,0.76,1.0,0.9835258035775478,0.9813412377492975,0.979961962853814,0.9810328284558975,0.9814654581591392
EOS-4-00395,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)c2)ccn1,QYXDHVKVOVPVPT-UHFFFAOYSA-N,4,1,0.605,35,352,430.418,4.148,5,0.377,0.75,1.0,0.9201733945582894,0.9336406003700911,0.8548163251319306,0.8445959838256459,0.8883065759714892
EOS-4-00396,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c1,GJUDNUZQGYCBAL-UHFFFAOYSA-N,4,1,0.689,59,11,445.454,5.249,5,0.369,0.71,1.0,0.9448204372558426,0.8292269207045438,0.9738794462339798,0.9710352271948461,0.9297405078473031
EOS-4-00397,O=[N+]([O-])c1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)ccc1F,REQBLPJXTDRGMW-UHFFFAOYSA-N,4,1,0.628,23,86,449.776,4.392,4,0.246,0.71,1.0,0.987877801384415,0.9304879720375574,0.9338119388664246,0.8870707970666849,0.9348121273387704
EOS-4-00398,Cc1cc(-c2nnc3cncc(Oc4cc(F)c(Cl)cc4F)n23)ccc1-c1ccsc1,TUGALQLAFWHJOX-UHFFFAOYSA-N,4,1,0.482,13,145,454.889,6.552,5,0.289,0.71,1.0,0.9147419642245219,0.8840638064560346,0.9772462476869302,0.978000137070797,0.9385130388595709
EOS-4-00399,Fc1cc(-c2ncc(C(F)(F)F)nn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,UMHGBSJKAFZNOI-UHFFFAOYSA-N,4,1,0.576,37,619,482.401,3.818,5,0.337,0.69,1.0,0.8889555205263519,0.9322441916249743,0.8850661366595847,0.7952504968816394,0.8753790864231374
EOS-4-00400,Fc1ccc(-c2nnc3cncc(OCc4cccnc4F)n23)cc1-c1cccnc1,ITUOWMAEHOQDHL-UHFFFAOYSA-N,4,1,0.549,97,91,416.391,4.106,5,0.402,0.79,1.0,0.9481958056336097,0.8732523473373998,0.8895637721883353,0.8784696045507505,0.8973703824275239
EOS-4-00401,Cc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)ccc1Cl,GGJZRHRLGZTQRB-UHFFFAOYSA-N,4,1,0.627,23,627,404.779,4.749,4,0.461,0.76,1.0,0.9747275717908299,0.9858902748269481,0.9892485093550819,0.9916129806044822,0.9853698341443355
EOS-4-00402,Fc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4cnc(F)c(F)c4)c3)n12,YOIDBDXAKJTJFU-UHFFFAOYSA-N,4,1,0.506,2,419,449.396,3.682,5,0.365,0.67,1.0,0.8401240490713453,0.8619268727297649,0.8762165033239668,0.8567438832156808,0.8587528270851894
EOS-4-00403,Fc1ccnc(-c2cc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)ncn2)c1,WCHJKSITSGVFAW-UHFFFAOYSA-N,4,1,0.385,13,971,437.797,4.367,5,0.412,0.78,1.0,0.665410184360222,0.6807621136316908,0.8436279213213624,0.8827959015831677,0.7681490302241107
EOS-4-00404,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nnc1Cl,ACEKSGSXPZTFDU-UHFFFAOYSA-N,4,1,0.692,90,305,436.781,3.597,4,0.437,0.74,1.0,0.9750531149338634,0.9816410801178809,0.8749485984511,0.8784781714755672,0.9275302412446029
EOS-4-00405,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)o1,BVNNYSJTPOEEAX-UHFFFAOYSA-N,4,1,0.588,1,676,443.41,5.106,5,0.376,0.66,1.0,0.9024484271126036,0.8590312521417311,0.9678140634637791,0.9063292440545542,0.908905746693167
EOS-4-00406,CC(F)(F)c1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cn1,UTUQTMBIDMZUEH-UHFFFAOYSA-N,4,1,0.726,90,811,418.354,3.593,4,0.446,0.67,1.0,0.9087451168528545,0.9144763895552053,0.9105870056884381,0.8208656020834761,0.8886685285449936
EOS-4-00407,Fc1cc(CCOc2cncc3nnc(-c4cnc(C(F)F)cn4)n23)ccc1Cl,JLXJBCLQZMTZNQ-UHFFFAOYSA-N,4,1,0.636,68,281,420.782,3.933,4,0.47,0.77,1.0,0.8832585155232677,0.8761908025495169,0.9230518812966897,0.9141251456377218,0.899156586251799
EOS-4-00408,Fc1cnc(-c2ncccc2F)cc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,RNIKBFMQGAGFCH-UHFFFAOYSA-N,4,1,0.495,73,698,467.386,3.821,5,0.277,0.65,0.996,0.8832670824480844,0.8761993694743335,0.845187101637996,0.8446045507504626,0.8623145260777191
EOS-4-00409,Fc1cc(-c2cnc(Cc3cncc4nnc(-c5ccc(Cl)cn5)n34)cc2Cl)c(F)cn1,ZYUAVCOGQJPSGP-UHFFFAOYSA-N,4,1,0.34,73,575,470.27,4.819,5,0.351,0.58,1.0,0.3604704955109314,0.5235847440202864,0.9056952916181208,0.945274484271126,0.6837562538551161
EOS-4-00410,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)ccc1C(F)F,PUWBCEYKZSFOQD-UHFFFAOYSA-N,4,1,0.4,50,274,444.38,4.259,5,0.408,0.65,0.936,0.35822596120896444,0.5745236789801933,0.9493866081831266,0.9300167911726407,0.7030382598862313
EOS-4-00411,Cc1ccc(-c2nnc3cncc(CNc4ccc(F)c(OC(F)F)c4)n23)c(F)c1,XHHHJUZQYQEVGF-UHFFFAOYSA-N,4,1,0.404,23,678,417.366,4.591,4,0.465,0.79,1.0,0.520063737920636,0.6564748817764375,0.9775717908299637,0.9615773421972449,0.7789219381810706
EOS-4-00412,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4ccsc4)nc3)n12,MWNHGCRTJZROHW-UHFFFAOYSA-N,4,1,0.475,13,724,441.85,5.639,5,0.361,0.76,1.0,0.8401326159961621,0.8590398190665479,0.934574395175108,0.9413165650058255,0.8937658488109108
EOS-4-00413,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,KRAVBXZXTGBPSF-UHFFFAOYSA-N,4,1,0.608,23,281,405.767,3.879,4,0.372,0.73,1.0,0.9553663217051607,0.9602494688506613,0.955203550133644,0.9628966486190117,0.9584289973271194
EOS-4-00414,Fc1cnccc1-c1ccnc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,FEICAXIZJJVILY-UHFFFAOYSA-N,4,1,0.396,46,564,451.824,4.154,5,0.396,0.55,1.0,0.7531697621821671,0.6757504626139401,0.8895723391131519,0.9015660338564869,0.8050146494414365
EOS-4-00415,Fc1cccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1Cl,NYEHMZKTBGXKCQ-UHFFFAOYSA-N,4,1,0.768,23,231,403.244,4.859,4,0.478,0.84,1.0,0.9996830237817833,0.9996316222328833,0.9631365225138784,0.9810413953807141,0.9858731409773148
EOS-4-00416,Cc1nnccc1CCOc1cncc2nnc(-c3ccc(OC(F)(F)F)cc3)n12,XEMFKJLJIWBVSI-UHFFFAOYSA-N,4,1,0.632,48,305,416.363,3.41,4,0.476,0.75,1.0,0.9328010417380577,0.9367161263792749,0.9057038585429374,0.8060276883010075,0.8953121787403194
EOS-4-00417,FC(F)c1cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)ccc1Cl,UFWZYFOASIOTAW-UHFFFAOYSA-N,4,1,0.584,90,281,437.237,4.447,4,0.444,0.72,1.0,0.9279607292166404,0.9635563018298952,0.890651771640052,0.9129686107874717,0.9237843533685148
EOS-4-00418,Fc1ccc(-c2nnc3cncc(OCc4cnc(C(F)F)o4)n23)cc1-c1ccccn1,OFDHAQGXIBMWJJ-UHFFFAOYSA-N,4,1,0.506,97,666,438.369,4.497,5,0.386,0.71,1.0,0.9499777259954767,0.8992700980056199,0.8436364882461792,0.7813635117538208,0.8685619560002742
EOS-4-00419,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c(F)n2)nc1,GYPGMYGUHNZYEH-UHFFFAOYSA-N,4,1,0.494,73,665,453.359,3.779,5,0.296,0.67,1.0,0.8960403673497361,0.8969827290795696,0.8548248920567473,0.8633404153245151,0.8777971009526421
EOS-4-00420,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)cc3F)n12,LKUOJYSZHDSARK-UHFFFAOYSA-N,4,1,0.6,35,161,430.418,4.148,5,0.403,0.76,1.0,0.8960489342745528,0.9255534233431567,0.8708279076142827,0.8633489822493318,0.888944811870331
EOS-4-00421,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4ccc(Cl)c(-c5cncnc5)n4)n23)c1,YTGUYDFNCBSSBE-UHFFFAOYSA-N,4,1,0.529,73,817,469.814,4.293,5,0.354,0.7,1.0,0.6866647248303749,0.8676410115824823,0.9116150366664382,0.9205760400246727,0.8466242032759921
EOS-4-00423,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)nc1,TYPYWGNYJXNJBJ-UHFFFAOYSA-N,4,1,0.578,73,429,465.851,4.196,5,0.371,0.64,1.0,0.97506168185868,0.9710266602700295,0.7804982523473374,0.8103368514837914,0.8842308614899596
EOS-4-00424,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)ccn1,RDQHPJYNUFYRGR-UHFFFAOYSA-N,4,1,0.59,35,352,430.418,4.148,5,0.377,0.78,1.0,0.938129668974025,0.9460198067301762,0.8578832842162977,0.8482369268727298,0.8975674216983072
EOS-4-00425,CC(C)(C)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,MDECAKANPVBPQW-UHFFFAOYSA-N,4,1,0.437,66,364,412.419,4.488,4,0.496,0.82,1.0,0.477717428551847,0.46930470838187927,0.9068689603180042,0.7119971215132616,0.641472054691248
EOS-4-00426,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1Cl,QQLVVIPVDKRALU-UHFFFAOYSA-N,4,1,0.809,48,231,415.28,4.212,4,0.511,0.85,1.0,0.9819152217120143,0.9816496470426975,0.9363648824617915,0.9509115208004935,0.9627103180042492
EOS-4-00427,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cccc(Cl)c5)c4)n23)nc1F,YYRFDYKMFYOFGO-UHFFFAOYSA-N,4,1,0.565,59,71,450.836,4.759,5,0.359,0.78,1.0,0.7704578164622027,0.8814508943869509,0.9046586937153039,0.917372010143239,0.8684848536769241
EOS-4-00428,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(F)c(-c4cnccn4)c3Cl)n12,LIUQZDIPKCDBSO-UHFFFAOYSA-N,4,1,0.466,73,540,486.269,4.807,5,0.33,0.6,1.0,0.892356589678569,0.9013946953601535,0.9291258309917072,0.9445291618120759,0.9168515694606264
EOS-4-00429,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3cc(-c4ccccn4)ncn3)n12,AITOJGYNGSAXHH-UHFFFAOYSA-N,4,1,0.378,44,971,437.797,4.367,5,0.412,0.67,1.0,0.6745767939140566,0.690656911794942,0.812204441093825,0.8349410595572613,0.7530948015900212
EOS-4-00430,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)cc2F)nc1,PBFDJYHMHCZVDN-UHFFFAOYSA-N,4,1,0.578,73,161,465.851,4.196,5,0.371,0.7,1.0,0.9683709135768624,0.9674628195462956,0.8000394078541567,0.8247207182509766,0.8901484648070729
EOS-4-00432,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4ccc(F)c(-c5nc(F)cs5)c4)n23)c1,DBPHHTKFALAMIF-UHFFFAOYSA-N,4,1,0.536,59,13,475.402,5.189,5,0.259,0.64,1.0,0.9056438900692207,0.8789150846412171,0.9734682338427798,0.9723202659173463,0.932586868617641
EOS-4-00433,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,JQJPVCPWDMBIMV-UHFFFAOYSA-N,4,1,0.821,48,231,410.264,4.591,4,0.481,0.83,1.0,0.9974127887053663,0.9989891028716332,0.9545438969227606,0.969647385374546,0.9801482934685766
EOS-4-00434,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c1F,NAWORUOKQYNENU-UHFFFAOYSA-N,4,1,0.562,57,951,439.422,4.911,5,0.364,0.75,1.0,0.9609776574600781,0.932252758549791,0.9358594338976081,0.9238229045301899,0.9382281886094168
EOS-4-00436,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)c(F)c1F,DOTATUUUYKIQHC-UHFFFAOYSA-N,4,1,0.622,23,281,405.767,3.879,4,0.372,0.69,1.0,0.9622284284833116,0.9855218970598314,0.9635477349050785,0.9665632924405455,0.9694653382221917
EOS-4-00437,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)cc1-c1ccccn1,MDUXFMFSSODTAI-UHFFFAOYSA-N,4,1,0.548,97,992,432.846,4.62,5,0.377,0.75,1.0,0.9491381673634433,0.912420327599205,0.8721814817353163,0.8784867384003838,0.9030566787745871
EOS-4-00438,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(Oc4ccccn4)c3)n12,ITTSLJFHTUUBDP-UHFFFAOYSA-N,4,1,0.58,35,161,446.417,4.273,5,0.369,0.71,1.0,0.9024569940374203,0.9104071002672881,0.8286529367418272,0.7717771228839696,0.8533235384826263
EOS-4-00439,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(Br)n34)cn2)nn1,CKHGFFPCEOXRLY-UHFFFAOYSA-N,4,1,0.672,68,861,422.168,3.425,4,0.493,0.8,1.0,0.31982043725584264,0.4604293742718114,0.9086765814543212,0.8308203687204441,0.6299366904256049
EOS-4-00440,N#Cc1ccc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)cc1-c1ccccn1,LQODNZSEVFVCGG-UHFFFAOYSA-N,4,1,0.478,97,666,441.401,3.977,5,0.38,0.72,1.0,0.9640788842437119,0.8814594613117676,0.8942670139126859,0.8743831814131999,0.9035471352203414
EOS-4-00441,Fc1ccnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1F,KLEUVAMWSZPRDK-UHFFFAOYSA-N,4,1,0.707,90,305,405.311,3.645,4,0.456,0.81,1.0,0.9609862243848948,0.9754386265506134,0.9691933383592626,0.9561973134123775,0.965453875676787
EOS-4-00442,Fc1cnc(COc2cncc3nnc(-c4cc(F)cc(-c5ccc(F)c(F)n5)c4)n23)nc1,QCGZMURDCFEYFL-UHFFFAOYSA-N,4,1,0.461,73,756,453.359,3.779,5,0.296,0.63,1.0,0.817310328284559,0.8061476252484409,0.8637516277157151,0.8633575491741484,0.8376417826057159
EOS-4-00443,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)c(Cl)c4)n23)c1,AHVQMLOEVLKIRH-UHFFFAOYSA-N,4,1,0.533,35,919,465.851,4.196,5,0.347,0.62,1.0,0.97539579192653,0.957370982112261,0.8436450551709959,0.855039065177164,0.9078627235967378
EOS-4-00444,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)c(F)c3)n12,XTSNLQJDFWSRGB-UHFFFAOYSA-N,4,1,0.633,35,982,430.418,4.148,5,0.403,0.76,1.0,0.9147505311493387,0.9219039133712562,0.8800116510177507,0.870074018230416,0.8966850284421903
EOS-4-00445,FC(F)(F)c1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,CGYAFQROQJWAMZ-UHFFFAOYSA-N,4,1,0.477,75,583,464.411,3.679,5,0.375,0.63,1.0,0.75017990542115,0.7726252484408197,0.7227229113837297,0.5678928791720924,0.7033552361044481
EOS-4-00446,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5F)n34)cc2F)nc1,COFYJVSZVWPGIM-UHFFFAOYSA-N,4,1,0.552,73,325,450.384,3.077,5,0.364,0.67,1.0,0.9757127681447467,0.9492838050853266,0.6385271742855184,0.6375162771571516,0.8002600061681858
EOS-4-00447,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1ncccc1F,OGZOTDIZASVWKH-UHFFFAOYSA-N,4,1,0.578,34,71,450.836,4.759,5,0.384,0.67,1.0,0.8377253101226784,0.9200705914604893,0.9024569940374203,0.9173805770680556,0.894408368172161
EOS-4-00448,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4ccncc4)c3)n12,SPJPESUCHCFVRV-UHFFFAOYSA-N,4,1,0.625,35,161,430.418,4.148,5,0.403,0.76,1.0,0.9227948735521897,0.9322613254746076,0.8826759646357344,0.8743917483380166,0.9030309780001371
EOS-4-00449,CC(F)c1ncc(Cc2cncc3nnc(-c4ccc(F)c(Br)c4)n23)cn1,KVPPVAIKHRLTFU-UHFFFAOYSA-N,4,1,0.412,68,364,431.244,4.104,4,0.487,0.62,1.0,0.47262867521074636,0.5607737646494414,0.7433692001918991,0.7062744157357275,0.6207615139469536
EOS-4-00450,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)c2)nc1,AZBNDXGQFFIXIR-UHFFFAOYSA-N,4,1,0.457,73,526,435.369,3.64,5,0.389,0.66,1.0,0.7790761428277705,0.7811750394078542,0.7570420121993009,0.7540521554382839,0.7678363374683023
EOS-4-00451,FCc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccc(C(F)(F)F)cn5)c4)n23)n1,ZIASDQKSRLNIBR-UHFFFAOYSA-N,4,1,0.457,27,199,482.401,4.106,5,0.333,0.67,0.999,0.538217051607155,0.6271759989034337,0.882684531560551,0.7765231992324035,0.7061501953258859
EOS-4-00452,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Br)c4)n23)cn1,GQZZIVLYWCEPGD-UHFFFAOYSA-N,4,1,0.806,23,281,465.138,4.877,4,0.394,0.7,1.0,0.9693818107052292,0.979319443492564,0.9035535604139538,0.9344373243780413,0.9466730347474471
EOS-4-00453,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cn[nH]c5)c4)n23)c1,MHCLUWIHPXVMHG-UHFFFAOYSA-N,4,1,0.61,88,752,436.397,4.22,5,0.431,0.65,1.0,0.9658522376807621,0.9513313001165101,0.9464738537454596,0.9468764992118429,0.9526334726886436
EOS-4-00454,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(Cl)c2)c1,ZQAZEMZNDMXJGE-UHFFFAOYSA-N,4,1,0.588,11,0,446.873,4.662,5,0.377,0.76,1.0,0.9361421424165581,0.9437324378041259,0.8286615036666438,0.8550476321019806,0.8908959289973271
EOS-4-00455,CC(F)(F)c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4F)n23)cc1F,CKDBRWLVRNVJKA-UHFFFAOYSA-N,4,1,0.302,96,961,451.387,4.7,5,0.291,0.71,0.995,0.3718645055170996,0.46043794119662806,0.9590500993763279,0.9370845041463917,0.6821092625591119
EOS-4-00456,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ncc(C(F)(F)F)cn4)nc3)n12,SMNODJCYNXALSJ-UHFFFAOYSA-N,4,1,0.549,65,262,482.401,3.818,5,0.337,0.7,1.0,0.860453361661298,0.9237029675827565,0.9210386539647728,0.8567524501404976,0.8904868583373312
EOS-4-00457,FC(F)c1cc(-c2nnc3cncc(OCCc4ccc(Br)cn4)n23)ccc1Cl,DMOUPRHPYVJYOT-UHFFFAOYSA-N,4,1,0.605,90,400,480.7,5.161,4,0.381,0.77,1.0,0.9499862929202934,0.9765094921526969,0.9552121170584607,0.9503204029881434,0.9580070762798986
EOS-4-00458,Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ncccc5C(F)(F)F)c4)n23)ccc1F,JKEXIGSKBGZGDO-UHFFFAOYSA-N,4,1,0.511,24,912,481.413,4.689,5,0.337,0.69,0.986,0.6529624426016037,0.7726338153656364,0.9481444040847098,0.8813480912891508,0.8137721883352752
EOS-4-00459,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(Cl)c(C(F)F)c3)n12,GNWPBRBYRMIUSN-UHFFFAOYSA-N,4,1,0.549,90,281,420.782,3.933,4,0.47,0.74,1.0,0.9317216092111575,0.9689363306147625,0.9210472208895895,0.9205846069494894,0.9355724419162497
EOS-4-00460,N#Cc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCc4ccccc4F)n23)c1,BHQPYXIOCDDWON-UHFFFAOYSA-N,4,1,0.547,1,709,422.423,4.443,5,0.416,0.78,1.0,0.917397710917689,0.8590483859913646,0.9321585223768076,0.9268898636145569,0.9088736207251045
EOS-4-00461,N#Cc1nc(COc2cncc3nnc(-c4cc(CO)cc(F)c4F)n23)ccc1F,UEIRSOXQCIIAMP-UHFFFAOYSA-N,4,1,0.467,90,708,412.331,2.547,4,0.536,0.7,1.0,0.842351449523679,0.8430453704338291,0.9338205057912412,0.9015746007813036,0.8801979816325132
EOS-4-00462,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cccnc1,RLYIHKAYBHKNPM-UHFFFAOYSA-N,4,1,0.53,13,209,431.402,4.932,5,0.393,0.73,1.0,0.862800699061065,0.8215252552943595,0.9352768830100747,0.9027568364060037,0.8805899184428757
EOS-4-00463,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1cncnc1,OLJVVVUMFUYJAA-UHFFFAOYSA-N,4,1,0.643,27,996,465.395,3.963,5,0.356,0.76,1.0,0.8757624563086834,0.9423017613597423,0.8884072373380851,0.842762661914879,0.8873085292303474
EOS-4-00465,Fc1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1-c1cccnn1,RGXSHIYGECJRMO-UHFFFAOYSA-N,4,1,0.518,59,980,435.369,3.64,5,0.416,0.7,1.0,0.929391405661024,0.8464721403604962,0.8813994928380509,0.8756853539853334,0.8832370982112261
EOS-4-00466,Fc1cc(-c2cc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)ccc2F)ncn1,AYOPUNBSEATFEL-UHFFFAOYSA-N,4,1,0.432,73,526,454.347,3.174,5,0.227,0.62,1.0,0.8832756493729012,0.8840723733808512,0.8057278459324241,0.7905815228565554,0.840914347885683
EOS-4-00467,Cc1ccccc1-c1cnc(COc2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)nc1,WHXPOUNETFVXMW-UHFFFAOYSA-N,4,1,0.512,1,679,462.435,5.212,5,0.345,0.78,1.0,0.8906860393393188,0.9352511822356246,0.9329381125351244,0.9040076074292372,0.9157207353848262
EOS-4-00468,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)c1,VHHIIWWXRBZXKO-UHFFFAOYSA-N,4,1,0.623,97,293,416.391,4.106,5,0.429,0.8,1.0,0.9658608046055788,0.9104156671921048,0.8519549722431636,0.8465321088342129,0.893690888218765
EOS-4-00469,Cc1ccnc(COc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)c1F,GOGFMSXVTXCSAN-UHFFFAOYSA-N,4,1,0.518,90,255,419.794,4.804,4,0.464,0.69,1.0,0.8423600164484957,0.9409995887876088,0.97444486327188,0.9655609622369954,0.930841357686245
EOS-4-00470,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cn2)nc1,WULIHNBRTRZSCW-UHFFFAOYSA-N,4,1,0.5,73,665,435.369,3.64,5,0.416,0.72,1.0,0.9188112535124392,0.9063549448290041,0.819323555616476,0.8103454184086081,0.8637087930916318
EOS-4-00471,Fc1ccc(Oc2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)cn1,OYCPQMVRSLGOHQ-UHFFFAOYSA-N,4,1,0.419,96,46,418.819,4.833,5,0.389,0.91,1.0,0.586937153039545,0.8922880542800357,0.8884158042629018,0.8979336577342197,0.8163936673291755
EOS-4-00472,FC(F)c1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1Cl,DRMHIEABSRPLPZ-UHFFFAOYSA-N,4,1,0.554,90,400,436.249,5.052,4,0.396,0.8,1.0,0.9609947913097114,0.9760040435885134,0.9620999246110616,0.9670944417791789,0.9665483003221164
EOS-4-00474,Fc1ccc(Cl)cc1Oc1cncc2nnc(-c3ccc(F)c(-c4nccs4)c3)n12,SLFDSPLDZORPPD-UHFFFAOYSA-N,4,1,0.5,13,236,441.85,5.639,5,0.361,0.84,1.0,0.8795233363032006,0.9410081557124255,0.9338290727160579,0.9497035844013433,0.9260160372832568
EOS-4-00475,Fc1ccccc1COc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cn4)c3)n12,AMRIAYDNWQZDRX-UHFFFAOYSA-N,4,1,0.542,24,912,432.846,4.62,5,0.403,0.75,1.0,0.9228034404770064,0.8705966006442327,0.8534284833116305,0.8744003152628332,0.8803072099239256
EOS-4-00476,Fc1cnc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)c1,SMZVQYXIBDTVKR-UHFFFAOYSA-N,4,1,0.494,97,525,451.824,4.154,5,0.371,0.64,1.0,0.9118463436364882,0.8969912960043863,0.8667757521759989,0.8666558152285656,0.8855673017613598
EOS-4-00477,Cc1cc(-c2ccc(-c3nnc4cncc(CNc5ccc(F)c(F)c5)n34)cc2F)ccn1,HAJHSTGZRZVREM-UHFFFAOYSA-N,4,1,0.343,57,471,446.436,5.191,5,0.402,0.77,1.0,0.3673840038379823,0.44739908162565967,0.9511513946953601,0.937898362003975,0.6759582105407442
EOS-4-00479,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cn2)nc1,SFMDQDKIHALBFP-UHFFFAOYSA-N,4,1,0.506,73,665,435.369,3.64,5,0.416,0.7,1.0,0.9040333082036872,0.9014032622849701,0.8159224864642588,0.8148944554862586,0.8590633781097937
EOS-4-00480,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)nc1,LROHVBYCUGAKCI-UHFFFAOYSA-N,4,1,0.563,48,396,417.803,4.063,4,0.451,0.86,1.0,0.9338462065656912,0.9255619902679734,0.9190768281817558,0.9152474127887054,0.9234331094510315
EOS-4-00481,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)ncc1F,BWSHVAAAXRHHLJ-UHFFFAOYSA-N,4,1,0.585,59,293,448.408,4.553,5,0.393,0.76,1.0,0.9765351929271469,0.9437410047289425,0.8762250702487835,0.8633661160989651,0.9149668460009595
EOS-4-00482,Fc1cc(-c2cnc(-c3cncc4nnc(-c5cnc(C(F)(F)F)nc5)n34)cn2)ccn1,AEDZEYQPUXFCLP-UHFFFAOYSA-N,4,1,0.313,50,845,439.336,3.258,5,0.311,0.61,1.0,0.32477211979987664,0.4604465081214447,0.8305547940511274,0.7171886779521623,0.5832405249811528
EOS-4-00483,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4cnnc(-c5cccnc5F)c4)n23)c1,BPHYHMLSCIEVFI-UHFFFAOYSA-N,4,1,0.467,59,607,453.359,3.779,5,0.227,0.61,0.998,0.7079021314508944,0.8098142690699747,0.932946679459941,0.9268984305393736,0.8443903776300459
EOS-4-00485,Fc1cc(F)c(F)c(Oc2ccc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)nn2)c1,FDNSRVUVSYQQAV-UHFFFAOYSA-N,4,1,0.29,45,730,455.787,4.506,5,0.368,0.68,1.0,0.6410886848057021,0.8098228359947913,0.9013261599616201,0.9217754094990063,0.8185032725652799
EOS-4-00486,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)c1,MLGIOXQYHZQZSY-UHFFFAOYSA-N,4,1,0.518,97,89,416.391,4.106,5,0.429,0.75,1.0,0.9381382358988417,0.8137379206360085,0.8667843191008155,0.8585343705023645,0.8692987115345076
EOS-4-00487,CC(F)(F)c1ncc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)cn1,PPKNWPHPRJVBEO-UHFFFAOYSA-N,4,1,0.355,82,478,438.438,5.228,5,0.384,0.76,1.0,0.34677198272907955,0.505594201905284,0.9105955726132547,0.8567610170653143,0.6549306935782331
EOS-4-00488,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)ccn2)c1,KSFBSKDAWIZKRF-UHFFFAOYSA-N,4,1,0.539,75,496,449.396,3.682,5,0.365,0.59,1.0,0.8814166266876842,0.8706051675690494,0.837271263107395,0.8169676512918923,0.8515651771640053
EOS-4-00490,Fc1cnc(-c2cc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)ccc2F)cn1,JDKDOHPVEXXXHV-UHFFFAOYSA-N,4,1,0.5,55,434,452.812,3.549,5,0.373,0.65,1.0,0.8814251936125008,0.896999862929203,0.7782108834212871,0.7791189774518539,0.8339387293537113
EOS-4-00491,N#Cc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1Cl,HXEHZASPGIMZBZ-UHFFFAOYSA-N,4,1,0.736,48,231,410.264,4.591,4,0.481,0.83,1.0,0.985530463984648,0.9940802549516825,0.9511599616201768,0.9691076691110959,0.9749695874169009
EOS-4-00492,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(Br)cc4)n23)cn1,COTGMRZADRZKCF-UHFFFAOYSA-N,4,1,0.463,68,364,431.244,4.046,4,0.488,0.78,1.0,0.43461722979919126,0.5372746898773216,0.7976149681310397,0.6839404427386745,0.6133618326365567
EOS-4-00493,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)c1F,OKUROAANFWSYQD-UHFFFAOYSA-N,4,1,0.435,44,488,435.369,3.64,5,0.389,0.73,0.997,0.7351792200671647,0.6710814885888562,0.8339729970529779,0.8266911109588102,0.7667312041669523
EOS-4-00494,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,RWUQRIAYUGDHKR-UHFFFAOYSA-N,4,1,0.831,90,305,417.803,4.063,4,0.451,0.76,1.0,0.9938832156808992,0.9877064628880817,0.9142707833596052,0.9040161743540539,0.94996915907066
EOS-4-00495,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4F)n23)c1,WUNMYOPQJUFWCT-UHFFFAOYSA-N,4,1,0.489,73,817,435.369,3.64,5,0.389,0.76,0.999,0.7261668151600301,0.8464807072853129,0.8787608799945171,0.8700825851552326,0.8303727468987732
EOS-4-00496,N#Cc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCc3cc(F)cc(F)c3)n12,NWLKDDGACDAPOO-UHFFFAOYSA-N,4,1,0.5,73,16,460.379,3.511,5,0.391,0.63,1.0,0.8906946062641354,0.9014118292097869,0.7828370228222877,0.7882770200808717,0.8408051195942705
EOS-4-00497,CC(C)(O)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,BNYJNUAAOKNRJC-UHFFFAOYSA-N,4,1,0.418,66,364,414.391,3.418,4,0.551,0.79,1.0,0.4699129600438627,0.5189928723185525,0.9352854499348914,0.7859211157562881,0.6775280995133987
EOS-4-00499,FCc1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ccnc(F)c1,FIYWSLPYXBMNKZ-UHFFFAOYSA-N,4,1,0.462,59,153,448.408,4.575,5,0.354,0.7,1.0,0.7351877869919814,0.7977006373792064,0.8562470015763142,0.8550561990267973,0.8110479062435747
EOS-4-00500,O=C(NC1CC1)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(F)c1,KKFYKVLEOGMNSC-UHFFFAOYSA-N,4,1,0.449,66,685,455.415,4.432,5,0.452,0.82,1.0,0.4652268521691454,0.5697604687821259,0.957448084435611,0.9452830511959427,0.7344296141457063
EOS-4-00501,CC(C)(O)c1cnc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,QEYGRRQJWDZXGE-UHFFFAOYSA-N,4,1,0.423,66,455,414.391,3.418,4,0.551,0.75,1.0,0.4513484339661435,0.5280395449249538,0.9682081420053458,0.8700911520800494,0.7044218182441231
EOS-4-00502,Fc1cnc(Cl)c(OCc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)c4)n23)c1,CMLWCOZEOHURSS-UHFFFAOYSA-N,4,1,0.39,73,767,451.824,4.154,5,0.371,0.68,1.0,0.7848331163045713,0.7511908025495169,0.8593910629840312,0.8633746830237817,0.8146974162154753
EOS-4-00503,Cc1ccc(Oc2cncc3nnc(-c4ccc(-c5ncc(C(F)F)cn5)c(F)c4)n23)cn1,LGKOSLOUGRAAJW-UHFFFAOYSA-N,4,1,0.471,13,374,449.396,4.821,5,0.38,0.74,1.0,0.9040418751285039,0.8893667329175519,0.9013347268864369,0.8446131176752792,0.8848391131519429
EOS-4-00504,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc(F)n1,PUIUQRJUUNRBEC-UHFFFAOYSA-N,4,1,0.706,79,650,429.43,4.753,5,0.365,0.79,1.0,0.9782485778904805,0.9618514837913782,0.8862569392091015,0.8841580426290179,0.9276287608799945
EOS-4-00505,Fc1ccc(F)c(COc2cncc3nnc(-c4cccc(-c5ccsc5)c4)n23)c1,ALSIHEWWESJNAM-UHFFFAOYSA-N,4,1,0.556,57,962,420.444,5.377,5,0.383,0.8,1.0,0.8870108285929683,0.7511993694743335,0.9499862929202934,0.9528048111849771,0.8852503255431431
EOS-4-00506,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c(F)c1,QLHBZTAQUZYEFF-UHFFFAOYSA-N,4,1,0.543,97,183,416.391,4.106,5,0.429,0.77,1.0,0.8019155643890069,0.7192276060585292,0.8980107600575697,0.8857343567952848,0.8262220718250975
EOS-4-00507,Cc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3ccc(F)cc3F)n12,FPWAAMLEKYOAIU-UHFFFAOYSA-N,4,1,0.506,57,326,429.43,5.019,5,0.393,0.79,1.0,0.8693115619217325,0.8464892742101295,0.9398944554862586,0.9300253580974573,0.8964301624288946
EOS-4-00508,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)ccc2F)nc1,KGUSJRBRERYXDG-UHFFFAOYSA-N,4,1,0.466,73,82,454.347,3.174,5,0.295,0.63,1.0,0.9254506202453567,0.8992786649304366,0.714721403604962,0.717197244876979,0.8141619834144336
EOS-4-00509,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)cn1,BDMBZLLLVUOQGZ-UHFFFAOYSA-N,4,1,0.397,45,274,421.798,4.242,5,0.433,0.76,1.0,0.4257247618394901,0.7192361729833459,0.8884243711877184,0.915255979713522,0.7371603214310192
EOS-4-00510,Fc1ccc(-c2nccn2Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nc1,FCGZMDXDTARRMY-UHFFFAOYSA-N,4,1,0.367,14,315,439.376,4.256,5,0.392,0.74,1.0,0.49242683846206564,0.5235933109451032,0.9606092796929614,0.9395946131176752,0.7290560105544514
EOS-4-00511,Fc1ccccc1-c1nc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncc1F,YIYGRKKHWAUULV-UHFFFAOYSA-N,4,1,0.378,96,315,437.36,4.526,5,0.385,0.71,0.942,0.3510468782125968,0.6039510657254472,0.8884329381125351,0.8937615653485025,0.6842981118497704
EOS-4-00512,CS(=O)(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,UKXSJCNLUWBEBK-UHFFFAOYSA-N,4,1,0.857,23,721,448.426,3.234,4,0.45,0.69,1.0,0.9361507093413748,0.9367246933040916,0.8694657665684326,0.8731067096155164,0.9038619697073539
EOS-4-00513,Fc1cccc(-c2cc(F)cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)c1,VCVXJFDCZGQRRV-UHFFFAOYSA-N,4,1,0.531,59,210,450.836,4.759,5,0.384,0.73,1.0,0.812255842642725,0.8648310602426154,0.8800202179425674,0.9163268453156055,0.8683584915358784
EOS-4-00514,Oc1c(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc(F)c1F,CXWQVMDPQQFPCA-UHFFFAOYSA-N,4,1,0.732,23,86,402.788,4.05,4,0.545,0.77,1.0,0.9974813241038997,0.9957251045164828,0.9505345761085601,0.954818038516894,0.9746397608114592
EOS-4-00515,Fc1cccc(COc2cncc3nnc(-c4ccc(OC(F)F)cn4)n23)c1F,ZVJWFWVXFKNSFH-UHFFFAOYSA-N,4,1,0.5,90,244,405.311,3.645,4,0.456,0.81,1.0,0.9482043725584264,0.9352597491604414,0.97521588650538,0.9646100335823453,0.9558225104516483
EOS-4-00516,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(OCC5CC5)c(F)c4)n23)cn1,UAQHKVUFKIKUBB-UHFFFAOYSA-N,4,1,0.406,78,364,440.429,4.212,5,0.428,0.7,1.0,0.604319443492564,0.6757590295387568,0.6087742443972312,0.5959067233225961,0.621189860187787
EOS-4-00517,COc1cc(-c2nnc3cncc(Oc4cc(F)c(F)cc4Cl)n23)ccc1-c1ccsc1,OURSGNSPIAZVGK-UHFFFAOYSA-N,4,1,0.482,13,209,470.888,6.252,5,0.284,0.72,1.0,0.9391662668768419,0.8922966212048523,0.9727828798574464,0.964618600507162,0.9422160921115756
EOS-4-00518,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3cc(F)c(F)cc3F)n12,QDETYZARMANEDA-UHFFFAOYSA-N,4,1,0.494,59,445,464.432,4.783,5,0.348,0.72,1.0,0.8557329860873141,0.8970084298540196,0.9585360838873278,0.9490182304160099,0.9150739325611679
EOS-4-00519,Fc1ccnc(-c2ncoc2-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,BSVXSANCCXCVFV-UHFFFAOYSA-N,4,1,0.507,96,121,424.342,4.249,5,0.417,0.73,1.0,0.6866732917551915,0.8395757658830786,0.8895809060379686,0.8857429237201014,0.825393221849085
EOS-4-00520,Fc1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)cc1-c1ccccn1,UTQKGLNGZHSGBJ-UHFFFAOYSA-N,4,1,0.522,4,71,449.396,4.299,5,0.382,0.72,1.0,0.8350952642039613,0.8732609142622164,0.7828455897471044,0.7225001713384963,0.8034254848879446
EOS-4-00521,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cn1,JEKZBGYYUASPBL-UHFFFAOYSA-N,4,1,0.355,68,364,406.318,3.701,4,0.382,0.57,1.0,0.467479953395929,0.6414998971969021,0.9579878006990611,0.9173891439928723,0.7460891988211912
EOS-4-00522,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cnccc3Cl)n12,IGFFLZGHVDGMNV-UHFFFAOYSA-N,4,1,0.565,11,0,446.873,4.662,5,0.377,0.73,1.0,0.9429956822698924,0.9513398670413269,0.8266911109588102,0.855064765951614,0.8940228565554109
EOS-4-00523,Fc1ccccc1-c1ncc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)cn1,WVUXUKWXIUCACF-UHFFFAOYSA-N,4,1,0.425,22,315,438.348,3.863,5,0.395,0.74,1.0,0.2913696799396889,0.5325286135288877,0.9106041395380714,0.870099719004866,0.6511505380028785
EOS-4-00524,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccnc(-c4ccnnc4)c3)n12,ZUMVNCSQOYLFGO-UHFFFAOYSA-N,4,1,0.458,13,724,437.797,4.367,5,0.412,0.69,1.0,0.7201956685628127,0.7854242341169214,0.8990302241107532,0.9015831677061202,0.8265583236241518
EOS-4-00525,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)nc1,IVFYXCOWTIUQBF-UHFFFAOYSA-N,4,1,0.602,35,325,465.851,4.196,5,0.347,0.7,1.0,0.9712494003152629,0.972226029744363,0.782854156671921,0.7995767939140566,0.881476595161401
EOS-4-00526,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccnc(-c4nccnc4F)c3)n12,GKWGBBDVYHPVFQ-UHFFFAOYSA-N,4,1,0.471,75,199,436.357,3.035,5,0.387,0.65,1.0,0.8351038311287781,0.7639983551504352,0.6696936467685559,0.6519258446987869,0.730180419436639
EOS-4-00527,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cnc(Br)c(Cl)c4)n23)cc1,XNUBYJJTBMXONG-UHFFFAOYSA-N,4,1,0.731,90,305,496.699,4.825,4,0.341,0.78,1.0,0.9866355972859983,0.9891799739565486,0.9475018847234596,0.940502707148242,0.9659550407785622
EOS-4-00528,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5nc(Cl)ccc5F)n34)ccc2F)nc1,OORBPZTYIZJHKH-UHFFFAOYSA-N,4,1,0.483,73,82,469.814,4.293,5,0.354,0.71,1.0,0.922812007401823,0.9410167226372421,0.8519635391679803,0.8771845658282503,0.8982442087588239
EOS-4-00529,Fc1ccnc(COc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)c1,WYABLZCZNNSVRD-UHFFFAOYSA-N,4,1,0.603,90,255,405.767,4.495,4,0.489,0.76,1.0,0.8493420601740799,0.9610633267082448,0.9810242615310808,0.979704955109314,0.94278365088068
EOS-4-00530,OCc1cc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)ccc1Cl,JRBSEJBEAATPQL-UHFFFAOYSA-N,4,1,0.518,90,708,420.231,3.704,4,0.53,0.76,0.999,0.8693201288465492,0.9237115345075732,0.9338376396408745,0.9482472071825098,0.9187791275443766
EOS-4-00531,Fc1cc(F)c(F)c(CNCc2cncc3nnc(-c4ccc(-c5cnccn5)c(F)c4)n23)c1,XSWLZOPYXJAOQF-UHFFFAOYSA-N,4,1,0.356,45,291,465.414,4.095,5,0.301,0.74,1.0,0.46268247549859504,0.5096806250428346,0.9439894455486258,0.9413251319306422,0.7144194195051745
EOS-4-00532,Fc1ccc(CCOc2cncc3nnc(-c4cnc(Cl)nc4)n23)c(F)c1F,MRNFCEMRSIULPR-UHFFFAOYSA-N,4,1,0.582,90,811,406.755,3.274,4,0.374,0.75,1.0,0.8832842162977178,0.9524535672674936,0.9162840106915222,0.917397710917689,0.9173548762936056
EOS-4-00533,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cn1,GCCOXOYEGUZFGQ-UHFFFAOYSA-N,4,1,0.806,23,281,420.687,4.768,4,0.435,0.79,1.0,0.9683794805016791,0.9793280104173806,0.9298625865259407,0.9615859091220615,0.9597889966417654
EOS-4-00534,Fc1cc(NCc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)ccc1-c1cccnn1,ONRCZFMZMGDRQH-UHFFFAOYSA-N,4,1,0.444,14,476,466.402,4.413,5,0.384,0.78,1.0,0.29137824686450553,0.3876790487286684,0.9511685285449935,0.8896494414365019,0.6299688163936673
EOS-4-00535,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)nc1,YAEHVIMUYLHQQW-UHFFFAOYSA-N,4,1,0.595,35,325,465.851,4.196,5,0.347,0.68,1.0,0.9782571448152971,0.9734596669179632,0.7911726406689055,0.8103539853334247,0.8883108594338976
EOS-4-00536,CCc1cc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCc3cc(F)ccc3F)n12,VFIGSUYUDZKNDH-UHFFFAOYSA-N,4,1,0.512,59,293,462.435,4.807,5,0.361,0.67,1.0,0.9188198204372559,0.8970169967788363,0.8850747035844013,0.8619268727297649,0.8907095983825646
EOS-4-00537,N#Cc1cc(COc2cncc3nnc(-c4cccc(-c5ccccn5)c4)n23)ccc1F,XVTTWCXGRLWQEQ-UHFFFAOYSA-N,4,1,0.541,1,709,422.423,4.443,5,0.416,0.74,1.0,0.920181961483106,0.8430539373586458,0.9162925776163389,0.8979422246590364,0.8943676752792817
EOS-4-00538,Fc1ccc(-c2cccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)c2)nc1,AZAYJZZKHWOAPF-UHFFFAOYSA-N,4,1,0.506,57,666,434.381,4.245,5,0.385,0.76,1.0,0.6807107120827908,0.7768658762250702,0.8931533136865191,0.8896580083613186,0.8100969775889246
EOS-4-00539,Fc1cc(-c2nnc3cncc(OCCc4ccc(Oc5cnccn5)nc4)n23)ccc1Cl,WWXDAIUSMHKDIH-UHFFFAOYSA-N,4,1,0.701,35,619,463.86,4.183,5,0.354,0.7,1.0,0.952187992598177,0.9696559522993626,0.7356418340072648,0.6868617641011583,0.8360868857514907
EOS-4-00540,OCc1ncc(-c2cncc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)c2)cn1,GOBLAOGLHIJRTH-UHFFFAOYSA-N,4,1,0.414,2,995,467.823,3.86,5,0.415,0.58,1.0,0.7261753820848468,0.7684874237543692,0.8451956685628127,0.834949626482078,0.7937020252210267
EOS-4-00541,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)cnc1Cl,GRCHBIYQJHIJLM-UHFFFAOYSA-N,4,1,0.432,13,724,485.281,5.934,5,0.294,0.66,0.989,0.8516465629497636,0.8970255637036529,0.9552206839832773,0.9585703515865944,0.9156157905558221
EOS-4-00542,NC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(OC(F)(F)F)c4)n23)cc1F,VXJCSDSCPDDYMX-UHFFFAOYSA-N,4,1,0.444,66,678,446.364,3.54,4,0.439,0.86,1.0,0.747318552532383,0.8360461928586115,0.9594784456171612,0.8966486190117195,0.8598729525049688
EOS-4-00543,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCc4cc(F)cnc4F)n23)nc1,UCMKNVWJGZIAJG-UHFFFAOYSA-N,4,1,0.446,73,915,436.357,3.035,5,0.387,0.75,0.947,0.8019241313138236,0.7684959906791858,0.6860222054691248,0.6953173188952094,0.7379399115893359
EOS-4-00544,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncccc1F,VMNMEXVBLXPTDV-UHFFFAOYSA-N,4,1,0.63,35,595,430.418,4.148,5,0.403,0.73,1.0,0.9507915838530601,0.9322698923994243,0.8100969775889246,0.8039459255705572,0.8742760948529915
EOS-4-00545,Fc1cccc(F)c1COc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,LWDSLTIFSGYXNW-UHFFFAOYSA-N,4,1,0.543,97,183,416.391,4.106,5,0.429,0.72,1.0,0.820068878075526,0.695377287368926,0.885083270509218,0.8744088821876499,0.81873457953533
EOS-4-00546,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1Cl,LRMDGRLQTWFCMC-UHFFFAOYSA-N,4,1,0.562,90,708,415.215,4.083,4,0.499,0.71,1.0,0.9174062778425056,0.9583561784661778,0.9621084915358783,0.972328832842163,0.9525499451716811
EOS-4-00547,OCc1cccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)c(F)c4F)n23)n1,VAWWJNOLGLARJG-UHFFFAOYSA-N,4,1,0.311,45,140,434.381,3.825,5,0.433,0.67,0.88,0.38576862449455146,0.5325371804537044,0.8895894729627852,0.8883301350147351,0.6740563532314441
EOS-4-00548,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)ccc1Cl,XUYOCOOVYNVKRA-UHFFFAOYSA-N,4,1,0.653,23,385,438.677,4.907,4,0.414,0.75,1.0,0.9779658693715304,0.985530463984648,0.9405969433212255,0.9714293057364128,0.9688806456034541
EOS-4-00549,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)c1,UTAGQRHJPOFOAJ-UHFFFAOYSA-N,4,1,0.529,73,817,453.359,3.779,5,0.296,0.66,1.0,0.6590792269207045,0.8061561921732575,0.910612706462888,0.9040247412788706,0.8199682167089302
EOS-4-00550,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5c(F)cncc5F)nc4)n23)ccn1,GIVDJBBYMZGPJZ-UHFFFAOYSA-N,4,1,0.538,35,76,449.396,3.682,5,0.365,0.69,1.0,0.9279692961414571,0.942310328284559,0.8266996778836269,0.8103625522582414,0.8768354636419711
EOS-4-00551,N#Cc1cc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)ccc1Cl,TWOSLPDSVLYMAW-UHFFFAOYSA-N,4,1,0.543,90,708,415.215,4.083,4,0.499,0.75,1.0,0.8923651566033857,0.9513484339661435,0.9518110479062436,0.967582756493729,0.9407768487423755
EOS-4-00552,FC(F)c1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1Cl,FMPQQZGSHVAHIT-UHFFFAOYSA-N,4,1,0.562,90,281,437.237,4.447,4,0.444,0.68,0.998,0.9147590980741553,0.9667517647865123,0.9210557878144061,0.9311219244739908,0.9334221437872661
EOS-4-00553,COc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1ccsc1,MVZLLEOOESJAFS-UHFFFAOYSA-N,4,1,0.488,13,209,470.888,6.252,5,0.304,0.73,1.0,0.9361592762661914,0.8789236515660338,0.9657751353574121,0.9534987320951271,0.9335891988211911
EOS-4-00554,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)cc3F)n12,ONTJXLRUTSHNFL-UHFFFAOYSA-N,4,1,0.565,11,0,430.418,4.148,5,0.403,0.81,1.0,0.9228205743266397,0.920079158385306,0.8286700705914605,0.8208741690082928,0.8731109930779246
EOS-4-00555,CC(C)(C)Cc1ncc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nn1,AMONVBQVUJRJAH-UHFFFAOYSA-N,4,1,0.386,66,455,427.434,4.175,4,0.486,0.7,1.0,0.3582345281337811,0.43416318278390786,0.795284764580906,0.6170670276197656,0.5511873757795902
EOS-4-00556,OCc1cc(-c2cncnc2F)cc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)c1,CTHULSTXNMMLCU-UHFFFAOYSA-N,4,1,0.454,73,817,465.395,3.132,5,0.381,0.57,1.0,0.7047066684942773,0.6710900555136728,0.8906603385648687,0.8518264683709136,0.7795708827359331
EOS-4-00557,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2F)nc1,GZLWEYFFCUIUEL-UHFFFAOYSA-N,4,1,0.593,73,82,435.369,3.64,5,0.416,0.69,1.0,0.8516551298745803,0.864839627167432,0.8019326982386402,0.8016671235693236,0.830023644712494
EOS-4-00558,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)nn1,DJRAIDQZTIHZJB-UHFFFAOYSA-N,4,1,0.556,58,981,464.411,3.679,5,0.375,0.72,1.0,0.8070128846549243,0.8528802001233637,0.8305633609759441,0.6839490096634911,0.7936013638544308
EOS-4-00559,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)c(F)c2)nc1,NZQKXELZRPAZHP-UHFFFAOYSA-N,4,1,0.512,73,82,453.359,3.779,5,0.296,0.7,1.0,0.8469090535261462,0.8840809403056679,0.8667928860256322,0.8633832499485985,0.8652915324515111
EOS-4-00560,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,UDMKXXYRWQUBRV-UHFFFAOYSA-N,4,1,0.57,90,281,418.791,3.458,4,0.454,0.78,1.0,0.9241655815228565,0.9410252895620588,0.8519721060927969,0.8247292851757932,0.8854730655883764
EOS-4-00561,Fc1ccnc(COc2cncc3nnc(-c4ccc(F)c(-c5ncncc5F)c4)n23)c1,OHSYLFIDAYDSDH-UHFFFAOYSA-N,4,1,0.54,73,71,435.369,3.64,5,0.416,0.67,0.994,0.8227417586183263,0.8619354396545816,0.8503529573024468,0.8482454937975464,0.8458189123432253
EOS-4-00562,OCc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1Cl,PNXPKVJXHXKEFK-UHFFFAOYSA-N,4,1,0.512,90,708,420.231,3.704,4,0.53,0.78,1.0,0.8832927832225345,0.9104242341169214,0.9238828730039065,0.942053320540059,0.9149133027208554
EOS-4-00563,CC(c1ccc(F)c(OC(F)F)c1)c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,CREFGQLCYQXZIO-UHFFFAOYSA-N,4,1,0.412,90,473,463.847,4.687,4,0.377,0.59,0.253,0.5305924885203207,0.4066376533479542,0.962117058460695,0.9326468370913576,0.7079985093550819
EOS-4-00564,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)ccc1OC(F)F,MGXBHYWWBHGJPM-UHFFFAOYSA-N,4,1,0.543,27,817,483.385,4.102,5,0.319,0.72,1.0,0.846917620450963,0.9352683160852581,0.9345829620999246,0.9027654033308203,0.9048835754917416
EOS-4-00565,Cc1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)c(Br)c1,WGWRESFSMRWLOK-UHFFFAOYSA-N,4,1,0.449,48,678,460.282,5.076,4,0.435,0.82,1.0,0.4603437050236447,0.6136059899938319,0.9338462065656912,0.897950791583853,0.7264366732917552
EOS-4-00566,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c(F)c2)nn1,WTBNJVKWOADZSZ-UHFFFAOYSA-N,4,1,0.7,88,70,449.396,3.682,5,0.391,0.68,1.0,0.9683880474264958,0.9716863134809129,0.7666455349187855,0.7813720786786376,0.8720229936262079
EOS-4-00567,FC(F)(F)c1ccc2nnc(Cc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2n1,QFMXQYOOXLPKPE-UHFFFAOYSA-N,4,1,0.407,68,455,431.769,2.887,5,0.405,0.74,0.999,0.3070043177301076,0.4427815091494757,0.6589764238229046,0.6925330683297923,0.52532382975807
EOS-4-00568,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)ccc1F,PMYSPGAKPUUPKP-UHFFFAOYSA-N,4,1,0.628,90,400,429.242,4.125,4,0.474,0.73,1.0,0.9801076005756973,0.9855390309094647,0.8980193269823864,0.9269069974641903,0.9476432389829346
EOS-4-00569,CC(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cn1,KYFSGDDPFXIZJL-UHFFFAOYSA-N,4,1,0.75,48,240,415.831,4.573,4,0.461,0.85,1.0,0.9536443698170105,0.9727828798574464,0.960617846617778,0.9217839764238229,0.9522072681790146
EOS-4-00570,O=C(NC1CC1)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,PGZGLQVBNWYKGQ-UHFFFAOYSA-N,4,1,0.419,0,264,437.425,4.293,5,0.506,0.91,1.0,0.4626910424234117,0.4294856418340073,0.9220752518675897,0.8937701322733191,0.6770055170995819
EOS-4-00571,Fc1ccc(-c2cccc(-c3nnc4cncc(OCCc5cccnc5F)n34)c2)nc1,CKDLLORTUCDZJS-UHFFFAOYSA-N,4,1,0.551,11,201,430.418,4.148,5,0.377,0.77,1.0,0.9201905284079227,0.8590569529161812,0.7952933315057227,0.7859296826811047,0.8401176238777328
EOS-4-00572,Cc1ccnc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1F,YSUUPPPDLGIENK-UHFFFAOYSA-N,4,1,0.531,66,12,403.339,4.232,4,0.477,0.78,1.0,0.937101637996025,0.9291429648413405,0.9896682886710986,0.9714378726612295,0.9568376910424233
EOS-4-00573,Fc1cc(-c2ncccc2F)ccc1-c1nnc2cncc(OCc3csc(Cl)c3)n12,CQGPAGKMNHJVAS-UHFFFAOYSA-N,4,1,0.488,59,89,455.877,5.425,5,0.354,0.71,1.0,0.9056524569940374,0.9124288945240216,0.9256219587416901,0.9370930710712083,0.9201990953327394
EOS-4-00574,Fc1ccc(-n2ncc(-c3cncc4nnc(-c5ccc(Cl)c(C(F)F)c5)n34)n2)cc1,AHUUPROCLKBGTH-UHFFFAOYSA-N,4,1,0.354,22,730,441.804,4.769,5,0.401,0.65,0.979,0.1380131587965184,0.4869354396545816,0.94999485984511,0.9622112946336783,0.6342886882324721
EOS-4-00575,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)n1,JRCNFKSUZBBULA-UHFFFAOYSA-N,4,1,0.467,73,82,436.357,3.035,5,0.387,0.71,1.0,0.9056610239188541,0.8893752998423686,0.6116869988348982,0.6017579329723802,0.7521203138921253
EOS-4-00576,CCNCCc1ccc(COc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)c(F)c1,WTPYFVCSXYYFNZ-UHFFFAOYSA-N,4,1,0.494,23,627,445.42,4.079,4,0.252,0.79,1.0,0.5869457199643616,0.49145020903296555,0.9399030224110754,0.9163354122404221,0.7336585909122062
EOS-4-00577,N#Cc1ncc(-c2ccc(-c3nnc4cncc(COc5cccnc5F)n34)cn2)cc1C(F)F,MDRUKBYOWZCDHB-UHFFFAOYSA-N,4,1,0.364,85,767,474.406,4.171,5,0.337,0.71,1.0,0.7620108285929683,0.7854328010417381,0.9077170858748543,0.8482540607223631,0.8258536940579809
EOS-4-00578,Fc1cccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)c1F,CWTJPURDLXSIQY-UHFFFAOYSA-N,4,1,0.537,23,385,422.222,4.393,4,0.447,0.77,1.0,0.9241741484476732,0.9504403399355768,0.9281320677129737,0.9562058803371941,0.9397381091083544
EOS-4-00579,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cnn2)cnn1,CPMMCKUZDOCEME-UHFFFAOYSA-N,4,1,0.605,59,294,436.357,3.035,5,0.414,0.51,1.0,0.8538996641765472,0.84970187101638,0.8339815639777945,0.8308289356452607,0.8421030087039957
EOS-4-00581,Fc1ccc(COc2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)cc1F,IISYDOHTLLUEHH-UHFFFAOYSA-N,4,1,0.647,84,393,460.444,4.06,5,0.345,0.82,1.0,0.887019395517785,0.8732694811870331,0.8608731409773148,0.7905900897813721,0.8529380268658763
EOS-4-00582,FC(F)Oc1ccc(-c2nnc3cncc(CCc4cccc(Cc5ccncc5)n4)n23)cc1,MKJBSLBEBPAANJ-UHFFFAOYSA-N,4,1,0.603,14,886,458.472,4.559,5,0.339,0.74,1.0,0.7169402371324789,0.772642382290453,0.8019412651634569,0.7669368103625522,0.7646151737372353
EOS-4-00583,Fc1cc(-c2nnc3cncc(OCc4c(F)ccnc4Cl)n23)cc(-c2ccncn2)n1,PRWZUNRYNKJMSN-UHFFFAOYSA-N,4,1,0.451,24,486,452.812,3.549,5,0.373,0.58,0.952,0.8736978274278665,0.8061647590980742,0.7407305873483654,0.7566907682818176,0.794320985539031
EOS-4-00584,FCc1cc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)ccc1Cl,WAIRUFWIRIXNIB-UHFFFAOYSA-N,4,1,0.524,90,255,405.767,4.166,4,0.498,0.72,1.0,0.9087536837776712,0.9652268521691454,0.9524107326434104,0.9579706668494278,0.9460904838599137
EOS-4-00585,N#Cc1nc(CCOc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)ccc1F,WDRKLEDFHCGQIE-UHFFFAOYSA-N,4,1,0.5,23,281,414.322,3.236,4,0.368,0.64,1.0,0.9529161812075937,0.9380954012747584,0.9345915290247413,0.930033925022274,0.9389092591323418
EOS-4-00586,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)cc1Cl,FGTUYPIYVBWMCF-UHFFFAOYSA-N,4,1,0.512,13,573,419.807,4.228,5,0.43,0.71,1.0,0.7679391405661024,0.7101038311287781,0.840415324515112,0.8633918168734152,0.7954625282708518
EOS-4-00587,Cn1nc(C(F)(F)F)c(F)c1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,XSRNLPAHRSGRGW-UHFFFAOYSA-N,4,1,0.625,68,255,426.761,3.915,4,0.463,0.69,1.0,0.704715235419094,0.8840895072304845,0.9439980124734425,0.9152645466383387,0.8620168254403399
EOS-4-00588,CCc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)ccc1F,XMSVOLBLWZEUCA-UHFFFAOYSA-N,4,1,0.689,48,378,421.863,4.639,4,0.453,0.81,1.0,0.9798163251319306,0.9910047289424988,0.9487440888218766,0.9386779521622918,0.9645607737646494
EOS-4-00589,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)ccn1,XOSBQRHJKWTVIS-UHFFFAOYSA-N,4,1,0.581,11,595,430.418,4.148,5,0.377,0.75,1.0,0.9646100335823453,0.9513570008909602,0.8339901309026112,0.8208827359331095,0.8927099753272565
EOS-4-00590,Cc1ccnc(Oc2ccc(-c3cncc4nnc(-c5ccc(C(F)F)cc5F)n34)nc2)n1,SDNZNZLGEDTJKM-UHFFFAOYSA-N,4,1,0.321,96,315,449.396,4.821,5,0.38,0.78,1.0,0.6071122609827976,0.7379377698581318,0.8826930984853677,0.8149030224110754,0.7606615379343431
EOS-4-00591,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ncccc4F)cc3)n12,AWKJXYSSURQYFM-UHFFFAOYSA-N,4,1,0.573,11,201,430.418,4.148,5,0.403,0.74,1.0,0.9576194229319444,0.9381039681995751,0.8212511137002262,0.8189294770749092,0.8839759954766637
EOS-4-00592,CC(F)(F)c1ncc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)cn1,JYGIFFGCQKYWDK-UHFFFAOYSA-N,4,1,0.34,68,811,419.798,4.098,4,0.524,0.81,1.0,0.25898670413268454,0.35414810499623056,0.8837896648619011,0.810371119183058,0.5768238982934686
EOS-4-00593,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)nc3)n12,JEGMFLIEQZHGKN-UHFFFAOYSA-N,4,1,0.435,13,724,472.242,5.021,5,0.363,0.75,0.989,0.8280189843053938,0.8970341306284696,0.8980278939072031,0.9238314714550065,0.8867281200740182
EOS-4-00594,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1F,HRNHUQUMKXRIQZ-UHFFFAOYSA-N,4,1,0.543,24,912,416.391,4.106,5,0.429,0.7,1.0,0.8581145911863477,0.7512079363991502,0.8593996299088479,0.8446216846000959,0.8283359605236104
EOS-4-00595,Fc1cc(C(F)F)ccc1-c1nnc2cncc(Cc3nncc(-c4cccnc4)n3)n12,PSAYDPXQHOATCM-UHFFFAOYSA-N,4,1,0.357,85,81,434.385,3.706,5,0.416,0.59,1.0,0.42573332876430675,0.560782331574258,0.7734648070728531,0.7952590638064561,0.6388098828044685
EOS-4-00596,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nc1,FSEGTAANNWNYOB-UHFFFAOYSA-N,4,1,0.63,1,676,470.436,4.787,5,0.353,0.71,1.0,0.7412017682132822,0.8464978411349462,0.9500034267699267,0.8870793639915016,0.8561956000274142
EOS-4-00597,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnc(C(F)F)nc5)cn4)n23)cc1F,ZKGIMLXJVVGOSC-UHFFFAOYSA-N,4,1,0.607,84,308,481.413,4.481,5,0.317,0.7,1.0,0.9328096086628743,0.9219124802960729,0.8931618806113357,0.8482626276471797,0.8990366493043656
EOS-4-00598,Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)c1F,GQMVJOQSSRWCSJ-UHFFFAOYSA-N,4,1,0.477,24,28,448.408,4.553,5,0.367,0.66,1.0,0.8628092659858817,0.8840980741553012,0.887353505585635,0.8634003837982318,0.8744153073812624
EOS-4-00599,N#Cc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1Cl,AGSDGUHTTBICMC-UHFFFAOYSA-N,4,1,0.543,90,708,415.215,4.083,4,0.499,0.71,1.0,0.9087622507024878,0.9481958056336097,0.9452487834966761,0.9634963333561785,0.9414257932972381
EOS-4-00600,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(Oc4cnccn4)cc3F)n12,BFMJVNLIPGAUOQ-UHFFFAOYSA-N,4,1,0.54,35,161,447.405,3.668,5,0.373,0.69,1.0,0.8944212185593859,0.8762079363991502,0.7481324103899664,0.6839575765883079,0.8006797854842027
EOS-4-00601,N#Cc1cc(-c2nnc3cncc(OCc4ncc(F)cc4Cl)n23)ccc1Cl,KRSJHQQTXZENEJ-UHFFFAOYSA-N,4,1,0.543,90,708,415.215,4.083,4,0.499,0.73,1.0,0.8977109176889864,0.9460283736549928,0.9452573504214927,0.9646271674319786,0.9384059522993626
EOS-4-00602,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccnc(F)c1,QDDRNNQYCOIFSM-UHFFFAOYSA-N,4,1,0.544,35,161,455.428,4.02,5,0.356,0.58,1.0,0.9640874511685286,0.9504489068603934,0.9132598862312384,0.895192241792886,0.9307471215132617
EOS-4-00603,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1,WDRVBLMVLFMKKC-UHFFFAOYSA-N,4,1,0.77,48,305,417.803,4.063,4,0.422,0.81,1.0,0.9890600370091152,0.9852820231649647,0.9013432938112536,0.8923737235282023,0.9420147693783839
EOS-4-00604,N#Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)cn2)c1,LOHJMMLPTVUMID-UHFFFAOYSA-N,4,1,0.471,97,980,441.401,3.977,5,0.407,0.78,1.0,0.9056695908436707,0.870613734493866,0.907725652799671,0.8979593585086697,0.8954920841614693
EOS-4-00605,Fc1cc(F)c(F)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,BQNHTKNNFWLISB-UHFFFAOYSA-N,4,1,0.59,91,660,453.449,4.954,5,0.34,0.68,1.0,0.9635049002809951,0.961860050716195,0.9321670893016243,0.9217925433486396,0.9448311459118635
EOS-4-00606,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cn1,QVHVNHYRLGLWLN-UHFFFAOYSA-N,4,1,0.387,68,364,411.803,3.809,4,0.507,0.58,1.0,0.4440322801727092,0.6184291686656158,0.9068775272428209,0.8534027825371805,0.7056854396545816
EOS-4-00607,Cc1ccc(F)cc1COc1cncc2nnc(-c3ccc(-c4ccnc(F)n4)cc3)n12,QKVQSMYIDKTYRF-UHFFFAOYSA-N,4,1,0.56,1,178,430.418,4.414,5,0.384,0.76,1.0,0.960309437324378,0.8992872318552533,0.8749571653759166,0.8266996778836269,0.8903133781097936
EOS-4-00608,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Br)nc4)n23)ccc1Cl,IUJLFMAFKPZKNN-UHFFFAOYSA-N,4,1,0.645,90,636,455.703,4.095,4,0.421,0.76,1.0,0.9652182852443287,0.9806644506887807,0.8668014529504489,0.8744174491124665,0.9217754094990063
EOS-4-00609,O=C(c1ccc(F)cc1)c1cccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c1F,OKQVOVOYDDSQPO-UHFFFAOYSA-N,4,1,0.517,57,397,475.43,4.456,5,0.324,0.77,1.0,0.8777242820917004,0.8020526351860736,0.880028784867384,0.8799345486944007,0.8599350627098896
EOS-4-00610,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)c1,KWBTVHVQSYVTGJ-UHFFFAOYSA-N,4,1,0.548,73,71,435.369,3.64,5,0.389,0.69,1.0,0.8445531492015627,0.8676495785072991,0.8057364128572407,0.7905986567061888,0.8271344493180728
EOS-4-00611,N#Cc1cc(-c2nnc3cncc(OCCc4cccc(-c5ccccn5)c4)n23)ccc1Cl,DTIYNFCMWMFZLZ-UHFFFAOYSA-N,4,1,0.634,91,660,452.905,5.0,5,0.36,0.8,1.0,0.9846994722774313,0.9836029059008978,0.889598039887602,0.8909002124597355,0.9372001576314166
EOS-4-00612,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)c(F)n1,HVCSNPWENMGRAK-UHFFFAOYSA-N,4,1,0.506,58,28,449.396,3.682,5,0.365,0.62,1.0,0.902465560962237,0.9291515317661572,0.6887036529367419,0.6749623055308067,0.7988207627989856
EOS-4-00613,Cc1cc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)ccc1Cl,CGVGCPNFDWIFAH-UHFFFAOYSA-N,4,1,0.846,48,231,443.732,5.137,4,0.429,0.84,1.0,0.9859673771502981,0.990096634911932,0.9077342197244876,0.9163439791652388,0.9500355527379891
EOS-4-00614,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)cnn2)c(F)c1,PZYBDOSYTFSAAE-UHFFFAOYSA-N,4,1,0.494,59,772,435.369,3.64,5,0.416,0.66,1.0,0.7820402988143376,0.8292354876293606,0.8942755808375026,0.8991844287574532,0.8511839490096634
EOS-4-00615,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ccn2)nc1,UYYJSTOLXMWKJS-UHFFFAOYSA-N,4,1,0.477,73,775,452.812,3.549,5,0.399,0.57,1.0,0.8833013501473511,0.809831402919608,0.7071054074429443,0.7305702145157974,0.7827020937564252
EOS-4-00616,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)cc(Cl)n2)nc1,GSSYGHYDNQXLRJ-UHFFFAOYSA-N,4,1,0.517,58,583,465.851,4.196,5,0.347,0.65,0.999,0.9553748886299774,0.9237201014323898,0.7550716194914674,0.7835823452813379,0.8544372387087931
EOS-4-00617,COc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)cn2)nc1,AFAIIEGDFIVJIY-UHFFFAOYSA-N,4,1,0.378,96,121,449.396,4.396,5,0.368,0.6,0.997,0.5407357275032554,0.6953858542937427,0.8624323212939483,0.7645038037146186,0.7157644267013912
EOS-4-00618,CC(C)(C)NCCc1ccc(COc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)cc1,GHKHUKPJZONVHH-UHFFFAOYSA-N,4,1,0.506,23,378,455.484,4.718,4,0.409,0.8,1.0,0.7648721814817353,0.5513244465766568,0.92474813241039,0.8227674593927764,0.7659280549653896
EOS-4-00619,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)cc1,KCGDZTAZVVUJRH-UHFFFAOYSA-N,4,1,0.612,11,161,430.418,4.148,5,0.403,0.74,1.0,0.9293999725858406,0.8946867932287026,0.8484510999931465,0.8482711945719964,0.8802022650949215
EOS-4-00620,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)c1,HKIBLERWJWFGAZ-UHFFFAOYSA-N,4,1,0.523,73,71,435.369,3.64,5,0.389,0.71,1.0,0.8469261873757796,0.8814680282365842,0.8019498320882736,0.7952676307312727,0.8314029196079775
EOS-4-00621,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncno5)cc4)n23)c(Cl)c1F,QIFFVQQHOHNTMQ-UHFFFAOYSA-N,4,1,0.53,59,607,458.787,4.491,5,0.283,0.69,1.0,0.9160270029470221,0.8619440065793983,0.952419299568227,0.9460712082790761,0.9191153793434309
EOS-4-00622,Fc1c(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccnc1Br,IXEIUXNOXXSQPZ-UHFFFAOYSA-N,4,1,0.571,90,281,449.671,3.758,4,0.432,0.66,1.0,0.8539082311013638,0.965235419093962,0.740739154273182,0.7765317661572202,0.834103642656432
EOS-4-00623,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cscn4)c(Cl)c3)n12,RWRJQEDVUAPOPG-UHFFFAOYSA-N,4,1,0.531,57,332,472.332,5.94,5,0.317,0.77,1.0,0.9418305804948256,0.9237286683572065,0.9464824206702762,0.9661178123500788,0.9445398704680968
EOS-4-00624,N#Cc1cc(-c2nnc3cncc(OCCc4cncc(Br)c4)n23)ccc1Cl,YWTUZHQIIOVHGW-UHFFFAOYSA-N,4,1,0.612,90,281,455.703,4.095,4,0.45,0.74,1.0,0.9652268521691454,0.9734682338427798,0.8652165718593654,0.8828044685079843,0.9216790315948187
EOS-4-00625,Cc1c(F)ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cn5)c4)n23)c1F,ISRGUTDPQDHUBK-UHFFFAOYSA-N,4,1,0.5,59,912,464.863,5.067,5,0.361,0.71,1.0,0.9328181755876911,0.8867709546981015,0.9281406346377904,0.9185285449934891,0.916564577479268
EOS-4-00626,Fc1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1ccccn1,SMGKEPLCEROBFL-UHFFFAOYSA-N,4,1,0.505,11,490,448.408,4.287,5,0.386,0.74,1.0,0.9515026386128436,0.9472448769789596,0.8562555685011308,0.8650795010622987,0.9050206462888082
EOS-4-00627,Fc1cccc(COc2cncc3nnc(-c4cncnc4-c4cc(Cl)c(Cl)cn4)n23)c1F,GPJZEEGHJXUHSU-UHFFFAOYSA-N,4,1,0.462,59,910,486.269,4.807,5,0.352,0.73,0.999,0.8423685833733123,0.8137464875608251,0.9190853951065725,0.9452916181207593,0.8801230210403672
EOS-4-00628,Clc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cccs5)c4)n23)c(Cl)c1,BQZGAYNXRNQXRB-UHFFFAOYSA-N,4,1,0.4,45,358,471.8,7.071,5,0.281,0.73,1.0,0.3835155232677678,0.6271845658282503,0.9682167089301624,0.9897710917688987,0.7421719724487699
EOS-4-00630,N#Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(F)c5F)cn4)n23)cn1,WTRRVMDCAFMNJZ-UHFFFAOYSA-N,4,1,0.343,96,586,427.374,4.19,5,0.424,0.76,1.0,0.5587948050167911,0.7101123980535947,0.9106212733877047,0.8966571859365362,0.7690464155986567
EOS-4-00631,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)ncc1Cl,WSJJHFAKQCMGSY-UHFFFAOYSA-N,4,1,0.442,13,724,485.281,5.934,5,0.314,0.64,1.0,0.869328695771366,0.9038534027825372,0.9505431430333767,0.9574395175107944,0.9202911897745185
EOS-4-00632,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)cc4F)n23)c1,CCOQIBHPDSMFPM-UHFFFAOYSA-N,4,1,0.516,11,490,448.408,4.287,5,0.386,0.71,1.0,0.9391748338016586,0.9460369405798095,0.8562641354259475,0.8666643821533823,0.9020350729901995
EOS-4-00633,CC#Cc1cc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)ccc1Cl,URFPXPFYQQKXKN-UHFFFAOYSA-N,4,1,0.786,48,231,467.754,5.2,4,0.379,0.79,1.0,0.980116167500514,0.9901052018367487,0.9385323144404085,0.9300424919470907,0.9596990439311903
EOS-4-00634,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2)cn1,GDRTXGQTOMXUTN-UHFFFAOYSA-N,4,1,0.568,35,161,431.406,3.543,5,0.38,0.72,1.0,0.9561116441642108,0.9381125351243917,0.7782194503461037,0.7333544650812145,0.8514495236789803
EOS-4-00635,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4cc(Cl)cnn4)nc3)n12,LUAQIJNJFRCBRN-UHFFFAOYSA-N,4,1,0.43,13,724,472.242,5.021,5,0.363,0.66,0.999,0.8280275512302104,0.8590655198409979,0.909661777808238,0.9353454184086081,0.8830250668220136
EOS-4-00636,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)c(F)c1,IIBPQKNUHUYYHY-UHFFFAOYSA-N,4,1,0.542,97,183,416.391,4.106,5,0.429,0.8,1.0,0.8516636967993969,0.7896991296004386,0.8896066068124187,0.8799431156192173,0.8527281372078679
EOS-4-00637,Cc1ccc(-c2nnc3cncc(Cc4cccc(-c5ccc(C(F)(F)F)nn5)c4)n23)cn1,OEURETSFAGSQLV-UHFFFAOYSA-N,4,1,0.395,14,476,447.424,4.561,5,0.402,0.84,1.0,0.32213350695634296,0.4341717497087246,0.9298711534507573,0.8482797614968131,0.6336140429031595
EOS-4-00638,FC(F)c1cc(-c2nnc3cncc(OCCc4cnc(Br)cn4)n23)ccc1Cl,HAZDKFLCNXDIGI-UHFFFAOYSA-N,4,1,0.562,90,281,481.688,4.556,4,0.402,0.71,0.998,0.9040504420533205,0.9667603317113289,0.8906689054896855,0.8857514906449181,0.9118077924748133
EOS-4-00640,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C#N)c(Cl)c4)n23)cn1,YJTAAOWTGWVLLG-UHFFFAOYSA-N,4,1,0.403,68,364,411.803,3.809,4,0.507,0.56,1.0,0.4371444726201083,0.5697690357069426,0.9068860941676375,0.8500788157083133,0.6909696045507504
EOS-4-00641,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)cc2F)nc1,HKSDRCXYZKHKCS-UHFFFAOYSA-N,4,1,0.548,73,82,435.369,3.64,5,0.389,0.74,1.0,0.8795319032280172,0.8648481940922487,0.7782280172709204,0.769498320882736,0.8230266088684806
EOS-4-00642,Fc1cc(Cc2cncc3nnc(-c4cnc(Cl)nc4)n23)ccc1-c1ncc(Cl)cn1,PQNOXXUWKXBURX-UHFFFAOYSA-N,4,1,0.354,73,260,453.268,4.075,5,0.379,0.71,1.0,0.45594030566787747,0.5280481118497704,0.6887122198615585,0.7813806456034542,0.6135203207456652
EOS-4-00643,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cccnc1F,LVTJBSHNMBZYIB-UHFFFAOYSA-N,4,1,0.538,35,161,455.428,4.02,5,0.356,0.64,1.0,0.9590243986018778,0.9524621341923103,0.9035621273387705,0.8813566582139675,0.9241013295867315
EOS-4-00644,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4F)n23)ccn1,KWZRRCCWZRGKKK-UHFFFAOYSA-N,4,1,0.54,58,28,449.396,3.682,5,0.365,0.67,1.0,0.9305822082105407,0.9322784593242409,0.7252672880542801,0.722508738263313,0.8276591734630937
EOS-4-00645,OCc1cc(-c2nccs2)cc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)c1,SVSVTVIKGAECEU-UHFFFAOYSA-N,4,1,0.5,59,445,469.448,4.403,5,0.371,0.71,1.0,0.8557415530121307,0.742546775409499,0.9475104516482763,0.9269155643890069,0.8681785861147282
EOS-4-00646,Fc1ccc(COc2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2)cc1,LOOFRRZKLYASNX-UHFFFAOYSA-N,4,1,0.716,79,397,441.466,4.526,5,0.352,0.84,1.0,0.9465509560688096,0.9381211020492084,0.8652251387841821,0.814911589335892,0.891202196559523
EOS-4-00647,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4F)n23)cc1F,TWRPCGXUBAXKLU-UHFFFAOYSA-N,4,1,0.362,0,188,459.378,4.648,5,0.451,0.88,1.0,0.46992152696867934,0.6415084641217189,0.9779316016722637,0.9759612089644302,0.766330700431773
EOS-4-00648,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)nc1,ZKVVQTCXNYXBOT-UHFFFAOYSA-N,4,1,0.557,27,486,466.383,3.516,5,0.371,0.65,0.971,0.5985367692413132,0.6906654787197588,0.8827016654101844,0.7669453772873689,0.7347123226646564
EOS-4-00649,Fc1cc(CCOc2cncc3nnc(-c4ccc(Oc5ccc(Cl)cn5)cc4)n23)ccn1,NMOKRKYZVONKPO-UHFFFAOYSA-N,4,1,0.571,11,595,462.872,4.788,5,0.321,0.77,1.0,0.965235419093962,0.9652439860187787,0.82491775752176,0.797400795010623,0.888199489411281
EOS-4-00650,Fc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)nc(F)n4)n23)c(F)c1,TVIUNRUMMVRGES-UHFFFAOYSA-N,4,1,0.517,73,817,436.357,3.035,5,0.387,0.67,1.0,0.7762833253375369,0.8814765951614009,0.730424576793914,0.7172058118017957,0.7763475772736619
EOS-4-00651,COC(C)(C)c1ncc(Cc2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)nn1,BXGPXXCHWQKULZ-UHFFFAOYSA-N,4,1,0.366,66,455,447.396,3.607,4,0.432,0.63,1.0,0.5614162840106915,0.5991878555273799,0.8919967788362689,0.7333630320060311,0.6964909875950929
EOS-4-00652,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cc(-c4ccccn4)ncc3Cl)n12,MYZZHRWFUQOGIQ-UHFFFAOYSA-N,4,1,0.435,24,912,468.279,4.668,5,0.346,0.6,1.0,0.8301949832088273,0.8465064080597628,0.8267082448084435,0.8650880679871154,0.8421244260160372
EOS-4-00653,N#Cc1cc(COc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)ccc1F,ZLSBEMTWGWMFOH-UHFFFAOYSA-N,4,1,0.577,23,627,399.307,3.798,4,0.385,0.78,1.0,0.9668974025083956,0.9573795490370777,0.9917671852511822,0.992315468439449,0.9770899013090262
EOS-4-00654,OCc1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(-c2ccc(F)cn2)c1,OZCOEQWMVHTEOO-UHFFFAOYSA-N,4,1,0.505,35,161,460.444,3.64,5,0.396,0.64,1.0,0.8889640874511685,0.797709204304023,0.8484596669179632,0.8149201562607087,0.8375132787334658
EOS-4-00655,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cc1F,OQQFSSBTJJAYQJ-UHFFFAOYSA-N,4,1,0.659,23,721,447.804,3.582,4,0.456,0.77,1.0,0.879540470152834,0.6906740456445755,0.9378469604550751,0.9300510588719073,0.859528133781098
EOS-4-00656,N#Cc1cc(-c2nnc3cncc(COc4cccnc4F)n23)ccc1-c1ccncc1F,YKPNEMUFAYCZDG-UHFFFAOYSA-N,4,1,0.406,14,189,441.401,3.977,5,0.38,0.68,1.0,0.7790847097525873,0.7556199026797341,0.9142793502844219,0.8909087793845522,0.8349731855253238
EOS-4-00657,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)c(F)c1F,AYIQYYLHQJTIOO-UHFFFAOYSA-N,4,1,0.506,59,910,435.369,3.64,5,0.389,0.64,1.0,0.8649081625659654,0.8020612021108903,0.8896151737372353,0.8682235624700158,0.8562020252210267
EOS-4-00658,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc2F)cn1,NVAWDTJLABRBSX-UHFFFAOYSA-N,4,1,0.628,27,996,483.385,4.102,5,0.319,0.71,1.0,0.8944297854842026,0.9661178123500788,0.8968285244328695,0.8634089507230485,0.9051962682475498
EOS-4-00659,FCc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(F)cc5F)n34)cn2)cn1,XLUYTTZXFJBYDW-UHFFFAOYSA-N,4,1,0.517,59,109,449.396,3.97,5,0.387,0.61,1.0,0.7820488657391542,0.8676581454321157,0.7758121444726201,0.7540607223631005,0.7948949695017477
EOS-4-00660,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)cc1F,NESXOJXZDLGEML-UHFFFAOYSA-N,4,1,0.506,73,756,451.824,4.154,5,0.396,0.65,1.0,0.9133112877801385,0.8676667123569324,0.8139777945308752,0.8446302515249127,0.8598965115482147
EOS-4-00661,Fc1ccc(-c2cncnc2-c2nnc3cncc(-c4ncc(F)c(F)n4)n23)cc1F,HOYYUFCWCIJEBU-UHFFFAOYSA-N,4,1,0.289,73,978,424.321,3.262,5,0.324,0.74,0.664,0.3880902611198684,0.46489274210129533,0.793091631827839,0.8518350352957302,0.6244774175861832
EOS-4-00662,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(Br)c4)n23)ccc1Cl,XPMTVDZFIPTHTP-UHFFFAOYSA-N,4,1,0.636,90,636,455.703,4.095,4,0.421,0.7,1.0,0.9652439860187787,0.9813498046741141,0.8721900486601329,0.8784953053252005,0.9243197861695567
EOS-4-00663,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,QCJOYECGVDVVMZ-UHFFFAOYSA-N,4,1,0.488,75,183,433.834,4.015,5,0.413,0.67,1.0,0.8122644095675416,0.7512165033239668,0.8193321225412926,0.8208913028579261,0.8009260845726818
EOS-4-00664,Fc1cnc(Oc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)c(Cl)c1,WKMKBDZDRRZDEN-UHFFFAOYSA-N,4,1,0.374,13,0,442.838,5.034,5,0.388,0.76,1.0,0.804391405661024,0.82540607223631,0.8562727023507641,0.8785038722500171,0.8411435131245288
EOS-4-00665,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cc4F)n23)ccc1-c1ccncc1,YOIBBFUGKYQVBA-UHFFFAOYSA-N,4,1,0.547,97,383,461.884,5.233,5,0.344,0.76,1.0,0.9349513398670414,0.8992957987800699,0.9420704543896923,0.9218011102734562,0.924529675827565
EOS-4-00666,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4F)n23)cc(F)n1,WNGJSZFGNFGYHV-UHFFFAOYSA-N,4,1,0.576,37,626,437.385,3.615,5,0.408,0.68,1.0,0.9160355698718388,0.861952573504215,0.832242478240011,0.812795558906175,0.85575654513056
EOS-4-00667,N#Cc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1OC(F)F,NLTHBEHJGHFCRD-UHFFFAOYSA-N,4,1,0.556,90,305,461.791,3.468,4,0.411,0.67,1.0,0.9201990953327394,0.9635648687547118,0.9116236035912549,0.902773970255637,0.9245403844835858
EOS-4-00668,Fc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1-c1c[nH]cn1,LCKLIWJGPZIGOB-UHFFFAOYSA-N,4,1,0.517,73,772,439.813,4.087,5,0.443,0.65,1.0,0.9418391474196423,0.8327393598793777,0.9142879172092385,0.9194709067233225,0.9020843328078954
EOS-4-00669,Fc1cc(Cl)ncc1-c1nnc2cncc(-c3ccc(Oc4nccnc4F)cn3)n12,JYYLNMPFPDHYTE-UHFFFAOYSA-N,4,1,0.306,50,914,438.785,3.762,5,0.391,0.73,0.865,0.5841015009252278,0.8254146391611267,0.6753306832979233,0.692541635254609,0.6943471146597218
EOS-4-00670,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4cccnn4)nc3)n12,XQNCAYXERDWVOJ-UHFFFAOYSA-N,4,1,0.44,13,724,437.797,4.367,5,0.412,0.7,0.986,0.8070214515797409,0.8497104379411966,0.8519806730176136,0.8634175176478651,0.843032520046604
EOS-4-00671,NC(=O)c1ccc(-c2nnc3cncc(CNc4cc(OC(F)F)ccc4Cl)n23)cc1F,AQKFYNJMXQSDEN-UHFFFAOYSA-N,4,1,0.475,48,678,462.819,3.896,4,0.431,0.8,1.0,0.8070300185045576,0.8789322184908506,0.9329552463847577,0.9085395106572545,0.8818642485093551
EOS-4-00672,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)c2)nn1,LUBRCSUBONEYDX-UHFFFAOYSA-N,4,1,0.54,37,832,450.384,3.077,5,0.389,0.67,1.0,0.9160441367966554,0.9164810499623055,0.7202213693372627,0.7092300047974779,0.8154941402234254
EOS-4-00673,Fc1cnnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)c1,GNBZFWUCAZJHPN-UHFFFAOYSA-N,4,1,0.46,13,251,421.342,3.853,5,0.435,0.72,1.0,0.764880748406552,0.8292440545541773,0.8548334589815639,0.865096634911932,0.8285137242135563
EOS-4-00674,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,YCNMQDZSLKRQAG-UHFFFAOYSA-N,4,1,0.733,48,305,401.348,3.548,4,0.441,0.81,1.0,0.9913217051607155,0.9898310602426154,0.9247566993352067,0.8909173463093688,0.9492067027619765
EOS-4-00675,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4cnc(Cl)cc4F)c3)n12,IUDALHDJQQMGJU-UHFFFAOYSA-N,4,1,0.563,75,161,465.851,4.196,5,0.347,0.6,1.0,0.864916729490782,0.9144849564800219,0.8519892399424303,0.8585429374271811,0.8724834658351038
EOS-4-00676,Cc1cc(-c2nnc3cncc(OCCc4ccc(C(F)F)nc4)n23)ccc1Cl,APWMVTYSQMNKPG-UHFFFAOYSA-N,4,1,0.628,90,636,415.831,4.707,4,0.456,0.78,1.0,0.9669059694332123,0.9744962648207799,0.9385408813652252,0.9120605167569049,0.9480009080940306
EOS-4-00677,N#Cc1cc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)ccc1Cl,ONSCLBNLPHDHNA-UHFFFAOYSA-N,4,1,0.56,90,281,429.242,4.125,4,0.474,0.73,1.0,0.9616544445205949,0.978000137070797,0.9385494482900418,0.9562144472620109,0.958604619285861
EOS-4-00678,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5ncccc5F)c4)n23)cc1F,MAWJLTGAEUXEHO-UHFFFAOYSA-N,4,1,0.541,24,469,435.369,3.64,5,0.416,0.67,1.0,0.7294308135151806,0.7556284696045508,0.8159310533890755,0.8060362552258241,0.7767566479336577
EOS-4-00679,Fc1ccc(COc2cncc3nnc(-c4cnnc(-c5ccc(C(F)(F)F)nn5)c4)n23)nc1,LOIADPKUZIJDQA-UHFFFAOYSA-N,4,1,0.5,53,52,469.362,3.17,5,0.358,0.59,1.0,0.5200723048454526,0.6953944212185594,0.8534370502364471,0.7464961277499829,0.7038499760126105
EOS-4-00680,Fc1cnc(-c2cccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)c(C(F)F)c1,OVAVWUUNNBBYPR-UHFFFAOYSA-N,4,1,0.522,72,202,463.423,4.342,5,0.355,0.68,1.0,0.8795490370776506,0.8789407854156672,0.8787694469193338,0.8408865053800287,0.8695364436981701
EOS-4-00681,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5ccc(F)c(-c6cncnc6)n5)n34)cc2F)c1,JVUMLQPNIZZFFY-UHFFFAOYSA-N,4,1,0.31,32,287,482.429,4.79,6,0.357,0.64,0.816,0.314988691659242,0.4693132753066959,0.8594081968336645,0.8896665752861352,0.6333441847714344
EOS-4-00682,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cn4)n23)cn1,YGQMJQOIUPTFBV-UHFFFAOYSA-N,4,1,0.337,68,364,421.333,3.698,4,0.468,0.64,1.0,0.3221420738811596,0.32987800699061065,0.9716177780823796,0.8966657528613529,0.6300759029538756
EOS-4-00683,Cc1nc(-c2ccccn2)ccc1-c1nnc2cncc(Oc3c(F)cc(Cl)cc3F)n12,ZAXXYLMTCFDJGD-UHFFFAOYSA-N,4,1,0.437,13,724,450.836,5.281,5,0.37,0.66,1.0,0.7876345007196217,0.8465149749845795,0.8534456171612638,0.8567695839901309,0.8360911692138989
EOS-4-00684,Fc1cc(F)c(COc2cncc3nnc(-c4ccnc(-c5cnco5)c4)n23)cc1F,HRCZUKAFHATCOQ-UHFFFAOYSA-N,4,1,0.543,59,577,424.342,3.838,5,0.396,0.67,1.0,0.8671012953190322,0.759749160441368,0.9220838187924063,0.8991929956822698,0.862031817558769
EOS-4-00685,Fc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cc2F)cn1,CNSDMZHBFSQKAZ-UHFFFAOYSA-N,4,1,0.471,55,283,452.812,3.549,5,0.373,0.55,1.0,0.8516722637242136,0.9336491672949078,0.6995750805290932,0.7225173051881296,0.801853454184086
EOS-4-00686,Fc1cc(-c2cc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)ccc2F)cnn1,PQHKNQIHFDZEFH-UHFFFAOYSA-N,4,1,0.5,16,772,452.812,3.549,5,0.373,0.59,1.0,0.8200774450003426,0.8590740867658145,0.8212596806250428,0.8267082448084435,0.8317798642999108
EOS-4-00687,Fc1ccc(-c2nnc3cncc(OCCc4cnc(C(F)(F)F)cn4)n23)cc1-c1ncco1,ADRBCQQIIGRAOP-UHFFFAOYSA-N,4,1,0.522,27,490,471.374,4.016,5,0.342,0.71,1.0,0.8757710232335001,0.8098399698444246,0.8968370913576863,0.7952761976560894,0.8444310705229252
EOS-4-00688,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)c(Cl)c4)n23)cn1,BILUQRGTTMGLTP-UHFFFAOYSA-N,4,1,0.577,97,91,437.887,5.286,5,0.35,0.77,1.0,0.9317301761359742,0.8558700568843808,0.9116321705160716,0.9194794736481393,0.9046779692961414
EOS-4-00689,Fc1cc(F)nc(COc2cncc3nnc(-c4cc(-c5ccccc5F)ccn4)n23)c1,LRSIHMAGFVGGBV-UHFFFAOYSA-N,4,1,0.456,44,560,434.381,4.245,5,0.385,0.73,0.999,0.564448975395792,0.6906826125693921,0.889623740662052,0.90047803440477,0.7613083407580015
EOS-4-00690,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccn2)nn1,JJYRWLXNKKOWMD-UHFFFAOYSA-N,4,1,0.512,59,910,435.369,3.64,5,0.416,0.64,1.0,0.8327736275786444,0.8061733260228908,0.8578918511411144,0.8482883284216298,0.8362817832910698
EOS-4-00691,Oc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccccc1,RILPVGKLKJCGMU-UHFFFAOYSA-N,4,1,0.565,91,660,427.439,4.32,5,0.434,0.68,1.0,0.9328267425125077,0.8528887670481804,0.8159396203138921,0.7974093619354397,0.8497661229525049
EOS-4-00692,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(Br)n34)nc2)nn1,ZIXBXBMGPILKBP-UHFFFAOYSA-N,4,1,0.522,68,861,422.168,3.425,4,0.493,0.83,1.0,0.25608251661983417,0.36386299773833186,0.9096703447330546,0.8328764306764443,0.5906230724419163
EOS-4-00694,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)c(F)c1,PMHVQUOEJSWLJI-UHFFFAOYSA-N,4,1,0.376,0,999,459.378,4.648,5,0.451,0.87,0.994,0.5000085669248167,0.6136145569186485,0.9787111918305805,0.9738965800836132,0.7665577239394148
EOS-4-00695,Fc1cccnc1Oc1cncc2nnc(-c3ccc(Cl)c(-c4ccsc4)c3)n12,GSHKCKLPKTZIEF-UHFFFAOYSA-N,4,1,0.447,13,412,423.86,5.5,5,0.382,0.8,1.0,0.8581231581111645,0.9063635117538208,0.8800373517922007,0.9015917346309369,0.8865289390720307
EOS-4-00696,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnc(F)nn5)cc4F)n23)ccn1,KEOAJZXBICJNGJ-UHFFFAOYSA-N,4,1,0.563,37,626,450.384,3.077,5,0.364,0.61,1.0,0.9228291412514564,0.9291600986909739,0.7122798300322116,0.6953258858200261,0.814898738948667
EOS-4-00697,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)nc1,LRGOZDSMHWJLAT-UHFFFAOYSA-N,4,1,0.512,90,244,412.787,3.611,4,0.465,0.76,1.0,0.8814337605373175,0.9014203961346036,0.9420790213145089,0.9468850661366596,0.9179545610307724
EOS-4-00698,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cccnc5)cc4F)n23)ccc1F,ZOHHVRZOCRTEDR-UHFFFAOYSA-N,4,1,0.535,97,702,441.401,3.977,5,0.407,0.76,1.0,0.8173188952093756,0.8814851620862175,0.8735950243300665,0.8550733328764307,0.8568681036255227
EOS-4-00699,N#Cc1nc(COc2cncc3nnc(-c4cccc(-c5cnccc5F)c4)n23)ccc1F,XFFSHQLSPDZPDX-UHFFFAOYSA-N,4,1,0.534,97,702,441.401,3.977,5,0.407,0.67,1.0,0.7473271194571997,0.7726509492152697,0.8814080597628675,0.8651052018367487,0.8166228325680214
EOS-4-00700,CC(C)(O)c1ncc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,UEFFASRYQJWQLU-UHFFFAOYSA-N,4,1,0.722,90,281,445.857,3.967,4,0.483,0.71,1.0,0.9567455966006443,0.8841066410801178,0.9163011445411555,0.8550818998012474,0.9030588205057913
EOS-4-00701,FCc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)c(F)c5)c4)n23)n1,HBUQNTYBEKMQCE-UHFFFAOYSA-N,4,1,0.495,59,183,465.851,4.484,5,0.365,0.67,1.0,0.7932715372489891,0.8430625042834624,0.7356504009320814,0.7593293811253512,0.782828455897471
EOS-4-00702,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccccc1,QUGMRQQUUFOTPX-UHFFFAOYSA-N,4,1,0.581,91,660,436.45,4.486,5,0.39,0.71,1.0,0.9664433554931122,0.9513655678157769,0.8884415050373518,0.8813652251387842,0.9219039133712562
EOS-4-00703,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cc1F,FMFFATKZOWWKTM-UHFFFAOYSA-N,4,1,0.482,13,724,456.815,5.055,5,0.378,0.63,1.0,0.8469347543005963,0.8292526214789939,0.9673942841477623,0.9651240490713453,0.9021764272496744
EOS-4-00704,Fc1ccc(-c2nnc3cncc(Cc4nnc(-c5ccnc(F)c5)nn4)n23)c(F)c1,BFBLUTFSGDBIRZ-UHFFFAOYSA-N,4,1,0.38,22,252,421.346,2.441,5,0.407,0.62,1.0,0.4603522719484614,0.6136231238434652,0.41057843876362143,0.5773593310945103,0.5154782914125147
EOS-4-00706,FC(F)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cncs5)cn4)n23)cc1Cl,FVUZPZULMVJJGS-UHFFFAOYSA-N,4,1,0.378,14,81,454.893,5.492,5,0.351,0.68,1.0,0.3788893838667672,0.514443835240902,0.9329638133095743,0.9289459255705572,0.6888107394969502
EOS-4-00707,Fc1cnc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1Br,WRLAXEUAEMQTTG-UHFFFAOYSA-N,4,1,0.658,90,281,449.671,3.758,4,0.432,0.75,1.0,0.9779744362963471,0.9871496127749982,0.5136385443081352,0.6490987595092865,0.7819653382221917
EOS-4-00708,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(F)cc4C(F)(F)F)n23)cc1F,VOJYLPPQOCJUAZ-UHFFFAOYSA-N,4,1,0.358,0,188,459.378,4.648,5,0.451,0.86,1.0,0.434625796724008,0.5899698444246453,0.9738880131587965,0.9714464395860462,0.742482523473374
EOS-4-00710,N#Cc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1Br,UKZINTWYLLAIIF-UHFFFAOYSA-N,4,1,0.618,90,636,439.248,3.581,4,0.472,0.68,1.0,0.9418477143444589,0.952470701117127,0.8749657323007334,0.8682321293948324,0.9093790692892879
EOS-4-00711,OCc1cc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)ccc1Cl,GDQWEEQILJHDJY-UHFFFAOYSA-N,4,1,0.542,90,281,434.258,3.746,4,0.498,0.75,1.0,0.8907031731889521,0.9352768830100747,0.9142964841340553,0.9319015146323076,0.9180445137413474
EOS-4-00712,Cn1cc(-c2cc(-c3nnc4cncc(OCCn5cccn5)n34)ccc2C(F)(F)F)cn1,RQCFBLOGYWBLRL-UHFFFAOYSA-N,4,1,0.466,92,847,454.416,3.486,5,0.39,0.7,1.0,0.5672589267356589,0.57453224590501,0.896845658282503,0.7717856898087863,0.7026056301829895
EOS-4-00713,Fc1cnc(-c2nc(COc3cncc4nnc(-c5cccc(F)c5F)n34)ccc2F)nc1,CJMDLXUCHVUBKF-UHFFFAOYSA-N,4,1,0.494,73,665,453.359,3.779,5,0.374,0.68,1.0,0.735196353916798,0.8395843328078952,0.8037917209238572,0.8227760263175931,0.8003371084915359
EOS-4-00714,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,QCIMINYQYREEPQ-UHFFFAOYSA-N,4,1,0.517,58,698,449.396,3.682,5,0.365,0.63,1.0,0.8795576040024673,0.9200877253101227,0.7304331437187307,0.7092385717222945,0.8098292611884038
EOS-4-00716,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ccc(F)nc5)c4)n23)c1,PRSYQCJURQTEEG-UHFFFAOYSA-N,4,1,0.527,11,490,464.863,4.801,5,0.336,0.65,1.0,0.9448290041806593,0.9816582139675142,0.9057124254677541,0.9205931738743061,0.9381982043725585
EOS-4-00717,COc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1cocn1,OMGFSMQPOIJDNA-UHFFFAOYSA-N,4,1,0.471,13,724,455.808,5.179,5,0.361,0.68,1.0,0.9400315262833253,0.8430710712082791,0.9363734493866082,0.9052241107532041,0.9061750394078542
EOS-4-00718,N#Cc1cc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)ccc1Cl,PADYQARIFNJIDA-UHFFFAOYSA-N,4,1,0.556,90,281,429.242,4.125,4,0.474,0.7,1.0,0.9693903776300459,0.9765180590775135,0.9124374614488383,0.9429614145706258,0.9503268281817558
EOS-4-00719,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)nc1,MCWKKNMPDHLOOK-UHFFFAOYSA-N,4,1,0.6,97,293,446.417,4.114,5,0.388,0.76,1.0,0.9707353848262628,0.930496538962374,0.8339986978274279,0.7742186964567199,0.8773623295181963
EOS-4-00720,OCc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)ccc1Cl,XNFHLRDFYJBITC-UHFFFAOYSA-N,4,1,0.542,90,281,434.258,3.746,4,0.498,0.71,1.0,0.8944383524090193,0.938129668974025,0.9143050510588719,0.9319100815571243,0.9196957884997602
EOS-4-00721,Cn1cc(-c2cc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)ccc2F)cn1,GBTATZLSPFYWOD-UHFFFAOYSA-N,4,1,0.512,13,724,456.815,5.055,5,0.378,0.69,1.0,0.635237475155918,0.7936484819409225,0.9708724556233295,0.9696559522993626,0.8423535912548832
EOS-4-00723,Fc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)ccc1-c1cccnn1,PVHBPXRWRPCSPP-UHFFFAOYSA-N,4,1,0.552,4,712,449.396,4.299,5,0.382,0.7,1.0,0.7704663833870194,0.8215338222191763,0.919976355287506,0.8883387019395518,0.8500788157083135
EOS-4-00724,Fc1cc(-c2nnc3cncc(COc4cccnc4F)n23)ccc1-c1ccccn1,JHXRGZMLGGYMRG-UHFFFAOYSA-N,4,1,0.423,14,189,416.391,4.106,5,0.402,0.83,1.0,0.692490233705709,0.7101209649784114,0.8322510451648276,0.8103796861078747,0.7613104824892056
EOS-4-00725,Fc1cc(CNCc2cncc3nnc(-c4cnc(Cl)nc4)n23)c(F)cc1Cl,MXXGDZHOBVNMIR-UHFFFAOYSA-N,4,1,0.337,90,811,422.226,3.456,4,0.392,0.74,1.0,0.4118720444109383,0.48694400657939824,0.8850918374340346,0.919488040572956,0.6758489822493318
EOS-4-00726,N#Cc1nc(Cc2cncc3nnc(-c4nccnc4-c4cc(F)ccc4F)n23)ccc1F,KCYOYMFMTQWRBB-UHFFFAOYSA-N,4,1,0.32,45,961,444.38,3.523,5,0.418,0.65,1.0,0.3696542389143993,0.41610410527037217,0.7433777671167158,0.8039544924953739,0.5832726509492153
EOS-4-00727,COc1nc(-c2ccc(F)cn2)ccc1-c1nnc2cncc(COCC(F)(F)F)n12,RXTDGHFWQHMODL-UHFFFAOYSA-N,4,1,0.442,68,585,434.353,3.475,4,0.43,0.62,1.0,0.6866818586800082,0.7512250702487835,0.8942841477623192,0.7835909122061545,0.7789454972243163
EOS-4-00728,Cc1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1ccccn1,JFWCRUQTBQDHRE-UHFFFAOYSA-N,4,1,0.389,13,724,450.836,5.281,5,0.37,0.68,0.978,0.7762918922623535,0.7897076965252553,0.8594167637584813,0.8619354396545816,0.821837948050168
EOS-4-00729,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4ccc(-c5ncccn5)cn4)n23)c1,OWABKKCOWYQSIS-UHFFFAOYSA-N,4,1,0.605,73,71,435.369,3.64,5,0.389,0.71,1.0,0.7138475772736619,0.8465235419093962,0.8193406894661093,0.7974179288602563,0.794282434377356
EOS-4-00731,Fc1ccc(OCc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c(Cl)c1,KLHXMGHYFZSZKP-UHFFFAOYSA-N,4,1,0.461,14,189,432.846,4.62,5,0.403,0.78,1.0,0.762019395517785,0.7192447399081625,0.8452042354876294,0.8518436022205469,0.794577993283531
EOS-4-00732,Fc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1nnco1,SXQDPVXDMNZZLY-UHFFFAOYSA-N,4,1,0.542,34,178,440.797,4.352,5,0.401,0.73,1.0,0.9536529367418272,0.9322870262490577,0.9163097114659722,0.9218096771982729,0.9310148379137826
EOS-4-00733,OCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cn1,WFNOJJSNIYOLFC-UHFFFAOYSA-N,4,1,0.651,90,281,417.803,3.232,4,0.485,0.76,1.0,0.8960575011993694,0.9164896168871222,0.9154444520594888,0.9052326776780207,0.9083060619560003
EOS-4-00734,COc1cc(-c2nnc3cncc(OCCCC(F)(F)F)n23)ccc1-c1cnco1,IKYMYQSSGJVJDY-UHFFFAOYSA-N,4,1,0.53,68,947,419.363,4.176,4,0.415,0.75,1.0,0.9087708176273045,0.7331745596600644,0.8736035912548832,0.7386059899938319,0.813538739634021
EOS-4-00735,CC(C)(O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)cc4F)n23)cn1,BBQFYZNCJIAQDJ-UHFFFAOYSA-N,4,1,0.4,83,558,443.457,5.026,5,0.422,0.78,1.0,0.43044513741347407,0.6184377355904325,0.9610890274826948,0.9289544924953739,0.7347315982454938
EOS-4-00736,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)nnc1Cl,OEZUDIJNKLCRNI-UHFFFAOYSA-N,4,1,0.549,90,281,455.227,4.586,4,0.424,0.73,1.0,0.9087793845521211,0.9682338427797957,0.947519018573093,0.9604979096703448,0.9462575388938386
EOS-4-00737,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(-c5cncnc5)nc4)n23)cc1,CQXWAGPWKINYAP-UHFFFAOYSA-N,4,1,0.667,27,996,447.405,3.824,5,0.371,0.81,1.0,0.9408625179905421,0.7977177712288397,0.87497429922555,0.797426495785073,0.8527452710575012
EOS-4-00738,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cn2)nc1,RAFMMRHRMJCIOT-UHFFFAOYSA-N,4,1,0.466,73,930,436.357,3.035,5,0.387,0.66,0.999,0.8907117401137687,0.8706223014186828,0.6560808032348708,0.634517853471318,0.76298317455966
EOS-4-00739,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cncnc4F)nc3F)n12,ZBIRBWOMRLZVFP-UHFFFAOYSA-N,4,1,0.489,58,143,450.384,3.077,5,0.287,0.62,1.0,0.879566170927284,0.8893838667671853,0.6941779178945926,0.6720067164690563,0.7837836680145295
EOS-4-00740,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)n2)c1,UASBWBHGAPFRJA-UHFFFAOYSA-N,4,1,0.523,58,271,449.396,3.682,5,0.365,0.61,1.0,0.897719484613803,0.9014289630594202,0.7689671715441025,0.7717942567336029,0.8349774689877321
EOS-4-00741,N#Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)c(F)c4)n23)ccc1Cl,HJIIWYWHWNCCCX-UHFFFAOYSA-N,4,1,0.536,55,540,458.844,3.886,5,0.389,0.63,1.0,0.8977280515386197,0.9482043725584264,0.8388732780481118,0.8389418134466452,0.8809368788979508
EOS-4-00742,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)nn1,IKUGORZBWNCLAF-UHFFFAOYSA-N,4,1,0.545,37,161,449.396,3.682,5,0.391,0.67,1.0,0.9553834555547941,0.9367332602289082,0.8388818449729285,0.8308375025700775,0.8904590158316771
EOS-4-00743,Fc1nccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)n1,RXCHQVOZHRIYIK-UHFFFAOYSA-N,4,1,0.588,35,234,431.406,3.543,5,0.38,0.73,1.0,0.940040093208142,0.9124374614488383,0.7147299705297786,0.6779864299910904,0.8112984887944623
EOS-4-00744,Fc1ccc(-c2ncnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)n2)nc1F,JYSBKQYAVUVOFK-UHFFFAOYSA-N,4,1,0.318,29,243,457.326,3.455,5,0.298,0.53,0.357,0.4031423480227537,0.6039596326502639,0.7642296621204853,0.7566993352066342,0.6320077445000343
EOS-4-00745,FCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)ccc1Cl,YQCXQEARRVZCGX-UHFFFAOYSA-N,4,1,0.556,90,385,452.704,5.238,4,0.374,0.7,0.999,0.9439209101500925,0.9702984716606127,0.9256305256665067,0.9554862586525941,0.9488340415324514
EOS-4-00746,Oc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1ccncc1,RALUJMZFCYDNDD-UHFFFAOYSA-N,4,1,0.773,91,660,443.894,4.834,5,0.404,0.69,1.0,0.8122729764923583,0.8706308683434995,0.8484682338427798,0.855090466726064,0.8466156363511754
EOS-4-00747,FCc1ncc(Cc2cncc3nnc(-c4ccc(Cl)c(-c5ccnc(F)c5)c4)n23)nn1,LXPBPPXEEMVESC-UHFFFAOYSA-N,4,1,0.354,85,81,450.84,3.891,5,0.375,0.63,1.0,0.42815776848742376,0.5991964224521965,0.5574754985950243,0.6894746761702419,0.5685760914262217
EOS-4-00748,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)c(F)cn1,PCSOXDYRIODWNF-UHFFFAOYSA-N,4,1,0.539,37,386,449.396,3.682,5,0.365,0.69,1.0,0.9294085395106573,0.9352854499348914,0.8436536220958125,0.832884997601261,0.8853081522856555
EOS-4-00749,Cc1nc(C(F)F)ccc1Cc1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,CGMCBPYHHIZAFR-UHFFFAOYSA-N,4,1,0.419,66,225,403.795,4.816,4,0.49,0.82,1.0,0.5433143718730724,0.7425553423343156,0.9678226303885957,0.9635049002809951,0.8042993112192447
EOS-4-00750,CC(F)(F)c1ncc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cn1,PIFYJDNWRHJIJF-UHFFFAOYSA-N,4,1,0.718,90,811,461.27,4.077,4,0.431,0.81,1.0,0.8070385854293742,0.8215423891439929,0.7734733739976698,0.6228925364950997,0.7562367212665342
EOS-4-00751,Fc1nccnc1Oc1ccc(-c2cncc3nnc(-c4cnc(OCC(F)F)nc4)n23)nc1,UKHDCWLAIYOEFJ-UHFFFAOYSA-N,4,1,0.298,50,914,467.371,3.009,5,0.353,0.74,0.999,0.5841100678500446,0.6906911794942088,0.517382290453019,0.3827445000342677,0.543732009457885
EOS-4-00752,OCc1cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1Cl,IKRXOHSHACUHCY-UHFFFAOYSA-N,4,1,0.542,90,281,417.803,3.232,4,0.518,0.71,1.0,0.8960660681241861,0.9437495716537592,0.9132684531560551,0.9152731135631553,0.9170893016242889
EOS-4-00753,Fc1cc(F)c(Oc2cncc3nnc(-c4cc(-c5cccnc5)cnn4)n23)cc1F,DFVNNXXATCVONW-UHFFFAOYSA-N,4,1,0.37,13,251,421.342,3.853,5,0.407,0.6,1.0,0.646999862929203,0.6906997464190254,0.8920053457610856,0.8952008087177027,0.7812264409567542
EOS-4-00754,Fc1ccc(CCOc2cncc3nnc(-c4ncc(Cl)cc4F)n23)cc1F,CKHBAIUMUFDSEB-UHFFFAOYSA-N,4,1,0.632,23,86,405.767,3.879,4,0.504,0.75,1.0,0.943004249194709,0.944863271879926,0.9307192790076074,0.9509200877253101,0.9423767219518882
EOS-4-00755,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5cnc(F)nn5)cc4F)n23)c1,AUFQQXYYTUBBFR-UHFFFAOYSA-N,4,1,0.478,34,712,454.347,3.174,5,0.295,0.62,1.0,0.7876430676444384,0.8254232060859434,0.8101055445137414,0.8060448221506408,0.807304160098691
EOS-4-00756,O=C(Nc1cccc(C(F)F)c1)c1cc(-c2nnc3cncc(Br)n23)ccc1Cl,JSTGJHLFRFQFPI-UHFFFAOYSA-N,4,1,0.486,48,225,478.684,5.397,4,0.426,0.89,1.0,0.35344561716126377,0.5190014392433692,0.9610975944075115,0.9568483996984443,0.6975982626276471
EOS-4-00757,Fc1cncc(-c2ncc(-c3nnc4cncc(-c5ccc(C(F)(F)F)nn5)n34)cn2)c1,YFOGKJIGYOYUNG-UHFFFAOYSA-N,4,1,0.367,50,243,439.336,3.258,5,0.394,0.7,1.0,0.2941282297306559,0.4561116441642108,0.859425330683298,0.7859382496059215,0.5989008635460216
EOS-4-00758,Cc1nc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)ccc1-c1ccccn1,NFQWWCQOZLVNBV-UHFFFAOYSA-N,4,1,0.394,13,573,434.381,4.766,5,0.38,0.68,1.0,0.7169488040572956,0.7811836063326708,0.8862655061339182,0.8619440065793983,0.8115854807758207
EOS-4-00759,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)ccc1F,KOWIDYTVAJFFJO-UHFFFAOYSA-N,4,1,0.628,90,400,412.787,3.611,4,0.497,0.73,1.0,0.9812727023507641,0.9868412034815982,0.8968542252073196,0.909687478582688,0.9436639024055925
EOS-4-00760,CC(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,DMMUZBLVVWBECW-UHFFFAOYSA-N,4,1,0.417,66,364,402.355,4.221,4,0.478,0.66,1.0,0.4777259954766637,0.532545747378521,0.9716263450071962,0.9206017407991227,0.7256249571653759
EOS-4-00761,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4ccc(-c5nc[nH]n5)c(F)c4)n23)c1,RXQFYVQGZMWSLL-UHFFFAOYSA-N,4,1,0.566,47,607,441.348,3.712,5,0.33,0.63,1.0,0.9073058734836543,0.8465321088342129,0.9413251319306422,0.9361507093413748,0.907828455897471
EOS-4-00762,Oc1ccc(COc2cncc3nnc(-c4cc(F)cc(-c5cccnn5)c4)n23)cc1F,WKLNPQPNFNLXTJ-UHFFFAOYSA-N,4,1,0.529,43,433,432.39,3.811,5,0.451,0.7,1.0,0.8351123980535947,0.7512336371736001,0.8873620725104516,0.8651137687615653,0.834705469124803
EOS-4-00763,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1cccnn1,PXSWAWRWSROOIP-UHFFFAOYSA-N,4,1,0.511,43,433,441.401,3.977,5,0.407,0.73,1.0,0.9328353094373244,0.9164981838119388,0.928149201562607,0.9185371119183058,0.924004951682544
EOS-4-00764,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4F)n23)c1,KQKYQABLBKIFHG-UHFFFAOYSA-N,4,1,0.5,11,0,464.863,4.801,5,0.359,0.67,1.0,0.9439294770749092,0.9618686176410116,0.8721986155849496,0.8979679254334864,0.9189911589335892
EOS-4-00765,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4ccc(OC(F)F)cc4)n23)ccc1F,UGNJZHIEQPTAKD-UHFFFAOYSA-N,4,1,0.675,43,713,466.423,4.511,5,0.351,0.77,1.0,0.809677198272908,0.8497190048660133,0.9545524638475773,0.9218182441230895,0.8839417277773971
EOS-4-00766,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)c(F)cc1-c1cncnc1,LCSXLWCHJIOWCQ-UHFFFAOYSA-N,4,1,0.566,35,234,431.406,3.543,5,0.406,0.69,1.0,0.8604619285861147,0.8497275717908299,0.7976235350558564,0.7791275443766705,0.8217351449523678
EOS-4-00767,Fc1ccnc(-c2nccc(COc3cncc4nnc(-c5cc(F)cc(F)c5F)n34)n2)c1,GIAWFYRNGNYNSL-UHFFFAOYSA-N,4,1,0.523,73,469,453.359,3.779,5,0.296,0.61,0.994,0.6835891988211912,0.8020697690357069,0.8562812692755808,0.861952573504215,0.8009732026591735
EOS-4-00768,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4F)n23)ccn1,RWXGOGHINXBFBK-UHFFFAOYSA-N,4,1,0.576,35,215,431.406,3.543,5,0.38,0.67,1.0,0.9133198547049551,0.9200962922349394,0.8057449797820574,0.7813892125282709,0.8551375848125558
EOS-4-00769,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4cccc(Cl)n4)nc3)n12,YWBNUNKLOHANJH-UHFFFAOYSA-N,4,1,0.449,55,109,468.279,4.668,5,0.346,0.7,1.0,0.8977366184634363,0.8706394352683161,0.8484768007675965,0.8785124391748338,0.8738413234185456
EOS-4-00771,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccn1,AWDBVIHWZIZQLZ-UHFFFAOYSA-N,4,1,0.757,48,305,401.348,3.548,4,0.441,0.8,1.0,0.9933006647933658,0.9916129806044822,0.9393290384483586,0.9073058734836543,0.9578871393324653
EOS-4-00772,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)nc3Cl)n12,ZYAMENTZZWTWQT-UHFFFAOYSA-N,4,1,0.543,35,559,465.851,4.196,5,0.347,0.61,1.0,0.877732849016517,0.920104859159756,0.7734819409224865,0.8039630594201905,0.8438206771297375
EOS-4-00773,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)ccn2)nc1,FCFMIQMJOWIKEZ-UHFFFAOYSA-N,4,1,0.477,24,199,436.357,3.035,5,0.387,0.69,1.0,0.782057432663971,0.7597577273661846,0.6148053594681653,0.6047649235830307,0.690346360770338
EOS-4-00774,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(F)c5)n34)c(F)n2)nc1,PWTVYHXJERSPHE-UHFFFAOYSA-N,4,1,0.566,73,166,467.386,3.821,5,0.277,0.6,1.0,0.9241827153724899,0.935294016859708,0.8038002878486739,0.816976218216709,0.8700633095743953
EOS-4-00775,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccc2F)c1,NWYPCVKRLLGQIK-UHFFFAOYSA-N,4,1,0.494,73,756,451.824,4.154,5,0.396,0.64,1.0,0.914767664998972,0.9063720786786376,0.7931001987526557,0.8368257830169282,0.8627664313617984
EOS-4-00776,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)ccc1F,YAVSASJFDKOKLF-UHFFFAOYSA-N,4,1,0.511,27,51,470.39,3.719,5,0.361,0.7,1.0,0.43463436364882463,0.6907083133438421,0.9562915495853609,0.9063378109793708,0.7469930093893496
EOS-4-00777,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccc5)cc4F)n23)nc1,SAVFCXHZZAHUFC-UHFFFAOYSA-N,4,1,0.59,57,80,415.403,4.711,5,0.416,0.78,1.0,0.8043999725858406,0.8732780481118497,0.9035706942635872,0.9120690836817216,0.8733294496607498
EOS-4-00778,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)ccn2)c1,XYZPCLLLCZEIGD-UHFFFAOYSA-N,4,1,0.478,73,199,436.357,3.035,5,0.387,0.66,1.0,0.7442430265231992,0.7469073401411829,0.6618035090124049,0.6519344116236035,0.7012220718250977
EOS-4-00779,Fc1cnnc(-c2cncc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c2)c1,WLKAWKYPOYWSJX-UHFFFAOYSA-N,4,1,0.455,59,332,451.824,4.154,5,0.396,0.53,1.0,0.7560910835446508,0.7977263381536563,0.8800459187170173,0.9040333082036872,0.8344741621547529
EOS-4-00780,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ccc(C(F)(F)F)nn1,QKPOSTUBUNBROX-UHFFFAOYSA-N,4,1,0.545,43,431,496.424,4.994,5,0.306,0.68,1.0,0.9439380439997258,0.939551778493592,0.9759012404907135,0.9269241313138236,0.9465787985744637
EOS-4-00781,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,PMALEMWWXXLFIJ-UHFFFAOYSA-N,4,1,0.739,90,281,404.232,4.254,4,0.498,0.74,1.0,0.9914844767322322,0.989634020971832,0.9143136179836886,0.95032896991296,0.9614402714001782
EOS-4-00783,Fc1cc(F)c(Oc2cncc3nnc(-c4cc(-c5ncccc5F)cnn4)n23)c(F)c1,ZURXBXJCEHWEAA-UHFFFAOYSA-N,4,1,0.378,13,724,439.332,3.992,5,0.391,0.5,1.0,0.6470084298540196,0.6757675964635734,0.8920139126859022,0.9040418751285039,0.7797079535329998
EOS-4-00785,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cc4)n23)cc1C#N,ZNXUQHJKPACCRX-UHFFFAOYSA-N,4,1,0.529,1,713,491.433,4.541,5,0.344,0.67,1.0,0.8923737235282023,0.7936570488657392,0.9836543074497979,0.9522222602974436,0.9054768350352956
EOS-4-00786,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)cc1F,PWAFGFOALMDVFR-UHFFFAOYSA-N,4,1,0.722,84,56,430.418,4.148,5,0.403,0.8,1.0,0.9482129394832431,0.9472534439037763,0.8231358371598931,0.8039716263450072,0.8806434617229799
EOS-4-00787,FC(F)(F)c1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)nn1,KFXATJJGJZPRFJ-UHFFFAOYSA-N,4,1,0.538,65,981,465.399,3.074,5,0.373,0.66,1.0,0.8019326982386402,0.797734905078473,0.6263707079706669,0.4552378178329107,0.6703190322801728
EOS-4-00788,Cc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)cc(-c2ccc(F)nc2)n1,SNHIWXHTTGKBCN-UHFFFAOYSA-N,4,1,0.536,59,16,448.408,4.553,5,0.367,0.68,1.0,0.8200860119251594,0.8395928997327119,0.9210643547392228,0.9027825371804538,0.870881450894387
EOS-4-00789,OCc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccncc5F)c4)n23)cn1,HPCCOJMTTMYGTI-UHFFFAOYSA-N,4,1,0.576,97,253,446.417,3.598,5,0.426,0.63,0.999,0.8777414159413337,0.7512422040984168,0.8955863203344527,0.8585515043519978,0.8457803611815502
EOS-4-00790,FC(F)(F)c1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2)n1,QFQDVHBAEKEBGF-UHFFFAOYSA-N,4,1,0.547,27,669,497.868,4.937,5,0.307,0.73,1.0,0.9515112055376602,0.9583647453909945,0.9524278664930437,0.9063463779041875,0.9421625488314714
EOS-4-00792,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)c(F)c4)n23)cc1F,QWVITUOCHAKHIF-UHFFFAOYSA-N,4,1,0.553,59,607,441.348,3.712,5,0.33,0.62,1.0,0.8693372626961826,0.8327479268041944,0.963145089438695,0.9599153587828113,0.9062864094304708
EOS-4-00793,Fc1ccnc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,KIOYBHNMMVVTKV-UHFFFAOYSA-N,4,1,0.494,75,183,433.834,4.015,5,0.386,0.74,1.0,0.812281543417175,0.7512507710232335,0.7712973750942361,0.7859468165307382,0.7801941265163457
EOS-4-00794,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)c(F)n2)c1,APBWJHQSMSHURB-UHFFFAOYSA-N,4,1,0.523,58,271,465.851,4.196,5,0.347,0.63,1.0,0.911854910561305,0.9291686656157906,0.7713059420190529,0.8103882530326914,0.85567944280721
EOS-4-00795,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(F)n2)c1,CFQZOTVZJSUGRG-UHFFFAOYSA-N,4,1,0.517,58,28,465.851,4.196,5,0.347,0.58,1.0,0.9254591871701734,0.9336577342197245,0.7505311493386334,0.795284764580906,0.8512332088273593
EOS-4-00796,Fc1c(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccnc1Cl,SIKPFWLYWRXZNZ-UHFFFAOYSA-N,4,1,0.718,23,281,404.232,4.254,4,0.466,0.76,1.0,0.9896597217462819,0.9928123500788157,0.9077427866493044,0.9420618874648756,0.9580691864848194
EOS-4-00797,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cccc5Cl)n34)c(F)n2)nc1,HUXALXFRMOMKQR-UHFFFAOYSA-N,4,1,0.529,88,166,483.841,4.336,5,0.332,0.64,1.0,0.944837571105476,0.9593756425193612,0.7911812075937221,0.8389503803714619,0.8835862003975054
EOS-4-00798,Fc1ccccc1COc1cncc2nnc(-c3cncc(-c4ncc(Cl)cn4)c3)n12,FNOTVGWCJXKRAM-UHFFFAOYSA-N,4,1,0.5,2,491,433.834,4.015,5,0.413,0.73,1.0,0.8445617161263793,0.7977434720032897,0.7173257487492289,0.759337948050168,0.7797422212322666
EOS-4-00801,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncccc5F)c4)n23)nc1F,QOBXFVFAAXELOA-UHFFFAOYSA-N,4,1,0.548,24,912,435.369,3.64,5,0.389,0.7,1.0,0.7294393804399972,0.7597662942910013,0.785047289424988,0.7695068878075526,0.7609399629908848
EOS-4-00802,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)n4)n23)ccc1Cl,FLMVCWOJIXQGIP-UHFFFAOYSA-N,4,1,0.556,90,385,429.242,4.125,4,0.444,0.72,0.999,0.9693989445548626,0.9816667808923308,0.9247652662600233,0.9445377287368926,0.9550921801110274
EOS-4-00803,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)c1,TVUIPOQZJMNLCZ-UHFFFAOYSA-N,4,1,0.529,73,71,451.824,4.154,5,0.371,0.7,1.0,0.7704749503118361,0.8762165033239668,0.8562898362003976,0.8701082859296827,0.8432723939414708
EOS-4-00804,N#Cc1cc(-c2nnc3cncc(OCc4ncc(C(F)F)cn4)n23)ccc1Cl,KQUMKQMHAXRJAI-UHFFFAOYSA-N,4,1,0.525,68,900,413.775,3.623,4,0.492,0.74,1.0,0.8557501199369474,0.9573881159618943,0.9264529504489069,0.9174062778425056,0.9142493660475636
EOS-4-00805,N#Cc1cc(-c2nnc3cncc(-c4ncc(-c5cnccc5F)cn4)n23)ccc1Cl,TXNWDIDYQVVBIO-UHFFFAOYSA-N,4,1,0.35,82,261,428.818,3.974,5,0.428,0.76,1.0,0.36966280583921596,0.6226869302994997,0.8680950585977657,0.9052412446028374,0.6914215098348296
EOS-4-00806,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4Cl)n23)c(F)cn1,GZCMQMLBEBTWNB-UHFFFAOYSA-N,4,1,0.54,35,143,465.851,4.196,5,0.347,0.65,1.0,0.8557586868617642,0.9219210472208896,0.7953018984305393,0.810396819957508,0.8458446131176753
EOS-4-00807,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c(Cl)c1F,OHTADGRZECAUQG-UHFFFAOYSA-N,4,1,0.53,47,607,457.803,4.226,5,0.313,0.63,1.0,0.9491467342882599,0.8841152080049346,0.9452659173463094,0.9413336988554588,0.9299653896237408
EOS-4-00808,Fc1cc(-c2nnc3cncc(CNc4ccc(-n5ccnc5)c(F)c4)n23)ccc1Cl,NQMUVPCONJCYHI-UHFFFAOYSA-N,4,1,0.368,45,291,437.841,4.521,5,0.437,0.8,1.0,0.332473785210061,0.42949420875882394,0.9210729216640394,0.9238400383798232,0.6517202385031868
EOS-4-00809,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)ccc1F,WZFZVUVKUPESBA-UHFFFAOYSA-N,4,1,0.628,90,400,412.787,3.611,4,0.497,0.73,1.0,0.9785741210335138,0.9810156946062641,0.8968627921321363,0.9096960455075046,0.9415371633198547
EOS-4-00810,OCc1cc(-c2nnc3cncc(OCCc4ccc(Br)nc4)n23)ccc1Cl,AGNCXLXXWGMSGZ-UHFFFAOYSA-N,4,1,0.628,90,636,460.719,3.716,4,0.442,0.73,1.0,0.8944469193338359,0.9353025837845247,0.8193492563909259,0.8149287231855253,0.866006870673703
EOS-4-00811,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4Cl)n23)c1,LFXWUAOVAHGPGB-UHFFFAOYSA-N,4,1,0.494,35,143,465.851,4.196,5,0.347,0.68,1.0,0.9160527037214722,0.9423188952093756,0.7481409773147831,0.7791361113014872,0.8464121718867796
EOS-4-00812,CC(C)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nn1,ZVYPVTIYOZWJHC-UHFFFAOYSA-N,4,1,0.392,66,455,417.37,3.791,4,0.47,0.67,1.0,0.33006647933657735,0.41152080049345485,0.9057209923925708,0.7593465149749846,0.6016636967993969
EOS-4-00813,Fc1cc(F)c(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)cc1F,JILKFJUIBMRFHW-UHFFFAOYSA-N,4,1,0.512,59,445,474.855,4.96,5,0.265,0.66,0.996,0.8469433212254129,0.867675279281749,0.9378555273798918,0.9429699814954424,0.898861027345624
EOS-4-00814,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)nn3)n12,NXJSUOCSFANAOB-UHFFFAOYSA-N,4,1,0.376,54,251,473.23,4.416,5,0.378,0.69,0.817,0.8122901103419916,0.8098485367692413,0.7734905078473031,0.8534113494619971,0.8122601261051333
EOS-4-00815,Cc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1Cl,YXRLBOXHYOYWQY-UHFFFAOYSA-N,4,1,0.611,23,17,403.244,5.125,4,0.475,0.85,1.0,0.9773233500102803,0.9806730176135974,0.9744534301966966,0.984502433006648,0.9792380577068055
EOS-4-00816,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnc6ccccc6n5)cc4F)n23)ccn1,ANUXTZGAARPZSN-UHFFFAOYSA-N,4,1,0.543,11,891,481.466,4.696,6,0.319,0.74,1.0,0.907314440408471,0.9291772325406072,0.7734990747721198,0.7765403330820368,0.8466327702008087
EOS-4-00818,O=C(c1ccc(Cc2cncc3nnc(-c4cccc(C(F)(F)F)c4)n23)cc1F)N1CCCC1,GUOUOQUPKJPFQE-UHFFFAOYSA-N,4,1,0.44,0,345,469.442,4.776,5,0.404,0.86,1.0,0.317464532931259,0.41152936741827156,0.6116955657597148,0.7718028236584196,0.5281230724419161
EOS-4-00819,CC(F)(F)c1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cn1,ZNIVLOATNZRUIL-UHFFFAOYSA-N,4,1,0.718,90,811,416.819,3.968,4,0.473,0.8,1.0,0.8539167980261805,0.8841237749297512,0.817593036803509,0.7225258721129464,0.8195398704680968
EOS-4-00820,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2Cl)nc1,OFBOJTCLLWSJJX-UHFFFAOYSA-N,4,1,0.617,35,509,447.861,4.057,5,0.387,0.7,1.0,0.9678997327119457,0.9602580357754781,0.6531423480227537,0.686870331025975,0.8170426118840382
EOS-4-00821,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccccc3Cl)n12,YBBRAVUUVOLXGP-UHFFFAOYSA-N,4,1,0.684,11,56,446.873,4.662,5,0.353,0.81,1.0,0.9007521759989034,0.9423274621341923,0.7304417106435473,0.7765489000068535,0.8375175621958741
EOS-4-00822,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)cnc1Cl,KOLIRWJKKVFAOL-UHFFFAOYSA-N,4,1,0.5,75,183,433.834,4.015,5,0.386,0.7,1.0,0.8280361181550271,0.733183126584881,0.8038088547734905,0.7952933315057227,0.7900803577547804
EOS-4-00823,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(C(F)F)nc5)nc4)n23)ccn1,PYACRWYBWUWUSB-UHFFFAOYSA-N,4,1,0.565,35,76,463.423,4.342,5,0.332,0.69,1.0,0.9408710849153588,0.9583733123158111,0.8749828661503667,0.8060533890754574,0.8950701631142486
EOS-4-00824,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)ccnc5F)n34)ncn2)nc1,DUPHOFDTQPFUJM-UHFFFAOYSA-N,4,1,0.379,46,726,436.357,3.035,5,0.387,0.59,0.926,0.7352049208416147,0.6039681995750805,0.6941864848194093,0.6953344527448427,0.6821735144952369
EOS-4-00825,Fc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,UXGPQHHGZDRYDP-UHFFFAOYSA-N,4,1,0.5,65,698,450.384,3.077,5,0.364,0.55,1.0,0.8351209649784114,0.9104328010417381,0.6589849907477212,0.6256767870605168,0.7575538859570968
EOS-4-00826,Fc1ccc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nc5)n34)cc2F)nn1,LMBMRWWVSIEIQL-UHFFFAOYSA-N,4,1,0.35,14,81,436.813,3.561,5,0.397,0.63,1.0,0.472637242135563,0.5325543143033377,0.7332088273593311,0.7791446782263038,0.629386265506134
EOS-4-00827,Clc1cncc(-c2cc(-c3nnc4cncc(OCc5ccccc5Cl)n34)ccn2)c1,LPFOPGVSKNRERU-UHFFFAOYSA-N,4,1,0.523,97,183,449.301,5.134,5,0.37,0.76,1.0,0.820094578849976,0.789716263450072,0.880054485641834,0.9174148447673223,0.851820043177301
EOS-4-00828,N#Cc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1cccnn1,GWLFRSMDHZHYRZ-UHFFFAOYSA-N,4,1,0.494,43,433,457.856,4.491,5,0.383,0.72,1.0,0.9305907751353574,0.9535415667192104,0.9199849222123226,0.9269326982386402,0.9327624905763827
EOS-4-00830,COc1cncc2nnc(-c3ccc(-c4cncc(-c5cccc(F)c5)c4)cc3F)n12,KCLNPQFXQLYIOC-UHFFFAOYSA-N,4,1,0.494,57,137,415.403,4.807,5,0.422,0.84,1.0,0.822750325543143,0.8396014666575287,0.939911589335892,0.939603180042492,0.885466640394764
EOS-4-00831,Fc1cc(F)c(-c2cncnc2-c2nnc3cncc(Br)n23)cc1F,JAOOHVZHVAIQCI-UHFFFAOYSA-N,4,1,0.47,90,861,407.153,3.428,4,0.477,0.74,0.987,0.3743403467891166,0.4385580152148585,0.9096789116578713,0.9396117469673086,0.6655472551572887
EOS-4-00833,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)nc1,AHEYITNLPZAOTI-UHFFFAOYSA-N,4,1,0.615,59,293,430.418,4.414,5,0.411,0.81,1.0,0.957627989856761,0.9083767390857378,0.8305719279007607,0.8104053868823248,0.8767455109313961
EOS-4-00834,Fc1cc(-c2nnc3cncc(COc4ccc(Cl)cn4)n23)ccc1-c1ccccn1,SEAINSUCBJBQKD-UHFFFAOYSA-N,4,1,0.394,14,189,432.846,4.62,5,0.403,0.75,1.0,0.6835977657460078,0.7726595161400863,0.8231444040847098,0.8389589472962785,0.7795901583167706
EOS-4-00835,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(F)c4)n23)nc1,SMOYQCTUXZRWHU-UHFFFAOYSA-N,4,1,0.595,73,82,451.824,4.154,5,0.396,0.73,1.0,0.8777499828661504,0.9038619697073539,0.8000479747789734,0.8208998697827428,0.850639949283805
EOS-4-00836,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccc(F)n5)nc4Cl)n23)ccn1,PPGXZNILYCKTIU-UHFFFAOYSA-N,4,1,0.536,58,28,465.851,4.196,5,0.347,0.57,1.0,0.9391834007264752,0.947262010828593,0.7356589678568981,0.7619080254951682,0.8460031012267836
EOS-4-00837,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1-c1cnco1,GJJRNDJZZASXRW-UHFFFAOYSA-N,4,1,0.573,35,265,454.824,4.394,5,0.375,0.71,1.0,0.9698529915701459,0.912446028373655,0.8942927146871359,0.9004866013295867,0.9192695839901308
EOS-4-00838,OCc1cc(-c2nnc3cncc(OCc4nc(CF)cnc4Cl)n23)ccc1Cl,AOQXCJBNWWQFLX-UHFFFAOYSA-N,4,1,0.477,90,555,435.246,3.429,4,0.496,0.67,0.878,0.7202042354876294,0.8893924336920019,0.672349393461723,0.7465046946747995,0.7571126893290385
EOS-4-00839,OCc1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)c(F)c1,WBXBXXSLJCMEMI-UHFFFAOYSA-N,4,1,0.33,96,914,433.378,3.206,5,0.45,0.76,1.0,0.6624545952984716,0.7640069220752519,0.7407477211979988,0.6690853951065725,0.7090736584195738
EOS-4-00840,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(F)c2)c(F)c1,JUFDNBZNRIFXGL-UHFFFAOYSA-N,4,1,0.529,37,795,449.396,3.682,5,0.391,0.66,1.0,0.892382290453019,0.9165067507367556,0.6887207867863752,0.7147299705297786,0.803084949626482
EOS-4-00841,Cc1nc(-c2ccccc2F)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3F)n12,FAKCCSVTTDTTBX-UHFFFAOYSA-N,4,1,0.466,59,89,464.863,5.067,5,0.361,0.73,1.0,0.9056781577684874,0.8648567610170653,0.8920224796107189,0.9027911041052704,0.8913371256253855
EOS-4-00842,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)nc3)n12,HYVHCTCLFPVGBS-UHFFFAOYSA-N,4,1,0.465,13,251,454.252,4.882,5,0.382,0.72,0.997,0.7379977383318485,0.8706480021931328,0.8388904118977452,0.8883472688643684,0.8339708553217737
EOS-4-00843,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ncc1-c1cccc(F)n1,MONFCUUGMXYTAW-UHFFFAOYSA-N,4,1,0.402,59,109,464.407,4.253,5,0.347,0.65,1.0,0.8604704955109314,0.7854413679665547,0.8884500719621684,0.8518521691453635,0.8465535261462545
EOS-4-00844,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccncc5)cc4Cl)n23)cn1,HFQZOQXGEPVQQS-UHFFFAOYSA-N,4,1,0.482,55,879,433.834,4.015,5,0.386,0.77,1.0,0.7733705708998698,0.8327564937290111,0.8019583990130903,0.8104139538071414,0.804624854362278
EOS-4-00845,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)nc1,AKHXYFFHYAVCOQ-UHFFFAOYSA-N,4,1,0.612,35,509,431.406,3.543,5,0.406,0.72,1.0,0.9694075114796793,0.9367418271537249,0.6503837982317867,0.6462716743197862,0.8007012027962442
EOS-4-00846,Fc1cc(-c2nnc(C3CC3)o2)ccc1-c1nnc2cncc(Oc3c(F)cc(Cl)cc3F)n12,VCMSORFSLUKHEC-UHFFFAOYSA-N,4,1,0.418,13,724,484.825,5.582,6,0.321,0.64,1.0,0.6807192790076074,0.8061818929477075,0.6887293537111918,0.8349581934068947,0.7526471797683504
EOS-4-00847,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1cocn1,QJXONUOWIZLOOY-UHFFFAOYSA-N,4,1,0.691,1,996,454.368,4.161,5,0.361,0.71,1.0,0.885237475155918,0.9423360290590089,0.8749914330751833,0.82473785210061,0.88182569734768
EOS-4-00848,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4cnc(-c5cncnc5)cn4)n23)c1,FUNPZXGWIPQXCW-UHFFFAOYSA-N,4,1,0.506,73,435,436.357,3.035,5,0.387,0.65,1.0,0.6866904256048249,0.8020783359605236,0.7828627235967377,0.7593550818998013,0.7577466417654719
EOS-4-00850,Cc1cnnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)cc2)n1,OOBREJUDTDOSSM-UHFFFAOYSA-N,4,1,0.461,85,476,448.412,3.956,5,0.411,0.75,1.0,0.4440408470975259,0.48695257350421495,0.8668100198752656,0.7386145569186485,0.6341044993489138
EOS-4-00851,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ccncc5-c5cccnc5)n34)c(F)n2)ccn1,PHQJGVAFIWQLSY-UHFFFAOYSA-N,4,1,0.309,42,174,464.439,4.651,6,0.351,0.6,1.0,0.3221506408059763,0.37826399835515045,0.8176016037283257,0.8227845932424097,0.5852002090329655
EOS-4-00852,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)cn1,ZGEHXEFWXJQHCB-UHFFFAOYSA-N,4,1,0.512,73,756,452.812,3.549,5,0.399,0.7,1.0,0.9439466109245426,0.9722345966691797,0.7173343156740456,0.7437290110341992,0.8443111335754918
EOS-4-00853,Fc1cc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)ncc1-c1ccncc1,TYGVWZRRZLBKRP-UHFFFAOYSA-N,4,1,0.327,14,81,466.402,4.471,5,0.292,0.62,1.0,0.19623397985059282,0.2746213419231033,0.8814166266876842,0.8308460694948941,0.5457795044890686
EOS-4-00854,N#Cc1cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1Cl,PGJOPEYUKCUZFH-UHFFFAOYSA-N,4,1,0.56,90,281,412.787,3.611,4,0.497,0.71,1.0,0.9635134672058118,0.9821122609827976,0.9378640943047084,0.945300185045576,0.9571975018847234
EOS-4-00855,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc(Cl)n2)ncn1,COPWLXWSEWJTJP-UHFFFAOYSA-N,4,1,0.516,58,271,466.839,3.591,5,0.276,0.64,1.0,0.8795747378521006,0.8732866150366665,0.7096240833390446,0.72521588650538,0.796925330683298
EOS-4-00856,OC(O)c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1F,WOKRGWHJCRCMNW-UHFFFAOYSA-N,4,1,0.593,90,281,415.812,2.584,4,0.466,0.6,1.0,0.9215098348296895,0.9219296141457063,0.9329723802343911,0.917423411692139,0.9234588102254815
EOS-4-00857,Fc1cc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cn4)n23)ccc1Cl,AWUAPNDVOPATMG-UHFFFAOYSA-N,4,1,0.367,96,140,419.807,4.228,5,0.43,0.78,1.0,0.6211020492084162,0.809857103694058,0.755080186416284,0.7619165924199849,0.7369889829346857
EOS-4-00858,Fc1ccc(COc2ccc(-c3nnc4cncc(COc5ccnc(Cl)n5)n34)cc2)cc1,OWMDIDFAXYTKGW-UHFFFAOYSA-N,4,1,0.516,1,189,462.872,4.532,5,0.328,0.78,1.0,0.8628178329106984,0.8993043657048866,0.8372798300322116,0.7995853608388733,0.8497468473716675
EOS-4-00859,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc(F)c1-c1cnccn1,PZKKWKRCOZAQIM-UHFFFAOYSA-N,4,1,0.545,35,904,456.416,3.415,5,0.382,0.65,1.0,0.9381468028236584,0.9322955931738743,0.8249263244465767,0.79959392776369,0.8737406620519499
EOS-4-00860,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)nc1,FLYXWQDBQYZCIM-UHFFFAOYSA-N,4,1,0.617,35,509,431.406,3.543,5,0.406,0.75,1.0,0.9640960180933452,0.932304160098691,0.6560893701596875,0.6404890000685354,0.7982446371050648
EOS-4-00862,Clc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cn1,DQEVMQJWDOESTE-UHFFFAOYSA-N,4,1,0.743,90,811,421.675,4.163,4,0.45,0.73,1.0,0.8757795901583167,0.92557055719279,0.8436621890206292,0.905249811527654,0.8875655369748474
EOS-4-00863,FC(F)c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1Cl,KSAMXNRQHPXDFA-UHFFFAOYSA-N,4,1,0.538,90,255,423.21,4.405,4,0.474,0.75,1.0,0.8122986772668083,0.9504574737852101,0.9464909875950929,0.9535072990199438,0.9156886094167638
EOS-4-00864,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)c(Cl)c3)n12,PAVVHIWGFXKYHJ-UHFFFAOYSA-N,4,1,0.545,35,265,482.306,4.711,5,0.346,0.62,1.0,0.962913782468645,0.9460455075046261,0.8736121581796998,0.9004951682544033,0.9207666541018436
EOS-4-00865,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cn2)cn1,IJUCGNKDDJHVSW-UHFFFAOYSA-N,4,1,0.65,27,408,466.383,3.358,5,0.356,0.73,1.0,0.862826399835515,0.9219381810705229,0.7735076416969364,0.7034730313206772,0.8154363134809128
EOS-4-00866,N#Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c(F)c2)nc1,HILCFWOQRBBOGX-UHFFFAOYSA-N,4,1,0.553,35,325,456.416,3.415,5,0.382,0.71,1.0,0.9635220341306284,0.9610718936330614,0.7735162086217532,0.7619251593448015,0.8650088239325612
EOS-4-00867,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1-c1ncccn1,FEGBUDOVDVPKRE-UHFFFAOYSA-N,4,1,0.578,35,509,431.406,3.543,5,0.38,0.71,1.0,0.9673600164484957,0.9448718388047427,0.6560979370845041,0.6432304160098691,0.8028900520869029
EOS-4-00868,FC(F)Oc1cccc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,OJFMMBIOQLVAAL-UHFFFAOYSA-N,4,1,0.435,66,225,418.354,4.337,4,0.45,0.85,1.0,0.39460969090535264,0.43418031663354123,0.9640360496196285,0.9227520389281064,0.6788945240216572
EOS-4-00869,Cn1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(C(F)(F)F)n5)n34)ccc2F)cn1,WUOPCEARCXAKHF-UHFFFAOYSA-N,4,1,0.5,27,394,487.392,4.463,5,0.341,0.67,1.0,0.6294291001302172,0.7640154890000685,0.9755157288739634,0.9353539853334247,0.8260785758344185
EOS-4-00870,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1Cl,NFCUMTMZVGXZJD-UHFFFAOYSA-N,4,1,0.556,90,385,429.242,4.125,4,0.444,0.7,0.999,0.9698615584949627,0.9821208279076142,0.9238914399287231,0.9453087519703927,0.9552956445754233
EOS-4-00871,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(Cl)c4)n23)c1,FNDDZONDKCUCMV-UHFFFAOYSA-N,4,1,0.552,35,325,482.306,4.711,5,0.324,0.67,1.0,0.9750702487834967,0.9703070385854293,0.7758207113974368,0.8328935645260778,0.8885228908231102
EOS-4-00872,Fc1cnc(-c2cc(-c3ccc(-c4nnc5cncc(Br)n45)c(F)c3)ncn2)cn1,GEDMEOILDADJCI-UHFFFAOYSA-N,4,1,0.522,50,575,467.237,3.746,5,0.399,0.69,1.0,0.34678054965389626,0.4781886094167638,0.69958364745391,0.727743129326297,0.5630739839627168
EOS-4-00873,Fc1nc(-c2ccc(Cl)nc2)cc(-c2nnc3cncc(OCc4cccnc4F)n23)n1,BZUDNLQUKLISJG-UHFFFAOYSA-N,4,1,0.398,46,959,452.812,3.549,5,0.294,0.67,0.997,0.7961071893633062,0.7283342471386471,0.67533925022274,0.6925502021794256,0.7230827222260297
EOS-4-00874,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)ccn1,OAQSQPJQBOJYOA-UHFFFAOYSA-N,4,1,0.598,35,325,431.406,3.543,5,0.38,0.71,1.0,0.9635306010554452,0.9535501336440272,0.6969878692344595,0.677994996915907,0.8230159002124597
EOS-4-00875,Cc1cc(-c2cncc3nnc(-c4ccc(Cl)c(-c5ncc(F)cn5)c4)n23)ncc1F,LWVMRBXSDGIUNM-UHFFFAOYSA-N,4,1,0.351,73,575,435.825,4.55,5,0.413,0.72,1.0,0.4323983962716743,0.6136316907682818,0.8322596120896443,0.8701168528544994,0.687101637996025
EOS-4-00876,N#Cc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1F,AIIMWHSSGGUSJK-UHFFFAOYSA-N,4,1,0.71,23,17,397.772,4.174,4,0.516,0.79,1.0,0.9976869302994997,0.9964447262010828,0.9859416763758482,0.9877150298128984,0.9919470906723323
EOS-4-00877,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)c(F)c3)n12,XMUQNYJPAYLUQQ-UHFFFAOYSA-N,4,1,0.578,35,325,431.406,3.543,5,0.406,0.72,1.0,0.9545267630731272,0.927480981426907,0.704612432321294,0.6925587691042423,0.8197947364813927
EOS-4-00878,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1-c1cscn1,COEDBMKYASFXLZ-UHFFFAOYSA-N,4,1,0.517,59,383,469.448,4.92,5,0.329,0.74,1.0,0.9448461380302926,0.9038705366321705,0.9459598382564595,0.907314440408471,0.9254977383318485
EOS-4-00879,FCc1cnc(Cc2cncc3nnc(-c4ncc(-c5ccnc(Cl)c5)cc4F)n23)cn1,VMLRXNWSICGQIK-UHFFFAOYSA-N,4,1,0.297,85,674,450.84,3.891,5,0.375,0.61,1.0,0.3924422589267357,0.47819717634158043,0.5544342402851072,0.6462802412446028,0.5178384791995065
EOS-4-00880,Fc1ccc(Cl)c(-c2ccc(-c3nnc4cncc(Br)n34)cn2)c1,NMQAYQGIYBDIDU-UHFFFAOYSA-N,4,1,0.61,22,861,404.63,4.408,4,0.497,0.9,1.0,0.37889795079158384,0.5697776026317593,0.9143221849085053,0.9554948255774107,0.7046231409773147
EOS-4-00881,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1ncccn1,CSMUVCJLCQZNCX-UHFFFAOYSA-N,4,1,0.556,35,632,456.416,3.415,5,0.357,0.62,1.0,0.9707439517510794,0.9482129394832431,0.7735247755465698,0.722534439037763,0.8537540264546638
EOS-4-00882,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)c1F,FQQXCZUQBAJVOA-UHFFFAOYSA-N,4,1,0.595,84,143,453.449,4.954,5,0.34,0.69,1.0,0.8944554862586526,0.9038791035569872,0.8968713590569529,0.8937786991981358,0.8972461620176821
EOS-4-00883,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)nc1,WXXQOTQGCBKCME-UHFFFAOYSA-N,4,1,0.447,13,724,451.824,4.676,5,0.392,0.73,1.0,0.837733877047495,0.8676838462065657,0.7870005482831882,0.7835994791309712,0.819004437667055
EOS-4-00884,N#Cc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)c(F)c1,FWMBRLCMKXKXIJ-UHFFFAOYSA-N,4,1,0.57,35,201,437.438,3.881,5,0.397,0.74,1.0,0.9536615036666438,0.9583818792406278,0.7758292783222535,0.7437375779590158,0.8579025597971353
EOS-4-00885,Cc1cnc(C)c(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)c1,ASKAQZRGJHUXDF-UHFFFAOYSA-N,4,1,0.422,13,724,464.863,5.589,5,0.345,0.69,1.0,0.8070471523541909,0.8327650606538277,0.8990387910355698,0.8756939209101501,0.8536362312384346
EOS-4-00886,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)c1,FMMUWCVSRZNMNF-UHFFFAOYSA-N,4,1,0.466,73,930,452.812,3.549,5,0.373,0.65,0.999,0.9024741278870536,0.9104413679665547,0.6561065040093208,0.6749708724556234,0.7859982180796381
EOS-4-00888,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ncccn1,GFEPCLAFGHPUSD-UHFFFAOYSA-N,4,1,0.583,35,325,431.406,3.543,5,0.38,0.74,1.0,0.9669145363580289,0.9423445959838257,0.6618120759372216,0.640497566993352,0.8028921938181071
EOS-4-00889,Fc1ccc(Oc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)c(F)c1,GDHRQZKAWXDCPJ-UHFFFAOYSA-N,4,1,0.465,13,145,442.838,5.034,5,0.363,0.67,1.0,0.6836063326708245,0.8020869028853402,0.8681036255225825,0.8937872661229525,0.8118960318004249
EOS-4-00890,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(C(F)(F)F)cn4)n23)cc1F,NZGCWMICWJFYRK-UHFFFAOYSA-N,4,1,0.392,66,225,431.353,3.055,4,0.47,0.77,1.0,0.3467891165787129,0.3209084367075595,0.9406055102460421,0.85008738263313,0.614597611541361
EOS-4-00891,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,WEKMLSJPGMAWPM-UHFFFAOYSA-N,4,1,0.494,75,183,417.379,3.501,5,0.404,0.71,1.0,0.8019412651634569,0.6369765608937016,0.7735333424713865,0.7437461448838325,0.7390493283530943
EOS-4-00892,N#Cc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1Cl,IBNVHVCDASGTRX-UHFFFAOYSA-N,4,1,0.553,90,281,412.787,3.611,4,0.497,0.7,1.0,0.9652525529435954,0.9813583715989308,0.9210814885888562,0.9353625522582414,0.9507637413474059
EOS-4-00893,Cc1cc(-c2nnc3cncc(OCc4ncc(Br)cc4F)n23)ccc1Cl,PEHJZMZSUMUIGZ-UHFFFAOYSA-N,4,1,0.531,90,708,448.683,4.629,4,0.455,0.76,1.0,0.8716417654718662,0.9291857994654239,0.8851004043588514,0.9005037351792201,0.8966079261188404
EOS-4-00894,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2F)nc1,IBKABHJJXFFZPY-UHFFFAOYSA-N,4,1,0.633,35,325,431.406,3.543,5,0.406,0.73,1.0,0.9536700705914605,0.9255791241176068,0.6807192790076074,0.6604499348913714,0.8051046021520115
EOS-4-00896,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cc(F)c(F)c(C(F)(F)F)c4)n23)cc1F,ZRFALESGELZFAY-UHFFFAOYSA-N,4,1,0.343,0,188,477.368,4.787,5,0.43,0.82,1.0,0.4487697895963265,0.565142896305942,0.987183880474265,0.9846994722774313,0.7464490096634913
EOS-4-00897,Oc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1ncccn1,QGZJEKHJUUOBRO-UHFFFAOYSA-N,4,1,0.511,35,265,463.86,3.763,5,0.405,0.55,0.998,0.9338547734905078,0.864865327941882,0.6723579603865396,0.657391542731821,0.7821174011376876
EOS-4-00898,Fc1cc(CCOc2cncc3nnc(-c4ccc(Oc5ccccc5)cc4)n23)ccn1,QDSHESCXSXWHBS-UHFFFAOYSA-N,4,1,0.633,79,590,427.439,4.739,5,0.349,0.81,1.0,0.977331916935097,0.9482215064080598,0.8079038448358578,0.7695154547323693,0.875743180727846
EOS-4-00899,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4ncccn4)c3)n12,NAUIIYMSYVXZLF-UHFFFAOYSA-N,4,1,0.573,35,161,431.406,3.543,5,0.406,0.71,1.0,0.9561202110890274,0.9305051058871907,0.7046209992461107,0.692567336029059,0.8209534130628469
EOS-4-00900,N#Cc1nc(CCOc2cncc3nnc(-c4cccc(Cl)c4F)n23)ccc1F,DGMUFAXXIJEDIE-UHFFFAOYSA-N,4,1,0.518,90,400,412.787,3.611,4,0.497,0.63,1.0,0.9418562812692756,0.9492923720101433,0.8787780138441506,0.8966743197861695,0.9166502467274348
EOS-4-00902,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)c(F)c3)n12,MXWPDEAFQZKBTE-UHFFFAOYSA-N,4,1,0.578,35,325,431.406,3.543,5,0.406,0.75,1.0,0.9473219793023097,0.9274895483517237,0.7096326502638612,0.6894832430950586,0.8184818552532382
EOS-4-00904,O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cncc3nnc(-c4ccccc4F)n23)s1,DEJXLXVPABKLCY-UHFFFAOYSA-N,4,1,0.416,96,616,483.45,5.93,5,0.322,0.83,1.0,0.23199232403536427,0.4161126721951888,0.9752244534301967,0.9528133781097937,0.6440357069426359
EOS-4-00905,Fc1ccc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(-n2cccc2)c1F,ITZXFSZMQVEODV-UHFFFAOYSA-N,4,1,0.364,14,291,453.403,4.805,5,0.374,0.64,1.0,0.22662086217531355,0.3254660407100267,0.9358680008224248,0.9073230073332876,0.5988194777602631
EOS-4-00906,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3Cl)n12,XJZXSMBZFZBNOZ-UHFFFAOYSA-N,4,1,0.517,58,698,465.851,4.196,5,0.347,0.68,1.0,0.8944640531834692,0.9336663011445412,0.7304502775683641,0.7540692892879172,0.8281624802960729
EOS-4-00907,Fc1ccc(-c2cc(-c3nnc4cncc(Cc5ncc(Cl)nn5)n34)ccc2Cl)nc1,KLQQHMBPIDUDNM-UHFFFAOYSA-N,4,1,0.354,22,81,453.268,4.075,5,0.405,0.59,1.0,0.4513570008909602,0.585052429579878,0.5964293057364128,0.7765574669316702,0.6023490507847303
EOS-4-00908,N#Cc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1-c1ccnnc1,ZLNZUKRYUTVNCC-UHFFFAOYSA-N,4,1,0.58,91,202,455.428,4.02,5,0.381,0.58,1.0,0.954535329997944,0.9674713864711123,0.929879720375574,0.9185456788431224,0.9426080289219382
EOS-4-00909,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,ARPSNGWILLDQCG-UHFFFAOYSA-N,4,1,0.578,75,496,447.861,4.057,5,0.387,0.61,1.0,0.8401411829209787,0.8176016037283257,0.7570505791241177,0.7695240216571859,0.796079346857652
EOS-4-00910,Cc1cc(-c2cncc3nnc(-c4cnc(-c5ccc(OC(F)F)nc5)nc4)n23)cnc1F,IGIFVRYMGSSNAJ-UHFFFAOYSA-N,4,1,0.326,82,489,450.384,3.754,5,0.373,0.78,1.0,0.6098022753752314,0.7283428140634638,0.797632101980673,0.7199643615927627,0.7139353882530326
EOS-4-00911,N#Cc1ccc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cc4Cl)n23)cc1F,QURTZKARAFUGPZ-UHFFFAOYSA-N,4,1,0.506,55,540,458.844,3.886,5,0.389,0.57,1.0,0.8960746350490028,0.8970426975532863,0.8652337057089987,0.8619611404290316,0.8800780446850798
EOS-4-00912,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,SOQKHWCUHOPSJP-UHFFFAOYSA-N,4,1,0.571,35,325,431.406,3.543,5,0.38,0.73,1.0,0.9521965595229936,0.9423531629086424,0.6561150709341375,0.6345264203961346,0.796297803440477
EOS-4-00915,Fc1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)nc1-c1cscn1,YJDIFOVCXOXRGW-UHFFFAOYSA-N,4,1,0.379,13,724,460.828,5.173,5,0.368,0.66,1.0,0.7015026386128436,0.7425639092591323,0.8814251936125008,0.9085480775820711,0.808509954766637
EOS-4-00916,Fc1cnc(-c2ncc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cc2Cl)cn1,SPEUNZWXHQAEGY-UHFFFAOYSA-N,4,1,0.471,55,283,469.267,4.063,5,0.355,0.63,1.0,0.842377150298129,0.9274981152765404,0.6995922143787267,0.7645123706394352,0.8084949626482079
EOS-4-00917,Cc1nc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ccc1F,HTECPHBVRFTYOF-UHFFFAOYSA-N,4,1,0.76,48,305,415.375,3.857,4,0.456,0.78,1.0,0.9881091083544651,0.9855475978342814,0.8896323075868686,0.8329021314508944,0.9240477863066274
EOS-4-00918,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4Cl)n23)ccn1,YGRYZGRIDNIRCN-UHFFFAOYSA-N,4,1,0.583,35,626,447.861,4.057,5,0.362,0.74,1.0,0.9279778630662737,0.9460540744294428,0.7593465149749846,0.7718113905832362,0.8512974607634844
EOS-4-00919,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncc(Cl)cn1,UYRNREMLFYGECK-UHFFFAOYSA-N,4,1,0.617,35,509,447.861,4.057,5,0.387,0.77,1.0,0.9707525186758961,0.9602666027002947,0.6531509149475704,0.6808820505791241,0.8162630217257213
EOS-4-00921,Fc1ncc(F)c(COc2cncc3nnc(-c4cncc(-c5cncnc5F)c4)n23)n1,NRMWREOCZJEANU-UHFFFAOYSA-N,4,1,0.406,2,435,437.345,2.43,5,0.302,0.68,1.0,0.7107463504900281,0.7006031115070934,0.5899184428757454,0.5583236241518744,0.6398978822561853
EOS-4-00922,Fc1cnccc1-c1cc(-c2nnc3cncc(OCc4cccnc4F)n23)ccn1,ZELMYYYQHMFAQE-UHFFFAOYSA-N,4,1,0.488,75,183,417.379,3.501,5,0.404,0.63,1.0,0.835129531903228,0.6415170310465356,0.7850558563498047,0.7567079021314509,0.7546025803577547
EOS-4-00923,Cc1ncc(F)cc1-c1cnc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)cn1,JYENHSKPGZQRIR-UHFFFAOYSA-N,4,1,0.273,50,206,453.363,3.567,5,0.382,0.62,0.205,0.3198290041806593,0.4020457816462203,0.8548420259063807,0.7836080460557878,0.590081214447262
EOS-4-00924,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4Cl)n23)ccc1-c1ccsc1,CGDNMQOIGQVIOR-UHFFFAOYSA-N,4,1,0.529,59,103,484.915,6.039,5,0.275,0.6,1.0,0.9673685833733123,0.9255876910424234,0.9734768007675965,0.9615944760468782,0.9570068878075526
EOS-4-00925,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,IBLBOKDCWQZARS-UHFFFAOYSA-N,4,1,0.59,97,71,432.846,4.62,5,0.403,0.71,1.0,0.7648893153313686,0.8867795216229183,0.8736207251045165,0.889675142210952,0.8537411760674388
EOS-4-00926,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)c(Cl)c3)n12,PKYLSNZFLRJDGB-UHFFFAOYSA-N,4,1,0.558,35,619,447.861,4.057,5,0.387,0.69,1.0,0.9515197724624769,0.9381382358988417,0.787009115208005,0.8060619560002742,0.8706822698923995
EOS-4-00927,Fc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccn2)c1,WQJURRRQIOENCH-UHFFFAOYSA-N,4,1,0.624,11,595,430.418,4.148,5,0.377,0.82,1.0,0.897745185388253,0.8762250702487835,0.8340072647522445,0.8308546364197108,0.8597080392022479
EOS-4-00928,FC(F)c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1Cl,YWQAXYXVWUGMAA-UHFFFAOYSA-N,4,1,0.662,90,281,401.804,4.399,4,0.479,0.76,1.0,0.9576365567815777,0.9760126105133301,0.9518196148310603,0.9429785484202591,0.9571118326365567
EOS-4-00929,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c(F)cn1,YNSAWNLZVWTYEY-UHFFFAOYSA-N,4,1,0.482,75,183,417.379,3.501,5,0.404,0.64,1.0,0.7904187512850387,0.6710986224384895,0.8122130080186416,0.7718199575080529,0.7613875848125558
EOS-4-00930,COc1nc(C(F)F)ccc1-c1nnc2cncc(CNc3ccc(F)c(Cl)c3)n12,BAJNAKDVYAEYDT-UHFFFAOYSA-N,4,1,0.375,66,678,434.809,4.537,4,0.48,0.76,1.0,0.5841186347748613,0.6415255979713522,0.9116407374408882,0.8619697073538483,0.7498136693852374
EOS-4-00931,Fc1c(Cl)cncc1COc1cncc2nnc(-c3cc(-c4ccncc4)ccn3)n12,KCHRTOAQEXAGNG-UHFFFAOYSA-N,4,1,0.414,18,160,433.834,4.015,5,0.413,0.71,1.0,0.7015112055376602,0.627193132753067,0.805753546706874,0.8209084367075594,0.7388415804262902
EOS-4-00932,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1Cl,UQPVZZBVYFPEJH-UHFFFAOYSA-N,4,1,0.548,35,215,447.861,4.057,5,0.362,0.69,1.0,0.9457028305119595,0.9513741347405935,0.80005654170379,0.8016756904941402,0.8747022993626208
EOS-4-00933,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4F)n23)c1,AEDIRZLZOVWKPF-UHFFFAOYSA-N,4,1,0.573,84,752,449.396,3.682,5,0.365,0.6,1.0,0.877758549790967,0.9165153176615722,0.8340158316770612,0.8287557398396271,0.8642613597423068
EOS-4-00934,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cscn1,ORXMVVVSUIGKPA-UHFFFAOYSA-N,4,1,0.699,57,798,437.887,5.286,5,0.374,0.77,1.0,0.9810071276814475,0.9722431635939963,0.9106298403125214,0.9258532657117401,0.9474333493249264
EOS-4-00936,CC(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,MIVQXKCNXAMORX-UHFFFAOYSA-N,4,1,0.873,90,948,415.831,4.631,4,0.459,0.73,1.0,0.9821722294565143,0.9749588787608799,0.9385580152148585,0.9141337125625385,0.9524557089986978
EOS-4-00938,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(F)cc5F)n34)cn2)nc1,DQNGTMLBHNWUBS-UHFFFAOYSA-N,4,1,0.371,45,46,404.355,4.333,5,0.448,0.76,1.0,0.40515557535467067,0.6564834487012542,0.9272925090809403,0.9436553354807758,0.7331467171544103
EOS-4-00940,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)ccc1F,ZRDOGNMMHNWHMX-UHFFFAOYSA-N,4,1,0.556,90,385,429.242,4.125,4,0.444,0.71,0.999,0.9683966143513124,0.9754471934754301,0.9239000068535399,0.9445462956617092,0.9530725275854979
EOS-4-00941,Fc1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)cc1-c1ncccn1,UFHIGARNNWWVJN-UHFFFAOYSA-N,4,1,0.467,73,82,452.812,3.549,5,0.373,0.69,1.0,0.9188283873620725,0.9165238845863889,0.6059128915084642,0.6405061339181687,0.7704428243437736
EOS-4-00942,COc1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)c(F)c4)n23)cn1,ZLEJEKDSOAAVIR-UHFFFAOYSA-N,4,1,0.408,83,558,415.403,4.807,5,0.422,0.89,1.0,0.5433229387978891,0.7239222808580632,0.9358765677472415,0.9227606058529231,0.7814705983140292
EOS-4-00943,Fc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ncc(Cl)cn1,WRRHVYQCRPUVMC-UHFFFAOYSA-N,4,1,0.633,35,325,447.861,4.057,5,0.387,0.77,1.0,0.9629223493934618,0.957396682886711,0.6807278459324241,0.7008172846275101,0.8254660407100268
EOS-4-00944,Fc1cc(F)c(F)c(CNCc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)c1,IYDXFAKOZNZXJZ-UHFFFAOYSA-N,4,1,0.33,45,291,470.455,4.761,5,0.286,0.76,1.0,0.407520046604071,0.464901309026112,0.9464995545199095,0.9482557741073264,0.6917941710643547
EOS-4-00945,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ncncn5)c4)n23)ccn1,RKYDLIHUYYUUFX-UHFFFAOYSA-N,4,1,0.583,37,626,432.394,2.938,5,0.377,0.69,1.0,0.9629309163182784,0.9410338564868754,0.6352460420807347,0.6047734905078473,0.7859960763484339
EOS-4-00946,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)c(F)n1,ZDLBBFWSZQQFON-UHFFFAOYSA-N,4,1,0.471,55,930,452.812,3.549,5,0.373,0.65,1.0,0.9007607429237201,0.9014375299842369,0.6475995476663697,0.6574001096566376,0.776799482557741
EOS-4-00947,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1ccsc1,KDSGFPGIYLROSJ-UHFFFAOYSA-N,4,1,0.649,13,209,452.898,6.113,5,0.322,0.74,1.0,0.9391919676512919,0.8789493523404839,0.9487526557466932,0.9386865190871085,0.9263951237063944
EOS-4-00948,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c(Cl)n2)c1,SACLDAIZLYZPCQ-UHFFFAOYSA-N,4,1,0.553,58,28,465.851,4.196,5,0.347,0.54,1.0,0.9087879514769378,0.9367503940785415,0.7505397162634501,0.7836166129806045,0.8449236686998834
EOS-4-00949,FCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,PZIUFVHQWMUDMK-UHFFFAOYSA-N,4,1,0.598,90,400,418.259,4.584,4,0.459,0.77,1.0,0.9418648481940922,0.967479953395929,0.8722071825097663,0.9063549448290041,0.9219767322321979
EOS-4-00950,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,LODQKBCHRZUHII-UHFFFAOYSA-N,4,1,0.554,23,281,405.767,3.879,4,0.471,0.73,1.0,0.9457113974367761,0.9460626413542594,0.935294016859708,0.9503375368377767,0.9443513981221301
EOS-4-00951,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1Cl,PWVRXPIVSMLOJY-UHFFFAOYSA-N,4,1,0.806,23,281,404.232,4.254,4,0.466,0.78,1.0,0.9801247344253307,0.9858988417517648,0.9291343979165239,0.9516739771091769,0.9617079878006991
EOS-4-00952,Fc1cc(COc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)ncc1-c1ncccn1,UQOWFGKAYFVZIT-UHFFFAOYSA-N,4,1,0.489,27,242,468.374,3.833,5,0.274,0.56,1.0,0.7588839010348846,0.8676924131313823,0.8038174216983072,0.7361901171955315,0.7916459632650265
EOS-4-00953,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)cnn2)c1,XWWVFKFGYBPRAV-UHFFFAOYSA-N,4,1,0.419,2,875,436.357,3.035,5,0.387,0.51,1.0,0.7531783291069838,0.7379463367829484,0.8057621136316908,0.7996024946885066,0.7741223185525324
EOS-4-00954,CC(F)(F)c1ncc(-c2nnc3cncc(OCc4cnc(C(F)F)nc4)n23)cn1,BUQTXJCZLXXBJN-UHFFFAOYSA-N,4,1,0.457,68,900,420.33,3.0,4,0.439,0.66,1.0,0.732309300253581,0.6321362483722843,0.6860307723939415,0.42704406826125696,0.619380097320266
EOS-4-00955,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(C)(F)F)nc4)n23)c(C)c1F,NCDSQJQUJPPODK-UHFFFAOYSA-N,4,1,0.322,66,688,427.386,4.199,4,0.454,0.84,0.999,0.4010434514426701,0.4822493317798643,0.9199934891371393,0.7540778562127339,0.6393410321431019
EOS-4-00956,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)cnc1Cl,ZNQYRMQMUYSUOX-UHFFFAOYSA-N,4,1,0.483,73,775,469.267,4.063,5,0.355,0.62,1.0,0.8852460420807347,0.8254317730107601,0.6860393393187582,0.7361986841203482,0.7832289596326503
EOS-4-00957,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)c1,HJLLDRNBYAKQFL-UHFFFAOYSA-N,4,1,0.593,97,183,416.391,4.106,5,0.402,0.81,1.0,0.8870279624426016,0.7936656157905558,0.8800630525666506,0.8715132615996162,0.8580674730998561
EOS-4-00958,N#Cc1cc(-c2nnc3cncc(-c4ncc(-c5ccnc(F)c5)cn4)n23)ccc1Cl,XDBKRZMAHKNZNG-UHFFFAOYSA-N,4,1,0.349,82,261,428.818,3.974,5,0.4,0.77,1.0,0.39245082585155233,0.6272016996778836,0.8608817079021315,0.8909259132341855,0.6928650366664382
EOS-4-00959,Fc1cc(CCOc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nnc1Cl,GEENJXLSCZEWSK-UHFFFAOYSA-N,4,1,0.562,90,305,420.782,3.933,4,0.47,0.77,1.0,0.9616630114454116,0.9745048317455967,0.9002038928106367,0.9085566445068878,0.9362320951271332
EOS-4-00960,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccc1Cl,BBZLCQQFINTWAF-UHFFFAOYSA-N,4,1,0.806,23,281,404.232,4.254,4,0.466,0.76,1.0,0.9801333013501473,0.9859074086765814,0.9291429648413405,0.9509286546501268,0.961528082379549
EOS-4-00961,OCc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1cccnc1,QFCJPLKEYLOGNB-UHFFFAOYSA-N,4,1,0.528,97,744,446.417,3.598,5,0.398,0.64,1.0,0.6924988006305257,0.6614950997190049,0.8681121924473991,0.8329106983757111,0.7637541977931601
EOS-4-00962,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)c1,ZZXCSNZCGLFDOT-UHFFFAOYSA-N,4,1,0.548,97,801,416.391,4.106,5,0.402,0.81,1.0,0.832782194503461,0.8137550544856418,0.8773559043245837,0.8682406963196491,0.8480334624083339
EOS-4-00963,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1cccnc1,MIIWYHRVKJULNQ-UHFFFAOYSA-N,4,1,0.54,97,744,441.401,3.977,5,0.38,0.66,1.0,0.7704835172366528,0.8292611884038106,0.9013518607360702,0.8870879309163183,0.847046124323213
EOS-4-00964,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4cccc(F)c4F)n23)cc1F,MQBXFNKZKFYVIM-UHFFFAOYSA-N,4,1,0.466,13,145,422.37,4.401,5,0.429,0.74,1.0,0.8173274621341923,0.7811921732574875,0.9475275854979097,0.9361592762661914,0.8705516242889453
EOS-4-00965,Fc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)c1,FFPSOXFXQCBHDF-UHFFFAOYSA-N,4,1,0.411,44,971,419.807,4.228,5,0.43,0.72,1.0,0.6183177986429991,0.6564920156260708,0.7828712905215544,0.8209170036323761,0.7196495271057501
EOS-4-00966,Clc1ccc(-c2nnc3cncc(OCCc4cncc(Br)c4)n23)cc1,UFCWGGHPELWUSV-UHFFFAOYSA-N,4,1,0.75,90,400,430.693,4.224,4,0.474,0.84,1.0,0.9829603865396477,0.987158179699815,0.7593550818998013,0.8247464190254267,0.8885550167911727
EOS-4-00967,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cn4)n23)nc1-c1cncnc1,GLFGXXZXAAZIKO-UHFFFAOYSA-N,4,1,0.439,46,128,466.383,3.358,5,0.356,0.71,0.991,0.7501884723459666,0.8396100335823453,0.780506819272154,0.7120056884380783,0.7705777534096361
EOS-4-00968,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1F,WJPXTWRRTQRBQI-UHFFFAOYSA-N,4,1,0.37,0,188,441.388,4.508,5,0.473,0.9,1.0,0.4394832430950586,0.589978411349462,0.9640446165444452,0.9579792337742444,0.7378713761908026
EOS-4-00969,NC(=O)c1ccc(-c2nnc3cncc(CNc4cc(F)cc(OC(F)F)c4)n23)cc1F,BAYSSCZTBHKNCE-UHFFFAOYSA-N,4,1,0.469,66,678,446.364,3.382,4,0.422,0.8,1.0,0.7107549174148448,0.8465406757590296,0.9281577684874237,0.8841666095538345,0.8424049928037831
EOS-4-00970,CCOc1cc(C(F)F)c(F)cc1-c1cncc2nnc(-c3ccc(C#N)cn3)n12,IKFTXFFHDKHQSO-UHFFFAOYSA-N,4,1,0.319,68,861,410.359,4.2,4,0.49,0.73,0.951,0.502450140497567,0.6369851278185182,0.9670858748543623,0.9386950860119252,0.7613040572955931
EOS-4-00971,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5nncs5)c4)n23)c(F)c1,NHPAJMLRIOPCSW-UHFFFAOYSA-N,4,1,0.494,13,145,426.383,4.519,5,0.421,0.78,1.0,0.7733791378246865,0.8789579192653005,0.8906774724145021,0.9052583784524707,0.86206822698924
EOS-4-00972,FC(F)(F)c1cc(-c2nnc3cncc(COc4cccnn4)n23)ccc1-c1nccs1,WPVZOLSSBQNSQR-UHFFFAOYSA-N,4,1,0.38,14,351,455.425,4.303,5,0.39,0.67,1.0,0.5614248509355082,0.5992049893770133,0.9035792611884038,0.7974350627098896,0.7154110410527037
EOS-4-00973,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ccc(Cl)nc5)cc4)n23)ccn1,CNLMQHKNMQVJHC-UHFFFAOYSA-N,4,1,0.416,14,189,432.846,4.62,5,0.377,0.81,1.0,0.5929682681104791,0.6757761633883901,0.8884586388869852,0.8896837091357687,0.7617216948804058
EOS-4-00974,Cc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cc1C#N,IXJBSUUNSUHBQM-UHFFFAOYSA-N,4,1,0.568,90,281,426.814,3.92,4,0.449,0.74,1.0,0.9188369542868892,0.9555462271263108,0.9363820163114248,0.9289630594201905,0.9349320642862038
EOS-4-00975,Clc1ccc(COc2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2)cc1,QQYMPQOTWQIKRI-UHFFFAOYSA-N,4,1,0.716,79,397,457.921,5.04,5,0.325,0.85,1.0,0.9294171064354739,0.9336748680693578,0.8668185868000823,0.8427712288396957,0.8931704475361524
EOS-4-00976,COc1ccc(F)c(F)c1-c1nnc2cncc(OCCc3ccc(F)c(Cl)n3)n12,WFPJWIMBYKQSCL-UHFFFAOYSA-N,4,1,0.517,90,385,435.793,3.887,4,0.428,0.69,1.0,0.8960832019738195,0.839618600507162,0.8980364608320197,0.879951682544034,0.8784224864642587
EOS-4-00977,FC(F)c1cc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)ccc1Cl,MPNCRVNFGBZNJW-UHFFFAOYSA-N,4,1,0.389,68,568,408.199,3.812,4,0.511,0.66,1.0,0.46748852032074567,0.6184463025152491,0.8694743334932493,0.9120776506065382,0.7168717017339457
EOS-4-00978,Cc1cc(-c2nnc3cncc(OCCc4cnc(C(F)(F)F)nn4)n23)ccc1Cl,NOIJZYFUOSPCKQ-UHFFFAOYSA-N,4,1,0.561,68,127,435.797,3.578,4,0.473,0.58,1.0,0.8469518881502296,0.9291943663902406,0.7735419093962032,0.6953430196696594,0.8112577959015832
EOS-4-00979,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1ccccc1,SYXGTOWROJVFBR-UHFFFAOYSA-N,4,1,0.489,1,955,461.884,5.233,5,0.322,0.7,1.0,0.9622369954081283,0.8946953601535192,0.9163182783907888,0.8937958330477692,0.9167616167500514
EOS-4-00980,Fc1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1-c1nc[nH]n1,ATPXCTVUNXOZAF-UHFFFAOYSA-N,4,1,0.535,34,607,423.358,3.573,5,0.465,0.61,1.0,0.9522051264478103,0.8841323418545679,0.902465560962237,0.8992015626070866,0.9095011479679254
EOS-4-00981,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cc4F)n23)cc1F,JFUOXXHNAANVRB-UHFFFAOYSA-N,4,1,0.36,96,648,463.379,3.557,5,0.423,0.71,0.999,0.6013809882804468,0.6272102666027003,0.7976406689054897,0.7386231238434652,0.6912137619080255
EOS-4-00982,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)cc1F,SBEFPJHZWNXJAN-UHFFFAOYSA-N,4,1,0.582,43,178,440.41,4.306,5,0.379,0.68,1.0,0.920207662257556,0.9255962579672401,0.9116493043657049,0.9005123021040368,0.9144913816736344
EOS-4-00983,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)ccn2)ncn1,FBHMBTKOMZXWFY-UHFFFAOYSA-N,4,1,0.506,24,486,436.357,3.035,5,0.387,0.57,1.0,0.6925073675553424,0.7239308477828799,0.7617795216229183,0.7277516962511137,0.7264923583030636
EOS-4-00984,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccc2F)nc1,OHDMXRCOMDGXDL-UHFFFAOYSA-N,4,1,0.519,73,196,452.812,3.549,5,0.399,0.7,1.0,0.9392005345761085,0.9305136728120074,0.589927009800562,0.6462888081694195,0.7764825063395244
EOS-4-00985,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5noc(C(F)F)n5)c(F)c4)n23)c1,DDMUQKUIQNXSPQ-UHFFFAOYSA-N,4,1,0.593,43,679,456.359,4.636,5,0.344,0.77,1.0,0.8907203070385854,0.8732951819614831,0.8955948872592694,0.8715218285244328,0.8827830511959427
EOS-4-00986,N#Cc1cc(-c2nnc3cncc(-c4cnc(-c5ccnc(F)c5)cn4)n23)ccc1Cl,YKYGUOJBHSSWJD-UHFFFAOYSA-N,4,1,0.37,96,216,428.818,3.974,5,0.4,0.68,1.0,0.364968131039682,0.6226954972243164,0.8773644712494003,0.9016003015557535,0.691657100267288
EOS-4-00987,Fc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)c1,VVZIVDOLVRLCFZ-UHFFFAOYSA-N,4,1,0.562,11,595,430.418,4.148,5,0.377,0.77,1.0,0.8833099170721678,0.8360547597834281,0.8322681790144609,0.8227931601672264,0.8436065040093208
EOS-4-00988,Clc1ccc(COc2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2)cc1,YZMHSDBLSJGSAV-UHFFFAOYSA-N,4,1,0.684,79,397,457.921,5.04,5,0.325,0.85,1.0,0.9545438969227606,0.942361729833459,0.8519978068672469,0.8308632033445275,0.8949416592419984
EOS-4-00989,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3Cl)n12,WHCLHEQCILXZGX-UHFFFAOYSA-N,4,1,0.539,37,386,465.851,4.196,5,0.347,0.7,1.0,0.9439551778493592,0.9565399904050442,0.842120142553629,0.8585600712768144,0.9002938455212117
EOS-4-00990,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2)nc1,IOZCASDZZFVVRK-UHFFFAOYSA-N,4,1,0.597,35,161,431.406,3.543,5,0.406,0.76,1.0,0.9576451237063943,0.927506682201357,0.6860479062435748,0.6574086765814543,0.807152097183195
EOS-4-00991,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)c1,NBVOJLRDJJIPFB-UHFFFAOYSA-N,4,1,0.494,34,712,435.369,3.64,5,0.389,0.81,1.0,0.7501970392707834,0.8327736275786444,0.8404238914399287,0.8368343499417449,0.8150572270577753
EOS-4-00992,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5cccnn5)c4)n23)n1,SQCFYTPCLSOFBW-UHFFFAOYSA-N,4,1,0.452,73,526,436.357,3.035,5,0.387,0.69,1.0,0.8147916523884586,0.8137636214104585,0.6807364128572407,0.6808906175039408,0.7475455760400247
EOS-4-00993,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cncc5F)n34)cn2)nc1,NQKAPYJEGVBBBG-UHFFFAOYSA-N,4,1,0.558,73,263,450.384,3.077,5,0.389,0.65,1.0,0.9103385648687548,0.930522239736824,0.5964378726612295,0.5987852100609965,0.7590209718319512
EOS-4-00994,Fc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1nc[nH]n1,KWNNXODQYBNLDO-UHFFFAOYSA-N,4,1,0.523,47,607,423.358,3.573,5,0.465,0.59,1.0,0.9567541635254609,0.8706565691179494,0.9035878281132205,0.8966828867109862,0.9069203618669043
EOS-4-00995,Fc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1nncs1,XQDJBZPKUKYAII-UHFFFAOYSA-N,4,1,0.542,34,178,440.41,4.306,5,0.405,0.66,1.0,0.9338633404153245,0.9275152491261737,0.9013604276608869,0.9005208690288534,0.9158149715578097
EOS-4-00996,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccncn5)c4)n23)ccn1,AHELYNJZYVEXCR-UHFFFAOYSA-N,4,1,0.576,35,595,431.406,3.543,5,0.38,0.67,1.0,0.9597097525872113,0.9292029333150572,0.7870176821328216,0.7593636488246179,0.858823504214927
EOS-4-00997,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCc3cccc(OC(F)(F)F)c3)n12,SOXLDMJSUWVHES-UHFFFAOYSA-N,4,1,0.517,24,713,488.426,4.927,5,0.248,0.68,1.0,0.9118634774861216,0.9395603454184086,0.9481529710095264,0.8992101295319033,0.92469673086149
EOS-4-00998,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)cc1F,RGYMWKSHBQFAHT-UHFFFAOYSA-N,4,1,0.432,54,445,435.369,3.64,5,0.389,0.68,0.976,0.8070557192790077,0.7331916935096977,0.8231529710095264,0.8267168117332603,0.797529298882873
EOS-4-01000,CC(C)(O)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nn1,CZKVIICPVLRDDB-UHFFFAOYSA-N,4,1,0.407,66,455,415.379,2.813,4,0.547,0.65,1.0,0.3443818107052293,0.4341888835583579,0.8249348913713933,0.6229011034199163,0.5566016722637241
EOS-4-01001,O=C(c1ncc(CF)cn1)c1ccc(-c2cncc3nnc(-c4c(F)cccc4Cl)n23)o1,KUUBQEUYGXOTDW-UHFFFAOYSA-N,4,1,0.325,22,140,452.808,4.334,5,0.366,0.65,0.996,0.35824309505859775,0.45160544171064354,0.5773935987937769,0.657417243506271,0.5111648447673223
EOS-4-01002,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ccn2)nc1,QKSJKUOYNKPLIQ-UHFFFAOYSA-N,4,1,0.512,24,199,417.379,3.501,5,0.432,0.75,1.0,0.860479062435748,0.6954029881433761,0.7735504763210198,0.7515677472414503,0.7702500685353985
EOS-4-01003,COCc1cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1Cl,QJTBZCVBDYRVBT-UHFFFAOYSA-N,4,1,0.506,90,708,417.803,3.843,4,0.474,0.72,1.0,0.8604876293605648,0.9237372352820231,0.9132770200808717,0.9040504420533205,0.900388081694195
EOS-4-01004,CC1CCCN1C(=O)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,ACWNBLLKVKOSBP-UHFFFAOYSA-N,4,1,0.442,0,345,465.479,5.025,5,0.424,0.84,1.0,0.3857771914193681,0.3447587553971626,0.7407562881228155,0.764520937564252,0.5589532931258996
EOS-4-01005,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cc1F,XJXPGWAUBSSHPY-UHFFFAOYSA-N,4,1,0.494,13,724,456.815,5.055,5,0.378,0.63,1.0,0.8539253649509972,0.867700980056199,0.9493951751079432,0.9490267973408265,0.9050120793639915
EOS-4-01006,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)nc1,URAXTQJZDXLVMG-UHFFFAOYSA-N,4,1,0.506,73,196,452.812,3.549,5,0.399,0.69,1.0,0.9448547049551093,0.9256048248920568,0.5931910081557125,0.6432389829346857,0.7767223802343911
EOS-4-01008,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)ccn2)c(F)n1,VSDRTFUVMHSTJN-UHFFFAOYSA-N,4,1,0.558,75,904,466.839,3.591,5,0.374,0.62,1.0,0.8671098622438489,0.8677095469810157,0.6117041326845316,0.6462973750942361,0.748205229250908
EOS-4-01009,Cc1cc(F)nc(Oc2ccc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)c(F)c2)n1,GTVFIKVOOHVKED-UHFFFAOYSA-N,4,1,0.301,45,575,451.824,4.676,5,0.366,0.68,1.0,0.5049088479199506,0.6467514221095195,0.7689757384689192,0.7791532451511205,0.6749473134123773
EOS-4-01010,Fc1cncc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)cn2)c1,VMMOBUKBEGRJCW-UHFFFAOYSA-N,4,1,0.483,73,526,451.824,4.154,5,0.396,0.7,1.0,0.7790932766774039,0.8677181139058323,0.8212682475498595,0.8465406757590296,0.8286550784730313
EOS-4-01011,Cc1cnnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2F)n1,UXSYGFZZGMZPDR-UHFFFAOYSA-N,4,1,0.494,13,145,435.369,4.161,5,0.419,0.75,1.0,0.7961157562881228,0.8677266808306491,0.8340243986018778,0.8329192653005277,0.8326965252552944
EOS-4-01013,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,HEPLETHFVZIFAY-UHFFFAOYSA-N,4,1,0.847,23,721,429.814,3.443,4,0.506,0.84,1.0,0.8557672537865808,0.5651514632307587,0.8873706394352683,0.8799602494688507,0.7970624014803647
EOS-4-01014,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccncc5)ncc4F)n23)ccn1,SKSHAEBEJPZWOU-UHFFFAOYSA-N,4,1,0.529,35,578,431.406,3.543,5,0.38,0.71,1.0,0.8044085395106573,0.7685045576040025,0.7304588444931808,0.7034815982454938,0.7517133849633335
EOS-4-01015,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1F,HZZDDYOKUDBKSP-UHFFFAOYSA-N,4,1,0.847,23,721,446.269,3.958,4,0.484,0.81,1.0,0.8539339318758139,0.5557706805565075,0.8884672058118018,0.9005294359536701,0.7996753135494483
EOS-4-01016,Fc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5ccncn5)c4)n23)nc(Cl)n1,XWAFGTWEZPBHGA-UHFFFAOYSA-N,4,1,0.484,4,911,452.812,3.549,5,0.294,0.66,1.0,0.8833184839969844,0.9083853060105544,0.7252758549790967,0.7333715989308478,0.8125878109793709
EOS-4-01017,Cc1cc(Oc2cncc3nnc(-c4cnc(-c5cnc(CF)nc5)cc4F)n23)ccc1F,OCOLPRGTHOFCLV-UHFFFAOYSA-N,4,1,0.489,13,995,449.396,4.492,5,0.39,0.62,1.0,0.8070642862038243,0.8061904598725241,0.7758378452470701,0.7465132615996162,0.7839014632307586
EOS-4-01018,Fc1cnnc(COc2cncc3nnc(-c4ccc(F)c(-c5cnnc(F)c5)c4)n23)c1,FAUFEAMNUSJIKI-UHFFFAOYSA-N,4,1,0.462,34,534,436.357,3.035,5,0.414,0.64,1.0,0.7502056061956001,0.8841409087793846,0.7805153861969707,0.7906072236310054,0.8013672812007402
EOS-4-01019,CC(F)(F)c1ccc(-c2cncc3nnc(-c4cncnc4-c4cnc(Cl)cn4)n23)cn1,KOTDITDDJWHORL-UHFFFAOYSA-N,4,1,0.353,50,243,451.828,3.865,5,0.405,0.68,0.72,0.2913868137893222,0.43419745048317454,0.7735590432458365,0.6925759029538757,0.5479298026180522
EOS-4-01020,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1Cl,VUUAVWYXFIQNTC-UHFFFAOYSA-N,4,1,0.556,90,385,412.787,3.611,4,0.465,0.71,0.999,0.9698701254197793,0.9839541498183811,0.9239085737783566,0.9311304913988074,0.9522158351038311
EOS-4-01021,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)ccn2)cn1,CVRWGZKUCCHECD-UHFFFAOYSA-N,4,1,0.478,73,525,451.824,4.154,5,0.371,0.65,1.0,0.7138561441984785,0.8215509560688096,0.8484853676924131,0.8585686382016311,0.810615276540333
EOS-4-01022,N#Cc1cc(-c2nnc3cncc(-c4cnc(-c5cnc(F)cn5)cn4)n23)ccc1Cl,MBOGEACZEHQNTR-UHFFFAOYSA-N,4,1,0.425,50,845,429.806,3.369,5,0.428,0.7,1.0,0.38578575834418477,0.6467599890343362,0.7407648550476321,0.7929031594818724,0.6415534404770064
EOS-4-01023,Fc1nccnc1-c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,SLSXRNFHMQOLAO-UHFFFAOYSA-N,4,1,0.697,11,429,447.861,4.057,5,0.387,0.74,1.0,0.9824720718250977,0.9891885408813652,0.6263792748954835,0.6690939620313893,0.816783462408334
EOS-4-01024,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cc2)nc1,HYEZFXZVRAKWJO-UHFFFAOYSA-N,4,1,0.595,35,300,431.406,3.543,5,0.38,0.77,1.0,0.977614625454047,0.9410424234116921,0.6352546090055514,0.6080117880885477,0.7904808614899596
EOS-4-01025,Fc1ccc(-c2nccnc2COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c(F)c1,AEXAFFFPZDTSRJ-UHFFFAOYSA-N,4,1,0.467,73,71,451.824,4.154,5,0.371,0.69,1.0,0.8044171064354739,0.9336834349941745,0.7850644232746213,0.8329278322253444,0.8390231992324035
EOS-4-01026,FC(F)c1ccc(-c2nnc3cncc(CNc4ccc(OC(F)(F)F)nn4)n23)cn1,DRZFDIHTAANEJG-UHFFFAOYSA-N,4,1,0.353,68,455,438.32,3.425,4,0.457,0.65,1.0,0.36047906243574807,0.31060242615310807,0.9399201562607087,0.8408950723048455,0.6129741792886025
EOS-4-01027,COc1cc(-c2nnc3cncc(Cc4ccc(C(F)F)cn4)n23)ccc1-c1cccnc1,PNPFQQNDJMTYJE-UHFFFAOYSA-N,4,1,0.385,14,257,444.445,4.785,5,0.375,0.72,1.0,0.5124391748338016,0.4693218422315126,0.9068946610924542,0.8446388184497293,0.6833236241518744
EOS-4-01028,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)c1,YPGPBIMCNNMJCD-UHFFFAOYSA-N,4,1,0.615,57,709,437.887,5.286,5,0.374,0.76,1.0,0.9228377081762731,0.9104499348913714,0.9024741278870536,0.9206103077239394,0.9140930196696593
EOS-4-01029,Cn1c(C#N)ccc1-c1nc(-c2cncc3nnc(-c4cnc(C(F)(F)F)nc4)n23)ccc1F,KDDPDXJHSODTRV-UHFFFAOYSA-N,4,1,0.303,50,243,465.374,3.678,5,0.374,0.67,0.959,0.277388458638887,0.43420601740799125,0.8862740730587348,0.792911726406689,0.5976950688780756
EOS-4-01031,Cc1cc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ncn2)ncc1F,MSFQVNIMVCDJQE-UHFFFAOYSA-N,4,1,0.379,44,971,435.369,4.161,5,0.419,0.69,0.997,0.7015197724624769,0.6662840106915222,0.8484939346172298,0.8368429168665615,0.7632851586594477
EOS-4-01032,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2F)nc1,HGTXGQVGLMXBRK-UHFFFAOYSA-N,4,1,0.578,73,361,432.394,2.938,5,0.403,0.69,1.0,0.9684051812761291,0.9256133918168734,0.5374802960729217,0.5320317318895209,0.7408826502638612
EOS-4-01033,Fc1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1ncccn1,BZZAJVZCMJAMFF-UHFFFAOYSA-N,4,1,0.506,73,490,449.396,3.682,5,0.391,0.69,1.0,0.9561287780138441,0.9448804057295593,0.7380919745048318,0.7465218285244328,0.8464057466931669
EOS-4-01034,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccncn1,DZUBOKYARDYCGU-UHFFFAOYSA-N,4,1,0.552,35,429,447.861,4.057,5,0.387,0.65,1.0,0.964618600507162,0.9472705777534096,0.7713145089438695,0.7882855870056884,0.8678723185525323
EOS-4-01035,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)c2ccccc2n1,RMBXENZYQOQPDD-UHFFFAOYSA-N,4,1,0.522,57,709,480.478,5.567,6,0.321,0.77,1.0,0.9646271674319786,0.8894010006168186,0.8594338976081146,0.8585772051264479,0.8930098176958399
EOS-4-01036,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1F,PMAXLPBRMNKOJW-UHFFFAOYSA-N,4,1,0.847,23,721,429.814,3.443,4,0.506,0.8,1.0,0.8581317250359811,0.5607908984990748,0.8873792063600849,0.8799688163936673,0.7965676615722019
EOS-4-01037,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)ccc1F,DWFWQUYALWFXRL-UHFFFAOYSA-N,4,1,0.542,90,385,434.258,3.746,4,0.466,0.76,0.998,0.9317387430607909,0.9165324515112055,0.8943012816119525,0.9129771777122884,0.9138874134740593
EOS-4-01038,COc1cnc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)nc1,CKCQMWIHIKYUJZ-UHFFFAOYSA-N,4,1,0.459,13,724,467.823,4.376,5,0.375,0.73,1.0,0.8907288739634021,0.8706651360427661,0.7931087656774725,0.7491176067438832,0.8259050956068809
EOS-4-01039,CC(Oc1cncc2nnc(-c3ccc(-c4cccnc4)nc3F)n12)c1cccc(F)c1,SKVTXKIMWZBSBO-UHFFFAOYSA-N,4,1,0.522,11,436,430.418,4.667,5,0.377,0.68,1.0,0.8423857172229456,0.8733037488862998,0.9086851483791378,0.8841751764786512,0.8771374477417586
EOS-4-01040,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)nn5)n34)c(F)c2)nn1,GJXKEIMCGJUGJM-UHFFFAOYSA-N,4,1,0.456,34,820,470.802,3.688,5,0.383,0.63,1.0,0.8516808306490302,0.9165410184360222,0.7911897745185388,0.8267253786580769,0.8465342505654171
EOS-4-01041,Cc1ccc(-c2nnc3cncc(CNc4cc(OC(F)F)ccc4Cl)n23)cn1,DAYAMRSDTIJYIZ-UHFFFAOYSA-N,4,1,0.436,66,678,416.819,4.362,4,0.503,0.85,1.0,0.4674970872455623,0.5557792474813241,0.9163268453156055,0.8857600575697347,0.7063408094030567
EOS-4-01042,Fc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1cccnn1,AMYZEWPOWQRYBI-UHFFFAOYSA-N,4,1,0.533,37,386,465.851,4.196,5,0.347,0.68,1.0,0.9567627304502776,0.9602751696251114,0.8503615242272634,0.8634260845726818,0.9077063772188335
EOS-4-01043,CCc1cncc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)c(F)c4)n23)c1,COKNFAHLFIVXKK-UHFFFAOYSA-N,4,1,0.494,97,214,460.9,5.182,5,0.347,0.72,1.0,0.8944726201082859,0.9014460969090535,0.862440888218765,0.8465492426838462,0.8762272119799877
EOS-4-01044,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)ccn2)nc1,XXIRYZUJEWXMCE-UHFFFAOYSA-N,4,1,0.598,75,583,447.861,4.057,5,0.387,0.71,1.0,0.8604961962853814,0.852897333972997,0.7096412171886779,0.7386316907682818,0.7904166095538346
EOS-4-01045,Fc1cc(F)c(Oc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)c(F)c1,GKXYQIRGTUBDDN-UHFFFAOYSA-N,4,1,0.417,13,724,426.383,4.519,5,0.421,0.65,1.0,0.6654187512850387,0.710129531903228,0.895603454184086,0.887096497841135,0.789562058803372
EOS-4-01046,FC(F)(F)c1cc(-c2nnc3cncc(-c4ncc(-c5cccnn5)nn4)n23)ccn1,HQEMKCVCEHEZOB-UHFFFAOYSA-N,4,1,0.34,50,542,422.334,2.514,5,0.432,0.69,0.819,0.29413679665547254,0.3782725652799671,0.6446953601535192,0.542063600849839,0.46479208073469946
EOS-4-01047,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1cccnc1,ACOPQQPIXSFYED-UHFFFAOYSA-N,4,1,0.62,97,71,432.846,4.62,5,0.403,0.71,1.0,0.8280446850798437,0.9144935234048386,0.877373038174217,0.8938043999725859,0.8784289116578713
EOS-4-01048,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c1,HAABXMFNMMJJKA-UHFFFAOYSA-N,4,1,0.565,75,496,431.406,3.543,5,0.38,0.73,1.0,0.8469604550750462,0.7147642382290453,0.7096497841134947,0.6868788979507916,0.7395633438420944
EOS-4-01049,NC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)c(F)c1,QUVFOYBNSVIHSZ-UHFFFAOYSA-N,4,1,0.475,48,678,428.374,3.243,4,0.468,0.84,1.0,0.692515934480159,0.8215595229936262,0.8681207593722158,0.7765660338564869,0.789690562675622
EOS-4-01050,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ncc(C(F)F)cc4CF)n23)cn1,ZSKYVZPHUXRDHO-UHFFFAOYSA-N,4,1,0.278,68,364,435.36,4.086,4,0.425,0.53,0.993,0.29682681104790626,0.32547460763484337,0.8862826399835515,0.7695325885820026,0.5695291618120759
EOS-4-01051,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c(F)c1,RYLCMHGKDYSWSG-UHFFFAOYSA-N,4,1,0.4,0,999,441.388,4.508,5,0.473,0.89,1.0,0.4777345624014804,0.5992135563018299,0.9657837022822288,0.9579878006990611,0.75017990542115
EOS-4-01052,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nc(F)ccc1F,SETBUKYNTWKIBI-UHFFFAOYSA-N,4,1,0.511,35,313,478.434,4.296,5,0.323,0.64,1.0,0.9545524638475773,0.8970512644781029,0.8762336371736001,0.814937290110342,0.8856936639024056
EOS-4-01054,Fc1ccc(COc2ncc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)cc1,GXWQTEOQZIJBFQ-UHFFFAOYSA-N,4,1,0.547,84,657,461.432,3.455,5,0.324,0.72,1.0,0.7904273182098553,0.6039767664998972,0.6293519978068672,0.5614334178603249,0.6462973750942362
EOS-4-01055,CC(F)c1ncc(-c2cncc3nnc(-c4ccc(Br)nc4)n23)cc1F,PWHJVLPPGKHPMP-UHFFFAOYSA-N,4,1,0.425,68,861,417.217,4.18,4,0.468,0.79,1.0,0.32732506339524364,0.46933040915632923,0.8485025015420464,0.8080751833321911,0.6133082893564525
EOS-4-01056,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)ccn1,CFEOFNFUQXQTGZ-UHFFFAOYSA-N,4,1,0.558,75,496,431.406,3.543,5,0.38,0.66,1.0,0.830203550133644,0.7512593379480502,0.7593636488246179,0.7333801658556645,0.7685516756904942
EOS-4-01057,N#Cc1ccc(-c2nnc3cncc(CNc4cccc(OC(F)(F)F)c4)n23)nc1,BYADSBKUNPVGKZ-UHFFFAOYSA-N,4,1,0.337,66,225,411.347,3.569,4,0.536,0.9,1.0,0.3510554451374135,0.33970426975532864,0.9635563018298952,0.9163525460900556,0.6426671407031732
EOS-4-01059,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(C)n4)n23)ccc1-c1cc(F)cc(C#N)c1,ANVURMLNBFQCHO-UHFFFAOYSA-N,4,1,0.398,57,209,470.439,5.113,5,0.352,0.71,1.0,0.8992615310808032,0.8706737029675827,0.9385665821396751,0.8883558357891851,0.8992144129943116
EOS-4-01060,Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(F)c(C(F)(F)F)c5)n34)on2)s1,KJGLKWBGOMATJF-UHFFFAOYSA-N,4,1,0.537,27,805,476.415,4.948,5,0.332,0.68,1.0,0.8795833047769173,0.8841494757042012,0.9264615173737235,0.8534199163868138,0.885903553560414
EOS-4-01061,N#Cc1cc(-c2nnc3cncc(OCCc4cc(Cl)c(Cl)cn4)n23)ccc1Cl,TZHSJSOMLINGOQ-UHFFFAOYSA-N,4,1,0.56,90,281,445.697,4.64,4,0.444,0.71,1.0,0.9508001507778767,0.9703156055102461,0.9385751490644918,0.9651326159961621,0.9562058803371942
EOS-4-01062,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cccc(F)c1F,XZRJXOFEJACFDK-UHFFFAOYSA-N,4,1,0.568,91,955,459.456,4.762,5,0.349,0.77,1.0,0.9610033582345281,0.8841580426290179,0.9086937153039545,0.8619782742786649,0.9039583476115413
EOS-4-01063,COC(C)(c1ncc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C)C(F)(F)F,RXCACUPLEXLSPC-UHFFFAOYSA-N,4,1,0.4,66,455,450.852,4.193,4,0.456,0.59,1.0,0.44170207662257555,0.5651600301555754,0.9481615379343431,0.9063635117538208,0.7153467891165787
EOS-4-01064,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3ccc(Cl)nc3)n12,CQVWAAGGFQOUAK-UHFFFAOYSA-N,4,1,0.622,90,281,404.232,4.254,4,0.466,0.74,1.0,0.9457199643615928,0.9780087039956137,0.9210900555136728,0.9482643410321431,0.9482707662257556
EOS-4-01065,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cc5F)c4)n23)n1,RKWNEORMTFCKRL-UHFFFAOYSA-N,4,1,0.547,24,912,451.824,4.154,5,0.371,0.67,1.0,0.6745853608388733,0.7897248303748886,0.7713230758686862,0.7996110616133233,0.7588110821739429
EOS-4-01066,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)n2)nc1,ZBBXAAKZRHMBHH-UHFFFAOYSA-N,4,1,0.506,73,263,450.384,3.077,5,0.364,0.69,1.0,0.8907374408882187,0.910458501816188,0.5708741690082928,0.5742752381605098,0.7365863374683024
EOS-4-01068,Fc1cnc(Oc2nc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)c(F)c1,VKIDHTKKASSULS-UHFFFAOYSA-N,4,1,0.462,73,161,483.385,3.947,5,0.321,0.68,1.0,0.8173360290590089,0.7469159070659996,0.7931173326022891,0.7465303954492495,0.7759749160441367
EOS-4-01069,Fc1cc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)ccc1-c1cc[nH]n1,BPZOHAGXXLTITE-UHFFFAOYSA-N,4,1,0.565,37,559,437.385,3.615,5,0.436,0.67,1.0,0.9267099581934068,0.8706822698923994,0.8534541840860804,0.8518607360701802,0.8756767870605167
EOS-4-01070,Cc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1-c1ccccn1,RYCPWLJLBPMXLA-UHFFFAOYSA-N,4,1,0.444,59,445,448.408,4.553,5,0.367,0.74,0.99,0.8351380988280447,0.776874443149887,0.8896408745116853,0.8682492632444657,0.8424756699335207
EOS-4-01072,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1,RKOHUWWZRSVYPD-UHFFFAOYSA-N,4,1,0.8,90,305,403.776,4.02,4,0.484,0.82,1.0,0.9228462751010897,0.9482300733328765,0.9445719964361593,0.935371119183058,0.9377548660132958
EOS-4-01073,Fc1nccc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cn5)c4)n23)c1Cl,UGGMNLRHSYGHTR-UHFFFAOYSA-N,4,1,0.57,75,698,482.306,4.711,5,0.324,0.64,1.0,0.9040590089781372,0.9124545952984716,0.8079124117606744,0.8482968953464465,0.8681807278459324
EOS-4-01074,N#Cc1ccc(-c2nnc3cncc(OCc4sc(F)cc4F)n23)cc1-c1ncc(F)cn1,VGPNZOYYNVTLJB-UHFFFAOYSA-N,4,1,0.467,73,82,465.42,4.178,5,0.384,0.61,1.0,0.934959906791858,0.894703927078336,0.8436707559454458,0.8349667603317114,0.8770753375368379
EOS-4-01075,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1cnccn1,AZXRHEAEXLBQNS-UHFFFAOYSA-N,4,1,0.529,37,490,449.396,3.682,5,0.391,0.61,1.0,0.9215184017545062,0.9201134260845727,0.8038259886231238,0.8016842574189569,0.8617855184702898
EOS-4-01076,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)c1F,IDHNNOALWNKRAL-UHFFFAOYSA-N,4,1,0.541,35,201,431.406,3.543,5,0.38,0.64,1.0,0.9457285312864094,0.9219467479953396,0.7666541018436023,0.7172143787266123,0.837885939962991
EOS-4-01077,FC(F)(F)c1cnc(Cc2cncc3nnc(-c4cnc(-c5ccccn5)cn4)n23)cn1,CNPUQSSGDUHNIY-UHFFFAOYSA-N,4,1,0.356,85,674,435.373,3.043,5,0.424,0.72,1.0,0.28846549242683844,0.32091700363237613,0.6697022136933726,0.5420721677746556,0.45528921938181066
EOS-4-01078,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cnc5F)n34)c(F)n2)nc1,XRKXRWOMBVSHCI-UHFFFAOYSA-N,4,1,0.494,73,263,468.374,3.216,5,0.276,0.65,1.0,0.9215269686793228,0.9237458022068399,0.6503923651566034,0.6574258104310876,0.7882727366184634
EOS-4-01079,O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2nnc3cncc(Br)n23)cc1,SMXIZWFJULTNSH-UHFFFAOYSA-N,4,1,0.582,23,646,446.667,4.599,4,0.499,0.87,1.0,0.35106401206223015,0.47357103694057984,0.8943098485367692,0.8952093756425193,0.6535385682955246
EOS-4-01080,CCc1nc(-c2nnc3cncc(Oc4ccc(C(F)(F)F)cn4)n23)ccc1-c1ccncc1,KPWYDYIKJPBLOW-UHFFFAOYSA-N,4,1,0.354,27,412,463.423,5.017,5,0.362,0.7,0.997,0.6410972517305188,0.627218833527517,0.9190939620313893,0.8267339455828936,0.7535359982180797
EOS-4-01081,Fc1ccncc1COc1cncc2nnc(-c3cncc(-c4ncc(Cl)cn4)c3)n12,ZWMVTWDPYIYBTN-UHFFFAOYSA-N,4,1,0.459,2,491,434.822,3.41,5,0.414,0.67,1.0,0.8302121170584607,0.7556370365293674,0.6087828113220478,0.6375248440819683,0.708039202247961
EOS-4-01082,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)c(F)n2)nc1,GPWHBJPNESJXCP-UHFFFAOYSA-N,4,1,0.511,58,262,450.384,3.077,5,0.364,0.69,1.0,0.9160612706462888,0.9201219930093893,0.5173908573778356,0.5185216914536358,0.7180239531217875
EOS-4-01084,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,DGLOTBLJJWTCFX-UHFFFAOYSA-N,4,1,0.495,58,262,450.384,3.077,5,0.364,0.64,1.0,0.8716503323966829,0.9124631622232884,0.5803663217051607,0.5583321910766911,0.7307030018504558
EOS-4-01085,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(Cl)nc3)n12,IDWOPJUFAVDISE-UHFFFAOYSA-N,4,1,0.618,90,281,404.232,4.254,4,0.466,0.72,1.0,0.944863271879926,0.9793365773421973,0.9181001987526557,0.9482729079569597,0.9476432389829347
EOS-4-01087,Cc1cnc(-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)nc1-c1cncc(F)c1,NSLQPNWEPYNCOS-UHFFFAOYSA-N,4,1,0.341,96,315,433.397,4.695,5,0.409,0.75,0.997,0.3835240901925845,0.5466554725515729,0.8608902748269481,0.8550990336508807,0.6615422178054966
EOS-4-01088,N#Cc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccncc1,BMWLZWMZYRSTPX-UHFFFAOYSA-N,4,1,0.549,35,201,437.438,3.881,5,0.372,0.72,1.0,0.9482215064080598,0.9410509903365089,0.8231615379343431,0.7929202933315057,0.8763385820026044
EOS-4-01089,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(-c3ncc(Br)cn3)n12,PIPOTBUQAGEERA-UHFFFAOYSA-N,4,1,0.412,96,558,447.271,4.817,5,0.397,0.78,1.0,0.3534541840860805,0.5096891919676513,0.7304674114179974,0.8209255705571928,0.6036340895072305
EOS-4-01090,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ccccc1F,MSCZOZUFPPKEEL-UHFFFAOYSA-N,4,1,0.396,57,189,445.429,4.719,5,0.352,0.79,1.0,0.6715355356041396,0.7192533068329793,0.9181087656774725,0.877193132753067,0.7965226852169146
EOS-4-01091,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ccn2)c1,ZFKQTRQBXKRBFN-UHFFFAOYSA-N,4,1,0.519,24,912,417.379,3.501,5,0.432,0.73,1.0,0.7932801041738058,0.6517630731272702,0.778236584195737,0.7645295044890686,0.7469523164964704
EOS-4-01092,Fc1cccc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c1,DVIGAEFLADHEKL-UHFFFAOYSA-N,4,1,0.517,11,503,430.418,4.148,5,0.403,0.8,1.0,0.7294479473648139,0.6857137961757248,0.8286786375162771,0.8427797957645123,0.771655044205332
EOS-4-01093,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)ccc1Cl,TVZQPKHJCVLCMA-UHFFFAOYSA-N,4,1,0.38,96,274,428.818,3.974,5,0.428,0.74,1.0,0.3766448495648002,0.622704064149133,0.8668271537248989,0.8857686244945514,0.6879861729833459
EOS-4-01094,Fc1nc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cnc1CN1CCCC1,SCKKJKSXTMQUOQ-UHFFFAOYSA-N,4,1,0.5,68,455,458.423,3.321,5,0.424,0.72,1.0,0.27234253992186963,0.4161212391200055,0.11268076211363169,0.27899904050442054,0.2700358954149818
EOS-4-01095,Fc1cc(-c2cccc(C(F)F)n2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,XEWDUFHUQDUYGN-UHFFFAOYSA-N,4,1,0.467,34,799,483.841,4.952,5,0.337,0.64,1.0,0.8227588924679597,0.9104670687410047,0.9035963950380371,0.8909344801590021,0.8819392091015009
EOS-4-01096,Fc1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)ccn1,MLGQEVWIWSXOSR-UHFFFAOYSA-N,4,1,0.483,97,390,451.824,4.154,5,0.371,0.6,1.0,0.7352134877664314,0.9182287026249057,0.8231701048591598,0.8389675142210952,0.828894952367898
EOS-4-01097,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)ccc1Cl,IWVXXIHKCNIVAC-UHFFFAOYSA-N,4,1,0.35,96,216,428.818,3.974,5,0.428,0.85,1.0,0.43240696319649097,0.6272274004523336,0.8176101706531423,0.8567781509149476,0.6835056713042286
EOS-4-01098,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)nc1F,UQJQQINKBXRJJS-UHFFFAOYSA-N,4,1,0.56,75,583,431.406,3.543,5,0.38,0.67,1.0,0.8977537523130698,0.7556456034541841,0.6779435953670071,0.6463059420190529,0.7444122232883285
EOS-4-01099,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)c1F,LIRHMHWVRSLQEI-UHFFFAOYSA-N,4,1,0.494,65,262,450.384,3.077,5,0.364,0.58,1.0,0.9007693098485368,0.8947124940031527,0.5931995750805291,0.5898670413268453,0.744637105064766
EOS-4-01100,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)nc1,YAFOZOHGHMVQNG-UHFFFAOYSA-N,4,1,0.556,73,795,450.384,3.077,5,0.389,0.66,1.0,0.9567712973750943,0.9437581385785758,0.5029984236858337,0.5285364265643204,0.7330160715509562
EOS-4-01102,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,NESRDHFSQHCKFX-UHFFFAOYSA-N,4,1,0.517,58,698,465.851,4.196,5,0.347,0.59,1.0,0.8960917688986362,0.9353111507093413,0.7279401685970804,0.7491261736686999,0.8271173154684395
EOS-4-01104,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccccc1F,WBHBTUJCSFEAHK-UHFFFAOYSA-N,4,1,0.581,91,955,459.456,4.762,5,0.327,0.78,1.0,0.969878692344596,0.9165495853608389,0.8968799259817696,0.851869302994997,0.9087943766705503
EOS-4-01105,N#Cc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)c(F)c1,GJUVVXMLVPLAMU-UHFFFAOYSA-N,4,1,0.602,35,234,437.438,3.881,5,0.397,0.78,1.0,0.9392091015009252,0.9504660407100267,0.7666626687684189,0.7437547118086492,0.850023130697005
EOS-4-01106,Fc1cc(CCOc2cncc3nnc(-c4cnc(Cl)nc4)n23)ccc1-c1ncc(Cl)cn1,FSTCYYCLWVOKBY-UHFFFAOYSA-N,4,1,0.59,73,263,483.294,4.106,5,0.333,0.66,1.0,0.9400486601329586,0.962810979370845,0.6561236378589541,0.7092471386471112,0.8170576040024672
EOS-4-01108,Fc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cccnn1,BCUSOBNWIRDCBE-UHFFFAOYSA-N,4,1,0.696,91,660,446.873,4.662,5,0.377,0.77,1.0,0.9635391679802618,0.9788996641765472,0.8520063737920636,0.879977383318484,0.9186056473168391
EOS-4-01109,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5nccc(F)c5F)n34)c2)nc1,KBTRDRSLGDCRKG-UHFFFAOYSA-N,4,1,0.471,2,491,436.357,3.035,5,0.414,0.61,1.0,0.6957028305119595,0.7379549037077651,0.6669093962031389,0.660458501816188,0.6902564080597628
EOS-4-01110,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c(F)n2)nc1,HTHWOCSDINOJGZ-UHFFFAOYSA-N,4,1,0.529,58,262,450.384,3.077,5,0.364,0.66,1.0,0.9056867246933041,0.9219553149201563,0.5606795284764581,0.5583407580015077,0.7366655815228565
EOS-4-01112,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4cnc(Cl)nc4F)n23)cn1,ZHJDFCKZCWSYDJ-UHFFFAOYSA-N,4,1,0.329,68,976,406.759,2.866,4,0.38,0.6,1.0,0.4163868137893222,0.4782057432663971,0.6087913782468645,0.49820094578849977,0.5003962202727709
EOS-4-01115,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,ZWPYIAKOBMUJKX-UHFFFAOYSA-N,4,1,0.488,24,912,417.379,3.501,5,0.404,0.65,1.0,0.8581402919607978,0.6565005825508875,0.6996007813035433,0.6780035638407237,0.7230613049139881
EOS-4-01116,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4F)n23)nc1,NQXJFHCEPBNVKS-UHFFFAOYSA-N,4,1,0.562,73,795,450.384,3.077,5,0.389,0.66,1.0,0.9294256733602906,0.9381468028236584,0.49953738605989995,0.5250582550887534,0.7230420293331505
EOS-4-01117,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2F)cs1,GDFYLPLUINPLPC-UHFFFAOYSA-N,4,1,0.542,57,146,453.449,5.22,5,0.365,0.72,1.0,0.92546775409499,0.8789664861901172,0.9307278459324241,0.9194966074977726,0.913664673428826
EOS-4-01118,Fc1ncc(F)c(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)n1,RCPJJZQAMZINRE-UHFFFAOYSA-N,4,1,0.494,55,390,452.812,3.549,5,0.294,0.68,1.0,0.7620279624426016,0.9182372695497224,0.6807449797820574,0.6839661435131246,0.7612440888218766
EOS-4-01119,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)cn1,YWXPOQCIZNKSBK-UHFFFAOYSA-N,4,1,0.452,13,724,451.824,4.676,5,0.392,0.68,1.0,0.8044256733602906,0.8558786238091974,0.8286872044410938,0.8149458570351586,0.8259843396614351
EOS-4-01120,Fc1cc(NCc2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)ccc1-c1csnn1,CPJDNBPSFKBBEF-UHFFFAOYSA-N,4,1,0.343,45,471,489.433,5.219,5,0.341,0.67,1.0,0.24032794188198203,0.38768761565348503,0.9863614556918648,0.9710437941196628,0.6463552018367487
EOS-4-01121,NC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)cc1F,NBVIXRXRWYJCCK-UHFFFAOYSA-N,4,1,0.48,48,678,428.374,3.243,4,0.468,0.87,1.0,0.6777465560962237,0.8215680899184429,0.8668357206497156,0.7836251799054211,0.7874438866424508
EOS-4-01122,Fc1cc(CCOc2cncc3nnc(-c4cnc(Cl)nc4)n23)ccc1Cl,YOUWLWDBDVRAKH-UHFFFAOYSA-N,4,1,0.743,90,811,405.22,3.649,4,0.472,0.73,1.0,0.9241912822973065,0.9493009389349599,0.8421287094784456,0.8813737920636009,0.8992486806935782
EOS-4-01123,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnco5)c(F)c4F)n23)n1,FJBYIOXRBZRFHL-UHFFFAOYSA-N,4,1,0.524,97,31,424.342,3.838,5,0.396,0.71,1.0,0.7904358851346721,0.7812007401823041,0.882710232335001,0.8585857720512645,0.8282331574258104
EOS-4-01124,Fc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1ncc(Cl)cn1,MJSBVEBEUSQTMZ-UHFFFAOYSA-N,4,1,0.578,73,361,448.849,3.452,5,0.389,0.71,1.0,0.9743077924748133,0.9593842094441779,0.5374888629977383,0.5742838050853266,0.7613661675005141
EOS-4-01125,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnc(C(F)F)cn4)n23)nc1,ZMSPKRSOWTYSIX-UHFFFAOYSA-N,4,1,0.306,50,845,421.346,3.177,5,0.435,0.62,0.784,0.27739702556370366,0.4427900760742924,0.6293605647316839,0.6256853539853334,0.49380825508875337
EOS-4-01126,CC(F)(c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)c(Cl)c4)n23)nn1)C1CC1,OKZKDGIGXVDLOV-UHFFFAOYSA-N,4,1,0.363,66,455,459.863,4.753,5,0.414,0.63,1.0,0.33488965800836135,0.47821431019121374,0.6561322047837708,0.7742272633815366,0.5608658590912206
EOS-4-01128,Fc1cc(-c2ncccc2F)cc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)c1,LVWNQEFJZIJCIF-UHFFFAOYSA-N,4,1,0.552,59,439,451.824,4.154,5,0.371,0.67,1.0,0.6925245014049757,0.7640240559248852,0.8305804948255774,0.8534284833116305,0.7851393838667672
EOS-4-01129,N#Cc1ccc(-c2ncncc2-c2nnc3cncc(OCc4cc(F)ncc4F)n23)cn1,MBQGBAGYFBVFRV-UHFFFAOYSA-N,4,1,0.423,55,879,443.377,2.767,5,0.377,0.56,1.0,0.8148002193132753,0.7283513809882805,0.7173428825988624,0.6808991844287574,0.7353484168322938
EOS-4-01130,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ccsc4)nc3)n12,SMQMGRCMTCNBBV-UHFFFAOYSA-N,4,1,0.506,59,332,437.887,5.286,5,0.374,0.77,1.0,0.8628349667603317,0.8558871907340141,0.8837982317867178,0.9040590089781372,0.8766448495648002
EOS-4-01131,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(F)c(F)c5)cn4)n23)cc1F,PALNXGAJJHHOAP-UHFFFAOYSA-N,4,1,0.389,45,586,462.391,4.162,5,0.42,0.8,1.0,0.6985984510999932,0.6954115550681927,0.906903228017271,0.8883644027140017,0.7973194092248647
EOS-4-01132,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c1,JDHCDFJNVRTJJY-UHFFFAOYSA-N,4,1,0.714,90,281,403.339,4.024,4,0.455,0.71,1.0,0.957653690631211,0.9749674456856967,0.9657922692070454,0.9503461037625934,0.9621898773216366
EOS-4-01133,Fc1cc(-c2ccncn2)cc(-c2nnc3cncc(COc4nc(Cl)ncc4Cl)n23)c1,YVBUTOKZMUADLQ-UHFFFAOYSA-N,4,1,0.347,73,767,469.267,4.063,5,0.355,0.68,1.0,0.6684086080460558,0.6857223631005415,0.6697107806181893,0.712014255362895,0.6839640017819204
EOS-4-01134,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)cc1F,DDEXKCWYJONXIK-UHFFFAOYSA-N,4,1,0.512,59,445,458.4,4.445,5,0.22,0.68,0.999,0.8469690219998629,0.8558957576588307,0.9256390925913234,0.9174319786169557,0.8864839627167431
EOS-4-01135,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cc2)ncn1,AQWFFFWUPJQTQA-UHFFFAOYSA-N,4,1,0.489,11,490,449.396,3.682,5,0.365,0.63,1.0,0.9536786375162771,0.9460712082790761,0.795310465355356,0.7836337468302378,0.8696735144952368
EOS-4-01136,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)c(Cl)cn1,YQUABHQUWAHEQT-UHFFFAOYSA-N,4,1,0.455,73,930,469.267,4.063,5,0.355,0.73,1.0,0.8814423274621342,0.9104756356658213,0.6916078404495922,0.7491347405935166,0.8081651360427661
EOS-4-01137,Cc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ccc1-c1ncccc1F,KACLZDRIRRBXKV-UHFFFAOYSA-N,4,1,0.471,59,16,448.408,4.553,5,0.393,0.76,1.0,0.807072853128641,0.7936741827153725,0.8579004180659311,0.8551076005756973,0.8284387636214104
EOS-4-01138,Fc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1-c1ccnnc1,VMWLYZZYOXFUHZ-UHFFFAOYSA-N,4,1,0.494,34,526,451.824,4.154,5,0.396,0.7,1.0,0.7791018436022206,0.8677352477554657,0.8851089712836681,0.9016088684805702,0.8583887327804811
EOS-4-01139,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,CBFGBHTVKKQPOQ-UHFFFAOYSA-N,4,1,0.59,35,325,447.861,4.057,5,0.362,0.71,1.0,0.962245562332945,0.9628195462956617,0.6860564731683915,0.697955931738743,0.8272693783839352
EOS-4-01140,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nn4)n23)c1,HLVKKXJHNRRVDM-UHFFFAOYSA-N,4,1,0.464,54,16,435.369,3.64,5,0.416,0.76,0.987,0.7502141731204167,0.7101380988280447,0.7713316427935029,0.8104225207319581,0.7605266088684806
EOS-4-01142,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cc4)n23)c1Cl,BUPXVTSDTSKHPX-UHFFFAOYSA-N,4,1,0.541,35,201,447.861,4.057,5,0.362,0.68,1.0,0.954561030772394,0.9513827016654102,0.7666712356932356,0.7645380714138853,0.8592882598862313
EOS-4-01143,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccc2F)cn1,GFWPMGBSDOGCND-UHFFFAOYSA-N,4,1,0.561,59,623,436.397,4.188,5,0.413,0.71,1.0,0.8201031457747927,0.8176101706531423,0.9552292509080941,0.9420704543896923,0.8837532554314304
EOS-4-01144,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)c1,MSARHEAEBVVCRH-UHFFFAOYSA-N,4,1,0.512,23,627,424.745,3.413,4,0.361,0.65,1.0,0.8493506270988965,0.8993129326297032,0.9013689945857035,0.9326554040161743,0.8956719895826194
EOS-4-01145,Fc1cnc(F)c(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)c1,FKJBIPCQICGDOW-UHFFFAOYSA-N,4,1,0.467,73,817,436.357,3.035,5,0.387,0.68,1.0,0.6382530326913851,0.7192618737577959,0.6887379206360085,0.6809077513535742,0.681790144609691
EOS-4-01146,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ncccc5F)c4)n23)ccn1,JPCIEZRVQGDFIX-UHFFFAOYSA-N,4,1,0.553,75,583,431.406,3.543,5,0.38,0.71,1.0,0.8777671167157837,0.7685131245288191,0.6642108148858885,0.6519429785484202,0.7406085086697278
EOS-4-01147,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)nnc1F,OMBJCAQNOUFOIC-UHFFFAOYSA-N,4,1,0.443,13,724,469.814,4.815,5,0.373,0.66,0.982,0.8173445959838257,0.8841666095538345,0.8814337605373175,0.8799859502433006,0.8657327290795696
EOS-4-01148,Fc1cnc(-c2nc(-c3ncc(Cl)cn3)ccc2-c2nnc3cncc(F)n23)nc1,BHHQLBOOTIFONZ-UHFFFAOYSA-N,4,1,0.516,73,775,423.774,3.032,5,0.435,0.71,1.0,0.38118531971763414,0.5372832568021383,0.282108834212871,0.4332807895277911,0.4084645500651086
EOS-4-01149,N#Cc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1cscn1,OQWJKDGKHNSHJV-UHFFFAOYSA-N,4,1,0.506,43,332,462.897,5.158,5,0.358,0.68,1.0,0.9228548420259064,0.920130559934206,0.9314731683914742,0.937101637996025,0.9278900520869029
EOS-4-01150,Fc1cc(-c2nc(-c3ncc(Cl)cn3)ccc2-c2nnc3cncc(F)n23)ccn1,BWZATLYNNYUAMK-UHFFFAOYSA-N,4,1,0.457,73,775,422.786,3.637,5,0.41,0.75,0.975,0.362697895963265,0.5009423617298334,0.5867658145432115,0.6894918100198753,0.5349744705640462
EOS-4-01151,Cc1ccnc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)n1,XNZBIHXKOJSKRV-UHFFFAOYSA-N,4,1,0.432,13,724,451.824,4.676,5,0.392,0.76,1.0,0.8227674593927764,0.8559043245836474,0.7870262490576383,0.7765746007813036,0.8105681584538414
EOS-4-01152,N#Cc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)cn2)c1F,YBQMYPYXFXOKLA-UHFFFAOYSA-N,4,1,0.333,39,845,428.818,3.974,5,0.428,0.71,1.0,0.36270646288808167,0.5466640394763895,0.8231786717839764,0.873115276540333,0.6514161126721951
EOS-4-01153,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)c1,ALRKRXPAMDIPIU-UHFFFAOYSA-N,4,1,0.541,24,28,435.369,3.64,5,0.389,0.7,1.0,0.6654273182098553,0.8215766568432595,0.7252844219039134,0.7225430059625797,0.733707850729902
EOS-4-01154,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3cc(-c4cccnn4)ncn3)n12,FDLBEJYNRJQTMQ-UHFFFAOYSA-N,4,1,0.348,13,971,438.785,3.762,5,0.417,0.61,0.793,0.6925330683297923,0.6517716400520869,0.7304759783428141,0.7695411555068192,0.7110804605578781
EOS-4-01155,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)cc1F,GTJIIRIUQGKVTG-UHFFFAOYSA-N,4,1,0.518,27,52,470.39,3.719,5,0.361,0.69,1.0,0.6684171749708725,0.7685216914536358,0.8990473579603866,0.7859553834555548,0.7804854019601124
EOS-4-01156,O=C(NC1CC1)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nc1,SJZIYNOUVCRTHG-UHFFFAOYSA-N,4,1,0.406,66,264,438.413,3.688,5,0.514,0.84,1.0,0.3880988280446851,0.40205434857103695,0.8212768144746762,0.7836423137550544,0.5987680762113632
EOS-4-01157,N#Cc1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1-c1cscn1,MVQNEGOLCUOPQW-UHFFFAOYSA-N,4,1,0.517,43,521,446.442,4.644,5,0.391,0.73,1.0,0.9317473099856076,0.870690836817216,0.9399287231855253,0.9289716263450072,0.917834624083339
EOS-4-01158,Fc1cc(-c2cc(F)cnn2)cc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)c1,OTMJBOJIOXXVQE-UHFFFAOYSA-N,4,1,0.545,37,265,465.851,4.196,5,0.371,0.56,1.0,0.8628435336851484,0.8559128915084642,0.8467976835035296,0.8799945171681174,0.8613871564663149
EOS-4-01160,Cc1ccc(-c2cncc(-c3nnc4cncc(Oc5ccc(F)c(F)c5)n34)c2)cn1,FZJRCDDNJSBDRW-UHFFFAOYSA-N,4,1,0.603,13,995,416.391,4.627,5,0.425,0.74,1.0,0.8070814200534576,0.7425724761839491,0.9106384072373381,0.8883729696388184,0.8371663182783908
EOS-4-01161,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)cc1F,RGPKJFMZMFKOPS-UHFFFAOYSA-N,4,1,0.518,36,52,471.378,3.114,5,0.36,0.68,1.0,0.64988691659242,0.7812093071071208,0.82494345829621,0.6925844698786924,0.7371560379686108
EOS-4-01162,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1Cl,RAIFNOBCANZHEO-UHFFFAOYSA-N,4,1,0.645,90,636,411.252,3.986,4,0.462,0.76,1.0,0.9698872592694127,0.9810242615310808,0.9013775615105202,0.9238486053046399,0.9440344219039134
EOS-4-01163,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cnc(Cl)nc3)n12,VOHSCVHDIIJLBM-UHFFFAOYSA-N,4,1,0.623,90,811,405.22,3.649,4,0.472,0.73,1.0,0.8280532520046604,0.935319717634158,0.8267168117332603,0.8757024878349667,0.8664480673017614
EOS-4-01164,Oc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccccn1,PDOTVNKCMBBILO-UHFFFAOYSA-N,4,1,0.523,11,201,428.427,3.715,5,0.412,0.57,1.0,0.930599342060174,0.8465492426838462,0.6860650400932081,0.6284781714755672,0.7729229490781988
EOS-4-01165,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cccnc5F)n34)ccn2)c1,XVDLSTZOJUYKTC-UHFFFAOYSA-N,4,1,0.483,75,183,417.379,3.501,5,0.404,0.78,1.0,0.8351466657528613,0.6757847303132067,0.7735676101706531,0.7491433075183332,0.7584105784387636
EOS-4-01166,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)cn2)nc1,XNZCEAKVGZFGMO-UHFFFAOYSA-N,4,1,0.527,65,263,466.839,3.591,5,0.374,0.66,1.0,0.922863408950723,0.9381553697484751,0.6322733191693509,0.6662411760674388,0.789883318483997
EOS-4-01167,Cc1ccc(-c2nnc3cncc(OCCc4ccc(C#N)c(Cl)c4)n23)cc1F,RNJMIBDPHBDZHX-UHFFFAOYSA-N,4,1,0.693,48,721,407.836,4.385,4,0.49,0.81,1.0,0.9921698307175656,0.9933692001918991,0.9594870125419779,0.9541755191556439,0.9748003906517717
EOS-4-01168,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(C(F)F)s5)cc4)n23)ccn1,BALKMOHBQZVPLA-UHFFFAOYSA-N,4,1,0.547,11,201,467.476,5.613,5,0.291,0.67,1.0,0.9622541292577617,0.9583904461654444,0.9378726612295251,0.9052669453772874,0.9409460455075046
EOS-4-01169,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)c(F)c1F,UMWNPPAEQXWZNA-UHFFFAOYSA-N,4,1,0.442,54,411,436.357,3.035,5,0.387,0.68,0.999,0.744251593448016,0.7055719279007607,0.7642382290453019,0.7540864231375506,0.7420370433829073
EOS-4-01170,NC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4Cl)n23)cc1F,CNOVRJOOANCKSI-UHFFFAOYSA-N,4,1,0.659,23,721,446.269,3.958,4,0.484,0.83,1.0,0.8581488588856144,0.6087399766979645,0.8787865807689672,0.897976492358303,0.8109129771777123
EOS-4-01171,CN(C)Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1F,GPUMSDANYKLLKS-UHFFFAOYSA-N,4,1,0.775,48,231,425.895,4.267,4,0.442,0.88,1.0,0.8737063943526832,0.9256219587416901,0.8608988417517648,0.8209341374820095,0.870290333082037
EOS-4-01172,OCc1cc(-c2nnc3cncc(OCCc4cc(Cl)c(Cl)cn4)n23)ccc1Cl,QRYCZWINZQSMPX-UHFFFAOYSA-N,4,1,0.542,90,281,450.713,4.26,4,0.472,0.73,1.0,0.8253975053114934,0.9104842025906381,0.9154530189843054,0.9453173188952094,0.8991630114454117
EOS-4-01174,Fc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)n1,KIDOMJDVWFCWTF-UHFFFAOYSA-N,4,1,0.452,73,525,452.812,3.549,5,0.294,0.66,1.0,0.7620365293674183,0.832782194503461,0.6669179631279556,0.6809163182783908,0.7356632513193064
EOS-4-01175,Fc1cccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)c1F,WKDWAZCRVTXOCT-UHFFFAOYSA-N,4,1,0.512,24,910,456.865,4.82,5,0.353,0.62,0.984,0.8557758207113975,0.8327907614282777,0.8800716194914674,0.892382290453019,0.8652551230210404
EOS-4-01176,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)cc1F,QYMANHXFDDACQK-UHFFFAOYSA-N,4,1,0.667,59,294,440.41,4.306,5,0.379,0.69,1.0,0.9007778767733534,0.8867880885477349,0.8668442875745322,0.8585943389760812,0.8782511479679254
EOS-4-01177,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)n4)n23)cnc1Cl,QLDBMDGUNHNLHN-UHFFFAOYSA-N,4,1,0.541,90,385,423.21,3.788,4,0.455,0.69,0.997,0.8889726543759852,0.9524792680419437,0.8562984031252142,0.9005380028784867,0.8995720821054075
EOS-4-01178,COc1cc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)ccc1-c1ccncc1,NXQCBANITSYEGZ-UHFFFAOYSA-N,4,1,0.506,97,103,462.872,4.628,5,0.363,0.69,1.0,0.8944811870331026,0.8360633267082448,0.8814423274621342,0.844647385374546,0.8641585566445069
EOS-4-01179,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1Oc1ncccn1,BSUIWXDLTUOEDB-UHFFFAOYSA-N,4,1,0.533,35,161,454.425,3.401,5,0.364,0.62,1.0,0.8628521006099651,0.8360718936330614,0.6669265300527722,0.5549396888492907,0.7301975532862723
EOS-4-01180,N#Cc1cc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)ccc1Cl,VIEVIAWOZWVRQL-UHFFFAOYSA-N,4,1,0.341,22,216,428.818,3.974,5,0.428,0.75,1.0,0.37890651771640055,0.6136402576930985,0.7593722157494346,0.8209427044068262,0.6432154238914399
EOS-4-01181,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)nn1,HEPIRPMIRYIPKN-UHFFFAOYSA-N,4,1,0.451,53,52,485.817,3.685,5,0.367,0.7,1.0,0.6654358851346721,0.817618737577959,0.8193578233157426,0.717222945651429,0.7549088479199506
EOS-4-01182,FC(F)c1ccc(-c2nnc3cncc(-c4cc(OCc5ccccc5)nc(C(F)F)n4)n23)nc1,QGLXXDKNDMETQQ-UHFFFAOYSA-N,4,1,0.344,27,315,481.413,5.098,5,0.299,0.68,0.603,0.5486515660338565,0.5745408128298266,0.8873877732849017,0.822801727092043,0.708345469810157
EOS-4-01183,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,YCHIHTDMLYIKLI-UHFFFAOYSA-N,4,1,0.465,55,183,417.379,3.501,5,0.404,0.7,1.0,0.784841683229388,0.7379634706325817,0.7642467959701186,0.7362072510451648,0.7558148002193134
EOS-4-01184,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccccn1,ZCBKCYJNUYLISX-UHFFFAOYSA-N,4,1,0.534,11,201,437.438,3.881,5,0.372,0.69,1.0,0.9679082996367624,0.9652525529435954,0.7911983414433555,0.7540949900623672,0.8696135460215202
EOS-4-01185,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)c1F,QAZZIBWURSNIOB-UHFFFAOYSA-N,4,1,0.562,43,178,440.41,4.306,5,0.379,0.76,1.0,0.787651634569255,0.8020954698101569,0.9132855870056884,0.9085652114317044,0.8528994757042012
EOS-4-01186,Fc1ncc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ncncn5)c(F)c4)n23)n1,MOOAUNLICAWCHF-UHFFFAOYSA-N,4,1,0.495,37,610,451.372,2.472,5,0.359,0.62,1.0,0.952213693372627,0.9275238160509903,0.4581762730450278,0.4552463847577274,0.698290041806593
EOS-4-01187,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)cnc1Cl,VKGCWNBHASFYHG-UHFFFAOYSA-N,4,1,0.466,55,930,469.267,4.063,5,0.355,0.67,0.999,0.9073230073332876,0.892305188129669,0.6833236241518744,0.7305787814406141,0.8033826502638612
EOS-4-01188,Fc1cccc(CCOc2cncc3nnc(-c4cnc(Cl)nc4)n23)c1Cl,VJYXLSKOVNGLOK-UHFFFAOYSA-N,4,1,0.623,90,811,405.22,3.649,4,0.472,0.74,1.0,0.8280618189294771,0.9323127270235076,0.8267253786580769,0.8785210060996504,0.8664052326776781
EOS-4-01189,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)cn1,YSPYFCJHZIJUFJ-UHFFFAOYSA-N,4,1,0.421,50,243,420.358,3.782,5,0.408,0.7,0.963,0.3124785826879583,0.5417723254060722,0.8388989788225618,0.8016928243437735,0.6237106778150915
EOS-4-01190,OCc1cnc(-c2nnc3cncc(Oc4c(F)c(F)cc(Cl)c4F)n23)cn1,KOQLBQQNJPLXPG-UHFFFAOYSA-N,4,1,0.384,90,244,408.727,2.937,4,0.518,0.66,0.991,0.7294565142896305,0.7897333972997053,0.8968884929065862,0.8938129668974025,0.8274728428483312
EOS-4-01191,Fc1cncc(COc2cncc3nnc(-c4ccc(F)c(-c5ccnnc5)c4)n23)c1,LFRMOSXJCJLNHQ-UHFFFAOYSA-N,4,1,0.549,16,202,417.379,3.501,5,0.432,0.69,1.0,0.8814508943869509,0.8021040367349737,0.8609074086765814,0.8500959495579467,0.8486395723391131
EOS-4-01192,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)cc2)cs1,IWNUTAGSWZQWIF-UHFFFAOYSA-N,4,1,0.568,57,178,453.449,5.22,5,0.342,0.7,1.0,0.9361678431910082,0.8923137550544856,0.9371444726201082,0.915281680487972,0.9202269378383935
EOS-4-01193,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4csc(Cl)n4)nc3)n12,MZWFWLQOEIFGKD-UHFFFAOYSA-N,4,1,0.451,13,724,477.283,5.687,5,0.331,0.69,1.0,0.7820659995887876,0.8762336371736001,0.9046672606401206,0.9258618326365567,0.8722071825097663
EOS-4-01194,Clc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccccn1,NTWCAIPPNKPQCI-UHFFFAOYSA-N,4,1,0.63,11,201,428.883,4.523,5,0.395,0.74,1.0,0.9529247481324103,0.9410595572613255,0.7046295661709273,0.7362158179699815,0.8337074223836611
EOS-4-01195,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cncnc5)nn4)n23)cc1F,XSIHMCISZOWHTK-UHFFFAOYSA-N,4,1,0.443,54,445,436.357,3.035,5,0.387,0.61,0.999,0.7560996504694675,0.7101466657528613,0.8159481872387088,0.8060705229250908,0.772066256596532
EOS-4-01197,N#Cc1cc(-c2nnc3cncc(Cc4nnc5cc(F)ccc5n4)n23)ccc1Cl,JNSSULNPHZXXBB-UHFFFAOYSA-N,4,1,0.374,22,784,416.807,3.384,5,0.443,0.8,0.999,0.5124477417586183,0.7055804948255774,0.6753478171475568,0.8189380439997258,0.6780785244328695
EOS-4-01198,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccc1Cl,HHIXLHSYGHXESR-UHFFFAOYSA-N,4,1,0.557,90,555,398.76,3.569,4,0.488,0.62,1.0,0.9583390446165444,0.972251730518813,0.9678311973134124,0.9685679528476459,0.9667474813241038
EOS-4-01199,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)c1F,GHABLZIGULUTOS-UHFFFAOYSA-N,4,1,0.512,24,910,440.41,4.306,5,0.379,0.6,0.996,0.8469775889246796,0.8360804605578781,0.8563069700500309,0.8501045164827633,0.8473673840038379
EOS-4-01200,N#Cc1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1-c1cscn1,MWDREMJWTGXPCA-UHFFFAOYSA-N,4,1,0.518,43,332,462.897,5.158,5,0.358,0.77,1.0,0.9381553697484751,0.9182458364745391,0.9314817353162909,0.9379069289287917,0.9314474676170241
EOS-4-01201,COc1cc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cn4)n23)ccc1-c1cnco1,DRPCABHYNUHYJC-UHFFFAOYSA-N,4,1,0.57,27,83,484.394,4.328,5,0.333,0.63,1.0,0.7763004591871702,0.7597748612158179,0.9494037420327599,0.8368514837913782,0.8305826365567816
EOS-4-01202,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)c(F)n2)nc1,BVGMMVBTHZZCPR-UHFFFAOYSA-N,4,1,0.506,73,263,466.839,3.591,5,0.35,0.68,1.0,0.9040675759029538,0.9323212939483243,0.5708827359331095,0.6256939209101501,0.7582413816736344
EOS-4-01204,N#Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(F)c(-c5cscn5)c4)n23)c1,OHAGQSNBSOGARS-UHFFFAOYSA-N,4,1,0.573,43,709,446.442,4.644,5,0.391,0.75,1.0,0.939217668425742,0.8970598314029196,0.9406140771708588,0.9344458913028579,0.9278343670755945
EOS-4-01205,Fc1cccc(CCc2cnc(-c3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nn2)c1,BXJHGSFOYUFUQI-UHFFFAOYSA-N,4,1,0.443,45,316,449.852,4.36,5,0.396,0.8,1.0,0.5174165581522857,0.7854499348913714,0.7279487355218971,0.8518778699198136,0.7206732746213419
EOS-4-01206,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc(Cl)c1Cl,SGONZFGZNHYFRT-UHFFFAOYSA-N,4,1,0.554,90,281,445.697,4.64,4,0.444,0.66,1.0,0.9508087177026935,0.9628281132204783,0.9321756562264409,0.9585789185114112,0.9510978514152559
EOS-4-01207,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(C(F)(F)c3cccnc3)n12,WEDBGKUCJFVQJH-UHFFFAOYSA-N,4,1,0.347,14,487,425.399,3.984,5,0.433,0.59,1.0,0.31747309985607564,0.4693389760811459,0.9579963676238777,0.9311390583236242,0.6689868754711809
EOS-4-01208,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cc2F)nc1,LZAITXSDRLCJBB-UHFFFAOYSA-N,4,1,0.534,73,141,449.396,3.682,5,0.391,0.7,1.0,0.94999485984511,0.9381639366732918,0.6941950517442259,0.7120228222877116,0.8235941676375849
EOS-4-01209,N#Cc1nc(COc2cncc3nnc(-c4cc(F)c(-c5ccc(F)cn5)cn4)n23)ccc1F,NFFOIGJVKCLNBY-UHFFFAOYSA-N,4,1,0.411,46,267,460.379,3.511,5,0.391,0.62,1.0,0.7648978822561853,0.7556541703790007,0.8193663902405592,0.8080837502570077,0.7870005482831881
EOS-4-01210,Fc1cnc(COc2cncc3nnc(-c4cnc(F)c(-c5cnccn5)c4)n23)cc1F,GELCRUJOKUWNPN-UHFFFAOYSA-N,4,1,0.472,2,970,436.357,3.035,5,0.387,0.62,1.0,0.6957113974367761,0.7512679048728669,0.7689843053937359,0.7413302720855321,0.7393234699472278
EOS-4-01211,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)ccc1-c1cccnc1,YFMMDXFOYQMBPN-UHFFFAOYSA-N,4,1,0.489,97,103,446.417,4.114,5,0.363,0.71,1.0,0.9349684737166747,0.7897419642245219,0.8609159756013981,0.7742358303063532,0.839965560962237
EOS-4-01212,Fc1cc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1OC(F)F,OOJSMMIZSOKVBT-UHFFFAOYSA-N,4,1,0.619,90,305,402.336,2.943,4,0.47,0.7,1.0,0.9279864299910904,0.9689448975395792,0.8943184154615859,0.8483054622712631,0.9098888013158797
EOS-4-01213,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)cn2)cn1,WUDQEYMTKQMLPX-UHFFFAOYSA-N,4,1,0.5,59,445,449.396,3.948,5,0.375,0.64,1.0,0.8671184291686657,0.8923223219793023,0.8668528544993489,0.8247549859502433,0.86276214789939
EOS-4-01214,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1Br,DMHSXEFDCDWKFH-UHFFFAOYSA-N,4,1,0.628,90,636,460.719,3.716,4,0.442,0.78,1.0,0.8870365293674183,0.8762422040984168,0.8159567541635254,0.8080923171818244,0.8468319512027962
EOS-4-01215,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4cc(Cl)ccn4)c3)n12,ZIDYRXJDOSKMHD-UHFFFAOYSA-N,4,1,0.554,75,583,447.861,4.057,5,0.362,0.64,1.0,0.9040761428277705,0.8465578096086629,0.6669350969775889,0.7008258515523268,0.7795987252415874
EOS-4-01216,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)c1,YEJXGKIMOXHVFB-UHFFFAOYSA-N,4,1,0.585,75,583,431.406,3.543,5,0.406,0.63,1.0,0.8227760263175931,0.710155232677678,0.7147385374545953,0.7062829826605441,0.7384881947776025
EOS-4-01217,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5cscn5)n4)n23)c(F)c1,NQLXIFQOOLBTQW-UHFFFAOYSA-N,4,1,0.398,13,971,426.383,4.519,5,0.421,0.75,1.0,0.6411058186553354,0.6615036666438215,0.810114111438558,0.8409036392296622,0.7384068089918443
EOS-4-01218,Fc1cnc(-c2ncc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)nc1,LOVALCJPQNJWFF-UHFFFAOYSA-N,4,1,0.397,85,260,435.373,3.101,5,0.415,0.54,0.774,0.38119388664245085,0.5056027688301008,0.5136471112329518,0.4860102117743815,0.47161349461997126
EOS-4-01219,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)c1,MYEGKOUMTZXMDR-UHFFFAOYSA-N,4,1,0.575,57,709,421.432,4.772,5,0.409,0.75,1.0,0.8557843876362141,0.8677438146802824,0.8956120211089027,0.8979850592831198,0.8792813206771297
EOS-4-01220,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)cc1Cl,YFDAONPYECXXOX-UHFFFAOYSA-N,4,1,0.538,13,573,423.86,5.5,5,0.382,0.78,1.0,0.7561082173942841,0.6857309300253581,0.9002124597354534,0.9247652662600233,0.8167042183537797
EOS-4-01221,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(Cl)c4)n23)cc1F,GWZVJSCLPWQJDJ-UHFFFAOYSA-N,4,1,0.684,47,96,439.813,4.087,5,0.443,0.65,1.0,0.9669231032828456,0.9381725035981084,0.9116578712905216,0.9206188746487561,0.934343088205058
EOS-4-01222,OCc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)c1,ZLXPSHHQRQDPAR-UHFFFAOYSA-N,4,1,0.5,97,91,428.427,3.459,5,0.442,0.76,1.0,0.8070899869782743,0.5992221232266466,0.8404324583647453,0.7929288602563224,0.7599183572064973
EOS-4-01223,N#Cc1cncc(COc2cncc3nnc(-c4ccc(-c5cnnc(Cl)c5)c(F)c4)n23)c1,VPEUPLGINVVABD-UHFFFAOYSA-N,4,1,0.489,16,214,458.844,3.886,5,0.389,0.64,1.0,0.9007864436981701,0.8970683983277363,0.8862912069083682,0.8871050647659516,0.8928127784250566
EOS-4-01224,N#Cc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Br,NVBAQBGXUNPEPU-UHFFFAOYSA-N,4,1,0.6,90,708,441.676,4.053,4,0.474,0.79,1.0,0.9361764101158249,0.972791446782263,0.7953190322801728,0.8308717702693441,0.8837896648619011
EOS-4-01225,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1F,UVNWVVDZVSKMEG-UHFFFAOYSA-N,4,1,0.541,72,889,465.851,4.196,5,0.347,0.59,1.0,0.9734596669179632,0.962836680145295,0.8038345555479405,0.8228102940168597,0.8907352991570147
EOS-4-01226,N#Cc1cc(F)cc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)c1,QJYCNLRUCTVVEF-UHFFFAOYSA-N,4,1,0.338,96,46,411.375,4.065,5,0.444,0.83,0.996,0.3557586868617641,0.5056113357549175,0.9191025289562059,0.9413422657802755,0.6804537043382908
EOS-4-01227,N#Cc1nc(COc2cncc3nnc(-c4ccc(C#Cc5ccc(Cl)cn5)cc4)n23)ccc1F,JEASFIIXSAEJKQ-UHFFFAOYSA-N,4,1,0.495,1,702,481.878,4.224,5,0.354,0.72,1.0,0.9473305462271263,0.9535587005688438,0.9132941539305051,0.8923908573778356,0.9266435645260777
EOS-4-01228,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1F,VMFJFZMMNDFFEQ-UHFFFAOYSA-N,4,1,0.537,59,183,421.432,4.772,5,0.409,0.74,1.0,0.8649252964155987,0.7006116784319101,0.9046758275649373,0.895217942567336,0.8413576862449454
EOS-4-01229,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cc1,HOGMUSDGERRVLK-UHFFFAOYSA-N,4,1,0.773,23,721,429.814,3.443,4,0.474,0.75,1.0,0.9024826948118704,0.5607994654238915,0.8931704475361524,0.8634346514974984,0.8049718148173532
EOS-4-01230,FCc1cc(F)c(-c2nnc3cncc(OCc4cccc(-c5ncccc5Cl)n4)n23)cn1,QKIWZZSVAWRDHL-UHFFFAOYSA-N,4,1,0.505,24,71,465.851,4.484,5,0.365,0.69,1.0,0.7107634843396614,0.8021126036597903,0.669719347543006,0.7062915495853609,0.7222217462819547
EOS-4-01231,O=C(NC1CC1)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,QQVRXHLGQNKMEX-UHFFFAOYSA-N,4,1,0.406,66,264,438.413,3.688,5,0.514,0.88,1.0,0.40971317935713797,0.3688746487560825,0.7976492358303063,0.764546638338702,0.5851959255705572
EOS-4-01232,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)cc1F,QZFRJQCBYLHEQY-UHFFFAOYSA-N,4,1,0.582,43,178,440.41,4.306,5,0.379,0.74,1.0,0.7502227400452334,0.7936827496401891,0.92564765951614,0.9174405455417723,0.8467484236858337
EOS-4-01233,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccccc1F,YXVXPEOBMQZLFF-UHFFFAOYSA-N,4,1,0.581,91,955,459.456,4.762,5,0.349,0.77,1.0,0.9500034267699267,0.8841751764786512,0.9057295593173874,0.8666729490781989,0.9016452779110411
EOS-4-01234,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nc4)n23)c(F)c1F,LUHVHWPVCKKOKG-UHFFFAOYSA-N,4,1,0.393,66,129,448.355,3.9,4,0.479,0.81,1.0,0.42334315674045647,0.594647385374546,0.967839764238229,0.9097046124323213,0.7238837296963881
EOS-4-01235,OCc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1Cl,FDGIBLNXKODZTH-UHFFFAOYSA-N,4,1,0.62,90,636,416.268,3.607,4,0.484,0.75,1.0,0.9147762319237887,0.9336920019189912,0.8722157494345829,0.8909430470838188,0.9029067575902954
EOS-4-01236,OC(c1ncc(-c2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)nn1)C(F)(F)F,OHVYKHCQBKZCAK-UHFFFAOYSA-N,4,1,0.31,50,243,451.372,2.696,5,0.439,0.6,0.976,0.27465560962236996,0.3876961825783017,0.7735761770954698,0.67497943938044,0.5277268521691454
EOS-4-01237,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,IECPEXXOGRIGGV-UHFFFAOYSA-N,4,1,0.582,57,951,421.432,4.772,5,0.409,0.7,1.0,0.9392262353505586,0.8733123158111165,0.909687478582688,0.9027996710300871,0.9062564251936125
EOS-4-01238,Fc1cc(-c2ccncn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,HWRGJTXYFYWCRW-UHFFFAOYSA-N,4,1,0.576,35,626,447.861,4.057,5,0.362,0.68,1.0,0.952933315057227,0.9513912685902268,0.7735847440202864,0.7791618120759373,0.8642677849359194
EOS-4-01239,Fc1cnc(-c2ccccn2)cc1-c1nnc2cncc(OCCc3cccnc3F)n12,IRONIHNIGMUHJG-UHFFFAOYSA-N,4,1,0.523,24,583,431.406,3.543,5,0.38,0.68,0.999,0.8581574258104311,0.7977520389281064,0.6087999451716811,0.6017664998971969,0.7166189774518539
EOS-4-01240,Fc1nccnc1Oc1ccc(-c2cncc3nnc(-c4ccc(Br)cc4)n23)nc1,HKUNDZGQXNEMOZ-UHFFFAOYSA-N,4,1,0.413,96,914,464.258,4.337,5,0.391,0.79,1.0,0.5783445274484271,0.785458501816188,0.644703927078336,0.6284867384003838,0.6592484236858338
EOS-4-01241,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)c(Cl)n1,QVPMIAOBTYGWKG-UHFFFAOYSA-N,4,1,0.558,11,881,479.327,5.302,5,0.293,0.7,1.0,0.9317558769104243,0.9410681241861422,0.7617880885477349,0.7718285244328695,0.8516101535192928
EOS-4-01242,N#Cc1cc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,FGGSAEDPFQZPLD-UHFFFAOYSA-N,4,1,0.527,35,632,472.871,3.929,5,0.341,0.65,1.0,0.9719347543005963,0.9618771845658283,0.717351449523679,0.7252244534301967,0.8440969604550751
EOS-4-01243,Oc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncc(F)cn1,CEWIFORKLMWOJI-UHFFFAOYSA-N,4,1,0.54,35,325,463.86,3.763,5,0.379,0.52,1.0,0.9515283393872935,0.8993214995545199,0.6418083064903023,0.6284953053252005,0.7802883626893291
EOS-4-01244,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1F,SPEPVWIMVXCYFX-UHFFFAOYSA-N,4,1,0.679,91,660,443.457,5.061,5,0.367,0.74,1.0,0.9590329655266946,0.9437667055033925,0.8838067987115346,0.8682578301692825,0.913716074977726
EOS-4-01245,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)cnc4F)n23)ccn1,QNHBSQOUSYWRAP-UHFFFAOYSA-N,4,1,0.536,35,352,431.406,3.543,5,0.38,0.72,1.0,0.8173531629086424,0.8098656706188746,0.7304845452676307,0.7063001165101775,0.7660008738263313
EOS-4-01246,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Oc5ccc(F)cc5)cn4)n23)ccc1Cl,YKLGKVFVWVXPGC-UHFFFAOYSA-N,4,1,0.549,11,881,486.894,5.264,5,0.309,0.79,0.999,0.9684137482009458,0.9806815845384141,0.9230604482215065,0.9195051744225893,0.9479152388458639
EOS-4-01247,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)cn1,GQMVALXCNVOHOR-UHFFFAOYSA-N,4,1,0.585,59,521,430.418,4.414,5,0.411,0.72,1.0,0.9371102049208416,0.8619611404290316,0.8668614214241656,0.8446559522993626,0.8776471797683503
EOS-4-01248,Fc1cc(-c2nnc3cncc(OCc4cc(-c5cc(Cl)ncc5F)ncn4)n23)ccn1,RNYFACCSJGLEQM-UHFFFAOYSA-N,4,1,0.494,73,354,452.812,3.549,5,0.373,0.47,0.999,0.6715441025289562,0.7425810431087657,0.7689928723185525,0.7718370913576863,0.7387387773284902
EOS-4-01249,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1Cl,DRRPPVPSMVDRAC-UHFFFAOYSA-N,4,1,0.636,90,636,411.252,3.986,4,0.462,0.73,1.0,0.9703241724350627,0.982129394832431,0.9077513535741211,0.9289801932698238,0.9472962785278597
EOS-4-01250,Fc1ncc(Cl)c(F)c1COc1cncc2nnc(-c3ccc(-c4cnsc4)cc3)n12,CJWJCBUKRKFACY-UHFFFAOYSA-N,4,1,0.531,97,91,456.865,4.82,5,0.353,0.55,1.0,0.8889812213008018,0.8254403399355768,0.8980450277568364,0.9028082379549037,0.8788187067370296
EOS-4-01251,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(F)c1,UARCCDRFERURNZ-UHFFFAOYSA-N,4,1,0.582,57,951,421.432,4.772,5,0.409,0.73,1.0,0.947339113151943,0.8841837434034678,0.9096960455075046,0.9016174354053869,0.9107090843670755
EOS-4-01252,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Br)n4)n23)cc1,YHXUZZCLOOVFLU-UHFFFAOYSA-N,4,1,0.667,23,385,465.138,4.877,4,0.394,0.81,1.0,0.9850335823452814,0.9884175176478651,0.8079209786854911,0.8883815365636352,0.9174384038105682
EOS-4-01253,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(Cl)cc5F)n34)cc2F)cn1,XKVWKUKKNPYRSP-UHFFFAOYSA-N,4,1,0.538,13,145,438.825,4.916,5,0.398,0.77,1.0,0.6043280104173806,0.7469244739908163,0.9505517099581934,0.9522308272222603,0.8135087553971626
EOS-4-01254,Fc1cc(F)nc(COc2cncc3nnc(-c4cncc(-c5ccc(F)nc5)c4)n23)c1,XRAHJLGFWBWYJN-UHFFFAOYSA-N,4,1,0.483,2,419,435.369,3.64,5,0.389,0.71,1.0,0.5614334178603249,0.746933040915633,0.8652422726338154,0.8518864368446303,0.7563737920636009
EOS-4-01255,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5ncc(F)cn5)n4)n23)ccc1Cl,IOFXBCQEQQUJJM-UHFFFAOYSA-N,4,1,0.511,73,82,476.834,4.026,5,0.373,0.7,1.0,0.8870450962922349,0.9504746076348434,0.801966965937907,0.8287643067644438,0.8670627441573573
EOS-4-01256,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5F)n34)nc2)nn1,ATHGIEWWFPUXIG-UHFFFAOYSA-N,4,1,0.358,22,121,438.348,3.921,5,0.31,0.61,0.869,0.37187307244191625,0.5417808923308889,0.8594424645329313,0.8308803371941608,0.6509941916249743
EOS-4-01257,O=[N+]([O-])c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)cc1C(F)(F)F,LLMCJZKUCIUKNJ-UHFFFAOYSA-N,4,1,0.365,50,216,465.355,3.632,5,0.288,0.77,0.978,0.20739668288671098,0.12416900829278323,0.8609245425262148,0.6463145089438695,0.4597011856623946
EOS-4-01259,CC(C)(C)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4Cl)n23)cn1,ZTNRGGYYUPWVOS-UHFFFAOYSA-N,4,1,0.39,68,364,429.862,4.456,4,0.445,0.62,1.0,0.35825166198341446,0.41612980604482214,0.5441796312795559,0.3733380165855664,0.42297477897333974
EOS-4-01260,Fc1ccc(-c2nnc3cncc(OCc4cnc(-c5c(F)ncc6ncccc56)cn4)n23)c(F)c1,RNLYRGFMKCYLGC-UHFFFAOYSA-N,4,1,0.45,73,401,486.417,4.188,6,0.334,0.64,0.998,0.8096857651977246,0.9104927695154548,0.7690014392433692,0.7906157905558221,0.8199489411280926
EOS-4-01261,Fc1cc(OCc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)ccn1,OFTDOJDUVMAVSZ-UHFFFAOYSA-N,4,1,0.408,14,767,417.379,3.501,5,0.404,0.79,1.0,0.7232626276471797,0.7283599479130971,0.7304931121924474,0.7063086834349942,0.7221060927969296
EOS-4-01262,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4cnc(-c5ccnc(F)c5)nc4)n23)cn1,JMBWNSPAEOSHDB-UHFFFAOYSA-N,4,1,0.338,85,976,449.4,3.275,5,0.376,0.61,1.0,0.3812024535672675,0.40664622027277086,0.5837074223836611,0.4332893564526078,0.45121136316907684
EOS-4-01263,O=c1[nH]cc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc1-c1ncc(F)cn1,NNJJGADBMGGANX-UHFFFAOYSA-N,4,1,0.426,73,775,452.356,2.328,5,0.403,0.6,1.0,0.5644575423206086,0.4161383729696388,0.6476081145911864,0.6285038722500171,0.5641769755328627
EOS-4-01264,Fc1cnc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nn5)c4)n23)c1,AIXOKWFEBJPHKE-UHFFFAOYSA-N,4,1,0.477,24,486,436.357,3.035,5,0.387,0.57,0.999,0.817361729833459,0.7379720375573984,0.7122883969570283,0.692593036803509,0.7400538002878487
EOS-4-01265,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)cc1F,IYVDFQBMLSCXGN-UHFFFAOYSA-N,4,1,0.442,54,445,436.357,3.035,5,0.387,0.66,0.998,0.7442601603728326,0.7101637996024946,0.7617966554725516,0.7645552052635186,0.7451939551778494
EOS-4-01267,Cc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)c5Cl)n34)c2)cn1,MXQFOPWWXSIYHP-UHFFFAOYSA-N,4,1,0.511,59,521,446.873,4.928,5,0.381,0.77,1.0,0.8469861558494962,0.8619697073538483,0.8722243163593997,0.865122335686382,0.8615756288122816
EOS-4-01268,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1F,VAGWAARYXQTJFQ-UHFFFAOYSA-N,4,1,0.541,59,607,436.397,4.188,5,0.413,0.71,1.0,0.902491261736687,0.8098742375436914,0.9494123089575766,0.9371102049208416,0.8997220032896992
EOS-4-01269,N#Cc1cc(-c2nnc3cncc(-c4ncc(-c5cnc(F)cn5)cn4)n23)ccc1Cl,CEZQLWYGFSSTJP-UHFFFAOYSA-N,4,1,0.375,50,261,429.806,3.369,5,0.428,0.77,1.0,0.3946182578301693,0.6227126310739497,0.7147471043794119,0.771845658282503,0.6259809128915085
EOS-4-01270,CCc1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1ccncc1,WPGRPPQWEUYDAB-UHFFFAOYSA-N,4,1,0.385,13,724,464.863,5.535,5,0.34,0.61,0.941,0.6294376670550339,0.7283685148379138,0.8534627510108971,0.8567867178397642,0.7670139126859022
EOS-4-01271,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,ZVSBDGDSBNGWMZ-UHFFFAOYSA-N,4,1,0.468,13,724,442.838,5.034,5,0.388,0.66,1.0,0.7620450962922349,0.8327993283530943,0.8708364745390994,0.880003084092934,0.8364209958193407
EOS-4-01272,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1F,MCRJWWLDTGVVOY-UHFFFAOYSA-N,4,1,0.575,1,951,421.432,4.772,5,0.409,0.73,1.0,0.9515369063121102,0.8789750531149338,0.912446028373655,0.9005465698033034,0.9108761394010007
EOS-4-01273,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccccn1,QFTBDMHAOQUWNW-UHFFFAOYSA-N,4,1,0.534,11,201,437.438,3.881,5,0.372,0.67,1.0,0.9698958261942293,0.9635734356795285,0.8000651086286067,0.7645637721883353,0.874524535672675
EOS-4-01274,Fc1cc(F)c(F)c(CNCc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1,NPDHOFAJUCQREU-UHFFFAOYSA-N,4,1,0.374,14,291,452.465,4.622,5,0.381,0.71,1.0,0.41188061133575493,0.4604550750462614,0.9143307518333219,0.9097131793571379,0.674094904393119
EOS-4-01275,OCc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cnc(F)nc5)c4)n23)ncn1,GMRLFWQPBJDDKJ-UHFFFAOYSA-N,4,1,0.462,4,354,448.393,2.388,5,0.39,0.72,0.987,0.7820745665136043,0.7469416078404496,0.6561407717085875,0.5838016585566445,0.6922396511548214
EOS-4-01276,COc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1ccccc1F,QDHYYWYWWMGGTQ-UHFFFAOYSA-N,4,1,0.5,88,955,477.446,4.901,5,0.332,0.74,1.0,0.9669316702076622,0.9337005688438078,0.9143393187581386,0.8909516140086354,0.926480792954561
EOS-4-01277,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)nn5)c(F)c4)n23)c1,QSRKYONCXXAGFO-UHFFFAOYSA-N,4,1,0.523,73,712,470.802,3.688,5,0.358,0.66,1.0,0.8581659927352477,0.9083938729353711,0.7618052223973683,0.8017013912685902,0.8325166198341443
EOS-4-01278,Cc1ccc(-c2nnc3cncc(CNCc4ccc(OC(F)(F)F)cn4)n23)cn1,PBVWZYOHLHHCLL-UHFFFAOYSA-N,4,1,0.372,68,455,415.379,3.078,4,0.518,0.85,1.0,0.512456308683435,0.47822287711603045,0.8787951476937839,0.7333887327804811,0.6507157665684327
EOS-4-01279,N#Cc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1ccccn1,OQLBJXUXUUZPQF-UHFFFAOYSA-N,4,1,0.563,11,595,437.438,3.881,5,0.372,0.71,1.0,0.9747361387156467,0.9610804605578781,0.8019755328627236,0.7669539442121855,0.8761865190871085
EOS-4-01280,Fc1cnccc1OCc1cncc2nnc(-c3ccc(-c4ncccn4)c(F)c3)n12,IJCGUSZRRMWREL-UHFFFAOYSA-N,4,1,0.421,14,767,417.379,3.501,5,0.432,0.76,1.0,0.782083133438421,0.6662925776163389,0.7381005414296484,0.7063172503598109,0.7231983757110548
EOS-4-01281,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)ccn1,TXDOHZOPWZLQMC-UHFFFAOYSA-N,4,1,0.512,72,799,451.824,4.154,5,0.371,0.65,1.0,0.7876602014940717,0.8947210609279693,0.8534713179357138,0.8731238434651497,0.8522441059557262
EOS-4-01282,Clc1ccc(COc2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)cc2)cc1,INVVCYAVSQHHPA-UHFFFAOYSA-N,4,1,0.646,91,397,492.366,5.694,5,0.277,0.85,1.0,0.9583476115413612,0.944888972654376,0.922092385717223,0.9258703995613734,0.9377998423685835
EOS-4-01283,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncccn5)nn4)n23)cc1F,BOCFTOIJXXIXBA-UHFFFAOYSA-N,4,1,0.447,54,445,436.357,3.035,5,0.387,0.65,0.804,0.7733877047495031,0.7192704406826126,0.6860736070180248,0.6979644986635597,0.719174062778425
EOS-4-01284,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cccnc1,OFMJQWOQBQCEIF-UHFFFAOYSA-N,4,1,0.557,35,982,437.438,3.881,5,0.397,0.7,1.0,0.9561373449386609,0.95048317455966,0.8468062504283462,0.8228188609416763,0.894061407717086
EOS-4-01285,Fc1cnccc1COc1cncc2nnc(-c3ccc(Oc4ncccn4)cc3)n12,DZXUVKKJZBBFMW-UHFFFAOYSA-N,4,1,0.548,97,91,415.388,3.487,5,0.416,0.78,1.0,0.9491553012130766,0.802121170584607,0.6322818860941677,0.5185302583784525,0.7255221540675759
EOS-4-01286,N#Cc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,LGGDXNJQDIKGHR-UHFFFAOYSA-N,4,1,0.511,11,201,437.438,3.881,5,0.372,0.73,0.996,0.9536872044410938,0.9367589610033582,0.7550887533411007,0.7277602631759303,0.8433237954903707
EOS-4-01287,Fc1cnc(-c2ccc(-c3nnc4cncc(COc5ccncc5F)n34)c(Cl)n2)nc1,HKLIGSCWXZPLSE-UHFFFAOYSA-N,4,1,0.37,73,767,452.812,3.549,5,0.373,0.65,1.0,0.67459392776369,0.6369936947433349,0.5932081420053458,0.6345349873209513,0.6348326879583305
EOS-4-01288,Fc1cc(CCOc2cncc3nnc(-c4ccc(Oc5ccccn5)cc4)n23)ccn1,AESKJRHSRYFVHT-UHFFFAOYSA-N,4,1,0.576,11,881,428.427,4.134,5,0.36,0.73,1.0,0.9430128161195257,0.9256305256665067,0.69960934822836,0.6142570762798986,0.7956274415735728
EOS-4-01289,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)ccn2)c1,JCPWFFYFQGLLFW-UHFFFAOYSA-N,4,1,0.54,75,496,431.406,3.543,5,0.406,0.65,1.0,0.8628606675347817,0.7768830100747036,0.7456737029675827,0.7413388390103488,0.7816890548968543
EOS-4-01290,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnc(OC(F)F)cn4)cn3)n12,YIWCIPIALWLHFB-UHFFFAOYSA-N,4,1,0.453,18,904,480.41,3.4,5,0.33,0.64,1.0,0.8401497498457954,0.8619782742786649,0.7570591460489343,0.672015283393873,0.7828006133918168
EOS-4-01291,COc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1ccsn1,DLQARXAUGHGGBN-UHFFFAOYSA-N,4,1,0.471,13,724,471.876,5.647,5,0.33,0.69,1.0,0.8814594613117676,0.8215852237680762,0.9264700842985402,0.9028168048797204,0.8830828935645261
EOS-4-01292,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5cncnc5)c4)n23)cn1,SOJBXMFWDFCBCP-UHFFFAOYSA-N,4,1,0.537,59,817,450.289,4.529,5,0.364,0.71,1.0,0.8019498320882736,0.8894095675416352,0.865250839558632,0.8909601809334521,0.8618926050304982
EOS-4-01293,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)cc1F,BDWFXVRHGSCYHJ-UHFFFAOYSA-N,4,1,0.675,47,781,437.385,3.615,5,0.436,0.62,1.0,0.969904393119046,0.9337091357686245,0.8773816050990336,0.8666815160030156,0.91191916249743
EOS-4-01294,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4cncc(Br)c4)n23)cn1,JZRXEEMNSDYWQG-UHFFFAOYSA-N,4,1,0.356,68,976,432.232,3.441,4,0.492,0.65,1.0,0.2668425741895689,0.3447673223219793,0.6447124940031527,0.495125419779316,0.43786195257350424
EOS-4-01295,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(-c5cccc(F)n5)c4)n23)cc1F,NHALKQZAADVLKR-UHFFFAOYSA-N,4,1,0.34,96,648,462.847,4.551,5,0.395,0.8,1.0,0.3627150298128984,0.4604636419710781,0.9046843944897539,0.9185542457679391,0.6616043280104174
EOS-4-01296,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1F,BNKINHQSWTYWNL-UHFFFAOYSA-N,4,1,0.597,1,326,421.432,4.772,5,0.409,0.7,1.0,0.9522222602974436,0.8923308889041189,0.9181173326022891,0.9063720786786376,0.9172606401206224
EOS-4-01297,Fc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5cscn5)c4)n23)c1,HZGVZTIVKJCINP-UHFFFAOYSA-N,4,1,0.628,57,709,421.432,4.772,5,0.409,0.79,1.0,0.9400572270577754,0.8841923103282846,0.9024826948118704,0.905275512302104,0.9080019361250086
EOS-4-01298,Fc1cnc(Oc2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)nc1,WNAXNJCKLMLWSW-UHFFFAOYSA-N,4,1,0.5,65,262,448.393,3.063,5,0.347,0.73,1.0,0.7531868960318004,0.6517802069769035,0.45472380234391063,0.36357172229456514,0.5558156569117949
EOS-4-01299,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Br)c(F)c4)n23)cc1F,JCVOWHTZFDDHSA-UHFFFAOYSA-N,4,1,0.847,23,721,474.265,3.552,4,0.461,0.79,1.0,0.7704920841614694,0.38770474950311834,0.8563155369748475,0.8189466109245426,0.7083647453909945
EOS-4-01300,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)cc4Cl)n23)nc1,SMLJDTMLKUQLAU-UHFFFAOYSA-N,4,1,0.575,73,82,468.279,4.668,5,0.37,0.71,1.0,0.8123072441916249,0.894729627852786,0.797657802755123,0.85011308340758,0.8387019395517784
EOS-4-01301,N#Cc1ccc(-c2nnc3cncc(-c4nccc(-c5cccc(Cl)n5)n4)n23)c(F)c1,FOQXCIJIRMJTJB-UHFFFAOYSA-N,4,1,0.369,22,140,428.818,3.974,5,0.4,0.74,0.976,0.39033479542183536,0.5797409361935439,0.7505482831882667,0.8267425125077102,0.636841631827839
EOS-4-01302,Fc1ccc(-c2nnc3cncc(-c4ncncc4OCc4ccnc(Cl)c4)n23)nc1,QDBUIKBTNZDHEF-UHFFFAOYSA-N,4,1,0.28,46,155,434.822,3.41,5,0.387,0.68,0.981,0.5588033719416079,0.5608080323487081,0.5837159893084778,0.6285124391748338,0.5829599581934068
EOS-4-01303,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5cnccn5)cnn4)n23)cc1F,UTGUOPGKCYBQFD-UHFFFAOYSA-N,4,1,0.438,54,511,436.357,3.035,5,0.387,0.54,1.0,0.692541635254609,0.6370022616681515,0.817618737577959,0.8104310876567747,0.7393984305393736
EOS-4-01304,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5n[nH]cc5F)c4)n23)cc1F,DGYZHOYLFXQLQQ-UHFFFAOYSA-N,4,1,0.646,59,294,423.358,3.573,5,0.465,0.58,1.0,0.8923908573778356,0.8176273045027757,0.880080186416284,0.8757110547597834,0.8664523507641697
EOS-4-01305,OCC(O)Cc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cn1,ABAQSIHSDFQYAC-UHFFFAOYSA-N,4,1,0.593,90,636,446.294,2.968,4,0.45,0.67,1.0,0.9215355356041396,0.9292115002398739,0.8990559248852033,0.8896922760605853,0.9098738091974505
EOS-4-01307,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)c1,VGWZSUIERSRJNW-UHFFFAOYSA-N,4,1,0.565,75,496,431.406,3.543,5,0.406,0.7,1.0,0.8201117126996094,0.7768915769995203,0.7505568501130834,0.7386402576930985,0.7715500993763279
EOS-4-01308,N#Cc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,ILNYNKIABRGWJL-UHFFFAOYSA-N,4,1,0.506,11,201,437.438,3.881,5,0.372,0.73,1.0,0.9622626961825783,0.9395689123432253,0.7912069083681722,0.7593722157494346,0.8631026831608526
EOS-4-01309,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4cnsc4)nc3)n12,KYAIKXSHAHNWKX-UHFFFAOYSA-N,4,1,0.475,13,724,442.838,5.034,5,0.388,0.66,1.0,0.720212802412446,0.7897505311493387,0.8943269823864026,0.9040675759029538,0.8270894729627852
EOS-4-01310,Fc1cc(-c2cc(-c3nnc4cncc(COc5ccncc5F)n34)ccn2)ccn1,SVAVNIVQXGVYDR-UHFFFAOYSA-N,4,1,0.38,75,767,417.379,3.501,5,0.404,0.76,1.0,0.609810842300048,0.569786169556576,0.7890480433143718,0.7515763141662669,0.6800553423343156
EOS-4-01311,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c(F)c2)cn1,PWQNLEDSJLSSHX-UHFFFAOYSA-N,4,1,0.462,73,354,452.812,3.549,5,0.373,0.65,1.0,0.7876687684188883,0.8648738948666986,0.7505654170379,0.7619337262696183,0.7912604516482763
EOS-4-01312,COc1ncc(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,MQAVGYLBSBHOPM-UHFFFAOYSA-N,4,1,0.667,90,255,403.776,3.706,4,0.506,0.8,1.0,0.9791995065451305,0.977049208416147,0.8652594064834487,0.8446645192241793,0.9165431601672263
EOS-4-01314,CCC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,DLGYXXMJKATJEK-UHFFFAOYSA-N,4,1,0.397,68,364,417.37,4.007,4,0.441,0.57,0.943,0.31748166678089235,0.4516140086354602,0.8389075457473785,0.6868874648756083,0.5737226715098348
EOS-4-01315,O=C(NCc1ccc(Cl)c(F)c1)c1ccc(-c2nnc3cncc(Cl)n23)c(F)c1,JUYMKDSLGQANSH-UHFFFAOYSA-N,4,1,0.522,23,646,434.233,4.306,4,0.52,0.86,1.0,0.5841272016996779,0.6565091494757042,0.9537386059899938,0.9635134672058118,0.7894721060927968
EOS-4-01316,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)ccc1F,UGLXKKMUCDMBNA-UHFFFAOYSA-N,4,1,0.523,90,400,424.823,2.964,4,0.506,0.73,1.0,0.9439637447741759,0.9482386402576931,0.8322767459392776,0.82476355287506,0.8873106709615516
EOS-4-01317,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4cncnc4-c4ncc(F)cn4)n23)cn1,YKMFGCDOMDENAX-UHFFFAOYSA-N,4,1,0.281,51,976,450.388,2.67,5,0.398,0.55,0.987,0.3789150846412172,0.4020629154958536,0.34020115139469537,0.2490148036460832,0.3425484887944623
EOS-4-01318,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)c1F,VQSMEHFQSQDOFG-UHFFFAOYSA-N,4,1,0.455,46,949,417.379,3.501,5,0.432,0.7,1.0,0.8070985539030909,0.6272359673771503,0.730501679117264,0.7147385374545953,0.719893684463025
EOS-4-01319,Cc1nc(-c2cccc(F)c2F)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,XDGUGBYWKNOZTK-UHFFFAOYSA-N,4,1,0.505,88,429,462.435,4.596,5,0.367,0.73,1.0,0.9103471317935714,0.8993300664793366,0.8708450414639161,0.8619868412034816,0.8856272702350764
EOS-4-01320,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cc[nH]n1,BPEKLXUHUVIFIQ-UHFFFAOYSA-N,4,1,0.642,43,96,429.39,3.91,5,0.454,0.65,1.0,0.9529418819820438,0.912471729148105,0.944580563360976,0.9326639709409911,0.9356645363580289
EOS-4-01321,CC(F)(F)c1ncc(-c2nnc3cncc(-c4ncc(F)c(-c5cccnc5)n4)n23)cn1,GYIMPRGRZKLYBC-UHFFFAOYSA-N,4,1,0.293,50,489,435.373,3.351,5,0.423,0.62,1.0,0.3273336303200603,0.4115379343430882,0.5067593036803509,0.40772565279967105,0.41333913028579267
EOS-4-01322,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)cn1,VWHGOFRHNMMJQR-UHFFFAOYSA-N,4,1,0.522,84,981,447.861,4.057,5,0.387,0.72,1.0,0.9147847988486053,0.927532382975807,0.6618206428620382,0.7120313892125283,0.8040423034747448
EOS-4-01323,Cc1nc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cn4)n23)ccc1-c1ccncc1,TVPTUHWAUGXIMO-UHFFFAOYSA-N,4,1,0.484,27,122,479.422,4.429,5,0.353,0.69,1.0,0.7079106983757111,0.7006202453567267,0.9181258995271058,0.8169847851415256,0.7859104071002674
EOS-4-01324,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3F)n12,RYFQMJMOXYCZBF-UHFFFAOYSA-N,4,1,0.506,73,263,466.839,3.591,5,0.35,0.7,1.0,0.9087965184017545,0.9395774792680419,0.5676530052772257,0.6170755945445823,0.758275649372901
EOS-4-01325,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3Cl)n12,APVJYEWNVSROBL-UHFFFAOYSA-N,4,1,0.495,58,262,466.839,3.591,5,0.35,0.69,1.0,0.8870536632170516,0.9292200671646905,0.5774021657185937,0.6111215817969982,0.7511993694743335
EOS-4-01326,N#Cc1ccc(-c2nnc3cncc(-c4nccc(-c5cccc(F)n5)n4)n23)cc1Cl,ZVTBPRGAFKRBQY-UHFFFAOYSA-N,4,1,0.369,96,140,428.818,3.974,5,0.4,0.68,0.972,0.38353265711740114,0.5513330135014735,0.7690100061681858,0.8287728736892606,0.6331621376190802
EOS-4-01327,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5cccnn5)ncn4)n23)c(F)c1,PKJRNXJITUEPHM-UHFFFAOYSA-N,4,1,0.391,44,488,436.357,3.035,5,0.414,0.58,0.174,0.6777551230210404,0.5899869782742787,0.7456822698923994,0.7491518744431499,0.6906440614077171
EOS-4-01328,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)nc4)n23)cn1,NZLRLESUKYOHQK-UHFFFAOYSA-N,4,1,0.349,85,976,464.867,4.394,5,0.356,0.67,1.0,0.35576725378658075,0.4295027756836406,0.7550973202659174,0.6574343773559044,0.5494504317730107
EOS-4-01329,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)cc1F,ZIVIISLMBYQFEV-UHFFFAOYSA-N,4,1,0.685,59,294,421.432,4.772,5,0.409,0.76,1.0,0.9040847097525873,0.8619868412034816,0.9069117949420876,0.8966914536358029,0.8924186998834899
EOS-4-01330,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)c1,MWJHAGYKFYYQSR-UHFFFAOYSA-N,4,1,0.605,57,326,421.432,4.772,5,0.409,0.69,1.0,0.9103556987183881,0.8137721883352752,0.9256562264409568,0.9227691727777397,0.8931383215680899
EOS-4-01331,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,IJAGWTKNJJBPSC-UHFFFAOYSA-N,4,1,0.556,75,559,431.406,3.543,5,0.406,0.71,1.0,0.8044342402851072,0.8137807552600919,0.7071139743677609,0.695351586594476,0.755170139126859
EOS-4-01332,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cc(F)[nH]n5)c(F)c4)n23)ccc1F,YIIOPPVKSCOZAT-UHFFFAOYSA-N,4,1,0.5,34,702,448.368,3.444,5,0.438,0.62,1.0,0.764906449181002,0.8292697553286272,0.8736292920293331,0.855116167500514,0.8307304160098691
EOS-4-01333,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)c1,NSEYQTIKVNPQOY-UHFFFAOYSA-N,4,1,0.595,97,91,427.464,5.11,5,0.39,0.73,1.0,0.8944897539579193,0.772668083064903,0.939937290110342,0.9387036529367419,0.8864496950174765
EOS-4-01334,COc1cc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cc4)n23)ccc1-c1ncon1,SFXGRCLIIBWBNR-UHFFFAOYSA-N,4,1,0.561,1,713,484.394,4.328,5,0.333,0.67,1.0,0.9007950106229867,0.7101723665273113,0.9487612226715099,0.8483140291960798,0.8520106572544719
EOS-4-01335,Cc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(OC(F)(F)F)cn3)n12,BXDJEFYFJFIGED-UHFFFAOYSA-N,4,1,0.581,27,786,479.422,4.429,5,0.353,0.71,0.996,0.7620536632170516,0.8061990267973408,0.8800887533411007,0.7541035569871839,0.8006112500856692
EOS-4-01336,N#Cc1cc(-c2nnc3cncc(-c4nccc(-c5cnc(F)cn5)n4)n23)ccc1Cl,LMTXURWQBZPBST-UHFFFAOYSA-N,4,1,0.357,50,261,429.806,3.369,5,0.428,0.74,0.998,0.38810739496950175,0.6136488246179151,0.6618292097868549,0.7362243848947981,0.5999524535672676
EOS-4-01337,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)ccc1Cl,KPAUPGVWWROSRF-UHFFFAOYSA-N,4,1,0.549,90,636,419.807,3.344,4,0.487,0.69,0.999,0.9590415324515112,0.9770577753409636,0.875,0.8785295730244671,0.9224072202042355
EOS-4-01338,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccccn1,JAXPAVIPBGMCLK-UHFFFAOYSA-N,4,1,0.556,35,161,437.438,3.881,5,0.397,0.64,1.0,0.9567798642999109,0.9513998355150435,0.8057706805565075,0.7791703790007539,0.873280189843054
EOS-4-01339,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cccc(C(F)F)c5)n34)cc2F)n1,VOILXHDFJGVYCR-UHFFFAOYSA-N,4,1,0.511,43,51,463.423,4.607,5,0.363,0.69,1.0,0.9306079089849908,0.8789836200397505,0.8956205880337195,0.8586029059008978,0.8909537557398396
EOS-4-01340,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)ccn2)cn1,LGCYFKUENOOETI-UHFFFAOYSA-N,4,1,0.524,75,525,431.406,3.543,5,0.38,0.71,1.0,0.9118720444109383,0.8497361387156467,0.7096583510383113,0.6809248852032075,0.788047854842026
EOS-4-01341,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cc1F,LRANIZRZPXLYLP-UHFFFAOYSA-N,4,1,0.531,59,445,440.41,4.306,5,0.379,0.66,1.0,0.8377424439723117,0.8559214584332808,0.9013861284353368,0.8857771914193681,0.8702068055650743
EOS-4-01342,Cc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(C(F)(F)F)cn5)n34)cn2)cn1,PITAJNBUHHCZOE-UHFFFAOYSA-N,4,1,0.423,50,845,435.373,3.428,5,0.424,0.66,1.0,0.24565656911794942,0.3970169967788363,0.785072990199438,0.6142656432047152,0.5105030498252348
EOS-4-01343,COc1cc(-c2nnc3cncc(OCCCC(F)(F)F)n23)ccc1-c1cncn1C,NWJVCVSACMDWGZ-UHFFFAOYSA-N,4,1,0.5,68,947,432.406,3.922,4,0.412,0.73,1.0,0.6986070180248098,0.565168597080392,0.8421372764032623,0.6749880063052567,0.6952252244534302
EOS-4-01344,N#Cc1cc(-c2ccsc2)ccc1-c1nnc2cncc(COCc3cc(F)cc(Cl)c3)n12,INGZJIQDDRWGEN-UHFFFAOYSA-N,4,1,0.5,14,189,475.936,5.901,5,0.305,0.74,1.0,0.5614419847851415,0.6370108285929683,0.9614916729490782,0.9675913234185457,0.7818839524364335
EOS-4-01345,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(F)c1,SMJRACPMUFHUHW-UHFFFAOYSA-N,4,1,0.768,23,86,400.816,4.653,4,0.489,0.82,1.0,0.9892485093550819,0.9912274689877322,0.9631536563635118,0.9661263792748955,0.9774390034953053
EOS-4-01346,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1C(F)(F)F,WCQQKUISYLBJOD-UHFFFAOYSA-N,4,1,0.36,0,188,466.398,4.38,5,0.451,0.83,1.0,0.3857943252690014,0.5325628812281543,0.9711979987663628,0.9622198615584949,0.7129437667055034
EOS-4-01347,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)ccc1Cl,ONBPXWSLRAAPJV-UHFFFAOYSA-N,4,1,0.556,90,385,445.697,4.64,4,0.416,0.67,0.999,0.9610119251593447,0.9754557604002467,0.92477383318484,0.9562230141868275,0.9543661332328148
EOS-4-01348,FCc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccncc5)c4)n23)n1,XBXLSRNEFZBCRM-UHFFFAOYSA-N,4,1,0.5,97,253,431.406,3.831,5,0.404,0.79,1.0,0.6836148995956411,0.7425896100335824,0.6263878418203002,0.6170841614693989,0.6674191282297306
EOS-4-01349,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(Br)nc4)n23)cn1,INDWIVFESNOKBI-UHFFFAOYSA-N,4,1,0.413,68,364,432.232,3.441,4,0.46,0.64,1.0,0.2993626207936399,0.39232232197930234,0.65040093208142,0.48292611884038106,0.45625299842368583
EOS-4-01350,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,BWNINTLDHDZQIB-UHFFFAOYSA-N,4,1,0.636,35,234,412.428,4.009,5,0.419,0.78,1.0,0.8737149612774998,0.9182544033993557,0.757067712973751,0.7437632787334658,0.823200089096018
EOS-4-01351,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)n2)ccn1,PERNMLLCMCYHRI-UHFFFAOYSA-N,4,1,0.529,35,143,431.406,3.543,5,0.38,0.71,1.0,0.8757881570831334,0.8559300253580975,0.6669436639024056,0.6463230758686862,0.7612462305530807
EOS-4-01352,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(OC(F)F)nc3)n12,RCAMHBOVSNJQRA-UHFFFAOYSA-N,4,1,0.554,90,281,402.336,2.943,4,0.47,0.75,1.0,0.8870622301418682,0.932329860873141,0.8668699883489822,0.8039801932698238,0.8725605681584538
EOS-4-01353,N#Cc1nc(-c2ccncn2)ccc1-c1nnc2cncc(OCc3c(F)ccnc3F)n12,XTZJEICAZQPWOB-UHFFFAOYSA-N,4,1,0.421,55,486,443.377,2.767,5,0.377,0.6,1.0,0.8557929545610308,0.7812178740319375,0.6208193406894661,0.5868086491672949,0.7111597046124324
EOS-4-01354,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cn2ccccc2n1,UDNMNEGNLGPSEF-UHFFFAOYSA-N,4,1,0.549,11,201,469.455,4.401,6,0.336,0.68,1.0,0.9576622575560277,0.9014546638338702,0.7618137893221849,0.7718542252073196,0.8481962339798507
EOS-4-01355,Cn1ccc(-c2cnc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)cn2)n1,ZQBKASIAUFMXJP-UHFFFAOYSA-N,4,1,0.494,27,51,452.4,3.58,5,0.402,0.62,1.0,0.6382615996162018,0.5992306901514632,0.90022102666027,0.7836508806798711,0.7303410492769515
EOS-4-01356,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)c1Cl,PCMPLLOBKAMBOX-UHFFFAOYSA-N,4,1,0.54,11,0,471.279,4.909,5,0.325,0.59,1.0,0.8870707970666849,0.8529059008978137,0.869482900418066,0.8952265094921527,0.8761715269686793
EOS-4-01357,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)c(F)c1Cl,JCPZAYMOJHQJAR-UHFFFAOYSA-N,4,1,0.482,13,573,442.838,5.034,5,0.363,0.69,1.0,0.7380063052566651,0.8733208827359331,0.8668785552737989,0.8744260160372832,0.83815793982592
EOS-4-01358,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4nccnc4-c4ccc(F)cn4)n23)cn1,UQJVALXXXRHMGC-UHFFFAOYSA-N,4,1,0.306,85,976,449.4,3.275,5,0.402,0.57,0.962,0.34439037763004593,0.37828113220478377,0.44380097320265915,0.3568980878623809,0.38084264272496743
EOS-4-01359,Fc1ncccc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)c(F)n1,WRIMHORREDOECW-UHFFFAOYSA-N,4,1,0.542,35,143,431.406,3.543,5,0.38,0.76,1.0,0.8814680282365842,0.8762507710232335,0.6293691316565005,0.6111301487218148,0.7495545199095333
EOS-4-01360,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)cc1F,FQCQZXHPFQKCNJ-UHFFFAOYSA-N,4,1,0.524,59,445,440.41,4.306,5,0.379,0.71,1.0,0.8071071208279076,0.8706994037420328,0.9069203618669043,0.8909687478582689,0.8689239085737783
EOS-4-01361,COc1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1-c1cccc(F)n1,FTDWHJHFQREMQZ-UHFFFAOYSA-N,4,1,0.462,97,383,446.417,4.114,5,0.363,0.77,1.0,0.9508172846275101,0.7977606058529231,0.8579089849907477,0.7791789459255706,0.846416455349188
EOS-4-01362,Fc1ccc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)cc1-c1nnco1,YCRQVYGRYCUQJN-UHFFFAOYSA-N,4,1,0.512,34,772,425.33,3.233,5,0.396,0.71,1.0,0.9073315742581043,0.7977691727777397,0.8019840997875403,0.7882941539305051,0.8238447501884725
EOS-4-01363,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)nc3F)n12,PFVNNFKPLYWIAY-UHFFFAOYSA-N,4,1,0.524,35,143,431.406,3.543,5,0.38,0.71,1.0,0.846994722774313,0.8559385922829141,0.6447210609279693,0.6257024878349667,0.7433392159550408
EOS-4-01364,Fc1cnc(OCc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)c(Cl)c1,LIXVBMGJEHALAK-UHFFFAOYSA-N,4,1,0.366,14,189,456.865,4.82,5,0.377,0.66,1.0,0.6470169967788363,0.7332002604345145,0.8286957713659104,0.8483225961208964,0.7643089061750394
EOS-4-01365,N#Cc1cc(-c2cncs2)cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c1,XXAYRLFJABDVQF-UHFFFAOYSA-N,4,1,0.689,59,11,446.442,4.644,5,0.391,0.66,1.0,0.9267185251182236,0.7897590980741553,0.9511770954698101,0.9420790213145089,0.9024334349941745
EOS-4-01366,FCc1cc(COc2cncc3nnc(-c4ccnc(-c5cccc(F)c5)c4)n23)ccn1,FPEBNOZPHBYDSW-UHFFFAOYSA-N,4,1,0.511,97,183,430.418,4.436,5,0.396,0.79,1.0,0.7015283393872935,0.637019395517785,0.8231872387087931,0.79961962853814,0.7403386505380029
EOS-4-01367,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnsc5)nc4F)n23)c1F,HGVWIXCGIASIEL-UHFFFAOYSA-N,4,1,0.506,59,910,440.41,4.306,5,0.379,0.6,1.0,0.8096943321225413,0.7640326228497019,0.8827187992598177,0.8772016996778836,0.8334118634774861
EOS-4-01368,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc1C(F)(F)F,GCJCUHIBFHGVNY-UHFFFAOYSA-N,4,1,0.356,0,188,466.398,4.38,5,0.451,0.81,1.0,0.37892365156603386,0.532571448152971,0.9712065656911795,0.9622284284833116,0.711232523473374
EOS-4-01369,Fc1ncccc1COc1cncc2nnc(-c3cc(-c4cccnc4F)ccn3)n12,HIPQBXHNCHKKPE-UHFFFAOYSA-N,4,1,0.416,46,160,417.379,3.501,5,0.404,0.69,1.0,0.7820917003632376,0.5850609965046947,0.745690836817216,0.7199729285175793,0.708204115550682
EOS-4-01370,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2Cl)n1,DHDAIBSKAMSYLB-UHFFFAOYSA-N,4,1,0.585,43,293,446.873,4.928,5,0.381,0.76,1.0,0.9576708244808444,0.9482472071825098,0.830589061750394,0.836860050716195,0.8933417860324858
EOS-4-01371,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)c1,QHWVKEHQUQMHLR-UHFFFAOYSA-N,4,1,0.544,24,16,440.41,4.306,5,0.379,0.69,1.0,0.7961243232129395,0.8292783222534439,0.842145843328079,0.8446730861489959,0.8280553937358646
EOS-4-01372,N#Cc1nc(COc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)ccc1F,ZTWPEIJRLJTREH-UHFFFAOYSA-N,4,1,0.568,23,708,400.295,3.193,4,0.386,0.71,1.0,0.8423942841477623,0.8867966554725516,0.9594955794667946,0.9528219450346104,0.9103771160304297
EOS-4-01373,Fc1cc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cn4)n23)ccc1-c1nn[nH]n1,TXZPPNAFNBRCSY-UHFFFAOYSA-N,4,1,0.545,27,6,473.35,2.983,5,0.37,0.7,1.0,0.7904444520594888,0.8707079706668495,0.9133027208553218,0.8409122061544788,0.8538418374340347
EOS-4-01374,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cn2)ccn1,LEEBMSLRQRQMPV-UHFFFAOYSA-N,4,1,0.5,35,76,431.406,3.543,5,0.38,0.65,1.0,0.8493591940237133,0.8707165375916661,0.7456994037420328,0.727768830100747,0.7983859913645398
EOS-4-01375,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)ccn1,GVWHNFRCKZNGTH-UHFFFAOYSA-N,4,1,0.483,72,208,451.824,4.154,5,0.371,0.68,1.0,0.767947707490919,0.897076965252553,0.8436793228702625,0.8666900829278322,0.8438485196353916
EOS-4-01377,COc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1cncs1,XTXACMPNIQTXGK-UHFFFAOYSA-N,4,1,0.488,13,209,471.876,5.647,5,0.33,0.71,1.0,0.9040932766774039,0.8762593379480502,0.9358851346720581,0.9097217462819547,0.9064898738948668
EOS-4-01378,Fc1cnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(Cl)cn5)n34)cc2F)nc1,LWFYPLMZFVJROG-UHFFFAOYSA-N,4,1,0.346,73,291,464.867,3.865,5,0.407,0.76,1.0,0.4417106435473922,0.46047220889589474,0.6753563840723734,0.7277773970255637,0.576329158385306
EOS-4-01379,Fc1cnc(-c2cnnc(COc3cncc4nnc(-c5ccccc5OC(F)F)n34)c2)nc1,YOJNWXSKHJZETO-UHFFFAOYSA-N,4,1,0.5,27,82,466.383,3.358,5,0.356,0.68,1.0,0.6590877938455212,0.7597834281406346,0.6942036186690426,0.6491073264341032,0.6905455417723254
EOS-4-01380,Fc1ccc(-c2cncnc2)nc1NCc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,GPBIACKTBJSHEY-UHFFFAOYSA-N,4,1,0.352,85,290,449.4,3.727,5,0.418,0.66,0.781,0.17084161469398945,0.23354293742718113,0.6969964361592763,0.5959152902474127,0.4243240696319649
EOS-4-01381,Oc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1cccnc1,LNZDZJDLXVDMDW-UHFFFAOYSA-N,4,1,0.547,35,982,444.882,4.229,5,0.418,0.66,1.0,0.8693458296209993,0.8590826536906312,0.7528613528887671,0.7515848810910836,0.8082186793228702
EOS-4-01382,Fc1ccc(F)c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)c1,UJTNQNRXTWOJPP-UHFFFAOYSA-N,4,1,0.43,44,267,451.824,4.154,5,0.396,0.68,1.0,0.6986155849496265,0.8430796381330957,0.8267339455828936,0.8634432184223151,0.8079680967719828
EOS-4-01383,Fc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1nc[nH]n1,ZVALCLSWCZNVKL-UHFFFAOYSA-N,4,1,0.512,47,332,439.813,4.087,5,0.443,0.64,1.0,0.9465595229936262,0.8970855321773696,0.8896494414365019,0.9085737783565211,0.9104670687410047
EOS-4-01385,Fc1ccnc(F)c1COc1cncc2nnc(-c3cncc(-c4ncccn4)c3)n12,LQNWUDSIQAMRJP-UHFFFAOYSA-N,4,1,0.453,2,131,418.367,2.896,5,0.402,0.62,1.0,0.8097028990473579,0.646768555959153,0.5803748886299774,0.5515643204715236,0.647102666027003
EOS-4-01386,Fc1cc(F)nc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nc5)c4)n23)c1,ZQGITEBRFBQTGB-UHFFFAOYSA-N,4,1,0.517,97,525,435.369,3.64,5,0.389,0.72,1.0,0.6043365773421973,0.7556627373038174,0.8404410252895621,0.822827427866493,0.7558169419505175
EOS-4-01387,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,JHYXXTPQCNNBJT-UHFFFAOYSA-N,4,1,0.847,23,721,413.359,2.929,4,0.524,0.78,1.0,0.8044428072099239,0.4342145843328079,0.8873963402097184,0.8567952847645809,0.7457122541292578
EOS-4-01388,Fc1cncc(-c2nc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)ccc2Cl)c1,MCEIRQNABQUBKV-UHFFFAOYSA-N,4,1,0.489,2,434,469.267,4.063,5,0.355,0.67,0.999,0.7442687272976493,0.8529144678226304,0.6779521622918238,0.7491604413679666,0.7560739496950175
EOS-4-01390,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)ccn2)nc1,PVJJRYFZPMYJML-UHFFFAOYSA-N,4,1,0.489,75,583,449.396,3.682,5,0.391,0.65,1.0,0.8737235282023165,0.8465663765334795,0.7407734219724488,0.7465389623740663,0.8019005722705778
EOS-4-01391,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)c2)cc1,DWNVDODMWXNHNT-UHFFFAOYSA-N,4,1,0.462,11,560,464.863,4.801,5,0.359,0.74,0.997,0.8227845932424097,0.8430882050579124,0.8563241038996642,0.8967000205606196,0.8547242306901515
EOS-4-01392,CCOc1ncc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)cc1-c1ccccc1,COQRJDOVQUQRAM-UHFFFAOYSA-N,4,1,0.426,97,91,460.444,4.504,5,0.33,0.63,1.0,0.840158316770612,0.7512764717976835,0.7758464121718868,0.6979730655883764,0.7663135665821397
EOS-4-01393,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5ccncn5)nc4F)n23)n1,JAAFHVFLYKYFBE-UHFFFAOYSA-N,4,1,0.421,73,486,437.345,2.43,5,0.302,0.62,1.0,0.7412103351380989,0.7726766499897197,0.4547323692687273,0.43329792337742445,0.6004793194434926
EOS-4-01395,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Br)c(Cl)n4)n23)cc1,IDERCIDQWQHMDG-UHFFFAOYSA-N,4,1,0.667,23,385,465.138,4.877,4,0.394,0.8,1.0,0.985042149270098,0.9884260845726818,0.8139863614556919,0.8909773147830855,0.9196079775203894
EOS-4-01396,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2F)ncc1F,WHCYEBJFUKKGCD-UHFFFAOYSA-N,4,1,0.529,16,772,465.851,4.462,5,0.354,0.72,1.0,0.957679391405661,0.8993386334041532,0.8000736755534233,0.7883027208553218,0.8613486053046399
EOS-4-01398,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c(F)c1,RSJPYJSMXKYNAA-UHFFFAOYSA-N,4,1,0.531,59,109,421.432,4.772,5,0.409,0.73,1.0,0.844570283051196,0.8137893221849085,0.8968970598314029,0.8923994243026523,0.8619140223425399
EOS-4-01399,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5ncco5)c4)n23)n1,AZODIHRCIKANQX-UHFFFAOYSA-N,4,1,0.478,73,526,425.33,3.233,5,0.396,0.62,1.0,0.8716588993214995,0.8021297375094236,0.6697279144678226,0.6463316427935029,0.7474620485230622
EOS-4-01400,FC(F)(F)c1ccccc1-c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncn5)cn4)n23)cn1,ZHVSUTJJYUREHD-UHFFFAOYSA-N,4,1,0.317,32,20,496.456,5.391,6,0.323,0.67,0.98,0.3696713727640326,0.48225789870468094,0.9574566513604277,0.9195137413474059,0.6822249160441368
EOS-4-01401,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cnoc1,KJHLWRBHCMFXGE-UHFFFAOYSA-N,4,1,0.703,97,96,430.374,4.175,5,0.412,0.69,1.0,0.9361849770406415,0.7977777397025564,0.960026728805428,0.9482814748817764,0.9105677301076005
EOS-4-01402,N#Cc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cc[nH]n1,KFWOSUSOGXKFIV-UHFFFAOYSA-N,4,1,0.495,43,178,429.39,3.91,5,0.454,0.62,0.999,0.9349770406414913,0.8868052223973683,0.9406226440956754,0.9278065245699404,0.9225528579261189
EOS-4-01403,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)c(F)cn1,RFBTZGYSVJAJAT-UHFFFAOYSA-N,4,1,0.506,35,76,431.406,3.543,5,0.38,0.74,1.0,0.8757967240079501,0.8789921869645672,0.7227314783085463,0.6953601535192927,0.7932201357000891
EOS-4-01404,Fc1cc(CCOc2cncc3nnc(-c4cc(F)c(-c5cscn5)cc4F)n23)ccn1,XEZXXDWJFXWHPR-UHFFFAOYSA-N,4,1,0.547,11,595,454.437,4.349,5,0.355,0.6,1.0,0.8833270509218011,0.8707251045164828,0.8668871221986156,0.8551247344253307,0.8690160030155575
EOS-4-01406,Fc1cc(F)c(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c(Cl)c1F,AXTDMOXVVUJVNA-UHFFFAOYSA-N,4,1,0.506,24,577,474.855,4.96,5,0.265,0.69,1.0,0.7848502501542046,0.832807895277911,0.9191110958810226,0.9185628126927559,0.8638330135014736
EOS-4-01407,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1ccsc1,LAEGBSGEUWHVPL-UHFFFAOYSA-N,4,1,0.693,97,103,450.47,5.386,5,0.347,0.72,1.0,0.9747447056404633,0.9038876704818039,0.9500119936947433,0.9195223082722226,0.9370416695223083
EOS-4-01408,COc1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1ccccn1,MSMWIENXOVMQBI-UHFFFAOYSA-N,4,1,0.457,97,383,446.417,4.114,5,0.363,0.69,1.0,0.9465680899184429,0.7726852169145364,0.8231958056336097,0.7362329518196148,0.819670516071551
EOS-4-01409,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5Cl)n34)ccn2)nn1,LYIGPPRVAITYAD-UHFFFAOYSA-N,4,1,0.482,55,980,452.812,3.549,5,0.399,0.65,1.0,0.7791104105270372,0.7769001439243369,0.7252929888287301,0.7567164690562675,0.759505003084093
EOS-4-01410,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4F)n23)ccn1,NLBPFUSVOYUSRA-UHFFFAOYSA-N,4,1,0.543,35,143,431.406,3.543,5,0.38,0.71,1.0,0.8539424988006306,0.8590912206154478,0.6887464875608251,0.6604670687410047,0.7655618189294771
EOS-4-01411,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc(-c2cncnc2)c1,GTUNRJPGAZHUAZ-UHFFFAOYSA-N,4,1,0.512,55,817,433.834,4.015,5,0.386,0.69,1.0,0.8019583990130903,0.9124802960729217,0.8563326708244808,0.8634517853471317,0.8585557878144061
EOS-4-01412,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5cccnc5)c4)n23)c1Cl,XAUJSULKIKEGKA-UHFFFAOYSA-N,4,1,0.512,97,253,446.873,4.928,5,0.381,0.75,1.0,0.9103642656432047,0.8993472003289699,0.887404907134535,0.8857857583441848,0.8957255328627236
EOS-4-01413,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4cncs4)nc3)n12,GFUFUKVNWZBMKU-UHFFFAOYSA-N,4,1,0.475,13,724,442.838,5.034,5,0.388,0.7,1.0,0.7988143376053731,0.8619954081282982,0.8788037146186005,0.8871136316907683,0.8566817730107601
EOS-4-01414,Fc1cc(-c2cccnc2F)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,OMIVWTNTQNGMQZ-UHFFFAOYSA-N,4,1,0.512,34,208,451.824,4.154,5,0.371,0.68,1.0,0.8377510108971283,0.8868137893221849,0.8287043382907272,0.8518950037694469,0.8512910355698718
EOS-4-01415,Fc1ccc(-c2nnc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)o2)cc1F,UYAHQVUQOMNFII-UHFFFAOYSA-N,4,1,0.392,14,476,441.348,4.043,5,0.38,0.69,0.994,0.39034336234665207,0.6227211979987664,0.8468148173531629,0.8446816530738126,0.6761402576930985
EOS-4-01416,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)nn2)nc1,PGWWYMKRQJYEDM-UHFFFAOYSA-N,4,1,0.447,54,665,436.357,3.035,5,0.414,0.6,0.965,0.75023130697005,0.7006288122815434,0.6263964087451168,0.6749965732300733,0.688063275306696
EOS-4-01417,Fc1ccc(-c2cc(-c3nnc4cncc(COc5ccncc5F)n34)ccn2)nc1,QQCMGPMTOUOXIT-UHFFFAOYSA-N,4,1,0.411,24,767,417.379,3.501,5,0.432,0.72,1.0,0.632247618394901,0.5850695634295113,0.7381091083544651,0.7120399561373449,0.6668665615790557
EOS-4-01419,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)c1,XGBFXBUIQLUYGE-UHFFFAOYSA-N,4,1,0.511,35,904,431.406,3.543,5,0.406,0.73,1.0,0.8716674662463162,0.8993557672537866,0.7433863340415324,0.7305873483654307,0.8112492289767664
EOS-4-01420,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c1,YLWLLSVEBJDYRK-UHFFFAOYSA-N,4,1,0.607,47,164,437.385,3.615,5,0.436,0.6,1.0,0.9465766568432595,0.9063806456034542,0.8594510314577479,0.8586114728257145,0.892754951682544
EOS-4-01421,Fc1cc(-c2cnnc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c2)ccn1,GLHORIYBBJAEBX-UHFFFAOYSA-N,4,1,0.383,46,87,436.357,3.035,5,0.387,0.53,1.0,0.6268076211363169,0.622729764923583,0.8038431224727571,0.792937427181139,0.711579483928449
EOS-4-01422,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)cc3F)n12,UQJSUSVXDBUVLP-UHFFFAOYSA-N,4,1,0.56,35,202,431.406,3.543,5,0.406,0.68,1.0,0.8961003358234528,0.8970940991021863,0.8159653210883421,0.8017099581934068,0.8527174285518471
EOS-4-01423,Fc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ccncc1,LTFODRMTIOVKCO-UHFFFAOYSA-N,4,1,0.512,73,196,433.834,4.015,5,0.413,0.75,1.0,0.8302206839832773,0.8868223562470016,0.7202299362620793,0.7645723391131519,0.8004613289013776
EOS-4-01424,N#Cc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1nccs1,KCOGACKUEQGDPJ-UHFFFAOYSA-N,4,1,0.517,43,521,446.442,4.644,5,0.391,0.72,1.0,0.9202162291823727,0.8790007538893838,0.9210986224384895,0.9063806456034542,0.906674062778425
EOS-4-01425,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)nnc1F,VDDDYSQWGWHDIE-UHFFFAOYSA-N,4,1,0.472,13,251,435.369,4.161,5,0.419,0.7,1.0,0.7232711945719964,0.8215937906928928,0.8139949283805086,0.7996281954629566,0.7896220272770886
EOS-4-01426,N#Cc1ncc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)cc1F,YNENGHMDXJUFAI-UHFFFAOYSA-N,4,1,0.506,75,183,424.399,3.233,5,0.422,0.67,1.0,0.8123158111164417,0.7101809334521281,0.722740045233363,0.654735796038654,0.7249931464601467
EOS-4-01427,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,UYEMEWLSNXXTNS-UHFFFAOYSA-N,4,1,0.516,84,265,447.861,4.057,5,0.387,0.68,1.0,0.9215441025289562,0.9275409499006236,0.6753649509971901,0.7008344184771435,0.8063211054759784
EOS-4-01428,FCc1nc(-c2ncc(F)cn2)cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)n1,AIKQLSMWHYPKPY-UHFFFAOYSA-N,4,1,0.378,73,724,488.792,4.371,5,0.336,0.54,0.87,0.8097114659721746,0.7685302583784525,0.6642193818107053,0.7437718456582825,0.7465582379549036
EOS-4-01429,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3cnccc3Cl)n12,KQLRDYYNEJPLNJ-UHFFFAOYSA-N,4,1,0.58,35,352,451.914,5.329,5,0.349,0.69,1.0,0.9118806113357549,0.9292286340895072,0.8736378589541498,0.9016260023302035,0.9040932766774038
EOS-4-01430,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nn5)n34)cc2F)cn1,JRNIUODVVFWIIK-UHFFFAOYSA-N,4,1,0.5,27,52,484.417,4.202,5,0.333,0.68,1.0,0.49471420738811595,0.6663011445411555,0.902491261736687,0.7906243574806388,0.7135327427866492
EOS-4-01431,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccc(F)c4F)n23)cc1,NITSQKHZOVXYGX-UHFFFAOYSA-N,4,1,0.549,43,607,436.397,4.188,5,0.387,0.72,1.0,0.9392348022753753,0.8216023576177095,0.9445891302857926,0.9238571722294565,0.9073208656020835
EOS-4-01432,FCc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)ccn1,OWCSQRKEPKXGES-UHFFFAOYSA-N,4,1,0.529,97,253,431.406,3.831,5,0.404,0.7,1.0,0.8777756836406003,0.7769087108491536,0.6833321910766911,0.6345435542457679,0.7431400349530531
EOS-4-01433,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)ccn1,YGMBTJZPADEBBL-UHFFFAOYSA-N,4,1,0.392,14,189,421.432,4.772,5,0.383,0.74,1.0,0.5783530943732438,0.6807706805565075,0.8920310465355356,0.8883901034884518,0.7598862312384347
EOS-4-01434,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)n1,HLVTXBFPHKYIDR-UHFFFAOYSA-N,4,1,0.585,43,293,430.418,4.414,5,0.411,0.81,1.0,0.9553920224796107,0.9014632307586868,0.8305976286752107,0.8039887601946405,0.8728604105270372
EOS-4-01435,OCc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)ccn1,BEXITXNPYFOWCG-UHFFFAOYSA-N,4,1,0.522,35,161,460.444,3.64,5,0.396,0.63,1.0,0.8649338633404153,0.8062075937221574,0.8681293262970324,0.832936399150161,0.8430517956274415
EOS-4-01436,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c1F,UFWHLUADHOIYHC-UHFFFAOYSA-N,4,1,0.547,35,698,431.406,3.543,5,0.38,0.68,1.0,0.7988229045301899,0.867752381605099,0.7356675347817148,0.6953687204441094,0.7744028853402783
EOS-4-01437,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)ccn2)ncn1,BSGPHKWOSPZRAY-UHFFFAOYSA-N,4,1,0.512,75,583,432.394,2.938,5,0.298,0.67,1.0,0.8605047632101981,0.737980604482215,0.5544428072099239,0.5152919607977521,0.6670550339250223
EOS-4-01438,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4cc(C(F)(F)F)ccn4)n23)cc1F,LVZRWFYAYLSWGT-UHFFFAOYSA-N,4,1,0.376,66,225,459.407,3.706,4,0.427,0.84,1.0,0.30458844493180726,0.35917688986361457,0.9097046124323213,0.7669625111370023,0.5851081145911864
EOS-4-01439,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(Cl)n2)ccn1,JILIICGDXOUSOR-UHFFFAOYSA-N,4,1,0.529,35,143,447.861,4.057,5,0.362,0.74,1.0,0.8923994243026523,0.9063892125282709,0.6618377767116715,0.6895003769446919,0.7875316976218216
EOS-4-01440,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)cc3Cl)n12,VGEGNWLTOTZSAV-UHFFFAOYSA-N,4,1,0.56,35,202,447.861,4.057,5,0.387,0.64,1.0,0.8795918717017339,0.9275495168254403,0.8122215749434583,0.834975327256528,0.8635845726817901
EOS-4-01441,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C(F)F)n5)n34)cn2)nc1,APXROKLFSUOQDA-UHFFFAOYSA-N,4,1,0.462,73,930,468.374,3.833,5,0.347,0.72,1.0,0.7620622301418682,0.8894181344664519,0.7642553628949352,0.6895089438695086,0.7763111678431911
EOS-4-01442,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cc(-c4cncnc4)ccn3)n12,IXTXSSMESFMWPD-UHFFFAOYSA-N,4,1,0.383,46,435,434.822,3.41,5,0.387,0.62,1.0,0.7232797614968131,0.6565177164005209,0.709666917963128,0.7172315125762456,0.7016739771091769
EOS-4-01443,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)nc3F)n12,NYRYYYUOPCLEGF-UHFFFAOYSA-N,4,1,0.56,35,143,431.406,3.543,5,0.38,0.71,1.0,0.8123243780412583,0.843096771982729,0.697005003084093,0.6780121307655405,0.7576095709684052
EOS-4-01444,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)n2)cn1,AAMFHWINJFUTLV-UHFFFAOYSA-N,4,1,0.542,35,143,431.406,3.543,5,0.38,0.73,1.0,0.8796004386265506,0.8868309231718182,0.6887550544856418,0.6604756356658213,0.778915512987458
EOS-4-01445,Fc1ccc(NCc2cncc3nnc(-c4cnc(-c5cccnc5F)nc4)n23)c(F)c1,XRDYAMRRXRXTOX-UHFFFAOYSA-N,4,1,0.371,73,291,434.385,3.673,5,0.422,0.77,1.0,0.2589952710575012,0.26960112398053593,0.7147556713042287,0.7172400795010623,0.490148036460832
EOS-4-01446,Cc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)cc1OC(F)F,NHXWLLCXJJRLHL-UHFFFAOYSA-N,4,1,0.533,90,127,441.373,3.123,4,0.43,0.63,0.998,0.9160698375711055,0.9514084024398601,0.8101226783633747,0.7034901651703105,0.8452727708861627
EOS-4-01447,OCc1c(F)ccc(-c2nnc3cncc(-c4ncc(-c5cncnc5)cn4)n23)c1F,UTVCCRWNFNWVEF-UHFFFAOYSA-N,4,1,0.316,50,736,418.367,2.476,5,0.473,0.69,1.0,0.3835412240422178,0.4782314440408471,0.6887636214104585,0.6895175107943252,0.5600134500719622
EOS-4-01448,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5Cl)n34)cc2F)n1,JZYHLZFQVVIMNZ-UHFFFAOYSA-N,4,1,0.523,59,630,483.841,4.601,5,0.337,0.62,1.0,0.9482300733328765,0.9448975395791926,0.9173120416695223,0.917449112466589,0.931972191762045
EOS-4-01449,N#Cc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3c(F)cccc3F)n12,QUGWMQBGWSINSB-UHFFFAOYSA-N,4,1,0.471,59,332,446.442,4.644,5,0.391,0.71,1.0,0.8777842505654171,0.8328164622027278,0.8694914673428826,0.8682663970940991,0.8620896443012817
EOS-4-01450,Fc1c(Cl)cccc1CCOc1cncc2nnc(-c3cncnc3-c3cnccn3)n12,ARQXVIBDBKYICR-UHFFFAOYSA-N,4,1,0.539,65,324,448.849,3.452,5,0.389,0.69,1.0,0.6986241518744432,0.7812264409567542,0.5743352066342265,0.6257110547597834,0.6699742135563018
EOS-4-01451,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)ccn2)c1,IGVVQXGVYRVMII-UHFFFAOYSA-N,4,1,0.529,73,183,435.369,3.64,5,0.389,0.65,1.0,0.6043451442670139,0.7239394147076965,0.8372883969570283,0.8287814406140772,0.748588599136454
EOS-4-01452,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)c(F)c1,VSSUGFYIIOGNKC-UHFFFAOYSA-N,4,1,0.5,34,607,436.397,4.188,5,0.413,0.73,1.0,0.864942430265232,0.7936913165650058,0.9440065793982592,0.9334521280241245,0.8840231135631553
EOS-4-01453,N#Cc1cc(-c2cncs2)cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)c1,AKRHJJKEKUFJJZ-UHFFFAOYSA-N,4,1,0.537,97,521,446.442,4.644,5,0.391,0.72,1.0,0.8628692344595984,0.742598176958399,0.9459684051812761,0.9405112740730588,0.8729867726680831
EOS-4-01454,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccnc(F)c5)c4)n23)ccc1F,RDZFGBQGEXRVRC-UHFFFAOYSA-N,4,1,0.495,4,702,442.389,3.372,5,0.381,0.64,1.0,0.7531954629566171,0.7283770817627304,0.7805239531217874,0.7333972997052978,0.7488734493866083
EOS-4-01455,N#Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)n1,VYIGDRHBFDXLCI-UHFFFAOYSA-N,4,1,0.517,4,539,442.389,3.372,5,0.407,0.7,1.0,0.8148087862380919,0.8497447056404633,0.7528699198135838,0.7305959152902474,0.7870048317455967
EOS-4-01457,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)n2)nc1,HWUJQALLDKTRJT-UHFFFAOYSA-N,4,1,0.529,58,262,466.839,3.591,5,0.35,0.66,1.0,0.9188455212117058,0.9423702967582757,0.557484065519841,0.6017750668220135,0.7551187375779591
EOS-4-01458,N#Cc1cc(F)cc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)c1,PZQNQDIOQSLBEX-UHFFFAOYSA-N,4,1,0.395,96,856,411.375,4.065,5,0.444,0.81,1.0,0.42108148858885613,0.5372918237269549,0.9087022822287711,0.9152902474127887,0.6955914604893427
EOS-4-01459,Fc1cccnc1-c1cc(-c2nnc3cncc(OCCc4cncnc4F)n23)ccn1,OATVZSPAFLQOKS-UHFFFAOYSA-N,4,1,0.522,75,583,432.394,2.938,5,0.377,0.67,0.999,0.837759577821945,0.6954201219930094,0.48241210335138096,0.48601877869919813,0.6254026454663834
EOS-4-01460,COCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cn1,MEGWOHIHWQXZSY-UHFFFAOYSA-N,4,1,0.635,90,281,431.83,3.886,4,0.413,0.72,1.0,0.820120279624426,0.897102666027003,0.9057381262422041,0.8800116510177507,0.875743180727846
EOS-4-01461,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)ccn1,WSQCENNGCPYNOC-UHFFFAOYSA-N,4,1,0.5,35,161,431.406,3.543,5,0.38,0.71,1.0,0.8401668836954287,0.8762679048728669,0.7505739839627168,0.7252330203550134,0.7980604482215065
EOS-4-01463,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4Cl)n23)c1,IVVPVWWCXLJLIK-UHFFFAOYSA-N,4,1,0.518,35,143,447.861,4.057,5,0.362,0.73,1.0,0.8649509971900486,0.9038962374066205,0.6669522308272222,0.7034987320951271,0.7848245493797548
EOS-4-01464,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncncc5F)n34)cc2F)nc1,MMDWIWVCKNULAJ-UHFFFAOYSA-N,4,1,0.511,73,82,450.384,3.077,5,0.389,0.65,1.0,0.9561459118634775,0.9256390925913234,0.5708913028579261,0.5929768350352957,0.7614132855870056
EOS-4-01465,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncncc1Cl,CZPBTBNRGILNJI-UHFFFAOYSA-N,4,1,0.465,73,196,469.267,4.063,5,0.38,0.7,0.968,0.9448718388047427,0.8894267013912686,0.6618463436364882,0.7465475292988829,0.8106731032828456
EOS-4-01466,N#Cc1ccc(-c2nnc3cncc(-c4nccnc4OCc4cncc(F)c4)n23)c(F)n1,VFECMMYTWLUHLO-UHFFFAOYSA-N,4,1,0.317,55,155,443.377,2.767,5,0.377,0.69,0.344,0.6715526694537729,0.7101895003769447,0.5476749366047563,0.5285449934891372,0.6144905249811528
EOS-4-01467,O=C(c1ccc(-c2cncc3nnc(-c4cc(F)c(Cl)cc4F)n23)cc1F)N1CCCC1,KXPVTMMHFOFDSU-UHFFFAOYSA-N,4,1,0.371,0,188,457.843,4.765,5,0.416,0.84,1.0,0.3247806867246933,0.46490987595092864,0.3590912206154479,0.7491690082927832,0.47448769789596323
EOS-4-01468,Fc1cc(CNCc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)cc(F)c1Cl,PSGGBHWHPMMLLD-UHFFFAOYSA-N,4,1,0.385,14,291,452.852,4.668,5,0.377,0.71,1.0,0.49243540538688235,0.5236018778699199,0.9321842231512576,0.930059625796724,0.719570283051196
EOS-4-01469,N#Cc1cc(COc2cncc3nnc(-c4ccc(-c5ncco5)cc4C#N)n23)ccc1F,WAKJBAIKZCKWLA-UHFFFAOYSA-N,4,1,0.512,1,230,437.394,3.908,5,0.405,0.68,1.0,0.9430213830443424,0.8137978891097252,0.9181344664519224,0.8813823589884175,0.8890840243986019
EOS-4-01470,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)c(F)c4)n23)ccn1,LTFDRRQZVQSJCH-UHFFFAOYSA-N,4,1,0.595,35,202,431.406,3.543,5,0.38,0.68,1.0,0.9294342402851072,0.9275580837502571,0.8212853813994928,0.7974436296347063,0.8689303337673908
EOS-4-01471,Fc1ncc(F)c(COc2cncc3nnc(-c4cncc(-c5ncc(Cl)cn5)c4)n23)n1,CCXKJXRQEGQKHM-UHFFFAOYSA-N,4,1,0.438,2,491,453.8,2.944,5,0.37,0.63,1.0,0.7138647111232952,0.7332088273593311,0.4402371324789254,0.4739394147076965,0.590312521417312
EOS-4-01472,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)cc3Cl)n12,PGZGPKTXCACVCL-UHFFFAOYSA-N,4,1,0.56,35,202,447.861,4.057,5,0.387,0.65,1.0,0.8907460078130355,0.9275666506750737,0.8159738880131588,0.8329449660749777,0.8668078781440614
EOS-4-01473,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)c1F,ANLWLXRNGCTUMD-UHFFFAOYSA-N,4,1,0.547,11,922,430.418,4.148,5,0.403,0.74,1.0,0.9215526694537729,0.9323384277979576,0.80008224247824,0.8017185251182236,0.8639229662120486
EOS-4-01474,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)cc2)n1,LSYVKSAJLBHWES-UHFFFAOYSA-N,4,1,0.575,43,178,436.397,4.188,5,0.387,0.74,1.0,0.8227931601672264,0.8062161606469742,0.9427643752998424,0.9195308751970392,0.8728261428277705
EOS-4-01475,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)ccn2)c1,QAHDWYHAYVDCAJ-UHFFFAOYSA-N,4,1,0.517,75,583,449.396,3.682,5,0.391,0.62,1.0,0.8605133301350147,0.8062247275717909,0.7850815571242546,0.7836594476046879,0.808869765608937
EOS-4-01476,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(F)c(F)c5)n34)nc2)cn1,PDJSGMFIJYSYBN-UHFFFAOYSA-N,4,1,0.397,45,274,405.343,3.728,5,0.455,0.79,1.0,0.4187341511890892,0.6517887739017202,0.8874134740593517,0.8979936262079364,0.7139825063395244
EOS-4-01477,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4Cl)n23)ccc1-c1ccncc1,NJTVUSWULSEFIW-UHFFFAOYSA-N,4,1,0.488,97,103,462.872,4.628,5,0.34,0.69,1.0,0.9041018436022206,0.8176358714275923,0.8681378932218491,0.8169933520663423,0.851717240079501
EOS-4-01478,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccsc1,GKDOSRWTRHSVSH-UHFFFAOYSA-N,4,1,0.593,35,429,451.914,5.329,5,0.349,0.69,1.0,0.9430299499691591,0.9395860461928586,0.8722328832842163,0.8952350764169693,0.9125209889658008
EOS-4-01479,O=c1[nH]cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)cc1-c1ncc(F)cc1F,OKTLZVGHOTYWIC-UHFFFAOYSA-N,4,1,0.489,73,526,451.368,2.933,5,0.437,0.62,0.997,0.4210900555136728,0.43422315125762456,0.7593807826742512,0.7695497224316359,0.5960609279692961
EOS-4-01482,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4ccc(-c5cncnc5)cn4)n23)nn1,FRFGFFQZIZIIMN-UHFFFAOYSA-N,4,1,0.319,85,362,435.373,3.043,5,0.424,0.7,1.0,0.2643838667671852,0.3054108697142074,0.787034815982455,0.6634397916523884,0.505067336029059
EOS-4-01483,CC(=O)c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccc(F)c(F)c4F)n23)nc1,OCLYCANKYJSGMK-UHFFFAOYSA-N,4,1,0.324,45,140,446.392,4.535,5,0.298,0.64,0.924,0.32734219724487695,0.42951134260845725,0.8609331094510314,0.8287900075388939,0.6116441642108148
EOS-4-01485,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,BOICSZIQFUXCTN-UHFFFAOYSA-N,4,1,0.465,24,786,417.379,3.501,5,0.404,0.68,1.0,0.8558015214858474,0.7597919950654513,0.6916164073744089,0.6691025289562059,0.7440781132204785
EOS-4-01486,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,CWDMQHIAAMFZRS-UHFFFAOYSA-N,4,1,0.59,90,281,418.791,3.458,4,0.454,0.77,0.999,0.8814765951614009,0.9305308066616408,0.8122301418682749,0.7836680145295045,0.8519763895552053
EOS-4-01487,Fc1cnccc1-c1cccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,UYIYLERQXQRUGU-UHFFFAOYSA-N,4,1,0.563,11,275,446.873,4.662,5,0.377,0.68,1.0,0.8814851620862175,0.8790093208142006,0.8212939483243095,0.8483311630457131,0.8575298985676101
EOS-4-01488,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4F)n23)ccn1,IZYPHFJQVONUMB-UHFFFAOYSA-N,4,1,0.529,35,143,431.406,3.543,5,0.38,0.72,1.0,0.9041104105270372,0.8971112329518196,0.6723665273113563,0.6491158933589198,0.7806760160372832
EOS-4-01489,Cn1cncc1-c1ccc(-c2nnc3cncc(Cc4ccc(F)c(F)c4)n23)c(F)c1,XNKLUFFNGOSLEU-UHFFFAOYSA-N,4,1,0.367,45,358,420.398,4.2,5,0.437,0.75,1.0,0.392459392776369,0.5417894592557055,0.9465081214447262,0.944554862586526,0.7063279590158317
EOS-4-01490,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)ccn2)nc1,WSVPPDRVLRAJHA-UHFFFAOYSA-N,4,1,0.578,75,263,448.849,3.452,5,0.389,0.58,1.0,0.8737320951271331,0.8328250291275444,0.49596497841134946,0.5420807346994723,0.6861507093413748
EOS-4-01491,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)ccn2)ncn1,OOUPNNYSYQWBMS-UHFFFAOYSA-N,4,1,0.545,75,583,448.849,3.452,5,0.364,0.65,1.0,0.835155232677678,0.8254489068603934,0.6088085120964979,0.6229096703447331,0.7230805804948256
EOS-4-01492,OCC(O)Cc1ccc(-c2cncc3nnc(-c4nccnc4-c4ccccc4F)n23)cc1F,GOFQHFNMLHWBLA-UHFFFAOYSA-N,4,1,0.346,96,961,460.444,3.089,5,0.401,0.51,0.756,0.39888458638886987,0.5096977588924679,0.8548505928311974,0.8634603522719485,0.6567233225961209
EOS-4-01495,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)cc1Cl,IHRKWDWMFJPYJC-UHFFFAOYSA-N,4,1,0.488,13,573,419.807,4.228,5,0.43,0.64,1.0,0.6746024946885066,0.6615122335686382,0.755105887190734,0.8189551778493592,0.7275439483243095
EOS-4-01496,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3cncc(C(F)F)n3)n12,PZJUZKRVGJEBMZ-UHFFFAOYSA-N,4,1,0.478,27,28,450.384,3.694,5,0.361,0.65,1.0,0.6684257418956892,0.7854670687410047,0.6589935576725379,0.5868172160921116,0.6749258961003358
EOS-4-01497,Clc1ccc(-c2nnc3cncc(OCCc4ccc(C#Cc5cccnc5)nc4)n23)cc1,WWTJXLHRIQGBLQ-UHFFFAOYSA-N,4,1,0.679,11,201,452.905,4.256,5,0.371,0.73,1.0,0.9719433212254129,0.985556164759098,0.8287129052155439,0.8149544239599753,0.9002917037900076
EOS-4-01498,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccn2)ccn1,PWQWSNYZNHDHGG-UHFFFAOYSA-N,4,1,0.5,59,183,430.418,4.414,5,0.411,0.74,1.0,0.8924079912274689,0.714772805153862,0.8920396134603523,0.8534370502364471,0.8381643650195326
EOS-4-01500,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4Cl)n23)ccn1,IHXLJPONDNVHMU-UHFFFAOYSA-N,4,1,0.583,35,202,447.861,4.057,5,0.362,0.69,1.0,0.9008035775478035,0.9472791446782263,0.8101312452881914,0.8209512713316428,0.869791309711466
EOS-4-01501,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2F)n1,VBLCGTYMBCYNRN-UHFFFAOYSA-N,4,1,0.542,34,607,436.397,4.188,5,0.413,0.72,1.0,0.82540607223631,0.817644438352409,0.9363905832362415,0.9238657391542732,0.8758267082448083
EOS-4-01502,Fc1nc(-c2ccc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,RCKITMYHMOBACM-UHFFFAOYSA-N,4,1,0.566,58,28,447.861,4.057,5,0.362,0.7,1.0,0.934985607566308,0.9395946131176752,0.6117126996093483,0.6491244602837366,0.783854345144267
EOS-4-01503,CC(C)Nc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,AQUFYCRSCFGWDV-UHFFFAOYSA-N,4,1,0.753,48,231,442.35,5.54,4,0.407,0.81,1.0,0.9804759783428141,0.9574052498115276,0.8931790144609691,0.8666986498526489,0.92443972311699
EOS-4-01504,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)ccc2F)n1,NUEVXKGIDHVPQC-UHFFFAOYSA-N,4,1,0.541,34,630,449.396,3.948,5,0.401,0.66,1.0,0.9254763210198067,0.9105013364402714,0.8389161126721952,0.8409207730792955,0.8789536358028922
EOS-4-01505,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)c(F)c3)n12,KNMRVVVNSKERKC-UHFFFAOYSA-N,4,1,0.571,35,202,431.406,3.543,5,0.406,0.66,1.0,0.9103728325680214,0.8947381947776026,0.8267425125077102,0.8104396545815914,0.8605732986087314
EOS-4-01506,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccsc5)n34)ccn2)cc1Cl,WZVLSBXKEKTGJL-UHFFFAOYSA-N,4,1,0.605,35,429,451.914,5.329,5,0.349,0.76,1.0,0.907340141182921,0.8894352683160852,0.8681464601466657,0.8841837434034678,0.8872764032622849
EOS-4-01507,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cccnc3Cl)n12,CIEYENHXRIOXGR-UHFFFAOYSA-N,4,1,0.477,72,820,433.834,4.015,5,0.386,0.77,1.0,0.8870793639915016,0.8733294496607498,0.7782451511205538,0.8017270920430403,0.8350952642039614
EOS-4-01508,Fc1cc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)ccc1-c1cscn1,JKEMTCFGPRFRRF-UHFFFAOYSA-N,4,1,0.593,35,559,454.437,4.349,5,0.38,0.64,1.0,0.9267270920430403,0.9014717976835035,0.8520149407168802,0.8519035706942636,0.8830293502844219
EOS-4-01509,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cc2)cc1F,FOGNCVVKMXHCFG-UHFFFAOYSA-N,4,1,0.505,88,490,462.435,4.596,5,0.367,0.66,1.0,0.9536957713659104,0.9514169693646769,0.8750085669248167,0.8534456171612638,0.9083917312041669
EOS-4-01510,Cn1cc(-c2ccc(-c3nnc4cncc(OCC(F)c5cc(F)cc(F)c5)n34)cc2)cn1,MMLOYMXBGKFNDM-UHFFFAOYSA-N,4,1,0.595,91,322,450.424,4.56,5,0.379,0.63,1.0,0.7532040298814338,0.8842008772531013,0.9687478582687958,0.952830511959427,0.8897458193406894
EOS-4-01511,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cc(F)c(F)c5F)n34)cc2)n1,FUOITALQPFFTPE-UHFFFAOYSA-N,4,1,0.53,59,630,467.386,4.087,5,0.219,0.63,1.0,0.9371187718456583,0.8993643341786033,0.9097131793571379,0.8813909259132342,0.9068968028236585
EOS-4-01512,Fc1cnc(Cl)nc1Cc1cncc2nnc(-c3ccc(-c4ccncn4)cc3)n12,BLFMRNGLTHIVFH-UHFFFAOYSA-N,4,1,0.356,85,81,418.823,3.422,5,0.412,0.66,1.0,0.48250633952436434,0.47824001096566376,0.5136556781577685,0.5807946679459941,0.5137991741484477
EOS-4-01514,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,APHSUVXWKMEUHO-UHFFFAOYSA-N,4,1,0.417,13,724,442.838,5.034,5,0.388,0.72,1.0,0.6746110616133233,0.7332173942841478,0.8637601946405319,0.8772102666027003,0.7871997292851758
EOS-4-01515,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)cn1,LROSRVAGEWXKLN-UHFFFAOYSA-N,4,1,0.541,97,801,423.411,3.838,5,0.423,0.84,1.0,0.9118891782605716,0.8947467617024193,0.8389246795970119,0.810448221506408,0.8640022102666027
EOS-4-01517,FC(F)(F)c1ccc(-c2ccc(-c3nnc4cncc(Br)n34)s2)nn1,ICXMQBLKAIZCJV-UHFFFAOYSA-N,4,1,0.478,68,861,427.209,4.091,4,0.482,0.72,1.0,0.22662942910013023,0.23901720238503188,0.892048180385169,0.8267510794325269,0.5461114728257145
EOS-4-01518,OCc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccncc5)c4)n23)cn1,RKMJBXMLBSDBSD-UHFFFAOYSA-N,4,1,0.571,97,91,428.427,3.459,5,0.442,0.78,0.999,0.7988314714550065,0.7147813720786786,0.8213025152491261,0.7645809060379686,0.7748740662051951
EOS-4-01519,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)nc1,GYPFGZVTCGFZAR-UHFFFAOYSA-N,4,1,0.56,73,82,442.389,3.372,5,0.407,0.75,1.0,0.8351637996024946,0.8559471592077308,0.7805325200466041,0.7541121239120006,0.8064389006922075
EOS-4-01520,Cc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ncc(F)cn1,XBVPUKCVDSWMMY-UHFFFAOYSA-N,4,1,0.407,13,971,435.369,4.161,5,0.419,0.74,1.0,0.7412189020629155,0.7426067438832157,0.7173600164484957,0.7225515728873964,0.7309343088205058
EOS-4-01522,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]c5)c(Cl)c4)n23)c1F,VIASONMGHJMIKO-UHFFFAOYSA-N,4,1,0.539,37,265,453.84,4.13,5,0.415,0.63,1.0,0.927994996915907,0.9165581522856555,0.9024998286615037,0.912985744637105,0.9150096806250427
EOS-4-01523,N#Cc1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)ccc1Cl,OJMUTQPGXRDOQF-UHFFFAOYSA-N,4,1,0.618,90,708,441.676,4.053,4,0.474,0.76,1.0,0.8044513741347405,0.9381810705229251,0.8838153656363512,0.8952436433417861,0.8804228634089508
EOS-4-01524,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)cn2)nc1,LVYIIOSEWNXFKA-UHFFFAOYSA-N,4,1,0.533,73,263,466.839,3.591,5,0.35,0.64,1.0,0.9280035638407237,0.9514255362894936,0.5774107326434104,0.6229182372695498,0.7699395175107943
EOS-4-01525,CCn1c(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)c[nH]c1=NCc1ccc(F)c(F)c1,ACWYUWDCWKBADT-UHFFFAOYSA-N,4,1,0.452,14,358,479.922,4.564,5,0.388,0.47,0.008,0.37665341648961687,0.5513415804262902,0.7122969638818449,0.7813977794530875,0.6054224350627099
EOS-4-01526,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4F)nc3)n12,GOILBLOGERWOMM-UHFFFAOYSA-N,4,1,0.5,35,161,431.406,3.543,5,0.38,0.73,1.0,0.8777928174902337,0.8868394900966349,0.7202385031868961,0.6926016037283257,0.7943681036255226
EOS-4-01527,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)cc1-c1cscn1,YUSAOBWXSBTSJA-UHFFFAOYSA-N,4,1,0.547,88,595,454.437,4.349,5,0.355,0.66,1.0,0.9228719758755397,0.9201391268590227,0.8668956891234323,0.8534541840860804,0.8908402439860187
EOS-4-01528,Clc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccccc5Cl)n34)c2)nc1,AFHQEWKQXFVTGE-UHFFFAOYSA-N,4,1,0.5,2,491,450.289,4.529,5,0.389,0.76,1.0,0.7442772942224659,0.7469501747652663,0.7202470701117127,0.7996367623877733,0.7527778253718046
EOS-4-01529,CC(c1cnc(Cc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cn1)N1CCCCC1,AMDXFTSYZGHNPN-UHFFFAOYSA-N,4,1,0.44,78,5,483.498,4.618,5,0.396,0.6,0.997,0.4304537043382907,0.4604807758207114,0.30383455554794053,0.44261017065314234,0.4093448015900213
EOS-4-01530,FC(F)(F)c1ccc(Cc2cncc3nnc(-c4cnc(-c5cnoc5)nc4)n23)cn1,LQLOIKCGBCMFDF-UHFFFAOYSA-N,4,1,0.403,85,362,424.346,3.241,5,0.433,0.7,1.0,0.35577582071139746,0.3157511479679254,0.8267510794325269,0.6809334521280241,0.5448028750599685
EOS-4-01531,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)cc1Cl,OJWBTJSFSZBXIU-UHFFFAOYSA-N,4,1,0.576,90,636,419.807,3.344,4,0.487,0.67,1.0,0.9641045850181619,0.9710352271948461,0.8750171338496333,0.8757196216846,0.9214691419368103
EOS-4-01532,Fc1ncc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)c(F)n1,DCPXGLQAXGLTQE-UHFFFAOYSA-N,4,1,0.421,55,354,453.8,2.944,5,0.225,0.54,0.995,0.7502398738948667,0.8677609485299157,0.5676615722020424,0.5679014460969091,0.6883909601809335
EOS-4-01533,OCc1cncc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)c1,BNJRPFISUJICHM-UHFFFAOYSA-N,4,1,0.529,97,109,428.427,3.459,5,0.442,0.77,1.0,0.8280703858542937,0.7640411897745185,0.8122387087930917,0.761942293194435,0.7915731444040847
EOS-4-01534,Fc1ccc(-c2ncccc2-c2nnc3cncc(OCCc4ccnc(F)c4)n23)nc1,SXBFEZNZHSMCDR-UHFFFAOYSA-N,4,1,0.529,11,578,431.406,3.543,5,0.38,0.66,0.997,0.894498320882736,0.8590997875402645,0.6178209170036324,0.6202967582756493,0.7479289459255705
EOS-4-01535,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)nn5)cn4)n23)cc1F,HOVANKZFEYEFKB-UHFFFAOYSA-N,4,1,0.56,4,391,452.812,3.549,5,0.399,0.66,1.0,0.84936776094853,0.9014803646083202,0.7505825508875335,0.766971078061819,0.8171004386265507
EOS-4-01536,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1-c1ccsc1,MIRNFNZTCBWMHE-UHFFFAOYSA-N,4,1,0.518,97,103,450.47,5.386,5,0.347,0.63,1.0,0.9465852237680762,0.8559557261325474,0.9378812281543417,0.9085823452813379,0.9122511308340757
EOS-4-01537,COc1cc(-c2nnc3cncc(CNc4ccc(F)cc4)n23)ccc1-c1cccc(F)n1,QQBWTIRXKWJFSX-UHFFFAOYSA-N,4,1,0.386,57,358,444.445,4.752,5,0.381,0.89,1.0,0.41639538071413884,0.3638715646631485,0.8485110684668631,0.7836765814543212,0.6031136488246178
EOS-4-01538,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cc2F)n1,UCTGKXASAKIHQL-UHFFFAOYSA-N,4,1,0.523,4,71,449.396,3.948,5,0.375,0.67,1.0,0.8351723665273113,0.8677695154547324,0.7805410869714208,0.7437804125830991,0.806815845384141
EOS-4-01539,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)c1,LEWPXBDFXCSCSD-UHFFFAOYSA-N,4,1,0.57,59,293,424.342,3.838,5,0.423,0.71,1.0,0.9349941744911247,0.8431053389075458,0.9036049619628538,0.9016345692550202,0.8958347611541361
EOS-4-01540,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,MXIVAVONQGBZPX-UHFFFAOYSA-N,4,1,0.56,11,275,446.873,4.662,5,0.377,0.69,1.0,0.9008121444726201,0.9437752724282091,0.8232043725584264,0.8501216503323967,0.879478359947913
EOS-4-01541,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)cc3Cl)n12,SVCSVUWAAMBGNV-UHFFFAOYSA-N,4,1,0.585,35,352,451.914,5.329,5,0.326,0.72,1.0,0.8945068878075526,0.9323469947227743,0.845212802412446,0.8731324103899664,0.8862997738331848
EOS-4-01542,FCc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cn2)ccn1,ZVQRLNCEENUSIT-UHFFFAOYSA-N,4,1,0.473,4,390,449.396,3.97,5,0.362,0.73,1.0,0.67461962853814,0.809882804468508,0.7782537180453705,0.7386488246179151,0.7503512439174834
EOS-4-01543,Fc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1Cl,RDPQVDDPHOPBFK-UHFFFAOYSA-N,4,1,0.645,23,281,423.21,3.788,4,0.486,0.75,1.0,0.959718319512028,0.9816753478171476,0.8452213693372627,0.9129943115619217,0.9249023370570899
EOS-4-01544,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)n2)cnn1,YDVSCWPXNWSNAA-UHFFFAOYSA-N,4,1,0.489,58,143,450.384,3.077,5,0.364,0.58,1.0,0.8401754506202453,0.8842094441779179,0.6916249742992255,0.6839747104379412,0.7749961448838325
EOS-4-01545,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1ccnnc1,SPXKLEWWFLEACV-UHFFFAOYSA-N,4,1,0.517,43,178,446.417,4.114,5,0.388,0.64,1.0,0.9008207113974368,0.8431139058323625,0.9154615859091221,0.8619954081282982,0.8803479028168049
EOS-4-01546,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)cc1,LYUMIVNTUQAZFN-UHFFFAOYSA-N,4,1,0.568,59,178,436.397,4.188,5,0.387,0.72,1.0,0.9160784044959221,0.8062332944966075,0.9518281817558769,0.9326725378658077,0.9017031046535535
EOS-4-01547,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,KCEMLZZFICYWLC-UHFFFAOYSA-N,4,1,0.628,91,660,430.418,4.148,5,0.403,0.79,1.0,0.9554005894044274,0.9674885203207456,0.8534798848605305,0.8465578096086629,0.9057317010485916
EOS-4-01548,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)nc3F)n12,YQKKFJHWXIDIIR-UHFFFAOYSA-N,4,1,0.512,35,143,431.406,3.543,5,0.38,0.72,1.0,0.8539510657254472,0.8814937290110342,0.680753546706874,0.6662497429922555,0.7706120211089027
EOS-4-01549,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ccn2)c1,IGIVFZIWNZXEPN-UHFFFAOYSA-N,4,1,0.44,51,379,452.812,3.549,5,0.373,0.65,1.0,0.7848588170790213,0.797786306627373,0.644729627852786,0.689526077719142,0.7292252073195806
EOS-4-01550,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1F,GFTBTLYDFOIHCJ-UHFFFAOYSA-N,4,1,0.581,90,127,411.347,3.151,4,0.48,0.68,0.995,0.9174148447673223,0.9635820026043451,0.8340329655266946,0.7567250359810842,0.8679387122198615
EOS-4-01551,Cn1cc(-c2ccnc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cc5)n34)n2)cn1,GHEZBVFQBJKTLT-UHFFFAOYSA-N,4,1,0.356,50,542,422.374,3.668,5,0.441,0.77,1.0,0.2016996778836269,0.2955332054005894,0.9239171407031732,0.8534627510108971,0.5686531937495717
EOS-4-01552,Fc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)ccc1-c1ccnnc1,FMWOCEUAVRGVPP-UHFFFAOYSA-N,4,1,0.494,72,208,452.812,3.549,5,0.399,0.57,1.0,0.7763090261119868,0.8790178877390172,0.7805496538962374,0.8128041258309917,0.8121701733945583
EOS-4-01553,CCOc1cc(F)ccc1-c1nnc2cncc(Cc3cc4c(cc3F)OCCCO4)n12,ISZHDHKJPNSHEI-UHFFFAOYSA-N,4,1,0.382,90,9,438.434,4.22,5,0.465,0.73,0.994,0.5810859433897608,0.5651771640052087,0.6942121855938592,0.6634483585772051,0.6259809128915085
EOS-4-01554,COc1cc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1ccsc1,UHRVEHCMKRCDMY-UHFFFAOYSA-N,4,1,0.547,97,103,450.47,5.386,5,0.347,0.62,1.0,0.9457370982112261,0.8707336714412994,0.945274484271126,0.9163611130148722,0.9195265917346309
EOS-4-01555,Fc1nnc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)F)nn5)n34)c(F)c2)s1,WHDCCYZZSAPXHS-UHFFFAOYSA-N,4,1,0.354,22,476,458.404,3.906,5,0.369,0.59,1.0,0.36739257076279896,0.5466726064012062,0.6779607292166404,0.6720238503186896,0.5660124391748338
EOS-4-01556,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)nn4)n23)c1,NEYVKJWOLCGHKB-UHFFFAOYSA-N,4,1,0.422,54,411,436.357,3.035,5,0.414,0.66,0.832,0.7294650812144473,0.695428688917826,0.7020766225755602,0.7306044822150641,0.7143937187307245
EOS-4-01557,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)nc3Cl)n12,PCXMIBMSXLTFGW-UHFFFAOYSA-N,4,1,0.56,35,143,447.861,4.057,5,0.362,0.74,1.0,0.8351809334521281,0.894755328627236,0.6916335412240422,0.7172486464258789,0.7847046124323211
EOS-4-01559,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2F)n1,WKUCBIDKOIHRRQ-UHFFFAOYSA-N,4,1,0.529,34,607,449.396,3.948,5,0.401,0.67,1.0,0.9317644438352409,0.9039048043314372,0.8421544102528956,0.8368686176410116,0.8786730690151463
EOS-4-01560,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,VCOJCYSYYGNHKE-UHFFFAOYSA-N,4,1,0.548,11,922,446.873,4.662,5,0.377,0.77,1.0,0.9133284216297718,0.9449061065040093,0.8122472757179083,0.8409293400041121,0.8778527859639503
EOS-4-01561,Fc1nnc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)F)nn5)n34)cc2F)s1,HICURVQXKUHSSP-UHFFFAOYSA-N,4,1,0.362,22,476,458.404,3.906,5,0.369,0.58,1.0,0.4164039476389555,0.585078130354328,0.6753735179220067,0.6720324172435063,0.5872220032896991
EOS-4-01562,FCc1nnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)cc1F,SMGLGWJWLBPBHL-UHFFFAOYSA-N,4,1,0.5,4,534,450.384,3.365,5,0.388,0.65,1.0,0.8201288465492427,0.789767664998972,0.5173994243026523,0.52506682201357,0.6630906894661093
EOS-4-01563,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ccc(C(F)F)cn3)n12,BEQLVXZIJVKYGF-UHFFFAOYSA-N,4,1,0.547,27,666,454.437,4.966,5,0.361,0.73,1.0,0.7202213693372627,0.8292868891782605,0.9077599204989377,0.8715303954492495,0.8321996436159276
EOS-4-01564,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1ccsc1,CZPBQOWDBPOVSS-UHFFFAOYSA-N,4,1,0.529,97,103,450.47,5.386,5,0.347,0.63,1.0,0.9590500993763279,0.8620039750531149,0.9465166883695428,0.9152988143376054,0.9207173942841478
EOS-4-01565,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cnnc(-c4ccncc4)c3)n12,XJDARUXMNUCBSC-UHFFFAOYSA-N,4,1,0.483,59,910,433.834,4.015,5,0.413,0.57,1.0,0.7047238023439106,0.7379891714070317,0.8322853128640944,0.8501302172572134,0.7812821259680625
EOS-4-01566,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)ccc1F,TUZFHIQZWSYMPB-UHFFFAOYSA-N,4,1,0.535,4,702,442.389,3.372,5,0.407,0.67,1.0,0.8581745596600644,0.8591083544650813,0.7356761017065314,0.6926101706531423,0.7863922966212049
EOS-4-01567,Cn1ccnc1-c1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1F,HUPNKHNGSHOMKV-UHFFFAOYSA-N,4,1,0.636,13,573,422.37,4.401,5,0.429,0.71,1.0,0.8693543965458159,0.8360890274826948,0.9256647933657735,0.9195394421218559,0.887661914879035
EOS-4-01568,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4Cl)n23)ccn1,FBUQJRASWBDDEK-UHFFFAOYSA-N,4,1,0.543,35,143,447.861,4.057,5,0.362,0.75,1.0,0.8716760331711328,0.9084024398601878,0.6833407580015077,0.7008429854019601,0.7910655541086972
EOS-4-01570,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncc(Cl)cn1,FDETXZXQALKDFE-UHFFFAOYSA-N,4,1,0.506,73,196,469.267,4.063,5,0.38,0.69,1.0,0.9418734151189089,0.92564765951614,0.5932167089301624,0.6839832773627579,0.7861802652319922
EOS-4-01571,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5c[nH]c(F)n5)c4)n23)c(F)c1F,DOUXAAAZKLOFQC-UHFFFAOYSA-N,4,1,0.315,45,26,467.386,3.764,5,0.392,0.62,0.997,0.32215920773079293,0.38771331642793505,0.9087108491535878,0.8857943252690015,0.6260944246453293
EOS-4-01572,Fc1cc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)ccc1-c1ncc[nH]1,HMEHKWACOCRMQG-UHFFFAOYSA-N,4,1,0.483,27,343,438.373,3.627,5,0.431,0.67,1.0,0.7620707970666849,0.7897762319237887,0.8019926667123569,0.7277859639503804,0.7704064149133026
EOS-4-01573,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)ccn2)c1,XQXYWTDYRURRMG-UHFFFAOYSA-N,4,1,0.463,75,496,449.396,3.682,5,0.391,0.63,1.0,0.8758052909327668,0.8396271674319786,0.7805582208210541,0.7859639503803715,0.8204886573915428
EOS-4-01574,Fc1ccnc(F)c1CCOc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,XPRKAHQYNMDJHV-UHFFFAOYSA-N,4,1,0.547,75,420,432.394,2.938,5,0.377,0.62,1.0,0.8870879309163183,0.7469587416900829,0.45474093619354394,0.44586560208347614,0.6336633027208554
EOS-4-01575,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)cc3)n12,ZWJQSHLHOPLDRJ-UHFFFAOYSA-N,4,1,0.645,35,982,412.428,4.009,5,0.419,0.76,1.0,0.9241998492221233,0.932355561647591,0.7850901240490713,0.7645894729627852,0.8515587519703928
EOS-4-01576,N#Cc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncc(F)cn5)c4)n23)n1,UZLRSDFVKOTWDN-UHFFFAOYSA-N,4,1,0.511,4,82,442.389,3.372,5,0.407,0.69,1.0,0.8671269960934823,0.84975327256528,0.7227486121581796,0.6979816325131931,0.7844026283325338
EOS-4-01578,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)cc3F)n12,KKICHLYBHAVNJC-UHFFFAOYSA-N,4,1,0.58,35,161,435.459,4.815,5,0.383,0.72,1.0,0.8889897882256186,0.889443835240902,0.8762422040984168,0.8757281886094168,0.8826010040435885
EOS-4-01579,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)cc1F,MAOBUUNFASBEBJ-UHFFFAOYSA-N,4,1,0.645,13,573,438.825,4.916,5,0.398,0.7,1.0,0.8977623192378864,0.8815022959358508,0.927301076005757,0.9334606949489411,0.9100065965321089
EOS-4-01580,Cn1cc(-c2cnnc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)c2)c(C(F)(F)F)n1,YWYMERZGFLFCPQ-UHFFFAOYSA-N,4,1,0.326,50,542,481.829,4.193,5,0.38,0.76,1.0,0.21275957782194505,0.43856658213967514,0.9585446508121445,0.9300681927215406,0.6349847508738263
EOS-4-01581,Fc1ccc(CCOc2cncc3nnc(-c4cncnc4-c4ncccn4)n23)cc1Cl,DMYPKLXZIHENRJ-UHFFFAOYSA-N,4,1,0.627,84,262,448.849,3.452,5,0.389,0.74,1.0,0.8814937290110342,0.8254574737852101,0.5067678706051676,0.5710969090535262,0.6962039956137345
EOS-4-01582,Cn1nncc1-c1cccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)cn4)n23)c1,VNZSZBDONPSBCG-UHFFFAOYSA-N,4,1,0.522,27,51,452.4,3.58,5,0.402,0.63,1.0,0.32216777465560964,0.4914587759577822,0.9163354122404221,0.8228359947913098,0.6381994894112809
EOS-4-01584,FC(F)c1ccc(-c2nnc3cncc(-c4cccc(COc5ccc(Cl)cn5)n4)n23)cn1,XJPIHKPWNLRJFC-UHFFFAOYSA-N,4,1,0.35,27,243,465.851,4.813,5,0.355,0.69,0.991,0.5200808717702693,0.7332259612089644,0.8468233842779795,0.7996453293125899,0.7249438866424508
EOS-4-01585,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCc3c(F)cccc3Cl)n12,TULABPMJDLIXDC-UHFFFAOYSA-N,4,1,0.494,34,146,456.865,4.82,5,0.377,0.72,1.0,0.8605218970598314,0.9305393735864574,0.8851175382084847,0.9108697142073882,0.8967621307655405
EOS-4-01586,N#Cc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,LVNLQSCDJJDEPK-UHFFFAOYSA-N,4,1,0.544,35,161,453.893,4.395,5,0.375,0.74,1.0,0.9515454732369268,0.9437838393530258,0.7976663696799396,0.8104567884312247,0.8758631176752792
EOS-4-01587,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)ccc1-c1nccs1,WRTDGOUTKUMBAQ-UHFFFAOYSA-N,4,1,0.523,43,521,462.897,5.158,5,0.358,0.74,0.999,0.9133369885545884,0.9237543691316565,0.9191196628058392,0.92477383318484,0.9202462134192311
EOS-4-01589,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ccc1-c1ccnnc1,UYVYOMREZBFGDI-UHFFFAOYSA-N,4,1,0.556,43,16,446.417,4.114,5,0.388,0.65,1.0,0.862877801384415,0.8328335960523611,0.9077684874237544,0.8568038516893975,0.865070934137482
EOS-4-01590,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)cc2F)nc1,NTQZFIYXPFLJDT-UHFFFAOYSA-N,4,1,0.556,73,795,466.839,3.591,5,0.374,0.68,1.0,0.9629394832430951,0.9565485573298609,0.4995459529847166,0.5742923720101433,0.7483315913919539
EOS-4-01592,N#Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)ccc1F,JGFLDZQOEFXTSY-UHFFFAOYSA-N,4,1,0.511,4,702,442.389,3.372,5,0.407,0.69,1.0,0.8815022959358508,0.867778082379549,0.7305102460420807,0.695377287368926,0.7937919779316017
EOS-4-01593,Cc1ncc(-c2cccc(F)c2)c(-c2nnc3cncc(-c4ncc(C(F)F)cn4)n23)n1,FWEUZBUNJOXOFQ-UHFFFAOYSA-N,4,1,0.314,50,978,434.385,4.09,5,0.42,0.74,0.952,0.2723511068466863,0.42059317387430606,0.6887721883352752,0.719981495442396,0.5254244911246659
EOS-4-01594,CCn1cc(-c2cc(-c3nnc4cncc(Oc5cccc(F)c5Cl)n34)ccc2F)cn1,IHIKYFKYOZRAHJ-UHFFFAOYSA-N,4,1,0.472,13,145,452.852,5.399,5,0.357,0.6,1.0,0.5283136865190871,0.7239479816325132,0.9264786512233568,0.9289887601946405,0.7769322698923994
EOS-4-01595,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3cc(-c4ncco4)ncn3)n12,NIALEKPQNXFZCI-UHFFFAOYSA-N,4,1,0.36,44,971,427.758,3.96,5,0.424,0.57,1.0,0.6896888492906587,0.6184548694400658,0.7227571790829964,0.7491775752175999,0.6950196182578302
EOS-4-01596,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)cn2)nc1,BYXFYVDOXJRFGV-UHFFFAOYSA-N,4,1,0.44,73,930,437.345,2.43,5,0.382,0.69,1.0,0.7932886710986224,0.8176530052772257,0.3965629497635529,0.3893410321431019,0.5992114145706258
EOS-4-01597,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)ncc1Cl,HMZWGUHJHJHIDI-UHFFFAOYSA-N,4,1,0.529,37,141,465.851,4.196,5,0.371,0.64,1.0,0.9603180042491947,0.9535672674936605,0.782879857446371,0.8017356589678569,0.8746251970392708
EOS-4-01598,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5nccc(F)c5F)n34)cn2)nc1,JGMJQAPCJFGQFP-UHFFFAOYSA-N,4,1,0.472,73,930,436.357,3.035,5,0.414,0.65,0.999,0.7932972380234391,0.8396357343567953,0.6208279076142827,0.6170927283942156,0.7177134020971832
EOS-4-01599,CCNCCc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,RGBDQVJMMFSLHO-UHFFFAOYSA-N,4,1,0.649,48,17,425.895,4.315,4,0.426,0.88,1.0,0.8796090055513672,0.8360975944075115,0.8176273045027757,0.8060790898499075,0.8348532485778904
EOS-4-01600,CCNCCc1ccc(COc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)nc1,MUCVPPCRLXRMCV-UHFFFAOYSA-N,4,1,0.552,90,255,428.418,3.335,4,0.343,0.82,1.0,0.4257418956891234,0.3495048317455966,0.7305188129668974,0.6720409841683229,0.5444516311424851
EOS-4-01601,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4cnc(C(C)(F)F)nc4)n23)cn1,AEUOORZTJAEJRT-UHFFFAOYSA-N,4,1,0.333,68,364,418.358,3.186,4,0.46,0.61,1.0,0.2803697484750874,0.3209255705571928,0.7279573024467137,0.41421081488588857,0.4358658590912206
EOS-4-01602,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccc(C(F)(F)F)nn1,NVXZBJRIBQDJNN-UHFFFAOYSA-N,4,1,0.527,72,925,493.449,4.292,5,0.331,0.68,1.0,0.8778013844150504,0.8098913713933247,0.9013946953601535,0.7386573915427318,0.8319362106778151
EOS-4-01603,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)nnc1Cl,UGODSJKSFJJGMX-UHFFFAOYSA-N,4,1,0.505,90,281,437.769,2.992,4,0.435,0.7,1.0,0.8558100884106641,0.9323641285724077,0.7457079706668495,0.7413474059351655,0.8188073983962716
EOS-4-01604,Fc1ccc(COCc2cncc3nnc(-c4ccc(-c5nncs5)c(F)c4F)n23)cc1F,JOTUYZACGFCTLW-UHFFFAOYSA-N,4,1,0.609,45,607,472.427,4.583,5,0.337,0.69,1.0,0.6590963607703378,0.772693783839353,0.9420875882393256,0.9413508327050922,0.8288071413885272
EOS-4-01605,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,XGLHKDYHHMHYCB-UHFFFAOYSA-N,4,1,0.495,58,262,466.839,3.591,5,0.35,0.62,1.0,0.8889983551504352,0.9305479405112741,0.577419299568227,0.604782057432664,0.7504369131656501
EOS-4-01606,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cc2Cl)nc1,ZUUASXXMCMUZER-UHFFFAOYSA-N,4,1,0.534,73,141,465.851,4.196,5,0.371,0.69,1.0,0.9522308272222603,0.9524878349667604,0.6942207525186759,0.7515934480159002,0.8376332156808991
EOS-4-01607,O=C(c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F)N1CCCC1,MQQSDADIUHGTLL-UHFFFAOYSA-N,4,1,0.75,0,378,467.451,4.066,5,0.428,0.82,1.0,0.39462682475498595,0.344775889246796,0.19942944280720992,0.47095812487149613,0.352447570420122
EOS-4-01608,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccc(C(F)F)n4)[nH]3)n12,IAFPNZUCSRCIIW-UHFFFAOYSA-N,4,1,0.474,35,161,451.412,4.275,5,0.397,0.53,1.0,0.6071208279076142,0.4963761908025495,0.8652679734082653,0.8104653553560414,0.6948075868686177
EOS-4-01609,Fc1cnc(-c2ccc(CCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)nc1,WOFIPPBRJIUMTC-UHFFFAOYSA-N,4,1,0.373,85,580,448.412,3.9,5,0.389,0.58,0.982,0.43949181001987525,0.5797495031183606,0.647616681516003,0.6047906243574807,0.5679121547529299
EOS-4-01610,COc1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccccc1F,UNWXRCDZAZGLDX-UHFFFAOYSA-N,4,1,0.56,57,955,445.429,4.719,5,0.377,0.77,1.0,0.8758138578575835,0.8431224727571791,0.907777054348571,0.870125419779316,0.8742097011856624
EOS-4-01611,O=C(c1ccc(-c2cncc3nnc(-c4cc(Cl)c(F)cc4F)n23)c(F)c1)N1CCCCC1,NIESRJOYMJLNCU-UHFFFAOYSA-N,4,1,0.392,0,21,471.87,5.155,5,0.387,0.87,0.998,0.2696182578301693,0.36388013158796517,0.252835652114317,0.6809420190528408,0.3918190151463231
EOS-4-01612,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccncn5)c(F)c4)n23)ccc1F,WBHWMSAAAIQCKL-UHFFFAOYSA-N,4,1,0.511,4,702,442.389,3.372,5,0.407,0.66,1.0,0.8493763278733466,0.8396443012816119,0.8079295456103077,0.7669796449866356,0.8159824549379755
EOS-4-01613,Fc1cc(F)nc(COc2cncc3nnc(-c4cc(C5CCC5)cnc4F)n23)c1,RPTFDNGYMAKRFV-UHFFFAOYSA-N,4,1,0.489,90,555,412.375,3.845,5,0.464,0.67,0.986,0.5559762867521074,0.7283856486875471,0.5606880954012747,0.6979901994380098,0.6357600575697347
EOS-4-01614,COCc1cccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)n1,KTPLMKHAFHQIMS-UHFFFAOYSA-N,4,1,0.558,57,709,459.456,4.857,5,0.346,0.75,1.0,0.8649595641148653,0.8021383044342403,0.9036135288876704,0.8715389623740663,0.8605625899527106
EOS-4-01615,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,ZPIDFPDQCQFUMH-UHFFFAOYSA-N,4,1,0.529,58,28,447.861,4.057,5,0.362,0.74,1.0,0.9041189774518539,0.9105099033650881,0.6208364745390994,0.657442944280721,0.7732270749091905
EOS-4-01616,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,GCUHTAFFTPPDSV-UHFFFAOYSA-N,4,1,0.819,48,305,401.348,3.548,4,0.472,0.75,1.0,0.991981358371599,0.9912360359125488,0.9143478856829552,0.889700842985402,0.9468165307381262
EOS-4-01617,Fc1ccccc1-c1cnc(COCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nn1,SWTIZIQMJHHXQM-UHFFFAOYSA-N,4,1,0.406,14,476,464.411,3.832,5,0.358,0.65,1.0,0.482514906449181,0.6467771228839696,0.6697364813926393,0.6691110958810226,0.6170349016517032
EOS-4-01618,COc1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1-c1ccc(F)nn1,LMUWEDZVJMPBME-UHFFFAOYSA-N,4,1,0.477,16,980,465.395,3.648,5,0.375,0.68,1.0,0.9202247961071893,0.8216109245425263,0.8389332465218285,0.764598039887602,0.8363417517647865
EOS-4-01620,COc1c(-c2cncnn2)ccc(-c2nnc3cncc(Cc4ccc(C(F)F)nn4)n23)c1F,OKYYVDOGTAIMFG-UHFFFAOYSA-N,4,1,0.343,85,476,465.399,3.109,5,0.373,0.57,1.0,0.5869542868891783,0.5280566787745871,0.6322904530189843,0.5285535604139538,0.5689637447741759
EOS-4-01621,Fc1ccc(COc2cncc3nnc(-c4cc(F)c(-c5ccnc(Cl)c5)cn4)n23)nc1,FHGQHCFNUOKWJC-UHFFFAOYSA-N,4,1,0.467,46,267,451.824,4.154,5,0.371,0.68,0.999,0.6654444520594888,0.7426153108080323,0.8468319512027962,0.8682749640189158,0.7807916695223083
EOS-4-01622,Cc1cnnc(-c2ccc(-c3nnc4cncc(COc5ccc(F)cc5F)n34)cc2F)n1,WGZZBLBTTBFBBJ-UHFFFAOYSA-N,4,1,0.408,14,189,449.396,3.948,5,0.401,0.63,1.0,0.7015369063121102,0.7640497566993352,0.8159824549379755,0.8039973271194572,0.7713916112672196
EOS-4-01623,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)ccnc1Cl,JHYZVUJXOBXVCI-UHFFFAOYSA-N,4,1,0.547,35,698,447.861,4.057,5,0.362,0.67,1.0,0.8302292509080941,0.9182629703241725,0.7332173942841478,0.7386659584675485,0.8050938934959907
EOS-4-01624,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5ccncc5)nc4)n23)cc1,AIHQCBKQGNBVBT-UHFFFAOYSA-N,4,1,0.662,97,232,414.856,4.481,5,0.422,0.86,1.0,0.917423411692139,0.9437924062778426,0.7976749366047563,0.808100884106641,0.8667479096703448
EOS-4-01625,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(F)c1F,NCVDORPEBCQIQE-UHFFFAOYSA-N,4,1,0.692,23,721,461.831,3.843,4,0.472,0.75,1.0,0.8716846000959496,0.8021468713590569,0.9273096429305736,0.9073315742581043,0.8771181721609211
EOS-4-01626,Fc1cc(F)c(F)c(CNCc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c1,BXZLAKLZQGLJAK-UHFFFAOYSA-N,4,1,0.349,47,291,454.391,3.423,5,0.302,0.65,1.0,0.41874271811390584,0.49146734288259886,0.9002295935850867,0.90055513672812,0.6777486978274279
EOS-4-01627,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccns5)cc4)n23)cc1F,PFSUYDRWQLELQL-UHFFFAOYSA-N,4,1,0.791,57,326,421.432,4.772,5,0.409,0.77,1.0,0.9610204920841615,0.8947638955520526,0.9181430333767391,0.9097303132067713,0.9209144335549311
EOS-4-01628,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5ccnnc5)c4)n23)c1F,CXUGTZMBGKIFNC-UHFFFAOYSA-N,4,1,0.494,2,884,417.379,3.501,5,0.432,0.72,1.0,0.6866989925296415,0.6711071893633062,0.87502570077445,0.8568124186142142,0.772411075320403
EOS-4-01629,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,VIFZAYFELDMBBE-UHFFFAOYSA-N,4,1,0.558,11,275,446.873,4.662,5,0.377,0.71,1.0,0.9361935439654582,0.9514341032143102,0.812255842642725,0.8446902199986293,0.8861434274552806
EOS-4-01630,Fc1ccc(-c2nc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)ccc2F)nn1,GAVOMJBSGJPEBV-UHFFFAOYSA-N,4,1,0.383,46,564,454.347,3.174,5,0.373,0.56,0.935,0.7412274689877322,0.6467856898087863,0.7666798026180522,0.7836851483791378,0.7345945274484271
EOS-4-01631,Fc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1nncs1,OKOQGRFPVOPTBQ-UHFFFAOYSA-N,4,1,0.531,34,629,456.865,4.82,5,0.377,0.71,1.0,0.9174319786169557,0.944914673428826,0.8862997738331848,0.9130028784867384,0.9154123260914263
EOS-4-01632,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1ccncn1,NNAWJUDAWULGQH-UHFFFAOYSA-N,4,1,0.484,4,675,442.389,3.372,5,0.381,0.67,1.0,0.8071156877527242,0.8062418614214242,0.8372969638818449,0.8040058940442739,0.8136651017750668
EOS-4-01633,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)c(F)c1,GTJMQZZHIZIOKU-UHFFFAOYSA-N,4,1,0.542,23,627,431.349,3.286,4,0.388,0.81,1.0,0.8890069220752519,0.7332345281337811,0.9459769721060928,0.9130114454115551,0.8703074669316703
EOS-4-01634,FC(F)(F)c1noc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2)n1,BIHIDADEWUKLPO-UHFFFAOYSA-N,4,1,0.489,27,208,474.79,3.883,5,0.374,0.71,1.0,0.7532125968062504,0.7854756356658213,0.7356846686313481,0.6047991912822973,0.7197930230964293
EOS-4-01635,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cccnn5)c(F)c4)n23)c1,BYRJRFRCSJLIRW-UHFFFAOYSA-N,4,1,0.518,16,89,417.379,3.501,5,0.432,0.73,1.0,0.9024998286615037,0.7469673086148996,0.8057792474813241,0.7953018984305393,0.8126370707970667
EOS-4-01636,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccccn5)c(F)cc4Cl)n23)nn1,MKZCQQSTORWUJC-UHFFFAOYSA-N,4,1,0.517,34,799,451.824,4.154,5,0.396,0.64,1.0,0.677763689945857,0.8328421629771777,0.7953275992049894,0.8329535329997944,0.7847217462819547
EOS-4-01637,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cc2F)o1,AEXSLQYADXOOIK-UHFFFAOYSA-N,4,1,0.512,34,629,470.823,4.361,5,0.361,0.74,1.0,0.9215612363785896,0.8868480570214515,0.7976835035295731,0.7836937153039545,0.8474466280583921
EOS-4-01638,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(C(F)(F)F)nn4)n23)cc1F,FSCAGHGDOCSZCC-UHFFFAOYSA-N,4,1,0.388,66,225,432.341,2.45,4,0.464,0.81,1.0,0.2483551504351998,0.24426016037283257,0.8159910218627922,0.6257196216846,0.4835814885888561
EOS-4-01639,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12,UORJFVPBJZVKIX-UHFFFAOYSA-N,4,1,0.5,13,724,442.838,5.034,5,0.388,0.74,1.0,0.6211106161332328,0.7769172777739702,0.9025083955863203,0.9153073812624221,0.8039609176889864
EOS-4-01640,COc1c(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc(F)c1-c1ccncc1,QJUIHCJHKVXJIN-UHFFFAOYSA-N,4,1,0.571,35,982,460.444,4.157,5,0.36,0.71,1.0,0.842402851072579,0.6857394969501748,0.8159995887876088,0.7465560962236996,0.7726745082585155
EOS-4-01641,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ccn4)n23)ccc1Cl,PYNGIZSWJYKBEX-UHFFFAOYSA-N,4,1,0.553,73,82,458.844,3.886,5,0.389,0.67,1.0,0.8716931670207663,0.9337177026934411,0.7953361661298061,0.797452196559523,0.8495498081008842
EOS-4-01642,Clc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cccnn5)n4)n23)c(Cl)c1,VBQXPXFYWPZRTP-UHFFFAOYSA-N,4,1,0.366,45,358,468.735,5.194,5,0.361,0.7,0.999,0.33733123158111167,0.5373003906517716,0.7618223562470016,0.8980021931327531,0.6336140429031595
EOS-4-01643,Fc1cc(-c2ccc(-c3nnc4cncc(COc5cccnc5)n34)cn2)c(F)cn1,URHLVOWSXAJDLC-UHFFFAOYSA-N,4,1,0.4,14,767,417.379,3.501,5,0.404,0.84,1.0,0.6322561853197176,0.6370279624426016,0.7570762798985676,0.7277945308751971,0.6885387396340209
EOS-4-01644,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)ccn2)cn1,KUVBUDYGJNGGCE-UHFFFAOYSA-N,4,1,0.474,75,525,449.396,3.682,5,0.365,0.63,1.0,0.8628863683092317,0.8707422383661161,0.785098690973888,0.7791875128503872,0.8244787026249057
EOS-4-01645,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)c(F)n1,JHMDRWGNKLBPMI-UHFFFAOYSA-N,4,1,0.476,55,143,441.785,3.747,5,0.38,0.66,1.0,0.8377681447467618,0.7727023507641697,0.7305273798917141,0.7306130491398808,0.7679027311356317
EOS-4-01646,N#Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)cn1,DVPZTPUNCFWOON-UHFFFAOYSA-N,4,1,0.568,35,234,438.426,3.276,5,0.397,0.71,1.0,0.965261119868412,0.952496401891577,0.672375094236173,0.6345521211705846,0.8061711842916867
EOS-4-01647,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCCc5ccncc5)n34)c(F)c2)nn1,XKXJWLMHVOEQES-UHFFFAOYSA-N,4,1,0.506,72,386,445.433,3.933,5,0.351,0.74,1.0,0.8693629634706326,0.8707508052909327,0.641816873415119,0.6491330272085533,0.7577659173463094
EOS-4-01649,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1F,JPVBDUXYQIQAGS-UHFFFAOYSA-N,4,1,0.561,97,300,424.399,3.233,5,0.422,0.72,1.0,0.9418819820437255,0.8559642930573641,0.6723836611609897,0.5929854019601124,0.7658038345555479
EOS-4-01650,Fc1cncc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,YOEHSYHNCJAKBW-UHFFFAOYSA-N,4,1,0.512,2,980,438.875,4.681,5,0.396,0.74,1.0,0.8044599410595573,0.7332430950585977,0.7953447330546227,0.8209598382564595,0.7885019018573094
EOS-4-01651,Fc1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1cnco1,WYMVBRUXIWUDGF-UHFFFAOYSA-N,4,1,0.518,88,490,438.369,3.88,5,0.397,0.76,1.0,0.9465937906928928,0.8431310396819958,0.8452299362620793,0.8389760811459118,0.8684827119457199
EOS-4-01652,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccnc(-c4cncnc4)c3)n12,XZAIMPLEPPMFAY-UHFFFAOYSA-N,4,1,0.548,65,559,432.394,2.938,5,0.403,0.64,1.0,0.7649150161058187,0.7239565485573298,0.6293776985813172,0.604807758207114,0.680764255362895
EOS-4-01653,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)c2)nc1,UDMMCXMUXVEKAU-UHFFFAOYSA-N,4,1,0.433,46,267,451.824,4.154,5,0.396,0.68,1.0,0.5985453361661298,0.6227383318483997,0.7828884243711877,0.8209684051812761,0.7062851243917484
EOS-4-01654,N#Cc1cc(-c2nnc3cncc(COc4ccncc4F)n23)ccc1-c1ccccn1,WOYKJOOKEXTDOL-UHFFFAOYSA-N,4,1,0.396,14,189,423.411,3.838,5,0.423,0.7,1.0,0.7904530189843054,0.70063737920636,0.8306061956000275,0.795310465355356,0.7792517647865123
EOS-4-01655,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3F)n12,LMFZHYUWRMRTMO-UHFFFAOYSA-N,4,1,0.518,58,28,431.406,3.543,5,0.38,0.67,1.0,0.8852546090055514,0.8762764717976835,0.5640548968542252,0.5549482557741073,0.7201335583578918
EOS-4-01657,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)nc1Cl,SHYMZGISLINXTF-UHFFFAOYSA-N,4,1,0.667,23,385,465.138,4.877,4,0.394,0.78,1.0,0.9838256459461312,0.9830460557878145,0.8287214721403605,0.8952522102666027,0.9227113460352272
EOS-4-01658,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,UJYKKEUBURUOEJ-UHFFFAOYSA-N,4,1,0.46,59,332,433.834,4.015,5,0.413,0.7,1.0,0.7380148721814818,0.755671304228634,0.8038516893975739,0.832962099924611,0.7826249914330752
EOS-4-01659,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)c2)nc1,KVNUTRWACMRYER-UHFFFAOYSA-N,4,1,0.462,2,422,435.369,3.64,5,0.389,0.67,1.0,0.6211191830580495,0.7147899390034953,0.832293879788911,0.8267596463573436,0.7487406620519499
EOS-4-01660,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5F)n34)ccn2)cc1F,OHLKAJPTDQBPDR-UHFFFAOYSA-N,4,1,0.447,75,577,465.851,4.462,5,0.354,0.56,1.0,0.8071242546775409,0.7936998834898225,0.8695000342676993,0.8465663765334795,0.8292226372421355
EOS-4-01661,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)nc3Cl)n12,PGZQAUJQCYDJMA-UHFFFAOYSA-N,4,1,0.512,35,143,447.861,4.057,5,0.362,0.74,1.0,0.8737406620519498,0.9237629360564732,0.6753820848468234,0.7063258172846275,0.7948028750599685
EOS-4-01662,NC(=O)c1ccc(-c2nnc3cncc(CNc4cc(Cl)c(F)cc4F)n23)cc1F,CLBICUODYICYJG-UHFFFAOYSA-N,4,1,0.411,23,678,432.793,3.573,4,0.47,0.84,1.0,0.3881159618943184,0.4735796038653965,0.9181516003015557,0.912086217531355,0.6729833458981564
EOS-4-01663,Fc1cc(-c2ncccc2F)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,HOUPPAVRWLBMNP-UHFFFAOYSA-N,4,1,0.489,34,799,451.824,4.154,5,0.396,0.71,1.0,0.8201374134740593,0.8762850387225002,0.7870433829072716,0.8267682132821602,0.8275585120964979
EOS-4-01664,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cc(Cl)n2)nc1,PNSIRYGKMQQHPE-UHFFFAOYSA-N,4,1,0.5,73,930,470.802,3.688,5,0.358,0.65,0.956,0.6411143855801521,0.7977948735521897,0.7123055308066616,0.7567336029059009,0.7269870982112261
EOS-4-01665,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1Cl,MVNXKDCEJLMNDD-UHFFFAOYSA-N,4,1,0.767,91,781,451.914,5.329,5,0.349,0.74,1.0,0.9712579672400795,0.9682424097046124,0.8896580083613186,0.8952607771914194,0.9311047906243575
EOS-4-01666,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)ccc1-c1cncnc1,GEIAYMKQMWCFFC-UHFFFAOYSA-N,4,1,0.376,14,291,461.888,4.662,5,0.393,0.79,1.0,0.40315091494757044,0.3782896991296004,0.8637687615653485,0.8170019189911589,0.6155528236584196
EOS-4-01667,Cc1cnc(-c2cc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)ncn2)cn1,MJILLNYJBPOGNL-UHFFFAOYSA-N,4,1,0.37,46,971,452.812,4.071,5,0.402,0.6,1.0,0.7532211637310671,0.6615208004934549,0.7020851895003769,0.7063343842094442,0.7057903844835858
EOS-4-01668,C#CCCCCOc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1Cl,CRHXZJAPRZOZFU-UHFFFAOYSA-N,4,1,0.551,63,548,447.926,4.644,4,0.26,0.72,1.0,0.7705006510862861,0.7812350078815709,0.5136642450825851,0.5250753889383867,0.6476188232472072
EOS-4-01669,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(Cl)nc3)n12,CWRWQROPDCFZGJ-UHFFFAOYSA-N,4,1,0.571,90,281,405.22,3.649,4,0.472,0.63,1.0,0.9160869714207388,0.9618857514906449,0.8306147625248441,0.8841923103282846,0.8981949489411281
EOS-4-01670,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4Cl)n23)ccn1,ACJCKYCHXNKRTE-UHFFFAOYSA-N,4,1,0.529,35,143,447.861,4.057,5,0.362,0.76,1.0,0.9174405455417723,0.9323726954972243,0.666960797752039,0.692618737577959,0.8023481940922487
EOS-4-01671,OCc1cc(-c2ncc(F)cn2)cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c1,XETMKPZGUPHQRM-UHFFFAOYSA-N,4,1,0.506,16,82,463.86,3.507,5,0.381,0.65,1.0,0.822801727092043,0.6370365293674183,0.7618309231718182,0.7306216160646974,0.7380726989239943
EOS-4-01672,FC(F)COc1ncc(-c2nnc3cncc(-c4ccc(-c5ccncn5)cc4)n23)cn1,IPOWWTVJOUBVKJ-UHFFFAOYSA-N,4,1,0.3,82,478,432.394,3.349,5,0.402,0.75,1.0,0.47774312932629703,0.4115465012679049,0.6561493386334042,0.5711054759783428,0.5291361113014872
EOS-4-01673,Fc1cc(-c2ncc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nn2)cc(F)n1,RCGNKRWNDOCITB-UHFFFAOYSA-N,4,1,0.405,85,476,453.363,3.24,5,0.295,0.6,1.0,0.3858028921938181,0.4914759098074155,0.6860821739428414,0.67500514015489,0.5595915290247413
EOS-4-01674,Fc1ccc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)nn5)n34)c2)nc1,UFUPSDBWVGZGJJ-UHFFFAOYSA-N,4,1,0.529,34,799,435.369,3.64,5,0.416,0.62,1.0,0.6322647522445343,0.6907168802686587,0.8122644095675416,0.8189637447741759,0.7385524467137276
EOS-4-01675,Fc1ccc(-c2cnc(-c3cncc4nnc(-c5ccc(COC(F)F)cc5)n34)nc2)nn1,XYUSDLCVVVNQAO-UHFFFAOYSA-N,4,1,0.361,74,121,450.384,3.584,5,0.387,0.63,0.752,0.49472277431293266,0.632144815297101,0.8160081557124255,0.7859725173051881,0.6822120656569117
EOS-4-01676,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)cnn1,PGRRZEZPELBTTO-UHFFFAOYSA-N,4,1,0.477,72,208,452.812,3.549,5,0.399,0.63,1.0,0.7848673840038379,0.9084110067850044,0.7407819888972654,0.7814063463779042,0.803866681516003
EOS-4-01677,Fc1cc(-c2nnc3cncc(COc4ccc(Cl)cn4)n23)ccc1-c1ncccn1,CXSIGOKFEXXMAX-UHFFFAOYSA-N,4,1,0.402,14,767,433.834,4.015,5,0.413,0.74,1.0,0.7107720512644781,0.7640583236241518,0.6860907408676582,0.6979987663628264,0.7147299705297787
EOS-4-01678,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4F)n23)c1F,YDLCXYSCECVADH-UHFFFAOYSA-N,4,1,0.462,35,143,449.396,3.682,5,0.365,0.63,1.0,0.7705092180111027,0.8733380165855664,0.7279658693715304,0.7334058666301144,0.7763047426495786
EOS-4-01679,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cc(-c4ccsc4)ccn3)n12,MPDISXCKEPXMGR-UHFFFAOYSA-N,4,1,0.435,59,332,437.887,5.286,5,0.374,0.82,1.0,0.7261839490096635,0.6370450962922349,0.8814508943869509,0.9085909122061545,0.788317712973751
EOS-4-01680,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1-c1ncc(Cl)nn1,HZCHSTJMXHGAGV-UHFFFAOYSA-N,4,1,0.53,59,772,469.267,4.063,5,0.355,0.63,1.0,0.9160955383455555,0.9438009732026592,0.7071225412925776,0.7814149133027208,0.8371084915358783
EOS-4-01681,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4)n23)cc1F,BBNKHQPHDDQEBP-UHFFFAOYSA-N,4,1,0.622,59,293,424.342,3.838,5,0.396,0.68,1.0,0.9228805428003564,0.8021554382838736,0.9181601672263724,0.8980107600575697,0.8853017270920431
EOS-4-01682,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)nnc1Cl,CNKGGQMOFZTYMK-UHFFFAOYSA-N,4,1,0.645,23,281,439.665,4.302,4,0.461,0.75,1.0,0.9561544787882942,0.9785141525597971,0.846840518127613,0.9300767596463574,0.9278964772805155
EOS-4-01683,N#Cc1cc(-c2nnc3cncc(OCc4ccccc4F)n23)ccc1-c1ccoc1,UMCRMOBPMPYYNP-UHFFFAOYSA-N,4,1,0.537,1,521,411.396,4.641,5,0.419,0.76,1.0,0.940065793982592,0.8216194914673429,0.9413336988554588,0.9334692618737578,0.9091220615447879
EOS-4-01684,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4cncnc4-c4ncccn4)n23)c1,KGRSKVQVSFGZKL-UHFFFAOYSA-N,4,1,0.522,84,262,448.849,3.452,5,0.389,0.69,1.0,0.8327907614282777,0.8328507299019944,0.4788910972517305,0.5645946131176752,0.6772818004249195
EOS-4-01685,Fc1cc(-c2ccc(-c3nnc4cncc(COc5ccncc5F)n34)cn2)ccn1,ALEIFFVPKAWXTP-UHFFFAOYSA-N,4,1,0.375,14,767,417.379,3.501,5,0.404,0.76,1.0,0.6239120005482832,0.6272445343019669,0.7805667877458707,0.7437889795079159,0.6938780755260092
EOS-4-01688,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5cc(F)ccn5)c4)n23)ccc1F,ASHZBBNUHYEJHM-UHFFFAOYSA-N,4,1,0.535,24,912,442.389,3.372,5,0.407,0.66,1.0,0.6957199643615928,0.7006459461311767,0.7381176752792817,0.7092557055719279,0.7109348228359947
EOS-4-01689,Fc1cnc(-c2cc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)c(F)cn2)nc1,OXHFLMZSUINIML-UHFFFAOYSA-N,4,1,0.355,42,106,465.427,4.046,6,0.384,0.69,1.0,0.3557843876362141,0.39702556370365294,0.5100147351106846,0.564603180042492,0.4568569666232609
EOS-4-01690,FC(F)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)nc1,HAFFXVHBBKSIFK-UHFFFAOYSA-N,4,1,0.316,66,455,407.306,3.524,4,0.482,0.64,0.889,0.29937118771845656,0.3735264889315331,0.9716349119320129,0.9353796861078747,0.6449780686724693
EOS-4-01691,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)nc5)n34)cc2F)nc1,YQGLQOJJNOXFQG-UHFFFAOYSA-N,4,1,0.556,73,82,496.275,4.263,5,0.336,0.68,1.0,0.9554091563292441,0.8790264546638339,0.7912154752929889,0.7695582893564527,0.8488023439106298
EOS-4-01692,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)cc1F,ZSCUMCQPXWQMBX-UHFFFAOYSA-N,4,1,0.598,88,876,456.359,4.019,5,0.282,0.64,1.0,0.9381639366732918,0.8762936056473168,0.9329809471592078,0.9247824001096566,0.9180552223973683
EOS-4-01693,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccccn1,FVJUBHGQUFEHEZ-UHFFFAOYSA-N,4,1,0.63,11,201,412.428,4.009,5,0.419,0.79,1.0,0.9616715783702282,0.9275752175998904,0.7020937564251936,0.6895346446439586,0.8202187992598178
EOS-4-01695,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)ccc1Cl,CDUCJWOADCYADM-UHFFFAOYSA-N,4,1,0.542,90,385,450.713,4.26,4,0.442,0.69,0.998,0.8924165581522857,0.9256562264409568,0.8969056267562195,0.931918648481941,0.9117242649578507
EOS-4-01696,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1Cl,UVFMNDCKSYAUIK-UHFFFAOYSA-N,4,1,0.529,24,698,447.861,4.057,5,0.362,0.73,1.0,0.8945154547323693,0.932381262422041,0.661854910561305,0.6780206976903571,0.7916930813515181
EOS-4-01697,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)ccc1F,JDDVEERNNGXDFF-UHFFFAOYSA-N,4,1,0.511,24,912,442.389,3.372,5,0.407,0.71,1.0,0.7679562744157358,0.7512850387225002,0.7332259612089644,0.6953858542937427,0.7369632821602358
EOS-4-01698,CC(F)(F)c1cnc(Cc2cncc3nnc(-c4cnc(C(C)(F)F)nc4)n23)cn1,MEJDFZMYBICQFI-UHFFFAOYSA-N,4,1,0.321,68,455,418.358,3.186,4,0.46,0.7,1.0,0.26685114111438557,0.34478445617161263,0.8267596463573436,0.5452419299568227,0.49590929340004114
EOS-4-01699,Fc1ccc(COc2cncc3nnc(-c4cnc(Cl)nc4F)n23)nc1-c1cncnc1,NDNLUTVMMNPLBJ-UHFFFAOYSA-N,4,1,0.457,7,435,453.8,2.944,5,0.292,0.67,1.0,0.6867075594544583,0.7812435748063875,0.49955451990953326,0.5285621273387705,0.6240169453772874
EOS-4-01700,O=C(c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1)N1CCC(F)(F)C1,NLRZXICYEKBWTK-UHFFFAOYSA-N,4,1,0.506,0,901,471.414,4.541,5,0.4,0.89,1.0,0.4140908779384552,0.4693475430059626,0.7551144541155507,0.842788362689329,0.6203353094373244
EOS-4-01701,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(C#N)n4)n23)ccc1Cl,COTGDEAJMNGZMX-UHFFFAOYSA-N,4,1,0.549,90,636,436.262,3.858,4,0.467,0.74,0.999,0.9537043382907272,0.9716948804057296,0.8762507710232335,0.9005637036529367,0.9255534233431568
EOS-4-01702,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)cn1,QKHXQLZMMHFVGD-UHFFFAOYSA-N,4,1,0.462,55,390,452.812,3.549,5,0.373,0.61,0.953,0.735222054691248,0.9145020903296552,0.6418254403399356,0.6780292646151738,0.7423947124940031
EOS-4-01703,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,UKPSDKDDWDDOBY-UHFFFAOYSA-N,4,1,0.465,55,540,418.367,2.896,5,0.402,0.64,1.0,0.8228102940168597,0.742623877732849,0.6117212665341649,0.577367898019327,0.6886308340758002
EOS-4-01704,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)ncc1F,KLXFSJGFPFBZJX-UHFFFAOYSA-N,4,1,0.545,35,161,463.423,3.991,5,0.376,0.7,1.0,0.9590586663011446,0.9449232403536426,0.7593893495990679,0.72524158727983,0.8471532108834213
EOS-4-01705,Fc1cnccc1COc1cncc2nnc(-c3ccc(Cl)nc3-c3ncccn3)n12,DADYYWNRSSGPNA-UHFFFAOYSA-N,4,1,0.46,55,242,434.822,3.41,5,0.387,0.7,0.991,0.8961089027482695,0.9039133712562538,0.48242067027619767,0.5384226578027551,0.705216400520869
EOS-4-01706,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccnc(F)c5)c4)n23)ccn1,NHFKWBRWXNMUBN-UHFFFAOYSA-N,4,1,0.562,75,278,431.406,3.543,5,0.38,0.69,1.0,0.879617572476184,0.7769258446987869,0.7528784867384004,0.7172572133506956,0.7816697793160168
EOS-4-01707,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc(F)ncn5)cc4)n23)ccn1,VBBNDNAWFWKHNB-UHFFFAOYSA-N,4,1,0.56,11,626,431.406,3.543,5,0.3,0.69,1.0,0.962271263107395,0.9410766911109588,0.7618394900966349,0.7172657802755124,0.8456133061476253
EOS-4-01708,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)nc1,CLEKZZSTPGJFKN-UHFFFAOYSA-N,4,1,0.565,73,141,465.851,4.196,5,0.371,0.69,1.0,0.9641131519429785,0.9593927763689946,0.7356932355561647,0.7718627921321363,0.8577654890000685
EOS-4-01709,CNCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1Cl,JTHISAFFXOWYCI-UHFFFAOYSA-N,4,1,0.775,48,231,428.323,4.439,4,0.472,0.84,1.0,0.9400743609074087,0.8176615722020424,0.8906860393393188,0.9040761428277705,0.8881245288191351
EOS-4-01710,O=C(NC1CC1F)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cc1,JXIFXBTUIGXJRJ-UHFFFAOYSA-N,4,1,0.432,66,264,456.403,3.636,5,0.464,0.57,0.999,0.272359673771503,0.3970341306284696,0.9670944417791789,0.907340141182921,0.6359570968405182
EOS-4-01711,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,SLPUWFDHBSFYBC-UHFFFAOYSA-N,4,1,0.582,35,982,412.428,4.009,5,0.419,0.79,1.0,0.9508258515523268,0.9449318072784594,0.7713402097183195,0.7541206908368172,0.8553046398464808
EOS-4-01712,Fc1ccc(Cl)cc1-c1cncnc1-c1nnc2cncc(-c3ccc4c(n3)CCC4)n12,IBJFULPEMYLQNL-UHFFFAOYSA-N,4,1,0.309,44,140,443.873,4.592,6,0.405,0.68,0.31,0.38121102049208416,0.47358817079021315,0.3293811253512439,0.6316736344321843,0.45396348776643136
EOS-4-01713,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1)N1CC(F)C1,XXDXPLNMBSLAJO-UHFFFAOYSA-N,4,1,0.573,66,345,454.412,3.172,5,0.445,0.79,1.0,0.6043537111918306,0.6907254471934754,0.4720118566239463,0.554956822698924,0.580511959427044
EOS-4-01714,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccnnc1F,GJUHGHSJPPKUHW-UHFFFAOYSA-N,4,1,0.512,72,208,452.812,3.549,5,0.399,0.52,1.0,0.864968131039682,0.927583784524707,0.7481495442395998,0.7765831677061202,0.8293211568775273
EOS-4-01716,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cccc(-c6ccnc(F)n6)c5)n34)cn2)n1,LVQVXAYXFXSUPU-UHFFFAOYSA-N,4,1,0.289,32,20,464.439,4.651,6,0.277,0.66,1.0,0.28037831539990404,0.37829826605441713,0.7481581111644164,0.7491861421424165,0.5390052086902886
EOS-4-01717,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cnc1-c1ncccn1,GBSLFDVKLWEJLE-UHFFFAOYSA-N,4,1,0.471,55,242,434.822,3.41,5,0.387,0.56,1.0,0.8693715303954492,0.9014889315331369,0.5067764375299842,0.5420893016242889,0.7049315502707149
EOS-4-01718,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(F)nc(F)n5)n34)ccn2)ccn1,ZWOFRXUHHJIGSL-UHFFFAOYSA-N,4,1,0.484,75,278,450.384,3.077,5,0.221,0.65,1.0,0.8351895003769447,0.7812521417312042,0.6148139263929819,0.589875608251662,0.7052827941881982
EOS-4-01719,C#Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1Cl,CEBSWABYLNOSMW-UHFFFAOYSA-N,4,1,0.628,90,636,410.264,4.096,4,0.366,0.66,1.0,0.9418905489685423,0.968250976629429,0.9057466931670207,0.9227777397025564,0.9346664896168871
EOS-4-01721,COCc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,MNGKUKXYWQDVLC-UHFFFAOYSA-N,4,1,0.712,90,281,415.375,3.372,4,0.461,0.76,1.0,0.860530463984648,0.8465749434582962,0.8762593379480502,0.8446987869234459,0.8570158830786101
EOS-4-01722,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cn2)ccn1,ZMNBAAWPUHEAKQ-UHFFFAOYSA-N,4,1,0.49,87,699,449.396,3.682,5,0.365,0.61,1.0,0.7988400383798232,0.9063977794530875,0.7805753546706874,0.7742443972311699,0.8150143924336919
EOS-4-01723,Fc1ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5nccs5)n4)n23)c(F)c1,JGJBDLJHYCUKSK-UHFFFAOYSA-N,4,1,0.398,13,971,426.383,4.519,5,0.421,0.73,1.0,0.6529710095264204,0.7283942156123638,0.7457165375916661,0.7929459941059557,0.7300069392091015
EOS-4-01724,Fc1ccc(-c2nnc3cncc(CNc4cccc(-c5ccncc5)n4)n23)c(F)c1,VTDCZMOZMTXNRA-UHFFFAOYSA-N,4,1,0.379,14,358,415.407,4.139,5,0.465,0.81,1.0,0.15186587622507025,0.19010006168185867,0.7357018024809814,0.7306301829895141,0.4520744808443561
EOS-4-01725,N#Cc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1nccs1,YSJBCFFSQYBZIO-UHFFFAOYSA-N,4,1,0.506,43,332,462.897,5.158,5,0.358,0.74,1.0,0.9161041052703721,0.9182715372489891,0.9097217462819547,0.9174576793914057,0.9153887670481804
EOS-4-01726,FCc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1Cl,CLEKIHHVXPWZRW-UHFFFAOYSA-N,4,1,0.542,90,281,437.237,4.118,4,0.452,0.75,1.0,0.9041275443766705,0.9628452470701118,0.8160167226372421,0.8800202179425674,0.8907524330066479
EOS-4-01727,Fc1cnc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)cn2)nc1,PKLXKDBSFRAMTD-UHFFFAOYSA-N,4,1,0.707,35,166,447.861,4.057,5,0.387,0.73,1.0,0.9866441642108149,0.9907905558220821,0.6088170790213145,0.6604842025906381,0.8116840004112125
EOS-4-01729,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,HVNBVYDMTRFQSJ-UHFFFAOYSA-N,4,1,0.662,84,166,447.861,4.057,5,0.387,0.74,1.0,0.9328438763621411,0.9535758344184772,0.6117298334589816,0.6574515112055377,0.7889002638612843
EOS-4-01730,N#Cc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)cc1F,XVVKGNYZXAHNHP-UHFFFAOYSA-N,4,1,0.483,51,196,458.844,3.886,5,0.389,0.62,1.0,0.9041361113014872,0.8591169213898979,0.7851072578987047,0.7974607634843397,0.8364552635186074
EOS-4-01731,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)ccc1Cl,BAYZUUIDLIQNTA-UHFFFAOYSA-N,4,1,0.649,23,86,404.232,4.254,4,0.498,0.82,1.0,0.9448804057295593,0.9381896374477418,0.9057552600918375,0.9413593996299089,0.932546175724762
EOS-4-01732,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4Cl)n23)cc1F,LMWKHHYBRNOYGA-UHFFFAOYSA-N,4,1,0.343,96,648,461.844,3.932,5,0.42,0.74,1.0,0.5254351997806868,0.5513501473511069,0.7071311082173943,0.6780378315399904,0.6154885717222947
EOS-4-01733,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)nnc1Cl,QMBCCBFLZIBQLZ-UHFFFAOYSA-N,4,1,0.472,13,251,451.824,4.676,5,0.392,0.7,1.0,0.7442858611472826,0.8620125419779316,0.8122729764923583,0.8329706668494278,0.81288551161675
EOS-4-01734,Fc1ccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5nccs5)c4)n23)cc1F,YGZUTTMJHQUOCH-UHFFFAOYSA-N,4,1,0.662,59,294,456.865,4.82,5,0.353,0.7,1.0,0.920233363032006,0.8894524021657186,0.8503700911520801,0.8682835309437325,0.8820848468233843
EOS-4-01735,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccc1Cl,SJHIOSBGAWHGKK-UHFFFAOYSA-N,4,1,0.646,90,281,411.252,3.986,4,0.462,0.71,1.0,0.9430385168939758,0.9754643273250634,0.9077856212733877,0.9269412651634569,0.9383074326639709
EOS-4-01736,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)c(F)cn1,BMKFEAWWMZXACP-UHFFFAOYSA-N,4,1,0.46,55,143,441.785,3.747,5,0.38,0.65,1.0,0.8254146391611267,0.7978034404770064,0.7735933109451032,0.7742529641559865,0.7927660886848058
EOS-4-01737,C#Cc1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)ccc1Cl,JQHAGRUIPCHPIW-UHFFFAOYSA-N,4,1,0.59,90,708,440.688,4.163,4,0.446,0.66,1.0,0.7169573709821122,0.9124888629977383,0.8814594613117676,0.887122198615585,0.8495069734768008
EOS-4-01738,Fc1ccc(OCc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c(F)c1,USUJLKGVIQFAHY-UHFFFAOYSA-N,4,1,0.456,14,189,421.432,4.772,5,0.409,0.73,1.0,0.6498954835172367,0.6954372558426427,0.8969141936810363,0.8871307655404016,0.7823444246453294
EOS-4-01739,Cc1ncccc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccn1,HSJIOSHTQCZGRD-UHFFFAOYSA-N,4,1,0.675,59,294,430.418,4.414,5,0.411,0.73,1.0,0.914793365773422,0.797812007401823,0.8750342676992666,0.8329792337742444,0.855154718662189
EOS-4-01740,Fc1ncc(-c2ccc(-c3nnc4cncc(COc5ccccn5)n34)cc2)nc1F,GSZMARLHCSYBDV-UHFFFAOYSA-N,4,1,0.396,14,351,417.379,3.501,5,0.432,0.66,1.0,0.6156192173257488,0.6663097114659722,0.6504094990062367,0.5898841751764786,0.6305556507436091
EOS-4-01741,Cc1nccc(Oc2ccc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)cc2)n1,GTRCVUGROBRRKU-UHFFFAOYSA-N,4,1,0.354,96,586,439.866,4.874,5,0.393,0.78,1.0,0.6558923308889041,0.7978205743266397,0.852023507641697,0.8287985744637105,0.7836337468302379
EOS-4-01742,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1ccsc1,NXMGXBSJMBIMNF-UHFFFAOYSA-N,4,1,0.529,97,103,466.925,5.9,5,0.312,0.7,1.0,0.9603265711740113,0.8923394558289356,0.9469536015351929,0.9311476252484409,0.9326918134466451
EOS-4-01743,Fc1cccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,CCPDYFHRDVJTSG-UHFFFAOYSA-N,4,1,0.77,48,305,401.348,3.548,4,0.441,0.79,1.0,0.9889143992872319,0.9882461791515318,0.9014032622849701,0.8682920978685491,0.9367139846480708
EOS-4-01744,Fc1ccc(-c2cc(-c3nnc4cncc(Br)n34)ccc2Cl)nn1,MGZOOUDVWJYDEI-UHFFFAOYSA-N,4,1,0.621,22,861,405.618,3.803,4,0.507,0.85,1.0,0.4031594818723871,0.6087485436227812,0.8140034953053252,0.8924079912274689,0.6795798780069906
EOS-4-01745,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(F)c2)ccn1,YFMVSIQGYWKOHE-UHFFFAOYSA-N,4,1,0.536,35,795,431.406,3.543,5,0.38,0.74,1.0,0.8173702967582757,0.8868566239462683,0.6352631759303681,0.6491415941333699,0.7471579226920705
EOS-4-01746,OCc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)cn2)nc1,VMMCFEHYVUVRSV-UHFFFAOYSA-N,4,1,0.462,55,283,448.393,2.388,5,0.39,0.64,1.0,0.8173788636830923,0.690734014118292,0.5510417380577068,0.4678740319374957,0.6317571619491468
EOS-4-01747,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4cncc(-c5nnco5)c4)n23)c1,DDENCICFITXSLU-UHFFFAOYSA-N,4,1,0.466,59,772,425.33,3.233,5,0.396,0.7,1.0,0.7442944280720992,0.6907425810431088,0.8287300390651772,0.8060876567747242,0.7674636762387773
EOS-4-01748,Fc1cc(-c2ncsn2)cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,RKNPJGAXWAQXGY-UHFFFAOYSA-N,4,1,0.562,59,293,440.41,4.306,5,0.405,0.62,1.0,0.7588924679597012,0.6954458227674594,0.8906946062641354,0.895269344116236,0.810075560276883
EOS-4-01749,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(F)cc5)nc4)n23)cc1F,YDHQHITWHOOLFG-UHFFFAOYSA-N,4,1,0.413,96,533,444.401,4.023,5,0.439,0.91,1.0,0.5254437667055034,0.5325800150777876,0.8340415324515112,0.7974693304091564,0.6723836611609897
EOS-4-01750,CCOc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)cc1,XWLFINLDGYZFNM-UHFFFAOYSA-N,4,1,0.588,90,636,413.84,3.999,4,0.426,0.79,1.0,0.9400829278322254,0.9438095401274759,0.7931258995271058,0.7386745253923651,0.853923223219793
EOS-4-01751,Fc1cnncc1-c1cnc(-c2ccc(-c3nnc4cncc(F)n34)c(F)c2)nc1,LAABFBYGIIRTDS-UHFFFAOYSA-N,4,1,0.562,73,575,406.331,3.123,5,0.454,0.72,1.0,0.4164125145637722,0.5899955451990954,0.8160252895620588,0.8308889041189774,0.663330563360976
EOS-4-01752,CCc1ccc(COc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)nn1,LFKCPBLOVPWUIU-UHFFFAOYSA-N,4,1,0.551,66,12,400.364,3.742,4,0.508,0.83,1.0,0.8424114179973956,0.8361061613323282,0.9230690151463231,0.8267767802069769,0.8570908436707559
EOS-4-01753,Cc1ccc(-c2nnc3cncc(OCc4cc(F)cc(-c5cccnn5)c4)n23)c(F)c1,DMVFJCKUGDPLFC-UHFFFAOYSA-N,4,1,0.523,43,433,430.418,4.414,5,0.411,0.85,1.0,0.8852631759303681,0.8790350215886505,0.8874220409841683,0.8701339867041327,0.8804635563018299
EOS-4-01754,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccnc(F)c5)c4)n23)c1,DDVPMENCLZEQBG-UHFFFAOYSA-N,4,1,0.517,75,496,431.406,3.543,5,0.38,0.75,1.0,0.867135563018299,0.7556798711534508,0.7381262422040984,0.717274347200329,0.7695540058940443
EOS-4-01755,Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(F)c5F)nn4)n23)c(F)n1,PNVQDVVMODYMKY-UHFFFAOYSA-N,4,1,0.322,22,140,435.369,4.161,5,0.392,0.7,1.0,0.5929768350352957,0.7556884380782675,0.8079381125351244,0.7883112877801385,0.7362286683572066
EOS-4-01756,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cn1,UQHMMVOAXRJMND-UHFFFAOYSA-N,4,1,0.417,66,364,402.355,4.221,4,0.468,0.69,1.0,0.4187512850387225,0.4914844767322322,0.9524364334178603,0.8858028921938181,0.6871187718456583
EOS-4-01757,Fc1cc(-c2ccncn2)cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,OTHURLDLFPNYOJ-UHFFFAOYSA-N,4,1,0.563,35,626,431.406,3.543,5,0.38,0.7,1.0,0.8539596326502639,0.7854842025906381,0.7758549790967034,0.7465646631485162,0.7904658693715304
EOS-4-01758,Fc1nccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(Cl)n2)n1,OPCRWMCLZJAEHX-UHFFFAOYSA-N,4,1,0.523,58,271,448.849,3.452,5,0.287,0.56,1.0,0.8907545747378521,0.8842180111027346,0.4510057569734768,0.4709666917963128,0.6742362586525941
EOS-4-01759,CCNCCc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(Cl)c1,SRYVTSUFCYZYBM-UHFFFAOYSA-N,4,1,0.649,48,17,442.35,4.829,4,0.396,0.84,1.0,0.8351980673017614,0.7812607086560208,0.8193749571653759,0.8427969296141457,0.819657665684326
EOS-4-01760,Fc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)ccc1-c1ccccn1,GXFAVFKDLPRQBW-UHFFFAOYSA-N,4,1,0.541,34,799,451.824,4.154,5,0.396,0.67,1.0,0.8470032896991296,0.8620211089027483,0.7931344664519224,0.8308974710437941,0.8332640840243987
EOS-4-01761,Fc1ccc(-c2cc(Cl)ccc2-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)cn1,WFIAYENBSJBEGI-UHFFFAOYSA-N,4,1,0.494,73,795,482.306,4.711,5,0.324,0.64,1.0,0.9267356589678569,0.9574138167363443,0.7202556370365294,0.814962990884792,0.8548420259063806
EOS-4-01762,Cc1cnc(-c2cc(F)c(-c3nnc4cncc(CCc5c(F)cncc5F)n34)cn2)nc1,UPKNFUVUUDAGHK-UHFFFAOYSA-N,4,1,0.354,73,263,448.412,3.549,5,0.406,0.63,0.999,0.4465338222191762,0.5557878144061408,0.5340706599958879,0.5773764649441436,0.5284421903913371
EOS-4-01763,Cn1ccnc1-c1ccc(-c2nnc3cncc(OC4CCC(F)(F)C(F)C4)n23)cc1Cl,CFFZZFVYHNSFRB-UHFFFAOYSA-N,4,1,0.435,78,548,462.863,4.75,5,0.437,0.49,0.999,0.6807278459324241,0.7685388253032691,0.9069289287917209,0.9247909670344733,0.8202466417654718
EOS-4-01764,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)c1F,SKOJFQSJPAUWLB-UHFFFAOYSA-N,4,1,0.506,97,817,417.379,3.501,5,0.432,0.69,1.0,0.7933058049482558,0.7556970050030841,0.8057878144061408,0.7837022822287711,0.7846232266465629
EOS-4-01765,N#Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2Cl)cn1,WSXQUTIVSJBRDQ-UHFFFAOYSA-N,4,1,0.568,35,234,454.881,3.79,5,0.38,0.76,1.0,0.9597268864368447,0.960283736549928,0.6723922280858063,0.6809505859776575,0.8183383592625593
EOS-4-01766,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccccn1,XFXSSRNMPVJQCP-UHFFFAOYSA-N,4,1,0.61,11,595,412.428,4.009,5,0.419,0.73,1.0,0.9646357343567953,0.9353282845589748,0.704638133095744,0.6980073332876431,0.8256523713247892
EOS-4-01767,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5cscn5)ccn4)n23)cc1F,DUFWIEMHQTXHMP-UHFFFAOYSA-N,4,1,0.448,59,445,440.41,4.306,5,0.379,0.63,1.0,0.6439671715441025,0.5797580700431773,0.9002381605099034,0.8883986704132685,0.753090518127613
EOS-4-01768,FC(F)c1nc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)n(CC(F)(F)F)n1,LINGLHMIYROKBL-UHFFFAOYSA-N,4,1,0.295,68,542,430.728,3.598,4,0.46,0.69,0.645,0.2968353779727229,0.39704269755328625,0.7642639298197519,0.7765917346309369,0.5586834349941745
EOS-4-01769,Fc1cnc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1,PFCVFSXFERIJKV-UHFFFAOYSA-N,4,1,0.696,90,305,402.336,2.943,4,0.47,0.76,1.0,0.9641217188677952,0.964387293537112,0.7528870536632171,0.7172829141251457,0.8496697450483175
EOS-4-01770,CC(F)(F)c1ncc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cn1,DSVRTGOVVFHKMT-UHFFFAOYSA-N,4,1,0.506,68,811,419.342,2.988,4,0.444,0.7,1.0,0.7620793639915016,0.8098999383181413,0.7782622849701871,0.6285210060996504,0.7446906483448701
EOS-4-01771,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4F)n23)c1F,JLXGCDZLSAGHFQ-UHFFFAOYSA-N,4,1,0.468,35,143,449.396,3.682,5,0.365,0.63,1.0,0.817387430607909,0.9014974984579536,0.7123140977314784,0.722560139812213,0.7884397916523884
EOS-4-01772,Cc1cc(Oc2cncc3nnc(-c4cc(-c5ccccc5F)ncn4)n23)ccc1F,YBQVFUDXPCUUEM-UHFFFAOYSA-N,4,1,0.447,44,616,416.391,4.627,5,0.425,0.76,1.0,0.7412360359125488,0.651797340826537,0.866904256048249,0.8667072167774655,0.7816612123912
EOS-4-01773,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)c(Cl)c3)n12,AUNLTJBFTQRUJW-UHFFFAOYSA-N,4,1,0.571,35,202,447.861,4.057,5,0.387,0.64,1.0,0.9025083955863203,0.9367675279281749,0.8287386059899938,0.8428054965389624,0.8777050065108629
EOS-4-01774,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(Cl)nc3-c3ccccn3)n12,CAOJYAMBHLUREK-UHFFFAOYSA-N,4,1,0.505,35,161,447.861,4.057,5,0.362,0.61,1.0,0.9306164759098075,0.9514426701391269,0.5932252758549791,0.6432475498595024,0.779632992940854
EOS-4-01775,Cn1nccc1-c1cccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c1,LSNQSFRUGHAFHG-UHFFFAOYSA-N,4,1,0.529,43,630,436.397,4.188,5,0.387,0.66,1.0,0.6211277499828661,0.6321533822219176,0.942772942224659,0.9174662463162223,0.7783800801864162
EOS-4-01776,N#Cc1ccc(-c2nnc3cncc(CNc4c(F)ccc(C#N)c4F)n23)c(F)n1,LEBHYXSUKDITSR-UHFFFAOYSA-N,4,1,0.361,90,678,406.331,2.959,4,0.518,0.69,0.999,0.25116510177506685,0.3541566719210472,0.917320608594339,0.8980193269823864,0.6051654273182099
EOS-4-01777,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(Cl)n2)c1,MRZUJPJTKUFJBB-UHFFFAOYSA-N,4,1,0.566,58,28,447.861,4.057,5,0.362,0.62,1.0,0.8992700980056199,0.9015060653827702,0.6117384003837982,0.6604927695154548,0.7682518333219108
EOS-4-01778,Fc1cnccc1-c1ccc(-c2nnc3cncc(OCC4CCOC4)n23)c(F)c1,QCPNBSOWOKYFSR-UHFFFAOYSA-N,4,1,0.523,90,548,409.396,3.547,5,0.502,0.63,1.0,0.5900469467479953,0.6136573915427318,0.6148224933177986,0.7567421698307175,0.6438172503598107
EOS-4-01779,N#Cc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cc1Cl,DWCKHHZDOOZAOX-UHFFFAOYSA-N,4,1,0.511,90,385,430.23,3.52,4,0.447,0.68,0.995,0.9338719073401411,0.9410852580357755,0.7782708518950038,0.8349838941813447,0.8720529778630663
EOS-4-01781,Fc1ccc(-c2nnc3cncc(COc4ccnc(Cl)n4)n23)cc1-c1cnccn1,XVWSPNCTOCNWHU-UHFFFAOYSA-N,4,1,0.394,73,767,434.822,3.41,5,0.387,0.72,1.0,0.7079192653005277,0.7557055719279008,0.5997704064149133,0.6017836337468302,0.666294719347543
EOS-4-01782,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4F)n23)cnc1Cl,QIUOBIHBCIZGSU-UHFFFAOYSA-N,4,1,0.461,55,271,452.812,3.549,5,0.373,0.58,0.991,0.8424199849222124,0.8254660407100267,0.7046467000205606,0.7199900623672126,0.7731306970050031
EOS-4-01783,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1nccs1,OVDQKFDDUKAQFT-UHFFFAOYSA-N,4,1,0.691,1,996,470.436,4.629,5,0.343,0.81,1.0,0.8539681995750805,0.9546209992461107,0.8193835240901925,0.7742615310808032,0.8505585634980468
EOS-4-01784,Fc1ccc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)cc1-c1ncccn1,HETFGKGVYOUXPD-UHFFFAOYSA-N,4,1,0.494,73,325,466.839,3.591,5,0.35,0.65,1.0,0.9616801452950449,0.9583990130902611,0.5136728120074018,0.5743009389349599,0.752013227331917
EOS-4-01785,Fc1ncncc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3F)n12,MMAJIBRJMNFBDX-UHFFFAOYSA-N,4,1,0.489,65,263,467.827,2.986,5,0.274,0.66,1.0,0.9188540881365225,0.9256647933657735,0.3818107052292509,0.4393290384483586,0.6664146562949763
EOS-4-01786,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1cccnc1,LVIQCUAHYDOOPN-UHFFFAOYSA-N,4,1,0.478,97,103,462.872,4.628,5,0.34,0.64,1.0,0.940091494757042,0.8790435885134672,0.8838239325611679,0.8389846480707285,0.8854859159756014
EOS-4-01787,COc1ccc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)nn1,UAOALPBFJZMRMC-UHFFFAOYSA-N,4,1,0.453,13,724,467.823,4.376,5,0.375,0.72,0.997,0.8558186553354807,0.8591254883147146,0.7931430333767391,0.7516020149407169,0.8149222979919127
EOS-4-01788,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1C(F)(F)F,CREMVXRMPWJDGZ-UHFFFAOYSA-N,4,1,0.366,0,999,455.415,4.817,5,0.448,0.83,1.0,0.4233517236652731,0.5190100061681858,0.9615002398738949,0.9453258858200261,0.712296963881845
EOS-4-01789,Oc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(F)c2)cc1,MMRWSIRLYHQCMP-UHFFFAOYSA-N,4,1,0.529,11,883,428.427,3.715,5,0.44,0.69,1.0,0.801966965937907,0.862029675827565,0.5899355767253787,0.5959238571722295,0.71246401891577
EOS-4-01790,CC(F)(F)c1ncc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)cn1,XHYCYILLNNQHFB-UHFFFAOYSA-N,4,1,0.512,68,127,419.342,3.605,4,0.441,0.66,1.0,0.5024587074223836,0.579766636967994,0.90024672743472,0.7437975464327325,0.6815674045644576
EOS-4-01791,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)ccn1,ZVKUHPTUQARIAK-UHFFFAOYSA-N,4,1,0.529,58,28,447.861,4.057,5,0.362,0.72,1.0,0.9148019326982386,0.9201476937838393,0.6059214584332808,0.6345606880954012,0.76885794325269
EOS-4-01793,CCn1nc(C(F)(F)F)cc1CCc1cncc2nnc(-c3ccc(C#N)cc3F)n12,PCUUDFPDIJDMHD-UHFFFAOYSA-N,4,1,0.402,66,455,429.381,3.822,4,0.451,0.66,1.0,0.2803868823247207,0.4516225755602769,0.8943355493112193,0.8428140634637791,0.617289767664999
EOS-4-01794,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3F)n12,KOYYLYULKHFEHD-UHFFFAOYSA-N,4,1,0.512,58,28,431.406,3.543,5,0.38,0.62,1.0,0.8778099513398671,0.8591340552395312,0.6117469673086149,0.6111387156466315,0.7399574223836611
EOS-4-01796,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4Cl)n23)ccnc1Cl,BNWSFOWVERZKBN-UHFFFAOYSA-N,4,1,0.539,37,386,482.306,4.711,5,0.324,0.64,1.0,0.9294428072099239,0.944940374203276,0.8404495922143788,0.877218833527517,0.8980129017887739
EOS-4-01797,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)cnc1Cl,UNNWAAUGWWERRQ-UHFFFAOYSA-N,4,1,0.598,90,281,405.22,3.649,4,0.472,0.63,1.0,0.9008292783222535,0.9696645192241793,0.8140120622301419,0.8651309026111987,0.8874091905969433
EOS-4-01798,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cnc(C(F)(F)F)nc4)n23)c(F)c1,NDBUWCRNIJBBOP-UHFFFAOYSA-N,4,1,0.412,68,455,446.368,2.711,4,0.454,0.77,1.0,0.29684394489753957,0.3591854567884312,0.7481666780892331,0.4768093345212802,0.47025135357412107
EOS-4-01799,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cc1F,GLRGINZRIZBVNY-UHFFFAOYSA-N,4,1,0.612,23,721,461.831,3.843,4,0.441,0.85,1.0,0.8833356178466177,0.7897847988486053,0.9314903022411075,0.909738880131588,0.8785873997669796
EOS-4-01800,FC(F)Oc1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)nc4)n23)cn1,LTWPTHZCTAJQPB-UHFFFAOYSA-N,4,1,0.341,86,790,418.367,3.307,5,0.428,0.78,1.0,0.5459701185662394,0.5797752038928107,0.7305359468165308,0.6634569255020218,0.6299345486944007
EOS-4-01801,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ncccn5)ncn4)n23)c1,ZUSPPZGFFPOUDI-UHFFFAOYSA-N,4,1,0.427,46,488,418.367,2.896,5,0.429,0.61,0.837,0.7352306216160647,0.5651857309300253,0.5640634637790419,0.5773850318689603,0.610466212048523
EOS-4-01802,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)c1,FJZSINCSHQQYDY-UHFFFAOYSA-N,4,1,0.705,91,660,451.914,5.329,5,0.349,0.76,1.0,0.9473476800767596,0.9555547940511274,0.8695086011925159,0.8938215338222192,0.9165581522856556
EOS-4-01803,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncccn1,YEUQPVRIGKZRQN-UHFFFAOYSA-N,4,1,0.575,35,632,438.426,3.276,5,0.397,0.62,1.0,0.9646443012816119,0.9438181070522925,0.672400795010623,0.6285295730244671,0.8023481940922488
EOS-4-01804,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1ccncn1,FFSXRAGZURMCTB-UHFFFAOYSA-N,4,1,0.678,91,313,460.444,4.157,5,0.36,0.74,1.0,0.9646528682064286,0.8815108628606675,0.872241450209033,0.7906329244054554,0.8772595264203961
EOS-4-01805,Fc1cncc(-c2ccc(CNCc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nn2)c1,AGJFCTLPMPMHGW-UHFFFAOYSA-N,4,1,0.5,14,416,478.438,3.674,5,0.36,0.7,1.0,0.5588119388664246,0.6857480638749914,0.7828969912960044,0.7541292577616339,0.6953965629497636
EOS-4-01806,Fc1cc(F)nc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)c(F)c4)n23)c1,WQPJUIWMXVZSNB-UHFFFAOYSA-N,4,1,0.516,11,275,438.369,3.88,5,0.372,0.7,1.0,0.9328524432869577,0.852923034747447,0.8232129394832431,0.8149715578096086,0.8559899938318141
EOS-4-01807,Fc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ncc(Cl)cn1,KDGFBYOIHANHFG-UHFFFAOYSA-N,4,1,0.534,73,141,465.851,4.196,5,0.371,0.7,1.0,0.9567884312247276,0.9514512370639435,0.6942293194434925,0.7465732300733329,0.8372605544513742
EOS-4-01808,COCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)cn1,YKLGODZATYVWAJ-UHFFFAOYSA-N,4,1,0.635,90,281,415.375,3.372,4,0.431,0.72,1.0,0.8019755328627236,0.8842265780275512,0.9046929614145707,0.8519121376190802,0.8607018024809814
EOS-4-01809,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12,QQGJHNAOWYJBPC-UHFFFAOYSA-N,4,1,0.468,13,724,442.838,5.034,5,0.388,0.7,1.0,0.7589010348845179,0.8591426221643479,0.8323024467137277,0.8483397299705298,0.8246714584332808
EOS-4-01810,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)c1,FFDMHBRSUOHXBZ-UHFFFAOYSA-N,4,1,0.506,58,28,431.406,3.543,5,0.38,0.7,1.0,0.9056952916181208,0.8707593722157494,0.5932338427797957,0.5929939688849291,0.7406706188746488
EOS-4-01811,Fc1cnc(Cl)nc1COc1cncc2nnc(-c3cc(-c4cccnc4F)ccn3)n12,VHRUAQXDWWUELD-UHFFFAOYSA-N,4,1,0.406,46,160,452.812,3.549,5,0.294,0.68,1.0,0.716965937906929,0.6757932972380234,0.6264049756699335,0.6574600781303543,0.6691560722363099
EOS-4-01812,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1-c1cncs1,AYGMGPYDNQNXGP-UHFFFAOYSA-N,4,1,0.688,1,996,470.436,4.629,5,0.343,0.78,1.0,0.8737492289767665,0.9493095058597766,0.8722500171338496,0.8309060379686107,0.8815536974847509
EOS-4-01813,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cocn5)cc4C(F)(F)F)n23)cc1F,RPDCHOQMJPPRFM-UHFFFAOYSA-N,4,1,0.322,96,802,483.385,4.026,5,0.384,0.78,1.0,0.3988931533136865,0.46048934274552805,0.9465252552943595,0.8701425536289493,0.6690125762456308
EOS-4-01814,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnccn1,RSERSFJLRSOSMD-UHFFFAOYSA-N,4,1,0.551,35,161,438.426,3.276,5,0.397,0.61,1.0,0.9515540401617435,0.9423788636830923,0.7407905558220821,0.6980159002124597,0.8331848399698445
EOS-4-01815,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3cccc(C(F)F)n3)n12,CUJHFXHEQVUNLR-UHFFFAOYSA-N,4,1,0.473,27,338,450.384,3.694,5,0.361,0.61,1.0,0.6591049276951545,0.809908505242958,0.6447381947776026,0.5549653896237406,0.6671792543348639
EOS-4-01816,Fc1cncc(-c2ccc(-c3nnc4cncc(OCC5Oc6cccnc6O5)n34)c(F)n2)c1,MAERQBIAOYSRNU-UHFFFAOYSA-N,4,1,0.394,35,143,461.388,3.098,6,0.365,0.45,1.0,0.8758224247824001,0.870767939140566,0.738134809128915,0.657468645055171,0.785548454526763
EOS-4-01817,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)ccn1,JIXGMGYWCJXAMF-UHFFFAOYSA-N,4,1,0.581,72,386,431.406,3.543,5,0.38,0.76,1.0,0.9338804742649579,0.9219638818449729,0.7505911178123501,0.7334144335549311,0.8349624768693029
EOS-4-01819,N#Cc1nccc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)n1,OLMQNBHNKQVRLE-UHFFFAOYSA-N,4,1,0.455,51,196,459.832,3.281,5,0.388,0.69,1.0,0.910381399492838,0.912497429922555,0.5510503049825235,0.5711140429031595,0.7362607943252689
EOS-4-01820,Cn1nccc1-c1cc(F)cc(-c2nnc3cncc(Oc4cc(F)ccc4Cl)n23)c1,JENMZMSGGCZMKH-UHFFFAOYSA-N,4,1,0.494,13,145,438.825,4.916,5,0.398,0.69,1.0,0.5049174148447674,0.6272531012267837,0.9371530395449249,0.9420875882393256,0.7528527859639504
EOS-4-01821,N#Cc1cc(NCc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)ccc1F,CSXSFFFJPOIWLP-UHFFFAOYSA-N,4,1,0.396,90,678,403.808,3.939,4,0.553,0.81,1.0,0.330075046261394,0.4963847577273662,0.9640531834692618,0.9629052155438284,0.6883545507504626
EOS-4-01822,Fc1cncc(CCOc2cncc3nnc(-c4ncncc4-c4cccc(F)c4)n23)c1,YKCVBAKIQKTTGZ-UHFFFAOYSA-N,4,1,0.489,35,429,431.406,3.543,5,0.406,0.75,1.0,0.7589096018093345,0.6467942567336029,0.6669693646768556,0.7147471043794119,0.6968550818998013
EOS-4-01823,N#Cc1cc(-c2nnc3cncc(COc4cc(F)ccn4)n23)ccc1-c1ccncc1,LAEQASDTYMHMNI-UHFFFAOYSA-N,4,1,0.402,14,351,423.411,3.838,5,0.423,0.68,1.0,0.652979576451237,0.714798505928312,0.8468490850524296,0.8189723116989925,0.7583998697827428
EOS-4-01824,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,YGDKZWKJDOGMTF-UHFFFAOYSA-N,4,1,0.57,72,386,431.406,3.543,5,0.38,0.75,1.0,0.9242084161469399,0.920156260708656,0.7096754848879446,0.7008515523267768,0.8137229285175793
EOS-4-01826,CC(C)(O)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cn1,BAXJPMITILMWKP-UHFFFAOYSA-N,4,1,0.367,68,364,415.379,2.871,4,0.5,0.55,1.0,0.4118891782605716,0.5144524021657186,0.632299019943801,0.4142193818107052,0.4932149955451991
EOS-4-01827,Cc1cc(-c2nnc3cncc(OCCc4ccnc(Br)c4)n23)ccc1Cl,FKZQDHPQCNRLLS-UHFFFAOYSA-N,4,1,0.645,90,281,444.72,4.532,4,0.423,0.78,1.0,0.9401000616818587,0.9628538139949284,0.8038602563223906,0.810473922280858,0.8793220135700089
EOS-4-01828,Cc1ccc(F)c(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)c1F,KWVDAENZGIQXFR-UHFFFAOYSA-N,4,1,0.457,73,817,449.396,3.948,5,0.401,0.57,1.0,0.6957285312864094,0.7426324446576656,0.8287471729148105,0.797477897333973,0.7661465115482147
EOS-4-01829,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)c(F)n2)c1,QJBPNAZAYYWBCH-UHFFFAOYSA-N,4,1,0.495,11,275,465.851,4.196,5,0.274,0.7,1.0,0.887096497841135,0.9438266739771092,0.6779692961414571,0.7362415187444314,0.8112834966760332
EOS-4-01830,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)n1,WXKOKVWSGFURCN-UHFFFAOYSA-N,4,1,0.517,58,56,431.406,3.543,5,0.38,0.74,1.0,0.8890154890000685,0.886865190871085,0.6807621136316908,0.6605013364402714,0.7792860324857789
EOS-4-01831,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)c1,ANPOMUGQXMYTQT-UHFFFAOYSA-N,4,1,0.518,72,22,417.379,3.501,5,0.404,0.76,1.0,0.9362021108902748,0.8021640052086902,0.7782794188198204,0.7516105818655335,0.8170640291960798
EOS-4-01832,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c1F,QAJVOZUKWRDRLU-UHFFFAOYSA-N,4,1,0.536,57,709,421.432,4.772,5,0.409,0.75,1.0,0.8470118566239463,0.7557141388527174,0.8800973202659174,0.8683006647933658,0.8377809951339867
EOS-4-01833,Cc1ncc(-c2ccc(-c3nnc4cncc(CNCc5ccc(F)cc5F)n34)c(F)c2)s1,MWOUDTHWSIVEQA-UHFFFAOYSA-N,4,1,0.333,14,291,466.492,4.93,5,0.384,0.81,1.0,0.3373397985059283,0.4604979096703447,0.8762679048728669,0.8715475292988829,0.6364132855870057
EOS-4-01834,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c(Cl)c1Cl,QKUFHFVUMBVTHG-UHFFFAOYSA-N,4,1,0.543,24,912,473.32,5.335,5,0.321,0.68,1.0,0.8254232060859434,0.7978291412514564,0.9069374957165376,0.922786306627373,0.8632440374203276
EOS-4-01835,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1-c1nnco1,UDZUSHYTKMLMBN-UHFFFAOYSA-N,4,1,0.517,43,96,454.368,3.846,5,0.357,0.69,1.0,0.9338890411897746,0.8529316016722637,0.9057638270166541,0.8409379069289288,0.8833805942019053
EOS-4-01836,N#Cc1cc(-c2ccccc2F)cc(-c2nnc3cncc(OCc4ccc(F)nn4)n23)c1,LEIPJHGTPJPARC-UHFFFAOYSA-N,4,1,0.506,43,418,441.401,3.977,5,0.407,0.63,1.0,0.7649235830306353,0.8396528682064286,0.887430607908985,0.8909858817079022,0.8457482352134877
EOS-4-01837,NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(C(F)F)c4-c4ccc(F)cc4)n23)cc1,PNCCZYAMEMTPDG-UHFFFAOYSA-N,4,1,0.411,62,3,449.396,3.955,5,0.438,0.66,1.0,0.1990867658145432,0.34951339867041326,0.8193920910150092,0.7766003015557535,0.5361481392639298
EOS-4-01838,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)c1,HGPMWHZFLWFPSB-UHFFFAOYSA-N,4,1,0.506,58,28,447.861,4.057,5,0.362,0.69,1.0,0.9188626550613391,0.9165667192104722,0.5867743814680282,0.634569255020218,0.7641932526900144
EOS-4-01839,Fc1ccc(Oc2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)cc1,AKFBJMXWTBCUGI-UHFFFAOYSA-N,4,1,0.549,34,372,448.845,4.745,5,0.37,0.74,1.0,0.9088050853265712,0.9717034473305463,0.8436878897950791,0.870151120553766,0.8985868857514906
EOS-4-01840,Fc1ccc(-c2cncc(NCc3cncc4nnc(-c5cc(Cl)ccc5F)n34)c2)nn1,QMSAXEFLCADVFN-UHFFFAOYSA-N,4,1,0.314,45,291,450.84,4.187,5,0.429,0.68,1.0,0.08615756288122815,0.21338496333356177,0.780583921595504,0.8104824892056748,0.4726522342539922
EOS-4-01841,N#Cc1cc(-c2cncc3nnc(-c4ncncc4-c4cccnc4)n23)cc(C(F)F)c1,OFPBJPIIMJRCHQ-UHFFFAOYSA-N,4,1,0.284,82,478,426.39,4.12,5,0.426,0.74,1.0,0.22663799602494689,0.2592094441779179,0.918168734151189,0.9097474470564046,0.5784409053526146
EOS-4-01842,Cc1cccc(-c2ncncc2-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)n1,HFRSMLLPZRCTFV-UHFFFAOYSA-N,4,1,0.54,13,573,433.834,4.537,5,0.411,0.78,0.992,0.7848759509286547,0.7557227057775341,0.707139675142211,0.7386830923171819,0.7466053560413953
EOS-4-01843,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)c(F)c1,XOFKOURIMAPSCR-UHFFFAOYSA-N,4,1,0.467,73,242,436.357,3.035,5,0.387,0.69,1.0,0.7412446028373655,0.789793365773422,0.5544513741347405,0.5614419847851415,0.6617328318826674
EOS-4-01844,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5c(Cl)cncc5Cl)n34)cn2)ncn1,DZRVCQLFEIBSHC-UHFFFAOYSA-N,4,1,0.511,65,559,483.294,4.106,5,0.333,0.69,1.0,0.9073487081077376,0.9305565074360908,0.6916421081488588,0.7567507367555343,0.8215745151120553
EOS-4-01845,Fc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cn2)cc1,FQQXIYRQLSOPJL-UHFFFAOYSA-N,4,1,0.593,11,393,428.427,4.134,5,0.385,0.84,1.0,0.8327993283530943,0.8790521554382839,0.7173685833733123,0.6605099033650881,0.7724324926324446
EOS-4-01846,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5nccnc5F)c4)n23)ccn1,KHVWRNRONJFDCU-UHFFFAOYSA-N,4,1,0.556,75,578,432.394,2.938,5,0.377,0.65,1.0,0.8228188609416763,0.7512936056473168,0.5067850044548009,0.47982489205674733,0.6401805907751353
EOS-4-01847,Fc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1ncc[nH]1,RNDFYJITWFEIDP-UHFFFAOYSA-N,4,1,0.563,35,161,435.85,3.99,5,0.433,0.67,1.0,0.9057038585429374,0.8894609690905353,0.7690185730930026,0.7929545610307724,0.8392844904393119
EOS-4-01848,Fc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)nn5)n4)n23)ccn1,CXIBEEWXNOIXON-UHFFFAOYSA-N,4,1,0.402,54,565,436.357,3.035,5,0.387,0.62,0.986,0.7532297306558837,0.695454389692276,0.6323075868686177,0.6463402097183195,0.6818329792337743
EOS-4-01849,N#Cc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cscn1,WYPSHZQFOGGUSK-UHFFFAOYSA-N,4,1,0.585,1,709,428.452,4.505,5,0.409,0.73,1.0,0.917449112466589,0.8815194297854843,0.8773901720238503,0.8651394695360154,0.8853745459529848
EOS-4-01850,N#Cc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccc2F)ncn1,LHMSMDZMUFYALE-UHFFFAOYSA-N,4,1,0.446,73,196,459.832,3.281,5,0.388,0.66,1.0,0.9008378452470701,0.9064063463779042,0.6447467617024193,0.6634654924268385,0.778864111438558
EOS-4-01852,Fc1cc(CNCc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)ccc1Cl,QDYJDQNJLZESEO-UHFFFAOYSA-N,4,1,0.408,14,291,485.375,5.651,5,0.337,0.8,1.0,0.3789322184908505,0.4649184428757453,0.9191282297306559,0.9453344527448427,0.6770783359605236
EOS-4-01853,CCc1nc(-c2nnc3cncc(Oc4ccc(F)c(C)c4)n23)ccc1-c1ccc(C(F)F)nc1,PRHHKYACGZIKHE-UHFFFAOYSA-N,4,1,0.43,13,374,476.462,5.988,5,0.3,0.71,0.98,0.6777722568706737,0.7557312727023507,0.8990644918100199,0.8349924611061613,0.7918901206223015
EOS-4-01854,Fc1cc(-c2cscn2)cc(-c2nnc3cncc(OCc4nc(F)ccc4F)n23)c1,JPGSPISXCHSGCT-UHFFFAOYSA-N,4,1,0.529,59,439,440.41,4.306,5,0.379,0.67,1.0,0.6591134946199713,0.7148070728531286,0.8436964567198958,0.8447073538482627,0.7655810945103146
EOS-4-01855,Fc1cnc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5cncnc5)n4)n23)c(F)c1,XXODJTFODBHUCR-UHFFFAOYSA-N,4,1,0.435,46,817,452.812,3.549,5,0.399,0.61,1.0,0.6529881433760537,0.7192790076074292,0.629386265506134,0.6953944212185594,0.6742619594270441
EOS-4-01856,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3F)n12,PGDZXMRYFJJUJA-UHFFFAOYSA-N,4,1,0.529,58,28,431.406,3.543,5,0.38,0.63,1.0,0.8833441847714344,0.8591511890891645,0.617829483928449,0.6080203550133644,0.7420863032006031
EOS-4-01858,Fc1ncncc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccc1Cl,JDYJHTGHUJCQDO-UHFFFAOYSA-N,4,1,0.452,55,390,469.267,4.063,5,0.281,0.58,0.999,0.7169745048317456,0.889469536015352,0.6970135700089096,0.7593807826742512,0.7657095983825646
EOS-4-01859,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)c(Cl)c4)n23)ccn1,PAEONJFRQRFMQS-UHFFFAOYSA-N,4,1,0.595,35,202,447.861,4.057,5,0.362,0.66,1.0,0.9242169830717566,0.9525049688163937,0.8213110821739429,0.8309146048934275,0.8822369097388802
EOS-4-01860,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1F)N1CCCC1,ARGICDJCQAJAED-UHFFFAOYSA-N,4,1,0.422,0,21,439.853,4.626,5,0.467,0.89,1.0,0.29937975464327327,0.46935610993077925,0.18913199917757523,0.608028921938181,0.3914741964224522
EOS-4-01861,Cc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)nc2)cn1,JSLULUNHQUJAEP-UHFFFAOYSA-N,4,1,0.575,27,412,447.405,4.345,5,0.379,0.75,1.0,0.847020423548763,0.8138064560345418,0.8232215064080598,0.7092642724967446,0.7983281646220273
EOS-4-01862,Fc1ccc(-c2cnccc2-c2nnc3cncc(-c4ccc(-c5ncccn5)cn4)n23)nc1F,WPSXVDFMXMWQNF-UHFFFAOYSA-N,4,1,0.309,42,977,465.427,4.046,6,0.359,0.65,0.986,0.35346275101089714,0.4342317181824412,0.6238348982249332,0.6285381399492838,0.5100168768418889
EOS-4-01863,Fc1ccc(-c2cnccc2-c2nnc3cncc(-c4ccc(Oc5cnccn5)cn4)n23)nc1,FLLZFQGWXFCNCR-UHFFFAOYSA-N,4,1,0.313,86,790,463.436,4.032,6,0.373,0.58,1.0,0.5433315057227058,0.6087571105475978,0.5510588719073402,0.5153005277225687,0.5546120039750532
EOS-4-01864,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4Cl)n23)ccn1,FXWHKTGWNXSTAW-UHFFFAOYSA-N,4,1,0.581,72,386,447.861,4.057,5,0.362,0.77,1.0,0.9317730107600576,0.9438352409019258,0.7505996847371668,0.7742700980056199,0.8501195086011926
EOS-4-01866,Fc1cnc(C(F)(F)F)nc1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3)n12,DIQXAYKICZKSEH-UHFFFAOYSA-N,4,1,0.474,47,164,471.378,3.146,5,0.375,0.65,1.0,0.9161126721951888,0.8591597560139812,0.6669779316016723,0.5082756493729012,0.7376315022959359
EOS-4-01867,CC(F)(F)c1ncc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cn1,HSVKWEPKZVZVLO-UHFFFAOYSA-N,4,1,0.53,68,811,417.807,3.363,4,0.475,0.69,1.0,0.8071328216023577,0.8431396066068124,0.67539065177164,0.5549739565485573,0.7201592591323418
EOS-4-01868,N#Cc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1ccns1,JRZNUXSTZYUGLS-UHFFFAOYSA-N,4,1,0.524,97,332,462.897,5.158,5,0.358,0.68,1.0,0.8890240559248852,0.8815279967103009,0.9307364128572407,0.9396203138921253,0.910227194846138
EOS-4-01869,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cncnc1,ISWGUUIPIVWYCK-UHFFFAOYSA-N,4,1,0.578,97,83,428.427,3.975,5,0.404,0.68,1.0,0.9408796518401754,0.832859296826811,0.8323110136385443,0.7491947090672332,0.838811167843191
EOS-4-01870,N#Cc1ccc(COc2cncc3nnc(-c4cnnc(-c5cnc(C#N)c(F)c5)c4)n23)c(F)c1,LIUDNDLIAZXEKX-UHFFFAOYSA-N,4,1,0.436,16,772,467.399,3.244,5,0.381,0.5,1.0,0.812332944966075,0.7332516619834144,0.896922760605853,0.8744345829621,0.8292354876293606
EOS-4-01871,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ncccn5)nc4)n23)cc1,IUPJKLATJQCSDQ-UHFFFAOYSA-N,4,1,0.679,35,201,445.87,4.044,5,0.37,0.75,1.0,0.9554177232540607,0.9661263792748955,0.5030069906106504,0.4584589815639778,0.7207525186758962
EOS-4-01872,Fc1cc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)ccc1-c1ncccn1,MXZVDLQAMZFQDP-UHFFFAOYSA-N,4,1,0.5,73,325,466.839,3.591,5,0.35,0.61,1.0,0.9610290590089782,0.957422383661161,0.5174079912274689,0.5679100130217257,0.7509423617298335
EOS-4-01873,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cnn(C(F)F)c5)ccn4)n23)c1,BGPUKHNUEDSXLT-UHFFFAOYSA-N,4,1,0.472,46,160,437.385,4.163,5,0.397,0.74,1.0,0.45357583441847715,0.45163114248509356,0.9014118292097869,0.8634689191967652,0.6675219313275307
EOS-4-01874,Fc1cccc(-c2cnccc2-c2nnc3cncc(-c4ncc(-c5cnc(Cl)nc5)cn4)n23)c1,UHYNEYSALQQIQA-UHFFFAOYSA-N,4,1,0.362,42,106,481.882,4.56,6,0.337,0.71,1.0,0.2856898087862381,0.4066547871975876,0.6753992186964567,0.7413559728599822,0.5272749468850662
EOS-4-01875,Fc1cncc(Cl)c1CCOc1cncc2nnc(-c3cncnc3-c3ccccn3)n12,HXZMKUFXQKORHE-UHFFFAOYSA-N,4,1,0.489,65,559,448.849,3.452,5,0.389,0.7,1.0,0.7620879309163183,0.7727109176889864,0.45818483996984444,0.5352357617709547,0.6320548625865259
EOS-4-01876,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccccn1,HDQJQHULNVMBHL-UHFFFAOYSA-N,4,1,0.534,11,201,453.893,4.395,5,0.351,0.67,1.0,0.9703327393598794,0.9703241724350627,0.7912240422178055,0.7883198547049551,0.8800502021794258
EOS-4-01877,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)cc1F,HEKHDURKEBMQQV-UHFFFAOYSA-N,4,1,0.531,59,445,440.41,4.306,5,0.379,0.68,1.0,0.835206634226578,0.8763021725721335,0.8722585840586663,0.8551333013501473,0.8597251730518813
EOS-4-01878,N#Cc1cc(-c2nnc3cncc(OCc4cnc(-c5ccccn5)nc4)n23)ccc1Cl,DPYIDQSLOVNWMV-UHFFFAOYSA-N,4,1,0.518,16,770,440.854,3.747,5,0.406,0.76,1.0,0.9161212391200055,0.9410938249605921,0.6561579055582208,0.6634740593516552,0.7942117572476184
EOS-4-01879,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cocn4)cc3Cl)n12,OKARGKNPABRKAJ-UHFFFAOYSA-N,4,1,0.571,11,0,436.834,4.255,5,0.367,0.56,1.0,0.8605390309094647,0.8465835103831129,0.7481752450140498,0.7669882119114523,0.8055714995545199
EOS-4-01880,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)nn1,ONOVJMKXYKDMIY-UHFFFAOYSA-N,4,1,0.442,13,724,451.824,4.676,5,0.392,0.71,0.999,0.7502484408196833,0.8292954561030772,0.8160338564868754,0.8149801247344254,0.8026394695360154
EOS-4-01881,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cccs5)c4)n23)c1F,HTMMSMKVPRYVMD-UHFFFAOYSA-N,4,1,0.55,24,912,421.432,4.772,5,0.409,0.77,1.0,0.8815108628606675,0.7812692755808375,0.8814680282365842,0.8731409773147831,0.8543472859982181
EOS-4-01882,CC(F)(c1ncc(Cc2cncc3nnc(-c4ccncc4-c4cccc(F)c4)n23)cn1)C1CC1,GGLQEMJJZIOLFL-UHFFFAOYSA-N,4,1,0.352,85,81,469.499,4.968,6,0.349,0.57,1.0,0.3858114591186348,0.4516397094099102,0.5306695908436707,0.637533411006785,0.5014135425947501
EOS-4-01883,NC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(C(F)F)nc4)n23)c(F)c1F,CXTDACXMZUQFJJ-UHFFFAOYSA-N,4,1,0.391,66,225,430.365,3.286,4,0.474,0.7,0.192,0.36272359673771504,0.4161469398944555,0.8681550270714824,0.8081094510314577,0.6137837536837776
EOS-4-01884,N#Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncc[nH]5)c4)n23)cc1,FNQFAMWANLGZBE-UHFFFAOYSA-N,4,1,0.573,43,230,411.4,3.771,5,0.472,0.78,1.0,0.9306250428346241,0.8733465835103831,0.8838324994859845,0.865148036460832,0.888238040572956
EOS-4-01885,Fc1nc(-c2cc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)ncn2)cs1,LPTZSOUIVADVFK-UHFFFAOYSA-N,4,1,0.356,44,971,461.816,4.568,5,0.387,0.57,0.987,0.7202299362620793,0.7284027825371805,0.819400657939826,0.8447159207730793,0.7781873243780413
EOS-4-01886,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1OCC1CC1,FQWYJPXDZYRJMW-UHFFFAOYSA-N,4,1,0.586,90,636,439.878,4.389,5,0.405,0.7,1.0,0.8445788499760126,0.8677866493043657,0.5174165581522857,0.6839918442875745,0.7284434754300597
EOS-4-01887,Fc1ccc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,NCWBYTLUBYCMNT-UHFFFAOYSA-N,4,1,0.6,91,660,451.914,5.329,5,0.349,0.7,1.0,0.967916866561579,0.9722602974436296,0.8773987389486669,0.8909944486327188,0.9271425878966486
EOS-4-01888,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nc4)n23)cc1,AYRWTUGAEMIDDP-UHFFFAOYSA-N,4,1,0.636,27,51,452.4,3.58,5,0.402,0.77,1.0,0.6867161263792749,0.5466811733260228,0.8774073058734837,0.7092728394215613,0.7050193612500857
EOS-4-01889,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(-c5nnccc5F)ncc4F)n23)n1,XYEHPQXKEZSBDN-UHFFFAOYSA-N,4,1,0.411,73,526,455.335,2.569,5,0.291,0.57,0.909,0.7261925159344802,0.7006545130559935,0.5708998697827428,0.5959324240970462,0.6484198307175656
EOS-4-01890,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ncccn5)cn4)n23)cc1,BTVBMTOJLPUTIG-UHFFFAOYSA-N,4,1,0.769,11,996,477.431,3.992,5,0.311,0.77,1.0,0.9664519224179289,0.9555633609759441,0.712322664656295,0.5711226098279761,0.8013651394695359
EOS-4-01891,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1-c1cnsn1,DOJFYSLITRMGHV-UHFFFAOYSA-N,4,1,0.689,34,232,438.875,4.681,5,0.396,0.72,1.0,0.9761668151600301,0.9546295661709273,0.8485196353916798,0.8842008772531013,0.9158792234939346
EOS-4-01893,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)c(F)n5)cc4F)n23)cc1F,ZTFDYTDWDMBXKW-UHFFFAOYSA-N,4,1,0.364,45,648,465.37,3.571,5,0.321,0.72,1.0,0.38812452881913506,0.39705126447810296,0.8762764717976835,0.8634774861215818,0.6312324378041259
EOS-4-01894,Fc1ccnc(-c2cccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)c1,KKQXDCCHSGVYOJ-UHFFFAOYSA-N,4,1,0.505,11,275,430.418,4.148,5,0.403,0.75,1.0,0.8254317730107601,0.7513021725721335,0.7407991227468987,0.7646066068124187,0.7705349187855528
EOS-4-01896,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cc1F,PFGDEAIUHYJVHV-UHFFFAOYSA-N,4,1,0.8,91,883,435.459,4.815,5,0.383,0.75,1.0,0.9688934959906792,0.9504917414844767,0.8956291549585361,0.8813994928380509,0.9241034713179357
EOS-4-01897,Clc1cnc(-c2cnc(Cl)cn2)c(-c2nnc3cncc(Br)n23)c1,FDTZISJPEXQGRD-UHFFFAOYSA-N,4,1,0.525,50,861,423.061,3.713,4,0.489,0.68,0.999,0.20457816462202727,0.3591940237132479,0.4615430744979782,0.6926273045027757,0.4294856418340073
EOS-4-01899,COCc1cc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)ccc1C(N)=O,CRVZWBVEBSBKRO-UHFFFAOYSA-N,4,1,0.37,66,455,443.389,2.436,4,0.486,0.67,1.0,0.3881330957439518,0.35920259063806453,0.7870519498320883,0.5482831882667397,0.5206677061202111
EOS-4-01900,C#Cc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1,MPMKDYUVFXAKGW-UHFFFAOYSA-N,4,1,0.808,48,305,407.38,3.391,4,0.437,0.71,1.0,0.9881176752792817,0.9816839147419643,0.898053594681653,0.8409464738537454,0.927200414639161
EOS-4-01901,Fc1ccc(Cl)c(Oc2cncc3nnc(-c4cc(-c5cccnn5)cnn4)n23)c1,VLMXGRFSDIJBST-UHFFFAOYSA-N,4,1,0.396,54,251,420.795,3.623,5,0.434,0.62,1.0,0.5754574737852101,0.6272616681516003,0.6418340072647523,0.7252501542046467,0.6424508258515523
EOS-4-01902,Fc1cnccc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccn1,NVEAGOSKRARLLF-UHFFFAOYSA-N,4,1,0.58,75,183,433.834,4.015,5,0.413,0.58,1.0,0.6654530189843054,0.7192875745322459,0.7642724967445685,0.7837108491535878,0.733180984853677
EOS-4-01903,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cc2F)n1,JLSLDSGOOHXDMX-UHFFFAOYSA-N,4,1,0.495,4,610,450.384,3.343,5,0.376,0.67,1.0,0.8516893975738469,0.8529401685970804,0.669745048317456,0.6316822013570009,0.751514203961346
EOS-4-01904,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,CRDUOTBAQKUBFP-UHFFFAOYSA-N,4,1,0.481,13,724,442.838,5.034,5,0.388,0.69,1.0,0.7502570077445,0.7937084504146391,0.8373055308066616,0.8534713179357138,0.8086855767253787
EOS-4-01905,N#Cc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncc(F)cn1,NASRGUQCDACQHR-UHFFFAOYSA-N,4,1,0.57,35,632,438.426,3.276,5,0.397,0.7,1.0,0.9641302857926118,0.9438438078267425,0.6178380508532657,0.5808032348708108,0.7766538448358576
EOS-4-01906,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cc2F)nc1,YDDZIFFHSPTCAM-UHFFFAOYSA-N,4,1,0.506,73,325,466.839,3.591,5,0.35,0.69,1.0,0.9635477349050785,0.9610890274826948,0.5640720307038586,0.5987937769858132,0.7718756425193612
EOS-4-01908,Fc1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1ccccn1,WLTLAGQDTHJHSJ-UHFFFAOYSA-N,4,1,0.522,11,275,430.418,4.148,5,0.403,0.72,1.0,0.9202419299568227,0.9182801041738058,0.7433949009663491,0.7619508601192516,0.8359669488040573
EOS-4-01909,Cc1c(F)ccc(Cc2ncnc(-c3cncc4nnc(-c5ccc(C(F)(F)F)nn5)n34)n2)c1F,VYOHAPLJIDXXLJ-UHFFFAOYSA-N,4,1,0.258,22,542,485.38,3.63,5,0.355,0.67,0.003,0.41642108148858886,0.4693646768555959,0.868163593996299,0.7953190322801728,0.6373170961551642
EOS-4-01910,Oc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)c1,WRMCBEASQRGXID-UHFFFAOYSA-N,4,1,0.624,91,386,428.427,3.715,5,0.44,0.74,1.0,0.8796261394010007,0.8971197998766363,0.7123312315811117,0.6840004112123912,0.793269395517785
EOS-4-01911,Fc1cnc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)cc2)nc1,NZKSXMGTKBBLDQ-UHFFFAOYSA-N,4,1,0.43,14,856,417.379,3.501,5,0.404,0.83,1.0,0.6013895552052635,0.6370536632170516,0.7096840518127613,0.6720495510931396,0.655044205332054
EOS-4-01912,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(F)c1,PZYSRWWNBLAGPJ-UHFFFAOYSA-N,4,1,0.532,57,145,407.405,4.985,5,0.42,0.76,1.0,0.8254403399355768,0.8361147282571448,0.9047015283393873,0.9016431361798369,0.8669749331779866
EOS-4-01916,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)cn2)nc1,SNNQBIQTVVTMSE-UHFFFAOYSA-N,4,1,0.533,65,263,448.849,3.452,5,0.389,0.65,1.0,0.8871050647659516,0.9305650743609074,0.49258104310876566,0.5320402988143376,0.7105728702624906
EOS-4-01918,COc1ncc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1ccc(F)nn1,PGKWZPVJZDTXMG-UHFFFAOYSA-N,4,1,0.59,59,294,465.395,3.648,5,0.375,0.67,1.0,0.832807895277911,0.8293040230278939,0.8176358714275923,0.7465817969981495,0.8065823966828867
EOS-4-01919,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,FFQSXRJUALGUHA-UHFFFAOYSA-N,4,1,0.529,58,28,447.861,4.057,5,0.362,0.74,1.0,0.9188712219861559,0.9237715029812898,0.6088256459461312,0.6375419779316017,0.7722525872112946
EOS-4-01920,Cc1ccnc(OCc2cncc3nnc(-c4ccc(-c5ccccn5)c(C(F)F)c4)n23)c1,IYWRIVSJAGQKKP-UHFFFAOYSA-N,4,1,0.362,14,189,444.445,5.073,5,0.364,0.71,1.0,0.5024672743472003,0.5373089575765883,0.8838410664108012,0.8060962236995408,0.6824283805085326
EOS-4-01921,Clc1cc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)c(Cl)cn1,UFQFRYZMKCUDJR-UHFFFAOYSA-N,4,1,0.455,55,879,450.289,4.529,5,0.364,0.77,1.0,0.7763175930368035,0.8328678637516277,0.7890566102391885,0.8247721197998766,0.805753546706874
EOS-4-01922,Fc1cc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)c(Cl)n2)ccn1,ZQEUZPUFIKOSTL-UHFFFAOYSA-N,4,1,0.309,85,81,454.256,3.47,5,0.38,0.61,1.0,0.3674011376876157,0.41615550681927216,0.4364762524844082,0.5959409910218628,0.45399347200328966
EOS-4-01923,Fc1ccc(-c2ccsc2)cc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,RBARMCFOLXQNLJ-UHFFFAOYSA-N,4,1,0.506,88,490,469.904,5.468,5,0.33,0.66,1.0,0.8815194297854843,0.9084195737098211,0.8907031731889521,0.9185713796175725,0.8998033890754574
EOS-4-01924,Fc1cc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1-c1ncsn1,AGTIEHBMQWLORW-UHFFFAOYSA-N,4,1,0.551,59,332,440.41,4.306,5,0.405,0.71,1.0,0.9174576793914057,0.8465920773079295,0.8774158727983004,0.8871393324652183,0.8821512404907135
EOS-4-01925,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)c1,YZYWOYJJXZAHMO-UHFFFAOYSA-N,4,1,0.558,37,386,431.406,3.543,5,0.406,0.74,1.0,0.9350027414159413,0.9064149133027208,0.7332345281337811,0.7362500856692482,0.8277255671304229
EOS-4-01926,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccnnc5)c4)n23)c1F,GPWMBUFABRLJPU-UHFFFAOYSA-N,4,1,0.518,59,910,417.379,3.501,5,0.432,0.74,1.0,0.7502655746693166,0.6807792474813241,0.8520320745665136,0.8288071413885272,0.7779710095264205
EOS-4-01927,Fc1c(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccnc1Cl,DUUKFRBTDUJNER-UHFFFAOYSA-N,4,1,0.571,90,281,405.22,3.649,4,0.472,0.69,1.0,0.8796347063258173,0.9667688986361456,0.817644438352409,0.8683092317181824,0.8830893187581386
EOS-4-01928,Fc1cnccc1OCc1cncc2nnc(-c3ccc(-c4ccnnc4)c(F)c3)n12,OLTULNKGCKHEFQ-UHFFFAOYSA-N,4,1,0.417,14,767,417.379,3.501,5,0.432,0.73,1.0,0.6746281954629566,0.6184634363648824,0.8485282023164965,0.8267853471317935,0.7421012953190322
EOS-4-01929,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cn1,AGKKOAURXHPTQC-UHFFFAOYSA-N,4,1,0.765,48,231,430.693,4.224,4,0.443,0.76,1.0,0.9392433692001919,0.9760211774381468,0.7870605167569049,0.8288157083133438,0.8827851929271469
EOS-4-01930,FCc1nc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)ccc1F,XBMWBUQLPXQHOQ-UHFFFAOYSA-N,4,1,0.523,75,183,431.406,3.831,5,0.404,0.62,1.0,0.5728188609416763,0.5697947364813927,0.6264135425947502,0.5898927421012953,0.5897299705297787
EOS-4-01931,Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(F)c5F)cn4)n23)cn1,VVCKQLFFAYMZNJ-UHFFFAOYSA-N,4,1,0.353,96,586,416.391,4.627,5,0.425,0.81,1.0,0.507556027688301,0.6518059077513536,0.8750428346240834,0.844724487697896,0.7197823144404085
EOS-4-01932,FC(F)c1cc(COc2cncc3nnc(-c4ccnc(-c5ccncn5)c4)n23)ccn1,PHEYRYZEVBZGFK-UHFFFAOYSA-N,4,1,0.461,75,99,432.394,3.555,5,0.401,0.66,1.0,0.764932149955452,0.5797837708176273,0.7506082516619834,0.6257281886094168,0.68026309026112
EOS-4-01933,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)c(F)c4)n23)cc1F,JPJXNQFNLAGPDD-UHFFFAOYSA-N,4,1,0.517,37,490,449.396,3.682,5,0.391,0.69,1.0,0.9430470838187924,0.9292372010143239,0.8287557398396271,0.8228445617161264,0.8809711465972174
EOS-4-01934,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4F)n23)ccc1-c1ccsc1,XJQORCWAAHKSTL-UHFFFAOYSA-N,4,1,0.5,97,103,475.48,5.257,5,0.333,0.64,1.0,0.9473562470015763,0.8894781029401686,0.9606264135425947,0.9247995339592899,0.9305650743609074
EOS-4-01935,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cncnc4)nc3F)n12,IUPUNCAEHIBFRP-UHFFFAOYSA-N,4,1,0.5,65,904,432.394,2.938,5,0.377,0.67,1.0,0.822827427866493,0.8396614351312452,0.59977897333973,0.5743095058597766,0.7091443355493112
EOS-4-01936,Cc1nc(-c2ccc(-c3nnc4cncc(C(O)OC(F)F)n34)c(Cl)c2)cs1,SQBZXJZAHZZGJO-UHFFFAOYSA-N,4,1,0.393,66,225,423.832,4.107,4,0.486,0.57,0.688,0.44404941402234255,0.579792337742444,0.9631622232883285,0.9453430196696594,0.7330867486806936
EOS-4-01937,COc1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)cc1-c1ncc(F)cn1,HAHHHQPIYGLTGV-UHFFFAOYSA-N,4,1,0.5,73,82,465.395,3.648,5,0.351,0.7,1.0,0.8628949352340484,0.8466006442327462,0.7593979165238846,0.6605184702899047,0.7823529915701459
EOS-4-01938,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)cc2F)n[nH]1,VGAHVZNFSVCNNA-UHFFFAOYSA-N,4,1,0.505,88,141,455.375,3.754,5,0.392,0.69,1.0,0.8717017339455829,0.8431481735316291,0.8990730587348366,0.8980278939072031,0.877987715029813
EOS-4-01939,N#Cc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)cn2)n1,CUWGXNXFJTUXES-UHFFFAOYSA-N,4,1,0.367,50,845,436.826,3.102,5,0.416,0.67,1.0,0.3018727297649236,0.5798009046672606,0.6807706805565075,0.7334230004797478,0.5739668288671099
EOS-4-01940,COc1ncc(-c2cncc3nnc(-c4ccc(-c5cccc(C#N)c5)c(F)c4)n23)cn1,KLVMXMNMALMYOH-UHFFFAOYSA-N,4,1,0.361,96,478,423.411,3.935,5,0.431,0.79,1.0,0.5174251250771024,0.6039853334247138,0.8389418134466452,0.8040144609690906,0.691091683229388
EOS-4-01941,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)ccc1Cl,OSSMBBFXYJQIJA-UHFFFAOYSA-N,4,1,0.5,4,817,458.844,3.886,5,0.389,0.72,1.0,0.8097200328969913,0.9275923514495237,0.8421629771777123,0.8447330546227126,0.856052104036735
EOS-4-01942,CCNCCc1ccc(COc2cncc3nnc(-c4cccc(Cl)c4)n23)c(F)c1,UTWGQPKSLCYJFU-UHFFFAOYSA-N,4,1,0.576,48,17,425.895,4.315,4,0.426,0.88,1.0,0.5229850592831198,0.5466897402508396,0.8000908094030567,0.7929631279555891,0.6656821842231513
EOS-4-01943,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1F,RHBVAOYPIHQMBR-UHFFFAOYSA-N,4,1,0.554,59,293,436.397,4.188,5,0.413,0.68,1.0,0.9118977451853882,0.8529487355218971,0.9230775820711398,0.9085994791309712,0.8991308854773491
EOS-4-01944,N#Cc1cc(-c2nnc3cncc(-c4ccc(Oc5cnccn5)cn4)n23)ccc1Cl,OXXBGWHIRLVKPT-UHFFFAOYSA-N,4,1,0.354,82,914,426.827,3.961,5,0.424,0.81,1.0,0.5929854019601124,0.772719484613803,0.7782879857446371,0.7695668562812693,0.7283899321499554
EOS-4-01945,OCc1cc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)ccc1Cl,SJKKTZQXFXVBLS-UHFFFAOYSA-N,4,1,0.582,90,708,446.692,3.674,4,0.503,0.73,1.0,0.7262010828592969,0.8790607223631005,0.8404581591391954,0.8409550407785621,0.8216687512850387
EOS-4-01946,CCc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ccnc(F)n1,FTURJCHOUCAWHR-UHFFFAOYSA-N,4,1,0.389,13,971,449.396,4.415,5,0.367,0.68,0.931,0.6322733191693509,0.7557398396271674,0.6970221369337263,0.6840089781372078,0.6922610684668631
EOS-4-01948,Cc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)ccc1Cl,JEEQUUSKRLMNLX-UHFFFAOYSA-N,4,1,0.562,90,281,418.259,4.562,4,0.476,0.74,1.0,0.9381725035981084,0.9643958604619286,0.9057723939414708,0.930085326571174,0.9346065211431706
EOS-4-01949,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(COCC(F)(F)F)n4)n23)cc1F,GNYIHXWZHQCNFC-UHFFFAOYSA-N,4,1,0.343,66,999,446.364,3.17,4,0.456,0.74,0.993,0.5000171338496333,0.4914930436570489,0.9264872181481736,0.85013878418203,0.6920340449592215
EOS-4-01951,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1C#N,CXRMYRPKIAWZCN-UHFFFAOYSA-N,4,1,0.806,48,231,400.829,3.81,4,0.505,0.8,1.0,0.9947570420121993,0.9974384894798163,0.9378897950791584,0.9405198409978754,0.9676512918922623
EOS-4-01952,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)nn1,MSJAHOPIPZQQJD-UHFFFAOYSA-N,4,1,0.53,72,52,456.413,3.698,5,0.394,0.73,1.0,0.7169830717565623,0.755748406551984,0.7890651771640053,0.6316907682818176,0.7233718559385923
EOS-4-01953,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)cc3F)n12,JMTUXAQZSXMVRT-UHFFFAOYSA-N,4,1,0.743,88,222,435.459,4.815,5,0.383,0.74,1.0,0.8302378178329107,0.8620382427523816,0.8827273661846343,0.8884072373380851,0.865852666027003
EOS-4-01954,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)c(Br)c3)n12,PAFKHBPDMZUCCR-UHFFFAOYSA-N,4,1,0.576,11,161,491.324,4.771,5,0.341,0.72,1.0,0.9294513741347405,0.9219724487697896,0.7912326091426222,0.7837194160784045,0.8565939620313892
EOS-4-01955,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4Cl)n23)ccn1,BQMLSLNLCRRQLE-UHFFFAOYSA-N,4,1,0.557,35,626,435.85,3.99,5,0.405,0.66,1.0,0.879643273250634,0.8842351449523679,0.7528956205880337,0.769575423206086,0.8215873654992804
EOS-4-01956,Fc1cnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cccnc5)c4)n23)nc1,DZYWRXGMSFWQBX-UHFFFAOYSA-N,4,1,0.53,35,795,431.406,3.543,5,0.406,0.75,1.0,0.9338976081145912,0.9039219381810705,0.6148310602426154,0.6463487766431362,0.7747498457953533
EOS-4-01957,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)ccc2F)cn1,WCYMQRMWHUUJOI-UHFFFAOYSA-N,4,1,0.5,4,71,449.396,3.948,5,0.375,0.69,1.0,0.7649407168802687,0.8361232951819615,0.8267682132821602,0.7953275992049894,0.8057899561373449
EOS-4-01958,Cn1ccnc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1Cl,CKFDTAFSZVHHTL-UHFFFAOYSA-N,4,1,0.512,13,145,438.825,4.916,5,0.398,0.78,1.0,0.7232883284216298,0.8138150229593585,0.9191367966554725,0.9269498320882736,0.8457974950311837
EOS-4-01959,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,QDXPIRXUAZJFNQ-UHFFFAOYSA-N,4,1,0.54,11,0,454.437,4.349,5,0.355,0.65,1.0,0.8924251250771024,0.9105184702899047,0.8249520252210266,0.8061047906243575,0.8585001028030979
EOS-4-01960,FC(F)c1cncc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)cn2)c1,SMBVAGHTRRZKTJ-UHFFFAOYSA-N,4,1,0.351,85,362,451.828,3.615,5,0.398,0.58,1.0,0.3221763415804263,0.4161640737440888,0.6561664724830375,0.6840175450620245,0.5196311082173943
EOS-4-01961,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4cnc(-c5cnc(F)cn5)nc4)n23)cn1,ZZVBBEXUVIUOGS-UHFFFAOYSA-N,4,1,0.321,7,976,450.388,2.67,5,0.398,0.55,1.0,0.3467976835035296,0.392330888904119,0.38555445137413474,0.2642296621204852,0.3472281714755671
EOS-4-01962,Fc1cc(-c2ccnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)ccn1,OIFKIPHMEVWISN-UHFFFAOYSA-N,4,1,0.472,18,840,431.406,3.543,5,0.38,0.66,1.0,0.6867246933040916,0.5992392570762799,0.7457251045164828,0.7334315674045645,0.6912801555753547
EOS-4-01963,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)cc(Cl)n2)nc1,YITJBFSCVFCIEK-UHFFFAOYSA-N,4,1,0.5,59,665,482.306,4.977,5,0.327,0.67,1.0,0.8649766979644986,0.8733551504351997,0.7890737440888219,0.8368771845658283,0.8410706942635872
EOS-4-01964,Cc1oncc1-c1cc(Cl)cnc1-c1nnc2cncc(-c3ccc(C(F)(F)F)nn3)n12,HGDOAZSKWUXWFR-UHFFFAOYSA-N,4,1,0.302,50,243,458.791,4.279,5,0.394,0.61,0.902,0.2856983757110548,0.41617264066890547,0.8503786580768967,0.7929716948804058,0.5863053423343156
EOS-4-01965,Cc1nccc2cc(-c3cncc4nnc(-c5ncncc5-c5ccc(F)c(F)c5)n34)ccc12,HVDGGVBQBONCCD-UHFFFAOYSA-N,4,1,0.281,96,192,451.44,5.05,6,0.375,0.77,0.684,0.38354979096703445,0.4605064765951614,0.877424439723117,0.8910030155575355,0.6531209307107121
EOS-4-01966,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,LVOKMPSSHNFSMZ-UHFFFAOYSA-N,4,1,0.62,91,803,451.914,5.329,5,0.349,0.71,1.0,0.9719518881502296,0.9674970872455624,0.8594595983825646,0.880028784867384,0.919734339661435
EOS-4-01967,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)nn5)n4)n23)ccn1,LDMUPIABZNSHLW-UHFFFAOYSA-N,4,1,0.506,73,486,437.345,2.43,5,0.382,0.61,0.999,0.6043622781166472,0.6468028236584196,0.47202042354876295,0.479833458981564,0.5507547460763484
EOS-4-01968,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1ccccn1,PPOUWTIPCFSWFF-UHFFFAOYSA-N,4,1,0.452,97,383,462.872,4.628,5,0.34,0.67,1.0,0.9466023576177095,0.8591683229387979,0.8503872250017134,0.7953361661298061,0.8628735179220067
EOS-4-01969,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cc2F)n1,TXDYJNNPYUZTNE-UHFFFAOYSA-N,4,1,0.529,59,607,437.385,3.881,5,0.449,0.68,1.0,0.9174662463162223,0.8497618394900966,0.8708536083887328,0.8568209855390309,0.8737256699335206
EOS-4-01970,Cc1ncc(COc2cncc3nnc(-c4ccc(OC(F)F)c(C#N)c4)n23)cn1,MYXYKHHNLSRVMC-UHFFFAOYSA-N,4,1,0.588,68,900,409.356,2.942,4,0.478,0.75,1.0,0.8907631416626688,0.7937170173394559,0.8637773284901652,0.7492032759920499,0.824365190871085
EOS-4-01971,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)cc1F,XHGHJVAFOHKWEB-UHFFFAOYSA-N,4,1,0.48,66,678,442.401,3.504,4,0.455,0.84,1.0,0.6559008978137207,0.8216280583921596,0.8579175519155644,0.7438061133575492,0.7698131553697485
EOS-4-01972,Fc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)n1,HGNSUJXYROSOBJ-UHFFFAOYSA-N,4,1,0.483,75,496,418.367,2.896,5,0.402,0.66,1.0,0.6529967103008704,0.5850866972791446,0.5274055924885204,0.49513398670413267,0.565155746693167
EOS-4-01973,Fc1ccc(-c2nnc3cncc(-c4ncnnc4-c4cc(F)ccc4Cl)n23)nc1,GFXVHOLYFDXVOF-UHFFFAOYSA-N,4,1,0.305,22,844,422.786,3.637,5,0.438,0.65,0.999,0.32735076416969366,0.4516482763347269,0.6860993077924749,0.835001028030978,0.5750248440819683
EOS-4-01974,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(C(F)F)nc4)n23)nc1F,AIFUHOWQSZSQHR-UHFFFAOYSA-N,4,1,0.297,50,243,439.336,3.316,5,0.31,0.67,0.026,0.30188129668974023,0.44279864299910904,0.7253015557535467,0.7413645397847989,0.5528365088067987
EOS-4-01975,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(F)c1,BVFWAKHUZJUVJP-UHFFFAOYSA-N,4,1,0.641,91,660,435.459,4.815,5,0.383,0.7,1.0,0.9603351380988281,0.9438523747515591,0.8762850387225002,0.8683177986429991,0.9121975875539716
EOS-4-01976,Fc1cc(F)nc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccccn5)c4)n23)c1,TVRHUHITOIUSPK-UHFFFAOYSA-N,4,1,0.565,24,912,451.824,4.154,5,0.371,0.74,0.976,0.6294462339798506,0.759800561990268,0.7618480570214515,0.7883284216297718,0.7348558186553356
EOS-4-01977,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)cn2)cn1,ZPSGYOKRWJMAEW-UHFFFAOYSA-N,4,1,0.595,13,573,433.834,4.537,5,0.411,0.76,1.0,0.8539767664998972,0.8620468096771983,0.7594064834487012,0.7619594270440683,0.8093473716674662
EOS-4-01978,N#Cc1ccc(-c2cncc3nnc(-c4cncnc4-c4cnc(F)cn4)n23)cc1F,HGSWDUJKVSINOE-UHFFFAOYSA-N,4,1,0.369,50,155,413.351,2.855,5,0.443,0.75,0.776,0.34206874100472895,0.4782485778904804,0.720264203961346,0.7567593036803509,0.5743352066342265
EOS-4-01979,N#Cc1cnc(-c2ccc(COc3cncc4nnc(-c5cncnc5)n34)cc2Cl)cn1,JFVQQXOHYPITFY-UHFFFAOYSA-N,4,1,0.517,55,435,441.842,3.142,5,0.404,0.74,1.0,0.729473648139264,0.7854927695154548,0.6590021245973545,0.6574772119799877,0.7078614385580151
EOS-4-01980,N#Cc1nc(COc2cncc3nnc(-c4cc(-c5ccccn5)ncc4Cl)n23)ccc1F,XCUHCRKTCCLPRC-UHFFFAOYSA-N,4,1,0.511,24,702,458.844,3.886,5,0.389,0.73,1.0,0.7352391885408813,0.817670139126859,0.6861078747172915,0.6980244671372764,0.7342604173805771
EOS-4-01981,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1)N1CCCC1,OAQTXSVRFXTLLF-UHFFFAOYSA-N,4,1,0.518,0,345,452.44,4.032,5,0.467,0.88,1.0,0.2617366869988349,0.2541549585360839,0.2490919059694332,0.442618737577959,0.30190057227057776
EOS-4-01982,Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)cc1Cl,XOXMGXWPSFNBQS-UHFFFAOYSA-N,4,1,0.333,96,914,433.834,4.537,5,0.411,0.76,1.0,0.5900555136728121,0.7426410115824823,0.7357103694057981,0.7172914810499623,0.6964245939277637
EOS-4-01983,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccncn1,RQHOBCUZAYCIPC-UHFFFAOYSA-N,4,1,0.527,35,729,438.426,3.276,5,0.371,0.66,1.0,0.969416078404496,0.942387430607909,0.7481838119388664,0.6926358714275923,0.838155798094716
EOS-4-01984,N#Cc1ncc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)cc1F,VFTVYTZVIATWST-UHFFFAOYSA-N,4,1,0.447,2,422,424.399,3.233,5,0.422,0.6,1.0,0.7904615859091221,0.7239651154821465,0.6861164416421082,0.6316993352066342,0.7080606195600028
EOS-4-01985,O=C(Nc1cccc(F)c1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)c(F)c1,CFHXVGNTRDXDAG-UHFFFAOYSA-N,4,1,0.495,45,504,462.847,5.037,5,0.404,0.87,0.999,0.21547529298882873,0.4161812075937222,0.8907117401137687,0.9052840792269207,0.6069130799808101
EOS-4-01987,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)cc1,ILKKWGSKIGECGE-UHFFFAOYSA-N,4,1,0.725,48,378,441.413,3.547,4,0.452,0.86,1.0,0.9008464121718868,0.6039939003495305,0.8485367692413132,0.7695839901309026,0.7807402679734082
EOS-4-01988,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)cc1Cl,CYBXMOFMFTVUIE-UHFFFAOYSA-N,4,1,0.561,59,607,470.842,4.842,5,0.344,0.72,1.0,0.8945240216571859,0.8993729011034199,0.9615088067987115,0.959923925707628,0.9288324138167363
EOS-4-01989,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)ccc1Cl,AGQBFZZLYUAIMO-UHFFFAOYSA-N,4,1,0.675,47,781,453.84,4.13,5,0.415,0.63,1.0,0.9750788157083133,0.9555719279007607,0.8774330066479337,0.8884158042629018,0.9241248886299773
EOS-4-01990,CC(F)c1ncc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)cn1,YYQHSLNNCONGCI-UHFFFAOYSA-N,4,1,0.419,68,455,415.379,3.825,4,0.491,0.66,1.0,0.2941453635802892,0.30541943663902404,0.7529041875128504,0.601792200671647,0.48856529710095264
EOS-4-01991,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Br)cn4)n23)ccc1Cl,KFVKRCQLGPAHIA-UHFFFAOYSA-N,4,1,0.585,90,400,455.703,4.095,4,0.45,0.74,1.0,0.9603437050236447,0.9740165170310465,0.8267767802069769,0.8501473511068467,0.9028210883421288
EOS-4-01992,Fc1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)c(F)c1,AQDGXIPNSDRWPC-UHFFFAOYSA-N,4,1,0.468,13,724,426.383,4.519,5,0.421,0.77,1.0,0.7649492838050853,0.8431567404564457,0.832319580563361,0.8209769721060928,0.8153506442327462
EOS-4-01993,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cn1,YCJKGFQAKUORQX-UHFFFAOYSA-N,4,1,0.5,35,578,432.394,2.938,5,0.377,0.68,1.0,0.8302463847577274,0.7379977383318485,0.5743437735590432,0.5614505517099582,0.6760096120896444
EOS-4-01994,N#Cc1ccc(Cl)nc1NCc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,MOSWVTSHUGNBKR-UHFFFAOYSA-N,4,1,0.381,68,455,412.791,3.656,4,0.499,0.69,0.981,0.18507984373929134,0.1991895689123432,0.8057963813309574,0.7646151737372353,0.48867024192995684
EOS-4-01995,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)nc3Cl)n12,VRZUPIMGKTWXDC-UHFFFAOYSA-N,4,1,0.461,59,332,456.268,4.601,5,0.389,0.58,1.0,0.842428551847029,0.8361318621067781,0.8356863820163114,0.8871478993900349,0.8503486738400384
EOS-4-01996,Fc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)nc1,VTKJDQTXWUIERJ-UHFFFAOYSA-N,4,1,0.472,73,930,452.812,3.549,5,0.373,0.65,1.0,0.7561167843191008,0.9145106572544719,0.5510674388321568,0.6142742101295319,0.7089922726338154
EOS-4-01997,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)cc1-c1cncs1,KOJBGNGESQNUJS-UHFFFAOYSA-N,4,1,0.542,59,71,440.41,4.306,5,0.379,0.74,1.0,0.787677335343705,0.8559728599821808,0.882735933109451,0.8701596874785826,0.8491364539784798
EOS-4-01998,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccnc(F)c1,CUJMTKYQYPKNRR-UHFFFAOYSA-N,4,1,0.523,35,103,460.444,4.157,5,0.337,0.67,1.0,0.9401086286066753,0.8620553766020149,0.8306233294496608,0.7438146802823659,0.8441505037351793
EOS-4-01999,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)c1,FBGHYGICJDQORV-UHFFFAOYSA-N,4,1,0.568,59,665,433.834,4.015,5,0.413,0.78,1.0,0.9119063121102049,0.9064234802275375,0.6697536152422726,0.717300047974779,0.8013458638886986
EOS-4-02001,Fc1cc(-c2ccc(-c3cncc4nnc(-c5ncncc5-c5ccccc5)n34)cn2)cc(F)n1,BJRXPSVPNZGKJI-UHFFFAOYSA-N,4,1,0.293,30,515,464.439,4.651,6,0.351,0.69,0.827,0.26962682475498595,0.29554177232540607,0.7481923788636831,0.7837279830032212,0.5242722397368241
EOS-4-02002,N#Cc1cc(-c2ccccn2)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,SXYWQMUOIRPRBB-UHFFFAOYSA-N,4,1,0.545,97,666,441.401,3.977,5,0.38,0.71,1.0,0.7047323692687273,0.7006630799808101,0.8814765951614009,0.8683263655678157,0.7887996024946885
EOS-4-02003,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)c1,QWROZVAWBRYKHR-UHFFFAOYSA-N,4,1,0.615,43,909,422.807,4.213,5,0.419,0.8,1.0,0.9362106778150915,0.9125059968473717,0.8287643067644438,0.8534798848605305,0.8827402165718594
EOS-4-02004,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)c(C(F)(F)F)c4)n23)cc1F,JWFSKCFLCSCSOS-UHFFFAOYSA-N,4,1,0.337,0,188,491.395,5.446,5,0.377,0.84,0.997,0.4097217462819546,0.5698033034062093,0.9912103351380989,0.9871410458501816,0.7394691076691111
EOS-4-02005,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cc(F)c(Cl)nn3)n12,GLBJCLGBDBBEBI-UHFFFAOYSA-N,4,1,0.467,72,820,452.812,3.549,5,0.399,0.69,1.0,0.8254489068603934,0.8894866698649853,0.7021023233500103,0.7516191487903502,0.7921642622164348
EOS-4-02006,NC(=O)c1ccc(-c2nnc3cncc(NCc4ccc(Cl)c(F)c4)n23)cc1F,YXVHDZRVPDODJG-UHFFFAOYSA-N,4,1,0.53,23,646,414.803,3.434,4,0.521,0.86,1.0,0.10815742581043108,0.18154170379000753,0.8681721609211157,0.8534884517853472,0.5028399355767255
EOS-4-02007,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncn4)n23)cc1,NNIIWOVKWNEBHB-UHFFFAOYSA-N,4,1,0.646,27,354,448.393,3.219,5,0.37,0.73,1.0,0.7202385031868961,0.7769344116236035,0.7713487766431362,0.6720581180179562,0.735144952367898
EOS-4-02008,Cc1cc(Oc2cncc3nnc(-c4cncc(-c5ncc(F)cn5)c4)n23)ccc1F,LRUOPKPXKHUYDW-UHFFFAOYSA-N,4,1,0.512,2,491,417.379,4.022,5,0.436,0.73,1.0,0.7561253512439174,0.6807878144061408,0.7506168185868001,0.7225687067370297,0.727524672743472
EOS-4-02009,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cc(-c5cccnc5)ncn4)n23)cc1,BQZYWVAOFSZERC-UHFFFAOYSA-N,4,1,0.679,27,996,447.405,3.824,5,0.371,0.76,1.0,0.7412531697621821,0.7769429785484202,0.8287728736892606,0.7541378246864505,0.7752767116715784
EOS-4-02010,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)cc1F,AZIMQZPWOIBZFS-UHFFFAOYSA-N,4,1,0.62,59,294,417.379,3.501,5,0.432,0.74,1.0,0.7791189774518539,0.7284113494619971,0.8389503803714619,0.8209855390309094,0.7918665615790557
EOS-4-02011,Fc1cncc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ccsc4)nc3)n12,YIYSJGSEQSNRSH-UHFFFAOYSA-N,4,1,0.494,2,980,438.875,4.681,5,0.396,0.72,1.0,0.8173959975327256,0.8099170721677746,0.7870690836817216,0.8128126927558084,0.8067987115345076
EOS-4-02014,CC(=O)Nc1ccc(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,MGPXGSNIUBAFAD-UHFFFAOYSA-N,4,1,0.623,48,17,411.824,4.121,4,0.534,0.84,1.0,0.9294599410595573,0.6807963813309574,0.8232300733328765,0.764623740662052,0.7995275340963608
EOS-4-02015,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1-c1nc[nH]n1,XHLOMKQPJURQSW-UHFFFAOYSA-N,4,1,0.506,47,718,453.384,3.581,5,0.392,0.58,1.0,0.9133455554794051,0.802172572133507,0.8943441162360359,0.8288242752381605,0.859671629771777
EOS-4-02016,Fc1cccnc1-c1cc(-c2nnc3cncc(COc4cccc(Cl)n4)n23)ccn1,ATKMRECMCSKOPG-UHFFFAOYSA-N,4,1,0.373,24,912,433.834,4.015,5,0.386,0.79,1.0,0.6128863683092317,0.6136659584675485,0.6208450414639161,0.6547443629634706,0.6255354328010416
EOS-4-02017,N#Cc1cncc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nc2)n1,NEXYUZRIDPVHQH-UHFFFAOYSA-N,4,1,0.343,82,216,435.838,3.707,5,0.419,0.76,1.0,0.32478925364950995,0.5557963813309574,0.8232386402576931,0.8447416215475293,0.6371414741964224
EOS-4-02018,Fc1cc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)ncn1,DMBQXSXDCBFDAF-UHFFFAOYSA-N,4,1,0.484,2,904,432.394,2.938,5,0.377,0.58,1.0,0.762096497841135,0.7101980673017614,0.6504180659310533,0.6171012953190322,0.6849534815982454
EOS-4-02019,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)ccn1,SXHIHRSIXIEKKT-UHFFFAOYSA-N,4,1,0.583,11,0,436.834,4.255,5,0.367,0.55,1.0,0.8890326228497019,0.8466092111575629,0.7870776506065382,0.7953447330546227,0.8295160544171064
EOS-4-02021,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)cn4)n23)cc1F,LUNMYOWOWASYKA-UHFFFAOYSA-N,4,1,0.343,66,999,430.365,3.761,4,0.499,0.86,1.0,0.3604876293605647,0.45165684325954353,0.9563001165101775,0.8980364608320197,0.6666202624905764
EOS-4-02022,Fc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1nccn1C(F)F,KWWWRXLGSYFQMB-UHFFFAOYSA-N,4,1,0.602,37,563,451.412,4.206,5,0.369,0.6,1.0,0.8758309917072168,0.8559814269069974,0.8249605921458433,0.7742786649304366,0.8327629189226236
EOS-4-02023,Fc1cc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1,GPJYVPDGWSPWBO-UHFFFAOYSA-N,4,1,0.648,97,326,437.887,5.286,5,0.374,0.71,1.0,0.922889109725173,0.9219810156946062,0.9097303132067713,0.9185799465423892,0.9182950962922349
EOS-4-02024,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cc(F)cnn5)c4)n23)c1,HTXDPIDXNUYLML-UHFFFAOYSA-N,4,1,0.516,37,490,449.396,3.682,5,0.391,0.6,1.0,0.9267442258926736,0.9145192241792885,0.8058049482557741,0.8228531286409431,0.8674803817421698
EOS-4-02025,N#Cc1ncc(F)c(COc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)n1,FWAFIABDKPHINI-UHFFFAOYSA-N,4,1,0.477,90,555,411.784,2.317,4,0.53,0.73,1.0,0.8493848947981633,0.921989582619423,0.6916506750736755,0.7008601192515934,0.7909713179357137
EOS-4-02026,N#CCCc1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,RFFDLRXRHJFUHW-UHFFFAOYSA-N,4,1,0.561,90,708,408.824,4.014,4,0.478,0.73,1.0,0.944888972654376,0.9703327393598794,0.7253101226783634,0.7859810842300048,0.8566282297306559
EOS-4-02027,Fc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1-c1cccnn1,UDBMBVOEMNVDHU-UHFFFAOYSA-N,4,1,0.511,37,639,449.396,3.682,5,0.365,0.7,1.0,0.9317815776848742,0.9411023918854088,0.8000993763278733,0.7906414913302721,0.865906209307107
EOS-4-02028,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)cc3Cl)n12,KDFVLKSVWFCWNC-UHFFFAOYSA-N,4,1,0.558,37,386,447.861,4.057,5,0.387,0.72,1.0,0.9119148790350216,0.9305736412857241,0.752912754437667,0.7883369885545884,0.8459345658282502
EOS-4-02029,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)nc3F)n12,KGXDYGXCHXBKSA-UHFFFAOYSA-N,4,1,0.512,58,271,432.394,2.938,5,0.377,0.64,1.0,0.862903502158865,0.8591768898636145,0.47889966417654717,0.45846754848879445,0.6648619011719553
EOS-4-02030,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c(F)c2)ccn1,SORSIXPRYKZOEM-UHFFFAOYSA-N,4,1,0.57,11,352,444.445,4.456,5,0.36,0.77,1.0,0.940117195531492,0.9367760948529916,0.8594681653073812,0.8189808786238092,0.8888355835789185
EOS-4-02031,Fc1cnccc1CCOc1cncc2nnc(-c3cncnc3-c3ncccc3F)n12,QBHOYTAYWQOMTA-UHFFFAOYSA-N,4,1,0.5,65,904,432.394,2.938,5,0.403,0.65,1.0,0.7202470701117127,0.6663182783907888,0.4752501542046467,0.5082842162977178,0.5925249297512165
EOS-4-02032,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3cnc(Cl)nc3)n12,MXDYPGNXRHISGV-UHFFFAOYSA-N,4,1,0.519,65,811,406.208,3.044,4,0.471,0.67,1.0,0.8123415118908917,0.8947724624768693,0.6724093619354397,0.7516277157151668,0.7827877630045917
EOS-4-02033,Cc1cc(F)cc(-c2ncccc2-c2nnc3cncc(-c4ccc(F)c(CO)c4)n23)n1,COASPJHODRKANV-UHFFFAOYSA-N,4,1,0.311,96,46,430.418,3.994,5,0.464,0.66,0.975,0.3097457336714413,0.42060174079912277,0.8356949489411281,0.8288328421629771,0.5987188163936673
EOS-4-02034,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cn5)c4)n23)ccn1,XJMYROZKBROJJS-UHFFFAOYSA-N,4,1,0.56,75,583,447.861,4.057,5,0.362,0.62,1.0,0.9254848879446234,0.9084281406346378,0.702110890274827,0.7199986292920293,0.8140056370365294
EOS-4-02035,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1F)N1CCCC1,QMDJUMSUAVQQIV-UHFFFAOYSA-N,4,1,0.42,0,21,439.853,4.626,5,0.467,0.9,1.0,0.319837571105476,0.49639332465218283,0.22379377698581318,0.6345778219450346,0.4186506236721267
EOS-4-02036,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cccc(F)c1,GQUWKCYLUPVJPL-UHFFFAOYSA-N,4,1,0.624,91,955,441.466,4.623,5,0.367,0.76,1.0,0.9280121307655405,0.8677952162291823,0.8267853471317935,0.7646323075868686,0.8468062504283462
EOS-4-02037,Fc1ccncc1CCOc1cncc2nnc(-c3cncnc3-c3ncccc3F)n12,NASOFAQUKGYNMT-UHFFFAOYSA-N,4,1,0.484,65,262,432.394,2.938,5,0.403,0.65,0.997,0.7107806181892947,0.6415341648961689,0.46868788979507914,0.5117623877732849,0.583191265163457
EOS-4-02038,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c(F)n1,MRFPAXMXEUWOSP-UHFFFAOYSA-N,4,1,0.522,65,324,432.394,2.938,5,0.377,0.65,1.0,0.8539853334247138,0.8648824617915153,0.5340792269207045,0.49198135837159895,0.6862320951271332
EOS-4-02039,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)cc1F)N1CCCC1,JPZZPROSGUSVBE-UHFFFAOYSA-N,4,1,0.374,0,21,455.415,4.91,5,0.41,0.86,1.0,0.26439243369200194,0.40207148242067026,0.4752587211294634,0.7593893495990679,0.4752779967103009
EOS-4-02040,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cn5)c4)n23)ccc1F,DEBNMSSINDVBAS-UHFFFAOYSA-N,4,1,0.511,24,912,458.844,3.886,5,0.389,0.73,1.0,0.7904701528339387,0.8396700020560619,0.7332430950585977,0.7362586525940649,0.7749104756356658
EOS-4-02041,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4F)n23)ccn1,WGDPGZODTUNNOF-UHFFFAOYSA-N,4,1,0.529,58,271,432.394,2.938,5,0.377,0.62,1.0,0.8833527516962512,0.8648910287163319,0.527414159413337,0.4951425536289494,0.6927001233637173
EOS-4-02042,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)nc3Cl)n12,KZSPACPOSIYZJA-UHFFFAOYSA-N,4,1,0.512,65,324,448.849,3.452,5,0.364,0.59,1.0,0.8671441299431156,0.9039305051058872,0.520526351860736,0.5646117469673086,0.7140531834692618
EOS-4-02043,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3F)n12,OQAWKXMVPCNDCU-UHFFFAOYSA-N,4,1,0.543,35,559,454.437,4.349,5,0.355,0.69,1.0,0.8693800973202659,0.8678037831539991,0.7782965526694537,0.7859896511548214,0.8253675210746351
EOS-4-02044,Cc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1ncncc1Cl,QXTFEQFWORXTDL-UHFFFAOYSA-N,4,1,0.421,44,910,465.851,4.462,5,0.378,0.68,0.6,0.858183126584881,0.7978377081762731,0.8020012336371736,0.8170104859159756,0.8187581385785758
EOS-4-02045,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)c1Cl,XXKUXUQBVUBIRS-UHFFFAOYSA-N,4,1,0.512,24,910,433.834,4.015,5,0.413,0.72,1.0,0.804468507984374,0.7727280515386197,0.7931516003015557,0.814988691659242,0.7963342128709477
EOS-4-02046,Cc1ncc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnc(F)nc5)c4)n23)cn1,VFRHAIAHQTVWJS-UHFFFAOYSA-N,4,1,0.56,65,494,446.421,3.246,5,0.366,0.72,1.0,0.9567969981495442,0.9423959975327256,0.5997875402645466,0.5320488657391542,0.7577573504214926
EOS-4-02047,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)c(Cl)c3)n12,PWKBRRSGXDMTQM-UHFFFAOYSA-N,4,1,0.563,72,386,447.861,4.057,5,0.362,0.73,1.0,0.9439723116989925,0.9482557741073264,0.7227657460078131,0.7541463916112672,0.8422850558563497
EOS-4-02048,Fc1cc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,DHKFPDOVPFJZLO-UHFFFAOYSA-N,4,1,0.583,11,0,436.834,4.255,5,0.367,0.68,1.0,0.9202504968816394,0.8733637173600165,0.7408076896717154,0.7413731067096155,0.8189487526557467
EOS-4-02049,N#Cc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ccc2F)cn1,YPLZEXPCNUCPNS-UHFFFAOYSA-N,4,1,0.535,4,32,458.844,3.886,5,0.389,0.72,1.0,0.892433692001919,0.9667774655609622,0.7202727708861627,0.7593979165238846,0.8347204612432321
EOS-4-02050,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccnc(OC(F)F)c4)n23)cc1F,YLAVFZZDFOMKFK-UHFFFAOYSA-N,4,1,0.404,66,678,429.362,2.638,4,0.463,0.82,0.998,0.5124648756082517,0.565194297854842,0.759415050373518,0.6142827770543485,0.6128392502227401
EOS-4-02051,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cc1,FYYPQGDQRAORJC-UHFFFAOYSA-N,4,1,0.761,48,101,400.829,3.81,4,0.505,0.82,1.0,0.9913302720855321,0.9949112466588993,0.9459855390309094,0.9460797752038929,0.9695767082448085
EOS-4-02053,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)n2)cn1,DAIQZAXVZRZXPB-UHFFFAOYSA-N,4,1,0.523,58,271,432.394,2.938,5,0.377,0.61,1.0,0.8693886642450825,0.8497704064149133,0.465029812898362,0.4489496950174765,0.6582846446439585
EOS-4-02054,N#Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5ccsc5)c4)n23)ccc1F,XAQGFJJZULFBCE-UHFFFAOYSA-N,4,1,0.523,4,702,446.442,4.644,5,0.391,0.75,1.0,0.840184017545062,0.8529573024467137,0.8956377218833528,0.8828130354328011,0.8678980193269824
EOS-4-02055,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cocn4)c(Cl)c3)n12,RDUFENRKTTYMKH-UHFFFAOYSA-N,4,1,0.583,11,595,436.834,4.255,5,0.367,0.67,1.0,0.9317901446096909,0.8868737577959016,0.7618566239462683,0.7766088684805702,0.8392823487081077
EOS-4-02056,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cn1,PMUAGXWWOXUMCQ-UHFFFAOYSA-N,4,1,0.506,65,904,432.394,2.938,5,0.403,0.67,1.0,0.8649852648893154,0.8894952367898019,0.5640805976286752,0.5352443286957713,0.7134513570008909
EOS-4-02057,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)cc1F,ROULOVDVMPCUCG-UHFFFAOYSA-N,4,1,0.542,23,17,429.814,3.662,4,0.523,0.84,1.0,0.9317987115345076,0.7978462751010897,0.904710095264204,0.8814080597628675,0.8789407854156671
EOS-4-02058,Fc1ccc(Cc2cncc3nnc(-c4cc(OCc5ccc(Cl)cc5)ncn4)n23)nc1Cl,VHXUZAHZJDWVAV-UHFFFAOYSA-N,4,1,0.343,44,358,482.306,4.592,5,0.327,0.66,1.0,0.5382256185319718,0.5798094715920773,0.7976920704543897,0.844750188472346,0.6901193372626961
EOS-4-02059,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)c(F)c3)n12,AWNVNCANGQEVAV-UHFFFAOYSA-N,4,1,0.552,35,161,431.406,3.543,5,0.406,0.72,1.0,0.9306336097594408,0.8971283668014529,0.7666883695428689,0.7567678706051676,0.8378045541772325
EOS-4-02061,N#Cc1cc(-c2nnc3cncc(-c4ncc(OC(F)F)cn4)n23)ccc1Cl,UWOSFUIKFIKAFU-UHFFFAOYSA-N,4,1,0.387,68,861,399.748,3.375,4,0.518,0.79,0.995,0.6239205674730999,0.8678123500788157,0.9329895140840244,0.9387122198615585,0.8408586628743746
EOS-4-02062,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ncc(Cl)nn5)ccn4)n23)c1F,NPLWRWASIJOPKP-UHFFFAOYSA-N,4,1,0.444,46,910,452.812,3.549,5,0.399,0.68,1.0,0.7791275443766705,0.7239736824069632,0.6861250085669248,0.7334401343293812,0.7306665924199849
EOS-4-02063,N#Cc1cc(-c2nnc3cncc(-c4ncc(-c5cnc(Cl)nc5)cn4)n23)ccc1Cl,MPQOQZLBMISQLW-UHFFFAOYSA-N,4,1,0.359,82,261,446.261,3.884,5,0.383,0.76,1.0,0.35579295456103077,0.5558049482557741,0.7551230210403673,0.8209941059557261,0.6219287574532246
EOS-4-02064,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)c(Cl)c4)n23)ccn1,TVQAGSZHWNQXFE-UHFFFAOYSA-N,4,1,0.595,11,595,436.834,4.255,5,0.367,0.61,1.0,0.9318072784593242,0.894781029401686,0.7570848468233843,0.7594064834487012,0.8357699095332739
EOS-4-02065,O=c1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cc2F)n[nH]1,RBARMVPGTHQAMY-UHFFFAOYSA-N,4,1,0.484,34,712,451.368,2.933,5,0.409,0.59,1.0,0.6624631622232884,0.6468113905832362,0.8140206291549585,0.8061133575491741,0.7323521348776643
EOS-4-02066,Fc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6cccc(F)c6)cn5)n34)nc2)nc1,MGLSSTDYPSFFNV-UHFFFAOYSA-N,4,1,0.342,32,20,463.451,5.256,6,0.355,0.76,1.0,0.2560910835446508,0.42951990953327396,0.8563412377492975,0.8828216023576178,0.6061934582962101
EOS-4-02067,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)nc3Cl)n12,MJFNFMZTMIPEFA-UHFFFAOYSA-N,4,1,0.512,58,271,448.849,3.452,5,0.364,0.6,1.0,0.8796518401754506,0.9064320471523541,0.4720289904735796,0.5017133849633335,0.6899565656911795
EOS-4-02069,FC(F)(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ncsn5)cc4)n23)nc1,ZBWFOVYTYDNWGX-UHFFFAOYSA-N,4,1,0.595,27,343,455.425,4.303,5,0.39,0.68,1.0,0.6499040504420533,0.6857566307998081,0.9298882873003906,0.8519207045438969,0.7793674182715372
EOS-4-02070,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)ccn2)ncn1,XXQWIALLJPBDCJ-UHFFFAOYSA-N,4,1,0.415,51,199,453.8,2.944,5,0.37,0.59,1.0,0.7848845178534714,0.7426495785072991,0.4860273456240148,0.5153090946473854,0.6322176341580427
EOS-4-02071,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnccc1F,ZPUCUYMVBVQXFG-UHFFFAOYSA-N,4,1,0.539,35,982,460.444,4.157,5,0.36,0.67,1.0,0.9242255499965732,0.8591854567884313,0.865276540333082,0.7996538962374066,0.8620853608388733
EOS-4-02072,Fc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,YMHIHWNONNVCAV-UHFFFAOYSA-N,4,1,0.56,35,0,436.834,4.255,5,0.393,0.65,1.0,0.8924422589267357,0.8591940237132479,0.7931601672263724,0.8104910561304914,0.8388218764992119
EOS-4-02073,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)c(F)c1,BWDZRKOOTBENCV-UHFFFAOYSA-N,4,1,0.505,48,678,442.401,3.504,4,0.455,0.81,1.0,0.6807364128572407,0.8396785689808787,0.8579261188403811,0.7362672195188815,0.7786520800493455
EOS-4-02074,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,IABWLIIGTDTNAK-UHFFFAOYSA-N,4,1,0.506,18,262,448.849,3.452,5,0.364,0.66,1.0,0.8907717085874854,0.9064406140771709,0.4510143238982935,0.4919899252964156,0.6850541429648414
EOS-4-02075,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2Cl)ncc1F,KHGIPDLIAMYFLN-UHFFFAOYSA-N,4,1,0.529,16,772,482.306,4.977,5,0.327,0.69,1.0,0.9522393941470769,0.9084367075594545,0.8020098005619902,0.8210026728805428,0.8709221437872662
EOS-4-02076,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(CNc5ccc(F)c(F)c5)n34)c(F)c2)s1,HPKWEPZSNLWCBS-UHFFFAOYSA-N,4,1,0.323,14,471,466.492,5.561,5,0.367,0.77,0.998,0.24033650880679872,0.3541652388458639,0.8194092248646426,0.7859982180796381,0.5499772976492359
EOS-4-02077,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,VPNCVJQDRKNKQJ-UHFFFAOYSA-N,4,1,0.671,90,400,404.232,4.254,4,0.498,0.79,1.0,0.9815982454937976,0.9859159756013981,0.8943526831608526,0.9353882530326914,0.9493137893221849
EOS-4-02078,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,ITGFZGPOZYCFIM-UHFFFAOYSA-N,4,1,0.558,35,386,447.861,4.057,5,0.387,0.77,1.0,0.9328610102117744,0.9449489411280927,0.7570934137482009,0.7906500582550887,0.8563883558357891
EOS-4-02079,N#Cc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,UULSIXVUHOYWEI-UHFFFAOYSA-N,4,1,0.506,11,201,453.893,4.395,5,0.351,0.69,1.0,0.9646614351312452,0.9482643410321431,0.7890823110136386,0.7929802618052224,0.8737470872455623
EOS-4-02080,O=C(c1ccc(-c2cncc3nnc(-c4cc(Cl)ccc4F)n23)cc1F)N1CCCC1,RYJFDEIHAPBRQC-UHFFFAOYSA-N,4,1,0.371,0,21,439.853,4.626,5,0.467,0.88,1.0,0.23200089096018092,0.3783068329792338,0.18592796929614144,0.6080374888629977,0.3510682955246385
EOS-4-02081,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cocn4)cc3Cl)n12,QHQKAUBEAXNPTA-UHFFFAOYSA-N,4,1,0.56,35,0,436.834,4.255,5,0.393,0.57,1.0,0.8470289904735796,0.8216366253169762,0.793168734151189,0.8081180179562745,0.8174880919745048
EOS-4-02082,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cnccn1,QXVXUBOBVFLYDB-UHFFFAOYSA-N,4,1,0.585,97,383,428.427,3.975,5,0.404,0.77,1.0,0.9482386402576931,0.8216451922417929,0.7851158248235214,0.692644438352409,0.8119110239188541
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EOS-4-02138,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncc1Cl,VSNIWOIFGXXCGT-UHFFFAOYSA-N,4,1,0.667,90,400,404.232,4.254,4,0.498,0.77,1.0,0.9827033787951477,0.9882547460763484,0.8920567473099856,0.9361678431910082,0.9497956788431225
EOS-4-02139,Fc1cc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,LLBOYZZBQIDXRG-UHFFFAOYSA-N,4,1,0.583,11,0,436.834,4.255,5,0.367,0.68,1.0,0.9242341169213899,0.8733722842848332,0.7506253855116167,0.7516362826399835,0.8249670173394558
EOS-4-02140,Cc1c(F)ccc(Oc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)c1Cl,RBMWBJWVZJGCJQ-UHFFFAOYSA-N,4,1,0.379,44,971,433.834,4.537,5,0.411,0.75,0.978,0.6268161880611336,0.6136745253923651,0.7332516619834144,0.7387002261668152,0.6781106504009321
EOS-4-02141,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc(Cl)n2)c1,JZUBDMHQMQUQPV-UHFFFAOYSA-N,4,1,0.553,75,583,447.861,4.057,5,0.362,0.63,0.998,0.8717188677952162,0.8529830032211637,0.6561836063326708,0.6954029881433761,0.7690721163731067
EOS-4-02142,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5n[nH]c(F)n5)c(F)c4)n23)c1,QZPBWONLPDMXHE-UHFFFAOYSA-N,4,1,0.552,47,164,438.373,3.01,5,0.434,0.65,1.0,0.8945325885820026,0.8620896443012817,0.666986498526489,0.6691196628058392,0.7731820985539032
EOS-4-02143,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(OC(F)F)c4)n23)cc1F,RSJGNSXWARASFI-UHFFFAOYSA-N,4,1,0.388,0,188,473.842,4.744,5,0.437,0.88,1.0,0.809728599821808,0.9256733602905901,0.9057895277911041,0.935396819957508,0.8941470769652525
EOS-4-02144,Fc1ccc(-c2ccc(CNCc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,ZCJUNDJTSWMAFC-UHFFFAOYSA-N,4,1,0.419,14,291,445.889,4.331,5,0.392,0.78,1.0,0.40316804879720375,0.49150161058186553,0.7805924885203207,0.8170190528407922,0.6230703001850456
EOS-4-02145,Fc1cc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)ccc1-c1nccs1,AWNZFXVILXORQL-UHFFFAOYSA-N,4,1,0.529,59,71,440.41,4.306,5,0.405,0.68,1.0,0.8352152011513947,0.8466177780823796,0.8357035158659447,0.8309231718182442,0.8371149167294909
EOS-4-02146,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1cscn1,PWPFKMDGEJOOAB-UHFFFAOYSA-N,4,1,0.548,59,526,456.865,4.82,5,0.377,0.7,1.0,0.8328164622027278,0.8361404290315948,0.8579346857651977,0.8800373517922007,0.8517322321979302
EOS-4-02147,Cc1nc(-c2cncc3nnc(-c4ccc(-c5cc(C(F)F)ncn5)cc4)n23)ncc1F,WYGMSBCPVPGYDY-UHFFFAOYSA-N,4,1,0.298,50,856,434.385,4.09,5,0.42,0.76,1.0,0.3946353916798026,0.49640189157699954,0.7357189363306148,0.6720752518675897,0.5747078678637516
EOS-4-02148,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cccnc1F,FVKOGTVGJPMJBY-UHFFFAOYSA-N,4,1,0.534,35,729,460.444,4.157,5,0.337,0.7,1.0,0.9568055650743609,0.8842437118771845,0.8389589472962785,0.7465903639229662,0.8566496470426975
EOS-4-02149,O=C(O)c1ccncc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1,OKOZPJMMTGTAIQ-UHFFFAOYSA-N,4,1,0.57,35,982,456.437,3.707,5,0.394,0.76,1.0,0.653005277225687,0.1493814680282366,0.6669950654513056,0.554982523473374,0.5060910835446508
EOS-4-02150,N#Cc1cc(-c2nnc3cncc(OCc4ncc(Br)cn4)n23)ccc1Cl,IGUHEUUDBZZTGS-UHFFFAOYSA-N,4,1,0.553,90,196,442.664,3.448,4,0.477,0.75,1.0,0.8671526968679323,0.9381982043725584,0.6779778630662737,0.7278116647248304,0.8027851072578986
EOS-4-02151,Fc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)n1,MYYWVBDKLYAVAA-UHFFFAOYSA-N,4,1,0.541,4,31,417.379,3.501,5,0.404,0.73,1.0,0.8174131313823589,0.7898019326982386,0.6779864299910904,0.6634826262764718,0.7371710300870399
EOS-4-02152,Cc1ccc(-c2nnc3cncc(-c4cc(OC(C)c5cccc(F)c5)ncn4)n23)c(F)c1,KQALFDHZXAZXSD-UHFFFAOYSA-N,4,1,0.386,96,140,444.445,4.975,5,0.381,0.65,0.995,0.5985539030909465,0.7469758755397162,0.9291515317661572,0.8967085874854362,0.7928474744705639
EOS-4-02153,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)c(F)c2)cn1,CHOYUHULJZAEBM-UHFFFAOYSA-N,4,1,0.494,16,772,437.385,3.583,5,0.391,0.7,1.0,0.6896974162154753,0.7006802138304434,0.8827445000342677,0.8428226303885957,0.7789861901171955
EOS-4-02154,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccc(F)cn1,PPDCLWGNGSGFPU-UHFFFAOYSA-N,4,1,0.516,11,777,460.444,4.157,5,0.337,0.7,1.0,0.9610376259337948,0.8790778562127339,0.787086217531355,0.7008686861764101,0.8320175964635735
EOS-4-02155,OCc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)cn5)c4)n23)cn1,LMGNMRIXGHMRHS-UHFFFAOYSA-N,4,1,0.484,55,109,447.405,2.993,5,0.423,0.71,1.0,0.7904787197587554,0.7332687958330477,0.7806010554451374,0.7200157631416627,0.7560910835446508
EOS-4-02156,Fc1ccc(Cn2ncc(-c3cncc4nnc(-c5ccc(Br)cc5)n34)n2)cc1F,WZBIPKVRFHXMAS-UHFFFAOYSA-N,4,1,0.453,45,730,468.265,4.139,5,0.397,0.77,1.0,0.38814166266876843,0.6136830923171819,0.7806096223699541,0.8534970187101638,0.658982849016517
EOS-4-02158,Fc1cnc(-c2cc(-c3nnc4cncc(OC5CCOCC5)n34)ccc2F)nc1,LLFWBQTVYBSEGI-UHFFFAOYSA-N,4,1,0.471,90,548,410.384,3.084,5,0.511,0.75,1.0,0.6715612363785896,0.5513587142759235,0.26312452881913506,0.4489582619422932,0.4837506853539853
EOS-4-02159,Fc1ccnc(CCc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)c1,QZUZUHHIBZOYSS-UHFFFAOYSA-N,4,1,0.344,14,487,415.407,3.707,5,0.435,0.79,1.0,0.46036083887327806,0.5513672812007402,0.653159481872387,0.7120570899869783,0.5942361729833459
EOS-4-02160,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)c(F)c2)nn1,YZWUWNPAJKBMNV-UHFFFAOYSA-N,4,1,0.5,34,332,465.851,4.462,5,0.378,0.68,1.0,0.887122198615585,0.9382067712973751,0.8140377630045919,0.8409636077033787,0.8700825851552326
EOS-4-02161,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5cscn5)c4)n23)n1,DUJNWHSEXNNXQR-UHFFFAOYSA-N,4,1,0.478,73,526,441.398,3.701,5,0.384,0.69,1.0,0.8019840997875403,0.8293211568775273,0.7021194571996436,0.7008772531012268,0.7585754917414845
EOS-4-02162,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccccn1,ZMEUVYZBDMYFGJ-UHFFFAOYSA-N,4,1,0.588,1,850,423.411,3.838,5,0.423,0.7,0.999,0.8558272222602974,0.8431653073812624,0.8058220821054074,0.7792046467000205,0.821004814611747
EOS-4-02163,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)ccn2)cc1F,AJJQCNQFPQULLN-UHFFFAOYSA-N,4,1,0.506,24,912,449.396,3.948,5,0.375,0.65,1.0,0.6559094647385375,0.6857737646494414,0.8160424234116921,0.7792132136248372,0.7342347166061272
EOS-4-02164,Fc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1nccs1,RPURJNBCHQWLHE-UHFFFAOYSA-N,4,1,0.552,11,595,454.437,4.349,5,0.355,0.66,1.0,0.92549345486944,0.9256819272154068,0.8306318963744774,0.8104996230553081,0.873076725378658
EOS-4-02165,Fc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1cscn1,BBVSFIDEDOQHOO-UHFFFAOYSA-N,4,1,0.552,11,595,470.892,4.863,5,0.33,0.71,1.0,0.935011308340758,0.9424045644575423,0.8652851072578988,0.8785467068741005,0.9053119217325749
EOS-4-02166,Fc1cc(-c2ccncn2)ccc1-c1nnc2cncc(OCC3COc4cccnc4O3)n12,NNGNDXDNERCPLX-UHFFFAOYSA-N,4,1,0.443,35,0,457.425,3.001,6,0.393,0.6,1.0,0.9381810705229251,0.9145449249537386,0.6088342128709479,0.5352528956205881,0.7492032759920499
EOS-4-02167,Fc1cc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)ccc1-c1cccnn1,TYCMYJVCGJIYAV-UHFFFAOYSA-N,4,1,0.552,35,386,447.861,4.057,5,0.387,0.69,1.0,0.9419076828181756,0.9438609416763758,0.7642810636693852,0.7996624631622233,0.86242803783154
EOS-4-02168,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)ccnc1Cl,ZOICIYKZGMQCME-UHFFFAOYSA-N,4,1,0.511,65,324,448.849,3.452,5,0.364,0.56,1.0,0.8558357891851142,0.9276009183743403,0.5803834555547941,0.5838187924062779,0.7369097388801317
EOS-4-02169,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4Cl)n23)ccn1,AWQMATBJHGSULE-UHFFFAOYSA-N,4,1,0.529,58,271,448.849,3.452,5,0.364,0.59,1.0,0.8977708861627031,0.912523130697005,0.5205349187855527,0.5421064354739222,0.7182338427797957
EOS-4-02170,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncco1,YRWCRGUFBUQMLA-UHFFFAOYSA-N,4,1,0.595,11,201,436.834,4.255,5,0.367,0.66,1.0,0.9554262901788774,0.8868908916455349,0.7457336714412994,0.7465989308477828,0.8336624460283737
EOS-4-02171,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5ccc(F)nc5)n4)n23)cn1,GSUYBRUTVZDGJI-UHFFFAOYSA-N,4,1,0.473,4,390,458.844,3.886,5,0.364,0.71,1.0,0.7323178671783976,0.8895038037146186,0.7758806798711535,0.7792217805496539,0.7942310328284559
EOS-4-02172,N#Cc1cc(-c2nnc3cncc(OCc4cccc(CCc5cncc(F)c5)n4)n23)ccc1Cl,JAFJAUDRINUCDK-UHFFFAOYSA-N,4,1,0.505,4,92,485.91,4.61,5,0.331,0.61,0.996,0.8945411555068192,0.9411109588102254,0.8404667260640121,0.8389932149955452,0.8787780138441506
EOS-4-02173,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cscn1,YBEQYIBHVQKTRB-UHFFFAOYSA-N,4,1,0.5,13,209,437.431,4.994,5,0.386,0.76,1.0,0.8796689740250839,0.7812778425056541,0.8874391748338016,0.8350095949557946,0.8458488965800837
EOS-4-02174,Cc1cccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)c1,JXCXAOPZYVNCEJ-UHFFFAOYSA-N,4,1,0.281,22,356,435.373,3.428,5,0.424,0.74,0.993,0.24294085395106574,0.285098690973888,0.7147642382290453,0.6317079021314509,0.4686279213213625
EOS-4-02175,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,BQBVRUWRGGETBT-UHFFFAOYSA-N,4,1,0.533,65,263,448.849,3.452,5,0.389,0.66,1.0,0.8924508258515523,0.9411195257350421,0.49258961003358237,0.5216914536358029,0.7119628538139949
EOS-4-02177,Cc1nc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1ncc(F)cn1,KRAXTQNJERDVMO-UHFFFAOYSA-N,4,1,0.44,46,665,449.396,3.948,5,0.401,0.71,1.0,0.8377767116715784,0.7640668905489686,0.7381433760537317,0.7306387499143308,0.7676564320471524
EOS-4-02179,Cc1cc(-c2nnc3cncc(OCCc4cnc(F)c(F)c4)n23)ccc1Cl,DUOXYWVUHIUTOQ-UHFFFAOYSA-N,4,1,0.603,90,281,401.804,4.048,4,0.472,0.73,1.0,0.9629480501679117,0.9760297443629635,0.9173291755191556,0.9163696799396889,0.94316916249743
EOS-4-02180,Cc1cnc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)cc2F)nc1,IGDQUZVNQBSNLS-UHFFFAOYSA-N,4,1,0.414,14,767,431.406,3.809,5,0.391,0.79,1.0,0.7169916386813789,0.7055976286752107,0.7071482420670276,0.6547529298882873,0.6961226098279762
EOS-4-02181,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)cc1F,IIWWJUYQJMVQBX-UHFFFAOYSA-N,4,1,0.5,58,28,449.396,3.682,5,0.365,0.6,1.0,0.8796775409499006,0.8993814680282366,0.7021280241244603,0.6980416009869097,0.7948071585223768
EOS-4-02182,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(Cl)c(C(F)F)c5)n34)c2)o1,NNBPQPPSUHFNCA-UHFFFAOYSA-N,4,1,0.541,43,909,468.851,5.32,5,0.333,0.76,1.0,0.8961260365979028,0.9305822082105407,0.9106469741621548,0.8785552737989172,0.9039776231923788
EOS-4-02183,Fc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,BIABAZRDUYIDHZ-UHFFFAOYSA-N,4,1,0.534,35,161,431.406,3.543,5,0.406,0.7,1.0,0.7961328901377561,0.7469844424645329,0.7594236172983346,0.7541720923857173,0.7641782605715852
EOS-4-02184,C#CCCn1c(C)nnc1Cc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12,FZVZPJOZGQKCOM-UHFFFAOYSA-N,4,1,0.368,66,455,411.391,3.324,4,0.471,0.69,1.0,0.32479782057432666,0.2904016174354054,0.6352717428551847,0.6257367555342335,0.4690519840997876
EOS-4-02185,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4F)n23)ccn1,ODXDYAADOKIBBT-UHFFFAOYSA-N,4,1,0.523,58,271,432.394,2.938,5,0.377,0.67,1.0,0.8890411897745185,0.839695702830512,0.5441881982043726,0.5082927832225345,0.6953044685079843
EOS-4-02186,Fc1cccc(-c2cnccc2-c2nnc3cncc(-c4cnc(-c5cccnc5)cn4)n23)c1,IMYOPMKXMXERDC-UHFFFAOYSA-N,4,1,0.375,42,72,446.449,4.511,6,0.393,0.79,1.0,0.2696353916798026,0.3830529093276677,0.6942378863683092,0.7413902405592488,0.5220791069837571
EOS-4-02187,Fc1cnc(-c2ccc(-c3nnc4cncc(OC5CCOCC5)n34)cc2F)nc1,IFMHFQDEXXWYDU-UHFFFAOYSA-N,4,1,0.473,90,548,410.384,3.084,5,0.511,0.74,1.0,0.7079278322253444,0.5467068741004729,0.2669796449866356,0.4458741690082928,0.49187213008018643
EOS-4-02188,OCC#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,YACPIDQCGDIAPL-UHFFFAOYSA-N,4,1,0.539,90,636,440.29,3.458,4,0.479,0.68,0.997,0.8833613186210678,0.9219981495442396,0.8801144541155507,0.8828301692824344,0.8920760228908232
EOS-4-02190,Cn1cncc1-c1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)cc1F,DLAQOEDCXMIDJB-UHFFFAOYSA-N,4,1,0.35,45,471,451.868,4.736,5,0.418,0.78,1.0,0.312487149612775,0.41155506819272153,0.9154787197587554,0.9120947844561716,0.637903930505106
EOS-4-02191,Fc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c1,HRBDIBPEKNCIRF-UHFFFAOYSA-N,4,1,0.477,59,109,417.379,3.501,5,0.432,0.72,1.0,0.7107891851141115,0.6565262833253376,0.8213196490987595,0.8170276197656089,0.7514156843259544
EOS-4-02192,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1cc[nH]n1,NUVVLXRCXKZZTL-UHFFFAOYSA-N,4,1,0.522,88,273,453.84,4.13,5,0.388,0.53,1.0,0.9392519361250086,0.9256904941402234,0.8669128229730656,0.8757367555342335,0.9018980021931327
EOS-4-02193,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccnc(-c5ccco5)c4)n23)c1F,DVYDDUBZZHIBDU-UHFFFAOYSA-N,4,1,0.535,75,583,454.824,4.394,5,0.351,0.61,1.0,0.892459392776369,0.7598176958399013,0.7912411760674388,0.8081265848810911,0.8129112123912001
EOS-4-02194,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cnco1,GBPBWYCPOMTCJT-UHFFFAOYSA-N,4,1,0.529,97,103,435.39,4.312,5,0.393,0.69,1.0,0.9537129052155439,0.776951545473237,0.9143564526077719,0.8501559180316633,0.873794205332054
EOS-4-02195,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)n4)n23)ccn1,DUNCHWAIBHDOAH-UHFFFAOYSA-N,4,1,0.473,44,578,431.406,3.543,5,0.38,0.71,1.0,0.820145980398876,0.7239822493317799,0.567670139126859,0.5773935987937769,0.672297991912823
EOS-4-02196,Cc1cc(C)nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)c(F)n2)c1,XKURTWJNXXMDSP-UHFFFAOYSA-N,4,1,0.435,58,97,463.423,4.256,5,0.36,0.58,1.0,0.8328250291275444,0.8293297238023439,0.7851329586731547,0.7120656569117949,0.7898383421287094
EOS-4-02197,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)nc3F)n12,PHMZZWNRETYGEH-UHFFFAOYSA-N,4,1,0.506,58,271,432.394,2.938,5,0.377,0.65,1.0,0.8402011513946953,0.8216623260914262,0.554468507984374,0.5285706942635872,0.6862256699335207
EOS-4-02198,Cc1nc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1ncc(F)cn1,KGGMJQRTIKCOCK-UHFFFAOYSA-N,4,1,0.44,73,665,449.396,3.948,5,0.401,0.65,1.0,0.8445874169008293,0.759826262764718,0.7357275032554315,0.7306473168391474,0.7676971249400315
EOS-4-02199,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccncn4)nc3Cl)n12,QEQARMPGICTVME-UHFFFAOYSA-N,4,1,0.506,58,271,448.849,3.452,5,0.364,0.61,1.0,0.8605475978342814,0.8815365636351176,0.5476835035295731,0.5743180727845932,0.7160214344458913
EOS-4-02200,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCC3CCCC3(F)F)n12,ONDUWGLJPDXCGB-UHFFFAOYSA-N,4,1,0.5,78,548,415.379,3.53,5,0.536,0.55,1.0,0.7262096497841135,0.7640754574737852,0.5803920224796107,0.7387087930916318,0.7023464807072853
EOS-4-02201,N#CCCc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cn1,SCYSSIMHORMXLQ-UHFFFAOYSA-N,4,1,0.571,90,636,415.844,3.747,4,0.471,0.78,1.0,0.8992786649304366,0.9165752861352888,0.82496915907066,0.8105081899801247,0.8628328250291275
EOS-4-02202,N#Cc1cc(-c2nnc3cncc(OCc4ccc(C(F)(F)F)nn4)n23)ccc1-c1nccs1,FIPJLOBFQHTDLE-UHFFFAOYSA-N,4,1,0.494,27,52,480.435,4.174,5,0.368,0.64,0.999,0.662471729148105,0.7727366184634363,0.8943612500856692,0.7860067850044548,0.7788940956754163
EOS-4-02203,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(C)(F)F)nc4)n23)c(F)c1F,LHSIZFKERXCLOT-UHFFFAOYSA-N,4,1,0.333,66,129,430.365,3.603,4,0.5,0.78,1.0,0.3582602289082311,0.46937324378041256,0.952445000342677,0.8701682544033994,0.66256168185868
EOS-4-02204,Fc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)cn2)c1F,YYNQXTSQSFQZBF-UHFFFAOYSA-N,4,1,0.544,84,429,435.459,4.815,5,0.383,0.78,1.0,0.8890497566993352,0.8529915701459804,0.8504043588513467,0.8465749434582962,0.8597551572887396
EOS-4-02205,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cnccn5)cc4F)n23)cc1F,AORFOBOTTNEULQ-UHFFFAOYSA-N,4,1,0.375,96,648,445.389,3.418,5,0.44,0.73,1.0,0.6156363511753821,0.5009509286546501,0.761865190871085,0.6980501679117264,0.6441256596532108
EOS-4-02206,Fc1cc(F)nc(COc2cncc3nnc(-c4cc(Cl)cc(-c5cccnn5)c4)n23)c1,YTLAHJUCRQJLSW-UHFFFAOYSA-N,4,1,0.547,34,712,451.824,4.154,5,0.371,0.74,1.0,0.5810945103145775,0.7284199163868138,0.8437221574943459,0.8667157837022822,0.7549880919745048
EOS-4-02207,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)nn2)cn1,ZEEFURWZGXNREE-UHFFFAOYSA-N,4,1,0.391,54,724,452.812,4.071,5,0.402,0.56,0.987,0.747344253306833,0.7239908162565966,0.7046552669453773,0.7120742238366116,0.7220161400863545
EOS-4-02208,Fc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1-c1cscn1,AZRBAGYRUYIASE-UHFFFAOYSA-N,4,1,0.523,59,526,456.865,4.82,5,0.377,0.72,1.0,0.7876944691933384,0.853000137070797,0.8594767322321979,0.8828387362072511,0.8457525186758961
EOS-4-02209,CCNC1CCc2cc(-c3cncc4nnc(-c5ccc(C(F)(F)F)cn5)n34)ccc21,XHQXDDPCCSKHQZ-UHFFFAOYSA-N,4,1,0.28,66,825,424.43,4.469,5,0.524,0.71,1.0,0.14912446028373655,0.10461928586114728,0.9662805839215955,0.9326811047906244,0.5381763587142759
EOS-4-02210,COc1cc(-c2nnc3cncc(OCc4c(OC)ncc(F)c4F)n23)ccc1-c1ccncc1,CRMRJMWVEZVFPT-UHFFFAOYSA-N,4,1,0.477,97,103,476.443,4.123,5,0.346,0.65,1.0,0.8377852785963951,0.7056061956000275,0.7953532999794394,0.6405147008429855,0.7448148687547118
EOS-4-02211,NC(=O)c1ccc(-c2cncc3nnc(-c4cnc(-c5c(F)cccc5F)nc4)n23)cc1F,JGVCCJOEUNHJHQ-UHFFFAOYSA-N,4,1,0.365,45,46,447.38,3.432,5,0.452,0.79,1.0,0.30701288465492427,0.37831539990405044,0.7806181892947708,0.7974950311836063,0.5658603762593379
EOS-4-02212,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)c(F)c4)n23)ccc1F,OEDMULQMTZJEHP-UHFFFAOYSA-N,4,1,0.517,4,702,442.389,3.372,5,0.407,0.71,1.0,0.7649664176547186,0.8099256390925913,0.8404752929888287,0.8081351518059078,0.8058756253855116
EOS-4-02214,Fc1cnc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,LNXJEHKGBQKRQK-UHFFFAOYSA-N,4,1,0.5,75,183,422.42,4.167,5,0.396,0.74,1.0,0.8328335960523611,0.6565348502501542,0.7829055582208211,0.7594236172983346,0.7579244054554177
EOS-4-02215,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cc1F,GYGQTGMNAJIDKC-UHFFFAOYSA-N,4,1,0.767,91,781,435.459,4.815,5,0.383,0.78,1.0,0.9635563018298952,0.9514598039887602,0.8624494551435816,0.8428311973134124,0.9050741895689123
EOS-4-02216,Cc1cc(-c2nnc3cncc(OCCc4nccc(C(F)F)n4)n23)ccc1Cl,RZJHRLNPHRSCNW-UHFFFAOYSA-N,4,1,0.536,90,636,416.819,4.102,4,0.471,0.68,1.0,0.8924679597011856,0.9525135357412103,0.7736104447947365,0.7466074977725995,0.841299859502433
EOS-4-02217,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1F,ZUHWVRQQFPQLRO-UHFFFAOYSA-N,4,1,0.542,59,293,436.397,4.188,5,0.413,0.7,1.0,0.9267527928174902,0.8707850729901995,0.9247824001096566,0.9073487081077376,0.907417243506271
EOS-4-02218,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)cc4F)n23)ccn1,DZDNXRHOMFBHPO-UHFFFAOYSA-N,4,1,0.605,35,352,420.379,3.741,5,0.387,0.76,1.0,0.9242426838462066,0.8466263450071962,0.8038688232472072,0.7695925570557193,0.8360826022890823
EOS-4-02219,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ncco1,SIJPBZDDYCRYJS-UHFFFAOYSA-N,4,1,0.565,35,429,436.834,4.255,5,0.393,0.66,1.0,0.9508344184771435,0.8763193064217668,0.7434034678911657,0.7594321842231513,0.8324973442533068
EOS-4-02220,Fc1ncccc1CCCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,GDCWVJVXGGYQFC-UHFFFAOYSA-N,4,1,0.459,65,262,462.876,3.842,5,0.265,0.66,1.0,0.8717274347200329,0.9165838530601056,0.3439962990884792,0.4110324857789048,0.6358350181618806
EOS-4-02221,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1cncs1,ZXHQBBWCPXZWAD-UHFFFAOYSA-N,4,1,0.585,35,265,470.892,4.863,5,0.352,0.69,1.0,0.932869577136591,0.9353368514837914,0.8801230210403673,0.8952864779658694,0.9109039819066549
EOS-4-02222,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3cnc(Cl)c(F)c3)n12,YNHWAFPWWBJUOG-UHFFFAOYSA-N,4,1,0.312,14,291,469.908,4.531,5,0.368,0.72,1.0,0.33248235213487765,0.3783239668288671,0.8140463299294085,0.8390017819203619,0.5909636077033789
EOS-4-02224,COc1c(-c2ccccc2)ccc(-c2nnc3cncc(OCCc4cccnc4)n23)c1F,DBVYJKZZEBONSD-UHFFFAOYSA-N,4,1,0.617,91,955,441.466,4.623,5,0.367,0.77,1.0,0.9148104996230553,0.8397042697553286,0.7594321842231513,0.6895432115687753,0.8008725412925777
EOS-4-02225,Cc1nc(Oc2cncc3nnc(-c4ccnc(-c5cc(C#N)c(F)cn5)c4)n23)ccc1F,SPGFOZWYJVVFLS-UHFFFAOYSA-N,4,1,0.387,24,912,442.389,3.894,5,0.412,0.7,1.0,0.784893084778288,0.710206634226578,0.797709204304023,0.7306558837639641,0.7558662017682132
EOS-4-02226,N#Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)cc1F,QYFUQLDYZMYEDY-UHFFFAOYSA-N,4,1,0.562,97,183,428.452,4.505,5,0.409,0.8,1.0,0.8671612637927489,0.7284284833116305,0.8907203070385854,0.8634860530463985,0.8374490267973408
EOS-4-02227,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1F,NJJFBCIGCSYLTF-UHFFFAOYSA-N,4,1,0.517,59,607,450.424,4.671,5,0.376,0.67,1.0,0.8833698855458845,0.797863408950723,0.8943698170104859,0.8772274004523336,0.8632076279898567
EOS-4-02228,Fc1cc(Cl)cc(COc2cncc3nnc(-c4cnc(-c5cccnc5)cn4)n23)c1,GXDBMNFPFGHYLF-UHFFFAOYSA-N,4,1,0.506,46,16,433.834,4.015,5,0.413,0.78,1.0,0.7621050647659516,0.7332773627578645,0.7434120348159825,0.7883541224042218,0.7567871461860052
EOS-4-02229,COc1ccc(-c2cccc(-c3cncc4nnc(-c5ccc(F)cc5F)n34)n2)cn1,SKFRTWGFNDQTIB-UHFFFAOYSA-N,4,1,0.422,96,140,416.391,4.202,5,0.437,0.8,1.0,0.5229936262079364,0.7598348296895346,0.8194177917894593,0.7860153519292715,0.7220653999040505
EOS-4-02230,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5cccnc5F)n34)ccc2F)n1,CTAJLZPKKJQORV-UHFFFAOYSA-N,4,1,0.511,97,253,431.406,3.809,5,0.391,0.76,1.0,0.9473648139263929,0.8293382907271606,0.702136591049277,0.6463573435679528,0.7812992598176958
EOS-4-02231,Fc1cccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)n5)n34)ccn2)c1,WAVHMUFWPSYGHK-UHFFFAOYSA-N,4,1,0.565,1,31,416.391,4.106,5,0.402,0.85,1.0,0.6268247549859502,0.6663354122404221,0.8232472071825098,0.82478925364951,0.735299157014598
EOS-4-02232,Clc1cnc(-c2cncc3nnc(-c4ccc(Cl)c(-c5cccnc5)c4)n23)nc1,CGDYCYDHPOLOBL-UHFFFAOYSA-N,4,1,0.361,73,856,420.263,4.617,5,0.424,0.77,1.0,0.28847405935165515,0.48696970735384826,0.7381519429785485,0.8602734562401481,0.59346729148105
EOS-4-02233,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(F)c(-c5ccc(F)nc5)c4)n23)cc1F,ITVYYMSWDPFRSI-UHFFFAOYSA-N,4,1,0.341,96,648,447.38,3.432,5,0.423,0.81,1.0,0.2774055924885203,0.3495219655952299,0.8708621753135495,0.8519292714687136,0.5874297512165033
EOS-4-02234,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccnc(F)c1,MOWGDOWKSSRIJU-UHFFFAOYSA-N,4,1,0.522,35,982,460.444,4.157,5,0.337,0.69,1.0,0.9267613597423069,0.8530087039956137,0.8594852991570145,0.7837536837776712,0.8557522616681515
EOS-4-02235,N#Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)c(F)c4)n23)c1Cl,UTBJMZOWJXWUFC-UHFFFAOYSA-N,4,1,0.549,11,595,461.844,4.127,5,0.37,0.69,1.0,0.9583561784661778,0.9237886368309232,0.812281543417175,0.8081437187307244,0.8756425193612501
EOS-4-02236,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cc1,FVYZMBMSMWQUDY-UHFFFAOYSA-N,4,1,0.421,66,455,463.37,3.186,4,0.441,0.76,1.0,0.2668597080392022,0.38306147625248443,0.9264957850729902,0.79967103008704,0.5940219998629293
EOS-4-02237,Fc1cnc(CNCc2cncc3nnc(-c4ccc(-c5cncs5)cc4F)n23)c(F)c1,PZUQXVVBHJZPGG-UHFFFAOYSA-N,4,1,0.327,14,291,453.453,4.017,5,0.418,0.67,1.0,0.3766619834144336,0.40666335412240423,0.7434206017407992,0.7718713590569529,0.5746543245836475
EOS-4-02239,N#Cc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cncs1,USMNONLKTBECNX-UHFFFAOYSA-N,4,1,0.608,97,230,428.452,4.505,5,0.409,0.77,1.0,0.9255020217942568,0.8620982112260983,0.8863083407580015,0.8731495442395998,0.886764529504489
EOS-4-02240,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3F)n12,XLSVLGFKIXTAFR-UHFFFAOYSA-N,4,1,0.506,18,262,432.394,2.938,5,0.377,0.68,1.0,0.8758395586320334,0.84977897333973,0.44380954012747587,0.4426273045027757,0.6530138441505038
EOS-4-02241,COc1nc(C(F)F)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,MFUVRGQMEVXDLK-UHFFFAOYSA-N,4,1,0.512,90,636,432.818,3.802,4,0.41,0.64,1.0,0.8671698307175656,0.8293468576519772,0.755131587965184,0.6405232677678021,0.7730428860256322
EOS-4-02242,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)c1F,UEEQEOIGGSLYJW-UHFFFAOYSA-N,4,1,0.468,58,28,449.396,3.682,5,0.365,0.6,1.0,0.860556164759098,0.8923480227537524,0.6561921732574875,0.6691282297306559,0.7695561476252485
EOS-4-02244,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c2)nc1,HSGMSOIZERBZAW-UHFFFAOYSA-N,4,1,0.494,2,491,418.367,2.896,5,0.402,0.72,1.0,0.7821002672880543,0.6184805702145157,0.5932424097046124,0.5583493249263245,0.6380431430333768
EOS-4-02245,Fc1cc(F)c(F)c(CNCc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)c1,TZWWWEINNBWJPT-UHFFFAOYSA-N,4,1,0.321,14,291,471.443,4.156,5,0.228,0.62,1.0,0.3070214515797409,0.3970598314029196,0.8563498046741141,0.8602820231649647,0.6051782777054349
EOS-4-02246,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cn2)nnc1F,UEDKQXYLEAXFES-UHFFFAOYSA-N,4,1,0.506,59,16,449.396,3.948,5,0.401,0.61,1.0,0.8558443561099308,0.8497875402645466,0.8160509903365089,0.7929888287300391,0.8286679288602563
EOS-4-02247,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3Cl)n12,ZIVNPVHELXBUGH-UHFFFAOYSA-N,4,1,0.714,11,143,451.914,5.329,5,0.326,0.73,1.0,0.8445959838256459,0.9064577479268042,0.795361866904256,0.8368857514906449,0.8458253375368378
EOS-4-02248,Fc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,XCPNHCMHBPGLNN-UHFFFAOYSA-N,4,1,0.583,11,0,436.834,4.255,5,0.367,0.69,1.0,0.9229062435748064,0.8763278733465835,0.7851415255979713,0.7953532999794394,0.8449322356247002
EOS-4-02249,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)cc1F,ASKIZCSOCOQWAM-UHFFFAOYSA-N,4,1,0.679,84,28,454.437,4.349,5,0.355,0.67,1.0,0.9280292646151738,0.9237972037557398,0.8249777259954767,0.8170361866904257,0.873460095264204
EOS-4-02250,Fc1ccc(COc2cncc3nnc(-c4ccccc4Cl)n23)nc1-c1cncnc1,MDUGTRFMYOZLCD-UHFFFAOYSA-N,4,1,0.512,4,817,433.834,4.015,5,0.413,0.74,1.0,0.6156449181001987,0.7855013364402714,0.7071568089918443,0.7594407511479679,0.7169359536700707
EOS-4-02251,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)c1,RVCKRVKTXRIRAV-UHFFFAOYSA-N,4,1,0.478,47,164,424.346,2.968,5,0.432,0.7,1.0,0.8833784524707011,0.8216708930162429,0.785150092522788,0.7646408745116853,0.8137100781303543
EOS-4-02252,Cc1cnnc(-c2ccc(-c3nnc4cncc(Oc5ncc(F)cc5Cl)n34)cc2F)n1,FDTOTBZZANEOEZ-UHFFFAOYSA-N,4,1,0.4,73,706,452.812,4.071,5,0.402,0.64,1.0,0.8470375573983963,0.8293554245767939,0.6476252484408197,0.6780463984648071,0.7505161572202043
EOS-4-02253,Fc1cc(-c2ccc(CNCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)ccn1,XARZMQUBPTXYIO-UHFFFAOYSA-N,4,1,0.352,14,430,462.439,4.01,5,0.365,0.74,1.0,0.3627321636625317,0.35921115756288124,0.8323281474881776,0.7594493180727846,0.5784301966965938
EOS-4-02254,FCc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)nn2)ccn1,JQDGHQRORHAKOI-UHFFFAOYSA-N,4,1,0.424,54,691,465.851,4.484,5,0.365,0.69,0.982,0.6411229525049689,0.7284370502364471,0.8038773901720239,0.8288414090877938,0.7505697005003085
EOS-4-02255,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ncccc1F,FMHFTKVNLBJPGT-UHFFFAOYSA-N,4,1,0.539,11,729,460.444,4.157,5,0.337,0.69,1.0,0.9430727845932424,0.843173874306079,0.7977177712288397,0.7092814063463779,0.8233114591186348
EOS-4-02256,CCCCCCCOc1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1,ULNUHDQOQGMXDN-UHFFFAOYSA-N,4,1,0.549,5,548,449.53,5.296,4,0.273,0.86,1.0,0.8558529230347475,0.8138321568089918,0.21003529573024468,0.2461448838324995,0.5314663148516209
EOS-4-02257,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)cn1,HVMZOQKOYCVDND-UHFFFAOYSA-N,4,1,0.5,47,164,424.346,2.968,5,0.432,0.58,1.0,0.9041446782263038,0.809934206017408,0.8160595572613255,0.795361866904256,0.8313750771023234
EOS-4-02258,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5nccs5)ccn4)n23)cc1F,ZOJCWMCYADUYJF-UHFFFAOYSA-N,4,1,0.448,59,445,440.41,4.306,5,0.379,0.68,1.0,0.6470341306284696,0.590004112123912,0.8708707422383661,0.8602905900897814,0.7420498937701323
EOS-4-02259,FC(F)(F)c1ccc(-c2nnc3cncc(Cc4cnc(CC5CC5)nn4)n23)nc1,AEKWBNOGYVEYRC-UHFFFAOYSA-N,4,1,0.323,68,455,412.379,2.933,5,0.497,0.66,1.0,0.22372524158727983,0.27462990884791993,0.3333647453909944,0.5017219518881503,0.33336046192858615
EOS-4-02260,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4cc(-c5nccs5)ccn4)n23)c1,IMZYFDKRYZZWLA-UHFFFAOYSA-N,4,1,0.443,59,692,440.41,4.306,5,0.379,0.62,1.0,0.6183263655678157,0.5850952642039613,0.8594938660818313,0.85016448495648,0.728269995202522
EOS-4-02261,Fc1ccccc1-c1cc(-c2nnc3cncc(OCCc4nc(Cl)cnc4F)n23)ccn1,QTRFQXUZUKTXDZ-UHFFFAOYSA-N,4,1,0.505,11,525,465.851,4.196,5,0.371,0.62,1.0,0.9280378315399904,0.8842522788020012,0.6385443081351518,0.7252587211294633,0.7940232849016516
EOS-4-02262,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)cc2F)nc1,XLOKXHLQELILDE-UHFFFAOYSA-N,4,1,0.578,37,325,432.394,2.938,5,0.403,0.68,1.0,0.9466109245425263,0.9305907751353574,0.5544770749091906,0.5452590638064561,0.7442344595983825
EOS-4-02264,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)nc1-c1ccsc1,SCFJNIZCFLYUIS-UHFFFAOYSA-N,4,1,0.495,27,390,470.436,4.629,5,0.343,0.77,1.0,0.7232968953464465,0.8466349119320129,0.8579432526900144,0.8040315948187239,0.8079766636967994
EOS-4-02265,CCOc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1C(F)(F)F,WNRNNAIIJWKWGJ-UHFFFAOYSA-N,4,1,0.378,0,188,485.441,4.907,5,0.393,0.85,1.0,0.5985624700157631,0.6954715235419094,0.9420961551641422,0.902825371804537,0.7847388801315879
EOS-4-02266,CCc1cc(-c2cncc3nnc(-c4cnc(C(C)(F)F)nc4)n23)ncc1C(F)F,YVEBSVJDOQYHGW-UHFFFAOYSA-N,4,1,0.284,68,364,417.37,4.255,4,0.452,0.68,0.998,0.2644010006168186,0.37353505585634983,0.8990816256596532,0.7438232472071825,0.570210232335001
EOS-4-02267,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(F)cc5F)n34)ccc2F)c1,QCWDXSCFXOVONP-UHFFFAOYSA-N,4,1,0.61,88,70,450.424,4.231,5,0.387,0.7,1.0,0.9255105887190734,0.9064663148516209,0.9191453635802892,0.9052926461517373,0.9141037283256802
EOS-4-02268,Fc1cnccc1OCc1cncc2nnc(-c3ccc(-c4cccnn4)c(F)c3)n12,GWMAHNMVCXUSBK-UHFFFAOYSA-N,4,1,0.408,14,487,417.379,3.501,5,0.432,0.75,1.0,0.6807449797820574,0.6136916592419985,0.7953704338290727,0.7766345692550202,0.7166104105270372
EOS-4-02269,COc1cc(-c2nnc3cncc(CNCc4cc(F)cc(F)c4Cl)n23)ccc1-c1cccnc1,OCHSXIAHIONOKP-UHFFFAOYSA-N,4,1,0.374,14,291,492.917,5.083,5,0.319,0.75,1.0,0.5407442944280721,0.5558135151805907,0.9358937015968748,0.9206274415735728,0.7382697381947777
EOS-4-02270,Cc1cc(-c2cncc3nnc(-c4ccc(-c5ccccc5OC5CC5)cc4)n23)ncc1F,SGAIHYCONLEULM-UHFFFAOYSA-N,4,1,0.36,62,366,437.478,5.509,6,0.363,0.76,1.0,0.5356041395380714,0.5745493797546433,0.7571019806730176,0.8105167569049414,0.6694430642176683
EOS-4-02271,Cc1nc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1-c1cccnc1,QCTUXSDZLKWCBN-UHFFFAOYSA-N,4,1,0.422,59,332,430.418,4.414,5,0.411,0.7,1.0,0.7705177849359194,0.6321619491467343,0.8268110479062436,0.8081522856555411,0.7594107669111096
EOS-4-02272,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)c(Cl)c1,BZXWGYRLKDPPNX-UHFFFAOYSA-N,4,1,0.44,23,678,431.258,3.948,4,0.499,0.84,1.0,0.33249091905969436,0.4428072099239257,0.854859159756014,0.8731581111644164,0.6258288499760126
EOS-4-02273,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)c(F)n2)nn1,UVURDLTUQYWSJB-UHFFFAOYSA-N,4,1,0.5,58,271,466.839,3.591,5,0.35,0.6,1.0,0.9188883558357892,0.9256990610650401,0.5998046741141799,0.651951545473237,0.7740859091220615
EOS-4-02274,Fc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,DQTCLQMANQFAGP-UHFFFAOYSA-N,4,1,0.541,65,262,448.849,3.452,5,0.364,0.68,1.0,0.9103899664176547,0.9201648276334727,0.3855630182989514,0.4363477486121582,0.6631163902405592
EOS-4-02276,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5cc(F)ncn5)c4)n23)ccc1F,CMGVAJXTMOEERU-UHFFFAOYSA-N,4,1,0.484,24,486,443.377,2.767,5,0.377,0.62,1.0,0.6957370982112261,0.7102152011513947,0.6385528750599685,0.5808118017956274,0.6563292440545542
EOS-4-02278,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3Cl)n12,MIKGZUMOQVSOEI-UHFFFAOYSA-N,4,1,0.506,18,262,448.849,3.452,5,0.364,0.59,1.0,0.8924765266260023,0.8993900349530533,0.43648481940922484,0.48897436776094855,0.6793314371873073
EOS-4-02279,Fc1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1nc[nH]n1,HJWQAORTXLCISC-UHFFFAOYSA-N,4,1,0.489,47,164,424.346,2.968,5,0.432,0.59,1.0,0.8977794530875197,0.8099427729422246,0.7806267562195874,0.7696011239805359,0.8144875265574669
EOS-4-02281,FC(F)c1cc(-c2nnc3cncc(OCc4ncc(-c5cocn5)cn4)n23)ccc1Cl,SQQSVQDDBITXOU-UHFFFAOYSA-N,4,1,0.488,27,969,455.812,4.406,5,0.371,0.65,1.0,0.8493934617229799,0.9105270372147214,0.8534884517853472,0.8210112398053595,0.858605047632102
EOS-4-02282,Clc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cnccn1,DYVFLLULCDUQHT-UHFFFAOYSA-N,4,1,0.633,35,393,429.871,3.918,5,0.404,0.78,1.0,0.8796861078747172,0.9182886710986224,0.6504266328558701,0.6634911932012885,0.7779731512576245
EOS-4-02283,Cc1cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)cc(-c2ccc(F)nc2)n1,TYMAJUFDWRKLDQ-UHFFFAOYSA-N,4,1,0.462,73,526,449.396,3.948,5,0.375,0.6,1.0,0.680753546706874,0.7284456171612638,0.8038859570968405,0.7696096909053526,0.7456737029675827
EOS-4-02284,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,AFIDPNQXPIIOQB-UHFFFAOYSA-N,4,1,0.533,65,263,448.849,3.452,5,0.364,0.66,1.0,0.9339061750394079,0.9449575080529093,0.43649338633404156,0.467891165787129,0.695812058803372
EOS-4-02286,COc1cc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)ccc1-c1cccnc1,WDBNKQWSPFFBNT-UHFFFAOYSA-N,4,1,0.536,35,982,460.444,4.157,5,0.36,0.7,1.0,0.9161383729696388,0.8678209170036324,0.8249862929202934,0.7541806593105339,0.8407815605510247
EOS-4-02287,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)cn1,PJAWZPWGOZUTRV-UHFFFAOYSA-N,4,1,0.512,35,76,431.406,3.543,5,0.38,0.7,1.0,0.8758481255568501,0.892356589678569,0.7332602289082311,0.6980587348365431,0.7998809197450484
EOS-4-02288,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(Cl)n2)nc1,MJQNXDPJHUVBGP-UHFFFAOYSA-N,4,1,0.541,65,262,448.849,3.452,5,0.364,0.61,1.0,0.902516962511137,0.9039390720307039,0.3818192721540676,0.43635631553697485,0.6561579055582207
EOS-4-02290,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)cn1,FPTREJLGASNIKW-UHFFFAOYSA-N,4,1,0.512,97,992,422.42,4.167,5,0.396,0.74,1.0,0.8280789527791104,0.7685473922280858,0.8213282160235762,0.797503598108423,0.8038645397847989
EOS-4-02293,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1cnco1,IRDLCDVJGGCQSX-UHFFFAOYSA-N,4,1,0.518,97,103,451.845,4.826,5,0.365,0.72,1.0,0.9362192447399081,0.8431824412308958,0.902516962511137,0.8651566033856487,0.8867688129668975
EOS-4-02294,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5nc[nH]n5)c4)n23)c1,YUDLNNOGRLVOQR-UHFFFAOYSA-N,4,1,0.506,47,164,424.346,2.968,5,0.432,0.59,1.0,0.9202676307312727,0.8431910081557125,0.7851586594476047,0.7742872318552533,0.8307261325474607
EOS-4-02295,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,KBZSVJFKZCTNMI-UHFFFAOYSA-N,4,1,0.588,72,386,447.861,4.057,5,0.362,0.72,1.0,0.9381896374477418,0.952522102666027,0.7381605099033651,0.7619679939688849,0.8477100609965047
EOS-4-02296,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncco1,NRWMCVQQIPEVEC-UHFFFAOYSA-N,4,1,0.595,11,595,436.834,4.255,5,0.367,0.65,1.0,0.9439894455486258,0.8815451305599342,0.7571105475978342,0.7594578849976013,0.8355257521759989
EOS-4-02297,N#Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccccc1C(F)F,USQOAOFUPZXIFN-UHFFFAOYSA-N,4,1,0.478,1,418,489.873,5.29,5,0.319,0.6,1.0,0.8581916935096977,0.9220067164690563,0.954561030772394,0.9482900418065932,0.9207623706394352
EOS-4-02298,Fc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,JCEZALZXPAJRNM-UHFFFAOYSA-N,4,1,0.571,11,0,420.379,3.741,5,0.387,0.68,1.0,0.8833870193955178,0.7898104996230553,0.7482009457884997,0.7252672880542801,0.7866664382153382
EOS-4-02299,FC1(F)Cc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)cnc2nnC2C1,AZCSXMSUWJZRAL-UHFFFAOYSA-N,4,1,0.376,78,792,414.807,3.928,5,0.607,0.41,0.312,0.2560996504694675,0.41618977451853884,0.15093208142005346,0.30965149749845794,0.2832182509766294
EOS-4-02300,Cc1nnccc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1,OCYFRAUYJPISKJ-UHFFFAOYSA-N,4,1,0.543,43,178,446.873,4.928,5,0.381,0.69,1.0,0.9088222191762045,0.9182972380234391,0.8814851620862175,0.8814251936125008,0.8975074532245905
EOS-4-02301,N#Cc1cc(NCc2cncc3nnc(-c4ccc(C(N)=O)c(F)c4F)n23)ccc1F,GKKHNXXBGFGCCT-UHFFFAOYSA-N,4,1,0.384,23,678,423.358,2.791,4,0.509,0.74,1.0,0.3149972585840587,0.45166541018436024,0.8907288739634021,0.8483568638201631,0.6264371016379959
EOS-4-02302,FCCOc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nc1,AIZOSGDIMLBHEW-UHFFFAOYSA-N,4,1,0.5,65,904,476.447,3.147,5,0.317,0.66,1.0,0.8671783976423822,0.8466434788568296,0.4217154410252896,0.3569066547871976,0.6231109930779247
EOS-4-02303,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(F)c(F)c5)nn4)n23)cc1F,UAGDCSVSXRESNF-UHFFFAOYSA-N,4,1,0.421,45,730,463.379,3.557,5,0.423,0.77,1.0,0.689705983140292,0.6518144746761703,0.8213367829483929,0.7975121650332396,0.7400923514495237
EOS-4-02304,Fc1cc(-c2ccc(Cl)nn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,RPLSRVWDTOQAGI-UHFFFAOYSA-N,4,1,0.595,72,386,447.861,4.057,5,0.387,0.76,1.0,0.9482472071825098,0.944966074977726,0.6996179151531766,0.727820231649647,0.8301628572407649
EOS-4-02305,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)ccc1Br,XJPWMBDEWSMRBB-UHFFFAOYSA-N,4,1,0.38,96,274,473.269,4.084,5,0.389,0.67,1.0,0.3510725789870468,0.5236104447947365,0.8268196148310603,0.826802480981427,0.6320762798985676
EOS-4-02306,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1F,CJSBDXSFLCQXKE-UHFFFAOYSA-N,4,1,0.712,59,96,436.397,4.188,5,0.413,0.67,1.0,0.9576965252552944,0.9145534918785553,0.9298968542252073,0.9121033513809883,0.9285625556850113
EOS-4-02307,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnn5)c4)n23)ccc1Cl,SMXVVGJWOYWAIF-UHFFFAOYSA-N,4,1,0.566,43,521,447.861,4.323,5,0.396,0.74,1.0,0.9439980124734425,0.9367846617778083,0.8708793091631828,0.8715646631485162,0.9058066616407375
EOS-4-02308,Fc1ccnc(-c2ncncc2-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c1,GTFOZOSRUIZUTK-UHFFFAOYSA-N,4,1,0.495,75,578,432.394,2.938,5,0.377,0.7,1.0,0.7233054622712631,0.6663439791652388,0.5239531217874032,0.542115002398739,0.613929391405661
EOS-4-02309,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nc1,MXXQRFISFXGTRO-UHFFFAOYSA-N,4,1,0.533,65,263,432.394,2.938,5,0.403,0.71,1.0,0.8650023987389487,0.8815536974847509,0.492598176958399,0.47984202590638064,0.6797490747721199
EOS-4-02311,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4cc(-c5cccnn5)ncn4)n23)c1,ZJIVQACSPHAZJQ-UHFFFAOYSA-N,4,1,0.511,73,633,436.357,3.035,5,0.387,0.59,0.99,0.6411315194297855,0.7557655404016175,0.7381690768281818,0.7306644506887807,0.7164326468370914
EOS-4-02312,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cc4)n23)cc1F,MBEOIVXQDJGAHT-UHFFFAOYSA-N,4,1,0.34,96,648,445.389,3.418,5,0.44,0.82,1.0,0.5754746076348434,0.5190185730930026,0.6754077856212733,0.5959495579466795,0.5914626310739497
EOS-4-02313,N#Cc1cncc(-c2cnc(-c3cncc4nnc(-c5ccc(C#N)cc5F)n34)nc2)c1,GGNFRJHOPBJSBV-UHFFFAOYSA-N,4,1,0.375,82,736,419.383,3.193,5,0.436,0.8,1.0,0.35826879583304777,0.5144609690905353,0.8306404632992941,0.8447587553971626,0.63703224590501
EOS-4-02314,N#Cc1ncc(CCOc2cncc3nnc(-c4ccnc(-c5cnccc5F)c4)n23)cn1,YXQCCNIICZLPFI-UHFFFAOYSA-N,4,1,0.528,75,454,439.414,2.671,5,0.392,0.68,1.0,0.8352237680762113,0.8216794599410595,0.46871359056952916,0.43933760537317523,0.6412386059899938
EOS-4-02315,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc5cccc(OC(F)F)c5n4)n23)c(F)c1F,UQNOHZBVLVQBKJ-UHFFFAOYSA-N,4,1,0.373,96,26,482.397,4.246,5,0.377,0.68,0.999,0.835232335001028,0.862106778150915,0.9181773010760057,0.8842180111027346,0.8749336063326707
EOS-4-02316,Clc1ccc(-c2nnc3cncc(OCCc4cc(Cl)cc(Cl)n4)n23)cc1,BXDWPRIRVDVNCG-UHFFFAOYSA-N,4,1,0.667,23,400,420.687,4.768,4,0.435,0.79,1.0,0.976946405318347,0.9864813926392982,0.859502433006648,0.9361764101158249,0.9397766602700295
EOS-4-02317,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3F)n12,YXMUDBNQCVUNHG-UHFFFAOYSA-N,4,1,0.506,58,262,432.394,2.938,5,0.377,0.7,1.0,0.8961346035227195,0.867829483928449,0.39657151668836954,0.3893495990679186,0.6374713008018642
EOS-4-02319,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1cccnc1,KZYLOFHDVWQXNB-UHFFFAOYSA-N,4,1,0.7,91,955,441.466,4.623,5,0.367,0.75,1.0,0.9419162497429923,0.8733808512096498,0.8421715441025289,0.7742957987800699,0.8579411109588102
EOS-4-02320,Cc1ccc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)cc1Cl,XXSRBOSEXGNZCP-UHFFFAOYSA-N,4,1,0.4,68,364,400.82,4.246,4,0.512,0.65,1.0,0.4119063121102049,0.5056199026797341,0.8624580220683983,0.7743043657048866,0.638572150640806
EOS-4-02321,Fc1cc(-c2cscn2)cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)c1,FWSMHJWMCLWQGH-UHFFFAOYSA-N,4,1,0.529,73,526,441.398,3.701,5,0.384,0.61,1.0,0.6530138441505038,0.6615379343430882,0.6916592419984923,0.689551778493592,0.6739406997464191
EOS-4-02322,Fc1cc(-c2nnc3cncc(CNCc4ccc(C(F)F)cn4)n23)ccc1-c1nccs1,LNYVHUJQUDAUPH-UHFFFAOYSA-N,4,1,0.33,14,416,467.48,4.676,5,0.375,0.73,1.0,0.35108114591186346,0.4115636351175382,0.8340500993763279,0.7953704338290727,0.5980163285587006
EOS-4-02323,Fc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1ncccn1,PADOJNUSJFKTHD-UHFFFAOYSA-N,4,1,0.541,4,31,433.834,4.015,5,0.386,0.74,1.0,0.8377938455212117,0.8707936399150161,0.67541635254609,0.7092899732711946,0.7733234528133781
EOS-4-02324,FC(F)Oc1ncnc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,ICEGBFSRALPUNI-UHFFFAOYSA-N,4,1,0.577,68,255,405.752,2.81,4,0.482,0.74,1.0,0.9339147419642245,0.9460883421287095,0.6208536083887328,0.6345863888698513,0.7838607703378795
EOS-4-02325,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)c(F)c4)n23)c(Cl)c1,PWPFXBZJMZCZOX-UHFFFAOYSA-N,4,1,0.511,37,202,465.851,4.196,5,0.371,0.59,1.0,0.9229148104996231,0.9337262696182578,0.8306490302241107,0.8634946199712151,0.8876961825783016
EOS-4-02326,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]cn5)cc4Cl)n23)ccn1,SULFPVHEFKVMEN-UHFFFAOYSA-N,4,1,0.557,37,626,435.85,3.99,5,0.405,0.68,1.0,0.8907802755123021,0.8708022068398328,0.7758892467959702,0.7929973956548557,0.8326172812007402
EOS-4-02327,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)cc1F,CUNLAMOYIMIXID-UHFFFAOYSA-N,4,1,0.439,0,188,457.387,4.23,5,0.439,0.88,1.0,0.7561339181687341,0.9125316976218216,0.8980621616064698,0.9206360084983894,0.8718409464738538
EOS-4-02328,N#Cc1cc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)ccc1Cl,ITMPXYUGXZXITB-UHFFFAOYSA-N,4,1,0.543,90,708,398.76,3.569,4,0.522,0.7,1.0,0.8992872318552533,0.9618943184154616,0.9511856623946269,0.9579963676238777,0.9425908950723049
EOS-4-02329,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nncs5)cc4Cl)n23)cc1F,WHWCTXMUAXLGPT-UHFFFAOYSA-N,4,1,0.701,88,781,470.892,4.863,5,0.352,0.77,1.0,0.9610461928586115,0.9740250839558632,0.8750514015489,0.895295044890686,0.9263544308135152
EOS-4-02330,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,DCIBGTFZSKFCPR-UHFFFAOYSA-N,4,1,0.581,72,386,447.861,4.057,5,0.362,0.75,1.0,0.9457456651360427,0.9525306695908436,0.7482095127133165,0.7718799259817696,0.8545914433554931
EOS-4-02331,Fc1cncc(COc2cncc3nnc(-c4cnnc(-c5ncc(Cl)cn5)c4)n23)c1F,SRFWLCNDPANJDN-UHFFFAOYSA-N,4,1,0.433,73,564,453.8,2.944,5,0.396,0.55,1.0,0.7621136316907683,0.772745185388253,0.5709084367075594,0.6229268041943664,0.6821735144952367
EOS-4-02332,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)ccc1F,SWLWYJPCWJQGSL-UHFFFAOYSA-N,4,1,0.517,24,702,442.389,3.372,5,0.381,0.68,1.0,0.7502741415941334,0.8254746076348434,0.6504351997806868,0.6142913439791653,0.7101188232472072
EOS-4-02334,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(-c5ncco5)c(Cl)c4)n23)nn1,HYHNCXGWWBREGR-UHFFFAOYSA-N,4,1,0.354,85,476,454.828,3.987,5,0.392,0.59,1.0,0.34680625042834623,0.4561202110890275,0.5476920704543897,0.4920070591460489,0.4606563977794531
EOS-4-02335,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2F)n[nH]1,ADMPGISSHDGYNG-UHFFFAOYSA-N,4,1,0.675,59,96,437.385,3.881,5,0.449,0.76,1.0,0.957705092180111,0.8993986018778699,0.862466588993215,0.8447673223219793,0.8910844013432938
EOS-4-02336,Cc1nc(-c2ccc(-c3nnc4cncc(CNCc5cc(F)cc(F)c5F)n34)cc2)cs1,BAPYPPYDXAZDON-UHFFFAOYSA-N,4,1,0.353,14,291,466.492,4.93,5,0.36,0.78,1.0,0.3881502295935851,0.4206103077239394,0.8774415735727503,0.855141868274964,0.6353359947913098
EOS-4-02337,CCc1cncc2nnc(-c3ccc(-c4ccc(-c5cnc(F)cn5)cn4)c(Cl)c3)n12,WOPANLIRMBSFNT-UHFFFAOYSA-N,4,1,0.393,14,274,431.862,4.665,5,0.411,0.74,1.0,0.36967993968884927,0.46493557672537866,0.714772805153862,0.7492118429168666,0.5746500411212392
EOS-4-02338,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)cc1F,HTZCAGBCTQGGHE-UHFFFAOYSA-N,4,1,0.549,59,293,436.397,4.188,5,0.413,0.7,1.0,0.9073572750325544,0.8621153450757316,0.9221009526420396,0.9086080460557878,0.9000454047015283
EOS-4-02339,FC(F)Oc1cc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncn1,ARUJZKUDFSJURC-UHFFFAOYSA-N,4,1,0.348,68,455,420.33,3.127,4,0.455,0.7,0.996,0.3468148173531629,0.30045062024535674,0.8452385031868961,0.7035072990199438,0.5490028099513399
EOS-4-02340,Fc1ccccc1Cc1ncc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)nn1,RIIXCXUZKCHCQS-UHFFFAOYSA-N,4,1,0.375,85,81,432.85,3.345,5,0.393,0.68,1.0,0.37894078541566717,0.5325885820026044,0.4105870056884381,0.5711311767527928,0.4733118874648756
EOS-4-02341,Fc1ncncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,FLIUFFYCDQMZEX-UHFFFAOYSA-N,4,1,0.523,4,675,434.822,3.41,5,0.387,0.71,1.0,0.9280463984648071,0.9584075800150778,0.6385614419847851,0.6691367966554725,0.7985380542800357
EOS-4-02342,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)ccc1F,ADRRQQUYNICKCI-UHFFFAOYSA-N,4,1,0.506,73,420,443.377,2.767,5,0.403,0.65,1.0,0.7443029949969159,0.7102237680762113,0.5340877938455212,0.49515112055376603,0.6209414193681037
EOS-4-02343,O=C(c1ccc(-c2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1F)N1CCCCC1,OATNDZIUCHEAHK-UHFFFAOYSA-N,4,1,0.416,0,21,437.425,4.502,5,0.473,0.86,1.0,0.26440956754163525,0.4066719210472209,0.12982317867178397,0.5083013501473511,0.3273015043519978
EOS-4-02344,OCc1cc(-c2nnc3cncc(OCc4ncc(Br)cn4)n23)ccc1Cl,JPDAQPCNICDWER-UHFFFAOYSA-N,4,1,0.538,90,555,447.68,3.069,4,0.502,0.75,1.0,0.8328421629771777,0.8763364402714002,0.5998132410389967,0.6317164690562675,0.7351770783359606
EOS-4-02345,Fc1cnccc1-c1cncc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,HZRWWRDCJCQXME-UHFFFAOYSA-N,4,1,0.44,2,196,434.822,3.41,5,0.414,0.61,1.0,0.6925502021794256,0.7239993831814132,0.5804005894044274,0.6285467068741005,0.6563742204098417
EOS-4-02346,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)nc1,IVYYNDIJDOXWCE-UHFFFAOYSA-N,4,1,0.533,65,263,432.394,2.938,5,0.377,0.71,1.0,0.9161469398944555,0.8923651566033857,0.4365019532588582,0.4270526351860736,0.6680166712356933
EOS-4-02348,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cc2F)n1,WDRAAIPTSHJKLT-UHFFFAOYSA-N,4,1,0.524,34,332,452.852,4.702,5,0.386,0.71,1.0,0.8446045507504626,0.8678380508532657,0.929905421150024,0.9319272154067576,0.8935688095401275
EOS-4-02349,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5cc(F)ncn5)cn4)n23)ccc1Br,BQMUTVJKVVDQOP-UHFFFAOYSA-N,4,1,0.361,96,216,473.269,4.084,5,0.364,0.7,0.999,0.3468233842779796,0.532597148927421,0.8452470701117127,0.8447758892467959,0.6423608731409773
EOS-4-02350,CCc1nc(-c2nnc3cncc(OCc4cc(F)c(F)c(F)c4)n23)ccc1-c1ccccn1,RJSRKARLANQPJA-UHFFFAOYSA-N,4,1,0.466,59,445,462.435,4.807,5,0.337,0.76,0.978,0.7849016517031047,0.7557741073264341,0.8373140977314784,0.8081608525803577,0.7965376773353438
EOS-4-02351,COc1cc(-c2nnc3cncc(OC4CCC(F)(F)CC4)n23)ccc1-c1ccsc1,ZXWRZYXCTRDGLI-UHFFFAOYSA-N,4,1,0.474,5,548,442.491,5.485,5,0.409,0.59,1.0,0.7649749845795353,0.7006887807552601,0.6323161537934343,0.7306730176135974,0.7071632341854568
EOS-4-02352,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ncco1,CROYBZAHMVLNGD-UHFFFAOYSA-N,4,1,0.583,11,595,420.379,3.741,5,0.387,0.6,1.0,0.9371273387704749,0.7978719758755397,0.717377150298129,0.6840261119868412,0.7841006442327463
EOS-4-02353,Fc1cc(-c2nnc3cncc(CNCc4ncc(Cl)cc4F)n23)ccc1-c1cscn1,ZOAIJFCKBVFQJH-UHFFFAOYSA-N,4,1,0.333,14,291,469.908,4.531,5,0.393,0.72,1.0,0.3718816393667329,0.4115722020423549,0.7408248235213488,0.8017527928174902,0.5815078644369818
EOS-4-02354,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)cn4)ncn3)n12,FTEYYOBMBAIJTJ-UHFFFAOYSA-N,4,1,0.457,18,481,448.849,3.452,5,0.389,0.68,1.0,0.6986327187992598,0.7006973476800767,0.5441967651291892,0.5959581248714961,0.6348712391200055
EOS-4-02355,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)cc4)n23)cc1F)N1CCC(F)C1,NNPARBPQTKDKAI-UHFFFAOYSA-N,4,1,0.364,0,21,455.415,4.719,5,0.418,0.79,1.0,0.2968525118223562,0.3541738057706806,0.72531868960318,0.8586200397505311,0.558741261736687
EOS-4-02356,CC(O)(c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)nn1)C1CC1,OVKIFBWZYMHNNJ-UHFFFAOYSA-N,4,1,0.33,78,455,442.405,2.656,5,0.453,0.54,0.999,0.2830511959427044,0.4385751490644918,0.2597919950654513,0.34730313206771296,0.3321803680350901
EOS-4-02357,COc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(OC6CC6)nc5)n34)cn2)c(F)c1,DHZZFWBTLLWMFE-UHFFFAOYSA-N,4,1,0.356,96,204,454.465,4.604,6,0.37,0.74,0.997,0.485016448495648,0.627270235076417,0.644755328627236,0.6432561167843192,0.600074532245905
EOS-4-02358,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cccnn5)c4)n23)c1F,JMQOILXOORQBMS-UHFFFAOYSA-N,4,1,0.512,24,910,417.379,3.501,5,0.432,0.68,1.0,0.790487286683572,0.6758018641628402,0.7931773010760057,0.7766431361798369,0.7590273970255637
EOS-4-02359,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nccnn4)cc3F)n12,JGDDHPDNEHOUKI-UHFFFAOYSA-N,4,1,0.56,35,161,432.394,2.938,5,0.403,0.62,1.0,0.9161555068192722,0.9125402645466384,0.6117555342334315,0.6048163251319306,0.7613169076828181
EOS-4-02360,COc1ccc(-c2nnc3cncc(Oc4c(F)cccc4F)n23)cc1-c1cocn1,ABWWGLQWYIAHNH-UHFFFAOYSA-N,4,1,0.512,13,209,421.363,4.525,5,0.412,0.71,1.0,0.8852717428551847,0.7240079501062299,0.8838496333356178,0.8128298266054417,0.8264897882256186
EOS-4-02361,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccc(OC(F)F)cn5)cn4)n23)cc1F,ROOLKVSVXCOWEY-UHFFFAOYSA-N,4,1,0.381,74,736,478.394,3.15,5,0.393,0.74,1.0,0.7015540401617435,0.8062504283462408,0.7482180796381331,0.6809591529024741,0.734245425262148
EOS-4-02362,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cccnc1F,DQEGJHSLEYUJBD-UHFFFAOYSA-N,4,1,0.516,35,982,460.444,4.157,5,0.337,0.72,1.0,0.9419248166678089,0.8733894181344665,0.8437307244191625,0.7594664519224179,0.854627852785964
EOS-4-02364,Cc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ccc1-c1cccnc1,BSJRFIHJWBRAFO-UHFFFAOYSA-N,4,1,0.465,97,16,430.418,4.414,5,0.411,0.74,1.0,0.7170002056061956,0.6370622301418682,0.8340586663011446,0.8149972585840587,0.7507795901583167
EOS-4-02365,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cc4F)n23)ccc1Cl,KATDRUYNPOHWOX-UHFFFAOYSA-N,4,1,0.368,0,21,464.863,4.306,5,0.451,0.77,0.97,0.33008361318621066,0.39233945582893565,0.6117641011582482,0.8268110479062436,0.5402495545199095
EOS-4-02366,Fc1ccc(-c2ccncc2)cc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,QREDPJNLTNMQJR-UHFFFAOYSA-N,4,1,0.529,35,490,447.861,4.057,5,0.362,0.71,1.0,0.8228359947913098,0.8763450071962169,0.6697707490919059,0.7035158659447605,0.7681169042560483
EOS-4-02367,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)ccn2)nn1,WGSCGSGFCZKXTE-UHFFFAOYSA-N,4,1,0.453,13,724,452.812,4.071,5,0.402,0.61,1.0,0.7473528202316496,0.7469930093893496,0.7021451579740936,0.7173086148995956,0.7284499006236721
EOS-4-02368,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)cnn1,CTVXDFILFJGAFW-UHFFFAOYSA-N,4,1,0.585,43,96,430.418,4.414,5,0.411,0.71,1.0,0.9188969227606059,0.8763535741210335,0.8931875813857858,0.8785638407237338,0.8917504797477898
EOS-4-02369,Fc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)n1,IITFPIRLHJTTPR-UHFFFAOYSA-N,4,1,0.529,24,199,418.367,2.896,5,0.402,0.61,1.0,0.6957456651360427,0.5946559522993626,0.44024569940374203,0.42073024467137277,0.53784439037763
EOS-4-02370,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,GTUDZUIDVMJSDR-UHFFFAOYSA-N,4,1,0.766,23,721,427.386,3.19,4,0.511,0.78,1.0,0.8558614899595641,0.5608165992735248,0.8788122815434172,0.8228616955657597,0.7795880165855665
EOS-4-02371,Fc1ccc(-c2ncnnc2-c2nnc3cncc(Cl)n23)cc1OCC(F)F,MMGMDBFBRFNKJI-UHFFFAOYSA-N,4,1,0.407,68,861,407.743,3.08,4,0.502,0.73,0.941,0.4777516962511137,0.5652028647796586,0.8140548968542252,0.8483654307449798,0.6763437221574944
EOS-4-02372,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5nccnc5F)c4)n23)ccc1F,RWSHLVQCEZIXGH-UHFFFAOYSA-N,4,1,0.495,75,486,443.377,2.767,5,0.403,0.69,0.995,0.6591220615447879,0.7192961414570626,0.5510760057569735,0.5083099170721678,0.6094510314577479
EOS-4-02373,Fc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ccnnc1Cl,KIOBAFJQPCXXHM-UHFFFAOYSA-N,4,1,0.488,73,196,469.267,4.063,5,0.38,0.61,1.0,0.9008549790967034,0.9238057706805565,0.7096926187375779,0.7883626893290384,0.8306790144609691
EOS-4-02374,Fc1cc(-c2nnc3cncc(OCc4cnnc(Cl)c4)n23)ccc1-c1ncccn1,AJUKLSUIMGBMRI-UHFFFAOYSA-N,4,1,0.506,16,325,434.822,3.41,5,0.414,0.67,1.0,0.9280549653896237,0.884260845726818,0.6027773970255637,0.6257453224590501,0.7602096326502639
EOS-4-02375,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(-c5cc(Cl)ccn5)ncn4)n23)n1,OJAKISPNFCRWKX-UHFFFAOYSA-N,4,1,0.381,46,726,453.8,2.944,5,0.37,0.55,0.936,0.5929939688849291,0.5798351723665273,0.45474950311836065,0.515317661572202,0.5357240764855048
EOS-4-02376,OCc1ccc(-c2nnc3cncc(OCc4ncc(C(F)F)cc4F)n23)cn1,ATWSALCWGWYZOB-UHFFFAOYSA-N,4,1,0.517,68,127,402.336,2.729,4,0.529,0.73,1.0,0.7170087725310123,0.8138407237338086,0.880131587965184,0.8128383935302583,0.8059548694400658
EOS-4-02377,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc4ccccc34)n12,NGRIUKSHUUWIQZ-UHFFFAOYSA-N,4,1,0.455,28,891,463.476,4.557,6,0.335,0.78,1.0,0.8890583236241518,0.8763621410458502,0.5606966623260914,0.5808203687204441,0.7267343739291344
EOS-4-02378,Fc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1nn[nH]n1,BTMOUPYYFOUWQA-UHFFFAOYSA-N,4,1,0.536,34,6,424.346,2.968,5,0.462,0.76,1.0,0.929468507984374,0.8842694126516346,0.8468576519772463,0.8535055856349805,0.8785252895620588
EOS-4-02379,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(C(F)(F)F)c(Cl)c4)n23)cc1F,LHYOWTYHKLBVRA-UHFFFAOYSA-N,4,1,0.341,66,188,476.821,4.557,5,0.437,0.82,1.0,0.36497669796449866,0.5326057158522377,0.9133112877801385,0.912111918305805,0.68075140497567
EOS-4-02380,Cc1ccc(-c2cnnc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)c2)nn1,RKLVZSKQDLYJFO-UHFFFAOYSA-N,4,1,0.363,54,251,452.812,4.071,5,0.402,0.54,0.998,0.6183349324926325,0.6518230416009869,0.7147813720786786,0.7387173600164485,0.6809141765471867
EOS-4-02381,COc1cc(-c2nnc3cncc(CNCc4cc(F)cc(F)c4F)n23)ccc1-c1cocn1,BCGMEZIWYXAHEG-UHFFFAOYSA-N,4,1,0.361,14,291,466.423,4.162,5,0.36,0.71,1.0,0.6470426975532863,0.6137002261668152,0.9014203961346036,0.8465835103831129,0.7521867075594545
EOS-4-02382,N#Cc1ccc(-c2nnc3cncc(-c4nc5c(F)ccc(C#N)c(F)c5n4)n23)cc1,SEJPLLJPTXDCIS-UHFFFAOYSA-N,4,1,0.479,22,316,410.347,3.375,5,0.438,0.6,0.796,0.4075286135288877,0.5608251661983414,0.8389675142210952,0.8757453224590501,0.6707666541018436
EOS-4-02383,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCc3cccc(F)c3F)n12,FTSKDEQEBHRQOQ-UHFFFAOYSA-N,4,1,0.512,34,6,424.346,2.968,5,0.462,0.72,1.0,0.8852803097800014,0.8648995956411486,0.8485539030909465,0.8519378383935302,0.8626679117264067
EOS-4-02384,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)n2)nc1,JBJVLZJNNWCQQI-UHFFFAOYSA-N,4,1,0.554,65,262,432.394,2.938,5,0.377,0.7,1.0,0.8446131176752792,0.8497961071893633,0.4179973956548557,0.4142279487355219,0.631658642313755
EOS-4-02386,Clc1ccc(COc2cccc(-c3nnc4cncc(OCc5cnnc(Cl)c5)n34)c2)cc1,YIBXLEIRABZGCF-UHFFFAOYSA-N,4,1,0.6,43,709,479.327,5.046,5,0.323,0.81,1.0,0.830254951682544,0.8530172709204304,0.8736464258789665,0.8842265780275512,0.8602863066273729
EOS-4-02387,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4OC)n23)ccc1-c1ccccc1,PWWBGAQIXXBARV-UHFFFAOYSA-N,4,1,0.489,1,955,457.465,4.589,5,0.353,0.71,1.0,0.9041532451511205,0.7557826742512508,0.7529384552121171,0.6048248920567473,0.7544248166678089
EOS-4-02388,COc1cc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)ccc1-c1cnco1,APIKJNGJBOWNNW-UHFFFAOYSA-N,4,1,0.649,13,209,454.273,5.554,5,0.344,0.71,1.0,0.8737577959015832,0.7598433966143513,0.9181858680008225,0.9040847097525873,0.8639679425673361
EOS-4-02389,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,WWSTVKAPOKYFEB-UHFFFAOYSA-N,4,1,0.551,23,627,392.287,4.066,4,0.388,0.73,1.0,0.9669402371324789,0.9525392365156603,0.9936861764101158,0.9959564114865328,0.977280515386197
EOS-4-02390,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ncc(Cl)cc4C(F)(F)F)n23)cc1F,JUQYRMSXEXTRBW-UHFFFAOYSA-N,4,1,0.302,66,188,476.821,4.557,5,0.437,0.84,1.0,0.30188986361455694,0.4649441436501953,0.9230861489959564,0.9334778287985744,0.6558494962648208
EOS-4-02391,Fc1ccnc(F)c1COc1cncc2nnc(-c3cncc(-c4ccsc4)c3)n12,ZVFZTLDLMISJCZ-UHFFFAOYSA-N,4,1,0.47,2,419,422.42,4.167,5,0.396,0.69,1.0,0.7323264341032143,0.6087656774724145,0.8079552463847577,0.7996795970118566,0.7371817387430608
EOS-4-02392,Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cncc(F)c1C,ITGOEWWRZUKVNP-UHFFFAOYSA-N,4,1,0.553,35,161,458.472,4.765,5,0.365,0.64,1.0,0.8582002604345145,0.8361489959564115,0.8681807278459325,0.8128469604550751,0.8438442361729833
EOS-4-02393,Fc1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1cc[nH]n1,SYFCWQUGJZWMAE-UHFFFAOYSA-N,4,1,0.474,88,490,437.385,3.615,5,0.436,0.6,1.0,0.9189054896854225,0.8763707079706669,0.8176530052772257,0.8268196148310603,0.8599372044410938
EOS-4-02394,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3Cl)n12,DIIBZXODNALBRI-UHFFFAOYSA-N,4,1,0.495,58,262,483.294,4.106,5,0.333,0.64,1.0,0.8833955863203344,0.9238143376053731,0.5774278664930437,0.6547614968131039,0.7598498218079639
EOS-4-02395,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cocn1,JVUDHFBNRBJZHV-UHFFFAOYSA-N,4,1,0.583,11,595,420.379,3.741,5,0.387,0.69,1.0,0.9339233088890412,0.7978805428003564,0.7594407511479679,0.7334487012541978,0.8061733260228908
EOS-4-02396,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(-c5ncccn5)nc4)n23)ccc1Cl,XLROWCISGZIRTR-UHFFFAOYSA-N,4,1,0.583,35,770,454.881,3.79,5,0.38,0.71,1.0,0.9730227537523131,0.9740336508806798,0.6385700089096018,0.6375505448564184,0.8057942395997532
EOS-4-02397,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nc4F)n23)cc1)N1CCCCC1,ICQYHHXAPPVRSR-UHFFFAOYSA-N,4,1,0.433,0,345,484.457,4.561,5,0.314,0.82,1.0,0.2746641765471866,0.3447930230964293,0.22380234391062984,0.40147179768350355,0.3111828353094373
EOS-4-02398,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)ccn1,CMDDJLZTFXCTJW-UHFFFAOYSA-N,4,1,0.523,58,262,432.394,2.938,5,0.377,0.73,1.0,0.9057209923925708,0.8708107737646494,0.4402542663285587,0.4237029675827565,0.6601222500171339
EOS-4-02400,Fc1cc(-c2ccccn2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)n1,NKFRQRLLQJQDPA-UHFFFAOYSA-N,4,1,0.462,18,692,431.406,3.543,5,0.38,0.64,1.0,0.7138732780481118,0.579843739291344,0.6504437667055034,0.6491587279830032,0.6483298780069906
EOS-4-02401,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)cc2Cl)ccn1,TWQKXZZNUDECIG-UHFFFAOYSA-N,4,1,0.523,35,846,447.861,4.057,5,0.362,0.67,1.0,0.8907888424371188,0.9201733945582894,0.7279744362963471,0.7594750188472346,0.8246029230347475
EOS-4-02402,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(F)cn5)ncn4)n23)ccc1Cl,OLLGVTWVRYZHJZ-UHFFFAOYSA-N,4,1,0.478,73,82,459.832,3.281,5,0.388,0.61,1.0,0.8693972311698992,0.9367932287026249,0.6418425741895689,0.6691453635802892,0.7792945994105955
EOS-4-02403,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)nc1,JRPQRJHWNAJWKN-UHFFFAOYSA-N,4,1,0.535,11,795,431.406,3.543,5,0.406,0.72,1.0,0.9339318758138578,0.8708193406894661,0.5477006373792064,0.5774021657185937,0.732463504900281
EOS-4-02404,Fc1c(Cl)cccc1COc1cncc2nnc(-c3csc(-c4ncncn4)c3)n12,CMIWSDFABBQCBF-UHFFFAOYSA-N,4,1,0.477,55,910,439.863,4.076,5,0.407,0.57,0.999,0.7138818449729285,0.6565434171749709,0.6807792474813241,0.7120827907614283,0.690821825097663
EOS-4-02405,N#Cc1ncc(COc2cncc3nnc(-c4ccnc(-c5cnnc(F)c5)c4)n23)cc1F,AULLFZHDCFKTBQ-UHFFFAOYSA-N,4,1,0.468,55,939,443.377,2.767,5,0.403,0.56,1.0,0.7791361113014872,0.685782331574258,0.7173857172229456,0.6605270372147214,0.710707799328353
EOS-4-02406,COc1cc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1ccsc1,NGZDKFIHIMGWAV-UHFFFAOYSA-N,4,1,0.53,13,209,469.353,6.628,5,0.289,0.69,1.0,0.8302635186073607,0.8099513398670414,0.9440151463230758,0.945351586594476,0.8823953978479885
EOS-4-02407,Fc1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1ccnnc1,WRMCQBUIOLXFHY-UHFFFAOYSA-N,4,1,0.523,37,202,465.851,4.196,5,0.371,0.69,1.0,0.9242512507710232,0.9337348365430745,0.8468662189020629,0.8715732300733329,0.8941063840723734
EOS-4-02408,O=C(c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)cc1)c1cccc(F)c1,QDOFBKCJJVJPBG-UHFFFAOYSA-N,4,1,0.551,91,660,474.883,4.226,5,0.257,0.75,1.0,0.9734768007675965,0.9424131313823589,0.6807878144061408,0.6809677198272908,0.8194113665958467
EOS-4-02409,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)nn1,HQQWXDHUPRNYTA-UHFFFAOYSA-N,4,1,0.608,43,293,447.405,3.509,5,0.39,0.71,1.0,0.9419333835926256,0.8895123706394352,0.677994996915907,0.634594955794668,0.7860089267356589
EOS-4-02410,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C(F)(F)F)cn4)n23)cc1F,RWTVQTNTLNQNNC-UHFFFAOYSA-N,4,1,0.379,68,861,417.326,2.766,4,0.515,0.81,1.0,0.27236824069631965,0.40208004934548697,0.9124545952984716,0.7883712562538551,0.5938185353985334
EOS-4-02411,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(C(F)(F)F)n4)n23)ccc1-c1nncn1C,SJUFAHINTANVPV-UHFFFAOYSA-N,4,1,0.484,36,51,484.417,4.027,5,0.348,0.74,1.0,0.5985710369405798,0.7148156397779453,0.8681892947707491,0.7147642382290453,0.7240850524295799
EOS-4-02412,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncc(Cl)nn5)cc4F)n23)cc1F,PECCYDKIDJRJPP-UHFFFAOYSA-N,4,1,0.333,96,648,480.822,3.466,5,0.404,0.67,1.0,0.6530224110753204,0.6087742443972312,0.6562007401823041,0.6491672949078199,0.6417911726406689
EOS-4-02413,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1nccnn1,PXNVTUYKYFBKJU-UHFFFAOYSA-N,4,1,0.57,37,325,432.394,2.938,5,0.377,0.61,1.0,0.9457542320608594,0.9292457679391406,0.560705229250908,0.5549910903981906,0.7476740799122746
EOS-4-02414,Cc1ncncc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4F)n23)ccc1F,ZAMZAIIYEJQZNJ-UHFFFAOYSA-N,4,1,0.522,34,10,465.851,4.462,5,0.378,0.72,1.0,0.8148259200877254,0.9368017956274416,0.7890908779384552,0.8040401617435405,0.8361896888492907
EOS-4-02415,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)ccn1,WUJMVPSYARHEGI-UHFFFAOYSA-N,4,1,0.533,35,578,431.406,3.543,5,0.38,0.74,1.0,0.885288876704818,0.8994071688026866,0.7434291686656158,0.7092985401960112,0.8093559385922828
EOS-4-02416,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)c(Cl)c1,GFQJGENYNTUXNK-UHFFFAOYSA-N,4,1,0.368,96,274,417.835,4.411,5,0.432,0.71,1.0,0.33009218011102737,0.5097063258172846,0.7736190117195532,0.8081694195051744,0.6053967342882599
EOS-4-02418,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3F)n12,VXBXCPJBCFTBCU-UHFFFAOYSA-N,4,1,0.506,18,262,432.394,2.938,5,0.377,0.7,1.0,0.869405798094716,0.8530258378452471,0.45102289082311015,0.4393461722979919,0.6532001747652663
EOS-4-02420,CCn1cnnc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1F,FFECHZIJKMIKAV-UHFFFAOYSA-N,4,1,0.477,13,252,437.385,4.279,5,0.408,0.67,1.0,0.6128949352340484,0.7855099033650881,0.7870947844561716,0.8081779864299911,0.7484194023713249
EOS-4-02421,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1-c1cocn1,QQCPMBGBLSXSOA-UHFFFAOYSA-N,4,1,0.578,11,595,420.379,3.741,5,0.387,0.69,1.0,0.9401257624563086,0.809959906791858,0.7618737577959016,0.7413988074840655,0.8133395586320334
EOS-4-02422,O=C(c1ccc(-c2cncc3nnc(-c4ccccc4Cl)n23)c(Cl)c1F)N1CCC(F)C1,UKHRPZLHLVTTOE-UHFFFAOYSA-N,4,1,0.402,0,999,474.298,5.088,5,0.415,0.7,1.0,0.237595092865465,0.3397128366801453,0.5607137961757248,0.8620039750531149,0.5000064251936125
EOS-4-02423,N#Cc1ccc(-c2nnc3cncc(-c4cccc(C(=O)c5nc(Cl)ccc5F)n4)n23)cn1,SFBPCNOAMZRPSE-UHFFFAOYSA-N,4,1,0.356,96,140,456.828,3.538,5,0.297,0.67,0.995,0.334898224933178,0.5236190117195532,0.5510845726817901,0.6111472825714481,0.5051872729764924
EOS-4-02424,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)ncc1Cl,OTCHCZFSGRHFQL-UHFFFAOYSA-N,4,1,0.5,58,28,465.851,4.196,5,0.347,0.64,1.0,0.8992957987800699,0.9165924199849222,0.7021537248989103,0.7362757864436982,0.8135794325269001
EOS-4-02425,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cc2F)cn1,MIHSFVAWTDCZMV-UHFFFAOYSA-N,4,1,0.571,35,4,445.433,3.851,5,0.392,0.58,1.0,0.9229233774244398,0.920181961483106,0.7690357069426359,0.7225772736618463,0.833679579878007
EOS-4-02426,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3Cl)n12,KQALWSQTDYEJMF-UHFFFAOYSA-N,4,1,0.506,18,262,448.849,3.452,5,0.364,0.6,1.0,0.8871307655404016,0.9039476389555205,0.4438181070522925,0.4860273456240148,0.6802309642930574
EOS-4-02427,Fc1cnnc(-c2ccnc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c2)c1,VHJRGLQVUYXCIN-UHFFFAOYSA-N,4,1,0.375,46,915,452.812,3.549,5,0.373,0.44,1.0,0.6654615859091221,0.632170516071551,0.7642896305942019,0.7883798231786718,0.7125753889383867
EOS-4-02429,Fc1cc(F)cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cnsc5)c4)n23)c1,BADUAFPEHBLTEZ-UHFFFAOYSA-N,4,1,0.55,59,16,456.865,4.82,5,0.353,0.63,1.0,0.6986412857240765,0.7640840243986019,0.8920653142348023,0.9097560139812213,0.8161366595846755
EOS-4-02430,N#Cc1cc(-c2cscn2)cc(-c2nnc3cncc(OCc4ccccc4Cl)n23)c1,INGGFTBDMCNBKZ-UHFFFAOYSA-N,4,1,0.529,1,709,444.907,5.019,5,0.378,0.71,1.0,0.8378024124460284,0.8176872729764924,0.8874477417586183,0.9005808375025701,0.8608795661709273
EOS-4-02431,Fc1cccc(-c2ocnc2-c2nnc3cncc(-c4cc5cc(F)ccc5cn4)n23)c1,WFVFPDLVGSJOFT-UHFFFAOYSA-N,4,1,0.333,32,20,426.386,4.94,6,0.399,0.59,0.998,0.3248063874991433,0.43858371598930845,0.8176615722020424,0.8884243711877184,0.6173690117195532
EOS-4-02432,CC(C)NCCc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cc1,OTUUHIDFUFISCH-UHFFFAOYSA-N,4,1,0.548,48,378,446.942,4.436,4,0.43,0.79,1.0,0.8071413885271743,0.7193047083818792,0.872267150983483,0.7883883901034885,0.7967754094990063
EOS-4-02433,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncc(F)cc1F,ZOJWBRAGQWCWLW-UHFFFAOYSA-N,4,1,0.528,35,777,460.444,4.157,5,0.36,0.65,1.0,0.9381982043725584,0.8216880268658763,0.7806353231444041,0.6954115550681927,0.8089832773627579
EOS-4-02434,Cc1nnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)c(F)c2)s1,REZKISQBCZATKJ-UHFFFAOYSA-N,4,1,0.465,13,145,440.41,4.828,5,0.398,0.69,1.0,0.6559180316633542,0.8099684737166747,0.8160681241861422,0.8268281817558769,0.777195702830512
EOS-4-02435,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)cc1Cl,SKKBGCDHPYCDJD-UHFFFAOYSA-N,4,1,0.646,23,721,460.296,4.218,4,0.466,0.85,1.0,0.892485093550819,0.7426667123569324,0.8681978616955658,0.8731666780892331,0.8441290864231376
EOS-4-02437,OC(Cn1cncn1)(c1ccc(F)cc1F)c1cncc2nnc(-c3ccc(C(F)F)cn3)n12,FFEKGCCDOLLOCI-UHFFFAOYSA-N,4,1,0.333,85,315,470.39,2.93,5,0.38,0.54,0.752,0.3097628675210746,0.4206188746487561,0.9621256253855116,0.939628880816942,0.658034062093071
EOS-4-02438,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(CF)c4)n23)ccc1F,ZUVFEYROVWDXNV-UHFFFAOYSA-N,4,1,0.566,59,293,450.424,4.519,5,0.381,0.6,1.0,0.8605647316839148,0.8062589952710575,0.9124631622232884,0.8814337605373175,0.8651801624288945
EOS-4-02439,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccc(F)cn1,LODYPZSFJFTLLL-UHFFFAOYSA-N,4,1,0.533,35,982,460.444,4.157,5,0.36,0.69,1.0,0.9350198752655746,0.8498046741141799,0.82499485984511,0.7438318141319992,0.838412805839216
EOS-4-02441,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nn5)cn4)n23)ccc1Cl,UYLRPUPIGXQGEK-UHFFFAOYSA-N,4,1,0.358,96,216,428.818,3.974,5,0.428,0.7,0.967,0.35108971283668017,0.6227468987732163,0.857951819614831,0.8858114591186348,0.6793999725858406
EOS-4-02442,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(Cc3cnc(F)c(Cl)c3)n12,HBUHKXRCPLRWSN-UHFFFAOYSA-N,4,1,0.346,14,487,441.854,4.227,5,0.388,0.66,0.993,0.26174525392365156,0.3877218833527517,0.8194263587142759,0.870176821328216,0.5847675793297238
EOS-4-02443,CCn1cnnc1-c1cc(-c2nnc3cncc(Oc4cc(F)ccc4F)n23)ccc1F,LWZLMBTWWVSQTD-UHFFFAOYSA-N,4,1,0.483,34,252,437.385,4.279,5,0.408,0.7,1.0,0.6352460420807347,0.8216965937906929,0.7890994448632719,0.8128555273798918,0.7647244020286478
EOS-4-02444,Fc1cc(F)c(F)c(CNCc2cncc3nnc(-c4ccc(-c5nncs5)c(F)c4)n23)c1,QWMOBSLJQCVCCQ-UHFFFAOYSA-N,4,1,0.352,45,291,471.443,4.156,5,0.296,0.68,1.0,0.3903519292714687,0.4915101775066822,0.8980707285312864,0.9040932766774039,0.6710065279967103
EOS-4-02445,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)ncn2)ccn1,CHTRASLXTWVIPZ-UHFFFAOYSA-N,4,1,0.442,18,194,448.849,3.452,5,0.364,0.58,1.0,0.6986498526488931,0.6857908984990748,0.6059300253580975,0.637559111781235,0.6569824720718251
EOS-4-02446,COc1ncccc1-c1cc(-c2nnc3cncc(OCc4ccnc(C#N)c4)n23)ccc1F,IEUZLTGJHVSDII-UHFFFAOYSA-N,4,1,0.506,97,253,453.437,3.847,5,0.381,0.74,0.999,0.8961431704475361,0.8868994585703516,0.810139812213008,0.6926530052772257,0.8214588616270303
EOS-4-02447,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)ccnc1Cl,JDJLUUSDPORCMI-UHFFFAOYSA-N,4,1,0.516,65,262,448.849,3.452,5,0.364,0.63,1.0,0.8834041532451511,0.930599342060174,0.49956308683434997,0.5117709546981015,0.7063343842094443
EOS-4-02448,Fc1cnc(Cl)nc1COc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,WKBUQYHZGVBOOI-UHFFFAOYSA-N,4,1,0.483,75,496,434.822,3.41,5,0.387,0.7,1.0,0.6836234665204578,0.6808049482557741,0.5205434857103695,0.5384312247275718,0.6058507813035432
EOS-4-02449,C#Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)cn1,CTISSDJQOUHKAK-UHFFFAOYSA-N,4,1,0.5,73,82,442.389,2.877,5,0.383,0.68,1.0,0.8694143650195326,0.7937427181139058,0.6059385922829141,0.5549996573230074,0.7060238331848399
EOS-4-02450,N#Cc1ccc(-c2cnc(Oc3cncc4nnc(-c5ccc(Cl)nc5)n34)c(F)c2)nn1,GMJDUDYNKJHORD-UHFFFAOYSA-N,4,1,0.37,13,875,445.805,3.495,5,0.381,0.72,1.0,0.7933143718730724,0.8923737235282023,0.6531680487972038,0.6634997601261051,0.7505889760811459
EOS-4-02451,Cn1cncc1-c1ccc(-c2nnc3cncc(CNc4cc(F)cc(F)c4)n23)cc1F,QPCULTYDADAJIK-UHFFFAOYSA-N,4,1,0.354,45,291,435.413,4.221,5,0.448,0.74,1.0,0.317490233705709,0.35418237269549724,0.8990901925844699,0.8858200260434514,0.6141457062572819
EOS-4-02452,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cocn1,YGZWFKLEICBKDD-UHFFFAOYSA-N,4,1,0.511,1,383,435.39,4.312,5,0.393,0.68,1.0,0.967377150298129,0.8138492906586252,0.9047186621890206,0.8368943184154616,0.8807098553903091
EOS-4-02453,O=C(c1ccc(-c2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1F)N1CCCC1,AUAYCLSFYIFUFK-UHFFFAOYSA-N,4,1,0.42,0,21,423.398,4.112,5,0.498,0.85,1.0,0.2941539305051059,0.42062744157357274,0.2204612432321294,0.589901309026112,0.38128598108423
EOS-4-02454,Cc1nccn1Cc1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,LSTZDWLCYLGSNF-UHFFFAOYSA-N,4,1,0.416,96,46,418.863,4.804,5,0.42,0.82,1.0,0.3124957165375917,0.5280738126242204,0.8624751559180317,0.8800459187170173,0.6457726509492152
EOS-4-02455,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4cccnc4-c4cnccn4)n23)cn1,VUVRRDFSJGJDKY-UHFFFAOYSA-N,4,1,0.31,85,976,431.41,3.136,5,0.418,0.57,1.0,0.3097714344458913,0.3106109930779247,0.3965800836131862,0.26730518812966897,0.32106692481666776
EOS-4-02456,Fc1cc(-c2nnc3cncc(CNCc4cnc(Cl)c(F)c4)n23)ccc1-c1cscn1,ZFUKNXTYWPDRBF-UHFFFAOYSA-N,4,1,0.336,14,291,469.908,4.531,5,0.368,0.75,1.0,0.3490336508806799,0.4020886162703036,0.8213453498732095,0.8447844561716127,0.6043130182989515
EOS-4-02457,Fc1cc(-c2nnc(Cl)s2)ccc1-c1nnc2cncc(Cc3ccc(Cl)cn3)n12,SAWFZJZRVPCUBL-UHFFFAOYSA-N,4,1,0.377,14,487,458.309,4.742,5,0.387,0.67,1.0,0.35347988486053045,0.4735967377150298,0.6293948324309506,0.7669967788362689,0.555867058460695
EOS-4-02458,FC(F)c1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5)n34)cn2)nn1,RBQGSFPCJXXTQN-UHFFFAOYSA-N,4,1,0.642,19,56,479.878,4.856,5,0.329,0.67,0.999,0.9350284421903914,0.965261119868412,0.8437392913439792,0.8247978205743266,0.8922066684942772
EOS-4-02459,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cncc(F)c5)nc4Cl)n23)nc1,LHJWTSKLJUNRQE-UHFFFAOYSA-N,4,1,0.471,73,795,466.839,3.591,5,0.35,0.53,1.0,0.8516979644986635,0.8971369337262696,0.4959735453361661,0.5868257830169282,0.7079085566445069
EOS-4-02460,N#Cc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1OC(F)F,SQNPCPXINFURMA-UHFFFAOYSA-N,4,1,0.622,68,658,409.356,2.676,4,0.458,0.75,1.0,0.8605732986087314,0.9064748817764375,0.8101483791378247,0.7278287985744637,0.8262563395243643
EOS-4-02461,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ccncc5)cnn4)n23)c1,CAVVYRYRBHSYRU-UHFFFAOYSA-N,4,1,0.443,59,511,417.379,3.501,5,0.432,0.69,1.0,0.6322818860941677,0.537317524501405,0.8140634637790419,0.8228702624905764,0.7016332842162978
EOS-4-02462,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)nc1,VBWFFOIWRCBEAS-UHFFFAOYSA-N,4,1,0.568,59,665,417.379,3.501,5,0.432,0.76,1.0,0.8961517373723529,0.8138578575834419,0.6697793160167227,0.6780549653896237,0.7644609690905353
EOS-4-02463,C#Cc1ccc(F)c(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1F,CAJHWMVJBUCAKD-UHFFFAOYSA-N,4,1,0.525,90,555,397.772,3.678,4,0.388,0.63,1.0,0.9088307861010212,0.952547803440477,0.9611061613323282,0.9585874854362278,0.9452680590775135
EOS-4-02464,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(F)c5Cl)n4)n23)cn1,NWNVAKSQGQXEJJ-UHFFFAOYSA-N,4,1,0.494,4,390,465.851,4.462,5,0.354,0.63,1.0,0.764983551504352,0.8592025906380646,0.805830649030224,0.7883969570283051,0.8046034370502364
EOS-4-02465,Fc1nccnc1-c1cccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,LXMHLUHLQLWLKF-UHFFFAOYSA-N,4,1,0.444,51,196,434.822,3.41,5,0.414,0.68,1.0,0.7380234391062984,0.7685559591529024,0.4510314577479268,0.4920156260708656,0.6124066205194983
EOS-4-02466,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)nc1,QRHVKFZQEBVJIZ-UHFFFAOYSA-N,4,1,0.633,59,294,447.405,3.509,5,0.39,0.75,1.0,0.9392605030498252,0.9039562058803372,0.7305445137413474,0.6375676787060517,0.8028322253443904
EOS-4-02467,COCc1nnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)s1,HWKUBLURRJBTAS-UHFFFAOYSA-N,4,1,0.56,68,12,438.391,3.109,4,0.414,0.7,1.0,0.6211363169076828,0.7898190665478719,0.510031868960318,0.4982095127133164,0.6047991912822973
EOS-4-02468,Cc1csc(-c2cc(-c3cncc4nnc(-c5ccc(C#N)c(C(F)(F)F)c5)n34)cnn2)n1,YFJTYMWPBWCUCT-UHFFFAOYSA-N,4,1,0.337,61,121,464.436,4.571,5,0.385,0.69,0.56,0.3018984305393736,0.4342402851072579,0.9385837159893085,0.8828473031320677,0.6393924336920019
EOS-4-02469,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3cccc(F)c3)n12,RRJWFLMPNCBUKE-UHFFFAOYSA-N,4,1,0.554,1,709,428.452,4.505,5,0.409,0.73,1.0,0.8494020286477966,0.8530344047700638,0.8389760811459118,0.8248063874991433,0.8415547255157289
EOS-4-02470,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1F)N1CC(F)C1,QCYOHZYJVPXCAC-UHFFFAOYSA-N,4,1,0.36,66,688,442.376,3.724,5,0.451,0.8,0.351,0.3604961962853814,0.4782571448152971,0.6807963813309574,0.7541892262353506,0.5684347371667466
EOS-4-02471,FCCCOc1ccc(-c2ccc(-c3nnc4cncc(Br)n34)cn2)nc1,PSHORZJGXNMOMA-UHFFFAOYSA-N,4,1,0.514,68,861,429.253,3.749,4,0.435,0.79,0.999,0.48502501542046467,0.514469536015352,0.3555530806661641,0.369919813583716,0.43124186142142423
EOS-4-02472,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)c1F,UHAWSUHERRQZFY-UHFFFAOYSA-N,4,1,0.494,11,0,454.824,4.394,5,0.375,0.57,1.0,0.8280875197039271,0.8099770406414913,0.8194349256390926,0.8465920773079295,0.8260228908231102
EOS-4-02474,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ncn5)n34)cc2F)nc1,NTAFAOWLFFRLAR-UHFFFAOYSA-N,4,1,0.5,73,325,466.839,3.591,5,0.35,0.71,1.0,0.9568141319991775,0.9424216983071757,0.6148481940922487,0.6519601123980536,0.7915110341991638
EOS-4-02475,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)c1F,UQDAEVVHWPRQFR-UHFFFAOYSA-N,4,1,0.529,35,143,470.892,4.863,5,0.33,0.67,1.0,0.8228445617161264,0.9084452744842711,0.7953790007538893,0.8150058255088753,0.8354186656157906
EOS-4-02476,CN(C)CC#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1F,ZDMPMFHCDFZGCV-UHFFFAOYSA-N,4,1,0.551,90,636,434.45,2.999,4,0.435,0.67,1.0,0.5702402165718594,0.6184891371393325,0.8404838599136454,0.7063429511342608,0.6838890411897746
EOS-4-02477,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)cc4F)n23)cc1)N1CCCC1,ADWKXISPWGNUGU-UHFFFAOYSA-N,4,1,0.414,0,21,437.425,4.771,5,0.461,0.89,1.0,0.25610821739428413,0.3298865739154273,0.33337331231581113,0.6171098622438489,0.38411949146734287
EOS-4-02478,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4nccnn4)c3)n12,YTUWVPXNOKEQTB-UHFFFAOYSA-N,4,1,0.566,37,161,432.394,2.938,5,0.403,0.62,1.0,0.9401343293811254,0.9183058049482558,0.6088427797957645,0.614299910903982,0.7703957062572819
EOS-4-02481,Fc1ccnc(CCc2cncc3nnc(-c4ccc(-c5cscn5)c(F)c4)n23)c1,CMCSYPPBTRZLEB-UHFFFAOYSA-N,4,1,0.388,14,886,420.448,4.373,5,0.422,0.7,1.0,0.43715303954492496,0.5373260914262217,0.6861421424165581,0.7414073744088822,0.6005071619491468
EOS-4-02482,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(C(F)F)n4)n23)cc1F,LAYQZMULPSAALG-UHFFFAOYSA-N,4,1,0.39,66,678,431.353,3.113,4,0.454,0.79,1.0,0.31749880063052566,0.31061956000274143,0.7891080117880885,0.6720838187924063,0.5223275478034405
EOS-4-02483,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ccncc1,AVKTZWMLNLJZBM-UHFFFAOYSA-N,4,1,0.512,97,103,428.427,3.975,5,0.404,0.74,1.0,0.8993043657048866,0.7513107394969502,0.8079638133095743,0.7093071071208279,0.7919715064080597
EOS-4-02484,Cc1ccc(F)c(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)c1,TVRWDSOIWXNCRN-UHFFFAOYSA-N,4,1,0.321,96,914,417.379,4.022,5,0.436,0.8,1.0,0.5644661092454253,0.6468285244328695,0.694246453293126,0.6432646837091358,0.6372014426701391
EOS-4-02485,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1cc[nH]n1,MIYNZONWONINCJ-UHFFFAOYSA-N,4,1,0.495,37,490,437.385,3.615,5,0.436,0.59,1.0,0.9041618120759373,0.8530429716948804,0.817670139126859,0.8210198067301762,0.8489736824069632
EOS-4-02486,Fc1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)cc1-c1cnncn1,GUQAJJQIWIJPBK-UHFFFAOYSA-N,4,1,0.457,36,208,453.8,2.944,5,0.396,0.58,0.975,0.8228531286409431,0.8708279076142827,0.6562093071071208,0.7008858200260435,0.7626940408470975
EOS-4-02488,Fc1cc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6ccnc(F)c6)nc5)n34)cn2)ccn1,LUBTZHGTOFJERA-UHFFFAOYSA-N,4,1,0.342,42,989,465.427,4.046,6,0.359,0.7,1.0,0.29416249742992256,0.38773045027756836,0.6916678089233089,0.6926615722020424,0.5165555822082105
EOS-4-02489,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)ccc1-c1ncccn1,QDYAADNBCDMVEY-UHFFFAOYSA-N,4,1,0.694,91,313,476.899,4.671,5,0.337,0.71,1.0,0.9734853676924131,0.9238229045301899,0.8176787060516757,0.7567764375299842,0.8679408539510657
EOS-4-02490,OCc1cc(-c2nnc3cncc(OCCc4ccc(Br)cn4)n23)ccc1Cl,OIXHIQJKSHDUAW-UHFFFAOYSA-N,4,1,0.571,90,400,460.719,3.716,4,0.472,0.76,1.0,0.8605818655335481,0.9183143718730724,0.7667055033925022,0.7814234802275375,0.8317563052566651
EOS-4-02491,CC(F)c1cnc(Cc2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)cn1,LSRSRRAMSDNYTJ-UHFFFAOYSA-N,4,1,0.354,85,674,430.422,3.799,5,0.419,0.59,0.999,0.37434891371393325,0.4516739771091769,0.5837245562332944,0.5646203138921253,0.4935919402371325
EOS-4-02492,Fc1cc(-c2nnccc2Cl)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,PERUPSOGEHQSSY-UHFFFAOYSA-N,4,1,0.462,72,208,469.267,4.063,5,0.38,0.64,1.0,0.8228616955657597,0.8947895963265027,0.6916763758481256,0.7837622507024878,0.798272479610719
EOS-4-02493,CC(F)(c1ccc(F)cn1)c1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12,IVLWBGIEXCKLOM-UHFFFAOYSA-N,4,1,0.338,14,487,439.426,4.216,5,0.417,0.56,1.0,0.2183537797272291,0.3830700431773011,0.912471729148105,0.8701853882530327,0.596020235076417
EOS-4-02494,Fc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)ccc1-c1ncccn1,UZAFSCZMVZXRDZ-UHFFFAOYSA-N,4,1,0.5,73,208,452.812,3.549,5,0.399,0.63,1.0,0.8671869645671989,0.8763792748954835,0.6531766157220205,0.692670139126859,0.7723532485778906
EOS-4-02495,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(C#N)c(C#N)n4)n23)ccc1Cl,IEZDEZZKMVHULT-UHFFFAOYSA-N,4,1,0.561,90,636,426.827,3.076,4,0.474,0.69,0.998,0.9457627989856761,0.9644044273867453,0.840492426838462,0.8350181618806113,0.8964194537728737
EOS-4-02496,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccc(Cl)c4F)n23)cc1,LRFJAGGHQVTBDH-UHFFFAOYSA-N,4,1,0.562,43,178,452.852,4.702,5,0.361,0.66,1.0,0.8558700568843808,0.8466520457816462,0.9385922829141251,0.9300938934959907,0.8928020697690356
EOS-4-02497,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)c(F)c1-c1ncco1,GSWBMMFPDGVCPJ-UHFFFAOYSA-N,4,1,0.59,35,0,420.379,3.741,5,0.413,0.58,1.0,0.8945497224316359,0.7148242067027619,0.6833493249263245,0.6635083270509218,0.739057895277911
EOS-4-02498,FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(-c5nnco5)cn4)n23)cc1,ACLFBKQYLZSWGX-UHFFFAOYSA-N,4,1,0.605,72,996,423.339,3.63,5,0.404,0.74,1.0,0.8558786238091974,0.7557912411760674,0.7713659104927695,0.67503084092934,0.7645166541018436
EOS-4-02499,Fc1cnc(-c2ccc(-c3nnc4cncc(COc5ccncc5F)n34)cn2)nc1,GOOIWTKENNVDAI-UHFFFAOYSA-N,4,1,0.387,73,767,418.367,2.896,5,0.429,0.79,1.0,0.6777808237954903,0.6137087930916318,0.5205520526351861,0.4920241929956823,0.5760164656294976
EOS-4-02500,Cn1nccc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cc1C#N,KFYLXWUDKWGVLL-UHFFFAOYSA-N,4,1,0.459,13,724,463.835,4.787,5,0.38,0.67,1.0,0.6897145500651086,0.7513193064217668,0.9511942293194435,0.9429871153450757,0.8338038002878486
EOS-4-02501,N#Cc1ccc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)cc1F,WHPWXTMCUBBJJI-UHFFFAOYSA-N,4,1,0.617,90,281,396.332,3.097,4,0.515,0.66,1.0,0.9743163593996299,0.9722688643684463,0.9494208758823932,0.9429956822698924,0.9597504454800905
EOS-4-02502,Fc1cnccc1OCc1cncc2nnc(-c3ccc(-c4cscn4)c(Cl)c3)n12,ZXSMXPXUHWNTED-UHFFFAOYSA-N,4,1,0.421,14,189,438.875,4.681,5,0.396,0.76,1.0,0.5869628538139949,0.6040110341991639,0.8176872729764924,0.8309317387430608,0.709898224933178
EOS-4-02503,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnc(-c5cnc(F)cn5)cn4)n23)cc1,LBYNSDWBINVMEB-UHFFFAOYSA-N,4,1,0.387,94,443,466.415,3.441,6,0.385,0.67,1.0,0.31984613803029266,0.4206360084983894,0.4959821122609828,0.5614591186347748,0.4494808443561099
EOS-4-02504,Fc1nc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,IBRJFIPQFILMDD-UHFFFAOYSA-N,4,1,0.667,23,385,404.232,4.254,4,0.466,0.81,1.0,0.990250839558632,0.9916215475292989,0.8682064286203824,0.9195480090466726,0.9424067061887464
EOS-4-02505,NC(=O)c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)c(F)c1F,YIZRDSRNOLIYEJ-UHFFFAOYSA-N,4,1,0.563,90,133,414.347,2.324,4,0.485,0.71,0.999,0.5614505517099582,0.45168254403399355,0.7173942841477623,0.660535604139538,0.597765746007813
EOS-4-02506,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4F)n23)nc1Cl,ZOFJINSHDDALFQ-UHFFFAOYSA-N,4,1,0.411,51,379,453.8,2.944,5,0.292,0.58,1.0,0.7532468645055171,0.817695839901309,0.41418511411143855,0.4615944760468782,0.6116805736412858
EOS-4-02507,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4F)n23)ccn1,VSERENVODQGCDE-UHFFFAOYSA-N,4,1,0.583,11,0,420.379,3.741,5,0.387,0.66,1.0,0.9057295593173874,0.7898276334726887,0.7871033513809883,0.7567850044548009,0.8098613871564663
EOS-4-02508,Fc1cc(CCOc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nnc1Cl,UBUFPXQXMMPBJZ-UHFFFAOYSA-N,4,1,0.57,68,127,421.77,3.328,4,0.471,0.66,1.0,0.8671955314920157,0.9438695086011926,0.7594493180727846,0.7567935713796176,0.8318269823864026
EOS-4-02509,Fc1cc(F)nc(COc2cncc3nnc(-c4cc(Cl)cc(-c5cocn5)c4)n23)c1,NNSOALVAKKPGPD-UHFFFAOYSA-N,4,1,0.578,59,439,440.797,4.352,5,0.375,0.73,1.0,0.5644746761702419,0.6415512987458022,0.8708878760879994,0.8828558700568844,0.739942430265232
EOS-4-02510,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)nn4)n23)c1,LWRPKMCJCWDMRV-UHFFFAOYSA-N,4,1,0.447,54,16,436.357,3.035,5,0.414,0.64,0.992,0.732335001028031,0.6711243232129395,0.6887807552600919,0.7173171818244123,0.7023893153313686
EOS-4-02511,Cc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ccc1-c1ncc(Cl)cn1,IUUPJMAKWZVWEW-UHFFFAOYSA-N,4,1,0.465,46,16,465.851,4.462,5,0.378,0.65,1.0,0.8517065314234802,0.7937512850387225,0.7227743129326297,0.7516448495648003,0.7799692447399083
EOS-4-02512,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nccc5ccccc45)nc3)n12,SMFFTIPCFLLOHU-UHFFFAOYSA-N,4,1,0.521,28,56,463.476,4.557,6,0.335,0.73,0.997,0.9174833801658556,0.912548831471455,0.6088513467205812,0.6257538893838668,0.7661593619354397
EOS-4-02513,Fc1nnc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)nc3F)n12,PGQPGPXBCZACEX-UHFFFAOYSA-N,4,1,0.489,58,143,466.839,3.591,5,0.35,0.68,1.0,0.8778185182646837,0.9238314714550065,0.5607223631005415,0.6143084778287986,0.7441702076622576
EOS-4-02514,Fc1cc(F)nc(COc2cncc3nnc(-c4ccnc(-c5ccccc5)c4)n23)c1,LLEYOQRCHOVLJO-UHFFFAOYSA-N,4,1,0.548,1,700,416.391,4.106,5,0.402,0.75,1.0,0.64991261736687,0.6615465012679048,0.795387567678706,0.7975207319580563,0.7260918545678843
EOS-4-02515,N#Cc1nc(-c2ccnc(F)c2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,DPTOJNJRNSZMPC-UHFFFAOYSA-N,4,1,0.505,35,393,438.426,3.276,5,0.371,0.65,1.0,0.8852974436296347,0.8947981632513193,0.6117726680830649,0.5711397436776094,0.7407520046604071
EOS-4-02516,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1ccncc1,CQPOIEMPYDPUDF-UHFFFAOYSA-N,4,1,0.517,97,83,446.417,4.114,5,0.363,0.7,1.0,0.7170173394558289,0.742675279281749,0.8485624700157631,0.7718884929065862,0.7700358954149819
EOS-4-02517,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cn1,NIAROJURBPNQHN-UHFFFAOYSA-N,4,1,0.306,85,976,449.4,3.275,5,0.402,0.57,0.993,0.32218490850524295,0.3541909396203139,0.5136813789322184,0.4584761154136111,0.4121333356178466
EOS-4-02518,Fc1cccc(COc2cncc3nnc(-c4cnnc(-c5cccnn5)c4)n23)c1F,BGODBSBWLDZYLK-UHFFFAOYSA-N,4,1,0.477,54,389,418.367,2.896,5,0.429,0.53,1.0,0.7323435679528476,0.710232335001028,0.6724179288602563,0.6809762867521074,0.6989925296415598
EOS-4-02519,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c(F)c1,JKVMSIXTCNNMJF-UHFFFAOYSA-N,4,1,0.763,23,406,427.386,3.19,4,0.511,0.78,1.0,0.807149955451991,0.5992478240010966,0.877450140497567,0.815014392433692,0.7747155780960866
EOS-4-02520,Fc1ccccc1-c1nnc(COc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)o1,FYJROJFBAHFMFD-UHFFFAOYSA-N,4,1,0.566,34,146,457.252,4.866,5,0.372,0.75,1.0,0.8254574737852101,0.9323898293468577,0.7482266465629498,0.8620125419779316,0.8420216229182373
EOS-4-02521,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)n[nH]1,PODFPDKOKZDEJX-UHFFFAOYSA-N,4,1,0.578,43,293,432.394,2.913,5,0.441,0.71,1.0,0.8815279967103009,0.7513278733465835,0.7097011856623946,0.6926787060516757,0.7588089404427387
EOS-4-02522,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccccc1,GJRURKQAHLQFGK-UHFFFAOYSA-N,4,1,0.583,79,955,441.466,4.623,5,0.343,0.74,1.0,0.9590672332259612,0.8708364745390994,0.8140720307038586,0.7414159413336988,0.8463479199506545
EOS-4-02523,N#Cc1nc(COc2cncc3nnc(-c4cc(-c5ccc(F)cc5)ncn4)n23)ccc1F,CRWVJTJFFREHMN-UHFFFAOYSA-N,4,1,0.421,44,130,442.389,3.372,5,0.407,0.59,0.996,0.6654701528339387,0.7007059146048934,0.7434377355904325,0.7362843533685148,0.7114745390994449
EOS-4-02524,Fc1cc(-c2nnc3cncc(OCc4ccc(-c5cscn5)cn4)n23)cc(Cl)c1F,SXQORCGDOXZCMG-UHFFFAOYSA-N,4,1,0.649,59,71,456.865,4.82,5,0.353,0.68,1.0,0.6777893907203071,0.8397128366801453,0.8969484613803029,0.8938301007470358,0.8270701973819479
EOS-4-02525,Fc1cc(-c2ncncc2F)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,QRPSANICRSPSCV-UHFFFAOYSA-N,4,1,0.457,4,208,452.812,3.549,5,0.399,0.64,1.0,0.837810979370845,0.8649081625659654,0.6942550202179426,0.7362929202933315,0.7833167706120211
EOS-4-02526,Fc1ccc(-c2nnc3cncc(OCc4ccc(-c5nccnn5)nc4)n23)cc1Cl,RFCUFIKCQQCPBH-UHFFFAOYSA-N,4,1,0.58,16,391,434.822,3.41,5,0.414,0.69,1.0,0.8834127201699677,0.9015146323075869,0.6418511411143856,0.672092385717223,0.7747177198272908
EOS-4-02527,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(C)(F)F)nc4)n23)c(F)c1,GYCKIPBPAGWSBX-UHFFFAOYSA-N,4,1,0.424,66,9,426.402,3.388,4,0.529,0.86,1.0,0.37189020629154956,0.4474076485504763,0.8920738811596189,0.7200243300664794,0.607849016517031
EOS-4-02528,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)nc1,CGEJSNQYSPIRHP-UHFFFAOYSA-N,4,1,0.482,55,332,447.861,4.323,5,0.396,0.8,1.0,0.8582088273593311,0.8842779795764513,0.6754249194709068,0.6926872729764924,0.7776497498457954
EOS-4-02529,Cc1nc(-c2ncc(F)cc2F)c(-c2nnc3cncc(-c4csc(C#N)c4)n23)cc1F,VIUXCOUVWGORDK-UHFFFAOYSA-N,4,1,0.281,50,575,449.421,4.574,5,0.401,0.55,1.0,0.3125042834624083,0.447416215475293,0.8122901103419916,0.8409721746281955,0.6032956959769722
EOS-4-02530,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ncc[nH]5)cc4)n23)c1,JITZCFXNNUIICK-UHFFFAOYSA-N,4,1,0.545,35,201,419.395,3.476,5,0.424,0.75,1.0,0.9382067712973751,0.8021811390583237,0.7097097525872113,0.6840346789116579,0.783533085463642
EOS-4-02531,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cc1Cl,FZVFTOVAEYGZLR-UHFFFAOYSA-N,4,1,0.573,90,385,434.714,5.076,4,0.41,0.72,1.0,0.9392690699746419,0.9482814748817764,0.8851261051333014,0.9289973271194572,0.9254184942772942
EOS-4-02532,Cc1cnc(CCOc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)cn1,JVRVFKPNUNCSCQ-UHFFFAOYSA-N,4,1,0.57,68,127,416.819,4.102,4,0.471,0.75,0.998,0.8853060105544514,0.9535844013432938,0.8437478582687958,0.8105253238297581,0.8732908984990748
EOS-4-02533,N#Cc1ncc(-c2nnc3cncc(OCc4cccc(F)c4)n23)c(-c2ccc(Cl)nn2)n1,JEZVMVQBGNALPW-UHFFFAOYSA-N,4,1,0.5,59,97,459.832,3.281,5,0.388,0.69,1.0,0.8446216846000959,0.8431995750805291,0.5030155575354671,0.5868343499417449,0.6944177917894593
EOS-4-02534,FC(F)CNCCc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1,KLAXIOBESLGDKB-UHFFFAOYSA-N,4,1,0.517,68,127,445.861,3.211,4,0.312,0.61,0.953,0.4750531149338633,0.4342488520320746,0.672426495785073,0.6229353711191831,0.5511659584675485
EOS-4-02535,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)cc4F)n23)n1,LGUWJVDSYNFSJM-UHFFFAOYSA-N,4,1,0.506,37,0,432.394,2.938,5,0.377,0.67,1.0,0.8834212870947844,0.8621239120005483,0.537497429922555,0.5083184839969844,0.697840278253718
EOS-4-02536,N#Cc1cc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)ccc1F,CGDFBTOMXMIZTI-UHFFFAOYSA-N,4,1,0.588,1,951,428.452,4.505,5,0.409,0.76,1.0,0.9473733808512097,0.8971455006510863,0.8750599684737167,0.8390103488451786,0.8896472997052978
EOS-4-02537,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5Cl)n34)cc2F)n1,ODFSHZKKBKYMOE-UHFFFAOYSA-N,4,1,0.527,35,325,479.878,4.505,5,0.331,0.63,1.0,0.9597354533616613,0.9619028853402782,0.7851672263724213,0.7743129326297032,0.870279624426016
EOS-4-02538,N#Cc1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nn5)c(F)c4)n23)cn1,CCWUGCBEXHXPFL-UHFFFAOYSA-N,4,1,0.341,96,46,412.363,3.46,5,0.447,0.74,1.0,0.3812195874169008,0.5144781029401686,0.8563583715989308,0.860299157014598,0.6530888047426496
EOS-4-02539,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)c(F)c4)n23)ccn1,NFVVMOYITNMEDM-UHFFFAOYSA-N,4,1,0.595,11,595,420.379,3.741,5,0.387,0.61,1.0,0.9328781440614077,0.7937598519635392,0.7571191145226509,0.7173257487492289,0.8002707148242066
EOS-4-02541,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)cc4)n23)nnc1F,CBNOBVYALFCCFP-UHFFFAOYSA-N,4,1,0.506,72,889,465.851,4.196,5,0.371,0.67,1.0,0.9522479610718936,0.9610975944075115,0.7253272565279967,0.7792303474744706,0.8544757898704681
EOS-4-02542,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4F)n23)ncc1Cl,OIUZQVYYKPHZQA-UHFFFAOYSA-N,4,1,0.505,11,0,454.824,4.394,5,0.375,0.67,1.0,0.8924936604756357,0.8592111575628812,0.8504129257761633,0.8620211089027483,0.8660347131793571
EOS-4-02543,COc1cc(-c2nnc3cncc(OCCCc4ccccc4F)n23)ccc1-c1ccccn1,WPERKUQQJKXJHP-UHFFFAOYSA-N,4,1,0.556,79,955,455.493,5.013,5,0.306,0.79,1.0,0.9508429854019601,0.8733979850592831,0.7227828798574464,0.6605441710643547,0.801892005345761
EOS-4-02544,O=C(Nc1cc(F)nc(F)c1F)c1ccc(-c2cncc3nnc(-c4cccc(F)c4)n23)s1,VDPAREVDPLWHKM-UHFFFAOYSA-N,4,1,0.391,45,140,470.411,4.724,5,0.303,0.73,1.0,0.10329997943938043,0.29041018436022203,0.8357120827907615,0.8288499760126106,0.5145680556507436
EOS-4-02545,Fc1cc(CCOc2cncc3nnc(-c4cccc(F)c4F)n23)nnc1Cl,GDPAQTIMFJDEPU-UHFFFAOYSA-N,4,1,0.53,90,281,406.755,3.274,4,0.506,0.71,1.0,0.8494105955726132,0.9183229387978891,0.817695839901309,0.8772359673771503,0.8656663354122404
EOS-4-02547,Cc1ncc(F)c(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,HJOPGFKJOSIYPI-UHFFFAOYSA-N,4,1,0.646,68,305,402.336,3.209,4,0.489,0.76,1.0,0.9242598176958399,0.9424302652319924,0.8101569460626413,0.7334572681790145,0.852576074292372
EOS-4-02548,CC(F)(F)c1ncc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cn1,ZMLKGHDERJCOME-UHFFFAOYSA-N,4,1,0.455,68,811,436.785,2.897,4,0.454,0.61,1.0,0.6925587691042423,0.7855184702899047,0.5442053320540059,0.45525495168254404,0.6193843807826742
EOS-4-02549,COc1cccc(F)c1COc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,WEWZVHUHBPBATG-UHFFFAOYSA-N,4,1,0.506,97,183,428.427,3.975,5,0.404,0.78,1.0,0.7933229387978891,0.6370707970666849,0.7690442738674526,0.6662583099170721,0.7164240799122746
EOS-4-02550,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)ccc1F,DWGDQQQHVWMJJO-UHFFFAOYSA-N,4,1,0.511,4,702,447.817,4.084,5,0.395,0.62,1.0,0.7561424850935509,0.8217051607155096,0.8122986772668083,0.8061219244739908,0.7990670618874649
EOS-4-02551,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc(-c2ccc(Cl)nc2)n1,HJERLOJBHVHZAL-UHFFFAOYSA-N,4,1,0.535,35,525,447.861,4.057,5,0.362,0.7,1.0,0.9215783702282229,0.9323983962716743,0.7046638338701939,0.720032896991296,0.8196683743403468
EOS-4-02552,N#Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4)n23)c(F)n1,RFXBTPDFAIFLHD-UHFFFAOYSA-N,4,1,0.333,96,586,410.372,3.446,5,0.414,0.79,1.0,0.514906449181002,0.5900126790487287,0.6352803097800014,0.5774107326434104,0.5794025426632856
EOS-4-02553,Cn1ccnc1-c1ccc(-c2nnc3cncc(OC4CCCC4(F)F)n23)cc1F,RUYLRTFHZZMAOI-UHFFFAOYSA-N,4,1,0.452,78,548,414.391,3.898,5,0.507,0.57,1.0,0.8071585223768076,0.7426838462065657,0.7457422383661161,0.797529298882873,0.7732784764580907
EOS-4-02554,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)nn1,PAXAXGLCQOOINQ-UHFFFAOYSA-N,4,1,0.518,36,208,453.8,2.944,5,0.396,0.62,1.0,0.8446302515249127,0.9084538414090878,0.47526728805428003,0.5421235693235557,0.692618737577959
EOS-4-02555,N#Cc1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)cn5)cn4)n23)cc1F,QBEQESDMUVYSTK-UHFFFAOYSA-N,4,1,0.41,50,261,413.351,2.855,5,0.443,0.73,1.0,0.3858285929682681,0.5373346583510383,0.7147899390034953,0.7278373654992804,0.5914476389555205
EOS-4-02556,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c(F)c1Cl,QYVBCQQLRMOGAI-UHFFFAOYSA-N,4,1,0.506,73,577,456.865,4.82,5,0.377,0.68,1.0,0.6957542320608594,0.7193132753066959,0.8520406414913303,0.8651651703104654,0.7830683297923378
EOS-4-02557,Cc1nnc(-c2cnnc(-c3cncc4nnc(-c5c(Cl)ccc(Cl)c5F)n34)c2)nc1F,AMBMKOMWCXTGCX-UHFFFAOYSA-N,4,1,0.333,22,844,472.246,3.994,5,0.363,0.61,0.974,0.2993883215680899,0.4869782742786649,0.5804091563292441,0.7414245082585155,0.5270500651086286
EOS-4-02558,COc1ncc(F)cc1COc1cncc2nnc(-c3ccc(F)c(-c4ncccn4)c3)n12,JUYSGYGVKXQQEQ-UHFFFAOYSA-N,4,1,0.523,16,82,447.405,3.509,5,0.39,0.71,1.0,0.9133626893290384,0.8138664245082585,0.6264221095195669,0.532057432663971,0.7214271640052087
EOS-4-02559,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1ccnnc1,HYDUWTRNAAPLOV-UHFFFAOYSA-N,4,1,0.489,4,202,442.389,3.372,5,0.381,0.61,1.0,0.7233140291960798,0.7727537523130698,0.8669213898978823,0.842839764238229,0.8014572339113151
EOS-4-02560,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1ccsc1,RPUQCJVZRPZNHY-UHFFFAOYSA-N,4,1,0.711,91,103,464.497,5.428,5,0.322,0.7,1.0,0.9545695976972106,0.8763878418203002,0.9314988691659242,0.8924165581522857,0.9137182167089302
EOS-4-02561,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4F)n23)n1,COYNIMLNURMDTR-UHFFFAOYSA-N,4,1,0.426,58,24,437.345,2.43,5,0.302,0.62,0.978,0.6867418271537249,0.7240165170310465,0.4180059625796724,0.4207388115961894,0.5623757795901583
EOS-4-02562,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1Cl,PKBPJKAXCIHOML-UHFFFAOYSA-N,4,1,0.562,90,385,418.259,4.562,4,0.445,0.75,1.0,0.9491638681378932,0.9689620313892126,0.8838582002604345,0.9121204852306216,0.9285261462545404
EOS-4-02564,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccncn5)c4)n23)c1Cl,ZNYPLRNVJGYUNH-UHFFFAOYSA-N,4,1,0.489,16,606,447.861,4.323,5,0.396,0.67,1.0,0.9294770749091906,0.8708450414639161,0.8140805976286752,0.7996881639366733,0.8535227194846138
EOS-4-02565,Fc1cc(Oc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)c(F)cc1Br,PPCAOBZVOIHVFM-UHFFFAOYSA-N,4,1,0.488,13,15,487.289,5.143,5,0.327,0.7,1.0,0.8071670893016243,0.8994157357275032,0.8827530669590844,0.8744431498869166,0.8659447604687821
EOS-4-02566,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cc(F)ncn5)ncn4)n23)c1,VECILNAMYJGMRX-UHFFFAOYSA-N,4,1,0.477,44,488,418.367,2.896,5,0.402,0.68,1.0,0.7412703036118155,0.5946645192241793,0.617855184702899,0.620305325200466,0.64352383318484
EOS-4-02567,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(Oc5ncccn5)nc4)n23)n1,NCBQWAUCDHIYRP-UHFFFAOYSA-N,4,1,0.421,7,85,435.354,2.416,5,0.367,0.69,1.0,0.6352546090055514,0.5851038311287781,0.2964412994311562,0.21145740524981152,0.4320642862038243
EOS-4-02568,COc1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1-c1ccc(F)nn1,XIUQNLOGXTYRJQ-UHFFFAOYSA-N,4,1,0.418,72,224,466.383,3.043,5,0.349,0.61,1.0,0.8605904324583648,0.8293639915016106,0.6238434651497499,0.5217000205606196,0.7088744774175861
EOS-4-02569,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5ccnnc5)c4)n23)cn1,BCVBKGOWJOPFLS-UHFFFAOYSA-N,4,1,0.537,97,202,450.289,4.529,5,0.364,0.62,1.0,0.7589181687341512,0.8790864231375506,0.8682149955451991,0.8953036118155027,0.850380799808101
EOS-4-02570,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4F)n23)cc1Cl,KLEZDZAAMHRBTQ-UHFFFAOYSA-N,4,1,0.505,11,0,454.824,4.394,5,0.375,0.71,1.0,0.8890668905489686,0.8559899938318142,0.8504214927009801,0.8635031868960318,0.8647453909944487
EOS-4-02571,Fc1cnc(-c2cc(-c3nnc4cncc(COc5ccc(F)nc5)n34)ccn2)nc1,LEOZQSNRLFYVKR-UHFFFAOYSA-N,4,1,0.38,73,767,418.367,2.896,5,0.402,0.77,1.0,0.5459786854910561,0.5144866698649853,0.5136899458570352,0.4889829346857652,0.5157845589747104
EOS-4-02572,N#Cc1ccc(-c2nnc3cncc(Cc4nnc(-c5ccc(F)cn5)nn4)n23)c(F)c1,VYGZHPOVYCWGLM-UHFFFAOYSA-N,4,1,0.385,22,784,428.366,2.174,5,0.422,0.65,1.0,0.40753718045370435,0.5236275786443698,0.33668014529504486,0.4951596874785827,0.4407511479679254
EOS-4-02573,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)ncn1,VNKVPXAQDMBBMR-UHFFFAOYSA-N,4,1,0.457,4,208,452.812,3.549,5,0.373,0.63,1.0,0.8201545473236926,0.864916729490782,0.722791446782263,0.7516534164896169,0.7898790350215887
EOS-4-02574,OCc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)ccc1Cl,QWZLIRSLBPODQT-UHFFFAOYSA-N,4,1,0.473,4,817,463.86,3.507,5,0.407,0.73,1.0,0.7380320060311151,0.8621324789253649,0.7977263381536563,0.7860239188540882,0.7959786854910561
EOS-4-02575,Fc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ncc(Cl)cn3)n12,BVQCXLKRGPRHRA-UHFFFAOYSA-N,4,1,0.541,11,795,447.861,4.057,5,0.387,0.7,1.0,0.8890754574737852,0.9125573983962717,0.5340963607703378,0.6111558494962648,0.7367212665341649
EOS-4-02576,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,OOXGANANRDDSTH-UHFFFAOYSA-N,4,1,0.523,58,262,448.849,3.452,5,0.364,0.63,1.0,0.9174919470906723,0.9145620588033719,0.42554485641834006,0.4552635186073607,0.6782155952299362
EOS-4-02577,Fc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCc4ccc(Cl)nc4)n23)c1,BMTXLKAETMOOJD-UHFFFAOYSA-N,4,1,0.512,72,389,433.834,4.015,5,0.386,0.71,1.0,0.770526351860736,0.7102409019258447,0.8020269344116236,0.8150229593585087,0.7744542868891783
EOS-4-02578,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccc2F)nc1,IHAUDEMYNOMIEX-UHFFFAOYSA-N,4,1,0.494,73,82,452.812,3.549,5,0.399,0.72,1.0,0.8778270851895004,0.894806730176136,0.632324720718251,0.6840432458364746,0.7722504454800905
EOS-4-02579,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)cc1F,KEANICDCPBGUEK-UHFFFAOYSA-N,4,1,0.679,84,28,470.892,4.863,5,0.33,0.57,1.0,0.935037009115208,0.9449746419025427,0.8213539167980262,0.8447930230964293,0.8865396477280515
EOS-4-02580,CC(F)(c1ncc(Cc2cncc3nnc(-c4cnc(C(F)(F)F)nc4)n23)nn1)C1CCCC1,VIYYQGGDWOYPPW-UHFFFAOYSA-N,4,1,0.341,78,455,473.438,3.751,5,0.404,0.55,1.0,0.2429494208758824,0.344801590021246,0.12983174559660066,0.22550716194914674,0.23577247961071898
EOS-4-02581,Cc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1nccs1,JTLYUCXQVJLZRT-UHFFFAOYSA-N,4,1,0.62,13,15,437.887,5.808,5,0.355,0.83,1.0,0.9119234459598382,0.8708536083887328,0.8814937290110342,0.8858285929682681,0.8875248440819683
EOS-4-02582,Cc1nc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1ccccn1,JNVMNTZRYVOXQV-UHFFFAOYSA-N,4,1,0.449,44,332,446.873,4.928,5,0.381,0.73,1.0,0.7933315057227058,0.797889109725173,0.7713744774175861,0.7930059625796724,0.7889002638612843
EOS-4-02583,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4F)n23)c1,RHFLAPFVLYJKEM-UHFFFAOYSA-N,4,1,0.553,35,0,420.379,3.741,5,0.413,0.7,1.0,0.911932012884655,0.7727623192378864,0.7713830443424029,0.7568021383044342,0.8032198786923446
EOS-4-02584,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)cc1-c1ccnnc1F,XVHMADPOTSWUOR-UHFFFAOYSA-N,4,1,0.463,4,702,467.399,3.244,5,0.381,0.56,1.0,0.7933400726475225,0.7978976766499897,0.8609416763758482,0.8189894455486258,0.8177922178054965
EOS-4-02585,Cc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cc(F)c(F)cc3F)n12,ATLKAIAVCPRXCL-UHFFFAOYSA-N,4,1,0.489,59,445,449.396,3.948,5,0.375,0.67,0.78,0.851715098348297,0.8361575628812281,0.8340672332259612,0.8061304913988074,0.8320175964635734
EOS-4-02586,Fc1ncccc1OCc1cncc2nnc(-c3ccc(-c4ccc(C(F)F)nc4)nn3)n12,TYUFCAXONHPEDF-UHFFFAOYSA-N,4,1,0.343,85,920,450.384,3.694,5,0.361,0.62,0.897,0.6098194092248647,0.6272788020012336,0.7434463025152491,0.6635168939757384,0.6610153519292715
EOS-4-02587,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccc5F)n34)cc2F)n1,KTNZJUDEDZSXMC-UHFFFAOYSA-N,4,1,0.557,88,70,463.423,3.991,5,0.376,0.58,1.0,0.9577136591049277,0.9628709478445617,0.797734905078473,0.7953790007538893,0.878424628195463
EOS-4-02588,COc1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5F)nc4F)n23)cn1,LNDGVEDMJWVBSX-UHFFFAOYSA-N,4,1,0.395,96,478,417.379,3.597,5,0.413,0.75,1.0,0.480039065177164,0.537343225275855,0.6385785758344185,0.6171184291686657,0.5682698238640258
EOS-4-02589,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccc1-c1ncco1,FETFVWGVDKHKGW-UHFFFAOYSA-N,4,1,0.517,43,383,451.845,4.826,5,0.365,0.73,1.0,0.959744020286478,0.8498132410389967,0.8801401548900006,0.8329878006990611,0.880671304228634
EOS-4-02590,Cc1ccnc(CCOc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)n1,HHGARLXVRXCMPK-UHFFFAOYSA-N,4,1,0.542,90,636,416.819,4.102,4,0.471,0.76,1.0,0.885314577479268,0.9525563703652937,0.7891165787129052,0.7670053457610856,0.8484982180796381
EOS-4-02591,N#Cc1cc(-c2nnc3cncc(OCCc4cscc4F)n23)ccc1-c1ncc(F)cn1,SJXTXNYAGKPYJF-UHFFFAOYSA-N,4,1,0.558,35,632,461.457,4.081,5,0.375,0.54,1.0,0.9371359056952916,0.892382290453019,0.7551401548900006,0.7387259269412652,0.8308460694948941
EOS-4-02592,COc1cc(F)cc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c1,LLAUJGZDMBIMBF-UHFFFAOYSA-N,4,1,0.53,97,183,428.427,3.975,5,0.404,0.74,1.0,0.7933486395723391,0.7380063052566651,0.8079723802343911,0.7093156740456446,0.76216074977726
EOS-4-02593,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4F)n23)ccc1F,NOCUJDLKHUTWTD-UHFFFAOYSA-N,4,1,0.447,4,702,443.377,2.767,5,0.377,0.66,1.0,0.6986584195737098,0.7898362003975054,0.6294033993557673,0.5808289356452607,0.6746817387430607
EOS-4-02595,FC(F)c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1,BRUKXTWCHKRZTK-UHFFFAOYSA-N,4,1,0.634,68,127,402.792,3.794,4,0.456,0.65,1.0,0.8945582893564527,0.9717120142553629,0.8637858954149819,0.8288585429374272,0.8897286854910562
EOS-4-02597,N#Cc1cc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)ccc1-c1cccnn1,GBIJELQUBMMTRA-UHFFFAOYSA-N,4,1,0.467,72,214,424.399,3.233,5,0.395,0.69,1.0,0.9008635460215201,0.8498218079638133,0.7829141251456377,0.7363014872181481,0.8174752415872798
EOS-4-02598,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnccc1Cl,DBPNGFOSNXAMAK-UHFFFAOYSA-N,4,1,0.539,35,982,476.899,4.671,5,0.337,0.77,1.0,0.9328867109862243,0.9084624083339045,0.8669299568226989,0.8309403056678775,0.8848048454526762
EOS-4-02599,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cccnn4)nn3)n12,GYPZPAJGPCFNHB-UHFFFAOYSA-N,4,1,0.429,54,691,434.822,3.41,5,0.414,0.79,1.0,0.7733962716743198,0.7640925913234186,0.5544856418340073,0.6491758618326365,0.6852875916660955
EOS-4-02600,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)c(F)n2)cn1,KTQUHLRLRQHZES-UHFFFAOYSA-N,4,1,0.463,58,143,466.839,3.591,5,0.276,0.68,1.0,0.8629206360084984,0.9238400383798232,0.57435234048386,0.5988023439106298,0.7399788396957029
EOS-4-02601,COc1cc(-c2nnc3cncc(CNCc4cc(F)cc(F)c4F)n23)ccc1-c1cnco1,KFYYREQLXBXUBU-UHFFFAOYSA-N,4,1,0.368,14,291,466.423,4.162,5,0.36,0.72,1.0,0.612903502158865,0.6184977040641492,0.9106555410869714,0.8568295524638476,0.7497215749434583
EOS-4-02602,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)c1,HAQFUAMRNDRCNU-UHFFFAOYSA-N,4,1,0.482,55,930,434.822,3.41,5,0.414,0.76,1.0,0.8605989993831814,0.8530515386196971,0.5341049276951545,0.5679185799465424,0.7039185114111439
EOS-4-02605,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1ccccn1,DMVNYTXIGNVLDK-UHFFFAOYSA-N,4,1,0.683,79,955,441.466,4.623,5,0.367,0.8,1.0,0.9629566170927284,0.8678466177780824,0.7977434720032897,0.7200414639161127,0.8371470426975534
EOS-4-02606,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cc1F,BMCAUBYHEMIQSC-UHFFFAOYSA-N,4,1,0.439,66,688,442.376,3.903,5,0.485,0.9,1.0,0.3582773627578644,0.5009594955794668,0.8943783839353026,0.865173737235282,0.654697244876979
EOS-4-02607,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)nc1,JONTVVPDFSBKJL-UHFFFAOYSA-N,4,1,0.565,35,161,445.433,3.851,5,0.392,0.74,1.0,0.9408882187649921,0.9257076279898567,0.6833578918511412,0.6432732506339525,0.7983067473099856
EOS-4-02608,Cc1cc(Oc2cncc3nnc(-c4ccc(-c5cc(C#N)ccn5)nc4)n23)ccc1F,SKDJHGZORJAFHK-UHFFFAOYSA-N,4,1,0.489,13,374,423.411,4.36,5,0.423,0.71,1.0,0.8071756562264409,0.8559985607566308,0.8563669385237476,0.8210283736549928,0.835142382290453
EOS-4-02609,Cc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1ccccn1,LRUYEPLYEUTIIH-UHFFFAOYSA-N,4,1,0.456,44,910,430.418,4.414,5,0.411,0.69,0.973,0.812358645740525,0.7148327736275787,0.7977520389281064,0.7696182578301692,0.7736404290315948
EOS-4-02610,Fc1cc(COc2cncc3nnc(-c4ncc(-c5cc(F)c(Cl)nn5)nn4)n23)ccn1,DSERHJLLOPKNSD-UHFFFAOYSA-N,4,1,0.407,53,565,454.788,2.339,5,0.365,0.55,0.997,0.7323521348776643,0.6518316085258036,0.31087656774724143,0.4207473785210061,0.5289519224179289
EOS-4-02611,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)ncc1Cl,HQMCKHUMJYSPJX-UHFFFAOYSA-N,4,1,0.5,73,930,469.267,4.063,5,0.38,0.73,1.0,0.7734048385991364,0.8734065519840998,0.6642279487355219,0.7252758549790967,0.7590787985744637
EOS-4-02612,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)ccn1,QPWKSOABWHLECQ-UHFFFAOYSA-N,4,1,0.417,14,189,438.875,4.681,5,0.371,0.77,1.0,0.5459872524158728,0.6565519840997875,0.8140891645534919,0.8288671098622439,0.711373877732849
EOS-4-02613,NC(=O)c1ccc(-c2nnc3cncc(CNC(=O)c4cc(F)c(F)c(F)c4)n23)cc1F,RCRJRIKZTVRWJC-UHFFFAOYSA-N,4,1,0.586,23,646,444.348,2.377,4,0.362,0.81,1.0,0.4233602905900898,0.48226646562949765,0.837322664656295,0.7860324857789048,0.6322454766636968
EOS-4-02614,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cocn4)cc3F)n12,AIUMUBFBOPPGCR-UHFFFAOYSA-N,4,1,0.56,35,0,420.379,3.741,5,0.413,0.67,1.0,0.8694229319443493,0.759851963539168,0.7931858680008225,0.7718970598314029,0.7985894558289357
EOS-4-02615,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Br)n4)n23)ccc1Cl,HKGOFARNIPJBNL-UHFFFAOYSA-N,4,1,0.556,90,385,490.148,4.749,4,0.376,0.69,0.999,0.9622798300322116,0.9765266260023302,0.8896665752861352,0.9227948735521897,0.9378169762182167
EOS-4-02616,Fc1ncccc1OCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,LJHWGVJCOWKITG-UHFFFAOYSA-N,4,1,0.394,85,767,434.822,3.41,5,0.387,0.78,1.0,0.6559265985881708,0.6615550681927216,0.47203755739839626,0.4829346857651977,0.5681134774861216
EOS-4-02618,CC(F)(F)c1ccc(-c2cncc3nnc(-c4nncnc4-c4cccc(F)n4)n23)nn1,UMHRSRYGWWGKNS-UHFFFAOYSA-N,4,1,0.253,50,356,436.361,2.746,5,0.392,0.64,0.229,0.20740524981152766,0.2955503392502227,0.4860359125488315,0.4393547392228086,0.3570865602083476
EOS-4-02619,Fc1ccc(Cc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)nc1Cl,RCBRIACVTUXVBG-UHFFFAOYSA-N,4,1,0.358,14,358,422.876,4.693,5,0.393,0.71,1.0,0.26686827496401894,0.387739017202385,0.6780035638407237,0.7466160646974163,0.519806730176136
EOS-4-02620,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,CCSGXHSMDITMGJ-UHFFFAOYSA-N,4,1,0.882,48,948,398.825,4.214,4,0.486,0.82,1.0,0.9876893290384483,0.9871667466246317,0.9256733602905901,0.8967171544102529,0.9493116475909807
EOS-4-02621,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1n[nH]c(C(F)F)n1,UPGCOAJLPWIRHK-UHFFFAOYSA-N,4,1,0.557,37,619,452.4,3.67,5,0.402,0.66,1.0,0.8871393324652183,0.8763964087451168,0.6861507093413748,0.6317250359810842,0.7703528716331984
EOS-4-02622,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,OVIVQBLWIQTSCO-UHFFFAOYSA-N,4,1,0.766,23,721,443.841,3.704,4,0.491,0.85,1.0,0.8925022274004524,0.7102494688506613,0.8788208484682338,0.851946405318347,0.8333797375094236
EOS-4-02623,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)cc1F,YMLGWZNNGCTMJL-UHFFFAOYSA-N,4,1,0.57,84,386,431.406,3.543,5,0.406,0.63,1.0,0.8871478993900349,0.8138749914330752,0.7618823247207183,0.7670139126859022,0.8074797820574326
EOS-4-02624,FC(F)c1cnc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)cn2)cn1,KUXFNALNCINRIK-UHFFFAOYSA-N,4,1,0.362,85,362,452.816,3.01,5,0.396,0.55,1.0,0.312512850387225,0.4206445754232061,0.4002809951339867,0.4142365156603386,0.38691873415118905
EOS-4-02625,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cocn5)c4)n23)ccn1,HVECLYMNZZQEKE-UHFFFAOYSA-N,4,1,0.59,11,595,420.379,3.741,5,0.387,0.65,1.0,0.9350455760400247,0.8217137276403262,0.80010794325269,0.7719056267562195,0.8321932184223151
EOS-4-02626,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Cl,NGWQLCTXXFNSDZ-UHFFFAOYSA-N,4,1,0.64,90,400,411.252,3.986,4,0.494,0.79,1.0,0.9878863683092317,0.989377013227332,0.787111918305805,0.8586286066753478,0.905750976629429
EOS-4-02627,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)nn2)nc1,OHLKXFMTJAETQQ-UHFFFAOYSA-N,4,1,0.384,54,251,452.812,4.071,5,0.402,0.64,0.967,0.7649921184291687,0.7193218422315126,0.589952710575012,0.6375762456308683,0.6779607292166404
EOS-4-02628,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)ncc1F,OVYGGCYNQDBAQA-UHFFFAOYSA-N,4,1,0.566,73,71,465.851,4.462,5,0.378,0.7,1.0,0.877835652114317,0.897154067575903,0.7594578849976013,0.7646494414365019,0.8247742615310808
EOS-4-02629,Fc1cccc(Cl)c1Oc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,BGVWZZWEGILKLJ-UHFFFAOYSA-N,4,1,0.481,13,110,424.848,4.895,5,0.408,0.81,1.0,0.7170259063806456,0.809985607566308,0.7667140703173189,0.79969673086149,0.7733555787814406
EOS-4-02630,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4Cl)n23)cc1C#N,YNGPOHOLMYCVLL-UHFFFAOYSA-N,4,1,0.443,13,724,480.29,5.302,5,0.347,0.66,1.0,0.8044856418340073,0.7641011582482352,0.9568398327736276,0.9580049345486944,0.8708578918511412
EOS-4-02631,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nn1,DWZOPAMOFBHDBJ-UHFFFAOYSA-N,4,1,0.314,85,60,450.388,2.67,5,0.398,0.62,0.992,0.25364094304708384,0.3495305325200466,0.2891936810362552,0.29999657323007334,0.29809043245836475
EOS-4-02632,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ncccn1,SOSGJGZGSQADGS-UHFFFAOYSA-N,4,1,0.62,35,509,413.416,3.404,5,0.421,0.7,1.0,0.9537214721403605,0.9353454184086081,0.5341134946199713,0.5153262284970187,0.7346266534164896
EOS-4-02633,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)c(F)c4)n23)ccn1,NQYMMCVJSDUOIW-UHFFFAOYSA-N,4,1,0.595,11,595,420.379,3.741,5,0.387,0.65,1.0,0.9294856418340073,0.789844767322322,0.7977606058529231,0.7670224796107189,0.8210283736549928
EOS-4-02634,COc1cc(-c2nnc3cncc(Oc4cccc(F)c4F)n23)ccc1-c1cncs1,XERMAFLYIDTNHG-UHFFFAOYSA-N,4,1,0.488,13,209,437.431,4.994,5,0.386,0.71,1.0,0.8446388184497293,0.8021897059831403,0.8990987595092865,0.844801590021246,0.8476822184908506
EOS-4-02636,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5F)nc4Cl)n23)n1,IMGPQFCVVUPUIK-UHFFFAOYSA-N,4,1,0.484,58,143,466.839,3.591,5,0.276,0.59,1.0,0.8201631142485094,0.889520937564252,0.5407785621273388,0.5743266397094099,0.7061973134123776
EOS-4-02637,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)cc1F,JOMYSPNJOYYSGK-UHFFFAOYSA-N,4,1,0.646,23,721,443.841,3.704,4,0.491,0.85,1.0,0.8961603042971695,0.7193304091563293,0.8669385237475156,0.8428483311630457,0.8313193920910149
EOS-4-02638,Fc1cc(-c2c[nH]cn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,UANQWIAATIWXKL-UHFFFAOYSA-N,4,1,0.539,37,0,419.395,3.476,5,0.424,0.69,1.0,0.8582173942841478,0.7685645260777192,0.7381776437529984,0.722585840586663,0.7718863511753821
EOS-4-02639,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,XDDKEMOWHPHIFG-UHFFFAOYSA-N,4,1,0.523,58,262,448.849,3.452,5,0.364,0.69,1.0,0.9229319443492564,0.9201905284079227,0.43651052018367487,0.47097525872112944,0.6876520629154959
EOS-4-02640,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncccn1,GLHCKMMBVGSLME-UHFFFAOYSA-N,4,1,0.625,35,509,413.416,3.404,5,0.421,0.73,1.0,0.9482557741073264,0.9292543348639573,0.5375059968473717,0.5117795216229183,0.7316989068603934
EOS-4-02641,COc1c(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc(F)c1-c1ccccn1,GAITUCOIDGUXLQ-UHFFFAOYSA-N,4,1,0.495,4,702,471.427,3.986,5,0.366,0.65,0.999,0.8378195462956617,0.7727708861627031,0.7667226372421355,0.6809848536769242,0.7645744808443562
EOS-4-02642,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccc2F)ncn1,CJUHCUXPUZIUSQ-UHFFFAOYSA-N,4,1,0.467,4,799,452.812,3.549,5,0.373,0.67,1.0,0.8201716811733261,0.8923908573778356,0.7357360701802481,0.7646580083613186,0.803239154273182
EOS-4-02643,Fc1nc(-c2cnco2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3Cl)n12,ZIHHIHVTTLFAMB-UHFFFAOYSA-N,4,1,0.529,35,143,455.812,3.789,5,0.356,0.66,1.0,0.8280960866287438,0.8328764306764443,0.707165375916661,0.714772805153862,0.7707276745939278
EOS-4-02644,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)c(F)c1F,LCTBQXKJBUVUDJ-UHFFFAOYSA-N,4,1,0.376,68,364,445.38,2.922,4,0.475,0.6,1.0,0.330100747035844,0.4295284764580906,0.7594664519224179,0.555008224247824,0.5185259749160441
EOS-4-02645,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)ccn1,XAVXIYBNVUZVKM-UHFFFAOYSA-N,4,1,0.595,35,352,412.428,4.009,5,0.392,0.8,1.0,0.9508515523267768,0.9535929682681105,0.7642981975190186,0.7414330751833322,0.8525439483243096
EOS-4-02647,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(F)c2)ncn1,CCRLNXKQJXXZQA-UHFFFAOYSA-N,4,1,0.5,37,795,432.394,2.938,5,0.377,0.68,1.0,0.8328507299019944,0.8466606127064629,0.4752758549790967,0.4768179014460969,0.6579012747584128
EOS-4-02648,Fc1ncncc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)cc3Cl)n12,HRAGSLFJEWHRNZ-UHFFFAOYSA-N,4,1,0.539,37,386,448.849,3.452,5,0.364,0.66,1.0,0.9057381262422041,0.9201990953327394,0.5804177232540607,0.6257624563086834,0.758029350284422
EOS-4-02649,Fc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ncccn1,XOGOQNJDBSDBRJ-UHFFFAOYSA-N,4,1,0.636,35,393,413.416,3.404,5,0.421,0.73,1.0,0.9267699266671235,0.9353539853334247,0.5640977314783086,0.5384397916523884,0.7411653587828113
EOS-4-02650,N#Cc1cc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCc3cnc(F)cn3)n12,GXKHZNYHHOHFEC-UHFFFAOYSA-N,4,1,0.451,73,82,459.832,3.281,5,0.388,0.66,1.0,0.8470461243232129,0.8815622644095675,0.6178637516277157,0.6229439380439997,0.7423540196011239
EOS-4-02651,Fc1ccnc(-c2ncncc2-c2nnc3cncc(-c4ccc(C(F)F)nn4)n23)c1,WGEGKXRNLPGBOP-UHFFFAOYSA-N,4,1,0.295,50,243,421.346,3.177,5,0.435,0.65,0.985,0.27467274347200327,0.4161983414433555,0.6238520320745665,0.6405318346926188,0.488813737920636
EOS-4-02652,Fc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ncccn1,OYPGVKGMSSLQQC-UHFFFAOYSA-N,4,1,0.641,35,393,413.416,3.404,5,0.421,0.76,1.0,0.9382153382221917,0.9257161949146734,0.5709170036323761,0.5352614625454047,0.7425274998286615
EOS-4-02654,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)nc1,YPPDRCZJRZWLTP-UHFFFAOYSA-N,4,1,0.305,39,114,466.415,3.441,6,0.385,0.63,0.977,0.2668768418888356,0.37833253375368375,0.38557158522376805,0.44588273593310945,0.3691659241998492
EOS-4-02655,Fc1cnc(-c2ccc(-c3nnc4cncc(COc5cccnc5)n34)c(F)n2)nc1,BBWLEEQNJDVXNA-UHFFFAOYSA-N,4,1,0.37,73,767,418.367,2.896,5,0.402,0.78,1.0,0.6591306284696046,0.6185062709889658,0.42172400795010623,0.42371153450757315,0.5307681104790625
EOS-4-02656,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnsn5)nc4F)n23)c1F,BNLAZZCXAJSQRP-UHFFFAOYSA-N,4,1,0.494,59,910,441.398,3.701,5,0.384,0.57,0.999,0.8302720855321774,0.7898533342471387,0.7643067644438353,0.7814320471523541,0.7914660578438764
EOS-4-02657,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nc2cnccc2o1,SIJFKVONJPSFES-UHFFFAOYSA-N,4,1,0.556,35,234,453.437,4.15,6,0.37,0.7,1.0,0.9318244123089576,0.8842865465012679,0.5804262901788774,0.564628880816942,0.7402915324515112
EOS-4-02658,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)c(Cl)c4)n23)cc1F,MQWSBZZFTFTDCG-UHFFFAOYSA-N,4,1,0.4,0,188,473.842,4.744,5,0.437,0.93,1.0,0.707936399150161,0.8948152971009526,0.9036306627373039,0.9334863957233911,0.8599671886779522
EOS-4-02659,N#Cc1cc(F)cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)c1,SCIZTZZJFTVKKO-UHFFFAOYSA-N,4,1,0.551,35,201,437.438,3.881,5,0.397,0.76,1.0,0.9419419505174422,0.9493180727845932,0.8123072441916249,0.793014529504489,0.8741454492495373
EOS-4-02660,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cc(F)cc(C(F)(F)F)c4)n23)cn1,MJOWDVPSKVLXLZ-UHFFFAOYSA-N,4,1,0.33,66,688,442.376,3.903,5,0.485,0.84,1.0,0.332499485984511,0.42065314234802276,0.9002552943595367,0.8897094099102186,0.6357793331505722
EOS-4-02661,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)O)c(F)c4F)n23)cc1F,OOIILZAZWIUXSH-UHFFFAOYSA-N,4,1,0.364,23,129,413.315,2.673,4,0.53,0.8,1.0,0.337348365430745,0.26428106366938525,0.8534970187101638,0.7792389143992873,0.5585913405523953
EOS-4-02662,CC(c1ncc(Cc2cncc3nnc(-c4ccc(F)cn4)n23)cn1)C1CCC(F)(F)C1,NPKWGQKIJRPVRW-UHFFFAOYSA-N,4,1,0.333,78,364,439.445,4.245,5,0.463,0.56,0.584,0.3175073675553423,0.34481015694606265,0.5100404358851347,0.6171269960934823,0.44737123912000554
EOS-4-02663,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)c(F)c2)nc1,JBKOYNSKDRMBMO-UHFFFAOYSA-N,4,1,0.58,35,325,436.447,4.21,5,0.397,0.69,1.0,0.9350541429648414,0.8971626345007196,0.6670036323761223,0.6605527379891714,0.7899432869577137
EOS-4-02664,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccccc4F)n23)c(F)c1F,WYKBBFYXECOYDR-UHFFFAOYSA-N,4,1,0.679,23,133,427.386,3.19,4,0.511,0.79,1.0,0.7561510520183675,0.6087828113220478,0.8437564251936125,0.7884055239531218,0.7492739531217874
EOS-4-02665,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)nc1,XNWDQLUGQVUXDB-UHFFFAOYSA-N,4,1,0.649,59,294,431.406,3.809,5,0.418,0.73,1.0,0.8907974093619354,0.8764049756699335,0.7228000137070797,0.6780635323144404,0.7920164827633472
EOS-4-02666,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(F)c4OC)n23)c(Cl)c1F,PCISKKZKWMUJRI-UHFFFAOYSA-N,4,1,0.343,23,129,429.814,3.758,4,0.534,0.79,0.999,0.5930025358097457,0.6227554656980331,0.8695171681173326,0.822878829415393,0.7270384997601261
EOS-4-02667,Cc1nc(C(F)(F)F)ncc1-c1ncc(-c2nnc3cncc(OCCc4ccncc4F)n23)o1,OIZZJCVZKDXOOK-UHFFFAOYSA-N,4,1,0.495,65,904,486.389,3.719,5,0.331,0.61,1.0,0.7791446782263038,0.7332859296826811,0.6780121307655405,0.49516825440339934,0.6714027482694812
EOS-4-02668,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cc2F)nc1,XRBMTFJWWPCZBU-UHFFFAOYSA-N,4,1,0.529,73,795,432.394,2.938,5,0.403,0.73,1.0,0.9306421766842574,0.9064834487012542,0.37826399835515045,0.39837057089986977,0.653440048660133
EOS-4-02669,FCc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cn2)ncn1,QHLVXNYIGUXJOA-UHFFFAOYSA-N,4,1,0.438,24,354,450.384,3.365,5,0.363,0.56,1.0,0.6439757384689192,0.7685730930025358,0.6294119662805839,0.5899098759509287,0.657967668425742
EOS-4-02670,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)c1,PDQLRJAKDMWPLU-UHFFFAOYSA-N,4,1,0.59,34,6,424.346,2.968,5,0.462,0.75,1.0,0.9103985333424713,0.8790949900623672,0.8323367144129943,0.8483739976697965,0.8675510588719074
EOS-4-02671,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cc[nH]n4)c(F)c3)n12,NIZMEIIDHIXTAS-UHFFFAOYSA-N,4,1,0.679,91,273,418.407,4.081,5,0.449,0.64,1.0,0.9622883969570283,0.9238486053046399,0.8695257350421493,0.8683349324926325,0.9059994174491124
EOS-4-02672,Fc1cc(F)c(Oc2cncc3nnc(-c4cc(-c5cscn5)ncn4)n23)c(Cl)c1,UOTSGAXEULLNNH-UHFFFAOYSA-N,4,1,0.36,44,971,443.826,4.429,5,0.406,0.67,1.0,0.6211448838324994,0.6321790829963676,0.7551487218148174,0.7930230964293057,0.7003739462682476
EOS-4-02673,Cn1cncc1-c1ccc(-c2nnc3cncc(CNCc4ccc(F)c(Cl)c4)n23)cc1F,ZTCVGCHNYDUYCA-UHFFFAOYSA-N,4,1,0.4,14,291,465.895,4.413,5,0.402,0.74,1.0,0.41875985196353915,0.5056284696045508,0.9124802960729217,0.9130285792611884,0.68747429922555
EOS-4-02674,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cc1F,JDKBFOLBWSZDPW-UHFFFAOYSA-N,4,1,0.766,23,721,460.296,4.218,4,0.466,0.88,1.0,0.8908059762867521,0.70071448152971,0.8801487218148174,0.8744517168117333,0.8365302241107532
EOS-4-02675,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(F)c1,QWQBGQSFAWXTHJ-UHFFFAOYSA-N,4,1,0.763,23,406,443.841,3.704,4,0.491,0.8,1.0,0.8494191624974299,0.7240250839558632,0.8788294153930505,0.8448101569460627,0.8242709546981016
EOS-4-02676,N#Cc1nc(COc2cncc3nnc(-c4cc(-c5ccc(F)cn5)ccn4)n23)ccc1F,KUZPQWWUUJYEGG-UHFFFAOYSA-N,4,1,0.426,46,267,442.389,3.372,5,0.407,0.62,1.0,0.6322904530189843,0.5946730861489959,0.720289904735796,0.6954201219930094,0.6606683914741964
EOS-4-02677,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1Cl,AYDWROZZPFDRPC-UHFFFAOYSA-N,4,1,0.667,23,385,404.232,4.254,4,0.466,0.81,1.0,0.9902594064834487,0.9921783976423822,0.8669470906723322,0.9195565759714893,0.9422353676924131
EOS-4-02678,Clc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)nc3Cl)n12,LQZNPIPVJHGRFJ-UHFFFAOYSA-N,4,1,0.56,35,143,464.316,4.572,5,0.34,0.75,1.0,0.7791532451511205,0.8560071276814475,0.6916849427729422,0.7619765608937016,0.7722054691248029
EOS-4-02679,Fc1ccnc(F)c1COc1cncc2nnc(-c3cnc(F)c(-c4cscn4)c3)n12,HSVYZZNNJQHSKR-UHFFFAOYSA-N,4,1,0.433,55,422,441.398,3.701,5,0.384,0.69,1.0,0.762122198615585,0.7102580357754781,0.7690528407922692,0.7516619834144336,0.7482737646494415
EOS-4-02680,COc1cc(-c2nnc3cncc(CNCc4cc(F)cc(F)c4F)n23)ccc1-c1ncco1,HQPAQMXUKXKPSM-UHFFFAOYSA-N,4,1,0.361,14,291,466.423,4.162,5,0.36,0.75,1.0,0.6654787197587554,0.6227640326228497,0.8815022959358508,0.8128640943047084,0.7456522856555411
EOS-4-02681,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncco4)c(F)c3)n12,QKKRKCKXTDEVKN-UHFFFAOYSA-N,4,1,0.571,35,161,420.379,3.741,5,0.413,0.61,1.0,0.9057466931670207,0.7513364402714002,0.7643153313686519,0.7334658351038311,0.788716074977726
EOS-4-02682,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cnccn4)n3)n12,PXHMOMNYKPCBJP-UHFFFAOYSA-N,4,1,0.462,18,324,432.394,2.938,5,0.403,0.58,1.0,0.7532554314303338,0.6907511479679255,0.48604447947364815,0.495176821328216,0.6063069700500309
EOS-4-02683,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(F)c2)nc1,ZTYUOVZBGFLKRD-UHFFFAOYSA-N,4,1,0.536,73,795,432.394,2.938,5,0.403,0.76,1.0,0.892510794325269,0.9015231992324035,0.37438318141319993,0.392330888904119,0.6401870159687478
EOS-4-02684,OCc1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1ccccn1,DZDAPCAOXIBOBX-UHFFFAOYSA-N,4,1,0.465,11,490,476.899,4.155,5,0.376,0.6,0.999,0.7904958536083887,0.7979062435748064,0.7758978137207868,0.7792474813241039,0.7858868480570215
EOS-4-02685,Fc1nc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,BPPSRPSKMNQZLG-UHFFFAOYSA-N,4,1,0.512,58,698,439.357,3.275,5,0.371,0.57,1.0,0.7821088342128709,0.7380148721814818,0.635288876704818,0.5959666917963128,0.6878448187238709
EOS-4-02686,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4ccc(Cl)nc4)nn3)n12,GKHKDJWFTRHHOE-UHFFFAOYSA-N,4,1,0.407,54,564,469.267,4.063,5,0.355,0.65,0.999,0.7961414570625728,0.7426924131313823,0.7571276814474677,0.8210369405798095,0.779249623055308
EOS-4-02687,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1-c1cncn1C,FRJLVJKJNYWMBX-UHFFFAOYSA-N,4,1,0.506,59,607,466.423,4.197,5,0.349,0.72,1.0,0.8517236652731136,0.7470015763141663,0.9413422657802755,0.8842351449523679,0.8560756630799808
EOS-4-02688,COc1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1-c1cccnc1,WLBNRRQHDQRRRV-UHFFFAOYSA-N,4,1,0.5,97,103,428.427,3.975,5,0.404,0.74,1.0,0.9255191556438901,0.7979148104996231,0.8160766911109588,0.7173343156740456,0.8142112432321295
EOS-4-02689,CCOc1cnc(-c2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)nc1,FCNYHVZFESADKQ-UHFFFAOYSA-N,4,1,0.368,68,861,402.792,4.238,4,0.497,0.78,0.991,0.607129394832431,0.7855270372147214,0.8774587074223836,0.8551504351997807,0.7813163936673292
EOS-4-02690,Cn1cncc1-c1ccc(-c2nnc3cncc(CNCc4ccc(F)c(Cl)c4)n23)c(F)c1,FMAHMLDUEALAON-UHFFFAOYSA-N,4,1,0.373,45,291,465.895,4.413,5,0.402,0.71,1.0,0.39464395860461926,0.4822750325543143,0.907802755123021,0.909764580906038,0.6736215817969982
EOS-4-02691,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5ccncc5)c(F)c4)n23)s1,XIZYJYKKZZZDLK-UHFFFAOYSA-N,4,1,0.557,97,91,422.42,4.167,5,0.423,0.71,1.0,0.8517322321979303,0.7284541840860804,0.7713916112672196,0.7646665752861352,0.7790611507093413
EOS-4-02692,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)ccc1Cl,FGOLOKIJWLHOEY-UHFFFAOYSA-N,4,1,0.718,24,912,438.875,4.681,5,0.396,0.75,1.0,0.8834298540196012,0.8138835583578918,0.8287814406140772,0.8390189157699952,0.8412784421903914
EOS-4-02693,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)c(F)c3)n12,JRLZZOJCWSKIKF-UHFFFAOYSA-N,4,1,0.737,91,732,435.459,4.815,5,0.383,0.8,1.0,0.9482643410321431,0.9396117469673086,0.8306575971489274,0.8329963676238777,0.8878825131930641
EOS-4-02694,N#Cc1cc(CCOc2cncc3nnc(-c4cnc(Cl)nc4)n23)ccc1Cl,IAABLRVMNYHVQC-UHFFFAOYSA-N,4,1,0.62,90,811,412.24,3.381,4,0.463,0.71,1.0,0.8925193612500857,0.927609485299157,0.8058392159550408,0.8369028853402782,0.8657177369611404
EOS-4-02695,Cc1nc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)ccc1-c1ccccc1F,XKGFAUVAFWNCDS-UHFFFAOYSA-N,4,1,0.429,44,616,446.873,4.928,5,0.356,0.77,1.0,0.832859296826811,0.802198272907957,0.8250034267699267,0.835026728805428,0.8237719313275307
EOS-4-02696,Fc1cc(-c2ccc(Cl)nn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,YAQBYYPWXVIEEN-UHFFFAOYSA-N,4,1,0.488,72,208,469.267,4.063,5,0.38,0.71,1.0,0.8328678637516277,0.9039647728051539,0.6808049482557741,0.7619851278185182,0.7949056781577685
EOS-4-02698,Cc1cc(Oc2cncc3nnc(-c4ccc(-c5nccs5)cc4F)n23)ccc1F,XCMUTKYHYWIQRV-UHFFFAOYSA-N,4,1,0.511,13,15,421.432,5.294,5,0.394,0.75,1.0,0.7988486053046399,0.8217222945651429,0.887456308683435,0.8701939551778494,0.8445552909327667
EOS-4-02699,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)nc4)n23)cn1,JNZLJRVIOJPUJE-UHFFFAOYSA-N,4,1,0.357,85,976,449.4,3.275,5,0.402,0.53,0.985,0.34904221780549655,0.44742478240010963,0.5709255705571928,0.4237201014323898,0.4477781680487972
EOS-4-02700,COc1cc(-c2nnc3cncc(OC4Cc5cnccc5O4)n23)ccc1-c1ncc(F)cc1F,QAQMUPUEOYUCDB-UHFFFAOYSA-N,4,1,0.385,35,777,474.427,3.875,6,0.379,0.45,1.0,0.9025255294359537,0.7812864094304708,0.8838667671852511,0.8017613597423069,0.8423600164484957
EOS-4-02701,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cn4)n23)ccnc1Cl,TUXBSRFIWPQWMT-UHFFFAOYSA-N,4,1,0.457,18,324,448.849,3.452,5,0.364,0.61,1.0,0.8123672126653416,0.8466691796312795,0.5743609074086766,0.5838273593310945,0.7043061647590981
EOS-4-02702,Oc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccsc1,JELIAUQQUSEHAD-UHFFFAOYSA-N,4,1,0.537,35,352,433.468,4.381,5,0.4,0.65,1.0,0.8908145432115687,0.8022068398327736,0.7202984716606127,0.6809934206017408,0.773578318826674
EOS-4-02703,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(OC(F)F)nc4)n23)cc1F,NHEUASPKYJELCR-UHFFFAOYSA-N,4,1,0.43,66,225,428.374,2.877,4,0.508,0.9,1.0,0.5254523336303201,0.6565605510246042,0.8250119936947433,0.7093242409704612,0.6790872798300323
EOS-4-02704,N#Cc1ccnc(Oc2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)c(Cl)c2)n1,PZJRJGUCRHIUHI-UHFFFAOYSA-N,4,1,0.33,96,648,486.854,3.804,5,0.394,0.72,1.0,0.6156534850250154,0.5992563909259132,0.7571362483722843,0.7173428825988624,0.6723472517305189
EOS-4-02705,Fc1ncc(F)c(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)n1,YCNYLIUVDSDSKO-UHFFFAOYSA-N,4,1,0.473,2,422,418.367,2.896,5,0.402,0.63,1.0,0.665487286683572,0.6087913782468645,0.4860530463984648,0.47098382564594615,0.5578288842437119
EOS-4-02706,Fc1ccc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1-c1cccnn1,LDGYPVQZVYCKKD-UHFFFAOYSA-N,4,1,0.341,85,476,449.4,3.727,5,0.418,0.62,0.044,0.1518744431498869,0.19010862860667535,0.6178723185525323,0.5421321362483723,0.37549688163936673
EOS-4-02707,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cc2Cl)nc1,DJLIOQHJPPCSIO-UHFFFAOYSA-N,4,1,0.529,73,795,448.849,3.452,5,0.389,0.69,1.0,0.9371444726201082,0.9449832088273593,0.3782725652799671,0.4458913028579261,0.6765728873963401
EOS-4-02709,Fc1cc(-c2nccs2)cc(F)c1-c1nnc2cncc(Cc3cnc(Cl)nn3)n12,YXICJNWFPIPAHA-UHFFFAOYSA-N,4,1,0.348,85,81,442.842,3.622,5,0.419,0.6,1.0,0.3125214173120417,0.44281577684874235,0.4365190871084915,0.5646374477417586,0.4391234322527585
EOS-4-02710,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)OC)c(F)c4)n23)c(F)c1Cl,ZMZMPIPHJUJPQB-UHFFFAOYSA-N,4,1,0.341,0,129,457.824,3.536,4,0.471,0.79,1.0,0.48004763210198065,0.4869868412034816,0.7977691727777397,0.712091357686245,0.6192237509423618
EOS-4-02711,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)ccn1,SOROCSRJQKZKCY-UHFFFAOYSA-N,4,1,0.388,14,189,422.42,4.167,5,0.396,0.69,1.0,0.535612706462888,0.6468370913576863,0.8038945240216572,0.7860410527037215,0.6930963436364882
EOS-4-02712,Cc1coc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)n1,SKFFMAURXVJBHX-UHFFFAOYSA-N,4,1,0.608,57,709,419.391,4.612,5,0.414,0.82,1.0,0.9306507436090741,0.8138921252827085,0.8595109999314646,0.8268367486806936,0.8577226543759852
EOS-4-02713,NC(=O)c1ccc(-c2nnc3cncc(CNc4cc(OC(F)F)ncn4)n23)cc1F,NBFHAJQNDXYTCV-UHFFFAOYSA-N,4,1,0.393,66,225,430.35,2.033,4,0.455,0.8,1.0,0.4346429305736413,0.44743334932492634,0.6059471592077308,0.452239394147077,0.4850657083133439
EOS-4-02714,COC(=O)Cc1cc(-c2nnc3cncc(Cc4cnc(C(F)F)cn4)n23)ccc1C#N,DENGEWVUKVZSNT-UHFFFAOYSA-N,4,1,0.381,66,455,435.394,2.697,4,0.424,0.58,0.987,0.38815879651840174,0.38774758412720167,0.6208621753135495,0.46789973271194574,0.46616707216777464
EOS-4-02715,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4Cl)n23)c1,IJXVOYRQCMGANX-UHFFFAOYSA-N,4,1,0.552,37,832,455.812,3.789,5,0.356,0.66,1.0,0.8717360016448495,0.8649252964155987,0.7408333904461655,0.764675142210952,0.8105424576793914
EOS-4-02716,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cscn1,GRACAUAFAMOJPI-UHFFFAOYSA-N,4,1,0.667,43,383,451.458,4.781,5,0.37,0.76,1.0,0.9707610856007127,0.8971712014255363,0.9036392296621205,0.8448187238708793,0.9040975601398122
EOS-4-02717,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4ncccn4)n3)n12,XMGTYCBTXGVKPS-UHFFFAOYSA-N,4,1,0.462,18,262,432.394,2.938,5,0.403,0.63,1.0,0.7849102186279213,0.6954800904667261,0.3892382290453019,0.41424508258515524,0.5709684051812762
EOS-4-02718,N#Cc1ncc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5ccsc5)c4)n23)n1,PUZWKCSSISTCBC-UHFFFAOYSA-N,4,1,0.462,73,253,447.43,4.039,5,0.401,0.71,1.0,0.814834487012542,0.8177044068261257,0.7332687958330477,0.7414416421081489,0.7768123329449661
EOS-4-02719,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1cccnc1,DMYRJDIFDXJOLJ-UHFFFAOYSA-N,4,1,0.523,97,390,433.834,4.015,5,0.386,0.7,1.0,0.7079449660749777,0.8948238640257693,0.6942635871427593,0.7252844219039134,0.7555792097868549
EOS-4-02720,COc1ccc(Cl)cc1-c1nnc2cncc(OCc3cc(F)cc(-c4ccncc4)n3)n12,TVWCTTSSCQKGPK-UHFFFAOYSA-N,4,1,0.494,97,71,462.872,4.628,5,0.363,0.77,1.0,0.6530309780001371,0.6321876499211843,0.8140977314783086,0.7792560482489206,0.7196431019121377
EOS-4-02721,Fc1ccc(COc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nc1-c1ccsc1,CMYSRTYFUSGABU-UHFFFAOYSA-N,4,1,0.512,27,69,454.437,4.966,5,0.361,0.73,0.996,0.7047409361935439,0.7979233774244398,0.8669556575971489,0.8170447536152423,0.7966661812075937
EOS-4-02723,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1Cl,MRIBGCDLNGJYSH-UHFFFAOYSA-N,4,1,0.55,24,912,438.875,4.681,5,0.396,0.73,1.0,0.7988571722294565,0.747010143238983,0.8177044068261257,0.8350352957302447,0.7996517545062024
EOS-4-02724,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cocn5)c(F)c4)n23)ccc1F,YRIXSTLUOPQLGK-UHFFFAOYSA-N,4,1,0.547,4,702,431.362,3.57,5,0.415,0.71,1.0,0.8254660407100267,0.7937684188883558,0.8213624837228428,0.7792646151737372,0.8049653896237406
EOS-4-02725,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ccsc1,WNKIHGUTQTYFFY-UHFFFAOYSA-N,4,1,0.6,97,103,432.48,5.247,5,0.367,0.7,1.0,0.9577222260297443,0.8592197244876979,0.8907374408882187,0.8428568980878623,0.8876340723733809
EOS-4-02726,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,PANKZEOWCYCVEF-UHFFFAOYSA-N,4,1,0.468,58,28,465.851,4.196,5,0.347,0.59,1.0,0.8778442190391337,0.9064920156260708,0.6590192584469878,0.7120999246110616,0.7888638544308135
EOS-4-02728,Fc1ccccc1Cc1nnc2cncc(OCc3ccc(-c4ccccn4)nc3)n12,LLYJOVXUFWVLRP-UHFFFAOYSA-N,4,1,0.362,24,805,412.428,3.89,5,0.421,0.83,0.996,0.38355835789185116,0.21841374820094578,0.6385871427592351,0.6229525049688164,0.4658779384552121
EOS-4-02729,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1F,MYRMMASRLSFVFC-UHFFFAOYSA-N,4,1,0.524,97,666,422.42,4.167,5,0.423,0.57,1.0,0.8778527859639503,0.7598605304639846,0.8373312315811117,0.8105338907545747,0.8213946096909053
EOS-4-02730,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,SDBHBDMGLCTENU-UHFFFAOYSA-N,4,1,0.645,91,660,435.459,4.815,5,0.383,0.71,1.0,0.9294942087588239,0.9368103625522582,0.8695343019669659,0.8635117538208484,0.8998376567747242
EOS-4-02731,COC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1,GKBBOCAOOLWKSP-UHFFFAOYSA-N,4,1,0.357,0,188,453.424,4.185,5,0.474,0.86,1.0,0.4487783565211432,0.5900212459735453,0.9469621684600096,0.9319357823315743,0.7294243883215681
EOS-4-02732,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4cncs4)cc3F)n12,HNMYRNSHSLGFLC-UHFFFAOYSA-N,4,1,0.506,97,91,422.42,4.167,5,0.423,0.72,1.0,0.8281046535535604,0.8177129737509423,0.8452556370365294,0.8309488725926941,0.8305055342334315
EOS-4-02733,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncc6ccccc6n5)cc4)n23)ccn1,NHKIAJUBCDDCOO-UHFFFAOYSA-N,4,1,0.547,77,891,463.476,4.557,6,0.335,0.8,1.0,0.97508738263313,0.9505003084092934,0.6562178740319375,0.637584812555685,0.8048475944075114
EOS-4-02734,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,HANMQLJFRVDIKH-UHFFFAOYSA-N,4,1,0.566,11,749,454.437,4.349,5,0.355,0.59,1.0,0.8558871907340141,0.8923994243026523,0.7806438900692207,0.7906586251799054,0.829897282571448
EOS-4-02735,N#Cc1ccccc1COc1cncc2nnc(-c3ccc(F)c(-c4nccs4)c3)n12,IHTPWXMFJYSQNP-UHFFFAOYSA-N,4,1,0.536,1,709,428.452,4.505,5,0.409,0.79,1.0,0.9057552600918375,0.8791035569871839,0.8389846480707285,0.82481495442396,0.8621646048934275
EOS-4-02736,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(OC(F)F)c5)n34)cc2)cn1,KAHNEOJZXWWUOL-UHFFFAOYSA-N,4,1,0.65,1,322,462.46,4.855,5,0.328,0.73,1.0,0.5254609005551367,0.6808135151805907,0.889675142210952,0.817053320540059,0.7282507196216846
EOS-4-02737,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4F)n23)cc1F,QGADKNAXNBKGJD-UHFFFAOYSA-N,4,1,0.484,83,504,488.429,4.227,5,0.384,0.83,1.0,0.3510982797614968,0.45612877801384416,0.8762936056473168,0.8409807415530122,0.6311253512439174
EOS-4-02738,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)c(F)c4)n23)ncc1Cl,ACNJYYUZSVBYPS-UHFFFAOYSA-N,4,1,0.539,11,490,454.824,4.394,5,0.375,0.63,1.0,0.9382239051470084,0.8815708313343842,0.8579603865396477,0.8683434994174491,0.8865246556096223
EOS-4-02739,Fc1nc(Cl)ccc1-c1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ncn1,VAUORYZPJKQUBD-UHFFFAOYSA-N,4,1,0.446,18,194,448.849,3.452,5,0.364,0.65,1.0,0.8201802480981427,0.7284627510108971,0.5205606195600028,0.5482917551915565,0.6543738434651498
EOS-4-02740,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4F)n23)ccc1F,HKHWTTMUAVNVIP-UHFFFAOYSA-N,4,1,0.473,4,338,449.396,3.948,5,0.375,0.67,1.0,0.6382701665410184,0.8139006922075251,0.7783051195942704,0.7334744020286478,0.7409875950928655
EOS-4-02741,Fc1ccc(F)c(CNCc2cncc3nnc(-c4ccc(-c5nncs5)c(F)c4)n23)c1,SVGRYJZZVKKGBH-UHFFFAOYSA-N,4,1,0.388,34,291,453.453,4.017,5,0.418,0.75,1.0,0.3420773079295456,0.4964104585018162,0.8213710506476595,0.844827290795696,0.6261715269686793
EOS-4-02742,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccnc(F)c5)cnn4)n23)ccc1Cl,BNKSZKUPAWPWCK-UHFFFAOYSA-N,4,1,0.467,4,534,458.844,3.886,5,0.364,0.66,1.0,0.8201888150229594,0.9353625522582414,0.8708964430128161,0.8744602837365499,0.8752270235076416
EOS-4-02744,CC(F)(F)c1ncc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cn1,RJFJJORRGKMDKQ-UHFFFAOYSA-N,4,1,0.641,90,811,400.364,3.454,4,0.493,0.8,1.0,0.830280652456994,0.867855184702899,0.8039030909464738,0.6691539305051059,0.7927982146528683
EOS-4-02745,Cc1nnc(-c2ccc(-c3nnc4cncc(Cc5ccc(OC(F)F)cn5)n34)c(F)c2)s1,FVILHFRIVVGWNS-UHFFFAOYSA-N,4,1,0.38,14,476,469.452,4.345,5,0.365,0.64,1.0,0.5930111027345624,0.7193389760811459,0.7203070385854293,0.692695839901309,0.6813382393256117
EOS-4-02746,OCc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1Cl,KEQUBOMLQCSWBL-UHFFFAOYSA-N,4,1,0.6,90,636,399.813,3.093,4,0.501,0.75,0.997,0.9318329792337743,0.9411280926598589,0.8437649921184291,0.842865465012679,0.8898978822561854
EOS-4-02747,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4nccs4)nc3Cl)n12,SYVTXPCWSXDUCT-UHFFFAOYSA-N,4,1,0.494,59,332,473.32,5.335,5,0.321,0.68,1.0,0.8123757795901583,0.8649338633404153,0.7851757932972381,0.8586371736001644,0.830280652456994
EOS-4-02748,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(OCc5cccc(F)c5)ccn4)n23)cc1F,NZMOSGGMXGHEHS-UHFFFAOYSA-N,4,1,0.385,62,586,458.428,3.809,5,0.415,0.8,1.0,0.5672674936604757,0.5558220821054074,0.8357206497155781,0.7975378658076897,0.6890870228222877
EOS-4-02749,CC(OF)(c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nn1)C1CC1,NEGKGFNBLMWXIY-UHFFFAOYSA-N,4,1,0.369,78,455,442.405,3.426,5,0.429,0.51,0.699,0.2941710643547392,0.4516911109588102,0.29283462408333905,0.37967754094990064,0.3545935850866973
EOS-4-02750,Clc1cnccc1OCc1cncc2nnc(-c3ccc(-c4ncccc4Cl)nc3)n12,BUWHFXQMTMCPGU-UHFFFAOYSA-N,4,1,0.409,24,767,450.289,4.529,5,0.389,0.83,1.0,0.5588205057912412,0.5326142827770544,0.6970307038585429,0.769626824754986,0.639523079295456
EOS-4-02751,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,QZYMEODLLDVJJN-UHFFFAOYSA-N,4,1,0.531,24,910,438.875,4.681,5,0.396,0.77,1.0,0.8174216983071757,0.8432081420053458,0.8123158111164417,0.8248235213487767,0.8244422931944351
EOS-4-02752,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)c(F)c2)cn1,AUFVUABGPCYTEX-UHFFFAOYSA-N,4,1,0.44,73,526,438.373,2.978,5,0.389,0.7,1.0,0.615662051949832,0.6518401754506202,0.7046724007950106,0.6574857789048043,0.6574151017750667
EOS-4-02754,Cc1cnc(-c2cnc(Cc3cncc4nnc(-c5ccc(F)cc5F)n34)cn2)cn1,MEDWWMRAGAZQCP-UHFFFAOYSA-N,4,1,0.395,85,674,416.395,3.216,5,0.444,0.72,1.0,0.37667055033925023,0.5513758481255568,0.5100490028099514,0.5384483585772051,0.4941359399629909
EOS-4-02755,N#Cc1cc(-c2nnc3cncc(Cc4cnc(CN5CCCC5)nc4F)n23)ccc1Cl,WCQWCHVAGKLDHJ-UHFFFAOYSA-N,4,1,0.352,78,9,448.893,3.432,5,0.431,0.72,0.994,0.2237338085120965,0.3592197244876979,0.03491878555273799,0.2790076074292372,0.22421998149544237
EOS-4-02756,N#Cc1ccc(-c2nccc(-c3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)n2)cn1,YEBMRNLXHVFTCU-UHFFFAOYSA-N,4,1,0.353,82,155,419.383,3.193,5,0.436,0.62,1.0,0.3743574806387499,0.532622849701871,0.7891251456377218,0.7792731820985539,0.6188446645192242
EOS-4-02757,N#Cc1nc(COc2cncc3nnc(-c4cc(F)cc(-c5cocn5)c4)n23)ccc1F,ITSLYWNRIMFDRQ-UHFFFAOYSA-N,4,1,0.57,4,702,431.362,3.57,5,0.415,0.71,1.0,0.6986669864985265,0.6227725995476664,0.8141062984031252,0.7766517031046536,0.7280493968884929
EOS-4-02758,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-n5ncnn5)n4)n23)cc1,SZFFXHJVGIDZIS-UHFFFAOYSA-N,4,1,0.538,36,996,489.805,3.293,5,0.354,0.73,1.0,0.5149150161058187,0.7332944966074978,0.8058477828798575,0.7568107052292509,0.7027170002056061
EOS-4-02760,N#Cc1cc(F)cc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cc4)n23)c1,VUMQILBRGQUSGL-UHFFFAOYSA-N,4,1,0.392,3,558,411.375,4.065,5,0.444,0.7,1.0,0.407545747378521,0.555830649030224,0.9265043519978069,0.9334949626482077,0.70584392776369
EOS-4-02761,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6cnc(F)nc6)nc5)n34)nc2)ccn1,QTTVIRIJDWSWOR-UHFFFAOYSA-N,4,1,0.273,42,392,465.427,4.046,6,0.284,0.64,0.998,0.25611678431910084,0.38307861010211774,0.7253358234528133,0.7093328078952779,0.5184660064423274
EOS-4-02762,Cc1cnc(-c2cc(COc3cncc4nnc(-c5cc(F)cc(F)c5F)n34)ncn2)cn1,KBFYPRZWSKNGFC-UHFFFAOYSA-N,4,1,0.511,73,354,450.384,3.343,5,0.376,0.55,1.0,0.6530395449249538,0.7769601123980536,0.7123397985059283,0.6662668768418888,0.7021515831677061
EOS-4-02763,Fc1cc(-c2cncnc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,BAMKEMSHSHLCLD-UHFFFAOYSA-N,4,1,0.506,87,215,448.849,3.452,5,0.364,0.7,1.0,0.8517407991227469,0.9238571722294565,0.5743694743334933,0.5988109108354465,0.7371945891302858
EOS-4-02764,Fc1cc(F)c(F)c(CNCc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)c1,LHVSVDUALWQXKA-UHFFFAOYSA-N,4,1,0.371,14,291,453.453,4.017,5,0.391,0.65,1.0,0.3605047632101981,0.3877561510520184,0.8213796175724762,0.8170618874648756,0.5966756048248921
EOS-4-02765,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F,PABYEROJPXGJFP-UHFFFAOYSA-N,4,1,0.473,0,188,439.397,4.091,5,0.49,0.86,1.0,0.7412788705366322,0.897179768350353,0.8357292166403948,0.8651823041600987,0.8348425399218696
EOS-4-02766,Fc1nccc(CCOc2cncc3nnc(-c4cncnc4-c4ncccn4)n23)c1F,KVKUCVGWUIDKLZ-UHFFFAOYSA-N,4,1,0.484,65,262,433.382,2.333,5,0.372,0.67,1.0,0.7532639983551505,0.6518487423754369,0.31479165238845863,0.32176512918922623,0.5104173805770681
EOS-4-02767,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cc2F)cn1,UTQVUBIPPABVMR-UHFFFAOYSA-N,4,1,0.512,16,772,437.385,3.583,5,0.418,0.65,1.0,0.7443115619217325,0.6565691179494209,0.9124888629977383,0.8842437118771845,0.7994033136865191
EOS-4-02768,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)n1,ICVREMMZRNZCFC-UHFFFAOYSA-N,4,1,0.44,73,143,442.773,3.142,5,0.299,0.65,1.0,0.7170344733054622,0.7641097251730519,0.4789082311013639,0.5017305188129669,0.6154457370982113
EOS-4-02769,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)c(F)c1,XFUQWKGBEPBNDI-UHFFFAOYSA-N,4,1,0.488,13,145,407.405,4.985,5,0.42,0.78,1.0,0.7502827085189501,0.7148413405523953,0.8682235624700158,0.870202522102666,0.8008875334110068
EOS-4-02770,N#Cc1ncc(COc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)cc1F,OPEHOMHFGZTROY-UHFFFAOYSA-N,4,1,0.43,46,395,425.387,2.628,5,0.417,0.61,1.0,0.6624802960729217,0.5558392159550408,0.5607309300253581,0.4951853882530327,0.5685589575765883
EOS-4-02771,Fc1cc(Cc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nnc1Cl,VPAYVMYZJCEDLS-UHFFFAOYSA-N,4,1,0.349,85,81,418.823,3.422,5,0.441,0.68,1.0,0.4324155301213077,0.47360530463984646,0.547709204304023,0.6346035227194846,0.5220833904461655
EOS-4-02772,NC(=O)c1ccc(-c2nnc3cncc(CNc4cc(F)cc(F)c4F)n23)cc1F,VFWCSGXJJOODIP-UHFFFAOYSA-N,4,1,0.406,23,678,416.338,3.059,4,0.385,0.79,1.0,0.3718987732163663,0.41158076896717155,0.9106641080117881,0.8884329381125351,0.6456441470769653
EOS-4-02773,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccc(-c4ccsc4)nc3)n12,YHESLSXPLDIGGA-UHFFFAOYSA-N,4,1,0.471,55,879,422.42,4.167,5,0.396,0.69,1.0,0.8254746076348434,0.742700980056199,0.7667312041669523,0.7516705503392502,0.7716443355493112
EOS-4-02774,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1ccc(F)nn1,CQKDBYFJYIOVKP-UHFFFAOYSA-N,4,1,0.457,72,224,481.85,4.163,5,0.333,0.62,1.0,0.9255277225687067,0.8764135425947502,0.852049208416147,0.8017699266671235,0.8639401000616819
EOS-4-02775,COc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cnc5OC)n34)ccn2)cc1F,QRLHZCNLPLOVHH-UHFFFAOYSA-N,4,1,0.464,97,183,476.443,4.123,5,0.346,0.74,1.0,0.7763261599616201,0.6663525460900556,0.7953961346035228,0.6346120896443013,0.7181717325748749
EOS-4-02776,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)n4)n23)ccn1,OVNUXCUJRKQIDS-UHFFFAOYSA-N,4,1,0.451,18,324,432.394,2.938,5,0.377,0.59,1.0,0.784918785552738,0.7007230484545267,0.47891679802618053,0.4798505928311973,0.6111023062161607
EOS-4-02777,Fc1nc(-c2ncccn2)cc(-c2cncc3nnc(-c4ccsc4-c4ccc(F)c(F)c4)n23)n1,ZGZNSSTVPHSOET-UHFFFAOYSA-N,4,1,0.29,10,557,488.458,4.851,6,0.327,0.67,0.988,0.25900383798231785,0.3638886985127818,0.6754334863957234,0.727845932424097,0.5065429888287301
EOS-4-02778,Fc1c(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)ccnc1Cl,LIZAXCDJXWQTHE-UHFFFAOYSA-N,4,1,0.494,90,244,405.22,3.649,4,0.472,0.74,1.0,0.8228702624905764,0.8869080254951682,0.7667397710917689,0.8466006442327462,0.830779675827565
EOS-4-02779,OCc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1Cl,RTWTZGLTRAXCRB-UHFFFAOYSA-N,4,1,0.62,90,636,399.813,3.093,4,0.501,0.76,1.0,0.940142896305942,0.9482900418065932,0.8722757179082996,0.8651908710849153,0.9064748817764375
EOS-4-02780,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)cc1F,ZIVSNLGADOCBRG-UHFFFAOYSA-N,4,1,0.505,11,0,454.437,4.349,5,0.38,0.66,1.0,0.8558957576588307,0.8764221095195669,0.8389932149955452,0.8350438626550614,0.8515887362072511
EOS-4-02781,N#Cc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1Cl,PZDMHTIUFBHZBL-UHFFFAOYSA-N,4,1,0.549,90,281,430.23,3.52,4,0.477,0.73,1.0,0.9306593105338907,0.97547289424988,0.8141148653279419,0.8814423274621342,0.9004223493934617
EOS-4-02782,Fc1cnc(-c2ccc(-c3nnc4cncc(CCc5ccnc(Cl)n5)n34)cc2)nc1,MIDPXMYDMJSLHV-UHFFFAOYSA-N,4,1,0.42,85,856,432.85,3.616,5,0.391,0.77,1.0,0.5407528613528888,0.5745579466794599,0.3743917483380166,0.44263587142759236,0.4830846069494894
EOS-4-02783,Fc1cc(Cl)cnc1OCc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,PIGXYQYZFHSKLD-UHFFFAOYSA-N,4,1,0.364,55,540,434.822,3.41,5,0.414,0.74,1.0,0.6129120690836817,0.7056147625248441,0.5205691864848194,0.5251010897128366,0.5910492769515455
EOS-4-02784,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncc(Cl)cc5F)n34)ccn2)nc1,XNDACNFWMALDSC-UHFFFAOYSA-N,4,1,0.483,73,263,466.839,3.591,5,0.374,0.55,1.0,0.8925279281749023,0.8466777465560962,0.5174251250771024,0.5808375025700775,0.7093670755945446
EOS-4-02785,Fc1cc(-c2cncs2)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,MYHWTQQJUABSPV-UHFFFAOYSA-N,4,1,0.6,59,439,440.41,4.306,5,0.379,0.66,1.0,0.5254694674799534,0.6321962168460009,0.8682321293948324,0.8667243506270988,0.7231555410869714
EOS-4-02786,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nc4Cl)n23)c1F,JMCSZIHKZIFRPN-UHFFFAOYSA-N,4,1,0.489,58,271,466.839,3.591,5,0.35,0.59,0.997,0.8778613528887671,0.922015283393873,0.6385957096840518,0.6635254609005551,0.7754994517168117
EOS-4-02787,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ncccc5F)cc4F)n23)c(Cl)n1,CASVQOIBVWLBCP-UHFFFAOYSA-N,4,1,0.539,37,0,479.878,4.505,5,0.331,0.63,1.0,0.9362278116647248,0.944991775752176,0.6996264820779933,0.7387344938660818,0.829895140840244
EOS-4-02788,N#Cc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)c(F)c3)n12,UKZWVHJTAFJGED-UHFFFAOYSA-N,4,1,0.552,35,202,438.426,3.276,5,0.397,0.63,1.0,0.9473819477760264,0.9450003426769926,0.7851843602220547,0.7541977931601672,0.8579411109588102
EOS-4-02789,Fc1cnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cnccn5)c4)n23)nc1,OCGKENDZYCNNPR-UHFFFAOYSA-N,4,1,0.53,73,795,432.394,2.938,5,0.403,0.68,1.0,0.9202761976560894,0.8678637516277157,0.46155164142279487,0.48294325269001437,0.6831587108491536
EOS-4-02790,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)c(F)c1,KBARMGZLUTXHCK-UHFFFAOYSA-N,4,1,0.38,44,971,403.352,3.714,5,0.452,0.75,1.0,0.6129206360084984,0.5851123980535947,0.7071739428414776,0.7252929888287301,0.6576249914330752
EOS-4-02791,Fc1ccc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1-c1nncs1,RHOQXXXLYSUPFC-UHFFFAOYSA-N,4,1,0.524,73,772,441.398,3.701,5,0.411,0.69,1.0,0.8977880200123364,0.8432167089301624,0.8194434925639092,0.8189980124734425,0.8448615584949626
EOS-4-02792,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)cnn2)cc1F,OUOBQOAEQKKNDD-UHFFFAOYSA-N,4,1,0.44,73,756,452.812,3.549,5,0.373,0.51,1.0,0.7380405729559317,0.82548317455966,0.709718319512028,0.7670310465355356,0.7600682783907888
EOS-4-02793,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)n2)nc1,AHCAQBGZGFXCKX-UHFFFAOYSA-N,4,1,0.435,51,775,453.8,2.944,5,0.37,0.62,1.0,0.7650006853539854,0.8432252758549791,0.3293896922760606,0.3983791378246864,0.5839986978274279
EOS-4-02795,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cn2)nc1,VSCOXANRXSHZOS-UHFFFAOYSA-N,4,1,0.516,73,263,450.384,3.077,5,0.389,0.61,1.0,0.8629292029333151,0.9065005825508875,0.5375145637721883,0.5515728873963403,0.7146293091631828
EOS-4-02797,Fc1nccnc1COc1cncc2nnc(-c3ccc(OC(F)F)c(-c4cncs4)c3)n12,OUWNOWAYTMWWGA-UHFFFAOYSA-N,4,1,0.557,27,343,471.424,4.024,5,0.351,0.63,1.0,0.7380491398807484,0.8678723185525323,0.7871204852306216,0.7200500308409293,0.7782729936262079
EOS-4-02798,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ccc(Oc5ncccn5)cn4)n23)nc1,AXHJWDNMLAGKJZ-UHFFFAOYSA-N,4,1,0.274,94,892,464.424,3.427,6,0.374,0.67,1.0,0.49727571790829966,0.5144952367898019,0.30726132547460766,0.29383695428688916,0.40321730861489957
EOS-4-02799,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)n23)c(F)c1,QTJKPIWERMVTAO-UHFFFAOYSA-N,4,1,0.43,83,504,470.439,4.088,5,0.402,0.89,1.0,0.1934240285107258,0.3004591871701734,0.8079809471592078,0.7306815845384141,0.5081364368446303
EOS-4-02800,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1cccnn1,RGXJQYWGGOOJTH-UHFFFAOYSA-N,4,1,0.489,72,712,442.389,3.372,5,0.381,0.7,1.0,0.765009252278802,0.8022154067575903,0.8194520594887259,0.7975464327325064,0.7960557878144061
EOS-4-02802,N#Cc1cc(-c2nnc3cncc(OCc4ccc(COC(F)F)nc4)n23)ccc1-c1cccnn1,NUQSTWCXZKXKHI-UHFFFAOYSA-N,4,1,0.516,89,214,486.442,3.833,5,0.322,0.68,1.0,0.8148430539373587,0.6758104310876568,0.8874648756082517,0.8190065793982592,0.7992812350078815
EOS-4-02803,Fc1cc(F)c(F)c(CNCc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)c1,PEGRVFCCJXXRDI-UHFFFAOYSA-N,4,1,0.353,14,291,453.453,4.017,5,0.391,0.69,1.0,0.2511736686998835,0.35419950654513055,0.8535055856349805,0.8586457405249811,0.5793811253512439
EOS-4-02804,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1F,FJXJFMLTWQJUEA-UHFFFAOYSA-N,4,1,0.667,43,520,451.412,4.066,5,0.387,0.68,1.0,0.9148190665478719,0.894832430950586,0.8213881844972929,0.8150315262833253,0.861517802069769
EOS-4-02805,Cn1ccnc1-c1ccc(-c2nnc3cncc(OC4CCC(F)(F)C4)n23)cc1F,APNDAPDLPXXARF-UHFFFAOYSA-N,4,1,0.443,78,548,414.391,3.898,5,0.507,0.62,0.998,0.7961500239873894,0.7685816599273525,0.7506339524364334,0.8081865533548077,0.7808880474264958
EOS-4-02806,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)cnc1F,CGCPWNTUUUKNNT-UHFFFAOYSA-N,4,1,0.482,55,879,422.42,4.167,5,0.396,0.76,1.0,0.8352409019258447,0.7380234391062984,0.8001165101775067,0.7646837091357687,0.7845161400863545
EOS-4-02807,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)cn2)nc1,MODMLKYHOIVDQN-UHFFFAOYSA-N,4,1,0.506,55,109,431.406,3.809,5,0.418,0.75,1.0,0.8402097183195121,0.832884997601261,0.7021622918237269,0.6691624974299225,0.7611048762936057
EOS-4-02808,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1ccc(F)nn1,ARKCXVGKLVIFFJ-UHFFFAOYSA-N,4,1,0.473,72,224,465.395,3.648,5,0.351,0.67,1.0,0.7849273524775546,0.8099941744911247,0.8001250771023234,0.717351449523679,0.7780995133986705
EOS-4-02809,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncco5)c(Cl)c4)n23)nc1Cl,FIPNHQJIIJOIDD-UHFFFAOYSA-N,4,1,0.461,73,379,458.24,4.261,5,0.36,0.64,1.0,0.8993129326297032,0.8361661298060448,0.6562264409567542,0.7253015557535467,0.7792517647865121
EOS-4-02810,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4nccs4)c3)n12,OMHWLGCMXOYWSA-UHFFFAOYSA-N,4,1,0.727,88,732,435.459,4.815,5,0.383,0.83,1.0,0.9392776368994585,0.9396203138921253,0.8287900075388939,0.835052429579878,0.885685096977589
EOS-4-02811,Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4Cl)n23)c(Cl)n1,JVUIPCPBJGDOCV-UHFFFAOYSA-N,4,1,0.322,96,46,450.289,5.051,5,0.354,0.73,1.0,0.4257504626139401,0.4869954081282983,0.6887893221849085,0.7225944075114796,0.5810324001096566
EOS-4-02812,CNC(=O)CCc1ccc(-c2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cc1F,YFMBHLXDNYUVBN-UHFFFAOYSA-N,4,1,0.408,0,999,434.862,3.801,4,0.515,0.82,1.0,0.3835669248166678,0.5190271400178192,0.7977777397025564,0.8105424576793914,0.6277285655541087
EOS-4-02813,COc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1cncn1C,WTAFVNQODUJVPC-UHFFFAOYSA-N,4,1,0.46,13,724,468.851,4.924,5,0.364,0.69,1.0,0.8044942087588239,0.6907597148927421,0.9256819272154068,0.880054485641834,0.8252475841272018
EOS-4-02814,N#Cc1ccc(-c2nnc3cncc(CNc4ccc(-c5nncs5)c(F)c4)n23)c(F)c1F,XMFLCVOEZIMPMQ-UHFFFAOYSA-N,4,1,0.337,45,291,464.436,4.211,5,0.415,0.74,1.0,0.26964395860461926,0.3923480227537523,0.8801572887396341,0.8635203207456651,0.6014173977109176
EOS-4-02815,Fc1ccnc(COc2cncc3nnc(-c4cnc(Cl)c(-c5ccccn5)c4)n23)c1,OZJIWOZSROIGIY-UHFFFAOYSA-N,4,1,0.558,24,338,433.834,4.015,5,0.386,0.68,1.0,0.6715698033034062,0.8361746967308615,0.6942721540675759,0.7334829689534644,0.7338749057638271
EOS-4-02816,N#Cc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)c1,ASXKASFFCZNMEL-UHFFFAOYSA-N,4,1,0.553,43,433,423.411,3.838,5,0.423,0.68,1.0,0.8672040984168323,0.8254917414844767,0.8709050099376328,0.862029675827565,0.8564076314166267
EOS-4-02817,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)c(F)n2)nc1,VCDIRGORIKFKSU-UHFFFAOYSA-N,4,1,0.506,65,263,433.382,2.333,5,0.372,0.67,1.0,0.8871564663148516,0.8255003084092934,0.2782365841957371,0.29083853060105547,0.5704329723802344
EOS-4-02818,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)nc1,DWIZQBMSEOHXNE-UHFFFAOYSA-N,4,1,0.517,90,683,430.802,2.838,4,0.471,0.79,1.0,0.5672760605852923,0.32989514084024396,0.75064251936125,0.7306901514632308,0.5946259680625043
EOS-4-02819,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cc1,GVLGOGWQDRDNIJ-UHFFFAOYSA-N,4,1,0.64,48,378,475.858,4.044,4,0.389,0.81,1.0,0.8871650332396683,0.7193475430059626,0.8579689534644644,0.8228873963402097,0.8218422315125763
EOS-4-02820,Fc1cc(-c2cscn2)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,ODPLEYOGJFLMKT-UHFFFAOYSA-N,4,1,0.578,59,439,440.41,4.306,5,0.379,0.71,1.0,0.5382341854567885,0.6185148379137825,0.8595195668562813,0.8586543074497979,0.7187307244191625
EOS-4-02823,Fc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccncn5)c4)n23)n1,MXCNRYLDRZSZAS-UHFFFAOYSA-N,4,1,0.462,75,199,419.355,2.29,5,0.396,0.58,1.0,0.7138904118977452,0.5745665136042766,0.37828113220478377,0.34403913371256256,0.5026942978548421
EOS-4-02824,Fc1ccncc1CCOc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,KJHPWTDOSNFFHS-UHFFFAOYSA-N,4,1,0.612,75,496,413.416,3.404,5,0.421,0.75,1.0,0.7933572064971558,0.6954886573915428,0.6264306764443835,0.6018007675964636,0.6792693269823864
EOS-4-02825,Cn1c(Cc2ccc(Cl)cc2)nnc1Cc1cncc2nnc(-c3ccc(F)c(C(F)(F)F)c3)n12,VONBHDZESMWNGP-UHFFFAOYSA-N,4,1,0.402,66,225,501.875,4.913,5,0.32,0.75,1.0,0.4371616064697416,0.5798523062161607,0.9315074360907408,0.9361849770406415,0.7211765814543212
EOS-4-02826,COc1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)cc1-c1ccccn1,VGXHNVHATPBETN-UHFFFAOYSA-N,4,1,0.549,1,61,446.417,4.114,5,0.363,0.78,0.999,0.8148516208621753,0.7513450071962169,0.8058563498046741,0.7035244328695771,0.7688943526831609
EOS-4-02827,Fc1ccnc(Cl)c1COc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,XPRGOPBZUKCXJN-UHFFFAOYSA-N,4,1,0.424,2,875,434.822,3.41,5,0.387,0.62,1.0,0.7015626070865603,0.6954972243163594,0.6476338153656364,0.678072099239257,0.6806914365019533
EOS-4-02828,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1cscn1,WWSAZERXLYDFNU-UHFFFAOYSA-N,4,1,0.517,43,383,451.458,4.781,5,0.37,0.74,1.0,0.9457713659104928,0.8466863134809129,0.8931961483106025,0.8390274826948119,0.881170327599205
EOS-4-02829,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(OC5COC5)c(F)c4)n23)cn1,QHVWVJCXCHOTHI-UHFFFAOYSA-N,4,1,0.36,0,688,421.432,2.997,5,0.529,0.75,0.997,0.5614591186347748,0.5798608731409773,0.8323452813378109,0.657494345829621,0.657789904735796
EOS-4-02830,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5cscn5)c(F)c4)n23)ccn1,GYBSBWYXUHPSDH-UHFFFAOYSA-N,4,1,0.417,14,189,422.42,4.167,5,0.396,0.79,1.0,0.5702487834966761,0.6663611130148722,0.8123243780412583,0.7930316633541225,0.7104914844767322
EOS-4-02831,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)cn5)n4)n23)cn1,YSRRMPPYBVCVET-UHFFFAOYSA-N,4,1,0.462,55,390,443.377,2.767,5,0.403,0.67,0.998,0.738057706805565,0.8022239736824069,0.5899612774998286,0.5583578918511412,0.6721502124597354
EOS-4-02832,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5F)n34)c(F)c2)nc1,HWRDXOKRIPGXDZ-UHFFFAOYSA-N,4,1,0.522,35,325,462.42,2.947,5,0.337,0.66,1.0,0.9508601192515934,0.9039733397299705,0.5136985127818519,0.42706120211089027,0.6988982934685766
EOS-4-02833,Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1Oc1cccnc1,WHHWMNNLBPMWEQ-UHFFFAOYSA-N,4,1,0.522,35,161,442.454,4.443,5,0.368,0.75,1.0,0.9318415461585909,0.8139092591323418,0.7482352134877664,0.6491844287574532,0.785792611884038
EOS-4-02834,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,PWFPJHRZEKSAPI-UHFFFAOYSA-N,4,1,0.633,75,496,413.416,3.404,5,0.421,0.76,1.0,0.7877030361181551,0.6955057912411761,0.6323332876430676,0.5988194777602632,0.6785903981906655
EOS-4-02835,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,OOJUALHICZJRKV-UHFFFAOYSA-N,4,1,0.773,23,17,390.752,4.441,4,0.483,0.78,1.0,0.9964618600507162,0.9970187101637996,0.9896768555959153,0.9944914673428826,0.9944122232883285
EOS-4-02836,Fc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1ncc(Cl)cn1,HFGKHBMVPZEQFI-UHFFFAOYSA-N,4,1,0.529,73,795,448.849,3.452,5,0.389,0.7,1.0,0.9440065793982592,0.9460969090535262,0.3782896991296004,0.43936330614762525,0.6769391234322527
EOS-4-02837,Fc1cc(-c2ccncn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,LQIZVRUBMQHRLA-UHFFFAOYSA-N,4,1,0.612,35,393,413.416,3.404,5,0.421,0.72,1.0,0.8908231101363855,0.8948409978754026,0.6562350078815709,0.6143170447536153,0.7640540401617436
EOS-4-02838,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)c(F)c1F,LVJJZSCEAMHBPB-UHFFFAOYSA-N,4,1,0.679,23,133,443.841,3.704,4,0.491,0.81,1.0,0.8045027756836406,0.7333030635323144,0.845264203961346,0.8268453156055102,0.8024788396957028
EOS-4-02839,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1-c1cn[nH]c1,FIUKFDKZUCTLPJ-UHFFFAOYSA-N,4,1,0.512,59,772,421.823,3.948,5,0.432,0.66,1.0,0.8378281132204783,0.8530601055445137,0.8750685353985334,0.8814508943869509,0.861851912137619
EOS-4-02840,N#Cc1nc(COc2cncc3nnc(-c4cc(-c5cocn5)ccc4F)n23)ccc1F,PKPYYXQIDXIOBA-UHFFFAOYSA-N,4,1,0.489,4,702,431.362,3.57,5,0.415,0.7,1.0,0.8123843465149749,0.7557998081008841,0.810165512987458,0.7719141936810363,0.7875659653210884
EOS-4-02841,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1-c1ccncc1,NQKUCQSFRVGXAP-UHFFFAOYSA-N,4,1,0.646,91,955,457.921,5.137,5,0.337,0.78,1.0,0.892536495099719,0.8328935645260778,0.8535141525597971,0.8190151463230758,0.8494898396271674
EOS-4-02842,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(COc5cccnc5)c4)n23)cc1F,JFYJUQLFFJKIDZ-UHFFFAOYSA-N,4,1,0.368,62,3,440.438,3.67,5,0.432,0.87,1.0,0.6098279761496813,0.4605150435199781,0.7594750188472346,0.6869045987252416,0.6291806593105339
EOS-4-02843,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cc1,PYRSLEXAARPAGR-UHFFFAOYSA-N,4,1,0.703,11,56,428.883,4.523,5,0.395,0.83,1.0,0.8097371667466247,0.9276180522239736,0.7506510862860668,0.7696353916798027,0.814410424234117
EOS-4-02844,CC(=O)c1ccc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)cc4)n23)cc1F,DVCKGACFCBSYLL-UHFFFAOYSA-N,4,1,0.344,96,961,428.402,4.396,5,0.395,0.81,0.998,0.30459701185662397,0.32990370776506067,0.7279830032211637,0.7438403810568158,0.5265810259749161
EOS-4-02845,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2F)cn1,KFFJLGZDRNEIBG-UHFFFAOYSA-N,4,1,0.547,16,214,447.861,4.323,5,0.37,0.71,1.0,0.8925450620245357,0.839721403604962,0.7829226920704544,0.7568192721540675,0.8180021074635049
EOS-4-02846,Fc1cncc2nnc(-c3ccc(-c4cscn4)nc3-c3ccc(C(F)F)nc3)n12,ONZMPWLCSDVFST-UHFFFAOYSA-N,4,1,0.521,24,243,425.399,4.449,5,0.423,0.72,0.812,0.2884826262764718,0.48228359947913096,0.7714001781920362,0.7438489479816325,0.5715038379823179
EOS-4-02847,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)c1,BSZQRLLZXYFEKU-UHFFFAOYSA-N,4,1,0.616,84,166,447.861,4.057,5,0.387,0.78,1.0,0.943081351518059,0.9619114522650949,0.6117812350078816,0.6605613049139881,0.794333835926256
EOS-4-02848,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)c(F)c3)n12,YJNMFSPULGRPBA-UHFFFAOYSA-N,4,1,0.628,88,876,454.824,4.394,5,0.375,0.67,1.0,0.9371530395449249,0.9166009869097389,0.8722842848331163,0.8871564663148516,0.9032986944006579
EOS-4-02849,COc1cc(-c2nnc3cncc(CNCc4ccc(F)c(F)c4)n23)ccc1-c1cncnc1,GCQCGOPQATVFCO-UHFFFAOYSA-N,4,1,0.417,14,291,459.46,3.825,5,0.396,0.74,1.0,0.5149235830306353,0.46052361044479473,0.8609502433006648,0.7930402302789391,0.6573594167637585
EOS-4-02850,Fc1cncc(F)c1COc1cncc2nnc(-c3cccc(-c4cscn4)c3)n12,DVIHWAQKPPTGNJ-UHFFFAOYSA-N,4,1,0.506,97,666,422.42,4.167,5,0.423,0.66,1.0,0.720264203961346,0.6137173600164485,0.797786306627373,0.7860496196285381,0.7294543725584264
EOS-4-02851,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c(F)n2)nc1,FZEYCBLXPGHBBA-UHFFFAOYSA-N,4,1,0.443,73,263,468.374,3.216,5,0.276,0.57,1.0,0.8650109656637653,0.8895295044890686,0.6088599136453978,0.6375933794805017,0.7502484408196833
EOS-4-02852,Cc1cnc(-c2ccc(-c3nnc4cncc(CNc5ccc(F)c(F)c5)n34)cc2Cl)nn1,UJLVRXXAMSLALJ-UHFFFAOYSA-N,4,1,0.357,45,471,464.867,4.495,5,0.409,0.75,1.0,0.28849119320128846,0.43859228291412516,0.7506596532108835,0.7766602700294702,0.5636008498389418
EOS-4-02853,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1ccccn1,WORQVOMFRVJDHY-UHFFFAOYSA-N,4,1,0.511,11,275,447.861,4.057,5,0.362,0.74,1.0,0.9482729079569597,0.939628880816942,0.6117898019326983,0.6463659104927695,0.7865143752998424
EOS-4-02854,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4Cl)n23)cn1,CHTJVHYSMDGUEM-UHFFFAOYSA-N,4,1,0.543,35,143,464.316,4.572,5,0.34,0.75,1.0,0.8302892193818107,0.8621410458501816,0.6697878829415393,0.7306987183880475,0.7732292166403948
EOS-4-02855,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)ccc1Cl,XMRINWKOPGUKLT-UHFFFAOYSA-N,4,1,0.346,82,478,410.828,3.835,5,0.445,0.81,0.998,0.3273593310945103,0.5373517922006716,0.8452727708861627,0.8635288876704817,0.6433781954629566
EOS-4-02856,N#Cc1c(F)ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nn4)n23)c1F,BIPLLDLZDPGLES-UHFFFAOYSA-N,4,1,0.416,54,411,443.377,2.767,5,0.403,0.58,0.9,0.8045113426084572,0.7007316153793435,0.6238605989993832,0.6048334589815639,0.6834842539921869
EOS-4-02857,Fc1cc(F)nc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ncccn5)c4)n23)c1,DNIXDEFKTAJXRD-UHFFFAOYSA-N,4,1,0.517,73,242,452.812,3.549,5,0.373,0.62,0.996,0.5900726475224454,0.7333116304571311,0.6088684805702145,0.6432818175587691,0.64388364402714
EOS-4-02858,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,KAGDCUYJBBGUFJ-UHFFFAOYSA-N,4,1,0.59,75,496,413.416,3.404,5,0.394,0.8,1.0,0.814860187786992,0.6955143581659927,0.5774364334178603,0.542140703173189,0.6574879206360085
EOS-4-02860,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)c(F)c5)cc4)n23)cc1F,BLGBEXCNVKCLRP-UHFFFAOYSA-N,4,1,0.443,62,504,488.429,4.227,5,0.384,0.83,1.0,0.3490507847303132,0.4561373449386608,0.8932047152354191,0.8483825645946131,0.6366938523747516
EOS-4-02861,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)cc1-c1ccccn1,AJXGKAJAIOCZTO-UHFFFAOYSA-N,4,1,0.505,11,275,447.861,4.057,5,0.362,0.69,1.0,0.9491724350627099,0.9438780755260092,0.6148567610170653,0.6519686793228703,0.7899689877321636
EOS-4-02862,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4F)n23)c(F)cn1,GLTSAZYPQDXQJS-UHFFFAOYSA-N,4,1,0.523,58,28,439.357,3.275,5,0.371,0.57,1.0,0.8148687547118086,0.7598690973888013,0.6887978891097252,0.6605698718388048,0.731026403262285
EOS-4-02863,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)nn5)n34)cc2F)nc1,DBQYBJCVHJDYIW-UHFFFAOYSA-N,4,1,0.471,73,82,453.8,2.944,5,0.396,0.69,1.0,0.8961688712219862,0.8924079912274689,0.39658865053800285,0.479859159756014,0.666256168185868
EOS-4-02864,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5nnco5)c4)n23)c1,YTKUMHIJXXPDEN-UHFFFAOYSA-N,4,1,0.54,37,125,455.812,3.789,5,0.356,0.63,1.0,0.9583647453909945,0.9015317661572202,0.7408419573709821,0.7766688369542869,0.8443518264683709
EOS-4-02865,N#Cc1nc(COc2cncc3nnc(-c4cccc(-c5cncnc5)c4)n23)ccc1F,FUUVWHPYMBCRFF-UHFFFAOYSA-N,4,1,0.517,4,702,424.399,3.233,5,0.422,0.65,1.0,0.6654958536083887,0.7056233294496608,0.7097268864368447,0.6575029127544376,0.684587245562333
EOS-4-02866,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Br)n4)n23)cn1,MPWLDBFIMMYPOL-UHFFFAOYSA-N,4,1,0.571,90,385,466.126,4.272,4,0.409,0.69,1.0,0.8517493660475636,0.9525649372901104,0.6618634774861216,0.7670396134603523,0.808304348571037
EOS-4-02867,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc(C(F)F)c1,HOOOYFJFDYHHAS-UHFFFAOYSA-N,4,1,0.512,43,607,469.402,4.382,5,0.343,0.71,1.0,0.717043040230279,0.646845658282503,0.9487697895963265,0.9335035295730245,0.8115405044205333
EOS-4-02868,FC(F)c1cccnc1Oc1ccc(-c2nnc3cncc(OCc4ccns4)n23)cc1,FQCYXZJOTFFMMI-UHFFFAOYSA-N,4,1,0.548,97,91,452.446,4.952,5,0.345,0.64,1.0,0.7791618120759373,0.7427095469810157,0.80013364402714,0.6980673017613598,0.7550180762113632
EOS-4-02869,N#Cc1c(F)cc(Cl)cc1NCc1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,PVOOCDNUZPKLKB-UHFFFAOYSA-N,4,1,0.441,23,678,439.813,3.306,4,0.492,0.76,0.999,0.3395500651086286,0.4206617092728394,0.8722928517579329,0.8551590021245974,0.6219159070659996
EOS-4-02870,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ccc2Cl)nc1,HUVUDFBIURFPAY-UHFFFAOYSA-N,4,1,0.536,16,55,464.316,4.838,5,0.344,0.72,1.0,0.9119405798094716,0.935371119183058,0.7332773627578645,0.767048180385169,0.8369093105338907
EOS-4-02871,O=C1c2ccc(-c3cncc4nnc(-c5ccc(OC(F)F)cn5)n34)CCCCN1cc2F,GTYLPPODWHNLQV-UHFFFAOYSA-N,4,1,0.392,78,792,454.412,3.935,5,0.594,0.58,0.024,0.3649852648893153,0.4251165101775067,0.1389212528270852,0.24041361113014872,0.292359159756014
EOS-4-02872,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)nc4Cl)n23)cc1F,AIJFHGIGWFNEAQ-UHFFFAOYSA-N,4,1,0.378,66,999,432.793,3.943,4,0.494,0.79,1.0,0.42336885751490644,0.48700397505311493,0.9116664382153382,0.8772445343019669,0.6748209512713316
EOS-4-02873,Oc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccsc1,NUWKAVNNAFYWIL-UHFFFAOYSA-N,4,1,0.556,35,352,433.468,4.381,5,0.4,0.59,1.0,0.8853231444040847,0.8062675621958741,0.7594835857720512,0.7173600164484957,0.7921085772051264
EOS-4-02875,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,LQKPNGVBAIJJKT-UHFFFAOYSA-N,4,1,0.746,23,17,390.752,4.441,4,0.483,0.78,1.0,0.9975584264272497,0.9968987732163662,0.9885888561441984,0.9936347748612158,0.9941702076622575
EOS-4-02876,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4c[nH]cn4)c(F)c3)n12,QPSRPZMZIGUTOJ-UHFFFAOYSA-N,4,1,0.563,35,161,419.395,3.476,5,0.453,0.67,1.0,0.8717445685696662,0.6663696799396889,0.7954047015283394,0.7766774038791036,0.7775490884791996
EOS-4-02877,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5cscn5)ncn4)n23)cc1F,CBGBVRIGNYOSML-UHFFFAOYSA-N,4,1,0.422,44,488,441.398,3.701,5,0.384,0.67,0.988,0.6470512644781029,0.579869440065794,0.812332944966075,0.8017784935919402,0.710258035775478
EOS-4-02878,Cn1c(Cc2cncc3nnc(-c4ccc(C#N)nc4)n23)cnc1C(F)(F)C(F)F,KXNDUSBXDRASIX-UHFFFAOYSA-N,4,1,0.375,68,455,416.342,2.739,4,0.464,0.71,1.0,0.317515934480159,0.3448187238708793,0.9078113220478377,0.8228959632650263,0.5982604859159756
EOS-4-02879,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,KATSSSIXYVFHLS-UHFFFAOYSA-N,4,1,0.37,66,688,424.386,3.764,5,0.539,0.89,1.0,0.39465252552943597,0.37834110067850046,0.8390017819203619,0.815040093208142,0.6067588753341101
EOS-4-02880,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]cn5)c(F)c4)n23)ccn1,DYOILCPJFRJRFN-UHFFFAOYSA-N,4,1,0.57,35,626,419.395,3.476,5,0.424,0.62,1.0,0.9242683846206565,0.7284713179357138,0.7871290521554383,0.7619936947433349,0.8004656123637859
EOS-4-02881,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)c(F)c4)n23)cc1F,LPPRPKNORGTOPZ-UHFFFAOYSA-N,4,1,0.4,0,188,457.387,4.23,5,0.439,0.88,1.0,0.6867503940785415,0.8678808854773491,0.9025255294359537,0.9185970803920225,0.8439384723459666
EOS-4-02882,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4Cl)n23)cc1F,YYIZGDSJJFIASM-UHFFFAOYSA-N,4,1,0.651,23,721,443.841,3.704,4,0.491,0.85,1.0,0.8517579329723802,0.7333201973819478,0.8695428688917826,0.8466092111575629,0.8253075526009184
EOS-4-02883,COc1cc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1cscn1,YADDJBJHUPVHSB-UHFFFAOYSA-N,4,1,0.528,1,383,451.458,4.781,5,0.37,0.73,1.0,0.9508686861764101,0.8621496127749982,0.8943869508601192,0.8390360496196285,0.886610324857789
EOS-4-02884,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3cccc(Cl)c3)n12,RBCMBBMYRLQPKI-UHFFFAOYSA-N,4,1,0.573,47,164,421.823,3.948,5,0.462,0.71,1.0,0.8925536289493523,0.8895380714138853,0.8039116578712905,0.8369114522650949,0.8557287026249057
EOS-4-02885,Fc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3cncnc3)n12,AUAMTHMHGDOTNY-UHFFFAOYSA-N,4,1,0.506,65,263,449.837,2.847,5,0.36,0.66,1.0,0.9119491467342883,0.9084709752587211,0.27824515112055376,0.32796758275649374,0.6066582139675143
EOS-4-02886,Fc1cc(Br)nc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)n1,ACBWAASKIHQBOA-UHFFFAOYSA-N,4,1,0.494,90,555,436.632,3.11,4,0.358,0.66,1.0,0.7015711740113769,0.9084795421835378,0.4547580700431773,0.5421492700980056,0.6517395140840244
EOS-4-02887,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(Cl)c4F)n23)cc1F,XYXOADNUZZNPBG-UHFFFAOYSA-N,4,1,0.354,0,129,456.84,3.109,4,0.491,0.78,1.0,0.4233774244397231,0.47361387156466317,0.7529470221369338,0.6840518127612912,0.5834975327256529
EOS-4-02888,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)c1F,WMPRBFQNBWMVBT-UHFFFAOYSA-N,4,1,0.54,35,919,470.892,4.863,5,0.33,0.64,1.0,0.822878829415393,0.8397299705297786,0.8194606264135426,0.8448358577205126,0.8317263210198067
EOS-4-02889,N#Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5cccnn5)c4)n23)ccc1F,RYSJHBCFDFZTBE-UHFFFAOYSA-N,4,1,0.495,4,702,442.389,3.372,5,0.407,0.77,1.0,0.8071842231512576,0.8255088753341101,0.7891337125625385,0.7646922760605853,0.7966297717771228
EOS-4-02890,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)cc1F,ATHZVUOHPPBMBB-UHFFFAOYSA-N,4,1,0.5,58,28,465.851,4.196,5,0.347,0.64,1.0,0.8908316770612021,0.910535604139538,0.6970392707833596,0.7363100541429648,0.8086791515317662
EOS-4-02891,Fc1cc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)sc1-c1nn[nH]n1,ZROLFUZYCQTGHE-UHFFFAOYSA-N,4,1,0.631,36,996,460.401,3.352,5,0.393,0.69,1.0,0.7380662737303817,0.8432338427797957,0.6618720444109383,0.6491929956822698,0.7230912891508464
EOS-4-02892,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)s1)N1CC(F)(F)C1,AZRDEFINMTYESQ-UHFFFAOYSA-N,4,1,0.429,66,345,480.327,4.842,5,0.42,0.75,1.0,0.3511068466863135,0.5145038037146186,0.5137070797066685,0.771922760605853,0.5378101226783634
EOS-4-02893,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1nccs1,VDMNNJLJLQRMTJ-UHFFFAOYSA-N,4,1,0.548,59,526,456.865,4.82,5,0.377,0.71,1.0,0.8352494688506613,0.8530686724693304,0.8177129737509423,0.8466177780823796,0.8381622232883285
EOS-4-02894,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCc3nc(Cl)ncc3F)n12,QYWSHSCLUOBQLZ-UHFFFAOYSA-N,4,1,0.466,73,526,457.853,4.215,5,0.365,0.7,1.0,0.7170516071550956,0.7898619011719553,0.7253443903776301,0.764700842985402,0.7492396854225207
EOS-4-02895,Cc1ccnc(-c2cncc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)c2)n1,ALBZVVMSPDMGMH-UHFFFAOYSA-N,4,1,0.477,2,109,431.406,3.809,5,0.418,0.7,1.0,0.7734134055239531,0.6758189980124735,0.7408505242957988,0.7063515180590775,0.7241086114728258
EOS-4-02897,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cn1,SIARFAKBIQNYJB-UHFFFAOYSA-N,4,1,0.658,59,294,447.405,3.509,5,0.39,0.74,1.0,0.8834384209444178,0.8397385374545953,0.7482437804125831,0.6463744774175861,0.7794488040572956
EOS-4-02898,COc1nc(Cl)ccc1-c1cncc2nnc(-c3ccc(-c4cnco4)c(F)c3)n12,UEIGJQACKNMJAA-UHFFFAOYSA-N,4,1,0.35,96,680,422.807,4.309,5,0.398,0.77,1.0,0.7561596189431842,0.6907682818175588,0.7783136865190871,0.7594835857720512,0.7461812932629703
EOS-4-02899,Fc1cnc(Cl)nc1COc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,NZZDVKBJFODKFR-UHFFFAOYSA-N,4,1,0.529,24,199,434.822,3.41,5,0.387,0.67,1.0,0.7262182167089302,0.6907768487423754,0.4327239394147077,0.46160304297169485,0.5778305119594271
EOS-4-02900,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)cn2)ccn1,PLXCHHCTJAYTJQ-UHFFFAOYSA-N,4,1,0.457,55,564,447.861,4.323,5,0.396,0.7,1.0,0.8539939003495305,0.8255174422589268,0.8020355013364403,0.7719313275306696,0.8133695428688918
EOS-4-02901,Fc1cccc(-c2cncnc2-c2nnc3cncc(-c4ncnc(-c5cccnc5)n4)n23)c1,PNXWISARBFZKST-UHFFFAOYSA-N,4,1,0.318,94,136,448.425,3.301,6,0.4,0.79,0.693,0.30190699746419025,0.334744020286478,0.2782537180453704,0.37334658351038313,0.32206282982660545
EOS-4-02902,COc1cc(-c2nnc3cncc(OCc4ccc(OC(F)F)cc4)n23)ccc1-c1cscn1,QEQBDJMUJQYPFP-UHFFFAOYSA-N,4,1,0.638,1,713,481.484,5.104,5,0.305,0.78,1.0,0.9280635323144404,0.8397471043794119,0.9173377424439723,0.8288756767870605,0.8785060139812213
EOS-4-02903,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4ccc(C(F)(F)F)nn4)nc3)n12,MUBCMMKGUXBYLP-UHFFFAOYSA-N,4,1,0.453,13,724,505.794,5.386,5,0.303,0.68,0.966,0.8778699198135838,0.9238657391542732,0.9863700226166815,0.9730998560756631,0.9403013844150504
EOS-4-02904,CC#CC#Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)cn1,PEKAMDUGXOQZED-UHFFFAOYSA-N,4,1,0.538,16,770,461.46,3.736,5,0.368,0.63,0.999,0.9119577136591049,0.8432424097046124,0.7891422794873553,0.6575114796792544,0.8004634706325818
EOS-4-02905,OCc1cc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)cc(-c2ccsc2)n1,RBHLQLMGCOPLMN-UHFFFAOYSA-N,4,1,0.494,59,109,467.913,4.779,5,0.387,0.78,1.0,0.7791703790007539,0.7007401823041601,0.8723014186827497,0.8772531012267837,0.8073662703036117
EOS-4-02906,Cn1cc(-c2cc(-c3nnc4cncc(OCc5c(F)ccnc5F)n34)ccc2F)cn1,XXNUDMLPVCIACK-UHFFFAOYSA-N,4,1,0.518,16,394,437.385,3.583,5,0.391,0.69,1.0,0.7380748406551985,0.6955229250908094,0.8907460078130355,0.8635374545952985,0.7969703070385854
EOS-4-02907,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cscn1,GFXWHRFVAWBPDM-UHFFFAOYSA-N,4,1,0.511,1,383,451.458,4.781,5,0.37,0.74,1.0,0.9561630457131108,0.853077239394147,0.8969570283051196,0.8350609965046947,0.885314577479268
EOS-4-02908,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1nccs1,DFQKUFIDQXDPFE-UHFFFAOYSA-N,4,1,0.5,13,209,437.431,4.994,5,0.386,0.76,1.0,0.8629377698581318,0.785535604139538,0.8548677266808307,0.7906671921047221,0.8235020731958056
EOS-4-02909,Fc1cc(-c2cccc(CCOc3cncc4nnc(-c5ccncc5)n34)n2)c(F)cn1,IYLPONNTNFKMON-UHFFFAOYSA-N,4,1,0.534,11,278,431.406,3.543,5,0.38,0.7,1.0,0.7262267836337468,0.6857994654238915,0.6618806113357549,0.6376019464053183,0.6778772016996778
EOS-4-02910,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1nccn1C(F)F,QZVYGDNZNXSSHO-UHFFFAOYSA-N,4,1,0.49,37,353,486.845,4.254,5,0.317,0.58,1.0,0.897796586937153,0.9015403330820368,0.8101740799122746,0.7860581865533548,0.8488922966212048
EOS-4-02911,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccncc5)nn4)n23)c1,SGNYPSPJSCPMAM-UHFFFAOYSA-N,4,1,0.459,54,691,417.379,3.501,5,0.432,0.78,0.999,0.6957627989856761,0.5992649578507299,0.759492152696868,0.7743214995545199,0.7072103522719485
EOS-4-02912,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cc1C(F)(F)F,JFZYGPNCHRDGAR-UHFFFAOYSA-N,4,1,0.333,50,845,477.41,3.084,5,0.419,0.75,1.0,0.33250805290932767,0.3542080734699472,0.8520577753409636,0.6840603796861079,0.5557085703515866
EOS-4-02913,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)ccc1F,KUYXLZIVGQWESQ-UHFFFAOYSA-N,4,1,0.506,73,420,459.832,3.281,5,0.388,0.67,1.0,0.7705349187855527,0.8022325406072236,0.5341220615447879,0.5384569255020218,0.6613366116098964
EOS-4-02914,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1N1CCCC1,XBHVOZQUYVHKRH-UHFFFAOYSA-N,4,1,0.625,90,636,486.91,4.663,5,0.358,0.74,1.0,0.7107977520389281,0.590029812898362,0.2745699403742033,0.4645586320334453,0.5099890343362347
EOS-4-02915,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)c(Cl)c3)n12,UOPCRASAOOLZPK-UHFFFAOYSA-N,4,1,0.54,35,325,447.861,4.057,5,0.387,0.7,1.0,0.9328952779110411,0.9450089096018094,0.586782948392845,0.6432903844835858,0.7769943800973204
EOS-4-02916,COc1cc(-c2nnc3cncc(Br)n23)ccc1-c1ncc(Cl)cn1,NVSPZISLTHCYDO-UHFFFAOYSA-N,4,1,0.619,90,861,417.654,3.673,4,0.506,0.85,1.0,0.487338085120965,0.39706839832773627,0.5306781577684874,0.5320659995887876,0.4867876602014941
EOS-4-02917,O=C(NOCc1ccccc1)c1ccc(-c2cncc3nnc(-c4cccc(Cl)c4F)n23)c(F)c1,XLBNADLIEAOZHU-UHFFFAOYSA-N,4,1,0.359,79,504,491.885,5.252,5,0.328,0.81,1.0,0.4281663354122404,0.5009680625042835,0.9518367486806936,0.9460883421287095,0.7067648721814818
EOS-4-02918,Fc1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5cnc(F)cn5)s4)n23)nc1,PRIFPFCFDLRIIH-UHFFFAOYSA-N,4,1,0.355,85,674,425.399,3.713,5,0.437,0.55,0.997,0.3019155643890069,0.35922829141251456,0.5867915153176616,0.6662754437667056,0.47855270372147213
EOS-4-02919,Fc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)n1,VCSCCNFCYQEKQG-UHFFFAOYSA-N,4,1,0.462,7,435,419.355,2.29,5,0.396,0.59,1.0,0.6655044205332054,0.5851209649784114,0.42555342334315677,0.38935816599273526,0.5163842437118772
EOS-4-02920,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5ccc(OC6CC6)nc5)n34)cn2)n1,TWBHMKOXDHSXBI-UHFFFAOYSA-N,4,1,0.307,82,478,425.427,3.991,6,0.393,0.77,0.992,0.5174422589267357,0.5946816530738126,0.4180145295044891,0.5017390857377836,0.5079693818107053
EOS-4-02921,Fc1cc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)cnc1Cl,UBSKNMYVEMJVJR-UHFFFAOYSA-N,4,1,0.44,2,875,434.822,3.41,5,0.387,0.63,1.0,0.7170601740799123,0.6758275649372901,0.6861592762661914,0.6895603454184086,0.6921518401754507
EOS-4-02922,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1-c1csnn1,HJIBMBXWRSRWOA-UHFFFAOYSA-N,4,1,0.517,43,96,470.436,4.315,5,0.342,0.69,1.0,0.7138989788225618,0.7979319443492564,0.909738880131588,0.865199438009732,0.8216923103282846
EOS-4-02923,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1cnco1,HDCKPIKMFBIVQM-UHFFFAOYSA-N,4,1,0.552,35,352,461.844,4.127,5,0.347,0.59,1.0,0.9448975395791926,0.9015489000068535,0.8624837228428484,0.8466263450071962,0.8888891268590227
EOS-4-02924,Cc1ccc(-c2nnc3cncc(OCc4ccc5cc(F)c(n4)C5(F)F)n23)cn1,OHZWTIJNVOWYCL-UHFFFAOYSA-N,4,1,0.495,78,792,410.359,3.641,5,0.656,0.5,0.935,0.6043708450414639,0.6468542252073196,0.8504300596257968,0.6405404016174354,0.685548882873004
EOS-4-02925,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Br,FMDYBXDCEARWPG-UHFFFAOYSA-N,4,1,0.571,90,400,460.719,3.716,4,0.472,0.74,1.0,0.8540024672743473,0.8734151189089164,0.7643238982934686,0.7743300664793366,0.8165178877390172
EOS-4-02926,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cc(-c4cccnn4)ncn3)n12,KTRXSCPNYJWAQD-UHFFFAOYSA-N,4,1,0.391,44,488,434.822,3.41,5,0.414,0.72,0.467,0.692567336029059,0.6415598656706188,0.6088770474950311,0.6721009526420396,0.6537763004591872
EOS-4-02927,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c(F)n2)nc1,NUBFGLUTARLEOI-UHFFFAOYSA-N,4,1,0.548,59,109,431.406,3.809,5,0.391,0.73,1.0,0.8778784867384004,0.8329021314508944,0.6059557261325474,0.5959752587211294,0.728177900760743
EOS-4-02928,Cc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cc(-c2ncccc2F)n1,KSHHBIYFRNTVSU-UHFFFAOYSA-N,4,1,0.478,24,89,431.406,3.809,5,0.418,0.68,1.0,0.8071927900760743,0.6137259269412652,0.6754420533205401,0.6463830443424029,0.6856859536700706
EOS-4-02929,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-n5cccc5)cc4)n23)cc1,POTANLKLRSNRCH-UHFFFAOYSA-N,4,1,0.786,91,660,415.884,4.857,5,0.397,0.79,1.0,0.9798248920567473,0.9749760126105134,0.8520663422657803,0.8702110890274827,0.9192695839901309
EOS-4-02930,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nn4)n23)c1F,YDBJBNXZLRQLCW-UHFFFAOYSA-N,4,1,0.442,54,691,418.367,2.896,5,0.429,0.68,0.998,0.7705434857103695,0.6907854156671921,0.5899698444246453,0.6203138921252828,0.6679031594818724
EOS-4-02931,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(F)cc4F)n23)nc1)N1CCC(F)(F)CC1,WKJSQZBVGWTTPT-UHFFFAOYSA-N,4,1,0.396,78,345,470.43,3.927,5,0.423,0.73,0.998,0.20170824480844357,0.32093413748200944,0.28559557261325474,0.5899184428757454,0.3495390994448633
EOS-4-02932,Cn1cc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)ccc5F)n34)cc2)cn1,KPKPERSEUMQUPJ-UHFFFAOYSA-N,4,1,0.577,13,15,420.835,4.777,5,0.418,0.76,1.0,0.5459958193406894,0.789870468096772,0.9087194160784045,0.9063892125282709,0.7877437290110342
EOS-4-02933,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1cscn1,OOGUKZNVTTYCQL-UHFFFAOYSA-N,4,1,0.523,11,490,454.437,4.349,5,0.38,0.64,1.0,0.9189140566102392,0.8842951134260846,0.8141234322527585,0.8210455075046261,0.8595945274484271
EOS-4-02934,COc1cc(-c2nnc3cncc(Oc4cccc(Cl)c4)n23)ccc1-c1ccsc1,SPXMNQVKJWHBBJ-UHFFFAOYSA-N,4,1,0.649,13,209,434.908,5.974,5,0.341,0.76,1.0,0.7734219724487698,0.7898790350215886,0.8863169076828181,0.8772616681516003,0.8317198958261942
EOS-4-02935,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncncn5)c(Cl)c4)n23)nc1,QOKGRNXPUHWGOX-UHFFFAOYSA-N,4,1,0.529,51,795,449.837,2.847,5,0.385,0.66,1.0,0.9401514632307587,0.9220238503186896,0.31088513467205814,0.3733551504351998,0.6366038996641766
EOS-4-02936,Fc1ncncc1-c1cccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)c1,ZUWBNGSJWIFWPQ-UHFFFAOYSA-N,4,1,0.479,15,215,448.849,3.452,5,0.287,0.67,1.0,0.8758566924816668,0.8530858063189637,0.537523130697005,0.5483003221163731,0.7036914879035021
EOS-4-02937,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncc(Cl)cn1,KEYHLTQHWMPSEY-UHFFFAOYSA-N,4,1,0.565,73,141,482.306,4.711,5,0.346,0.7,1.0,0.9635648687547118,0.9594013432938112,0.7357446371050648,0.8017870605167569,0.8651244774175861
EOS-4-02938,Fc1cnc(Cl)c(COc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cc4)n23)c1,QXUPSPQIAXFCAV-UHFFFAOYSA-N,4,1,0.518,43,755,472.871,4.268,6,0.346,0.69,1.0,0.9362363785895415,0.8177215406757591,0.6618891782605716,0.7253101226783634,0.7852893050510589
EOS-4-02939,Clc1ccc(Oc2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cc1,HQKFHHAGQKAQBA-UHFFFAOYSA-N,4,1,0.552,11,595,479.327,5.302,5,0.293,0.83,1.0,0.8328764306764443,0.9039819066547872,0.8213967514221096,0.8390446165444452,0.8493249263244466
EOS-4-02940,Cn1ccnc1-c1c(F)cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4)n23)cc1F,KBXDEROFXSGNCV-UHFFFAOYSA-N,4,1,0.549,59,607,461.407,4.06,5,0.392,0.63,1.0,0.892562195874169,0.8397556713042287,0.9399458570351586,0.9206445754232061,0.8982270749091906
EOS-4-02941,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5ncncc5F)n34)c2)nc1,ZZSCNHCWLXAEMO-UHFFFAOYSA-N,4,1,0.5,73,82,418.367,2.896,5,0.429,0.61,1.0,0.7233225961208964,0.6087999451716811,0.4926067438832157,0.4860359125488315,0.5776912994311562
EOS-4-02942,Fc1cccc(CNCc2cncc3nnc(-c4ccc(-c5cncs5)cc4F)n23)c1,OQURDAXSQQSFDM-UHFFFAOYSA-N,4,1,0.386,14,291,434.475,4.483,5,0.427,0.79,1.0,0.31500582550887535,0.3830871770269344,0.8268281817558769,0.8428740319374958,0.5919488040572957
EOS-4-02943,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c(F)c1,HMUQQWMSTJZTIN-UHFFFAOYSA-N,4,1,0.59,11,28,454.437,4.349,5,0.355,0.66,1.0,0.8281132204783771,0.9183315057227058,0.7551572887396341,0.7620022616681515,0.8159010691522172
EOS-4-02945,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(-c5cccnn5)cnc4Cl)n23)n1,PGUOPMKMIRURPN-UHFFFAOYSA-N,4,1,0.412,73,875,453.8,2.944,5,0.292,0.57,1.0,0.5811030772393941,0.6858080323487081,0.4789253649509972,0.5217085874854362,0.566886265506134
EOS-4-02946,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,JSUZBVBCPRVISU-UHFFFAOYSA-N,4,1,0.532,24,912,438.875,4.681,5,0.396,0.75,1.0,0.7961585909122062,0.7470187101637996,0.7912497429922555,0.8210540744294428,0.788870279624426
EOS-4-02947,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)ccn2)cc1F,UHRKRVYTQHWLHO-UHFFFAOYSA-N,4,1,0.523,55,183,431.406,3.809,5,0.391,0.68,1.0,0.7821174011376876,0.6272873689260503,0.7806524569940374,0.7093413748200946,0.7248496504694676
EOS-4-02948,O=[N+]([O-])c1cc(-c2nnc3cncc(-c4ccc(OC5CCCC5)nc4)n23)cc(F)c1F,GBAPPULCFGVPQM-UHFFFAOYSA-N,4,1,0.343,0,169,438.394,4.361,5,0.336,0.79,1.0,0.5407614282777055,0.3735436227811665,0.25284421903913373,0.3157083133438421,0.37071439586046195
EOS-4-02949,Fc1cnc(-c2cncc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c2)nc1,OMOLHTPKOJZCDD-UHFFFAOYSA-N,4,1,0.518,2,491,432.394,2.938,5,0.377,0.65,1.0,0.832884997601261,0.7470272770886163,0.5341306284696046,0.5083270509218011,0.6555924885203207
EOS-4-02950,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cn2)nc1,QIMYPUHKNSFBMF-UHFFFAOYSA-N,4,1,0.489,73,930,436.357,3.035,5,0.387,0.69,1.0,0.6499211842916867,0.7855441710643547,0.6117983688575149,0.6048420259063807,0.6630264375299842
EOS-4-02951,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)ccn1,YRGDAZUAHDGHCU-UHFFFAOYSA-N,4,1,0.582,11,201,412.428,4.009,5,0.392,0.83,1.0,0.9635734356795285,0.9493266397094099,0.712348365430745,0.6840689466109245,0.8273293468576519
EOS-4-02952,N#Cc1ccc(-c2nnc3cncc(CNc4ccc(F)c(-c5ccncc5)n4)n23)cc1,XOVQDWDTVDBYKG-UHFFFAOYSA-N,4,1,0.438,14,257,422.427,3.871,5,0.458,0.79,1.0,0.24295798780069905,0.17311184977040642,0.7097354533616613,0.6840775135357412,0.45247070111712706
EOS-4-02953,Fc1cccc(CCOc2cncc3nnc(-c4ccncc4-c4cnccn4)n23)c1,XZNFWUHBQBETMG-UHFFFAOYSA-N,4,1,0.602,35,393,413.416,3.404,5,0.421,0.69,1.0,0.7791789459255706,0.714849907477212,0.6027859639503804,0.6018093345212803,0.6746560379686108
EOS-4-02954,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5F)n34)cc2Cl)n1,VZOAJVMNQREHAY-UHFFFAOYSA-N,4,1,0.506,16,772,466.839,3.857,5,0.36,0.64,1.0,0.8834469878692345,0.8843036803509012,0.6916935096977589,0.7008943869508601,0.7900846412171887
EOS-4-02955,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,MYUVWJLDRRGWNJ-UHFFFAOYSA-N,4,1,0.47,73,196,438.875,4.681,5,0.396,0.72,1.0,0.8097457336714413,0.843250976629429,0.6996350490028099,0.7620108285929683,0.7786606469741622
EOS-4-02956,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4Cl)n23)cc1F,SFQJWKMLZMSFNZ-UHFFFAOYSA-N,4,1,0.651,23,721,460.296,4.218,4,0.466,0.89,1.0,0.8540110341991639,0.7380320060311151,0.8709135768624494,0.8715817969981495,0.8336346035227195
EOS-4-02957,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)ccn2)cc1,VPMNNOURHPOKPT-UHFFFAOYSA-N,4,1,0.511,1,744,430.418,4.414,5,0.384,0.78,1.0,0.7621307655404016,0.7148584744020287,0.8373397985059283,0.8040487286683572,0.7795944417791789
EOS-4-02958,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cc2F)n1,MSSBNYVXNIETNV-UHFFFAOYSA-N,4,1,0.59,43,16,437.385,3.583,5,0.418,0.74,1.0,0.844647385374546,0.8100027414159413,0.8709221437872661,0.8586628743746145,0.8460587862380919
EOS-4-02959,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)c2)nc1,ZUYZITMZDJKZII-UHFFFAOYSA-N,4,1,0.607,37,141,431.406,3.543,5,0.406,0.75,1.0,0.935062709889658,0.9125659653210884,0.577445000342677,0.5743352066342265,0.7498522205469125
EOS-4-02960,Fc1cc(F)c(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ccccn1,ZOBVUUOLNZVMFK-UHFFFAOYSA-N,4,1,0.489,87,846,431.406,3.543,5,0.406,0.72,1.0,0.7791875128503872,0.7937769858131725,0.6447638955520526,0.6519772462476869,0.7174264101158248
EOS-4-02961,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCc3ccc(OC(F)(F)F)cn3)n12,PAFNDFTVIQTBKB-UHFFFAOYSA-N,4,1,0.552,27,28,489.414,4.322,5,0.257,0.62,0.999,0.7502912754437667,0.8843122472757179,0.9181944349256391,0.8390531834692618,0.8479627852785964
EOS-4-02962,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(O)C(F)F)nc4)n23)cc1F,QGNDCZNWUVVSDS-UHFFFAOYSA-N,4,1,0.354,66,688,414.347,2.39,4,0.518,0.62,0.995,0.45136556781577686,0.49641902542663285,0.9265129189226236,0.8757538893838668,0.687512850387225
EOS-4-02963,O=C(NCCF)c1ccc(-c2nnc3cncc(CNc4ccc(F)cc4F)n23)cc1F,RVLVHCYHVYFYQB-UHFFFAOYSA-N,4,1,0.396,23,678,444.392,3.52,4,0.426,0.83,1.0,0.3835754917414845,0.447441916249743,0.7891508464121719,0.7542063600849839,0.5935936536220958
EOS-4-02965,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)c(F)c1,POJGIYJEFLBBQG-UHFFFAOYSA-N,4,1,0.455,54,691,417.379,3.501,5,0.432,0.73,0.997,0.7473613871564663,0.6518573093002535,0.6808135151805907,0.7093499417449113,0.6973455383455555
EOS-4-02966,Fc1cncc(F)c1COc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,RFWMIDDDTBZRNY-UHFFFAOYSA-N,4,1,0.448,2,980,418.367,2.896,5,0.429,0.66,1.0,0.6807621136316908,0.6040196011239806,0.6724350627098896,0.657520046604071,0.653684206017408
EOS-4-02967,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)cc1F,ZFKLMOXVLHAOJW-UHFFFAOYSA-N,4,1,0.435,23,678,414.803,3.434,4,0.521,0.88,1.0,0.40755431430333766,0.464952710575012,0.8520749091905969,0.8483911315194298,0.6432432663970941
EOS-4-02968,N#Cc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nn5)n34)ccn2)ccc1F,NWPJWXTYRYZBGW-UHFFFAOYSA-N,4,1,0.484,4,799,442.389,3.372,5,0.407,0.63,1.0,0.7202727708861627,0.7333287643067644,0.8160852580357755,0.797554999657323,0.7668104482215065
EOS-4-02969,Fc1cncc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cncnc5)c4)n23)c1,BNGSFHWYXKROIA-UHFFFAOYSA-N,4,1,0.489,65,215,448.849,3.452,5,0.364,0.58,1.0,0.8281217874031938,0.8678894524021658,0.6178808854773491,0.6405489685422521,0.7386102734562402
EOS-4-02970,Fc1ccc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)cc1-c1c[nH]nn1,XXMVNINKRYCDQP-UHFFFAOYSA-N,4,1,0.523,16,772,440.801,3.482,5,0.417,0.61,0.995,0.8228873963402097,0.7855527379891714,0.8535227194846138,0.8652080049345487,0.8317927146871359
EOS-4-02971,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1,SUWGLFXOEGMWAN-UHFFFAOYSA-N,4,1,0.693,11,56,428.883,4.523,5,0.395,0.84,1.0,0.917500514015489,0.9493352066342265,0.7357532040298814,0.759492152696868,0.8405202693441162
EOS-4-02972,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1F,KRAHLVWPADTMEJ-UHFFFAOYSA-N,4,1,0.578,35,300,431.406,3.543,5,0.406,0.73,1.0,0.957730792954561,0.9105441710643547,0.6642365156603386,0.6285552737989172,0.790266688369543
EOS-4-02973,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)cc1,BRVXSYAVUDHCRH-UHFFFAOYSA-N,4,1,0.573,23,17,427.386,3.537,4,0.476,0.8,1.0,0.928072099239257,0.6758361318621068,0.8682406963196491,0.7860667534781715,0.8145539202247961
EOS-4-02974,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5n[nH]c(C(F)F)n5)c(F)c4)n23)c1,FYTHIXRWGTXJBJ-UHFFFAOYSA-N,4,1,0.484,47,712,474.353,3.905,5,0.294,0.68,1.0,0.7108063189637448,0.8217308614899596,0.8815108628606675,0.8535141525597971,0.8168905489685423
EOS-4-02975,Cc1cc(F)cnc1Oc1cncc2nnc(-c3cncc(-c4ncc(Cl)cn4)c3)n12,QDWJVIHITHCWCT-UHFFFAOYSA-N,4,1,0.364,2,491,434.822,3.932,5,0.419,0.71,1.0,0.7502998423685834,0.7284798848605305,0.482437804125831,0.47986772668083066,0.6102713145089439
EOS-4-02976,FC(F)Oc1ccc(-c2nnc3cncc(-c4cc(-c5cncnc5)cnn4)n23)cc1,GOWHQSABFXDSDY-UHFFFAOYSA-N,4,1,0.468,50,121,418.367,3.307,5,0.428,0.72,0.999,0.4395003769446919,0.528082379549037,0.8268367486806936,0.8017956274415736,0.6490537831539991
EOS-4-02977,O=C(c1ccc(-c2cncc3nnc(-c4ccncc4)n23)cc1F)N1CCc2cc(F)ccc21,RZHFJHWVQKNWDF-UHFFFAOYSA-N,4,1,0.51,62,648,454.44,4.334,6,0.406,0.84,1.0,0.309780001370708,0.25416352546090054,0.6208707422383661,0.6980758686861764,0.4707225344390378
EOS-4-02978,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)o1,IHTOJBPMUYYHIM-UHFFFAOYSA-N,4,1,0.593,43,96,436.378,3.707,5,0.397,0.79,1.0,0.8993214995545199,0.7727794530875197,0.6754506202453567,0.617135563018299,0.7411717839764238
EOS-4-02980,Clc1cc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)ccn1,RZVSDLSXHRDLGP-UHFFFAOYSA-N,4,1,0.554,90,385,421.675,4.163,4,0.45,0.71,1.0,0.8148773216366253,0.8466948804057296,0.7551658556644507,0.8603077239394147,0.8192614454115551
EOS-4-02982,Fc1cc(-c2nnc3cncc(CNCc4cc(F)c(Cl)c(F)c4)n23)ccc1-c1ncon1,HIJDOMURQDWXRR-UHFFFAOYSA-N,4,1,0.371,45,291,471.83,4.202,5,0.371,0.72,1.0,0.467505654170379,0.5236361455691865,0.9133198547049551,0.9206531423480228,0.7062786991981359
EOS-4-02983,CCc1nc(-c2nnc3cncc(OCCCC(F)(F)F)n23)ccc1-c1ncc(F)cn1,BWNPKDCXYGVHDP-UHFFFAOYSA-N,4,1,0.429,68,127,447.396,4.066,4,0.312,0.65,0.989,0.8045199095332739,0.7380405729559317,0.5510931396066068,0.4982180796381331,0.6479679254334864
EOS-4-02984,Fc1ccc(OCc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cc1Cl,CZSDPFIPNUFFGJ-UHFFFAOYSA-N,4,1,0.451,24,189,438.875,4.681,5,0.396,0.76,1.0,0.5511702419299568,0.695531492015626,0.7912583099170721,0.8128726612295251,0.712708176273045
EOS-4-02985,Fc1cnccc1CCOc1cncc2nnc(-c3cc(Cl)c(-c4nccs4)c(F)c3F)n12,URQJEFHHMFKXPF-UHFFFAOYSA-N,4,1,0.529,88,161,488.882,5.002,5,0.313,0.61,1.0,0.7763347268864369,0.9105527379891714,0.8863254746076349,0.898053594681653,0.8678166335412241
EOS-4-02986,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)[nH]n2)nc1,YCXOHKNUQPDWKA-UHFFFAOYSA-N,4,1,0.429,73,963,424.346,2.968,5,0.462,0.63,0.998,0.6807706805565075,0.42953704338290727,0.7046809677198272,0.7226029744362964,0.6343979165238846
EOS-4-02987,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)cc1F,HLCGEHLYYDWLTL-UHFFFAOYSA-N,4,1,0.554,54,294,417.379,3.501,5,0.432,0.67,1.0,0.735247755465698,0.585129531903228,0.7690614077170859,0.7766859708039202,0.7165311664724832
EOS-4-02988,Fc1ccc2oc(-c3ccc(-c4nnc5cncc(OCCc6ccncc6F)n45)cn3)nc2c1,QGBUKQGJYKJWPE-UHFFFAOYSA-N,4,1,0.471,84,56,471.427,4.289,6,0.354,0.76,1.0,0.9088393530258378,0.8843208142005345,0.6642450825851552,0.6635340278253719,0.7802348194092248
EOS-4-02989,OCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cn1,CODYPYKXLLDCJH-UHFFFAOYSA-N,4,1,0.836,90,281,416.268,3.607,4,0.517,0.86,1.0,0.9449061065040093,0.8994243026523199,0.8437735590432458,0.8620382427523816,0.8875355527379891
EOS-4-02990,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(Cl)c5)cc4F)n23)cc1F,JUFNLGWYODMHHI-UHFFFAOYSA-N,4,1,0.389,83,480,491.885,5.542,5,0.349,0.8,1.0,0.6411400863546022,0.6955400589404427,0.9399544239599753,0.9387207867863752,0.8038388390103488
EOS-4-02991,Fc1ncc(-c2ccc(-c3nnc4cncc(COc5cnnc(Cl)c5)n34)cc2)cn1,IQAAHZNJMOXACT-UHFFFAOYSA-N,4,1,0.4,14,351,434.822,3.41,5,0.387,0.66,1.0,0.5841357686244946,0.627295935850867,0.6618977451853882,0.6575286135288877,0.6327145157974093
EOS-4-02992,Oc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nc1,MZCYFCFXBIXKTB-UHFFFAOYSA-N,4,1,0.516,65,904,430.403,2.504,5,0.433,0.59,1.0,0.7849359194023713,0.7685902268521692,0.35172366527311355,0.30300356384072374,0.5520633438420944
EOS-4-02993,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5nncc(Cl)n5)n34)cc2F)nc1,SZLYNVCFIABVBL-UHFFFAOYSA-N,4,1,0.465,73,82,453.8,2.944,5,0.396,0.66,1.0,0.8737663628263999,0.8843293811253512,0.41802309642930574,0.5017476526626002,0.6694666232609143
EOS-4-02994,Fc1cc(CCOc2cncc3nnc(-c4cc(F)c(-c5nc[nH]n5)cc4F)n23)ccn1,NXPDCURBPKANFL-UHFFFAOYSA-N,4,1,0.54,47,164,438.373,3.01,5,0.406,0.52,1.0,0.8494277294222465,0.8139178260571586,0.7529555890617504,0.7387430607908985,0.7887610513330136
EOS-4-02995,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2F)nc1,XESCGXVBONIQKL-UHFFFAOYSA-N,4,1,0.627,37,141,431.406,3.543,5,0.406,0.78,1.0,0.9529504489068604,0.912574532245905,0.580434857103694,0.577419299568227,0.7558447844561716
EOS-4-02996,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)c(F)c2)nn1C,IEOBRUUMVMFQQF-UHFFFAOYSA-N,4,1,0.537,43,16,450.424,4.497,5,0.395,0.76,1.0,0.6624888629977383,0.7427181139058323,0.9002638612843533,0.8731752450140498,0.7946615208004935
EOS-4-02997,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,PXLNGDCLDWUMKV-UHFFFAOYSA-N,4,1,0.571,90,400,416.268,3.607,4,0.517,0.76,1.0,0.8737749297512165,0.9145706257281886,0.8232557741073264,0.8620468096771983,0.8684120348159825
EOS-4-02998,Cc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cccnc4)cc3)n12,SLQAVXSCMYHMEJ-UHFFFAOYSA-N,4,1,0.518,97,91,428.883,4.789,5,0.374,0.75,1.0,0.9148276334726887,0.8329106983757111,0.8039202247961071,0.7837708176273045,0.8338573435679529
EOS-4-02999,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,MPWODHISDLQMLF-UHFFFAOYSA-N,4,1,0.738,23,721,441.413,3.58,4,0.474,0.78,1.0,0.7621393324652183,0.5097148927421012,0.830666164073744,0.7670567473099856,0.7173942841477623
EOS-4-03000,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)ccc2F)nn1C,XWLBPZQRXUPJSH-UHFFFAOYSA-N,4,1,0.541,34,146,450.424,4.497,5,0.395,0.6,1.0,0.732360701802481,0.7855613049139881,0.9097474470564046,0.8884415050373518,0.8290277397025564
EOS-4-03001,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccsc1,PPVQDQJUGGCJQF-UHFFFAOYSA-N,4,1,0.649,35,234,417.469,4.675,5,0.402,0.77,1.0,0.9161640737440888,0.8869165924199849,0.7759063806456035,0.7719398944554863,0.8377317353162909
EOS-4-03002,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)n1,VHTLEAKDUJUZBT-UHFFFAOYSA-N,4,1,0.478,73,526,441.398,3.701,5,0.384,0.72,1.0,0.8045284764580906,0.8432595435542458,0.6386042766088684,0.6405575354670687,0.7317374580220685
EOS-4-03003,N#Cc1cc(-c2nnc3cncc(-c4ncc(-c5ncc(F)nn5)cn4)n23)ccc1Cl,FKEIKOSYJJGZJB-UHFFFAOYSA-N,4,1,0.385,50,261,430.794,2.764,5,0.423,0.71,1.0,0.3946610924542526,0.5900383798231786,0.4687221574943458,0.5838359262559112,0.509314389006922
EOS-4-03005,N#Cc1cc(-c2ccncn2)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,DCTVRMMHMAMPKZ-UHFFFAOYSA-N,4,1,0.484,4,675,442.389,3.372,5,0.381,0.68,1.0,0.6836320334452745,0.6615636351175382,0.8468747858268796,0.8190237132478926,0.7527735419093962
EOS-4-03006,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)cc4F)n23)c(F)c1F,SCWCLAVDPARVJO-UHFFFAOYSA-N,4,1,0.382,23,678,430.365,3.319,4,0.475,0.82,1.0,0.37190734014118293,0.4516996778836269,0.8920824480844356,0.8519549722431636,0.6419111095881023
EOS-4-03007,Cn1cnnc1-c1cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4)n23)ccc1F,PYBWUSQOWFNTKI-UHFFFAOYSA-N,4,1,0.636,13,252,423.358,3.796,5,0.437,0.75,1.0,0.7933657734219725,0.8177301076005757,0.8579775203892811,0.8683520663422658,0.8343563669385238
EOS-4-03008,Fc1cc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)ccc1-c1nc[nH]n1,ASXVKUZZVNHVEF-UHFFFAOYSA-N,4,1,0.571,47,164,438.373,3.01,5,0.434,0.64,1.0,0.9133712562538551,0.84983037488863,0.7305530806661641,0.7307072853128641,0.8061154992803783
EOS-4-03009,N#Cc1cc(-c2nnc3cncc(OCCc4cnc(Br)cn4)n23)ccc1Cl,TTWOIKAGIYTKBJ-UHFFFAOYSA-N,4,1,0.562,90,636,456.691,3.49,4,0.453,0.71,0.999,0.9329038448358578,0.9689705983140292,0.647642382290453,0.6980844356109931,0.8119003152628332
EOS-4-03010,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,ORNTYVLVCMEUIK-UHFFFAOYSA-N,4,1,0.54,11,0,470.892,4.863,5,0.33,0.69,1.0,0.9057638270166541,0.9337434034678912,0.8232643410321431,0.8369200191899115,0.87492289767665
EOS-4-03011,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)c(F)cn1,CXLSAKYDVJZSMC-UHFFFAOYSA-N,4,1,0.478,4,799,452.812,3.549,5,0.373,0.6,1.0,0.662497429922555,0.7148670413268453,0.7123569323555616,0.7387516277157151,0.7071182578301692
EOS-4-03012,N#Cc1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)c(F)c1,COKSDJRBIVPSDX-UHFFFAOYSA-N,4,1,0.422,23,678,396.788,4.207,4,0.559,0.9,1.0,0.364993831814132,0.5652114317044754,0.9705297786306627,0.9767836337468302,0.719379668974025
EOS-4-03013,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)c1F,VZJCDRRGYAFJAL-UHFFFAOYSA-N,4,1,0.448,58,262,450.384,3.077,5,0.364,0.63,1.0,0.8352580357754781,0.8791121239120006,0.4959906791857995,0.5117880885477349,0.6805372318552533
EOS-4-03015,Cc1cncc(COc2cncc3nnc(-c4cncc(-c5cc(F)ccn5)c4)n23)c1F,FOXXQLITVKXLAP-UHFFFAOYSA-N,4,1,0.455,2,422,431.406,3.809,5,0.418,0.65,1.0,0.7763432938112536,0.6273045027756836,0.7977948735521897,0.7595007196216846,0.7402358474402029
EOS-4-03016,COCc1cc(Cl)ccc1-c1nnc2cncc(-c3ccc(-c4cnc(F)cn4)cn3)n12,WCSXIALMCFOWDP-UHFFFAOYSA-N,4,1,0.341,96,274,447.861,4.249,5,0.397,0.73,0.972,0.4164296484134055,0.5851380988280447,0.7714087451168529,0.7743386334041532,0.6368287814406141
EOS-4-03017,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c(F)c1,WCQNCQDXYXITFL-UHFFFAOYSA-N,4,1,0.521,0,999,439.397,4.091,5,0.49,0.83,1.0,0.7561681858680008,0.8994328695771366,0.8437821259680625,0.8652165718593654,0.8411499383181413
EOS-4-03018,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(N)=O)cc4F)n23)cn1,ZJAOUVJYJICVPR-UHFFFAOYSA-N,4,1,0.394,68,364,413.363,2.522,4,0.538,0.6,1.0,0.2456651360427661,0.36888321568089916,0.6562435748063875,0.44589986978274276,0.42917294907819886
EOS-4-03019,Fc1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1-c1ncccn1,AWPJYQPKPIKZIY-UHFFFAOYSA-N,4,1,0.545,11,490,447.861,4.057,5,0.387,0.68,1.0,0.947390514700843,0.9555804948255774,0.6323418545678843,0.6840860804605579,0.8048497361387157
EOS-4-03020,COc1ncc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1-c1ccccc1,YIHNMHIDNWNMLN-UHFFFAOYSA-N,4,1,0.5,97,992,428.427,3.975,5,0.378,0.78,1.0,0.8582259612089644,0.6907939825920087,0.6833664587759578,0.5838444931807278,0.7040577239394147
EOS-4-03021,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)nc1Cl,SYJAXYSWJYCDSJ-UHFFFAOYSA-N,4,1,0.5,58,28,465.851,4.196,5,0.347,0.59,0.999,0.9104071002672881,0.9337519703927079,0.6619063121102049,0.6980930025358097,0.8010395963265027
EOS-4-03022,FC(F)c1cc(-c2nnc3cncc(OCc4cc(-c5cncnn5)ncn4)n23)ccc1Cl,JJERPZROLCMYCP-UHFFFAOYSA-N,4,1,0.453,27,633,467.827,3.603,5,0.369,0.6,0.985,0.7352563223905147,0.9105613049139881,0.7891594133369886,0.762019395517785,0.799249109039819
EOS-4-03023,Cc1ncc(COc2cncc3nnc(-c4ccnc(-c5cncc(Cl)c5)c4)n23)cc1F,NKPXJYQHDRRULF-UHFFFAOYSA-N,4,1,0.506,55,939,447.861,4.323,5,0.396,0.64,1.0,0.8446559522993626,0.7470358440134329,0.7736275786443698,0.7568278390788843,0.7805368035090123
EOS-4-03024,Fc1cc(Cl)c(Cl)nc1Oc1cncc2nnc(-c3ccc(-c4cncs4)nc3F)n12,BDFGQWOCBKEMCI-UHFFFAOYSA-N,4,1,0.367,13,143,478.271,5.082,5,0.333,0.52,1.0,0.7412874374614489,0.8397642382290453,0.7806610239188541,0.8288842437118772,0.7976492358303063
EOS-4-03025,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,LINWBKFABYEMIC-UHFFFAOYSA-N,4,1,1.0,48,948,411.824,3.304,4,0.525,0.85,1.0,0.6239291343979165,0.3254831745596601,0.8101826468370914,0.7696439586046193,0.6323097285998218
EOS-4-03026,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(COc3cnc(C(F)F)cn3)n12,AQLPLNYHSCOGMM-UHFFFAOYSA-N,4,1,0.375,68,487,439.361,3.022,5,0.429,0.61,1.0,0.50002570077445,0.6185234048385991,0.7253529573024468,0.6432989514084024,0.6218002535809746
EOS-4-03027,N#Cc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCc3ccc(F)c(C#N)n3)n12,XZIMPWRZLVHCKQ-UHFFFAOYSA-N,4,1,0.489,4,702,449.409,3.105,5,0.396,0.7,1.0,0.8281303543280104,0.8217394284147762,0.6942807209923926,0.6285638407237338,0.7431785861147283
EOS-4-03028,Fc1cccc(CCOc2cncc3nnc(-c4ccc(COC5CCCC5)cn4)n23)c1,JNPCSGUMWFDGKS-UHFFFAOYSA-N,4,1,0.5,63,683,433.487,4.406,5,0.41,0.89,1.0,0.6625059968473717,0.5417980261805222,0.22046981015694606,0.4393718730724419,0.4660364265643204
EOS-4-03029,COc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1cnn(C)c1,HQKLPSPFSOZHIS-UHFFFAOYSA-N,4,1,0.494,13,724,468.851,4.924,5,0.364,0.69,1.0,0.6530481118497704,0.6955486258652595,0.9338547734905078,0.8910115824823521,0.7933657734219723
EOS-4-03030,CCc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ccccn1,PYCMRQZRRYYPDL-UHFFFAOYSA-N,4,1,0.398,13,145,430.418,4.881,5,0.395,0.7,0.779,0.6071379617572477,0.6758446987869234,0.6888064560345418,0.6927044068261257,0.6661233808512096
EOS-4-03031,CC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)cc1,ZFNMVXMOTHWLGE-UHFFFAOYSA-N,4,1,0.518,48,678,409.396,4.207,4,0.461,0.87,1.0,0.38583715989308476,0.36889178260571587,0.862492289767665,0.720058597765746,0.5843199575080529
EOS-4-03032,O=C(c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cn4)n23)cc1F)N1CCCC1,DJOMMNSTBVJHOV-UHFFFAOYSA-N,4,1,0.404,0,825,454.412,3.83,5,0.456,0.84,0.998,0.32481495442395997,0.4605321773696114,0.15696319649098758,0.4077342197244877,0.33751113700226165
EOS-4-03033,FC(F)Oc1cccc(NCc2cncc3nnc(-c4cnc(Cl)nc4)n23)c1,YGFXXUSDDROUKQ-UHFFFAOYSA-N,4,1,0.446,68,861,403.78,3.448,4,0.493,0.83,1.0,0.29686107874717294,0.42067027619765607,0.8141319991775752,0.7743472003289699,0.5765026386128436
EOS-4-03034,COc1ccc(-c2nnc3cncc(OCc4cccc(C)n4)n23)cc1-c1cc(F)cc(F)c1Cl,KYZRYSGNHKTEMF-UHFFFAOYSA-N,4,1,0.551,57,92,493.901,5.681,5,0.283,0.79,1.0,0.9025340963607703,0.8869251593448015,0.9445976972106093,0.9108782811322048,0.9112338085120965
EOS-4-03035,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)ccc1F,JJJWJYSBPGEREK-UHFFFAOYSA-N,4,1,0.523,75,183,424.399,3.233,5,0.422,0.69,1.0,0.6746367623877733,0.6858165992735248,0.6619148790350216,0.6048505928311974,0.6568047083818792
EOS-4-03036,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1ncc(Cl)cn1,YMZAJDIRMWADPJ-UHFFFAOYSA-N,4,1,0.506,73,325,483.294,4.106,5,0.333,0.67,1.0,0.962965184017545,0.9628795147693784,0.5641062984031252,0.637610513330135,0.7818903776300459
EOS-4-03037,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)nn2)cn1,HBFDNLRCAOAOHY-UHFFFAOYSA-N,4,1,0.386,54,251,452.812,4.071,5,0.402,0.6,0.979,0.7473699540812829,0.6955571927900761,0.6590278253718045,0.6840946473853745,0.6965124049071345
EOS-4-03038,COc1cc(C(=O)c2ccccc2)ccc1-c1cncc2nnc(-c3ccc(Cl)cn3)n12,NHPJILIZWURYMX-UHFFFAOYSA-N,4,1,0.337,62,586,441.878,4.746,5,0.366,0.75,1.0,0.3946696593790693,0.4605407442944281,0.7408590912206154,0.722611541361113,0.5796702590638064
EOS-4-03039,Fc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1nc[nH]n1,UHOUKFXAPXXLLJ-UHFFFAOYSA-N,4,1,0.527,47,164,438.373,3.01,5,0.406,0.59,1.0,0.902542663285587,0.8678980193269824,0.7529641559865671,0.7278544993489137,0.8128148344870125
EOS-4-03041,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1-c1cncs1,IHJPEVZYDZMOEM-UHFFFAOYSA-N,4,1,0.557,97,91,438.875,4.681,5,0.371,0.7,1.0,0.837836680145295,0.8869337262696183,0.8452813378109794,0.8568381193886643,0.8567224659036392
EOS-4-03042,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,PCDAFGOANNWDTK-UHFFFAOYSA-N,4,1,0.645,35,393,417.469,4.675,5,0.402,0.74,1.0,0.867212665341649,0.8948495648002193,0.7851929271468714,0.7792817490233706,0.8316342265780275
EOS-4-03043,CC(NC(=O)c1ccc(-c2nnc3cncc(Br)n23)c(Cl)c1)c1ccc(F)cc1,SPFMMUGNVVLVIK-UHFFFAOYSA-N,4,1,0.522,23,646,474.721,4.837,4,0.459,0.82,1.0,0.4075628812281543,0.4870125419779316,0.9315160030155575,0.9186056473168391,0.6861742683846206
EOS-4-03044,COc1ncc(F)cc1COc1cncc2nnc(-c3ccnc(-c4ccnc(F)c4)c3)n12,QDHNLCRRYLAWND-UHFFFAOYSA-N,4,1,0.462,75,183,447.405,3.509,5,0.365,0.64,1.0,0.7877116030429717,0.622781166472483,0.6833750257007745,0.5774278664930437,0.6678239154273182
EOS-4-03045,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)cn2)nc1,HKXLNEPLIYYOEE-UHFFFAOYSA-N,4,1,0.482,55,332,431.406,3.809,5,0.418,0.71,1.0,0.8559043245836474,0.8139263929819752,0.6754591871701734,0.6492015626070866,0.7486228668357207
EOS-4-03046,Fc1cc(F)c(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1ccsc1,WVURKXFXVAJHJN-UHFFFAOYSA-N,4,1,0.494,4,799,456.865,4.82,5,0.377,0.64,1.0,0.6836406003700911,0.7979405112740731,0.8548762936056473,0.8842522788020012,0.8051774210129532
EOS-4-03047,Fc1ccc(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)nc1-c1cncnc1,KEGREYXFRUQBNJ-UHFFFAOYSA-N,4,1,0.477,7,434,435.81,2.805,5,0.384,0.67,1.0,0.6591391953944212,0.7558083750257008,0.4365276540333082,0.45224796107189363,0.5759307963813309
EOS-4-03049,OCc1ncc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cc1F,JNIWBPHUPXZBPR-UHFFFAOYSA-N,4,1,0.429,2,419,464.848,2.902,5,0.403,0.66,1.0,0.7294822150640806,0.6663782468645055,0.5306867246933041,0.5421578370228223,0.6171762559111781
EOS-4-03050,Fc1cc(F)c(F)c(CNCc2cncc3nnc(-c4ccc(-c5ncsn5)c(F)c4)n23)c1,RYJAVFIZEFZZIL-UHFFFAOYSA-N,4,1,0.366,45,291,471.443,4.156,5,0.296,0.66,1.0,0.40105201836748683,0.4386008498389418,0.8907545747378521,0.8992186964567199,0.6574065348502502
EOS-4-03051,N#Cc1ccncc1-c1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)c(F)c1,DSICGEVKVNHIRG-UHFFFAOYSA-N,4,1,0.523,35,795,438.426,3.276,5,0.397,0.7,1.0,0.879694674799534,0.9183400726475225,0.6118069357823316,0.6111644164210814,0.7552515249126175
EOS-4-03052,Fc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)c(F)cn1,NFTAYJYFPGZIFA-UHFFFAOYSA-N,4,1,0.466,24,486,457.853,4.215,5,0.365,0.54,0.999,0.7988657391542732,0.7727880200123364,0.7759149475704201,0.7884140908779385,0.783995699403742
EOS-4-03053,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cnccn1,BWAZFUVFTGTIDU-UHFFFAOYSA-N,4,1,0.558,37,141,447.861,4.057,5,0.387,0.6,1.0,0.9371616064697417,0.942438832156809,0.709744020286478,0.7438575149064491,0.8333004934548695
EOS-4-03054,Cc1ccnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)n1,UNTHSPMXLPEGKY-UHFFFAOYSA-N,4,1,0.461,13,110,417.379,4.022,5,0.436,0.81,1.0,0.7352648893153314,0.7641182920978685,0.6808220821054074,0.6492101295319033,0.7073538482626276
EOS-4-03055,Fc1cnc(F)c(COc2cncc3nnc(-c4ccnc(-c5csc(F)n5)c4)n23)c1,APHKEMBISMIEEF-UHFFFAOYSA-N,4,1,0.488,24,912,441.398,3.701,5,0.384,0.6,1.0,0.8378452470701118,0.7193561099307793,0.717402851072579,0.6895689123432253,0.7410432801041739
EOS-4-03056,N#Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)cn1,VCITUEKZQYCKCP-UHFFFAOYSA-N,4,1,0.521,65,981,439.414,2.671,5,0.367,0.67,1.0,0.9189226235350558,0.9337605373175245,0.4615602083476115,0.4173548762936056,0.6828995613734494
EOS-4-03057,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccnc(F)c5)n4)n23)cc1F,CNXLKUSUROTLDR-UHFFFAOYSA-N,4,1,0.35,96,140,447.38,3.432,5,0.423,0.72,1.0,0.28570694263587143,0.3689003495305325,0.8001422109519567,0.7930487972037558,0.5619495750805291
EOS-4-03058,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)cc4F)n23)cc1Cl,QAWYSSFPODANIN-UHFFFAOYSA-N,4,1,0.427,23,678,428.83,3.695,4,0.506,0.86,1.0,0.4010605852923035,0.4782657117401138,0.8232729079569597,0.8018041943663903,0.6261008498389418
EOS-4-03059,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccnc(C5CCCC5)c4)n23)cn1,LHMMAFIHHCEBMM-UHFFFAOYSA-N,4,1,0.34,78,364,421.455,4.336,5,0.477,0.69,1.0,0.35348845178534716,0.27982146528682067,0.1298403125214173,0.19933520663422657,0.24062135905695295
EOS-4-03060,Fc1cncc(Oc2cncc(-c3nnc4cncc(OCCc5ccncc5)n34)c2)c1,SBVAOCRRXZYMIA-UHFFFAOYSA-N,4,1,0.527,35,393,429.415,3.529,5,0.387,0.77,1.0,0.7961671578370229,0.7333373312315811,0.6294205332054006,0.5711483106024261,0.6825183332191077
EOS-4-03061,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4cnccn4)nn3)n12,BSOJCBJGOVYMIA-UHFFFAOYSA-N,4,1,0.437,54,411,434.822,3.41,5,0.414,0.78,0.997,0.7532725652799671,0.7284884517853472,0.6088856144198479,0.6635425947501885,0.6885473065588377
EOS-4-03062,Fc1cc(-c2cncnc2Cl)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,RKMFXEWBAJCOTI-UHFFFAOYSA-N,4,1,0.462,4,208,469.267,4.063,5,0.355,0.66,1.0,0.7821259680625042,0.8560156946062641,0.7529727229113837,0.8128812281543417,0.8009989034336235
EOS-4-03063,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c(F)n2)nc1,IGEKGGMEOYTYCM-UHFFFAOYSA-N,4,1,0.479,73,263,450.384,3.077,5,0.364,0.6,1.0,0.8517664998971969,0.8815793982592008,0.4438266739771092,0.4768264683709136,0.6634997601261051
EOS-4-03064,Fc1ccnc(F)c1COc1cncc2nnc(-c3cnnc(-c4ccncc4)c3)n12,PUHIHJNFFRELBI-UHFFFAOYSA-N,4,1,0.438,55,875,418.367,2.896,5,0.402,0.51,1.0,0.6807792474813241,0.5900469467479953,0.6562521417312042,0.6405661023918854,0.6419111095881023
EOS-4-03065,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)c(F)n2)nc1,QWTRJVIITKTHRM-UHFFFAOYSA-N,4,1,0.495,73,263,450.384,3.077,5,0.364,0.64,1.0,0.8694314988691659,0.889546638338702,0.48929134397916524,0.5153347954218354,0.690901069152217
EOS-4-03066,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(F)c4)n23)ccc1F,PSHTYFOJFVLNOB-UHFFFAOYSA-N,4,1,0.59,1,92,430.418,4.414,5,0.411,0.78,1.0,0.8072013570008909,0.7513535741210335,0.8101912137619081,0.7743557672537866,0.7857754780344048
EOS-4-03067,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(Cl)nc(-c5cccnn5)c4)n23)n1,KRTNCIWCVUOLHE-UHFFFAOYSA-N,4,1,0.442,73,964,453.8,2.944,5,0.292,0.63,0.697,0.6684514426701391,0.7102666027002947,0.4581934068946611,0.49822664656294974,0.5837845247070111
EOS-4-03068,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnsn5)nc4Cl)n23)c1F,NXWAVVXWFDIEJZ-UHFFFAOYSA-N,4,1,0.494,59,910,457.853,4.215,5,0.365,0.59,0.999,0.8424371187718457,0.8432681104790625,0.7618908916455349,0.8150486601329586,0.8156611952573504
EOS-4-03069,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(Cl)n5)n34)cn2)nc1,OWCIRFCOBDXHNS-UHFFFAOYSA-N,4,1,0.444,73,930,453.8,2.944,5,0.396,0.67,0.998,0.7473785210060997,0.8217479953395929,0.4002895620588034,0.4363648824617915,0.6014452402165719
EOS-4-03070,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)ncc1Cl,CWDFNGNFCQRFDD-UHFFFAOYSA-N,4,1,0.505,11,0,471.279,4.909,5,0.348,0.61,1.0,0.8446645192241793,0.8139349599067919,0.8504386265506134,0.8858371598930848,0.8487188163936674
EOS-4-03071,Fc1cnccc1-c1nnc2cncc(-c3ccc(Oc4nccnc4F)cn3)n12,LWMORUFEXOLLOL-UHFFFAOYSA-N,4,1,0.325,50,914,404.34,3.109,5,0.45,0.67,0.953,0.5511788088547734,0.6565776848742375,0.5511017065314234,0.515343362346652,0.5685503906517716
EOS-4-03072,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5F)n34)c(F)n2)nc1,FVMOTKQGPHDJHW-UHFFFAOYSA-N,4,1,0.5,58,263,451.372,2.472,5,0.359,0.63,1.0,0.887173600164485,0.886942293194435,0.3704081282982661,0.3952779110410527,0.6349504831745596
EOS-4-03073,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,ADFKBJDTENDYJQ-UHFFFAOYSA-N,4,1,0.628,35,234,417.469,4.675,5,0.402,0.76,1.0,0.8815365636351176,0.8869508601192516,0.7595007196216846,0.7620279624426016,0.8225040264546639
EOS-4-03074,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1C#Cc1cnccn1,SZPJVWBAAHBUFY-UHFFFAOYSA-N,4,1,0.489,7,390,458.844,3.143,5,0.299,0.59,1.0,0.6897231169899253,0.8924165581522857,0.6917020766225755,0.640574669316702,0.7286041052703721
EOS-4-03075,Cc1nc(-c2cccc(F)c2F)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,PZONLNRFHBTQOE-UHFFFAOYSA-N,4,1,0.545,11,201,444.445,4.456,5,0.385,0.82,1.0,0.9229405112740731,0.8217565622644095,0.7690699746419025,0.7492204098416833,0.815746864505517
EOS-4-03076,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1cncs1,DBXIBTQGMUBUFH-UHFFFAOYSA-N,4,1,0.536,97,103,451.458,4.781,5,0.37,0.73,1.0,0.9104156671921048,0.8560242615310808,0.9002724282091701,0.8501730518812967,0.8792213522034131
EOS-4-03077,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cn1,CWBBIILOYYHKBV-UHFFFAOYSA-N,4,1,0.571,90,385,421.675,4.163,4,0.45,0.67,1.0,0.8470546912480296,0.952573504214927,0.7482523473373998,0.8586714412994312,0.8516379960249469
EOS-4-03078,Cc1ccc(-c2nnc3cncc(COc4ccnc(C(F)(F)F)n4)n23)cc1C,ULMDAISXOWGLHE-UHFFFAOYSA-N,4,1,0.419,66,455,400.364,3.796,4,0.519,0.82,1.0,0.6043794119662805,0.6322047837708177,0.8652936741827154,0.6285724076485505,0.682612569392091
EOS-4-03079,Cc1ccnc(COc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)c1,JBAHNQRIMLBPLW-UHFFFAOYSA-N,4,1,0.582,90,255,401.804,4.665,4,0.486,0.8,1.0,0.7877201699677884,0.932406963196491,0.9590586663011446,0.9405284079226921,0.904928551847029
EOS-4-03080,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)cc1,SHGBTSRRADJRJQ-UHFFFAOYSA-N,4,1,0.561,43,520,451.412,4.066,5,0.362,0.59,1.0,0.8582345281337811,0.772796586937153,0.8306747309985607,0.8061390583236242,0.8169612260982797
EOS-4-03081,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nc3)n12,IHVQGGMOYDIESX-UHFFFAOYSA-N,4,1,0.512,97,992,438.875,4.681,5,0.371,0.7,1.0,0.8378538139949284,0.8432766774038791,0.7783222534439038,0.7884226578027551,0.8119688506613666
EOS-4-03083,COc1cc(-c2nnc3cncc(CNCc4cc(F)cc(F)c4F)n23)ccc1-c1cscn1,ASTYLXHKOJQQPR-UHFFFAOYSA-N,4,1,0.361,14,291,482.491,4.631,5,0.341,0.77,1.0,0.5099119320128846,0.5056370365293674,0.8932132821602358,0.8466349119320129,0.6888492906586252
EOS-4-03084,OCc1cc(COc2cncc3nnc(-c4ccnc(-c5cccc(F)c5)c4)n23)ccn1,HIRFJNJWJZMTPA-UHFFFAOYSA-N,4,1,0.506,97,183,428.427,3.459,5,0.442,0.7,1.0,0.6439843053937359,0.5851466657528613,0.7643324652182852,0.7200671646905626,0.6783826502638612
EOS-4-03085,Fc1ccc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)cc1-c1ncon1,AAFODBJRLABOJU-UHFFFAOYSA-N,4,1,0.537,73,82,425.33,3.233,5,0.423,0.67,1.0,0.9119662805839216,0.7769686793228703,0.8287985744637105,0.8150572270577754,0.8331976903570695
EOS-4-03086,Fc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1-c1cscn1,RBXZFZFZSDXISJ-UHFFFAOYSA-N,4,1,0.539,11,275,454.437,4.349,5,0.355,0.65,1.0,0.9255362894935234,0.9166095538345556,0.8194691933383592,0.810551024604208,0.8680415153176615
EOS-4-03087,Fc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cnccn1,FROXTFYXLJBQKF-UHFFFAOYSA-N,4,1,0.578,65,361,414.404,2.799,5,0.418,0.64,1.0,0.920284764580906,0.894858131725036,0.49599924611061613,0.47683503529573024,0.6969942944280721
EOS-4-03088,Fc1cnc(F)c(COc2cncc3nnc(-c4cc(-c5nccs5)ncc4F)n23)c1,SROULLYHYFOWJH-UHFFFAOYSA-N,4,1,0.449,24,199,441.398,3.701,5,0.384,0.58,1.0,0.8072099239257077,0.7937855527379891,0.680830649030224,0.6780806661640737,0.7399766979644986
EOS-4-03089,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,WSGORGRVZANKJZ-UHFFFAOYSA-N,4,1,0.512,24,332,438.875,4.681,5,0.396,0.79,1.0,0.8045370433829073,0.8361832636556782,0.782931258995271,0.815065793982592,0.8096793400041122
EOS-4-03090,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nn5)n34)cc2F)nc1,NSICQBSIRCDQIZ-UHFFFAOYSA-N,4,1,0.511,37,132,450.384,3.077,5,0.389,0.63,1.0,0.9255448564183401,0.9145791926530052,0.5511102734562402,0.5743437735590432,0.7413945240216572
EOS-4-03091,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c(F)cn1,LHEFLQGXMUOTFV-UHFFFAOYSA-N,4,1,0.528,47,164,438.373,3.01,5,0.406,0.59,1.0,0.9025512302104036,0.8592282914125146,0.7551744225892674,0.7387601946405319,0.8139285347131794
EOS-4-03092,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3c(F)cncc3F)n12,SFRRWYHVZMXWSE-UHFFFAOYSA-N,4,1,0.56,47,164,438.373,3.01,5,0.434,0.7,1.0,0.9057723939414708,0.8432852443286958,0.7279915701459804,0.72531868960318,0.8005919745048318
EOS-4-03093,Cc1cnc(-c2ccc(-c3nnc4cncc(Cc5ccc(C(F)F)cn5)n34)cc2)cn1,DJZPLVWKCXZNNC-UHFFFAOYSA-N,4,1,0.37,14,81,429.434,4.48,5,0.41,0.69,1.0,0.34905935165512986,0.37355218970598314,0.8232814748817764,0.7542149270098005,0.5750269858131725
EOS-4-03094,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5nccc(Cl)c5F)n34)nc2)nc1,PBPNAYYTBKSYLL-UHFFFAOYSA-N,4,1,0.426,46,162,465.851,4.196,5,0.371,0.63,0.995,0.8174302652319924,0.8432938112535124,0.728000137070797,0.7792903159481872,0.7920036323761223
EOS-4-03095,Fc1cc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)cnc1F,CFZRCFGQRZOURS-UHFFFAOYSA-N,4,1,0.44,2,875,418.367,2.896,5,0.402,0.69,1.0,0.6897316839147419,0.5946902199986293,0.6888150229593585,0.6463916112672196,0.6549071345349873
EOS-4-03096,Fc1cncc(F)c1COc1cncc2nnc(-c3cccc(-c4cncs4)c3)n12,IOBRTBMDIATYLK-UHFFFAOYSA-N,4,1,0.525,97,980,422.42,4.167,5,0.423,0.71,1.0,0.7589267356589678,0.6185319717634158,0.8101997806867247,0.7975635665821397,0.7463055136728121
EOS-4-03097,COc1ncc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)cc1-c1ccncc1,JHCBFFIVVSMILD-UHFFFAOYSA-N,4,1,0.433,2,657,447.405,3.509,5,0.365,0.63,1.0,0.8352666027002947,0.6758532657117401,0.755182989514084,0.6405832362415187,0.7267215235419094
EOS-4-03098,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)n5)n34)cn2)nc1,LOTHYTWYLWMEJY-UHFFFAOYSA-N,4,1,0.505,73,930,450.384,3.077,5,0.364,0.66,1.0,0.8853317113289014,0.9220324172435063,0.5442138989788226,0.5352700294702214,0.7217120142553629
EOS-4-03099,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)cnc1Cl,QTJFPQNZNHSOEL-UHFFFAOYSA-N,4,1,0.557,97,91,438.875,4.681,5,0.371,0.64,1.0,0.8797032417243507,0.7641268590226852,0.8520834761154136,0.8535227194846138,0.8373590740867658
EOS-4-03100,Cc1cnc(-c2ccc(-c3nnc4cncc(COc5ccc(F)cc5F)n34)cn2)nc1,CRGVKSGQNODPRR-UHFFFAOYSA-N,4,1,0.394,14,767,431.406,3.809,5,0.418,0.77,1.0,0.6352631759303681,0.6565862517990542,0.6590363922966213,0.622961071893633,0.6434617229799191
EOS-4-03101,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ncccn4)nn3)n12,FXMALOMYFBQFKH-UHFFFAOYSA-N,4,1,0.429,54,411,434.822,3.41,5,0.414,0.74,0.999,0.7621478993900349,0.7193646768555959,0.47893393187581385,0.57435234048386,0.6336997121513261
EOS-4-03102,Cc1cc(-c2cncc3nnc(-c4cnc(-c5ccnc(Cl)c5)nc4)n23)cnc1F,QPDPPYHBTXFRBX-UHFFFAOYSA-N,4,1,0.347,82,489,418.823,3.806,5,0.411,0.8,1.0,0.3301093139606607,0.3735607566307998,0.6264392433692002,0.6519858131725036,0.4955237817832911
EOS-4-03103,Fc1cnccc1-c1cc2nc(-c3cncc4nnc(-c5cccc(C(F)F)n5)n34)ccn2n1,AGNHJZOGIARACW-UHFFFAOYSA-N,4,1,0.261,10,315,459.395,4.035,6,0.392,0.64,0.758,0.22374237543691317,0.36389726543759854,0.7097525872112946,0.7226201082859297,0.505003084092934
EOS-4-03104,Fc1cc(-c2ncccc2COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)ccn1,DASMPPPAVTVMMA-UHFFFAOYSA-N,4,1,0.451,28,942,481.516,5.09,6,0.306,0.65,1.0,0.7473870879309163,0.6227897333972997,0.6780206976903571,0.6433075183332191,0.672876259337948
EOS-4-03107,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cn1,NZYLHPOBBIFEGB-UHFFFAOYSA-N,4,1,0.684,90,281,401.804,4.048,4,0.472,0.78,1.0,0.9568226989239943,0.9696730861489959,0.9230947159207731,0.9130371461860051,0.9406569117949422
EOS-4-03108,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cncc5F)n34)c(F)n2)nc1,OLPURZQODIAOGX-UHFFFAOYSA-N,4,1,0.518,65,263,464.411,3.386,5,0.352,0.66,1.0,0.9041703790007539,0.9065091494757042,0.5306952916181208,0.5153519292714687,0.7141816873415119
EOS-4-03109,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)nc4Cl)n23)cc(F)n1,IJIPPRYKUBNJRV-UHFFFAOYSA-N,4,1,0.556,58,28,455.812,3.789,5,0.356,0.54,1.0,0.8629463367829484,0.7855698718388048,0.6118155027071482,0.6229696388184497,0.7208253375368378
EOS-4-03110,COc1cc(-c2nnc3cncc(CNc4ccc(F)cc4)n23)ccc1-c1ccncc1,TYGBSLITHYVJKU-UHFFFAOYSA-N,4,1,0.398,14,257,426.455,4.613,5,0.427,0.85,1.0,0.30978856829552465,0.22377664313617984,0.8160938249605921,0.7334915358782811,0.5207876430676445
EOS-4-03111,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)c(C(F)F)n4)n23)ccn1,PZUGGZJDEYTVKR-UHFFFAOYSA-N,4,1,0.441,18,578,453.384,3.935,5,0.342,0.53,0.999,0.7961757247618395,0.6711328901377561,0.6808392159550408,0.5868429168665615,0.6837476869302995
EOS-4-03112,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)nc1,QMDTYWJFDIILPU-UHFFFAOYSA-N,4,1,0.575,11,275,463.328,5.177,5,0.346,0.72,1.0,0.9457799328353095,0.9353796861078747,0.7806695908436707,0.8448444246453293,0.876668408608046
EOS-4-03113,Fc1cnccc1-c1ccc(-c2nnc3cncc(OCCc4nccnc4F)n23)c(Cl)n1,SOSXLBGPIHMDBW-UHFFFAOYSA-N,4,1,0.453,87,143,466.839,3.591,5,0.35,0.59,1.0,0.8072184908505243,0.864942430265232,0.5205777534096361,0.5959838256459461,0.6971806250428346
EOS-4-03114,C#CCc1ccc(COc2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)nc4)n23)cc1,LOUPMNUIEQZVJN-UHFFFAOYSA-N,4,1,0.456,89,230,452.905,4.656,5,0.275,0.76,1.0,0.7139075457473785,0.7769772462476869,0.8723099856075663,0.8448529915701459,0.8020119422931944
EOS-4-03115,Fc1cnccc1-c1nnc2cncc(OCc3ccc(F)c(-c4cncnc4)n3)n12,FVCAYLAAASKZEY-UHFFFAOYSA-N,4,1,0.489,2,817,418.367,2.896,5,0.429,0.65,1.0,0.5841443355493112,0.6137344938660818,0.6059642930573641,0.5930025358097457,0.5992114145706258
EOS-4-03116,N#Cc1cc(-c2nnc3cncc(-c4ncc(-c5ccnc(F)c5)nn4)n23)ccc1Cl,IHKKLQDDKYZLMK-UHFFFAOYSA-N,4,1,0.354,22,216,429.806,3.369,5,0.4,0.66,0.928,0.3582859296826811,0.5745750805290932,0.7203156055102461,0.8061476252484409,0.6148310602426152
EOS-4-03117,Fc1ccc(-c2nnc3cncc(OCc4ccnc(F)c4F)n23)cc1-c1ncon1,NJXAYEDEBGVDNG-UHFFFAOYSA-N,4,1,0.524,73,82,425.33,3.233,5,0.396,0.66,0.999,0.8815451305599342,0.7855784387636214,0.8177215406757591,0.7930573641285724,0.8194756185319717
EOS-4-03118,Fc1cc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)c(Cl)c1F,JADWMCOENYDUQW-UHFFFAOYSA-N,4,1,0.494,73,577,459.775,3.886,5,0.288,0.6,1.0,0.7791960797752039,0.714875608251662,0.882761633883901,0.884260845726818,0.8152735419093962
EOS-4-03119,Fc1ccnc(F)c1COc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,BHIATMFUABHLBW-UHFFFAOYSA-N,4,1,0.424,2,875,418.367,2.896,5,0.402,0.64,1.0,0.6867589610033582,0.5946987869234459,0.6504523336303201,0.6317336029059009,0.6409109211157562
EOS-4-03120,Cc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3c(F)cccc3Cl)n12,IBARCFBDLQVRBM-UHFFFAOYSA-N,4,1,0.482,59,332,447.861,4.323,5,0.396,0.76,1.0,0.820197381947776,0.8217651291892263,0.6917106435473922,0.7093585086697279,0.7607579158385307
EOS-4-03121,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4F)n23)cc1F,VTYVGBBGGIUQPK-UHFFFAOYSA-N,4,1,0.512,59,607,461.407,4.06,5,0.392,0.66,1.0,0.9057809608662875,0.8815879651840175,0.9440237132478926,0.9186142142416558,0.9125017133849633
EOS-4-03122,Fc1cc(-c2cscc2-c2ccccc2)ccc1-c1nnc2cncc(Nc3cncnc3)n12,WNKOXRYJHDWVSN-UHFFFAOYSA-N,4,1,0.402,41,696,465.517,5.86,6,0.344,0.67,1.0,0.025478034404770065,0.08897608114591186,0.7871376190802549,0.7837793845521211,0.4213427797957645
EOS-4-03123,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,ONPCAIJEEJTZNU-UHFFFAOYSA-N,4,1,0.585,90,400,411.252,3.986,4,0.494,0.72,1.0,0.9652696867932287,0.9745133986704133,0.8709307107120828,0.9073572750325544,0.9295177678020697
EOS-4-03125,COc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cnc(C)o5)c4)n23)c(F)c1,JQRNHQKAJKEAEQ-UHFFFAOYSA-N,4,1,0.429,14,358,449.873,5.147,5,0.369,0.78,1.0,0.6655129874580221,0.7333458981563977,0.8838753341100678,0.8483996984442465,0.7827834795421835
EOS-4-03126,Fc1cc(F)c(F)c(CNCc2cncc3nnc(-c4ccc(-c5ncno5)cc4)n23)c1,ALHZSRFAQLQNPW-UHFFFAOYSA-N,4,1,0.353,14,291,437.385,3.548,5,0.406,0.75,1.0,0.4164382153382222,0.45614591186347747,0.8535312864094304,0.8350695634295113,0.6402962442601603
EOS-4-03127,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(-c5ccnc(C#N)n5)nc4)n23)cn1,UVRJGUPBLBTDEQ-UHFFFAOYSA-N,4,1,0.33,85,976,456.42,3.007,5,0.391,0.6,1.0,0.30192413131382356,0.37356932355561645,0.4720461243232129,0.30640463299294085,0.36348605304639847
EOS-4-03128,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)c1,DVKHNYMKNYTQJG-UHFFFAOYSA-N,4,1,0.506,16,939,428.452,4.505,5,0.409,0.71,1.0,0.8378623809197451,0.6955657597148928,0.8920910150092523,0.8800630525666506,0.8263955520526352
EOS-4-03129,Fc1cnccc1CCOc1cncc2nnc(-c3cc(F)c(-c4nc[nH]n4)c(F)c3)n12,GLGUFLNBLMYEIU-UHFFFAOYSA-N,4,1,0.558,47,164,438.373,3.01,5,0.434,0.65,1.0,0.8925707627989857,0.7898876019464053,0.7408676581454321,0.7387687615653485,0.7905236961140428
EOS-4-03130,Fc1cnccc1-c1nnc2cncc(OCc3ccc(F)c(-c4cnccn4)n3)n12,DOPOGBVMVXEJTF-UHFFFAOYSA-N,4,1,0.5,73,540,418.367,2.896,5,0.429,0.63,1.0,0.6043879788910973,0.6227983003221164,0.5307038585429374,0.5251096566376533,0.5707499485984511
EOS-4-03131,Fc1cncc(Cl)c1COc1cncc2nnc(-c3cc(-c4cccnn4)cnn3)n12,SKQDVNUHTWXXEQ-UHFFFAOYSA-N,4,1,0.404,53,511,435.81,2.805,5,0.41,0.62,1.0,0.6411486532794188,0.5798780069906107,0.4789424988006305,0.5515814543211569,0.5628876533479542
EOS-4-03132,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Br)c(Cl)n4)n23)cn1,LCPUOLWAEUPWJA-UHFFFAOYSA-N,4,1,0.571,90,385,466.126,4.272,4,0.409,0.67,1.0,0.8494362963470633,0.9505088753341101,0.6670121993009389,0.7719484613803029,0.8097264580906038
EOS-4-03133,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,YUGTWCSKTIJVOJ-UHFFFAOYSA-N,4,1,0.747,91,660,412.428,4.009,5,0.419,0.81,1.0,0.9175090809403057,0.955589061750394,0.704689534644644,0.7063600849838941,0.8210369405798096
EOS-4-03134,Oc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)nc1,OVBUSSSJMNOQDA-UHFFFAOYSA-N,4,1,0.511,65,262,430.403,2.504,5,0.405,0.56,0.999,0.7933743403467891,0.7855870056884381,0.30007367555342335,0.2581471455006511,0.5342955417723254
EOS-4-03135,OCc1cnc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cc1F,QCCJIOXHKAFWDZ-UHFFFAOYSA-N,4,1,0.429,90,473,418.791,2.627,4,0.514,0.63,0.928,0.6411572202042355,0.6088085120964979,0.7714173120416695,0.7884312247275718,0.7024535672674936
EOS-4-03136,Cc1cc(-c2cncc3nnc(-c4ccc(C(=O)NCCC(F)(F)F)c(F)c4)n23)ncc1F,RFVUVRWVOLARQH-UHFFFAOYSA-N,4,1,0.318,66,999,462.382,4.122,4,0.451,0.78,1.0,0.3650023987389487,0.41620690836817215,0.939962990884792,0.8992272633815366,0.6550998903433624
EOS-4-03137,FC(F)c1cc(-c2nnc3cncc(OCCc4ccnc(-c5ccco5)n4)n23)ccc1Cl,LAWSYJCZDHJIRU-UHFFFAOYSA-N,4,1,0.533,11,490,468.851,5.054,5,0.33,0.62,1.0,0.9255534233431567,0.9353882530326914,0.8340758001507779,0.8150743609074087,0.8775229593585088
EOS-4-03138,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc5cc(F)N(CC(F)C4)C5=O)n23)cc1F,RLMCGDFPNQCBDP-UHFFFAOYSA-N,4,1,0.373,78,792,452.396,2.734,5,0.615,0.51,0.029,0.315014392433692,0.3783496676033171,0.37041669522308274,0.35691522171201423,0.3551739942430265
EOS-4-03139,N#Cc1cc(C#N)nc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)c1,IDIFQMZHLRAFSQ-UHFFFAOYSA-N,4,1,0.494,4,702,449.409,3.105,5,0.396,0.66,1.0,0.8629549037077651,0.8560328284558975,0.7332859296826811,0.6895774792680419,0.7854627852785964
EOS-4-03140,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5ncccc5F)n34)c2)nc1,WVRUVVNAAWGSLQ-UHFFFAOYSA-N,4,1,0.512,2,491,418.367,2.896,5,0.429,0.67,1.0,0.6382787334658351,0.5992735247755465,0.49261531080803234,0.49203275992049894,0.5555500822424783
EOS-4-03141,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)c1F,QVZNOYYVKCEFLA-UHFFFAOYSA-N,4,1,0.483,59,109,422.42,4.167,5,0.423,0.66,1.0,0.7352734562401481,0.622806867246933,0.845289904735796,0.8309574395175108,0.7585819169350969
EOS-4-03142,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cnccn1,DXUWLNMPZWDZFE-UHFFFAOYSA-N,4,1,0.6,11,275,447.861,4.057,5,0.387,0.69,1.0,0.9669488040572956,0.9813669385237476,0.5998218079638133,0.6662840106915222,0.8036053903090947
EOS-4-03143,Cc1cncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)c1,BEBGIBXFKJWMSU-UHFFFAOYSA-N,4,1,0.568,90,281,401.804,4.048,4,0.472,0.67,1.0,0.8328935645260778,0.8815965321088343,0.9231032828455897,0.919565142896306,0.889289630594202
EOS-4-03144,COc1ccccc1COc1cncc2nnc(-c3ccnc(-c4cncc(F)c4)c3)n12,VMDBOOWUHZLRMI-UHFFFAOYSA-N,4,1,0.489,97,183,428.427,3.975,5,0.404,0.78,1.0,0.8559128915084642,0.6468627921321363,0.7551915564389007,0.6519943800973202,0.7274904050442053
EOS-4-03145,OCc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1Cl,JVLKIBDHKCMTHF-UHFFFAOYSA-N,4,1,0.689,90,281,416.268,3.607,4,0.517,0.75,1.0,0.807227057775341,0.8177386745253924,0.7714258789664862,0.8390617503940785,0.8088633404153245
EOS-4-03146,N#Cc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,LWEASAGXIFEOHC-UHFFFAOYSA-N,4,1,0.563,35,352,453.893,4.395,5,0.351,0.69,1.0,0.9401600301555754,0.945017476526626,0.8485710369405798,0.8519635391679803,0.8964280206976905
EOS-4-03147,Fc1cc(-c2nnc3cncc(OCCc4ncncc4F)n23)ccc1-c1ccccn1,FEBQFWXZLWSXMC-UHFFFAOYSA-N,4,1,0.505,11,490,431.406,3.543,5,0.406,0.71,1.0,0.9295027756836406,0.8560413953807141,0.6178894524021658,0.6405918031663355,0.7610063566582139
EOS-4-03148,Cc1nccc(COc2cncc3nnc(-c4cc(-c5ccc(F)nc5F)ncn4)n23)c1Cl,BDYUUQQTEPYHQX-UHFFFAOYSA-N,4,1,0.384,46,395,466.839,3.857,5,0.36,0.61,0.999,0.7323692687272977,0.6758618326365567,0.714798505928312,0.7093670755945446,0.7080991707216778
EOS-4-03149,FC(F)Oc1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)cn1,CWGFOKPGWCTKCF-UHFFFAOYSA-N,4,1,0.323,50,557,418.367,3.307,5,0.428,0.7,0.999,0.5075645946131176,0.57458364745391,0.5837331231581112,0.5320745665136043,0.5494889829346857
EOS-4-03150,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)cc1,LBKRXMVAWSUPFY-UHFFFAOYSA-N,4,1,0.595,23,17,413.359,3.147,4,0.509,0.83,1.0,0.9577393598793777,0.7007487492289768,0.9069460626413542,0.8390703173188953,0.851126122267151
EOS-4-03151,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncc(Cl)nn1,IORQXDUGMXFYNL-UHFFFAOYSA-N,4,1,0.602,37,619,448.849,3.452,5,0.389,0.71,1.0,0.9629737509423617,0.9602923034747447,0.4892999109039819,0.535278596395038,0.7369611404290316
EOS-4-03153,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1cccnc1,ASAHNOBWYNOBBR-UHFFFAOYSA-N,4,1,0.516,35,103,476.899,4.671,5,0.315,0.7,1.0,0.9255619902679734,0.9039904735796038,0.8405009937632787,0.7930659310533891,0.8657798471660613
EOS-4-03154,CCc1nc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cn4)n23)ccc1-c1cccnc1,IFYPHUORJHJXGF-UHFFFAOYSA-N,4,1,0.474,27,122,493.449,4.683,5,0.322,0.66,0.967,0.6591477623192379,0.7056318963744774,0.872318552532383,0.7492289767664999,0.7465817969981496
EOS-4-03155,Fc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)n2)o1,ZNCQWXZUXQBKCV-UHFFFAOYSA-N,4,1,0.536,35,143,421.367,3.136,5,0.385,0.65,1.0,0.8925793297238024,0.8255260091837434,0.5067935713796176,0.46456719895826193,0.6723665273113564
EOS-4-03156,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncc(Br)cn1,LZZNLVWPZPMKSS-UHFFFAOYSA-N,4,1,0.617,35,509,492.312,4.166,5,0.352,0.78,1.0,0.9577479268041944,0.9306079089849908,0.589978411349462,0.5838530601055445,0.7655468268110479
EOS-4-03157,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCc3ccccc3Cl)n12,JZDUTUXEFVBRFN-UHFFFAOYSA-N,4,1,0.53,43,909,438.875,4.681,5,0.396,0.7,1.0,0.84944486327188,0.9238743060790898,0.8001507778767734,0.8466434788568296,0.8550283565211432
EOS-4-03158,NC(=O)c1ccc(-c2nnc3cncc(CNc4cc(F)cc(Br)c4)n23)cc1F,PTUXPANNGYZLLX-UHFFFAOYSA-N,4,1,0.429,23,678,459.254,3.543,4,0.476,0.85,1.0,0.36501096566376534,0.3592368583373312,0.7806781577684874,0.7542234939346172,0.5647873689260503
EOS-4-03159,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1F,IBODVYKWUSXCEP-UHFFFAOYSA-N,4,1,0.5,26,911,437.385,3.583,5,0.391,0.68,1.0,0.8446730861489959,0.7148841751764786,0.8801658556644507,0.8535312864094304,0.823313600849839
EOS-4-03160,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)cc1F,PYIBYTZWSGYMIY-UHFFFAOYSA-N,4,1,0.718,24,912,422.42,4.167,5,0.423,0.73,1.0,0.8717531354944829,0.7333544650812145,0.8288071413885272,0.8081951202796245,0.8105274655609623
EOS-4-03161,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccn2)cn1,KENFAPSRBHZVJH-UHFFFAOYSA-N,4,1,0.512,24,910,431.406,3.809,5,0.418,0.67,1.0,0.7734305393735864,0.6808220821054074,0.7667483380165856,0.7147813720786786,0.7339455828935646
EOS-4-03162,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,VHTMVANORACGOG-UHFFFAOYSA-N,4,1,0.605,75,583,413.416,3.404,5,0.421,0.66,1.0,0.82548317455966,0.7193732437804126,0.5477177712288397,0.5185388253032691,0.6527782537180454
EOS-4-03163,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCc3cscc3C(F)F)n12,SSAOPNJTFLAKQW-UHFFFAOYSA-N,4,1,0.466,55,28,460.466,5.027,5,0.331,0.64,0.983,0.747395654855733,0.7558169419505174,0.8390103488451786,0.7814406140771709,0.7809158899321499
EOS-4-03164,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncn5)c(Cl)c4)n23)nc1Cl,YBGPAQWRKIFBLQ-UHFFFAOYSA-N,4,1,0.511,37,490,482.306,4.711,5,0.324,0.64,1.0,0.9652782537180453,0.9514683709135768,0.8214053183469262,0.8586800082242478,0.8992079878006991
EOS-4-03165,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1cncnc1,DBCRWTXKIVDRSO-UHFFFAOYSA-N,4,1,0.467,55,817,434.822,3.41,5,0.387,0.64,1.0,0.6715783702282229,0.8708621753135495,0.6088941813446646,0.6317421698307175,0.6957692241792885
EOS-4-03167,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(CC(F)(F)F)nn4)n23)c(F)c1,RSHPGVYYVFGEJJ-UHFFFAOYSA-N,4,1,0.452,36,52,485.405,3.2,5,0.338,0.63,1.0,0.5024758412720169,0.6468713590569529,0.80015934480159,0.7035329997943938,0.6632598862312384
EOS-4-03168,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c(F)cn1,BNLPDYTZISHVGX-UHFFFAOYSA-N,4,1,0.46,24,28,457.853,4.215,5,0.365,0.55,1.0,0.7933829072716058,0.8217736961140429,0.7357617709546981,0.756836406003701,0.776938695086012
EOS-4-03169,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)cc4F)n23)c(F)c1F,CNVDIKQGHADIKA-UHFFFAOYSA-N,4,1,0.371,23,678,444.392,3.71,4,0.443,0.81,1.0,0.369688506613666,0.45170824480844357,0.8504471934754301,0.8018127612912069,0.6184141765471867
EOS-4-03170,N#Cc1cc(-c2ccnc(F)c2)cc(-c2nnc3cncc(OCc4nccc(Cl)n4)n23)c1,NWWNXIOTVSINES-UHFFFAOYSA-N,4,1,0.435,97,91,458.844,3.886,5,0.288,0.63,1.0,0.8123929134397917,0.8139435268316085,0.8058649167294908,0.8190322801727092,0.8128084092934
EOS-4-03171,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5csnn5)c(F)c4)n23)c1,PUKKRAPPIIDMKN-UHFFFAOYSA-N,4,1,0.512,16,772,441.398,3.701,5,0.384,0.66,1.0,0.7294907819888973,0.7056404632992941,0.8161023918854088,0.8170704543896923,0.7670760228908231
EOS-4-03172,COc1ncc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)cc1-c1cnccn1,YHZZAAJSKPFZLG-UHFFFAOYSA-N,4,1,0.472,2,540,447.405,3.509,5,0.39,0.73,1.0,0.7734391062984032,0.6908025495168254,0.7305616475909807,0.6464001781920362,0.7103008703995614
EOS-4-03173,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(C)n4)n23)ccc1-c1cc(F)ncn1,YWFXNQMZOLNWAL-UHFFFAOYSA-N,4,1,0.388,13,412,447.405,4.031,5,0.372,0.73,1.0,0.8890840243986019,0.7470444109382496,0.7332944966074978,0.5808460694948941,0.7375672503598109
EOS-4-03174,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c(F)n2)ncn1,FLDOVYNZJSFFQJ-UHFFFAOYSA-N,4,1,0.456,58,795,467.827,2.986,5,0.274,0.6,1.0,0.8424456856966623,0.862158179699815,0.3517322321979302,0.4142536495099719,0.6176474367760949
EOS-4-03175,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccc(Cl)cn5)n4)n23)cc1F,RXBPCTRBEKMWPV-UHFFFAOYSA-N,4,1,0.354,45,140,463.835,3.946,5,0.432,0.72,1.0,0.3248235213487766,0.4162154752929888,0.7506682201357001,0.7930744979782057,0.5711954286889178
EOS-4-03177,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)cn2)cn1,VIAYHXBPOZRMMT-UHFFFAOYSA-N,4,1,0.5,55,910,431.406,3.809,5,0.418,0.7,1.0,0.8302977863066274,0.8062761291206908,0.7595092865465013,0.7063686519087109,0.7756129634706326
EOS-4-03178,Fc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ccncn1,SCRGYFDGOHNKFC-UHFFFAOYSA-N,4,1,0.522,11,490,431.406,3.543,5,0.406,0.73,1.0,0.907365841957371,0.8621667466246317,0.6808477828798575,0.6810019875265575,0.7828455897471044
EOS-4-03179,Clc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cn1,NBYPXDNPURMUFA-UHFFFAOYSA-N,4,1,0.554,35,56,429.871,3.918,5,0.404,0.76,1.0,0.8737834966760332,0.8994414365019533,0.48606161332328146,0.532083133438421,0.6978424199849221
EOS-4-03180,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1cnco1,MBJIEGCLPLAEMW-UHFFFAOYSA-N,4,1,0.711,91,103,449.417,4.355,5,0.365,0.72,1.0,0.9522565279967103,0.7513621410458502,0.8920995819340689,0.8150829278322254,0.8527002947022138
EOS-4-03181,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cnccn4)nn3)n12,YWZTZXNEAXTQMN-UHFFFAOYSA-N,4,1,0.424,54,411,434.822,3.41,5,0.414,0.82,1.0,0.7443201288465492,0.7148927421012953,0.5743780412583099,0.6492186964567199,0.6707024021657186
EOS-4-03183,COc1cc(-c2nnc3cncc(CNCc4ccc(F)cc4F)n23)ccc1-c1cncnc1,XMGDOWFFLPIWES-UHFFFAOYSA-N,4,1,0.387,14,291,459.46,3.825,5,0.396,0.78,1.0,0.4850335823452813,0.4561544787882941,0.8485796038653964,0.7860753204029881,0.6439607463504899
EOS-4-03184,Cc1cnc(-c2ccc(-c3nnc4cncc(Br)n34)c(F)c2F)cn1,GUQSCHIQLZXSJT-UHFFFAOYSA-N,4,1,0.54,68,861,403.19,3.597,4,0.512,0.83,1.0,0.3325166198341443,0.48702110890274825,0.8039287917209239,0.8040572955931738,0.6068809540127476
EOS-4-03185,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)c2)nc1,OKEBCLLJGNKDCA-UHFFFAOYSA-N,4,1,0.456,73,949,436.357,3.035,5,0.387,0.67,1.0,0.5460043862655062,0.5745922143787267,0.6089027482694812,0.6080546227126311,0.5843884929065863
EOS-4-03186,Fc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccncc5)c4)n23)nn1,GHANDISJLNMTMO-UHFFFAOYSA-N,4,1,0.512,4,799,417.379,3.501,5,0.432,0.74,1.0,0.7139161126721952,0.759877664313618,0.759517853471318,0.7620365293674183,0.7488370399561373
EOS-4-03187,Clc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,KGMWJFYXZIIBPT-UHFFFAOYSA-N,4,1,0.605,35,202,429.871,3.918,5,0.404,0.65,1.0,0.8202059488725927,0.9015574669316702,0.669796449866356,0.6981015694606264,0.7724153587828113
EOS-4-03188,CC(C)(O)c1ncc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cc1F,KQUZEPLRIFTQBJ-UHFFFAOYSA-N,4,1,0.5,90,385,463.3,3.876,4,0.434,0.65,0.908,0.8446816530738126,0.7979490781988897,0.7595264203961346,0.6869131656500582,0.7722675793297238
EOS-4-03189,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12,MSTUJDBTOMHEAC-UHFFFAOYSA-N,4,1,0.465,24,28,457.853,4.215,5,0.365,0.62,1.0,0.7763518607360702,0.810011308340758,0.6917192104722089,0.7278630662737304,0.7514863614556919
EOS-4-03190,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)nc1Cl,SRSOJXZVJLOCCX-UHFFFAOYSA-N,4,1,0.505,11,0,471.279,4.909,5,0.325,0.61,1.0,0.8871821670893016,0.8592368583373312,0.8232900418065932,0.8635460215201152,0.8583137721883352
EOS-4-03191,Fc1ccc(NCc2cncc3nnc(-c4cnc(Cl)nc4)n23)nc1-c1cccnc1,VSAOTONQDOHCKE-UHFFFAOYSA-N,4,1,0.357,2,434,433.838,3.443,5,0.42,0.72,1.0,0.10816599273524775,0.1815502707148242,0.39659721746281956,0.4207559454458228,0.27676735658967855
EOS-4-03192,COc1cc(F)ccc1Oc1cncc2nnc(-c3cc(-c4cc(F)ccn4)ncn3)n12,UKEFKRVTKHPKHE-UHFFFAOYSA-N,4,1,0.4,44,971,433.378,3.722,5,0.413,0.73,0.999,0.6867675279281749,0.5608337331231581,0.7071825097662943,0.6433160852580357,0.6495249640189158
EOS-4-03193,Fc1ccc(-c2nnc3cncc(OCc4ncc(Cl)nc4F)n23)cc1-c1nccnn1,DYYLKRNPQHTASC-UHFFFAOYSA-N,4,1,0.467,73,212,453.8,2.944,5,0.396,0.54,1.0,0.809754300596258,0.8734236858337331,0.46873072441916247,0.5384654924268385,0.672593550818998
EOS-4-03194,Fc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)ccc1-c1nc[nH]n1,DBMJKKIVDNSQFZ-UHFFFAOYSA-N,4,1,0.528,47,164,438.373,3.627,5,0.431,0.61,1.0,0.717068741004729,0.7558255088753341,0.8653022411075321,0.8128897950791584,0.7877715715166883
EOS-4-03195,Fc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)ccc1-c1cscn1,HGTSGGLRUOFUQP-UHFFFAOYSA-N,4,1,0.536,4,799,455.425,4.361,5,0.376,0.6,1.0,0.7202813378109794,0.7728051538619697,0.8058734836543074,0.7516791172640669,0.7626597731478308
EOS-4-03198,Fc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)n1,VDKCDVJRHDQZJD-UHFFFAOYSA-N,4,1,0.477,7,199,419.355,2.29,5,0.396,0.57,1.0,0.6470598314029196,0.585155232677678,0.35556164759098075,0.33135151805907753,0.479782057432664
EOS-4-03200,Fc1cc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)ccc1-c1ncc[nH]1,ZRGPHQKXVFBRRK-UHFFFAOYSA-N,4,1,0.495,37,563,454.828,3.525,5,0.391,0.63,1.0,0.9008721129463367,0.8869594270440683,0.5774535672674936,0.6317507367555343,0.7492589610033582
EOS-4-03201,Fc1ccncc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,MVRKKIVEXXSWKP-UHFFFAOYSA-N,4,1,0.585,75,583,413.416,3.404,5,0.421,0.63,1.0,0.8540196011239806,0.7240336508806798,0.5407871290521554,0.5251182235624701,0.6609896511548214
EOS-4-03202,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)cc1F,IDARHXTVPUCFEF-UHFFFAOYSA-N,4,1,0.436,23,678,428.83,3.695,4,0.506,0.88,1.0,0.4119148790350216,0.5009766294291002,0.8421801110273456,0.812898362003975,0.6419924953738606
EOS-4-03203,OCc1cccc(-c2cncc3nnc(-c4cncnc4-c4ccc(C(F)F)nc4)n23)n1,PTRLFRREZFNVPR-UHFFFAOYSA-N,4,1,0.314,82,243,432.394,3.135,5,0.45,0.62,0.598,0.2993968884929066,0.32094270440682615,0.6386128435336852,0.5711568775272429,0.4575273284901652
EOS-4-03204,Cc1cccc(COc2cncc3nnc(-c4ccc(C#N)c(-c5ccnc(F)c5F)c4)n23)n1,UXYYBTMFTXZXJR-UHFFFAOYSA-N,4,1,0.5,4,92,455.428,4.286,5,0.364,0.61,1.0,0.7961842916866562,0.7898961688712219,0.8980792954561031,0.8484082653690631,0.8331420053457611
EOS-4-03205,Cc1(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)c(Cl)n2)ccnc1,WQILTJOILFFBHZ-UHFFFAOYSA-N,4,1,0.495,90,636,449.877,3.851,5,0.415,0.45,0.999,0.6957713659104928,0.7558340758001508,0.6562607086560208,0.5320917003632376,0.6599894626824755
EOS-4-03206,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(S(=O)(=O)NC)c(F)cc4F)n23)cc1F,JRLJOPRADYZIKB-UHFFFAOYSA-N,4,1,0.366,0,129,476.44,2.143,4,0.456,0.8,1.0,0.3395586320334453,0.3054280035638407,0.6264478102940169,0.6203224590500994,0.47293922623535056
EOS-4-03207,Fc1ccc(Oc2cncc3nnc(-c4cccc(-c5cnsn5)c4)n23)c(F)c1,OEOGTIPGTOFCRP-UHFFFAOYSA-N,4,1,0.488,13,145,408.393,4.38,5,0.439,0.77,1.0,0.7079535329997944,0.6615722020423549,0.8288157083133438,0.8428825988623124,0.7603060105544514
EOS-4-03208,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)c(Cl)cn2)nc1,DKVGYIPTDXEZJW-UHFFFAOYSA-N,4,1,0.451,73,775,470.255,3.458,5,0.356,0.68,0.999,0.6684600095949558,0.7685987937769858,0.47528442190391335,0.5743609074086766,0.6216760331711328
EOS-4-03209,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(Cl)c(F)c4)n23)cc1F,BEDANKXWMHBARL-UHFFFAOYSA-N,4,1,0.436,23,678,428.83,3.695,4,0.506,0.86,1.0,0.41192344595983826,0.4964275923514495,0.8421886779521623,0.8105595915290248,0.6402748269481188
EOS-4-03210,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1c(F)cccc1F,FSTZQTDWDSKEBA-UHFFFAOYSA-N,4,1,0.631,57,955,459.456,4.762,5,0.349,0.69,1.0,0.9537300390651772,0.9125830991707217,0.8625008566924817,0.8082036872044411,0.8842544205332054
EOS-4-03211,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)nc(F)c4)n23)ccc1F,MUNSIWJNZMSDEE-UHFFFAOYSA-N,4,1,0.542,16,55,437.385,3.583,5,0.391,0.68,1.0,0.842454252621479,0.7470529778630662,0.8896837091357687,0.8535398533342471,0.8331826982386403
EOS-4-03212,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)cc1,FTHQCRJLOXBGPF-UHFFFAOYSA-N,4,1,0.446,0,999,439.397,4.091,5,0.49,0.91,1.0,0.720289904735796,0.8708707422383661,0.8306832979233775,0.8535484202590639,0.8188480912891509
EOS-4-03213,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cn1,DVQQZEISQFRIMO-UHFFFAOYSA-N,4,1,0.649,59,294,431.406,3.809,5,0.418,0.73,1.0,0.8834555547940511,0.8592454252621479,0.7736361455691865,0.7173685833733123,0.8084264272496745
EOS-4-03214,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cc1F,QVPWLWHUFLSUQQ-UHFFFAOYSA-N,4,1,0.694,59,294,422.42,4.167,5,0.423,0.75,1.0,0.865019532588582,0.839772805153862,0.8232986087314098,0.8018213282160236,0.8324780686724693
EOS-4-03215,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cncs1,IZDPNZOQOPIFOQ-UHFFFAOYSA-N,4,1,0.529,97,103,451.458,4.781,5,0.37,0.69,1.0,0.9329124117606744,0.8530943732437805,0.9036477965869372,0.8466520457816462,0.8840766568432595
EOS-4-03216,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(F)cc4F)n23)c(Cl)c1F,LRICPKBGRHETNC-UHFFFAOYSA-N,4,1,0.398,23,129,443.816,4.421,5,0.507,0.86,0.998,0.38816736344321845,0.5608423000479748,0.8653108080323487,0.9379154958536083,0.6880589918442875
EOS-4-03217,Fc1cc(Cl)nc(-c2ncnnc2-c2nnc3cncc(-c4ccc(Cl)nc4)n23)c1,OORJUARZJSFOHY-UHFFFAOYSA-N,4,1,0.28,50,844,440.229,3.546,5,0.392,0.64,0.343,0.22664656294976354,0.4020971831951203,0.48244637105064764,0.7035415667192104,0.45368292097868546
EOS-4-03218,N#Cc1cc(Oc2cncc3nnc(-c4cc(-c5ccc(Cl)cn5)cnn4)n23)ccc1Cl,BBEPDRAKIBEACW-UHFFFAOYSA-N,4,1,0.447,13,251,461.272,4.614,5,0.381,0.68,1.0,0.6777979576451237,0.6088170790213145,0.8452984716606127,0.8924251250771024,0.7560846583510382
EOS-4-03219,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)c(F)c1,XCCQHIBRWYCGNL-UHFFFAOYSA-N,4,1,0.506,24,486,452.812,3.549,5,0.399,0.63,1.0,0.6655215543828388,0.7102751696251114,0.6264563772188335,0.6780892330888905,0.6700855835789186
EOS-4-03220,N#Cc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,LVSJQAHFUMUJAC-UHFFFAOYSA-N,4,1,0.5,35,202,438.426,3.276,5,0.371,0.61,1.0,0.9215869371530395,0.9125916660955383,0.7381862106778151,0.7035501336440272,0.818978736892605
EOS-4-03222,CCn1cnnc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1F,OXPORASIUHIOLK-UHFFFAOYSA-N,4,1,0.512,34,332,451.412,4.066,5,0.387,0.67,1.0,0.7621564663148516,0.8062846960455075,0.7806867246933041,0.7975721335069563,0.7866750051401549
EOS-4-03223,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1F,ZRYILFWVXWLAIW-UHFFFAOYSA-N,4,1,0.609,23,721,441.413,3.58,4,0.474,0.84,1.0,0.7532811322047838,0.5373603591254883,0.8177301076005757,0.7568449729285176,0.7163041429648414
EOS-4-03224,Fc1cc(-c2nnc3cncc(CNCc4cccc(Cl)c4F)n23)ccc1-c1csnn1,JQEPTKYPUWHODM-UHFFFAOYSA-N,4,1,0.366,45,291,469.908,4.531,5,0.393,0.82,1.0,0.2320094578849976,0.3970769652525529,0.854884860530464,0.8910201494071688,0.5937478582687958
EOS-4-03225,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)cnc1F,SMBRMCAPPTYUJL-UHFFFAOYSA-N,4,1,0.477,24,28,457.853,4.215,5,0.365,0.63,1.0,0.7849444863271879,0.7979576451237064,0.7280087039956137,0.7414502090329655,0.7630902611198684
EOS-4-03226,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4Cl)n23)cn1,BAJASWCNZSLIAJ-UHFFFAOYSA-N,4,1,0.605,35,352,468.369,5.843,5,0.293,0.72,1.0,0.8694400657939826,0.912600233020355,0.8653193749571654,0.9041018436022206,0.8878653793434308
EOS-4-03227,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)c(F)c4)n23)c1,QKAWLJIVFJTJBV-UHFFFAOYSA-N,4,1,0.522,37,832,438.373,3.01,5,0.406,0.64,1.0,0.8908402439860188,0.817747241450209,0.7714344458913028,0.7719570283051196,0.8129947399081625
EOS-4-03228,Fc1cccc(CCN=c2ccc(Cc3cncc4nnc(-c5ccc(Cl)cc5)n34)n[nH]2)c1,NDGQBSITWHFZFK-UHFFFAOYSA-N,4,1,0.455,57,358,459.916,4.041,5,0.415,0.5,0.96,0.2941796312795559,0.47827427866493044,0.6670207662257556,0.7414587759577822,0.545233363032006
EOS-4-03229,Fc1cc(-c2nnc3cncc(OCCc4c(F)cnnc4F)n23)ccc1-c1nc[nH]n1,DTZIMWRJADYNIE-UHFFFAOYSA-N,4,1,0.533,47,164,439.361,2.405,5,0.428,0.53,1.0,0.9025597971352204,0.8531029401685971,0.5239616887122198,0.5515900212459736,0.7078036118155028
EOS-4-03230,Cc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(C#N)ccc5F)n34)cc2)n1,GJSJWJCJUZMVQY-UHFFFAOYSA-N,4,1,0.385,62,3,406.424,4.84,5,0.428,0.83,1.0,0.4031766157220204,0.5467154410252896,0.9231118497704064,0.9153159481872387,0.6970799636762387
EOS-4-03231,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)cc1F,CBOBIVKBJLDSAO-UHFFFAOYSA-N,4,1,0.757,43,96,422.42,4.167,5,0.423,0.74,1.0,0.9529590158316771,0.9337691042423412,0.842197244876979,0.8268538825303269,0.888944811870331
EOS-4-03232,N#Cc1ccc(CCc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)nn1,MGZNMSJWYARSTR-UHFFFAOYSA-N,4,1,0.36,72,487,423.415,2.834,5,0.423,0.69,1.0,0.4559488725926941,0.5851637996024946,0.3892467959701186,0.45527208553217735,0.4714078884243712
EOS-4-03233,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)cc1F,UEMBXUSMMXEXAM-UHFFFAOYSA-N,4,1,0.408,23,678,442.857,4.085,4,0.47,0.88,1.0,0.4097303132067713,0.509723459666918,0.7829398259200877,0.7516876841888835,0.6135203207456652
EOS-4-03234,NC(=O)c1ccc(-c2nnc3cncc(CCc4nc(Cl)ncc4Cl)n23)cc1F,MMRXEWKKTLHALZ-UHFFFAOYSA-N,4,1,0.417,90,244,432.246,2.911,4,0.486,0.72,1.0,0.34208587485436226,0.40668048797203754,0.37440031526283324,0.5051572887396341,0.4070809917072168
EOS-4-03235,Fc1cnc(-c2ccccn2)cc1-c1nnc2cncc(OCc3ncncc3F)n12,PTXVILBIMBKNJO-UHFFFAOYSA-N,4,1,0.483,24,199,418.367,2.896,5,0.429,0.59,0.998,0.6470683983277363,0.6185405386882324,0.4860701802480981,0.4920413268453156,0.5609301110273456
EOS-4-03236,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)cn2)cn1,GXGGZFHTJNUHTC-UHFFFAOYSA-N,4,1,0.506,55,109,431.406,3.809,5,0.418,0.69,1.0,0.814885888561442,0.8062932629703242,0.7552001233637173,0.7093756425193612,0.7714387293537112
EOS-4-03237,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cn4)n23)ccc1F,IBNDBIYVIJRTPV-UHFFFAOYSA-N,4,1,0.538,27,911,486.389,3.599,5,0.336,0.7,0.996,0.6211534507573162,0.8100198752655746,0.9143650195325885,0.8330049345486944,0.7946358200260434
EOS-4-03238,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)cn1,QGQROMAEYDLOFD-UHFFFAOYSA-N,4,1,0.571,73,325,446.421,3.246,5,0.392,0.69,1.0,0.9641388527174286,0.9337776711671578,0.4720546912480296,0.430059625796724,0.700007710232335
EOS-4-03239,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(CC(F)(F)F)cn4)n23)cc1F,BOWFAXXPXLAEIX-UHFFFAOYSA-N,4,1,0.337,66,999,444.392,3.847,4,0.473,0.84,1.0,0.39672572133506956,0.46054931121924475,0.9182030018504558,0.835078130354328,0.6526390411897746
EOS-4-03240,CC(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cn1,VFSBLZFHDIDIRE-UHFFFAOYSA-N,4,1,0.76,48,231,442.292,4.601,4,0.437,0.67,1.0,0.9295113426084572,0.9424473990816257,0.8288242752381605,0.7466246316222329,0.861851912137619
EOS-4-03241,Fc1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1csnn1,WXOHHVDMFHJYTB-UHFFFAOYSA-N,4,1,0.5,16,712,441.398,3.701,5,0.384,0.64,1.0,0.6778065245699404,0.6758703995613734,0.8123415118908917,0.8170790213145089,0.7457743643341785
EOS-4-03243,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)c(F)c1,FOFRWTQNLYDEQD-UHFFFAOYSA-N,4,1,0.472,16,772,437.385,3.583,5,0.391,0.65,1.0,0.8281389212528271,0.7007573161537934,0.8896922760605853,0.8519721060927969,0.8176401548900007
EOS-4-03244,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5F)n34)cc2)s1,IORNTKMJWCRLAT-UHFFFAOYSA-N,4,1,0.561,43,178,454.437,4.615,5,0.361,0.67,1.0,0.8978051538619697,0.8734322527585497,0.8390189157699952,0.8190408470975259,0.8573242923720101
EOS-4-03245,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(OC(F)F)nn4)n23)cc1F,BTMHFFWFYARAPT-UHFFFAOYSA-N,4,1,0.422,66,225,430.35,2.033,4,0.455,0.81,1.0,0.469930093893496,0.4162240422178055,0.5574926324446576,0.4300681927215407,0.4684287403193749
EOS-4-03246,Fc1cccc(COc2cncc3nnc(-c4csc(-c5nccs5)c4)n23)c1F,NHWZSPPVOFFLPT-UHFFFAOYSA-N,4,1,0.5,24,910,427.461,4.834,5,0.402,0.67,1.0,0.6129292029333151,0.49643615927626616,0.7690785415667192,0.769652525529436,0.6620241073264341
EOS-4-03247,N#Cc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncccc5F)c4)n23)nc1,DXUBEWXVIWQECK-UHFFFAOYSA-N,4,1,0.565,24,912,424.399,3.233,5,0.422,0.78,1.0,0.6591563292440545,0.6758789664861902,0.6504609005551367,0.6257710232335001,0.6528168048797204
EOS-4-03248,Fc1ccc(COc2ccnc(-c3cncc4nnc(-c5ccoc5)n34)c2)cc1F,RNOJOQZEUYVZHM-UHFFFAOYSA-N,4,1,0.448,59,294,405.364,4.304,5,0.434,0.74,0.995,0.5559848536769242,0.541806593105339,0.9191539305051059,0.9028339387293537,0.7299448290041807
EOS-4-03249,COc1cc(-c2nnc3cncc(COc4cccc(F)c4)n23)ccc1-c1cnccn1,TYHHGUGKXGHSHB-UHFFFAOYSA-N,4,1,0.447,14,189,428.427,3.975,5,0.404,0.78,1.0,0.6352717428551847,0.6273130697005003,0.7529812898362004,0.6635511616750052,0.6697793160167227
EOS-4-03250,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccc1F,WRPNLTQPGDXNSH-UHFFFAOYSA-N,4,1,0.561,34,607,452.852,4.702,5,0.386,0.64,1.0,0.9088479199506545,0.8869679939688849,0.9211157562881228,0.9258789664861902,0.910702659173463
EOS-4-03251,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)cc1F,MRXGYVOBIYJRQI-UHFFFAOYSA-N,4,1,0.506,97,214,447.43,4.039,5,0.401,0.69,1.0,0.8758652594064834,0.8255345761085601,0.8123500788157083,0.7719655952299362,0.821428877390172
EOS-4-03252,N#Cc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1Cl,RKWSNZLIMCONOK-UHFFFAOYSA-N,4,1,0.736,48,231,393.809,4.077,4,0.51,0.81,1.0,0.9876978959632651,0.9960420807346995,0.95002056061956,0.9592385717222945,0.9732497772599548
EOS-4-03253,N#Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1,RITQMMIDHFWZHT-UHFFFAOYSA-N,4,1,0.605,1,326,428.452,4.505,5,0.409,0.71,1.0,0.92557055719279,0.8971883352751696,0.8980878623809198,0.8785724076485505,0.8998547906243575
EOS-4-03254,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)ccc1-c1cscn1,IIURMNZGRPERMH-UHFFFAOYSA-N,4,1,0.511,1,383,467.913,5.295,5,0.337,0.76,1.0,0.9561716126379275,0.8895552052635186,0.8969655952299362,0.8652251387841821,0.9019793879788911
EOS-4-03255,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)C#N)cn4)n23)cc1F,YGUZWMBHWUIMFA-UHFFFAOYSA-N,4,1,0.357,66,999,423.358,2.967,4,0.541,0.78,1.0,0.2857155095606881,0.33972140360496195,0.967402851072579,0.9186227811664724,0.6278656363511754
EOS-4-03256,Fc1cc(-c2nnc3cncc(OCCc4c(F)ccnc4F)n23)ccc1-c1c[nH]nn1,JNZQUGXSBZGRPP-UHFFFAOYSA-N,4,1,0.527,37,832,438.373,3.01,5,0.406,0.54,1.0,0.8717617024192996,0.8100284421903914,0.7618994585703516,0.7670653142348023,0.8026887293537113
EOS-4-03257,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)ccc1-c1ccsc1,ILNADCSSWDWCGB-UHFFFAOYSA-N,4,1,0.488,97,103,451.458,4.781,5,0.346,0.62,1.0,0.9242769515454733,0.7899047357960387,0.8736549928037831,0.797580700431773,0.846354345144267
EOS-4-03258,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4cncs4)nc3)n12,DGGLHMGZDAFLGB-UHFFFAOYSA-N,4,1,0.518,59,109,438.875,4.681,5,0.396,0.7,1.0,0.8424628195462956,0.8592539921869645,0.8214138852717429,0.8350866972791446,0.839554348571037
EOS-4-03260,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,LDZCMQVTKBMCCK-UHFFFAOYSA-N,4,1,0.816,48,378,441.413,3.39,4,0.453,0.85,1.0,0.6715869371530395,0.43425741895689124,0.7619080254951682,0.6810105544513742,0.6371907340141183
EOS-4-03261,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)c1Cl,RAUVKAVVLNJHKD-UHFFFAOYSA-N,4,1,0.477,24,912,447.861,4.323,5,0.396,0.7,1.0,0.8378709478445617,0.7641354259475018,0.7333030635323144,0.7253272565279967,0.7651591734630937
EOS-4-03262,Fc1ccc(-c2nc(-c3cncc4nnc(-c5cnc(F)cn5)n34)ncc2F)cn1,SGSRMULAITVQFX-UHFFFAOYSA-N,4,1,0.304,50,261,407.319,2.518,5,0.42,0.67,0.503,0.3443989445548626,0.41623260914262217,0.42890309094647383,0.5153604961962854,0.42622378521006105
EOS-4-03263,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(F)c4F)n23)cc1F,LIJPTJHRMSPCDC-UHFFFAOYSA-N,4,1,0.396,23,678,444.392,3.71,4,0.35,0.86,1.0,0.40106915221712014,0.4693818107052293,0.8736635597285998,0.8129069289287917,0.6392553628949352
EOS-4-03264,Cn1cncc1-c1cncc(-c2nnc3cncc(Oc4c(F)cc(F)cc4F)n23)c1,ZEKORHKRKXZYEM-UHFFFAOYSA-N,4,1,0.419,13,724,423.358,3.796,5,0.437,0.7,1.0,0.6211620176821329,0.5947073538482627,0.8884757727366185,0.8586885751490645,0.7407584298540195
EOS-4-03265,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1F,NAWXFULAPYMIOO-UHFFFAOYSA-N,4,1,0.55,24,912,422.42,4.167,5,0.423,0.65,1.0,0.787728736892605,0.6565948187238709,0.8161109588102254,0.7997052977863066,0.765034953053252
EOS-4-03266,Cc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)cn5)c4)n23)n1,ZIHIDMGEGWOBIL-UHFFFAOYSA-N,4,1,0.517,4,92,430.418,4.414,5,0.411,0.79,1.0,0.8303063532314441,0.8022411075320403,0.8233071756562265,0.7906757590295388,0.8116325988623125
EOS-4-03267,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c1,LMWYRMAWKZILCY-UHFFFAOYSA-N,4,1,0.53,97,91,428.452,4.505,5,0.383,0.7,1.0,0.8254917414844767,0.6758875334110068,0.8943955177849359,0.8744688506613666,0.8175609108354465
EOS-4-03268,Fc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ncc(Cl)cn1,KMPUEVWAXWKLGC-UHFFFAOYSA-N,4,1,0.627,37,141,447.861,4.057,5,0.387,0.73,1.0,0.9629823178671784,0.9493437735590432,0.5804434240285107,0.6203310259749161,0.7782751353574121
EOS-4-03269,Fc1cccc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4c[nH]nn4)cc3Cl)n12,PFHJPVWFGSOQMM-UHFFFAOYSA-N,4,1,0.565,88,803,470.295,4.644,5,0.389,0.63,1.0,0.8815536974847509,0.9126087999451716,0.8774672743472003,0.9195737098211226,0.8978008703995614
EOS-4-03270,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cncnc4)nc3)n12,NQHWIZUGEJHLFY-UHFFFAOYSA-N,4,1,0.662,84,73,413.416,3.404,5,0.421,0.68,1.0,0.8228959632650263,0.8791206908368172,0.6386214104585018,0.6171441299431156,0.7394455486258652
EOS-4-03271,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1Cl,DPCKSEPIXHPZDB-UHFFFAOYSA-N,4,1,0.568,43,178,421.823,3.948,5,0.462,0.69,1.0,0.9466194914673429,0.8621753135494483,0.8357377835652114,0.8448615584949627,0.8723485367692413
EOS-4-03272,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4F)n23)nc1,OADDKUQDYSKUOL-UHFFFAOYSA-N,4,1,0.482,51,263,451.372,2.472,5,0.359,0.61,1.0,0.8202145157974093,0.8679065862517991,0.25602254814611747,0.2968182441230896,0.5602404735796039
EOS-4-03273,N#Cc1cc(-c2nnc3cncc(-c4nccc(-c5ccc(F)nn5)n4)n23)ccc1Cl,CQPIMYMQRNBWJR-UHFFFAOYSA-N,4,1,0.337,22,216,429.806,3.369,5,0.428,0.65,0.757,0.4051641422794874,0.6137430607908985,0.6418597080392022,0.7335001028030979,0.5985667534781715
EOS-4-03274,Cn1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1C(F)(F)F,FEJLJINQPMJUPQ-UHFFFAOYSA-N,4,1,0.34,66,188,444.392,3.847,5,0.485,0.85,1.0,0.2884997601261051,0.39235658967856896,0.9116750051401549,0.882864436981701,0.6188489479816325
EOS-4-03276,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)ccn1,RLDAUMOZTUBWBR-UHFFFAOYSA-N,4,1,0.529,58,28,464.316,4.572,5,0.34,0.68,1.0,0.8797118086491673,0.8924251250771024,0.6059728599821808,0.6780978000137071,0.7640518984305393
EOS-4-03277,COc1cccnc1-c1cncc2nnc(-c3cc(F)cnc3-c3ccc(F)cn3)n12,RVNLIEFGKOUIOB-UHFFFAOYSA-N,4,1,0.341,24,155,417.379,3.597,5,0.441,0.71,0.997,0.5283222534439038,0.5326314166266877,0.5544942087588239,0.5614676855595915,0.5442288910972517
EOS-4-03278,Cn1c(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cnc1C(=O)NCCO,KNUPTKWFNMWVHD-UHFFFAOYSA-N,4,1,0.404,66,455,445.405,1.856,4,0.469,0.74,1.0,0.2644181344664519,0.22886539647728052,0.5545027756836406,0.43007675964635733,0.3694657665684326
EOS-4-03279,COc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1cccc(F)c1F,QQVDGUDJAOYPGI-UHFFFAOYSA-N,4,1,0.505,11,955,460.444,4.157,5,0.36,0.69,1.0,0.9255791241176068,0.8433023781783291,0.755208690288534,0.6927129737509423,0.804200791583853
EOS-4-03280,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4Cl)n23)ccn1,VNONXUZTDZXOIW-UHFFFAOYSA-N,4,1,0.581,72,386,464.316,4.572,5,0.34,0.76,1.0,0.9008806798711535,0.920207662257556,0.7506767870605168,0.8082122541292578,0.844994345829621
EOS-4-03282,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1ccccn1,HRVMRVRAGHSYDY-UHFFFAOYSA-N,4,1,0.526,35,777,476.899,4.671,5,0.337,0.66,1.0,0.944914673428826,0.8816050990336509,0.8079895140840244,0.7595092865465013,0.8485046432732506
EOS-4-03283,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)cn1,BEBKOFFMBLGECL-UHFFFAOYSA-N,4,1,0.482,55,332,447.861,4.323,5,0.396,0.79,1.0,0.8097628675210746,0.862183880474265,0.7305702145157974,0.7335086697279145,0.7840064080597628
EOS-4-03284,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c1F,KPAJSRGPJJWPSI-UHFFFAOYSA-N,4,1,0.531,24,910,422.42,4.167,5,0.423,0.72,1.0,0.8072356247001576,0.7769858131725036,0.8102083476115414,0.7930830649030224,0.7968782125968062
EOS-4-03285,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccc(Cl)cn1,MQXWPEQERSSSSZ-UHFFFAOYSA-N,4,1,0.533,35,982,476.899,4.671,5,0.337,0.71,1.0,0.9430899184428757,0.9039990405044205,0.82502056061956,0.7792988828730039,0.862852100609965
EOS-4-03286,CC(F)(F)c1ncc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1,OUOAMKYYENJCDN-UHFFFAOYSA-N,4,1,0.481,68,900,403.78,3.32,4,0.472,0.61,1.0,0.8281474881776437,0.892433692001919,0.7333116304571311,0.5838616270303612,0.7594386094167638
EOS-4-03287,Fc1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1ncon1,DOJKIRRWJAWVQI-UHFFFAOYSA-N,4,1,0.518,73,325,425.33,3.233,5,0.396,0.71,1.0,0.8834641217188678,0.7855955726132547,0.7871461860050716,0.7719741621547529,0.8070450106229867
EOS-4-03288,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)nc1Cl,HNYFTCKGNUYTFI-UHFFFAOYSA-N,4,1,0.433,51,775,470.255,3.458,5,0.356,0.64,1.0,0.8019926667123569,0.7856041395380714,0.37829826605441713,0.4768436022205469,0.6106846686313481
EOS-4-03290,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cccc(-c4nc[nH]n4)c3)n12,SVELAEMXYVROQT-UHFFFAOYSA-N,4,1,0.518,43,521,421.823,3.948,5,0.462,0.67,1.0,0.817438832156809,0.797966212048523,0.7931944349256391,0.8229045301898431,0.8078760023302035
EOS-4-03291,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)cc4Cl)n23)cc1F,WURDTWBZOALXFC-UHFFFAOYSA-N,4,1,0.4,23,678,442.857,4.085,4,0.47,0.81,1.0,0.3534970187101638,0.45616304571311084,0.7595349873209513,0.7414673428825989,0.5776655986567062
EOS-4-03292,Fc1cc(CCOc2cncc3nnc(-c4cnc(Br)nc4)n23)ccn1,FSOHYGHYKCIGEU-UHFFFAOYSA-N,4,1,0.553,65,811,416.214,2.499,4,0.365,0.69,1.0,0.7380834075800151,0.7513707079706669,0.407520046604071,0.39233945582893565,0.5723284044959221
EOS-4-03293,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)ccc1F,IXAOSJAKSYVIHI-UHFFFAOYSA-N,4,1,0.462,4,702,443.377,2.767,5,0.377,0.64,1.0,0.7294993489137139,0.8063018298951409,0.48930847782879855,0.4522565279967103,0.6193415461585908
EOS-4-03295,Fc1cc(COc2cncc3nnc(-c4cc(-c5cncnc5)c[nH]4)n23)cnc1Cl,VDSZGORHHLVMNU-UHFFFAOYSA-N,4,1,0.404,55,435,422.811,3.343,5,0.433,0.62,0.999,0.5331968336645878,0.4295456103077239,0.7619165924199849,0.7568535398533343,0.6203781440614078
EOS-4-03296,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)cc1Cl,GMRQHUMTMJPOKQ-UHFFFAOYSA-N,4,1,0.679,84,28,470.892,4.863,5,0.33,0.65,1.0,0.9362449455143582,0.954638133095744,0.7759235144952368,0.8061561921732575,0.8682406963196491
EOS-4-03298,Cn1nc(C(F)(F)F)cc1-c1ncc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)nn1,LYVVVZLLNIMNIG-UHFFFAOYSA-N,4,1,0.395,85,362,472.822,3.035,5,0.367,0.59,0.976,0.25118223562470016,0.44282434377355906,0.5964464395860462,0.5515985881707902,0.4605129017887739
EOS-4-03299,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1nccs1,KPBGZKTWFVGHEU-UHFFFAOYSA-N,4,1,0.552,11,595,470.892,4.863,5,0.33,0.67,1.0,0.9350712768144747,0.9461054759783428,0.8288328421629771,0.8409893084778288,0.8877497258584057
EOS-4-03300,Fc1cc(-c2cc(Cl)ncn2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,PURHGHLBMNZKFM-UHFFFAOYSA-N,4,1,0.5,37,795,448.849,3.452,5,0.364,0.7,1.0,0.8606075663079981,0.89945000342677,0.47529298882873006,0.5217171544102529,0.6892669282434377
EOS-4-03301,N#Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5c[nH]cn5)c4)n23)ccc1F,AANLVFQATYTCDB-UHFFFAOYSA-N,4,1,0.478,4,702,430.378,3.305,5,0.454,0.68,1.0,0.8352751696251114,0.7284970187101638,0.8141405661023919,0.7814491810019876,0.7898404838599137
EOS-4-03302,Cc1ccc(-c2nnc3cncc(-c4cccc(C(C)Oc5ccccc5Cl)n4)n23)c(F)n1,JVFQFRKVUKGRBF-UHFFFAOYSA-N,4,1,0.344,96,586,460.9,5.489,5,0.323,0.65,1.0,0.48734665204578165,0.5992820917003633,0.8453070385854293,0.8082208210540744,0.6850391508464122
EOS-4-03304,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1cscn1,GRNSGOWCFKDWFI-UHFFFAOYSA-N,4,1,0.511,1,383,467.913,5.295,5,0.337,0.79,1.0,0.9577564937290111,0.8895637721883353,0.8980964293057364,0.8620553766020149,0.9018680179562744
EOS-4-03305,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cnc1Cl,DGLBULNZWSUNLK-UHFFFAOYSA-N,4,1,0.557,97,91,438.875,4.681,5,0.371,0.67,1.0,0.9161726406689055,0.8361918305804948,0.8323538482626276,0.8288928106366938,0.8534027825371805
EOS-4-03306,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5nnco5)ncn4)n23)cc1F,PPVJFANBXFXUHI-UHFFFAOYSA-N,4,1,0.418,46,488,426.318,2.628,5,0.391,0.62,0.564,0.6746453293125899,0.49151874443149884,0.6917277773970255,0.6869217325748749,0.6362033959289973
EOS-4-03307,N#Cc1nc(COc2cncc3nnc(-c4ccc(Cl)c(-c5cccnn5)c4)n23)ccc1F,PKNXOUFXDNKFRJ-UHFFFAOYSA-N,4,1,0.495,4,702,458.844,3.886,5,0.389,0.75,1.0,0.8072441916249743,0.9257247618394902,0.7912668768418888,0.7997138647111233,0.8309874237543691
EOS-4-03308,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnsc5)nc4Cl)n23)c1,SFIROFLTRYZDQI-UHFFFAOYSA-N,4,1,0.575,97,109,438.875,4.681,5,0.371,0.68,1.0,0.782134534987321,0.802249674456857,0.7619251593448015,0.8105681584538414,0.7892193818107053
EOS-4-03309,Cc1nc(C(F)F)ccc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,LCMQYGHDKCKZRC-UHFFFAOYSA-N,4,1,0.488,68,127,402.792,4.06,4,0.468,0.67,1.0,0.8650280995133987,0.9105698718388048,0.865327941881982,0.8040658625179905,0.8612479439380439
EOS-4-03310,N#Cc1ccc(-c2ncc(F)cc2-c2nnc3cncc(-c4cnc(CO)nc4)n23)nc1,GXUGURAUYPZNHK-UHFFFAOYSA-N,4,1,0.314,50,489,425.387,2.208,5,0.459,0.72,0.994,0.3989017202385032,0.42955417723254063,0.44383524090192583,0.4709923925707628,0.4358208827359331
EOS-4-03311,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)cn4)n23)c(F)c1,IPDSVWMRSJHHNU-UHFFFAOYSA-N,4,1,0.433,66,455,427.39,2.783,4,0.526,0.72,1.0,0.3070300185045576,0.4206788431224728,0.757144815297101,0.5384740593516552,0.5058319340689467
EOS-4-03312,N#Cc1cc(-c2nnc3cncc(-c4cnc(-c5ccncc5)cn4)n23)ccc1Cl,BKEOKGYPKNTLKO-UHFFFAOYSA-N,4,1,0.382,50,216,410.828,3.835,5,0.445,0.7,1.0,0.3046055787814406,0.5326399835515043,0.7912754437667056,0.8289013775615105,0.6143555959152902
EOS-4-03313,NC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(Cl)c4F)n23)cc1F,ZVSGOPUCCPIPNV-UHFFFAOYSA-N,4,1,0.452,23,678,414.803,3.434,4,0.521,0.83,1.0,0.365019532588582,0.4295627441573573,0.8390274826948119,0.8369285861147283,0.6176345863888698
EOS-4-03314,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccc(-c4cnsc4)cc3)n12,NNOSDCPYRVTCDY-UHFFFAOYSA-N,4,1,0.544,97,91,422.42,4.167,5,0.396,0.6,1.0,0.8717702693441163,0.714901309026112,0.8268453156055102,0.8129154958536083,0.8066080974573366
EOS-4-03316,COc1cc(-c2nnc3cncc(COc4cccnc4F)n23)ccc1-c1ccncc1,CCWMAYGUFVGHPN-UHFFFAOYSA-N,4,1,0.398,14,257,428.427,3.975,5,0.378,0.75,1.0,0.632299019943801,0.5513844150503735,0.7619337262696183,0.6376190802549517,0.6458090603796862
EOS-4-03317,N#Cc1cc(-c2cc(F)nnn2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,TXKQIXYDBCYOHK-UHFFFAOYSA-N,4,1,0.516,37,161,457.404,2.81,5,0.378,0.52,1.0,0.9189311904598725,0.8433109451031457,0.7408762250702488,0.7226286752107464,0.8064367589610033
EOS-4-03318,N#Cc1cc(-c2ncccc2-c2nnc3cncc(Cc4ccc(Br)cn4)n23)ccn1,VARPFXUILONQCB-UHFFFAOYSA-N,4,1,0.35,14,81,469.306,3.868,5,0.394,0.66,0.951,0.3766791172640669,0.39236515660338567,0.5307124254677541,0.5583664587759578,0.4645307895277911
EOS-4-03319,O=c1cnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ncn2)c[nH]1,UXIDSRUGHYGUPN-UHFFFAOYSA-N,4,1,0.389,44,971,420.339,2.402,5,0.47,0.6,0.66,0.5702573504214927,0.46939037763004593,0.5709341374820095,0.5838701939551778,0.5486130148721815
EOS-4-03320,OCc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)cn1,YEYPCNABZZECTG-UHFFFAOYSA-N,4,1,0.558,97,770,429.415,2.854,5,0.439,0.75,1.0,0.8672212322664656,0.7149098759509287,0.6027945308751971,0.5251267904872867,0.6775131073949696
EOS-4-03321,Fc1cnc(-c2nccnc2-c2nnc3cncc(OCCc4ccncc4F)n23)nc1,DONFQRNIRKTBFF-UHFFFAOYSA-N,4,1,0.471,65,263,433.382,2.333,5,0.398,0.59,1.0,0.6746538962374066,0.5652199986292921,0.2028733465835104,0.25815571242546775,0.4252257384689192
EOS-4-03322,COc1nccnc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ncn1,XOIPJCVQRXODKW-UHFFFAOYSA-N,4,1,0.385,44,971,434.366,3.117,5,0.412,0.74,0.978,0.6559351655129875,0.5190357069426359,0.45476663696799396,0.41426221643478855,0.5109999314646014
EOS-4-03323,Fc1ccnc(F)c1COc1cncc2nnc(-c3cncc(-c4nccnn4)c3)n12,QUFDOTYQDJHVHS-UHFFFAOYSA-N,4,1,0.443,2,131,419.355,2.29,5,0.396,0.56,1.0,0.6897402508395586,0.5900555136728121,0.4753015557535467,0.4679082996367624,0.55575140497567
EOS-4-03324,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(F)c4)n23)cc1F,XXJJBIPEFXZYGW-UHFFFAOYSA-N,4,1,0.408,23,678,426.402,3.57,4,0.493,0.82,1.0,0.4187684188883558,0.5097320265917347,0.7829483928449044,0.7121084915358783,0.6058893324652183
EOS-4-03325,COc1cc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)ccc1-c1ccsc1,HAFMREYFXHSOEN-UHFFFAOYSA-N,4,1,0.477,97,103,451.458,4.781,5,0.346,0.5,1.0,0.9295199095332739,0.8217822630388596,0.8956462888081694,0.8309660064423274,0.8694786169556576
EOS-4-03326,Fc1cccc(-c2cncnc2-c2nnc3cncc(Cc4cnc(CC5CC5)nc4)n23)c1,HCCGFELVJOEBKR-UHFFFAOYSA-N,4,1,0.301,85,976,438.47,3.721,6,0.399,0.72,0.717,0.24836371736001644,0.30046775409499005,0.11268932903844836,0.32473785210060996,0.24656466314851616
EOS-4-03327,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)ccn1,OJNQWQXUVUPUEY-UHFFFAOYSA-N,4,1,0.583,11,0,453.289,4.77,5,0.342,0.59,1.0,0.8446902199986293,0.810037009115208,0.7871547529298882,0.8268624494551435,0.8171861078747172
EOS-4-03328,NCC#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1F,VYIWOBCSKCHFPT-UHFFFAOYSA-N,4,1,0.478,90,683,422.851,2.911,4,0.497,0.69,0.999,0.7295079158385306,0.5190442738674526,0.8268538825303269,0.8061647590980742,0.720392707833596
EOS-4-03329,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)ncc1Cl,UBMAOHFTVSMKPT-UHFFFAOYSA-N,4,1,0.479,58,262,466.839,3.591,5,0.35,0.69,1.0,0.8582430950585977,0.9040076074292372,0.5442224659036392,0.5868514837913782,0.7233311630457131
EOS-4-03330,Fc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1c[nH]nn1,QXEYZUMWIGRXSN-UHFFFAOYSA-N,4,1,0.522,37,832,438.373,3.01,5,0.406,0.59,1.0,0.8494534301966966,0.8022582413816737,0.802044068261257,0.7860838873278048,0.809959906791858
EOS-4-03331,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1cscn1,KYFKOSVJHXGFCH-UHFFFAOYSA-N,4,1,0.5,1,383,467.913,5.295,5,0.337,0.78,1.0,0.9491810019875265,0.8816136659584676,0.8827702008087177,0.8535569871838805,0.891780463984648
EOS-4-03332,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(F)n1,VKYGMEJQNBEDTP-UHFFFAOYSA-N,4,1,0.716,23,948,401.804,4.048,4,0.472,0.8,1.0,0.9730313206771297,0.9661349461997122,0.889700842985402,0.8897179768350353,0.9296462716743198
EOS-4-03333,Fc1cc(-c2ccnc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)cc(F)n1,XWUPWMWTJZKGMP-UHFFFAOYSA-N,4,1,0.389,51,196,452.812,3.549,5,0.373,0.62,1.0,0.609836543074498,0.6185491056130491,0.6447724624768693,0.6781063669385238,0.637816119525735
EOS-4-03334,Cn1cc(-c2cc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)ccc2F)cn1,GZHSGKSXLPAKBF-UHFFFAOYSA-N,4,1,0.461,73,394,438.373,2.978,5,0.389,0.68,1.0,0.6211705846069495,0.6566033856486876,0.7203241724350627,0.6781149338633404,0.66905326913851
EOS-4-03335,Cc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccnc(F)c1,QADUHGCAHNXFQU-UHFFFAOYSA-N,4,1,0.561,35,201,426.455,4.317,5,0.377,0.72,1.0,0.9119748475087383,0.8362003975053115,0.7667569049414023,0.712117058460695,0.8067623021040368
EOS-4-03336,Cc1cccc(COc2cncc3nnc(-c4cccc(-c5ccc(F)c(F)n5)c4)n23)n1,FIRFTSAMTZIRDE-UHFFFAOYSA-N,4,1,0.511,1,92,430.418,4.414,5,0.384,0.79,1.0,0.677815091494757,0.6663868137893222,0.8001679117264067,0.7438660818312659,0.722058974710438
EOS-4-03337,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1)N1CCC(F)(F)CC1,WCQAWEXWGNKIRP-UHFFFAOYSA-N,4,1,0.419,78,345,486.885,4.441,5,0.426,0.85,0.98,0.28572407648550474,0.4428329106983757,0.2856041395380714,0.6257795901583167,0.4099851792200671
EOS-4-03338,N#Cc1nc(COc2cncc3nnc(-c4cc(-c5ncccn5)cnc4Cl)n23)ccc1F,SJCKHTAMJWNFEZ-UHFFFAOYSA-N,4,1,0.462,73,242,459.832,3.281,5,0.363,0.66,1.0,0.7352820231649647,0.7937941196628059,0.5407956959769721,0.5452676307312727,0.6537848673840039
EOS-4-03339,Fc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3nc(Cl)ncc3F)n12,GSYPSOVECYUVNR-UHFFFAOYSA-N,4,1,0.484,37,0,455.812,3.789,5,0.356,0.66,1.0,0.8853402782537181,0.8531115070934138,0.6089113151942979,0.6547700637379207,0.7505332910698376
EOS-4-03340,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1cnccn1,LAPDBLRCDIXHER-UHFFFAOYSA-N,4,1,0.472,55,540,434.822,3.41,5,0.387,0.55,1.0,0.6925759029538757,0.8734408196833665,0.5341391953944212,0.567927146871359,0.6670207662257557
EOS-4-03341,N#Cc1cc(-c2nnc3cncc(-c4ncc(-c5cnc(CF)nn5)cn4)n23)ccc1Cl,KHBWVRXKKPWFER-UHFFFAOYSA-N,4,1,0.337,50,261,444.821,3.095,5,0.41,0.77,1.0,0.37668768418888354,0.5513929819751902,0.38925536289493523,0.5017562195874169,0.4547730621616065
EOS-4-03343,Fc1cc(NCc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)ncc1-c1csnn1,KVKGBXAGYATRPS-UHFFFAOYSA-N,4,1,0.5,14,487,470.44,4.057,5,0.38,0.66,1.0,0.20458673154684395,0.3495390994448633,0.7667654718662189,0.7200757316153793,0.5102417586183263
EOS-4-03344,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)cnc1Cl,LHJIHFSQSSVOIN-UHFFFAOYSA-N,4,1,0.461,55,283,434.822,3.41,5,0.387,0.64,0.996,0.8402182852443287,0.8022668083064903,0.6323504214927009,0.6376276471797684,0.7281157905558222
EOS-4-03345,N#Cc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)n1,RXKNGODTTWPMKA-UHFFFAOYSA-N,4,1,0.361,82,243,427.378,3.515,5,0.427,0.71,0.828,0.31502295935850866,0.4115893358919882,0.7071910766911109,0.6547786306627373,0.5221455006510863
EOS-4-03346,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1cncnc1,MPJDXTFYBUKPIA-UHFFFAOYSA-N,4,1,0.505,35,215,461.432,3.552,5,0.339,0.56,1.0,0.902568364060037,0.8293725584264272,0.787163319854705,0.6691710643547393,0.7970688266739772
EOS-4-03347,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ccn2)nn1,KXNYRXQWIKJOQJ-UHFFFAOYSA-N,4,1,0.477,24,486,418.367,2.896,5,0.429,0.68,1.0,0.7621650332396683,0.6137516277157151,0.6264649441436502,0.604859159756014,0.6518101912137619
EOS-4-03350,N#Cc1cc(-c2nnc3cncc(OCc4ccc(Oc5ccc(Cl)cn5)cn4)n23)ccc1Cl,VOOHCNPSPQGXSA-UHFFFAOYSA-N,4,1,0.534,4,71,490.31,5.131,5,0.322,0.73,1.0,0.8890925913234186,0.9337862380919745,0.8969741621547529,0.8910287163319854,0.9027204269755329
EOS-4-03351,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,KCVWESHYMVIMGG-UHFFFAOYSA-N,4,1,0.578,35,161,442.479,4.547,5,0.383,0.66,1.0,0.8834726886436844,0.8293811253512439,0.8669642245219656,0.8535655541086972,0.8583458981563978
EOS-4-03352,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c(F)c1,SDUUBAFFJWJSHS-UHFFFAOYSA-N,4,1,0.55,24,912,422.42,4.167,5,0.423,0.74,1.0,0.7905044205332054,0.6711414570625728,0.812358645740525,0.8018298951408402,0.7689586046192858
EOS-4-03353,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,MULRGGQBKCZOIZ-UHFFFAOYSA-N,4,1,0.517,20,846,448.849,3.452,5,0.364,0.71,1.0,0.8815622644095675,0.9306164759098075,0.510057569734768,0.5384826262764718,0.7151797340826537
EOS-4-03354,Fc1ccc(-c2cocn2)cc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,KEAUPIVUUUEWEY-UHFFFAOYSA-N,4,1,0.554,4,71,422.807,4.213,5,0.419,0.61,1.0,0.7589353025837845,0.7641439928723186,0.7932030018504558,0.8105767253786581,0.7817147556713043
EOS-4-03355,COc1cc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)ccc1C(F)F,XSPPZFRORJDYIL-UHFFFAOYSA-N,4,1,0.384,66,568,403.78,3.167,4,0.505,0.71,1.0,0.6098451099993146,0.5467240079501062,0.7333201973819478,0.6781235007881571,0.6420032040298814
EOS-4-03356,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cccnn5)ncn4)n23)c1F,ZTAOZZMOJPBVGN-UHFFFAOYSA-N,4,1,0.409,44,488,418.367,2.896,5,0.429,0.63,0.092,0.6986755534233432,0.537368926050305,0.6418682749640189,0.6433246521828524,0.6303093516551298
EOS-4-03357,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5nccs5)ncn4)n23)c(F)c1F,UAQKWNHHBPWXDW-UHFFFAOYSA-N,4,1,0.394,46,488,459.388,3.84,5,0.224,0.6,0.999,0.6411657871290521,0.6040281680487972,0.837348365430745,0.8229130971146598,0.7263638544308134
EOS-4-03358,FC(F)c1ccc(-c2ccc(-c3nnc4cncc(Br)n34)cc2)nn1,JHPFVRMOFTYLHY-UHFFFAOYSA-N,4,1,0.586,66,861,403.19,3.948,4,0.518,0.83,1.0,0.33735693235556163,0.42957131108217395,0.8595281337810979,0.8390788842437119,0.6163838153656364
EOS-4-03359,COc1nc(-c2cccc(Cl)c2F)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,DAZUAUYXVRONRO-UHFFFAOYSA-N,4,1,0.533,11,201,476.899,4.671,5,0.337,0.77,1.0,0.8891011582482352,0.7979747789733397,0.7203327393598794,0.6927215406757591,0.7750325543143033
EOS-4-03360,C#Cc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cn4)n23)ccc1Cl,WQYQTQOLZPQYFJ-UHFFFAOYSA-N,4,1,0.524,90,683,410.264,4.096,4,0.464,0.73,1.0,0.8540281680487972,0.8621924473990816,0.8774758412720169,0.907365841957371,0.8752655746693166
EOS-4-03361,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ccn2)c1,IPHPMVZANQLBGA-UHFFFAOYSA-N,4,1,0.523,75,583,431.406,3.543,5,0.406,0.65,1.0,0.762173600164485,0.6758961003358235,0.593250976629429,0.6143256116784319,0.6614115722020424
EOS-4-03362,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2Cl)nn1,MJXVBPZHDDZZMS-UHFFFAOYSA-N,4,1,0.608,43,293,463.86,4.023,5,0.372,0.73,1.0,0.9339404427386745,0.935396819957508,0.6780292646151738,0.6781320677129737,0.8063746487560824
EOS-4-03363,Cc1nc(-c2cc(-c3nnc4cncc(OCc5nccc(F)c5F)n34)ccc2F)cs1,NOLBJXPPKWEHJH-UHFFFAOYSA-N,4,1,0.5,59,71,454.437,4.615,5,0.386,0.71,1.0,0.7621821670893016,0.8329192653005277,0.8268624494551435,0.8082293879788911,0.807548317455966
EOS-4-03364,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2F)n[nH]1,JHGDLAMXZZEQOL-UHFFFAOYSA-N,4,1,0.688,88,781,451.412,3.924,5,0.421,0.7,1.0,0.9726458090603797,0.9276266191487903,0.8214224521965595,0.8018384620656569,0.8808833356178466
EOS-4-03365,N#Cc1cc(-c2nnc3cncc(CNc4ccc(F)cc4F)n23)ccc1Cl,AFDDYTSOJLIDMA-UHFFFAOYSA-N,4,1,0.398,23,678,396.788,4.207,4,0.559,0.86,1.0,0.37436604756356656,0.5467325748749229,0.9695103145774793,0.97511308340758,0.7164305051058871
EOS-4-03366,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1F,IFUPNOMHENWNOS-UHFFFAOYSA-N,4,1,0.549,34,607,437.385,3.583,5,0.418,0.67,1.0,0.8871907340141183,0.8531200740182304,0.8535398533342471,0.855167569049414,0.8622545576040025
EOS-4-03367,Cc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccc5F)c4)n23)n1,MTAZLHBEYQXOQF-UHFFFAOYSA-N,4,1,0.547,4,92,430.418,4.414,5,0.411,0.75,1.0,0.7849530532520047,0.7686073607018025,0.8001764786512233,0.7670738811596189,0.7802026934411623
EOS-4-03368,COc1cc(-c2nnc3cncc(COc4ccncc4F)n23)ccc1-c1ccncc1,RCAVDLBOTFFPFE-UHFFFAOYSA-N,4,1,0.402,14,103,428.427,3.975,5,0.404,0.8,1.0,0.6591648961688712,0.5608508669727914,0.7978034404770064,0.6869302994996916,0.6761873757795901
EOS-4-03369,Fc1cc(-c2cocn2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,DAVFHWOFJIMCHE-UHFFFAOYSA-N,4,1,0.576,11,201,436.834,4.255,5,0.367,0.67,1.0,0.8303149201562607,0.7513792748954835,0.7783308203687205,0.7884397916523884,0.7871162017682133
EOS-4-03370,N#Cc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cccnc1,KJYNREGQGMHCGL-UHFFFAOYSA-N,4,1,0.551,11,922,437.438,3.881,5,0.397,0.67,1.0,0.9350798437392913,0.9424559660064423,0.7954132684531561,0.7837879514769378,0.8641842574189569
EOS-4-03371,N#Cc1cc(-c2cncs2)cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)c1,IJIIZSAUZPVDPV-UHFFFAOYSA-N,4,1,0.595,97,91,428.452,4.505,5,0.409,0.74,1.0,0.8559214584332808,0.7333630320060311,0.8932218490850524,0.8828730039065177,0.8413448358577206
EOS-4-03372,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4F)n23)n1,RNBBTMFWWJOGSS-UHFFFAOYSA-N,4,1,0.417,73,526,425.334,2.363,5,0.426,0.62,1.0,0.6499297512165033,0.6858251661983414,0.5932595435542458,0.5930111027345624,0.6305063909259132
EOS-4-03373,FCOc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccsc1,MITVPNNPODQVAG-UHFFFAOYSA-N,4,1,0.523,35,103,481.94,5.496,5,0.273,0.56,1.0,0.9392862038242752,0.9015660338564869,0.8357463504900281,0.815091494757042,0.872922520731958
EOS-4-03374,Fc1cc(-c2cnc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,GTUFXQRIOGRWBY-UHFFFAOYSA-N,4,1,0.506,20,846,448.849,3.452,5,0.389,0.65,1.0,0.8470632581728462,0.9257333287643068,0.5239702556370365,0.5614762524844082,0.7145607737646495
EOS-4-03377,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCc4ccnc(F)c4)n23)c1,LWQFFAGJVFQYAY-UHFFFAOYSA-N,4,1,0.488,97,91,428.452,4.505,5,0.383,0.71,1.0,0.8097714344458913,0.7285055856349805,0.8991073264341032,0.8800716194914674,0.8293639915016106
EOS-4-03378,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)nc1,GKZYXNZLXNCJTI-UHFFFAOYSA-N,4,1,0.303,94,443,448.425,3.301,6,0.4,0.64,1.0,0.23760365979028167,0.37357789048043316,0.3665701459803989,0.40774278664930436,0.3463736207251045
EOS-4-03379,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cc2F)cs1,ZNPVCKUWUOKTOO-UHFFFAOYSA-N,4,1,0.541,4,92,454.437,4.615,5,0.361,0.77,1.0,0.707962099924611,0.7938026865876225,0.819477760263176,0.793091631827839,0.7785835446508121
EOS-4-03380,Fc1ncccc1-c1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1,HKFPMABWNRPYGX-UHFFFAOYSA-N,4,1,0.477,55,390,434.822,3.41,5,0.387,0.58,0.999,0.6897488177643754,0.8649509971900486,0.5676787060516757,0.589927009800562,0.6780763827016655
EOS-4-03381,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c(F)c1,AKHFKDQPMIDCMD-UHFFFAOYSA-N,4,1,0.538,24,109,422.42,4.167,5,0.423,0.73,1.0,0.8020012336371736,0.7899133027208554,0.8058820505791241,0.795387567678706,0.7982960386539648
EOS-4-03382,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ccncc1,VASKDWYRWIXNGJ-UHFFFAOYSA-N,4,1,0.563,35,103,476.899,4.671,5,0.315,0.62,1.0,0.9025769309848537,0.8764306764443835,0.8485881707902131,0.7953961346035228,0.8557479782057432
EOS-4-03383,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)ccc2F)s1,UCIOLMWIEQOQMR-UHFFFAOYSA-N,4,1,0.595,34,16,454.437,4.615,5,0.386,0.72,1.0,0.847071825097663,0.884337948050168,0.8141491330272086,0.8268710163799603,0.84310748063875
EOS-4-03384,OCc1nccc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c(F)c2)n1,OKHUJLCHQKODQS-UHFFFAOYSA-N,4,1,0.479,37,0,461.432,3.035,5,0.394,0.68,1.0,0.807252758549791,0.7728137207867863,0.5375316976218216,0.5251353574121034,0.6606833835926256
EOS-4-03385,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)c(Cl)c3)n12,JNURMWVOOQJGNW-UHFFFAOYSA-N,4,1,0.506,73,325,448.849,3.452,5,0.389,0.6,1.0,0.9440151463230758,0.9292629017887739,0.45104002467274346,0.5117966554725516,0.7090286820642862
EOS-4-03386,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)c(F)c2)cs1,VPPNDBDNFKDENM-UHFFFAOYSA-N,4,1,0.5,4,92,454.437,4.615,5,0.361,0.82,1.0,0.6925844698786924,0.7979833458981564,0.8123672126653416,0.7860924542526215,0.772256870673703
EOS-4-03387,COc1ncc(-c2cncc3nnc(-c4ccc(-c5cccc(Cl)n5)c(Cl)c4)n23)cn1,WWPVLJNVQFEXCL-UHFFFAOYSA-N,4,1,0.358,96,478,450.289,4.626,5,0.369,0.76,1.0,0.514932149955452,0.4964447262010829,0.7097611541361113,0.7466331985470496,0.6169428072099239
EOS-4-03388,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5ccns5)cc4)n23)c1,GOIQVECCAJWOCK-UHFFFAOYSA-N,4,1,0.671,91,883,451.914,5.329,5,0.349,0.64,1.0,0.9202933315057227,0.9482986087314098,0.8695514358165993,0.8884500719621684,0.906648362003975
EOS-4-03389,CCOc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)nc2)nc1,GMZLMWUZGCHARV-UHFFFAOYSA-N,4,1,0.357,82,243,445.433,4.647,5,0.376,0.73,0.918,0.43242409704612433,0.532648550476321,0.797812007401823,0.6750394078541567,0.6094810156946062
EOS-4-03390,CNOc1ccccc1CCOc1cncc2nnc(-c3ccc(Br)cc3)n12,GGRXTXXSWDJKEZ-UHFFFAOYSA-N,4,1,0.711,48,231,440.301,3.689,4,0.442,0.74,1.0,0.9684223151257625,0.9065177164005209,0.709769721060928,0.6143341786032486,0.799760982797615
EOS-4-03391,Fc1ccnc(F)c1COc1cncc2nnc(-c3cccc(-c4cncs4)c3)n12,ILVZVYNQDCLBAP-UHFFFAOYSA-N,4,1,0.5,97,91,422.42,4.167,5,0.396,0.65,1.0,0.7705520526351861,0.6228154341717497,0.7912840106915222,0.7766945377287369,0.7403365088067988
EOS-4-03392,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cncc(-c4cncnn4)c3)n12,TZGUCGVMHCZOPU-UHFFFAOYSA-N,4,1,0.419,2,422,435.81,2.805,5,0.384,0.58,1.0,0.7532896991296004,0.6858337331231581,0.614865327941882,0.6285809745733671,0.6706424336920019
EOS-4-03393,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3cncc(-c4nncs4)c3)n12,JQEZHWWPIVSCAU-UHFFFAOYSA-N,4,1,0.417,13,724,443.826,4.429,5,0.406,0.66,1.0,0.647076965252553,0.7056490302241107,0.7912925776163389,0.8248320882735933,0.742212665341649
EOS-4-03394,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(N)=O)c(F)c4)n23)c(Cl)c1F,VQTDDTRHPBHSJC-UHFFFAOYSA-N,4,1,0.368,0,129,442.813,2.848,4,0.504,0.83,0.999,0.3881759303680351,0.40668905489685425,0.761942293194435,0.7253358234528133,0.5705357754780345
EOS-4-03395,Cc1nccc(-c2cc(-c3nnc4cncc(OCc5cnc(F)c(Cl)n5)n34)ccc2F)n1,IWYMXHXTBAYKCG-UHFFFAOYSA-N,4,1,0.462,73,401,466.839,3.857,5,0.384,0.65,1.0,0.8470803920224796,0.8791292577616339,0.644781029401686,0.637636214104585,0.7521567233225961
EOS-4-03396,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3cc(-c4cncs4)ncn3)n12,CWNZXCRAYYHDIF-UHFFFAOYSA-N,4,1,0.375,13,971,443.826,4.429,5,0.406,0.58,0.999,0.6655301213076554,0.6711500239873894,0.7690871084915358,0.7997224316359399,0.7263724213556301
EOS-4-03397,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)n1,UKJFPAMYIQZOID-UHFFFAOYSA-N,4,1,0.452,47,164,425.334,2.363,5,0.426,0.61,1.0,0.7849616201768214,0.7470615447878829,0.5408042629017887,0.5285792611884038,0.6503516722637243
EOS-4-03399,O=Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,JDCWZVJIUVGASR-UHFFFAOYSA-N,4,1,0.855,48,948,396.809,4.018,4,0.46,0.81,1.0,0.9457884997601261,0.9565571242546775,0.9025340963607703,0.892433692001919,0.9243283530943732
EOS-4-03400,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cc(-c5nccnn5)cnn4)n23)cc1,CVSQTTXAXHJVGP-UHFFFAOYSA-N,4,1,0.642,36,996,449.381,2.614,5,0.366,0.67,1.0,0.6559437324378041,0.7380491398807484,0.5575011993694743,0.5051658556644507,0.6141649818381194
EOS-4-03401,Fc1ncccc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ncn1,OEQJZDMBHFPMAS-UHFFFAOYSA-N,4,1,0.478,55,354,434.822,3.41,5,0.387,0.58,1.0,0.6715955040778562,0.8498389418134467,0.6028030978000137,0.6143427455280652,0.6846450723048454
EOS-4-03403,Cc1ccnc(-c2ccc(-c3nnc4cncc(COc5ncc(F)cn5)n34)cc2F)n1,HENUGBQAYXDNSZ-UHFFFAOYSA-N,4,1,0.376,73,767,432.394,3.204,5,0.417,0.78,1.0,0.7108148858885615,0.5992906586251799,0.4365362209581249,0.3796861078747173,0.5315819683366458
EOS-4-03404,Fc1cccc(COc2cncc3nnc(-c4cc(-c5cncnc5)ncc4F)n23)n1,LPBWNCUQUJHEBQ-UHFFFAOYSA-N,4,1,0.473,55,817,418.367,2.896,5,0.402,0.63,1.0,0.5985796038653964,0.6228240010965663,0.6178980193269824,0.5899355767253787,0.607309300253581
EOS-4-03405,N#Cc1cncc(-c2cc(-c3cncc4nnc(-c5ccc(F)cn5)n34)nc(CF)n2)c1,IJNSOOSDCMXANP-UHFFFAOYSA-N,4,1,0.274,50,155,427.378,3.186,5,0.429,0.65,0.987,0.3558015214858474,0.3735864574052498,0.5137156466314852,0.5679357137961757,0.4527598348296895
EOS-4-03406,Cn1cc(-c2cc(-c3nnc4cncc(Oc5ccccc5Cl)n34)ccc2F)cn1,RXNRQJPWXQFYOM-UHFFFAOYSA-N,4,1,0.506,13,145,420.835,4.777,5,0.418,0.77,1.0,0.5306010554451374,0.7193818107052292,0.902542663285587,0.9108868480570215,0.7658530943732438
EOS-4-03407,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c(Cl)c1,PTAFSRIDTJWKOV-UHFFFAOYSA-N,4,1,0.59,11,28,470.892,4.863,5,0.33,0.62,1.0,0.8424713864711123,0.9411366595846755,0.7552172572133506,0.7997309985607566,0.8346390754574737
EOS-4-03408,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(Cl)n5)n34)c(F)n2)nc1,VJLGCXOXIACYAS-UHFFFAOYSA-N,4,1,0.463,73,263,484.829,3.731,5,0.336,0.56,1.0,0.9133798231786718,0.9382153382221917,0.6148738948666986,0.6635597285998218,0.782507196216846
EOS-4-03410,Fc1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)cc1-c1nc[nH]n1,PLCBTGRRRGXTBK-UHFFFAOYSA-N,4,1,0.505,47,164,438.373,3.627,5,0.431,0.62,0.987,0.7561767527928175,0.7769943800973202,0.8625094236172983,0.8170875882393256,0.8031920361866904
EOS-4-03411,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)cc3Cl)n12,YCYJEWMJSMTDQM-UHFFFAOYSA-N,4,1,0.5,73,325,448.849,3.452,5,0.389,0.65,1.0,0.9088564868754712,0.9084881091083544,0.4474076485504763,0.5083356178466177,0.6932719655952299
EOS-4-03412,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)nn2)nnc1F,GJCBUXVLTZRZPH-UHFFFAOYSA-N,4,1,0.447,54,16,450.384,3.343,5,0.402,0.59,0.98,0.7589438695086012,0.7149184428757454,0.6418768418888355,0.6575371804537044,0.6933190836817216
EOS-4-03413,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)nc5)cn4)n23)c(F)c1F,UGIDTDQQYKQQLL-UHFFFAOYSA-N,4,1,0.337,2,736,449.356,2.222,5,0.412,0.68,1.0,0.2293451442670139,0.3299122746898773,0.5676872729764924,0.5285878281132205,0.413883130011651
EOS-4-03414,Fc1ccc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)cc1-c1csnn1,FMIKXKQMKVLHTR-UHFFFAOYSA-N,4,1,0.512,34,772,441.398,3.701,5,0.384,0.67,1.0,0.6807878144061408,0.6955743266397094,0.8141576999520252,0.8229216640394764,0.7533603762593379
EOS-4-03415,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)c1Cl,XNMKNQGYCINFGC-UHFFFAOYSA-N,4,1,0.529,35,143,472.267,4.304,5,0.337,0.65,1.0,0.784970187101638,0.802275375231307,0.7021708587485436,0.754232060859434,0.7609121204852306
EOS-4-03416,COc1cc(-c2nnc3cncc(CNCc4cc(F)cc(F)c4F)n23)ccc1-c1cncs1,CFKICXHPJUGAEZ-UHFFFAOYSA-N,4,1,0.368,14,291,482.491,4.631,5,0.341,0.72,1.0,0.48504214927009803,0.5056456034541841,0.9002809951339867,0.8535741210335138,0.6861357172229456
EOS-4-03417,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)c1,BQVBIKIOTDYNAC-UHFFFAOYSA-N,4,1,0.575,43,909,422.42,4.167,5,0.423,0.75,1.0,0.8494619971215133,0.8843465149749846,0.7978205743266397,0.8105852923034748,0.8355535946816531
EOS-4-03418,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCc4cnc(F)c(F)c4)n23)cc1F,ZWHDUQBUMPIOGH-UHFFFAOYSA-N,4,1,0.518,16,89,455.375,3.722,5,0.297,0.58,1.0,0.9025854979096704,0.8255431430333767,0.8944040847097526,0.8683606332670825,0.8727233397299705
EOS-4-03419,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)s1,VVESQRMCYXCTIT-UHFFFAOYSA-N,4,1,0.458,13,724,456.865,5.342,5,0.363,0.67,1.0,0.7849787540264547,0.8293896922760606,0.782956959769721,0.7931001987526557,0.797606401206223
EOS-4-03420,Fc1ccc(COc2cncc3nnc(-c4cccnc4F)n23)nc1-c1cncnc1,HIVNNAGLWSYOFG-UHFFFAOYSA-N,4,1,0.506,73,817,418.367,2.896,5,0.402,0.69,1.0,0.5460129531903228,0.6415684325954355,0.5545113426084572,0.5384911932012885,0.570145980398876
EOS-4-03421,CC(C)(O)c1cnc(Cc2cncc3nnc(-c4nccnc4-c4c(F)cc(F)cc4F)n23)cn1,HCBJQAXMWOMHTM-UHFFFAOYSA-N,4,1,0.323,85,674,478.438,3.274,5,0.409,0.55,0.362,0.40517270920430404,0.49645329312589953,0.6590449592214379,0.5679442807209923,0.5321538105681585
EOS-4-03422,Fc1cccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)c1,SJXXYEJLVUJDAL-UHFFFAOYSA-N,4,1,0.573,24,912,438.875,4.681,5,0.371,0.72,1.0,0.8517750668220135,0.785612706462888,0.7595435542457679,0.8018470289904736,0.7996945891302858
EOS-4-03424,CCc1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1ccnnc1,UVCMGMZSIZKGBL-UHFFFAOYSA-N,4,1,0.376,13,724,465.851,4.93,5,0.363,0.61,1.0,0.6156706188746488,0.6711585909122062,0.7913011445411555,0.7954047015283394,0.7183837639640874
EOS-4-03425,Fc1ccnc(OCc2cncc3nnc(-c4ccc(-c5cscn5)c(F)c4)n23)c1,DRVYYEGBAWIHGB-UHFFFAOYSA-N,4,1,0.406,14,189,422.42,4.167,5,0.423,0.68,1.0,0.5702659173463094,0.6468799259817696,0.7736447124940031,0.7620450962922349,0.6882089130285792
EOS-4-03426,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1cocn1,DBXMHAGCOHWCGQ-UHFFFAOYSA-N,4,1,0.593,4,71,422.807,4.213,5,0.419,0.65,1.0,0.7792046467000205,0.8293982592008773,0.8079980810088411,0.8229302309642931,0.8098828044685079
EOS-4-03427,Cc1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)c(F)n1,AWXNMAVYSOGKEO-UHFFFAOYSA-N,4,1,0.434,66,678,400.364,3.847,4,0.496,0.79,1.0,0.38358405866630113,0.5326571174011376,0.8682492632444657,0.7931087656774725,0.6443998012473442
EOS-4-03428,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1-c1ccsc1,KKHJNYNZJZVKJF-UHFFFAOYSA-N,4,1,0.489,97,103,451.458,4.781,5,0.346,0.56,1.0,0.9449232403536426,0.8177558083750257,0.8774844081968337,0.8105938592282914,0.8626893290384484
EOS-4-03429,O=C(O)c1cnccc1-c1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1,AUZHPCPZYUTPGI-UHFFFAOYSA-N,4,1,0.537,35,922,474.427,3.846,5,0.378,0.69,1.0,0.6559522993626208,0.1241775752175999,0.6970478377081762,0.6171526968679323,0.5235826022890823
EOS-4-03430,Fc1cc(-c2nnc3cncc(-c4cnc(-c5cccnc5)nc4)n23)ccc1-c1cccs1,ANWFKNBJFMTLGH-UHFFFAOYSA-N,4,1,0.364,42,106,451.49,5.178,6,0.367,0.77,1.0,0.36969707353848263,0.4736224384894798,0.6970564046329929,0.7253443903776301,0.5664300767596463
EOS-4-03431,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4cc(-c5cscn5)ncn4)n23)c1,JUOLLXCADYORDK-UHFFFAOYSA-N,4,1,0.547,24,633,441.398,3.701,5,0.384,0.6,1.0,0.6411743540538688,0.7193903776300459,0.7619508601192516,0.7516962511137002,0.7185529607292167
EOS-4-03432,Fc1cnc(Oc2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)nc1,QWXHUQOLUYJXPO-UHFFFAOYSA-N,4,1,0.518,65,234,430.403,2.924,5,0.384,0.8,1.0,0.7323778356521143,0.6185576725378658,0.32939825920087723,0.24042217805496538,0.4801889863614557
EOS-4-03433,N#Cc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,HZNMKHQYEIIRND-UHFFFAOYSA-N,4,1,0.56,35,982,442.479,4.547,5,0.383,0.68,1.0,0.9008892467959702,0.8895723391131519,0.8485967377150299,0.836937153039545,0.8689988691659242
EOS-4-03434,N#Cc1cc(-c2nnc3cncc(-c4cc(-c5ccncn5)ncn4)n23)ccc1Cl,JQBXIGLHJFXANR-UHFFFAOYSA-N,4,1,0.35,50,216,411.816,3.23,5,0.444,0.7,1.0,0.33956719895826193,0.5280909464738538,0.6808563498046741,0.722637242135563,0.5677879343430882
EOS-4-03435,COc1cc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1cnsc1,VAGUVHBAUCCUTP-UHFFFAOYSA-N,4,1,0.547,97,103,451.458,4.781,5,0.37,0.56,1.0,0.8717788362689329,0.7979919128229731,0.9143735864574053,0.8702196559522993,0.8635909978754026
EOS-4-03436,CC(F)(F)c1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,KHKRSMAIUJMOCW-UHFFFAOYSA-N,4,1,0.548,68,811,417.807,3.363,4,0.475,0.7,1.0,0.7202984716606127,0.7938112535124392,0.6179065862517991,0.49204989377013225,0.6560165512987458
EOS-4-03438,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1ccc(F)nn1,HKLPAXZFFQIFKQ-UHFFFAOYSA-N,4,1,0.494,72,591,447.405,3.509,5,0.365,0.71,1.0,0.9088650538002878,0.710283736549928,0.7552258241381674,0.6406003700911521,0.7537437461448838
EOS-4-03439,Fc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,UOJTWQYYOYUMFZ-UHFFFAOYSA-N,4,1,0.557,35,143,413.416,3.404,5,0.394,0.79,1.0,0.8072613254746076,0.8100455760400247,0.5205863203344527,0.49519395517784937,0.6582717942567335
EOS-4-03440,Cc1cc(Oc2cncc3nnc(-c4ccc(-c5cccc(C#N)n5)nc4C)n23)ccc1F,NFNCYJSCQXXDOS-UHFFFAOYSA-N,4,1,0.484,14,268,437.438,4.668,5,0.403,0.69,0.995,0.8124014803646084,0.8100541429648414,0.7434548694400658,0.6750479747789734,0.7602396168871222
EOS-4-03441,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cc1C,CYBFSMUZHCRHPW-UHFFFAOYSA-N,4,1,0.591,23,721,457.868,4.012,4,0.442,0.86,1.0,0.7561853197176341,0.6137601946405319,0.8653365088067987,0.8018555959152902,0.7592844047700638
EOS-4-03442,Fc1cc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncc1-c1cscn1,YSHWAFUUEJPWEL-UHFFFAOYSA-N,4,1,0.371,85,81,454.441,4.394,5,0.407,0.61,1.0,0.16820300185045575,0.24923754369131657,0.7357703378795147,0.6464087451168529,0.449904907134535
EOS-4-03443,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c(F)n2)nc1,GCESGXFULZBEIV-UHFFFAOYSA-N,4,1,0.463,58,954,450.384,3.077,5,0.364,0.64,1.0,0.8540367349736139,0.8869765608937016,0.45820197381947775,0.47394798163251317,0.6682908128298266
EOS-4-03444,Fc1ccc(F)c(OCCCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4)n23)c1,QRVDELGHADDBGY-UHFFFAOYSA-N,4,1,0.462,91,273,449.421,3.703,5,0.36,0.65,1.0,0.8148944554862586,0.6908111164416421,0.7123654992803783,0.6981101363854431,0.7290453018984305
EOS-4-03445,OCc1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)cc(-c2cc(F)ccn2)n1,BNJNSXSOZXUFAE-UHFFFAOYSA-N,4,1,0.545,24,912,447.405,2.993,5,0.423,0.66,0.998,0.5869714207388116,0.5280995133986705,0.6670293331505722,0.6376447810294017,0.6049362620793639
EOS-4-03446,Fc1cccnc1CCOc1cncc2nnc(-c3nnc(-c4ccc(OC(F)F)cc4)o3)n12,VENOSTNCMVFHEK-UHFFFAOYSA-N,4,1,0.578,19,996,469.383,3.598,5,0.336,0.7,0.999,0.6746624631622233,0.7102923034747447,0.6028116647248304,0.593019669659379,0.6451965252552944
EOS-4-03447,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5F)n34)cc2)n1,BIGBLRSTKJCXTI-UHFFFAOYSA-N,4,1,0.595,88,70,452.396,4.189,5,0.357,0.73,1.0,0.935088410664108,0.8560499623055308,0.8357549174148448,0.7837965184017545,0.8526724521965595
EOS-4-03448,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1ncncn1,IZHKRQLJPULOGI-UHFFFAOYSA-N,4,1,0.5,37,563,449.837,2.847,5,0.36,0.68,1.0,0.9577650606538277,0.9450260434514427,0.3744088821876499,0.39528647796586935,0.6681216160646974
EOS-4-03449,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1F,JAWBBHYDTMXAGX-UHFFFAOYSA-N,4,1,0.566,23,255,391.74,3.836,4,0.39,0.67,1.0,0.9350969775889246,0.9734768007675965,0.9766465629497636,0.9807843876362141,0.9665011822356248
EOS-4-03450,Cc1ccnc(-c2cncc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)c2)n1,KTJPQXLSMGFLOE-UHFFFAOYSA-N,4,1,0.322,82,859,424.855,4.144,5,0.428,0.73,1.0,0.3558100884106641,0.5056541703790007,0.7482609142622164,0.7670824480844356,0.5942019052840792
EOS-4-03451,N#Cc1cc(-c2ccsn2)cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)c1,COCKAFWUBNVISA-UHFFFAOYSA-N,4,1,0.573,1,709,428.452,4.505,5,0.409,0.7,1.0,0.804545610307724,0.7193989445548626,0.8801744225892674,0.8757624563086834,0.8199703584401343
EOS-4-03452,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c(F)c1,FVTRMGFDTNUULY-UHFFFAOYSA-N,4,1,0.639,48,406,441.413,3.39,4,0.453,0.82,1.0,0.590081214447262,0.4964618600507162,0.712374066205195,0.6662925776163389,0.616302429579878
EOS-4-03453,COc1ccc(-c2ncnc(-c3cncc4nnc(-c5cccc(Cl)c5F)n34)n2)cn1,FXEZAWVRTKBCMP-UHFFFAOYSA-N,4,1,0.32,29,704,434.822,3.506,5,0.423,0.77,1.0,0.567284627510109,0.680830649030224,0.4960078130354328,0.5083441847714344,0.5631168185868001
EOS-4-03454,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5cc(F)cc(F)c5F)n34)c2)s1,IOBOBMBBOVUMRL-UHFFFAOYSA-N,4,1,0.5,43,146,454.437,4.615,5,0.361,0.77,1.0,0.7679648413405524,0.7980004797477898,0.810216914536358,0.8018641628401069,0.7945115996162018
EOS-4-03455,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C(F)(F)F)n5)n34)c(F)n2)c1,VOYJBIIRCJJFFE-UHFFFAOYSA-N,4,1,0.464,58,24,500.391,3.957,5,0.255,0.59,1.0,0.8672297991912823,0.9220409841683229,0.8306918648481941,0.7226458090603797,0.8356521143170448
EOS-4-03456,N#Cc1cnc(-c2ccc(-c3nnc4cncc(COc5ccncc5F)n34)cn2)nc1,AQFCXJGZRXKLKN-UHFFFAOYSA-N,4,1,0.376,85,767,425.387,2.628,5,0.417,0.76,1.0,0.7203070385854293,0.6518658762250702,0.5068021383044342,0.46791686656157905,0.5867229799191283
EOS-4-03457,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1,DEUZHIGVYKFEEN-UHFFFAOYSA-N,4,1,0.548,48,17,427.386,3.348,4,0.489,0.87,1.0,0.8582516619834144,0.5281080803234871,0.8020526351860736,0.7253529573024468,0.7284413336988554
EOS-4-03458,CCc1nc(C(F)(F)F)ccc1-c1nnc2cncc(-c3ccc(C(=O)N4CCC4)cc3)n12,UMLYETURKMKKEW-UHFFFAOYSA-N,4,1,0.371,0,21,452.44,4.28,5,0.462,0.81,1.0,0.2968696456719896,0.3639058323624152,0.24545096292234939,0.3279761496813104,0.3085506476595161
EOS-4-03459,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cncnc5F)c4)n23)n1,RUAAFKCVQWHFGX-UHFFFAOYSA-N,4,1,0.506,75,486,418.367,2.896,5,0.317,0.69,1.0,0.5958553217736962,0.5558477828798575,0.59983037488863,0.5614848194092249,0.5782545747378521
EOS-4-03460,Clc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,XKNNKWLJWMSDKU-UHFFFAOYSA-N,4,1,0.557,35,143,429.871,3.918,5,0.378,0.8,1.0,0.7763604276608869,0.8433195120279624,0.5137242135563018,0.5452761976560894,0.6696700877253101
EOS-4-03461,Cc1ncccc1OCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(F)c3)n12,AAVDHZXNZOLWFR-UHFFFAOYSA-N,4,1,0.408,14,767,447.861,4.323,5,0.396,0.83,1.0,0.7139246795970119,0.6711671578370229,0.6386299773833185,0.6203395928997327,0.6610153519292715
EOS-4-03462,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cnsc1,JLKXRHOFXSMNHN-UHFFFAOYSA-N,4,1,0.529,97,103,451.458,4.781,5,0.37,0.54,1.0,0.902594064834487,0.7770029470221369,0.9163525460900556,0.8683692001918991,0.8660796895346446
EOS-4-03463,Cc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCc3cncc(F)c3F)n12,WUJFBBOHLQTFDV-UHFFFAOYSA-N,4,1,0.455,55,564,431.406,3.809,5,0.418,0.65,1.0,0.7679734082653691,0.6615807689671716,0.7408847919950654,0.6895860461928586,0.7150062538551162
EOS-4-03464,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc(-c2cncs2)n1,OJZOBEPDWTXQBA-UHFFFAOYSA-N,4,1,0.646,59,294,447.43,4.039,5,0.401,0.71,1.0,0.9008978137207868,0.7938198204372559,0.8637944623397985,0.8428911657871291,0.8503508155712426
EOS-4-03465,Oc1ncc(F)cc1COc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,YZJYNHRVJVDATM-UHFFFAOYSA-N,4,1,0.477,75,540,416.376,2.462,5,0.46,0.56,1.0,0.7108234528133781,0.569811870331026,0.4217325748749229,0.3440477006373792,0.5116038996641765
EOS-4-03466,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccnc(-c4cccnn4)c3)n12,JVYIZQHLXKXGEJ-UHFFFAOYSA-N,4,1,0.461,24,486,418.367,2.896,5,0.402,0.61,0.976,0.7705606195600028,0.5947159207730793,0.6059814269069974,0.5838787608799945,0.6387841820300184
EOS-4-03467,Fc1ccccc1COc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,VJRQNNCBGYFQSE-UHFFFAOYSA-N,4,1,0.506,24,28,422.42,4.167,5,0.396,0.69,1.0,0.7877373038174217,0.7686159276266191,0.7228085806318963,0.7307158522376808,0.7524694160784046
EOS-4-03468,Cc1cccc(COc2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)n1,WPVDNEVXIPBNDM-UHFFFAOYSA-N,4,1,0.562,90,255,401.804,4.665,4,0.486,0.82,1.0,0.8494705640463299,0.9220495510931396,0.9481701048591598,0.9248081008841066,0.9111245802206839
EOS-4-03471,Cc1ncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cc2)o1,QDSVSTZLJZYCJN-UHFFFAOYSA-N,4,1,0.538,13,913,405.364,4.825,5,0.426,0.77,1.0,0.892587896648619,0.8217908299636763,0.8956548557329861,0.8620639435268316,0.8680243814680282
EOS-4-03472,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)cc2)[nH]1,OSSDJOAFUANGQB-UHFFFAOYSA-N,4,1,0.58,43,178,435.85,4.256,5,0.443,0.68,1.0,0.879720375573984,0.8734493866081832,0.7783393872935371,0.7954132684531561,0.8317306044822151
EOS-4-03473,Cc1nccc(CCOc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)c1F,HRKFIODOGYDZGX-UHFFFAOYSA-N,4,1,0.614,90,636,408.824,3.78,4,0.499,0.69,1.0,0.9457970666849428,0.9717205811801796,0.8827787677335344,0.8715903639229662,0.9179716948804058
EOS-4-03474,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)nc4F)n23)c(F)c1F,RLXKDPRXVGGRPI-UHFFFAOYSA-N,4,1,0.341,90,129,418.766,3.284,4,0.516,0.72,1.0,0.3812281543417175,0.49647042697553284,0.8815194297854843,0.8757710232335001,0.6587472585840586
EOS-4-03475,Clc1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnn5)c4)n23)cn1,UEDDCKFMBGLZDJ-UHFFFAOYSA-N,4,1,0.357,85,81,435.278,3.936,5,0.395,0.61,1.0,0.3019326982386403,0.42068741004728943,0.722817147556713,0.8229387978891097,0.5670940134329381
EOS-4-03476,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)c(F)c1,QNHXYDLCEUKPOP-UHFFFAOYSA-N,4,1,0.414,23,678,428.83,3.695,4,0.506,0.84,1.0,0.3812367212665342,0.49647899390034955,0.8405095606880953,0.8040744294428072,0.6305749263244466
EOS-4-03477,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cn2)cn1,LTZJXYNRUQVGEI-UHFFFAOYSA-N,4,1,0.5,55,109,431.406,3.809,5,0.418,0.65,1.0,0.7961928586114728,0.7980090466726064,0.752989856761017,0.7121256253855116,0.764829346857652
EOS-4-03478,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cc1,ZMNIJOULIGRMLT-UHFFFAOYSA-N,4,1,0.679,23,378,443.841,3.704,4,0.459,0.8,1.0,0.9175176478651224,0.7240422178054965,0.8838839010348846,0.8309745733671441,0.8391045850181618
EOS-4-03479,CC(C)(N)c1ncc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,XSTJRVLSCFGNRG-UHFFFAOYSA-N,4,1,0.716,90,811,427.871,3.189,4,0.503,0.67,1.0,0.7079706668494278,0.5851723665273113,0.4547752038928106,0.38275306695908434,0.5326678260571585
EOS-4-03480,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ccnc(F)c1,LOFMFHQMEJZFPC-UHFFFAOYSA-N,4,1,0.516,35,103,494.889,4.81,5,0.3,0.5,1.0,0.956831265848811,0.9306250428346241,0.9078198889726544,0.8715989308477828,0.9167187821259681
EOS-4-03481,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cccc(C(F)(F)F)n5)n34)ccc2F)s1,BXOIVYBHTQCZJX-UHFFFAOYSA-N,4,1,0.506,4,554,487.442,4.75,5,0.331,0.78,1.0,0.744328695771366,0.8217993968884929,0.882787334658351,0.7767031046535535,0.8064046329929409
EOS-4-03482,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,RTIVTYLATCGIDB-UHFFFAOYSA-N,4,1,0.571,75,496,413.416,3.404,5,0.421,0.73,1.0,0.812410047289425,0.7980176135974231,0.6148824617915153,0.586860050716195,0.7030425433486396
EOS-4-03484,N#Cc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,MQECJUWWYAJZBO-UHFFFAOYSA-N,4,1,0.489,72,386,438.426,3.276,5,0.371,0.66,1.0,0.9440237132478926,0.9238828730039065,0.7123826331300116,0.67505654170379,0.8138364402714002
EOS-4-03485,Clc1cnccc1CCOc1cncc2nnc(-c3cccnc3-c3ccccn3)n12,JVHQIPQCZKLGJO-UHFFFAOYSA-N,4,1,0.541,35,747,429.871,3.918,5,0.404,0.72,1.0,0.7734476732232198,0.8255517099581934,0.45478377081762733,0.5118052223973683,0.6413970940991023
EOS-4-03486,COc1cc(-c2nnc3cncc(OCCCc4ccncc4)n23)ccc1-c1ccnc(F)c1,AYAIMZVJUBCQQJ-UHFFFAOYSA-N,4,1,0.527,35,103,456.481,4.408,5,0.252,0.71,1.0,0.8891097251730519,0.7598862312384347,0.6917363443218423,0.5988280446850799,0.7348900863546022
EOS-4-03487,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4cc(F)cc(F)c4F)n23)cc1F,BIMMKXQBISWDPF-UHFFFAOYSA-N,4,1,0.342,88,291,481.457,4.521,5,0.273,0.75,1.0,0.4281749023370571,0.5009851963539168,0.8944126516345693,0.880080186416284,0.6759132341854568
EOS-4-03488,COc1cc(-c2nnc3cncc(CNCc4c(F)cc(F)cc4F)n23)ccc1-c1cscn1,IBVBXYFVQDXRKH-UHFFFAOYSA-N,4,1,0.362,14,291,482.491,4.631,5,0.365,0.78,1.0,0.48252347337399765,0.4736310054142965,0.8788379823178671,0.833013501473511,0.6670014906449181
EOS-4-03489,Fc1ccc(NCc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)cc1Cl,INSJJBMMMIHQQD-UHFFFAOYSA-N,4,1,0.354,45,291,439.813,4.385,5,0.434,0.85,1.0,0.3719159070659996,0.4517168117332602,0.8486053046398465,0.8667329175519156,0.6347427352477555
EOS-4-03490,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1F,PDMGNBJYDQXACA-UHFFFAOYSA-N,4,1,0.56,75,496,436.447,4.21,5,0.397,0.67,1.0,0.7988743060790898,0.6908196833664588,0.7571533822219176,0.7466417654718662,0.7483722842848332
EOS-4-03491,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)c1F,XQKUADJWARYSAD-UHFFFAOYSA-N,4,1,0.516,73,263,466.839,3.591,5,0.374,0.66,1.0,0.8853488451785347,0.9306336097594408,0.5375402645466384,0.5930282365841958,0.7366377390172024
EOS-4-03492,CC(F)(F)c1ncc(-c2nnc3cncc(OCCc4cnccc4F)n23)cn1,ZDKKSWZADZEEEN-UHFFFAOYSA-N,4,1,0.53,68,811,401.352,2.849,4,0.491,0.72,1.0,0.7532982660544171,0.8063103968199575,0.6942892879172092,0.5217257213350696,0.6939059180316633
EOS-4-03493,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)c(F)c1,YDMRRGPBHRJYQG-UHFFFAOYSA-N,4,1,0.447,54,411,418.367,2.896,5,0.429,0.74,0.999,0.7108320197381948,0.6185662394626825,0.602820231649647,0.6257881570831334,0.6395016619834144
EOS-4-03495,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,RROFKUWSCNPNLM-UHFFFAOYSA-N,4,1,0.571,11,0,436.447,4.21,5,0.371,0.74,1.0,0.8606161332328147,0.8816222328832842,0.7305787814406141,0.7226543759851963,0.7988678808854773
EOS-4-03496,N#Cc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,ZPDOIAVXBZPPGF-UHFFFAOYSA-N,4,1,0.484,72,386,438.426,3.276,5,0.371,0.66,1.0,0.939294770749092,0.9183486395723391,0.6724436296347063,0.6433332191076692,0.7933550647659515
EOS-4-03497,Fc1cccc(-c2cnccc2-c2nnc3cncc(-c4nncnc4-c4cccnc4F)n23)c1,VGZPLMUPDHMBMW-UHFFFAOYSA-N,4,1,0.356,10,572,465.427,4.046,6,0.359,0.62,0.773,0.23489651154821464,0.3542166403947639,0.6208793091631828,0.717377150298129,0.4818424028510726
EOS-4-03498,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3Cl)n12,IZCKPZVLBRGTNG-UHFFFAOYSA-N,4,1,0.56,35,0,452.902,4.724,5,0.371,0.74,1.0,0.842479953395929,0.9040161743540539,0.7783479542183538,0.8061733260228908,0.8327543519978069
EOS-4-03499,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(C)=O)c(F)c4)n23)c(F)c1F,WROSWWZGMBTTEY-UHFFFAOYSA-N,4,1,0.337,0,129,425.37,3.438,4,0.506,0.85,1.0,0.43465149749845794,0.4822921664039476,0.8486138715646632,0.7542406277842506,0.6299495408128298
EOS-4-03500,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1,NSRSHTMIYDICKH-UHFFFAOYSA-N,4,1,0.558,90,255,391.74,3.836,4,0.39,0.65,1.0,0.9371701733945583,0.9717291481049962,0.9741021862792132,0.9787454595298472,0.9654367418271537
EOS-4-03502,COc1cc(-c2nnc3cncc(OCC(F)F)n23)ccc1-c1cnc(CF)s1,RONIUQDBJKCKLQ-UHFFFAOYSA-N,4,1,0.481,68,947,421.404,4.037,4,0.449,0.67,1.0,0.7015797409361936,0.7980261805222397,0.7408933589198822,0.6048677266808307,0.7113417517647865
EOS-4-03503,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc5c(F)cccc5c4)n23)c(F)c1F,SJWFNEFWKBKQEI-UHFFFAOYSA-N,4,1,0.315,96,26,434.381,3.783,5,0.467,0.8,1.0,0.35350558563498047,0.4517253786580769,0.8669727914467823,0.8586971420738811,0.6327252244534303
EOS-4-03504,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1-c1ccnnc1,WCXCCQSEZWTELN-UHFFFAOYSA-N,4,1,0.478,16,202,447.405,3.509,5,0.365,0.62,1.0,0.8945668562812693,0.7470701117126997,0.8194863271879926,0.7173857172229456,0.7946272531012268
EOS-4-03505,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4cnc(Cl)nc4)n23)c1,JKJNHRLHAUGZEH-UHFFFAOYSA-N,4,1,0.545,90,811,392.728,3.231,4,0.392,0.72,1.0,0.8650366664382153,0.9202162291823727,0.9371616064697417,0.9420961551641422,0.916127664313618
EOS-4-03506,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncc(Cl)cn1,BCAUDVQJRIBEPE-UHFFFAOYSA-N,4,1,0.518,73,82,469.267,4.063,5,0.38,0.65,1.0,0.8797289424988006,0.8948666986498527,0.6352974436296347,0.7173942841477623,0.7818218422315126
EOS-4-03507,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)cc3)n12,XINUXSWBZCDKSC-UHFFFAOYSA-N,4,1,0.597,35,922,417.469,4.675,5,0.402,0.72,1.0,0.92428551847029,0.9084966760331711,0.7829655266945378,0.7838050853265712,0.8498882016311425
EOS-4-03508,FC1CN(c2ccc(-c3cncc4nnc(-c5ccc(-c6cccnn6)c(Cl)c5)n34)cn2)C1,JPMPAKZULBHZBC-UHFFFAOYSA-N,4,1,0.321,96,121,458.888,4.122,6,0.4,0.75,1.0,0.11353745459529847,0.22887396340209717,0.45104859159756017,0.5930368035090124,0.3466242032759921
EOS-4-03510,Fc1cnnc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)c1,HYHKHHHEZXGBOZ-UHFFFAOYSA-N,4,1,0.477,72,820,418.367,2.896,5,0.429,0.75,1.0,0.7380919745048318,0.789921869645672,0.6028287985744637,0.6203481598245494,0.6877977006373792
EOS-4-03511,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncno5)nc4Cl)n23)c1F,PNSNSUIQANRMRF-UHFFFAOYSA-N,4,1,0.494,59,910,441.785,3.747,5,0.38,0.61,0.999,0.7561938866424508,0.7558426427249675,0.7552343910629841,0.7884483585772051,0.7639298197519019
EOS-4-03512,N#Cc1cc(-c2cccnc2F)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,XEUNEBSXNDFNTQ-UHFFFAOYSA-N,4,1,0.506,72,418,458.844,3.886,5,0.364,0.65,1.0,0.7079792337742444,0.810062709889658,0.8177386745253924,0.826879583304777,0.7906650503735179
EOS-4-03513,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)ccn1,CAGASAGXJIJUSP-UHFFFAOYSA-N,4,1,0.641,90,281,401.804,4.048,4,0.472,0.78,1.0,0.9229490781988897,0.9040247412788706,0.9247909670344733,0.9141422794873553,0.9164767664998972
EOS-4-03514,Clc1nc(-c2cnco2)ccc1-c1nnc2cncc(OCc3ccc(Br)cc3)n12,OOZUYNATWFAJNA-UHFFFAOYSA-N,4,1,0.615,97,109,483.713,4.836,5,0.33,0.71,1.0,0.7905129874580221,0.7899304365704887,0.7253615242272634,0.7492375436913166,0.7637606229867726
EOS-4-03515,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccsc1,FRAPRHKJFCPRAZ-UHFFFAOYSA-N,4,1,0.571,35,982,442.479,4.547,5,0.383,0.64,1.0,0.9229576451237064,0.9015746007813036,0.8609588102254815,0.8428997327119457,0.8820976972106093
EOS-4-03516,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)c(F)c1,ZNDSNSGFTNRDDO-UHFFFAOYSA-N,4,1,0.424,68,364,427.39,2.783,4,0.526,0.66,1.0,0.2617538208484682,0.40210575011993693,0.6447895963265027,0.4042217805496539,0.42821773696114046
EOS-4-03517,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,UNIMUJNHCBLRTK-UHFFFAOYSA-N,4,1,0.566,35,904,413.416,3.404,5,0.421,0.75,1.0,0.8020098005619902,0.8531286409430471,0.6208878760879994,0.5899441436501953,0.7164926153108081
EOS-4-03518,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nn5)n34)cn2)cn1,XADSVWCYBBYRCU-UHFFFAOYSA-N,4,1,0.461,92,52,453.388,2.975,5,0.4,0.71,1.0,0.3967342882598862,0.5145123706394352,0.7806952916181208,0.5743694743334933,0.5665778562127339
EOS-4-03519,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1F,DVYVFQYSGPATDY-UHFFFAOYSA-N,4,1,0.541,97,409,429.44,3.9,5,0.417,0.64,1.0,0.8694486327187992,0.7938283873620725,0.7409019258446988,0.6810191213761908,0.7712995168254404
EOS-4-03520,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4Cl)n23)ccn1,DWEYJVMCRUZKIJ-UHFFFAOYSA-N,4,1,0.583,11,0,452.902,4.724,5,0.347,0.71,1.0,0.887199300938935,0.9166181207593722,0.7714430128161195,0.7931173326022891,0.8420944417791789
EOS-4-03521,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5nc[nH]n5)c4)n23)n1,RGYJQUQQAMTVKQ-UHFFFAOYSA-N,4,1,0.441,47,164,425.334,2.363,5,0.426,0.6,1.0,0.7763689945857035,0.7641525597971353,0.5341477623192379,0.5352871633198547,0.6524891200054829
EOS-4-03522,Cc1nc(OCF)ccc1COc1cncc2nnc(-c3ccc(-c4ncc(F)cn4)nc3F)n12,UMLWPYXYDZFZCR-UHFFFAOYSA-N,4,1,0.439,73,775,480.41,3.51,5,0.323,0.64,1.0,0.8815708313343842,0.8560585292303474,0.4720632581728463,0.37969467479953395,0.6473468233842778
EOS-4-03523,FCc1nnc(-c2ccc(-c3nnc4cncc(OCCCc5ccc(F)cn5)n34)cc2F)o1,UZCCMSKVODCDOB-UHFFFAOYSA-N,4,1,0.479,37,563,467.411,3.996,5,0.316,0.69,0.999,0.8606247001576314,0.7856212733877047,0.3928620382427524,0.43637344938660816,0.6188703652936741
EOS-4-03524,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)ccc2F)cn1,RMBGZWMYAAWNEM-UHFFFAOYSA-N,4,1,0.484,37,490,463.423,3.991,5,0.376,0.66,1.0,0.9215955040778562,0.9145877595778219,0.7690956754163526,0.7492461106161332,0.8386312624220409
EOS-4-03525,N#Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)cn1,RQFGFWKMQZNDGS-UHFFFAOYSA-N,4,1,0.356,82,914,411.36,2.841,5,0.438,0.78,1.0,0.5588290727160579,0.7103008703995614,0.4995716537591666,0.4333064903022411,0.5505020217942568
EOS-4-03526,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1nccs1,YXDOLBUXWDNJQI-UHFFFAOYSA-N,4,1,0.511,1,383,451.458,4.781,5,0.37,0.72,1.0,0.9482814748817764,0.8467034473305463,0.866981358371599,0.7931258995271058,0.8637730450277568
EOS-4-03527,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnccn5)n4)n23)cn1,OYBMORBKHOEOEH-UHFFFAOYSA-N,4,1,0.472,55,540,418.367,2.896,5,0.402,0.63,1.0,0.64993831814132,0.6955828935645261,0.537548831471455,0.5217342882598862,0.6012010828592967
EOS-4-03528,Fc1cnc(-c2nccnc2-c2nnc3cncc(OCCc4ccnc(F)c4)n23)nc1,RLEZLQONJTZTKF-UHFFFAOYSA-N,4,1,0.455,18,262,433.382,2.333,5,0.372,0.58,1.0,0.7295164827633472,0.5798865739154273,0.19591700363237613,0.24343773559043247,0.4371894489753958
EOS-4-03529,Fc1cnccc1OCc1cncc2nnc(-c3ccc(-c4nccs4)c(F)c3)n12,VDZCSBTVQGDKBY-UHFFFAOYSA-N,4,1,0.421,14,189,422.42,4.167,5,0.423,0.77,1.0,0.5958638886985128,0.6137687615653485,0.7667740387910356,0.7438746487560826,0.6800703344527449
EOS-4-03530,Cc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cn1,MQEMZQYHVXDJEH-UHFFFAOYSA-N,4,1,0.575,90,811,402.792,3.443,4,0.476,0.69,1.0,0.8378795147693784,0.9040333082036872,0.8357634843396614,0.8268881502295936,0.8511411143855802
EOS-4-03531,N=c1[nH]cncc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,NGTKNGMATYDYNA-UHFFFAOYSA-N,4,1,0.529,34,929,448.849,3.427,5,0.425,0.72,1.0,0.732386402576931,0.82556027688301,0.6447981632513193,0.6663011445411555,0.7172614968131039
EOS-4-03532,O=C(c1ccc(Cc2cncc3nnc(-c4ccccc4Cl)n23)cn1)N1CCC(F)(F)C1,PSANXHNCMKXZMA-UHFFFAOYSA-N,4,1,0.398,66,345,454.868,3.912,5,0.467,0.88,0.991,0.1405661023918854,0.2798300322116373,0.20654855732986088,0.5051744225892674,0.28302977863066275
EOS-4-03533,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)cc1F,AMOIOGHJNIFIKZ-UHFFFAOYSA-N,4,1,0.511,62,504,470.439,4.088,5,0.402,0.9,1.0,0.3097971352203413,0.33972997052977866,0.7978291412514564,0.7307244191624974,0.5445201665410184
EOS-4-03534,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,URLRUWOENSLAFD-UHFFFAOYSA-N,4,1,0.524,35,76,413.416,3.404,5,0.394,0.8,1.0,0.8174473990816257,0.8498475087382633,0.5641148653279419,0.5321002672880543,0.6908775101089712
EOS-4-03535,Cc1ccnc(-c2c(F)cc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)n1,SAKZRMSLKOPDMY-UHFFFAOYSA-N,4,1,0.571,35,509,445.433,3.851,5,0.392,0.71,1.0,0.9216040710026728,0.8708793091631828,0.6238691659241998,0.5808546364197108,0.7493017956274415
EOS-4-03536,Fc1cc(-c2nnc3cncc(OCCc4ncc(F)c(F)n4)n23)ccc1-c1cscn1,DQZQZOFFNVMKTM-UHFFFAOYSA-N,4,1,0.5,37,795,455.425,3.744,5,0.36,0.57,1.0,0.9057895277911041,0.8708878760879994,0.5932681104790625,0.6171612637927489,0.7467766945377288
EOS-4-03537,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1Cl,CMRCPWNWWJSWJL-UHFFFAOYSA-N,4,1,0.712,59,96,452.852,4.702,5,0.386,0.71,1.0,0.9419505174422589,0.9238914399287231,0.9307449797820574,0.9290058940442739,0.9313982077993284
EOS-4-03538,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnsc5)n34)ccc2F)nc1,NYJWCJJODAKVAE-UHFFFAOYSA-N,4,1,0.537,97,89,422.42,4.167,5,0.423,0.73,1.0,0.8446987869234459,0.7812949763552876,0.8020612021108903,0.8082379549037078,0.8090732300733329
EOS-4-03539,Cc1cc(-c2nnc3cncc(OCc4cnc(C(F)F)cn4)n23)ccc1Cl,TVQXQNTZEXJLAC-UHFFFAOYSA-N,4,1,0.532,68,127,402.792,4.06,4,0.501,0.73,1.0,0.7705691864848194,0.9257418956891235,0.885134672058118,0.8501816188061133,0.8579068432595436
EOS-4-03540,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5cc(F)cc(F)c5F)n34)cc2F)n1,ATJYSBHEPGGXKM-UHFFFAOYSA-N,4,1,0.346,45,291,480.429,3.798,5,0.292,0.59,1.0,0.4281834692618738,0.5097405935165513,0.8468833527516962,0.8448701254197793,0.6574193852374751
EOS-4-03541,Cc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1cncs1,ZVJBWDFRVFUTRH-UHFFFAOYSA-N,4,1,0.538,97,332,451.914,5.595,5,0.348,0.79,1.0,0.8629634706325817,0.8397813720786786,0.9014289630594202,0.9016517031046536,0.8764563772188336
EOS-4-03542,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)ccn1,KJRDAOHIOFXLOF-UHFFFAOYSA-N,4,1,0.37,73,767,434.822,3.41,5,0.387,0.81,1.0,0.5644832430950586,0.6185748063874992,0.5137327804811185,0.5352957302446714,0.5580216400520869
EOS-4-03544,COc1cc(-c2nnc3cncc(OCc4c(F)ccc(C)c4F)n23)ccc1-c1c[nH]cn1,REALXKKNODMOPQ-UHFFFAOYSA-N,4,1,0.489,43,383,448.433,4.356,5,0.415,0.6,1.0,0.9073744088821877,0.6370793639915016,0.8921081488588856,0.7997395654855733,0.809075371804537
EOS-4-03545,Fc1ccc(-c2nnc3cncc(-c4ccc(Cn5cc(C(F)F)nn5)cn4)n23)cc1F,UCZYJIIKDMRDED-UHFFFAOYSA-N,4,1,0.368,22,844,440.364,3.709,5,0.388,0.74,1.0,0.2723768076211363,0.4162411760674388,0.8595367007059146,0.8568466863134809,0.6012503426769926
EOS-4-03546,CCc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)nn2)nc1,IMQZGWCPHNWZNW-UHFFFAOYSA-N,4,1,0.5,54,573,447.861,4.791,5,0.382,0.73,0.461,0.7650178192036187,0.7513878418203002,0.6917449112466589,0.7121341923103283,0.7300711911452266
EOS-4-03547,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5ncc(F)nn5)c4)n23)cc1F,BRPKXPBBMVWALL-UHFFFAOYSA-N,4,1,0.373,96,648,448.368,2.826,5,0.448,0.67,1.0,0.3150315262833253,0.33475258721129464,0.67546775409499,0.6841032143101912,0.5023387704749503
EOS-4-03550,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,JOVKNWPGBFKPHH-UHFFFAOYSA-N,4,1,0.448,58,262,466.839,3.591,5,0.35,0.64,1.0,0.8540453018984305,0.8971969021999863,0.49601637996024944,0.5583750257007745,0.7014084024398601
EOS-4-03551,COCc1ncc(-c2nnc3cncc(COc4c(F)ccc(F)c4F)n23)cn1,ZHTPUWSFNJJTKD-UHFFFAOYSA-N,4,1,0.4,68,811,402.336,2.724,4,0.458,0.81,1.0,0.7079878006990611,0.6858423000479748,0.7409104927695155,0.6810276883010075,0.7039420704543897
EOS-4-03552,N#Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)n1,KFUXJWKBUZNKJA-UHFFFAOYSA-N,4,1,0.462,4,799,458.844,3.886,5,0.389,0.73,1.0,0.8045541772325406,0.8924422589267357,0.7457508052909327,0.7647094099102186,0.8018641628401069
EOS-4-03553,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(CC(F)F)nc4)n23)c(F)c1F,LQBMUGLNIRBAST-UHFFFAOYSA-N,4,1,0.343,66,129,430.365,3.299,4,0.491,0.76,0.999,0.36740970461243233,0.48230073332876433,0.8969827290795696,0.844878692344596,0.6478929648413405
EOS-4-03554,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4ccncn4)c3)n12,NQZLUPHLIFBOMH-UHFFFAOYSA-N,4,1,0.571,75,583,414.404,2.799,5,0.418,0.64,1.0,0.8229045301898431,0.6808392159550408,0.4789510657254472,0.43638201631142487,0.604769207045439
EOS-4-03555,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ccn4)n23)ccc1Cl,IBWJZASOQQPREL-UHFFFAOYSA-N,4,1,0.54,4,817,440.854,3.747,5,0.406,0.73,1.0,0.7203156055102461,0.8948752655746693,0.8194948941128093,0.8061818929477075,0.810216914536358
EOS-4-03556,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c(F)c2)nn1,BMWKNLXZBHBAJP-UHFFFAOYSA-N,4,1,0.58,43,521,431.406,3.809,5,0.418,0.7,1.0,0.8559300253580975,0.8843550818998013,0.6970649715578096,0.6981187033102597,0.783867195531492
EOS-4-03557,CCn1c(Cc2cncc3nnc(-c4ccc(F)cc4)n23)nnc1C(F)c1cccc(F)n1,MDFWCLKKGRCOHF-UHFFFAOYSA-N,4,1,0.39,14,476,450.428,3.726,5,0.367,0.61,1.0,0.39467822630388594,0.509749160441368,0.36308340758001506,0.4584846823384278,0.4314988691659242
EOS-4-03558,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)cnn1,QFIKYERENAAGLT-UHFFFAOYSA-N,4,1,0.545,75,904,432.394,2.938,5,0.403,0.6,1.0,0.7763775615105202,0.7056575971489274,0.6294291001302172,0.6080631896374478,0.6798818621067781
EOS-4-03559,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,GERNEOQDMBDFSH-UHFFFAOYSA-N,4,1,0.524,97,666,422.42,4.167,5,0.396,0.67,1.0,0.8908488109108355,0.7856298403125214,0.7482694811870331,0.7200842985401961,0.7862081077376465
EOS-4-03560,CC(O)(c1ncc(Cc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nn1)C1CC1,WMAOYVHLBDFFDC-UHFFFAOYSA-N,4,1,0.38,78,5,425.855,2.977,5,0.524,0.58,1.0,0.367418271537249,0.5236447124940031,0.24910047289424989,0.47100095949557946,0.40279110410527036
EOS-4-03561,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccccc5F)cc4F)n23)cc1F,HVYVMXAYRHYVMO-UHFFFAOYSA-N,4,1,0.347,96,648,460.419,4.297,5,0.432,0.87,1.0,0.3221934754300596,0.4162497429922555,0.87507710232335,0.8716074977725995,0.6212819546295661
EOS-4-03562,CCOc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cccnc1,IYGATSQQNYYXHZ-UHFFFAOYSA-N,4,1,0.522,35,982,456.481,4.408,5,0.342,0.71,1.0,0.8629720375573984,0.8560670961551642,0.7333287643067644,0.6376533479542184,0.7725053114933864
EOS-4-03563,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cc2F)n1,ANWZFJLKXVRUII-UHFFFAOYSA-N,4,1,0.517,73,469,450.384,3.343,5,0.402,0.6,1.0,0.7679819751901857,0.7980347474470564,0.7071996436159276,0.6841117812350079,0.7393320368720444
EOS-4-03564,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cn2)nc1,MFNAVDANTZPZOH-UHFFFAOYSA-N,4,1,0.533,65,263,449.837,2.847,5,0.36,0.61,1.0,0.9306678774587074,0.9166266876841889,0.28561270646288806,0.3096600644232746,0.6106418340072648
EOS-4-03565,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cnn(C(F)F)c4)n23)nn1,CKIOMTFXFXXSGZ-UHFFFAOYSA-N,4,1,0.426,53,44,453.388,2.996,5,0.37,0.64,0.416,0.47776026317593034,0.44284147762319237,0.47531012267836337,0.45528065245699406,0.46279812898362005
EOS-4-03566,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c(F)c2)n1,DAQMZHSOLQSTKH-UHFFFAOYSA-N,4,1,0.573,43,521,431.406,3.809,5,0.418,0.75,1.0,0.8891182920978685,0.8764392433692002,0.7148070728531286,0.7121427592351449,0.7981268418888356
EOS-4-03567,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)nc3F)n12,GNDBOOZCPVMZND-UHFFFAOYSA-N,4,1,0.43,55,223,440.801,3.482,5,0.417,0.53,0.988,0.8020183674868069,0.8063189637447742,0.7409190596943321,0.7542491947090673,0.7758763964087451
EOS-4-03568,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccnc5F)n34)cn2)nc1,QEKMFBJOOKCQAK-UHFFFAOYSA-N,4,1,0.444,55,242,432.394,3.204,5,0.39,0.69,1.0,0.835283736549928,0.7513964087451168,0.5068107052292509,0.4584932492632445,0.637996024946885
EOS-4-03569,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccccn5)cc4F)n23)nn1,RSUSDRZAZLRKRS-UHFFFAOYSA-N,4,1,0.523,72,799,417.379,3.501,5,0.432,0.74,1.0,0.7412960043862655,0.7558512096497841,0.672452196559523,0.6781406346377904,0.7119350113083408
EOS-4-03570,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)c(Cl)c3)n12,ZCMSJDARGZJJAB-UHFFFAOYSA-N,4,1,0.583,11,595,452.902,4.724,5,0.347,0.66,1.0,0.9148362003975054,0.9239000068535399,0.7457593722157494,0.7743643341786033,0.8397149784113495
EOS-4-03571,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cn2)ccn1,LQYWAKYYMQDIDG-UHFFFAOYSA-N,4,1,0.441,55,879,431.406,3.809,5,0.391,0.69,1.0,0.8447073538482627,0.7770115139469536,0.7619594270440683,0.6895946131176752,0.7683182269892399
EOS-4-03572,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)o1)N1CCCC(F)(F)C1,SIOJQEQMKQICGT-UHFFFAOYSA-N,4,1,0.466,78,345,457.868,4.5,5,0.451,0.88,1.0,0.3198547049551093,0.38309574395175106,0.15383626893290384,0.4768521691453636,0.3334097217462819
EOS-4-03573,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnc(F)nc5)c4)n23)n1,FEIIPLULIHVWSU-UHFFFAOYSA-N,4,1,0.523,75,434,418.367,2.896,5,0.317,0.71,1.0,0.5841529024741279,0.5608594338976081,0.5899869782742787,0.5321088342128709,0.5667770372147214
EOS-4-03574,Fc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,AHSMHCGMHQAFBH-UHFFFAOYSA-N,4,1,0.556,35,143,413.416,3.404,5,0.394,0.78,1.0,0.8834812555685011,0.8679151531766157,0.5030241244602838,0.4829518196148311,0.6843430882050578
EOS-4-03575,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ccncc1,JZYQLPOMYVZJHK-UHFFFAOYSA-N,4,1,0.384,14,257,428.427,3.975,5,0.378,0.82,1.0,0.5869799876636282,0.5418151600301556,0.7932115687752724,0.6841203481598246,0.6515317661572202
EOS-4-03576,FC(F)(F)c1ccc(COc2cncc3nnc(-c4cccc(-c5ncsn5)c4)n23)nn1,IVAPEZRSNFOBEO-UHFFFAOYSA-N,4,1,0.543,27,52,456.413,3.698,5,0.394,0.67,1.0,0.4675142210951957,0.5652285655541087,0.7619679939688849,0.6111729833458982,0.6014709409910219
EOS-4-03577,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,JQOJIAGMJHITOZ-UHFFFAOYSA-N,4,1,0.588,72,202,414.404,2.799,5,0.418,0.7,1.0,0.8540538688232472,0.9292714687135906,0.5709427044068262,0.5550167911726407,0.7273212082790761
EOS-4-03578,FC(F)(F)c1cccc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)cn2)n1,ZDEURKKBGIWBAS-UHFFFAOYSA-N,4,1,0.607,58,579,469.452,4.345,5,0.365,0.75,0.999,0.7589524364334178,0.84985607566308,0.7571619491467343,0.6080717565622644,0.743510554451374
EOS-4-03579,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,FKDNVFRULNCKHW-UHFFFAOYSA-N,4,1,0.483,59,109,438.875,4.681,5,0.396,0.79,1.0,0.7503084092934,0.714927009800562,0.80018504557604,0.8210626413542594,0.7716207765060653
EOS-4-03580,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5cc(F)cnc5F)n34)cn2)cn1,XFBABJDLKDAVMW-UHFFFAOYSA-N,4,1,0.418,55,735,418.367,3.417,5,0.409,0.68,1.0,0.7849873209512713,0.7856384072373381,0.5709512713316428,0.49823521348776645,0.6599530532520047
EOS-4-03581,Cc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)ccc1Cl,MQLLXYOMKCQKKY-UHFFFAOYSA-N,4,1,0.746,48,231,399.281,5.028,4,0.473,0.86,1.0,0.9707696525255294,0.9855647316839148,0.9247995339592899,0.9490353642656432,0.9575423206085943
EOS-4-03582,Fc1ccc(F)c(-c2nnc3cncc(OCc4cc(-c5cscn5)ncn4)n23)c1F,YGGFVRXJNHWLMV-UHFFFAOYSA-N,4,1,0.494,24,633,441.398,3.701,5,0.384,0.6,1.0,0.7015883078610102,0.7149355767253787,0.7409276266191488,0.7363186210677816,0.7234425330683297
EOS-4-03584,Fc1cc(-c2ncccn2)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,YYAYACIRFQDMQJ-UHFFFAOYSA-N,4,1,0.519,73,196,434.822,3.41,5,0.414,0.64,1.0,0.7233311630457131,0.7427266808306491,0.46156877527242823,0.5118137893221849,0.6098601021177439
EOS-4-03586,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)ccn1,MDELQQYLLVBNCA-UHFFFAOYSA-N,4,1,0.417,14,189,422.42,4.167,5,0.396,0.8,1.0,0.5511873757795902,0.6615893358919882,0.7619765608937016,0.7414759098074155,0.6790572955931738
EOS-4-03587,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5cnsc5)n34)ccc2F)c1,MTTPYPDEQCPVBZ-UHFFFAOYSA-N,4,1,0.549,97,89,422.42,4.167,5,0.423,0.68,1.0,0.8045627441573573,0.7514049756699335,0.8080066479336577,0.8170961551641422,0.7952676307312727
EOS-4-03588,Fc1cc(-c2nccnn2)ccc1-c1nnc2cncc(OC3CCCc4cccnc43)n12,XLYRZXMHRQPJKZ-UHFFFAOYSA-N,4,1,0.414,37,353,440.442,3.634,6,0.417,0.46,1.0,0.7763861284353368,0.8139520937564252,0.23838324994859844,0.3473116989925296,0.5440082927832225
EOS-4-03589,Cc1nccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)nn2)n1,COUFJCGDWXOSLI-UHFFFAOYSA-N,4,1,0.413,54,445,450.384,3.343,5,0.376,0.73,0.316,0.8097800013707079,0.7194075114796793,0.7097782879857446,0.6841289150846412,0.7307736789801933
EOS-4-03590,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)cc1F,SGAKBFCZPQKGIS-UHFFFAOYSA-N,4,1,0.354,0,129,440.385,2.595,4,0.508,0.87,1.0,0.4233859913645398,0.4693989445548626,0.7529984236858337,0.6346206565691179,0.5701010040435885
EOS-4-03591,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1ccsn1,YSTSYUKHJAOEHL-UHFFFAOYSA-N,4,1,0.517,43,383,451.458,4.781,5,0.37,0.67,1.0,0.9119834144335549,0.798043314371873,0.8874734425330684,0.8369457199643616,0.8586114728257145
EOS-4-03592,N#Cc1ncc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cn1,BRLUCJFHYMQDMN-UHFFFAOYSA-N,4,1,0.736,90,811,422.246,2.837,4,0.487,0.87,1.0,0.7933914741964224,0.8397899390034953,0.48245493797546435,0.4710095264203961,0.6466614693989446
EOS-4-03593,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncn5)n34)cc2F)cn1,QXHCDKKPKGBYJK-UHFFFAOYSA-N,4,1,0.495,87,563,432.394,2.938,5,0.403,0.68,1.0,0.9242940853951066,0.8622010143238983,0.5743866081831266,0.5516071550956069,0.7281222157494346
EOS-4-03594,Fc1cc(Cl)nc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,XOKVWBCLHWFTEN-UHFFFAOYSA-N,4,1,0.667,23,400,404.232,4.254,4,0.466,0.79,1.0,0.9857789048043314,0.9905335480775821,0.8595452676307312,0.9206617092728394,0.939129857446371
EOS-4-03595,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1F,CRIBFDZWTGFHLH-UHFFFAOYSA-N,4,1,0.543,34,332,437.385,3.583,5,0.418,0.71,1.0,0.8402268521691454,0.8362089644301282,0.8357720512644781,0.8448872592694127,0.839273781783291
EOS-4-03597,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5nn[nH]n5)c4)n23)c1,VKQCCFPQLQZSED-UHFFFAOYSA-N,4,1,0.511,47,6,425.334,2.363,5,0.426,0.67,1.0,0.8815793982592008,0.8329278322253444,0.6861678431910082,0.6981272702350764,0.7747005859776575
EOS-4-03598,N#CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cc1F,PSDUGHRNDAAOQC-UHFFFAOYSA-N,4,1,0.367,0,682,431.818,3.376,4,0.494,0.83,1.0,0.42339455828935646,0.5514015489000068,0.9097560139812213,0.9086166129806045,0.6982921835377972
EOS-4-03599,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4Cl)n23)c1F,QCSNZHVNNVAHMK-UHFFFAOYSA-N,4,1,0.449,97,606,447.861,4.323,5,0.37,0.67,1.0,0.7705777534096361,0.7813035432801042,0.7148156397779453,0.6981358371598931,0.7412081934068946
EOS-4-03600,Clc1cncc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,ZFGRWIQNMSXXTA-UHFFFAOYSA-N,4,1,0.552,65,263,465.304,3.967,5,0.371,0.67,1.0,0.8540624357480638,0.9015831677061202,0.47531868960318,0.5646460146665753,0.6989025769309849
EOS-4-03601,Fc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1ncco1,UISZLNWUCZYHCA-UHFFFAOYSA-N,4,1,0.56,4,31,422.807,4.213,5,0.392,0.72,1.0,0.804571311082174,0.7938369542868892,0.7357789048043314,0.7517048180385169,0.7714729970529779
EOS-4-03602,Cc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3cc(F)cc(Cl)c3)n12,MCRGSNQBNMNGFA-UHFFFAOYSA-N,4,1,0.531,55,16,447.861,4.323,5,0.396,0.73,1.0,0.8329021314508944,0.8294068261256939,0.7021794256733603,0.7121513261599616,0.7691599273524776
EOS-4-03603,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5cnccc5F)n34)c2)cc1,CHBZAWWERGNCEI-UHFFFAOYSA-N,4,1,0.506,19,207,431.406,3.543,5,0.406,0.68,1.0,0.7988828730039065,0.710309437324378,0.7333373312315811,0.7719827290795696,0.7536280926598588
EOS-4-03604,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(Cl)cc4F)n23)cc1F,WFRMNDHXBSHBIZ-UHFFFAOYSA-N,4,1,0.4,23,678,442.857,4.085,4,0.47,0.83,1.0,0.36502809951339865,0.4561716126379275,0.7595521211705846,0.7363271879925982,0.5792697553286272
EOS-4-03605,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)ccc1-c1ccsc1,HWBMXKDJUYKIQE-UHFFFAOYSA-N,4,1,0.588,91,313,480.952,5.942,5,0.288,0.65,1.0,0.9419590843670756,0.9306421766842574,0.9248081008841066,0.9073744088821877,0.9261959427044067
EOS-4-03606,Cc1ccc(F)cc1COc1cncc2nnc(-c3ccc(C)c(-c4ccnnc4)c3)n12,WSYJHMSEHOGNSB-UHFFFAOYSA-N,4,1,0.548,43,202,426.455,4.583,5,0.409,0.7,1.0,0.8124186142142417,0.832936399150161,0.8653450757316153,0.8061904598725241,0.8292226372421355
EOS-4-03607,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)n1,YESQLUKQEUHFQP-UHFFFAOYSA-N,4,1,0.593,43,521,431.406,3.809,5,0.418,0.73,1.0,0.9267784935919402,0.8498646425878966,0.7148242067027619,0.7147899390034953,0.8015643204715235
EOS-4-03608,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1F,JQWXXJHBNGMFJI-UHFFFAOYSA-N,4,1,0.543,34,332,452.852,4.702,5,0.386,0.66,1.0,0.9041789459255706,0.8791378246864505,0.9116835720649715,0.9195822767459393,0.9036456548557329
EOS-4-03609,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)nc3)n12,DGWVLEVBENJTJZ-UHFFFAOYSA-N,4,1,0.523,35,904,413.416,3.404,5,0.421,0.77,1.0,0.8737920636008498,0.8843636488246179,0.6059899938318142,0.5774364334178603,0.7353955349187856
EOS-4-03611,Fc1nc(-c2ccc(-c3nnc4cncc(COc5nc(Cl)ncc5Cl)n34)cc2F)n[nH]1,HCLJQVCXJJDXPX-UHFFFAOYSA-N,4,1,0.371,47,164,476.234,3.53,5,0.383,0.63,1.0,0.6807963813309574,0.7598947981632513,0.5641234322527585,0.6317593036803509,0.6591434788568296
EOS-4-03612,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncc(Cl)nn1,VVXIFBDSCGQXIV-UHFFFAOYSA-N,4,1,0.518,36,208,470.255,3.458,5,0.381,0.66,1.0,0.8424885203207456,0.9065262833253376,0.4687392913439792,0.5808632033445275,0.6996543245836474
EOS-4-03614,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4F)n23)ccn1,PMQSDAUAQIFMQM-UHFFFAOYSA-N,4,1,0.523,58,143,432.394,2.938,5,0.377,0.68,1.0,0.8470889589472963,0.8467120142553629,0.5964550065108628,0.5679528476458091,0.7145522068398328
EOS-4-03615,N#Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5nc[nH]n5)c4F)n23)ccc1F,TYFUYQKTKAHNMX-UHFFFAOYSA-N,4,1,0.462,47,702,449.356,2.839,5,0.433,0.52,1.0,0.820223082722226,0.7470786786375163,0.7381947776026317,0.7253615242272634,0.7577145157974093
EOS-4-03616,N#Cc1cc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,UKKYYLOEGKGJKS-UHFFFAOYSA-N,4,1,0.505,11,201,427.399,3.474,5,0.378,0.62,0.995,0.9104242341169214,0.8100712768144747,0.6724607634843397,0.6171698307175656,0.7525315262833253
EOS-4-03617,NC(=O)c1ccc(-c2nnc3cncc(-c4cncnc4-c4ccc(C(F)F)nc4)n23)cc1F,PPTQCDHAXAQMQQ-UHFFFAOYSA-N,4,1,0.318,96,478,462.395,3.486,5,0.424,0.69,0.86,0.31252998423685835,0.3689089164553492,0.7954218353779727,0.7253700911520801,0.550557706805565
EOS-4-03618,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(Oc4nccnn4)nc3)n12,IIZXNKAUXYURBR-UHFFFAOYSA-N,4,1,0.663,84,73,430.403,2.924,5,0.384,0.66,1.0,0.6957799328353095,0.6468884929065862,0.3966057843876362,0.3313600849838942,0.5176585737783566
EOS-4-03619,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c(F)n2)ccn1,NIFRJMPCKMUMRH-UHFFFAOYSA-N,4,1,0.489,58,271,432.394,2.938,5,0.377,0.64,1.0,0.8072698923994243,0.8218079638133096,0.567695839901309,0.5516157220204235,0.6870973545336165
EOS-4-03620,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cscn1,CDAZKVQHEYWXAK-UHFFFAOYSA-N,4,1,0.583,11,595,436.447,4.21,5,0.371,0.74,1.0,0.9203018984305393,0.8869851278185182,0.7434634363648824,0.7335172366527312,0.8210669248166678
EOS-4-03621,N#Cc1cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)ccc1Cl,FVGCGLHRBTXUTA-UHFFFAOYSA-N,4,1,0.584,90,636,412.24,3.381,4,0.495,0.76,1.0,0.9440322801727092,0.962888081694195,0.6504694674799534,0.7568621067781509,0.8285629840312521
EOS-4-03622,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1cnc(Cl)nn1,TXCNNHTXVHRDCQ-UHFFFAOYSA-N,4,1,0.457,55,390,470.255,3.458,5,0.356,0.62,0.998,0.7108405866630114,0.8708964430128161,0.454792337742444,0.5583835926255911,0.6487282400109657
EOS-4-03623,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)ccc1Cl,NENWREMLDZGHSB-UHFFFAOYSA-N,4,1,0.375,0,21,446.873,4.358,5,0.466,0.91,0.997,0.26965252552943597,0.4066976218216709,0.20655712425467754,0.577445000342677,0.36508806798711535
EOS-4-03624,Fc1cc(F)nc(COc2cncc3nnc(-c4ccnc(-c5cnnc(F)c5)c4)n23)c1,ABOZCNLUMCZPDL-UHFFFAOYSA-N,4,1,0.511,4,486,436.357,3.035,5,0.387,0.66,1.0,0.5099204989377013,0.6415769995202522,0.7357874717291482,0.7200928654650127,0.6518444589130286
EOS-4-03625,Cc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1ccsc1,JASRLXOPAVQCQI-UHFFFAOYSA-N,4,1,0.427,13,110,421.432,5.294,5,0.394,0.73,1.0,0.6411829209786855,0.6228325680213831,0.8486224384894798,0.8429082996367624,0.7388865567815778
EOS-4-03626,Fc1cnc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1cncnc1,HDDVEACWHRZJMG-UHFFFAOYSA-N,4,1,0.418,51,435,435.81,2.805,5,0.384,0.64,1.0,0.7413045713110822,0.8764478102940169,0.35909978754026456,0.4110410527037215,0.5969733054622712
EOS-4-03627,Clc1cncc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,VRICCOFXIJZUPT-UHFFFAOYSA-N,4,1,0.512,2,980,455.33,5.196,5,0.363,0.74,1.0,0.7139332465218285,0.6808477828798575,0.7954304023027894,0.8519806730176136,0.7605480261805222
EOS-4-03628,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4ncc(-c5cncnc5)cn4)n23)nc1,LPEISZYOVIIFDT-UHFFFAOYSA-N,4,1,0.284,94,874,449.413,2.696,6,0.395,0.74,0.992,0.2536495099719005,0.32549174148447674,0.2528527859639504,0.3030121307655404,0.283751542046467
EOS-4-03629,N#Cc1cc(NCc2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)ccc1Cl,PWBLGTIQVMCNPF-UHFFFAOYSA-N,4,1,0.436,23,678,421.823,3.166,4,0.51,0.85,1.0,0.332525186758961,0.4021143170447536,0.8214310191213762,0.7954218353779727,0.5878730895757659
EOS-4-03630,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)c1,QCULPLFLUSXHJI-UHFFFAOYSA-N,4,1,0.489,73,930,452.812,3.549,5,0.373,0.71,1.0,0.6778236584195737,0.8433280789527791,0.6118240696319649,0.6464173120416695,0.6948482797614968
EOS-4-03632,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ncccn5)nn4)n23)c1,XCYXVCNSUOABTH-UHFFFAOYSA-N,4,1,0.447,54,411,418.367,2.896,5,0.429,0.68,0.993,0.7323949695017477,0.6273216366253169,0.5100661366595847,0.5483088890411898,0.6045229079569598
EOS-4-03633,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncn5)n34)ccn2)cc1,RZGJFGMILIOVOB-UHFFFAOYSA-N,4,1,0.523,4,675,417.379,3.501,5,0.404,0.79,1.0,0.7139418134466452,0.7285141525597971,0.757170516071551,0.7517133849633335,0.7378349667603317
EOS-4-03634,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)c1,YLSJYYLPVFYGQV-UHFFFAOYSA-N,4,1,0.583,90,281,402.336,2.943,4,0.47,0.76,1.0,0.847097525872113,0.9396374477417586,0.8141662668768419,0.7542577616338839,0.8387897505311493
EOS-4-03635,Clc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)cn2)nc1,BTSWVAFPEBGEGH-UHFFFAOYSA-N,4,1,0.533,65,263,465.304,3.967,5,0.371,0.73,1.0,0.8494791309711466,0.9166352546090055,0.492623877732849,0.5774535672674936,0.7090479576451237
EOS-4-03637,N#Cc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,AJYLVDLPQVPDPF-UHFFFAOYSA-N,4,1,0.529,35,352,442.479,4.547,5,0.359,0.69,1.0,0.9073829758070043,0.9015917346309369,0.8437906928928792,0.82484065519841,0.8694015146323075
EOS-4-03638,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nn4)n23)c1F,VXDQXDCBKLLNFY-UHFFFAOYSA-N,4,1,0.442,54,411,418.367,2.896,5,0.429,0.71,0.883,0.7503169762182167,0.6370879309163183,0.517433692001919,0.5421664039476389,0.6117512507710232
EOS-4-03639,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccc(-c4ncon4)c(Cl)c3)n12,WDKMLVFPHRLWBK-UHFFFAOYSA-N,4,1,0.518,73,325,441.785,3.747,5,0.38,0.67,1.0,0.8694571996436159,0.8177643752998424,0.7871718867795217,0.8106024261531081,0.821248971969022
EOS-4-03640,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1cscn1,ZEIJXEHRMSRNSK-UHFFFAOYSA-N,4,1,0.461,73,379,457.853,4.215,5,0.365,0.7,1.0,0.894575423206086,0.8498732095127133,0.6833835926255911,0.7307329860873141,0.7896413028579262
EOS-4-03641,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)c(F)c1,NHPNXZZOCYSOSL-UHFFFAOYSA-N,4,1,0.734,23,406,457.868,4.094,4,0.452,0.77,1.0,0.7934000411212391,0.6228411349461997,0.8323624151874444,0.7931344664519224,0.7604345144267013
EOS-4-03642,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCOc3cccc(Cl)n3)n12,WMNORDCEUGUESX-UHFFFAOYSA-N,4,1,0.472,11,0,468.901,4.56,5,0.255,0.71,1.0,0.8908573778356521,0.8734579535329998,0.6833921595504078,0.678149201562607,0.7814641731204166
EOS-4-03643,Cc1cnccc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cn1,PFCLFFCMWQPYCY-UHFFFAOYSA-N,4,1,0.554,97,109,412.428,4.275,5,0.429,0.72,1.0,0.8606332670824481,0.7980518812966897,0.7759320814200534,0.7335258035775478,0.7920357583441848
EOS-4-03644,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)ccc2F)s1,YEZVUQLVFMBKOL-UHFFFAOYSA-N,4,1,0.517,4,71,454.437,4.615,5,0.361,0.73,1.0,0.7324035364265643,0.8139606606812418,0.8307004317730108,0.8061990267973408,0.7958159139195394
EOS-4-03645,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCc3sccc3F)n12,WGGFOFVNICZLKM-UHFFFAOYSA-N,4,1,0.518,4,0,427.461,4.834,5,0.402,0.71,1.0,0.7734562401480365,0.817772942224659,0.785201494071688,0.7931430333767391,0.7923934274552806
EOS-4-03646,Fc1cnnc(Oc2cc(CCOc3cncc4nnc(-c5ccc(F)c(Cl)c5)n34)ncn2)c1,FJPUOVOALAOUOA-UHFFFAOYSA-N,4,1,0.538,37,391,482.838,3.717,5,0.342,0.65,1.0,0.9280806661640737,0.94935234048386,0.667037900075389,0.6691796312795559,0.8034126345007196
EOS-4-03647,Fc1cc(CCOc2cncc3nnc(-c4cccs4)n23)ccc1Br,WDBWYUUMXFSAEX-UHFFFAOYSA-N,4,1,0.658,90,281,419.279,4.376,4,0.482,0.92,1.0,0.6411914879035021,0.4386094167637585,0.7759406483448701,0.7884569255020218,0.6610496196285381
EOS-4-03648,O=C(NCCF)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(F)c4)n23)cc1,AUKUMCMEXKCVCE-UHFFFAOYSA-N,4,1,0.434,48,678,426.402,3.381,4,0.473,0.86,1.0,0.42819203618669044,0.5009937632787335,0.702187992598177,0.6171783976423822,0.5621380474264958
EOS-4-03649,Clc1ccc(-c2nnc3cncc(-c4ncc(-c5cncc(Cl)c5)cn4)n23)cc1,HSEMVGHGHWOPPN-UHFFFAOYSA-N,4,1,0.448,96,736,420.263,4.617,5,0.424,0.87,1.0,0.29940545541772323,0.5698204372558426,0.7619851278185182,0.8800887533411007,0.6278249434582962
EOS-4-03650,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnco5)n4)n23)ccc1Cl,VYVDTFHPTAVDNK-UHFFFAOYSA-N,4,1,0.535,4,71,447.817,4.084,5,0.395,0.72,1.0,0.8471060927969296,0.8924508258515523,0.8390360496196285,0.8390874511685286,0.8544201048591598
EOS-4-03651,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccc5F)cn4)n23)cc1F,OJPSVBXWCLHSQK-UHFFFAOYSA-N,4,1,0.364,45,802,460.419,4.297,5,0.432,0.82,1.0,0.3582944966074978,0.43861798368857513,0.9057980947159208,0.8938386676718525,0.6491373106709616
EOS-4-03653,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5nncs5)c4)n23)c1F,AINCBUPKBNMABV-UHFFFAOYSA-N,4,1,0.536,43,178,422.42,4.167,5,0.423,0.65,1.0,0.8045798780069906,0.7980604482215065,0.8161195257350421,0.8106109930779247,0.807342711260366
EOS-4-03654,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)ccc1F,OAXGPTNDADCBRN-UHFFFAOYSA-N,4,1,0.462,73,930,459.832,3.281,5,0.388,0.71,1.0,0.7763946953601535,0.8843722157494346,0.5274227263381537,0.5321174011376876,0.6800767596463573
EOS-4-03655,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1F,XDLLPLXERPKNCC-UHFFFAOYSA-N,4,1,0.738,23,721,457.868,4.094,4,0.452,0.85,1.0,0.8045884449318073,0.6273302035501337,0.832370982112261,0.8018727297649236,0.7665405900897814
EOS-4-03656,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCc3cnc(Cl)c(F)c3)n12,OIGORWNETLZGGO-UHFFFAOYSA-N,4,1,0.483,16,772,457.853,4.215,5,0.365,0.69,1.0,0.8447159207730793,0.8467205811801796,0.8020697690357069,0.8190494140223425,0.8281389212528272
EOS-4-03657,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c(F)c1,SLRFYFIIMZWHPA-UHFFFAOYSA-N,4,1,0.437,13,995,403.352,3.714,5,0.452,0.74,1.0,0.6013981221300801,0.6468970598314029,0.8102254814611747,0.8106195600027414,0.7172850558563498
EOS-4-03658,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC(F)F)nc4)n23)cc1F,YFGWKLIIAUJFFL-UHFFFAOYSA-N,4,1,0.349,66,999,428.374,3.344,4,0.506,0.86,1.0,0.604396545815914,0.6711757247618395,0.8123757795901583,0.7063772188335276,0.6985813172503598
EOS-4-03659,FCc1nc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)ccc1-c1ccsc1,PFNDWAAKYSLZFJ-UHFFFAOYSA-N,4,1,0.489,84,752,467.476,5.284,5,0.326,0.56,1.0,0.6591734630936879,0.6759046672606401,0.8288414090877938,0.8369542868891783,0.750218456582825
EOS-4-03660,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5cc(F)ncn5)c4)n23)c1F,KRMLWFPPMPCVNK-UHFFFAOYSA-N,4,1,0.441,75,486,432.394,3.204,5,0.39,0.62,1.0,0.7562024535672675,0.6040367349736139,0.6353060105544514,0.5483174559660065,0.6359656637653348
EOS-4-03661,Cc1ncnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)n1,RUUNOSDCGBXICW-UHFFFAOYSA-N,4,1,0.533,37,161,446.421,3.246,5,0.392,0.68,1.0,0.9216126379274896,0.8791463916112672,0.5607394969501748,0.5083527516962512,0.7174628195462958
EOS-4-03662,Clc1ccc(-c2ncncc2-c2nnc3cncc(Cc4cnc(CC5CC5)nc4)n23)cc1,WMPYREDZGWSEGV-UHFFFAOYSA-N,4,1,0.326,85,81,454.925,4.235,6,0.378,0.78,0.999,0.24567370296758276,0.34954766636967993,0.1215132615996162,0.36992838050853266,0.27166575286135286
EOS-4-03663,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncco5)nn4)n23)cc1F,ZUVPDBLCEQCWOT-UHFFFAOYSA-N,4,1,0.442,54,445,425.33,3.233,5,0.396,0.63,0.931,0.7705863203344527,0.579895140840244,0.7409361935439654,0.7387773284901652,0.7075487458022068
EOS-4-03664,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ccc(F)cn1,WUPGOZLAHSCMHY-UHFFFAOYSA-N,4,1,0.511,11,777,494.889,4.81,5,0.3,0.63,1.0,0.9669573709821122,0.9337948050167911,0.8838924679597012,0.8466606127064629,0.9078263141662668
EOS-4-03665,O=C(NCc1cnc(Cl)c(F)c1)c1ccc(-c2nnc3cncc(Br)n23)cc1,KFOVXRLYLDZMFQ-UHFFFAOYSA-N,4,1,0.557,90,861,461.682,3.671,4,0.469,0.91,1.0,0.4304622712631074,0.42512507710232333,0.7357960386539648,0.714798505928312,0.5765454732369268
EOS-4-03666,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)c1F,QTJPFAGZFJUEJY-UHFFFAOYSA-N,4,1,0.437,54,411,418.367,2.896,5,0.429,0.76,0.997,0.7295250496881639,0.6322133506956343,0.6089198821191145,0.620356726749366,0.6477537523130698
EOS-4-03667,Fc1cc(-c2cnc(-c3cnccn3)nn2)ccc1-c1nnc2cncc(Br)n12,DIHHNOIBJOOPEQ-UHFFFAOYSA-N,4,1,0.571,50,261,450.235,3.002,5,0.413,0.67,1.0,0.327367898019327,0.44745048317455965,0.32940682612569394,0.4142707833596052,0.3796239976697965
EOS-4-03668,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nc(Cl)ncc5F)n34)c(F)n2)nc1,BRMBABYTBRWKNZ-UHFFFAOYSA-N,4,1,0.441,73,263,485.817,3.126,5,0.264,0.52,1.0,0.8872078678637516,0.9239085737783566,0.38182783907888423,0.4552892193818107,0.6620583750257008
EOS-4-03671,Fc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,UIIQCKLVDQYTSG-UHFFFAOYSA-N,4,1,0.603,11,922,412.428,4.009,5,0.419,0.79,1.0,0.8149030224110754,0.9085052429579878,0.6386385443081352,0.6721095195668563,0.7585390823110136
EOS-4-03672,Fc1c(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ncnc1-c1cncnc1,RTYUFWQSAMKXRB-UHFFFAOYSA-N,4,1,0.424,7,435,435.81,2.805,5,0.384,0.58,1.0,0.7108491535878281,0.8649595641148653,0.4180316633541224,0.46161160989651157,0.6138629977383319
EOS-4-03673,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1cnccn1,DDSMUXXITOSIQV-UHFFFAOYSA-N,4,1,0.511,35,982,461.432,3.552,5,0.339,0.62,1.0,0.8978137207867863,0.7980690151463231,0.7333458981563977,0.6111815502707149,0.7601025460900556
EOS-4-03674,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5nccnc5F)c4)n23)nc1,VNUFQXUUGGOTOQ-UHFFFAOYSA-N,4,1,0.443,51,48,419.355,2.29,5,0.423,0.64,1.0,0.6778322253443904,0.6185833733123158,0.2782622849701871,0.27901617435405385,0.4634235144952368
EOS-4-03675,Cc1cc(-c2nnc3cncc(COc4cccc(F)c4F)n23)cc(-c2ccsc2)n1,ADUQPOWCLHVAEI-UHFFFAOYSA-N,4,1,0.404,14,189,435.459,5.08,5,0.385,0.81,1.0,0.5559934206017408,0.5418237269549723,0.862517990542115,0.8330220683983277,0.6983393016242889
EOS-4-03676,C#Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)cn1,PWEQHTMVCLIVFR-UHFFFAOYSA-N,4,1,0.521,65,981,438.426,2.78,5,0.294,0.64,1.0,0.8606418340072648,0.8816307998081009,0.4615773421972449,0.39838770474950314,0.6505594201905285
EOS-4-03677,O=C(c1ccc(-c2cncc3nnc(-c4cc(F)ccc4F)n23)c(F)c1)N1CCC1,QZHNUIGANSMVRO-UHFFFAOYSA-N,4,1,0.394,0,999,409.371,3.722,5,0.517,0.9,0.998,0.28573264341032145,0.4162583099170722,0.3184497292851758,0.6492272633815366,0.4174169864985265
EOS-4-03678,N#Cc1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)c1,QYKCOPYHDDKSCL-UHFFFAOYSA-N,4,1,0.506,51,946,459.832,3.281,5,0.388,0.59,1.0,0.9280892330888905,0.967505654170379,0.7072082105407443,0.7438832156808992,0.8366715783702283
EOS-4-03679,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,ULIDLLFIGQQACJ-UHFFFAOYSA-N,4,1,0.724,88,876,450.424,4.231,5,0.387,0.74,1.0,0.9679254334863957,0.9450346103762594,0.9047272291138373,0.8842694126516346,0.9254891714070317
EOS-4-03680,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)c(F)c4)n23)c(F)n1,SPCISSDFIFMUHI-UHFFFAOYSA-N,4,1,0.518,47,6,425.334,2.363,5,0.426,0.67,1.0,0.8815879651840175,0.8100798437392913,0.6808649167294908,0.6750651086286067,0.7618994585703516
EOS-4-03681,Clc1ccc(-c2nnc3cncc(OCCc4cccc(-c5cscn5)c4)n23)cc1,HLNBUHCVJWLIJB-UHFFFAOYSA-N,4,1,0.757,91,660,433.924,5.19,5,0.368,0.82,1.0,0.9810156946062641,0.9855732986087314,0.7643410321431019,0.8018812966897403,0.8832028305119595
EOS-4-03682,COc1cc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1ccsn1,NGRBZRQEFYEXKF-UHFFFAOYSA-N,4,1,0.528,1,383,451.458,4.781,5,0.37,0.74,1.0,0.920310465355356,0.8139692276060585,0.8884843396614351,0.8369628538139949,0.8649317216092111
EOS-4-03683,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc1-c1cnccn1,WKYSXDYXTJYTMW-UHFFFAOYSA-N,4,1,0.427,46,128,434.822,3.41,5,0.414,0.65,1.0,0.6268333219107669,0.772822287711603,0.47532725652799673,0.5321259680625042,0.6017772085532177
EOS-4-03684,Fc1ccc(COc2cncc3nnc(-c4cncnc4F)n23)nc1-c1cncnc1,CWXISPLSVDRJLU-UHFFFAOYSA-N,4,1,0.477,7,435,419.355,2.29,5,0.396,0.67,0.999,0.5614676855595915,0.5558563498046741,0.43273250633952437,0.42076451237063944,0.4927052635186074
EOS-4-03685,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1F)N1CCCC1,AJOXUGQLPSZCMI-UHFFFAOYSA-N,4,1,0.409,0,345,452.44,4.09,5,0.456,0.78,0.993,0.18227845932424097,0.3004763210198067,0.1447981632513193,0.3635802892193818,0.24778330820368719
EOS-4-03686,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccccc5F)n34)ncn2)cn1,UYVOJZMGBCBHOI-UHFFFAOYSA-N,4,1,0.506,4,354,418.367,2.896,5,0.429,0.55,1.0,0.6211791515317662,0.719416078404496,0.5375573983962717,0.5421749708724556,0.6050818998012473
EOS-4-03687,N#Cc1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1F,LSSSXPDFPGTXCC-UHFFFAOYSA-N,4,1,0.565,90,281,413.775,3.006,4,0.495,0.7,1.0,0.9529675827564937,0.9682595435542458,0.8123843465149749,0.8519892399424303,0.8964001781920361
EOS-4-03688,N#Cc1ncccc1-c1ccc(-c2nnc3cncc(-c4ccc(Cl)nc4)n23)cn1,KXTZBRIDJZVBAM-UHFFFAOYSA-N,4,1,0.345,82,478,410.828,3.835,5,0.416,0.77,1.0,0.3070385854293743,0.5326656843259544,0.7046981015694607,0.7438917826057159,0.5720735384826263
EOS-4-03689,Fc1cc(-c2ncnnc2-c2nnc3cncc(Cc4cnc(Cl)nc4)n23)cc(Cl)n1,YTFMSONWWUJAQZ-UHFFFAOYSA-N,4,1,0.277,85,976,455.244,2.865,5,0.298,0.54,0.341,0.3046141457062573,0.22888253032691386,0.3148002193132753,0.47686073607018026,0.33128940785415667
EOS-4-03690,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4ccccn4)n23)cc1F,MWRFNINERRAHHU-UHFFFAOYSA-N,4,1,0.562,11,275,431.406,3.543,5,0.406,0.77,1.0,0.7734648070728531,0.7333715989308478,0.6476509492152697,0.6635682955246385,0.7045139126859024
EOS-4-03691,Fc1cc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,ZUXOMWBXKYXLKK-UHFFFAOYSA-N,4,1,0.5,73,82,469.267,4.063,5,0.38,0.65,1.0,0.844724487697896,0.892459392776369,0.6323589884175177,0.7148070728531286,0.7710874854362277
EOS-4-03692,CC(F)(F)c1ccc(Cc2cncc3nnc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cn1,WLMOUYBOPCILCU-UHFFFAOYSA-N,4,1,0.435,0,345,466.467,4.264,5,0.439,0.89,0.999,0.26688540881365225,0.2955589061750394,0.22755465698033034,0.3635888561441985,0.2883969570283051
EOS-4-03693,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1C(F)(F)F,XKCCWSDBFZKCKY-UHFFFAOYSA-N,4,1,0.341,0,862,480.45,3.729,5,0.453,0.87,1.0,0.39246795970118564,0.41159790281680486,0.8080152148584744,0.689603180042492,0.5754210643547393
EOS-4-03694,Clc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,NSBHCOKZIFNDLJ-UHFFFAOYSA-N,4,1,0.548,24,56,429.871,3.918,5,0.404,0.77,1.0,0.8694657665684326,0.9016003015557535,0.5375659653210884,0.5679614145706258,0.719148362003975
EOS-4-03695,Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1Cl,KTRCPOAMJREZKN-UHFFFAOYSA-N,4,1,0.577,97,326,451.914,5.595,5,0.348,0.69,1.0,0.917526214789939,0.9105784387636214,0.9163611130148722,0.9097731478308546,0.9135597285998218
EOS-4-03696,COc1cc(-c2nnc3cncc(COc4cccnc4F)n23)ccc1-c1ccccn1,QUKNKXGFFIJQNH-UHFFFAOYSA-N,4,1,0.386,14,257,428.427,3.975,5,0.378,0.79,1.0,0.6559608662874374,0.5652371324789254,0.6917534781714756,0.5614933863340416,0.61861121581797
EOS-4-03697,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cccc(F)n5)n34)ccn2)ccn1,CKZQYPHSXGPJKM-UHFFFAOYSA-N,4,1,0.529,24,183,417.379,3.501,5,0.404,0.76,1.0,0.5783616612980604,0.5558649167294908,0.7358046055787815,0.7063857857583442,0.6441042423411691
EOS-4-03698,Cn1ccnc1-c1cncc(-c2nnc3cncc(Oc4cc(F)cc(F)c4F)n23)c1,GAFLMOBJVGSBIN-UHFFFAOYSA-N,4,1,0.437,2,995,423.358,3.796,5,0.409,0.63,1.0,0.6014066890548968,0.6185919402371325,0.8579860873140978,0.8330306353231444,0.7277538379823179
EOS-4-03699,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)nc3F)n12,AKIHMCKJTCDOBT-UHFFFAOYSA-N,4,1,0.506,35,143,432.394,2.938,5,0.377,0.68,1.0,0.8045970118566239,0.8218165307381262,0.6059985607566308,0.5838873278048112,0.704074857789048
EOS-4-03700,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cccnc1,HBFCQVUPFDSFCV-UHFFFAOYSA-N,4,1,0.536,4,799,433.834,4.015,5,0.413,0.76,1.0,0.7734733739976698,0.8592625591117813,0.745767939140566,0.7884654924268385,0.7917423411692139
EOS-4-03701,CCOCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,NOJAXKAMEMWRDM-UHFFFAOYSA-N,4,1,0.552,90,636,444.322,4.651,4,0.394,0.72,1.0,0.7934086080460558,0.8869936947433349,0.7643495990679186,0.7814577479268042,0.8065524124460284
EOS-4-03702,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c(Cl)n1,UFDOOLMVUFXXTJ-UHFFFAOYSA-N,4,1,0.716,23,948,401.804,4.048,4,0.472,0.71,1.0,0.9719604550750462,0.9661435131245288,0.887482009457885,0.8910372832568021,0.9291558152285655
EOS-4-03703,Fc1ncc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccc2F)o1,GKVUPSSTUZTGRL-UHFFFAOYSA-N,4,1,0.536,35,795,421.367,3.136,5,0.412,0.66,1.0,0.9255876910424234,0.8816393667329175,0.5030326913851004,0.48296038653964773,0.6983050339250223
EOS-4-03704,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnco5)c4)n23)c1F,SECAWLRUTSANNQ-UHFFFAOYSA-N,4,1,0.537,59,183,406.352,3.699,5,0.439,0.69,1.0,0.8717874031937496,0.637096497841135,0.8468919196765129,0.8151000616818587,0.792718970598314
EOS-4-03705,Fc1cncc(-c2ncc(-c3nnc4cncc(-c5cc(-c6cc(F)ccn6)ccn5)n34)cn2)c1,BCJPBAFWJUFIPH-UHFFFAOYSA-N,4,1,0.286,94,989,465.427,4.046,6,0.384,0.65,1.0,0.30704715235419094,0.36391439928723185,0.6386471112329518,0.6810362552258241,0.49766122952504965
EOS-4-03706,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,KPFOWXIGFGJPGJ-UHFFFAOYSA-N,4,1,0.483,72,208,434.822,3.41,5,0.414,0.64,1.0,0.7443372626961826,0.8679237201014324,0.65047803440477,0.6896117469673086,0.7380876910424234
EOS-4-03708,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(N)=O)c(F)c4)n23)c(F)c1F,GSMXSXFVRLUUAE-UHFFFAOYSA-N,4,1,0.368,0,129,426.358,2.334,4,0.52,0.86,0.999,0.4031851826468371,0.4295798780069906,0.7619936947433349,0.6781577684874237,0.5682291309711466
EOS-4-03709,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,VMFYFOZBRDBECL-UHFFFAOYSA-N,4,1,0.583,11,0,452.902,4.724,5,0.347,0.71,1.0,0.9009063806456035,0.9220581180179562,0.7595606880954012,0.7814663148516209,0.8409978754026454
EOS-4-03710,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cc2F)n1,WXAWRLKLPMVWSD-UHFFFAOYSA-N,4,1,0.551,35,325,445.433,3.851,5,0.367,0.78,1.0,0.9603522719484614,0.9276351860736071,0.635314577479268,0.5838958947296279,0.7767994825577411
EOS-4-03711,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4cc(F)cc(F)c4F)n23)cc1F,JSXDENITPVATND-UHFFFAOYSA-N,4,1,0.352,45,291,467.43,4.038,5,0.302,0.74,1.0,0.4140994448632719,0.4782828455897471,0.920002056061956,0.9097817147556713,0.6805415153176615
EOS-4-03712,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,DMDILFGQPNVZED-UHFFFAOYSA-N,4,1,0.494,73,242,434.822,3.41,5,0.414,0.7,1.0,0.7352905900897814,0.7938455212117058,0.4753358234528134,0.5083613186210678,0.6282083133438421
EOS-4-03713,Fc1cc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1-n1cncn1,ZXEMQKNFPGYIMR-UHFFFAOYSA-N,4,1,0.352,85,476,437.389,3.456,5,0.434,0.74,0.999,0.22665512987458022,0.279838599136454,0.7783565211431704,0.6841374820094579,0.4922469330409156
EOS-4-03714,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4Cl)n23)cc1F,KWJYTJZKCMRNHR-UHFFFAOYSA-N,4,1,0.679,84,28,470.892,4.863,5,0.33,0.63,1.0,0.9318501130834076,0.9505174422589268,0.7714515797409361,0.8040829963676239,0.8644755328627236
EOS-4-03715,CCOC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)cc1F,KEXPVCDMCQDQHO-UHFFFAOYSA-N,4,1,0.343,0,129,455.396,3.412,4,0.463,0.82,1.0,0.47506168185868003,0.46940751147967924,0.7620022616681515,0.6317678706051676,0.5845598314029196
EOS-4-03716,Fc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1,IYVHVFSRAPUROT-UHFFFAOYSA-N,4,1,0.557,72,386,447.861,4.057,5,0.362,0.7,1.0,0.840235419093962,0.8764563772188335,0.7506853539853334,0.7767116715783702,0.8110222054691247
EOS-4-03717,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cc1,HQXTXAIUFZSHSW-UHFFFAOYSA-N,4,1,0.522,4,817,424.399,3.233,5,0.422,0.71,1.0,0.862980604482215,0.867932287026249,0.7280172709204304,0.6981444040847098,0.789268641628401
EOS-4-03718,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cn2)nc1,VMUAIXRWLRPMNK-UHFFFAOYSA-N,4,1,0.456,55,930,432.394,3.204,5,0.39,0.69,0.996,0.8582602289082311,0.7770200808717703,0.5174422589267357,0.45850181618806113,0.6528060962236996
EOS-4-03719,O=C(NC1CC1F)c1ccc(Cc2cncc3nnc(-c4ccc(Cl)c(CF)c4)n23)cc1,BJLBCCRKZQTYDT-UHFFFAOYSA-N,4,1,0.412,0,646,453.88,4.345,5,0.471,0.55,0.998,0.38584572681790147,0.4964875608251662,0.9248166678089234,0.9097902816804879,0.6792350592831198
EOS-4-03720,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)nc1,FKQSRMCJUFDIDA-UHFFFAOYSA-N,4,1,0.551,65,263,448.849,3.452,5,0.389,0.64,1.0,0.9119919813583716,0.9306507436090741,0.46504694674799535,0.5083698855458845,0.7040148893153313
EOS-4-03722,N#Cc1cc(-c2cocn2)cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)c1,ZDQTYOWCNJQXIY-UHFFFAOYSA-N,4,1,0.511,4,666,431.362,3.57,5,0.415,0.64,1.0,0.7381005414296484,0.5851809334521281,0.8486310054142965,0.8268967171544103,0.7497022993626208
EOS-4-03723,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)cc1F,BPFXIJWDPQFWHF-UHFFFAOYSA-N,4,1,0.516,87,307,431.406,3.543,5,0.406,0.75,1.0,0.7295336166129806,0.8294153930505106,0.7047066684942773,0.6810448221506408,0.7361751250771023
EOS-4-03724,N#Cc1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1-c1ncon1,FUKLCMOTLNMHPE-UHFFFAOYSA-N,4,1,0.494,13,145,417.335,3.783,5,0.434,0.76,1.0,0.8329106983757111,0.6908282502912755,0.8723271194571997,0.8652337057089987,0.8153249434582962
EOS-4-03725,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccncc5)nc4)n23)c(F)c1,NIGWMNAJLAWXJT-UHFFFAOYSA-N,4,1,0.361,96,139,475.434,4.049,5,0.398,0.77,1.0,0.33490679185799466,0.42958844493180726,0.8437992598176959,0.7861010211774382,0.598598879446234
EOS-4-03726,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c1,LFRLOCIZHWZEMQ-UHFFFAOYSA-N,4,1,0.531,24,109,422.42,4.167,5,0.423,0.74,1.0,0.7905215543828388,0.7813121102049209,0.8039373586457406,0.7975892673565896,0.7933400726475225
EOS-4-03727,Cc1ccc(-c2cnnc(-c3nnc4cncc(Oc5ccc(F)c(Cl)c5)n34)c2)nn1,KJWRGKQXEJUXKN-UHFFFAOYSA-N,4,1,0.5,54,785,434.822,3.932,5,0.419,0.68,1.0,0.6716040710026728,0.6808563498046741,0.6238777328490165,0.6691881982043726,0.661381587965184
EOS-4-03728,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)c1,ZVWBAJPCZXHNHC-UHFFFAOYSA-N,4,1,0.442,54,411,418.367,2.896,5,0.429,0.74,0.999,0.7108577205126447,0.6088256459461312,0.6028373654992804,0.6257967240079501,0.6370793639915016
EOS-4-03730,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)ccc1F,WEBVKMKRIRVNDJ-UHFFFAOYSA-N,4,1,0.483,4,702,424.399,3.233,5,0.422,0.74,1.0,0.6986841203481599,0.7899390034953053,0.6531851826468371,0.5959923925707628,0.6844501747652664
EOS-4-03733,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1ccsn1,ULMFVWXVBOUXSQ-UHFFFAOYSA-N,4,1,0.511,1,383,451.458,4.781,5,0.37,0.65,1.0,0.9295284764580906,0.8022839421561236,0.8907631416626688,0.833039202247961,0.863903690631211
EOS-4-03734,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4Cl)n23)cc1F,AAZCDJQZJLXIDJ-UHFFFAOYSA-N,4,1,0.322,96,648,475.871,4.193,5,0.406,0.81,1.0,0.5537231855253238,0.565245699403742,0.6996436159276266,0.637661914879035,0.6140686039339318
EOS-4-03735,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1-c1cocn1,XCTGSRAQPFXCTA-UHFFFAOYSA-N,4,1,0.686,91,777,465.872,4.869,5,0.339,0.76,1.0,0.9719690219998629,0.8972054691248029,0.8827959015831677,0.8309831402919607,0.8957383832499486
EOS-4-03736,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1-c1cocn1,WFRJHDNLXKJMPR-UHFFFAOYSA-N,4,1,0.58,91,777,449.417,4.355,5,0.365,0.63,1.0,0.9658693715303954,0.8255688438078267,0.8723356863820163,0.7931516003015557,0.8642313755054485
EOS-4-03737,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)c(Cl)c3)n12,KADBYUMGJVLBPP-UHFFFAOYSA-N,4,1,0.558,35,265,487.347,5.377,5,0.32,0.64,1.0,0.9161812075937221,0.9166438215338222,0.8736721266534165,0.9086251799054211,0.9037805839215954
EOS-4-03738,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c(F)c2)nc1,VATJKAGNTNJFDY-UHFFFAOYSA-N,4,1,0.56,73,71,431.406,3.809,5,0.418,0.72,1.0,0.7589610033582346,0.8063275306695908,0.6808734836543074,0.6464258789664862,0.7231469741621547
EOS-4-03739,Fc1cccc(F)c1COc1cncc2nnc(-c3cc(-c4cccnn4)ncn3)n12,XEBHWIZNOOGINI-UHFFFAOYSA-N,4,1,0.391,44,488,418.367,2.896,5,0.429,0.65,0.467,0.6808049482557741,0.5281166472483038,0.6060071276814475,0.6258052909327668,0.6101835035295731
EOS-4-03740,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1cncs1,RVZBEDGINHFRFM-UHFFFAOYSA-N,4,1,0.518,97,103,467.913,5.295,5,0.337,0.79,1.0,0.9161897745185388,0.8843807826742512,0.8897094099102186,0.8620725104516482,0.8880881193886643
EOS-4-03741,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,TWAJZMXXMJILHF-UHFFFAOYSA-N,4,1,0.816,48,378,457.868,3.905,4,0.434,0.88,1.0,0.6957884997601261,0.5190528407922692,0.7620108285929683,0.7201014323898294,0.6742384003837982
EOS-4-03742,Cc1ccnc(COc2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)c1F,KIEGJMDPHWZLFD-UHFFFAOYSA-N,4,1,0.489,68,127,402.336,3.209,4,0.489,0.72,1.0,0.7589695702830512,0.8531372078678637,0.8469004866013295,0.7517219518881503,0.8026823041600988
EOS-4-03743,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)c1,XESHEKVDZAWGSV-UHFFFAOYSA-N,4,1,0.524,90,255,394.263,2.856,4,0.301,0.65,1.0,0.8174559660064423,0.8560756630799808,0.9281749023370571,0.9290144609690906,0.8826802480981427
EOS-4-03744,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1-c1ncon1,JOADGYMINJKZAN-UHFFFAOYSA-N,4,1,0.542,59,718,454.368,3.846,5,0.357,0.61,1.0,0.9189397573846891,0.7856469741621548,0.8969912960043863,0.8330477691727778,0.858656449181002
EOS-4-03745,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)c(Cl)c3)n12,ZTUCNCSCDNHJEO-UHFFFAOYSA-N,4,1,0.571,35,595,452.902,4.724,5,0.371,0.58,1.0,0.8908659447604688,0.9085138098828045,0.7852100609965047,0.8171047220889589,0.8504236344321843
EOS-4-03746,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)ccc1F,QNOHPVCANUTAAD-UHFFFAOYSA-N,4,1,0.511,4,702,447.43,4.039,5,0.401,0.68,1.0,0.7443458296209993,0.8218250976629429,0.7978377081762731,0.7696610924542526,0.7834174319786169
EOS-4-03747,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(Cl)ccc5F)cn4)n23)cc1F,SCLQCAIJCZEWKM-UHFFFAOYSA-N,4,1,0.343,96,140,463.835,3.946,5,0.404,0.8,0.987,0.29139538071413884,0.3783582345281338,0.7932201357000891,0.8151086286066753,0.5695205948872593
EOS-4-03748,OCc1ccc(-c2nnc3cncc(CNc4cccc(-c5ccncc5F)c4)n23)cn1,DOWLVNMSPHZKIC-UHFFFAOYSA-N,4,1,0.364,14,81,427.443,3.492,5,0.428,0.76,0.998,0.3222020423548763,0.1991981358371599,0.6917620450962922,0.6346292234939346,0.46194786169556573
EOS-4-03749,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)cc1,SFDZDMLMKJRBGX-UHFFFAOYSA-N,4,1,0.655,48,378,441.413,3.58,4,0.444,0.76,1.0,0.8424970872455624,0.5326742512507711,0.8390446165444452,0.7363357549174149,0.7376379274895484
EOS-4-03750,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cccnn1,JBGPDMBOVKAYAJ-UHFFFAOYSA-N,4,1,0.533,35,161,438.426,3.276,5,0.397,0.65,1.0,0.9537386059899938,0.9396460146665753,0.7305873483654307,0.6981529710095264,0.8305312350078815
EOS-4-03752,Cc1nccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)n1,UJUCYSAWNVYJPH-UHFFFAOYSA-N,4,1,0.568,35,626,445.433,3.851,5,0.367,0.71,1.0,0.9597525872112946,0.9183572064971558,0.7203413062846961,0.657545747378521,0.8139992118429169
EOS-4-03753,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1ncc(F)cn1,VFCIRRHSLDDCKR-UHFFFAOYSA-N,4,1,0.532,35,467,461.432,3.552,5,0.363,0.63,1.0,0.9419676512918923,0.8139777945308752,0.6323675553423344,0.535304297169488,0.7309043245836475
EOS-4-03754,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cn2)nc1,URBOQUNGSLVZFN-UHFFFAOYSA-N,4,1,0.551,65,263,432.394,2.938,5,0.403,0.66,1.0,0.897822287711603,0.8843893495990679,0.465055513672812,0.4645757658830786,0.6779607292166404
EOS-4-03756,Fc1cc(-c2nnc3cncc(-c4ncc(Br)cn4)n23)ccc1-c1ccnnc1,IQFBUPLPNVQKDW-UHFFFAOYSA-N,4,1,0.36,73,261,449.247,3.607,5,0.415,0.72,1.0,0.3373654992803783,0.42513364402714005,0.5804519909533274,0.6492358303063532,0.49804674114179975
EOS-4-03757,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,PNBJNCNMGFMFIY-UHFFFAOYSA-N,4,1,0.553,35,0,452.902,4.724,5,0.371,0.72,1.0,0.9133883901034885,0.922066684942773,0.7571790829963676,0.7931601672263724,0.8464485813172504
EOS-4-03758,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cnccc5F)n34)cnc2F)cn1,NWJSLHZIYLFIIN-UHFFFAOYSA-N,4,1,0.421,2,552,432.394,3.204,5,0.39,0.68,1.0,0.7650263861284353,0.6663953807141388,0.6418854088136523,0.5808717702693441,0.6635447364813926
EOS-4-03759,Fc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ncc(Cl)cn1,PHRRHTBCSPLPQK-UHFFFAOYSA-N,4,1,0.536,20,325,448.849,3.452,5,0.389,0.69,1.0,0.922966212048523,0.9368189294770749,0.46158590912206154,0.505182989514084,0.7066385100404359
EOS-4-03761,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,FXKJTGLYUXFZJE-UHFFFAOYSA-N,4,1,0.56,35,0,452.902,4.724,5,0.371,0.72,1.0,0.8717959701185662,0.9145963265026387,0.7807038585429374,0.8082465218285244,0.8438356692481667
EOS-4-03762,N#Cc1nc(Cl)ccc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,JFESGIRHGYIPLC-UHFFFAOYSA-N,4,1,0.671,90,17,397.225,3.944,4,0.485,0.79,1.0,0.9816068124186142,0.9754814611746967,0.8682578301692825,0.9063977794530875,0.9329359708039202
EOS-4-03763,Fc1ccc(CCOc2cncc3nnc(-c4cc(F)cnc4-c4cccnc4)n23)nc1,UDFKDUNPUZAMSR-UHFFFAOYSA-N,4,1,0.539,87,141,431.406,3.543,5,0.406,0.71,0.861,0.8303234870810774,0.7856555410869714,0.5804605578781441,0.6018179014460969,0.6995643718730724
EOS-4-03764,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)n1,WLRVTCHADDVIHS-UHFFFAOYSA-N,4,1,0.568,35,626,445.433,3.851,5,0.367,0.76,1.0,0.962990884791995,0.9306593105338907,0.6780378315399904,0.6203652936741827,0.7980133301350147
EOS-4-03765,Cc1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(F)c(F)c4)n23)c(F)n1,OMIYBBPJUDTISC-UHFFFAOYSA-N,4,1,0.321,22,844,420.358,3.431,5,0.413,0.74,0.887,0.4051812761291207,0.48702967582756496,0.7021965595229936,0.7568706737029676,0.5878195462956617
EOS-4-03766,Cc1ccnc(Oc2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)nc5)n34)cn2)n1,ZPBWKTXQUIAQEH-UHFFFAOYSA-N,4,1,0.308,32,20,476.475,4.945,6,0.344,0.75,1.0,0.4417192104722089,0.5056627373038174,0.6060156946062641,0.5384997601261051,0.5229743506270988
EOS-4-03767,CC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cn1,VQACGBLXTYLQCN-UHFFFAOYSA-N,4,1,0.368,0,21,452.44,4.34,5,0.461,0.91,0.983,0.22935371119183057,0.3157597148927421,0.25286135288876704,0.41736344321842234,0.30383455554794053
EOS-4-03768,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5nccnn5)n34)ccn2)cc1Cl,REALQTDJIIKFSU-UHFFFAOYSA-N,4,1,0.488,73,756,434.822,3.41,5,0.414,0.64,1.0,0.7877458707422383,0.7686244945514358,0.5998389418134467,0.6663097114659722,0.7056297546432733
EOS-4-03769,Oc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cocn1,VOLXVBDLDJHIPS-UHFFFAOYSA-N,4,1,0.517,11,201,418.388,3.308,5,0.418,0.55,1.0,0.9009149475704201,0.7558597765746008,0.5868000822424783,0.5153690631211021,0.6897359673771504
EOS-4-03770,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3cc(-c4nccs4)ncn3)n12,DIMJAOUYNHJESF-UHFFFAOYSA-N,4,1,0.36,44,971,443.826,4.429,5,0.406,0.64,1.0,0.6294548009046672,0.6664039476389555,0.6888235898841751,0.7387858954149819,0.6808670584606948
EOS-4-03771,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,GKZWGMHFPUFLJS-UHFFFAOYSA-N,4,1,0.58,35,161,452.902,4.724,5,0.371,0.64,1.0,0.817464532931259,0.8734665204578165,0.8141748338016586,0.8448958261942293,0.8375004283462407
EOS-4-03772,Fc1ccc(CCc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)cc1F,IOWRGGQKUNKDAR-UHFFFAOYSA-N,4,1,0.529,14,886,420.448,4.373,5,0.422,0.73,1.0,0.4972842848331163,0.7194246453293126,0.762019395517785,0.7884740593516552,0.6918005962579673
EOS-4-03773,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnn(C(F)F)c4)n23)c(F)c1,GOQLIIIXKBRCJE-UHFFFAOYSA-N,4,1,0.528,26,460,454.416,3.544,5,0.374,0.62,1.0,0.5672931944349257,0.651874443149887,0.7807124254677541,0.6869388664245083,0.6717047323692688
EOS-4-03774,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,LYLUIWRLUIRKHT-UHFFFAOYSA-N,4,1,0.688,47,164,435.85,3.99,5,0.433,0.69,1.0,0.952265094921527,0.9514769378383935,0.7620279624426016,0.7954304023027894,0.8653000993763279
EOS-4-03775,Fc1cc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1-c1ccnnc1,JMHVREKWLAWERX-UHFFFAOYSA-N,4,1,0.6,72,202,414.404,2.799,5,0.418,0.68,1.0,0.9104328010417381,0.9396545815913919,0.5868086491672949,0.5679699814954424,0.7512165033239668
EOS-4-03776,Fc1cnc(F)c(F)c1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,ZVVBCXWSRUUWNH-UHFFFAOYSA-N,4,1,0.429,2,422,441.398,3.701,5,0.384,0.67,0.997,0.6867760948529916,0.6566119525735042,0.7409447604687821,0.7121598930847783,0.6991231752450141
EOS-4-03777,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)cc4F)n23)cc1F,MTURZLVSCMWLDT-UHFFFAOYSA-N,4,1,0.4,23,678,426.402,3.57,4,0.493,0.89,1.0,0.3789493523404839,0.4474590500993763,0.759569255020218,0.695428688917826,0.570351586594476
EOS-4-03778,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cn4)n23)nc1-c1cncnc1,YLOPXZVNYIVLLG-UHFFFAOYSA-N,4,1,0.424,46,128,434.822,3.41,5,0.414,0.67,1.0,0.6499468850661366,0.7686330614762524,0.5511188403810569,0.5988366116098965,0.6421338496333356
EOS-4-03779,Cc1nccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)c(Cl)c2)n1,ROZSFQKOGPZGBN-UHFFFAOYSA-N,4,1,0.557,35,0,461.888,4.366,5,0.347,0.77,1.0,0.914844767322322,0.9396631485162086,0.6698050167911727,0.6575543143033377,0.7954668117332603
EOS-4-03780,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1ccnnc1,OPLFJUXROZRIIE-UHFFFAOYSA-N,4,1,0.556,34,32,433.834,4.015,5,0.413,0.73,1.0,0.7962014255362895,0.9483071756562265,0.7506939209101501,0.793168734151189,0.8220928140634638
EOS-4-03781,COc1nc(-c2cc(C)ccn2)ccc1-c1nnc2cncc(OCc3cccc(F)c3F)n12,DEBQBNNRXWWTPT-UHFFFAOYSA-N,4,1,0.473,59,910,460.444,4.423,5,0.371,0.74,0.997,0.8402439860187787,0.7194332122541293,0.7620365293674183,0.6605784387636214,0.745573041600987
EOS-4-03782,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cc(F)cnn5)cc4F)n23)cc1F,UQCNYOQEOHFERV-UHFFFAOYSA-N,4,1,0.337,96,648,477.406,3.818,5,0.41,0.75,1.0,0.6655386882324721,0.6371050647659516,0.8268710163799603,0.7719912960043863,0.7253765163456926
EOS-4-03783,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cc(-c4cscn4)ccn3)n12,HSXBBBICDLDWEC-UHFFFAOYSA-N,4,1,0.437,44,692,438.875,4.681,5,0.396,0.79,1.0,0.6211877184565828,0.5799037077650606,0.7829740936193544,0.8210712082790761,0.7012841820300185
EOS-4-03784,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)cc1F,WGCDKENEHCPOMO-UHFFFAOYSA-N,4,1,0.406,66,364,427.39,2.783,4,0.526,0.72,1.0,0.30194126516345693,0.38776471797683504,0.644806730176136,0.4142793502844219,0.43719801590021246
EOS-4-03785,Cc1ccnc(OCc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)c(C#N)c4)n23)c1,QFJJOJRTWKQPRM-UHFFFAOYSA-N,4,1,0.358,14,351,437.438,4.147,5,0.381,0.67,1.0,0.6684685765197724,0.6808649167294908,0.8422058118017957,0.7793074497978206,0.7427116887122198
EOS-4-03786,Fc1cccc(F)c1COc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,RJMRWTXVQRRTEN-UHFFFAOYSA-N,4,1,0.512,24,332,422.42,4.167,5,0.423,0.73,1.0,0.8020269344116236,0.7686416284010692,0.7829826605441711,0.7767202385031869,0.7825928654650127
EOS-4-03787,Fc1ccc(-c2cnnc(-c3nnc4cncc(OCCc5ccccc5F)n34)c2)cn1,YOEPSNJYXQJBIP-UHFFFAOYSA-N,4,1,0.581,19,207,431.406,3.543,5,0.38,0.69,1.0,0.692593036803509,0.6664125145637722,0.7358131725035981,0.7517305188129669,0.7116373106709616
EOS-4-03788,Cc1ncc(-c2nc(-c3ccnc(CF)c3)ccc2-c2nnc3cncc(F)n23)cn1,AWAWNGWQOJNSEV-UHFFFAOYSA-N,4,1,0.45,82,478,416.395,3.622,5,0.442,0.69,0.995,0.4010777191419368,0.4342659858817079,0.47207182509766293,0.43938043999725857,0.43669899252964156
EOS-4-03789,COc1cc(-c2cscn2)ccc1-c1nnc2cncc(Oc3cc(Cl)ccc3Cl)n12,XCFBQXGRDHGISP-UHFFFAOYSA-N,4,1,0.472,13,209,470.341,6.023,5,0.313,0.72,1.0,0.6926016037283257,0.6858508669727914,0.8839010348845179,0.8828815708313343,0.7863087691042423
EOS-4-03790,Fc1cc(CCOc2cncc3nnc(-c4c(F)cc(-c5c[nH]nn5)cc4Cl)n23)ccn1,BAWHAQXHODLQSU-UHFFFAOYSA-N,4,1,0.517,37,626,454.828,3.525,5,0.391,0.53,1.0,0.830332054005894,0.8063360975944075,0.7807209923925708,0.8062075937221574,0.8058991844287574
EOS-4-03791,Fc1cncc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cscn4)c(Cl)c3)n12,BBYSVBDUUXRHCY-UHFFFAOYSA-N,4,1,0.593,35,559,487.347,5.377,5,0.32,0.67,1.0,0.9161983414433555,0.9183657734219725,0.8535484202590639,0.8992358303063532,0.8968370913576862
EOS-4-03793,Fc1cc(CCc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)ccn1,QGDFDWVEJZWFOV-UHFFFAOYSA-N,4,1,0.388,14,595,420.448,4.373,5,0.395,0.77,1.0,0.40518984305393735,0.5851895003769447,0.6888321568089918,0.7253786580768967,0.6011475395791926
EOS-4-03794,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5sccc5F)n34)c2)nc1,UVCQIZKWEFYLAO-UHFFFAOYSA-N,4,1,0.466,2,422,422.42,4.167,5,0.423,0.71,1.0,0.7443543965458159,0.7240507847303133,0.7482780481118497,0.7542663285587006,0.7427373894866699
EOS-4-03796,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1F,XJLUYUHMCQXVNA-UHFFFAOYSA-N,4,1,0.531,59,332,452.852,4.702,5,0.386,0.71,1.0,0.9295370433829073,0.894883832499486,0.9133284216297718,0.9186313480912891,0.9140951614008636
EOS-4-03797,Fc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4ccccn4)c3)n12,MZCXPYVVRSWESC-UHFFFAOYSA-N,4,1,0.523,2,904,413.416,3.404,5,0.421,0.68,1.0,0.7934171749708725,0.7149441436501953,0.5899955451990954,0.5711654444520595,0.6673805770680556
EOS-4-03798,CNc1c(-c2ccncc2)ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1F,RGZWUXSQMQAJDW-UHFFFAOYSA-N,4,1,0.534,35,161,459.46,4.19,5,0.39,0.7,1.0,0.6684771434445891,0.5281252141731204,0.7913097114659722,0.712168460009595,0.6750201322733191
EOS-4-03799,COCc1cccc(-c2cncc3nnc(-c4cccnc4-c4cccc(F)c4F)n23)n1,NWDROYDRHURPIW-UHFFFAOYSA-N,4,1,0.327,96,140,430.418,4.34,5,0.413,0.65,0.723,0.4210986224384895,0.4694160784044959,0.7783650880679871,0.7743729011034199,0.6108131725035981
EOS-4-03800,O=C(NCCF)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)cc1,MOWIUYRSAMVFQA-UHFFFAOYSA-N,4,1,0.434,48,678,442.857,3.895,4,0.453,0.86,1.0,0.4234031252141731,0.49649612774998286,0.7022051264478103,0.6605870056884381,0.5706728462751011
EOS-4-03801,Fc1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1-c1cccnn1,ZHXHJQYCPCFIRT-UHFFFAOYSA-N,4,1,0.484,37,482,466.839,3.591,5,0.374,0.7,1.0,0.9203190322801728,0.9483157425810431,0.6294376670550339,0.7035587005688438,0.8004077856212735
EOS-4-03802,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)nc1,WFMWLVOUGYXSCM-UHFFFAOYSA-N,4,1,0.488,73,82,432.394,3.204,5,0.417,0.69,1.0,0.9175347817147557,0.8329449660749777,0.447416215475293,0.4207730792954561,0.6546672606401206
EOS-4-03803,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,XCOJXSRLVXBZFX-UHFFFAOYSA-N,4,1,0.62,35,202,413.416,3.404,5,0.421,0.69,1.0,0.865045233363032,0.9016088684805702,0.6996521828524432,0.6721180864916729,0.7846060927969296
EOS-4-03804,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)ccc1-c1ccsn1,HQVMENGWXSAOHU-UHFFFAOYSA-N,4,1,0.38,14,291,466.929,5.328,5,0.364,0.8,1.0,0.37192447399081624,0.37359502433006647,0.826879583304777,0.7861095881022548,0.5896271674319786
EOS-4-03805,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3F)n12,VEWZNHYBXUUKKQ-UHFFFAOYSA-N,4,1,0.479,73,263,466.839,3.591,5,0.35,0.59,1.0,0.8758738263313001,0.9146048934274553,0.44026283325337534,0.5185473922280858,0.6873222363100542
EOS-4-03806,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccccc5F)n34)c(F)c2)n1,FRUOSZUYBHNGJA-UHFFFAOYSA-N,4,1,0.506,43,521,431.406,3.809,5,0.418,0.77,1.0,0.8872164347885683,0.8679408539510657,0.7148327736275787,0.7121770269344116,0.7955417723254061
EOS-4-03807,N#Cc1c(F)ccc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1F,GNJIEWGIQUOGPS-UHFFFAOYSA-N,4,1,0.512,24,912,447.43,4.039,5,0.401,0.57,1.0,0.8471146597217463,0.7103180042491947,0.869560002741416,0.8289099444863272,0.813975652799671
EOS-4-03808,Fc1cccc(COc2cncc3nnc(-c4cnc(F)c(-c5ncccn5)c4)n23)n1,AXUCXTZPCLQFEX-UHFFFAOYSA-N,4,1,0.494,2,242,418.367,2.896,5,0.402,0.68,1.0,0.6867846617778083,0.6273387704749503,0.482463504900281,0.4616201768213282,0.564551778493592
EOS-4-03809,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OC3Cc4cnccc4O3)n12,XZMLCBNCDSZYFJ-UHFFFAOYSA-N,4,1,0.43,97,0,432.44,3.789,6,0.427,0.56,1.0,0.814911589335892,0.777028647796587,0.7913182783907888,0.7439003495305325,0.7817897162634502
EOS-4-03810,Cn1ccnc1C(F)(F)c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)cc1,VHRJBOMZOQLELR-UHFFFAOYSA-N,4,1,0.522,15,343,482.882,3.73,5,0.326,0.62,1.0,0.9189483243095059,0.8592711260365979,0.8233157425810431,0.6954372558426427,0.8242431121924475
EOS-4-03811,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cncc5F)n34)cc2F)n1,MLUQUZKUTSNRQF-UHFFFAOYSA-N,4,1,0.571,37,559,464.411,3.386,5,0.377,0.64,1.0,0.9175433486395723,0.914613460352272,0.641893975738469,0.6376704818038517,0.7779303166335412
EOS-4-03812,N#CCc1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)c(F)c4)n23)cn1,BGFZMWBWFZLLRI-UHFFFAOYSA-N,4,1,0.302,22,844,427.378,3.05,5,0.429,0.69,0.988,0.337374066205195,0.36891748338016583,0.6590535261462546,0.722662942910013,0.522002004660407
EOS-4-03813,Fc1ccc(-c2nnccc2-c2nnc3cncc(-c4ccc(C5CC5)nn4)n23)c(F)c1,AODBUBQMPDALHY-UHFFFAOYSA-N,4,1,0.327,22,844,428.406,3.861,6,0.429,0.65,1.0,0.29687821259680625,0.482309300253581,0.3591083544650812,0.5930453704338291,0.4328353094373244
EOS-4-03814,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)cs1,CSZSAWQHPINHKX-UHFFFAOYSA-N,4,1,0.458,13,724,456.865,5.342,5,0.363,0.73,1.0,0.7203241724350627,0.8218336645877595,0.819503461037626,0.8190579809471592,0.7951798197519018
EOS-4-03815,Cc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccccn1,WMWXTCFREULNGL-UHFFFAOYSA-N,4,1,0.542,11,201,426.455,4.317,5,0.377,0.76,1.0,0.937178740319375,0.8870022616681515,0.7123912000548284,0.6520029470221369,0.7971437872661229
EOS-4-03816,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)ccc1F,GYLNAOGLGWBLDK-UHFFFAOYSA-N,4,1,0.511,4,702,424.399,3.233,5,0.422,0.71,1.0,0.8072784593242409,0.8255774107326435,0.6353231444040847,0.5839044616544445,0.7130208690288534
EOS-4-03817,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4css4)cc3F)n12,NJRDDEYWMQIWJM-UHFFFAOYSA-N,4,1,0.588,37,832,441.488,4.876,5,0.352,0.72,1.0,0.8517836337468302,0.8679494208758823,0.7736532794188198,0.7814748817764375,0.8187153039544924
EOS-4-03818,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,DCHVBMNAKKWPNZ-UHFFFAOYSA-N,4,1,0.549,58,28,413.416,3.404,5,0.394,0.76,1.0,0.867238366116099,0.8294239599753273,0.43654478788294154,0.4237286683572065,0.6392339455828936
EOS-4-03820,CCc1ccc(Oc2cncc3nnc(-c4ccc(-c5ccncc5)nc4OC)n23)c(F)c1,YFHOAGZJOFRIJN-UHFFFAOYSA-N,4,1,0.44,13,710,442.454,4.751,5,0.375,0.75,1.0,0.7139503803714619,0.6469056267562195,0.6698135837159893,0.5217428551847029,0.6381031115070933
EOS-4-03821,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(C(F)(F)F)nn5)s4)n23)cc1F,FYSGVASYYGJENF-UHFFFAOYSA-N,4,1,0.354,22,140,485.426,4.234,5,0.381,0.76,0.913,0.312538551161675,0.38310431087656777,0.9014375299842369,0.8190665478719759,0.6040367349736139
EOS-4-03822,O=C(c1ccc(Cc2cncc3nnc(-c4cc(F)c(Cl)cc4F)n23)cn1)N1CCC(O)C1,WTCVQXGBNPDNSI-UHFFFAOYSA-N,4,1,0.354,78,345,470.867,2.916,5,0.461,0.75,0.427,0.27238537454595296,0.3347611541361113,0.23839181687341512,0.5017647865122336,0.3368257830169282
EOS-4-03823,Fc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1-c1cccnn1,IGPXQRAGUAUYDD-UHFFFAOYSA-N,4,1,0.489,72,482,466.839,3.591,5,0.374,0.71,1.0,0.9133969570283051,0.9483243095058598,0.6264735110684668,0.6954458227674594,0.7959101500925228
EOS-4-03824,Clc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,BMTXJDYAYRREGZ-UHFFFAOYSA-N,4,1,0.61,72,386,429.871,3.918,5,0.404,0.75,1.0,0.8694743334932493,0.9040418751285039,0.5964635734356796,0.6317764375299842,0.7504390548968543
EOS-4-03825,OCc1nc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1cccnc1,FAMWOHMEECOKAD-UHFFFAOYSA-N,4,1,0.38,46,959,463.86,3.507,5,0.381,0.59,1.0,0.6684857103694058,0.6469141936810363,0.69966074977726,0.7009029538756768,0.6789909019258448
EOS-4-03826,N#Cc1cc(Oc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)ccc1F,UYYRLQPJYUPJQM-UHFFFAOYSA-N,4,1,0.523,13,374,433.403,4.252,5,0.417,0.79,1.0,0.6382873003906517,0.7427352477554657,0.8991158933589198,0.8992443972311699,0.7948457096840518
EOS-4-03827,C#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,VNVSJZPLLZBOBY-UHFFFAOYSA-N,4,1,0.578,90,400,410.264,4.096,4,0.464,0.63,1.0,0.9371873072441916,0.9574309505859776,0.8682663970940991,0.9005894044273868,0.9158685148379138
EOS-4-03828,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(Cl)cc5)cc4)n23)cc1F,AGJHSKBCIBCJIN-UHFFFAOYSA-N,4,1,0.432,62,504,486.894,4.602,5,0.376,0.92,1.0,0.1962425467754095,0.3397385374545953,0.808023781783291,0.771999862929203,0.5290011822356246
EOS-4-03829,N#Cc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cocn1,QVVJYBFNZVFVOJ-UHFFFAOYSA-N,4,1,0.528,11,201,427.399,3.474,5,0.378,0.67,0.997,0.9382324720718251,0.8560842300047975,0.7228257144815297,0.6721266534164896,0.7973172674936604
EOS-4-03830,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)nc1,QMQSQXMQRARFFR-UHFFFAOYSA-N,4,1,0.267,50,914,430.359,2.668,5,0.442,0.72,0.941,0.4164467822630389,0.28510725789870467,0.27042354876293606,0.1664639161126722,0.28461037625933794
EOS-4-03831,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ccc(C(F)(F)F)nn3)n12,HXTRCLXUIKZAHW-UHFFFAOYSA-N,4,1,0.488,27,52,474.403,3.837,5,0.28,0.58,1.0,0.6098536769241313,0.7770372147214036,0.7759492152696867,0.6317850044548009,0.6986562778425056
EOS-4-03832,N#Cc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,JQYJBFBBHODMLO-UHFFFAOYSA-N,4,1,0.516,35,161,438.426,3.276,5,0.397,0.67,1.0,0.9351055445137414,0.9126173668699884,0.7203498732095127,0.6927301076005757,0.8152007230484546
EOS-4-03833,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)cn1,ZHAUHJPMQNWWQL-UHFFFAOYSA-N,4,1,0.538,65,263,448.849,3.452,5,0.364,0.7,1.0,0.9134055239531218,0.9461140429031595,0.46874785826879584,0.49205846069494896,0.7050814714550064
EOS-4-03835,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,VJNSBNFHOAHEGC-UHFFFAOYSA-N,4,1,0.528,24,56,413.416,3.404,5,0.394,0.76,1.0,0.8872250017133849,0.8843979165238846,0.47895963265026387,0.4552977863066274,0.6764700842985402
EOS-4-03836,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)c4)n23)c1F,CZWJNRDNKDQWEO-UHFFFAOYSA-N,4,1,0.467,75,525,447.861,4.323,5,0.37,0.64,1.0,0.7988914399287231,0.7938540881365225,0.7783736549928038,0.7466503323966829,0.7794423788636831
EOS-4-03837,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4F)n23)nc1,NYBANTIQCDJHFK-UHFFFAOYSA-N,4,1,0.534,11,143,431.406,3.543,5,0.38,0.73,1.0,0.7962099924611061,0.839798505928312,0.6148910287163319,0.6111901171955315,0.7155224110753204
EOS-4-03838,N#Cc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,MXNBQDZVWWSXJY-UHFFFAOYSA-N,4,1,0.505,11,201,427.399,3.474,5,0.378,0.64,0.995,0.907391542731821,0.8063446645192242,0.7097868549105613,0.6635768624494551,0.7717749811527654
EOS-4-03839,CC(N)(c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c(F)c1)C1CC1,XQDDVFXGXFQRKW-UHFFFAOYSA-N,4,1,0.374,0,999,434.45,3.419,5,0.5,0.65,0.999,0.33011788088547733,0.3106281269275581,0.8020783359605236,0.815117195531492,0.5644853848262628
EOS-4-03840,N#Cc1ccc(-c2nnc3cncc(CNc4c(F)c(F)cc(F)c4F)n23)nc1,LUONYUVRHBTDMY-UHFFFAOYSA-N,4,1,0.371,23,244,399.311,3.226,4,0.419,0.76,1.0,0.1990953327393599,0.2288910972517305,0.9512027962442602,0.9453601535192927,0.5811373449386609
EOS-4-03841,CNC(=O)c1ccc(-c2nnc3cncc(CNC(=O)c4ccc(Cl)c(F)c4)n23)cc1F,WOFPAFNKGBIVGY-UHFFFAOYSA-N,4,1,0.609,23,646,456.84,3.013,4,0.48,0.87,1.0,0.41410801178808854,0.5097577273661846,0.7148413405523953,0.6635854293742718,0.5755731272702351
EOS-4-03842,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)n5cncn5)nc4)n23)cc1F,PIOZBMXGVOPRFR-UHFFFAOYSA-N,4,1,0.324,61,413,465.399,2.541,5,0.424,0.77,1.0,0.3070557192790076,0.3495562332944966,0.8020869028853402,0.6111986841203482,0.5174743848947981
EOS-4-03843,Fc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1cnsc1,VGQSBEYKILBDKF-UHFFFAOYSA-N,4,1,0.62,35,161,452.902,4.724,5,0.371,0.58,1.0,0.8229130971146598,0.8679579878006991,0.8250291275443766,0.85019018573093,0.8415225995476663
EOS-4-03844,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1-c1cscn1,CGIMHXZMLUXRCL-UHFFFAOYSA-N,4,1,0.466,73,379,457.853,4.215,5,0.365,0.7,1.0,0.8629891714070317,0.8679665547255158,0.6861764101158249,0.7387944623397985,0.7889816496470426
EOS-4-03845,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)n5)n34)ccn2)c1,SYHIRFNFJPIABZ-UHFFFAOYSA-N,4,1,0.517,75,496,434.822,3.41,5,0.387,0.7,1.0,0.6183434994174491,0.6858594338976081,0.5804691248029608,0.5930539373586458,0.6194314988691659
EOS-4-03846,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)n1,KRJMOPDKBONXES-UHFFFAOYSA-N,4,1,0.545,35,161,445.433,3.851,5,0.392,0.78,1.0,0.9382410389966418,0.9085223768076212,0.6834007264752244,0.6346377904187512,0.7912004831745596
EOS-4-03847,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(CC(F)(F)F)nn4)n23)cc1C#N,FPTJMLSCOCESTP-UHFFFAOYSA-N,4,1,0.448,27,52,491.437,3.537,5,0.354,0.66,0.983,0.5174508258515523,0.5992992255499966,0.8736806935782332,0.7696696593790693,0.6900251010897129
EOS-4-03848,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ncco5)c4)n23)c1F,LONAXGWLOFADGN-UHFFFAOYSA-N,4,1,0.55,24,912,406.352,3.699,5,0.439,0.68,1.0,0.8229216640394764,0.5799122746898773,0.7932287026249057,0.7568792406277842,0.738235470495511
EOS-4-03849,OCc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)nc1,LXOWHHXMBDKJOR-UHFFFAOYSA-N,4,1,0.54,4,770,429.415,2.854,5,0.439,0.74,1.0,0.7934257418956892,0.7427438146802824,0.6089284490439312,0.5285963950380371,0.668423600164485
EOS-4-03850,O=C(c1ccc(-c2cncc3nnc(-c4ccccc4F)n23)cc1F)N1CCc2ccccc2C1,IRWAKOKVMNGBEJ-UHFFFAOYSA-N,4,1,0.415,79,504,467.479,4.935,6,0.377,0.83,1.0,0.20171681173326023,0.329920841614694,0.557509766294291,0.7335343705023645,0.45567044753615243
EOS-4-03851,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)ccn1,VIBWLXFESJNJNQ-UHFFFAOYSA-N,4,1,0.583,11,0,436.447,4.21,5,0.371,0.69,1.0,0.8891268590226852,0.8816479336577342,0.7714601466657529,0.7542748954835172,0.8241274587074223
EOS-4-03852,N#Cc1cc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,YUHVDSAVHLUFLE-UHFFFAOYSA-N,4,1,0.511,11,201,427.399,3.474,5,0.378,0.58,1.0,0.9243026523199233,0.810088410664108,0.712399766979645,0.6492443972311699,0.7740088067987116
EOS-4-03853,COCc1ncc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1C#N,QODBGHXRTVTLFV-UHFFFAOYSA-N,4,1,0.494,68,305,409.356,2.868,4,0.478,0.77,1.0,0.7015968747858269,0.7007658830786101,0.704715235419094,0.6575628812281543,0.6911602186279214
EOS-4-03854,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(C#N)c4)n23)c(F)c1F,JBTSVZQJLXLGGR-UHFFFAOYSA-N,4,1,0.326,0,129,422.37,3.497,4,0.543,0.74,1.0,0.4119320128846549,0.4965046946747995,0.915487286683572,0.8924422589267357,0.6790915632924405
EOS-4-03855,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(CO)c4)n23)c(F)c1F,YMHOHNKTFICHLN-UHFFFAOYSA-N,4,1,0.321,23,129,413.359,2.728,4,0.537,0.79,1.0,0.44172777739702557,0.49651326159961623,0.923120416695223,0.8871650332396683,0.6871316222328833
EOS-4-03856,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1ccnc(F)c1,WVOKFOXAZIWAAM-UHFFFAOYSA-N,4,1,0.56,35,103,442.454,4.018,5,0.352,0.73,1.0,0.8908745116852854,0.7980775820711398,0.7714687135905696,0.657571448152971,0.7794980638749914
EOS-4-03857,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(C5CC5)nc4C(F)(F)F)n23)cc1F,WMMTYVCLBSFLFR-UHFFFAOYSA-N,4,1,0.33,66,306,445.38,3.507,5,0.486,0.82,1.0,0.19625111370022616,0.29041875128503875,0.6448152971009526,0.5988451785347132,0.4325825851552326
EOS-4-03858,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cn2)c(F)c1,BRZORWZODFOQLY-UHFFFAOYSA-N,4,1,0.467,55,617,452.812,3.549,5,0.399,0.66,1.0,0.7381091083544651,0.8218422315125763,0.6179151531766157,0.6691967651291892,0.7117658145432116
EOS-4-03859,N#Cc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1Cl,CUAFLJMXYWHBKI-UHFFFAOYSA-N,4,1,0.565,90,400,411.252,3.986,4,0.462,0.77,1.0,0.9597611541361113,0.9740422178054965,0.8504557604002467,0.8938472345966691,0.9195265917346309
EOS-4-03860,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(C)(F)F)nc4)n23)cc1F,VAOLMZAWKVDDRT-UHFFFAOYSA-N,4,1,0.343,66,688,426.402,3.854,4,0.524,0.87,1.0,0.3835926255911178,0.43427455280652455,0.8828044685079843,0.7253872250017134,0.606514717976835
EOS-4-03861,Cc1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1ncccn1,VKDRJTSVXMFVMR-UHFFFAOYSA-N,4,1,0.435,46,910,447.861,4.323,5,0.396,0.77,1.0,0.8606504009320814,0.7686501953258859,0.6419025426632856,0.654787197587554,0.7314975841272018
EOS-4-03862,N#Cc1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1cnsc1,VMFPFTFEYXTDKA-UHFFFAOYSA-N,4,1,0.488,97,91,447.43,4.039,5,0.375,0.61,1.0,0.8559385922829141,0.742752381605099,0.8851432389829347,0.8667414844767323,0.83764392433692
EOS-4-03863,Fc1cc(-c2nnc3cncc(OCC4COc5cccc(F)c5C4)n23)ccc1-c1c[nH]nn1,UXNXBJFTQHLKJL-UHFFFAOYSA-N,4,1,0.474,91,70,461.432,3.485,6,0.427,0.54,1.0,0.7589781372078679,0.7856641080117881,0.7507024878349667,0.7838136522513879,0.7697895963265027
EOS-4-03864,Cc1ccc(-c2ncncc2-c2nnc3cncc(OCc4ccc(F)c(C#N)c4)n23)cn1,YUGLPMRURARMOV-UHFFFAOYSA-N,4,1,0.489,97,214,438.426,3.542,5,0.409,0.75,1.0,0.851792200671647,0.738057706805565,0.7552429579878007,0.6896203138921253,0.7586782948392845
EOS-4-03865,Fc1cnc(-c2cccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)c2)nc1,XESVHSQFCPHVMS-UHFFFAOYSA-N,4,1,0.549,4,31,417.379,3.501,5,0.404,0.78,1.0,0.6044051127407306,0.579920841614694,0.6353317113289014,0.6171869645671989,0.6092111575628812
EOS-4-03868,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cc2F)n1,HSCKPHAUIJILRU-UHFFFAOYSA-N,4,1,0.545,35,325,445.433,3.851,5,0.392,0.75,1.0,0.9458056336097594,0.9065348502501542,0.6780463984648071,0.6376790487286683,0.7920164827633474
EOS-4-03869,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)c1F,HPOWOQFIJPMDAZ-UHFFFAOYSA-N,4,1,0.516,87,699,431.406,3.543,5,0.406,0.67,1.0,0.7047495031183606,0.8255859776574601,0.6590620930710712,0.6520115139469536,0.7103522719484614
EOS-4-03870,COc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3)n12,SSFBFHOTRRIBNZ-UHFFFAOYSA-N,4,1,0.538,11,201,442.454,4.018,5,0.376,0.72,1.0,0.8329192653005277,0.6759132341854568,0.6670464670002056,0.5774621341923103,0.6883352751696251
EOS-4-03872,Cc1nc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cc2)ncc1F,BFASPVZKPCGZAG-UHFFFAOYSA-N,4,1,0.356,73,856,418.823,3.806,5,0.439,0.8,1.0,0.37193304091563295,0.5097662942910013,0.41804023027893905,0.4829689534644644,0.4456771297375094
EOS-4-03873,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)c1,YJKAIRBMUFVDOQ-UHFFFAOYSA-N,4,1,0.565,35,429,452.902,4.724,5,0.371,0.62,1.0,0.9203275992049894,0.9146220272770886,0.7667826057158522,0.8018898636145569,0.8509055239531218
EOS-4-03874,Cn1cncc1-c1ccc(-c2nnc3cncc(Cc4ccc(Cl)cc4)n23)c(F)c1,AOFJTWKXWXNWOF-UHFFFAOYSA-N,4,1,0.375,14,358,418.863,4.575,5,0.428,0.77,1.0,0.3836011925159345,0.47363957233911314,0.8874905763827017,0.9097988486053047,0.6636325474607635
EOS-4-03875,N#Cc1cc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)ccc1Cl,LSRCFSYVCJXUHH-UHFFFAOYSA-N,4,1,0.367,50,845,411.816,3.23,5,0.444,0.7,1.0,0.30462271263107393,0.5373774929751216,0.702213693372627,0.7492546775409499,0.573367144129943
EOS-4-03876,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)nc1,YDXOUBVRPRDZEA-UHFFFAOYSA-N,4,1,0.603,24,912,417.379,3.501,5,0.432,0.73,1.0,0.6183520663422658,0.627347337399767,0.7047238023439106,0.6927386745253924,0.660790470152834
EOS-4-03877,Cc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4F)n23)nn1,MNPGHGYERVRANZ-UHFFFAOYSA-N,4,1,0.554,68,255,403.324,2.604,4,0.484,0.71,1.0,0.8174730998560756,0.9183743403467891,0.6476595161400863,0.6080803234870811,0.747896819957508
EOS-4-03878,Clc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)c(Cl)c3)n12,NCFLLUBRAPKHIU-UHFFFAOYSA-N,4,1,0.552,35,161,464.316,4.572,5,0.364,0.75,1.0,0.8945839901309026,0.912625933794805,0.7691042423411693,0.8309917072167775,0.8518264683709137
EOS-4-03879,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(Cl)n2)o1,AJTFDONRXMJSOQ-UHFFFAOYSA-N,4,1,0.541,58,28,472.267,4.304,5,0.337,0.57,1.0,0.8797375094236173,0.8139863614556919,0.6060242615310808,0.6721352203413062,0.7429708381879241
EOS-4-03880,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(C)=O)c(F)c4F)n23)cc1F,JNSWRGVYPAALEJ-UHFFFAOYSA-N,4,1,0.354,0,129,425.37,3.438,4,0.506,0.75,1.0,0.46993866081831265,0.45618017956274415,0.8563755054485642,0.759517853471318,0.6355030498252348
EOS-4-03882,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,IVIMUUIMSFKQCA-UHFFFAOYSA-N,4,1,0.443,73,379,457.853,4.215,5,0.365,0.68,1.0,0.8046055787814406,0.8622095812487149,0.6834092934000411,0.7335429374271811,0.7709418477143444
EOS-4-03883,Fc1ncc(-c2cnc(-c3cncc4nnc(-c5c(F)cncc5-c5ccccn5)n34)cn2)nn1,VSECURAIYNMIBV-UHFFFAOYSA-N,4,1,0.271,86,443,467.403,2.836,6,0.381,0.55,0.995,0.28305976286752105,0.3831128778013844,0.2928431910081557,0.36015351929271466,0.329792337742444
EOS-4-03884,Clc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,ZNQSZMVHTNTXLJ-UHFFFAOYSA-N,4,1,0.549,58,28,429.871,3.918,5,0.378,0.75,1.0,0.842505654170379,0.8592796929614146,0.42891165787129054,0.4679254334863957,0.64965560962237
EOS-4-03885,C#Cc1c(F)ccc(NCc2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)c1F,XZRIUEHMTBWEMQ-UHFFFAOYSA-N,4,1,0.4,23,678,436.397,3.162,4,0.47,0.84,1.0,0.3858542937427181,0.4206959769721061,0.8763021725721335,0.7884826262764718,0.6178337673908574
EOS-4-03886,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1-c1ncncn1,XNUUKAFDGFSWDE-UHFFFAOYSA-N,4,1,0.511,20,279,449.837,2.847,5,0.385,0.67,0.999,0.9440408470975259,0.9354053868823248,0.3818364060037009,0.417372010143239,0.6696636625316976
EOS-4-03887,N#Cc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)n1,VBYBYGROGMYUDF-UHFFFAOYSA-N,4,1,0.467,75,496,425.387,2.628,5,0.417,0.68,1.0,0.6382958673154684,0.6371136316907683,0.4141936810362552,0.38276163388390105,0.5180912034815982
EOS-4-03888,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5Cl)n34)cc2)cs1,LMSVYDSAZKGSAP-UHFFFAOYSA-N,4,1,0.578,91,660,483.931,5.776,5,0.287,0.77,1.0,0.9646700020560619,0.9619200191899115,0.9133369885545884,0.9028425056541703,0.9356923788636831
EOS-4-03889,CCc1nc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)ccc1-c1cncs1,CHZXIGLXBZOICF-UHFFFAOYSA-N,4,1,0.333,85,81,467.48,4.877,5,0.367,0.62,0.876,0.34440751147967924,0.40670618874648756,0.8039459255705572,0.6547957645123706,0.5524638475772736
EOS-4-03890,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)nc1,RFLALXBIOXVYMD-UHFFFAOYSA-N,4,1,0.411,51,196,435.81,2.805,5,0.41,0.67,1.0,0.67467103008704,0.6664210814885888,0.28211740113768763,0.36359742306901516,0.4967017339455829
EOS-4-03891,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)ccc1F,QCOWXQVVKNTNNW-UHFFFAOYSA-N,4,1,0.543,73,980,437.385,3.583,5,0.418,0.68,1.0,0.7295421835377973,0.6273559043245837,0.8788465492426838,0.8551761359742307,0.772730193269824
EOS-4-03892,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccnc(F)c1,ZDFXPWBKMXEOTM-UHFFFAOYSA-N,4,1,0.547,35,103,442.454,4.018,5,0.352,0.7,1.0,0.9189568912343226,0.8139949283805086,0.7482866150366665,0.637687615653485,0.7797315125762456
EOS-4-03895,C#CCOc1ncc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)cn1,TWGBZJAHUNZXCU-UHFFFAOYSA-N,4,1,0.308,68,364,408.372,2.086,4,0.447,0.62,1.0,0.3697056404632993,0.3209512713316428,0.4075286135288877,0.1911366595846755,0.3223305462271263
EOS-4-03896,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)c2)n1,BYWROYKRRINTNO-UHFFFAOYSA-N,4,1,0.534,35,161,445.433,3.851,5,0.392,0.77,1.0,0.940168597080392,0.9146305942019053,0.6808820505791241,0.6317935713796176,0.7918687033102597
EOS-4-03897,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(F)c4)n23)ccc1F,SJWHRUUAMVDORP-UHFFFAOYSA-N,4,1,0.547,4,702,447.43,4.039,5,0.401,0.69,1.0,0.7764032622849701,0.8177815091494757,0.8080323487081077,0.7767288054280036,0.7947364813926393
EOS-4-03898,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4F)n23)c1F,HHVITOAJNFNCNS-UHFFFAOYSA-N,4,1,0.453,37,24,450.384,3.077,5,0.364,0.59,1.0,0.784995887876088,0.8531457747926804,0.6448238640257693,0.6464344458913028,0.7323499931464601
EOS-4-03899,OCc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccncn5)c4)n23)n1,LYSWSADLEGIUTJ-UHFFFAOYSA-N,4,1,0.5,4,92,429.415,2.854,5,0.439,0.73,1.0,0.7413131382358988,0.6759218011102734,0.6208964430128161,0.5550253580974573,0.6482891851141115
EOS-4-03900,Fc1cc(F)c(COc2cncc3nnc(-c4cncc(-c5nncs5)c4)n23)cc1F,XEWAJLCMHFPRQU-UHFFFAOYSA-N,4,1,0.488,2,875,441.398,3.701,5,0.384,0.66,1.0,0.6439928723185525,0.6955914604893427,0.8405181276129121,0.8330563360975944,0.7532896991296005
EOS-4-03901,Fc1cnc(-c2cc(F)cc(-c3nnc4cncc(OCc5cccs5)n34)c2)nc1,GXFZTRCSIZFVKI-UHFFFAOYSA-N,4,1,0.736,73,82,422.42,4.167,5,0.423,0.73,1.0,0.6986926872729765,0.705666164073744,0.6861849770406415,0.689628880816942,0.695043177301076
EOS-4-03902,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ccc(C#N)nn1,IJIFKKFXIROVRH-UHFFFAOYSA-N,4,1,0.539,43,383,453.437,3.847,5,0.381,0.74,1.0,0.9401771640052087,0.914639161126722,0.8039544924953739,0.7226715098348296,0.8453605818655335
EOS-4-03903,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c(Cl)c1,JLGBVHJZMGOTTI-UHFFFAOYSA-N,4,1,0.55,24,912,438.875,4.681,5,0.396,0.69,1.0,0.7989000068535399,0.7856726749366048,0.7595778219450346,0.7931773010760057,0.7843319512027962
EOS-4-03904,CCc1nc(-c2nnc3cncc(COCC(F)F)n23)ccc1-c1ccc(F)cn1,LHPMFOZNWUYTOF-UHFFFAOYSA-N,4,1,0.356,68,585,414.391,3.732,4,0.459,0.63,0.753,0.5000342676992666,0.5326828181755877,0.6670550339250223,0.6376961825783017,0.5843670755945446
EOS-4-03905,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cnc1-c1cncnc1,ORXOFIXFFMCSRI-UHFFFAOYSA-N,4,1,0.517,65,234,414.404,2.799,5,0.418,0.7,1.0,0.8174816667808923,0.7641611267219519,0.432741073264341,0.41738057706805565,0.6079411109588102
EOS-4-03906,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,BTUXGTFXMGHQPI-UHFFFAOYSA-N,4,1,0.465,24,28,441.398,3.701,5,0.384,0.68,1.0,0.7734819409224865,0.7980861489959564,0.632376122267151,0.6285895414981838,0.7081334384209444
EOS-4-03907,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4cncnc4)c3)n12,AFYRLVJWSFOTAH-UHFFFAOYSA-N,4,1,0.565,75,496,414.404,2.799,5,0.418,0.63,1.0,0.7443629634706326,0.7007744500034268,0.5274312932629703,0.48297752038928105,0.6138865567815777
EOS-4-03908,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cocn5)c4)n23)c1F,DATLRSRWZOMECK-UHFFFAOYSA-N,4,1,0.55,24,912,406.352,3.699,5,0.439,0.6,1.0,0.8202316496470426,0.6137773284901652,0.8307089986978274,0.8018984305393736,0.7666541018436022
EOS-4-03909,Cc1cc(-c2nnc3cncc(COc4cccnc4F)n23)ccc1-c1ccncc1,QCTFDGDBQFUVFR-UHFFFAOYSA-N,4,1,0.417,14,189,412.428,4.275,5,0.401,0.79,1.0,0.6591820300185045,0.5608680008224248,0.7807295593173874,0.7148156397779453,0.6788988074840656
EOS-4-03911,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccncn5)c4)n23)nc1Cl,LTTWVAZXNZUJHU-UHFFFAOYSA-N,4,1,0.424,51,199,435.81,2.805,5,0.384,0.65,1.0,0.7562110204920841,0.6759303680350901,0.3555702145157974,0.3827702008087177,0.5426204509629222
EOS-4-03912,Fc1ncc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1Cl,QFUWXWQPNXRUTA-UHFFFAOYSA-N,4,1,0.554,11,201,452.902,4.724,5,0.347,0.68,1.0,0.9339490096634911,0.9411452265094922,0.7595863888698513,0.7696782263038859,0.8510897128366801
EOS-4-03913,Fc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)n2)nc1,SYBWSLNEDBOVAF-UHFFFAOYSA-N,4,1,0.461,24,799,452.812,3.549,5,0.373,0.59,1.0,0.7381176752792817,0.8329535329997944,0.590004112123912,0.6464430128161195,0.7018795833047768
EOS-4-03914,N#Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)c1,YMQQNMUJFYUANL-UHFFFAOYSA-N,4,1,0.442,72,208,459.832,3.281,5,0.388,0.59,1.0,0.8797460763484339,0.9239171407031732,0.6888407237338086,0.72539579192653,0.8044749331779865
EOS-4-03915,Fc1ccc(Oc2cncc3nnc(-c4cnnc(-c5cccnn5)c4)n23)c(F)c1,NMIRDWUUQOKUIT-UHFFFAOYSA-N,4,1,0.437,13,251,404.34,3.109,5,0.45,0.66,1.0,0.593019669659379,0.6566205194983209,0.644832430950586,0.6750736755534233,0.6423865739154273
EOS-4-03916,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5nccs5)ncn4)n23)cc1F,LXNKQEOEBYXMSA-UHFFFAOYSA-N,4,1,0.422,44,488,441.398,3.701,5,0.384,0.67,0.988,0.6530566787745871,0.6040453018984305,0.7552515249126174,0.7542834624083339,0.6916592419984922
EOS-4-03917,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c(F)c1F,QVLHJSOGOMDPGZ-UHFFFAOYSA-N,4,1,0.333,96,558,429.39,3.292,5,0.469,0.78,1.0,0.19625968062504284,0.2642896305942019,0.8058906175039408,0.7838222191762045,0.5125655369748475
EOS-4-03918,Cn1c(CCOc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)nc2cc(F)ccc21,RJUQZOVNOZNGRH-UHFFFAOYSA-N,4,1,0.59,23,86,440.841,4.231,5,0.409,0.76,1.0,0.9329209786854911,0.9040504420533205,0.7409533273935988,0.8248492221232266,0.8506934925639091
EOS-4-03919,CN(Cc1ccc(F)c(F)c1)Cc1cncc2nnc(-c3ccc(-c4cncn4C)cc3F)n12,NYIYQDYPMYGQOM-UHFFFAOYSA-N,4,1,0.389,45,358,463.467,4.241,5,0.377,0.72,1.0,0.4257590295387568,0.5236532794188198,0.8774929751216504,0.8551847028990474,0.6705224967445685
EOS-4-03920,COc1cc(-c2nnc3cncc(OCc4cccnc4F)n23)ccc1-c1cncnc1,SIVJLXOJDJKHBF-UHFFFAOYSA-N,4,1,0.467,16,83,429.415,3.37,5,0.379,0.7,1.0,0.9203361661298061,0.7240593516551299,0.709795421835378,0.5743780412583099,0.732142245219656
EOS-4-03921,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)n2)c1,OIHWAFNFRXSIHM-UHFFFAOYSA-N,4,1,0.477,24,208,452.812,3.549,5,0.373,0.56,1.0,0.6808135151805907,0.8063532314440408,0.5998475087382633,0.6575800150777876,0.6861485676101707
EOS-4-03922,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccccn1,GXZLQJKVLZCJTB-UHFFFAOYSA-N,4,1,0.56,72,799,433.834,4.015,5,0.413,0.73,1.0,0.8097885682955246,0.8294325269001439,0.6834178603248577,0.7278716331985471,0.7626276471797684
EOS-4-03923,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cc(C(F)(F)F)ccn4)n23)nc1,LEIUNMKEWNGQAA-UHFFFAOYSA-N,4,1,0.354,66,505,428.378,2.572,4,0.503,0.8,1.0,0.14604893427455282,0.12764717976835036,0.7643581659927352,0.5051915564389007,0.3858114591186348
EOS-4-03924,OCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nc1,BCOCYOPSEUVTOB-UHFFFAOYSA-N,4,1,0.505,65,904,444.43,2.291,5,0.402,0.64,1.0,0.7734905078473031,0.7194417791789459,0.40029812898362005,0.3377510108971284,0.5577453567267494
EOS-4-03925,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4Cl)n23)c1,NUNYYBBQHVEXNV-UHFFFAOYSA-N,4,1,0.573,35,429,452.902,4.724,5,0.371,0.63,1.0,0.8471232266465629,0.8816565005825509,0.7932372695497224,0.8310002741415942,0.8382543177301076
EOS-4-03926,Fc1cc(-c2nnc3cncc(F)n23)ccc1-c1ccc(-c2nnc3cnccn23)nc1,AILDJTHPOJEXAQ-UHFFFAOYSA-N,4,1,0.544,42,151,427.378,3.236,6,0.428,0.74,1.0,0.3395757658830786,0.34482729079569596,0.602845932424097,0.692747241450209,0.4949990576382701
EOS-4-03927,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(Br)cn5)n34)cn2)cc1,HUNRLQQKADRAJS-UHFFFAOYSA-N,4,1,0.386,96,856,448.259,4.212,5,0.411,0.82,1.0,0.30706428620382425,0.4605578781440614,0.6089370159687478,0.7009115208004935,0.5193676752792817
EOS-4-03928,Fc1cc(-c2ncnnc2-c2nnc3cncc(Br)n23)ccc1Cl,BBYTZIXMDROLGT-UHFFFAOYSA-N,4,1,0.492,22,861,406.606,3.198,4,0.508,0.78,0.989,0.29418819820437253,0.35422520731958057,0.5477263381536563,0.7647179768350353,0.4902144301281611
EOS-4-03930,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5nccs5)ncn4)n23)c1F,CHSZCUSRVNHZQQ-UHFFFAOYSA-N,4,1,0.407,44,488,441.398,3.701,5,0.384,0.68,0.996,0.6530652456994037,0.6137858954149819,0.7253700911520801,0.7307415530121307,0.6807406963196491
EOS-4-03931,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccncc5F)n34)cnn2)nc1,OHOCIMRNJAXYDV-UHFFFAOYSA-N,4,1,0.448,73,382,419.355,2.29,5,0.423,0.57,0.981,0.7016054417106435,0.6228497018710164,0.3744174491124666,0.3923480227537523,0.5228051538619697
EOS-4-03932,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cc2F)ncc1F,JOOFHQWNBOJSIO-UHFFFAOYSA-N,4,1,0.489,73,82,466.839,3.857,5,0.36,0.71,1.0,0.8834898224933178,0.8679751216503324,0.6504866013295867,0.6433417860324858,0.7613233328764306
EOS-4-03933,Cc1cccnc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc(F)n1,KBXWRBQQYDYHCA-UHFFFAOYSA-N,4,1,0.517,58,578,445.433,3.851,5,0.367,0.65,1.0,0.8834983894181344,0.789947570420122,0.6179237201014324,0.5679785484202591,0.714837057089987
EOS-4-03934,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4Cl)n23)ccc1F,YDDXXIWZNOPTGI-UHFFFAOYSA-N,4,1,0.511,4,702,463.885,4.553,5,0.376,0.68,1.0,0.729550750462614,0.853154341717497,0.7978462751010897,0.8040915632924406,0.7961607326434104
EOS-4-03935,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)nc1,UFKUOOVOFYXUKY-UHFFFAOYSA-N,4,1,0.549,65,262,432.394,2.938,5,0.377,0.7,1.0,0.9009235144952368,0.9016174354053869,0.48247207182509766,0.4616287437461449,0.6866604413679664
EOS-4-03937,Cn1ncc(-c2ccc(-c3nnc4cncc(CNc5ccc(F)c(F)c5)n34)cc2F)cc1=O,DSSNRGKFYHFEGV-UHFFFAOYSA-N,4,1,0.333,45,471,463.423,3.581,5,0.429,0.73,1.0,0.37895791926530054,0.4870382427523816,0.8548934274552806,0.8409978754026455,0.6404718662189021
EOS-4-03938,N#Cc1nc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ccsc5)c4)n23)ccc1F,XIILJDNTJSHMNO-UHFFFAOYSA-N,4,1,0.5,4,702,463.885,4.553,5,0.352,0.69,1.0,0.7413217051607155,0.7686587622507025,0.759594955794668,0.7670910150092523,0.7591666095538345
EOS-4-03939,N#Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccc(F)nn1,OPEMRJLLSOGJKQ-UHFFFAOYSA-N,4,1,0.472,72,208,459.832,3.281,5,0.388,0.64,0.999,0.837888081694195,0.9065434171749709,0.6562692755808375,0.67508224247824,0.7689457542320608
EOS-4-03940,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccc(F)cn1,LSOLEHOGVUPQLH-UHFFFAOYSA-N,4,1,0.552,35,777,442.454,4.018,5,0.376,0.73,1.0,0.9500119936947433,0.832962099924611,0.6942978548420259,0.589952710575012,0.766806164759098
EOS-4-03942,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncncc1F,HGCHZZITRVEUDK-UHFFFAOYSA-N,4,1,0.505,35,982,461.432,3.552,5,0.363,0.58,1.0,0.8961774381468028,0.7813206771297375,0.7174114179973956,0.6203738605989993,0.7538208484682338
EOS-4-03943,Fc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)nc1,AJHXUMJDLUUJAU-UHFFFAOYSA-N,4,1,0.262,86,953,449.413,2.696,6,0.395,0.6,1.0,0.2045952984716606,0.27463847577273665,0.1994380097320266,0.2581642793502844,0.23420901583167708
EOS-4-03944,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(Cc5ccc(F)c(Cl)c5)cn4)n23)cc1F,GDXAMAZITUDUDR-UHFFFAOYSA-N,4,1,0.402,45,837,477.862,3.87,5,0.411,0.74,1.0,0.2885083270509218,0.442850044548009,0.8323795490370777,0.8466691796312795,0.602601775066822
EOS-4-03945,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,GGYZPYZOKJIAQA-UHFFFAOYSA-N,4,1,0.605,35,202,413.416,3.404,5,0.421,0.68,1.0,0.8738006305256665,0.8972140360496196,0.669822150640806,0.6520200808717703,0.7732142245219656
EOS-4-03947,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)c(Cl)c3)n12,UOECVSWBOQGMLE-UHFFFAOYSA-N,4,1,0.571,35,161,452.902,4.724,5,0.371,0.64,1.0,0.8778870536632171,0.9040590089781372,0.7913268453156055,0.8151257624563086,0.8470996676033171
EOS-4-03948,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)ncc1F,GFKLQTDCNOURAP-UHFFFAOYSA-N,4,1,0.581,35,509,445.433,3.851,5,0.392,0.74,1.0,0.9629994517168118,0.9085309437324378,0.6089455828935645,0.5679871153450757,0.7621157734219725
EOS-4-03950,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cccnn1,CAWBVLMIEQSQHR-UHFFFAOYSA-N,4,1,0.565,43,433,428.427,3.975,5,0.404,0.79,1.0,0.9104413679665547,0.8433366458775958,0.7759577821945035,0.6927558083750257,0.8056229011034199
EOS-4-03951,Fc1cnccc1CCOc1cncc2nnc(-c3cnc(F)c(-c4ccsc4)c3)n12,ITBAUAYHMGMGFY-UHFFFAOYSA-N,4,1,0.541,2,904,436.447,4.21,5,0.371,0.68,1.0,0.8020355013364403,0.7427609485299157,0.7783822219176204,0.7670995819340689,0.7725695634295113
EOS-4-03952,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)cn2)cs1,KFGGEVPFEDKKCZ-UHFFFAOYSA-N,4,1,0.506,59,445,454.437,4.615,5,0.361,0.73,1.0,0.8202402165718594,0.8398070728531286,0.8609673771502981,0.8289185114111438,0.8374832944966075
EOS-4-03953,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)nc3F)n12,IPKHWNKUQIEZKI-UHFFFAOYSA-N,4,1,0.5,11,699,431.406,3.543,5,0.38,0.7,1.0,0.7079963676238777,0.8177900760742923,0.5709598382564595,0.5839130285792612,0.6701648276334726
EOS-4-03954,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)ccn2)cs1,KEMJKSTXTKDWFK-UHFFFAOYSA-N,4,1,0.518,59,445,454.437,4.615,5,0.361,0.73,1.0,0.8149201562607087,0.7558683434994174,0.865353642656432,0.8330649030224111,0.8173017613597422
EOS-4-03955,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4Cl)n23)c1,DBGAATNQDJWNEA-UHFFFAOYSA-N,4,1,0.506,35,143,448.849,3.452,5,0.364,0.62,1.0,0.8425142210951957,0.8870108285929683,0.5709684051812761,0.6112072510451648,0.7279251764786513
EOS-4-03956,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1F)N1CCCCC1,CMJSMRDBNOLXDX-UHFFFAOYSA-N,4,1,0.368,0,21,452.44,4.556,5,0.454,0.88,0.945,0.18228702624905763,0.2851158248235213,0.08777671167157837,0.3345384140908779,0.22242949420875882
EOS-4-03957,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ccccn1,WOOGJPDZTNAGCT-UHFFFAOYSA-N,4,1,0.373,14,189,428.427,3.975,5,0.378,0.83,1.0,0.6470855321773696,0.5558734836543074,0.7253786580768967,0.6080888904118977,0.6341066410801179
EOS-4-03958,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cc(F)n1,YWBIWCFJMNQJMW-UHFFFAOYSA-N,4,1,0.603,11,201,420.379,3.741,5,0.387,0.7,1.0,0.9458142005345761,0.8294410938249606,0.7620450962922349,0.717402851072579,0.8136758104310876
EOS-4-03959,COc1cc(-c2nnc3cncc(OCc4cncnc4)n23)ccc1-c1ccnc(F)c1,LYKFFPNTSILEBQ-UHFFFAOYSA-N,4,1,0.456,16,83,429.415,3.37,5,0.379,0.68,1.0,0.9229747789733397,0.7558769104242341,0.7174199849222124,0.5899612774998286,0.7465582379549037
EOS-4-03960,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncccc1F,JWBAUFZZGQPAQB-UHFFFAOYSA-N,4,1,0.565,35,777,442.454,4.018,5,0.376,0.71,1.0,0.9267870605167569,0.8022925090809403,0.6642536495099719,0.5646545815913919,0.7394969501747652
EOS-4-03962,Cc1nc(-c2nnc3cncc(OCc4cccc(C(F)(F)F)n4)n23)ccc1-c1nnco1,YYIORICTVZTHBW-UHFFFAOYSA-N,4,1,0.43,27,52,454.372,3.538,5,0.393,0.64,1.0,0.6684942772942225,0.5514101158248236,0.714849907477212,0.5083784524707011,0.6107831882667398
EOS-4-03963,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,MFCRFYFZKOXKJC-UHFFFAOYSA-N,4,1,0.585,35,352,436.447,4.21,5,0.371,0.74,1.0,0.8072870262490577,0.8329706668494278,0.7714772805153862,0.7671081488588856,0.7947107806181892
EOS-4-03964,CNC(=O)c1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1Cl,WVZHBTZBMDQEIX-UHFFFAOYSA-N,4,1,0.679,48,378,425.851,3.565,4,0.51,0.88,1.0,0.8672469330409156,0.7194503461037626,0.7434720032896991,0.7335515043519978,0.7659301966965937
EOS-4-03965,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C#N)cc4F)n23)cn1,JMTMXJMCXVQABY-UHFFFAOYSA-N,4,1,0.403,68,364,395.348,3.295,4,0.526,0.68,1.0,0.41645534918785554,0.6137944623397985,0.896999862929203,0.8171132890137757,0.6860907408676581
EOS-4-03966,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,RANSSXMXKUNVLH-UHFFFAOYSA-N,4,1,0.583,11,0,452.902,4.724,5,0.347,0.68,1.0,0.9074001096566376,0.9220752518675897,0.7714858474402029,0.7931858680008225,0.8485367692413133
EOS-4-03967,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5Cl)n34)ccn2)n[nH]1,CVXSTEIIGUCBOR-UHFFFAOYSA-N,4,1,0.456,73,564,440.801,3.482,5,0.446,0.57,1.0,0.8281560551024604,0.7285227194846138,0.7871804537043383,0.8082550887533411,0.7880285792611884
EOS-4-03968,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnsc5)c4)n23)c1F,SVOFBGLVXAAWCK-UHFFFAOYSA-N,4,1,0.537,59,183,422.42,4.167,5,0.423,0.62,1.0,0.735299157014598,0.6088342128709479,0.8504643273250634,0.8350952642039613,0.7574232403536426
EOS-4-03969,Cc1ncc(F)cc1COc1cncc2nnc(-c3ccc(-c4nnc(F)s4)cc3F)n12,MYBCNDIKACDSEZ-UHFFFAOYSA-N,4,1,0.467,34,772,455.425,4.01,5,0.395,0.65,1.0,0.8494876978959632,0.8177986429991091,0.6590706599958879,0.6285981084230005,0.7387387773284902
EOS-4-03970,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cccc(F)n5)n34)ccn2)nc1,LLUJQCGWKXRQDS-UHFFFAOYSA-N,4,1,0.541,24,912,417.379,3.501,5,0.404,0.74,1.0,0.6470940991021863,0.594724487697896,0.6808906175039408,0.6635939962990884,0.6465758001507778
EOS-4-03971,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(O)C(F)F)cc4)n23)cc1F,LDNWXJZAERLNAM-UHFFFAOYSA-N,4,1,0.35,0,682,441.413,3.646,4,0.477,0.7,1.0,0.4750702487834967,0.5947330546227126,0.9512113631690768,0.9141508464121719,0.7337913782468646
EOS-4-03972,Cn1cncc1-c1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)n4)n23)ccc1F,USHJPLXJSDMWJM-UHFFFAOYSA-N,4,1,0.405,13,125,439.813,4.311,5,0.388,0.74,1.0,0.787754437667055,0.7514135425947502,0.8788551161675006,0.8731838119388664,0.822801727092043
EOS-4-03973,Fc1cnc(-c2cnnc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)c(F)c5)n34)c2)cn1,WYFNBDSETKFTMJ-UHFFFAOYSA-N,4,1,0.286,39,356,485.393,2.975,6,0.367,0.65,0.134,0.27741415941333697,0.3448358577205126,0.5205948872592694,0.6143513124528819,0.43929905421150023
EOS-4-03974,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c1,XJMKQAOVSZGTOS-UHFFFAOYSA-N,4,1,0.471,24,28,441.398,3.701,5,0.384,0.61,0.998,0.802044068261257,0.8140034953053252,0.6386556781577685,0.6286066753478171,0.720827479268042
EOS-4-03976,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)c2)ncc1F,JXCRXHULHHSKHP-UHFFFAOYSA-N,4,1,0.57,35,509,445.433,3.851,5,0.392,0.74,1.0,0.9622969638818449,0.9105870056884381,0.6089541498183811,0.5646631485162086,0.7616253169762182
EOS-4-03977,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c(F)c2)ccn1,ASBSSYDRQGPTOG-UHFFFAOYSA-N,4,1,0.506,11,275,444.445,4.456,5,0.385,0.79,1.0,0.8447330546227126,0.8948923994243027,0.7829912274689877,0.7620536632170516,0.8211675861832637
EOS-4-03978,CNC(=O)c1ccc(-c2nnc3cncc(CN(C)c4ccc(F)c(F)c4)n23)cc1F,MDIYSWHQNCWFLU-UHFFFAOYSA-N,4,1,0.468,23,646,426.402,3.205,4,0.531,0.78,1.0,0.3719416078404496,0.44285861147282574,0.8161280926598589,0.7009200877253101,0.582962099924611
EOS-4-03979,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)ccc1-c1cccnn1,QBXFLUHEIHHQQF-UHFFFAOYSA-N,4,1,0.557,91,925,476.899,4.671,5,0.337,0.73,1.0,0.9482900418065932,0.9396717154410252,0.8438078267425125,0.8082636556781577,0.8850083099170721
EOS-4-03980,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4c(F)ccc(Cl)c4F)n23)cc1F,KWQSIXHVJFBUPG-UHFFFAOYSA-N,4,1,0.344,23,188,443.816,4.421,5,0.474,0.87,1.0,0.38818449729285176,0.5326913851004044,0.8549019943800973,0.9290230278939072,0.6762002261668152
EOS-4-03981,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)nn5)c(F)c4)n23)c1,CNVHVQZDFCCYRO-UHFFFAOYSA-N,4,1,0.533,37,589,466.839,3.591,5,0.374,0.65,1.0,0.9473990816256597,0.9546467000205606,0.5868172160921116,0.652028647796587,0.7852229113837298
EOS-4-03982,Fc1cccc(-c2cnccc2-c2nnc3cncc(-c4nncc(-c5ccc(Cl)nc5)n4)n23)c1,NCQWFHBBPAEAFV-UHFFFAOYSA-N,4,1,0.345,42,106,481.882,4.56,6,0.337,0.73,0.991,0.2668939757384689,0.42070454389692274,0.6531937495716538,0.7671167157837023,0.5269772462476869
EOS-4-03983,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnsc5)nc4)n23)c1F,OZGPVCSJVCPBGK-UHFFFAOYSA-N,4,1,0.518,59,109,422.42,4.167,5,0.423,0.64,1.0,0.7764118292097869,0.7103265711740113,0.8438163936673292,0.8289270783359606,0.789870468096772
EOS-4-03984,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)ccn1,SZJSUQKZSLKYBW-UHFFFAOYSA-N,4,1,0.549,65,262,448.849,3.452,5,0.364,0.72,1.0,0.9203447330546227,0.9493609074086766,0.4824806387499143,0.5052001233637173,0.7143466006442328
EOS-4-03986,Fc1nccc(CCCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1F,QBGWYMBGQRJTPR-UHFFFAOYSA-N,4,1,0.5,11,201,450.474,4.6,5,0.266,0.6,1.0,0.8778956205880337,0.8622181481735316,0.6754763210198067,0.6692053320540059,0.7711988554588445
EOS-4-03987,Fc1nccnc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccn1,DUNHBIBALAAYKB-UHFFFAOYSA-N,4,1,0.443,51,48,435.81,2.805,5,0.41,0.61,1.0,0.6987012541977932,0.6956000274141594,0.27457850729901995,0.31873243780412586,0.49690305667877455
EOS-4-03988,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4F)n23)c1,PHHHBCVSJBSCNW-UHFFFAOYSA-N,4,1,0.522,11,143,431.406,3.543,5,0.38,0.66,1.0,0.8629977383318485,0.8791549585360839,0.6028544993489137,0.6112158179699815,0.7390557535467069
EOS-4-03989,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3F)n12,OBQDJSDAZVTPAK-UHFFFAOYSA-N,4,1,0.56,35,0,436.447,4.21,5,0.397,0.7,1.0,0.8650538002878487,0.864968131039682,0.7736618463436364,0.7720084298540196,0.8189230518812967
EOS-4-03991,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3cc(-c4cccnn4)cnn3)n12,ROZVOLBSMHMPID-UHFFFAOYSA-N,4,1,0.383,53,511,435.81,2.805,5,0.384,0.61,1.0,0.6625145637721883,0.5947416215475293,0.5030412583099171,0.555033925022274,0.5788328421629771
EOS-4-03992,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cncc(F)c1,QSTNLGUQEYGGIP-UHFFFAOYSA-N,4,1,0.553,35,103,442.454,4.018,5,0.376,0.7,1.0,0.917551915564389,0.7856812418614214,0.7620536632170516,0.6636025632239051,0.7822223459666917
EOS-4-03993,CN(Cc1cncc2nnc(-c3ccc(-c4nncs4)cc3F)n12)c1ccc(F)c(F)c1,WJJUDVZDYFZNBP-UHFFFAOYSA-N,4,1,0.408,45,487,453.453,4.364,5,0.394,0.67,1.0,0.2644267013912686,0.3592454252621479,0.8141834007264752,0.7793160167226373,0.5542928860256322
EOS-4-03994,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cccnc1,KOIRWBWOXMLNBJ-UHFFFAOYSA-N,4,1,0.404,14,257,428.427,3.975,5,0.378,0.8,1.0,0.6499554519909533,0.5746007813035433,0.7807381262422041,0.672143787266123,0.6693595367007059
EOS-4-03995,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4Cl)n23)c1F,XEAGEJYDISEPAU-UHFFFAOYSA-N,4,1,0.512,88,490,470.892,4.863,5,0.352,0.63,1.0,0.7621907340141183,0.8433452128024125,0.8357806181892947,0.8731923788636831,0.8286272359673771
EOS-4-03996,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,BFHVGUZDZVSLPF-UHFFFAOYSA-N,4,1,0.471,59,332,438.875,4.681,5,0.396,0.79,1.0,0.7503255431430333,0.7103351380988281,0.7714944143650195,0.810628126927558,0.7606958056336098
EOS-4-03997,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4cnccn4)nn3)n12,IWMQGWLZGUSZHI-UHFFFAOYSA-N,4,1,0.393,54,564,435.81,2.805,5,0.41,0.63,1.0,0.7203327393598794,0.632221917620451,0.45480090466726064,0.505208690288534,0.5781410629840312
EOS-4-03999,Cc1cccnc1-c1cc(-c2nnc3cncc(OCc4ncc(F)cn4)n23)ccc1F,FSAOVCXVLGVXCA-UHFFFAOYSA-N,4,1,0.5,73,196,431.406,3.809,5,0.418,0.73,1.0,0.8891354259475018,0.7899561373449386,0.617932287026249,0.5960009594955795,0.7232562024535673
EOS-4-04000,CCc1nc(-c2nnc3cncc(OCc4cc(F)nc(F)c4)n23)ccc1-c1ccnc(F)c1,VTXVYDWMOMCLNS-UHFFFAOYSA-N,4,1,0.394,46,565,463.423,4.202,5,0.349,0.6,1.0,0.6685028442190392,0.7007830169282434,0.755260091837434,0.7093842094441779,0.7084825406072236
EOS-4-04001,Clc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,ODPXXUWGMRFVFB-UHFFFAOYSA-N,4,1,0.617,72,386,429.871,3.918,5,0.404,0.78,1.0,0.8149287231855253,0.9016260023302035,0.6264820779932835,0.6520372147214036,0.748768504557604
EOS-4-04002,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3nc(Cl)cnc3F)n12,CECORGLKUPSDCH-UHFFFAOYSA-N,4,1,0.453,58,28,466.839,3.591,5,0.35,0.58,0.937,0.8518007675964636,0.8791635254609006,0.38558015214858476,0.4645843328078953,0.6452821945034611
EOS-4-04003,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(F)c5)n34)cc2F)n[nH]1,QNUZCEOAWZXKPL-UHFFFAOYSA-N,4,1,0.6,88,752,451.412,3.924,5,0.421,0.63,1.0,0.9243112192447399,0.8924679597011856,0.7932458364745391,0.7861181550270715,0.8490357926118841
EOS-4-04004,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(O)c5ccccc5)cc4)n23)cc1F,HFJMECBWRZQITN-UHFFFAOYSA-N,4,1,0.365,79,504,439.45,3.778,5,0.434,0.79,1.0,0.4010862860667535,0.4021228839695703,0.9281834692618738,0.9108954149818381,0.6605720135700089
EOS-4-04005,Fc1cc(-c2nnc3cncc(-c4nnc(-c5cccnc5)nn4)n23)ccc1C1COC1,AUSNSZAMKYPCJG-UHFFFAOYSA-N,4,1,0.337,8,311,427.403,2.353,6,0.426,0.62,1.0,0.39247652662600235,0.4965218285244329,0.28562127338770477,0.38277876773353436,0.3893495990679186
EOS-4-04006,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)c1,QVZFTJCLCGALKL-UHFFFAOYSA-N,4,1,0.553,35,0,436.447,4.21,5,0.397,0.69,1.0,0.8961860050716195,0.8679836885751491,0.7552686587622507,0.7542920293331505,0.8184325954355425
EOS-4-04007,N#Cc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,BQWQCCKNGDVFPA-UHFFFAOYSA-N,4,1,0.528,11,922,453.893,4.395,5,0.375,0.69,0.999,0.9041875128503872,0.9126345007196217,0.7913354122404221,0.8041001302172572,0.853064389006922
EOS-4-04008,Cc1ccnc(OCc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(F)c4)n23)c1,MQQZPKCLUKWKEC-UHFFFAOYSA-N,4,1,0.4,73,767,447.861,4.323,5,0.396,0.72,1.0,0.6746795970118566,0.7194589130285792,0.6619234459598382,0.6464515797409361,0.6756283839353026
EOS-4-04009,Cc1ncc(-c2ccc(-c3nnc4cncc(CNc5cnc(Cl)c(F)c5)n34)c(F)c2)s1,UYAKPOXKZOWLOB-UHFFFAOYSA-N,4,1,0.318,14,291,469.908,5.162,5,0.358,0.77,1.0,0.14913302720855323,0.21339353025837846,0.7807466931670207,0.7743814680282366,0.47941367966554727
EOS-4-04010,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5cncnc5F)c4)n23)c1F,MOOGBTDWRLRNKE-UHFFFAOYSA-N,4,1,0.436,75,606,432.394,3.204,5,0.39,0.65,1.0,0.7734990747721198,0.594750188472346,0.6590792269207045,0.5711740113768762,0.6496256253855117
EOS-4-04011,Fc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,QCGUXKWFTUMZKR-UHFFFAOYSA-N,4,1,0.435,51,775,470.255,3.458,5,0.356,0.66,1.0,0.765034953053252,0.8498817764375299,0.3294153930505106,0.442644438352409,0.5967441402234254
EOS-4-04012,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(OCC3Cc4c(F)cccc4O3)n12,LJYFVZTVJZQPDO-UHFFFAOYSA-N,4,1,0.489,88,325,448.389,3.502,6,0.403,0.55,1.0,0.9148533342471387,0.8764649441436502,0.8102340483859913,0.7931944349256391,0.8486866904256049
EOS-4-04013,Fc1cnc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)cc3)n12,ORHPIMDDKKQDHZ-UHFFFAOYSA-N,4,1,0.506,20,846,448.849,3.452,5,0.364,0.6,1.0,0.941976218216709,0.9438866424508259,0.4365533548077582,0.4739565485573299,0.6990931910081558
EOS-4-04014,Cc1cc(F)ccc1-c1cncnc1-c1nnc2cncc(-c3ccc(C4COC4)cn3)n12,OTJMSJAHMSJHET-UHFFFAOYSA-N,4,1,0.295,82,155,439.454,3.872,6,0.42,0.56,0.91,0.3903604961962854,0.45173394558289354,0.6562778425056541,0.6692138989788226,0.541896545815914
EOS-4-04015,Cc1nc(-c2nnc3cncc(COc4ccncc4F)n23)ccc1-c1ccnc(F)n1,VDOKWNYHPBBREU-UHFFFAOYSA-N,4,1,0.35,85,920,432.394,3.204,5,0.39,0.54,1.0,0.6440014392433692,0.5514186827496402,0.5030498252347337,0.4363905832362415,0.5337151326159961
EOS-4-04016,OCc1ccc(-c2ccc(-c3nnc4cncc(Br)n34)cn2)cc1F,AZNIKIFKGQNKCY-UHFFFAOYSA-N,4,1,0.522,90,861,400.211,3.247,4,0.572,0.8,1.0,0.4119405798094716,0.49152731135631555,0.8638030292646152,0.8635545884449318,0.6577063772188336
EOS-4-04017,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cn1,WPSVRJDHEKRVPV-UHFFFAOYSA-N,4,1,0.554,11,201,436.447,4.21,5,0.371,0.59,1.0,0.9134140908779385,0.9065519840997875,0.7620622301418682,0.7414844767322322,0.8308781954629566
EOS-4-04018,COc1ncc(-c2cncc3nnc(-c4ccc(-c5ccccc5C)c(F)c4)n23)cn1,CWNQXDQLDPBBDR-UHFFFAOYSA-N,4,1,0.4,96,478,412.428,4.371,5,0.436,0.78,1.0,0.4947313412377493,0.5373860598999384,0.7457765060653828,0.6750908094030567,0.6132461791515318
EOS-4-04019,N#Cc1cc(-c2nnc3cncc(OCCc4cc(Cl)c(Cl)nn4)n23)ccc1Cl,XADSIIQYCQXSHV-UHFFFAOYSA-N,4,1,0.549,90,281,446.685,4.035,4,0.456,0.68,1.0,0.9189654581591392,0.9703413062846961,0.8141919676512919,0.902851072578987,0.9015874511685286
EOS-4-04020,Clc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)ncn1,HJGJMLBSKVLXIB-UHFFFAOYSA-N,4,1,0.565,4,71,450.289,4.529,5,0.364,0.75,1.0,0.7016140086354602,0.7938626550613391,0.7434805702145157,0.8019069974641903,0.7602160578438764
EOS-4-04022,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cc2F)n1,RJXARERYNXNXJM-UHFFFAOYSA-N,4,1,0.539,35,619,461.888,4.366,5,0.371,0.75,1.0,0.9630080186416284,0.9546552669453773,0.661932012884655,0.6636111301487219,0.8108016071550956
EOS-4-04023,Fc1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cn1,FDSIKZCTESTVRW-UHFFFAOYSA-N,4,1,0.554,11,201,452.902,4.724,5,0.347,0.59,1.0,0.9243197861695566,0.939680282365842,0.7643667329175519,0.7838307861010212,0.8530493968884929
EOS-4-04024,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4F)n23)cc1F,YFOPZYMWKCBQFK-UHFFFAOYSA-N,4,1,0.322,96,648,459.416,3.678,5,0.427,0.82,1.0,0.5511959427044069,0.5097748612158179,0.6996693167020767,0.5930625042834624,0.5884256562264409
EOS-4-04025,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cc2)ccn1,GQSXKMLEBMCFED-UHFFFAOYSA-N,4,1,0.554,11,201,426.455,4.317,5,0.377,0.78,1.0,0.9561801795627441,0.9338033719416079,0.7333544650812145,0.6692224659036392,0.8231401206223014
EOS-4-04026,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)cnn2)ccn1,ULLCMIOJHQUMNP-UHFFFAOYSA-N,4,1,0.489,35,778,432.394,2.938,5,0.377,0.47,1.0,0.7047580700431773,0.6908368172160921,0.6419111095881023,0.6318021383044342,0.6673270337879514
EOS-4-04027,N#Cc1cc(-c2ncccc2F)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,PBJFIJCGGSZALR-UHFFFAOYSA-N,4,1,0.478,4,799,458.844,3.886,5,0.389,0.64,1.0,0.7295593173874306,0.7770457816462203,0.7715029812898362,0.79974813241039,0.7694640531834692
EOS-4-04028,N#Cc1cc(F)c(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cccnn1,MUNCXUOZYGXRDK-UHFFFAOYSA-N,4,1,0.447,72,208,459.832,3.281,5,0.388,0.6,1.0,0.7650435199780686,0.8679922554999657,0.6754848879446234,0.7035672674936605,0.7530219827290796
EOS-4-04029,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)c1,WVUFNURIOJEKNU-UHFFFAOYSA-N,4,1,0.61,24,912,433.834,4.015,5,0.413,0.66,1.0,0.572827427866493,0.6518830100747036,0.717428551847029,0.7595264203961346,0.67541635254609
EOS-4-04030,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)ncc1Cl,ZEZVIFSWJMETIY-UHFFFAOYSA-N,4,1,0.571,90,281,405.22,3.649,4,0.472,0.68,1.0,0.8718045370433829,0.9546638338701939,0.7891679802618052,0.8568552532382976,0.8681229011034199
EOS-4-04031,NC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cccc(C(F)F)n5)c4)n23)cc1F,LALSGJMSEGANBT-UHFFFAOYSA-N,4,1,0.333,96,246,450.384,3.215,5,0.44,0.75,0.957,0.02548660132958673,0.19456342951134262,0.7482951819614831,0.6692310328284559,0.40939406140771706
EOS-4-04032,Fc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4cccnc4F)c3)n12,AXKCOBZJTKTONW-UHFFFAOYSA-N,4,1,0.484,35,778,432.394,2.938,5,0.377,0.61,1.0,0.7353077239394147,0.7333801658556645,0.6028630662737304,0.5960095264203962,0.6668901206223014
EOS-4-04033,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3cnccc3Cl)n12,WCLZJKSGBJOWLF-UHFFFAOYSA-N,4,1,0.524,35,143,452.902,4.724,5,0.347,0.7,1.0,0.8281646220272771,0.8709050099376328,0.6917706120211089,0.7414930436570488,0.7830833219107669
EOS-4-04034,Fc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)cnc1Cl,HRTOQRUVQSITSI-UHFFFAOYSA-N,4,1,0.477,24,486,474.308,4.73,5,0.34,0.57,0.998,0.7850044548009046,0.747087245562333,0.7667911726406689,0.8106366938523748,0.7773798917140703
EOS-4-04035,Fc1ccc(Cl)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4F)n23)c1,ZNVIHQRWHXLJSA-UHFFFAOYSA-N,4,1,0.473,47,223,440.801,3.482,5,0.417,0.6,1.0,0.8097971352203414,0.8398156397779453,0.7280258378452471,0.7793245836474539,0.7892407991227469
EOS-4-04036,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F)N1CCCC1,IWSUOWVIRITTHU-UHFFFAOYSA-N,4,1,0.409,0,21,421.863,4.487,5,0.489,0.92,1.0,0.29419676512918924,0.48704680967719827,0.0902439860187787,0.4585103831128778,0.332499485984511
EOS-4-04037,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3Cl)n12,YFYAZZCZKQETCG-UHFFFAOYSA-N,4,1,0.524,35,143,452.902,4.724,5,0.347,0.71,1.0,0.8559471592077308,0.8895809060379686,0.6386642450825851,0.6841460489342746,0.7670845898156398
EOS-4-04039,Cc1nnc(-c2ccc(-c3nnc4cncc(CNc5ccc(F)c(F)c5)n34)cc2F)s1,ARVVKCIPVOCKHF-UHFFFAOYSA-N,4,1,0.347,45,471,453.453,4.648,5,0.417,0.78,1.0,0.25365807689671716,0.3639229662120485,0.7409618943184154,0.7439089164553492,0.5256129634706326
EOS-4-04040,OCC(O)Cc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1,BSHGWNQHAGUDPM-UHFFFAOYSA-N,4,1,0.537,90,555,411.849,2.314,4,0.449,0.54,0.999,0.8606589678568981,0.8592882598862313,0.8520920430402302,0.8019155643890069,0.8434887087930916
EOS-4-04041,COc1cnc(-c2cc(-c3nnc4cncc(OCc5nc(C#N)ncc5F)n34)ccc2F)nc1,XIQHLQJCFGRHSW-UHFFFAOYSA-N,4,1,0.432,73,82,473.403,2.776,5,0.362,0.7,1.0,0.9148619011719553,0.8791720923857173,0.48931704475361526,0.41104961962853814,0.6736001644849565
EOS-4-04042,Cn1nnnc1-c1cncc(COc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)c1,LDWSHMYYXHSTIF-UHFFFAOYSA-N,4,1,0.523,92,728,454.376,2.37,5,0.394,0.69,1.0,0.5644918100198753,0.5558820505791241,0.6532023164964704,0.48604447947364815,0.5649051641422795
EOS-4-04043,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4F)n23)c1,LLQZZNQBMUPKIY-UHFFFAOYSA-N,4,1,0.467,34,712,424.346,2.968,5,0.432,0.66,1.0,0.6156791857994655,0.6858680008224248,0.7913439791652388,0.7906843259543554,0.7208938729353711
EOS-4-04044,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)cc3F)n12,VGLJYYHMQLVSIS-UHFFFAOYSA-N,4,1,0.58,35,161,436.447,4.21,5,0.397,0.7,1.0,0.7877630045918717,0.7980947159207731,0.8142005345761085,0.8082722226029745,0.8020826194229319
EOS-4-04045,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2F)ncc1F,QROSMMBIVCTAAO-UHFFFAOYSA-N,4,1,0.595,35,325,445.433,3.851,5,0.392,0.73,1.0,0.9529761496813104,0.9016345692550202,0.6386728120074018,0.5868686176410116,0.770038037146186
EOS-4-04046,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)ccn1,QMGXUSYSKZFCQZ-UHFFFAOYSA-N,4,1,0.595,11,595,452.902,4.724,5,0.347,0.65,1.0,0.9120005482831882,0.9220838187924063,0.7829997943938044,0.8019241313138236,0.8547520731958056
EOS-4-04047,OCc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4F)n23)cn1,HDMGTNISPIJFBR-UHFFFAOYSA-N,4,1,0.511,73,775,448.393,2.388,5,0.39,0.66,1.0,0.762199300938935,0.646922760605853,0.4615944760468782,0.40423034747447056,0.5687367212665342
EOS-4-04048,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5nncs5)c(F)c4)n23)n1,YUJAGLXYHGUZLV-UHFFFAOYSA-N,4,1,0.467,73,526,442.386,3.096,5,0.383,0.62,1.0,0.7850130217257213,0.7899647042697553,0.5307209923925708,0.5421835377972722,0.6619705640463299
EOS-4-04049,NCc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,HAORSLXIGZVLMY-UHFFFAOYSA-N,4,1,0.811,48,231,397.841,3.664,4,0.537,0.82,1.0,0.9707782194503461,0.887019395517785,0.8907717085874854,0.9005979713522034,0.912291823726955
EOS-4-04050,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ccc2F)c1,LOIFPGXBYJOIKO-UHFFFAOYSA-N,4,1,0.512,73,772,453.84,4.097,5,0.398,0.65,1.0,0.8961945719964362,0.8362175313549448,0.8956634226578027,0.8884586388869852,0.8791335412240422
EOS-4-04051,O=C(c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1)N1CCCC1,YEICHONQLULBIE-UHFFFAOYSA-N,4,1,0.584,0,21,435.434,4.296,5,0.468,0.91,1.0,0.32737646494414363,0.33476972106092795,0.17946850798437394,0.4173891439928723,0.31475095949557946
EOS-4-04052,Cc1nc(C)c(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)cc1F,PMOFHPBMASZQNY-UHFFFAOYSA-N,4,1,0.299,50,914,432.394,3.726,5,0.423,0.69,0.991,0.517459392776369,0.6088427797957645,0.4289202247961072,0.35369405798094716,0.47722911383729694
EOS-4-04053,Cc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1cccnn1,PTSXXGCUZFDKJZ-UHFFFAOYSA-N,4,1,0.489,72,214,447.861,4.323,5,0.37,0.65,1.0,0.8582687958330477,0.7728308546364198,0.7978548420259064,0.7720169967788363,0.8002428723185525
EOS-4-04054,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)c(F)c3)n12,ZDKXFNKREJOKTL-UHFFFAOYSA-N,4,1,0.62,35,161,436.447,4.21,5,0.397,0.68,1.0,0.7934343088205058,0.777054348571037,0.8233243095058598,0.8171218559385923,0.8027337057089987
EOS-4-04055,Cc1nccc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nc2)n1,HMUOVMHCSAVVOV-UHFFFAOYSA-N,4,1,0.386,13,412,440.854,4.269,5,0.407,0.75,1.0,0.8281731889520938,0.8764735110684668,0.7382033445274484,0.6927643752998424,0.7839036049619628
EOS-4-04056,Fc1ccc(COc2cncc3nnc(-c4cncc(Br)c4)n23)nc1-c1cncnc1,RFWVQGOTTADFIM-UHFFFAOYSA-N,4,1,0.489,2,817,479.273,3.519,5,0.377,0.72,1.0,0.5930282365841958,0.6273644712494003,0.5341563292440545,0.532134534987321,0.5716708930162429
EOS-4-04057,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5nc(Cl)ncc5F)n34)cn2)cn1,CHOQDWRXHUVUEJ-UHFFFAOYSA-N,4,1,0.37,7,85,435.81,3.327,5,0.392,0.76,1.0,0.7705948872592694,0.7770629154958536,0.3220392707833596,0.29682681104790626,0.5416309711465972
EOS-4-04058,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cc2F)nn1,ZRZZVMMNQQWRON-UHFFFAOYSA-N,4,1,0.535,4,712,450.384,3.343,5,0.376,0.62,1.0,0.7353162908642313,0.8178072099239257,0.6386813789322184,0.6318107052292509,0.7059038962374066
EOS-4-04059,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(COc3nc(Cl)ncc3Cl)n12,WGIGXKICQSTLLE-UHFFFAOYSA-N,4,1,0.359,73,767,474.308,4.73,5,0.34,0.68,1.0,0.6716126379274896,0.7240679185799466,0.6060328284558975,0.6663182783907888,0.6670079158385307
EOS-4-04060,Clc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,VYLIDCDBTBGWCW-UHFFFAOYSA-N,4,1,0.578,72,386,430.859,3.313,5,0.404,0.7,1.0,0.8447416215475293,0.9338119388664246,0.4860787471729148,0.5321431019121377,0.6991938523747516
EOS-4-04061,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cccnn5)n4)n23)ccc1Cl,JUZATODDRJYRBM-UHFFFAOYSA-N,4,1,0.511,4,268,458.844,3.886,5,0.389,0.68,0.904,0.8124271811390583,0.9324155301213076,0.7830083613186211,0.8041086971420739,0.8329899424302651
EOS-4-04062,O=C(c1ccc(-c2cncc3nnc(-c4cnc(Cl)c(F)c4)n23)cc1F)N1CCCC1,JQNIRYIGAGCARV-UHFFFAOYSA-N,4,1,0.351,0,21,440.841,4.021,5,0.45,0.86,0.97,0.17358303063532315,0.33974710437941197,0.09463025152491261,0.43331505722705776,0.26031886094167633
EOS-4-04065,Cc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1-c1cscn1,DWEADVVAGAVXJT-UHFFFAOYSA-N,4,1,0.455,59,445,454.437,4.615,5,0.361,0.69,0.976,0.732412103351381,0.7056747309985607,0.8563840723733809,0.8289356452607772,0.780851637996025
EOS-4-04066,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)c4)n23)nc1,HYXJCPKLTCYFLK-UHFFFAOYSA-N,4,1,0.433,68,457,429.362,2.539,4,0.52,0.79,1.0,0.662523130697005,0.45174251250771025,0.8214395860461928,0.5483260228908231,0.6210078130354328
EOS-4-04067,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cccnc1F,FSGAHGHAJAUIRP-UHFFFAOYSA-N,4,1,0.547,35,103,442.454,4.018,5,0.352,0.73,1.0,0.930676444383524,0.8433537797272291,0.7228342814063464,0.6080974573367144,0.7762404907134535
EOS-4-04068,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1ccsc1,LVEGMFWILUGYNG-UHFFFAOYSA-N,4,1,0.494,97,103,467.913,5.295,5,0.316,0.63,1.0,0.9430984853676924,0.821850798437393,0.8907802755123021,0.8501987526557467,0.8764820779932836
EOS-4-04069,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccccc6)cc5)n34)nc2)cn1,YTEYXRIEYBERNH-UHFFFAOYSA-N,4,1,0.426,93,651,445.461,5.116,6,0.375,0.77,1.0,0.31986327187992597,0.4251422109519567,0.7783907888424371,0.7997566993352067,0.5807882427523816
EOS-4-04070,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)cc1Cl,AOZSEDFSKTVFOE-UHFFFAOYSA-N,4,1,0.595,90,133,444.829,3.099,4,0.491,0.84,1.0,0.7589867041326845,0.6088513467205812,0.7253872250017134,0.7009286546501268,0.6985384826262765
EOS-4-04071,COc1ccc(F)cc1Oc1cncc2nnc(-c3cc(-c4ccccn4)ccn3)n12,NWIMYRMQWBPJMF-UHFFFAOYSA-N,4,1,0.424,13,692,414.4,4.188,5,0.426,0.77,1.0,0.704766636967994,0.5608765677472415,0.6970735384826263,0.6112243848947981,0.643485282023165
EOS-4-04072,Cc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccnc(C(F)F)c3)n12,PGQWYNPBLNOGPK-UHFFFAOYSA-N,4,1,0.461,24,805,445.433,4.468,5,0.381,0.69,0.997,0.7622078678637516,0.6518915769995203,0.7203584401343294,0.5988537454595299,0.6833279076142827
EOS-4-04073,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nc4)n23)cc1,DHEYXEUONIGRAD-UHFFFAOYSA-N,4,1,0.395,66,688,424.386,3.764,5,0.539,0.91,1.0,0.36503666643821536,0.3397556713042286,0.8340843670755945,0.7568878075526009,0.5739411280926598
EOS-4-04074,Cc1nnc(-c2cnc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c(F)c2)s1,RGVJXBZWQMLRLO-UHFFFAOYSA-N,4,1,0.585,72,996,471.424,4.546,5,0.356,0.82,1.0,0.8255003084092934,0.9085395106572545,0.707216777465561,0.6464601466657529,0.7719291857994655
EOS-4-04075,Cc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)ccc1-c1cscn1,GTCABTPQHHTKSA-UHFFFAOYSA-N,4,1,0.461,59,445,454.437,4.615,5,0.361,0.62,0.755,0.7108662874374615,0.7056832979233775,0.8453156055102461,0.8190751147967925,0.7702350764169694
EOS-4-04076,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)ccc1-c1ccsc1,UEAVXROBTKMAEN-UHFFFAOYSA-N,4,1,0.72,91,955,446.507,5.289,5,0.34,0.69,1.0,0.9545781646220273,0.8870279624426016,0.8638115961894318,0.8062161606469742,0.8779084709752587
EOS-4-04077,Cc1cnnc(-c2ccc(Cl)c(-c3nnc4cncc(OCc5ccccc5F)n34)c2)n1,VACRSHRJVVHQML-UHFFFAOYSA-N,4,1,0.518,43,521,447.861,4.323,5,0.396,0.77,1.0,0.8582773627578645,0.9065605510246042,0.7124083339044617,0.7568963744774175,0.808535655541087
EOS-4-04078,COc1cc(-c2nnc3cncc(OCc4c(F)ccnc4Cl)n23)ccc1-c1ccsc1,SGPBWCSNJBZPQG-UHFFFAOYSA-N,4,1,0.483,97,103,467.913,5.295,5,0.316,0.67,1.0,0.929545610307724,0.8294496607497772,0.872344253306833,0.842916866561579,0.8685640977314784
EOS-4-04079,Fc1ccc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)cc1-c1nc[nH]n1,BOJXZMLYVUYHHR-UHFFFAOYSA-N,4,1,0.467,47,164,424.346,2.968,5,0.462,0.6,1.0,0.7622164347885683,0.7856898087862381,0.7552772256870673,0.7569049414022343,0.765022102666027
EOS-4-04080,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)c1,KNLZEPSGSLQAER-UHFFFAOYSA-N,4,1,0.518,35,143,452.902,4.724,5,0.347,0.6,1.0,0.8494962648207799,0.8972226029744363,0.6642622164347886,0.7174114179973956,0.7820981255568501
EOS-4-04081,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,KPXKMXZMOBVDFT-UHFFFAOYSA-N,4,1,0.494,11,0,470.892,4.863,5,0.352,0.69,1.0,0.8606675347817148,0.8924765266260023,0.8058991844287574,0.844904393119046,0.85098690973888
EOS-4-04082,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(O)(F)F)nc4)n23)cc1F,XTFUJLZEBJPPTA-UHFFFAOYSA-N,4,1,0.352,0,688,440.385,2.926,5,0.495,0.88,1.0,0.40319374957165377,0.47829141251456375,0.8323881159618943,0.7975978342814063,0.6278677780823796
EOS-4-04083,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,KPSLMQBBGQVCMV-UHFFFAOYSA-N,4,1,0.506,37,832,439.357,3.275,5,0.397,0.67,1.0,0.8425227880200123,0.7770714824206703,0.6996778836268933,0.7009372215749434,0.7550523439106298
EOS-4-04084,Fc1cnc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1Cl,CWRCXNLYOMXRFH-UHFFFAOYSA-N,4,1,0.571,90,281,405.22,3.649,4,0.472,0.7,1.0,0.8672554999657323,0.9536015351929271,0.7913525460900556,0.8587057089986978,0.8677288225618531
EOS-4-04085,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)c(F)c4)n23)ccn1,WJBJHEYDCSUXFP-UHFFFAOYSA-N,4,1,0.595,11,595,436.447,4.21,5,0.371,0.69,1.0,0.9162069083681722,0.8844064834487012,0.7830169282434377,0.7647265437598519,0.8370892159550407
EOS-4-04086,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3F)n12,HSCHJTPGNPQZCA-UHFFFAOYSA-N,4,1,0.56,35,0,436.447,4.21,5,0.397,0.72,1.0,0.8471317935713796,0.8622267150983483,0.7783993557672538,0.7696867932287026,0.814361164416421
EOS-4-04087,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4cccnc4)nc3F)n12,BJPNQQZZCASLGE-UHFFFAOYSA-N,4,1,0.495,11,699,431.406,3.543,5,0.38,0.69,1.0,0.7877715715166884,0.8560927969296142,0.5545199095332739,0.5711825783016928,0.6923917140703173
EOS-4-04088,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,ZRMRDNNGIZFLLB-UHFFFAOYSA-N,4,1,0.602,11,275,412.428,4.009,5,0.419,0.81,1.0,0.8835069563429512,0.9085480775820711,0.6724693304091564,0.6750993763278733,0.784905935165513
EOS-4-04089,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c(F)n2)nc1,RKEQKWNSXGAQIZ-UHFFFAOYSA-N,4,1,0.482,51,263,467.827,2.986,5,0.347,0.61,1.0,0.844750188472346,0.892485093550819,0.2560311150709341,0.33775957782194505,0.5827564937290111
EOS-4-04090,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,JSLBGXMEVPUAQA-UHFFFAOYSA-N,4,1,0.548,11,201,436.447,4.21,5,0.371,0.64,1.0,0.9295541772325406,0.9040675759029538,0.7305959152902474,0.7121855938592283,0.8191008155712425
EOS-4-04091,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,MXWUZEZXRDITKG-UHFFFAOYSA-N,4,1,0.561,35,265,452.902,4.724,5,0.371,0.59,1.0,0.9318586800082242,0.9276437529984237,0.7759663491193202,0.795438969227606,0.8577269378383935
EOS-4-04092,COc1ncc(F)cc1COc1cncc2nnc(-c3cncc(-c4ccc(F)cn4)c3)n12,MIBGEPXBQPCFJA-UHFFFAOYSA-N,4,1,0.456,2,422,447.405,3.509,5,0.39,0.64,1.0,0.7934428757453225,0.6469313275306696,0.667063600849839,0.577470701117127,0.6712271263107394
EOS-4-04093,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4Cl)n23)ccc1-c1ncon1,BOFCPVXLANOQEE-UHFFFAOYSA-N,4,1,0.524,73,82,458.24,4.261,5,0.385,0.63,1.0,0.914870468096772,0.8178157768487424,0.832396682886711,0.8716160646974163,0.8591747481324103
EOS-4-04094,N#Cc1cccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cn2)n1,LXQQQWPXUDDYSG-UHFFFAOYSA-N,4,1,0.478,24,786,442.389,3.372,5,0.381,0.69,1.0,0.7047752038928107,0.802301076005757,0.7333630320060311,0.6981615379343431,0.7346502124597354
EOS-4-04095,Fc1cnc(-c2cncc(-c3cncc4nnc(-c5cnc(-c6ccccc6)nc5)n34)c2)nc1,WJGAVZHFASDEEC-UHFFFAOYSA-N,4,1,0.37,42,106,447.437,3.906,6,0.4,0.76,1.0,0.32738503186896034,0.3397642382290453,0.42892879172092385,0.46459289973271195,0.39016774038791036
EOS-4-04096,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)cn1,OETAJERUSVXMIA-UHFFFAOYSA-N,4,1,0.542,35,143,452.902,4.724,5,0.347,0.62,1.0,0.8630063052566651,0.8924936604756357,0.6698307175656226,0.7063943526831609,0.782931258995271
EOS-4-04097,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)c(Cl)c4)n23)ccn1,BXXZPBPTYBWZEY-UHFFFAOYSA-N,4,1,0.625,35,352,452.902,4.724,5,0.347,0.62,1.0,0.867264066890549,0.8870365293674183,0.8195120279624426,0.8369714207388116,0.8526960112398053
EOS-4-04098,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3ccc4ccccc4n3)n12,NVQKLJGXVPYBII-UHFFFAOYSA-N,4,1,0.479,77,891,449.449,4.515,6,0.382,0.81,1.0,0.7108748543622782,0.8255945445822768,0.69968645055171,0.7174199849222124,0.7383939586046193
EOS-4-04099,Cc1nnc(-c2ccc(-c3nnc4cncc(OC5CCC(F)(F)CC5)n34)cc2F)s1,KDWWJYXZWZQWOW-UHFFFAOYSA-N,4,1,0.461,78,548,446.458,4.714,5,0.452,0.63,0.999,0.7080049345486944,0.8063617983688575,0.3440048660132959,0.5646717154410252,0.6057608285929683
EOS-4-04100,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,NSGLTNOCYMQIAJ-UHFFFAOYSA-N,4,1,0.548,24,56,413.416,3.404,5,0.421,0.73,1.0,0.8815965321088343,0.8791806593105339,0.537574532245905,0.5118223562470016,0.7025435199780687
EOS-4-04102,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3cnnc(-c4cscn4)c3)n12,WYVDIIIRBNGUSB-UHFFFAOYSA-N,4,1,0.402,13,724,443.826,4.429,5,0.406,0.58,1.0,0.6268418888355836,0.6808734836543074,0.7852186279213214,0.8210797752038929,0.7285034439037762
EOS-4-04103,COc1cc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cn4)n23)ccc1-c1ccsc1,VORWKJMALHCUDS-UHFFFAOYSA-N,4,1,0.57,27,83,499.474,5.401,5,0.296,0.63,1.0,0.7764203961346036,0.8178243437735591,0.9692019052840792,0.9028596395038038,0.8665765711740114
EOS-4-04104,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)s1,RVSJEVJOZHDGGJ-UHFFFAOYSA-N,4,1,0.58,4,31,427.461,4.834,5,0.402,0.75,1.0,0.7934514426701391,0.8362260982797615,0.7530069906106504,0.7466588993214995,0.7823358577205126
EOS-4-04105,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1ccsc1,QIBAIQNIDCHVQK-UHFFFAOYSA-N,4,1,0.477,97,103,467.913,5.295,5,0.316,0.63,1.0,0.9318672469330409,0.8531629086423137,0.8944212185593859,0.8587142759235145,0.8845414125145639
EOS-4-04106,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,AQCINSNSZJNECB-UHFFFAOYSA-N,4,1,0.814,91,883,433.924,5.19,5,0.368,0.77,1.0,0.9229833458981564,0.945043177301076,0.7784079226920705,0.8106452607771915,0.8642699266671235
EOS-4-04107,CNC(=O)c1ccc(-c2nnc3cncc(C(=O)c4ccc(C(F)F)cn4)n23)cc1F,AUHIGYUOHQRPNX-UHFFFAOYSA-N,4,1,0.426,66,225,426.358,2.854,4,0.493,0.8,1.0,0.42110718936330616,0.49653039544924954,0.7457850729901995,0.6520457816462203,0.5788671098622439
EOS-4-04108,Cc1nc(-c2cccnc2)cc(-c2cncc3nnc(-c4ccncc4-c4cccc(F)c4)n23)n1,MEAJEBONJGJPFS-UHFFFAOYSA-N,4,1,0.349,32,20,460.476,4.82,6,0.372,0.67,1.0,0.2885168939757385,0.34484442464532933,0.6386899458570352,0.6663268453156055,0.4845945274484271
EOS-4-04109,N#Cc1ccc(-c2nnc3cncc(Cc4ccc(C(=O)OCc5ccc(F)cc5)nc4)n23)cn1,QCXNBCJYCCMOFA-UHFFFAOYSA-N,4,1,0.375,14,319,465.448,3.54,5,0.349,0.84,0.999,0.3858628606675348,0.46056644506887806,0.6532108834212871,0.5808803371941608,0.5201301315879652
EOS-4-04111,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(F)cn1,FOCQAZULIYFQCD-UHFFFAOYSA-N,4,1,0.566,11,201,436.447,4.21,5,0.371,0.64,1.0,0.912009115208005,0.8870450962922349,0.7667997395654855,0.7415016105818656,0.8268388904118977
EOS-4-04112,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)nnc1Cl,BORBWQGSZIIJJQ-UHFFFAOYSA-N,4,1,0.461,59,332,482.306,4.977,5,0.349,0.65,1.0,0.8738091974504831,0.8949009663491193,0.8059077513535742,0.8502073195805634,0.856206308683435
EOS-4-04113,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1Cl,CSNDSRDNDHXPRJ-UHFFFAOYSA-N,4,1,0.554,11,201,452.902,4.724,5,0.347,0.6,1.0,0.9009320814200534,0.9324240970461243,0.7643752998423686,0.7767373723528203,0.8436172126653416
EOS-4-04114,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)nc1,HNHCDRFCVNAXQS-UHFFFAOYSA-N,4,1,0.448,73,196,418.367,2.896,5,0.429,0.75,1.0,0.785021588650538,0.7813292440545542,0.527439860187787,0.5385083270509218,0.6580747549859502
EOS-4-04115,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)c1,WWAIIBXQSAWWMV-UHFFFAOYSA-N,4,1,0.524,59,109,422.42,4.167,5,0.423,0.75,1.0,0.8020526351860736,0.8063703652936742,0.8161366595846755,0.8062247275717909,0.8076960969090536
EOS-4-04116,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5ccsc5)ncn4)n23)c(F)c1,PJFNUCTYDXLWSN-UHFFFAOYSA-N,4,1,0.404,13,971,408.393,4.38,5,0.439,0.71,1.0,0.6383044342402852,0.5851980673017614,0.785227194846138,0.7997652662600233,0.7021237406620519
EOS-4-04117,N#CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)cc1F,BUCGXXTYCCMVSW-UHFFFAOYSA-N,4,1,0.33,66,999,456.363,3.05,4,0.362,0.8,1.0,0.3198718388047426,0.4067147556713042,0.8669899252964156,0.756913508327051,0.5876225070248784
EOS-4-04118,Fc1cccc(COc2cncc3nnc(-c4cnc(F)c(-c5nccs5)c4)n23)c1,PJFKHKDMTNEHCK-UHFFFAOYSA-N,4,1,0.529,59,109,422.42,4.167,5,0.396,0.76,1.0,0.7850301555753547,0.7240764855047632,0.72539579192653,0.7335600712768144,0.7420156260708656
EOS-4-04119,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)nc4F)n23)nc1,DMCDDTQJTQLGJH-UHFFFAOYSA-N,4,1,0.477,51,795,432.394,2.938,5,0.377,0.69,1.0,0.7821431019121377,0.8100969775889246,0.34800561990267975,0.37336371736001644,0.5784023541909397
EOS-4-04120,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)ncc1Cl,KUHGYBHURWADJR-UHFFFAOYSA-N,4,1,0.505,11,0,470.892,4.863,5,0.352,0.67,1.0,0.8797546432732506,0.9085566445068878,0.8390531834692618,0.8603162908642313,0.871920190528408
EOS-4-04121,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1ccccn1,KCKQLADCDBQPEB-UHFFFAOYSA-N,4,1,0.528,97,383,462.872,4.628,5,0.363,0.66,1.0,0.8495048317455967,0.7856983757110547,0.7852357617709547,0.7388030292646152,0.7898104996230553
EOS-4-04122,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)cn1,FROCEQYMLAIBLD-UHFFFAOYSA-N,4,1,0.568,37,669,419.395,3.476,5,0.424,0.6,1.0,0.9371958741690083,0.8764820779932835,0.7736704132684532,0.7543005962579672,0.8354122404221781
EOS-4-04123,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1cncnc1,CSVMXPZPPVSPMP-UHFFFAOYSA-N,4,1,0.515,35,215,477.887,4.066,5,0.346,0.53,1.0,0.9162154752929889,0.8709135768624494,0.795438969227606,0.7363443218422315,0.829728085806319
EOS-4-04124,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nc(F)nc(F)n5)nc4)n23)cc1F,MVCQJGYIYRMKOF-UHFFFAOYSA-N,4,1,0.349,96,155,449.356,2.222,5,0.441,0.65,1.0,0.3395843328078953,0.3495648002193133,0.4438438078267425,0.4142879172092386,0.3868202145157974
EOS-4-04125,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cncnc5)c4)n23)cc1F,FMVVOQYXJQGWGB-UHFFFAOYSA-N,4,1,0.337,96,648,429.39,3.292,5,0.469,0.79,1.0,0.24296655472551573,0.2288996641765472,0.817747241450209,0.8062332944966075,0.5239616887122198
EOS-4-04126,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(F)c2)cnn1,IRWJNKOXKIRTIK-UHFFFAOYSA-N,4,1,0.511,37,795,432.394,2.938,5,0.403,0.68,1.0,0.7679905421150024,0.8709221437872661,0.49602494688506615,0.5153776300459187,0.6625788157083132
EOS-4-04127,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cncnc4)nc3)n12,HQWWUAIFZIZZOW-UHFFFAOYSA-N,4,1,0.511,65,904,414.404,2.799,5,0.418,0.69,1.0,0.7989085737783566,0.8467291481049962,0.5174508258515523,0.47396511548214654,0.659263415804263
EOS-4-04128,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)cc2F)n1,HDCOZYIGCHXQER-UHFFFAOYSA-N,4,1,0.518,73,980,438.373,3.276,5,0.449,0.75,1.0,0.8872335686382017,0.7770800493454869,0.7483037488862998,0.7254043588513467,0.7845054314303338
EOS-4-04129,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cc2F)n1,FFMHALBYCOPNLB-UHFFFAOYSA-N,4,1,0.511,4,712,450.384,3.343,5,0.376,0.63,1.0,0.7381262422040984,0.7981032828455897,0.6590877938455212,0.6464687135905696,0.7104465081214448
EOS-4-04131,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2Cl)n1,MPZLOMIBFQYHOJ-UHFFFAOYSA-N,4,1,0.598,43,96,435.85,4.256,5,0.443,0.72,1.0,0.8495133986704133,0.8592968268110479,0.7530155575354671,0.7838393530258378,0.8114162840106915
EOS-4-04132,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4nccc(F)c4F)n23)c1,PIWWSLBQSCIQPT-UHFFFAOYSA-N,4,1,0.577,23,627,393.275,3.461,4,0.393,0.68,1.0,0.7792132136248372,0.8561013638544308,0.9775803577547804,0.9794308135151806,0.8980814371873072
EOS-4-04133,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cccnc1F,JMAWANOBLQFRGQ-UHFFFAOYSA-N,4,1,0.553,35,103,442.454,4.018,5,0.352,0.75,1.0,0.9203532999794394,0.8294582276745939,0.7483123158111165,0.6286152422726338,0.7816847714344459
EOS-4-04134,Fc1cnc(Cl)nc1CCOc1cncc2nnc(-c3cccc(-c4ncccn4)c3)n12,JGWNPQPAZMVYFW-UHFFFAOYSA-N,4,1,0.494,15,300,448.849,3.452,5,0.364,0.58,1.0,0.8925964635734357,0.862235282023165,0.3480141868274964,0.39235658967856896,0.6238006305256666
EOS-4-04135,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)c(F)c1,ZCNLGLKHQDJKDA-UHFFFAOYSA-N,4,1,0.471,13,251,403.352,3.714,5,0.452,0.75,1.0,0.7108834212870948,0.7514221095195669,0.7643838667671853,0.767125282708519,0.7484536700705915
EOS-4-04136,Fc1cnccc1-c1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)nn1,ORTSGUXRUBFHNI-UHFFFAOYSA-N,4,1,0.416,54,411,434.822,3.41,5,0.387,0.66,0.924,0.7622250017133849,0.6711842916866562,0.6179408539510657,0.6663354122404221,0.6794213898978823
EOS-4-04137,Fc1cc(-c2cnsn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,DGHAZXNLYMPCGF-UHFFFAOYSA-N,4,1,0.528,37,832,471.88,4.258,5,0.342,0.58,1.0,0.8630148721814818,0.8895894729627852,0.7759749160441368,0.8082807895277911,0.8342150126790487
EOS-4-04138,Fc1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1nccs1,JLVBAGCLPNLKKW-UHFFFAOYSA-N,4,1,0.5,88,490,454.437,4.349,5,0.38,0.71,1.0,0.9088736207251045,0.9040761428277705,0.7643924336920019,0.7814834487012542,0.8397064114865327
EOS-4-04139,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)ccc1F,WVXMLYFJLMPJBP-UHFFFAOYSA-N,4,1,0.479,58,28,456.416,3.415,5,0.357,0.61,0.999,0.9162240422178055,0.9146477280515386,0.5709769721060928,0.5516242889452402,0.7383682578301692
EOS-4-04140,Cc1cc(-c2nc(C)c(Cc3cncc4nnc(-c5ccc(F)cc5)n34)cc2Cl)cnn1,KHKQIQTWJPPHFJ-UHFFFAOYSA-N,4,1,0.38,14,81,445.889,4.643,5,0.4,0.65,1.0,0.40109485299157016,0.5467411417997395,0.6562864094304708,0.7064029196079775,0.5776313309574395
EOS-4-04141,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)cc3)n12,QLOUVQJKNKBTIV-UHFFFAOYSA-N,4,1,0.568,72,202,413.416,3.404,5,0.394,0.75,1.0,0.9431070522925091,0.9183829072716058,0.6504951682544033,0.620382427523816,0.7830918888355837
EOS-4-04142,N=c1[nH]c(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cc2F)cs1,CPNFLCQHPLNKFA-UHFFFAOYSA-N,4,1,0.505,88,490,469.452,3.761,5,0.394,0.53,1.0,0.8853574121033514,0.7514306764443835,0.7715115482146528,0.754309163182784,0.790652199986293
EOS-4-04143,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)c(F)c1,DBNDOIPDJHWMBN-UHFFFAOYSA-N,4,1,0.478,47,164,424.346,2.968,5,0.462,0.67,1.0,0.7324206702761976,0.7285312864094304,0.7306044822150641,0.7307501199369474,0.7305766397094099
EOS-4-04144,Cc1cnc(-c2nnc3cncc(-c4cnc(OC5CC6CC5C6(F)F)c(C)c4)n23)cn1,DOIGVIHDJFWILE-UHFFFAOYSA-N,4,1,0.288,78,792,435.438,3.683,7,0.483,0.52,0.628,0.4513741347405935,0.514520937564252,0.7457936399150161,0.6663439791652388,0.5945081728462751
EOS-4-04145,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1)N1CCCC1,VYPLJWQRHUKYFY-UHFFFAOYSA-N,4,1,0.457,0,21,421.863,4.487,5,0.489,0.92,1.0,0.2968867795216229,0.3923737235282023,0.11269789596326503,0.4585189500376945,0.3151193372626962
EOS-4-04146,CC(O)c1cnc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,NNBDETXYWKQIGM-UHFFFAOYSA-N,4,1,0.612,90,281,414.828,3.049,4,0.517,0.7,1.0,0.8046141457062573,0.7427695154547324,0.7483208827359331,0.695454389692276,0.7477897333972997
EOS-4-04147,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)nc1,IIJPVLCXFLATGK-UHFFFAOYSA-N,4,1,0.556,35,795,436.447,4.21,5,0.397,0.71,1.0,0.809805702145158,0.8329792337742444,0.6060413953807141,0.652054348571037,0.7252201699677884
EOS-4-04149,O=C(NCCc1ccc(F)c(F)c1)c1ccc(-c2nnc3cncc(Br)n23)cc1,VGZARSUXQCQHDW-UHFFFAOYSA-N,4,1,0.549,23,646,458.266,3.805,4,0.494,0.82,1.0,0.392485093550819,0.3736035912548831,0.8214481529710095,0.7838479199506545,0.5928461894318415
EOS-4-04150,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccncc1,RZIFWUPDCAPFLE-UHFFFAOYSA-N,4,1,0.583,35,982,442.454,4.018,5,0.376,0.75,1.0,0.8816050990336509,0.8023096429305736,0.7715201151394695,0.6692395997532725,0.7811686142142417
EOS-4-04152,Fc1cnc(COc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)c(F)c1,IUCOCDUIKLWKNO-UHFFFAOYSA-N,4,1,0.564,23,627,393.275,3.461,4,0.393,0.71,1.0,0.817490233705709,0.8467377150298129,0.9744619971215133,0.976792200671647,0.9038705366321705
EOS-4-04153,Cn1cncc1-c1cncc(COc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)c1,GJHYATQFBBJDAR-UHFFFAOYSA-N,4,1,0.456,73,772,437.385,3.583,5,0.391,0.7,1.0,0.7262353505585635,0.6469398944554863,0.8944297854842026,0.862081077376465,0.7824215269686794
EOS-4-04154,N#Cc1cc(-c2nnc3cncc(OCc4ncnc(-c5cccnc5)n4)n23)ccc1Cl,HYKARXZRTMNMDE-UHFFFAOYSA-N,4,1,0.483,16,839,441.842,3.142,5,0.404,0.71,0.999,0.8718131039681996,0.9166523884586388,0.4860873140977315,0.5217514221095195,0.6990760571585223
EOS-4-04157,COc1cc(-c2nnc3cncc(CNCc4cc(F)cc(F)c4F)n23)ccc1-c1cncn1C,CNCFINVMEIFLPC-UHFFFAOYSA-N,4,1,0.37,14,291,479.466,3.908,5,0.357,0.79,1.0,0.504925981769584,0.5097834281406346,0.8874991433075183,0.8151343293811254,0.6793357206497156
EOS-4-04158,CC(O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)c(F)n1,AQERSMQRUWJUQK-UHFFFAOYSA-N,4,1,0.354,50,274,432.394,3.037,5,0.431,0.56,0.981,0.37669625111370025,0.4649612774998287,0.6619405798094716,0.5679956822698924,0.5178984476732232
EOS-4-04159,Cc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncc(F)cn4)c(Cl)c3)n12,OJWGNGRDMDOJHN-UHFFFAOYSA-N,4,1,0.565,35,325,461.888,4.366,5,0.371,0.68,1.0,0.9537471729148105,0.9472877116030429,0.6642707833596052,0.6605955726132547,0.8064753101226784
EOS-4-04160,Fc1cncc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)c1,VLXXPHRFADLKIN-UHFFFAOYSA-N,4,1,0.435,2,419,434.822,3.41,5,0.414,0.67,1.0,0.6716212048523063,0.7007915838530601,0.5677044068261257,0.6229782057432663,0.6407738503186896
EOS-4-04161,Cc1cc(C(F)F)nc(-c2cncc3nnc(-c4cnc(-c5ccc(F)cn5)cn4)n23)n1,GJAGIARWSKCXKT-UHFFFAOYSA-N,4,1,0.273,50,845,435.373,3.485,5,0.422,0.66,0.866,0.2774227263381537,0.4116064697416216,0.4960335138098828,0.47101809334521283,0.4140202008087177
EOS-4-04162,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(F)c4)n23)cc1F,KKLNKQBKIYFUEI-UHFFFAOYSA-N,4,1,0.387,23,682,413.815,4.14,4,0.545,0.86,1.0,0.46269960934822835,0.5947587553971626,0.8828130354328011,0.8897265437598519,0.707499485984511
EOS-4-04163,CC1(NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(F)cc5F)n34)c(F)c2)CC1,XGLIIHLCKJKKIO-UHFFFAOYSA-N,4,1,0.402,0,999,423.398,4.158,5,0.535,0.8,1.0,0.3881930642176684,0.5236618463436364,0.6861935439654582,0.8210883421287095,0.6047841991638682
EOS-4-04164,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1nccs1,HBWQSIZCQNVDQP-UHFFFAOYSA-N,4,1,0.523,11,490,454.437,4.349,5,0.38,0.64,1.0,0.920361866904256,0.897231169899253,0.7668083064903023,0.7767459392776369,0.8402868206428621
EOS-4-04166,CCOCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cn1,KMXGBGUONZLPNS-UHFFFAOYSA-N,4,1,0.792,90,948,411.412,3.623,4,0.441,0.73,1.0,0.8447587553971626,0.8709307107120828,0.7807552600918375,0.7064114865327942,0.8007140531834692
EOS-4-04167,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCc5ccc(F)nc5Cl)n34)c2)cs1,WJBJGFGISXPHAA-UHFFFAOYSA-N,4,1,0.489,59,439,470.892,5.129,5,0.331,0.75,1.0,0.7764289630594202,0.742778082379549,0.8373569323555616,0.8351038311287781,0.7979169522308273
EOS-4-04168,OCc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cccnn1,SFVSELQUQVTGHF-UHFFFAOYSA-N,4,1,0.511,35,161,443.442,2.896,5,0.409,0.62,1.0,0.8630234391062984,0.7008001507778767,0.6619491467342883,0.5988623123843465,0.7061587622507024
EOS-4-04169,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4Cl)n23)cc1F,BRDXTTBPXOHIEV-UHFFFAOYSA-N,4,1,0.354,96,648,463.925,5.339,5,0.39,0.83,1.0,0.2942053320540059,0.3831214447262011,0.8695685696662326,0.877270235076417,0.6060413953807142
EOS-4-04170,Fc1ccc(OCc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)c(F)c1,HITQBEDGDJAGKK-UHFFFAOYSA-N,4,1,0.448,14,189,422.42,4.167,5,0.423,0.7,1.0,0.4850507161949147,0.6138030292646152,0.7098039887601947,0.7009457884997601,0.6274008806798711
EOS-4-04171,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5nnc6ccccn56)cc4)n23)n1,HOIKTYFLSIYJGJ-UHFFFAOYSA-N,4,1,0.489,56,415,457.404,3.148,6,0.363,0.7,1.0,0.8229302309642931,0.6711928586114728,0.41804879720375576,0.44896682886710987,0.5902846789116579
EOS-4-04172,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)nc3Cl)n12,ZEMXCBKDXMLHAK-UHFFFAOYSA-N,4,1,0.506,35,143,448.849,3.452,5,0.364,0.67,1.0,0.8255088753341101,0.8816650675073675,0.59985607566308,0.6286238091974505,0.733913456925502
EOS-4-04173,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)cc1F,HQUKBGMDOJWGNS-UHFFFAOYSA-N,4,1,0.351,0,188,457.843,5.081,5,0.453,0.87,1.0,0.4304708381879241,0.6519001439243369,0.92482523473374,0.9509372215749434,0.7395333596052361
EOS-4-04174,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2F)n1,VJAALTDTEYKGMH-UHFFFAOYSA-N,4,1,0.571,4,71,431.406,3.809,5,0.418,0.71,1.0,0.770603454184086,0.7558854773490508,0.6862021108902748,0.6433503529573025,0.7140103488451786
EOS-4-04175,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nc(C6CC6)cnc5F)cc4)n23)nc1,HSVVIPNLZSTKFO-UHFFFAOYSA-N,4,1,0.484,89,22,464.464,4.11,6,0.369,0.7,1.0,0.6716297717771229,0.8023182098553903,0.4438523747515592,0.5083870193955178,0.6065468439448976
EOS-4-04176,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)cc2F)nc1,LCTHISGFBFRGNN-UHFFFAOYSA-N,4,1,0.511,37,141,466.839,3.591,5,0.374,0.69,1.0,0.9295627441573573,0.9396888492906587,0.5743951751079432,0.6520629154958536,0.7739274210129532
EOS-4-04177,CNC(=O)c1ccc(-c2nnc3cncc(CCc4ccc(F)c(F)c4)n23)cc1F,GMOPFAWMXZHRNM-UHFFFAOYSA-N,4,1,0.528,23,646,411.387,3.353,4,0.547,0.77,1.0,0.44878692344595983,0.5514272496744569,0.8609759440751148,0.8330734699472278,0.6735658967856899
EOS-4-04178,Cc1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1cnsc1,MPHFCNPKNYJDQY-UHFFFAOYSA-N,4,1,0.398,13,724,456.865,5.342,5,0.363,0.55,1.0,0.6044136796655473,0.6322304845452676,0.8535569871838805,0.860324857789048,0.7376315022959359
EOS-4-04179,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cocn1,PFENEJXSYUSGEH-UHFFFAOYSA-N,4,1,0.539,11,729,427.399,3.474,5,0.378,0.62,1.0,0.9449318072784594,0.8649766979644986,0.7596035227194846,0.7064200534576108,0.8189830203550134
EOS-4-04180,N#Cc1ccc(-c2nnc3cncc(CN=c4ccc(F)c[nH]4)n23)nc1Br,JQHCAWBRVYZHLK-UHFFFAOYSA-N,4,1,0.327,90,244,425.225,2.389,4,0.507,0.47,0.834,0.09824549379754643,0.15327085189500378,0.4926324446576657,0.5353128640943047,0.3198654136111302
EOS-4-04181,N#Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5cncnc5)n4)n23)ccc1Cl,HZGKLZIMFODHTD-UHFFFAOYSA-N,4,1,0.5,4,817,475.299,4.401,5,0.368,0.71,1.0,0.7443715303954492,0.8972397368240697,0.8438249605921458,0.8716246316222329,0.8392652148584744
EOS-4-04182,O=C(c1cnc(Cc2cncc3nnc(-c4ccc(F)cc4F)n23)cn1)N1CC(F)C1,ZQKXCSADZKNEAZ-UHFFFAOYSA-N,4,1,0.404,78,5,425.374,2.244,5,0.498,0.77,0.994,0.33959289973271195,0.4870553766020149,0.12984887944623397,0.33136865190871084,0.32196645192241796
EOS-4-04183,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3Cl)n12,OZQYBKMAKSDDFH-UHFFFAOYSA-N,4,1,0.541,35,143,452.902,4.724,5,0.347,0.66,1.0,0.8072955931738743,0.884415050373518,0.6917791789459256,0.7335686382016311,0.7792646151737372
EOS-4-04185,Cc1c[nH]c(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cc2F)n1,GUKOYXFPDUWTBD-UHFFFAOYSA-N,4,1,0.517,16,55,419.395,3.742,5,0.436,0.62,1.0,0.8378966486190117,0.7686673291755192,0.7852443286957713,0.7278802001233637,0.7799221266534164
EOS-4-04186,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cscn5)c4)n23)ccn1,RTAMPAYMFXRHQM-UHFFFAOYSA-N,4,1,0.59,11,595,436.447,4.21,5,0.371,0.7,1.0,0.9216212048523063,0.9065691179494209,0.7852528956205881,0.7696953601535192,0.8457846446439585
EOS-4-04187,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)cc2F)cn1,SOKKMWHYHPCULD-UHFFFAOYSA-N,4,1,0.483,16,606,445.433,4.117,5,0.402,0.6,1.0,0.8098142690699747,0.7194674799533959,0.7620707970666849,0.6692481666780893,0.7401501781920362
EOS-4-04188,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccnn5)cc4F)n23)c(F)c1Cl,QGAHUODMXWOJEI-UHFFFAOYSA-N,4,1,0.315,96,648,477.862,4.207,5,0.416,0.64,1.0,0.34209444177917897,0.43862655061339184,0.8486395723391131,0.8484168322938798,0.6194443492563909
EOS-4-04189,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)c2)cnn1,KUHBQSHEBSLPKB-UHFFFAOYSA-N,4,1,0.562,11,275,431.406,3.543,5,0.406,0.69,1.0,0.8471403604961962,0.889598039887602,0.6943064217668425,0.6896374477417586,0.7801705674730999
EOS-4-04190,Cc1nccnc1Oc1ccc(-c2cncc3nnc(-c4cnc(F)c(F)c4)n23)nc1,GWBYKMURBFAUTD-UHFFFAOYSA-N,4,1,0.311,50,914,418.367,3.417,5,0.409,0.84,0.62,0.5174679597011856,0.6088599136453978,0.520603454184086,0.455306353231444,0.5255594201905284
EOS-4-04191,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)c(F)c4)n23)ccn1,BRYCJHZEIKCTFQ-UHFFFAOYSA-N,4,1,0.625,35,352,436.447,4.21,5,0.371,0.66,1.0,0.84952196559523,0.8140120622301419,0.8177558083750257,0.8041172640668905,0.821351775066822
EOS-4-04192,Clc1cnc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5ncccn5)c4)n23)nc1,HREXLBVBLWPNJC-UHFFFAOYSA-N,4,1,0.53,73,795,465.304,3.967,5,0.371,0.62,1.0,0.9419847851415256,0.9514855047632101,0.37442601603728326,0.495202522102666,0.6907747070111713
EOS-4-04193,Cn1ccc(-c2ccc(-c3nnc4cncc(CNCc5cc(F)cc(F)c5F)n34)cc2F)n1,MLPYMLLMWBACRJ-UHFFFAOYSA-N,4,1,0.355,45,291,467.43,4.038,5,0.302,0.8,1.0,0.36274073058734835,0.47829997943938046,0.934600095949558,0.9238743060790898,0.6748787780138441
EOS-4-04194,N#Cc1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)cc1F,NHJYRQFGMSXKNQ-UHFFFAOYSA-N,4,1,0.333,96,581,412.363,3.46,5,0.447,0.7,1.0,0.2914039476389555,0.4386351175382085,0.8161452265094922,0.8785809745733671,0.6061913165650058
EOS-4-04195,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,SLRKBAOWKYHITO-UHFFFAOYSA-N,4,1,0.532,24,912,438.875,4.681,5,0.396,0.73,1.0,0.7989171407031732,0.7686758961003358,0.7333715989308478,0.7743900349530533,0.7688386676718526
EOS-4-04196,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cc[nH]n1,IKKCEJQXBWYHGF-UHFFFAOYSA-N,4,1,0.539,37,619,435.85,3.99,5,0.433,0.64,1.0,0.9408967856898088,0.9016431361798369,0.7715286820642862,0.8019326982386402,0.854000325543143
EOS-4-04197,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,ULRGNFNSEPPSIU-UHFFFAOYSA-N,4,1,0.541,35,143,452.902,4.724,5,0.347,0.72,1.0,0.812435748063875,0.8734750873826331,0.697082105407443,0.7388115961894318,0.7804511342608457
EOS-4-04199,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,VXSOSSIEMLJDIH-UHFFFAOYSA-N,4,1,0.553,11,141,451.914,5.329,5,0.349,0.65,1.0,0.9088821876499212,0.922092385717223,0.8288499760126106,0.8635631553697485,0.8808469261873759
EOS-4-04200,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cccc(F)n1,RCEKVQBEUKLXQT-UHFFFAOYSA-N,4,1,0.545,11,777,442.454,4.018,5,0.352,0.78,1.0,0.937204441093825,0.8101055445137414,0.67549345486944,0.568004249194709,0.7477019224179288
EOS-4-04202,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)c(F)n2)nc1,IGNATCUGWNOIFK-UHFFFAOYSA-N,4,1,0.458,73,263,467.827,2.986,5,0.274,0.63,1.0,0.8650623672126654,0.9040847097525873,0.3108937015968748,0.3601620862175314,0.6100507161949147
EOS-4-04204,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(CC(F)(F)F)nn4)n23)cc1,BSCMITCAKJNGNG-UHFFFAOYSA-N,4,1,0.517,66,12,443.389,2.625,4,0.488,0.75,1.0,0.647102666027003,0.5010023302035501,0.7148584744020287,0.4920670276197656,0.5887576245630869
EOS-4-04205,CC(C)(N)c1ccc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cn1,KYJMKNAVQMMNKC-UHFFFAOYSA-N,4,1,0.612,90,636,419.876,3.484,4,0.526,0.79,1.0,0.7262439174833801,0.6858765677472415,0.8340929340004112,0.6810533890754574,0.7318167020766226
EOS-4-04207,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4)n23)c(F)c1F,UCMDQOUZCOCNSI-UHFFFAOYSA-N,4,1,0.313,96,648,459.416,3.678,5,0.427,0.83,1.0,0.5356212733877047,0.5190614077170859,0.6834264272496745,0.5615019532588582,0.5749027654033309
EOS-4-04208,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1)N1CCC(F)(F)CC1,RVWJBXKJYUQXFX-UHFFFAOYSA-N,4,1,0.444,0,345,468.895,4.302,5,0.446,0.85,0.999,0.29421389897882255,0.36892605030498254,0.14184257418956892,0.4679340004112124,0.3182291309711466
EOS-4-04209,COc1ncc(-c2nnc3cncc(OCc4cc(F)ncc4F)n23)cc1-c1ccccn1,BTUURSRWTCUHJE-UHFFFAOYSA-N,4,1,0.412,55,109,447.405,3.509,5,0.365,0.57,1.0,0.7905301213076554,0.6519087108491536,0.672477897333973,0.564680282365842,0.669899252964156
EOS-4-04210,Cc1nn(C(F)F)cc1COc1cncc2nnc(-c3ccc(-c4ncno4)c(F)c3)n12,CKUSMEABWOKZLU-UHFFFAOYSA-N,4,1,0.478,16,610,442.361,3.459,5,0.393,0.62,1.0,0.5174765266260023,0.5947673223219793,0.6619577136591049,0.5516328558700568,0.5814586046192858
EOS-4-04211,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccnc(Cl)n5)nc4)n23)cc1F,PIERHVXYNCLIMM-UHFFFAOYSA-N,4,1,0.35,96,648,462.832,3.327,5,0.393,0.76,1.0,0.570274484271126,0.5281337810979371,0.5677129737509423,0.4920755945445823,0.539549208416147
EOS-4-04212,O=C(c1cccc(Cc2cncc3nnc(-c4ccc(C(F)F)cc4)n23)c1)N1CCC(F)(F)CC1,NHWGUTKZIMUWPY-UHFFFAOYSA-N,4,1,0.418,0,345,483.469,5.191,5,0.367,0.8,0.999,0.2511908025495168,0.24426872729764923,0.6179494208758823,0.7906928928791721,0.47602546090055514
EOS-4-04213,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cnco1,SLOYDYLDWYIJPY-UHFFFAOYSA-N,4,1,0.6,97,103,417.4,4.173,5,0.41,0.73,1.0,0.9515626070865603,0.7728394215612364,0.8288585429374272,0.7335772051264479,0.8217094441779179
EOS-4-04214,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1F,KUGHGMHQIKDYRS-UHFFFAOYSA-N,4,1,0.402,0,188,442.281,4.796,5,0.493,0.87,1.0,0.3767048180385169,0.585206634226578,0.766816873415119,0.9086337468302378,0.6593405181276129
EOS-4-04215,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)n1,WREIELBGHMJHQG-UHFFFAOYSA-N,4,1,0.483,73,82,426.318,2.628,5,0.391,0.72,1.0,0.8202487834966761,0.7380662737303817,0.547734905078473,0.5353214310191213,0.6603428483311631
EOS-4-04216,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccccc3F)n12,RVGVATWOWVHUCP-UHFFFAOYSA-N,4,1,0.691,11,660,442.479,4.547,5,0.383,0.72,1.0,0.9104499348913714,0.9183914741964224,0.7913611130148722,0.7767545062024536,0.8492392570762799
EOS-4-04217,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)cc1F,KOZFCMRXFSTAGJ-UHFFFAOYSA-N,4,1,0.524,16,353,437.385,3.583,5,0.391,0.65,1.0,0.9026026317593037,0.810114111438558,0.8250376944691933,0.7814920156260708,0.8298116133232815
EOS-4-04218,Fc1cc(F)cc(NCc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c1,NKKABKMJGVZVIO-UHFFFAOYSA-N,4,1,0.404,14,291,420.448,4.805,5,0.442,0.85,1.0,0.2017253786580769,0.127655746693167,0.8059163182783908,0.8106538277020081,0.48648781783291073
EOS-4-04219,O=C(c1cnc(Cc2cncc3nnc(-c4ccc(F)cc4F)n23)cn1)N1CCC(F)(F)C1,OAWTZEMLFIFUAK-UHFFFAOYSA-N,4,1,0.411,78,345,457.391,2.932,5,0.438,0.77,0.996,0.21012953190322803,0.3157682818175588,0.18593653622095813,0.46794256733602907,0.29494422931944353
EOS-4-04220,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1F,OPUMVEZAVXVMGH-UHFFFAOYSA-N,4,1,0.554,11,201,436.447,4.21,5,0.371,0.58,1.0,0.8835155232677678,0.8925022274004524,0.7644010006168186,0.7307586868617642,0.8177943595367008
EOS-4-04221,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)ccc1F,QYDLCCLEAUUPCC-UHFFFAOYSA-N,4,1,0.511,75,420,425.387,2.628,5,0.417,0.64,1.0,0.7047837708176273,0.6908453841409088,0.4180573641285724,0.3636059899938318,0.5443231272702351
EOS-4-04222,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5F)n34)cn2)cn1,LTTQNIDBYLZHEH-UHFFFAOYSA-N,4,1,0.456,55,564,432.394,3.204,5,0.417,0.61,1.0,0.8281817558769105,0.7194760468782126,0.6294462339798506,0.5550424919470907,0.6830366321705161
EOS-4-04223,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cc2F)ccn1,JUILTNYZWPKDBJ-UHFFFAOYSA-N,4,1,0.528,11,275,444.445,4.456,5,0.385,0.73,1.0,0.8606761017065314,0.8972483037488863,0.7954475361524227,0.769703927078336,0.8307689671715441
EOS-4-04224,CNC(=O)c1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1Cl,PSINZITVQDBINM-UHFFFAOYSA-N,4,1,0.74,48,378,425.851,3.565,4,0.51,0.84,1.0,0.8835240901925845,0.7470958124871496,0.7434891371393325,0.7307672537865808,0.7762190734014118
EOS-4-04225,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1nccs1,QJBIMZBIAUWHMD-UHFFFAOYSA-N,4,1,0.5,1,383,467.913,5.295,5,0.337,0.76,1.0,0.9431156192173258,0.8816736344321843,0.8486481392639298,0.815142896305942,0.8721450723048455
EOS-4-04226,N#Cc1ccnc(OCc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)c1,WRWHUYRHRTWIRB-UHFFFAOYSA-N,4,1,0.343,24,28,424.399,3.233,5,0.395,0.71,1.0,0.5673017613597423,0.6519172777739702,0.5804776917277774,0.5385168939757384,0.5845534062093071
EOS-4-04227,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccnc5F)n34)cc2)o1,LRDNJFVFXDMQTC-UHFFFAOYSA-N,4,1,0.518,97,91,420.379,4.007,5,0.397,0.7,1.0,0.95002056061956,0.7981118497704064,0.7830254951682544,0.7064286203824275,0.809396631485162
EOS-4-04228,N#Cc1cc(-c2nnc3cncc(OCc4cnnc(-c5cncnn5)c4)n23)ccc1Cl,AEPWWGMFBYHKIM-UHFFFAOYSA-N,4,1,0.489,53,659,442.83,2.537,5,0.398,0.62,0.936,0.8303406209307107,0.9065776848742375,0.5442310328284559,0.5774792680419437,0.7146571516688369
EOS-4-04229,Fc1ccc(-c2cccnn2)cc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,YAVJSQIUWSAARZ-UHFFFAOYSA-N,4,1,0.462,72,820,434.822,3.41,5,0.414,0.73,1.0,0.6867932287026249,0.8063789322184909,0.5744037420327599,0.6286323761222672,0.6740520697690358
EOS-4-04230,CCn1nc(-c2cccnc2)nc1-c1cncc2nnc(-c3ccc(C)c(C(F)(F)F)c3)n12,DAMZYRVZXFAONR-UHFFFAOYSA-N,4,1,0.318,50,542,450.428,4.459,5,0.402,0.68,1.0,0.19910389966417655,0.31577684874237544,0.7306130491398808,0.6548043314371873,0.475074532245905
EOS-4-04231,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ccc(C(F)(F)F)nn1,NSFUPEAWOAFJCB-UHFFFAOYSA-N,4,1,0.511,20,846,494.437,3.687,5,0.334,0.6,1.0,0.767999109039819,0.759903365088068,0.8123929134397917,0.5930710712082791,0.7333416146939894
EOS-4-04232,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nnc[nH]4)cc3Cl)n12,AEJZHEDRIGYKRS-UHFFFAOYSA-N,4,1,0.539,37,832,436.838,3.385,5,0.406,0.65,1.0,0.8229387978891097,0.8498903433623467,0.6148995956411486,0.654812898362004,0.7356354088136523
EOS-4-04233,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)ncc1F,QYSZCSXGAWQKKC-UHFFFAOYSA-N,4,1,0.535,59,109,431.406,3.809,5,0.418,0.75,1.0,0.8945925570557193,0.8218593653622096,0.6238862997738331,0.6048762936056473,0.7363036289493523
EOS-4-04235,FC(F)c1cc(COc2cncc3nnc(-c4cc(-c5ccnnc5)cnn4)n23)ccn1,FTOZPTJOAKFPHD-UHFFFAOYSA-N,4,1,0.396,53,182,433.382,2.95,5,0.398,0.61,1.0,0.5728359947913098,0.4694246453293126,0.6698392844904393,0.5711911452265095,0.5708227674593929
EOS-4-04236,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(C(F)c3ccc(Br)cn3)n12,MSMPFGCHJVZSKU-UHFFFAOYSA-N,4,1,0.346,14,487,486.305,4.665,5,0.368,0.6,1.0,0.22666369679939688,0.37836680145295043,0.8595538345555479,0.8519978068672469,0.5791455349187855
EOS-4-04237,FC(F)n1ncc(-c2ccc(-c3nnc4cncc(-c5ccc(Cl)nn5)n34)cc2)n1,VDVUEWZINYWDQV-UHFFFAOYSA-N,4,1,0.329,22,63,425.79,3.555,5,0.434,0.67,0.999,0.24034507573161537,0.43864368446302515,0.5408128298266054,0.5774878349667604,0.44932235624700156
EOS-4-04238,N#Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)n1,DABBAJDYQCXLOM-UHFFFAOYSA-N,4,1,0.547,4,71,463.885,4.553,5,0.376,0.69,1.0,0.6926101706531423,0.8467462819546295,0.8268881502295936,0.8390960180933452,0.8013351552326776
EOS-4-04239,FCc1nc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)ccc1F,LXYIIVNSVVTSRE-UHFFFAOYSA-N,4,1,0.511,4,712,455.812,4.077,5,0.377,0.62,1.0,0.7203413062846961,0.789973271194572,0.6642793502844219,0.6810619560002742,0.7139139709409911
EOS-4-04240,Fc1nccc(CCOc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)c1Cl,MJOWLXIVQPXMGZ-UHFFFAOYSA-N,4,1,0.545,11,201,452.902,4.724,5,0.347,0.66,1.0,0.7877801384415051,0.8294667945994106,0.7507110547597834,0.7697124940031527,0.784417620450963
EOS-4-04241,O=C(c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1F)N1CCCC1,MBVDCGMFMLODNL-UHFFFAOYSA-N,4,1,0.372,0,21,438.413,4.166,5,0.478,0.84,0.964,0.1991124665889932,0.2904273182098554,0.15697176341580427,0.4014803646083202,0.2619979782057433
EOS-4-04242,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3F)n12,WXZNVUQFDOLKPF-UHFFFAOYSA-N,4,1,0.524,35,143,436.447,4.21,5,0.371,0.79,1.0,0.8402525529435954,0.8294753615242273,0.6448409978754026,0.6406089370159688,0.7387944623397985
EOS-4-04244,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4Cl)n23)cc1Cl,VOBSVNBWFUHOCY-UHFFFAOYSA-N,4,1,0.549,59,293,469.307,5.217,5,0.353,0.77,1.0,0.8816136659584676,0.8709392776368995,0.9231289836200397,0.9405369748475088,0.9040547255157289
EOS-4-04245,O=C(NCCF)c1ccc(-c2nnc3cncc(CNc4ccc(F)cc4F)n23)cc1,FEUZHVNJFNTDQH-UHFFFAOYSA-N,4,1,0.436,48,678,426.402,3.381,4,0.473,0.88,1.0,0.38587142759235143,0.42959701185662397,0.6755020217942568,0.5988708793091632,0.5224603351380989
EOS-4-04246,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cc2)n1,SYHODKACFQBANG-UHFFFAOYSA-N,4,1,0.575,43,178,447.861,4.323,5,0.396,0.7,1.0,0.9267956274415736,0.9166609553834556,0.7507196216846,0.7620622301418682,0.8390596086628743
EOS-4-04247,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4cnccn4)c3)n12,OAVUMWYLVIXVFO-UHFFFAOYSA-N,4,1,0.543,75,324,414.404,2.799,5,0.391,0.65,1.0,0.7764375299842369,0.7056918648481941,0.40383626893290386,0.36686142142416556,0.5632067712973751
EOS-4-04249,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(C)NC(C)=O)cc4F)n23)c(F)c1F,MGZSWRHRMIZRHD-UHFFFAOYSA-N,4,1,0.337,0,129,468.439,3.432,4,0.467,0.75,1.0,0.39036906312110203,0.3877732849016517,0.8549105613049139,0.6841546158590912,0.5793018812966897
EOS-4-04250,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1)N1CCCC1,OYRBBYRARSFXSN-UHFFFAOYSA-N,4,1,0.414,0,21,421.863,4.487,5,0.489,0.93,1.0,0.33012644781029404,0.4428671783976424,0.09695188815022959,0.46163731067096153,0.3328957062572819
EOS-4-04251,NC(=O)c1ccc(-c2nnc3cncc(NCc4ccc(C(F)F)cn4)n23)cc1F,HLPKBTRXEGSFLR-UHFFFAOYSA-N,4,1,0.467,66,225,413.363,2.974,4,0.503,0.78,0.948,0.10060139812213008,0.06043965458159139,0.8001936125008567,0.6810705229250908,0.41057629703241727
EOS-4-04252,COc1ccc(-c2nnc3cncc(-c4nccnc4-c4nc(F)ccc4Cl)n23)cn1,ZUXVSJHHSKZLMQ-UHFFFAOYSA-N,4,1,0.318,50,155,434.822,3.506,5,0.396,0.73,0.843,0.517485093550819,0.627373038174217,0.4038448358577205,0.4363991501610582,0.49627552943595366
EOS-4-04253,Fc1ncc(Cl)nc1COc1cncc2nnc(-c3ccc(-c4ccccn4)nc3)n12,KPWUHNBGCFOQIQ-UHFFFAOYSA-N,4,1,0.483,24,786,434.822,3.41,5,0.414,0.74,0.992,0.6746881639366733,0.7641696936467686,0.3892639298197519,0.43640771708587484,0.5661323761222671
EOS-4-04254,Clc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,HBDNTBDEFGCGKD-UHFFFAOYSA-N,4,1,0.612,11,0,418.844,4.116,5,0.409,0.67,1.0,0.7905386882324721,0.7641782605715852,0.6353402782537181,0.6548214652868206,0.7112196730861491
EOS-4-04255,N#Cc1cc(-c2nnc3cncc(OCc4conc4-c4ncccc4F)n23)ccc1Cl,AIKZJALMAKXGKS-UHFFFAOYSA-N,4,1,0.512,59,109,447.817,4.084,5,0.395,0.66,1.0,0.8020612021108903,0.8362346652045781,0.7784164896168871,0.8129240627784251,0.8074091049276952
EOS-4-04256,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c1F,WINLEXGVMAEWQW-UHFFFAOYSA-N,4,1,0.522,65,265,436.447,4.21,5,0.397,0.63,1.0,0.8518093345212803,0.829483928449044,0.7483294496607498,0.7388201631142485,0.7921107189363307
EOS-4-04257,O=C(c1ccc(-c2cncc3nnc(-c4ncc(F)cc4F)n23)cn1)N1Cc2ccc(F)cc2C1,ITBQZCFZLDITAK-UHFFFAOYSA-N,4,1,0.33,96,315,473.418,3.822,6,0.396,0.78,1.0,0.30463127955589064,0.3542337742443972,0.43656192173257485,0.6112329518196148,0.4266649818381194
EOS-4-04258,Fc1ccc(Oc2cncc3nnc(-c4cnnc(-c5cncnc5)c4)n23)c(F)c1,ORBROUTYPWQLKZ-UHFFFAOYSA-N,4,1,0.427,13,251,404.34,3.109,5,0.45,0.62,1.0,0.6014152559797136,0.6415855664450689,0.7280344047700638,0.7335857720512645,0.6761552498115276
EOS-4-04260,Fc1cnc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3F)n12,DYTAZJUDOMUFKC-UHFFFAOYSA-N,4,1,0.436,58,262,467.827,2.986,5,0.274,0.62,1.0,0.8606846686313481,0.9016517031046536,0.2669882119114523,0.32798471660612705,0.5893273250633952
EOS-4-04261,Cc1cc(-c2cncc3nnc(-c4ccc(-c5cc(Cl)ncn5)nc4)n23)ncc1F,CEMFGEICMUXWLC-UHFFFAOYSA-N,4,1,0.318,50,155,418.823,3.806,5,0.411,0.68,1.0,0.3349153587828113,0.43428311973134126,0.6386985127818519,0.6663525460900556,0.518562384346515
EOS-4-04262,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1F,BRPUIJBEXHLFHU-UHFFFAOYSA-N,4,1,0.451,73,911,438.373,2.978,5,0.389,0.66,1.0,0.7016225755602769,0.6808820505791241,0.6996950174765266,0.6575885820026044,0.684947056404633
EOS-4-04263,Fc1cc(F)c(Oc2cncc3nnc(-c4ccc(-c5ncc(Cl)s5)nn4)n23)c(F)c1,ZGKQJVKLPLFMFC-UHFFFAOYSA-N,4,1,0.376,54,724,461.816,4.568,5,0.387,0.56,0.955,0.7262524844081968,0.7427866493043657,0.7254043588513467,0.79977383318484,0.7485543314371872
EOS-4-04264,Oc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1ccoc1,JOIGGEXMRRZNES-UHFFFAOYSA-N,4,1,0.578,35,982,433.855,4.427,5,0.423,0.58,1.0,0.8229473648139264,0.7599119320128846,0.7807638270166541,0.7767630731272702,0.7850965492426839
EOS-4-04267,Cn1ccc(-c2ccc(-c3nnc4cncc(CNc5ccc(F)cc5F)n34)cc2F)n1,VXHPOJZTYURTGU-UHFFFAOYSA-N,4,1,0.347,45,291,435.413,4.221,5,0.448,0.78,1.0,0.2127681447467617,0.32992940853951064,0.8863340415324515,0.8683777671167158,0.5743523404838599
EOS-4-04268,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)c1,NHSIHMBFUFRLIB-UHFFFAOYSA-N,4,1,0.575,43,909,422.42,4.167,5,0.423,0.78,1.0,0.6383130011651018,0.7240850524295799,0.8288671098622439,0.8449129600438626,0.7590445308751971
EOS-4-04269,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5conn5)c(F)c4)n23)n1,VATMBTKTQKKXDE-UHFFFAOYSA-N,4,1,0.467,73,526,426.318,2.628,5,0.391,0.66,1.0,0.6836491672949078,0.6228582687958331,0.6118326365567816,0.604884860530464,0.6308062332944966
EOS-4-04270,Cc1nc(-c2nnc3cncc(Oc4c(F)cc(F)cc4F)n23)ccc1-c1cncs1,XBDLGQROTLNRKI-UHFFFAOYSA-N,4,1,0.398,13,724,440.41,4.828,5,0.398,0.57,1.0,0.6716383387019396,0.6858851346720581,0.8268967171544103,0.8041258309917072,0.7471365053800287
EOS-4-04271,N#Cc1ccc(-c2nnc3cncc(OCc4ncccc4F)n23)cc1-c1ccsc1,UFDOAQYHYAZNPQ-UHFFFAOYSA-N,4,1,0.523,97,744,428.452,4.505,5,0.409,0.64,1.0,0.7934600095949558,0.7514392433692002,0.8422143787266123,0.8330820368720444,0.8050489171407031
EOS-4-04272,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4Cl)n23)ccn1,BAUKWYGBBUTMLH-UHFFFAOYSA-N,4,1,0.605,35,352,452.902,4.724,5,0.347,0.67,1.0,0.8303491878555274,0.8896066068124187,0.8080409156329244,0.8289442121855939,0.8392352306216161
EOS-4-04273,N=c1ccc(F)c(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cn2)nc1,PSNHAQHURUBGBI-UHFFFAOYSA-N,4,1,0.49,84,981,458.432,3.022,5,0.416,0.64,0.997,0.7413302720855321,0.5698290041806593,0.6149081625659654,0.5839215955040779,0.6274972585840587
EOS-4-04274,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cncc(-c5cncnc5)c4)n23)cc1F,BKYLNXVLKYXKEE-UHFFFAOYSA-N,4,1,0.27,94,165,466.415,3.441,6,0.385,0.69,0.403,0.24837228428483313,0.28512439174833804,0.6238948666986499,0.6954629566170927,0.46321362483722844
EOS-4-04275,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(-c6cccnc6)cn5)n34)cn2)cc1,ANTAGLYNNQRJLG-UHFFFAOYSA-N,4,1,0.359,42,106,446.449,4.511,6,0.393,0.83,1.0,0.2857412103351381,0.4296055787814406,0.6562949763552876,0.7035758344184772,0.5188043999725859
EOS-4-04276,Cc1cnnc(-c2cc(F)c(-c3nnc4cncc(OCc5ncc(F)c(F)n5)n34)cc2F)n1,VCDWHDOFZMAQJI-UHFFFAOYSA-N,4,1,0.418,73,379,469.362,2.877,5,0.283,0.6,1.0,0.7203498732095127,0.802326776780207,0.5677215406757591,0.5680128161195257,0.6646027516962512
EOS-4-04277,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cccnc1,ZTWWKEAIAQFXHF-UHFFFAOYSA-N,4,1,0.533,35,103,442.454,4.018,5,0.352,0.72,1.0,0.910458501816188,0.8467548488794462,0.7124169008292783,0.6112415187444314,0.770217942567336
EOS-4-04279,Fc1nc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccc1Cl,YXSUBSDXGUZMLR-UHFFFAOYSA-N,4,1,0.571,90,385,405.22,3.649,4,0.472,0.66,1.0,0.8978308546364198,0.9644129943115619,0.7507281886094168,0.8248577890480433,0.8594574566513604
EOS-4-04280,OCc1cncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)n1,OSFNBXLSAFJGRE-UHFFFAOYSA-N,4,1,0.556,35,234,443.442,2.896,5,0.409,0.65,1.0,0.7962185593859228,0.7194846138030293,0.5607480638749914,0.5118309231718182,0.6470705400589405
EOS-4-04281,Fc1cnnc(COc2cncc3nnc(-c4ccc(-c5cncnc5)c(C(F)F)n4)n23)c1,IDBZHRHJAJWYKR-UHFFFAOYSA-N,4,1,0.378,46,435,451.372,3.089,5,0.384,0.63,0.866,0.5588376396408745,0.6322390514700843,0.6264906449181002,0.5646888492906587,0.5955640463299294
EOS-4-04282,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)ncc1Cl,WMLVGAJVUHMUMD-UHFFFAOYSA-N,4,1,0.568,97,22,438.875,4.681,5,0.396,0.64,1.0,0.7474042217805497,0.8178329106983757,0.8059248852032075,0.8151514632307587,0.796578370228223
EOS-4-04283,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,SMUXTSWOTQOKHS-UHFFFAOYSA-N,4,1,0.58,4,71,438.875,4.681,5,0.396,0.68,1.0,0.7262610513330136,0.8256031115070934,0.7784250565417038,0.8082893564526078,0.7846446439586046
EOS-4-04284,CCONC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)cc1F,ZEJNJDUROLXYGZ-UHFFFAOYSA-N,4,1,0.324,0,129,470.411,2.917,4,0.42,0.75,1.0,0.509929065862518,0.4296141457062573,0.7434977040641492,0.5930796381330957,0.569030138441505
EOS-4-04286,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3Cl)n12,PFCLKAUQYXYOJW-UHFFFAOYSA-N,4,1,0.524,35,143,437.822,3.65,5,0.371,0.66,1.0,0.830357754780344,0.7813378109793708,0.5239788225618532,0.545284764580906,0.6702397882256186
EOS-4-04288,Fc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,DUGGAWBNZOVJSI-UHFFFAOYSA-N,4,1,0.542,65,324,414.404,2.799,5,0.391,0.7,1.0,0.8281903228017271,0.8256116784319101,0.34802275375231306,0.32799328353094376,0.5824545096292235
EOS-4-04289,Clc1cc(-c2nnc3cncc(OC4C5CCCC4OC5)n23)ccc1-c1cccnn1,WJULCIJQVATEQP-UHFFFAOYSA-N,4,1,0.427,78,548,434.887,3.848,6,0.482,0.62,0.994,0.6014238229045302,0.6858937015968748,0.5341648961688712,0.692772942224659,0.6285638407237338
EOS-4-04290,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5ncccc5F)nn4)n23)c1,JTHBCAJGWDCHGB-UHFFFAOYSA-N,4,1,0.44,54,670,436.357,3.035,5,0.387,0.74,0.676,0.5486601329586731,0.6040538688232472,0.5677301076005757,0.6171955314920157,0.584409910218628
EOS-4-04291,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(Cl)n2)ccn1,PZJMNRGQIMXHGY-UHFFFAOYSA-N,4,1,0.449,58,143,448.849,3.452,5,0.364,0.7,1.0,0.7562195874169009,0.8498989102871634,0.3855887190734014,0.4459084367075595,0.6094039133712563
EOS-4-04292,Fc1cc(-c2n[nH]c(C(F)F)n2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,JFEIJDLFWRYCDB-UHFFFAOYSA-N,4,1,0.457,47,208,473.806,3.676,5,0.396,0.66,1.0,0.7139589472962785,0.8294924953738606,0.6724864642587897,0.6636196970735385,0.7198894010006168
EOS-4-04293,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(C#N)nc5F)n34)ccn2)nc1,NRVRMZRPKAXNKH-UHFFFAOYSA-N,4,1,0.473,75,420,439.414,2.937,5,0.38,0.59,1.0,0.822955931738743,0.7008087177026935,0.4582105407442944,0.3764906449181002,0.5896164587759578
EOS-4-04294,CN(Cc1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12)c1ccc(F)c(Cl)c1,RNCKKAXDOHMSLG-UHFFFAOYSA-N,4,1,0.494,14,189,450.93,5.344,5,0.361,0.75,1.0,0.33492392570762797,0.344852991570146,0.8405266945377288,0.8210969090535262,0.5853501302172572
EOS-4-04295,Fc1cccc(-c2cncnc2-c2nnc3cncc(OCc4ncc(-c5cccnc5)cn4)n23)c1,NBJMRQRLJAFGRO-UHFFFAOYSA-N,4,1,0.394,41,518,477.463,3.818,6,0.353,0.74,1.0,0.5958724556233295,0.5418322938797889,0.46160304297169485,0.48899150161058186,0.5220748235213488
EOS-4-04296,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4F)n23)c1,UYKLNHRHNYQWEM-UHFFFAOYSA-N,4,1,0.528,37,619,419.395,3.476,5,0.453,0.64,1.0,0.8993300664793366,0.846763415804263,0.7571876499211843,0.7543177301076006,0.814399715578096
EOS-4-04297,Fc1cnc(F)c(CCOc2cncc3nnc(-c4cnnc(-c5cccnc5)c4)n23)c1,MJKUXXLFTQLQAL-UHFFFAOYSA-N,4,1,0.48,87,778,432.394,2.938,5,0.377,0.5,1.0,0.7850387225001714,0.7514478102940169,0.5709855390309094,0.5680213830443424,0.6688733637173601
EOS-4-04298,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4Cl)n23)nc1,IQTJGVLQAGSCIL-UHFFFAOYSA-N,4,1,0.482,51,263,467.827,2.986,5,0.347,0.55,1.0,0.8329278322253444,0.8896151737372353,0.24910903981906654,0.3377681447467617,0.577355047632102
EOS-4-04299,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cncs1,KLLFBDOIPFVMHZ-UHFFFAOYSA-N,4,1,0.605,35,352,436.447,4.21,5,0.371,0.73,1.0,0.9026111986841203,0.8844236172983346,0.7571962168460009,0.7466674662463162,0.822724624768693
EOS-4-04300,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)o1,CPDDCAZEBLZWRW-UHFFFAOYSA-N,4,1,0.649,59,294,420.379,4.007,5,0.424,0.76,1.0,0.9009406483448701,0.8362432321293949,0.8059334521280241,0.7415101775066822,0.8211568775272429
EOS-4-04301,N#Cc1cc(-c2nnc3cncc(-c4nccc(-c5cnccn5)n4)n23)ccc1Cl,OGQJPDCSNRGMCO-UHFFFAOYSA-N,4,1,0.341,50,261,411.816,3.23,5,0.444,0.77,1.0,0.30980570214515796,0.5236704132684532,0.5477434720032897,0.6286409430470838,0.5024651326159961
EOS-4-04302,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(C(F)F)c4)n23)cc1,RNCKIDWXTARRCM-UHFFFAOYSA-N,4,1,0.37,0,999,427.842,4.799,4,0.496,0.91,1.0,0.4119491467342883,0.5799294085395107,0.9281920361866904,0.8967257213350696,0.7041990781988897
EOS-4-04303,OCc1cc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)ccc1F,DPHSDSKXJQWUIH-UHFFFAOYSA-N,4,1,0.561,59,293,436.378,3.191,5,0.432,0.76,1.0,0.8835326571174011,0.6908539510657254,0.8595624014803646,0.8151600301555754,0.8122772599547666
EOS-4-04304,Cn1nncc1-c1cccc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)c1,VTJKWIIUVLOALC-UHFFFAOYSA-N,4,1,0.472,13,145,423.358,3.796,5,0.409,0.66,1.0,0.48005619902679736,0.6138115961894318,0.8851518059077513,0.8667500514015489,0.7114424131313823
EOS-4-04305,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)ccnc1Cl,XLTRKJRVBUASIM-UHFFFAOYSA-N,4,1,0.554,11,201,452.902,4.724,5,0.347,0.54,1.0,0.902619765608937,0.9306678774587074,0.7620793639915016,0.7720255637036529,0.8418481426906996
EOS-4-04306,Fc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4ccc(Cl)cn4)c3)n12,XCTNCIACVRWJCC-UHFFFAOYSA-N,4,1,0.511,65,778,448.849,3.452,5,0.389,0.54,1.0,0.7962271263107394,0.8467719827290796,0.5804862586525941,0.634646357343568,0.7145329312589953
EOS-4-04307,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3F)n12,DHWSJMKDCRYXAH-UHFFFAOYSA-N,4,1,0.524,35,143,436.447,4.21,5,0.371,0.68,1.0,0.807304160098691,0.8178414776231924,0.6888492906586252,0.6954715235419094,0.7523666129806045
EOS-4-04308,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)n5)n34)ccn2)c1,WHCACCAHGXLHOK-UHFFFAOYSA-N,4,1,0.573,24,912,417.379,3.501,5,0.404,0.63,1.0,0.5614762524844082,0.5514358165992735,0.6862106778150915,0.6781663354122405,0.6193222705777535
EOS-4-04311,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)cc1F,QJBFXFYFOGDHSE-UHFFFAOYSA-N,4,1,0.694,59,294,422.42,4.167,5,0.423,0.77,1.0,0.8630320060311151,0.8680008224247824,0.7736789801932699,0.7543262970324173,0.8147595264203962
EOS-4-04312,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)c1,WPDJMGRCHUJFDQ-UHFFFAOYSA-N,4,1,0.516,47,164,454.828,3.525,5,0.391,0.68,1.0,0.9120176821328216,0.9126430676444384,0.7148670413268453,0.7492632444657665,0.822197758892468
EOS-4-04313,Cn1cncc1-c1ccc(-c2nnc3cncc(COc4ccc(F)cc4Cl)n23)cc1,SLGLHASSZIFXAO-UHFFFAOYSA-N,4,1,0.441,14,189,434.862,4.563,5,0.405,0.74,1.0,0.6352803097800014,0.569837571105476,0.885160372832568,0.8772788020012336,0.7418892639298198
EOS-4-04314,Fc1ccc(-c2ncccc2-c2nnc3cncc(-c4cnnc(-c5cccnc5)c4)n23)nc1,HYVJJMQBVONSDI-UHFFFAOYSA-N,4,1,0.3,32,935,447.437,3.906,6,0.4,0.52,1.0,0.2696610924542526,0.3542423411692139,0.5030583921595504,0.5516414227948736,0.41965081214447264
EOS-4-04315,N#Cc1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1nccs1,LGRSEMDQEGSQQQ-UHFFFAOYSA-N,4,1,0.472,97,666,447.43,4.039,5,0.375,0.66,0.999,0.8816222328832842,0.8101226783633747,0.8214567198958262,0.7932030018504558,0.8266011582482353
EOS-4-04316,CC#Cc1cc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)ccn1,MLDVRIYWRANMAO-UHFFFAOYSA-N,4,1,0.478,24,912,437.438,3.733,5,0.387,0.7,1.0,0.7989257076279899,0.6759389349599068,0.7072253443903777,0.6048934274552806,0.6967458536083887
EOS-4-04317,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(Cl)c4)n23)c1,AEWJVYDKQLTHMQ-UHFFFAOYSA-N,4,1,0.527,47,164,454.828,3.525,5,0.391,0.6,1.0,0.935114111438558,0.9221009526420396,0.7174371187718457,0.7543348639572339,0.8322467617024193
EOS-4-04318,COc1cc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1cnoc1,GLMWBRNGGIMXRU-UHFFFAOYSA-N,4,1,0.547,97,103,435.39,4.312,5,0.393,0.72,1.0,0.8993386334041532,0.7514563772188335,0.9231375505448565,0.8744774175861832,0.8621024946885065
EOS-4-04319,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C#N)n5)n34)cc2F)n1,HANOTDHZCTWDRQ-UHFFFAOYSA-N,4,1,0.511,4,702,456.416,3.681,5,0.393,0.71,1.0,0.8352923034747447,0.8593053937358646,0.7098125556850113,0.6406175039407854,0.7612569392091014
EOS-4-04322,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3Cl)n12,UUKCIRAMNSJSDO-UHFFFAOYSA-N,4,1,0.524,35,143,437.822,3.65,5,0.371,0.64,1.0,0.7962356932355562,0.7641868274964019,0.5744123089575766,0.6049019943800973,0.684934206017408
EOS-4-04324,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)F)nc4)n23)c(F)c1F,ZFWRTHPLLUDMIB-UHFFFAOYSA-N,4,1,0.337,66,129,416.338,3.429,4,0.516,0.78,0.994,0.3396014666575286,0.4517510794325269,0.9273182098553903,0.8716331985470496,0.6475759886231238
EOS-4-04325,N#Cc1cc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cn2)ccc1F,WVWOAOLITOYRRQ-UHFFFAOYSA-N,4,1,0.364,96,648,453.412,3.769,5,0.442,0.76,1.0,0.35111541361113013,0.3157854156671921,0.9069546295661709,0.8897351106846686,0.6158976423822904
EOS-4-04326,Fc1ccncc1CCOc1cncc2nnc(-c3cc(F)c(-c4ncon4)cc3F)n12,MHOBJBDMRHYQMX-UHFFFAOYSA-N,4,1,0.556,73,325,439.357,3.275,5,0.397,0.66,1.0,0.7622335686382017,0.695608594338976,0.7596120896443013,0.7595349873209513,0.7442473099856076
EOS-4-04327,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,YVBKYSOZYJKOME-UHFFFAOYSA-N,4,1,0.585,35,352,436.447,4.21,5,0.371,0.73,1.0,0.865070934137482,0.8994585703515866,0.7458022068398328,0.7363528887670482,0.8116711500239874
EOS-4-04328,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,BPFAUVBWNMBFEN-UHFFFAOYSA-N,4,1,0.529,65,324,414.404,2.799,5,0.418,0.75,1.0,0.8379052155438284,0.868009389349599,0.4510571585223768,0.41429648413405523,0.6428170618874648
EOS-4-04330,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c1F,AOFYDOPNXWIDMS-UHFFFAOYSA-N,4,1,0.55,24,912,422.42,4.167,5,0.423,0.61,1.0,0.7934685765197724,0.6859022685216914,0.7644095675416352,0.7492718113905832,0.7482630559934205
EOS-4-04331,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)cnn2)cn1,YLZVXIBHAXPEHC-UHFFFAOYSA-N,4,1,0.478,59,109,447.861,4.323,5,0.396,0.57,1.0,0.7233397299705298,0.8063874991433075,0.8142091015009252,0.815168597080392,0.7897762319237887
EOS-4-04332,Fc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1nc[nH]n1,NUOPDIMYJKVKSO-UHFFFAOYSA-N,4,1,0.688,47,273,435.85,3.99,5,0.433,0.64,1.0,0.9508772531012268,0.9292800356384072,0.7530241244602838,0.7976064012062231,0.8576969536015352
EOS-4-04333,NC(=O)c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccc(Cl)c(F)c4)n23)cc1,NUSWLWZJDUEUOY-UHFFFAOYSA-N,4,1,0.392,96,648,445.845,3.807,5,0.45,0.87,0.976,0.23490507847303133,0.24924611061613322,0.7507367555342335,0.7793331505722706,0.5035552737989172
EOS-4-04334,CCc1nc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1-c1ccncc1,DELDBMBMFSDKQP-UHFFFAOYSA-N,4,1,0.419,97,332,444.445,4.668,5,0.379,0.73,0.998,0.6183606332670825,0.5993077924748133,0.7668254403399356,0.7492803783154,0.6834435610993078
EOS-4-04335,Fc1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)cc1-c1nccs1,UMNQGMIVUWXDIO-UHFFFAOYSA-N,4,1,0.478,73,526,457.853,4.215,5,0.365,0.78,1.0,0.8202573504214927,0.8764906449181002,0.6323846891919677,0.6781749023370571,0.7518268967171544
EOS-4-04336,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)c1,SWSIVWXAZZJMMU-UHFFFAOYSA-N,4,1,0.528,11,0,436.834,4.255,5,0.393,0.61,1.0,0.8353008703995614,0.8063960660681242,0.7254129257761633,0.7620707970666849,0.7822951648276335
EOS-4-04337,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5ncon5)c4)n23)n1,GNXHTZZHUGCPNN-UHFFFAOYSA-N,4,1,0.471,73,82,426.318,2.628,5,0.391,0.7,1.0,0.8073127270235076,0.7333887327804811,0.5408213967514222,0.542192104722089,0.655928740319375
EOS-4-04338,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5c(F)ccnc5F)n34)cn2)cn1,VWAKPGRGJROXDH-UHFFFAOYSA-N,4,1,0.444,55,283,432.394,3.204,5,0.39,0.65,1.0,0.8020697690357069,0.7285398533342471,0.5709941059557261,0.5017733534370502,0.6508442704406826
EOS-4-04339,CCOCc1ccc(-c2nnc3cncc(OCCc4ccc(Br)c(F)c4)n23)nc1,FCRSMNJQWPBKSU-UHFFFAOYSA-N,4,1,0.605,90,683,472.318,4.246,4,0.382,0.81,0.998,0.6625316976218216,0.5467497087245562,0.7382119114522651,0.6606041395380714,0.6520243643341785
EOS-4-04340,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c1,NLJJTDLSYMSXQI-UHFFFAOYSA-N,4,1,0.585,75,496,413.416,3.404,5,0.421,0.75,1.0,0.8255174422589268,0.7008172846275101,0.6060499623055308,0.5839301624288945,0.6790787129052155
EOS-4-04341,N#Cc1cc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,BGSJCLDJSKVMOT-UHFFFAOYSA-N,4,1,0.539,35,161,427.399,3.474,5,0.405,0.63,1.0,0.9041960797752039,0.7899818381193887,0.720367007059146,0.6663611130148722,0.7702265094921528
EOS-4-04342,Cc1cc(-c2cc(Cl)ncn2)cnc1-c1cncc2nnc(-c3ccc(F)cn3)n12,MFRTYRFVIWSLAX-UHFFFAOYSA-N,4,1,0.298,50,155,418.823,3.806,5,0.411,0.71,0.639,0.32483208827359333,0.3592539921869646,0.5442395997532725,0.6143598793776985,0.46067138989788226
EOS-4-04343,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,QEUYGOIHKJOSGO-UHFFFAOYSA-N,4,1,0.522,65,324,414.404,2.799,5,0.391,0.74,1.0,0.8447673223219793,0.8622438489479817,0.39287060516756905,0.36017065314234803,0.6150131073949695
EOS-4-04344,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1cnsc1,IPGDHSVFRVEPDR-UHFFFAOYSA-N,4,1,0.711,91,103,465.485,4.823,5,0.343,0.57,1.0,0.8962031389212528,0.7938712219861559,0.8944383524090193,0.8369799876636282,0.855373175245014
EOS-4-04345,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5ncc(F)cn5)c4)n23)c1Cl,WVXZUQKXGYPBFD-UHFFFAOYSA-N,4,1,0.461,75,420,448.849,3.718,5,0.4,0.61,1.0,0.8098228359947913,0.7285484202590639,0.5274484271126036,0.52514392433692,0.6477409019258447
EOS-4-04346,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cc2F)cnn1,ABBWOXRAJFGHQI-UHFFFAOYSA-N,4,1,0.511,37,795,432.394,2.938,5,0.403,0.62,1.0,0.8672726338153657,0.8816822013570009,0.5137413474059351,0.5251524912617367,0.6969621684600096
EOS-4-04347,Fc1cc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)ccc1-c1ncon1,LXINLFZFYJBJRM-UHFFFAOYSA-N,4,1,0.615,73,559,439.357,3.275,5,0.397,0.7,1.0,0.8872421355630183,0.817850044548009,0.7382204783770817,0.7363614556918648,0.7949185285449935
EOS-4-04349,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)c1F,CLDDJTBZGMSYOY-UHFFFAOYSA-N,4,1,0.537,59,183,422.42,4.167,5,0.423,0.66,1.0,0.8020783359605236,0.6859108354465081,0.8269052840792269,0.8082979233774245,0.7807980947159208
EOS-4-04350,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5)n34)cn2)cn1,UUPXSRLQNONXPI-UHFFFAOYSA-N,4,1,0.483,55,283,432.394,3.204,5,0.39,0.68,1.0,0.7934771434445891,0.7285569871838805,0.6089627167431979,0.5185559591529024,0.6623882016311425
EOS-4-04351,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1cncnc1,DOWPHWNRYQKUEN-UHFFFAOYSA-N,4,1,0.484,4,83,447.405,3.509,5,0.365,0.61,1.0,0.7562281543417175,0.719493180727846,0.7852614625454047,0.6841631827839079,0.736286495099719
EOS-4-04352,N#Cc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1ncon1,LIIAMTMYQPXWRN-UHFFFAOYSA-N,4,1,0.524,16,332,447.817,4.084,5,0.395,0.7,1.0,0.9104670687410047,0.8329878006990611,0.8695771365910493,0.8785895414981838,0.8729053868823248
EOS-4-04353,Fc1cccc(-c2cncnc2-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,CMQIHSDKUQXDQK-UHFFFAOYSA-N,4,1,0.448,44,141,447.861,4.057,5,0.387,0.75,0.972,0.7324292372010143,0.7471043794119663,0.614916729490782,0.7064371873072441,0.7002218833527517
EOS-4-04354,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4F)n23)n1,HQDDNDQEIDITQV-UHFFFAOYSA-N,4,1,0.466,73,82,426.318,2.628,5,0.391,0.72,1.0,0.7706120211089027,0.7195017476526626,0.5442481666780893,0.5321516688369543,0.6416284010691522
EOS-4-04355,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)c1,PUVIIDJGINOZFG-UHFFFAOYSA-N,4,1,0.622,43,909,422.42,4.167,5,0.423,0.71,1.0,0.8495305325200466,0.8649852648893154,0.814217668425742,0.8083064903022411,0.8342599890343363
EOS-4-04356,COc1cc(F)ccc1-c1nnc2cncc(OCCc3cc(F)c(F)cn3)n12,QLUNZCKFKBKMBT-UHFFFAOYSA-N,4,1,0.512,90,281,401.348,3.234,4,0.494,0.74,1.0,0.8908830786101021,0.8561099307792475,0.8609845109999315,0.8129326297032418,0.8552275375231306
EOS-4-04357,Cc1n[nH]c(-c2cc(COc3cncc4nnc(-c5ccc(C(F)(F)F)cn5)n34)cnn2)n1,XMXLUKYNRUQMFE-UHFFFAOYSA-N,4,1,0.388,53,760,454.376,2.668,5,0.425,0.62,0.759,0.5149407168802687,0.44287574532245905,0.6997035844013433,0.5483345898156398,0.5514636591049277
EOS-4-04358,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3Cl)n12,ACGIPFZMTVTDIJ-UHFFFAOYSA-N,4,1,0.468,58,28,482.306,4.711,5,0.324,0.55,1.0,0.8672812007401823,0.892510794325269,0.6532194503461037,0.7492889452402166,0.7905750976629429
EOS-4-04359,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ncccc3Cl)n12,XRAYCFANNPAFJS-UHFFFAOYSA-N,4,1,0.495,58,28,447.861,4.057,5,0.362,0.72,1.0,0.8124443149886916,0.8816907682818176,0.4893256116784319,0.5646974162154753,0.6870395277911041
EOS-4-04360,Fc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nn2)cs1,FSXPKLXTAKLQDL-UHFFFAOYSA-N,4,1,0.584,54,691,441.398,3.701,5,0.411,0.7,0.963,0.804622712631074,0.6956171612637927,0.712425467754095,0.7307758207113975,0.7358602905900898
EOS-4-04361,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)c(F)c3)n12,AXGVHSWBAWMDMF-UHFFFAOYSA-N,4,1,0.571,35,161,436.447,4.21,5,0.397,0.7,1.0,0.8835412240422178,0.8561184977040641,0.7891765471866219,0.7793417174970872,0.8270444966074977
EOS-4-04362,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5csc(F)n5)nc4)n23)c1,QAVIXOOAUWDLPD-UHFFFAOYSA-N,4,1,0.582,59,109,422.42,4.167,5,0.423,0.79,1.0,0.840261119868412,0.7938797889109726,0.7280429716948804,0.7226800767596464,0.7712159893084778
EOS-4-04363,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cccnc1,OVROTFYOEDQZLD-UHFFFAOYSA-N,4,1,0.526,35,103,442.454,4.018,5,0.376,0.69,1.0,0.9268041943663903,0.864993831814132,0.7358217394284148,0.6433589198821191,0.7927446713727639
EOS-4-04365,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4Cl)n23)ccc1-c1cscn1,OKQHAXFSEPIDSP-UHFFFAOYSA-N,4,1,0.523,11,490,470.892,4.863,5,0.352,0.64,1.0,0.9280978000137071,0.9166695223082723,0.8142262353505586,0.855193269823864,0.8785467068741005
EOS-4-04366,Fc1cc(F)cc(CNCc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)c1,UWEIZZFHRQUYJS-UHFFFAOYSA-N,4,1,0.378,14,291,434.475,4.483,5,0.427,0.68,1.0,0.3046398464807073,0.2851329586731547,0.8549191282297307,0.8635717222945651,0.5770659139195395
EOS-4-04367,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)ccn1,BGQNUJBOKRLYFS-UHFFFAOYSA-N,4,1,0.58,35,215,413.416,3.404,5,0.394,0.7,1.0,0.9500291275443766,0.930676444383524,0.6888578575834419,0.6464772805153862,0.8040101775066821
EOS-4-04368,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)ccn2)nn1,ZJEIQAASOWKXML-UHFFFAOYSA-N,4,1,0.518,58,583,432.394,2.938,5,0.377,0.67,1.0,0.8582859296826811,0.7240936193543965,0.4995802206839833,0.4860530463984648,0.6420032040298814
EOS-4-04369,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccno4)c(F)c3)n12,WRYACKDVABUAQE-UHFFFAOYSA-N,4,1,0.62,35,161,420.379,3.741,5,0.413,0.72,1.0,0.8202659173463094,0.7285655541086972,0.8142348022753753,0.7932115687752724,0.7890694606264136
EOS-4-04370,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5nncs5)c4)n23)n1,VAJAVMKKPIXBNU-UHFFFAOYSA-N,4,1,0.456,73,526,442.386,3.096,5,0.383,0.65,1.0,0.7589952710575012,0.7938883558357892,0.5274569940374203,0.5452933315057227,0.6564084881091083
EOS-4-04371,Fc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ccns4)cc3)n12,MASSYPXJYSJFAC-UHFFFAOYSA-N,4,1,0.538,97,91,438.875,4.681,5,0.371,0.69,1.0,0.9175604824892056,0.8467805496538963,0.8269138510040436,0.8351123980535947,0.856591820300185
EOS-4-04372,CCc1nc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)cs1,LULKNXCCOUXTCR-UHFFFAOYSA-N,4,1,0.442,13,724,470.892,5.596,5,0.333,0.71,1.0,0.5985881707902131,0.7686844630251525,0.7124340346789116,0.7335943389760812,0.7033252518675895
EOS-4-04373,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cc1C#N,LDQRUWHEUKCBOU-UHFFFAOYSA-N,4,1,0.472,13,145,429.39,4.134,5,0.426,0.74,1.0,0.7443800973202659,0.6664296484134056,0.930753546706874,0.9109039819066548,0.8131168185868001
EOS-4-04374,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4cscn4)ccc3F)n12,PXIFZGMVLGSXGD-UHFFFAOYSA-N,4,1,0.553,35,161,436.447,4.21,5,0.397,0.73,1.0,0.8174988006305257,0.84990747721198,0.7759834829689535,0.7720341306284696,0.8038559728599821
EOS-4-04375,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(S(C)(=O)=O)ccc4Cl)n23)c(F)c1F,XYKPUUWHPPRWLZ-UHFFFAOYSA-N,4,1,0.365,0,129,477.88,3.153,4,0.484,0.83,0.999,0.33738263313001166,0.38313001165101773,0.7759920498937701,0.7767716400520869,0.5683190836817216
EOS-4-04376,COc1ccc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)cc1-c1cscn1,FUZWOGWOJKPXAZ-UHFFFAOYSA-N,4,1,0.662,1,709,433.468,4.642,5,0.388,0.77,1.0,0.9268127612912069,0.8178586114728257,0.8080494825577411,0.7226886436844631,0.8188523747515593
EOS-4-04377,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,OXFIRXJNILXWID-UHFFFAOYSA-N,4,1,0.518,35,143,452.902,4.724,5,0.347,0.71,1.0,0.8559557261325474,0.8925193612500857,0.6698478514152559,0.720109999314646,0.7846082345281338
EOS-4-04379,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)nc3F)n12,DHIBDJYTWGCTNI-UHFFFAOYSA-N,4,1,0.506,58,271,432.394,2.938,5,0.377,0.62,1.0,0.885365979028168,0.8680179562744157,0.46161160989651157,0.45852751696251115,0.6683807655404016
EOS-4-04381,Cc1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ncc(Cl)cn1,WCVPNXXRPYWDIL-UHFFFAOYSA-N,4,1,0.494,46,665,447.861,4.323,5,0.396,0.75,1.0,0.869482900418066,0.7813463779041875,0.5744208758823932,0.6172040984168323,0.7106135631553698
EOS-4-04382,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cccnc1,JBFKERAHBLBXSE-UHFFFAOYSA-N,4,1,0.544,35,103,442.454,4.018,5,0.352,0.74,1.0,0.9255962579672401,0.8499160441367967,0.7507453224590501,0.6433674868069358,0.7924062778425056
EOS-4-04383,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(Cl)nn5)cn4)n23)ccc1Cl,MZUMUSZBLOWLQZ-UHFFFAOYSA-N,4,1,0.341,50,216,446.261,3.884,5,0.41,0.69,1.0,0.3301350147351107,0.532699952025221,0.7458107737646494,0.8211054759783428,0.6074378041258309
EOS-4-04384,Cc1ccc(-c2nnc3cncc(-c4nc(-c5ccc(C(F)F)cn5)cs4)n23)c(F)n1,KTNZUCDOFNTSIL-UHFFFAOYSA-N,4,1,0.346,76,140,439.426,4.757,5,0.376,0.6,0.982,0.2183623466520458,0.4342916866561579,0.7358303063532314,0.712194160784045,0.52516962511137
EOS-4-04385,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)nc1,QLWCJDIXLFDEAA-UHFFFAOYSA-N,4,1,0.538,65,263,448.849,3.452,5,0.364,0.66,1.0,0.9104756356658213,0.9338205057912412,0.4687564251936125,0.4952110890274827,0.7020659139195393
EOS-4-04386,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5cocn5)cc4F)n23)ccn1,PZMACBCCUBYYJN-UHFFFAOYSA-N,4,1,0.388,14,189,406.352,3.699,5,0.411,0.65,1.0,0.6591905969433213,0.6759475018847234,0.8177643752998424,0.7884911932012885,0.7353484168322938
EOS-4-04387,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ccsn5)nn4)n23)cc1F,MAJYWUDDLZVMQC-UHFFFAOYSA-N,4,1,0.442,54,445,441.398,3.701,5,0.384,0.64,0.931,0.677840792269207,0.6040624357480638,0.7572047837708177,0.7793502844219039,0.704614574052498
EOS-4-04388,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccncc5)c4)n23)nn1,FZDNAGFVGBBJPM-UHFFFAOYSA-N,4,1,0.518,72,132,431.406,3.543,5,0.406,0.72,1.0,0.8540710026728805,0.8791892262353506,0.6780549653896237,0.6981701048591598,0.7773713247892536
EOS-4-04389,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cn4)n23)c(Cl)n1,FVMGHQBQUWWDTL-UHFFFAOYSA-N,4,1,0.367,50,155,418.823,3.806,5,0.411,0.74,1.0,0.365045233363032,0.45175964635734356,0.46876499211842915,0.5286049619628538,0.4535437084504146
EOS-4-04390,Clc1ccc(-c2nnc3cncc(-c4nccc(-c5cc(Cl)ncn5)n4)n23)cc1,NBAGUAGVKNHVOZ-UHFFFAOYSA-N,4,1,0.425,22,140,421.251,4.012,5,0.406,0.82,1.0,0.32221060927969297,0.5799379754643273,0.5408299636762388,0.7093927763689946,0.5380928311973134
EOS-4-04391,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)nc1,IKCACGGSDLAQSH-UHFFFAOYSA-N,4,1,0.62,4,71,438.875,4.681,5,0.396,0.7,1.0,0.6957970666849428,0.8064046329929409,0.7891851141114385,0.817130422863409,0.7771293091631828
EOS-4-04392,N#Cc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,XDCGFEDQAXIJSU-UHFFFAOYSA-N,4,1,0.489,72,712,442.389,3.372,5,0.381,0.68,1.0,0.6412000548283189,0.6415941333698856,0.8307175656226441,0.8106623946268248,0.7310435371119184
EOS-4-04393,Cc1nc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1ccccn1,VDPSQKCALWEFEH-UHFFFAOYSA-N,4,1,0.614,19,159,444.445,4.456,5,0.385,0.71,0.997,0.9074086765814543,0.8140206291549585,0.7596206565691179,0.7278887670481804,0.8022346823384279
EOS-4-04394,Cc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncc2F)cn1,FMVGYUYATOTGSR-UHFFFAOYSA-N,4,1,0.434,51,48,465.399,3.397,5,0.372,0.61,1.0,0.7622421355630183,0.8329963676238777,0.48609588102254814,0.3983962716743198,0.619932663970941
EOS-4-04395,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(C6CCCO6)cc5)n34)nc2)nc1,UWZRUCCKKIZFNU-UHFFFAOYSA-N,4,1,0.29,62,523,438.466,4.906,6,0.397,0.68,0.999,0.37671338496333356,0.43430025358097457,0.6780635323144404,0.7415187444314989,0.5576489788225618
EOS-4-04396,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(F)cn4)n23)cc1F)N1CCC(F)(F)CC1,BPJMRMBGPSIMDJ-UHFFFAOYSA-N,4,1,0.364,63,345,470.43,3.927,5,0.423,0.78,0.996,0.10580152148584744,0.22890823110136385,0.3038431224727572,0.5988794462339798,0.3093580803234871
EOS-4-04397,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccncc5F)n34)ncn2)cn1,TXOXTYPUFTYZPI-UHFFFAOYSA-N,4,1,0.457,7,354,419.355,2.29,5,0.423,0.51,0.999,0.5588462065656912,0.6040710026728805,0.4289373586457405,0.4110581865533548,0.5007281886094167
EOS-4-04398,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)c1F,TUPJUGVYIBCSBZ-UHFFFAOYSA-N,4,1,0.531,24,910,422.42,4.167,5,0.423,0.65,1.0,0.8020869028853402,0.8140291960797752,0.7572133506956343,0.7415273113563156,0.7787141902542664
EOS-4-04399,FCc1nccc(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)c1F,VVMHYBTYYLQTBH-UHFFFAOYSA-N,4,1,0.446,16,832,455.425,4.032,5,0.382,0.59,1.0,0.5433400726475225,0.579946542389144,0.7280515386196971,0.7201185662394627,0.6428641799739565
EOS-4-04400,COc1cc(-c2nnc3cncc(OCc4sc(F)c(F)c4F)n23)ccc1-c1nccs1,MFIIVTGPFZTFBO-UHFFFAOYSA-N,4,1,0.489,59,383,475.477,4.981,5,0.345,0.64,1.0,0.8835497909670345,0.8709478445617161,0.797863408950723,0.6927815091494757,0.8112856384072373
EOS-4-04401,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cc4)n23)c(F)c1F,HTPJKOSTQSSIQY-UHFFFAOYSA-N,4,1,0.345,96,648,461.407,3.692,5,0.438,0.81,1.0,0.3019498320882736,0.39708553217736964,0.8269224179288602,0.7793588513467206,0.576329158385306
EOS-4-04402,CNC(=O)c1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,UZCCCOIEVLJRGU-UHFFFAOYSA-N,4,1,0.695,90,281,428.374,2.585,4,0.507,0.67,1.0,0.6808220821054074,0.4783085463641971,0.6448495648002193,0.5960180933452128,0.5999995716537592
EOS-4-04403,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cocn1,QRXYEHSHSAZQIK-UHFFFAOYSA-N,4,1,0.578,1,383,417.4,4.173,5,0.41,0.77,1.0,0.9482986087314098,0.798120416695223,0.8124014803646084,0.7148242067027619,0.8184111781235008
EOS-4-04404,Fc1cc(-c2nnccc2F)ccc1-c1nnc2cncc(OCc3cnccn3)n12,GAZCSWWEFJRASV-UHFFFAOYSA-N,4,1,0.466,73,815,418.367,2.896,5,0.429,0.6,1.0,0.735324857789048,0.7285741210335138,0.6118412034815982,0.608106024261531,0.6709615516414227
EOS-4-04405,Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc(-c2cccc(F)c2F)n1,DHBTYYCIZMKWQB-UHFFFAOYSA-N,4,1,0.484,34,799,465.851,4.462,5,0.378,0.68,1.0,0.732437804125831,0.7938969227606059,0.8020954698101569,0.8129411966280584,0.7853428483311631
EOS-4-04406,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)cnn2)c1,XQMLOYLNDKCBJT-UHFFFAOYSA-N,4,1,0.484,58,778,432.394,2.938,5,0.377,0.58,0.898,0.7474127887053663,0.6956257281886095,0.527465560962237,0.5483431567404564,0.6297118086491673
EOS-4-04407,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4ccc(F)c(F)c4)n23)cc1F,JPFHEMKCJOCJRD-UHFFFAOYSA-N,4,1,0.404,14,291,449.44,3.899,5,0.426,0.75,1.0,0.3789664861901172,0.4915358782811322,0.8736892605030498,0.8587228428483311,0.6507286169556576
EOS-4-04408,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)ccc1F,UYDQAHWVFWRAOO-UHFFFAOYSA-N,4,1,0.547,4,702,463.885,4.553,5,0.376,0.68,1.0,0.7533068329792337,0.8593139606606812,0.8080580494825578,0.8129497635528751,0.8084071516688369
EOS-4-04409,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nncc(Cl)n5)cc4F)n23)cc1F,TXHHIFGLTZXXFO-UHFFFAOYSA-N,4,1,0.354,96,648,464.823,3.341,5,0.432,0.74,1.0,0.327393598793777,0.3639315331368652,0.6997121513261599,0.7388287300390651,0.5324665033239668
EOS-4-04410,N#Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5Cl)n34)ncn2)cn1,CBYLPMHQUYGDDM-UHFFFAOYSA-N,4,1,0.5,73,354,476.287,3.796,5,0.372,0.56,1.0,0.6958056336097594,0.9221095195668563,0.6619662805839216,0.7254129257761633,0.7513235898841751
EOS-4-04411,Fc1cc(CCOc2cncc3nnc(-c4cc(F)c(-c5ncon5)cc4F)n23)ccn1,KSENFRSMEFVTSS-UHFFFAOYSA-N,4,1,0.58,37,325,439.357,3.275,5,0.371,0.62,1.0,0.7877887053663217,0.7285826879583305,0.757221917620451,0.7439174833801658,0.7543776985813173
EOS-4-04412,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)CF)nc4)n23)cc1F,DVDMHTSWIZZBNN-UHFFFAOYSA-N,4,1,0.348,0,688,456.403,3.946,5,0.444,0.89,0.997,0.3535141525597971,0.4561887464875608,0.852100609965047,0.8351209649784114,0.6242311184977041
EOS-4-04413,COCc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1Cl,CGSRQYJCZNIWJI-UHFFFAOYSA-N,4,1,0.523,90,636,449.273,3.795,4,0.424,0.64,1.0,0.747421355630183,0.9085652114317044,0.7409704612432322,0.7884997601261051,0.7963641971078061
EOS-4-04414,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)ccc2Cl)s1,WZYPWEYTSYMBHD-UHFFFAOYSA-N,4,1,0.548,34,146,470.892,5.129,5,0.354,0.73,1.0,0.8582944966074978,0.9461226098279761,0.82504626139401,0.8652422726338154,0.8736764101158249
EOS-4-04415,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1cccnn1,QGUMCEWGNMDWBT-UHFFFAOYSA-N,4,1,0.533,35,161,454.881,3.79,5,0.38,0.63,1.0,0.9561887464875608,0.9555976286752107,0.7333801658556645,0.7439260503049825,0.8472731478308546
EOS-4-04416,FC(F)(F)c1ccc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)cc1,QBRCICHOQYXPQE-UHFFFAOYSA-N,4,1,0.403,66,455,391.744,3.239,4,0.533,0.77,1.0,0.48505928311973134,0.6040795695976973,0.9440322801727092,0.9258875334110068,0.7397646665752862
EOS-4-04417,Cc1cnc(-c2cc(COc3cncc4nnc(-c5nccnc5Cl)n34)ccc2F)cn1,GSJUVKHTUNVPKR-UHFFFAOYSA-N,4,1,0.44,46,540,448.849,3.718,5,0.4,0.64,1.0,0.6987098211226098,0.6615979028168049,0.5100747035844013,0.5286135288876704,0.5997489891028717
EOS-4-04418,N#Cc1cc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)ccc1-c1ccccn1,CDKQLRHRAYFACJ-UHFFFAOYSA-N,4,1,0.495,35,795,438.426,3.276,5,0.397,0.64,1.0,0.9229919128229731,0.9085737783565211,0.510083270509218,0.5118394900966349,0.7133721129463367
EOS-4-04420,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)n5)n34)ccc2F)n1,VFGWXAOXMALCNQ-UHFFFAOYSA-N,4,1,0.517,4,31,431.406,3.809,5,0.391,0.75,1.0,0.8281988897265438,0.7857069426358714,0.6505037351792201,0.6081145911863477,0.7181310396819958
EOS-4-04421,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)n1,PVXZTRSSZPCIFP-UHFFFAOYSA-N,4,1,0.489,58,28,432.394,2.938,5,0.298,0.64,1.0,0.8073212939483243,0.8101312452881914,0.35557878144061406,0.3473202659173463,0.5800878966486189
EOS-4-04422,Fc1cc(-c2nnc3cncc(COc4ccnc(Cl)n4)n23)ccc1-c1cscn1,SCUNHAFAYOAWSN-UHFFFAOYSA-N,4,1,0.398,14,767,439.863,4.076,5,0.381,0.7,1.0,0.64996401891577,0.7057004317730108,0.6060585292303474,0.6143684463025153,0.6440228565554109
EOS-4-04423,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1ccsc1,ACZWHNTWANDROU-UHFFFAOYSA-N,4,1,0.646,91,955,446.507,5.289,5,0.34,0.7,1.0,0.944940374203276,0.8467891165787129,0.8563926392981975,0.7997824001096566,0.8619761325474607
EOS-4-04424,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)s4)n23)ccc1Cl,MVYBLVUVDDZXGL-UHFFFAOYSA-N,4,1,0.458,96,140,474.908,5.436,5,0.374,0.84,0.923,0.1962682475498595,0.37361215817969984,0.8682749640189158,0.8785981084230005,0.5791883695428689
EOS-4-04425,N#Cc1cc(Oc2ccc(-c3cncc4nnc(-c5cc(-c6ncccn6)ccc5F)n34)cc2)nnn1,GMJWRDUHJAOVLV-UHFFFAOYSA-N,4,1,0.35,3,192,488.446,3.903,6,0.351,0.7,1.0,0.6440100061681858,0.7599204989377013,0.6118497704064149,0.5960266602700295,0.6529517339455829
EOS-4-04426,Fc1nc(-c2cnco2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,BUPJUCOFKMVFQN-UHFFFAOYSA-N,4,1,0.518,35,143,437.822,3.65,5,0.371,0.72,1.0,0.8583030635323144,0.8218679322870263,0.5607566307998081,0.5868771845658283,0.7069512027962442
EOS-4-04427,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,VZBZRNIKXDAAQI-UHFFFAOYSA-N,4,1,0.58,35,161,452.902,4.724,5,0.371,0.67,1.0,0.8718216708930162,0.9239257076279899,0.7913696799396889,0.8190836817216092,0.851550185045576
EOS-4-04428,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)ccc1F,SSEDJHJOIMBIRB-UHFFFAOYSA-N,4,1,0.495,4,702,430.378,3.305,5,0.454,0.62,1.0,0.8303663217051607,0.8023353437050237,0.810242615310808,0.7793674182715372,0.8055779247481323
EOS-4-04429,Cc1ccc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)c(Cl)n1,KBPKHIYZLIMSMN-UHFFFAOYSA-N,4,1,0.377,68,364,401.808,3.641,4,0.485,0.62,1.0,0.3535227194846138,0.4116150366664382,0.6353488451785347,0.4952196559522994,0.47392656432047153
EOS-4-04430,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)c(F)c4F)n23)c(F)c1,RXPITYNKZYOBQT-UHFFFAOYSA-N,4,1,0.356,0,129,459.378,4.705,5,0.439,0.87,0.992,0.3967428551847029,0.537394626824755,0.9557518333219107,0.9622369954081283,0.7130315776848742
EOS-4-04431,COc1c(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc(F)c1-c1cccnc1,LTYGVTLXEIXPNX-UHFFFAOYSA-N,4,1,0.527,11,490,460.444,4.157,5,0.36,0.59,1.0,0.8797632101980672,0.7285912548831471,0.7458193406894661,0.6896460146665753,0.7609549551093139
EOS-4-04432,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(C)c(C(=O)NC)c(F)c4)n23)c(F)c1F,ZDOJFBIWCUWOGS-UHFFFAOYSA-N,4,1,0.333,0,129,454.412,2.903,4,0.494,0.63,1.0,0.38124528819135084,0.42962271263107393,0.7072339113151943,0.5711997121513261,0.5223254060722362
EOS-4-04433,Cc1cc(Oc2ccc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)cc5)n34)nc2)ccn1,LWSOZPLYHGWYPC-UHFFFAOYSA-N,4,1,0.292,64,449,476.475,4.945,6,0.344,0.71,0.997,0.462708176273045,0.5190699746419025,0.5710026728805428,0.564705983140292,0.5293717017339455
EOS-4-04434,COc1cc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1-c1cccc(F)c1,FJBMIHBAMINUBI-UHFFFAOYSA-N,4,1,0.586,91,955,442.454,4.018,5,0.376,0.73,1.0,0.9088907545747379,0.8791977931601672,0.7507538893838668,0.6841717497087245,0.8057535467068742
EOS-4-04435,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1nnco1,HUDDWRAFSFMSLC-UHFFFAOYSA-N,4,1,0.517,37,490,439.357,3.275,5,0.397,0.64,1.0,0.8993472003289699,0.7981289836200397,0.7047323692687273,0.7064457542320609,0.7771635768624494
EOS-4-04437,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cnsc4)c3)n12,DMNODBFHWGUCPK-UHFFFAOYSA-N,4,1,0.605,35,161,436.447,4.21,5,0.397,0.7,1.0,0.837913782468645,0.8140377630045919,0.8288756767870605,0.8229473648139264,0.8259436467685559
EOS-4-04438,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c1,GLLBCMFRHIIDOX-UHFFFAOYSA-N,4,1,0.506,47,164,424.346,2.968,5,0.432,0.6,1.0,0.7413388390103488,0.7471129463367829,0.7483380165855664,0.7415358782811322,0.7445814200534575
EOS-4-04440,COc1cc(-c2nnc3cncc(CNCc4ccc(C(F)F)nc4)n23)ccc1-c1ccccn1,WNIQEHUWVIXBOQ-UHFFFAOYSA-N,4,1,0.358,60,257,473.487,4.484,5,0.355,0.79,1.0,0.4395089438695086,0.3054365704886574,0.7954561030772394,0.6433760537317524,0.5459444177917895
EOS-4-04441,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)c(F)cn1,JYHGVEFIKYXNOQ-UHFFFAOYSA-N,4,1,0.516,47,164,454.828,3.525,5,0.391,0.63,1.0,0.9009492152696867,0.897256870673703,0.7530326913851004,0.7743986018778699,0.83140934480159
EOS-4-04442,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3c(F)cncc3Cl)n12,CAJBBNVOCPBSCO-UHFFFAOYSA-N,4,1,0.56,47,164,454.828,3.525,5,0.418,0.68,1.0,0.9203704338290727,0.8925279281749023,0.7280601055445137,0.7671338496333356,0.827023079295456
EOS-4-04443,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)c(F)c4)n23)c1,KTFUHRNGJWFEGB-UHFFFAOYSA-N,4,1,0.544,72,490,431.406,3.543,5,0.406,0.72,1.0,0.907417243506271,0.8870536632170516,0.6970906723322596,0.7094013432938112,0.8002407305873483
EOS-4-04444,Fc1cc(-c2ccncn2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,LLDJESHSPGLBBV-UHFFFAOYSA-N,4,1,0.583,35,234,413.416,3.404,5,0.421,0.75,1.0,0.8020954698101569,0.7471215132615996,0.6294548009046672,0.6018264683709136,0.6951245630868343
EOS-4-04445,O=C(NC1CCC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c(F)c1,MBZHCNKSGWKNEY-UHFFFAOYSA-N,4,1,0.415,0,999,456.308,5.187,5,0.459,0.9,1.0,0.48253204029881436,0.6088684805702145,0.6888664245082585,0.8800973202659174,0.6650910664108012
EOS-4-04446,Fc1cc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)cn5)n34)cn2)ncn1,AMGSHYZSEZGZSD-UHFFFAOYSA-N,4,1,0.366,85,674,419.811,2.817,5,0.409,0.66,0.999,0.3175245014049757,0.42071311082173946,0.3855972859982181,0.4489753957919265,0.3932025735042149
EOS-4-04447,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)cc1F,URWMPLFPYUTCTE-UHFFFAOYSA-N,4,1,0.6,54,411,432.394,2.938,5,0.403,0.75,1.0,0.809831402919608,0.714952710575012,0.5641319991775752,0.5743866081831266,0.6658256802138304
EOS-4-04448,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)nc1,UWUARSQQDLNCBQ-UHFFFAOYSA-N,4,1,0.597,75,583,413.416,3.404,5,0.421,0.74,1.0,0.8229644986635597,0.7380748406551985,0.5677386745253924,0.5385254609005551,0.6668258686861763
EOS-4-04451,Cc1nc(-c2nnc3cncc(CNc4ccc(C#N)cn4)n23)ccc1-c1c(F)cccc1F,LORAANVHYXYDEZ-UHFFFAOYSA-N,4,1,0.343,14,358,454.444,4.319,5,0.422,0.73,1.0,0.0982540607223631,0.1276643136179837,0.7668340072647523,0.7388372969638819,0.43289741964224526
EOS-4-04452,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cc(F)c(Cl)nn5)n34)c2)nc1,YSPFXTGWOLSYLK-UHFFFAOYSA-N,4,1,0.455,2,491,453.8,2.944,5,0.396,0.64,1.0,0.6239377013227332,0.6808906175039408,0.4789681995750805,0.532160235761771,0.5789891885408813
EOS-4-04453,Fc1ccc(NCOc2cncc3nnc(-c4ccc(-c5nncs5)c(F)c4)n23)cc1,YTOZNYJPYZDTDW-UHFFFAOYSA-N,4,1,0.466,34,629,437.435,4.036,5,0.401,0.68,1.0,0.8175073675553424,0.6616064697416215,0.7174456856966623,0.6896545815913919,0.7215535261462546
EOS-4-04454,Fc1nc(-c2ccco2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,VDFABMXNFLECFH-UHFFFAOYSA-N,4,1,0.542,58,28,436.834,4.255,5,0.367,0.7,1.0,0.8978394215612364,0.8398242067027619,0.6670721677746556,0.6841803166335412,0.7722290281680488
EOS-4-04455,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)cn1,OBMLWQCWMSMIIR-UHFFFAOYSA-N,4,1,0.61,75,496,413.416,3.404,5,0.394,0.76,1.0,0.8282074566513604,0.6908625179905421,0.6118583373312316,0.5680299499691591,0.6747395654855733
EOS-4-04456,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C(F)F)n4)n23)ccc1-c1cscn1,BPMBUEAQJCRCPN-UHFFFAOYSA-N,4,1,0.5,4,61,484.463,4.974,5,0.322,0.61,1.0,0.8229730655883764,0.8593225275854979,0.8564012062230142,0.7226972106092797,0.8153485025015421
EOS-4-04457,CCc1nc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1-c1cncc(F)c1,YLFXUHLQBUXHJH-UHFFFAOYSA-N,4,1,0.366,46,717,464.411,3.597,5,0.351,0.58,0.996,0.6685114111438558,0.6616150366664382,0.503066959084367,0.48606161332328146,0.5798137550544856
EOS-4-04459,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(Cl)c4)n23)n1,CRMHFOXJRLOXBU-UHFFFAOYSA-N,4,1,0.452,47,164,441.789,2.877,5,0.413,0.59,1.0,0.7735076416969364,0.7981375505448565,0.5375830991707217,0.5808889041189774,0.6725292988828729
EOS-4-04460,CCc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1-c1ncccn1,UVXYHYZVTHSBFS-UHFFFAOYSA-N,4,1,0.426,46,445,463.423,4.202,5,0.349,0.7,0.892,0.7735162086217532,0.7149612774998286,0.6970992392570763,0.6781834692618738,0.7159400486601328
EOS-4-04461,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nc4)n23)cn1,VGCUJPNXJGQSQN-UHFFFAOYSA-N,4,1,0.43,66,455,427.39,2.941,4,0.526,0.85,1.0,0.27743129326297034,0.37837536837776714,0.7047409361935439,0.4646014666575286,0.4562872661229525
EOS-4-04462,N#Cc1cc(F)cc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)c1,NDWAQFBQHZBXBJ-UHFFFAOYSA-N,4,1,0.31,45,581,412.363,3.46,5,0.447,0.67,0.999,0.2617623877732849,0.3736207251045165,0.8021040367349737,0.8786066753478171,0.5790234562401481
EOS-4-04463,Fc1cnc(-c2cnnc(-c3cncc4nnc(-c5nccnc5-c5ccc(F)c(F)c5)n34)c2)nn1,BYVWZSITBILLAM-UHFFFAOYSA-N,4,1,0.299,39,972,485.393,2.975,6,0.367,0.59,0.667,0.31254711808649166,0.4116236035912549,0.4038534027825372,0.5118480570214515,0.40996804537043385
EOS-4-04464,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ccsn5)nc4)n23)cc1F,FLNGPZZHBZYHRE-UHFFFAOYSA-N,4,1,0.694,59,294,422.42,4.167,5,0.423,0.71,1.0,0.807329860873141,0.7939054896854225,0.8102511822356246,0.7976149681310397,0.802275375231307
EOS-4-04465,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1F,UEIJUDOBGFFMCG-UHFFFAOYSA-N,4,1,0.383,66,685,470.43,4.059,5,0.43,0.84,1.0,0.2803954492495374,0.41626687684188884,0.7978719758755397,0.7517390857377836,0.5615683469261874
EOS-4-04467,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1OC(F)F,QKXZFMZNHZQMOU-UHFFFAOYSA-N,4,1,0.375,0,188,453.424,4.399,5,0.468,0.87,1.0,0.5900897813720787,0.759929065862518,0.8341015009252278,0.8330906037968611,0.7543027379891714
EOS-4-04468,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c(F)c1,GVITZWGGRBAGAH-UHFFFAOYSA-N,4,1,0.55,24,912,422.42,4.167,5,0.423,0.68,1.0,0.7934857103694058,0.7008258515523268,0.7572304845452676,0.7517476526626002,0.7508224247824001
EOS-4-04469,N#Cc1cc(-c2nnc3cncc(-c4cnc(-c5cccnc5)cn4)n23)ccc1Br,PHMCPFNQZOFRLO-UHFFFAOYSA-N,4,1,0.372,82,216,455.279,3.944,5,0.406,0.77,1.0,0.2942224659036392,0.4517682132821602,0.717454252621479,0.7363700226166815,0.54995373860599
EOS-4-04470,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)ccn1,ITKUKJZATXLEJZ-UHFFFAOYSA-N,4,1,0.542,35,143,452.902,4.724,5,0.347,0.66,1.0,0.8583116304571311,0.892536495099719,0.6834349941744912,0.717428551847029,0.7879279178945926
EOS-4-04472,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3cc(F)cnc3F)n12,KQLDKGOZKADHPL-UHFFFAOYSA-N,4,1,0.451,97,666,447.43,4.039,5,0.375,0.72,1.0,0.847148927421013,0.7939140566102392,0.8233328764306764,0.7907014598039888,0.8137743300664795
EOS-4-04473,CNC(=O)c1ccc(-c2nnc3cncc(C(F)c4ccc(F)nc4)n23)cc1Cl,KWSRZEATFFMFLD-UHFFFAOYSA-N,4,1,0.415,66,225,414.803,3.397,4,0.517,0.75,1.0,0.315040093208142,0.4162754437667055,0.9163696799396889,0.8828901377561511,0.6326438386676718
EOS-4-04474,Fc1cnc(-c2cc(-c3nnc4cncc(-c5ccc(-c6cncnn6)cn5)n34)ccc2Cl)nc1,RQSACDILLLICJS-UHFFFAOYSA-N,4,1,0.329,94,902,482.87,3.955,6,0.367,0.67,1.0,0.3743746144883833,0.5190785415667192,0.567747241450209,0.6406260708656021,0.5254566170927284
EOS-4-04475,Fc1cncc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)n5)n34)c2)c1,XYIGNFUDKAXBOR-UHFFFAOYSA-N,4,1,0.518,2,419,417.379,3.501,5,0.404,0.71,1.0,0.5728445617161264,0.5947758892467959,0.7620879309163183,0.7569220752518676,0.6716576142827771
EOS-4-04476,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4Cl)n23)cn1,UXDIYKAMOQGRTP-UHFFFAOYSA-N,4,1,0.523,58,262,465.304,3.967,5,0.347,0.62,1.0,0.8779041875128504,0.8792063600849839,0.4180659310533891,0.4982437804125831,0.6683550647659515
EOS-4-04477,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(-c5ccccn5)c4)n23)cc1F,MDRUQGNHKLUDMM-UHFFFAOYSA-N,4,1,0.402,14,358,457.444,3.843,5,0.401,0.86,1.0,0.2968953464464396,0.26960969090535264,0.7280686724693304,0.67510794325269,0.4924204132684531
EOS-4-04478,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(CN(C)C)c(F)c4Cl)n23)cc1F,DIQHWVSUNXGPFY-UHFFFAOYSA-N,4,1,0.341,0,129,456.884,3.811,4,0.494,0.82,1.0,0.4535844013432938,0.42963127955589064,0.8564097731478308,0.7767802069769035,0.6291014152559797
EOS-4-04479,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4C(F)F)n23)c(F)c1,VWZWVCRJBYUNKD-UHFFFAOYSA-N,4,1,0.379,0,999,457.843,5.081,5,0.453,0.87,0.848,0.4011034199163868,0.6138201631142485,0.9163782468645055,0.9460969090535262,0.7193496847371668
EOS-4-04480,Cn1cnc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)cc1=O,PIFPXBGWZNRPDM-UHFFFAOYSA-N,4,1,0.427,13,724,467.823,3.671,5,0.397,0.65,1.0,0.6129377698581318,0.6519258446987869,0.7668425741895689,0.7671424165581523,0.6997121513261599
EOS-4-04481,N#Cc1ccc(-c2nnc3cncc(CNc4ccc(-c5nncs5)c(F)c4)n23)cc1F,HIZVJQUFKQQTHZ-UHFFFAOYSA-N,4,1,0.38,14,471,446.446,4.072,5,0.434,0.76,1.0,0.30195839901309024,0.3542509080940306,0.8059420190528408,0.7885083270509218,0.5626649133027208
EOS-4-04482,Cc1nc(-c2nnc3cncc(COc4cnc(Cl)nc4)n23)ccc1-c1cccc(F)n1,DBLAVQGIVRBOHM-UHFFFAOYSA-N,4,1,0.333,85,920,448.849,3.718,5,0.296,0.65,1.0,0.6383215680899185,0.5698461380302926,0.4548094715920773,0.44591700363237613,0.5272235453361662
EOS-4-04483,Cn1cncc1-c1cc(F)c(-c2nnc3cncc(OCc4cncc(F)c4)n23)cc1Cl,JATCCJYRJFKWQS-UHFFFAOYSA-N,4,1,0.466,73,772,453.84,4.097,5,0.398,0.63,1.0,0.762250702487835,0.7285998218079638,0.8907888424371188,0.8858457268179014,0.8168712733877048
EOS-4-04484,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5cscn5)ccn4)n23)c1,TYGMDIWLAOXGJI-UHFFFAOYSA-N,4,1,0.448,59,692,422.42,4.167,5,0.423,0.75,1.0,0.5841614693989445,0.5097919950654513,0.8021126036597903,0.8019412651634569,0.6745018333219107
EOS-4-04485,Fc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)c1,OYBROHJOZLPUSO-UHFFFAOYSA-N,4,1,0.495,65,904,432.394,2.938,5,0.403,0.63,1.0,0.8606932355561647,0.8593310945103145,0.57442944280721,0.5712082790761428,0.7164155129874581
EOS-4-04486,Cc1nccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c(F)c1,DZIVWCVLUJJKSM-UHFFFAOYSA-N,4,1,0.551,35,626,445.433,3.851,5,0.367,0.7,1.0,0.9382496059214585,0.889623740662052,0.6755105887190734,0.6258138578575835,0.7822994482900418
EOS-4-04487,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)c1F,HPAGJNSAKCQXHF-UHFFFAOYSA-N,4,1,0.516,47,164,454.828,3.525,5,0.391,0.65,1.0,0.8962117058460695,0.8994671372764033,0.7507624563086834,0.7647351106846686,0.8277941025289561
EOS-4-04488,Fc1ccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5nncs5)c4)n23)c(F)c1,XGYLKUISEZYHSY-UHFFFAOYSA-N,4,1,0.506,59,389,457.853,4.215,5,0.365,0.68,0.998,0.7792217805496539,0.8256202453567267,0.7507710232335001,0.8083150572270578,0.7909820265917346
EOS-4-04490,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,LVDMRDTUVAJUQH-UHFFFAOYSA-N,4,1,0.523,37,202,447.861,4.057,5,0.387,0.62,1.0,0.877912754437667,0.9338290727160579,0.7530412583099171,0.7838564868754712,0.8371598930847782
EOS-4-04492,Cc1cc(F)nc(COc2cncc3nnc(-c4ccnc(-c5ccccc5F)c4)n23)n1,QJJSOTREPFHZPR-UHFFFAOYSA-N,4,1,0.451,97,183,431.406,3.809,5,0.391,0.69,1.0,0.7203584401343294,0.6808991844287574,0.5868257830169282,0.5868857514906449,0.643742289767665
EOS-4-04493,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)cc1F,DAKLIMUZZXRRBM-UHFFFAOYSA-N,4,1,0.462,73,526,438.373,2.978,5,0.389,0.66,1.0,0.7474299225549996,0.6759560688095402,0.6971078061818929,0.6520714824206703,0.6931413199917759
EOS-4-04495,Fc1cc(CCOc2cncc3nnc(-c4cccnc4-c4ccncn4)n23)ccn1,FIBBCNQGKPBSMS-UHFFFAOYSA-N,4,1,0.494,75,578,414.404,2.799,5,0.391,0.61,1.0,0.814937290110342,0.7427952162291823,0.3744345829620999,0.35692378863683094,0.5722727194846138
EOS-4-04496,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)c1,IPVOYXSGGJJECR-UHFFFAOYSA-N,4,1,0.518,35,143,436.447,4.21,5,0.371,0.67,1.0,0.8303748886299774,0.8295010622986773,0.6698564183400727,0.6751165101775067,0.7512122198615585
EOS-4-04498,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cn2)ncc1F,BCOPPYPCVPUTNU-UHFFFAOYSA-N,4,1,0.467,73,930,450.384,3.343,5,0.376,0.68,1.0,0.7139675142210952,0.8064131999177575,0.5641405661023919,0.5321688026865876,0.6541725207319582
EOS-4-04499,Cc1cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1Cl,HVQRSUAJZWLURN-UHFFFAOYSA-N,4,1,0.562,90,281,401.804,4.048,4,0.505,0.77,1.0,0.9393033376739086,0.9689791652388459,0.9058066616407374,0.9121290521554383,0.9315545541772325
EOS-4-04500,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cscn1,QIOGRQSRRGBMFK-UHFFFAOYSA-N,4,1,0.578,1,383,433.468,4.642,5,0.388,0.77,1.0,0.9306850113083408,0.8433623466520458,0.795464670002056,0.7122027277088616,0.820428688917826
EOS-4-04502,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)c1,WMXMBWSBSFWKHQ-UHFFFAOYSA-N,4,1,0.59,35,300,429.871,3.918,5,0.404,0.76,1.0,0.9583733123158111,0.9382239051470084,0.5442567336029059,0.5615105201836749,0.7505911178123501
EOS-4-04503,O=C(NCCF)c1ccc(-c2nnc3cncc(CNc4cc(F)ccc4F)n23)cc1,BRPYOLJXOQJEGD-UHFFFAOYSA-N,4,1,0.436,48,678,426.402,3.381,4,0.473,0.89,1.0,0.37897505311493385,0.4343088205057912,0.6755191556438901,0.6049105613049139,0.5234283976423822
EOS-4-04504,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnc[nH]5)cc4Cl)n23)ccn1,OSJLVNDVESLSLL-UHFFFAOYSA-N,4,1,0.557,37,626,436.838,3.385,5,0.406,0.63,1.0,0.8495390994448633,0.8433709135768624,0.6590963607703378,0.6896631485162086,0.7604173805770681
EOS-4-04506,Fc1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ccc1-c1ncon1,RTMMWUREBUHMDF-UHFFFAOYSA-N,4,1,0.578,73,265,439.357,3.275,5,0.397,0.66,1.0,0.9057980947159208,0.8064217668425742,0.7715372489891029,0.7595435542457679,0.8108251661983414
EOS-4-04507,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)ccn1,FTADLPSUJUYOIS-UHFFFAOYSA-N,4,1,0.588,35,352,413.416,3.404,5,0.394,0.75,1.0,0.9491895689123432,0.9382324720718251,0.6323932561167843,0.5868943184154616,0.7766774038791036
EOS-4-04508,Fc1cnc(-c2cscn2)cc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,ZWXYZYNPONHMJE-UHFFFAOYSA-N,4,1,0.5,58,698,455.425,3.744,5,0.36,0.65,1.0,0.7962442601603729,0.8398327736275787,0.707242478240011,0.6927900760742923,0.7590273970255637
EOS-4-04509,Fc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c(F)n2)c1,PNGBMZVVCDYTQF-UHFFFAOYSA-N,4,1,0.5,53,271,433.382,2.333,5,0.372,0.59,1.0,0.8495476663696799,0.8218764992118429,0.3704252621478994,0.3893667329175519,0.6078040401617435
EOS-4-04510,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1nn[nH]n1,AKDWWFJVEXIRIS-UHFFFAOYSA-N,4,1,0.512,47,6,441.789,2.877,5,0.413,0.73,1.0,0.8962202727708861,0.8256288122815434,0.714875608251662,0.7492975121650333,0.7965055513672812
EOS-4-04511,Fc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)ccc1-c1nc[nH]n1,YCLWPSBPYCKHJP-UHFFFAOYSA-N,4,1,0.494,47,164,439.361,3.022,5,0.429,0.56,1.0,0.6778493591940237,0.7333972997052978,0.6724950311836063,0.6018350352957302,0.6713941813446646
EOS-4-04513,Fc1ncc(-c2cc(-c3nnc4cncc(-c5cnc(-c6cccnc6)cn5)n34)ccn2)cn1,UFMUAZBQDZIJSX-UHFFFAOYSA-N,4,1,0.329,86,790,448.425,3.301,6,0.374,0.7,1.0,0.24035364265643205,0.32993797546432735,0.44027140017819205,0.4270697690357069,0.35940819683366454
EOS-4-04514,COc1ncc(F)cc1-c1nnc2cncc(OCCc3cc(F)c(Cl)cn3)n12,QRSXUTKDCBGPEV-UHFFFAOYSA-N,4,1,0.494,90,281,418.791,3.143,4,0.475,0.67,1.0,0.7170773079295456,0.6566290864231376,0.6387070797066685,0.6203909944486328,0.6582011171269961
EOS-4-04515,Cc1cnc(Cl)cc1COc1cncc2nnc(-c3ccc(F)c(-c4cccnn4)c3)n12,FALHRAHCXTYCSO-UHFFFAOYSA-N,4,1,0.506,72,772,447.861,4.323,5,0.37,0.72,1.0,0.9074258104310876,0.8593396614351313,0.8002021794256734,0.7907100267288054,0.8394194195051745
EOS-4-04516,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c(Cl)cn1,BYWMVBOSCWOUAA-UHFFFAOYSA-N,4,1,0.528,47,164,454.828,3.525,5,0.391,0.6,1.0,0.9189740250839559,0.9085823452813379,0.7572390514700843,0.7793759851963539,0.8410428517579329
EOS-4-04517,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nc4F)n23)ccn1,WJQGXYHAUWJHKA-UHFFFAOYSA-N,4,1,0.517,58,271,432.394,2.938,5,0.377,0.68,1.0,0.9026283325337536,0.8680265231992325,0.5100918374340346,0.49208416146939893,0.6932077136591049
EOS-4-04519,CCc1nc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1cccnc1,JMEGCESSZPYBHY-UHFFFAOYSA-N,4,1,0.426,59,109,444.445,4.668,5,0.379,0.75,0.986,0.6440185730930026,0.6186005071619491,0.7736875471180865,0.7620793639915016,0.6995964978411349
EOS-4-04520,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)c(F)c1F,XEANKTBBLFOPJQ-UHFFFAOYSA-N,4,1,0.529,90,133,428.374,2.585,4,0.475,0.7,0.998,0.6129463367829484,0.5418408608046056,0.7072510451648276,0.614377013227332,0.6191038139949284
EOS-4-04523,Fc1cnc(Oc2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)nc1,KOSBIVKXTZPTSI-UHFFFAOYSA-N,4,1,0.691,11,796,429.415,3.529,5,0.387,0.75,1.0,0.9393119045987253,0.8362517990542115,0.42174114179973954,0.34089507230484545,0.6345499794393804
EOS-4-04524,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)cc3F)n12,LSQOYCHVSSUERW-UHFFFAOYSA-N,4,1,0.58,35,161,436.447,4.21,5,0.397,0.71,1.0,0.8495562332944966,0.8816993352066342,0.7891936810362552,0.7815005825508875,0.8254874580220684
EOS-4-04526,C#Cc1ccc(COc2cncc3nnc(-c4cncc(-c5ccc(Cl)cn5)c4)n23)cn1,BNUWIJPJGHBGTC-UHFFFAOYSA-N,4,1,0.506,2,422,439.866,3.857,5,0.384,0.68,1.0,0.7233482968953464,0.7057089986978274,0.7333887327804811,0.7064543211568776,0.717225087382633
EOS-4-04527,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c1,ORRIRQQAPRQBKE-UHFFFAOYSA-N,4,1,0.527,35,76,452.902,4.724,5,0.347,0.62,1.0,0.8758823932561168,0.9065862517990542,0.6971163731067096,0.7388458638886986,0.8046077205126447
EOS-4-04528,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)ccc2F)n1,YAKBMTOSVIFZAN-UHFFFAOYSA-N,4,1,0.537,73,980,438.373,2.978,5,0.416,0.69,1.0,0.7905472551572887,0.6956342951134261,0.7668511411143856,0.7466760331711328,0.7499271811390583
EOS-4-04529,Cn1cnnc1-c1ccc(-c2nnc3cncc(COc4ccc(F)cc4F)n23)cc1F,TXTLOJXQHJJWTH-UHFFFAOYSA-N,4,1,0.417,34,252,437.385,3.583,5,0.418,0.7,1.0,0.5645003769446919,0.6712014255362895,0.8269309848536769,0.82486635597286,0.7218747858268795
EOS-4-04530,Fc1cnccc1CCOc1cncc2nnc(-c3cccnc3-c3ncccn3)n12,OPWUTPJSHGKIPG-UHFFFAOYSA-N,4,1,0.511,75,262,414.404,2.799,5,0.418,0.63,1.0,0.7934942772942225,0.7558940442738674,0.2856298403125214,0.2908470975258721,0.5314663148516209
EOS-4-04531,Fc1ccc(-c2ncnnc2-c2nnc3cncc(Br)n23)cc1-c1cccnn1,JBOAKGRIPISESB-UHFFFAOYSA-N,4,1,0.427,22,356,450.235,3.002,5,0.413,0.76,0.904,0.19081968336645877,0.21842231512576246,0.3072698923994243,0.4459255705571928,0.29060936536220955
EOS-4-04532,Cc1nc(Oc2cncc3nnc(-c4cc(Cl)cc(-c5cncnn5)c4)n23)ccc1F,YPKRSKFOPOYNOS-UHFFFAOYSA-N,4,1,0.383,13,706,434.822,3.932,5,0.419,0.69,1.0,0.738134809128915,0.7008344184771435,0.6670807346994723,0.6663696799396889,0.693104910561305
EOS-4-04533,Fc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1ncon1,WNHHVBCWVZJRQL-UHFFFAOYSA-N,4,1,0.565,35,325,439.357,3.275,5,0.371,0.64,1.0,0.8853745459529847,0.82563737920636,0.7596292234939346,0.7336029059008978,0.8010610136385443
EOS-4-04534,Fc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ccnc(Br)c3)n12,LHPPYPKOUPJZPO-UHFFFAOYSA-N,4,1,0.529,35,143,492.312,4.166,5,0.329,0.65,1.0,0.8816307998081009,0.8870622301418682,0.6060670961551642,0.5869028853402782,0.7404157528613529
EOS-4-04535,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)cn2)nc1,DBQNRGNACJNPFC-UHFFFAOYSA-N,4,1,0.531,55,16,431.406,3.809,5,0.418,0.75,1.0,0.8255260091837434,0.7899904050442054,0.6862192447399081,0.6548300322116373,0.7391414227948736
EOS-4-04536,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)c(F)c1,KIYNNLYIWDIORE-UHFFFAOYSA-N,4,1,0.467,36,908,452.4,3.461,5,0.364,0.67,1.0,0.7324463710506477,0.7195103145774793,0.644858131725036,0.6318192721540675,0.6821585223768076
EOS-4-04537,Clc1ccccc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3Cl)n12,TUYSENUOPBCDBM-UHFFFAOYSA-N,4,1,0.506,47,521,438.278,4.462,5,0.436,0.78,1.0,0.8098399698444246,0.8433794805016791,0.8059505859776575,0.8683863340415324,0.8318890925913234
EOS-4-04538,Cc1ncc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)ccc2F)cn1,XMOXIAGFIOYBKB-UHFFFAOYSA-N,4,1,0.495,4,253,472.871,4.195,5,0.374,0.72,0.996,0.8073384277979576,0.9276523199232404,0.7932544033993557,0.7744071688026866,0.8256630799808101
EOS-4-04539,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(Cl)n5)n34)c(F)n2)nc1,JBERAAIQSUBXHI-UHFFFAOYSA-N,4,1,0.463,58,954,466.839,3.591,5,0.35,0.63,1.0,0.8738177643752998,0.9105955726132547,0.45481803851689395,0.5217599890343362,0.6902478411349462
EOS-4-04541,CC(F)(F)c1ncc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cn1,FLEZNGXAUXNCBX-UHFFFAOYSA-N,4,1,0.358,78,169,453.428,3.735,5,0.468,0.86,0.997,0.16279727229113838,0.23902576930984853,0.0594801590021246,0.16142656432047153,0.15568244123089575
EOS-4-04542,N#Cc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ncc(F)cn3)n12,RQTVUWXXJRYVPA-UHFFFAOYSA-N,4,1,0.484,35,795,438.426,3.276,5,0.397,0.67,1.0,0.9104842025906381,0.8622524158727983,0.49604208073469946,0.5052172572133506,0.6934989891028717
EOS-4-04543,N#Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cnsc5)c4)n23)cn1,TZJUTVREXPLUGG-UHFFFAOYSA-N,4,1,0.585,97,214,429.44,3.9,5,0.417,0.75,1.0,0.8229816325131931,0.7728479884860531,0.8214652868206429,0.7861267219518882,0.8008554074429444
EOS-4-04544,COc1cc(-c2nnc3cncc(OCCCc4ccccc4F)n23)ccc1-c1ccsc1,WOSJRBOXCPDXQY-UHFFFAOYSA-N,4,1,0.6,91,955,460.534,5.679,5,0.279,0.7,1.0,0.9372130080186416,0.8680350901240491,0.7892022479610719,0.7439346172297991,0.8345962408333905
EOS-4-04545,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccsn5)nc4)n23)c1F,WNPJPXGFQMGWHM-UHFFFAOYSA-N,4,1,0.531,24,910,422.42,4.167,5,0.423,0.7,1.0,0.7413474059351655,0.7241021862792132,0.7954732369268728,0.7885168939757384,0.7623599307792475
EOS-4-04546,Fc1ncc(F)c(COc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)n1,VZQAAFFRSAHIGU-UHFFFAOYSA-N,4,1,0.465,2,419,423.408,3.562,5,0.399,0.68,1.0,0.6383301350147351,0.57460934822836,0.5641491330272086,0.5615190871084915,0.5846519258446988
EOS-4-04547,Fc1ncccc1CCOc1cncc2nnc(-c3cc(Cl)nc(-c4c[nH]cn4)c3)n12,HDDFOKAEKIQKMB-UHFFFAOYSA-N,4,1,0.495,58,271,436.838,3.385,5,0.406,0.63,1.0,0.817515934480159,0.7981461174696731,0.5375916660955383,0.5615276540333082,0.6786953430196697
EOS-4-04548,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3Cl)n12,QKTNTIYETNYYAX-UHFFFAOYSA-N,4,1,0.541,35,143,437.822,3.65,5,0.371,0.65,1.0,0.7735247755465698,0.7686930299499691,0.5837416900829279,0.6018436022205469,0.6819507744500034
EOS-4-04550,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4c(F)cc(F)cc4F)n23)cc1F,FFZLEVQKBQTWPE-UHFFFAOYSA-N,4,1,0.348,23,188,427.361,3.907,5,0.502,0.88,1.0,0.3812538551161675,0.4965389623740662,0.842222945651429,0.9098074155301213,0.657455794667946
EOS-4-04551,Fc1cncc(CCOc2cncc3nnc(-c4cnnc(-c5cncnc5)c4)n23)c1F,LOWLVYOTMKKTSF-UHFFFAOYSA-N,4,1,0.459,65,778,433.382,2.333,5,0.398,0.44,1.0,0.7262696182578302,0.6616236035912549,0.5408385306010555,0.5251610581865533,0.6134732026591735
EOS-4-04553,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccccn1,NTZATCJJZWFOKK-UHFFFAOYSA-N,4,1,0.543,11,275,453.893,4.395,5,0.375,0.64,0.998,0.9664604893427455,0.9536101021177438,0.7435062709889658,0.7595521211705846,0.85578224590501
EOS-4-04554,FC(F)c1cc(-c2cncnn2)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,VDLZXTHBRXWZSZ-UHFFFAOYSA-N,4,1,0.424,51,196,467.827,3.603,5,0.369,0.62,1.0,0.6958142005345761,0.6759646357343568,0.7333972997052978,0.7174371187718457,0.7056533136865191
EOS-4-04555,Clc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3cncnc3)n12,WUXPLBZWUVOBFM-UHFFFAOYSA-N,4,1,0.512,65,361,430.859,3.313,5,0.378,0.73,1.0,0.75033411006785,0.8064303337673908,0.3928791720923857,0.430085326571174,0.5949322356247001
EOS-4-04556,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3F)n12,HBYZIXOADGTTII-UHFFFAOYSA-N,4,1,0.528,37,161,419.395,3.476,5,0.453,0.69,1.0,0.8630405729559317,0.8398413405523953,0.7807723939414708,0.7697210609279693,0.8133438420944418
EOS-4-04557,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)ccnc5F)n34)ccc2F)cc1=O,LMNUXYJPMQQOOU-UHFFFAOYSA-N,4,1,0.484,59,605,465.395,2.943,5,0.368,0.65,1.0,0.6958227674593928,0.5947844561716127,0.8059591529024741,0.7885254609005551,0.7212729593585085
EOS-4-04558,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)c1,NZYOYLJETXFEIF-UHFFFAOYSA-N,4,1,0.489,34,712,441.398,3.701,5,0.384,0.77,1.0,0.704792337742444,0.789998971969022,0.7409790281680488,0.7466846000959496,0.7456137344938661
EOS-4-04559,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3F)n12,HBAGFJQDFBQKMT-UHFFFAOYSA-N,4,1,0.524,35,143,421.367,3.136,5,0.385,0.67,1.0,0.8471574943458297,0.7241107532040298,0.5307295593173874,0.49522822287711604,0.6493065074360908
EOS-4-04560,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cccnn5)c4)n23)c1,BSUKNUVCOYTNOR-UHFFFAOYSA-N,4,1,0.538,11,490,431.406,3.543,5,0.406,0.69,1.0,0.8946011239805359,0.894909533273936,0.6997207182509766,0.7148327736275787,0.8010160372832568
EOS-4-04561,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nc4F)n23)c1,ZEWQCHWHXVVEKW-UHFFFAOYSA-N,4,1,0.5,58,271,432.394,2.938,5,0.377,0.66,0.999,0.8891439928723186,0.8433880474264958,0.48933417860324857,0.49209272839421564,0.6784897368240697
EOS-4-04562,Fc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ccn3)n12,FXIAKQBGORBFGR-UHFFFAOYSA-N,4,1,0.528,11,0,436.834,4.255,5,0.393,0.68,1.0,0.879771777122884,0.8433966143513124,0.728077239394147,0.7647436776094853,0.8039973271194572
EOS-4-04563,Fc1ccc(-c2ncncc2-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)nc1,SLALLYILXQXBAT-UHFFFAOYSA-N,4,1,0.31,85,362,420.799,2.212,5,0.43,0.66,0.999,0.3373912000548283,0.339772805153862,0.1477280515386197,0.2612055376602015,0.2715243986018778
EOS-4-04564,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(C)NC(C)=O)c(F)c4)n23)c(F)c1F,NOYOXALNTUIGGC-UHFFFAOYSA-N,4,1,0.333,0,129,468.439,3.432,4,0.467,0.78,1.0,0.3967514221095196,0.38778185182646835,0.8535655541086972,0.6781920361866904,0.5790727160578439
EOS-4-04565,Fc1ccnc(CCOc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1F,RSWAQAXGJVNNRH-UHFFFAOYSA-N,4,1,0.464,87,307,431.406,3.543,5,0.406,0.62,0.999,0.7650520869028853,0.6859194023713248,0.632401823041601,0.6377047495031184,0.6802695154547324
EOS-4-04566,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cn2)cn1,QYSXDNLWVSWIIX-UHFFFAOYSA-N,4,1,0.456,55,283,432.394,3.204,5,0.39,0.64,1.0,0.8175245014049757,0.7514649441436502,0.5774621341923103,0.5017819203618669,0.6620583750257008
EOS-4-04567,Fc1cc(-c2cscn2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,UQTPREAYEJKVLN-UHFFFAOYSA-N,4,1,0.553,35,161,436.447,4.21,5,0.397,0.7,1.0,0.680830649030224,0.6956428620382428,0.7807809608662875,0.7744157357275032,0.7329175519155644
EOS-4-04568,Fc1cc(F)nc(COc2cncc3nnc(-c4ccnc(-c5ccc(Cl)nc5)n4)n23)c1,MIRZKPZGBUDWDD-UHFFFAOYSA-N,4,1,0.426,46,959,452.812,3.549,5,0.373,0.69,0.991,0.5900983482968953,0.6956514289630594,0.6149252964155987,0.6636282639983552,0.6410758344184772
EOS-4-04569,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c(F)n2)nn1,HCTMCSVLCMBMNJ-UHFFFAOYSA-N,4,1,0.494,58,271,433.382,2.333,5,0.372,0.58,1.0,0.8518179014460969,0.810139812213008,0.3480313206771297,0.3537026249057638,0.5909229148104995
EOS-4-04571,Fc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,CEICINGCYIQADU-UHFFFAOYSA-N,4,1,0.484,58,143,448.849,3.452,5,0.287,0.66,1.0,0.7680076759646357,0.8561270646288808,0.4289459255705572,0.4553149201562607,0.6270988965800836
EOS-4-04572,Fc1cccnc1-c1cncc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)c1,WVCWXVIDKIETBF-UHFFFAOYSA-N,4,1,0.458,87,307,448.849,3.452,5,0.364,0.61,1.0,0.8229901994380098,0.7939226235350558,0.4510657254471935,0.4952367898019327,0.6408038345555479
EOS-4-04573,Fc1ccnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)nc5)n34)nn2)c1,ROPKFACXJRQUMM-UHFFFAOYSA-N,4,1,0.363,13,706,420.795,3.623,5,0.406,0.72,0.993,0.692618737577959,0.8256459461311767,0.5710112398053595,0.6286495099719005,0.679481358371599
EOS-4-04574,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4F)n23)ccc1F,ZWXCBAIGQADEHY-UHFFFAOYSA-N,4,1,0.467,4,702,430.378,3.305,5,0.454,0.64,1.0,0.8255345761085601,0.8256545130559935,0.80021074635049,0.769729627852786,0.8052823658419574
EOS-4-04575,COCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,VVQHAFAKXYXDSS-UHFFFAOYSA-N,4,1,0.558,90,400,430.295,4.261,4,0.436,0.72,1.0,0.8229987663628264,0.8925450620245357,0.8102597491604414,0.8248749228976766,0.83766962511137
EOS-4-04576,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1C#N,DWTQYKGFYSRCOV-UHFFFAOYSA-N,4,1,0.769,48,378,450.861,3.437,4,0.482,0.74,1.0,0.867289767664999,0.5746179151531766,0.8486567061887464,0.7976235350558564,0.7720469810156946
EOS-4-04577,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)c(F)c4)n23)cn1,NCNOUDWNMGBTJW-UHFFFAOYSA-N,4,1,0.593,35,4,427.443,3.712,5,0.408,0.77,1.0,0.9120262490576383,0.8870707970666849,0.5964721403604962,0.5516499897196903,0.7368047940511275
EOS-4-04578,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)n1,RGSXSWWRAPDWSB-UHFFFAOYSA-N,4,1,0.436,47,164,441.789,2.877,5,0.413,0.67,1.0,0.7262781851826469,0.7939311904598725,0.5341734630936879,0.5743951751079432,0.6571945034610376
EOS-4-04579,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)c(F)c4)n23)ccn1,OKPMFXMFOVJZMW-UHFFFAOYSA-N,4,1,0.562,37,626,419.395,3.476,5,0.424,0.58,1.0,0.9409053526146255,0.8817079021314509,0.7852700294702214,0.764752244534302,0.8431588821876499
EOS-4-04580,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)c1,XPDQQXFHFSDRNA-UHFFFAOYSA-N,4,1,0.518,35,143,437.822,3.65,5,0.371,0.63,1.0,0.820274484271126,0.7939397573846891,0.5545284764580906,0.5839387293537112,0.6881703618669042
EOS-4-04581,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)ccn1,XGRLCOPXPBAUOS-UHFFFAOYSA-N,4,1,0.61,35,300,413.416,3.404,5,0.394,0.75,1.0,0.9646785689808787,0.9382410389966418,0.5641576999520252,0.5083955863203344,0.7438682235624701
EOS-4-04582,Fc1cnc(-c2ccc(Oc3cncc4nnc(-c5cnc(Cl)nc5)n34)nn2)nc1,SNYMHJOZYMJSLF-UHFFFAOYSA-N,4,1,0.344,51,434,422.771,2.413,5,0.398,0.68,0.995,0.6383387019395518,0.6908710849153588,0.18594510314577478,0.2317181824412309,0.4367182681104791
EOS-4-04583,Clc1ccc(-c2nccnc2-c2nnc3cncc(-c4cnc(-c5ccccc5)cn4)n23)nc1,NBHPTLAOYXJGHL-UHFFFAOYSA-N,4,1,0.316,64,114,463.892,4.421,6,0.378,0.65,1.0,0.18800116510177506,0.2955674730998561,0.3220478377081763,0.4679511342608457,0.3183919025426633
EOS-4-04584,N#Cc1cc(-c2ccc(F)cn2)cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)c1,FXJIVVRVKHCJND-UHFFFAOYSA-N,4,1,0.484,11,275,472.871,3.929,5,0.341,0.67,1.0,0.9318758138578576,0.9065948187238709,0.7358388732780481,0.7517562195874169,0.8315164313617984
EOS-4-04585,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cscn4)c3)n12,VZVFCPKZWGBIBW-UHFFFAOYSA-N,4,1,0.566,35,161,436.447,4.21,5,0.397,0.69,1.0,0.887250702487835,0.8709564114865328,0.7913782468645055,0.7838650538002878,0.8333626036597903
EOS-4-04586,Fc1cccc(-c2cnc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)s2)n1,LWGUZPDQURIERJ-UHFFFAOYSA-N,4,1,0.39,85,290,439.426,4.372,5,0.378,0.56,1.0,0.21277671167157838,0.40213145089438695,0.6698649852648894,0.660612706462888,0.4863464635734357
EOS-4-04587,CN(Cc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12)c1ccc(F)c(F)c1,SYSLCLCRBBCPOE-UHFFFAOYSA-N,4,1,0.473,14,189,434.475,4.829,5,0.397,0.74,1.0,0.28852546090055514,0.32095983825645946,0.8307261325474607,0.7767887739017202,0.5542500514015489
EOS-4-04588,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ncc(F)cn5)n34)ccc2F)n1,RKFXHTQIYBEFRN-UHFFFAOYSA-N,4,1,0.471,73,196,432.394,3.204,5,0.417,0.74,1.0,0.8926050304982523,0.8178671783976423,0.44742478240010963,0.417397710917689,0.6438236755534233
EOS-4-04589,Fc1nc(-c2ccsc2)cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)c1F,VPDLBYRRUZKVDS-UHFFFAOYSA-N,4,1,0.483,51,795,471.88,4.258,5,0.342,0.63,1.0,0.842531354944829,0.8330049345486944,0.5239873894866699,0.5960352271948461,0.6988897265437599
EOS-4-04590,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1ccsc1,MJDQWKGIZGFVOI-UHFFFAOYSA-N,4,1,0.74,91,955,446.507,5.289,5,0.34,0.72,1.0,0.9148790350215886,0.8499246110616133,0.8549276951545474,0.797632101980673,0.8543408608046056
EOS-4-04591,CCn1cnnc1-c1cc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1F,UMBTTWMELVKHFQ-UHFFFAOYSA-N,4,1,0.495,36,908,452.4,3.461,5,0.364,0.67,1.0,0.7353334247138648,0.7286083887327804,0.6419196765129189,0.6406346377904187,0.6866240319374958
EOS-4-04592,Cc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1cccnc1,PBSSHGUNISULJI-UHFFFAOYSA-N,4,1,0.511,35,490,444.445,4.456,5,0.385,0.79,1.0,0.832936399150161,0.839849907477212,0.8039630594201905,0.7793845521211706,0.8140334795421835
EOS-4-04593,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nc1,QVIPEHPYBGYGPV-UHFFFAOYSA-N,4,1,0.549,65,262,448.849,3.452,5,0.364,0.68,1.0,0.9162326091426222,0.9396974162154753,0.482489205674731,0.5084041532451511,0.7117058460694949
EOS-4-04595,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cn1,QREGPHQSGUDSGZ-UHFFFAOYSA-N,4,1,0.478,7,817,425.387,2.628,5,0.417,0.69,1.0,0.6716469056267562,0.7728565554108697,0.5575183332191077,0.5052258241381674,0.6268119045987253
EOS-4-04596,O=C(c1cnc(Cc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1)N1CCC(F)(F)CC1,MGFMTANJWVDNEK-UHFFFAOYSA-N,4,1,0.411,78,345,487.873,3.836,5,0.434,0.71,0.985,0.22088102254814612,0.3970940991021863,0.10726646562949764,0.44593413748200944,0.2927939311904599
EOS-4-04597,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3F)n12,OUKRRTNRKJZACY-UHFFFAOYSA-N,4,1,0.541,35,143,436.447,4.21,5,0.371,0.74,1.0,0.785047289424988,0.8140463299294085,0.6943149886916592,0.6927986429991091,0.7465518127612911
EOS-4-04599,COc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1ccccc1F,MTOSXKDTJVVEKM-UHFFFAOYSA-N,4,1,0.578,91,955,446.507,5.289,5,0.34,0.77,1.0,0.9401857309300253,0.8561356315536974,0.8390617503940785,0.7815091494757042,0.8542230655883764
EOS-4-04600,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,CUDCLJGSYHKTIU-UHFFFAOYSA-N,4,1,0.542,35,143,452.902,4.724,5,0.347,0.66,1.0,0.8694914673428826,0.8817164690562675,0.672503598108423,0.7064628880816942,0.7825436056473168
EOS-4-04601,CNC(=O)c1ccc(-c2nnc3cncc(C(F)c4ncc(F)cn4)n23)cc1Cl,OOWWDWFFFXBFCX-UHFFFAOYSA-N,4,1,0.419,68,306,415.791,2.792,4,0.55,0.73,1.0,0.31988040572955934,0.38779041875128506,0.6387156466314852,0.5839472962785278,0.4825834418477143
EOS-4-04602,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)nc3Cl)n12,OCIKQDDFHVAIFS-UHFFFAOYSA-N,4,1,0.506,58,271,448.849,3.452,5,0.364,0.6,1.0,0.8978479884860531,0.9106041395380714,0.45482660544171066,0.5017904872866835,0.6912673051881297
EOS-4-04603,COc1cc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)ccc1-c1cncn1C,PKWMNCYYHKOPFP-UHFFFAOYSA-N,4,1,0.61,13,209,450.861,4.785,5,0.383,0.81,1.0,0.8540795695976973,0.7286169556575971,0.8932304160098691,0.8466777465560962,0.8306511719553149
EOS-4-04604,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3cncc(Cl)c3F)n12,RFTVBTPXFRUIPG-UHFFFAOYSA-N,4,1,0.444,97,772,463.885,4.553,5,0.376,0.64,1.0,0.8379223493934618,0.8218850661366596,0.854936262079364,0.8535826879583305,0.8420815913919539
EOS-4-04605,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)nc1F,HUTSNSKRNJCWSO-UHFFFAOYSA-N,4,1,0.444,55,283,432.394,3.204,5,0.417,0.66,1.0,0.8425399218696457,0.7471300801864162,0.5442653005277226,0.48298608731409776,0.6542303474744705
EOS-4-04606,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1Cl,SMRXMFGJFNXBGP-UHFFFAOYSA-N,4,1,0.571,90,385,405.22,3.649,4,0.472,0.7,1.0,0.8978565554108697,0.9661520800493455,0.7483465835103831,0.8248834898224933,0.8593096771982729
EOS-4-04608,Fc1cccc(Oc2cncc3nnc(-c4cnnc(-c5ccccn5)c4)n23)c1F,SNPZJVDJNNUJRJ-UHFFFAOYSA-N,4,1,0.398,13,251,403.352,3.714,5,0.452,0.6,1.0,0.6129549037077651,0.637122198615585,0.7483551504351997,0.7595606880954012,0.6894982352134877
EOS-4-04609,Cn1cncc1-c1cccc(-c2nnc3cncc(OCc4ccc(COC(F)F)nc4F)n23)c1,IJYSILMCSFFPJK-UHFFFAOYSA-N,4,1,0.463,27,55,481.438,4.044,5,0.309,0.68,0.883,0.6685199780686725,0.6566376533479542,0.887507710232335,0.8083236241518744,0.755247241450209
EOS-4-04610,COc1c(-c2cscn2)ccc(-c2nnc3cncc(OCc4ccc(C#N)cc4)n23)c1F,NGFJGIFRTSKZOO-UHFFFAOYSA-N,4,1,0.5,1,230,458.478,4.513,5,0.369,0.68,1.0,0.8816393667329175,0.84993317798643,0.8486652731135631,0.759569255020218,0.8349517682132821
EOS-4-04611,NC(=O)c1ccc(-c2nnc3cncc(CNc4cc(Cl)ncc4Cl)n23)cc1F,RLDHXQLVNVKOPL-UHFFFAOYSA-N,4,1,0.388,90,678,432.246,3.343,4,0.468,0.78,1.0,0.2669025426632856,0.2746470426975533,0.6997292851757932,0.727897333972997,0.4922940511274073
EOS-4-04612,Fc1cc(-c2cnco2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,NKPLEQLVBZODRB-UHFFFAOYSA-N,4,1,0.529,35,490,437.822,3.65,5,0.371,0.73,1.0,0.892613597423069,0.8764992118429169,0.5641662668768419,0.577496401891577,0.7276938695086013
EOS-4-04613,COc1nc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc(F)c1Br,GVXKHJGRNRFMGH-UHFFFAOYSA-N,4,1,0.458,90,555,466.658,3.119,4,0.327,0.5,1.0,0.7016311424850935,0.8680436570488658,0.2782708518950038,0.2908556644506888,0.5347003289699129
EOS-4-04614,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cccnc1,ITUVUWYKBNGFRA-UHFFFAOYSA-N,4,1,0.534,35,982,442.454,4.018,5,0.376,0.74,1.0,0.9148876019464053,0.8467976835035296,0.757247618394901,0.6606212733877047,0.7948885443081352
EOS-4-04615,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccc5F)n34)cc2F)s1,DJFLDOAVRNTPKL-UHFFFAOYSA-N,4,1,0.536,34,629,470.892,5.129,5,0.354,0.71,1.0,0.8695000342676993,0.9166780892330889,0.8269395517784935,0.8603334247138648,0.8683627749982866
EOS-4-04616,COCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,MQYZZBHRQNARFU-UHFFFAOYSA-N,4,1,0.813,90,948,413.84,3.747,4,0.459,0.79,1.0,0.8978651223356864,0.9040932766774039,0.8288842437118772,0.7954475361524227,0.8565725447193475
EOS-4-04617,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)cc1-c1nc[nH]n1,XDBDEBALEOMRCB-UHFFFAOYSA-N,4,1,0.522,47,164,454.828,3.525,5,0.391,0.7,1.0,0.9203790007538893,0.9239342745528065,0.7483637173600165,0.7793931190459873,0.8430175279281749
EOS-4-04618,CC(C)Oc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)cc1F,DJIYFHMTNZYDFQ-UHFFFAOYSA-N,4,1,0.374,0,901,449.461,4.179,5,0.457,0.9,1.0,0.5024844081968337,0.46943321225412926,0.5641748338016586,0.5615362209581248,0.5244071688026866
EOS-4-04619,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)cc1F,PBWCPUXTFXHIPL-UHFFFAOYSA-N,4,1,0.473,47,164,431.366,2.7,5,0.449,0.61,1.0,0.8583201973819478,0.7641953944212185,0.7254214927009801,0.6751250771023234,0.7557655404016175
EOS-4-04620,Fc1nc(-c2cnc(Br)nc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,CLKXANHTISCDGW-UHFFFAOYSA-N,4,1,0.529,65,143,493.3,3.561,5,0.261,0.66,1.0,0.8447758892467959,0.8499417449112466,0.4402799671030087,0.407751353574121,0.6356872387087931
EOS-4-04621,Cn1[nH]c(=O)cc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cn1,LECKPLXMXPURCC-UHFFFAOYSA-N,4,1,0.432,13,724,455.812,3.604,5,0.444,0.62,0.998,0.5486686998834899,0.6228668357206497,0.8039716263450072,0.8062418614214242,0.6954372558426427
EOS-4-04622,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)nc1,SHXDPFCCJLYABI-UHFFFAOYSA-N,4,1,0.58,75,583,429.871,3.918,5,0.404,0.68,1.0,0.8758909601809335,0.8064389006922075,0.537600233020355,0.5680385168939758,0.6969921526968679
EOS-4-04623,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cccnn5)cnn4)n23)c(F)c1,FQPDWZGRAUFIHX-UHFFFAOYSA-N,4,1,0.389,54,251,404.34,3.109,5,0.45,0.7,1.0,0.5356298403125214,0.5514443835240902,0.6387242135563018,0.6782006031115071,0.6009997601261051
EOS-4-04624,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)n1,LMQNDEKPWDQIOQ-UHFFFAOYSA-N,4,1,0.568,35,669,461.888,4.366,5,0.347,0.74,1.0,0.9646871359056953,0.9603008703995614,0.6642879172092385,0.6492529641559865,0.8096322219176204
EOS-4-04625,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnn(-c6ccc(Cl)nn6)n5)n34)c(F)c2)c1,YHFAUPUNGDMWPC-UHFFFAOYSA-N,4,1,0.361,3,783,487.861,4.428,6,0.362,0.69,0.822,0.03807141388527174,0.39710266602700295,0.678072099239257,0.8129583304776917,0.4815511274073059
EOS-4-04626,Clc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,ZEPKNKLPMDQSGR-UHFFFAOYSA-N,4,1,0.533,65,904,430.859,3.313,5,0.404,0.77,1.0,0.8379309163182784,0.8949181001987526,0.36657871290521554,0.39529504489068606,0.6236806935782332
EOS-4-04627,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cc1,YOLKJZRGJKLVHE-UHFFFAOYSA-N,4,1,0.655,48,378,457.868,4.094,4,0.423,0.77,1.0,0.8672983345898156,0.632247618394901,0.8390703173188953,0.779401685970804,0.779504489068604
EOS-4-04628,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,YHCIPJVEJOTBDL-UHFFFAOYSA-N,4,1,0.528,47,164,454.828,3.525,5,0.418,0.68,1.0,0.9175690494140224,0.8870793639915016,0.7596377904187512,0.7885340278253719,0.8382050579124116
EOS-4-04629,Fc1cc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,OIVBKGKPHJYOKC-UHFFFAOYSA-N,4,1,0.542,35,795,413.416,3.404,5,0.421,0.79,1.0,0.8124528819135083,0.8765077787677336,0.46877355904324586,0.4921012953190323,0.66245887876088
EOS-4-04630,Cc1ccc(-c2nnc3cncc(-c4ncccc4OCc4ccc(F)c(Cl)c4)n23)nn1,SWWGLVDUUWUPON-UHFFFAOYSA-N,4,1,0.374,22,586,447.861,4.323,5,0.396,0.69,0.997,0.5283308203687205,0.5799551093139607,0.6780806661640737,0.7064714550065109,0.6232095127133164
EOS-4-04631,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(N)=O)c(F)c4)n23)c(F)c1F,ORTFPDOEHZAQJY-UHFFFAOYSA-N,4,1,0.357,0,129,440.385,2.724,4,0.495,0.83,1.0,0.407571448152971,0.4428843122472757,0.694323555616476,0.6112500856692482,0.5390073504214927
EOS-4-04632,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)c5ccc(F)nc5)cn4)n23)cc1,LPOLBTXHTZSDID-UHFFFAOYSA-N,4,1,0.395,62,139,475.434,3.887,5,0.388,0.77,0.999,0.28574977725995476,0.3689346172297992,0.9635648687547118,0.9053012130765541,0.630887619080255
EOS-4-04633,Fc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4ccc(Cl)nc4)c3)n12,FPHWJFMYUCQNKF-UHFFFAOYSA-N,4,1,0.484,35,778,448.849,3.452,5,0.364,0.46,1.0,0.7989342745528065,0.8792149270098005,0.6387327804811185,0.6692567336029059,0.7465346789116578
EOS-4-04634,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cc(F)c(F)c(C(F)F)c4)n23)cc1F,MFCKAIMEGFMVNC-UHFFFAOYSA-N,4,1,0.33,0,188,459.378,4.705,5,0.439,0.88,1.0,0.36274929751216506,0.5281423480227537,0.9563086834349942,0.965569529161812,0.7031924645329313
EOS-4-04635,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cc(F)cnc5F)cn4)n23)cc1F,GOIWXUQTDYJOJQ-UHFFFAOYSA-N,4,1,0.337,73,736,448.368,2.826,5,0.419,0.7,1.0,0.2857583441847714,0.3255003084092934,0.6862278116647248,0.6810790898499075,0.4946413885271743
EOS-4-04636,Fc1ccccc1COc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,ZRPJFFLKOREGAY-UHFFFAOYSA-N,4,1,0.506,24,28,422.42,4.167,5,0.396,0.71,1.0,0.7850558563498047,0.8101483791378247,0.6591049276951545,0.6721523541909397,0.7316153793434309
EOS-4-04637,COCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)c4)n23)cn1,SDDWBYPEZLHZAC-UHFFFAOYSA-N,4,1,0.813,90,948,430.295,4.261,4,0.436,0.79,1.0,0.8650795010622987,0.8468062504283462,0.8288928106366938,0.8289527791104105,0.8424328353094374
EOS-4-04638,CC(F)c1ccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5cncnn5)c4)n23)cn1,UDLVVHQQDXTZQW-UHFFFAOYSA-N,4,1,0.36,85,81,446.877,4.313,5,0.397,0.62,1.0,0.34906791857994657,0.3877989856761017,0.7715458159139196,0.7517647865122336,0.5650443766705504
EOS-4-04639,N#Cc1cc(F)cc(-c2cc(-c3nnc4cncc(OCc5cc(F)cnn5)n34)ccn2)c1,IVVUWKWZSMLMOZ-UHFFFAOYSA-N,4,1,0.478,4,183,442.389,3.372,5,0.407,0.7,1.0,0.6239462682475498,0.6616321705160716,0.8214738537454596,0.8211140429031595,0.7320415838530602
EOS-4-04640,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cc(Cl)nc(C(F)(F)F)c4)n23)nc1,KFZIYCSLCKFXPV-UHFFFAOYSA-N,4,1,0.33,66,437,459.819,3.813,5,0.466,0.87,1.0,0.29690391337125627,0.4207216777465561,0.759646357343568,0.7388544308135152,0.554031594818724
EOS-4-04641,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)ccn1,JTSFFVXYFDMMAY-UHFFFAOYSA-N,4,1,0.542,35,143,436.447,4.21,5,0.371,0.71,1.0,0.8402696867932287,0.8295096292234939,0.6862363785895415,0.67513364402714,0.757787334658351
EOS-4-04643,COc1cc(-c2nnc3cncc(OCCc4cncnn4)n23)ccc1-c1ccc(C(F)(F)F)nn1,GEKSWYAFPUNTTK-UHFFFAOYSA-N,4,1,0.479,72,52,495.425,3.082,5,0.332,0.6,1.0,0.8046312795558906,0.7599376327873346,0.7148841751764786,0.5052343910629841,0.696171869645672
EOS-4-04644,Fc1cccc(COc2cncc3nnc(-c4cc(F)cc(-c5nncs5)c4)n23)c1,FTWIPWKBMSXIJR-UHFFFAOYSA-N,4,1,0.588,43,433,422.42,4.167,5,0.423,0.77,1.0,0.8021040367349737,0.7428037831539991,0.7954818038516894,0.8151771640052087,0.7888916969364678
EOS-4-04645,Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5nccnc5Cl)c4)n23)nc1,AGEYKTDJTNXXQZ-UHFFFAOYSA-N,4,1,0.517,4,71,447.861,4.323,5,0.396,0.67,1.0,0.7905558220821054,0.8178757453224591,0.7022222602974436,0.6954800904667261,0.7515334795421835
EOS-4-04646,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)ccn1,BTLBUCZYYLNTFU-UHFFFAOYSA-N,4,1,0.542,35,143,437.822,3.65,5,0.371,0.65,1.0,0.8282160235761771,0.7857155095606881,0.5744380097320266,0.5839558632033446,0.6930813515180592
EOS-4-04648,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)c1,JKZPNDCDCBLSAB-UHFFFAOYSA-N,4,1,0.522,58,28,431.406,3.543,5,0.38,0.61,1.0,0.8495648002193132,0.8531714755671305,0.5376087999451716,0.5516585566445069,0.6980009080940306
EOS-4-04652,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccc(C#N)cc5)c4)n23)c1Cl,OUBHSFFXLCSQBW-UHFFFAOYSA-N,4,1,0.5,97,183,453.893,4.661,5,0.381,0.72,1.0,0.8962288396957029,0.8561441984785142,0.8521091768898637,0.8369885545884449,0.8603676924131314
EOS-4-04653,N#Cc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,ARTQYSNUGBWROZ-UHFFFAOYSA-N,4,1,0.522,65,262,455.869,3.185,5,0.379,0.62,1.0,0.8993557672537866,0.9166866561579056,0.3366887122198616,0.36686998834898227,0.629900280995134
EOS-4-04654,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ncc(OC(F)F)cc4F)n23)ccc1F,QEJZHRKBASQCNV-UHFFFAOYSA-N,4,1,0.489,73,353,485.401,4.045,5,0.321,0.7,1.0,0.7443886642450825,0.8734836543074498,0.9058152285655541,0.8635802892193818,0.846816959084367
EOS-4-04655,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cc(F)ccn5)ccn4)n23)c1F,HGQJRMUBOSQDAS-UHFFFAOYSA-N,4,1,0.394,46,181,431.406,3.809,5,0.418,0.6,1.0,0.6778579261188403,0.509800561990268,0.7280858063189637,0.686947433349325,0.6506729319443493
EOS-4-04656,COc1cc(-c2nnc3cncc(OCCOc4cccc(F)c4Cl)n23)ccc1-c1cnco1,YXLPONZHXJXTOX-UHFFFAOYSA-N,4,1,0.506,91,103,481.871,4.705,5,0.294,0.66,1.0,0.9522736618463437,0.7770886162703036,0.8709392776368995,0.7954561030772394,0.8489394147076965
EOS-4-04657,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1cnco1,BJXAFKSLSRDONM-UHFFFAOYSA-N,4,1,0.483,16,103,436.378,3.707,5,0.397,0.72,1.0,0.8946096909053526,0.6956599958878761,0.8453241724350627,0.7363785895414982,0.7929931121924474
EOS-4-04658,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)c5)n34)cc2F)s1,RVQBGEQNDXSYET-UHFFFAOYSA-N,4,1,0.714,88,629,468.464,4.657,5,0.361,0.72,1.0,0.9568398327736276,0.9525820711397437,0.7954903707765061,0.795464670002056,0.8750942361729833
EOS-4-04659,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)cc1-c1ncon1,IOFAFVQXZMOBGO-UHFFFAOYSA-N,4,1,0.56,37,325,439.357,3.275,5,0.371,0.63,1.0,0.8853831128778014,0.8256630799808101,0.755285792611884,0.7388629977383319,0.8012987458022067
EOS-4-04660,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(C(F)F)n5)n34)cc2Cl)s1,MWPUHTOBCCVMJD-UHFFFAOYSA-N,4,1,0.472,27,343,489.87,5.014,5,0.331,0.6,1.0,0.7533153999040504,0.859348228359948,0.8341100678500446,0.8190922486464258,0.8164664861901172
EOS-4-04661,Cc1cc(Oc2cncc3nnc(-c4ccc(-c5ncc(F)c(C)n5)nc4)n23)ccc1F,LYMWNALHCKABBJ-UHFFFAOYSA-N,4,1,0.489,13,374,431.406,4.331,5,0.418,0.77,1.0,0.7680162428894524,0.7559026111986841,0.6619748475087383,0.6049191282297307,0.6977032074566513
EOS-4-04662,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c1F,DCUXSJUZZNWKOF-UHFFFAOYSA-N,4,1,0.535,35,76,436.447,4.21,5,0.371,0.67,1.0,0.8098485367692413,0.833013501473511,0.7358474402028647,0.7094099102186279,0.7720298471660613
EOS-4-04664,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4Cl)n23)c1F,HGKNJNQAJRFWOF-UHFFFAOYSA-N,4,1,0.511,37,832,454.828,3.525,5,0.391,0.59,1.0,0.8230073332876431,0.8561527654033309,0.7954989377013227,0.8129668974025084,0.8219064834487013
EOS-4-04665,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)ccc1F,FWHNXMRBZZXKTP-UHFFFAOYSA-N,4,1,0.517,7,99,425.387,2.628,5,0.417,0.66,1.0,0.6239548351723665,0.6859279692961414,0.4960506476595161,0.43641628401069155,0.5605874340346788
EOS-4-04666,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cccnc5)c4)n23)nc1Cl,PTIWBHKETLFCQT-UHFFFAOYSA-N,4,1,0.533,75,496,447.861,4.057,5,0.362,0.66,1.0,0.8583287643067644,0.8844321842231513,0.6591134946199713,0.6810876567747242,0.7707405249811528
EOS-4-04667,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)c(Cl)n4)n23)cc1F,SCWZFSCCHAVBAU-UHFFFAOYSA-N,4,1,0.349,0,188,474.83,4.139,5,0.422,0.87,0.991,0.6655472551572887,0.7939483243095059,0.762096497841135,0.8310088410664108,0.7631502295935851
EOS-4-04668,Fc1cnccc1CCOc1cncc2nnc(-c3cncnc3-c3ccccn3)n12,BGXRWEWJVTWTGO-UHFFFAOYSA-N,4,1,0.505,65,904,414.404,2.799,5,0.418,0.7,1.0,0.6808392159550408,0.6616407374408882,0.3517407991227469,0.3601792200671647,0.5135999931464601
EOS-4-04669,N#Cc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1Cl,TVHQJPXZJOKSGB-UHFFFAOYSA-N,4,1,0.612,90,281,394.797,3.472,4,0.515,0.74,1.0,0.9734939346172298,0.9816924816667809,0.8991244602837366,0.9109125488314714,0.9413058563498047
EOS-4-04671,COc1nc(C(F)F)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,XWLBXIJJZFIWHH-UHFFFAOYSA-N,4,1,0.506,90,305,432.818,3.802,4,0.41,0.64,0.998,0.7935028442190392,0.7770971831951203,0.6563035432801042,0.5583921595504078,0.6963239325611679
EOS-4-04672,OCCOCc1cncc2nnc(-c3ccc(OCCc4ccccc4Cl)nc3)n12,DUGBWZZWDQLKFN-UHFFFAOYSA-N,4,1,0.5,90,636,425.876,2.97,4,0.412,0.81,1.0,0.37438318141319993,0.38780755260091837,0.5575269001439244,0.5385340278253719,0.46456291549585366
EOS-4-04673,Fc1cc(CCOc2cncc3nnc(-c4cccnc4-c4ncccn4)n23)ccn1,KYESGZBZGXHBFR-UHFFFAOYSA-N,4,1,0.506,75,578,414.404,2.799,5,0.391,0.64,1.0,0.8255431430333767,0.7599461997121513,0.2745870742238366,0.2760605852923035,0.534034250565417
EOS-4-04674,Cc1ccc(-c2nnc3cncc(-c4cccc(C(=O)Nc5cc(Cl)c(F)cc5F)n4)n23)c(F)c1,MTILSBMHFYLGEO-UHFFFAOYSA-N,4,1,0.412,45,140,494.864,5.485,5,0.334,0.82,1.0,0.23491364539784798,0.42515077787677336,0.9182115687752724,0.9186399150161059,0.6242289767664999
EOS-4-04675,Cc1cc(-c2cncc3nnc(-c4ccc(-c5cccc(C#N)n5)nc4)n23)ccc1F,UIZPBRAUBSSQIO-UHFFFAOYSA-N,4,1,0.337,96,140,407.412,4.235,5,0.444,0.73,1.0,0.3349324926324447,0.48706394352683163,0.8357891851141115,0.8191008155712426,0.6192216092111577
EOS-4-04676,CCCCOc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)cc1,DWDIEZZUWXXDEI-UHFFFAOYSA-N,4,1,0.58,90,636,432.459,3.997,4,0.369,0.75,1.0,0.9561973134123775,0.9450517442258927,0.44386094167637585,0.3699369474333493,0.6787617366869988
EOS-4-04677,Fc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)c(-c2ncccn2)n1,DKMULYADKQHDCO-UHFFFAOYSA-N,4,1,0.524,75,393,414.404,2.799,5,0.391,0.62,1.0,0.8758995271057501,0.7981546843944898,0.26699677883626893,0.27279658693715303,0.5534618943184155
EOS-4-04678,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,YDKFNHSIXGRIQR-UHFFFAOYSA-N,4,1,0.605,35,352,452.902,4.724,5,0.347,0.69,1.0,0.8559642930573641,0.8925536289493523,0.8059677198272908,0.8289613460352272,0.8458617469673085
EOS-4-04679,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)cc3Cl)n12,MZAMXRZSCJSAPR-UHFFFAOYSA-N,4,1,0.585,35,352,452.902,4.724,5,0.347,0.69,1.0,0.8518264683709136,0.9202247961071893,0.7458279076142827,0.776797340826537,0.8236691282297306
EOS-4-04680,Fc1cc(-c2nncs2)cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)c1,ZCFYATFKEAXDFY-UHFFFAOYSA-N,4,1,0.494,73,526,442.386,3.096,5,0.383,0.59,1.0,0.6383472688643684,0.6322561853197176,0.5239959564114866,0.5422006716469057,0.5842000205606195
EOS-4-04681,Cc1cc(-c2cc(-c3cncc4nnc(-c5ccc(-c6ccccc6F)cn5)n34)ncn2)ccn1,NFZVRMROYNINBM-UHFFFAOYSA-N,4,1,0.303,32,20,460.476,4.82,6,0.372,0.73,0.997,0.2590124049071345,0.33477828798574466,0.6917877458707422,0.6928072099239257,0.49459641217188677
EOS-4-04682,O=C(c1ccc(-c2cncc3nnc(-c4ccc(CO)c(Cl)c4)n23)cc1F)N1CCCC1,BDWXYLBVSNITMN-UHFFFAOYSA-N,4,1,0.366,0,21,451.889,3.979,5,0.507,0.88,1.0,0.2154838599136454,0.27465560962236996,0.15094064834487012,0.4798762936056473,0.2802391028716332
EOS-4-04683,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)cn1,ILQYYCASYGAAPV-UHFFFAOYSA-N,4,1,0.617,35,4,427.443,3.712,5,0.408,0.75,1.0,0.9339575765883079,0.9221180864916729,0.6239034336234666,0.5550510588719073,0.7587575388938386
EOS-4-04684,Fc1cncc(CCOc2cncc3nnc(-c4cncc(-c5cncnn5)c4)n23)c1F,YOSYEVSNJQSQOD-UHFFFAOYSA-N,4,1,0.459,65,349,433.382,2.333,5,0.398,0.58,1.0,0.7706205880337195,0.6322647522445343,0.5545370433829073,0.5385425947501885,0.6239912446028374
EOS-4-04685,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)nc3F)n12,LNCXHNWZKAYXPY-UHFFFAOYSA-N,4,1,0.5,58,271,432.394,2.938,5,0.377,0.65,1.0,0.8718302378178329,0.8398584744020287,0.517459392776369,0.5118566239462683,0.6852511822356246
EOS-4-04687,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccoc5)nc4Cl)n23)ccn1,CEYMEFYUVOXFQF-UHFFFAOYSA-N,4,1,0.542,35,143,436.834,4.255,5,0.367,0.67,1.0,0.809857103694058,0.759954766636968,0.69973785210061,0.7174456856966623,0.7467488520320745
EOS-4-04688,FC(F)n1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2Cl)n1,NWEUPGLUAHRPGE-UHFFFAOYSA-N,4,1,0.565,4,610,489.273,4.726,5,0.341,0.56,1.0,0.52547803440477,0.777105750119937,0.8341186347748613,0.8484253992186964,0.7462819546295661
EOS-4-04689,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)cc4F)n23)ccn1,KJHHJSJHQORBGN-UHFFFAOYSA-N,4,1,0.551,37,626,419.395,3.476,5,0.424,0.63,1.0,0.9042046467000205,0.8896323075868686,0.7736961140429032,0.7543434308820506,0.8304691248029608
EOS-4-04692,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1ccon1,PSTXECOZBFYONQ-UHFFFAOYSA-N,4,1,0.5,1,383,451.845,4.826,5,0.365,0.77,1.0,0.9351226783633747,0.8101569460626413,0.8884929065862518,0.8552018367486807,0.8722435919402372
EOS-4-04693,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCc3cccc(C(F)F)n3)n12,ADGDJXXENOWEEQ-UHFFFAOYSA-N,4,1,0.494,4,712,455.425,4.361,5,0.376,0.63,1.0,0.5382427523816051,0.6519344116236035,0.8250548283188267,0.7744243026523199,0.6974140737440888
EOS-4-04694,Fc1cnnc(F)c1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3Cl)n12,PZTRXKPAWSOZOF-UHFFFAOYSA-N,4,1,0.522,47,164,455.816,2.92,5,0.415,0.54,1.0,0.8695086011925159,0.8949266671235693,0.5206120211089027,0.5930882050579124,0.719533873620725
EOS-4-04695,Fc1ccc2nc(-c3ccc(-c4nnc5cncc(OCCc6cccnc6)n45)cn3)cnc2n1,KXLBKRLIWDPCAU-UHFFFAOYSA-N,4,1,0.456,6,76,465.452,3.347,6,0.341,0.58,1.0,0.8379394832430951,0.8650023987389487,0.31845829620999244,0.3313772188335275,0.5881943492563909
EOS-4-04696,Fc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1nc[nH]n1,BNPTYBLQNFUWBA-UHFFFAOYSA-N,4,1,0.527,47,164,454.828,3.525,5,0.391,0.66,1.0,0.917577616338839,0.910612706462888,0.7530498252347337,0.7744328695771366,0.8389182544033993
EOS-4-04697,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)c(Cl)c1,YLRYYVNQIOPCLP-UHFFFAOYSA-N,4,1,0.671,90,133,412.812,2.699,4,0.488,0.69,1.0,0.5958810225481461,0.4517767802069769,0.6324103899664176,0.6049276951545474,0.571248971969022
EOS-4-04698,Fc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1cccnc1,ALMRJLMTJZXWSC-UHFFFAOYSA-N,4,1,0.561,35,795,413.416,3.404,5,0.421,0.75,1.0,0.8779213213624837,0.8734922212322664,0.4861044479473648,0.5052429579878007,0.6856902371324789
EOS-4-04699,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)c(Cl)c3)n12,PRRRQVZVLNKTEL-UHFFFAOYSA-N,4,1,0.62,35,161,452.902,4.724,5,0.371,0.68,1.0,0.8695171681173326,0.920233363032006,0.802121170584607,0.82489205674731,0.8541909396203139
EOS-4-04700,CNC(C)c1ccc(-c2nnc3cncc(-c4cc(COC)cnc4OC)n23)c(F)c1F,WZUCVBPNJLNRGM-UHFFFAOYSA-N,4,1,0.315,63,999,440.454,3.567,4,0.47,0.56,1.0,0.43717017339455827,0.4021400178192036,0.8763107394969502,0.6782091700363237,0.598457525186759
EOS-4-04701,Fc1c(Cl)ccnc1COc1cncc2nnc(-c3cccc(-c4cscn4)c3)n12,KWFFVQSLFREUHU-UHFFFAOYSA-N,4,1,0.523,97,666,438.875,4.681,5,0.396,0.66,1.0,0.6129634706325817,0.6712099924611061,0.7552943595367007,0.7885425947501885,0.7070026043451443
EOS-4-04702,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1F,XYKNRDPLVHWQDV-UHFFFAOYSA-N,4,1,0.53,97,22,422.42,4.167,5,0.423,0.62,1.0,0.7443972311698992,0.7599633335617847,0.7691128092659859,0.7543519978068672,0.7569563429511342
EOS-4-04703,Fc1cc(F)nc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)nn5)c4)n23)c1,TTXZAODJVMIIMX-UHFFFAOYSA-N,4,1,0.511,24,486,436.357,3.035,5,0.387,0.67,0.998,0.5614848194092249,0.6566462202727709,0.669873552189706,0.6606298403125214,0.6371586080460558
EOS-4-04704,N#Cc1cc(-c2nnc3cncc(OCc4nccc(-c5cncnc5)n4)n23)ccc1Cl,IXKDAFZVMQCKLY-UHFFFAOYSA-N,4,1,0.462,51,817,441.842,3.142,5,0.404,0.68,1.0,0.7877972722911384,0.9184000411212391,0.5868343499417449,0.5960437941196628,0.7222688643684463
EOS-4-04705,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCc4ncccc4F)n23)c1,KVIKHVBNEYKOCU-UHFFFAOYSA-N,4,1,0.554,97,744,428.452,4.505,5,0.409,0.68,1.0,0.6808477828798575,0.6519429785484202,0.8453327393598794,0.8429254334863957,0.7552622335686382
EOS-4-04706,N#Cc1cc(-c2nnc3cncc(OCc4ncc(-c5ccc(F)cn5)nn4)n23)ccc1Cl,PPEGMJKKHXRICR-UHFFFAOYSA-N,4,1,0.472,73,446,459.832,3.281,5,0.388,0.7,1.0,0.8495733671441299,0.932432663970941,0.6060756630799808,0.6810962236995408,0.7672944794736481
EOS-4-04707,Cn1cc(-c2c(F)ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2F)cn1,FXVZPAPCDQXORN-UHFFFAOYSA-N,4,1,0.54,37,161,451.412,3.626,5,0.392,0.64,1.0,0.7503426769926667,0.7149698444246453,0.8609930779247481,0.8310174079912275,0.7893307518333219
EOS-4-04708,N#Cc1ccc(-c2cncc3nnc(-c4ncncc4-c4cccc(Cl)c4)n23)cn1,PDVPMXHGGSCHQJ-UHFFFAOYSA-N,4,1,0.314,96,478,410.828,3.835,5,0.445,0.83,0.955,0.28576691110958813,0.3347868549105613,0.7148927421012953,0.8041343979165239,0.5348952265094922
EOS-4-04709,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)nn1,KSJGPJPDKOVOCU-UHFFFAOYSA-N,4,1,0.457,72,208,464.848,2.902,5,0.403,0.68,1.0,0.8021126036597903,0.8362603659790282,0.5240045233363032,0.5422092385717223,0.6761466828867111
EOS-4-04710,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)nc1,VQIFFEIHWNSDEM-UHFFFAOYSA-N,4,1,0.494,51,196,448.849,3.718,5,0.4,0.69,1.0,0.9382581728462751,0.894935234048386,0.45107429237201013,0.4679597011856624,0.6880568501130834
EOS-4-04711,Cc1ccc(-c2nnc3cncc(CNc4ccc(Cl)c(-c5cc(F)cnn5)c4)n23)cn1,LKKKJGJRABBKDJ-UHFFFAOYSA-N,4,1,0.371,14,291,446.877,4.356,5,0.428,0.78,1.0,0.14057466931670207,0.2442772942224659,0.6834435610993078,0.6869560002741416,0.4388128812281543
EOS-4-04712,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)c(F)c1,YXEMYRBRFMOUOX-UHFFFAOYSA-N,4,1,0.416,66,364,441.417,3.173,4,0.494,0.64,1.0,0.26691110958810227,0.3971112329518196,0.5744465766568433,0.347328832842163,0.396449438009732
EOS-4-04713,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c(F)c1,QAORJDLTLLGGRU-UHFFFAOYSA-N,4,1,0.53,75,496,422.42,4.167,5,0.423,0.72,1.0,0.6183692001918991,0.5900640805976287,0.7254300596257968,0.7254214927009801,0.6648212082790762
EOS-4-04714,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)nc1,UGIABCODHFFLTF-UHFFFAOYSA-N,4,1,0.573,73,82,447.861,4.323,5,0.396,0.72,1.0,0.8495819340689467,0.8792234939346172,0.6808991844287574,0.6841888835583579,0.7734733739976698
EOS-4-04715,Fc1cc(-c2cnsn2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,KOHIYLMYLIWKPT-UHFFFAOYSA-N,4,1,0.484,37,490,455.425,3.744,5,0.385,0.59,1.0,0.8149458570351586,0.7981632513193064,0.7072596120896443,0.7363871564663148,0.764188969227606
EOS-4-04716,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)nc1,RCIJSIZTWXBLOB-UHFFFAOYSA-N,4,1,0.595,35,509,443.442,3.413,5,0.377,0.74,1.0,0.9372215749434583,0.9085909122061545,0.5307381262422041,0.4300938934959907,0.7016611267219519
EOS-4-04717,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncc(F)cn5)cn4)n23)cc1F,BSXXQJTZTSZKIT-UHFFFAOYSA-N,4,1,0.337,96,155,446.377,2.813,5,0.436,0.8,1.0,0.6071465286820643,0.5281509149475704,0.5068192721540675,0.4237372352820232,0.5164634877664314
EOS-4-04718,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1)N1CCCC1,REWLZVURLZAREW-UHFFFAOYSA-N,4,1,0.457,0,21,438.318,5.001,5,0.452,0.94,1.0,0.24838085120964978,0.329946542389144,0.1127064628880817,0.5052515249126174,0.29907134534987323
EOS-4-04721,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1Cl,HVOFCZSLFHTTEX-UHFFFAOYSA-N,4,1,0.645,90,636,394.797,3.472,4,0.481,0.76,1.0,0.9730398876019464,0.9855818655335481,0.9014460969090535,0.9053097800013707,0.9413444075114796
EOS-4-04722,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4F)n23)ccn1,YHXZWWLZJSAURO-UHFFFAOYSA-N,4,1,0.605,35,352,436.447,4.21,5,0.371,0.69,1.0,0.885391679802618,0.9041018436022206,0.783034062093071,0.767150983482969,0.8349196422452196
EOS-4-04723,Fc1cc(-c2nnc3cncc(OCc4c(Cl)ccnc4Cl)n23)ccc1-c1ncon1,ZMRBHEKKMPSYDX-UHFFFAOYSA-N,4,1,0.518,73,325,458.24,4.261,5,0.36,0.66,1.0,0.8891525597971353,0.8398670413268453,0.785278596395038,0.8429340004112124,0.8393080494825578
EOS-4-04724,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,LFTAUCKUPPADPF-UHFFFAOYSA-N,4,1,0.533,65,904,414.404,2.799,5,0.418,0.76,1.0,0.8518350352957302,0.8680522239736824,0.37043382907271605,0.3409036392296621,0.6078061818929477
EOS-4-04726,COc1ncc(-c2nnc3cncc(CNc4ccc(C(F)(F)F)cn4)n23)cn1,XYLCYSHGNNTJJE-UHFFFAOYSA-N,4,1,0.33,68,455,402.34,2.616,4,0.543,0.84,1.0,0.2429751216503324,0.14538071413885273,0.7830426290178878,0.521768555959153,0.42329175519155643
EOS-4-04727,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)ccc1-c1cnco1,PABORWICGCTWCV-UHFFFAOYSA-N,4,1,0.483,16,103,452.833,4.221,5,0.377,0.68,1.0,0.8946182578301692,0.7687015968747858,0.8469090535261462,0.7744414365019533,0.8211675861832636
EOS-4-04730,Fc1cc(COc2cncc3nnc(-c4cc(-c5ccnnc5)ncn4)n23)cnc1F,PBRXTYRDEUOFBV-UHFFFAOYSA-N,4,1,0.394,46,395,419.355,2.29,5,0.396,0.55,0.997,0.6383558357891851,0.4561973134123775,0.5607651977246247,0.511865190871085,0.541795884449318
EOS-4-04731,COc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1ncc(F)cn1,UXZVTFPOPZIASV-UHFFFAOYSA-N,4,1,0.484,73,467,479.422,3.691,5,0.349,0.59,1.0,0.9318843807826742,0.8765163456925502,0.6888749914330752,0.6143855801521486,0.777915324515112
EOS-4-04732,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1ccncc1,OWGWZXCTCDSXOF-UHFFFAOYSA-N,4,1,0.5,97,83,453.437,3.847,5,0.381,0.71,1.0,0.7850644232746213,0.810165512987458,0.7892108148858885,0.6721609211157563,0.764150418065931
EOS-4-04733,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(NC(=O)c5ccc(F)cn5)cc4)n23)cc1F,XIWINUKTZZFKQF-UHFFFAOYSA-N,4,1,0.414,62,504,471.427,3.483,5,0.404,0.8,1.0,0.24298368857514907,0.19920670276197655,0.6324189568912343,0.5453018984305393,0.4049778116647248
EOS-4-04734,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1cccnn1,SAHOLRZKBRULQZ-UHFFFAOYSA-N,4,1,0.484,4,702,449.409,3.105,5,0.396,0.67,1.0,0.7821516688369543,0.8178843122472758,0.7530583921595504,0.7009543554245768,0.7635121821670893
EOS-4-04736,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)nn5)n34)ccn2)nc1,HPZVISTVDUZQPJ-UHFFFAOYSA-N,4,1,0.483,73,775,453.8,2.944,5,0.396,0.56,1.0,0.6836577342197245,0.6908796518401754,0.43657048865739156,0.49210986224384895,0.5758044342402852
EOS-4-04737,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)c2)nn1,RVWLTVLKQDNLIQ-UHFFFAOYSA-N,4,1,0.562,72,275,431.406,3.543,5,0.406,0.74,1.0,0.9026368994585704,0.8949438009732027,0.6324275238160509,0.6286580768967172,0.7646665752861352
EOS-4-04738,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,NEGXLYVJYJCZAX-UHFFFAOYSA-N,4,1,0.697,91,660,417.469,4.675,5,0.402,0.78,1.0,0.9568483996984443,0.9382496059214585,0.7644181344664519,0.7595778219450346,0.8547734905078472
EOS-4-04739,CC(C)(C)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1F,UMHHNRZUUHOMAI-UHFFFAOYSA-N,4,1,0.337,0,188,465.479,5.065,5,0.457,0.82,1.0,0.38360975944075115,0.4517853471317936,0.8709478445617161,0.822955931738743,0.632324720718251
EOS-4-04740,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cc2F)s1,RXERFPOLVIYKSW-UHFFFAOYSA-N,4,1,0.518,34,629,470.892,5.129,5,0.354,0.76,1.0,0.8816479336577342,0.9146562949763553,0.8080666164073744,0.8484339661435131,0.8632012027962442
EOS-4-04743,COc1cc(-c2nnc3cncc(-c4ccc(C(F)F)nn4)n23)ccc1-c1ccncc1,RFCCKWWJVIQZRI-UHFFFAOYSA-N,4,1,0.337,96,121,431.406,4.257,5,0.411,0.74,1.0,0.3650538002878487,0.35926255911178123,0.8324052498115276,0.7415444452059489,0.5745665136042766
EOS-4-04744,Fc1ncc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)n1,YDGIPGYAQJCHOP-UHFFFAOYSA-N,4,1,0.479,47,164,439.361,2.405,5,0.401,0.55,1.0,0.8630491398807484,0.8178928791720924,0.44743334932492634,0.4585360838873278,0.6467278630662737
EOS-4-04745,NC(=O)c1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1F,FXNWWORCQKRBBD-UHFFFAOYSA-N,4,1,0.586,90,133,414.347,2.324,4,0.519,0.7,1.0,0.7016397094099103,0.39711979987663626,0.6809077513535742,0.6492615310808032,0.607232197930231
EOS-4-04746,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccnn5)n34)cc2F)nc1,VXHQVINOGVXWAJ-UHFFFAOYSA-N,4,1,0.542,73,82,418.367,2.896,5,0.429,0.69,1.0,0.8175330683297923,0.7559111781235008,0.5274741278870536,0.52516962511137,0.6565219998629293
EOS-4-04747,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)c1Cl,OTFJUQVYWLYORY-UHFFFAOYSA-N,4,1,0.593,35,352,452.902,4.724,5,0.347,0.57,1.0,0.8447844561716127,0.8896408745116853,0.8021297375094236,0.8151857309300253,0.8379351997806868
EOS-4-04748,COc1cc(-c2nnc3cncc(COc4ccc(F)cc4F)n23)ccc1-c1nccs1,CHHXCXQVNBEZJI-UHFFFAOYSA-N,4,1,0.404,14,189,451.458,4.781,5,0.37,0.76,1.0,0.6044222465903639,0.5947930230964293,0.8373654992803783,0.7569306421766843,0.698377852785964
EOS-4-04749,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5F)n34)cc2Cl)s1,LBXYNXIVMGCDKF-UHFFFAOYSA-N,4,1,0.518,34,629,470.892,5.129,5,0.354,0.78,1.0,0.863057706805565,0.912651634569255,0.8080751833321911,0.8484425330683298,0.8580567644438352
EOS-4-04750,NC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)cc1,ONMBZFANXXIXLM-UHFFFAOYSA-N,4,1,0.495,48,678,410.384,3.104,4,0.485,0.85,1.0,0.5049345486944007,0.49154444520594887,0.7830511959427044,0.6318278390788843,0.6028395072304846
EOS-4-04751,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)cc3Cl)n12,ADQZVNUOEINJJS-UHFFFAOYSA-N,4,1,0.571,11,0,452.902,4.724,5,0.347,0.77,1.0,0.8518436022205469,0.9166952230827222,0.6809163182783908,0.7148413405523953,0.7910741210335138
EOS-4-04754,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncncn5)cc4)n23)ccn1,FZOUFLDLAAFEGS-UHFFFAOYSA-N,4,1,0.595,15,626,414.404,2.799,5,0.391,0.71,1.0,0.9703413062846961,0.9257504626139401,0.49264101158248236,0.4333236241518744,0.7055141011582482
EOS-4-04755,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)ncn2)nc1,ITDJOBWRUSJDLC-UHFFFAOYSA-N,4,1,0.413,46,842,437.345,2.43,5,0.382,0.55,0.678,0.5099376327873346,0.505671304228634,0.4438695086011925,0.46461003358234526,0.48102211979987664
EOS-4-04756,C#Cc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1Cl,FBTDMCXHVYBPEM-UHFFFAOYSA-N,4,1,0.726,48,231,392.821,4.187,4,0.478,0.73,1.0,0.980141868274964,0.9901137687615653,0.94942944280721,0.9562315811116442,0.9689791652388458
EOS-4-04757,Fc1ccc(-c2ncc(-c3nnc4cncc(-c5cnc(-c6cncnc6)c(F)c5)n34)cn2)nn1,PSMYHNMDOXLXQC-UHFFFAOYSA-N,4,1,0.282,94,874,467.403,2.836,6,0.381,0.63,0.787,0.277439860187787,0.34486155849496264,0.36309197450483177,0.4042389143992872,0.34740807689671716
EOS-4-04758,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)cc1F,LWVDUAPJKIGHIL-UHFFFAOYSA-N,4,1,0.5,16,353,437.385,3.583,5,0.391,0.64,1.0,0.8854002467274347,0.8023439106298403,0.8269481187033103,0.7954732369268728,0.8275413782468645
EOS-4-04760,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)nc2CCF)nc1,CKYJGNVYJFOHNX-UHFFFAOYSA-N,4,1,0.435,46,16,477.45,4.321,5,0.345,0.67,0.964,0.7381433760537317,0.6908882187649921,0.5477520389281064,0.5584007264752244,0.6337960900555137
EOS-4-04761,FCc1nc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)ccc1F,VOHDULFEELQQNU-UHFFFAOYSA-N,4,1,0.5,47,164,438.373,3.298,5,0.434,0.62,1.0,0.7413559728599822,0.7057175656226441,0.6353574121033514,0.617212665341649,0.6749109039819066
EOS-4-04762,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5F)n34)cn2)cn1,IFCZLTXXQFIKSF-UHFFFAOYSA-N,4,1,0.461,55,283,448.849,3.718,5,0.375,0.71,1.0,0.8202830511959427,0.802352477554657,0.5641834007264752,0.5286220958124872,0.6788602563223904
EOS-4-04763,COc1cc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)ccc1-c1c(F)cccc1F,SKFXANFXUJQPHI-UHFFFAOYSA-N,4,1,0.517,88,313,494.889,4.81,5,0.321,0.67,1.0,0.9652868206428621,0.9292886025632239,0.8102683160852581,0.8019498320882736,0.8766983928449044
EOS-4-04764,Fc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cccnn1,DOUWJMQJEIARCQ-UHFFFAOYSA-N,4,1,0.61,72,393,413.416,3.404,5,0.421,0.76,1.0,0.9009577821945035,0.892562195874169,0.6387413474059351,0.6172212322664656,0.7623706394352683
EOS-4-04765,Clc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cn1,JTIKFNSOQJLZKN-UHFFFAOYSA-N,4,1,0.506,90,811,422.663,3.558,4,0.359,0.69,1.0,0.7474384894798163,0.862260982797615,0.5641919676512919,0.7064800219313275,0.7200928654650126
EOS-4-04766,Fc1cc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)ccc1-c1nncs1,IEIGVBSTCQORMP-UHFFFAOYSA-N,4,1,0.506,34,712,441.398,3.701,5,0.411,0.63,1.0,0.7706291549585361,0.8140548968542252,0.753066959084367,0.7620879309163183,0.7749597354533617
EOS-4-04767,Fc1ccc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)nc1-c1nccs1,LZLMADOXUYYNRO-UHFFFAOYSA-N,4,1,0.407,46,915,441.398,3.701,5,0.384,0.66,0.999,0.7170858748543623,0.6416027002947022,0.5744551435816599,0.604936262079364,0.6345199952025221
EOS-4-04768,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ccn3)n12,LPZUQWFFEARIKD-UHFFFAOYSA-N,4,1,0.522,58,28,447.861,4.057,5,0.362,0.71,1.0,0.8738263313001166,0.8949523678980194,0.5408470975258721,0.5988880131587965,0.7271284524707011
EOS-4-04769,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nc4Cl)n23)c1,JSLVLAKWOFFUPM-UHFFFAOYSA-N,4,1,0.5,58,271,448.849,3.452,5,0.364,0.57,0.999,0.9042132136248372,0.8994757042012199,0.4824977725995477,0.542217805496539,0.707101123980536
EOS-4-04770,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4ccon4)nc3)n12,UPCCCXYETSIKBJ-UHFFFAOYSA-N,4,1,0.531,24,109,422.807,4.213,5,0.419,0.71,1.0,0.765060653827702,0.7599719004866013,0.812410047289425,0.8310259749160441,0.7921171441299432
EOS-4-04771,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5c(F)cnc(F)c5F)n34)cc2)n1,LWDGDCWKYBKVFK-UHFFFAOYSA-N,4,1,0.506,16,772,438.373,2.978,5,0.389,0.63,0.995,0.8230159002124597,0.6566547871975875,0.7435148379137825,0.6811047906243575,0.7260725789870468
EOS-4-04772,CCc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncc(F)cn5)c4)n23)n1,UQAILKXNZCPECE-UHFFFAOYSA-N,4,1,0.484,73,82,446.421,3.458,5,0.391,0.7,1.0,0.7706377218833528,0.8179014460969091,0.35911692138989787,0.34733739976697964,0.5737483722842849
EOS-4-04773,COc1ncc(F)cc1COc1cncc2nnc(-c3cncc(-c4ncc(F)cn4)c3)n12,CQPLTXBREFBRFD-UHFFFAOYSA-N,4,1,0.46,2,491,448.393,2.904,5,0.387,0.65,1.0,0.7503512439174834,0.6138287300390651,0.4616201768213282,0.3668785552737989,0.5481696765129189
EOS-4-04774,N#Cc1nc(COc2cncc3nnc(-c4ccc(Cl)c(-c5cscn5)c4)n23)ccc1F,ZDJAUPSKUHXRDJ-UHFFFAOYSA-N,4,1,0.523,4,702,463.885,4.553,5,0.376,0.7,1.0,0.7962528270851895,0.9126602014940717,0.8102768830100747,0.8191093824960592,0.8345748235213488
EOS-4-04775,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4Cl)n23)cn1,FUAQLZDHKMKTIK-UHFFFAOYSA-N,4,1,0.341,82,204,459.897,4.316,5,0.413,0.7,1.0,0.5099461997121513,0.5236789801932699,0.7409875950928655,0.5647145500651086,0.5848318312658488
EOS-4-04776,COc1cc(-c2nnc3cncc(OCc4nccs4)n23)ccc1-c1cc(F)ccc1F,HYFBXGIKJDFNTC-UHFFFAOYSA-N,4,1,0.65,57,92,451.458,4.781,5,0.37,0.7,1.0,0.7139760811459118,0.8256716469056268,0.8390788842437119,0.7861352888767048,0.7912154752929887
EOS-4-04777,N#Cc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3ccc(F)c(C#N)n3)n12,BCSWVSFZRYDJRH-UHFFFAOYSA-N,4,1,0.453,4,702,449.409,3.105,5,0.396,0.69,1.0,0.7562367212665342,0.7771143170447536,0.7458364745390994,0.6954886573915428,0.7436690425604825
EOS-4-04778,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)o4)nc3)n12,WKHZGFUYJHXPRJ-UHFFFAOYSA-N,4,1,0.527,58,981,437.822,3.65,5,0.371,0.7,1.0,0.8835583578918511,0.8330220683983277,0.48250633952436434,0.4921184291686656,0.6728012987458022
EOS-4-04781,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)cc1Cl,OGLGIWAMJMEZED-UHFFFAOYSA-N,4,1,0.576,90,636,408.824,3.78,4,0.499,0.68,1.0,0.9635820026043451,0.9689877321636625,0.8142433692001919,0.812975464327325,0.8899471420738811
EOS-4-04782,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(F)c(C#N)n4)n23)c(F)c1F,HSTRDSIKUNBBKW-UHFFFAOYSA-N,4,1,0.373,66,9,437.385,2.816,4,0.514,0.76,0.981,0.32484065519841,0.42073024467137277,0.6888835583578918,0.631836406003701,0.5165727160578439
EOS-4-04783,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5ccccn5)ncn4)n23)ccc1Cl,WJFUNBINJRCKDF-UHFFFAOYSA-N,4,1,0.528,24,633,440.854,3.747,5,0.406,0.66,1.0,0.7503598108423001,0.9146648619011719,0.6971249400315263,0.7009629223493935,0.7657781337810979
EOS-4-04784,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)ccc1-c1nc[nH]n1,YCLIRSKMVDUSOT-UHFFFAOYSA-N,4,1,0.511,47,164,424.346,2.968,5,0.432,0.64,1.0,0.782160235761771,0.7728651223356864,0.7596549242683847,0.7388715646631485,0.7633879617572477
EOS-4-04785,Fc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,KUEAOVJPLRMAOH-UHFFFAOYSA-N,4,1,0.489,58,143,448.849,3.452,5,0.287,0.68,1.0,0.8540881365225139,0.8925707627989857,0.41059557261325474,0.4426530052772257,0.649976869302995
EOS-4-04786,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ncncc5F)n34)ccn2)ncn1,BHXQKGYNKGGSHL-UHFFFAOYSA-N,4,1,0.462,75,624,433.382,2.333,5,0.372,0.65,1.0,0.7764460969090535,0.6859365362209581,0.34401343293811254,0.34405626756219587,0.5376130834075801
EOS-4-04787,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccc(F)cn5)c4)n23)n1,IFIKZQAVSOLQMY-UHFFFAOYSA-N,4,1,0.489,4,71,431.406,3.809,5,0.418,0.66,1.0,0.8303834555547941,0.7771228839695703,0.7022308272222603,0.6663782468645055,0.7440288534027826
EOS-4-04788,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cn5)n34)cc2F)n1,VNFFBOSAPOKLEG-UHFFFAOYSA-N,4,1,0.466,73,196,432.394,3.204,5,0.417,0.7,1.0,0.8962374066205195,0.8023610444794737,0.4510828592968268,0.4143050510588719,0.640996590363923
EOS-4-04789,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)nc1,XFDKGNKOJNXTOS-UHFFFAOYSA-N,4,1,0.612,35,509,427.443,3.712,5,0.408,0.73,1.0,0.9409139195394421,0.9354139538071414,0.5101004043588514,0.46796826811047904,0.7135991364539785
EOS-4-04790,Fc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c1,QNUVGNHYVZRXKT-UHFFFAOYSA-N,4,1,0.55,24,912,422.42,4.167,5,0.423,0.67,1.0,0.785072990199438,0.6859451031457748,0.7572561853197176,0.7543605647316839,0.7456587108491536
EOS-4-04791,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)c1,QXMAETOALBGZOV-UHFFFAOYSA-N,4,1,0.649,23,708,391.74,3.836,4,0.495,0.75,1.0,0.8124614488383249,0.9066033856486876,0.9606349804674115,0.9691162360359126,0.9122040127475842
EOS-4-04792,N#Cc1ccc(-c2nnc3cncc(CNc4cc(-c5ccc(Cl)nn5)cnn4)n23)cc1F,TYUJQFKIYHYJQE-UHFFFAOYSA-N,4,1,0.346,72,487,458.848,3.315,5,0.421,0.67,1.0,0.14058323624151875,0.16865704886573915,0.6239120005482832,0.6433846206565691,0.39413422657802755
EOS-4-04793,Fc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,OIEYKADBXKJQMV-UHFFFAOYSA-N,4,1,0.552,11,0,436.834,4.255,5,0.393,0.65,1.0,0.9009663491193202,0.8499503118360633,0.7228428483311631,0.7517733534370502,0.8063832156808992
EOS-4-04794,COc1cc(-c2nnc3cncc(COc4ccc(F)cn4)n23)ccc1-c1ccc(F)nn1,OUXFRFSNDRMBSK-UHFFFAOYSA-N,4,1,0.385,14,351,447.405,3.509,5,0.39,0.64,1.0,0.6836663011445412,0.6859536700705915,0.6862449455143582,0.5744037420327599,0.6575671646905628
EOS-4-04795,Clc1ccc(-c2nnc3cncc(OCc4cnc(-c5ccccc5Cl)cn4)n23)cn1,ZIKOCKBIKLWSDL-UHFFFAOYSA-N,4,1,0.461,97,401,450.289,4.529,5,0.364,0.68,1.0,0.6383644027140017,0.8561613323281475,0.7072681790144609,0.7976406689054897,0.749858645740525
EOS-4-04796,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncc[nH]4)nc3Cl)n12,ABUBQKXTHJKPFM-UHFFFAOYSA-N,4,1,0.495,65,271,436.838,3.385,5,0.406,0.56,1.0,0.8073469947227743,0.7813549448290041,0.5068278390788843,0.545310465355356,0.6602100609965047
EOS-4-04797,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)ncc1Cl,FHMJGVQAXMTNKS-UHFFFAOYSA-N,4,1,0.576,11,275,436.834,4.255,5,0.393,0.72,1.0,0.9318929477074909,0.8622695497224316,0.7507795901583167,0.7595863888698513,0.8261321191145228
EOS-4-04798,CNC(=O)c1ccc(-c2nnc3cncc(C(C)(C)c4ccc(Cl)cn4)n23)cc1F,DQWRJYDJLZFHAD-UHFFFAOYSA-N,4,1,0.44,66,306,424.867,3.664,4,0.54,0.83,1.0,0.3743917483380166,0.387816119525735,0.7530755260091837,0.5899698444246453,0.5263133095743951
EOS-4-04799,N#Cc1cc(-c2nnc3cncc(COc4cccnc4F)n23)ccc1-c1cscn1,HSIAWPJSNWTHLU-UHFFFAOYSA-N,4,1,0.404,14,189,429.44,3.9,5,0.391,0.7,1.0,0.6499725858405867,0.6616493043657049,0.7435234048385991,0.6896717154410252,0.686204252621479
EOS-4-04800,Fc1ccc(Cl)nc1COc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,OTPAOONSLDUGAZ-UHFFFAOYSA-N,4,1,0.5,1,22,438.875,4.681,5,0.371,0.71,1.0,0.8230244671372764,0.8531800424919471,0.7334058666301144,0.762096497841135,0.7929267185251183
EOS-4-04801,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cccnn1,JWWXJFRUTNTHCM-UHFFFAOYSA-N,4,1,0.602,72,386,413.416,3.404,5,0.421,0.72,1.0,0.9474076485504763,0.9041104105270372,0.6089712836680146,0.5960523610444795,0.7641354259475018
EOS-4-04803,Fc1cc(Cl)ccc1Oc1cncc2nnc(-c3cc(-c4cscn4)ncn3)n12,DZFAIGMYTHAIRL-UHFFFAOYSA-N,4,1,0.389,44,971,425.836,4.29,5,0.424,0.76,1.0,0.567310328284559,0.6228754026454664,0.635365979028168,0.7009714892742102,0.6316307998081009
EOS-4-04804,CC(F)(c1ncc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1)C1CCC1,HYJBDGHNJIPDPW-UHFFFAOYSA-N,4,1,0.383,78,364,423.883,4.205,5,0.447,0.59,0.993,0.3627578644369817,0.48231786717839764,0.1794770749091906,0.3858114591186348,0.3525910664108012
EOS-4-04805,CCc1nc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1ncc(F)cn1,WPLHEGGGFOPHHG-UHFFFAOYSA-N,4,1,0.426,46,665,463.423,4.202,5,0.373,0.7,0.936,0.7413645397847989,0.7241193201288465,0.6448666986498527,0.657597148927421,0.6919869268727298
EOS-4-04806,N#Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)ccn1,UQVLYVJWIFUYEL-UHFFFAOYSA-N,4,1,0.581,11,922,453.893,4.395,5,0.375,0.74,1.0,0.9689020629154959,0.9717377150298129,0.7830597628675211,0.7861438558015215,0.8774608491535878
EOS-4-04807,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1-c1ccon1,LSMPXIIUKPTDGG-UHFFFAOYSA-N,4,1,0.5,1,383,435.39,4.312,5,0.393,0.76,1.0,0.9351312452881914,0.7471386471112329,0.8875162771571516,0.8269052840792269,0.8491728634089507
EOS-4-04808,Cc1coc(-c2cc(-c3nnc4cncc(OCc5ccncc5F)n34)ccc2F)n1,UQFYFZKMDYRULD-UHFFFAOYSA-N,4,1,0.524,59,253,420.379,4.007,5,0.424,0.75,1.0,0.8797803440477007,0.7380834075800151,0.7830683297923378,0.7227057775340964,0.7809094647385375
EOS-4-04809,Cc1cc(-c2ncsc2CNCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1F,GZQXNUJDGCQIMD-UHFFFAOYSA-N,4,1,0.337,14,416,481.507,4.985,5,0.353,0.66,0.997,0.27744842711260365,0.34957336714412995,0.7621050647659516,0.7122112946336783,0.5253345384140908
EOS-4-04810,NC(=O)c1ccc(-c2nnc3cncc(CNc4ncc(F)cc4Cl)n23)cc1F,DSQCLNFWSIGZTI-UHFFFAOYSA-N,4,1,0.4,90,678,415.791,2.829,4,0.518,0.71,1.0,0.22375094236172982,0.25921801110273457,0.6060842300047975,0.6143941470769653,0.42586183263655675
EOS-4-04813,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1Cl,XJROWIVBBFPLMM-UHFFFAOYSA-N,4,1,0.506,90,708,447.257,3.571,4,0.503,0.85,1.0,0.7353419916386814,0.6138372969638819,0.7306216160646974,0.7466931670207663,0.7066235179220067
EOS-4-04814,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)n1,AWOPIERAFPCVHY-UHFFFAOYSA-N,4,1,0.568,35,626,461.888,4.366,5,0.347,0.74,1.0,0.9694246453293126,0.960309437324378,0.6755277225687067,0.6606384072373381,0.8164750531149338
EOS-4-04815,Fc1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1-c1ncccn1,OUULLTCRDNVRQB-UHFFFAOYSA-N,4,1,0.5,37,325,466.839,3.591,5,0.374,0.68,1.0,0.9243283530943732,0.9368274964018916,0.557535467068741,0.6286666438215338,0.7618394900966349
EOS-4-04816,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cc(F)cc(Br)c4)n23)cc1F,NWTOUJDKSSBOOM-UHFFFAOYSA-N,4,1,0.43,23,678,473.281,3.804,4,0.461,0.89,1.0,0.37195017476526626,0.3783839353025838,0.7715543828387362,0.7094184771434446,0.5578267425125077
EOS-4-04817,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccccc5)nc4Cl)n23)ccc1F,REPWBWGBWQNQOO-UHFFFAOYSA-N,4,1,0.494,1,92,446.873,4.928,5,0.356,0.76,1.0,0.7139846480707285,0.8140634637790419,0.7124426016037283,0.7336114728257145,0.7435255465698033
EOS-4-04818,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4F)n23)ccc1F,YYTPDQCVTSRBPS-UHFFFAOYSA-N,4,1,0.512,4,702,447.43,4.039,5,0.401,0.73,1.0,0.6471112329518196,0.772873689260503,0.8289013775615105,0.8062504283462408,0.7637841820300184
EOS-4-04819,Fc1cnc(-c2cc(F)c(-c3nnc4cncc(OCc5ccc(F)nn5)n34)cn2)nc1,QJFXGBABPMCDQJ-UHFFFAOYSA-N,4,1,0.461,73,775,437.345,2.43,5,0.409,0.65,1.0,0.6926273045027757,0.7103437050236447,0.42174970872455625,0.44594270440682615,0.5676658556644507
EOS-4-04820,CC(C)(c1ncc(Cc2cncc3nnc(-c4ccc(C#N)cc4)n23)cn1)C(F)F,ZJIUKVNCSWTMIL-UHFFFAOYSA-N,4,1,0.472,66,364,405.412,3.586,4,0.504,0.64,1.0,0.4141165787129052,0.4296398464807073,0.8002193132753067,0.689680282365842,0.5834140052086902
EOS-4-04821,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c1,NKHCPZJYJKJRFB-UHFFFAOYSA-N,4,1,0.527,47,164,454.828,3.525,5,0.391,0.59,1.0,0.9449489411280927,0.9202419299568227,0.714901309026112,0.7569392091015009,0.8342578473031321
EOS-4-04822,Fc1ccc(-c2nc(-c3cncc4nnc(-c5ccc(-c6cncnn6)nc5)n34)ccc2F)cn1,NNJUFMHKDKKZGT-UHFFFAOYSA-N,4,1,0.294,76,968,466.415,3.441,6,0.36,0.66,0.935,0.30707285312864097,0.4067233225961209,0.554545610307724,0.5839644301281612,0.46307655404016174
EOS-4-04823,FC(F)(F)Oc1ccc(-c2nnc3cncc(OCc4nc(-c5cccnc5)ns4)n23)cc1,CVIGFXURNCNGEV-UHFFFAOYSA-N,4,1,0.571,27,996,471.424,4.182,5,0.364,0.72,1.0,0.6685285449934891,0.7813635117538208,0.7978805428003564,0.7122198615584949,0.7399981152765402
EOS-4-04824,FCCNCCc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1,FDWKMZXMULWIIK-UHFFFAOYSA-N,4,1,0.483,90,12,426.883,3.52,4,0.326,0.78,0.999,0.44654238914399286,0.3592711260365979,0.5677558083750257,0.555059625796724,0.4821572373380851
EOS-4-04826,Oc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)nc1,NXDQQJBREZXLQU-UHFFFAOYSA-N,4,1,0.527,65,262,430.403,2.504,5,0.405,0.65,1.0,0.7735333424713865,0.7900075388938387,0.3440219998629292,0.287703036118155,0.5488164793365774
EOS-4-04827,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c1,YGQXTBLBGMHCQL-UHFFFAOYSA-N,4,1,0.622,11,28,452.902,4.724,5,0.347,0.64,1.0,0.8402782537180453,0.9146734288259887,0.6563121102049209,0.714849907477212,0.7815284250565417
EOS-4-04828,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)cc2F)n1,GRZASKSUBBRNOS-UHFFFAOYSA-N,4,1,0.578,4,71,447.861,4.323,5,0.396,0.73,1.0,0.835309437324378,0.8709649784113495,0.6834521280241245,0.6751422109519567,0.7662171886779521
EOS-4-04829,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccnnc1,XOIASTRJSGUBMS-UHFFFAOYSA-N,4,1,0.552,37,202,447.861,4.057,5,0.387,0.67,1.0,0.9268213282160236,0.9493694743334933,0.7715629497635529,0.7997909670344733,0.8618861798368858
EOS-4-04830,Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)ccc1Cl,GZQHYVKNZDPKDT-UHFFFAOYSA-N,4,1,0.542,90,400,408.824,3.78,4,0.499,0.73,1.0,0.9577736275786444,0.9682681104790625,0.8142519361250086,0.815194297854842,0.8888719930093893
EOS-4-04831,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4C)n23)cc1F,DNQZLRKNORHPIG-UHFFFAOYSA-N,4,1,0.418,23,678,442.857,4.003,4,0.488,0.8,1.0,0.36276643136179837,0.447467617024193,0.826956685628127,0.7621050647659516,0.5998239496950175
EOS-4-04834,Fc1cc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)ccc1-c1ncno1,KYGGPQCZVLNFKV-UHFFFAOYSA-N,4,1,0.462,73,526,442.773,3.142,5,0.378,0.72,1.0,0.8149544239599753,0.7471472140360497,0.5677643752998424,0.593096771982729,0.6807406963196491
EOS-4-04835,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccn2)cn1,DFPCSPAPPPJIAL-UHFFFAOYSA-N,4,1,0.517,65,454,462.876,3.761,5,0.375,0.68,1.0,0.8518521691453635,0.8434051812761291,0.6089798505928312,0.5808974710437941,0.7212836680145295
EOS-4-04836,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)c1,LTSBIXRQMXWJAQ-UHFFFAOYSA-N,4,1,0.511,24,699,431.406,3.543,5,0.406,0.69,1.0,0.802121170584607,0.8330306353231444,0.5837502570077445,0.6081231581111645,0.7067563052566651
EOS-4-04837,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)c(F)c1,DOARVJPVEUPDJN-UHFFFAOYSA-N,4,1,0.506,88,141,470.892,4.863,5,0.352,0.64,1.0,0.9148961688712219,0.9066119525735042,0.7955075046261394,0.8391045850181619,0.8640300527722569
EOS-4-04838,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)c(F)c2)n1,JVRUTZQGTSTFLD-UHFFFAOYSA-N,4,1,0.435,73,79,439.361,2.373,5,0.384,0.63,1.0,0.6412086217531355,0.6371307655404016,0.49605921458433283,0.46797683503529575,0.5605938592282914
EOS-4-04839,FCc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ncco1,QUTBWGDOSSFOSC-UHFFFAOYSA-N,4,1,0.455,51,196,437.822,3.938,5,0.393,0.59,1.0,0.817541635254609,0.7428123500788157,0.4861130148721815,0.4829946542389144,0.6323654136111301
EOS-4-04840,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn5ccc(F)cc5n4)n23)c(F)c1F,GSKVZSDHHPSVOZ-UHFFFAOYSA-N,4,1,0.302,74,26,437.385,3.273,5,0.466,0.75,1.0,0.30464841340552395,0.36894318415461586,0.6780892330888905,0.6869645671989583,0.5096613494619971
EOS-4-04841,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)n1,DUVSJLITDXULNJ-UHFFFAOYSA-N,4,1,0.511,11,275,464.316,4.572,5,0.34,0.72,1.0,0.9281063669385238,0.9146819957508053,0.6149338633404153,0.6928157768487424,0.7876345007196217
EOS-4-04842,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncn4)n23)ccc1Cl,YIPQLYFELBRWSG-UHFFFAOYSA-N,4,1,0.484,4,354,441.842,3.142,5,0.404,0.61,1.0,0.7381519429785485,0.914690562675622,0.6834606949489411,0.6692653005277226,0.7513921252827085
EOS-4-04843,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4F)n23)c(F)c1,BHEJESQSUZHITM-UHFFFAOYSA-N,4,1,0.349,0,129,467.451,3.995,5,0.463,0.76,0.997,0.42341169213898977,0.5374031937495717,0.9106726749366048,0.8814594613117676,0.6882367555342335
EOS-4-04844,Cc1nc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4)n23)n(C(F)F)n1,AQARORYBIQGMBM-UHFFFAOYSA-N,4,1,0.338,61,121,422.374,3.954,5,0.408,0.76,1.0,0.2046038653964773,0.37362929202933315,0.6239205674730999,0.637713316427935,0.45996676033171136
EOS-4-04845,CCOc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1C(C)(F)F,YFZDGFWXHXNWMX-UHFFFAOYSA-N,4,1,0.378,0,188,481.478,5.0,5,0.402,0.89,1.0,0.5306096223699541,0.5467582756493728,0.8932389829346857,0.8269138510040436,0.6993801829895141
EOS-4-04846,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)n1,FKNXSXXWDPHMRT-UHFFFAOYSA-N,4,1,0.5,1,22,422.42,4.167,5,0.396,0.68,1.0,0.8098656706188746,0.8023696114042903,0.7358560071276814,0.722714344458913,0.7677014084024398
EOS-4-04847,COc1cc(COc2cncc3nnc(-c4ccc(-c5cc(F)ncn5)nc4)n23)c(F)cn1,BJYAQTHPUFCKJG-UHFFFAOYSA-N,4,1,0.426,55,283,448.393,2.904,5,0.362,0.62,1.0,0.8329449660749777,0.7728822561853197,0.6118669042560483,0.4710266602700295,0.6721801966965938
EOS-4-04848,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cnc1-c1ccsc1,XVNJOUDRZVVDIS-UHFFFAOYSA-N,4,1,0.484,87,307,454.437,4.349,5,0.38,0.62,1.0,0.7821688026865876,0.7900161058186553,0.7507881570831334,0.77445000342677,0.7743557672537866
EOS-4-04850,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)cc1F,VQMJTJLQGJSDGL-UHFFFAOYSA-N,4,1,0.541,97,409,429.44,3.9,5,0.417,0.73,1.0,0.8630662737303817,0.7939568912343226,0.6943321225412926,0.6258224247824001,0.7442944280720992
EOS-4-04851,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)ccc1F,WFBXXMFAGXKXKE-UHFFFAOYSA-N,4,1,0.472,7,540,425.387,2.628,5,0.417,0.68,1.0,0.720367007059146,0.7981718182441231,0.4893427455280652,0.42707833596052364,0.6087399766979645
EOS-4-04852,Fc1cnnc(COc2cncc3nnc(-c4ccc(-c5ncccn5)cc4F)n23)c1,QPMCAUBSYSBCDU-UHFFFAOYSA-N,4,1,0.488,73,534,418.367,2.896,5,0.429,0.67,1.0,0.708013501473511,0.777131450894387,0.5442738674525393,0.5453190322801728,0.6436844630251525
EOS-4-04853,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1Cl,PJWGMFNAQQTWOH-UHFFFAOYSA-N,4,1,0.646,90,636,394.797,3.472,4,0.515,0.77,1.0,0.9610547597834281,0.979730655883764,0.9106812418614214,0.917474813241039,0.9422353676924131
EOS-4-04854,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccon5)cc4Cl)n23)ccn1,PKNXJYXSBMUSSJ-UHFFFAOYSA-N,4,1,0.583,11,0,436.834,4.255,5,0.367,0.71,1.0,0.8329535329997944,0.802378178329107,0.7830768967171544,0.7954818038516894,0.8034726029744362
EOS-4-04855,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cn1,CXAPANSPVYTVPR-UHFFFAOYSA-N,4,1,0.435,78,345,467.455,3.659,5,0.445,0.77,1.0,0.1991210335138099,0.2541720923857172,0.05192413131382359,0.12763861284353367,0.15821396751422107
EOS-4-04856,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,FCPKSUIMTDLTJH-UHFFFAOYSA-N,4,1,0.536,18,262,414.404,2.799,5,0.391,0.74,1.0,0.8583373312315811,0.8218936330614762,0.2704321156877527,0.26121410458501815,0.5529692961414571
EOS-4-04858,COc1ncc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1-c1ccc(F)nn1,KYAMZNAGIVXABG-UHFFFAOYSA-N,4,1,0.511,43,16,447.405,3.509,5,0.39,0.69,1.0,0.7353505585634981,0.6809077513535742,0.6642964841340553,0.5931053389075458,0.6684150332396683
EOS-4-04859,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)cn2)nc1,KJOVWLRPBFPSIG-UHFFFAOYSA-N,4,1,0.461,73,775,453.8,2.944,5,0.396,0.57,1.0,0.7324549379754643,0.7286255225824139,0.4142022479610719,0.4860701802480981,0.590338222191762
EOS-4-04860,Fc1cnc(COc2cncc3nnc(-c4ccnc(-c5cncc(F)c5)c4)n23)nc1,FJAYPYKFCUWNIA-UHFFFAOYSA-N,4,1,0.465,51,196,418.367,2.896,5,0.429,0.7,1.0,0.67469673086149,0.6322733191693509,0.5240130902611199,0.5251781920361867,0.5890403330820368
EOS-4-04861,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)cc1F,QYTIKNKZJMBZOE-UHFFFAOYSA-N,4,1,0.523,90,133,430.802,3.057,4,0.523,0.79,1.0,0.7016482763347269,0.622883969570283,0.7913868137893222,0.7439431841546159,0.714965560962237
EOS-4-04862,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c1F,FVKDXPSOOBJELT-UHFFFAOYSA-N,4,1,0.516,24,699,431.406,3.543,5,0.406,0.7,1.0,0.8124700157631417,0.8622781166472483,0.5804948255774107,0.5839729970529779,0.7098039887601946
EOS-4-04863,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,DSCYEJREJVEQDX-UHFFFAOYSA-N,4,1,0.578,72,386,414.404,2.799,5,0.418,0.72,1.0,0.8926221643478857,0.9292971694880405,0.48935131245288194,0.479884860530464,0.697788876704818
EOS-4-04865,Fc1cc(-c2ncon2)cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)c1,SLPDYKFSKVBUMD-UHFFFAOYSA-N,4,1,0.524,73,82,426.318,2.628,5,0.391,0.68,1.0,0.6412171886779522,0.5467668425741896,0.5376173668699884,0.5353299979439381,0.565232849016517
EOS-4-04866,Cc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(Br)c(CF)c5)n34)cn2)cn1,MDXBYBVBOBPXJV-UHFFFAOYSA-N,4,1,0.37,50,845,477.301,4.246,5,0.382,0.58,1.0,0.29941402234253994,0.45620588033719417,0.5307466931670207,0.5153861969707354,0.45043819820437253
EOS-4-04867,COc1c(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc(F)c1-c1ccc(F)cn1,YKXJNBYOCSTUMC-UHFFFAOYSA-N,4,1,0.505,84,202,461.432,3.552,5,0.363,0.59,1.0,0.8255517099581934,0.6759732026591735,0.6505123021040368,0.5869114522650949,0.6847371667466247
EOS-4-04868,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccsc5)c4)n23)cn1,PXOCOEKCLRFGSD-UHFFFAOYSA-N,4,1,0.55,97,91,417.469,4.941,5,0.405,0.78,1.0,0.823033034062093,0.7771400178192036,0.8390874511685286,0.7997995339592899,0.8097650092522788
EOS-4-04869,FC(F)c1ccc(COc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)nc1,PQNMQHZZWAUQMT-UHFFFAOYSA-N,4,1,0.517,27,441,432.394,3.555,5,0.401,0.69,1.0,0.5024929751216504,0.528159481872387,0.795516071550956,0.7035844013432938,0.6324382324720719
EOS-4-04870,Fc1cccc(F)c1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,NGLYBTOXLSRXRH-UHFFFAOYSA-N,4,1,0.471,59,332,422.42,4.167,5,0.423,0.76,1.0,0.7533239668288672,0.6186090740867658,0.7691213761908026,0.7720426975532863,0.7282742786649304
EOS-4-04871,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)cc1F,SQFKSNYTGSEHRW-UHFFFAOYSA-N,4,1,0.473,36,908,452.4,3.461,5,0.364,0.61,1.0,0.7016568432595436,0.7057261325474607,0.6387499143307518,0.6346549242683847,0.6701969536015352
EOS-4-04872,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4F)n23)c1F,RIVFRYPVASAFMN-UHFFFAOYSA-N,4,1,0.478,58,265,438.373,3.01,5,0.406,0.48,0.99,0.8425484887944623,0.7687101637996024,0.6809248852032075,0.672169488040573,0.7410882564594613
EOS-4-04873,Cc1nccc(COc2cncc3nnc(-c4cc(C#N)cc(-c5cccnc5)c4)n23)c1Cl,NSLUHIWMBKUGTI-UHFFFAOYSA-N,4,1,0.494,97,606,453.893,4.661,5,0.381,0.69,1.0,0.7590038379823179,0.790024672743472,0.8682835309437325,0.8552104036734973,0.8181306113357549
EOS-4-04874,Cc1cc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)n(C)c1Cl,ILEAELUSLWWNAW-UHFFFAOYSA-N,4,1,0.437,13,724,487.297,5.878,5,0.317,0.61,0.995,0.7170944417791789,0.8179100130217257,0.9469707353848262,0.9490439311904598,0.8577547803440477
EOS-4-04875,FCc1cnc(Cc2cncc3nnc(-c4nc(Cc5ccc(F)c(F)c5)no4)n23)cn1,JHWSUIBCMYGQOP-UHFFFAOYSA-N,4,1,0.33,85,674,438.373,2.894,5,0.398,0.65,1.0,0.2590209718319512,0.29043588513467206,0.29285175793297236,0.38937529984236857,0.30792097868549106
EOS-4-04876,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1Cl,ZBCDENULJDPNBG-UHFFFAOYSA-N,4,1,0.705,48,378,425.851,3.565,4,0.51,0.87,1.0,0.8282245905009937,0.6416112672195189,0.7483722842848332,0.7279059008978137,0.73652851072579
EOS-4-04877,CCc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ccc1-c1ncc(F)cn1,MSADZWOMCBRELO-UHFFFAOYSA-N,4,1,0.449,46,16,463.423,4.202,5,0.373,0.68,0.928,0.7413731067096155,0.7103522719484614,0.629463367829484,0.6406432047152354,0.6804579878006991
EOS-4-04878,N#Cc1ccc(COCc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)cc1F,HTVUZRQIDMLLHD-UHFFFAOYSA-N,4,1,0.51,47,164,444.405,3.443,5,0.426,0.67,1.0,0.6383729696388184,0.6088770474950311,0.8851689397573846,0.8635888561441984,0.7490019532588581
EOS-4-04879,Cn1nc(Cc2ccc(F)nn2)cc1Cc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,UHNJBIQMCSKSFH-UHFFFAOYSA-N,4,1,0.362,22,476,452.856,3.428,5,0.406,0.59,1.0,0.36971420738811595,0.5374117606743883,0.5545541772325406,0.6520800493454869,0.5284400486601329
EOS-4-04880,FCc1cc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cnn2)ccn1,CFAPSQRUTKAYHN-UHFFFAOYSA-N,4,1,0.495,43,483,431.406,3.831,5,0.404,0.51,1.0,0.5985967377150299,0.5852152011513947,0.7358645740524982,0.7201271331642793,0.6599509115208005
EOS-4-04881,Fc1ccc(-c2nnc3cncc(Cc4cnc(-c5ncc(F)cn5)nc4)n23)cc1,RCDOSQCLTVGCPV-UHFFFAOYSA-N,4,1,0.441,73,260,402.368,2.907,5,0.456,0.74,1.0,0.4440579809471592,0.5467754094990063,0.4106041395380714,0.49825234733739976,0.47492246933040916
EOS-4-04882,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4F)n23)ccn1,MPQNQICPGNIGDG-UHFFFAOYSA-N,4,1,0.542,35,143,421.367,3.136,5,0.385,0.66,1.0,0.8447930230964293,0.7195188815022959,0.5805033925022274,0.5353385648687548,0.6700384654924268
EOS-4-04883,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5)n34)c(Cl)c2)n[nH]1,PBCOEYLGWWRZQH-UHFFFAOYSA-N,4,1,0.598,43,146,435.85,4.256,5,0.443,0.78,1.0,0.8718388047426496,0.879232060859434,0.7334144335549311,0.7621136316907683,0.8116497327119458
EOS-4-04884,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)c1,ILFSQAPWAAZTAI-UHFFFAOYSA-N,4,1,0.482,51,199,434.822,3.41,5,0.414,0.63,1.0,0.6747052977863066,0.6759817695839901,0.47534439037763004,0.5353471317935714,0.5903446473853745
EOS-4-04885,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)nc4OC)n23)c(F)c1Cl,NMNFELIRKHRSPS-UHFFFAOYSA-N,4,1,0.337,90,129,447.257,3.667,4,0.48,0.67,1.0,0.5306181892947708,0.5698547049551093,0.7072767459392776,0.6782177369611404,0.6214918442875745
EOS-4-04886,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,DHMLBYKGHDUOAV-UHFFFAOYSA-N,4,1,0.511,37,202,448.849,3.452,5,0.364,0.64,1.0,0.8303920224796107,0.9221266534164896,0.577470701117127,0.6081317250359811,0.7345302755123021
EOS-4-04887,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ncccn5)n34)c(F)n2)cn1,HGXVTIUBMULMKQ-UHFFFAOYSA-N,4,1,0.435,51,143,425.387,2.628,5,0.39,0.71,1.0,0.7203755739839627,0.8101740799122746,0.4255619902679734,0.3893838667671852,0.586373877732849
EOS-4-04888,Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)cc4)n23)c1F,BLHYOCFHCMXOAU-UHFFFAOYSA-N,4,1,0.612,35,922,426.455,4.317,5,0.402,0.71,1.0,0.897873689260503,0.8994842711260366,0.7409961620176821,0.6869731341237749,0.8063318141319992
EOS-4-04889,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,NHBYBPDNCQFYDU-UHFFFAOYSA-N,4,1,0.527,65,262,414.404,2.799,5,0.391,0.76,1.0,0.8738348982249332,0.8735007881570831,0.314808786238092,0.29086423137550543,0.5882521759989034
EOS-4-04891,Cc1cc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)ccc1Cl,CPHKXHOYXLNGKP-UHFFFAOYSA-N,4,1,0.329,45,581,417.835,4.411,5,0.432,0.83,1.0,0.2536666438215338,0.42515934480159,0.7358731409773148,0.85021588650538,0.5662287540264547
EOS-4-04892,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5F)nc4)n23)cn1,KDOHLSKOGWISDK-UHFFFAOYSA-N,4,1,0.479,87,76,432.394,2.938,5,0.377,0.75,0.996,0.8304005894044274,0.8295181961483106,0.46506408059762866,0.45226509492152694,0.6443119902679734
EOS-4-04893,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)nc3Cl)n12,WLPRJKCECLORSJ-UHFFFAOYSA-N,4,1,0.5,58,271,448.849,3.452,5,0.364,0.6,1.0,0.8872592694126517,0.8896494414365019,0.5030755260091837,0.5615447878829415,0.7103822561853197
EOS-4-04894,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ncc(Cl)cc5F)cn4)n23)cc1F,ZGPUDZVVUYDBBA-UHFFFAOYSA-N,4,1,0.358,50,845,464.823,3.341,5,0.432,0.68,1.0,0.2994225892673566,0.39712836680145297,0.647668083064903,0.6954972243163594,0.509929065862518
EOS-4-04895,Fc1cc2cccnc2cc1-c1ccc(-c2nnc3cncc(-c4cnc(C5CC5)nn4)n23)cc1,YALAFOUIZCGAKS-UHFFFAOYSA-N,4,1,0.303,3,787,460.476,4.875,7,0.37,0.68,1.0,0.36742683846206564,0.5010108971283668,0.30727845932424097,0.5550681927215406,0.43269609690905353
EOS-4-04896,Fc1cc(CCOc2cncc3nnc(-c4cccc(-c5ccsc5)c4)n23)ccn1,CMNMULONIPNXRK-UHFFFAOYSA-N,4,1,0.59,35,352,417.469,4.675,5,0.376,0.76,1.0,0.7792303474744706,0.7559197450483175,0.7668597080392022,0.759594955794668,0.7654011890891645
EOS-4-04897,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4Cl)n23)ccn1,IWIPQAADMHZFGS-UHFFFAOYSA-N,4,1,0.495,58,578,436.838,3.385,5,0.406,0.59,1.0,0.8379480501679117,0.8101826468370914,0.4960677815091495,0.5251867589610033,0.667346309368789
EOS-4-04898,Fc1cc(-c2cn3ccnc3nn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,ODHVPHQXNQFNME-UHFFFAOYSA-N,4,1,0.429,71,208,474.847,3.058,6,0.371,0.63,1.0,0.7850815571242546,0.7857240764855048,0.38560585292303473,0.4679854019601124,0.6060992221232266
EOS-4-04899,Fc1cnc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cccc(Cl)n6)cn5)n34)cn2)cn1,ZWNGCKKEKVXZGS-UHFFFAOYSA-N,4,1,0.342,86,443,482.87,3.955,6,0.344,0.68,1.0,0.31753306832979233,0.4386522513878418,0.4616287437461449,0.5286306627373039,0.43661118155027073
EOS-4-04900,N#Cc1cc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)ccc1Br,CKBSTFCJYZVPNY-UHFFFAOYSA-N,4,1,0.367,50,845,456.267,3.339,5,0.406,0.68,1.0,0.28306832979233776,0.4428928791720924,0.6387584812555686,0.6464858474402029,0.5028013844150504
EOS-4-04901,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ncco4)nc3Cl)n12,KIMACGWRQOXCFR-UHFFFAOYSA-N,4,1,0.53,58,28,437.822,3.65,5,0.371,0.63,1.0,0.7935114111438558,0.7687187307244192,0.44387807552600916,0.46799396888492906,0.6185255465698033
EOS-4-04902,N#Cc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1Cl,ANXWNZLMNJGFRY-UHFFFAOYSA-N,4,1,0.615,90,636,394.797,3.472,4,0.481,0.78,1.0,0.9689106298403125,0.9833116304571311,0.8851775066822014,0.8938558015214858,0.9328138921252827
EOS-4-04903,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)c1F,BASDQRQZGOHDJX-UHFFFAOYSA-N,4,1,0.463,87,143,454.437,4.349,5,0.355,0.64,1.0,0.7764546638338702,0.8256802138304434,0.7280943732437805,0.7467017339455829,0.7692327462134192
EOS-4-04905,Cc1cc(-c2nnc3cncc(COc4ccncc4Cl)n23)ccc1-c1cncnc1Cl,ISKCSLCWJDWMOM-UHFFFAOYSA-N,4,1,0.392,14,767,464.316,4.838,5,0.344,0.75,1.0,0.5728531286409431,0.4870725104516483,0.8214824206702762,0.8249006236721267,0.6765771708587486
EOS-4-04906,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,QSTNVZQIJCIEOI-UHFFFAOYSA-N,4,1,0.622,35,559,436.447,4.21,5,0.397,0.66,1.0,0.9134226578027551,0.9041189774518539,0.7553029264615174,0.7467103008703996,0.8298887156466315
EOS-4-04907,O=C(c1ccc(-c2nnc3cncc(-c4ccccc4Cl)n23)cc1F)N1CCCCC1,FBIFUIIHXZLYGX-UHFFFAOYSA-N,4,1,0.359,0,21,435.89,4.877,5,0.46,0.91,1.0,0.19343259543554245,0.29557604002467275,0.037548831471455005,0.36361455691864847,0.2225430059625797
EOS-4-04908,Fc1cc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ccc1-c1csnn1,KRVQKADSBNAJSO-UHFFFAOYSA-N,4,1,0.365,14,476,454.441,4.394,5,0.407,0.64,0.998,0.10581008841066411,0.2335515043519978,0.7955246384757727,0.7336200397505311,0.4671265677472415
EOS-4-04909,N#Cc1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1ccon1,SWRXMDAFRDJJTO-UHFFFAOYSA-N,4,1,0.472,97,666,431.362,3.57,5,0.388,0.63,0.999,0.8540967034473306,0.714978411349462,0.8669984922212323,0.8369971215132616,0.8182676821328216
EOS-4-04910,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3-c3ccncc3)n12,MNBSWQZGGSCUBH-UHFFFAOYSA-N,4,1,0.534,28,942,490.502,4.466,6,0.323,0.58,0.993,0.7935199780686725,0.8101912137619081,0.5408556644506888,0.5321773696114043,0.6691860564731684
EOS-4-04911,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)c1,AUKDTEFNDYGREJ-UHFFFAOYSA-N,4,1,0.568,35,352,452.902,4.724,5,0.347,0.56,1.0,0.9189825920087725,0.9126687684188883,0.7668682749640189,0.7976492358303063,0.8490422178054965
EOS-4-04912,FC(F)(F)Oc1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)nc4)n23)nc1,RPWNDHSWVUJZGE-UHFFFAOYSA-N,4,1,0.547,27,69,456.344,3.109,5,0.376,0.66,1.0,0.6471197998766363,0.6566633541224042,0.8161537934343088,0.6606469741621548,0.695145980398876
EOS-4-04913,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(F)c4F)n23)cc1,IQDWXQPNZHIHAL-UHFFFAOYSA-N,4,1,0.423,23,678,426.402,3.57,4,0.461,0.84,1.0,0.405198409978754,0.4562144472620108,0.7932629703241725,0.6751507778767734,0.5824566513604277
EOS-4-04914,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,PFRBAGSTPLVRLB-UHFFFAOYSA-N,4,1,0.541,97,744,446.442,4.644,5,0.365,0.7,1.0,0.6239634020971832,0.6469484613803029,0.9163868137893222,0.909815982454938,0.7742786649304365
EOS-4-04915,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)cc4F)n23)cc1F,NFRKJNKOSOYAMB-UHFFFAOYSA-N,4,1,0.427,23,678,412.375,3.18,4,0.526,0.9,1.0,0.38820163114248507,0.4474761839490097,0.8233414433554931,0.7596035227194846,0.6046556952916181
EOS-4-04916,O=C1CCCCN1Cc1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,SBFDETMBINMIGV-UHFFFAOYSA-N,4,1,0.402,78,345,450.905,4.082,5,0.458,0.79,0.977,0.22936227811664725,0.35927969296141454,0.018787266122952506,0.2114659721746282,0.20472380234391063
EOS-4-04917,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3F)n12,ZVVGZQLGWKATPD-UHFFFAOYSA-N,4,1,0.541,35,143,421.367,3.136,5,0.385,0.7,1.0,0.7935285449934891,0.7008429854019601,0.5868429168665615,0.5550767596463574,0.659072801727092
EOS-4-04920,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)nc1,VGVNZQUZJJHEHY-UHFFFAOYSA-N,4,1,0.617,35,509,427.443,3.712,5,0.408,0.76,1.0,0.9382667397710918,0.9306850113083408,0.5137499143307518,0.46461860050716197,0.7118300664793366
EOS-4-04921,Fc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)F)nn5)n34)cc2)s1,XBIKYYQKLPZQFA-UHFFFAOYSA-N,4,1,0.512,72,208,456.413,3.756,5,0.381,0.65,1.0,0.7233568638201631,0.7900332396682886,0.5710198067301762,0.4890000685353985,0.6433524946885066
EOS-4-04922,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)c1F,KEZRXTFQMSNZHO-UHFFFAOYSA-N,4,1,0.393,54,564,419.355,2.29,5,0.423,0.59,1.0,0.6926358714275923,0.5236875471180865,0.4582191076691111,0.45854465081214446,0.5332717942567335
EOS-4-04923,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncco5)c(F)c4)n23)cc1Cl,ZQZOUOWFQAVTHC-UHFFFAOYSA-N,4,1,0.364,96,648,448.845,4.265,5,0.441,0.84,1.0,0.4032023164964704,0.37839250222740045,0.7596634911932013,0.7439517510794326,0.5713025152491261
EOS-4-04924,N#CCCNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(C(F)(F)F)nn4)n23)cc1,FBUFBCLPSHKTTA-UHFFFAOYSA-N,4,1,0.404,66,264,452.4,2.834,4,0.447,0.81,1.0,0.2885340278253718,0.28514152559797135,0.7228514152559797,0.5321859365362209,0.45717822630388594
EOS-4-04925,Nc1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)cn4)n23)c(-c2ccc(F)nc2)c1,ISIHUTDIVPDQJK-UHFFFAOYSA-N,4,1,0.297,42,327,461.464,4.094,6,0.308,0.68,1.0,0.1518830100747036,0.190117195531492,0.6563206771297375,0.6377218833527517,0.4090106915221712
EOS-4-04926,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,WNIUPCUJZWPEEJ-UHFFFAOYSA-N,4,1,0.522,37,265,454.828,3.525,5,0.418,0.64,1.0,0.844801590021246,0.8362689329038449,0.8059762867521074,0.8330991707216777,0.830036495099719
EOS-4-04927,N#Cc1cc(-c2nnc3cncc(Cc4ccnc(-c5cncnn5)c4)n23)ccc1Cl,IAEBYUAJCYDHCA-UHFFFAOYSA-N,4,1,0.359,85,216,425.843,3.154,5,0.43,0.77,1.0,0.3444160784044959,0.47364813926392985,0.6643050510588719,0.7148584744020287,0.5493069357823316
EOS-4-04928,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)c(F)c4)n23)cc1F,OUTUQFOPEJMTIT-UHFFFAOYSA-N,4,1,0.364,0,188,470.386,2.927,5,0.462,0.82,1.0,0.3882101980673018,0.4605750119936947,0.6118754711808649,0.6896888492906587,0.53758738263313
EOS-4-04929,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(F)c5)c(Cl)c4)n23)cc1F,UNMOXVZANXXLHL-UHFFFAOYSA-N,4,1,0.333,96,648,477.862,4.207,5,0.389,0.8,1.0,0.30981426906997467,0.38782468645055174,0.8289099444863272,0.8211226098279761,0.5869178774587074
EOS-4-04930,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1F,CPYDCMHQEFUOAQ-UHFFFAOYSA-N,4,1,0.506,90,708,430.802,3.057,4,0.523,0.81,1.0,0.7503683777671167,0.5993163593996299,0.7306301829895141,0.6981786717839764,0.6946233979850593
EOS-4-04931,Cc1cc(F)nc(-c2nc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)n1,NBCJNBVRFLVHSS-UHFFFAOYSA-N,4,1,0.429,18,773,464.411,3.386,5,0.352,0.65,1.0,0.7764632307586868,0.7334058666301144,0.4687821259680625,0.4768693029949969,0.6138801315879652
EOS-4-04932,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nn4)n23)cc1F,VBZVUZVWUYMSQL-UHFFFAOYSA-N,4,1,0.464,54,411,425.387,2.628,5,0.417,0.63,0.991,0.787805839215955,0.6759903365088068,0.49958878760879993,0.4890086354602152,0.6130983996984443
EOS-4-04933,CCOc1cnc(-c2cncc3nnc(-c4ccc(-c5ccncc5)c(F)c4)n23)nc1,QGGZINPYKBGMEB-UHFFFAOYSA-N,4,1,0.349,82,856,413.416,3.848,5,0.432,0.79,1.0,0.5000428346240834,0.594801590021246,0.5868514837913782,0.5680470838187924,0.562435748063875
EOS-4-04934,Cn1cncc1-c1ccc(-c2nnc3cncc(CNCc4cccc(Cl)c4)n23)c(F)c1,YJKKLPLOCPPGDW-UHFFFAOYSA-N,4,1,0.362,14,291,447.905,4.274,5,0.42,0.77,1.0,0.319888972654376,0.40214858474402027,0.8102854499348914,0.8289699129600439,0.5903232300733329
EOS-4-04935,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)nc1C(F)F,VKTHLGXQCGYOJT-UHFFFAOYSA-N,4,1,0.494,24,28,473.415,4.5,5,0.265,0.63,0.997,0.6808563498046741,0.8219021999862929,0.8059848536769242,0.7388801315879652,0.7619058837639641
EOS-4-04937,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nn4)n23)c1,TWTKCMQKRNHUMS-UHFFFAOYSA-N,4,1,0.506,54,411,434.822,3.41,5,0.414,0.71,0.999,0.7989428414776232,0.7559283119731341,0.4438866424508259,0.5516671235693236,0.6376062298677267
EOS-4-04938,Fc1ncc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4Cl)n23)n1,JDEAJVCVBSREFO-UHFFFAOYSA-N,4,1,0.484,37,0,471.88,4.258,5,0.342,0.69,1.0,0.8202916181207593,0.8765249126173669,0.5964807072853129,0.6606555410869714,0.7384881947776026
EOS-4-04939,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4Cl)n23)cc1F,XXSSIDMBCIKADZ-UHFFFAOYSA-N,4,1,0.548,59,607,471.83,4.237,5,0.357,0.6,0.999,0.7989514084024398,0.8468148173531629,0.914382153382222,0.9206702761976561,0.8702046638338702
EOS-4-04940,Cc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cccnc1F,RZBUDHQRMLZTPU-UHFFFAOYSA-N,4,1,0.33,14,920,431.406,3.809,5,0.391,0.68,0.998,0.5986053046398465,0.5652542663285587,0.6862535124391749,0.6346634911932013,0.6211941436501953
EOS-4-04941,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cn5cccc5)cc4F)n23)cc1F,UJZPTTXCZBLJQH-UHFFFAOYSA-N,4,1,0.364,96,648,430.418,3.685,5,0.46,0.83,1.0,0.36972277431293266,0.31063669385237475,0.8564183400726475,0.8370056884380783,0.5934458741690083
EOS-4-04942,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nncs5)c(F)c4)n23)c1,VNXUEDONJNAPKX-UHFFFAOYSA-N,4,1,0.705,91,629,436.447,4.21,5,0.397,0.75,1.0,0.9319015146323076,0.9565656911794942,0.7458450414639161,0.7671595504077856,0.8503679494208758
EOS-4-04943,Clc1ncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c(Cl)n1,WTVICIWSEUXBNH-UHFFFAOYSA-N,4,1,0.5,65,324,466.292,3.362,5,0.274,0.58,1.0,0.832962099924611,0.8765334795421835,0.31846686313480915,0.38939243369200194,0.6043387190734014
EOS-4-04944,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)ccc1-c1nncs1,HGELBMSZVJDTQF-UHFFFAOYSA-N,4,1,0.529,34,712,441.398,3.701,5,0.384,0.72,1.0,0.7622592694126517,0.8362774998286615,0.7553114933863341,0.7467188677952162,0.7751417826057158
EOS-4-04945,Fc1cc(-c2cnc(COc3cncc4nnc(-c5cnc(Cl)nc5)n34)nc2)ncn1,GQQCLWUKPUQOTN-UHFFFAOYSA-N,4,1,0.396,51,434,436.798,2.2,5,0.298,0.65,0.999,0.6716554725515729,0.7514735110684668,0.2631330957439518,0.27902474127887056,0.4913217051607155
EOS-4-04946,COc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2F)cn1,ISNSPVOATPNPRS-UHFFFAOYSA-N,4,1,0.489,2,716,464.848,3.418,5,0.373,0.64,1.0,0.8304091563292441,0.7857326434103215,0.5511274073058735,0.48300322116373107,0.6625681070522925
EOS-4-04947,COc1ncc(F)cc1COc1cncc2nnc(-c3ccnc(-c4nccnc4F)c3)n12,HUYXKHMUALTFIX-UHFFFAOYSA-N,4,1,0.462,75,199,448.393,2.904,5,0.387,0.62,1.0,0.7562452881913508,0.6186176410115825,0.4365790555822082,0.3409122061544788,0.5380885477349051
EOS-4-04948,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cc1F,LUPQUGZFHOGQSX-UHFFFAOYSA-N,4,1,0.586,90,385,430.802,2.838,4,0.471,0.73,1.0,0.8046398464807073,0.5098091289150847,0.6834692618737578,0.6811133575491741,0.6697578987046809
EOS-4-04949,CCn1cncc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cn1,KEDOKWPGGOVZDT-UHFFFAOYSA-N,4,1,0.422,13,724,453.84,4.794,5,0.38,0.69,1.0,0.6559694332122541,0.7008515523267768,0.8142605030498252,0.8019583990130903,0.7432599719004866
EOS-4-04950,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)ccc1F,ZMGRWPKUYPWQTN-UHFFFAOYSA-N,4,1,0.478,4,702,447.43,4.039,5,0.375,0.69,1.0,0.692644438352409,0.7728908231101363,0.7203755739839627,0.6955057912411761,0.720354156671921
EOS-4-04951,Fc1nc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3cccnc3Cl)n12,CLFGJSKMXQVUPX-UHFFFAOYSA-N,4,1,0.53,58,28,437.822,3.65,5,0.371,0.58,1.0,0.8282331574258104,0.7900418065931053,0.44389520937564253,0.47687786991981357,0.634762010828593
EOS-4-04952,CC(C)(F)c1ccc(F)c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c1,XCSUFSNWMZIZAT-UHFFFAOYSA-N,4,1,0.369,0,188,451.452,4.833,5,0.472,0.84,1.0,0.3490764855047632,0.5056798711534508,0.9069631964909876,0.8884672058118018,0.6625466897402509
EOS-4-04953,COc1cc(-c2nnc3cncc(COCc4ccc(F)c(F)c4)n23)ccc1-c1nccs1,YFOOKELXYRMIJX-UHFFFAOYSA-N,4,1,0.655,14,257,465.485,4.918,5,0.34,0.77,1.0,0.8304177232540607,0.7334144335549311,0.8709564114865328,0.801966965937907,0.8091888835583578
EOS-4-04954,Cc1ncc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)cc1Cl,YOFCQAAKWDJOSI-UHFFFAOYSA-N,4,1,0.517,90,281,419.247,3.957,4,0.488,0.74,1.0,0.842557055719279,0.8709735453361661,0.7621136316907683,0.8191179494208759,0.8236905455417723
EOS-4-04955,Fc1nc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,HJHLJOJYMAZFPY-UHFFFAOYSA-N,4,1,0.453,37,24,466.839,3.591,5,0.35,0.62,1.0,0.807355561647591,0.8765420464670002,0.6448752655746693,0.6896974162154753,0.7546175724761839
EOS-4-04956,N#CCc1ccc(-c2cncc3nnc(-c4cnc(-c5ccccc5F)cn4)n23)cn1,DUTWSTJNRPGLCI-UHFFFAOYSA-N,4,1,0.338,96,478,408.4,3.515,5,0.448,0.82,1.0,0.3444246453293126,0.3878332533753684,0.6563292440545542,0.6981872387087931,0.5216935953670071
EOS-4-04957,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cnc(F)cc4Cl)n23)cc1F,PJINLXQRFPYPMP-UHFFFAOYSA-N,4,1,0.562,90,133,444.829,3.099,4,0.459,0.81,1.0,0.744405798094716,0.5852237680762113,0.7483808512096498,0.7094270440682613,0.6968593653622096
EOS-4-04958,N#Cc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3cccnc3Cl)n12,LEDCTZSTJWWFOW-UHFFFAOYSA-N,4,1,0.505,11,201,443.854,3.988,5,0.362,0.53,0.995,0.9134312247275718,0.8593567952847646,0.7072853128640944,0.7148670413268453,0.7987350935508191
EOS-4-04959,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)cc2C#N)nn1C,DXBWTTORFJBKKQ-UHFFFAOYSA-N,4,1,0.506,43,607,475.434,4.368,5,0.351,0.59,1.0,0.7016654101843602,0.7559368788979508,0.9406312110204921,0.9098245493797547,0.8270145123706394
EOS-4-04960,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)c(F)n1,ULPCRFXGIDDTAA-UHFFFAOYSA-N,4,1,0.518,58,28,455.425,3.744,5,0.36,0.61,1.0,0.8073641285724077,0.8709821122609828,0.6209050099376328,0.6081402919607978,0.7268478856829553
EOS-4-04962,CCc1ccc(C(C)(C)C)nc1COc1cncc2nnc(-c3ccc(Cl)c(C#N)c3)n12,GIKNWDJTZWWSIV-UHFFFAOYSA-N,4,1,0.506,63,636,446.942,5.15,4,0.421,0.68,1.0,0.7108919882119115,0.8023867452539236,0.7458536083887328,0.5453275992049894,0.7011149852648894
EOS-4-04963,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(C#N)c4)n23)c(F)c1F,QHSRFIAIRLBJKG-UHFFFAOYSA-N,4,1,0.349,23,129,408.343,3.107,4,0.562,0.79,1.0,0.36506236721266533,0.4605835789185114,0.9386008498389418,0.9238828730039065,0.6720324172435063
EOS-4-04964,Fc1cc(F)c(Oc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)cn1,DTNOFAYHVNBTFS-UHFFFAOYSA-N,4,1,0.422,13,284,408.393,4.38,5,0.411,0.71,1.0,0.6716640394763895,0.7286340895072305,0.7668768418888355,0.7439603180042492,0.7277838222191761
EOS-4-04965,COc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2)nc1,XVPSLQGCAQJQBG-UHFFFAOYSA-N,4,1,0.425,54,251,434.366,3.117,5,0.412,0.71,1.0,0.6958313343842094,0.6186262079363991,0.4753529573024467,0.4489839627167432,0.5596986155849496
EOS-4-04966,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)c(F)c1F,DVMQAGFIRHBABP-UHFFFAOYSA-N,4,1,0.511,90,133,442.401,2.975,4,0.443,0.74,0.969,0.5537317524501405,0.48708107737646494,0.6353745459529847,0.5483517236652731,0.5561347748612158
EOS-4-04967,Fc1cccc(CCCOc2cncc3nnc(-c4ccc(-c5ccncn5)nc4Cl)n23)n1,ABLIUGGZFJBMKN-UHFFFAOYSA-N,4,1,0.42,58,28,462.876,3.842,5,0.265,0.58,1.0,0.8471660612706463,0.8593653622095813,0.340209718319512,0.4077599204989377,0.6136252655746692
EOS-4-04968,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cc(-c5cncnc5)ncn4)n23)cc1F,XRAPSBWRTQJVEE-UHFFFAOYSA-N,4,1,0.27,94,566,467.403,2.836,6,0.381,0.65,0.711,0.2723939414707697,0.3004848879446234,0.4439037763004592,0.515394763895552,0.38304434240285107
EOS-4-04969,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)n5)n34)ccn2)c1,XEBKWDBVMPAGPE-UHFFFAOYSA-N,4,1,0.479,75,496,432.394,2.938,5,0.377,0.67,1.0,0.804648413405524,0.710360838873278,0.4995973545336166,0.4830117880885477,0.6244045987252416
EOS-4-04970,Fc1cccnc1CCOc1cncc2nnc(-c3ccnc(-c4cc(Cl)ncn4)c3)n12,ZQFDHBUOVFLQNI-UHFFFAOYSA-N,4,1,0.489,75,583,448.849,3.452,5,0.364,0.61,1.0,0.7735419093962032,0.7813720786786376,0.47536152422726335,0.5154033308203687,0.6364197107806182
EOS-4-04971,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cc(F)ccc4F)n23)cc1F,BYNRJPVRXNMNOV-UHFFFAOYSA-N,4,1,0.427,23,678,412.375,3.18,4,0.526,0.89,1.0,0.37898362003975056,0.45179391405661024,0.8233500102803097,0.7647608114591187,0.6047220889589473
EOS-4-04972,CCc1ncnc(-c2cncc3nnc(-c4ncncc4-c4cccc(F)c4)n23)c1F,PKWRAERRLFUQIL-UHFFFAOYSA-N,4,1,0.31,50,978,416.395,3.546,5,0.442,0.74,0.376,0.3558186553354808,0.3689517510794325,0.3783068329792338,0.4830203550133644,0.3965243986018778
EOS-4-04973,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5c(F)ccnc5F)n34)ccc2F)n1,XMOKFYHJFUHIBC-UHFFFAOYSA-N,4,1,0.506,16,772,438.373,2.978,5,0.389,0.68,0.858,0.7878144061407717,0.6956685628126927,0.7483894181344665,0.7254300596257968,0.7393256116784319
EOS-4-04974,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1ccoc1,MVERQPQBMIRRAZ-UHFFFAOYSA-N,4,1,0.646,91,955,430.439,4.821,5,0.369,0.76,1.0,0.9500376944691933,0.7514820779932835,0.8638201631142485,0.7998081008841066,0.8412870091152079
EOS-4-04975,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1Cl,BWNUWSMVGWPVPQ-UHFFFAOYSA-N,4,1,0.636,90,636,394.797,3.472,4,0.481,0.77,1.0,0.9735025015420464,0.9864899595641149,0.9078284558974711,0.9098331163045713,0.944413508327051
EOS-4-04976,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5csnn5)c4)n23)n1,CTSSFTMHVKKEDO-UHFFFAOYSA-N,4,1,0.456,73,526,442.386,3.096,5,0.383,0.64,1.0,0.5433486395723391,0.651951545473237,0.580511959427044,0.6049448290041807,0.5951892433692002
EOS-4-04977,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)c(F)c1,AJHLTDXGKYZYHD-UHFFFAOYSA-N,4,1,0.457,4,817,431.406,3.809,5,0.418,0.68,1.0,0.6987183880474265,0.7687272976492359,0.7435319717634158,0.709435610993078,0.730103317113289
EOS-4-04978,Fc1ccc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)cc1-c1cncs1,ASHMSOSADPKWFU-UHFFFAOYSA-N,4,1,0.518,88,490,470.892,4.863,5,0.352,0.77,1.0,0.9268298951408402,0.9146991296004386,0.8289185114111438,0.8635974230690151,0.8835112398053595
EOS-4-04979,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)n23)ccc1Cl,ACAJMIQHLXYKHW-UHFFFAOYSA-N,4,1,0.47,0,21,462.872,3.595,5,0.461,0.91,0.999,0.25367521074635047,0.30544513741347407,0.2856384072373381,0.5647231169899253,0.35237046809677197
EOS-4-04980,Cc1cnc(Oc2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cc2)cn1,FTDFATCWWVBNIM-UHFFFAOYSA-N,4,1,0.528,35,201,443.442,3.838,5,0.35,0.76,1.0,0.9306935782331575,0.8817250359810842,0.5274826948118704,0.4077684874237544,0.6869174491124665
EOS-4-04981,Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(F)c5F)nn4)n23)nc1,PLXFLQLOAPCRKX-UHFFFAOYSA-N,4,1,0.317,22,586,417.379,4.022,5,0.436,0.73,1.0,0.5049431156192173,0.5746264820779933,0.7047495031183606,0.6869817010485916,0.6178252004660407
EOS-4-04982,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5Cc6ccc(F)cc6C5)c(F)c4)n23)cn1,GOALYMJJFATNLR-UHFFFAOYSA-N,4,1,0.369,62,3,468.467,4.596,6,0.387,0.88,1.0,0.32740216571859365,0.3736378589541498,0.6264992118429169,0.7035929682681105,0.5077830511959427
EOS-4-04983,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)ccc1F,ZLSWSPISEOIYIH-UHFFFAOYSA-N,4,1,0.478,4,702,463.885,4.553,5,0.352,0.67,1.0,0.7048009046672606,0.8219107669111095,0.7174628195462956,0.7336286066753478,0.7444507744500034
EOS-4-04984,Cc1ccc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2)nn1,NIJTXQBFRZMOAD-UHFFFAOYSA-N,4,1,0.414,54,251,418.367,3.417,5,0.437,0.74,1.0,0.607155095606881,0.6416198341443355,0.5137584812555686,0.5353556987183881,0.5744722774312933
EOS-4-04985,Cc1nc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1ccsc1,NKFZRYAOVQGVNJ-UHFFFAOYSA-N,4,1,0.449,59,109,435.459,5.08,5,0.385,0.75,1.0,0.7233654307449798,0.6416284010691522,0.8579946542389144,0.8449215269686793,0.7669775032554313
EOS-4-04986,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(C#N)c4)n23)c(F)c1F,PXAVVRQQKUTZGB-UHFFFAOYSA-N,4,1,0.341,23,129,408.343,3.107,4,0.562,0.76,1.0,0.39037763004591874,0.4694417791789459,0.9427815091494757,0.9238914399287231,0.6816230895757659
EOS-4-04987,OCc1nc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)ccc1Cl,KLDGYUVAXHNLDP-UHFFFAOYSA-N,4,1,0.61,23,231,460.719,3.716,4,0.472,0.82,1.0,0.768024809814269,0.7687358645740525,0.6476766499897197,0.7094441779178946,0.723470375573984
EOS-4-04988,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(C)=O)c(F)c4F)n23)cc1F,PXVYMPDJXRXAOA-UHFFFAOYSA-N,4,1,0.329,0,129,439.397,3.828,4,0.478,0.71,1.0,0.437178740319375,0.4562230141868275,0.8039801932698238,0.6981958056336097,0.5988944383524091
EOS-4-04989,Cc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1-c1cncs1,NOTJDMWBCVLLJF-UHFFFAOYSA-N,4,1,0.449,59,445,454.437,4.615,5,0.361,0.69,0.999,0.6926530052772257,0.6759989034336235,0.8670070591460489,0.8410064423274621,0.7691663525460901
EOS-4-04990,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nc4Cl)n23)ccn1,GYDBLSRJWLDZBC-UHFFFAOYSA-N,4,1,0.517,58,271,448.849,3.452,5,0.364,0.63,1.0,0.9134397916523884,0.9147076965252553,0.5030840929340004,0.5385511616750052,0.7174456856966622
EOS-4-04992,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)cnc1Cl,KQEREVWHVVWZCH-UHFFFAOYSA-N,4,1,0.404,54,411,435.81,2.805,5,0.384,0.62,0.993,0.7262867521074635,0.6228925364950997,0.4327496401891577,0.47103522719484614,0.5632410389966418
EOS-4-04993,FC(F)n1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)n1,XEQWEYIHLBHTSA-UHFFFAOYSA-N,4,1,0.5,72,889,468.855,4.115,5,0.354,0.66,1.0,0.7503769446919334,0.833039202247961,0.6353831128778014,0.640651771640052,0.714862757864437
EOS-4-04994,Cc1ccc(-c2nnc3cncc(OCc4nc(-c5ccnc(F)c5)ccc4F)n23)cn1,SMRYWAUHKREKPW-UHFFFAOYSA-N,4,1,0.457,4,390,431.406,3.809,5,0.391,0.69,1.0,0.6778664930436571,0.7471557809608663,0.6997464190254267,0.6464944143650195,0.6928157768487424
EOS-4-04995,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4F)n23)c1,SYWSGZOJPDZAQC-UHFFFAOYSA-N,4,1,0.511,37,832,454.828,3.525,5,0.391,0.59,1.0,0.8607018024809814,0.8680607908984991,0.762122198615585,0.8019755328627236,0.8232150812144472
EOS-4-04996,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)cn5)cc4F)n23)cc1F,PRBJWQKRXBGMHD-UHFFFAOYSA-N,4,1,0.357,96,274,448.368,2.827,5,0.448,0.68,0.982,0.2237595092865465,0.33479542183537797,0.6755362894935234,0.6636368309231718,0.474432012884655
EOS-4-04997,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCCOC(F)F)n23)cc1F,YZZZNGUNXUYEIQ-UHFFFAOYSA-N,4,1,0.5,68,548,419.367,2.734,4,0.406,0.67,1.0,0.747447056404633,0.7286426564320472,0.6089884175176479,0.5931139058323625,0.6695480090466728
EOS-4-04998,Fc1cc(-c2ccon2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,SCXOBBHCDFEYNN-UHFFFAOYSA-N,4,1,0.56,35,0,436.834,4.255,5,0.393,0.72,1.0,0.8304262901788774,0.8219193338359263,0.7913953807141388,0.8129840312521417,0.814181258995271
EOS-4-04999,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1F,LYSHQTROIODYHJ-UHFFFAOYSA-N,4,1,0.416,0,188,442.281,4.796,5,0.493,0.92,1.0,0.46523541909396204,0.6273816050990336,0.8021383044342403,0.9163782468645055,0.7027833938729354
EOS-4-05000,Cc1ccc(COc2cncc3nnc(-c4cccc(-c5ccc(OC(F)F)nc5)c4)n23)nn1,WMEGTPCNZFTGCB-UHFFFAOYSA-N,4,1,0.517,1,418,461.432,4.132,5,0.357,0.73,1.0,0.5614933863340416,0.585232335001028,0.7621307655404016,0.6606641080117881,0.6423801487218148
EOS-4-05001,N#Cc1ccc(COc2cncc3nnc(-c4cc(F)cc(-c5ncon5)c4)n23)c(F)c1,GXWHRNPNCSWFJJ-UHFFFAOYSA-N,4,1,0.55,16,293,431.362,3.57,5,0.415,0.78,1.0,0.8230416009869097,0.6273901720238503,0.8907974093619354,0.8772873689260503,0.8046291378246864
EOS-4-05002,COc1cc(-c2nnc3cncc(COc4ncccc4F)n23)ccc1-c1ccc(F)nn1,OOPQGQZYPLTUOY-UHFFFAOYSA-N,4,1,0.381,14,189,447.405,3.509,5,0.39,0.72,1.0,0.6156877527242821,0.6519601123980536,0.6476852169145364,0.5286392296621205,0.6109930779247481
EOS-4-05003,Fc1cncc(-c2nccnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)c(F)c4)n23)c1,YSTKJQBICADLGP-UHFFFAOYSA-N,4,1,0.261,39,972,466.415,3.441,6,0.385,0.63,1.0,0.3150486601329587,0.30049345486944007,0.5442824343773559,0.6258309917072168,0.44641388527174286
EOS-4-05004,Fc1cnc(CCOc2cncc3nnc(-c4cnc(Cl)nc4)n23)c(Cl)c1,GBVWVXGBJGWUOK-UHFFFAOYSA-N,4,1,0.482,90,811,406.208,3.044,4,0.471,0.68,1.0,0.7735504763210198,0.8709906791857994,0.5240216571859365,0.6548385991364539,0.7058503529573025
EOS-4-05006,Fc1ccnc(COc2cncc3nnc(-c4ccnc(-c5cc(F)ncn5)c4)n23)c1,WNCRILOYNRCXHU-UHFFFAOYSA-N,4,1,0.547,24,486,418.367,2.896,5,0.402,0.65,1.0,0.5433572064971558,0.5514529504489069,0.6060927969296142,0.5809060379686107,0.5704522479610719
EOS-4-05007,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3cncnc3)n12,CIQMWYUJIISFQT-UHFFFAOYSA-N,4,1,0.573,37,361,414.404,2.799,5,0.418,0.66,1.0,0.8518607360701802,0.8709992461106162,0.5511359742306902,0.5385597285998218,0.7031389212528272
EOS-4-05008,FC(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,YJMXFLMSOQBGLV-UHFFFAOYSA-N,4,1,0.617,90,127,402.792,3.794,4,0.488,0.74,0.998,0.8718473716674663,0.9411537934343088,0.8250633952436434,0.7998166678089234,0.8594703070385854
EOS-4-05009,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)c1F,KJPIRKLYLCHKQV-UHFFFAOYSA-N,4,1,0.446,55,930,448.849,3.718,5,0.4,0.66,1.0,0.8673069015146323,0.8468233842779795,0.5206205880337195,0.4982609142622164,0.6832529470221369
EOS-4-05010,Cc1cc(F)cc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c1F,OQOUSAUPEWJFMW-UHFFFAOYSA-N,4,1,0.456,2,875,431.406,3.809,5,0.418,0.63,1.0,0.6836748680693578,0.6229011034199163,0.8269652525529436,0.7838736207251045,0.7293537111918306
EOS-4-05011,Fc1cnc(-c2cc(COc3cncc4nnc(-c5cnccn5)n34)ccc2F)nn1,ADNDVYBXYUOGRV-UHFFFAOYSA-N,4,1,0.482,46,540,419.355,2.29,5,0.423,0.61,1.0,0.7353591254883147,0.5746350490028099,0.3966143513124529,0.41106675347817145,0.5294188198204373
EOS-4-05012,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ccnc(F)c1,MGGCTUIYPXCEFI-UHFFFAOYSA-N,4,1,0.516,11,103,460.444,4.157,5,0.337,0.65,1.0,0.9042217805496539,0.839875608251662,0.7784336234665205,0.7064885888561442,0.8072549002809951
EOS-4-05013,Fc1cnc(CCOc2cncc3nnc(-c4cncnc4-c4ccncc4)n23)cc1F,UPAJIZPTRVHRJT-UHFFFAOYSA-N,4,1,0.473,87,307,432.394,2.938,5,0.403,0.68,1.0,0.6499811527654034,0.5608851346720581,0.537625933794805,0.5353642656432047,0.5709641217188679
EOS-4-05014,Cc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)c3F)n12,UKHCNZJGXBIIJF-UHFFFAOYSA-N,4,1,0.44,73,540,466.839,3.857,5,0.384,0.56,1.0,0.7139932149955452,0.772899390034953,0.635391679802618,0.634672058118018,0.6892390857377836
EOS-4-05015,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4cccc(Cl)c4)n23)cc1,RDMQYEUBJLIARD-UHFFFAOYSA-N,4,1,0.408,61,999,413.815,4.107,4,0.534,0.92,1.0,0.34443321225412926,0.4915530121307655,0.8970084298540196,0.8924508258515523,0.6563613700226166
EOS-4-05016,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsn5)c(Cl)c4)n23)ccn1,YAQWNENNEBPMBD-UHFFFAOYSA-N,4,1,0.595,11,595,452.902,4.724,5,0.347,0.69,1.0,0.8738434651497499,0.8972654375985196,0.7715715166883695,0.79982523473374,0.8356264135425948
EOS-4-05018,Fc1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1-c1nn[nH]n1,VDISZDMYKGCXMP-UHFFFAOYSA-N,4,1,0.732,43,499,422.811,3.343,5,0.462,0.83,1.0,0.9616887122198615,0.9619285861147283,0.7254386265506134,0.7885511616750052,0.8594017716400522
EOS-4-05019,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)nc3Cl)n12,JBGWEFIXDHBKDH-UHFFFAOYSA-N,4,1,0.5,58,271,448.849,3.452,5,0.364,0.58,1.0,0.8872678363374683,0.894960934822836,0.5101089712836681,0.5584092934000411,0.7126867589610033
EOS-4-05021,Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(F)c5F)nn4)n23)cn1,QJRSCNMJFMDCAO-UHFFFAOYSA-N,4,1,0.341,96,140,417.379,4.022,5,0.436,0.79,1.0,0.5728616955657597,0.7149869782742787,0.7530840929340004,0.717454252621479,0.6895967548488794
EOS-4-05022,Cn1cc(-c2cc(-c3nnc4cncc(OCCc5nc(C(F)(F)F)nn5C)n34)ccc2F)cn1,XTLFJMLZDVHUHH-UHFFFAOYSA-N,4,1,0.5,36,847,487.421,3.1,5,0.339,0.62,1.0,0.5356384072373381,0.6416369679939689,0.5545627441573573,0.4364248509355082,0.5420657425810431
EOS-4-05023,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)cn2)cc1F,PUHRSTKOBUFNFR-UHFFFAOYSA-N,4,1,0.44,55,606,461.888,4.632,5,0.376,0.76,1.0,0.7989599753272565,0.8023953121787403,0.7530926598588171,0.7036015351929271,0.7645123706394352
EOS-4-05024,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cc1,HZBSOEMXWICYSI-UHFFFAOYSA-N,4,1,0.35,3,498,465.427,4.046,6,0.384,0.65,1.0,0.28854259475018845,0.37364642587896646,0.554571311082174,0.6548471660612707,0.4679018744431499
EOS-4-05025,COc1cccc(F)c1COc1cncc2nnc(-c3ccnc(-c4ccc(F)nn4)c3)n12,UAAQAOMLSKTMTF-UHFFFAOYSA-N,4,1,0.473,24,912,447.405,3.509,5,0.39,0.7,1.0,0.8046569803303406,0.6273987389486669,0.6997549859502433,0.6144027140017819,0.6865533548077581
EOS-4-05026,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,AKVZFQVJORCKSS-UHFFFAOYSA-N,4,1,0.542,35,143,452.902,4.724,5,0.347,0.69,1.0,0.8650880679871154,0.8844407511479679,0.6862620793639915,0.7174628195462956,0.7883134295113426
EOS-4-05028,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)cc4Cl)n23)s1,HSAPPLUZNRNDPE-UHFFFAOYSA-N,4,1,0.55,4,71,443.916,5.348,5,0.366,0.64,1.0,0.64998971969022,0.8101997806867247,0.7022393941470769,0.7794102528956206,0.7354597868549106
EOS-4-05029,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1C#N,IDMPWTBCZBUQTC-UHFFFAOYSA-N,4,1,0.769,48,378,434.406,2.922,4,0.5,0.66,1.0,0.8230501679117264,0.3495819340689466,0.846917620450963,0.7647693783839353,0.6960797752038927
EOS-4-05030,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccsn4)cc3F)n12,RYWBDTRBUMDEOH-UHFFFAOYSA-N,4,1,0.56,35,0,436.447,4.21,5,0.397,0.72,1.0,0.7850901240490713,0.8064474676170242,0.7691299431156192,0.7671681173326023,0.7819589130285792
EOS-4-05031,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncco1,HSHZYJKFVQYWEX-UHFFFAOYSA-N,4,1,0.588,11,275,436.834,4.255,5,0.393,0.65,1.0,0.9319100815571243,0.8650109656637653,0.6917963127955589,0.7122284284833116,0.80023644712494
EOS-4-05032,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ccc(C#N)nc1,SZZCYIZUCKVCOJ-UHFFFAOYSA-N,4,1,0.505,35,103,467.464,3.889,5,0.354,0.68,1.0,0.9610633267082448,0.9221352203413062,0.817772942224659,0.7174713864711123,0.8546107189363306
EOS-4-05033,Fc1nc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,ZNLICEWTUSQNDN-UHFFFAOYSA-N,4,1,0.524,58,28,437.822,3.65,5,0.371,0.61,1.0,0.814962990884792,0.7514906449181002,0.506836406003701,0.5353728325680214,0.6521657185936536
EOS-4-05034,COc1ncc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccc2F)cn1,ILZKPOXLGDEIGX-UHFFFAOYSA-N,4,1,0.462,73,94,464.848,3.418,5,0.373,0.67,1.0,0.790564389006922,0.8140720307038586,0.5575440339935577,0.49212699609348226,0.6635768624494551
EOS-4-05035,Fc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(F)c2)c1,NGHFAKPDOVDWQX-UHFFFAOYSA-N,4,1,0.517,37,795,432.394,2.938,5,0.403,0.53,1.0,0.8124785826879584,0.8362860667534782,0.4548351723665273,0.4890172023850319,0.648154256048249
EOS-4-05036,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C(F)(F)F)nn4)n23)cc1F,ABNVXZKIBKRNIQ-UHFFFAOYSA-N,4,1,0.326,66,542,432.341,2.551,4,0.494,0.77,1.0,0.2857754780344048,0.41628401069152215,0.6387670481803852,0.4646271674319786,0.4513634260845727
EOS-4-05037,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4Cl)n23)ccn1,GZKNAKWVCKSTDO-UHFFFAOYSA-N,4,1,0.605,35,352,452.902,4.724,5,0.347,0.67,1.0,0.8738520320745665,0.9257590295387568,0.7852871633198547,0.8041429648413405,0.8472602974436296
EOS-4-05038,Fc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,KFBJZJJXQCQUAW-UHFFFAOYSA-N,4,1,0.523,58,271,448.849,3.452,5,0.364,0.58,1.0,0.9104927695154548,0.912677335343705,0.492649578507299,0.5286477965869372,0.711116869988349
EOS-4-05039,Fc1cccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5nccs5)c4)n23)c1,SQMUAJUTIJHOMA-UHFFFAOYSA-N,4,1,0.573,24,912,438.875,4.681,5,0.371,0.73,1.0,0.8495905009937633,0.7981803851689397,0.6943406894661093,0.7467274347200329,0.7722097525872113
EOS-4-05040,CN=c1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc(-c2ccc(F)cn2)[nH]1,XTOHYNIPMUWYOQ-UHFFFAOYSA-N,4,1,0.478,97,89,446.421,2.964,5,0.416,0.38,0.999,0.509954766636968,0.3005020217942567,0.7022479610718936,0.6081488588856144,0.5302134020971833
EOS-4-05041,Cc1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1nccs1,PTAYKCVEVTYDGX-UHFFFAOYSA-N,4,1,0.386,13,724,456.865,5.342,5,0.363,0.63,0.994,0.6716726064012062,0.7334230004797478,0.7553200603111507,0.7720512644781029,0.7331167329175519
EOS-4-05042,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)c(Cl)c1,NZXFPBHMTBZUJX-UHFFFAOYSA-N,4,1,0.416,66,364,457.872,3.687,4,0.474,0.64,1.0,0.2403622095812487,0.35928825988623125,0.5744637105064766,0.3953036118155027,0.3923544479473648
EOS-4-05043,Fc1ncc(F)c(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)n1,LHQWIVZWQNFXKY-UHFFFAOYSA-N,4,1,0.426,2,875,419.355,2.29,5,0.396,0.61,1.0,0.6044308135151806,0.5418494277294222,0.3892724967445686,0.37649921184291685,0.4780129874580221
EOS-4-05044,Cc1cc(-c2cncc3nnc(-c4nc(Cl)ncc4-c4ccc(F)c(C)n4)n23)cc(C)n1,CCQTWSWQOWMXQN-UHFFFAOYSA-N,4,1,0.259,50,155,446.877,4.423,5,0.378,0.63,1.0,0.2914125145637722,0.33978137207867865,0.454843739291344,0.4393890069220753,0.3813566582139676
EOS-4-05045,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1cccnc1,MIGRJJOEYBBUGA-UHFFFAOYSA-N,4,1,0.522,97,83,453.437,3.847,5,0.381,0.69,1.0,0.830434857103694,0.8362946336782948,0.7784421903913371,0.6636453978479885,0.7772042697553286
EOS-4-05046,Clc1cnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cn2)nc1,STIURZNECILRIL-UHFFFAOYSA-N,4,1,0.5,55,930,451.277,3.924,5,0.371,0.64,1.0,0.7905729559317387,0.8561698992529642,0.5307552600918375,0.5988965800836132,0.6940986738400383
EOS-4-05047,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4Cl)n23)nc1,ZMLCJFDZGLSGFB-UHFFFAOYSA-N,4,1,0.566,4,71,450.289,4.529,5,0.364,0.73,1.0,0.6183777671167158,0.7642039613460352,0.6725121650332396,0.7493060790898499,0.7010999931464602
EOS-4-05048,Fc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ncco5)ccn4)n23)c1,XYNBXSJSFRHVEA-UHFFFAOYSA-N,4,1,0.448,59,692,406.352,3.699,5,0.439,0.67,1.0,0.635288876704818,0.4605921458433281,0.7784507573161538,0.764777945308752,0.6597774312932629
EOS-4-05049,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,BZUFALCHXZXTTD-UHFFFAOYSA-N,4,1,0.529,35,490,452.902,4.724,5,0.347,0.72,1.0,0.8695257350421493,0.9041275443766705,0.6698821191145227,0.717479953395929,0.7902538379823179
EOS-4-05051,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc5c(F)cN(CC(F)C4)C5=O)n23)cc1F,CKCZNDYBNZARDP-UHFFFAOYSA-N,4,1,0.378,78,792,466.423,2.995,5,0.641,0.57,0.099,0.33961003358234526,0.38784182030018505,0.4003066959084367,0.34092077307929547,0.3671698307175656
EOS-4-05052,Fc1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)cc1-c1nc[nH]n1,YFJFONPDZHIMHO-UHFFFAOYSA-N,4,1,0.441,47,164,441.789,2.877,5,0.413,0.61,1.0,0.7989685422520731,0.8140805976286752,0.527491261736687,0.5775049688163937,0.6795113426084572
EOS-4-05053,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)nc1,GKIXGRXLWUGJGP-UHFFFAOYSA-N,4,1,0.529,37,795,432.394,2.938,5,0.403,0.69,1.0,0.847174628195463,0.8531886094167638,0.4365876225070249,0.4680025358097457,0.6512383489822493
EOS-4-05055,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1F,CDSPKJOTRWQJRB-UHFFFAOYSA-N,4,1,0.532,90,133,442.401,2.785,4,0.422,0.82,1.0,0.6530738126242204,0.4067318895209376,0.5477606058529231,0.4830289219381811,0.5226488074840655
EOS-4-05056,Cc1cccc(NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)cc2)c1,RCMAMPSKFAYLBI-UHFFFAOYSA-N,4,1,0.443,62,504,464.916,5.544,5,0.376,0.87,1.0,0.2669196765129189,0.42516791172640667,0.9036563635117538,0.8757795901583167,0.617880885477349
EOS-4-05057,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnnc(Cl)c5)n4)n23)ccc1Cl,JCTWPXHGLFQDNZ-UHFFFAOYSA-N,4,1,0.484,34,712,493.289,4.54,5,0.351,0.61,1.0,0.812487149612775,0.939705983140292,0.8851860736070181,0.909841683229388,0.8868052223973681
EOS-4-05058,Cc1nccc(-c2cc(-c3cncc4nnc(-c5ncncc5-c5cccc(F)c5)n34)ncn2)n1,DILAPSRUVQQAIJ-UHFFFAOYSA-N,4,1,0.293,94,566,462.452,3.61,6,0.387,0.63,0.993,0.2617709546981016,0.2746641765471866,0.35174936604756357,0.38582002604345145,0.31850113083407583
EOS-4-05059,CC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(Cl)n1,KFVXVCBZQGEZBS-UHFFFAOYSA-N,4,1,0.33,0,188,472.858,4.65,5,0.427,0.82,0.999,0.33961860050716197,0.4870896443012816,0.837374066205195,0.835129531903228,0.6248029607292166
EOS-4-05060,O=C(NOC1CCOCC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cc1,WILTYHFNFDGNJK-UHFFFAOYSA-N,4,1,0.312,0,688,484.438,3.77,5,0.328,0.7,0.807,0.3396271674319786,0.3209684051812761,0.5442910013021726,0.555085326571174,0.43999297512165036
EOS-4-05061,Fc1ccnc(COc2cncc3nnc(-c4cc(F)c(F)c(-c5nncs5)c4)n23)c1,JSEDRCOWHSHMOG-UHFFFAOYSA-N,4,1,0.571,4,712,441.398,3.701,5,0.411,0.63,1.0,0.6183863340415324,0.7195274484271126,0.7715800836131862,0.7838821876499212,0.7233440134329381
EOS-4-05062,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)n1,IRTPWNAJSLHJCM-UHFFFAOYSA-N,4,1,0.511,11,0,437.822,3.65,5,0.371,0.61,1.0,0.8124957165375917,0.790050373517922,0.5442995682269892,0.5712168460009595,0.6795156260708655
EOS-4-05063,Clc1cnc(-c2ccc(COc3cncc4nnc(-c5ccccc5)n34)cn2)nc1,XUMYGVHEPOUVGA-UHFFFAOYSA-N,4,1,0.595,97,770,415.844,3.876,5,0.43,0.75,1.0,0.8607103694057981,0.7642125282708518,0.46163731067096153,0.49524535672674935,0.6454513912685902
EOS-4-05064,Fc1cc(Cl)cc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)c1,ISVQMLDOMHIIFA-UHFFFAOYSA-N,4,1,0.469,54,16,434.822,3.41,5,0.414,0.73,1.0,0.732463504900281,0.7008601192515934,0.5837588239325612,0.6520886162703036,0.6672927660886848
EOS-4-05065,N#Cc1cc(-c2nnc3cncc(CNc4ccc(-c5csnn5)c(F)c4)n23)ccc1Cl,YQOKDTXAEDBZIP-UHFFFAOYSA-N,4,1,0.356,14,471,462.901,4.586,5,0.407,0.72,1.0,0.1491415941333699,0.35425947501884725,0.8405352614625454,0.8587314097731479,0.5506669350969776
EOS-4-05066,COc1cc(-c2cnc(F)cn2)ccc1-c1nnc2cncc(Br)n12,MQRDFMFZPKVGSP-UHFFFAOYSA-N,4,1,0.631,68,861,401.199,3.159,4,0.525,0.73,1.0,0.4487954903707765,0.392382290453019,0.614942430265232,0.5483602905900897,0.5011201254197792
EOS-4-05067,N#Cc1cc(-c2cnco2)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,IUCJNORYIKDISK-UHFFFAOYSA-N,4,1,0.541,97,744,431.362,3.57,5,0.388,0.71,1.0,0.6625402645466384,0.5948101569460627,0.8709649784113495,0.8410150092522788,0.7423326022890824
EOS-4-05068,Fc1ncc(F)c(-c2cnsc2COc2cncc3nnc(-c4ccc(Cl)nc4)n23)n1,RRBNKNIVWJSYNE-UHFFFAOYSA-N,4,1,0.444,55,434,458.841,3.61,5,0.29,0.62,1.0,0.7353676924131314,0.7857412103351381,0.44391234322527584,0.5286563635117538,0.6234194023713248
EOS-4-05069,Fc1cc(CCOc2cncc3nnc(-c4cnc(-c5cccc(F)n5)cn4)n23)ccn1,QVCCVCQDFUXVSM-UHFFFAOYSA-N,4,1,0.451,18,578,432.394,2.938,5,0.377,0.61,1.0,0.7905815228565554,0.6760074703584401,0.482514906449181,0.48303748886299774,0.6080353471317935
EOS-4-05070,OCc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)ccc1F,QODKJPOGYUYVQI-UHFFFAOYSA-N,4,1,0.457,73,930,464.848,2.902,5,0.403,0.71,1.0,0.662548831471455,0.7729079569597698,0.4217582756493729,0.43010246042080735,0.5718293811253513
EOS-4-05071,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)c1,LOCWYIKJJQREQD-UHFFFAOYSA-N,4,1,0.531,24,109,422.42,4.167,5,0.423,0.72,1.0,0.785098690973888,0.8140891645534919,0.7507967240079501,0.7493146460146666,0.7748248063874992
EOS-4-05072,FC(F)(F)Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nn1,GWKFBIPZEKDTDU-UHFFFAOYSA-N,4,1,0.483,27,52,470.44,3.784,5,0.369,0.71,0.998,0.5588547734905078,0.6519686793228703,0.6943492563909259,0.5744123089575766,0.6198962545404701
EOS-4-05073,Fc1ccc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)nc1-c1ccncn1,YVSMFXLIIVZPIS-UHFFFAOYSA-N,4,1,0.385,46,726,435.81,2.805,5,0.41,0.63,0.994,0.6129720375573984,0.6088856144198479,0.32942395997532725,0.3797032417243506,0.4827462134192311
EOS-4-05074,Cc1c(F)cccc1COc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,GUEHUMPLFISJJL-UHFFFAOYSA-N,4,1,0.5,75,420,413.416,3.67,5,0.434,0.64,1.0,0.8541052703721472,0.6664382153382222,0.586860050716195,0.5217771228839696,0.6572951648276335
EOS-4-05075,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4c(F)ccc(F)c4F)n23)c1,MRMUWHTXOMZTDO-UHFFFAOYSA-N,4,1,0.482,2,884,437.385,3.583,5,0.391,0.67,1.0,0.6778750599684737,0.6040881365225139,0.8564269069974642,0.8249091905969433,0.7408248235213488
EOS-4-05076,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1Cl,IMEITFBLUBULFS-UHFFFAOYSA-N,4,1,0.549,90,636,412.24,3.381,4,0.463,0.75,1.0,0.9419933520663423,0.9765351929271469,0.7174713864711123,0.7815177164005209,0.8543794119662806
EOS-4-05077,Fc1ccc(CNCc2cncc3nnc(-c4ccc(-c5nccs5)cc4F)n23)nc1,IDOKKTBWTIBJPF-UHFFFAOYSA-N,4,1,0.327,14,291,435.463,3.878,5,0.436,0.74,1.0,0.3046569803303406,0.3209769721060928,0.5837673908573778,0.6018521691453635,0.4528133781097937
EOS-4-05078,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cc1)N1CCCC1,RYWPPNWABVWEFY-UHFFFAOYSA-N,4,1,0.442,0,21,438.318,5.001,5,0.452,0.9,1.0,0.21278527859639504,0.3348039887601946,0.09025255294359537,0.47989342745528063,0.2794338119388664
EOS-4-05079,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccccc5F)nn4)n23)cc1F,UERITHBFPHDSOW-UHFFFAOYSA-N,4,1,0.346,96,586,445.389,3.418,5,0.44,0.81,1.0,0.5332054005894045,0.5327085189500377,0.6725207319580563,0.6433931875813858,0.595456959769721
EOS-4-05080,Cc1nc(-c2nnc3cncc(COc4cccc(F)c4F)n23)ccc1-c1ccsc1,LRGLHZFZWYSPGB-UHFFFAOYSA-N,4,1,0.381,14,189,435.459,5.08,5,0.385,0.73,1.0,0.5283393872935371,0.5010194640531834,0.8357977520389281,0.8129925981769583,0.6695373003906517
EOS-4-05081,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)c1,GEGPPBPSTUJRDL-UHFFFAOYSA-N,4,1,0.56,75,583,413.416,3.404,5,0.421,0.7,1.0,0.8583458981563977,0.7286512233568638,0.5174679597011856,0.5017990542115003,0.6515660338564868
EOS-4-05082,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)ncc1Cl,GKYMWAXBWYJNRP-UHFFFAOYSA-N,4,1,0.57,97,744,438.875,4.681,5,0.396,0.67,1.0,0.7764717976835035,0.8256887807552601,0.8177815091494757,0.82491775752176,0.8112149612774998
EOS-4-05083,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,BDPNRIPJDSCXDQ-UHFFFAOYSA-N,4,1,0.489,58,28,448.849,3.452,5,0.287,0.66,1.0,0.8425656226440956,0.8792406277842506,0.34803988760194643,0.3858285929682681,0.6139186827496401
EOS-4-05085,Fc1ccc(OCc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)c(F)c1,WTLJHORLZPZKBK-UHFFFAOYSA-N,4,1,0.351,54,920,418.367,2.896,5,0.429,0.74,1.0,0.5433657734219725,0.5281680487972038,0.5545798780069906,0.5775135357412103,0.5509068089918443
EOS-4-05086,O=c1[nH]c(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,MNPCZJVMPIVPFQ-UHFFFAOYSA-N,4,1,0.522,35,161,429.415,2.697,5,0.442,0.55,1.0,0.4417363443218422,0.2237852100609965,0.47537009115208007,0.4768864368446303,0.4044445205948872
EOS-4-05087,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NOC5CC5)c(F)c4)n23)c(F)c1F,ZHYJHEPFIKBMLZ-UHFFFAOYSA-N,4,1,0.321,0,129,482.422,3.059,5,0.409,0.76,0.994,0.5099633335617847,0.49654752929888285,0.6563378109793708,0.6377304502775684,0.5751447810294017
EOS-4-05088,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncncc5F)n34)c(Cl)n2)nc1,DVSJOXFWQPTALH-UHFFFAOYSA-N,4,1,0.446,73,263,467.827,2.986,5,0.347,0.57,1.0,0.8402868206428621,0.865019532588582,0.31090226852169145,0.39840483859913645,0.603653365088068
EOS-4-05089,COc1ccc(-c2nnc3cncc(OCc4ccncc4F)n23)cc1-c1ccsc1,NJWOMBLSZKJWPC-UHFFFAOYSA-N,4,1,0.523,97,103,433.468,4.642,5,0.388,0.75,1.0,0.9149047357960387,0.7939654581591392,0.8324138167363443,0.7439688849290659,0.8213132239051469
EOS-4-05090,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccc(Cl)n5)cc4F)n23)cc1F,MHYRXUDJYODRNW-UHFFFAOYSA-N,4,1,0.319,96,648,493.861,4.332,5,0.363,0.79,1.0,0.6071636625316976,0.5993249263244466,0.7892193818107053,0.7388886985127818,0.6836491672949079
EOS-4-05091,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)cc2F)cn1,ZLPUTIVIKPTXPO-UHFFFAOYSA-N,4,1,0.552,37,919,451.412,3.626,5,0.367,0.66,1.0,0.75038551161675,0.7642210951956686,0.869585703515866,0.8289784798848605,0.8032926975532863
EOS-4-05092,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cnn2)nc1,QBPJYJNQPPLZIY-UHFFFAOYSA-N,4,1,0.456,55,283,434.822,3.41,5,0.387,0.61,0.999,0.8471831951202796,0.9016602700294702,0.6089969844424645,0.6492700980056199,0.7517776368994586
EOS-4-05093,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2F)nc1,ATGIHRYBJMHUQQ-UHFFFAOYSA-N,4,1,0.511,37,132,466.839,3.591,5,0.374,0.69,1.0,0.9372301418682749,0.9382581728462751,0.5477691727777397,0.6144112809265986,0.759417192104722
EOS-4-05095,Fc1cnc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nc1,QWDABMBZHNKACB-UHFFFAOYSA-N,4,1,0.59,11,166,447.861,4.057,5,0.387,0.71,1.0,0.9658779384552121,0.9830546227126311,0.5101175382084847,0.5931224727571791,0.7630431430333768
EOS-4-05096,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4Cl)n23)ccn1,BSALDZQXBGZPNX-UHFFFAOYSA-N,4,1,0.595,72,386,437.822,3.65,5,0.371,0.72,1.0,0.8854088136522514,0.8531971763415804,0.6563463779041875,0.6692738674525393,0.7660565588376397
EOS-4-05097,Fc1nccc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)n1,VJNVUFRSVXFSBK-UHFFFAOYSA-N,4,1,0.527,65,981,414.404,2.799,5,0.391,0.65,1.0,0.8607189363306148,0.8434137482009458,0.3704423959975327,0.3247464190254266,0.59983037488863
EOS-4-05098,Fc1ncncc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3Cl)n12,SSVVZKJIGSEFDK-UHFFFAOYSA-N,4,1,0.494,65,143,438.81,3.045,5,0.291,0.64,1.0,0.8073726954972243,0.7380919745048318,0.3818449729285176,0.4143136179836886,0.5854058152285655
EOS-4-05099,COc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,PLIZQNKUMSIJFA-UHFFFAOYSA-N,4,1,0.544,35,982,458.909,4.532,5,0.354,0.75,1.0,0.7590124049071345,0.6809163182783908,0.6918048797203755,0.6406603385648687,0.6930984853676924
EOS-4-05100,N#Cc1ncc(COc2cncc3nnc(-c4ccnc(-c5cnco5)c4)n23)cc1F,WLEMMJMIMQZVLN-UHFFFAOYSA-N,4,1,0.506,75,939,414.36,2.826,5,0.426,0.66,1.0,0.8175502021794256,0.6371393324652183,0.6179579878006991,0.5286649304365705,0.6503281132204783
EOS-4-05101,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)cc4)n23)nc1F,WGQQVRQPXVUERM-UHFFFAOYSA-N,4,1,0.571,11,922,420.379,3.741,5,0.387,0.71,1.0,0.9431241861421424,0.8468319512027962,0.7334230004797478,0.6928243437735591,0.8040508703995615
EOS-4-05102,Cn1cc(C(F)(F)F)nc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cn1,FNLYHMVUGXDSDZ-UHFFFAOYSA-N,4,1,0.441,27,52,487.833,3.628,5,0.37,0.7,1.0,0.57548317455966,0.6956771297375094,0.7553286272359674,0.6229867726680831,0.662368926050305
EOS-4-05103,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4F)n23)c1,IMEBOFRIEINDHS-UHFFFAOYSA-N,4,1,0.505,58,324,432.394,2.938,5,0.377,0.56,1.0,0.807381262422041,0.8434223151257625,0.4510914262216435,0.4553234870810774,0.6393046227126311
EOS-4-05104,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)c1,NNISQMVRRVFWAR-UHFFFAOYSA-N,4,1,0.465,51,196,434.822,3.41,5,0.414,0.69,1.0,0.6958399013090261,0.7195360153519292,0.5206291549585361,0.5744208758823932,0.6276064868754712
EOS-4-05105,N#Cc1cc(-c2nnc3cncc(OCCc4cnc(Cl)cn4)n23)ccc1Cl,AYIHVXYWEQPKAB-UHFFFAOYSA-N,4,1,0.562,90,636,412.24,3.381,4,0.495,0.71,0.999,0.9409224864642588,0.9696816530738126,0.7228599821807964,0.7998338016585567,0.8583244808443562
EOS-4-05106,Brc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,BVJMDIODVVSHSZ-UHFFFAOYSA-N,4,1,0.549,58,28,474.322,4.027,5,0.343,0.74,1.0,0.8073898293468577,0.7642296621204853,0.3480484545267631,0.35059283119731344,0.5675651942978548
EOS-4-05107,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nn4)n23)c1F,HXOKVEMXAPGOAH-UHFFFAOYSA-N,4,1,0.44,54,411,467.827,2.986,5,0.347,0.55,0.816,0.8021297375094236,0.7559454458227675,0.3704509629223494,0.45227366184634366,0.595199952025221
EOS-4-05108,N#Cc1ccc(-c2nnc3cncc(OCc4cc(F)c(-c5cnccn5)cn4)n23)nc1,GCDOONANEWUTTE-UHFFFAOYSA-N,4,1,0.424,7,540,425.387,2.628,5,0.417,0.65,1.0,0.6156963196490988,0.6416455349187855,0.5710283736549928,0.5385682955246385,0.591734630936879
EOS-4-05109,Cc1cc(Oc2cncc3nnc(-c4ccc(F)c(-c5ccnn5C(C)C)c4)n23)ccc1F,JULFLQCOEIIMKK-UHFFFAOYSA-N,4,1,0.505,13,374,446.461,5.615,5,0.351,0.68,0.999,0.5958895894729628,0.5900726475224454,0.8723528202316496,0.7954903707765061,0.7134513570008909
EOS-4-05110,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCc3ccc(COC(F)F)nc3)n12,FNGASZKBBNAIDM-UHFFFAOYSA-N,4,1,0.511,24,28,485.451,4.162,5,0.302,0.55,0.998,0.7622678363374683,0.7642382290453019,0.7892279487355219,0.7009800561990268,0.7541785175793297
EOS-4-05111,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nnc5cnccn45)cc3Cl)n12,WGHGPCSPKAJUDC-UHFFFAOYSA-N,4,1,0.558,35,161,487.886,3.705,6,0.35,0.7,1.0,0.8926307312727023,0.8896580083613186,0.5710369405798095,0.6548557329860873,0.7520453532999795
EOS-4-05112,CCNCCc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c(F)c1,LZLLRRRWMAFDRI-UHFFFAOYSA-N,4,1,0.483,90,555,426.883,3.71,4,0.342,0.78,1.0,0.482540607223631,0.48709821122609825,0.6888921252827085,0.654864299910904,0.5783488109108355
EOS-4-05113,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c(F)cn1,DHJPDDVPZJXCKW-UHFFFAOYSA-N,4,1,0.588,35,352,436.447,4.21,5,0.371,0.66,1.0,0.9088993214995545,0.8949695017476527,0.7807895277911041,0.7543691316565005,0.834756870673703
EOS-4-05114,O=C(c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)cn4)n23)cc1)N1CCOCC1,LVVIJPDSKSGBTR-UHFFFAOYSA-N,4,1,0.529,66,751,469.427,2.663,5,0.453,0.86,1.0,0.15990165170310466,0.13092831197313412,0.1634569255020218,0.21147453909944486,0.16644035706942636
EOS-4-05115,Fc1nc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,HOIYSKUKAPHCLX-UHFFFAOYSA-N,4,1,0.518,58,28,437.822,3.65,5,0.371,0.62,1.0,0.84959906791858,0.7729165238845864,0.4753786580768967,0.5084127201699677,0.6515767425125076
EOS-4-05116,Fc1cccc(-c2cnc(-c3nnc4cncc(-c5nccc(-c6cnc(Cl)nc6)n5)n34)cn2)n1,QIWAPBBVIRMNOD-UHFFFAOYSA-N,4,1,0.244,86,72,483.858,3.35,6,0.271,0.6,0.688,0.27240250839558633,0.34959050099376326,0.26314166266876843,0.33454698101569463,0.30492041326845315
EOS-4-05117,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC)c(Cl)c4)n23)c(F)c1F,RVWSTICBYQFPQT-UHFFFAOYSA-N,4,1,0.329,0,129,470.867,3.499,4,0.465,0.8,1.0,0.43718730724419164,0.49655609622369956,0.6889006922075251,0.6203995613734494,0.5607609142622164
EOS-4-05118,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cccnn1,YTBGNBJAJSEWLQ-UHFFFAOYSA-N,4,1,0.527,72,669,454.881,3.79,5,0.356,0.63,1.0,0.960360838873278,0.9594099102186279,0.712451168528545,0.7122369954081283,0.8361147282571448
EOS-4-05119,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1C(F)(F)F,WETXBLSEHXMOOH-UHFFFAOYSA-N,4,1,0.321,66,188,456.403,4.212,5,0.465,0.88,1.0,0.2830768967171544,0.402157151668837,0.8124186142142417,0.7671766842574189,0.5662073367144129
EOS-4-05120,Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)ccc1Cl,VJWROIFYRJQOKE-UHFFFAOYSA-N,4,1,0.39,0,901,421.863,4.214,5,0.497,0.93,1.0,0.365070934137482,0.43866081831265846,0.5030926598588171,0.6721780549653896,0.4947506168185868
EOS-4-05121,Fc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)ccc1-c1cn2ccccc2n1,PDXCUHAFYKTBFS-UHFFFAOYSA-N,4,1,0.484,34,820,490.861,4.407,6,0.353,0.59,1.0,0.8607275032554315,0.8256973476800767,0.755337194160784,0.8083321910766911,0.8125235590432458
EOS-4-05122,Fc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1cscn1,FBUAHWLICIHZQA-UHFFFAOYSA-N,4,1,0.56,4,31,438.875,4.681,5,0.371,0.74,1.0,0.7503940785415667,0.8330477691727778,0.7668854088136523,0.7998423685833733,0.7875424062778427
EOS-4-05123,O=c1c(F)cnnn1Cc1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1,ZIWVMKLNUOWPCC-UHFFFAOYSA-N,4,1,0.344,61,121,450.384,2.93,5,0.406,0.69,1.0,0.28040401617435406,0.4207388115961894,0.6061013638544308,0.6406689054896855,0.48697827427866497
EOS-4-05124,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5ccc(Oc6nccnn6)cn5)n34)nc2)nc1,WRBJYVATAYAJPM-UHFFFAOYSA-N,4,1,0.288,70,687,464.424,3.427,6,0.374,0.65,1.0,0.4211157562881228,0.4562315811116442,0.3665872798300322,0.3440648344870125,0.3969998629292029
EOS-4-05125,Fc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ncc1-n1nccn1,QYBFECJIPSYHCV-UHFFFAOYSA-N,4,1,0.418,46,910,424.346,2.763,5,0.428,0.67,1.0,0.39468679322870265,0.32550887533411005,0.7022565279967103,0.7227229113837297,0.5362937769858132
EOS-4-05126,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cc3Cl)n12,IKCZXBKNUTVBRC-UHFFFAOYSA-N,4,1,0.576,72,386,437.822,3.65,5,0.371,0.66,1.0,0.8559728599821808,0.8499588787608799,0.6118840381056816,0.6346806250428346,0.7381241004728942
EOS-4-05127,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(Cl)nn4)c3)n12,UWWBYLLJVLTABV-UHFFFAOYSA-N,4,1,0.518,58,583,448.849,3.452,5,0.364,0.68,1.0,0.8854173805770681,0.8499674456856967,0.49607634843396614,0.5286734973613871,0.6900336680145295
EOS-4-05128,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5css5)cc4)n23)n1,TWMRYOBMJJDDSD-UHFFFAOYSA-N,4,1,0.488,36,19,428.449,4.229,5,0.308,0.71,1.0,0.8379566170927284,0.747164347885683,0.5307638270166541,0.5286820642862038,0.6611417140703173
EOS-4-05129,COc1cc(-c2nnc3cncc(OC4CCOCC4)n23)ccc1-c1ccncc1F,YWJFOFANBAKTKA-UHFFFAOYSA-N,4,1,0.435,5,548,421.432,3.559,5,0.487,0.76,1.0,0.6591991638681379,0.4251764786512234,0.38928106366938525,0.4585532177369611,0.48305248098142695
EOS-4-05130,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4Cl)n23)nc1,WZZUGQCHQKLQJV-UHFFFAOYSA-N,4,1,0.477,58,28,448.849,3.452,5,0.364,0.62,1.0,0.8149715578096086,0.846840518127613,0.2821259680625043,0.36018778699198134,0.5760314577479269
EOS-4-05131,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCCc3cnccc3Cl)n12,BZAVENVSDGJKRR-UHFFFAOYSA-N,4,1,0.571,37,832,437.822,3.65,5,0.396,0.67,1.0,0.894626824754986,0.8398841751764786,0.6591220615447879,0.6955143581659927,0.7722868549105613
EOS-4-05132,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(CN5CCC5)c4)n23)nc1,DCRBYGASVNLHRM-UHFFFAOYSA-N,4,1,0.544,90,636,455.349,4.32,5,0.414,0.77,1.0,0.502501542046467,0.569863271879926,0.15698033034062092,0.4739736824069632,0.4258297066684943
EOS-4-05133,Fc1cnnc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccc2F)c1,YBGGDOUEPJWUJL-UHFFFAOYSA-N,4,1,0.5,37,795,432.394,2.938,5,0.403,0.69,1.0,0.887276403262285,0.8398927421012953,0.46879069289287917,0.5018076211363169,0.6744418648481941
EOS-4-05134,N#Cc1cc(-c2nnc3cncc(OCc4cnc(-c5cnccn5)cn4)n23)ccc1Cl,LGXDHBMPNDDAJY-UHFFFAOYSA-N,4,1,0.512,7,540,441.842,3.142,5,0.404,0.65,1.0,0.7140017819203619,0.914716263450072,0.5900126790487287,0.5960609279692961,0.7036979130971146
EOS-4-05135,COc1cc(-c2nnc3cncc(OC(C)c4ccccc4F)n23)ccc1-c1cccnn1,NKDIFKRABWGGPE-UHFFFAOYSA-N,4,1,0.484,72,925,442.454,4.536,5,0.382,0.63,1.0,0.867315468439449,0.8179185799465424,0.8723613871564663,0.7671852511822356,0.8311951716811733
EOS-4-05136,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cc3Cl)n12,PMARYOZCUFXVGN-UHFFFAOYSA-N,4,1,0.571,37,832,437.822,3.65,5,0.396,0.69,1.0,0.851869302994997,0.817927146871359,0.6643136179836886,0.6869902679734082,0.7552750839558632
EOS-4-05137,OCc1ncc(Cl)c(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1F,DCWASFPQXOVLNB-UHFFFAOYSA-N,4,1,0.494,97,666,468.901,4.174,5,0.399,0.66,1.0,0.7962613940100062,0.7057346994722774,0.7306387499143308,0.7336371736001644,0.7415680042491947
EOS-4-05138,Fc1nc(CCOc2cncc3nnc(-c4cnc(Cl)nc4)n23)ccc1Cl,RZXDZDLSHDZUDB-UHFFFAOYSA-N,4,1,0.506,90,811,406.208,3.044,4,0.372,0.72,1.0,0.8149801247344254,0.8949780686724693,0.567772942224659,0.6548728668357207,0.7331510006168186
EOS-4-05140,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(COCC5CC5)cc4F)n23)cc1F,GNSZQGXAKDOMLH-UHFFFAOYSA-N,4,1,0.404,0,999,435.434,3.762,5,0.477,0.82,1.0,0.3697313412377493,0.2492546775409499,0.644883832499486,0.7517819203618669,0.503912942910013
EOS-4-05141,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,GSDIMLJPOAVZRQ-UHFFFAOYSA-N,4,1,0.554,72,889,413.416,3.404,5,0.394,0.77,1.0,0.9664690562675622,0.9293057364128572,0.5744722774312933,0.5483688575149065,0.7546539819066548
EOS-4-05142,COc1ccc(COc2cncc3nnc(-c4ccc(-c5cocn5)c(OC)c4)n23)c(F)c1,RGXLOZIRMQHDAC-UHFFFAOYSA-N,4,1,0.5,1,383,447.426,4.182,5,0.367,0.73,1.0,0.9149133027208554,0.6712185593859228,0.8289270783359606,0.6465029812898362,0.7653904804331437
EOS-4-05143,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cncc(Br)c3)n12,ZJTRTNJKXODILA-UHFFFAOYSA-N,4,1,0.506,58,28,492.312,4.166,5,0.329,0.63,1.0,0.8872849701871016,0.862286683572065,0.5274998286615037,0.5321945034610376,0.7023164964704269
EOS-4-05144,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ncc5F)n34)cc2F)n1,DSCMHRQPSAORIE-UHFFFAOYSA-N,4,1,0.462,73,526,467.827,3.252,5,0.359,0.62,1.0,0.8496076348433966,0.8434308820505791,0.4439209101500925,0.47398224933177985,0.652735419093962
EOS-4-05145,N#Cc1ncc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)ccn4)n23)cn1,KGVBZMNXNZTMKB-UHFFFAOYSA-N,4,1,0.402,51,949,426.375,2.023,5,0.41,0.64,1.0,0.735376259337948,0.5746436159276266,0.2670053457610856,0.23452813378109794,0.45288833870193956
EOS-4-05146,Fc1cc(COc2cncc3nnc(-c4cc(-c5cccnn5)ncn4)n23)cnc1F,OKVUSCVACQBPSJ-UHFFFAOYSA-N,4,1,0.375,46,395,419.355,2.29,5,0.396,0.54,0.214,0.653082379549037,0.4386693852374752,0.4720803920224796,0.4459512713316428,0.5024458570351586
EOS-4-05147,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)ccn1,MNMJHBXNIUAPNX-UHFFFAOYSA-N,4,1,0.61,35,352,417.469,4.675,5,0.376,0.74,1.0,0.9189911589335892,0.9126859022685216,0.7830854636419711,0.7671938181070523,0.8454890857377835
EOS-4-05148,N#Cc1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1-c1cscn1,NZTWVLPQOWTASF-UHFFFAOYSA-N,4,1,0.462,4,526,448.418,3.434,5,0.376,0.67,1.0,0.7735590432458365,0.7813806456034542,0.6619834144335549,0.6318449729285176,0.7121920190528408
EOS-4-05149,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ncccn4)ccn3)n12,JZQJLIBMFJIERD-UHFFFAOYSA-N,4,1,0.506,18,949,414.404,2.799,5,0.418,0.73,1.0,0.7444143650195326,0.5993334932492632,0.36659584675484885,0.3473459666917963,0.5144224179288602
EOS-4-05150,CCn1nc(C(F)(F)F)nc1CCOc1cncc2nnc(-c3ccc(Cl)nc3)n12,CWLTYGDCTLQFGT-UHFFFAOYSA-N,4,1,0.522,68,127,438.801,3.091,4,0.427,0.65,1.0,0.45807346994722775,0.6138458638886986,0.26701391268590224,0.2700723048454527,0.40225138784182035
EOS-4-05151,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4Cl)n23)nnc1Cl,RFZXSUKKKUBFFX-UHFFFAOYSA-N,4,1,0.495,72,832,483.294,4.106,5,0.356,0.7,1.0,0.8518778699198136,0.9257675964635734,0.6149509971900486,0.7279144678226304,0.7801277328490166
EOS-4-05152,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccno5)c(Cl)c4)n23)c(Cl)c1,ZYUMUMUQIQFKQL-UHFFFAOYSA-N,4,1,0.529,88,141,471.279,4.909,5,0.348,0.67,1.0,0.892639298197519,0.839901309026112,0.8214909875950929,0.877295935850867,0.8578318826673978
EOS-4-05153,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnncc5F)n34)cc2F)nc1,CFJRUPUXIZAIAU-UHFFFAOYSA-N,4,1,0.565,37,325,446.421,3.246,5,0.392,0.64,1.0,0.9307021451579741,0.927660886848057,0.5443081351518059,0.5154118977451854,0.7295207662257557
EOS-4-05154,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)n1,OHNTZEQTZVTMND-UHFFFAOYSA-N,4,1,0.598,43,96,419.395,3.742,5,0.466,0.69,1.0,0.8607360701802481,0.8064560345418409,0.7508052909327668,0.7439774518538825,0.7904937118771845
EOS-4-05155,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1nccs1,LITGRZVDTWTYRK-UHFFFAOYSA-N,4,1,0.583,11,595,436.447,4.21,5,0.371,0.8,1.0,0.920387567678706,0.9085994791309712,0.6862706462888082,0.67515934480159,0.7976042594750188
EOS-4-05157,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,WPZTVLZJJBZKIL-UHFFFAOYSA-N,4,1,0.605,35,352,452.902,4.724,5,0.347,0.68,1.0,0.9009749160441368,0.9368360633267082,0.7830940305667877,0.8019840997875403,0.8557222774312931
EOS-4-05160,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)cc1F,WAPMBPVXQHHIGE-UHFFFAOYSA-N,4,1,0.392,66,364,441.417,3.173,4,0.494,0.7,1.0,0.28855116167500516,0.37365499280378317,0.5744808443561099,0.3537111918305805,0.3975995476663696
EOS-4-05161,Cc1nc(-c2cncc3nnc(-c4ccc(-c5ccnc(Cl)c5)nc4)n23)ncc1F,SBUIOLCMUBKADU-UHFFFAOYSA-N,4,1,0.326,50,261,418.823,3.806,5,0.411,0.73,1.0,0.31505722705777534,0.41629257761633887,0.49265814543211567,0.5680556507436091,0.44801590021245974
EOS-4-05162,N#Cc1cc(F)cc(NCc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c1,WUOKUZYYOKVMJG-UHFFFAOYSA-N,4,1,0.343,14,28,446.446,4.072,5,0.406,0.64,1.0,0.13802172572133506,0.23903433623466522,0.6619919813583716,0.6576057158522377,0.4241634397916524
EOS-4-05163,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1,QFPDOKMVKBMATQ-UHFFFAOYSA-N,4,1,0.726,91,883,417.469,4.675,5,0.402,0.76,1.0,0.9491981358371598,0.9368446302515249,0.7760006168185868,0.7720598314029196,0.8585258035775477
EOS-4-05164,Cn1ccnc1-c1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1F,ISQMRCQBMFDIME-UHFFFAOYSA-N,4,1,0.4,13,971,423.358,3.796,5,0.437,0.78,1.0,0.5673188952093756,0.5558906175039408,0.702265094921527,0.727923034747447,0.6383494105955726
EOS-4-05165,Cc1cncc(-c2nc(-c3nnc4cncc(-c5ncc(-c6cnc(F)cn6)cn5)n34)ccc2F)c1,VSBMSMUUQIHVOR-UHFFFAOYSA-N,4,1,0.264,86,459,480.442,3.749,6,0.371,0.73,0.999,0.2942310328284559,0.3542680419436639,0.42176684257418956,0.43939757384689193,0.37741587279830036
EOS-4-05166,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc(-c2csnn2)c1F,WLIJTPSVAFCDSW-UHFFFAOYSA-N,4,1,0.5,16,772,457.853,4.215,5,0.39,0.66,1.0,0.6211962853813995,0.6616578712905216,0.8453413062846961,0.8716417654718662,0.7499593071071209
EOS-4-05167,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4Cl)n23)c1,IMZNWJGXWIGTMC-UHFFFAOYSA-N,4,1,0.571,37,832,437.822,3.65,5,0.396,0.69,1.0,0.8797889109725173,0.8257059146048934,0.6387756151052019,0.6721866218902063,0.7541142656432047
EOS-4-05168,Cc1nc(-c2nnc3cncc(-c4ncc(Cl)cn4)n23)c(-c2ccc(F)c(F)c2)s1,BGBYJFYRCSAEAY-UHFFFAOYSA-N,4,1,0.294,73,575,441.854,4.612,5,0.406,0.79,1.0,0.1656329244054554,0.3348125556850113,0.4996059214584333,0.6663868137893222,0.41660955383455556
EOS-4-05169,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5ccsn5)nc4)n23)c1,KYBSODDUAMBMNO-UHFFFAOYSA-N,4,1,0.531,24,109,422.42,4.167,5,0.423,0.77,1.0,0.7233739976697965,0.7334315674045645,0.7892365156603386,0.7932201357000891,0.7598155541086972
EOS-4-05170,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4Cl)n23)ccn1,SBGPTUXOEBCNOS-UHFFFAOYSA-N,4,1,0.583,11,0,452.902,4.724,5,0.347,0.73,1.0,0.8816565005825509,0.9167037900075389,0.722868549105613,0.7467360016448495,0.8169912103351381
EOS-4-05171,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ccsc1,UEFBWRKTYQYVGK-UHFFFAOYSA-N,4,1,0.506,97,103,433.468,4.642,5,0.388,0.67,1.0,0.914921869645672,0.7771485847440203,0.8124271811390583,0.7254386265506134,0.807484065519841
EOS-4-05172,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4cscn4)nn3)n12,DWOOJOBHTHDHGS-UHFFFAOYSA-N,4,1,0.376,54,251,443.826,4.429,5,0.406,0.61,0.994,0.6655558220821054,0.6712271263107394,0.709821122609828,0.7720683983277363,0.7046681173326024
EOS-4-05173,CCn1cc(-c2cncc3nnc(-c4ccc(F)cc4F)n23)c(-c2ncc(F)cn2)n1,SSYNWVFKAYMYKA-UHFFFAOYSA-N,4,1,0.385,73,575,422.374,3.549,5,0.44,0.66,1.0,0.20741381673634432,0.38313857857583444,0.48612158179699816,0.589978411349462,0.41666309711465976
EOS-4-05174,Oc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)cc1,YDPDFSXJOMJTCO-UHFFFAOYSA-N,4,1,0.573,11,143,449.923,4.895,5,0.371,0.69,1.0,0.7262953190322802,0.7857497772599548,0.6591306284696046,0.6692824343773559,0.7101145397847989
EOS-4-05175,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)c1,NQXAAXIMLOAYLQ-UHFFFAOYSA-N,4,1,0.547,24,183,433.834,4.015,5,0.386,0.79,1.0,0.6183949009663491,0.6908967856898088,0.7254471934754301,0.7517904872866835,0.6966323418545679
EOS-4-05176,FC(F)c1cnn(Cc2ccc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)cc2)n1,HIPSCWOETFYIQW-UHFFFAOYSA-N,4,1,0.284,22,315,438.829,4.084,5,0.411,0.67,1.0,0.2536837776711672,0.36394010006168187,0.6918134466451923,0.7336457405249811,0.5107707662257556
EOS-4-05177,Fc1cc(F)nc(COc2cncc3nnc(-c4cnnc(-c5cccc(F)n5)c4)n23)c1,OXJWZCLLZUOBLG-UHFFFAOYSA-N,4,1,0.467,4,964,436.357,3.035,5,0.387,0.55,0.907,0.5382513193064218,0.6322818860941677,0.6698906860393393,0.6811219244739908,0.6303864539784799
EOS-4-05178,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4Cl)n23)ccc1F,SAQOKICRHILCSY-UHFFFAOYSA-N,4,1,0.512,4,702,463.885,4.553,5,0.376,0.7,1.0,0.6383815365636352,0.8179357137961757,0.8307346994722774,0.8391131519429785,0.7815412754437667
EOS-4-05180,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4F)n23)c(F)c1,DGPVAVCHSGREKA-UHFFFAOYSA-N,4,1,0.518,34,607,455.375,3.722,5,0.297,0.67,1.0,0.7474556233294497,0.7334401343293812,0.9211243232129395,0.9053183469261874,0.8268346069494894
EOS-4-05181,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCc5cn[nH]c5)n34)ccc2F)n1,HKWVLRKNVRRTET-UHFFFAOYSA-N,4,1,0.473,4,214,412.388,3.166,5,0.471,0.64,0.997,0.879797477897334,0.8295267630731272,0.7621393324652183,0.7254471934754301,0.7992276917277774
EOS-4-05182,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(OCc5cccc(Cl)c5F)ncn4)n23)cc1F,IIFQFEJYQYFSIE-UHFFFAOYSA-N,4,1,0.368,96,140,493.861,3.858,5,0.381,0.73,0.992,0.6044393804399972,0.5467839764238229,0.8469261873757796,0.8211311767527928,0.7048201802480981
EOS-4-05183,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnc(-c5cncnn5)cc4F)n23)nc1,PQPPXWVGUKYOKE-UHFFFAOYSA-N,4,1,0.253,86,377,468.391,2.23,6,0.375,0.66,0.997,0.2590295387567679,0.2904444520594887,0.2312898362003975,0.3409293400041121,0.28042329175519154
EOS-4-05184,CC(F)(F)c1nccc(COc2cncc3nnc(-c4ccc(-c5cncnc5)nc4)n23)n1,LBWMOYINNHBSPR-UHFFFAOYSA-N,4,1,0.442,7,435,447.409,3.124,5,0.387,0.58,1.0,0.5673274621341923,0.6322904530189843,0.5137670481803852,0.3125985196353917,0.5064958707422383
EOS-4-05185,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1cnccc1Cl,HTENRNOCEVVAIM-UHFFFAOYSA-N,4,1,0.484,4,702,487.882,4.5,5,0.344,0.71,1.0,0.8718559385922829,0.894986635597286,0.8763193064217668,0.8289870468096772,0.8680372318552532
EOS-4-05186,CN(Cc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12)c1cc(F)ccc1F,XLJPFIRBNFJOMY-UHFFFAOYSA-N,4,1,0.426,14,189,434.475,4.829,5,0.397,0.69,1.0,0.25903810568158453,0.32551744225892676,0.7892450825851552,0.7517990542115003,0.5313999211842917
EOS-4-05187,COc1c(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc(F)c1-c1cccnn1,JRUNTFSUMIEUPT-UHFFFAOYSA-N,4,1,0.5,35,161,461.432,3.552,5,0.363,0.68,1.0,0.8175587691042423,0.6566719210472209,0.6620005482831882,0.5931310396819958,0.6823405695291618
EOS-4-05188,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cn2)n1,GYIDMIRDBNMIRO-UHFFFAOYSA-N,4,1,0.478,55,283,448.849,3.718,5,0.375,0.69,1.0,0.8402953875676787,0.8064646014666575,0.5443167020766225,0.5118737577959016,0.6757376122267151
EOS-4-05189,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)nc(Cl)n5)n34)cnn2)nc1,BVJXXQYDIKAAGG-UHFFFAOYSA-N,4,1,0.436,55,486,453.8,2.944,5,0.292,0.57,0.995,0.5728702624905764,0.6760160372832568,0.49961448838324996,0.5453361661298061,0.5734592385717223
EOS-4-05190,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)c(F)c2)cs1,SRCOQTPXMZFNGE-UHFFFAOYSA-N,4,1,0.522,88,684,468.464,4.657,5,0.338,0.71,1.0,0.8583544650812145,0.8972740045233363,0.8142690699746419,0.7744585703515866,0.8360890274826948
EOS-4-05191,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1F,SYDRAMFCBJNJPJ-UHFFFAOYSA-N,4,1,0.578,43,293,432.434,4.532,5,0.394,0.73,1.0,0.8673240353642656,0.7195445822767459,0.8021468713590569,0.7794188198204373,0.7921085772051264
EOS-4-05192,N#CCc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cccnn5)c4)n23)nc1,MBPRZXYRGDFATH-UHFFFAOYSA-N,4,1,0.511,4,214,438.426,3.427,5,0.396,0.73,1.0,0.7474641902542664,0.7687444314988692,0.7334315674045645,0.6841974504831746,0.7334594099102186
EOS-4-05193,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cccnc5)cc4)n23)c(F)c1F,SBOJOBZSOVERQA-UHFFFAOYSA-N,4,1,0.318,62,586,458.428,4.283,5,0.422,0.83,1.0,0.6559780001370707,0.5652628332533753,0.832422383661161,0.762122198615585,0.703946353916798
EOS-4-05194,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ncc(F)cc5F)cn4)n23)cc1F,JTPSYZAADHHTCU-UHFFFAOYSA-N,4,1,0.337,73,736,448.368,2.826,5,0.448,0.73,1.0,0.30466554725515727,0.3255260091837434,0.6209135768624494,0.6346891919676513,0.4714485813172503
EOS-4-05195,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)ccc1F,DSZZYAKZYIFQKF-UHFFFAOYSA-N,4,1,0.547,4,702,447.43,4.039,5,0.401,0.76,1.0,0.7792389143992873,0.8363032006031115,0.759672058118018,0.7254557604002467,0.7751674833801658
EOS-4-05196,Fc1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1cncnc1,ZYQGSZAJMKHKOJ-UHFFFAOYSA-N,4,1,0.518,35,494,414.404,2.799,5,0.418,0.68,1.0,0.8759080940305668,0.8844493180727846,0.40753718045370435,0.41432218490850525,0.6455541943663903
EOS-4-05197,FCc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)ccn1,QPTDCWLONZLNDK-UHFFFAOYSA-N,4,1,0.523,97,666,436.447,4.497,5,0.39,0.74,1.0,0.8021383044342403,0.7471729148104996,0.7098296895346446,0.6692910013021726,0.7321079775203893
EOS-4-05198,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cnncc5F)n34)c(F)c2)n1,PZELJCBDPAGKSF-UHFFFAOYSA-N,4,1,0.483,36,659,433.382,2.599,5,0.412,0.72,1.0,0.820300185045576,0.7981889520937564,0.4753872250017134,0.45533205400589405,0.637302104036735
EOS-4-05199,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)c1,NSVOBAGFSWNATJ-UHFFFAOYSA-N,4,1,0.59,35,619,417.469,4.675,5,0.402,0.73,1.0,0.9466280583921596,0.9147248303748886,0.7644267013912686,0.767202385031869,0.8482454937975463
EOS-4-05200,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cocn4)nc3Cl)n12,RMNOENNCIYEYQE-UHFFFAOYSA-N,4,1,0.53,58,28,437.822,3.65,5,0.371,0.67,1.0,0.8021468713590569,0.7771571516688369,0.4996230553080666,0.5286906312110204,0.6519044273867453
EOS-4-05201,N#Cc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1Cl,WCXDMCBQXBTXMP-UHFFFAOYSA-N,4,1,0.529,90,473,412.24,3.381,4,0.495,0.73,1.0,0.929571311082174,0.9147333972997053,0.6563549448290041,0.7363957233911316,0.8092638441505038
EOS-4-05202,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c(F)n1,BREWZMRUYMTWRZ-UHFFFAOYSA-N,4,1,0.675,90,948,428.374,2.585,4,0.475,0.76,1.0,0.747472757179083,0.537420327599205,0.6419282434377356,0.5712254129257761,0.62451168528545
EOS-4-05203,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4F)n23)c1,PNVHYJLZZYIHSI-UHFFFAOYSA-N,4,1,0.528,11,0,420.379,3.741,5,0.413,0.7,1.0,0.8583630320060311,0.7514992118429169,0.7254557604002467,0.720135700089096,0.7638634260845727
EOS-4-05204,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c(Cl)cn1,RUEGYCPRRMXAOI-UHFFFAOYSA-N,4,1,0.588,35,352,452.902,4.724,5,0.347,0.65,1.0,0.9230004797477898,0.9338376396408745,0.7807980947159208,0.7932287026249057,0.8577162291823728
EOS-4-05205,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C#N)c(F)c4)n23)c(F)c1F,MJBBONNGQRWIAE-UHFFFAOYSA-N,4,1,0.362,23,129,408.343,3.107,4,0.562,0.8,1.0,0.4141251456377219,0.4965646631485162,0.9427900760742923,0.9228034404770064,0.6940708313343842
EOS-4-05206,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1,GYHGMILALZYZLA-UHFFFAOYSA-N,4,1,0.561,43,178,418.407,4.049,5,0.431,0.74,1.0,0.9175861832636557,0.7103694057980947,0.9069717634158042,0.8757881570831334,0.8526788773901721
EOS-4-05207,N#Cc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,JPDXGJYMIWZPMX-UHFFFAOYSA-N,4,1,0.74,90,811,395.785,2.867,4,0.512,0.8,1.0,0.9074343773559044,0.9184086080460558,0.7483979850592831,0.7647865122335686,0.834756870673703
EOS-4-05208,NC(=O)c1ccc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cc4)n23)cc1F,BVFZQFFLFKMCAF-UHFFFAOYSA-N,4,1,0.355,96,46,429.39,3.292,5,0.469,0.88,0.993,0.23492221232266466,0.31579398259200875,0.7124597354533616,0.7388972654375985,0.5005182989514083
EOS-4-05209,Fc1cccc(-c2cnccc2-c2nnc3cncc(-c4cc(-c5cccnn5)ncn4)n23)c1,KLZKPWXMTZMXJR-UHFFFAOYSA-N,4,1,0.33,32,572,447.437,3.906,6,0.4,0.73,0.994,0.2456822698923994,0.31580254951682546,0.5710455075046261,0.6286752107463505,0.4403013844150504
EOS-4-05210,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)cnn4)n23)nc1,AUGPJPAUDORWMR-UHFFFAOYSA-N,4,1,0.258,94,892,466.415,3.441,6,0.36,0.53,0.764,0.2774569940374203,0.3736635597285998,0.5545884449318073,0.6144198478514152,0.45503221163731067
EOS-4-05211,COCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)nc1,AEDCUBNJPHWMKB-UHFFFAOYSA-N,4,1,0.61,90,683,413.84,3.747,4,0.459,0.8,1.0,0.7680333767390858,0.6416541018436023,0.8324309505859776,0.79985093550819,0.7604923411692139
EOS-4-05212,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)c(F)c1,SFEMVOPDXNQDLD-UHFFFAOYSA-N,4,1,0.373,74,914,446.377,2.813,5,0.436,0.7,0.999,0.5433743403467891,0.5056884380782675,0.5137756151052019,0.4143307518333219,0.49429228634089506
EOS-4-05213,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)nc1Cl,RNLGWMYGZFEBBA-UHFFFAOYSA-N,4,1,0.505,75,420,448.849,3.452,5,0.364,0.57,1.0,0.8541138372969639,0.829535329997944,0.4255705571927901,0.4553406209307107,0.6411400863546022
EOS-4-05214,Cc1csc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(C)c5F)n34)c(F)n2)n1,CEAWNZJVIZLQDC-UHFFFAOYSA-N,4,1,0.477,59,109,468.464,4.923,5,0.341,0.63,0.999,0.7764803646083202,0.8102083476115414,0.7715886505380029,0.712245562332945,0.7676307312727023
EOS-4-05215,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C(F)F)n4)n23)ccc1-c1ccsn1,HPQOVEZVDBOSHM-UHFFFAOYSA-N,4,1,0.5,4,61,484.463,4.974,5,0.322,0.63,1.0,0.7353848262627647,0.7939740250839559,0.8486738400383799,0.7201442670139127,0.7745442395997533
EOS-4-05216,Fc1cc(-c2nccnn2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,HPUCGBYIXJZOHM-UHFFFAOYSA-N,4,1,0.566,37,202,415.392,2.194,5,0.411,0.64,1.0,0.8891611267219519,0.9167123569323555,0.32205640463299295,0.3217736961140429,0.6124258961003357
EOS-4-05217,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)ncc1Cl,JWHRKDDRRMJOCS-UHFFFAOYSA-N,4,1,0.495,87,143,470.892,4.863,5,0.33,0.69,1.0,0.8230587348365431,0.8710078130354328,0.7715972174628195,0.8062589952710575,0.8179806901514632
EOS-4-05218,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cncs1,VRFAUDJAVVGPQF-UHFFFAOYSA-N,4,1,0.6,97,103,433.468,4.642,5,0.388,0.76,1.0,0.9281149338633404,0.8499760126105134,0.810294016859708,0.7279316016722637,0.8290791412514564
EOS-4-05219,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,BRNGKKFOOYWGGK-UHFFFAOYSA-N,4,1,0.494,24,199,439.863,4.076,5,0.407,0.62,1.0,0.7263038859570968,0.6712356932355562,0.6889092591323418,0.7036101021177438,0.6975147351106847
EOS-4-05220,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)c(F)c5)cn4)n23)cc1F,RVKALPVTLBUNIM-UHFFFAOYSA-N,4,1,0.434,96,504,489.417,3.622,5,0.388,0.84,1.0,0.315065793982592,0.4207473785210061,0.8002278802001234,0.7336543074497979,0.5674238400383798
EOS-4-05221,Fc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cncnc6)nc5)n34)cn2)cn1,BZMSWCAQUJLIMN-UHFFFAOYSA-N,4,1,0.305,86,165,449.413,2.696,6,0.37,0.68,1.0,0.24838941813446644,0.35427660886848056,0.35558734836543077,0.3409379069289288,0.3247978205743266
EOS-4-05222,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncco4)nc3Cl)n12,KWTBBKQHCKXBLJ-UHFFFAOYSA-N,4,1,0.524,58,28,437.822,3.65,5,0.371,0.62,1.0,0.7821773696114043,0.7241278870536633,0.49963162223288327,0.5251953258858201,0.6327830511959428
EOS-4-05223,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5csc(C(F)F)n5)cc4)n23)c1Cl,AHWIENYHRJVIRT-UHFFFAOYSA-N,4,1,0.529,57,178,505.884,6.363,5,0.198,0.69,1.0,0.9590758001507779,0.9472962785278597,0.9744705640463299,0.9700842985401961,0.9627317353162909
EOS-4-05224,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccoc5)n4)n23)cc1,UORJZGFLISMKPS-UHFFFAOYSA-N,4,1,0.364,96,139,464.407,4.247,5,0.404,0.78,1.0,0.35582722226029745,0.3878503872250017,0.8080837502570077,0.7439860187786992,0.5739368446302515
EOS-4-05225,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cc2Cl)cs1,SUCMFXWMPARRDP-UHFFFAOYSA-N,4,1,0.541,4,92,470.892,5.129,5,0.331,0.81,1.0,0.6808649167294908,0.821927900760743,0.8195205948872593,0.8269224179288602,0.7873089575765883
EOS-4-05226,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12,PEJFWUIQXCNNJQ-UHFFFAOYSA-N,4,1,0.692,11,28,452.902,4.724,5,0.347,0.65,1.0,0.7905900897813721,0.8972825714481529,0.6563635117538208,0.7122541292577617,0.7641225755602769
EOS-4-05228,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)ccc2F)nn1,IYCOFRMAJYTNAZ-UHFFFAOYSA-N,4,1,0.494,73,526,466.839,3.857,5,0.384,0.63,1.0,0.8073983962716743,0.8622952504968816,0.6448923994243027,0.689705983140292,0.7510730073332876
EOS-4-05229,Fc1cc(-c2ccon2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,CEHLZTKRXBTZJX-UHFFFAOYSA-N,4,1,0.571,11,0,420.379,3.741,5,0.387,0.74,1.0,0.817567336029059,0.7559540127475841,0.7435405386882324,0.7279401685970804,0.761250514015489
EOS-4-05230,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,IPAAHKSGTDDXLL-UHFFFAOYSA-N,4,1,0.56,35,0,452.902,4.724,5,0.371,0.74,1.0,0.865096634911932,0.9202504968816394,0.7306473168391474,0.7647950791583853,0.8201973819477759
EOS-4-05231,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C)n4)n23)ccc1-c1ccc(F)cn1,LLQTZTAHJQXQPH-UHFFFAOYSA-N,4,1,0.478,4,61,460.444,4.423,5,0.371,0.72,1.0,0.8304434240285107,0.7729250908094031,0.7955332054005894,0.6811304913988074,0.7700080529093276
EOS-4-05232,Fc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1c[nH]nn1,RWHJSWNINVJIIX-UHFFFAOYSA-N,4,1,0.679,91,273,435.85,3.99,5,0.433,0.66,1.0,0.9042303474744706,0.9016688369542869,0.8039887601946405,0.8449300938934959,0.8637045096292234
EOS-4-05233,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)cn1,LCPPXMDWSQYVAM-UHFFFAOYSA-N,4,1,0.492,96,274,403.808,4.103,5,0.451,0.81,1.0,0.37440031526283324,0.6616664382153382,0.7760091837434034,0.837014255362895,0.6622725481461174
EOS-4-05234,Fc1cnccc1CCOc1cncc2nnc(-c3cncnc3-c3ncccn3)n12,QUGHTZROJBSYBT-UHFFFAOYSA-N,4,1,0.5,65,262,415.392,2.194,5,0.411,0.68,1.0,0.7444229319443493,0.6416626687684189,0.19592557055719279,0.21449009663491192,0.4491253169762182
EOS-4-05235,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cncnc1Cl,ARNDEJISLPFBHD-UHFFFAOYSA-N,4,1,0.495,35,103,477.887,4.066,5,0.255,0.68,1.0,0.9420019189911589,0.8710163799602495,0.7334401343293812,0.6636539647728051,0.8025280995133988
EOS-4-05236,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cncc(F)n5)n34)ccn2)nc1,NSJRKRMGJNGCEK-UHFFFAOYSA-N,4,1,0.477,24,199,418.367,2.896,5,0.429,0.69,1.0,0.6184034678911657,0.5799636762387773,0.5275083955863203,0.5185645260777192,0.5611100164484957
EOS-4-05237,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4-n4ccnc4)n23)cc1F,BEDXDFRNMWNHNF-UHFFFAOYSA-N,4,1,0.564,88,70,461.432,2.976,5,0.399,0.68,1.0,0.5460215201151395,0.17733534370502366,0.7022736618463437,0.637739017202385,0.515842385717223
EOS-4-05238,COc1cc(Oc2ncc(F)cn2)ccc1-c1cncc2nnc(-c3ccnc(C)c3)n12,SIKWTFMCFXVNGH-UHFFFAOYSA-N,4,1,0.341,82,478,429.415,3.892,5,0.415,0.69,1.0,0.5000514015489,0.3542851757932972,0.5710540744294428,0.3984134055239531,0.4559510143238983
EOS-4-05240,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)nn2)c1,PNXRBMFUUDFXDC-UHFFFAOYSA-N,4,1,0.433,54,411,452.812,3.549,5,0.399,0.68,0.667,0.6239719690219999,0.6371478993900349,0.6028716331985471,0.6928329106983757,0.6392061030772394
EOS-4-05241,Cc1nnc(-c2ccc(-c3nnc4cncc(CNCc5cc(F)cc(F)c5F)n34)cc2F)s1,QMPAYKAHHHYPRQ-UHFFFAOYSA-N,4,1,0.352,45,291,485.47,4.464,5,0.283,0.71,1.0,0.3511239805359468,0.46496984442464534,0.8324395175107944,0.8410235761770954,0.6223892296621205
EOS-4-05242,COc1ncc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)cc1F,PXTBJPDLKZBCRJ-UHFFFAOYSA-N,4,1,0.343,68,364,401.352,2.827,4,0.508,0.65,1.0,0.4346600644232746,0.5993420601740799,0.6149595641148653,0.36994551435816597,0.5047268007675965
EOS-4-05243,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,OLCLQYLWIQSLHZ-UHFFFAOYSA-N,4,1,0.522,72,386,447.861,4.057,5,0.387,0.71,1.0,0.9162411760674388,0.9338462065656912,0.6834778287985744,0.7279487355218971,0.8153784867384004
EOS-4-05244,Cc1ccc(-c2nnc3cncc(-c4cccc(C(=O)Cc5ncc(F)cn5)n4)n23)c(F)c1,NPNMLFXMHHOVMC-UHFFFAOYSA-N,4,1,0.35,96,155,443.417,3.655,5,0.382,0.72,1.0,0.3650795010622987,0.4207559454458228,0.39662291823726953,0.43333219107669113,0.40394763895552055
EOS-4-05245,Fc1cncc(-c2nnc3cncc(OCc4ccc(-c5cnc(F)cn5)cn4)n23)c1,NJCJXPWWMXFNOS-UHFFFAOYSA-N,4,1,0.523,2,85,418.367,2.896,5,0.429,0.7,1.0,0.5673360290590089,0.6186347748612158,0.6028802001233637,0.57442944280721,0.5908201117126997
EOS-4-05246,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(C(F)(F)F)o4)n23)cc1,QQJCQGYNKZUTKH-UHFFFAOYSA-N,4,1,0.549,15,320,456.388,3.215,5,0.383,0.65,1.0,0.7016739771091769,0.6040967034473306,0.6090055513672812,0.3984219724487698,0.5782995510931396
EOS-4-05247,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)nc4Cl)n23)ccn1,PKFIORAAEDTFDD-UHFFFAOYSA-N,4,1,0.542,58,28,437.822,3.65,5,0.371,0.6,1.0,0.8282417243506272,0.7642467959701186,0.4893598793776986,0.505260091837434,0.6467771228839696
EOS-4-05249,N#Cc1cc(C(=O)N2CCCC2)ccc1-c1cncc2nnc(-c3cc(F)ccc3F)n12,JRKHRQXYIJPWQD-UHFFFAOYSA-N,4,1,0.358,0,21,430.418,3.844,5,0.493,0.84,0.997,0.1822955931738743,0.19457199643615927,0.17948564183400725,0.5018161880611336,0.26454235487629363
EOS-4-05250,Cc1ccc(-c2nnc3cncc(-c4ncc(Oc5ccc(F)cc5F)nn4)n23)nc1,DNJOFZOBPUDHQF-UHFFFAOYSA-N,4,1,0.323,22,251,418.367,3.417,5,0.437,0.8,0.999,0.49245253923651566,0.579972243163594,0.48252347337399765,0.515420464670002,0.5175921801110273
EOS-4-05251,N#Cc1cc(-c2cscn2)cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)c1,QUMWHHGAIDRGLH-UHFFFAOYSA-N,4,1,0.467,4,486,448.418,3.434,5,0.376,0.62,1.0,0.7263124528819135,0.6469570283051196,0.6780978000137071,0.6520971831951203,0.6758661160989651
EOS-4-05252,Fc1ccc(-c2cncnc2-c2nnc3cncc(-c4ncc(-c5cccs5)cn4)n23)cc1,DVSYKGNFJRXYHB-UHFFFAOYSA-N,4,1,0.301,94,106,452.478,4.573,6,0.387,0.7,0.93,0.3150743609074087,0.3784010691522171,0.45822767459392777,0.5584178603248577,0.4275302412446028
EOS-4-05253,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Br)c(F)n4)n23)c(F)c1F,DKNXPJOEZDNZQQ-UHFFFAOYSA-N,4,1,0.327,90,26,477.244,3.783,4,0.453,0.75,0.709,0.3719587416900829,0.464978411349462,0.7644352683160852,0.7364042903159482,0.5844441779178946
EOS-4-05254,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)nc4Cl)n23)c1,GNEHACRBJODGNB-UHFFFAOYSA-N,4,1,0.518,58,28,437.822,3.65,5,0.371,0.58,1.0,0.8230673017613598,0.7515077787677336,0.4687992598176958,0.5084212870947844,0.6379489068603934
EOS-4-05255,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)nc3)n12,XAIPZVDTHCKVLP-UHFFFAOYSA-N,4,1,0.5,58,981,448.849,3.452,5,0.389,0.63,0.992,0.9089078884243712,0.9324412308957577,0.5376345007196217,0.5809146048934275,0.7399745562332947
EOS-4-05257,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1-c1nccs1,YSKWUVQCDVDGDR-UHFFFAOYSA-N,4,1,0.578,11,595,436.447,4.21,5,0.371,0.79,1.0,0.9281235007881571,0.9086080460557878,0.6834863957233911,0.6811390583236242,0.80033925022274
EOS-4-05258,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncc[nH]1,JHNCHTHDWNWLAC-UHFFFAOYSA-N,4,1,0.533,37,141,435.85,3.99,5,0.433,0.71,1.0,0.8816650675073675,0.8870879309163183,0.6943578233157426,0.7307843876362141,0.7984738023439106
EOS-4-05259,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC)c(F)c4F)n23)cc1F,OFXJEZKSJQBYGB-UHFFFAOYSA-N,4,1,0.337,0,682,468.439,3.375,4,0.452,0.77,1.0,0.4032108834212871,0.4736567061887465,0.6209221437872661,0.5018247549859502,0.49990362209581246
EOS-4-05260,Cc1cc(F)nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)n1,BUHBHEPSKYFVQO-UHFFFAOYSA-N,4,1,0.494,4,208,466.839,3.857,5,0.36,0.69,1.0,0.8353180042491947,0.8949952025221026,0.6028887670481804,0.6144284147762319,0.7369075971489273
EOS-4-05261,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)nc1,OLYKJRAYWPMAQG-UHFFFAOYSA-N,4,1,0.528,75,583,431.406,3.543,5,0.406,0.71,1.0,0.8175759029538757,0.7515163456925502,0.6324360907408677,0.6406774724145021,0.7105514529504491
EOS-4-05262,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,LDJURDIFNASIKK-UHFFFAOYSA-N,4,1,0.583,11,0,452.902,4.724,5,0.347,0.69,1.0,0.8993643341786033,0.929314303337674,0.7098382564594613,0.7336628743746145,0.8180449420875882
EOS-4-05264,Fc1cc(-c2nnc3cncc(OCc4nccc(F)c4Cl)n23)ccc1-c1nc[nH]n1,AAUBLSHALAJRSI-UHFFFAOYSA-N,4,1,0.489,47,164,440.801,3.482,5,0.446,0.62,1.0,0.7735676101706531,0.810216914536358,0.7572647522445343,0.7954989377013227,0.7841370536632171
EOS-4-05265,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)nc4)n23)c1Cl,DNIAGPSUWWJYNG-UHFFFAOYSA-N,4,1,0.523,58,698,437.822,3.65,5,0.371,0.63,1.0,0.7989771091768899,0.7813892125282709,0.5575526009183743,0.5615533548077583,0.6748680693578234
EOS-4-05266,N#Cc1ncc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)cc1F,MYXQAMSRAITVJG-UHFFFAOYSA-N,4,1,0.478,24,912,464.873,3.948,5,0.359,0.56,0.999,0.7878229730655884,0.7515249126173669,0.6809334521280241,0.6721951888150229,0.7231191316565005
EOS-4-05267,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nnc1Cl,QVANCJAWBVMMNK-UHFFFAOYSA-N,4,1,0.658,90,400,405.22,3.649,4,0.505,0.77,1.0,0.973048454526763,0.9855904324583648,0.6862792132136248,0.8269309848536769,0.8679622712631073
EOS-4-05268,Cc1nc(-c2ccc(-c3nnc4cncc(COCc5ccc(F)c(F)c5)n34)cc2F)no1,XDOBJAXYKKHEJH-UHFFFAOYSA-N,4,1,0.663,14,358,452.396,4.284,5,0.38,0.8,1.0,0.5986138715646632,0.7149955451990954,0.8549448290041807,0.8391217188677952,0.7519189911589336
EOS-4-05269,Cc1ccc(-c2nnc3cncc(OCCc4nc(F)ncc4F)n23)c(Cl)c1,ZBHDCXRHNDREME-UHFFFAOYSA-N,4,1,0.554,90,281,402.792,3.443,4,0.476,0.67,1.0,0.8872935371119183,0.9397145500651086,0.6449009663491193,0.6982043725584264,0.7925283565211432
EOS-4-05270,Cn1ncc(-c2cc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)ccc2F)n1,SKUBJDDMCZRMSA-UHFFFAOYSA-N,4,1,0.451,73,404,439.361,2.373,5,0.384,0.63,0.986,0.6530909464738538,0.6712442601603729,0.5068449729285176,0.4830460557878144,0.5785565588376397
EOS-4-05271,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)nc1,GJJAZWMRHUYFND-UHFFFAOYSA-N,4,1,0.523,24,28,471.88,4.875,5,0.326,0.55,0.997,0.629463367829484,0.7729336577342197,0.8021554382838736,0.7794273867452539,0.7459949626482079
EOS-4-05272,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cc1F,PSQKJYHEJANDBM-UHFFFAOYSA-N,4,1,0.358,96,648,429.39,3.292,5,0.469,0.85,1.0,0.304674114179974,0.22891679802618053,0.6862877801384415,0.6663953807141388,0.4715685182646837
EOS-4-05273,FCc1ncc(CCOc2cncc3nnc(-c4csc(-c5ccc(F)cc5)c4)n23)c(Cl)n1,ODBIKWAPEWFVHN-UHFFFAOYSA-N,4,1,0.528,84,76,484.919,5.193,5,0.296,0.65,1.0,0.6987269549722431,0.7103779727229114,0.6179665547255158,0.7094527448427113,0.6841310568158454
EOS-4-05274,Cc1nc(-c2cc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)ccc2F)cs1,PEWCCSQOLACROH-UHFFFAOYSA-N,4,1,0.462,4,526,455.425,4.01,5,0.37,0.74,1.0,0.7706462888081694,0.8140977314783086,0.6387841820300185,0.6081574258104311,0.7079214070317319
EOS-4-05275,Cn1cncc1-c1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ncn1,OJUPDFKSQFOALT-UHFFFAOYSA-N,4,1,0.363,46,971,440.801,3.706,5,0.42,0.63,0.98,0.5673445959838257,0.5327170858748543,0.7382290453018985,0.7439945857035158,0.6455713282160236
EOS-4-05276,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)cc1F,IVHAYXFGWSZRAP-UHFFFAOYSA-N,4,1,0.333,74,914,446.377,2.813,5,0.436,0.78,1.0,0.5230021931327531,0.5010280309780001,0.5137841820300185,0.42374580220683983,0.4903900520869029
EOS-4-05277,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)nc5)n34)nn2)ccn1,BLYCNPHJQUSRGL-UHFFFAOYSA-N,4,1,0.385,54,411,435.81,2.805,5,0.303,0.63,0.839,0.6836834349941745,0.590081214447262,0.4217754094990062,0.44595983825645946,0.5353749742992255
EOS-4-05278,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(Cl)c1C(F)(F)F,FLYNHZZQKLRJOJ-UHFFFAOYSA-N,4,1,0.343,0,188,500.843,5.033,5,0.396,0.77,1.0,0.40111198684120347,0.5948187238708793,0.9765094921526969,0.9747361387156467,0.7367940853951066
EOS-4-05279,Fc1cnc(-c2nccs2)cc1-c1nnc2cncc(OCc3nccc(F)c3F)n12,BSGTZOJAFVIFCN-UHFFFAOYSA-N,4,1,0.483,24,199,441.398,3.701,5,0.411,0.61,0.993,0.7263210198067301,0.7642553628949352,0.644909533273936,0.6576142827770544,0.6982750496881639
EOS-4-05280,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)c(F)c4)n23)cc1F,BBRWZTZDXJYYNZ-UHFFFAOYSA-N,4,1,0.355,0,21,481.434,3.707,5,0.413,0.72,1.0,0.2456908368172161,0.24926324446576656,0.33669727914467823,0.45534918785552736,0.3217501370707971
EOS-4-05281,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4Cl)n23)ccc1F,BCEOYOYASAIUQU-UHFFFAOYSA-N,4,1,0.511,4,702,463.885,4.553,5,0.376,0.78,1.0,0.7233825645946131,0.8532057432663971,0.7553457610856007,0.7621307655404016,0.7735162086217531
EOS-4-05283,Cc1nnc(-c2cccc(NCc3cncc4nnc(-c5ccc(C(F)(F)F)nc5)n34)c2)s1,ZXWXNXQMQUFXHC-UHFFFAOYSA-N,4,1,0.432,14,476,468.468,4.644,5,0.401,0.82,1.0,0.15465012679048729,0.16469056267562196,0.766893975738469,0.5744380097320266,0.4151681687341512
EOS-4-05284,Oc1ncc(F)cc1COc1cncc2nnc(-c3cccc(-c4cncs4)c3)n12,XAZRFSDYRLUJEB-UHFFFAOYSA-N,4,1,0.494,97,91,420.429,3.734,5,0.462,0.54,1.0,0.7048094715920773,0.5852409019258447,0.6090141182920978,0.5453447330546227,0.6111023062161606
EOS-4-05285,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5csc(Cl)n5)n34)cc(C(F)F)c2)nc1,SHNSPSXSGWHBHD-UHFFFAOYSA-N,4,1,0.512,27,82,489.87,5.014,5,0.331,0.65,1.0,0.6294719347543006,0.7195531492015627,0.8564354739222808,0.8410321431019121,0.761623175245014
EOS-4-05286,Fc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,HCYABNSJXGWMGQ-UHFFFAOYSA-N,4,1,0.517,58,271,448.849,3.452,5,0.364,0.65,1.0,0.9189997258584058,0.9184171749708725,0.5068535398533343,0.5422263724213556,0.7216242032759921
EOS-4-05288,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(OC3COc4ccccc4C3)n12,IBVXAMJHYLXPJE-UHFFFAOYSA-N,4,1,0.449,43,309,429.415,3.098,6,0.468,0.58,1.0,0.7821859365362209,0.7771657185936536,0.7124683023781784,0.7009886231238435,0.7432021451579741
EOS-4-05289,O=C(c1ccc(-c2cncc3nnc(-c4ncncc4-c4cccc(F)c4)n23)cc1F)N1CC(F)C1,LELJWFBGIPYVPF-UHFFFAOYSA-N,4,1,0.291,96,376,487.445,3.987,6,0.381,0.78,0.739,0.277465560962237,0.3736721266534165,0.48936844630251525,0.6751679117264067,0.45391851141114387
EOS-4-05290,COc1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1-c1ccsc1,FLGOPEVPUXPYQP-UHFFFAOYSA-N,4,1,0.5,97,103,433.468,4.642,5,0.388,0.69,1.0,0.9243369200191899,0.7900589404427387,0.8307432663970941,0.7440031526283325,0.8222855698718388
EOS-4-05291,Fc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1nnco1,RXCFLXUBMFAZHU-UHFFFAOYSA-N,4,1,0.565,37,161,437.822,3.65,5,0.396,0.64,1.0,0.912034815982455,0.8593739291343979,0.669899252964156,0.6982129394832431,0.7848802343910629
EOS-4-05293,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)c(Cl)c4)n23)nc1,AYFBWHPNTDEIEO-UHFFFAOYSA-N,4,1,0.565,37,141,464.316,4.572,5,0.364,0.69,1.0,0.8759166609553835,0.9066205194983209,0.707293879788911,0.7768059077513536,0.8166592419984923
EOS-4-05294,FCc1cc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)ccn1,CSRQAWSEZBJWRR-UHFFFAOYSA-N,4,1,0.467,55,143,452.902,5.012,5,0.337,0.66,1.0,0.6352974436296347,0.6909053526146255,0.6670893016242889,0.6751764786512233,0.667117144129943
EOS-4-05295,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccnc(OC(F)F)c4)n23)c(F)c1,KXLMREOVRWYZQL-UHFFFAOYSA-N,4,1,0.387,0,999,440.385,3.486,5,0.493,0.88,0.998,0.5407699952025221,0.6138544308135152,0.7149098759509287,0.7336714412994312,0.6508014358165992
EOS-4-05296,Fc1cnc(-c2nnc3cncc(OCc4cc(-c5cnc(F)nc5)ncn4)n23)nc1,ANDHJDGRPVXOQO-UHFFFAOYSA-N,4,1,0.413,7,434,420.343,1.685,5,0.387,0.61,0.915,0.5811116441642108,0.42964841340552395,0.20656569117949422,0.19934377355904326,0.35416738057706804
EOS-4-05297,Fc1ncc(Cl)nc1Oc1cncc2nnc(-c3cc(-c4ccnnc4)ncn3)n12,JIONBLPOIXULMR-UHFFFAOYSA-N,4,1,0.299,46,395,422.771,2.413,5,0.425,0.57,0.98,0.6184120348159825,0.5608937015968748,0.24911760674388322,0.2790333082036872,0.42686416284010686
EOS-4-05298,CCOc1ncc(F)c(COc2cncc3nnc(-c4ccc(Cl)c(C)c4)n23)n1,UPGWIKQNWJSSAF-UHFFFAOYSA-N,4,1,0.483,90,555,414.828,3.66,4,0.475,0.73,1.0,0.762276403262285,0.84998457953533,0.46880782674251253,0.4333407580015078,0.6286023918854088
EOS-4-05299,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(Cc3ccc(C(F)F)nn3)n12,UJRSAKCWPZYOLE-UHFFFAOYSA-N,4,1,0.341,85,476,440.414,3.767,5,0.384,0.54,1.0,0.2696696593790693,0.4343173874306079,0.4861301487218148,0.47399081625659656,0.4160270029470221
EOS-4-05300,Fc1cc(COc2cncc3nnc(-c4ccc(OC(F)F)nc4)n23)nc(-c2nnco2)c1,MLOGZQFKMNABLG-UHFFFAOYSA-N,4,1,0.453,27,617,456.344,2.951,5,0.361,0.72,1.0,0.6184206017407992,0.6809248852032075,0.647693783839353,0.5712339798505929,0.6295683126584881
EOS-4-05301,Fc1cc(F)cc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1,DLGFEGISIAQUBO-UHFFFAOYSA-N,4,1,0.587,24,912,422.42,4.167,5,0.423,0.73,1.0,0.7109005551367281,0.6229096703447331,0.797889109725173,0.7907185936536221,0.7306044822150641
EOS-4-05302,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2F)nc1,KOGACNARFJNSRP-UHFFFAOYSA-N,4,1,0.625,35,393,427.443,3.712,5,0.408,0.78,1.0,0.9162497429922555,0.9184257418956892,0.5443252690014393,0.4860787471729148,0.7162698752655747
EOS-4-05303,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ccc(F)nn1,ALALVGQCKLMQBT-UHFFFAOYSA-N,4,1,0.365,14,189,447.405,3.509,5,0.365,0.75,1.0,0.6014323898293469,0.565271400178192,0.7334487012541978,0.6229953395928998,0.6307869577136591
EOS-4-05304,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccc4ncccc4c3)n12,VQHDHJARECMPSA-UHFFFAOYSA-N,4,1,0.567,11,0,468.517,5.224,6,0.333,0.74,1.0,0.8203087519703927,0.9066290864231376,0.7022822287711603,0.7064971557809608,0.7839293057364128
EOS-4-05305,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)c(F)c2)n[nH]1,UFVQHBYCCVJOFL-UHFFFAOYSA-N,4,1,0.505,37,832,467.867,4.438,5,0.371,0.63,1.0,0.8630748406551985,0.8950037694469193,0.8390960180933452,0.8331077376464944,0.8575705914604894
EOS-4-05306,Cc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cnco1,XDZYGXCFQFFWBX-UHFFFAOYSA-N,4,1,0.444,59,910,420.379,4.007,5,0.424,0.69,0.999,0.7935371119183058,0.6371564663148516,0.7808066616407374,0.7307929545610308,0.7355732986087314
EOS-4-05307,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)n1,OJPYLSWRNWRIBJ-UHFFFAOYSA-N,4,1,0.473,24,486,458.841,3.61,5,0.29,0.6,0.999,0.6808734836543074,0.7008686861764101,0.4789767664998972,0.5217856898087863,0.5956261565348502
EOS-4-05308,Cc1cncc(C)c1-c1cc(F)cc(COc2cncc3nnc(-c4ccccn4)n23)c1,QPZFHURGHVPWIF-UHFFFAOYSA-N,4,1,0.488,97,348,426.455,4.583,5,0.409,0.78,1.0,0.6530995133986705,0.5281766157220205,0.7334572681790145,0.657622849701871,0.6430890617503942
EOS-4-05309,Fc1nc(-c2ccc(Cl)nn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,JZMXSNILUSQZQK-UHFFFAOYSA-N,4,1,0.529,58,271,448.849,3.452,5,0.364,0.65,1.0,0.9105013364402714,0.9147419642245219,0.4439294770749092,0.4860873140977315,0.6888150229593585
EOS-4-05313,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cccnn5)ncn4)n23)c(F)c1,FYQJYJGYWYPJBT-UHFFFAOYSA-N,4,1,0.376,44,971,404.34,3.109,5,0.45,0.73,0.994,0.5930368035090124,0.5467925433486396,0.6118926050304982,0.6346977588924679,0.5966049276951546
EOS-4-05314,N#Cc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc(-c2ccc(C(F)F)nc2)n1,JZLZPKLOCNPPHM-UHFFFAOYSA-N,4,1,0.439,27,69,491.849,4.08,5,0.345,0.61,0.939,0.6559865670618875,0.7900675073675554,0.8214995545199095,0.7672109519566856,0.7586911452265095
EOS-4-05315,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1F,HHVHSZWCOSQAPI-UHFFFAOYSA-N,4,1,0.516,65,324,432.394,2.938,5,0.403,0.65,1.0,0.7562538551161675,0.8363117675279281,0.4960849153587828,0.48609588102254814,0.6436866047563566
EOS-4-05316,CC(F)(F)c1ncc(-c2nnc3cncc(OCc4cnnc(-c5ccncn5)c4)n23)cn1,OFNIKCPNSWFOAC-UHFFFAOYSA-N,4,1,0.406,51,48,448.397,2.519,5,0.382,0.55,1.0,0.6958484682338428,0.5010365979028168,0.40031526283325336,0.22895963265026387,0.4565399904050442
EOS-4-05317,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1F,PJIBHLKGAPCDDK-UHFFFAOYSA-N,4,1,0.593,35,352,436.447,4.21,5,0.371,0.63,1.0,0.8798060448221506,0.8994928380508532,0.7760177506682201,0.7415530121307655,0.8242174114179973
EOS-4-05318,Fc1ncccc1CCOc1cncc2nnc(-c3cnc(-c4ccccn4)cn3)n12,ZVIFSBVITFMUEE-UHFFFAOYSA-N,4,1,0.483,18,181,414.404,2.799,5,0.391,0.74,1.0,0.6958570351586595,0.6519772462476869,0.28564697416215473,0.29087279830032214,0.4810885134672058
EOS-4-05319,C#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4F)n23)c(Cl)n1,LJNQJGFJEKUAAI-UHFFFAOYSA-N,4,1,0.461,16,772,463.885,4.058,5,0.287,0.66,1.0,0.837965184017545,0.8593824960592146,0.6532280172709204,0.6576314166266877,0.752051778493592
EOS-4-05320,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)cc3Cl)n12,ZRVKVZMOMWPVGH-UHFFFAOYSA-N,4,1,0.56,35,0,452.902,4.724,5,0.371,0.77,1.0,0.8353265711740113,0.9016774038791036,0.7306558837639641,0.7621393324652183,0.8074497978205744
EOS-4-05321,N#Cc1cc(-c2nnc3cncc(OC4Cc5ccc(F)cc5C4)n23)ccc1-c1ncon1,BOULMUNAJHFAFF-UHFFFAOYSA-N,4,1,0.5,89,632,439.41,3.398,6,0.418,0.5,1.0,0.9268384620656569,0.790076074292372,0.8021640052086902,0.7955075046261394,0.8286465115482146
EOS-4-05322,Cc1nnc(-c2cccc(-c3nnc4cncc(OCc5ccncc5F)n34)c2)cc1F,FYCXHMSIYXUTFS-UHFFFAOYSA-N,4,1,0.472,72,521,431.406,3.809,5,0.418,0.59,1.0,0.7504026454663834,0.6041052703721472,0.7435491056130491,0.7065057227057775,0.7011406860393393
EOS-4-05323,Fc1cnc(-c2ccc(Oc3cncc4nnc(-c5ccnc(Cl)c5)n34)nn2)nc1,FTFJWTCVLHLBAK-UHFFFAOYSA-N,4,1,0.378,73,775,421.783,3.018,5,0.403,0.68,0.994,0.6353060105544514,0.6664467822630389,0.3333818792406278,0.3953121787403194,0.5076117126996094
EOS-4-05324,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)ncc1Cl,BUTOWTIZLPSLLH-UHFFFAOYSA-N,4,1,0.511,47,164,440.801,3.482,5,0.446,0.66,1.0,0.7905986567061888,0.8064731683914742,0.7932715372489891,0.8130011651017751,0.8008361318621068
EOS-4-05325,FCc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccc5)nc4)n23)c(Cl)n1,NHSXSIKEVAHBLZ-UHFFFAOYSA-N,4,1,0.484,11,700,461.888,4.388,5,0.355,0.59,1.0,0.7650692207525187,0.8179442807209923,0.3517579329723802,0.4522822287711603,0.596763415804263
EOS-4-05326,COc1cc(-c2nnc3cncc(CNCc4cccc(Cl)c4F)n23)ccc1-c1cnco1,CNNBCFDMOOXGJO-UHFFFAOYSA-N,4,1,0.392,14,257,464.888,4.537,5,0.378,0.8,1.0,0.5615019532588582,0.5558991844287574,0.85047289424988,0.8019926667123569,0.6924666746624631
EOS-4-05327,O=c1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)c[nH]1,TXYPLEKBHYSCCZ-UHFFFAOYSA-N,4,1,0.461,51,196,450.821,2.703,5,0.433,0.68,1.0,0.807406963196491,0.6519858131725036,0.5031012267836338,0.5453532999794394,0.626961825783017
EOS-4-05328,Cc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1Cl,IVWLEKOQZCTYGK-UHFFFAOYSA-N,4,1,0.556,90,281,419.247,3.957,4,0.488,0.78,1.0,0.8673326022890823,0.9556061956000275,0.7254643273250634,0.8171389897882256,0.8413855287505996
EOS-4-05329,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)c(Cl)c3)n12,DLFZQXSAYOEETJ-UHFFFAOYSA-N,4,1,0.583,11,595,452.902,4.724,5,0.347,0.75,1.0,0.9175947501884724,0.9382667397710918,0.6862963470632581,0.7201528339387293,0.8155776677403879
EOS-4-05330,OCc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)c2)n1,HOSYNEYXLNZBDK-UHFFFAOYSA-N,4,1,0.551,35,509,443.442,2.896,5,0.409,0.7,1.0,0.8651052018367487,0.7771742855184703,0.4996401891577,0.4459684051812761,0.6469720204235488
EOS-4-05331,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)ccn2)ccn1,SGSJRDGEXIFCMH-UHFFFAOYSA-N,4,1,0.484,75,278,448.849,3.452,5,0.287,0.64,1.0,0.8403039544924954,0.798197519018573,0.5068621067781509,0.5185730930025358,0.6659841683229387
EOS-4-05332,COc1cc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)cn4)n23)ccc1-c1cscn1,OHSZZLKQBFTLGP-UHFFFAOYSA-N,4,1,0.371,85,257,465.489,4.416,5,0.367,0.61,1.0,0.47776883010074706,0.4694503461037626,0.7553543280104174,0.5322030703858543,0.5586941436501953
EOS-4-05333,COCc1cccc(-c2cncc3nnc(-c4ncncc4-c4ccc(F)c(F)c4)n23)n1,XGGSSZAEFLUXMM-UHFFFAOYSA-N,4,1,0.283,96,140,431.406,3.735,5,0.419,0.79,0.239,0.4234202590638065,0.44748475087382633,0.712476869302995,0.7174885203207456,0.5752175998903434
EOS-4-05334,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)ccc1F,VRYKNFAMJUYPSY-UHFFFAOYSA-N,4,1,0.375,0,21,430.418,3.844,5,0.493,0.85,0.997,0.2403707765060654,0.285150092522788,0.20657425810431088,0.5286991981358372,0.31519858131725037
EOS-4-05335,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2)nc1,HNUCYJHFKNUTLD-UHFFFAOYSA-N,4,1,0.414,54,251,418.367,3.417,5,0.437,0.72,1.0,0.6808820505791241,0.6138629977383319,0.4582362415187444,0.4861044479473648,0.5597714344458913
EOS-4-05336,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)ccc1-c1cccnn1,NEWANDBUOHPYSM-UHFFFAOYSA-N,4,1,0.545,72,22,424.399,3.233,5,0.422,0.69,1.0,0.7080220683983277,0.777182852443287,0.7334658351038311,0.7094613117675279,0.7320330169282434
EOS-4-05337,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)c(Cl)c3)n12,PVFNGIKKOPCUDC-UHFFFAOYSA-N,4,1,0.57,72,386,437.822,3.65,5,0.371,0.65,1.0,0.9216297717771229,0.8972911383729696,0.614968131039682,0.6406860393393188,0.7686437701322733
EOS-4-05338,Fc1cc(-c2cncs2)sc1NC(F)(F)c1cncc2nnc(-c3ccc(C(F)F)nc3)n12,HNQXABAJLMRTDS-UHFFFAOYSA-N,4,1,0.36,27,243,495.462,5.609,5,0.244,0.55,1.0,0.1708501816188061,0.27467274347200327,0.9649355767253787,0.9109211157562881,0.580344904393119
EOS-4-05339,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)c(F)c1,LKITUGVWOIZBIU-UHFFFAOYSA-N,4,1,0.424,54,251,404.34,3.109,5,0.45,0.79,1.0,0.6559951339867042,0.6088941813446646,0.5774792680419437,0.6144369817010485,0.6142013912685902
EOS-4-05340,Clc1cncc(Cl)c1COc1cncc2nnc(-c3cncc(-c4nccnn4)c3)n12,MCJGVIVYZWTBKT-UHFFFAOYSA-N,4,1,0.476,2,491,452.265,3.319,5,0.396,0.63,1.0,0.6098622438489479,0.6469655952299362,0.49609348228359945,0.5989051470084299,0.5879566170927284
EOS-4-05341,N#Cc1nc(COc2cncc3nnc(-c4cc(-c5cccnc5)ncn4)n23)ccc1F,XUSQBUWVGOQZGO-UHFFFAOYSA-N,4,1,0.442,46,238,425.387,2.628,5,0.417,0.57,0.992,0.590106915221712,0.5799808100884106,0.47539579192653003,0.43334932492632444,0.5197082105407442
EOS-4-05342,OCc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cccnc1,AFKYNVCRCUHAFP-UHFFFAOYSA-N,4,1,0.538,11,922,458.909,4.016,5,0.393,0.61,1.0,0.7764889315331369,0.7687529984236858,0.7382376122267151,0.7389058323624151,0.7555963436364883
EOS-4-05343,Fc1ccc(Cl)nc1COc1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,WPSFXNATDSBRNK-UHFFFAOYSA-N,4,1,0.512,97,22,438.875,4.681,5,0.371,0.69,1.0,0.8425741895689124,0.8623038174216983,0.7484065519840998,0.7744671372764033,0.8069379240627784
EOS-4-05344,COc1cc(-c2nnc3cncc(CNCc4ccc(F)c(F)c4)n23)ccc1-c1cccnn1,YWHLFLAJIQJIRM-UHFFFAOYSA-N,4,1,0.417,14,291,459.46,3.825,5,0.396,0.76,1.0,0.4652439860187787,0.5010451648276335,0.8161623603591255,0.7440117195531492,0.6316158076896717
EOS-4-05345,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cc2F)nn1,ASSHHZOCBQKQBV-UHFFFAOYSA-N,4,1,0.506,37,795,432.394,2.938,5,0.403,0.71,1.0,0.9058066616407374,0.8680693578233157,0.44028853402782536,0.46164587759577824,0.6689526077719141
EOS-4-05346,CC(F)c1ncc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1F,JJTHDLZOVACVLK-UHFFFAOYSA-N,4,1,0.575,90,281,400.364,3.512,4,0.461,0.68,1.0,0.8891696936467686,0.8925793297238024,0.8177900760742923,0.7279573024467137,0.8318741004728942
EOS-4-05347,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5cncnc5)n4)n23)cc1,HTPZXFLHVRIKPA-UHFFFAOYSA-N,4,1,0.605,15,215,438.426,3.276,5,0.397,0.7,1.0,0.9545867315468439,0.9584161469398944,0.653236584195737,0.6347063258172846,0.80023644712494
EOS-4-05348,Cc1nc(-c2cc(Cl)cc(-c3nnc4cncc(OCc5nccc(F)c5F)n34)c2)cs1,TZPSQZWNIUTPSF-UHFFFAOYSA-N,4,1,0.547,59,439,470.892,5.129,5,0.354,0.69,1.0,0.6294805016791173,0.7195617161263793,0.8233585772051264,0.8310345418408608,0.750858834212871
EOS-4-05349,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)c(F)c2)cs1,OQLGLJXEXDGLER-UHFFFAOYSA-N,4,1,0.446,4,526,455.425,4.01,5,0.37,0.73,1.0,0.7622849701871016,0.7900846412171887,0.6265077787677336,0.5931396066068124,0.693004249194709
EOS-4-05350,COc1cc(-c2nnc3cncc(OC4CCc5c(F)cccc54)n23)ccc1-c1cocn1,IDTQHNPDVUCJJC-UHFFFAOYSA-N,4,1,0.454,1,383,443.438,4.66,6,0.39,0.58,1.0,0.9203961346035228,0.759980467411418,0.8177986429991091,0.7467445685696662,0.811229953395929
EOS-4-05351,COc1nc(Cl)ccc1-c1cncc2nnc(-c3cnc(OC(F)F)cn3)n12,KUUOWLBYVFIIQM-UHFFFAOYSA-N,4,1,0.349,68,861,405.752,2.907,4,0.467,0.61,1.0,0.6560037009115208,0.710386539647728,0.6532451511205538,0.5960694948941128,0.6539262216434789
EOS-4-05352,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)c(F)c1,XGNRTLYQXODSCI-UHFFFAOYSA-N,4,1,0.419,0,999,442.281,4.796,5,0.493,0.89,1.0,0.45359296826811046,0.5993506270988965,0.812435748063875,0.9174833801658556,0.6957156808991843
EOS-4-05353,N#Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)nc1,CJOGYZJSZOWSDY-UHFFFAOYSA-N,4,1,0.477,24,786,440.854,3.747,5,0.379,0.74,1.0,0.8203173188952094,0.8650280995133987,0.7358817079021315,0.7279658693715304,0.7872982489205675
EOS-4-05354,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5ncsn5)c(F)c4)n23)n1,RXWDSBLWTWUSFD-UHFFFAOYSA-N,4,1,0.483,73,82,442.386,3.096,5,0.383,0.63,1.0,0.7533325337536838,0.7559625796724008,0.5137927489548352,0.5252038928106367,0.6370729387978892
EOS-4-05355,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)c(F)c1,PWAGLMPNRCANJV-UHFFFAOYSA-N,4,1,0.561,43,521,418.407,4.049,5,0.431,0.73,1.0,0.814988691659242,0.7241364539784799,0.8885014735110685,0.8716503323966829,0.8248192378863684
EOS-4-05356,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)nc4)n23)cc1F,ZIWPEPNELJRSFK-UHFFFAOYSA-N,4,1,0.337,96,914,446.377,2.813,5,0.436,0.79,1.0,0.5000599684737167,0.41163217051607154,0.527516962511137,0.42078164622027275,0.4649976869302995
EOS-4-05357,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccc(Cl)n5)nc4)n23)cc1F,VWTNYJPRVMSCTC-UHFFFAOYSA-N,4,1,0.327,96,648,462.832,3.327,5,0.393,0.73,1.0,0.4726458090603797,0.4296569803303406,0.5307723939414708,0.4710437941196628,0.47602974436296347
EOS-4-05358,Fc1ccnc(CCOc2cncc3nnc(-c4ncccc4-c4ccccn4)n23)c1F,NCCCIHXQHOXCRI-UHFFFAOYSA-N,4,1,0.446,11,699,431.406,3.543,5,0.406,0.67,0.967,0.6987355218970598,0.6274073058734837,0.4893770132273319,0.5287077650606539,0.5860569015146323
EOS-4-05359,Fc1nc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,QHYYKIUGZITUTK-UHFFFAOYSA-N,4,1,0.542,58,28,437.822,3.65,5,0.371,0.63,1.0,0.8559814269069974,0.7857583441847714,0.4926667123569324,0.5084298540196012,0.6607090843670756
EOS-4-05360,Fc1cc(-c2ccc(-c3nnc4cncc(COc5ccncc5Cl)n34)nn2)ccn1,QAXXASWRYXFFRN-UHFFFAOYSA-N,4,1,0.33,54,920,434.822,3.41,5,0.387,0.73,1.0,0.5149492838050853,0.49156157905558223,0.5868686176410116,0.6318535398533343,0.5563082550887534
EOS-4-05361,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)ccn1,WVKNIJOIXXJORF-UHFFFAOYSA-N,4,1,0.588,72,386,437.822,3.65,5,0.371,0.71,1.0,0.9256048248920568,0.8995014049756699,0.662009115208005,0.67518504557604,0.7905750976629429
EOS-4-05362,Cc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ncccc1F,TVOFDOBRSJMHPS-UHFFFAOYSA-N,4,1,0.367,14,920,431.406,3.809,5,0.391,0.68,1.0,0.5615105201836749,0.5746521828524432,0.6119011719553149,0.5869200191899115,0.5837459735453361
EOS-4-05364,Fc1cc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cnc1-n1cncn1,HBZIARYZPQVARC-UHFFFAOYSA-N,4,1,0.348,85,243,438.377,2.851,5,0.431,0.68,0.94,0.1162960043862655,0.17312041669522307,0.5408642313755054,0.4489925296415599,0.3198182955246385
EOS-4-05365,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)c(Cl)c3)n12,TYYCRLKVQPQSTB-UHFFFAOYSA-N,4,1,0.565,37,161,437.822,3.65,5,0.396,0.65,1.0,0.8908916455349187,0.8650366664382153,0.6699078198889726,0.6928414776231924,0.7796694023713246
EOS-4-05366,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)cnc1-n1ccnc1,DMTWWXDTCWVCRF-UHFFFAOYSA-N,4,1,0.527,65,76,436.838,3.181,5,0.377,0.63,1.0,0.5615190871084915,0.7057432663970941,0.5174765266260023,0.5483774244397231,0.5832790761428278
EOS-4-05367,N#Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)ncn2)cn1,SBYXZWREZHXNGG-UHFFFAOYSA-N,4,1,0.484,7,633,466.852,3.014,5,0.377,0.59,1.0,0.7140103488451786,0.9147505311493387,0.6670978685491056,0.6548814337605373,0.73768504557604
EOS-4-05368,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc2C#N)cn1,CVYRWLFNGQTSPQ-UHFFFAOYSA-N,4,1,0.684,43,623,443.417,3.921,5,0.409,0.64,1.0,0.8098742375436914,0.7813977794530875,0.9452830511959427,0.9206788431224727,0.8643084778287986
EOS-4-05369,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)nc4F)n23)nn1,UCURVLJEKRSKRT-UHFFFAOYSA-N,4,1,0.467,58,602,451.372,2.472,5,0.359,0.59,0.959,0.8149972585840587,0.8680779247481324,0.3517664998971969,0.3894010006168186,0.6060606709615516
EOS-4-05370,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5nc(Cl)ncc5F)n34)cc2F)cn1,OILCBLKGUHRHPM-UHFFFAOYSA-N,4,1,0.472,73,526,454.828,3.492,5,0.375,0.64,1.0,0.6471283668014529,0.7057518333219107,0.709846823384278,0.7036186690425604,0.6915864231375505
EOS-4-05371,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)c(Cl)n1,MWXJPZQGDGWHPH-UHFFFAOYSA-N,4,1,0.453,58,262,467.827,2.986,5,0.347,0.64,1.0,0.8125042834624083,0.8593910629840312,0.2348536769241313,0.3187410047289425,0.5563725070248784
EOS-4-05372,Fc1cc(F)nc(COc2cncc3nnc(-c4cc(-c5nccs5)ncc4F)n23)c1,ODRYLZUNHSCZMR-UHFFFAOYSA-N,4,1,0.506,24,912,441.398,3.701,5,0.384,0.68,1.0,0.6836920019189912,0.7381005414296484,0.6354002467274347,0.6465115482146528,0.6759260845726818
EOS-4-05373,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)n1,DSZRRIYCJBTPMX-UHFFFAOYSA-N,4,1,0.512,20,279,436.447,4.21,5,0.397,0.7,1.0,0.8074155301213076,0.8434394489753958,0.6620176821328216,0.6955229250908094,0.7520988965800836
EOS-4-05374,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncs5)c4)n23)ccn1,NDHBFQROIJTNLY-UHFFFAOYSA-N,4,1,0.612,35,352,436.447,4.21,5,0.371,0.71,1.0,0.9190082927832225,0.9066376533479542,0.7978976766499897,0.7815262833253376,0.8512674765266259
EOS-4-05375,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5cnsc5)nc4F)n23)n1,IACYZIXEDVOVTR-UHFFFAOYSA-N,4,1,0.44,73,143,442.386,3.096,5,0.302,0.58,1.0,0.5615276540333082,0.6469741621547529,0.48938558015214856,0.4861130148721815,0.5460001028030979
EOS-4-05376,Cc1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)n4)n23)cc1F,VIEBINWVFCTKIW-UHFFFAOYSA-N,4,1,0.566,90,281,401.804,4.048,4,0.472,0.76,1.0,0.966965937906929,0.9635905695291618,0.8750856692481667,0.8884757727366185,0.9235294873552189
EOS-4-05377,Fc1cnc(Oc2cncc3nnc(-c4cncc(-c5cnsc5)c4)n23)c(Cl)c1,KOFHPNPHVYKGRE-UHFFFAOYSA-N,4,1,0.381,2,419,425.836,4.29,5,0.424,0.67,1.0,0.5986224384894798,0.6041138372969639,0.672529298882873,0.7094698786923446,0.6461838633404153
EOS-4-05378,Fc1cc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6cncnc6)cn5)n34)cc2)ccn1,KJQGRJRDOWOVGQ-UHFFFAOYSA-N,4,1,0.321,42,171,447.437,3.906,6,0.375,0.67,1.0,0.3070814200534576,0.43867795216229183,0.6643221849085053,0.6664039476389555,0.5191213761908026
EOS-4-05379,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccc(-c4ccsc4)nc3)n12,JRLPPJSKSHXBLC-UHFFFAOYSA-N,4,1,0.494,2,422,438.875,4.681,5,0.396,0.78,1.0,0.6747138647111233,0.7599890343362347,0.717479953395929,0.7569477760263176,0.7272826571174011
EOS-4-05380,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cnnc(F)c1,GYORGSOOUFMLNQ-UHFFFAOYSA-N,4,1,0.516,72,729,461.432,3.552,5,0.339,0.55,1.0,0.9134483585772051,0.8399098759509287,0.764443835240902,0.6576399835515043,0.793860513330135
EOS-4-05381,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)F)nc5)n34)cc2Cl)n1,MBLWXFRAIOVWGI-UHFFFAOYSA-N,4,1,0.558,27,214,467.867,4.757,5,0.358,0.64,1.0,0.665564389006922,0.7381091083544651,0.904735796038654,0.8568638201631142,0.7913182783907888
EOS-4-05382,CC(C)(F)c1ncc(COc2cncc3nnc(-c4ccc(-c5ccc(Cl)cn5)nc4)n23)cn1,SENGIPTVVFTAGL-UHFFFAOYSA-N,4,1,0.471,55,283,476.903,4.475,5,0.353,0.66,1.0,0.8695343019669659,0.8468490850524296,0.517485093550819,0.3797118086491673,0.6533950723048454
EOS-4-05383,COc1cc(-c2nnc3cncc(COc4ccncc4F)n23)ccc1-c1cncnc1,JXRFVCDIBKJEJD-UHFFFAOYSA-N,4,1,0.386,14,767,429.415,3.37,5,0.405,0.69,1.0,0.6868017956274416,0.5559077513535742,0.7149184428757454,0.5839815639777945,0.6354023884586388
EOS-4-05384,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)cc1F,FVNSFFSPQBMENL-UHFFFAOYSA-N,4,1,0.495,87,143,470.892,4.863,5,0.33,0.67,1.0,0.812512850387225,0.8765506133918168,0.7669025426632856,0.8062675621958741,0.8155583921595504
EOS-4-05385,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c1,QJCYWWGGFJLAPP-UHFFFAOYSA-N,4,1,0.593,47,164,405.368,3.434,5,0.482,0.64,1.0,0.9281320677129737,0.8102254814611747,0.8059934206017408,0.8083407580015077,0.8381729319443493
EOS-4-05386,Clc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5Cl)n34)ccn2)nc1,DLTOEVNLBKUFLP-UHFFFAOYSA-N,4,1,0.547,75,265,498.761,5.225,5,0.317,0.63,1.0,0.8583715989308478,0.8434480159002125,0.8178072099239257,0.8858542937427181,0.851370279624426
EOS-4-05387,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,BRZCCRBTTHEULH-UHFFFAOYSA-N,4,1,0.522,87,262,448.849,3.452,5,0.389,0.67,1.0,0.8282502912754438,0.8972997052977864,0.41807449797820573,0.4646357343567953,0.6520650572270578
EOS-4-05388,CNC(=O)Nc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,GSDCPJVYICOIQC-UHFFFAOYSA-N,4,1,0.667,48,17,408.849,3.775,4,0.524,0.83,1.0,0.9339661435131246,0.8330563360975944,0.5477777397025564,0.4333578918511411,0.6870395277911041
EOS-4-05389,N#Cc1cc(COc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4F)n23)cnc1F,YRGHJFHBVKIGMV-UHFFFAOYSA-N,4,1,0.462,16,772,431.366,2.7,5,0.42,0.68,1.0,0.7533411006785005,0.7334487012541978,0.8080923171818244,0.7697381947776026,0.7661550784730314
EOS-4-05390,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5nc(C(F)(F)F)no5)n34)cc2)nn1,SZVZZDBGEJXOIS-UHFFFAOYSA-N,4,1,0.467,27,343,455.36,2.933,5,0.39,0.63,1.0,0.6531080803234871,0.6616750051401549,0.4327582071139744,0.27008087177026935,0.5044055410869714
EOS-4-05391,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,OBCRZEZFFQLCCP-UHFFFAOYSA-N,4,1,0.847,90,948,394.797,3.472,4,0.515,0.81,1.0,0.9835343705023645,0.982412103351381,0.9002895620588034,0.9016602700294702,0.9419740764855047
EOS-4-05392,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncc6nccn6n5)cc4F)n23)ccn1,UNXHGLIUHFSZJD-UHFFFAOYSA-N,4,1,0.533,35,626,471.431,3.191,6,0.341,0.62,1.0,0.8651137687615653,0.8399184428757454,0.5376430676444384,0.5483859913645398,0.6977653176615722
EOS-4-05393,CCn1c(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc2ccc(=NC)[nH]c21,ZUSHWQPZHGRDAP-UHFFFAOYSA-N,4,1,0.437,61,121,436.426,3.288,5,0.456,0.55,0.135,0.22376807621136316,0.23356007127681447,0.45485230621616063,0.4270869028853403,0.33481683914741966
EOS-4-05394,C=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)cc1F,VXHDXSSCOFPUMC-UHFFFAOYSA-N,4,1,0.309,0,129,464.451,3.958,5,0.451,0.73,0.999,0.35830306353231445,0.40674045644575424,0.6265163456925502,0.6230039065177164,0.5036409430470838
EOS-4-05395,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1ncccn1,QGIJZIQYEHIYQD-UHFFFAOYSA-N,4,1,0.516,35,300,477.887,4.066,5,0.323,0.62,1.0,0.9492067027619766,0.8735093550818998,0.6643307518333219,0.5899869782742787,0.7692584469878693
EOS-4-05396,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,AXPBMDFPPBDJFD-UHFFFAOYSA-N,4,1,0.529,35,143,455.425,3.744,5,0.36,0.53,1.0,0.6778836268932904,0.7687615653485025,0.7098553903090946,0.692850044548009,0.7123376567747242
EOS-4-05397,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1F,CMOGIVZFCSENPQ-UHFFFAOYSA-N,4,1,0.456,36,404,439.361,2.373,5,0.384,0.65,1.0,0.6655729559317387,0.6909139195394421,0.45109999314646015,0.45535775478034407,0.5657361558494962
EOS-4-05398,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ccccn5)ncn4)n23)nc1Cl,PUBPLDQVHFOYES-UHFFFAOYSA-N,4,1,0.419,46,726,435.81,2.805,5,0.384,0.61,0.998,0.5702830511959427,0.5418579946542389,0.2560396819957508,0.31260708656020836,0.42019695360153525
EOS-4-05399,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)cc3)n12,PEMIKTLANIETCU-UHFFFAOYSA-N,4,1,0.554,72,889,413.416,3.404,5,0.421,0.75,1.0,0.9522822287711603,0.9126944691933384,0.6294719347543006,0.6049533959289973,0.7748505071619491
EOS-4-05400,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(F)c(F)c4F)n23)cc1F,VUQVLSVDPMRINN-UHFFFAOYSA-N,4,1,0.367,23,188,427.361,3.907,5,0.396,0.86,1.0,0.3744088821876499,0.5190871084915358,0.877501542046467,0.922812007401823,0.673452385031869
EOS-4-05401,N#Cc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1Cl,DXPDQHZENSCZIX-UHFFFAOYSA-N,4,1,0.556,90,636,412.24,3.381,4,0.495,0.74,1.0,0.9339747104379412,0.9661606469741622,0.7073024467137277,0.797657802755123,0.8512739017202384
EOS-4-05402,COc1cc(-c2nnc3cncc(OCc4cccnc4F)n23)ccc1-c1ccsc1,PVOZJIJMJOVBTG-UHFFFAOYSA-N,4,1,0.488,97,103,433.468,4.642,5,0.363,0.7,1.0,0.9149304365704887,0.7599976012610513,0.7955417723254061,0.6928586114728257,0.790832105407443
EOS-4-05403,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ccc(Cl)cn5)c4)n23)c1,WZUJONDJFLTUHH-UHFFFAOYSA-N,4,1,0.528,75,583,447.861,4.057,5,0.387,0.62,1.0,0.8471917620450963,0.8710249468850662,0.6354088136522514,0.6842060174079913,0.7594578849976013
EOS-4-05404,Fc1ncncc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3F)n12,XKFARMFFRWOQHZ-UHFFFAOYSA-N,4,1,0.494,65,143,422.355,2.531,5,0.3,0.65,1.0,0.82556027688301,0.6712528270851895,0.3892896305942019,0.3699540812829827,0.564014203961346
EOS-4-05405,CC(F)(F)C#Cc1nnc(COc2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)s1,UUUSKSXXXSHVMP-UHFFFAOYSA-N,4,1,0.462,66,12,459.413,2.466,4,0.455,0.62,0.974,0.4580820368720444,0.46060071276814474,0.6265249126173669,0.4616544445205949,0.5017155266945377
EOS-4-05406,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccc(F)nn1,YZFBKTZNCUSLGD-UHFFFAOYSA-N,4,1,0.533,72,925,461.432,3.552,5,0.339,0.68,1.0,0.9256133918168734,0.839927009800562,0.6918220135700089,0.5839901309026112,0.7603381365225139
EOS-4-05407,Cc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1cncc(F)n1,IWSLMJSIWVFIRT-UHFFFAOYSA-N,4,1,0.411,46,223,450.384,3.343,5,0.376,0.61,0.994,0.6044479473648139,0.6469827290795696,0.5964892742101295,0.5680642176684257,0.6039960420807347
EOS-4-05408,Cc1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)cc1CC#N,XAGHDXCZRFBQMY-UHFFFAOYSA-N,4,1,0.378,74,274,422.427,3.824,5,0.433,0.64,0.999,0.34683195120279625,0.4116407374408882,0.7508138578575835,0.695531492015626,0.5512045096292235
EOS-4-05409,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)c(F)n1,BHAOVJIUYDPOOR-UHFFFAOYSA-N,4,1,0.489,59,910,453.84,4.097,5,0.373,0.66,1.0,0.7906072236310054,0.7642639298197519,0.8438335275169625,0.8466863134809129,0.8113477486121582
EOS-4-05410,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)n1,SXAHFEWLCGGZMW-UHFFFAOYSA-N,4,1,0.466,73,196,448.849,3.718,5,0.4,0.7,1.0,0.907442944280721,0.8765591803166335,0.4511085600712768,0.4585617846617778,0.6734181173326023
EOS-4-05412,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5csnn5)nc4F)n23)c1,MSFSVCAVMYCQCI-UHFFFAOYSA-N,4,1,0.5,34,389,441.398,3.701,5,0.384,0.67,1.0,0.6071722294565143,0.6760246042080734,0.7572733191693509,0.7861524227263381,0.7066556438900693
EOS-4-05413,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6cccnc6)cc5)n34)nc2)cn1,MSRGCZNERFUSLQ-UHFFFAOYSA-N,4,1,0.347,42,106,447.437,3.906,6,0.4,0.81,1.0,0.25119936947433347,0.3831471455006511,0.5307809608662875,0.5550938934959907,0.43005534233431564
EOS-4-05414,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc5nc-5ncc(F)cn4)n23)cc1F,GTEWUSXUMRNXKH-UHFFFAOYSA-N,4,1,0.364,78,792,431.366,2.147,5,0.679,0.58,0.0,0.21013809882804468,0.26429819751901856,0.05193269823864026,0.014109725173051882,0.13511967993968885
EOS-4-05415,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)ccc1F,YYXSIIKJACEPFO-UHFFFAOYSA-N,4,1,0.478,4,702,448.805,3.479,5,0.371,0.62,1.0,0.7171030087039956,0.7642724967445685,0.6179751216503324,0.6081659927352477,0.6768791549585361
EOS-4-05416,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccnc(-c4cnco4)c3)n12,HIVRZZRMKDKVLB-UHFFFAOYSA-N,4,1,0.494,75,183,407.34,3.094,5,0.41,0.69,1.0,0.8518864368446303,0.5799893770132273,0.6755448564183401,0.6286837776711671,0.6840261119868412
EOS-4-05417,Cc1cc(C(F)(F)F)nnc1-c1nnc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1C,SJLPJHFRROZBHU-UHFFFAOYSA-N,4,1,0.37,66,476,485.861,3.948,5,0.38,0.64,1.0,0.3125556850113083,0.5993591940237133,0.5206377218833528,0.5584264272496745,0.49774475704201226
EOS-4-05418,COc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)ccn1,JVMCEJNCUJVPHB-UHFFFAOYSA-N,4,1,0.62,90,636,406.833,3.341,4,0.484,0.72,1.0,0.9409310533890755,0.9594184771434446,0.7784593242409704,0.7009971900486601,0.8449515112055376
EOS-4-05419,CN(C)c1ncc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)n1,LXUWRLILHGEACZ-UHFFFAOYSA-N,4,1,0.452,73,82,461.436,2.962,5,0.377,0.64,1.0,0.5673531629086424,0.6186433417860325,0.20658282502912753,0.15081214447262012,0.3858478685491056
EOS-4-05420,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)cc4)n23)ccc1F,WITHKBKCORMOKH-UHFFFAOYSA-N,4,1,0.636,34,521,418.407,4.049,5,0.431,0.72,1.0,0.8759252278802001,0.7334572681790145,0.9025512302104036,0.8842779795764513,0.8490529264615174
EOS-4-05421,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccn2)cc1Cl,SNHMDJJZKZYSSB-UHFFFAOYSA-N,4,1,0.516,75,496,461.888,4.366,5,0.347,0.68,1.0,0.8779298882873003,0.8532143101912137,0.7306644506887807,0.7122626961825783,0.7935178363374682
EOS-4-05422,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)c(F)c2)nn1,YFUJFEMAQYIGAI-UHFFFAOYSA-N,4,1,0.5,16,772,432.394,3.204,5,0.417,0.62,1.0,0.8203258858200261,0.7729422246590364,0.5677815091494757,0.5483945582893565,0.6773610444794737
EOS-4-05423,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)c1,HRKHQTAHTDDPFX-UHFFFAOYSA-N,4,1,0.489,34,712,441.398,3.701,5,0.384,0.72,1.0,0.504951682544034,0.6371650332396683,0.7737046809677198,0.7885597285998218,0.6760952813378109
EOS-4-05424,Cc1cc(-c2cnc(-c3nnc4cncc(-c5cc(C)c(F)cn5)n34)cc2F)ccn1,PXTKAMOXJASPEB-UHFFFAOYSA-N,4,1,0.287,50,155,415.407,4.205,5,0.439,0.58,1.0,0.3070899869782743,0.3158111164416421,0.7808152285655541,0.7543776985813172,0.5395235076416969
EOS-4-05425,COc1ncc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1-c1ccc(Cl)cc1,YSCUUINSEYDHPK-UHFFFAOYSA-N,4,1,0.62,35,393,458.909,4.532,5,0.354,0.76,1.0,0.8472003289699129,0.895012336371736,0.6863049139880748,0.6406946062641354,0.7673030463984649
EOS-4-05426,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cc(F)cc4F)n23)cc1Cl,MPSOZTNECXGKGH-UHFFFAOYSA-N,4,1,0.537,34,607,471.83,4.237,5,0.381,0.65,1.0,0.7233911315194298,0.7982060859433897,0.9036649304365705,0.9141594133369886,0.8348553903090947
EOS-4-05427,Cc1nc(-c2nccc(C(F)F)n2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,YGORHPZNXMSBIF-UHFFFAOYSA-N,4,1,0.464,65,904,478.438,4.045,5,0.345,0.63,1.0,0.8583801658556645,0.8710335138098828,0.6354173805770681,0.5385768624494551,0.7258519806730177
EOS-4-05428,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(F)c(C(F)F)c4)n23)cc1F,NCKFRXDGSAKPJS-UHFFFAOYSA-N,4,1,0.351,0,188,441.388,4.566,5,0.461,0.9,1.0,0.4011205537660201,0.5374288945240216,0.9231461174696731,0.9405455417723254,0.7005602768830101
EOS-4-05429,Fc1cncc(-c2cnnc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)c2)c1,BGZXEGUVYMGNRC-UHFFFAOYSA-N,4,1,0.43,46,511,436.357,3.035,5,0.387,0.64,1.0,0.47265437598519633,0.5190956754163526,0.7281029401685971,0.7518076211363169,0.6179151531766157
EOS-4-05430,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)n1,UCFXEDRNAHTLFG-UHFFFAOYSA-N,4,1,0.456,24,28,442.386,3.096,5,0.302,0.63,1.0,0.6499982866150367,0.719570283051196,0.43659618943184153,0.43643341786032486,0.5606495442395998
EOS-4-05431,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)nc1,LYNUHKYAAKZELZ-UHFFFAOYSA-N,4,1,0.536,37,795,437.822,3.65,5,0.396,0.65,1.0,0.7735761770954698,0.7642810636693852,0.4688163936673292,0.535381399492838,0.6355137584812556
EOS-4-05432,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnoc5)cc4F)n23)ccn1,YHHZXAGUHIOZLO-UHFFFAOYSA-N,4,1,0.605,35,352,420.379,3.741,5,0.387,0.65,1.0,0.840312521417312,0.7515334795421835,0.8233671441299432,0.7998595024330066,0.8037681618806114
EOS-4-05433,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc(F)n1,BEIOFINLASNWPU-UHFFFAOYSA-N,4,1,0.603,11,201,436.447,4.21,5,0.371,0.65,1.0,0.935139812213008,0.9041361113014872,0.7484151189089164,0.714875608251662,0.8256416626687685
EOS-4-05435,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ncco4)nc3F)n12,KOFCGTOXSXUDSL-UHFFFAOYSA-N,4,1,0.53,58,28,421.367,3.136,5,0.385,0.62,1.0,0.7989856761017066,0.6909224864642588,0.447441916249743,0.4237543691316565,0.5902761119868412
EOS-4-05438,N#Cc1cc(-c2cccs2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,HCAPSJWWIIQKRU-UHFFFAOYSA-N,4,1,0.539,35,161,442.479,4.547,5,0.383,0.64,1.0,0.940194297854842,0.9167209238571722,0.8233757110547598,0.8083493249263245,0.8721600644232745
EOS-4-05439,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NOC5CC5)cc4F)n23)cc1F,KLAHTLBLNMSOQB-UHFFFAOYSA-N,4,1,0.384,0,999,450.405,2.659,5,0.435,0.82,1.0,0.5075731615379343,0.3542937427181139,0.547786306627373,0.5516756904941402,0.4903322253443904
EOS-4-05440,Cc1nc(-c2cccnn2)ccc1Cc1cncc2nnc(-c3ccc(Cl)c(Cl)c3)n12,ZHZJMJPKYTZYHG-UHFFFAOYSA-N,4,1,0.391,14,81,448.317,4.849,5,0.391,0.77,1.0,0.39675998903433624,0.5374374614488383,0.7073110136385443,0.7861609896511548,0.6069173634432183
EOS-4-05441,Fc1cnccc1COc1cncc2nnc(-c3cc(Cl)nc(-c4cscn4)c3)n12,ZNHZREFEAHTAEF-UHFFFAOYSA-N,4,1,0.477,24,912,439.863,4.076,5,0.381,0.71,0.981,0.7562624220409842,0.7195788499760126,0.6591391953944212,0.6811476252484409,0.7040320231649647
EOS-4-05442,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccns4)cc3F)n12,CPMHWZBFYGCSAU-UHFFFAOYSA-N,4,1,0.58,35,161,436.447,4.21,5,0.397,0.68,1.0,0.8230758686861764,0.8399355767253787,0.7784678911657871,0.7768144746761703,0.8045734528133781
EOS-4-05443,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4Cl)n23)nc1,ZSDOSUUSMSSMLJ-UHFFFAOYSA-N,4,1,0.529,37,795,448.849,3.452,5,0.389,0.68,1.0,0.8353351380988281,0.8950209032965527,0.43276677403879105,0.5154290315948187,0.6696379617572477
EOS-4-05444,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cccs1,ZWUBDLIKVCFNSJ-UHFFFAOYSA-N,4,1,0.551,35,161,442.479,4.547,5,0.383,0.72,1.0,0.9537557398396271,0.9354225207319581,0.8341272016996779,0.8152028647796586,0.8846270817627304
EOS-4-05445,CCc1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ncccc1F,KWXFDBQMFFGILM-UHFFFAOYSA-N,4,1,0.473,44,348,444.445,4.668,5,0.379,0.79,0.999,0.6716811733260228,0.6760331711328902,0.6620262490576383,0.6782263038859571,0.671991724350627
EOS-4-05446,Cc1cnc(-c2ccc(-c3nnc4cncc(OCC5CCCCO5)n34)cc2F)nc1,BRQCHULTQFACOI-UHFFFAOYSA-N,4,1,0.489,78,548,420.448,3.644,5,0.487,0.69,1.0,0.9009834829689535,0.82571448152971,0.11566205194983209,0.25212459735453363,0.5236211534507573
EOS-4-05447,N#Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)ccc1F,XIDYQIIGHQPQQF-UHFFFAOYSA-N,4,1,0.523,4,702,447.43,4.039,5,0.401,0.8,1.0,0.7935456788431224,0.8434565828250291,0.7572818860941677,0.7308015214858474,0.7812714173120416
EOS-4-05448,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cc5F)n34)cn2)cn1,GEISOUOWIJLPOA-UHFFFAOYSA-N,4,1,0.567,84,672,461.888,4.366,5,0.371,0.69,1.0,0.8630834075800151,0.9411623603591255,0.6971335069563429,0.6928671783976423,0.7985616133232813
EOS-4-05449,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cnccc5F)n34)cnn2)cn1,FBEZYFVQOUEWBS-UHFFFAOYSA-N,4,1,0.468,65,778,433.382,2.333,5,0.398,0.58,0.882,0.7171115756288123,0.6712613940100062,0.4289544924953739,0.44266157220204233,0.5649972585840587
EOS-4-05450,O=C(O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cc1,VESBHICFEIGJQY-UHFFFAOYSA-N,4,1,0.675,90,385,430.251,3.813,4,0.464,0.79,1.0,0.704818038516894,0.2851586594476047,0.6419368103625522,0.6112586525940649,0.560793040230279
EOS-4-05451,Fc1ccnc(Cl)c1COc1cncc2nnc(-c3cncc(-c4cscn4)c3)n12,HNYNEHBXBNYYJI-UHFFFAOYSA-N,4,1,0.438,2,422,439.863,4.076,5,0.381,0.6,1.0,0.6926615722020424,0.6566804879720376,0.6699163868137893,0.7010057569734768,0.6800660509903365
EOS-4-05452,Cc1ncncc1-c1cc(-c2nnc3cncc(COc4ccncc4)n23)ccc1F,NCYXNSCLBIOLCU-UHFFFAOYSA-N,4,1,0.404,14,767,413.416,3.67,5,0.434,0.73,0.998,0.5869885545884449,0.637173600164485,0.6971420738811597,0.6258395586320334,0.6367859468165308
EOS-4-05453,Cc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nc2)cn1,DGAUSQCDJSDTBR-UHFFFAOYSA-N,4,1,0.341,50,261,425.843,3.539,5,0.43,0.8,1.0,0.32484922212322664,0.5098176958399013,0.5677900760742923,0.5989137139332465,0.5003426769926667
EOS-4-05454,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)c(-c5nccs5)c4)n23)ccn1,LVWCHOAWHAWRJH-UHFFFAOYSA-N,4,1,0.59,11,595,452.902,4.724,5,0.347,0.7,1.0,0.9329295456103077,0.9652696867932287,0.72547289424988,0.7569563429511342,0.8451571174011377
EOS-4-05455,Cc1nc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1cnco1,STCJCUIOXTUUDW-UHFFFAOYSA-N,4,1,0.449,59,109,420.379,4.007,5,0.424,0.74,1.0,0.7474813241038997,0.632299019943801,0.7737132478925365,0.7364128572407649,0.7224766122952506
EOS-4-05456,Clc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,AZTLSKCNFDPHBK-UHFFFAOYSA-N,4,1,0.612,11,0,434.912,4.585,5,0.389,0.76,1.0,0.8021554382838736,0.868086491672949,0.6149766979644986,0.652105750119937,0.7343310945103145
EOS-4-05457,N#Cc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)n1,QJBUZVARIVUAEQ-UHFFFAOYSA-N,4,1,0.457,7,420,426.375,2.023,5,0.41,0.58,1.0,0.6808906175039408,0.6371821670893016,0.19593413748200947,0.1802994996915907,0.4235766054417106
EOS-4-05458,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1Cl,PTXOKSISIONSOA-UHFFFAOYSA-N,4,1,0.593,35,352,452.902,4.724,5,0.347,0.61,1.0,0.8946353916798027,0.9338547734905078,0.7760263175930368,0.7885682955246385,0.8482711945719965
EOS-4-05459,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)c(F)c1,IIXISPOCJAEYDJ-UHFFFAOYSA-N,4,1,0.566,26,559,451.412,3.626,5,0.392,0.71,1.0,0.8926478651223357,0.7900932081420053,0.8373826331300116,0.8130097320265918,0.8332833596052361
EOS-4-05460,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(-c5nccs5)ncc4F)n23)n1,UMXAUMULCYLPFW-UHFFFAOYSA-N,4,1,0.461,73,199,442.386,3.096,5,0.383,0.6,1.0,0.7324720718250977,0.7471814817353163,0.41061270646288806,0.4237629360564732,0.5785072990199438
EOS-4-05461,Fc1cncc(Cl)c1COc1cncc2nnc(-c3cncc(-c4nnco4)c3)n12,JRHGYBQMLYQIEN-UHFFFAOYSA-N,4,1,0.459,2,980,424.783,3.003,5,0.419,0.69,1.0,0.6837005688438078,0.6186519087108492,0.557561167843191,0.5899955451990954,0.6124772976492359
EOS-4-05462,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cn1)N1CCC1,DNDHRGDXPFONJO-UHFFFAOYSA-N,4,1,0.433,66,345,439.401,3.095,5,0.444,0.73,1.0,0.19912960043862654,0.32995510931396066,0.057595435542457676,0.17467103008703996,0.19033779384552124
EOS-4-05463,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ncc(F)cc1F,QNBOQLHLIDCPOX-UHFFFAOYSA-N,4,1,0.473,72,224,481.85,4.163,5,0.356,0.6,1.0,0.7851072578987047,0.8141062984031252,0.7644524021657186,0.7279744362963471,0.7729100986909739
EOS-4-05465,N#Cc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3ccc(F)cn3)n12,SIRRJDGAFAMFBP-UHFFFAOYSA-N,4,1,0.5,4,22,424.399,3.233,5,0.422,0.71,1.0,0.7353933931875813,0.7642896305942019,0.7174885203207456,0.6928757453224591,0.727511822356247
EOS-4-05466,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(Cl)c4)n23)cc1F,JIUGBOQPJCOJSB-UHFFFAOYSA-N,4,1,0.417,0,682,438.85,2.97,4,0.51,0.89,1.0,0.42112432321293947,0.4343259543554246,0.6354259475018847,0.5516842574189569,0.5106401206223015
EOS-4-05467,Clc1cc(COc2cncc3nnc(-c4cccc(-c5cncs5)c4)n23)c(Cl)cn1,KNFQJGDNUKXFFV-UHFFFAOYSA-N,4,1,0.494,97,91,455.33,5.196,5,0.339,0.73,1.0,0.689757384689192,0.7008772531012268,0.8269738194777603,0.8636059899938319,0.7703036118155028
EOS-4-05468,N#Cc1ccc(-c2nnc3cncc(OCc4ncc(F)cn4)n23)cc1-c1ccnnc1,GPNVRPNOWPDXOQ-UHFFFAOYSA-N,4,1,0.477,51,196,425.387,2.628,5,0.417,0.71,1.0,0.8150058255088753,0.7814063463779042,0.5932766774038791,0.5647316839147419,0.6886051333013501
EOS-4-05469,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1Cl,GEHQYBXQZWJOGQ-UHFFFAOYSA-N,4,1,0.747,48,378,442.306,4.079,4,0.487,0.88,1.0,0.9058152285655541,0.7057604002467275,0.7644609690905353,0.7744757042012199,0.7876280755260092
EOS-4-05470,Fc1ccccc1-c1cnc(-c2nnc3cncc(-c4cn(C5CC5)nc4C(F)F)n23)cn1,LPWJSJOHZPUYJY-UHFFFAOYSA-N,4,1,0.333,50,243,448.412,4.523,6,0.393,0.67,0.995,0.06375505448564184,0.24428586114728257,0.42896305942019053,0.5989222808580632,0.33398156397779455
EOS-4-05471,Fc1cc(-c2cnnc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)ccn1,UTJRUUYXZGQKJF-UHFFFAOYSA-N,4,1,0.452,18,87,432.394,2.938,5,0.377,0.65,1.0,0.6440271400178192,0.5652799671030087,0.6294805016791173,0.6318621067781509,0.617662428894524
EOS-4-05472,Fc1ccc(CCOc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)nn1,CBOCBIVGAMGJJJ-UHFFFAOYSA-N,4,1,0.495,11,132,431.406,3.543,5,0.406,0.65,1.0,0.9256219587416901,0.9041446782263038,0.5998646425878966,0.6286923445959838,0.7645809060379686
EOS-4-05473,CCOCc1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)c4)n23)cn1,OEQGLBNPTYWBKR-UHFFFAOYSA-N,4,1,0.478,68,127,412.4,3.634,4,0.437,0.72,1.0,0.5332139675142211,0.59936776094853,0.7508224247824001,0.5744465766568433,0.6144626824754986
EOS-4-05474,Fc1cc(-c2nnco2)ccc1NCc1cncc2nnc(-c3ccc(C(F)F)nc3)n12,CYTSGAJUVMAEIV-UHFFFAOYSA-N,4,1,0.356,14,487,438.373,3.925,5,0.425,0.68,0.994,0.27468131039682,0.29045301898430537,0.7955503392502228,0.6982215064080598,0.5147265437598519
EOS-4-05476,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5nccc(C(F)(F)F)n5)n34)c(C)n2)o1,FOHCIAXMLMWZLN-UHFFFAOYSA-N,4,1,0.37,50,243,438.373,3.934,5,0.417,0.68,1.0,0.41195771365910494,0.4823264341032143,0.6834949626482077,0.47689500376944693,0.5136685285449935
EOS-4-05477,Fc1ccc(-n2cc(-c3cncc4nnc(-c5cnc(-c6cncnc6)c(F)c5)n34)nn2)c(F)c1,ZBQOTRDPWSSASJ-UHFFFAOYSA-N,4,1,0.281,10,872,472.394,3.308,6,0.384,0.67,0.998,0.0254951682544034,0.21843088205057912,0.6699249537386059,0.7389143992872319,0.4131913508327051
EOS-4-05478,N#Cc1cc(-c2ccnc(F)c2)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,DNGHFMNCXARJKU-UHFFFAOYSA-N,4,1,0.483,72,418,458.844,3.886,5,0.364,0.64,1.0,0.6655815228565554,0.772950791583853,0.8341357686244946,0.8449386608183127,0.779401685970804
EOS-4-05479,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c(F)n1,QUHKYUKGDZHIEB-UHFFFAOYSA-N,4,1,0.518,58,28,471.88,4.258,5,0.342,0.57,1.0,0.8230844356109931,0.9041532451511205,0.6149852648893154,0.6492786649304366,0.7478754026454664
EOS-4-05481,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)ccc1F,FAJMCWMXDSRNKN-UHFFFAOYSA-N,4,1,0.478,4,242,425.387,2.628,5,0.417,0.68,1.0,0.7413816736344322,0.8064817353162909,0.41062127338770477,0.3569323555616476,0.5788542594750189
EOS-4-05482,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1F,URYGHNPKXWLCIQ-UHFFFAOYSA-N,4,1,0.6,43,521,418.407,4.049,5,0.431,0.74,1.0,0.8978822561853197,0.7057689671715441,0.8956719895826194,0.8773045027756836,0.8441569289287918
EOS-4-05483,COc1cc(-c2nnc3cncc(CNCc4ccc(F)c(F)c4)n23)ccc1-c1cscn1,GKZVSPQKFNIXPN-UHFFFAOYSA-N,4,1,0.422,14,257,464.501,4.491,5,0.382,0.79,1.0,0.48988246179151534,0.4606092796929614,0.8341443355493112,0.7621478993900349,0.6366959941059557
EOS-4-05484,Fc1ccc(COc2cncc3nnc(-c4cnc(F)c(-c5ncsn5)c4)n23)c(F)c1,GSZBZTYQOCXEJL-UHFFFAOYSA-N,4,1,0.488,73,665,441.398,3.701,5,0.384,0.6,1.0,0.6323075868686177,0.695685696662326,0.764469536015352,0.7838907545747379,0.7190883935302584
EOS-4-05485,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)ccc1-c1nccs1,LMHONVXACCGYIM-UHFFFAOYSA-N,4,1,0.58,91,777,465.485,4.823,5,0.343,0.78,1.0,0.9409396203138921,0.8735179220067165,0.82507196216846,0.7415615790555822,0.8452727708861627
EOS-4-05486,Cn1ccnc1-c1c(F)ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c1Cl,WTXKENYSJBSAKX-UHFFFAOYSA-N,4,1,0.506,16,772,453.84,4.097,5,0.373,0.7,1.0,0.7706548557329861,0.7642981975190186,0.8103025837845247,0.8130182989514084,0.7895684839969845
EOS-4-05487,Cc1nc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1ncccn1,PSNUSGMEACEJMO-UHFFFAOYSA-N,4,1,0.394,46,242,432.394,3.204,5,0.39,0.71,1.0,0.809882804468508,0.6089027482694812,0.43660475635665824,0.4042474813241039,0.5649094476046879
EOS-4-05488,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccccc3Cl)n12,DFRPGMAIQWWHTG-UHFFFAOYSA-N,4,1,0.692,11,28,452.902,4.724,5,0.347,0.67,1.0,0.7989942430265232,0.8950294702213694,0.662034815982455,0.7201614008635461,0.7690549825234734
EOS-4-05490,Cc1ccnc(Oc2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)c(F)c2)n1,SWRGNTLYXBCBFN-UHFFFAOYSA-N,4,1,0.39,62,3,441.426,3.587,5,0.442,0.82,1.0,0.5200894386950861,0.4606178466177781,0.5575697347680076,0.41107532040298816,0.48733808512096505
EOS-4-05491,Cc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1cccs1,BEKVROONNINBMW-UHFFFAOYSA-N,4,1,0.416,13,110,421.432,5.294,5,0.394,0.76,0.999,0.6987440888218766,0.7195874169008293,0.8124443149886916,0.8083578918511412,0.7597834281406346
EOS-4-05492,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)n23)c(Cl)c1,LKBHKDFIAXHPTR-UHFFFAOYSA-N,4,1,0.47,0,21,462.872,3.595,5,0.461,0.94,1.0,0.1735915975601398,0.2643067644438352,0.2631502295935851,0.5584349941744912,0.3148708964430128
EOS-4-05493,FCCc1nc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccccn1,BFSXVXVIUQILPL-UHFFFAOYSA-N,4,1,0.489,44,267,461.888,4.388,5,0.355,0.7,0.559,0.6837091357686245,0.6760417380577068,0.4106298403125214,0.4739993831814132,0.5610950243300665
EOS-4-05494,N#Cc1cc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,LRSLVVHNIMTOQS-UHFFFAOYSA-N,4,1,0.586,15,632,438.426,3.276,5,0.397,0.76,1.0,0.95004626139401,0.9106212733877047,0.537651634569255,0.5118823247207183,0.727550373517922
EOS-4-05495,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(NC(=O)C5CCC5)cc4)n23)c(F)c1F,LZGFLQYQQMWUJZ-UHFFFAOYSA-N,4,1,0.382,0,129,448.433,3.574,5,0.484,0.81,1.0,0.19627681447467618,0.15704886573915428,0.22756322390514702,0.35694092248646425,0.23445745665136045
EOS-4-05496,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ncc5F)n34)cc2F)cs1,ZOJCEOQJQKPXAA-UHFFFAOYSA-N,4,1,0.54,88,684,468.464,4.657,5,0.338,0.7,1.0,0.8759337948050168,0.8896665752861352,0.8233842779795765,0.7885768624494551,0.8443903776300459
EOS-4-05497,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC)c(Cl)c4)n23)cc1F,GCIHQSQDRDSCFF-UHFFFAOYSA-N,4,1,0.417,0,682,438.85,2.97,4,0.51,0.87,1.0,0.4187769858131725,0.43433452128024125,0.6354345144267014,0.5516928243437735,0.5100597114659722
EOS-4-05498,Fc1ccc(-c2ncncc2-c2nnc3cncc(OCCc4cccnc4F)n23)nn1,BDCAQYBRERYHQX-UHFFFAOYSA-N,4,1,0.448,58,271,433.382,2.333,5,0.372,0.59,0.847,0.6958656020834761,0.6229182372695498,0.3072870262490576,0.3345555479405113,0.49015660338564876
EOS-4-05499,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCCc3ccccc3Cl)n12,HJELKSQNNQXOBK-UHFFFAOYSA-N,4,1,0.558,11,28,466.929,5.114,5,0.245,0.66,1.0,0.8175844698786924,0.895038037146186,0.5710626413542594,0.657648550476321,0.7353334247138646
EOS-4-05500,COc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1cccnc1,XANZMEUVKRWOHE-UHFFFAOYSA-N,4,1,0.522,35,103,460.444,4.157,5,0.36,0.73,1.0,0.9042389143992873,0.8434651497498458,0.7852957302446714,0.7148841751764786,0.8119709923925708
EOS-4-05501,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)cc4)n23)cc1F,NIGRLQFEBTVJOZ-UHFFFAOYSA-N,4,1,0.576,11,275,420.379,3.741,5,0.413,0.68,1.0,0.9190168597080393,0.7643067644438353,0.714927009800562,0.6722037557398396,0.767613597423069
EOS-4-05502,Cc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1ncc(F)cn1,DYUPGLZVYWNBCB-UHFFFAOYSA-N,4,1,0.415,46,775,450.384,3.343,5,0.376,0.61,0.999,0.6592077307929546,0.6519943800973202,0.5174936604756357,0.5018333219107669,0.5826322733191693
EOS-4-05503,CCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,IZLJBELYHLTXNV-UHFFFAOYSA-N,4,1,0.585,90,400,414.296,4.677,4,0.459,0.77,1.0,0.9162583099170721,0.9505260091837434,0.7760348845178535,0.8171475567130423,0.8649916900829278
EOS-4-05504,CCc1ncc(-c2ccc(-c3nnc4cncc(F)n34)c(N3CCC(F)(F)C3)n2)cn1,NMCSHZUMOWROGW-UHFFFAOYSA-N,4,1,0.419,68,455,426.406,3.19,5,0.495,0.75,1.0,0.18230416009869096,0.20857035158659448,0.057604002467274346,0.16647248303748885,0.15373774929751216
EOS-4-05505,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCCF)c(F)c4)n23)cc1F,JVWVGGIXLJYVFH-UHFFFAOYSA-N,4,1,0.379,0,682,440.385,2.535,4,0.478,0.82,1.0,0.3946953601535193,0.3592968268110479,0.6119097388801316,0.5484031252141731,0.478576262764718
EOS-4-05506,NC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCCF)c(F)c4)n23)cc1F,DXVDXMSBYSTNLQ-UHFFFAOYSA-N,4,1,0.379,0,682,440.385,2.535,4,0.478,0.82,1.0,0.39470392707833596,0.35930539373586456,0.6119183058049482,0.5484116921389898,0.47858482968953464
EOS-4-05507,Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccncn5)c4)n23)c(C)n1,PKMWCUQTQOOLOM-UHFFFAOYSA-N,4,1,0.506,4,253,427.443,3.978,5,0.419,0.75,1.0,0.9230090466726064,0.7729593585086697,0.6354430813515181,0.5287163319854705,0.7150319546295661
EOS-4-05508,Cc1nc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)ccc1F,PCCWPSCBZVISIJ-UHFFFAOYSA-N,4,1,0.632,23,86,401.804,4.048,4,0.505,0.8,1.0,0.9190254266328559,0.862312384346515,0.880182989514084,0.8897436776094853,0.887816119525735
EOS-4-05509,N#Cc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1ccnnc1,HDBOXOMZMQREED-UHFFFAOYSA-N,4,1,0.494,72,31,424.399,3.233,5,0.395,0.65,1.0,0.717120142553629,0.7471900486601329,0.7760434514426702,0.7364214241655815,0.7441937667055034
EOS-4-05510,Fc1cnc(-c2cc(-c3cncc4nnc(-c5cnc(-c6cncc(F)c6)cn5)n34)ncn2)nc1,MIOLZQRRLPIAPV-UHFFFAOYSA-N,4,1,0.256,86,513,467.403,2.836,6,0.381,0.63,0.906,0.272411075320403,0.2904615859091221,0.31481735316290865,0.37650777876773356,0.31354944829004183
EOS-4-05511,Fc1ncc(Cl)nc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,PDHCSYJXGKVMPP-UHFFFAOYSA-N,4,1,0.478,75,583,448.849,3.452,5,0.389,0.68,0.999,0.8074240970461243,0.7687701322733191,0.3072955931738743,0.3765163456925502,0.565001542046467
EOS-4-05512,COc1cc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)c(F)cc1-c1ccc(F)nn1,OZYFRACYVFKNOE-UHFFFAOYSA-N,4,1,0.457,37,795,480.41,3.086,5,0.347,0.59,1.0,0.7990028099513399,0.7515420464670002,0.5307895277911041,0.47400795010622987,0.6388355835789186
EOS-4-05513,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4cnccc4F)n23)cc1F,PEBXHJQXJASUBB-UHFFFAOYSA-N,4,1,0.543,90,133,442.401,2.785,4,0.451,0.8,1.0,0.5486772668083065,0.3448701254197793,0.5932852443286958,0.5422349393461723,0.5072668939757385
EOS-4-05514,FCc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncc5F)n34)c(F)n2)o1,RMSMTEHYSBHNKF-UHFFFAOYSA-N,4,1,0.438,58,223,474.79,3.611,5,0.34,0.55,0.992,0.7080306353231444,0.7334658351038311,0.49964875608251663,0.5584435610993078,0.6248971969022
EOS-4-05515,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)n1,NFKAXWKCCDHQRZ-UHFFFAOYSA-N,4,1,0.461,73,82,432.394,3.204,5,0.417,0.73,1.0,0.8738605989993832,0.8064903022411075,0.440297100952642,0.40777705434857103,0.632106264135426
EOS-4-05516,Cc1cc(-c2nnc3cncc(OCc4cccc(-c5ncc(F)cn5)n4)n23)ccc1Cl,FTQQCZQBVNMAAU-UHFFFAOYSA-N,4,1,0.511,73,82,447.861,4.323,5,0.396,0.76,1.0,0.807432663970941,0.8995099719004866,0.6354516482763347,0.6521143170447536,0.748627150298129
EOS-4-05517,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)cc1F,NCHWRURSDXGMRI-UHFFFAOYSA-N,4,1,0.576,11,275,420.379,3.741,5,0.413,0.72,1.0,0.9149390034953053,0.7643153313686519,0.7508309917072168,0.7201699677883627,0.7875638235898842
EOS-4-05518,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,CWJHCRHHDDMMQQ-UHFFFAOYSA-N,4,1,0.513,73,255,392.728,3.231,4,0.496,0.71,1.0,0.8098913713933247,0.889675142210952,0.8709735453361661,0.9016688369542869,0.8680522239736825
EOS-4-05519,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)c(F)n1,XOHZSZAGVKEWRM-UHFFFAOYSA-N,4,1,0.506,58,271,461.888,4.366,5,0.347,0.67,1.0,0.8798146117469673,0.9066462202727709,0.5868771845658283,0.5989308477828799,0.7430672160921115
EOS-4-05520,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,AYVUVONMOATMLQ-UHFFFAOYSA-N,4,1,0.463,87,143,470.892,4.863,5,0.33,0.62,1.0,0.7962699609348228,0.8593996299088479,0.7306730176135974,0.7861695565759715,0.7931280412583099
EOS-4-05522,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cccc(F)n5)nc4)n23)c(F)c1F,FPUGYAFLLOIDPC-UHFFFAOYSA-N,4,1,0.311,96,26,461.407,3.692,5,0.41,0.73,0.998,0.27468987732163663,0.40216571859365363,0.7914039476389555,0.7415701459803988,0.5524574223836611
EOS-4-05523,Cc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)cc(-c2ncc(F)cn2)n1,DZNIKELPAGZVLR-UHFFFAOYSA-N,4,1,0.5,73,775,432.394,3.204,5,0.417,0.58,1.0,0.7792474813241039,0.5852494688506613,0.4996573230073333,0.4680111027345624,0.5830413439791653
EOS-4-05524,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)nc(F)n4)n23)cc1F,SWJXOAIBADYAOJ-UHFFFAOYSA-N,4,1,0.333,50,155,449.356,2.222,5,0.412,0.64,0.999,0.2969124802960729,0.3005105887190734,0.41421081488588857,0.42079021314508946,0.35810602426153104
EOS-4-05525,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1-c1nnco1,OTKFKIMGQVTNGN-UHFFFAOYSA-N,4,1,0.565,37,386,421.367,3.136,5,0.385,0.69,1.0,0.9420104859159756,0.7982146528682065,0.6119268727297649,0.5989394147076965,0.7377728565554109
EOS-4-05527,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)ccn2)nc1,AAPNYIMXFJPDJL-UHFFFAOYSA-N,4,1,0.494,24,199,434.822,3.41,5,0.414,0.68,1.0,0.6560122678363375,0.6712699609348228,0.5408727983003221,0.5680727845932424,0.6090569529161812
EOS-4-05528,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cc2F)n1,PTTCOYVLCYABFH-UHFFFAOYSA-N,4,1,0.512,16,772,432.394,3.204,5,0.417,0.65,1.0,0.8559899938318142,0.7195959838256459,0.5900212459735453,0.568081351518059,0.6834221437872661
EOS-4-05529,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)cc(F)n1,RCMFTJFHFCYVCW-UHFFFAOYSA-N,4,1,0.556,58,28,455.425,3.744,5,0.36,0.6,1.0,0.8630919745048318,0.8434737166746624,0.6477023507641697,0.6287009115208005,0.7457422383661161
EOS-4-05530,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c(F)c1,BCQZMFJELPDYCN-UHFFFAOYSA-N,4,1,0.483,4,712,437.385,3.583,5,0.391,0.71,1.0,0.6868103625522582,0.6909310533890755,0.8521177438146803,0.8229644986635597,0.7632059146048934
EOS-4-05531,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1nccs1,ZBHXKAWSCQEIJY-UHFFFAOYSA-N,4,1,0.578,1,383,433.468,4.642,5,0.388,0.77,1.0,0.9162668768418888,0.8363203344527449,0.7435576725378658,0.6521228839695703,0.7870669419505174
EOS-4-05532,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)nc4F)n23)nc1F,LULFOQIVMNWJQC-UHFFFAOYSA-N,4,1,0.511,58,28,439.357,3.275,5,0.371,0.57,1.0,0.8304519909533274,0.7814149133027208,0.5607737646494414,0.5353899664176547,0.6770076588307861
EOS-4-05533,COc1ccc(Cl)cc1-c1nnc2cncc(OCCc3cncc(F)c3)n12,OYBBTZMWMWKAGB-UHFFFAOYSA-N,4,1,0.566,90,281,399.813,3.609,4,0.493,0.8,1.0,0.8282588582002605,0.7196045507504626,0.7760520183674868,0.7518161880611336,0.7689329038448358
EOS-4-05534,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c(F)c2)cn1,RRDMUKZVCVKIGX-UHFFFAOYSA-N,4,1,0.679,91,322,432.434,4.092,5,0.404,0.83,1.0,0.7533496676033171,0.7982232197930231,0.8653622095812488,0.842942567336029,0.8149694160784046
EOS-4-05535,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)cc3F)n12,BBVIWSMJWVSVQE-UHFFFAOYSA-N,4,1,0.56,35,0,436.447,4.21,5,0.397,0.71,1.0,0.8631005414296484,0.8710420807346995,0.7254814611746967,0.7227314783085463,0.7955888904118977
EOS-4-05537,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)cc3F)n12,YAAFZNSSJRQYQA-UHFFFAOYSA-N,4,1,0.56,35,0,436.447,4.21,5,0.397,0.71,1.0,0.842582756493729,0.8710506476595161,0.7306815845384141,0.7201785347131794,0.7911233808512097
EOS-4-05538,Fc1ccc(Oc2cncc3nnc(-c4ccc(-c5cncnc5)nn4)n23)c(F)c1,GOHKHJSQHGLKEW-UHFFFAOYSA-N,4,1,0.398,54,251,404.34,3.109,5,0.45,0.71,1.0,0.6184291686656158,0.6089113151942979,0.6505208690288534,0.6692995682269892,0.6367902302789391
EOS-4-05539,N#Cc1ncc(COc2cncc3nnc(-c4ccnc(-c5ncco5)c4)n23)cc1F,SJUZVGCSGRHACJ-UHFFFAOYSA-N,4,1,0.512,24,912,414.36,2.826,5,0.426,0.6,1.0,0.7851158248235214,0.57466074977726,0.5408813652251387,0.45229079569597697,0.5882371838804743
EOS-4-05540,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccsc5)n34)c(F)n2)nc1,PRVJOXMHLYVRAN-UHFFFAOYSA-N,4,1,0.518,65,262,437.435,3.605,5,0.375,0.64,1.0,0.8607446371050648,0.802403879103557,0.39663148516208624,0.4110838873278048,0.6177159721746281
EOS-4-05542,Oc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cscn1,RXYFZJOSLNKUPS-UHFFFAOYSA-N,4,1,0.529,11,201,434.456,3.776,5,0.406,0.6,1.0,0.865122335686382,0.8064988691659242,0.614993831814132,0.5517013912685902,0.7095791069837571
EOS-4-05543,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1n[nH]c(OC(F)F)n1,GRNFLRCXCRFHHM-UHFFFAOYSA-N,4,1,0.459,47,208,489.805,3.339,5,0.366,0.57,1.0,0.7706634226578027,0.8024124460283737,0.6971506408059763,0.6869988348982249,0.7393063360975944
EOS-4-05544,N#Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1F,CQXLHSCQQXJMMK-UHFFFAOYSA-N,4,1,0.506,24,912,429.44,3.9,5,0.417,0.63,1.0,0.8074412308957577,0.6520029470221369,0.7831025974916044,0.7389229662120486,0.745367435405387
EOS-4-05545,N#Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)n1,CEIOTMVGZIUSND-UHFFFAOYSA-N,4,1,0.529,24,912,424.399,3.233,5,0.422,0.62,1.0,0.6837177026934411,0.6712785278596395,0.6265334795421835,0.5839986978274279,0.6413821019806729
EOS-4-05546,NC(=O)c1ccc(-c2nnc3cncc(-c4nncnc4-c4ccc(F)cc4)n23)c(F)c1F,PNFKCGFMSVBBPH-UHFFFAOYSA-N,4,1,0.337,45,730,448.368,2.827,5,0.448,0.68,0.265,0.2669282434377356,0.3971369337262696,0.6699335206634227,0.720187101637996,0.513546449866356
EOS-4-05547,CCC(C)(C)c1cnc(Cc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)cc4)n23)cn1,JUIMFOYPAQQGQE-UHFFFAOYSA-N,4,1,0.37,85,674,454.513,4.456,5,0.374,0.53,1.0,0.39891028716331983,0.4116493043657049,0.4106384072373381,0.2728051538619697,0.3735007881570831
EOS-4-05548,FCc1nccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)c1F,SQOYNPHFQLTVDT-UHFFFAOYSA-N,4,1,0.452,24,28,455.425,4.032,5,0.357,0.55,0.995,0.692670139126859,0.6712870947844561,0.6090226852169145,0.5840072647522445,0.6392467959701186
EOS-4-05549,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc(Cl)n2)nc1,JWHOEWHHYVCHLU-UHFFFAOYSA-N,4,1,0.447,51,775,470.255,3.458,5,0.356,0.57,0.986,0.735401960112398,0.760006168185868,0.36660441367966556,0.4769035706942636,0.5847290281680488
EOS-4-05550,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(OCCCOc3ccccc3)n12,VMEOBNIERBFKJY-UHFFFAOYSA-N,4,1,0.478,91,309,431.431,3.563,5,0.375,0.71,1.0,0.7203841409087793,0.6956942635871428,0.5138013158796518,0.5154375985196354,0.6113293297238024
EOS-4-05551,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)cc1F,CNLGXOMLPBJCJN-UHFFFAOYSA-N,4,1,0.495,87,143,455.812,3.789,5,0.356,0.67,1.0,0.787831539990405,0.7687786991981358,0.6725378658076897,0.6928843122472758,0.7305081043108766
EOS-4-05553,Fc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cc1-c1nc[nH]n1,QMMUOGBGFZJWLJ-UHFFFAOYSA-N,4,1,0.473,47,526,440.801,3.482,5,0.446,0.63,1.0,0.7764974984579536,0.8024210129531903,0.7306901514632308,0.7768230416009869,0.7716079261188404
EOS-4-05554,Cn1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cc2F)cn1,UMBSEQDXEPWXCL-UHFFFAOYSA-N,4,1,0.529,4,712,437.385,3.583,5,0.391,0.73,1.0,0.5645089438695086,0.6274158727983004,0.8695942704406826,0.8410407100267288,0.725639949283805
EOS-4-05555,Cc1ncncc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncc1F,UKFBOARSYZZZOC-UHFFFAOYSA-N,4,1,0.517,73,335,448.849,3.718,5,0.4,0.69,1.0,0.9190339935576726,0.9505345761085601,0.4327753409636077,0.48612158179699816,0.6971163731067096
EOS-4-05556,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cc(F)ncn1,GXLHMAFQTXPQBP-UHFFFAOYSA-N,4,1,0.516,15,669,477.887,4.066,5,0.255,0.64,1.0,0.9492152696867933,0.887096497841135,0.7306987183880475,0.6492872318552533,0.8040744294428073
EOS-4-05557,N#Cc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)ccn1,FFSGYRAYQBSKGY-UHFFFAOYSA-N,4,1,0.511,4,675,440.854,3.747,5,0.406,0.76,1.0,0.8779384552121171,0.9536186690425604,0.7254900280995134,0.7254643273250634,0.8206278699198135
EOS-4-05558,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,UVIAMTLBNLGDDD-UHFFFAOYSA-N,4,1,0.583,11,0,452.902,4.724,5,0.347,0.7,1.0,0.902645466383387,0.9293228702624906,0.7228771160304297,0.7467531354944829,0.8253996470426975
EOS-4-05560,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccc1Cl,JXLOYWYNSSTWDH-UHFFFAOYSA-N,4,1,0.545,90,281,412.24,3.381,4,0.463,0.65,1.0,0.8962459735453362,0.9611061613323282,0.6419453772873689,0.7201956685628127,0.8048732951819615
EOS-4-05561,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)c1F,LVWJVMFEOZZNCU-UHFFFAOYSA-N,4,1,0.463,87,143,470.892,4.863,5,0.33,0.65,1.0,0.7962785278596395,0.8710592145843328,0.7254985950243301,0.7838993214995545,0.7941839147419643
EOS-4-05563,CCn1cc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)cn1,DANSOZQLUOZIKL-UHFFFAOYSA-N,4,1,0.453,13,724,453.84,4.794,5,0.38,0.69,1.0,0.485067850044548,0.6138715646631485,0.8142776368994585,0.7998680693578233,0.6782712802412445
EOS-4-05564,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)c5Cl)n34)ccc2F)c[nH]1,ODHWSRCSGOIBMN-UHFFFAOYSA-N,4,1,0.5,16,606,449.877,4.565,5,0.422,0.67,1.0,0.8230930025358097,0.7515506133918168,0.7784764580906038,0.7440202864779659,0.774285090124049
EOS-4-05565,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ccc(F)cn1,RGBNZDQGYGWUJB-UHFFFAOYSA-N,4,1,0.521,11,777,460.444,4.157,5,0.36,0.65,1.0,0.9402028647796586,0.8594081968336645,0.7691385100404359,0.6982300733328765,0.8167449112466588
EOS-4-05566,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)cc1,MGYUJLGLMAMKDD-UHFFFAOYSA-N,4,1,0.5,48,678,438.438,3.755,4,0.435,0.83,1.0,0.4873552189705983,0.4915701459803989,0.7047580700431773,0.5154461654444521,0.5497824001096566
EOS-4-05567,Cc1cnc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccc(C#N)cn5)c4)n23)cn1,INTNETIXBUTNEO-UHFFFAOYSA-N,4,1,0.456,46,348,438.426,3.542,5,0.409,0.76,1.0,0.7735847440202864,0.6323075868686177,0.7124854362278117,0.6664125145637722,0.696197570420122
EOS-4-05568,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)nc1,GQFNQCTZWAREHU-UHFFFAOYSA-N,4,1,0.58,73,420,434.822,3.41,5,0.414,0.71,1.0,0.635314577479268,0.715004112123912,0.48939414707696527,0.5252124597354534,0.5912313241038997
EOS-4-05569,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,ULMXZLNAEGSUCG-UHFFFAOYSA-N,4,1,0.576,72,386,421.367,3.136,5,0.385,0.69,1.0,0.8873021040367349,0.7982317867178398,0.6119354396545816,0.5869285861147283,0.7210994791309712
EOS-4-05570,Fc1cccc(COc2cncc3nnc(-c4cccc(-c5ncsn5)c4)n23)c1F,UYGYANNYSFIXKH-UHFFFAOYSA-N,4,1,0.577,43,293,422.42,4.167,5,0.423,0.66,1.0,0.6685371119183058,0.6469912960043863,0.8039973271194572,0.7998766362826399,0.7298505928311974
EOS-4-05571,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nc4F)n23)ccc1-c1cccs1,RFSMHKWKCXVIDH-UHFFFAOYSA-N,4,1,0.472,97,383,467.913,5.295,5,0.316,0.72,1.0,0.947416215475293,0.8792491947090673,0.8469347543005963,0.795516071550956,0.8672790590089782
EOS-4-05572,Cc1nnc(-c2ccc(COc3cncc4nnc(-c5ccc(Cl)c(C(F)F)c5)n34)cn2)o1,VIURTZRAKODEQP-UHFFFAOYSA-N,4,1,0.523,27,483,469.839,4.715,5,0.352,0.71,0.994,0.8046655472551573,0.8532228771160304,0.8124528819135083,0.7672195188815023,0.8093902062915497
EOS-4-05573,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ncncc3F)n12,SMEOGLQQRONUBQ-UHFFFAOYSA-N,4,1,0.506,37,490,436.447,4.21,5,0.397,0.71,1.0,0.8353437050236447,0.8219364676855596,0.6755534233431567,0.712271263107395,0.761276214789939
EOS-4-05574,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)nc4)n23)cc1F,NYFUPZPVOPACMM-UHFFFAOYSA-N,4,1,0.521,62,504,471.427,3.483,5,0.404,0.86,1.0,0.2590466726064012,0.2696182578301693,0.6324446576656844,0.5615619217325749,0.43066787745870744
EOS-4-05575,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(F)cc1-c1ncc[nH]1,BRZSPDGBBGZJGW-UHFFFAOYSA-N,4,1,0.5,35,161,449.421,3.485,5,0.406,0.56,1.0,0.7413902405592488,0.5852580357754781,0.7228856829552464,0.6287094784456172,0.6695608594338975
EOS-4-05576,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(-c5ncc(F)cn5)n4)n23)cn1,ALZAAVJKYFWISI-UHFFFAOYSA-N,4,1,0.521,87,930,457.404,2.81,5,0.378,0.7,1.0,0.8978908231101363,0.9184343088205058,0.42557912411760673,0.4333664587759578,0.6688176787060516
EOS-4-05577,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(OCc3ccc4ncccc4c3)n12,CLBXDRLRDZFTNJ-UHFFFAOYSA-N,4,1,0.443,43,666,438.426,3.843,6,0.436,0.64,1.0,0.7474898910287163,0.7334744020286478,0.7203841409087793,0.722740045233363,0.7310221197998765
EOS-4-05578,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)c(F)c1,RQIDJYDAMNTWRM-UHFFFAOYSA-N,4,1,0.536,59,607,455.375,3.722,5,0.297,0.7,1.0,0.747498457953533,0.7471986155849496,0.9200106229867727,0.9086423137550544,0.8308375025700774
EOS-4-05579,Fc1cncc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3Cl)n12,LRCRFFVKNQRTNS-UHFFFAOYSA-N,4,1,0.56,47,164,471.283,4.039,5,0.398,0.69,1.0,0.9026540333082037,0.8817336029059009,0.7281115070934138,0.8041515317661572,0.8291626687684188
EOS-4-05580,CCc1nc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1ccccn1,PZIXPFTUILIPHF-UHFFFAOYSA-N,4,1,0.426,44,445,444.445,4.668,5,0.379,0.72,0.795,0.6808991844287574,0.6616835720649715,0.704766636967994,0.7010143238982934,0.687090929340004
EOS-4-05581,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(OCCc3ccc(Br)cc3)n12,SPZJJGKOUPVPHZ-UHFFFAOYSA-N,4,1,0.658,91,231,480.301,4.1,5,0.394,0.72,1.0,0.8873106709615517,0.9016859708039202,0.7644781029401686,0.7697467617024193,0.830805376602015
EOS-4-05582,Cc1ncc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnn5)c4)n23)cc1F,KWNUWPAKYXLZER-UHFFFAOYSA-N,4,1,0.511,16,772,432.394,3.204,5,0.417,0.6,1.0,0.8718645055170996,0.6909396203138921,0.7203927078335961,0.6693081351518059,0.7381262422040984
EOS-4-05583,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4F)n23)cc1F,GJWVQKLBRIEWSD-UHFFFAOYSA-N,4,1,0.312,96,648,473.443,4.069,5,0.396,0.79,1.0,0.5332225344390378,0.5191042423411693,0.6354602152011514,0.5287248989102872,0.5541279727229114
EOS-4-05585,Cc1nc(-c2nnc3cncc(-c4ccc(CC#N)nc4)n23)c(-c2ccc(F)c(F)c2)s1,YVWVBZUAVOMYRB-UHFFFAOYSA-N,4,1,0.305,96,46,445.458,4.63,5,0.4,0.69,0.999,0.24037934343088205,0.39239085737783563,0.6943663902405592,0.7389315331368652,0.5165170310465356
EOS-4-05586,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnc(Br)cn4)nc3)n12,NSYZEIIKTAADNV-UHFFFAOYSA-N,4,1,0.506,65,904,493.3,3.561,5,0.354,0.65,1.0,0.8329706668494278,0.8871050647659516,0.49267527928174903,0.47105236104447945,0.670950842985402
EOS-4-05587,Fc1cc(-c2cccnc2)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,IHNFAUWZCKBURN-UHFFFAOYSA-N,4,1,0.593,97,439,433.834,4.015,5,0.413,0.72,1.0,0.5615362209581248,0.6809334521280241,0.7281200740182304,0.7768316085258036,0.6868553389075457
EOS-4-05588,Clc1cnc(COc2cncc3nnc(-c4cnc(Cl)c(-c5ccccn5)c4)n23)nc1,GUQONCKVEFNQIF-UHFFFAOYSA-N,4,1,0.444,51,196,451.277,3.924,5,0.371,0.66,1.0,0.6353231444040847,0.790101775066822,0.45111712699609346,0.5551024604208074,0.6079111267219518
EOS-4-05589,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)nn4)n23)cc1F,CDCMKLNBZJHJIM-UHFFFAOYSA-N,4,1,0.442,54,445,441.398,3.701,5,0.384,0.7,0.931,0.7140189157699952,0.627424439723117,0.7737218148173531,0.7839078884243712,0.7247682646837091
EOS-4-05591,Cc1cc(-c2nnc3cncc(OCc4c(F)cnc(F)c4F)n23)ccc1-c1cncn1C,JGIYLRXDFCISQE-UHFFFAOYSA-N,4,1,0.462,16,772,451.412,3.892,5,0.377,0.64,0.999,0.7354105270372148,0.6229268041943664,0.8696028373654993,0.7998852032074566,0.7569563429511343
EOS-4-05592,Fc1cc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cnc1-c1ncnc2ccccc12,FRMPBIMFLBITRF-UHFFFAOYSA-N,4,1,0.307,14,891,499.46,4.88,6,0.346,0.67,0.998,0.15743437735590432,0.2592265780275512,0.7255071619491468,0.6842145843328079,0.4565956754163526
EOS-4-05593,COc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1cccnc1,ILVNPYMEXPDFDL-UHFFFAOYSA-N,4,1,0.534,35,982,458.909,4.532,5,0.354,0.73,1.0,0.8873192378863684,0.8561784661777808,0.7596806250428346,0.7065142896305942,0.8024231546843945
EOS-4-05594,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cc3F)n12,PAXYWHBVKWNNJQ-UHFFFAOYSA-N,4,1,0.571,37,832,421.367,3.136,5,0.412,0.67,1.0,0.8759423617298334,0.7472071825097663,0.6591477623192379,0.6434017545062024,0.73142476526626
EOS-4-05595,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cocn4)nc3F)n12,GTPWQLWPRMQAGQ-UHFFFAOYSA-N,4,1,0.53,58,28,421.367,3.136,5,0.385,0.66,1.0,0.8046741141799739,0.7103951065725447,0.5068706737029676,0.47990199438009734,0.6254604722088959
EOS-4-05596,Fc1cc(CCOc2cncc3nnc(-c4cnc(-c5cnccn5)nc4)n23)ncc1Cl,XYQCSFIWAGTXHM-UHFFFAOYSA-N,4,1,0.473,65,324,449.837,2.847,5,0.385,0.67,1.0,0.7650777876773354,0.7939825920087725,0.33339044616544444,0.382787334658351,0.5688095401274759
EOS-4-05597,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)cc1Cl,REAFHFWMWSOQFM-UHFFFAOYSA-N,4,1,0.767,91,781,452.902,4.724,5,0.371,0.77,1.0,0.8695428688917826,0.9147590980741553,0.8215081214447262,0.8429511342608458,0.8621903056678775
EOS-4-05599,C#Cc1ncncc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)ncn1,NMKHJHZPSYBDPK-UHFFFAOYSA-N,4,1,0.511,4,675,440.854,3.252,5,0.383,0.65,1.0,0.8282674251250771,0.9450603111507093,0.5545970118566239,0.5517099581934068,0.7199086765814544
EOS-4-05600,COc1cc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)ccc1-c1cccnc1,JNQYJMRAPCIRDE-UHFFFAOYSA-N,4,1,0.517,35,103,458.909,4.532,5,0.354,0.71,1.0,0.8854259475018847,0.8499931464601467,0.755362894935234,0.7094784456171612,0.8000651086286067
EOS-4-05601,COc1c(Cl)ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c1F,NOKLPXGDNTZHLP-UHFFFAOYSA-N,4,1,0.363,0,188,455.852,4.291,5,0.485,0.88,1.0,0.5407785621273388,0.6416712356932356,0.7334744020286478,0.7955246384757727,0.6778622095812487
EOS-4-05602,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1F,YBDXDJUTGSIYHR-UHFFFAOYSA-N,4,1,0.494,4,911,437.385,3.583,5,0.391,0.71,1.0,0.6778921938181071,0.7008858200260435,0.8610016448495648,0.8351380988280447,0.7687294393804399
EOS-4-05603,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)ccn1,QVGQSKJREZTMTD-UHFFFAOYSA-N,4,1,0.595,72,386,421.367,3.136,5,0.385,0.73,1.0,0.9089164553491879,0.8065074360907408,0.6563720786786376,0.6258481255568501,0.7494110239188542
EOS-4-05604,Cc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cnc(F)cn1,CMVYNBALSBNZBH-UHFFFAOYSA-N,4,1,0.541,35,426,427.443,3.712,5,0.408,0.7,1.0,0.8779470221369338,0.8363289013775616,0.5774878349667604,0.5052686587622507,0.6992581043108765
EOS-4-05605,N#Cc1cc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,NMJFHOULRNZVRK-UHFFFAOYSA-N,4,1,0.505,35,429,443.854,3.988,5,0.387,0.62,1.0,0.9256305256665067,0.865045233363032,0.697159207730793,0.6928928791720924,0.795181961483106
EOS-4-05606,Fc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1nccs1,RIOSOTZIRLUYAJ-UHFFFAOYSA-N,4,1,0.571,35,161,452.902,4.724,5,0.371,0.72,1.0,0.8993729011034199,0.9306935782331575,0.7382461791515318,0.772076965252553,0.8350974059351655
EOS-4-05608,CCN(Cc1cncc2nnc(-c3ccc(-c4ncon4)c(F)c3)n12)c1cc(F)cc(F)c1Cl,BDOHCBSOMAGLQO-UHFFFAOYSA-N,4,1,0.4,88,291,485.857,4.939,5,0.315,0.6,1.0,0.36743540538688235,0.4518024809814269,0.808100884106641,0.8310431087656774,0.6145954698101569
EOS-4-05609,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4Cl)n23)n1,NKCUAUMMPBLQEG-UHFFFAOYSA-N,4,1,0.473,65,324,449.837,2.847,5,0.285,0.59,1.0,0.7792560482489206,0.8500017133849633,0.27044068261256937,0.30302069769035705,0.5506797854842026
EOS-4-05610,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)n1,AAYFMSBYKJBAJK-UHFFFAOYSA-N,4,1,0.456,24,28,458.841,3.61,5,0.29,0.63,1.0,0.6531166472483038,0.7600147351106846,0.4289716263450072,0.479910561304914,0.5805033925022274
EOS-4-05612,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccc(-c4nnc(C(F)F)s4)nc3)n12,QIYONGUPDIJAEB-UHFFFAOYSA-N,4,1,0.448,13,724,493.833,5.366,5,0.304,0.66,0.989,0.7504112123912,0.8594167637584813,0.8405438283873621,0.8466948804057296,0.8242666712356932
EOS-4-05613,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1nccs1,HALGIVOVFCEYOS-UHFFFAOYSA-N,4,1,0.595,11,201,452.902,4.724,5,0.347,0.75,1.0,0.9431327530669591,0.942464532931259,0.7174970872455624,0.7389401000616819,0.8355086183263656
EOS-4-05614,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)c1F,FOKKNFHTRCULHY-UHFFFAOYSA-N,4,1,0.463,87,143,455.812,3.789,5,0.356,0.58,1.0,0.7706719895826194,0.7600233020355014,0.6239291343979165,0.6636625316976218,0.7045717394284149
EOS-4-05616,N#Cc1ccc(-c2nnc3cncc(Oc4ccc(-c5cncs5)cc4F)n23)cn1,IHXDUAKDVVFURS-UHFFFAOYSA-N,4,1,0.437,13,374,415.413,4.113,5,0.435,0.73,1.0,0.7622935371119183,0.7857669111095881,0.7955589061750394,0.7596120896443013,0.7758078610102117
EOS-4-05617,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4Cl)n23)ncc1Cl,BVGWBOVGEGAPBK-UHFFFAOYSA-N,4,1,0.479,58,262,483.294,4.106,5,0.333,0.6,1.0,0.8472088958947296,0.8844578849976013,0.5408899321499554,0.6287180453704339,0.72531868960318
EOS-4-05618,Cc1cc(-c2cc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)ccn2)ncn1,HEMMICDLZWTXHF-UHFFFAOYSA-N,4,1,0.447,7,199,433.382,2.599,5,0.386,0.64,1.0,0.6779007607429237,0.532725652799671,0.3555959152902474,0.2968353779727229,0.4657644267013913
EOS-4-05619,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccccc3Cl)n12,HDZAWNNTXKJYPD-UHFFFAOYSA-N,4,1,0.714,11,143,452.902,4.724,5,0.347,0.62,1.0,0.7354190939620314,0.8330649030224111,0.707319580563361,0.764803646083202,0.7601518059077514
EOS-4-05621,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c1Cl,LZVRCXFYJAIZBR-UHFFFAOYSA-N,4,1,0.554,11,201,452.902,4.724,5,0.347,0.7,1.0,0.8962545404701528,0.9354310876567747,0.717505654170379,0.7279830032211637,0.8192935713796177
EOS-4-05622,O=C(c1ccc(-c2cncc3nnc(-c4ccncc4-c4cccc(F)c4)n23)cc1F)N1CCCC1,JVJLIRJJHIGBNZ-UHFFFAOYSA-N,4,1,0.35,62,376,482.494,5.035,6,0.359,0.85,0.997,0.157442944280721,0.16086114728257145,0.18595367007059146,0.5018418888355836,0.25152491261736687
EOS-4-05623,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)nn5)n4)n23)cc1F,WBVDSOQEIUOSMX-UHFFFAOYSA-N,4,1,0.474,4,788,479.382,2.134,5,0.387,0.63,1.0,0.6926787060516757,0.47366527311356316,0.43278390788842436,0.39843053937358647,0.4993896066068124
EOS-4-05624,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NCC(F)F)cc4)n23)cn1,SMHQGOHLTIFGMA-UHFFFAOYSA-N,4,1,0.408,66,364,459.407,3.279,4,0.426,0.7,1.0,0.26693681036255223,0.28516722637242137,0.7760605852923035,0.5353985333424713,0.4658907888424371
EOS-4-05625,N#CCc1nc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)ccc1F,IMEXOFUEQUHSCY-UHFFFAOYSA-N,4,1,0.545,4,92,477.912,4.747,5,0.348,0.67,1.0,0.6747224316359399,0.8141148653279419,0.7669111095881023,0.7839164553491879,0.7599162154752929
EOS-4-05626,COc1cnc(F)c(COc2cncc3nnc(-c4cc(-c5cncnc5)ccn4)n23)c1,JEVZZAGKUKUEIT-UHFFFAOYSA-N,4,1,0.357,18,435,430.403,2.765,5,0.375,0.64,0.925,0.708039202247961,0.5900897813720787,0.5341820300185045,0.4042560482489206,0.5591417654718662
EOS-4-05627,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4Cl)n23)ccn1,OPNZEKJPDSEWHU-UHFFFAOYSA-N,4,1,0.542,58,28,437.822,3.65,5,0.371,0.61,1.0,0.8379737509423617,0.7729679254334864,0.5477948735521897,0.5680899184428757,0.6817066170927284
EOS-4-05629,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)c(F)n2)n1,DUSGLMXSCGKIEQ-UHFFFAOYSA-N,4,1,0.436,55,223,451.372,2.738,5,0.372,0.62,0.945,0.7735933109451032,0.772976492358303,0.44745048317455965,0.4394061407717086,0.6083566068124187
EOS-4-05630,Cc1nccnc1Oc1ccc(COc2cncc3nnc(-c4ccc(C#N)c(F)c4)n23)nc1,QMWPBAIINQOGMC-UHFFFAOYSA-N,4,1,0.516,4,677,454.425,3.667,5,0.378,0.73,0.999,0.7935542457679391,0.7982403536426564,0.6477109176889864,0.5118908916455349,0.6878491021862793
EOS-4-05631,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cc3F)n12,DQLCGTYYSQXERH-UHFFFAOYSA-N,4,1,0.571,37,832,421.367,3.136,5,0.412,0.72,1.0,0.879823178671784,0.7559711465972174,0.6643393187581386,0.6407031731889521,0.735209204304023
EOS-4-05632,C#Cc1ncc(COc2cncc3nnc(-c4ccnc(-c5cnco5)c4)n23)c(F)n1,LJDDRMGKPAKETL-UHFFFAOYSA-N,4,1,0.449,75,441,414.36,2.331,5,0.315,0.64,1.0,0.7680419436639024,0.579997943938044,0.3631005414296484,0.2877116030429717,0.4997130080186417
EOS-4-05634,Fc1ccc(F)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4)n23)c1,QWPYIQBFMXSFKG-UHFFFAOYSA-N,4,1,0.575,47,611,405.368,3.434,5,0.482,0.7,1.0,0.9295798780069906,0.7687872661229525,0.8289356452607772,0.8152114317044754,0.835628555273799
EOS-4-05635,Fc1cc(-c2nccnn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,YPTFBKUUEUCYFT-UHFFFAOYSA-N,4,1,0.612,35,393,414.404,2.799,5,0.418,0.71,1.0,0.8779555890617504,0.9041618120759373,0.4582448084435611,0.43941470769652524,0.6699442293194434
EOS-4-05636,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cc(F)cc(F)c4F)n23)cc1F,ATOHJJKNBCOZGW-UHFFFAOYSA-N,4,1,0.34,23,188,427.361,3.907,5,0.396,0.85,1.0,0.36973990816256597,0.4736738400383798,0.8670156260708656,0.9206874100472894,0.6577791960797752
EOS-4-05637,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)cc1F,KZVSBBSWSCIMFW-UHFFFAOYSA-N,4,1,0.329,0,129,454.412,2.985,4,0.483,0.81,1.0,0.4371958741690083,0.4783171132890138,0.6863134809128915,0.5680984853676924,0.5424812384346515
EOS-4-05638,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)nn2)nc1,HNMOVJBEURRBRO-UHFFFAOYSA-N,4,1,0.477,54,411,432.394,2.938,5,0.403,0.68,0.999,0.7504197793160168,0.6712956617092728,0.4926838462065657,0.5217942567336029,0.6090483859913645
EOS-4-05639,Fc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,PYTPMSRMEDLXOY-UHFFFAOYSA-N,4,1,0.511,11,0,437.822,3.65,5,0.371,0.73,1.0,0.8695514358165993,0.8363374683023782,0.5376602014940717,0.5615704886573916,0.7012798985676102
EOS-4-05641,OCc1cc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)ccc1Cl,VZYKHCIEGDTCTG-UHFFFAOYSA-N,4,1,0.57,90,281,400.801,2.488,4,0.531,0.74,1.0,0.8559985607566308,0.8995185388253033,0.5710712082790761,0.6204081282982661,0.736749109039819
EOS-4-05642,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4F)n23)n1,ABXQCOQAHDAEGT-UHFFFAOYSA-N,4,1,0.542,97,31,422.42,4.167,5,0.396,0.73,1.0,0.612980604482215,0.6760503049825235,0.7914125145637722,0.7885854293742718,0.7172572133506956
EOS-4-05643,COC(C)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)n1C,ZRMDIRDTUQKIIV-UHFFFAOYSA-N,4,1,0.37,68,455,417.395,3.237,4,0.479,0.55,1.0,0.30196696593790695,0.344878692344596,0.7458621753135495,0.5218028236584196,0.478627664313618
EOS-4-05644,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5cocn5)c4)n23)nc1Cl,AIQAYGIIUXCTJI-UHFFFAOYSA-N,4,1,0.456,97,379,423.795,3.608,5,0.395,0.64,1.0,0.6987526557466932,0.6371907340141183,0.5240302241107532,0.5615790555822082,0.6053881673634433
EOS-4-05645,CCc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1ccc(F)cn1,RIVKAQZJBFJAGP-UHFFFAOYSA-N,4,1,0.402,46,267,463.423,4.202,5,0.349,0.65,0.882,0.6239805359468166,0.7196131176752792,0.6419539442121855,0.6347148927421012,0.6550656226440956
EOS-4-05646,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4Cl)n23)ccc1-c1nc[nH]n1,AGCVPLYJSPQPLI-UHFFFAOYSA-N,4,1,0.539,47,164,471.283,4.039,5,0.398,0.64,1.0,0.9243454869440065,0.8844664519224179,0.7644866698649853,0.8269395517784935,0.8500595401274758
EOS-4-05647,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)o4)n23)cc1F,DHLDHAYCUHFNKG-UHFFFAOYSA-N,4,1,0.532,62,504,460.4,3.681,5,0.412,0.84,1.0,0.31508292783222536,0.3543023096429306,0.6505294359536701,0.5712425467754095,0.4727893050510589
EOS-4-05648,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5cncnc5)n4)n23)cn1,UWSQRRFVYDNOKV-UHFFFAOYSA-N,4,1,0.467,55,817,451.277,3.924,5,0.371,0.57,1.0,0.5869971215132616,0.8257230484545267,0.6090312521417311,0.6811561921732575,0.6757269035706942
EOS-4-05650,Fc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,GHQDRKJPLDDSCY-UHFFFAOYSA-N,4,1,0.505,73,263,483.294,4.106,5,0.333,0.65,1.0,0.8993814680282366,0.9239428414776232,0.48613871564663147,0.5931481735316291,0.72565279967103
EOS-4-05651,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4Cl)n23)c1,POWUNLDAIGKEJD-UHFFFAOYSA-N,4,1,0.553,35,0,469.357,5.238,5,0.339,0.77,1.0,0.8583887327804811,0.8844750188472346,0.7572904530189843,0.8269481187033103,0.8317755808375025
EOS-4-05652,Fc1c(-c2ncccn2)ccc(-c2nnc3cncc(OCCc4cnc(Cl)nn4)n23)c1Cl,UNCFOCGATBASJZ-UHFFFAOYSA-N,4,1,0.489,37,325,484.282,3.501,5,0.357,0.46,1.0,0.8496162017682133,0.8896837091357687,0.37831539990405044,0.4982694811870331,0.6539711979987664
EOS-4-05655,Fc1cccc(CCOc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)c1,ODRWIEKDWCLHMF-UHFFFAOYSA-N,4,1,0.703,23,370,388.324,3.969,4,0.384,0.82,1.0,0.9689191967651292,0.9734853676924131,0.9769378383935302,0.9803903090946474,0.97493317798643
EOS-4-05656,N#Cc1cc(-c2cc(-c3nnc4cncc(OCc5nncc(CF)n5)n34)ccn2)ncc1F,DDJOXUYZWOJJRG-UHFFFAOYSA-N,4,1,0.427,7,199,458.392,2.493,5,0.373,0.56,1.0,0.5958981563977794,0.5993763278733466,0.3591254883147145,0.36996264820779934,0.48109065519841
EOS-4-05657,CC(C)(O)c1cnc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cn1,KNTBXVFRMSZQCM-UHFFFAOYSA-N,4,1,0.612,90,281,412.4,2.708,4,0.52,0.74,1.0,0.7413988074840655,0.5993848947981633,0.7716057843876362,0.5960780618189295,0.6771168871221986
EOS-4-05658,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1cnco1,FLGLVIQYFQIZHZ-UHFFFAOYSA-N,4,1,0.646,91,955,431.427,4.216,5,0.381,0.73,1.0,0.9409481872387088,0.7104036734973613,0.7808237954903707,0.6782348708107737,0.7776026317593037
EOS-4-05661,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c(F)cn1,NODPWAOKZNUWTC-UHFFFAOYSA-N,4,1,0.566,11,201,436.447,4.21,5,0.371,0.74,1.0,0.9089250222740045,0.8950466040710027,0.722894249880063,0.6897145500651086,0.8041451065725447
EOS-4-05662,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)c1Cl,FNDBDPKOFPSQQP-UHFFFAOYSA-N,4,1,0.463,87,143,470.892,4.863,5,0.33,0.59,1.0,0.7990113768761565,0.8680950585977657,0.7281286409430471,0.7907271605784387,0.796490559248852
EOS-4-05663,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)n1,JLGYEBPUGGJBOE-UHFFFAOYSA-N,4,1,0.506,4,31,438.875,4.681,5,0.371,0.66,1.0,0.6294890686039339,0.7381176752792817,0.6620433829072716,0.7036272359673772,0.6833193406894662
EOS-4-05664,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1ccsc1,YBNCIKBPAFAJSU-UHFFFAOYSA-N,4,1,0.74,91,955,462.962,5.803,5,0.305,0.7,1.0,0.8816736344321843,0.859425330683298,0.8564440408470976,0.833116304571311,0.8576648276334726
EOS-4-05665,Fc1ccc(CCOc2cncc3nnc(-c4cnc(Cl)nc4)n23)nc1Cl,PYIHCPSNQQJTSE-UHFFFAOYSA-N,4,1,0.506,90,811,406.208,3.044,4,0.372,0.72,1.0,0.8125214173120416,0.89952710575012,0.5642005345761085,0.654890000685354,0.732784764580906
EOS-4-05667,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cc(F)cc(F)c4F)n23)c(F)c1,HVFCARIOPFRUAR-UHFFFAOYSA-N,4,1,0.374,23,129,427.361,3.907,5,0.396,0.86,1.0,0.3767219518881502,0.46062641354259476,0.8736978274278665,0.9218268110479062,0.6582182509766294
EOS-4-05668,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)c(F)c1,ITGWXOZGZHOZCF-UHFFFAOYSA-N,4,1,0.35,0,129,454.412,2.985,4,0.483,0.77,0.999,0.4488040572955932,0.4606349804674114,0.6971677746556096,0.5681070522925091,0.5436784661777809
EOS-4-05669,COc1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccccn1,WMEUVKXJGJZRTD-UHFFFAOYSA-N,4,1,0.588,1,61,428.427,3.975,5,0.404,0.76,1.0,0.8304605578781441,0.7381262422040984,0.69976355287506,0.5931567404564457,0.7153767733534371
EOS-4-05670,COc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ncccc1F,KDGHOSVYFIHYQW-UHFFFAOYSA-N,4,1,0.467,73,196,463.86,4.023,5,0.372,0.72,1.0,0.887327804811185,0.7857754780344047,0.602897333972997,0.5647402508395586,0.7101852169145364
EOS-4-05671,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)nn1,DDKRUIRJJBGZMX-UHFFFAOYSA-N,4,1,0.446,54,411,432.394,2.938,5,0.377,0.68,0.544,0.770680556507436,0.6713042286340896,0.39288773901720236,0.4364419847851415,0.5678286272359674
EOS-4-05672,COCc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,UKZJWZASPRGXHY-UHFFFAOYSA-N,4,1,0.707,90,811,414.828,3.142,4,0.459,0.71,1.0,0.7048266054417106,0.7196216846000959,0.6061099307792475,0.6018607360701802,0.6581047392228085
EOS-4-05673,CCn1cnnc1-c1cc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1Cl,XDQQHMCJALJKJU-UHFFFAOYSA-N,4,1,0.495,36,908,468.855,3.975,5,0.348,0.65,1.0,0.7295678843122473,0.85001028030978,0.6419625111370023,0.6842231512576246,0.7264409567541635
EOS-4-05674,N#Cc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1cscn1,RQXDRRZUYWFDIO-UHFFFAOYSA-N,4,1,0.516,35,265,477.912,4.595,5,0.352,0.65,1.0,0.9351483791378247,0.9368531971763416,0.8453498732095127,0.8520063737920636,0.8923394558289357
EOS-4-05675,Cc1cnc(-c2cc(COc3cncc4nnc(-c5c(F)cccc5Cl)n34)ncn2)nc1,YQJMZNDJCZEHFQ-UHFFFAOYSA-N,4,1,0.472,73,877,448.849,3.718,5,0.4,0.64,1.0,0.6655900897813721,0.7729850592831198,0.4474590500993763,0.495253923651566,0.5953220307038586
EOS-4-05676,Fc1ccc(-c2nccnc2-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cc1,OLVNQBHAYRYMKY-UHFFFAOYSA-N,4,1,0.478,11,141,431.406,3.543,5,0.406,0.74,1.0,0.7706891234322527,0.6809420190528408,0.5206462888081694,0.590004112123912,0.6405703858542937
EOS-4-05678,COc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3cccc(F)c3)n12,UQKLUFUFFNQSIO-UHFFFAOYSA-N,4,1,0.561,97,710,433.468,4.642,5,0.388,0.74,1.0,0.8379823178671784,0.7057775340963608,0.6563806456034542,0.5900126790487287,0.6975382941539304
EOS-4-05679,Fc1cc(-c2ncc[nH]2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,JAGNAAYPTDEJFM-UHFFFAOYSA-N,4,1,0.489,37,563,436.838,3.385,5,0.406,0.72,1.0,0.7935628126927559,0.8434822835994791,0.49269241313138235,0.52522102666027,0.6637396340209719
EOS-4-05680,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(F)c(-c5csnn5)c4)n23)c1,UDAGGTLQJRETAS-UHFFFAOYSA-N,4,1,0.5,34,712,441.398,3.701,5,0.384,0.71,1.0,0.5124734425330684,0.6809505859776575,0.783111164416421,0.7998937701322734,0.6941072407648551
EOS-4-05681,Cc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1-c1nccs1,XTEOONQYSNMIAQ-UHFFFAOYSA-N,4,1,0.455,59,445,454.437,4.615,5,0.361,0.7,0.976,0.7203927078335961,0.7057861010211774,0.8103111507093413,0.7839250222740045,0.7551037454595299
EOS-4-05682,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ccc(F)cn1,SGPWSTNVAAHHDG-UHFFFAOYSA-N,4,1,0.511,11,777,460.444,4.157,5,0.36,0.69,1.0,0.9134569255020218,0.8468576519772463,0.7307072853128641,0.6636710986224384,0.7886732403536427
EOS-4-05683,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4F)n23)ccn1,BKSFATCCVPIADN-UHFFFAOYSA-N,4,1,0.495,58,578,420.383,2.871,5,0.421,0.56,1.0,0.8125299842368583,0.7241450209032966,0.5031097937084504,0.47691213761908025,0.6291742341169213
EOS-4-05684,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,YWCAATMRWOAVAK-UHFFFAOYSA-N,4,1,0.543,58,559,455.425,3.744,5,0.36,0.57,1.0,0.837990884791995,0.8330734699472278,0.641971078061819,0.6492957987800699,0.740582807895278
EOS-4-05685,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)c5ccccc5)cc4F)n23)cc1F,PHSAFBDQFCLOPR-UHFFFAOYSA-N,4,1,0.364,62,504,469.451,4.327,5,0.387,0.86,1.0,0.44881262422040985,0.4518110479062436,0.8438420944417792,0.7976663696799396,0.635533034062093
EOS-4-05686,COc1cc(-c2nnc3cncc(OCc4ncccc4F)n23)ccc1-c1ccccn1,REROHUUTCUZGLA-UHFFFAOYSA-N,4,1,0.54,1,61,428.427,3.975,5,0.404,0.75,1.0,0.8304691248029608,0.7057946679459941,0.6643478856829552,0.5681156192173258,0.692181824412309
EOS-4-05687,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)c(Cl)c4)n23)n1,QCIZLTCMKRULTC-UHFFFAOYSA-N,4,1,0.511,11,846,464.316,4.572,5,0.364,0.71,1.0,0.8926564320471524,0.8950551709958193,0.6029059008978137,0.7094870125419779,0.7750261291206909
EOS-4-05688,CCOc1cncc2nnc(-c3ccc4c(c3)CCC4NC(c3ccc(F)cc3)c3ccc(F)cc3)n12,NPVMFAPKDFUMLO-UHFFFAOYSA-N,4,1,0.535,79,397,497.549,5.835,6,0.306,0.64,1.0,0.867341169213899,0.6416798026180522,0.9747961071893633,0.9681224727571791,0.8629848879446234
EOS-4-05689,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccncc5)n4)n23)c(Cl)c1F,SBWNKHRTSLCWHX-UHFFFAOYSA-N,4,1,0.33,96,26,477.862,4.207,5,0.416,0.69,0.993,0.2590552395312179,0.3639486669864985,0.787189020629155,0.7885939962990884,0.54969673086149
EOS-4-05690,Fc1nc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,USWYSFQDEGARLY-UHFFFAOYSA-N,4,1,0.542,58,28,437.822,3.65,5,0.371,0.61,1.0,0.8673497361387157,0.8065160030155575,0.5511445411555068,0.5681241861421424,0.6982836166129807
EOS-4-05691,Fc1ccc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)cc1-c1nccs1,NFAFDWICUNGFPC-UHFFFAOYSA-N,4,1,0.585,4,71,438.875,4.681,5,0.396,0.66,1.0,0.6837262696182578,0.8399441436501953,0.7382547460763484,0.7815348502501542,0.7608650023987389
EOS-4-05692,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)cc1,IWTMTUHXEORFKS-UHFFFAOYSA-N,4,1,0.512,89,805,429.44,3.9,5,0.391,0.71,0.999,0.8021640052086902,0.7901103419916387,0.7175142210951957,0.6929014460969091,0.7506725035981084
EOS-4-05693,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1ncn[nH]1,BNTDSXYOIDBRTR-UHFFFAOYSA-N,4,1,0.511,37,490,438.373,3.01,5,0.434,0.63,1.0,0.8909002124597355,0.8363460352271949,0.7204012747584128,0.7308100884106641,0.7946144027140017
EOS-4-05694,C#Cc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)cn1,KQARASUUJPTBCF-UHFFFAOYSA-N,4,1,0.467,47,164,430.378,2.81,5,0.427,0.6,1.0,0.8403210883421287,0.7104122404221781,0.7621478993900349,0.7094955794667946,0.755594201905284
EOS-4-05695,Cc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)ccc1-c1nccs1,ZXKPHHGBWKMHGH-UHFFFAOYSA-N,4,1,0.461,59,445,454.437,4.615,5,0.361,0.59,0.755,0.7016825440339935,0.7058032348708108,0.7932801041738058,0.7720855321773696,0.7432128538139948
EOS-4-05696,O=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2F)o1,ZPCGXYGOAHWXJY-UHFFFAOYSA-N,4,1,0.533,37,619,437.366,2.429,5,0.43,0.68,1.0,0.6926872729764924,0.48710677815091497,0.5341905969433213,0.5252295935850867,0.5598035604139538
EOS-4-05697,Fc1cc(F)c(COc2cncc3nnc(-c4cc(-c5ccncc5)ncn4)n23)s1,YUAHHXDGZRNCLY-UHFFFAOYSA-N,4,1,0.407,46,395,423.408,3.562,5,0.427,0.63,0.999,0.5645175107943252,0.537446028373655,0.5744894112809266,0.5712511137002262,0.5619260160372832
EOS-4-05698,Fc1ccc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)cc1-c1cocn1,OLGUXWCUIGOARK-UHFFFAOYSA-N,4,1,0.517,4,71,423.795,3.608,5,0.395,0.69,1.0,0.7962870947844561,0.802429579878007,0.6943749571653759,0.7065228565554109,0.7499036220958126
EOS-4-05699,Cc1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ccccn1,DMFBKPAJTIIKEA-UHFFFAOYSA-N,4,1,0.518,44,348,412.428,4.275,5,0.429,0.71,1.0,0.7736018778699199,0.7008943869508601,0.6419796449866356,0.6258566924816668,0.6855831505722706
EOS-4-05700,COc1cc(-c2nnc3cncc(COc4cccc(F)n4)n23)ccc1-c1ccc(F)nn1,DUAIBVAQTGCPHN-UHFFFAOYSA-N,4,1,0.365,72,224,447.405,3.509,5,0.365,0.66,1.0,0.6685456788431224,0.6229353711191831,0.6671064354739222,0.5517185251182236,0.6275765026386129
EOS-4-05701,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cccc(F)n5)n34)ccn2)ncn1,ZKVTWLDQCXUZMA-UHFFFAOYSA-N,4,1,0.517,24,486,418.367,2.896,5,0.317,0.64,1.0,0.5615447878829415,0.5418665615790556,0.5744979782057432,0.5354071002672881,0.553329106983757
EOS-4-05702,Oc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)cn1,OMAOVDXUUGWUQR-UHFFFAOYSA-N,4,1,0.484,4,208,450.821,3.115,5,0.43,0.55,1.0,0.7204012747584128,0.7196302515249127,0.5546055787814406,0.555111027345624,0.6374370331025975
EOS-4-05703,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(Cl)n1,UOPNNSDBISGFGY-UHFFFAOYSA-N,4,1,0.561,11,201,469.357,5.238,5,0.317,0.6,1.0,0.9190425604824892,0.9368617641011583,0.7149355767253787,0.7768401754506202,0.8369200191899115
EOS-4-05704,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5nnc(C(F)(F)F)o5)n34)cn2)nc1,LFPSTWTUOKAWBL-UHFFFAOYSA-N,4,1,0.462,27,52,455.36,2.933,5,0.39,0.68,1.0,0.5702916181207593,0.594827290795696,0.3966400520869029,0.22896819957508052,0.4476817901446097
EOS-4-05705,OCc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1Cl,CDMFFNQOIQUWGL-UHFFFAOYSA-N,4,1,0.582,90,708,402.241,3.564,4,0.55,0.78,1.0,0.7414073744088822,0.8792577616338839,0.8815279967103009,0.9041104105270372,0.8515758858200262
EOS-4-05706,COc1cc(-c2nnc3cncc(COc4cccnc4F)n23)ccc1-c1cnccn1,CYQUJVRVURHINA-UHFFFAOYSA-N,4,1,0.386,14,767,429.415,3.37,5,0.379,0.69,1.0,0.6383901034884518,0.5374545952984716,0.6119440065793983,0.46166301144541155,0.5623629292029333
EOS-4-05707,Cc1nc(CCOc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)ccc1Cl,WWTURLQVDZQYNG-UHFFFAOYSA-N,4,1,0.556,90,400,425.279,4.295,4,0.474,0.76,1.0,0.9458227674593928,0.9556147625248441,0.8391045850181619,0.8683949009663491,0.9022342539921869
EOS-4-05708,O=C(NCc1cncc2nnc(-c3ccc(C(F)F)nc3F)n12)c1ccc(-c2ncco2)c(F)c1,BLXVMPDJNQQWMK-UHFFFAOYSA-N,4,1,0.531,14,358,483.385,3.987,5,0.287,0.68,1.0,0.3248577890480433,0.41165787129052156,0.7955674730998561,0.7036358028921939,0.5589297340826537
EOS-4-05709,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ccccc1,IMDHTGOKORFYDF-UHFFFAOYSA-N,4,1,0.533,79,955,441.466,4.623,5,0.367,0.74,1.0,0.931918648481941,0.8468662189020629,0.7204098416832294,0.6693167020766225,0.792127852785964
EOS-4-05710,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,DOCYSDCIWNIXSL-UHFFFAOYSA-N,4,1,0.582,97,71,438.875,4.681,5,0.396,0.7,1.0,0.6500068535398533,0.7729936262079364,0.8161709272839421,0.8449472277431294,0.7710296586937153
EOS-4-05711,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,RYYUSXYTHZYZHV-UHFFFAOYSA-N,4,1,0.468,37,832,438.373,3.01,5,0.434,0.63,1.0,0.7504283462408334,0.7687958330477692,0.7255157288739634,0.7415787129052156,0.7465796552669455
EOS-4-05712,Fc1ccc(-c2nnc3cncc(OCc4nnc(Cl)o4)n23)cc1-c1cncnc1,IPCKEGJCXDEIAC-UHFFFAOYSA-N,4,1,0.483,4,817,424.783,3.003,5,0.419,0.75,1.0,0.7016911109588102,0.760031868960318,0.45486087314097734,0.5118994585703516,0.6071208279076143
EOS-4-05713,Fc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1nc[nH]n1,NHFQNZVFXHPYRN-UHFFFAOYSA-N,4,1,0.523,47,164,422.811,3.343,5,0.462,0.56,1.0,0.8909087793845522,0.8330820368720444,0.6809420190528408,0.7202042354876294,0.7812842676992666
EOS-4-05714,Cc1cnnc(-c2ccc(-c3nnc4cncc(COc5ccncc5F)n34)cc2F)n1,DRRYIROJRQLBOI-UHFFFAOYSA-N,4,1,0.404,14,767,432.394,3.204,5,0.417,0.64,1.0,0.6471369337262696,0.5993934617229799,0.57450654513056,0.5422435062709889,0.5908201117126997
EOS-4-05715,CNC(=O)c1ccc(-c2nnc3cncc(CNC(=O)c4ncc(F)cc4F)n23)cc1F,VCCQKTDAWICGAS-UHFFFAOYSA-N,4,1,0.49,90,133,441.373,1.893,4,0.489,0.7,1.0,0.4603694057980947,0.447493317798643,0.39664861901171955,0.34094647385374544,0.41136445411555067
EOS-4-05716,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)nn2)c1,JPISMDUVMGHZAL-UHFFFAOYSA-N,4,1,0.467,54,411,432.394,2.938,5,0.403,0.67,1.0,0.7504369131656501,0.6760588719073402,0.5478034404770064,0.5744551435816599,0.6371885922829141
EOS-4-05717,COc1cc(-c2nnc3cncc(OCCc4cnc(F)c(Cl)c4)n23)ccc1-c1ncc(F)cn1,DZSDOEOLSMEZIZ-UHFFFAOYSA-N,4,1,0.515,35,467,495.877,4.205,5,0.31,0.66,1.0,0.9664776231923788,0.9167294907819888,0.7553714618600507,0.6929100130217257,0.832872147214036
EOS-4-05720,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c(F)n2)nc1,MDPHNIGROSKLCI-UHFFFAOYSA-N,4,1,0.5,65,262,446.421,3.246,5,0.366,0.68,1.0,0.8651309026111987,0.8594338976081146,0.4217839764238229,0.40426461517373724,0.6376533479542184
EOS-4-05721,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccc(F)nn1,UVQQNPVGXWJZGM-UHFFFAOYSA-N,4,1,0.505,72,925,461.432,3.552,5,0.339,0.58,1.0,0.9393204715235419,0.8363546021520115,0.6643564526077719,0.5615876225070249,0.7504047871975875
EOS-4-05723,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ncno5)cc4)n23)c1F,QJEDQUKIHXWWQZ-UHFFFAOYSA-N,4,1,0.568,43,178,406.352,3.699,5,0.439,0.71,1.0,0.9216383387019396,0.7559797135220341,0.8549533959289973,0.8229730655883764,0.8388861284353368
EOS-4-05724,N#Cc1ccc(-c2ccnc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)n2)nn1,ZZLCAQYJZOBUER-UHFFFAOYSA-N,4,1,0.322,22,216,436.826,3.102,5,0.416,0.71,0.556,0.3558357891851141,0.5698718388047427,0.5868857514906449,0.6664210814885888,0.5447536152422726
EOS-4-05725,Cc1ncc(F)cc1CNC(=O)c1ccc(-c2nnc3cncc(Cl)n23)c(F)c1,QEMQYZXOEZNNJD-UHFFFAOYSA-N,4,1,0.48,90,861,414.803,3.356,4,0.553,0.85,1.0,0.432432663970941,0.5010537317524502,0.7334829689534644,0.7095041463916113,0.5941183777671167
EOS-4-05726,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1cnco1,KJHMUOQPOQRILV-UHFFFAOYSA-N,4,1,0.5,55,390,423.795,3.608,5,0.395,0.65,1.0,0.7263295867315468,0.8065245699403742,0.5932938112535124,0.6144455486258653,0.6851483791378248
EOS-4-05727,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1cnco1,CTRBOTJQDNUMQJ-UHFFFAOYSA-N,4,1,0.74,91,955,431.427,4.216,5,0.381,0.73,1.0,0.9089335891988212,0.7196388184497293,0.7808323624151875,0.6751936125008567,0.7711495956411487
EOS-4-05729,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)cc1F,QAXFQRCAHQVAQS-UHFFFAOYSA-N,4,1,0.467,73,353,438.373,2.978,5,0.389,0.58,1.0,0.7765060653827702,0.7643238982934686,0.6090398190665479,0.5712596806250428,0.6802823658419574
EOS-4-05730,COc1ncc(F)cc1COc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,JKNXRWBUQIYTTK-UHFFFAOYSA-N,4,1,0.494,75,183,429.415,3.37,5,0.405,0.75,1.0,0.7504454800904667,0.5900983482968953,0.547812007401823,0.42709546981015695,0.5788628263998356
EOS-4-05731,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)n1,LLIRZLYVTXMFSQ-UHFFFAOYSA-N,4,1,0.523,73,82,432.394,3.204,5,0.417,0.65,1.0,0.8448101569460627,0.7643324652182852,0.492700980056199,0.44267013912685904,0.6361284353368515
EOS-4-05732,COc1cc(-c2nnc3cncc(OCCc4c(F)cnnc4F)n23)ccc1-c1cccnc1,PNNDYKVWBRHGFM-UHFFFAOYSA-N,4,1,0.516,35,103,461.432,3.552,5,0.363,0.6,1.0,0.9026626002330204,0.8257316153793435,0.6563892125282709,0.5900212459735453,0.743701168528545
EOS-4-05733,C#Cc1ccc(COc2cc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)ncn2)cc1,HKHOZGFWVNAJCT-UHFFFAOYSA-N,4,1,0.34,74,139,439.866,3.857,5,0.303,0.6,1.0,0.5460300870399561,0.6713127955589062,0.7669196765129189,0.7389486669864985,0.6808028065245699
EOS-4-05734,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cccnn1,HWWYPGOAPCVCAE-UHFFFAOYSA-N,4,1,0.551,37,275,447.861,4.057,5,0.387,0.66,1.0,0.9319272154067576,0.9411709272839421,0.6997721197998766,0.7440288534027826,0.8292247789733398
EOS-4-05735,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnn(-c5cc(F)ccc5F)n4)n23)cc1F,WWPZJYMHNISMAI-UHFFFAOYSA-N,4,1,0.33,22,331,450.384,2.816,5,0.452,0.8,1.0,0.17924576793914057,0.32553457610856007,0.6265420464670002,0.634723459666918,0.44151146254540474
EOS-4-05736,OCc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncc[nH]5)c4)n23)nc1,DMIDYEINTQNNDO-UHFFFAOYSA-N,4,1,0.5,4,71,417.404,2.787,5,0.437,0.7,1.0,0.6779093276677404,0.7104208073469948,0.6725464327325064,0.5989479816325132,0.6649561373449386
EOS-4-05737,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cc(F)n1,XCCSSPQFUXDWTK-UHFFFAOYSA-N,4,1,0.627,35,352,436.447,4.21,5,0.371,0.66,1.0,0.9295884449318073,0.8871136316907683,0.7596891919676513,0.7279915701459804,0.8260957096840519
EOS-4-05738,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccc(C#N)cn1,VQEYPUSKMCHHLT-UHFFFAOYSA-N,4,1,0.532,35,982,467.464,3.889,5,0.354,0.75,1.0,0.9483071756562265,0.895063737920636,0.810319717634158,0.709512713316428,0.8408008361318621
EOS-4-05739,Cc1ncc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cocn6)ncn5)n34)cc2F)cc1F,JXVDZQVQZCKDKT-UHFFFAOYSA-N,4,1,0.31,32,572,468.427,4.552,6,0.371,0.69,1.0,0.32486635597285995,0.4067490233705709,0.7644952367898019,0.7389572339113152,0.558766962511137
EOS-4-05740,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4F)n23)cc1F,LOXQSUMLTJGRFS-UHFFFAOYSA-N,4,1,0.473,37,832,438.373,3.01,5,0.434,0.69,1.0,0.7533582345281338,0.7688043999725859,0.7669282434377356,0.767228085806319,0.7640797409361935
EOS-4-05741,Fc1ccc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)cn1,ZCGOQKPTRPUJGL-UHFFFAOYSA-N,4,1,0.442,55,959,434.822,3.41,5,0.387,0.66,1.0,0.7204098416832294,0.8896922760605853,0.5341991638681379,0.5647488177643754,0.677262524844082
EOS-4-05742,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)nc(F)n1,LGCLGRZIIPNQEW-UHFFFAOYSA-N,4,1,0.511,37,325,440.345,2.67,5,0.29,0.74,1.0,0.8425913234185457,0.7857840449592214,0.4861472825714482,0.4769207045438969,0.647860838873278
EOS-4-05743,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)cc1,CEPGGWWZNNSQMX-UHFFFAOYSA-N,4,1,0.5,48,678,424.411,3.364,4,0.473,0.83,1.0,0.5099719004866013,0.5145295044890686,0.7691470769652525,0.586937153039545,0.5951464087451168
EOS-4-05744,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12,DGZWFUFNCLOOSA-UHFFFAOYSA-N,4,1,0.476,24,28,439.863,4.076,5,0.381,0.67,0.999,0.7623021040367349,0.7688129668974025,0.6090483859913646,0.6434103214310192,0.6958934445891303
EOS-4-05745,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)ccn2)c1,NWDVXGMVIFVVDO-UHFFFAOYSA-N,4,1,0.5,75,583,448.849,3.452,5,0.364,0.6,1.0,0.8425998903433624,0.7730021931327531,0.4511256939209102,0.48902576930984853,0.6389383866767185
EOS-4-05747,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCc3cccc(Cl)n3)n12,LPIQFQDEKCOPMA-UHFFFAOYSA-N,4,1,0.542,97,31,438.875,4.681,5,0.371,0.7,1.0,0.6268504557604002,0.738134809128915,0.7914210814885888,0.8229816325131931,0.7448469947227743
EOS-4-05748,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1F,PGBHXNIQWIDBCI-UHFFFAOYSA-N,4,1,0.416,0,188,425.826,4.282,5,0.529,0.9,1.0,0.46037797272291137,0.590106915221712,0.80023644712494,0.8992529641559865,0.6874935748063875
EOS-4-05749,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnoc5)nc4F)n23)c(F)cn1,BCTCYWRYKCBRFF-UHFFFAOYSA-N,4,1,0.523,35,143,439.357,3.275,5,0.371,0.61,1.0,0.6987612226715099,0.7058118017956274,0.7382633130011651,0.7122798300322116,0.7137790418751284
EOS-4-05750,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)cc1F,ISWNRULCRIDECT-UHFFFAOYSA-N,4,1,0.517,4,712,437.385,3.583,5,0.391,0.69,1.0,0.7140274826948119,0.6957028305119595,0.8595709684051813,0.8289956137344938,0.7745742238366117
EOS-4-05751,Clc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cncnc3)n12,BLRWNIQRMHAPGU-UHFFFAOYSA-N,4,1,0.565,37,361,430.859,3.313,5,0.404,0.72,1.0,0.8329792337742444,0.892587896648619,0.46882496059214585,0.5154547323692688,0.6774617058460696
EOS-4-05752,Fc1cnc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3F)n12,YZOFPUUDSVZBAK-UHFFFAOYSA-N,4,1,0.451,87,143,471.88,4.258,5,0.27,0.64,1.0,0.802172572133507,0.8681036255225825,0.49610204920841616,0.5681327530669591,0.6836277499828662
EOS-4-05754,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)s1,YLWXADBIOJXNAI-UHFFFAOYSA-N,4,1,0.571,75,583,436.447,4.21,5,0.397,0.62,1.0,0.8607532040298814,0.7559882804468508,0.7229028168048797,0.7122883969570283,0.76298317455966
EOS-4-05756,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5ccc(Br)cc5)n34)cc2F)n1,DYHCBIZTISSAQB-UHFFFAOYSA-N,4,1,0.62,43,96,480.301,4.365,5,0.402,0.71,1.0,0.8909173463093688,0.8363631690768282,0.7175227880200123,0.7036443698170105,0.787111918305805
EOS-4-05757,COc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)c(C)c5)n34)cn2)cn1,XDWQCESQRPXZKT-UHFFFAOYSA-N,4,1,0.523,55,374,429.415,3.892,5,0.415,0.69,1.0,0.7475070248783496,0.7241535878281132,0.6061184977040641,0.47106092796929616,0.6372100095949558
EOS-4-05758,COc1cc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cn4)n23)ccc1-c1cscn1,YBUBWKQCYKKZMP-UHFFFAOYSA-N,4,1,0.568,27,61,500.462,4.796,5,0.315,0.67,1.0,0.7562709889658008,0.8024381468028237,0.9399715578096086,0.8229901994380098,0.8304177232540608
EOS-4-05759,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)ccc2F)cn1,UITHKKULOSXIRO-UHFFFAOYSA-N,4,1,0.506,4,394,437.385,3.583,5,0.391,0.73,1.0,0.5560019875265575,0.6520115139469536,0.8737063943526832,0.8467034473305463,0.7321058357891851
EOS-4-05760,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,REVXHDRHEVNISP-UHFFFAOYSA-N,4,1,0.542,4,143,438.875,4.681,5,0.371,0.71,1.0,0.6440357069426359,0.7730107600575697,0.6943835240901925,0.7364299910903982,0.7119649955451992
EOS-4-05761,COc1nc(-c2cnc(F)nc2)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,DHQBKUXVDNCQNL-UHFFFAOYSA-N,4,1,0.473,65,710,462.42,2.947,5,0.337,0.59,0.973,0.8379994517168118,0.6713213624837229,0.4688335275169625,0.369971215132616,0.5870313892125283
EOS-4-05762,Fc1ccnc(COc2cncc3nnc(-c4ccc(F)c(-c5cocn5)c4)n23)c1,JTMPWOLELJISLO-UHFFFAOYSA-N,4,1,0.585,4,71,406.352,3.699,5,0.439,0.68,1.0,0.7295764512370639,0.7104293742718114,0.8103282845589748,0.7976749366047563,0.7620022616681515
EOS-4-05763,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ccsn1,FGXLYZILUNYPRO-UHFFFAOYSA-N,4,1,0.578,1,383,433.468,4.642,5,0.388,0.77,1.0,0.8891782605715852,0.7901189089164553,0.785304297169488,0.7095212802412446,0.7935306867246933
EOS-4-05765,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1nccs1,VOUZFHJZSSTSGN-UHFFFAOYSA-N,4,1,0.565,35,429,452.902,4.724,5,0.371,0.71,1.0,0.9372387087930917,0.9382753066959084,0.7124940031526283,0.7518247549859502,0.8349581934068947
EOS-4-05766,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c1F,FEZUXPSCXFVMMR-UHFFFAOYSA-N,4,1,0.483,24,28,457.853,4.215,5,0.365,0.59,0.998,0.6837348365430745,0.7814234802275375,0.6643650195325885,0.7122969638818449,0.7104550750462614
EOS-4-05767,O=C(c1cnc(Cc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1)N1CC(O)C1,FOMPYWSEADQTTM-UHFFFAOYSA-N,4,1,0.6,78,5,453.409,1.59,5,0.468,0.67,0.999,0.4346686313480913,0.37368069357823314,0.1602100609965047,0.25527722568706734,0.3059591529024741
EOS-4-05768,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)c1F,PWPJDCWOEWXCDG-UHFFFAOYSA-N,4,1,0.461,97,606,436.447,4.475,5,0.404,0.71,1.0,0.8282759920498938,0.7515591803166335,0.8002450140497567,0.7493232129394832,0.7823508498389419
EOS-4-05769,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1F,KVBKPBBQZHHDMM-UHFFFAOYSA-N,4,1,0.705,48,378,425.851,3.565,4,0.51,0.87,1.0,0.8231015694606264,0.6229439380439997,0.7484236858337331,0.7227486121581796,0.7293044513741347
EOS-4-05770,OCc1ccc(COc2cncc3nnc(-c4ccc(-c5ncc[nH]5)c(F)c4)n23)nc1,CUIBPNPIJYAQBG-UHFFFAOYSA-N,4,1,0.522,4,71,417.404,2.787,5,0.437,0.67,1.0,0.6655986567061888,0.6909481872387088,0.672554999657323,0.5931653073812624,0.6555667877458708
EOS-4-05771,Cc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,FMSJZACJPCIBCK-UHFFFAOYSA-N,4,1,0.44,11,490,463.423,3.991,5,0.352,0.64,0.992,0.8353522719484614,0.8710677815091494,0.7047752038928107,0.6870074018230417,0.7745506647933658
EOS-4-05772,Cn1cc(-c2cc(-c3nnc4cncc(OCc5nnc(Cl)cc5C(F)F)n34)ccc2F)cn1,WTTSZYQLFOEXMR-UHFFFAOYSA-N,4,1,0.457,36,394,486.845,4.291,5,0.353,0.66,0.987,0.567361729833459,0.7559968473716675,0.8908059762867521,0.8684034678911657,0.7706420053457611
EOS-4-05773,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncc[nH]4)nc3F)n12,QHNFOPCONVMPHS-UHFFFAOYSA-N,4,1,0.495,65,271,420.383,2.871,5,0.421,0.55,1.0,0.7792646151737372,0.6909567541635254,0.5138098828044685,0.4952624905763827,0.6198234356795285
EOS-4-05774,Fc1ccnc(COc2cncc3nnc(-c4ccc(F)c(-c5cnsc5)c4)n23)c1,QIKPQGQMEYNQRL-UHFFFAOYSA-N,4,1,0.588,97,71,422.42,4.167,5,0.423,0.69,1.0,0.6157048865739154,0.6957113974367761,0.832448084435611,0.8351466657528613,0.744752758549791
EOS-4-05775,N#Cc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ccnnc1,GFBJYIGAEAUXNM-UHFFFAOYSA-N,4,1,0.436,18,773,473.859,3.324,5,0.341,0.53,1.0,0.8472174628195462,0.8594424645329313,0.6563977794530875,0.6606726749366048,0.7559325954355425
EOS-4-05776,CC(=O)NC(C)c1ccc(-c2cncc3nnc(-c4ncncc4-c4ccc(F)c(F)c4)n23)c(F)c1,GTHVVJGBIZSCHC-UHFFFAOYSA-N,4,1,0.318,45,648,489.461,4.53,5,0.39,0.67,0.864,0.2969210472208896,0.31581968336645877,0.9047443629634706,0.8502244534301967,0.5919273867452539
EOS-4-05777,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)nc4F)n23)ccn1,QOJOQMMAUYOGLU-UHFFFAOYSA-N,4,1,0.542,58,28,421.367,3.136,5,0.385,0.63,1.0,0.8329878006990611,0.6809591529024741,0.4961106161332328,0.4616715783702282,0.617932287026249
EOS-4-05779,Cc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ncc1-c1ccnc(Cl)c1,BALDLJLPBQDSAM-UHFFFAOYSA-N,4,1,0.314,85,920,448.849,3.718,5,0.375,0.68,1.0,0.5382598862312384,0.49657323007333287,0.48615584949626484,0.5119080254951682,0.5082242478240011
EOS-4-05780,Cn1cc(-c2ccc(-c3nnc4cncc(COc5ccncc5Cl)n34)nc2C(F)(F)F)nn1,PSCCCNLUCCBYFV-UHFFFAOYSA-N,4,1,0.336,85,920,487.833,3.628,5,0.37,0.52,1.0,0.33739976697964497,0.5056970050030841,0.7979062435748064,0.6870159687478583,0.5820047460763484
EOS-4-05781,Cn1ncnc1-c1ccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cc1,ZSPOZNQPQQYHEC-UHFFFAOYSA-N,4,1,0.519,13,724,439.813,4.311,5,0.415,0.78,1.0,0.692695839901309,0.6859622369954081,0.8307518333219107,0.8331248714961278,0.760633695428689
EOS-4-05782,Fc1ccccc1COc1cncc2nnc(-c3ccc(F)c(-c4ncno4)c3)n12,XZGRYZOCEFBWJL-UHFFFAOYSA-N,4,1,0.549,59,521,406.352,3.699,5,0.439,0.82,1.0,0.9042474813241039,0.7688215338222192,0.8289442121855939,0.826956685628127,0.8322424782400111
EOS-4-05783,COc1nc(C(F)F)ccc1-c1nnc2cncc(OCc3cccc(-c4ccno4)c3)n12,VUCTVBDFEIJXLZ-UHFFFAOYSA-N,4,1,0.489,97,91,450.405,4.367,5,0.36,0.66,1.0,0.6747309985607566,0.5145380714138853,0.7716143513124529,0.6112672195188815,0.6430376602014941
EOS-4-05784,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1cnccn1,WDHBKRWOZHDBLM-UHFFFAOYSA-N,4,1,0.511,35,982,477.887,4.066,5,0.323,0.57,1.0,0.9120433829072716,0.853231444040847,0.7307158522376808,0.6548985676101706,0.7877223116989925
EOS-4-05785,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(F)n1,VWVDZVYPFPYGPZ-UHFFFAOYSA-N,4,1,0.506,58,271,445.433,3.851,5,0.367,0.67,1.0,0.8583972997052978,0.8532400109656638,0.5868943184154616,0.5484202590638064,0.7117379720375574
EOS-4-05786,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)cc1F,BIJGHXGLCUCCNS-UHFFFAOYSA-N,4,1,0.409,54,411,425.387,2.628,5,0.417,0.64,0.999,0.7533668014529504,0.6323161537934343,0.4255876910424234,0.4042731820985539,0.5538859570968405
EOS-4-05787,Clc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)cc4)n23)c(Cl)n1,IIULZWAPDNXPRJ-UHFFFAOYSA-N,4,1,0.528,11,201,464.316,4.572,5,0.364,0.74,1.0,0.892664998971969,0.914767664998972,0.47540435885134674,0.604961962853814,0.7219497464190254
EOS-4-05788,Fc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,NMORCMWLOIQJBZ-UHFFFAOYSA-N,4,1,0.473,65,324,449.837,2.847,5,0.285,0.6,1.0,0.7990199438009732,0.8681121924473991,0.2704492495373861,0.30000514015489,0.559396631485162
EOS-4-05790,Fc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)nc1-c1cscn1,YIBPLDCDNYWKEB-UHFFFAOYSA-N,4,1,0.416,46,915,439.863,4.076,5,0.407,0.66,1.0,0.6592162977177712,0.6089198821191145,0.5342077307929546,0.6081745596600644,0.6026296175724762
EOS-4-05791,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cc1F,XNPUUPPKZNRIJD-UHFFFAOYSA-N,4,1,0.416,0,188,425.826,4.282,5,0.529,0.9,1.0,0.47507881570831334,0.6566890548968543,0.8002535809745733,0.9006065382770201,0.7081569974641903
EOS-4-05792,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4F)n23)c(F)c1,NXHAEUKDAQUNMM-UHFFFAOYSA-N,4,1,0.386,0,21,430.418,3.844,5,0.493,0.91,0.998,0.21014666575286134,0.24429442807209925,0.20288191350832704,0.5252381605099034,0.2956402919607978
EOS-4-05793,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)c1,CZBYKHGSKIHSQD-UHFFFAOYSA-N,4,1,0.518,24,28,441.398,3.701,5,0.384,0.69,1.0,0.5986310054142965,0.7472157494345829,0.6591563292440545,0.6576571174011376,0.6656650503735179
EOS-4-05795,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)cc1F,TYPZICQOCYCMOY-UHFFFAOYSA-N,4,1,0.505,47,164,438.373,3.01,5,0.434,0.65,1.0,0.8926735658967857,0.8295438969227606,0.7229113837296964,0.7174970872455624,0.7906564834487013
EOS-4-05797,Fc1cc(CCOc2cncc3nnc(-c4cnnc(-c5ccnc(F)c5)c4)n23)ccn1,JQWVORTVZOJGHO-UHFFFAOYSA-N,4,1,0.489,58,578,432.394,2.938,5,0.377,0.46,1.0,0.7562795558906175,0.7009029538756768,0.635468782125968,0.614454115550682,0.6767763518607361
EOS-4-05798,OC1c2ncc(Cc3cncc4nnc(-c5ccccn5)n34)CC(F)(F)CCC1nn2,FGINBRWYVROFBK-UHFFFAOYSA-N,4,1,0.382,78,792,424.415,3.026,5,0.694,0.37,0.002,0.22377664313617984,0.23904290315948187,0.059488725926941266,0.12764717976835036,0.16248886299773832
EOS-4-05799,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)c(F)n2)nn1,HTSPDMWBTKHOLL-UHFFFAOYSA-N,4,1,0.494,58,271,433.382,2.333,5,0.372,0.56,0.988,0.8518950037694469,0.7857926118840382,0.3333990130902611,0.34095504077856215,0.5780104173805771
EOS-4-05800,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)c1F,RGFNZVJNXKPYIS-UHFFFAOYSA-N,4,1,0.554,11,201,436.447,4.21,5,0.371,0.72,1.0,0.8798317455966006,0.8995356726749366,0.717531354944829,0.6782434377355905,0.7937855527379892
EOS-4-05801,Fc1ccccc1OCc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12,ISCKAPZZFOTTFB-UHFFFAOYSA-N,4,1,0.435,14,189,422.42,4.167,5,0.423,0.79,1.0,0.512482009457885,0.6138801315879652,0.7508395586320334,0.7648122130080186,0.6605034781714756
EOS-4-05802,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Br)cc4)n23)cc1F)N1CCCC1,AJYOOYLUPIVMPA-UHFFFAOYSA-N,4,1,0.409,0,21,466.314,4.596,5,0.443,0.89,1.0,0.25369234459598383,0.3639572339113152,0.06533993557672538,0.3506013981221301,0.2583977280515386
EOS-4-05803,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,WRVUJHNJQUGADY-UHFFFAOYSA-N,4,1,0.692,11,28,436.447,4.21,5,0.371,0.64,1.0,0.7706976903570695,0.839952710575012,0.6620519498320883,0.6722123226646562,0.7362286683572065
EOS-4-05804,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(CC(F)F)cc4F)n23)cc1F,VXGXHHABDYBEKG-UHFFFAOYSA-N,4,1,0.376,0,188,455.415,4.436,5,0.437,0.82,1.0,0.35584435610993076,0.5281851826468371,0.8851946405318347,0.9130457131108217,0.6705674730998561
EOS-4-05805,N#Cc1nccc(COc2cncc3nnc(-c4cc(-c5ncccn5)cnc4F)n23)n1,VOMZKDQCGYSXDM-UHFFFAOYSA-N,4,1,0.441,7,242,426.375,2.023,5,0.383,0.68,1.0,0.6685542457679391,0.6713299294085395,0.23840038379823178,0.2082705092180111,0.4466387670481804
EOS-4-05806,Fc1cc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)ccc1-c1ncon1,QEYMXQARTVBIME-UHFFFAOYSA-N,4,1,0.483,73,82,442.773,3.142,5,0.378,0.7,1.0,0.8403296552669454,0.790127475841272,0.5408984990747722,0.577522102666027,0.6872194332122541
EOS-4-05807,FC(F)Oc1ccccc1COc1cncc2nnc(-c3ccnc(-c4ncon4)c3)n12,ZNUROXCCVMGJCF-UHFFFAOYSA-N,4,1,0.578,27,420,437.366,3.417,5,0.378,0.72,1.0,0.7680505105887191,0.5559163182783908,0.7047837708176273,0.6204166952230827,0.662291823726955
EOS-4-05808,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,QLQPWCJYFVXSIQ-UHFFFAOYSA-N,4,1,0.512,58,698,455.425,3.744,5,0.36,0.59,1.0,0.765086354602152,0.8399612774998286,0.667115002398739,0.6465201151394695,0.7296706874100474
EOS-4-05810,Fc1cnc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3Cl)n12,RGQXNHLIAPKEDT-UHFFFAOYSA-N,4,1,0.451,87,143,473.255,3.699,5,0.269,0.61,1.0,0.7821945034610376,0.7901360427660887,0.3783239668288671,0.4740165170310465,0.60616775752176
EOS-4-05811,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1nnco1,XHJOKFQCCHWILJ-UHFFFAOYSA-N,4,1,0.57,72,386,421.367,3.136,5,0.385,0.69,1.0,0.9243540538688233,0.8065331368651909,0.6150023987389487,0.593173874306079,0.7347658659447605
EOS-4-05812,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(Cl)n2)cn1,UZSZMPALPOYIOW-UHFFFAOYSA-N,4,1,0.568,58,24,448.849,3.452,5,0.364,0.57,1.0,0.8448187238708793,0.8844835857720512,0.38185353985333426,0.430111027345624,0.6353167192104722
EOS-4-05813,CCOC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C5(F)CCC5)cn4)n23)cc1F,XBWDJXCATPCCND-UHFFFAOYSA-N,4,1,0.341,63,792,436.422,3.913,5,0.438,0.65,0.921,0.2942395997532726,0.36396580083613184,0.21004386265506134,0.3217822630388596,0.29750788157083136
EOS-4-05814,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C#N)c(F)c4)n23)cc1Cl,OXNYUWYMYUNKSU-UHFFFAOYSA-N,4,1,0.392,0,682,420.835,3.872,4,0.54,0.84,1.0,0.4417449112466589,0.514546638338702,0.859579535329998,0.855218970598314,0.6677725138784182
EOS-4-05815,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)c(F)c1,QTYOPBPUOJJDCX-UHFFFAOYSA-N,4,1,0.5,24,28,441.398,3.701,5,0.384,0.61,0.999,0.6592248646425879,0.7150126790487287,0.6449181001987526,0.652131450894387,0.6678217736961141
EOS-4-05816,Fc1nc(-c2ccncn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,UTWZQDQASBEUMT-UHFFFAOYSA-N,4,1,0.468,58,24,449.837,2.847,5,0.285,0.66,1.0,0.8203344527448427,0.8399698444246453,0.2892022479610719,0.3096686313480913,0.5647937941196628
EOS-4-05817,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)cc1F,HMXQEXVNPJCSPZ-UHFFFAOYSA-N,4,1,0.63,88,70,451.412,3.626,5,0.392,0.67,1.0,0.9190511274073059,0.9086166129806045,0.80026214789939,0.8041600986909739,0.8580224967445687
EOS-4-05818,Fc1cnncc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,RVOVBPVPZNRKBA-UHFFFAOYSA-N,4,1,0.527,65,263,449.837,2.847,5,0.385,0.62,1.0,0.8759509286546501,0.9276694537728737,0.34403056678774585,0.39532074566513603,0.6357429237201014
EOS-4-05819,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c(F)n2)nc1,PUTZBAHEPAOIMP-UHFFFAOYSA-N,4,1,0.506,65,263,433.382,2.333,5,0.372,0.7,1.0,0.8496247686930299,0.8179528476458091,0.29286032485778907,0.3030292646151737,0.5658668014529504
EOS-4-05821,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)c1,GYCNTSKEFMRTER-UHFFFAOYSA-N,4,1,0.472,73,564,453.84,4.097,5,0.398,0.65,1.0,0.6987697895963265,0.6274330066479337,0.90029812898362,0.8938643684463026,0.7800913234185457
EOS-4-05822,N#CCCNCc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,CASNVVJMNUPJIY-UHFFFAOYSA-N,4,1,0.59,90,636,419.876,3.422,4,0.436,0.81,1.0,0.7263381536563636,0.5559248852032075,0.5575783016928243,0.564757384689192,0.6011496813103969
EOS-4-05823,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)n1,MUKYWPMEBYGYDX-UHFFFAOYSA-N,4,1,0.5,97,22,423.408,3.562,5,0.399,0.7,1.0,0.7962956617092728,0.7560054142964842,0.544333835926256,0.5218113905832362,0.6546115756288122
EOS-4-05825,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)ncc1Cl,QPDUUMAPUXUKGB-UHFFFAOYSA-N,4,1,0.568,97,22,438.875,4.681,5,0.396,0.7,1.0,0.7414159413336988,0.8179614145706258,0.7645038037146186,0.7720940991021863,0.7739938146802823
EOS-4-05826,CC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,SESKQYHWGRWYQM-UHFFFAOYSA-N,4,1,0.352,0,688,438.413,3.996,5,0.509,0.9,1.0,0.27747412788705367,0.4163011445411555,0.7955760400246727,0.7467617024192996,0.5590282537180453
EOS-4-05827,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4)n23)ccn1,SZMQFZURCHICCA-UHFFFAOYSA-N,4,1,0.543,35,578,413.416,3.404,5,0.394,0.78,1.0,0.8125385511616751,0.8650538002878487,0.611952573504215,0.5712682475498595,0.7152032931258996
EOS-4-05829,Cc1cnc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)cn1,DKXZTUPWEOLAON-UHFFFAOYSA-N,4,1,0.512,73,82,432.394,3.204,5,0.417,0.76,1.0,0.8255688438078267,0.7381433760537317,0.5068792406277842,0.4553663217051607,0.631489445548626
EOS-4-05830,COc1cc(-c2nnc3cncc(CN(C)c4ccc(F)c(F)c4)n23)ccc1-c1cscn1,CGVWZFRDWCTZQS-UHFFFAOYSA-N,4,1,0.443,14,257,464.501,4.838,5,0.358,0.75,1.0,0.4282006031115071,0.4021742855184703,0.8124614488383249,0.6782520046604071,0.5802720855321774
EOS-4-05831,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)ccc1F,HPKBIEYUJBKJSC-UHFFFAOYSA-N,4,1,0.523,75,43,429.44,3.9,5,0.417,0.77,1.0,0.6987783565211432,0.6713384963333562,0.6620605167569049,0.6172297991912823,0.6623517922006716
EOS-4-05832,Fc1cc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)ccc1-c1cscn1,LZQXBRABVUDGIZ-UHFFFAOYSA-N,4,1,0.548,4,71,439.863,4.076,5,0.381,0.72,1.0,0.7878401069152217,0.8141234322527585,0.6209307107120828,0.6377475841272017,0.7151604585018162
EOS-4-05833,NC(=O)c1ccc(-c2nnc3cncc(-c4ncnnc4-c4ccc(F)c(F)c4)n23)cc1F,MCFYUBOCTGKYGH-UHFFFAOYSA-N,4,1,0.388,45,730,448.368,2.827,5,0.448,0.7,0.991,0.32487492289767667,0.36397436776094855,0.7149441436501953,0.7493317798642999,0.5382813035432801
EOS-4-05834,CCn1cnnc1-c1cc(-c2nnc3cncc(OCC(F)c4ccc(F)cn4)n23)ccc1F,NGVGHBQUWJENHX-UHFFFAOYSA-N,4,1,0.432,37,908,466.427,3.833,5,0.36,0.54,0.999,0.7204184086080461,0.8330906037968611,0.7098639572339113,0.6752021794256734,0.734643787266123
EOS-4-05835,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)nnc1Cl,VNTCBFWQTASVSH-UHFFFAOYSA-N,4,1,0.535,43,483,447.861,4.323,5,0.396,0.68,1.0,0.8816822013570009,0.8817421698307175,0.6863220478377082,0.7123055308066616,0.790512987458022
EOS-4-05837,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccc(F)nn1,FGMKKSPNSHNLIQ-UHFFFAOYSA-N,4,1,0.521,72,729,461.432,3.552,5,0.339,0.63,1.0,0.9319357823315743,0.8295524638475773,0.702290795695977,0.5960866287437462,0.7649664176547187
EOS-4-05839,O=C(NCc1ccc(Cl)cc1)c1ccc(-c2nnc3cncc(Br)n23)cc1,ORACZRUEQIENNL-UHFFFAOYSA-N,4,1,0.603,48,646,442.704,4.137,4,0.516,0.93,1.0,0.47508738263313,0.46498697827427865,0.7508481255568501,0.754386265506134,0.6113271879925981
EOS-4-05840,COc1cc(-c2nnc3cncc(OCCc4cc(F)cc(F)c4)n23)ccc1-c1cncs1,NNQQMSGSXKJHBJ-UHFFFAOYSA-N,4,1,0.598,91,103,465.485,4.823,5,0.343,0.71,1.0,0.8926821328216024,0.8434908505242958,0.8610102117743814,0.7976835035295731,0.8487166746624633
EOS-4-05841,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCCF)c(F)c4)n23)cc1Cl,BJOXKNDQGIIHSZ-UHFFFAOYSA-N,4,1,0.375,0,682,470.867,3.31,4,0.45,0.87,1.0,0.4119662805839216,0.44290144609690907,0.6061270646288808,0.5584521280241245,0.504861729833459
EOS-4-05842,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cc1F,JTYOLZAYCRWZPN-UHFFFAOYSA-N,4,1,0.543,90,636,442.401,2.785,4,0.451,0.77,1.0,0.7263467205811802,0.42966554725515727,0.5175022274004524,0.46464430128161194,0.5345396991296005
EOS-4-05843,Cc1cc(-c2nnc3cncc(OCc4cnc(C#N)c(F)c4)n23)ccc1-c1ncco1,APXQQQOBHYZPCU-UHFFFAOYSA-N,4,1,0.517,97,409,427.399,3.74,5,0.417,0.64,1.0,0.8380080186416284,0.7104379411966281,0.712502570077445,0.5989565485573298,0.7149762696182578
EOS-4-05844,N#Cc1nc(-c2cnco2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3)n12,WMJHNPSOGPJZLY-UHFFFAOYSA-N,4,1,0.5,35,619,428.387,2.869,5,0.401,0.7,1.0,0.8854345144267014,0.7814320471523541,0.4720889589472963,0.4394232746213419,0.6445946987869234
EOS-4-05845,N=c1ncc(-c2cnc(-c3cncc4nnc(-c5ncncc5-c5cccc(F)c5)n34)cn2)c[nH]1,LHUZTWHUCZPZOX-UHFFFAOYSA-N,4,1,0.287,94,72,463.44,2.714,6,0.406,0.63,0.989,0.11630457131108217,0.1901257624563087,0.35913405523953124,0.38940956754163525,0.2637434891371393
EOS-4-05846,Cc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,QQINPTLYVRHLNN-UHFFFAOYSA-N,4,1,0.5,72,386,445.433,3.851,5,0.367,0.65,1.0,0.8673583030635323,0.8219450346103763,0.7281372078678637,0.672220889589473,0.7724153587828113
EOS-4-05847,Fc1cnc(CCOc2cncc3nnc(-c4cncnc4-c4cc(F)ccn4)n23)nc1,ICVBINMJHVGSAJ-UHFFFAOYSA-N,4,1,0.435,51,795,433.382,2.333,5,0.398,0.68,1.0,0.6471455006510863,0.5652885340278254,0.21674319786169557,0.2728137207867864,0.42549773833184845
EOS-4-05848,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCCc4ccc(F)cc4F)n23)cc1F,LVQHRNYSEGFGDG-UHFFFAOYSA-N,4,1,0.358,14,291,463.467,3.941,5,0.37,0.76,1.0,0.28308546364197107,0.34488725926941266,0.7955846069494894,0.7932372695497224,0.5541986498526489
EOS-4-05849,COc1ccc(Oc2cncc3nnc(-c4ccc(-c5nncc(C)n5)c(F)c4)n23)cc1F,MVRKRCZDISFDMJ-UHFFFAOYSA-N,4,1,0.517,13,374,447.405,4.031,5,0.398,0.78,1.0,0.8074497978205744,0.7560139812213008,0.7281457747926804,0.6377561510520183,0.7323414262216434
EOS-4-05850,Fc1ccc(-c2nnc3cncc(OCc4csc(Cl)n4)n23)cc1-c1nccs1,LLKHDPKIMXMKPA-UHFFFAOYSA-N,4,1,0.554,4,31,444.904,4.743,5,0.389,0.74,1.0,0.7590209718319512,0.8561870331025975,0.5342162977177712,0.590029812898362,0.6848635288876704
EOS-4-05851,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ncc(Cl)cn3)n12,PAWHMNDOHHKTDK-UHFFFAOYSA-N,4,1,0.529,37,795,448.849,3.452,5,0.389,0.66,1.0,0.8738691659241998,0.9086251799054211,0.432792474813241,0.5119165924199849,0.6818008532657117
EOS-4-05852,FC(F)Cc1nc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1ccsc1,LYPBOGFFMWWGGQ-UHFFFAOYSA-N,4,1,0.423,27,122,484.919,5.35,5,0.29,0.62,0.994,0.5811202110890274,0.6760674388321568,0.7716229182372696,0.7839335891988212,0.7031860393393187
EOS-4-05853,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)c(F)c1,OSKBFIYIFDKPJQ-UHFFFAOYSA-N,4,1,0.451,73,353,438.373,2.978,5,0.389,0.72,1.0,0.7263552875059969,0.7472243163593997,0.6061356315536974,0.5681413199917758,0.6619641388527175
EOS-4-05854,Fc1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1nc[nH]n1,BPQOZQQZSTXHNC-UHFFFAOYSA-N,4,1,0.479,47,164,438.373,3.01,5,0.434,0.66,1.0,0.8962631073949695,0.8468747858268796,0.6755619902679734,0.6929185799465424,0.7779046158590912
EOS-4-05855,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(OC(F)F)ncn4)n23)cc1F,NYAJKKHIXRTROK-UHFFFAOYSA-N,4,1,0.474,27,353,468.399,3.301,5,0.358,0.67,1.0,0.7504540470152834,0.8179699814954424,0.7645123706394352,0.6576656843259544,0.7476505208690288
EOS-4-05856,NC(c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1)C(F)F,ASMXRMLHZDJKCM-UHFFFAOYSA-N,4,1,0.368,0,188,470.43,3.894,5,0.417,0.75,0.999,0.3583116304571311,0.5145552052635186,0.9231546843944898,0.932689671715441,0.6821777979576451
EOS-4-05857,N#Cc1cc(-c2cncs2)cc(-c2nnc3cncc(OCc4ccncc4F)n23)c1,AFVVNCZZCSNAHD-UHFFFAOYSA-N,4,1,0.5,97,91,429.44,3.9,5,0.417,0.72,1.0,0.7822030703858543,0.6713470632581728,0.8341529024741279,0.8041686656157906,0.7729679254334865
EOS-4-05858,Cc1nc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)ccc1F,HIPYOSRJBXENET-UHFFFAOYSA-N,4,1,0.5,2,904,445.433,3.851,5,0.392,0.62,1.0,0.7792731820985539,0.7334829689534644,0.7204184086080461,0.6722294565142897,0.7263510040435885
EOS-4-05859,COc1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1-c1cccnn1,YCJIRAFXKYXTAP-UHFFFAOYSA-N,4,1,0.438,4,224,448.393,2.904,5,0.362,0.64,1.0,0.8255774107326435,0.7150212459735453,0.517510794325269,0.4110924542526215,0.6173004763210197
EOS-4-05860,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5nnco5)c4)n23)c(Cl)n1,IARPDWNVWCKEJK-UHFFFAOYSA-N,4,1,0.448,2,875,424.783,3.003,5,0.392,0.7,1.0,0.6531252141731204,0.5948358577205126,0.5275255294359537,0.5422520731958056,0.5794346686313481
EOS-4-05861,Clc1ccc(-c2nnc3cncc(OCCCc4ccc(Cl)s4)n23)cc1,KYKIXDFKNCAGTA-UHFFFAOYSA-N,4,1,0.635,90,400,405.31,5.171,4,0.415,0.86,1.0,0.9832259612089644,0.9836114728257145,0.67557055719279,0.8290041806593106,0.8678530429716949
EOS-4-05862,Fc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,DMHWKQQAGIPQGS-UHFFFAOYSA-N,4,1,0.529,35,143,455.425,3.744,5,0.36,0.59,1.0,0.7504626139401,0.8681207593722158,0.6809505859776575,0.6576742512507711,0.739302052635186
EOS-4-05863,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5cccnc5-c5ncccn5)n34)ccn2)nc1,BPPHZTOLGZWKLZ-UHFFFAOYSA-N,4,1,0.478,28,942,493.918,4.333,6,0.334,0.61,1.0,0.8329963676238777,0.7241621547529299,0.3818621067781509,0.4077856212733877,0.5867015626070866
EOS-4-05864,COc1cc(-c2nnc3cncc(CNc4ccc(-c5nncs5)c(F)c4)n23)ccc1Cl,ZSLCMZVTPJVFRA-UHFFFAOYSA-N,4,1,0.376,14,471,467.917,4.723,5,0.386,0.8,1.0,0.30709855390309093,0.44750188472345964,0.7073281474881776,0.6693252690014393,0.5328134637790418
EOS-4-05865,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)c1Cl,BJMGXRYKCYHVCU-UHFFFAOYSA-N,4,1,0.516,47,164,471.283,4.039,5,0.373,0.72,1.0,0.8909259132341855,0.897308272222603,0.7508566924816668,0.8062761291206908,0.8363417517647864
EOS-4-05867,CCc1nc(-c2nnc3cncc(COc4ccc(F)cc4F)n23)ccc1-c1ncccn1,HETPGVNFMPOBLI-UHFFFAOYSA-N,4,1,0.347,14,920,445.433,4.063,5,0.389,0.67,1.0,0.5930453704338291,0.5652971009526421,0.4861644164210815,0.48305462271263105,0.5318903776300459
EOS-4-05870,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)ccn1,IUQIMVNYRYEJLN-UHFFFAOYSA-N,4,1,0.59,11,595,436.447,4.21,5,0.371,0.73,1.0,0.9230176135974231,0.9147762319237887,0.7255242957987801,0.7148927421012953,0.8195527208553218
EOS-4-05871,O=C(c1ccc(-c2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1)N1CCOCC1,KWZLVSGTFTWQOA-UHFFFAOYSA-N,4,1,0.612,0,901,451.433,3.532,5,0.462,0.91,1.0,0.2804125830991707,0.17312898362003976,0.2560482489205675,0.41110102117743813,0.28017270920430404
EOS-4-05872,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)ccn1,SYXRPKXDLPPNAB-UHFFFAOYSA-N,4,1,0.588,72,386,421.367,3.136,5,0.385,0.71,1.0,0.9281406346377904,0.8102340483859913,0.6620690836817216,0.6287266122952505,0.7572925947501885
EOS-4-05874,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)c1,BBQDDARJMHIWTM-UHFFFAOYSA-N,4,1,0.5,58,262,432.394,2.938,5,0.377,0.67,1.0,0.8304776917277774,0.8500188472345966,0.37045952984716607,0.38279590158316773,0.608437992598177
EOS-4-05876,Cc1cc(-c2nnc3cncc(-c4ccc(Oc5cccc(F)n5)cc4)n23)ccc1C(N)=O,ZMRZZDNKKYCQNJ-UHFFFAOYSA-N,4,1,0.347,62,3,440.438,4.192,5,0.411,0.78,1.0,0.4924611061613323,0.4343430882050579,0.6835035295730245,0.5809231718182442,0.5478077239394148
EOS-4-05877,N#Cc1ccc(COc2cncc3nnc(-c4cc(F)nc(-c5ccccn5)c4)n23)nc1,MYLMIGCYMRHSHY-UHFFFAOYSA-N,4,1,0.57,24,912,424.399,3.233,5,0.395,0.71,0.99,0.6129891714070317,0.6616921389897882,0.6387927489548352,0.601869302994997,0.628835840586663
EOS-4-05878,COc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cc1Cl,JQCMIALRUYRHCS-UHFFFAOYSA-N,4,1,0.407,0,21,451.889,4.495,5,0.457,0.88,1.0,0.317541635254609,0.3397899390034953,0.11857480638749915,0.3733722842848331,0.2873196662326091
EOS-4-05879,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1C,QPAHEIRZKVMTFM-UHFFFAOYSA-N,4,1,0.756,48,378,439.878,3.873,4,0.493,0.81,1.0,0.7109091220615448,0.4965817969981495,0.7716314851620862,0.687024535672675,0.6665367349736139
EOS-4-05880,Fc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)ccc1-c1ncon1,ZRYNPTKVOIWKSP-UHFFFAOYSA-N,4,1,0.53,27,52,440.345,3.287,5,0.392,0.63,1.0,0.7414245082585155,0.7241707216777465,0.6781063669385238,0.6049705297786306,0.687168031663354
EOS-4-05881,CCc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1ncccc1F,OSSZELVWBVNWEB-UHFFFAOYSA-N,4,1,0.427,46,267,463.423,4.202,5,0.349,0.64,0.926,0.5959067233225961,0.6957199643615928,0.6061441984785142,0.6112757864436982,0.6272616681516003
EOS-4-05882,Fc1ncccc1-c1nccnc1-c1nnc2cncc(OCc3nccnc3F)n12,BCUBMQIBJNIJLO-UHFFFAOYSA-N,4,1,0.433,7,970,419.355,2.29,5,0.396,0.58,0.606,0.5230107600575697,0.49157871290521554,0.21005242957987802,0.24902337057089988,0.36841631827839083
EOS-4-05883,COc1cc(-c2nnc3cncc(OCCc4cc(F)nc(F)c4)n23)ccc1-c1cccnn1,URCCCDKVIGJVTI-UHFFFAOYSA-N,4,1,0.537,72,925,461.432,3.552,5,0.339,0.62,1.0,0.9307107120827908,0.7730193269823864,0.7073367144129943,0.5960951956685628,0.7517904872866835
EOS-4-05884,Cc1nc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1ncccn1,GECDVESUVQRBPB-UHFFFAOYSA-N,4,1,0.411,46,242,448.849,3.718,5,0.375,0.59,1.0,0.844827290795696,0.6809677198272908,0.47209752587211296,0.4646528682064286,0.6156363511753821
EOS-4-05885,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cn2)ccc1C#N,BPPRUNFXLALFCL-UHFFFAOYSA-N,4,1,0.522,35,201,451.465,4.189,5,0.381,0.74,1.0,0.9351569460626413,0.9397231169899253,0.8307604002467275,0.7839421561236378,0.8723956548557329
EOS-4-05886,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)nc1,ADRSLNNDYMUHID-UHFFFAOYSA-N,4,1,0.548,97,109,429.415,3.37,5,0.405,0.79,1.0,0.9089421561236378,0.839978411349462,0.5443424028510726,0.4585703515865945,0.6879583304776917
EOS-4-05887,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)n1,FCNKNWKYXOHOQD-UHFFFAOYSA-N,4,1,0.608,43,96,418.407,4.049,5,0.431,0.77,1.0,0.8541224042217805,0.7600404358851347,0.8750942361729833,0.8552275375231307,0.8361211534507573
EOS-4-05888,Cc1ncncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)c(F)c1,CUDLJLXSOLNACH-UHFFFAOYSA-N,4,1,0.563,35,234,427.443,3.712,5,0.408,0.75,1.0,0.8854430813515181,0.8623209512713317,0.6209392776368995,0.5615961894318415,0.7325748749228977
EOS-4-05889,Fc1cc(Cl)cc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1,GVZXUFRLZXRGHT-UHFFFAOYSA-N,4,1,0.519,59,16,438.875,4.681,5,0.396,0.73,1.0,0.647154067575903,0.6909653210883421,0.7808409293400042,0.8130268658762251,0.7329967959701186
EOS-4-05890,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncco4)nc3F)n12,CDTGZAKJCOMLBK-UHFFFAOYSA-N,4,1,0.524,58,28,421.367,3.136,5,0.385,0.64,1.0,0.785124391748338,0.637199300938935,0.5068878075526009,0.4769292714687136,0.6015351929271469
EOS-4-05892,O=C(NCCC(F)(F)F)c1ccc(-c2nnc3cncc(-c4ncc(F)cn4)n23)cc1,QDVOEVSNKMNHGL-UHFFFAOYSA-N,4,1,0.357,66,437,431.353,3.07,4,0.488,0.85,1.0,0.2561253512439175,0.3054537043382907,0.757299019943801,0.6549071345349873,0.4934463025152491
EOS-4-05893,CC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(C(N)=O)c(F)c4)n23)cc1,VHSFDWZMQDKEHA-UHFFFAOYSA-N,4,1,0.409,0,999,397.36,3.808,4,0.567,0.88,1.0,0.4211328901377562,0.48233500102803095,0.979653553560414,0.9528390788842437,0.7089901309026112
EOS-4-05894,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)cc1C#N,WMJZWQPQWWTOAY-UHFFFAOYSA-N,4,1,0.506,43,521,459.872,4.435,5,0.386,0.74,0.999,0.8496333356178466,0.8024467137276403,0.9359022685216914,0.9258961003358235,0.8784696045507505
EOS-4-05895,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)c(F)c2)cn1,QFBFBYUGLADGDO-UHFFFAOYSA-N,4,1,0.679,91,322,448.889,4.606,5,0.379,0.84,1.0,0.7707062572818861,0.8792663285587006,0.8670241929956822,0.8716588993214995,0.8471639195394421
EOS-4-05896,Fc1cc(F)c(Oc2cncc3nnc(-c4cc(-c5ncon5)ncn4)n23)c(F)c1,UOPACNOSYVMXPD-UHFFFAOYSA-N,4,1,0.372,46,971,412.291,2.841,5,0.439,0.55,1.0,0.6625573983962717,0.5145637721883353,0.5998732095127133,0.617238366116099,0.5985581865533548
EOS-4-05897,COc1ccc(F)cc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)nn1,JOWCYFHUYSETBY-UHFFFAOYSA-N,4,1,0.436,54,691,465.395,3.648,5,0.351,0.69,0.985,0.5841700363237612,0.646999862929203,0.7596977588924679,0.717505654170379,0.6770933280789528
EOS-4-05898,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cc[nH]n5)nc4Cl)n23)c(F)cn1,DIQNPAFFYXFWQR-UHFFFAOYSA-N,4,1,0.489,58,271,454.828,3.525,5,0.391,0.5,1.0,0.8255859776574601,0.8623295181961483,0.6671235693235557,0.6955400589404427,0.7626447810294017
EOS-4-05899,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(OC(F)F)c4)n23)cc1C,ZCGJWWBYPXDGGK-UHFFFAOYSA-N,4,1,0.414,0,999,423.423,4.118,4,0.505,0.87,1.0,0.5754917414844767,0.5698804057295593,0.8002707148242068,0.6842317181824412,0.657468645055171
EOS-4-05900,CCc1nc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1-c1ccccn1,RVKZWHKIBZNRRC-UHFFFAOYSA-N,4,1,0.435,44,332,460.9,5.182,5,0.347,0.73,0.995,0.6897659516140087,0.7515677472414503,0.6835120964978412,0.7227571790829964,0.7119007436090742
EOS-4-05901,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(Cl)nc(-c5nnco5)c4)n23)n1,QMVHUGKOCQGAHD-UHFFFAOYSA-N,4,1,0.441,73,964,443.761,2.537,5,0.295,0.61,0.993,0.6440442738674526,0.632324720718251,0.3334075800150778,0.3828044685079844,0.4981452607771914
EOS-4-05902,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12,GNLRWJRMJWYHTD-UHFFFAOYSA-N,4,1,0.671,19,386,436.447,4.21,5,0.397,0.78,1.0,0.677917894592557,0.7858011788088548,0.7760691522171201,0.7976920704543897,0.7593700740182303
EOS-4-05903,Fc1cnc(F)c(F)c1COc1cncc2nnc(-c3cc(-c4nc[nH]n4)ccn3)n12,JHBIAPPHYGRZQA-UHFFFAOYSA-N,4,1,0.385,46,949,425.334,2.363,5,0.426,0.58,0.999,0.6531337810979371,0.5374631622232884,0.6029144678226304,0.5744637105064766,0.5919937804125831
EOS-4-05904,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)c(F)c4)n23)cc1F,XMMDSFAUNZRLRY-UHFFFAOYSA-N,4,1,0.364,0,188,452.396,2.629,5,0.512,0.89,1.0,0.3744174491124666,0.4163097114659722,0.4255962579672401,0.5287334658351038,0.4362642210951957
EOS-4-05905,Fc1ncc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)n1,QAJRYMHXDLTVDO-UHFFFAOYSA-N,4,1,0.511,73,325,440.345,2.67,5,0.367,0.66,1.0,0.8584058666301144,0.7771914193681037,0.454869440065794,0.4646614351312453,0.6387820402988144
EOS-4-05906,Cn1cncc1-c1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1F,JYXGGAQIVAYGSY-UHFFFAOYSA-N,4,1,0.413,44,910,437.385,3.583,5,0.418,0.66,0.999,0.6412257556027688,0.5281937495716538,0.8124700157631417,0.8020012336371736,0.6959726886436846
EOS-4-05907,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4Cl)n23)cc1F,AWNTYHRZECAQPO-UHFFFAOYSA-N,4,1,0.517,37,832,455.812,3.789,5,0.381,0.64,1.0,0.8231101363854431,0.8179785484202591,0.7458707422383661,0.769755328627236,0.7891786889178262
EOS-4-05908,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(Cc3ccc(Cl)nn3)n12,PDKQOEIFZZJCLF-UHFFFAOYSA-N,4,1,0.354,22,487,424.852,3.483,5,0.435,0.66,1.0,0.3511325474607635,0.47368240696319647,0.38929819751901856,0.5154632992940854,0.432394112809266
EOS-4-05909,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4Cl)n23)c1Cl,BSNRBVXOWJJESQ-UHFFFAOYSA-N,4,1,0.511,37,832,471.283,4.039,5,0.373,0.66,1.0,0.8203430196696594,0.8561956000274141,0.7955931738743061,0.8484510999931465,0.8301457233911315
EOS-4-05910,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1cocn1,WHTLNHQYNAGNGQ-UHFFFAOYSA-N,4,1,0.522,11,490,437.822,3.65,5,0.371,0.71,1.0,0.9295970118566239,0.8594510314577479,0.5546141457062573,0.5712768144746762,0.7287347508738263
EOS-4-05911,N#Cc1nc(CCOc2cncc3nnc(-c4cncnc4-c4ccccc4)n23)ccc1F,LAVMVDMFOMEMCZ-UHFFFAOYSA-N,4,1,0.468,11,275,438.426,3.276,5,0.397,0.64,1.0,0.8607617709546981,0.8179871153450757,0.46507264752244537,0.4740250839558632,0.6544616544445206
EOS-4-05912,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,PVSXULFQFZNTRK-UHFFFAOYSA-N,4,1,0.516,58,262,448.849,3.452,5,0.364,0.66,1.0,0.8835669248166678,0.8973168391474197,0.3666129806044822,0.41740627784250567,0.6412257556027688
EOS-4-05913,Cc1nnc(-c2cccc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)s1,NWUPMZSTOXLIAP-UHFFFAOYSA-N,4,1,0.724,1,431,466.473,4.799,5,0.341,0.78,1.0,0.8231187033102597,0.829561030772394,0.7737303817421698,0.7010228908231101,0.7818582516619834
EOS-4-05914,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)nc(CF)n4)n23)cc1F,NATVWJWDVJLEDI-UHFFFAOYSA-N,4,1,0.324,96,155,462.395,3.157,5,0.398,0.63,0.892,0.29424816667808923,0.3448958261942293,0.5511531080803235,0.5354156671921048,0.43142819203618665
EOS-4-05915,Cn1ncnc1-c1cccc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)c1,SLFUCJNBVHMMFA-UHFFFAOYSA-N,4,1,0.482,13,724,439.813,4.311,5,0.415,0.72,1.0,0.5560105544513742,0.5994020286477966,0.8161794942087588,0.8249263244465767,0.6991296004386266
EOS-4-05916,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cnc(C)s1,DHDSSMLUULJSKN-UHFFFAOYSA-N,4,1,0.658,43,96,465.485,5.089,5,0.348,0.73,1.0,0.9393290384483586,0.8792748954835172,0.8763278733465835,0.7839507230484545,0.8697206325817284
EOS-4-05917,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,KUYJQNDUFXSFCR-UHFFFAOYSA-N,4,1,0.588,84,749,436.447,4.21,5,0.397,0.69,1.0,0.835360838873278,0.862338085120965,0.7175399218696457,0.7175142210951957,0.7831882667397712
EOS-4-05918,Clc1ccnc(-c2cc(-c3nnc4cncc(OCCc5c(Cl)cncc5Cl)n34)ccn2)c1,DQXBJIPJOYBCFA-UHFFFAOYSA-N,4,1,0.57,75,559,498.761,5.225,5,0.317,0.61,1.0,0.8125471180864917,0.7939911589335892,0.7956017407991227,0.8786152422726338,0.8201888150229594
EOS-4-05919,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)c(F)c3)n12,MFNRVDNYTFZRNV-UHFFFAOYSA-N,4,1,0.565,37,161,421.367,3.136,5,0.412,0.68,1.0,0.8946439586046193,0.7560225481461175,0.6699420875882394,0.6465286820642862,0.7417843191008155
EOS-4-05921,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(CF)n5)n34)ccc2F)cn1,GTXLVPDHRSKAOT-UHFFFAOYSA-N,4,1,0.479,7,911,446.421,3.534,5,0.39,0.69,1.0,0.7324806387499143,0.7009115208004935,0.42560482489205675,0.37652491261736687,0.5588804742649578
EOS-4-05922,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4Cl)n23)n1,WTUSVUWYIINQIS-UHFFFAOYSA-N,4,1,0.517,20,846,465.304,3.967,5,0.347,0.68,1.0,0.807458364745391,0.8950723048454526,0.5101261051333014,0.5869457199643616,0.6999006236721266
EOS-4-05923,Clc1cc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,GOFQJRFFFKOMKD-UHFFFAOYSA-N,4,1,0.536,65,795,430.859,3.313,5,0.404,0.73,1.0,0.7263638544308135,0.8681293262970324,0.3184754300596258,0.37972037557398397,0.5731722465903639
EOS-4-05924,N#Cc1cc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)ccc1-c1cscn1,QKFJXGHYMIBSFT-UHFFFAOYSA-N,4,1,0.494,97,666,463.885,4.553,5,0.376,0.66,0.997,0.7533753683777671,0.8295695976972106,0.8438506613665958,0.8535912548831471,0.8200967205811802
EOS-4-05926,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,WGKCPNDHIXIQLB-UHFFFAOYSA-N,4,1,0.703,11,28,452.902,4.724,5,0.347,0.67,1.0,0.8873363717360017,0.9461311767527928,0.6119611404290316,0.6664296484134056,0.7779645843328079
EOS-4-05927,COc1cc(-c2nnc3cncc(COc4cc(C)ccn4)n23)ccc1-c1cncc(F)c1,DEOHDZIKENLETH-UHFFFAOYSA-N,4,1,0.39,14,351,442.454,4.283,5,0.388,0.67,1.0,0.6716897402508396,0.6323332876430676,0.7435662394626825,0.608183126584881,0.6639430984853677
EOS-4-05928,Fc1cc(-c2nnc(C(F)F)s2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,ZJWLGTJPXPOWIA-UHFFFAOYSA-N,4,1,0.523,37,795,470.44,3.798,5,0.354,0.55,1.0,0.6987869234459598,0.8141319991775752,0.34805702145157974,0.3313857857583442,0.5480904324583646
EOS-4-05929,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cnc5F)n34)cc2F)n1,QYTPZNHOTXSJFO-UHFFFAOYSA-N,4,1,0.539,37,919,451.412,3.626,5,0.367,0.61,1.0,0.842608457268179,0.8065417037900076,0.8103368514837914,0.7768487423754369,0.8090839387293537
EOS-4-05930,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nc(F)c(F)cc4Cl)n23)cc1F,YPBKFSWUVBDSHI-UHFFFAOYSA-N,4,1,0.483,73,526,471.83,4.237,5,0.357,0.66,1.0,0.7792817490233706,0.8399869782742787,0.8638287300390651,0.8636145569186485,0.8366780035638407
EOS-4-05931,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)c(F)c4)n23)cc1F,CYWNEZLXMQMCJI-UHFFFAOYSA-N,4,1,0.5,37,563,438.373,3.01,5,0.434,0.67,1.0,0.8125556850113084,0.7600490028099514,0.7760777191419368,0.7768573093002535,0.7813849290658625
EOS-4-05932,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)c1F,ZXGACYZAFBNGIT-UHFFFAOYSA-N,4,1,0.522,87,262,432.394,2.938,5,0.403,0.67,1.0,0.8021811390583237,0.8500274141594133,0.4180830649030224,0.4174148447673223,0.6219266157220203
EOS-4-05933,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1C#N,ZUEJYWXNISFMJC-UHFFFAOYSA-N,4,1,0.658,43,96,443.417,3.921,5,0.409,0.69,1.0,0.9009920498937701,0.7560311150709341,0.9393376053731752,0.9130542800356384,0.8773537625933795
EOS-4-05935,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)nn2)nn1,FJQWJKDFYVSMBW-UHFFFAOYSA-N,4,1,0.466,54,411,433.382,2.333,5,0.398,0.61,0.998,0.7533839353025837,0.6470084298540196,0.3367058460694949,0.36997978205743265,0.5267694983208827
EOS-4-05936,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)cc1F,LJNACAFMOZQUJC-UHFFFAOYSA-N,4,1,0.478,47,164,438.373,3.01,5,0.434,0.69,1.0,0.847226029744363,0.8257401823041601,0.7204269755328627,0.7123140977314784,0.7764268213282159
EOS-4-05937,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5c(F)cncc5F)n34)cn2)ccn1,VKOZDPLIZOXISQ-UHFFFAOYSA-N,4,1,0.544,35,559,445.433,3.851,5,0.392,0.68,1.0,0.869560002741416,0.8735264889315332,0.704792337742444,0.6493043657048866,0.7742957987800699
EOS-4-05938,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ccncn5)c4)n23)c1,XZQYLYOEEADRNE-UHFFFAOYSA-N,4,1,0.529,75,530,414.404,2.799,5,0.418,0.66,1.0,0.8472345966691797,0.6859708039202248,0.45113426084572683,0.4207987800699061,0.6012846103762594
EOS-4-05939,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ccncn5)c4)n23)ccn1,DGPBZRSLNQYLOX-UHFFFAOYSA-N,4,1,0.549,75,583,414.404,2.799,5,0.391,0.63,1.0,0.867366869988349,0.7104465081214447,0.46884209444177916,0.417423411692139,0.616019721060928
EOS-4-05941,Fc1cc(-c2cscn2)cnc1Oc1cncc2nnc(-c3ccc(Cl)cn3)n12,RJZUKJRFOLSYHM-UHFFFAOYSA-N,4,1,0.36,46,110,425.836,4.29,5,0.424,0.75,1.0,0.6716983071756563,0.7334915358782811,0.560782331574258,0.6112843533685148,0.6443141319991775
EOS-4-05942,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)cc1,VZNFKAQOEROQFK-UHFFFAOYSA-N,4,1,0.436,23,678,424.867,3.946,4,0.489,0.84,1.0,0.3967685559591529,0.4429100130217257,0.6620776506065382,0.5931824412308958,0.5237346652045781
EOS-4-05943,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)n2)nc1,QPLGNZIWWQLRBK-UHFFFAOYSA-N,4,1,0.461,73,775,453.8,2.944,5,0.37,0.6,1.0,0.6987954903707765,0.7730278939072031,0.37444314988691657,0.4394318415461586,0.5714245939277637
EOS-4-05944,Fc1cc(-c2nnco2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,XKTLBDRFPWOXRG-UHFFFAOYSA-N,4,1,0.547,37,161,421.367,3.136,5,0.412,0.7,1.0,0.732489205674731,0.5559334521280241,0.662086217531355,0.6465372489891029,0.6492615310808033
EOS-4-05945,Clc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cscn1,CCWXMJGOWYUDRI-UHFFFAOYSA-N,4,1,0.625,35,201,434.912,4.585,5,0.389,0.74,1.0,0.8835754917414845,0.8817507367555343,0.632453224590501,0.6636796655472551,0.7653647796586938
EOS-4-05946,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccncc1,MTJYGBPMYRVJPF-UHFFFAOYSA-N,4,1,0.561,35,103,458.909,4.532,5,0.331,0.75,1.0,0.8607703378795147,0.7771999862929203,0.7531012267836338,0.6842402851072579,0.7688279590158317
EOS-4-05947,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3cc(Cl)nnn3)n12,SWEJJZQGRYDHJG-UHFFFAOYSA-N,4,1,0.457,72,820,435.81,2.805,5,0.41,0.69,1.0,0.7414330751833322,0.8399955451990954,0.4328010417380577,0.5084384209444178,0.6306670207662258
EOS-4-05948,O=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)o1,BTLPGQYBIUYDBZ-UHFFFAOYSA-N,4,1,0.556,37,626,437.366,2.429,5,0.402,0.6,1.0,0.7533925022274005,0.5418751285038722,0.554622712631074,0.52524672743472,0.5937842676992667
EOS-4-05949,Fc1ncc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3Cl)n12,BCFOLNUGGMLGIM-UHFFFAOYSA-N,4,1,0.453,58,28,483.294,4.106,5,0.333,0.55,0.937,0.840338222191762,0.8623466520457816,0.37833253375368375,0.5084469878692345,0.6473660989651155
EOS-4-05950,NC(=O)c1ccc(-c2cncc3nnc(-c4ncncc4-c4cccc(F)c4)n23)cc1F,AVUUJQVSMDMPPE-UHFFFAOYSA-N,4,1,0.314,96,648,429.39,3.292,5,0.469,0.84,0.928,0.1763330135014735,0.2184394489753958,0.7022993626207936,0.7389658008361318,0.4590094064834487
EOS-4-05951,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Br)cn4)nc3)n12,ABXLTQKXCPEWRS-UHFFFAOYSA-N,4,1,0.533,65,263,493.3,3.561,5,0.354,0.73,1.0,0.8403467891165787,0.8792834624083339,0.4256133918168734,0.4208073469947228,0.6415127475841271
EOS-4-05953,Fc1cc(-c2nccc(COc3cncc4nnc(-c5cncc(Cl)c5)n34)n2)ccn1,DONKCPJUUDQKSS-UHFFFAOYSA-N,4,1,0.5,2,242,434.822,3.41,5,0.387,0.66,1.0,0.5673702967582757,0.7058203687204441,0.5342248646425879,0.5712853813994928,0.5946752278802001
EOS-4-05954,Cc1ccnc(-c2cc(COc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cs2)n1,NOGQDXPRXZHIHP-UHFFFAOYSA-N,4,1,0.614,27,996,466.473,4.799,5,0.341,0.73,1.0,0.9230261805222397,0.8995442395997533,0.7669368103625522,0.6664382153382222,0.8139863614556919
EOS-4-05955,COc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1ccccn1,HKHBTJXRIZMUHN-UHFFFAOYSA-N,4,1,0.49,11,777,460.444,4.157,5,0.36,0.68,1.0,0.902671167157837,0.8141405661023919,0.7334915358782811,0.6576828181755877,0.7769965218285244
EOS-4-05956,CCOCc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)cn1,HXVYCUDWTAMUPF-UHFFFAOYSA-N,4,1,0.488,90,636,426.864,2.843,4,0.458,0.68,1.0,0.6268590226852169,0.8219536015351929,0.4927095469810157,0.43645055170995817,0.594493180727846
EOS-4-05957,COc1cc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1ccccn1,UDNHNCRAWGGPJD-UHFFFAOYSA-N,4,1,0.468,97,383,442.454,4.283,5,0.388,0.71,1.0,0.8560071276814475,0.7058289356452607,0.7255328627235967,0.5744722774312933,0.7154603008703996
EOS-4-05958,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)c(Cl)c4)n23)ccn1,XPYRIOHQRZLBGG-UHFFFAOYSA-N,4,1,0.595,11,595,452.902,4.724,5,0.347,0.72,1.0,0.9134654924268385,0.936870331025975,0.728154341717497,0.7518333219107669,0.8325808717702693
EOS-4-05959,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,YSRKXGRZMJVIGV-UHFFFAOYSA-N,4,1,0.522,87,930,448.849,3.452,5,0.389,0.67,1.0,0.8519035706942636,0.9184428757453225,0.3631091083544651,0.42377150298128985,0.6393067644438353
EOS-4-05961,Fc1ccc(OCc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4)n23)nc1,QCSWVDDQMZWMRP-UHFFFAOYSA-N,4,1,0.374,73,930,418.367,2.896,5,0.429,0.71,1.0,0.5986395723391131,0.6416883695428689,0.4582533753683778,0.4364591186347749,0.5337601089712837
EOS-4-05962,Cc1c(F)ccc(Oc2cncc3nnc(-c4cc(-c5cccnn5)ncn4)n23)c1F,UILHGAZQCVEKMY-UHFFFAOYSA-N,4,1,0.366,44,971,418.367,3.417,5,0.437,0.63,0.133,0.6239891028716332,0.541883695428689,0.6419882119114523,0.5989651154821465,0.6017065314234802
EOS-4-05963,Fc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)c1,TULJXLZFSLDZTK-UHFFFAOYSA-N,4,1,0.558,59,16,422.42,4.167,5,0.423,0.66,1.0,0.7534010691522172,0.7814406140771709,0.8040058940442739,0.7932458364745391,0.7830233534370503
EOS-4-05964,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1c[nH]nn1,BKQXLWYHXCWLPW-UHFFFAOYSA-N,4,1,0.495,37,490,438.373,3.01,5,0.434,0.63,1.0,0.8353694057980947,0.760057569734768,0.7335001028030979,0.7518418888355836,0.770192241792886
EOS-4-05965,Fc1cc(-c2nnc3cncc(OCc4cnc(C(F)F)s4)n23)ccc1-c1nc[nH]n1,RYRPUYBQWYRLSA-UHFFFAOYSA-N,4,1,0.506,47,164,444.402,3.689,5,0.426,0.6,1.0,0.7475155918031663,0.7643410321431019,0.5837759577821945,0.5185816599273525,0.6535535604139538
EOS-4-05966,Cc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OC3CCC(F)(F)C3)n12,GRZBSFXTUCGEDQ-UHFFFAOYSA-N,4,1,0.422,78,634,408.412,4.123,5,0.505,0.63,0.798,0.6988040572955931,0.719647385374546,0.49271811390583237,0.5809317387430608,0.6230253238297581
EOS-4-05967,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)n5)n34)ccn2)nc1,ZAZOAGBEGKILSH-UHFFFAOYSA-N,4,1,0.541,73,420,418.367,2.896,5,0.402,0.66,1.0,0.6157134534987321,0.5468011102734562,0.46164587759577824,0.44900109656637655,0.5182903844835858
EOS-4-05968,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)ccn1,QKBKTJZGHQFJSU-UHFFFAOYSA-N,4,1,0.562,75,420,414.404,2.799,5,0.391,0.67,1.0,0.8584144335549311,0.715029812898362,0.3666215475292989,0.33139435268316086,0.5678650366664382
EOS-4-05969,CCOC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(Cl)c4)n23)cc1F,KPZNCYDSLQVIFU-UHFFFAOYSA-N,4,1,0.364,0,682,453.861,3.787,4,0.462,0.86,1.0,0.4699472277431293,0.42518504557604003,0.6505380028784867,0.5551195942704407,0.5251974676170242
EOS-4-05970,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,QZKDRKKPGAGVEA-UHFFFAOYSA-N,4,1,0.473,47,164,438.373,3.01,5,0.434,0.66,1.0,0.8448358577205126,0.8179956822698924,0.6755791241176068,0.6842488520320745,0.7556648790350216
EOS-4-05972,C#CCN(Cc1cncc2nnc(-c3ccc(C(F)F)nc3)n12)c1ccc(-c2ccnc(F)c2)nn1,IMRYMPBTJXZHGK-UHFFFAOYSA-N,4,1,0.351,85,476,487.449,3.755,5,0.253,0.59,0.771,0.26967822630388594,0.29047015283393873,0.6119697073538483,0.5484288259886231,0.430136728120074
EOS-4-05973,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4F)n23)nc1,VKZUDBKBJYQSSQ-UHFFFAOYSA-N,4,1,0.582,97,71,422.42,4.167,5,0.423,0.69,1.0,0.6294976355287506,0.7104550750462614,0.8142862038242752,0.8106709615516414,0.7412274689877322
EOS-4-05974,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4F)n23)ccn1,QUQXIGXOABRCSO-UHFFFAOYSA-N,4,1,0.542,58,28,421.367,3.136,5,0.385,0.6,1.0,0.8380165855664451,0.7058375025700775,0.5546312795558906,0.5185902268521692,0.6542688986361456
EOS-4-05976,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5F)n34)cc2)c1,LRHHGYVOKKVTPT-UHFFFAOYSA-N,4,1,0.619,91,660,432.434,4.092,5,0.404,0.72,1.0,0.928149201562607,0.8710763484339662,0.8610187786991982,0.8211397436776094,0.8703460180933452
EOS-4-05977,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c1,QWARVVQASXDIHY-UHFFFAOYSA-N,4,1,0.506,58,28,471.88,4.258,5,0.342,0.57,1.0,0.8472431635939963,0.8925964635734357,0.6239377013227332,0.669333835926256,0.7582777911041054
EOS-4-05979,Fc1nc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,GSIHBZYDLUFFEB-UHFFFAOYSA-N,4,1,0.518,58,28,471.88,4.258,5,0.342,0.61,1.0,0.8304862586525941,0.9016945377287369,0.6179836885751491,0.6493129326297032,0.7498693543965458
EOS-4-05980,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3cc(F)c(C(F)F)nn3)n12,OILWXMYTHQHYIW-UHFFFAOYSA-N,4,1,0.441,4,534,480.435,4.232,5,0.355,0.63,1.0,0.6471626345007196,0.7515763141662669,0.7760862860667535,0.712322664656295,0.7217869748475088
EOS-4-05981,Fc1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1-c1nccs1,HIXDHZZJFSSYDC-UHFFFAOYSA-N,4,1,0.56,35,429,452.902,4.724,5,0.371,0.71,1.0,0.9492238366116099,0.9438952093756425,0.709872524158728,0.7543948324309506,0.8393466006442327
EOS-4-05982,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)cn2)nc1,IKXIXFSDRROJLF-UHFFFAOYSA-N,4,1,0.471,55,930,451.277,3.924,5,0.371,0.78,1.0,0.7906157905558221,0.8295781646220273,0.5478205743266397,0.6112929202933315,0.6948268624494551
EOS-4-05983,Fc1ccc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)cc1-c1cccnn1,BASAAPFQRJGOEF-UHFFFAOYSA-N,4,1,0.489,4,712,434.822,3.41,5,0.387,0.74,1.0,0.7680590775135357,0.818004249194709,0.6532537180453705,0.6811647590980742,0.7301204509629223
EOS-4-05984,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)c1,DNSKVZHVUBVPMC-UHFFFAOYSA-N,4,1,0.733,88,876,420.379,3.741,5,0.413,0.8,1.0,0.9204047015283394,0.8330991707216777,0.7573075868686177,0.7621564663148516,0.8182419813583717
EOS-4-05986,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1ccncc1,UDPNVYLUJRNZQA-UHFFFAOYSA-N,4,1,0.54,35,103,458.909,4.532,5,0.354,0.71,1.0,0.8631091083544651,0.8065502707148242,0.7508652594064834,0.6955486258652595,0.779018316085258
EOS-4-05987,Fc1cncc(F)c1COc1cncc2nnc(-c3cncc(-c4cscn4)c3)n12,PYDPOTNGOGOMPV-UHFFFAOYSA-N,4,1,0.459,2,980,423.408,3.562,5,0.427,0.65,1.0,0.6656072236310054,0.5746693167020767,0.6943920910150092,0.6782605715852238,0.6532323007333287
EOS-4-05988,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cncc(Br)c3)n12,GJSCRUSYHLMRKL-UHFFFAOYSA-N,4,1,0.558,37,386,492.312,4.166,5,0.352,0.72,1.0,0.9216469056267562,0.9041703790007539,0.6755876910424234,0.6811733260228908,0.7956445754232061
EOS-4-05989,N#Cc1cc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,XQLJTGCYFNOAPI-UHFFFAOYSA-N,4,1,0.467,4,208,459.832,3.281,5,0.388,0.68,1.0,0.8282845589747104,0.8532485778904805,0.5933023781783291,0.6172469330409156,0.7230206120211089
EOS-4-05990,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1c[nH]cn1,QAPRMMHITDJYRV-UHFFFAOYSA-N,4,1,0.551,37,141,435.85,3.99,5,0.433,0.66,1.0,0.9216554725515729,0.8363717360016448,0.7255414296484134,0.7569649098759509,0.8101333870193955
EOS-4-05991,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cn4)n23)cc1F,BWXOYWAJDSENNC-UHFFFAOYSA-N,4,1,0.625,84,308,436.447,4.21,5,0.397,0.79,1.0,0.812564251936125,0.7335001028030979,0.7669453772873689,0.7493403467891165,0.765587519703927
EOS-4-05992,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)ccn1,HIUUMWYBLUTVAY-UHFFFAOYSA-N,4,1,0.595,11,595,469.357,5.238,5,0.317,0.66,1.0,0.8835840586663012,0.9041789459255706,0.7831197313412378,0.835155232677678,0.8515094921526969
EOS-4-05993,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)nc5)nc4)n23)cc1F,ZUEMJZQKIVMOPV-UHFFFAOYSA-N,4,1,0.343,96,478,430.378,2.687,5,0.435,0.8,1.0,0.2746984442464533,0.23905147008429853,0.6294890686039339,0.5712939483243095,0.42863323281474885
EOS-4-05994,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC)cc4F)n23)c(F)c1F,QGRDKPRTZMOSIK-UHFFFAOYSA-N,4,1,0.35,0,129,454.412,2.985,4,0.483,0.77,1.0,0.45138270166541017,0.46064354739222807,0.6971763415804263,0.5681498869165924,0.5443381193886643
EOS-4-05995,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cccs4)nc3F)n12,DJMVBERTPUZYED-UHFFFAOYSA-N,4,1,0.53,58,28,436.447,4.21,5,0.371,0.71,1.0,0.8779641559865671,0.9106298403125214,0.5964978411349462,0.5961037625933795,0.7452989000068535
EOS-4-05997,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nn3)n12,NISGSZBMITZIOP-UHFFFAOYSA-N,4,1,0.438,54,263,484.282,3.501,5,0.357,0.58,0.652,0.8046826811047906,0.777208553217737,0.4142193818107052,0.5484373929134397,0.6361370022616681
EOS-4-05998,Cc1cnc(-c2nnc3cncc(-c4ocnc4-c4cc(F)c(F)cc4F)n23)cn1,BJUBNNYTZNDIHC-UHFFFAOYSA-N,4,1,0.292,50,575,409.331,3.629,5,0.42,0.72,0.997,0.3468405181276129,0.38315571242546775,0.7307244191624974,0.7544033993557673,0.5537810122678364
EOS-4-05999,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(OC5CCCCC5)cn4)n23)cc1,ORLNHMUYGWNCLS-UHFFFAOYSA-N,4,1,0.287,52,821,468.496,4.556,6,0.37,0.67,0.81,0.367443972311699,0.4606521143170448,0.043340072647522446,0.24043074497978206,0.27796672606401207
EOS-4-06001,Fc1cnc(-c2ccc(-c3nnc4cncc(COc5ccc(Cl)cn5)n34)cn2)nc1,YVUIVZISPSFIHO-UHFFFAOYSA-N,4,1,0.374,73,930,434.822,3.41,5,0.414,0.71,1.0,0.6071807963813309,0.6713556301829895,0.45826194229319445,0.48306318963744777,0.5549653896237406
EOS-4-06002,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,YPMFPBKWYRPYTH-UHFFFAOYSA-N,4,1,0.614,48,378,458.856,3.456,4,0.406,0.89,1.0,0.7016996778836269,0.5468096771982729,0.7621564663148516,0.67521074635049,0.6714691419368104
EOS-4-06003,Fc1cncc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6cnc(F)cn6)cc5)n34)c2)c1,CMXICPIOCLMXAG-UHFFFAOYSA-N,4,1,0.325,42,50,465.427,4.046,6,0.384,0.68,1.0,0.29142108148858886,0.40675759029538755,0.7410047289424988,0.7621650332396683,0.5503371084915358
EOS-4-06004,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)nc(F)c5)n34)nn2)cn1,PVTRMJGYAPCJEF-UHFFFAOYSA-N,4,1,0.443,54,411,451.372,2.472,5,0.359,0.57,0.995,0.8125728188609417,0.6760760057569735,0.465081214447262,0.4740336508806799,0.6069409224864643
EOS-4-06006,COc1cc(-c2nnc3cncc(OCc4ncc(C)cn4)n23)ccc1-c1ccccc1F,CLMNUEKFACWJRP-UHFFFAOYSA-N,4,1,0.471,97,955,442.454,4.283,5,0.388,0.76,1.0,0.8673754369131657,0.802455280652457,0.6532622849701871,0.5616047563566582,0.721174439723117
EOS-4-06007,Clc1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cn1,KCZFUMKUESOQHH-UHFFFAOYSA-N,4,1,0.554,11,201,469.357,5.238,5,0.317,0.6,1.0,0.9026797340826537,0.9276780206976903,0.7621650332396683,0.8152199986292921,0.8519356966623262
EOS-4-06008,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,IYDAXGMELHWVQF-UHFFFAOYSA-N,4,1,0.5,37,386,448.849,3.452,5,0.364,0.7,1.0,0.8759594955794668,0.9307021451579741,0.49966588993214994,0.5385854293742718,0.7112282400109657
EOS-4-06010,Fc1ncc(F)c(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)n1,DMSWQEKBYFPUGI-UHFFFAOYSA-N,4,1,0.494,4,666,423.408,3.562,5,0.399,0.66,1.0,0.6353317113289014,0.5994105955726132,0.5240387910355698,0.5119251593448015,0.5676765643204715
EOS-4-06011,Cc1nc(-c2ccnc(F)c2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,XUSJFKPHLBOZHD-UHFFFAOYSA-N,4,1,0.506,11,578,445.433,3.851,5,0.367,0.65,1.0,0.8779727229113837,0.8219621684600096,0.6671321362483723,0.6172554999657323,0.7460806318963744
EOS-4-06012,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)c(F)c1F,CFGNNSKKKADVLN-UHFFFAOYSA-N,4,1,0.506,90,133,475.253,3.166,4,0.477,0.77,1.0,0.6471712014255363,0.5800065108628607,0.6997806867246933,0.6049790967034473,0.6329843739291343
EOS-4-06013,Cc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,JEADEKJVNAJGET-UHFFFAOYSA-N,4,1,0.5,11,578,445.433,3.851,5,0.367,0.67,1.0,0.917603317113289,0.8594595983825646,0.6620947844561716,0.6113014872181481,0.7626147967925434
EOS-4-06014,Fc1ccc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)cnn2)nn1,FNWJKVHOPUYEJY-UHFFFAOYSA-N,4,1,0.396,53,915,435.81,2.805,5,0.41,0.54,0.955,0.7504711808649167,0.7814491810019876,0.38561441984785144,0.45857891851141114,0.5940284250565417
EOS-4-06015,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccnc(-c4ncco4)c3)n12,UEQHMQITHHODAN-UHFFFAOYSA-N,4,1,0.494,24,912,407.34,3.094,5,0.41,0.66,1.0,0.817593036803509,0.5145723391131519,0.5965064080597628,0.5517270920430403,0.620099719004866
EOS-4-06016,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(F)cc5F)nn4)n23)cc1F,WYDAZFBONYGJHZ-UHFFFAOYSA-N,4,1,0.333,45,648,477.406,3.818,5,0.41,0.81,1.0,0.6098708107737647,0.6274415735727503,0.7979148104996231,0.7440374203275992,0.6948161537934343
EOS-4-06017,Cc1nc(CN2CCCC2)ncc1Cc1cncc2nnc(-c3ccc(F)cc3F)n12,MFJWRDINIBDEQG-UHFFFAOYSA-N,4,1,0.354,78,9,421.455,3.355,5,0.492,0.83,1.0,0.185088410664108,0.21844801590021246,0.009869097388801316,0.11657014598039887,0.13249391748338016
EOS-4-06018,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncnc(C(F)F)n5)cc4F)n23)cc1,JKXBIDSKRKKFKT-UHFFFAOYSA-N,4,1,0.33,62,124,492.421,3.872,5,0.379,0.79,1.0,0.6353402782537181,0.6566976218216709,0.6591648961688712,0.47693783839353027,0.6070351586594476
EOS-4-06019,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cocn1,JMGDCQFCUUMUDX-UHFFFAOYSA-N,4,1,0.539,11,729,443.854,3.988,5,0.362,0.65,1.0,0.9458313343842094,0.9041875128503872,0.7597063258172846,0.7467702693441163,0.8391238605989995
EOS-4-06020,CC(=NNC#N)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cc5)nc4)n23)cc1,XVAZEQAQAVPNKC-UHFFFAOYSA-N,4,1,0.341,62,3,448.465,4.454,5,0.184,0.66,0.782,0.2774826948118703,0.3255431430333767,0.764520937564252,0.6434188883558358,0.5027414159413337
EOS-4-06021,Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)nc4F)n23)ncc1F,YLXLNMZDDCZADD-UHFFFAOYSA-N,4,1,0.398,73,775,451.372,2.738,5,0.372,0.63,1.0,0.7080477691727778,0.7858097457336715,0.28921081488588857,0.2908813652251388,0.5184874237543692
EOS-4-06022,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5ccsn5)nc4F)n23)n1,QWCMSNBNSTYFGX-UHFFFAOYSA-N,4,1,0.456,24,28,442.386,3.096,5,0.302,0.59,1.0,0.5783702282228771,0.6416969364676856,0.4180916318278391,0.43011959427044066,0.5170695976972106
EOS-4-06023,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,PECPFRKZFHNHIN-UHFFFAOYSA-N,4,1,0.494,24,912,423.408,3.562,5,0.399,0.64,1.0,0.7765146323075869,0.5901154821465286,0.6294976355287506,0.604987663628264,0.6502788534027825
EOS-4-06024,N#Cc1ccc(-c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cc2)nc1,MWNJZPRQCVNYMP-UHFFFAOYSA-N,4,1,0.379,62,3,435.422,3.63,5,0.46,0.88,1.0,0.24299225549996573,0.24927181139058324,0.8269823864025769,0.8041772325406072,0.5308559214584333
EOS-4-06025,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5F)nn4)n23)ccn1,QRLFXNCMNCOKCS-UHFFFAOYSA-N,4,1,0.461,54,411,432.394,2.938,5,0.377,0.68,0.999,0.8046912480296073,0.7150383798231786,0.510134672058118,0.5119337262696183,0.6354495065451305
EOS-4-06026,COc1cc(-c2nnc3cncc(COc4ccc(Cl)cn4)n23)ccc1-c1cccnc1,CWRNTMZRBSKVGY-UHFFFAOYSA-N,4,1,0.424,14,351,444.882,4.489,5,0.381,0.72,1.0,0.647179768350353,0.6186604756356658,0.7382718799259818,0.6664467822630389,0.6676397265437599
EOS-4-06027,Cc1nc(-c2cccnc2F)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,VTYOLWPFRSJQOW-UHFFFAOYSA-N,4,1,0.494,11,578,445.433,3.851,5,0.367,0.74,1.0,0.8909344801590021,0.8331077376464944,0.6324617915153177,0.5840158316770612,0.735129960249469
EOS-4-06029,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnccn5)ncn4)n23)ccc1Cl,LUEAFIDMWLVRQS-UHFFFAOYSA-N,4,1,0.484,7,633,441.842,3.142,5,0.404,0.53,1.0,0.6809077513535742,0.9017031046535535,0.6179922554999657,0.617264066890549,0.7044667945994106
EOS-4-06030,COc1cc(-c2nnc3cncc(OCCc4c(F)ccnc4F)n23)ccc1-c1ccsc1,UMUKGNJTJKXCJF-UHFFFAOYSA-N,4,1,0.534,35,103,465.485,4.823,5,0.321,0.56,1.0,0.9010006168185868,0.8257487492289768,0.8233928449043931,0.7569734768007675,0.8267789219381811
EOS-4-06032,Cc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)nc1Cl,UZIJRKGLJHFPRA-UHFFFAOYSA-N,4,1,0.5,90,555,417.256,3.268,4,0.498,0.75,0.999,0.7707148242067028,0.8532571448152971,0.6239462682475498,0.6722380234391063,0.7300390651771641
EOS-4-06033,Cn1c(Cc2cncc3nnc(-c4ccc(F)cc4)n23)nnc1-c1cc(F)nc(F)c1,UVKLAMHXFXFONY-UHFFFAOYSA-N,4,1,0.431,22,252,422.374,2.99,5,0.414,0.63,1.0,0.3903861969707354,0.46066068124186144,0.42898019326982384,0.5744808443561099,0.4636269789596327
EOS-4-06034,N#Cc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,FKRRHRFPWDYHHZ-UHFFFAOYSA-N,4,1,0.529,35,352,458.934,5.061,5,0.33,0.68,1.0,0.9120519498320883,0.9184514426701391,0.8438592282914125,0.8535998218079638,0.881990610650401
EOS-4-06035,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)ccc1C#N,LAUUSUHLILIUJS-UHFFFAOYSA-N,4,1,0.538,35,161,451.465,4.189,5,0.381,0.76,1.0,0.9500548283188267,0.9424730998560756,0.8358063189637448,0.7794359536700706,0.8769425502021795
EOS-4-06036,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cc(-c5ccnc(F)c5)ncn4)n23)cc1,LAGJXHFJOFIQRU-UHFFFAOYSA-N,4,1,0.295,10,543,466.415,3.441,6,0.36,0.58,0.924,0.207422383661161,0.3158282502912754,0.4961191830580495,0.5900383798231786,0.40235204920841616
EOS-4-06037,Cc1nc(-c2ccc(-c3nnc4cncc(Br)n34)c(-c3cnccn3)n2)ncc1F,UMOUQGXJGLVHMB-UHFFFAOYSA-N,4,1,0.432,50,324,464.262,3.31,5,0.4,0.58,1.0,0.30468268110479063,0.37368926050304985,0.16653245151120555,0.20827907614282776,0.26329586731546845
EOS-4-06038,Clc1ccc(-c2nnc3cncc(OCCc4ccc(C#Cc5cccnc5)nc4)n23)cn1,VRRIISIQLKCDHY-UHFFFAOYSA-N,4,1,0.56,35,76,453.893,3.651,5,0.296,0.58,1.0,0.820351586594476,0.9473048454526763,0.7175484887944623,0.6811818929477075,0.7915967034473306
EOS-4-06039,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cccnc5)c(C#N)c4)n23)ccc1F,DUQRHTSGOQCDNK-UHFFFAOYSA-N,4,1,0.54,4,744,437.438,4.147,5,0.407,0.7,1.0,0.7590295387567678,0.7730364608320197,0.8215166883695428,0.7672366527311356,0.7802048351723665
EOS-4-06040,FCc1csc(COc2cncc3nnc(-c4ccc(F)c(-c5cscn5)c4)n23)n1,HXTDGHLRRTZGKV-UHFFFAOYSA-N,4,1,0.541,4,92,442.476,4.559,5,0.384,0.7,0.996,0.6747395654855733,0.7560396819957508,0.45487800699061065,0.4769464053183469,0.5906509149475704
EOS-4-06041,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4ccnc(C(F)(F)F)n4)n23)ccn1,FTSNYFJQAJJFDV-UHFFFAOYSA-N,4,1,0.457,7,185,454.376,2.37,5,0.394,0.54,0.947,0.3836183263655678,0.4116664382153382,0.4217925433486396,0.24344630251524912,0.3651309026111987
EOS-4-06042,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5sccc5F)n34)cc2F)n1,UNHIZHDDXRLRFN-UHFFFAOYSA-N,4,1,0.518,4,526,436.447,4.475,5,0.404,0.75,1.0,0.8854516482763347,0.8532657117401138,0.6835206634226578,0.6521400178192036,0.7685945103145775
EOS-4-06043,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1cccnn1,LUVSUKCTMBBMKG-UHFFFAOYSA-N,4,1,0.505,37,563,448.849,3.452,5,0.364,0.69,1.0,0.9281577684874237,0.9382838736207251,0.5138184497292851,0.5517356589678569,0.7329989377013227
EOS-4-06044,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)cc1-c1cccnn1,SZGPIXOXSPNVEM-UHFFFAOYSA-N,4,1,0.5,37,563,448.849,3.452,5,0.364,0.68,1.0,0.9329381125351244,0.9368788979507916,0.5175193612500857,0.5584606949489411,0.7364492666712357
EOS-4-06046,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)nn2)nc1,MNGGMTZTTIXGAJ-UHFFFAOYSA-N,4,1,0.442,54,411,432.394,3.204,5,0.417,0.67,0.955,0.7324977725995476,0.627450140497567,0.48617298334589815,0.5018504557604002,0.5869928380508532
EOS-4-06047,COc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1ccc(F)nn1,SDQZGQXIBRYPFG-UHFFFAOYSA-N,4,1,0.465,72,925,479.422,3.691,5,0.349,0.62,1.0,0.9074515112055377,0.8817593036803509,0.7410132958673155,0.6693424028510726,0.7998916284010693
EOS-4-06048,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cncnc1,AHMQWFHJKKIDSJ-UHFFFAOYSA-N,4,1,0.369,14,767,429.415,3.37,5,0.379,0.71,1.0,0.6353488451785347,0.5559420190528408,0.7098810910835447,0.5809403056678775,0.6205280652456995
EOS-4-06049,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ncc(F)cc4F)n23)cc1F,XFFYTNPKZNSSJZ-UHFFFAOYSA-N,4,1,0.376,90,678,427.39,2.965,4,0.491,0.74,1.0,0.2430008224247824,0.26431533136865193,0.5240473579603866,0.4426787060516757,0.36851055445137415
EOS-4-06050,FC(F)c1nccc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)n1,BWWSPTYURMHBBE-UHFFFAOYSA-N,4,1,0.473,75,420,433.382,2.95,5,0.398,0.66,1.0,0.5382684531560551,0.5010622986772668,0.3220649715578096,0.2345367007059146,0.39898310602426157
EOS-4-06051,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnnc(Cl)c5)nc4)n23)ccc1F,FMKWHKOPESYIJE-UHFFFAOYSA-N,4,1,0.438,4,702,459.832,3.281,5,0.388,0.67,1.0,0.7381605099033651,0.840004112123912,0.647719484613803,0.6407117401137687,0.7166489616887122
EOS-4-06052,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cocn5)cc4F)n23)nc1,DCAGZTGNOHJHAN-UHFFFAOYSA-N,4,1,0.553,4,850,413.372,3.431,5,0.43,0.71,1.0,0.7414416421081489,0.7515848810910836,0.7737389486669864,0.7308186553354807,0.7493960318004249
EOS-4-06053,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nccs1,ZGOTXSNJSNWCOT-UHFFFAOYSA-N,4,1,0.595,11,595,452.902,4.724,5,0.347,0.68,1.0,0.9296055787814406,0.9411794942087588,0.7281629086423137,0.7518504557604002,0.8376996093482283
EOS-4-06054,CC(F)c1cc(F)c(-c2nnc3cncc(-c4ccc(C(=O)NC5CNC5)c(F)c4)n23)cn1,BZDNQZYAGYJXDI-UHFFFAOYSA-N,4,1,0.321,0,188,453.428,2.864,5,0.482,0.76,0.966,0.31989753957919265,0.34490439311904597,0.667140703173189,0.6172726338153657,0.48730381742169837
EOS-4-06055,Cc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3cnccc3Cl)n12,MBQFWEMWZURTGW-UHFFFAOYSA-N,4,1,0.489,35,583,461.888,4.366,5,0.371,0.64,1.0,0.9026883010074703,0.8710849153587829,0.5745151120553766,0.6172812007401823,0.741392382290453
EOS-4-06056,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4ccccn4)nc3F)n12,RSNBXBCLHCOTHW-UHFFFAOYSA-N,4,1,0.448,58,28,432.394,2.938,5,0.377,0.58,1.0,0.7935713796175725,0.7772171201425536,0.3556044822150641,0.3797289424988006,0.5765304811184977
EOS-4-06057,CNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(F)(F)F)s4)n23)cn1,LFMQSLMZAGTRGJ-UHFFFAOYSA-N,4,1,0.423,68,455,419.392,2.612,4,0.546,0.71,1.0,0.22667226372421356,0.27468131039682,0.4366133232814749,0.2289767664998972,0.2917359159756014
EOS-4-06058,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(C#N)c4)n23)cc1Cl,WRNLDABGHWYHJJ-UHFFFAOYSA-N,4,1,0.385,61,129,423.263,3.996,4,0.538,0.81,1.0,0.42820917003632375,0.44751045164827635,0.9036734973613871,0.9163868137893222,0.6739449832088273
EOS-4-06059,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,MQRNLSBFOSRTOL-UHFFFAOYSA-N,4,1,0.612,11,0,418.457,4.07,5,0.414,0.71,1.0,0.8448444246453293,0.8468833527516962,0.6180008224247824,0.6049962305530807,0.7286812075937221
EOS-4-06060,Fc1cnnc(F)c1CCOc1cncc2nnc(-c3ccc(-c4nncs4)cc3Cl)n12,JZUYFQXCXCDOBL-UHFFFAOYSA-N,4,1,0.565,37,832,472.868,3.653,5,0.369,0.58,1.0,0.8098999383181413,0.9202590638064561,0.5138270166541018,0.6050047974778974,0.7122477040641491
EOS-4-06061,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnc(F)nn5)c4)n23)cc1F,SYBJRFKOWRIKBR-UHFFFAOYSA-N,4,1,0.34,96,648,430.378,2.687,5,0.465,0.64,1.0,0.277491261736687,0.20857891851141114,0.577496401891577,0.5647659516140087,0.40708313343842095
EOS-4-06062,Cc1cnnc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)n5)n34)cc2F)n1,HHLHLTOPZJJMKI-UHFFFAOYSA-N,4,1,0.39,85,351,433.382,2.599,5,0.386,0.61,1.0,0.6129977383318485,0.6138886985127818,0.35561304913988073,0.312615653485025,0.473778784867384
EOS-4-06063,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c(F)c2)cn1,SFUYUPUMPDFTIE-UHFFFAOYSA-N,4,1,0.433,51,196,448.849,3.718,5,0.4,0.66,1.0,0.8203601535192927,0.85003598108423,0.5031183606332671,0.5084555547940511,0.6704925125077102
EOS-4-06064,COc1ccc(Oc2cncc3nnc(-c4cc(Cl)nc(-c5ccc(F)nn5)c4)n23)cn1,GPPFMCYVYLHHBX-UHFFFAOYSA-N,4,1,0.409,13,374,450.821,3.632,5,0.37,0.65,0.914,0.6685628126927559,0.6809762867521074,0.5307980947159208,0.4680196696593791,0.5870892159550408
EOS-4-06065,COc1ncccc1COc1cncc2nnc(-c3ccnc(-c4cc(F)ccn4)c3)n12,GCWSNFRSWIIWLJ-UHFFFAOYSA-N,4,1,0.506,24,912,429.415,3.37,5,0.405,0.74,1.0,0.7017082448084435,0.5559505859776575,0.49612774998286613,0.3894181344664519,0.5358011788088547
EOS-4-06066,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2F)nn1,VPRHHSLZQYJGHK-UHFFFAOYSA-N,4,1,0.696,91,70,461.888,4.366,5,0.371,0.7,1.0,0.9409567541635254,0.9710437941196628,0.6419967788362689,0.692927146871359,0.8117311184977041
EOS-4-06067,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncco5)nc4F)n23)ccc1F,DBSQYILGFATRLI-UHFFFAOYSA-N,4,1,0.494,24,702,432.35,2.965,5,0.385,0.63,1.0,0.7109176889863614,0.7196559522993626,0.5443509697758893,0.4890343362346652,0.6159897368240697
EOS-4-06068,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N(C)C)c(F)c4)n23)c(F)c1F,SZPIQUQSABFUNK-UHFFFAOYSA-N,4,1,0.353,0,129,468.439,3.327,4,0.485,0.82,1.0,0.35585292303474747,0.43435165512987456,0.5805205263518607,0.43646768555959153,0.45179819751901856
EOS-4-06069,COCc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1Cl,FOODSQWVLUYUDD-UHFFFAOYSA-N,4,1,0.529,90,400,430.295,4.261,4,0.408,0.69,1.0,0.782211637310671,0.887122198615585,0.7853128640943047,0.8041857994654239,0.8147081248714961
EOS-4-06070,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3F)n12,JDDNEWKZGOZLGX-UHFFFAOYSA-N,4,1,0.484,58,262,432.394,2.938,5,0.377,0.63,1.0,0.7990285107257898,0.8257573161537934,0.32207353848262626,0.3440734014118292,0.5727331916935097
EOS-4-06072,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)c(Cl)c1,JJJPYUZEIZPVOY-UHFFFAOYSA-N,4,1,0.451,90,133,461.284,3.961,4,0.467,0.75,0.999,0.6014409567541635,0.569888972654376,0.6591734630936879,0.6664553491878555,0.6242396854225207
EOS-4-06074,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccncc4-c4cccc(F)c4)n23)cc1F,YZXGWTUYZZTWKJ-UHFFFAOYSA-N,4,1,0.345,96,648,456.456,4.548,5,0.42,0.75,1.0,0.29943115619217325,0.2955846069494894,0.7892536495099719,0.7815434171749709,0.5414532074566514
EOS-4-06075,Fc1cc(-c2cncnn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,DEPSMGBPAGITJQ-UHFFFAOYSA-N,4,1,0.583,35,619,414.404,2.799,5,0.418,0.68,1.0,0.8584230004797478,0.8562041669522308,0.5068963744774175,0.49213556301829897,0.6784147762319237
EOS-4-06076,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)ccn1,DSRNPNMJDNSXQG-UHFFFAOYSA-N,4,1,0.541,97,666,412.428,4.275,5,0.429,0.83,1.0,0.8203687204441094,0.7982489205674731,0.7784850250154205,0.7308272222602974,0.781982472071825
EOS-4-06077,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(F)c(F)c4)n23)cc1Cl,NKDYOTSEAAMELO-UHFFFAOYSA-N,4,1,0.349,90,129,414.803,3.535,4,0.516,0.87,1.0,0.3490850524295799,0.429674114179974,0.7691556438900692,0.772102666027003,0.5800043691316565
EOS-4-06078,Fc1cc(-c2nnc3cncc(OCc4nc(Cl)ccc4F)n23)ccc1-c1nc[nH]n1,GQAJUQQLQVXPEV-UHFFFAOYSA-N,4,1,0.457,47,164,440.801,3.482,5,0.417,0.63,1.0,0.7963042286340896,0.8295867315468439,0.7229199506545131,0.762173600164485,0.7777461277499829
EOS-4-06079,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC5COC5)c(F)c4)n23)cc1F,NAIWBKMDYGOBNJ-UHFFFAOYSA-N,4,1,0.343,0,682,437.406,2.874,5,0.516,0.84,1.0,0.6098793776985814,0.5236961140429032,0.8002792817490234,0.72547289424988,0.6648319169350969
EOS-4-06080,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cocn4)nc3F)n12,ZHZXAFJYSQNECF-UHFFFAOYSA-N,4,1,0.524,58,28,421.367,3.136,5,0.385,0.66,1.0,0.7935799465423892,0.661700705914605,0.5642091015009252,0.5385939962990884,0.6395209375642519
EOS-4-06081,OCc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5cscn5)c4)n23)cn1,JFUVDGGEVXQASE-UHFFFAOYSA-N,4,1,0.552,97,214,434.456,3.52,5,0.437,0.78,1.0,0.7765231992324035,0.7009200877253101,0.694400657939826,0.6287351792200672,0.7001447810294017
EOS-4-06082,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)cc1F,FXAQNEKLOJZZNG-UHFFFAOYSA-N,4,1,0.5,68,12,429.362,2.597,4,0.502,0.74,1.0,0.5959152902474127,0.5514615173737235,0.5607908984990748,0.39236515660338567,0.5251332156808992
EOS-4-06083,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c(F)cn1,ZXSHCQBGNWGOKY-UHFFFAOYSA-N,4,1,0.523,58,28,471.88,4.258,5,0.342,0.57,1.0,0.8074669316702077,0.884492152696868,0.6671492700980056,0.6982386402576931,0.7643367486806936
EOS-4-06084,N#Cc1c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc(F)c1F,VKFACZOMOSPQGZ-UHFFFAOYSA-N,4,1,0.357,0,188,434.381,3.639,5,0.529,0.86,1.0,0.35832019738194776,0.4871153450757316,0.8358148858885615,0.887173600164485,0.6421060071276814
EOS-4-06085,CC#Cc1cc(F)c(CCOc2cncc3nnc(-c4ccnc(-c5ccncn5)c4)n23)cn1,SWWRUNRFEJLJJV-UHFFFAOYSA-N,4,1,0.5,75,583,452.453,3.17,5,0.362,0.55,0.998,0.8330049345486944,0.6859793708450415,0.5546398464807073,0.4490096634911932,0.6306584538414091
EOS-4-06086,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1cccnn1,XRJPYEUODFZCNU-UHFFFAOYSA-N,4,1,0.655,91,925,442.454,4.018,5,0.376,0.75,1.0,0.9307192790076074,0.8792920293331505,0.7204355424576794,0.6347320265917347,0.791294719347543
EOS-4-06087,Cc1cc(OCc2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)ccn1,UAADZQTZSIAMMM-UHFFFAOYSA-N,4,1,0.406,14,189,417.469,4.941,5,0.405,0.74,1.0,0.5870056884380783,0.6323418545678843,0.8002878486738401,0.7596206565691179,0.6948140120622301
EOS-4-06088,FC(F)Oc1ccc(-c2nnc3cncc(-c4cnc(C(F)F)nc4)n23)cc1,PTKUELXAMPSBAG-UHFFFAOYSA-N,4,1,0.536,68,861,390.3,3.787,4,0.483,0.78,1.0,0.6212048523062161,0.7381519429785485,0.9512199300938935,0.9206959769721061,0.8078181755876911
EOS-4-06089,Cc1cnc(-c2ccc(-c3nnc4cncc(CNc5ccc(F)cc5F)n34)cn2)nc1,PKAYQSDNCNXVII-UHFFFAOYSA-N,4,1,0.357,85,81,430.422,3.842,5,0.453,0.83,1.0,0.21837091357686245,0.22379377698581318,0.5710797752038929,0.5354242341169214,0.3871671749708725
EOS-4-06090,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)n23)cc1F,DJCBPQFJVJXMMU-UHFFFAOYSA-N,4,1,0.381,0,901,452.396,2.787,5,0.513,0.85,1.0,0.34684908505242956,0.3971455006510863,0.4789853334247139,0.5386025632239051,0.4403956205880337
EOS-4-06091,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)nn2)nc1,XZAANYYEFUGLRU-UHFFFAOYSA-N,4,1,0.494,54,263,449.837,2.847,5,0.385,0.54,0.995,0.7534096360770338,0.7428209170036324,0.27827941881982043,0.3668871221986156,0.5353492735247756
EOS-4-06092,N#Cc1c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc(F)c1Cl,LEPTYFWOLGJQSG-UHFFFAOYSA-N,4,1,0.357,0,188,450.836,4.154,5,0.503,0.84,1.0,0.35832876430676447,0.4915872798300322,0.8373912000548284,0.9064063463779042,0.6484283976423824
EOS-4-06093,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccnc(Cl)c5)cn4)n23)c(F)c1F,WYSRURQXFPDRDQ-UHFFFAOYSA-N,4,1,0.333,96,155,464.823,3.341,5,0.404,0.66,0.998,0.19628538139949284,0.37840963607703376,0.72554999657323,0.7440459872524159,0.5110727503255432
EOS-4-06094,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)cc(F)n1,HFEIUFLDRLPTRN-UHFFFAOYSA-N,4,1,0.556,58,28,471.88,4.258,5,0.342,0.53,1.0,0.8718730724419163,0.889700842985402,0.6449266671235693,0.672246590363923,0.7696867932287026
EOS-4-06095,N#Cc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ncccc3F)n12,NNNKNSFQRSWEHU-UHFFFAOYSA-N,4,1,0.489,11,699,438.426,3.276,5,0.397,0.57,1.0,0.8176016037283257,0.8500445480090467,0.4861815502707148,0.4830717565622644,0.659224864642588
EOS-4-06096,O=C(NC1CC(F)(F)C1)c1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,BSMWBJPJPRHHKD-UHFFFAOYSA-N,4,1,0.35,66,455,471.418,3.637,5,0.432,0.69,0.981,0.19913816736344322,0.3005191556438901,0.8161880611335754,0.7569820437255843,0.5182068569666233
EOS-4-06097,Fc1ccc(-c2nc(Cl)ccc2-c2nnc3cncc(-c4cnn(C5CC5)c4)n23)cc1,KLSXJYAABAOELD-UHFFFAOYSA-N,4,1,0.35,96,46,431.862,4.844,6,0.38,0.77,1.0,0.17925433486395723,0.38785895414981836,0.4548865739154273,0.720212802412446,0.4355531663354122
EOS-4-06098,Fc1ncc(F)c(COc2cncc3nnc(-c4csc(-c5ncccn5)c4)n23)n1,NKDBBXRZJAFBDF-UHFFFAOYSA-N,4,1,0.435,7,242,424.396,2.957,5,0.397,0.6,1.0,0.6130063052566651,0.5145809060379686,0.27045781646220274,0.270089438695086,0.4170336166129806
EOS-4-06099,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)nn5)n34)cn2)nc1,QEEJWXKHEJOFTK-UHFFFAOYSA-N,4,1,0.461,73,930,453.8,2.944,5,0.396,0.66,1.0,0.7325063395243643,0.7982574874922898,0.4328096086628744,0.4830803234870811,0.6116634397916524
EOS-4-06100,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)c(F)c1,UFGLYKLPFJZCQR-UHFFFAOYSA-N,4,1,0.506,37,563,455.812,3.789,5,0.381,0.7,1.0,0.892690699746419,0.8623552189705983,0.6809591529024741,0.7308357891851142,0.7917102152011514
EOS-4-06101,Clc1ncc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5cncnc5)n4)n23)cn1,XATSDLGLLMGFKG-UHFFFAOYSA-N,4,1,0.477,7,434,452.265,3.319,5,0.37,0.64,1.0,0.5755003084092934,0.7058460694948941,0.43662189020629155,0.5018590226852169,0.554956822698924
EOS-4-06102,FCc1nc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ccsc1,OQBMCHRUOYCCNA-UHFFFAOYSA-N,4,1,0.409,46,62,436.447,4.497,5,0.39,0.62,1.0,0.6268675896100336,0.5418922623535056,0.6388013158796518,0.637764717976835,0.6113314714550065
EOS-4-06103,O=C(c1ccc(-c2cncc3nnc(-c4cc(F)c(Cl)cn4)n23)cc1F)N1CCCC1,ZKUQTXWFERSQOQ-UHFFFAOYSA-N,4,1,0.326,0,825,440.841,4.021,5,0.481,0.74,1.0,0.1792629017887739,0.27468987732163663,0.08778527859639504,0.4301281611952574,0.24296655472551576
EOS-4-06104,N=c1nccc(-c2ccc(-c3nnc4cncc(COc5cccnc5F)n34)cn2)[nH]1,OXOLIPNHOFSFMX-UHFFFAOYSA-N,4,1,0.36,85,767,415.392,2.169,5,0.421,0.62,1.0,0.480064765951614,0.41167500514015487,0.3966571859365362,0.29684394489753957,0.39631022548146116
EOS-4-06105,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)ccc1F,SPRZWSMCHVAYPG-UHFFFAOYSA-N,4,1,0.49,87,930,473.859,3.324,5,0.364,0.69,1.0,0.9204132684531561,0.9483328764306764,0.4511428277705435,0.4710694948941128,0.6977396168871222
EOS-4-06106,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccon5)c(F)c4)n23)ccn1,MIBRUZBSPCYXTD-UHFFFAOYSA-N,4,1,0.595,11,595,420.379,3.741,5,0.387,0.68,1.0,0.8835926255911178,0.7688301007470358,0.7914296484134056,0.7672452196559523,0.8027743986018778
EOS-4-06107,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1ccoc1,DOZXHLMVKLQJBI-UHFFFAOYSA-N,4,1,0.5,55,390,422.807,4.213,5,0.392,0.63,1.0,0.6809163182783908,0.7901446096909054,0.7281714755671305,0.7518590226852169,0.7377728565554109
EOS-4-06108,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-n5cccn5)nc4)n23)ccc1Cl,QVIPXIOIQRHWRB-UHFFFAOYSA-N,4,1,0.536,16,214,428.843,3.476,5,0.421,0.72,1.0,0.5306267562195874,0.6859879377698581,0.7335086697279145,0.7227657460078131,0.6682222774312933
EOS-4-06109,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cccc(C(F)(F)F)c5)nn4)n23)s1,HEMZMSOPGDILQQ-UHFFFAOYSA-N,4,1,0.436,54,691,487.442,4.484,5,0.326,0.59,1.0,0.7048351723665273,0.6809848536769242,0.8682920978685491,0.8211483106024261,0.7688151086286067
EOS-4-06110,CC(C)(O)c1ccc(-c2nnc3cncc(Cc4ccc(C5(F)CCCC5)nc4)n23)cn1,DXYCOYZIRZJACY-UHFFFAOYSA-N,4,1,0.366,78,345,432.503,4.138,5,0.51,0.56,0.993,0.3947124940031526,0.42968268110479063,0.25980056199026796,0.30001370707970665,0.34605236104447945
EOS-4-06111,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)ncc1Cl,CXFIYXRURHTEEN-UHFFFAOYSA-N,4,1,0.539,11,490,470.892,4.863,5,0.352,0.72,1.0,0.9319443492563909,0.9324497978205744,0.8060019875265575,0.8310516756904941,0.8753619525735042
EOS-4-06112,COc1cc(-c2nnc3cncc(COc4ncc(F)cn4)n23)ccc1-c1cncnc1,DBHYENGXESGISX-UHFFFAOYSA-N,4,1,0.373,82,767,430.403,2.765,5,0.401,0.65,1.0,0.7109262559111781,0.5419008292783223,0.44030566787745873,0.30967719827290796,0.5007024878349667
EOS-4-06113,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncn5)n34)ccc2F)cn1,RRQBCTBEGCQYEP-UHFFFAOYSA-N,4,1,0.484,4,911,432.394,3.204,5,0.39,0.69,1.0,0.7707233911315194,0.7335086697279145,0.6265506133918168,0.5647745185388253,0.6738892981975191
EOS-4-06114,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccoc1,GIRDJQJWPULBCS-UHFFFAOYSA-N,4,1,0.558,35,352,442.866,4.593,5,0.354,0.63,1.0,0.935165512987458,0.8817678706051676,0.8638372969638819,0.8603419916386814,0.8852781680487972
EOS-4-06115,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1-c1cncs1,WODJIBQNQJKSMA-UHFFFAOYSA-N,4,1,0.575,34,436,438.875,4.681,5,0.396,0.75,1.0,0.8255945445822768,0.9382924405455417,0.7048009046672606,0.7648207799328353,0.8083771674319786
EOS-4-06116,CCc1nc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)ccc1-c1ncc(F)cn1,ZZUXRLIWEVKIIT-UHFFFAOYSA-N,4,1,0.426,46,665,479.878,4.716,5,0.348,0.72,0.936,0.7590381056815846,0.7643495990679186,0.644935234048386,0.6955571927900761,0.7159700328969913
EOS-4-06117,OCc1nnc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)cc2F)o1,MQHAWWZFZMDCNF-UHFFFAOYSA-N,4,1,0.385,14,487,437.366,2.586,5,0.399,0.74,1.0,0.6717068741004729,0.7009286546501268,0.5240559248852033,0.4921441299431156,0.5972088958947296
EOS-4-06118,Cn1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)c5)n34)ccc2F)n1,RTHQJIKFGRUATH-UHFFFAOYSA-N,4,1,0.61,34,16,437.385,3.583,5,0.418,0.7,1.0,0.7935885134672058,0.8024638475772736,0.8341614693989445,0.8290127475841272,0.8148066445068878
EOS-4-06119,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3cc(F)c(Cl)nn3)n12,QCKKOWZFOOCFDY-UHFFFAOYSA-N,4,1,0.506,37,832,470.892,4.863,5,0.352,0.69,1.0,0.8304948255774107,0.8897094099102186,0.7669539442121855,0.8331334384209444,0.8300729045301899
EOS-4-06120,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nn5)n34)cn2)cc1=O,GONSVTQBVNIWGU-UHFFFAOYSA-N,4,1,0.432,27,52,481.398,2.335,5,0.372,0.61,1.0,0.4488211911452265,0.47832568021383043,0.6532708518950038,0.46168014529504486,0.5105244671372764
EOS-4-06121,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c1,CXPUJHSJEPWPJR-UHFFFAOYSA-N,4,1,0.518,24,28,457.853,4.215,5,0.365,0.64,1.0,0.5986481392639298,0.7814577479268042,0.6564063463779042,0.7010314577479269,0.6843859228291413
EOS-4-06123,Cc1ccc(-c2nnc3cncc(OCCc4ccc(C(F)(F)F)cn4)n23)nc1,GKAFPBSIKRVXNH-UHFFFAOYSA-N,4,1,0.494,68,457,400.364,3.53,4,0.51,0.76,1.0,0.6295062024535673,0.6089284490439312,0.9221095195668563,0.8191265163456926,0.7449176718525118
EOS-4-06124,Fc1ccnc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,ZYUOIUPHOWPVOL-UHFFFAOYSA-N,4,1,0.476,24,786,439.863,4.076,5,0.381,0.67,1.0,0.7736104447947365,0.7858183126584881,0.6150109656637653,0.6465458159139196,0.7052463847577274
EOS-4-06126,Fc1cnc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncco5)c4)n23)c1,HOKRKARRJZPPPJ-UHFFFAOYSA-N,4,1,0.5,24,199,407.34,3.094,5,0.41,0.59,1.0,0.8176101706531423,0.5419093962031389,0.6061527654033309,0.5517442258926736,0.6293541395380714
EOS-4-06127,Fc1cncc(-c2nnc(-c3cncc4nnc(-c5ccc(C(F)F)nc5)n34)s2)c1,KRBGBGURJPVMGK-UHFFFAOYSA-N,4,1,0.387,50,243,426.387,3.844,5,0.431,0.71,0.09,0.18509697758892468,0.4251936125008567,0.5965149749845795,0.6258652594064834,0.45816770612021107
EOS-4-06128,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccncc5)c(F)c4)n23)cc1F)N1CCCC1,NCJUEBPGRCXFBY-UHFFFAOYSA-N,4,1,0.365,62,376,482.494,5.035,6,0.359,0.86,1.0,0.1708587485436228,0.18585943389760812,0.22757179082996368,0.5252552943595367,0.2773863169076828
EOS-4-06129,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)c1,OGJOATBEKXJBDQ-UHFFFAOYSA-N,4,1,0.542,4,338,422.42,4.167,5,0.396,0.76,1.0,0.5959238571722295,0.7058546364197108,0.697184908505243,0.7036529367418272,0.6756540847097526
EOS-4-06130,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1F,XVDBVBKBZXJXDR-UHFFFAOYSA-N,4,1,0.747,48,378,470.302,3.674,4,0.465,0.9,1.0,0.8631176752792817,0.5282023164964704,0.7125111370022617,0.6318706737029676,0.6839254506202452
EOS-4-06131,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Br)c(C)c4F)n23)cc1F,ZPUYQRZTCGTGQG-UHFFFAOYSA-N,4,1,0.354,0,682,472.293,4.557,4,0.473,0.82,1.0,0.3858799945171681,0.40676615722020426,0.8391131519429785,0.7886025632239051,0.6050904667260639
EOS-4-06132,Oc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cscn1,OMXXPHBECXTBTA-UHFFFAOYSA-N,4,1,0.534,35,161,434.456,3.776,5,0.434,0.61,1.0,0.8353779727229114,0.7688386676718525,0.6239548351723665,0.5681584538414091,0.6990824823521349
EOS-4-06133,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cnc5F)n34)cc2F)n1,RCBGNYVLUNZJSX-UHFFFAOYSA-N,4,1,0.527,37,563,480.866,3.9,5,0.337,0.59,1.0,0.9431413199917758,0.9514940716880269,0.6295062024535673,0.6549157014598039,0.7947643238982934
EOS-4-06134,Cc1cncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cc5F)n34)ccn2)c1,JHAIOIKKKCHVEK-UHFFFAOYSA-N,4,1,0.489,75,496,447.861,4.323,5,0.396,0.64,1.0,0.6656157905558221,0.6809934206017408,0.714952710575012,0.714901309026112,0.6941158076896717
EOS-4-06135,Fc1ccnc(F)c1COc1cncc2nnc(-c3cncc(-c4cscn4)c3)n12,SZXRWAFCBYYCND-UHFFFAOYSA-N,4,1,0.438,2,422,423.408,3.562,5,0.399,0.63,1.0,0.6837434034678912,0.5698975395791926,0.6725635665821397,0.6521485847440203,0.644588273593311
EOS-4-06136,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cocn5)cc4F)n23)n1,DTKXSLVEGNNQAB-UHFFFAOYSA-N,4,1,0.541,1,31,406.352,3.699,5,0.411,0.66,1.0,0.7650949215269687,0.6909738880131588,0.7691642108148858,0.7467788362689329,0.7430029641559865
EOS-4-06137,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)ccc2F)o1,JHVANBPFIPLLGU-UHFFFAOYSA-N,4,1,0.553,35,429,434.406,4.049,5,0.398,0.71,1.0,0.9515711740113769,0.8219707353848262,0.7573161537934343,0.7065314234802276,0.8093473716674662
EOS-4-06138,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,MYCWOJMCIWNVLV-UHFFFAOYSA-N,4,1,0.57,75,496,418.457,4.07,5,0.387,0.82,1.0,0.8074754985950243,0.7009372215749434,0.5710883421287095,0.5551281611952573,0.6586573058734837
EOS-4-06139,Fc1cc(-c2ncsn2)cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)c1,UROUIQJFXWODQL-UHFFFAOYSA-N,4,1,0.524,73,82,442.386,3.096,5,0.383,0.66,1.0,0.564526077719142,0.5852666027002947,0.5069049414022343,0.5252638612843533,0.5454903707765061
EOS-4-06140,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ncc(F)cn5)n4)n23)cc1F,AWTVSDLFVKJGBT-UHFFFAOYSA-N,4,1,0.35,45,155,448.368,2.826,5,0.448,0.7,1.0,0.28578404495922144,0.3209855390309095,0.5376687684188883,0.5616133232814748,0.42651291892262355
EOS-4-06142,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(C(F)F)nn4)n23)cc1F,QFAMZYIHLLPFSG-UHFFFAOYSA-N,4,1,0.388,66,225,414.351,2.369,4,0.496,0.8,1.0,0.1736001644849565,0.1731375505448564,0.5575868686176411,0.43013672812007403,0.333615327941882
EOS-4-06143,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)ccn2)nc1,VNKUKIDUWBKWFO-UHFFFAOYSA-N,4,1,0.506,24,199,434.822,3.41,5,0.387,0.69,1.0,0.6440528407922692,0.6664553491878555,0.5837845247070111,0.605013364402714,0.6248265197724625
EOS-4-06144,OCc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(Cl)nn5)n4)n23)cn1,MTSLJLWVYSBYNI-UHFFFAOYSA-N,4,1,0.462,4,390,465.836,2.297,5,0.397,0.6,0.999,0.7623106709615517,0.7515934480159002,0.3109108354465081,0.3247549859502433,0.5373924850935509
EOS-4-06145,Fc1nccnc1-c1cnc(Cl)c(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,GOVNFXJTGIJTPF-UHFFFAOYSA-N,4,1,0.44,55,875,470.255,3.458,5,0.356,0.6,0.999,0.570300185045576,0.6810019875265575,0.4582705092180111,0.555136728120074,0.5661773524775546
EOS-4-06146,Fc1cnccc1OCc1cncc2nnc(-c3ccc(-c4cccnc4F)nn3)n12,SWXJGQYYHKEXRX-UHFFFAOYSA-N,4,1,0.347,54,920,418.367,2.896,5,0.402,0.74,1.0,0.5560191213761908,0.5057055719279008,0.5443595367007059,0.545361866904256,0.5378615242272634
EOS-4-06148,COc1cc(-c2nnc3cncc(OCc4nncc(C)c4F)n23)ccc1-c1ccccc1F,WWCXQTDXTVXXSQ-UHFFFAOYSA-N,4,1,0.449,43,955,460.444,4.423,5,0.371,0.6,1.0,0.7878486738400384,0.8024724145020903,0.7871975875539716,0.7227743129326297,0.7750732472071825
EOS-4-06149,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCCc4ccc(F)c(F)c4)n23)cc1,CTKDOMIDHVDZDN-UHFFFAOYSA-N,4,1,0.614,91,781,446.461,4.482,5,0.345,0.81,1.0,0.9515797409361936,0.7772256870673703,0.8269909533273936,0.79990233705709,0.8389246795970119
EOS-4-06150,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)c(Cl)c4)n23)c1,PJPPCQODZMLFBK-UHFFFAOYSA-N,4,1,0.565,35,429,452.902,4.724,5,0.371,0.74,1.0,0.9230347474470564,0.9307107120827908,0.7125197039270783,0.7544119662805839,0.8301692824343774
EOS-4-06151,O=C(c1ccc(-c2cncc3nnc(-c4ccncc4-c4ccc(F)c(F)c4)n23)cc1)N1CCCC1,LRAFJWKGNYIWMU-UHFFFAOYSA-N,4,1,0.41,62,376,482.494,5.035,6,0.359,0.81,1.0,0.15189157699952024,0.14538928106366938,0.23129840312521419,0.5154718662189021,0.26101278185182647
EOS-4-06152,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(C#N)c4)n23)cc1F,CKAFGDTXAZANIL-UHFFFAOYSA-N,4,1,0.427,90,678,419.395,2.913,4,0.515,0.84,1.0,0.3421030087039956,0.38786752107463507,0.8103454184086081,0.7123312315811117,0.5631617949420876
EOS-4-06153,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2OC)cn1,YGMFCMFXSAZKHC-UHFFFAOYSA-N,4,1,0.527,35,729,472.48,4.026,5,0.313,0.72,1.0,0.897899390034953,0.7939997258584058,0.7229285175793297,0.5185987937769858,0.7333566068124185
EOS-4-06154,N#Cc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,JCSCUJDOVJGBBQ-UHFFFAOYSA-N,4,1,0.478,35,632,454.881,3.79,5,0.356,0.7,1.0,0.8738777328490165,0.8973254060722363,0.6324703584401343,0.6434274552806525,0.7617752381605098
EOS-4-06155,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,VGXHWXUCCMXLNL-UHFFFAOYSA-N,4,1,0.597,35,559,436.447,4.21,5,0.397,0.72,1.0,0.9134740593516552,0.9017116715783702,0.6944092248646426,0.6811904598725241,0.797696353916798
EOS-4-06156,N#Cc1nc(COc2cncc3nnc(-c4cc(-c5cnccn5)ncn4)n23)ccc1F,VLYYJZNZFHYDFP-UHFFFAOYSA-N,4,1,0.396,7,726,426.375,2.023,5,0.41,0.54,0.659,0.5407871290521554,0.5237046809677198,0.3294325269001439,0.2968525118223562,0.42269421218559383
EOS-4-06157,Fc1cc(-c2nnc3cncc(Cc4cnc(Cl)nn4)n23)ccc1-c1csnn1,KSWJVTDFMDVKBT-UHFFFAOYSA-N,4,1,0.35,85,487,425.84,2.878,5,0.432,0.62,1.0,0.24038791035569873,0.3689603180042492,0.2598091289150846,0.3953293125899527,0.3161216674662463
EOS-4-06158,Cc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ncc(Cl)cn1,ODSYUKBSEPKRBS-UHFFFAOYSA-N,4,1,0.58,35,509,443.898,4.227,5,0.388,0.71,1.0,0.9089507230484545,0.8817764375299842,0.49613631690768284,0.48904290315948185,0.6939765951614009
EOS-4-06159,Fc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)cn5)n34)nc2)cn1,ZZDSEECRXTYXQD-UHFFFAOYSA-N,4,1,0.325,86,957,448.425,3.301,6,0.4,0.68,1.0,0.20461243232129395,0.29559317387430606,0.3704680967719827,0.3923737235282023,0.31576185662394624
EOS-4-06160,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(F)n2)nc1,DQYATONMAFOOHR-UHFFFAOYSA-N,4,1,0.461,65,262,433.382,2.333,5,0.372,0.67,1.0,0.7707319580563361,0.790153176615722,0.16021862792132135,0.18298094715920774,0.4760211774381468
EOS-4-06161,COc1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1ncccn1,HKZRBGLRGTUZHL-UHFFFAOYSA-N,4,1,0.54,35,982,443.442,3.413,5,0.377,0.69,1.0,0.914947570420122,0.7901617435405387,0.5409070659995888,0.4237800699061065,0.667449112466589
EOS-4-06162,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)cn1,YVAAGFDROSFECC-UHFFFAOYSA-N,4,1,0.46,55,282,414.404,3.065,5,0.432,0.79,1.0,0.8403553560413953,0.7516020149407169,0.5275340963607703,0.4364762524844082,0.6389919299568227
EOS-4-06163,Cc1cnc(OCc2cncc3nnc(-c4ccc(-c5ncccc5F)nc4F)n23)cn1,ZKEJBRGATLZEIZ-UHFFFAOYSA-N,4,1,0.369,85,767,432.394,3.204,5,0.39,0.65,1.0,0.5755088753341101,0.6417055033925022,0.407545747378521,0.3699883489822493,0.4986871187718456
EOS-4-06164,Cc1cnc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2)cn1,ZQYNESMZYUWWHR-UHFFFAOYSA-N,4,1,0.416,54,251,418.367,3.417,5,0.437,0.75,1.0,0.65001542046467,0.5994191624974299,0.5342334315674045,0.5386111301487219,0.5805697861695566
EOS-4-06165,Fc1c(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4Cl)n23)ccnc1Cl,VTTBDVKBCYVQLH-UHFFFAOYSA-N,4,1,0.511,37,832,471.283,4.039,5,0.373,0.6,1.0,0.8256031115070934,0.8532742786649304,0.7932886710986224,0.844955794667946,0.829280463984648
EOS-4-06166,CNC(=O)c1ccc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)cc1F,CQPFGLMWRKXTBA-UHFFFAOYSA-N,4,1,0.506,90,133,414.347,2.542,4,0.539,0.79,1.0,0.6809248852032075,0.5468182441230895,0.7531097937084504,0.6722551572887396,0.6632770200808717
EOS-4-06167,COc1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1cccnc1F,PSWLISUFRSDCSP-UHFFFAOYSA-N,4,1,0.527,11,848,460.444,4.157,5,0.337,0.68,1.0,0.9372472757179083,0.8793005962579672,0.7691727777397026,0.6782691385100404,0.8159974470564046
EOS-4-06168,Fc1cc(F)nc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4F)n23)c1,LXKXATMZOBWZDM-UHFFFAOYSA-N,4,1,0.474,37,832,438.373,3.01,5,0.406,0.68,0.989,0.7935970803920225,0.7982660544171064,0.720444109382496,0.7308443561099308,0.7607879000753889
EOS-4-06169,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4cocn4)cc3Cl)n12,RCEGTLXZDCXOIN-UHFFFAOYSA-N,4,1,0.489,37,0,437.822,3.65,5,0.396,0.58,1.0,0.7963127955589062,0.7472328832842163,0.5443681036255226,0.6050219313275307,0.6732339284490438
EOS-4-06170,Fc1cnc(-c2ccnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)c2)nc1,NWQWJHGYHBMCKA-UHFFFAOYSA-N,4,1,0.529,73,82,434.822,3.41,5,0.387,0.67,1.0,0.6897745185388253,0.8681378932218491,0.5342419984922212,0.5584692618737578,0.6626559180316633
EOS-4-06171,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)c(F)c1,XJVHKFDCCUTVSD-UHFFFAOYSA-N,4,1,0.407,0,999,425.826,4.282,5,0.529,0.89,1.0,0.3789921869645672,0.5901240490713453,0.7760948529915701,0.8884843396614351,0.6584238571722294
EOS-4-06172,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)cn2)nc1,NCHBTJIXUWUGFB-UHFFFAOYSA-N,4,1,0.505,65,262,446.421,3.246,5,0.366,0.68,1.0,0.8380251524912617,0.8845007196216846,0.48253204029881436,0.42081591391953943,0.656468456582825
EOS-4-06173,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCCc3ccncc3)n12,ADFKYBSLBWVCEC-UHFFFAOYSA-N,4,1,0.53,35,393,432.484,4.461,5,0.353,0.78,1.0,0.7906243574806388,0.8500531149338634,0.5677986429991091,0.5744894112809266,0.6957413816736344
EOS-4-06175,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ncno5)c(Cl)c4)n23)c1F,NISKHIMWFZOLSE-UHFFFAOYSA-N,4,1,0.5,73,526,441.785,3.747,5,0.406,0.7,1.0,0.7444314988691659,0.7643581659927352,0.7872061544787883,0.8083664587759578,0.7760905695291618
EOS-4-06176,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)nc1Cl,YVJGAMRICGXNTR-UHFFFAOYSA-N,4,1,0.495,58,143,470.892,4.863,5,0.33,0.66,1.0,0.8651394695360154,0.8950808717702693,0.7335172366527312,0.7744842711260366,0.8170554622712631
EOS-4-06177,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)c(F)c1,WQMUXKMQWZGFHD-UHFFFAOYSA-N,4,1,0.419,0,999,425.826,4.282,5,0.529,0.87,1.0,0.46525255294359535,0.6323504214927009,0.8103539853334247,0.9006151052018367,0.7021430162428894
EOS-4-06178,Cc1nc(-c2nnc3cncc(OCc4ncc(Cl)s4)n23)c(-c2ccc(F)c(F)c2)s1,UFSWKXQBTMNGFF-UHFFFAOYSA-N,4,1,0.444,59,469,476.921,5.19,5,0.347,0.77,0.999,0.5000685353985334,0.5901326159961621,0.4721060927969296,0.5931910081557125,0.5388745630868343
EOS-4-06179,COc1cc(COc2cncc3nnc(-c4ccc(-c5cnc(F)cn5)c(OC)c4)n23)ccn1,ULSPLRSJEQBPSY-UHFFFAOYSA-N,4,1,0.452,16,248,459.441,3.379,5,0.362,0.67,1.0,0.7936056473168391,0.7009457884997601,0.6061613323281475,0.3797375094236173,0.620112569392091
EOS-4-06180,Fc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1ncsn1,RYVZSBXVGMHTOA-UHFFFAOYSA-N,4,1,0.565,35,325,455.425,3.744,5,0.36,0.59,1.0,0.8519121376190802,0.8735350558563498,0.7335258035775478,0.7254814611746967,0.7961136145569188
EOS-4-06181,Oc1cc(-c2nnc3cncc(OCCc4nnc(Cl)cc4F)n23)ccc1-c1cccnc1,ZBDPVKZQUPFEOQ-UHFFFAOYSA-N,4,1,0.479,72,132,463.86,3.763,5,0.405,0.64,1.0,0.8305033925022274,0.8257658830786101,0.564217668425742,0.617289767664999,0.7094441779178946
EOS-4-06182,Fc1cc(-c2cscn2)cc(-c2nnc3cncc(OCc4ccc(Cl)s4)n23)c1,SLHOPBFBGXTXMD-UHFFFAOYSA-N,4,1,0.612,4,439,443.916,5.348,5,0.366,0.66,1.0,0.5959324240970462,0.7381605099033651,0.7956103077239394,0.8310602426153109,0.7401908710849154
EOS-4-06183,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4Br)n23)ccn1,NWZWQWVAJLIQPK-UHFFFAOYSA-N,4,1,0.523,58,262,493.3,3.561,5,0.331,0.68,1.0,0.8854602152011514,0.8562127338770475,0.35562161606469744,0.3537197587553972,0.6127535809745734
EOS-4-06184,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4ccsc4)c3)n12,SKXHWGFZKJCCSU-UHFFFAOYSA-N,4,1,0.612,75,496,418.457,4.07,5,0.414,0.77,1.0,0.7623192378863684,0.6909824549379755,0.6295147693783839,0.6113100541429648,0.6735316290864232
EOS-4-06185,Cc1ccc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)c(F)c1,FAHMZKJRVRXDHA-UHFFFAOYSA-N,4,1,0.554,90,281,402.792,3.443,4,0.476,0.74,1.0,0.9149561373449386,0.9505431430333767,0.6388098828044685,0.6897231169899253,0.7985080700431773
EOS-4-06186,CCn1cnnc1-c1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1F,XQHBTHDFRXBWMR-UHFFFAOYSA-N,4,1,0.432,36,908,453.388,2.856,5,0.361,0.62,1.0,0.5986567061887464,0.6760845726817901,0.3856229867726681,0.3984391062984031,0.514700842985402
EOS-4-06187,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)nc1,UWRZBUFMDBDRES-UHFFFAOYSA-N,4,1,0.466,51,262,433.382,2.333,5,0.372,0.67,1.0,0.7990370776506065,0.7730450277568364,0.16022719484613804,0.1803080666164074,0.47815434171749704
EOS-4-06188,Cc1ccc(-c2nnc3cncc(OCCc4cc(F)c(-c5ncc(F)cn5)cn4)n23)c(F)n1,STAOZOYAEONJBC-UHFFFAOYSA-N,4,1,0.479,73,263,464.411,3.386,5,0.352,0.61,1.0,0.8541309711465972,0.879309163182784,0.5101432389829347,0.48905147008429856,0.6831587108491536
EOS-4-06189,N#Cc1cc(-c2nnc3cncc(OCc4ncnc(-c5cnccn5)n4)n23)ccc1Cl,BWSMXKVJPXSFFS-UHFFFAOYSA-N,4,1,0.483,51,839,442.83,2.537,5,0.398,0.67,0.991,0.7851329586731547,0.9041960797752039,0.3257487492289768,0.3765334795421835,0.5979028168048798
EOS-4-06190,Fc1cncc(-c2cc(-c3nnc4cncc(OCCc5cc(F)ccn5)n34)ccn2)c1,ZPHJLKKXRGJARV-UHFFFAOYSA-N,4,1,0.522,75,496,431.406,3.543,5,0.406,0.65,1.0,0.7963213624837229,0.747241450209033,0.6809677198272908,0.6870331025974916,0.7278909087793846
EOS-4-06191,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc(Cl)cnc4OC(F)F)n23)cc1,GPWJNLZJTKVDEJ-UHFFFAOYSA-N,4,1,0.375,66,437,445.817,3.253,4,0.485,0.8,0.955,0.7204269755328627,0.6810105544513742,0.492726680830649,0.4208244808443561,0.5787471729148105
EOS-4-06192,Cc1cnnc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)cc2F)n1,XIBIYPOEYOOUPG-UHFFFAOYSA-N,4,1,0.396,14,351,432.394,3.204,5,0.39,0.66,1.0,0.5930539373586458,0.6274587074223836,0.5710969090535262,0.5386196970735385,0.5825573127270235
EOS-4-06193,Cc1nc(Cl)cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)n1,DYQYUBLIIUSPOA-UHFFFAOYSA-N,4,1,0.447,4,390,483.294,4.372,5,0.268,0.58,0.999,0.7444400657939826,0.8897179768350353,0.5745236789801933,0.6318792406277842,0.7101402405592487
EOS-4-06194,Fc1cc(-c2nnc3cncc(OCCc4ncncc4F)n23)ccc1-c1cnco1,KANDQVBZXDMQDW-UHFFFAOYSA-N,4,1,0.523,35,215,421.367,3.136,5,0.412,0.7,1.0,0.8926992666712357,0.7058632033445275,0.5837930916318278,0.5869542868891783,0.6923274621341923
EOS-4-06195,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1F,LUSZMVSGDOYYJJ-UHFFFAOYSA-N,4,1,0.722,48,378,439.878,3.955,4,0.471,0.84,1.0,0.835386539647728,0.5994277294222465,0.6918305804948256,0.6606812418614214,0.6968315228565554
EOS-4-06196,Fc1cnc(Cl)nc1COc1cncc2nnc(-c3ccnc(-c4cccnn4)c3)n12,XBSNLDFHKSQVTI-UHFFFAOYSA-N,4,1,0.473,24,486,435.81,2.805,5,0.384,0.64,0.996,0.6471883352751696,0.6274672743472003,0.33341614693989446,0.36689568912343223,0.4937418614214242
EOS-4-06197,Fc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,JIYFAXAMLJGTLT-UHFFFAOYSA-N,4,1,0.506,65,263,449.837,2.847,5,0.36,0.68,1.0,0.8798403125214174,0.9017202385031869,0.2928688917826057,0.3440819683366459,0.6046278527859641
EOS-4-06199,CC(F)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cn1,IDGWEIGCYUCWNU-UHFFFAOYSA-N,4,1,0.473,27,817,446.421,3.787,5,0.388,0.69,1.0,0.6295147693783839,0.710463641971078,0.669950654513056,0.5517527928174902,0.640420464670002
EOS-4-06200,Cc1nc(-c2cncnc2F)cc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)n1,HHYRYLCQXVDILY-UHFFFAOYSA-N,4,1,0.376,46,330,451.372,2.738,5,0.372,0.62,0.625,0.6184377355904325,0.5653056678774587,0.4927352477554657,0.47404221780549655,0.5376302172572134
EOS-4-06201,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cc2F)cn1,VBBWCKLAKMOYNG-UHFFFAOYSA-N,4,1,0.466,51,196,448.849,3.718,5,0.4,0.64,1.0,0.865148036460832,0.8468919196765129,0.5138355835789186,0.5186073607018025,0.6861207251045165
EOS-4-06202,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4cc(F)c(Cl)cn4)n23)cc1F,HZQUTTOFEGRROF-UHFFFAOYSA-N,4,1,0.32,73,291,466.883,3.808,5,0.409,0.65,1.0,0.40321945034610374,0.43436022205469127,0.7204526763073127,0.7415872798300323,0.5749049071345349
EOS-4-06203,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)cnc5F)nn4)n23)cc1F,NOPCXCRAURNTKR-UHFFFAOYSA-N,4,1,0.345,96,768,448.368,2.827,5,0.419,0.64,0.998,0.27241964224521964,0.30052772256870675,0.6889178260571586,0.6897316839147419,0.4878992186964567
EOS-4-06204,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1cnccn1,TWBLRVNPBJUSSE-UHFFFAOYSA-N,4,1,0.478,16,540,463.86,4.023,5,0.372,0.64,1.0,0.8256116784319101,0.742829483928449,0.7149612774998286,0.6549242683846207,0.7345816770612021
EOS-4-06205,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)ncc1Cl,UGHXBOODDLMAPX-UHFFFAOYSA-N,4,1,0.533,88,490,470.892,4.863,5,0.352,0.74,1.0,0.9216640394763895,0.9354396545815914,0.8040144609690906,0.8331420053457611,0.8735650400932081
EOS-4-06206,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccc(F)c4CCF)n23)c(F)c1F,ZBHDOXFXPCSWDR-UHFFFAOYSA-N,4,1,0.309,90,129,430.365,3.142,4,0.492,0.72,0.51,0.3583373312315811,0.39715406757590294,0.717557055719279,0.7065399904050442,0.5448971112329518
EOS-4-06207,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)c(F)c2)n1,BJDXVXUMRZKSBN-UHFFFAOYSA-N,4,1,0.483,34,712,437.385,3.583,5,0.391,0.75,1.0,0.587014255362895,0.6617092728394216,0.8269995202522102,0.7955332054005894,0.717814063463779
EOS-4-06208,Cc1nc(-c2nnc3cncc(OCc4cnc(C#N)c(F)c4)n23)ccc1-c1ccccn1,PCTPTXPQTUGTPR-UHFFFAOYSA-N,4,1,0.436,46,348,438.426,3.542,5,0.409,0.6,1.0,0.7792903159481872,0.6713641971078061,0.5607994654238915,0.4861301487218148,0.6243960318004249
EOS-4-06210,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4F)n23)nc1Cl,HUKCSSWRBQJTER-UHFFFAOYSA-N,4,1,0.466,58,143,456.8,3.184,5,0.28,0.67,1.0,0.7936142142416558,0.7814663148516209,0.3704766636967994,0.4301452950448907,0.5939256219587417
EOS-4-06211,Fc1cnccc1OCc1cncc2nnc(-c3ccc(-c4ncc(Cl)nn4)nc3)n12,ORKKUDSDBGTQPF-UHFFFAOYSA-N,4,1,0.375,85,767,435.81,2.805,5,0.41,0.71,1.0,0.6157220204235487,0.6089370159687478,0.3480655883763964,0.3894267013912686,0.4905378315399904
EOS-4-06212,Fc1ccccc1CCOc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,RQFOFEZNQBDDLO-UHFFFAOYSA-N,4,1,0.646,84,73,413.416,3.404,5,0.421,0.73,1.0,0.7263724213556302,0.7150469467479953,0.615019532588582,0.6144626824754986,0.6677253957919265
EOS-4-06213,Cc1cc(-c2nc(-c3nnc4cncc(OCc5ccnc(C#N)c5)n34)ccc2F)ncn1,OCRIDOUGEJESIA-UHFFFAOYSA-N,4,1,0.374,46,238,439.414,2.937,5,0.406,0.71,1.0,0.7590466726064012,0.6617178397642383,0.4754129257761634,0.41110958810225484,0.5768217565622644
EOS-4-06214,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4Cl)n23)c1,NODITZILCJLAPS-UHFFFAOYSA-N,4,1,0.553,37,325,455.812,3.789,5,0.356,0.68,1.0,0.8380337194160784,0.8434994174491125,0.7229370845041464,0.7544205332054006,0.7897226886436846
EOS-4-06215,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)c(Cl)c3)n12,MRTWJTZNPZRZDD-UHFFFAOYSA-N,4,1,0.571,35,161,452.902,4.724,5,0.371,0.74,1.0,0.879848879446234,0.922143787266123,0.7358902748269481,0.7672537865807689,0.8262841820300186
EOS-4-06216,Fc1cncc(F)c1COc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,AMGDEBZTJDHUKK-UHFFFAOYSA-N,4,1,0.519,24,199,423.408,3.562,5,0.427,0.7,1.0,0.7204355424576794,0.5852751696251114,0.6532794188198204,0.6347405935165513,0.6484326811047907
EOS-4-06217,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3OC(F)F)n12,LWQOFJSRRWYWQG-UHFFFAOYSA-N,4,1,0.489,58,710,485.451,4.067,5,0.303,0.7,1.0,0.7906329244054554,0.8710934822835995,0.602923034747447,0.532211637310671,0.6992152696867933
EOS-4-06218,Fc1cc(-c2ncno2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cc3F)n12,DESCPUDBQJKVHG-UHFFFAOYSA-N,4,1,0.472,73,526,441.785,3.747,5,0.406,0.68,1.0,0.7171287094784456,0.7150555136728121,0.7597148927421012,0.7861781235007882,0.7445193098485369
EOS-4-06219,N#CCCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)cc1,UHSXZYXLJZFYDE-UHFFFAOYSA-N,4,1,0.424,0,678,449.877,3.839,4,0.415,0.86,1.0,0.362774998286615,0.4429185799465424,0.6809762867521074,0.6377732849016517,0.5311107874717291
EOS-4-06220,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)c(F)c1,GHDGCMLLLBCSMH-UHFFFAOYSA-N,4,1,0.416,0,21,449.417,3.671,5,0.51,0.91,1.0,0.14605750119936947,0.08242238366116099,0.08034918785552737,0.23172674936604756,0.13513895552052635
EOS-4-06221,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnsn5)nc4F)n23)c1F,HEMATQUGFHRFFI-UHFFFAOYSA-N,4,1,0.494,65,265,456.413,3.139,5,0.359,0.52,0.999,0.809908505242958,0.7688472345966691,0.554648413405524,0.5809488725926941,0.6785882564594612
EOS-4-06222,Fc1cnc(F)c(COc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)c1,VTBXKOCVNCOHII-UHFFFAOYSA-N,4,1,0.449,2,422,423.408,3.562,5,0.399,0.57,1.0,0.67474813241039,0.5800150777876774,0.6809848536769242,0.6521571516688369,0.6469763038859572
EOS-4-06223,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cncnc6)ncn5)n34)cn2)cn1,SJIYVINLPCFHQC-UHFFFAOYSA-N,4,1,0.299,94,165,448.425,3.301,6,0.374,0.62,0.993,0.2512079363991502,0.35431087656774723,0.5175279281749023,0.5018675896100336,0.40622858268795836
EOS-4-06224,Fc1cnc(-c2ccc(-c3cncc4nnc(-c5ccc(-c6ccsc6)cc5)n34)nc2)cn1,HKCOSWKTXHMOAM-UHFFFAOYSA-N,4,1,0.375,42,818,451.49,5.178,6,0.367,0.7,1.0,0.24039647728051539,0.3736978274278665,0.7281800424919471,0.7389743677609485,0.5203121787403194
EOS-4-06225,Cn1nccc1-c1cncc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)c1,ADCSIHKXJXSOSI-UHFFFAOYSA-N,4,1,0.5,2,445,437.385,3.583,5,0.391,0.67,1.0,0.5124905763827017,0.537471729148105,0.9058237954903707,0.8732009457884997,0.7072467617024193
EOS-4-06226,N#Cc1cc(F)c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1,XCYYAALSZMQEFR-UHFFFAOYSA-N,4,1,0.379,0,188,434.381,3.639,5,0.529,0.86,1.0,0.3374083339044617,0.5010708656020835,0.8289527791104105,0.889752244534302,0.6392960557878145
EOS-4-06227,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c1F,WMSVTOXJNKUVJZ-UHFFFAOYSA-N,4,1,0.512,58,698,471.88,4.258,5,0.342,0.59,1.0,0.7822202042354877,0.8817850044548009,0.6621033513809883,0.6870416695223083,0.7532875573983964
EOS-4-06229,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4nccs4)c3)n12,YLAMCOLYJVXINU-UHFFFAOYSA-N,4,1,0.566,35,161,436.447,4.21,5,0.397,0.75,1.0,0.8873449386608183,0.8845092865465013,0.7335343705023645,0.728000137070797,0.8083471831951203
EOS-4-06230,Cc1ncc(-c2nnc3cncc(OCc4ccc(F)c(-c5ccnc(F)c5)n4)n23)cn1,XBWQJIALMVXCMN-UHFFFAOYSA-N,4,1,0.473,51,390,432.394,3.204,5,0.39,0.62,0.998,0.6044565142896305,0.6041224042217805,0.5478291412514564,0.4890600370091152,0.5613670241929957
EOS-4-06231,Fc1cc(-c2nnc3cncc(-c4cnc(-c5cnco5)cn4)n23)ccc1-c1ccsc1,WMMKCOHBQLWYKQ-UHFFFAOYSA-N,4,1,0.365,42,72,441.451,4.771,6,0.389,0.7,1.0,0.37442601603728326,0.4649955451990953,0.6671578370228223,0.6897402508395586,0.5490799122746899
EOS-4-06232,Cc1nc(-c2cccnc2F)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,FHDRLGGHUMWYBD-UHFFFAOYSA-N,4,1,0.489,35,161,445.433,3.851,5,0.367,0.72,1.0,0.8651566033856487,0.8065588376396409,0.6388184497292851,0.5989736824069632,0.7273768932903845
EOS-4-06233,N#Cc1cc(-c2nnc3cncc(OCCc4cccc(-c5cncnc5)n4)n23)ccc1Cl,RFIWQMJSMKFZOB-UHFFFAOYSA-N,4,1,0.505,11,215,454.881,3.79,5,0.38,0.69,0.999,0.9105099033650881,0.9515026386128436,0.6889263929819752,0.6929357137961757,0.8109686621890206
EOS-4-06234,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(-c4ncco4)nn3)n12,HTPMAVSIKBUXMK-UHFFFAOYSA-N,4,1,0.442,54,910,423.795,3.608,5,0.422,0.66,0.811,0.720444109382496,0.6089455828935645,0.5775049688163937,0.6318878075526009,0.6346956171612637
EOS-4-06235,Fc1cccc(-c2ncnnc2-c2nnc3cncc(-c4cnc(-c5cccnc5F)cn4)n23)c1,CIJVKJSTDOSIEP-UHFFFAOYSA-N,4,1,0.333,39,543,466.415,3.441,6,0.36,0.64,0.854,0.17634158042629017,0.2592351449523679,0.42180111027345624,0.5354328010417381,0.34820265917346305
EOS-4-06236,CC(C)(O)c1ncc(-c2nnc3cncc(OCc4ncc(-c5cc(F)ncn5)cn4)n23)cc1F,ATESMSOYCVSZOU-UHFFFAOYSA-N,4,1,0.398,51,969,477.435,2.518,5,0.363,0.63,0.966,0.7878572407648551,0.6909910218627922,0.47899390034953054,0.30002227400452336,0.5644661092454253
EOS-4-06237,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncc(-c5cscn5)cn4)n23)cc1,RKBNTZDINVPCMM-UHFFFAOYSA-N,4,1,0.628,27,996,453.434,3.885,5,0.366,0.75,1.0,0.8125813857857583,0.85006168185868,0.6889349599067919,0.6113186210677816,0.7407241621547529
EOS-4-06238,Fc1cnc(-c2ncc(-c3nnc4cncc(-c5ncc(Br)cn5)n34)cn2)cn1,LVAAAGGKTALLML-UHFFFAOYSA-N,4,1,0.338,86,249,451.223,2.397,5,0.407,0.69,1.0,0.25613391816873415,0.3106452607771914,0.10727503255431431,0.16371393324652184,0.20944203618669044
EOS-4-06239,Fc1cccc(Cl)c1CNCc1cncc2nnc(-c3ccc(-c4nncs4)cc3)n12,IIDCZCOWHUJRJV-UHFFFAOYSA-N,4,1,0.38,14,291,451.918,4.392,5,0.412,0.79,1.0,0.3046912480296073,0.42520217942567334,0.6835292303474745,0.7493489137139332,0.5406928928791721
EOS-4-06240,Fc1nccc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1F,YMEYFMFQMKUNRX-UHFFFAOYSA-N,4,1,0.488,24,912,423.408,3.562,5,0.399,0.62,1.0,0.6988126242204098,0.5994362963470633,0.6725721335069563,0.6258738263313001,0.6491737201014324
EOS-4-06241,COC(C)c1cnc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,SGKYTJNJPMNMEP-UHFFFAOYSA-N,4,1,0.598,90,281,428.855,3.703,4,0.443,0.65,1.0,0.762327804811185,0.7472500171338496,0.7645295044890686,0.6870502364471249,0.740289390720307
EOS-4-06242,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)cc1)N1CCC1,ASKKFTRUKTYUKH-UHFFFAOYSA-N,4,1,0.4,83,472,449.489,5.11,6,0.383,0.92,1.0,0.23761222671509835,0.29560174079912277,0.2928774587074224,0.5681670207662257,0.3485646117469673
EOS-4-06243,Cc1nc(-c2nccs2)cc(-c2nnc3cncc(Oc4ccc(F)c(F)c4F)n23)n1,GIAZWFCLDKVMRX-UHFFFAOYSA-N,4,1,0.383,44,971,441.398,4.223,5,0.386,0.68,1.0,0.6295233363032006,0.6417140703173189,0.6354773490507847,0.6287437461448838,0.633864625454047
EOS-4-06244,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4Cl)n23)c1F,FMVOAIKVYRUNLP-UHFFFAOYSA-N,4,1,0.566,73,265,455.812,3.789,5,0.381,0.67,1.0,0.8496419025426633,0.8065674045644575,0.7691813446645193,0.7932544033993557,0.8046612637927489
EOS-4-06245,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ncc5F)n34)cc2F)n1,JVISZSMXWGMICD-UHFFFAOYSA-N,4,1,0.54,37,626,451.412,3.626,5,0.367,0.62,1.0,0.8099170721677746,0.7772342539921869,0.837399766979645,0.7977006373792064,0.8055629326297034
EOS-4-06246,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4Cl)n23)cc(F)n1,POPBEKYMHYIXJU-UHFFFAOYSA-N,4,1,0.62,37,325,455.812,3.789,5,0.356,0.69,1.0,0.8541395380714139,0.810242615310808,0.7410218627921321,0.756990610650401,0.7905986567061888
EOS-4-06247,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)c(F)c4)n23)nc1,CTRPKOWSZFQBAP-UHFFFAOYSA-N,4,1,0.529,35,795,421.367,3.136,5,0.412,0.65,1.0,0.8962716743197862,0.7104722088958947,0.43281817558769103,0.43944040847097526,0.6197506168185868
EOS-4-06248,Fc1cc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)ccc1-c1ncon1,LZOOBGMQKVKNEJ-UHFFFAOYSA-N,4,1,0.524,73,526,425.33,3.233,5,0.423,0.69,1.0,0.7906414913302721,0.7472585840586663,0.7645380714138853,0.7569991775752176,0.7648593310945103
EOS-4-06250,COc1cc(-c2nnc3cncc(OCCc4cc(F)cnc4F)n23)ccc1-c1ccsc1,FCIQHXNVIGVKQB-UHFFFAOYSA-N,4,1,0.521,35,103,465.485,4.823,5,0.321,0.52,1.0,0.9319529161812076,0.8435079843739292,0.8307689671715441,0.7596292234939346,0.8414647728051539
EOS-4-06251,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccnc(Cl)c5)cn4)n23)cc1F,OPRKXRMCQXIKBT-UHFFFAOYSA-N,4,1,0.36,96,680,445.845,3.807,5,0.421,0.85,1.0,0.23493077924748132,0.32099410595572614,0.757324720718251,0.7744928380508532,0.521935610993078
EOS-4-06254,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5nnco5)cc4Cl)n23)ccc1F,LOUAOTVFXMAWNM-UHFFFAOYSA-N,4,1,0.478,4,702,448.805,3.479,5,0.396,0.7,1.0,0.7381690768281818,0.8141491330272086,0.6918391474196423,0.6897488177643754,0.733476543759852
EOS-4-06255,Fc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(C(F)F)n5)n34)c(F)n2)cs1,XLKJOSJQHZYXCT-UHFFFAOYSA-N,4,1,0.457,58,28,474.403,3.895,5,0.27,0.62,0.992,0.6747566993352067,0.773053594681653,0.5642262353505586,0.48613871564663147,0.6245438112535124
EOS-4-06256,Cc1ncccc1-c1ccc(Oc2cncc3nnc(-c4ccnc(Cl)c4)n23)nc1,SKBGRPFZKKGWBN-UHFFFAOYSA-N,4,1,0.416,97,412,415.844,4.397,5,0.402,0.72,1.0,0.6500239873894866,0.6417226372421355,0.6388270166541018,0.5989822493317799,0.632388972654376
EOS-4-06257,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cncnn5)c4)n23)c1,HXMJSHAPKSVASU-UHFFFAOYSA-N,4,1,0.516,37,589,432.394,2.938,5,0.403,0.58,1.0,0.8927078335960523,0.8500702487834967,0.6209478445617161,0.6377818518264684,0.7503769446919334
EOS-4-06259,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ncccn1,OACZVBIMFWLCRA-UHFFFAOYSA-N,4,1,0.516,35,300,477.887,4.066,5,0.323,0.63,1.0,0.9492324035364266,0.8735436227811665,0.6643735864574053,0.5840243986018778,0.7677935028442191
EOS-4-06260,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(-c5cncnn5)nc4)n23)cn1,CWMRSGHGKLRYPK-UHFFFAOYSA-N,4,1,0.326,85,976,432.398,2.531,5,0.412,0.6,1.0,0.2942567336029059,0.27984716606127064,0.38187067370296757,0.24043931190459872,0.2991034713179357
EOS-4-06261,Cn1cncc1-c1cc(F)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,VCUOGBYMBLFLHN-UHFFFAOYSA-N,4,1,0.535,4,439,437.385,3.583,5,0.391,0.71,0.998,0.507581728462751,0.5282108834212871,0.8535741210335138,0.8249348913713933,0.6785754060722363
EOS-4-06262,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,NSVWBMRPEZSYQR-UHFFFAOYSA-N,4,1,0.468,58,262,449.837,2.847,5,0.285,0.65,1.0,0.8403639229662121,0.8681464601466657,0.20289048043314373,0.237595092865465,0.5372489891028717
EOS-4-06264,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)nc1,OIORCEHZRZNBMI-UHFFFAOYSA-N,4,1,0.612,37,141,447.861,4.057,5,0.387,0.71,1.0,0.9658865053800287,0.945068878075526,0.6090569529161812,0.634749160441368,0.788690374203276
EOS-4-06265,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(F)c(-c5cscn5)n4)n23)c1,QDDVMANFRZAKSD-UHFFFAOYSA-N,4,1,0.426,58,698,455.425,3.744,5,0.36,0.6,0.998,0.7140360496196285,0.6186690425604825,0.5838016585566445,0.6113271879925982,0.6319584846823384
EOS-4-06266,N#Cc1cc(-c2nnc3cncc(OCc4ccc(-c5ncc(F)cn5)nn4)n23)ccc1Cl,ZDUSXUHXYFJOSD-UHFFFAOYSA-N,4,1,0.494,73,82,459.832,3.281,5,0.388,0.66,0.999,0.804699814954424,0.9221523541909397,0.5933109451031457,0.6407203070385854,0.7402208553217737
EOS-4-06267,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1F,UJIRNWOASMKKCH-UHFFFAOYSA-N,4,1,0.551,90,636,458.856,3.3,4,0.407,0.82,1.0,0.6717154410252896,0.4606692481666781,0.5775135357412103,0.5551452950448907,0.5662608799945171
EOS-4-06268,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3ccc(C(F)F)nn3)n12,VBHMBLKFFFETAE-UHFFFAOYSA-N,4,1,0.461,27,52,455.425,4.361,5,0.351,0.58,1.0,0.5512045096292235,0.6859965046946748,0.7204612432321293,0.6636882324720719,0.6553376225070249
EOS-4-06269,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)ccc2F)o1,PNIRZCVVMCJPME-UHFFFAOYSA-N,4,1,0.576,35,352,434.406,4.049,5,0.372,0.72,1.0,0.9483157425810431,0.8594681653073812,0.7737475155918032,0.7065485573298609,0.8220199952025222
EOS-4-06270,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)c(Cl)c1,CHWLJTNAILZUHO-UHFFFAOYSA-N,4,1,0.381,0,21,435.89,4.795,5,0.464,0.88,1.0,0.17635014735110685,0.3299636762387773,0.09963333561784662,0.43015386196970734,0.25902525529435955
EOS-4-06271,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)cc2F)n1,GSNFZAJOUGHYJA-UHFFFAOYSA-N,4,1,0.472,36,208,467.827,3.252,5,0.384,0.6,1.0,0.689783085463642,0.8065759714892742,0.4790024672743472,0.5322202042354877,0.6268954321156878
EOS-4-06272,Fc1ccc(-c2cnc(-c3nnc4cncc(OCCc5ccncc5F)n34)nn2)nn1,HVALAYHCAMEGLP-UHFFFAOYSA-N,4,1,0.446,53,466,434.37,1.728,5,0.389,0.57,0.999,0.7017168117332603,0.5746778836268933,0.16346549242683847,0.219904393119046,0.41494114522650954
EOS-4-06273,CC(F)(c1ncc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)nn1)C1CCCCC1,GMHHTRBVYPTFQK-UHFFFAOYSA-N,4,1,0.302,78,878,487.465,4.141,5,0.387,0.53,0.999,0.21549242683846206,0.3449129600438627,0.10476492358303063,0.25817284627510106,0.23083578918511413
EOS-4-06274,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCc3cc(F)c(Cl)nn3)n12,MKJKIHXYHZGITQ-UHFFFAOYSA-N,4,1,0.483,34,820,457.853,4.215,5,0.39,0.67,1.0,0.7354276608868481,0.8102511822356246,0.722945651428963,0.7721112329518196,0.7601839318758139
EOS-4-06275,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc(F)c2F)n1,BEBRDCSDDIZTKE-UHFFFAOYSA-N,4,1,0.489,4,208,466.839,3.857,5,0.384,0.63,1.0,0.7792988828730039,0.8400126790487287,0.6449438009732027,0.6493214995545199,0.7283942156123637
EOS-4-06276,COc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cccc(F)n1,IPWSDONSUFPACE-UHFFFAOYSA-N,4,1,0.451,97,383,463.86,4.023,5,0.348,0.77,1.0,0.9120605167569049,0.802480981426907,0.618009389349599,0.5681755876910424,0.7251816188061133
EOS-4-06277,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)ncc1Cl,OJUIXTUYSCEAKW-UHFFFAOYSA-N,4,1,0.495,87,143,472.267,4.304,5,0.337,0.63,1.0,0.7851415255979713,0.7643667329175519,0.672580700431773,0.7336800082242478,0.7389422417928859
EOS-4-06278,O=C(COc1cccc(F)c1)Nc1ccc(-c2cncc3nnc(-c4ccc(CO)cn4)n23)cc1,UYICGSWEUKUSEH-UHFFFAOYSA-N,4,1,0.371,62,586,470.464,3.502,5,0.374,0.82,1.0,0.2885597285998218,0.2592437118771846,0.6591820300185045,0.5551538619697074,0.4405348331163046
EOS-4-06279,Brc1cncc(-c2nccnc2-c2nnc3cncc(Br)n23)n1,QYLJIEAJDAMEEP-UHFFFAOYSA-N,4,1,0.413,50,206,434.055,2.563,4,0.479,0.71,0.997,0.11057329860873141,0.12767288054280035,0.05010794325269002,0.12338085120964978,0.10293374340346789
EOS-4-06280,Fc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,UOGHGDZELDZODX-UHFFFAOYSA-N,4,1,0.458,73,263,484.282,3.501,5,0.264,0.62,1.0,0.8695685696662326,0.9086337468302378,0.307304160098691,0.40148893153313686,0.6217488520320745
EOS-4-06281,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3Cl)n12,VQEUNKJKNJPDSQ-UHFFFAOYSA-N,4,1,0.463,87,143,472.267,4.304,5,0.337,0.6,1.0,0.7623363717360017,0.7560482489205674,0.6265591803166335,0.7095298471660613,0.7136184120348159
EOS-4-06282,N=c1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)cc2F)n[nH]1,CRPKQPZBNQOVQC-UHFFFAOYSA-N,4,1,0.517,47,772,449.837,2.822,5,0.394,0.68,1.0,0.833013501473511,0.7150640805976287,0.5869028853402782,0.5775306695908436,0.6781277842505654
EOS-4-06283,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(CNC5CC5)c(F)c4)n23)c(F)c1F,ZSIJZOXOEKEOPX-UHFFFAOYSA-N,4,1,0.32,0,129,452.44,3.487,5,0.468,0.83,1.0,0.37900075388938387,0.3784182030018505,0.7281886094167638,0.764829346857652,0.5626092282914126
EOS-4-06284,Cc1nc(-c2cccc(-c3nnc4cncc(Oc5ncc(F)cc5Cl)n34)c2)cs1,QSQFHSNTTIRQDP-UHFFFAOYSA-N,4,1,0.391,13,666,438.875,5.203,5,0.383,0.79,1.0,0.6471969021999863,0.6909995887876088,0.6725892673565896,0.6782777054348571,0.6722658659447605
EOS-4-06285,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4F)n23)c1F,IFIMUXBCDYALNU-UHFFFAOYSA-N,4,1,0.478,58,28,439.357,3.275,5,0.371,0.61,1.0,0.7707405249811528,0.7150726475224454,0.6061698992529642,0.6081916935096977,0.675043691316565
EOS-4-06288,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cscn1,KFACJRXDCOBLCS-UHFFFAOYSA-N,4,1,0.625,35,201,418.457,4.07,5,0.414,0.75,1.0,0.9149647042697553,0.8562213008018642,0.6295233363032006,0.6172983345898156,0.7545019189911589
EOS-4-06289,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4Cl)n23)c1F,XPLYVDMANYBLQO-UHFFFAOYSA-N,4,1,0.553,37,325,455.812,3.789,5,0.356,0.64,1.0,0.8330220683983277,0.8257744500034268,0.7573332876430676,0.7697638955520526,0.7964734253992187
EOS-4-06290,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)nc(-c5cncnc5)c4)n23)c(F)c1F,FJYMIGDPAXZLPM-UHFFFAOYSA-N,4,1,0.301,82,26,462.395,3.087,5,0.409,0.63,0.669,0.24300938934959906,0.3593139606606812,0.7669625111370023,0.7010400246727435,0.5175814714550064
EOS-4-06291,N=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c(F)n2)c[nH]1,RLNQEYAWCFWMGC-UHFFFAOYSA-N,4,1,0.489,58,271,447.409,2.351,5,0.382,0.61,1.0,0.7295850181618806,0.6274758412720169,0.47211465972174627,0.4111181550270715,0.5600734185456788
EOS-4-06292,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccc(C)n5)cc4F)n23)cc1F,LDGONHMRCSZWNI-UHFFFAOYSA-N,4,1,0.327,96,648,473.443,3.987,5,0.411,0.81,1.0,0.5588633404153245,0.5057141388527174,0.6725978342814063,0.5386282639983552,0.5689508943869509
EOS-4-06293,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cc1F,AJVFFSYHGNJDKA-UHFFFAOYSA-N,4,1,0.387,0,21,430.418,3.844,5,0.493,0.9,1.0,0.24839798505928312,0.2643238982934686,0.20659139195394421,0.5218199575080529,0.3102833082036872
EOS-4-06294,Cc1ncccc1CCOc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,SLQNLAYNPUXPFM-UHFFFAOYSA-N,4,1,0.757,48,305,397.385,3.718,4,0.473,0.81,1.0,0.9883746830237817,0.97498457953533,0.8341700363237612,0.7440545541772325,0.8853959632650263
EOS-4-06295,COc1cc(-c2nnc3cncc(OCCc4ccc(C#N)c(F)c4)n23)ccc1-c1cnco1,GNLPPBUQMAYNNP-UHFFFAOYSA-N,4,1,0.593,91,103,456.437,4.087,5,0.36,0.71,1.0,0.9483243095058598,0.7940082927832225,0.8723699540812829,0.7672623535055856,0.8454912274689876
EOS-4-06296,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)c(Cl)c1,FXMHUWJFCGBMBA-UHFFFAOYSA-N,4,1,0.35,0,129,470.867,3.499,4,0.465,0.74,0.999,0.4395175107943253,0.45624014803646085,0.69978925364951,0.6144712494003153,0.5525045404701527
EOS-4-06297,Fc1ccc(CCCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nc1F,YSMWZSOGUPBGMJ-UHFFFAOYSA-N,4,1,0.483,11,275,450.474,4.6,5,0.266,0.61,1.0,0.8816907682818176,0.897333972997053,0.5998817764375299,0.6050304982523473,0.7459842539921868
EOS-4-06298,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(Cl)c(F)c4)n23)cn1)N1CCCCC1,CAGMYPZIYDVWBN-UHFFFAOYSA-N,4,1,0.466,78,345,450.905,4.196,5,0.466,0.88,1.0,0.19629394832430952,0.32997224316359397,0.010974230690151464,0.1637225001713385,0.17524073058734835
EOS-4-06299,N#Cc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCc4nnccc4F)n23)c1,MAIRFSLMHAVNQZ-UHFFFAOYSA-N,4,1,0.457,72,226,425.387,2.628,5,0.417,0.63,1.0,0.6747652662600233,0.7058717702693441,0.57453224590501,0.5744979782057432,0.6324168151600301
EOS-4-06300,CCOc1cncc2nnc(-c3ccc(-c4cncnc4S(=O)(=O)c4ccc(F)c(F)c4)cc3)n12,JKYVEFLLLQCWSM-UHFFFAOYSA-N,4,1,0.539,91,883,494.483,3.758,5,0.259,0.68,0.887,0.7707490919059694,0.8295952984716606,0.590029812898362,0.6407288739634021,0.7077757693098485
EOS-4-06301,FC(F)n1nccc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cn1,BOAXDXLKFLBHND-UHFFFAOYSA-N,4,1,0.522,65,981,434.41,3.461,5,0.387,0.64,1.0,0.5986652731135631,0.5559591529024741,0.5678072099239257,0.4740507847303132,0.549120605167569
EOS-4-06302,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c1F,PXGWBSAWYIHTIU-UHFFFAOYSA-N,4,1,0.477,75,183,413.416,3.67,5,0.434,0.74,1.0,0.704843739291344,0.57468645055171,0.6591905969433213,0.57450654513056,0.6283068329792338
EOS-4-06303,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nccc(F)c5F)ccn4)n23)c(F)c1F,NSHHCDRWEJTEQB-UHFFFAOYSA-N,4,1,0.308,45,26,479.397,3.831,5,0.394,0.51,0.757,0.27242820917003635,0.37370639435268316,0.8801915564389007,0.8552361044479474,0.5953905661023919
EOS-4-06304,Clc1cnc(-c2cc(Cc3cncc4nnc(-c5cnc(Cl)nc5)n34)ccn2)nc1,ZCWOOBBTDCUZSV-UHFFFAOYSA-N,4,1,0.316,85,260,436.266,3.331,5,0.395,0.68,1.0,0.315091494757042,0.3005362894935234,0.32575731615379344,0.44268727297649235,0.34601809334521283
EOS-4-06305,FC(F)c1ccc(-c2nc(-c3nnc4cncc(Br)n34)cs2)cn1,INTPOSQOAHHQMR-UHFFFAOYSA-N,4,1,0.5,68,861,409.219,4.01,4,0.512,0.7,1.0,0.08382735933109452,0.1773439106298403,0.6090655198409979,0.6173069015146323,0.37188592282914124
EOS-4-06306,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,CRAQFTHIIASAFQ-UHFFFAOYSA-N,4,1,0.575,11,201,418.457,4.07,5,0.387,0.72,1.0,0.9307278459324241,0.8973425399218696,0.5933195120279624,0.5681841546158591,0.7473935131245288
EOS-4-06307,FC(F)Cc1cnc(-c2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cn1,VWYINBHMNITYGO-UHFFFAOYSA-N,4,1,0.333,86,489,417.383,2.908,5,0.43,0.69,1.0,0.25906380645603455,0.3210026728805428,0.4328267425125077,0.42378863683092316,0.359170464670002
EOS-4-06308,Cc1ccc(F)cc1COc1cncc2nnc(-c3cc(F)cc(-c4nncs4)c3)n12,GHCKCIMGMCCKTO-UHFFFAOYSA-N,4,1,0.529,43,909,436.447,4.475,5,0.404,0.69,1.0,0.7736190117195532,0.7381690768281818,0.8124785826879584,0.7955417723254061,0.7799521108902749
EOS-4-06309,Cc1cnc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)cn1,OWPNCWPLZCRJKI-UHFFFAOYSA-N,4,1,0.488,90,244,402.792,3.443,4,0.476,0.72,1.0,0.7822287711603043,0.7814748817764375,0.7979233774244398,0.8062846960455075,0.7919779316016722
EOS-4-06310,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4C)n23)ccc1-c1cscn1,ZFDWOKCVZCEEFF-UHFFFAOYSA-N,4,1,0.489,1,383,447.495,4.95,5,0.367,0.76,1.0,0.9190596943321225,0.8180128161195257,0.8103625522582414,0.6842574189568912,0.8079231204166952
EOS-4-06311,CC#Cc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5cncnc5)c4)n23)cn1,XLFPBHYRUHHOLN-UHFFFAOYSA-N,4,1,0.457,7,815,438.426,3.128,5,0.386,0.69,1.0,0.6958741690082928,0.7643752998423686,0.6420053457610856,0.5484459598382565,0.6626751936125009
EOS-4-06312,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1ccnc(F)c1,FWWDQCRUJPNHHL-UHFFFAOYSA-N,4,1,0.511,35,361,443.442,3.413,5,0.353,0.67,1.0,0.9204218353779727,0.7772428209170036,0.6449523678980194,0.5322287711603043,0.718711448838325
EOS-4-06313,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nn2)nc1,SEXQFBCDLBZCGS-UHFFFAOYSA-N,4,1,0.584,54,411,432.394,3.204,5,0.417,0.65,0.989,0.7793074497978206,0.6713727640326228,0.5101518059077513,0.511942293194435,0.6181935782331573
EOS-4-06314,CCc1nc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1ncc(Cl)cn1,RUBCJAMRIXYMMH-UHFFFAOYSA-N,4,1,0.426,46,665,479.878,4.716,5,0.348,0.65,0.936,0.7590552395312179,0.7560568158453841,0.6420139126859022,0.6929442807209923,0.7125175621958741
EOS-4-06315,Fc1cncc(COc2cncc3nnc(-c4ccc(F)c(-c5nnco5)c4)n23)c1,RBACPZWKLDGMHH-UHFFFAOYSA-N,4,1,0.542,16,772,407.34,3.094,5,0.438,0.74,1.0,0.8836011925159345,0.7009543554245768,0.7098896580083613,0.6955657597148928,0.7475027414159414
EOS-4-06316,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)n1,HUAPUIJEMFYHLK-UHFFFAOYSA-N,4,1,0.588,35,509,427.443,3.712,5,0.408,0.75,1.0,0.9474247824001096,0.9086423137550544,0.5138441505037352,0.4553748886299774,0.7063215338222193
EOS-4-06319,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)o1,HNPXTKGRLCLKOT-UHFFFAOYSA-N,4,1,0.553,35,161,434.406,4.049,5,0.398,0.73,1.0,0.9281663354122405,0.8065845384140908,0.7808494962648208,0.7202213693372627,0.8089554348571036
EOS-4-06320,Fc1cnc(-c2cnc(-c3nnc4cncc(-c5cnc(-c6cncnn6)nc5)n34)cn2)c(F)c1,UTJNCRARMPOYEA-UHFFFAOYSA-N,4,1,0.256,86,377,468.391,2.23,6,0.375,0.57,1.0,0.312564251936125,0.285175793297238,0.21346206565691178,0.28189466109245426,0.27327419299568223
EOS-4-06321,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4F)n23)cc1,NGNZMYXXOKINBW-UHFFFAOYSA-N,4,1,0.684,48,378,425.851,3.565,4,0.51,0.83,1.0,0.9307364128572407,0.6860050716194914,0.7761034199163868,0.7149098759509287,0.7769386950860119
EOS-4-06322,Cc1cc(C(=O)N2CCCC2)ccc1-c1cncc2nnc(-c3ccc(F)c(Cl)c3)n12,MAKZCJCXJBEOTM-UHFFFAOYSA-N,4,1,0.427,0,21,435.89,4.795,5,0.464,0.92,1.0,0.23201802480981426,0.2851843602220547,0.12152182852443287,0.43337502570077446,0.26802480981426907
EOS-4-06323,Fc1ncc(F)c(COc2cncc3nnc(-c4cccc(-c5cocn5)c4)n23)n1,HSEMEUIQKPEXJK-UHFFFAOYSA-N,4,1,0.494,4,666,407.34,3.094,5,0.41,0.65,1.0,0.7017253786580769,0.5559677198272908,0.5478377081762731,0.5154804331437187,0.5802528099513399
EOS-4-06324,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c(F)cn1,BLAKMPYVUQGEKT-UHFFFAOYSA-N,4,1,0.488,24,912,423.408,3.562,5,0.399,0.53,1.0,0.7475241587279831,0.6186776094852992,0.6755962579672401,0.6407374408882187,0.6706338667671852
EOS-4-06325,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)ccc1C#N,KJQMOFMIEUYNSV-UHFFFAOYSA-N,4,1,0.506,43,332,459.872,4.435,5,0.386,0.73,1.0,0.8353951065725447,0.7814834487012542,0.9265214858474402,0.9207045438969228,0.8660261462545404
EOS-4-06326,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4cc(Cl)ncn4)cn3)n12,BRZCYORTCONRJG-UHFFFAOYSA-N,4,1,0.404,18,814,483.294,4.106,5,0.333,0.65,0.366,0.7504797477897334,0.7858268795833048,0.6354859159756014,0.7095384140908779,0.7203327393598794
EOS-4-06327,Cc1ncc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccc2F)cn1,HERALPAZBIIOLL-UHFFFAOYSA-N,4,1,0.539,37,494,461.888,4.366,5,0.371,0.72,1.0,0.9449575080529093,0.9574395175107944,0.712528270851895,0.7065571242546775,0.830370605167569
EOS-4-06328,N#Cc1ccnc(CCOc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)c1,UXOMEFOPNZUIJC-UHFFFAOYSA-N,4,1,0.539,90,636,406.833,2.825,4,0.524,0.76,0.998,0.9105184702899047,0.9338633404153245,0.8040230278939072,0.7999109039819067,0.8620789356452608
EOS-4-06329,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)cn1,VSJSCHSYGFMCFH-UHFFFAOYSA-N,4,1,0.494,59,445,437.385,3.583,5,0.391,0.68,1.0,0.7906500582550887,0.7058803371941608,0.8897179768350353,0.855244671372764,0.8103732609142622
EOS-4-06330,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)c(F)c1,WKWFFDMFSMYGGV-UHFFFAOYSA-N,4,1,0.53,73,526,425.33,3.233,5,0.423,0.68,1.0,0.8099256390925913,0.7196645192241793,0.7410304297169488,0.7415958467548489,0.7530541086971421
EOS-4-06331,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(F)c4)n23)ccc1F,CADBJEGZUOHWJD-UHFFFAOYSA-N,4,1,0.511,4,702,432.35,2.965,5,0.412,0.7,1.0,0.8047083818792407,0.7643838667671853,0.6971934754300596,0.6521657185936536,0.7296128606675348
EOS-4-06332,Clc1ccc(-c2nnc3cncc(OCc4cnc(CC5CCC5)nc4)n23)cc1,VGFVCJZYLAXKQU-UHFFFAOYSA-N,4,1,0.64,63,636,406.877,4.156,5,0.478,0.83,1.0,0.8584315674045645,0.9184600095949558,0.08533513809882805,0.347354533616613,0.5523953121787403
EOS-4-06333,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3cncc(F)c3)n12,NCZUPJSPJGZIKR-UHFFFAOYSA-N,4,1,0.466,97,214,429.44,3.9,5,0.417,0.67,1.0,0.817618737577959,0.747267150983483,0.7335429374271811,0.7010485915975602,0.7498693543965458
EOS-4-06334,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,QVKHMOBSVWSCLV-UHFFFAOYSA-N,4,1,0.62,35,0,418.457,4.07,5,0.414,0.74,1.0,0.7906586251799054,0.8532828455897471,0.6477280515386197,0.6258823932561168,0.7293879788910972
EOS-4-06335,CCOc1cccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)nn2)n1,XPGUTZALTXBLAE-UHFFFAOYSA-N,4,1,0.415,19,691,461.432,3.899,5,0.36,0.75,0.082,0.7707576588307861,0.6617264066890549,0.6150280995133987,0.5584778287985744,0.6514974984579536
EOS-4-06336,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)c1Cl,LILPMGGQCBPIET-UHFFFAOYSA-N,4,1,0.463,87,143,472.267,4.304,5,0.337,0.54,1.0,0.7651034884517853,0.7560653827702009,0.6239634020971832,0.7149184428757454,0.7150126790487287
EOS-4-06337,FC(F)c1cnc(COc2cncc3nnc(-c4ccnc(-c5ccncn5)c4)n23)cn1,IIPCAYDTRVOABB-UHFFFAOYSA-N,4,1,0.472,7,99,433.382,2.95,5,0.398,0.62,1.0,0.5512130765540402,0.5010794325269001,0.5409156329244055,0.4208330477691728,0.5035102974436296
EOS-4-06338,Fc1cc(F)c(Oc2cncc3nnc(-c4cc(-c5cccnn5)ncn4)n23)cn1,XFPWUAKBXOXVFZ-UHFFFAOYSA-N,4,1,0.316,46,971,405.328,2.504,5,0.416,0.55,0.773,0.6353574121033514,0.5327342197244876,0.4616544445205949,0.4585874854362278,0.5220833904461654
EOS-4-06339,Cc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ncc(F)cn1,LHVTWXVSAILWOE-UHFFFAOYSA-N,4,1,0.333,85,920,432.394,3.204,5,0.39,0.67,1.0,0.635365979028168,0.5559762867521074,0.41810019875265575,0.392382290453019,0.5004561887464876
EOS-4-06340,CC(C)(c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1)C1CCOCC1,VZQOKWYKUCJAIS-UHFFFAOYSA-N,4,1,0.392,78,364,465.508,4.209,5,0.421,0.55,0.736,0.237620793639915,0.2390600370091152,0.18914056610239188,0.25528579261188405,0.23027679734082657
EOS-4-06341,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)ccn1,VUNQCANEPMXSIO-UHFFFAOYSA-N,4,1,0.539,58,56,413.416,3.404,5,0.394,0.75,1.0,0.8836097594407512,0.8973511068466863,0.527542663285587,0.4921526968679323,0.7001640566102392
EOS-4-06342,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1F,ISDNADOCLSPFHQ-UHFFFAOYSA-N,4,1,0.517,16,79,438.373,2.978,5,0.389,0.61,0.995,0.6656243574806388,0.6520200808717703,0.762173600164485,0.74935748063875,0.707293879788911
EOS-4-06343,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cc2F)ncn1,BMENEZWXDHPNAY-UHFFFAOYSA-N,4,1,0.494,4,354,448.849,3.718,5,0.375,0.64,1.0,0.815014392433692,0.8296038653964772,0.6532879857446371,0.6258909601809335,0.730949300938935
EOS-4-06344,Cc1cnc(-c2nnc3cncc(Oc4ncc(-c5ccc(C#N)cn5)cc4F)n23)cn1,GZKJDPNZLUABLU-UHFFFAOYSA-N,4,1,0.337,7,85,425.387,3.15,5,0.426,0.76,1.0,0.6837519703927079,0.6186861764101158,0.4861901171955315,0.430162428894524,0.5546976732232198
EOS-4-06345,Cc1nc(-c2ccc(F)nn2)ccc1-c1nnc2cncc(OCc3cccc(F)c3)n12,NEDJZZSLKLLXOD-UHFFFAOYSA-N,4,1,0.548,43,268,431.406,3.809,5,0.418,0.69,1.0,0.8354036734973613,0.7772513878418204,0.6388355835789186,0.6318963744774175,0.7208467548488795
EOS-4-06346,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncccc5F)cc(F)n4)n23)cc1F,CHCSTEZQEQNOOQ-UHFFFAOYSA-N,4,1,0.344,96,802,461.407,3.692,5,0.41,0.77,1.0,0.3274107326434103,0.3689688849290659,0.7737560825166199,0.7467874031937496,0.5542307758207115
EOS-4-06347,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)ccc1F,NZFXIVVUNCCKHB-UHFFFAOYSA-N,4,1,0.541,1,702,429.44,3.9,5,0.417,0.65,1.0,0.8354122404221781,0.8219793023096429,0.6809934206017408,0.6287523130697005,0.7417843191008155
EOS-4-06348,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nccn1CC(F)F,KZGNLUGFIISIKR-UHFFFAOYSA-N,4,1,0.468,27,208,486.845,4.081,5,0.342,0.59,1.0,0.6868189294770749,0.7730621616064698,0.7716400520869029,0.7721197998766363,0.750910235761771
EOS-4-06349,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccon4)c(F)c3)n12,FKCLRLMVKLRGDU-UHFFFAOYSA-N,4,1,0.571,35,161,420.379,3.741,5,0.413,0.7,1.0,0.8403724898910288,0.7286597902816805,0.8002964155986567,0.7815519840997875,0.7877201699677885
EOS-4-06350,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)cc1Cl,MEHWAAUAHHIRQQ-UHFFFAOYSA-N,4,1,0.533,90,385,444.829,3.099,4,0.459,0.84,1.0,0.7793160167226373,0.6274844081968337,0.6781149338633404,0.6377904187512851,0.6806764443835241
EOS-4-06351,COc1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1cscn1,ICUSSEWJAGGXGD-UHFFFAOYSA-N,4,1,0.467,97,383,452.446,4.176,5,0.357,0.67,1.0,0.914973271194572,0.7516105818655335,0.7737646494414365,0.6693509697758893,0.7774248680693578
EOS-4-06352,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCCc4ccnnc4Cl)n23)cc1,GEZJGNXUQIBHLS-UHFFFAOYSA-N,4,1,0.584,66,12,459.844,2.851,4,0.431,0.78,1.0,0.7233996984442465,0.5374802960729217,0.5838102254814612,0.5119508601192516,0.5891602700294702
EOS-4-06353,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)c2)n1,IXPLHPTXICJWCY-UHFFFAOYSA-N,4,1,0.576,35,509,427.443,3.712,5,0.408,0.73,1.0,0.9440494140223425,0.9066547871975875,0.510160372832568,0.4522993626207936,0.7032909841683228
EOS-4-06355,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccncc4-c4ccc(F)c(F)c4)n23)c(F)c1,CCZKCCCNPXHXLD-UHFFFAOYSA-N,4,1,0.375,96,341,486.457,4.83,6,0.385,0.75,0.984,0.2885682955246385,0.3737149612774998,0.8358234528133781,0.8858628606675348,0.5959923925707629
EOS-4-06356,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2C#N)o1,IZFUAQMZLAWTFD-UHFFFAOYSA-N,4,1,0.707,91,660,456.893,4.901,5,0.358,0.72,1.0,0.9420190528407922,0.9167380577068056,0.8307775340963608,0.8083750257007745,0.8744774175861834
EOS-4-06357,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4Cl)n23)n1,CTDQUECYKLWCIJ-UHFFFAOYSA-N,4,1,0.489,11,0,487.347,5.377,5,0.3,0.74,1.0,0.8560156946062641,0.9167466246316223,0.7761119868412035,0.8536083887327804,0.8506206737029677
EOS-4-06358,Fc1ccc(COc2cncc3nnc(-c4cc(-c5cccnc5)no4)n23)c(Cl)n1,SSQHVDBPFWMCPS-UHFFFAOYSA-N,4,1,0.465,55,879,423.795,3.608,5,0.395,0.7,1.0,0.5486858337331232,0.5145894729627852,0.5998903433623467,0.6319049414022343,0.5737676478651224
EOS-4-06359,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1ncon1,NKGYKMHQMPPDMY-UHFFFAOYSA-N,4,1,0.578,73,265,455.812,3.789,5,0.381,0.63,1.0,0.9204304023027894,0.8681550270714824,0.7716486190117195,0.7955503392502228,0.8389460969090536
EOS-4-06360,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cncnc1,CLYKCTOYQNYMSX-UHFFFAOYSA-N,4,1,0.511,35,215,443.442,3.413,5,0.353,0.64,1.0,0.9149818381193887,0.8065931053389076,0.6388441505037352,0.5119594270440683,0.7180946302515249
EOS-4-06361,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cc(F)ccc5F)nn4)n23)c(F)c1,NPUKJZZHXXDJOV-UHFFFAOYSA-N,4,1,0.355,45,730,477.406,3.818,5,0.41,0.74,1.0,0.609887944623398,0.6617349736138716,0.7979319443492564,0.7416044136796656,0.7027898190665478
EOS-4-06362,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)c(F)c2)cs1,FORZPPNKQCJVLZ-UHFFFAOYSA-N,4,1,0.541,97,992,436.447,4.475,5,0.378,0.75,1.0,0.8047169488040573,0.7516191487903502,0.766971078061819,0.7123397985059283,0.7589117435405388
EOS-4-06363,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1nc[nH]n1,JCESPVCKROQYFR-UHFFFAOYSA-N,4,1,0.663,91,313,449.421,3.485,5,0.406,0.61,1.0,0.9042560482489206,0.7381776437529984,0.7669796449866356,0.6693595367007059,0.7696932184223151
EOS-4-06364,Fc1cc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12,CRCBFDYOGGLXBD-UHFFFAOYSA-N,4,1,0.605,84,56,452.902,4.724,5,0.371,0.72,1.0,0.8176273045027757,0.935448221506408,0.6918477143444589,0.7254900280995134,0.7926033171132889
EOS-4-06365,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)ccc1F,WOKDYXYANLRCBE-UHFFFAOYSA-N,4,1,0.511,4,702,448.805,3.479,5,0.396,0.68,1.0,0.7878658076896717,0.8469004866013295,0.6972020423548763,0.6955743266397094,0.7568856658213967
EOS-4-06366,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)nc1,MTAQRXHDLFGKSC-UHFFFAOYSA-N,4,1,0.435,51,196,423.408,3.562,5,0.399,0.72,1.0,0.6656329244054554,0.6910081557124255,0.447467617024193,0.4616887122198616,0.5664493523404839
EOS-4-06367,N#Cc1cc(-c2cncs2)cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)c1,UJEIHMCWOSBZQG-UHFFFAOYSA-N,4,1,0.483,2,526,448.418,3.434,5,0.376,0.63,1.0,0.6927044068261257,0.6417312041669523,0.6918562812692756,0.6636967993968885,0.6724971729148105
EOS-4-06368,CC(F)(F)c1ncc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)n1,AQDQNLJWJVLYKX-UHFFFAOYSA-N,4,1,0.312,63,188,457.391,3.53,5,0.364,0.81,1.0,0.2994397231169899,0.39716263450071965,0.5511616750051401,0.532237338085121,0.44500034267699273
EOS-4-06369,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,YRIQVUAQQSMWNG-UHFFFAOYSA-N,4,1,0.435,51,196,439.863,4.076,5,0.381,0.72,1.0,0.67477383318484,0.7381862106778151,0.4474761839490097,0.5084641217188678,0.5922250873826331
EOS-4-06370,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)cc1F,GFYOZLZPCATRMD-UHFFFAOYSA-N,4,1,0.506,66,12,429.362,2.597,4,0.502,0.73,1.0,0.5673788636830923,0.5282194503461037,0.664382153382222,0.5052772256870673,0.5663144232746213
EOS-4-06371,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)nc4Cl)n23)cnc1F,DKMOWBMNRIOQAD-UHFFFAOYSA-N,4,1,0.5,58,271,456.8,3.184,5,0.355,0.58,0.999,0.7963299294085395,0.777259954766637,0.517536495099719,0.555162428894524,0.6615722020423549
EOS-4-06372,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Br)cn4)nc3)n12,PMGAQTIDZUDDAG-UHFFFAOYSA-N,4,1,0.533,65,263,493.3,3.561,5,0.331,0.72,1.0,0.9010091837434034,0.8926050304982523,0.3704852306216161,0.36690425604824894,0.6327509252278802
EOS-4-06373,COc1cc(-c2nnc3cncc(COc4ccncc4F)n23)ccc1-c1ncccn1,RTYJPIWYBZBKQX-UHFFFAOYSA-N,4,1,0.394,14,767,429.415,3.37,5,0.405,0.75,1.0,0.7444486327187992,0.5514700842985402,0.577522102666027,0.43648481940922484,0.5774814097731479
EOS-4-06374,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)n3)n12,FCEKCANGLNPRCO-UHFFFAOYSA-N,4,1,0.462,58,28,448.849,3.452,5,0.364,0.58,0.998,0.812589952710575,0.8562298677266809,0.33671441299431154,0.40428174902337055,0.6024539956137345
EOS-4-06376,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc(-c2ccsc2)n1,YJDGJTXABGBLFZ-UHFFFAOYSA-N,4,1,0.556,35,578,452.902,4.724,5,0.347,0.62,1.0,0.8426170241929957,0.8400212459735453,0.7307329860873141,0.7544291001302172,0.791950089096018
EOS-4-06377,Clc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cscn1,NOQCSDZOTYFBCE-UHFFFAOYSA-N,4,1,0.633,35,393,434.912,4.585,5,0.389,0.75,1.0,0.807484065519841,0.8765677472414503,0.662111918305805,0.684265985881708,0.757607429237201
EOS-4-06378,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)c(F)c1,FKLJNIDKQFICLH-UHFFFAOYSA-N,4,1,0.43,73,526,454.828,3.492,5,0.375,0.68,1.0,0.7354362278116647,0.7286683572064971,0.6781235007881571,0.6782862723596738,0.7051285895414982
EOS-4-06380,Cc1c(F)ccc(Oc2cncc3nnc(-c4ccc(F)c(-c5cncn5C)n4)n23)c1F,YVAHPKTYCAGRSX-UHFFFAOYSA-N,4,1,0.369,13,971,437.385,4.105,5,0.421,0.62,0.953,0.5486944006579398,0.5282280172709204,0.812487149612775,0.7697724624768693,0.6647955075046261
EOS-4-06381,Cc1cnc(-c2ncncc2-c2nnc3cncc(OCCc4ccncc4F)n23)cc1F,HERWEMGJXFYJPK-UHFFFAOYSA-N,4,1,0.489,65,904,446.421,3.246,5,0.392,0.67,1.0,0.7017339455828936,0.6323589884175177,0.5546569803303406,0.5322459050099376,0.6052489548351724
EOS-4-06382,Clc1cc(CCOc2cncc3nnc(-c4cccc(-c5ccsc5)c4)n23)ccn1,ITXRIQBIHSVWMC-UHFFFAOYSA-N,4,1,0.59,35,352,433.924,5.19,5,0.345,0.76,1.0,0.7414502090329655,0.8219878692344595,0.7669882119114523,0.797709204304023,0.7820338736207251
EOS-4-06383,Fc1cnc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3)n12,GKTGNNOWAPJVOB-UHFFFAOYSA-N,4,1,0.479,65,262,449.837,2.847,5,0.36,0.63,1.0,0.8519207045438969,0.8950894386950861,0.19944657665684326,0.2404478788294154,0.5467261496813104
EOS-4-06384,N#Cc1nnc(-c2ccc(-c3nnc4cncc(COc5cccnc5F)n34)cc2F)s1,OSVWGGLZWBTMQG-UHFFFAOYSA-N,4,1,0.402,14,487,448.418,3.434,5,0.376,0.71,1.0,0.6014495236789802,0.6860136385443081,0.5443766705503392,0.5422606401206223,0.5935251182235625
EOS-4-06385,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c(F)c2)cs1,OQKJRZHDYUNIEG-UHFFFAOYSA-N,4,1,0.654,91,732,449.486,5.123,5,0.36,0.85,1.0,0.8631262422040984,0.8995528065245699,0.814294770749092,0.7977177712288397,0.8436728976766499
EOS-4-06386,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(Cl)c4)n23)c(F)c1F,BVKASIOGPZNCHT-UHFFFAOYSA-N,4,1,0.356,0,21,482.878,3.725,5,0.477,0.85,0.998,0.19082825029127545,0.26962682475498595,0.1047734905078473,0.36019635391679805,0.2313562298677267
EOS-4-06387,Fc1nc(-c2cccs2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,GKMPMTFDZXQURI-UHFFFAOYSA-N,4,1,0.524,58,28,452.902,4.724,5,0.347,0.69,1.0,0.885468782125968,0.9202676307312727,0.6505465698033034,0.7010571585223768,0.7893350352957302
EOS-4-06388,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)c(F)c2)cs1,PVFGZLOMFWMINS-UHFFFAOYSA-N,4,1,0.489,88,141,468.464,4.657,5,0.361,0.73,1.0,0.8403810568158454,0.868163593996299,0.7892622164347886,0.7621821670893016,0.8149972585840587
EOS-4-06390,Clc1cc(-c2ccc(COc3cncc4nnc(-c5ccncc5)n34)cn2)ncn1,QUHUOMXJZWWSNG-UHFFFAOYSA-N,4,1,0.506,24,486,416.832,3.271,5,0.402,0.73,1.0,0.6239976697964499,0.5653142348022754,0.5031269275580837,0.4861472825714482,0.5446465286820643
EOS-4-06391,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ncccc1F,BGXGGRHABQPGON-UHFFFAOYSA-N,4,1,0.353,14,920,445.433,4.063,5,0.364,0.59,0.999,0.509980467411418,0.585283736549928,0.5101689397573846,0.5018761565348503,0.5268273250633952
EOS-4-06392,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cnn2)cn1,NBLCAWARNCTUSR-UHFFFAOYSA-N,4,1,0.433,55,283,435.81,2.805,5,0.384,0.58,0.943,0.7963384963333562,0.8711020492084162,0.46166301144541155,0.4952710575011994,0.6560936536220958
EOS-4-06394,O=C(O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)nn1,HCUACDNLSDGFNC-UHFFFAOYSA-N,4,1,0.631,90,948,414.784,2.694,4,0.512,0.86,1.0,0.6044650812144473,0.28519292714687133,0.42898876019464055,0.4394489753957919,0.43952393598793776
EOS-4-06395,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(F)c(-c5cscn5)n4)n23)c1,HEZPUSQWUSUMOT-UHFFFAOYSA-N,4,1,0.444,24,267,441.398,3.701,5,0.384,0.64,0.994,0.5512216434788568,0.5609022685216914,0.6119782742786649,0.6407460078130355,0.5912120485230622
EOS-4-06396,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)c(F)c5F)n34)cc2F)s1,YFDPTJLSDJDKEI-UHFFFAOYSA-N,4,1,0.483,59,607,473.415,4.149,5,0.28,0.66,1.0,0.8560242615310808,0.8180213830443424,0.810371119183058,0.7861866904256049,0.8176508635460216
EOS-4-06397,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4)n23)c(F)c1,ZATOLPULDUJAOD-UHFFFAOYSA-N,4,1,0.349,62,3,441.426,3.539,5,0.445,0.85,1.0,0.5099890343362347,0.5057227057775341,0.5608080323487081,0.42084161469398945,0.4993403467891166
EOS-4-06398,Cc1nc(-c2nnc3cncc(OCc4cnc(C#N)c(F)c4)n23)ccc1-c1cncnc1,LNRWIWRKVOTVQX-UHFFFAOYSA-N,4,1,0.432,46,62,439.414,2.937,5,0.406,0.63,1.0,0.7475327256527997,0.6470169967788363,0.5546655472551573,0.46169727914467823,0.6027281372078678
EOS-4-06399,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)c(F)c1,QSJGSLVESOEZCO-UHFFFAOYSA-N,4,1,0.494,16,79,438.373,2.978,5,0.389,0.67,1.0,0.5930625042834624,0.6186947433349325,0.7508738263313001,0.7202299362620793,0.6707152525529435
EOS-4-06400,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nn3)n12,NMOAHTIOHSNYKD-UHFFFAOYSA-N,4,1,0.494,54,263,449.837,2.847,5,0.385,0.58,0.995,0.7623449386608183,0.7730707285312864,0.2782879857446371,0.3569494894112809,0.5426632855870057
EOS-4-06401,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cncnc1,FZZSINRGDCXASU-UHFFFAOYSA-N,4,1,0.521,35,215,443.442,3.413,5,0.377,0.64,1.0,0.9105270372147214,0.7940168597080393,0.6643907203070386,0.5517613597423069,0.7301739942430265
EOS-4-06402,Fc1cc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)ccc1-c1cnsc1,HGKQHKCGSGYBRQ-UHFFFAOYSA-N,4,1,0.556,4,716,439.863,4.076,5,0.381,0.66,1.0,0.6500325543143033,0.7286769241313138,0.6699592214378727,0.689757384689192,0.6846065211431704
EOS-4-06403,Oc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccsn1,SNRGTVKMVXWTQW-UHFFFAOYSA-N,4,1,0.517,11,201,434.456,3.776,5,0.406,0.58,1.0,0.8150229593585087,0.7560739496950175,0.5546741141799739,0.5084726886436844,0.6585609279692961
EOS-4-06404,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,YBAJUOWUOIZBPQ-UHFFFAOYSA-N,4,1,0.453,73,196,439.863,4.076,5,0.407,0.71,1.0,0.7736275786443698,0.8180299499691591,0.5478462751010897,0.605039065177164,0.6861357172229456
EOS-4-06405,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)c1,FPVZRPICHHNHPE-UHFFFAOYSA-N,4,1,0.542,73,71,425.33,3.233,5,0.396,0.73,1.0,0.7534182030018505,0.7286854910561305,0.7553800287848674,0.7467959701185662,0.7460699232403536
EOS-4-06406,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)c4F)n23)ccc1-c1ccsn1,DXRBVUQUZNLHOY-UHFFFAOYSA-N,4,1,0.58,91,777,481.94,5.337,5,0.312,0.67,1.0,0.9339832773627579,0.8871307655404016,0.8564526077719142,0.8211568775272429,0.8746808820505791
EOS-4-06407,Cc1nc(-c2ccc(F)cc2)c(-c2nnc3cncc(-c4ccc(F)c(-c5cccnc5)n4)n23)o1,LTMAGMNIZUSMJV-UHFFFAOYSA-N,4,1,0.33,32,572,467.439,5.157,6,0.354,0.72,0.877,0.24840655198409978,0.44292714687135903,0.6265677472414503,0.6842745528065246,0.5005439997258585
EOS-4-06408,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5ncc(F)nn5)no4)n23)ccc1Cl,RQPOZUDQIDZVLX-UHFFFAOYSA-N,4,1,0.5,16,772,449.793,2.874,5,0.393,0.68,0.993,0.8891868274964019,0.8817935713796176,0.472123226646563,0.542269207045439,0.6963432081420055
EOS-4-06409,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NCCCO)cc4F)n23)cn1,GRVLSIUWYSJXIC-UHFFFAOYSA-N,4,1,0.389,66,364,471.443,2.535,4,0.379,0.67,1.0,0.2774998286615037,0.34492152696867934,0.45115139469536014,0.28501302172572135,0.3396464430128161
EOS-4-06410,Fc1ncccc1OCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,JNTWMXLZFPBFEL-UHFFFAOYSA-N,4,1,0.385,24,28,423.408,3.562,5,0.399,0.64,1.0,0.514957850729902,0.580023644712494,0.5206548557329861,0.49216126379274894,0.5269494037420327
EOS-4-06411,NC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnc(F)cn5)n4)n23)cc1F,JQVJSMGFFHTOLT-UHFFFAOYSA-N,4,1,0.469,59,788,478.394,2.738,5,0.394,0.68,0.988,0.6440614077170859,0.4871239120005483,0.5965235419093962,0.5422777739702557,0.5674966588993214
EOS-4-06412,Cc1cnnc(Oc2ccc(-c3cncc4nnc(-c5ccnc(C(F)F)c5)n34)nc2)n1,XGYYHSLHMFACOB-UHFFFAOYSA-N,4,1,0.298,50,243,433.382,3.472,5,0.411,0.69,1.0,0.4417534781714756,0.40218285244328694,0.4927438146802824,0.3765420464670002,0.42830554794051123
EOS-4-06413,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1cccnn1,SUFRFQFCUAYXAV-UHFFFAOYSA-N,4,1,0.495,72,925,461.432,3.552,5,0.339,0.56,1.0,0.9162754437667056,0.8102597491604414,0.7229542183537797,0.6113357549174149,0.7652062915495853
EOS-4-06414,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1ccsc1,YMDFKMIRICUREC-UHFFFAOYSA-N,4,1,0.523,97,83,451.458,4.781,5,0.37,0.55,1.0,0.8074926324446576,0.7688558015214858,0.8815365636351176,0.8191350832705092,0.8192550202179426
EOS-4-06415,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)cc1F,GYRAMDMFRJGKQK-UHFFFAOYSA-N,4,1,0.418,53,62,426.375,2.023,5,0.41,0.63,0.999,0.7204526763073127,0.6089541498183811,0.34807415530121305,0.32179082996367625,0.49981795284764574
EOS-4-06417,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cn4)n23)c(F)c1F,QVUDBPBVHDQHJP-UHFFFAOYSA-N,4,1,0.333,96,26,461.407,3.692,5,0.438,0.67,1.0,0.30469981495442394,0.3971712014255363,0.8040315948187239,0.7621907340141183,0.5670233363032006
EOS-4-06418,Cn1cnc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c1F,MVLFXHRNIPWHDB-UHFFFAOYSA-N,4,1,0.528,37,161,451.412,3.626,5,0.392,0.64,1.0,0.7109348228359947,0.6372078678637516,0.8103796861078747,0.7815605510246042,0.7350207319580564
EOS-4-06419,Cc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)n1,SHGBHDGMQNONEI-UHFFFAOYSA-N,4,1,0.467,24,199,432.394,3.204,5,0.417,0.63,1.0,0.7171372764032623,0.5948444246453293,0.4511599616201768,0.4208501816188061,0.5459979610718936
EOS-4-06420,Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)c1F,YLLWEFKHBWHESW-UHFFFAOYSA-N,4,1,0.433,54,691,431.406,3.809,5,0.418,0.73,0.999,0.7234082653690631,0.6187033102597491,0.6918648481940922,0.6752193132753067,0.6772989342745528
EOS-4-06421,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)nn2)ncc1F,ZGJXRNDYBVSKBN-UHFFFAOYSA-N,4,1,0.376,54,411,451.372,2.738,5,0.372,0.54,0.939,0.7204612432321293,0.6323675553423344,0.4328353094373244,0.4333835926255911,0.5547619251593447
EOS-4-06422,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cncnc1,LXVCZDZYLYHVIM-UHFFFAOYSA-N,4,1,0.522,35,982,443.442,3.413,5,0.377,0.65,1.0,0.8891953944212185,0.7901703104653554,0.6889435268316085,0.5681927215406758,0.7341254883147146
EOS-4-06424,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2F)n1,RKSPLUDEEZYHDR-UHFFFAOYSA-N,4,1,0.602,35,393,427.443,3.712,5,0.408,0.77,1.0,0.9409653210883421,0.9066633541224042,0.5443852374751559,0.4769549722431636,0.7172422212322664
EOS-4-06426,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccn5)cn4)n23)c(Cl)c1F,YTKMJOXHTBFRMT-UHFFFAOYSA-N,4,1,0.321,96,26,477.862,4.207,5,0.416,0.7,1.0,0.2857926118840381,0.4116835720649716,0.8103882530326914,0.8106795284764581,0.5796359913645398
EOS-4-06427,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cncc(-c5ccnc(F)c5)n4)n23)cc1,GKFPRVURWFWHHL-UHFFFAOYSA-N,4,1,0.299,39,543,466.415,3.441,6,0.36,0.59,0.981,0.2237852100609965,0.2746984442464533,0.4650897813720787,0.5775392365156603,0.3852781680487972
EOS-4-06428,Fc1cc(-c2nnc3cncc(OCCc4ccnnc4F)n23)ccc1-c1ccsn1,BUNYHZYZEROBEE-UHFFFAOYSA-N,4,1,0.558,37,386,437.435,3.605,5,0.401,0.63,1.0,0.8584401343293812,0.8469090535261462,0.5869114522650949,0.6050476321019806,0.7243270680556506
EOS-4-06429,Cc1nc(-c2nnc3cncc(OCc4ccnc(C)c4F)n23)ccc1-c1ccccc1,ADIPLFJDVODSSG-UHFFFAOYSA-N,4,1,0.404,1,700,426.455,4.583,5,0.409,0.73,1.0,0.7048523062161607,0.5901411829209787,0.65055513672812,0.5869628538139949,0.6331278699198136
EOS-4-06430,Clc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,QTFWMVULKTUTOB-UHFFFAOYSA-N,4,1,0.575,11,201,434.912,4.585,5,0.364,0.7,1.0,0.9268470289904736,0.9239514084024398,0.5900383798231786,0.6258995271057501,0.7666840860804606
EOS-4-06431,COc1cc(-c2nnc3cncc(CNCc4ccc(F)cc4F)n23)ccc1-c1cscn1,OCFLQUWTSCPFEV-UHFFFAOYSA-N,4,1,0.39,14,257,464.501,4.491,5,0.382,0.82,1.0,0.4627167431978617,0.45181961483106026,0.8178157768487424,0.7544376670550339,0.6216974504831745
EOS-4-06433,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nc2cnccn2n1,VSBDOWLPEVAUDW-UHFFFAOYSA-N,4,1,0.562,35,234,453.441,3.052,6,0.379,0.65,1.0,0.8448529915701459,0.846917620450963,0.3744517168117333,0.3984476732232198,0.6161675005140155
EOS-4-06434,Cc1cncc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)nn2)n1,JWXVJDCQWJLCLQ-UHFFFAOYSA-N,4,1,0.411,54,251,418.367,3.417,5,0.437,0.65,1.0,0.6531423480227537,0.5746950174765266,0.5206634226578027,0.5422863408950723,0.5726967822630389
EOS-4-06435,FC(F)n1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1Cl,JYJSQGXKDMMBNU-UHFFFAOYSA-N,4,1,0.556,35,626,502.312,5.373,5,0.278,0.72,1.0,0.910535604139538,0.9086508806798711,0.9282006031115071,0.9290315948187239,0.9191046706874101
EOS-4-06436,Cc1cc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)ccc1F,HMLCXUNZCYBYKP-UHFFFAOYSA-N,4,1,0.368,96,274,401.38,3.897,5,0.456,0.8,1.0,0.3444417791789459,0.4694589130285793,0.8003049825234734,0.7907357275032554,0.6012353505585635
EOS-4-06437,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)cc(Cl)n3)n12,CHESELPNSNVZAW-UHFFFAOYSA-N,4,1,0.495,11,0,487.347,5.377,5,0.3,0.61,1.0,0.8993900349530533,0.9221609211157563,0.802172572133507,0.8620896443012817,0.8714532931258996
EOS-4-06438,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)n1,VAKSBERJWVCODJ-UHFFFAOYSA-N,4,1,0.506,4,31,422.42,4.167,5,0.396,0.73,1.0,0.6240062367212665,0.6713813309574396,0.6643992872318553,0.6606898087862381,0.6551191659241998
EOS-4-06439,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OCc5cccc(F)c5)nn4)n23)cc1F,IENDSDSKRPOUMP-UHFFFAOYSA-N,4,1,0.396,43,331,459.416,3.204,5,0.414,0.83,1.0,0.50007710232335,0.46067781509149475,0.6863306147625249,0.6465543828387362,0.5734099787540264
EOS-4-06440,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cccnc1,DJZDNQLUTIEJJO-UHFFFAOYSA-N,4,1,0.526,35,103,458.909,4.532,5,0.354,0.7,1.0,0.9010177506682201,0.8650623672126654,0.7358988417517648,0.6870588033719416,0.797259440751148
EOS-4-06441,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,BZVXPHDTMCTGHV-UHFFFAOYSA-N,4,1,0.476,24,28,439.863,4.076,5,0.381,0.66,1.0,0.7590638064560346,0.7772685216914537,0.5998989102871634,0.6230124734425331,0.6898109279692961
EOS-4-06442,COCc1cncc2nnc(-c3cnc(-c4cnc(C(F)(F)F)nc4)cc3C)n12,LGPQJCJSGPZOIQ-UHFFFAOYSA-N,4,1,0.379,68,455,401.352,3.117,4,0.519,0.75,1.0,0.469955794667946,0.4783342471386471,0.759723459666918,0.5186159276266191,0.5566573572750326
EOS-4-06443,CCOc1cnc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)nc1,VIDFLVPFJFOKFR-UHFFFAOYSA-N,4,1,0.304,50,914,431.391,2.763,5,0.396,0.74,0.971,0.5254866013295867,0.565322801727092,0.1569888972654376,0.10939962990884793,0.3392994825577411
EOS-4-06444,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)nn5)n34)cc2F)n1,NQVRMFZWQZDCGO-UHFFFAOYSA-N,4,1,0.478,36,208,467.827,3.252,5,0.384,0.61,1.0,0.7963470632581728,0.8500788157083133,0.48619868412034817,0.5322544719347543,0.6662197587553972
EOS-4-06445,CCOc1cc(-c2nnc3cncc(COc4cc(C)ccn4)n23)ccc1-c1cc(F)ccn1,BWYNIEOHMLGXEW-UHFFFAOYSA-N,4,1,0.364,14,257,456.481,4.674,5,0.352,0.6,1.0,0.5537403193749572,0.6138972654375985,0.6810019875265575,0.5453704338290727,0.5985025015420465
EOS-4-06446,Fc1cncc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,GLVIWELOEUIKER-UHFFFAOYSA-N,4,1,0.543,58,559,471.88,4.258,5,0.342,0.6,1.0,0.8541481049962305,0.8735521897059831,0.6420224796107189,0.6955828935645261,0.7663264169693647
EOS-4-06447,COc1ccc(Cl)cc1-c1nnc2cncc(Cc3cnc(C(C)(C)O)cn3)n12,YDXIJLSPEWXPKA-UHFFFAOYSA-N,4,1,0.383,78,5,410.865,3.062,4,0.539,0.72,1.0,0.4395260777191419,0.41169213898978824,0.5869200191899115,0.379746076348434,0.4544710780618189
EOS-4-06448,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccns5)cc4)n23)c1F,MBNSJAPKPUYGJE-UHFFFAOYSA-N,4,1,0.593,35,352,436.447,4.21,5,0.371,0.58,1.0,0.8519292714687136,0.8532914125145638,0.764546638338702,0.7364385580152149,0.8015514700842985
EOS-4-06449,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1ccncc1,JRXVRDIXOGTVSF-UHFFFAOYSA-N,4,1,0.505,35,632,454.881,3.79,5,0.356,0.56,1.0,0.923043314371873,0.9307192790076074,0.6505637036529367,0.6549328353094374,0.7898147830854636
EOS-4-06450,Clc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccsc1,ZMMDMOORGQEFKV-UHFFFAOYSA-N,4,1,0.658,11,275,433.924,5.19,5,0.368,0.69,1.0,0.8798574463710507,0.8765763141662669,0.7073452813378109,0.7570077445000343,0.8051966965937907
EOS-4-06451,Cc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)c(CF)c5)n34)nc2)cn1,RQEKMNHWWMTGPM-UHFFFAOYSA-N,4,1,0.462,51,969,462.876,4.049,5,0.372,0.66,1.0,0.8231272702350764,0.8973596737715029,0.5443938043999725,0.5119679939688849,0.6942121855938591
EOS-4-06452,N#Cc1nc(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)ccc1F,PMZQRWYHAXPVSD-UHFFFAOYSA-N,4,1,0.534,1,702,429.44,3.9,5,0.417,0.66,1.0,0.7109433897608115,0.6664639161126722,0.6644078541566719,0.6204252621478994,0.6655601055445137
EOS-4-06453,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)ccn1,WWYUBQBRQKYSIL-UHFFFAOYSA-N,4,1,0.522,35,143,443.467,3.942,5,0.366,0.7,1.0,0.8560328284558975,0.8681721609211157,0.6295319032280172,0.5931995750805291,0.7367341169213899
EOS-4-06455,Fc1cc(-c2nnc3cncc(COCC4CCOCC4)n23)ccc1-c1ccnnc1,ODINKCOJENYGIO-UHFFFAOYSA-N,4,1,0.435,78,548,420.448,3.331,5,0.473,0.71,1.0,0.3125728188609417,0.25925227880200125,0.20289904735796038,0.4271040367349736,0.30045704543896923
EOS-4-06456,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(F)c(F)c4CO)n23)cc1F,QTSBFTRYEAHZMZ-UHFFFAOYSA-N,4,1,0.34,0,188,439.397,3.26,5,0.498,0.78,1.0,0.40322801727092045,0.46946747995339594,0.7737732163662532,0.8391302857926118,0.6213997498457954
EOS-4-06457,Fc1ccc(F)c(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)c(Cl)n2)c1,RPMXHCLGHDRANA-UHFFFAOYSA-N,4,1,0.467,88,490,500.296,4.85,5,0.243,0.58,1.0,0.920438969227606,0.9439037763004592,0.810396819957508,0.8684120348159825,0.885787900075389
EOS-4-06458,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1C#N,PLZFJYXZODKRTM-UHFFFAOYSA-N,4,1,0.506,43,521,443.417,3.921,5,0.409,0.67,0.999,0.8519378383935302,0.6910167226372421,0.9353025837845247,0.9086508806798711,0.8467270063737921
EOS-4-06459,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ccnc(F)c5)n4)n23)c(F)c1F,MODVXRCAUHATFB-UHFFFAOYSA-N,4,1,0.31,96,26,461.407,3.692,5,0.41,0.76,0.998,0.2537009115208005,0.37842676992666713,0.7956188746487561,0.7518675896100336,0.5449035364265643
EOS-4-06460,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cncc(Br)c3)n12,GNJVIBDFVNTZMA-UHFFFAOYSA-N,4,1,0.5,65,262,493.3,3.561,5,0.331,0.6,1.0,0.8779812898362004,0.8435165512987458,0.3556301829895141,0.3636231238434651,0.6101877869919814
EOS-4-06461,FCc1cc(-c2ccc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)cn2)ccn1,LRAGEEUUUIPTPC-UHFFFAOYSA-N,4,1,0.419,51,196,448.849,3.74,5,0.387,0.66,1.0,0.7263809882804468,0.7516277157151668,0.44748475087382633,0.45538345555479404,0.5952192276060586
EOS-4-06462,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(CC(F)F)nc4)n23)cc1F,XKDJOBQCMMXIGM-UHFFFAOYSA-N,4,1,0.376,66,688,426.402,3.55,4,0.51,0.84,1.0,0.36508806798711535,0.4518281817558769,0.7573418545678843,0.6811990267973408,0.5638642827770544
EOS-4-06463,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cnsn4)cc3Cl)n12,IVNKITHIGMITBO-UHFFFAOYSA-N,4,1,0.552,35,626,453.89,4.119,5,0.357,0.68,1.0,0.8354208073469948,0.884517853471318,0.6180179562744157,0.6722637242135563,0.7525550853265711
EOS-4-06464,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1ccnnc1,ITZSLBUNROXJBE-UHFFFAOYSA-N,4,1,0.467,4,390,434.822,3.41,5,0.387,0.62,1.0,0.6130148721814818,0.8532999794393804,0.6150366664382153,0.6434360222054691,0.6811968850661367
EOS-4-06465,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)c(F)c1F,KSHPOZRMJSAWFG-UHFFFAOYSA-N,4,1,0.517,90,133,458.856,3.489,4,0.455,0.73,1.0,0.6014580906037968,0.5327427866493044,0.6863391816873415,0.6521742855184703,0.6181785861147282
EOS-4-06466,N#Cc1cc(F)c(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4Cl)n23)cn1,FWSGKLTURPRMRH-UHFFFAOYSA-N,4,1,0.358,0,169,447.861,3.753,5,0.474,0.81,1.0,0.17360873140977315,0.30054485641834006,0.0827136591049277,0.3733808512096498,0.23256202453567268
EOS-4-06467,Fc1cnnc(COc2cncc3nnc(-c4cncc(-c5ncccc5F)c4)n23)c1,UYHLQVCJUHOUPP-UHFFFAOYSA-N,4,1,0.451,2,422,418.367,2.896,5,0.429,0.68,1.0,0.5560276883010075,0.5800322116373107,0.5546826811047906,0.577547803440477,0.5670725961208963
EOS-4-06468,N#Cc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,GICNHBPOKFAHKX-UHFFFAOYSA-N,4,1,0.517,35,904,443.467,3.942,5,0.392,0.66,1.0,0.8718816393667329,0.862363785895415,0.6090740867658145,0.5961123295181961,0.7348579603865396
EOS-4-06469,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4Cl)n23)nn1,RZZQBQPXYPLNQH-UHFFFAOYSA-N,4,1,0.483,72,208,451.277,3.924,5,0.396,0.63,1.0,0.6098965115482147,0.8141576999520252,0.6505722705777535,0.7336885751490645,0.7020787643067645
EOS-4-06470,Fc1ccc(-c2nnc3cncc(OCc4ncc(C(F)F)cn4)n23)cc1-c1ncon1,QUUQLDLQZHSZPL-UHFFFAOYSA-N,4,1,0.5,51,82,440.345,3.287,5,0.392,0.7,1.0,0.782237338085121,0.7600661366595847,0.6972106092796929,0.6493300664793366,0.7222110376259339
EOS-4-06471,Cc1cc(-c2cncc3nnc(-c4nccnc4-c4ccc(F)c(F)c4)n23)nc(C)n1,MVKUMRPIEKNLIG-UHFFFAOYSA-N,4,1,0.299,39,961,416.395,3.6,5,0.443,0.78,1.0,0.3421115756288123,0.334821122609828,0.44393804399972586,0.4769635391679803,0.3994585703515866
EOS-4-06472,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c1F,CGRNJGYLWUEBMD-UHFFFAOYSA-N,4,1,0.512,58,28,471.88,4.258,5,0.342,0.57,1.0,0.8426255911178123,0.8681807278459325,0.6756048248920568,0.7175227880200123,0.7759834829689536
EOS-4-06473,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cnccn1,HGTAKPMNPKGVFJ-UHFFFAOYSA-N,4,1,0.54,35,604,443.442,3.413,5,0.353,0.7,1.0,0.9058237954903707,0.7688643684463026,0.6061784661777808,0.47107806181892947,0.6879861729833459
EOS-4-06474,Cn1ncc(-c2ncc(COc3cncc4nnc(-c5ccc(OC(F)F)c(F)c5)n34)cn2)n1,PTXWHRKQGDQWJK-UHFFFAOYSA-N,4,1,0.557,36,863,469.387,2.696,5,0.354,0.75,1.0,0.7140446165444452,0.790178877390172,0.6090826536906312,0.5218285244328695,0.6587836680145296
EOS-4-06475,N#Cc1cccc(-c2cnc(-c3nnc4cncc(OCCc5ccncc5F)n34)nn2)c1,NSIFPVXVCYRJMT-UHFFFAOYSA-N,4,1,0.511,35,161,439.414,2.671,5,0.392,0.71,1.0,0.8541566719210473,0.7009629223493935,0.4439466109245425,0.48906860393393187,0.6220337022822288
EOS-4-06476,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c(Cl)c2)o1,MFTCEHFQQFFECN-UHFFFAOYSA-N,4,1,0.57,35,352,450.861,4.564,5,0.35,0.73,1.0,0.9074600781303543,0.9106384072373381,0.7597320265917347,0.7308529230347475,0.8271708587485437
EOS-4-06477,NC(=O)c1ccc(-c2nnc3cncc(-c4ncsc4-c4ccc(F)c(F)c4)n23)cc1,WAFJXXWOCUMPSD-UHFFFAOYSA-N,4,1,0.489,96,837,434.431,3.959,5,0.462,0.79,1.0,0.24841511890891646,0.31583681721609214,0.7125368377767116,0.7095469810156946,0.4965839387293537
EOS-4-06478,Fc1nccc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)n1,NLFAJDIVYAOABA-UHFFFAOYSA-N,4,1,0.474,58,954,448.849,3.452,5,0.287,0.55,0.991,0.830511959427044,0.9383010074703585,0.43284387636214106,0.4553920224796107,0.6642622164347887
EOS-4-06479,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)nc4F)n23)ncc1Cl,FCXMNUULCRCOIJ-UHFFFAOYSA-N,4,1,0.511,58,28,455.812,3.789,5,0.356,0.59,1.0,0.820377287368926,0.7643924336920019,0.6029316016722637,0.6259080940305668,0.7034023541909397
EOS-4-06480,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccs5)nc4F)n23)ccn1,GZMIASICVZNJBA-UHFFFAOYSA-N,4,1,0.542,58,28,436.447,4.21,5,0.371,0.67,1.0,0.9010263175930368,0.9106469741621548,0.6420310465355356,0.631913508327051,0.7714044616544445
EOS-4-06481,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)ccn2)cn1,RQXDUWPEXBDHQA-UHFFFAOYSA-N,4,1,0.489,75,525,434.822,3.41,5,0.306,0.68,1.0,0.604473648139264,0.6810191213761908,0.6388527174285519,0.6407545747378521,0.6412750154204647
EOS-4-06482,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)nc1-c1ncccn1,HRUZEPXORBAEPV-UHFFFAOYSA-N,4,1,0.489,80,34,478.451,3.213,6,0.352,0.71,1.0,0.6531509149475704,0.7058889041189774,0.21006099650469467,0.1964824206702762,0.4413958090603797
EOS-4-06483,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccc(F)nn1,DGQCNUIUOCKNTD-UHFFFAOYSA-N,4,1,0.505,72,925,461.432,3.552,5,0.363,0.63,1.0,0.9134826262764718,0.8024895483517237,0.709898224933178,0.6113443218422315,0.7593036803509012
EOS-4-06485,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccccn1,NCHAPORTHPGUEH-UHFFFAOYSA-N,4,1,0.539,11,777,458.909,4.532,5,0.331,0.75,1.0,0.9134911932012885,0.8257830169282434,0.6835377972722911,0.6113528887670482,0.7585412240422178
EOS-4-06487,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ncncn5)c4)n23)ccn1,ZBEYIVJFJWXEPQ-UHFFFAOYSA-N,4,1,0.549,75,359,415.392,2.194,5,0.385,0.57,1.0,0.8176358714275923,0.6760931396066068,0.30385168939757384,0.27009800561990266,0.5169196765129188
EOS-4-06488,Fc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)nc5)n34)cn2)cn1,MPTUUYCXQQFHGV-UHFFFAOYSA-N,4,1,0.355,86,845,405.784,2.893,5,0.333,0.67,1.0,0.2942653005277226,0.5010879994517168,0.49275238160509904,0.5584863957233911,0.4616480193269824
EOS-4-06489,Cc1cncc(COc2cncc3nnc(-c4cc(Cl)nc(-c5ncccn5)c4)n23)c1Cl,JNSVQCXFQKBZIN-UHFFFAOYSA-N,4,1,0.471,55,242,465.304,4.233,5,0.355,0.58,0.962,0.7048608731409773,0.6617435405386882,0.5511702419299568,0.5989908162565966,0.6291913679665547
EOS-4-06490,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(C#N)n5)n34)c(F)cn2)n1,RXVKWVBJAKQUBT-UHFFFAOYSA-N,4,1,0.443,73,702,457.404,3.076,5,0.391,0.65,0.999,0.7263895552052635,0.715081214447262,0.506913508327051,0.45230792954561033,0.6001730518812968
EOS-4-06491,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cnc(F)cn1,KRESRGLWPJCSJP-UHFFFAOYSA-N,4,1,0.528,35,777,443.442,3.413,5,0.377,0.69,1.0,0.8854773490507847,0.7688729353711192,0.5642348022753753,0.43649338633404156,0.6637696182578302
EOS-4-06492,Cc1ccc(-c2nnc3cncc(CCc4ncc(-c5ccccn5)cn4)n23)cc1F,ARGBYPGZQXXSIE-UHFFFAOYSA-N,4,1,0.386,14,886,411.444,3.876,5,0.437,0.78,1.0,0.43047940511274074,0.514598039887602,0.4181087656774724,0.452316496470427,0.45387567678706053
EOS-4-06493,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(Cl)nn5)cc4F)n23)cc1F,VAGNVPMNSQMUAQ-UHFFFAOYSA-N,4,1,0.337,22,768,465.811,2.736,5,0.427,0.62,0.998,0.2561424850935508,0.3255517099581934,0.5138527174285519,0.5551709958193407,0.4126794770749092
EOS-4-06494,NC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccccc5F)c4)n23)cc1F,JJJRREBRUHPNAI-UHFFFAOYSA-N,4,1,0.347,96,648,429.39,3.292,5,0.469,0.7,1.0,0.27750839558632034,0.28520149407168804,0.7531183606332671,0.7672709204304023,0.5207747926804195
EOS-4-06495,Fc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)ncn1,HJCILHZIMDQNMG-UHFFFAOYSA-N,4,1,0.433,51,199,435.81,2.805,5,0.384,0.65,1.0,0.6837605373175245,0.6567061887464876,0.3591426221643479,0.38943526831608527,0.5222611541361113
EOS-4-06496,Cc1nc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1-c1ccnnc1,QRDKHZWWVKUDAY-UHFFFAOYSA-N,4,1,0.44,59,109,431.406,3.809,5,0.418,0.64,1.0,0.6747824001096566,0.59944486327188,0.7914382153382222,0.7596377904187512,0.7063258172846276
EOS-4-06497,Fc1ncccc1CCOc1cncc2nnc(-c3cccc(-c4cscn4)c3)n12,FNNJMBQZFNFPJW-UHFFFAOYSA-N,4,1,0.556,11,201,418.457,4.07,5,0.387,0.74,1.0,0.8075011993694743,0.7600747035844013,0.5775306695908436,0.5584949626482077,0.6759003837982318
EOS-4-06498,Cc1cc(-c2cncc3nnc(-c4cnc(-c5ccc(F)nn5)cn4)n23)ccc1Cl,VFPRLHTZMQINBN-UHFFFAOYSA-N,4,1,0.3,50,844,418.823,3.806,5,0.439,0.77,0.999,0.3071071208279076,0.41631827839078883,0.6061870331025975,0.6929528476458091,0.5056413199917758
EOS-4-06499,Clc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccn2)nc1,FQSOQEICSRRHLL-UHFFFAOYSA-N,4,1,0.582,75,420,430.859,3.313,5,0.404,0.67,1.0,0.851946405318347,0.7644010006168186,0.3109194023713248,0.34409053526146255,0.5678393358919883
EOS-4-06500,Fc1cc(-c2ncc(-c3nnc4cncc(-c5cnc(-c6cccnc6)cn5)n34)cn2)ccn1,VQZSJBBQMKUMBE-UHFFFAOYSA-N,4,1,0.338,86,989,448.425,3.301,6,0.374,0.71,1.0,0.25121650332396683,0.3255602768830101,0.38563155369748475,0.40429031594818726,0.34167466246316225
EOS-4-06501,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)nn2)nc1,VXCHLVPNYNDBHX-UHFFFAOYSA-N,4,1,0.494,54,263,433.382,2.333,5,0.398,0.58,0.995,0.7234168322938798,0.632376122267151,0.2782965526694538,0.31571688026865874,0.48745159687478584
EOS-4-06502,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncncc1F,JUZSNJKDIMHXFA-UHFFFAOYSA-N,4,1,0.505,35,729,477.887,4.066,5,0.323,0.64,1.0,0.9610718936330614,0.8681892947707491,0.7099067918579947,0.6434445891302858,0.7956531423480226
EOS-4-06503,Fc1cnc(CCCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)cc1F,QIMAGNDDKDTFBL-UHFFFAOYSA-N,4,1,0.506,73,325,453.384,3.665,5,0.344,0.71,1.0,0.8541652388458639,0.7858354465081214,0.6388612843533685,0.6576913851004044,0.7341383387019395
EOS-4-06504,Cc1nc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1-c1ccnnc1,VLDWIOVZZFLRAO-UHFFFAOYSA-N,4,1,0.435,59,910,447.861,4.323,5,0.396,0.61,1.0,0.7414587759577822,0.7009714892742102,0.7979405112740731,0.7932629703241725,0.7584084367075594
EOS-4-06505,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cnco1,RAHCTRPXWORWQD-UHFFFAOYSA-N,4,1,0.74,91,955,447.882,4.73,5,0.356,0.7,1.0,0.8651651703104654,0.7472757179082996,0.7831282982660545,0.7227828798574464,0.7795880165855665
EOS-4-06506,NC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(C(F)F)n5)cnn4)n23)cc1F,RIIGANQHIRWSBA-UHFFFAOYSA-N,4,1,0.33,50,768,463.383,2.881,5,0.42,0.63,0.728,0.22088958947296278,0.2852100609965047,0.6726064012062231,0.6082002604345145,0.4467265780275512
EOS-4-06507,N#Cc1ccc(-c2nnc3cncc(-c4cc(-c5ccnn5C(F)F)ccn4)n23)cc1,MRAVQZCOLSLPFC-UHFFFAOYSA-N,4,1,0.418,74,121,414.379,3.984,5,0.441,0.73,1.0,0.234939346172298,0.3054622712631074,0.8763364402714002,0.8502330203550134,0.5667427695154548
EOS-4-06509,COCCc1nc(-c2nnc3cncc(Cl)n23)ccc1-c1ncc(Cl)cc1F,BRXICNVHBUHNPL-UHFFFAOYSA-N,4,1,0.385,90,861,419.247,3.883,4,0.489,0.66,0.989,0.3535312864094305,0.4343687889795079,0.5275512302104036,0.6782948392844904,0.4984365362209582
EOS-4-06510,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)nn3)n12,FHRMMHJFDMWXRJ-UHFFFAOYSA-N,4,1,0.452,65,324,433.382,2.333,5,0.398,0.64,1.0,0.7295935850866972,0.6229525049688164,0.34403913371256256,0.37338941813446647,0.5174936604756356
EOS-4-06511,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4F)n23)ccc1F,LRMORFZXBVRCFS-UHFFFAOYSA-N,4,1,0.433,4,702,431.366,2.7,5,0.42,0.59,0.995,0.6868274964018916,0.7381947776026317,0.5478548420259064,0.505285792611884,0.6195407271605784
EOS-4-06512,Cn1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)(F)F)nn5)n34)cn2)n1,NXISWHMHWYEPAK-UHFFFAOYSA-N,4,1,0.456,36,52,454.376,2.37,5,0.394,0.69,1.0,0.44406654787197586,0.528236584195737,0.5444023713247893,0.35372832568021384,0.467608457268179
EOS-4-06513,Fc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3nccc(Cl)n3)n12,QHLQQZVCHLHDME-UHFFFAOYSA-N,4,1,0.449,65,324,449.837,2.847,5,0.285,0.61,1.0,0.7680676444383524,0.8469261873757796,0.21675176478651223,0.27606915221712014,0.5269536872044411
EOS-4-06514,O=C(NCCO)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,TWNINXQGAXIYEF-UHFFFAOYSA-N,4,1,0.805,48,378,455.877,2.927,4,0.423,0.88,1.0,0.6809334521280241,0.4163268453156055,0.7023079295456103,0.6377989856761017,0.6093418031663353
EOS-4-06515,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4nccs4)nc3Cl)n12,ZDUIETKMJYSBJS-UHFFFAOYSA-N,4,1,0.46,24,564,474.308,4.73,5,0.34,0.53,1.0,0.7936227811664724,0.7982746213419231,0.6835463641971078,0.759646357343568,0.7587725310122678
EOS-4-06516,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)cn1,KGDWAPUPIJNSLD-UHFFFAOYSA-N,4,1,0.588,35,234,443.442,3.413,5,0.377,0.7,1.0,0.887353505585635,0.829612432321294,0.5546912480296073,0.4459769721060928,0.6794085395106574
EOS-4-06517,Fc1cc(-c2nnc3cncc(COc4ccnc(Cl)n4)n23)ccc1-c1nccs1,OPGYVBLKAHKUNS-UHFFFAOYSA-N,4,1,0.398,14,767,439.863,4.076,5,0.381,0.71,1.0,0.6472054691248029,0.7150897813720787,0.5409241998492221,0.5484545267630732,0.6129184942772942
EOS-4-06518,Fc1ccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)s1,LZUVYTZLOWIELM-UHFFFAOYSA-N,4,1,0.771,90,305,392.362,4.172,4,0.493,0.76,1.0,0.9500633952436434,0.9546724007950106,0.9518453156055102,0.9319443492563909,0.9471313652251389
EOS-4-06519,Fc1ncc(Cl)cc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,DKDXCPUVQRKDJB-UHFFFAOYSA-N,4,1,0.506,58,28,471.88,4.258,5,0.342,0.62,1.0,0.8584487012541978,0.8950980056199027,0.629540470152834,0.6693681036255226,0.7631138201631142
EOS-4-06520,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)ccn1,HDMNEDFTWHPQCT-UHFFFAOYSA-N,4,1,0.542,75,496,414.404,2.799,5,0.391,0.61,1.0,0.7990456445754232,0.7241792886025632,0.5206719895826194,0.46467000205606196,0.6271417312041669
EOS-4-06521,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,VMENNTGFAFTWPP-UHFFFAOYSA-N,4,1,0.512,35,143,471.88,4.258,5,0.342,0.55,1.0,0.7878743746144884,0.8363803029264615,0.7229627852785964,0.762199300938935,0.7773541909396203
EOS-4-06523,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cccc(F)c5F)n4)n23)nnc1Cl,KDWLIHIIXGBMHO-UHFFFAOYSA-N,4,1,0.4,37,442,484.829,3.731,5,0.359,0.59,1.0,0.7963556301829895,0.8066016722637243,0.6354944829004181,0.722791446782263,0.7403108080323487
EOS-4-06524,COc1cc(C(=O)O)ccc1-c1nnc2cncc(-c3ccc(-c4cnc(F)cn4)cn3)n12,ADNOSUFCWADAME-UHFFFAOYSA-N,4,1,0.379,82,274,443.398,3.156,5,0.435,0.72,0.999,0.3697484750873826,0.21845658282502914,0.5069220752518676,0.3314029196079775,0.3566325131930642
EOS-4-06525,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)ccn1,YUVXWAZTUIKPMF-UHFFFAOYSA-N,4,1,0.476,24,28,423.408,3.562,5,0.399,0.66,1.0,0.7475412925776164,0.7150983482968953,0.6029401685970804,0.5745151120553766,0.6600237303817422
EOS-4-06526,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nn4)n23)cc1,ZOUDTNSOAJMJOX-UHFFFAOYSA-N,4,1,0.447,54,691,424.399,3.233,5,0.422,0.74,0.88,0.8330306353231444,0.7009800561990268,0.6726149681310397,0.6783034062093071,0.7212322664656295
EOS-4-06527,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1cc[nH]n1,KWJDAPOBFOINLW-UHFFFAOYSA-N,4,1,0.468,4,469,446.833,3.82,5,0.436,0.59,1.0,0.842634158042629,0.8296209992461107,0.8696114042903159,0.8684206017407992,0.8525717908299637
EOS-4-06528,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncon5)nn4)n23)cc1F,LWITUXBFHNXZGJ-UHFFFAOYSA-N,4,1,0.458,54,445,426.318,2.628,5,0.391,0.59,0.989,0.6560208347611541,0.5282451511205538,0.6239719690219999,0.6493386334041532,0.6143941470769653
EOS-4-06529,COc1cc(-c2nnc3cncc(COc4ccnc(Cl)n4)n23)ccc1-c1cnnc(F)c1,QPHQPFYDBMPCGJ-UHFFFAOYSA-N,4,1,0.371,14,351,464.848,3.418,5,0.349,0.56,1.0,0.653159481872387,0.6761017065314234,0.6029487355218971,0.5052943595367007,0.6093760708656021
EOS-4-06530,FCc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5nnco5)c4)n23)ccn1,ISDUSCLTMQNBFO-UHFFFAOYSA-N,4,1,0.517,4,253,421.367,3.424,5,0.411,0.7,1.0,0.7936313480912891,0.6323846891919677,0.644960934822836,0.5900469467479953,0.6652559797135219
EOS-4-06531,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(C#N)c4)n23)cc1F,BATBYRJBAVWZJX-UHFFFAOYSA-N,4,1,0.41,66,678,433.422,3.303,4,0.483,0.79,1.0,0.33741690082927833,0.39717976835035296,0.7458793091631828,0.6465629497635529,0.5317597320265918
EOS-4-06532,Fc1ccc(Cl)nc1COc1cncc2nnc(-c3ccc(-c4cc[nH]n4)cc3)n12,BFCYXUAKYDWEOK-UHFFFAOYSA-N,4,1,0.472,43,22,421.823,3.948,5,0.432,0.63,1.0,0.8519549722431636,0.840029812898362,0.7359074086765814,0.7622078678637516,0.7975250154204647
EOS-4-06533,Fc1cc(-c2cncc3nnc(-c4cnn(-c5ccc(Cl)cn5)c4)n23)ccc1-c1nc[nH]n1,GNFWXKLWDYARQV-UHFFFAOYSA-N,4,1,0.321,45,151,458.848,3.617,6,0.429,0.65,1.0,0.02228257144815297,0.23356863820163115,0.544410938249606,0.6407631416626688,0.36025632239051475
EOS-4-06534,Fc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5cncnc5)c4)n23)c1,QZNWUXPCFVUKJU-UHFFFAOYSA-N,4,1,0.523,65,454,414.404,2.799,5,0.418,0.67,1.0,0.7906671921047221,0.7104807758207115,0.4996744568569666,0.46802823658419573,0.617212665341649
EOS-4-06535,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1cscn1,RGTBGXAZFLYYSP-UHFFFAOYSA-N,4,1,0.467,97,383,452.446,4.176,5,0.382,0.68,1.0,0.8979079569597698,0.7428380508532657,0.8178243437735591,0.717531354944829,0.7940254266328559
EOS-4-06536,CC1CN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)cc2F)CC(C)O1,NLWBGLPKWJQRPL-UHFFFAOYSA-N,4,1,0.361,0,21,490.926,4.372,5,0.423,0.78,1.0,0.39472106092796927,0.49159584675484885,0.7531269275580837,0.7999194709067233,0.6098408265369063
EOS-4-06537,Fc1cccc(-c2cncnc2-c2nnc3cncc(-c4ccc(CN5CCC(F)C5)cn4)n23)c1,NBEBUDYIYVKPEL-UHFFFAOYSA-N,4,1,0.27,52,776,470.487,3.993,6,0.384,0.73,0.895,0.17086731546843945,0.14539784798848604,0.2528699198135837,0.4982780481118498,0.26685328284558973
EOS-4-06538,Fc1cc(-c2nc[nH]n2)cc(F)c1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,ZORMAZWTEHMZKD-UHFFFAOYSA-N,4,1,0.489,47,164,441.789,2.877,5,0.442,0.58,1.0,0.6747909670344733,0.7472842848331163,0.547863408950723,0.6050561990267973,0.6437487149612775
EOS-4-06539,Clc1cncc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,NMDLUSVECDMFCV-UHFFFAOYSA-N,4,1,0.597,35,559,469.357,5.238,5,0.339,0.59,1.0,0.9089592899732712,0.9184685765197724,0.7435748063874992,0.8106880954012747,0.8454226920704544
EOS-4-06540,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4nccnc4-c4ccnnc4)n23)cn1,JOAJMMUGKSNHRI-UHFFFAOYSA-N,4,1,0.28,85,976,432.398,2.531,5,0.412,0.59,1.0,0.3325337536837777,0.17735247755465697,0.2704663833870194,0.18031663354122404,0.24016731204166952
EOS-4-06541,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)n4)n23)ccc1-c1nc[nH]n1,PSPDCEUTTLRJSM-UHFFFAOYSA-N,4,1,0.511,47,164,440.801,3.482,5,0.417,0.59,1.0,0.7936399150161059,0.8102683160852581,0.7573504214927009,0.7794445205948872,0.7851757932972381
EOS-4-06542,O=C(NC1CC1)c1ccc(-c2nnc3cncc(C4CCC(F)(F)C4)n23)c(Cl)c1,SXRRFFPCTHQWJK-UHFFFAOYSA-N,4,1,0.429,78,792,417.847,4.24,5,0.689,0.67,1.0,0.24842368583373312,0.40219141936810365,0.4616715783702282,0.7336971420738811,0.4614959564114865
EOS-4-06543,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)c(F)c1F,DIESRWJOERGKAH-UHFFFAOYSA-N,4,1,0.356,0,21,466.423,3.211,5,0.497,0.85,0.998,0.17927146871359056,0.2289253649509972,0.10478205743266397,0.31572544719347545,0.20717608457268177
EOS-4-06544,Fc1nc(-c2ccncc2)c(F)c(F)c1-c1nnc2cncc(OCCc3cscn3)n12,SFPVEYVSUHIXIX-UHFFFAOYSA-N,4,1,0.583,87,143,455.425,3.744,5,0.36,0.64,0.996,0.704869440065794,0.7286940579809471,0.5342505654170379,0.5585035295730245,0.6315793982592008
EOS-4-06545,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccs4)nc3F)n12,FPYVPBFPQNPWOA-UHFFFAOYSA-N,4,1,0.524,58,28,436.447,4.21,5,0.371,0.72,1.0,0.8673840038379823,0.8845264203961346,0.6505808375025701,0.6493472003289699,0.7629596155164142
EOS-4-06547,Fc1cnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)nc2)cn1,FALJDDFKKOYDQO-UHFFFAOYSA-N,4,1,0.437,51,48,435.81,2.805,5,0.384,0.64,1.0,0.7204698101569461,0.8793177301076006,0.3928963059420191,0.42085874854362276,0.6033856486875471
EOS-4-06548,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cncc(C(F)(F)F)n5)ncn4)n23)cc1F,AUCYGQLKKYTNOK-UHFFFAOYSA-N,4,1,0.336,74,768,495.4,3.223,5,0.377,0.57,1.0,0.27470701117126994,0.36897745185388253,0.8422315125762456,0.6842831197313413,0.5425497738331848
EOS-4-06549,Cn1cncc1-c1nc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)ccc1F,SDGYIPJJZXVMQX-UHFFFAOYSA-N,4,1,0.413,46,488,437.385,3.583,5,0.418,0.69,1.0,0.5930710712082791,0.5327513535741211,0.8081094510314577,0.8041943663902406,0.6845315605510246
EOS-4-06550,Fc1cnc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c(F)c1,HYQHJHVEQBSZON-UHFFFAOYSA-N,4,1,0.467,2,875,418.367,2.896,5,0.429,0.63,1.0,0.5645346446439586,0.5514786512233568,0.5965321088342129,0.5932081420053458,0.5764383866767185
EOS-4-06551,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1ccsc1,KALFHXGSJPKRDC-UHFFFAOYSA-N,4,1,0.517,97,83,451.458,4.781,5,0.346,0.62,1.0,0.7354447947364814,0.7772770886162703,0.8535826879583305,0.7886111301487219,0.7887289253649511
EOS-4-06552,Clc1ccnc(CCOc2cncc3nnc(-c4cc(-c5ccncc5)cnc4Cl)n23)c1,BBXTZKJAHSOSMR-UHFFFAOYSA-N,4,1,0.495,87,490,464.316,4.572,5,0.34,0.68,1.0,0.6747995339592899,0.7287026249057639,0.6781320677129737,0.7596549242683847,0.7103222877116031
EOS-4-06553,Fc1cc(-c2cc(-c3nnc4cncc(OCc5nc(Cl)ncc5F)n34)ccn2)n[nH]1,JTZYOKLZWUEFLU-UHFFFAOYSA-N,4,1,0.452,73,199,441.789,2.877,5,0.413,0.63,1.0,0.7048780069906107,0.7009886231238435,0.47901103419916385,0.5154890000685354,0.6000916660955383
EOS-4-06554,Fc1cncc(Cl)c1COc1cncc2nnc(-c3ccc(-c4ncno4)cc3)n12,GNWGEYRYTAPGKO-UHFFFAOYSA-N,4,1,0.544,16,980,423.795,3.608,5,0.422,0.71,1.0,0.8718902062915496,0.7104893427455281,0.7073538482626276,0.714927009800562,0.7511651017750668
EOS-4-06555,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nn4)n23)ccn1,IMEZDLGEIDNPRX-UHFFFAOYSA-N,4,1,0.414,54,565,418.367,2.896,5,0.402,0.65,1.0,0.6958827359331095,0.5653313686519087,0.6180265231992325,0.605064765951614,0.6210763484339661
EOS-4-06556,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(CF)n4)n23)ccc1F,ZCNVMOUOVIAOBW-UHFFFAOYSA-N,4,1,0.484,4,911,451.412,3.914,5,0.389,0.66,0.999,0.6560294016859708,0.6713898978822562,0.7761205537660202,0.7308614899595641,0.7086003358234528
EOS-4-06557,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(C)c4F)n23)ccc1-c1nc[nH]n1,KCJJUFYDSWOWHF-UHFFFAOYSA-N,4,1,0.5,47,164,433.422,4.05,5,0.449,0.63,1.0,0.787882941539305,0.6664724830374888,0.8270080871770269,0.7468045370433829,0.7570420121993009
EOS-4-06558,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccon5)c(F)c4)n23)ccc1F,PAAFTVMYKZHECW-UHFFFAOYSA-N,4,1,0.547,4,702,431.362,3.57,5,0.415,0.71,1.0,0.7444571996436159,0.7428466177780824,0.8178329106983757,0.7815691179494209,0.7716764615173737
EOS-4-06559,COc1cc(-c2nnc3cncc(OCc4cc(F)cnn4)n23)ccc1-c1ccnc(F)c1,JRQYURHFRPMALD-UHFFFAOYSA-N,4,1,0.452,72,83,447.405,3.509,5,0.365,0.59,1.0,0.7234253992186964,0.7335172366527312,0.7531354944829004,0.6693766705503392,0.7198637002261667
EOS-4-06560,Fc1cnc(-c2cnnc(-c3cncc4nnc(-c5ccc(-c6ccc(F)nn6)cc5)n34)c2)nc1,MRKRMSLLFAGTPW-UHFFFAOYSA-N,4,1,0.313,3,63,466.415,3.441,6,0.385,0.69,1.0,0.3444503461037626,0.4021999862929203,0.4927609485299157,0.5354413679665547,0.44371316222328827
EOS-4-06561,Fc1cc(-c2nncs2)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,FHECYHNEYZQXMZ-UHFFFAOYSA-N,4,1,0.541,34,712,441.398,3.701,5,0.384,0.69,0.999,0.5382770200808717,0.6041309711465972,0.7382804468507984,0.7518761565348503,0.6581411486532794
EOS-4-06562,Clc1cnc(-c2ccc(-c3nnc4cncc(OC5CCOCC5)n34)c(Cl)n2)nc1,GWCYIJWCJCEKJN-UHFFFAOYSA-N,4,1,0.416,68,548,444.282,3.508,5,0.441,0.68,1.0,0.4750959495579467,0.509826262764718,0.07604859159756014,0.2877201699677884,0.3371727434720033
EOS-4-06563,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)cc1-c1cncnn1,VMSONUYYXLRKCJ-UHFFFAOYSA-N,4,1,0.479,37,125,449.837,2.847,5,0.36,0.61,1.0,0.9281749023370571,0.9106555410869714,0.4289973271194572,0.47405935165512986,0.685471780549654
EOS-4-06564,Cc1nc(-c2ccc(-c3nnc4cncc(CNc5ccc(F)c(F)c5)n34)cn2)sc1C,SEMCGGLFZOTJGR-UHFFFAOYSA-N,4,1,0.354,14,291,449.49,4.817,5,0.415,0.82,0.994,0.14915016105818654,0.2492803783153999,0.46509834829689534,0.4333921595504078,0.3242302618052224
EOS-4-06565,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)c2)n1,YFJCXBPIZFCDHL-UHFFFAOYSA-N,4,1,0.59,35,393,427.443,3.712,5,0.408,0.74,1.0,0.9296141457062573,0.9127030361181551,0.5409327667740388,0.47406791857994657,0.7143294667945994
EOS-4-06566,Fc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1ncon1,JMRMFPMGZCDJJZ-UHFFFAOYSA-N,4,1,0.565,35,325,455.812,3.789,5,0.356,0.68,1.0,0.902696867932287,0.8818021383044342,0.7597405935165513,0.7794530875197039,0.8309231718182442
EOS-4-06568,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(-c5cscn5)c(F)c4)n23)cc1F,SBZUAODMPDDFAR-UHFFFAOYSA-N,4,1,0.386,14,291,463.473,3.904,5,0.395,0.82,1.0,0.27471557809608665,0.2798557329860873,0.6671664039476389,0.6050733328764307,0.4567027619765609
EOS-4-06569,COc1ccc(-c2ccc(-c3cncc4nnc(-c5cnccc5-c5ccccc5)n34)c(F)c2)nn1,VMYVTUBFSZVOMD-UHFFFAOYSA-N,4,1,0.315,93,220,475.487,5.125,6,0.342,0.74,0.999,0.497292851757933,0.5468268110479062,0.7553885957096841,0.7389829346857651,0.6346227983003221
EOS-4-06570,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnccn1,CFKXNGCUGIQFTG-UHFFFAOYSA-N,4,1,0.528,35,982,443.442,3.413,5,0.377,0.67,1.0,0.9042646151737372,0.7688815022959359,0.6265763141662669,0.49828661503666644,0.6995022616681515
EOS-4-06572,Fc1ncc(F)c(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4Cl)n23)n1,ZWCADQFQVKJKHY-UHFFFAOYSA-N,4,1,0.463,37,832,455.816,2.92,5,0.388,0.56,1.0,0.75048831471455,0.7982831882667397,0.4961448838324995,0.5682012884654924,0.6532794188198204
EOS-4-06573,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)nn1,JSICUJYFIQBZEH-UHFFFAOYSA-N,4,1,0.625,59,294,432.394,3.204,5,0.417,0.71,1.0,0.8607789048043314,0.8141662668768419,0.6239805359468166,0.5932167089301624,0.7230356041395382
EOS-4-06574,Clc1cncc(CCOc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c1,WPAZDWJAZHWGGH-UHFFFAOYSA-N,4,1,0.537,75,420,430.859,3.313,5,0.404,0.71,1.0,0.833039202247961,0.7472928517579329,0.3440477006373792,0.37975464327325065,0.5760335994791309
EOS-4-06575,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccc(F)c5)n4)n23)cc1Cl,WCKIQABJQSXDTO-UHFFFAOYSA-N,4,1,0.384,62,802,458.884,4.672,5,0.423,0.88,1.0,0.28857686244945513,0.40220855321773696,0.7808580631896375,0.8042029333150572,0.5689616030429717
EOS-4-06576,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)cn2)nc1,LPAXEHDLWUYMBP-UHFFFAOYSA-N,4,1,0.426,7,930,433.382,2.599,5,0.386,0.68,1.0,0.7590723733808512,0.715106915221712,0.26315879651840174,0.22898533342471386,0.49158085463641965
EOS-4-06577,O=C(Nc1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1)c1cncc(F)c1,YQMARJHZCCYOLN-UHFFFAOYSA-N,4,1,0.388,96,140,445.845,4.293,5,0.443,0.83,1.0,0.16280583921595504,0.42521074635049005,0.7149698444246453,0.7308700568843808,0.5084641217188678
EOS-4-06578,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(Cl)n4)n23)cc1F,NCASXVFDWORCIR-UHFFFAOYSA-N,4,1,0.314,90,129,431.258,4.049,4,0.493,0.81,0.976,0.2994482900418066,0.42076451237063944,0.6918734151189089,0.7596634911932013,0.5429374271811391
EOS-4-06579,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5sccc5Cl)n34)c(F)c2)n1,ASQAWIQDOKKXQB-UHFFFAOYSA-N,4,1,0.5,4,526,452.902,4.99,5,0.374,0.74,1.0,0.8282931258995271,0.8623723528202316,0.6810105544513742,0.6982472071825098,0.7674808100884106
EOS-4-06580,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4F)n23)nc(Cl)n1,ODWBZPQIHFMHKC-UHFFFAOYSA-N,4,1,0.5,37,490,471.88,4.258,5,0.27,0.67,1.0,0.8448615584949627,0.9167551915564389,0.6355030498252348,0.6783119731341237,0.76885794325269
EOS-4-06581,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1nnccc1F,YHFPSBCYSCRPNF-UHFFFAOYSA-N,4,1,0.515,72,925,461.432,3.552,5,0.339,0.64,1.0,0.9362535124391749,0.8024981152765404,0.6671749708724556,0.5775563703652937,0.7458707422383661
EOS-4-06582,CCn1ccnc1-c1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1F,XKCOPLPJYFANGN-UHFFFAOYSA-N,4,1,0.432,73,353,452.4,3.461,5,0.364,0.68,1.0,0.6927129737509423,0.6910252895620588,0.5478719758755397,0.5119765608937016,0.6108967000205606
EOS-4-06583,OCc1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1Cl,ISEMQYLVCZBFJA-UHFFFAOYSA-N,4,1,0.541,90,400,399.813,3.093,4,0.501,0.78,1.0,0.9058323624151875,0.927686587622507,0.7979490781988897,0.8083835926255911,0.8599629052155437
EOS-4-06584,CCCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)cc1Cl,PMVISFPMQUCQLD-UHFFFAOYSA-N,4,1,0.381,66,364,471.899,4.077,4,0.436,0.74,1.0,0.2590723733808512,0.33482968953464465,0.482540607223631,0.33777671167157836,0.35355484545267635
EOS-4-06585,Cc1ncc(-c2cc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)ncn2)s1,CAUSCBGXJXJRGQ-UHFFFAOYSA-N,4,1,0.363,13,971,457.853,4.737,5,0.385,0.59,0.999,0.6353745459529847,0.652028647796587,0.6972191762045097,0.7149355767253787,0.674889486669865
EOS-4-06586,OCc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncn4)n23)ccc1Cl,BPQIKJINBOJWEF-UHFFFAOYSA-N,4,1,0.457,4,817,446.858,2.763,5,0.419,0.66,1.0,0.6685713796175725,0.8296295661709273,0.6180350901240491,0.5840329655266946,0.6750672503598109
EOS-4-06587,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccsc1,QCVTYAZKPUPMCP-UHFFFAOYSA-N,4,1,0.543,4,208,438.875,4.681,5,0.396,0.72,1.0,0.7680762113631691,0.7858440134329381,0.7573589884175177,0.8042115002398739,0.7788726783633747
EOS-4-06588,Fc1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)cc1-c1ncon1,OJQTTZWSFVYZLC-UHFFFAOYSA-N,4,1,0.562,73,82,423.795,3.608,5,0.422,0.7,1.0,0.892716400520869,0.802506682201357,0.6889520937564252,0.7254985950243301,0.7774184428757454
EOS-4-06589,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,GWNFGPKRWXWWOO-UHFFFAOYSA-N,4,1,0.558,90,255,390.205,4.211,4,0.489,0.78,1.0,0.9339918442875745,0.9565742581043108,0.9469793023096429,0.9665718593653622,0.9510293160167226
EOS-4-06590,CNC(=O)Cc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,JFFRQPOQXHOXPI-UHFFFAOYSA-N,4,1,0.685,48,17,407.861,3.312,4,0.53,0.86,1.0,0.8519635391679803,0.8180385168939758,0.6180436570488658,0.5713025152491261,0.714837057089987
EOS-4-06591,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nnc(C(F)(F)F)s4)nc3)n12,ZEELGTXECGRXKU-UHFFFAOYSA-N,4,1,0.554,58,904,488.43,3.879,5,0.332,0.72,1.0,0.8231358371598931,0.85008738263313,0.6997978205743266,0.5713110821739429,0.7360830306353231
EOS-4-06592,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc5cc(F)cc(F)c5s4)n23)cc1F,SNBOFQYKIDBZQZ-UHFFFAOYSA-N,4,1,0.315,45,768,454.437,4.235,5,0.439,0.76,1.0,0.33014358165992735,0.4022171201425536,0.5900469467479953,0.6230210403673497,0.48635717222945646
EOS-4-06593,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ccc(F)nn1,DPVBLZUGBZLBLG-UHFFFAOYSA-N,4,1,0.49,72,925,461.432,3.552,5,0.363,0.61,1.0,0.9190682612569392,0.7940254266328559,0.7048094715920773,0.6144798163251319,0.758095743951751
EOS-4-06594,CNC(=O)Cc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cn1,QRTGAARBHTZZQH-UHFFFAOYSA-N,4,1,0.558,90,636,433.859,2.579,4,0.496,0.8,1.0,0.5870228222877116,0.5901497498457954,0.537677335343705,0.4646785689808786,0.5448821191145227
EOS-4-06595,COc1cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)ccc1-c1ccc(F)nn1,TYDRRDPLZJQLDF-UHFFFAOYSA-N,4,1,0.511,72,224,447.405,3.509,5,0.39,0.65,1.0,0.7793245836474539,0.7335258035775478,0.7073624151874444,0.6082088273593311,0.7071054074429443
EOS-4-06596,Fc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cscn1,OZIZSSHRSXSKDC-UHFFFAOYSA-N,4,1,0.633,35,393,418.457,4.07,5,0.414,0.79,1.0,0.8519721060927969,0.8500959495579467,0.6621204852306216,0.6378075526009184,0.750499023370571
EOS-4-06597,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4cnccn4)nc3F)n12,FQSQVZXJOIOSKP-UHFFFAOYSA-N,4,1,0.456,65,324,433.382,2.333,5,0.372,0.59,1.0,0.7534267699266671,0.7560825166198342,0.27830511959427046,0.2938455212117059,0.5204149818381194
EOS-4-06598,Cc1nc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)c(F)c2)cs1,GBGQSUKGZIHMNM-UHFFFAOYSA-N,4,1,0.376,14,189,436.447,4.475,5,0.378,0.78,1.0,0.49730141868274963,0.6372164347885683,0.7458878760879994,0.6982557741073264,0.644665375916661
EOS-4-06599,Fc1cc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)cn1,MZIYFJMIHRAPPW-UHFFFAOYSA-N,4,1,0.512,58,28,471.88,4.258,5,0.342,0.62,1.0,0.8021897059831403,0.8871393324652183,0.6644164210814886,0.7036615036666438,0.7643517407991227
EOS-4-06600,CC(F)c1ncc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cn1,OQLCHILZPQSKHU-UHFFFAOYSA-N,4,1,0.5,68,811,434.262,3.935,4,0.425,0.71,1.0,0.785150092522788,0.8219964361592763,0.4996830237817833,0.5186244945514358,0.6563635117538208
EOS-4-06601,FCc1cc(-c2nnc3cncc(Cc4cnc(CC5CC5)nc4)n23)cc(CF)n1,SJJVEYCAKGPCJW-UHFFFAOYSA-N,4,1,0.364,78,364,407.428,3.459,5,0.467,0.68,0.939,0.19630251524912617,0.19013432938112534,0.06749880063052567,0.19114522650949214,0.16127021794256732
EOS-4-06602,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(F)c1F,XYKAYLGIIDIIJP-UHFFFAOYSA-N,4,1,0.516,90,133,444.829,3.099,4,0.491,0.75,1.0,0.6988211911452266,0.6274929751216504,0.6835549311219244,0.6434531560551024,0.6633305633609758
EOS-4-06603,Cc1nc2cc(F)c(F)cc2cc1-c1cncc2nnc(-c3cnc(C(O)c4ccccc4)s3)n12,QAYUFKBBKWPXRF-UHFFFAOYSA-N,4,1,0.291,96,586,486.507,5.131,6,0.372,0.52,0.998,0.33494105955726133,0.4343773559043246,0.8504814611746967,0.8520149407168802,0.6179537043382908
EOS-4-06604,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cnccc5F)n34)cn2)ccn1,OWGVCDNEDRIONQ-UHFFFAOYSA-N,4,1,0.467,55,879,413.416,3.67,5,0.434,0.78,1.0,0.8330477691727778,0.7287111918305805,0.6810191213761908,0.6050818998012474,0.7119649955451992
EOS-4-06605,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c(F)c2)cs1,GVGPTLASZQBXEI-UHFFFAOYSA-N,4,1,0.484,88,490,468.464,4.657,5,0.361,0.72,1.0,0.8150315262833253,0.865070934137482,0.7508823932561168,0.7389915016105819,0.7924940888218766
EOS-4-06606,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(C5(F)COC5)c4)n23)cc1F,RGJSZSVSEGQGNP-UHFFFAOYSA-N,4,1,0.33,0,999,422.395,2.547,5,0.543,0.66,1.0,0.31510006168185867,0.3689860187786992,0.8374083339044617,0.7468131039681996,0.5670768795833048
EOS-4-06607,Cc1ccc2c(Cl)ccc(-c3cncc4nnc(-c5ccc(C(C)(C)O)nc5)n34)c2n1,RTQAFGVXNHDMSN-UHFFFAOYSA-N,4,1,0.353,82,336,430.899,4.591,5,0.45,0.78,0.999,0.334949626482078,0.465004112123912,0.8040401617435405,0.6982643410321431,0.5755645603454184
EOS-4-06608,Clc1cnnc(Oc2ccc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cn2)c1,FRECXPZJAXUZAO-UHFFFAOYSA-N,4,1,0.457,55,875,467.276,4.049,5,0.341,0.61,1.0,0.7017425125077102,0.8180470838187924,0.6090912206154478,0.6082173942841478,0.6842745528065246
EOS-4-06609,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(C)NC5CC5)c(F)c4)n23)c(F)c1F,FSHAKUXIFJFMNG-UHFFFAOYSA-N,4,1,0.318,0,129,466.467,4.048,5,0.448,0.68,0.97,0.37196730861489957,0.4252193132753067,0.8709821122609828,0.8449643615927627,0.6282832739359879
EOS-4-06610,CN(Cc1ccc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)cc4)n23)nc1)CC(F)F,SBPFEMNEPMFYDH-UHFFFAOYSA-N,4,1,0.29,22,315,477.454,3.541,5,0.351,0.64,0.866,0.23494791309711466,0.3106538277020081,0.5608165992735248,0.5775649372901104,0.42099581934068947
EOS-4-06611,Fc1ncccc1-c1cnc(COc2cncc3nnc(-c4nccnc4-c4cccnc4)n23)nc1,IOYYXYMRTOSLQH-UHFFFAOYSA-N,4,1,0.371,80,855,478.451,3.213,6,0.329,0.64,1.0,0.5755174422589268,0.5098348296895346,0.25605681584538414,0.2642382290453019,0.4014118292097869
EOS-4-06612,OCc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)nn1,WEHBJPOYBYCJMB-UHFFFAOYSA-N,4,1,0.494,36,208,465.836,2.297,5,0.397,0.68,1.0,0.762353505585635,0.822005003084093,0.31848399698444246,0.3669128229730656,0.567438832156809
EOS-4-06613,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(Br)ccc4F)n23)cc1,AYFANDFSWBFEPI-UHFFFAOYSA-N,4,1,0.58,48,17,470.302,4.022,4,0.461,0.84,1.0,0.8759680625042835,0.5852923034747447,0.7175656226440956,0.6144883832499486,0.6983285929682681
EOS-4-06614,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1)N1CC(F)C1,UORQHPXIBRMKJR-UHFFFAOYSA-N,4,1,0.38,66,345,439.401,2.904,5,0.475,0.76,0.882,0.2127938455212117,0.32101123980535945,0.26702247961071895,0.34736310054142966,0.28704766636967993
EOS-4-06615,Cc1cc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,DGCMCUVHHOCMRU-UHFFFAOYSA-N,4,1,0.568,35,509,427.443,3.712,5,0.408,0.77,1.0,0.9010348845178535,0.8180556507436091,0.49276951545473235,0.4394575423206086,0.6628293982592008
EOS-4-06616,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cccnc5F)n34)ccc2F)cs1,KZTIPQOTEAQDTC-UHFFFAOYSA-N,4,1,0.523,97,666,436.447,4.475,5,0.378,0.76,1.0,0.8738862997738331,0.7858525803577547,0.7531440614077171,0.7065656911794942,0.7798621581796998
EOS-4-06617,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]cn5)cc4)n23)nc1Cl,SBLFDWRLQKFRLS-UHFFFAOYSA-N,4,1,0.522,15,922,435.85,3.99,5,0.405,0.64,1.0,0.929622712631074,0.8469347543005963,0.6998063874991433,0.7175399218696457,0.7984759440751148
EOS-4-06618,Cc1cccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cc4F)n23)n1,KSFYYKLVHUDPEW-UHFFFAOYSA-N,4,1,0.35,96,140,400.392,4.502,5,0.417,0.76,1.0,0.3583458981563978,0.5237132478925365,0.8723785210060997,0.8744859845109999,0.6572309128915085
EOS-4-06619,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncsc4F)nc3F)n12,ACUIMXOXOGOZPG-UHFFFAOYSA-N,4,1,0.518,58,271,455.425,3.744,5,0.36,0.6,1.0,0.8203858542937427,0.8257915838530601,0.6061956000274141,0.6113614556918648,0.7159336234665203
EOS-4-06620,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)nc5)cn4)n23)c(F)c1F,QTACKXVYMHGDAF-UHFFFAOYSA-N,4,1,0.314,82,736,463.383,2.482,5,0.403,0.72,1.0,0.2804211500239874,0.3495990679185799,0.5642433692001919,0.48615584949626484,0.420104859159756
EOS-4-06621,N#Cc1cc(-c2cscn2)ccc1-c1nnc2cncc(COc3cccnc3Cl)n12,RPYOARGSNSZURP-UHFFFAOYSA-N,4,1,0.38,14,189,445.895,4.414,5,0.369,0.69,1.0,0.572878829415393,0.5747035844013433,0.7281971763415804,0.7280087039956137,0.6509470735384826
EOS-4-06624,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)c(OC)cn4)n23)c(F)c1F,SECYRLNGTNJVRH-UHFFFAOYSA-N,4,1,0.341,90,26,414.347,2.639,4,0.552,0.71,0.847,0.6157305873483654,0.590158316770612,0.7784935919402372,0.654941402234254,0.6598309745733671
EOS-4-06625,N#Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)c5Cl)n34)cn2)s1,GCESQMYYONGWEA-UHFFFAOYSA-N,4,1,0.473,59,483,482.863,4.087,5,0.344,0.74,0.999,0.8330563360975944,0.9086594476046879,0.7125454047015284,0.769781029401686,0.8060105544513742
EOS-4-06627,Cn1nncc1-c1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1F,HIBKUAJAHBIDGS-UHFFFAOYSA-N,4,1,0.462,73,79,439.361,2.373,5,0.384,0.62,0.999,0.5433829072716058,0.6187118771845658,0.520680556507436,0.5119851278185182,0.5486901171955314
EOS-4-06629,Fc1cc(-c2ccncc2)ccc1-c1nnc2cncc(-c3nnc4ccccn34)n12,OSHGLLKEMSWBBI-UHFFFAOYSA-N,4,1,0.364,3,474,408.4,3.702,6,0.444,0.75,1.0,0.25370947844561714,0.34960763484339663,0.5444195051744226,0.672272291138373,0.4550022274004524
EOS-4-06630,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cnc4F)n23)ccc1F,KXFMGEFZFVOLSJ-UHFFFAOYSA-N,4,1,0.54,37,353,451.412,3.626,5,0.367,0.66,1.0,0.9216726064012062,0.8735607566307998,0.7691899115893359,0.7468216708930162,0.8278112363785894
EOS-4-06631,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnc5)cc4)n23)nc1,QFSLEVNKNWJWSB-UHFFFAOYSA-N,4,1,0.63,11,922,428.883,4.523,5,0.395,0.73,1.0,0.944966074977726,0.9450774450003426,0.69981495442396,0.7337057089986978,0.8308910458501815
EOS-4-06632,COc1cc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)ccc1-c1ccsc1,GVGGAOSQXVZSCM-UHFFFAOYSA-N,4,1,0.489,97,83,451.458,4.781,5,0.37,0.58,1.0,0.8203944212185594,0.7814920156260708,0.8595881022548146,0.7977263381536563,0.8148002193132753
EOS-4-06633,Fc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,WXQZZJDVSQADTB-UHFFFAOYSA-N,4,1,0.488,73,196,434.822,3.41,5,0.414,0.68,1.0,0.6592334315674045,0.7009971900486601,0.5308066616407374,0.5932252758549791,0.6210656397779453
EOS-4-06634,Cn1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cc2F)n1,GXHMEHZNOWYYHL-UHFFFAOYSA-N,4,1,0.517,4,712,437.385,3.583,5,0.391,0.69,1.0,0.6099050784730313,0.6713984648070729,0.8341786032485778,0.8020098005619902,0.7293729867726682
EOS-4-06635,Fc1ccc(-c2cc(-c3nnc4cncc(OC5CCNCC5)n34)ccc2F)nn1,OHGZMTAITFERMT-UHFFFAOYSA-N,4,1,0.435,90,636,409.4,2.657,5,0.554,0.74,0.998,0.5174936604756357,0.3158453841409088,0.22047837708176274,0.42711260365979026,0.37023250633952437
EOS-4-06636,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(Cl)c(-c5csnn5)c4)n23)n1,RRWHGTNRRIWFMH-UHFFFAOYSA-N,4,1,0.456,73,526,458.841,3.61,5,0.368,0.63,1.0,0.567387430607909,0.7560910835446508,0.5838187924062779,0.652182852443287,0.6398700397505311
EOS-4-06637,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nn3)n12,SDQKRSNBKUKLAU-UHFFFAOYSA-N,4,1,0.461,54,411,449.837,2.847,5,0.36,0.59,0.836,0.8204029881433761,0.7901874443149887,0.23130697005003084,0.3064131999177575,0.5370776506065382
EOS-4-06638,Cc1nc(-c2ccc(-c3nnc4cncc(CNCc5ccc(Cl)cn5)n34)c(F)c2)cs1,OVXHLQMNPXAXJQ-UHFFFAOYSA-N,4,1,0.313,14,291,465.945,4.701,5,0.391,0.84,1.0,0.3019755328627236,0.3784353368514838,0.5775392365156603,0.6113700226166815,0.46733003221163727
EOS-4-06639,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nn2)nn1,WYEJBHJHQPWGSV-UHFFFAOYSA-N,4,1,0.556,54,411,433.382,2.599,5,0.412,0.67,0.975,0.747549859502433,0.6617521074635049,0.41064697416215473,0.4301709958193407,0.5625299842368583
EOS-4-06640,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1F,XCXZXICKWKHFIR-UHFFFAOYSA-N,4,1,0.615,43,293,418.407,4.049,5,0.431,0.69,1.0,0.9120690836817216,0.8066102391885409,0.8469433212254129,0.8290213145089439,0.8486609896511548
EOS-4-06641,N#Cc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,WCABTUFOQHBGGS-UHFFFAOYSA-N,4,1,0.536,97,744,444.907,5.019,5,0.378,0.7,1.0,0.7263981221300801,0.8025152491261737,0.852126310739497,0.8667586183263656,0.8119495750805291
EOS-4-06642,CNC(=O)c1ccc(-c2nnc3cncc(-c4ocnc4-c4ccc(F)cc4)n23)cc1F,XMLUMJFCVUJMCE-UHFFFAOYSA-N,4,1,0.356,96,648,432.39,3.751,5,0.465,0.85,1.0,0.39677712288396955,0.4562487149612775,0.6972277431293263,0.6783205400589405,0.5571435302583785
EOS-4-06643,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cnn2)nc1,XRNGPPVVPMQOJY-UHFFFAOYSA-N,4,1,0.466,55,382,419.355,2.29,5,0.396,0.65,1.0,0.6717240079501062,0.5800407785621273,0.40032382975807,0.39845624014803643,0.512636214104585
EOS-4-06644,Fc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1nncs1,CMHGJVVCQGTQIG-UHFFFAOYSA-N,4,1,0.545,37,832,471.88,4.258,5,0.342,0.68,1.0,0.9105441710643547,0.9450860119251594,0.7458964430128161,0.7839592899732712,0.8463714789939003
EOS-4-06645,COc1cc(-c2nnc3cncc(OCCCc4ccc(Cl)nc4)n23)ccc1-c1cccnc1,MCRZVFUJODDBDZ-UHFFFAOYSA-N,4,1,0.511,35,103,472.936,4.922,5,0.234,0.76,1.0,0.9162840106915222,0.8025238160509903,0.6564149133027208,0.6144969501747652,0.7474299225549996
EOS-4-06646,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ncncc3F)n12,XORCULYFRPDERA-UHFFFAOYSA-N,4,1,0.495,37,832,432.394,2.938,5,0.403,0.67,1.0,0.8519806730176136,0.829638133095744,0.5069306421766843,0.5322630388595709,0.6802031217874033
EOS-4-06648,Oc1c(F)cccc1COc1cncc2nnc(-c3ccnc(-c4cncs4)c3)n12,HAMJIXKMLKABRB-UHFFFAOYSA-N,4,1,0.53,97,183,420.429,3.734,5,0.462,0.63,1.0,0.7851586594476047,0.6714070317318895,0.6477366184634363,0.5869714207388116,0.6728184325954355
EOS-4-06649,Fc1ccccc1COc1ccc(Cc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)nc1,LVAYPUUHDNQEOO-UHFFFAOYSA-N,4,1,0.427,41,492,494.555,5.619,6,0.287,0.69,1.0,0.5487029675827565,0.6041395380714139,0.8081180179562745,0.7794616544445206,0.6851055445137414
EOS-4-06650,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cnccn1,VVWIEJPEWJIVBM-UHFFFAOYSA-N,4,1,0.534,35,729,443.442,3.413,5,0.353,0.71,1.0,0.9058409293400042,0.7688900692207525,0.6180522239736824,0.48308889041189773,0.6939680282365841
EOS-4-06653,OCc1cc(-c2ccnc(F)c2)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,ROQDQNOFRGJRFB-UHFFFAOYSA-N,4,1,0.473,72,418,463.86,3.507,5,0.381,0.62,1.0,0.5728873963402097,0.5901668836954287,0.7853214310191213,0.7697895963265027,0.6795413268453157
EOS-4-06654,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5ccsc5)c4)n23)c1,DWTJEJDRJCMDTA-UHFFFAOYSA-N,4,1,0.592,2,884,403.442,4.633,5,0.428,0.79,1.0,0.7623620725104516,0.6520372147214036,0.8324566513604277,0.8370228222877116,0.7709696902199987
EOS-4-06655,Fc1ncc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4F)n23)n1,GMQHRTQCSLJWSR-UHFFFAOYSA-N,4,1,0.473,37,6,440.349,1.8,5,0.392,0.56,1.0,0.7680847782879857,0.7815005825508875,0.33672297991912825,0.3765506133918169,0.5657147385374546
EOS-4-06656,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)cc(Cl)n1,PGQMUPSYVXAUJM-UHFFFAOYSA-N,4,1,0.556,58,28,471.88,4.258,5,0.342,0.57,1.0,0.877989856761017,0.8793262970324173,0.6449695017476527,0.6722808580631896,0.7686416284010692
EOS-4-06657,Cn1c(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cnc1Cl,VAPQXTBIDBZWTD-UHFFFAOYSA-N,4,1,0.64,90,281,407.236,3.592,4,0.506,0.64,1.0,0.6044822150640806,0.4736909738880132,0.7435833733123158,0.8229987663628264,0.661188832156809
EOS-4-06658,Clc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)nc3Cl)n12,CWXDCVYIXWQOKX-UHFFFAOYSA-N,4,1,0.506,35,143,465.304,3.967,5,0.347,0.63,1.0,0.765112055376602,0.8363888698512781,0.59990747721198,0.6783291069837571,0.7199343773559044
EOS-4-06659,Clc1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cn5)n34)cn2)nc1,QTHQQEMZLDOTJE-UHFFFAOYSA-N,4,1,0.488,44,692,480.315,4.697,5,0.331,0.66,1.0,0.7963641971078061,0.8435251182235625,0.6209564114865328,0.6407717085874854,0.7254043588513468
EOS-4-06660,Fc1nc(-c2ncc(Cl)nn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,RHUXQENOLMQXEA-UHFFFAOYSA-N,4,1,0.523,58,271,449.837,2.847,5,0.36,0.64,1.0,0.8738948666986499,0.9066719210472209,0.2313155369748475,0.29686107874717294,0.5771858508669728
EOS-4-06661,Fc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cnn2)nn1,DKEBFQSXYKMCEE-UHFFFAOYSA-N,4,1,0.438,55,875,436.798,2.2,5,0.378,0.57,0.78,0.7906757590295388,0.8623809197450483,0.22381091083544652,0.2968696456719896,0.5434343088205058
EOS-4-06662,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c1Cl,GTMGBJKPIKLZRF-UHFFFAOYSA-N,4,1,0.477,75,183,429.871,4.184,5,0.413,0.77,1.0,0.6268761565348503,0.6041481049962305,0.6591991638681379,0.6347577273661846,0.6312452881913508
EOS-4-06663,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cncnc1,XECPIVDPWMCQHZ-UHFFFAOYSA-N,4,1,0.528,35,215,443.442,3.413,5,0.353,0.63,1.0,0.9230518812966897,0.8066188061133576,0.6810276883010075,0.5517699266671235,0.7406170755945446
EOS-4-06664,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc5c(F)cC(CC4)NC5=O)n23)c(F)c1F,DGFDPRROTKXMSW-UHFFFAOYSA-N,4,1,0.355,78,792,466.423,2.885,6,0.618,0.56,0.049,0.38821876499211844,0.33979850592831196,0.5478805428003564,0.4617058460694949,0.43440091494757044
EOS-4-06665,COCc1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)cn1,IEQOIXMYNUHVNV-UHFFFAOYSA-N,4,1,0.667,90,281,413.84,3.747,4,0.459,0.71,1.0,0.7264066890548968,0.8533085463641971,0.7979576451237064,0.7768658762250702,0.7886346891919676
EOS-4-06666,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)ccc2F)s1,NNKIMWABBYHZSA-UHFFFAOYSA-N,4,1,0.5,34,772,455.425,4.01,5,0.37,0.6,1.0,0.802198272907957,0.8141748338016586,0.7023164964704269,0.6982729079569597,0.7542406277842506
EOS-4-06667,N#Cc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cscn1,PUWBNTPOUNRBDJ-UHFFFAOYSA-N,4,1,0.528,11,201,443.467,3.942,5,0.366,0.71,0.997,0.9281834692618738,0.9147847988486053,0.704818038516894,0.6693852374751559,0.8042928860256322
EOS-4-06668,COc1c(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4F)n23)ccnc1Cl,ZQSNGCPMVYTIRW-UHFFFAOYSA-N,4,1,0.489,35,143,477.887,4.066,5,0.323,0.6,1.0,0.8330649030224111,0.8220135700089096,0.5869285861147283,0.5322716057843876,0.6935696662326092
EOS-4-06669,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)ccc1F,KLBCVMNVZLSLDS-UHFFFAOYSA-N,4,1,0.551,11,275,427.399,3.474,5,0.405,0.7,1.0,0.9420276197656089,0.8871478993900349,0.6180607908984991,0.564783085463642,0.7530048488794463
EOS-4-06670,Fc1cc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)ccc1-c1nncs1,GFAPBXMCTLLIRB-UHFFFAOYSA-N,4,1,0.467,73,526,458.841,3.61,5,0.368,0.69,1.0,0.8022068398327736,0.8469433212254129,0.5240644918100199,0.5840415324515112,0.6893140463299294
EOS-4-06671,Cn1cncc1-c1ccc(-c2nnc3cncc(OCC(F)(F)F)n23)c(F)c1,JIWKTSMKWOYRLH-UHFFFAOYSA-N,4,1,0.547,68,861,392.316,3.272,4,0.499,0.75,1.0,0.7590809403056679,0.7516362826399835,0.972380234391063,0.9335120964978412,0.8541523884586388
EOS-4-06672,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)cc1Cl,WOZKHCQQQUATTE-UHFFFAOYSA-N,4,1,0.462,73,526,454.828,3.492,5,0.375,0.65,1.0,0.6988297580700432,0.7241878555273799,0.697236310054143,0.6955914604893427,0.7039613460352272
EOS-4-06673,O=C(c1ccc(-c2cncc3nnc(-c4cc(F)c(Cl)c(F)c4)n23)nc1)N1CCCC1,KEDYDNRHWMZWHG-UHFFFAOYSA-N,4,1,0.375,0,175,440.841,4.021,5,0.45,0.83,0.999,0.18231272702350765,0.31066239462682477,0.09696045507504626,0.42712117058460697,0.2542641868274964
EOS-4-06674,Cc1c(-c2cncc3nnc(-c4cccc(Cl)c4)n23)ccc(C(=O)N2CCCC2)c1F,MFTDTYHPKSVVJX-UHFFFAOYSA-N,4,1,0.412,0,21,435.89,4.795,5,0.464,0.84,0.997,0.15745151120553766,0.2592608457268179,0.08035775478034404,0.3894438352409019,0.22162848673840035
EOS-4-06675,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4F)n23)cc1F,MVQSXFLVHOKUSX-UHFFFAOYSA-N,4,1,0.343,0,21,466.423,3.211,5,0.497,0.9,0.999,0.21837948050167913,0.19921526968679323,0.11271502981289837,0.3217993968884929,0.2130272942224659
EOS-4-06676,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1C#N,ZVACMHGFFKGLBA-UHFFFAOYSA-N,4,1,0.512,43,521,459.872,4.435,5,0.386,0.65,1.0,0.7381776437529984,0.7940339935576726,0.917346309368789,0.9109296826811047,0.8401219073401412
EOS-4-06677,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4cnc(-c5cscn5)cc4F)n23)c1,BJRBGULFQHIPQN-UHFFFAOYSA-N,4,1,0.484,58,698,471.88,4.258,5,0.342,0.68,1.0,0.8022154067575903,0.8296467000205606,0.6671835377972722,0.7202385031868961,0.7548210369405799
EOS-4-06678,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCC3CCOCC3)n12,GJKWVAVBAYMJBM-UHFFFAOYSA-N,4,1,0.5,78,548,425.489,4.249,5,0.46,0.81,1.0,0.46752278802001235,0.48713247892536493,0.06534850250154205,0.2552943595367007,0.318824532245905
EOS-4-06679,Cc1ccc(-c2ncoc2-c2cncc3nnc(-c4ccc(C(F)F)nc4Cl)n23)nn1,UADNTKXRRDQFLL-UHFFFAOYSA-N,4,1,0.337,50,243,440.801,4.198,5,0.383,0.66,0.998,0.29427386745253925,0.4694760468782126,0.5575954355424577,0.5647916523884586,0.47153425056541703
EOS-4-06680,FCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)nc1,NQMFIVVQQIUCPO-UHFFFAOYSA-N,4,1,0.532,65,699,446.421,3.268,5,0.375,0.68,1.0,0.7793331505722706,0.8180642176684257,0.34808272222602976,0.3440991021862792,0.5723947981632513
EOS-4-06681,Fc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1-c1nc[nH]n1,UCMKZXYIXQHUSJ-UHFFFAOYSA-N,4,1,0.489,47,164,438.373,3.01,5,0.406,0.65,1.0,0.9042731820985539,0.8562384346514975,0.6863477486121582,0.6752278802001234,0.7805218113905833
EOS-4-06682,FCOc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c(F)n1,IVXKFWQBGSGWBD-UHFFFAOYSA-N,4,1,0.449,24,786,453.434,3.729,5,0.344,0.66,0.999,0.807509766294291,0.7241964224521965,0.5342591323418545,0.43340072647522443,0.6248415118908917
EOS-4-06683,FCc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)c(Cl)n1,CLNNSJYGNKHBBV-UHFFFAOYSA-N,4,1,0.495,58,143,484.919,5.193,5,0.296,0.55,1.0,0.809934206017408,0.8594767322321979,0.6781406346377904,0.7095555479405112,0.7642767802069769
EOS-4-06684,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)n23)c(F)c1,HVZVXIXCJMCYIE-UHFFFAOYSA-N,4,1,0.432,62,504,484.466,4.348,5,0.386,0.87,1.0,0.20173394558289356,0.33980707285312867,0.797966212048523,0.6929614145706258,0.5081171612637927
EOS-4-06685,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4cc(C(F)F)nc(CF)n4)n23)cc1F,UHRNZYKOAZKNQR-UHFFFAOYSA-N,4,1,0.312,66,542,463.37,3.494,4,0.422,0.73,0.998,0.33495819340689464,0.36899458570351584,0.6420396134603523,0.5682098553903091,0.478550561990268
EOS-4-06686,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(-c5ccccn5)c(F)c4)n23)c(F)c1F,SDDBCYNBYKUPNE-UHFFFAOYSA-N,4,1,0.352,14,291,489.461,4.242,5,0.37,0.75,1.0,0.3098228359947913,0.3878760879994517,0.8143033376739086,0.7416129806044822,0.5634038105681585
EOS-4-06687,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5Cl)n34)nn2)nc1,NMWNSHXLZFAHMZ-UHFFFAOYSA-N,4,1,0.442,54,411,448.849,3.718,5,0.4,0.7,0.992,0.735453361661298,0.7382033445274484,0.4862072510451648,0.5551795627441574,0.6287608799945171
EOS-4-06688,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)cc4)n23)cc1F)N1CCCC1,GLEXOYBUZPAGAU-UHFFFAOYSA-N,4,1,0.374,93,366,463.516,5.5,6,0.353,0.89,1.0,0.20462099924611063,0.2134020971831951,0.1602357617709547,0.46468713590569527,0.26073649852648895
EOS-4-06689,O=C(c1ccc(-c2cncc3nnc(-c4cc(-c5ccccn5)ccc4F)n23)cc1F)N1CCCC1,IPQMIYCLJIQPKZ-UHFFFAOYSA-N,4,1,0.339,62,376,482.494,5.035,6,0.359,0.86,1.0,0.1328216023576177,0.17736104447947365,0.16347405935165513,0.45232506339524364,0.2314954423959975
EOS-4-06690,Fc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1cscn1,IEDUDVPLFOFENQ-UHFFFAOYSA-N,4,1,0.494,73,196,439.863,4.076,5,0.407,0.76,1.0,0.8330734699472278,0.8533171132890138,0.5642519361250086,0.6259166609553835,0.7191397950791584
EOS-4-06691,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cnccn1,YCDFLTNUPYYFRL-UHFFFAOYSA-N,4,1,0.517,35,604,443.442,3.413,5,0.353,0.68,1.0,0.9149904050442054,0.7688986361455692,0.5745408128298266,0.44901823041600986,0.6768620211089028
EOS-4-06692,Fc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1nccs1,ORRUSQQGDWGHDR-UHFFFAOYSA-N,4,1,0.56,4,31,438.875,4.681,5,0.371,0.81,1.0,0.7504968816393668,0.8435336851483791,0.7048266054417106,0.7440631211020492,0.7607300733328763
EOS-4-06693,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1F,URSKXYPPJLVRCA-UHFFFAOYSA-N,4,1,0.529,16,772,453.84,4.097,5,0.373,0.63,1.0,0.8873620725104516,0.8180727845932424,0.8486824069631965,0.8391388527174286,0.8483140291960798
EOS-4-06694,Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5ccc(F)nn5)cc4F)n23)cn1,RGJTVIHESQFVLS-UHFFFAOYSA-N,4,1,0.396,13,706,418.367,3.417,5,0.437,0.73,1.0,0.6837691042423412,0.6957285312864094,0.5642605030498252,0.49527962442601603,0.609759440751148
EOS-4-06696,OCc1cnc(-c2ccc(-c3nnc4cncc(CCC5CC5)n34)cc2Cl)nc1,VOTAENBINBPQJR-UHFFFAOYSA-N,4,1,0.426,78,75,406.877,3.737,5,0.524,0.78,1.0,0.31258138578575834,0.4783428140634638,0.13565725447193475,0.41112672195188815,0.3344270440682613
EOS-4-06697,Clc1ccc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4Cl)n23)nn1,UYBIVKQXUDMAAE-UHFFFAOYSA-N,4,1,0.483,72,820,451.277,3.924,5,0.396,0.76,1.0,0.6779264615173737,0.8141834007264752,0.5745493797546433,0.6722894249880063,0.6847371667466245
EOS-4-06698,Fc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)c1,JSIXOUYCMLKBQS-UHFFFAOYSA-N,4,1,0.578,84,672,436.447,4.21,5,0.397,0.64,1.0,0.817644438352409,0.8845349873209513,0.759749160441368,0.7544462339798506,0.8040937050236447
EOS-4-06699,Fc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,IGIRYDGRCBBBCZ-UHFFFAOYSA-N,4,1,0.461,65,262,449.837,2.847,5,0.36,0.64,1.0,0.8125985196353916,0.8735693235556165,0.15699746419025426,0.2144986635597286,0.5144159927352477
EOS-4-06700,Fc1cnc(Cl)nc1COc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,LUANIIMMKGGVNX-UHFFFAOYSA-N,4,1,0.5,97,22,439.863,4.076,5,0.381,0.67,1.0,0.8176530052772257,0.8220221369337263,0.5376859022685216,0.5648002193132753,0.6855403159481872
EOS-4-06701,Cc1c[nH]c(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)n1,XZVNXAWHNGXLGI-UHFFFAOYSA-N,4,1,0.557,35,161,433.422,3.785,5,0.438,0.68,1.0,0.815040093208142,0.760083270509218,0.7335515043519978,0.6897659516140087,0.7496102049208415
EOS-4-06702,Cc1nccc(-c2nnc3cncc(OCc4cc(-c5cnc(Cl)nn5)ccc4F)n23)n1,DKNDVLXPNCLABQ-UHFFFAOYSA-N,4,1,0.396,46,915,449.837,3.113,5,0.398,0.68,1.0,0.7109519566856282,0.622961071893633,0.4218096771982729,0.4271297375094236,0.5457131108217395
EOS-4-06703,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)nn2)nc1,IWIVZCJIVCEZJL-UHFFFAOYSA-N,4,1,0.461,54,411,433.382,2.333,5,0.372,0.6,0.836,0.7793417174970872,0.6520457816462203,0.234862243848948,0.2673137550544856,0.4833908745116853
EOS-4-06704,Cn1cnnc1-c1cc(-c2nnc3cncc(OCCc4cc(F)cnc4F)n23)ccc1F,PPXVTXDXKVFWFW-UHFFFAOYSA-N,4,1,0.54,37,125,452.4,3.021,5,0.366,0.69,1.0,0.8873706394352683,0.8400383798231786,0.6388698512781852,0.6407802755123021,0.7517647865122337
EOS-4-06705,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5nccs5)nn4)n23)cc1F,CPDUGTNPTABSKX-UHFFFAOYSA-N,4,1,0.442,54,445,441.398,3.701,5,0.384,0.67,0.931,0.7264152559797136,0.6664810499623055,0.7099153587828113,0.7280172709204304,0.7077072339113153
EOS-4-06706,CCn1nc(C(F)F)cc1-c1cncc2nnc(-c3ccc(C(=O)NC)c(Cl)c3F)n12,XOTHSEZYVDZEBS-UHFFFAOYSA-N,4,1,0.318,66,129,449.824,3.764,4,0.501,0.64,0.984,0.272436776094853,0.35932252758549793,0.6889606606812418,0.6407888424371188,0.4903772016996779
EOS-4-06707,CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)c(F)c1,QJHNHQKUSAGNRD-UHFFFAOYSA-N,4,1,0.371,66,542,445.38,3.546,4,0.472,0.82,1.0,0.24301795627441575,0.4067747241450209,0.8060105544513742,0.6434617229799191,0.5248162394626825
EOS-4-06708,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)ccn1,NKZDFZWXXBEUST-UHFFFAOYSA-N,4,1,0.488,75,420,416.832,3.271,5,0.402,0.7,1.0,0.7109605236104448,0.652054348571037,0.42900589404427386,0.43340929340004114,0.5563575149064492
EOS-4-06709,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)c(F)c1,UKXWUFFVZIOLNU-UHFFFAOYSA-N,4,1,0.46,51,196,448.849,3.718,5,0.4,0.6,1.0,0.7963727640326228,0.7010057569734768,0.4366304571311082,0.4585960523610445,0.598151257624563
EOS-4-06710,FC(F)c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc(-c2ccncn2)n1,AGJXKZNFXUFJDR-UHFFFAOYSA-N,4,1,0.452,27,486,467.827,3.603,5,0.369,0.64,0.998,0.6383986704132685,0.6470255637036529,0.632478925364951,0.5869799876636282,0.6262207867863752
EOS-4-06711,Cc1cncc(-c2ccc(-c3nnc4cncc(Oc5ncc(Cl)cc5Cl)n34)cn2)n1,QSGMHOWZLAYGEJ-UHFFFAOYSA-N,4,1,0.37,55,85,451.277,4.446,5,0.395,0.67,1.0,0.6685799465423892,0.6810276883010075,0.5031354944829004,0.5517784935919402,0.6011304057295593
EOS-4-06712,OCc1ccc(COc2cncc3nnc(-c4ccnc(-c5ccnc(F)c5)c4)n23)nc1,RNEOSELNXJJSPA-UHFFFAOYSA-N,4,1,0.517,75,183,429.415,2.854,5,0.41,0.76,1.0,0.5000856692481667,0.5282537180453705,0.6699677883626893,0.577573504214927,0.5689701699677884
EOS-4-06713,Fc1ccnc(-c2nnc3cncc(C4CCC(c5cccc(F)c5F)C4)n23)c1,QPCUBHMYBTZTJJ-UHFFFAOYSA-N,4,1,0.402,90,9,395.388,4.655,5,0.507,0.55,0.59,0.309831402919608,0.4296912480296073,0.8763450071962169,0.9387293537111918,0.638649252964156
EOS-4-06714,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4Cl)n23)c1F,YMMXZVZZBDEJRU-UHFFFAOYSA-N,4,1,0.552,37,832,471.88,4.258,5,0.342,0.66,1.0,0.6685885134672058,0.7982917551915565,0.7785021588650538,0.8083921595504078,0.7634436467685559
EOS-4-06715,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nc4Cl)n23)c1F,LPKKRFXLMQZIPN-UHFFFAOYSA-N,4,1,0.458,58,24,466.839,3.591,5,0.35,0.56,0.998,0.8380422863408951,0.8845435542457679,0.5576040024672744,0.6230296072921664,0.7258048625865259
EOS-4-06716,Cc1cccc(-c2nc(C)c(F)cc2-c2nnc3cncc(-c4ncc(F)c(C)n4)n23)n1,BIJSBBMWJPTWDL-UHFFFAOYSA-N,4,1,0.282,50,155,430.422,3.909,5,0.428,0.67,0.971,0.3396357343567953,0.3878846549242684,0.29644986635597287,0.29385408813652253,0.32945608594338976
EOS-4-06717,Cc1ccc(-c2nnc3cncc(OCc4nncn4-c4ccc(F)cc4F)n23)c(F)n1,LUJQEFKXECGIEJ-UHFFFAOYSA-N,4,1,0.432,34,612,438.373,3.072,5,0.389,0.64,1.0,0.41413371256253856,0.5010965663765334,0.5900555136728121,0.617315468439449,0.5306503152628332
EOS-4-06718,N#Cc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,YSHHEAVWFRMTBQ-UHFFFAOYSA-N,4,1,0.533,15,632,454.881,3.79,5,0.38,0.7,1.0,0.9545952984716606,0.9338719073401411,0.5900640805976287,0.6018778699198136,0.770102289082311
EOS-4-06719,Cc1ncccc1COc1cncc2nnc(-c3ccnc(-c4cc(F)ncn4)c3)n12,RJBKRMDXPAMFLI-UHFFFAOYSA-N,4,1,0.457,24,486,414.404,3.065,5,0.404,0.71,1.0,0.7414673428825989,0.5994534301966966,0.4511685285449935,0.3602049208416147,0.538073555616476
EOS-4-06720,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)cc2F)nc1,YNCSJCAOKMEEJC-UHFFFAOYSA-N,4,1,0.517,37,325,432.394,2.938,5,0.403,0.72,1.0,0.8962802412446028,0.8735778904804331,0.4403142348022754,0.45860461928586116,0.6671942464532931
EOS-4-06721,N#Cc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1cn[nH]c1,QTACAICUYACWEZ-UHFFFAOYSA-N,4,1,0.543,35,626,426.415,3.209,5,0.414,0.63,1.0,0.9402114317044754,0.8735864574052498,0.8021811390583237,0.759672058118018,0.8439127715715167
EOS-4-06722,COc1ccc(COc2cncc3nnc(-c4ccc(-c5ccnnc5)c(C#N)c4)n23)c(F)n1,RXCUJAWNWQEYJC-UHFFFAOYSA-N,4,1,0.467,72,202,454.425,3.242,5,0.356,0.59,1.0,0.8496504694674799,0.7815091494757042,0.7645552052635186,0.6347662942910013,0.757620279624426
EOS-4-06723,O=C(NC1CC1)c1ccc(-c2nnc3cncc(-c4ccc(C(F)=C(F)F)cc4)n23)c(F)c1,NLGGQZCLMIALEZ-UHFFFAOYSA-N,4,1,0.374,0,999,453.399,5.024,5,0.431,0.89,1.0,0.35114111438558016,0.5419179631279556,0.8815451305599342,0.8828987046809678,0.6643757281886095
EOS-4-06724,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)nnc1Cl,DGRFLLSIXWAWGI-UHFFFAOYSA-N,4,1,0.549,24,912,434.822,3.41,5,0.414,0.67,1.0,0.6592419984922212,0.6417397710917689,0.48254917414844767,0.5252724282091701,0.577200842985402
EOS-4-06725,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1)N1CCCCCC1,AGTGCIKRISPBFQ-UHFFFAOYSA-N,4,1,0.679,0,345,478.503,4.395,5,0.409,0.88,1.0,0.3175502021794257,0.3348382564594613,0.013081694195051743,0.11880611335754918,0.196069066547872
EOS-4-06726,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cccc(OC(F)F)n4)n23)cc1F,YYRGEAMGPMNESY-UHFFFAOYSA-N,4,1,0.333,0,188,440.385,3.486,5,0.493,0.85,0.975,0.47266294291001304,0.5468353779727229,0.6239891028716332,0.67523644712494,0.5796809677198274
EOS-4-06727,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cnc(=N)[nH]c1,GCSVPNLYFORRJV-UHFFFAOYSA-N,4,1,0.474,35,103,458.457,2.825,5,0.359,0.61,1.0,0.7906843259543554,0.6617606743883215,0.557612569392091,0.3953378795147694,0.6013488623123844
EOS-4-06728,CCn1c(-c2c(F)cncc2OC)cnc1-c1cncc2nnc(-c3ccc(C(F)(F)F)nn3)n12,IHRKCWCDQQCSAS-UHFFFAOYSA-N,4,1,0.266,50,542,485.405,3.693,5,0.347,0.47,0.377,0.3071156877527243,0.42522788020012336,0.678149201562607,0.5386368309231718,0.4872824001096566
EOS-4-06729,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccc(Cl)nn4)nc3F)n12,VJEIYIFKGXYCKE-UHFFFAOYSA-N,4,1,0.479,58,24,466.839,3.591,5,0.35,0.57,0.998,0.8560413953807141,0.922169488040573,0.49615345075731615,0.5713196490987595,0.7114209958193407
EOS-4-06730,N#Cc1cc(-c2ccccc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,CEBNDTPIMBWXHI-UHFFFAOYSA-N,4,1,0.466,1,418,439.866,4.352,5,0.401,0.71,1.0,0.7793502844219039,0.8363974367760949,0.7597577273661846,0.8042200671646905,0.7949313789322185
EOS-4-06731,Fc1cncc(F)c1COc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,ODXGLHUFZMYXIO-UHFFFAOYSA-N,4,1,0.5,55,980,423.408,3.562,5,0.427,0.72,1.0,0.7707662257556027,0.7058974710437941,0.6449780686724693,0.6259252278802001,0.6868917483380165
EOS-4-06732,Fc1cnccc1OCc1cncc2nnc(-c3ccc(-c4cnc(Cl)cn4)nn3)n12,DVZIETSCOWVGSH-UHFFFAOYSA-N,4,1,0.323,54,920,435.81,2.805,5,0.41,0.6,1.0,0.5382855870056884,0.5237218148173531,0.37446028373654994,0.4271383044342403,0.4659014974984579
EOS-4-06733,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cccnc1,TYHJKQCCJXJHPG-UHFFFAOYSA-N,4,1,0.544,35,103,458.909,4.532,5,0.331,0.73,1.0,0.9089678568980879,0.8469518881502296,0.7410389966417654,0.672297991912823,0.7923141834007265
EOS-4-06734,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nn4)n23)c1F,MEAMOTLGXMRVRL-UHFFFAOYSA-N,4,1,0.416,54,775,453.8,2.944,5,0.396,0.53,0.668,0.6212134192310328,0.6714155986567062,0.4003323966828867,0.4890771708587485,0.5455096463573436
EOS-4-06735,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(-c5cccnn5)cnn4)n23)n1,MCTZESSKMWIDBJ-UHFFFAOYSA-N,4,1,0.385,53,511,420.343,1.685,5,0.387,0.61,0.999,0.5407956959769721,0.44293571379617575,0.2167603317113289,0.23760365979028167,0.3595238503186896
EOS-4-06736,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cc(F)ccn5)nc4)n23)c(F)c1F,XYOGCZLGPWULJF-UHFFFAOYSA-N,4,1,0.324,96,26,461.407,3.692,5,0.438,0.76,1.0,0.2747241450209033,0.3971883352751696,0.8124957165375917,0.7745014049756699,0.5647274004523336
EOS-4-06737,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cc5ccncc5nn4)nc3)n12,DMACOYRCXQUCGB-UHFFFAOYSA-N,4,1,0.456,6,904,465.452,3.347,6,0.365,0.59,1.0,0.8607874717291482,0.9017288054280036,0.465106915221712,0.4680368035090124,0.6739149989719689
EOS-4-06738,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)nc1,BVYGKHLFUUQPLY-UHFFFAOYSA-N,4,1,0.553,4,850,429.44,3.9,5,0.417,0.73,1.0,0.6958913028579261,0.7901960112398053,0.7573675553423344,0.7308786238091974,0.7435833733123157
EOS-4-06739,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ncccc5F)n34)ccc2F)nc1,QIYMAEXHEOEZBS-UHFFFAOYSA-N,4,1,0.517,37,509,445.433,3.851,5,0.392,0.76,1.0,0.9281920361866904,0.914793365773422,0.5576211363169077,0.5517870605167569,0.7380983996984443
EOS-4-06740,COc1cc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cc4)n23)ccc1-c1cnnn1C,MTOYJTBKZGYZTR-UHFFFAOYSA-N,4,1,0.529,43,713,497.437,4.073,5,0.332,0.67,1.0,0.6071893633061476,0.5653399355767253,0.9393461722979919,0.82494345829621,0.7342047323692688
EOS-4-06741,N#Cc1cccc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)n5)n34)ccn2)n1,KMALJBVFLUQWME-UHFFFAOYSA-N,4,1,0.479,75,583,439.414,2.671,5,0.367,0.62,1.0,0.8607960386539648,0.7730792954561031,0.3818792406277843,0.337785278596395,0.5883849633335618
EOS-4-06742,COc1cc(-c2nnc3cncc(OCc4cccnc4Cl)n23)ccc1-c1ncccn1,LXFJLVMBBMBJQL-UHFFFAOYSA-N,4,1,0.477,97,300,445.87,3.884,5,0.363,0.68,1.0,0.8993986018778699,0.7335343705023645,0.5642690699746419,0.47991912822973065,0.6692802926461517
EOS-4-06743,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1C#N,DDTPYZKWAUMRRL-UHFFFAOYSA-N,4,1,0.684,43,96,443.417,3.921,5,0.409,0.69,1.0,0.7963813309574396,0.742855184702899,0.9329980810088411,0.9053269138510041,0.8443903776300459
EOS-4-06744,Clc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5)n34)ccn2)nc1,BOIBNDDGSXAYHT-UHFFFAOYSA-N,4,1,0.605,75,420,430.859,3.313,5,0.404,0.71,1.0,0.7990542115002399,0.7428637516277157,0.3402182852443287,0.36363169076828183,0.5614419847851415
EOS-4-06745,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3ccc(F)c(F)n3)n12,XHMQDMOEYDEAAW-UHFFFAOYSA-N,4,1,0.478,47,164,438.373,3.01,5,0.406,0.69,1.0,0.8779984236858337,0.8533256802138305,0.6810362552258241,0.6693938043999725,0.7704385408813652
EOS-4-06746,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cc4F)n23)c(F)c1F,FMLFOVJIQYFBPZ-UHFFFAOYSA-N,4,1,0.306,45,26,462.395,3.087,5,0.437,0.66,1.0,0.2994568569666233,0.3543194434925639,0.7956274415735728,0.7570163114248509,0.5516050133644027
EOS-4-06747,Cc1nc(-c2ccc(-c3nnc4cncc(COCCc5ccc(F)c(F)c5)n34)c(Cl)c2)cs1,VAFLAVWLVAPARD-UHFFFAOYSA-N,4,1,0.469,14,358,497.958,5.914,5,0.261,0.76,1.0,0.5332311013638544,0.5994619971215133,0.8970169967788363,0.9016774038791036,0.7328468747858268
EOS-4-06748,Fc1nccc(CCOc2cncc3nnc(-c4cc(-c5cncs5)ncc4Cl)n23)c1F,MXZXQFMAQIUZJQ-UHFFFAOYSA-N,4,1,0.517,35,698,471.88,4.258,5,0.342,0.64,1.0,0.7851672263724213,0.8765848810910836,0.7204698101569461,0.7416215475292989,0.7809608662874374
EOS-4-06749,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4Cl)n23)cc(F)n1,LBBHPRQDEDAACJ-UHFFFAOYSA-N,4,1,0.59,37,6,455.816,2.92,5,0.388,0.66,1.0,0.8780069906106504,0.8871564663148516,0.6355116167500514,0.6783376739085738,0.7697531868960318
EOS-4-06750,Cn1ccnc1-c1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ncn1,KZVIAIAPNNGWBS-UHFFFAOYSA-N,4,1,0.371,46,971,440.801,3.706,5,0.42,0.6,0.999,0.5537488862997738,0.5011051333013501,0.647745185388253,0.6723065588376397,0.5937264409567542
EOS-4-06751,Cn1c(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)nnc1C(F)F,LRVKHDAVHQRVJX-UHFFFAOYSA-N,4,1,0.532,68,404,416.779,2.961,4,0.492,0.66,1.0,0.6184463025152491,0.802532382975807,0.5576297032417243,0.605090466726064,0.6459247138647112
EOS-4-06752,O=C(NC1CC(F)(F)C1)c1ccc(-c2nnc3cncc(-c4cncs4)n23)cc1F,ZMEJTWLFBKLVJN-UHFFFAOYSA-N,4,1,0.333,63,688,430.415,3.581,5,0.535,0.7,1.0,0.1763587142759235,0.279864299910904,0.7892707833596052,0.7955589061750394,0.510263175930368
EOS-4-06753,COc1ncc(-c2nnc3cncc(-c4ccc(OCc5cccc(F)n5)cn4)n23)cc1F,UDXGALBALIQWRC-UHFFFAOYSA-N,4,1,0.333,82,155,447.405,3.509,5,0.365,0.82,1.0,0.5755260091837434,0.6417483380165856,0.6355201836748681,0.5186330614762524,0.5928568980878623
EOS-4-06754,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)ncc1F,UGADBPSUAUMUQZ-UHFFFAOYSA-N,4,1,0.494,4,208,466.839,3.857,5,0.384,0.67,1.0,0.8780155575354671,0.8765934480159002,0.5933280789527791,0.6082259612089644,0.7390407614282777
EOS-4-06755,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc5c(Cl)cN(CC(F)C4)C5=O)n23)cc1F,QAFCWZXTUQTDDE-UHFFFAOYSA-N,4,1,0.378,78,792,482.878,3.264,5,0.618,0.53,0.099,0.3222191762045096,0.4022256870673703,0.39290487286683573,0.38281303543280104,0.37504069289287917
EOS-4-06756,COc1cc(-c2nnc3cncc(CCc4ncc(Cl)cn4)n23)ccc1-c1cncnc1,SRZDAHOUGUJNCB-UHFFFAOYSA-N,4,1,0.404,51,172,444.886,3.486,5,0.392,0.68,1.0,0.6071979302309642,0.45625728188609416,0.3257658830786101,0.3314114865327942,0.43015814543211567
EOS-4-06757,COc1cc(-c2nnc3cncc(Cc4ccc(Cl)nn4)n23)ccc1-c1ccncc1,PTADOBMSGJZYPQ-UHFFFAOYSA-N,4,1,0.366,14,257,429.871,3.896,5,0.418,0.73,1.0,0.44407511479679257,0.3496162017682133,0.5711054759783428,0.5648087862380919,0.4824013946953602
EOS-4-06758,CS(=O)(=O)c1cnc(-c2cncc3nnc(-c4ncncc4-c4ccc(F)c(F)c4)n23)nc1,KGSUMWXSDRKWFM-UHFFFAOYSA-N,4,1,0.314,50,978,466.433,2.387,5,0.392,0.75,0.134,0.23495648002193134,0.3398156397779453,0.34405626756219587,0.442695839901309,0.3403810568158454
EOS-4-06759,NCc1ccccc1COc1cncc2nnc(-c3ccc(Cl)c(-c4nc[nH]n4)c3)n12,MYAUBVOGOUSXFN-UHFFFAOYSA-N,4,1,0.511,43,521,432.875,3.268,5,0.422,0.62,0.998,0.7381862106778151,0.6229696388184497,0.5900726475224454,0.5989993831814132,0.6375569700500309
EOS-4-06760,Fc1cccc(CCOc2cncc3nnc(-c4cnc(-c5ccccn5)cn4)n23)c1,VMEXKEQGSKVWKT-UHFFFAOYSA-N,4,1,0.554,24,159,413.416,3.404,5,0.421,0.79,1.0,0.7204783770817628,0.6810362552258241,0.45827907614282776,0.4861644164210815,0.5864895312178741
EOS-4-06761,FCc1nnc(-c2ccc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cn2)o1,HYPZOMHBBFDMGF-UHFFFAOYSA-N,4,1,0.353,85,476,438.373,3.629,5,0.396,0.69,0.865,0.2830940305667877,0.3639829346857652,0.4651154821465287,0.4237972037557398,0.38399741278870536
EOS-4-06762,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cc(F)cc(C#N)c4)n23)cc1F,PBZZXBGMMNTLBP-UHFFFAOYSA-N,4,1,0.438,66,678,419.395,2.913,4,0.515,0.86,1.0,0.365096634911932,0.37844390377630044,0.7979747789733397,0.7175484887944623,0.5647659516140087
EOS-4-06763,Cc1cnc(-c2cc(F)c(-c3nnc4cncc(OCCc5ccncc5Cl)n34)cn2)cn1,NDVSLFRROJYQMN-UHFFFAOYSA-N,4,1,0.511,65,904,462.876,3.761,5,0.375,0.6,1.0,0.8204115550681927,0.8501045164827633,0.5376944691933384,0.5484630936878898,0.6891684086080461
EOS-4-06764,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cncs5)n34)cc(Cl)n2)cc1,FFXBBKLTVBNTRX-UHFFFAOYSA-N,4,1,0.605,11,201,452.902,4.724,5,0.347,0.64,1.0,0.907468645055171,0.9239599753272565,0.667192104722089,0.7416301144541155,0.810062709889658
EOS-4-06765,Fc1cc(F)cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)c1,TWUHKEQQWZTLLZ-UHFFFAOYSA-N,4,1,0.645,91,781,436.447,4.21,5,0.397,0.72,1.0,0.7080563360975944,0.8025409499006236,0.7914467822630389,0.797734905078473,0.7749447433349326
EOS-4-06766,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)c4F)n23)cc1,MUERNNKJSUWJJS-UHFFFAOYSA-N,4,1,0.542,43,178,443.417,3.921,5,0.409,0.68,1.0,0.8380508532657117,0.7428723185525323,0.9248338016585567,0.8814680282365842,0.8468062504283461
EOS-4-06767,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)nn1,DAFRSQVUHVTKNQ-UHFFFAOYSA-N,4,1,0.581,37,626,462.42,2.947,5,0.337,0.66,1.0,0.9351740799122746,0.8951065725447194,0.49969159070659996,0.4334178603248578,0.690847525872113
EOS-4-06769,Fc1cnc(-c2nc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccc2F)nc1,GFIZMWBYUPOCHL-UHFFFAOYSA-N,4,1,0.398,46,775,453.8,2.944,5,0.396,0.62,1.0,0.6323161537934343,0.6470341306284696,0.3148259200877253,0.4111352888767048,0.5013278733465835
EOS-4-06770,Cc1nc(COc2cncc3nnc(-c4cncc(-c5cncc(F)c5)c4)n23)ncc1F,QRXRTVNECSPPDL-UHFFFAOYSA-N,4,1,0.422,2,419,432.394,3.204,5,0.417,0.66,1.0,0.6809420190528408,0.6139058323624151,0.5069392091015009,0.4952881913508327,0.5742688129668974
EOS-4-06771,Fc1ncccc1-c1cnc(-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)cn1,AWKLUKYJARCSPJ-UHFFFAOYSA-N,4,1,0.418,51,48,449.837,2.847,5,0.36,0.58,0.999,0.6897916523884586,0.7010143238982934,0.21676889863614557,0.29088993214995545,0.4746162017682133
EOS-4-06772,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cccc(Cl)n1,SDGGQGYUXZHIED-UHFFFAOYSA-N,4,1,0.545,11,777,458.909,4.532,5,0.331,0.78,1.0,0.9162925776163389,0.8102768830100747,0.6756133918168734,0.6113785895414982,0.7533903604961962
EOS-4-06773,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)ccn1,RRJPORBMZOKPPR-UHFFFAOYSA-N,4,1,0.562,75,324,414.404,2.799,5,0.391,0.64,1.0,0.7651206223014186,0.7196730861489959,0.45117709546981016,0.4042988828730039,0.5850674216983072
EOS-4-06774,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)nc4Cl)n23)c1F,ADIYRHCOMOWQAZ-UHFFFAOYSA-N,4,1,0.529,35,143,471.88,4.258,5,0.342,0.52,1.0,0.7017510794325269,0.8469604550750462,0.707370982112261,0.7337142759235145,0.7474491981358371
EOS-4-06775,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)ncc1F,WZHCAQIJVKIBKH-UHFFFAOYSA-N,4,1,0.478,4,208,466.839,3.857,5,0.384,0.7,1.0,0.8448701254197793,0.8818107052292509,0.590081214447262,0.6050990336508807,0.7304652696867933
EOS-4-06776,Fc1cccnc1CCOc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,GGZRFHYTCOYYCN-UHFFFAOYSA-N,4,1,0.548,75,699,413.416,3.404,5,0.421,0.73,1.0,0.6927215406757591,0.6567147556713042,0.4961620176821328,0.49216983071756565,0.5844420361866904
EOS-4-06777,COc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,XKIWSTNGSMEBEF-UHFFFAOYSA-N,4,1,0.557,35,729,443.442,3.413,5,0.353,0.72,1.0,0.8927249674456857,0.6810448221506408,0.5342676992666713,0.4077941881982044,0.6289579192653005
EOS-4-06778,N#Cc1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1-c1nnco1,GCFQIDBYOFBSID-UHFFFAOYSA-N,4,1,0.483,16,256,414.36,2.826,5,0.426,0.66,0.999,0.8979165238845864,0.7428808854773491,0.6998235213487767,0.6465715166883695,0.7467981118497705
EOS-4-06779,Fc1cnc(-c2ccc(-c3nnc4cncc(Cc5cnc(Cl)nn5)n34)cn2)cn1,ILBZYRUHAVPJNL-UHFFFAOYSA-N,4,1,0.358,85,674,420.799,2.212,5,0.43,0.65,1.0,0.30712425467754095,0.3737235282023165,0.17630731272702352,0.25530292646151737,0.2781145055170996
EOS-4-06780,N#Cc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,VCSBSMITZWWZTN-UHFFFAOYSA-N,4,1,0.505,11,201,443.467,3.942,5,0.366,0.71,0.995,0.8927335343705024,0.8818192721540675,0.6944177917894593,0.6637053663217052,0.7831689911589336
EOS-4-06781,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)c(F)c4)n23)ncn1,PDRVZGVNZLSZAG-UHFFFAOYSA-N,4,1,0.484,37,563,432.394,2.938,5,0.377,0.67,1.0,0.9042817490233706,0.8711106161332328,0.5711140429031595,0.5648173531629086,0.7278309403056678
EOS-4-06782,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccs5)cc4)n23)ccn1,LZMAYHBUMVCWPO-UHFFFAOYSA-N,4,1,0.588,11,201,417.469,4.675,5,0.376,0.78,1.0,0.9603694057980947,0.9483414433554931,0.7459050099376328,0.7280258378452471,0.8456604242341169
EOS-4-06783,Fc1ccnc(F)c1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,OAHHUFLKTFBZTH-UHFFFAOYSA-N,4,1,0.518,58,28,455.425,3.744,5,0.36,0.53,1.0,0.8099427729422246,0.8735950243300665,0.5511788088547734,0.5648259200877254,0.6998856315536975
EOS-4-06784,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)c(F)c1,HJBHFBPVAQQDFO-UHFFFAOYSA-N,4,1,0.483,16,79,438.373,2.978,5,0.389,0.64,1.0,0.6295319032280172,0.6187204441093825,0.757376122267151,0.7364471249400315,0.6855188986361456
EOS-4-06785,CCn1cc(Cc2cncc3nnc(-c4ccc(C)cc4)n23)c(OCc2ccc(F)c(F)c2)n1,BODCNUROAFHAIQ-UHFFFAOYSA-N,4,1,0.478,14,646,460.488,4.764,5,0.35,0.78,0.999,0.46996436159276267,0.5057312727023507,0.7023250633952437,0.6521914193681037,0.5825530292646152
EOS-4-06786,N#Cc1cc(-c2nnc3cncc(OCc4ccc(CF)nc4)n23)ccc1-c1cccnn1,BJEXUQKFZMGJIF-UHFFFAOYSA-N,4,1,0.545,72,214,438.426,3.563,5,0.395,0.74,1.0,0.7080649030224111,0.5901754506202453,0.7048351723665273,0.6319220752518676,0.6587494003152629
EOS-4-06787,COc1cc(-c2nnc3cncc(CNCc4ccc(Cl)cc4F)n23)ccc1-c1cscn1,GOZALZRSVDHAOX-UHFFFAOYSA-N,4,1,0.39,14,257,480.956,5.006,5,0.353,0.79,1.0,0.4699729285175793,0.48714104585018164,0.8195291618120759,0.7886196970735385,0.6413157083133438
EOS-4-06788,N#Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5nnco5)c4)n23)ccc1F,LEZSSXKJEVDXDB-UHFFFAOYSA-N,4,1,0.489,4,702,432.35,2.965,5,0.412,0.73,1.0,0.8204201219930094,0.7644095675416352,0.6944263587142759,0.6549499691590707,0.7335515043519978
EOS-4-06789,Fc1cnccc1COc1cncc2nnc(-c3ccnc(-c4ccncn4)c3)n12,HVKUFMDQZYLBNH-UHFFFAOYSA-N,4,1,0.482,75,199,400.377,2.756,5,0.444,0.73,1.0,0.8426427249674456,0.6187290110341992,0.5511873757795902,0.4982951819614831,0.6277135734356795
EOS-4-06790,FC(F)c1ncc(-c2nnc3cncc(OCc4cc(-c5cccnc5)ncn4)n23)cn1,YGUIVGQKLGLCAL-UHFFFAOYSA-N,4,1,0.467,51,354,433.382,2.95,5,0.398,0.61,1.0,0.5306353231444041,0.49659036392296624,0.4328524432869577,0.33456411486532794,0.448660561304914
EOS-4-06791,Fc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ncon1,JVVRYTRYKWEGGK-UHFFFAOYSA-N,4,1,0.55,16,82,423.795,3.608,5,0.422,0.71,1.0,0.8927421012953191,0.7858611472825714,0.6918819820437255,0.7202470701117127,0.7726830751833322
EOS-4-06792,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)ccn2)ncn1,RKPSLQAEDWCNDS-UHFFFAOYSA-N,4,1,0.474,75,819,449.837,2.847,5,0.285,0.65,1.0,0.8075183332191077,0.7689072030703858,0.3367315468439449,0.35060996504694675,0.5659417620450964
EOS-4-06793,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)ccn2)cn1,YWKQPHCGKRJHJC-UHFFFAOYSA-N,4,1,0.547,4,43,431.406,3.809,5,0.391,0.73,1.0,0.5728959632650263,0.6187375779590158,0.7282057432663971,0.6637139332465218,0.6458883044342403
EOS-4-06794,Cc1ncc(F)c(COc2cncc3nnc(-c4cc(F)nc(-c5ccccn5)c4)n23)n1,IURJJEUPKMJKEH-UHFFFAOYSA-N,4,1,0.489,24,486,432.394,3.204,5,0.39,0.7,0.999,0.6868360633267082,0.5853008703995614,0.3966657528613529,0.3733979850592831,0.5105501679117264
EOS-4-06795,CC(F)(F)c1ncc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,SKZOEFMXEKFCSV-UHFFFAOYSA-N,4,1,0.317,63,688,439.401,3.391,5,0.512,0.87,1.0,0.22089815639777946,0.33484682338427796,0.492778082379549,0.4554005894044274,0.3759809128915085
EOS-4-06796,Fc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1ccccn1,WGQSLJKNNJDCJA-UHFFFAOYSA-N,4,1,0.517,35,846,413.416,3.404,5,0.421,0.69,1.0,0.8608046055787815,0.8681978616955658,0.5101775066822014,0.515497566993352,0.6886693852374751
EOS-4-06797,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cc(F)ncn1,IMUKVUKLQUJVIQ-UHFFFAOYSA-N,4,1,0.516,35,777,443.442,3.413,5,0.353,0.7,1.0,0.9074772119799877,0.7600918374340346,0.5965406757590296,0.464695702830512,0.6822013570008909
EOS-4-06799,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1F,WAFXTJDDBVBVQE-UHFFFAOYSA-N,4,1,0.536,34,607,437.385,3.583,5,0.418,0.68,1.0,0.8426512918922624,0.7730878623809198,0.8535912548831471,0.8410492769515455,0.8275949215269688
EOS-4-06800,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c1,PXAOPKQHFYKQKX-UHFFFAOYSA-N,4,1,0.506,58,28,455.425,3.744,5,0.36,0.6,1.0,0.8354293742718114,0.8818278390788843,0.5642776368994585,0.5682184223151258,0.7124383181413201
EOS-4-06802,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)cc1F,JPLNLMGUEZIEBP-UHFFFAOYSA-N,4,1,0.65,90,281,394.797,3.472,4,0.481,0.74,1.0,0.9568569666232609,0.9810328284558975,0.9078370228222877,0.9086594476046879,0.9385965663765334
EOS-4-06803,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)nc4Cl)n23)c1F,QUISFWWUXFTWCB-UHFFFAOYSA-N,4,1,0.478,58,28,455.812,3.789,5,0.356,0.56,1.0,0.7534353368514838,0.7196816530738126,0.547889109725173,0.5961208964430128,0.6542817490233706
EOS-4-06804,Fc1cnc(F)c(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c1,YIRDIEOGCWTJIL-UHFFFAOYSA-N,4,1,0.482,24,786,423.408,3.562,5,0.399,0.67,1.0,0.7765317661572202,0.7335429374271811,0.6295490370776506,0.5990079501062299,0.6846579226920705
EOS-4-06805,Fc1cc(-c2css2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,LLQKCSGVLNLNTR-UHFFFAOYSA-N,4,1,0.636,37,619,423.498,4.737,5,0.369,0.73,1.0,0.8354379411966281,0.862389486669865,0.6062041669522308,0.6145055170995819,0.7296342779795764
EOS-4-06806,Fc1cc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)ccc1-c1ncsn1,NHVIZOQDRSDMLM-UHFFFAOYSA-N,4,1,0.524,73,526,441.398,3.701,5,0.411,0.64,1.0,0.732514906449181,0.7730964293057364,0.7382890137756151,0.751884723459667,0.7489462682475498
EOS-4-06807,N#Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)c1,RLBOAQHBGZKTEU-UHFFFAOYSA-N,4,1,0.432,54,691,424.399,3.233,5,0.422,0.7,1.0,0.7793588513467206,0.6761102734562402,0.6505894044273868,0.657699952025221,0.6909396203138921
EOS-4-06808,CCc1cc(-c2nnc3cncc(-c4ccc(Oc5cnc(F)cn5)cn4)n23)ccc1C,CGKNOPBGWYTFKT-UHFFFAOYSA-N,4,1,0.365,74,274,427.443,4.446,5,0.409,0.69,1.0,0.5433914741964224,0.6323932561167843,0.615045233363032,0.4799276951545473,0.5676894147076965
EOS-4-06809,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc(Cl)c1Cl,NQBQAKLHKHKWBC-UHFFFAOYSA-N,4,1,0.353,0,188,467.291,4.668,5,0.471,0.86,1.0,0.3767305188129669,0.5098433966143513,0.8653707765060654,0.9335206634226578,0.6713663388390103
EOS-4-06810,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)ccc1F,UVOMMKVIYNSIHP-UHFFFAOYSA-N,4,1,0.483,4,911,452.4,3.638,5,0.388,0.6,1.0,0.5673959975327256,0.6520629154958536,0.8040487286683572,0.717557055719279,0.6852661743540538
EOS-4-06811,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)c5ncon5)cn4)n23)c(F)c1,SIQBTMFKCJIREZ-UHFFFAOYSA-N,4,1,0.358,74,155,466.383,2.875,5,0.419,0.74,0.997,0.3222277431293263,0.3299808100884107,0.8021897059831403,0.6145140840243986,0.517228085806319
EOS-4-06812,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4C#N)n23)ccc1F,BQHCMGXZYHGMQV-UHFFFAOYSA-N,4,1,0.478,4,702,454.45,3.771,5,0.393,0.63,1.0,0.717145843328079,0.7560996504694675,0.642048180385169,0.6018864368446303,0.6792950277568364
EOS-4-06813,NC(=O)c1ccc(-c2nnc3cncc(OCc4cc(-c5cccc(F)c5)ncn4)n23)cc1F,DVAZXWRAFVBRGW-UHFFFAOYSA-N,4,1,0.495,1,675,459.416,3.204,5,0.414,0.76,1.0,0.7140531834692618,0.42523644712494,0.6918905489685423,0.6465800836131862,0.6194400657939826
EOS-4-06814,Cc1nc(-c2ccc(-c3nnc4cncc(CNc5cc(F)ccc5F)n34)c(F)c2)no1,OGEODYHTIBVCOT-UHFFFAOYSA-N,4,1,0.329,14,291,437.385,4.179,5,0.441,0.79,1.0,0.30983996984442463,0.39719690219998627,0.7459135768624494,0.7364556918648482,0.5473515351929271
EOS-4-06815,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)cc1,ORWSRJBRDHWZEP-UHFFFAOYSA-N,4,1,0.325,39,543,466.415,3.441,6,0.385,0.58,0.907,0.234965046946748,0.32556884380782675,0.4511856623946268,0.5453790007538893,0.3892746384757727
EOS-4-06816,COCC1CCCN1C(=O)c1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,NCMBBFSNWZJLEK-UHFFFAOYSA-N,4,1,0.392,0,345,479.943,4.426,5,0.409,0.77,1.0,0.2512250702487835,0.397205469124803,0.25981769583990133,0.5354499348913714,0.3609245425262148
EOS-4-06817,Cc1nccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)c(F)n2)n1,CMERCZMTRGDLBW-UHFFFAOYSA-N,4,1,0.489,58,271,462.876,3.761,5,0.351,0.64,1.0,0.8695771365910493,0.8897265437598519,0.4790196011239805,0.479936262079364,0.6795648858885615
EOS-4-06818,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(-c5cnccn5)c(F)c4)n23)cc1F,MKZBSHWXRDIPDZ-UHFFFAOYSA-N,4,1,0.386,14,291,458.432,3.238,5,0.4,0.81,1.0,0.29692961414570623,0.2335772051264478,0.6592077307929546,0.5840500993763279,0.44344116236035913
EOS-4-06819,Cc1nc(-c2cc(F)ccn2)ccc1-c1nnc2cncc(OCCc3cnccc3F)n12,YWNNGFPCUGYXKL-UHFFFAOYSA-N,4,1,0.506,58,583,445.433,3.851,5,0.392,0.67,0.991,0.869585703515866,0.790204578164622,0.6180693578233157,0.6082345281337811,0.7215235419093962
EOS-4-06820,Fc1cc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c(F)cn1,XOXBXIUNZXWTBL-UHFFFAOYSA-N,4,1,0.471,24,786,423.408,3.562,5,0.399,0.63,1.0,0.7765403330820368,0.7335515043519978,0.6672006716469057,0.6319306421766843,0.7023057878144062
EOS-4-06821,Cc1ncccc1COc1cncc2nnc(-c3ccnc(-c4ccc(F)nc4)c3)n12,SWZCOTDKORIDME-UHFFFAOYSA-N,4,1,0.483,97,525,413.416,3.67,5,0.406,0.79,1.0,0.7680933452128024,0.6761188403810569,0.6180779247481324,0.5322801727092044,0.648642570762799
EOS-4-06822,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4Cl)n23)cc1,SBDQRNCCVGEPBO-UHFFFAOYSA-N,4,1,0.679,48,378,425.851,3.565,4,0.51,0.84,1.0,0.865173737235282,0.6810533890754574,0.7808666301144541,0.7202556370365294,0.7618373483654308
EOS-4-06823,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(Br)cc4F)n23)cc1,MIJSJAZYSPYSOI-UHFFFAOYSA-N,4,1,0.578,48,378,470.302,4.022,4,0.461,0.85,1.0,0.9074857789048043,0.590184017545062,0.7204783770817628,0.6145226509492153,0.7081677061202111
EOS-4-06824,Fc1ncc(-c2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)nn1,XHSNSRVRHCNWPO-UHFFFAOYSA-N,4,1,0.585,37,563,448.849,3.452,5,0.389,0.61,1.0,0.9466366253169762,0.9717462819546295,0.5138612843533685,0.5616218902062915,0.7484665204578165
EOS-4-06825,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3cnnc(Cl)c3)n12,MWPMXGHRLCODNU-UHFFFAOYSA-N,4,1,0.467,47,164,423.799,2.738,5,0.458,0.68,1.0,0.8099513398670414,0.8025495168254403,0.5175450620245357,0.5517956274415736,0.6704603865396477
EOS-4-06826,CC(F)(F)c1ncc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)cn1,RVXZNDNFQNLIRI-UHFFFAOYSA-N,4,1,0.548,68,811,401.352,2.849,4,0.491,0.76,1.0,0.7048865739154273,0.7983003221163731,0.6150538002878487,0.4427044068261257,0.6402362757864437
EOS-4-06827,Cn1ncc(-c2cc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2Cl)n1,FPWUWQXXXRHNEE-UHFFFAOYSA-N,4,1,0.36,85,476,452.856,4.164,5,0.398,0.68,0.702,0.2885854293742718,0.402234253992187,0.8195377287368926,0.79992803783154,0.5775713624837229
EOS-4-06828,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)nc1,PJJOFPJSJSFXNJ-UHFFFAOYSA-N,4,1,0.583,75,583,427.443,3.712,5,0.408,0.67,1.0,0.847251730518813,0.6910338564868754,0.5711226098279761,0.5053029264615174,0.6536777808237955
EOS-4-06829,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)ccn1,GSLPLQNJUOCGBV-UHFFFAOYSA-N,4,1,0.371,24,920,423.408,3.562,5,0.399,0.65,1.0,0.4777773970255637,0.585309437324378,0.5642862038242752,0.545387567678706,0.5431901514632308
EOS-4-06830,COc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2OC)cn1,GFLXDXAVMLUQMZ-UHFFFAOYSA-N,4,1,0.533,35,982,472.48,4.026,5,0.334,0.74,1.0,0.8560499623055308,0.7815177164005209,0.7307415530121307,0.535458501816188,0.7259419333835926
EOS-4-06831,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)cc1F,RHIUXJXOGINWAH-UHFFFAOYSA-N,4,1,0.477,51,196,448.849,3.718,5,0.4,0.59,1.0,0.7171544102528956,0.6957370982112261,0.5138698512781852,0.5084812555685011,0.6088106538277019
EOS-4-06832,COc1ncc(F)cc1COc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,MMWLUCMLYIQWEE-UHFFFAOYSA-N,4,1,0.461,55,930,464.848,3.418,5,0.373,0.71,1.0,0.8231444040847098,0.8296552669453773,0.4142279487355219,0.3636402576930985,0.6076669693646769
EOS-4-06833,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cncnc5)c4)n23)cc1F,GGXMVUOZUGBQBK-UHFFFAOYSA-N,4,1,0.33,96,648,443.417,3.553,5,0.456,0.86,1.0,0.2914296484134055,0.26433246521828524,0.8081265848810911,0.7697981632513193,0.5334217154410253
EOS-4-06834,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)c1,GFWCJAKZCLGAIM-UHFFFAOYSA-N,4,1,0.506,58,28,471.88,4.258,5,0.342,0.58,1.0,0.8584572681790145,0.892613597423069,0.6265848810910836,0.6752450140497567,0.763225190185731
EOS-4-06835,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,AHUKQDPPDQDNFL-UHFFFAOYSA-N,4,1,0.512,58,28,471.88,4.258,5,0.342,0.62,1.0,0.8496590363922967,0.8682064286203824,0.6781577684874237,0.7175656226440956,0.7783972140360496
EOS-4-06837,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)nc4Cl)n23)c1F,XDWPUUCMKQTMRV-UHFFFAOYSA-N,4,1,0.495,58,271,456.8,3.184,5,0.355,0.57,0.987,0.7590895072304845,0.7689157699952025,0.5206891234322527,0.555188129668974,0.6509706325817285
EOS-4-06838,COCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cc1,DIOXIAFJZQENEH-UHFFFAOYSA-N,4,1,0.568,90,385,413.84,3.747,4,0.429,0.74,1.0,0.9431498869165924,0.9276951545473237,0.7853299979439381,0.7493660475635666,0.8513852717428552
EOS-4-06839,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c1,SBBQDFUAZASEKQ-UHFFFAOYSA-N,4,1,0.518,24,28,441.398,3.701,5,0.384,0.66,1.0,0.6014666575286135,0.7815262833253376,0.5933366458775958,0.5990165170310465,0.6438365259406483
EOS-4-06840,Fc1cc(-c2nnc3cncc(OCc4cnnc(Cl)c4)n23)ccc1-c1nc[nH]n1,RINWHUJTTLXPRW-UHFFFAOYSA-N,4,1,0.483,47,164,423.799,2.738,5,0.458,0.58,1.0,0.863134809128915,0.8025580837502571,0.5206976903570695,0.5585120964978412,0.6862256699335207
EOS-4-06841,Cc1ccc(-c2nnc3cncc(-c4ncnnc4-c4cc(F)nc(F)c4F)n23)nn1,HFEDAEKFERETNA-UHFFFAOYSA-N,4,1,0.256,53,844,422.334,2.221,5,0.403,0.64,0.011,0.31755876910424236,0.3543280104173806,0.31483448701254196,0.3894524021657186,0.3440434171749709
EOS-4-06842,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c1F,IRCCOFJFSKVUDU-UHFFFAOYSA-N,4,1,0.483,24,28,441.398,3.701,5,0.384,0.62,0.998,0.6837776711671578,0.7815348502501542,0.6029573024467137,0.6113871564663148,0.6699142450825851
EOS-4-06843,CC(=O)c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(C)c4C)n23)cc1F,UUYHKIIPZBFDFO-UHFFFAOYSA-N,4,1,0.29,96,961,438.466,4.874,5,0.372,0.76,1.0,0.30470838187924065,0.2184651497498458,0.5838273593310945,0.501884723459667,0.40222140360496195
EOS-4-06844,Cc1nccc(-c2nnc(NCc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)cc2F)n1,MVGGIHVEQCVFDU-UHFFFAOYSA-N,4,1,0.33,85,243,464.415,3.431,5,0.403,0.66,0.996,0.13283016928243438,0.14178260571585224,0.42562195874169007,0.3409636077033788,0.26029958536083886
EOS-4-06845,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1F,QNMJQBKWECXFAX-UHFFFAOYSA-N,4,1,0.543,90,636,458.856,3.3,4,0.435,0.77,1.0,0.7505054485641834,0.5057398396271674,0.5175536289493523,0.5119936947433349,0.5714481529710095
EOS-4-06846,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(-c5cccnn5)ccn4)n23)n1,ZSJVAMNWADWVGD-UHFFFAOYSA-N,4,1,0.4,46,88,419.355,2.29,5,0.396,0.6,1.0,0.5306438900692207,0.4252450140497567,0.33674011376876156,0.33142005345761083,0.4060122678363375
EOS-4-06847,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5ncccn5)c4)n23)ccn1,QOQKLDQKJFOLSN-UHFFFAOYSA-N,4,1,0.512,65,131,414.404,2.799,5,0.391,0.66,1.0,0.7822459050099376,0.7104979096703448,0.40755431430333766,0.3734065519840998,0.56842617024193
EOS-4-06848,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)c1,UZHKWMCQEIRLCD-UHFFFAOYSA-N,4,1,0.419,54,411,433.382,2.333,5,0.372,0.57,0.812,0.7204869440065794,0.6187461448838325,0.3334247138647111,0.3537368926050305,0.5065986738400384
EOS-4-06849,Clc1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cn1,WPJKZOPXQPUZIN-UHFFFAOYSA-N,4,1,0.571,90,708,417.654,3.576,4,0.472,0.77,1.0,0.5382941539305051,0.85011308340758,0.6239976697964499,0.6752535809745733,0.6719146220272771
EOS-4-06850,CN(C)Cc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,PKPZJQVDXULBLW-UHFFFAOYSA-N,4,1,0.57,90,636,443.338,4.176,4,0.427,0.74,1.0,0.6440699746419025,0.7287197587553972,0.6863563155369748,0.67526214789939,0.6836020492084162
EOS-4-06851,N#Cc1nc(COc2cncc3nnc(-c4nc(-c5ccc(F)c(F)c5)no4)n23)ccc1F,DRBYIRFUOCAKOO-UHFFFAOYSA-N,4,1,0.436,73,702,450.34,3.104,5,0.397,0.67,1.0,0.5729045301898431,0.5994705640463299,0.6672092385717223,0.6842916866561579,0.6309690048660133
EOS-4-06852,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3cnc(Cl)nc3)n12,SZIISYKLXHPLFV-UHFFFAOYSA-N,4,1,0.54,47,164,437.826,2.78,5,0.403,0.66,1.0,0.9134997601261051,0.8562470015763142,0.41811733260228906,0.4394661092454253,0.6568325508875335
EOS-4-06853,Cc1ccc(-c2nnc3cncc(-c4ncnc(-c5ccc(F)c(C#N)c5)n4)n23)cn1,JXASQIPSQLRTJR-UHFFFAOYSA-N,4,1,0.353,29,849,409.388,3.025,5,0.446,0.78,0.96,0.3858885614419848,0.5419265300527722,0.5342762661914879,0.532288739634021,0.4985950243300665
EOS-4-06854,Cn1nccc1-c1nc(COc2cncc3nnc(-c4ccc(C(F)F)c(F)c4)n23)ccc1F,JBDVKWDDCKDZOS-UHFFFAOYSA-N,4,1,0.495,4,51,469.402,4.382,5,0.343,0.65,1.0,0.607206497155781,0.6520714824206703,0.9200191899115894,0.880105887190734,0.7648507641696937
EOS-4-06855,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1C#N,KONUOZYXHUIJRK-UHFFFAOYSA-N,4,1,0.511,43,521,443.417,3.921,5,0.409,0.71,0.997,0.8283016928243437,0.6860222054691248,0.9330066479336577,0.9109382496059215,0.8395671989582619
EOS-4-06856,C#Cc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cn1,ZMECLMYUSULTSC-UHFFFAOYSA-N,4,1,0.736,90,811,394.797,2.977,4,0.484,0.71,1.0,0.8780241244602838,0.9017373723528203,0.7508909601809335,0.7468302378178329,0.8193706737029676
EOS-4-06857,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)cnc1F,UFQLSDMYVOMZDH-UHFFFAOYSA-N,4,1,0.512,58,28,455.425,3.744,5,0.36,0.58,1.0,0.820428688917826,0.8766020149407169,0.5965492426838462,0.5869885545884449,0.7201421252827085
EOS-4-06858,OCc1cnc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)nc1,JIMYNFHCYQSDOT-UHFFFAOYSA-N,4,1,0.411,7,435,431.391,1.644,5,0.422,0.67,0.786,0.5230193269823864,0.4163354122404222,0.23132410389966418,0.20540915632924406,0.34402199986292925
EOS-4-06859,Fc1ccc(CCCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)nc1F,XMXDWZQXGZRPNF-UHFFFAOYSA-N,4,1,0.5,11,922,450.474,4.6,5,0.266,0.62,1.0,0.8979250908094031,0.8926221643478857,0.6119868412034816,0.620433829072716,0.7557419813583716
EOS-4-06860,N#Cc1ccc(-c2ncc(-c3nnc4cncc(-c5ccc(Cl)nc5)n34)cn2)cc1,CEWDCRQFTZRIMB-UHFFFAOYSA-N,4,1,0.479,82,478,410.828,3.835,5,0.416,0.84,1.0,0.3511496813103968,0.509851963539168,0.7508995271057501,0.8020183674868069,0.6034798848605305
EOS-4-06861,N#Cc1ccc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)cc1-c1nccs1,HGOWRUOSBMFNQG-UHFFFAOYSA-N,4,1,0.457,4,526,448.418,3.434,5,0.376,0.66,1.0,0.7878915084641217,0.7644181344664519,0.5965578096086629,0.5713282160235762,0.6800489171407031
EOS-4-06862,COc1cc(-c2nnc3cncc(OCCc4cc(F)ncc4Cl)n23)ccc1-c1ccnnc1,BHNBWCUUESXANQ-UHFFFAOYSA-N,4,1,0.526,35,202,477.887,4.066,5,0.323,0.56,1.0,0.8873792063600849,0.8682149955451991,0.7932972380234391,0.7308871907340141,0.8199446576656843
EOS-4-06863,N#Cc1cc(-c2cccc(F)n2)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,LFMCMAVMBNPHAJ-UHFFFAOYSA-N,4,1,0.467,72,418,458.844,3.886,5,0.364,0.5,1.0,0.7264238229045302,0.7601004043588514,0.7808751970392708,0.8020269344116236,0.767356589678569
EOS-4-06864,Fc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)n1,FMTQCTAXVKTKQM-UHFFFAOYSA-N,4,1,0.56,4,31,422.42,4.167,5,0.396,0.8,1.0,0.7381947776026317,0.7858697142073882,0.704843739291344,0.7010657254471935,0.7324934891371393
EOS-4-06865,Fc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5cscn5)c4)n23)nc1,HASAYSOEIXAQJV-UHFFFAOYSA-N,4,1,0.494,73,196,423.408,3.562,5,0.427,0.78,1.0,0.8176615722020424,0.7858782811322048,0.564294770749092,0.5809574395175108,0.6871980159002125
EOS-4-06866,Fc1cncc(-c2ncc(-c3nnc4cncc(-c5cnn(-c6ncccc6F)c5)n34)cn2)c1,JYCRBWQLFNTTQJ-UHFFFAOYSA-N,4,1,0.308,86,780,454.404,3.169,6,0.399,0.72,1.0,0.015694606264135425,0.16469912960043862,0.4218182441230896,0.47697210609279694,0.26979602152011517
EOS-4-06867,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c1,PKVVHZNAGDEIEE-UHFFFAOYSA-N,4,1,0.622,11,28,436.447,4.21,5,0.371,0.68,1.0,0.8204372558426427,0.8926307312727023,0.5933452128024125,0.614531217874032,0.7302361044479474
EOS-4-06868,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5cnc(F)cn5)n34)c2)nc1,WTXNOQNYGDJWBS-UHFFFAOYSA-N,4,1,0.46,2,491,419.355,2.29,5,0.423,0.68,1.0,0.5755345761085601,0.5559848536769242,0.36663011445411553,0.3473716674662463,0.46138030292646154
EOS-4-06869,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCC3Cc4ccccc4O3)n12,DCTNDPDAXQRSCI-UHFFFAOYSA-N,4,1,0.48,11,28,446.467,3.831,6,0.379,0.54,0.999,0.8354465081214447,0.8623980535946817,0.6062127338770475,0.5869971215132616,0.7227636042766089
EOS-4-06870,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5nccs5)ccn4)n23)c(F)c1,CAWIZMMZQWALHY-UHFFFAOYSA-N,4,1,0.414,13,110,408.393,4.38,5,0.439,0.74,1.0,0.5674045644575423,0.5514872181481736,0.7307501199369474,0.7468388047426496,0.6491201768213283
EOS-4-06871,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ccncn1,OFODNBWKXLTCDI-UHFFFAOYSA-N,4,1,0.506,35,777,443.442,3.413,5,0.377,0.64,1.0,0.907494345829621,0.7561082173942841,0.6355287505996847,0.5155061339181687,0.7036593619354397
EOS-4-06872,Cc1nc(-c2ccc(F)cn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,VHAPWRRUWAJNPD-UHFFFAOYSA-N,4,1,0.523,58,578,445.433,3.851,5,0.367,0.66,1.0,0.9230604482215065,0.8711191830580495,0.6119954081282982,0.5745236789801933,0.7451746795970118
EOS-4-06873,Fc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)c(F)n1,LEQYKTXBSUBCIG-UHFFFAOYSA-N,4,1,0.463,58,132,466.839,3.591,5,0.35,0.58,1.0,0.8541738057706806,0.9042046467000205,0.46168014529504486,0.5484716606127065,0.6921325645946131
EOS-4-06874,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)cc1F,RLJOAJXUVXINRN-UHFFFAOYSA-N,4,1,0.538,90,133,428.374,2.585,4,0.507,0.79,1.0,0.6625659653210884,0.46501267904872867,0.7175741895689124,0.6347748612158179,0.6199819237886368
EOS-4-06875,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cccnc5F)c4)n23)cc1F,OAJCUXNUFXDQES-UHFFFAOYSA-N,4,1,0.337,62,3,442.429,4.158,5,0.423,0.86,1.0,0.3098485367692413,0.2904787197587554,0.8422400795010623,0.8084007264752244,0.5627420156260708
EOS-4-06876,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3cc(F)cc(F)n3)n12,XSMHYDOITPKJBN-UHFFFAOYSA-N,4,1,0.489,4,666,447.43,4.039,5,0.375,0.73,0.999,0.6560379686107874,0.7516448495648003,0.7892793502844219,0.767279487355219,0.7410604139538072
EOS-4-06877,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cc2)nc1,JUMKIUFEBURSIE-UHFFFAOYSA-N,4,1,0.6,15,604,443.442,3.413,5,0.353,0.75,1.0,0.9568655335480776,0.9221780549653896,0.5409413336988554,0.41433931875813856,0.7085810602426152
EOS-4-06878,Fc1cc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)ncc1-c1csnn1,UVGIPSMYQUYLPQ-UHFFFAOYSA-N,4,1,0.356,85,243,455.429,3.789,5,0.412,0.62,0.999,0.06376362141045851,0.1773696114042903,0.6240062367212665,0.5518041943663903,0.3542359159756014
EOS-4-06879,Fc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,GQRIPXBFWIWDJV-UHFFFAOYSA-N,4,1,0.547,72,208,434.822,3.41,5,0.414,0.71,1.0,0.5783787951476937,0.7196902199986293,0.577547803440477,0.6319392091015009,0.6268890069220753
EOS-4-06880,Cc1ncc(-c2nc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2F)nn1,MDEOZPLJSWZDAO-UHFFFAOYSA-N,4,1,0.473,27,69,465.399,3.397,5,0.372,0.71,0.997,0.6472140360496196,0.7731049962305531,0.5444280720992393,0.46470426975532864,0.6073628435336851
EOS-4-06881,Cc1cnc(C(=O)c2ccc(-c3cncc4nnc(-c5cncc(F)c5)n34)s2)nc1Cl,BBKUACRDTPPTLX-UHFFFAOYSA-N,4,1,0.29,50,155,451.874,4.037,5,0.3,0.64,0.358,0.2430265231992324,0.3593310945103146,0.2560653827702008,0.34738023439106297,0.3014508087177027
EOS-4-06882,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cnc5Cl)n34)c(F)n2)n1,FXRBARHQAYYDGO-UHFFFAOYSA-N,4,1,0.463,58,262,480.866,3.9,5,0.337,0.6,1.0,0.9058494962648208,0.9257761633883901,0.5101860736070181,0.5354670687410047,0.7193197005003085
EOS-4-06883,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ccc(Cl)nn1,SOGBDIHNGHZYNA-UHFFFAOYSA-N,4,1,0.365,14,189,463.86,4.023,5,0.348,0.76,1.0,0.5986738400383799,0.5747121513261599,0.7307586868617642,0.6637225001713385,0.6419667945994106
EOS-4-06884,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)cc3)n12,JLABVWFSUBPKBI-UHFFFAOYSA-N,4,1,0.585,15,300,413.416,3.404,5,0.421,0.73,1.0,0.9256390925913234,0.895115139469536,0.43663902405592486,0.42714687135905693,0.6711350318689603
EOS-4-06885,FC(F)Oc1ccc(-c2nnc3cncc(OCc4cc(-c5cscn5)ncn4)n23)cc1,DHTHBYFAVDPEOP-UHFFFAOYSA-N,4,1,0.688,24,996,453.434,3.885,5,0.366,0.65,1.0,0.662574532245905,0.8258001507778767,0.722971352203413,0.6407974093619354,0.7130358611472826
EOS-4-06886,NC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cncc(F)c5)n4)n23)c(F)c1,UKSBSXWPQHNDOQ-UHFFFAOYSA-N,4,1,0.374,96,140,429.39,3.292,5,0.469,0.73,1.0,0.26177952162291823,0.2643410321431019,0.691899115893359,0.6783462408333905,0.47409147762319237
EOS-4-06887,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,SDQMRWLBAISAJV-UHFFFAOYSA-N,4,1,0.476,24,786,423.408,3.562,5,0.399,0.64,1.0,0.768101912137619,0.7105064765951614,0.6209649784113495,0.5961294633678295,0.6739257076279899
EOS-4-06888,Fc1nc(-c2cncnn2)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,MVDXXAVAKZFYOD-UHFFFAOYSA-N,4,1,0.434,58,24,467.827,2.986,5,0.347,0.55,0.999,0.8204458227674594,0.8501216503323967,0.47542149270098005,0.5484802275375231,0.6736172983345898
EOS-4-06889,Fc1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)cc1-c1ncon1,RYFPXCXLSGBQSX-UHFFFAOYSA-N,4,1,0.524,73,82,425.33,3.233,5,0.396,0.73,1.0,0.7793674182715372,0.7601089712836681,0.7621821670893016,0.7468473716674663,0.7621264820779934
EOS-4-06890,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)cn1,XSLOJXUFACJVJE-UHFFFAOYSA-N,4,1,0.568,55,109,429.415,3.37,5,0.405,0.72,1.0,0.7990627784250566,0.7689243369200192,0.5678157768487424,0.4680453704338291,0.6509620656569118
EOS-4-06891,Cc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,PRQSQVRPMRQLNI-UHFFFAOYSA-N,4,1,0.479,73,263,480.866,3.9,5,0.337,0.57,1.0,0.9010434514426702,0.9066804879720376,0.5275597971352204,0.5453961346035228,0.7201699677883627
EOS-4-06892,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)cn1,DTRPFXBKZVRFCT-UHFFFAOYSA-N,4,1,0.581,35,426,427.443,3.712,5,0.408,0.69,1.0,0.9163011445411555,0.8766105818655335,0.5805290932766775,0.5186416284010692,0.7230206120211089
EOS-4-06894,Fc1ccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)cn1,ZCCQHPNWKOGZFO-UHFFFAOYSA-N,4,1,0.506,24,912,439.863,4.076,5,0.381,0.68,1.0,0.7534439037763004,0.6761274073058735,0.6355373175245014,0.6493557672537866,0.6786160989651155
EOS-4-06895,Cn1nccc1-c1cccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)c1,XBZPJEDSLBGSNF-UHFFFAOYSA-N,4,1,0.536,43,521,418.407,4.049,5,0.431,0.67,1.0,0.6184548694400658,0.5419350969775889,0.8875248440819683,0.8568723870879309,0.7261967993968885
EOS-4-06896,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nc5)n34)c(F)c2)cs1,SHYAAJCVZJBJOJ-UHFFFAOYSA-N,4,1,0.541,97,992,452.902,4.99,5,0.349,0.74,1.0,0.820454389692276,0.8102854499348914,0.7645637721883353,0.7518932903844836,0.7867992255499966
EOS-4-06897,C#Cc1cc(NCc2cncc3nnc(-c4ccc(C(=O)NCC)cc4F)n23)ccc1F,QCAVQTRJIBFFMO-UHFFFAOYSA-N,4,1,0.383,0,678,432.434,3.413,4,0.456,0.76,1.0,0.3468576519772463,0.35433657734219726,0.7435919402371325,0.623038174216983,0.5169560859433897
EOS-4-06898,FC(F)c1ncc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4Cl)n23)s1,FONJHQPLPSGKBY-UHFFFAOYSA-N,4,1,0.5,24,28,477.909,4.936,5,0.32,0.51,1.0,0.7204955109313961,0.7858868480570215,0.41065554108697144,0.41114385580152146,0.5820454389692276
EOS-4-06899,Clc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1ccsc1,MDXMYYUDACOABA-UHFFFAOYSA-N,4,1,0.562,35,795,434.912,4.585,5,0.389,0.73,1.0,0.8472602974436296,0.8562555685011308,0.4997001576314166,0.5840586663011446,0.6968186724693304
EOS-4-06900,COc1cc(-c2nnc3cncc(OCCc4ccc(C#N)c(F)c4)n23)ccc1-c1cccnn1,VKGRTYNNLUZVKG-UHFFFAOYSA-N,4,1,0.568,91,925,467.464,3.889,5,0.354,0.73,1.0,0.9562058803371941,0.9368874648756083,0.8324652182852443,0.7308957576588307,0.8641135802892194
EOS-4-06901,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1C#N,IMEJXYZSQCITLN-UHFFFAOYSA-N,4,1,0.494,43,332,459.872,4.435,5,0.386,0.75,0.999,0.8380594201905284,0.7983088890411898,0.9256904941402234,0.9195908436707559,0.8704124117606743
EOS-4-06902,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,VMZVSQGXFOGWOO-UHFFFAOYSA-N,4,1,0.58,35,202,418.457,4.07,5,0.414,0.68,1.0,0.838067987115345,0.8624066205194983,0.6644249880063052,0.6723151257624563,0.7593036803509012
EOS-4-06904,COc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cc1F,OKUGNJJXYXVBLO-UHFFFAOYSA-N,4,1,0.407,0,21,435.434,3.981,5,0.485,0.85,1.0,0.30198409978754026,0.25926941265163456,0.11858337331231582,0.32476355287506,0.25115010965663764
EOS-4-06905,Oc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)cc1,FNJAEHGIPIJINJ-UHFFFAOYSA-N,4,1,0.573,11,28,434.456,3.776,5,0.406,0.64,1.0,0.7736361455691865,0.7561167843191008,0.5031440614077171,0.46171441299431154,0.623652851072579
EOS-4-06906,Cc1nc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)cc2F)cs1,IAFKWJJYBYZSKQ-UHFFFAOYSA-N,4,1,0.408,14,189,436.447,4.475,5,0.378,0.83,1.0,0.5306524569940374,0.6470426975532863,0.7531526283325337,0.7065742581043108,0.659355510246042
EOS-4-06907,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cc5F)n34)nn2)no1,WUDWFIBFVBTFAO-UHFFFAOYSA-N,4,1,0.432,54,445,439.357,3.541,5,0.383,0.67,0.344,0.7264323898293469,0.6229782057432663,0.7382975807004317,0.7255071619491468,0.703303834555548
EOS-4-06908,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c1,RJZPJKYAWJRLSQ-UHFFFAOYSA-N,4,1,0.622,11,28,469.357,5.238,5,0.317,0.64,1.0,0.7990713453498732,0.8951237063943527,0.6592162977177712,0.7570248783496676,0.7776090569529162
EOS-4-06910,Clc1cccc(COCc2cncc3nnc(-c4ccc(-c5nccs5)c(Cl)c4)n23)n1,COTJATTZWRMLBK-UHFFFAOYSA-N,4,1,0.442,14,189,469.357,5.333,5,0.313,0.78,1.0,0.4282177369611404,0.5011137002261669,0.6944349256390926,0.776874443149887,0.6001602014940717
EOS-4-06911,Fc1cc(-c2nnc3cncc(COc4cccnc4)n23)ccc1-c1nnc2cncc(C3CC3)n12,GPNGKYZLFKQYCX-UHFFFAOYSA-N,4,1,0.436,14,351,479.479,3.887,7,0.354,0.61,1.0,0.5783873620725104,0.5747207182509766,0.2528784867384004,0.4143478856829552,0.45508361318621066
EOS-4-06912,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1,GPECYKLIFGXCBY-UHFFFAOYSA-N,4,1,0.339,61,331,464.411,3.173,5,0.414,0.79,1.0,0.05675587691042423,0.2643495990679186,0.667217805496539,0.6347834281406346,0.4057766774038791
EOS-4-06913,FC(F)c1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)nn1,VFEYNUOSQOLQGX-UHFFFAOYSA-N,4,1,0.416,53,52,468.815,2.998,5,0.343,0.46,0.984,0.6044907819888973,0.8736035912548832,0.4075628812281543,0.43342642724967445,0.5797709204304023
EOS-4-06914,Fc1ccccc1-c1cnc(-c2nnc3cncc(-c4cnnc(-c5cncc(Cl)n5)n4)n23)cn1,XTRAWLJWWJAKIX-UHFFFAOYSA-N,4,1,0.367,86,72,483.858,3.35,6,0.367,0.57,0.052,0.25371804537043385,0.38789322184908503,0.259826262764718,0.4208673154684395,0.33057621136316906
EOS-4-06915,Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1Cl,BGJUHKSRLJFANA-UHFFFAOYSA-N,4,1,0.645,90,281,400.269,4.423,4,0.464,0.79,1.0,0.9483328764306764,0.9628966486190117,0.8564611746967309,0.8858714275923515,0.9133905318346927
EOS-4-06916,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5csc(F)n5)nc4Cl)n23)ccn1,JWANNSFQSZRRAV-UHFFFAOYSA-N,4,1,0.556,58,28,471.88,4.258,5,0.342,0.54,1.0,0.8909430470838188,0.9106641080117881,0.6150623672126654,0.6465886505380029,0.7658145432115687
EOS-4-06917,N#Cc1cc(F)c(-c2nnc3cncc(OCc4cc(-n5cccn5)cnn4)n23)cc1Cl,SMQCESFUJMMTIA-UHFFFAOYSA-N,4,1,0.446,36,534,447.821,3.01,5,0.403,0.54,1.0,0.3719758755397163,0.5419436639024056,0.7204869440065794,0.7364642587896648,0.5927176855595915
EOS-4-06918,Fc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3ccnc(Br)n3)n12,MINZSBGLKGPMMY-UHFFFAOYSA-N,4,1,0.511,11,0,482.273,3.759,5,0.337,0.63,1.0,0.8256202453567267,0.7601175382084847,0.4616887122198616,0.4490267973408265,0.6241133232814748
EOS-4-06919,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)cc1F,IMPYHJLTQNUPSB-UHFFFAOYSA-N,4,1,0.362,83,472,467.479,5.296,6,0.381,0.87,1.0,0.337425467754095,0.4117007059146049,0.8060191213761908,0.8786238091974505,0.6084422760605853
EOS-4-06921,Fc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)ncc1Cl,OWKRJWODCTWBMK-UHFFFAOYSA-N,4,1,0.535,24,469,474.308,4.73,5,0.34,0.65,1.0,0.6656414913302721,0.7196987869234459,0.7509080940305668,0.8062932629703242,0.7356354088136523
EOS-4-06922,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5(C)CC5)cc4F)n23)c(F)c1F,PGAUBKWECDAAPN-UHFFFAOYSA-N,4,1,0.34,0,129,480.45,3.518,5,0.455,0.75,1.0,0.39678568980878626,0.4252535809745734,0.5031526283325337,0.542294907819889,0.46687170173394565
EOS-4-06923,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)c(Cl)n2)nn1,IVGAUWDBXPMEHQ-UHFFFAOYSA-N,4,1,0.478,58,639,466.839,3.591,5,0.35,0.55,0.999,0.8541823726954972,0.9017459392776369,0.5101946405318347,0.57453224590501,0.7101637996024948
EOS-4-06924,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c(Cl)n1,DQXXDFDTSNAGQA-UHFFFAOYSA-N,4,1,0.582,35,352,469.357,5.238,5,0.317,0.63,1.0,0.9089764238229046,0.9277037214721403,0.7282143101912137,0.7886282639983552,0.8383806798711534
EOS-4-06925,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cnsc1,FYUKNYUWWZRFBX-UHFFFAOYSA-N,4,1,0.649,35,234,418.457,4.07,5,0.414,0.69,1.0,0.8256288122815434,0.7858954149818381,0.6781663354122405,0.6664639161126722,0.7390386196970735
EOS-4-06926,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4ncc(C(F)F)cc4F)n23)ccc1F,UZBZFNKYCASJOK-UHFFFAOYSA-N,4,1,0.478,36,911,470.39,3.777,5,0.349,0.64,1.0,0.7017596463573436,0.7105150435199781,0.8625265574669316,0.8310688095401275,0.7764675142210952
EOS-4-06929,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,IPNWIWRHSRNOCH-UHFFFAOYSA-N,4,1,0.628,35,234,418.457,4.07,5,0.414,0.7,1.0,0.7736447124940031,0.7940425604824892,0.6621290521554383,0.6577085189500377,0.7218812110204921
EOS-4-06930,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)cc4)n23)c(F)c1F,PWFGOKVABAWDCE-UHFFFAOYSA-N,4,1,0.31,96,648,443.417,3.553,5,0.456,0.83,1.0,0.24303509012404906,0.3054708381879241,0.7979833458981564,0.7440716880268659,0.5226402405592488
EOS-4-06931,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(F)c(COC)c4)n23)c(F)c1F,UJZVJPFBDAMHFQ-UHFFFAOYSA-N,4,1,0.296,90,129,442.401,3.167,4,0.461,0.74,0.809,0.33496676033171136,0.42969981495442394,0.7553971626345007,0.6434702899047358,0.5408835069563429
EOS-4-06932,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,BUGKLBGAUVEICR-UHFFFAOYSA-N,4,1,0.722,90,811,400.801,3.004,4,0.491,0.76,1.0,0.7793759851963539,0.7335600712768144,0.615070934137482,0.5682269892399424,0.6740584949626482
EOS-4-06933,Cc1cnnc(-c2nc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)ccc2F)n1,HUJVDBDXKONOAF-UHFFFAOYSA-N,4,1,0.35,46,128,452.36,2.133,5,0.366,0.55,0.965,0.6072150640805977,0.5609108354465081,0.16966794599410595,0.1993523404838599,0.3842865465012679
EOS-4-06934,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1cscn1,SNPFMWFGTRGMIS-UHFFFAOYSA-N,4,1,0.691,91,955,447.495,4.684,5,0.361,0.79,1.0,0.9319614831060242,0.8400469467479953,0.7436005071619491,0.6549585360838873,0.792641868274964
EOS-4-06935,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)cc(F)n1,OOOVPMFNOYOFLA-UHFFFAOYSA-N,4,1,0.556,58,28,455.425,3.744,5,0.36,0.53,1.0,0.8608131725035981,0.8736121581796998,0.5838359262559112,0.5713367829483929,0.7223995099719005
EOS-4-06936,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cn[nH]n5)c(F)c4)n23)ccn1,KQBAMYHXNOYRAW-UHFFFAOYSA-N,4,1,0.568,37,626,420.383,2.871,5,0.421,0.59,1.0,0.9474333493249263,0.8562641354259475,0.7023336303200604,0.6812075937221574,0.7968096771982729
EOS-4-06937,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(Cl)nn5)cc4F)n23)nc1,ZIDDNJWBCXPCFV-UHFFFAOYSA-N,4,1,0.308,96,586,462.832,3.327,5,0.42,0.73,0.762,0.609913645397848,0.5237303817421698,0.527568364060037,0.5120022616681515,0.5433036632170516
EOS-4-06938,Fc1nc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,MHHFMYUKNNEFFP-UHFFFAOYSA-N,4,1,0.478,58,28,455.812,3.789,5,0.356,0.57,1.0,0.7936484819409225,0.7644267013912686,0.6062213008018642,0.6521999862929203,0.7041241176067439
EOS-4-06939,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)ccc1F,XUJGOQSSZTUGNM-UHFFFAOYSA-N,4,1,0.542,97,702,429.44,3.9,5,0.417,0.69,1.0,0.8231529710095264,0.8258087177026935,0.6944434925639092,0.6434788568295524,0.7467210095264205
EOS-4-06940,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NCC5CC5)c(F)c4)n23)cn1,BGIPVIPBIWJGBD-UHFFFAOYSA-N,4,1,0.4,63,364,467.455,3.563,5,0.446,0.69,1.0,0.26968679322870265,0.33485539030909467,0.3480912891508464,0.3569580563360976,0.3273978822561853
EOS-4-06941,CCc1nc(COc2cncc3nnc(-c4ccc(-c5cccnc5)nc4F)n23)ccc1F,ZIMUPQOOMKARRT-UHFFFAOYSA-N,4,1,0.517,4,71,445.433,4.063,5,0.364,0.66,1.0,0.6531680487972038,0.7644352683160852,0.5444366390240559,0.5053114933863341,0.6168378623809199
EOS-4-06942,Fc1cnc(-c2ccnc(-c3cncc4nnc(-c5ccc(-c6ccncc6)nc5)n34)n2)nc1,QZYPUDACVPJAKU-UHFFFAOYSA-N,4,1,0.316,86,723,448.425,3.301,6,0.4,0.66,1.0,0.2696953601535193,0.3348639572339113,0.25983482968953464,0.30003084092934,0.29110624700157633
EOS-4-06943,Cc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1ccnnc1,OOUOMVXGOPTASR-UHFFFAOYSA-N,4,1,0.512,4,202,447.861,4.323,5,0.396,0.63,1.0,0.7444657665684326,0.7815434171749709,0.8405523953121787,0.8230073332876431,0.7973922280858063
EOS-4-06945,Cc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCc3ccncc3F)n12,HGKBIRDIHLXNKC-UHFFFAOYSA-N,4,1,0.46,97,879,413.416,3.67,5,0.434,0.81,0.999,0.7879000753889384,0.7059060379686107,0.5900897813720787,0.5386453978479885,0.6556353231444041
EOS-4-06946,Fc1cncc(F)c1COc1cncc2nnc(-c3cnnc(-c4ccsc4)c3)n12,SEXILMNFIQOPHT-UHFFFAOYSA-N,4,1,0.459,2,980,423.408,3.562,5,0.427,0.52,1.0,0.6440785415667192,0.580049345486944,0.6756219587416901,0.6843002535809746,0.646012524844082
EOS-4-06947,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cnc(C(F)F)c(F)c4)n23)cc1,IGLOUJHCFFGGOS-UHFFFAOYSA-N,4,1,0.416,66,678,427.39,3.235,4,0.49,0.84,1.0,0.22090672332259612,0.26435816599273526,0.714978411349462,0.5084898224933178,0.42718328078952783
EOS-4-06948,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)c1,WSNIYNVLWAMVQL-UHFFFAOYSA-N,4,1,0.565,37,325,455.812,3.789,5,0.356,0.66,1.0,0.92436262079364,0.892639298197519,0.7229799191282297,0.7596806250428346,0.8249156157905558
EOS-4-06949,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(C(F)F)nn5)n34)ccc2F)cs1,ANNVOCAJGCGUNV-UHFFFAOYSA-N,4,1,0.494,4,799,469.452,4.669,5,0.357,0.71,1.0,0.6685970803920225,0.7815519840997875,0.7531611952573504,0.6694023713247893,0.7181781577684875
EOS-4-06950,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)c(Cl)c4)n23)n1,XVBZMKUYWQETPA-UHFFFAOYSA-N,4,1,0.529,35,490,469.357,5.238,5,0.317,0.68,1.0,0.9042903159481872,0.8845521211705846,0.6889692276060585,0.769806730176136,0.8119045987252416
EOS-4-06951,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccn5)c(F)c4)n23)cc1Cl,CDKCKACLYFVXIB-UHFFFAOYSA-N,4,1,0.34,96,802,459.872,4.067,5,0.435,0.86,1.0,0.309857103694058,0.34962476869302994,0.6532965526694537,0.6577170858748543,0.492623877732849
EOS-4-06952,Fc1cnc(-c2ccnc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)c2)nc1,NUDUSEHLSONWQH-UHFFFAOYSA-N,4,1,0.5,46,949,418.367,2.896,5,0.429,0.65,1.0,0.4973099856075663,0.4871496127749983,0.4862158179699815,0.48908573778356523,0.4899402885340278
EOS-4-06953,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,ZYDOYQHURIURHG-UHFFFAOYSA-N,4,1,0.838,48,378,439.878,3.955,4,0.471,0.85,1.0,0.6837862380919745,0.47369954081282983,0.7282228771160304,0.657725652799671,0.6358585772051264
EOS-4-06954,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1F,MSOBGUPKNLPYLH-UHFFFAOYSA-N,4,1,0.554,34,607,437.385,3.583,5,0.418,0.72,1.0,0.7651291892262353,0.7516534164896169,0.8453584401343294,0.8484596669179632,0.8026501781920362
EOS-4-06955,Fc1ccnc(COc2cncc3nnc(-c4cccc(-c5ccsn5)c4)n23)c1F,KZKNYKYHDNVZQW-UHFFFAOYSA-N,4,1,0.523,97,666,422.42,4.167,5,0.423,0.63,1.0,0.5408042629017887,0.565348502501542,0.7436090740867658,0.7468559385922829,0.6491544445205949
EOS-4-06956,Fc1cc(-c2nnc3cncc(OCCc4nccc(C(F)F)n4)n23)ccc1-c1ncon1,DAFJOQGPRBPPPZ-UHFFFAOYSA-N,4,1,0.495,37,325,454.372,3.33,5,0.365,0.61,1.0,0.7936570488657392,0.7428894524021658,0.5511959427044069,0.4890943047083819,0.6442091871701734
EOS-4-06957,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)cn2)nc1,VAOCKYNEJIJVBK-UHFFFAOYSA-N,4,1,0.548,73,930,434.822,3.41,5,0.414,0.68,1.0,0.615739154273182,0.764443835240902,0.4894027140017819,0.5354756356658213,0.6012653347954218
EOS-4-06958,Cc1ccc(F)c(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)n1,FFGZYQHJMPYOQD-UHFFFAOYSA-N,4,1,0.456,51,196,448.849,3.718,5,0.4,0.64,1.0,0.7765489000068535,0.6810619560002742,0.42182681104790626,0.4365019532588582,0.578984905078473
EOS-4-06959,O=C(NC1(C(F)(F)F)CC1)c1ccc(Cc2cncc3nnc(-c4ccc(F)cn4)n23)nn1,FFTVNHRDIRGMJK-UHFFFAOYSA-N,4,1,0.394,66,455,458.379,2.531,5,0.458,0.6,1.0,0.19344116236035913,0.28521862792132135,0.3929134397916524,0.5322973065588377,0.35096763415804266
EOS-4-06960,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)F)nn5)n34)c(F)c2)cs1,XPGQPBFNXUCUCY-UHFFFAOYSA-N,4,1,0.477,4,52,469.452,4.669,5,0.357,0.65,1.0,0.6656500582550887,0.7428980193269824,0.7436176410115825,0.654967103008704,0.7017832054005894
EOS-4-06961,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cccs4)nc3Cl)n12,DPLHEFCMONYDRR-UHFFFAOYSA-N,4,1,0.524,58,28,452.902,4.724,5,0.347,0.65,1.0,0.8739034336234666,0.9086680145295045,0.6388784182030018,0.6956000274141594,0.7792624734425331
EOS-4-06963,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)nc1,KKROHZGKMAZYJA-UHFFFAOYSA-N,4,1,0.46,55,242,414.404,3.065,5,0.432,0.81,0.998,0.8380765540401618,0.7516619834144336,0.4142365156603386,0.36021348776643136,0.5910471352203412
EOS-4-06964,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccn5)n34)c(F)n2)nc1,QZJVMERZEVPWHQ-UHFFFAOYSA-N,4,1,0.466,65,263,433.382,2.333,5,0.372,0.66,1.0,0.7765574669316702,0.7689329038448358,0.21677746556096222,0.23454526763073127,0.4992032759920499
EOS-4-06965,N#Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1ccccc1,LOABIKLVRAQDHB-UHFFFAOYSA-N,4,1,0.512,1,418,439.866,4.352,5,0.401,0.69,1.0,0.7681104790624358,0.8650795010622987,0.7761291206908368,0.8106966623260914,0.8050039407854157
EOS-4-06967,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cn1,RGCUSRBFDSFNOD-UHFFFAOYSA-N,4,1,0.518,65,981,414.404,2.799,5,0.418,0.69,1.0,0.8231615379343431,0.8650880679871154,0.38188780755260093,0.3506185319717634,0.6051889863614557
EOS-4-06968,OCc1cc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)ccc1Cl,VEPAANMVWSTTRQ-UHFFFAOYSA-N,4,1,0.542,90,400,417.256,3.002,4,0.515,0.7,1.0,0.7736532794188198,0.8845606880954012,0.6533051195942704,0.7519018573093003,0.765855236104448
EOS-4-06969,COc1cc(-c2nnc3cncc(OCCc4c(F)cncc4Cl)n23)ccc1-c1ccsc1,GKWZCNAZAHTDTI-UHFFFAOYSA-N,4,1,0.549,35,982,481.94,5.337,5,0.312,0.58,1.0,0.8873877732849017,0.8736207251045165,0.8391217188677952,0.8130354328010417,0.8532914125145638
EOS-4-06970,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1ccoc1,YOUFUCSEZAQIFZ-UHFFFAOYSA-N,4,1,0.545,35,103,449.417,4.355,5,0.341,0.52,1.0,0.8979336577342197,0.7197073538482627,0.8610273456240148,0.7745099719004866,0.8132945822767459
EOS-4-06971,N#Cc1cccnc1Oc1cncc2nnc(-c3cc(-c4ccc(F)nn4)cnn3)n12,QGLANOBXGSYYDG-UHFFFAOYSA-N,4,1,0.31,53,785,412.348,2.236,5,0.431,0.56,0.997,0.6014752244534302,0.48715817969981495,0.3334332807895278,0.3280018504557604,0.4375171338496333
EOS-4-06972,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(Cl)c4)n23)c(F)n1,VFVBDUQHEGRXLS-UHFFFAOYSA-N,4,1,0.518,59,16,453.84,4.097,5,0.373,0.69,1.0,0.7562881228154342,0.7601261051333014,0.8307861010211774,0.8351637996024946,0.7955910321431019
EOS-4-06973,Clc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5ccnnc5)c4)n23)nc1,MSBRLGORHZFSLA-UHFFFAOYSA-N,4,1,0.5,73,196,451.277,3.924,5,0.396,0.61,1.0,0.7264409567541635,0.8973682406963196,0.6324874922897676,0.720264203961346,0.7441402234253991
EOS-4-06974,Clc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,BUYLVSMQPGCXDB-UHFFFAOYSA-N,4,1,0.575,35,201,434.912,4.585,5,0.389,0.74,1.0,0.8909516140086354,0.9066890548968543,0.6505979713522034,0.6783548077582071,0.781648362003975
EOS-4-06976,Clc1cc(OCc2cncc3nnc(-c4ccc(Cl)nc4-c4cccnn4)n23)ccn1,BKLJOMBQJQXRON-UHFFFAOYSA-N,4,1,0.35,14,920,451.277,3.924,5,0.371,0.62,1.0,0.5254951682544033,0.5800579124117606,0.5031611952573504,0.6113957233911316,0.5550274998286615
EOS-4-06977,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cc2F)nc1,MHAKVIKHVUVSLN-UHFFFAOYSA-N,4,1,0.523,37,325,445.433,3.851,5,0.392,0.76,1.0,0.9176118840381057,0.9066976218216709,0.5643033376739086,0.5484887944623398,0.7342754094990063
EOS-4-06978,Fc1cc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)nc2)ccn1,MFCZHFACGCAIHE-UHFFFAOYSA-N,4,1,0.288,50,261,404.796,3.498,5,0.425,0.74,1.0,0.28042971694880403,0.4562658488109108,0.5342848331163046,0.6434874237543692,0.4786169556575972
EOS-4-06979,Cc1ncc(-c2cccc(-c3cncc4nnc(-c5ncncc5-c5ccc(F)c(F)c5)n34)n2)o1,CPRFZBIZGHWALF-UHFFFAOYSA-N,4,1,0.274,32,566,468.427,4.552,6,0.371,0.69,0.562,0.34686621890206293,0.41170927283942155,0.644986635597286,0.6577342197244876,0.5153240867658145
EOS-4-06980,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsn5)cc4Cl)n23)ccn1,SXVAIKLESXXEFB-UHFFFAOYSA-N,4,1,0.57,35,626,453.89,4.119,5,0.357,0.61,1.0,0.8739120005482832,0.884569255020218,0.6644335549311219,0.7065828250291275,0.7823744088821876
EOS-4-06981,C#Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cnsc5)n34)ccc2F)cn1,GYYWUIYWSKEAQE-UHFFFAOYSA-N,4,1,0.524,16,253,429.44,3.404,5,0.396,0.71,1.0,0.7296021520115139,0.7561253512439174,0.6240148036460832,0.5682355561647591,0.6694944657665685
EOS-4-06982,Cc1nccc(-c2nnc3cncc(Cc4ccc(Cl)c(-c5ccncn5)c4)n23)n1,YWZQKOHOUHHWSF-UHFFFAOYSA-N,4,1,0.33,85,81,414.86,3.591,5,0.443,0.75,1.0,0.3019926667123569,0.2443029949969159,0.447493317798643,0.4921783976423823,0.37149184428757454
EOS-4-06983,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)nc4)n23)c(F)c1,OPLIJNRZTJHDKD-UHFFFAOYSA-N,4,1,0.38,96,478,428.387,2.674,5,0.452,0.79,1.0,0.4282263038859571,0.36900315262833255,0.41424508258515524,0.2938626550613392,0.37633429854019607
EOS-4-06984,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cnc(-c6ccsc6)cn5)n34)cc2)n1,PUJVTHZLSICRTQ-UHFFFAOYSA-N,4,1,0.342,32,983,451.49,5.178,6,0.344,0.6,1.0,0.334975327256528,0.39239942430265234,0.6835634980467411,0.7095641148653279,0.5301255911178123
EOS-4-06985,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c(F)cn1,PAXZWBZUVPEDIQ-UHFFFAOYSA-N,4,1,0.523,58,28,455.425,3.744,5,0.36,0.59,1.0,0.7906928928791721,0.8682235624700158,0.6062298677266809,0.5990250839558632,0.716042851757933
EOS-4-06986,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cn4)n23)cc1F,DTGYOWMBAMRWNQ-UHFFFAOYSA-N,4,1,0.333,74,155,428.387,2.674,5,0.452,0.78,1.0,0.5383027208553218,0.4965989308477829,0.3893067644438352,0.29687821259680625,0.4302716571859365
EOS-4-06987,O=C(NCCF)c1ccc(-c2nnc3cncc(-c4ccc(CO)nc4F)n23)cc1F,MHCKBMSPKIYBCP-UHFFFAOYSA-N,4,1,0.337,66,999,428.374,2.323,4,0.457,0.72,1.0,0.394729627852786,0.334872524158728,0.6090997875402645,0.5518127612912069,0.47262867521074636
EOS-4-06988,Fc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4Cl)n23)cc(-c2nccs2)n1,RXWWHEPCIGWMFI-UHFFFAOYSA-N,4,1,0.506,58,28,471.88,4.258,5,0.342,0.64,1.0,0.8608217394284148,0.881836406003701,0.5900983482968953,0.6347919950654513,0.7418871221986156
EOS-4-06989,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cc2F)n1,ZVXFVYVSXTZAFI-UHFFFAOYSA-N,4,1,0.495,47,712,438.373,3.276,5,0.42,0.65,1.0,0.6988383249948599,0.7382119114522651,0.6944520594887259,0.6752707148242068,0.7016932526900144
EOS-4-06991,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)cc1)N1CCCC1,ZCBCPUUGEQLYKU-UHFFFAOYSA-N,4,1,0.392,83,366,463.516,5.5,6,0.353,0.89,1.0,0.17087588239325613,0.1647076965252553,0.18914913302720857,0.48910287163319854,0.25345889589472964
EOS-4-06992,N#Cc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1nccs1,NOZWPTQYHDFWDB-UHFFFAOYSA-N,4,1,0.517,4,31,447.43,4.039,5,0.375,0.7,0.998,0.6927301076005757,0.7940511274073059,0.7933058049482558,0.7698152971009526,0.7624755842642725
EOS-4-06993,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1cccnn1,LRFCBRNXECNUJA-UHFFFAOYSA-N,4,1,0.489,72,224,447.405,3.509,5,0.365,0.7,1.0,0.7354619285861147,0.6957456651360427,0.7204955109313961,0.6230467411417997,0.6936874614488382
EOS-4-06994,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3Cl)n12,CMAMERIFQOVBPH-UHFFFAOYSA-N,4,1,0.512,58,698,471.88,4.258,5,0.342,0.65,1.0,0.787908642313755,0.8766191487903502,0.6672263724213556,0.6982814748817764,0.7575089096018093
EOS-4-06995,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCCF)cc4)n23)c(F)c1Cl,XKCQMCXTDRERBX-UHFFFAOYSA-N,4,1,0.34,0,938,470.867,3.31,4,0.45,0.74,1.0,0.4052069769035707,0.42970838187924065,0.5965663765334795,0.5218370913576863,0.4883297066684943
EOS-4-06996,Cc1cc(C)nc(-c2cncc3nnc(-c4ccc(OC(F)F)c(-c5cccnn5)c4)n23)n1,YARHPCCWUBRTPA-UHFFFAOYSA-N,4,1,0.378,50,121,446.421,3.924,5,0.4,0.74,0.998,0.47510451648276336,0.49660749777259955,0.5965749434582962,0.521845658282503,0.5225331539990405
EOS-4-06997,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4cnc(C(F)F)c(F)c4)n23)cc1,GSVBTZRQXZXKBZ-UHFFFAOYSA-N,4,1,0.404,66,678,441.417,3.625,4,0.455,0.83,1.0,0.21550099376327872,0.27470701117126994,0.6506065382770201,0.4459855390309095,0.3967000205606196
EOS-4-06998,Fc1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1ncno1,WSVOLUVEBVTYBS-UHFFFAOYSA-N,4,1,0.489,37,490,439.357,3.275,5,0.397,0.67,1.0,0.8584658351038311,0.7473014186827497,0.7048523062161607,0.7149441436501953,0.7563909259132342
EOS-4-06999,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1F,JOBCEKNKSJVCCK-UHFFFAOYSA-N,4,1,0.466,90,555,431.79,2.452,4,0.483,0.81,1.0,0.7382033445274484,0.5853180042491947,0.5069477760263176,0.4710866287437461,0.5753889383866767
EOS-4-07000,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)ccn1,XNMMNLJZNMOIDM-UHFFFAOYSA-N,4,1,0.566,72,889,413.416,3.404,5,0.394,0.74,1.0,0.9616972791446782,0.9368960318004249,0.6209735453361661,0.5870056884380783,0.7766431361798369
EOS-4-07002,FCc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)c(Cl)n1,MJIQUKRQSCLWMB-UHFFFAOYSA-N,4,1,0.454,58,262,481.854,3.317,5,0.322,0.59,1.0,0.7990799122746899,0.818081351518059,0.17631587965184017,0.24615345075731615,0.5099076485504763
EOS-4-07003,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ncon1,OGAANEAIEOAVHS-UHFFFAOYSA-N,4,1,0.565,35,325,455.812,3.789,5,0.356,0.59,1.0,0.9027054348571036,0.8736292920293331,0.7573846891919677,0.7745185388253033,0.8270594887259268
EOS-4-07005,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3Cl)n12,UIJCRZWNPFVJJX-UHFFFAOYSA-N,4,1,0.528,37,6,455.816,2.92,5,0.388,0.68,1.0,0.8927506682201357,0.8995613734493866,0.6533136865190871,0.6982900418065932,0.7859789424988006
EOS-4-07007,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)c[nH]1,CTQCYHQQPLYZMY-UHFFFAOYSA-N,4,1,0.563,37,626,433.422,3.785,5,0.41,0.62,1.0,0.8854859159756014,0.7151154821465286,0.7484322527585497,0.6897745185388253,0.7597020423548764
EOS-4-07008,Cc1nc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1-c1ccccn1,QVWMEKHWKIWROU-UHFFFAOYSA-N,4,1,0.426,46,122,432.394,3.204,5,0.39,0.6,0.999,0.6625830991707217,0.5653570694263587,0.35915118908916455,0.33142862038242754,0.4796299945171681
EOS-4-07009,NC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)nc1,RCSDGJTXBZERNN-UHFFFAOYSA-N,4,1,0.384,66,678,411.372,2.499,4,0.479,0.87,1.0,0.4075800150777877,0.392407991227469,0.5838444931807278,0.43947467617024194,0.4558267939140566
EOS-4-07010,Cc1nc(-c2ncco2)ccc1-c1nnc2cncc(Oc3cc(Cl)ccc3Br)n12,WSBIJYPCNZQHNS-UHFFFAOYSA-N,4,1,0.477,13,145,483.713,5.358,5,0.34,0.72,0.992,0.5986824069631965,0.7287283256802138,0.6120039750531149,0.634800561990268,0.6435538174216983
EOS-4-07011,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)ccc1-c1ccsc1,DKJUJROIGULWPK-UHFFFAOYSA-N,4,1,0.517,97,83,451.458,4.781,5,0.346,0.66,1.0,0.7907014598039888,0.7940596943321225,0.8610359125488315,0.7839678568980879,0.8074412308957577
EOS-4-07012,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)n1,OOFXKQCTUAUZPW-UHFFFAOYSA-N,4,1,0.456,24,28,442.386,3.096,5,0.302,0.61,1.0,0.6592505654170379,0.7561339181687341,0.37049379754643275,0.37655918031663355,0.5406093653622095
EOS-4-07013,COc1ccc(F)cc1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)c(F)c3)n12,YXNFOQDVFMBIQZ-UHFFFAOYSA-N,4,1,0.533,47,164,449.421,3.485,5,0.406,0.6,1.0,0.894652525529436,0.7859039819066548,0.7383061476252485,0.6493643341786033,0.7670567473099856
EOS-4-07014,NC(=O)c1ccc(-c2nnc3cncc(CNc4cc(Oc5ccccc5)ccn4)n23)cc1F,NZXLLOHMWUGSBN-UHFFFAOYSA-N,4,1,0.371,79,881,455.453,3.829,5,0.383,0.82,0.999,0.39249366047563566,0.3543451442670139,0.5308152285655541,0.4334349941744911,0.42777225687067366
EOS-4-07015,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)cn2)cn1,BEBHSNHWDNKMIG-UHFFFAOYSA-N,4,1,0.435,7,85,433.382,2.599,5,0.386,0.67,1.0,0.7140617503940785,0.6957542320608594,0.3184925639092591,0.26732232197930234,0.49890771708587484
EOS-4-07016,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5F)n34)ccc2C#N)o1,DBXZSOGZIPDXTJ-UHFFFAOYSA-N,4,1,0.506,43,483,445.389,3.879,5,0.4,0.7,1.0,0.8759766294291002,0.833116304571311,0.832473785210061,0.7977434720032897,0.8348275478034404
EOS-4-07017,COc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)ccc1-c1ccccn1,HWKLINCLLCOROP-UHFFFAOYSA-N,4,1,0.521,11,777,476.899,4.671,5,0.337,0.71,1.0,0.9307449797820574,0.8766277157151668,0.7737817832910698,0.7228000137070797,0.8259886231238435
EOS-4-07018,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)ccc1F,DQBRZFUQAFRAPK-UHFFFAOYSA-N,4,1,0.489,4,702,429.44,3.9,5,0.417,0.71,1.0,0.7382119114522651,0.7815605510246042,0.6506151052018367,0.6082430950585977,0.694657665684326
EOS-4-07019,O=C(NC1CCC(F)(F)CC1)c1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)s1,ICBGADJKIGLCTB-UHFFFAOYSA-N,4,1,0.42,63,345,487.963,5.405,5,0.409,0.75,1.0,0.3790093208142005,0.4386865190871085,0.3705023644712494,0.6434959906791858,0.45792354876293606
EOS-4-07020,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccncn1,YLSGRDGSPIJKEG-UHFFFAOYSA-N,4,1,0.522,35,982,443.442,3.413,5,0.377,0.67,1.0,0.9120776506065382,0.760134672058118,0.6449952025221026,0.5120108285929683,0.7073045884449318
EOS-4-07022,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3nc(Cl)cnc3F)n12,YHUYEWQDIIUTCS-UHFFFAOYSA-N,4,1,0.484,37,0,471.88,4.258,5,0.365,0.65,1.0,0.8126070865602083,0.8793348639572339,0.554699814954424,0.6348091289150847,0.7203627235967377
EOS-4-07023,O=C(NCCO)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,FQQIAUVZSAYXFQ-UHFFFAOYSA-N,4,1,0.805,48,378,439.422,2.413,4,0.437,0.84,1.0,0.6531766157220205,0.1992238366116099,0.702342197244877,0.5932338427797957,0.5369941230895758
EOS-4-07025,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ncncn1,SGQFDFVBIMRKCJ-UHFFFAOYSA-N,4,1,0.531,15,729,444.43,2.808,5,0.35,0.72,1.0,0.92564765951614,0.7689414707696526,0.47213179357137963,0.3377938455212117,0.626128692344596
EOS-4-07026,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cc2F)cs1,NQKSNWLZOBSTNT-UHFFFAOYSA-N,4,1,0.517,88,490,468.464,4.657,5,0.361,0.67,1.0,0.8739205674730999,0.8736378589541498,0.7573932561167843,0.7440802549516825,0.812257984373929
EOS-4-07028,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cnnc(Cl)c5)n34)cc2F)n1,ZSEQLGSRCGVWLH-UHFFFAOYSA-N,4,1,0.484,16,772,448.849,3.718,5,0.4,0.69,1.0,0.9243711877184566,0.8682321293948324,0.5775563703652937,0.5713453498732095,0.735376259337948
EOS-4-07029,CCNCCc1ccc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cn1,CMLVPAGWXUYVLG-UHFFFAOYSA-N,4,1,0.563,90,636,433.903,3.442,4,0.424,0.83,1.0,0.48736378589541496,0.48234356795284766,0.5775649372901104,0.5323058734836543,0.5198945411555068
EOS-4-07030,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)cc1C#N,OUUAAJVNEVKZFV-UHFFFAOYSA-N,4,1,0.511,43,521,443.417,3.921,5,0.409,0.71,1.0,0.8283102597491604,0.7010228908231101,0.9338633404153245,0.9109468165307382,0.8435358268795833
EOS-4-07031,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cc1,MQVNZGBACUAYIZ-UHFFFAOYSA-N,4,1,0.838,48,378,439.878,3.955,4,0.471,0.83,1.0,0.6837948050167911,0.47835138098828045,0.7307672537865808,0.6577427866493044,0.6376640566102392
EOS-4-07032,Fc1cc(-c2nnc3cncc(OCCc4cc(F)c(F)nn4)n23)ccc1-c1nc[nH]n1,SNVNDFLLUAZDJZ-UHFFFAOYSA-N,4,1,0.484,47,164,439.361,2.405,5,0.428,0.62,1.0,0.842659858817079,0.8066273730381742,0.4894112809265986,0.512019395517785,0.6626794770749092
EOS-4-07033,Fc1cccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6cccnn6)ncn5)n34)cc2)c1,KWBCOPDMHDPWPY-UHFFFAOYSA-N,4,1,0.37,93,74,446.449,4.511,6,0.393,0.72,1.0,0.28310259749160444,0.4297169488040573,0.7048608731409773,0.7544548009046672,0.5430338050853265
EOS-4-07034,Fc1ccc(-c2cc(NCc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)nc1,CQHXFEYXAHECGA-UHFFFAOYSA-N,4,1,0.366,46,726,433.838,3.443,5,0.449,0.66,1.0,0.02909327667740388,0.056584538414090876,0.39667431978616957,0.4490353642656432,0.23284687478582689
EOS-4-07035,COc1cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1-c1ccsc1,BGBHSCBYLIOWES-UHFFFAOYSA-N,4,1,0.506,97,83,451.458,4.781,5,0.37,0.62,1.0,0.7851757932972381,0.7429065862517991,0.8438677952162292,0.7815776848742375,0.788381964909876
EOS-4-07036,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccnc(C(F)F)n4)n23)ccc1F,QMMOVORHXHSHBX-UHFFFAOYSA-N,4,1,0.473,27,911,452.4,3.638,5,0.388,0.66,0.999,0.6717325748749229,0.6520800493454869,0.7205040778562127,0.6173240353642656,0.665410184360222
EOS-4-07037,CC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)nc4)n23)cn1,IDUGMYHCFPSNDR-UHFFFAOYSA-N,4,1,0.372,96,204,410.412,4.257,5,0.412,0.83,1.0,0.22379377698581318,0.3496333356178466,0.618086491672949,0.5961380302926461,0.4469129086423137
EOS-4-07038,FCc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4)n23)c(Cl)n1,SEPXJXRLUYTPSS-UHFFFAOYSA-N,4,1,0.484,58,579,462.876,3.783,5,0.36,0.67,1.0,0.7590980741553012,0.8141919676512919,0.22381947776026317,0.2908984990747721,0.522002004660407
EOS-4-07039,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)c(F)c4)n23)nc1,ITEHQSKADGBOLH-UHFFFAOYSA-N,4,1,0.59,4,850,429.44,3.9,5,0.417,0.73,1.0,0.7475584264272497,0.7859125488314714,0.7691984785141526,0.7390000685353986,0.7604173805770681
EOS-4-07040,Cc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3F)n12,DTPXTMQXFHKFHM-UHFFFAOYSA-N,4,1,0.484,58,265,445.433,3.851,5,0.392,0.58,0.989,0.8994071688026866,0.7902131450894387,0.5933537797272291,0.5616304571311083,0.7111511376876156
EOS-4-07041,COc1cc(-c2nnc3cncc(COc4cccc(F)n4)n23)ccc1-c1cncnc1,VAURXACQFSOPOL-UHFFFAOYSA-N,4,1,0.365,14,351,429.415,3.37,5,0.379,0.65,1.0,0.6838033719416079,0.6139143992872319,0.6420567473099856,0.5018932903844836,0.6104169522308273
EOS-4-07042,Fc1ccc(-c2nnc3cncc(OCc4ncc(C(F)F)cn4)n23)cc1F,FDINVUPEGRDCEN-UHFFFAOYSA-N,4,1,0.587,90,255,390.3,3.376,4,0.486,0.75,1.0,0.932946679459941,0.9515112055376602,0.9413508327050922,0.9290401617435405,0.9387122198615585
EOS-4-07043,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5cccnc5)ccn4)n23)ccn1,QFSLLNXTWDGRRE-UHFFFAOYSA-N,4,1,0.461,18,840,413.416,3.404,5,0.394,0.79,1.0,0.7296107189363306,0.6567233225961209,0.586937153039545,0.5713539167980262,0.6361562778425056
EOS-4-07044,COc1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1-c1ccoc1,RTRBPGJERNCGQE-UHFFFAOYSA-N,4,1,0.5,97,103,417.4,4.173,5,0.41,0.72,1.0,0.9256562264409568,0.7151240490713453,0.8405609622369954,0.7440888218764992,0.8063575149064492
EOS-4-07045,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cccc(F)n1,PYASTQJAGLVROD-UHFFFAOYSA-N,4,1,0.511,15,777,443.442,3.413,5,0.353,0.73,1.0,0.9176204509629223,0.7601432389829347,0.5643119045987253,0.45540915632924406,0.6743711877184566
EOS-4-07046,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cc2F)n1,AEGABBKDOIMZSV-UHFFFAOYSA-N,4,1,0.511,37,589,464.411,3.386,5,0.377,0.56,1.0,0.9042988828730039,0.8926478651223357,0.5869457199643616,0.5932424097046124,0.7442837194160784
EOS-4-07048,Fc1cnc(-c2ccnc(-c3cncc4nnc(-c5cnc(Cl)nc5)n34)n2)nc1,UQBXOCGETKSHFI-UHFFFAOYSA-N,4,1,0.293,50,261,406.772,2.288,5,0.415,0.65,0.999,0.27244534301966966,0.41634397916523885,0.13892981975190186,0.22899390034953054,0.2641782605715852
EOS-4-07049,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)ccc2F)s1,SGWLMGJYASYNRY-UHFFFAOYSA-N,4,1,0.529,97,253,436.447,4.475,5,0.378,0.72,1.0,0.8695942704406826,0.7983174559660065,0.7933143718730724,0.7468645055170996,0.8020226509492153
EOS-4-07050,Fc1cc(-c2csnn2)cc(-c2nnc3cncc(OCc4cnc(C(F)F)s4)n23)c1,QTJQKDYIMBIBBG-UHFFFAOYSA-N,4,1,0.5,27,51,461.454,4.422,5,0.37,0.62,1.0,0.44882975807004316,0.5559934206017408,0.6180950585977657,0.5840672332259612,0.5517463676238777
EOS-4-07051,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,KPCXRLOSJKUVHP-UHFFFAOYSA-N,4,1,0.575,11,201,418.457,4.07,5,0.414,0.7,1.0,0.8994157357275032,0.8766362826399835,0.6450037694469193,0.6287608799945171,0.7624541669522307
EOS-4-07052,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccncn1,KWZXKCIZTPWFMU-UHFFFAOYSA-N,4,1,0.528,35,729,443.442,3.413,5,0.353,0.65,1.0,0.9382753066959084,0.7815691179494209,0.635545884449318,0.4952967582756494,0.7126717668425743
EOS-4-07053,O=C(c1ccc(Cc2cncc3nnc(-c4ccnc(Cl)c4)n23)nc1)N1CCC(F)(F)CC1,KHDGYEGXLNNDFM-UHFFFAOYSA-N,4,1,0.389,78,345,469.883,3.697,5,0.423,0.8,0.985,0.1189603180042492,0.13438078267425124,0.09237715029812898,0.34097217462819546,0.17167260640120624
EOS-4-07054,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1F,GJVGQMXAXWTRMD-UHFFFAOYSA-N,4,1,0.679,48,378,439.878,3.955,4,0.471,0.85,1.0,0.7325234733739977,0.5237389486669864,0.6756305256665067,0.6549756699335206,0.6467171544102529
EOS-4-07055,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Br)cc4F)n23)c(F)c1,ARTCHIDMVQJDEE-UHFFFAOYSA-N,4,1,0.407,0,999,470.277,4.391,5,0.48,0.88,1.0,0.3468747858268796,0.4650212459735453,0.728231444040847,0.8351723665273113,0.5938249605921458
EOS-4-07056,Fc1cc(-c2nnc3cncc(OCCc4cnc(Cl)nc4F)n23)ccc1-c1csnn1,FJYURFSTQDWKQR-UHFFFAOYSA-N,4,1,0.545,37,832,472.868,3.653,5,0.272,0.64,1.0,0.6958998697827428,0.7940682612569392,0.5512045096292235,0.6082516619834144,0.66235607566308
EOS-4-07058,Fc1cnc(Cl)nc1COc1cncc2nnc(-c3cc(Cl)nc(-c4cscn4)c3)n12,WLIXMAQPRIQIFW-UHFFFAOYSA-N,4,1,0.473,24,486,475.296,4.125,5,0.276,0.67,0.999,0.6838119388664246,0.7059146048934275,0.4721403604961963,0.564834487012542,0.6066753478171476
EOS-4-07059,COC(=O)c1ccc(-c2nnc3cncc(-c4nc(C5CC5)nn4CC(F)(F)F)n23)cc1,YLDZJTMVPYBBER-UHFFFAOYSA-N,4,1,0.326,66,792,443.389,3.276,5,0.437,0.82,0.989,0.24040504420533204,0.2335857720512645,0.12413474059351655,0.16921389897882255,0.19183486395723393
EOS-4-07060,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cccnc1,RAYYHMMPQOCQQR-UHFFFAOYSA-N,4,1,0.544,35,103,458.909,4.532,5,0.331,0.72,1.0,0.8979422246590364,0.8435422520731958,0.7509166609553835,0.6870673702967582,0.7948671269960934
EOS-4-07061,Fc1ccc(-n2cccn2)c(COc2cncc3nnc(-c4ccnc(-c5ncccn5)c4)n23)c1,PSYKUNUBTNAURE-UHFFFAOYSA-N,4,1,0.484,6,247,465.452,3.547,6,0.367,0.6,1.0,0.44883832499485987,0.3255774107326434,0.46885066136659587,0.4394832430950586,0.42068741004728943
EOS-4-07062,Cc1nc(-c2nnc3cncc(OCc4cnc(C#N)c(F)c4)n23)ccc1-c1ncccn1,IFHSZUKAJHSBDV-UHFFFAOYSA-N,4,1,0.436,46,242,439.414,2.937,5,0.406,0.61,1.0,0.82563737920636,0.6664896168871222,0.3856401206223014,0.31874957165375917,0.5491291720923857
EOS-4-07063,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsn5)cc4F)n23)ccn1,ZHEWKZSQMHFDGI-UHFFFAOYSA-N,4,1,0.57,35,626,437.435,3.605,5,0.375,0.63,1.0,0.8739291343979165,0.8220307038585429,0.6644421218559385,0.6606983757110547,0.7552750839558632
EOS-4-07065,COC(OC)c1cc(-c2nnc3cncc(Cc4cnc(CF)cn4)n23)ccc1C#N,RTHNHKAQJQITQD-UHFFFAOYSA-N,4,1,0.365,66,5,419.42,2.805,4,0.421,0.63,0.993,0.36510520183674866,0.30547940511274074,0.7956360084983894,0.6577513535741211,0.5309929922554999
EOS-4-07067,Cc1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1cnnn1C,XVUZPMFOLJEXDQ-UHFFFAOYSA-N,4,1,0.46,13,724,453.84,4.619,5,0.395,0.68,1.0,0.5537574532245905,0.627501542046467,0.8595966691796313,0.85024158727983,0.7227743129326297
EOS-4-07068,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5ncsn5)cc4F)n23)c1,JLFHPFLAFYDARM-UHFFFAOYSA-N,4,1,0.524,73,71,441.398,3.701,5,0.384,0.74,1.0,0.6412343225275855,0.7382204783770817,0.7255585634980467,0.7364728257144816,0.7103715475292989
EOS-4-07069,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)ccc2F)cs1,XKJCTVOXTPMYCK-UHFFFAOYSA-N,4,1,0.529,97,666,436.447,4.475,5,0.378,0.73,1.0,0.867392570762799,0.8066359399629909,0.7831368651908711,0.7364813926392982,0.7984116921389899
EOS-4-07070,FC(F)c1cnc(COc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)cn1,AHMHTFJDEHYWID-UHFFFAOYSA-N,4,1,0.46,7,535,433.382,2.95,5,0.398,0.62,1.0,0.5811287780138441,0.5994791309711466,0.5138784182030018,0.4014974984579535,0.5239959564114864
EOS-4-07071,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cncc(-c4ncon4)c3)n12,MGZVQAICDYIAHF-UHFFFAOYSA-N,4,1,0.512,2,131,423.795,3.608,5,0.422,0.69,1.0,0.6686056473168391,0.6187547118086492,0.7205126447810294,0.7468730724419163,0.6886865190871085
EOS-4-07072,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)nc1,GWBMCUOKODNVLF-UHFFFAOYSA-N,4,1,0.436,90,683,428.374,2.743,4,0.487,0.8,0.998,0.497318552532383,0.23359433897608115,0.6091083544650813,0.5551966965937907,0.47380448564183403
EOS-4-07073,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)c(F)c4)n23)cc1F,KBEYQRWYZFIETD-UHFFFAOYSA-N,4,1,0.374,0,21,447.489,5.061,5,0.44,0.88,1.0,0.2209152902474128,0.24431156192173256,0.033599479130971145,0.27282228771160305,0.1929121547529299
EOS-4-07074,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ccc(-c5cncnn5)nc4)n23)cc1,BSMAVTLXENEXIZ-UHFFFAOYSA-N,4,1,0.31,10,543,449.413,2.696,6,0.395,0.61,0.992,0.20743095058597766,0.285227194846138,0.26316736344321845,0.36364882461791515,0.27986858337331233
EOS-4-07075,COc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)nc1,QTRJMXREXWWFEX-UHFFFAOYSA-N,4,1,0.552,75,359,444.43,2.808,5,0.374,0.62,1.0,0.8541909396203139,0.6860307723939415,0.37834110067850046,0.285021588650538,0.5508961003358235
EOS-4-07076,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4Cl)n23)c1F,QAEJKBUTWJIDLT-UHFFFAOYSA-N,4,1,0.528,37,6,455.816,2.92,5,0.388,0.62,1.0,0.8696028373654993,0.8926564320471524,0.6533222534439038,0.6929699814954424,0.7771378760879994
EOS-4-07077,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cc1F,WTLPGLAKDWMDCB-UHFFFAOYSA-N,4,1,0.538,90,133,444.829,3.099,4,0.491,0.8,1.0,0.704895140840244,0.5747292851757932,0.717582756493729,0.6783633746830238,0.6688926392981975
EOS-4-07078,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccs5)nc4Cl)n23)ccn1,HXEIGPZKKUEDMU-UHFFFAOYSA-N,4,1,0.542,58,28,452.902,4.724,5,0.347,0.66,1.0,0.9105527379891714,0.9307278459324241,0.6388869851278185,0.6752792817490234,0.7888617126996093
EOS-4-07080,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cnsn5)nc4F)n23)nc1C(F)F,FNFAGYPGHNLHLJ-UHFFFAOYSA-N,4,1,0.462,27,354,474.403,3.895,5,0.27,0.63,0.981,0.6560465355356041,0.7644524021657186,0.7073795490370777,0.652208553217737,0.6950217599890343
EOS-4-07081,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(C#N)c4)n23)cc1Cl,UKBULQAYZYSOOW-UHFFFAOYSA-N,4,1,0.385,61,129,406.808,3.482,4,0.562,0.86,1.0,0.4513912685902269,0.465029812898362,0.9025597971352204,0.8980621616064698,0.6792607600575697
EOS-4-07082,COc1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1-c1ccsc1,LJULZPCLQSLSIF-UHFFFAOYSA-N,4,1,0.462,16,83,452.446,4.176,5,0.357,0.56,1.0,0.8204629566170927,0.7859211157562881,0.6863648824617915,0.593250976629429,0.7214999828661504
EOS-4-07083,Fc1cc(F)c(F)c(COc2cncc3nnc(-c4ccc(-c5cncs5)nn4)n23)c1,ZOXKCRLNCZXHOC-UHFFFAOYSA-N,4,1,0.453,54,445,441.398,3.701,5,0.384,0.62,0.95,0.6686142142416558,0.6520886162703036,0.7692070454389692,0.7815862517990542,0.7178740319374957
EOS-4-07084,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3nc(Cl)cnc3F)n12,NSECNBLBJKLGLK-UHFFFAOYSA-N,4,1,0.447,58,143,471.88,4.258,5,0.342,0.6,1.0,0.809959906791858,0.8364060037009116,0.4582876430676444,0.5484973613871564,0.6632877287368926
EOS-4-07085,Fc1cc(OCc2cncc3nnc(-c4cc(-c5cnc(Cl)nn5)ncn4)n23)ccn1,MKMFVSMBAFNBRF-UHFFFAOYSA-N,4,1,0.305,50,920,436.798,2.2,5,0.378,0.52,0.954,0.467531354944829,0.4562744157357275,0.24912617366869988,0.29090706599958877,0.36595975258721125
EOS-4-07086,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2)nc1,HKDBKXDQLBTGGS-UHFFFAOYSA-N,4,1,0.593,35,729,443.442,3.413,5,0.353,0.76,1.0,0.9635905695291618,0.9202761976560894,0.5547083818792407,0.42715543828387365,0.7164326468370913
EOS-4-07087,Clc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cnsc1,OMUOYARMQUCHHR-UHFFFAOYSA-N,4,1,0.649,35,234,434.912,4.585,5,0.389,0.7,1.0,0.804725515728874,0.8435508189980124,0.6781749023370571,0.714952710575012,0.7603509869097388
EOS-4-07088,O=c1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c(Cl)c2)[nH]o1,VWROIDKKEXJCBA-UHFFFAOYSA-N,4,1,0.544,37,626,453.821,2.944,5,0.389,0.69,1.0,0.5986909738880132,0.57473785210061,0.5547169488040573,0.5775820711397437,0.576431961483106
EOS-4-07089,Fc1ccnc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)c1,URGHJNISSOETTN-UHFFFAOYSA-N,4,1,0.548,73,930,434.822,3.41,5,0.414,0.69,1.0,0.629540470152834,0.810294016859708,0.4862243848947982,0.532314440408471,0.6145933280789528
EOS-4-07091,COc1cc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)ccc1-c1cccnn1,OGLRVBMGJJAMPB-UHFFFAOYSA-N,4,1,0.473,72,925,447.405,3.509,5,0.39,0.65,1.0,0.8099684737166747,0.7010314577479269,0.7282400109656638,0.6348176958399013,0.7185144095675416
EOS-4-07092,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnnc(Cl)c5)n34)ccn2)cn1,XVFXPYMYCSNJLA-UHFFFAOYSA-N,4,1,0.495,75,525,448.849,3.452,5,0.364,0.68,1.0,0.8816993352066342,0.8871650332396683,0.5805376602014941,0.6114042903159482,0.7402015797409363
EOS-4-07093,COc1cc(-c2nnc3cncc(OCCc4cnc(F)o4)n23)ccc1-c1cccnc1,SMQQULFJPLIOQR-UHFFFAOYSA-N,4,1,0.522,35,103,432.415,3.611,5,0.385,0.66,1.0,0.8892039613460352,0.8025666506750737,0.5643204715235419,0.4427129737509424,0.6747010143238983
EOS-4-07094,Fc1cc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5ncco5)c4)n23)ccn1,BWZQJPOYYDPYKM-UHFFFAOYSA-N,4,1,0.53,58,578,437.822,3.65,5,0.371,0.6,1.0,0.8305205263518607,0.7242049893770133,0.5377030361181551,0.5454047015283394,0.6594583133438421
EOS-4-07095,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4Cl)n23)ncc1Cl,QRKYSPOHRKUPOF-UHFFFAOYSA-N,4,1,0.517,37,832,472.267,4.304,5,0.36,0.71,1.0,0.8231701048591598,0.8066445068878075,0.7459221437872661,0.8042286340895072,0.7949913474059351
EOS-4-07096,N#Cc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccsc1,VMEGAFNHACKXHX-UHFFFAOYSA-N,4,1,0.566,97,744,444.907,5.019,5,0.378,0.67,1.0,0.7736618463436364,0.8142005345761085,0.8638458638886986,0.8732095127133165,0.83122943938044
EOS-4-07097,CCn1c(Cc2cncc3nnc(-c4cccc(F)c4F)n23)cnc1C(C)(O)C1CCOCC1,XRHZXZGVBDUFEC-UHFFFAOYSA-N,4,1,0.359,78,751,468.508,3.511,5,0.466,0.48,1.0,0.1405918031663354,0.16866561579055583,0.17632444657665686,0.3409807415530121,0.20664065177164004
EOS-4-07098,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1csnn1,HPJUIOKTAZIGHO-UHFFFAOYSA-N,4,1,0.565,37,265,471.88,4.258,5,0.365,0.65,1.0,0.7765660338564869,0.8220392707833596,0.7956445754232061,0.8351809334521281,0.8073577033787951
EOS-4-07099,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C(F)(F)F)cn4)n23)cc1,ULQNMYVGUNMAJI-UHFFFAOYSA-N,4,1,0.36,66,437,413.363,3.017,4,0.552,0.87,1.0,0.2155095606880954,0.23906860393393187,0.8060276883010075,0.6259337948050168,0.4716349119320129
EOS-4-07100,COc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5cnsc5)c(OC)c4)n23)c1,MZNLGGUZNYFDIS-UHFFFAOYSA-N,4,1,0.542,97,103,463.494,4.65,5,0.347,0.59,1.0,0.7851843602220547,0.7151326159961621,0.8391302857926118,0.6870759372215749,0.7566307998081008
EOS-4-07101,Fc1ncccc1COc1cncc2nnc(-c3ccc(-c4cnsc4)nc3Cl)n12,MTZUUXSXZNOWEA-UHFFFAOYSA-N,4,1,0.476,55,143,439.863,4.076,5,0.381,0.68,1.0,0.6988468919196765,0.7059231718182442,0.6091169213898979,0.6408059762867521,0.6636732403536427
EOS-4-07102,Fc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1nsc(C(F)(F)F)n1,SIGFWKVVPYLJNR-UHFFFAOYSA-N,4,1,0.506,27,795,488.43,3.879,5,0.332,0.6,1.0,0.7562966897402509,0.8258172846275101,0.5965835103831129,0.4769806730176136,0.6639195394421218
EOS-4-07103,N#Cc1cc(-c2cscn2)cc(-c2nnc3cncc(OCCc4cccnc4F)n23)c1,KBONCWMBQMFPMZ-UHFFFAOYSA-N,4,1,0.534,11,201,443.467,3.942,5,0.366,0.68,1.0,0.9043074497978206,0.8142091015009252,0.720521211705846,0.689783085463642,0.7822052121170584
EOS-4-07104,N#Cc1cc(-c2ccc(-c3nnc4cncc(Br)n34)cn2)ccc1F,VEZMWNJSKSCFIO-UHFFFAOYSA-N,4,1,0.554,90,861,395.195,3.627,4,0.518,0.85,1.0,0.3790178877390172,0.5098605304639846,0.9036820642862038,0.9163953807141388,0.6772389658008361
EOS-4-07105,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cc(F)c(-c5nnco5)cc4F)n23)cc1F,DHYXEEVGGIICGX-UHFFFAOYSA-N,4,1,0.33,45,188,477.406,3.818,6,0.41,0.69,1.0,0.2831111644164211,0.3496419025426633,0.6091254883147146,0.7010742923720101,0.4857382119114523
EOS-4-07107,Fc1nc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,HJRXCSXMCBJFIO-UHFFFAOYSA-N,4,1,0.518,53,202,415.392,2.194,5,0.385,0.61,1.0,0.7475669933520663,0.7902217120142554,0.3185011308340758,0.3030378315399904,0.5398319169350969
EOS-4-07108,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncno5)cc4)n23)c(F)c1,WIFBAJIFBYEIGQ-UHFFFAOYSA-N,4,1,0.556,43,230,413.372,3.431,5,0.43,0.73,1.0,0.9268555959152902,0.7983260228908231,0.8374169008292783,0.7932715372489891,0.8389675142210952
EOS-4-07109,CCn1c(Cc2cncc3nnc(-c4ccc(CO)cc4Cl)n23)cnc1C(C)(C)C,LKIFIIKWRUFAHN-UHFFFAOYSA-N,4,1,0.333,78,9,424.936,4.042,4,0.522,0.64,0.998,0.2293708450414639,0.29048728668357204,0.2670310465355356,0.1884723459666918,0.24384038105681585
EOS-4-07110,Fc1ccnc(F)c1COc1cncc2nnc(-c3cncc(-c4cncs4)c3)n12,SETQKXKLOAFHML-UHFFFAOYSA-N,4,1,0.47,2,419,423.408,3.562,5,0.399,0.6,1.0,0.6898002193132753,0.5800664793365773,0.6889777945308752,0.6664724830374888,0.6563292440545542
EOS-4-07111,Cc1cnc(-c2ccccn2)cc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,RZSVWDKOUYQKRU-UHFFFAOYSA-N,4,1,0.433,24,912,429.871,4.184,5,0.387,0.74,1.0,0.6838205057912412,0.5948529915701459,0.5643290384483586,0.5518213282160236,0.5987059660064423
EOS-4-07112,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,INKQIDFFYJSLPQ-UHFFFAOYSA-N,4,1,0.5,4,208,438.875,4.681,5,0.396,0.66,1.0,0.7534524707011171,0.8066530738126242,0.7410475635665822,0.7955674730998561,0.774180145295045
EOS-4-07113,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ccn4)n23)cn1,WPDQINDCQVRCMT-UHFFFAOYSA-N,4,1,0.5,18,181,413.416,3.404,5,0.394,0.72,1.0,0.6988554588444932,0.5560019875265575,0.5102032074566514,0.49218696456719896,0.5643119045987253
EOS-4-07114,N#Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(COC(F)F)nc5)n34)ncn2)cn1,ARUJQXAZSYRZDS-UHFFFAOYSA-N,4,1,0.444,7,354,488.418,2.623,5,0.317,0.53,1.0,0.7234339661435131,0.6761359742306902,0.6209821122609828,0.5084983894181344,0.6322626105133301
EOS-4-07115,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccncc5)ccn4)n23)ccn1,NQOHQKWMXSOADM-UHFFFAOYSA-N,4,1,0.506,18,840,413.416,3.404,5,0.394,0.79,1.0,0.6779350284421904,0.5747464190254267,0.6029658693715304,0.5809660064423274,0.6091533308203687
EOS-4-07116,Fc1cncc(F)c1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,KXQUKUMRXXPHAS-UHFFFAOYSA-N,4,1,0.543,58,559,455.425,3.744,5,0.36,0.59,1.0,0.8354550750462614,0.862415187444315,0.577573504214927,0.5900555136728121,0.716374820094579
EOS-4-07118,FCc1cc(-c2cc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cnn2)cc(F)n1,PRGFQJAYYDGPNR-UHFFFAOYSA-N,4,1,0.394,7,94,467.827,3.274,5,0.347,0.46,0.976,0.5588719073401411,0.6229867726680831,0.5138869851278185,0.5287420327599205,0.5561219244739908
EOS-4-07119,Cc1ncc(-c2ccc(-c3cncc4nnc(-c5cnc(-c6cncc(F)c6)nc5)n34)c(F)c2)o1,WYBZSSLEZQDBQC-UHFFFAOYSA-N,4,1,0.314,42,106,468.427,4.552,6,0.371,0.69,1.0,0.38589712836680146,0.5011222671509835,0.6972448769789596,0.6843088205057912,0.567143273250634
EOS-4-07120,Cc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccnc(CF)c3F)n12,SHLIAFISUBYPAJ-UHFFFAOYSA-N,4,1,0.452,24,786,445.433,4.139,5,0.388,0.61,0.992,0.6898087862380919,0.632401823041601,0.5207062572818861,0.4647128366801453,0.5769074258104311
EOS-4-07121,Fc1nc(-c2csc(Cl)n2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,ICPWYOCXQOGEOC-UHFFFAOYSA-N,4,1,0.537,24,28,474.308,4.73,5,0.34,0.59,0.999,0.7049037077650606,0.8180899184428757,0.6209906791857994,0.6982986087314098,0.7105707285312863
EOS-4-07122,Fc1cc(-c2cccc(Cl)c2)ccc1-c1nnc2cncc(-c3cn(-c4ccsc4)nn3)n12,NLCPFEBCGRFJNI-UHFFFAOYSA-N,4,1,0.354,3,783,473.924,5.56,6,0.335,0.68,1.0,0.04552463847577274,0.29049585360838875,0.8125042834624083,0.8897608114591187,0.5095713967514222
EOS-4-07123,Oc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccsn1,VQFZQNIIJLHKDT-UHFFFAOYSA-N,4,1,0.529,11,201,434.456,3.776,5,0.406,0.49,1.0,0.8047340826536906,0.7516705503392502,0.5999160441367967,0.5485059283119731,0.6762066513604277
EOS-4-07124,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cc(C#N)ccn5)n34)cc2F)n1,QGCODLDFHITNKQ-UHFFFAOYSA-N,4,1,0.534,4,677,438.426,3.542,5,0.409,0.71,1.0,0.8305290932766775,0.8469690219998629,0.6672349393461723,0.5990336508806798,0.7359416763758481
EOS-4-07125,CC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)c(F)c1,JLSQFIRUALBUFO-UHFFFAOYSA-N,4,1,0.411,0,21,447.445,4.175,5,0.439,0.75,1.0,0.14915872798300323,0.22380234391062984,0.09026111986841204,0.2581814131999178,0.1803509012404907
EOS-4-07126,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1cscn1,CMGDBPVXZXRNIO-UHFFFAOYSA-N,4,1,0.478,97,383,468.901,4.69,5,0.334,0.71,1.0,0.9163097114659722,0.777285655541087,0.802198272907957,0.7255157288739634,0.8053273421972449
EOS-4-07127,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)cn1,XOFZFFKERJGVSS-UHFFFAOYSA-N,4,1,0.473,24,786,447.861,4.323,5,0.396,0.67,1.0,0.7534610376259337,0.8025752175998904,0.6091340552395312,0.6173326022890823,0.6956257281886095
EOS-4-07128,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)ccc1F,RZOWLPYKYRQPKA-UHFFFAOYSA-N,4,1,0.634,88,325,445.389,3.613,5,0.389,0.69,1.0,0.952290795695977,0.8793434308820506,0.8580032211637311,0.8310773764649442,0.8801787060516757
EOS-4-07129,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(C#N)c4)n23)cc1F,DBCFHIMCWOQDAE-UHFFFAOYSA-N,4,1,0.575,89,230,438.382,3.303,5,0.404,0.66,1.0,0.8854944829004181,0.7473099856075663,0.8709906791857994,0.8290298814337606,0.8332062572818861
EOS-4-07130,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC)c(Cl)c4)n23)cc1F,VOSQYYFKGYMIMS-UHFFFAOYSA-N,4,1,0.382,0,682,466.904,3.75,4,0.45,0.87,1.0,0.3882273319169351,0.4429442807209924,0.48941984785141524,0.42087588239325613,0.4353668357206497
EOS-4-07131,Fc1cccnc1CCOc1cncc2nnc(-c3ccnc(-c4ccccn4)c3)n12,WFHQYTVJLYTGBV-UHFFFAOYSA-N,4,1,0.529,24,583,413.416,3.404,5,0.421,0.69,1.0,0.7651377561510521,0.6957627989856761,0.4106641080117881,0.41743197861695563,0.572249160441368
EOS-4-07132,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)ccn1,QIHIKWBJYGTTAA-UHFFFAOYSA-N,4,1,0.539,65,324,414.404,2.799,5,0.391,0.74,1.0,0.8472688643684463,0.8793519978068672,0.44032280172709204,0.39534644643958605,0.6405725275854979
EOS-4-07133,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(Cl)ccc4F)n23)cc1,YTFRIAYZYYFRPS-UHFFFAOYSA-N,4,1,0.561,43,520,449.877,4.441,5,0.381,0.65,1.0,0.8472774312932629,0.8103025837845247,0.6944606264135426,0.7255242957987801,0.7693912343225277
EOS-4-07134,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)cnc4F)n23)cc1F,QODFMYDPXWGEHW-UHFFFAOYSA-N,4,1,0.545,37,353,451.412,3.626,5,0.367,0.62,1.0,0.9243797546432733,0.892664998971969,0.7737903502158865,0.7416386813789322,0.8331184463025152
EOS-4-07135,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cc(-c4cnsc4)cnn3)n12,UABFLWUXTFGYEX-UHFFFAOYSA-N,4,1,0.443,54,511,439.863,4.076,5,0.407,0.63,1.0,0.5460386539647728,0.5419522308272222,0.7383147145500651,0.7886368309231718,0.653735607566308
EOS-4-07136,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5ncccn5)n4)n23)cn1,YFGVHFSETGOYRI-UHFFFAOYSA-N,4,1,0.483,55,390,451.277,3.924,5,0.371,0.59,1.0,0.6295490370776506,0.8400555136728121,0.43286101021177437,0.5323230073332876,0.6086971420738811
EOS-4-07137,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1F,HPFTWSOQFFSYHW-UHFFFAOYSA-N,4,1,0.542,34,607,437.385,3.583,5,0.418,0.66,1.0,0.7623706394352683,0.7644609690905353,0.8486909738880132,0.8449729285175793,0.8051238777328491
EOS-4-07138,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)c(F)n5)n34)cc2F)cs1,UBXREMYZYNULRX-UHFFFAOYSA-N,4,1,0.511,11,639,468.464,4.657,5,0.338,0.73,1.0,0.8836183263655678,0.8897351106846686,0.7645723391131519,0.7309043245836474,0.8172075251867589
EOS-4-07139,Fc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3ncncc3F)n12,WVKOBWZWHZOUNN-UHFFFAOYSA-N,4,1,0.489,37,0,421.367,3.136,5,0.412,0.67,1.0,0.8150486601329586,0.6761445411555068,0.5444452059488726,0.5552052635186073,0.6477109176889864
EOS-4-07141,Fc1cc(-c2cnco2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,SVQDNAAGLYITFN-UHFFFAOYSA-N,4,1,0.628,35,234,402.389,3.602,5,0.428,0.76,1.0,0.8927592351449524,0.8066616407374408,0.6592248646425879,0.6230553080666164,0.7454252621478994
EOS-4-07142,CC(F)(F)c1cnc(-c2cncc3nnc(-c4ccc(C(=O)NCCC#N)c(F)c4)n23)nc1,SIWGLLYZTLEKOK-UHFFFAOYSA-N,4,1,0.322,63,306,452.4,3.143,4,0.446,0.77,1.0,0.20462956617092729,0.30055342334315677,0.7892879172092385,0.672323692687273,0.4916986498526489
EOS-4-07143,Clc1cncc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1,PLLNELPUJZWOHV-UHFFFAOYSA-N,4,1,0.55,97,409,420.885,4.542,5,0.415,0.75,1.0,0.835463641971078,0.7731135631553697,0.6972534439037763,0.7149612774998286,0.7551979816325132
EOS-4-07144,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4Cl)n23)nn1,ZSCCROHSPNCVSL-UHFFFAOYSA-N,4,1,0.477,72,820,472.868,4.27,5,0.361,0.63,1.0,0.5175022274004524,0.7151411829209787,0.6998320882735933,0.6983071756562265,0.6576956685628127
EOS-4-07145,N#Cc1ncc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)cc1F,LYKQLRNTELLYEX-UHFFFAOYSA-N,4,1,0.512,24,912,430.428,3.295,5,0.417,0.63,1.0,0.7414759098074155,0.6275101089712837,0.5711311767527928,0.5053200603111507,0.6113593139606606
EOS-4-07146,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)c1,WXXOJHCXDYMBBG-UHFFFAOYSA-N,4,1,0.645,91,781,452.902,4.724,5,0.371,0.69,1.0,0.7382204783770817,0.8897436776094853,0.7933229387978891,0.8290384483585772,0.8125813857857583
EOS-4-07147,CCc1nc(-c2nnc3cncc(COc4ccncc4F)n23)ccc1-c1cnc(F)cn1,IANCNSPUQLNUNF-UHFFFAOYSA-N,4,1,0.327,85,920,446.421,3.458,5,0.391,0.6,0.999,0.5560362552258241,0.541960797752039,0.4218353779727229,0.38583715989308476,0.4764173977109177
EOS-4-07148,Fc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,YBLJMUFFQADZKO-UHFFFAOYSA-N,4,1,0.523,4,338,434.822,3.41,5,0.387,0.68,0.994,0.6592591323418545,0.7772942224659036,0.510211774381468,0.555213830443424,0.6254947399081625
EOS-4-07149,Cc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,JBWZPBXPHZPZKN-UHFFFAOYSA-N,4,1,0.505,58,698,445.433,3.851,5,0.367,0.64,0.996,0.8541995065451305,0.8220478377081762,0.5805462271263108,0.5287505996847371,0.6963860427660886
EOS-4-07150,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ncc(Cl)cc4F)n23)cc1F,AZFWPCINIWNCEK-UHFFFAOYSA-N,4,1,0.522,90,133,444.829,3.099,4,0.491,0.8,1.0,0.7623792063600849,0.5747549859502433,0.6477537523130698,0.6259423617298334,0.6527075765883079
EOS-4-07151,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,ZPSUNIUSLBKHKM-UHFFFAOYSA-N,4,1,0.575,35,201,418.457,4.07,5,0.414,0.74,1.0,0.897950791583853,0.8736464258789665,0.6506236721266534,0.6259509286546501,0.7620429545610308
EOS-4-07152,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncsn5)cc4F)n23)c(F)c1,JPZAYCNOPGIBLA-UHFFFAOYSA-N,4,1,0.512,73,526,441.398,3.701,5,0.411,0.65,1.0,0.6748081008841066,0.7242135563018299,0.709923925707628,0.7309128915084642,0.7099646186005073
EOS-4-07153,Fc1ccc2c(n1)OC(COc1cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n13)O2,ZFDOEAUUOKYTSU-UHFFFAOYSA-N,4,1,0.42,47,164,450.365,2.426,6,0.402,0.51,1.0,0.8994243026523199,0.8435593859228291,0.6889863614556919,0.5900640805976287,0.7555085326571174
EOS-4-07154,Cc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3cc(F)cnc3Cl)n12,YTUWHGIYFVQQCH-UHFFFAOYSA-N,4,1,0.484,58,28,461.888,4.366,5,0.347,0.69,0.998,0.912086217531355,0.9042132136248372,0.5377116030429717,0.5616390240559249,0.7289125145637722
EOS-4-07155,Cc1coc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)n1,JIVQXFRZWYVWEE-UHFFFAOYSA-N,4,1,0.581,11,595,434.406,4.049,5,0.372,0.72,1.0,0.9230690151463231,0.802583784524707,0.712553971626345,0.6435045576040025,0.7704278322253444
EOS-4-07156,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c(F)c1,COSFDOMMMNQNJE-UHFFFAOYSA-N,4,1,0.5,24,28,441.398,3.701,5,0.384,0.58,0.999,0.6656586251799054,0.7601518059077513,0.5775820711397437,0.5932595435542458,0.6491630114454116
EOS-4-07157,Clc1cnccc1CCOc1cncc2nnc(-c3cccc(-c4cscn4)c3)n12,UNVIEECCJDHZFZ-UHFFFAOYSA-N,4,1,0.565,35,161,434.912,4.585,5,0.389,0.76,1.0,0.7234425330683298,0.7815776848742375,0.6324960592145843,0.669410938249606,0.7017318038516894
EOS-4-07158,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,JHCPMWYQVZLXQD-UHFFFAOYSA-N,4,1,0.512,58,698,471.88,4.258,5,0.342,0.57,1.0,0.7907100267288054,0.8736549928037831,0.6644506887807553,0.6897916523884586,0.7546518401754505
EOS-4-07160,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncon5)c4F)n23)c1F,NWIOONIKFWCLCF-UHFFFAOYSA-N,4,1,0.466,73,606,439.357,3.541,5,0.41,0.57,1.0,0.8305376602014941,0.7010400246727435,0.7436262079363991,0.7065913919539442,0.7454488211911452
EOS-4-07161,Cc1cc(Cl)c(Cl)cc1-c1nnc2cncc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,AEWWMKDDNPAUEW-UHFFFAOYSA-N,4,1,0.367,0,188,456.308,5.105,5,0.464,0.86,0.999,0.35115824823521347,0.4871667466246316,0.7831454321156878,0.8910458501816189,0.6281290692892879
EOS-4-07162,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5(C)CC5)c(F)c4)n23)c(F)c1F,IAFDYHJCTYQTOF-UHFFFAOYSA-N,4,1,0.321,0,129,480.45,3.518,5,0.455,0.69,1.0,0.38823589884175175,0.43438592282914124,0.4927866493043657,0.5423034747447056,0.46442798642999106
EOS-4-07163,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccsc3)n12,MWGUIWYTJPGSGO-UHFFFAOYSA-N,4,1,0.531,35,143,423.498,4.737,5,0.369,0.71,1.0,0.7651463230758687,0.760160372832568,0.5275769309848537,0.5323315742581043,0.6463038002878487
EOS-4-07164,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c1,XPZBQTPWJSVZAQ-UHFFFAOYSA-N,4,1,0.59,97,109,403.442,4.633,5,0.428,0.84,1.0,0.8496676033171133,0.7859296826811047,0.7933315057227058,0.7932801041738058,0.8055522239736824
EOS-4-07165,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(F)nc5)cn4)n23)c(F)c1F,HVZDZAALCSGILS-UHFFFAOYSA-N,4,1,0.322,50,845,463.383,2.482,5,0.403,0.72,1.0,0.32223631005414294,0.37845247070111715,0.590106915221712,0.5085069563429512,0.44982566307998084
EOS-4-07166,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(F)c(-n5ccnc5)n4)n23)ccc1Cl,WBVDSQQGFBEYCF-UHFFFAOYSA-N,4,1,0.5,37,563,460.86,3.658,5,0.38,0.67,0.999,0.7080734699472278,0.7983345898156398,0.7255671304228634,0.7468816393667329,0.744714207388116
EOS-4-07167,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCCc5cc(F)ncc5F)n34)cc2F)n1,BLMVJRMHTVVHMS-UHFFFAOYSA-N,4,1,0.533,37,626,452.4,3.319,5,0.394,0.61,1.0,0.8674011376876156,0.8562727023507641,0.7023507641696937,0.6723322596120896,0.7745892159550407
EOS-4-07168,Fc1cc(-c2nnc3cncc(OCCc4ncncc4F)n23)ccc1-c1ncco1,HJNSIJXXPIFXSG-UHFFFAOYSA-N,4,1,0.5,37,490,421.367,3.136,5,0.412,0.66,1.0,0.8759851963539168,0.6860393393187582,0.5102203413062847,0.5053286272359674,0.6443933760537317
EOS-4-07169,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc(Cl)c1F,CMRCSRMWPZKEPI-UHFFFAOYSA-N,4,1,0.353,0,188,450.836,4.154,5,0.503,0.89,1.0,0.37198444246453294,0.4823521348776643,0.8638544308135152,0.9186484819409225,0.6592098725241587
EOS-4-07170,Cc1nc(F)cnc1-c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccnc4)n23)nc1,FDONETGZAPJBGD-UHFFFAOYSA-N,4,1,0.295,86,449,462.452,3.61,6,0.387,0.73,0.74,0.24041361113014872,0.2696353916798026,0.21347063258172846,0.24045644575423206,0.24099402028647798
EOS-4-07171,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cn1,ZRJWBGVOZROLQT-UHFFFAOYSA-N,4,1,0.404,63,364,453.428,3.315,5,0.481,0.73,1.0,0.2074395175107943,0.3690117195531492,0.44750188472345964,0.38946096909053524,0.3533535227194846
EOS-4-07172,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ncccc3F)n12,LVRAMLNXSRRXEZ-UHFFFAOYSA-N,4,1,0.512,11,0,436.447,4.21,5,0.397,0.73,1.0,0.7793845521211706,0.8296638338701939,0.6621376190802549,0.6812161606469742,0.7381005414296484
EOS-4-07173,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cnc(C(F)F)s4)n23)ccc1F,VNTCZHXRTKDCDC-UHFFFAOYSA-N,4,1,0.529,26,911,457.441,4.304,5,0.378,0.67,0.996,0.6838290727160579,0.6910424234116921,0.7359159756013981,0.6493729011034199,0.690040093208142
EOS-4-07174,Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1Cl,LMZOSPJPVKHUTO-UHFFFAOYSA-N,4,1,0.578,90,400,402.241,3.82,4,0.546,0.71,1.0,0.8817079021314509,0.8973768076211364,0.7669967788362689,0.8269652525529436,0.84326168528545
EOS-4-07175,Cc1nc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)cc2Cl)cs1,WJAQGIAQWVWGHH-UHFFFAOYSA-N,4,1,0.408,14,189,452.902,4.99,5,0.349,0.78,1.0,0.5049602494688507,0.6417569049414023,0.7531697621821671,0.7493746144883833,0.6623153827702009
EOS-4-07176,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)n4)n23)ccc1-c1nncs1,FAJRFPLJRYASDK-UHFFFAOYSA-N,4,1,0.529,34,712,457.853,4.215,5,0.365,0.67,1.0,0.7681190459872524,0.8594852991570145,0.7531783291069838,0.7861952573504215,0.7917444829004181
EOS-4-07177,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cncn1C,QRYYHCFIYGEADQ-UHFFFAOYSA-N,4,1,0.5,43,521,448.433,4.058,5,0.39,0.7,1.0,0.8472859982180796,0.6275186758961003,0.8897265437598519,0.8020355013364403,0.791641679802618
EOS-4-07178,CCOc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccsc1,BPPWXLIWRNUHGE-UHFFFAOYSA-N,4,1,0.552,35,982,461.522,5.074,5,0.321,0.69,1.0,0.8022239736824069,0.790230278939072,0.7484408196833665,0.6577599204989377,0.7496637482009458
EOS-4-07179,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCc3cnc(C(F)F)cn3)n12,WBMPSXFQVIYNGV-UHFFFAOYSA-N,4,1,0.477,27,69,456.413,3.756,5,0.356,0.62,1.0,0.6044993489137139,0.7059317387430608,0.5999246110616133,0.5120279624426016,0.6055959152902475
EOS-4-07181,Cn1c(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)nnc1-c1ccc(F)cc1F,YFBXWXCLXBYCBZ-UHFFFAOYSA-N,4,1,0.372,22,252,438.829,3.504,5,0.399,0.67,1.0,0.28311973134123775,0.49160441367966556,0.4511942293194435,0.6493814680282366,0.46882496059214585
EOS-4-07182,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)c(Cl)c3)n12,WFQJBOXKTKMREU-UHFFFAOYSA-N,4,1,0.56,35,699,452.902,4.724,5,0.371,0.66,1.0,0.7822544719347543,0.8331248714961278,0.7205297786306627,0.7794702213693373,0.7788448358577206
EOS-4-07183,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,MKLZGDTWPFPTSS-UHFFFAOYSA-N,4,1,0.47,73,196,439.863,4.076,5,0.407,0.7,1.0,0.7707747926804195,0.8435679528476459,0.5643376053731752,0.6204423959975327,0.6997806867246933
EOS-4-07184,Fc1cc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)ccc1-c1ncon1,YWBLBAWYMHMXKM-UHFFFAOYSA-N,4,1,0.771,88,876,481.285,4.364,5,0.356,0.69,1.0,0.9243883215680899,0.887173600164485,0.7255756973476801,0.7202727708861627,0.8143525974916044
EOS-4-07185,CCc1cc(F)c(Cl)cc1-c1nnc2cncc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,HHVZVBQBWJTWJA-UHFFFAOYSA-N,4,1,0.361,0,188,453.88,4.845,5,0.469,0.86,1.0,0.33254232060859434,0.44295284764580906,0.7509252278802001,0.8391474196422453,0.5913919539442122
EOS-4-07187,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)ccc1-c1nccs1,TWHDYUDBZJOWDO-UHFFFAOYSA-N,4,1,0.692,91,955,447.495,4.684,5,0.361,0.77,1.0,0.9420361866904257,0.8793605647316839,0.69984065519841,0.6051076005756973,0.7815862517990543
EOS-4-07188,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)c(Cl)c4)n23)c1,HIZAGCNTTIEBSC-UHFFFAOYSA-N,4,1,0.593,35,429,469.357,5.238,5,0.339,0.71,1.0,0.8798660132958673,0.9106726749366048,0.7831539990405044,0.844981495442396,0.8546685456788432
EOS-4-07189,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(C#N)c4)n23)cc1F,DEYYPYVJZJCDMV-UHFFFAOYSA-N,4,1,0.561,16,293,443.417,3.921,5,0.409,0.66,1.0,0.9105613049139881,0.8469775889246796,0.9058323624151875,0.8814765951614009,0.886211962853814
EOS-4-07190,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4F)n23)ccc1-c1ccco1,MOFVCUVAHRDWRZ-UHFFFAOYSA-N,4,1,0.511,11,777,465.872,4.869,5,0.317,0.64,1.0,0.9190768281817558,0.8296724007950106,0.8104053868823248,0.7440973888013159,0.8258130011651018
EOS-4-07191,FCc1ncc(F)c(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)n1,NSFPCNLLEYVGDF-UHFFFAOYSA-N,4,1,0.432,2,875,433.382,2.621,5,0.398,0.63,1.0,0.5332396682886711,0.5146066068124187,0.24199849222123226,0.2521331642793503,0.3854944829004181
EOS-4-07192,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(-c5ccccn5)cnn4)n23)n1,BQRFBFYNYPMTLV-UHFFFAOYSA-N,4,1,0.421,53,873,419.355,2.29,5,0.396,0.55,1.0,0.5537660201494071,0.43439448975395795,0.2964584332807895,0.3157340141182921,0.40008823932561166
EOS-4-07193,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)cc2F)nc1,XMWIPSQGCWVSBQ-UHFFFAOYSA-N,4,1,0.538,73,82,423.408,3.562,5,0.427,0.64,1.0,0.8560585292303474,0.7516791172640669,0.5444537728736892,0.5552223973682407,0.676853454184086
EOS-4-07194,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cnc4Cl)n23)cc1F,AOUIKZVWHFPJHU-UHFFFAOYSA-N,4,1,0.512,16,353,453.84,4.097,5,0.373,0.61,1.0,0.8979593585086697,0.8736635597285998,0.8307946679459941,0.8290470152833939,0.8578661503666644
EOS-4-07195,FC(F)c1ccc(COc2cncc3nnc(-c4ccnc(-c5ccccn5)c4)n23)nn1,MNGDIYZJHNZRAG-UHFFFAOYSA-N,4,1,0.55,24,912,432.394,3.555,5,0.401,0.65,1.0,0.5000942361729833,0.4966160646974162,0.5838530601055445,0.49530532520046605,0.5189671715441025
EOS-4-07196,Cc1nc(-c2nnc3cncc(OCc4cc(F)cc(CF)c4)n23)ccc1-c1ccnnc1,OJFYHVCNUWTEHD-UHFFFAOYSA-N,4,1,0.43,46,348,445.433,4.139,5,0.388,0.57,1.0,0.6412428894524022,0.5237475155918032,0.7692156123637859,0.7036700705914605,0.6594690219998629
EOS-4-07197,N#Cc1cc(COc2cncc3nnc(-c4ccc(-c5ccccn5)c(C#N)c4)n23)c(C#N)cn1,XUBRMEVIDVKYMZ-UHFFFAOYSA-N,4,1,0.473,89,214,455.441,3.442,5,0.388,0.63,0.998,0.7651548900006854,0.6664981838119388,0.8521348776643136,0.7977520389281064,0.7703849976012611
EOS-4-07198,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc1C(F)F,YOTBTWKRCMKWSG-UHFFFAOYSA-N,4,1,0.356,0,188,448.408,4.299,5,0.491,0.87,0.996,0.30986567061887466,0.4737081077376465,0.906980330340621,0.9174919470906723,0.6520115139469536
EOS-4-07199,Cc1cc(-c2ccc(-c3nnc4cncc(F)n34)c(-c3cncc(F)c3)n2)[nH]c(=N)n1,AKZOPWFYLXWNNU-UHFFFAOYSA-N,4,1,0.4,50,575,417.383,2.704,5,0.466,0.69,0.698,0.23202659173463094,0.2905044205332054,0.4582962099924611,0.44599410595572614,0.3567053320540059
EOS-4-07200,COc1cc(COc2nc(F)nc(-c3cncc4nnc(-c5ccc(Cl)cn5)n34)n2)ccn1,OEVYVYYZYNSNAE-UHFFFAOYSA-N,4,1,0.275,46,128,465.836,2.813,5,0.369,0.63,0.991,0.5332482352134877,0.49662463162223286,0.21006956342951133,0.1803252004660407,0.3550669076828182
EOS-4-07201,N#Cc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)nn1,DHAXHLRHSTYWHF-UHFFFAOYSA-N,4,1,0.5,4,534,425.387,2.628,5,0.417,0.68,1.0,0.8403896237406621,0.8435765197724625,0.46169727914467823,0.4460026728805428,0.6479165238845864
EOS-4-07202,CN(Cc1cncc2nnc(-c3ccc(-c4nc[nH]n4)c(F)c3)n12)C(=O)c1ccc(F)c(Cl)c1,UBNZPXBEKJBPEK-UHFFFAOYSA-N,4,1,0.44,47,291,480.866,3.78,5,0.41,0.63,1.0,0.35353985333424714,0.45183674868069357,0.5838616270303612,0.6259594955794668,0.5037994311561922
EOS-4-07203,N#Cc1cnc(-c2cncc3nnc(-c4ccc(Br)c(CO)c4)n23)nc1,PJQUPTUELYMHHL-UHFFFAOYSA-N,4,1,0.368,50,261,408.219,2.375,4,0.554,0.75,1.0,0.34909361935439653,0.447519018573093,0.6091426221643479,0.634826262764718,0.5101453807141388
EOS-4-07204,Fc1cnccc1CCOc1cncc2nnc(-c3cccc(-c4cscn4)c3)n12,BNQORWSLWDPYRG-UHFFFAOYSA-N,4,1,0.565,35,161,418.457,4.07,5,0.414,0.76,1.0,0.7325320402988144,0.7059403056678775,0.632504626139401,0.617341169213899,0.6720795353299979
EOS-4-07205,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cnn(C(F)F)c3)n12,UUXDBVNYOSNKQQ-UHFFFAOYSA-N,4,1,0.494,58,271,458.429,3.662,5,0.344,0.58,1.0,0.48737235282023167,0.5800750462613941,0.5643461722979919,0.4891114385580152,0.5302262524844082
EOS-4-07206,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)c(F)n1,BEGVJHHLNQKQIU-UHFFFAOYSA-N,4,1,0.457,4,817,432.394,3.204,5,0.39,0.66,1.0,0.6295576040024673,0.6957713659104928,0.5342934000411212,0.4799448290041807,0.5848917997395655
EOS-4-07207,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)n1,COFWMVMEVLHMLE-UHFFFAOYSA-N,4,1,0.429,54,411,419.355,2.29,5,0.396,0.61,0.751,0.5959409910218628,0.5098690973888013,0.23133267082448083,0.255311493386334,0.3981135631553698
EOS-4-07208,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)ccn4)n23)nc1,QXDDFXUETFOTIY-UHFFFAOYSA-N,4,1,0.506,73,949,418.367,2.896,5,0.429,0.7,1.0,0.5230278939072031,0.505748406551984,0.4825577410732643,0.47698923994243025,0.4970808203687204
EOS-4-07209,Fc1cc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)ccc1-c1nc[nH]n1,HWZCOVAJDLIJQH-UHFFFAOYSA-N,4,1,0.44,47,379,441.789,2.877,5,0.413,0.65,1.0,0.8817164690562675,0.7940768281817558,0.517562195874169,0.5713624837228428,0.6911794942087588
EOS-4-07210,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)cc2OC)nc1,BSIQUQYSMGQPIX-UHFFFAOYSA-N,4,1,0.517,1,61,458.453,3.984,5,0.361,0.74,1.0,0.7707833596052361,0.6957799328353095,0.7175913234185457,0.5252809951339867,0.6773589027482695
EOS-4-07211,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)cc4)n23)ccn1,SGBSPIRZKLGZBY-UHFFFAOYSA-N,4,1,0.61,35,352,433.924,5.19,5,0.345,0.73,1.0,0.8979679254334864,0.9338804742649579,0.7808837639640874,0.8042372010143239,0.8542423411692139
EOS-4-07212,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,AHWXNDHNYPLGDB-UHFFFAOYSA-N,4,1,0.512,58,698,455.425,3.744,5,0.36,0.66,1.0,0.7623877732849017,0.8682406963196491,0.6029744362963471,0.587014255362895,0.7051542903159482
EOS-4-07213,Fc1ccc(COc2cncc3nnc(-c4cnnc(-c5cccc(F)c5)c4)n23)nc1,IYYMPQCFPFEPQC-UHFFFAOYSA-N,4,1,0.547,34,712,417.379,3.501,5,0.432,0.57,1.0,0.5408128298266054,0.6089627167431979,0.7383232814748818,0.7648379137824687,0.6632341854567885
EOS-4-07214,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5cncs5)nn4)n23)cc1F,XUWOWRYVOKBURE-UHFFFAOYSA-N,4,1,0.459,54,445,441.398,3.701,5,0.384,0.72,0.992,0.6686227811664724,0.6567318895209375,0.7872147214036049,0.7955760400246727,0.7270363580289219
EOS-4-07215,COc1cc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1-c1c(F)cccc1OC,UFELALSZVHUERL-UHFFFAOYSA-N,4,1,0.57,91,955,472.48,4.026,5,0.334,0.73,1.0,0.8560670961551642,0.7689500376944692,0.7282485778904805,0.5682441230895757,0.7303774587074224
EOS-4-07216,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2Cl)n1,AJUYQNGOJCUQIG-UHFFFAOYSA-N,4,1,0.588,35,509,443.898,4.227,5,0.388,0.75,1.0,0.937255842642725,0.9293314371873073,0.5138955520526352,0.505337194160784,0.7214550065108629
EOS-4-07217,N#Cc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCc3ccc(F)c(C#N)n3)n12,YYSXGMPFEKPQGW-UHFFFAOYSA-N,4,1,0.484,4,702,454.45,3.771,5,0.393,0.69,1.0,0.7382290453018985,0.7689586046192859,0.7645809060379686,0.712348365430745,0.7460292303474745
EOS-4-07218,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1cscn1,OWZRVLORGKCMAV-UHFFFAOYSA-N,4,1,0.511,4,702,454.45,3.771,5,0.393,0.63,0.998,0.7591066410801178,0.8025923514495237,0.7737989171407031,0.7202813378109794,0.7639448118703309
EOS-4-07219,N#Cc1nccc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)n1,SGWFYRZMYXCDSA-UHFFFAOYSA-N,4,1,0.711,68,305,395.329,2.633,4,0.49,0.82,1.0,0.8330820368720444,0.8682492632444657,0.7892964841340553,0.7010828592968268,0.797927660886848
EOS-4-07220,Fc1ncc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)n1,UZFSPGFJUOJIRR-UHFFFAOYSA-N,4,1,0.468,47,164,455.816,2.92,5,0.388,0.6,1.0,0.8330906037968611,0.8594938660818313,0.4403313686519087,0.5019018573093003,0.6587044239599753
EOS-4-07221,N#CCCNC(=O)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4F)n23)cc1,UDIMEDXDCASPTL-UHFFFAOYSA-N,4,1,0.463,0,646,434.862,3.818,4,0.465,0.85,1.0,0.3444589130285793,0.44752758549790966,0.7621907340141183,0.7596891919676513,0.5784666061270647
EOS-4-07222,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3Cl)n12,OJGGDLHBVIFPKE-UHFFFAOYSA-N,4,1,0.552,37,832,471.88,4.258,5,0.342,0.68,1.0,0.6868446302515249,0.7983431567404564,0.7785107257898705,0.8152285655541087,0.76973176958399
EOS-4-07223,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(C(F)F)n4)n23)cc1,OHHKVZBVFIDAFA-UHFFFAOYSA-N,4,1,0.584,90,12,442.401,3.244,4,0.472,0.77,1.0,0.8022325406072236,0.5653656363511754,0.6998492221232266,0.5155147008429855,0.6457405249811529
EOS-4-07224,COc1cc(-c2nnc3cncc(CNc4ccc(F)cc4)n23)ccc1-c1cscn1,RSEUMCHEBRHGOJ-UHFFFAOYSA-N,4,1,0.388,14,257,432.484,4.675,5,0.42,0.81,1.0,0.3558614899595641,0.26964395860461926,0.6889949283805086,0.5900726475224454,0.4761432561167843
EOS-4-07225,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)cc3)n12,ANMDFWBWHNGAMT-UHFFFAOYSA-N,4,1,0.59,35,352,418.457,4.07,5,0.387,0.63,1.0,0.8718987732163662,0.8220564046329929,0.6420653142348023,0.6230638749914331,0.7397710917688987
EOS-4-07226,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cc4Cl)n23)ccc1-c1nccs1,MLIBBUPWQPWCEY-UHFFFAOYSA-N,4,1,0.586,91,313,481.94,5.337,5,0.312,0.77,1.0,0.9409738880131588,0.9106812418614214,0.8215252552943595,0.7815948187238709,0.8636938009732027
EOS-4-07227,Fc1cccc(COc2cncc3nnc(-c4cncnc4-c4nccs4)n23)c1F,KNQYIXIAOLWUPV-UHFFFAOYSA-N,4,1,0.472,24,910,423.408,3.562,5,0.427,0.68,0.996,0.6779435953670071,0.6470512644781029,0.5711397436776094,0.5990422178054965,0.623794205332054
EOS-4-07228,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1C#N,QBUQLBKRSMSWOV-UHFFFAOYSA-N,4,1,0.75,48,378,432.871,3.297,4,0.501,0.73,1.0,0.9043160167226373,0.6567404564457542,0.7175998903433624,0.6577684874237544,0.7341062127338771
EOS-4-07229,N#Cc1cc(-c2nnc3cncc(-c4cc(-c5cncnn5)cnn4)n23)ccc1Cl,PWSNKQWZTNKFOU-UHFFFAOYSA-N,4,1,0.329,50,216,412.804,2.625,5,0.438,0.64,1.0,0.28043828387362074,0.4518453156055102,0.5933623466520458,0.6812247275717909,0.5017176684257418
EOS-4-07230,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3)n12,LLFHTOBYCYOURT-UHFFFAOYSA-N,4,1,0.528,35,76,418.457,4.07,5,0.387,0.77,1.0,0.8354722088958947,0.8331334384209444,0.5608251661983414,0.5423120416695223,0.6929357137961757
EOS-4-07231,Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)c(Cl)c4)n23)c1,IPPBFENDLZONAG-UHFFFAOYSA-N,4,1,0.54,4,554,447.861,4.323,5,0.396,0.69,1.0,0.7109690905352615,0.814217668425742,0.7359245425262148,0.7364899595641149,0.7494003152628333
EOS-4-07232,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1ncccn1,VBMGXBJNYRWUPB-UHFFFAOYSA-N,4,1,0.526,35,604,443.442,3.413,5,0.377,0.66,1.0,0.9351826468370914,0.7902388458638887,0.5207148242067028,0.40780275512302105,0.6634847680076761
EOS-4-07233,CC(C)(C)c1ncc(Cc2cncc3nnc(-c4ccncc4-c4cccc(F)c4)n23)nn1,KMCQKYNAXAKUEA-UHFFFAOYSA-N,4,1,0.365,85,81,440.486,4.066,5,0.416,0.61,1.0,0.34212014255362894,0.3054879720375574,0.22758035775478033,0.19649098759509287,0.2679198649852649
EOS-4-07234,Cc1ccc(-c2nnc3cncc(CNc4ccc(F)c(-c5ccccn5)c4)n23)cn1,QEAMOLVGOAISBW-UHFFFAOYSA-N,4,1,0.394,14,358,411.444,4.308,5,0.464,0.87,1.0,0.13552018367486807,0.1731461174696731,0.65063223905147,0.5932681104790625,0.38814166266876843
EOS-4-07235,N#CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)cc1F,AVVMEJLZKLMHFJ-UHFFFAOYSA-N,4,1,0.379,0,682,433.378,2.089,4,0.462,0.84,1.0,0.4187855527379892,0.31585395106572545,0.6810448221506408,0.6018950037694469,0.5043948324309505
EOS-4-07236,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1ccc(F)nn1,FGSFORWXGUCHBG-UHFFFAOYSA-N,4,1,0.454,72,224,472.415,3.381,5,0.366,0.72,1.0,0.8305462271263108,0.8180984853676924,0.7335600712768144,0.6173497361387157,0.7498886299773834
EOS-4-07238,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)nc(Cl)n1,BMADCNQQZCYWPV-UHFFFAOYSA-N,4,1,0.552,11,922,437.822,3.65,5,0.293,0.7,1.0,0.9190853951065725,0.8951322733191693,0.4927952162291824,0.5053457610856007,0.7030896614351312
EOS-4-07239,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCC5CC5)cc4F)n23)c(F)c1F,XHAJHZZVTJFCGF-UHFFFAOYSA-N,4,1,0.346,0,129,480.45,3.375,5,0.441,0.84,0.999,0.39473819477760264,0.4163525460900555,0.48623295181961484,0.5518298951408402,0.46228839695702834
EOS-4-07240,COc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)ccc1-c1ccsc1,FNMAJTAGQYWUGU-UHFFFAOYSA-N,4,1,0.523,97,83,467.913,5.295,5,0.337,0.57,1.0,0.8204715235419094,0.8026009183743403,0.8815536974847509,0.8467120142553629,0.837834538414091
EOS-4-07241,Fc1ccc(-c2cc(F)c(-c3nnc4cncc(-c5cnn(-c6cncnc6)c5)n34)cn2)nn1,CMCNWTFVJXZHQL-UHFFFAOYSA-N,4,1,0.267,86,151,455.392,2.564,6,0.394,0.57,0.656,0.018273250633952437,0.1608697142073881,0.4403399355767254,0.46172297991912825,0.27030147008429856
EOS-4-07242,NC(=O)c1ccc(-c2nnc3cncc(-c4nccc(-c5cccc(F)c5)n4)n23)cc1F,GNRKCWKNRYASGI-UHFFFAOYSA-N,4,1,0.369,96,648,429.39,3.292,5,0.469,0.82,1.0,0.25908094030566786,0.2643667329175519,0.6295576040024673,0.657777054348571,0.45269558289356454
EOS-4-07243,Cc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3c(F)cncc3F)n12,GEINAQHXXRDXQI-UHFFFAOYSA-N,4,1,0.512,58,559,445.433,3.851,5,0.392,0.65,1.0,0.8817250359810842,0.8142262353505586,0.554725515728874,0.532340141182921,0.6957542320608594
EOS-4-07244,Cc1ccc(-c2cc(F)c(-c3cncc4nnc(-c5ncncc5-c5cccc(F)c5)n34)cc2F)nn1,AEWLSKZVVFFXLK-UHFFFAOYSA-N,4,1,0.307,3,287,496.456,5.098,6,0.335,0.63,0.915,0.26970392707833596,0.40224282091700364,0.8564697416215475,0.8786323761222672,0.6017622164347886
EOS-4-07245,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cnoc5)c4)n23)c1F,WKYQKDZUSIRJJK-UHFFFAOYSA-N,4,1,0.537,59,183,406.352,3.699,5,0.439,0.68,1.0,0.7534696045507505,0.5419693646768556,0.8653793434308821,0.8410578438763622,0.7504690391337127
EOS-4-07246,Fc1cc(-c2nc[nH]n2)cc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)c1,WOJGZMIVBBZHMT-UHFFFAOYSA-N,4,1,0.511,47,164,441.789,2.877,5,0.442,0.64,1.0,0.5959495579466795,0.656749023370571,0.5711483106024261,0.6287694469193338,0.6131540847097525
EOS-4-07247,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)nc1Cl,QQEOACUCHXIMPL-UHFFFAOYSA-N,4,1,0.524,24,28,474.308,4.73,5,0.34,0.62,0.999,0.6656671921047221,0.7940853951065725,0.6672435062709889,0.7390086354602152,0.7165011822356246
EOS-4-07248,Fc1cnc(Oc2cncc3nnc(-c4cc(-c5cccnn5)ncn4)n23)c(F)c1,DEUNVKZELSYIPX-UHFFFAOYSA-N,4,1,0.297,46,726,405.328,2.504,5,0.444,0.58,0.673,0.632324720718251,0.49663319854704957,0.3744688506613666,0.3797632101980673,0.47079749503118357
EOS-4-07249,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)nc1,WGJIZZACKXPIBF-UHFFFAOYSA-N,4,1,0.552,11,0,453.289,4.77,5,0.366,0.59,1.0,0.8150572270577754,0.7731221300801864,0.7229884860530464,0.7907442944280721,0.77547803440477
EOS-4-07250,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)ncc1Cl,COSVMPCANJSAOQ-UHFFFAOYSA-N,4,1,0.549,73,469,441.785,3.747,5,0.406,0.72,1.0,0.7936656157905558,0.7940939620313893,0.80031354944829,0.8152371324789254,0.8008275649372901
EOS-4-07251,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)ccc4Cl)n23)cc1,WEUXYMVNXXWAOB-UHFFFAOYSA-N,4,1,0.655,48,378,439.878,3.955,4,0.471,0.79,1.0,0.7879172092385717,0.5948615584949627,0.704869440065794,0.6549842368583373,0.6856581111644164
EOS-4-07252,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1cncnc1,GAELGUCPVNXMKT-UHFFFAOYSA-N,4,1,0.468,4,83,454.425,3.242,5,0.38,0.64,1.0,0.7736704132684532,0.7983517236652731,0.7125625385511617,0.5745408128298266,0.7147813720786786
EOS-4-07253,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(Br)c4)n23)cc1F,PJNFQIZZAFCWOP-UHFFFAOYSA-N,4,1,0.416,0,188,486.732,4.906,5,0.445,0.9,1.0,0.46753992186964566,0.6324103899664176,0.7509337948050168,0.8744945514358166,0.6813446645192242
EOS-4-07254,Fc1ncc(-c2cc(CNCc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)cn1,JDIYFTVCMYWNGE-UHFFFAOYSA-N,4,1,0.324,85,434,448.853,2.516,5,0.39,0.66,1.0,0.3071328216023576,0.2852357617709547,0.28565554108697144,0.32477211979987664,0.3006990610650401
EOS-4-07255,Fc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5cnco5)c4)n23)n1,WCXCOMQWHKVDDS-UHFFFAOYSA-N,4,1,0.483,75,496,408.328,2.488,5,0.404,0.63,1.0,0.6988640257693098,0.5699061065040093,0.40386196970735383,0.3636573915427318,0.5090723733808512
EOS-4-07256,Cn1nccc1-c1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1F,RIKHRHAUXNGYOG-UHFFFAOYSA-N,4,1,0.411,13,251,423.358,3.796,5,0.437,0.76,1.0,0.4164639161126722,0.482360701802481,0.7692241792886025,0.779478788294154,0.6118818963744774
EOS-4-07257,COc1cc(-c2nnc3cncc(Oc4ccc(F)cc4Cl)n23)ccc1-c1ncon1,MPDHXBJEBCKSFH-UHFFFAOYSA-N,4,1,0.518,13,209,438.806,4.435,5,0.397,0.75,1.0,0.7990884791995065,0.7010485915975602,0.7933400726475225,0.754463367829484,0.7619851278185183
EOS-4-07258,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cocn5)cc4F)n23)nc1,ILWAJAPLWPFPIV-UHFFFAOYSA-N,4,1,0.453,73,196,407.34,3.094,5,0.438,0.77,1.0,0.8075269001439244,0.7059488725926941,0.5678243437735591,0.5616475909807416,0.6607369268727297
EOS-4-07259,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncsn5)cc4)n23)cc1Cl,ZGIZBNNEHRHFDI-UHFFFAOYSA-N,4,1,0.824,91,781,452.902,4.724,5,0.371,0.66,1.0,0.9362620793639915,0.9184771434445891,0.7831625659653211,0.802044068261257,0.8599864642587897
EOS-4-07260,CC(F)(F)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1,IBKYBJUGGPSTLT-UHFFFAOYSA-N,4,1,0.303,0,188,438.413,3.996,5,0.509,0.86,1.0,0.17928003563840725,0.29051298745802207,0.840569529161812,0.8230159002124597,0.5333446131176753
EOS-4-07261,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)nn2)nc1,RCGZOBFFJRNOCL-UHFFFAOYSA-N,4,1,0.424,54,382,419.355,2.29,5,0.423,0.59,0.936,0.6868531971763416,0.5146151737372353,0.31092796929614147,0.35062709889658006,0.46575585977657463
EOS-4-07262,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(F)c1,LGLVBNIKMCPWKS-UHFFFAOYSA-N,4,1,0.521,90,133,458.856,3.3,4,0.435,0.79,1.0,0.7234510999931465,0.5191128092659859,0.5175707627989857,0.5019104242341169,0.5655112740730588
EOS-4-07263,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccc(F)nc5)nc4)n23)cc1F,WIUYKVUKGMRMRP-UHFFFAOYSA-N,4,1,0.33,96,648,459.416,3.678,5,0.4,0.83,1.0,0.5901154821465286,0.5191213761908026,0.7359331094510314,0.6230724419162498,0.6170606024261531
EOS-4-07264,COc1nccc(F)c1COc1cncc2nnc(-c3ccnc(-c4cncnc4)c3)n12,YXAMEFYUSTXMBG-UHFFFAOYSA-N,4,1,0.461,75,441,430.403,2.765,5,0.401,0.58,0.999,0.6748166678089234,0.5609194023713248,0.44034850250154206,0.32180796381330956,0.4994731341237749
EOS-4-07265,Fc1cccc(CCOc2cncc3nnc(-c4cnc(-c5cnccn5)cn4)n23)c1,GXJPBRSDISKRTK-UHFFFAOYSA-N,4,1,0.59,18,324,414.404,2.799,5,0.418,0.76,1.0,0.7049122746898773,0.6860479062435748,0.37447741758618325,0.3953550133644027,0.5401981529710095
EOS-4-07266,Clc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)cc3Cl)n12,IOUHHBSIIOLDOR-UHFFFAOYSA-N,4,1,0.571,37,832,454.277,4.165,5,0.377,0.66,1.0,0.7936741827153725,0.773130697005003,0.664459255705572,0.7364985264889315,0.7419406654787197
EOS-4-07267,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,XFZUTCAYMWIXKZ-UHFFFAOYSA-N,4,1,0.61,11,275,417.469,4.675,5,0.402,0.73,1.0,0.84967617024193,0.859502433006648,0.6890034953053252,0.7010914262216434,0.7748183811938867
EOS-4-07268,COc1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1cncs1,QGVVYDCSAAVIKR-UHFFFAOYSA-N,4,1,0.483,97,103,452.446,4.176,5,0.357,0.61,1.0,0.8836268932903845,0.7689671715441025,0.7872232883284216,0.6870845041463917,0.781725464327325
EOS-4-07269,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,XBRMPHPKRPVMMD-UHFFFAOYSA-N,4,1,0.424,47,379,441.789,2.877,5,0.413,0.69,1.0,0.8256459461311767,0.7902474127887054,0.5139041189774518,0.5648430539373587,0.6736601329586732
EOS-4-07270,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,IDNRSUDGECVFLY-UHFFFAOYSA-N,4,1,0.556,35,143,418.457,4.07,5,0.387,0.75,1.0,0.7822630388595709,0.7859382496059215,0.5139126859022686,0.5085155232677678,0.6476573744088823
EOS-4-07272,Fc1cc(F)nc(CCOc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)c1,LTTDIRKHEYUIAM-UHFFFAOYSA-N,4,1,0.506,37,832,455.425,3.744,5,0.36,0.71,1.0,0.8719073401411829,0.8926735658967857,0.6644678226303886,0.6843173874306079,0.7783415290247413
EOS-4-07273,CCOCc1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)cn1,IFGOIJHZPWYQKG-UHFFFAOYSA-N,4,1,0.551,90,636,428.855,3.532,4,0.424,0.7,1.0,0.6592676992666713,0.8142348022753753,0.557638270166541,0.5287591666095538,0.6399749845795353
EOS-4-07274,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)c(Cl)c3)n12,LKZWOMJPQYIZNN-UHFFFAOYSA-N,4,1,0.54,11,699,452.902,4.724,5,0.371,0.63,1.0,0.817670139126859,0.8818449729285176,0.6756390925913234,0.7365070934137482,0.777915324515112
EOS-4-07275,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1F,KVJCHJHRLPUXBG-UHFFFAOYSA-N,4,1,0.337,0,188,434.381,3.639,5,0.529,0.83,1.0,0.34446747995339594,0.47371667466246314,0.854961962853814,0.8967342882598862,0.6424701014323898
EOS-4-07276,Fc1nc(-c2cnco2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,BPIBTPLLSVMESD-UHFFFAOYSA-N,4,1,0.484,87,143,438.81,3.045,5,0.291,0.65,1.0,0.7990970461243232,0.764469536015352,0.3109365362209581,0.32801041738057707,0.5506283839353026
EOS-4-07277,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(-c5cccnn5)ncn4)n23)n1,WKNGXUQZYBDZTQ-UHFFFAOYSA-N,4,1,0.364,46,726,420.343,1.685,5,0.387,0.46,0.116,0.5703087519703927,0.42972551572887396,0.19594270440682612,0.202419299568227,0.3495990679185799
EOS-4-07278,Fc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ccc(F)s5)n34)c2)cn1,RRSIMHGCTPKOTE-UHFFFAOYSA-N,4,1,0.443,46,157,422.42,4.167,5,0.396,0.72,1.0,0.6157477211979988,0.5994876978959632,0.7597662942910013,0.7493831814131999,0.6810962236995408
EOS-4-07279,Fc1ccc(F)c(-c2ncnnc2-c2nnc3cncc(OCCc4ncc(Cl)cn4)n23)c1,HGQDRJBUVBTUPP-UHFFFAOYSA-N,4,1,0.432,73,795,467.827,2.986,5,0.371,0.66,0.991,0.6779521622918238,0.6229953395928998,0.3185096977588925,0.47995339592899733,0.5248526488931533
EOS-4-07280,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4Cl)n23)cn1,BKEFYEAGSRVIEY-UHFFFAOYSA-N,4,1,0.583,11,0,469.357,5.238,5,0.317,0.78,1.0,0.8283188266739772,0.8926821328216024,0.7099324926324446,0.77452710575012,0.801365139469536
EOS-4-07281,OCCc1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)nc(F)n4)n23)cn1,NYZWKPXNXDCYMG-UHFFFAOYSA-N,4,1,0.349,50,489,433.382,1.913,5,0.413,0.66,0.999,0.33964430128161194,0.39721403604961963,0.24200705914604895,0.25818998012473443,0.30926384415050373
EOS-4-07282,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ccc(F)s3)n12,FOCZITAQQUMTPN-UHFFFAOYSA-N,4,1,0.494,4,31,434.481,4.566,5,0.403,0.65,1.0,0.732540607223631,0.802609485299157,0.7048780069906107,0.6783719416078404,0.7296000102803097
EOS-4-07283,FC(F)c1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)cc4Cl)n23)nn1,MLDYDSXOPYQHBN-UHFFFAOYSA-N,4,1,0.512,27,52,456.8,3.801,5,0.376,0.63,1.0,0.6560551024604208,0.7335686382016311,0.67564765951614,0.6465972174628195,0.6779671544102529
EOS-4-07284,N#Cc1nc(CCOc2cncc3nnc(-c4cnc(Cl)nc4)n23)ccc1Cl,YCSIFCSTPIAFBC-UHFFFAOYSA-N,4,1,0.489,90,811,413.228,2.776,4,0.459,0.71,1.0,0.8305547940511274,0.8845778219450346,0.4512027962442602,0.5287677335343705,0.6737757864436982
EOS-4-07285,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncc(-c5cncnn5)cn4)n23)cn1,NMKHDAYXNWOIQL-UHFFFAOYSA-N,4,1,0.424,51,48,450.369,2.009,5,0.36,0.67,1.0,0.6592762661914879,0.5800836131862107,0.41812589952710577,0.3345726817901446,0.49801461517373724
EOS-4-07286,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)(F)C5)c(F)c4)n23)cc1F,HWRBQGBUCVVNQN-UHFFFAOYSA-N,4,1,0.345,0,188,484.413,3.187,5,0.45,0.85,1.0,0.39039476389555205,0.48236926872729763,0.6062384346514975,0.6493900349530533,0.5320981255568501
EOS-4-07287,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ncccn1,QYAYNZCMOBNOMA-UHFFFAOYSA-N,4,1,0.523,35,604,443.442,3.413,5,0.353,0.7,1.0,0.9409824549379755,0.8066702076622576,0.49280378315399903,0.37341511890891643,0.6534678911657872
EOS-4-07288,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnc(Cl)cn4)nn3)n12,NIRONXVEDUNGBM-UHFFFAOYSA-N,4,1,0.446,54,411,449.837,2.847,5,0.385,0.6,0.843,0.7623963402097184,0.7815862517990542,0.3517750668220136,0.41744054554177235,0.5782995510931396
EOS-4-07289,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)ccc1-c1ccc(F)cn1,SZEWOCVZHAJLIJ-UHFFFAOYSA-N,4,1,0.457,4,61,463.86,4.023,5,0.348,0.74,1.0,0.8739377013227332,0.8103111507093413,0.7307758207113975,0.6664810499623055,0.7703764306764443
EOS-4-07290,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3Cl)n12,GPUWKPNJUHJKSE-UHFFFAOYSA-N,4,1,0.441,65,262,449.837,2.847,5,0.36,0.6,1.0,0.8204800904667261,0.8331420053457611,0.20290761428277707,0.27010657254471937,0.531659070659996
EOS-4-07291,Cn1nc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)cc1-c1ccc(F)cn1,SDGLLJXCTHQCEW-UHFFFAOYSA-N,4,1,0.444,95,445,455.375,3.722,5,0.297,0.69,0.989,0.5356469741621548,0.47372524158727985,0.8828216023576178,0.8829072716057844,0.6937752724282092
EOS-4-07292,Fc1cc(COc2cncc3nnc(-c4ccc(-c5csnn5)c(F)c4)n23)ncc1Cl,ILSJQMJKHCXTGP-UHFFFAOYSA-N,4,1,0.536,34,712,457.853,4.215,5,0.39,0.65,1.0,0.5729130971146598,0.7105236104447947,0.8234014118292098,0.8536169556575971,0.7401137687615654
EOS-4-07293,CNC(F)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1F,FRUJZQYQUTVOLL-UHFFFAOYSA-N,4,1,0.327,0,188,470.43,3.955,5,0.329,0.72,1.0,0.36051333013501474,0.4475361524227263,0.9106898087862381,0.913062846960455,0.6579505345761085
EOS-4-07294,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)cc1C#N,CWUXPWKAXRABIS-UHFFFAOYSA-N,4,1,0.512,43,521,443.417,3.921,5,0.409,0.67,1.0,0.7444743334932493,0.6860564731683915,0.9163953807141388,0.892459392776369,0.8098463950380371
EOS-4-07295,Fc1ccc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)cc1-c1conn1,AFMWPUBUBHOTCK-UHFFFAOYSA-N,4,1,0.483,34,712,441.785,3.747,5,0.406,0.71,1.0,0.6592848331163046,0.7105321773696114,0.8161966280583921,0.8467205811801796,0.7581835549311219
EOS-4-07296,N#Cc1nc(COc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)ccc1F,WKAONVMKXZSKKU-UHFFFAOYSA-N,4,1,0.44,46,160,429.44,3.9,5,0.417,0.7,1.0,0.5703173188952094,0.5327599204989377,0.645012336371736,0.6204509629223494,0.5921351346720581
EOS-4-07297,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cnc(F)cc4F)n23)cc1F,ZHQJAAKCXZYTSL-UHFFFAOYSA-N,4,1,0.552,37,353,451.412,3.626,5,0.367,0.64,1.0,0.9058580631896375,0.8871821670893016,0.8003221163731067,0.7672880542800357,0.8401626002330204
EOS-4-07298,COc1cc(-c2nnc3cncc(OCc4cc(Cl)c(F)cn4)n23)ccc1-c1ccsc1,QBPVQXPFUXFFSZ-UHFFFAOYSA-N,4,1,0.523,97,83,467.913,5.295,5,0.337,0.65,1.0,0.8099770406414913,0.790255979713522,0.8828301692824344,0.8484682338427798,0.832882855870057
EOS-4-07299,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cnn(C)c1,UARDBDRFEBTAAN-UHFFFAOYSA-N,4,1,0.703,43,623,432.434,4.357,5,0.413,0.72,1.0,0.7140703173188953,0.6665067507367556,0.9182201357000891,0.8732180796381331,0.7930038208484682
EOS-4-07300,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1ncno1,NMNMORLEGZRPDH-UHFFFAOYSA-N,4,1,0.511,37,490,439.357,3.275,5,0.397,0.67,1.0,0.8651823041600987,0.7287368926050305,0.7073881159618943,0.7095726817901447,0.7527199986292921
EOS-4-07301,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)cc1F,WHBUHOBQIYOLHU-UHFFFAOYSA-N,4,1,0.517,37,832,455.425,3.744,5,0.385,0.71,1.0,0.8426684257418957,0.8711277499828661,0.7125711054759784,0.7228085806318963,0.7872939654581591
EOS-4-07302,COc1cc(Cl)ccc1COc1cncc2nnc(-c3ccc(-c4cocn4)c(OC)c3)n12,PHZJBBMCDNVVHC-UHFFFAOYSA-N,4,1,0.522,1,383,463.881,4.696,5,0.343,0.66,1.0,0.809985607566308,0.6714241655815228,0.8040572955931738,0.6577856212733877,0.7358131725035981
EOS-4-07303,Oc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nccs1,UEPJSQCYMJSTGV-UHFFFAOYSA-N,4,1,0.529,11,201,434.456,3.776,5,0.406,0.59,1.0,0.844878692344596,0.8066787745870743,0.5512130765540402,0.4830974573367144,0.6714670002056062
EOS-4-07304,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)ccc1Cl,GSBFVUJGZIAOST-UHFFFAOYSA-N,4,1,0.404,0,21,428.883,4.219,5,0.487,0.87,1.0,0.24304365704886574,0.32101980673017616,0.10479062435748064,0.4043074497978206,0.2682903844835858
EOS-4-07305,Fc1ncc(F)c(COc2cncc3nnc(-c4cc(Cl)nc(-c5nccs5)c4)n23)n1,YPVAMXAEXPIMNW-UHFFFAOYSA-N,4,1,0.473,24,486,458.841,3.61,5,0.29,0.57,0.999,0.6838376396408745,0.7151497498457954,0.407571448152971,0.4554177232540607,0.5654941402234255
EOS-4-07306,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ncn1,GNMSEHGATKYHOB-UHFFFAOYSA-N,4,1,0.413,46,488,438.373,2.978,5,0.389,0.64,0.73,0.6072236310054143,0.46948461380302925,0.7956531423480228,0.7570334452744842,0.6573487081077376
EOS-4-07307,Fc1ccc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)nn1,MJMYIDQUUGWVRN-UHFFFAOYSA-N,4,1,0.561,34,659,435.81,2.805,5,0.41,0.62,1.0,0.8780326913851004,0.9594270440682613,0.3038602563223905,0.4334435610993078,0.6436908882187651
EOS-4-07308,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5Cl)n34)cc2)cs1,GKRDTELRQZRBCS-UHFFFAOYSA-N,4,1,0.612,91,660,465.941,5.637,5,0.325,0.79,1.0,0.957782194503461,0.9536272359673772,0.8391388527174286,0.8370313892125283,0.8968949181001988
EOS-4-07309,Cc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccn2)nc1,USEGUDUJBZQSPV-UHFFFAOYSA-N,4,1,0.565,75,359,428.431,3.107,5,0.406,0.63,1.0,0.8472945651428964,0.7010571585223768,0.35563874991433075,0.31262422040984167,0.5541536734973614
EOS-4-07310,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C#N)cc4F)n23)cc1F,LRSXCPHTOBNSDQ-UHFFFAOYSA-N,4,1,0.542,16,293,443.417,3.921,5,0.409,0.68,1.0,0.9043245836474539,0.8469861558494962,0.912497429922555,0.8871821670893016,0.8877475841272017
EOS-4-07312,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NCCF)c(C#N)c4)n23)cn1,VNQGJOBZFCAIQY-UHFFFAOYSA-N,4,1,0.375,66,364,466.427,2.855,4,0.444,0.56,1.0,0.27473271194571997,0.2541806593105339,0.5678329106983757,0.369996915907066,0.3666857994654239
EOS-4-07313,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncccn1,BSBLOWXWBGJHLB-UHFFFAOYSA-N,4,1,0.534,35,982,443.442,3.413,5,0.377,0.7,1.0,0.9329552463847577,0.7902645466383387,0.5478976766499897,0.4238057706805565,0.6737308100884106
EOS-4-07315,CC(F)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4Cl)n23)c(F)c1,URAZYXADOUAYLD-UHFFFAOYSA-N,4,1,0.364,0,999,453.88,5.174,5,0.452,0.82,0.998,0.3558700568843808,0.44754471934754303,0.8683006647933658,0.9064149133027208,0.6445325885820026
EOS-4-07316,CCNC(=O)c1ccc(-c2nnc3cncc(OCCCc4ccc(F)c(F)c4)n23)cc1,ZJAMAJQOTMPFHH-UHFFFAOYSA-N,4,1,0.695,48,378,437.45,3.831,4,0.424,0.81,1.0,0.7534781714755672,0.26437529984236857,0.6420738811596189,0.5485144952367899,0.5521104619285861
EOS-4-07317,Fc1cc(-n2ccc(C(F)(F)F)n2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,CARDVGCRLMTWOK-UHFFFAOYSA-N,4,1,0.5,37,563,504.835,4.2,5,0.252,0.65,1.0,0.5434000411212391,0.6324189568912343,0.920027756836406,0.8603505585634981,0.7390493283530943
EOS-4-07318,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ncc4Cl)n23)cc1F,NXVQOVDIVNIRID-UHFFFAOYSA-N,4,1,0.548,90,133,475.311,4.003,4,0.406,0.83,1.0,0.6560636693852375,0.5237560825166199,0.6781834692618738,0.6812332944966075,0.6348091289150847
EOS-4-07319,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1F,RRZZOUOFXQCBLG-UHFFFAOYSA-N,4,1,0.5,73,353,437.385,3.583,5,0.391,0.68,1.0,0.7109776574600781,0.747318552532383,0.7979919128229731,0.7745356726749366,0.7577059488725926
EOS-4-07321,NC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(=O)N5CC(F)C5)cc4F)n23)cc1F,GILJHPPETBGCLV-UHFFFAOYSA-N,4,1,0.385,66,685,467.411,1.948,5,0.479,0.76,0.982,0.3248834898224933,0.38790178877390175,0.18915769995202522,0.2909156329244055,0.2982146528682065
EOS-4-07322,Cc1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cccc(C#N)n5)n4)n23)cn1,NWAQVCHQGTWQPO-UHFFFAOYSA-N,4,1,0.357,76,140,408.4,3.63,5,0.449,0.73,0.997,0.3199061065040093,0.48717531354944826,0.5933709135768624,0.5809745733671441,0.495356726749366
EOS-4-07323,CN(C)Cc1ccnc(COc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)c1,WENPNYCBSSNACZ-UHFFFAOYSA-N,4,1,0.571,90,636,419.876,3.352,4,0.473,0.75,0.999,0.48007333287643067,0.7242221232266466,0.7383318483996985,0.637816119525735,0.6451108560071277
EOS-4-07324,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c1F,NFXXAFHRHSVBSM-UHFFFAOYSA-N,4,1,0.512,58,28,455.425,3.744,5,0.36,0.59,1.0,0.8256545130559935,0.8501302172572134,0.6150795010622987,0.6173583030635323,0.7270556336097594
EOS-4-07325,Fc1c(Cl)ccnc1COc1cncc2nnc(-c3ccnc(-c4cccnn4)c3)n12,XLGGEAXLDBZYRJ-UHFFFAOYSA-N,4,1,0.5,24,486,434.822,3.41,5,0.414,0.66,0.966,0.6384072373380851,0.6567575902953876,0.5775906380645603,0.6145397847988486,0.6218238126242204
EOS-4-07326,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3)n12,AYYQHDTTYFMLDN-UHFFFAOYSA-N,4,1,0.554,65,904,418.457,4.07,5,0.414,0.75,1.0,0.8022411075320403,0.8258258515523268,0.6181036255225825,0.6019035706942636,0.7120185388253033
EOS-4-07327,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4csc(Cl)n4)nc3F)n12,PVLDQMSCDFHEGT-UHFFFAOYSA-N,4,1,0.53,58,271,471.88,4.258,5,0.342,0.65,1.0,0.8380851209649784,0.8624237543691317,0.6240233705708998,0.654992803783154,0.7448812624220411
EOS-4-07328,COc1nc(-c2ccc(F)nc2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,BNEQUUNKJMLVCV-UHFFFAOYSA-N,4,1,0.484,35,710,461.432,3.552,5,0.339,0.68,1.0,0.8283273935987938,0.7010657254471935,0.6181121924473991,0.5252895620588034,0.6681987183880475
EOS-4-07329,Fc1nccnc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,CHHDXKDBNXTRAR-UHFFFAOYSA-N,4,1,0.505,65,263,449.837,2.847,5,0.385,0.67,1.0,0.8099941744911247,0.8766448495648003,0.19258446987869235,0.24903193749571653,0.5320638578575834
EOS-4-07330,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(C)NC(C)=O)c(F)c4)n23)cc1Cl,BLSZPYWXBPLICR-UHFFFAOYSA-N,4,1,0.361,0,682,466.904,3.808,4,0.465,0.79,1.0,0.409738880131588,0.35933966143513124,0.7738074840655198,0.6082602289082311,0.5377865636351176
EOS-4-07331,Cc1cnnc(-c2cc(-c3nnc4cncc(OCc5cnnc(Cl)c5)n34)ccc2F)n1,FEOLOVGYENWQSM-UHFFFAOYSA-N,4,1,0.5,36,659,449.837,3.113,5,0.398,0.58,1.0,0.8836354602152011,0.8711363169076828,0.4256305256665068,0.4617315468439449,0.6605334624083339
EOS-4-07332,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)cn1,FDSQMBVCUHCONN-UHFFFAOYSA-N,4,1,0.542,35,143,454.277,4.165,5,0.352,0.57,1.0,0.762404907134535,0.7382290453018985,0.5576468370913576,0.617366869988349,0.668911914879035
EOS-4-07335,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4Cl)n23)c(F)c1,RRTTYAYIKVYENO-UHFFFAOYSA-N,4,1,0.355,66,999,458.831,4.476,5,0.446,0.84,0.98,0.3396528682064286,0.4737338085120965,0.7761376876156535,0.8370399561373449,0.606641080117881
EOS-4-07336,Fc1c(-c2nnc3cncc(OCCc4ncccn4)n23)cc(-c2ccsc2)nc1Cl,FTIDATCAGABNIQ-UHFFFAOYSA-N,4,1,0.483,75,795,453.89,4.119,5,0.357,0.64,1.0,0.7591152080049346,0.8066873415118909,0.38931533136865193,0.46174011376876156,0.6042144986635598
EOS-4-07337,Cc1nc(-c2ccc(F)nn2)ccc1-c1nnc2cncc(Cc3ccc(Cl)nc3)n12,FXZNCYJQCOKLGA-UHFFFAOYSA-N,4,1,0.325,85,81,432.85,3.73,5,0.399,0.71,0.991,0.3925022274004523,0.4117178397642382,0.4754300596257967,0.52529812898362,0.4512370639435268
EOS-4-07338,Fc1cnc(-c2cnnc(-c3cncc4nnc(-c5cncnc5-c5cnc(Cl)cn5)n34)c2)nc1,CPMNTBKQMQDDKP-UHFFFAOYSA-N,4,1,0.275,86,249,484.846,2.745,6,0.363,0.49,0.676,0.25615105201836746,0.344930093893496,0.1959512713316428,0.29092419984922213,0.2719891542731821
EOS-4-07339,Fc1cncc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)c1,VEHXVLLAPMLHBB-UHFFFAOYSA-N,4,1,0.483,24,912,439.863,4.076,5,0.381,0.65,0.991,0.7563052566650675,0.6860650400932081,0.629566170927284,0.6607069426358714,0.6831608525803577
EOS-4-07340,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Br)c(Cl)c4)n23)cc1F,PTHGQXGBGXTZDR-UHFFFAOYSA-N,4,1,0.416,0,188,486.732,4.906,5,0.445,0.88,1.0,0.4559574395175108,0.57476355287506,0.7509423617298334,0.8745031183606332,0.6640416181207593
EOS-4-07341,Fc1cc(F)nc(COc2cncc3nnc(-c4cc(-c5ncon5)ccc4Cl)n23)c1,ZLLCOHUBRRMYMG-UHFFFAOYSA-N,4,1,0.506,73,71,441.785,3.747,5,0.38,0.73,1.0,0.7296192858611473,0.8066959084367076,0.7484493866081832,0.7839764238229046,0.7671852511822357
EOS-4-07342,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cnc5F)n34)cc2)cs1,YCTACWKHCDHKLJ-UHFFFAOYSA-N,4,1,0.524,97,22,436.447,4.475,5,0.378,0.71,1.0,0.892767802069769,0.7859468165307382,0.7410561304913988,0.6812418614214242,0.7752531526283326
EOS-4-07343,Cc1nc(-c2cnccn2)ccc1-c1nnc2cncc(OCCc3c(F)cncc3F)n12,NNXPVPOQGRDRKI-UHFFFAOYSA-N,4,1,0.512,65,559,446.421,3.246,5,0.392,0.6,1.0,0.8305633609759441,0.7941025289562059,0.47214892742101294,0.44272154067575903,0.6348840895072305
EOS-4-07344,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cc1Cl,ADHWSKOEDZBEPB-UHFFFAOYSA-N,4,1,0.533,90,385,461.284,3.613,4,0.441,0.81,1.0,0.7822716057843876,0.6139229662120486,0.6781920361866904,0.6870930710712083,0.6903699198135838
EOS-4-07345,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5F)c(F)c4)n23)c(F)c1F,ORTTXXYBGCMJHO-UHFFFAOYSA-N,4,1,0.318,0,129,484.413,3.075,5,0.424,0.65,0.999,0.3859056952916181,0.4475532862723597,0.8970255637036529,0.8449900623672126,0.6438686519087109
EOS-4-07346,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12,GTNSKRMUXHHAHL-UHFFFAOYSA-N,4,1,0.489,65,263,449.837,2.847,5,0.385,0.66,1.0,0.8426769926667124,0.8818535398533343,0.2420156260708656,0.30003940785415667,0.5666463916112673
EOS-4-07347,CCOc1nc(Cl)ccc1-c1nnc2cncc(OCc3cncc(F)c3)n12,GEOWVNHGKYYQIK-UHFFFAOYSA-N,4,1,0.494,90,555,400.801,3.352,4,0.458,0.76,1.0,0.729627852785964,0.7731392639298198,0.5377201699677884,0.5085240901925845,0.6372528442190392
EOS-4-07348,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)nn4)n23)cc1F,GHFPFFOPLRESQB-UHFFFAOYSA-N,4,1,0.317,66,188,443.364,3.298,5,0.486,0.89,1.0,0.2376293605647317,0.33488109108354464,0.757401823041601,0.7441059557261326,0.5185045576040025
EOS-4-07349,N#Cc1ncc(F)cc1COc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,ZIWOSCZKRIMDOB-UHFFFAOYSA-N,4,1,0.483,24,912,430.428,3.295,5,0.417,0.64,1.0,0.7963898978822562,0.6810705229250908,0.5308237954903707,0.48617298334589815,0.623614299910904
EOS-4-07350,Cn1cc(-c2cc(Cc3cncc4nnc(-c5ccc(C(F)F)cn5)n34)ccc2Cl)cn1,JEYXMMVGALQXAC-UHFFFAOYSA-N,4,1,0.358,85,81,451.868,4.769,5,0.385,0.72,0.845,0.1908368172160921,0.3005619902679734,0.9299139880748406,0.9218353779727229,0.5857870433829073
EOS-4-07351,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4cnc(Cl)c(F)c4)n23)cc1F,VNUPKBIVVZDPKK-UHFFFAOYSA-N,4,1,0.333,14,291,466.883,3.808,5,0.383,0.74,1.0,0.3697570420121993,0.42526214789939004,0.7459307107120828,0.7493917483380166,0.5725854122404221
EOS-4-07352,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1cccnn1,AXZJKZCPSASPAT-UHFFFAOYSA-N,4,1,0.478,72,591,429.415,3.37,5,0.405,0.74,1.0,0.8962888081694195,0.6810790898499075,0.6564234802275375,0.542320608594339,0.6940279967103009
EOS-4-07353,COc1cc(-c2nnc3cncc(OCc4cc(Cl)ncc4F)n23)ccc1-c1cscn1,PVTMAEWVBYSTFI-UHFFFAOYSA-N,4,1,0.462,97,383,468.901,4.69,5,0.334,0.67,1.0,0.9105698718388048,0.8258344184771435,0.8081351518059078,0.7390172023850319,0.820889161126722
EOS-4-07354,Cn1ncc(-c2c(F)ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)c2F)n1,AJZPCYCVQOIOEA-UHFFFAOYSA-N,4,1,0.533,37,832,452.4,3.021,5,0.366,0.61,0.999,0.7822801727092044,0.7382376122267151,0.6388955520526352,0.6259680625042835,0.6963453498732095
EOS-4-07355,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4Cl)n23)ccn1,SGCGXFCJINWWIY-UHFFFAOYSA-N,4,1,0.605,35,352,469.357,5.238,5,0.317,0.65,1.0,0.782288739634021,0.8624323212939483,0.8081437187307244,0.8587399766979645,0.8279011890891647
EOS-4-07356,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1cccnn1,STMVSSBNLYRWPC-UHFFFAOYSA-N,4,1,0.473,4,390,434.822,3.41,5,0.387,0.6,0.949,0.6560722363100542,0.8595109999314646,0.5139212528270852,0.5682526900143924,0.6494392947707491
EOS-4-07357,N#Cc1cc(-c2nnc3cncc(OCc4sccc4F)n23)ccc1-c1cscn1,ZUOSCASEJWJPMI-UHFFFAOYSA-N,4,1,0.512,4,666,434.481,4.566,5,0.403,0.72,1.0,0.7793931190459873,0.8435850866972792,0.7574103899664176,0.7416472483037488,0.7805089610033582
EOS-4-07358,OCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cn1,CZULIGFPSNFTOT-UHFFFAOYSA-N,4,1,0.57,90,385,417.256,3.002,4,0.482,0.71,1.0,0.8176787060516757,0.8296809677198272,0.577599204989377,0.6287780138441506,0.7134342231512576
EOS-4-07360,N#Cc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4)n23)n1,NUMVEAYGBKDZEH-UHFFFAOYSA-N,4,1,0.457,72,22,425.387,2.628,5,0.417,0.7,1.0,0.8496847371667466,0.810319717634158,0.41067267493660475,0.38946953601535195,0.6150366664382154
EOS-4-07361,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1nc[nH]n1,MWTVVFCLONVQAJ-UHFFFAOYSA-N,4,1,0.558,43,718,417.404,3.303,5,0.452,0.69,1.0,0.8739462682475498,0.710540744294428,0.6506408059762867,0.5518384620656569,0.6967415701459804
EOS-4-07362,Cc1ccnc(-c2ccc(Cl)c(-c3nnc4cncc(OCCc5cccnc5)n34)c2)n1,NHNHIFJNLNGBLU-UHFFFAOYSA-N,4,1,0.576,35,509,443.898,4.227,5,0.388,0.78,1.0,0.9135083270509218,0.9106898087862381,0.5031697621821671,0.5019189911589336,0.7073217222945651
EOS-4-07363,Fc1ccc(-c2nnc3cncc(OCc4csc(Cl)n4)n23)cc1-c1cncnc1,JUJQPIKUFAULLK-UHFFFAOYSA-N,4,1,0.518,4,817,439.863,4.076,5,0.407,0.75,1.0,0.7264495236789802,0.8220649715578096,0.669976355287506,0.6983157425810431,0.7292016482763346
EOS-4-07364,Cc1nc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)ccc1-c1cscn1,ABESXTCWXDHDRC-UHFFFAOYSA-N,4,1,0.595,59,294,436.447,4.475,5,0.404,0.66,0.999,0.7822973065588377,0.7059574395175108,0.7531868960318004,0.720289904735796,0.7404328867109862
EOS-4-07365,N=c1[nH]nc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cc2F)s1,CQMFLJWWMZPGMI-UHFFFAOYSA-N,4,1,0.495,37,490,470.44,3.156,5,0.394,0.52,1.0,0.7707919265300528,0.627527242820917,0.5678414776231924,0.5713710506476595,0.6343829244054554
EOS-4-07366,Oc1nc(C(F)F)ccc1-c1nnc2cncc(Cc3cnc(CC4CC4)nn3)n12,GUPSFCLIESEBED-UHFFFAOYSA-N,4,1,0.341,78,455,410.388,2.558,5,0.516,0.54,0.782,0.277516962511137,0.3737320951271332,0.044907819888972654,0.13853574121033513,0.20867315468439446
EOS-4-07367,Fc1cc(-c2ccsn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,OXYJMVFURGJAAT-UHFFFAOYSA-N,4,1,0.612,11,0,418.457,4.07,5,0.414,0.74,1.0,0.7823058734836543,0.7902731135631553,0.6029830032211637,0.6019121376190802,0.6943685319717634
EOS-4-07368,Cc1nc(COc2cncc3nnc(-c4cc(-c5ccsc5)ccc4Cl)n23)ncc1F,YQBLAWANMHGVLX-UHFFFAOYSA-N,4,1,0.433,73,969,452.902,4.99,5,0.374,0.77,1.0,0.747575560276883,0.7773027893907203,0.6389041189774518,0.6898002193132753,0.7133956719895826
EOS-4-07369,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c(F)n2)cn1,ILXOEWKYUHMREK-UHFFFAOYSA-N,4,1,0.443,58,24,464.411,3.386,5,0.352,0.55,1.0,0.7708004934548695,0.8595195668562813,0.537728736892605,0.5155232677678021,0.6708930162428894
EOS-4-07370,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5COC5)c(F)c4)n23)c(F)c1F,DORQUMHHZLFZMY-UHFFFAOYSA-N,4,1,0.327,0,129,482.422,2.364,5,0.452,0.8,1.0,0.4395346446439586,0.4429614145706257,0.6835720649715578,0.6019207045438969,0.5419972071825098
EOS-4-07371,COc1cc(-c2nnc3cncc(OC4CCC(F)C4)n23)ccc1-c1cccnc1,YFGQLGKJRGQTEA-UHFFFAOYSA-N,4,1,0.481,5,548,405.433,4.131,5,0.497,0.65,1.0,0.7736789801932699,0.6761531080803235,0.6029915701459804,0.6348348296895346,0.671914622027277
EOS-4-07372,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc(F)c1F,ADXLLGWYJLSPPR-UHFFFAOYSA-N,4,1,0.353,0,188,434.381,3.639,5,0.529,0.86,1.0,0.3767390857377836,0.46949318072784596,0.8638629977383319,0.9041189774518539,0.6535535604139537
EOS-4-07373,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)nn5)n34)ccc2F)cn1,CTDSPASHNMHZDV-UHFFFAOYSA-N,4,1,0.483,4,253,432.394,3.204,5,0.417,0.7,1.0,0.782314440408471,0.7859553834555548,0.6150880679871154,0.5648516208621753,0.6870523781783292
EOS-4-07374,Cc1nc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)ccc1-c1cccnc1,XQCROMHEGMOGLA-UHFFFAOYSA-N,4,1,0.449,18,559,445.433,3.851,5,0.392,0.58,1.0,0.7851929271468714,0.6910509903365089,0.6355544513741347,0.6114128572407649,0.6808028065245699
EOS-4-07375,Clc1ccc(OCc2cncc3nnc(-c4ccc(-c5cncnc5)cc4)n23)nc1,GRZPOCBXJRXTJK-UHFFFAOYSA-N,4,1,0.421,14,351,415.844,3.876,5,0.43,0.75,1.0,0.5588804742649579,0.6372250017133849,0.6726235350558564,0.6723408265369063,0.6352674593927763
EOS-4-07376,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4OC)n23)ccc1-c1ccsc1,JPZHAPNNYSAPIB-UHFFFAOYSA-N,4,1,0.489,97,103,463.494,4.65,5,0.347,0.68,1.0,0.8305719279007607,0.7287454595298472,0.6998577890480433,0.5186501953258859,0.6944563429511342
EOS-4-07379,Cn1cncc1-c1ccc(-c2nnc3cncc(OC4CC(F)(F)C4)n23)cc1C#N,UVQZTKKLOASRCT-UHFFFAOYSA-N,4,1,0.427,68,548,407.384,3.24,5,0.516,0.65,0.945,0.7591237749297512,0.7242306901514632,0.8991330272085533,0.87451168528545,0.8142497943938045
EOS-4-07380,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1ccsc1,ZGYQAHQOCYUQAN-UHFFFAOYSA-N,4,1,0.532,35,103,481.94,5.337,5,0.312,0.53,1.0,0.897976492358303,0.8682578301692825,0.8610444794736481,0.8290555822082105,0.864083596052361
EOS-4-07382,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)nc1,ZWAOPSWSHZOWIW-UHFFFAOYSA-N,4,1,0.484,4,799,463.86,4.023,5,0.372,0.69,1.0,0.7907185936536221,0.8364145706257282,0.7048865739154273,0.6577941881982043,0.7474534815982454
EOS-4-07383,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)ccn2)ccn1,TUFCNIXBTUAHAZ-UHFFFAOYSA-N,4,1,0.512,75,496,427.443,3.712,5,0.382,0.71,1.0,0.9058666301144541,0.7287540264546638,0.5711568775272429,0.4921955314920156,0.6744932663970941
EOS-4-07384,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCc3ccc(C(F)F)nn3)n12,WFLOONIPENOPCO-UHFFFAOYSA-N,4,1,0.461,27,52,456.413,3.756,5,0.356,0.59,1.0,0.48254917414844767,0.6275358097457336,0.6265934480159002,0.5616561579055582,0.5745836474539099
EOS-4-07385,N#Cc1cc(NCc2cncc3nnc(-c4ccc(C(=O)NCCF)cc4)n23)ccc1F,MWXYDJNMXIBDRK-UHFFFAOYSA-N,4,1,0.424,0,678,433.422,3.113,4,0.464,0.82,1.0,0.33498389418134467,0.36399150161058186,0.6644763895552053,0.5485230621616065,0.47799371187718454
EOS-4-07386,CC(C)(O)c1cnc(-c2ncnc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)n2)cn1,MLZGAIIMFAUCOL-UHFFFAOYSA-N,4,1,0.315,29,849,470.884,2.853,5,0.415,0.65,0.814,0.3421287094784456,0.5011308340758002,0.4754386265506134,0.3894781029401686,0.42704406826125696
EOS-4-07387,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,IDHHNMPECKTHLO-UHFFFAOYSA-N,4,1,0.645,35,393,418.457,4.07,5,0.414,0.77,1.0,0.8204886573915428,0.8818621067781509,0.6621461860050716,0.6408145432115687,0.7513278733465836
EOS-4-07388,Cc1cnc(-c2cnc(-c3cncc4nnc(-c5ccc(CO)cn5)n34)c(F)c2)cn1,NSGYSIRULXWCIB-UHFFFAOYSA-N,4,1,0.303,50,432,414.404,2.645,5,0.477,0.58,0.88,0.32224487697895965,0.3972226029744363,0.4181344664519224,0.37977177712288396,0.3793434308820506
EOS-4-07389,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)cc2Cl)s1,ODUXNEKSBRMSDJ-UHFFFAOYSA-N,4,1,0.512,16,980,487.879,4.224,5,0.351,0.72,1.0,0.807535467068741,0.790281680487972,0.6209992461106162,0.6287865807689672,0.7119007436090741
EOS-4-07390,Fc1ccc(-c2nnc3cncc(OCc4ncc(F)c(Cl)n4)n23)cc1-c1c[nH]nn1,CRKDTPBJVBUDKU-UHFFFAOYSA-N,4,1,0.462,73,379,441.789,2.877,5,0.413,0.61,1.0,0.7382376122267151,0.7561424850935509,0.5869542868891783,0.6493986018778699,0.6826832465218285
EOS-4-07391,FC(F)c1nncc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)n1,KLELLVWFXQHZEH-UHFFFAOYSA-N,4,1,0.424,51,48,468.815,2.998,5,0.366,0.6,1.0,0.6157562881228155,0.6714327325063395,0.30008224247824,0.3064217668425742,0.47342325748749226
EOS-4-07392,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,GMDUYNWJFJEUTN-UHFFFAOYSA-N,4,1,0.47,73,196,439.863,4.076,5,0.407,0.69,1.0,0.6927386745253924,0.7561510520183675,0.5965920773079295,0.657802755123021,0.6758211397436775
EOS-4-07393,Fc1cc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)ccc1-c1nc[nH]n1,TXPOIVMVWMQGFD-UHFFFAOYSA-N,4,1,0.479,47,164,455.816,2.92,5,0.388,0.55,1.0,0.8909601809334521,0.865096634911932,0.4366475909807416,0.49830374888629975,0.6727520389281063
EOS-4-07395,Fc1ncncc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)nnc1Cl,WGNKRKSWBFWPMI-UHFFFAOYSA-N,4,1,0.385,53,208,471.243,2.853,5,0.353,0.67,0.744,0.6656757590295388,0.7242392570762799,0.36663868137893224,0.479961962853814,0.5591289150846412
EOS-4-07396,COc1cnc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cn2)nc1,IFSXGGNDLTWHOE-UHFFFAOYSA-N,4,1,0.461,55,879,430.403,2.765,5,0.401,0.78,1.0,0.8696114042903159,0.7516876841888835,0.4106812418614214,0.3096857651977246,0.5854165238845864
EOS-4-07397,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,YQOKYHKTOUPHEW-UHFFFAOYSA-N,4,1,0.556,35,795,418.457,4.07,5,0.414,0.74,1.0,0.7681276129120691,0.829689534644644,0.4790281680487972,0.5155318346926188,0.6480942875745322
EOS-4-07398,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)c1F,SMTJRFSWCNLJGR-UHFFFAOYSA-N,4,1,0.449,55,143,437.822,3.916,5,0.381,0.63,1.0,0.7879257761633884,0.7105493112192447,0.6120125419779316,0.5775906380645603,0.6720195668562812
EOS-4-07400,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)nc(F)n4)n23)c(F)c1,ZULNUXYIWGJUHV-UHFFFAOYSA-N,4,1,0.478,26,563,452.4,3.021,5,0.289,0.74,1.0,0.7591323418545679,0.7561596189431842,0.6266020149407169,0.5870228222877116,0.682229199506545
EOS-4-07401,Fc1ccc(CCOc2cncc3nnc(-c4ccsc4)n23)c(Cl)c1F,PCXOEYPPFHEOFH-UHFFFAOYSA-N,4,1,0.649,90,281,392.818,4.406,4,0.472,0.74,1.0,0.7080820368720444,0.6230039065177164,0.9371701733945583,0.9468936330614762,0.8037874374614489
EOS-4-07402,N#Cc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,ZXZSIULCTWIPMF-UHFFFAOYSA-N,4,1,0.511,11,201,443.467,3.942,5,0.366,0.64,1.0,0.9105784387636214,0.8845863888698513,0.7335686382016311,0.695608594338976,0.80608551504352
EOS-4-07403,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)n1,NORBXWXENQOICE-UHFFFAOYSA-N,4,1,0.442,20,262,433.382,2.333,5,0.372,0.63,1.0,0.7765746007813036,0.7644781029401686,0.19945514358165992,0.21710300870399563,0.4894027140017819
EOS-4-07404,COc1cc(-c2nnc3cncc(COc4ccncc4F)n23)ccc1-c1ccsc1,UBLUTORDIRWCHG-UHFFFAOYSA-N,4,1,0.417,14,767,433.468,4.642,5,0.388,0.71,1.0,0.6625916660955383,0.5560105544513742,0.8022068398327736,0.7010999931464601,0.6804772633815366
EOS-4-07405,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(F)c(-c5ncc(F)cn5)nn4)n23)cc1F,AJXNVPKPGMYTEL-UHFFFAOYSA-N,4,1,0.376,85,260,463.383,2.145,5,0.419,0.68,0.999,0.28580117880885475,0.3005705571927901,0.31851826468370914,0.36692138989788226,0.31795284764580906
EOS-4-07406,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCCc4ncccc4F)n23)c1,NDXFMEBRILOVIP-UHFFFAOYSA-N,4,1,0.523,35,699,442.479,4.547,5,0.383,0.62,1.0,0.8176872729764924,0.7815948187238709,0.7831711328901377,0.7886453978479885,0.7927746556096225
EOS-4-07407,Cc1cc(Oc2cncc3nnc(-c4ccc(-c5nccs5)c(F)n4)n23)ccc1F,GFJWPNDONILOHK-UHFFFAOYSA-N,4,1,0.452,13,573,422.42,4.689,5,0.391,0.68,1.0,0.7171629771777123,0.6665153176615722,0.697262010828593,0.6783805085326571,0.6898302035501337
EOS-4-07408,Fc1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)cc1-c1csnn1,FGKFHPYGIIRLLC-UHFFFAOYSA-N,4,1,0.456,73,526,458.841,3.61,5,0.368,0.68,1.0,0.5615533548077583,0.6957884997601261,0.5745579466794599,0.6435131245288191,0.6188532314440408
EOS-4-07409,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccc4F)n23)cc1,PJJDGMYNJISHAS-UHFFFAOYSA-N,4,1,0.655,48,378,439.878,3.955,4,0.471,0.79,1.0,0.7907271605784387,0.5994962648207799,0.704895140840244,0.6494071688026866,0.6861314337605373
EOS-4-07410,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)n23)cc1F,NCQZJWPZVKGHEZ-UHFFFAOYSA-N,4,1,0.418,62,504,484.466,4.348,5,0.386,0.9,1.0,0.22092385717222945,0.3106709615516414,0.7980004797477898,0.6983243095058598,0.5069799019943801
EOS-4-07411,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)n1,VERUWAOGYFSVOM-UHFFFAOYSA-N,4,1,0.484,87,143,438.81,3.045,5,0.291,0.62,1.0,0.7505140154890001,0.7335772051264479,0.3109451031457748,0.33458124871496125,0.532404393119046
EOS-4-07412,CC(F)(F)c1ncc(-c2nnc3cncc(OCCc4cccc(-c5cncnc5)n4)n23)cn1,FMPWDAPFXZOEOJ-UHFFFAOYSA-N,4,1,0.463,65,631,461.436,3.167,5,0.36,0.68,1.0,0.5703258858200261,0.5853265711740113,0.42563909259132343,0.2581985470495511,0.459872524158728
EOS-4-07413,Clc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12,PNNNWDBBYJDYCK-UHFFFAOYSA-N,4,1,0.692,11,28,469.357,5.238,5,0.317,0.68,1.0,0.7414844767322322,0.8736721266534165,0.6592334315674045,0.7596977588924679,0.7585219484613803
EOS-4-07415,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cscn1,XZVSHGSUKMEGCT-UHFFFAOYSA-N,4,1,0.539,11,729,443.467,3.942,5,0.366,0.67,1.0,0.9372644095675416,0.920284764580906,0.7459392776368995,0.7036786375162771,0.8267917723254061
EOS-4-07416,CCOc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(Cl)cn5)n34)cc2)nc1,DAAXMXRTIOEPDK-UHFFFAOYSA-N,4,1,0.36,96,856,429.871,4.362,5,0.409,0.77,1.0,0.4488468919196765,0.569914673428826,0.5102289082311013,0.5120365293674183,0.5102567507367555
EOS-4-07417,Cn1ccnc1-c1cc(F)c(-c2nnc3cncc(CCc4ncc(Cl)cn4)n23)cc1F,FOZLKZHWZQYXLJ-UHFFFAOYSA-N,4,1,0.349,73,353,452.856,3.699,5,0.404,0.68,0.999,0.369765608937016,0.4429699814954424,0.4790367349736139,0.577599204989377,0.4673428825988623
EOS-4-07418,Cc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,MSHMFGSFDGOKOB-UHFFFAOYSA-N,4,1,0.473,65,262,462.876,3.761,5,0.375,0.59,0.997,0.9043331505722706,0.8533342471386471,0.4256476595161401,0.4427301076005757,0.6565112912069083
EOS-4-07419,COc1cc(-c2nnc3cncc(Oc4cc(Cl)ccc4Cl)n23)ccc1-c1cncn1C,GSSBTJCBRLYKAC-UHFFFAOYSA-N,4,1,0.494,13,209,467.316,5.3,5,0.349,0.77,1.0,0.662600233020355,0.6187632787334658,0.8828387362072511,0.8603591254883147,0.7561403433623467
EOS-4-07420,Clc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3Cl)n12,ROQPPASERFDANA-UHFFFAOYSA-N,4,1,0.541,35,143,454.277,4.165,5,0.352,0.57,1.0,0.6988725926941265,0.7287625933794805,0.5838701939551778,0.6522171201425536,0.6659306250428346
EOS-4-07421,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1ccsn1,ZEBUFQPWDRJNRT-UHFFFAOYSA-N,4,1,0.624,91,955,447.495,4.684,5,0.361,0.74,1.0,0.9135168939757384,0.7983602905900897,0.7307843876362141,0.6550013707079707,0.7744157357275032
EOS-4-07422,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccnc(-c4cncs4)c3)n12,NZOFEYGHAUHDBI-UHFFFAOYSA-N,4,1,0.494,75,183,423.408,3.562,5,0.399,0.62,1.0,0.7736875471180865,0.6275443766705503,0.6450209032965527,0.620459529847166,0.6666780892330889
EOS-4-07425,Cc1ccnc(OCc2cncc3nnc(-c4ccc(-c5ccncn5)c(F)c4)n23)c1,XYZPYWAZZOBZPI-UHFFFAOYSA-N,4,1,0.388,14,351,413.416,3.67,5,0.434,0.67,1.0,0.6472226029744363,0.627552943595367,0.6450294702213694,0.5682612569392091,0.6220165684325955
EOS-4-07426,Fc1cc(-c2nnc3cncc(OCCc4ncncc4F)n23)ccc1-c1cocn1,OCAUOXLRULALOX-UHFFFAOYSA-N,4,1,0.5,37,490,421.367,3.136,5,0.412,0.67,1.0,0.8719159070659996,0.6957970666849428,0.5608337331231581,0.5682698238640258,0.6742041326845316
EOS-4-07427,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4Cl)n23)ccn1,QRENSXCZPCPFGS-UHFFFAOYSA-N,4,1,0.605,35,352,469.357,5.238,5,0.317,0.67,1.0,0.8283359605236105,0.9017545062024536,0.7831796998149544,0.8351895003769447,0.8371149167294909
EOS-4-07428,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,WERASEYTBCRRAQ-UHFFFAOYSA-N,4,1,0.552,11,0,452.902,4.724,5,0.371,0.73,1.0,0.8892125282708518,0.9017630731272702,0.7049037077650606,0.7494003152628332,0.811319906106504
EOS-4-07430,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C(C)(F)F)cn4)n23)cc1F,IRHJPICFXZMRRW-UHFFFAOYSA-N,4,1,0.34,68,306,427.39,3.249,4,0.525,0.86,0.999,0.24569940374203275,0.32998937701322734,0.783188266739771,0.6319477760263176,0.4977062058803372
EOS-4-07431,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(Cl)n2)nc1,GIUWNXYJDDSIBZ-UHFFFAOYSA-N,4,1,0.461,73,775,470.255,3.458,5,0.356,0.59,1.0,0.6838462065656912,0.7561681858680008,0.3666472483037489,0.47997052977863064,0.5716580426290179
EOS-4-07432,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5nnc(C)o5)c4)n23)c(F)c1F,CFYPMCVFRNMQPW-UHFFFAOYSA-N,4,1,0.318,96,26,465.395,3.594,5,0.432,0.74,1.0,0.2885939962990885,0.33488965800836135,0.6919076828181756,0.6287951476937839,0.4860466212048523
EOS-4-07433,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncco5)c(F)c4)n23)ncn1,ATHCYOJUCZFHTO-UHFFFAOYSA-N,4,1,0.5,11,563,428.387,2.869,5,0.401,0.63,1.0,0.9351912137619081,0.8067044753615242,0.4997087245562333,0.4523336303200603,0.6734845109999315
EOS-4-07434,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ncc4F)n23)cc1F,PQAPJHZRUBHECI-UHFFFAOYSA-N,4,1,0.547,37,353,451.412,3.626,5,0.367,0.63,1.0,0.9043417174970872,0.8793691316565005,0.8060362552258241,0.7672966212048523,0.8392609313960661
EOS-4-07435,Cc1ccc(F)cc1Oc1cncc2nnc(-c3cc(-c4cnc(C)c(C)c4)ncn3)n12,LRUMHJRISXRTFT-UHFFFAOYSA-N,4,1,0.378,44,971,427.443,4.5,5,0.417,0.65,0.998,0.6353831128778014,0.5282622849701871,0.6062470015763142,0.4891200054828319,0.5647531012267837
EOS-4-07437,Cc1nc(-c2ccccc2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,KXYATGRQYIYMFY-UHFFFAOYSA-N,4,1,0.547,11,201,442.91,4.832,5,0.374,0.72,1.0,0.8780412583099171,0.8435936536220958,0.5745665136042766,0.6173754369131657,0.7283942156123638
EOS-4-07438,CCc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5ncc(Cl)cn5)c4)n23)cn1,JEYKFBKQSUUFOK-UHFFFAOYSA-N,4,1,0.477,73,82,462.876,3.972,5,0.373,0.68,1.0,0.8330991707216777,0.8793776985813172,0.42565622644095674,0.43651052018367487,0.6436609039819067
EOS-4-07439,Fc1nc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,HGJCLYJXCNMZJU-UHFFFAOYSA-N,4,1,0.518,58,28,471.88,4.258,5,0.342,0.61,1.0,0.8256630799808101,0.9221866218902063,0.5512216434788568,0.590081214447262,0.7222881399492838
EOS-4-07440,COc1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1-c1cnco1,JWQWFVHPKRNQSN-UHFFFAOYSA-N,4,1,0.462,16,83,437.366,3.102,5,0.37,0.63,1.0,0.8126156534850251,0.6958056336097594,0.5805547940511274,0.44601123980535945,0.6337468302378179
EOS-4-07441,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)nc1,MZZLILZNXXTUBY-UHFFFAOYSA-N,4,1,0.468,90,683,444.829,3.099,4,0.459,0.77,1.0,0.5703344527448427,0.39241655815228565,0.7410646974162155,0.6843259543554245,0.5970354156671922
EOS-4-07442,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1,KHHWRXHIFSOWQW-UHFFFAOYSA-N,4,1,0.743,48,378,439.878,3.766,4,0.452,0.88,1.0,0.765163456925502,0.5609279692961414,0.59993317798643,0.5616647248303749,0.621922332259612
EOS-4-07443,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C(C)(F)F)cn4)n23)cc1F,UCPRMICLPCRORQ-UHFFFAOYSA-N,4,1,0.358,68,306,413.363,2.859,4,0.553,0.86,0.996,0.2590895072304846,0.3106795284764581,0.8405780960866287,0.6983328764306764,0.5271700020560619
EOS-4-07444,CC(C)(C)c1ncc(Cc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)cn1,MIRAASKFVDDUGK-UHFFFAOYSA-N,4,1,0.391,78,364,403.877,3.995,4,0.513,0.73,1.0,0.42114145706257283,0.4783599479130971,0.5139298197519019,0.4078113220478377,0.45531063669385236
EOS-4-07445,Fc1cnc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)n5)n34)ccn2)nc1,LGGFQBNAXNQLMW-UHFFFAOYSA-N,4,1,0.433,51,420,435.81,2.805,5,0.384,0.67,1.0,0.6959084367075594,0.6665238845863889,0.2598433966143513,0.30969433212254127,0.48299251250771025
EOS-4-07446,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)c4F)n23)cc1,DMWSHCCZHFJOCD-UHFFFAOYSA-N,4,1,0.582,43,178,437.385,3.583,5,0.391,0.69,1.0,0.8204972243163594,0.6860736070180248,0.8580117880885477,0.8310859433897608,0.7989171407031732
EOS-4-07447,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)cc1F,PMIXCHKFFPYTHF-UHFFFAOYSA-N,4,1,0.35,62,341,473.508,5.357,6,0.373,0.83,1.0,0.23497361387156465,0.31068809540127473,0.7255842642724968,0.8191436501953259,0.5225974059351656
EOS-4-07448,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4Cl)n23)ccc1-c1ncon1,OEITWFKVVNPYOA-UHFFFAOYSA-N,4,1,0.578,73,265,472.267,4.304,5,0.36,0.68,1.0,0.9163182783907888,0.862440888218765,0.7716571859365362,0.8310945103145775,0.8453777157151668
EOS-4-07449,Cc1cccnc1-c1cnc(-c2cncc3nnc(-c4cnc(-c5ccc(Cl)cn5)cn4)n23)cn1,KUNCIUHLDQVWRN-UHFFFAOYSA-N,4,1,0.305,86,443,478.907,4.124,6,0.368,0.65,1.0,0.24042217805496538,0.30549653896237405,0.26703961346035227,0.3314371873072442,0.28609887944623397
EOS-4-07450,Cc1coc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2Cl)n1,AUKRTZPIYULZJI-UHFFFAOYSA-N,4,1,0.558,35,161,450.861,4.564,5,0.374,0.7,1.0,0.8719244739908163,0.85013878418203,0.7205383455554794,0.7036872044410938,0.7865722020423549
EOS-4-07451,Fc1cncc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)nn2)c1,CYWFFAVTTMZQHE-UHFFFAOYSA-N,4,1,0.396,54,411,450.384,3.077,5,0.389,0.65,0.746,0.7414930436570488,0.7105578781440615,0.5933794805016791,0.6378246864505517,0.6708137721883353
EOS-4-07452,Fc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccns5)n34)c(F)c2)nc1,SECZMUJCWBMSBG-UHFFFAOYSA-N,4,1,0.519,73,82,423.408,3.562,5,0.427,0.68,1.0,0.817695839901309,0.7644866698649853,0.5377373038174217,0.5485316290864232,0.6671128606675347
EOS-4-07453,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(OCc3ncc(F)c(Cl)n3)n12,FNHBNOAOVZJUEK-UHFFFAOYSA-N,4,1,0.419,73,379,441.789,2.877,5,0.413,0.68,1.0,0.6898173531629086,0.7287711603042971,0.5745750805290932,0.6319563429511342,0.6562799842368583
EOS-4-07454,Fc1ccc(-c2cccnn2)nc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,KTHHSNSEBPOVKH-UHFFFAOYSA-N,4,1,0.43,4,390,434.822,3.41,5,0.387,0.59,0.964,0.6656843259543554,0.8624494551435816,0.5207233911315194,0.5745493797546433,0.6558516379960249
EOS-4-07455,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)cc1F,MKKQENKCSJDHDQ-UHFFFAOYSA-N,4,1,0.712,48,378,439.878,3.955,4,0.471,0.86,1.0,0.7879343430882051,0.5800921801110274,0.6756562264409568,0.6578113220478377,0.6753735179220066
EOS-4-07456,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)c(F)cc1-c1cnccn1,QOVYNIBEKAIXHP-UHFFFAOYSA-N,4,1,0.489,87,490,461.432,3.552,5,0.363,0.53,1.0,0.8256716469056268,0.7059660064423274,0.6699849222123226,0.5870313892125283,0.6971634911932014
EOS-4-07457,OCc1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)cc1,FIQBABXOBGIMAZ-UHFFFAOYSA-N,4,1,0.635,23,17,386.333,3.28,4,0.533,0.81,1.0,0.9877064628880817,0.9675142210951957,0.9807415530121307,0.9723373997669796,0.9770749091905969
EOS-4-07458,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)c1,XPXJXTPXWDKOQN-UHFFFAOYSA-N,4,1,0.518,35,143,454.277,4.165,5,0.352,0.64,1.0,0.744482900418066,0.7561767527928175,0.5547340826536906,0.6319649098759509,0.6718396614351313
EOS-4-07460,Fc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)ccn1,YIECBYILORMXDW-UHFFFAOYSA-N,4,1,0.482,24,565,439.863,4.076,5,0.381,0.61,1.0,0.7325491741484477,0.7197159207730793,0.645038037146186,0.6607155095606881,0.6895046604071002
EOS-4-07461,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)c(F)c1,VOAYMIIAPJKRBI-UHFFFAOYSA-N,4,1,0.374,0,21,463.444,3.759,5,0.428,0.89,1.0,0.21015523267767802,0.2134106641080118,0.07178226303885957,0.19392091015009252,0.17231726749366047
EOS-4-07462,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cnc(Cl)cn5)cn4)n23)cc1,PYPRMOHMCORWNP-UHFFFAOYSA-N,4,1,0.573,4,71,450.289,4.529,5,0.389,0.75,1.0,0.779401685970804,0.9369045987252416,0.7484579535329998,0.7999366047563566,0.8161752107463505
EOS-4-07463,CNCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,GZINPPRDFNNUFS-UHFFFAOYSA-N,4,1,0.565,90,400,429.311,3.834,4,0.481,0.78,0.999,0.7415016105818656,0.5995048317455967,0.7307929545610308,0.7622164347885683,0.7085039579192653
EOS-4-07464,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)ccc1F,GFXXQBUOJWKGRC-UHFFFAOYSA-N,4,1,0.548,34,607,453.84,4.097,5,0.398,0.74,1.0,0.8256802138304434,0.8400640805976287,0.8521434445891303,0.870228222877116,0.8470289904735796
EOS-4-07465,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)nc(F)n1,SXRUSPWOWWWZAK-UHFFFAOYSA-N,4,1,0.468,47,164,455.816,2.92,5,0.306,0.77,1.0,0.8256887807552601,0.8651052018367487,0.4721574943458296,0.5155404016174354,0.6696229696388185
EOS-4-07466,CCc1ccncc1-c1nnc2cncc(OCCc3ccc(Cl)c(F)c3)n12,JULYMJUDUAQWBQ-UHFFFAOYSA-N,4,1,0.74,90,281,397.841,4.163,4,0.488,0.81,1.0,0.8696199712151326,0.8711448838324994,0.8143119045987253,0.810705229250908,0.8414454972243163
EOS-4-07467,Clc1cnc(-c2ccc(-c3nnc4cncc(-c5ccc(-c6ccncn6)cn5)n34)cc2)c(Cl)c1,UAZSBRUHSZYOEO-UHFFFAOYSA-N,4,1,0.301,32,479,497.349,5.679,6,0.309,0.71,1.0,0.3349924611061613,0.40678329106983757,0.8060448221506408,0.8568809540127476,0.6011753820848469
EOS-4-07468,COc1cc(-c2nnc3cncc(OCc4cncc(Cl)c4)n23)ccc1-c1ccsc1,CNIRVLKMHPMFNJ-UHFFFAOYSA-N,4,1,0.506,97,103,449.923,5.156,5,0.356,0.67,1.0,0.8696285381399493,0.7644952367898019,0.812512850387225,0.7648464807072853,0.8028707765060654
EOS-4-07469,Cc1nc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cn4)n23)ccc1-c1ncon1,ALLDXQWWZHBWPC-UHFFFAOYSA-N,4,1,0.484,27,69,470.371,3.417,5,0.364,0.57,1.0,0.6717411417997395,0.5853351380988281,0.7383404153245151,0.5682783907888425,0.6409237715029813
EOS-4-07470,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,WTLKHSNUAFBENX-UHFFFAOYSA-N,4,1,0.529,35,143,471.88,4.258,5,0.342,0.53,1.0,0.704920841614694,0.8364231375505449,0.707396682886711,0.7365156603385649,0.7463140805976287
EOS-4-07471,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(C(F)F)cn4)n23)c(Cl)c1,KCBCASNEGCQEGK-UHFFFAOYSA-N,4,1,0.457,68,12,459.844,3.501,4,0.45,0.66,1.0,0.49473990816256597,0.5653742032759921,0.615096634911932,0.5218542252073196,0.5492662428894524
EOS-4-07472,Cc1noc(COc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)c1Cl,IBILWEQJYRBRRM-UHFFFAOYSA-N,4,1,0.529,97,666,436.834,4.521,5,0.4,0.75,1.0,0.9089849907477212,0.8181070522925091,0.6355630182989515,0.6752878486738401,0.7594857275032555
EOS-4-07473,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,KWLZVDJRIDGOLN-UHFFFAOYSA-N,4,1,0.628,35,234,418.457,4.07,5,0.414,0.74,1.0,0.8403981906654787,0.8736806935782332,0.6325131930642177,0.6204680967719828,0.7417650435199781
EOS-4-07474,Clc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,DEZXGQNTQGGREU-UHFFFAOYSA-N,4,1,0.628,35,234,434.912,4.585,5,0.389,0.68,1.0,0.7264580906037968,0.8364317044753615,0.6621547529298882,0.7036957713659104,0.7321850798437393
EOS-4-07475,Fc1nnccc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccn1,HOSCTLCRWHVDSK-UHFFFAOYSA-N,4,1,0.483,53,208,435.81,2.805,5,0.41,0.5,1.0,0.6014837913782468,0.6417654718662189,0.4075800150777877,0.44601980673017616,0.5242122712631074
EOS-4-07476,Clc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,NROFJALAZGKOFA-UHFFFAOYSA-N,4,1,0.58,35,202,434.912,4.585,5,0.389,0.69,1.0,0.7736961140429032,0.8736892605030498,0.6644849564800219,0.7175741895689124,0.7573611301487219
EOS-4-07477,COc1ccc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)cc1-c1cncs1,XSRCHPCGMLGXBY-UHFFFAOYSA-N,4,1,0.529,16,980,468.901,4.69,5,0.357,0.72,1.0,0.8651908710849153,0.8142433692001919,0.8040658625179905,0.7544719347543006,0.8094930093893496
EOS-4-07478,Cn1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)cc1-c1ncccn1,RWNMELTWTGLFFR-UHFFFAOYSA-N,4,1,0.386,95,956,440.801,3.706,5,0.42,0.66,1.0,0.45809060379686106,0.4606863820163114,0.5512302104036735,0.6114214241655815,0.5203571550956069
EOS-4-07479,Fc1cncc(CCOc2cncc3nnc(-c4cccc(-c5cccnn5)c4)n23)c1,MYFUYWWBTSYBDL-UHFFFAOYSA-N,4,1,0.545,72,628,413.416,3.404,5,0.421,0.74,1.0,0.8560756630799808,0.7902902474127887,0.5838787608799945,0.5809831402919607,0.7028069529161811
EOS-4-07480,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,DXEAXMRJMNGOAW-UHFFFAOYSA-N,4,1,0.571,35,143,418.457,4.07,5,0.387,0.78,1.0,0.7354704955109314,0.7859639503803715,0.5479062435748064,0.5323487081077376,0.6504223493934617
EOS-4-07481,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccsc1F,TVHAMZBFOFNUQJ-UHFFFAOYSA-N,4,1,0.534,35,982,465.485,4.823,5,0.343,0.73,1.0,0.8909687478582689,0.8026180522239736,0.8638715646631485,0.7907528613528888,0.8370528065245699
EOS-4-07482,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)c1,ZAWYAPAUVNJICU-UHFFFAOYSA-N,4,1,0.5,65,904,427.443,3.712,5,0.408,0.72,1.0,0.8256973476800767,0.8595281337810979,0.6151052018367487,0.5552309642930574,0.7138904118977452
EOS-4-07483,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,UFDUXFUYJMIACL-UHFFFAOYSA-N,4,1,0.692,11,28,436.447,4.21,5,0.371,0.75,1.0,0.7651720238503187,0.8711534507573162,0.5933880474264958,0.6114299910903982,0.7102858782811321
EOS-4-07485,FC(F)(F)c1ccc(-c2ncc(-c3nnc4cncc(OCCc5cnccn5)n34)c(Cl)n2)nn1,GQENELVYELMQGC-UHFFFAOYSA-N,4,1,0.469,20,658,500.832,3.122,5,0.32,0.5,1.0,0.6898259200877254,0.7731478308546365,0.5547426495785073,0.46805393735864576,0.6214425844698787
EOS-4-07486,COc1cc(-c2nnc3cncc(OCCc4cccc(C#N)c4F)n23)ccc1-c1cccnn1,TWBLRUCXSPKKAZ-UHFFFAOYSA-N,4,1,0.559,91,925,467.464,3.889,5,0.354,0.6,1.0,0.9743249263244466,0.9369131656500582,0.8195462956617092,0.7149698444246453,0.8614385580152149
EOS-4-07487,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1Cl,KBDMMZXLJTZHDE-UHFFFAOYSA-N,4,1,0.54,11,490,452.902,4.724,5,0.371,0.57,1.0,0.8759937632787335,0.9106983757110547,0.6863734493866082,0.7365242272633815,0.8023974539099444
EOS-4-07488,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsn5)c(F)c4)n23)ccn1,BJVSZLWOIJSUKA-UHFFFAOYSA-N,4,1,0.581,35,626,437.435,3.605,5,0.375,0.61,1.0,0.9216811733260228,0.8296981015694607,0.672632101980673,0.6694195051744226,0.7733577205126448
EOS-4-07489,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5COC5)cc4Cl)n23)cn1,PVDVFECVHWYOHI-UHFFFAOYSA-N,4,1,0.396,63,364,485.882,3.066,5,0.447,0.7,1.0,0.2914382153382222,0.36902028647796586,0.5643547392228085,0.4460283736549928,0.4177104036734973
EOS-4-07490,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCc3nccc(Cl)c3F)n12,VEZHALBBFZGTFG-UHFFFAOYSA-N,4,1,0.483,24,28,457.853,4.215,5,0.365,0.57,0.998,0.6868617641011583,0.8067130422863409,0.6062555685011308,0.6578198889726544,0.6894125659653212
EOS-4-07491,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4cnsn4)c3)n12,UNXIOLVATJRGBH-UHFFFAOYSA-N,4,1,0.553,35,161,437.435,3.605,5,0.401,0.65,1.0,0.8780498252347337,0.8103282845589748,0.6835806318963745,0.6956171612637927,0.766893975738469
EOS-4-07492,COc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cn2)nc1,KBPJIICUANRNGN-UHFFFAOYSA-N,4,1,0.467,24,786,447.405,3.509,5,0.365,0.68,1.0,0.7049294085395107,0.7429151531766157,0.6810533890754574,0.5713796175724762,0.675069392091015
EOS-4-07493,Fc1cnc(-c2nccc(-c3nnc4cncc(OCCc5ncccc5F)n34)n2)nc1,MITOYQPXJLBQIC-UHFFFAOYSA-N,4,1,0.421,18,775,433.382,2.333,5,0.398,0.63,0.997,0.6592934000411212,0.5419779316016723,0.14185114111438557,0.18848091289150845,0.3829008464121718
EOS-4-07494,Fc1cc(-c2nnc3cncc(OCc4nncc(-c5ccccc5)n4)n23)ccc1-c1ncccn1,LWIJLLCHYYRSJA-UHFFFAOYSA-N,4,1,0.436,40,177,477.463,3.818,6,0.353,0.61,1.0,0.7936827496401891,0.7816033856486876,0.37051093139606606,0.4015060653827702,0.5868257830169282
EOS-4-07495,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c(F)c1,UDVFPTWLQFDJHS-UHFFFAOYSA-N,4,1,0.506,73,353,437.385,3.583,5,0.391,0.72,1.0,0.689834487012542,0.7429237201014324,0.7956617092728394,0.767305188129669,0.7489312761291207
EOS-4-07496,Clc1cncc(Cl)c1CCOc1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,CHAKAXXVSAVMFF-UHFFFAOYSA-N,4,1,0.622,35,559,469.357,5.238,5,0.339,0.67,1.0,0.8994328695771366,0.9221951888150229,0.7554057295593174,0.8211654444520595,0.8495498081008841
EOS-4-07497,Fc1ccnnc1-c1cccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)n1,UGHQSQUHJXOPJR-UHFFFAOYSA-N,4,1,0.467,4,390,434.822,3.41,5,0.387,0.58,0.998,0.67482523473374,0.8400726475224454,0.5031783291069838,0.5585206634226578,0.6441492186964568
EOS-4-07498,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)n5)n34)ccn2)ncn1,OAGBYVHBVHOWFO-UHFFFAOYSA-N,4,1,0.451,7,486,435.81,2.805,5,0.384,0.63,1.0,0.5615619217325749,0.6275615105201837,0.4106898087862381,0.4334521280241245,0.5083163422657803
EOS-4-07499,FCc1cc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)ncn1,FJPLHWBACQAQEF-UHFFFAOYSA-N,4,1,0.43,51,199,449.837,3.135,5,0.385,0.56,1.0,0.6440871084915358,0.6041566719210473,0.2892193818107052,0.3000479747789733,0.45937778425056536
EOS-4-07500,FCc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)c(Cl)n1,TYDHTHHMECQGAB-UHFFFAOYSA-N,4,1,0.484,75,324,463.864,3.178,5,0.358,0.55,1.0,0.6717497087245562,0.6761616750051401,0.17308614899595642,0.2255157288739634,0.43662831539990404
EOS-4-07501,COc1cc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)ccc1-c1ccsc1,UUQVDMLBHFRQNX-UHFFFAOYSA-N,4,1,0.489,97,83,467.913,5.295,5,0.337,0.57,1.0,0.8205057912411761,0.8026266191487903,0.8610530463984648,0.8290641491330272,0.8283124014803646
EOS-4-07502,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5cnsc5)nc4Cl)n23)c1,KVQYSNRRRDWVOA-UHFFFAOYSA-N,4,1,0.5,4,143,457.853,4.215,5,0.365,0.59,1.0,0.5149664176547186,0.7287797272291139,0.7023593310945103,0.7468902062915496,0.6732489205674731
EOS-4-07503,CCCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)c4)n23)cc1,JSUKFFFIRHPIIU-UHFFFAOYSA-N,4,1,0.805,48,378,453.905,4.345,4,0.429,0.9,1.0,0.6384158042629018,0.39723116989925294,0.6420824480844356,0.5809917072167775,0.564680282365842
EOS-4-07504,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)cn2)cn1,VHNZMPGCYUUVND-UHFFFAOYSA-N,4,1,0.521,65,981,446.421,3.246,5,0.366,0.62,1.0,0.8205143581659927,0.8624580220683983,0.5409499006236721,0.46472140360496195,0.6721609211157562
EOS-4-07506,Fc1cncc(CCCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c1,ZLCDJWJJRYZYAS-UHFFFAOYSA-N,4,1,0.468,47,164,434.41,3.261,5,0.392,0.59,1.0,0.8542080734699472,0.742932287026249,0.5175793297238024,0.5454132684531561,0.6650332396682886
EOS-4-07507,Oc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cccnn1,LGRZHFQOAFHAQU-UHFFFAOYSA-N,4,1,0.5,72,386,429.415,3.11,5,0.438,0.6,1.0,0.8047426495785073,0.7473271194571997,0.4721660612706463,0.4490439311904599,0.6183199403742033
EOS-4-07508,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5ccc(F)cn5)n34)ccc2F)o1,HKJWKCKFNBJMEY-UHFFFAOYSA-N,4,1,0.561,4,71,420.379,4.007,5,0.424,0.71,1.0,0.8305804948255774,0.7731563977794531,0.7785192927146871,0.722817147556713,0.7762683332191077
EOS-4-07509,N#Cc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ncccc3F)n12,ADQDNXNNTDKBBB-UHFFFAOYSA-N,4,1,0.464,72,386,438.426,3.276,5,0.397,0.65,1.0,0.8560842300047975,0.884594955794668,0.6062641354259475,0.6019292714687136,0.7372181481735316
EOS-4-07510,N#Cc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1nnco1,IOUGMVFEGQNNKM-UHFFFAOYSA-N,4,1,0.516,72,386,428.387,2.869,5,0.375,0.67,0.995,0.9372729764923583,0.862466588993215,0.5776077719141937,0.5287763004591872,0.7265309094647385
EOS-4-07511,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)nc4)n23)c1,NQLUTAPHIMTWSL-UHFFFAOYSA-N,4,1,0.545,65,324,430.859,3.313,5,0.404,0.75,1.0,0.8177044068261257,0.895140840243986,0.42184394489753957,0.44603694057980947,0.6451815331368652
EOS-4-07512,Fc1cncc(F)c1COc1cncc2nnc(-c3ccnc(-c4cncs4)c3)n12,CVOXCBVMFYMOLZ-UHFFFAOYSA-N,4,1,0.512,2,980,423.408,3.562,5,0.427,0.68,1.0,0.7264666575286135,0.6324275238160509,0.6672520731958056,0.6466057843876362,0.6681880097320266
EOS-4-07513,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)c(Cl)c4)n23)c1,ODBHLVSYTLLYII-UHFFFAOYSA-N,4,1,0.565,37,619,454.277,4.165,5,0.377,0.69,1.0,0.871933040915633,0.840081214447262,0.6450466040710027,0.7202984716606127,0.7693398327736276
EOS-4-07514,Fc1ncc(COc2cncc3nnc(-c4ccc(-c5cncs5)nc4Cl)n23)s1,MNMVAGPRCYIDIV-UHFFFAOYSA-N,4,1,0.482,55,143,445.892,4.138,5,0.375,0.52,1.0,0.7382461791515318,0.7473356863820163,0.34809985607566307,0.40431601672263723,0.5594994345829621
EOS-4-07515,Fc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3Cl)n12,JXSAYIUTZLZFBV-UHFFFAOYSA-N,4,1,0.529,35,143,471.88,4.258,5,0.342,0.62,1.0,0.7681361798368858,0.9042217805496539,0.6810619560002742,0.7095812487149613,0.7657502912754437
EOS-4-07516,Cn1cc(-c2nc(Cc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ccc2Cl)cn1,AIOSAJBLAREDKA-UHFFFAOYSA-N,4,1,0.369,85,290,452.856,4.164,5,0.398,0.65,0.988,0.2293794119662806,0.3831642793502844,0.7484665204578165,0.7255328627235967,0.5216357686244946
EOS-4-07517,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nc(F)ncc4F)n23)c(F)c1,BFFKDARFHYUNAQ-UHFFFAOYSA-N,4,1,0.478,26,563,452.4,3.021,5,0.366,0.62,1.0,0.7624134740593517,0.719724487697896,0.5966006442327462,0.5713881844972929,0.6625316976218216
EOS-4-07518,O=C(NCC1CCCC1)c1ccc(-c2nnc3cncc(Cc4cccc(Cl)c4F)n23)cc1,JYQVZAOCPOSBMF-UHFFFAOYSA-N,4,1,0.439,0,646,463.944,5.095,5,0.432,0.91,1.0,0.3511668151600302,0.339824206702762,0.25288705366321707,0.5485401960112398,0.37310456788431223
EOS-4-07519,OCc1cc(-c2nnc3cncc(OCc4ncc(Cl)s4)n23)ccc1Cl,RMHMYIQTZFRASO-UHFFFAOYSA-N,4,1,0.55,90,708,408.27,3.626,4,0.543,0.75,1.0,0.6626087999451716,0.7689757384689192,0.6756647933657735,0.7597063258172846,0.7167389143992873
EOS-4-07520,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCCOc3ccccc3)n12,HVZKNKSRNXNBGG-UHFFFAOYSA-N,4,1,0.506,11,28,448.483,4.297,5,0.258,0.75,1.0,0.692747241450209,0.6860821739428414,0.3591597560139812,0.3636659584675485,0.525413782468645
EOS-4-07521,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(C(F)(F)F)nc(CC)n4)n23)cc1,OPDNJCXZXNEHDR-UHFFFAOYSA-N,4,1,0.36,66,437,441.417,3.579,4,0.508,0.81,1.0,0.32489205674731,0.27987286683572066,0.6181207593722158,0.36367452539236517,0.3966400520869029
EOS-4-07522,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)cc1C,ASLJVHYJPJXLHX-UHFFFAOYSA-N,4,1,0.343,66,542,413.363,2.935,4,0.555,0.86,1.0,0.2914467822630389,0.2592779795764512,0.8178414776231924,0.5932766774038791,0.4904607292166404
EOS-4-07523,Fc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1ncc(Cl)cn1,SVNNIQAZVATUDJ-UHFFFAOYSA-N,4,1,0.538,73,82,439.863,4.076,5,0.407,0.66,1.0,0.8739548351723665,0.8220735384826263,0.5409584675484888,0.5990507847303133,0.7090094064834487
EOS-4-07524,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)nc(C)c4Cl)n23)c(F)c1,WLCCIBACWSSQRB-UHFFFAOYSA-N,4,1,0.56,90,133,458.856,3.407,4,0.445,0.71,1.0,0.5588890411897746,0.5699232403536426,0.6810705229250908,0.6082687958330477,0.604537900075389
EOS-4-07525,O=C(NCCF)c1ccc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)cc1,UDPRRNNUTVHZBR-UHFFFAOYSA-N,4,1,0.489,90,12,444.829,3.257,4,0.47,0.79,0.999,0.6384243711877184,0.47374237543691317,0.5901154821465286,0.5518470289904736,0.5635323144404085
EOS-4-07526,COc1nc(-c2ncccc2F)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,DWKGTVLZFXIULY-UHFFFAOYSA-N,4,1,0.505,58,710,461.432,3.552,5,0.339,0.68,1.0,0.8674097046124323,0.6958142005345761,0.517587896648619,0.4460455075046261,0.6317143273250634
EOS-4-07527,O=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cc2F)n[nH]1,NSOHSZFBVZMUQK-UHFFFAOYSA-N,4,1,0.533,35,325,448.393,2.231,5,0.392,0.59,1.0,0.830589061750394,0.6567661572202043,0.47904530189843053,0.47997909670344735,0.611594904393119
EOS-4-07528,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)s5)n34)cc2F)cs1,VFILPCGFBWUBNJ-UHFFFAOYSA-N,4,1,0.549,4,554,441.488,5.142,5,0.378,0.71,1.0,0.785201494071688,0.7902988143376054,0.7410732643410322,0.709589815639778,0.7565408470975259
EOS-4-07529,Cc1cc(-c2nnc3cncc(Oc4ccc(Br)cc4F)n23)ccc1-c1cncn1C,ODJCKDJRDGKNJU-UHFFFAOYSA-N,4,1,0.483,13,145,479.313,5.194,5,0.355,0.8,1.0,0.6500411212391201,0.6372335686382017,0.8696199712151326,0.8230244671372764,0.7449797820574326
EOS-4-07530,Fc1nccnc1-c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nn1,HCNVHCDQDNXQHF-UHFFFAOYSA-N,4,1,0.585,37,132,448.849,3.452,5,0.389,0.72,0.961,0.9522993626207936,0.9770663422657803,0.3705194983208827,0.4769978068672469,0.6942207525186759
EOS-4-07531,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)cc1F,IEBWWLBSXRZNMD-UHFFFAOYSA-N,4,1,0.523,73,353,437.385,3.583,5,0.391,0.66,1.0,0.7325577410732643,0.7601689397573846,0.8003306832979233,0.7721283668014529,0.7662964327325064
EOS-4-07533,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cncc(Cl)c4F)n23)cc1Cl,ZOPWVGUZZBCFHD-UHFFFAOYSA-N,4,1,0.506,73,353,470.295,4.612,5,0.373,0.68,1.0,0.869637105064766,0.8026351860736071,0.8638801315879652,0.8814851620862175,0.8544093962031388
EOS-4-07534,Cc1nc(-c2nnc3cncc(OCCc4ccc(F)nc4Cl)n23)ccc1-c1ncc(F)cn1,BYBKBSPQWUEGDU-UHFFFAOYSA-N,4,1,0.436,18,773,480.866,3.9,5,0.337,0.61,1.0,0.8855030498252348,0.8501473511068467,0.4754471934754301,0.5053543280104174,0.6791129806044822
EOS-4-07535,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,YNOSHNFAAPUCOV-UHFFFAOYSA-N,4,1,0.59,35,352,418.457,4.07,5,0.387,0.75,1.0,0.9135254609005551,0.897385374545953,0.6091511890891645,0.5840758001507779,0.7510344561716127
EOS-4-07536,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ncccn1,ILCPBBGZINJXHC-UHFFFAOYSA-N,4,1,0.54,35,729,443.442,3.413,5,0.353,0.71,1.0,0.9466451922417929,0.8067216092111575,0.5377458707422383,0.40781988897265437,0.6747331402919609
EOS-4-07538,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3sncc3F)n12,CTTOPMVHZTZVJE-UHFFFAOYSA-N,4,1,0.494,97,772,428.449,4.229,5,0.417,0.63,1.0,0.6748338016585567,0.7197330546227126,0.5207319580563361,0.5616732917551915,0.6192430265231992
EOS-4-07539,O=C(NCCF)c1ccc(-c2nnc3cncc(CNc4ccc(OC(F)F)nn4)n23)cc1,OZYHACCCXCRAPN-UHFFFAOYSA-N,4,1,0.422,66,12,458.404,2.494,4,0.393,0.69,1.0,0.34688335275169624,0.177378178329107,0.3966828867109862,0.24904050442053322,0.29249623055308066
EOS-4-07540,O=C(c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)c(F)c4)n23)cc1)N1CCCCC1,BGQFWIVDNOCJCL-UHFFFAOYSA-N,4,1,0.385,62,376,477.543,5.891,6,0.324,0.87,1.0,0.12139332465218285,0.1309368788979508,0.10204064149133027,0.39846480707285314,0.18820891302857926
EOS-4-07541,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncsn5)cc4)n23)nc1C(F)F,CIQLVCFCSHMTBT-UHFFFAOYSA-N,4,1,0.482,73,19,456.413,3.756,5,0.381,0.61,1.0,0.7681447467617024,0.7335857720512645,0.5444623397985059,0.46472997052977866,0.6277307072853129
EOS-4-07542,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccnc(F)c5F)cc4)n23)cc1F,AZDOLDCDJZWLEU-UHFFFAOYSA-N,4,1,0.327,62,341,486.457,4.83,6,0.36,0.84,1.0,0.35835446508121443,0.44756185319717634,0.8234099787540264,0.8667671852511822,0.6240233705708998
EOS-4-07543,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)cc1F,QVUOZUBTGUTLSR-UHFFFAOYSA-N,4,1,0.545,37,353,451.412,3.626,5,0.367,0.59,1.0,0.8994414365019533,0.889752244534302,0.8022154067575903,0.7597148927421012,0.8377809951339867
EOS-4-07544,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)c1,URUNLVAEDWNIBC-UHFFFAOYSA-N,4,1,0.544,65,262,414.404,2.799,5,0.418,0.72,1.0,0.8696456719895826,0.8682663970940991,0.3402268521691454,0.3247806867246933,0.60072990199438
EOS-4-07545,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccc(-c4cnsn4)cc3)n12,NEBKEBVNNYDFNB-UHFFFAOYSA-N,4,1,0.554,35,265,453.89,4.119,5,0.382,0.59,1.0,0.9089935576725379,0.8711620176821329,0.6699934891371393,0.7065999588787609,0.7891872558426427
EOS-4-07546,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,KTFKARROEIVZIE-UHFFFAOYSA-N,4,1,0.506,37,832,455.425,3.744,5,0.385,0.66,1.0,0.607232197930231,0.6860907408676582,0.7049122746898773,0.7365327941881982,0.6836920019189912
EOS-4-07548,N#Cc1ccc(-c2nnc3cncc(Oc4ncc(-c5ccon5)cc4F)n23)c(F)n1,GASVENBHMUEHGS-UHFFFAOYSA-N,4,1,0.368,13,412,418.323,3.178,5,0.404,0.66,1.0,0.6838547734905078,0.6417740387910356,0.6592419984922212,0.6114385580152149,0.6490773421972449
EOS-4-07549,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5nncs5)cc4Cl)n23)ccn1,VAXQYPVAJPGQAU-UHFFFAOYSA-N,4,1,0.376,14,487,439.863,4.076,5,0.381,0.7,1.0,0.4580991707216778,0.5948701254197793,0.6564320471523541,0.6956257281886095,0.6012567678706052
EOS-4-07550,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)cc2F)cn1,GBINDPVCWUSLOD-UHFFFAOYSA-N,4,1,0.506,4,354,448.849,3.718,5,0.375,0.67,1.0,0.7534867384003838,0.7903073812624221,0.6210078130354328,0.6019378383935302,0.6916849427729422
EOS-4-07551,FCCCc1nc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1ccccn1,DUAOBDIWFVJZDM-UHFFFAOYSA-N,4,1,0.412,51,924,476.903,4.173,5,0.328,0.63,0.92,0.6560808032348708,0.6275700774450004,0.14773661846343636,0.21991296004386265,0.41282511479679257
EOS-4-07552,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3F)n12,KIJWBOPCEGWYMT-UHFFFAOYSA-N,4,1,0.552,37,832,471.88,4.258,5,0.342,0.62,1.0,0.686870331025975,0.7903159481872387,0.7761462545404701,0.8107137961757248,0.7660115824823521
EOS-4-07553,Fc1cncc(-c2ncc(Cl)cc2-c2nnc3cncc(-c4cnn(C5CC5)c4)n23)c1,CKNMUEYRVSACIX-UHFFFAOYSA-N,4,1,0.274,50,859,432.85,4.239,6,0.422,0.68,0.985,0.13552875059968475,0.24928894524021658,0.3185268316085258,0.5810002741415942,0.32108620039750535
EOS-4-07554,N#Cc1cc(-c2nnc3cncc(OCc4nc(-c5ccccn5)c(F)s4)n23)ccc1Cl,PTPWAFGFHLCPCJ-UHFFFAOYSA-N,4,1,0.54,24,633,463.885,4.553,5,0.376,0.69,0.987,0.7765831677061202,0.8682749640189158,0.6355715852237681,0.7011085600712769,0.7453845692550203
EOS-4-07555,Cc1c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc(Cl)c1F,PWSHREJIFQMLFZ-UHFFFAOYSA-N,4,1,0.35,0,188,439.853,4.591,5,0.505,0.9,1.0,0.36511376876156537,0.5282708518950038,0.7738160509903365,0.865250839558632,0.6331128778013844
EOS-4-07557,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cc1F,JHLUBQPRHLMVHD-UHFFFAOYSA-N,4,1,0.533,90,385,461.284,3.613,4,0.441,0.79,1.0,0.7823230073332876,0.6089712836680146,0.6782006031115071,0.6812504283462408,0.6876863306147625
EOS-4-07558,Fc1occc1COc1cncc2nnc(-c3cc(Cl)nc(-c4cscn4)c3)n12,NRTMLQLMGMLOEO-UHFFFAOYSA-N,4,1,0.471,24,486,428.836,4.274,5,0.386,0.63,0.989,0.6988811596189431,0.6761702419299568,0.6726406689054897,0.6783890754574737,0.6815202864779658
EOS-4-07559,CCc1nc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1-c1cncnc1,UMECGFWEQSJNSE-UHFFFAOYSA-N,4,1,0.404,46,332,445.433,4.063,5,0.389,0.6,0.921,0.6014923583030636,0.5853437050236447,0.6782091700363237,0.6578284558974711,0.6307184223151258
EOS-4-07560,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)nnc1Cl,AHNLSMZAGPZPQJ-UHFFFAOYSA-N,4,1,0.457,72,208,483.294,4.372,5,0.363,0.5,1.0,0.7852100609965047,0.8897608114591187,0.6564406140771709,0.714978411349462,0.761597474470564
EOS-4-07561,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4css4)nc3F)n12,WHTKFQOQSJFCCD-UHFFFAOYSA-N,4,1,0.53,58,271,442.476,4.271,5,0.289,0.67,1.0,0.7651805907751353,0.8364402714001782,0.4583047769172778,0.4770063737920636,0.6342330032211637
EOS-4-07562,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,JLCODVQKAFLCFF-UHFFFAOYSA-N,4,1,0.506,37,832,455.425,3.744,5,0.385,0.69,1.0,0.8177129737509423,0.8562812692755808,0.6672606401206223,0.6956342951134261,0.7592222945651429
EOS-4-07563,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)nn1,WFBCCCTZYRUSKW-UHFFFAOYSA-N,4,1,0.562,72,626,445.433,3.851,5,0.367,0.7,1.0,0.9027140017819204,0.8995699403742032,0.717608457268179,0.6752964155986567,0.7987972037557398
EOS-4-07564,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ncc(F)cn1,RHGSQVMECAISLX-UHFFFAOYSA-N,4,1,0.33,85,920,446.421,3.458,5,0.365,0.56,0.999,0.5783959289973272,0.5653827702008087,0.32577445000342675,0.31574258104310876,0.44632393256116787
EOS-4-07565,Fc1cc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cnc1-c1nncs1,MRZXNBZGGSZNEA-UHFFFAOYSA-N,4,1,0.36,85,243,455.429,3.789,5,0.412,0.7,0.896,0.1355373175245014,0.19014289630594203,0.5139383866767185,0.4586131862106778,0.3245579466794599
EOS-4-07566,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1cncs1,ONCCJYFMFDABCD-UHFFFAOYSA-N,4,1,0.74,91,955,447.495,4.684,5,0.361,0.76,1.0,0.8560927969296142,0.8400897813720787,0.7574189568912343,0.6694280720992393,0.7807574018230417
EOS-4-07567,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cc(F)ccc4-c4ccccc4)n23)cc1F,LTVAXAUMOUMKLR-UHFFFAOYSA-N,4,1,0.34,83,366,467.479,5.296,6,0.381,0.82,1.0,0.29946542389143993,0.3784610376259338,0.7574275238160509,0.8552532382975807,0.5726518059077513
EOS-4-07568,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)ncc1Cl,RVQBOYMAJHKHIX-UHFFFAOYSA-N,4,1,0.576,11,275,452.902,4.724,5,0.371,0.63,1.0,0.9230775820711398,0.9148019326982386,0.7335772051264479,0.7570420121993009,0.8321246830237817
EOS-4-07569,Fc1cccc(CCOc2cncc3nnc(-c4cnc(-c5cncnc5)cn4)n23)c1,KZZTYXWASPQGDW-UHFFFAOYSA-N,4,1,0.56,18,435,414.404,2.799,5,0.418,0.69,1.0,0.6959170036323761,0.6665324515112055,0.4439551778493592,0.45234219724487695,0.5646867075594545
EOS-4-07570,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4nc(C(F)F)cnc4F)n23)cc1,IMOYOFGCYOZLTJ-UHFFFAOYSA-N,4,1,0.462,27,51,452.4,3.638,5,0.388,0.63,1.0,0.5784044959221438,0.5747721197998766,0.69986635597286,0.5932852443286958,0.611582054005894
EOS-4-07571,Cc1ccc(-c2nnc3cncc(-c4ccc(C(C)NC(=O)c5ccc(F)c(F)c5)cc4F)n23)nc1,RPQYTJKTSMAVJZ-UHFFFAOYSA-N,4,1,0.34,62,504,488.473,5.07,5,0.373,0.68,1.0,0.3098742375436913,0.35435371119183057,0.9446062641354259,0.9053354807758207,0.6285424234116921
EOS-4-07572,Cc1cnnc(-c2cc(-c3nnc4cncc(-c5ccc(C#N)nc5)n34)ccc2Cl)n1,QURBPCHUSRICHL-UHFFFAOYSA-N,4,1,0.314,82,336,425.843,3.539,5,0.43,0.75,1.0,0.317567336029059,0.5191299431156192,0.5547512165033239,0.6114471249400315,0.5007239051470085
EOS-4-07573,COC1CN(C(=O)c2ccc(-c3cncc4nnc(-c5cc(O)cc(F)c5)n34)cc2)C1,ZCCZHDMGCSCIEN-UHFFFAOYSA-N,4,1,0.368,0,901,419.416,2.774,5,0.547,0.85,0.998,0.3947467617024193,0.3640000685353985,0.3148430539373586,0.417449112466589,0.3727597491604413
EOS-4-07574,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1F,LLVRJPFFIGDHJZ-UHFFFAOYSA-N,4,1,0.506,75,496,436.447,4.21,5,0.397,0.64,1.0,0.7591409087793846,0.6665410184360222,0.670002056061956,0.6753049825234734,0.692747241450209
EOS-4-07575,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)cc2Cl)n1,VGBKDLGHOYXGHL-UHFFFAOYSA-N,4,1,0.602,35,393,443.898,4.227,5,0.388,0.76,1.0,0.9282006031115071,0.9277122883969571,0.5444709067233225,0.5287848673840039,0.7322921664039477
EOS-4-07576,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CCc3ccc(Cl)nn3)n12,VZUOENCFTPHWSP-UHFFFAOYSA-N,4,1,0.35,72,487,438.879,3.678,5,0.413,0.68,1.0,0.28860256322390515,0.4344030566787746,0.3294410938249606,0.479987663628264,0.3831085943389761
EOS-4-07577,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)nc(Cl)n1,MNBRVUJHACUZLW-UHFFFAOYSA-N,4,1,0.479,47,164,455.816,2.92,5,0.306,0.62,1.0,0.8780583921595504,0.8711705846069495,0.47217462819546296,0.5120450962922349,0.6833621753135495
EOS-4-07578,CCOc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccccc1,SOPAFJNCABZGQT-UHFFFAOYSA-N,4,1,0.607,79,955,437.503,4.874,5,0.345,0.72,1.0,0.6440956754163526,0.4606949489411281,0.6564491810019876,0.5745579466794599,0.5839494380097321
EOS-4-07579,Cc1cc(-c2cnc(-c3nnc4cncc(OCc5ccccc5F)n34)cn2)ccn1,SUUBIQPDWFSZBI-UHFFFAOYSA-N,4,1,0.438,46,348,413.416,3.67,5,0.434,0.76,1.0,0.7049379754643273,0.6041652388458639,0.603000137070797,0.5682869577136591,0.6200975772736619
EOS-4-07581,Fc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,YEKIIVMJYKQYGG-UHFFFAOYSA-N,4,1,0.524,20,846,414.404,2.799,5,0.418,0.73,1.0,0.8519892399424303,0.8736978274278665,0.3334418477143445,0.3218165307381262,0.5952363614556919
EOS-4-07583,Fc1cnc(CCOc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)cc1F,VHTHJNKLRMQVJN-UHFFFAOYSA-N,4,1,0.529,75,496,436.447,4.21,5,0.397,0.7,1.0,0.7765917346309369,0.6617692413131382,0.7149869782742787,0.7066085258035776,0.7149891200054829
EOS-4-07584,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cc1F,BLRLSAGBUDTNKB-UHFFFAOYSA-N,4,1,0.333,0,188,442.376,3.961,5,0.374,0.87,0.998,0.3151086286066753,0.43869508601192514,0.7692327462134192,0.8063018298951409,0.5823345726817901
EOS-4-07585,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)c(Cl)n2)cn1,CXIRIPDJPFFLLM-UHFFFAOYSA-N,4,1,0.489,58,271,462.876,3.761,5,0.351,0.57,1.0,0.8496933040915633,0.8951494071688026,0.43665615790555823,0.4365190871084915,0.6545044890686039
EOS-4-07587,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(O)C(F)F)cc4)n23)cc1F,CIXNFDXTMSIXIM-UHFFFAOYSA-N,4,1,0.374,0,188,453.424,3.788,5,0.464,0.76,1.0,0.41197484750873825,0.5560191213761908,0.9143907203070386,0.9207131108217395,0.7007744500034268
EOS-4-07588,Fc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,GLSFYCKQAPSVMX-UHFFFAOYSA-N,4,1,0.512,35,143,414.404,2.799,5,0.391,0.69,1.0,0.735479062435748,0.7601775066822014,0.4142536495099719,0.3984733739976698,0.5770958981563978
EOS-4-07590,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cnc1C#N,SWWQCVIFHGLUIR-UHFFFAOYSA-N,4,1,0.51,35,904,452.453,3.584,5,0.384,0.7,1.0,0.8962973750942361,0.9167637584812556,0.6506493729011035,0.5713967514221096,0.7587768144746762
EOS-4-07591,CCc1cc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)cnc1F,QQSZHFLRBMILME-UHFFFAOYSA-N,4,1,0.326,90,129,412.375,3.193,4,0.521,0.78,0.979,0.2942824343773559,0.38317284627510106,0.7853385648687548,0.6929785484202591,0.5389430984853677
EOS-4-07592,OCc1cc(-c2nnc3cncc(OCCc4ncc(Cl)nn4)n23)ccc1Cl,RIUBEQWWIQOTPJ-UHFFFAOYSA-N,4,1,0.542,90,281,418.244,2.397,4,0.508,0.69,1.0,0.7563138235898842,0.8400983482968953,0.3294496607497773,0.47999623055308066,0.6014645157974093
EOS-4-07593,Cc1ncncc1-c1nc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccc1F,WNMKYOZJLKMZOS-UHFFFAOYSA-N,4,1,0.447,4,390,448.849,3.718,5,0.375,0.64,0.999,0.6779607292166404,0.8562898362003976,0.537754437667055,0.5354842025906381,0.6518723014186827
EOS-4-07594,Cc1nc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)ccc1Cl,UWDQMRJNFCQBQR-UHFFFAOYSA-N,4,1,0.433,90,473,419.247,3.957,4,0.488,0.67,1.0,0.7852186279213214,0.8103368514837914,0.6972705777534096,0.7768830100747036,0.7674272668083064
EOS-4-07595,Clc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,VAYRXXKYQWZQSF-UHFFFAOYSA-N,4,1,0.628,35,234,434.912,4.585,5,0.389,0.75,1.0,0.7737046809677198,0.8818706737029676,0.6325217599890344,0.6664896168871222,0.738646682886711
EOS-4-07596,Clc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,CGHBNUNLAQNANJ-UHFFFAOYSA-N,4,1,0.612,11,0,434.912,4.585,5,0.389,0.78,1.0,0.785227194846138,0.8682835309437325,0.5576554040161743,0.5961465972174628,0.7018281817558768
EOS-4-07597,Cn1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Cl)c5F)n34)ccc2F)c1,QIPZQNRWGPODQK-UHFFFAOYSA-N,4,1,0.547,37,265,467.867,4.14,5,0.373,0.66,1.0,0.9351997806867247,0.8897693783839353,0.8535998218079638,0.8536255225824139,0.8830486258652595
EOS-4-07598,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(F)cc4F)n23)cc1F,YAATWNZGTNUBHM-UHFFFAOYSA-N,4,1,0.402,0,188,409.371,3.768,5,0.557,0.87,1.0,0.38126242204098415,0.5327684874237544,0.7645894729627852,0.8667757521759989,0.6363490336508807
EOS-4-07599,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)cc1F,LXCIPZVJRQHVFN-UHFFFAOYSA-N,4,1,0.511,90,133,445.817,2.494,4,0.454,0.75,1.0,0.7205040778562127,0.580100747035844,0.4256647933657734,0.4015146323075869,0.5319460626413542
EOS-4-07600,FC(F)c1cccc(COc2cncc3nnc(-c4ccnc(-c5ccnnc5)c4)n23)n1,CKPHGINKLRKLNB-UHFFFAOYSA-N,4,1,0.506,27,43,432.394,3.555,5,0.401,0.65,1.0,0.5124991433075183,0.4966417654718662,0.7205469124802961,0.6114556918648482,0.5852858782811322
EOS-4-07601,Fc1nc(-c2cnsn2)ccc1-c1nnc2cncc(OCc3cccc(C(F)F)n3)n12,ATTDUGMOCSNJRK-UHFFFAOYSA-N,4,1,0.473,27,69,456.413,3.756,5,0.356,0.56,0.974,0.6099222123226646,0.6910595572613255,0.6120211089027483,0.5485487629360565,0.6153879103556987
EOS-4-07602,O=C(O)c1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1F,KJHVPLQDUYBQMM-UHFFFAOYSA-N,4,1,0.484,4,799,477.843,3.713,5,0.389,0.73,1.0,0.5811373449386609,0.31069666232609144,0.5377630045918717,0.4953138921252827,0.48122772599547664
EOS-4-07603,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4nc(F)ncc4-c4cccc(F)c4)n23)cc1F,LLXFGYQQFNZBDH-UHFFFAOYSA-N,4,1,0.302,96,648,487.445,4.225,6,0.373,0.82,0.999,0.19914673428825988,0.34493866081831265,0.5776163388390103,0.7123569323555616,0.4585146665752861
EOS-4-07604,Fc1cnccc1OCc1cncc2nnc(-c3ccc(-c4nncs4)c(F)c3)n12,NVXCBIJQALDERV-UHFFFAOYSA-N,4,1,0.412,14,487,423.408,3.562,5,0.427,0.69,1.0,0.5674131313823589,0.594878692344596,0.6644935234048386,0.6550099376327874,0.6204488211911452
EOS-4-07605,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4Cl)n23)c1F,VNHOWJKEOUDTLS-UHFFFAOYSA-N,4,1,0.468,37,832,454.828,3.525,5,0.418,0.61,1.0,0.765189157699952,0.8026437529984237,0.7255928311973134,0.7794873552189706,0.7682282742786649
EOS-4-07606,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(OCc3ccnc(Cl)c3)n12,RDHAQOSLFFDVFH-UHFFFAOYSA-N,4,1,0.524,16,325,423.795,3.608,5,0.395,0.76,1.0,0.847303132067713,0.7773113563155369,0.702367898019327,0.7149869782742787,0.7604923411692139
EOS-4-07607,CCONC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(Cl)c4)n23)cc1F,NTCXGDYZHQMXKK-UHFFFAOYSA-N,4,1,0.357,0,682,468.876,3.292,4,0.42,0.82,1.0,0.5230364608320197,0.4117264066890549,0.632530326913851,0.5085326571174011,0.5189564628880817
EOS-4-07608,Fc1cc(COc2cncc3nnc(-c4ccc(-c5ncsn5)cc4)n23)nnc1C(F)F,QUZQKZDKAMMCGA-UHFFFAOYSA-N,4,1,0.512,27,19,456.413,3.756,5,0.381,0.69,1.0,0.6686313480912891,0.6761788088547734,0.5966092111575629,0.5287934343088205,0.6175532006031115
EOS-4-07609,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)nc4Cl)n23)c1Cl,BKVIWDYRFWZKJC-UHFFFAOYSA-N,4,1,0.453,37,24,483.294,4.106,5,0.333,0.61,1.0,0.7936913165650058,0.8682920978685491,0.6389126859022686,0.7337228428483311,0.7586547357960387
EOS-4-07610,Cn1nncc1-c1ccc(-c2nnc3cncc(OCc4c(F)cnc(F)c4F)n23)cc1,IQVHYGXVOKDEHT-UHFFFAOYSA-N,4,1,0.518,16,79,438.373,2.978,5,0.389,0.57,1.0,0.6626173668699884,0.5853522719484614,0.7531954629566171,0.7095983825645946,0.6776908710849154
EOS-4-07611,COc1cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)ccc1-c1ccco1,IENVLINPVVTMJM-UHFFFAOYSA-N,4,1,0.489,97,383,417.4,4.173,5,0.41,0.7,1.0,0.9329638133095743,0.6860993077924749,0.7956702761976561,0.687101637996025,0.7754587588239326
EOS-4-07612,Cc1ncc(-c2cnnc(-c3nnc4cncc(OCc5c(F)cncc5F)n34)c2)cn1,ZDEARAPAVVIIJJ-UHFFFAOYSA-N,4,1,0.396,51,980,433.382,2.599,5,0.412,0.64,1.0,0.6412514563772188,0.5011394010006168,0.5069563429511342,0.45862175313549447,0.5269922383661161
EOS-4-07613,N#Cc1ccc(-c2nnc3cncc(CNc4nc(-c5cccnn5)ccc4F)n23)cc1,LVKWDZMEKPYVAT-UHFFFAOYSA-N,4,1,0.438,14,740,423.415,3.266,5,0.458,0.71,1.0,0.21016379960249468,0.19015146323075868,0.5240730587348366,0.505362894935234,0.357437804125831
EOS-4-07615,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)nc4C)n23)c(F)c1F,HWQXVDUWPLRKPR-UHFFFAOYSA-N,4,1,0.349,90,129,414.803,3.453,4,0.519,0.8,1.0,0.31511719553149203,0.4252707148242067,0.7670053457610856,0.7365413611130148,0.5609836543074498
EOS-4-07616,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)c5)cc4)n23)c(F)c1,HDKSPJHALKRYLT-UHFFFAOYSA-N,4,1,0.398,83,472,467.479,5.296,6,0.381,0.85,1.0,0.3468919196765129,0.4067918579946542,0.8143204715235419,0.8801144541155507,0.612029675827565
EOS-4-07617,Fc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cscn1,NASMCIJLFOSOMW-UHFFFAOYSA-N,4,1,0.54,11,699,436.447,4.21,5,0.397,0.71,1.0,0.8257059146048934,0.8364488383249948,0.6756733602905901,0.6929871153450757,0.7577038071413885
EOS-4-07618,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)cc1F,IOZVFTYBYACORL-UHFFFAOYSA-N,4,1,0.506,73,353,437.385,3.583,5,0.418,0.62,1.0,0.7907357275032554,0.7816119525735042,0.8081522856555411,0.7816033856486876,0.7905258378452471
EOS-4-07619,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)c(F)c1F,QCMITRYCGVFAQL-UHFFFAOYSA-N,4,1,0.523,90,133,429.362,1.98,4,0.499,0.61,1.0,0.5615704886573916,0.45185388253032693,0.4290144609690905,0.37000548283188267,0.4531110787471729
EOS-4-07620,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3nc(Cl)ncc3F)n12,HHVYRNDALLAOQZ-UHFFFAOYSA-N,4,1,0.468,47,164,455.816,2.92,5,0.388,0.64,1.0,0.8631433760537317,0.8651137687615653,0.432869577136591,0.49220409841683227,0.66333270509218
EOS-4-07621,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,KBYDBZSBWBTMPA-UHFFFAOYSA-N,4,1,0.838,48,378,423.423,3.441,4,0.493,0.79,1.0,0.6240148036460832,0.24432012884654924,0.7282571448152971,0.6145483517236653,0.5527851072578988
EOS-4-07622,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c(F)c1,FBULQBKMJOMQTQ-UHFFFAOYSA-N,4,1,0.654,48,406,423.423,3.441,4,0.493,0.85,1.0,0.5674216983071757,0.37846960455075046,0.6756819272154068,0.5990593516551299,0.5551581454321157
EOS-4-07623,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4Cl)n23)c1F,ZTWWZJGAZPFQBW-UHFFFAOYSA-N,4,1,0.529,35,143,471.88,4.258,5,0.342,0.57,1.0,0.7534953053252005,0.892690699746419,0.6756904941402234,0.6983414433554931,0.755054485641834
EOS-4-07624,COc1cc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)ccc1-c1cnsc1,XLADNUIWVKUWNR-UHFFFAOYSA-N,4,1,0.506,16,980,468.901,4.69,5,0.357,0.6,1.0,0.802249674456857,0.7561853197176341,0.8289613460352272,0.7862038242752382,0.7934000411212392
EOS-4-07625,Cc1ncc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(C(F)F)n5)cc4F)n23)s1,WRXHDAUBLKVLJU-UHFFFAOYSA-N,4,1,0.343,96,315,481.463,4.947,5,0.382,0.79,0.982,0.05844356109930779,0.22381091083544652,0.6972791446782263,0.5810088410664108,0.39013561441984784
EOS-4-07626,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(Cl)cc(-c5cncs5)c4)n23)cc1F,YSVHQHYBAOWARG-UHFFFAOYSA-N,4,1,0.337,96,648,464.913,4.734,5,0.415,0.88,1.0,0.2697124940031526,0.3107052292509081,0.7893050510588719,0.7886539647728051,0.5395941847714345
EOS-4-07627,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)nc2)nc1,PQSQZZCZBXJDQM-UHFFFAOYSA-N,4,1,0.426,18,367,448.849,3.452,5,0.364,0.66,1.0,0.7823315742581043,0.8103454184086081,0.4290230278939072,0.4647385374545953,0.6216096395038037
EOS-4-07628,Cc1cc(-c2nnc3cncc(COc4ccc(F)cc4F)n23)ccc1-c1cnn(C)c1,FWLWSWLPIUIPAQ-UHFFFAOYSA-N,4,1,0.423,14,189,432.434,4.357,5,0.413,0.69,1.0,0.5025101089712837,0.48237783565211434,0.8908145432115687,0.8429597011856624,0.6796655472551573
EOS-4-07629,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(OC)nc(C(F)F)n4)n23)cc1Cl,VYTVHNXMDDXCLZ-UHFFFAOYSA-N,4,1,0.333,68,306,446.805,2.603,4,0.496,0.79,0.999,0.5283479542183538,0.487183880474265,0.23134123774929752,0.16648104996230553,0.35333853060105547
EOS-4-07630,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cnc(Cl)cn3)n12,FEYDTFIXQNOJCF-UHFFFAOYSA-N,4,1,0.462,65,262,449.837,2.847,5,0.36,0.6,1.0,0.8305976286752107,0.8562984031252142,0.20659995887876087,0.25532006031115073,0.5372040127475841
EOS-4-07631,Clc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)c(Cl)c3)n12,KCMVLEVBGXYYQB-UHFFFAOYSA-N,4,1,0.565,37,161,454.277,4.165,5,0.377,0.64,1.0,0.8448872592694127,0.8297066684942773,0.6700106229867727,0.7416558152285656,0.7715650914947572
EOS-4-07632,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)cc4F)n23)cc1Cl,YWFDTIALTXNGJB-UHFFFAOYSA-N,4,1,0.553,34,607,453.84,4.097,5,0.398,0.7,1.0,0.7505225824138168,0.8181156192173258,0.8504900280995134,0.8716674662463162,0.8226989239942429
EOS-4-07633,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)cc1F,HULRIHIRNMQMOE-UHFFFAOYSA-N,4,1,0.533,90,385,444.829,3.099,4,0.459,0.8,1.0,0.7766003015557535,0.585360838873278,0.6756990610650401,0.6348433966143513,0.6681258995271057
EOS-4-07634,Cc1cc(F)cc(-c2ccc(-c3nnc4cncc(Cc5cccc(Cl)c5)n34)nn2)n1,QHCMSLOJJVVODQ-UHFFFAOYSA-N,4,1,0.366,19,691,431.862,4.335,5,0.421,0.69,0.262,0.29429100130217256,0.3543622781166472,0.6240319374957165,0.7309214584332808,0.5009016688369543
EOS-4-07635,O=C(NCC1CCOC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cn1,ZOXQMUIRNLZNFH-UHFFFAOYSA-N,4,1,0.39,0,688,452.877,3.412,5,0.498,0.78,0.998,0.22093242409704614,0.3055051058871907,0.2528956205880337,0.45235076416969366,0.30792097868549106
EOS-4-07636,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4Cl)n23)cc1F,GXDIQNOMPRKGLG-UHFFFAOYSA-N,4,1,0.473,37,832,454.828,3.525,5,0.418,0.65,1.0,0.7681533136865191,0.8067301761359742,0.7692413131382358,0.8042457679391406,0.7870926427249674
EOS-4-07637,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCc4ccc(F)cn4)n23)c1,ZNDMFVCTOIZOOT-UHFFFAOYSA-N,4,1,0.593,4,744,428.452,4.505,5,0.409,0.64,1.0,0.6593019669659379,0.6665495853608389,0.8683092317181824,0.8568895209375642,0.7627625762456309
EOS-4-07638,FCc1nc(CCCc2cncc3nnc(-c4ncccn4)n23)cc(C(F)F)n1,ITGIYAXCNPMLBP-UHFFFAOYSA-N,4,1,0.348,68,455,400.368,2.954,4,0.471,0.64,0.998,0.25909807415530123,0.24929751216503324,0.09696902199986293,0.12559111781235008,0.18273893153313686
EOS-4-07639,Cc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,LQESXGGPTZDCLR-UHFFFAOYSA-N,4,1,0.5,65,263,462.876,3.761,5,0.375,0.65,1.0,0.878066959084367,0.8737063943526832,0.40387053663217054,0.4365276540333082,0.6480428860256323
EOS-4-07641,Clc1cnccc1COc1cncc2nnc(-c3cncc(-c4nccnn4)c3)n12,AHIUYIMKDIMOEZ-UHFFFAOYSA-N,4,1,0.464,2,131,417.82,2.666,5,0.425,0.68,1.0,0.6099307792474813,0.6417826057158522,0.3783496676033171,0.4208844493180728,0.5127368754711809
EOS-4-07642,CCc1ccc(Cl)cc1NCc1cncc2nnc(-c3ccc(C(N)=O)c(F)c3)n12,IVHCALDAPKWACF-UHFFFAOYSA-N,4,1,0.412,23,678,424.867,3.857,4,0.489,0.83,1.0,0.3535484202590638,0.34965046946747996,0.6726492358303063,0.6145569186484819,0.49760126105133307
EOS-4-07643,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nc1Cl,XCFUWHFOLKEFPB-UHFFFAOYSA-N,4,1,0.471,97,19,439.863,4.076,5,0.381,0.66,1.0,0.8306061956000275,0.8181241861421424,0.5240816256596532,0.564860187786992,0.6844180487972038
EOS-4-07644,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)cc1F,DIEDVJPHYVGALY-UHFFFAOYSA-N,4,1,0.593,37,559,452.4,3.021,5,0.391,0.69,1.0,0.8631519429785485,0.8258429854019601,0.6533308203687205,0.6578370228222877,0.7500406928928792
EOS-4-07647,FC(F)c1cc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)ccn1,FBDQFIZCOMSFRN-UHFFFAOYSA-N,4,1,0.494,24,912,437.435,4.221,5,0.393,0.7,1.0,0.6717582756493728,0.5747806867246933,0.7459478445617161,0.634851963539168,0.6568346926187375
EOS-4-07648,O=C(c1ccc(-c2cncc3nnc(-c4nccnc4-c4cccc(F)c4)n23)cc1)N1CC(F)(F)C1,BWFWTNDLADJWJE-UHFFFAOYSA-N,4,1,0.324,62,376,487.445,4.146,6,0.379,0.82,1.0,0.23763792748954835,0.32558597765746006,0.4439637447741759,0.605116167500514,0.40307595435542454
EOS-4-07649,Cc1cc(-c2cc(-c3nnc4cncc(OCc5nc(Cl)ccc5F)n34)ccn2)ncn1,RFYJSKLYOBTOFJ-UHFFFAOYSA-N,4,1,0.447,24,486,448.849,3.718,5,0.375,0.68,1.0,0.6717668425741896,0.715158316770612,0.5409670344733054,0.5288020012336372,0.6141735487629361
EOS-4-07650,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncc(-c5cccnn5)cn4)n23)cc1,LCXXEWWSQCGYLZ-UHFFFAOYSA-N,4,1,0.306,10,356,449.413,2.696,6,0.395,0.69,0.999,0.20463813309574394,0.2643838667671852,0.17309471592077308,0.2760777191419368,0.22954860873140975
EOS-4-07651,COC(C)(c1ncc(Cc2cncc3nnc(-c4ccc(Cl)c(Cl)c4)n23)n1C)C1CC1,JTHDYBVUHTUPLH-UHFFFAOYSA-N,4,1,0.402,78,5,457.365,4.694,5,0.42,0.53,1.0,0.3605218970598314,0.4650383798231787,0.43287814406140773,0.6288037146186005,0.4718105338907546
EOS-4-07652,OCc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)cn2)nc1,CLNDTEZRNQANIR-UHFFFAOYSA-N,4,1,0.462,55,930,448.393,2.388,5,0.39,0.66,0.996,0.609939346172298,0.6470598314029196,0.5139469536015352,0.4586303200603111,0.557394112809266
EOS-4-07653,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)nc1F,LAHLIEMOKNHJPS-UHFFFAOYSA-N,4,1,0.488,24,786,441.398,3.701,5,0.384,0.66,1.0,0.6686399150161059,0.7816205194983209,0.6295747378521006,0.6114642587896648,0.6728248577890481
EOS-4-07654,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCC#N)cc4)n23)c(F)c1Cl,RDRYSMXBUMRQCP-UHFFFAOYSA-N,4,1,0.343,0,938,463.86,2.864,4,0.438,0.78,1.0,0.42576759646357343,0.4429785484202591,0.667269207045439,0.5776077719141937,0.5284057809608662
EOS-4-07655,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(OC5CC5)c(F)c4)n23)cc1F,NPTBZDGHNIZIBE-UHFFFAOYSA-N,4,1,0.327,0,682,435.434,4.027,5,0.495,0.82,1.0,0.48507641696936465,0.4695017476526626,0.6295833047769173,0.6494157357275032,0.5583943012816119
EOS-4-07656,N#Cc1nc(CNCc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)ccc1F,XYJQPWVMZQGPGO-UHFFFAOYSA-N,4,1,0.356,14,41,442.483,3.61,5,0.428,0.75,1.0,0.36053046398464805,0.32559454458227677,0.4790538688232472,0.44905249811527653,0.4035578438763622
EOS-4-07657,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1cncn1C,SDRIRRZCSAKOSR-UHFFFAOYSA-N,4,1,0.506,43,521,448.433,4.058,5,0.39,0.73,1.0,0.8331077376464944,0.627578644369817,0.8863426084572682,0.8063103968199575,0.7883348468233843
EOS-4-07658,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cc(F)ccc1C,IKGBVELTEZGNGE-UHFFFAOYSA-N,4,1,0.528,97,103,447.495,4.95,5,0.367,0.72,1.0,0.782340141182921,0.7689843053937359,0.7738246179151532,0.67531354944829,0.750115653485025
EOS-4-07659,Fc1ncccc1CCOc1cncc2nnc(-c3cc(Cl)nc(-c4cscn4)c3)n12,CYUSEFVJRNFOFI-UHFFFAOYSA-N,4,1,0.512,58,583,453.89,4.119,5,0.357,0.62,1.0,0.8354807758207115,0.8331505722705778,0.5275854979096704,0.5648687547118086,0.6902714001781921
EOS-4-07660,Clc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cncs1,KONFXTXPENWDHR-UHFFFAOYSA-N,4,1,0.649,35,234,434.912,4.585,5,0.389,0.75,1.0,0.8561013638544308,0.9042303474744706,0.6477623192378864,0.6783976423822905,0.7716229182372696
EOS-4-07661,FC(F)(F)c1nccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)n1,SXTCQYJOTUMRRF-UHFFFAOYSA-N,4,1,0.523,58,579,470.44,3.74,5,0.37,0.64,1.0,0.7475841272016996,0.840106915221712,0.527594064834487,0.35063566582139677,0.6164801932698238
EOS-4-07662,Fc1ccc(-c2ncncc2-c2nnc3cncc(-c4cnc(-c5cccnn5)cn4)n23)nc1,FWEOYSCYONJUJF-UHFFFAOYSA-N,4,1,0.271,86,892,449.413,2.696,6,0.395,0.63,0.975,0.2591066410801179,0.3158625179905421,0.2204869440065794,0.2819032280172709,0.2693398327736276
EOS-4-07663,Cc1cc(-c2nnc3cncc(OCc4ncc(-c5cncnc5)cn4)n23)ccc1Cl,OVUVNKSRHHJNBC-UHFFFAOYSA-N,4,1,0.512,51,969,430.859,3.579,5,0.416,0.75,1.0,0.7591494757042012,0.8624751559180317,0.5377715715166884,0.5288105681584538,0.6720516928243438
EOS-4-07664,Cc1ccc(-c2ccc(-c3nnc4cncc(COc5ccncc5F)n34)cn2)nc1,FMJHVPQMRHANQW-UHFFFAOYSA-N,4,1,0.402,85,767,413.416,3.67,5,0.434,0.74,1.0,0.6531851826468371,0.5801093139606607,0.5901240490713453,0.5120536632170516,0.5838680522239736
EOS-4-07665,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)C5)cc4)n23)cc1F,IAZGRAGFHRXSRC-UHFFFAOYSA-N,4,1,0.383,0,901,466.423,3.178,5,0.497,0.81,1.0,0.18800973202659174,0.18155883763964087,0.3556473168391474,0.492212665341649,0.30435713796175723
EOS-4-07666,Cc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1cccnc1,QLNCWIRDSKVHPO-UHFFFAOYSA-N,4,1,0.467,46,469,431.406,3.809,5,0.418,0.62,1.0,0.5870313892125283,0.5560276883010075,0.7023764649441436,0.6607240764855048,0.626539904735796
EOS-4-07667,Cn1nccc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)c(C#N)c1,HOXJKFLBYNBYLS-UHFFFAOYSA-N,4,1,0.483,43,332,459.872,4.435,5,0.386,0.69,1.0,0.6898430539373587,0.7859725173051881,0.9133455554794051,0.9073829758070043,0.8241360256322391
EOS-4-07668,Clc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5cccnn5)n4)n23)cc1,WWEMBELKDXHOTM-UHFFFAOYSA-N,4,1,0.548,34,32,450.289,4.529,5,0.389,0.79,0.998,0.7737132478925365,0.9338890411897746,0.6645020903296552,0.7721369337262696,0.7860603282845589
EOS-4-07669,Fc1cccc(F)c1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12,BVQDQSUYVLWJHU-UHFFFAOYSA-N,4,1,0.588,84,749,436.447,4.21,5,0.397,0.69,1.0,0.8306147625248441,0.8871907340141183,0.6592505654170379,0.6637310670961551,0.7601967822630389
EOS-4-07670,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,CJNCFYLKYKHVLW-UHFFFAOYSA-N,4,1,0.381,63,364,453.428,3.315,5,0.481,0.75,1.0,0.23498218079638133,0.3449472277431293,0.44751045164827635,0.39536358028921936,0.3557008601192516
EOS-4-07671,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1csnn1,KJWPZBHJHYIQKU-UHFFFAOYSA-N,4,1,0.517,43,521,452.446,4.176,5,0.382,0.72,1.0,0.6717754094990063,0.7197416215475293,0.8289699129600439,0.7721455006510863,0.7481581111644164
EOS-4-07672,NC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4ccc(F)cc4)n23)c(F)c1,VPYDHGFPXQNNQT-UHFFFAOYSA-N,4,1,0.398,96,837,429.39,3.292,5,0.469,0.79,1.0,0.2886111301487218,0.329997943938044,0.6450551709958193,0.6694366390240559,0.4832752210266603
EOS-4-07673,Cc1coc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)n1,ORKNEKHGYFZKOS-UHFFFAOYSA-N,4,1,0.558,35,161,434.406,4.049,5,0.398,0.74,1.0,0.8739634020971832,0.7335943389760812,0.7205554794051128,0.6607326434103215,0.7472114659721746
EOS-4-07675,Fc1cc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)ccc1-c1ncon1,ZAHTXBYINUQCPN-UHFFFAOYSA-N,4,1,0.524,73,526,441.785,3.747,5,0.406,0.7,1.0,0.8022582413816737,0.7816290864231376,0.764598039887602,0.7955846069494894,0.7860174936604756
EOS-4-07676,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc(-c5cnc(F)nc5)c[nH]4)n23)cc1Cl,XRVJXSKGUOZQTK-UHFFFAOYSA-N,4,1,0.333,74,413,449.837,2.791,5,0.404,0.75,0.98,0.32490062367212663,0.344955794667946,0.4290315948187239,0.4111524227263382,0.3775101089712836
EOS-4-07677,Cc1cc(C#N)c(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c(F)c2)nn1,GYBIECIQMCAXRK-UHFFFAOYSA-N,4,1,0.527,37,626,470.443,3.723,5,0.345,0.63,1.0,0.9431584538414091,0.9369217325748749,0.7436347748612158,0.7096069494894113,0.8333304776917279
EOS-4-07678,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccnnc4)nc3)n12,YZJNBTXKWFNUKX-UHFFFAOYSA-N,4,1,0.511,65,904,414.404,2.799,5,0.418,0.65,1.0,0.8100027414159413,0.829715235419094,0.5207405249811528,0.4831060242615311,0.6608911315194298
EOS-4-07679,Fc1cccnc1-c1ncncc1-c1nnc2cncc(OCc3cnc(Cl)s3)n12,OHKFCEGLRVKWFW-UHFFFAOYSA-N,4,1,0.451,55,283,440.851,3.471,5,0.409,0.63,1.0,0.6157648550476321,0.6089798505928312,0.2783136865190871,0.3669299568226989,0.4674970872455623
EOS-4-07680,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,WLTDJSKJUIOCNU-UHFFFAOYSA-N,4,1,0.54,11,490,452.902,4.724,5,0.371,0.61,1.0,0.8760023302035501,0.9042389143992873,0.6890120622301419,0.7309300253580975,0.8000458330477691
EOS-4-07682,CC(=O)NC(C)c1ccc(-c2cncc3nnc(-c4ncsc4-c4ccc(F)c(F)c4)n23)c(F)c1,CFZOHVNBHVQQMR-UHFFFAOYSA-N,4,1,0.34,96,648,494.502,5.196,5,0.363,0.62,0.998,0.24043074497978206,0.3055136728120074,0.8775101089712837,0.8249520252210266,0.562101637996025
EOS-4-07683,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)ccc2F)cs1,GYLWYNZYUPIWLT-UHFFFAOYSA-N,4,1,0.541,97,89,436.447,4.475,5,0.404,0.74,1.0,0.8306233294496608,0.7561938866424508,0.7692498800630526,0.7390257693098485,0.7737732163662532
EOS-4-07684,FC(F)c1cncc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)n1,ZXOYAPZCJGHQGC-UHFFFAOYSA-N,4,1,0.535,68,127,403.78,3.189,4,0.456,0.61,0.996,0.7415101775066822,0.9369302994996916,0.645063737920636,0.6378332533753683,0.7403343670755945
EOS-4-07685,Fc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,DWFMHPGSDDSBPP-UHFFFAOYSA-N,4,1,0.612,11,0,402.389,3.602,5,0.428,0.72,1.0,0.867418271537249,0.7336029059008978,0.6355801521485848,0.6082773627578645,0.711219673086149
EOS-4-07687,Cc1cc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)ccn2)ccn1,YCLYCHLVQYWKIV-UHFFFAOYSA-N,4,1,0.529,4,43,431.406,3.809,5,0.391,0.71,1.0,0.6323332876430676,0.5699318072784594,0.7308015214858474,0.6694452059488726,0.6506279555890617
EOS-4-07688,CCc1cnc(CF)c(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)ncn4)n23)n1,OOQCPVIATSZGOW-UHFFFAOYSA-N,4,1,0.243,50,206,432.398,2.666,5,0.413,0.63,0.14,0.2747412788705366,0.25418922623535056,0.040418751285038725,0.06538277020080872,0.15868300664793367
EOS-4-07689,Fc1nc(-c2cncc3nnc(-c4cnc(-c5ccc(Cl)nn5)nc4)n23)ccc1-c1cncnn1,ANIPVDYKTKWNIA-UHFFFAOYSA-N,4,1,0.284,99,719,484.846,2.745,6,0.34,0.61,0.797,0.30714138852717426,0.3690288534027825,0.22382804468507983,0.309702899047358,0.3024252964155987
EOS-4-07690,Cn1ccnc1-c1ccc(-c2nnc3cncc(COc4ccc(F)cc4F)n23)cc1,BOINWTFPUFZQGS-UHFFFAOYSA-N,4,1,0.451,14,189,418.407,4.049,5,0.431,0.7,1.0,0.6686484819409225,0.5282794188198204,0.8391474196422453,0.8020526351860736,0.7095319888972654
EOS-4-07692,CCNC(C)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(F)c1,DIQWKYXRQICXJH-UHFFFAOYSA-N,4,1,0.523,90,636,440.91,4.271,4,0.441,0.63,1.0,0.7794102528956206,0.6567747241450209,0.8081608525803577,0.7280344047700638,0.7430950585977658
EOS-4-07693,Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(-c5cnccn5)n4)n23)c(F)n1,VVUGSGXNBMRWMJ-UHFFFAOYSA-N,4,1,0.467,7,540,432.394,3.204,5,0.39,0.61,1.0,0.647231169899253,0.6861078747172915,0.4617058460694949,0.42089301624288944,0.5539844767322322
EOS-4-07694,Fc1nccc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)ccn2)n1,WJGYGNFDADXUDM-UHFFFAOYSA-N,4,1,0.483,24,486,435.81,2.805,5,0.384,0.65,1.0,0.5703430196696594,0.5853694057980947,0.36311767527928174,0.3797803440477006,0.4746526111986841
EOS-4-07695,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)nnc1Cl,LKYDCCARTCVWAG-UHFFFAOYSA-N,4,1,0.453,58,28,466.839,3.591,5,0.35,0.62,1.0,0.82571448152971,0.8951579740936193,0.46512404907134536,0.5423291755191556,0.6820814200534576
EOS-4-07697,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1Cl,ZERMXRQDOYFBNY-UHFFFAOYSA-N,4,1,0.576,11,275,452.902,4.724,5,0.371,0.61,1.0,0.9204475361524227,0.9086765814543212,0.7359416763758482,0.759723459666918,0.8311973134123776
EOS-4-07698,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ccccc1F,MCKPUJOPRKTKND-UHFFFAOYSA-N,4,1,0.517,11,955,442.454,4.018,5,0.376,0.76,1.0,0.8608303063532314,0.8103539853334247,0.6700191899115894,0.601946405318347,0.7357874717291482
EOS-4-07699,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(COc3ccnc(Cl)n3)n12,NVUULBLGYHQLJH-UHFFFAOYSA-N,4,1,0.365,47,164,423.799,2.738,5,0.428,0.7,1.0,0.6045079158385306,0.6520971831951203,0.4256733602905901,0.4334606949489411,0.5289347885682956
EOS-4-07700,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5cncc(Br)c5)n34)ccn2)nc1,BNVLEWIHZGOSJX-UHFFFAOYSA-N,4,1,0.537,75,263,493.3,3.561,5,0.354,0.57,1.0,0.8473116989925297,0.7429408539510657,0.4038791035569872,0.41116098965115483,0.6013231615379344
EOS-4-07701,OCc1ccc(-c2nnc3cncc(-c4ccc(Oc5cncc(F)c5)nn4)n23)nc1,AOTVDQAKNSRFLC-UHFFFAOYSA-N,4,1,0.297,50,155,416.376,2.462,5,0.46,0.67,1.0,0.5755431430333767,0.5374888629977383,0.45121136316907684,0.41435645260777193,0.494649955451991
EOS-4-07702,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)cnc1C#N,NIMAEMQRWYBYQP-UHFFFAOYSA-N,4,1,0.505,35,76,452.453,3.584,5,0.359,0.71,1.0,0.9105870056884381,0.9202933315057227,0.6030087039956137,0.5186587622507025,0.7381369508601192
EOS-4-07703,Cc1nc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccc1-c1cscn1,BZVBHXWNGGEUMQ-UHFFFAOYSA-N,4,1,0.461,44,445,436.447,4.475,5,0.404,0.69,0.964,0.7234596669179632,0.661777808237955,0.7383489822493318,0.7096155164142279,0.7083004934548696
EOS-4-07704,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncn[nH]4)cc3F)n12,MPXRAHSOPRYKDO-UHFFFAOYSA-N,4,1,0.528,37,161,420.383,2.871,5,0.45,0.73,1.0,0.8205229250908094,0.7382461791515318,0.6782177369611404,0.6637396340209718,0.7251816188061134
EOS-4-07705,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)nc3Cl)n12,LQEBMVYLTXBTQK-UHFFFAOYSA-N,4,1,0.654,19,73,437.822,3.65,5,0.371,0.64,1.0,0.7907442944280721,0.7859810842300048,0.510237475155918,0.5810174079912275,0.6669950654513057
EOS-4-07706,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccn5)n34)cc2C#N)cn1,GOSKYGQEMUEUTG-UHFFFAOYSA-N,4,1,0.528,4,677,438.426,3.542,5,0.409,0.68,1.0,0.6686570488657392,0.7731649647042698,0.704920841614694,0.6408231101363855,0.6968914913302721
EOS-4-07707,Cn1nnc(-c2ccc(Oc3cncc4nnc(-c5ccc(Cl)c(F)c5)n34)nc2)c1F,VPKQKFZKLAELQQ-UHFFFAOYSA-N,4,1,0.465,13,706,440.801,3.706,5,0.42,0.71,1.0,0.5025186758961003,0.7336114728257145,0.6533393872935371,0.6956428620382428,0.6462780995133987
EOS-4-07708,Cc1ccc(-c2nnc3cncc(OCc4cnnc(-c5cncc(F)c5)c4)n23)c(F)n1,GOTXYUUNTFZZTE-UHFFFAOYSA-N,4,1,0.457,55,875,432.394,3.204,5,0.39,0.53,0.999,0.8047512165033239,0.719750188472346,0.5901326159961621,0.5552395312178741,0.6674683880474265
EOS-4-07709,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)c(F)c2)n1,OKFBETRKHHNTIX-UHFFFAOYSA-N,4,1,0.662,91,660,432.434,4.092,5,0.404,0.78,1.0,0.8022668083064903,0.8258515523267768,0.8289784798848605,0.8042543348639573,0.8153377938455212
EOS-4-07710,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCCc3ccccc3)n12,AAURCXNFZMBTAO-UHFFFAOYSA-N,4,1,0.617,91,660,432.484,4.461,5,0.353,0.72,1.0,0.8354893427455281,0.9127116030429717,0.465132615996162,0.5120622301418682,0.6813489479816326
EOS-4-07711,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(-c5nc[nH]n5)c(F)c4)n23)cc1F,LEFIBFPUXZXPNE-UHFFFAOYSA-N,4,1,0.375,47,678,447.409,2.566,5,0.363,0.67,1.0,0.25911520800493454,0.26965252552943597,0.5102460420807347,0.43949181001987525,0.3696263964087451
EOS-4-07712,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)c(Cl)c3F)n12,OBEPCFHPJAGHHZ-UHFFFAOYSA-N,4,1,0.517,37,832,471.88,4.258,5,0.365,0.62,1.0,0.626884723459667,0.7516962511137002,0.7956788431224727,0.8290727160578438,0.750833133438421
EOS-4-07713,CNCCc1ccc(COc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c(F)c1,IWLDPONWMWACLE-UHFFFAOYSA-N,4,1,0.529,1,230,460.538,4.395,5,0.37,0.69,1.0,0.6560893701596875,0.3784781714755671,0.7335857720512645,0.6408316770612021,0.6022462476869304
EOS-4-07714,COc1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1-c1cnco1,UEZXBBXUNPIQOC-UHFFFAOYSA-N,4,1,0.5,97,103,418.388,3.568,5,0.413,0.76,1.0,0.9105955726132547,0.6910681241861422,0.7436433417860325,0.6051247344253307,0.7376079432526901
EOS-4-07715,Cc1cnnc(-c2ccc(-c3nnc4cncc(COc5ccnc(Cl)n5)n34)cc2F)n1,ZSQHKIUDKYDHBI-UHFFFAOYSA-N,4,1,0.39,85,351,449.837,3.113,5,0.373,0.61,1.0,0.6412600233020355,0.6761873757795902,0.3440648344870125,0.3473888013158796,0.5022252587211294
EOS-4-07716,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)c1,FQOZDFKGDVJHCV-UHFFFAOYSA-N,4,1,0.511,35,904,427.443,3.712,5,0.408,0.64,1.0,0.8519978068672469,0.8766534164896169,0.5711654444520595,0.5085412240422178,0.7020894729627853
EOS-4-07717,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)c(F)c4)n23)cc1F,IJNXUTCERMDMPE-UHFFFAOYSA-N,4,1,0.366,0,21,466.423,3.019,5,0.498,0.79,1.0,0.19631108217394283,0.20370433829072715,0.2856641080117881,0.4617486806935782,0.2868570522925091
EOS-4-07718,Cc1ccc(-c2nnc3cncc(Cc4cnc(C(C)(C)C5CCC(F)(F)CC5)nn4)n23)cn1,LNQYPHXKQWAUTL-UHFFFAOYSA-N,4,1,0.349,78,345,464.524,4.374,5,0.433,0.59,1.0,0.29145534918785554,0.334898224933178,0.07179082996367624,0.18033376739085738,0.2196195428688918
EOS-4-07719,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ncc[nH]1,QAMYKJJUZGQKJV-UHFFFAOYSA-N,4,1,0.5,15,777,431.431,3.346,5,0.394,0.65,1.0,0.8584744020286478,0.6417911726406689,0.5547597834281406,0.4271640052086903,0.6205473408265368
EOS-4-07720,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4c(F)ccnc4F)n23)cc1F,BOERSVCJUVVTME-UHFFFAOYSA-N,4,1,0.527,37,908,466.427,3.504,5,0.339,0.51,1.0,0.7936998834898225,0.7816376533479542,0.5608423000479748,0.5745665136042766,0.6776865876225069
EOS-4-07721,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(F)cn5)c4)n23)c(F)c1F,RALMJTPFQVQILC-UHFFFAOYSA-N,4,1,0.33,82,836,462.395,3.087,5,0.437,0.67,0.748,0.2747498457953533,0.35437084504146393,0.7436519087108492,0.6812589952710575,0.513507898704681
EOS-4-07722,N#Cc1nc(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)ccc1F,HZRGLZXTJGUDCG-UHFFFAOYSA-N,4,1,0.534,1,702,429.44,3.9,5,0.417,0.73,1.0,0.7109862243848948,0.6567832910698376,0.612029675827565,0.5616818586800082,0.6353702624905764
EOS-4-07723,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4F)n23)n1,PWOLDIPSNGUSOP-UHFFFAOYSA-N,4,1,0.511,37,832,422.355,2.531,5,0.38,0.72,1.0,0.815065793982592,0.7287882941539305,0.39292200671646904,0.37342368583373314,0.5775499451716812
EOS-4-07724,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)c(F)c4)n23)c1,JVUMAMSHBBFPPK-UHFFFAOYSA-N,4,1,0.563,11,490,436.447,4.21,5,0.397,0.68,1.0,0.8855116167500514,0.8533428140634638,0.7205640463299294,0.7280429716948804,0.7968653622095813
EOS-4-07725,N#CC1(NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cc2F)CC1,FQPFSOYKFKXXJJ-UHFFFAOYSA-N,4,1,0.367,0,682,459.416,2.621,5,0.47,0.74,1.0,0.365122335686382,0.2852443286957714,0.47545576040024673,0.5745750805290932,0.42509937632787337
EOS-4-07726,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(OCCc3cnc(Cl)nc3)n12,JGCOJHPQUYEGKB-UHFFFAOYSA-N,4,1,0.534,37,832,437.826,2.78,5,0.403,0.62,1.0,0.820531492015626,0.7983688575149065,0.4754643273250634,0.5085497909670345,0.6507286169556576
EOS-4-07727,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)ccc1F,CBGHEEPHOPFZBU-UHFFFAOYSA-N,4,1,0.541,1,702,429.44,3.9,5,0.417,0.75,1.0,0.833116304571311,0.8258601192515934,0.6325388938386677,0.57458364745391,0.7165247412788706
EOS-4-07728,Fc1ccc(-c2nnc3cncc(OCCc4nc(Cl)ncc4F)n23)cc1-c1c[nH]nn1,NKVQVTRTPVKUGQ-UHFFFAOYSA-N,4,1,0.468,37,125,455.816,2.92,5,0.388,0.57,0.999,0.8542166403947639,0.822082105407443,0.5031868960318004,0.5810259749160441,0.6901279041875128
EOS-4-07729,Fc1cncc(COc2cncc3nnc(-c4ccc(-c5nncs5)c(F)c4)n23)c1,IZBGTWUULQGSGY-UHFFFAOYSA-N,4,1,0.53,16,772,423.408,3.562,5,0.427,0.67,1.0,0.8520063737920636,0.7562024535672675,0.6782263038859571,0.6812675621958741,0.7419256733602906
EOS-4-07730,COc1cc(-c2nnc3cncc(OCc4c(F)cncc4Cl)n23)ccc1-c1cncs1,YREMKTMMQWTGQN-UHFFFAOYSA-N,4,1,0.506,16,980,468.901,4.69,5,0.357,0.77,1.0,0.8631605099033651,0.8297238023439106,0.8040744294428072,0.7519104242341169,0.8122172914810499
EOS-4-07731,Fc1cnccc1OCc1cncc2nnc(-c3nc(-c4cccnc4F)cs3)n12,OYAJPIYFYZIJAJ-UHFFFAOYSA-N,4,1,0.343,85,920,423.408,3.562,5,0.399,0.75,1.0,0.4465509560688095,0.3924251250771023,0.4688592282914125,0.4861815502707148,0.44850421492700976
EOS-4-07732,COc1c(-c2nnc3cncc(OCCc4cnccn4)n23)ccc(-c2cccc(F)n2)c1F,FJTCUQVUPWWLFW-UHFFFAOYSA-N,4,1,0.448,35,846,461.432,3.552,5,0.339,0.6,1.0,0.7681618806113357,0.6372421355630183,0.5869628538139949,0.49831231581111646,0.6226697964498664
EOS-4-07733,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)n1,YYQZEWHGJUOIFB-UHFFFAOYSA-N,4,1,0.53,11,922,452.902,4.724,5,0.347,0.64,1.0,0.9075029127544376,0.8973939414707697,0.6944691933383592,0.7494088821876499,0.8121937324378041
EOS-4-07734,Cn1ccc(-c2ccc(-c3nnc4cncc(CNc5cc(F)cc(C#N)c5)n34)cc2F)n1,UOZLDETXRXODGP-UHFFFAOYSA-N,4,1,0.373,14,291,442.433,3.954,5,0.443,0.72,1.0,0.2591237749297512,0.31587108491535876,0.8683177986429991,0.8370485230621616,0.5700902953875677
EOS-4-07735,FC(F)Oc1ccc(-c2nnc3cncc(-c4ncc(C(F)F)cn4)n23)cc1,XRLXBFLCXHHZJZ-UHFFFAOYSA-N,4,1,0.536,68,542,390.3,3.787,4,0.483,0.8,1.0,0.5408213967514222,0.6958227674593928,0.9649441436501953,0.9516825440339935,0.7883177129737509
EOS-4-07736,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c(F)c2)cs1,YRCHKEFKZKQEMX-UHFFFAOYSA-N,4,1,0.477,97,666,452.902,4.99,5,0.349,0.76,1.0,0.8306318963744774,0.8364574052498115,0.7716657528613529,0.7622250017133849,0.8002450140497567
EOS-4-07737,Cc1ccc(-c2nnc3cncc(OCc4ncc(-c5cnc(C#N)c(F)c5)cn4)n23)cn1,YBPHIQXYALOGFH-UHFFFAOYSA-N,4,1,0.449,51,969,439.414,2.937,5,0.406,0.73,1.0,0.8075440339935577,0.8401154821465286,0.5102546090055514,0.41745767939140566,0.6438429511342608
EOS-4-07738,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cc2)cs1,KXIOWLWXMXPIHI-UHFFFAOYSA-N,4,1,0.566,97,22,452.902,4.99,5,0.349,0.75,1.0,0.8473202659173463,0.7859896511548214,0.7670139126859022,0.7390343362346652,0.7848395414981838
EOS-4-07739,COC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)cc(Cl)c4)n23)nc1,HLWIZDZXLWYOJC-UHFFFAOYSA-N,4,1,0.524,90,683,427.823,3.387,4,0.435,0.73,1.0,0.6686656157905558,0.5057569734768008,0.6151137687615653,0.5552480981426907,0.5861961140429032
EOS-4-07740,CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C#N)cc4Cl)n23)cc1F,DFZLXKKBWBBFQM-UHFFFAOYSA-N,4,1,0.386,0,682,434.862,4.262,4,0.506,0.84,1.0,0.39475532862723595,0.43870365293674185,0.7831968336645878,0.7977606058529231,0.6036041052703722
EOS-4-07741,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)cc4Cl)n23)cc1,WJIZIXCICYQVSO-UHFFFAOYSA-N,4,1,0.43,48,678,424.867,3.946,4,0.489,0.83,1.0,0.35587862380919744,0.3831814131999178,0.6355887190734014,0.5776163388390103,0.48806627373038175
EOS-4-07742,Cc1cnc(F)c(COc2nccnc2-c2cncc3nnc(-c4ccc(CF)nc4)n23)c1,HMMPEMARJZLARD-UHFFFAOYSA-N,4,1,0.34,82,243,446.421,3.534,5,0.365,0.66,0.977,0.5255037351792201,0.5653913371256254,0.4218525118223562,0.35374545952984715,0.4666232609142622
EOS-4-07743,N#Cc1ccc(-c2cnncc2-c2nnc3cncc(OCc4ccc(F)cn4)n23)cn1,WCEDQDPGVHHUOZ-UHFFFAOYSA-N,4,1,0.518,4,875,425.387,2.628,5,0.417,0.67,1.0,0.6015009252278802,0.6910766911109588,0.6181293262970324,0.5870399561373449,0.6244367246933041
EOS-4-07744,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)c(F)c1F,KNXOMZIYRXAIDN-UHFFFAOYSA-N,4,1,0.32,96,648,432.39,3.751,5,0.465,0.83,1.0,0.3744345829620999,0.38318998012473443,0.7956874100472894,0.7309385922829141,0.5710626413542594
EOS-4-07745,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c(Cl)c1,RPRXNMURTFZMTE-UHFFFAOYSA-N,4,1,0.54,11,275,452.902,4.724,5,0.371,0.63,1.0,0.9027225687067371,0.9086851483791378,0.662163319854705,0.717582756493729,0.7977884483585773
EOS-4-07746,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4ccnnc4)c3)n12,LPFHEVRZWLSNBO-UHFFFAOYSA-N,4,1,0.53,75,496,414.404,2.799,5,0.391,0.7,1.0,0.7852357617709547,0.6861164416421082,0.47547289424988004,0.4395003769446919,0.5965813686519087
EOS-4-07747,Brc1ccc(CCOc2cncc3nnc(-c4cnc(-c5cccnc5)nc4)n23)cc1,XQDBCSUPWBLUCJ-UHFFFAOYSA-N,4,1,0.712,35,509,474.322,4.027,5,0.367,0.88,1.0,0.8561099307792475,0.8364659721746281,0.47548146117469675,0.4740764855047632,0.6605334624083339
EOS-4-07748,C#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc(F)c1F,UDHDDWHRKPHIHZ-UHFFFAOYSA-N,4,1,0.343,0,188,433.393,3.749,5,0.498,0.86,1.0,0.319914673428826,0.4297340826536906,0.8625351243917483,0.8980707285312864,0.6275636522513879
EOS-4-07749,Fc1ncc(-c2cc(COc3cncc4nnc(-c5cccs5)n34)c(Cl)cn2)nn1,RXYKNMWUDBJEBZ-UHFFFAOYSA-N,4,1,0.422,46,915,440.851,3.471,5,0.409,0.57,1.0,0.5383112877801385,0.43441162360359126,0.3818963744774176,0.4460540744294428,0.4501683400726475
EOS-4-07750,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCCc3ccccc3)n12,KRMSECGYYPKGEB-UHFFFAOYSA-N,4,1,0.614,11,56,432.484,4.461,5,0.279,0.71,1.0,0.7852443286957713,0.7731735316290864,0.37448598451099996,0.4111695565759715,0.5860183503529574
EOS-4-07751,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc6ccccc6s5)cc4)n23)ccn1,BWPDKFWZXWZXHY-UHFFFAOYSA-N,4,1,0.547,77,891,468.517,5.224,6,0.312,0.76,1.0,0.9256647933657735,0.9239685422520731,0.6389212528270852,0.6348605304639846,0.7808537797272291
EOS-4-07752,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)c(F)n1,JRJGWWADQASCCT-UHFFFAOYSA-N,4,1,0.633,59,294,437.385,3.583,5,0.391,0.66,1.0,0.8631690768281818,0.7859982180796381,0.7914553491878555,0.764855047632102,0.8013694229319444
EOS-4-07753,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncc(F)s5)cc4)n23)ccn1,NKOMTLUKHOGPOL-UHFFFAOYSA-N,4,1,0.593,11,201,436.447,4.21,5,0.371,0.6,1.0,0.937281543417175,0.8624837228428484,0.6919162497429923,0.6578455897471044,0.7873817764375299
EOS-4-07754,Fc1ccc(Cl)cc1COc1cncc2nnc(-c3ccc(-c4nc[nH]n4)nc3)n12,YNPMDFGCDBQILX-UHFFFAOYSA-N,4,1,0.483,47,109,422.811,3.343,5,0.462,0.61,1.0,0.7766088684805702,0.8220906723322596,0.6621718867795217,0.7011171269960935,0.7404971386471113
EOS-4-07755,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)cc1F,BGLZRCVRXIFMEF-UHFFFAOYSA-N,4,1,0.495,36,712,452.4,3.461,5,0.364,0.66,1.0,0.5870399561373449,0.6617863751627716,0.6030172709204304,0.6051333013501473,0.6142442258926736
EOS-4-07756,Cc1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cnccn1,PEROSPLWIIEARP-UHFFFAOYSA-N,4,1,0.506,46,348,413.416,3.67,5,0.434,0.75,1.0,0.7766174354053869,0.637250702487835,0.5512387773284901,0.5253066959084367,0.6226034027825371
EOS-4-07757,Cc1nccc(CCOc2cncc3nnc(-c4cnc(C(F)F)nc4)n23)c1F,YTWJTCGVFYLLKH-UHFFFAOYSA-N,4,1,0.529,68,811,401.352,2.983,4,0.491,0.7,1.0,0.7591580426290179,0.8142519361250086,0.5933966143513124,0.4680625042834624,0.6587172743472003
EOS-4-07758,O=c1nc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cnc5F)n34)cc2)[nH]o1,PFZIDYOVFOZXDN-UHFFFAOYSA-N,4,1,0.533,15,201,453.821,2.944,5,0.389,0.69,1.0,0.7264752244534302,0.6139315331368652,0.5102631759303681,0.5218627921321363,0.5931331814131999
EOS-4-07759,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(CF)ncn4)n23)c(Cl)c1F,SQYYJWRYMHZVCD-UHFFFAOYSA-N,4,1,0.324,68,26,415.791,2.87,4,0.55,0.66,0.983,0.307149955451991,0.37848673840038377,0.5869714207388116,0.5714053183469262,0.4610033582345281
EOS-4-07760,Fc1cnc(COc2cncc3nnc(-c4cc(-c5ccsc5)ccn4)n23)c(F)n1,VPNNZHUSDLZCIP-UHFFFAOYSA-N,4,1,0.411,18,160,423.408,3.562,5,0.427,0.71,0.999,0.5099976012610513,0.46504694674799535,0.46514118292097867,0.4861901171955315,0.48159396203138916
EOS-4-07761,CCc1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cccnc1,AYCZUHBBBUZDOF-UHFFFAOYSA-N,4,1,0.478,97,348,426.455,4.529,5,0.397,0.76,0.999,0.6593105338907546,0.6089884175176479,0.6210163799602495,0.6114728257144816,0.6251970392707834
EOS-4-07762,Cc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)c(F)n1,ZTUYIHQJSHKVRZ-UHFFFAOYSA-N,4,1,0.483,90,811,420.235,3.352,4,0.361,0.69,1.0,0.8231786717839764,0.8436022205469125,0.45831334384209443,0.5518555959152902,0.6692374580220684
EOS-4-07763,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]c5F)nc4)n23)c1F,ZULSVEGGIIJWFP-UHFFFAOYSA-N,4,1,0.48,87,304,438.373,3.01,5,0.434,0.64,0.997,0.7171715441025289,0.6567918579946542,0.6030258378452471,0.6145654855732986,0.6478886813789322
EOS-4-07764,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cnc(F)cn5)nc(Cl)n4)n23)cc1F,HFACIKVITYVQDC-UHFFFAOYSA-N,4,1,0.356,74,155,479.838,2.997,5,0.39,0.73,1.0,0.32741929956822696,0.34496436159276267,0.48942841477623195,0.4740850524295799,0.4089742820917004
EOS-4-07765,COc1cc(-c2nnc3cncc(OCc4cnc(F)s4)n23)ccc1-c1ccncc1,XCEDWORBKLBWJN-UHFFFAOYSA-N,4,1,0.5,97,103,434.456,4.037,5,0.399,0.7,1.0,0.8047597834281406,0.7105664450688781,0.615122335686382,0.49532245905009936,0.6564427558083751
EOS-4-07766,O=C(c1ccc(-c2cncc3nnc(-c4cnc(Cl)nc4)n23)cc1F)N1CCCC1,VGJXZMQOMOTSPS-UHFFFAOYSA-N,4,1,0.359,78,169,423.839,3.277,5,0.47,0.88,1.0,0.1656414913302721,0.28525289562058803,0.013595709684051813,0.1409687478582688,0.1513647111232952
EOS-4-07767,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)ccn1,SBJMBJAOKXVBGY-UHFFFAOYSA-N,4,1,0.371,24,920,423.408,3.562,5,0.399,0.66,1.0,0.465261119868412,0.6041738057706806,0.4928123500788157,0.4800047974778973,0.5105630182989515
EOS-4-07768,COc1cc(-c2nnc3cncc(OCc4ncc(F)cn4)n23)ccc1-c1ccc(F)nn1,GVMCLIBLYXFYHB-UHFFFAOYSA-N,4,1,0.444,16,196,448.393,2.904,5,0.387,0.61,1.0,0.8542252073195805,0.7151668836954287,0.4894369817010486,0.39848194092248646,0.6143277534096361
EOS-4-07773,N#Cc1ncc(F)c(COc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)n1,QAMAIQXJMVDHLF-UHFFFAOYSA-N,4,1,0.462,4,71,448.418,3.434,5,0.402,0.73,1.0,0.7651977246247686,0.8026523199232404,0.5207490919059694,0.5218713590569529,0.6526176238777328
EOS-4-07774,Fc1nc(-c2ncco2)ccc1-c1nnc2cncc(OCc3nccc(Cl)n3)n12,IGLQGNJGQRTSHQ-UHFFFAOYSA-N,4,1,0.427,24,28,424.783,3.003,5,0.31,0.55,1.0,0.6472397368240697,0.6665581522856555,0.259851963539168,0.2968867795216229,0.467634158042629
EOS-4-07775,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5F)n34)cn2)cn1,YMJMEFDQZQDCKM-UHFFFAOYSA-N,4,1,0.533,58,981,462.876,3.761,5,0.351,0.67,1.0,0.8520149407168802,0.9086937153039545,0.48944554862586526,0.46807107120827907,0.6795563189637447
EOS-4-07776,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)sc1Cl,LBMLTDKOJDXNKZ-UHFFFAOYSA-N,4,1,0.573,15,922,457.943,5.39,5,0.342,0.73,1.0,0.9420447536152423,0.9338976081145912,0.7359502433006648,0.7648636145569186,0.8441890548968543
EOS-4-07777,Clc1ccc(CCOc2cncc3nnc(-c4cncnc4OCc4ccccc4)n23)nc1,NFFSKCBLTRXYCQ-UHFFFAOYSA-N,4,1,0.484,11,275,459.897,3.83,5,0.345,0.71,1.0,0.6130234391062984,0.447570420121993,0.4181430333767391,0.4209015831677061,0.4749096189431842
EOS-4-07778,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cccnc5F)n4)n23)cc1,XONMTRVNPVNUDX-UHFFFAOYSA-N,4,1,0.411,96,139,429.39,3.292,5,0.439,0.81,1.0,0.207448084435611,0.21847371667466248,0.6533479542183538,0.6114813926392982,0.4226877869919814
EOS-4-07779,Fc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)cnn5)n34)ccn2)nc1,ZDXUFKNRVXSDSI-UHFFFAOYSA-N,4,1,0.488,24,199,418.367,2.896,5,0.429,0.67,1.0,0.6130320060311151,0.5609365362209581,0.5479148104996231,0.5585292303474745,0.5701031457747927
EOS-4-07780,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5nnco5)cc4Cl)n23)ccn1,SDVNWHLTAQWIHZ-UHFFFAOYSA-N,4,1,0.595,72,386,454.277,4.165,5,0.352,0.7,1.0,0.8354979096703448,0.8181327530669591,0.6564577479268042,0.7149955451990954,0.7562709889658008
EOS-4-07781,CCc1ccc(-c2ccc(-c3nnc4cncc(Cc5ccc(F)cn5)n34)nc2CC)cn1,NEYVSLBHFSTOMF-UHFFFAOYSA-N,4,1,0.313,85,81,439.498,4.498,5,0.388,0.58,0.785,0.32490919059694334,0.30057912411760673,0.35565588376396406,0.3218250976629429,0.32574232403536424
EOS-4-07782,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2)nn1,CSZKGFSEFCSOLA-UHFFFAOYSA-N,4,1,0.563,72,889,447.861,4.057,5,0.387,0.65,1.0,0.9546038653964772,0.9546809677198272,0.6564663148516209,0.6871102049208416,0.8132153382221917
EOS-4-07784,N#Cc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cncnc3F)n12,UTGFBWHXLIZOLH-UHFFFAOYSA-N,4,1,0.454,58,271,440.402,2.066,5,0.36,0.57,0.883,0.8674268384620657,0.8297323692687273,0.25986053046398466,0.25820711397436774,0.5538067130422863
EOS-4-07785,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(C(F)F)cn4)n23)cc1Cl,IQIVTSSPYWJDCX-UHFFFAOYSA-N,4,1,0.362,68,413,415.791,3.199,4,0.549,0.83,0.997,0.2484322527585498,0.3543794119662806,0.7176170241929957,0.6929956822698924,0.5033560927969296
EOS-4-07786,Fc1cc(F)c(CCOc2cncc3nnc(-c4ccc(-c5ncns5)cc4)n23)c(F)n1,BETKNSIJVLJKCV-UHFFFAOYSA-N,4,1,0.548,37,626,455.425,3.744,5,0.36,0.6,1.0,0.84970187101638,0.8563069700500309,0.670027756836406,0.657854156671921,0.7584726886436846
EOS-4-07787,CC#Cc1ccnc(OCc2cncc3nnc(-c4ccc(-c5ccccn5)nc4F)n23)c1,AGWYNGYYBRKRFV-UHFFFAOYSA-N,4,1,0.33,14,28,437.438,3.733,5,0.306,0.62,1.0,0.5049688163936673,0.5853779727229114,0.5901411829209787,0.49222123226646564,0.5431773010760057
EOS-4-07788,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(CF)n4)n23)ccc1-c1ccsc1,VKKKKACXGZFEEV-UHFFFAOYSA-N,4,1,0.5,4,83,465.485,5.111,5,0.333,0.58,1.0,0.7505311493386334,0.7517048180385169,0.7646066068124187,0.672349393461723,0.7347979919128229
EOS-4-07789,N#Cc1cc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,ICNYQSDCZWKHFR-UHFFFAOYSA-N,4,1,0.484,15,632,455.869,3.185,5,0.354,0.68,1.0,0.9352083476115414,0.9339061750394079,0.40758858200260434,0.407828455897471,0.6711328901377562
EOS-4-07791,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)cc1F,QMLMKWYWWOXCPF-UHFFFAOYSA-N,4,1,0.747,48,378,409.396,3.051,4,0.529,0.87,1.0,0.879874580220684,0.47836851483791376,0.7597748612158179,0.6843345212802412,0.7005881193886643
EOS-4-07792,Cc1ccnc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1,JQNUVVGVGWZFSU-UHFFFAOYSA-N,4,1,0.819,48,305,397.385,3.718,4,0.473,0.77,1.0,0.9878949352340484,0.9810413953807141,0.837425467754095,0.7570505791241177,0.8908530943732438
EOS-4-07793,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)c(F)c1,BHFCNQHHVOCXOB-UHFFFAOYSA-N,4,1,0.355,66,999,442.376,3.961,5,0.374,0.86,0.98,0.31757590295387567,0.4297426495785073,0.7785278596395038,0.8063189637447742,0.5830413439791652
EOS-4-07794,Fc1ccc(NCc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,COUVOWHDDWXRMA-UHFFFAOYSA-N,4,1,0.427,48,678,387.34,4.561,4,0.522,0.87,1.0,0.46272531012267837,0.509877664313618,0.9945000342676993,0.9888544308135152,0.7389893598793777
EOS-4-07795,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c(F)c1,MVKVBQTXKLHFBJ-UHFFFAOYSA-N,4,1,0.478,36,908,452.4,3.461,5,0.364,0.67,1.0,0.5755517099581934,0.6470683983277363,0.5999417449112466,0.6019549722431636,0.6061292063600849
EOS-4-07796,COc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnc2F)nc1,KNVRHNVHAPYPQK-UHFFFAOYSA-N,4,1,0.494,65,552,444.43,2.808,5,0.35,0.67,1.0,0.8306404632992941,0.7287968610787472,0.3367486806935782,0.25214173120416694,0.5370819340689466
EOS-4-07797,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nnco1,XGKLZKKHNZGUJS-UHFFFAOYSA-N,4,1,0.544,35,161,428.387,2.869,5,0.401,0.65,1.0,0.9163268453156055,0.8297409361935439,0.6295918717017339,0.5840843670755945,0.7399360050716195
EOS-4-07798,Cc1ccc(-c2nnc3cncc(CNCc4ccc(-c5cccc(F)c5)nn4)n23)cc1,AJNKYEZJQVMEDZ-UHFFFAOYSA-N,4,1,0.406,62,319,425.471,3.986,5,0.443,0.82,1.0,0.3396614351312453,0.3593482283599479,0.5512473442533068,0.5745922143787267,0.4562123055308067
EOS-4-07799,Fc1ccc(CCOc2cncc3nnc(-c4cc(-c5ccccn5)ncc4F)n23)nn1,GTSMVIHLXZLJDP-UHFFFAOYSA-N,4,1,0.452,58,132,432.394,2.938,5,0.403,0.6,0.998,0.7505397162634501,0.7010742923720101,0.3783582345281338,0.4043245836474539,0.5585742067027619
EOS-4-07800,Cc1nc(CCOc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)ncc1F,LAQOSLRVOVSPQY-UHFFFAOYSA-N,4,1,0.542,90,636,409.812,3.175,4,0.498,0.73,1.0,0.9382838736207251,0.9629052155438284,0.577624905763827,0.6288122815434172,0.7769065691179493
EOS-4-07801,Fc1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1csnn1,QIAGHOIPHINZGB-UHFFFAOYSA-N,4,1,0.495,37,490,455.425,3.744,5,0.385,0.71,1.0,0.6898516208621753,0.7382547460763484,0.7149955451990954,0.7519189911589336,0.7237552258241381
EOS-4-07802,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(CF)n5)n34)ccn2)cn1,YUCHCZAZFNJMHY-UHFFFAOYSA-N,4,1,0.517,7,99,446.421,3.534,5,0.39,0.6,1.0,0.5487115345075732,0.5609451031457748,0.42568192721540676,0.3569666232609143,0.47307629703241727
EOS-4-07803,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,NOAACWOCYUDDDR-UHFFFAOYSA-N,4,1,0.778,91,781,432.434,4.092,5,0.404,0.78,1.0,0.8927763689945857,0.7816462202727709,0.8709992461106162,0.8311030772393941,0.8441312281543417
EOS-4-07804,COc1cc(-c2nnc3cncc(OCc4c(F)cccc4OC)n23)ccc1-c1nccs1,XVXPHKFALWRNML-UHFFFAOYSA-N,4,1,0.495,1,383,463.494,4.65,5,0.347,0.74,1.0,0.8126242204098417,0.7010828592968268,0.715004112123912,0.5288191350832705,0.6893825817284627
EOS-4-07805,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5cnccn5)nn4)n23)n1,SXNSJRXCBMAFRS-UHFFFAOYSA-N,4,1,0.376,7,828,420.343,1.685,5,0.387,0.61,0.871,0.5811459118634775,0.5098862312384347,0.17310328284558973,0.1855938592282914,0.3624323212939484
EOS-4-07806,COc1cc(-c2nnc3cncc(COCc4ccc(Cl)nn4)n23)ccc1-c1ccnc(F)c1,UZAIYPIGASBGPT-UHFFFAOYSA-N,4,1,0.424,14,224,477.887,4.161,5,0.322,0.61,1.0,0.7475926941265163,0.6139401000616819,0.712579672400795,0.6694537728736892,0.6858915598656706
EOS-4-07807,Fc1cnnc(COc2cncc3nnc(-c4ccnc(-c5cc(F)ccn5)c4)n23)c1,JKOGPBWGXMJECD-UHFFFAOYSA-N,4,1,0.512,24,912,418.367,2.896,5,0.429,0.65,1.0,0.5560448221506408,0.5191385100404359,0.5547683503529574,0.5714138852717429,0.5503413919539442
EOS-4-07808,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5ccncc5)n4)n23)cc1Cl,YVGBIZDFLVBXQB-UHFFFAOYSA-N,4,1,0.343,96,802,459.872,4.067,5,0.435,0.84,1.0,0.3175844698786923,0.31587965184017547,0.6810790898499075,0.6871187718456583,0.5004154958536084
EOS-4-07809,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)cn5)cn4)n23)cc1F,NBQJDWMUEXIOKH-UHFFFAOYSA-N,4,1,0.361,96,802,429.39,3.292,5,0.469,0.81,1.0,0.27752552943595366,0.26439243369200194,0.7099410595572613,0.6956514289630594,0.4868776129120691
EOS-4-07810,CCc1nc(-c2nnc3cncc(OCc4cc(F)cc(C)c4F)n23)ccc1-c1cccnc1,AKNWMDDVJZKZMR-UHFFFAOYSA-N,4,1,0.406,59,717,458.472,4.976,5,0.357,0.72,0.953,0.5959581248714961,0.5801178808854773,0.7808923308889041,0.7280515386196971,0.6712549688163937
EOS-4-07811,N#Cc1cc(-c2nnc3cncc(-c4ccc(CC(F)F)nn4)n23)cnc1Cl,MNUYPXRGRJETOF-UHFFFAOYSA-N,4,1,0.354,68,542,398.764,2.976,4,0.486,0.78,0.996,0.3627835652114317,0.565399904050442,0.7914639161126722,0.8311116441642108,0.6376897573846891
EOS-4-07812,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(F)nc4)n23)nc1)N1CCc2cc(F)ccc21,IYIUXKCDUCGFFP-UHFFFAOYSA-N,4,1,0.515,14,81,469.455,3.653,6,0.374,0.73,1.0,0.24570797066684943,0.21341923103282845,0.3744945514358166,0.45863888698512784,0.3230651600301556
EOS-4-07813,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncco1,PMZRSEHPQSLFTQ-UHFFFAOYSA-N,4,1,0.625,35,201,402.389,3.602,5,0.428,0.66,1.0,0.9319700500308409,0.747344253306833,0.5999503118360633,0.5585377972722911,0.7094506031115071
EOS-4-07814,OCc1ccc(-c2ccc(-c3nnc4cncc(OCc5ccnc(F)c5)n34)cn2)cn1,ZNQGJSLJWJBUJO-UHFFFAOYSA-N,4,1,0.442,55,879,429.415,2.854,5,0.41,0.68,1.0,0.7017682132821602,0.6665667192104722,0.6621804537043383,0.5682955246384758,0.6497027277088616
EOS-4-07815,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,FIMHWZVAVBYLFC-UHFFFAOYSA-N,4,1,0.612,11,0,418.457,4.07,5,0.414,0.71,1.0,0.842685559591529,0.8563155369748475,0.5576639709409911,0.5423377424439723,0.699750702487835
EOS-4-07817,CCc1nc(-c2nnc3cncc(OCCc4cccc(F)c4Cl)n23)ccc1-c1ncccc1F,FCIFXWTUUQMGOR-UHFFFAOYSA-N,4,1,0.484,19,692,492.917,5.364,5,0.304,0.63,0.986,0.8331248714961278,0.862492289767665,0.7574360907408677,0.7955931738743061,0.8121616064697417
EOS-4-07818,Cc1nc(-c2nnc3cncc(OCc4ccc(F)nc4F)n23)ccc1-c1ccsc1,QSGXUMSORKOXIX-UHFFFAOYSA-N,4,1,0.413,46,959,436.447,4.475,5,0.378,0.6,1.0,0.6779692961414571,0.569940374203276,0.7023850318689603,0.655018504557604,0.6513283016928244
EOS-4-07819,OCc1cnc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)cn1,DYMSQJVNSMUPGR-UHFFFAOYSA-N,4,1,0.417,7,435,431.391,1.644,5,0.422,0.68,0.999,0.517510794325269,0.47837708176273047,0.24913474059351656,0.2199215269686793,0.36623603591254883
EOS-4-07820,O=C(c1ccc(-c2cncc3nnc(-c4cc(C(F)(F)F)ncc4F)n23)cc1F)N1CCCCCC1,IMBAJRXLOSVXOQ-UHFFFAOYSA-N,4,1,0.371,0,345,502.447,5.167,5,0.362,0.84,0.993,0.36053903090946476,0.465055513672812,0.29288602563223903,0.5648773216366253,0.42083947296278523
EOS-4-07821,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(C#Cc5cncc(F)c5)nc4)n23)cc1F,DFDQDLAIIKHZNB-UHFFFAOYSA-N,4,1,0.356,82,736,454.4,2.42,5,0.415,0.67,1.0,0.27475841272017,0.2541977931601672,0.7176255911178123,0.6494243026523199,0.4740015249126174
EOS-4-07822,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(-c5cncnc5)n4)n23)cn1,FWSQHPXPQWOWQB-UHFFFAOYSA-N,4,1,0.511,87,307,465.304,3.967,5,0.347,0.59,1.0,0.7476012610513331,0.9087022822287711,0.5240901925844699,0.6145740524981153,0.6987419470906724
EOS-4-07823,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cncc(-c4ncon4)c3)n12,IGGZQBFCNWMROK-UHFFFAOYSA-N,4,1,0.5,2,131,423.795,3.608,5,0.422,0.73,1.0,0.6809505859776575,0.6187718456582825,0.6863820163114248,0.7309471592077308,0.6792629017887739
EOS-4-07824,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5F)n34)nn2)n1,CVIBJLVIVGMITD-UHFFFAOYSA-N,4,1,0.422,54,411,432.394,3.204,5,0.417,0.71,1.0,0.732566307998081,0.6372592694126517,0.4862415187444315,0.4922297991912823,0.5870742238366116
EOS-4-07825,FCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)c2)cn1,JMYNNCUTWLKPNP-UHFFFAOYSA-N,4,1,0.562,35,545,447.449,3.78,5,0.36,0.72,1.0,0.5841786032485778,0.585386539647728,0.57458364745391,0.5552566650675074,0.5748513638544308
EOS-4-07826,COc1cc(-c2nnc3cncc(OCCCc4cccc(F)n4)n23)ccc1-c1ccccn1,XZAYOHWLKMSUGL-UHFFFAOYSA-N,4,1,0.446,11,777,456.481,4.408,5,0.252,0.76,1.0,0.8817336029059009,0.8103625522582414,0.5031954629566171,0.4334692618737578,0.6571902199986293
EOS-4-07827,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(OC)c(-c5ccccc5F)c4)n23)cc1F,JSKKXUFASCNHJF-UHFFFAOYSA-N,4,1,0.346,62,648,472.455,4.167,5,0.413,0.86,1.0,0.47778596395038037,0.4562829826605442,0.7853471317935714,0.693004249194709,0.6031050818998013
EOS-4-07828,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cn1,FGBZKMGBJUGWOI-UHFFFAOYSA-N,4,1,0.588,11,201,418.457,4.07,5,0.387,0.71,1.0,0.9319786169556576,0.9067061887464876,0.6296004386265506,0.5932938112535124,0.765394763895552
EOS-4-07829,O=c1cc(CO)occ1Oc1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1,ITYDAXXIMKICOA-UHFFFAOYSA-N,4,1,0.5,35,161,491.891,3.699,5,0.346,0.64,1.0,0.8448958261942293,0.7105750119936948,0.7150126790487287,0.6522256870673703,0.7306773010760057
EOS-4-07831,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1cccnn1,JUWCVJOHCLSWAN-UHFFFAOYSA-N,4,1,0.51,35,925,477.887,4.066,5,0.346,0.61,1.0,0.9319871838804743,0.8563241038996642,0.7359588102254815,0.6812761291206908,0.8013865567815777
EOS-4-07832,Cc1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1-c1cocn1,FEGFMXXCICLANW-UHFFFAOYSA-N,4,1,0.473,4,526,421.367,3.402,5,0.398,0.65,1.0,0.7823487081077376,0.652105750119937,0.5711740113768762,0.495331025974916,0.6252398738948667
EOS-4-07833,Cc1cccc(-c2cnc(-c3cncc4nnc(-c5ccc(C#N)c(F)c5)n34)nc2)n1,OFSCKTDSHBLBSR-UHFFFAOYSA-N,4,1,0.361,82,261,408.4,3.63,5,0.449,0.71,1.0,0.3222534439037763,0.46506408059762866,0.6810876567747242,0.6664981838119388,0.5337258412720169
EOS-4-07834,Fc1ccc(CCCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)nc1Cl,IDNQWVUAJQKNRI-UHFFFAOYSA-N,4,1,0.5,11,922,466.929,5.114,5,0.245,0.65,1.0,0.9135340278253719,0.9239771091768899,0.6091597560139812,0.6637482009457885,0.7776047734905078
EOS-4-07835,FCCCn1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)cn1,JGXNGQXYBMNBKK-UHFFFAOYSA-N,4,1,0.463,36,208,482.882,4.176,5,0.327,0.65,1.0,0.5383198547049551,0.5901925844698787,0.4721831951202796,0.542346309368789,0.5357604859159756
EOS-4-07836,O=C(c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)cc1)N1CCCC1,YGXKHLBWCJZYNL-UHFFFAOYSA-N,4,1,0.775,0,21,447.926,4.302,5,0.44,0.92,1.0,0.41647248303748885,0.33490679185799466,0.03628092659858817,0.19936090740867657,0.24675527722568708
EOS-4-07837,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccc(F)c5F)cn4)n23)cc1,FIWQFHGUHQBBCA-UHFFFAOYSA-N,4,1,0.44,96,837,429.39,3.292,5,0.469,0.82,1.0,0.21551812761291206,0.2336029059008978,0.7436604756356658,0.715004112123912,0.47694640531834687
EOS-4-07838,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnc(F)c5)cn4)n23)c(F)c1Cl,CTSLNDOPMXPEFR-UHFFFAOYSA-N,4,1,0.308,82,736,478.85,3.602,5,0.393,0.65,0.994,0.25123363717360014,0.4068004249194709,0.6890206291549585,0.6898087862380919,0.5092158693715303
EOS-4-07839,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4ncc(-c5cncnc5)nn4)n23)cc1,ACMITCPRAOECOJ-UHFFFAOYSA-N,4,1,0.313,94,356,450.401,2.091,6,0.389,0.69,0.999,0.16821156877527244,0.2798814337605373,0.11567061887464876,0.21450723048454526,0.19456771297375094
EOS-4-07840,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncn[nH]5)c(F)c4)n23)ccn1,KXYMSJPXRUBBMW-UHFFFAOYSA-N,4,1,0.58,37,626,420.383,2.871,5,0.421,0.61,1.0,0.9243968884929066,0.8297495031183606,0.6782348708107737,0.6550270714824207,0.7718520834761153
EOS-4-07841,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCCF)cc4)n23)c(F)c1F,UDSGYBGHXVXWRK-UHFFFAOYSA-N,4,1,0.34,0,938,454.412,2.795,4,0.467,0.81,1.0,0.39891885408813654,0.39723973682406966,0.5999588787608799,0.4680796381330957,0.4660492769515454
EOS-4-07842,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCc3ncncc3F)n12,KLVVEOWZDGSEBB-UHFFFAOYSA-N,4,1,0.471,73,526,423.408,3.562,5,0.427,0.64,1.0,0.7109947913097114,0.7429494208758823,0.6355972859982181,0.6408402439860188,0.6825954355424577
EOS-4-07843,N#Cc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cscn1,ADPQHPQCPHUNJY-UHFFFAOYSA-N,4,1,0.533,35,619,443.467,3.942,5,0.392,0.64,1.0,0.9440579809471592,0.9107069426358714,0.7282657117401138,0.7037043382907272,0.8216837434034678
EOS-4-07844,Fc1nc(-c2cc(-c3nnc4cncc(OCCc5ccnc(F)c5Cl)n34)ccn2)cs1,TXIKUVXBDOSVRO-UHFFFAOYSA-N,4,1,0.558,75,698,471.88,4.258,5,0.342,0.7,1.0,0.8205400589404427,0.7983774244397231,0.6810962236995408,0.6983500102803097,0.749590929340004
EOS-4-07845,O=C(NC1CCc2ccc(F)c(F)c21)c1ccc(-c2nnc3cncc(C4CCCC4)n23)cc1,MVIAHDNUPDNILS-UHFFFAOYSA-N,4,1,0.481,0,21,459.5,5.144,6,0.459,0.71,1.0,0.38127098896580086,0.3449729285175793,0.4003409636077034,0.5961551641422795,0.43068501130834075
EOS-4-07846,Fc1cc(-c2nnc3cncc(COc4ccnc(Cl)n4)n23)ccc1-c1nc[nH]n1,KIVWXNCOZJRSSM-UHFFFAOYSA-N,4,1,0.379,47,164,423.799,2.738,5,0.428,0.71,1.0,0.5841871701733946,0.6521143170447536,0.42904016174354054,0.4365362209581249,0.5254694674799534
EOS-4-07847,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cccnc5F)n34)ccn2)cn1,LFMOKTFWUWGAGG-UHFFFAOYSA-N,4,1,0.472,75,99,414.404,3.065,5,0.404,0.66,1.0,0.7296364197107806,0.5853951065725447,0.4366647248303749,0.360222054691248,0.5279795764512369
EOS-4-07848,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)cc1F,HRJMMQYHKALHAB-UHFFFAOYSA-N,4,1,0.576,11,275,436.447,4.21,5,0.397,0.63,1.0,0.9043502844219039,0.865122335686382,0.7335943389760812,0.7175913234185457,0.8051645706257282
EOS-4-07850,Fc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5ncccn5)c4)n23)s1,ZZQMMZQUGKCLBE-UHFFFAOYSA-N,4,1,0.549,73,82,423.408,3.562,5,0.427,0.61,1.0,0.7296449866355973,0.7473528202316496,0.46171441299431154,0.4770149407168803,0.6039317901446097
EOS-4-07851,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)nc1,SYBIRIUZNOJHKL-UHFFFAOYSA-N,4,1,0.582,90,636,401.817,3.205,4,0.504,0.77,1.0,0.9449746419025427,0.9703498732095127,0.8521520115139469,0.856898087862381,0.9060936536220958
EOS-4-07852,COc1cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)ccc1-c1cscn1,IQHLFQBLCBZZDG-UHFFFAOYSA-N,4,1,0.5,97,383,434.456,4.037,5,0.373,0.79,1.0,0.8909773147830855,0.7151754506202453,0.6835891988211912,0.5485573298608731,0.7095748235213487
EOS-4-07853,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cccnn5)cc4F)n23)ccc1F,JMFJZANSFWAZMK-UHFFFAOYSA-N,4,1,0.5,4,820,431.406,3.809,5,0.418,0.78,1.0,0.7382547460763484,0.7382633130011651,0.7205726132547461,0.6812846960455075,0.7195938420944417
EOS-4-07854,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)cc1,CXIVEZZFNUNYKB-UHFFFAOYSA-N,4,1,0.584,89,230,413.372,3.431,5,0.43,0.8,1.0,0.9268641628401069,0.8364745390994449,0.8081694195051744,0.7768915769995203,0.8370999246110616
EOS-4-07855,Cc1cc(-c2nnc3cncc(OCc4nc(F)c(F)cc4Cl)n23)cnc1C,ZVYWXXGRZJHTLD-UHFFFAOYSA-N,4,1,0.482,90,555,402.792,3.709,4,0.484,0.72,1.0,0.6686741827153725,0.7860067850044548,0.7359673771502981,0.7066170927283942,0.7243163593996299
EOS-4-07856,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccc(F)nn1,DMENLGHTGNKRAI-UHFFFAOYSA-N,4,1,0.533,72,925,477.887,4.066,5,0.323,0.73,1.0,0.9362706462888082,0.889777945308752,0.6919248166678089,0.6259766294291002,0.7859875094236173
EOS-4-07857,CCn1cncc1-c1ccc(-c2nnc3cncc(OCc4ccccc4F)n23)cc1,YRXRNSMXYFIMNQ-UHFFFAOYSA-N,4,1,0.529,43,521,414.444,4.393,5,0.412,0.82,1.0,0.8542337742443973,0.6714412994311562,0.762199300938935,0.7123654992803783,0.7500599684737166
EOS-4-07858,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cncc(F)c5)n34)cc2F)cs1,WORUWJCRDCKUOG-UHFFFAOYSA-N,4,1,0.548,97,214,436.447,4.475,5,0.404,0.76,1.0,0.8126327873346584,0.715184017545062,0.7692584469878693,0.7309557261325474,0.7570077445000343
EOS-4-07859,COc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,VRCXBLPBGHBMTJ-UHFFFAOYSA-N,4,1,0.552,35,103,447.495,4.684,5,0.337,0.75,1.0,0.7766260023302035,0.6958313343842094,0.709949626482078,0.6230810088410664,0.7013719930093893
EOS-4-07860,N#Cc1ccc(COc2cnc(-c3cncc4nnc(-c5ccc(F)cn5)n34)nn2)cc1,JVSDHBBEPGGBCB-UHFFFAOYSA-N,4,1,0.333,46,348,425.387,2.628,5,0.417,0.72,0.956,0.6656928928791721,0.5995133986704133,0.4688677952162292,0.5019275580837502,0.5590004112123912
EOS-4-07861,Fc1cc(-c2ncc(-c3nnc4cncc(-c5cncc(Cl)n5)n34)cn2)ccn1,NETWNHYXBXGHOL-UHFFFAOYSA-N,4,1,0.38,50,489,405.784,2.893,5,0.421,0.72,1.0,0.2775340963607703,0.3349153587828113,0.40034953053252004,0.4983208827359331,0.3777799671030087
EOS-4-07862,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1ccsc1,AJQQAJVRXOPUOG-UHFFFAOYSA-N,4,1,0.545,35,103,481.94,5.337,5,0.292,0.55,1.0,0.9010520183674868,0.8711791515317662,0.8536083887327804,0.8130439997258584,0.859720889589473
EOS-4-07863,Fc1cnc(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)nc1Cl,AGSOTZBMNRCEFD-UHFFFAOYSA-N,4,1,0.456,97,379,439.863,4.076,5,0.381,0.66,1.0,0.6500496881639367,0.6810876567747242,0.5032040298814338,0.5585463641971078,0.5982219347543005
EOS-4-07864,Cc1nccc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1Cl,ZDJAETKAJLEZRT-UHFFFAOYSA-N,4,1,0.457,2,422,429.871,4.184,5,0.413,0.68,1.0,0.6779778630662737,0.6324360907408677,0.6210249468850662,0.6082859296826811,0.6349312075937221
EOS-4-07865,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)c1,WHCYNMXOOVLNNG-UHFFFAOYSA-N,4,1,0.593,97,744,428.452,4.505,5,0.409,0.7,1.0,0.5811544787882942,0.6372678363374683,0.8710078130354328,0.8636231238434652,0.7382633130011652
EOS-4-07866,CCN(Cc1ccc(F)c(F)c1)Cc1cncc2nnc(-c3ccc(-c4ccsc4)c(OC)c3)n12,IDJIWVKLYGOQPT-UHFFFAOYSA-N,4,1,0.438,14,257,491.567,5.829,5,0.273,0.68,1.0,0.4726715098348297,0.5098947981632513,0.8081779864299911,0.7745442395997533,0.6413221335069563
EOS-4-07867,Cc1nc(-c2cc(-c3ccnnc3)cc(F)n2)ccc1-c1nnc2cncc(Cl)n12,FUXOIBIVJNPKPM-UHFFFAOYSA-N,4,1,0.431,58,844,418.823,3.806,5,0.411,0.6,1.0,0.3651309026111987,0.3972483037488863,0.5966177780823796,0.6348690973888013,0.4984665204578165
EOS-4-07868,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)c1F,AFGLUSDFFRDQRP-UHFFFAOYSA-N,4,1,0.54,11,490,436.447,4.21,5,0.397,0.62,1.0,0.8561184977040641,0.8595367007059146,0.6890291960797752,0.6898173531629086,0.7736254369131657
EOS-4-07870,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccccc5F)cc4F)n23)cc1,VXEXDUQJFIITSB-UHFFFAOYSA-N,4,1,0.371,62,3,442.429,4.158,5,0.452,0.84,1.0,0.31759303680350903,0.3496590363922966,0.8289870468096772,0.7932886710986224,0.5723819477760264
EOS-4-07871,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cncnc4F)n23)cc1C(F)F,XYHCDVAOZADOJM-UHFFFAOYSA-N,4,1,0.479,65,353,466.427,3.68,5,0.338,0.52,1.0,0.8739719690219999,0.7382718799259818,0.7646151737372353,0.6694623397985059,0.7615803406209307
EOS-4-07872,CNC(=O)Nc1c(C)cc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)cc1F,VCGKUSFONWRORT-UHFFFAOYSA-N,4,1,0.343,0,129,437.41,2.895,4,0.452,0.76,1.0,0.2537266122952505,0.20371290521554383,0.4928209170036324,0.3187581385785758,0.31725464327325065
EOS-4-07873,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4Cl)n23)ccc1-c1cocn1,ZRTCRBNOCZKCRJ-UHFFFAOYSA-N,4,1,0.511,11,777,466.86,4.264,5,0.328,0.63,1.0,0.9163354122404221,0.8436107874717291,0.7150212459735453,0.6435216914536358,0.7796222842848332
EOS-4-07874,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c(F)c2)cn1,GUKZAUKNGSLDOR-UHFFFAOYSA-N,4,1,0.5,37,490,451.412,3.626,5,0.392,0.7,1.0,0.7234682338427798,0.7010914262216434,0.8143290384483586,0.7907614282777055,0.7574125316976219
EOS-4-07875,CCc1nc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1-c1ccncc1,CJKMIYIHESLXOU-UHFFFAOYSA-N,4,1,0.378,46,717,446.421,3.458,5,0.365,0.56,0.858,0.5615790555822082,0.537497429922555,0.36665581522856555,0.3378024124460284,0.4508836782948393
EOS-4-07876,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)C5)c(F)c4)n23)cc1F,ZOFXQCYJLZMTIH-UHFFFAOYSA-N,4,1,0.366,0,188,484.413,3.317,5,0.448,0.81,0.999,0.2457165375916661,0.2542063600849839,0.4894541155506819,0.6435302583784525,0.4082268179014461
EOS-4-07877,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)nc1Cl,ABJIBJAQZUYQGG-UHFFFAOYSA-N,4,1,0.424,47,379,458.244,3.391,5,0.398,0.68,1.0,0.7907528613528888,0.7941110958810226,0.5139555205263519,0.6145826194229319,0.6783505242957988
EOS-4-07878,N#Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)ccn1,IZIPPOBRWZUBHV-UHFFFAOYSA-N,4,1,0.522,35,143,459.922,4.456,5,0.345,0.66,1.0,0.8608388732780481,0.9017716400520869,0.6240405044205332,0.637841820300185,0.7561232095127133
EOS-4-07879,Cc1ncc(-c2nccnc2-c2nnc3cncc(-c4cc(F)cc(C#N)c4)n23)cn1,FNILBHBPPLGGGJ-UHFFFAOYSA-N,4,1,0.287,39,961,409.388,3.025,5,0.446,0.73,1.0,0.2617880885477349,0.3158882187649921,0.49282948392844905,0.5323572750325544,0.40071576656843255
EOS-4-07880,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1cccc(Cl)c1F,LENCLAYKWPEBPE-UHFFFAOYSA-N,4,1,0.484,43,418,497.317,5.282,5,0.315,0.73,1.0,0.8674354053868824,0.9184857103694058,0.9014546638338702,0.8992615310808032,0.8966593276677404
EOS-4-07881,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)ncc1Cl,SAUPJBIDCNOHEI-UHFFFAOYSA-N,4,1,0.578,35,922,452.902,4.724,5,0.371,0.62,1.0,0.8946610924542526,0.8737149612774998,0.7738331848399699,0.7977691727777397,0.8349946028373655
EOS-4-07883,Fc1cnc(-c2cccnn2)cc1-c1nnc2cncc(OCc3ncc(Cl)nn3)n12,AAEGJRFNVFZCFJ-UHFFFAOYSA-N,4,1,0.385,53,875,436.798,2.2,5,0.404,0.59,0.999,0.6099479130971147,0.6761959427044069,0.16024432869577138,0.23455383455554793,0.42023550476321025
EOS-4-07884,Cc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCc3ccc(OC(F)(F)F)cn3)n12,LEPCDBMGJIETQX-UHFFFAOYSA-N,4,1,0.516,27,69,482.426,3.768,5,0.36,0.65,0.999,0.635391679802618,0.6521228839695703,0.8374340346789116,0.6550356384072373,0.6949960592145843
EOS-4-07886,Fc1cc(Cl)cnc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,MGRZXZJWUPJGHF-UHFFFAOYSA-N,4,1,0.54,11,275,452.902,4.724,5,0.371,0.69,1.0,0.9075114796792544,0.9087108491535878,0.6645106572544719,0.7096240833390446,0.7975892673565896
EOS-4-07888,N#Cc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1ccsc1,UIWMZVKORVGASM-UHFFFAOYSA-N,4,1,0.539,35,490,442.479,4.547,5,0.383,0.6,1.0,0.9135425947501885,0.9017802069769035,0.8104139538071414,0.8042629017887739,0.8574999143307518
EOS-4-07889,Cc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccnc(Cl)n1,KRVXFIKEPVSQHK-UHFFFAOYSA-N,4,1,0.438,18,578,462.876,3.761,5,0.277,0.57,1.0,0.8584829689534644,0.8067387430607909,0.4651497498457954,0.4460626413542595,0.6441085258035776
EOS-4-07890,Fc1cnccc1COc1cncc2nnc(-c3ccc(-c4cnsc4)nc3F)n12,MCGLPHAFLYOYSE-UHFFFAOYSA-N,4,1,0.476,55,143,423.408,3.562,5,0.399,0.69,1.0,0.6748423685833733,0.637276403262285,0.6645192241792885,0.6494328695771366,0.6565177164005209
EOS-4-07891,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4nc(Cl)ncc4Cl)n23)cc1F,KPVZKOAWVPCFMS-UHFFFAOYSA-N,4,1,0.511,90,133,462.272,3.008,4,0.439,0.75,1.0,0.7140788842437119,0.6041823726954972,0.42186107874717294,0.4523593310945103,0.5481204166952232
EOS-4-07892,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cc(F)cnc3F)n12,HGDIBDACMCGJDC-UHFFFAOYSA-N,4,1,0.489,11,201,461.457,4.081,5,0.351,0.72,1.0,0.917629017887739,0.8897865122335686,0.7622078678637516,0.7390429031594818,0.8271665752861352
EOS-4-07893,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5Cl)n34)cn2)cn1,MCHOJBFKVRECSV-UHFFFAOYSA-N,4,1,0.521,65,981,462.876,3.761,5,0.351,0.64,1.0,0.844904393119046,0.9087194160784045,0.5409756013981222,0.5186673291755192,0.7033166849427729
EOS-4-07894,Cc1cnnc(-c2ccc(-c3nnc4cncc(Oc5cc(Cl)cnn5)n34)cc2Cl)n1,VKQUXTJKJTVUSS-UHFFFAOYSA-N,4,1,0.4,36,706,452.265,3.841,5,0.401,0.66,1.0,0.67485093550819,0.7562110204920841,0.40388767048180385,0.5019361250085669,0.5842214378726612
EOS-4-07895,COc1cc(-c2nnc3cncc(COc4ncccc4F)n23)ccc1-c1ccsc1,VZRGEYXWYVRKBL-UHFFFAOYSA-N,4,1,0.418,14,257,433.468,4.642,5,0.388,0.69,1.0,0.6072407648550476,0.6417997395654855,0.7125882393256117,0.605141868274964,0.6416926530052772
EOS-4-07896,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cc(Cl)c(Cl)c(C(F)F)c4)n23)cc1F,ASZXICVBYCCBTL-UHFFFAOYSA-N,4,1,0.33,0,188,492.288,5.734,5,0.386,0.84,1.0,0.3812795558906175,0.6041909396203139,0.9568483996984443,0.9771605784387636,0.7298698684120348
EOS-4-07897,Cc1cnnc(-c2ccc(-c3nnc4cncc(Oc5ncc(F)cc5Cl)n34)cn2)n1,YNUIYZCPQIRMIO-UHFFFAOYSA-N,4,1,0.366,55,875,435.81,3.327,5,0.419,0.63,1.0,0.6988897265437598,0.7382804468507984,0.3038688232472072,0.34410766911109586,0.5212866664382154
EOS-4-07898,N#Cc1cc(-c2cc[nH]n2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,HWPDPSMGNVNYNR-UHFFFAOYSA-N,4,1,0.505,35,161,426.415,3.209,5,0.443,0.66,1.0,0.8946696593790693,0.8401240490713453,0.7436690425604825,0.712374066205195,0.797709204304023
EOS-4-07899,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)c(F)c2)n[nH]1,JJVUDNRNCBXEBR-UHFFFAOYSA-N,4,1,0.511,47,164,452.4,3.319,5,0.394,0.61,1.0,0.8355064765951614,0.846994722774313,0.6672777739702557,0.6259851963539168,0.7439410424234117
EOS-4-07900,Fc1cnc(-c2ncncc2-c2nnc3cncc(-c4cccc(C5CC5)n4)n23)nc1,ORFLLTABJHNNJV-UHFFFAOYSA-N,4,1,0.269,50,489,411.404,3.117,6,0.444,0.7,0.967,0.2831282982660544,0.3256031115070934,0.06535706942635872,0.16922246590363924,0.21082773627578644
EOS-4-07901,COc1nccc(F)c1COc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,RQXCZHBYJLBZED-UHFFFAOYSA-N,4,1,0.518,97,409,434.456,4.037,5,0.399,0.67,1.0,0.8177215406757591,0.7336200397505311,0.5576725378658077,0.4490610650400932,0.6395187958330478
EOS-4-07902,Fc1ncc(F)c(CCOc2cncc3nnc(-c4ccc(-n5cccn5)cc4)n23)n1,APROFWTXFSRDKR-UHFFFAOYSA-N,4,1,0.494,37,563,420.383,2.667,5,0.39,0.65,1.0,0.6184634363648824,0.4783856486875471,0.4003580974573367,0.38948666986498526,0.47167346309368785
EOS-4-07903,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1cncnn1,SXFHUMUVQUEVNS-UHFFFAOYSA-N,4,1,0.452,55,390,435.81,2.805,5,0.384,0.59,1.0,0.6657014598039888,0.8258686861764101,0.41815160030155574,0.47702350764169693,0.5966863134809128
EOS-4-07905,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cc1Cl,WNMPWIKVLONVKF-UHFFFAOYSA-N,4,1,0.5,90,385,451.701,4.172,4,0.407,0.68,0.999,0.7325748749228976,0.7645038037146186,0.6450723048454526,0.7011256939209102,0.7108191693509698
EOS-4-07906,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(F)cc1-c1cocn1,MHFRVEQPJFQDHN-UHFFFAOYSA-N,4,1,0.505,35,161,450.405,3.75,5,0.37,0.55,1.0,0.8331334384209444,0.6187804125830991,0.764623740662052,0.6607412103351381,0.7193197005003084
EOS-4-07907,FC(F)n1nnc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)cn5)n34)cc2)n1,CIWDLXLJQHTQPT-UHFFFAOYSA-N,4,1,0.5,36,447,456.804,2.862,5,0.379,0.63,1.0,0.4675484887944623,0.5468439448975396,0.30009080940305666,0.3030463984648071,0.40438241038996636
EOS-4-07908,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(F)c1F,XZSUXNLWABULRM-UHFFFAOYSA-N,4,1,0.5,90,133,458.856,3.489,4,0.455,0.72,0.989,0.6212219861558494,0.5375059968473717,0.6120382427523816,0.577624905763827,0.5870977828798574
EOS-4-07909,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)ccn1,YMRMPFMIXCSXGZ-UHFFFAOYSA-N,4,1,0.523,4,208,447.861,4.323,5,0.396,0.68,1.0,0.7535038722500171,0.810371119183058,0.7459564114865328,0.7441145226509492,0.7634864813926393
EOS-4-07910,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)nn2)n1,ABKFRSLGGYYCQG-UHFFFAOYSA-N,4,1,0.556,54,411,432.394,3.204,5,0.417,0.7,0.996,0.7991056130491399,0.6810962236995408,0.5069649098759509,0.49832944966074977,0.6213740490713453
EOS-4-07911,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(Cl)c4)n23)cc1F,YJUFYGAOAZTFPP-UHFFFAOYSA-N,4,1,0.385,0,682,452.877,3.36,4,0.483,0.91,1.0,0.42823487081077377,0.44757898704680965,0.5643633061476252,0.48311459118634775,0.48082293879788907
EOS-4-07912,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1F,WXYUQMDDWJZMFT-UHFFFAOYSA-N,4,1,0.679,48,378,423.423,3.441,4,0.493,0.85,1.0,0.6686827496401891,0.3210283736549928,0.6757076279898567,0.6082944966074978,0.5684283119731341
EOS-4-07913,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)ncc1C#N,FHRZEQONHTWIQI-UHFFFAOYSA-N,4,1,0.485,58,981,452.453,3.584,5,0.359,0.69,0.998,0.9176375848125556,0.9222037557398396,0.6296090055513672,0.5585549311219244,0.7570013193064218
EOS-4-07914,Cc1nc(-c2nnc3cncc(OCc4ccc(C(F)F)o4)n23)ccc1-c1ccccn1,RQXNDJKAVUGMDD-UHFFFAOYSA-N,4,1,0.478,27,122,434.406,4.666,5,0.384,0.65,0.994,0.7415187444314989,0.5948872592694127,0.7484750873826331,0.6288208484682338,0.6784254848879445
EOS-4-07915,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cnccc5F)n34)cn2)cn1,FNSSVVZIPQRLTF-UHFFFAOYSA-N,4,1,0.461,55,85,414.404,3.065,5,0.432,0.7,1.0,0.7766345692550202,0.7105835789185114,0.4754900280995134,0.40783702282228773,0.5926362997738331
EOS-4-07916,Fc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1-c1nnco1,HJCCKCBMPIGNKS-UHFFFAOYSA-N,4,1,0.5,37,482,456.8,3.184,5,0.379,0.63,1.0,0.8760108971283668,0.8651309026111987,0.5139640874511685,0.5810345418408608,0.7090351072578988
EOS-4-07917,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,KSJQHSUXKSEJAL-UHFFFAOYSA-N,4,1,0.522,11,201,461.457,4.081,5,0.351,0.71,0.999,0.8855201836748681,0.879386265506134,0.7914724830374888,0.7544805016791173,0.8277148584744021
EOS-4-07918,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1nccs1,VXDTYUBGIJKVSS-UHFFFAOYSA-N,4,1,0.624,91,955,447.495,4.684,5,0.361,0.77,1.0,0.9340004112123912,0.8364831060242616,0.6863905832362415,0.5961637310670962,0.7632594578849976
EOS-4-07919,Cc1ncc(-c2cc(Cc3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nnn2)cn1,KOFBJWKCZGJPJU-UHFFFAOYSA-N,4,1,0.363,85,60,440.858,2.858,5,0.413,0.61,1.0,0.3558871907340141,0.5057655404016175,0.43667329175519154,0.48619868412034817,0.4461311767527928
EOS-4-07920,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ccccn5)nn4)n23)cc1Cl,FVSVZGFXCJSZMJ-UHFFFAOYSA-N,4,1,0.488,54,411,434.822,3.41,5,0.414,0.66,0.999,0.5930796381330957,0.6041995065451305,0.4961705846069495,0.5616904256048249,0.5637850387225002
EOS-4-07921,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)c(F)c4F)n23)cc1F,KQONQDRKAHGIKP-UHFFFAOYSA-N,4,1,0.34,0,21,480.45,3.601,5,0.48,0.89,0.998,0.1880182989514084,0.19923240353642657,0.06348091289150846,0.267330888904119,0.17951562607086563
EOS-4-07922,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cc(-c4cncnc4)cnn3)n12,FORMBHPADOOUDO-UHFFFAOYSA-N,4,1,0.404,51,435,435.81,2.805,5,0.41,0.61,1.0,0.5175193612500857,0.532777054348571,0.4790624357480639,0.5386539647728051,0.5170032040298814
EOS-4-07924,COc1cc(-c2nnc3cncc(COc4cccnc4F)n23)ccc1-c1cnnc2ccccc12,KWFOCKMSGVVJEH-UHFFFAOYSA-N,4,1,0.342,14,18,479.475,4.523,6,0.322,0.74,0.999,0.6441042423411693,0.5902011513946953,0.7205811801795627,0.6408488109108355,0.6489338462065657
EOS-4-07925,Oc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1ncncn1,KZNSGWYDJOGSQM-UHFFFAOYSA-N,4,1,0.489,20,320,447.846,2.414,5,0.386,0.58,1.0,0.8909858817079022,0.8401326159961621,0.2167860324857789,0.20242786649304365,0.5375830991707217
EOS-4-07927,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4Cl)n23)cc1,PVWHEGCOQYMOCY-UHFFFAOYSA-N,4,1,0.655,48,378,439.878,3.955,4,0.471,0.8,1.0,0.7708090603796861,0.5699489411280927,0.7099581934068947,0.6522342539921869,0.6757376122267151
EOS-4-07928,Fc1ccncc1COc1cncc2nnc(-c3cc(Cl)nc(-c4nccs4)c3)n12,NWNLKVGKBKAOOR-UHFFFAOYSA-N,4,1,0.471,24,912,439.863,4.076,5,0.381,0.64,0.988,0.7563223905147008,0.7197587553971626,0.5805633609759441,0.6204766636967994,0.6692802926461517
EOS-4-07929,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(O)c4)n23)ccc1F,BCWNSSASXRHMPJ-UHFFFAOYSA-N,4,1,0.505,4,702,445.439,3.605,5,0.435,0.7,1.0,0.7591666095538345,0.7941196628058392,0.5966263450071962,0.5120707970666849,0.6654958536083888
EOS-4-07930,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)c(F)c4)n23)ccc1F,QBAMWUSEVLPRFR-UHFFFAOYSA-N,4,1,0.522,11,275,461.457,4.081,5,0.375,0.7,1.0,0.930753546706874,0.9107155095606881,0.7383575491741484,0.7175998903433624,0.8243566239462683
EOS-4-07931,CCNC(=O)c1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c(F)c1,OXSVWWLQWJWQMS-UHFFFAOYSA-N,4,1,0.488,90,555,426.839,3.308,4,0.475,0.73,1.0,0.689860187786992,0.6372849701871016,0.6325474607634843,0.564885888561442,0.631144626824755
EOS-4-07932,Cc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cscn1,LGRWJJYVYKELFN-UHFFFAOYSA-N,4,1,0.727,91,660,447.951,5.498,5,0.344,0.79,1.0,0.89945000342677,0.8995785072990199,0.7622164347885683,0.772154067575903,0.8333497532725653
EOS-4-07933,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4F)n23)ncc1Cl,HUVKAGPYIMYWFP-UHFFFAOYSA-N,4,1,0.473,37,832,454.828,3.525,5,0.418,0.65,1.0,0.7963984648070729,0.8220992392570763,0.7670224796107189,0.8020612021108903,0.7968953464464397
EOS-4-07934,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(F)c2)ccn1,ZAKCQHYEIAMPOK-UHFFFAOYSA-N,4,1,0.494,4,208,447.861,4.323,5,0.396,0.73,1.0,0.7325834418477143,0.8297580700431773,0.7308100884106641,0.7337314097731479,0.7567207525186759
EOS-4-07935,Cc1nc(-c2ccc(-c3nnc4cncc(CNCc5ccc(Cl)nc5)n34)c(F)c2)cs1,QDQADWRBDMMLIS-UHFFFAOYSA-N,4,1,0.318,14,291,465.945,4.701,5,0.366,0.81,1.0,0.28580974573367146,0.344981495442396,0.6389298197519019,0.6466143513124529,0.4790838530601056
EOS-4-07936,Fc1cc(-c2cnon2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,HYFBTTOTAMHTRX-UHFFFAOYSA-N,4,1,0.552,35,626,421.367,3.136,5,0.385,0.73,1.0,0.8205486258652595,0.7336286066753478,0.6533565211431704,0.6378503872250018,0.7113460352271949
EOS-4-07937,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)c1F,SQWXIMXZRKZTOS-UHFFFAOYSA-N,4,1,0.506,59,606,436.447,4.475,5,0.404,0.75,1.0,0.852023507641697,0.7860153519292715,0.7574446576656844,0.7096326502638612,0.7762790418751286
EOS-4-07938,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cnsn5)cc4)n23)c1Cl,ZYZQOQHMYUSBFM-UHFFFAOYSA-N,4,1,0.541,35,626,453.89,4.119,5,0.357,0.58,1.0,0.9043588513467206,0.8846035227194846,0.6564748817764375,0.6871273387704749,0.7831411486532794
EOS-4-07939,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(Cl)n2)cn1,RZXSEKBOZRICBF-UHFFFAOYSA-N,4,1,0.489,65,271,462.876,3.761,5,0.351,0.54,1.0,0.8355150435199781,0.887199300938935,0.4894626824754986,0.48912857240764857,0.675326399835515
EOS-4-07940,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)ccc1F,JVIYSXIPUDADLB-UHFFFAOYSA-N,4,1,0.542,97,702,429.44,3.9,5,0.417,0.71,1.0,0.7505482831882667,0.7645123706394352,0.7229970529778631,0.6812932629703242,0.7298377424439723
EOS-4-07941,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cc2F)n1,JXTXNTLFVYPMBF-UHFFFAOYSA-N,4,1,0.522,37,699,445.433,3.851,5,0.392,0.81,1.0,0.907520046604071,0.8951665410184361,0.564371873072442,0.5386625316976218,0.7264302480981427
EOS-4-07943,Fc1cc(F)nc(COc2cncc3nnc(-c4cc(-c5cncc(F)n5)cnn4)n23)c1,VTQICODFEXKTID-UHFFFAOYSA-N,4,1,0.415,46,511,437.345,2.43,5,0.382,0.64,0.644,0.467557055719279,0.4966503323966829,0.5409841683229388,0.5616989925296415,0.5167226372421355
EOS-4-07944,Cc1cnnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ncc(F)c(Cl)n5)n34)c2)n1,JPPFPZONQXIORN-UHFFFAOYSA-N,4,1,0.467,73,379,467.827,3.252,5,0.359,0.61,1.0,0.6868788979507916,0.7010999931464601,0.4218696456719896,0.47409361935439653,0.5709855390309094
EOS-4-07945,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccnc4nn4cc3)n12,ZPRRPPRPOVQSJQ-UHFFFAOYSA-N,4,1,0.544,11,0,458.482,3.694,6,0.376,0.63,1.0,0.5332568021383044,0.5327856212733877,0.3631262422040984,0.38584572681790147,0.453753598108423
EOS-4-07946,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)cc3)n12,REOSHIADPZDKEE-UHFFFAOYSA-N,4,1,0.615,35,982,418.457,4.07,5,0.414,0.64,1.0,0.8497104379411966,0.8067473099856076,0.694477760263176,0.6784062093071072,0.7573354293742718
EOS-4-07947,Fc1cc(-c2cnns2)cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)c1,DKRMFNVKUDFKQG-UHFFFAOYSA-N,4,1,0.517,37,490,455.425,3.744,5,0.385,0.55,1.0,0.57556027688301,0.6089969844424645,0.7205897471043794,0.7519275580837502,0.664268641628401
EOS-4-07948,Cc1nc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1Cl,KMMILEXWGOCRHK-UHFFFAOYSA-N,4,1,0.44,90,244,405.22,3.915,4,0.512,0.71,1.0,0.6099564800219314,0.7473613871564663,0.7099667603317114,0.7977777397025564,0.7162655918031664
EOS-4-07949,Cc1cnnc(COc2cncc3nnc(-c4cncc(-c5cccc(F)c5)c4)n23)c1Cl,GBLAGKFJECXSII-UHFFFAOYSA-N,4,1,0.452,2,137,447.861,4.323,5,0.396,0.74,1.0,0.5674302652319924,0.7059745733671441,0.6944863271879926,0.7622335686382017,0.6825311836063327
EOS-4-07950,CCn1cc(-c2cc(-c3nnc4cncc(OCc5nccc(Cl)c5F)n34)ccc2F)cn1,JQRYWYCFEFOXSR-UHFFFAOYSA-N,4,1,0.467,73,394,467.867,4.58,5,0.363,0.65,1.0,0.5434086080460558,0.6617949420875883,0.8234185456788431,0.8249605921458433,0.7133956719895826
EOS-4-07951,Clc1cc(-c2cc[nH]n2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,QBEGVYHJRMXKRB-UHFFFAOYSA-N,4,1,0.57,35,619,417.86,3.851,5,0.451,0.72,1.0,0.8257230484545267,0.8737235282023165,0.6210335138098828,0.6522428209170036,0.7431807278459324
EOS-4-07952,N#Cc1cc(-c2nccs2)cc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)c1,LMOGWWQCVPOHDA-UHFFFAOYSA-N,4,1,0.512,97,214,429.44,3.9,5,0.391,0.71,1.0,0.7879429100130217,0.6230124734425331,0.7597834281406346,0.7150126790487287,0.7214378726612295
EOS-4-07953,Fc1cc(-c2nnc3cncc(OCc4cnnc(Cl)c4)n23)ccc1-c1nncs1,KSGSKMBGCYHLEG-UHFFFAOYSA-N,4,1,0.506,72,659,440.851,3.471,5,0.409,0.6,1.0,0.8631776437529984,0.8625008566924817,0.5139726543759852,0.5683040915632924,0.7019888115961894
EOS-4-07954,Fc1cnncc1COc1cncc2nnc(-c3ccc(-c4ncco4)nc3Cl)n12,AOYLRQCMBBURMK-UHFFFAOYSA-N,4,1,0.465,55,28,424.783,3.003,5,0.392,0.63,1.0,0.6959255705571928,0.6418083064903023,0.4256904941402234,0.452367898019327,0.5539480673017614
EOS-4-07955,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)cc3)n12,UFLBBUCBCIXFDH-UHFFFAOYSA-N,4,1,0.575,11,201,418.457,4.07,5,0.387,0.8,1.0,0.9282091700363237,0.9067147556713042,0.5377801384415051,0.5053714618600507,0.7195188815022959
EOS-4-07956,Fc1cc(-c2cncc3nnc(-c4cnc(-c5ccccc5)nc4)n23)cnc1-c1ccon1,MLNVDEBCJHPKJA-UHFFFAOYSA-N,4,1,0.36,32,106,436.41,4.104,6,0.406,0.74,1.0,0.2914639161126722,0.3496676033171133,0.4512199300938935,0.4983380165855664,0.39767236652731136
EOS-4-07957,N#Cc1cc(-c2nnc3cncc(-c4ncc(-c5ccncc5)s4)n23)ccc1Cl,QZVMUMYKDQTNNJ-UHFFFAOYSA-N,4,1,0.346,96,216,415.869,4.502,5,0.43,0.69,0.997,0.1823212939483243,0.4387122198615585,0.7383661160989651,0.8063275306695908,0.5414317901446097
EOS-4-07958,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4nccnn4)cc3Cl)n12,XCMBASCVQYNVAX-UHFFFAOYSA-N,4,1,0.489,37,353,449.837,2.847,5,0.385,0.6,1.0,0.8283445274484271,0.8872078678637516,0.3440734014118292,0.4238143376053732,0.6208600335823453
EOS-4-07959,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(F)cn5)n34)cn2)cn1,ZQFPCEDQPBYLDO-UHFFFAOYSA-N,4,1,0.483,7,85,432.394,3.204,5,0.417,0.58,1.0,0.6927558083750257,0.7011085600712769,0.5869799876636282,0.5155489685422521,0.6240983311630457
EOS-4-07960,Fc1cc(Cl)ccc1-c1nnc2cncc(OCc3cc(-c4cnccn4)ns3)n12,PJYHTUPGIRLHSQ-UHFFFAOYSA-N,4,1,0.536,55,540,439.863,4.076,5,0.407,0.63,1.0,0.6809591529024741,0.8364916729490782,0.5512559111781234,0.6408573778356521,0.6773910287163319
EOS-4-07961,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)cc1F,MXEPMHCMJNYPQZ-UHFFFAOYSA-N,4,1,0.506,36,610,438.373,2.978,5,0.416,0.63,1.0,0.7171801110273456,0.7336371736001644,0.6782434377355905,0.6784147762319238,0.701868874648756
EOS-4-07962,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4Cl)n23)c1,VRIQAZIFWACRQT-UHFFFAOYSA-N,4,1,0.553,37,325,472.267,4.304,5,0.337,0.67,1.0,0.8426941265163457,0.8470032896991296,0.720598314029196,0.7932972380234391,0.8008982420670276
EOS-4-07963,Fc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)ccc1-c1nncs1,VBTXEBMROASCBZ-UHFFFAOYSA-N,4,1,0.494,72,712,458.841,3.61,5,0.393,0.6,1.0,0.7325920087725311,0.8651394695360154,0.5711825783016928,0.6408659447604688,0.702445000342677
EOS-4-07964,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCCF)cc4)n23)c(F)c1F,JXYXRBMTXJBECN-UHFFFAOYSA-N,4,1,0.361,0,938,454.412,2.795,4,0.467,0.82,1.0,0.4257761633883901,0.39725687067370297,0.6181378932218491,0.4770320745665136,0.4795507504626139
EOS-4-07965,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4OC)n23)ccc1-c1cnco1,QJGIXXURIPKQGV-UHFFFAOYSA-N,4,1,0.489,97,103,448.414,3.577,5,0.369,0.67,1.0,0.8257316153793435,0.641816873415119,0.5966349119320129,0.3797889109725173,0.6109930779247482
EOS-4-07966,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(O)(CF)CF)cn4)n23)cc1F,JPDYXWAJMYAHIX-UHFFFAOYSA-N,4,1,0.315,0,188,468.439,3.011,5,0.432,0.78,0.998,0.2561596189431842,0.3972654375985196,0.7336029059008978,0.7416643821533823,0.5321730861489959
EOS-4-07967,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1Cl,QQBUTAOSJACHLB-UHFFFAOYSA-N,4,1,0.456,73,353,454.828,3.492,5,0.375,0.62,1.0,0.7264837913782468,0.8401411829209787,0.6062727023507641,0.6230895757658831,0.6989968131039682
EOS-4-07968,Clc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,JBCUJZPFFRNJHC-UHFFFAOYSA-N,4,1,0.5,2,904,430.859,3.313,5,0.404,0.65,1.0,0.7017767802069769,0.7473699540812829,0.4894712494003153,0.5253152628332534,0.6159833116304572
EOS-4-07969,Fc1nc(-c2ccccn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,LLZXGCABXDAONX-UHFFFAOYSA-N,4,1,0.506,24,28,434.822,3.41,5,0.387,0.63,1.0,0.6323418545678843,0.7382890137756151,0.41426221643478855,0.46808820505791243,0.56324532245905
EOS-4-07972,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)cc4Cl)n23)nc1,OOQWSQQZRPDARJ-UHFFFAOYSA-N,4,1,0.553,4,850,445.895,4.414,5,0.394,0.74,1.0,0.6323504214927009,0.802660886848057,0.757453224590501,0.7698238640257693,0.7405720992392572
EOS-4-07974,COc1cc(-c2nnc3cncc(OCCc4c(F)cnnc4Cl)n23)ccc1-c1cccnc1,CHFSHMDIKGYWCR-UHFFFAOYSA-N,4,1,0.516,35,103,477.887,4.066,5,0.346,0.63,1.0,0.9135511616750052,0.8793948324309506,0.6506579398259201,0.6319734768007675,0.7688943526831609
EOS-4-07975,OCc1cnc(-c2cncc3nnc(-c4nncnc4-c4ccc(F)c(F)n4)n23)nc1,PZRCRCCTNOWBJL-UHFFFAOYSA-N,4,1,0.247,50,261,420.343,1.266,5,0.423,0.66,0.026,0.24844081968336645,0.2956103077239394,0.15700603111507094,0.2226972106092797,0.23093859228291413
EOS-4-07976,Cc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,OIWGVLKWQYMKHA-UHFFFAOYSA-N,4,1,0.484,65,262,462.876,3.761,5,0.351,0.65,1.0,0.9120947844561716,0.8974025083955863,0.3481084230004797,0.3765677472414502,0.633543365773422
EOS-4-07977,Fc1ccc(-c2nnc3cncc(OCc4cccnc4F)n23)cc1-c1nncs1,IRSOKOCYBNROAX-UHFFFAOYSA-N,4,1,0.529,72,389,423.408,3.562,5,0.399,0.76,1.0,0.8836440271400178,0.7903245151120554,0.6533650880679871,0.6522513878418204,0.7448962545404703
EOS-4-07978,N#Cc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,AAHDNVCOHGXIHB-UHFFFAOYSA-N,4,1,0.539,35,161,443.467,3.942,5,0.392,0.67,1.0,0.8873963402097184,0.8711877184565828,0.7410818312658488,0.7123826331300116,0.8030121307655405
EOS-4-07979,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)c(F)c4)n23)c(F)c1F,WQGDDAUMKVFTEG-UHFFFAOYSA-N,4,1,0.316,0,129,484.413,3.029,5,0.45,0.81,0.992,0.3989274210129532,0.48719244739908163,0.554776917277774,0.6173840038379823,0.5145701973819478
EOS-4-07980,Cc1cc(-c2cncc3nnc(-c4cncnc4-c4ccc(F)cn4)n23)cnc1F,QWUWJQWSEWCWFL-UHFFFAOYSA-N,4,1,0.299,50,155,402.368,3.292,5,0.427,0.72,0.719,0.312589952710575,0.34967617024193,0.5901497498457954,0.6114899595641149,0.46597645809060384
EOS-4-07981,Cc1cn(C)nc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4)n23)c(Cl)c1,VBOAXVIMCUGLKG-UHFFFAOYSA-N,4,1,0.568,43,521,448.889,4.872,5,0.383,0.77,1.0,0.570351586594476,0.7517133849633335,0.8162051949832089,0.8171561236378589,0.7388565725447193
EOS-4-07982,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(F)c(-c5cscn5)c4)n23)c1,UXHZUSNNZQSSGP-UHFFFAOYSA-N,4,1,0.557,11,490,436.447,4.21,5,0.397,0.67,1.0,0.8608474402028647,0.865148036460832,0.7230056199026798,0.7365499280378316,0.796387756151052
EOS-4-07983,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5css5)cc4)n23)ccc1F,DXILDQIWAVFUHB-UHFFFAOYSA-N,4,1,0.53,4,702,434.481,4.566,5,0.377,0.73,1.0,0.8520320745665136,0.829766636967994,0.6757161949146734,0.6408745116852854,0.7495973545336166
EOS-4-07984,Cn1nnc(C(F)(F)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cn2)n1,MHYIUHOSTATHMS-UHFFFAOYSA-N,4,1,0.322,61,413,466.387,1.755,5,0.413,0.69,1.0,0.2724539099444863,0.31071379617572475,0.45489514084024396,0.3218336645877596,0.33997412788705367
EOS-4-07985,COc1ncc(-c2nnc3cncc(OCc4ccc(F)c(F)c4)n23)cc1-c1nc(C)c[nH]1,FUMIFWXGUZYDMK-UHFFFAOYSA-N,4,1,0.583,59,294,449.421,3.751,5,0.421,0.68,1.0,0.704946542389144,0.6230210403673497,0.6972877116030429,0.5776334726886437,0.6507221917620452
EOS-4-07986,Fc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,UDKNVDRLFKALQB-UHFFFAOYSA-N,4,1,0.5,35,143,414.404,2.799,5,0.391,0.64,1.0,0.812641354259475,0.8258772531012268,0.3966914536358029,0.3858542937427181,0.6052660886848058
EOS-4-07987,COc1cc(-c2nnc3cncc(COc4ccncc4F)n23)ccc1-c1ccnnc1,UYHYQFCWEQNVJE-UHFFFAOYSA-N,4,1,0.404,14,351,429.415,3.37,5,0.405,0.71,1.0,0.6560979370845041,0.5282879857446371,0.7206068809540127,0.5933023781783291,0.6245737954903707
EOS-4-07988,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC)c(F)c4)n23)cc1Cl,VZMZQGSXFHFUJA-UHFFFAOYSA-N,4,1,0.385,0,682,452.877,3.36,4,0.483,0.91,1.0,0.4282434377355904,0.44758755397162636,0.5643804399972586,0.4831231581111644,0.48083364745390994
EOS-4-07989,CCc1c(-c2cncc3nnc(-c4cnc(C(C)(F)F)nc4)n23)ccc(C(=O)NC2CC2)c1F,MAOZPLMSYKUFAG-UHFFFAOYSA-N,4,1,0.304,63,792,467.455,3.954,5,0.461,0.73,0.995,0.1934497292851758,0.32103694057980947,0.4328867109862244,0.3700140497566993,0.32934685765197724
EOS-4-07990,CCNC(=O)c1ccc(-c2nnc3cncc(-c4nc5c(F)cc(F)c(F)c5s4)n23)c(F)c1F,HQVAQHSFQQWACK-UHFFFAOYSA-N,4,1,0.303,45,26,490.417,4.513,5,0.296,0.59,0.85,0.3491021862792132,0.4068089918442876,0.8040829963676239,0.815245699403742,0.5938099684737167
EOS-4-07991,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)ccn2)cn1,YCNUDWPCNHAMMO-UHFFFAOYSA-N,4,1,0.529,7,99,448.849,3.718,5,0.4,0.61,1.0,0.6531937495716538,0.6762045096292235,0.5934051812761291,0.5714224521965595,0.6235564731683915
EOS-4-07992,Cc1ccc(-c2nnc3cncc(OCc4cc(-c5cnc(C#N)cn5)ncn4)n23)cc1F,KGHQUMFTHFIVSH-UHFFFAOYSA-N,4,1,0.479,7,354,439.414,2.937,5,0.406,0.64,1.0,0.7415273113563156,0.8142605030498252,0.5711911452265095,0.49834658351038313,0.6563313857857583
EOS-4-07993,Cc1ccc(COc2cncc3nnc(-c4cncc(-c5ncc(C#N)cc5F)c4)n23)c(C)n1,MAADTLWTFWDPDH-UHFFFAOYSA-N,4,1,0.442,2,879,452.453,3.85,5,0.395,0.71,1.0,0.7444914673428826,0.6372935371119183,0.6645277911041053,0.5714310191213762,0.6544359536700706
EOS-4-07994,N#Cc1cc(-c2nnc3cncc(OCc4cnnc(Cl)c4)n23)ccc1Cl,WTWORXBXKUJOBO-UHFFFAOYSA-N,4,1,0.557,90,555,398.213,3.339,4,0.52,0.68,1.0,0.8608560071276814,0.9483500102803097,0.8564783085463642,0.8924679597011856,0.8895380714138852
EOS-4-07995,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)cc3)n12,GFEMNPIAILDEIP-UHFFFAOYSA-N,4,1,0.541,35,922,452.902,4.724,5,0.371,0.62,1.0,0.8355236104447947,0.8625094236172983,0.7308186553354807,0.7769001439243369,0.8014379583304776
EOS-4-07996,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)n1,NOESHIQAQYDRSP-UHFFFAOYSA-N,4,1,0.484,87,143,437.435,3.605,5,0.296,0.69,1.0,0.7445000342676993,0.7517219518881503,0.4256990610650401,0.42382290453018984,0.5864359879377699
EOS-4-07997,FCn1nccc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(Cl)c1,HSDPCXAUSZNIJE-UHFFFAOYSA-N,4,1,0.452,72,208,471.283,4.258,5,0.365,0.63,1.0,0.5901240490713453,0.6958399013090261,0.5999674456856967,0.684343088205058,0.6425686210677816
EOS-4-07998,COc1cc(-c2nnc3cncc(CNCc4ncc(F)cc4F)n23)ccc1-c1ccsc1,KUJLEJLVJGOCQV-UHFFFAOYSA-N,4,1,0.353,60,41,464.501,4.491,5,0.382,0.69,1.0,0.4141422794873552,0.37374066205194983,0.7256013981221301,0.6753221163731067,0.5472016140086354
EOS-4-07999,Cc1ccnc(-c2cc(F)cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)n1,YLNIACGIRGYRHK-UHFFFAOYSA-N,4,1,0.506,73,196,448.849,3.718,5,0.4,0.65,1.0,0.7110033582345281,0.7151925844698787,0.4403570694263587,0.4586474539099445,0.5813001165101775
EOS-4-08000,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(Cl)cc4Cl)n23)cn1)N1CCCC1,SCWCOBSVYBCPSV-UHFFFAOYSA-N,4,1,0.443,78,345,453.333,4.32,5,0.46,0.86,0.999,0.14916729490781988,0.3005876910424234,0.016311424850935508,0.23173531629086422,0.17445043177301076
EOS-4-08001,CNCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1F,MYLYLOWHJJWFAP-UHFFFAOYSA-N,4,1,0.56,90,400,412.856,3.32,4,0.501,0.72,1.0,0.7991141799739565,0.647076965252553,0.7282742786649304,0.7096412171886779,0.7210266602700295
EOS-4-08002,N#Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(C(F)F)nc5)n34)ncn2)nc1,ZCWLDGMZEKQSHF-UHFFFAOYSA-N,4,1,0.448,7,185,458.392,2.822,5,0.373,0.63,0.997,0.6593191008155712,0.6958484682338428,0.5711997121513261,0.4770406414913303,0.6008519806730176
EOS-4-08003,COc1cc(-c2nnc3cncc(OCCc4c(F)cncc4F)n23)ccc1-c1cnco1,BPAMCXFVRNUAMR-UHFFFAOYSA-N,4,1,0.549,35,982,450.405,3.75,5,0.37,0.68,1.0,0.867443972311699,0.6861250085669248,0.7597919950654513,0.652259954766637,0.7414052326776781
EOS-4-08004,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)c(F)c1,AZOYJDZDQTVXKI-UHFFFAOYSA-N,4,1,0.453,66,12,443.389,2.987,4,0.468,0.69,1.0,0.49732711945719965,0.5375145637721883,0.5934137482009458,0.43017956274415736,0.5146087485436228
EOS-4-08005,COc1ncc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)cc1-c1cncnc1,QVYGJGGSCBMGOS-UHFFFAOYSA-N,4,1,0.457,2,817,448.393,2.904,5,0.362,0.64,1.0,0.6157734219724488,0.59952196559523,0.5869885545884449,0.4741021862792132,0.5690965321088342
EOS-4-08006,Cc1cc(COc2cncc3nnc(-c4ncncc4-c4ccc(F)c(F)c4)n23)nnc1Cl,JLXWUIWHHSCWTH-UHFFFAOYSA-N,4,1,0.396,46,391,466.839,3.857,5,0.384,0.68,0.984,0.5959666917963128,0.6762130765540402,0.662189020629155,0.7150212459735453,0.6623475087382633
EOS-4-08007,COc1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1cnsc1,SXLBRDKGTBQFHY-UHFFFAOYSA-N,4,1,0.483,97,103,452.446,4.176,5,0.357,0.53,1.0,0.8380936878897951,0.7011171269960935,0.8125214173120416,0.7228257144815297,0.768639486669865
EOS-4-08009,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)c(F)c1,PKETUGOGJYGPIU-UHFFFAOYSA-N,4,1,0.538,90,385,428.374,2.585,4,0.475,0.8,1.0,0.6717839764238229,0.5282965526694537,0.6757247618394902,0.5776420396134604,0.6133618326365567
EOS-4-08010,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(C(F)F)c4)n23)cc1F,XTDFVFHKNFXFBT-UHFFFAOYSA-N,4,1,0.322,66,999,412.375,3.68,4,0.541,0.84,1.0,0.2942995682269892,0.3737492289767665,0.8638886985127818,0.8020697690357069,0.5835018161880611
EOS-4-08011,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccncc1,OIMXHZMFXKDKNR-UHFFFAOYSA-N,4,1,0.566,97,83,444.882,4.489,5,0.381,0.7,1.0,0.7110119251593447,0.7059831402919607,0.7716743197861695,0.7123912000548284,0.7252651463230758
EOS-4-08012,N#Cc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cscn1,QSYMGNMSTNCHNJ-UHFFFAOYSA-N,4,1,0.551,35,161,443.467,3.942,5,0.392,0.64,1.0,0.914998971969022,0.8995870742238367,0.7532040298814338,0.7203070385854293,0.8220242786649303
EOS-4-08013,Fc1cccc(-c2csc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)n2)n1,PFYHIEWMYLWVRS-UHFFFAOYSA-N,4,1,0.568,1,268,438.875,4.681,5,0.371,0.77,1.0,0.8075526009183743,0.9203018984305393,0.5966434788568296,0.6930128161195257,0.7543776985813172
EOS-4-08014,N#CCCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)F)nn4)n23)cc1,UVJIMWYCFYCBKI-UHFFFAOYSA-N,4,1,0.35,66,999,438.373,2.911,4,0.476,0.86,1.0,0.2591323418545679,0.2644010006168186,0.7872318552532382,0.6083030635323144,0.47976706531423474
EOS-4-08015,N#Cc1ccnc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)c1,PMDGAPZTNWLLLX-UHFFFAOYSA-N,4,1,0.494,4,143,429.44,3.9,5,0.391,0.77,1.0,0.6593276677403879,0.7562195874169009,0.6782520046604071,0.655044205332054,0.6872108662874374
EOS-4-08016,Fc1cc(-c2ncc[nH]2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,UVRPKHXPELERCM-UHFFFAOYSA-N,4,1,0.462,4,208,422.811,3.343,5,0.462,0.78,1.0,0.6988982934685766,0.7773199232403536,0.5712082790761428,0.617392570762799,0.666204766636968
EOS-4-08017,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4cnc(Cl)cc4F)n23)cc1F,SGSHNNJAOWBOFY-UHFFFAOYSA-N,4,1,0.318,14,291,466.883,3.808,5,0.383,0.69,1.0,0.3558957576588308,0.41173497361387157,0.7484836543074498,0.7597320265917347,0.5689616030429717
EOS-4-08018,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)nc1-c1ncc(Cl)cn1,CXAGXGMKLNIPQB-UHFFFAOYSA-N,4,1,0.398,46,775,470.255,3.458,5,0.381,0.6,1.0,0.6323589884175177,0.6762216434788568,0.31095367007059144,0.45542629017887737,0.5187401480364608
EOS-4-08019,Cc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,FNAIKSBKBWGENL-UHFFFAOYSA-N,4,1,0.5,65,263,462.876,3.761,5,0.375,0.66,1.0,0.8836525940648345,0.8846120896443013,0.4003666643821534,0.42717257213350696,0.648950980056199
EOS-4-08020,Clc1ccncc1CCOc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,PLPBOAGSYTZTRO-UHFFFAOYSA-N,4,1,0.484,2,142,430.859,3.313,5,0.404,0.64,1.0,0.6868874648756083,0.7336457405249811,0.48256630799808103,0.5288277020080872,0.6079818038516893
EOS-4-08021,N#Cc1cc(NCc2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)ccc1F,XDTSIXOAALTVCQ-UHFFFAOYSA-N,4,1,0.436,23,678,405.368,2.652,4,0.526,0.82,1.0,0.33743403467891164,0.3640086354602152,0.819554862586526,0.7544890686039339,0.5688716503323967
EOS-4-08022,Fc1cc(-c2csnn2)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,ZFAZEPWHZCFHMC-UHFFFAOYSA-N,4,1,0.541,34,712,441.398,3.701,5,0.384,0.69,0.999,0.39476389555205266,0.5011479679254335,0.7785364265643204,0.7933058049482558,0.6169385237475156
EOS-4-08023,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)cc1Cl,YTXIJKWWEZZFIN-UHFFFAOYSA-N,4,1,0.385,0,682,452.877,3.36,4,0.483,0.89,1.0,0.4257847303132068,0.447596120896443,0.5643890069220753,0.48313172503598106,0.4802253957919265
EOS-4-08024,C#Cc1ccc(-c2ncc(-c3cncc4nnc(-c5nncnc5-c5ccc(F)cc5)n34)cn2)nn1,UYBGMEVOQCVLOL-UHFFFAOYSA-N,4,1,0.289,10,356,473.435,2.678,6,0.352,0.65,0.982,0.24844938660818314,0.2956188746487561,0.23487081077376465,0.3157511479679254,0.2736725549996573
EOS-4-08025,FC(F)(F)c1noc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)n1,YNHZDEYZUGASDW-UHFFFAOYSA-N,4,1,0.477,68,127,397.704,2.821,4,0.484,0.7,1.0,0.6268932903844836,0.7860239188540882,0.6835977657460078,0.5746007813035433,0.6677789390720308
EOS-4-08026,COc1cc(-c2nnc3cncc(OC4CCOC4)n23)ccc1-c1cccc(Cl)n1,WZMLQFLPLCWHBY-UHFFFAOYSA-N,4,1,0.414,15,947,423.86,3.683,5,0.453,0.67,1.0,0.7879514769378384,0.5514957850729902,0.4583219107669111,0.4983551504351998,0.574031080803235
EOS-4-08027,COc1ncc(-c2nnc3cncc(OCc4cccc(F)c4)n23)cc1-c1cscn1,RQUJUVCLSHUJJN-UHFFFAOYSA-N,4,1,0.523,97,109,434.456,4.037,5,0.399,0.73,1.0,0.7140874511685286,0.6324446576656844,0.5776334726886437,0.49223836611609895,0.6041009869097389
EOS-4-08028,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)ccn1,LXQGQECVAQGAQT-UHFFFAOYSA-N,4,1,0.542,35,143,469.357,5.238,5,0.317,0.67,1.0,0.807561167843191,0.8651566033856487,0.6811047906243575,0.7570591460489343,0.7777204269755328
EOS-4-08029,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cccc(F)c5)n4)n23)cc1F,KSERTPUYPCSBAM-UHFFFAOYSA-N,4,1,0.383,96,837,429.39,3.292,5,0.469,0.76,1.0,0.24572510451648277,0.24930607908984992,0.6998749228976766,0.7228342814063464,0.4794350969775889
EOS-4-08030,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4F)n23)cc1Cl,JJTNDARRZVSLMQ-UHFFFAOYSA-N,4,1,0.473,37,832,454.828,3.525,5,0.418,0.68,1.0,0.7937084504146391,0.8142690699746419,0.7692670139126859,0.8020783359605236,0.7948307175656226
EOS-4-08031,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)nc1Cl,WHEKSICXWWVQMM-UHFFFAOYSA-N,4,1,0.422,24,379,458.841,3.61,5,0.29,0.6,1.0,0.6868960318004249,0.7473785210060997,0.4142707833596052,0.47704920841614695,0.5813986361455692
EOS-4-08032,Fc1cc(-c2nnc3cncc(OCc4ccc(Br)nc4)n23)ccc1-c1ncon1,YCKXTFALVNDNQH-UHFFFAOYSA-N,4,1,0.57,16,325,468.246,3.717,5,0.36,0.7,1.0,0.865199438009732,0.7242478240010966,0.632556027688301,0.5990679185799466,0.705267802069769
EOS-4-08033,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)cc2F)s1,MPDAUTJIFKOHJO-UHFFFAOYSA-N,4,1,0.462,4,526,456.413,3.405,5,0.371,0.65,1.0,0.7049551093139607,0.7562281543417175,0.4106983757110548,0.4174662463162223,0.5723369714207388
EOS-4-08034,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4F)n23)nc1,QZSXMNACNNEXBW-UHFFFAOYSA-N,4,1,0.468,90,683,428.374,2.585,4,0.475,0.76,1.0,0.5356555410869714,0.27989000068535397,0.7410903981906655,0.634877664313618,0.5478784010691522
EOS-4-08035,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5ccoc5)cc4F)n23)cc1Cl,BQLYRGYUIGDCGK-UHFFFAOYSA-N,4,1,0.341,96,648,448.845,4.265,5,0.441,0.78,1.0,0.3583630320060311,0.33492392570762797,0.7692755808375026,0.7622421355630183,0.556201168528545
EOS-4-08036,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cc1F,PUVROWKWVPXWGN-UHFFFAOYSA-N,4,1,0.529,35,981,427.443,3.712,5,0.408,0.68,1.0,0.8150743609074087,0.8331591391953944,0.5576811047906244,0.49533959289973273,0.67531354944829
EOS-4-08037,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)s4)n23)cc1F,AZMJSFOZQSRIPQ-UHFFFAOYSA-N,4,1,0.516,90,636,463.897,3.966,4,0.427,0.84,1.0,0.6989068603933932,0.5057741073264341,0.5276026317593037,0.532365841957371,0.5661623603591255
EOS-4-08038,COc1cc(-c2nnc3cncc(OCCc4cncnc4F)n23)ccc1-c1ccc(F)nn1,KYYXQJJAFOERPZ-UHFFFAOYSA-N,4,1,0.485,72,925,462.42,2.947,5,0.337,0.62,1.0,0.9244054554177232,0.7860324857789048,0.5377887053663217,0.4395089438695086,0.6719338976081146
EOS-4-08039,N#Cc1ccc(-c2nnc3cncc(Cc4cnc(CC5CC5)nc4)n23)c(Cl)n1,MIPZKAMYELZADE-UHFFFAOYSA-N,4,1,0.366,78,364,402.849,3.045,5,0.472,0.77,0.999,0.26972106092796927,0.3831985470495511,0.08272222602974437,0.28772873689260503,0.25584264272496743
EOS-4-08040,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)cc1,QEPVBBVCLWFSAF-UHFFFAOYSA-N,4,1,0.467,23,678,410.84,3.556,4,0.525,0.85,1.0,0.392510794325269,0.4344201905284079,0.7359759440751148,0.6607497772599548,0.5559141765471866
EOS-4-08041,Cc1cc(-c2nnc3cncc(OCc4c(F)cncc4F)n23)cc(-c2cccnn2)n1,RVZHURFSWKSTAW-UHFFFAOYSA-N,4,1,0.466,55,980,432.394,3.204,5,0.417,0.61,1.0,0.7354876293605648,0.57478925364951,0.590158316770612,0.5518641628401069,0.6130748406551985
EOS-4-08042,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1cnco1,IXSMARSXOVAODB-UHFFFAOYSA-N,4,1,0.517,97,83,436.378,3.707,5,0.372,0.71,1.0,0.7234768007675965,0.6665752861352888,0.7785449934891372,0.6607583441847714,0.7073388561441984
EOS-4-08043,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ccc(Br)cn3)n12,AQHPVBNBLWSUHP-UHFFFAOYSA-N,4,1,0.58,4,71,483.326,4.79,5,0.358,0.71,1.0,0.6898687547118086,0.7860410527037215,0.6700363237612227,0.6607669111095881,0.7016782605715852
EOS-4-08044,Fc1cc(-c2nnc(Cl)s2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,NATDSYFRHMDJQK-UHFFFAOYSA-N,4,1,0.488,72,208,475.296,4.125,5,0.374,0.61,1.0,0.7708176273045028,0.8401497498457954,0.46172297991912825,0.57460934822836,0.6618249263244466
EOS-4-08045,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)[nH]1,UJIWEGLQZPEIDF-UHFFFAOYSA-N,4,1,0.521,35,161,461.436,2.659,5,0.397,0.62,1.0,0.7445086011925159,0.6275872112946337,0.48947981632513193,0.4271811390583236,0.5721891919676513
EOS-4-08046,Fc1cnccc1COc1cncc2nnc(-c3ccc(F)c(-c4nncs4)c3)n12,KRVFUHVFZXTTHW-UHFFFAOYSA-N,4,1,0.53,16,772,423.408,3.562,5,0.427,0.76,1.0,0.8542423411692139,0.7860496196285381,0.7023935987937769,0.7066256596532109,0.762327804811185
EOS-4-08047,COc1cc(-c2ccccn2)ccc1-c1nnc2cncc(OCCc3ncccc3F)n12,IYPGLBYNTVHGTG-UHFFFAOYSA-N,4,1,0.495,11,275,442.454,4.018,5,0.376,0.75,1.0,0.7624220409841683,0.652131450894387,0.5712168460009595,0.49224693304091566,0.6195043177301076
EOS-4-08048,N#CCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)cc1,ZMOGTMAMSRQJAW-UHFFFAOYSA-N,4,1,0.602,90,636,399.389,2.885,4,0.49,0.75,1.0,0.9739565485573298,0.9652782537180453,0.7574617915153177,0.7011342608457268,0.8494577136591049
EOS-4-08049,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(Cl)c(F)c4)n23)cc1,LUPYZLZFGKBDMN-UHFFFAOYSA-N,4,1,0.467,23,678,410.84,3.556,4,0.525,0.86,1.0,0.3904033308203687,0.429751216503324,0.7359845109999315,0.6607754780344047,0.5542286340895072
EOS-4-08050,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cccc(Cl)n1,JJKYUGRXSOEWCF-UHFFFAOYSA-N,4,1,0.495,11,777,476.899,4.671,5,0.315,0.7,1.0,0.9382924405455417,0.8926992666712357,0.7125968062504283,0.6813018298951409,0.8062225858405867
EOS-4-08051,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccc(F)cn5)s4)n23)c(F)c1F,YJHHDTCGRUZUSU-UHFFFAOYSA-N,4,1,0.327,96,26,467.436,3.754,5,0.432,0.58,0.997,0.23764649441436503,0.3349324926324447,0.6091683229387979,0.5933109451031457,0.4437645637721883
EOS-4-08052,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(-c4ccnc(CO)n4)n23)c(F)c1,UWSBTGUBLRPVNN-UHFFFAOYSA-N,4,1,0.333,68,861,429.362,1.875,4,0.48,0.72,1.0,0.33967000205606196,0.42975978342814064,0.5712254129257761,0.4770577753409636,0.4544282434377356
EOS-4-08053,Fc1cc(F)nc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4Cl)n23)c1,RZEYYXCITUYSIS-UHFFFAOYSA-N,4,1,0.474,37,832,454.828,3.525,5,0.391,0.65,0.989,0.8047683503529574,0.8297752038928107,0.7206154478788294,0.7721626345007196,0.7818304091563293
EOS-4-08054,Fc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncco5)c4)n23)n1,HRGJNBRXRKYLCY-UHFFFAOYSA-N,4,1,0.506,24,199,408.328,2.488,5,0.404,0.58,1.0,0.6779864299910904,0.4872010143238983,0.32578301692824346,0.29387122198615584,0.446210420807347
EOS-4-08055,FC(F)c1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)cn2)n1,HJNBOVWUKHOCKM-UHFFFAOYSA-N,4,1,0.5,65,981,447.409,2.992,5,0.371,0.62,1.0,0.7964070317318895,0.790333082036872,0.46515831677061203,0.36693852374751557,0.6047092385717223
EOS-4-08056,COCc1cc(-c2nnc3cncc(OCc4ncc(F)cn4)n23)ccc1Cl,UCZWELBEJAOYOV-UHFFFAOYSA-N,4,1,0.532,90,555,400.801,3.099,4,0.491,0.74,1.0,0.8283530943732438,0.9184942772942225,0.664536358028922,0.6494414365019533,0.7652062915495854
EOS-4-08057,OCCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ncccn1,WDDYYASLTLYQQB-UHFFFAOYSA-N,4,1,0.368,85,920,444.43,2.291,5,0.377,0.62,1.0,0.47268007675964635,0.43872078678637516,0.210078130354328,0.20243643341786033,0.33097885682955247
EOS-4-08058,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,AYBSCFFUOHDZPH-UHFFFAOYSA-N,4,1,0.72,11,56,418.457,4.07,5,0.414,0.76,1.0,0.7563309574395175,0.8436193543965458,0.5805719279007607,0.577650606538277,0.6895432115687753
EOS-4-08060,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)cc5Cl)n34)cn2)s1,HJCOZLZMRPNZTM-UHFFFAOYSA-N,4,1,0.506,59,109,452.902,4.99,5,0.374,0.68,1.0,0.7563395243643342,0.8533513809882805,0.7509509286546501,0.762250702487835,0.7807231341237749
EOS-4-08061,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,SUVNULKXIOSUHA-UHFFFAOYSA-N,4,1,0.484,37,6,439.361,2.405,5,0.428,0.61,1.0,0.7907614282777055,0.7983859913645398,0.5712339798505929,0.6051504351997807,0.6913829586731547
EOS-4-08063,Fc1cc(-c2cn[nH]c2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,KVMGZRIRFXWTBB-UHFFFAOYSA-N,4,1,0.489,37,563,436.838,3.385,5,0.406,0.66,1.0,0.8126499211842917,0.8651651703104654,0.5838873278048112,0.6174011376876156,0.7197758892467959
EOS-4-08064,N#CCNC(=O)c1ccc(-c2cncc3nnc(-c4ncncc4-c4cccc(F)c4)n23)cc1F,MLMXKDUWPAFFMH-UHFFFAOYSA-N,4,1,0.301,96,648,468.427,3.447,5,0.392,0.84,0.995,0.24043931190459872,0.27471557809608665,0.7256099650469467,0.7390514700842985,0.4949540812829827
EOS-4-08065,Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5cc(F)ccn5)c4)n23)co1,CRVQRBNJPQOIGM-UHFFFAOYSA-N,4,1,0.541,4,92,420.379,4.007,5,0.424,0.67,1.0,0.7382633130011651,0.6418254403399356,0.7308272222602974,0.6983585772051264,0.7023186382016311
EOS-4-08066,COCCCOc1cc(F)c(-c2nnc3cncc(-c4ccc(-c5cnco5)cc4)n23)cn1,KVVBSZMWGHJBCQ-UHFFFAOYSA-N,4,1,0.323,96,478,446.442,4.063,5,0.329,0.73,1.0,0.5356641080117881,0.48720958124871494,0.5102717428551847,0.46175724761839493,0.4987256699335207
EOS-4-08067,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1c[nH]cn1,AOJPBGGOTUZFHC-UHFFFAOYSA-N,4,1,0.511,15,777,431.431,3.346,5,0.394,0.64,1.0,0.8608645740524982,0.632453224590501,0.5901668836954287,0.4617658145432116,0.6363126242204099
EOS-4-08068,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3cncnc3)n12,HIERLTKFGSVBIY-UHFFFAOYSA-N,4,1,0.512,65,361,419.445,3.465,5,0.389,0.68,1.0,0.7766431361798369,0.764520937564252,0.3893238982934686,0.3894952367898019,0.5799958022068399
EOS-4-08070,N#Cc1ccccc1COc1cncc2nnc(-c3cc(F)cc(-c4cnns4)c3)n12,HSXUCIQKPIZIRT-UHFFFAOYSA-N,4,1,0.524,43,439,429.44,3.9,5,0.417,0.7,1.0,0.5512302104036735,0.6139486669864985,0.8022239736824069,0.7999451716811733,0.6918370056884381
EOS-4-08071,COc1cncc2nnc(-c3ccc(-c4cnc(C(C)(C)O)nc4F)cc3F)n12,DGDJOVAEAQMPGR-UHFFFAOYSA-N,4,1,0.459,90,555,398.373,2.763,4,0.528,0.77,1.0,0.7852528956205881,0.7816547871975875,0.6210420807346995,0.4043331505722706,0.6480707285312863
EOS-4-08073,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)n1,JKDIRCQLHSZKAN-UHFFFAOYSA-N,4,1,0.484,87,143,453.89,4.119,5,0.282,0.65,1.0,0.7652062915495854,0.8221078061818929,0.41816016722637245,0.47109519566856284,0.6191423651566034
EOS-4-08074,Cn1cncc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)nc1,HQFJYDSYSUIMCZ-UHFFFAOYSA-N,4,1,0.444,46,445,437.385,3.583,5,0.391,0.69,0.913,0.7205126447810294,0.5995305325200466,0.8921167157837023,0.8587485436227812,0.7677271091768899
EOS-4-08075,N#Cc1cccc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)nc2)c1,DNRLOVUQKPZITJ-UHFFFAOYSA-N,4,1,0.404,46,969,440.854,3.747,5,0.406,0.78,1.0,0.7171886779521623,0.8142776368994585,0.6356058529230347,0.6843516551298746,0.7128559557261326
EOS-4-08076,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c(F)c1,CMZIOHOXXFYHDO-UHFFFAOYSA-N,4,1,0.506,36,712,438.373,2.978,5,0.389,0.7,1.0,0.6240233705708998,0.6958570351586595,0.6672863408950723,0.6637567678706051,0.6627308786238092
EOS-4-08077,OCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)c5)n34)cc2F)s1,MFAJKMVIZCQHDO-UHFFFAOYSA-N,4,1,0.663,91,629,466.473,3.702,5,0.391,0.75,1.0,0.7766517031046536,0.8103796861078747,0.557689671715441,0.6019635391679803,0.6866711500239875
EOS-4-08078,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccc(F)cc5F)nn4)n23)cc1F,IPFYUMKBKHRLCW-UHFFFAOYSA-N,4,1,0.31,22,997,464.411,3.206,5,0.429,0.8,1.0,0.11631313823589884,0.22893393187581385,0.6181464601466657,0.6288294153930505,0.39805573641285724
EOS-4-08079,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)cc1,SCPNCHSSUVYIQN-UHFFFAOYSA-N,4,1,0.388,74,914,428.387,2.674,5,0.452,0.85,1.0,0.504977383318484,0.46070351586594477,0.37836680145295043,0.2612226715098348,0.4013175930368035
EOS-4-08080,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)cc1F,NPYHOSYOROCNDM-UHFFFAOYSA-N,4,1,0.511,62,504,484.466,4.348,5,0.386,0.88,1.0,0.3274278664930437,0.36903742032759923,0.7893136179836886,0.6956599958878761,0.5453597251730519
EOS-4-08081,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccccc1,CZUULFXLJDXFBL-UHFFFAOYSA-N,4,1,0.557,79,955,457.921,5.137,5,0.337,0.72,1.0,0.9204561030772394,0.862517990542115,0.759800561990268,0.7337399766979645,0.8191286580768967
EOS-4-08082,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cnc(Cl)c(F)c5)n34)cc2)s1,UCRDYDHQTYVKKJ-UHFFFAOYSA-N,4,1,0.573,97,91,452.902,4.99,5,0.349,0.76,1.0,0.8994585703515866,0.8067558769104243,0.7785535604139538,0.7494174491124665,0.8085463641971078
EOS-4-08083,Cc1nc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)ccc1-c1nc[nH]n1,ZHWWGXVEQDPLQE-UHFFFAOYSA-N,4,1,0.426,47,445,438.373,3.276,5,0.42,0.61,0.936,0.717197244876979,0.6618035090124049,0.7282828455897471,0.7011428277705435,0.7021066068124187
EOS-4-08084,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnnnc5)cnn4)n23)ccc1Cl,WKLYSUKSPNLXBN-UHFFFAOYSA-N,4,1,0.489,36,534,442.83,2.537,5,0.398,0.57,1.0,0.7080906037968611,0.9087279830032212,0.6181550270714824,0.6319820437255843,0.7167389143992872
EOS-4-08085,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)nn2)n1,XQAYGQGNTDUGTO-UHFFFAOYSA-N,4,1,0.404,54,411,448.849,3.718,5,0.4,0.76,1.0,0.7505568501130834,0.7197673223219793,0.45490370776506067,0.5186758961003358,0.6109759440751148
EOS-4-08086,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)c1,XPLAQSRNGFGPCL-UHFFFAOYSA-N,4,1,0.548,97,31,428.452,4.505,5,0.383,0.7,1.0,0.6045164827633472,0.6275957782194503,0.8536169556575971,0.8391559865670619,0.7312213008018642
EOS-4-08087,Fc1cnc(-c2ccc(Cc3nnc4cncc(OCc5nnc6ccc(F)cn56)n34)cc2)nc1,KRIKZQZOEZKIJJ-UHFFFAOYSA-N,4,1,0.333,73,82,471.431,3.072,6,0.365,0.64,1.0,0.38591426221643477,0.2542149270098006,0.34811698992529644,0.41117812350078814,0.34985607566307997
EOS-4-08088,N#Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1cn[nH]c1,WLDYGUKRJMICBB-UHFFFAOYSA-N,4,1,0.473,4,702,437.398,3.038,5,0.442,0.59,1.0,0.7823572750325544,0.7429579878006991,0.8215338222191763,0.769832430950586,0.7791703790007539
EOS-4-08089,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)nc5)n34)cn2)nnc1Cl,CRVLOBYTLOYOMW-UHFFFAOYSA-N,4,1,0.483,55,283,448.849,3.718,5,0.375,0.67,1.0,0.8205571927900761,0.8026694537728737,0.5643975738468919,0.5518727297649236,0.6848742375436913
EOS-4-08090,COc1cc(-c2nnc3cncc(OC4CCC(c5cccc(F)c5)C4)n23)ccc1-c1cncs1,SWOSQKRJWWQAQH-UHFFFAOYSA-N,4,1,0.438,91,955,487.56,5.778,6,0.302,0.42,1.0,0.8205657597148928,0.8026780206976903,0.7646323075868686,0.7673137550544856,0.7887974607634843
EOS-4-08091,CCc1cnc(COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cn1,YUWDATWXVPKFLV-UHFFFAOYSA-N,4,1,0.712,68,305,398.373,3.324,4,0.472,0.8,1.0,0.7563480912891508,0.7903416489616887,0.6836063326708245,0.5683126584881091,0.6996521828524432
EOS-4-08092,Fc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,CLJYLOKMWLVICS-UHFFFAOYSA-N,4,1,0.5,2,904,414.404,2.799,5,0.418,0.69,1.0,0.7264923583030636,0.6811047906243575,0.4894883832499486,0.4711037625933795,0.5920473236926873
EOS-4-08094,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1ncc[nH]1,CCNOSBZLSJPEDM-UHFFFAOYSA-N,4,1,0.458,4,702,442.414,3.175,5,0.425,0.62,1.0,0.7326005756973477,0.7336543074497979,0.6389383866767185,0.4891371393324652,0.6485826022890823
EOS-4-08095,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)cn1,ZSSHSKUWZHDMKG-UHFFFAOYSA-N,4,1,0.46,55,85,414.404,3.065,5,0.432,0.79,1.0,0.7964155986567062,0.7336628743746145,0.47907100267288055,0.40434171749708725,0.6033727983003221
EOS-4-08096,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ncccc3F)n12,YDBGGMXJCIOYMH-UHFFFAOYSA-N,4,1,0.524,35,699,436.447,4.21,5,0.397,0.66,1.0,0.804776917277774,0.8501559180316633,0.6757333287643068,0.6956685628126927,0.7565836817216092
EOS-4-08097,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3Cl)n12,ALQITLHYIFWYGF-UHFFFAOYSA-N,4,1,0.463,87,143,487.347,5.377,5,0.3,0.62,1.0,0.782365841957371,0.8563326708244808,0.7282914125145638,0.8171646905626756,0.7960386539647728
EOS-4-08098,N#Cc1ncc(COc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)cn1,HSFSUJGDPQGMHU-UHFFFAOYSA-N,4,1,0.55,90,555,393.794,2.178,4,0.547,0.77,1.0,0.8798831471455006,0.920310465355356,0.6782605715852238,0.64945000342677,0.7819760468782125
EOS-4-08099,Fc1ncccc1CCOc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,HFZMAAWDMFLIDR-UHFFFAOYSA-N,4,1,0.469,87,142,414.404,2.799,5,0.391,0.74,1.0,0.7652148584744021,0.6910852580357755,0.43289527791104104,0.4143650195325886,0.5758901034884518
EOS-4-08100,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)c(F)cn4)n23)ccc1F,NSXLNQCCDVSWQS-UHFFFAOYSA-N,4,1,0.5,73,911,453.84,4.097,5,0.398,0.67,1.0,0.7172058118017957,0.7517305188129669,0.8885100404358851,0.8829158385306011,0.8100905523953121
EOS-4-08101,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4F)n23)cc1F,BSFIISYARIKKEJ-UHFFFAOYSA-N,4,1,0.495,37,6,439.361,2.405,5,0.428,0.67,1.0,0.7852614625454047,0.8103882530326914,0.6210506476595161,0.6348862312384347,0.7128966486190118
EOS-4-08102,Fc1cc(-c2ccc(-c3nnc4cncc(OCc5csc(Cl)c5Cl)n34)nn2)ccn1,HYCITLROVAGIOA-UHFFFAOYSA-N,4,1,0.404,54,411,474.308,4.73,5,0.34,0.67,0.778,0.6354002467274347,0.6568004249194709,0.7484922212322664,0.8171732574874923,0.714466537591666
EOS-4-08103,Fc1cnccc1COc1cncc2nnc(-c3cc(Cl)nc(-c4nccs4)c3)n12,XFQDBMKCOGVFET-UHFFFAOYSA-N,4,1,0.477,24,912,439.863,4.076,5,0.381,0.69,0.981,0.7535124391748338,0.7288054280035638,0.5838958947296279,0.6174097046124323,0.6709058666301144
EOS-4-08104,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)ccn1,YQIBHRLIKVECNS-UHFFFAOYSA-N,4,1,0.376,14,487,423.408,3.562,5,0.399,0.7,1.0,0.489891028716332,0.6187889795079159,0.6564834487012542,0.6494585703515866,0.6036555068192722
EOS-4-08105,CCCc1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1cncs1,CIAQMGZMSCELRO-UHFFFAOYSA-N,4,1,0.372,13,724,484.919,5.986,5,0.295,0.63,0.984,0.6072493317798643,0.7152011513946953,0.672657802755123,0.7096497841134947,0.6761895175107944
EOS-4-08106,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncco5)n34)cc2Br)nc1,GWMXHTWZOMNODT-UHFFFAOYSA-N,4,1,0.642,37,141,482.273,3.759,5,0.361,0.66,1.0,0.9163439791652388,0.7562367212665342,0.3631348091289151,0.3734322527585498,0.6022869405798095
EOS-4-08107,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(-c5cccnc5)c4)n23)cc1)N1CCC1,MREFJESCJOOOLU-UHFFFAOYSA-N,4,1,0.388,62,376,466.932,5.02,6,0.371,0.87,1.0,0.22938797889109724,0.3640172023850319,0.20660852580357755,0.4862072510451648,0.3215552395312179
EOS-4-08108,COc1cc(-c2nnc3cncc(OCCCc4ccccc4F)n23)ccc1-c1nccs1,FGJFCGBBTXEIBJ-UHFFFAOYSA-N,4,1,0.562,91,955,461.522,5.074,5,0.3,0.78,1.0,0.8927849359194023,0.85016448495648,0.5966520457816462,0.5288362689329038,0.7171094338976081
EOS-4-08109,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(C5CC5)nc4C(F)F)n23)c(F)c1F,YZIMJOFGUAABTB-UHFFFAOYSA-N,4,1,0.315,68,129,445.38,3.565,5,0.475,0.69,0.996,0.1406003700911521,0.2905215543828387,0.5139812213008018,0.5617075594544583,0.3767026763073127
EOS-4-08110,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OC3CCOCC3F)n12,KWPUNBGUUNPKJG-UHFFFAOYSA-N,4,1,0.402,68,634,416.413,2.955,5,0.473,0.57,0.904,0.4536015351929272,0.4476046878212597,0.4329038448358577,0.480013364402714,0.45353085806318966
EOS-4-08111,Fc1cncc(COc2cncc3nnc(-c4cccc(-c5nncs5)c4)n23)c1F,LUHMXHOXYXKZBJ-UHFFFAOYSA-N,4,1,0.488,16,772,423.408,3.562,5,0.427,0.65,1.0,0.7445171681173326,0.6230296072921664,0.6863991501610582,0.6723579603865396,0.6815759714892742
EOS-4-08112,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cscn1,IPRPTFDBJYEKBM-UHFFFAOYSA-N,4,1,0.588,11,275,452.902,4.724,5,0.371,0.71,1.0,0.920464670002056,0.9148104996230553,0.717634158042629,0.757067712973751,0.8274942601603728
EOS-4-08113,N#Cc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)c1F,XWEGGTQSRCPXTM-UHFFFAOYSA-N,4,1,0.5,73,420,432.35,2.965,5,0.412,0.66,1.0,0.8231872387087931,0.5747978205743266,0.7598091289150847,0.7228428483311631,0.7201592591323418
EOS-4-08114,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(COc3cncc(Cl)c3)n12,SQEDCQHSSFJWCT-UHFFFAOYSA-N,4,1,0.367,24,767,439.863,4.076,5,0.381,0.68,1.0,0.5049859502433006,0.5902097183195121,0.4790795695976972,0.5386710986224384,0.528236584195737
EOS-4-08115,CNC(=O)c1ccc(-c2nnc3cncc(OCc4ncc(-c5cccc(F)c5)cn4)n23)cc1F,XDBFKLBRRPJZDE-UHFFFAOYSA-N,4,1,0.484,97,210,473.443,3.465,5,0.402,0.89,1.0,0.7080991707216777,0.46507264752244537,0.6450808717702693,0.5840929340004112,0.600586406003701
EOS-4-08116,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5nncs5)c(F)c4)n23)ccn1,OEJVUCGCUGWQRZ-UHFFFAOYSA-N,4,1,0.404,14,487,423.408,3.562,5,0.399,0.68,1.0,0.5255123021040368,0.6418340072647523,0.6592591323418545,0.6522685216914537,0.6197184908505242
EOS-4-08117,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1nncs1,ZNPIGGYEXGDIPL-UHFFFAOYSA-N,4,1,0.517,37,490,455.425,3.744,5,0.385,0.64,1.0,0.8836611609896512,0.8872164347885683,0.6726663696799396,0.6983671441299432,0.7854777773970256
EOS-4-08118,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ccc1-c1cnco1,RSBGJDVPVMJRKU-UHFFFAOYSA-N,4,1,0.532,35,103,450.405,3.75,5,0.37,0.63,1.0,0.8739805359468166,0.6714498663559728,0.7914810499623055,0.6784233431567405,0.7538336988554588
EOS-4-08119,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)c(Cl)c2)cs1,OFSBKDNFUTYEBU-UHFFFAOYSA-N,4,1,0.522,88,684,484.919,5.171,5,0.309,0.7,1.0,0.8520406414913303,0.9203190322801728,0.8143376053731752,0.8084092934000411,0.8487766431361798
EOS-4-08120,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)nc5)cn4)n23)cc1F,WBPBXFAQDFKMCC-UHFFFAOYSA-N,4,1,0.354,82,736,431.366,2.082,5,0.427,0.81,1.0,0.2430522239736824,0.21848228359947913,0.4329124117606744,0.39239085737783563,0.3217094441779179
EOS-4-08121,Cc1cc(Oc2cncc3nnc(-c4cc(-c5cnc(CO)cn5)ccn4)n23)ccc1F,ZGQKUBQSTYYRFK-UHFFFAOYSA-N,4,1,0.429,18,181,429.415,3.375,5,0.453,0.67,1.0,0.6045250496881639,0.5560362552258241,0.6210592145843328,0.5423548762936057,0.5809938489479816
EOS-4-08122,Cc1c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc(F)c1F,IYMJDIPAXNYQIB-UHFFFAOYSA-N,4,1,0.35,0,188,423.398,4.076,5,0.537,0.86,1.0,0.3421372764032623,0.4518624494551436,0.7738417517647865,0.8391645534918786,0.6017515077787678
EOS-4-08123,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5cnco5)c4)n23)ccc1F,HRXTYUCOJVCGKL-UHFFFAOYSA-N,4,1,0.523,75,43,414.36,2.826,5,0.426,0.69,1.0,0.720521211705846,0.623038174216983,0.5512644781029402,0.47111232951819615,0.5914840483859913
EOS-4-08124,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,HHVXHYTXKHXEGG-UHFFFAOYSA-N,4,1,0.62,35,0,418.457,4.07,5,0.414,0.73,1.0,0.7879600438626551,0.8595452676307312,0.5901754506202453,0.5648944554862586,0.7006438043999726
EOS-4-08125,Clc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,FDHGUQFUXBQGHL-UHFFFAOYSA-N,4,1,0.556,35,795,434.912,4.585,5,0.389,0.74,1.0,0.7081077376464944,0.8365002398738949,0.47908813652251386,0.5683212254129257,0.6480043348639571
EOS-4-08126,CNCc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccncc5F)n34)ccc2F)cn1,HMFWVYKRGNFULV-UHFFFAOYSA-N,4,1,0.516,35,161,473.487,3.867,5,0.366,0.71,1.0,0.7265009252278802,0.48721814817353165,0.80033925022274,0.7337485436227812,0.6869517168117333
EOS-4-08127,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,MIPJRWGEJFRCAI-UHFFFAOYSA-N,4,1,0.522,35,699,413.416,3.404,5,0.421,0.76,1.0,0.6748595024330066,0.8142862038242752,0.48625008566924816,0.4831402919607978,0.614634020971832
EOS-4-08128,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ncno4)cc3Cl)n12,PKZZEIBAAYILIK-UHFFFAOYSA-N,4,1,0.552,35,626,437.822,3.65,5,0.371,0.7,1.0,0.762430607908985,0.7983945582893565,0.6151309026111987,0.6378589541498184,0.7034537557398396
EOS-4-08129,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)ncc1F,SPEPTGCKDJLVTC-UHFFFAOYSA-N,4,1,0.521,65,904,446.421,3.246,5,0.392,0.7,1.0,0.8652080049345487,0.8711962853813995,0.45122849701871015,0.41118669042560485,0.6497048694400659
EOS-4-08131,N#Cc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCc4ncncc4F)n23)c1,QSQAYYRXWBIFGT-UHFFFAOYSA-N,4,1,0.442,4,875,425.387,2.628,5,0.417,0.64,0.999,0.7017853471317935,0.6230467411417997,0.590184017545062,0.5746179151531766,0.622408505242958
EOS-4-08132,CC(F)(F)c1ncc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cn1,AMBCZRUXTFYZQF-UHFFFAOYSA-N,4,1,0.482,68,811,404.768,2.715,4,0.5,0.74,1.0,0.4947484750873826,0.6090055513672812,0.49617915153176617,0.370022616681516,0.49248894866698645
EOS-4-08133,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(C#N)c4)n23)ccc1-c1cscn1,URYPBTFDXNMMIH-UHFFFAOYSA-N,4,1,0.364,14,257,457.494,4.546,5,0.399,0.78,1.0,0.3605475978342814,0.3107223631005414,0.8040915632924406,0.6930213830443424,0.5420957268179014
EOS-4-08134,COc1nccc(F)c1COc1cncc2nnc(-c3ccc(-c4cnccn4)nc3)n12,BGYYPEDYUOVQBI-UHFFFAOYSA-N,4,1,0.46,55,540,430.403,2.765,5,0.401,0.61,1.0,0.7505654170379,0.6714584332807896,0.3666643821533822,0.2642467959701186,0.5132337571105475
EOS-4-08135,Fc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1csnn1,BRIBYNNZLCVJSQ-UHFFFAOYSA-N,4,1,0.517,37,490,455.425,3.744,5,0.385,0.66,1.0,0.6869045987252416,0.7197758892467959,0.712605373175245,0.7441230895757659,0.7158522376807621
EOS-4-08136,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)n1,OJBKKTZXTMSFIE-UHFFFAOYSA-N,4,1,0.551,37,141,461.888,4.366,5,0.371,0.74,1.0,0.954612432321294,0.9525906380645603,0.6091768898636145,0.6145911863477486,0.7827427866493044
EOS-4-08137,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nc4Cl)n23)ncc1Cl,BUDYITVULPNLAT-UHFFFAOYSA-N,4,1,0.484,58,24,483.294,4.106,5,0.333,0.57,0.999,0.8584915358782811,0.8872250017133849,0.6062812692755808,0.6930299499691591,0.7612569392091014
EOS-4-08138,OCc1ccc(COc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)cn1,DDSWNHCETRBEMO-UHFFFAOYSA-N,4,1,0.535,55,143,434.456,3.52,5,0.408,0.73,1.0,0.6593362346652045,0.6090141182920978,0.5901925844698787,0.5155575354670687,0.5935251182235625
EOS-4-08139,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1-c1nc2ccncc2[nH]1,GQFVCWFFFJWOOU-UHFFFAOYSA-N,4,1,0.454,4,208,473.859,3.891,6,0.4,0.66,1.0,0.6130405729559317,0.6418425741895689,0.5776420396134604,0.631990610650401,0.6161289493523405
EOS-4-08140,COc1c(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4F)n23)ccnc1F,CIWRMUHCALXRIM-UHFFFAOYSA-N,4,1,0.473,58,262,462.42,2.947,5,0.337,0.7,1.0,0.8608731409773148,0.7816633541224042,0.3556644506887808,0.26733945582893565,0.5663851004043589
EOS-4-08141,Cc1cc(-c2cnc(F)c(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)n2)ccn1,RLZMXZBLSQAFOW-UHFFFAOYSA-N,4,1,0.43,55,390,448.849,3.718,5,0.375,0.59,0.998,0.6869131656500582,0.8221163731067096,0.4961877184565828,0.4922554999657323,0.6243681892947708
EOS-4-08142,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(COc3ccc(Cl)cn3)n12,FDLAVVMGOZORTH-UHFFFAOYSA-N,4,1,0.374,24,28,439.863,4.076,5,0.381,0.6,1.0,0.5615876225070249,0.6418511411143856,0.5069734768007675,0.5386796655472551,0.5622729764923583
EOS-4-08144,Fc1ncc(F)c(COc2cncc3nnc(-c4cncc(-c5ncco5)c4)n23)n1,XOMINJSNERYHFS-UHFFFAOYSA-N,4,1,0.451,2,422,408.328,2.488,5,0.404,0.65,1.0,0.6717925433486396,0.514623740662052,0.36667294907819886,0.33458981563977797,0.4719197621821671
EOS-4-08145,Fc1cc(F)nc(COc2cncc3nnc(-c4cnnc(-c5ncc(Cl)cn5)c4)n23)c1,IOSFWGSKOQXIEZ-UHFFFAOYSA-N,4,1,0.462,73,930,453.8,2.944,5,0.37,0.6,1.0,0.5408299636762388,0.6910938249605921,0.4721917620450963,0.5423634432184223,0.5616197484750874
EOS-4-08146,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)nnc1Cl,VLLCXOUFYJVMFL-UHFFFAOYSA-N,4,1,0.489,37,0,472.267,4.304,5,0.36,0.62,1.0,0.802275375231307,0.7903502158865053,0.6533736549928038,0.7494260160372832,0.7488563155369748
EOS-4-08148,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4cc(-c5ncon5)cnn4)n23)c1,NLMORDLXEMSNMM-UHFFFAOYSA-N,4,1,0.518,73,82,426.318,2.628,5,0.391,0.71,1.0,0.5870485230621616,0.6042080734699472,0.629617572476184,0.6466229182372696,0.6168742718113905
EOS-4-08149,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(F)c2)nc1,MWAKKIAUFUWEFO-UHFFFAOYSA-N,4,1,0.528,37,141,461.888,4.366,5,0.371,0.7,1.0,0.9431670207662257,0.947313412377493,0.6062898362003976,0.617418271537249,0.7785471352203414
EOS-4-08150,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5ncc(F)cc5Cl)n34)cn2)cn1,WAHYRACXGOWJIC-UHFFFAOYSA-N,4,1,0.466,7,85,448.849,3.718,5,0.4,0.69,1.0,0.6748680693578233,0.7731820985539031,0.5139897882256186,0.5155661023918854,0.6194015146323075
EOS-4-08151,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5F)n34)cn2)n1,VLLOYWCRZATKLY-UHFFFAOYSA-N,4,1,0.505,65,262,446.421,3.246,5,0.366,0.67,1.0,0.8381022548146118,0.8595538345555479,0.4825748749228977,0.41437358645740524,0.6486511376876156
EOS-4-08152,Cc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)cc(-c2cccnc2F)n1,MLIIQNZRGBKANW-UHFFFAOYSA-N,4,1,0.484,4,208,466.839,3.857,5,0.36,0.63,1.0,0.6015094921526969,0.7059917072167775,0.6389469536015352,0.6466314851620862,0.648269909533274
EOS-4-08153,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ncccc3F)n12,LBFACLPLCWSGPR-UHFFFAOYSA-N,4,1,0.524,35,699,436.447,4.21,5,0.397,0.7,1.0,0.729653553560414,0.7645295044890686,0.7049294085395107,0.7280601055445137,0.7317931430333767
EOS-4-08154,Fc1ncc(F)c(COc2cncc3nnc(-c4cccc(-c5nccs5)c4)n23)n1,XGCRZNWJTOVAKS-UHFFFAOYSA-N,4,1,0.494,4,666,423.408,3.562,5,0.399,0.69,1.0,0.6354088136522514,0.6042166403947639,0.4651668836954287,0.4490696319649099,0.5384654924268385
EOS-4-08155,Fc1cc(F)nc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,KQXJAAUZHUCXSI-UHFFFAOYSA-N,4,1,0.542,75,183,422.42,4.167,5,0.396,0.78,1.0,0.5512387773284901,0.5748063874991433,0.7436776094852992,0.7309642930573641,0.6501717668425742
EOS-4-08156,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1ccc(C(F)F)nn1,QJKRDOCHSYWYOT-UHFFFAOYSA-N,4,1,0.505,4,224,495.877,4.822,5,0.317,0.59,1.0,0.7964241655815228,0.8365088067987115,0.8564868754711809,0.7721712014255363,0.8153977623192379
EOS-4-08157,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cnsn5)nc4F)n23)cc1F,FOSILKMCKHQYEW-UHFFFAOYSA-N,4,1,0.462,55,62,449.406,2.829,5,0.372,0.59,1.0,0.8075697347680076,0.7105921458433281,0.5139983551504352,0.49226406689054897,0.6311060756630801
EOS-4-08158,Fc1cccnc1CCOc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,JCFDZWOUUZCPRH-UHFFFAOYSA-N,4,1,0.534,75,699,413.416,3.404,5,0.421,0.74,1.0,0.7382718799259818,0.7689928723185525,0.4790967034473305,0.4800219313275307,0.6165958467548489
EOS-4-08159,N#Cc1cc(-c2nnc3cncc(OCCc4ccc(C#Cc5ccncc5)nn4)n23)ccc1Cl,WFORVSGJIOIDFH-UHFFFAOYSA-N,4,1,0.506,15,132,478.903,3.523,5,0.352,0.67,1.0,0.8561270646288808,0.9439123432252758,0.7574703584401343,0.7494345829621,0.8267360873140976
EOS-4-08160,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5F)n34)cn2)cn1,IPYDYVVVIIYHOZ-UHFFFAOYSA-N,4,1,0.521,65,981,462.876,3.761,5,0.351,0.61,1.0,0.8449129600438626,0.9127201699677884,0.5377972722911384,0.5120793639915016,0.7018774415735727
EOS-4-08162,Cn1c(-c2cc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cc(Cl)n2)n[nH]c1=O,FQJGAOMCFAATMF-UHFFFAOYSA-N,4,1,0.607,59,294,470.827,2.786,5,0.393,0.56,0.965,0.6989154273182099,0.5902182852443287,0.5444794736481393,0.6288379823178671,0.6156127921321363
EOS-4-08163,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccc(F)c(F)c5)n34)cn2)cs1,ZLLVUZDINWOENS-UHFFFAOYSA-N,4,1,0.658,59,294,436.447,4.475,5,0.404,0.77,1.0,0.8542509080940306,0.8365173737235282,0.7598176958399013,0.717608457268179,0.7920486087314098
EOS-4-08164,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4Cl)n23)cc1C#N,UOMQTXFAQWZPRM-UHFFFAOYSA-N,4,1,0.512,16,332,459.872,4.435,5,0.386,0.71,1.0,0.8696542389143993,0.8297837708176273,0.8908231101363855,0.8884929065862518,0.8696885066136659
EOS-4-08165,Fc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4cccnn4)c3)n12,KGJVSSACABHXDG-UHFFFAOYSA-N,4,1,0.506,53,778,415.392,2.194,5,0.411,0.56,1.0,0.7326091426221644,0.6521400178192036,0.30387739017202386,0.3157597148927421,0.5010965663765335
EOS-4-08167,Cn1ccnc1-c1ccnc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)c1,SDSSCOJLWYPKQX-UHFFFAOYSA-N,4,1,0.449,46,445,437.385,3.583,5,0.391,0.66,1.0,0.6072578987046809,0.509903365088068,0.8486995408128298,0.8171818244123089,0.6957606572544719
EOS-4-08168,FCc1cc(-c2ccc(-c3nnc4cncc(OCCCOCc5ccccc5)n34)cn2)ccn1,JXLFAXGUFVCTMV-UHFFFAOYSA-N,4,1,0.49,1,56,470.508,4.704,5,0.273,0.81,1.0,0.4973356863820163,0.4207730792954561,0.5276111986841203,0.4953481598245494,0.48526703104653557
EOS-4-08169,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4Cl)n23)n1,LRFYSMKGUBVNDQ-UHFFFAOYSA-N,4,1,0.506,11,0,453.289,4.77,5,0.342,0.58,1.0,0.8022839421561236,0.7773284901651704,0.6944948941128093,0.7673223219793023,0.7603574121033514
EOS-4-08170,Fc1c(Cl)cncc1COc1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12,JUDSAEIVWRMCKV-UHFFFAOYSA-N,4,1,0.476,55,564,439.863,4.076,5,0.407,0.59,1.0,0.7652234253992187,0.7984031252141731,0.6151394695360154,0.6378675210746351,0.7041583853060106
EOS-4-08171,N#Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)nc(F)n5)n34)cnn2)cn1,WDNGFQPSBOZXQA-UHFFFAOYSA-N,4,1,0.432,7,185,445.353,1.557,5,0.286,0.49,1.0,0.5930882050579124,0.5854036734973613,0.3257915838530601,0.3064303337673909,0.4526784490439311
EOS-4-08172,COc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,GTIOVEBBTDHFBM-UHFFFAOYSA-N,4,1,0.551,35,729,443.442,3.413,5,0.353,0.66,1.0,0.7563566582139675,0.6324617915153177,0.6645449249537386,0.5454218353779727,0.6496963025152491
EOS-4-08173,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(Cl)cc4F)n23)cc1,JOWWBNZUXSLLSD-UHFFFAOYSA-N,4,1,0.43,48,678,424.867,3.946,4,0.489,0.88,1.0,0.3719930093893496,0.3879103556987184,0.6356144198478514,0.5714395860461928,0.491739342745528
EOS-4-08174,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nc3)n12,LLVCAPMOWZHCKH-UHFFFAOYSA-N,4,1,0.5,24,28,439.863,4.076,5,0.381,0.6,1.0,0.7681704475361524,0.7860581865533548,0.5175964635734357,0.5454304023027894,0.6543138749914331
EOS-4-08175,Cn1ccnc1-c1cc(F)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,JGCVTCPTTIHXIG-UHFFFAOYSA-N,4,1,0.554,73,439,437.385,3.583,5,0.391,0.66,1.0,0.5049945171681174,0.5327941881982043,0.7933486395723391,0.7698409978754026,0.6502445857035158
EOS-4-08176,Clc1ccc(-c2nnc3cncc(OCCc4cccc(Oc5ccccc5)n4)n23)cn1,XUBPYJCMNVTJCA-UHFFFAOYSA-N,4,1,0.495,79,881,444.882,4.649,5,0.338,0.68,0.994,0.7234853676924131,0.9148190665478719,0.5547854842025907,0.5585634980467411,0.6879133541224042
EOS-4-08177,CCc1nc(-c2nnc3cncc(OCc4cncc(F)c4F)n23)ccc1-c1ccc(C#N)nc1,QCEPORVYYSVUHQ-UHFFFAOYSA-N,4,1,0.39,46,717,470.443,3.935,5,0.367,0.6,0.995,0.7049636762387773,0.6230553080666164,0.7383746830237817,0.6813103968199575,0.6869260160372833
EOS-4-08178,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(OCC(F)F)c(F)c4)n23)nc1,UZEFTPFCBOQPPB-UHFFFAOYSA-N,4,1,0.33,68,457,429.362,2.391,4,0.502,0.73,0.998,0.4603865396477281,0.4387293537111918,0.615148036460832,0.44273867452539234,0.48925065108628607
EOS-4-08183,Cc1cccc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)c2)n1,NCRGXFUDGWIAKL-UHFFFAOYSA-N,4,1,0.568,11,275,426.455,4.317,5,0.402,0.85,1.0,0.8427026934411623,0.8927078335960523,0.6120468096771983,0.5683297923377424,0.7289467822630389
EOS-4-08184,Clc1cnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2Cl)nc1,RYCWQUAGTIEWST-UHFFFAOYSA-N,4,1,0.518,73,82,485.722,4.578,5,0.356,0.64,1.0,0.7991227468987732,0.8501730518812967,0.635622986772668,0.7597405935165513,0.7611648447673223
EOS-4-08185,Fc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,VZKOGPIGPAEVPF-UHFFFAOYSA-N,4,1,0.461,53,208,435.81,2.805,5,0.384,0.59,0.999,0.6384329381125351,0.7382975807004317,0.31853539853334245,0.37344081968336645,0.5171766842574189
EOS-4-08187,Clc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3ccsc3)n12,RSYJZQOLPVDICX-UHFFFAOYSA-N,4,1,0.532,35,143,434.912,4.585,5,0.364,0.77,1.0,0.7017939140566103,0.7860667534781715,0.527619765608937,0.5714481529710095,0.6467321465286819
EOS-4-08188,COc1cc(-c2nnc3cncc(CNc4cc(F)cc(C#N)c4)n23)ccc1-c1cnco1,FCKGJEXXEWKPAK-UHFFFAOYSA-N,4,1,0.358,14,257,441.426,4.078,5,0.419,0.79,1.0,0.510006168185868,0.41636111301487216,0.8234271126036597,0.715029812898362,0.6162060516756904
EOS-4-08189,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5cncnc5)cnn4)n23)ccc1Cl,RZFTZHQIBMQTKE-UHFFFAOYSA-N,4,1,0.473,16,817,441.842,3.142,5,0.404,0.64,1.0,0.662625933794805,0.8846206565691179,0.6998834898224933,0.7066342265780275,0.7384410766911109
EOS-4-08190,Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5(C)CC5)cc4F)n23)ccc1Cl,VHAUMTLZPKYHEO-UHFFFAOYSA-N,4,1,0.356,0,999,435.89,4.842,5,0.497,0.81,0.999,0.40974744705640465,0.4737509423617298,0.5966606127064629,0.7441316565005826,0.556072664656295
EOS-4-08191,FC(F)c1ncc(COc2cncc3nnc(-c4ccnc(-c5ccnnc5)c4)n23)nn1,MGXIADVXFBUPJI-UHFFFAOYSA-N,4,1,0.446,92,587,434.37,2.345,5,0.392,0.62,1.0,0.42579329723802345,0.46951031457747927,0.28213453498732094,0.2345624014803646,0.3530001370707971
EOS-4-08193,Fc1ccc(-c2nnc3cncc(OCCc4ccnnc4F)n23)cc1-c1cscn1,QABRVZOQXMMGJQ-UHFFFAOYSA-N,4,1,0.553,37,595,437.435,3.605,5,0.401,0.62,1.0,0.9121033513809883,0.8897950791583853,0.6030344047700638,0.6145997532725653,0.7548831471455006
EOS-4-08194,COc1ccc(-c2nnc3cncc(OCc4ccnc(Cl)n4)n23)cc1-c1ccc(F)nn1,YPMLLKDMQQEYJI-UHFFFAOYSA-N,4,1,0.485,4,224,464.848,3.418,5,0.349,0.7,1.0,0.7766602700294702,0.7731906654787197,0.544488040572956,0.46177438146802824,0.6390283393872936
EOS-4-08195,N#Cc1ncc(-c2nnc3cncc(OCc4ccc(-c5nc[nH]n5)c(F)c4)n23)cn1,FTUJDRANDRGLGM-UHFFFAOYSA-N,4,1,0.523,47,164,414.364,1.956,5,0.456,0.67,1.0,0.7624391748338016,0.6665838530601056,0.4257076279898568,0.3828216023576177,0.5593880645603454
EOS-4-08196,Cn1cnnc1-c1ccc(Nc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)c(F)c1,CYNVKINGNAOPKA-UHFFFAOYSA-N,4,1,0.457,61,252,445.849,3.995,5,0.445,0.76,1.0,0.06743883215680899,0.26440956754163525,0.7832054005894045,0.7907699952025221,0.4764559488725927
EOS-4-08197,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)cc1F,UQFBMUFWBFSUTB-UHFFFAOYSA-N,4,1,0.536,4,353,437.385,3.583,5,0.391,0.67,1.0,0.7505739839627168,0.7860753204029881,0.8104225207319581,0.7673308889041189,0.7786006785004455
EOS-4-08198,Cc1cnc(COc2cncc3nnc(-c4cc(-c5cc(F)ccn5)cnc4Cl)n23)cn1,DDASEMYDKNQXJV-UHFFFAOYSA-N,4,1,0.457,7,85,448.849,3.718,5,0.375,0.68,1.0,0.5959752587211294,0.6665924199849222,0.5240987595092865,0.5354927695154548,0.5805398019326982
EOS-4-08199,N#Cc1cc(-c2nnc3cncc(-c4cncc(CCO)n4)n23)ccc1Br,BZHDBKYDRQFYCE-UHFFFAOYSA-N,4,1,0.356,50,216,422.246,2.417,4,0.537,0.76,1.0,0.27246247686930297,0.45187101637996024,0.5069820437255843,0.5485658967856898,0.44497035844013433
EOS-4-08200,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c(F)c2)n1,KXDZAVKRECLIFI-UHFFFAOYSA-N,4,1,0.563,37,669,446.421,3.246,5,0.366,0.69,1.0,0.9075286135288877,0.9042474813241039,0.5241073264341032,0.4922726338153656,0.7070390137756152
EOS-4-08201,Fc1ccnc(F)c1COc1cncc2nnc(-c3ccc(-c4nccs4)c(Br)c3)n12,FIPLMFJTCKGODH-UHFFFAOYSA-N,4,1,0.506,59,89,501.316,4.93,5,0.318,0.67,1.0,0.8946782263038859,0.8533599479130971,0.8060533890754574,0.79995373860599,0.8385113254746076
EOS-4-08202,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)nc1,WHGYBPZRQDBUAH-UHFFFAOYSA-N,4,1,0.557,37,141,477.887,4.066,5,0.346,0.68,1.0,0.9537643067644438,0.9439209101500925,0.6210677815091494,0.5810431087656774,0.7749490267973408
EOS-4-08203,CCn1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2)cn1,LJCHSYSJQNICAD-UHFFFAOYSA-N,4,1,0.628,43,322,414.444,4.393,5,0.412,0.73,1.0,0.6045336166129806,0.5995390994448633,0.7485007881570831,0.7037129052155439,0.6640716023576176
EOS-4-08204,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)nc1Cl,VBTXYRKWOQEMPE-UHFFFAOYSA-N,4,1,0.524,24,28,457.853,4.215,5,0.365,0.64,0.999,0.6869217325748749,0.8258858200260435,0.6062984031252142,0.6408830786101021,0.6899972585840587
EOS-4-08205,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCCCO)c(F)c4)n23)c(F)c1F,JBUDRLGGKAGMED-UHFFFAOYSA-N,4,1,0.312,0,129,484.438,2.347,4,0.346,0.74,1.0,0.36977417586183264,0.3784953053252005,0.5745922143787267,0.4891457062572819,0.4530018504557604
EOS-4-08206,Cc1nc(-c2ccc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)cn2)cs1,QZNSUSDOXATAEI-UHFFFAOYSA-N,4,1,0.488,13,145,422.42,4.689,5,0.418,0.76,1.0,0.6412685902268521,0.7429665547255158,0.7206240148036461,0.7011513946953601,0.7015026386128436
EOS-4-08207,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)ncc1Cl,DTTVURXPDQWIED-UHFFFAOYSA-N,4,1,0.505,47,164,454.828,3.525,5,0.418,0.61,1.0,0.9135597285998218,0.8794033993557673,0.7230141868274964,0.7544976355287506,0.817618737577959
EOS-4-08208,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cnc(F)cn1,DNKWTOMLPRBAGE-UHFFFAOYSA-N,4,1,0.5,35,777,461.432,3.552,5,0.363,0.62,1.0,0.9010605852923035,0.7860838873278048,0.6091854567884313,0.5186844630251525,0.703753598108423
EOS-4-08210,COc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1cnco1,JBNUXOKZDVYDKT-UHFFFAOYSA-N,4,1,0.532,35,103,466.86,4.264,5,0.35,0.64,1.0,0.8817421698307175,0.7517390857377836,0.7914896168871222,0.7203156055102461,0.7863216194914674
EOS-4-08211,Clc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cnsc1,OTIRCBSJJLWDCC-UHFFFAOYSA-N,4,1,0.566,97,256,426.914,4.604,5,0.408,0.65,1.0,0.7110204920841615,0.7197844561716127,0.5608508669727914,0.6319991775752176,0.6559137482009458
EOS-4-08212,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)c1F,IOOQQSGNBAUITQ-UHFFFAOYSA-N,4,1,0.541,35,922,436.447,4.21,5,0.397,0.62,1.0,0.8126584881091083,0.7903587828113221,0.7308357891851142,0.7365584949626482,0.7676028887670482
EOS-4-08213,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)c1,MDEPDNCOMVHJKG-UHFFFAOYSA-N,4,1,0.534,47,164,436.838,3.385,5,0.434,0.68,1.0,0.9010691522171201,0.8712048523062161,0.6091940237132479,0.6522770886162703,0.7584362792132135
EOS-4-08215,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cc1OC(F)F,VALOMOPQWBJNJJ-UHFFFAOYSA-N,4,1,0.44,0,21,478.459,3.395,5,0.454,0.91,1.0,0.2943081351518059,0.2184908505242958,0.09238571722294565,0.19392947707490918,0.19977854499348913
EOS-4-08216,Cn1cncc1-c1ccc(-c2nnc3cncc(OCC4Oc5cccc(Cl)c5O4)n23)cc1F,GNBHQXDUONBEPF-UHFFFAOYSA-N,4,1,0.457,88,70,478.871,4.161,6,0.374,0.54,1.0,0.9027311356315537,0.8501816188061133,0.9164039476389555,0.8786409430470838,0.8869894112809266
EOS-4-08217,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1)N1CCC(F)(F)CC1,HMBIBCXZDMJCCM-UHFFFAOYSA-N,4,1,0.389,78,345,469.883,3.697,5,0.423,0.74,0.991,0.10817455966006442,0.22381947776026317,0.0717993968884929,0.3157682818175588,0.17989042903159483
EOS-4-08218,Fc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5)n34)c(F)c2)s1,KNMVDKAZDCTJMW-UHFFFAOYSA-N,4,1,0.625,37,386,437.435,3.605,5,0.401,0.71,1.0,0.8381108217394284,0.8470118566239463,0.5176050304982523,0.5120879309163183,0.6787039099444864
EOS-4-08219,Fc1cc(F)nc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)cc4)n23)c1,FTWFEGXAVZCVGV-UHFFFAOYSA-N,4,1,0.552,11,275,420.379,3.741,5,0.387,0.74,1.0,0.9204732369268728,0.8258943869508601,0.69989205674731,0.6813189637447742,0.7818946610924543
EOS-4-08220,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(F)c2)n1,HGDORZJRBZCUSG-UHFFFAOYSA-N,4,1,0.533,37,141,461.888,4.366,5,0.371,0.71,1.0,0.9440665478719759,0.9483585772051264,0.6063069700500309,0.6083116304571311,0.7767609313960661
EOS-4-08221,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nc1F,WOZPWASXNUCNJH-UHFFFAOYSA-N,4,1,0.57,11,275,436.447,4.21,5,0.371,0.62,1.0,0.9190939620313893,0.9017887739017202,0.694503461037626,0.6723665273113563,0.7969381810705228
EOS-4-08223,FCc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)cc(-c2nccs2)n1,ZWVRRAZBWKDGPA-UHFFFAOYSA-N,4,1,0.517,24,486,455.425,4.032,5,0.357,0.67,0.999,0.6240319374957165,0.6373021040367349,0.5512730450277569,0.542372010143239,0.5887447741758618
EOS-4-08224,Cc1cnc(-c2nnc3cncc(-c4ccc(OC5CCC(F)(F)C5)cn4)n23)cn1,HBDQSIWSAQRSCB-UHFFFAOYSA-N,4,1,0.286,63,108,409.4,3.518,5,0.509,0.49,0.997,0.43467719827290796,0.4607120827907614,0.4549122746898773,0.5218799259817696,0.4680453704338291
EOS-4-08225,Fc1cc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)cnc1F,AIOGSKRPWNHQLP-UHFFFAOYSA-N,4,1,0.506,24,912,423.408,3.562,5,0.399,0.65,1.0,0.7382804468507984,0.6090226852169145,0.6030429716948804,0.5585720649715578,0.6272295421835378
EOS-4-08226,Cc1nc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,HTICULGYIHKMTN-UHFFFAOYSA-N,4,1,0.512,35,393,427.443,3.712,5,0.382,0.78,1.0,0.7852700294702214,0.7562452881913508,0.47910527037214723,0.43347782879857444,0.6135246042080735
EOS-4-08227,COc1cc(-c2nnc3cncc(OCc4cc(F)c(F)cn4)n23)ccc1-c1cocn1,JITSSVDUJUODRT-UHFFFAOYSA-N,4,1,0.523,97,383,436.378,3.707,5,0.397,0.7,1.0,0.8449215269686793,0.6762302104036735,0.8003478171475568,0.6843602220546913,0.7514649441436502
EOS-4-08228,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ccsc1,XKHJFZIXNVBPPB-UHFFFAOYSA-N,4,1,0.398,14,103,433.468,4.642,5,0.363,0.73,1.0,0.6045421835377973,0.5699575080529093,0.7980090466726064,0.6983757110547598,0.6677211123295183
EOS-4-08229,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5F)n34)cc2F)n[nH]1,WLNBSMFBVDCVKX-UHFFFAOYSA-N,4,1,0.533,47,265,452.4,3.319,5,0.421,0.63,1.0,0.887404907134535,0.8181413199917758,0.6782691385100404,0.6607840449592214,0.7611498526488931
EOS-4-08231,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)c(Cl)c2F)n1,GSMWDCKQCHQNED-UHFFFAOYSA-N,4,1,0.466,4,208,483.294,4.372,5,0.363,0.61,1.0,0.7591751764786512,0.847020423548763,0.6296261394010007,0.6753306832979233,0.7277881056815845
EOS-4-08232,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1nc[nH]n1,LAQZSEYNJWSPPW-UHFFFAOYSA-N,4,1,0.551,47,164,420.383,2.871,5,0.421,0.61,1.0,0.9307621136316908,0.8331677061202111,0.5869971215132616,0.5746264820779933,0.7313883558357892
EOS-4-08234,CCCCNCCc1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1,YZOBVLHYCXHTRF-UHFFFAOYSA-N,4,1,0.54,63,536,436.947,4.351,4,0.372,0.85,1.0,0.5383284216297718,0.4783942156123638,0.2348793776985813,0.28191179494208757,0.3833784524707011
EOS-4-08235,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)cc1,KKWVAXSHAQOCHC-UHFFFAOYSA-N,4,1,0.639,91,309,442.87,3.723,5,0.425,0.73,1.0,0.9652953875676787,0.9483671441299432,0.7459649784113495,0.7570762798985676,0.8541759475018847
EOS-4-08236,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)cn1,YCGKBYILHNCXKS-UHFFFAOYSA-N,4,1,0.563,47,164,436.838,3.385,5,0.406,0.68,1.0,0.9043674182715372,0.8995956411486533,0.6151566033856487,0.6408916455349187,0.7650028270851895
EOS-4-08238,Fc1nccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,HRNKDNPIFUBVCQ-UHFFFAOYSA-N,4,1,0.718,23,281,387.777,3.739,4,0.488,0.78,1.0,0.9900538002878487,0.9939431841546159,0.9087279830032212,0.9248166678089234,0.9543854088136523
EOS-4-08239,Cc1nc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)ccc1-c1ccccn1,GLAKBDWUFNQQBW-UHFFFAOYSA-N,4,1,0.451,46,267,431.406,3.809,5,0.418,0.61,0.94,0.6626345007196217,0.5854122404221781,0.5902011513946953,0.5649030224110754,0.6007877287368927
EOS-4-08240,Cc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,CMISFQXAGUKSDW-UHFFFAOYSA-N,4,1,0.484,65,262,446.421,3.246,5,0.366,0.65,1.0,0.8909944486327188,0.8221249400315263,0.35178363374683025,0.3345983825645946,0.5998753512439174
EOS-4-08241,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c(F)n2)n1,DKTFWLVRZKOPHF-UHFFFAOYSA-N,4,1,0.495,58,262,462.876,3.761,5,0.351,0.64,1.0,0.8817507367555343,0.897411075320403,0.4038962374066205,0.4078455897471044,0.6477259098074156
EOS-4-08242,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(Cl)n2)n1,MIPVWQQTBJZFAR-UHFFFAOYSA-N,4,1,0.479,58,262,462.876,3.761,5,0.351,0.63,1.0,0.8674525392365157,0.889803646083202,0.4181687341511891,0.43654478788294154,0.6529924268384621
EOS-4-08244,Fc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1-c1cc[nH]n1,IERHIKXNNQMYTF-UHFFFAOYSA-N,4,1,0.46,73,196,422.811,3.343,5,0.462,0.67,1.0,0.8585001028030979,0.7690014392433692,0.567850044548009,0.6174268384620657,0.7031946062641353
EOS-4-08245,Fc1cc(-c2nnc3cncc(OCCc4cc(Cl)nnc4Cl)n23)ccc1-c1ncon1,SPKCUJUNYGOPLN-UHFFFAOYSA-N,4,1,0.571,37,325,473.255,3.699,5,0.364,0.62,1.0,0.9010777191419368,0.8818792406277842,0.517613597423069,0.6288465492426838,0.7323542766088684
EOS-4-08246,N#Cc1cc(F)cc(NCc2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)c1,JPRBWQQZACWSCJ-UHFFFAOYSA-N,4,1,0.447,23,678,405.368,2.652,4,0.526,0.83,1.0,0.36513946953601534,0.3690459872524159,0.8081865533548077,0.759749160441368,0.5755302926461517
EOS-4-08247,N#Cc1ccc(-c2nnc3cncc(COc4cccnc4Cl)n23)c(Cl)n1,IXHAXCCKTRHXKK-UHFFFAOYSA-N,4,1,0.385,68,861,398.213,3.339,4,0.486,0.76,1.0,0.6212305530806662,0.6042252073195805,0.6972962785278597,0.7597577273661846,0.6706274415735728
EOS-4-08248,Fc1ccc(-c2nnc3cncc(OCc4ccc(Br)cn4)n23)cc1-c1nccs1,AKKYPYKLEBJJSK-UHFFFAOYSA-N,4,1,0.593,4,71,483.326,4.79,5,0.358,0.77,1.0,0.6927643752998424,0.8181498869165924,0.6726749366047563,0.672375094236173,0.7139910732643411
EOS-4-08249,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)c(Cl)n2)n1,HGGXIGSWPQAGFZ-UHFFFAOYSA-N,4,1,0.495,58,578,462.876,3.761,5,0.351,0.67,1.0,0.892793502844219,0.9042560482489206,0.41070694263587143,0.417474813241039,0.6563078267425124
EOS-4-08250,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4F)n23)ccc1-c1cnsc1,TVJRNFWGYRNKJE-UHFFFAOYSA-N,4,1,0.489,97,103,452.446,4.176,5,0.357,0.5,1.0,0.8739891028716332,0.7336714412994312,0.817850044548009,0.7228514152559797,0.7870905009937633
EOS-4-08251,Fc1ccc(-c2cc(-c3nnc4cncc(OCCc5cnc(Cl)cn5)n34)ccn2)nc1,LGMSOWDPXLYIMB-UHFFFAOYSA-N,4,1,0.494,75,583,448.849,3.452,5,0.389,0.66,1.0,0.810011308340758,0.814294770749092,0.4512370639435268,0.49535672674936604,0.6427249674456857
EOS-4-08252,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,DNPBCBOWYGMXCF-UHFFFAOYSA-N,4,1,0.453,73,196,439.863,4.076,5,0.407,0.72,1.0,0.7766688369542869,0.8259029538756768,0.48949695017476524,0.545438969227606,0.6593769275580837
EOS-4-08253,CC(C)c1ccc(Cc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)nn1,JYHZPMLFRQCDBS-UHFFFAOYSA-N,4,1,0.354,85,81,426.459,3.892,5,0.421,0.7,1.0,0.38824446576656846,0.38320711397436774,0.38564868754711806,0.30305496538962373,0.3650388081694195
EOS-4-08254,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccnc(F)c5)cn4)n23)c(F)c1F,RJHBADDFPAVOKP-UHFFFAOYSA-N,4,1,0.308,82,736,462.395,3.087,5,0.409,0.76,0.994,0.2320351586594476,0.36905455417723254,0.6919333835926256,0.6435388253032691,0.4841404804331437
EOS-4-08255,Fc1cc(-c2ncco2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,UBSZTXPRKZNRDH-UHFFFAOYSA-N,4,1,0.5,4,799,423.795,3.608,5,0.422,0.65,1.0,0.7766774038791036,0.7429751216503324,0.5712425467754095,0.5961722979919128,0.6717668425741896
EOS-4-08256,Fc1cnc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)nc1,REIGNSAFUFAYCH-UHFFFAOYSA-N,4,1,0.552,75,263,448.849,3.452,5,0.389,0.6,1.0,0.8404067575902954,0.8221335069563429,0.4142793502844219,0.4617829483928449,0.6346506408059763
EOS-4-08257,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)c(F)n2)n1,SVOQCVLXEUMQRH-UHFFFAOYSA-N,4,1,0.479,58,262,446.421,3.246,5,0.366,0.67,1.0,0.8497190048660133,0.829792337742444,0.42571619491467344,0.39239942430265234,0.6244067404564457
EOS-4-08258,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1cscn1,PLWGJJWIQWFOEY-UHFFFAOYSA-N,4,1,0.691,91,955,463.95,5.198,5,0.33,0.77,1.0,0.912111918305805,0.85019018573093,0.7436861764101158,0.7037214721403605,0.8024274381468027
EOS-4-08259,Fc1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1c[nH]nn1,SRNRCAQHDPEANW-UHFFFAOYSA-N,4,1,0.495,37,490,454.828,3.525,5,0.418,0.61,1.0,0.8631862106778151,0.8067644438352409,0.7359930779247481,0.7886625316976218,0.7986515660338566
EOS-4-08260,Clc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1nccs1,WLOMNEMMRSOPHR-UHFFFAOYSA-N,4,1,0.62,11,595,434.912,4.585,5,0.389,0.78,1.0,0.9150075388938387,0.9424816667808923,0.5608594338976081,0.6083201973819478,0.7566672092385717
EOS-4-08261,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)ccc1Cl,VKQCJXHGZSPAMM-UHFFFAOYSA-N,4,1,0.341,50,216,411.816,3.23,5,0.444,0.79,1.0,0.3047169488040573,0.482386402576931,0.7126139401000616,0.7648721814817353,0.5661473682406963
EOS-4-08262,COc1cc(-c2nnc3cncc(OCCc4c(F)ccnc4F)n23)ccc1-c1cocn1,SWJCKSQRLKPUDI-UHFFFAOYSA-N,4,1,0.5,11,777,450.405,3.75,5,0.346,0.62,1.0,0.9268727297649236,0.7336800082242478,0.7176427249674456,0.6114985264889315,0.7474234973613872
EOS-4-08263,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1n[nH]c(Cl)n1,CQURTQMZYBIYOT-UHFFFAOYSA-N,4,1,0.489,47,164,472.271,3.434,5,0.374,0.62,1.0,0.9106041395380714,0.892716400520869,0.41817730107600576,0.5053800287848674,0.6817194674799535
EOS-4-08264,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)c(F)cn5)n34)nn2)nc1,SQPGVHPMAGUVLQ-UHFFFAOYSA-N,4,1,0.424,54,411,451.372,2.472,5,0.384,0.6,0.949,0.704972243163594,0.6666009869097389,0.37450311836063327,0.4174833801658557,0.5408899321499555
EOS-4-08265,Cc1nnc(-c2cc(-c3nnc4cncc(OCc5nc(F)ncc5F)n34)ccc2F)s1,GGRILVLAEMLWKK-UHFFFAOYSA-N,4,1,0.451,4,526,456.413,3.405,5,0.371,0.67,1.0,0.6989239942430265,0.7645380714138853,0.407597148927421,0.4238314714550065,0.5737226715098348
EOS-4-08266,N#Cc1cc(-c2nnc3cncc(OCc4cc(Cl)ccn4)n23)ccc1-c1cccs1,BGDQFXCYMIFAEM-UHFFFAOYSA-N,4,1,0.565,4,850,444.907,5.019,5,0.378,0.67,0.977,0.701802480981427,0.8331762730450277,0.8405866630114454,0.8569066547871976,0.8081180179562745
EOS-4-08267,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)nnc1Cl,RNJKUBNIHLISRR-UHFFFAOYSA-N,4,1,0.44,55,283,448.849,3.718,5,0.4,0.7,0.956,0.8331420053457611,0.8221420738811597,0.5839044616544445,0.5870485230621616,0.7065592659858817
EOS-4-08268,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)c(F)c4F)n23)cc1F,BEKPRYVWQPKGNV-UHFFFAOYSA-N,4,1,0.319,0,129,484.413,3.029,5,0.45,0.83,1.0,0.4032365841957371,0.45629154958536083,0.5678586114728257,0.6230981426906997,0.5126212219861559
EOS-4-08269,N#Cc1cc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)ccc1Cl,LFKFTOVDEROBOR-UHFFFAOYSA-N,4,1,0.556,90,636,412.24,3.381,4,0.495,0.71,1.0,0.9216897402508396,0.9675227880200123,0.7256185319717634,0.8269738194777603,0.860451219930094
EOS-4-08270,Fc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1nnco1,WFCIOPLXYDVDHM-UHFFFAOYSA-N,4,1,0.494,73,196,424.783,3.003,5,0.419,0.71,1.0,0.842711260365979,0.7816719210472209,0.4142879172092386,0.4680967719827291,0.6266919676512919
EOS-4-08271,COc1cc(-c2nnc3cncc(OCc4c(F)ccnc4OC)n23)ccc1-c1cocn1,DZPWFAFWXNIYNH-UHFFFAOYSA-N,4,1,0.467,97,383,448.414,3.577,5,0.369,0.62,0.999,0.7991313138235899,0.6187975464327325,0.5678671783976423,0.3636830923171818,0.5873697827427866
EOS-4-08272,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)cc4)n23)cc1F,ATKFOSZTBYLZBS-UHFFFAOYSA-N,4,1,0.578,35,922,436.447,4.21,5,0.397,0.6,1.0,0.8719416078404496,0.7984116921389898,0.7738503186896032,0.7622592694126517,0.8016157220204235
EOS-4-08273,Cc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ncc1-c1ncc(F)cn1,NLKPTCNFCGAHBF-UHFFFAOYSA-N,4,1,0.446,65,262,447.409,2.641,5,0.362,0.58,1.0,0.7991398807484066,0.5995476663696799,0.18916626687684188,0.20244500034267698,0.4475747035844014
EOS-4-08274,FCc1cc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)ccn1,QYDYLAUSWAMVFX-UHFFFAOYSA-N,4,1,0.456,55,930,448.849,3.74,5,0.387,0.7,1.0,0.7049808100884106,0.7562538551161675,0.46887636214104583,0.45865602083476115,0.5971917620450963
EOS-4-08275,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ccncc1,CKHPAZNZSRMHGS-UHFFFAOYSA-N,4,1,0.539,11,103,442.454,4.018,5,0.376,0.73,1.0,0.8022925090809403,0.777337057089987,0.6621975875539716,0.5776591734630937,0.7048715817969982
EOS-4-08276,N#Cc1cnc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2F)nn1,XYQSGCRNHLEZDI-UHFFFAOYSA-N,4,1,0.447,4,390,460.82,2.676,5,0.359,0.65,1.0,0.6838633404153245,0.8951751079432527,0.33345041463916114,0.4209101500925228,0.5833497532725653
EOS-4-08277,COC1(COc2c(-c3cncc4nnc(-c5ccc(Cl)cc5)n34)cnn2C)CCCCC1F,LWKOJYVDXFWWTM-UHFFFAOYSA-N,4,1,0.388,78,792,470.936,4.521,5,0.412,0.55,0.999,0.512507710232335,0.5468525118223563,0.30009937632787337,0.5776677403879104,0.48428183469261876
EOS-4-08278,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)cn4)n23)c1,UQUJOUOOHZWKJO-UHFFFAOYSA-N,4,1,0.453,18,367,431.406,3.543,5,0.38,0.69,1.0,0.7172143787266123,0.7517476526626002,0.6726835035295731,0.67533925022274,0.7042461962853813
EOS-4-08279,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cc2F)nn1,FKLUUPVNZLYLOL-UHFFFAOYSA-N,4,1,0.557,37,325,446.421,3.246,5,0.366,0.62,1.0,0.9216983071756563,0.912728736892605,0.472200328969913,0.4586645877595778,0.691322990199438
EOS-4-08280,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)cc1C(F)F,CFFJYUVBFWRZAL-UHFFFAOYSA-N,4,1,0.517,27,343,483.429,5.041,5,0.302,0.6,1.0,0.5588976081145912,0.6139572339113152,0.9595041463916113,0.9109553834555548,0.7608285929682681
EOS-4-08281,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(Cl)cc4-c4ncno4)n23)c1F,YKJCWANQKFHPKU-UHFFFAOYSA-N,4,1,0.468,37,490,455.812,3.789,5,0.381,0.58,1.0,0.7879686107874717,0.8143033376739086,0.6726920704543897,0.7365670618874649,0.7528827702008087
EOS-4-08282,Fc1ccc(COc2cncc3nnc(-c4ccc(-c5nncs5)cc4Cl)n23)nc1Cl,DLMGFSIGUPRHIW-UHFFFAOYSA-N,4,1,0.494,34,712,474.308,4.73,5,0.34,0.68,1.0,0.717222945651429,0.8143119045987253,0.7509594955794668,0.8191522171201425,0.775411640737441
EOS-4-08283,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cnc1Cl,VGDPANHQQDNOPV-UHFFFAOYSA-N,4,1,0.5,65,904,462.876,3.761,5,0.375,0.65,1.0,0.8652165718593654,0.9239856761017066,0.46888492906586254,0.4741107532040299,0.6830494825577411
EOS-4-08284,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C)c(Br)c4)n23)cc1F,YSPZIZHKSHMWNE-UHFFFAOYSA-N,4,1,0.395,0,682,440.276,4.028,4,0.522,0.9,1.0,0.3882530326913851,0.3593567952847646,0.8022325406072236,0.7416729490781989,0.572878829415393
EOS-4-08285,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)c(F)c4)n23)c(F)c1F,WIRJKWYLTCRNHD-UHFFFAOYSA-N,4,1,0.337,0,129,466.423,3.081,5,0.499,0.91,1.0,0.30472551572887396,0.38321568089918445,0.18596223699540812,0.34739736824069634,0.3053252004660407
EOS-4-08286,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(C(=O)NC5CC5)c4F)n23)c(F)c1F,KTNKUOZFAXGEFV-UHFFFAOYSA-N,4,1,0.33,0,129,466.423,3.127,5,0.471,0.75,1.0,0.37674765266260024,0.4163696799396889,0.5547940511274073,0.577676307312727,0.48139692276060586
EOS-4-08287,COc1nc(-c2cccc(Cl)n2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,VEZHKCGBFHTZSZ-UHFFFAOYSA-N,4,1,0.484,58,710,477.887,4.066,5,0.323,0.6,1.0,0.869662805839216,0.802686587622507,0.48950551709958195,0.4586731546843945,0.6551320163114249
EOS-4-08288,N#Cc1cncc(NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)cc5)n34)cc2F)c1,ZCGFQRONXZCMCE-UHFFFAOYSA-N,4,1,0.404,62,504,478.447,3.215,5,0.393,0.86,1.0,0.11354602152011514,0.15327941881982043,0.7049379754643273,0.5776848742375437,0.3873620725104516
EOS-4-08289,COc1cc(-c2nnc3cncc(OCCc4cc(F)cnc4F)n23)ccc1-c1cc[nH]n1,ZZRYEYCDNOSTLF-UHFFFAOYSA-N,4,1,0.485,15,777,449.421,3.485,5,0.38,0.54,1.0,0.9163525460900556,0.764546638338702,0.715029812898362,0.6115070934137482,0.751859022685217
EOS-4-08290,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(OCc3cnnc(Cl)c3)n12,MSYFBKYGYAWHMN-UHFFFAOYSA-N,4,1,0.5,16,772,424.783,3.003,5,0.419,0.72,1.0,0.812667055033925,0.7517562195874169,0.5241158933589198,0.5585806318963745,0.661779949969159
EOS-4-08291,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)cn1,ZEQIJUKSOXWRSW-UHFFFAOYSA-N,4,1,0.743,23,281,387.777,3.739,4,0.488,0.8,1.0,0.9889229662120486,0.9933777671167158,0.909764580906038,0.9301024604208074,0.9555419436639024
EOS-4-08292,Fc1ncc(F)c(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4Cl)n23)n1,AFNFOFMXDVQSAQ-UHFFFAOYSA-N,4,1,0.456,24,28,458.841,3.61,5,0.29,0.59,1.0,0.6532023164964704,0.7773456240148037,0.36314337605373176,0.42091871701733946,0.5536525083955863
EOS-4-08293,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cn2)n1,KNDJMPJYWYTAGD-UHFFFAOYSA-N,4,1,0.483,55,109,432.394,3.204,5,0.417,0.7,1.0,0.7652319923240354,0.7562624220409842,0.5608680008224248,0.5585891988211912,0.6602379035021588
EOS-4-08294,N#Cc1cc(-c2nnc3cncc(CNCc4ccc(Cl)nn4)n23)ccc1-c1ccccc1,PZNOJBNVLXTQHA-UHFFFAOYSA-N,4,1,0.35,1,418,452.909,4.063,5,0.414,0.75,1.0,0.3605561647590981,0.35438797889109724,0.6356315536974847,0.7096583510383113,0.5150585120964979
EOS-4-08295,Cc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ncc1-c1ccc(Cl)nc1,OOYFHZLUHNUELF-UHFFFAOYSA-N,4,1,0.451,18,578,462.876,3.761,5,0.351,0.67,1.0,0.8381193886642451,0.7473870879309163,0.4583304776917278,0.48003049825234734,0.6309668631348091
EOS-4-08296,NC(=O)c1ccc(-c2nnc3cncc(CNC(=O)c4cc(F)c(Br)cn4)n23)cc1F,LFGJNYBOLOJNAX-UHFFFAOYSA-N,4,1,0.484,90,133,488.252,2.256,4,0.444,0.86,1.0,0.43720444109382495,0.37850387225001714,0.4107155095606881,0.37657631416626686,0.40075003426769923
EOS-4-08297,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)nc1,QSDJBOURLIPERS-UHFFFAOYSA-N,4,1,0.458,90,683,458.856,3.489,4,0.426,0.7,1.0,0.5175279281749023,0.3055222397368241,0.6727006373792064,0.6204852306216161,0.5290590089781372
EOS-4-08299,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3cncs3)n12,ZFZUEFTXOMCWIJ-UHFFFAOYSA-N,4,1,0.603,35,619,424.486,4.132,5,0.408,0.74,1.0,0.8205743266397094,0.8712134192310328,0.44397231169899254,0.46179151531766155,0.6493878932218491
EOS-4-08301,OCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cn1,KOGQNIQFVOWAJC-UHFFFAOYSA-N,4,1,0.521,65,904,444.43,2.291,5,0.402,0.61,1.0,0.708116304571311,0.7011256939209102,0.4076057158522377,0.347405935165513,0.5410634123774929
EOS-4-08302,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1F,LKYFIAMJCNDBCW-UHFFFAOYSA-N,4,1,0.364,0,188,452.396,2.867,5,0.483,0.84,0.999,0.3469004866013296,0.40681755876910425,0.5839130285792612,0.6409002124597355,0.49463282160235766
EOS-4-08303,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(-c5cc[nH]n5)c(F)c4)n23)cc1F,CVKFTFRGMKJPDG-UHFFFAOYSA-N,4,1,0.37,14,678,460.448,3.431,5,0.358,0.77,1.0,0.28861969707353846,0.3107309300253581,0.6645534918785553,0.5617161263792749,0.45640506133918174
EOS-4-08304,COc1cc(-c2nnc3cncc(OCc4nccc(F)c4F)n23)ccc1-c1cocn1,UOSQEBFTQONENS-UHFFFAOYSA-N,4,1,0.489,97,383,436.378,3.707,5,0.397,0.69,1.0,0.840415324515112,0.6911023918854088,0.7646408745116853,0.6550527722568706,0.7378028407922692
EOS-4-08305,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)OC)cc4F)n23)cc1F,DKINKQBFNNPUOM-UHFFFAOYSA-N,4,1,0.345,0,129,423.379,2.883,4,0.507,0.84,1.0,0.5100147351106846,0.37375779590158315,0.6999006236721267,0.5323744088821877,0.5290118908916455
EOS-4-08306,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)c(F)c2)n1,RZXCREKAFSIQBJ-UHFFFAOYSA-N,4,1,0.539,37,386,446.421,3.246,5,0.366,0.66,1.0,0.9027397025563704,0.9042646151737372,0.4928380508532657,0.4711208964430128,0.6927408162565966
EOS-4-08307,N#Cc1cc(-c2ccc(F)nn2)cc(-c2nnc3cncc(OCc4cc(C#N)ccn4)n23)c1,MVHRHCVATNCKIP-UHFFFAOYSA-N,4,1,0.5,72,418,449.409,3.105,5,0.396,0.65,0.994,0.6015180590775135,0.6418597080392022,0.8104310876567747,0.772179768350353,0.7064971557809608
EOS-4-08308,Cc1cc(F)cc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)n1,QMLVBFHSLXLMFG-UHFFFAOYSA-N,4,1,0.529,24,912,431.406,3.809,5,0.418,0.64,1.0,0.6500582550887534,0.580126447810294,0.6757418956891235,0.6378760879994517,0.6359506716469057
EOS-4-08309,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(Cl)c4)n23)c1F,VLDSABDTDPYFNL-UHFFFAOYSA-N,4,1,0.494,97,606,452.902,4.99,5,0.374,0.72,1.0,0.8257401823041601,0.8259115208004935,0.759826262764718,0.7494431498869166,0.790230278939072
EOS-4-08310,Cc1cc(F)cc(COc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)c1F,RVDJEFGDPCMBBG-UHFFFAOYSA-N,4,1,0.556,43,178,436.447,4.475,5,0.404,0.72,1.0,0.6838719073401411,0.6762387773284901,0.8536255225824139,0.823033034062093,0.7591923103282845
EOS-4-08311,Fc1cc(-c2nnc3cncc(OCCc4ncc(F)c(F)n4)n23)ccc1-c1ncon1,ICHDNTRRKNPPJZ-UHFFFAOYSA-N,4,1,0.517,73,325,440.345,2.67,5,0.367,0.61,1.0,0.8631947776026317,0.7773541909396203,0.43668185868000825,0.4554348571036941,0.6331664210814886
EOS-4-08312,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)c(F)n2)n1,DHQULUPVJPJJQE-UHFFFAOYSA-N,4,1,0.473,65,262,446.421,3.246,5,0.366,0.67,1.0,0.8836697279144679,0.8331848399698444,0.40037523130697006,0.37658488109108357,0.6234536700705914
EOS-4-08313,O=C(CO)NCc1cc(F)c(-c2nnc3cncc(OCCc4ccccn4)n23)cc1F,UPSQYSJZXMMMPY-UHFFFAOYSA-N,4,1,0.538,90,636,440.41,1.694,4,0.429,0.73,1.0,0.6441128092659859,0.2798985676101707,0.4439808786238092,0.3669470906723323,0.4337348365430745
EOS-4-08314,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)cn1,XUZUPJDDMLRUAT-UHFFFAOYSA-N,4,1,0.5,65,282,428.431,3.107,5,0.38,0.67,1.0,0.8608817079021315,0.8683006647933658,0.4003837982317867,0.32478925364950995,0.6135888561441984
EOS-4-08315,Cc1ncc(-c2ccc(-c3nnc4cncc(CCc5ncccn5)n34)c(F)n2)cn1,OVDJPAHJAFSUJV-UHFFFAOYSA-N,4,1,0.356,85,282,413.42,2.666,5,0.405,0.72,1.0,0.38362689329038446,0.44761325474607633,0.11272359673771502,0.11416284010691523,0.26453164622027275
EOS-4-08316,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4css4)nc3F)n12,XZRSZOLJZJJKGZ-UHFFFAOYSA-N,4,1,0.537,58,271,442.476,4.271,5,0.289,0.63,1.0,0.7415358782811322,0.810396819957508,0.5176221643478857,0.5355013364402714,0.6512640497566993
EOS-4-08317,Cc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5cccc(F)n5)nc4)n23)cn1,ZVHMOCAQYXAECS-UHFFFAOYSA-N,4,1,0.554,11,56,443.442,3.838,5,0.35,0.81,1.0,0.8585086697279145,0.8563412377492975,0.506990610650401,0.3734493866081831,0.6488224761839491
EOS-4-08318,COc1cc(-c2nnc3cncc(CNCc4ccc(F)c(C#N)c4)n23)ccc1-c1ccc(F)nn1,LTNPHMIYZOBHQK-UHFFFAOYSA-N,4,1,0.349,14,257,484.47,3.697,5,0.372,0.7,1.0,0.4873809197450483,0.4916129806044822,0.845367007059146,0.7698495648002193,0.648552618052224
EOS-4-08319,Cn1nccc1-c1cc(-c2nnc3cncc(Oc4c(F)cc(F)cc4F)n23)ncn1,CVQFYFRKNVTUIA-UHFFFAOYSA-N,4,1,0.378,13,971,424.346,3.191,5,0.437,0.6,1.0,0.469981495442396,0.43873792063600847,0.709975327256528,0.6813275306695908,0.5750055685011308
EOS-4-08320,Cc1cc(-c2nnc3cncc(OCc4ccc(C(F)F)cn4)n23)ccc1-c1cscn1,CYFXMAMCFPILAT-UHFFFAOYSA-N,4,1,0.552,1,676,450.474,5.135,5,0.357,0.69,1.0,0.6157819888972654,0.6521485847440203,0.8696285381399493,0.7907785621273388,0.7320844184771436
EOS-4-08321,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(C(F)F)nc(C)n4)n23)c(F)c1F,RXXRKWDQVIXXMQ-UHFFFAOYSA-N,4,1,0.311,68,129,445.38,3.522,4,0.472,0.73,0.836,0.34690905352614626,0.42078164622027275,0.7230227537523131,0.5933195120279624,0.5210082413816737
EOS-4-08322,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccnc(C#CC(F)F)c4)n23)cc1F,ZNSRBYWDNKOKSB-UHFFFAOYSA-N,4,1,0.327,0,188,448.408,3.501,5,0.483,0.84,0.999,0.2404478788294154,0.3449900623672127,0.7956959769721061,0.8063360975944075,0.5468675039407854
EOS-4-08323,Cc1nc(-c2ccc(-c3nnc4cncc(CCc5ncc(Cl)cn5)n34)cc2F)cs1,IHPJSLVPJGJHGI-UHFFFAOYSA-N,4,1,0.388,14,81,451.918,4.591,5,0.388,0.76,1.0,0.40112912069083684,0.5011565348502501,0.3631519429785484,0.45544342402851073,0.43022025563703653
EOS-4-08324,CCc1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ccccn1,ILIRWKYNFHNCNZ-UHFFFAOYSA-N,4,1,0.483,44,348,426.455,4.529,5,0.397,0.72,0.971,0.677994996915907,0.6568089918442875,0.5409927352477555,0.5386882324720719,0.6036212391200055
EOS-4-08325,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccsc1,QMPHCLKSDKBRJF-UHFFFAOYSA-N,4,1,0.535,35,103,447.495,4.684,5,0.337,0.68,1.0,0.8798917140703173,0.8104053868823248,0.7282999794393804,0.6348947981632513,0.7633729696388185
EOS-4-08326,CNCCc1ccc(COc2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)cc1,KAEGZKHGEWLSBE-UHFFFAOYSA-N,4,1,0.495,48,378,452.465,2.77,4,0.427,0.82,1.0,0.5255208690288534,0.2696610924542526,0.6811133575491741,0.5019446919333836,0.4945600027414159
EOS-4-08328,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5cc(F)c(Cl)cn5)n34)cn2)n1,BCDRGTFVTDWTDM-UHFFFAOYSA-N,4,1,0.489,73,930,448.849,3.718,5,0.4,0.7,1.0,0.7265094921526969,0.7941282297306559,0.5241244602837366,0.5053885957096841,0.6375376944691934
EOS-4-08329,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,JDBYVFYKIDUXNY-UHFFFAOYSA-N,4,1,0.577,90,255,392.728,3.231,4,0.496,0.7,1.0,0.7476098279761497,0.8625265574669316,0.8944469193338359,0.9186570488657392,0.8558100884106641
EOS-4-08330,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nn5)n34)cc2)ccn1,JWQFPMMKXXNFLX-UHFFFAOYSA-N,4,1,0.535,72,132,447.861,4.057,5,0.362,0.71,1.0,0.910612706462888,0.9493780412583099,0.6564920156260708,0.7066427935028442,0.8057813892125283
EOS-4-08331,Fc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5cocn5)c4)n23)n1,FGEUKSBNRSKOIL-UHFFFAOYSA-N,4,1,0.506,24,199,408.328,2.488,5,0.404,0.61,1.0,0.6748766362826399,0.5146323075868686,0.37837536837776714,0.34741450209032965,0.4788247035844013
EOS-4-08332,COc1cc(-c2nnc3cncc(COc4cccnc4F)n23)ccc1-c1ccnnc1,RWYZCEMMSNRFNH-UHFFFAOYSA-N,4,1,0.4,14,351,429.415,3.37,5,0.379,0.68,1.0,0.6240405044205332,0.537523130697005,0.6782777054348571,0.5386967993968885,0.594634534987321
EOS-4-08333,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccc2Cl)n1,AWUXMFFIFZLGNI-UHFFFAOYSA-N,4,1,0.471,73,196,465.304,4.233,5,0.38,0.69,1.0,0.8585172366527312,0.9042731820985539,0.44398944554862585,0.512096497841135,0.6797190905352615
EOS-4-08334,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)c(F)c1,LKQUCYACPANXNN-UHFFFAOYSA-N,4,1,0.534,26,265,467.867,4.14,5,0.373,0.68,1.0,0.8910030155575355,0.833193406894661,0.859605236104448,0.8569152217120143,0.8601792200671646
EOS-4-08335,Cc1cc(-c2nnc3cncc(OCc4cc(-c5cc(F)ccn5)cnn4)n23)ccc1Cl,HUEQJSZAFLGEPY-UHFFFAOYSA-N,4,1,0.478,4,534,447.861,4.323,5,0.396,0.69,1.0,0.7140960180933452,0.8683092317181824,0.7761548214652868,0.797786306627373,0.7890865944760469
EOS-4-08336,COCCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,KZJXSTBBYLHIJD-UHFFFAOYSA-N,4,1,0.785,48,378,453.449,3.067,4,0.392,0.85,1.0,0.5100233020355014,0.13438934959906793,0.6700448906860393,0.5423805770680556,0.46420952984716607
EOS-4-08337,Fc1cc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)cnc1Cl,NSIMCMPUQDJVJX-UHFFFAOYSA-N,4,1,0.449,2,422,439.863,4.076,5,0.381,0.66,1.0,0.6959341374820095,0.6418682749640189,0.6450894386950861,0.652285655541087,0.6587943766705504
EOS-4-08338,CCc1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ccc(CO)nc1,QYVPMVBBIWEPLS-UHFFFAOYSA-N,4,1,0.453,1,348,456.481,4.021,5,0.395,0.74,0.995,0.6748852032074566,0.627604345144267,0.6240490713453499,0.564911589335892,0.6228625522582414
EOS-4-08339,Cn1cnnc1-c1ccc(-c2nnc3cncc(Br)n23)c(Br)c1F,WYWRPRPAFSEQAU-UHFFFAOYSA-N,4,1,0.607,68,861,453.073,3.251,4,0.466,0.71,1.0,0.22939654581591393,0.35936536220958126,0.454920841614694,0.555265231992324,0.39973699540812835
EOS-4-08340,Fc1cnc(CCOc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)cc1F,YESQXPKFSJKEMY-UHFFFAOYSA-N,4,1,0.533,11,275,436.447,4.21,5,0.397,0.67,1.0,0.7766859708039202,0.6911109588102254,0.7176512918922624,0.709666917963128,0.723778784867384
EOS-4-08341,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)c1F,GWTSBVWFPOCUGU-UHFFFAOYSA-N,4,1,0.541,35,922,436.447,4.21,5,0.397,0.61,1.0,0.8760194640531834,0.8683177986429991,0.7024021657185937,0.7011599616201768,0.7869748475087383
EOS-4-08344,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Br)cc4)n23)c(F)c1)N1CCOCC1,ASXCYMMBJFEYEG-UHFFFAOYSA-N,4,1,0.516,0,21,482.313,3.832,5,0.444,0.93,1.0,0.22668083064903022,0.17738674525392364,0.11859194023713247,0.3474230690151463,0.21752064628880816
EOS-4-08345,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)n1,MJXQPIFXCLENEF-UHFFFAOYSA-N,4,1,0.511,11,0,437.435,3.605,5,0.375,0.68,1.0,0.8047854842025907,0.8298009046672606,0.5241330272085533,0.515574669316702,0.6685735213487767
EOS-4-08346,COc1cc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)ccc1-c1cccnc1,ALPCOODLJBDOFT-UHFFFAOYSA-N,4,1,0.59,97,83,444.882,4.489,5,0.381,0.68,1.0,0.7591837434034678,0.7429836885751491,0.757478925364951,0.7011685285449935,0.7402037214721404
EOS-4-08347,Cc1nc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)ccc1-c1cncn1C,BJEVBKAXYCQELK-UHFFFAOYSA-N,4,1,0.378,13,724,453.84,4.619,5,0.395,0.6,0.785,0.5841957370982113,0.6090312521417311,0.8081951202796245,0.7886710986224384,0.6975233020355014
EOS-4-08348,Fc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)nn2)nc1,MEQINJCXWNZJJT-UHFFFAOYSA-N,4,1,0.461,54,411,432.394,2.938,5,0.377,0.65,0.995,0.8306490302241107,0.7106007127681447,0.4862586525940648,0.5019532588582003,0.6323654136111301
EOS-4-08349,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)nc1,LQZYOKYHNAHIBX-UHFFFAOYSA-N,4,1,0.446,51,930,435.81,2.805,5,0.41,0.67,1.0,0.7265180590775135,0.8143204715235419,0.2529041875128504,0.30005654170379,0.523449814954424
EOS-4-08350,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1cccnc1F,UBPIWMUJEDHRQE-UHFFFAOYSA-N,4,1,0.511,15,103,477.887,4.066,5,0.255,0.65,1.0,0.95007196216846,0.9107240764855048,0.6389555205263519,0.5683383592625592,0.7670224796107189
EOS-4-08351,CN(C)C(=O)c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,JBWKSXGWUAJHQV-UHFFFAOYSA-N,4,1,0.584,90,636,457.321,3.816,4,0.438,0.76,1.0,0.593096771982729,0.57481495442396,0.4181858680008224,0.41749194709067233,0.500897385374546
EOS-4-08352,COc1ccc(COc2cncc3nnc(-c4ccc(-c5cccs5)c(OC)c4)n23)c(F)n1,YCQBAORMGBANSA-UHFFFAOYSA-N,4,1,0.462,97,383,463.494,4.65,5,0.325,0.72,1.0,0.8719501747652663,0.7816804879720376,0.6999091905969433,0.49836371736001644,0.712975892673566
EOS-4-08353,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Br)cn4)n23)cn1,REQUQBGJBPJBHX-UHFFFAOYSA-N,4,1,0.598,90,281,431.681,3.619,4,0.449,0.73,1.0,0.7907699952025221,0.9383095743951751,0.5241415941333699,0.5933280789527791,0.7116373106709616
EOS-4-08354,Cc1cc(-c2nnc3cncc(COc4cc(F)ccc4F)n23)ccc1-c1cnn(C)c1,PSTIQXNBSDEWMZ-UHFFFAOYSA-N,4,1,0.418,14,189,432.434,4.357,5,0.413,0.75,1.0,0.47511308340758,0.5057826742512508,0.8908316770612021,0.8449986292920293,0.6791815160030156
EOS-4-08355,COc1cc(-c2nnc3cncc(CNc4cc(F)cc(C#N)c4)n23)ccc1-c1cncs1,NCHYJBJQHQSFLS-UHFFFAOYSA-N,4,1,0.358,14,257,457.494,4.546,5,0.399,0.74,1.0,0.31992324035364267,0.2747241450209033,0.8060619560002742,0.7096754848879446,0.5275962065656912
EOS-4-08356,COc1cc(-c2nnc3cncc(OCc4ccncc4F)n23)ccc1-c1cocn1,LWKDXJNCMQBYRP-UHFFFAOYSA-N,4,1,0.483,97,383,418.388,3.568,5,0.413,0.73,1.0,0.9191025289562059,0.6911195257350421,0.7206325817284628,0.5841015009252278,0.7287390343362347
EOS-4-08358,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,YOMPEYDMRXRIGC-UHFFFAOYSA-N,4,1,0.615,35,982,418.457,4.07,5,0.414,0.73,1.0,0.8979850592831198,0.8927249674456857,0.6645620588033719,0.6409087793845522,0.7740452162291824
EOS-4-08359,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cnc(C)nc1,XOJGUOHHPGKHFA-UHFFFAOYSA-N,4,1,0.365,14,767,443.442,3.678,5,0.367,0.7,1.0,0.6184720032896991,0.5609536700705915,0.6565005825508875,0.480039065177164,0.5789913302720855
EOS-4-08361,Fc1c(Cl)cncc1CCOc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,CPGGLSDCMZNJNE-UHFFFAOYSA-N,4,1,0.548,75,583,453.89,4.119,5,0.382,0.64,1.0,0.7624477417586183,0.7517647865122336,0.6120553766020149,0.6409173463093688,0.6917963127955589
EOS-4-08362,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5cccc(F)c5)ncn4)n23)cc1Cl,NZNXEEIBUZYFDW-UHFFFAOYSA-N,4,1,0.359,96,802,459.872,4.067,5,0.435,0.77,1.0,0.330152148584744,0.3832242478240011,0.7206411486532794,0.7390600370091152,0.543269395517785
EOS-4-08363,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)ncc1F,UZBWZXGUUZSWBP-UHFFFAOYSA-N,4,1,0.521,65,262,446.421,3.246,5,0.366,0.68,1.0,0.9075371804537044,0.8794119662805839,0.39670002056061954,0.3602306216160647,0.6359699472277431
EOS-4-08364,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)ccn1,UXKLTUGKBDMDEC-UHFFFAOYSA-N,4,1,0.761,23,281,387.777,3.739,4,0.488,0.78,1.0,0.987903502158865,0.9852905900897814,0.9265300527722569,0.9379240627784251,0.9594120519498321
EOS-4-08365,Fc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,CALQVERIVJLIOE-UHFFFAOYSA-N,4,1,0.536,58,271,414.404,2.799,5,0.391,0.66,1.0,0.8608902748269481,0.8181584538414091,0.3334589815639778,0.32479782057432666,0.5843263827016654
EOS-4-08367,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(F)c(F)c4)n23)cc1F,ZLRDVMOKHRGRSK-UHFFFAOYSA-N,4,1,0.416,0,188,409.371,3.768,5,0.557,0.87,1.0,0.4559660064423275,0.5748235213487767,0.8003563840723734,0.8801230210403673,0.6778172332259612
EOS-4-08368,Fc1nc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3nc(Cl)cnc3F)n12,YXGSPOKIWFLANS-UHFFFAOYSA-N,4,1,0.433,58,24,467.827,2.986,5,0.347,0.57,0.927,0.8047940511274073,0.8533685148379138,0.29289459255705574,0.3765934480159002,0.5819126516345693
EOS-4-08369,COc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,XJFDKMBKCNEYEG-UHFFFAOYSA-N,4,1,0.522,35,982,443.442,3.413,5,0.377,0.62,1.0,0.7591923103282846,0.6276129120690837,0.672709204304023,0.5649201562607087,0.6561086457405251
EOS-4-08370,N#Cc1ccnc(COc2cncc3nnc(-c4cc(F)cc(-c5cccnn5)c4)n23)c1,TZMIYVRTVOOJQB-UHFFFAOYSA-N,4,1,0.581,4,712,424.399,3.233,5,0.422,0.72,0.994,0.5755688438078267,0.6418768418888355,0.7436947433349325,0.7203241724350627,0.6703661503666644
EOS-4-08371,N#Cc1ccc(-c2ccc(-c3nnc4cncc(-c5ncc(Br)cn5)n34)nc2)cc1,YPLQYBUMFJUCTL-UHFFFAOYSA-N,4,1,0.377,96,856,455.279,3.944,5,0.406,0.78,1.0,0.27476697964498664,0.33983277362757863,0.5839215955040779,0.6522942224659036,0.4627038928106367
EOS-4-08372,FC(F)(F)CCc1ccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nn1,LKKYINCBOQSEFG-UHFFFAOYSA-N,4,1,0.467,27,52,484.467,4.174,5,0.339,0.69,1.0,0.6412771571516689,0.6811133575491741,0.6092025906380646,0.5085583578918511,0.6100378658076897
EOS-4-08373,CC1CCCCN1C(=O)c1ncc(Cc2cncc3nnc(-c4ccc(F)c(F)c4)n23)o1,VZVOLLBUNIKWAV-UHFFFAOYSA-N,4,1,0.409,78,345,438.438,3.663,5,0.483,0.73,1.0,0.22380234391062984,0.2852614625454047,0.01360427660886848,0.104961962853814,0.15690751147967924
EOS-4-08374,Fc1cc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)cnn1,WZRYGAQTKGVZTQ-UHFFFAOYSA-N,4,1,0.517,4,675,434.822,3.41,5,0.414,0.67,1.0,0.8205828935645261,0.9397316839147419,0.6450980056199027,0.6813360975944075,0.7716871701733946
EOS-4-08375,N#Cc1ccc(F)c(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,GEUQZBMNESFKDM-UHFFFAOYSA-N,4,1,0.64,90,400,394.797,3.472,4,0.515,0.76,1.0,0.9935491056130491,0.991981358371599,0.7785621273387705,0.8331505722705778,0.8993107908984991
EOS-4-08376,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccc(F)n5)c(F)c4)n23)cc1F,SSKZXDQMOZQVBF-UHFFFAOYSA-N,4,1,0.333,62,341,486.457,4.83,6,0.36,0.85,1.0,0.36056473168391473,0.44762182167089304,0.7832139675142211,0.8484768007675965,0.6099693304091564
EOS-4-08377,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cncc(F)c5)cn4)n23)c(F)c1F,MRZWBPCFZSZRIY-UHFFFAOYSA-N,4,1,0.307,73,736,462.395,3.087,5,0.437,0.74,1.0,0.277542663285587,0.34968473716674664,0.6864077170858749,0.6550613391816873,0.492174114179974
EOS-4-08378,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(F)n4)n23)ccc1-c1cnco1,GSNPFAZHQFXIIX-UHFFFAOYSA-N,4,1,0.517,97,83,436.378,3.707,5,0.372,0.72,1.0,0.7794188198204373,0.6861335754917415,0.787240422178055,0.6578627235967377,0.7276638852717429
EOS-4-08379,COc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)n5)n34)c(F)c2)o1,BLZMHPGJIXGCQM-UHFFFAOYSA-N,4,1,0.489,4,554,437.366,3.102,5,0.37,0.74,1.0,0.7296621204852306,0.6568175587691042,0.46517545062024535,0.3858628606675348,0.5593794976355287
EOS-4-08380,Fc1ccnc(CCOc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)c1F,AAXWRBPVQAVAMN-UHFFFAOYSA-N,4,1,0.5,11,490,436.447,4.21,5,0.397,0.64,1.0,0.732617709546981,0.6762473442533068,0.6727177712288397,0.6813446645192242,0.690731872387088
EOS-4-08381,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1)N1CCC(F)CC1,NCERJDYPVTUVKC-UHFFFAOYSA-N,4,1,0.398,78,345,467.455,3.684,5,0.445,0.8,0.959,0.0817284627510109,0.16471626345007195,0.07832739359879377,0.23761222671509835,0.14059608662874373
EOS-4-08382,Cn1nc(-c2cc(-c3nnc4cncc(Oc5ccc(F)cc5F)n34)ncn2)cc1F,XQQPZUXKFCHTNS-UHFFFAOYSA-N,4,1,0.387,44,971,424.346,3.191,5,0.437,0.64,0.994,0.43244123089575764,0.4518795833047769,0.6757504626139401,0.6813532314440408,0.5603561270646289
EOS-4-08383,Cc1cnc(Cl)cc1COc1cncc2nnc(-c3ccnc(-c4cncnc4)c3)n12,BHSXWBDDPTWLKC-UHFFFAOYSA-N,4,1,0.456,55,441,430.859,3.579,5,0.39,0.61,1.0,0.692772942224659,0.6373106709615517,0.5712511137002262,0.5186930299499691,0.6050069392091015
EOS-4-08384,Cc1nc(-c2ncc(F)cn2)cc(-c2cncc3nnc(-c4ccc(C)c(C#N)c4)n23)n1,ROMWEVKSBTWUON-UHFFFAOYSA-N,4,1,0.361,50,155,423.415,3.333,5,0.433,0.62,1.0,0.335001028030978,0.3785124391748338,0.44399801247344256,0.430188129668974,0.3969249023370571
EOS-4-08385,FCc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c(F)n2)[nH]n1,JFVCUIFMKPVEMH-UHFFFAOYSA-N,4,1,0.474,58,271,452.4,3.341,5,0.378,0.57,1.0,0.762456308683435,0.7197930230964293,0.6092111575628812,0.5961808649167295,0.6719103385648688
EOS-4-08386,Fc1ccc(CCOc2cncc3nnc(-c4cnc(-c5cscn5)cn4)n23)cc1F,ADSCQZDTJPNESJ-UHFFFAOYSA-N,4,1,0.62,84,308,437.435,3.605,5,0.401,0.68,1.0,0.7018110479062436,0.6276214789939003,0.5934223151257625,0.5990764855047632,0.6304828318826674
EOS-4-08387,Cc1ncc(-c2cccc(CCOc3cncc4nnc(-c5ccc(Cl)cc5F)n34)c2)n1C,KYZVZDAAPZOZKP-UHFFFAOYSA-N,4,1,0.725,91,70,462.916,4.914,5,0.358,0.67,1.0,0.9106212733877047,0.9293400041121239,0.7809008978137207,0.769858131725036,0.8476800767596463
EOS-4-08388,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c(F)cc1F,IPYFYONOXOZPEP-UHFFFAOYSA-N,4,1,0.518,24,912,448.418,3.434,5,0.402,0.59,1.0,0.6072664656294976,0.5995562332944966,0.6063155369748475,0.5683469261873758,0.5953712905215544
EOS-4-08389,N#Cc1cncc(-c2ccc(-c3nnc4cncc(OCc5cnc(F)cn5)n34)cn2)c1,LPVFQNOCXYTEJX-UHFFFAOYSA-N,4,1,0.411,7,85,425.387,2.628,5,0.417,0.73,1.0,0.6626430676444384,0.7336885751490645,0.5712596806250428,0.52532382975807,0.623228788294154
EOS-4-08390,Cc1ncc(F)cc1COc1cncc2nnc(-c3ccc(F)c(-c4ccon4)c3)n12,OYOWSFNBJUWPHM-UHFFFAOYSA-N,4,1,0.517,59,666,420.379,4.007,5,0.424,0.7,1.0,0.9010862860667535,0.7429922554999657,0.7933572064971558,0.7494517168117333,0.7967218662189021
EOS-4-08391,Fc1nc(-c2cnco2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,AHERQNJTZMAPQX-UHFFFAOYSA-N,4,1,0.534,87,143,437.822,3.65,5,0.371,0.66,1.0,0.8449300938934959,0.8026951545473237,0.49971729148105,0.5288448358577205,0.6690468439448976
EOS-4-08392,COc1cc(-c2nnc3cncc(CNCc4cccc(F)c4)n23)ccc1-c1cnsc1,ZRJORNIRGKPOCP-UHFFFAOYSA-N,4,1,0.417,14,257,446.511,4.352,5,0.401,0.71,1.0,0.35355698718388046,0.3543965458159139,0.7256270988965801,0.6607926118840382,0.5235933109451032
EOS-4-08393,CNCc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1C#N,LJASBYAYMHQUSQ-UHFFFAOYSA-N,4,1,0.575,90,636,419.876,3.052,4,0.459,0.75,1.0,0.7592008772531013,0.5801350147351106,0.7485093550818998,0.6898259200877254,0.6944177917894593
EOS-4-08394,COc1cc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1-c1cnco1,NYXWPUGRJKRNHK-UHFFFAOYSA-N,4,1,0.506,97,83,436.378,3.707,5,0.397,0.64,1.0,0.7737218148173531,0.6373192378863684,0.7646494414365019,0.6550699061065041,0.7076901000616819
EOS-4-08395,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5)n34)c(F)c2)s1,UYJHQNJFZBJWNB-UHFFFAOYSA-N,4,1,0.733,91,660,431.496,4.984,5,0.379,0.76,1.0,0.8696713727640326,0.9277208553217737,0.6757590295387568,0.6466400520869029,0.7799478274278665
EOS-4-08396,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ccc1-c1cncn1C,DAGKAIXFEQKTAZ-UHFFFAOYSA-N,4,1,0.536,43,16,448.433,4.058,5,0.39,0.76,1.0,0.7476183949009664,0.6090398190665479,0.8802001233637173,0.7956017407991227,0.7581150195325885
EOS-4-08397,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cc1F,WVOKBEQXRFTHAW-UHFFFAOYSA-N,4,1,0.578,35,922,436.447,4.21,5,0.397,0.66,1.0,0.9176461517373724,0.8737320951271331,0.7485179220067165,0.7309728599821808,0.8177172572133506
EOS-4-08399,Cc1ccc(-c2cc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)ncn2)nn1,UYGGTUWDASWVEU-UHFFFAOYSA-N,4,1,0.383,44,488,448.849,3.718,5,0.4,0.73,0.758,0.6686913165650058,0.6324703584401343,0.5608765677472415,0.6019721060927969,0.6160025872112946
EOS-4-08400,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(F)cc(-c5cnccn5)c4)n23)cc1F,QWDWHVLFZLRHSU-UHFFFAOYSA-N,4,1,0.349,96,648,443.417,3.553,5,0.456,0.9,1.0,0.3020012336371736,0.24931464601466657,0.7646580083613186,0.7203327393598794,0.5090766568432595
EOS-4-08401,Fc1ccncc1CCOc1cncc2nnc(-c3cc(Cl)nc(-c4cscn4)c3)n12,UUCVOUHPUZKRAP-UHFFFAOYSA-N,4,1,0.523,75,583,453.89,4.119,5,0.357,0.56,0.993,0.7964327325063395,0.8027037214721403,0.577650606538277,0.6231067096155164,0.6999734425330684
EOS-4-08402,CCOc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nc1,IDBYITYLGHCWMX-UHFFFAOYSA-N,4,1,0.5,65,904,458.457,3.198,5,0.346,0.68,1.0,0.7991484476732232,0.8332019738194778,0.3517922006716469,0.2673480227537523,0.5628726612295251
EOS-4-08404,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)nc5)cn4)n23)cc1Cl,ABCDWVXUPPNEMZ-UHFFFAOYSA-N,4,1,0.349,82,736,461.848,2.857,5,0.405,0.85,1.0,0.3020098005619903,0.3210455075046261,0.4290487286683572,0.4043502844219039,0.36411358028921936
EOS-4-08405,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)nc(F)n4)n23)cc1Cl,URBNVDLMMHEFDR-UHFFFAOYSA-N,4,1,0.326,74,836,479.838,2.997,5,0.39,0.73,1.0,0.3396785689808786,0.3496933040915633,0.41429648413405523,0.43348639572339115,0.3842886882324721
EOS-4-08406,COc1cc(-c2nnc3cncc(OCc4cc(F)cnc4OC)n23)ccc1-c1cocn1,DVBJZVFOICTSQL-UHFFFAOYSA-N,4,1,0.473,97,383,448.414,3.577,5,0.369,0.67,1.0,0.8205914604893427,0.6521571516688369,0.5712682475498595,0.3602391885408814,0.6010640120622301
EOS-4-08407,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cn2)s1,YIMBGTHXFLZMDH-UHFFFAOYSA-N,4,1,0.482,59,332,452.902,4.99,5,0.374,0.75,1.0,0.7592094441779179,0.8365259406483448,0.7256356658213967,0.7441402234253992,0.7663778185182647
EOS-4-08408,Fc1cc(-c2cncnn2)cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)c1,AEDPHWRFOAMEKQ-UHFFFAOYSA-N,4,1,0.466,51,196,435.81,2.805,5,0.41,0.64,1.0,0.6718011102734562,0.6618120759372216,0.4440065793982592,0.5053971626345007,0.5707542320608594
EOS-4-08409,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)nn2)n1,HKAXRXCJAGCMJS-UHFFFAOYSA-N,4,1,0.409,54,411,449.837,3.113,5,0.398,0.67,0.842,0.7172315125762456,0.7152097183195121,0.31096223699540815,0.4143821533822219,0.539446405318347
EOS-4-08410,Fc1nc(-c2css2)ccc1-c1nnc2cncc(OCCc3cnc(Cl)nc3)n12,CNELKLILEQBZOH-UHFFFAOYSA-N,4,1,0.524,65,271,459.919,4.18,5,0.214,0.6,1.0,0.7879771777122884,0.8365345075731615,0.2964670002056062,0.3506442327462134,0.5679057295593174
EOS-4-08411,Cc1nc(-c2nnc3cncc(OCc4ccc(OC(F)(F)F)cn4)n23)ccc1-c1nccs1,YXTFPYHJRWJSHM-UHFFFAOYSA-N,4,1,0.5,27,122,485.451,4.491,5,0.347,0.68,0.995,0.6593448015900213,0.7288139949283805,0.8082036872044411,0.6494671372764033,0.7114574052498115
EOS-4-08413,N#Cc1ccc(-c2ccnc(-c3nnc4cncc(OCc5ncc(F)s5)n34)c2)cc1F,FJDTWPWUSJYAMT-UHFFFAOYSA-N,4,1,0.451,46,160,447.43,4.039,5,0.401,0.57,1.0,0.502527242820917,0.5654084709752587,0.7738588856144198,0.7769087108491536,0.6546758275649373
EOS-4-08415,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)n1,BAMYFFGVZKYNIC-UHFFFAOYSA-N,4,1,0.451,55,242,414.404,3.065,5,0.432,0.79,1.0,0.804802618052224,0.7336971420738811,0.4143050510588719,0.3506527996710301,0.5758644027140017
EOS-4-08416,CC(=O)NC(C)c1ccc(-c2cncc3nnc(-c4cccnc4-c4ccccc4)n23)c(F)c1,PPCDNWSLQDVOFQ-UHFFFAOYSA-N,4,1,0.35,62,3,452.493,4.857,5,0.412,0.74,0.996,0.2266893975738469,0.22382804468507983,0.7598348296895346,0.6523027893907203,0.4656637653347954
EOS-4-08417,Cc1cc(-c2cncc3nnc(-c4cnc(-c5ccc(Cl)nn5)nc4)n23)cnc1F,IZESEEMYBLAXDH-UHFFFAOYSA-N,4,1,0.321,50,489,419.811,3.201,5,0.41,0.72,0.88,0.30988280446850797,0.34970187101637995,0.38190494140223424,0.44274724145020905,0.3710592145843328
EOS-4-08418,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4F)n23)ccc1-c1cccnn1,OJEOJWVSZLXULN-UHFFFAOYSA-N,4,1,0.505,72,925,477.887,4.066,5,0.323,0.62,1.0,0.9121204852306216,0.8737406620519498,0.6811219244739908,0.614608320197382,0.7703978479884861
EOS-4-08419,Fc1cc(-c2nnc3cncc(COc4ccnc(Cl)n4)n23)ccc1-c1ncon1,UHJZTWYXVCCRMT-UHFFFAOYSA-N,4,1,0.402,73,767,424.783,3.003,5,0.392,0.73,1.0,0.6809677198272908,0.6139658008361318,0.4366904256048249,0.4427558083750257,0.5435949386608183
EOS-4-08420,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3)n12,GSSPPTUJJXRGSH-UHFFFAOYSA-N,4,1,0.522,87,699,452.902,4.724,5,0.371,0.67,1.0,0.785278596395038,0.8533770817627304,0.6592676992666713,0.712399766979645,0.7525807861010213
EOS-4-08421,COc1cc(-c2nnc3cncc(OCCc4cc(F)ncc4F)n23)ccc1-c1cocn1,MMUASCWMKZJSLA-UHFFFAOYSA-N,4,1,0.505,35,777,450.405,3.75,5,0.346,0.61,1.0,0.9176547186621891,0.7288225618531972,0.7622250017133849,0.6435473922280858,0.7630624186142142
EOS-4-08423,CCOc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cnco1,GGPUQBGDQMSIID-UHFFFAOYSA-N,4,1,0.512,35,103,446.442,4.001,5,0.33,0.65,1.0,0.8231958056336097,0.6521657185936536,0.5999760126105134,0.46810533890754574,0.6358607189363306
EOS-4-08424,COc1cc(-c2nnc3cncc(OCc4ccns4)n23)ccc1-c1cc(F)ncc1F,FIFHKUXDILLQEC-UHFFFAOYSA-N,4,1,0.467,16,83,452.446,4.176,5,0.357,0.6,1.0,0.8206000274141594,0.7337057089986978,0.7785706942635872,0.689834487012542,0.7556777294222466
EOS-4-08425,CNC(=O)c1cc(-c2nnc3cncc(OCc4ncc(C)cn4)n23)ccc1OC(F)F,DMOFBIJQVAYMOR-UHFFFAOYSA-N,4,1,0.535,68,12,441.398,2.43,4,0.465,0.82,1.0,0.6072750325543143,0.4872267150983483,0.465184017545062,0.27904187512850387,0.4596819100815571
EOS-4-08426,Cc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)ccc2F)n1,RATLCCXLKUHZNK-UHFFFAOYSA-N,4,1,0.489,37,563,462.876,3.761,5,0.351,0.7,1.0,0.952984716606127,0.9461397436776094,0.42187821259680625,0.4238400383798232,0.6862106778150915
EOS-4-08427,Fc1cnccc1OCc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,AXTVLNFSQBHOSR-UHFFFAOYSA-N,4,1,0.435,14,189,404.43,4.028,5,0.44,0.76,1.0,0.5986995408128298,0.5654170379000754,0.6811304913988074,0.6435559591529024,0.6222007573161538
EOS-4-08428,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,KVBCLYDEZAWMMS-UHFFFAOYSA-N,4,1,0.539,47,164,420.383,2.871,5,0.421,0.7,1.0,0.9058751970392708,0.8298094715920773,0.5805804948255774,0.5683554931121925,0.7211551641422794
EOS-4-08430,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1Cl,TZMVHFUJTCEOCB-UHFFFAOYSA-N,4,1,0.583,90,636,426.839,2.96,4,0.476,0.83,1.0,0.7794273867452539,0.5902268521691454,0.6120639435268316,0.5552737989171407,0.6342479953395929
EOS-4-08431,Cn1nc(C(F)(F)F)nc1CCOc1cncc2nnc(-c3cccc(-c4ncnn4C)c3)n12,UCBQYPVGPGOXEW-UHFFFAOYSA-N,4,1,0.5,36,931,470.419,2.356,5,0.372,0.68,1.0,0.4440836817216092,0.4607206497155781,0.1763330135014735,0.10940819683366458,0.29763638544308135
EOS-4-08432,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)c(F)c2)n1,IFTMNHXOFQISHX-UHFFFAOYSA-N,4,1,0.534,37,619,446.421,3.246,5,0.392,0.65,1.0,0.8946867932287026,0.8818878075526009,0.537805839215955,0.5288534027825372,0.710808460694949
EOS-4-08434,COc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1ccc(F)nn1,CAFMNFWWFWSKSW-UHFFFAOYSA-N,4,1,0.505,72,925,477.887,4.066,5,0.346,0.62,1.0,0.9244140223425399,0.8625351243917483,0.7126225070248784,0.6578712905215544,0.7893607360701802
EOS-4-08435,COc1cc(-c2nnc3cncc(OCCc4cnc(F)cn4)n23)ccc1-c1cccc(F)n1,BTJVOXKZXHSXAQ-UHFFFAOYSA-N,4,1,0.464,15,777,461.432,3.552,5,0.339,0.66,1.0,0.9135682955246385,0.7984202590638064,0.5966691796312795,0.501961825783017,0.7026548900006853
EOS-4-08437,N#Cc1cc(-c2cscn2)cc(-c2nnc3cncc(OCc4cnc(F)s4)n23)c1,DLYPNVFGHCBEEY-UHFFFAOYSA-N,4,1,0.483,97,214,435.469,3.961,5,0.412,0.57,1.0,0.7415444452059489,0.6521742855184703,0.6030515386196971,0.5746350490028099,0.6428513295867315
EOS-4-08438,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cncs5)nc4F)n23)nc1Cl,ANJNNQHBKCBLKY-UHFFFAOYSA-N,4,1,0.416,51,379,458.841,3.61,5,0.29,0.55,1.0,0.6989325611678432,0.7941367966554725,0.43292097868549106,0.48915427318209853,0.6037861524227263
EOS-4-08439,N#Cc1cc(-c2cncs2)cc(-c2nnc3cncc(OCc4cncc(F)c4)n23)c1,KKFUPHOCGRVIKI-UHFFFAOYSA-N,4,1,0.506,16,939,429.44,3.9,5,0.417,0.67,1.0,0.787985744637105,0.637327804811185,0.8162137619080255,0.7886796655472551,0.7575517442258927
EOS-4-08440,OCc1nnc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)cn2)s1,POQILCFNEFOMDT-UHFFFAOYSA-N,4,1,0.427,13,724,473.852,3.921,5,0.409,0.68,0.955,0.662651634569255,0.7731992324035364,0.5512816119525735,0.623115276540333,0.6525619388664246
EOS-4-08441,Cc1ccnc(COc2cncc3nnc(-c4ccc(Cl)c(CO)c4)n23)c1F,NGHKSQRXVGNUGO-UHFFFAOYSA-N,4,1,0.512,90,708,399.813,3.359,4,0.554,0.79,0.999,0.7737303817421698,0.8712219861558494,0.8580203550133644,0.8391731204166952,0.8355364608320197
EOS-4-08442,Fc1cc(-c2nnc3cncc(OCc4ccc(F)c(Cl)n4)n23)ccc1-c1ncon1,XJSOUQYIBHXSCP-UHFFFAOYSA-N,4,1,0.549,73,71,441.785,3.747,5,0.38,0.71,1.0,0.7852871633198547,0.7816890548968543,0.7646665752861352,0.7839849907477212,0.7789069460626414
EOS-4-08443,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)c(F)c1,VKBUVRYKXJELOL-UHFFFAOYSA-N,4,1,0.446,73,610,439.361,2.373,5,0.384,0.63,1.0,0.5842043040230279,0.6230638749914331,0.44401514632307587,0.4301966965937907,0.520370005482832
EOS-4-08444,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3ccsc3)n12,LYGIHXRMTCFGTG-UHFFFAOYSA-N,4,1,0.578,72,386,418.457,4.07,5,0.414,0.77,1.0,0.8674611061613323,0.8595624014803646,0.6120725104516482,0.6083287643067644,0.7368561956000274
EOS-4-08445,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)c(F)c4)n23)cn1,VFLQSULVGXURMW-UHFFFAOYSA-N,4,1,0.359,0,688,450.449,3.014,5,0.514,0.89,0.84,0.36745253923651566,0.4117435405386882,0.45492940853951064,0.4143907203070386,0.41212905215543827
EOS-4-08446,COc1cc(-c2nnc3cncc(OCCc4cc(F)cnc4F)n23)ccc1-c1cocn1,XHJXCEBCTZAMAB-UHFFFAOYSA-N,4,1,0.505,35,777,450.405,3.75,5,0.346,0.63,1.0,0.9474419162497429,0.7562709889658008,0.7283085463641971,0.6146168871221986,0.7616595846754849
EOS-4-08447,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1ncco1,SXRCQGNEXFTBKF-UHFFFAOYSA-N,4,1,0.512,4,799,423.795,3.608,5,0.422,0.67,1.0,0.7794359536700706,0.773207799328353,0.5776591734630937,0.6083373312315811,0.6846600644232745
EOS-4-08448,COc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1cnccn1,VHEIWICCLCOITR-UHFFFAOYSA-N,4,1,0.489,35,467,461.432,3.552,5,0.363,0.63,1.0,0.8561356315536974,0.7601860736070181,0.6622061544787883,0.5714567198958262,0.7124961448838325
EOS-4-08450,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1ncccn1,ZBPAHAULAZACIQ-UHFFFAOYSA-N,4,1,0.49,4,702,454.425,3.242,5,0.38,0.7,1.0,0.8632033445274484,0.8067730107600576,0.580589061750394,0.4365533548077582,0.6717796929614146
EOS-4-08452,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnnc(-c5ccnc(F)c5)c4)n23)c(F)c1F,KUEXSPSOACJFCA-UHFFFAOYSA-N,4,1,0.295,96,26,462.395,3.087,5,0.409,0.49,0.999,0.24306079089849908,0.33494105955726133,0.7670310465355356,0.7176170241929957,0.515662480296073
EOS-4-08453,Fc1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)cc1-c1ncon1,GRVRBYDQZVGAKL-UHFFFAOYSA-N,4,1,0.512,73,325,439.357,3.275,5,0.397,0.72,1.0,0.8696799396888493,0.7816976218216709,0.6811390583236242,0.6983842779795765,0.7577252244534303
EOS-4-08455,COc1cc(-c2nnc3cncc(COc4ccc(F)cn4)n23)ccc1-c1ccnnc1,YKRVEBGLFCYQFO-UHFFFAOYSA-N,4,1,0.41,14,351,429.415,3.37,5,0.405,0.68,1.0,0.6472483037488863,0.6276300459187171,0.667294907819889,0.5355099033650881,0.6194207902131452
EOS-4-08456,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4Cl)n23)c1,XXWYUXXUTIZQOA-UHFFFAOYSA-N,4,1,0.646,91,6,436.838,3.385,5,0.434,0.78,1.0,0.8449386608183127,0.9307364128572407,0.6477708861627031,0.7203413062846961,0.7859468165307382
EOS-4-08457,Cc1cc(Oc2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)ncn1,SEHJTEOBCUKNSO-UHFFFAOYSA-N,4,1,0.505,65,904,444.43,3.233,5,0.373,0.7,1.0,0.7681790144609691,0.7011342608457268,0.4440237132478925,0.3126327873346583,0.5564924439723117
EOS-4-08458,Cc1ccsc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)c(F)c1,XXNXECFTBAKFMA-UHFFFAOYSA-N,4,1,0.684,35,393,431.496,4.984,5,0.379,0.77,1.0,0.7964412994311562,0.8872335686382017,0.7360016448495648,0.6898430539373587,0.7773798917140703
EOS-4-08459,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(C)c4)n23)cc1F,ZBWCEGNTJZUGQR-UHFFFAOYSA-N,4,1,0.39,0,678,422.439,3.74,4,0.495,0.88,1.0,0.3469176204509629,0.3398413405523953,0.6565091494757042,0.5253323966828867,0.4671501267904873
EOS-4-08460,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(OCC5(O)CCOCC5)n34)cc2F)n1,FGUSHSIQELFYEB-UHFFFAOYSA-N,4,1,0.462,78,548,425.424,1.944,5,0.497,0.62,1.0,0.5729216640394764,0.48723528202316496,0.06348947981632513,0.18848947981632513,0.3280339764238229
EOS-4-08461,O=c1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)c[nH]1,GHNLNTMIRYHFQG-UHFFFAOYSA-N,4,1,0.511,65,904,430.403,2.092,5,0.434,0.56,0.999,0.5870570899869783,0.4476303885957097,0.40039236515660337,0.36695565759714893,0.45050887533411005
EOS-4-08462,N#Cc1ncc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cc1F,LKUAYPCRNOHAFV-UHFFFAOYSA-N,4,1,0.494,24,786,430.428,3.295,5,0.417,0.66,1.0,0.7708261942293194,0.7517733534370502,0.5644061407717086,0.4953652936741827,0.6455927455280652
EOS-4-08463,Cc1cc(-c2ccc(-c3nnc4cncc(-c5cc(F)cc(C#N)c5)n34)cn2)ccn1,BKONJCQLGGCVOJ-UHFFFAOYSA-N,4,1,0.326,96,478,407.412,4.235,5,0.444,0.79,1.0,0.3350095949557947,0.4607292166403948,0.8751028030978,0.8620982112260983,0.6332349564800219
EOS-4-08464,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cc2F)n1,IYALTOLGESWRFW-UHFFFAOYSA-N,4,1,0.551,37,626,446.421,3.246,5,0.366,0.61,1.0,0.9244225892673565,0.8927335343705024,0.49284661777808236,0.47411932012884656,0.6960305153861969
EOS-4-08466,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(F)(F)c5ccnn5C)cn4)n23)cc1F,VGJNRUMEQSFZRD-UHFFFAOYSA-N,4,1,0.343,74,768,478.438,3.226,5,0.416,0.77,1.0,0.23204372558426428,0.29053012130765543,0.9116921389897882,0.7956103077239394,0.5574690734014118
EOS-4-08467,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)ccc1F,QJKNHDOCOANHNQ-UHFFFAOYSA-N,4,1,0.567,90,636,421.367,2.057,4,0.504,0.73,1.0,0.7708347611541361,0.39243369200191897,0.5870056884380783,0.5155832362415187,0.566464344458913
EOS-4-08468,Cc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,GPQOWDCRXLDEBA-UHFFFAOYSA-N,4,1,0.5,65,263,446.421,3.246,5,0.392,0.65,1.0,0.8585258035775478,0.7984288259886231,0.40390480433143716,0.38587142759235143,0.61168271537249
EOS-4-08470,Fc1cccc(-c2cncnc2-c2nnc3cncc(-c4cn(-c5ccnc(F)c5F)nn4)n23)c1,RKBJSZAZHQDZEO-UHFFFAOYSA-N,4,1,0.289,10,872,472.394,3.308,6,0.359,0.57,0.216,0.023387704749503118,0.14540641491330272,0.6030601055445137,0.6983928449043931,0.36756176752792813
EOS-4-08471,Clc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,HVWLCYGEAJTIGN-UHFFFAOYSA-N,4,1,0.615,35,982,434.912,4.585,5,0.389,0.72,1.0,0.8855287505996847,0.9148276334726887,0.6673034747447056,0.6930385168939758,0.7901745939277637
EOS-4-08472,FC(F)Oc1ccc(-c2nnc3cncc(OCc4csc(-c5ccsn5)n4)n23)cc1,CDXZNTRXVPSLDH-UHFFFAOYSA-N,4,1,0.747,1,996,458.475,4.552,5,0.354,0.73,1.0,0.5537745870742239,0.7645552052635186,0.59998457953533,0.5585977657460078,0.61922803440477
EOS-4-08473,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)c1F,UYYPTZMBJOWUON-UHFFFAOYSA-N,4,1,0.473,47,164,454.828,3.525,5,0.418,0.68,1.0,0.847328832842163,0.8595709684051813,0.6757675964635734,0.7280686724693304,0.7776840175450621
EOS-4-08475,COc1cc(-c2nnc3cncc(OCCc4ccccc4F)n23)ccc1-c1cnoc1,QRZMYNHWIMCCRO-UHFFFAOYSA-N,4,1,0.74,91,955,431.427,4.216,5,0.381,0.73,1.0,0.8652251387841821,0.7060002741415942,0.8041001302172572,0.7150383798231786,0.7725909807415531
EOS-4-08476,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)c1Cl,WSYYCEFJWVQAFA-UHFFFAOYSA-N,4,1,0.522,87,699,452.902,4.724,5,0.371,0.59,1.0,0.7879943115619217,0.859579535329998,0.6565177164005209,0.7176255911178123,0.7554292886025633
EOS-4-08477,Cc1nncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)n1,VLTMJDZJARJFDC-UHFFFAOYSA-N,4,1,0.556,37,626,446.421,3.246,5,0.366,0.63,1.0,0.9383010074703585,0.8872421355630183,0.5902097183195121,0.5586063326708245,0.7435897985059283
EOS-4-08478,O=C(NCC(F)F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,VDFPKRYIIZZKIN-UHFFFAOYSA-N,4,1,0.578,90,636,458.856,3.456,4,0.434,0.79,1.0,0.7505825508875335,0.5515043519978069,0.69991775752176,0.6259937632787335,0.6569996059214585
EOS-4-08479,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(C(F)F)n4)n23)cc1F,WLXCHLLSRVRBFA-UHFFFAOYSA-N,4,1,0.362,66,999,412.375,3.68,4,0.541,0.83,1.0,0.3583715989308478,0.4297683503529573,0.7622335686382017,0.6637653347954219,0.5535347131793571
EOS-4-08480,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)c(F)n2)nc1,XTWIAIXPJYRJHC-UHFFFAOYSA-N,4,1,0.446,73,263,467.827,2.986,5,0.347,0.62,1.0,0.7991570145980399,0.8794205332054006,0.31854396545815916,0.41439928723185526,0.6028802001233637
EOS-4-08481,Clc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,BRGQHAMCQBRTIA-UHFFFAOYSA-N,4,1,0.556,35,143,434.912,4.585,5,0.364,0.75,1.0,0.7505911178123501,0.8365430744979782,0.5069991775752176,0.5586148995956411,0.6631870673702968
EOS-4-08482,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)nc1Cl,HKROWDZCBMOREO-UHFFFAOYSA-N,4,1,0.57,11,275,452.902,4.724,5,0.347,0.6,1.0,0.931995750805291,0.9339147419642245,0.6919419505174422,0.717634158042629,0.8188716503323967
EOS-4-08484,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)cc1C#N,SOXSZFSXVSBHHW-UHFFFAOYSA-N,4,1,0.567,90,636,451.849,2.832,4,0.478,0.62,0.998,0.747626961825783,0.5099119320128846,0.7150383798231786,0.6523113563155369,0.6562221574943459
EOS-4-08485,Cc1cnc(-c2ccc(-c3nnc4cncc(F)n34)c(-c3ccc(Cl)nn3)n2)nc1,PSNBNIQBLLLFHX-UHFFFAOYSA-N,4,1,0.44,50,844,419.811,3.201,5,0.438,0.68,0.938,0.33968713590569527,0.42527928174902335,0.21347919950654512,0.30971146597217464,0.3220392707833596
EOS-4-08486,Fc1cnc(-c2ccc(-c3nnc4cncc(COc5cnc(Cl)cn5)n34)cn2)nc1,VVYQNHASQTZHAG-UHFFFAOYSA-N,4,1,0.369,7,930,435.81,2.805,5,0.41,0.62,1.0,0.5200980056199027,0.6188061133575492,0.3038859570968405,0.32184223151257624,0.4411580768967172
EOS-4-08487,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)c(F)cn4)n23)cc1F,HNJFVHZPIFUCKR-UHFFFAOYSA-N,4,1,0.521,90,133,458.856,3.489,4,0.455,0.81,1.0,0.6269018573093003,0.4872438489479816,0.6477794530875197,0.6146254540470153,0.5941376533479542
EOS-4-08488,OCc1ccc(COc2cncc3nnc(-c4cc(F)cc(-c5cscn5)c4)n23)cn1,FXJLDUYRTCJHFB-UHFFFAOYSA-N,4,1,0.534,97,214,434.456,3.52,5,0.437,0.72,1.0,0.5408385306010555,0.4695188815022959,0.6836148995956411,0.6174354053868824,0.5778519292714687
EOS-4-08489,Fc1ccnnc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cn4)c3)n12,GTZDHNMRFVJZFM-UHFFFAOYSA-N,4,1,0.489,75,583,448.849,3.452,5,0.389,0.65,1.0,0.8100198752655746,0.8181670207662257,0.4257247618394901,0.5155918031663355,0.6423758652594064
EOS-4-08490,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)cc2F)n1,GRYCUWJCJJJIPZ-UHFFFAOYSA-N,4,1,0.506,73,795,462.876,3.761,5,0.375,0.71,1.0,0.9409910218627922,0.9307449797820574,0.36316050990336507,0.392407991227469,0.6568261256939208
EOS-4-08491,C#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(C#N)c4)n23)nc1,WYSRCSSLTUBSML-UHFFFAOYSA-N,4,1,0.561,90,636,400.829,3.314,4,0.477,0.73,1.0,0.9508858200260435,0.9667860324857789,0.8487081077376465,0.8410664108011788,0.901861592762662
EOS-4-08492,Cc1nc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ccc1-c1nccs1,VXQPJBGJCQALLP-UHFFFAOYSA-N,4,1,0.416,13,110,422.42,4.689,5,0.418,0.71,0.999,0.5987081077376465,0.6470855321773696,0.6389640874511685,0.6409259132341855,0.6314209101500925
EOS-4-08493,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(F)c4)n23)c1,NXFSRYIKCKTLIO-UHFFFAOYSA-N,4,1,0.545,47,164,420.383,2.871,5,0.45,0.54,1.0,0.8928020697690358,0.7860924542526215,0.6151651703104654,0.6115156603385649,0.7263938386676719
EOS-4-08494,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5F)n34)cn2)cn1,XCMOSUPBNQLHNU-UHFFFAOYSA-N,4,1,0.654,84,56,427.443,3.712,5,0.408,0.7,1.0,0.8100284421903914,0.8737492289767665,0.5308323624151875,0.48314885888561443,0.67443972311699
EOS-4-08495,Fc1c(Cl)ccnc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)cc3)n12,ULYGFCXAKYVJGT-UHFFFAOYSA-N,4,1,0.541,35,922,452.902,4.724,5,0.371,0.64,1.0,0.8892210951956686,0.9087365499280379,0.7024107326434104,0.7441487903502159,0.8111292920293333
EOS-4-08496,COc1cc(-c2nnc3cncc(OCc4cnc(C(F)F)s4)n23)ccc1-c1ccsc1,IYPVYABDXAYUBP-UHFFFAOYSA-N,4,1,0.529,16,83,471.514,5.502,5,0.312,0.55,1.0,0.7296706874100473,0.6714670002056062,0.7230313206771297,0.5841100678500446,0.677069769035707
EOS-4-08497,Fc1ccncc1CCOc1cncc2nnc(-c3cc(-c4cscn4)ncc3Cl)n12,GCNPYCXETCGBOU-UHFFFAOYSA-N,4,1,0.512,75,583,453.89,4.119,5,0.382,0.69,1.0,0.7708433280789527,0.8533856486875471,0.5805976286752107,0.634903365088068,0.7099324926324446
EOS-4-08498,Fc1cnncc1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3Cl)n12,DZDZUANSANFEEK-UHFFFAOYSA-N,4,1,0.534,47,164,437.826,2.78,5,0.43,0.64,1.0,0.8381279555890617,0.865173737235282,0.4791138372969639,0.5355184702899047,0.679483500102803
EOS-4-08499,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NCC)c(F)c4)n23)c(Cl)c1,OOJGHVVOAUTRCF-UHFFFAOYSA-N,4,1,0.375,0,682,466.904,3.75,4,0.45,0.84,1.0,0.4119834144335549,0.42528784867384006,0.5032125968062504,0.417500514015489,0.43949609348228363
EOS-4-08500,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,FNJKAKLARMNMGI-UHFFFAOYSA-N,4,1,0.58,35,202,419.445,3.465,5,0.416,0.63,1.0,0.7296792543348639,0.7732163662531698,0.5576982386402577,0.5552823658419573,0.6539690562675622
EOS-4-08502,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c(F)c2)ncc1F,KMYKQVZKVQSDTE-UHFFFAOYSA-N,4,1,0.534,37,325,446.421,3.246,5,0.392,0.73,1.0,0.9440751147967925,0.901797340826537,0.5102803097800014,0.4681139058323624,0.7060666678089232
EOS-4-08503,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NCCF)s4)n23)c(F)c1F,ZXPRJOUXDWQQSI-UHFFFAOYSA-N,4,1,0.336,66,129,460.441,2.857,4,0.461,0.66,0.975,0.2943167020766226,0.2905386882324721,0.34023541909396204,0.270115139469536,0.2988014872181482
EOS-4-08504,Fc1ccc(-c2nnc3cncc(OCc4cccnc4)n23)cc1-c1cccnn1,ZCZXTOFXFZSTDP-UHFFFAOYSA-N,4,1,0.542,97,389,399.389,3.361,5,0.447,0.72,1.0,0.8963059420190529,0.747395654855733,0.6811476252484409,0.6608011788088548,0.7464126002330205
EOS-4-08505,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)ccn2)[nH]c1F,RNBITRJKZHWYLP-UHFFFAOYSA-N,4,1,0.483,55,239,420.383,3.137,5,0.465,0.56,1.0,0.7234939346172298,0.569966074977726,0.5410013021725721,0.4953738605989994,0.5824587930916318
EOS-4-08506,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5cnc(F)s5)ncn4)n23)ccc1Cl,IIRSHCLNQUXIHW-UHFFFAOYSA-N,4,1,0.473,4,675,464.873,3.948,5,0.384,0.6,1.0,0.8126756219587417,0.9107326434103215,0.7150469467479953,0.7203498732095127,0.7897012713316428
EOS-4-08507,N#Cc1cc(-c2ccsn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,IDKIFWKAFYTWMN-UHFFFAOYSA-N,4,1,0.505,11,201,443.467,3.942,5,0.366,0.66,0.995,0.8404238914399287,0.8365516414227949,0.6836234665204578,0.6608097457336715,0.7553521862792132
EOS-4-08509,Fc1c(Cl)ccc(CCOc2cncc3nnc(-c4ccncc4)n23)c1F,ZWFNPIHZEHWTSL-UHFFFAOYSA-N,4,1,0.768,90,281,387.777,3.739,4,0.488,0.76,1.0,0.8836782948392845,0.8898122130080186,0.9359108354465081,0.9361935439654582,0.9113987218148174
EOS-4-08510,N#Cc1cc(-c2ccsc2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,MUNPOSCOJLRSLV-UHFFFAOYSA-N,4,1,0.565,35,669,458.934,5.061,5,0.33,0.66,1.0,0.907545747378521,0.8846292234939346,0.8549705297786306,0.862106778150915,0.8773130697005003
EOS-4-08511,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccncc5)nc4Cl)n23)n1,UZQFJUQIPPGGMS-UHFFFAOYSA-N,4,1,0.484,58,143,465.304,3.967,5,0.274,0.66,1.0,0.7081248714961278,0.8143290384483586,0.4218867795216229,0.5019703927078336,0.6115777705434857
EOS-4-08512,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cc2F)n1,ZHESLWJOVCSJAB-UHFFFAOYSA-N,4,1,0.545,37,619,446.421,3.246,5,0.392,0.61,1.0,0.8910115824823521,0.8683263655678157,0.5410098690973888,0.5288619697073539,0.7073024467137277
EOS-4-08514,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3Cl)n12,BCLWFJRYQJHTBK-UHFFFAOYSA-N,4,1,0.534,47,164,436.838,3.385,5,0.434,0.69,1.0,0.867469673086149,0.862543691316565,0.6356401206223015,0.6694709067233225,0.7587810979370846
EOS-4-08516,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ccc(Cl)c(-c5nccs5)n4)n23)cn1,IRXQDHKUQNWKNH-UHFFFAOYSA-N,4,1,0.495,27,390,487.879,4.539,5,0.33,0.82,0.993,0.6780035638407237,0.8737577959015832,0.6782862723596738,0.6523199232403536,0.7205918888355836
EOS-4-08517,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1ccncc1,VNHGMUKNXXMHOW-UHFFFAOYSA-N,4,1,0.575,11,103,442.454,4.018,5,0.376,0.71,1.0,0.8473373997669796,0.8027122883969571,0.6999263244465767,0.6051590021245974,0.7387837536837777
EOS-4-08518,CCNC(=O)c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1,KAQFKIDSRXOYEL-UHFFFAOYSA-N,4,1,0.58,48,17,409.396,3.398,4,0.528,0.86,1.0,0.8874134740593517,0.5283051195942704,0.764675142210952,0.6665067507367556,0.7117251216503324
EOS-4-08519,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(F)c2)ncc1F,OFVVJTISVFKFMS-UHFFFAOYSA-N,4,1,0.506,37,795,446.421,3.246,5,0.392,0.72,1.0,0.9010948529915701,0.8766619834144336,0.3402439860187787,0.3280189843053937,0.611504951682544
EOS-4-08520,FC(F)c1cnc(COc2cncc3nnc(-c4cc(-c5ncccn5)ccn4)n23)cn1,LXBLNFZQAIYUCF-UHFFFAOYSA-N,4,1,0.418,7,949,433.382,2.95,5,0.398,0.69,1.0,0.49734425330683296,0.44298711534507573,0.4329295456103077,0.33781097937084503,0.42776797340826533
EOS-4-08521,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cc2F)n1,CDUYPCBIYFSWSL-UHFFFAOYSA-N,4,1,0.495,37,325,462.876,3.761,5,0.351,0.67,1.0,0.9500805290932767,0.9439294770749092,0.42573332876430675,0.41750908094030564,0.6843131039681994
EOS-4-08523,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1cocn1,MGHJBQKOWWLKFW-UHFFFAOYSA-N,4,1,0.511,35,777,450.405,3.75,5,0.346,0.61,1.0,0.9075543143033377,0.7288311287780138,0.7598433966143513,0.6320077445000343,0.7570591460489342
EOS-4-08524,COc1cc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)ccc1-c1cnco1,LFXUQUATVWXURH-UHFFFAOYSA-N,4,1,0.489,97,83,452.833,4.221,5,0.377,0.66,1.0,0.8075783016928243,0.7337142759235145,0.7872489891028717,0.7176427249674456,0.761546072921664
EOS-4-08525,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)cn1,UWKBLHWAEMUIIR-UHFFFAOYSA-N,4,1,0.344,82,914,444.386,2.756,5,0.373,0.74,1.0,0.4825577410732643,0.532802755123021,0.21679459941059556,0.12113631690768281,0.3383228531286409
EOS-4-08526,Fc1cnccc1OCc1cncc2nnc(-c3ccc(-c4ccncc4)nc3)n12,KQXLHMUWGGAQQO-UHFFFAOYSA-N,4,1,0.396,14,767,399.389,3.361,5,0.447,0.81,1.0,0.5987166746624631,0.5801435816599273,0.6506665067507368,0.605167569049414,0.6086735830306353
EOS-4-08527,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)ncc1Cl,GXLWSGJGXPOCGW-UHFFFAOYSA-N,4,1,0.578,35,922,452.902,4.724,5,0.371,0.67,1.0,0.9329723802343911,0.9148362003975054,0.7485264889315332,0.7698666986498527,0.8415504420533205
EOS-4-08529,CC(C)(C)c1ncc(Cc2cncc3nnc(-c4ncccn4)n23)c(CCc2cccc(F)c2)n1,YGLDINNOONCMAC-UHFFFAOYSA-N,4,1,0.352,85,580,468.54,4.184,5,0.369,0.67,0.731,0.25373517922006716,0.19458056336097596,0.10204920841614694,0.07065999588787608,0.15525623672126654
EOS-4-08530,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)cn1,CCFXVRVOLPSQTI-UHFFFAOYSA-N,4,1,0.5,59,445,437.385,3.583,5,0.391,0.7,0.995,0.7624648756082517,0.7430008224247824,0.8438763621410459,0.8084178603248577,0.7894399801247345
EOS-4-08531,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)nc1,KAUASRLLTIGNNS-UHFFFAOYSA-N,4,1,0.573,90,683,442.401,2.785,4,0.451,0.83,0.999,0.5729302309642931,0.18586800082242477,0.5712768144746762,0.5019789596326503,0.4580135014735111
EOS-4-08532,COc1cc(-c2nnc3cncc(COc4cccnc4Cl)n23)ccc1-c1cncnc1,AXJYXFHACFYNJX-UHFFFAOYSA-N,4,1,0.382,14,767,445.87,3.884,5,0.363,0.64,1.0,0.5842128709478446,0.48725241587279833,0.6727263381536563,0.5841186347748613,0.5820775649372901
EOS-4-08533,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ncc[nH]1,QZJKNDDEISDLKD-UHFFFAOYSA-N,4,1,0.515,15,729,431.431,3.346,5,0.394,0.61,1.0,0.8632119114522651,0.6188146802823659,0.5999931464601467,0.46474710437941197,0.6366917106435473
EOS-4-08534,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5COC5)cc4F)n23)c(F)c1F,ZCMCWJUXADOKHZ-UHFFFAOYSA-N,4,1,0.35,0,129,482.422,2.364,5,0.452,0.83,1.0,0.4699900623672127,0.43442875745322457,0.6919505174422589,0.6051761359742307,0.5503863683092317
EOS-4-08535,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cn1,CZQJDNCAOSDPFP-UHFFFAOYSA-N,4,1,0.517,35,904,427.443,3.712,5,0.408,0.76,1.0,0.8674782400109656,0.8595881022548146,0.5070077445000343,0.45237646494414363,0.6716126379274896
EOS-4-08537,COc1cc(-c2nnc3cncc(CCc4ncc(F)cn4)n23)ccc1-c1ccsc1,IIZFDEFOHIUDLM-UHFFFAOYSA-N,4,1,0.419,35,172,432.484,4.243,5,0.399,0.71,1.0,0.659353368514838,0.5146408745116853,0.4143136179836886,0.40152319923240354,0.49745776506065387
EOS-4-08538,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)nc3F)n12,CXEWSCKAEJDCTR-UHFFFAOYSA-N,4,1,0.654,19,73,421.367,3.136,5,0.385,0.65,1.0,0.802301076005757,0.7106092796929614,0.5176307312727023,0.5323829758070043,0.6407310156946062
EOS-4-08539,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,VTWCHSBKTZGZQX-UHFFFAOYSA-N,4,1,0.658,11,56,418.457,4.07,5,0.387,0.72,1.0,0.7991655815228565,0.8143376053731752,0.4651925844698787,0.4741278870536632,0.6382059146048934
EOS-4-08540,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3cc(F)c(F)nn3)n12,OBIDBTHNCKQFFR-UHFFFAOYSA-N,4,1,0.506,37,832,456.413,3.139,5,0.384,0.64,1.0,0.7907785621273388,0.8683349324926325,0.47912240422178054,0.5187015968747858,0.6642343739291344
EOS-4-08541,Fc1ccnc(F)c1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,WUZYVIJHWCGROB-UHFFFAOYSA-N,4,1,0.438,2,422,423.408,3.562,5,0.399,0.68,1.0,0.6927815091494757,0.5699746419025427,0.6063241038996642,0.5900897813720787,0.6147925090809403
EOS-4-08542,Fc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5cocn5)c4)n23)cs1,ACEVMTOONYTMGE-UHFFFAOYSA-N,4,1,0.554,4,31,412.381,3.76,5,0.434,0.74,1.0,0.7737389486669864,0.7984373929134397,0.6356486875471181,0.617443972311699,0.7063172503598109
EOS-4-08543,FCc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)on1,DNZPMFJJBOPEON-UHFFFAOYSA-N,4,1,0.541,97,109,420.379,4.029,5,0.41,0.77,1.0,0.6412857240764855,0.652182852443287,0.6836320334452745,0.6637739017202385,0.6602186279213214
EOS-4-08545,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)c(Cl)c4)n23)c1F,IEEPZBAOXHHEGO-UHFFFAOYSA-N,4,1,0.5,47,164,454.828,3.525,5,0.418,0.57,1.0,0.8963145089438695,0.8712305530806662,0.6782948392844904,0.7309814269069974,0.7942053320540059
EOS-4-08547,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ccnnc5)c4)n23)ccc1F,YEYKTXASMYXYHH-UHFFFAOYSA-N,4,1,0.506,4,702,425.387,2.628,5,0.417,0.64,1.0,0.6184805702145157,0.6521914193681037,0.5712853813994928,0.5019875265574669,0.5859862243848948
EOS-4-08548,Cc1nc(-c2cccnc2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,VAOGIAIVYYQLQT-UHFFFAOYSA-N,4,1,0.489,35,201,427.443,3.712,5,0.382,0.73,1.0,0.8674868069357823,0.8104139538071414,0.4617315468439449,0.4209272839421561,0.6401398978822562
EOS-4-08549,COc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1ccsc1,LAOYBRJURFQUAF-UHFFFAOYSA-N,4,1,0.583,35,352,447.495,4.684,5,0.337,0.71,1.0,0.8979936262079364,0.8259200877253101,0.7692841477623192,0.6694794736481393,0.7906693338359263
EOS-4-08550,NC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1F,YYURICXXVBZQKR-UHFFFAOYSA-N,4,1,0.568,90,636,431.79,2.233,4,0.496,0.69,1.0,0.6412942910013022,0.46073778356521145,0.47220889589472964,0.5054057295593174,0.5199116750051402
EOS-4-08551,COc1cc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)ccc1-c1ncns1,MXLWBJJQKWOGIG-UHFFFAOYSA-N,4,1,0.511,59,383,452.446,4.176,5,0.382,0.58,1.0,0.8449472277431294,0.719801590021246,0.7933657734219725,0.7228599821807964,0.7702436433417861
EOS-4-08553,FCc1nccc(COc2cncc3nnc(-c4ccnc(-c5ncc(Cl)cn5)c4)n23)n1,GNFYOTATLDGLOF-UHFFFAOYSA-N,4,1,0.489,7,420,449.837,3.135,5,0.385,0.66,1.0,0.6015266260023302,0.6090483859913646,0.192593036803509,0.21711157562881228,0.405069906106504
EOS-4-08554,Fc1cnc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)nc1Cl,WYROBHMRUKDCHO-UHFFFAOYSA-N,4,1,0.422,24,379,475.296,4.125,5,0.276,0.61,1.0,0.6718096771982729,0.7517819203618669,0.41072407648550474,0.5218884929065862,0.5890510417380577
EOS-4-08556,N#Cc1nc(COc2cncc3nnc(-c4cc(-c5cscn5)ncc4Cl)n23)ccc1F,MOWJJTNUSOOWOR-UHFFFAOYSA-N,4,1,0.489,24,702,464.873,3.948,5,0.384,0.7,1.0,0.7049893770132273,0.8067815776848742,0.6210763484339662,0.6349119320128846,0.6919398087862381
EOS-4-08557,CCn1nc(C(F)F)cc1-c1cncc2nnc(-c3ncncc3-c3cccc(F)c3)n12,JLJUCJMSULHHDH-UHFFFAOYSA-N,4,1,0.3,50,978,436.401,4.208,5,0.41,0.72,0.993,0.16281440614077172,0.25422349393461724,0.6266105818655335,0.6550784730313207,0.4246817387430608
EOS-4-08558,COc1ccc(C(=O)Oc2ccc(-c3nnc4cncc(Cc5ccc(Cl)cn5)n34)cn2)cc1,VZXRXJDQWXHVOC-UHFFFAOYSA-N,4,1,0.402,14,357,472.892,4.053,5,0.341,0.84,1.0,0.4282520046604071,0.4737595092865465,0.5934308820505791,0.45868172160921117,0.48853102940168597
EOS-4-08559,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)c(F)c1F,DXQXPIHFUZJPSD-UHFFFAOYSA-N,4,1,0.305,74,914,478.394,3.213,5,0.409,0.63,0.743,0.5589061750394079,0.590235419093962,0.6325645946131176,0.5121050647659516,0.5734528133781098
EOS-4-08560,Cn1cnnc1-c1cc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)ccc1F,ZWQODXNEXCLNIH-UHFFFAOYSA-N,4,1,0.489,36,52,453.388,3.033,5,0.386,0.56,1.0,0.5959838256459461,0.7288396957028305,0.5902182852443287,0.5288705366321705,0.610978085806319
EOS-4-08561,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnon4)cc3F)n12,XODDACPYNVHRIP-UHFFFAOYSA-N,4,1,0.547,35,161,421.367,3.136,5,0.412,0.73,1.0,0.8023096429305736,0.6958656020834761,0.704946542389144,0.6898516208621753,0.7232433520663423
EOS-4-08562,Cc1ccnc(-c2ncncc2-c2nnc3cncc(OCCc4ccncc4F)n23)c1,YAJFXZRDGOZYCT-UHFFFAOYSA-N,4,1,0.484,65,904,428.431,3.107,5,0.406,0.64,1.0,0.704997943938044,0.6861421424165581,0.38933246521828524,0.3636916592419985,0.5360410527037215
EOS-4-08563,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4)n23)c(F)c1F,CAHWVYGVKXVMGK-UHFFFAOYSA-N,4,1,0.352,0,901,466.423,2.89,5,0.499,0.83,1.0,0.3925193612500857,0.42977691727777395,0.4218953464464396,0.46180008224247826,0.4264979268041944
EOS-4-08564,Cc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3cncc(F)c3)n12,YDYTZWLPHSIHNK-UHFFFAOYSA-N,4,1,0.484,65,263,446.421,3.246,5,0.392,0.66,1.0,0.8855373175245014,0.8027208553217737,0.3783839353025838,0.3700311836063327,0.609168322938798
EOS-4-08565,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)n3)n12,WQNLKWCFEDHUBQ-UHFFFAOYSA-N,4,1,0.5,20,832,448.849,3.452,5,0.389,0.68,1.0,0.8542594750188472,0.9127373038174217,0.4895140840243986,0.5586234665204578,0.7037835823452814
EOS-4-08566,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc5ccc(F)c(F)c5nn4)n23)cc1F,JLVARIZOAMSXHW-UHFFFAOYSA-N,4,1,0.309,22,768,449.396,3.569,5,0.451,0.64,1.0,0.39041189774518537,0.4563001165101775,0.7049551093139607,0.7096840518127613,0.5653377938455212
EOS-4-08567,CCc1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ncc(F)cn1,LNROFSQXIKWEEX-UHFFFAOYSA-N,4,1,0.478,46,717,445.433,4.063,5,0.389,0.78,1.0,0.7708518950037695,0.6418854088136523,0.4722174628195463,0.4922812007401823,0.5943089918442876
EOS-4-08568,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4F)n23)ccc1-c1cnco1,ICGVRARNGPQULO-UHFFFAOYSA-N,4,1,0.545,35,103,450.405,3.75,5,0.346,0.61,1.0,0.879900280995134,0.6811219244739908,0.7809094647385375,0.6494757042012199,0.7478518436022206
EOS-4-08569,CN1CCC(NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(Cl)cc5F)n34)cc2)C(F)C1,QBKUOSINFCHDEI-UHFFFAOYSA-N,4,1,0.359,0,999,482.922,4.023,5,0.475,0.65,1.0,0.2747755465698033,0.30553080666164073,0.672734905078473,0.7597662942910013,0.5032018881502296
EOS-4-08570,CCOc1ncccc1COc1cncc2nnc(-c3cnc(Cl)c(-c4ncccn4)c3)n12,VPWSGBGOUMEGAZ-UHFFFAOYSA-N,4,1,0.411,55,242,460.885,3.669,5,0.335,0.62,1.0,0.6384415050373518,0.6911280926598589,0.27047495031183605,0.219930093893496,0.45499366047563566
EOS-4-08571,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,LCBGEFFJYBYRGK-UHFFFAOYSA-N,4,1,0.511,37,832,438.81,3.045,5,0.368,0.67,1.0,0.8427198272907956,0.8221506408059763,0.3856572544719348,0.4144078541566719,0.6162338941813447
EOS-4-08572,COc1cc(-c2nnc3cncc(OCCc4cc(F)ncc4Cl)n23)ccc1-c1cocn1,ZKKSQNFDDKUPST-UHFFFAOYSA-N,4,1,0.505,35,777,466.86,4.264,5,0.328,0.61,1.0,0.9282177369611404,0.8181755876910424,0.7646837091357687,0.689860187786992,0.8002343053937359
EOS-4-08573,CC(F)(c1ncc(Cc2cncc3nnc(-c4ccc(Br)cc4)n23)nn1)C1CCCO1,HHSIXYKKTURKDI-UHFFFAOYSA-N,4,1,0.384,78,5,484.333,3.693,5,0.427,0.53,1.0,0.3098913713933247,0.4387464875608252,0.1634826262764718,0.2938797889109725,0.3015000685353985
EOS-4-08574,Cn1cnnc1-c1ncc(NCc2cncc3nnc(-c4cc(Cl)ccc4F)n23)cc1F,WIYCYELGIRVESV-UHFFFAOYSA-N,4,1,0.299,22,252,453.844,3.526,5,0.434,0.82,1.0,0.12706462888081693,0.23907717085874855,0.48258344184771435,0.5714652868206429,0.3550476321019807
EOS-4-08575,Cn1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccccc5Cl)n34)cc2F)n1,ZEWRRSAFOYAVFK-UHFFFAOYSA-N,4,1,0.705,91,660,448.889,4.606,5,0.379,0.77,1.0,0.8696885066136659,0.914844767322322,0.8374426016037283,0.8467291481049962,0.8671762559111781
EOS-4-08577,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnccn5)cc4)n23)nnc1Cl,KUEOAUSCRHQCOY-UHFFFAOYSA-N,4,1,0.512,37,846,448.849,3.452,5,0.389,0.64,1.0,0.8928106366938524,0.9127458707422383,0.482592008772531,0.5355270372147214,0.7059188883558358
EOS-4-08578,Fc1cc(-c2cncs2)cc(-c2nnc3cncc(OCc4ncncc4F)n23)c1,CAXWBHUJFRSEDR-UHFFFAOYSA-N,4,1,0.554,73,439,423.408,3.562,5,0.427,0.62,1.0,0.5842214378726612,0.5801521485847441,0.6389726543759852,0.6466486190117195,0.6124987149612775
EOS-4-08579,Cc1cc(-c2ccc(-c3nnc4cncc(Br)n34)c(F)n2)nnc1F,KAPWBYLXUXVYTQ-UHFFFAOYSA-N,4,1,0.493,68,861,404.178,2.992,4,0.478,0.64,0.994,0.30201836748680694,0.4117521074635049,0.4512456308683435,0.5019960934822836,0.4167530498252347
EOS-4-08580,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1F,LOAQKGPJYIDWAB-UHFFFAOYSA-N,4,1,0.489,26,125,451.412,3.626,5,0.392,0.71,1.0,0.8542680419436639,0.7562795558906175,0.8104396545815914,0.7907871290521554,0.8029435953670071
EOS-4-08581,Fc1ccc(-c2ccc(-c3nnc4cncc(-c5cc(-c6ncc(F)nn6)cnn5)n34)cn2)cn1,IPZHPMSIIGQSAW-UHFFFAOYSA-N,4,1,0.306,70,719,467.403,2.836,6,0.356,0.6,0.577,0.27478411349461995,0.3690631211020492,0.3705280652456994,0.42093585086697277,0.3588277876773353
EOS-4-08582,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)cnc1Cl,OWYLWYOMEALOIL-UHFFFAOYSA-N,4,1,0.575,35,919,469.357,5.238,5,0.317,0.67,1.0,0.9043759851963539,0.9239942430265232,0.7716828867109862,0.8152542663285587,0.8538268453156055
EOS-4-08583,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)c(F)c5)cc4)n23)cc1,UCKNCJFDAYBWPX-UHFFFAOYSA-N,4,1,0.457,62,504,484.466,4.348,5,0.386,0.87,1.0,0.3374426016037283,0.34499862929202935,0.8270166541018436,0.7066513604276609,0.5540273113563156
EOS-4-08584,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5nnco5)c4)n23)c1F,HIJPFKVZHPNZIO-UHFFFAOYSA-N,4,1,0.524,24,910,407.34,3.094,5,0.438,0.65,1.0,0.7708604619285861,0.5515129189226236,0.6973048454526763,0.6784319100815571,0.6745275340963608
EOS-4-08585,Oc1ncc(F)cc1COc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12,ACXXSLDDXJCYOD-UHFFFAOYSA-N,4,1,0.467,16,832,439.407,3.268,5,0.444,0.65,1.0,0.5537831539990405,0.565425604824892,0.6325731615379343,0.6019806730176136,0.5884406483448701
EOS-4-08586,CC(F)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1Cl,CNLGGDGAOUPCGD-UHFFFAOYSA-N,4,1,0.37,0,999,453.88,5.174,5,0.452,0.86,1.0,0.39893598793776985,0.4518881502295936,0.8763535741210335,0.9041275443766705,0.6578263141662668
EOS-4-08587,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1cccnn1,PWNUISVFQVLSMU-UHFFFAOYSA-N,4,1,0.495,72,925,477.887,4.066,5,0.323,0.63,1.0,0.9256733602905901,0.8625522582413817,0.7230398876019464,0.6608183126584881,0.7930209546981015
EOS-4-08588,Clc1ccc(-c2cc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)ccn2)nc1,ONLLYBGWFRJAEG-UHFFFAOYSA-N,4,1,0.47,51,199,451.277,3.924,5,0.396,0.69,1.0,0.65006682201357,0.6762559111781234,0.47222602974436295,0.5683640600370091,0.5917282057432663
EOS-4-08589,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)cc1F,ZGFBJPHFXNKAJW-UHFFFAOYSA-N,4,1,0.5,34,332,451.412,4.066,5,0.387,0.67,1.0,0.629566170927284,0.6762644781029402,0.7336114728257145,0.7570848468233843,0.6991317421698307
EOS-4-08590,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3Cl)n12,YEPHUDADYVHUJV-UHFFFAOYSA-N,4,1,0.534,47,164,436.838,3.385,5,0.434,0.68,1.0,0.8799088479199506,0.8625608251661984,0.6296347063258173,0.6723836611609897,0.761122010143239
EOS-4-08591,Fc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4F)n23)ccc1-c1ncsn1,XZZWTYGHIPYBBC-UHFFFAOYSA-N,4,1,0.578,73,265,471.88,4.258,5,0.365,0.62,1.0,0.8946953601535192,0.9087451168528545,0.7459735453361661,0.7907956959769721,0.835052429579878
EOS-4-08592,COc1cc(-c2nnc3cncc(OCCc4cc(F)ncc4Cl)n23)ccc1-c1cnco1,GQCRWTLBNSKZDG-UHFFFAOYSA-N,4,1,0.539,35,103,466.86,4.264,5,0.328,0.61,1.0,0.8874220409841683,0.7732249331779865,0.7853556987183881,0.7066599273524775,0.7881656500582551
EOS-4-08593,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)c(F)cc1-c1cscn1,OVKFZBQXUHNCGH-UHFFFAOYSA-N,4,1,0.505,11,777,466.473,4.218,5,0.332,0.67,1.0,0.7991741484476732,0.7337228428483311,0.702419299568227,0.6115242272633815,0.7117101295319033
EOS-4-08594,Fc1ccnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)cn2)n1,KLGYJGLZKHYWIA-UHFFFAOYSA-N,4,1,0.44,7,85,435.81,2.805,5,0.303,0.56,1.0,0.6593619354396546,0.8332105407442945,0.3220821054074429,0.3734579535329998,0.547028133781098
EOS-4-08595,COc1cc(-c2nnc3cncc(OCc4c(F)ccnc4F)n23)ccc1-c1ccsn1,FKDXFEPJLMABSU-UHFFFAOYSA-N,4,1,0.467,97,383,452.446,4.176,5,0.357,0.62,1.0,0.867495373860599,0.7060088410664108,0.7622421355630183,0.6665153176615722,0.7505654170379
EOS-4-08596,COc1c(F)ccnc1-c1cc(F)cc(-c2cncc3nnc(-c4csc(C)n4)n23)c1,OZLCIGDIFDOEBA-UHFFFAOYSA-N,4,1,0.297,96,140,436.447,4.572,5,0.411,0.73,0.966,0.269729627852786,0.38323281474881776,0.6356572544719348,0.6115327941881982,0.4750381228154342
EOS-4-08597,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NOC5CC5)cc4)n23)cc1F,DVEPPRVFQNCMSY-UHFFFAOYSA-N,4,1,0.381,0,999,432.415,2.52,5,0.451,0.94,1.0,0.4395432115687753,0.3158967856898088,0.3929305736412857,0.38283016928243435,0.38280018504557606
EOS-4-08598,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1ccsc1,XAOWMFFHGWZVHG-UHFFFAOYSA-N,4,1,0.545,35,103,481.94,5.337,5,0.292,0.54,1.0,0.9011034199163868,0.8683434994174491,0.8521605784387636,0.8084264272496745,0.8575084812555686
EOS-4-08599,Fc1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1-c1nc[nH]n1,WOSOWAVQDMHACR-UHFFFAOYSA-N,4,1,0.54,47,164,436.838,3.385,5,0.434,0.56,1.0,0.894703927078336,0.8951836748680694,0.6356658213967514,0.6843687889795079,0.7774805530806662
EOS-4-08600,OCCc1ccc(COc2cncc3nnc(-c4ccc(F)c(-c5ccccn5)c4)n23)nn1,YGWDSNJGSBRHLR-UHFFFAOYSA-N,4,1,0.517,4,799,443.442,2.896,5,0.409,0.72,1.0,0.6809762867521074,0.6373363717360017,0.43669899252964156,0.4334949626482078,0.5471266534164896
EOS-4-08601,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1ccsc1,JPEIPFMWAPJPRW-UHFFFAOYSA-N,4,1,0.538,35,103,447.495,4.684,5,0.361,0.61,1.0,0.8963230758686862,0.822159207730793,0.7509680625042835,0.669488040572956,0.7847345966691797
EOS-4-08602,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncc[nH]1,VXPRNTQOYSCZRK-UHFFFAOYSA-N,4,1,0.522,35,982,431.431,3.346,5,0.421,0.67,1.0,0.7794445205948872,0.6042337742443973,0.6092197244876979,0.4831574258104311,0.6190138612843534
EOS-4-08604,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cn1,RYLNYUNJWKORQP-UHFFFAOYSA-N,4,1,0.527,58,578,427.443,3.712,5,0.382,0.76,1.0,0.8719587416900829,0.8766705503392502,0.49972585840586664,0.43656192173257485,0.6712292680419437
EOS-4-08605,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cnc(Cl)nc5)n34)cc2F)n1,MKGDCLBWODXMSL-UHFFFAOYSA-N,4,1,0.558,37,361,463.864,3.156,5,0.35,0.61,1.0,0.9320043177301076,0.9339233088890412,0.34025255294359535,0.36024775546569804,0.6416069837571106
EOS-4-08606,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1Cl,DIIRQISQWAJGLW-UHFFFAOYSA-N,4,1,0.6,90,133,426.839,2.96,4,0.509,0.81,1.0,0.6838804742649579,0.541986498526489,0.632581728462751,0.5900983482968953,0.6121367623877734
EOS-4-08607,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cc4Cl)n23)cc1F,VFODPMNDDXPZSD-UHFFFAOYSA-N,4,1,0.373,0,21,482.878,3.534,5,0.479,0.73,1.0,0.1908453841409088,0.1945891302857926,0.30010794325269,0.5121136316907683,0.2994140223425399
EOS-4-08608,Cc1nc(-c2ncc(F)cn2)ccc1-c1nnc2cncc(OCCc3nccc(F)c3F)n12,IHGQBDWYROBSMF-UHFFFAOYSA-N,4,1,0.443,73,263,464.411,3.386,5,0.377,0.57,0.998,0.8355321773696114,0.840158316770612,0.447519018573093,0.4554519909533274,0.644665375916661
EOS-4-08610,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cnco5)nc4)n23)ccc1F,SOYKAGQIFYOCAP-UHFFFAOYSA-N,4,1,0.489,4,702,414.36,2.826,5,0.426,0.76,1.0,0.7794530875197039,0.7288482626276471,0.5410184360222055,0.4618086491672949,0.6277821088342129
EOS-4-08611,Fc1cc(-c2cocn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,JNROHFTYEVVGSM-UHFFFAOYSA-N,4,1,0.5,4,799,423.795,3.608,5,0.422,0.71,1.0,0.7737475155918032,0.743009389349599,0.615173737235282,0.6494842711260366,0.6953537283256802
EOS-4-08612,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cc2F)ncc1F,CJSWVFJJKCRBKU-UHFFFAOYSA-N,4,1,0.5,37,795,446.421,3.246,5,0.392,0.67,1.0,0.9176632855870057,0.8766791172640669,0.340261119868412,0.3280275512302104,0.6156577684874238
EOS-4-08614,Clc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nc1,KSFOUFXLTWYNNS-UHFFFAOYSA-N,4,1,0.549,65,262,465.304,3.967,5,0.347,0.75,1.0,0.8836868617641012,0.9293485710369406,0.4791309711465972,0.555290932766774,0.7118643341786032
EOS-4-08615,COc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1ccncn1,HLLHJNFTGDFPNM-UHFFFAOYSA-N,4,1,0.479,35,777,461.432,3.552,5,0.363,0.64,1.0,0.8947124940031527,0.7645637721883353,0.6783034062093071,0.5810516756904941,0.7296578370228223
EOS-4-08616,Fc1cc(Cl)nc(COc2cncc3nnc(-c4ccnc(-c5ccsc5)c4)n23)c1,OBXJEZRWVGKILM-UHFFFAOYSA-N,4,1,0.542,75,183,438.875,4.681,5,0.371,0.73,1.0,0.5645432115687753,0.6373449386608183,0.7410989651154821,0.7698752655746693,0.6782155952299362
EOS-4-08617,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4F)n23)cc1,FFQATPXBJWZIRR-UHFFFAOYSA-N,4,1,0.655,48,378,423.423,3.441,4,0.493,0.81,1.0,0.7235025015420464,0.3497104379411966,0.7099838941813447,0.6019892399424303,0.5962965184017546
EOS-4-08618,Fc1ccc(COc2cncc3nnc(-c4cc(-c5ncc(F)cn5)ncn4)n23)nc1,RWPAKTSSYYJAMJ-UHFFFAOYSA-N,4,1,0.46,46,842,419.355,2.29,5,0.423,0.58,0.345,0.505003084092934,0.44763895552052635,0.31485162086217533,0.33144575423206085,0.39973485367692413
EOS-4-08619,N#CCc1ncc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4Cl)n23)cc1F,FRCVDCVTTFGYLH-UHFFFAOYSA-N,4,1,0.316,63,129,465.851,3.743,5,0.481,0.78,0.306,0.2484579535329998,0.36907168802686585,0.6389812213008018,0.7721883352751696,0.5071747995339593
EOS-4-08620,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,DTBANNAGHQBHSV-UHFFFAOYSA-N,4,1,0.553,11,141,452.902,4.724,5,0.371,0.67,1.0,0.8283616612980604,0.8651823041600987,0.7485350558563498,0.7908042629017887,0.8082208210540744
EOS-4-08621,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccc6ncnn6n5)cc4Cl)n23)ccn1,GPLYFSGDZWNPCE-UHFFFAOYSA-N,4,1,0.521,72,386,487.886,3.705,6,0.327,0.69,1.0,0.835540744294428,0.8365602083476116,0.5577068055650743,0.6231238434651497,0.713232900418066
EOS-4-08622,O=C(c1ccc(-c2cncc3nnc(-c4cnncc4-c4cccc(F)c4)n23)cc1F)N1CCCC1,LGGLTHUIPJVZCK-UHFFFAOYSA-N,4,1,0.343,52,376,483.482,4.43,6,0.376,0.88,1.0,0.08173702967582756,0.16472483037488864,0.12153039544924954,0.4144164210814886,0.19560216914536357
EOS-4-08623,CCn1c(Cc2cncc3nnc(-c4ccc(Cl)cc4)n23)cnc1C(C)(OC)C1CC1,CPBUCTRXPXRTFS-UHFFFAOYSA-N,4,1,0.38,78,5,436.947,4.524,5,0.426,0.62,1.0,0.332550887533411,0.4563086834349942,0.1859708039202248,0.35375402645466386,0.3321461003358235
EOS-4-08624,Clc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,OJTXXLZHPVXKRZ-UHFFFAOYSA-N,4,1,0.658,11,56,434.912,4.585,5,0.364,0.73,1.0,0.7766945377287369,0.862569392091015,0.45833904461654446,0.5218970598314029,0.6548750085669248
EOS-4-08625,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)c(F)c1,QDZCSFUNIKUJFW-UHFFFAOYSA-N,4,1,0.489,26,563,451.412,3.626,5,0.392,0.72,1.0,0.820608594338976,0.7430179562744157,0.8324823521348776,0.7999623055308067,0.799017802069769
EOS-4-08626,Fc1ccnc(Cl)c1COc1cncc2nnc(-c3cccc(-c4ncon4)c3)n12,HHNTYVBWXHQZQP-UHFFFAOYSA-N,4,1,0.512,16,300,423.795,3.608,5,0.395,0.7,1.0,0.7205297786306627,0.6139743677609485,0.6389897882256186,0.6665238845863889,0.6600044548009046
EOS-4-08627,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1nccs1,MPSKNWBLTSABFD-UHFFFAOYSA-N,4,1,0.62,11,595,418.457,4.07,5,0.414,0.74,1.0,0.9256819272154068,0.8898207799328353,0.5608851346720581,0.5552994996915908,0.7329218353779727
EOS-4-08628,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3ccccc3)n12,PTNZFZOVBRCNNR-UHFFFAOYSA-N,4,1,0.767,91,660,418.457,4.07,5,0.414,0.69,1.0,0.8632204783770817,0.9369388664245083,0.5608937015968748,0.5810602426153109,0.7355283222534439
EOS-4-08629,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)nc3)n12,DMCFSLZQYFMTOG-UHFFFAOYSA-N,4,1,0.505,58,981,414.404,2.799,5,0.391,0.68,1.0,0.8836954286889178,0.8712391200054829,0.37839250222740045,0.35697519018573093,0.622575560276883
EOS-4-08630,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cc2F)nc(C)n1,UWVIZIXTUBELGJ-UHFFFAOYSA-N,4,1,0.558,15,361,442.458,3.416,5,0.394,0.7,1.0,0.9282263038859571,0.8625779590158317,0.4039133712562539,0.3280361181550271,0.6306884380782675
EOS-4-08631,N#Cc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,VQFXXZOGVYGJQU-UHFFFAOYSA-N,4,1,0.517,35,352,443.467,3.942,5,0.366,0.68,1.0,0.810037009115208,0.8143461722979919,0.7336200397505311,0.7096926187375779,0.7669239599753273
EOS-4-08632,Fc1ccccc1-c1nnc2cncc(OCc3cc(-c4ncc(Cl)s4)ns3)n12,UYVLUAPACZXDBC-UHFFFAOYSA-N,4,1,0.537,59,389,444.904,4.743,5,0.389,0.6,1.0,0.7110290590089782,0.7474042217805497,0.3745116852854499,0.512122198615585,0.5862667911726407
EOS-4-08633,CCNC(=O)c1ccc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1C,CAPWNDUJTYDVRI-UHFFFAOYSA-N,4,1,0.649,48,378,421.888,4.082,4,0.507,0.88,1.0,0.9121290521554383,0.8027294222465904,0.5934394489753958,0.5085669248166678,0.7042162120485231
EOS-4-08634,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4Cl)n23)nc1,LQUIPJMITWHUIK-UHFFFAOYSA-N,4,1,0.488,51,143,453.89,4.119,5,0.357,0.62,1.0,0.7265266260023302,0.8143547392228085,0.3481255568501131,0.4395175107943253,0.5821311082173943
EOS-4-08635,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ccsc1,QZZUYIWMSMJLCL-UHFFFAOYSA-N,4,1,0.547,35,103,447.495,4.684,5,0.361,0.67,1.0,0.885545884449318,0.802737989171407,0.7692927146871359,0.6871359056952916,0.7861781235007882
EOS-4-08636,Fc1cc(-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)cc(F)c1-c1ncon1,GKOHNJPXVVMCFH-UHFFFAOYSA-N,4,1,0.55,73,94,442.773,3.142,5,0.404,0.65,1.0,0.7382890137756151,0.7430265231992325,0.5839301624288945,0.6260023302035501,0.672812007401823
EOS-4-08637,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5)cc4F)n23)cc1F,GRVKQWCABHJNJI-UHFFFAOYSA-N,4,1,0.41,62,504,484.466,4.348,5,0.386,0.84,1.0,0.27479268041943666,0.29054725515728874,0.7693012816119525,0.6637824686450552,0.4996059214584333
EOS-4-08638,Fc1cncc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ncn5)n34)co2)c1,QMFSVDSCFXEGRC-UHFFFAOYSA-N,4,1,0.467,2,354,423.795,3.608,5,0.395,0.58,1.0,0.5149749845795353,0.5057912411760674,0.6757761633883901,0.6898687547118086,0.5966027859639503
EOS-4-08639,Cc1nnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2F)s1,VMCSPZGJZIMOBS-UHFFFAOYSA-N,4,1,0.6,43,629,436.447,4.475,5,0.404,0.83,1.0,0.8780755260091837,0.8332191076691111,0.6864162840106915,0.7037300390651772,0.7753602391885408
EOS-4-08640,C#Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ccc(F)cn5)c4)n23)cn1,GBDIYPAHXZFIDW-UHFFFAOYSA-N,4,1,0.494,7,199,424.399,2.738,5,0.397,0.65,1.0,0.6626602014940717,0.5854208073469948,0.48952265094921527,0.4302052635186074,0.5419522308272223
EOS-4-08641,N#Cc1nc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)ccc1F,SZNMEISAIJSSES-UHFFFAOYSA-N,4,1,0.462,4,875,425.387,2.628,5,0.417,0.66,1.0,0.6295747378521006,0.6470940991021863,0.5276283325337536,0.48004763210198065,0.5710862003975052
EOS-4-08642,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)nc4)n23)c(F)c1F,YIBPFTIFTCBOOC-UHFFFAOYSA-N,4,1,0.33,96,836,462.395,3.087,5,0.437,0.72,0.96,0.29432526900143924,0.38791892262353506,0.697313412377493,0.6349204989377013,0.5036195257350422
EOS-4-08643,Cc1nc(-c2nnc3cncc(OCc4ncc(F)cc4F)n23)ccc1-c1ccccn1,YVZIGXAMCLHBOV-UHFFFAOYSA-N,4,1,0.467,46,267,431.406,3.809,5,0.418,0.63,0.99,0.6240490713453499,0.5699832088273593,0.5609022685216914,0.5423891439928723,0.5743309231718182
EOS-4-08644,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cncnc5)c(F)c4F)n23)cc1F,JCWUIGDDFUEFKB-UHFFFAOYSA-N,4,1,0.315,96,648,487.445,4.225,6,0.399,0.77,1.0,0.26694537728736895,0.3879274895483517,0.7646922760605853,0.8230416009869097,0.560651685970804
EOS-4-08645,Fc1cc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)ccn1,ZGLOINYKVNFAQZ-UHFFFAOYSA-N,4,1,0.476,24,28,423.408,3.562,5,0.399,0.66,1.0,0.7445257350421493,0.7601946405318347,0.5308409293400042,0.505414296484134,0.6352439003495306
EOS-4-08646,Fc1cc(F)c(COc2cncc3nnc(-c4ccc(-c5ncsn5)nn4)n23)cc1F,OCLJCHLPBDHIOD-UHFFFAOYSA-N,4,1,0.458,54,445,442.386,3.096,5,0.383,0.6,0.989,0.5959923925707628,0.5654341717497087,0.5902268521691454,0.6409344801590021,0.5981469741621547
EOS-4-08647,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(F)c5)n34)cc2F)n1,NDSWRONHIPMXJC-UHFFFAOYSA-N,4,1,0.545,37,619,446.421,3.246,5,0.392,0.6,1.0,0.9075628812281543,0.8712476869302995,0.5207576588307861,0.5085754917414845,0.702035929682681
EOS-4-08649,N#Cc1cc(-c2nnc3cncc(OCc4cc(-c5cscn5)ccn4)n23)ccc1Cl,XZVNWUXFMWXXQZ-UHFFFAOYSA-N,4,1,0.571,4,850,445.895,4.414,5,0.394,0.67,1.0,0.7296878212596807,0.8712562538551162,0.7853642656432047,0.7816119525735042,0.7919800733328765
EOS-4-08650,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1F,KVPSMVDEUUSLHL-UHFFFAOYSA-N,4,1,0.5,90,636,458.856,3.3,4,0.407,0.9,1.0,0.6869302994996916,0.487260982797615,0.4862672195188815,0.48316599273524774,0.5359061236378589
EOS-4-08651,COc1cc(-c2nnc3cncc(OCCc4c(F)ccnc4F)n23)ccc1-c1ncco1,HGPRHUOEUMZQQQ-UHFFFAOYSA-N,4,1,0.5,11,777,450.405,3.75,5,0.346,0.54,1.0,0.9230861489959564,0.6861507093413748,0.6727434720032897,0.5553080666164074,0.709322099239257
EOS-4-08652,CNC(=O)c1ccc(-c2nnc3cncc(-c4nc5cc(F)cc(F)c5n4C)n23)cc1F,PMABTJBFXPWLOP-UHFFFAOYSA-N,4,1,0.326,22,129,437.385,3.122,5,0.469,0.81,1.0,0.30715852237680763,0.339849907477212,0.6030686724693304,0.6204937975464327,0.46764272496744563
EOS-4-08653,CNCc1cc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)ccc1Cl,JXBYUSSNPBSGSG-UHFFFAOYSA-N,4,1,0.538,90,196,416.272,3.187,4,0.516,0.78,1.0,0.6532108834212871,0.6188232472071825,0.5644147076965252,0.6115413611130148,0.6119975498595024
EOS-4-08654,FCc1cnc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)c(Cl)n1,OQQXNRGPYXIGQB-UHFFFAOYSA-N,4,1,0.49,65,262,463.864,3.178,5,0.358,0.64,1.0,0.7476355287505997,0.8067901446096909,0.12153896237406621,0.1664896168871222,0.4606135631553697
EOS-4-08657,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,LSRGYMXLPMYBGO-UHFFFAOYSA-N,4,1,0.534,47,164,436.838,3.385,5,0.434,0.65,1.0,0.9176718525118224,0.8818963744774175,0.6092282914125146,0.6523284901651704,0.7652812521417313
EOS-4-08659,CNC(=O)c1ccc(-c2nnc3cncc(-c4cn(-c5ccnc(F)c5Cl)nn4)n23)c(F)c1F,ALWWAROOTYJPMU-UHFFFAOYSA-N,4,1,0.289,22,26,485.817,2.864,5,0.389,0.6,0.173,0.0567644438352409,0.24932321293948323,0.6622147214036049,0.6843773559043246,0.41316993352066345
EOS-4-08660,CCn1cnnc1-c1cc(F)cc(-c2nnc3cncc(OCc4ccc(C(F)F)nn4)n23)c1,NLRYRVBIIZNQLK-UHFFFAOYSA-N,4,1,0.523,36,52,467.415,3.515,5,0.358,0.49,1.0,0.3859228291412515,0.5191470769652525,0.5241501610581866,0.4647556713042286,0.47349393461722983
EOS-4-08661,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1F,HBXAMEAEDMFSMO-UHFFFAOYSA-N,4,1,0.324,0,188,467.407,3.554,5,0.451,0.81,1.0,0.3989445548625865,0.4252964155986567,0.629643273250634,0.6260108971283668,0.519973785210061
EOS-4-08663,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cn2)nc1,VPLPHOHLFJDXNP-UHFFFAOYSA-N,4,1,0.527,65,262,428.431,3.107,5,0.406,0.68,1.0,0.8257487492289768,0.8737663628263999,0.3440819683366459,0.3097200328969913,0.5883292783222535
EOS-4-08664,CCOC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4)n23)cc1F,HKFDEMJONAFMMY-UHFFFAOYSA-N,4,1,0.364,0,682,437.406,3.273,4,0.481,0.88,1.0,0.45810773764649443,0.345007196216846,0.6506750736755534,0.4983722842848331,0.48804057295593173
EOS-4-08665,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)cc4Cl)n23)ccn1,UDTOXAVSRJXSEL-UHFFFAOYSA-N,4,1,0.57,35,626,437.822,3.65,5,0.371,0.7,1.0,0.8100455760400247,0.7984459598382565,0.6592762661914879,0.6723922280858063,0.7350400075388939
EOS-4-08667,N#Cc1cc(-c2ccncc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,LFWXXFULYBDKOJ-UHFFFAOYSA-N,4,1,0.571,35,234,419.448,3.741,5,0.413,0.75,1.0,0.8023182098553903,0.7288568295524639,0.7206497155780961,0.6843859228291412,0.7340526694537729
EOS-4-08668,Cc1nc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncc(F)cn1,AAIQBPCOLIBZIC-UHFFFAOYSA-N,4,1,0.452,18,263,446.421,3.246,5,0.392,0.6,1.0,0.8355493112192447,0.7152182852443287,0.40392193818107053,0.38283873620725106,0.5843820677129737
EOS-4-08669,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1Cl,MXXXXJZZNUOGLM-UHFFFAOYSA-N,4,1,0.356,0,688,440.841,4.337,5,0.499,0.89,0.999,0.2994739908162566,0.41637824686450553,0.7074052498115276,0.7862123912000548,0.5523674696730861
EOS-4-08670,Cc1ccccc1-c1ccc(-c2nnc3cncc(-c4cn(-c5ccccc5F)nn4)n23)cc1F,XPBFVRIYVFXKKG-UHFFFAOYSA-N,4,1,0.324,3,991,465.467,5.293,6,0.354,0.71,1.0,0.046843944897539576,0.2905558220821054,0.858028921938181,0.8871907340141183,0.5206548557329861
EOS-4-08671,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5cnco5)nc4Cl)n23)ccc1F,ASBHZASZSXQRFQ-UHFFFAOYSA-N,4,1,0.474,58,143,462.832,3.522,5,0.348,0.57,1.0,0.8652337057089987,0.8181841546158591,0.5343019669659379,0.542397710917689,0.6900293845521211
EOS-4-08674,Cc1cnc(-c2ccc(-c3nnc4cncc(COc5ccncc5F)n34)cn2)cn1,NOMIHIFXHDZAOU-UHFFFAOYSA-N,4,1,0.387,85,767,414.404,3.065,5,0.432,0.74,1.0,0.6323675553423344,0.5654427386745254,0.4367075594544582,0.3602563223905147,0.4986935439654582
EOS-4-08675,Cc1ncc(C)c(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)ccc2F)n1,ZFEMULGBIRLNQO-UHFFFAOYSA-N,4,1,0.57,35,426,441.47,4.021,5,0.393,0.65,1.0,0.9268812966897403,0.8501987526557467,0.4895312178740319,0.4209444177917895,0.6718889212528272
EOS-4-08676,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(N)=O)cc4COC)n23)c(F)c1F,CCHKUQRERZTNLT-UHFFFAOYSA-N,4,1,0.34,0,129,452.421,2.341,4,0.463,0.72,0.998,0.3947724624768693,0.33985847440202865,0.6533822219176204,0.4681224727571791,0.46403390788842436
EOS-4-08677,Fc1cc(-c2ccsc2)ccc1-c1nnc2cncc(OCC3CN3Cc3ccccn3)n12,GKQUZVGHFJMMAI-UHFFFAOYSA-N,4,1,0.468,11,352,458.522,4.317,6,0.339,0.58,1.0,0.4675656226440957,0.5328113220478377,0.5032211637310671,0.6174525392365157,0.530262661914879
EOS-4-08678,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5nnc(C(F)(F)F)n5C)n34)cn2)n(C)n1,ABTGVYLISCIGSV-UHFFFAOYSA-N,4,1,0.427,36,105,470.419,2.622,5,0.385,0.65,1.0,0.45597457336714414,0.5146494414365019,0.2631759303680351,0.14587759577821946,0.3449193852374752
EOS-4-08679,Cn1cncc1-c1cc(-c2nnc3cncc(OC4Cc5cnc(Cl)n5C4)n23)ccc1F,WWXPHGGJJQOLDO-UHFFFAOYSA-N,4,1,0.423,26,911,450.865,3.185,6,0.418,0.62,1.0,0.6718182441230895,0.7288653964772805,0.48260057569734766,0.5870570899869783,0.6175853265711739
EOS-4-08680,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cc(F)ncc4F)n23)cc1Cl,GXNPWBFTTFYSCN-UHFFFAOYSA-N,4,1,0.534,26,125,467.867,4.14,5,0.349,0.66,1.0,0.852049208416147,0.8365687752724282,0.862543691316565,0.8536340895072305,0.8511989411280927
EOS-4-08681,Clc1ccc(-c2nnc3cncc(-c4ncnc(COCc5cccc(Cl)n5)n4)n23)cn1,VKDUAQZHVSTERV-UHFFFAOYSA-N,4,1,0.344,29,849,466.292,3.457,5,0.347,0.58,0.674,0.37200157631416625,0.4607463504900281,0.2704835172366527,0.4015317661572202,0.3761908025495168
EOS-4-08682,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c(Cl)n2)cs1,PLOLSWVNFNZDCU-UHFFFAOYSA-N,4,1,0.561,43,268,452.902,4.99,5,0.349,0.77,1.0,0.8206171612637927,0.8401668836954287,0.6451065725447194,0.6813617983688575,0.7468131039681996
EOS-4-08683,O=C(c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1)c1cncs1,NPEPYBHKFDEFAR-UHFFFAOYSA-N,4,1,0.6,35,352,446.467,3.634,5,0.278,0.67,1.0,0.8780840929340004,0.7941453635802892,0.510288876704818,0.44276437529984236,0.6563206771297375
EOS-4-08684,CCCOc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nc1,VUFDMJJCMZOXJX-UHFFFAOYSA-N,4,1,0.49,65,904,472.484,3.588,5,0.317,0.72,1.0,0.7964498663559728,0.8143633061476252,0.3001165101775067,0.2290024672743472,0.534983037488863
EOS-4-08685,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc1Cl,YYBNNXJIGZGVBE-UHFFFAOYSA-N,4,1,0.364,0,188,432.846,4.015,5,0.525,0.85,1.0,0.38128812281543417,0.5283136865190871,0.7693098485367692,0.8667843191008155,0.6364239942430265
EOS-4-08686,Cc1ccc(-c2nnc3cncc(Cc4ccc(C(C)N5CCC(F)(F)C5)nc4)n23)cn1,XYOUWTZRZZDHIJ-UHFFFAOYSA-N,4,1,0.345,66,455,435.482,3.883,5,0.474,0.65,0.991,0.13803029264615174,0.15328798574463712,0.42905729559317385,0.4586902885340278,0.2947664656294976
EOS-4-08687,Cn1cnnc1-c1cc(F)cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)c1,LLYYIZNYVUBJCU-UHFFFAOYSA-N,4,1,0.554,36,712,438.373,2.978,5,0.389,0.72,1.0,0.477794530875197,0.5099204989377013,0.6645706257281886,0.6665324515112055,0.579704526763073
EOS-4-08688,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)nc1,CZZGMGVBHHZAJH-UHFFFAOYSA-N,4,1,0.561,55,109,413.416,3.67,5,0.434,0.8,1.0,0.8585343705023645,0.7984545267630732,0.5276368994585704,0.4983808512096498,0.6707516619834145
EOS-4-08689,CNC(C)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1F,YMPICABYRXGHMH-UHFFFAOYSA-N,4,1,0.333,0,188,466.467,4.048,5,0.448,0.58,1.0,0.32226201082859296,0.3972740045233363,0.8405952299362621,0.82496915907066,0.5962751010897128
EOS-4-08690,CCOc1cccc(-c2nc(-c3ccccn3)ccc2-c2nnc3cncc(Cl)n23)n1,IQLSXHRINCSEJZ-UHFFFAOYSA-N,4,1,0.469,24,56,429.871,4.362,5,0.409,0.64,0.997,0.4800818998012473,0.6521999862929203,0.3258001507778768,0.3378195462956617,0.4489753957919265
EOS-4-08691,COc1cc(-c2nnc3cncc(COc4ccc(F)cc4F)n23)ccc1-c1csnn1,BLZBQXNXDLQHIU-UHFFFAOYSA-N,4,1,0.4,14,189,452.446,4.176,5,0.382,0.74,1.0,0.4304879720375574,0.5057998081008841,0.7980176135974231,0.728077239394147,0.6155956582825028
EOS-4-08692,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ncccn5)n34)ccc2F)cn1,PQGGECFPBNMIEX-UHFFFAOYSA-N,4,1,0.512,11,795,427.443,3.712,5,0.408,0.73,1.0,0.9090021245973545,0.8974196422452196,0.5070163114248509,0.47413645397847987,0.6968936330614762
EOS-4-08693,COC(C)(C)c1cnc(Cc2cncc3nnc(-c4cnc(-c5cnccn5)c(F)c4)n23)cn1,NMCZEWKQFPLFKO-UHFFFAOYSA-N,4,1,0.327,85,674,457.473,3.045,5,0.379,0.57,0.959,0.42342882598862314,0.48239496950174765,0.3819135083270509,0.22552429579878008,0.3783153999040504
EOS-4-08694,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4ncon4)c3)n12,CZQJJMMDFCSUQK-UHFFFAOYSA-N,4,1,0.519,73,332,423.795,3.608,5,0.422,0.74,1.0,0.7907871290521554,0.641893975738469,0.645115139469536,0.6956771297375094,0.6933683434994174
EOS-4-08695,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)c(Cl)c4)n23)n1,WSTFJGOTDGRTCV-UHFFFAOYSA-N,4,1,0.533,11,275,452.902,4.724,5,0.347,0.65,1.0,0.8947210609279693,0.89960420807347,0.6919590843670756,0.7365756288122816,0.8057149955451991
EOS-4-08696,COc1cc(-c2nnc3cncc(CNCc4cccc(Cl)c4O)n23)ccc1-c1ccsc1,LDFMFECFGGVUON-UHFFFAOYSA-N,4,1,0.367,14,257,477.977,5.177,5,0.336,0.71,1.0,0.4211500239873895,0.3832413816736344,0.7853728325680214,0.7309899938318142,0.5801885580152149
EOS-4-08697,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)c1,HUJWWVFOEXJCSB-UHFFFAOYSA-N,4,1,0.534,47,164,420.383,2.871,5,0.45,0.65,1.0,0.8963316427935029,0.7861010211774382,0.6092368583373312,0.6051847028990474,0.7242135563018299
EOS-4-08699,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5cccs5)c4)n23)ncc1F,FSEQHNSEJCDTNB-UHFFFAOYSA-N,4,1,0.461,24,199,430.428,3.295,5,0.417,0.69,1.0,0.7880028784867384,0.7288739634020972,0.35567301761359743,0.34411623603591257,0.5541665238845864
EOS-4-08700,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(F)cn5)cc4F)n23)cc1,XLQKNRHWENLRGQ-UHFFFAOYSA-N,4,1,0.424,96,274,430.378,2.687,5,0.465,0.76,1.0,0.25124220409841685,0.2390857377835652,0.590235419093962,0.535535604139538,0.4040247412788705
EOS-4-08701,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,PUHUAUKKPKKCRD-UHFFFAOYSA-N,4,1,0.536,35,202,414.404,2.799,5,0.418,0.68,1.0,0.7737560825166199,0.8470289904735796,0.38566582139675143,0.3984905078473031,0.6012353505585635
EOS-4-08703,COc1cc(-c2nnc3cncc(OCc4cnc(Cl)c(F)c4)n23)ccc1-c1cncs1,LLHRLPUTZZKXEE-UHFFFAOYSA-N,4,1,0.494,97,103,468.901,4.69,5,0.334,0.69,1.0,0.907571448152971,0.8027465560962237,0.8143461722979919,0.7416815160030156,0.8165864231375506
EOS-4-08704,Fc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)nc1-c1ccncc1,SRMFZXYFPZTMBX-UHFFFAOYSA-N,4,1,0.418,46,208,434.822,3.41,5,0.414,0.72,1.0,0.5901326159961621,0.6188318141319992,0.4688934959906792,0.5355441710643547,0.5533505242957988
EOS-4-08705,Brc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cscn1,UFVBJWZZIFGSQV-UHFFFAOYSA-N,4,1,0.633,35,393,479.363,4.694,5,0.352,0.7,1.0,0.802326776780207,0.8436279213213624,0.5902439860187787,0.5714738537454596,0.701918134466452
EOS-4-08706,Cc1nc(-c2cncc(F)c2)ccc1-c1nnc2cncc(OCc3ccc(C#N)cn3)n12,WSSIFTYSJJXWEJ-UHFFFAOYSA-N,4,1,0.5,4,205,438.426,3.542,5,0.409,0.65,1.0,0.7050065108628607,0.7430350901240491,0.6420910150092523,0.5961894318415462,0.6715805119594271
EOS-4-08707,Fc1ccc(-c2ncnnc2-c2nnc3cncc(-c4cnn(-c5ccnc(F)c5)c4)n23)cc1,KPHPCUMXFKXRLP-UHFFFAOYSA-N,4,1,0.289,10,356,454.404,3.169,6,0.374,0.63,1.0,0.0028870536632170517,0.10815742581043108,0.4961962853813995,0.5961979987663628,0.3008596909053526
EOS-4-08708,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4cnc(Cl)nc4F)n23)c(F)c1,HYPCNIRKMRMIHL-UHFFFAOYSA-N,4,1,0.347,63,437,427.802,3.072,5,0.397,0.84,0.999,0.2858183126584881,0.3924422589267357,0.3819220752518676,0.5518812966897403,0.40301598588170795
EOS-4-08709,COc1c(-c2nnc3cncc(OCCCOc4ccccc4)n23)ccc(-c2cscn2)c1F,GJIIKVKWJNJUPO-UHFFFAOYSA-N,4,1,0.478,1,955,477.521,4.91,5,0.279,0.74,1.0,0.7907956959769721,0.632478925364951,0.554802618052224,0.4647642382290453,0.610710369405798
EOS-4-08710,NC(=O)c1ccc(-c2nnc3cncc(Cc4cc(-c5ccnc(F)c5)ncn4)n23)cc1F,QPPNPHUYGNJYOP-UHFFFAOYSA-N,4,1,0.355,14,81,444.405,2.611,5,0.413,0.67,1.0,0.3071670893016243,0.2390943047083819,0.5678757453224591,0.5288791035569872,0.4107540607223631
EOS-4-08711,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccc(F)nn1,TWIOUSANOGZAQX-UHFFFAOYSA-N,4,1,0.521,72,729,477.887,4.066,5,0.323,0.69,1.0,0.9402199986292921,0.8846377904187512,0.7024278664930437,0.6378846549242684,0.7912925776163389
EOS-4-08712,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)nn2)ncc1F,QSCHGEKYMPNBKU-UHFFFAOYSA-N,4,1,0.477,54,411,432.394,3.204,5,0.417,0.71,1.0,0.7964584332807896,0.6419025426632856,0.4004009320814201,0.43350352957302446,0.5680663593996299
EOS-4-08713,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnccn5)c4)n23)c(F)c1F,TVZLZLZTCDKHEX-UHFFFAOYSA-N,4,1,0.314,96,648,443.417,3.553,5,0.456,0.82,1.0,0.2775512302104037,0.2644181344664519,0.7383832499485985,0.6871444726201082,0.49187427181139054
EOS-4-08714,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCc3ncc(Cl)nn3)n12,YKOZKNSKOFQFSP-UHFFFAOYSA-N,4,1,0.448,73,446,440.851,3.471,5,0.409,0.66,1.0,0.5987252415872798,0.7337314097731479,0.3856743883215681,0.4862158179699815,0.5510867144129943
EOS-4-08715,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccsn4)cc3)n12,ZCGXHWBKQZHSTA-UHFFFAOYSA-N,4,1,0.575,11,201,418.457,4.07,5,0.414,0.7,1.0,0.8520577753409636,0.8259286546501268,0.6325902953875677,0.6260194640531834,0.7341490473579604
EOS-4-08716,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cc1F,NXENHFSBSHOBQG-UHFFFAOYSA-N,4,1,0.368,0,21,463.444,3.759,5,0.428,0.9,1.0,0.21017236652731136,0.1608782811322048,0.0740096634911932,0.19649955451990953,0.1603899664176547
EOS-4-08717,Fc1cc(-c2nnc3cncc(OCc4cc(F)c(Cl)nn4)n23)ccc1-c1ncon1,LOWNSYPUAWPCFL-UHFFFAOYSA-N,4,1,0.506,73,353,442.773,3.142,5,0.404,0.67,1.0,0.8177301076005757,0.7645723391131519,0.587014255362895,0.634929065862518,0.7010614419847851
EOS-4-08718,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cc4)n23)cc1F,AXNHXHLCZSELAF-UHFFFAOYSA-N,4,1,0.383,96,648,443.417,3.553,5,0.456,0.85,1.0,0.3199318072784593,0.28527002947022134,0.7308443561099308,0.672400795010623,0.5021117469673086
EOS-4-08719,Cc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cccnn1,GRFLYEIOIVVDEI-UHFFFAOYSA-N,4,1,0.529,72,386,427.443,3.712,5,0.382,0.73,1.0,0.9256904941402234,0.8470375573983963,0.6210849153587829,0.5586320334452745,0.7381112500856692
EOS-4-08721,Fc1cnnc(-c2cnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)nc2)n1,GMWPKZFDVUHRQE-UHFFFAOYSA-N,4,1,0.57,51,946,435.81,2.805,5,0.41,0.72,1.0,0.8963402097183195,0.9556233294496608,0.30731272702350765,0.40785415667192104,0.6417826057158522
EOS-4-08722,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)cc1-c1nnco1,OWYAOUZDRHIPST-UHFFFAOYSA-N,4,1,0.495,37,563,438.81,3.045,5,0.368,0.65,1.0,0.917680419436639,0.8401754506202453,0.3893410321431019,0.42384860530463986,0.6427613768761565
EOS-4-08723,Cc1nc(COc2cncc3nnc(-c4ccc(-c5cccnn5)c(Cl)c4)n23)ccc1F,NTNTUVRQQXBQIG-UHFFFAOYSA-N,4,1,0.535,4,712,447.861,4.323,5,0.396,0.82,1.0,0.7050150777876774,0.7941539305051059,0.7336286066753478,0.7337571105475978,0.7416386813789322
EOS-4-08724,FC(F)c1cnc(-c2ccc(-c3nnc4cncc(COc5cccnn5)n34)cn2)cn1,ASSNGVLLTVFYOH-UHFFFAOYSA-N,4,1,0.35,85,362,433.382,2.95,5,0.398,0.57,1.0,0.487389486669865,0.5011651017750668,0.48260914262216437,0.379797477897334,0.4627403022411075
EOS-4-08725,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5cc(F)cc(Cl)c5)n34)cc2)c1,KBFUNJDCSXIAAS-UHFFFAOYSA-N,4,1,0.636,91,781,448.889,4.606,5,0.379,0.7,1.0,0.8980021931327531,0.9148533342471387,0.8504985950243301,0.845007196216846,0.877090329655267
EOS-4-08726,COc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cncc(F)c1,ZSNICWNNJITYNL-UHFFFAOYSA-N,4,1,0.479,4,208,463.86,4.023,5,0.372,0.69,1.0,0.7708690288534028,0.7690100061681858,0.723048454526763,0.6843944897539579,0.7368304948255774
EOS-4-08727,COc1cc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)ccc1-c1ccc(F)nn1,RSFMIPCXVGOAHE-UHFFFAOYSA-N,4,1,0.49,72,925,477.887,4.066,5,0.346,0.61,1.0,0.9282348708107737,0.8563498046741141,0.7074138167363443,0.6608268795833048,0.7882063429511341
EOS-4-08728,Cc1cc(N2CCC(Oc3cncc4nnc(-c5ccc(-c6ccncc6)cc5F)n34)CC2)ccn1,NYLHCEUIPAVVRE-UHFFFAOYSA-N,4,1,0.427,35,352,481.535,4.744,6,0.359,0.82,1.0,0.3444760468782126,0.21342779795764513,0.28567267493660475,0.4238571722294565,0.3168584230004797
EOS-4-08729,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3F)n12,PZNYQKSXYPZGRX-UHFFFAOYSA-N,4,1,0.512,58,28,471.88,4.258,5,0.342,0.61,1.0,0.844955794667946,0.8927421012953191,0.6151823041600987,0.6608354465081214,0.7534289116578714
EOS-4-08730,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)c(F)c2)n1,HAWPGYIGVNDVRH-UHFFFAOYSA-N,4,1,0.5,37,325,462.876,3.761,5,0.351,0.67,1.0,0.9320128846549243,0.936947433349325,0.42190391337125627,0.4144249880063053,0.6763223048454526
EOS-4-08731,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1F,ATTHAKWHNXNNLB-UHFFFAOYSA-N,4,1,0.483,73,526,453.84,4.097,5,0.398,0.69,1.0,0.705023644712494,0.7242563909259132,0.8536340895072305,0.8569237886368309,0.7849594784456172
EOS-4-08732,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cccc(-n5nccn5)n4)n23)cc1,ORQKHHKDXHYRSX-UHFFFAOYSA-N,4,1,0.704,15,996,450.409,2.99,5,0.355,0.7,1.0,0.6748937701322734,0.7430436570488658,0.517639298197519,0.46181721609211157,0.5993484853676925
EOS-4-08733,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1cocn1,LEQGZUSCRLVPTK-UHFFFAOYSA-N,4,1,0.511,35,777,466.86,4.264,5,0.328,0.65,1.0,0.9176889863614557,0.8104225207319581,0.759851963539168,0.6813703652936742,0.7923334589815639
EOS-4-08734,Fc1cncc(CCCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)c(F)c4)n23)c1,BQBZYBWLIHHKIU-UHFFFAOYSA-N,4,1,0.463,37,619,434.41,3.261,5,0.392,0.68,1.0,0.7880114454115551,0.656826125693921,0.5806061956000275,0.6174611061613323,0.660726218216709
EOS-4-08735,O=C(c1ccc(-c2cncc3nnc(-c4ccncc4-c4ccccc4)n23)cc1F)N1CCCC1,ZMVMHOZFYXGQRA-UHFFFAOYSA-N,4,1,0.347,62,376,464.504,4.895,6,0.378,0.86,0.996,0.13008018641628402,0.13439791652388458,0.08036632170516071,0.3248063874991433,0.16741270303611816
EOS-4-08736,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)c(F)c1,QHSHSSRSYLLVJX-UHFFFAOYSA-N,4,1,0.679,48,406,409.396,3.051,4,0.529,0.89,1.0,0.647256870673703,0.46075491741484476,0.7459821122609828,0.6665410184360222,0.6301337296963881
EOS-4-08737,Cc1cccnc1-c1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c(F)c1,IFFWBIPBCJSTLH-UHFFFAOYSA-N,4,1,0.478,4,799,447.861,4.323,5,0.396,0.71,1.0,0.7445343019669659,0.8181927215406758,0.6533907888424371,0.6637910355698718,0.7199772119799877
EOS-4-08738,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)c(F)c1,RZKZYUPYJHZOLE-UHFFFAOYSA-N,4,1,0.484,26,490,451.412,3.626,5,0.392,0.74,1.0,0.8177386745253924,0.7430522239736824,0.7980261805222397,0.7794959221437873,0.7845782502912755
EOS-4-08740,Cc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1ncc[nH]1,ARQQMYYDWLNDIL-UHFFFAOYSA-N,4,1,0.468,4,702,426.415,3.475,5,0.457,0.67,1.0,0.6898773216366253,0.7152268521691454,0.6533993557672538,0.5649287231855253,0.6558580631896375
EOS-4-08741,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cccnn4)nc3)n12,SJVZVKCJABKSID-UHFFFAOYSA-N,4,1,0.506,58,904,414.404,2.799,5,0.418,0.68,1.0,0.8780926598588171,0.8533942156123638,0.4329381125351244,0.4111952573504215,0.6439050613391818
EOS-4-08743,Cn1cnnc1-c1ccc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)cc1C#N,IXOUHOCTKHJRLW-UHFFFAOYSA-N,4,1,0.517,43,520,444.405,3.316,5,0.409,0.64,1.0,0.8257573161537934,0.715235419093962,0.8289956137344938,0.8063446645192242,0.7940832533753684
EOS-4-08744,Fc1cnccc1CCOc1cncc2nnc(-c3cc(-c4ccc(Cl)cn4)no3)n12,TWHZDZULUNTWFJ-UHFFFAOYSA-N,4,1,0.535,84,904,437.822,3.65,5,0.396,0.66,1.0,0.564551778493592,0.5654513055993421,0.5444966074977726,0.605193269823864,0.5699232403536427
EOS-4-08745,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ncc(Cl)cn5)n34)c(F)c2)n1,CLSIBZLNXXSUBV-UHFFFAOYSA-N,4,1,0.511,73,795,462.876,3.761,5,0.375,0.73,1.0,0.9296312795558906,0.9240028099513399,0.3591683229387979,0.3895038037146186,0.6505765540401618
EOS-4-08746,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C(F)C5)nc4)n23)c(F)c1,KGCQIWOJDICXRY-UHFFFAOYSA-N,4,1,0.363,0,169,467.411,2.223,5,0.492,0.74,0.997,0.1963196490987595,0.27990713453498733,0.34813412377492975,0.41443355493112194,0.30969861558494965
EOS-4-08747,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1nnco1,GWSDEMBOZGRIGF-UHFFFAOYSA-N,4,1,0.5,37,563,438.81,3.045,5,0.368,0.66,1.0,0.9090106915221712,0.840184017545062,0.3893495990679186,0.41751764786512235,0.6390154890000685
EOS-4-08749,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)c(F)c2)nnc1Cl,NCBGZYCTVCQIQV-UHFFFAOYSA-N,4,1,0.545,37,361,462.876,3.761,5,0.375,0.58,1.0,0.8892296621204853,0.9240113768761565,0.5609108354465081,0.5776934411623603,0.7379613289013776
EOS-4-08750,Fc1cc(CCOc2cncc3nnc(-c4ccnc(Cl)c4)n23)nnc1Cl,JAFLUJXNXLQYMT-UHFFFAOYSA-N,4,1,0.518,90,281,406.208,3.044,4,0.471,0.68,1.0,0.7964670002056062,0.8332276745939278,0.5241587279830032,0.6694966074977726,0.7058375025700775
EOS-4-08751,Cc1cc(C(=O)N2CCc3cc(F)cc(F)c3C2)ccc1-c1cncc2nnc(-c3ccncc3)n12,XXOADPGFNLCQLK-UHFFFAOYSA-N,4,1,0.36,62,648,482.494,4.638,6,0.375,0.82,0.998,0.14060893701596874,0.16088684805702144,0.47549859502433006,0.6019978068672469,0.3447480467411418
EOS-4-08752,COc1c(-c2nnc3cncc(OCc4sccc4F)n23)ccc(-c2cnsc2)c1F,UBRKVFYCAZBRSD-UHFFFAOYSA-N,4,1,0.477,16,83,457.487,4.842,5,0.363,0.62,1.0,0.6686998834898225,0.6714755671304229,0.7670396134603523,0.6984014118292098,0.7014041189774519
EOS-4-08753,COc1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1-c1cnc(F)nc1,WTIWHJIFIAGNCI-UHFFFAOYSA-N,4,1,0.522,20,658,444.43,2.808,5,0.35,0.6,1.0,0.817747241450209,0.8104310876567747,0.42906586251799056,0.3030635323144404,0.5900769309848537
EOS-4-08754,N#Cc1ccc(COc2cncc3nnc(-c4ccc(-c5nccs5)c(F)c4)n23)nc1,VAHQAIMPTIMTSN-UHFFFAOYSA-N,4,1,0.59,4,850,429.44,3.9,5,0.417,0.78,1.0,0.7505996847371668,0.8027551230210404,0.7150555136728121,0.6844030566787745,0.7382033445274484
EOS-4-08755,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cncc(F)c5)n34)ccn2)cn1,NUBYCKAGULQCCH-UHFFFAOYSA-N,4,1,0.483,51,441,414.404,3.065,5,0.432,0.75,1.0,0.7852957302446714,0.5995648002193132,0.5070248783496676,0.42386573915427317,0.5789377869919813
EOS-4-08756,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)nc4)n23)c(F)c1F,QAHQIWCXAGUVPW-UHFFFAOYSA-N,4,1,0.297,82,836,460.404,3.073,5,0.425,0.77,1.0,0.45361010211774383,0.39245082585155233,0.5445051744225893,0.3984990747721198,0.4472662942910013
EOS-4-08757,Fc1ccc(CCOc2cncc3nnc(-c4ccncc4)n23)c(Cl)c1F,ZZZLNYFWEXHTAS-UHFFFAOYSA-N,4,1,0.768,90,281,387.777,3.739,4,0.488,0.78,1.0,0.8799174148447674,0.887250702487835,0.9359194023713248,0.9387379206360085,0.9104563600849839
EOS-4-08759,Fc1cc(CCOc2cncc3nnc(-c4ccc(F)c(-c5nc[nH]n5)c4)n23)ccn1,DAJYOCIVEIYFJK-UHFFFAOYSA-N,4,1,0.563,47,626,420.383,2.871,5,0.421,0.56,1.0,0.9256990610650401,0.8651908710849153,0.6266191487903502,0.614634020971832,0.7580357754780344
EOS-4-08760,CCNC(=O)c1ccc(-c2nnc3cncc(-c4cc(C(F)F)nc(CF)n4)n23)cc1F,RWAYWUXCMVLARH-UHFFFAOYSA-N,4,1,0.315,66,542,445.38,3.544,4,0.456,0.75,1.0,0.35356555410869717,0.4022513878418203,0.6000017133849633,0.492289767664999,0.46202710575011996
EOS-4-08761,OCc1nnc(-c2ccc(-c3nnc4cncc(OCc5ccc(C(F)F)nn5)n34)cc2)o1,BTWGANYNLNLLOC-UHFFFAOYSA-N,4,1,0.5,72,208,452.381,2.64,5,0.392,0.62,1.0,0.6500753889383867,0.5902439860187787,0.4039305051058872,0.30972859982180795,0.4884946199712151
EOS-4-08762,N#CCCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)cc4F)n23)cc1,LVCMKYCERQSPPX-UHFFFAOYSA-N,4,1,0.416,0,678,433.422,3.325,4,0.433,0.87,1.0,0.3491107532040299,0.33000651086286065,0.6565262833253376,0.577702008087177,0.4783363888698513
EOS-4-08763,N#Cc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)n1,JMMLODBKPGIACR-UHFFFAOYSA-N,4,1,0.517,90,281,412.24,3.381,4,0.463,0.65,1.0,0.8497275717908299,0.954689534644644,0.6727520389281064,0.7570934137482009,0.8085656397779453
EOS-4-08764,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncnc5)n34)cn2)nc1,MBCFLDZZJXHMPD-UHFFFAOYSA-N,4,1,0.533,65,263,415.392,2.194,5,0.411,0.63,1.0,0.8837039956137345,0.8332362415187444,0.21008669727914467,0.20245356726749367,0.5323701254197793
EOS-4-08766,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1F,PIUNGQIMGNADLI-UHFFFAOYSA-N,4,1,0.64,90,400,394.797,3.472,4,0.515,0.77,1.0,0.9890686039339319,0.9921869645671989,0.7872575560276883,0.8249777259954767,0.898372712631074
EOS-4-08767,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cnn2)ncc1F,IMDTUZAKWSZTMU-UHFFFAOYSA-N,4,1,0.506,16,772,432.394,3.204,5,0.417,0.69,1.0,0.7592180111027346,0.6811304913988074,0.482617709546981,0.49538242752381606,0.6045871598930848
EOS-4-08768,COc1nccnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(F)n1,FOHZBURIIDCUPY-UHFFFAOYSA-N,4,1,0.495,65,271,462.42,2.947,5,0.337,0.68,1.0,0.7592265780275512,0.7011428277705435,0.3784010691522171,0.30973716674662466,0.5371269104242341
EOS-4-08769,Fc1cc(CCOc2cncc3nnc(-c4cnnc(-c5ccccc5)c4)n23)nnc1Cl,VJOLVWIBMSWRHJ-UHFFFAOYSA-N,4,1,0.467,72,482,448.849,3.452,5,0.389,0.52,1.0,0.7415530121307655,0.8436364882461792,0.40393907203070384,0.5121307655404016,0.6253148344870125
EOS-4-08770,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cc2F)nn1,ZQNSPYVTAYUNIM-UHFFFAOYSA-N,4,1,0.575,37,626,446.421,3.246,5,0.366,0.64,1.0,0.9230947159207731,0.912754437667055,0.5176478651223357,0.49229833458981564,0.711448838324995
EOS-4-08772,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(F)c1F,QFTSJEAYQNQZBX-UHFFFAOYSA-N,4,1,0.388,0,129,452.396,2.867,5,0.483,0.87,0.998,0.34448461380302925,0.38793605647316837,0.5934480159002125,0.6409430470838188,0.4917029333150572
EOS-4-08773,N#Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4Cl)n23)c1F,TYGWPUHUKBAFHQ-UHFFFAOYSA-N,4,1,0.495,37,832,461.848,3.257,5,0.407,0.64,1.0,0.8608988417517648,0.889829346857652,0.707422383661161,0.7203584401343294,0.7946272531012268
EOS-4-08774,Fc1ccc(COc2cncc3nnc(-c4ccnc(-c5cc(F)c(Br)cn5)c4)n23)nn1,VTWIQHWIYXVKSO-UHFFFAOYSA-N,4,1,0.494,24,486,497.263,3.658,5,0.363,0.63,1.0,0.6212391200054829,0.6276386128435337,0.6325988623123844,0.6288551161675006,0.6275829278322254
EOS-4-08775,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4cccnn4)c3)n12,SCYGFPOZLVYEEY-UHFFFAOYSA-N,4,1,0.558,75,583,414.404,2.799,5,0.418,0.62,1.0,0.7991827153724899,0.6666095538345556,0.44036563635117537,0.42095298471660614,0.5817777225687067
EOS-4-08776,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccc(F)n5)cn4)n23)cc1F,WZFBQADNNIKZQZ-UHFFFAOYSA-N,4,1,0.323,74,768,460.404,3.073,5,0.398,0.8,1.0,0.5870656569117949,0.5283222534439038,0.5140069220752519,0.39241655815228565,0.5054528476458091
EOS-4-08778,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4cnco4)nc3Cl)n12,UMUPALGDMOPCIJ-UHFFFAOYSA-N,4,1,0.5,87,143,437.822,3.65,5,0.371,0.64,1.0,0.7141045850181619,0.7337399766979645,0.44752758549790966,0.4953909944486327,0.5976907854156672
EOS-4-08780,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(F)n4)n23)cc1,ZETNNNGUGNGXJT-UHFFFAOYSA-N,4,1,0.571,90,385,458.856,3.3,4,0.407,0.81,1.0,0.7991912822973065,0.5375316976218216,0.5102974436296347,0.464772805153862,0.5779483071756562
EOS-4-08781,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)ccn1,GTKNNLNFUPEIKI-UHFFFAOYSA-N,4,1,0.521,35,76,427.443,3.712,5,0.382,0.75,1.0,0.8837125625385511,0.865199438009732,0.5609194023713248,0.48317455966006445,0.6982514906449181
EOS-4-08782,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(OC(F)F)nc5)n34)cc2)cn1,KXXFQSHNPZRYLB-UHFFFAOYSA-N,4,1,0.576,15,519,463.448,3.81,5,0.346,0.79,1.0,0.6240576382701666,0.7337485436227812,0.810448221506408,0.6871530395449249,0.7138518607360702
EOS-4-08783,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)c(F)c4)n23)cc1F,DAJDPTMWRMJGRF-UHFFFAOYSA-N,4,1,0.345,0,188,466.423,2.89,5,0.499,0.88,1.0,0.3989531217874032,0.4429956822698924,0.4257418956891234,0.48916284010691524,0.43921338496333356
EOS-4-08784,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4F)n23)ccc1-c1cocn1,MENXVMFQCAPFNU-UHFFFAOYSA-N,4,1,0.521,35,777,450.405,3.75,5,0.37,0.64,1.0,0.9150161058186553,0.6911366595846755,0.7716914536358029,0.6608440134329381,0.7596720581180179
EOS-4-08785,COc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1cnccn1,DZJBDVYVZOANHE-UHFFFAOYSA-N,4,1,0.528,35,982,459.897,3.927,5,0.361,0.7,1.0,0.8739976697964499,0.7817061887464876,0.6266277157151668,0.5553166335412241,0.7094120519498321
EOS-4-08786,N#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)ccc1Cl,KKMOUTYZYUQBQN-UHFFFAOYSA-N,4,1,0.364,0,999,432.846,4.015,5,0.525,0.87,0.988,0.4164810499623055,0.5237646494414365,0.7785792611884038,0.8684291686656158,0.6468135323144404
EOS-4-08787,COc1cc(-c2nnc3cncc(OCCc4cnccc4Cl)n23)ccc1-c1cnccn1,HMKOFOCQUJBMEA-UHFFFAOYSA-N,4,1,0.511,35,604,459.897,3.927,5,0.361,0.65,1.0,0.8561441984785142,0.7732335001028031,0.6210934822835995,0.5586406003700911,0.702277945308752
EOS-4-08790,Fc1cnc(F)c(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4Cl)n23)c1,RZNFHJZFDQDIQZ-UHFFFAOYSA-N,4,1,0.506,58,28,471.88,4.258,5,0.342,0.57,1.0,0.8404324583647453,0.9042817490233706,0.557715372489891,0.6115499280378316,0.7284948769789596
EOS-4-08791,Fc1nnc(-c2ccc(-c3nnc4cncc(OCCc5nc(Cl)ncc5F)n34)c(F)c2)s1,ZHMJBYMBQHKONA-UHFFFAOYSA-N,4,1,0.495,37,832,490.858,3.792,5,0.331,0.57,1.0,0.8719673086148996,0.9127630045918717,0.4722345966691796,0.5485744637105064,0.7013848433966143
EOS-4-08792,Oc1cc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1-c1cscn1,QRFDRMFVUIOYJB-UHFFFAOYSA-N,4,1,0.511,35,429,450.911,4.29,5,0.412,0.58,1.0,0.8449643615927627,0.829818038516894,0.5966777465560962,0.5990850524295799,0.7176362997738331
EOS-4-08793,N#Cc1ccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)cc1-c1nnco1,SDEHPMKWAXRJJB-UHFFFAOYSA-N,4,1,0.473,4,702,439.37,2.698,5,0.399,0.64,0.986,0.7708775957782195,0.7337571105475978,0.6592848331163046,0.5933366458775958,0.6893140463299294
EOS-4-08794,Cn1ncnc1-c1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccc1F,MMADLHFEONDQFO-UHFFFAOYSA-N,4,1,0.451,73,610,439.361,2.373,5,0.384,0.63,0.992,0.609965046946748,0.637353505585635,0.4440322801727092,0.4395260777191419,0.5327192276060585
EOS-4-08795,N#Cc1cc(COc2cncc3nnc(-c4ccnc(-c5cnsc5)c4)n23)cnc1F,PYKXOANQYSWIBF-UHFFFAOYSA-N,4,1,0.471,75,496,430.428,3.295,5,0.39,0.65,1.0,0.6989411280926598,0.6090569529161812,0.6673120416695223,0.6052018367486807,0.645127989856761
EOS-4-08796,Cc1nc(-c2nnc3cncc(OCc4ncc(Cl)cc4F)n23)ccc1-c1ccccn1,WDIHIYQDTZTYFD-UHFFFAOYSA-N,4,1,0.467,46,267,447.861,4.323,5,0.396,0.65,0.99,0.6384500719621684,0.6568346926187376,0.5609279692961414,0.5870656569117949,0.6108195976972106
EOS-4-08798,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCc3cc(Cl)ncn3)n12,LMTXVISGBVFUIA-UHFFFAOYSA-N,4,1,0.506,4,71,439.863,4.076,5,0.381,0.66,1.0,0.6561065040093208,0.802763689945857,0.6757847303132067,0.7011770954698101,0.7089580049345487
EOS-4-08799,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5ncc(Cl)nn5)nc4)n23)c1,BYXQFEQJPSIWAC-UHFFFAOYSA-N,4,1,0.467,55,390,453.8,2.944,5,0.37,0.66,0.994,0.6269104242341169,0.8027722568706737,0.4440408470975259,0.5020046604071002,0.5939320471523541
EOS-4-08800,Cc1noc(-c2ccc(-c3nnc4cncc(OCc5c(F)cccc5Cl)n34)cc2C)n1,BDPLAZJAZJKTPR-UHFFFAOYSA-N,4,1,0.512,43,332,450.861,4.83,5,0.378,0.76,1.0,0.7794616544445206,0.7198101569460627,0.7206582825029128,0.7097011856623946,0.7324078198889727
EOS-4-08801,COc1cc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)ccc1-c1cnc(C)o1,AUUKUAJNVWYFAE-UHFFFAOYSA-N,4,1,0.616,91,955,445.454,4.524,5,0.364,0.7,1.0,0.9474504831745597,0.7337656774724145,0.7336371736001644,0.5933452128024125,0.7520496367623878
EOS-4-08802,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nc[nH]n4)c(F)c3)n12,NQUSXZQHFKHKQA-UHFFFAOYSA-N,4,1,0.545,47,164,420.383,2.871,5,0.45,0.61,1.0,0.8561527654033309,0.7732420670276198,0.6420995819340689,0.6288636830923172,0.7250895243643342
EOS-4-08804,COc1ccc(-c2nnc3cncc(OCCc4ccnnc4)n23)cc1-c1ncccc1F,GBROIBVMKJQOKM-UHFFFAOYSA-N,4,1,0.543,35,925,443.442,3.413,5,0.377,0.71,1.0,0.8652422726338154,0.7517904872866835,0.5644232746213419,0.46813103968199576,0.6623967685559591
EOS-4-08805,Cc1ccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)nn1,JUZFWGBJOZCBKU-UHFFFAOYSA-N,4,1,0.562,72,626,461.888,4.366,5,0.347,0.66,1.0,0.9191110958810226,0.9439380439997258,0.717659858817079,0.7150469467479953,0.8239389863614557
EOS-4-08806,FC(F)Oc1ccc(-c2nnc3cncc(OCc4ncc(-c5nccs5)cn4)n23)cc1,CWVHKJWINVBIMW-UHFFFAOYSA-N,4,1,0.628,27,996,453.434,3.885,5,0.366,0.75,1.0,0.8232043725584264,0.8625865259406483,0.618163593996299,0.5485830306353231,0.7131343807826741
EOS-4-08807,Cc1nccc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cc2F)n1,VKFOAADKRNEETH-UHFFFAOYSA-N,4,1,0.489,37,563,462.876,3.761,5,0.351,0.69,1.0,0.9562144472620109,0.9354567884312247,0.4722431635939963,0.4618257830169282,0.7064350455760401
EOS-4-08809,Fc1nc(-c2ccsn2)ccc1-c1nnc2cncc(OCc3ccnc(C(F)F)n3)n12,DRSYBBGIRDCJOW-UHFFFAOYSA-N,4,1,0.467,24,28,456.413,3.756,5,0.356,0.6,1.0,0.5201065725447194,0.6324874922897676,0.4583476115413611,0.3924251250771023,0.5008417003632376
EOS-4-08810,Cn1ncc(-c2ccc(-c3nnc4cncc(OCc5cc(F)ccc5F)n34)cc2)n1,USVVTCWJNXYDRR-UHFFFAOYSA-N,4,1,0.575,43,178,419.395,3.444,5,0.434,0.73,1.0,0.8561613323281475,0.710617846617778,0.7914981838119388,0.7622678363374683,0.7801362997738331
EOS-4-08811,CNC(=O)c1ccc(-c2cncc3nnc(-c4ncncc4-c4cccc(F)c4)n23)cc1F,QSAKERHJYMQBLQ-UHFFFAOYSA-N,4,1,0.318,96,648,443.417,3.553,5,0.456,0.87,0.998,0.2209409910218628,0.23361147282571448,0.6919676512918923,0.6984099787540264,0.46123252347337407
EOS-4-08812,Cc1c(-c2nnc3cncc(OCCc4ccncc4F)n23)cnn1-c1ccc(Cl)c(Cl)c1,VFOYYNKQNSUACX-UHFFFAOYSA-N,4,1,0.511,84,161,484.322,4.748,5,0.346,0.71,1.0,0.40758858200260434,0.447647522445343,0.7693184154615859,0.8290812829826606,0.6134089507230485
EOS-4-08813,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)no4)n23)c(F)c1F,YXYZHWPHOVWWAQ-UHFFFAOYSA-N,4,1,0.306,73,836,452.356,2.68,5,0.441,0.67,1.0,0.337451168528545,0.37852100609965045,0.4928551847028991,0.4586988554588445,0.41688155369748475
EOS-4-08814,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(F)c(F)c4)n23)c(F)c1,RXRMHIKTPPODHJ-UHFFFAOYSA-N,4,1,0.419,0,999,409.371,3.768,5,0.557,0.86,1.0,0.4488554588444932,0.5609622369954081,0.8082122541292578,0.880131587965184,0.6745403844835858
EOS-4-08815,N#Cc1cnc(-c2cnccc2-c2nnc3cncc(OCc4cnc(Cl)cn4)n23)nc1,PSTLANGPDIDVPR-UHFFFAOYSA-N,4,1,0.444,7,535,442.83,2.537,5,0.398,0.6,0.985,0.5842300047974779,0.6324960592145843,0.32209067233225963,0.3537625933794805,0.4731448324309506
EOS-4-08816,N=c1cc(-c2cnc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)[nH]cn1,QTUOTFXQRKWIMA-UHFFFAOYSA-N,4,1,0.43,18,773,429.419,2.211,5,0.423,0.59,1.0,0.5434171749708725,0.42978548420259066,0.40040949900623674,0.3441248029607292,0.42943424028510724
EOS-4-08817,N#Cc1ccc(-c2nnc3cncc(Cc4ccc(F)c(C#N)n4)n23)c(Cl)c1,KNWXPXMSOXJKHO-UHFFFAOYSA-N,4,1,0.411,90,9,389.781,3.313,4,0.532,0.75,1.0,0.4097560139812213,0.5801607155095607,0.9014632307586868,0.9259046672606401,0.7043211568775273
EOS-4-08818,Fc1cnccc1CCOc1cncc2nnc(-c3cc(Cl)nc(-c4cscn4)c3)n12,UEEQUPYQUQRHSO-UHFFFAOYSA-N,4,1,0.54,75,583,453.89,4.119,5,0.357,0.59,1.0,0.7767031046535535,0.8027808237954903,0.5839387293537112,0.6205023644712494,0.6959812555685011
EOS-4-08819,O=C(NCCF)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,NKEFSXNAYYZUSU-UHFFFAOYSA-N,4,1,0.695,48,378,439.878,3.766,4,0.452,0.87,1.0,0.7415615790555822,0.49665889932149954,0.5839472962785278,0.5553252004660407,0.5943732437804126
EOS-4-08820,N#Cc1ccc(-c2nnc3cncc(OCc4ccncc4F)n23)cc1-c1nc[nH]n1,NUUQBLHKEWQBNE-UHFFFAOYSA-N,4,1,0.478,47,256,413.376,2.561,5,0.465,0.63,1.0,0.8892382290453019,0.6618206428620382,0.667320608594339,0.6288722500171339,0.7118129326297032
EOS-4-08821,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5cocn5)c4)n23)ccc1F,SIOBCWGSUWUUJD-UHFFFAOYSA-N,4,1,0.548,24,912,414.36,2.826,5,0.426,0.65,1.0,0.689885888561442,0.5995733671441299,0.5241672949078199,0.45546055787814405,0.5672717771228839
EOS-4-08823,FCn1nccc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)c(F)c1,RFJNXBFWXCYKGA-UHFFFAOYSA-N,4,1,0.57,35,619,433.422,3.737,5,0.389,0.74,1.0,0.6561150709341375,0.5748320882735933,0.6181721609211157,0.6020063737920636,0.6127814234802276
EOS-4-08824,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CC(F)C5)cc4F)n23)cc1F,KFLQETKXDUAIEI-UHFFFAOYSA-N,4,1,0.351,0,901,480.45,3.28,5,0.473,0.8,1.0,0.3812966897402508,0.4117606743883216,0.3745202522102666,0.4335120964978411,0.40027242820917003
EOS-4-08825,CCc1ccc(-c2cc(-c3nnc4cncc(OCc5cc(F)ncc5F)n34)ncn2)cn1,RGVVBBJXQAHXGF-UHFFFAOYSA-N,4,1,0.39,46,395,446.421,3.458,5,0.365,0.55,0.928,0.6354173805770681,0.5191556438900692,0.5870228222877116,0.5020132273319169,0.5609022685216914
EOS-4-08826,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1cnco1,SXSHARZJUHMGSV-UHFFFAOYSA-N,4,1,0.545,35,103,466.86,4.264,5,0.328,0.66,1.0,0.8837211294633678,0.7602032074566514,0.7809180316633542,0.7011856623946269,0.7815070077445001
EOS-4-08827,Clc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ncccn5)nc4)n23)c1,DTZQIZVBCINJOZ-UHFFFAOYSA-N,4,1,0.544,65,262,430.859,3.313,5,0.404,0.74,1.0,0.8427283942156124,0.8927506682201357,0.3402696867932287,0.3734665204578165,0.6123038174216984
EOS-4-08828,Fc1cc(COc2cncc3nnc(-c4cc(-c5cncs5)ccn4)n23)cnc1Cl,CANLCAIMBNTPRN-UHFFFAOYSA-N,4,1,0.416,46,160,439.863,4.076,5,0.381,0.63,1.0,0.6441213761908026,0.5515214858474402,0.670053457610856,0.6813789322184909,0.6367688129668975
EOS-4-08829,Cc1cnc(-c2nc(-c3nnc4cncc(OCc5ccnc(C)c5F)n34)ccc2F)nc1,PXCYTCJHRZGXET-UHFFFAOYSA-N,4,1,0.375,46,62,446.421,3.512,5,0.404,0.64,1.0,0.6959427044068262,0.5609708039202248,0.4004180659310534,0.3569837571105476,0.503578832842163
EOS-4-08830,Cc1ccnc(OCc2cncc3nnc(-c4ccc(-c5ncc(Cl)nn5)c(F)c4)n23)c1,XWIZSLHZNDRKGJ-UHFFFAOYSA-N,4,1,0.392,14,351,448.849,3.718,5,0.4,0.67,1.0,0.632376122267151,0.6958741690082928,0.49620485230621614,0.49539956137344937,0.5799636762387773
EOS-4-08831,Cc1nc(-c2ccc(-c3nnc4cncc(OCc5ccncc5F)n34)cn2)[nH]c1F,IORUHYYVBHGFLA-UHFFFAOYSA-N,4,1,0.451,55,239,420.383,3.137,5,0.465,0.66,0.988,0.6500839558632033,0.6419111095881023,0.5644318415461586,0.5085840586663012,0.5912527414159413
EOS-4-08832,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5ccnnc5)cc4F)n23)cn1,YQKYGOBARWPELK-UHFFFAOYSA-N,4,1,0.585,37,202,428.431,3.107,5,0.406,0.65,1.0,0.8561698992529642,0.8766876841888835,0.4826262764717977,0.4335206634226578,0.6622511308340758
EOS-5-00001,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c(F)c1F,QTWRJAPIOYBVGL-UHFFFAOYSA-N,5,1,0.757,23,627,422.769,4.623,4,0.267,0.77,1.0,0.9993403467891165,0.9995716537591666,0.9909190596943321,0.9941659241998492,0.9959992461106161
EOS-5-00006,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1Br,WRFFMBMNLCDXGN-UHFFFAOYSA-N,5,1,0.812,23,721,445.267,4.762,4,0.445,0.78,1.0,0.9913388390103488,0.9893855801521486,0.9568569666232609,0.9461054759783428,0.9709217154410253
EOS-5-00008,Fc1nc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)ccc1Br,LDRWGVLNVCVWRZ-UHFFFAOYSA-N,5,1,0.667,23,385,448.683,4.363,4,0.424,0.78,1.0,0.9883832499485985,0.9916301144541155,0.8143547392228085,0.8636316907682818,0.9144999485984512
EOS-5-00012,Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c2ncccc12,NQKADBIKMMAKJP-UHFFFAOYSA-N,5,1,0.667,91,660,419.847,4.754,5,0.411,0.75,1.0,0.9967617024192996,0.9969073401411829,0.8638972654375985,0.9053440477006374,0.9407275889246796
EOS-5-00015,FC(F)(Cl)Oc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,CHCSETINQPIQTP-UHFFFAOYSA-N,5,1,0.711,48,305,452.248,4.629,4,0.381,0.8,1.0,0.9862243848947981,0.9813755054485642,0.9765180590775135,0.9655780960866287,0.9774240113768762
EOS-5-00017,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc2cnccc12,ZSYCIUMJWKDWAU-UHFFFAOYSA-N,5,1,0.707,91,70,419.847,4.754,5,0.411,0.79,1.0,0.9945942704406826,0.9962990884791995,0.9221180864916729,0.9421047220889589,0.9637790418751284
EOS-5-00018,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)nc4)n23)cc1,YVUFAKZQHQNOHF-UHFFFAOYSA-N,5,1,0.714,79,881,443.894,5.254,5,0.342,0.83,1.0,0.9788311287780138,0.9846652045781646,0.7717000205606196,0.7745528065245699,0.877437290110342
EOS-5-00020,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1OC(F)F,ABSDVSRWZUAYNJ-UHFFFAOYSA-N,5,1,0.696,90,305,435.793,4.202,4,0.433,0.71,1.0,0.9801504351997807,0.985299157014598,0.9545695976972106,0.9476046878212597,0.9669059694332123
EOS-5-00021,Fc1cnc(CCOc2cncc3nnc(-c4ccc(OC(F)(F)F)cc4)n23)cc1F,ZVOJDTWFOAZYIB-UHFFFAOYSA-N,5,1,0.658,90,305,437.328,3.985,4,0.425,0.77,1.0,0.9788396957028305,0.9846737715029813,0.9892570762798986,0.9768007675964636,0.9823928277705435
EOS-5-00023,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)nc1F,HVDORXSVCCFRKO-UHFFFAOYSA-N,5,1,0.76,48,305,419.338,3.687,4,0.336,0.74,1.0,0.9940802549516825,0.9928209170036324,0.9494380097320266,0.9278236584195737,0.9660407100267288
EOS-5-00024,FC(c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1)C(F)(F)F,TTXVEOJGMYUDHB-UHFFFAOYSA-N,5,1,0.61,48,305,451.811,5.034,4,0.384,0.69,1.0,0.9788482626276471,0.9770749091905969,0.9936947433349325,0.9895654855732986,0.9847958501816187
EOS-5-00025,Fc1cc(-c2nnc3cncc(OCCc4cccs4)n23)ccc1-c1ncc(Cl)cn1,YNCWRXSMMNJOFE-UHFFFAOYSA-N,5,1,0.642,37,141,452.902,4.724,5,0.371,0.78,1.0,0.9788568295524639,0.9652868206428621,0.6181807278459325,0.6695051744225893,0.807957388115962
EOS-5-00026,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1C(F)(F)F,HEHUUNWLHRVBTH-UHFFFAOYSA-N,5,1,0.605,90,400,437.784,4.619,4,0.426,0.68,1.0,0.9730570214515798,0.9797392228085806,0.9922983345898156,0.9866869988348982,0.9829453944212185
EOS-5-00027,Clc1ccc(-c2nnc3cncc(OCCc4cc(Br)ccn4)n23)cc1,IFSCIOAYJZICNN-UHFFFAOYSA-N,5,1,0.676,90,400,430.693,4.224,4,0.474,0.82,1.0,0.9703498732095127,0.9868497704064149,0.7074309505859776,0.7908128298266054,0.8638608560071277
EOS-5-00028,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ncc(Cl)cn1,QEGXGQXGGSIKAZ-UHFFFAOYSA-N,5,1,0.576,35,325,465.851,4.196,5,0.347,0.73,1.0,0.9782657117401138,0.9710523610444795,0.7574874922897676,0.7816205194983209,0.8721065211431704
EOS-5-00029,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ncccn1,MDACRSAYESBZJG-UHFFFAOYSA-N,5,1,0.598,35,325,447.861,4.057,5,0.362,0.69,1.0,0.9703584401343294,0.9722774312932629,0.6973219793023097,0.720367007059146,0.840081214447262
EOS-5-00030,Fc1cc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cnc1F,SBDOECWHQXSGIY-UHFFFAOYSA-N,5,1,0.731,90,305,419.338,3.687,4,0.336,0.77,1.0,0.9881262422040984,0.9924782400109656,0.964952710575012,0.9453687204441094,0.9727314783085463
EOS-5-00034,Clc1ccc(-c2nnc3cncc(OCCc4cc(Br)ncn4)n23)cc1,UYMBMUVIUZRXQO-UHFFFAOYSA-N,5,1,0.649,90,400,431.681,3.619,4,0.449,0.81,1.0,0.9673857172229456,0.9806901514632308,0.527645466383387,0.6231324103899664,0.7747134363648825
EOS-5-00038,Clc1ccc(-c2nnc3cncc(OCCc4c(Cl)cncc4Cl)n23)cc1,CHPDQDYIMBBPFP-UHFFFAOYSA-N,5,1,0.797,90,281,420.687,4.768,4,0.465,0.78,1.0,0.9847080392022479,0.9864985264889315,0.8981049962305531,0.9562401480364608,0.9563879274895484
EOS-5-00040,Fc1ccc(CCOc2cncc3nnc(-c4ccc(OCc5ccc(Cl)cc5)cc4)n23)cn1,IIWIXIPTGZWDPV-UHFFFAOYSA-N,5,1,0.667,79,397,475.911,5.179,5,0.288,0.81,1.0,0.9801590021245974,0.9765437598519635,0.9133541224042218,0.8980792954561031,0.9420340449592215
EOS-5-00043,Fc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(C(F)(F)F)c1,UXHQMRZWVYTOPF-UHFFFAOYSA-N,5,1,0.553,90,281,437.784,4.619,4,0.426,0.73,1.0,0.9610804605578781,0.9689962990884792,0.9905506819272154,0.9847080392022479,0.9763338701939552
EOS-5-00046,Fc1nccc(CCOc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)c1F,DROROQLCXXMMIB-UHFFFAOYSA-N,5,1,0.7,90,305,419.338,3.687,4,0.336,0.76,1.0,0.9804845452676307,0.9907991227468987,0.9653896237406621,0.9461140429031595,0.9706968336645877
EOS-5-00052,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccc5)nn4)n23)cc1,XUTWWZPPHZWDOS-UHFFFAOYSA-N,5,1,0.61,79,881,444.882,4.649,5,0.361,0.74,1.0,0.935216914536358,0.9740507847303133,0.5410270029470221,0.5990936193543965,0.7623470803920225
EOS-5-00053,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccn5)cn4)n23)cc1,QYESYOLAPDYBLB-UHFFFAOYSA-N,5,1,0.624,11,275,444.882,4.649,5,0.361,0.76,1.0,0.9383095743951751,0.9696902199986293,0.632607429237201,0.6231409773147831,0.7909370502364471
EOS-5-00054,Clc1ccc(COc2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2)cc1,BOYDDECYXONPLJ-UHFFFAOYSA-N,5,1,0.712,79,397,457.921,5.04,5,0.325,0.8,1.0,0.9590843670755945,0.9439466109245426,0.8041086971420739,0.7862209581248715,0.8733401583167707
EOS-5-00061,Clc1cnnc(CCOc2cncc3nnc(-c4ccc(Br)cc4)n23)c1,LLROHCLAVHKRIF-UHFFFAOYSA-N,5,1,0.667,90,400,431.681,3.619,4,0.48,0.79,1.0,0.9362792132136248,0.9717548488794462,0.49286375162771573,0.6288808169419505,0.7574446576656844
EOS-5-00063,Cc1cc(-c2nnc3cncc(OCCc4cnc(Cl)c(Cl)c4)n23)ccc1Cl,GTXGEMYAJAXZNM-UHFFFAOYSA-N,5,1,0.603,90,281,434.714,5.076,4,0.41,0.74,1.0,0.9372901103419916,0.9584247138647112,0.9182287026249057,0.9482986087314098,0.9405605338907546
EOS-5-00064,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cscn1,FYZNUOCORZUIEG-UHFFFAOYSA-N,5,1,0.59,11,595,452.902,4.724,5,0.347,0.66,1.0,0.9362877801384415,0.9439551778493592,0.7832225344390378,0.8063532314440408,0.8674546809677198
EOS-5-00066,Fc1ccc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)cc1-c1ncccn1,JLECRNGTQARVDL-UHFFFAOYSA-N,5,1,0.549,97,300,433.834,4.015,5,0.386,0.72,1.0,0.9529932835309437,0.9293571379617572,0.7598605304639846,0.7721969021999863,0.853601963539168
EOS-5-00070,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)cc1F,BFAZTOFUAXVZEZ-UHFFFAOYSA-N,5,1,0.679,84,28,454.437,4.349,5,0.355,0.69,1.0,0.9282434377355905,0.9397402508395586,0.7761633883901035,0.7722054691248029,0.8540881365225139
EOS-5-00071,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)ccc1F,CSGLIXFMUFGZGE-UHFFFAOYSA-N,5,1,0.551,11,275,443.467,3.942,5,0.392,0.63,1.0,0.9352254814611747,0.9293657048865739,0.60001028030978,0.5617246933040916,0.756581539990405
EOS-5-00072,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)ccc1F,DTYIOVLHTZNDQP-UHFFFAOYSA-N,5,1,0.552,15,922,443.467,3.942,5,0.392,0.68,1.0,0.9372986772668083,0.9203275992049894,0.6151908710849153,0.5777105750119937,0.7626319306421767
EOS-5-00073,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccn5)nn4)n23)cc1,PBBIWOSPRGMVQB-UHFFFAOYSA-N,5,1,0.583,72,275,445.87,4.044,5,0.37,0.75,1.0,0.8892467959701186,0.9652953875676787,0.40761428277705436,0.43021383044342404,0.6730925741895689
EOS-5-00075,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccccc1F,KFQBJJKWUZXTRL-UHFFFAOYSA-N,5,1,0.595,91,955,441.466,4.623,5,0.367,0.78,1.0,0.9562230141868275,0.8712648207799328,0.8250805290932767,0.7597748612158179,0.8530858063189637
EOS-5-00077,Fc1cc(-c2nnc3cncc(OCCc4nccs4)n23)ccc1-c1ncc(Cl)cn1,BIZAQWQWUXTZIJ-UHFFFAOYSA-N,5,1,0.642,37,141,453.89,4.119,5,0.382,0.69,1.0,0.9362963470632581,0.9127715715166884,0.3929391405661024,0.47112946336782946,0.6782841306284696
EOS-5-00080,Fc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1OC1CCC1,YRAZLUPKXAVGNK-UHFFFAOYSA-N,5,1,0.593,90,636,439.878,4.532,5,0.421,0.71,1.0,0.9352340483859913,0.9203361661298061,0.472251730518813,0.6494928380508532,0.7443286957713658
EOS-5-00081,Fc1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)ccn1,JHEAGQIWZRGZSF-UHFFFAOYSA-N,5,1,0.61,35,919,430.418,4.148,5,0.377,0.71,1.0,0.9440836817216092,0.9383181413199918,0.8653879103556987,0.852023507641697,0.8999533102597491
EOS-5-00083,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)ccc1-c1cscn1,LCFFPKPUUQGGKU-UHFFFAOYSA-N,5,1,0.686,91,777,465.485,4.823,5,0.343,0.75,1.0,0.955434857103694,0.8794291001302172,0.8723870879309163,0.7999708724556234,0.8768054794051128
EOS-5-00084,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccc4F)n23)ccc1-c1cccnn1,KOBPUDISHUNNHX-UHFFFAOYSA-N,5,1,0.536,91,313,460.444,4.157,5,0.36,0.65,1.0,0.935242615310808,0.9148619011719553,0.8422486464258789,0.7769172777739702,0.867317610170653
EOS-5-00086,Fc1ccc(-c2ncccn2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,IPMAAUSBSNCESR-UHFFFAOYSA-N,5,1,0.556,34,539,433.834,4.015,5,0.413,0.78,1.0,0.9011119868412035,0.962913782468645,0.6000188472345966,0.6695137413474059,0.7833895894729628
EOS-5-00090,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cn4)c3)n12,CULVEHPLAJRBSY-UHFFFAOYSA-N,5,1,0.558,75,583,447.861,4.057,5,0.362,0.67,1.0,0.9307706805565075,0.9018059077513536,0.6622232883284216,0.6871616064697417,0.7954903707765061
EOS-5-00097,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,PIIAFYUXPHVRPZ-UHFFFAOYSA-N,5,1,0.595,72,386,453.89,4.119,5,0.357,0.71,1.0,0.902748269481187,0.9293742718113905,0.6211020492084162,0.6608525803577547,0.7785192927146871
EOS-5-00098,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cccs1,GJKKGLGMCXYWHG-UHFFFAOYSA-N,5,1,0.534,11,729,447.495,4.684,5,0.337,0.72,1.0,0.9340089781372078,0.8737749297512165,0.7283171132890138,0.6231495442395998,0.7898126413542594
EOS-5-00100,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)ccc1-c1cscn1,UPRGJPNEFPOOAT-UHFFFAOYSA-N,5,1,0.692,91,955,463.95,5.198,5,0.33,0.75,1.0,0.9373072441916249,0.8898379137824687,0.7574960592145843,0.7066684942772942,0.8228274278664931
EOS-5-00101,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cncc(Cl)c3)n12,YZAIUPSEHPNCGK-UHFFFAOYSA-N,5,1,0.5,65,262,448.849,3.452,5,0.364,0.67,1.0,0.9135768624494551,0.9107412103351381,0.4219124802960729,0.47113803029264617,0.6793421458433281
EOS-5-00102,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cccs1,LCMINULYSMTXLK-UHFFFAOYSA-N,5,1,0.523,11,777,447.495,4.684,5,0.337,0.74,1.0,0.9307792474813241,0.8766962511137002,0.6864248509355082,0.590106915221712,0.7710018161880612
EOS-5-00103,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c(F)n2)nc1,WCJIMMMAGHFMKB-UHFFFAOYSA-N,5,1,0.535,58,262,466.839,3.591,5,0.35,0.62,1.0,0.915024672743472,0.9383267082448085,0.5479233774244398,0.5901154821465286,0.7478475601398122
EOS-5-00104,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,ZTKJIUGOMDLQLZ-UHFFFAOYSA-N,5,1,0.557,47,164,436.838,3.385,5,0.406,0.66,1.0,0.9296398464807073,0.8996127749982866,0.6266362826399835,0.6495014049756699,0.7763475772736618
EOS-5-00105,N#Cc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,PGNKTUOKTHPTEH-UHFFFAOYSA-N,5,1,0.511,11,201,459.922,4.456,5,0.345,0.66,1.0,0.9191196628058392,0.9042903159481872,0.7336457405249811,0.7365841957370982,0.8234099787540264
EOS-5-00106,FC(F)Oc1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)cc1,OBIMOYXUAASNSE-UHFFFAOYSA-N,5,1,0.701,90,305,418.791,3.458,4,0.454,0.7,1.0,0.9641474196422453,0.97452196559523,0.8162223288328422,0.8249862929202934,0.8949695017476527
EOS-5-00108,Fc1cc(F)c(F)c(-c2nnc3cncc(OCc4ccc(F)c(-c5cnco5)c4)n23)c1,KVPPLWQZVCWMFD-UHFFFAOYSA-N,5,1,0.556,59,13,441.344,4.582,5,0.294,0.68,1.0,0.9383181413199918,0.8470461243232129,0.977588924679597,0.9734253992186964,0.9340946473853745
EOS-5-00109,Fc1cc(-c2nnc3cncc(OCCc4cc(Cl)ncn4)n23)ccc1-c1nccs1,VZWNFLYNCRGWMN-UHFFFAOYSA-N,5,1,0.511,11,563,453.89,4.119,5,0.357,0.71,1.0,0.9043845521211706,0.9107497772599548,0.5207662257556027,0.564937290110342,0.7252094613117676
EOS-5-00110,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cc(F)ncn1,XESFPEKGCJXDME-UHFFFAOYSA-N,5,1,0.489,35,777,461.432,3.552,5,0.268,0.63,1.0,0.9449832088273593,0.8332448084435611,0.7049636762387773,0.5870742238366116,0.7675664793365773
EOS-5-00111,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1ncon1,ZJOYOGHKFRDUFK-UHFFFAOYSA-N,5,1,0.605,35,325,437.822,3.65,5,0.371,0.73,1.0,0.9268898636145569,0.8872592694126517,0.6326159961620177,0.6665495853608389,0.7783286786375163
EOS-5-00112,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)n1,OPWNZGDTWRDMQX-UHFFFAOYSA-N,5,1,0.539,37,563,462.876,3.761,5,0.375,0.64,1.0,0.9027568364060037,0.9277294222465904,0.46520115139469537,0.5020217942567337,0.6994273010760058
EOS-5-00113,FC(F)(F)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)cc1,ONIPWTSANFHWLY-UHFFFAOYSA-N,5,1,0.59,66,305,420.782,3.875,4,0.487,0.79,1.0,0.9474590500993764,0.9722859982180796,0.9667089301624289,0.9503546706874101,0.9592021622918238
EOS-5-00114,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)ccn1,VDAGPAHBTDZLRV-UHFFFAOYSA-N,5,1,0.588,11,201,434.912,4.585,5,0.364,0.7,1.0,0.9058837639640874,0.9293828387362073,0.6421081488588856,0.6550870399561374,0.7831154478788295
EOS-5-00116,Fc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1nncs1,ALNNTPUTQDMDEZ-UHFFFAOYSA-N,5,1,0.565,37,161,453.89,4.119,5,0.382,0.62,1.0,0.887430607908985,0.9257847303132067,0.6326245630868343,0.6871701733945583,0.7832525186758961
EOS-5-00117,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,BVBAWQUSYHCBNF-UHFFFAOYSA-N,5,1,0.511,11,201,459.922,4.456,5,0.345,0.66,1.0,0.9106298403125214,0.9018144746761703,0.6836406003700911,0.687178740319375,0.7958159139195394
EOS-5-00118,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncsn1,XRNLARCURNYWAH-UHFFFAOYSA-N,5,1,0.61,35,325,453.89,4.119,5,0.357,0.67,1.0,0.8994671372764033,0.9087536837776712,0.6092454252621479,0.652337057089987,0.7674508258515523
EOS-5-00120,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cc2F)cs1,VPJRPFHZHZZZHJ-UHFFFAOYSA-N,5,1,0.588,11,669,466.929,5.032,5,0.326,0.72,1.0,0.9191282297306559,0.914870468096772,0.7074395175107944,0.7037386059899938,0.811294205332054
EOS-5-00121,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncon1,JCXWFMMMVZPWGQ-UHFFFAOYSA-N,5,1,0.61,35,325,437.822,3.65,5,0.371,0.74,1.0,0.9282520046604071,0.8737834966760332,0.6389983551504352,0.6608611472825714,0.7754737509423617
EOS-5-00125,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccc(C#N)nn1,NYFGTRNAHIHUJU-UHFFFAOYSA-N,5,1,0.505,72,925,468.452,3.284,5,0.354,0.68,1.0,0.9363049139880748,0.8872678363374683,0.6592934000411212,0.5485915975601399,0.7578644369817011
EOS-5-00126,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1Cl,YXZXILZIWCTVKR-UHFFFAOYSA-N,5,1,0.588,35,626,449.877,4.001,5,0.364,0.73,1.0,0.9121376190802549,0.8819049414022343,0.6973305462271263,0.6930470838187924,0.796105047632102
EOS-5-00127,COc1cc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1cc(F)cnn1,FEFMMZCCOWCFNW-UHFFFAOYSA-N,5,1,0.558,43,383,446.417,4.114,5,0.388,0.71,1.0,0.9307878144061408,0.8401925844698787,0.8596138030292646,0.8063617983688575,0.8592390000685354
EOS-5-00128,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)cs1,PAOYOWWNUGGWHU-UHFFFAOYSA-N,5,1,0.581,11,595,466.929,5.032,5,0.326,0.72,1.0,0.9121461860050716,0.9185028442190392,0.7176684257418957,0.7176512918922624,0.8164921869645672
EOS-5-00132,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCC5COc6ccccc6O5)n34)cc2F)n1,VXIVQOVSFCBRFK-UHFFFAOYSA-N,5,1,0.462,15,309,471.452,3.31,6,0.381,0.65,1.0,0.9383267082448085,0.9018230416009869,0.5806147625248441,0.5156003700911521,0.7340912206154478
EOS-5-00133,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cc2F)n1,CGJDBKACDGMTAL-UHFFFAOYSA-N,5,1,0.495,37,563,463.864,3.156,5,0.35,0.63,1.0,0.9011205537660202,0.9167723254060722,0.2892279487355219,0.31577684874237544,0.6057244191624975
EOS-5-00136,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)ccc1-c1cocn1,AFIRGDUNPSYWAV-UHFFFAOYSA-N,5,1,0.51,11,777,457.425,3.482,5,0.361,0.65,1.0,0.9352511822356246,0.8182012884654924,0.6063326708244808,0.4681396066068124,0.7069811870331026
EOS-5-00137,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)nn1,PYMDHBQHEOKPQR-UHFFFAOYSA-N,5,1,0.602,35,619,444.43,2.808,5,0.374,0.69,1.0,0.9135854293742718,0.8683520663422658,0.33346754848879445,0.2760862860667535,0.5978728325680215
EOS-5-00139,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(F)c2)n1,HDOGKYWGVATAKT-UHFFFAOYSA-N,5,1,0.522,37,563,462.876,3.761,5,0.375,0.65,1.0,0.8855544513741347,0.927737989171407,0.46174011376876156,0.49838941813446647,0.6933554931121925
EOS-5-00141,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,UWYNSZOMAJHAEI-UHFFFAOYSA-N,5,1,0.511,11,201,443.467,3.942,5,0.366,0.66,1.0,0.9058923308889041,0.8794376670550339,0.6836491672949078,0.6435645260777192,0.7781359228291412
EOS-5-00142,Cn1c(Cl)cnc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1F,PHVOCNGIGQOBRV-UHFFFAOYSA-N,5,1,0.612,37,563,449.877,4.001,5,0.389,0.65,1.0,0.9011291206908368,0.884646357343568,0.5548111849770406,0.5870827907614283,0.7319173634432184
EOS-5-00143,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1F,IUKULRZNUVMORF-UHFFFAOYSA-N,5,1,0.558,37,161,451.412,3.626,5,0.392,0.64,1.0,0.9043931190459873,0.8767048180385169,0.7832311013638544,0.7597834281406346,0.8310281166472483
EOS-5-00145,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1cccs1,JELGMBRZHUEJDD-UHFFFAOYSA-N,5,1,0.511,35,777,447.495,4.684,5,0.361,0.72,1.0,0.9150332396682886,0.8502073195805634,0.7283256802138305,0.6435730930025358,0.7842848331163046
EOS-5-00147,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(F)n2)nc1,BKAFPPWCEPRWSS-UHFFFAOYSA-N,5,1,0.505,73,263,466.839,3.591,5,0.35,0.65,1.0,0.8980107600575697,0.9203447330546227,0.4862757864436982,0.5518898636145569,0.7141302857926118
EOS-5-00153,Cc1ncc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cc2C#N)nn1,RZDKZNIQRKRMBR-UHFFFAOYSA-N,5,1,0.558,43,250,438.426,3.542,5,0.409,0.68,1.0,0.9121547529298882,0.8652080049345487,0.7150640805976287,0.6898773216366253,0.7955760400246729
EOS-5-00156,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,JOAHLFPIHAUOPE-UHFFFAOYSA-N,5,1,0.539,35,161,459.922,4.456,5,0.369,0.67,1.0,0.8874391748338016,0.8974282091700363,0.691976218216709,0.7066770612021109,0.7958801658556645
EOS-5-00158,Fc1ccc(CCOc2cncc3nnc(-c4cncc(Br)c4)n23)cc1F,XEPLATHMSJASJA-UHFFFAOYSA-N,5,1,0.743,23,281,432.228,3.849,4,0.48,0.77,1.0,0.9135939962990884,0.8898464807072853,0.8981135631553697,0.8992700980056199,0.9002060345418408
EOS-5-00159,COc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccc(F)cn1,AMNBKBXCRXWFGE-UHFFFAOYSA-N,5,1,0.557,35,777,442.454,4.018,5,0.376,0.73,1.0,0.9204818038516894,0.8182098553903091,0.6945120279624426,0.5933537797272291,0.7566393667329175
EOS-5-00161,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cccc(F)n1,HKXPFRMCMXJMAG-UHFFFAOYSA-N,5,1,0.516,11,275,476.899,4.671,5,0.315,0.71,1.0,0.9523079295456103,0.9087622507024878,0.7509766294291002,0.7037471729148105,0.8289484956480021
EOS-5-00162,Fc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccc2F)cn1,HOKIEBDKMXVPCH-UHFFFAOYSA-N,5,1,0.517,4,31,451.824,4.154,5,0.293,0.73,1.0,0.8632290453018985,0.9127801384415051,0.8639058323624151,0.8667928860256322,0.8766769755328627
EOS-5-00163,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncccn1,MQSUDNMFBMRCRD-UHFFFAOYSA-N,5,1,0.54,35,729,459.897,3.927,5,0.337,0.68,1.0,0.9282605715852238,0.8027893907203071,0.5378144061407717,0.45238503186896034,0.6803123500788157
EOS-5-00165,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cc4)n23)ccc1-c1cnco1,BEVAWFYUJSWHPG-UHFFFAOYSA-N,5,1,0.72,91,955,431.427,4.216,5,0.381,0.69,1.0,0.9508943869508601,0.7690185730930026,0.7933743403467891,0.6871873072441916,0.8001186519087109
EOS-5-00166,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,BJUXIQLFRMKCED-UHFFFAOYSA-N,5,1,0.505,11,201,443.467,3.942,5,0.366,0.69,0.995,0.8892553628949352,0.8794462339798506,0.6421167157837023,0.6083458981563977,0.7547910527037214
EOS-5-00167,COc1ccc(-c2nnc3cncc(OCc4cccc(F)c4Cl)n23)cc1-c1nccs1,RWOVCISXLZBNTL-UHFFFAOYSA-N,5,1,0.522,1,383,467.913,5.295,5,0.337,0.75,1.0,0.9282691385100404,0.85021588650538,0.8653964772805154,0.8269823864025769,0.8677159721746281
EOS-5-00168,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)ncn5)n34)cc2F)n1,BTICIKKALYELDL-UHFFFAOYSA-N,5,1,0.484,37,563,463.864,3.156,5,0.35,0.66,1.0,0.8837296963881845,0.9042988828730039,0.3334761154136111,0.37003975053114935,0.6228861113014873
EOS-5-00171,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncsn5)c(Cl)c4)n23)ccn1,RFNPSAWRKAEXMI-UHFFFAOYSA-N,5,1,0.61,35,325,453.89,4.119,5,0.357,0.64,1.0,0.8740062367212665,0.8927592351449524,0.6092539921869645,0.655095606880954,0.7577787677335344
EOS-5-00172,Fc1cnc(Oc2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)c(F)c1,UZAVQRWMACIVFI-UHFFFAOYSA-N,5,1,0.528,35,161,465.395,3.807,5,0.358,0.73,1.0,0.8910201494071688,0.9018316085258036,0.7785878281132205,0.7066856281269276,0.8195313035432801
EOS-5-00173,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(F)n2)nc1,WOUDMQWCZJTKNH-UHFFFAOYSA-N,5,1,0.489,58,262,462.876,3.761,5,0.351,0.67,1.0,0.8837382633130012,0.8996213419231033,0.3481426906997464,0.37980604482215063,0.6278270851895004
EOS-5-00174,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nnc1Cl,QGJZYNIWKNWYBJ-UHFFFAOYSA-N,5,1,0.485,58,904,462.876,3.761,5,0.375,0.67,1.0,0.8609074086765814,0.9203532999794394,0.5176564320471524,0.5253409636077033,0.7060645260777191
EOS-5-00175,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cc2F)nn1,VTYGZKQJHUSFHM-UHFFFAOYSA-N,5,1,0.612,15,563,444.43,2.808,5,0.374,0.69,1.0,0.894729627852786,0.8534027825371805,0.2670481803851689,0.22270577753409637,0.5594715920773079
EOS-5-00176,CS(=O)(=O)c1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,JVLGIUHNFVICLF-UHFFFAOYSA-N,5,1,0.746,48,636,429.889,2.865,4,0.464,0.82,1.0,0.8632376122267151,0.9483757110547598,0.26318449729285176,0.3441333698855459,0.6047327976149681
EOS-5-00177,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4nncs4)c3)n12,FEGHYPVAXSDWFE-UHFFFAOYSA-N,5,1,0.56,37,161,437.435,3.605,5,0.401,0.69,1.0,0.8928192036186691,0.8767133849633335,0.6296518401754506,0.6435816599273525,0.7606915221712014
EOS-5-00178,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)n1,LJVVCBFBWJMINE-UHFFFAOYSA-N,5,1,0.575,35,626,451.849,3.959,5,0.357,0.71,1.0,0.9136025632239051,0.8027979576451237,0.5479319443492564,0.5518984305393736,0.7040577239394147
EOS-5-00179,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,QNTAYZDPXZBPBM-UHFFFAOYSA-N,5,1,0.598,35,325,453.89,4.119,5,0.357,0.66,1.0,0.8696970735384826,0.889855047632102,0.6063412377492975,0.6495099719004866,0.7538508327050921
EOS-5-00180,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cccnn1,SOTNQBWTHZKULX-UHFFFAOYSA-N,5,1,0.51,72,925,443.442,3.413,5,0.353,0.69,1.0,0.9204903707765061,0.7861095881022548,0.5609365362209581,0.44907819888972655,0.6791536734973614
EOS-5-00181,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,ITZQEZOXVOJFQJ-UHFFFAOYSA-N,5,1,0.598,35,325,437.822,3.65,5,0.371,0.74,1.0,0.9059008978137207,0.8470546912480296,0.6356743883215681,0.6551041738057707,0.7609335377972722
EOS-5-00182,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cccs1,MQBSBYYPFLPGEK-UHFFFAOYSA-N,5,1,0.527,11,777,447.495,4.684,5,0.361,0.75,1.0,0.8947381947776026,0.8436450551709959,0.615199438009732,0.5424062778425056,0.723997241450209
EOS-5-00183,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,IPDDSVIABGDVOM-UHFFFAOYSA-N,5,1,0.523,37,832,453.89,4.119,5,0.382,0.68,1.0,0.8585429374271811,0.9018401754506202,0.5445137413474059,0.6083544650812145,0.7283128298266055
EOS-5-00184,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cccc(F)n5)n34)cc2F)n1,ZEPAMOGPEZKDEX-UHFFFAOYSA-N,5,1,0.505,37,639,446.421,3.246,5,0.366,0.62,1.0,0.879925981769584,0.8712733877047495,0.43671612637927487,0.4302223973682407,0.6545344733054622
EOS-5-00185,Clc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nccs1,MMCRQMUWRKGAEX-UHFFFAOYSA-N,5,1,0.625,35,201,434.912,4.585,5,0.389,0.76,1.0,0.8817593036803509,0.9018487423754369,0.5644404084709752,0.6020149407168802,0.7375158488109108
EOS-5-00186,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1F,JHCJRWPWSXWVAV-UHFFFAOYSA-N,5,1,0.57,35,353,433.422,3.487,5,0.381,0.72,1.0,0.9163611130148722,0.8470632581728462,0.6534079226920705,0.6146425878966486,0.7578687204441094
EOS-5-00187,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cccnc1,JHXBVBMXAYLLBN-UHFFFAOYSA-N,5,1,0.598,11,103,458.909,4.532,5,0.354,0.69,1.0,0.8980193269823864,0.847071825097663,0.6890377630045919,0.637893221849085,0.7680055342334315
EOS-5-00190,Fc1cc(-c2cnsn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,HKQOWKIGDKEYJR-UHFFFAOYSA-N,5,1,0.576,37,669,453.89,4.119,5,0.357,0.66,1.0,0.8697056404632993,0.8846549242683847,0.6506836406003701,0.6930556507436091,0.7745249640189158
EOS-5-00191,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,WSSSAVGWRNYJNK-UHFFFAOYSA-N,5,1,0.539,35,161,443.467,3.942,5,0.392,0.69,1.0,0.8817678706051676,0.8683606332670825,0.6919847851415256,0.657879857446371,0.7749982866150367
EOS-5-00192,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccsc1,YLOBPQPXUJKKGH-UHFFFAOYSA-N,5,1,0.553,35,103,447.495,4.684,5,0.337,0.65,1.0,0.9059094647385375,0.814371873072442,0.767048180385169,0.6665581522856555,0.788471917620451
EOS-5-00193,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)n1,YRZAXYBVQIARRE-UHFFFAOYSA-N,5,1,0.552,37,161,446.421,3.246,5,0.392,0.64,1.0,0.8817764375299842,0.862595092865465,0.5479405112740731,0.5253495305325201,0.7044153930505106
EOS-5-00194,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)n1,FXHHVMVLENKOHO-UHFFFAOYSA-N,5,1,0.484,65,263,449.837,2.847,5,0.36,0.69,1.0,0.8561784661777808,0.897436776094853,0.24202419299568226,0.2728308546364197,0.567117572476184
EOS-5-00195,Fc1cnc(CCOc2cncc3nnc(-c4ccc(OCC(F)(F)F)nc4)n23)cc1F,CSJQVIVEIOQINK-UHFFFAOYSA-N,5,1,0.539,90,281,452.343,3.422,4,0.397,0.72,1.0,0.8675039407854157,0.881913508327051,0.9615173737235282,0.9028682064286204,0.9034507573161539
EOS-5-00196,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)s3)n12,QZYJMALFWKQIME-UHFFFAOYSA-N,5,1,0.535,58,28,458.931,4.785,5,0.34,0.59,1.0,0.8609159756013981,0.8996299088479199,0.38935816599273526,0.46183434994174494,0.6529346000959496
EOS-5-00197,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cccnn1,WMANELAASVYCRD-UHFFFAOYSA-N,5,1,0.52,72,925,443.442,3.413,5,0.353,0.73,1.0,0.9176975532862723,0.7817147556713042,0.6063498046741141,0.4831831265848811,0.697236310054143
EOS-5-00201,COc1cc(-c2nnc3cncc(OCCc4cc(F)nc(F)n4)n23)ccc1-c1cocn1,FLZLKUQFUBEEJZ-UHFFFAOYSA-N,5,1,0.511,15,777,451.393,3.145,5,0.272,0.64,1.0,0.912163319854705,0.7903673497361388,0.49621341923103285,0.3766020149407169,0.6438365259406483
EOS-5-00203,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)c1,KHAQAJXBQMTLIF-UHFFFAOYSA-N,5,1,0.522,58,578,443.898,4.227,5,0.363,0.67,1.0,0.8427369611404291,0.9127887053663217,0.5609451031457748,0.5424148447673223,0.714721403604962
EOS-5-00205,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)c(F)c2)cs1,AKDLLXBKHNAXNN-UHFFFAOYSA-N,5,1,0.57,11,684,450.474,4.518,5,0.354,0.75,1.0,0.869714207388116,0.8683692001918991,0.6999348913713933,0.6551127407305873,0.773282759920499
EOS-5-00208,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,OURKBSAAGOOWKH-UHFFFAOYSA-N,5,1,0.605,35,325,453.89,4.119,5,0.357,0.62,1.0,0.8561870331025975,0.8898636145569186,0.5934565828250291,0.6349376327873346,0.74361121581797
EOS-5-00209,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,AWRROEGQKSIERP-UHFFFAOYSA-N,5,1,0.605,35,325,437.822,3.65,5,0.371,0.69,1.0,0.8963487766431362,0.8470803920224796,0.6240576382701666,0.6435902268521692,0.7527692584469879
EOS-5-00211,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)cs1,KDUAASWLLLFPHG-UHFFFAOYSA-N,5,1,0.558,11,275,466.929,5.032,5,0.349,0.76,1.0,0.8760280309780001,0.9018573093002535,0.6534164896168871,0.6665667192104722,0.7744671372764032
EOS-5-00212,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,POGUOIIXXHBFSL-UHFFFAOYSA-N,5,1,0.693,91,386,452.902,4.724,5,0.371,0.79,1.0,0.8283702282228771,0.9148790350215886,0.7915067507367556,0.8370570899869783,0.8429532759920499
EOS-5-00213,COc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)ccc1-c1cocn1,ISRPRIZQHQQTFV-UHFFFAOYSA-N,5,1,0.533,11,777,466.86,4.264,5,0.35,0.69,1.0,0.9231032828455897,0.7984630936878898,0.7336543074497979,0.6608697142073882,0.7790225995476665
EOS-5-00215,N#Cc1ncsc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,MTJYDAJWLUHPEY-UHFFFAOYSA-N,5,1,0.532,35,578,460.91,3.851,5,0.351,0.74,1.0,0.8427455280652457,0.9067233225961209,0.4329466794599411,0.45546912480296076,0.6594711637310671
EOS-5-00216,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)s3)n12,JNMPHTSQMOTQMW-UHFFFAOYSA-N,5,1,0.535,58,28,458.931,4.785,5,0.34,0.58,1.0,0.8632461791515318,0.8794548009046672,0.4617486806935782,0.5253580974573367,0.6824519395517784
EOS-5-00217,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)nc1Cl,DQSPNRKMYPPJPN-UHFFFAOYSA-N,5,1,0.676,90,400,411.252,3.986,4,0.462,0.79,1.0,0.9887430607908985,0.9886573915427318,0.8270252210266603,0.8829244054554177,0.9218375197039271
EOS-5-00218,Fc1cnc(-c2nccs2)cc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,ZFTKSKQQVHBGQB-UHFFFAOYSA-N,5,1,0.529,58,578,453.89,4.119,5,0.357,0.55,1.0,0.8585515043519978,0.8737920636008498,0.5032297306558837,0.5519069974641903,0.6968700740182303
EOS-5-00219,CCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nc1,YHRBOZTXGIGTKP-UHFFFAOYSA-N,5,1,0.516,65,904,442.458,3.361,5,0.378,0.7,1.0,0.8427540949900624,0.8996384757727366,0.3402782537180454,0.2819203618669043,0.5911477965869372
EOS-5-00221,Fc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c1,CHKDGMNDCYBPLM-UHFFFAOYSA-N,5,1,0.533,58,981,453.89,4.119,5,0.357,0.57,1.0,0.842762661914879,0.895192241792886,0.5445223082722226,0.587091357686245,0.7173921424165581
EOS-5-00222,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)c(Cl)c1,AZIVLSXSPNXFER-UHFFFAOYSA-N,5,1,0.618,90,281,420.687,4.768,4,0.435,0.73,1.0,0.9075800150777876,0.9682766774038791,0.9191624974299225,0.9599324926324446,0.9387379206360085
EOS-5-00223,COc1cc(-c2nnc3cncc(OCCc4cnnc(Cl)c4)n23)ccc1-c1cccnn1,SBBGHYCRFGPOGA-UHFFFAOYSA-N,5,1,0.495,72,925,460.885,3.322,5,0.36,0.7,1.0,0.8994757042012199,0.8143804399972586,0.4257504626139401,0.37661058186553353,0.629054297169488
EOS-5-00225,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nc1,KGNBYWYHCKMBKN-UHFFFAOYSA-N,5,1,0.533,65,262,444.886,3.622,5,0.366,0.76,1.0,0.8331505722705778,0.9043074497978206,0.34028682064286203,0.3346069494894113,0.6030879480501679
EOS-5-00226,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,VQTICRHGQCWBQY-UHFFFAOYSA-N,5,1,0.542,58,28,453.89,4.119,5,0.357,0.6,1.0,0.8427712288396957,0.892767802069769,0.45835617846617777,0.4983979850592831,0.6730732986087314
EOS-5-00228,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncsn5)c(F)c4)n23)ccn1,LJXWVKSDPDTCBP-UHFFFAOYSA-N,5,1,0.61,35,325,437.435,3.605,5,0.375,0.66,1.0,0.8799345486944007,0.8626036597902816,0.6092625591117813,0.6083630320060311,0.7400409499006237
EOS-5-00229,N#Cc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,WYKQIDHJTLFDHQ-UHFFFAOYSA-N,5,1,0.56,35,982,443.467,3.942,5,0.392,0.67,1.0,0.8609245425262148,0.8712819546295661,0.755414296484134,0.722868549105613,0.802622335686382
EOS-5-00230,COc1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1-c1nccnc1F,VDLZRKRXRCWMSP-UHFFFAOYSA-N,5,1,0.539,35,604,461.432,3.552,5,0.339,0.6,1.0,0.9075885820026044,0.7903759166609554,0.632633130011651,0.5219056267562195,0.7131258138578576
EOS-5-00231,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncsn5)cc4Cl)n23)ccn1,JEQZGQLTPQBKGI-UHFFFAOYSA-N,5,1,0.598,35,325,453.89,4.119,5,0.357,0.66,1.0,0.8473459666917963,0.8819220752518676,0.6063583715989308,0.6495185388253033,0.7462862380919746
EOS-5-00232,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,DFGUNWXQEDTFBQ-UHFFFAOYSA-N,5,1,0.542,58,28,453.89,4.119,5,0.357,0.6,1.0,0.8404410252895621,0.8927763689945857,0.44404941402234255,0.48319169350969776,0.6651146254540471
EOS-5-00233,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)cc2F)n1,VFNOZKYYHXCCPK-UHFFFAOYSA-N,5,1,0.558,37,202,429.419,2.502,5,0.401,0.64,1.0,0.8980278939072031,0.8846634911932013,0.27459564114865326,0.25821568089918445,0.5788756767870605
EOS-5-00234,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccc(F)nn1,JFJZYSPFIGRGET-UHFFFAOYSA-N,5,1,0.533,72,925,443.442,3.413,5,0.377,0.73,1.0,0.9121718867795217,0.760211774381468,0.5512901788773902,0.43657048865739156,0.6650610821739429
EOS-5-00235,Fc1nc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,BVQUBAFYRJZIKX-UHFFFAOYSA-N,5,1,0.523,58,271,454.878,3.514,5,0.359,0.64,1.0,0.8497361387156467,0.879463367829484,0.3402953875676787,0.41120382427523816,0.6201746795970119
EOS-5-00236,Fc1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1-c1ncsn1,HCFOHMXVOHLSSN-UHFFFAOYSA-N,5,1,0.585,35,325,437.435,3.605,5,0.375,0.72,1.0,0.8760365979028168,0.8626122267150983,0.5577239394147077,0.5746436159276266,0.7177540949900624
EOS-5-00237,Cn1c(F)cnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1F,OLGWWCTXXLOTMK-UHFFFAOYSA-N,5,1,0.602,35,619,433.422,3.487,5,0.408,0.67,1.0,0.9090192584469878,0.8221677746556096,0.6326416969364677,0.602023507641697,0.7414630594201905
EOS-5-00238,COc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1ccc(F)cn1,RLYNHFGBBASXOQ-UHFFFAOYSA-N,5,1,0.475,35,777,443.442,3.413,5,0.377,0.71,1.0,0.904401685970804,0.7817233225961209,0.4290744294428072,0.35066136659584674,0.6164652011513947
EOS-5-00239,Clc1ccc(-c2nnc3cncc(OCCc4cncc(Br)c4)n23)cn1,GRJHBEOBJQDLOC-UHFFFAOYSA-N,5,1,0.598,90,281,431.681,3.619,4,0.449,0.7,1.0,0.8257658830786101,0.9439637447741759,0.5934651497498458,0.6578884243711877,0.755270800493455
EOS-5-00240,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4Cl)n23)ccn1,ZDBIDPQCSMRPQA-UHFFFAOYSA-N,5,1,0.576,37,6,437.826,2.78,5,0.403,0.73,1.0,0.8542766088684806,0.8898721814817353,0.517664998971969,0.5683726269618258,0.7075466040710027
EOS-5-00241,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cncnc1,MQZVWTTWCWLPCT-UHFFFAOYSA-N,5,1,0.528,35,215,459.897,3.927,5,0.337,0.61,1.0,0.8980364608320197,0.8067987115345076,0.6783119731341237,0.5962065656911795,0.7448384277979576
EOS-5-00246,Fc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ncsn1,SAQIANFAJHURJO-UHFFFAOYSA-N,5,1,0.535,37,325,453.89,4.119,5,0.357,0.65,1.0,0.8497447056404633,0.8738006305256665,0.4962219861558495,0.5714824206702762,0.697812435748064
EOS-5-00247,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1-c1cnco1,DFTHGQXRLNUYPU-UHFFFAOYSA-N,5,1,0.527,11,103,450.405,3.75,5,0.346,0.63,1.0,0.9191367966554725,0.7198187238708793,0.7176769926667124,0.5933623466520458,0.7374987149612775
EOS-5-00248,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nc1,KVBJMDBPMDNEFS-UHFFFAOYSA-N,5,1,0.511,65,904,444.43,2.808,5,0.374,0.64,1.0,0.8609331094510314,0.8595966691796313,0.3745288191350833,0.2790504420533205,0.5935272599547666
EOS-5-00249,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nncs4)cc3Cl)n12,KVWVEIVFSNIGKE-UHFFFAOYSA-N,5,1,0.571,37,832,453.89,4.119,5,0.382,0.75,1.0,0.8355578781440615,0.889880748406552,0.6296604071002673,0.6784404770063738,0.7583848776643136
EOS-5-00250,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nc4F)n23)cn1,AQUKNAWTQUAUPX-UHFFFAOYSA-N,5,1,0.523,58,271,432.394,2.938,5,0.377,0.63,1.0,0.8910287163319854,0.859605236104448,0.49623055308066616,0.48005619902679736,0.6817301761359743
EOS-5-00251,Clc1ccc(-c2nnc3cncc(OCCc4cc(Br)no4)n23)cc1,CLWQBAMRMRUGOA-UHFFFAOYSA-N,5,1,0.761,90,400,420.654,3.817,4,0.488,0.8,1.0,0.929648413405524,0.9461483106024261,0.5032382975807004,0.6205109313960661,0.7498864882461791
EOS-5-00252,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1-c1cccnn1,NTGVACGHOHEXHS-UHFFFAOYSA-N,5,1,0.5,72,925,461.432,3.552,5,0.339,0.64,1.0,0.8817850044548009,0.8402011513946953,0.6593019669659379,0.5553337673908574,0.7341554725515729
EOS-5-00253,Fc1ncccc1COc1cncc2nnc(-c3ccnc(-c4ccc(Cl)cn4)c3)n12,PTYAMGCSCLOTAU-UHFFFAOYSA-N,5,1,0.506,24,912,433.834,4.015,5,0.386,0.68,1.0,0.9027654033308203,0.8221763415804263,0.7308529230347475,0.7441573572750325,0.7999880063052567
EOS-5-00254,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c(F)c2)n1,PUSBASXUFRCLGA-UHFFFAOYSA-N,5,1,0.547,37,202,429.419,2.502,5,0.401,0.7,1.0,0.8892639298197519,0.8898893153313686,0.2704920841614694,0.2582242478240011,0.5769673942841478
EOS-5-00255,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1-c1cscn1,IFZOSZBRZCZNLM-UHFFFAOYSA-N,5,1,0.527,11,777,466.473,4.218,5,0.332,0.66,1.0,0.8994842711260366,0.8259372215749434,0.6783205400589405,0.5714909875950929,0.7438082550887533
EOS-5-00256,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cscn1,PHWGVKIEPIMKQI-UHFFFAOYSA-N,5,1,0.534,11,777,448.483,4.079,5,0.347,0.69,1.0,0.8892724967445685,0.7941624974299225,0.6152080049345487,0.4862243848947982,0.6962168460009596
EOS-5-00257,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,YDBRQLVSOBZIGR-UHFFFAOYSA-N,5,1,0.542,58,28,453.89,4.119,5,0.357,0.6,1.0,0.847354533616613,0.8683777671167158,0.5308494962648208,0.5649458570351586,0.7028819135083271
EOS-5-00259,Fc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ncsn1,ZTVBZULKVLKTJK-UHFFFAOYSA-N,5,1,0.59,35,325,437.435,3.605,5,0.375,0.68,1.0,0.8675125077102324,0.8596138030292646,0.5609536700705915,0.5714995545199095,0.7148948838324996
EOS-5-00260,Fc1c(-c2ncon2)ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c1F,NVIOCQQXXLBFOM-UHFFFAOYSA-N,5,1,0.58,35,325,455.812,3.789,5,0.356,0.67,1.0,0.865250839558632,0.8436536220958125,0.7598690973888013,0.7745613734493866,0.8108337331231581
EOS-5-00262,COc1cc(-c2nnc3cncc(OCCc4ccc(F)cn4)n23)ccc1-c1cscn1,CIZLVEQLPWDGFX-UHFFFAOYSA-N,5,1,0.573,11,777,448.483,4.079,5,0.371,0.7,1.0,0.8892810636693852,0.7861181550270715,0.5512987458022068,0.44607120827907615,0.6681922931944348
EOS-5-00263,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)ccn1,RUZZJHNLAFQMAT-UHFFFAOYSA-N,5,1,0.542,58,28,453.89,4.119,5,0.357,0.54,1.0,0.8404495922143788,0.8767219518881503,0.5241758618326365,0.5617332602289082,0.7007701665410184
EOS-5-00264,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cccnn1,HHRXOZFCPURJQW-UHFFFAOYSA-N,5,1,0.511,35,925,443.442,3.413,5,0.377,0.7,1.0,0.9011376876156535,0.7645809060379686,0.6152165718593654,0.5020303611815503,0.6957413816736345
EOS-5-00265,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4Cl)n23)ccn1,NQHXQBQZHXVEFV-UHFFFAOYSA-N,5,1,0.542,58,28,453.89,4.119,5,0.357,0.56,1.0,0.8331591391953944,0.887276403262285,0.45493797546432735,0.4954081282982661,0.6676954115550682
EOS-5-00266,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,CQBCAACHPBDBSN-UHFFFAOYSA-N,5,1,0.542,58,28,453.89,4.119,5,0.357,0.61,1.0,0.8449729285175793,0.8652165718593654,0.5176735658967857,0.5486001644849565,0.6941158076896718
EOS-5-00267,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(F)nc5)n34)cn2)nc1,LUCYWIDAWRCMTG-UHFFFAOYSA-N,5,1,0.511,65,981,444.43,2.808,5,0.35,0.71,1.0,0.8520663422657803,0.8596223699540813,0.35180076759646356,0.2553286272359674,0.5797045267630732
EOS-5-00269,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cccnc1,JNOZAIWHYWTAFT-UHFFFAOYSA-N,5,1,0.551,11,103,442.454,4.018,5,0.376,0.75,1.0,0.8740148036460832,0.8259457884997601,0.6451237063943527,0.5683811938866424,0.7283663731067096
EOS-5-00270,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccnnc1,CSBXCJXZKBJBKO-UHFFFAOYSA-N,5,1,0.537,35,729,443.442,3.413,5,0.353,0.65,1.0,0.8855630182989515,0.7941710643547393,0.6836577342197245,0.5586491672949078,0.7305102460420807
EOS-5-00271,Clc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)nc1,VOCCRCCNBCALSV-UHFFFAOYSA-N,5,1,0.551,65,263,430.859,3.313,5,0.404,0.72,1.0,0.8609416763758482,0.9043160167226373,0.3073212939483243,0.3378281132204784,0.602601775066822
EOS-5-00273,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)cc2F)n1,RZNYRSXXESJBLT-UHFFFAOYSA-N,5,1,0.5,37,482,463.864,3.156,5,0.374,0.63,1.0,0.8306575971489274,0.9067318895209375,0.2964755671304229,0.3669642245219656,0.6002073195805634
EOS-5-00274,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)cn1,LRJXOOPXXZYDLQ-UHFFFAOYSA-N,5,1,0.542,58,28,453.89,4.119,5,0.357,0.57,1.0,0.8355664450688781,0.8767305188129669,0.5103060105544514,0.5486087314097732,0.6928029264615174
EOS-5-00276,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccsc1,XZNLOAVPPITVKH-UHFFFAOYSA-N,5,1,0.565,35,982,447.495,4.684,5,0.361,0.69,1.0,0.8781012267836338,0.8068072784593242,0.7738674525392365,0.6844116236035912,0.7857968953464465
EOS-5-00277,COc1cc(-c2nnc3cncc(OCCc4ncncc4F)n23)ccc1-c1cccs1,XSLDOJLRPVJWKI-UHFFFAOYSA-N,5,1,0.479,15,777,448.483,4.079,5,0.371,0.7,1.0,0.8740233705708998,0.8104396545815914,0.4791395380714139,0.4112123912000548,0.6437037386059901
EOS-5-00278,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)n4)n23)ccc1-c1cccnn1,GPWQVMXCXDASIX-UHFFFAOYSA-N,5,1,0.505,15,925,444.43,2.808,5,0.35,0.61,1.0,0.8837468302378179,0.7903844835857721,0.3556815845384141,0.25823281474881776,0.5720114282777055
EOS-5-00279,COc1cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1-c1cccnn1,AYAULBCFWNFNAM-UHFFFAOYSA-N,5,1,0.511,72,925,461.432,3.552,5,0.363,0.64,1.0,0.8892896305942019,0.8028065245699404,0.6945205948872593,0.5991021862792132,0.7464297340826537
EOS-5-00280,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)nn1,SQACZSXPZVWNNW-UHFFFAOYSA-N,5,1,0.581,35,619,428.431,3.107,5,0.406,0.67,1.0,0.902773970255637,0.8596309368788979,0.407622849701871,0.3828473031320677,0.6382187649921185
EOS-5-00281,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccccc3Cl)n12,ONHKXCICZHWETA-UHFFFAOYSA-N,5,1,0.692,11,28,452.902,4.724,5,0.347,0.74,1.0,0.7908042629017887,0.9148876019464053,0.5934737166746624,0.6637996024946885,0.7407412960043862
EOS-5-00282,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)n1,VEERWFOEBYCEBT-UHFFFAOYSA-N,5,1,0.532,58,578,444.886,3.622,5,0.366,0.73,1.0,0.8232129394832431,0.884672058118018,0.3403039544924954,0.32481495442395997,0.593250976629429
EOS-5-00283,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,AKCFASHGMHPCFY-UHFFFAOYSA-N,5,1,0.534,87,143,452.902,4.724,5,0.347,0.68,1.0,0.8355750119936948,0.8683863340415324,0.6152251387841821,0.6695223082722226,0.747177198272908
EOS-5-00286,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nc1,SGJXTLRBDVJFOM-UHFFFAOYSA-N,5,1,0.521,65,578,460.885,3.322,5,0.337,0.75,1.0,0.8520749091905969,0.8596395038037146,0.35917688986361457,0.3030720992392571,0.5934908505242957
EOS-5-00287,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(Oc4ncccn4)cc3)n12,GNDOAWCHRYLQHC-UHFFFAOYSA-N,5,1,0.551,35,161,429.415,3.529,5,0.387,0.71,1.0,0.8994928380508532,0.8470889589472963,0.5609622369954081,0.45870742238366113,0.6915628640943048
EOS-5-00288,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)n1,MSSKDUAUJWJPGU-UHFFFAOYSA-N,5,1,0.588,35,619,428.431,3.107,5,0.406,0.67,1.0,0.8947467617024193,0.8683949009663491,0.3666815160030156,0.34414193681036254,0.6184912788705367
EOS-5-00289,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,KCDDYZYDOHMNOY-UHFFFAOYSA-N,5,1,0.479,11,796,460.91,3.851,5,0.351,0.68,1.0,0.8381365225138784,0.8767390857377836,0.4257590295387568,0.4365790555822082,0.6443034233431568
EOS-5-00292,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cscn1,WFPCHBKLRCSTKO-UHFFFAOYSA-N,5,1,0.534,11,729,448.483,4.079,5,0.347,0.7,1.0,0.8781097937084504,0.7817318895209375,0.6266448495648003,0.4984065519840998,0.6962232711945721
EOS-5-00293,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ccc(F)nn1,MIFYFQRQONSMNX-UHFFFAOYSA-N,5,1,0.5,72,925,461.432,3.552,5,0.363,0.61,1.0,0.8781183606332671,0.8068158453841409,0.5966863134809129,0.5156089370159688,0.6993073641285724
EOS-5-00294,Fc1cccc(COc2cncc3nnc(-c4ccc(F)c(-c5nccs5)c4)n23)c1,IURLTWWBYZPIHA-UHFFFAOYSA-N,5,1,0.628,57,709,421.432,4.772,5,0.409,0.84,1.0,0.9383352751696251,0.8996470426975532,0.869637105064766,0.8757967240079501,0.8958540367349737
EOS-5-00295,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cscn1,ROSGSZYXPGLFJJ-UHFFFAOYSA-N,5,1,0.521,35,777,448.483,4.079,5,0.371,0.66,1.0,0.8781269275580837,0.777362757864437,0.6092711260365979,0.49841511890891643,0.6907939825920087
EOS-5-00297,N#Cc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1Cl,IXWMUGRLYJPOMR-UHFFFAOYSA-N,5,1,0.829,48,231,410.264,4.591,4,0.481,0.82,1.0,0.9855390309094647,0.9939517510794326,0.95056027688301,0.9691248029607292,0.9747939654581592
EOS-5-00298,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)nc1,FROOJRDQPOCDIT-UHFFFAOYSA-N,5,1,0.539,87,930,465.304,3.967,5,0.371,0.74,1.0,0.830666164073744,0.8974453430196696,0.40763141662668767,0.49842368583373314,0.6585416523884586
EOS-5-00301,Fc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,PNNPQQSKTBSRON-UHFFFAOYSA-N,5,1,0.542,35,143,453.89,4.119,5,0.357,0.58,1.0,0.8150829278322254,0.8819306421766843,0.5445308751970392,0.5777191419368104,0.7048158967856898
EOS-5-00302,Fc1ccc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)cn1,YERIGYQCHPKVRH-UHFFFAOYSA-N,5,1,0.53,58,583,453.89,4.119,5,0.357,0.59,1.0,0.8473631005414296,0.8365773421972449,0.5609708039202248,0.5901240490713453,0.7087588239325611
EOS-5-00303,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cccnn1,IBSDDKUKCJYNRI-UHFFFAOYSA-N,5,1,0.538,72,925,443.442,3.413,5,0.377,0.68,1.0,0.8781354944829004,0.7817404564457542,0.5343105338907546,0.4460797752038928,0.6600665650058254
EOS-5-00305,CCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nc1,OYTPIQDLBHJIIN-UHFFFAOYSA-N,5,1,0.527,65,578,458.913,3.876,5,0.338,0.74,1.0,0.7908128298266054,0.9127972722911384,0.32580871770269343,0.3097457336714413,0.5847911383729697
EOS-5-00306,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccnnc1,SMJRCQZSUGGNEQ-UHFFFAOYSA-N,5,1,0.521,35,103,443.442,3.413,5,0.353,0.59,1.0,0.8719758755397162,0.7984716606127065,0.6451322733191693,0.5219141936810363,0.7093735007881571
EOS-5-00307,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4Cl)n23)ccn1,LAHQTCLBDWLQHR-UHFFFAOYSA-N,5,1,0.598,35,325,437.822,3.65,5,0.371,0.73,1.0,0.867521074635049,0.822184908505243,0.6356829552463847,0.6578969912960044,0.7458214824206703
EOS-5-00308,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1-c1cncs1,OIQWQOXFTHUVNK-UHFFFAOYSA-N,5,1,0.527,11,103,466.473,4.218,5,0.332,0.68,1.0,0.8817935713796176,0.8259543554245768,0.6919933520663423,0.5870999246110616,0.7467103008703996
EOS-5-00309,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1-c1nccs1,DUOASJHKZDOMMD-UHFFFAOYSA-N,5,1,0.527,11,777,466.473,4.218,5,0.332,0.68,1.0,0.8837553971626345,0.8221934754300596,0.6181892947707491,0.5054228634089507,0.7073902576930985
EOS-5-00310,COc1cc(-c2nnc3cncc(OCc4c(Cl)ccnc4F)n23)ccc1-c1nccs1,QJKUIOBMLQNFGR-UHFFFAOYSA-N,5,1,0.467,97,383,468.901,4.69,5,0.334,0.68,1.0,0.9027825371804538,0.7984802275375231,0.717685559591529,0.6579055582208211,0.7692134706325817
EOS-5-00311,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cscn1,BQHTWCAYEMDHHM-UHFFFAOYSA-N,5,1,0.523,11,777,448.483,4.079,5,0.347,0.7,1.0,0.8719844424645329,0.781749023370571,0.5806233294496608,0.46478137207867865,0.6747845418408607
EOS-5-00312,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5c[nH]nn5)cc4Cl)n23)ccn1,HXTZCGUFVIESBJ-UHFFFAOYSA-N,5,1,0.557,37,626,436.838,3.385,5,0.406,0.61,1.0,0.84975327256528,0.8563583715989308,0.6836663011445412,0.7124083339044617,0.7755465698033034
EOS-5-00313,Fc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)c1F,WWRSWXRVVGESPM-UHFFFAOYSA-N,5,1,0.524,59,183,434.381,4.245,5,0.385,0.75,1.0,0.8675296415598657,0.8436621890206292,0.9406397779453087,0.930111027345624,0.8954856589678569
EOS-5-00314,COc1cc(-c2nnc3cncc(OCCc4cc(F)nc(Cl)n4)n23)ccc1-c1cnco1,PGRBIUVZLSXNEB-UHFFFAOYSA-N,5,1,0.511,15,103,467.848,3.659,5,0.261,0.67,1.0,0.9027911041052704,0.7817575902953876,0.5140154890000685,0.43023096429305735,0.657198786923446
EOS-5-00315,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(C#N)n4)n23)ccc1-c1cscn1,SNNBSNFYDWTACY-UHFFFAOYSA-N,5,1,0.51,11,777,473.493,3.951,5,0.349,0.67,1.0,0.907597148927421,0.8563669385237476,0.5870313892125283,0.4647899390034953,0.703946353916798
EOS-5-00316,COc1ccc(-c2nnc3cncc(OCc4cccc(Cl)c4)n23)cc1-c1nccs1,LJPQOPBWMDIABD-UHFFFAOYSA-N,5,1,0.571,1,383,449.923,5.156,5,0.356,0.78,1.0,0.8697227743129327,0.7817661572202043,0.7411075320402988,0.6984185456788431,0.7727537523130698
EOS-5-00317,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,ZHYKQTGWLVEVPL-UHFFFAOYSA-N,5,1,0.539,37,6,437.826,2.78,5,0.43,0.66,1.0,0.8355835789185114,0.8684034678911657,0.4367246933040916,0.5085926255911178,0.6623260914262217
EOS-5-00318,Fc1c(-c2nccs2)ccc(-c2nnc3cncc(OCCc4ccccn4)n23)c1Cl,KQXPOAQDQHWMHE-UHFFFAOYSA-N,5,1,0.595,11,275,452.902,4.724,5,0.371,0.64,1.0,0.8232215064080598,0.8652251387841821,0.6266534164896169,0.6638081694195052,0.744727057775341
EOS-5-00320,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cc2F)n1,UKOIXFBBYIFUTK-UHFFFAOYSA-N,5,1,0.5,4,208,448.849,3.718,5,0.4,0.73,1.0,0.8306747309985607,0.8502244534301967,0.4962391200054828,0.4984322527585498,0.6688926392981975
EOS-5-00323,Fc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)n2)c1,ZESFYYLZGOIYHY-UHFFFAOYSA-N,5,1,0.529,58,271,432.394,2.938,5,0.377,0.56,1.0,0.8760451648276335,0.8332533753683777,0.47226029744362963,0.480064765951614,0.6654059008978138
EOS-5-00324,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cnnc(F)c1,QJWYEJVINJYSHC-UHFFFAOYSA-N,5,1,0.528,35,103,443.442,3.413,5,0.377,0.58,1.0,0.8675382084846823,0.7903930505105887,0.6240662051949832,0.5054314303337674,0.6968572236310054
EOS-5-00325,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cc(F)cnn1,WLKZEHKBGHQESD-UHFFFAOYSA-N,5,1,0.528,35,925,443.442,3.413,5,0.377,0.69,1.0,0.8928277705434857,0.7288825303269139,0.5746007813035433,0.4741450209032966,0.6676140257693098
EOS-5-00326,OCc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1Cl,RRRJYOQVKFDLBY-UHFFFAOYSA-N,5,1,0.764,48,231,415.28,4.212,4,0.511,0.81,1.0,0.9577907614282777,0.9728000137070797,0.9315245699403742,0.9503632376122267,0.9531196456719896
EOS-5-00327,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cccnc3Cl)n12,DQOKAUHHWZDIQD-UHFFFAOYSA-N,5,1,0.53,58,28,453.89,4.119,5,0.357,0.54,1.0,0.8126841888835583,0.8712905215543828,0.47914810499623056,0.532391542731821,0.6738785895414982
EOS-5-00329,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cscn1,HPPUNETYCIWCGZ-UHFFFAOYSA-N,5,1,0.556,11,777,448.483,4.079,5,0.371,0.65,1.0,0.8652594064834487,0.7817747241450209,0.5548197519018573,0.45871598930847785,0.6651424679597012
EOS-5-00330,Cc1csc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)n2)n1,OKONZIHDVGEPGV-UHFFFAOYSA-N,5,1,0.523,58,28,467.917,4.427,5,0.341,0.65,1.0,0.8427797957645123,0.8819392091015009,0.40042663285587005,0.4209615516414228,0.6365267973408265
EOS-5-00331,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,NNSMHRSZHBWBIL-UHFFFAOYSA-N,5,1,0.552,58,28,453.89,4.119,5,0.357,0.61,1.0,0.8283787951476937,0.847097525872113,0.454946542389144,0.505439997258584,0.6589657151668837
EOS-5-00332,Fc1nc(-c2cnco2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,ZCKBIBIPOJOMCX-UHFFFAOYSA-N,5,1,0.542,35,143,437.822,3.65,5,0.371,0.68,1.0,0.8652679734082653,0.8068244123089576,0.5776677403879104,0.5871084915358783,0.7092171544102529
EOS-5-00333,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccsc1,KEUHXCYGSOSXJS-UHFFFAOYSA-N,5,1,0.553,35,103,463.95,5.198,5,0.309,0.64,1.0,0.867546775409499,0.810448221506408,0.7670567473099856,0.7097097525872113,0.788690374203276
EOS-5-00334,Fc1ccccc1COc1cncc2nnc(-c3ccc(-c4nccs4)c(F)c3)n12,VJABAEPAUFYCGF-UHFFFAOYSA-N,5,1,0.543,57,709,421.432,4.772,5,0.409,0.8,1.0,0.9352597491604414,0.8846806250428346,0.8737149612774998,0.8732266465629498,0.8917204955109314
EOS-5-00335,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12,UBRKMNYSZGZDOY-UHFFFAOYSA-N,5,1,0.53,58,28,453.89,4.119,5,0.357,0.63,1.0,0.8023353437050237,0.8767476526626002,0.4755071619491467,0.521922760605853,0.6691282297306559
EOS-5-00336,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cncc(Cl)c5)n34)cn2)cn1,VVBDAOFOMRPFPK-UHFFFAOYSA-N,5,1,0.556,65,981,444.886,3.622,5,0.391,0.74,1.0,0.8048111849770406,0.8738091974504831,0.38193064217668427,0.3798146117469673,0.6100914090877939
EOS-5-00337,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3Cl)n12,FQJIMWJVHCKBGA-UHFFFAOYSA-N,5,1,0.53,58,28,453.89,4.119,5,0.357,0.69,1.0,0.7937170173394559,0.8872849701871016,0.40394763895552055,0.4587245562332945,0.6359185456788432
EOS-5-00338,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncsn5)cc4F)n23)ccn1,QMQRJWFTQXNDCB-UHFFFAOYSA-N,5,1,0.598,35,325,437.435,3.605,5,0.375,0.7,1.0,0.8473716674662464,0.8365859091220615,0.6063669385237476,0.6020320745665136,0.7230891474196423
EOS-5-00340,COc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1cocn1,OBNMIELQMOAQJM-UHFFFAOYSA-N,5,1,0.5,11,777,450.405,3.75,5,0.37,0.67,1.0,0.8928363374683024,0.7060174079912275,0.6890463299294085,0.5901326159961621,0.7195081728462751
EOS-5-00341,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cnccc5F)n34)cc2F)cs1,SCJCYFUHXPEAFA-UHFFFAOYSA-N,5,1,0.558,35,684,450.474,4.518,5,0.379,0.77,1.0,0.8355921458433281,0.8259629223493935,0.7206668494277294,0.6930642176684257,0.7688215338222192
EOS-5-00342,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccoc1,YBPMPVGDBHYIMZ-UHFFFAOYSA-N,5,1,0.553,35,103,447.882,4.73,5,0.333,0.67,1.0,0.8799431156192173,0.7383061476252485,0.7785963950380371,0.7124169008292783,0.7773156397779454
EOS-5-00344,COc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1cccnn1,LPPQQSLYXSABSE-UHFFFAOYSA-N,5,1,0.511,35,925,459.897,3.927,5,0.361,0.67,1.0,0.865276540333082,0.7817832910698376,0.6152337057089987,0.555342334315674,0.7044089678568981
EOS-5-00345,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ccn3)n12,AKMFPQFCZZCOIT-UHFFFAOYSA-N,5,1,0.54,37,325,453.89,4.119,5,0.382,0.64,1.0,0.8075868686176411,0.8652337057089987,0.5343191008155712,0.6115584949626482,0.7046745425262149
EOS-5-00346,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cncs1,IYEZHZMOYNSXMV-UHFFFAOYSA-N,5,1,0.553,35,103,448.483,4.079,5,0.347,0.7,1.0,0.844981495442396,0.802815091494757,0.6296689740250839,0.502038928106367,0.694876122267151
EOS-5-00347,COc1cc(-c2nnc3cncc(OCCc4ccsc4)n23)ccc1-c1ccc(F)nn1,QSZMXVVXQMNGSA-UHFFFAOYSA-N,5,1,0.511,72,925,448.483,4.079,5,0.371,0.69,1.0,0.8719930093893496,0.7517990542115003,0.564448975395792,0.4554776917277774,0.6609296826811049
EOS-5-00348,COc1cc(-c2nnc3cncc(OCCc4ccnnc4F)n23)ccc1-c1cscn1,STYLXAPMOPQERB-UHFFFAOYSA-N,5,1,0.505,72,777,449.471,3.474,5,0.372,0.59,1.0,0.8609502433006648,0.7690271400178192,0.42908299636762387,0.3314543211568775,0.5976286752107464
EOS-5-00349,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccc(Cl)nn1,HKBYQJLGPCZMRA-UHFFFAOYSA-N,5,1,0.533,72,925,459.897,3.927,5,0.361,0.73,1.0,0.8781440614077171,0.7518076211363169,0.5479490781988897,0.47706634226578026,0.663741775752176
EOS-5-00350,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cncs1,GECDGQLTQQFXSY-UHFFFAOYSA-N,5,1,0.553,35,103,448.483,4.079,5,0.347,0.67,1.0,0.847380234391063,0.7984887944623398,0.642125282708519,0.5156175039407854,0.7009029538756768
EOS-5-00351,COc1cc(-c2nnc3cncc(OCCc4ccccc4Cl)n23)ccc1-c1ccsn1,PDTZRULWHHMQTI-UHFFFAOYSA-N,5,1,0.691,91,955,463.95,5.198,5,0.33,0.76,1.0,0.8632547460763484,0.8068329792337743,0.7336628743746145,0.7011942293194435,0.7762362072510451
EOS-5-00353,COc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1cccnn1,QDVRRKHVBKTGBC-UHFFFAOYSA-N,5,1,0.485,72,925,461.432,3.552,5,0.363,0.61,1.0,0.8675553423343156,0.7817918579946542,0.6506922075251867,0.5715081214447262,0.7178868823247206
EOS-5-00354,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,WDRWHTKIXLQYEY-UHFFFAOYSA-N,5,1,0.524,58,28,453.89,4.119,5,0.357,0.66,1.0,0.7964755671304229,0.8767562195874169,0.46890206291549585,0.5219313275306696,0.6660162942910013
EOS-5-00355,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)cs1,ZMENPYNWRPJWGF-UHFFFAOYSA-N,5,1,0.558,35,161,450.474,4.518,5,0.379,0.8,1.0,0.8331677061202111,0.8222020423548763,0.7283342471386471,0.689885888561442,0.7683974710437941
EOS-5-00356,Fc1nc(-c2cnsn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,RIGHWTAFZOTXDX-UHFFFAOYSA-N,5,1,0.517,58,271,454.878,3.514,5,0.359,0.57,1.0,0.8306832979233775,0.8298266054417106,0.39670858748543625,0.45873312315811116,0.6289879035021589
EOS-5-00357,Fc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,ZQZBLYUWHDHRCV-UHFFFAOYSA-N,5,1,0.534,87,143,453.89,4.119,5,0.357,0.61,1.0,0.7991998492221233,0.8684120348159825,0.4689106298403125,0.5187101637996024,0.6638081694195052
EOS-5-00358,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4Cl)n23)ccn1,YBQABSZYLZJYHH-UHFFFAOYSA-N,5,1,0.542,35,143,453.89,4.119,5,0.357,0.54,1.0,0.7964841340552395,0.8738177643752998,0.5410355698718388,0.5746521828524432,0.6964974127887054
EOS-5-00359,COc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1-c1cncs1,MUMLXLLYWZBINF-UHFFFAOYSA-N,5,1,0.557,35,103,448.483,4.079,5,0.371,0.64,1.0,0.8473888013158797,0.7941796312795559,0.5712939483243095,0.47415358782811323,0.6717539921869645
EOS-5-00360,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)cs1,PKRJSQNIVZQCKG-UHFFFAOYSA-N,5,1,0.602,11,684,432.484,4.379,5,0.396,0.78,1.0,0.8740319374957165,0.8104567884312247,0.5609793708450415,0.5121393324652183,0.6894018573093003
EOS-5-00361,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,ZTZKEISXJIYBRL-UHFFFAOYSA-N,5,1,0.553,37,141,453.89,4.119,5,0.382,0.63,1.0,0.8048197519018573,0.8626207936399151,0.5276540333082037,0.5962151326159961,0.6978274278664931
EOS-5-00362,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cncnc1,NIPWJXXJUFSVND-UHFFFAOYSA-N,5,1,0.516,15,215,443.442,3.413,5,0.377,0.68,1.0,0.8585600712768144,0.7773713247892536,0.5678843122472758,0.4681481735316291,0.6679909704612432
EOS-5-00363,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nccs1,XNNOPKTWADWXPL-UHFFFAOYSA-N,5,1,0.534,11,729,448.483,4.079,5,0.347,0.7,1.0,0.8542851757932972,0.7732506339524364,0.5609879377698581,0.4365876225070249,0.6562778425056541
EOS-5-00365,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1nccs1,LNKZICWEFMPGEK-UHFFFAOYSA-N,5,1,0.523,11,777,448.483,4.079,5,0.347,0.74,1.0,0.8497618394900966,0.7861267219518882,0.5140240559248852,0.3985076416969365,0.6371050647659516
EOS-5-00369,COc1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1ccccn1,VGIOUITUACIOKY-UHFFFAOYSA-N,5,1,0.543,11,275,442.454,4.018,5,0.376,0.74,1.0,0.8632633130011651,0.7690357069426359,0.5839558632033446,0.49844081968336645,0.6786739257076281
EOS-5-00370,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)n2)nc1,KNHZRRKQJKQNQJ-UHFFFAOYSA-N,5,1,0.568,58,262,432.394,2.938,5,0.377,0.68,1.0,0.8609588102254815,0.8332619422931944,0.314860187786992,0.32804468507984375,0.5842814063463779
EOS-5-00372,COc1cc(-c2nnc3cncc(OCCc4cnnc(F)c4)n23)ccc1-c1cscn1,KGKZCLDKFSUUSX-UHFFFAOYSA-N,5,1,0.495,72,777,449.471,3.474,5,0.372,0.58,1.0,0.8609673771502981,0.7562881228154342,0.4475361524227263,0.347431635939963,0.6030558220821055
EOS-5-00374,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cocn1,DKEUUZIKJQFGAJ-UHFFFAOYSA-N,5,1,0.523,11,777,432.415,3.611,5,0.36,0.7,1.0,0.9090278253718045,0.719827290795696,0.603077239394147,0.46479850592831196,0.6741827153724897
EOS-5-00375,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cc2F)nn1,XKOJDMGJUGHHKR-UHFFFAOYSA-N,5,1,0.545,37,563,478.875,3.461,5,0.347,0.63,1.0,0.9106384072373381,0.9222123226646562,0.4290915632924405,0.42718970598314027,0.6722829997943938
EOS-5-00376,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,JVPGBKFGBIIRCN-UHFFFAOYSA-N,5,1,0.553,37,141,437.822,3.65,5,0.396,0.7,1.0,0.842788362689329,0.8182184223151258,0.5609965046946748,0.6020406414913303,0.706010982797615
EOS-5-00377,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1F,CGUMUYAEGHFILD-UHFFFAOYSA-N,5,1,0.556,35,626,447.449,3.969,5,0.351,0.64,1.0,0.879951682544034,0.7152439860187787,0.6390069220752519,0.587117058460695,0.7053299122746899
EOS-5-00378,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccnnc1,WSMGBAHTQWKDRR-UHFFFAOYSA-N,5,1,0.528,35,982,443.442,3.413,5,0.377,0.62,1.0,0.8561956000274141,0.7732592008772531,0.6920019189911589,0.577727708861627,0.7247961071893633
EOS-5-00379,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)nc3Cl)n12,ITRCFFNVCIFPHQ-UHFFFAOYSA-N,5,1,0.524,35,143,453.89,4.119,5,0.357,0.64,1.0,0.7937255842642725,0.8684206017407992,0.4928723185525324,0.5387053663217052,0.6734309677198274
EOS-5-00380,COc1cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1-c1cscn1,VRKGDJNHKYOQSN-UHFFFAOYSA-N,5,1,0.533,11,777,466.473,4.218,5,0.355,0.65,1.0,0.8781526283325337,0.7818004249194709,0.7150726475224454,0.617469673086149,0.7481238434651497
EOS-5-00381,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)cn2)nc1,IGUZGWNVIOOEIX-UHFFFAOYSA-N,5,1,0.538,87,579,444.886,3.622,5,0.391,0.73,1.0,0.7880200123363718,0.8738263313001166,0.27460420807346997,0.28503015557535466,0.5553701768213283
EOS-5-00382,Fc1cc(-c2nnc3cncc(OCCc4nc(Cl)cnc4F)n23)ccc1-c1ncon1,XYSVBWIQANDLOS-UHFFFAOYSA-N,5,1,0.517,20,325,456.8,3.184,5,0.379,0.7,1.0,0.8283873620725104,0.8222106092796929,0.4076399835515043,0.48623295181961484,0.6361177266808307
EOS-5-00383,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cscn1,VEGBVZMEXJXVKE-UHFFFAOYSA-N,5,1,0.573,11,777,464.938,4.593,5,0.348,0.7,1.0,0.8652851072578988,0.7904016174354054,0.5513073127270235,0.4923069015146323,0.67482523473374
EOS-5-00384,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccoc1,VABDIOHITIGAOU-UHFFFAOYSA-N,5,1,0.553,35,103,431.427,4.216,5,0.357,0.7,1.0,0.9136111301487219,0.7106264135425947,0.7786049619628538,0.6695308751970392,0.7680933452128024
EOS-5-00385,COc1cc(-c2nnc3cncc(OCCCc4ccnc(F)c4)n23)ccc1-c1cnco1,UPFBABYVBTTWLU-UHFFFAOYSA-N,5,1,0.522,35,103,446.442,4.001,5,0.26,0.73,1.0,0.9027996710300871,0.6419196765129189,0.5806318963744774,0.4618429168665616,0.6467985401960114
EOS-5-00386,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3csc(Cl)c3)n12,MAOMJYIRURQAMM-UHFFFAOYSA-N,5,1,0.518,58,28,458.931,4.785,5,0.34,0.56,1.0,0.7992084161469399,0.8652422726338154,0.4440579809471592,0.5020474950311836,0.6526390411897746
EOS-5-00389,N#Cc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,KSWFQNOEMWOULN-UHFFFAOYSA-N,5,1,0.527,47,161,427.403,2.604,5,0.438,0.71,1.0,0.9028082379549037,0.8028236584195737,0.5966948804057296,0.5586577342197245,0.7152461277499829
EOS-5-00390,COc1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1cccnn1,CDDXOMDYEVNPHI-UHFFFAOYSA-N,5,1,0.505,72,925,443.442,3.413,5,0.353,0.69,1.0,0.8520834761154136,0.7732677678020697,0.5032468645055171,0.40435885134672056,0.6332392399424303
EOS-5-00391,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)ncc1C(F)F,JDYNAVFSWMHFKF-UHFFFAOYSA-N,5,1,0.563,90,281,420.782,3.933,4,0.44,0.65,1.0,0.8632718799259818,0.961937153039545,0.9299225549996574,0.9186656157905558,0.918449300938935
EOS-5-00392,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)cc3Cl)n12,ZBANIIQMBJWOFF-UHFFFAOYSA-N,5,1,0.578,35,325,437.822,3.65,5,0.371,0.71,1.0,0.838145089438695,0.8222191762045097,0.5902525529435954,0.6231581111644164,0.7184437324378041
EOS-5-00393,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ccn3)n12,QFTCOTOLDNXHGZ-UHFFFAOYSA-N,5,1,0.534,58,28,453.89,4.119,5,0.357,0.59,1.0,0.7880285792611884,0.8684291686656158,0.3893667329175519,0.4587416900829278,0.626141542731821
EOS-5-00394,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,LURXOHTXDYLAKJ-UHFFFAOYSA-N,5,1,0.524,58,28,453.89,4.119,5,0.357,0.62,1.0,0.8048283188266739,0.8471060927969296,0.5410441367966554,0.5901411829209787,0.6957799328353094
EOS-5-00395,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1cocn1,ZNJVCUYGNAGWNH-UHFFFAOYSA-N,5,1,0.5,4,61,443.398,3.44,5,0.388,0.68,1.0,0.8562041669522308,0.7602203413062847,0.6811561921732575,0.5288876704818039,0.7066170927283942
EOS-5-00396,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccc(-c4cncs4)nc3)n12,CUQZZNITYMTSFA-UHFFFAOYSA-N,5,1,0.506,59,332,438.875,4.681,5,0.396,0.78,1.0,0.8126927558083751,0.8534113494619971,0.7957045438969228,0.8230501679117264,0.8212147042697553
EOS-5-00398,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)ccn1,SUCRZGUVYUBBBN-UHFFFAOYSA-N,5,1,0.542,58,28,437.435,3.605,5,0.375,0.62,1.0,0.8206257281886095,0.8471146597217463,0.46175724761839493,0.4490867658145432,0.6446461003358235
EOS-5-00400,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1F,ATDXENIQLDTCFL-UHFFFAOYSA-N,5,1,0.552,26,125,433.422,3.487,5,0.381,0.71,1.0,0.894755328627236,0.7288910972517305,0.7411160989651154,0.6984271126036597,0.7657974093619354
EOS-5-00401,Fc1ccc(-c2cocn2)cc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,AWFCJYKVJDTCMT-UHFFFAOYSA-N,5,1,0.506,11,0,437.822,3.65,5,0.371,0.68,1.0,0.8427969296141457,0.8028322253443904,0.5343276677403879,0.5649544239599753,0.6862278116647248
EOS-5-00402,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cccnn1,BDEJZKMNSBBXFH-UHFFFAOYSA-N,5,1,0.543,72,925,459.897,3.927,5,0.361,0.66,1.0,0.8449900623672126,0.7861352888767048,0.5343362346652045,0.4770749091905969,0.6606341237749297
EOS-5-00403,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cnccc3Cl)n12,DBNCBSYIBARFAB-UHFFFAOYSA-N,5,1,0.524,58,28,453.89,4.119,5,0.357,0.67,1.0,0.7823744088821877,0.8712990884791995,0.4617658145432116,0.5253666643821534,0.660201494071688
EOS-5-00404,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cscn1,KYTWFBHUPINWCE-UHFFFAOYSA-N,5,1,0.528,35,777,448.483,4.079,5,0.371,0.67,1.0,0.8497704064149133,0.7602289082311013,0.6356915221712014,0.5187187307244192,0.6911023918854089
EOS-5-00406,Cn1ccnc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)ncn4)n23)ccc1F,IQCFMTDSFQYTNM-UHFFFAOYSA-N,5,1,0.489,37,353,450.865,3.396,5,0.366,0.68,1.0,0.8232300733328765,0.8104653553560414,0.48628435336851483,0.5054485641834007,0.6563570865602084
EOS-5-00407,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)cn1,LLIQYDPYQXHSOP-UHFFFAOYSA-N,5,1,0.542,58,28,437.435,3.605,5,0.375,0.64,1.0,0.815091494757042,0.8471232266465629,0.44754471934754303,0.43659618943184153,0.6365889075457474
EOS-5-00408,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12,USLZCEOQROOUJV-UHFFFAOYSA-N,5,1,0.524,58,28,453.89,4.119,5,0.357,0.59,1.0,0.7937341511890892,0.8502330203550134,0.5343448015900213,0.5810688095401275,0.6898451956685628
EOS-5-00409,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)c2)n1,LJWLCPMHOLDFGS-UHFFFAOYSA-N,5,1,0.586,37,563,428.431,3.107,5,0.406,0.74,1.0,0.8562127338770475,0.8626293605647317,0.2929031594818724,0.28192892879172093,0.5734185456788432
EOS-5-00411,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,YYIVRUSQUBVIRY-UHFFFAOYSA-N,5,1,0.517,58,28,453.89,4.119,5,0.357,0.56,1.0,0.7880371461860051,0.8596480707285313,0.34815125762456306,0.4144421218559386,0.6025696490987595
EOS-5-00415,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)nc1F,ZWCGQMJAZDJQNN-UHFFFAOYSA-N,5,1,0.511,58,28,471.88,4.258,5,0.342,0.56,1.0,0.8356007127681447,0.8898978822561853,0.5870399561373449,0.6288893838667672,0.7353569837571106
EOS-5-00417,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncc(Cl)s4)nc3)n12,HKUJDHLKALCNEN-UHFFFAOYSA-N,5,1,0.529,65,904,453.89,4.119,5,0.382,0.7,1.0,0.7708861627030361,0.8767647865122336,0.48953978479884863,0.5288962374066205,0.6665217428551847
EOS-5-00418,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccc(F)nn1,UZBODQGZFAVYTC-UHFFFAOYSA-N,5,1,0.521,72,925,477.887,4.066,5,0.346,0.63,1.0,0.9121804537043383,0.8819477760263176,0.6390154890000685,0.5901497498457954,0.75582336714413
EOS-5-00419,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1cscn1,YVFCWOYEEVHHPE-UHFFFAOYSA-N,5,1,0.511,35,777,448.483,4.079,5,0.371,0.64,1.0,0.8449986292920293,0.7562966897402509,0.6296775409499006,0.5219398944554863,0.6882281886094167
EOS-5-00420,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1Cl,DBGIYWWKQCEOFD-UHFFFAOYSA-N,5,1,0.528,37,353,449.877,4.001,5,0.389,0.74,1.0,0.7992169830717566,0.8332705092180112,0.5806404632992941,0.6174782400109656,0.7076515489000069
EOS-5-00422,COc1cc(-c2nnc3cncc(OCCCc4ccnc(F)c4)n23)ccc1-c1cscn1,QEOVFFYNSISCAB-UHFFFAOYSA-N,5,1,0.505,11,729,462.51,4.469,5,0.248,0.73,1.0,0.8562213008018642,0.760237475155918,0.534353368514838,0.4395346446439586,0.6475866972791448
EOS-5-00423,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12,XXNKLDQFBZDXEJ-UHFFFAOYSA-N,5,1,0.524,58,28,453.89,4.119,5,0.357,0.59,1.0,0.7880457131108217,0.85024158727983,0.5276626002330204,0.5841272016996779,0.6875192755808375
EOS-5-00424,COc1cc(-c2nnc3cncc(OCCc4cc(F)ncn4)n23)ccc1-c1cccnn1,NIBDENHMSCFZNF-UHFFFAOYSA-N,5,1,0.485,72,925,444.43,2.808,5,0.35,0.67,1.0,0.8473973682406963,0.7474127887053663,0.4039562058803372,0.3000651086286067,0.5747078678637516
EOS-5-00425,COc1ccc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)cc1-c1ncccc1F,COGPMATULHEQIH-UHFFFAOYSA-N,5,1,0.5,59,71,464.407,4.253,5,0.347,0.65,1.0,0.8151000616818587,0.8436707559454458,0.8696456719895826,0.813052566650675,0.8353672640668907
EOS-5-00426,Fc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c(F)n2)c1,SSAUQOVGTXFZLF-UHFFFAOYSA-N,5,1,0.523,58,271,432.394,2.938,5,0.377,0.69,1.0,0.845007196216846,0.8259714892742102,0.5140326228497019,0.5219484613803029,0.6767399424302653
EOS-5-00427,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)ccn2)c1,GVURPLPAUFRQEE-UHFFFAOYSA-N,5,1,0.554,75,583,431.406,3.543,5,0.38,0.65,1.0,0.8837639640874512,0.7518161880611336,0.6645791926530052,0.6579141251456377,0.739518367486807
EOS-5-00428,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)c1,VSGMXMHEFSOEMZ-UHFFFAOYSA-N,5,1,0.5,58,578,428.431,3.107,5,0.38,0.64,1.0,0.84977897333973,0.8563755054485642,0.41819443492563907,0.36697279144678224,0.6228304262901789
EOS-5-00429,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)n2)nc1,DHRTVQYJCHMNMM-UHFFFAOYSA-N,5,1,0.511,65,262,444.43,2.808,5,0.35,0.7,1.0,0.8206342951134261,0.7941881982043726,0.27832225344390377,0.20828764306764444,0.5253580974573367
EOS-5-00430,COc1cc(-c2nnc3cncc(OCCc4cnnc(F)c4)n23)ccc1-c1nccs1,AXURCWWAUKVKLM-UHFFFAOYSA-N,5,1,0.495,72,777,449.471,3.474,5,0.372,0.6,1.0,0.8428054965389624,0.747421355630183,0.3819392091015009,0.2877373038174217,0.564975841272017
EOS-5-00431,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)nc1F,OKGVDSLKKKZVSK-UHFFFAOYSA-N,5,1,0.523,58,56,437.435,3.605,5,0.375,0.63,0.993,0.7964927009800562,0.8534199163868138,0.44406654787197586,0.427198272907957,0.6302943595367007
EOS-5-00432,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nc1,GOVOUVHBKFWAED-UHFFFAOYSA-N,5,1,0.522,65,904,428.431,3.107,5,0.406,0.7,1.0,0.8404581591391954,0.8684377355904325,0.3518093345212802,0.3064389006922075,0.5917860324857789
EOS-5-00433,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cccnn1,VGCSALPHMATTAS-UHFFFAOYSA-N,5,1,0.511,72,925,443.442,3.413,5,0.377,0.74,1.0,0.8381536563635118,0.7602460420807347,0.4862929202933315,0.40436741827153727,0.6222650092522788
EOS-5-00434,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nncs1,PEJREIGYGNBIFB-UHFFFAOYSA-N,5,1,0.531,72,729,449.471,3.474,5,0.348,0.62,1.0,0.8450157631416627,0.7337742443972312,0.45495510931396066,0.34744020286477967,0.5952963299294086
EOS-5-00435,Cc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1Br,GBRODCVTGMIFMH-UHFFFAOYSA-N,5,1,0.542,90,473,445.708,3.927,4,0.463,0.63,1.0,0.7908213967514222,0.8365944760468782,0.4791566719210472,0.5187272976492359,0.656324960592146
EOS-5-00436,N#Cc1cc(-c2cncs2)cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c1,DVVUNSOSNNHMCJ-UHFFFAOYSA-N,5,1,0.545,35,307,459.922,4.456,5,0.369,0.66,1.0,0.8075954355424577,0.8259800561990268,0.7099924611061613,0.7280858063189637,0.7679134397916524
EOS-5-00437,COc1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1cncs1,XTMRHUQKPNHNAI-UHFFFAOYSA-N,5,1,0.533,15,103,448.483,4.079,5,0.347,0.66,1.0,0.8257744500034268,0.7732763347268864,0.5378229730655884,0.4335292303474745,0.642600747035844
EOS-5-00439,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,KEQPKXZEFBIHTL-UHFFFAOYSA-N,5,1,0.495,37,832,436.838,3.385,5,0.434,0.67,1.0,0.8151086286066753,0.8298351723665273,0.612081077376465,0.6608782811322048,0.7294757898704681
EOS-5-00440,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1F,VAOWLUBLGXLVHJ-UHFFFAOYSA-N,5,1,0.489,26,125,450.865,3.396,5,0.366,0.66,1.0,0.8257830169282434,0.773284901651703,0.537831539990405,0.5324001096566376,0.6673248920567473
EOS-5-00441,Fc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,WPIAKDWNJVAHKI-UHFFFAOYSA-N,5,1,0.541,35,143,453.89,4.119,5,0.357,0.59,1.0,0.7535210060996504,0.8767733534370502,0.5577325063395243,0.602049208416147,0.697519018573093
EOS-5-00442,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)ccn1,QGPBQHZCSKIYGW-UHFFFAOYSA-N,5,1,0.542,58,28,437.435,3.605,5,0.375,0.59,1.0,0.8232386402576931,0.8068415461585909,0.5308580631896375,0.5121478993900349,0.6682715372489891
EOS-5-00443,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncsn4)cc3Cl)n12,COCRWVWIEGIXDP-UHFFFAOYSA-N,5,1,0.573,35,325,453.89,4.119,5,0.382,0.67,1.0,0.7708947296278528,0.859656637653348,0.6152422726338154,0.6665752861352888,0.7280922315125762
EOS-5-00444,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)ccc1-c1cscn1,JDLLSHBYQCSWRM-UHFFFAOYSA-N,5,1,0.522,15,777,465.926,3.988,5,0.332,0.66,1.0,0.8497875402645466,0.7818089918442875,0.3631690768281818,0.30007367555342335,0.5737098211226098
EOS-5-00445,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cncs1,BVKXVFNMBAXKFU-UHFFFAOYSA-N,5,1,0.535,35,103,448.483,4.079,5,0.347,0.68,1.0,0.8076040024672744,0.7984973613871564,0.6000274141594133,0.48007333287643067,0.6715505277225687
EOS-5-00446,COc1cc(-c2nnc3cncc(OCCc4nc(Cl)cnc4F)n23)ccc1-c1cnco1,FJSJMIOJMZGJDP-UHFFFAOYSA-N,5,1,0.479,35,103,467.848,3.659,5,0.353,0.65,1.0,0.8874477417586183,0.7152525529435954,0.44407511479679257,0.40154033308203685,0.6120789356452608
EOS-5-00447,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsn5)nc4Cl)n23)ccn1,JARIKTSAZKWGRQ-UHFFFAOYSA-N,5,1,0.542,58,28,453.89,4.119,5,0.357,0.52,1.0,0.7823829758070043,0.8402097183195121,0.5070334452744842,0.5553509012404907,0.6712442601603728
EOS-5-00448,COc1cc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)ccc1-c1cnco1,HAYICFYWUMEXEN-UHFFFAOYSA-N,5,1,0.533,35,103,450.405,3.75,5,0.37,0.67,1.0,0.8720015763141663,0.6666181207593722,0.7532125968062504,0.6379017887739017,0.7324335206634227
EOS-5-00449,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4cccs4)nc3F)n12,LJEZTDWDBCTYFW-UHFFFAOYSA-N,5,1,0.506,58,28,436.447,4.21,5,0.371,0.62,1.0,0.785304297169488,0.865250839558632,0.5176821328216024,0.5486172983345898,0.6792136419710781
EOS-5-00450,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cnsn1,FAWMNKQBHOQBJQ-UHFFFAOYSA-N,5,1,0.505,15,777,449.471,3.474,5,0.348,0.68,1.0,0.8609759440751148,0.6911452265094922,0.4583647453909944,0.36698135837159895,0.5943668185868001
EOS-5-00452,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c1,JVBCLKNVVLGQHS-UHFFFAOYSA-N,5,1,0.518,58,28,437.435,3.605,5,0.375,0.62,1.0,0.8100541429648414,0.8259886231238435,0.440374203275992,0.452393598793777,0.6322026420396134
EOS-5-00453,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccoc1,YOVPKKIOMSALNB-UHFFFAOYSA-N,5,1,0.535,35,103,431.427,4.216,5,0.357,0.7,1.0,0.8910372832568021,0.715261119868412,0.7411246658899322,0.6349461997121513,0.7455923171818244
EOS-5-00454,Fc1nc(-c2nc(F)c(F)s2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,JIZMXDAPOVMCNE-UHFFFAOYSA-N,5,1,0.561,58,28,455.425,3.744,5,0.36,0.56,1.0,0.810062709889658,0.7985059283119731,0.48263484339661433,0.4800818998012473,0.6428213453498732
EOS-5-00455,COc1cc(-c2nnc3cncc(OCCc4ncccn4)n23)ccc1-c1ccc(F)nn1,HQBOFBBKGOHAKW-UHFFFAOYSA-N,5,1,0.458,72,925,444.43,2.808,5,0.374,0.67,1.0,0.8497961071893633,0.7198358577205126,0.2892365156603386,0.21712014255362894,0.5189971557809608
EOS-5-00456,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cnco1,ZQUDLZWAKRGPDH-UHFFFAOYSA-N,5,1,0.575,35,103,448.87,4.125,5,0.366,0.6,1.0,0.8585686382016311,0.6958827359331095,0.60003598108423,0.5156260708656021,0.6675283565211431
EOS-5-00457,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)nc4)n23)ccn1,QPZYCKBNNQDJDF-UHFFFAOYSA-N,5,1,0.545,35,76,434.912,4.585,5,0.364,0.76,1.0,0.7853128640943047,0.8713076554040162,0.6063755054485642,0.6320163114248509,0.723753084092934
EOS-5-00458,Fc1ccc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)cc1-c1ccccn1,KWWDOHZNYVKJEJ-UHFFFAOYSA-N,5,1,0.54,4,71,433.834,4.015,5,0.386,0.74,1.0,0.8023439106298403,0.8563840723733809,0.7437033102597491,0.769883832499486,0.7930787814406141
EOS-5-00459,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cncnc1Cl,POBCKVCHQXWIKT-UHFFFAOYSA-N,5,1,0.5,35,982,477.887,4.066,5,0.323,0.68,1.0,0.912189020629155,0.8596652045781646,0.7761719553149201,0.709718319512028,0.814436125008567
EOS-5-00460,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsn5)nc4Cl)n23)cn1,HGQQBJDMZXEWRI-UHFFFAOYSA-N,5,1,0.542,58,28,453.89,4.119,5,0.357,0.52,1.0,0.7767116715783702,0.8436793228702625,0.49288088547734904,0.542423411692139,0.6639238229045302
EOS-5-00461,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,GBLZEORCQAQFBU-UHFFFAOYSA-N,5,1,0.517,58,28,453.89,4.119,5,0.357,0.59,1.0,0.7853214310191213,0.829843739291344,0.4182030018504558,0.47708347611541363,0.6276129120690838
EOS-5-00462,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)cn1,WVMUOBUZXDTHHU-UHFFFAOYSA-N,5,1,0.542,58,28,437.435,3.605,5,0.375,0.65,1.0,0.8177558083750257,0.802840792269207,0.517690699746419,0.4984493866081831,0.6591841717497088
EOS-5-00463,Fc1nc(-c2ccsn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,FJSZGHXBDMFUIX-UHFFFAOYSA-N,5,1,0.542,58,28,453.89,4.119,5,0.357,0.55,1.0,0.7880542800356384,0.8259971900486601,0.510314577479268,0.5586663011445412,0.6707580871770269
EOS-5-00464,N#Cc1cc(F)c(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1nccs1,PWFLHSQLYMJZSW-UHFFFAOYSA-N,5,1,0.511,11,141,477.912,4.595,5,0.352,0.66,0.998,0.9011462545404701,0.8794719347543006,0.7308614899595641,0.762276403262285,0.818439020629155
EOS-5-00465,COc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1cscn1,CLOGIUZKYGGTOA-UHFFFAOYSA-N,5,1,0.5,11,777,466.473,4.218,5,0.355,0.66,1.0,0.8520920430402302,0.7690442738674526,0.6727606058529231,0.5871256253855116,0.7202556370365294
EOS-5-00466,COc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1cnco1,BZITWYOHOZKBFJ-UHFFFAOYSA-N,5,1,0.5,35,103,450.405,3.75,5,0.37,0.69,1.0,0.872010143238983,0.6568432595435543,0.710001028030978,0.6083715989308478,0.7118065074360909
EOS-5-00467,Clc1cnc(COc2cncc3nnc(-c4ccc(Cl)c(-c5nccs5)c4)n23)nc1,DISIJJXVDPLNDI-UHFFFAOYSA-N,5,1,0.494,73,196,456.318,4.591,5,0.382,0.7,1.0,0.7535295730244671,0.8738348982249332,0.4895483517236653,0.6083801658556645,0.6813232472071826
EOS-5-00469,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cnsn1,VUQOUJPTKOPIMV-UHFFFAOYSA-N,5,1,0.522,15,729,449.471,3.474,5,0.348,0.63,1.0,0.8609845109999315,0.6811390583236242,0.5032554314303338,0.40154890000685356,0.6117319751901857
EOS-5-00472,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nn1,VRUVWMJBYDNDTF-UHFFFAOYSA-N,5,1,0.527,65,578,445.874,3.017,5,0.363,0.67,1.0,0.7563652251387842,0.8652594064834487,0.19595983825645946,0.21993866081831265,0.5093807826742512
EOS-5-00473,COc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1cscn1,YTUHOZRXOPYIDR-UHFFFAOYSA-N,5,1,0.563,11,729,448.483,4.079,5,0.347,0.68,1.0,0.8356092796929614,0.7383147145500651,0.6266619834144336,0.5020560619560003,0.6756605099033651
EOS-5-00474,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nnco1,CLEMIRKQMMZHCM-UHFFFAOYSA-N,5,1,0.531,72,729,433.403,3.006,5,0.357,0.7,1.0,0.9028168048797204,0.6419282434377356,0.48955691864848194,0.36026488931533135,0.5986417140703174
EOS-5-00475,Fc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1csnn1,IPCQAVQXWZXHNH-UHFFFAOYSA-N,5,1,0.583,37,386,453.89,4.119,5,0.357,0.69,1.0,0.7709032965526694,0.8471317935713796,0.6700620245356727,0.7228771160304297,0.7527435576725379
EOS-5-00476,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1cccnn1,WNSSLVMYFGQYSW-UHFFFAOYSA-N,5,1,0.474,72,224,454.425,3.242,5,0.38,0.7,1.0,0.8100712768144747,0.7818175587691042,0.645140840243986,0.5086011925159345,0.6864077170858748
EOS-5-00477,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1cscn1,LNFJLQREXYADCK-UHFFFAOYSA-N,5,1,0.5,4,61,459.466,3.908,5,0.376,0.71,1.0,0.8100798437392913,0.7985144952367899,0.6645877595778219,0.5253752313069701,0.6996393324652183
EOS-5-00479,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,WCCUIFFRXULROK-UHFFFAOYSA-N,5,1,0.53,58,28,437.435,3.605,5,0.375,0.71,1.0,0.782391542731821,0.8534284833116305,0.41073264341032145,0.41445068878075525,0.615250839558632
EOS-5-00480,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)n1,QGQOQPKBYWHYCS-UHFFFAOYSA-N,5,1,0.517,58,28,453.89,4.119,5,0.357,0.58,1.0,0.7767202385031869,0.8366030429716949,0.41432218490850525,0.4741621547529299,0.6254519052840792
EOS-5-00481,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cscn1,XKYCRBWDMOHWJK-UHFFFAOYSA-N,5,1,0.527,11,777,448.483,4.079,5,0.371,0.7,1.0,0.8257915838530601,0.7474299225549996,0.5032639983551505,0.417526214789939,0.6235029298882873
EOS-5-00482,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cncs1,ASKIQJAXDWJKGO-UHFFFAOYSA-N,5,1,0.565,35,982,448.483,4.079,5,0.371,0.68,1.0,0.8048368857514906,0.7861438558015215,0.6507007744500034,0.5355527379891714,0.6943085634980466
EOS-5-00484,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncsn5)cc4)n23)nc(F)n1,MJFZMWQAROHQPU-UHFFFAOYSA-N,5,1,0.548,15,320,438.423,3.0,5,0.294,0.61,1.0,0.8258001507778767,0.7773798917140703,0.30732986087314096,0.30308066616407375,0.5533976423822904
EOS-5-00486,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)c2)cs1,AYTPAELHMIEFCX-UHFFFAOYSA-N,5,1,0.583,11,684,432.484,4.379,5,0.396,0.78,1.0,0.8283959289973272,0.8143890069220753,0.5513158796518401,0.5020646288808169,0.6740413611130149
EOS-5-00487,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,OEOUPTKGYHEIAJ-UHFFFAOYSA-N,5,1,0.523,37,325,438.81,3.045,5,0.368,0.72,1.0,0.8177643752998424,0.7861524227263381,0.36669008292783223,0.39851620862175313,0.5922807723939415
EOS-5-00490,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccoc1,XIHZRKTXNWUXKE-UHFFFAOYSA-N,5,1,0.565,35,982,431.427,4.216,5,0.381,0.7,1.0,0.8892981975190186,0.7011513946953601,0.785381399492838,0.684420190528408,0.7650627955589062
EOS-5-00491,Fc1nc(-c2cocn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,WFKXUCMVCXRJDZ-UHFFFAOYSA-N,5,1,0.524,58,28,437.822,3.65,5,0.371,0.63,1.0,0.8258087177026935,0.7732934685765198,0.5644575423206086,0.5933709135768624,0.689232660544171
EOS-5-00492,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(C#N)c5)n34)cn2)cn1,MXBZJITZGSZXGY-UHFFFAOYSA-N,5,1,0.516,65,981,435.451,2.84,5,0.395,0.68,1.0,0.8306918648481941,0.781826125693921,0.3518179014460969,0.26735658967856896,0.5579231204166952
EOS-5-00493,Cc1cc(-c2cc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccn2)nnc1F,CLJLEBMQSNJNNN-UHFFFAOYSA-N,5,1,0.527,75,241,462.876,3.761,5,0.375,0.66,0.967,0.817772942224659,0.7941967651291892,0.4475532862723597,0.46185148379137825,0.6303436193543965
EOS-5-00495,Fc1ncccc1COc1cncc2nnc(-c3ccnc(-c4ccnc(Cl)c4)c3)n12,KZRXJJBMQDYIQR-UHFFFAOYSA-N,5,1,0.477,75,183,433.834,4.015,5,0.386,0.75,0.999,0.8450243300664794,0.7645894729627852,0.7832396682886711,0.7816290864231376,0.7936206394352683
EOS-5-00496,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1-c1cscn1,DFWDDNCDKMQSJH-UHFFFAOYSA-N,5,1,0.556,11,777,464.938,4.593,5,0.348,0.65,1.0,0.8307004317730108,0.7818346926187376,0.5577410732643411,0.5086097594407512,0.66972148927421
EOS-5-00497,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cnco1,FVQQMQJYZYOYLF-UHFFFAOYSA-N,5,1,0.553,35,103,432.415,3.611,5,0.36,0.72,1.0,0.8947638955520526,0.6666266876841889,0.6700705914604893,0.5219570283051196,0.6883545507504626
EOS-5-00498,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)nc3F)n12,GPVGIAADMYUGTL-UHFFFAOYSA-N,5,1,0.524,35,143,437.435,3.605,5,0.375,0.64,1.0,0.788062846960455,0.8366116098965115,0.4997344253306833,0.4891714070317319,0.6533950723048454
EOS-5-00499,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1-c1cccnn1,UJJBBESTGWFTMB-UHFFFAOYSA-N,5,1,0.5,72,925,477.887,4.066,5,0.323,0.66,1.0,0.8947724624768693,0.8767819203618669,0.6565348502501542,0.5991107532040298,0.75679999657323
EOS-5-00500,COc1cc(-c2nnc3cncc(OCc4nc(C#N)ccc4F)n23)ccc1-c1cscn1,FEGNTUKOGNAYKF-UHFFFAOYSA-N,5,1,0.468,4,61,459.466,3.908,5,0.376,0.71,1.0,0.807612569392091,0.790410184360222,0.6622318552532382,0.5424319786169557,0.7006716469056268
EOS-5-00501,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(F)c5)n34)cn2)cn1,KBQLSVDYGDROBJ-UHFFFAOYSA-N,5,1,0.549,65,981,428.431,3.107,5,0.38,0.64,1.0,0.8258172846275101,0.8626379274895484,0.40396477280515386,0.3314628880816942,0.6059707182509766
EOS-5-00502,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)s1,XZWALAZUKSBZDG-UHFFFAOYSA-N,5,1,0.614,72,619,433.472,3.774,5,0.402,0.72,1.0,0.8258258515523268,0.8028493591940237,0.3220992392570763,0.3218507984373929,0.5681563121102049
EOS-5-00504,Clc1ccc(CCOc2cncc3nnc(-c4cc(-c5nccs5)ccc4Cl)n23)nc1,QRHPLJFTSUBIDG-UHFFFAOYSA-N,5,1,0.545,11,275,469.357,5.238,5,0.339,0.72,1.0,0.7992255499965732,0.8684463025152491,0.6477880200123364,0.7416900829278322,0.7642874888629978
EOS-5-00505,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)ccn1,BZTXHBUTZHHAFI-UHFFFAOYSA-N,5,1,0.552,58,578,435.9,3.98,5,0.372,0.71,1.0,0.7476440956754163,0.889906449181002,0.3705366321705161,0.3985247755465698,0.601652988143376
EOS-5-00507,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)ccn1,MELKEKYSSBOFIL-UHFFFAOYSA-N,5,1,0.58,72,889,419.445,3.465,5,0.389,0.63,1.0,0.917706120211089,0.9018658762250702,0.4722688643684463,0.44608834212870946,0.6844823007333287
EOS-5-00508,Fc1cc(-c2nnco2)cnc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,REQGXAJGILUXCX-UHFFFAOYSA-N,5,1,0.556,34,712,423.795,3.608,5,0.422,0.78,1.0,0.8585772051264479,0.8899150161058187,0.615250839558632,0.6753478171475568,0.7597727194846138
EOS-5-00509,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5ccsn5)nc4Cl)n23)c1,URLZRMGDJYKKEI-UHFFFAOYSA-N,5,1,0.518,58,28,453.89,4.119,5,0.357,0.48,1.0,0.7709118634774861,0.8260057569734768,0.4863014872181482,0.5586748680693578,0.6604734939346173
EOS-5-00510,COc1cc(-c2nnc3cncc(OCCc4cc(C)cnc4Cl)n23)ccc1-c1cocn1,FYTAVKUCDAIFJK-UHFFFAOYSA-N,5,1,0.49,35,777,462.897,4.433,5,0.327,0.59,1.0,0.8609930779247481,0.6911537934343088,0.590261119868412,0.4832002604345144,0.6564020629154959
EOS-5-00511,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cncs1,XDKRNRDOEQNRGG-UHFFFAOYSA-N,5,1,0.539,35,103,448.483,4.079,5,0.371,0.68,1.0,0.8076211363169077,0.764598039887602,0.5207747926804195,0.43353779727229114,0.631632941539305
EOS-5-00512,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)cn1,DPRXBRXLSRPXIP-UHFFFAOYSA-N,5,1,0.533,65,981,428.431,3.107,5,0.38,0.68,1.0,0.8307089986978274,0.8502501542046467,0.3591854567884312,0.2968953464464396,0.5842599890343363
EOS-5-00513,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)ccn1,LNVCEPWMXAPDOP-UHFFFAOYSA-N,5,1,0.552,58,578,435.9,3.98,5,0.372,0.7,1.0,0.7592351449523679,0.8738434651497499,0.44038277020080874,0.4618600507161949,0.6338303577547804
EOS-5-00514,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(F)n1,SMRDXYYZBILIKB-UHFFFAOYSA-N,5,1,0.511,58,578,450.865,3.396,5,0.366,0.61,1.0,0.8232472071825098,0.7337828113220478,0.4219210472208896,0.4335463641971078,0.6031243574806388
EOS-5-00515,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,YYMMVTNBKWZRCM-UHFFFAOYSA-N,5,1,0.523,37,325,454.878,3.514,5,0.359,0.64,1.0,0.7624734425330684,0.8366201768213282,0.33675724761839493,0.39243369200191897,0.5820711397436776
EOS-5-00516,Fc1ncccc1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)cn4)c3)n12,MXELQDIGIJQUPJ-UHFFFAOYSA-N,5,1,0.461,2,422,433.834,4.015,5,0.386,0.71,1.0,0.835617846617778,0.7690528407922692,0.7693269823864026,0.7816376533479542,0.788908830786101
EOS-5-00517,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnsn4)nc3Cl)n12,CFYGBCINGXKRPS-UHFFFAOYSA-N,5,1,0.5,65,271,454.878,3.514,5,0.359,0.52,1.0,0.7709204304023027,0.8222277431293263,0.4004351997806867,0.47417072167774654,0.6169385237475156
EOS-5-00518,COc1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1cnccn1,JJSSWXJNRGPSBH-UHFFFAOYSA-N,5,1,0.556,35,467,443.442,3.413,5,0.377,0.7,1.0,0.8258344184771435,0.7288996641765472,0.49974299225549995,0.4043759851963539,0.6147132650263861
EOS-5-00521,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4Cl)n23)cc1,BTKFGLNCVWHNON-UHFFFAOYSA-N,5,1,0.693,91,386,469.357,5.238,5,0.339,0.8,1.0,0.7681875813857858,0.8952008087177027,0.7933829072716058,0.8652594064834487,0.8305076759646357
EOS-5-00522,Clc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,DYHOXAFPKWAUBQ-UHFFFAOYSA-N,5,1,0.617,72,386,435.9,3.98,5,0.398,0.72,1.0,0.7709289973271195,0.8563926392981975,0.4403913371256254,0.49231546843944896,0.6400071105475978
EOS-5-00523,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)n2)nc1,BRJFNVYCROHYRL-UHFFFAOYSA-N,5,1,0.529,65,262,428.431,3.107,5,0.38,0.67,1.0,0.8381622232883285,0.8298523062161607,0.25607394969501746,0.2317438832156809,0.5389580906037968
EOS-5-00524,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccsn1,PWYSBODLMGHKIV-UHFFFAOYSA-N,5,1,0.523,11,777,448.483,4.079,5,0.347,0.7,1.0,0.8127013227331917,0.7430607908984991,0.5678928791720924,0.46186861764101156,0.6463809026111987
EOS-5-00525,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ncon1,SFVNNXGHDJSRLY-UHFFFAOYSA-N,5,1,0.529,35,604,433.403,3.006,5,0.357,0.66,1.0,0.8818021383044342,0.6618292097868549,0.42192961414570623,0.30975430059625797,0.5688288157083133
EOS-5-00526,COc1ccc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)cc1-c1nccs1,LCWKOQWDBAGSFD-UHFFFAOYSA-N,5,1,0.584,11,777,448.483,4.079,5,0.371,0.69,0.984,0.8232557741073264,0.7242649578507299,0.48264341032143104,0.3953721472140361,0.6063840723733809
EOS-5-00527,Fc1cc(F)c(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)cc1F,CKRYEGJAWLPYIM-UHFFFAOYSA-N,5,1,0.55,24,912,440.41,4.306,5,0.379,0.61,1.0,0.810088410664108,0.7690614077170859,0.9047529298882873,0.8897693783839353,0.8434180316633542
EOS-5-00528,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5ccncn5)ns4)n23)cc1,AGZNMZPNPQSNSB-UHFFFAOYSA-N,5,1,0.608,24,232,421.873,3.937,5,0.424,0.68,1.0,0.8855715852237681,0.8846891919676513,0.41821156877527244,0.4984579535329998,0.6717325748749229
EOS-5-00529,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)nc3Cl)n12,HQXOOHPZKBOZBQ-UHFFFAOYSA-N,5,1,0.541,35,143,453.89,4.119,5,0.357,0.59,1.0,0.7382975807004317,0.862646494414365,0.5513244465766568,0.5933794805016791,0.6864120005482831
EOS-5-00531,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c1F,HJTUKLAXYSHPEJ-UHFFFAOYSA-N,5,1,0.478,58,28,455.425,3.744,5,0.36,0.57,1.0,0.762482009457885,0.8298608731409773,0.5176992666712357,0.5424405455417723,0.6631206737029676
EOS-5-00533,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)cnn3)n12,RNDDUJUJUTZLMN-UHFFFAOYSA-N,5,1,0.446,58,262,449.837,2.847,5,0.36,0.66,1.0,0.7506082516619834,0.8436878897950791,0.21009526420396135,0.2850387225001713,0.5223575320402988
EOS-5-00534,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cscn1,MHWNIGDWYTUVPP-UHFFFAOYSA-N,5,1,0.533,11,777,464.938,4.593,5,0.325,0.7,1.0,0.815117195531492,0.7818432595435543,0.5207833596052361,0.46480707285312867,0.6456377218833528
EOS-5-00535,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cnnc(Cl)c5)n34)cn2)cn1,WSBDNCDKMQCRQJ-UHFFFAOYSA-N,5,1,0.516,65,981,445.874,3.017,5,0.388,0.61,1.0,0.747652662600233,0.8471403604961962,0.234887944623398,0.237620793639915,0.5168254403399356
EOS-5-00536,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ncncc4F)n23)cc1F,IEWPVKFUACLLPK-UHFFFAOYSA-N,5,1,0.5,37,353,434.41,2.882,5,0.405,0.68,1.0,0.845032896991296,0.7337913782468645,0.4440836817216092,0.43660475635665824,0.614878178329107
EOS-5-00537,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccsn1,SEYRLPPLFQXFQF-UHFFFAOYSA-N,5,1,0.534,11,729,448.483,4.079,5,0.347,0.66,1.0,0.8177815091494757,0.7289082311013638,0.6120896443012817,0.49541669522308274,0.663549019943801
EOS-5-00539,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ccon1,ZTLOBSTXSJNUID-UHFFFAOYSA-N,5,1,0.534,11,777,432.415,3.611,5,0.36,0.7,1.0,0.8740405044205332,0.6861592762661914,0.6266705503392502,0.49232403536426567,0.6697985915975601
EOS-5-00540,Fc1nc(-c2ncon2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,UZJHHUBVLWAUNY-UHFFFAOYSA-N,5,1,0.529,58,262,438.81,3.045,5,0.368,0.69,1.0,0.8177900760742923,0.7474384894798163,0.3591940237132479,0.4078627235967377,0.5830713282160236
EOS-5-00541,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,HDNSXORJDFFMQP-UHFFFAOYSA-N,5,1,0.53,58,28,437.435,3.605,5,0.375,0.66,1.0,0.7853299979439381,0.8143975738468919,0.4826519772462477,0.4770920430402303,0.639867898019327
EOS-5-00542,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cnco1,FZYRNRGZPJMVIN-UHFFFAOYSA-N,5,1,0.553,35,103,448.87,4.125,5,0.343,0.65,1.0,0.8428140634637791,0.6714841340552395,0.6673291755191556,0.5715166883695428,0.6882860153519292
EOS-5-00543,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cocn1,LLOZWTLPFVLODB-UHFFFAOYSA-N,5,1,0.527,11,777,432.415,3.611,5,0.385,0.74,1.0,0.8740490713453499,0.6861678431910082,0.5241844287574532,0.42097011856623945,0.6263428654650127
EOS-5-00544,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cn1,FBGZLBJNYFZQMS-UHFFFAOYSA-N,5,1,0.538,65,904,428.431,3.107,5,0.406,0.66,1.0,0.8232643410321431,0.8436964567198958,0.4107412103351381,0.3474487697895963,0.6062876944691934
EOS-5-00545,Fc1cc(Cl)c(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1nncs1,JFIBZBATXJZTTK-UHFFFAOYSA-N,5,1,0.557,37,563,453.89,4.119,5,0.382,0.59,1.0,0.7383061476252485,0.8502587211294633,0.5032725652799671,0.5810773764649442,0.6682287026249057
EOS-5-00546,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4c[nH]nn4)cc3Cl)n12,CWPGVUZQEGNPPO-UHFFFAOYSA-N,5,1,0.528,37,832,436.838,3.385,5,0.434,0.62,1.0,0.7880714138852717,0.810473922280858,0.6920104859159756,0.7280943732437805,0.7546625488314714
EOS-5-00547,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)cc1-c1nccs1,NOCFOIJYJYHEMP-UHFFFAOYSA-N,5,1,0.563,11,777,448.483,4.079,5,0.347,0.77,1.0,0.8048454526763074,0.7430693578233157,0.5445394421218559,0.4238743060790898,0.6290821396751421
EOS-5-00548,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ccsn4)nc3Cl)n12,MKSGTIFRJSAJOJ-UHFFFAOYSA-N,5,1,0.53,58,28,453.89,4.119,5,0.357,0.59,1.0,0.7445428688917826,0.8437050236447124,0.45837331231581113,0.5156346377904187,0.6405639606606811
EOS-5-00549,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccsc4)nc3Cl)n12,WAQCOHUPGRTFII-UHFFFAOYSA-N,5,1,0.5,87,143,452.902,4.724,5,0.347,0.63,1.0,0.7383147145500651,0.8502672880542801,0.5610050716194914,0.6409516140086354,0.697634672058118
EOS-5-00550,Fc1cc(CCOc2cncc3nnc(-c4cc(F)nc(-c5nccs5)c4)n23)ccn1,MHOYQAUIQITSMD-UHFFFAOYSA-N,5,1,0.53,58,578,437.435,3.605,5,0.375,0.63,1.0,0.8151257624563086,0.7563052566650675,0.5032811322047838,0.48917997395654855,0.6409730313206772
EOS-5-00551,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,DQNLUJRXOAFQGG-UHFFFAOYSA-N,5,1,0.55,24,912,438.875,4.681,5,0.396,0.67,1.0,0.8076297032417243,0.7646066068124187,0.764700842985402,0.7886882324720719,0.7814063463779042
EOS-5-00552,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nccs1,IDLZKHDTVXXOHS-UHFFFAOYSA-N,5,1,0.534,11,729,464.938,4.593,5,0.325,0.69,1.0,0.8127098896580084,0.7818518264683709,0.5610136385443081,0.4832088273593311,0.6596960455075046
EOS-5-00553,Fc1nc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,OIGNNCHAHWTTRV-UHFFFAOYSA-N,5,1,0.529,58,262,454.878,3.514,5,0.359,0.63,1.0,0.7737646494414365,0.7985230621616065,0.32945822767459393,0.3985333424713865,0.5750698204372559
EOS-5-00554,COc1cc(-c2nnc3cncc(OCCc4ncccc4Cl)n23)ccc1-c1cccnn1,SGNJPNGYIAFRPO-UHFFFAOYSA-N,5,1,0.511,72,925,459.897,3.927,5,0.361,0.68,1.0,0.7992341169213899,0.7733020355013365,0.48631005414296485,0.4587502570077445,0.629399115893359
EOS-5-00555,COc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1nccs1,KGPZBMSXMPKKDU-UHFFFAOYSA-N,5,1,0.563,11,729,448.483,4.079,5,0.347,0.71,1.0,0.812718456582825,0.7198444246453293,0.5577496401891577,0.4366133232814749,0.6317314611746967
EOS-5-00557,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cc2F)n(C)n1,OZKASVQCWQHVJG-UHFFFAOYSA-N,5,1,0.575,37,626,464.892,3.704,5,0.353,0.64,1.0,0.7965012679048729,0.8028579261188403,0.4039733397299705,0.430239531217874,0.6083930162428894
EOS-5-00558,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)c(C)n1,RRMARLJJICZOCW-UHFFFAOYSA-N,5,1,0.505,65,904,442.458,3.416,5,0.394,0.7,1.0,0.7767288054280036,0.7985316290864232,0.28924508258515524,0.24046501267904874,0.5262426324446577
EOS-5-00560,COc1cc(-c2nnc3cncc(OCCc4nccc(F)c4F)n23)ccc1-c1nccs1,ZOVHDVXUAHPHGK-UHFFFAOYSA-N,5,1,0.5,11,777,466.473,4.218,5,0.355,0.65,1.0,0.8258429854019601,0.7646151737372353,0.6120982112260983,0.5253837982317867,0.6819850421492701
EOS-5-00562,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ncn4)n23)ccc1-c1cccnn1,DSEYITFNLPFIRP-UHFFFAOYSA-N,5,1,0.485,72,925,460.885,3.322,5,0.337,0.74,1.0,0.807638270166541,0.7563138235898842,0.4004437667055034,0.34415050373517925,0.577136591049277
EOS-5-00563,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncc[nH]1,PMXLBQYLJNDZON-UHFFFAOYSA-N,5,1,0.515,15,729,447.886,3.86,5,0.378,0.66,1.0,0.8381707902131451,0.6714927009800562,0.5967034473305463,0.5121564663148516,0.6546308512096498
EOS-5-00564,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)nc3Cl)n12,RBKKLLFEIOUPSJ-UHFFFAOYSA-N,5,1,0.524,35,143,453.89,4.119,5,0.357,0.63,1.0,0.7506168185868001,0.829869440065794,0.527671167157837,0.5777362757864437,0.6714734253992187
EOS-5-00565,Fc1nc(-c2ccon2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,YWWFJURQHLPNRC-UHFFFAOYSA-N,5,1,0.542,58,28,437.822,3.65,5,0.371,0.67,1.0,0.8076468370913576,0.764623740662052,0.5378401069152217,0.5683897608114591,0.6696251113700226
EOS-5-00566,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1nccs1,NKMIRDFFIAUUMB-UHFFFAOYSA-N,5,1,0.5,4,61,459.466,3.908,5,0.376,0.76,1.0,0.7853385648687548,0.7861609896511548,0.6063840723733809,0.4648156397779453,0.660674816667809
EOS-5-00567,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1nccs1,OAXVFUYFDVNUBI-UHFFFAOYSA-N,5,1,0.527,11,777,448.483,4.079,5,0.371,0.74,1.0,0.7992426838462066,0.747447056404633,0.44039990405044205,0.35377116030429717,0.5852152011513947
EOS-5-00568,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ncn3)n12,QEVRYQZPVNNWEI-UHFFFAOYSA-N,5,1,0.495,58,28,454.878,3.514,5,0.283,0.59,1.0,0.7476612295250497,0.8332790761428278,0.25291275443766703,0.3064474676170242,0.5350751319306422
EOS-5-00569,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cc4)n23)ccn1,SURJCOYFMMIGLT-UHFFFAOYSA-N,5,1,0.588,11,201,418.457,4.07,5,0.387,0.67,1.0,0.9204989377013227,0.9043245836474539,0.6421338496333356,0.6083887327804811,0.7688365259406484
EOS-5-00570,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cncs1,NEZUXETUNMNSMC-UHFFFAOYSA-N,5,1,0.553,35,103,464.938,4.593,5,0.325,0.71,1.0,0.802352477554657,0.7904187512850387,0.6421424165581523,0.564962990884792,0.6999691590706599
EOS-5-00571,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5nc[nH]n5)nc4Cl)n23)ccn1,QEUKHDOZMKZXJU-UHFFFAOYSA-N,5,1,0.495,58,578,454.281,3.295,5,0.388,0.59,1.0,0.765240559248852,0.8068501130834076,0.34815982454937977,0.44609690905352617,0.5915868514837914
EOS-5-00572,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)ccn1,ZTSWGYORJYSXTB-UHFFFAOYSA-N,5,1,0.588,11,201,418.457,4.07,5,0.387,0.72,1.0,0.9177146871359056,0.9087708176273045,0.5870485230621616,0.5454475361524227,0.7397453909944486
EOS-5-00573,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)ccn1,DPEQWCDSQJBORL-UHFFFAOYSA-N,5,1,0.542,58,28,470.345,4.633,5,0.334,0.58,1.0,0.7992512507710232,0.8502758549790967,0.5241929956822698,0.6115670618874649,0.6963217908299637
EOS-5-00574,COc1cc(-c2nnc3cncc(OCCc4ncnc(F)c4F)n23)ccc1-c1cscn1,PTXRBCQKKNVUCQ-UHFFFAOYSA-N,5,1,0.469,15,777,467.461,3.613,5,0.335,0.68,1.0,0.8356264135425947,0.7518247549859502,0.4863186210677815,0.39854190939620315,0.6180779247481324
EOS-5-00575,COc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1cscn1,XXAGYHXZQIITHW-UHFFFAOYSA-N,5,1,0.528,35,777,464.938,4.593,5,0.348,0.7,1.0,0.8127270235076417,0.7690699746419025,0.635700089096018,0.57466074977726,0.6980394592557055
EOS-5-00577,COc1cc(-c2nnc3cncc(OCc4cc(C#N)ccn4)n23)ccc1-c1ccc(F)nn1,SVAMOFRXKGQXRV-UHFFFAOYSA-N,5,1,0.48,72,224,454.425,3.242,5,0.38,0.64,1.0,0.7824001096566376,0.777388458638887,0.6945291618120759,0.5777448427112604,0.7080156432047152
EOS-5-00578,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)nc4Cl)n23)ccn1,NNVLTRMTKLBRJX-UHFFFAOYSA-N,5,1,0.542,35,143,453.89,4.119,5,0.357,0.52,1.0,0.7476697964498663,0.8298780069906107,0.577676307312727,0.6146511548214653,0.6924688163936673
EOS-5-00579,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ncsn1,LQSIQHQHZJHWBW-UHFFFAOYSA-N,5,1,0.547,35,604,449.471,3.474,5,0.348,0.65,1.0,0.8258515523267768,0.6911623603591255,0.43673326022890824,0.33461551641422793,0.5720906723322596
EOS-5-00581,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c1,LIJKTTQJQMPQTJ-UHFFFAOYSA-N,5,1,0.489,58,28,467.917,4.427,5,0.341,0.64,0.999,0.7737732163662532,0.8534370502364471,0.40764855047632104,0.43355493112192445,0.6171034370502364
EOS-5-00582,Fc1cnc(-c2cccs2)cc1-c1nnc2cncc(OCc3cccc(Cl)n3)n12,RDWLBTZMECYUJG-UHFFFAOYSA-N,5,1,0.523,24,912,438.875,4.681,5,0.371,0.78,1.0,0.7737817832910698,0.8068586800082242,0.662240422178055,0.712425467754095,0.7388265883078611
EOS-5-00583,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncncc5F)n34)c(F)c2)cs1,NZRYWDUHTZPKMK-UHFFFAOYSA-N,5,1,0.484,37,684,451.462,3.913,5,0.387,0.73,1.0,0.7794702213693373,0.7733106024261531,0.465209718319512,0.45548625865259407,0.6183692001918991
EOS-5-00584,COc1cc(-c2nnc3cncc(OCCc4cc(F)ncn4)n23)ccc1-c1cncs1,FIQINBFNCPBFQA-UHFFFAOYSA-N,5,1,0.511,15,103,449.471,3.474,5,0.348,0.65,1.0,0.7965098348296895,0.7383232814748818,0.43295524638475774,0.3248235213487766,0.5731529710095263
EOS-5-00585,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,SEAWFQKMLMOERN-UHFFFAOYSA-N,5,1,0.5,37,6,438.814,2.175,5,0.396,0.68,1.0,0.7624905763827017,0.8260143238982934,0.25608251661983417,0.31264135425947503,0.5393071927900761
EOS-5-00586,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Br)cc4)n23)cc1,PBXQMNUIQJMLMS-UHFFFAOYSA-N,5,1,0.803,48,378,452.312,3.535,4,0.484,0.93,1.0,0.8697313412377493,0.5948958261942293,0.5713025152491261,0.442772942224659,0.6196756562264409
EOS-5-00587,Cc1ncc(-c2cncc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)c2)cc1F,GKEFIEJURIJGLV-UHFFFAOYSA-N,5,1,0.469,2,307,463.423,3.991,5,0.376,0.59,1.0,0.7880799808100885,0.7985401960112398,0.8003649509971901,0.7722140360496196,0.7897997909670345
EOS-5-00588,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)cc2F)n1,MNPJKWVVYALVDB-UHFFFAOYSA-N,5,1,0.506,37,795,429.419,2.502,5,0.401,0.63,1.0,0.8177986429991091,0.8182269892399424,0.14480673017613596,0.14588616270303612,0.4816796312795559
EOS-5-00590,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,BJMWWFDZENHFEN-UHFFFAOYSA-N,5,1,0.5,58,28,454.878,3.514,5,0.283,0.59,1.0,0.7445514358165993,0.8298865739154273,0.210103831128778,0.25533719416078404,0.5099697587553971
EOS-5-00591,Fc1nc(-c2ccsn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,OTUBJVOCWBAXJH-UHFFFAOYSA-N,5,1,0.552,58,28,453.89,4.119,5,0.357,0.51,1.0,0.7624991433075183,0.7985487629360565,0.4329638133095744,0.4984665204578165,0.6231195600027414
EOS-5-00592,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnc(C)o1,AEWIWPWJBWHCJE-UHFFFAOYSA-N,5,1,0.516,35,982,446.442,3.919,5,0.371,0.64,1.0,0.8498046741141799,0.6373620725104516,0.6266791172640669,0.4554948255774107,0.6423351723665274
EOS-5-00593,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cnc(C)cn1,GLADCTZDDHGYEN-UHFFFAOYSA-N,5,1,0.505,15,777,457.469,3.721,5,0.365,0.72,1.0,0.8232729079569597,0.6958913028579261,0.4652182852443287,0.3409893084778288,0.5813429511342609
EOS-5-00594,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(Cl)c2)cs1,LOIXMXFDLQTKLZ-UHFFFAOYSA-N,5,1,0.581,11,684,448.939,4.893,5,0.368,0.8,1.0,0.7354961962853814,0.8366287437461449,0.46891919676512916,0.4832173942841478,0.6310653827702009
EOS-5-00595,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cnco1,HDMKXBYWPNPXFN-UHFFFAOYSA-N,5,1,0.535,35,103,432.415,3.611,5,0.36,0.69,1.0,0.8675639092591323,0.6715012679048729,0.6266876841888835,0.4862415187444315,0.6629985950243301
EOS-5-00596,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cnsn5)nc4F)n23)ccn1,WCTJVCAFHLJVEN-UHFFFAOYSA-N,5,1,0.517,58,271,438.423,3.0,5,0.373,0.56,1.0,0.804854019601124,0.7518333219107669,0.3967171544102529,0.41122095812487147,0.5911563635117538
EOS-5-00597,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nn1,UBFPKVXDCDXYEC-UHFFFAOYSA-N,5,1,0.5,65,904,445.418,2.202,5,0.368,0.66,1.0,0.7737903502158865,0.7773970255637036,0.20291618120759372,0.15872798300322116,0.47820788499760125
EOS-5-00598,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)cn1,YHLSNMQFPRPPJM-UHFFFAOYSA-N,5,1,0.542,58,28,470.345,4.633,5,0.334,0.6,1.0,0.7937427181139058,0.847148927421013,0.5103231444040847,0.5962236995408128,0.6868596223699541
EOS-5-00599,COc1cc(-c2nnc3cncc(OCc4nc(C#N)ccc4F)n23)ccc1-c1nccs1,XPUDYXMAEHCIPR-UHFFFAOYSA-N,5,1,0.468,4,61,459.466,3.908,5,0.376,0.76,1.0,0.7824086765814543,0.7774055924885204,0.6030858063189637,0.47710060996504694,0.6600001713384963
EOS-5-00600,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,PUDUSZDCDIZEEF-UHFFFAOYSA-N,5,1,0.524,58,28,437.435,3.605,5,0.375,0.68,1.0,0.7709375642519362,0.8144061407717086,0.4689277636899459,0.46815674045644573,0.6306070522925091
EOS-5-00601,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4Cl)n23)ccn1,RKYDWPDKWLTPDT-UHFFFAOYSA-N,5,1,0.542,58,28,470.345,4.633,5,0.334,0.57,1.0,0.782417243506271,0.8626550613391817,0.45125419779316017,0.5454561030772394,0.660445651428963
EOS-5-00602,Oc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nccs1,LOPDPMCFFZDDNZ-UHFFFAOYSA-N,5,1,0.534,35,161,434.456,3.776,5,0.434,0.64,1.0,0.8127355904324584,0.7602546090055514,0.5610222054691248,0.5020731958056336,0.6590214001781921
EOS-5-00603,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,NEHVRZLVHQYTBI-UHFFFAOYSA-N,5,1,0.542,35,143,453.89,4.119,5,0.357,0.54,1.0,0.7535381399492838,0.8068672469330409,0.5806490302241107,0.6174868069357823,0.6896353060105543
EOS-5-00604,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)ncc1Cl,MKSVPMRZUMEFMS-UHFFFAOYSA-N,5,1,0.547,75,583,453.89,4.119,5,0.382,0.63,1.0,0.7824258104310876,0.7602631759303681,0.4928894524021657,0.5324086765814543,0.6419967788362689
EOS-5-00605,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)cn1,NSUNSSHWPNELNC-UHFFFAOYSA-N,5,1,0.505,65,981,444.43,2.808,5,0.35,0.66,1.0,0.7737989171407031,0.777414159413337,0.34031252141731205,0.2434548694400658,0.5337451168528545
EOS-5-00606,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nncs4)nc3F)n12,JZPKYPJCYIGYRN-UHFFFAOYSA-N,5,1,0.506,58,271,438.423,3.0,5,0.373,0.67,1.0,0.7709461311767528,0.7985573298608731,0.35569015146323074,0.379823178671784,0.5762541977931601
EOS-5-00607,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)nc1Cl,XLIDAWHLTNLDQE-UHFFFAOYSA-N,5,1,0.54,24,583,453.89,4.119,5,0.357,0.62,1.0,0.7767373723528203,0.7690785415667192,0.5140411897745185,0.5486258652594065,0.6521207422383661
EOS-5-00608,COc1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1-c1nccs1,CAWUEBCDJVONST-UHFFFAOYSA-N,5,1,0.552,11,777,448.483,4.079,5,0.347,0.77,1.0,0.7908299636762388,0.7383318483996985,0.5103317113289014,0.3985504763210198,0.6095109999314646
EOS-5-00609,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4Cl)n23)ccc1F,VPCRVRQPFNWPTG-UHFFFAOYSA-N,5,1,0.489,47,702,447.821,3.215,5,0.434,0.67,1.0,0.7415701459803988,0.822236310054143,0.6673377424439723,0.6724093619354397,0.7258883901034885
EOS-5-00610,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)c1F,VFVPXGPKNTZDSG-UHFFFAOYSA-N,5,1,0.478,58,28,455.425,3.744,5,0.36,0.55,1.0,0.7563737920636009,0.7985658967856898,0.5839644301281612,0.6020577753409636,0.6852404735796039
EOS-5-00611,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,QCZPFGNOGHVTRR-UHFFFAOYSA-N,5,1,0.522,65,981,460.885,3.322,5,0.337,0.7,1.0,0.7592437118771845,0.8144147076965252,0.3819477760263176,0.3126499211842917,0.5670640291960798
EOS-5-00614,COc1cc(-c2nnc3cncc(OCCc4ncncc4F)n23)ccc1-c1cscn1,KTYDDYGARSWACD-UHFFFAOYSA-N,5,1,0.479,15,777,449.471,3.474,5,0.372,0.71,1.0,0.8048625865259407,0.7106349804674115,0.37054519909533273,0.2938883558357892,0.5449827804811185
EOS-5-00615,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1cnsc1,YMNHSGZUKFFCCC-UHFFFAOYSA-N,5,1,0.553,35,103,448.483,4.079,5,0.347,0.58,1.0,0.7937512850387225,0.7289167980261805,0.6645963265026387,0.5486344321842231,0.6839747104379412
EOS-5-00617,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cc3)n12,LMKOXEAXMIJSAZ-UHFFFAOYSA-N,5,1,0.684,19,271,453.89,4.119,5,0.357,0.65,1.0,0.7265351929271469,0.8366373106709616,0.5445480090466726,0.6320248783496676,0.6849363477486121
EOS-5-00618,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncsn4)cc3F)n12,WIGSUJBRSRIKJX-UHFFFAOYSA-N,5,1,0.573,35,325,437.435,3.605,5,0.401,0.68,1.0,0.7681961483106025,0.8028664930436571,0.6152594064834487,0.6205194983208827,0.7017103865396477
EOS-5-00619,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)ccc1-c1ccc(F)nn1,RDXAMGREZAOZHG-UHFFFAOYSA-N,5,1,0.442,72,925,478.875,3.461,5,0.347,0.63,1.0,0.8781611952573504,0.8819563429511342,0.472277431293263,0.4555033925022274,0.6719745905009937
EOS-5-00620,N#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)cc1,VMPCZGLRXYLRNW-UHFFFAOYSA-N,5,1,0.649,11,56,425.477,3.803,5,0.408,0.71,1.0,0.8307175656226441,0.8502844219039134,0.5207919265300528,0.4771091768898636,0.6697257727366185
EOS-5-00621,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,RFURCZOLIBRUKI-UHFFFAOYSA-N,5,1,0.524,58,28,437.435,3.605,5,0.375,0.69,1.0,0.762507710232335,0.8104824892056748,0.46177438146802824,0.4711465972174628,0.6264777945308752
EOS-5-00622,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nncs5)nc4F)n23)nc1,DRXBNRADKWYWBF-UHFFFAOYSA-N,5,1,0.505,58,24,438.423,3.0,5,0.373,0.66,1.0,0.7652491261736687,0.8028750599684737,0.2746127749982866,0.31265848810910835,0.5388488623123844
EOS-5-00623,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)nc1,POKBXTHBYLPCKG-UHFFFAOYSA-N,5,1,0.571,58,579,435.9,3.98,5,0.398,0.69,1.0,0.7265437598519635,0.8713162223288329,0.30012507710232333,0.3409978754026455,0.5597457336714413
EOS-5-00624,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1cnco1,FRHSTHHJLMDFDE-UHFFFAOYSA-N,5,1,0.5,4,83,443.398,3.44,5,0.388,0.73,1.0,0.7965184017545062,0.7289253649509972,0.704972243163594,0.5486429991090398,0.6947647522445344
EOS-5-00625,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccon1,DOWHTSUGZACKOP-UHFFFAOYSA-N,5,1,0.534,11,729,432.415,3.611,5,0.36,0.7,1.0,0.8610016448495648,0.6666352546090055,0.6390240559248852,0.5020817627304502,0.6671856795284764
EOS-5-00626,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ncsn1,XRUYNBZFHCCLKC-UHFFFAOYSA-N,5,1,0.529,35,604,449.471,3.474,5,0.348,0.64,1.0,0.8048711534507573,0.7011599616201768,0.39294770749091906,0.3030892330888904,0.5505170139126859
EOS-5-00627,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ncn4)n23)ccc1-c1cscn1,GZVBYLONSZZKNR-UHFFFAOYSA-N,5,1,0.511,15,777,465.926,3.988,5,0.332,0.71,1.0,0.804879720375574,0.7646323075868686,0.4143307518333219,0.3537797272291138,0.5844056267562195
EOS-5-00628,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnco1,XSXOQKSAVXAXHD-UHFFFAOYSA-N,5,1,0.565,35,982,432.415,3.611,5,0.385,0.69,1.0,0.8652936741827154,0.6568518264683709,0.6783291069837571,0.542449112466589,0.6857309300253581
EOS-5-00629,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccs4)n23)cc1Cl,UTPMEKRCMLETQN-UHFFFAOYSA-N,5,1,0.598,15,563,450.955,5.011,5,0.348,0.67,1.0,0.7709546981015695,0.7602717428551847,0.42576759646357343,0.44909533273935986,0.6015223425399219
EOS-5-00630,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1cnsc1,IYGPQGKDGAJBRB-UHFFFAOYSA-N,5,1,0.553,35,103,448.483,4.079,5,0.347,0.57,1.0,0.7965269686793228,0.7152696867932287,0.6757932972380234,0.5617418271537249,0.687332944966075
EOS-5-00631,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)n1,UQMPBVUXOWJKOB-UHFFFAOYSA-N,5,1,0.517,58,28,437.435,3.605,5,0.375,0.6,1.0,0.7592522788020012,0.8104910561304914,0.3518264683709136,0.3669899252964156,0.5721399321499555
EOS-5-00633,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)c2)cs1,PHBDFZAUFTYJJB-UHFFFAOYSA-N,5,1,0.581,11,684,432.484,4.379,5,0.396,0.8,1.0,0.7853471317935714,0.8104996230553081,0.46893633061476253,0.43356349804674116,0.6245866458775958
EOS-5-00634,Clc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,QZTAWYQUQKKJNJ-UHFFFAOYSA-N,5,1,0.595,11,0,434.912,4.585,5,0.389,0.75,1.0,0.7476783633746831,0.8437135905695292,0.47228599821807965,0.5219655952299362,0.646410886848057
EOS-5-00635,COc1cc(-c2nnc3cncc(OCCc4cc(F)nc(Cl)n4)n23)ccc1-c1cccnn1,IKCVAHVSEJIERV-UHFFFAOYSA-N,5,1,0.485,72,925,478.875,3.461,5,0.256,0.64,1.0,0.8818107052292509,0.8713247892536495,0.4512627647179768,0.39855904324583646,0.6507393256116784
EOS-5-00636,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1ccc(F)nn1,UGANAAJIRKBSGW-UHFFFAOYSA-N,5,1,0.484,72,482,478.875,3.461,5,0.347,0.67,1.0,0.8818192721540675,0.8713333561784662,0.44756185319717634,0.41753478171475567,0.6545623158111165
EOS-5-00637,COc1cc(-c2nnc3cncc(OCCc4ncccc4Cl)n23)ccc1-c1cnco1,JRKCMORNDULTIK-UHFFFAOYSA-N,5,1,0.539,35,103,448.87,4.125,5,0.366,0.65,1.0,0.8232814748817764,0.6568603933931876,0.5513330135014735,0.4954252621478994,0.6317250359810842
EOS-5-00638,COc1cc(-c2nnc3cncc(OCc4nc(C#N)ccc4F)n23)ccc1-c1cnco1,NEWFCZSXXRQMDX-UHFFFAOYSA-N,5,1,0.467,4,83,443.398,3.44,5,0.388,0.69,1.0,0.7965355356041396,0.7198529915701459,0.69994345829621,0.5649715578096086,0.6953258858200261
EOS-5-00640,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)ccc1-c1cccnn1,JPMHUAZGZLNERD-UHFFFAOYSA-N,5,1,0.465,72,925,460.885,3.322,5,0.36,0.62,1.0,0.7682047152354191,0.7861695565759715,0.35920259063806453,0.34100644232746213,0.5636458261942293
EOS-5-00644,COc1cc(-c2nnc3cncc(OCCc4cncc(F)c4)n23)ccc1-c1cnsc1,LNEHYDJNOQOZPQ-UHFFFAOYSA-N,5,1,0.538,35,103,448.483,4.079,5,0.371,0.55,1.0,0.7824343773559044,0.7289339318758139,0.6593105338907546,0.5617503940785415,0.6831073093002535
EOS-5-00645,Cc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,IKUIQURJNZBCEA-UHFFFAOYSA-N,5,1,0.512,58,578,449.927,4.288,5,0.357,0.62,1.0,0.7172400795010623,0.8332876430676445,0.2856812418614214,0.30309780001370706,0.5348266911109588
EOS-5-00646,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4ncccn4)nc3F)n12,AQEKBQJGNVLTOV-UHFFFAOYSA-N,5,1,0.441,65,262,433.382,2.333,5,0.372,0.66,1.0,0.7992598176958399,0.7646408745116853,0.2101123980535947,0.23175245014049756,0.5014413851004044
EOS-5-00647,COc1cc(-c2nnc3cncc(OCCc4ncccc4Cl)n23)ccc1-c1cscn1,WPXUWMMDXFKFBS-UHFFFAOYSA-N,5,1,0.527,11,777,464.938,4.593,5,0.348,0.72,1.0,0.7937598519635392,0.7602803097800014,0.5032896991296004,0.4711551641422795,0.6321212562538551
EOS-5-00650,COc1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1cccnn1,WNVZNZQWWVRAIV-UHFFFAOYSA-N,5,1,0.485,72,925,477.887,4.066,5,0.346,0.62,1.0,0.8799602494688507,0.8402182852443287,0.6534250565417038,0.6146597217462819,0.7470658282502912
EOS-5-00651,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccc(C)nn1,WFBQKYRPIFGZGZ-UHFFFAOYSA-N,5,1,0.5,72,925,457.469,3.721,5,0.365,0.66,1.0,0.7992683846206565,0.7060259749160441,0.57460934822836,0.4335720649715578,0.6283689431841546
EOS-5-00652,COc1cc(-c2nnc3cncc(OCCc4ncccc4Cl)n23)ccc1-c1ccnnc1,DTWYKUFVIKJKMQ-UHFFFAOYSA-N,5,1,0.522,15,202,459.897,3.927,5,0.361,0.64,1.0,0.7652576930984853,0.7774227263381537,0.5713110821739429,0.532417243506271,0.6616021862792132
EOS-5-00653,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cnco1,AKOUCPCMLKRYDE-UHFFFAOYSA-N,5,1,0.539,35,103,432.415,3.611,5,0.385,0.71,1.0,0.8632804468507984,0.647102666027003,0.5513415804262902,0.4395432115687753,0.6253169762182167
EOS-5-00654,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)ccn1,JFXCFVXALXGUBP-UHFFFAOYSA-N,5,1,0.61,35,325,421.367,3.136,5,0.385,0.71,1.0,0.9090363922966213,0.7904273182098553,0.6390326228497019,0.6146682886710986,0.7382911555068192
EOS-5-00655,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,IQQGSZZYTLZWGA-UHFFFAOYSA-N,5,1,0.524,58,28,437.435,3.605,5,0.375,0.63,1.0,0.7738074840655198,0.7690871084915358,0.5410527037214722,0.5324258104310876,0.6540932766774038
EOS-5-00657,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1cncs1,IIBJHMOULXGBRC-UHFFFAOYSA-N,5,1,0.533,15,103,464.938,4.593,5,0.325,0.71,1.0,0.7880885477349051,0.7646494414365019,0.5378486738400384,0.48009046672606404,0.6426692824343774
EOS-5-00658,COc1cc(-c2nnc3cncc(OCCc4cccc(F)n4)n23)ccc1-c1ccsn1,DIYSURZWEXDGTH-UHFFFAOYSA-N,5,1,0.533,11,777,448.483,4.079,5,0.347,0.64,1.0,0.7767459392776369,0.7289424988006306,0.5070420121993009,0.4144592557055719,0.606797426495785
EOS-5-00659,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)nc(Cl)n1,JUPVCTOTTYUOCA-UHFFFAOYSA-N,5,1,0.495,58,28,472.868,3.653,5,0.209,0.59,1.0,0.7767545062024536,0.8738520320745665,0.30733842779795767,0.36370022616681513,0.5804112980604482
EOS-5-00660,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,OCOMYHFLVDDXAO-UHFFFAOYSA-N,5,1,0.5,58,28,454.878,3.514,5,0.283,0.56,1.0,0.7383232814748818,0.7985744637105064,0.26705674730998563,0.3097628675210746,0.5284293400041121
EOS-5-00661,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCCc3ccccn3)n12,DQJMKMDUDWEYKR-UHFFFAOYSA-N,5,1,0.5,72,386,433.472,3.856,5,0.36,0.69,1.0,0.759260845726818,0.8222448769789596,0.27050065108628607,0.3097714344458913,0.5404444520594888
EOS-5-00662,N#Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5nc[nH]n5)c4)n23)ccc1F,NNBPXWJDXHCAFX-UHFFFAOYSA-N,5,1,0.478,47,702,431.366,2.7,5,0.449,0.63,1.0,0.8076554040161743,0.7646580083613186,0.667346309368789,0.6379103556987183,0.71939251936125
EOS-5-00663,Clc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3nccs3)n12,RGTMBWBTNKBKNH-UHFFFAOYSA-N,5,1,0.595,72,386,441.929,4.041,5,0.392,0.69,1.0,0.7265523267767802,0.8222534439037763,0.1827239394147077,0.2701237063943527,0.5004133541224043
EOS-5-00664,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCCOc3ccccc3)n12,YFEIRYNWCCJCJQ-UHFFFAOYSA-N,5,1,0.5,91,309,431.431,3.563,5,0.375,0.73,1.0,0.8331762730450277,0.7152782537180453,0.4549636762387773,0.4491038996641765,0.6131305256665067
EOS-5-00665,COc1ccc(-c2nnc3cncc(OCc4ccc(F)nc4)n23)cc1-c1nccs1,FBRIXNJYAKWBRS-UHFFFAOYSA-N,5,1,0.505,97,992,434.456,4.037,5,0.373,0.77,1.0,0.8331848399698444,0.6762730450277569,0.6181978616955658,0.4771177438146803,0.6511933726269619
EOS-5-00666,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nc1,UJCAYYAWYMWWOD-UHFFFAOYSA-N,5,1,0.571,58,579,435.9,3.98,5,0.398,0.7,1.0,0.7296963881844973,0.8437221574943459,0.36317764375299844,0.4043845521211706,0.585245185388253
EOS-5-00667,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4ccsn4)nc3Cl)n12,IEOJEBKPHMJWJB-UHFFFAOYSA-N,5,1,0.524,58,28,453.89,4.119,5,0.357,0.56,1.0,0.7265608937015968,0.8105081899801247,0.5070505791241177,0.577753409636077,0.6554682681104791
EOS-5-00668,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cnsn4)nc3F)n12,VVJGEKNKOKHQTF-UHFFFAOYSA-N,5,1,0.5,58,271,438.423,3.0,5,0.373,0.62,0.999,0.7767630731272702,0.7563223905147008,0.35183503529573024,0.37347508738263313,0.5645988965800837
EOS-5-00669,OC(Cc1nccs1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,FWKRRVGKFQBQTG-UHFFFAOYSA-N,5,1,0.624,11,275,478.965,4.194,5,0.357,0.64,0.999,0.869739908162566,0.8767904872866835,0.6565434171749709,0.6231666780892331,0.7565601226783634
EOS-5-00670,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCc3ncc(Cl)cn3)n12,VHVIHVAXUBHIAV-UHFFFAOYSA-N,5,1,0.459,51,196,440.851,3.471,5,0.409,0.7,1.0,0.7355047632101981,0.8105167569049414,0.37453738605989995,0.4461054759783428,0.5916660955383456
EOS-5-00671,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccsn1,XYFDQGOJFZXFEK-UHFFFAOYSA-N,5,1,0.528,35,777,448.483,4.079,5,0.371,0.69,1.0,0.7853556987183881,0.7060345418408608,0.6211106161332328,0.5156432047152354,0.6570360153519292
EOS-5-00672,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCCc3cccc(Cl)n3)n12,KILHBNVWYMLDHD-UHFFFAOYSA-N,5,1,0.433,58,28,467.917,4.509,5,0.257,0.59,1.0,0.7625162771571516,0.8260228908231101,0.3258172846275101,0.4112295250496882,0.5813964944143649
EOS-5-00673,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nccs1,ANKSRQWJZQICDE-UHFFFAOYSA-N,5,1,0.625,35,201,418.457,4.07,5,0.414,0.74,1.0,0.9136196970735385,0.8794805016791173,0.5644661092454253,0.5486515660338565,0.7265544685079843
EOS-5-00674,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,LKMLDBARDZNVQM-UHFFFAOYSA-N,5,1,0.524,58,28,437.435,3.605,5,0.375,0.63,1.0,0.7682132821602358,0.7733191693509698,0.5343619354396546,0.5355613049139881,0.6528639229662121
EOS-5-00675,Clc1ccc(CCOc2cncc3nnc(-c4ccccc4-c4nccs4)n23)nc1,YUNWGGURAGLYGZ-UHFFFAOYSA-N,5,1,0.552,11,275,434.912,4.585,5,0.389,0.71,1.0,0.779478788294154,0.7690956754163526,0.42193818107052294,0.4891885408813652,0.6149252964155987
EOS-5-00676,COc1cc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)ccc1-c1nccs1,CGVRJFDWKXDMOV-UHFFFAOYSA-N,5,1,0.528,35,777,464.938,4.593,5,0.348,0.71,1.0,0.7794873552189706,0.7646665752861352,0.5713196490987595,0.5054571311082174,0.6552326776780207
EOS-5-00677,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nc[nH]n1,IIBIVSXRFDHKGK-UHFFFAOYSA-N,5,1,0.511,15,729,432.419,2.741,5,0.39,0.53,1.0,0.8498132410389967,0.6568689603180042,0.4617829483928449,0.33783668014529505,0.5765754574737852
EOS-5-00678,Clc1ccc(CCOc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)cn1,VOMOKJYPCBHRLW-UHFFFAOYSA-N,5,1,0.53,58,583,470.345,4.633,5,0.334,0.63,1.0,0.7937684188883558,0.8028836268932904,0.5610307723939415,0.634954766636968,0.6981593962031389
EOS-5-00679,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1nncs1,HKXWZUUDQQZLFI-UHFFFAOYSA-N,5,1,0.539,35,925,449.471,3.474,5,0.372,0.63,1.0,0.7853642656432047,0.7011685285449935,0.46179151531766155,0.36699849222123226,0.578830700431773
EOS-5-00680,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)cc1-c1cscn1,WOTHRYUXRNJBQE-UHFFFAOYSA-N,5,1,0.563,11,777,464.938,4.593,5,0.325,0.72,1.0,0.782442944280721,0.7563309574395175,0.612106778150915,0.5355698718388048,0.6716126379274896
EOS-5-00681,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)n2)n1,WBOJNTQDENDYKC-UHFFFAOYSA-N,5,1,0.506,58,262,428.431,3.107,5,0.38,0.66,1.0,0.812744157357275,0.7861781235007882,0.2560910835446508,0.22271434445891303,0.5194319272154068
EOS-5-00682,COc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cscn1,TUZRJZQOMHXHPR-UHFFFAOYSA-N,5,1,0.563,11,729,464.938,4.593,5,0.325,0.67,1.0,0.7908385306010555,0.7383404153245151,0.6240747721197999,0.5519155643890069,0.6762923206085943
EOS-5-00683,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccsn1,ASIQHGPHSZOQBB-UHFFFAOYSA-N,5,1,0.534,11,777,464.938,4.593,5,0.325,0.64,1.0,0.7853728325680214,0.7518418888355836,0.6000445480090467,0.5324343773559044,0.6674234116921389
EOS-5-00684,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)ccn1,IXSWCEPTKJIDKU-UHFFFAOYSA-N,5,1,0.577,75,583,435.9,3.98,5,0.372,0.67,1.0,0.7709632650263861,0.7691042423411693,0.37840963607703376,0.40439311904598724,0.5807175656226441
EOS-5-00685,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)nc1,XXCHQPBLEHBCOG-UHFFFAOYSA-N,5,1,0.552,58,28,470.345,4.633,5,0.334,0.59,1.0,0.7794959221437873,0.822262010828593,0.447570420121993,0.5553594681653073,0.6511719553149202
EOS-5-00688,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5nccs5)n34)c(F)n2)nc1,MHQYRIRCBNALHX-UHFFFAOYSA-N,5,1,0.581,58,262,438.423,3.0,5,0.373,0.63,1.0,0.7709718319512028,0.7518504557604002,0.16349119320128846,0.19936947433349325,0.4714207388115962
EOS-5-00689,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nc4)n23)ccc1-c1ncsn1,UUOLXBZMIQBTFH-UHFFFAOYSA-N,5,1,0.553,15,604,449.471,3.474,5,0.348,0.66,1.0,0.7880971146597218,0.6911709272839421,0.4257761633883901,0.32483208827359333,0.5574690734014118
EOS-5-00690,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1ccsn1,AIWUCOCWWVOAGH-UHFFFAOYSA-N,5,1,0.511,35,777,448.483,4.079,5,0.371,0.65,1.0,0.7795044890686039,0.7060431087656774,0.6152679734082653,0.5187358645740525,0.6548878589541498
EOS-5-00691,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)nc3Cl)n12,XUVVOCNLWJYXBC-UHFFFAOYSA-N,5,1,0.524,35,143,453.89,4.119,5,0.357,0.53,1.0,0.7110376259337948,0.8182355561647591,0.5806575971489274,0.6349633335617847,0.6862235282023165
EOS-5-00692,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnc(C)nn1,BWXKPYJJWMQHGQ-UHFFFAOYSA-N,5,1,0.5,35,982,458.457,3.116,5,0.363,0.68,1.0,0.7992769515454733,0.6762816119525735,0.42910013021725724,0.312667055033925,0.5543314371873073
EOS-5-00693,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,IQNVZBAJABRFIV-UHFFFAOYSA-N,5,1,0.534,87,143,453.89,4.119,5,0.357,0.52,1.0,0.729704955109314,0.7904358851346721,0.5032982660544171,0.5617589610033582,0.6462995168254404
EOS-5-00694,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1nncs1,KKOPRARISBDDBW-UHFFFAOYSA-N,5,1,0.531,72,729,465.926,3.988,5,0.332,0.62,1.0,0.7937769858131725,0.7337999451716811,0.4512713316427935,0.39538071413885273,0.5935572441916249
EOS-5-00695,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)nc3F)n12,FLMMESUOAAFZQS-UHFFFAOYSA-N,5,1,0.541,35,143,437.435,3.605,5,0.375,0.61,1.0,0.7297135220341306,0.8182441230895757,0.5577582071139744,0.545464670002056,0.6627951305599341
EOS-5-00696,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1-c1ncsn1,ZXDQVZFKBMQTBG-UHFFFAOYSA-N,5,1,0.511,15,467,467.461,3.613,5,0.335,0.62,1.0,0.8100969775889246,0.7198615584949627,0.4997515591803166,0.41123809197450484,0.6102370468096772
EOS-5-00697,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cnsn1,KGFRJDAICOPSOM-UHFFFAOYSA-N,5,1,0.522,15,729,465.926,3.988,5,0.332,0.65,1.0,0.8151343293811254,0.6958998697827428,0.5033068329792337,0.44911246658899323,0.6158633746830238
EOS-5-00698,COc1cc(-c2nnc3cncc(OCCc4cc(C)cnc4Cl)n23)ccc1-c1cccnn1,CVFNQCSYYBCSSD-UHFFFAOYSA-N,5,1,0.48,72,925,473.924,4.235,5,0.324,0.61,1.0,0.8542937427181139,0.7474556233294497,0.5548283188266739,0.46816530738126244,0.6561857480638751
EOS-5-00699,CCOc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1OC,RONHSIFSFYNWRM-UHFFFAOYSA-N,5,1,0.614,90,636,425.876,3.869,4,0.423,0.73,1.0,0.8404667260640121,0.7818603933931876,0.5610393393187582,0.40440168597080395,0.6469420361866904
EOS-5-00700,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)n2)cn1,WREUAHORNCRMDO-UHFFFAOYSA-N,5,1,0.517,65,271,428.431,3.107,5,0.38,0.63,1.0,0.8023610444794737,0.7904444520594888,0.31486875471180864,0.27013227331916934,0.5444516311424851
EOS-5-00701,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ncccc3Cl)n12,ZTMYTSXBYSYOEX-UHFFFAOYSA-N,5,1,0.506,58,28,453.89,4.119,5,0.357,0.58,1.0,0.7050322116373107,0.8222705777534096,0.40398190665478717,0.48625008566924816,0.6043836954286889
EOS-5-00703,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccon5)nc4Cl)n23)ccn1,BVZOHCPGDNTILC-UHFFFAOYSA-N,5,1,0.542,58,28,437.822,3.65,5,0.371,0.59,1.0,0.7795130559934206,0.7289510657254472,0.5343705023644713,0.5649801247344254,0.6519536872044411
EOS-5-00704,COc1ccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)cc1-c1cscn1,QWOQJNOFDNGDNF-UHFFFAOYSA-N,5,1,0.511,4,702,459.466,3.908,5,0.376,0.72,1.0,0.7563823589884175,0.7563395243643342,0.6646048934274553,0.5289048043314372,0.6765578952779111
EOS-5-00705,Clc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,YTPZFEZTVYAEDQ-UHFFFAOYSA-N,5,1,0.562,58,28,435.9,3.98,5,0.372,0.64,1.0,0.7383318483996985,0.8105253238297581,0.3403210883421287,0.3858799945171681,0.5687645637721883
EOS-5-00706,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)n1,LQYDTTHKOTZMLZ-UHFFFAOYSA-N,5,1,0.517,58,28,437.435,3.605,5,0.375,0.58,1.0,0.7535467068741005,0.7733277362757864,0.4219467479953396,0.4302480981426907,0.5947673223219793
EOS-5-00707,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(Cl)c2)s1,CJCIUBFDUOMXJH-UHFFFAOYSA-N,5,1,0.622,72,386,449.927,4.288,5,0.382,0.68,1.0,0.7141131519429785,0.8028921938181071,0.32210780618189294,0.370048317455966,0.5522903673497361
EOS-5-00708,Cn1ncnc1-c1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1F,ACWVWVWTHLYUBO-UHFFFAOYSA-N,5,1,0.558,37,125,434.41,2.882,5,0.379,0.73,0.999,0.7937855527379891,0.7242735247755465,0.48632718799259816,0.47712631073949696,0.6203781440614077
EOS-5-00709,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)n1,KUTLWXKMLFVGEW-UHFFFAOYSA-N,5,1,0.511,65,904,429.419,2.502,5,0.401,0.68,1.0,0.7795216229182372,0.8105338907545747,0.2238366116098965,0.2082962099924611,0.5055470838187923
EOS-5-00710,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)n1,JVNQDAMUJYEHIW-UHFFFAOYSA-N,5,1,0.5,58,28,454.878,3.514,5,0.283,0.56,1.0,0.7205383455554794,0.7942053320540059,0.2670653142348023,0.3157854156671921,0.5243986018778699
EOS-5-00711,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)nnc4C)n23)ccc1-c1cccnn1,YDWLELSLRZQQPN-UHFFFAOYSA-N,5,1,0.476,72,925,474.912,3.63,5,0.349,0.58,1.0,0.8450414639161127,0.7818689603180042,0.3221163731067096,0.27283942156123636,0.5554665547255156
EOS-5-00712,COc1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1nccs1,ZGQLWUUCWQEXRD-UHFFFAOYSA-N,5,1,0.534,35,982,448.483,4.079,5,0.371,0.74,1.0,0.7795301898430539,0.6861764101158249,0.5679014460969091,0.45240216571859365,0.6215025529435954
EOS-5-00714,Fc1cnc(CCOc2cncc3nnc(-c4cccc(-c5nncs5)c4)n23)cc1F,BFGMYGJBQPTHGE-UHFFFAOYSA-N,5,1,0.506,72,628,437.435,3.605,5,0.401,0.69,1.0,0.7682218490850524,0.7430779247481324,0.5610479062435748,0.5617675279281749,0.6585288020012336
EOS-5-00715,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)cs1,KDHIDWWVXWGFAD-UHFFFAOYSA-N,5,1,0.538,58,56,433.472,3.774,5,0.377,0.82,0.997,0.7476869302994997,0.8068758138578576,0.3294667945994106,0.285047289424988,0.5422692070454389
EOS-5-00717,N#CCCc1nc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ncccn1,QFTJHLYEGKZDIU-UHFFFAOYSA-N,5,1,0.414,18,578,467.468,3.255,5,0.316,0.62,0.998,0.7965441025289562,0.7338085120964979,0.2066170927283942,0.22272291138372968,0.4899231546843945
EOS-5-00718,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12,DTGOGWBYLKMXPS-UHFFFAOYSA-N,5,1,0.506,58,28,453.89,4.119,5,0.357,0.57,1.0,0.6989496950174765,0.8222791446782263,0.40045233363032007,0.4771348776643136,0.5997040127475841
EOS-5-00719,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3ccc(F)c(C#N)n3)n12,CZZMGCSTHXPVEY-UHFFFAOYSA-N,5,1,0.484,4,702,454.45,3.771,5,0.393,0.71,1.0,0.7326262764717977,0.764675142210952,0.7176941265163457,0.6608868480570215,0.7189705983140292
EOS-5-00720,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnsn1,XCLKJCUBIGYXTB-UHFFFAOYSA-N,5,1,0.516,35,982,449.471,3.474,5,0.372,0.64,1.0,0.7908470975258721,0.6618377767116715,0.5140497566993352,0.4175433486395723,0.5960694948941128
EOS-5-00721,Fc1cc(Cl)cc(F)c1Oc1cncc2nnc(-c3ccnc(-c4cccnn4)c3)n12,RJCANUWOYWCLTO-UHFFFAOYSA-N,5,1,0.447,13,724,437.797,4.367,5,0.412,0.65,1.0,0.7383404153245151,0.7861866904256049,0.8564954423959975,0.8684377355904325,0.8123650709341375
EOS-5-00722,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cnsc1,WIYIAHCYLWISPB-UHFFFAOYSA-N,5,1,0.535,35,103,448.483,4.079,5,0.347,0.57,1.0,0.7592694126516346,0.7198701254197793,0.6326502638612843,0.5219741621547529,0.6584409910218628
EOS-5-00723,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)nc3Cl)n12,XXWCZHKZVHNLIL-UHFFFAOYSA-N,5,1,0.506,58,271,438.81,3.045,5,0.368,0.6,1.0,0.7767716400520869,0.7152868206428621,0.38568295524638474,0.43662189020629155,0.5785908265369063
EOS-5-00724,Cn1c(C#N)cnc1-c1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)cn1,YFGFRKHRWGVKND-UHFFFAOYSA-N,5,1,0.495,87,510,441.43,2.614,5,0.394,0.61,0.999,0.7709803988760194,0.7106435473922281,0.2821431019121376,0.27905900897813724,0.5107065142896307
EOS-5-00725,Fc1cc(-c2ncon2)cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,JLYCGRUSWHNAKX-UHFFFAOYSA-N,5,1,0.612,35,325,437.822,3.65,5,0.371,0.67,1.0,0.7881056815845384,0.6959084367075594,0.6182064286203824,0.6466571859365362,0.6872194332122541
EOS-5-00726,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsn5)nc4F)n23)ccn1,DVCMARUYJHAVNM-UHFFFAOYSA-N,5,1,0.542,58,28,437.435,3.605,5,0.375,0.55,1.0,0.7563909259132342,0.7518590226852169,0.5103402782537181,0.5086183263655678,0.6318021383044342
EOS-5-00727,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)ccn1,KPLKDXFULBRVLE-UHFFFAOYSA-N,5,1,0.577,75,583,435.9,3.98,5,0.372,0.61,1.0,0.7709889658008361,0.7383489822493318,0.4512798985676102,0.47116373106709614,0.6079453944212185
EOS-5-00728,Fc1nc(-c2ncon2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,WDCHKIWJHKSSRP-UHFFFAOYSA-N,5,1,0.511,58,262,438.81,3.045,5,0.368,0.69,1.0,0.7682304160098691,0.7242820917003633,0.2892536495099719,0.35699232403536424,0.5346896203138921
EOS-5-00729,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,CQDLGFOXTLSVMF-UHFFFAOYSA-N,5,1,0.595,72,386,453.89,4.119,5,0.357,0.67,1.0,0.7141217188677952,0.7904530189843054,0.6622489891028717,0.7066941950517442,0.7183794805016791
EOS-5-00730,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncsn4)nc3Cl)n12,XYZZLZQJLPKBBM-UHFFFAOYSA-N,5,1,0.512,65,262,454.878,3.514,5,0.359,0.56,1.0,0.7172486464258789,0.7861952573504215,0.3334846823384278,0.4144678226303886,0.5628491021862791
EOS-5-00731,COc1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1cscn1,IYNHBXNNZMFMGH-UHFFFAOYSA-N,5,1,0.556,11,777,448.483,4.079,5,0.371,0.68,1.0,0.765266260023302,0.7011770954698101,0.5033153999040504,0.4209786854910561,0.5976843602220547
EOS-5-00732,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cn2)cn1,KMYJSFAIBDRRFI-UHFFFAOYSA-N,5,1,0.489,65,579,445.874,3.017,5,0.363,0.67,1.0,0.6989582619422932,0.8144232746213419,0.17634158042629017,0.16373106709615518,0.46336354602152013
EOS-5-00733,Fc1nc(-c2ccsn2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,DDCKNNWKNUFOST-UHFFFAOYSA-N,5,1,0.517,58,28,453.89,4.119,5,0.357,0.53,1.0,0.7172572133506956,0.7862038242752382,0.4004609005551367,0.47117229799191285,0.5937735590432458
EOS-5-00734,Clc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,QPQKAVMBRYQOKC-UHFFFAOYSA-N,5,1,0.581,72,386,435.9,3.98,5,0.398,0.7,1.0,0.7205469124802961,0.8182526900143924,0.35921115756288124,0.42388287300390654,0.580473408265369
EOS-5-00735,COc1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)cc1-c1cncs1,CGFAWGRHSNHBES-UHFFFAOYSA-N,5,1,0.473,16,83,469.889,4.085,5,0.343,0.73,1.0,0.7682389829346857,0.8029007607429237,0.5445565759714893,0.4771434445891303,0.6482099410595572
EOS-5-00736,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnsn5)nc4F)n23)c1F,MCIIAHUGAGSDRC-UHFFFAOYSA-N,5,1,0.443,58,24,456.413,3.139,5,0.359,0.47,1.0,0.7383489822493318,0.7518675896100336,0.45497224316359397,0.5020903296552669,0.6118197861695566
EOS-5-00737,COc1cc(-c2nnc3cncc(OCCc4ccnnc4)n23)ccc1-c1ccc(C#N)nn1,ZKPMQYJLXNHJLJ-UHFFFAOYSA-N,5,1,0.489,72,925,451.45,2.54,5,0.363,0.65,1.0,0.7965526694537729,0.6373706394352683,0.4004694674799534,0.2909327667740388,0.5313313857857583
EOS-5-00738,CCCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)nn1,AYWHWMDUSIYECS-UHFFFAOYSA-N,5,1,0.49,65,904,457.473,3.146,5,0.346,0.65,0.999,0.7172657802755124,0.7904615859091221,0.11273216366253169,0.12338941813446645,0.4359622369954081
EOS-5-00739,Clc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc(-c2ccsc2)n1,ZOMZAIDQGHOLKH-UHFFFAOYSA-N,5,1,0.562,35,234,434.912,4.585,5,0.364,0.73,1.0,0.744560002741416,0.7862123912000548,0.5644746761702419,0.6020663422657803,0.6743283530943732
EOS-5-00740,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnnc5)n34)c(F)n2)nc1,WPQIVOXEHZKAQN-UHFFFAOYSA-N,5,1,0.489,65,262,429.419,2.502,5,0.375,0.67,1.0,0.7795387567678707,0.7862209581248715,0.17949420875882394,0.1614351312452882,0.4766722637242136
EOS-5-00741,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)ccn1,WYPQEYOPEYZIID-UHFFFAOYSA-N,5,1,0.58,72,889,435.9,3.98,5,0.372,0.76,1.0,0.7326348433966143,0.7942138989788226,0.5103488451785347,0.5486601329586731,0.6464644301281612
EOS-5-00742,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nnc1Cl,BTGSAMIISHFHNO-UHFFFAOYSA-N,5,1,0.489,58,579,454.878,3.514,5,0.384,0.63,1.0,0.6989668288671098,0.8105424576793914,0.30013364402714005,0.37005688438078266,0.5449249537386059
EOS-5-00743,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1cscn1,CIVRXOGCVBXTIZ-UHFFFAOYSA-N,5,1,0.517,97,61,452.446,4.176,5,0.357,0.73,1.0,0.732643410321431,0.7518761565348503,0.7411332328147489,0.6409601809334521,0.7166532451511205
EOS-5-00744,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ccsn1,FMYWBMVORBPARS-UHFFFAOYSA-N,5,1,0.534,11,729,464.938,4.593,5,0.325,0.66,1.0,0.7682475498595024,0.7383575491741484,0.6121153450757316,0.5454732369268728,0.6660484202590637
EOS-5-00745,Fc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)c(F)n2)nc1,PUVZDQZYGAVRHD-UHFFFAOYSA-N,5,1,0.453,58,262,433.382,2.333,5,0.372,0.71,1.0,0.7563994928380509,0.7733363032006031,0.1994637105064766,0.23176101706531424,0.4902401309026112
EOS-5-00747,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnsc1,VFLXQWTVRHEUSQ-UHFFFAOYSA-N,5,1,0.565,35,982,448.483,4.079,5,0.371,0.56,1.0,0.7535552737989172,0.7106521143170448,0.6836748680693578,0.5777619765608937,0.6814110581865535
EOS-5-00748,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)sc1F,RVPMJMLPXFJDTR-UHFFFAOYSA-N,5,1,0.522,65,904,451.462,3.913,5,0.387,0.66,1.0,0.7326519772462476,0.743086491672949,0.4004780344047701,0.37983174559660066,0.5640120622301418
EOS-5-00749,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,PMDHPBHIZGXNDT-UHFFFAOYSA-N,5,1,0.5,4,208,439.863,4.076,5,0.407,0.65,1.0,0.7110461928586115,0.7985830306353231,0.6121239120005483,0.6608954149818381,0.6956621376190802
EOS-5-00750,N#Cc1nc(COc2cncc3nnc(-c4ccc(F)c(-c5ncon5)c4)n23)ccc1F,OJZWDPXIEQCFBJ-UHFFFAOYSA-N,5,1,0.506,4,702,432.35,2.965,5,0.412,0.75,1.0,0.785381399492838,0.7338170790213145,0.6727691727777397,0.6409687478582689,0.7082340997875403
EOS-5-00752,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cnoc1,WPKYKVJYNXFHCI-UHFFFAOYSA-N,5,1,0.535,35,103,432.415,3.611,5,0.36,0.6,1.0,0.815142896305942,0.6715098348296895,0.6565519840997875,0.5289133712562538,0.6680295216229183
EOS-5-00754,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)nc3Cl)n12,FMAWBZQFAJBAJL-UHFFFAOYSA-N,5,1,0.541,35,143,453.89,4.119,5,0.357,0.56,1.0,0.6898944554862586,0.8144318415461586,0.5870570899869783,0.6320334452744842,0.68085420807347
EOS-5-00755,COc1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1nccs1,ZUGKDQVULQIDIH-UHFFFAOYSA-N,5,1,0.563,11,729,464.938,4.593,5,0.325,0.69,1.0,0.7652748269481187,0.7338256459461312,0.5548368857514906,0.48322596120896444,0.6342908299636763
EOS-5-00756,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ncn4)n23)cc1F,JHVZBSJKPLNYEI-UHFFFAOYSA-N,5,1,0.469,37,353,464.892,3.879,5,0.337,0.67,1.0,0.7652833938729354,0.7289596326502639,0.43297238023439105,0.43955177849359195,0.5916917963127956
EOS-5-00757,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4Cl)n23)ccn1,IEWKFBKUNTYMPH-UHFFFAOYSA-N,5,1,0.595,72,386,453.89,4.119,5,0.357,0.68,1.0,0.6959512713316428,0.7985915975601399,0.6622575560276883,0.7097268864368447,0.7166318278390789
EOS-5-00758,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1C#N,TUNFOKDYQUKPGB-UHFFFAOYSA-N,5,1,0.551,35,161,440.442,3.219,5,0.399,0.64,1.0,0.7881142485093551,0.652208553217737,0.7230570214515798,0.655121307655404,0.704625282708519
EOS-5-00759,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cc(Cl)cnn3)n12,MQVGVYOAXKCECO-UHFFFAOYSA-N,5,1,0.462,58,28,454.878,3.514,5,0.359,0.56,1.0,0.6838890411897746,0.8182612569392091,0.21680316633541225,0.30645603454184084,0.5063523747515591
EOS-5-00760,COc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1-c1cnoc1,MARBJNRLXPOFDS-UHFFFAOYSA-N,5,1,0.547,35,103,432.415,3.611,5,0.385,0.62,1.0,0.8232900418065932,0.6471112329518196,0.6999520252210266,0.590158316770612,0.6901279041875129
EOS-5-00761,Clc1cc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,IXJPRYQLNJHOKU-UHFFFAOYSA-N,5,1,0.622,37,325,435.9,3.98,5,0.398,0.67,1.0,0.7110547597834281,0.810551024604208,0.34409053526146255,0.4078712905215544,0.5683919025426633
EOS-5-00762,Fc1nc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,ARFOXEOUSRUWCI-UHFFFAOYSA-N,5,1,0.5,58,28,438.81,3.045,5,0.291,0.57,1.0,0.7592779795764513,0.7106606812418614,0.23840895072304846,0.26425536289493523,0.49315074360907407
EOS-5-00763,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ccsn1,WLQJGBBVHOKQIY-UHFFFAOYSA-N,5,1,0.527,11,777,448.483,4.079,5,0.371,0.69,1.0,0.7535638407237338,0.6959170036323761,0.4895654855732986,0.41447638955520527,0.5883806798711535
EOS-5-00765,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1csc(C)n1,OJESLVAEXVVOIF-UHFFFAOYSA-N,5,1,0.527,11,777,462.51,4.387,5,0.355,0.78,1.0,0.7476954972243164,0.7338342128709479,0.4404084709752587,0.3314714550065109,0.5633524090192584
EOS-5-00766,Fc1ccc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1ncon1,WUCJKZMOBNMWLU-UHFFFAOYSA-N,5,1,0.512,73,196,424.783,3.003,5,0.419,0.75,1.0,0.8356349804674115,0.7691128092659859,0.38937529984236857,0.4524107326434103,0.6116334555547941
EOS-5-00767,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12,ASMALUSFHDKFRU-UHFFFAOYSA-N,5,1,0.457,58,28,454.878,3.514,5,0.359,0.56,1.0,0.7018196148310603,0.7818775272428209,0.26707388115961894,0.347457336714413,0.5245570899869783
EOS-5-00769,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cccs3)n12,GWOIGDBDXGMXAC-UHFFFAOYSA-N,5,1,0.625,58,28,424.486,4.132,5,0.382,0.63,1.0,0.8048882873003906,0.8260314577479269,0.3038945240216572,0.31579398259200875,0.5626520629154959
EOS-5-00770,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4Cl)n23)ccc1F,BHLTVVRAGPBQAN-UHFFFAOYSA-N,5,1,0.506,4,6,448.809,2.61,5,0.429,0.66,1.0,0.6809848536769242,0.8144404084709752,0.5610564731683915,0.5933880474264958,0.6624674456856966
EOS-5-00771,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cc(Cl)cnn5)n34)ccn2)ncn1,LJTJXUBILZCXBR-UHFFFAOYSA-N,5,1,0.453,75,819,449.837,2.847,5,0.36,0.65,1.0,0.7141302857926118,0.751884723459667,0.3481683914741964,0.4044102528956206,0.554648413405524
EOS-5-00772,COc1ccc(-c2nnc3cncc(OCCc4ccc(C#N)cc4)n23)cc1-c1ccc(C)cn1,OGLQHTQTVLUCOZ-UHFFFAOYSA-N,5,1,0.614,89,309,462.513,4.664,5,0.347,0.78,1.0,0.8284044959221438,0.5801692824343774,0.8060705229250908,0.6695394421218559,0.721045935850867
EOS-5-00773,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)n1,LQPHCAUIIQNVDZ-UHFFFAOYSA-N,5,1,0.511,87,699,428.431,3.107,5,0.406,0.74,1.0,0.7535724076485505,0.8222877116030429,0.23489651154821464,0.21451579740936194,0.5063181070522925
EOS-5-00775,Fc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nn3)n12,GUKVYWLMFMZTOB-UHFFFAOYSA-N,5,1,0.473,58,132,454.878,3.514,5,0.359,0.56,1.0,0.6927900760742923,0.7942224659036392,0.2670824480844356,0.3378452470701117,0.5229850592831197
EOS-5-00776,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnsn4)nc3F)n12,JJVACBORXXEPFS-UHFFFAOYSA-N,5,1,0.5,65,271,438.423,3.0,5,0.373,0.57,1.0,0.7445685696662326,0.7289681995750805,0.4076571174011377,0.42720683983277363,0.577100181618806
EOS-5-00777,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCc3nc(F)ncc3F)n12,QFSSDCPFVKNEMP-UHFFFAOYSA-N,5,1,0.436,4,526,448.418,3.434,5,0.376,0.68,1.0,0.717274347200329,0.7474641902542664,0.5967120142553629,0.5683983277362757,0.6574622198615585
EOS-5-00778,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1ncsn1,JNJZFKGWPPVDKX-UHFFFAOYSA-N,5,1,0.547,35,604,465.926,3.988,5,0.332,0.66,1.0,0.7795473236926873,0.6959255705571928,0.4329809471592077,0.3828558700568844,0.5728274278664931
EOS-5-00780,COc1ccc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)cc1-c1nccs1,XBESSLGXOVTITE-UHFFFAOYSA-N,5,1,0.511,4,702,459.466,3.908,5,0.376,0.77,1.0,0.7326605441710644,0.7383661160989651,0.6000531149338634,0.464824206702762,0.6339759954766637
EOS-5-00781,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,HLOIYLRAJAFCJS-UHFFFAOYSA-N,5,1,0.5,4,799,439.863,4.076,5,0.407,0.69,1.0,0.7110633267082448,0.7774312932629703,0.5967205811801796,0.6466657528613529,0.6829702385031868
EOS-5-00783,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ns4)n23)ccc1-c1cccnc1,OAAJTPTUEAYDJK-UHFFFAOYSA-N,5,1,0.522,35,103,464.938,4.593,5,0.348,0.63,1.0,0.7235110684668631,0.7862295250496881,0.48266054417106435,0.4681738743060791,0.6151437529984237
EOS-5-00784,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)s1,CNLWIXOUEZWQGU-UHFFFAOYSA-N,5,1,0.538,65,904,433.472,3.774,5,0.402,0.62,1.0,0.7265694606264136,0.7942310328284559,0.39672572133506956,0.3474659036392297,0.5662480296072921
EOS-5-00785,Fc1cccc(Cl)c1COc1cncc2nnc(-c3cncc(-c4cscn4)c3)n12,NLCPMOQHVJPFAL-UHFFFAOYSA-N,5,1,0.471,59,332,438.875,4.681,5,0.396,0.71,1.0,0.7535809745733671,0.7060516756904941,0.8234356795284764,0.8520320745665136,0.7837751010897128
EOS-5-00786,Clc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)cc(-c2cscn2)n1,PDLLEFZZQZBPPV-UHFFFAOYSA-N,5,1,0.543,58,583,435.9,3.98,5,0.372,0.63,1.0,0.7383575491741484,0.7518932903844836,0.3929562744157357,0.4272154067575903,0.5776056301829895
EOS-5-00787,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)cc4F)n23)ccn1,RHQONWYMAOYFIO-UHFFFAOYSA-N,5,1,0.598,35,325,421.367,3.136,5,0.385,0.75,1.0,0.8837725310122678,0.7646837091357687,0.6357086560208347,0.6115756288122816,0.7239351312452882
EOS-5-00788,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1cnoc1,TTWHORRXPYTZSG-UHFFFAOYSA-N,5,1,0.565,35,982,432.415,3.611,5,0.385,0.63,1.0,0.8101055445137414,0.6522171201425536,0.7049808100884106,0.5841357686244946,0.6878598108423001
EOS-5-00789,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cnn1,JRWJDANNFVFUAZ-UHFFFAOYSA-N,5,1,0.505,65,904,428.431,3.107,5,0.406,0.67,1.0,0.7592865465012679,0.8068843807826742,0.4689448975395792,0.4112466588993215,0.6115906209307107
EOS-5-00790,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ncsn1,HCMJKXZOXQBRAP-UHFFFAOYSA-N,5,1,0.54,35,604,449.471,3.474,5,0.372,0.61,1.0,0.7564080597628675,0.6715184017545062,0.44757898704680965,0.3537882941539305,0.5573234356795285
EOS-5-00791,Clc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccsc3)n12,SBOLOUKGZBYJLR-UHFFFAOYSA-N,5,1,0.531,58,28,440.941,4.646,5,0.358,0.62,1.0,0.6899030224110754,0.7986001644849565,0.2783308203687204,0.3410150092522788,0.5269622541292578
EOS-5-00792,Fc1cc(-c2nnc3cncc(OCCc4nccnc4F)n23)ccc1-c1ncsn1,GFPLROLBEYVBKD-UHFFFAOYSA-N,5,1,0.529,20,325,438.423,3.0,5,0.399,0.66,1.0,0.7050407785621273,0.7862380919745048,0.2856898087862381,0.33148002193132753,0.5271121753135494
EOS-5-00793,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncsn5)cc4Cl)n23)nc1,QZHCOACUHFIKHZ-UHFFFAOYSA-N,5,1,0.553,37,141,470.345,4.633,5,0.357,0.65,1.0,0.7326691110958811,0.8222962785278597,0.5276797340826537,0.6435987937769858,0.681560979370845
EOS-5-00794,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnc(C)cn1,NMQLZFFPSVITTL-UHFFFAOYSA-N,5,1,0.511,15,426,473.924,4.235,5,0.324,0.7,1.0,0.8356435473922281,0.7106692481666781,0.5679100130217257,0.4491210335138099,0.6408359605236105
EOS-5-00795,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nn[nH]n5)cc4F)n23)ccn1,UZYOSNHESFJBQH-UHFFFAOYSA-N,5,1,0.576,37,6,421.371,2.266,5,0.415,0.71,1.0,0.8543023096429305,0.8223048454526763,0.5177078335960523,0.515651771640052,0.6774916900829278
EOS-5-00797,Fc1ccc(Cl)c(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1,AKCCWQBVETVDIS-UHFFFAOYSA-N,5,1,0.488,59,109,438.875,4.681,5,0.396,0.79,1.0,0.7383661160989651,0.7242906586251799,0.7933914741964224,0.8269909533273936,0.7707598005619902
EOS-5-00798,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccc(F)c(F)n5)n34)c2)nc1,WSFSKCYPQUXGFT-UHFFFAOYSA-N,5,1,0.467,2,422,435.369,3.64,5,0.389,0.63,1.0,0.7235196353916798,0.7733448701254197,0.8406037968610788,0.8230587348365431,0.7901317593036804
EOS-5-00799,Cc1ncsc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cn1,WULGOZZSDFBCLY-UHFFFAOYSA-N,5,1,0.544,65,904,433.472,3.774,5,0.402,0.72,1.0,0.7265780275512302,0.7818860941676375,0.35569871838804745,0.3218593653622096,0.5465055513672813
EOS-5-00800,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cnsc1,XWLRTVFOMKZHEF-UHFFFAOYSA-N,5,1,0.553,35,103,464.938,4.593,5,0.325,0.58,1.0,0.747704064149133,0.7338427797957645,0.6758018641628402,0.6083972997052978,0.6914365019532589
EOS-5-00801,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1nncs1,QMLNJRLIKMCTHP-UHFFFAOYSA-N,5,1,0.516,72,925,449.471,3.474,5,0.372,0.65,1.0,0.7326776780206977,0.7060602426153109,0.3334932492632445,0.2728479884860531,0.5112697895963265
EOS-5-00802,Clc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3nccs3)n12,CBZWAXAHMHKLBE-UHFFFAOYSA-N,5,1,0.625,58,28,441.929,4.041,5,0.367,0.62,1.0,0.689911589335892,0.7904701528339387,0.12154752929888288,0.1829895140840244,0.4462296963881845
EOS-5-00803,Fc1nc(-c2cnsn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,JBWVQBPWHLZUKQ-UHFFFAOYSA-N,5,1,0.463,58,24,455.866,2.909,5,0.281,0.47,1.0,0.705049345486944,0.7563480912891508,0.1665410184360222,0.22273147830854637,0.4626674833801658
EOS-5-00804,Cc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)ccn1,QCVMHZQURHTIDF-UHFFFAOYSA-N,5,1,0.529,58,28,433.472,3.774,5,0.377,0.7,1.0,0.7205554794051128,0.7904787197587554,0.30390309094647383,0.2582413816736344,0.5182946679459941
EOS-5-00805,Fc1nc(-c2ccsn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3F)n12,VXEUNVIFEMGOGL-UHFFFAOYSA-N,5,1,0.512,58,698,455.425,3.744,5,0.36,0.57,1.0,0.6959598382564595,0.7691213761908026,0.6507093413748201,0.6409773147830855,0.6891919676512919
EOS-5-00806,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ccsn4)nc3F)n12,ALGRMNADLADDHV-UHFFFAOYSA-N,5,1,0.53,58,28,437.435,3.605,5,0.375,0.63,1.0,0.7172829141251457,0.760288876704818,0.4652268521691454,0.4711808649167295,0.6034948769789596
EOS-5-00807,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cccs5)cn4)n23)nc1,XFSQGHQXRBEOTI-UHFFFAOYSA-N,5,1,0.506,49,162,434.912,4.585,5,0.389,0.76,0.999,0.7172914810499623,0.777439860187787,0.4722945651428963,0.5355784387636214,0.6256510862860668
EOS-5-00808,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)ccc1F,BMYWWJYHIMAEHV-UHFFFAOYSA-N,5,1,0.494,24,702,448.418,3.434,5,0.376,0.61,1.0,0.6780121307655405,0.7942395997532725,0.5070591460489343,0.4800990336508807,0.614852477554657
EOS-5-00809,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,JONWREKTWXYOLJ-UHFFFAOYSA-N,5,1,0.552,37,6,421.371,2.266,5,0.415,0.73,1.0,0.852100609965047,0.8182698238640258,0.46895346446439584,0.4771520115139469,0.6541189774518539
EOS-5-00810,COc1ccc(-c2nnc3cncc(OCCc4ncccc4F)n23)cc1-c1nccs1,XGJREZRYSYHOKK-UHFFFAOYSA-N,5,1,0.556,11,777,448.483,4.079,5,0.371,0.72,1.0,0.7355133301350147,0.6911794942087588,0.4329895140840244,0.3537968610787472,0.5533697998766363
EOS-5-00811,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsn5)nc4Cl)n23)ccn1,QXJIQAGSANHJMC-UHFFFAOYSA-N,5,1,0.542,58,28,470.345,4.633,5,0.334,0.58,1.0,0.7355218970598314,0.8068929477074909,0.5033239668288672,0.6052104036734973,0.6627373038174217
EOS-5-00812,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cncc(Cl)c5F)n34)ccn2)cs1,SMBXUYWDAPGSFG-UHFFFAOYSA-N,5,1,0.489,24,199,453.89,4.385,5,0.39,0.7,1.0,0.7564166266876842,0.6522256870673703,0.615276540333082,0.6084058666301144,0.6580811801795627
EOS-5-00813,Clc1cccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)n1,PPGIURODBKTCLY-UHFFFAOYSA-N,5,1,0.517,58,28,470.345,4.633,5,0.334,0.59,1.0,0.7326862449455144,0.8105595915290248,0.41074977725995476,0.5253923651566034,0.6198469947227743
EOS-5-00814,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)cc4)n23)sn1,QQMWFEVWGYNPQE-UHFFFAOYSA-N,5,1,0.615,16,32,423.889,3.881,5,0.426,0.7,1.0,0.8206428620382428,0.790487286683572,0.2746213419231033,0.36027345624014806,0.5615062367212665
EOS-5-00815,Fc1csc(-c2cncc(-c3nnc4cncc(OCCc5ccncc5F)n34)c2)c1,NJSSKYUBFARXNH-UHFFFAOYSA-N,5,1,0.517,2,904,436.447,4.21,5,0.397,0.64,1.0,0.7477126310739497,0.7106778150914947,0.7670653142348023,0.764880748406552,0.7475841272016998
EOS-5-00816,COc1cc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)ccc1-c1ccsn1,VAEIEAHWMQRGOT-UHFFFAOYSA-N,5,1,0.533,11,777,464.938,4.593,5,0.325,0.65,1.0,0.735530463984648,0.7430950585977657,0.5033325337536838,0.46187718456582827,0.6109588102254815
EOS-5-00817,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccc(C#N)nn1,BKRQTXZXXYKDMJ-UHFFFAOYSA-N,5,1,0.522,72,925,450.462,3.145,5,0.368,0.7,1.0,0.779555890617504,0.6042423411692139,0.4962476869302995,0.3766191487903502,0.5641662668768419
EOS-5-00818,Cc1ncc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)cn1,WWAIWNSHBLZISH-UHFFFAOYSA-N,5,1,0.506,58,28,434.46,3.169,5,0.376,0.68,0.998,0.717300047974779,0.7733534370502364,0.14481529710095264,0.12559968473716673,0.44026711671578367
EOS-5-00819,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5nccc(F)c5F)n34)cn2)cs1,FIZMGWUVRNUHOH-UHFFFAOYSA-N,5,1,0.522,58,579,451.462,3.913,5,0.387,0.69,0.998,0.6989753957919266,0.7519018573093003,0.4291086971420739,0.4144849564800219,0.5736177266808307
EOS-5-00820,COc1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccc1-c1nccs1,MUQACAUUNLTXDC-UHFFFAOYSA-N,5,1,0.517,97,61,452.446,4.176,5,0.357,0.75,1.0,0.7050579124117606,0.7383746830237817,0.6836834349941745,0.5810859433897608,0.6770504934548693
EOS-5-00821,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ccsn5)nc4Cl)n23)cn1,ZKTMUAZELWGQBZ-UHFFFAOYSA-N,5,1,0.542,58,28,470.345,4.633,5,0.334,0.57,1.0,0.732694811870331,0.8069015146323076,0.48957405249811525,0.5901668836954287,0.6548343156740457
EOS-5-00822,COc1cc(-c2nnc3cncc(OCCc4cc(F)ns4)n23)ccc1-c1cnsc1,PDRJVPFVFQFASE-UHFFFAOYSA-N,5,1,0.529,35,103,454.512,4.141,5,0.365,0.54,1.0,0.7110718936330614,0.7289767664998972,0.3929648413405524,0.3314885888561442,0.5411255225824138
EOS-5-00824,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1nnco1,YYVPIXZQVJEIFE-UHFFFAOYSA-N,5,1,0.516,72,925,433.403,3.006,5,0.382,0.74,1.0,0.8151514632307587,0.6090655198409979,0.3666986498526489,0.2819374957165376,0.5182132821602358
EOS-5-00825,COc1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1-c1ncsn1,KSDJUZNAWFXYNO-UHFFFAOYSA-N,5,1,0.576,35,604,449.471,3.474,5,0.348,0.65,1.0,0.7506253855116167,0.6522342539921869,0.4329980810088411,0.33462408333904464,0.5426204509629223
EOS-5-00826,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,UVECVCREGVGMPK-UHFFFAOYSA-N,5,1,0.602,72,386,453.89,4.119,5,0.357,0.67,1.0,0.6780206976903571,0.7862466588993215,0.647796586937153,0.695685696662326,0.7019374100472895
EOS-5-00828,N#Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)nc1,ABEOHAMWOFMIFV-UHFFFAOYSA-N,5,1,0.53,65,981,421.424,2.531,5,0.406,0.79,1.0,0.8428226303885957,0.8182783907888425,0.30391165787129054,0.2790675759029539,0.5610200637379207
EOS-5-00829,Cc1cnnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)n2)n1,HGSSTUSJHQSFFQ-UHFFFAOYSA-N,5,1,0.506,65,271,429.419,2.502,5,0.375,0.6,1.0,0.7592951134260846,0.7602974436296347,0.14774518538825304,0.1458947296278528,0.45330811801795623
EOS-5-00830,Fc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)nc1F,LEZXLQMKMSTSEJ-UHFFFAOYSA-N,5,1,0.517,75,496,437.435,3.605,5,0.375,0.62,1.0,0.7564251936125008,0.6811476252484409,0.5343790692892879,0.5086268932903845,0.6201446953601535
EOS-5-00831,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)nc3F)n12,OWYZBHRYUMZVMU-UHFFFAOYSA-N,5,1,0.524,35,143,437.435,3.605,5,0.375,0.69,1.0,0.7205640463299294,0.7383832499485985,0.5343876362141046,0.5289219381810705,0.6305642176684257
EOS-5-00832,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1-c1cscn1,ZWJMIEOECRSYBQ-UHFFFAOYSA-N,5,1,0.527,11,777,482.928,4.732,5,0.31,0.64,1.0,0.9121975875539716,0.8652679734082653,0.6758104310876568,0.617495373860599,0.7676928414776232
EOS-5-00833,COc1cc(-c2nnc3cncc(OCCc4ccsc4Cl)n23)ccc1-c1cnco1,NLUQFSRAQQCWQJ-UHFFFAOYSA-N,5,1,0.542,35,103,453.911,4.791,5,0.35,0.61,1.0,0.7535895414981838,0.6522428209170036,0.6565605510246042,0.5777705434857103,0.6600408642313754
EOS-5-00835,COc1ccc(-c2nnc3cncc(OCc4nc(C#N)ccc4F)n23)cc1-c1nccs1,CBQIJFCNUAIIOK-UHFFFAOYSA-N,5,1,0.479,4,61,459.466,3.908,5,0.376,0.75,1.0,0.7173086148995956,0.7289853334247138,0.5967291481049962,0.47716057843876364,0.6300459187170173
EOS-5-00836,Fc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccsn5)nc4Cl)n23)c1F,KYFAAUFCTLBPJN-UHFFFAOYSA-N,5,1,0.512,58,698,471.88,4.258,5,0.342,0.56,1.0,0.7173171818244123,0.8471574943458297,0.6451494071688026,0.6813874991433075,0.7227528956205881
EOS-5-00837,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ccc(C#N)nn1,WOLIPWVXNVFXPC-UHFFFAOYSA-N,5,1,0.516,72,925,484.907,3.798,5,0.339,0.59,1.0,0.9329809471592078,0.9067404564457542,0.5870656569117949,0.52540093208142,0.7380469981495442
EOS-5-00838,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)cnn3)n12,KGKYVIZBQGNDOS-UHFFFAOYSA-N,5,1,0.462,58,28,454.878,3.514,5,0.359,0.54,1.0,0.6780292646151738,0.7818946610924542,0.27833938729353713,0.36370879309163184,0.5254930265231992
EOS-5-00839,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)nc3Cl)n12,MDJGXYQVHZWIDN-UHFFFAOYSA-N,5,1,0.512,65,262,438.81,3.045,5,0.368,0.62,1.0,0.7445771365910493,0.6861849770406415,0.3631862106778151,0.4238914399287232,0.5544599410595572
EOS-5-00841,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4ncsn4)nc3F)n12,GTKSFGMDFWZBTP-UHFFFAOYSA-N,5,1,0.512,58,262,438.423,3.0,5,0.373,0.7,1.0,0.7265865944760469,0.719878692344596,0.28926221643478855,0.31580254951682546,0.5128825131930642
EOS-5-00842,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5ncsn5)c(F)c4)n23)ccc1F,STXSBMQBPHGOEZ-UHFFFAOYSA-N,5,1,0.529,4,702,448.418,3.434,5,0.402,0.69,1.0,0.6809934206017408,0.7733620039750532,0.6507179082996367,0.6288979507915838,0.6834928209170037
EOS-5-00844,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncncn1,AVEDFCDDUSYHGP-UHFFFAOYSA-N,5,1,0.61,35,234,414.404,2.799,5,0.418,0.68,1.0,0.9466537591666095,0.901874443149887,0.46523541909396204,0.43358063189637447,0.6868360633267082
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EOS-5-00847,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)ccc1-c1cnco1,RWRUPDBDYBSFIF-UHFFFAOYSA-N,5,1,0.505,15,103,433.403,3.006,5,0.382,0.6,1.0,0.8048968542252073,0.6188403810568158,0.3967342882598862,0.29690391337125627,0.5293438592282914
EOS-5-00848,N#Cc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ccc1Cl,RLKJHCCBAXGWKE-UHFFFAOYSA-N,5,1,0.575,90,400,411.252,3.986,4,0.494,0.78,1.0,0.9583818792406278,0.9749931464601467,0.8737235282023165,0.9130714138852717,0.9300424919470907
EOS-5-00849,CCCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,OSVWEXOCKDTWIV-UHFFFAOYSA-N,5,1,0.526,65,981,472.94,4.266,5,0.308,0.65,1.0,0.6989839627167432,0.8767990542115003,0.2631930642176684,0.26736515660338567,0.5265853094373244
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EOS-5-00855,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(F)c(-c4ncon4)c3)n12,AHYYEVSGYIJYRA-UHFFFAOYSA-N,5,1,0.58,35,161,421.367,3.136,5,0.412,0.7,1.0,0.8740576382701666,0.747472757179083,0.6451579740936193,0.637918922623535,0.726151823041601
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EOS-5-00863,Fc1c(-c2ncsn2)ccc(-c2nnc3cncc(OCCc4cnccn4)n23)c1Cl,NNGHKEFCKOMWDQ-UHFFFAOYSA-N,5,1,0.525,20,658,454.878,3.514,5,0.384,0.55,1.0,0.6718268110479062,0.7819117949420876,0.3705537660201494,0.4427815091494757,0.5667684702899047
EOS-5-00864,COc1ccc(-c2nnc3cncc(OCCc4ccncc4Cl)n23)cc1-c1nccs1,WZIMBXRPXKJYCY-UHFFFAOYSA-N,5,1,0.534,35,982,464.938,4.593,5,0.348,0.72,1.0,0.7355390309094647,0.7152953875676787,0.5679185799465424,0.5054656980330341,0.63105467411418
EOS-5-00865,N#Cc1nccc(CCOc2cncc3nnc(-c4ccc(-c5ccsn5)nc4Cl)n23)c1F,LLICSQYXWRQQPR-UHFFFAOYSA-N,5,1,0.505,58,28,478.9,3.99,5,0.336,0.59,1.0,0.7965612363785896,0.8819649098759509,0.5479576451237064,0.5746778836268933,0.7002904187512851
EOS-5-00866,Fc1cnncc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,IMSJODGTZJXUHR-UHFFFAOYSA-N,5,1,0.518,58,271,438.423,3.0,5,0.373,0.61,1.0,0.7050664793365773,0.7474813241038997,0.38569152217120145,0.3985676101706531,0.5592017339455828
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EOS-5-00869,Cc1scnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cn1,RTXHMJYZPPWQGO-UHFFFAOYSA-N,5,1,0.523,65,904,433.472,3.774,5,0.402,0.73,1.0,0.7141474196422453,0.7691385100404359,0.3481769583990131,0.3187667055033925,0.5375573983962716
EOS-5-00870,Fc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1nccs1,QZPGVLKCEKOGLZ-UHFFFAOYSA-N,5,1,0.627,11,275,418.457,4.07,5,0.414,0.71,1.0,0.8740662051949832,0.8626636282639983,0.4791652388458639,0.48010760057569735,0.6740006682201357
EOS-5-00871,COCc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)c(Cl)n4)n23)cn1,QHCVGIDGDQGPLY-UHFFFAOYSA-N,5,1,0.557,90,385,431.283,3.656,4,0.413,0.73,1.0,0.7205811801795627,0.7819203618669043,0.5644832430950586,0.5841443355493112,0.6627822801727092
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EOS-5-00873,CNC(=O)c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,FVPDGTUITZYNRR-UHFFFAOYSA-N,5,1,0.563,90,636,443.294,3.474,4,0.491,0.79,1.0,0.7767887739017202,0.594904393119046,0.5410698375711055,0.5684068946610924,0.620292474813241
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EOS-5-00876,Cc1csc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(F)c2)n1,OQHBUUJUMRPHEC-UHFFFAOYSA-N,5,1,0.517,11,684,433.472,3.774,5,0.402,0.73,1.0,0.7110804605578781,0.7646922760605853,0.23134980467411417,0.21994722774312933,0.48176744225892676
EOS-5-00877,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1ncsn1,KLUDBDDSGJHAJO-UHFFFAOYSA-N,5,1,0.533,15,467,449.471,3.474,5,0.372,0.62,1.0,0.7327119457199643,0.6568860941676375,0.3185525323829758,0.2612312384346515,0.49234545267630736
EOS-5-00879,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)c(F)n2)s1,LTXLJMWLMZCRLT-UHFFFAOYSA-N,5,1,0.484,58,28,451.462,3.913,5,0.362,0.55,1.0,0.6780378315399904,0.7603060105544514,0.2892707833596052,0.30646460146665755,0.5085198067301762
EOS-5-00880,Clc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,DYFRUABVHZNVFF-UHFFFAOYSA-N,5,1,0.61,58,28,435.9,3.98,5,0.372,0.64,1.0,0.6749109039819067,0.8069100815571243,0.2066256596532109,0.26123980535946817,0.4874216126379275
EOS-5-00881,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ns3)n12,DVQWAZDHVNNZRB-UHFFFAOYSA-N,5,1,0.518,58,28,459.919,4.18,5,0.352,0.54,1.0,0.6749194709067233,0.7819289287917209,0.23841751764786512,0.32806181892947706,0.5058319340689466
EOS-5-00882,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1F,YUJQIKGHPXEYIE-UHFFFAOYSA-N,5,1,0.556,37,626,464.892,3.879,5,0.337,0.68,1.0,0.7297392228085806,0.7153039544924954,0.4107583441847714,0.46483277362757863,0.5801585737783566
EOS-5-00883,Fc1cc(F)c(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)cc1F,INLAADWNQMTCPW-UHFFFAOYSA-N,5,1,0.488,59,445,440.41,4.306,5,0.379,0.7,0.999,0.7081334384209444,0.715312521417312,0.8944554862586526,0.8814937290110342,0.7998487937769858
EOS-5-00884,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5ncccc5F)n34)c2)c1,ALOINPKJGQEGEJ-UHFFFAOYSA-N,5,1,0.464,87,699,431.406,3.543,5,0.406,0.66,1.0,0.7652919607977521,0.6861935439654582,0.6357172229456515,0.6579226920704544,0.686281354944829
EOS-5-00885,COc1ccc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)cc1-c1nccs1,OIDNDTQDFZUREW-UHFFFAOYSA-N,5,1,0.474,4,61,469.889,4.085,5,0.343,0.76,1.0,0.7477211979987664,0.7384003837982318,0.4583818792406278,0.39857617709546983,0.5857699095332739
EOS-5-00886,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ncccn5)n34)c(Cl)c2)cs1,FPKWHCFOFHBYBT-UHFFFAOYSA-N,5,1,0.517,11,684,449.927,4.288,5,0.382,0.79,1.0,0.6561236378589541,0.7862552258241382,0.26709101500925225,0.3031063669385238,0.5031440614077171
EOS-5-00887,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)ccc1-c1cscn1,LESHWBUTNHCIRC-UHFFFAOYSA-N,5,1,0.484,15,777,465.926,3.988,5,0.355,0.61,1.0,0.7173257487492289,0.7384089507230485,0.3705623329449661,0.35380542800356385,0.5450256151052019
EOS-5-00888,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)nc3F)n12,WANPAQZLIHMIGE-UHFFFAOYSA-N,5,1,0.5,87,143,437.435,3.605,5,0.375,0.56,1.0,0.6780463984648071,0.7819374957165376,0.42195531492015625,0.4427900760742924,0.5811823212939483
EOS-5-00889,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1-c1cscn1,WPBRMYLWCJULEU-UHFFFAOYSA-N,5,1,0.505,72,777,465.926,3.988,5,0.355,0.66,1.0,0.7173343156740456,0.7384175176478651,0.34818552532382974,0.3158111164416421,0.5299371187718457
EOS-5-00890,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)ccc1F,UBKXQGPYEXSWBG-UHFFFAOYSA-N,5,1,0.494,24,702,448.418,3.434,5,0.376,0.65,1.0,0.67492803783154,0.7563652251387842,0.5776848742375437,0.5424576793914057,0.6378589541498184
EOS-5-00891,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ncsn1,VUZWCEBPQPNHBT-UHFFFAOYSA-N,5,1,0.553,15,604,465.926,3.988,5,0.332,0.69,1.0,0.7415872798300323,0.6911880611335754,0.4219638818449729,0.37006545130559937,0.556201168528545
EOS-5-00892,Cc1nc(-c2ncco2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,AUAIMANALVGCFZ-UHFFFAOYSA-N,5,1,0.512,58,578,433.859,3.82,5,0.372,0.64,1.0,0.7383746830237817,0.7011856623946269,0.3185610993077925,0.31268418888355837,0.5177014084024399
EOS-5-00893,Clc1cnc(-c2cc(-c3nnc4cncc(OCCc5cccnc5)n34)cnn2)nc1,GFENTPZNRLDKES-UHFFFAOYSA-N,5,1,0.506,65,65,431.847,2.708,5,0.4,0.61,1.0,0.7205897471043794,0.7563737920636009,0.18917483380165856,0.2404735796038654,0.4766529881433761
EOS-5-00894,Fc1cnccc1CCOc1cncc2nnc(-c3cnc(F)c(-c4nncs4)c3)n12,IXBPIOGJBILCPW-UHFFFAOYSA-N,5,1,0.495,65,904,438.423,3.0,5,0.373,0.58,1.0,0.7018367486806936,0.7290024672743473,0.42911726406689055,0.44279864299910904,0.5756887807552601
EOS-5-00896,OCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cc2F)s1,YCOQLBKJFOASDS-UHFFFAOYSA-N,5,1,0.586,72,619,449.471,2.958,5,0.404,0.72,1.0,0.7141559865670619,0.6715269686793228,0.26709958193406896,0.28194606264135424,0.483682149955452
EOS-5-00897,Cc1cc(F)cc(COc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)c1F,AJZSWAOLRCZNHJ-UHFFFAOYSA-N,5,1,0.518,97,183,436.447,4.475,5,0.404,0.66,1.0,0.7415958467548489,0.6666438215338222,0.827033787951477,0.7795044890686039,0.753694486327188
EOS-5-00898,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,FEFPJJDGGDHLCP-UHFFFAOYSA-N,5,1,0.617,72,386,419.445,3.465,5,0.416,0.68,1.0,0.8428311973134124,0.8564012062230142,0.4404170379000754,0.4428072099239257,0.6456141628401069
EOS-5-00899,COc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3)n12,HTBFTQCSEULAMA-UHFFFAOYSA-N,5,1,0.506,58,710,449.471,3.474,5,0.348,0.63,1.0,0.7110890274826948,0.6811647590980742,0.25292132136248374,0.18560242615310807,0.4576943835240902
EOS-5-00900,COc1ccc(-c2nnc3cncc(OCCc4cc(Cl)ncn4)n23)cc1-c1nccs1,DFPFWUTWEWPYQA-UHFFFAOYSA-N,5,1,0.538,15,777,465.926,3.988,5,0.332,0.71,1.0,0.720598314029196,0.7242992255499966,0.34410766911109586,0.29389692276060586,0.5207255328627236
EOS-5-00901,Fc1ccc(Oc2ccc(CCOc3cncc4nnc(-c5ccc(Cl)cn5)n34)nn2)nc1,LJNCYMXUVJAIJK-UHFFFAOYSA-N,5,1,0.413,54,915,464.848,3.578,5,0.356,0.62,1.0,0.6780549653896237,0.7862637927489549,0.3784182030018505,0.40787985744637106,0.5626542046467
EOS-5-00902,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)n4)n23)ccc1-c1nccs1,BPMSIBSNLOGNEK-UHFFFAOYSA-N,5,1,0.527,11,777,482.928,4.732,5,0.31,0.67,1.0,0.8963573435679528,0.865276540333082,0.6152851072578988,0.5586834349941745,0.7339006065382769
EOS-5-00903,Fc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1nncs1,UZXUOWGWTPTWJS-UHFFFAOYSA-N,5,1,0.612,72,275,419.445,3.465,5,0.416,0.68,1.0,0.8450500308409293,0.8502929888287301,0.3592197244876979,0.38286443698170103,0.6093567952847646
EOS-5-00904,Clc1ccc(-c2nnc3cncc(OCCc4ccc(Oc5ccccn5)nn4)n23)cn1,GLGMFJMNJMVYBK-UHFFFAOYSA-N,5,1,0.479,72,132,446.858,3.439,5,0.347,0.63,1.0,0.607283599479131,0.8596737715029813,0.2671081488588856,0.270140840243986,0.501051590021246
EOS-5-00905,COc1cc(-c2nnc3cncc(OCCc4ncc(F)cn4)n23)ccc1-c1ccsn1,ZMZRWIGCGIHFFA-UHFFFAOYSA-N,5,1,0.474,35,777,449.471,3.474,5,0.372,0.63,1.0,0.7297477897333973,0.6373792063600849,0.2892793502844219,0.23457096840518127,0.4727443286957714
EOS-5-00906,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4ncncc4F)n23)c(F)c1,FUPUYURKMPEULE-UHFFFAOYSA-N,5,1,0.5,26,563,434.41,2.882,5,0.405,0.71,1.0,0.7564337605373175,0.6522513878418204,0.5276883010074703,0.5086354602152011,0.6112522274004523
EOS-5-00908,Fc1ccc(COc2cncc3nnc(-c4ccnc(Cl)c4F)n23)nc1-c1cncnc1,ZZUJVNXPNFFTKT-UHFFFAOYSA-N,5,1,0.473,73,817,452.812,3.549,5,0.373,0.54,1.0,0.6593705023644713,0.7691470769652525,0.7206754163525461,0.7390686039339319,0.7220653999040504
EOS-5-00910,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,PMGHGCXKFZZQER-UHFFFAOYSA-N,5,1,0.523,37,832,453.89,4.119,5,0.382,0.66,1.0,0.6626687684188883,0.760314577479268,0.5870742238366116,0.657931258995271,0.6669972071825097
EOS-5-00911,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1cscn1,KDDHUMMRYBAIHK-UHFFFAOYSA-N,5,1,0.523,1,61,434.456,4.037,5,0.373,0.73,1.0,0.7265951614008636,0.7011942293194435,0.6030943732437805,0.480116167500514,0.6277499828661504
EOS-5-00912,N#Cc1nc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)ccc1F,VUGMYMQEUUNAOM-UHFFFAOYSA-N,5,1,0.511,24,702,464.873,3.948,5,0.359,0.63,0.961,0.6927986429991091,0.7519104242341169,0.6182149955451991,0.6231752450140498,0.6715248269481188
EOS-5-00914,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ccsn4)nc3F)n12,AOKASFBOFGZBPA-UHFFFAOYSA-N,5,1,0.524,58,28,437.435,3.605,5,0.375,0.61,1.0,0.7050750462613941,0.7153210883421287,0.5208004934548695,0.5254094990062367,0.6166515317661572
EOS-5-00915,Cc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)cn1,QXDHXIDPXMGZQP-UHFFFAOYSA-N,5,1,0.511,87,699,428.431,3.107,5,0.406,0.7,1.0,0.7141645534918786,0.802917894592557,0.2892879172092386,0.2582585155232678,0.5161572202042355
EOS-5-00916,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,FLGCZSMBICYJAV-UHFFFAOYSA-N,5,1,0.457,58,28,438.423,3.0,5,0.373,0.61,1.0,0.686947433349325,0.7384260845726818,0.2168117332602289,0.24904907134534987,0.47280858063189635
EOS-5-00917,COc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4cnc(C)cn4)c(Cl)c3)n12,SUYRGKXJQFGVBR-UHFFFAOYSA-N,5,1,0.527,15,796,473.924,4.235,5,0.346,0.73,1.0,0.7506339524364334,0.7862723596737715,0.44758755397162636,0.3734836543074498,0.5894943800973202
EOS-5-00919,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)ccc1F,GMPRGGFHPHRCSE-UHFFFAOYSA-N,5,1,0.512,24,786,430.428,3.295,5,0.417,0.68,1.0,0.7081420053457611,0.7774484271126036,0.4291258309917072,0.38287300390651774,0.5743973168391474
EOS-5-00920,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncno5)nc4Cl)n23)cn1,FLWHTEPXAVJINP-UHFFFAOYSA-N,5,1,0.523,58,271,438.81,3.045,5,0.368,0.55,1.0,0.7050836131862107,0.7012027962442602,0.37057089986978275,0.4078884243711877,0.5461864334178603
EOS-5-00921,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cncn1C,QWHPTEIWKKSRPM-UHFFFAOYSA-N,5,1,0.5,15,771,445.458,3.356,5,0.355,0.72,1.0,0.7937941196628059,0.5283308203687205,0.580666164073744,0.42390000685353985,0.5816727777397026
EOS-5-00922,Fc1cc(F)c(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c(F)c1,NYVZDDWJNLSEJH-UHFFFAOYSA-N,5,1,0.471,59,109,440.41,4.306,5,0.405,0.68,1.0,0.7081505722705778,0.6911966280583921,0.8696542389143993,0.8636402576930985,0.7831604242341169
EOS-5-00923,Cc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3Cl)n12,DHZUUWHPYUNPGX-UHFFFAOYSA-N,5,1,0.506,58,28,449.927,4.288,5,0.357,0.62,1.0,0.6472654375985196,0.7819460626413542,0.29648413405523955,0.3064731683914742,0.508042200671647
EOS-5-00925,CCc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccccn1,VOXDHBXZVVXNKR-UHFFFAOYSA-N,5,1,0.457,49,578,441.47,3.966,5,0.353,0.68,0.999,0.7050921801110274,0.6912051949832089,0.3557072853128641,0.33149715578096084,0.5208754540470153
EOS-5-00926,CCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cn2)s1,LRTQRQUGRSDAKW-UHFFFAOYSA-N,5,1,0.5,58,981,447.499,4.028,5,0.348,0.7,0.999,0.6354259475018847,0.7986087314097732,0.23135837159893086,0.20830477691727778,0.46842445685696665
EOS-5-00927,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncsn5)nc4Cl)n23)ccn1,KNDNTRAUFSYQLT-UHFFFAOYSA-N,5,1,0.529,58,262,471.333,4.028,5,0.342,0.53,1.0,0.7235282023164965,0.7733705708998698,0.3221249400315263,0.4461140429031595,0.566284439037763
EOS-5-00928,COc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,ULSLCVZFEAZZOG-UHFFFAOYSA-N,5,1,0.5,58,710,449.471,3.474,5,0.348,0.69,1.0,0.6899201562607087,0.6959341374820095,0.2134877664313618,0.15873654992803782,0.43951965252552944
EOS-5-00930,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,HPICRDGLAUVLMA-UHFFFAOYSA-N,5,1,0.506,58,28,437.435,3.605,5,0.375,0.59,1.0,0.6749366047563566,0.7563823589884175,0.40399904050442054,0.43025666506750737,0.5663936673291755
EOS-5-00931,Fc1nnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)cc1Cl,QZQYEIRQDYHWIC-UHFFFAOYSA-N,5,1,0.462,58,28,472.868,3.653,5,0.345,0.54,1.0,0.7110975944075115,0.822313412377493,0.38939243369200194,0.46818244123089575,0.5977464704269756
EOS-5-00932,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-c1cnnnc1,WGSKMIGUOOVZJG-UHFFFAOYSA-N,5,1,0.462,55,390,435.81,2.805,5,0.384,0.6,0.998,0.6323846891919677,0.8366458775957782,0.4997601261051333,0.5454818038516894,0.6285681241861422
EOS-5-00933,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccc(C#N)cn1,ZCVXULQOAHANIG-UHFFFAOYSA-N,5,1,0.578,11,777,449.474,3.75,5,0.369,0.71,1.0,0.7355475978342814,0.6090740867658145,0.6121324789253649,0.4862586525940648,0.6107532040298814
EOS-5-00934,Fc1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc(-c2nccs2)c1F,QFAQOQYZPJZENK-UHFFFAOYSA-N,5,1,0.523,4,799,457.853,4.215,5,0.39,0.65,1.0,0.6532194503461037,0.764700842985402,0.697339113151943,0.7390771708587486,0.7135841443355493
EOS-5-00935,COc1cc(-c2nnc3cncc(OCCc4cc(F)cnc4Cl)n23)ccc1-c1ccsn1,LDUFWHCHARZCDH-UHFFFAOYSA-N,5,1,0.505,35,777,482.928,4.732,5,0.31,0.63,1.0,0.9011548214652868,0.8366544445205949,0.6973476800767596,0.6551298745802207,0.7725717051607155
EOS-5-00936,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1F,AYAZPOANSLOKMF-UHFFFAOYSA-N,5,1,0.517,4,31,435.85,3.958,5,0.389,0.7,1.0,0.6869560002741416,0.7384346514974984,0.670079158385306,0.6844287574532246,0.6949746419025427
EOS-5-00940,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)c(F)c3)n12,YUWOQJOCJXWXED-UHFFFAOYSA-N,5,1,0.585,35,325,421.367,3.136,5,0.412,0.71,1.0,0.845058597765746,0.7474898910287163,0.6478051538619697,0.6320420121993009,0.7180989137139332
EOS-5-00941,COc1cc(-c2nnc3cncc(OCCc4ccnc(C)c4Cl)n23)ccc1-c1cnco1,SVFVAOJVUVFSAQ-UHFFFAOYSA-N,5,1,0.539,35,103,462.897,4.433,5,0.35,0.53,1.0,0.75064251936125,0.6090826536906312,0.632658830786101,0.5187444314988692,0.6277821088342128
EOS-5-00942,Clc1nc(-c2ccsn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,NPHIUZUKKDJOLV-UHFFFAOYSA-N,5,1,0.562,58,28,435.9,3.98,5,0.372,0.57,1.0,0.6718353779727229,0.7647094099102186,0.32213350695634296,0.3828815708313344,0.5353899664176547
EOS-5-00943,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)cc3Cl)n12,BPSLTTVWQGJLDV-UHFFFAOYSA-N,5,1,0.571,37,832,453.89,4.119,5,0.382,0.7,1.0,0.65009252278802,0.7563909259132342,0.6700877253101227,0.7255414296484134,0.7005281509149476
EOS-5-00944,Fc1cnc(-c2nccs2)cc1-c1nnc2cncc(OCc3cccc(Cl)n3)n12,QICBZRMNFGEXLB-UHFFFAOYSA-N,5,1,0.523,24,912,439.863,4.076,5,0.381,0.63,1.0,0.6749451716811733,0.7290110341991639,0.47230313206771296,0.532442944280721,0.6021755705571927
EOS-5-00945,COc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,MHVLLNHCTQCLGD-UHFFFAOYSA-N,5,1,0.511,58,710,449.471,3.474,5,0.372,0.68,1.0,0.7018453156055102,0.6568946610924542,0.2598690973888013,0.1965081214447262,0.453779298882873
EOS-5-00946,Fc1cc(-c2nncs2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,LVPMOQUSKSSVOR-UHFFFAOYSA-N,5,1,0.547,37,161,437.435,3.605,5,0.401,0.73,1.0,0.6990010965663765,0.7012113631690768,0.6266962511137002,0.6379274895483518,0.6662090500993763
EOS-5-00947,Fc1ccnc(-c2cc(-c3nnc4cncc(OCCc5ncncc5F)n34)ccn2)c1,ZDGRAISUFRYRBE-UHFFFAOYSA-N,5,1,0.478,75,583,432.394,2.938,5,0.403,0.64,1.0,0.7682561167843192,0.6230724419162498,0.45839044616544444,0.4832345281337811,0.5832383832499486
EOS-5-00948,Clc1nccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)n1,DUWYWLDYPJMNRS-UHFFFAOYSA-N,5,1,0.517,58,579,436.888,3.375,5,0.373,0.72,1.0,0.6472740045233363,0.7942653005277226,0.1926016037283257,0.2145243643341786,0.4621663182783908
EOS-5-00949,Fc1cccc(CCCOc2cncc3nnc(-c4ccc(-c5ccsn5)nc4Cl)n23)n1,DSXMZLXBPFPKJW-UHFFFAOYSA-N,5,1,0.433,58,28,467.917,4.509,5,0.257,0.5,1.0,0.67495373860599,0.7904958536083887,0.3039202247961072,0.40441881982043726,0.5434471592077308
EOS-5-00950,Cn1cncc1-c1c(F)ccc(-c2nnc3cncc(OCCc4ccccn4)n23)c1F,QAKBGXKQDLWTNE-UHFFFAOYSA-N,5,1,0.568,26,563,433.422,3.487,5,0.408,0.5,1.0,0.7625248440819683,0.6188489479816325,0.6507264752244535,0.6175039407854157,0.6624010520183676
EOS-5-00951,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)ccc1-c1nccs1,DUHYWJCILIPKTL-UHFFFAOYSA-N,5,1,0.484,15,777,465.926,3.988,5,0.355,0.61,1.0,0.6899287231855253,0.7384432184223151,0.3109708039202248,0.2939054896854225,0.5083120588033719
EOS-5-00952,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)nc4F)n23)c1F,SLWKVTNOQPMIGM-UHFFFAOYSA-N,5,1,0.463,87,143,455.425,3.744,5,0.36,0.49,1.0,0.6657100267288054,0.7243077924748133,0.6326673977109177,0.6523456240148037,0.668757710232335
EOS-5-00953,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)c(F)n1,CPWJBLWNXPSSHJ-UHFFFAOYSA-N,5,1,0.494,58,271,434.41,2.882,5,0.379,0.67,1.0,0.7535981084230005,0.6188575149064491,0.47551572887396343,0.430265231992324,0.5695591460489342
EOS-5-00954,COc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)ccc1-c1cscn1,LSFVKWUCRMXLJQ-UHFFFAOYSA-N,5,1,0.533,11,777,482.928,4.732,5,0.331,0.68,1.0,0.894781029401686,0.8366630114454116,0.715081214447262,0.6579398259200877,0.7761162703036117
EOS-5-00955,Cn1ccnc1-c1cc(F)cc(-c2nnc3cncc(OCCc4ccnc(Cl)n4)n23)c1,HQJKLMRWQSYWIA-UHFFFAOYSA-N,5,1,0.494,37,353,450.865,3.396,5,0.366,0.63,1.0,0.7111061613323282,0.632504626139401,0.42913439791652386,0.4395603454184086,0.5530763827016654
EOS-5-00956,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncsn4)nc3F)n12,PUGAQMCKZZPIFK-UHFFFAOYSA-N,5,1,0.512,65,262,438.423,3.0,5,0.373,0.68,1.0,0.6928072099239257,0.6959427044068262,0.34032965526694536,0.370074018230416,0.5247883969570283
EOS-5-00957,N#Cc1nc(COc2cncc3nnc(-c4ccc(-c5cccnn5)nc4)n23)ccc1F,QLNMTXTWRIYFRU-UHFFFAOYSA-N,5,1,0.467,4,617,425.387,2.628,5,0.417,0.7,0.998,0.747729764923583,0.7774569940374203,0.4723116989925296,0.42722397368240694,0.606180607908985
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EOS-5-00959,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5ncsn5)nc4F)n23)c1F,IPQYZKCLGJFVMC-UHFFFAOYSA-N,5,1,0.453,73,262,456.413,3.139,5,0.359,0.6,1.0,0.6718439448975396,0.7106863820163114,0.3894010006168186,0.44282434377355906,0.5536889178260571
EOS-5-00961,Cc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)s1,VKUFHPGPMQOJQP-UHFFFAOYSA-N,5,1,0.533,65,904,434.46,3.169,5,0.401,0.68,1.0,0.6810105544513742,0.7431036255225825,0.18273250633952437,0.18561099307792475,0.44811441984785144
EOS-5-00962,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1cscn1,YZVBYCLGMXOJDU-UHFFFAOYSA-N,5,1,0.511,35,777,482.928,4.732,5,0.31,0.63,1.0,0.8855801521485848,0.8503015557535467,0.7459906791857994,0.6813960660681242,0.7908171132890138
EOS-5-00963,N#Cc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,XOBBPKFLBGLENG-UHFFFAOYSA-N,5,1,0.489,72,563,460.91,3.851,5,0.375,0.64,1.0,0.6532280172709204,0.7563994928380509,0.5513501473511069,0.5962322664656295,0.639302480981427
EOS-5-00964,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)c(F)c2)nn1,GGMRPIFASQQHAR-UHFFFAOYSA-N,5,1,0.576,37,669,450.865,3.396,5,0.366,0.71,1.0,0.6657185936536221,0.7060773764649442,0.5776934411623603,0.5933966143513124,0.6357215064080597
EOS-5-00965,Fc1cnnc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c1,DEQDQRYNGQIQFZ-UHFFFAOYSA-N,5,1,0.462,58,28,438.423,3.0,5,0.373,0.55,1.0,0.6593790692892879,0.7431121924473991,0.22049551093139608,0.2642639298197519,0.4718126756219587
EOS-5-00966,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ncn3)n12,FHIGZSGOPUYRPU-UHFFFAOYSA-N,5,1,0.478,58,143,454.878,3.514,5,0.283,0.58,1.0,0.6593876362141046,0.7243163593996299,0.36319477760263175,0.41755191556438903,0.5411126721951889
EOS-5-00967,COc1cc(-c2nnc3cncc(OCCc4ccnc(C#N)c4)n23)ccc1-c1cscn1,OLUYTZMBOPJXKD-UHFFFAOYSA-N,5,1,0.522,15,777,455.503,3.812,5,0.364,0.71,1.0,0.7477383318483997,0.5654598725241587,0.5713367829483929,0.42099581934068947,0.5763827016654102
EOS-5-00969,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,CLJRAEYWOWAHNK-UHFFFAOYSA-N,5,1,0.457,58,28,438.423,3.0,5,0.373,0.6,1.0,0.6810191213761908,0.7012199300938935,0.27462990884791993,0.30311493386334043,0.4899959735453362
EOS-5-00970,Clc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,KEKMFZAXOXDUJT-UHFFFAOYSA-N,5,1,0.576,47,164,418.848,3.246,5,0.451,0.73,1.0,0.8404752929888287,0.8402268521691454,0.447596120896443,0.48324309505859775,0.6528853402782537
EOS-5-00971,Fc1cnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)nc1,UAIFTDHVZOWAGL-UHFFFAOYSA-N,5,1,0.482,58,28,438.423,3.0,5,0.373,0.59,1.0,0.6838976081145912,0.6959512713316428,0.21682030018504558,0.24616201768213283,0.4607077993283531
EOS-5-00972,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,COTCHUPTFXSUIX-UHFFFAOYSA-N,5,1,0.529,35,710,449.471,3.474,5,0.372,0.61,1.0,0.689937290110342,0.652259954766637,0.33350181618806113,0.2553457610856007,0.4827612055376602
EOS-5-00974,COc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,HLMHRVQUKSTRLQ-UHFFFAOYSA-N,5,1,0.5,58,710,449.471,3.474,5,0.348,0.68,1.0,0.6928157768487424,0.6471197998766363,0.2705092180111027,0.20246213419231032,0.4532267322321979
EOS-5-00975,Fc1cc(COCc2cncc3nnc(-c4ccc(-c5nccs5)cc4)n23)ccc1Cl,FVNHIFRBKROTCA-UHFFFAOYSA-N,5,1,0.7,14,951,451.914,5.424,5,0.344,0.79,1.0,0.6472825714481529,0.7338599136453978,0.8944640531834692,0.8992786649304366,0.7937213008018642
EOS-5-00976,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)cnn1,DFBOGARQBKTUPI-UHFFFAOYSA-N,5,1,0.531,75,583,436.888,3.375,5,0.399,0.64,1.0,0.6959684051812761,0.6762901788773902,0.26320163114248507,0.30648173531629086,0.4854854876293605
EOS-5-00977,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,SPUVSNJUKRWSQC-UHFFFAOYSA-N,5,1,0.484,87,143,454.878,3.514,5,0.283,0.56,1.0,0.653236584195737,0.7243249263244466,0.3148773216366253,0.35700089096018095,0.5123599307792475
EOS-5-00979,N#Cc1nc(COc2cncc3nnc(-c4cc(F)nc(-c5cscn5)c4)n23)ccc1F,CAYYNMLNAOQWIA-UHFFFAOYSA-N,5,1,0.511,24,702,448.418,3.434,5,0.376,0.62,0.961,0.6749623055308067,0.6762987458022068,0.6211191830580495,0.5841529024741279,0.6391332842162977
EOS-5-00980,N#Cc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5nccnc5F)c4)n23)n1,GNOIIFXKRAUSQA-UHFFFAOYSA-N,5,1,0.462,75,486,443.377,2.767,5,0.403,0.64,0.999,0.6687170173394559,0.6959598382564595,0.5513587142759235,0.5219827290795696,0.609504574737852
EOS-5-00981,Fc1cncnc1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)cn4)c3)n12,CDZSWUSPQZFNHT-UHFFFAOYSA-N,5,1,0.419,2,422,434.822,3.41,5,0.414,0.65,1.0,0.6928243437735591,0.7012284970187102,0.5870827907614283,0.6320505791241177,0.6532965526694537
EOS-5-00983,CCn1ccnc1-c1cc(-c2nnc3cncc(OCCCc4ccncc4)n23)ccc1F,HPOMYLCLMQILCI-UHFFFAOYSA-N,5,1,0.495,35,393,443.486,4.22,5,0.334,0.73,1.0,0.7235367692413132,0.5949129600438626,0.40766568432595435,0.3895123706394353,0.5289069460626413
EOS-5-00984,Cc1nc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)c5)n34)ccn2)cs1,ZTJCLAQYXBTORZ-UHFFFAOYSA-N,5,1,0.58,24,912,434.912,4.851,5,0.393,0.8,1.0,0.7018538825303269,0.6811733260228908,0.577702008087177,0.6020749091905969,0.6407010314577479
EOS-5-00985,Fc1ccnc(Cl)c1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,CFVRNMJREBTIMT-UHFFFAOYSA-N,5,1,0.438,2,422,439.863,4.076,5,0.381,0.68,1.0,0.6928329106983757,0.661854910561305,0.60006168185868,0.6409858817079022,0.6489338462065657
EOS-5-00986,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)nc4Cl)n23)nc1,GADYVRARYZVNGO-UHFFFAOYSA-N,5,1,0.534,87,143,470.345,4.633,5,0.334,0.58,1.0,0.6839061750394079,0.777465560962237,0.49976869302995,0.6084144335549311,0.6423887156466315
EOS-5-00988,OCCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nc1,AYBJJVRUXPKZSN-UHFFFAOYSA-N,5,1,0.51,65,578,474.912,2.848,5,0.338,0.68,1.0,0.7111147282571448,0.8182869577136591,0.3185696662326091,0.31581968336645877,0.5409477588924679
EOS-5-00990,COc1ccc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)cc1-c1nccs1,OTUOYXSYQXOAJA-UHFFFAOYSA-N,5,1,0.533,72,132,449.471,3.474,5,0.372,0.6,1.0,0.6718525118223563,0.6763073127270235,0.28570694263587143,0.219955794667946,0.4634556404632993
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EOS-5-00992,Fc1ccc(-c2nnc3cncc(OCCc4ncncc4F)n23)cc1-c1ncon1,MXSFOKJLGLSIPT-UHFFFAOYSA-N,5,1,0.512,73,325,422.355,2.531,5,0.407,0.71,1.0,0.8307346994722774,0.7012370639435268,0.3705794667945994,0.4015574669316702,0.5760271742855185
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EOS-5-00998,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1Cl,ASLKXDJYCWVTNB-UHFFFAOYSA-N,5,1,0.584,15,796,445.914,4.345,5,0.37,0.72,1.0,0.6687255842642725,0.6811818929477075,0.3929734082653691,0.40156603385648687,0.536111729833459
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EOS-5-01002,COc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccc1-c1cscn1,JAJZXQLFAIPYOY-UHFFFAOYSA-N,5,1,0.523,1,61,450.911,4.551,5,0.35,0.76,1.0,0.6718610787471729,0.6715355356041396,0.6000702487834967,0.5289390720307039,0.6181014837913783
EOS-5-01003,COc1cc(-c2nnc3cncc(OCCc4cccnc4C#N)n23)ccc1-c1cscn1,NEBFDYXRJZXRBN-UHFFFAOYSA-N,5,1,0.511,15,777,455.503,3.812,5,0.364,0.66,1.0,0.7266037283256802,0.569991775752176,0.4791738057706806,0.35066993352066345,0.5316098108423001
EOS-5-01004,Fc1nc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,ZZAVYIJLWDEQHE-UHFFFAOYSA-N,5,1,0.473,65,262,455.866,2.909,5,0.281,0.57,1.0,0.6441299431156192,0.7243334932492632,0.12681618806113357,0.1773439106298403,0.41815588376396406
EOS-5-01005,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4Cl)n23)ccn1,KNOMTNFIHSIJMT-UHFFFAOYSA-N,5,1,0.523,58,271,454.878,3.514,5,0.359,0.51,1.0,0.6384586388869852,0.7338684805702145,0.38940956754163525,0.4587588239325612,0.555123877732849
EOS-5-01007,Cn1nncc1-c1cc(-c2nnc3cncc(OCCc4cc(Cl)nc(F)n4)n23)ccc1F,RLCYRNRASXBPOS-UHFFFAOYSA-N,5,1,0.478,37,125,469.843,2.93,5,0.276,0.62,1.0,0.6869731341237749,0.7475155918031663,0.46180008224247826,0.5020988965800837,0.5995969261873758
EOS-5-01008,Cc1nscc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,ASWKBBYLAOVLLH-UHFFFAOYSA-N,5,1,0.556,35,578,449.927,4.288,5,0.357,0.71,1.0,0.6157905558220821,0.7733791378246865,0.39298197519018574,0.39859331094510314,0.5451862449455144
EOS-5-01009,COc1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)cc1C(F)(F)F,AQPYDIVUTGDSCA-UHFFFAOYSA-N,5,1,0.646,48,305,415.375,3.835,4,0.477,0.82,1.0,0.8980450277568364,0.8819734768007675,0.9759098074155301,0.9064234802275375,0.9155879480501679
EOS-5-01010,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ns4)n23)cc1,XNIOXGFEWCCXDX-UHFFFAOYSA-N,5,1,0.615,16,817,421.873,3.937,5,0.424,0.71,1.0,0.7383832499485985,0.8534456171612638,0.47918237269549724,0.555368035090124,0.6565948187238708
EOS-5-01011,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)nc3F)n12,SLDWXPBRRQAHEB-UHFFFAOYSA-N,5,1,0.541,35,143,437.435,3.605,5,0.375,0.62,1.0,0.6593962031389212,0.7198872592694127,0.5934822835994791,0.5871427592351449,0.6399771263107394
EOS-5-01012,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c(F)c1,ZADZIODLMRKZOB-UHFFFAOYSA-N,5,1,0.734,23,406,441.413,3.58,4,0.474,0.75,1.0,0.7506510862860668,0.5328198889726544,0.8308032348708108,0.7597919950654513,0.7185165512987458
EOS-5-01013,COc1cc(-c2nnc3cncc(COc4cc(F)ncc4Cl)n23)ccc1-c1cnco1,HDXWYBDCFVGZRO-UHFFFAOYSA-N,5,1,0.4,14,767,452.833,4.221,5,0.353,0.67,1.0,0.7081591391953944,0.5949215269686793,0.8143633061476252,0.7228856829552464,0.7100824138167363
EOS-5-01014,CCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)s1,SOAZKFVKHOAYKB-UHFFFAOYSA-N,5,1,0.516,58,578,463.954,4.542,5,0.327,0.65,1.0,0.6072921664039477,0.8223219793023097,0.26321876499211844,0.27907614282777055,0.4929772633815366
EOS-5-01015,COc1ccc(-c2nnc3cncc(OCc4ccc(Cl)cn4)n23)cc1-c1nccs1,OXFKOONSDMARMP-UHFFFAOYSA-N,5,1,0.575,4,61,450.911,4.551,5,0.375,0.7,1.0,0.6687341511890892,0.6618634774861216,0.5610650400932081,0.4923326022890823,0.5959988177643754
EOS-5-01016,COc1cc(-c2nnc3cncc(OCCCc4ccc(Cl)nc4)n23)ccc1-c1cncs1,XZZSGKICECVOJG-UHFFFAOYSA-N,5,1,0.505,35,103,478.965,4.983,5,0.229,0.76,1.0,0.8127527242820917,0.7647179768350353,0.5343962031389212,0.4862672195188815,0.6495335309437325
EOS-5-01017,COc1ncc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1cccnn1,MWTOWTMDDYMCLK-UHFFFAOYSA-N,5,1,0.495,65,904,444.43,2.808,5,0.374,0.61,1.0,0.7018624494551435,0.6042594750188472,0.38196490987595094,0.29094133369885544,0.4947570420121993
EOS-5-01018,CCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)s1,OCZPFPSTTUPILS-UHFFFAOYSA-N,5,1,0.506,65,904,447.499,4.028,5,0.372,0.67,1.0,0.6099736138715647,0.7733877047495031,0.27463847577273665,0.2521502981289836,0.47753752313069703
EOS-5-01019,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,IQDDCTPADJIDHB-UHFFFAOYSA-N,5,1,0.523,58,271,454.878,3.514,5,0.359,0.56,1.0,0.6441385100404359,0.7153296552669454,0.3929905421150024,0.45876739085737783,0.5528065245699404
EOS-5-01020,COc1cc(-c2nnc3cncc(OCCc4cc(C#N)ccn4)n23)ccc1-c1cscn1,MEULCUNYSKSWHQ-UHFFFAOYSA-N,5,1,0.533,15,777,455.503,3.812,5,0.364,0.66,1.0,0.7051178808854773,0.5949300938934959,0.5410784044959221,0.4175604824892057,0.5646717154410253
EOS-5-01021,Clc1cc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,DFMIIDXPPWJTNN-UHFFFAOYSA-N,5,1,0.543,20,658,436.888,3.375,5,0.399,0.61,1.0,0.6323932561167843,0.7647265437598519,0.2313669385237475,0.29391405661023917,0.48060019875265575
EOS-5-01022,Fc1cccnc1COc1cncc2nnc(-c3cncc(-c4ccc(Cl)cn4)c3)n12,OKQLWZQHHBQCPG-UHFFFAOYSA-N,5,1,0.489,2,422,433.834,4.015,5,0.413,0.7,1.0,0.6687427181139058,0.7243420601740799,0.7100095949557946,0.7519361250085669,0.7137576245630868
EOS-5-01023,COc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)cn4)n23)ccc1-c1nccs1,MTPRFYCQQLZVSY-UHFFFAOYSA-N,5,1,0.533,11,777,482.928,4.732,5,0.331,0.69,1.0,0.8760537317524502,0.8332962099924611,0.6593191008155712,0.5991193201288465,0.7419470906723323
EOS-5-01024,COc1ncc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cnnc(F)c1,FMQNVVUFGQFRFU-UHFFFAOYSA-N,5,1,0.483,65,657,444.43,2.808,5,0.374,0.57,1.0,0.6869817010485916,0.6230810088410664,0.40048660132958674,0.2969124802960729,0.5018654478788294
EOS-5-01025,COc1ccc(-c2nnc3cncc(OCc4ncncc4F)n23)cc1-c1cscn1,SDRYWBPRLMBWHG-UHFFFAOYSA-N,5,1,0.479,4,61,435.444,3.432,5,0.4,0.67,1.0,0.7018710163799603,0.6419368103625522,0.4583990130902611,0.35382256185319716,0.5390073504214927
EOS-5-01026,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cc4)n23)c(F)c1,LVQGNEZDBNMNOX-UHFFFAOYSA-N,5,1,0.675,48,406,439.878,3.955,4,0.471,0.82,1.0,0.7081677061202111,0.6042680419436639,0.6920190528407922,0.6523541909396203,0.664202247961072
EOS-5-01027,Clc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,UVVMLTSWEWTFDM-UHFFFAOYSA-N,5,1,0.556,35,143,435.9,3.98,5,0.372,0.57,1.0,0.6384672058118018,0.7564080597628675,0.39299910903981905,0.4428329106983757,0.5576768213282159
EOS-5-01028,Cc1nc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1ccccn1,RCTPGWGDEIKQHW-UHFFFAOYSA-N,5,1,0.462,4,702,438.426,3.542,5,0.409,0.62,1.0,0.6749708724556234,0.6715441025289562,0.4962562538551162,0.4366304571311082,0.569850421492701
EOS-5-01029,COc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1-c1cncn1C,ONLIKZGUDYEGPX-UHFFFAOYSA-N,5,1,0.511,15,771,445.458,3.356,5,0.379,0.73,1.0,0.7416129806044822,0.5237732163662532,0.5033411006785005,0.38289013775615105,0.5379043588513467
EOS-5-01030,Fc1ccc(-c2nnc3cncc(OCCc4cncnn4)n23)cc1-c1nncs1,DRGBAZPJFVLCRK-UHFFFAOYSA-N,5,1,0.517,37,779,421.421,2.255,5,0.407,0.71,1.0,0.7853899664176547,0.7819631964909876,0.14185970803920225,0.19115379343430883,0.4750916660955384
EOS-5-01031,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,HBKPXJMTPYBXAX-UHFFFAOYSA-N,5,1,0.537,35,201,425.477,3.803,5,0.408,0.7,1.0,0.7709975327256527,0.6715526694537729,0.517716400520869,0.4771691453635803,0.6093589370159688
EOS-5-01032,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3nccnc3F)n12,WIBXMWYAQQEMLS-UHFFFAOYSA-N,5,1,0.489,58,28,438.423,3.0,5,0.373,0.65,0.999,0.6657271605784387,0.6811904598725241,0.22050407785621273,0.2521588650538003,0.45489514084024396
EOS-5-01034,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncon4)cc3F)n12,JSOSSWLNAXJGPJ-UHFFFAOYSA-N,5,1,0.573,35,325,421.367,3.136,5,0.412,0.75,1.0,0.8151600301555754,0.7243506270988965,0.6451665410184361,0.6289065177164005,0.7033959289973272
EOS-5-01035,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1nccs1,QBFLVLDBADRTBE-UHFFFAOYSA-N,5,1,0.511,35,777,482.928,4.732,5,0.31,0.64,1.0,0.8610102117743814,0.8471660612706463,0.6890548968542252,0.6231838119388664,0.7551037454595299
EOS-5-01036,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)ccn1,VEQWTVNYPBAENA-UHFFFAOYSA-N,5,1,0.552,58,578,419.445,3.465,5,0.389,0.67,1.0,0.7824515112055377,0.8564097731478308,0.37455451990953326,0.34747447056404634,0.5902225687067371
EOS-5-01037,Fc1ccsc1CCOc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,LKQZVFHSKXWFEB-UHFFFAOYSA-N,5,1,0.536,75,583,424.486,4.132,5,0.408,0.67,1.0,0.7593036803509012,0.715338222191762,0.3632033445274484,0.3798403125214173,0.5544213898978823
EOS-5-01038,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12,CVVCXSBYLQPBSS-UHFFFAOYSA-N,5,1,0.54,58,56,419.445,3.465,5,0.389,0.72,1.0,0.7824600781303543,0.8564183400726475,0.32947536152422724,0.312692755808375,0.570261633883901
EOS-5-01039,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3Cl)n12,YTAZAAVXIIUEIQ-UHFFFAOYSA-N,5,1,0.654,19,73,453.89,4.119,5,0.357,0.57,1.0,0.6015351929271469,0.7733962716743198,0.5208090603796861,0.6175125077102324,0.6283132581728463
EOS-5-01040,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccsc3)n12,SUTHQAZBFRNBNN-UHFFFAOYSA-N,5,1,0.531,58,28,424.486,4.132,5,0.382,0.65,1.0,0.7297563566582139,0.7647351106846686,0.2857155095606881,0.2939226235350559,0.5185324001096566
EOS-5-01041,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4F)n23)ccc1-c1nccs1,ZQIALHIOFABSQX-UHFFFAOYSA-N,5,1,0.511,35,777,482.928,4.732,5,0.31,0.63,1.0,0.8610187786991982,0.840235419093962,0.6864334178603249,0.617521074635049,0.7513021725721336
EOS-5-01042,Clc1cncc(Cl)c1COc1cncc2nnc(-c3cccc(-c4cscn4)c3)n12,LKGAVXCRKHCWFB-UHFFFAOYSA-N,5,1,0.506,97,666,455.33,5.196,5,0.363,0.68,1.0,0.6501010897128366,0.6763158796518401,0.8003735179220067,0.8536426564320472,0.7451082859296827
EOS-5-01043,Fc1ccnc(-c2ncncc2-c2nnc3cncc(OCCc4ccncc4F)n23)c1,UCMCIEWTGOGPBP-UHFFFAOYSA-N,5,1,0.489,65,904,432.394,2.938,5,0.403,0.69,1.0,0.7081762730450277,0.6419453772873689,0.5344047700637379,0.5586920019189912,0.6108046055787815
EOS-5-01044,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1ccccn1,QCWZFJXBFUJNLC-UHFFFAOYSA-N,5,1,0.448,49,702,452.453,3.795,5,0.382,0.58,0.929,0.6441470769652525,0.6811990267973408,0.4040076074292372,0.3602820231649647,0.5224089335891988
EOS-5-01045,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncsn1,VFUFJGKFTXJJSD-UHFFFAOYSA-N,5,1,0.633,35,509,419.445,3.465,5,0.416,0.69,1.0,0.79928551847029,0.829895140840244,0.42914296484134057,0.4335891988211911,0.6229782057432665
EOS-5-01046,Clc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)cc(-c2cscn2)n1,FONWWKUZIQSMJU-UHFFFAOYSA-N,5,1,0.607,58,583,435.9,3.98,5,0.372,0.56,0.977,0.6441556438900692,0.7243591940237133,0.314885888561442,0.3570094578849976,0.5101025460900556
EOS-5-01047,Fc1cncnc1COc1cncc2nnc(-c3cncc(-c4cc(Cl)ccn4)c3)n12,MSTUOUSWJNVJEX-UHFFFAOYSA-N,5,1,0.441,2,422,434.822,3.41,5,0.414,0.65,0.999,0.6810276883010075,0.6666523884586388,0.5934908505242958,0.64952710575012,0.6476745082585156
EOS-5-01048,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,FLQGHHKVXBZPJS-UHFFFAOYSA-N,5,1,0.576,72,386,437.435,3.605,5,0.375,0.72,1.0,0.6441642108148858,0.7153467891165787,0.6182235624700158,0.6289150846412171,0.6516624117606744
EOS-5-01050,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccccc3Cl)n12,RBRMGLBXBQZTAF-UHFFFAOYSA-N,5,1,0.654,19,73,453.89,4.119,5,0.357,0.64,1.0,0.604550750462614,0.7603231444040847,0.527696867932287,0.6260280309780001,0.6296496984442465
EOS-5-01051,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3Cl)n12,PENVJKNUUJKWLT-UHFFFAOYSA-N,5,1,0.506,58,271,454.878,3.514,5,0.359,0.62,1.0,0.6157991227468987,0.7384517853471317,0.340338222191762,0.4210043862655061,0.5288983791378247
EOS-5-01052,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4Cl)n23)ccn1,KJANEBLXARASDD-UHFFFAOYSA-N,5,1,0.595,72,386,470.345,4.633,5,0.334,0.68,1.0,0.6594047700637379,0.7647436776094853,0.662266122952505,0.7494602837365499,0.7089687135905695
EOS-5-01053,COCc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1Cl,NWQBMJLYXZOJMF-UHFFFAOYSA-N,5,1,0.511,90,473,431.283,3.656,4,0.441,0.7,1.0,0.6869902679734082,0.6862021108902748,0.5208176273045028,0.5871513261599616,0.6202903330820368
EOS-5-01054,Cc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nccs1,RIPBDMUKUGPTQY-UHFFFAOYSA-N,5,1,0.457,18,578,433.472,3.774,5,0.377,0.64,1.0,0.6928414776231924,0.6522685216914537,0.28929648413405523,0.2612483722842848,0.47391371393324655
EOS-5-01055,Fc1cc(-c2cc(-c3nnc4cncc(OCCc5cccnc5F)n34)ccn2)n[nH]1,HPOZCDAZGYROBV-UHFFFAOYSA-N,5,1,0.522,75,583,420.383,2.871,5,0.421,0.6,1.0,0.8450671646905626,0.6912137619080255,0.5344133369885546,0.5187529984236858,0.6473618155027072
EOS-5-01056,Cn1nccc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,QOCYADPQXJFLCQ-UHFFFAOYSA-N,5,1,0.535,58,578,432.875,3.257,5,0.38,0.74,1.0,0.6780635323144404,0.6862106778150915,0.4004951682544034,0.3858885614419848,0.53766448495648
EOS-5-01057,Cc1nc(-c2ccsn2)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,BZEYAENTXVEBTA-UHFFFAOYSA-N,5,1,0.5,58,28,433.472,3.774,5,0.377,0.68,0.993,0.6532537180453705,0.7198958261942293,0.2964927009800562,0.2790847097525872,0.4871817387430608
EOS-5-01060,COc1ccc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)cc1-c1cccnn1,BYYJSUZDQONYRO-UHFFFAOYSA-N,5,1,0.495,72,224,446.858,3.279,5,0.387,0.7,1.0,0.6501096566376533,0.656903228017271,0.4182201357000891,0.3637173600164485,0.5222375950928655
EOS-5-01062,Clc1ccc(-c2nnc3cncc(OCCc4cccc(-n5cncn5)n4)n23)cc1,BRIQKKXPRADKOR-UHFFFAOYSA-N,5,1,0.595,15,563,418.848,3.042,5,0.418,0.79,0.997,0.7992940853951066,0.8402439860187787,0.3258258515523268,0.3953892810636694,0.5901883010074704
EOS-5-01063,COc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)c3)n12,IQQAPRPQIFKVMF-UHFFFAOYSA-N,5,1,0.506,35,710,465.926,3.988,5,0.332,0.63,1.0,0.6657357275032554,0.6912223288328422,0.3221506408059763,0.2819546295661709,0.49026583167706117
EOS-5-01064,COc1cc(-c2nnc3cncc(OCCCc4cccc(Cl)n4)n23)ccc1-c1cscn1,ISGXRISLKDEPRY-UHFFFAOYSA-N,5,1,0.45,11,777,478.965,4.983,5,0.229,0.7,1.0,0.782468645055171,0.7774741278870536,0.4219724487697896,0.4015746007813035,0.5958724556233295
EOS-5-01067,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)cn1,BKAXAXZAHQWVMY-UHFFFAOYSA-N,5,1,0.602,72,386,437.435,3.605,5,0.375,0.67,1.0,0.6413028579261189,0.7012456308683435,0.6507350421492701,0.652362757864437,0.6614115722020424
EOS-5-01068,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1C#N,RTXWLHRMHLBRHS-UHFFFAOYSA-N,5,1,0.549,90,636,433.859,2.692,4,0.496,0.72,1.0,0.762533411006785,0.5191642108148858,0.49977725995476663,0.43359776574600783,0.5537681618806113
EOS-5-01069,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)ccn1,BPQAVUXZCOJJJP-UHFFFAOYSA-N,5,1,0.552,58,578,419.445,3.465,5,0.389,0.67,1.0,0.7881228154341717,0.8299037077650606,0.4440922486464259,0.41125522582413815,0.6183434994174491
EOS-5-01070,Clc1cc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,GVKDCHVVDIGESC-UHFFFAOYSA-N,5,1,0.549,65,795,436.888,3.375,5,0.399,0.67,1.0,0.6158076896717154,0.7603317113289014,0.1665495853608389,0.23457953532999795,0.44431713042286347
EOS-5-01071,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,ZKBATFIDZMGOPZ-UHFFFAOYSA-N,5,1,0.581,72,386,419.445,3.465,5,0.416,0.69,1.0,0.7938026865876225,0.8182955246384758,0.35922829141251456,0.37349222123226644,0.5862046809677198
EOS-5-01072,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,AOWJZKLQQIANTP-UHFFFAOYSA-N,5,1,0.54,58,56,419.445,3.465,5,0.389,0.73,1.0,0.7881313823589884,0.8260400246727435,0.39300767596463576,0.37350078815708315,0.5951699677883627
EOS-5-01073,COc1cc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3ccncc3F)n12,YAFAIGFKZDZKFJ-UHFFFAOYSA-N,5,1,0.534,35,604,449.471,3.474,5,0.372,0.64,1.0,0.6687512850387225,0.6139915016105819,0.44410081557124254,0.3506785004454801,0.5193805256665067
EOS-5-01074,Fc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ncn3)n12,JXYBFCZCOHUAAS-UHFFFAOYSA-N,5,1,0.443,58,775,484.282,3.501,5,0.264,0.65,1.0,0.8585857720512645,0.8927849359194023,0.35571585223768076,0.45552052635186074,0.640651771640052
EOS-5-01075,Fc1c(Cl)cccc1COc1cncc2nnc(-c3ccnc(-c4ncon4)c3)n12,BGYISPMAHREREA-UHFFFAOYSA-N,5,1,0.53,73,910,423.795,3.608,5,0.422,0.64,1.0,0.7965698033034062,0.6419539442121855,0.6783376739085738,0.709744020286478,0.7066513604276609
EOS-5-01076,Cc1cncc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2)n1,NMABQCLWMZNPGT-UHFFFAOYSA-N,5,1,0.419,53,411,445.874,3.017,5,0.363,0.61,1.0,0.6657442944280721,0.6188660818312659,0.20292474813241038,0.2317695839901309,0.42982617709546983
EOS-5-01077,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nncs4)nc3)n12,JSMWEEDKEVRSKM-UHFFFAOYSA-N,5,1,0.511,65,904,420.433,2.86,5,0.413,0.74,1.0,0.7682646837091358,0.814448975395792,0.2746470426975533,0.2819631964909876,0.5348309745733671
EOS-5-01079,COc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,UWPPFUQUUJIIKA-UHFFFAOYSA-N,5,1,0.512,58,28,449.471,3.474,5,0.348,0.58,1.0,0.632401823041601,0.6715612363785896,0.24545952984716607,0.17735247755465697,0.43169376670550336
EOS-5-01081,Cc1nc(-c2cncs2)ccc1-c1nnc2cncc(OCCc3ncccc3F)n12,KWNRMEKAPZCDAP-UHFFFAOYSA-N,5,1,0.5,87,699,433.472,3.774,5,0.402,0.64,1.0,0.6441727777397026,0.72436776094853,0.259877664313618,0.25535432801041735,0.470943132753067
EOS-5-01083,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)nc4F)n23)c1,IWUMFLAAMAVKGH-UHFFFAOYSA-N,5,1,0.614,84,166,421.367,3.136,5,0.385,0.74,1.0,0.8023696114042903,0.7106949489411281,0.49626482077993284,0.5219912960043863,0.6328301692824344
EOS-5-01085,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4Cl)n23)cn1,DQKCKVYIXGFJGZ-UHFFFAOYSA-N,5,1,0.529,58,271,454.878,3.514,5,0.359,0.54,1.0,0.6099821807963813,0.7243763278733466,0.37456308683434997,0.44612260982797614,0.5387610513330136
EOS-5-01086,Cc1nc(-c2nnc3cncc(OCc4c(F)cccc4F)n23)ccc1-c1nccs1,MULROPAXAHELBZ-UHFFFAOYSA-N,5,1,0.448,44,332,436.447,4.475,5,0.404,0.68,1.0,0.67497943938044,0.6373877732849017,0.6326759646357344,0.6289236515660338,0.6434917072167775
EOS-5-01087,COc1ccc(-c2nnc3cncc(OCc4cccc(F)n4)n23)cc1-c1cncs1,VMQLNAPQAPFTIC-UHFFFAOYSA-N,5,1,0.552,97,83,434.456,4.037,5,0.373,0.71,1.0,0.6441813446645193,0.7060859433897608,0.6211277499828661,0.49847508738263313,0.6174675313549448
EOS-5-01088,Clc1ccc(CCOc2cncc3nnc(-c4cnc(-c5cncnn5)nc4)n23)nc1,TXPJXYPHVQJSLD-UHFFFAOYSA-N,5,1,0.489,65,779,432.835,2.103,5,0.393,0.64,1.0,0.6687598519635392,0.6763244465766568,0.10998218079638133,0.1532365841957371,0.40207576588307864
EOS-5-01090,Cc1cc(-c2ccc(-c3nnc4cncc(OCCc5cnc6cccnc6c5)n34)cn2)ncn1,CLDHXMWOJNEBDQ-UHFFFAOYSA-N,5,1,0.447,6,56,461.489,3.516,6,0.367,0.71,1.0,0.7235453361661298,0.5328284558974711,0.2632273319169351,0.22553286272359674,0.43628349667603317
EOS-5-01091,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)c(F)c1F,SKRTXBFGAHOMNE-UHFFFAOYSA-N,5,1,0.511,90,133,444.829,3.099,4,0.491,0.73,0.998,0.6657528613528888,0.6140000685353986,0.6864419847851415,0.6579483928449044,0.6560358268795834
EOS-5-01092,COc1cc(-c2nnc3cncc(OCCc4ccnc(C#N)c4)n23)ccc1-c1ccsn1,FCHRHLDZEZDHKF-UHFFFAOYSA-N,5,1,0.522,15,777,455.503,3.812,5,0.364,0.67,1.0,0.7081848399698444,0.5375402645466384,0.5548454526763074,0.4210129531903228,0.5553958775957782
EOS-5-01093,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5ncc(Cl)cn5)n34)c2)nc1,ZPWQJXHIDCLSRD-UHFFFAOYSA-N,5,1,0.444,51,491,435.81,2.805,5,0.41,0.68,1.0,0.6532622849701871,0.6763330135014735,0.29650126790487286,0.347483037488863,0.4933949009663491
EOS-5-01094,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cc2F)n(C)n1,POZLQNYWRGUYBP-UHFFFAOYSA-N,5,1,0.552,37,161,448.437,3.19,5,0.394,0.63,1.0,0.6384757727366185,0.6522770886162703,0.41433931875813856,0.40158316770612024,0.5266688369542869
EOS-5-01095,Cc1ccnc(-c2ncncc2-c2nnc3cncc(OCCc4ccncc4F)n23)n1,VEUFUKVMFGQLLF-UHFFFAOYSA-N,5,1,0.479,65,904,429.419,2.502,5,0.401,0.66,1.0,0.7111232951819615,0.6419625111370023,0.18597937084504146,0.17736104447947365,0.4291065554108697
EOS-5-01096,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5ncc[nH]5)nc4F)n23)cn1,QKDOVDGPIGOKNG-UHFFFAOYSA-N,5,1,0.506,58,271,420.383,2.871,5,0.421,0.57,1.0,0.8178072099239257,0.719904393119046,0.48958261942293196,0.4648413405523953,0.6230338907545748
EOS-5-01098,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnn5)n34)c(F)n2)cn1,NPSGQQNUASYRPY-UHFFFAOYSA-N,5,1,0.448,58,24,445.418,2.202,5,0.344,0.59,0.999,0.6441899115893359,0.641971078061819,0.1448238640257693,0.10497052977863067,0.38398884586388876
EOS-5-01099,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(C(F)(F)F)c(-c4cscn4)c3)n12,PMGQRXPVSXJPBM-UHFFFAOYSA-N,5,1,0.523,11,201,486.454,5.089,5,0.246,0.71,1.0,0.9136282639983552,0.9043331505722706,0.9712151326159961,0.9354053868823248,0.9311454835172366
EOS-5-01100,Fc1ccc(Cl)c(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1,VOYCKCASNNUMJU-UHFFFAOYSA-N,5,1,0.761,23,370,403.244,4.859,4,0.478,0.81,1.0,0.9995716537591666,0.9996830237817833,0.9615259406483448,0.9813069700500309,0.9855218970598314
EOS-5-01101,COc1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)cc1-c1nccs1,IXYXRLDZGNDFDA-UHFFFAOYSA-N,5,1,0.516,15,777,465.926,3.988,5,0.355,0.62,1.0,0.6472911383729696,0.6959769721060928,0.3073469947227743,0.29094990062367215,0.48539125145637724
EOS-5-01102,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)nc3)n12,RTOPLTZELXEUHK-UHFFFAOYSA-N,5,1,0.528,35,76,419.445,3.465,5,0.389,0.72,1.0,0.7795644575423206,0.8260485915975602,0.41076691110958813,0.38589712836680146,0.6005692721540676
EOS-5-01103,Clc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,MHJFWENOESRCTN-UHFFFAOYSA-N,5,1,0.471,58,28,436.888,3.375,5,0.373,0.65,1.0,0.6130491398807484,0.7431207593722158,0.11860050716194914,0.16373963402097183,0.40962751010897125
EOS-5-01105,Fc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5cncs5)c4)n23)c1,VXVPJQNPBHXHAK-UHFFFAOYSA-N,5,1,0.543,59,183,422.42,4.167,5,0.423,0.76,1.0,0.7853985333424713,0.6912308957576588,0.8215423891439929,0.8130611335754917,0.7778082379549037
EOS-5-01106,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)nc3)n12,VNVUOJTUPPLZQK-UHFFFAOYSA-N,5,1,0.529,58,271,454.878,3.514,5,0.359,0.57,1.0,0.6158162565965322,0.7012541977931601,0.3784353368514838,0.4461311767527928,0.5354092419984922
EOS-5-01108,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cn1,VVLQNIDWPHRHBJ-UHFFFAOYSA-N,5,1,0.537,58,56,419.445,3.465,5,0.389,0.69,1.0,0.7738160509903365,0.8260571585223768,0.4291515317661572,0.3986018778699198,0.6069066547871975
EOS-5-01109,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3nccnc3Cl)n12,MOYFJKIPONBCJA-UHFFFAOYSA-N,5,1,0.473,87,143,454.878,3.514,5,0.359,0.5,1.0,0.613057706805565,0.6959855390309094,0.2560996504694675,0.3441590706599959,0.4773254917414845
EOS-5-01110,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1csnn1,RLKAMUXDOUUIFJ-UHFFFAOYSA-N,5,1,0.531,72,729,449.471,3.474,5,0.348,0.67,1.0,0.6441984785141526,0.627655746693167,0.5033496676033171,0.4015917346309369,0.5441989068603934
EOS-5-01111,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)cc1F,BSBDJFQSNSSUID-UHFFFAOYSA-N,5,1,0.636,59,294,422.42,4.167,5,0.423,0.78,1.0,0.7824772119799877,0.6862192447399081,0.8125299842368583,0.7977948735521897,0.769755328627236
EOS-5-01112,Fc1cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c(F)n1,LKTLQIWDCLGMOG-UHFFFAOYSA-N,5,1,0.718,23,281,405.767,3.879,4,0.471,0.68,1.0,0.9892570762798986,0.995202522102666,0.9413593996299089,0.9516911109588102,0.9693775272428209
EOS-5-01113,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-n5cncn5)nn4)n23)cc1,DNNRUHZPRDWQCK-UHFFFAOYSA-N,5,1,0.605,36,482,419.836,2.437,5,0.413,0.78,0.999,0.7682732506339525,0.8183040915632924,0.18918340072647521,0.28197176341580427,0.514433126584881
EOS-5-01116,Cc1cnc(COc2cncc3nnc(-c4cc(-c5nccs5)c(F)cc4Cl)n23)cn1,WPAIDQXNPAGBSH-UHFFFAOYSA-N,5,1,0.5,73,877,453.89,4.385,5,0.39,0.69,1.0,0.5901411829209787,0.7384603522719485,0.5410869714207388,0.5519241313138236,0.6054031594818724
EOS-5-01117,CCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)nc5)n34)cn2)s1,HJNQRQSSIDEFIY-UHFFFAOYSA-N,5,1,0.518,58,981,463.954,4.542,5,0.327,0.66,1.0,0.5755774107326435,0.8105767253786581,0.2529298882873004,0.2642724967445686,0.47583913028579267
EOS-5-01120,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12,IILIOEAYDBLVMO-UHFFFAOYSA-N,5,1,0.542,58,904,419.445,3.465,5,0.416,0.71,1.0,0.7653005277225687,0.8299122746898773,0.3857000890960181,0.3670156260708656,0.5869821293948324
EOS-5-01121,Fc1nc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)cs1,RUCZRCLWRJOYFE-UHFFFAOYSA-N,5,1,0.53,58,56,419.445,3.465,5,0.416,0.71,1.0,0.7908642313755054,0.7862809265985882,0.3592368583373312,0.33150572270577755,0.5669719347543005
EOS-5-01122,Cn1cncc1-c1ccc(-c2nnc3cncc(Oc4ccc(F)c(Cl)c4)n23)cn1,IERAXOBDTSXOMP-UHFFFAOYSA-N,5,1,0.588,13,573,421.823,4.172,5,0.433,0.79,1.0,0.7824857789048043,0.6959941059557261,0.7957131108217395,0.8020869028853402,0.7690699746419025
EOS-5-01123,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)nnc4Cl)n23)ccc1-c1cocn1,RZKJKAMJVAKJQG-UHFFFAOYSA-N,5,1,0.5,72,777,484.303,4.173,5,0.336,0.57,1.0,0.9011633883901035,0.7774826948118704,0.5277054348571036,0.5187615653485025,0.681278270851895
EOS-5-01124,OCc1nc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1Cl,JNJBCLLQQQSDKL-UHFFFAOYSA-N,5,1,0.424,90,473,436.234,2.536,4,0.491,0.61,0.999,0.6384843396614351,0.6666609553834556,0.3819734768007676,0.5355870056884381,0.5556764443835241
EOS-5-01125,OCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)nn4)n23)ccc1Cl,DFUFTGRCVPYDET-UHFFFAOYSA-N,5,1,0.542,90,400,417.256,3.002,4,0.515,0.76,1.0,0.7854071002672881,0.8872935371119183,0.6240833390446165,0.7124340346789116,0.7523045027756837
EOS-5-01126,COc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1cccnn1,MZDXNEBNWONSTF-UHFFFAOYSA-N,5,1,0.522,72,31,445.87,3.884,5,0.363,0.71,1.0,0.6442070454389692,0.6140086354602152,0.5806747309985607,0.512173600164485,0.5877660030155576
EOS-5-01127,COc1cc(-c2nnc3cncc(OCCc4nccc(Cl)c4F)n23)ccc1-c1nccs1,JVNSPCNZMTZEAL-UHFFFAOYSA-N,5,1,0.5,11,777,482.928,4.732,5,0.331,0.68,1.0,0.8381793571379618,0.8183126584881091,0.6121410458501816,0.5715252552943595,0.710039579192653
EOS-5-01128,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncn4)n23)cc1,JSGLXBMBHMOVTP-UHFFFAOYSA-N,5,1,0.549,4,817,416.832,3.271,5,0.43,0.68,1.0,0.744585703515866,0.9339318758138578,0.5378572407648551,0.564988691659242,0.6953408779384552
EOS-5-01129,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2)cs1,INXCAEVBCUUAOA-UHFFFAOYSA-N,5,1,0.433,54,411,450.915,3.683,5,0.361,0.74,1.0,0.6240662051949832,0.6471283668014529,0.18274107326434103,0.21996436159276267,0.418475001713385
EOS-5-01131,COc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnsn4)nc3Cl)n12,MNXVQIITEYHMCF-UHFFFAOYSA-N,5,1,0.478,65,271,466.914,3.383,5,0.333,0.49,0.986,0.6472997052977864,0.6715698033034062,0.23490507847303133,0.21712870947844562,0.44272582413816736
EOS-5-01132,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1ncc(C)cn1,DZZHIUXKFHMOTD-UHFFFAOYSA-N,5,1,0.439,31,690,472.94,4.184,5,0.347,0.61,0.95,0.6899458570351586,0.6912394626824755,0.14483243095058598,0.15324515112055376,0.4198157254471934
EOS-5-01133,Fc1c(Cl)cccc1COc1cncc2nnc(-c3cnnc(-c4ccsn4)c3)n12,BXPHTLHYBYZRNB-UHFFFAOYSA-N,5,1,0.477,24,910,439.863,4.076,5,0.407,0.57,0.999,0.6269189911589336,0.6569117949420876,0.6811647590980742,0.7416986498526489,0.6766735487629361
EOS-5-01134,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)c(F)c1F,FBUFOOFBYACEBH-UHFFFAOYSA-N,5,1,0.495,90,133,444.829,3.099,4,0.459,0.74,0.999,0.6594133369885546,0.580177849359194,0.6534336234665205,0.6175296415598657,0.6276386128435336
EOS-5-01135,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,SLDYIDAAYVFCOG-UHFFFAOYSA-N,5,1,0.62,35,509,419.445,3.465,5,0.416,0.72,1.0,0.7738246179151532,0.8029264615173737,0.4257847303132068,0.4302737989171407,0.6082024021657186
EOS-5-01136,COc1ccc(-c2nnc3cncc(OCc4cccc(F)n4)n23)cc1-c1nccs1,OZKIMKHBCOSVDB-UHFFFAOYSA-N,5,1,0.551,1,61,434.456,4.037,5,0.373,0.74,1.0,0.6532708518950038,0.6471369337262696,0.5308751970392708,0.4144935234048386,0.5614441265163457
EOS-5-01137,Clc1ccc(-c2nnc3cncc(OCCc4cccc(-n5cccn5)n4)n23)cc1,FOAOXBFQPKSVDB-UHFFFAOYSA-N,5,1,0.598,11,275,417.86,3.647,5,0.419,0.76,1.0,0.7795730244671373,0.862672195188815,0.4143478856829552,0.48012473442533066,0.6341794599410596
EOS-5-01138,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,NHLYXSCGJWLASD-UHFFFAOYSA-N,5,1,0.556,24,199,439.863,4.076,5,0.407,0.64,1.0,0.6324103899664176,0.6419796449866356,0.4997858268795833,0.5486686998834899,0.5807111404290316
EOS-5-01139,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1F,SZJJIUWTEXQAQL-UHFFFAOYSA-N,5,1,0.61,35,619,415.432,3.347,5,0.423,0.67,1.0,0.8910458501816189,0.8105852923034748,0.5308837639640874,0.4832602289082311,0.678943783839353
EOS-5-01140,COc1ccc(-c2nnc3cncc(OCc4cc(F)ccn4)n23)cc1-c1nccs1,GJLALLGTMKTZRS-UHFFFAOYSA-N,5,1,0.558,4,61,434.456,4.037,5,0.399,0.7,0.999,0.647308272222603,0.652285655541087,0.5644918100198753,0.4587759577821945,0.5807154238914399
EOS-5-01141,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12,XOXFKNIXFHFIAI-UHFFFAOYSA-N,5,1,0.571,37,832,437.435,3.605,5,0.401,0.69,1.0,0.6324189568912343,0.6569203618669043,0.6700962922349394,0.6814046329929409,0.6602100609965047
EOS-5-01142,Clc1ccc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cc1,WNGIZUMZFWQKDC-UHFFFAOYSA-N,5,1,0.573,4,539,415.844,3.876,5,0.43,0.77,1.0,0.782494345829621,0.930753546706874,0.46896203138921255,0.521999862929203,0.6760524467137276
EOS-5-01143,COc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1ccnnc1,XFOISMNCGXXYRR-UHFFFAOYSA-N,5,1,0.522,4,31,445.87,3.884,5,0.363,0.74,1.0,0.6158248235213488,0.6569289287917209,0.664613460352272,0.5901754506202453,0.6318856658213968
EOS-5-01144,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,BEZRKZYEQOISMM-UHFFFAOYSA-N,5,1,0.542,58,904,419.445,3.465,5,0.416,0.71,1.0,0.7710060996504695,0.8029350284421904,0.4549808100884107,0.4302823658419574,0.614801076005757
EOS-5-01145,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5ncon5)nc4F)n23)ccn1,JRSYHUASZVIEMF-UHFFFAOYSA-N,5,1,0.529,58,262,422.355,2.531,5,0.38,0.7,1.0,0.7825029127544376,0.6522942224659036,0.3632119114522651,0.36372592694126515,0.5404337434034678
EOS-5-01146,Fc1nc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,HRQCWGWANYLPJJ-UHFFFAOYSA-N,5,1,0.536,58,271,420.433,2.86,5,0.386,0.72,1.0,0.7625419779316017,0.7734048385991364,0.18598793776985814,0.2054177232540607,0.4818381193886643
EOS-5-01147,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4ccsn4)nc3F)n12,YDBPUYUEPVVQIA-UHFFFAOYSA-N,5,1,0.506,58,28,437.435,3.605,5,0.375,0.55,1.0,0.6130662737303817,0.6960026728805428,0.38570865602083476,0.4239085737783565,0.5296715441025289
EOS-5-01148,Cn1cc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)ncc1=O,DALAAGRQHFCLEB-UHFFFAOYSA-N,5,1,0.5,65,981,460.885,2.617,5,0.355,0.61,1.0,0.6295833047769173,0.6471455006510863,0.32215920773079293,0.32484922212322664,0.4809343088205058
EOS-5-01149,Fc1cc(F)nc(COc2cncc3nnc(-c4cncc(-c5nccnc5F)c4)n23)c1,NASSNKNZRHJSIA-UHFFFAOYSA-N,5,1,0.462,2,970,436.357,3.035,5,0.387,0.68,0.996,0.6045593173874306,0.7199129600438626,0.6864505517099582,0.6724179288602563,0.670835189500377
EOS-5-01151,CCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ncccc5F)n34)cn2)s1,RNMCOPVUQWSPJL-UHFFFAOYSA-N,5,1,0.511,58,699,447.499,4.028,5,0.372,0.64,1.0,0.5729387978891097,0.7431293262970324,0.17311184977040642,0.17208381879240628,0.41531594818723877
EOS-5-01153,CCc1nc(-c2nnc3cncc(OCc4cccc(F)c4)n23)ccc1-c1ccc(CO)cn1,CJMXCEXTHHYPPE-UHFFFAOYSA-N,5,1,0.462,44,348,456.481,4.021,5,0.395,0.74,0.983,0.6295918717017339,0.6276643136179837,0.6121496127749982,0.5519326982386402,0.605334624083339
EOS-5-01154,COc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1cscn1,SNMGVVZKUAKYCT-UHFFFAOYSA-N,5,1,0.551,1,61,450.911,4.551,5,0.35,0.75,1.0,0.6269275580837502,0.6276728805428003,0.6000788157083133,0.5324515112055377,0.5967826913851004
EOS-5-01155,Clc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,HYMREJLBYOGIJY-UHFFFAOYSA-N,5,1,0.617,72,386,435.9,3.98,5,0.398,0.73,1.0,0.6045678843122473,0.7199215269686793,0.4863357549174148,0.5486772668083065,0.589875608251662
EOS-5-01156,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4ccc(C(F)(F)F)nn4)c3)n12,ZLAYFIWYAZNKSU-UHFFFAOYSA-N,5,1,0.5,58,241,482.401,3.818,5,0.266,0.72,1.0,0.8127612912069083,0.8183212254129257,0.8885186073607018,0.7839935576725379,0.8258986704132685
EOS-5-01157,N#Cc1nc(COc2cncc3nnc(-c4cccc(-c5nncs5)c4)n23)ccc1F,RIKCIYVGJPULID-UHFFFAOYSA-N,5,1,0.5,4,702,430.428,3.295,5,0.417,0.7,1.0,0.6532794188198204,0.6812075937221574,0.4997943938044,0.464849907477212,0.5747828284558975
EOS-5-01158,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,ULQFJHKFFOSOPM-UHFFFAOYSA-N,5,1,0.511,37,832,454.878,3.514,5,0.359,0.66,1.0,0.5870742238366116,0.7107035158659447,0.3930162428894524,0.45241929956822696,0.5358033205400589
EOS-5-01159,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCCc3ccccc3)n12,ZPNWQOJOYJBEBP-UHFFFAOYSA-N,5,1,0.617,91,660,432.484,4.461,5,0.353,0.75,1.0,0.609990747721198,0.7384689191967652,0.510365979028168,0.5649972585840587,0.6059557261325474
EOS-5-01160,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(F)c1,JCPRIWCZJGFINT-UHFFFAOYSA-N,5,1,0.538,90,536,452.877,3.493,5,0.461,0.82,1.0,0.692850044548009,0.5058083750257008,0.3518521691453636,0.46485847440202865,0.5038422657802755
EOS-5-01161,N#CCCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,HAPNXTHZHMCYRW-UHFFFAOYSA-N,5,1,0.515,65,578,483.923,3.769,5,0.303,0.61,1.0,0.7993026523199233,0.9018830100747036,0.3745716537591666,0.38952093756425193,0.6163195634295114
EOS-5-01162,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12,NCPUIQVXEKDRKN-UHFFFAOYSA-N,5,1,0.571,37,832,437.435,3.605,5,0.401,0.66,1.0,0.6269361250085669,0.6569374957165376,0.6646220272770886,0.6844373243780413,0.6582332430950586
EOS-5-01163,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccnnc5)n34)c2)cs1,RMTUSCDEQVKUQL-UHFFFAOYSA-N,5,1,0.54,72,684,433.472,3.774,5,0.402,0.74,1.0,0.6532879857446371,0.6373963402097184,0.4476046878212597,0.41126379274895486,0.5373882016311424
EOS-5-01164,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,IIXDDGVDBPFTSR-UHFFFAOYSA-N,5,1,0.505,58,24,454.878,3.514,5,0.359,0.55,1.0,0.5931053389075458,0.6912480296072921,0.3185782331574258,0.4044273867452539,0.5018397471043794
EOS-5-01165,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cc1C#N,SBKTUNOZZDGWGQ-UHFFFAOYSA-N,5,1,0.521,90,636,433.859,2.692,4,0.464,0.7,1.0,0.717351449523679,0.5191727777397026,0.4689705983140292,0.40443595367007057,0.5274826948118703
EOS-5-01166,COc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1C(F)(F)F,KFGLUWXGWLVKLQ-UHFFFAOYSA-N,5,1,0.369,0,188,471.414,4.517,5,0.433,0.87,1.0,0.6384929065862518,0.7290196011239806,0.9512284970187102,0.9164039476389555,0.8087862380919746
EOS-5-01167,Clc1cnnc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4Cl)n23)c1,YIBCTVDATOQBFI-UHFFFAOYSA-N,5,1,0.462,58,28,471.333,4.028,5,0.342,0.48,1.0,0.6184891371393325,0.7734134055239531,0.21012096497841135,0.34749160441367966,0.4873787780138441
EOS-5-01169,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3Cl)n12,YGAYCWONACBCML-UHFFFAOYSA-N,5,1,0.506,58,271,454.878,3.514,5,0.359,0.56,1.0,0.5870827907614283,0.7012627647179769,0.3967428551847029,0.4741792886025632,0.5398169248166679
EOS-5-01170,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4nnco4)nc3F)n12,BTCWAJJPQLZSOH-UHFFFAOYSA-N,5,1,0.506,58,271,422.355,2.531,5,0.38,0.6,1.0,0.7854156671921048,0.627681447467617,0.39302480981426907,0.3924422589267357,0.5496410458501816
EOS-5-01171,Fc1ccccc1C=Nc1ccc(-c2nnc3cncc(COc4cccnc4F)n23)cc1,FZECMUXSAZNOJA-UHFFFAOYSA-N,5,1,0.48,79,18,442.429,4.794,5,0.279,0.77,1.0,0.6501182235624701,0.5801864162840107,0.8487166746624631,0.7840021245973545,0.7157558597765745
EOS-5-01172,N#Cc1cc(-c2ccno2)cc(-c2nnc3cncc(OCc4ncnc(F)c4F)n23)c1,HYFYJUPSLKQBIH-UHFFFAOYSA-N,5,1,0.478,16,772,432.35,2.965,5,0.385,0.58,1.0,0.6899544239599753,0.57484065519841,0.7437118771845658,0.7067027619765609,0.678802429579878
EOS-5-01173,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)c2)cs1,SPMKIQPDNFHENQ-UHFFFAOYSA-N,5,1,0.483,1,666,434.912,4.851,5,0.368,0.8,1.0,0.6385014735110685,0.6419882119114523,0.6267048180385169,0.6084230004797478,0.6289043759851963
EOS-5-01174,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)ccn1,RDCLQGPUDVYSHL-UHFFFAOYSA-N,5,1,0.577,75,583,419.445,3.465,5,0.389,0.67,1.0,0.8076639709409911,0.7153553560413953,0.38198204372558425,0.35701802480981426,0.5655048488794463
EOS-5-01175,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(OCc3ccc(Cl)cn3)n12,STGQBLPNNZQGBE-UHFFFAOYSA-N,5,1,0.582,73,82,423.795,3.608,5,0.422,0.71,1.0,0.6928586114728257,0.7431378932218491,0.642150983482969,0.672426495785073,0.6876434959906792
EOS-5-01176,COc1cc(-c2nnc3cncc(OCCc4cccc(C#N)n4)n23)ccc1-c1cncs1,KNGXDXMDLUPNRK-UHFFFAOYSA-N,5,1,0.516,15,103,455.503,3.812,5,0.364,0.7,1.0,0.6442156123637859,0.5801949832088273,0.48634432184223153,0.3570265917346309,0.5169453772873689
EOS-5-01177,COc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5cncn5C)c4)n23)c1F,ZDVHGJSQZCBDAK-UHFFFAOYSA-N,5,1,0.438,2,328,449.421,3.453,5,0.392,0.71,1.0,0.6718696456719896,0.5237817832910698,0.8082208210540744,0.6814131999177575,0.6713213624837229
EOS-5-01178,COc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1cocn1,XKAWSDHKVXMYGA-UHFFFAOYSA-N,5,1,0.551,1,61,434.843,4.082,5,0.368,0.66,1.0,0.6594219039133713,0.5995905009937633,0.6211363169076828,0.5324600781303543,0.603152199986293
EOS-5-01180,Clc1cnnc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c1,CZZZJNQGNCMKKD-UHFFFAOYSA-N,5,1,0.462,58,28,471.333,4.028,5,0.342,0.46,1.0,0.6212476869302995,0.7564166266876842,0.2705177849359194,0.4078969912960044,0.5140197724624769
EOS-5-01181,COc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1cncs1,VZWXATRSJXGURQ-UHFFFAOYSA-N,5,1,0.552,97,83,450.911,4.551,5,0.35,0.72,1.0,0.5931139058323625,0.6763415804262902,0.6182321293948324,0.5486858337331232,0.6090933623466521
EOS-5-01182,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,WSNJQGZLRWMVML-UHFFFAOYSA-N,5,1,0.562,58,28,419.445,3.465,5,0.389,0.68,1.0,0.7593122472757179,0.7986172983345898,0.2821516688369543,0.27909327667740386,0.5297936227811665
EOS-5-01183,COc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)nc4F)n23)nc1,DDQWQYOOCHHMQA-UHFFFAOYSA-N,5,1,0.557,87,143,449.471,3.474,5,0.348,0.52,1.0,0.6015437598519635,0.6618720444109383,0.36322047837708177,0.2728565554108697,0.47487320951271333
EOS-5-01184,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccncc3Cl)n12,MAMRLEUTWLMSTR-UHFFFAOYSA-N,5,1,0.506,58,271,454.878,3.514,5,0.359,0.58,1.0,0.5901497498457954,0.6862278116647248,0.40401617435405385,0.48326879583304777,0.5409156329244055
EOS-5-01185,Clc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)ncn1,UOPABECDQIQPDJ-UHFFFAOYSA-N,5,1,0.523,75,583,436.888,3.375,5,0.373,0.7,1.0,0.6240747721197999,0.647154067575903,0.24203275992049894,0.2728651223356864,0.4465316804879721
EOS-5-01186,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)ccc1F,QEAUKTNGDXGGJT-UHFFFAOYSA-N,5,1,0.548,24,912,430.428,3.295,5,0.417,0.68,1.0,0.659430470838188,0.6471626345007196,0.4367418271537249,0.3895295044890686,0.5332161092454253
EOS-5-01188,N#Cc1cnc(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cn5)n34)ncn2)cn1,CJWROXKNEJYVME-UHFFFAOYSA-N,5,1,0.396,7,128,442.83,2.537,5,0.398,0.62,1.0,0.5645603454184086,0.7475241587279831,0.32948392844904395,0.3570351586594476,0.49965089781372085
EOS-5-01189,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)cn1,XCHLFRQBBUPBEZ-UHFFFAOYSA-N,5,1,0.531,35,76,419.445,3.465,5,0.389,0.68,1.0,0.7383918168734152,0.8260657254471935,0.4441093824960592,0.4112723596737715,0.6049598211226098
EOS-5-01190,N#Cc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)n1,JNLCJDQTCWPPTC-UHFFFAOYSA-N,5,1,0.512,24,912,430.428,3.295,5,0.417,0.6,1.0,0.662677335343705,0.637404907134535,0.43300664793365773,0.4044445205948873,0.5343833527516962
EOS-5-01191,OCc1cc(-c2nnc3cncc(OCCc4cncc(Cl)n4)n23)ccc1Cl,BGXLALXTQYAUAJ-UHFFFAOYSA-N,5,1,0.542,90,636,417.256,3.002,4,0.515,0.69,0.999,0.7653090946473854,0.8794890686039339,0.632684531560551,0.7150555136728121,0.7481345521211706
EOS-5-01192,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4c[nH]nn4)cc3F)n12,QXENLPNATUQXIL-UHFFFAOYSA-N,5,1,0.528,37,832,420.383,2.871,5,0.45,0.68,1.0,0.7710146665752862,0.7199300938934959,0.6920276197656089,0.6844458913028579,0.7168545678843122
EOS-5-01193,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cncs4)nc3)n12,BLDTUNRUWNJJNF-UHFFFAOYSA-N,5,1,0.554,65,904,419.445,3.465,5,0.416,0.68,1.0,0.7416215475292989,0.8144575423206086,0.46897916523884586,0.44284147762319237,0.6169749331779864
EOS-5-01195,Cn1ccc(-c2cc(F)cc(-c3nnc4cncc(OCCc5ccncc5Cl)n34)c2)n1,MJUMPHUPQPTLER-UHFFFAOYSA-N,5,1,0.54,37,161,449.877,4.001,5,0.389,0.67,1.0,0.5987338085120965,0.6523027893907203,0.7411417997395655,0.7441659241998492,0.6840860804605579
EOS-5-01196,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1C#N,ZSLTXJIHFZCFQP-UHFFFAOYSA-N,5,1,0.521,90,636,452.837,2.227,4,0.471,0.63,1.0,0.6839147419642245,0.4916215475292989,0.4291600986909739,0.3986104447947365,0.5008267082448085
EOS-5-01197,CCc1nc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cnc(C)nc1,ADLCSBNCUMHFLP-UHFFFAOYSA-N,5,1,0.414,18,690,456.485,3.67,5,0.342,0.6,0.989,0.6240833390446165,0.59959906791858,0.2705263518607361,0.2054262901788774,0.42490876225070257
EOS-5-01199,Fc1cc(F)nc(COc2cncc3nnc(-c4cncc(-c5cc(F)ccn5)c4)n23)c1,NMXYUFQXOOZHTK-UHFFFAOYSA-N,5,1,0.478,2,422,435.369,3.64,5,0.389,0.65,1.0,0.6015523267767802,0.6912565965321088,0.837451168528545,0.8370656569117949,0.7418314371873072
EOS-5-01200,Fc1ccc(-c2nnc3cncc(OCCc4ccncn4)n23)cc1-c1ncsn1,VYQAJVNGDDIMLA-UHFFFAOYSA-N,5,1,0.524,20,325,420.433,2.86,5,0.413,0.7,1.0,0.7445942704406826,0.7603402782537181,0.26323589884175175,0.2819803303406209,0.5125376944691933
EOS-5-01201,CCn1nccc1-c1ccc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)cc1C#N,ZNNYGOQDZXFRQA-UHFFFAOYSA-N,5,1,0.489,43,521,457.444,4.404,5,0.375,0.62,1.0,0.6212562538551162,0.6090912206154478,0.8775186758961003,0.8552618052223974,0.7407819888972654
EOS-5-01202,Cc1nscc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cn1,OIAHOAWPBQROCC-UHFFFAOYSA-N,5,1,0.544,65,904,433.472,3.774,5,0.402,0.71,1.0,0.6158333904461655,0.6812161606469742,0.40402474127887056,0.3700825851552327,0.5177892193818108
EOS-5-01203,CCc1nc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1nccs1,BPVYTNGKNGWPFE-UHFFFAOYSA-N,5,1,0.448,18,578,447.499,4.028,5,0.348,0.64,0.999,0.6073007333287643,0.6276900143924337,0.21012953190322803,0.1993780412583099,0.411124580220684
EOS-5-01204,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncn5)n34)c(F)n2)cs1,YGOHYEKEQLQVLM-UHFFFAOYSA-N,5,1,0.506,58,24,434.46,3.169,5,0.376,0.65,1.0,0.6099993146460146,0.6812247275717909,0.16025289562058803,0.14097731478308545,0.3981135631553697
EOS-5-01205,Cc1ccnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)nn2)n1,QMVYEFLOMIVGIV-UHFFFAOYSA-N,5,1,0.43,54,411,429.419,2.502,5,0.375,0.64,0.998,0.689962990884792,0.5902525529435954,0.13267596463573436,0.127655746693167,0.38513681378932213
EOS-5-01207,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ccn3)n12,UOUONYWCPFNIML-UHFFFAOYSA-N,5,1,0.5,58,24,454.878,3.514,5,0.359,0.55,0.996,0.5784130628469605,0.6912651634569255,0.32216777465560964,0.4210215201151395,0.5032168802686587
EOS-5-01208,COc1cc(-c2nnc3cncc(OCC4CC4(F)F)n23)ccc1-c1cscn1,OBLVPOQCTRYTHK-UHFFFAOYSA-N,5,1,0.512,5,947,415.425,3.957,5,0.475,0.57,1.0,0.847405935165513,0.847174628195463,0.8453755739839627,0.7769258446987869,0.8292204955109314
EOS-5-01209,Fc1cncnc1COc1cncc2nnc(-c3cc(Cl)nc(-c4cscn4)c3)n12,BPZGRJPJKMPHSS-UHFFFAOYSA-N,5,1,0.478,24,486,440.851,3.471,5,0.382,0.64,0.966,0.6045764512370639,0.6471712014255363,0.40050373517922006,0.4524278664930437,0.5261698135837161
EOS-5-01210,Fc1ccc(Cl)nc1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,TUEHRXCINTUUTE-UHFFFAOYSA-N,5,1,0.451,2,422,439.863,4.076,5,0.381,0.73,1.0,0.5987423754369131,0.6618806113357549,0.5308923308889041,0.577779110410527,0.5923236070180248
EOS-5-01211,COc1ccc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)cc1-c1nccs1,PSMFCPWYVZHRDU-UHFFFAOYSA-N,5,1,0.516,4,61,451.899,3.946,5,0.358,0.71,1.0,0.5987509423617299,0.6374134740593517,0.42579329723802345,0.35068706737029676,0.5031611952573505
EOS-5-01213,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4F)n23)ccn1,HHEDOEWKIVRDTE-UHFFFAOYSA-N,5,1,0.523,58,271,438.423,3.0,5,0.373,0.55,1.0,0.6130748406551985,0.6276985813172503,0.3967514221095196,0.41128092659858817,0.5122014426701391
EOS-5-01215,O=C(NCc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12)c1ccc(F)c(F)c1,TUGZJBOSZZGNSM-UHFFFAOYSA-N,5,1,0.671,66,225,433.34,4.018,4,0.494,0.81,1.0,0.5703601535192927,0.7603488451785347,0.9923069015146323,0.983028921938181,0.8265112055376602
EOS-5-01216,COc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1nccs1,NMRDDZTVKSJGGY-UHFFFAOYSA-N,5,1,0.551,1,61,450.911,4.551,5,0.35,0.74,1.0,0.5987595092865465,0.6277071482420671,0.5277140017819204,0.4618857514906449,0.5540166027002947
EOS-5-01217,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1ccc(C#N)nn1,BXODXBSDUURQQC-UHFFFAOYSA-N,5,1,0.479,15,771,451.45,2.54,5,0.363,0.62,1.0,0.6385100404358851,0.5468610787471729,0.3185868000822425,0.2255414296484134,0.4323748372284285
EOS-5-01218,Clc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5cscn5)c4)n23)cn1,XNUXAZWJJYBUDM-UHFFFAOYSA-N,5,1,0.489,58,778,436.888,3.375,5,0.373,0.54,1.0,0.6015608937015968,0.6618891782605716,0.29291172640668905,0.34416763758481256,0.47513235898841755
EOS-5-01219,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)ccc1F,RYDPYMCEPSZPDC-UHFFFAOYSA-N,5,1,0.548,24,912,430.428,3.295,5,0.417,0.68,1.0,0.6473168391474197,0.6325131930642177,0.5033582345281338,0.45243643341786033,0.5589061750394079
EOS-5-01220,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,RMQBHWBKMKAWCI-UHFFFAOYSA-N,5,1,0.622,37,325,419.445,3.465,5,0.416,0.71,1.0,0.7446028373654993,0.7862894935234048,0.34411623603591257,0.3570437255842643,0.5580130731272702
EOS-5-01221,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4ncno4)cc3F)n12,KRUHHFFVXSEDBY-UHFFFAOYSA-N,5,1,0.547,35,161,421.367,3.136,5,0.412,0.65,1.0,0.7564423274621342,0.6763501473511069,0.6673548762936057,0.6436073607018025,0.6859386779521623
EOS-5-01222,COc1cc(-c2nnc3cncc(OCC=Cc4ccccc4)n23)ccc1-c1cccnn1,RHDQTKWIJMZYIQ-UHFFFAOYSA-N,5,1,0.5,1,955,436.475,4.349,5,0.375,0.69,1.0,0.678072099239257,0.5146580083613186,0.5967377150298129,0.442850044548009,0.5580794667945994
EOS-5-01223,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)c(Cl)c2)cs1,LNUQHFVLBOICJZ-UHFFFAOYSA-N,5,1,0.517,11,684,483.384,5.547,5,0.315,0.81,1.0,0.788139949283805,0.859682338427798,0.6451751079432527,0.7037557398396271,0.7491882838736207
EOS-5-01224,Cc1ccc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cc(Cl)n5)n34)c2)nc1,VJLWDCGNVNVIJK-UHFFFAOYSA-N,5,1,0.452,2,422,447.861,4.323,5,0.37,0.64,1.0,0.5811630457131108,0.6618977451853882,0.7206839832773627,0.7124426016037283,0.6690468439448976
EOS-5-01226,Fc1cc(F)nc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)c1,HHAZEKDVCLHFQA-UHFFFAOYSA-N,5,1,0.541,24,964,457.853,4.215,5,0.365,0.66,0.976,0.5729473648139264,0.6912737303817422,0.6999605921458433,0.7365927626619149,0.6751936125008567
EOS-5-01227,N#Cc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)n1,OKLXVUKUPUSCMM-UHFFFAOYSA-N,5,1,0.512,24,912,430.428,3.295,5,0.417,0.66,1.0,0.6532965526694537,0.6230895757658831,0.49980296072921665,0.4648670413268453,0.5602640326228497
EOS-5-01229,COc1ccc(-c2nnc3cncc(OCCc4cc(F)nc(Cl)n4)n23)cc1-c1nccs1,YIOXBJPJIYFOTC-UHFFFAOYSA-N,5,1,0.538,11,777,483.916,4.127,5,0.251,0.68,1.0,0.8258601192515934,0.8333047769172778,0.4005123021040367,0.3475001713384963,0.6017943424028511
EOS-5-01230,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,QKDWYQVYWMHPOO-UHFFFAOYSA-N,5,1,0.562,58,28,419.445,3.465,5,0.389,0.66,1.0,0.7625505448564184,0.7519189911589336,0.34819409224864645,0.34102357617709544,0.5509218011102734
EOS-5-01231,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)ccn1,DQLYQZCGSVVTGW-UHFFFAOYSA-N,5,1,0.577,75,583,419.445,3.465,5,0.389,0.59,1.0,0.802378178329107,0.6763587142759235,0.45498937701322734,0.42103008703995615,0.5886890891645535
EOS-5-01232,CCNC(=O)c1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,HQGNPGKUIAKPQS-UHFFFAOYSA-N,5,1,0.544,90,636,457.321,3.864,4,0.453,0.8,1.0,0.6657614282777055,0.5011736686998834,0.4652439860187787,0.49543382907271605,0.5319032280172709
EOS-5-01233,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cccc(Cl)n3)n12,QFMNPHXVOFBMQH-UHFFFAOYSA-N,5,1,0.478,58,24,454.878,3.514,5,0.359,0.56,1.0,0.5703687204441094,0.6812332944966075,0.2893050510588719,0.3766277157151669,0.4793836954286889
EOS-5-01234,FC(F)Cc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,LRDDTIYKLBXGND-UHFFFAOYSA-N,5,1,0.541,68,811,417.807,3.059,4,0.456,0.67,1.0,0.7593208142005345,0.829920841614694,0.5309008978137207,0.5587005688438078,0.6697107806181892
EOS-5-01235,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,FMZBQDPTXZSYNW-UHFFFAOYSA-N,5,1,0.564,75,583,419.445,3.465,5,0.389,0.69,1.0,0.7965783702282229,0.6812418614214242,0.4040333082036872,0.3828987046809677,0.5661880611335754
EOS-5-01236,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cnnc(Cl)c3)n12,ZTSWSBKJUGGDLT-UHFFFAOYSA-N,5,1,0.494,53,271,455.866,2.909,5,0.356,0.55,1.0,0.570377287368926,0.6812504283462408,0.22384517853471317,0.3064903022411075,0.4454907991227468
EOS-5-01237,COc1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccc1-c1ncsn1,PPRGHHVOPBIULN-UHFFFAOYSA-N,5,1,0.522,4,248,435.444,3.432,5,0.374,0.64,1.0,0.6269446919333836,0.6042766088684806,0.407674251250771,0.3158282502912754,0.48868095058597766
EOS-5-01238,Clc1cc(-c2ncon2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,FVCVJNOEJFFVTR-UHFFFAOYSA-N,5,1,0.62,35,509,419.832,3.511,5,0.411,0.75,1.0,0.7446114042903159,0.7564251936125008,0.454997943938044,0.4892056747309986,0.6113100541429648
EOS-5-01239,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1csnn1,PVWVXTZIFDQPAI-UHFFFAOYSA-N,5,1,0.531,72,729,465.926,3.988,5,0.332,0.68,1.0,0.6130834075800151,0.6419967788362689,0.4998115276540333,0.44912960043862654,0.5510053286272361
EOS-5-01240,Cc1nc(-c2cc(F)cc(-c3nnc4cncc(OCCCc5ccc(Cl)cn5)n34)c2)cs1,TZKVTMXWNABUNH-UHFFFAOYSA-N,5,1,0.468,11,684,480.956,5.422,5,0.289,0.74,1.0,0.7564508943869509,0.7691556438900692,0.5513672812007402,0.6020834761154136,0.6697643238982934
EOS-5-01241,CCn1cnnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4)n23)c(F)c1,DGGGBCNVDDDCAS-UHFFFAOYSA-N,5,1,0.576,37,908,430.447,3.225,5,0.391,0.74,1.0,0.6501267904872867,0.6090997875402645,0.3335103831128778,0.3187752724282092,0.4778780583921595
EOS-5-01242,Cc1ncc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5F)n34)cc2)[nH]1,XOGQHUNRCCCLCL-UHFFFAOYSA-N,5,1,0.56,15,201,415.432,3.645,5,0.426,0.67,1.0,0.898053594681653,0.7060945103145775,0.60008738263313,0.5220084298540196,0.681560979370845
EOS-5-01243,COc1ncc(F)cc1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,QURIDAGBSYGANV-UHFFFAOYSA-N,5,1,0.44,2,422,435.444,3.432,5,0.4,0.69,1.0,0.6501353574121034,0.5468696456719896,0.3557244191624974,0.2612569392091015,0.453496590363923
EOS-5-01244,COc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1cnco1,BVLLWIWMEYESSD-UHFFFAOYSA-N,5,1,0.552,97,83,434.843,4.082,5,0.368,0.76,1.0,0.6240919059694332,0.5996076348433966,0.6478137207867863,0.5553766020149408,0.6067224659036393
EOS-5-01247,Cc1cnc(-c2cnc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)cn1,XGAFHZJZEBAROG-UHFFFAOYSA-N,5,1,0.466,65,720,429.419,2.502,5,0.401,0.58,1.0,0.6594390377630046,0.6042851757932972,0.2384260845726818,0.21453293125899528,0.4291708073469947
EOS-5-01248,COc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)c(F)n2)s1,JTBNDOLJMCZSCH-UHFFFAOYSA-N,5,1,0.58,58,28,449.471,3.474,5,0.348,0.53,0.946,0.567438832156809,0.6666695223082723,0.1795027756836406,0.13414947570420122,0.3869401514632308
EOS-5-01249,COc1cc(-c2nnc3cncc(COc4ccc(Cl)cn4)n23)ccc1-c1cscn1,OZOZFJMSMKEKBZ-UHFFFAOYSA-N,5,1,0.396,14,257,450.911,4.551,5,0.375,0.71,1.0,0.6100078815708313,0.5748492221232266,0.6063926392981975,0.5220169967788363,0.5783166849427729
EOS-5-01250,COc1cc(-c2nnc3cncc(OCCc4cccs4)n23)ccc1-c1cscn1,GPGCDDSZHAOCNR-UHFFFAOYSA-N,5,1,0.642,15,777,435.534,4.606,5,0.372,0.79,1.0,0.6749880063052567,0.5011822356247002,0.4076828181755877,0.3064988691659242,0.4725879823178672
EOS-5-01251,Cn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)c(Cl)n1,PYILBMULMXHXNW-UHFFFAOYSA-N,5,1,0.506,58,578,468.308,3.305,5,0.349,0.55,1.0,0.6269532588582003,0.6277157151668837,0.25610821739428413,0.347508738263313,0.4645714824206703
EOS-5-01253,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,HUSAENQSTLDHEJ-UHFFFAOYSA-N,5,1,0.536,37,795,420.433,2.86,5,0.413,0.66,1.0,0.6959769721060928,0.7942738674525393,0.17951134260845727,0.20543485710369405,0.4687992598176959
EOS-5-01254,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1F,OFZWOYRRWSNNHK-UHFFFAOYSA-N,5,1,0.483,59,109,422.42,4.167,5,0.423,0.75,1.0,0.7446199712151326,0.6230981426906997,0.8003820848468234,0.7862295250496881,0.738582430950586
EOS-5-01255,Cc1n[nH]c(-c2cc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)ncn2)n1,YJAPLDXUZHAZHB-UHFFFAOYSA-N,5,1,0.523,4,32,419.836,2.907,5,0.461,0.71,1.0,0.7111318621067781,0.7905044205332054,0.2420413268453156,0.28774587074223834,0.5078558700568844
EOS-5-01256,Clc1cnc(COc2cncc3nnc(-c4cncc(-c5ncc(Cl)cn5)c4)n23)nc1,ASIFDIPFMRPYTC-UHFFFAOYSA-N,5,1,0.444,51,491,452.265,3.319,5,0.396,0.67,1.0,0.5784216297717771,0.6325217599890344,0.2929202933315057,0.38953807141388525,0.47335043862655063
EOS-5-01257,Cc1nc(=N)nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)c(F)n2)[nH]1,ZQWLWQFXYNCHHC-UHFFFAOYSA-N,5,1,0.464,58,578,478.879,2.568,5,0.354,0.48,1.0,0.7506596532108835,0.6619063121102049,0.24546809677198272,0.2376293605647317,0.47391585566445066
EOS-5-01258,N#Cc1nc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)ccc1F,NCGQNAYUNLVGSB-UHFFFAOYSA-N,5,1,0.489,2,702,430.428,3.295,5,0.417,0.73,1.0,0.6442241792886025,0.6042937427181139,0.4791909396203139,0.4336063326708245,0.5403287985744637
EOS-5-01259,COc1ncc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1-c1cscn1,CBUKTHJMWXTVRM-UHFFFAOYSA-N,5,1,0.511,65,904,449.471,3.474,5,0.372,0.62,1.0,0.6158419573709821,0.5560448221506408,0.39675998903433624,0.30008224247824,0.46718225275854985
EOS-5-01261,Fc1ccc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)c5)n34)c2)nc1,XQCOHVRNTRNUBR-UHFFFAOYSA-N,5,1,0.542,59,109,416.391,4.106,5,0.429,0.74,1.0,0.8498218079638133,0.7338770474950311,0.8737320951271331,0.8745202522102666,0.832987800699061
EOS-5-01262,COc1cc(-c2nnc3cncc(OCCc4cnc(F)c(Cl)c4)n23)ccc1-c1ncsn1,PTNVOQVLRGJGFH-UHFFFAOYSA-N,5,1,0.526,35,604,483.916,4.127,5,0.318,0.61,1.0,0.8356521143170448,0.7819717634158042,0.5713453498732095,0.5156603385648687,0.6761573915427318
EOS-5-01263,Cn1nccc1-c1cnc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1C#N,PJWOOOSPYNQYPD-UHFFFAOYSA-N,5,1,0.463,65,904,441.43,2.614,5,0.394,0.64,1.0,0.6533051195942704,0.5011908025495169,0.5277225687067371,0.4741878555273799,0.539101586594476
EOS-5-01264,Fc1ccnc(COc2cncc3nnc(-c4ccc(F)c(-c5nncs5)c4)n23)c1,OIZZGZSPRWIYBU-UHFFFAOYSA-N,5,1,0.56,4,712,423.408,3.562,5,0.427,0.72,1.0,0.6561322047837708,0.7431464601466657,0.6296861078747172,0.6523713247892536,0.6703340243986019
EOS-5-01265,Fc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,JPIWRLKGSPVGQU-UHFFFAOYSA-N,5,1,0.654,19,73,437.435,3.605,5,0.375,0.63,1.0,0.572955931738743,0.6763672812007402,0.5277311356315537,0.5715338222191763,0.5871470426975534
EOS-5-01266,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,FBIZGJXBZYNLEY-UHFFFAOYSA-N,5,1,0.506,58,271,438.423,3.0,5,0.373,0.65,1.0,0.587091357686245,0.6374220409841683,0.3482026591734631,0.37663628263998356,0.487338085120965
EOS-5-01267,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4Cl)n23)ccc1-c1cnsc1,WYJKJVWXRWXZJT-UHFFFAOYSA-N,5,1,0.545,35,103,482.928,4.732,5,0.31,0.51,1.0,0.7881485162086218,0.7942824343773559,0.7853899664176547,0.7309985607566308,0.7747048694400658
EOS-5-01268,Fc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1,YBQACYOFRKOSLF-UHFFFAOYSA-N,5,1,0.488,59,109,422.42,4.167,5,0.423,0.79,1.0,0.735556164759098,0.6277242820917004,0.7934000411212391,0.7908213967514222,0.7368754711808649
EOS-5-01269,Clc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,IHPQQBUKPIQRRW-UHFFFAOYSA-N,5,1,0.581,72,386,435.9,3.98,5,0.398,0.73,1.0,0.5729644986635597,0.6812589952710575,0.40404187512850387,0.47419642245219656,0.5331154478788294
EOS-5-01270,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4Cl)n23)ccn1,UEUWNZRHKCKHJW-UHFFFAOYSA-N,5,1,0.523,58,271,471.333,4.028,5,0.342,0.54,1.0,0.610016448495648,0.6960112398053595,0.3857172229456514,0.5054742649578507,0.5493047940511274
EOS-5-01272,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,IDFRYKDNEJUYFL-UHFFFAOYSA-N,5,1,0.505,65,578,446.902,3.74,5,0.351,0.64,1.0,0.607309300253581,0.5654684394489754,0.28572407648550474,0.2850558563498047,0.43588941813446647
EOS-5-01273,CCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)nc1,CYSYWETUBLDJJL-UHFFFAOYSA-N,5,1,0.519,65,981,424.468,3.222,5,0.392,0.73,1.0,0.6959855390309094,0.627732849016517,0.1827496401891577,0.13624837228428482,0.4106791001302173
EOS-5-01274,O=C(COc1ccc(Cl)cc1)NCc1cncc2nnc(-c3ccc(Cl)cc3)n12,JYXKYFZBWNYGPY-UHFFFAOYSA-N,5,1,0.534,48,231,428.279,3.793,4,0.506,0.93,1.0,0.5987680762113632,0.7243848947981633,0.647822287711603,0.7417072167774655,0.6781706188746488
EOS-5-01275,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1cscn1,SJEZADOQUXFNFH-UHFFFAOYSA-N,5,1,0.505,87,307,465.926,3.988,5,0.355,0.65,0.995,0.6130919745048318,0.6091083544650813,0.31489445548625866,0.27910184360222057,0.4540491570145981
EOS-5-01277,COc1ncc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1-c1cscn1,FODLYGRSPFZDLD-UHFFFAOYSA-N,5,1,0.489,35,657,465.926,3.988,5,0.332,0.63,1.0,0.6158505242957988,0.5996162017682133,0.3819906106504009,0.32807038585429377,0.4813819306421767
EOS-5-01278,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,FHHKDDUGRDQOHP-UHFFFAOYSA-N,5,1,0.57,58,28,419.445,3.465,5,0.389,0.7,1.0,0.708193406894661,0.7942910013021726,0.31097937084504146,0.30009080940305666,0.5283886471112329
EOS-5-01279,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)ncn1,BOUHHCNNPACGMI-UHFFFAOYSA-N,5,1,0.5,37,832,438.423,3.0,5,0.373,0.63,1.0,0.5870999246110616,0.6231067096155164,0.45128846549242685,0.4681910081557124,0.5324215269686794
EOS-5-01280,COc1cc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)ccc1-c1csnn1,LTVBDZXYUMCVGF-UHFFFAOYSA-N,5,1,0.474,72,482,450.459,2.869,5,0.369,0.61,1.0,0.5645689123432253,0.6420053457610856,0.24204989377013228,0.19651668836954286,0.4112852100609965
EOS-5-01281,Clc1ccc(CCOc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)nn1,TYWSYBYXHRINMS-UHFFFAOYSA-N,5,1,0.517,58,583,436.888,3.375,5,0.399,0.69,1.0,0.5871084915358783,0.632530326913851,0.1859965046946748,0.23763792748954835,0.4108183126584881
EOS-5-01282,CCn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)ccc1F,BUABRILXBMWURG-UHFFFAOYSA-N,5,1,0.462,36,208,450.865,3.836,5,0.388,0.7,1.0,0.5615961894318415,0.647179768350353,0.44761325474607633,0.4681995750805291,0.5311471969022
EOS-5-01283,COc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)c1,IQEKDYBASFLBMQ-UHFFFAOYSA-N,5,1,0.494,75,420,419.376,2.963,5,0.41,0.67,1.0,0.815168597080392,0.6043023096429305,0.5309094647385375,0.4210386539647728,0.5928547563566582
EOS-5-01284,N#Cc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)n1,KOHJEQKECFPJHW-UHFFFAOYSA-N,5,1,0.457,2,422,430.428,3.295,5,0.417,0.71,1.0,0.6354345144267014,0.5996247686930299,0.4755242957987801,0.4491381673634432,0.5399304365704887
EOS-5-01285,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c1,KTQFQJUNSUZXHB-UHFFFAOYSA-N,5,1,0.618,24,912,420.885,4.542,5,0.415,0.75,1.0,0.7235539030909465,0.6960198067301762,0.587091357686245,0.6379360564731684,0.661150280995134
EOS-5-01286,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ncnn1C,NJTHOSJKQXOAQD-UHFFFAOYSA-N,5,1,0.51,15,771,446.446,2.751,5,0.352,0.68,1.0,0.6385186073607018,0.49163011445411553,0.32583441847714345,0.22901103419916385,0.4212485436227812
EOS-5-01288,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1F,TXDYZAAMQYTWCK-UHFFFAOYSA-N,5,1,0.586,90,133,426.839,2.96,4,0.509,0.82,1.0,0.7111404290315948,0.5283393872935371,0.6064012062230142,0.5650058255088753,0.6027217120142554
EOS-5-01289,COc1cc(-c2nnc3cncc(OCCCc4cccc(Cl)n4)n23)ccc1-c1ccsn1,ZUYUKAQLTHZIJG-UHFFFAOYSA-N,5,1,0.45,11,777,478.965,4.983,5,0.229,0.68,1.0,0.6990096634911932,0.7338856144198479,0.40769138510040437,0.39861901171955316,0.5598014186827496
EOS-5-01290,Fc1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,DSSRCWCXZVKCED-UHFFFAOYSA-N,5,1,0.602,87,143,418.457,4.07,5,0.387,0.72,1.0,0.7416301144541155,0.777491261736687,0.4330152148584744,0.43663902405592486,0.5971939037763004
EOS-5-01291,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)ccn1,FJLBCLRNHYWISJ-UHFFFAOYSA-N,5,1,0.58,72,889,419.445,3.465,5,0.389,0.75,1.0,0.7446285381399493,0.7243934617229799,0.5140583236241518,0.4954423959975327,0.6196306798711535
EOS-5-01292,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cnoc4)nc3F)n12,DVMWZPVIAHMTIH-UHFFFAOYSA-N,5,1,0.524,35,143,421.367,3.136,5,0.385,0.65,1.0,0.732720512644781,0.6569460626413542,0.5645003769446919,0.5387139332465218,0.6232202213693372
EOS-5-01293,Fc1ccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4F)n23)cn1,IBIYXLCOHMLUHF-UHFFFAOYSA-N,5,1,0.529,58,271,438.423,3.0,5,0.373,0.62,1.0,0.5842385717222945,0.6188746487560826,0.3819991775752176,0.3986275786443698,0.4959349941744911
EOS-5-01294,Fc1cnnc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)nc4F)n23)c1,XWBIVKOTRASHDH-UHFFFAOYSA-N,5,1,0.461,87,143,438.423,3.0,5,0.373,0.52,1.0,0.5616047563566582,0.6666780892330889,0.3221763415804263,0.37009115208004933,0.48013758481255575
EOS-5-01295,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)c(C#N)c1,NHPNVITYOQMOJN-UHFFFAOYSA-N,5,1,0.48,15,563,471.912,3.611,5,0.353,0.65,0.994,0.6184977040641492,0.6619148790350216,0.3149030224110753,0.35705229250908094,0.48809197450483177
EOS-5-01296,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,QWRMWQFNNOPHND-UHFFFAOYSA-N,5,1,0.61,58,28,419.445,3.465,5,0.389,0.64,1.0,0.7082019738194778,0.7774998286615037,0.21349633335617846,0.21997292851757932,0.47979276608868476
EOS-5-01297,Fc1ccnc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)c1,PAVWIRKRMRMWSR-UHFFFAOYSA-N,5,1,0.573,24,912,433.834,4.015,5,0.386,0.69,1.0,0.5842471386471112,0.6471883352751696,0.6864591186347748,0.7203755739839627,0.6595675416352546
EOS-5-01298,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ns4)n23)ccc1-c1cncs1,CSOLJMLCGOUATO-UHFFFAOYSA-N,5,1,0.529,35,103,470.967,4.655,5,0.342,0.69,1.0,0.5755859776574601,0.7290281680487972,0.34821122609827976,0.33464121718867795,0.4968666472483037
EOS-5-01299,Fc1cc(-c2nnsn2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,RUFWLQRDHQEGRD-UHFFFAOYSA-N,5,1,0.607,37,563,420.433,2.86,5,0.413,0.62,1.0,0.7111489959564115,0.7244020286477966,0.22758892467959702,0.2673737235282023,0.48262841820300184
EOS-5-01300,Cc1nc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1Cl,BUNLQZKRAMYCOS-UHFFFAOYSA-N,5,1,0.409,90,473,420.235,3.352,4,0.489,0.69,1.0,0.6990182304160099,0.7519275580837502,0.41822870262490575,0.5587091357686245,0.6069709067233227
EOS-5-01301,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,FWKRCKLCPZPIMR-UHFFFAOYSA-N,5,1,0.61,11,275,418.457,4.07,5,0.414,0.68,1.0,0.744637105064766,0.7603574121033514,0.5839729970529779,0.590184017545062,0.6697878829415393
EOS-5-01303,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)cnn4)n23)c(F)c1F,YRXVMDWNEDRSPR-UHFFFAOYSA-N,5,1,0.5,90,133,445.817,2.494,4,0.486,0.61,1.0,0.5931224727571791,0.5654770063737921,0.5033668014529504,0.4984836543074498,0.5401124837228428
EOS-5-01304,Fc1ccc(CNCc2cncc3nnc(-c4ccc(OCc5ccc(Cl)cc5)cc4)n23)cc1,MTNFYGUCCHTGFH-UHFFFAOYSA-N,5,1,0.523,79,397,473.939,5.453,5,0.324,0.9,1.0,0.6073178671783976,0.7199386608183127,0.9386094167637585,0.9379326297032418,0.8009496436159276
EOS-5-01305,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCCc3ccc(Cl)cn3)n12,LCKLNMYCVQNJBJ-UHFFFAOYSA-N,5,1,0.441,58,24,468.905,3.904,5,0.261,0.57,1.0,0.5811716126379275,0.6812675621958741,0.23843465149749846,0.3441762045096292,0.46126250771023236
EOS-5-01306,Fc1cc(-c2ncon2)cc(-c2nnc3cncc(OCCc4ccccn4)n23)c1F,NPRZPJSFMGJYED-UHFFFAOYSA-N,5,1,0.588,87,325,421.367,3.136,5,0.412,0.66,1.0,0.7506682201357001,0.6043108765677473,0.5410955383455555,0.532468645055171,0.6071358200260435
EOS-5-01307,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(OCc3ccc(Cl)nn3)n12,ALRBGPXUJNRKJU-UHFFFAOYSA-N,5,1,0.457,36,208,423.799,2.738,5,0.458,0.65,1.0,0.6385271742855184,0.7199472277431294,0.4895911863477486,0.5486944006579398,0.5991899972585841
EOS-5-01308,COc1cc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)ccc1-c1cscn1,BXJMFBNZFXBDNF-UHFFFAOYSA-N,5,1,0.479,72,777,483.916,4.127,5,0.34,0.64,1.0,0.7965869371530395,0.8105938592282914,0.47919950654513055,0.4555290932766774,0.6354773490507847
EOS-5-01309,COc1cc(-c2nnc3cncc(OCCc4ccc(C#N)nn4)n23)ccc1-c1nncs1,CCFNCNIPWCJRJG-UHFFFAOYSA-N,5,1,0.468,72,925,457.479,2.602,5,0.358,0.68,1.0,0.590158316770612,0.5748577890480433,0.17312041669522307,0.1276643136179837,0.36645020903296555
EOS-5-01310,Fc1ccc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c(F)c1,OGBZQNNAIYYQJN-UHFFFAOYSA-N,5,1,0.488,59,109,422.42,4.167,5,0.423,0.77,1.0,0.705126447810294,0.6420139126859022,0.7934086080460558,0.7908299636762388,0.7328447330546227
EOS-5-01311,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5cc(F)ncn5)ncn4)n23)c(F)c1,JGMTXXDFCZXLPB-UHFFFAOYSA-N,5,1,0.385,44,971,422.33,3.248,5,0.407,0.76,0.997,0.6687684188883558,0.7107120827907615,0.757504626139401,0.7648893153313686,0.7254686107874718
EOS-5-01312,COc1cc(-c2nnc3cncc(OCCc4nc(Cl)cnc4Cl)n23)ccc1-c1cocn1,ITJBMWZLOQPKGF-UHFFFAOYSA-N,5,1,0.479,15,777,484.303,4.173,5,0.336,0.64,1.0,0.8653022411075321,0.7012713316427935,0.4107754780344048,0.43029093276677405,0.6019099958878761
EOS-5-01313,Cc1nscc1-c1ccc(-c2nnc3cncc(OCCc4ncncc4F)n23)c(F)n1,HVLIXEIQXMIKAE-UHFFFAOYSA-N,5,1,0.448,58,24,452.45,3.308,5,0.362,0.59,1.0,0.5645774792680419,0.6140172023850319,0.24205846069494893,0.25536289493523406,0.4190040093208142
EOS-5-01314,CCc1nc(-c2nnc3cncc(OCc4cc(F)cc(F)c4)n23)ccc1-c1cnc(C)cn1,DYNFQNYYRFCAPF-UHFFFAOYSA-N,5,1,0.44,46,16,459.46,4.371,5,0.372,0.66,0.993,0.5901668836954287,0.5700003426769926,0.5777105750119937,0.5324772119799877,0.5675887533411006
EOS-5-01315,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ncc1-c1cnco1,SLHMGHOWGQNHQU-UHFFFAOYSA-N,5,1,0.467,18,840,449.858,3.52,5,0.344,0.6,1.0,0.6473254060722363,0.45189671715441027,0.46525255294359535,0.38954663833870196,0.48850532862723595
EOS-5-01316,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(F)nn4)n23)ccc1-c1cccnn1,OYJZBAHFTOZZIP-UHFFFAOYSA-N,5,1,0.425,72,224,457.429,2.116,5,0.407,0.77,1.0,0.6100250154204647,0.5237903502158865,0.17312898362003976,0.12339798505928312,0.35758558357891856
EOS-5-01318,COc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1-c1ccnn1C,NQEDGMNRCBZBQJ-UHFFFAOYSA-N,5,1,0.495,15,771,463.448,3.495,5,0.341,0.63,1.0,0.6185062709889658,0.537548831471455,0.6507436090740868,0.5054828318826674,0.5780703858542937
EOS-5-01319,COc1ncccc1COc1cncc2nnc(-c3cnnc(-c4cncc(F)c4)c3)n12,JFHIDZKSVBCVPS-UHFFFAOYSA-N,5,1,0.421,55,875,430.403,2.765,5,0.401,0.59,0.975,0.65014392433692,0.5375573983962717,0.407699952025221,0.31583681721609214,0.4778095229936262
EOS-5-01320,N#Cc1cc(-c2ncno2)cc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)c1,PSLVCSWRHSAESB-UHFFFAOYSA-N,5,1,0.463,15,482,429.375,2.264,5,0.394,0.62,1.0,0.626961825783017,0.590261119868412,0.37058803371941607,0.36029059008978137,0.48702539236515663
EOS-5-01321,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(F)cn4)n23)ccc1-c1cccnn1,MHBRNEYBMKJBKZ-UHFFFAOYSA-N,5,1,0.452,14,257,456.441,2.721,5,0.414,0.81,1.0,0.6185148379137825,0.5011993694743335,0.307355561647591,0.22554999657323008,0.4131549414022343
EOS-5-01322,Fc1cc(-c2cc(-c3nnc4cncc(OCc5cccnc5F)n34)ccn2)ncn1,CTFVQKOQFRAIES-UHFFFAOYSA-N,5,1,0.461,24,486,418.367,2.896,5,0.317,0.73,1.0,0.8076725378658077,0.6325388938386677,0.629694674799534,0.5810945103145775,0.6627501542046468
EOS-5-01323,Clc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,BNNJTOKGPWYFEZ-UHFFFAOYSA-N,5,1,0.57,37,832,418.848,3.246,5,0.451,0.68,1.0,0.7082105407442945,0.781980330340621,0.5103745459529847,0.5553851689397574,0.6389876464944144
EOS-5-01324,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4F)n23)c1F,JBXBSUUFRKYYOX-UHFFFAOYSA-N,5,1,0.448,58,24,456.413,3.139,5,0.359,0.58,1.0,0.5537917209238572,0.6325474607634843,0.4512970324172435,0.5021074635049003,0.5349359194023713
EOS-5-01325,COc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3cc(Cl)cnc3F)n12,AXVSMCWJTHKMQA-UHFFFAOYSA-N,5,1,0.478,58,710,483.916,4.127,5,0.318,0.64,0.999,0.7938112535124392,0.7942995682269892,0.3441248029607292,0.3248577890480433,0.5642733534370503
EOS-5-01326,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccnnc1OC(F)F,GUDXULQZIWAAPS-UHFFFAOYSA-N,5,1,0.376,78,830,441.417,3.631,5,0.468,0.63,1.0,0.5729730655883764,0.5902696867932287,0.4863528887670482,0.6409944486327188,0.5726475224453429
EOS-5-01327,Fc1cncc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1F,KXRNJQGURFHTNV-UHFFFAOYSA-N,5,1,0.494,24,199,423.408,3.562,5,0.427,0.63,1.0,0.7111575628812281,0.580203550133644,0.6890634637790419,0.657956959769721,0.6595953841409088
EOS-5-01328,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12,TZWURIYRKKTVCJ-UHFFFAOYSA-N,5,1,0.54,24,699,419.445,3.465,5,0.416,0.62,1.0,0.6718782125968062,0.806918648481941,0.25611678431910084,0.2701494071688027,0.5012657631416627
EOS-5-01329,Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)s2)cs1,SGXCILVCHYUMJZ-UHFFFAOYSA-N,5,1,0.438,58,578,454.968,4.955,5,0.337,0.73,1.0,0.6015694606264136,0.5237989171407031,0.31859536700705915,0.34418477143444587,0.4470371290521554
EOS-5-01330,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)nc3)n12,KYXIQXBMBNIKOU-UHFFFAOYSA-N,5,1,0.528,35,76,419.445,3.465,5,0.389,0.63,1.0,0.7173600164484957,0.7338941813446646,0.44762182167089304,0.42723254060722365,0.5815271400178191
EOS-5-01331,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)ncc1-c1cnco1,INDZDAWCBDHUMJ-UHFFFAOYSA-N,5,1,0.468,18,367,449.858,3.52,5,0.368,0.56,1.0,0.6324275238160509,0.4607634843396614,0.3967685559591529,0.35383112877801387,0.4609476732232198
EOS-5-01332,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1ccnn1C,GZUAWBOPGXVWAY-UHFFFAOYSA-N,5,1,0.537,15,777,445.458,3.356,5,0.355,0.7,1.0,0.6241004728942499,0.4824035364265643,0.554854019601124,0.3986361455691865,0.5149985436227811
EOS-5-01333,N#Cc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5cnsn5)c4)n23)n1,JDMMHBFZRBFICM-UHFFFAOYSA-N,5,1,0.467,7,486,431.416,2.69,5,0.412,0.62,1.0,0.6100335823452814,0.5854293742718114,0.3705966006442327,0.3670241929956823,0.48327093756425193
EOS-5-01334,COc1ccc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc1-c1nc[nH]n1,HYUNZCGNOVWMIL-UHFFFAOYSA-N,5,1,0.5,4,31,434.847,3.212,5,0.405,0.61,1.0,0.5931310396819958,0.5802121170584607,0.4219810156946063,0.360299157014598,0.48890583236241514
EOS-5-01335,COc1cc(-c2nnc3cncc(COc4ccnc(Cl)n4)n23)ccc1-c1nccs1,SRLXUWJFSZWWRH-UHFFFAOYSA-N,5,1,0.373,14,257,451.899,3.946,5,0.358,0.75,1.0,0.5755945445822768,0.5654855732986087,0.3632290453018984,0.27287368926050304,0.4442957131108218
EOS-5-01336,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(F)cn4)n23)ccc1-c1cscn1,JQBYIHSVVORDPO-UHFFFAOYSA-N,5,1,0.461,14,257,461.482,3.388,5,0.413,0.75,1.0,0.6185234048385991,0.5058169419505174,0.3186039339318758,0.23177815091494758,0.418680607908985
EOS-5-01337,COc1cc(-c2nnc3cncc(CNC(=O)c4cccc(F)n4)n23)ccc1-c1cscn1,AQMMZPMWIGFMFD-UHFFFAOYSA-N,5,1,0.442,14,257,461.482,3.388,5,0.386,0.84,1.0,0.6212648207799328,0.5012079363991502,0.2965098348296895,0.20831334384209443,0.4068239839627168
EOS-5-01338,Cc1ccnc(OCc2cncc3nnc(-c4ccc(-c5nccc(C)n5)c(F)c4)n23)c1,WRIHLPZXCFOSRN-UHFFFAOYSA-N,5,1,0.392,14,351,427.443,3.978,5,0.419,0.77,1.0,0.6241090398190665,0.6188832156808992,0.5242015626070866,0.41756904941402234,0.5461907168802687
EOS-5-01339,CCn1ncnc1-c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)c(Cl)c1,QCFZIEVRIYMNSZ-UHFFFAOYSA-N,5,1,0.522,37,161,464.892,3.879,5,0.36,0.71,1.0,0.5703858542937427,0.623115276540333,0.42198958261942293,0.47717771228839695,0.5231671064354739
EOS-5-01341,COc1cc(-c2nnc3cncc(CNCc4ccc(F)c(F)c4)n23)ccc1-c1cnco1,ALTLLLPKWHZXOO-UHFFFAOYSA-N,5,1,0.43,14,257,448.433,4.023,5,0.402,0.75,1.0,0.5842557055719279,0.5419950654513056,0.8596223699540813,0.7795130559934206,0.6913465492426838
EOS-5-01342,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)ncn3)n12,IZQNXNQVQWGZRD-UHFFFAOYSA-N,5,1,0.453,58,24,455.866,2.909,5,0.281,0.56,1.0,0.5408470975258721,0.6471969021999863,0.20293331505722706,0.2728822561853197,0.4159648927421013
EOS-5-01343,COCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)cn1,VCIZTLUCQMQYEK-UHFFFAOYSA-N,5,1,0.521,65,981,474.912,3.46,5,0.312,0.64,1.0,0.6212733877047495,0.6812761291206908,0.38572578987046807,0.3441933383592626,0.5081171612637927
EOS-5-01344,Fc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4cnns4)c3)n12,ASLQHCHMRHEDOQ-UHFFFAOYSA-N,5,1,0.519,59,332,439.863,4.076,5,0.407,0.7,1.0,0.5512473442533068,0.632556027688301,0.6811733260228908,0.7494688506613666,0.6536113871564663
EOS-5-01345,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccnc(F)c3Cl)n12,GKBHEDTYIBINDE-UHFFFAOYSA-N,5,1,0.495,58,271,472.868,3.653,5,0.345,0.63,0.987,0.5703944212185594,0.7384774861215818,0.5378658076896717,0.605218970598314,0.6129891714070317
EOS-5-01346,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,ZFENFRIVIUKAAE-UHFFFAOYSA-N,5,1,0.512,58,271,420.433,2.86,5,0.386,0.62,1.0,0.6928671783976423,0.7153639229662121,0.25293845521211705,0.2490662051949832,0.47755894044273867
EOS-5-01349,Fc1cc(-c2nncs2)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,KIBCCECKEHIXKM-UHFFFAOYSA-N,5,1,0.541,72,208,440.851,3.471,5,0.409,0.65,1.0,0.5356726749366048,0.6619234459598382,0.41823726954972246,0.492341169213899,0.5270436399150161
EOS-5-01350,Fc1cc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)ccc1Cl,QFADOHCKRRENBV-UHFFFAOYSA-N,5,1,0.653,23,385,405.767,3.879,4,0.471,0.75,1.0,0.9829689534644644,0.9886659584675485,0.9399801247344254,0.9522393941470769,0.9659636077033787
EOS-5-01351,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,XZRJFVIUHUHOOR-UHFFFAOYSA-N,5,1,0.61,58,28,419.445,3.465,5,0.389,0.6,1.0,0.701879583304777,0.7384860530463985,0.27465560962236996,0.27609485299157016,0.4977790247412789
EOS-5-01354,COc1ncc(-c2nnc3cncc(OCCc4cccnc4F)n23)cc1-c1ncon1,XWUOLFHPZIJXON-UHFFFAOYSA-N,5,1,0.489,65,657,434.391,2.4,5,0.352,0.67,1.0,0.6501524912617367,0.465081214447262,0.19261017065314234,0.1362569392091015,0.3610252038928107
EOS-5-01356,Fc1ccnc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4F)n23)c1,HOEWDBSMIPCDES-UHFFFAOYSA-N,5,1,0.5,58,24,438.423,3.0,5,0.373,0.55,0.996,0.5538002878486739,0.6188917826057159,0.32218490850524295,0.3735093550818998,0.4670965835103831
EOS-5-01357,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccccc5)cn4)n23)c(F)c1F,ZSBYDMDTFWJMRS-UHFFFAOYSA-N,5,1,0.337,62,586,458.428,4.283,5,0.422,0.77,0.985,0.5729816325131931,0.5654941402234254,0.7717085874854362,0.7067113289013776,0.654223922280858
EOS-5-01359,Fc1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)cc(-c2nccs2)n1,WUUMRGVANLOKJP-UHFFFAOYSA-N,5,1,0.548,24,912,439.863,4.076,5,0.381,0.65,1.0,0.5434257418956892,0.637430607908985,0.4723202659173463,0.5187701322733191,0.5429866869988349
EOS-5-01360,COc1cc(-c2nnc3cncc(OCC4CCOCC4)n23)ccc1-c1ccc(F)nn1,XHLSNIKEKFKOCO-UHFFFAOYSA-N,5,1,0.473,5,548,436.447,3.201,5,0.455,0.73,1.0,0.6185319717634158,0.5012165033239668,0.12985744637105065,0.22274004523336302,0.3680864916729491
EOS-5-01361,CCn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cnccn4)n23)cc1F,PPVAYCBCQLKSQN-UHFFFAOYSA-N,5,1,0.489,20,658,430.447,3.225,5,0.391,0.68,1.0,0.6354430813515181,0.5238074840655198,0.3745802206839833,0.32486635597285995,0.46467428551847023
EOS-5-01362,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,ADXJKWYWOXEPJU-UHFFFAOYSA-N,5,1,0.506,58,271,438.423,3.0,5,0.373,0.59,0.999,0.5616133232814748,0.5996333356178466,0.39677712288396955,0.43361489959564115,0.4979096703447331
EOS-5-01363,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3Cl)n12,HSHREZSOZILUMM-UHFFFAOYSA-N,5,1,0.484,58,24,454.878,3.514,5,0.359,0.59,1.0,0.520115139469536,0.6715783702282229,0.27053491878555275,0.3766448495648002,0.459718319512028
EOS-5-01364,COc1cnc(Cl)nc1COc1cncc2nnc(-c3cccc(-c4ncno4)c3)n12,YZIAQMGZRHHMPZ-UHFFFAOYSA-N,5,1,0.433,7,248,436.819,2.872,5,0.366,0.66,1.0,0.610042149270098,0.509929065862518,0.22051264478102942,0.1773696114042903,0.379463367829484
EOS-5-01368,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ncn4)n23)cc1F,HATLXWBLNCWCOI-UHFFFAOYSA-N,5,1,0.511,90,636,427.827,2.355,4,0.47,0.82,1.0,0.6718867795216229,0.5012250702487835,0.4005208690288534,0.3570608594338976,0.4826733945582894
EOS-5-01369,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,OLXBNHFGODIPGY-UHFFFAOYSA-N,5,1,0.506,58,271,438.423,3.0,5,0.373,0.6,1.0,0.5589147419642245,0.5996419025426633,0.4040504420533205,0.4302994996915907,0.49822664656294974
EOS-5-01371,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,ZXKKAHHAJYSSHJ-UHFFFAOYSA-N,5,1,0.54,24,699,419.445,3.465,5,0.416,0.68,1.0,0.6687769858131725,0.7734219724487698,0.31861250085669246,0.32487492289767667,0.5214215955040779
EOS-5-01373,COc1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccc1-c1ccnn1C,ILVNTONLAIVPDZ-UHFFFAOYSA-N,5,1,0.547,15,729,445.458,3.356,5,0.355,0.73,1.0,0.6158590912206154,0.4607720512644781,0.5967462819546295,0.4366475909807416,0.5275062538551162
EOS-5-01374,NCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nc1,VUGLFECOCULJBP-UHFFFAOYSA-N,5,1,0.516,65,262,459.901,2.772,5,0.365,0.72,1.0,0.6073264341032143,0.48726954972243164,0.2746641765471866,0.2791104105270372,0.41209264272496743
EOS-5-01375,O=C(CO)NCc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,RJELOTGGRCLBIK-UHFFFAOYSA-N,5,1,0.527,90,636,473.32,2.723,4,0.405,0.73,1.0,0.7173685833733123,0.44765608937015966,0.4792080734699472,0.502116030429717,0.536587194160784
EOS-5-01376,COc1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1cnn(C)c1,FUEXTXMWZLYPRS-UHFFFAOYSA-N,5,1,0.473,4,83,456.441,3.185,5,0.383,0.66,1.0,0.533265369063121,0.6277414159413337,0.6836920019189912,0.5086440271400178,0.588335703515866
EOS-5-01377,Fc1cnc(F)c(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1,RLSDAZDZZRIRBB-UHFFFAOYSA-N,5,1,0.449,2,422,423.408,3.562,5,0.399,0.64,1.0,0.6810362552258241,0.5854379411966281,0.6152936741827154,0.5901925844698787,0.6179901137687616
EOS-5-01378,COc1cc(-c2nnc3cncc(CCc4ccc(F)cn4)n23)ccc1-c1cnsc1,FBVJCSCAEYVRLL-UHFFFAOYSA-N,5,1,0.419,14,257,432.484,4.243,5,0.399,0.63,1.0,0.6241176067438832,0.5058255088753341,0.5645089438695086,0.5121821670893016,0.5516585566445069
EOS-5-01379,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,JYKIIOUUCBUDRK-UHFFFAOYSA-N,5,1,0.6,75,583,419.445,3.465,5,0.416,0.71,1.0,0.7235624700157631,0.6715869371530395,0.3930333767390857,0.37351792200671646,0.5404251764786512
EOS-5-01380,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5cnsc5)nc4Cl)n23)n1,KRTVOYIYYYSBBY-UHFFFAOYSA-N,5,1,0.506,4,31,439.863,4.076,5,0.381,0.6,1.0,0.5255294359536701,0.661932012884655,0.5513758481255568,0.5991278870536633,0.5844912960043863
EOS-5-01381,COc1cc(-c2nnc3cncc(OCc4nc(C#N)ccc4F)n23)ccc1-c1csnn1,APFLYNVPKPMTBM-UHFFFAOYSA-N,5,1,0.438,4,224,460.454,3.303,5,0.375,0.68,1.0,0.5332739359879378,0.6420224796107189,0.544565142896306,0.4461397436776095,0.541500325543143
EOS-5-01382,Fc1cc(COc2cncc3nnc(-c4ccc(F)c(-c5cscn5)n4)n23)ccn1,GBCWOPVWSFNUMU-UHFFFAOYSA-N,5,1,0.416,24,565,423.408,3.562,5,0.399,0.61,1.0,0.6959941059557261,0.5515300527722569,0.5513844150503735,0.5553937358645741,0.5885755774107326
EOS-5-01383,CCOCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,GMFFNMXIMHMOQJ-UHFFFAOYSA-N,5,1,0.432,90,473,445.31,4.046,4,0.405,0.7,0.773,0.5201237063943527,0.6523113563155369,0.39678568980878626,0.4771862792132136,0.5116017579329724
EOS-5-01384,Clc1ccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4Cl)n23)nc1,FKMIREJIANXERX-UHFFFAOYSA-N,5,1,0.505,58,24,471.333,4.028,5,0.342,0.55,1.0,0.5645860461928586,0.6763758481255568,0.3109879377698581,0.452445000342677,0.5010987081077376
EOS-5-01385,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3nccc(Cl)c3F)n12,QIDYBKQQRYMIDE-UHFFFAOYSA-N,5,1,0.448,58,24,472.868,3.653,5,0.345,0.59,1.0,0.5756031115070934,0.6862363785895415,0.45130559934206016,0.5519412651634569,0.566271588650538
EOS-5-01386,Cn1c(O)cnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cn1,JXTNZVJNEOFSPQ-UHFFFAOYSA-N,5,1,0.5,65,981,432.419,2.448,5,0.407,0.63,0.987,0.6131005414296484,0.5191813446645193,0.2454766636967994,0.19652525529435955,0.3935709512713316
EOS-5-01387,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ncncc3F)n12,PFKXHGBMHFTEBI-UHFFFAOYSA-N,5,1,0.506,37,832,438.423,3.0,5,0.399,0.63,1.0,0.5589233088890412,0.5802206839832773,0.4005294359536701,0.4491467342882599,0.4972050407785621
EOS-5-01388,COc1cc(-c2nnc3cncc(CCc4cncc(F)c4)n23)ccc1-c1cccnn1,HGKIOAXHSNJYLI-UHFFFAOYSA-N,5,1,0.391,14,925,427.443,3.576,5,0.409,0.7,1.0,0.6501610581865533,0.5238160509903365,0.5445737098211226,0.48921424165581523,0.551941265163457
EOS-5-01389,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)n1,LULAWPBLEMUHQG-UHFFFAOYSA-N,5,1,0.524,24,28,456.318,4.591,5,0.357,0.59,1.0,0.5125162771571516,0.6666866561579056,0.49290658625179906,0.5934051812761291,0.5663786752107464
EOS-5-01390,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)cn4)n23)ccn1,IPRRNYIAWBFURH-UHFFFAOYSA-N,5,1,0.471,18,578,419.445,3.465,5,0.389,0.74,1.0,0.7141816873415119,0.6763844150503735,0.43675039407854155,0.4112894935234048,0.5596514974984579
EOS-5-01391,N#Cc1ccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)nc1,YOQIYPNHUVBJFB-UHFFFAOYSA-N,5,1,0.547,24,486,446.883,3.809,5,0.374,0.64,0.993,0.514983551504352,0.6569546295661709,0.5610736070180248,0.57468645055171,0.5769245596600644
EOS-5-01392,Fc1cccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4F)n23)n1,QAQCCFJYGAYVNU-UHFFFAOYSA-N,5,1,0.478,58,24,438.423,3.0,5,0.373,0.58,1.0,0.5434343088205058,0.6091169213898979,0.29292886025632237,0.3315142896305942,0.44424859502433006
EOS-5-01393,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccnc(Cl)n3)n12,CZHGMYNXVUGAEQ-UHFFFAOYSA-N,5,1,0.468,58,24,455.866,2.909,5,0.281,0.53,1.0,0.5230450277568364,0.6374391748338016,0.16655815228565554,0.22555856349804673,0.3881502295935851
EOS-5-01394,COc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ncc(C)s1,UYMJNOOPFPXLMN-UHFFFAOYSA-N,5,1,0.554,15,777,478.965,4.902,5,0.328,0.73,1.0,0.6687855527379891,0.6763929819751902,0.4330237817832911,0.3603077239394147,0.5346275101089712
EOS-5-01395,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cscn1,DQYGEQBQTQLDPA-UHFFFAOYSA-N,5,1,0.38,14,257,434.456,4.037,5,0.373,0.8,1.0,0.5901754506202453,0.5328370228222877,0.6593276677403879,0.5289476389555205,0.5778219450346104
EOS-5-01396,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)ccn1,NQKWOFQWEGHJCM-UHFFFAOYSA-N,5,1,0.506,73,980,453.293,3.868,5,0.399,0.61,1.0,0.5704029881433761,0.5191899115893359,0.5411041052703721,0.6020920430402302,0.5581972620108286
EOS-5-01397,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c1,VXOCCMRVFNGTKK-UHFFFAOYSA-N,5,1,0.746,23,627,406.314,4.108,4,0.37,0.83,1.0,0.9792080734699472,0.9797477897333973,0.990739154273182,0.9926667123569324,0.9855904324583646
EOS-5-01398,Fc1ccnc(F)c1COc1cncc2nnc(-c3cncc(-c4ccccn4)c3)n12,MRSULHXCRLYQEG-UHFFFAOYSA-N,5,1,0.435,2,422,417.379,3.501,5,0.404,0.64,1.0,0.7881570831334385,0.6472054691248029,0.7383918168734152,0.722894249880063,0.7241621547529299
EOS-5-01399,COc1cc(-c2nnc3cncc(COc4ccncc4F)n23)ccc1-c1cncs1,XFRHGCHKYIAVSY-UHFFFAOYSA-N,5,1,0.417,14,767,434.456,4.037,5,0.399,0.79,1.0,0.587117058460695,0.5375659653210884,0.6811818929477075,0.5519498320882736,0.5894536872044411
EOS-5-01400,Fc1nccc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1F,UZSQEMBVKQKPOC-UHFFFAOYSA-N,5,1,0.433,2,422,423.408,3.562,5,0.399,0.66,0.997,0.6718953464464396,0.57486635597286,0.6507521759989034,0.6115841957370982,0.6272745185388253
EOS-5-01402,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cn4)n23)c(F)c1F,XTRADZSMXBHYRC-UHFFFAOYSA-N,5,1,0.315,74,26,460.404,3.073,5,0.425,0.71,1.0,0.5674473990816257,0.5283479542183538,0.5242101295319033,0.39539784798848604,0.5038508327050921
EOS-5-01403,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(F)cn4)n23)ccc1-c1cnco1,WEXWWNXNARJSRP-UHFFFAOYSA-N,5,1,0.47,14,257,445.414,2.919,5,0.424,0.74,1.0,0.5931396066068124,0.4650897813720787,0.3592454252621479,0.25216743197861696,0.417410561304914
EOS-5-01404,Clc1ccc(-c2nnc3cncc(OCCc4cccc(-n5ccnn5)n4)n23)cc1,APUMAHUCYCJFKK-UHFFFAOYSA-N,5,1,0.576,15,563,418.848,3.042,5,0.418,0.8,1.0,0.6657699952025221,0.7691642108148858,0.3001422109519567,0.3859056952916181,0.5302455280652457
EOS-5-01405,Fc1nc(-c2ccsn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,RPWNXMOUUKXKTH-UHFFFAOYSA-N,5,1,0.562,58,28,419.445,3.465,5,0.389,0.57,1.0,0.6899715578096086,0.6912822973065589,0.3294924953738606,0.3346497841134946,0.5113490336508807
EOS-5-01406,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4cnsc4)nc3)n12,ODIPXYLJTQXQFW-UHFFFAOYSA-N,5,1,0.554,65,904,419.445,3.465,5,0.416,0.61,1.0,0.6749965732300733,0.719955794667946,0.5033753683777671,0.4832773627578644,0.5954012747584128
EOS-5-01407,COc1cc(-c2nnc3cncc(OCC4Oc5cccnc5O4)n23)ccc1-c1cccnc1,NFEVQPYSEFBIIE-UHFFFAOYSA-N,5,1,0.443,35,103,454.446,3.433,6,0.381,0.54,1.0,0.5960009594955795,0.45631725035981086,0.6920361866904257,0.49849222123226644,0.5607116544445206
EOS-5-01408,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3nccs3)n12,BKBTZSNGPPCVEJ-UHFFFAOYSA-N,5,1,0.595,72,386,425.474,3.527,5,0.411,0.74,1.0,0.6015780275512302,0.6325645946131176,0.22052121170584607,0.2728908231101364,0.4318886642450826
EOS-5-01409,Clc1cc(COc2cncc3nnc(-c4cccc(-c5cscn5)c4)n23)ccn1,NWIYTNNHEJQDAI-UHFFFAOYSA-N,5,1,0.494,97,666,420.885,4.542,5,0.388,0.71,1.0,0.6657785621273388,0.6619405798094716,0.6920447536152423,0.7067198958261942,0.6816209478445617
EOS-5-01410,Fc1ccc(Cl)nc1COc1cncc2nnc(-c3ccnc(-c4ncon4)c3)n12,IAPONKDCUGFJOS-UHFFFAOYSA-N,5,1,0.477,73,420,424.783,3.003,5,0.392,0.68,1.0,0.6354516482763347,0.5802292509080941,0.3857343567952848,0.43665615790555823,0.509517853471318
EOS-5-01411,Cc1cnc(-c2ccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)cn2)cn1,CDMMEQSRAKMEKM-UHFFFAOYSA-N,5,1,0.494,55,786,430.859,3.579,5,0.39,0.78,1.0,0.5408556644506888,0.6569631964909876,0.37060516756904943,0.3538396957028305,0.4805659310533891
EOS-5-01412,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-n1cnc(C)c1,WMLVNAOXPJMACF-UHFFFAOYSA-N,5,1,0.521,15,771,461.913,3.964,5,0.362,0.61,1.0,0.5960095264203962,0.4737680762113632,0.5208261942293194,0.4112980604482215,0.500475464327325
EOS-5-01413,COc1cc(-c2nnc3cncc(CNC(=O)c4ncccc4F)n23)ccc1-c1cscn1,CDERHWWGKJIRHN-UHFFFAOYSA-N,5,1,0.465,14,257,461.482,3.388,5,0.413,0.74,1.0,0.5704115550681927,0.5191984785141526,0.2671167157837023,0.202470701117127,0.3897993626207936
EOS-5-01414,CCc1cnc(COc2cncc3nnc(-c4ccc(F)c(-c5nccn5CC)c4)n23)cn1,BNIFYHLZKRGCGD-UHFFFAOYSA-N,5,1,0.452,7,815,444.474,3.745,5,0.377,0.74,1.0,0.5408642313755054,0.5609793708450415,0.25988623123843463,0.1993866081831266,0.39027911041052704
EOS-5-01415,COc1cc(-c2nnc3cncc(CNC(=O)c4cncc(F)n4)n23)ccc1-c1cscn1,UOTYTDGUIAWAPA-UHFFFAOYSA-N,5,1,0.451,14,257,462.47,2.783,5,0.409,0.77,1.0,0.5871256253855116,0.49163868137893224,0.18275820711397436,0.12560825166198342,0.34678269138510043
EOS-5-01416,Fc1cc(Cl)nc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1,BCUQDHKQPSBMRB-UHFFFAOYSA-N,5,1,0.568,24,912,439.863,4.076,5,0.381,0.65,1.0,0.5306610239188541,0.5949386608183127,0.5870999246110616,0.6205280652456994,0.5833069186484819
EOS-5-01417,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCc5cccnc5F)n34)c2)c1,WRFQBQIYWUQOHR-UHFFFAOYSA-N,5,1,0.461,2,422,417.379,3.501,5,0.404,0.68,1.0,0.7682818175587691,0.6523199232403536,0.7738760194640532,0.7571019806730176,0.7378949352340484
EOS-5-01418,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(F)c4)n23)ccc1-c1nnco1,VUCBNXLYYFNSOG-UHFFFAOYSA-N,5,1,0.376,14,471,435.394,3.74,5,0.43,0.85,1.0,0.5784301966965938,0.5146665752861352,0.7336714412994312,0.6260365979028168,0.6132012027962442
EOS-5-01419,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)cc1F,OCFWFZWPEACGGJ-UHFFFAOYSA-N,5,1,0.346,62,648,460.494,4.089,5,0.425,0.88,1.0,0.5756116784319101,0.49666746624631625,0.6357257898704681,0.4862757864436982,0.5485701802480981
EOS-5-01420,Cc1nc(Oc2ncccn2)ccc1-c1cncc2nnc(-c3ccc(Cl)c(C#N)c3)n12,LNMDJDFLJSZRBO-UHFFFAOYSA-N,5,1,0.315,96,216,440.854,4.269,5,0.407,0.69,1.0,0.5149921184291687,0.6277499828661504,0.672786306627373,0.6231923788636831,0.6096801966965938
EOS-5-01421,COc1cc(-c2nnc3cncc(OCCc4ncncc4F)n23)ccc1-c1csnn1,IABNUUJYBYLKJL-UHFFFAOYSA-N,5,1,0.465,15,771,450.459,2.869,5,0.369,0.67,1.0,0.5383369885545884,0.5515386196970735,0.2561253512439175,0.21454149818381194,0.39013561441984784
EOS-5-01422,COc1ncc(-c2nnc3cncc(OCc4ncc(Cl)cn4)n23)cc1-c1nccs1,ICQAHPPCMHSVJB-UHFFFAOYSA-N,5,1,0.418,51,196,452.887,3.341,5,0.382,0.63,0.999,0.5487201014323898,0.5328455897471044,0.12682475498595025,0.10941676375848125,0.32945180248098144
EOS-5-01424,Fc1cnncc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,GZJVQWPZRPMPPV-UHFFFAOYSA-N,5,1,0.512,53,271,439.411,2.394,5,0.368,0.56,0.998,0.5255380028784867,0.604319443492564,0.25989479816325134,0.3031235007881571,0.4232189363306148
EOS-5-01425,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1ccc(C)nn1,NFFIVCQMNZZISS-UHFFFAOYSA-N,5,1,0.434,31,690,472.94,4.184,5,0.325,0.62,0.923,0.5756202453567267,0.6325731615379343,0.2313755054485642,0.22556713042286342,0.4162840106915222
EOS-5-01426,Fc1nc(-c2ncsn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,JYVJMMMOFGMDHN-UHFFFAOYSA-N,5,1,0.542,65,262,420.433,2.86,5,0.386,0.65,1.0,0.6687941196628059,0.6619491467342883,0.17635014735110685,0.19393804399972586,0.4252578644369817
EOS-5-01427,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cc(Cl)cnn3)n12,HMOIGFCFWOFNJA-UHFFFAOYSA-N,5,1,0.456,53,24,455.866,2.909,5,0.356,0.44,1.0,0.5001028030978,0.6523284901651704,0.1731375505448564,0.27289939003495306,0.39961705846069495
EOS-5-01428,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-c1ccnn1C,LGKHJEYBYHWHPF-UHFFFAOYSA-N,5,1,0.537,15,982,445.458,3.356,5,0.379,0.68,1.0,0.5931481735316291,0.44300424919470904,0.6064097731478308,0.45245356726749364,0.5237539407854157
EOS-5-01429,COCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,HJERUKGTMNXKJW-UHFFFAOYSA-N,5,1,0.441,90,473,431.283,3.656,4,0.441,0.76,0.997,0.5408727983003221,0.6374477417586183,0.4476303885957097,0.5324857789048043,0.5396091768898637
EOS-5-01430,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)c1,HGJNYDVYNOLGPM-UHFFFAOYSA-N,5,1,0.415,2,905,437.826,2.748,5,0.386,0.66,1.0,0.5616218902062915,0.5238246179151532,0.3967942567336029,0.3895552052635186,0.4679489925296415
EOS-5-01431,Cn1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)c1,RYPBRBQAGZCFKX-UHFFFAOYSA-N,5,1,0.511,65,904,416.42,2.742,5,0.42,0.7,1.0,0.7564594613117676,0.7244105955726132,0.4258018641628401,0.3637344938660818,0.5676016037283256
EOS-5-01432,Fc1cc(F)nc(COc2cncc3nnc(-c4cc(Cl)nc(-c5nnco5)c4)n23)c1,ZHYOIRZQZIAUQV-UHFFFAOYSA-N,5,1,0.5,4,964,442.773,3.142,5,0.378,0.67,0.717,0.5125248440819683,0.6140257693098485,0.5577753409636077,0.6052275375231307,0.5723883729696388
EOS-5-01433,CCn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)c(F)n1,MDIYDECDOASFPL-UHFFFAOYSA-N,5,1,0.495,65,262,430.447,3.225,5,0.366,0.62,1.0,0.6185405386882324,0.48241210335138096,0.21013809882804468,0.1856195600027414,0.37417757521759987
EOS-5-01434,Cc1ncc(F)c(COc2cncc3nnc(-c4cccc(-c5csc(C)n5)c4)n23)n1,YUQFBKMYESUYMD-UHFFFAOYSA-N,5,1,0.473,4,506,433.472,4.04,5,0.413,0.72,1.0,0.5645946131176752,0.5468782125968062,0.30015077787677336,0.24346343636488246,0.4137717599890343
EOS-5-01435,CCc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1Cl,MZKSGIHGSVZGNY-UHFFFAOYSA-N,5,1,0.536,90,473,415.284,4.072,4,0.473,0.7,1.0,0.7506767870605168,0.8144661092454253,0.4584075800150778,0.5617760948529916,0.646331642793503
EOS-5-01436,COc1cc(-c2nnc3cncc(CNC(=O)c4cnc(F)cn4)n23)ccc1-c1cccnn1,AKRNZAYQOWTOSR-UHFFFAOYSA-N,5,1,0.429,85,257,457.429,2.116,5,0.407,0.81,1.0,0.5729901994380098,0.47840278253718044,0.18600507161949148,0.12561681858680007,0.3407537180453704
EOS-5-01437,COc1nc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3cccnc3F)n12,UUZSHXFCSLSBSB-UHFFFAOYSA-N,5,1,0.467,58,456,446.446,2.751,5,0.352,0.64,0.985,0.5871341923103283,0.44301281611952575,0.26712528270851893,0.17467959701185662,0.3679879720375574
EOS-5-01438,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(F)cn4)n23)ccc1-c1ccsc1,VSYDVDIDPRJDKE-UHFFFAOYSA-N,5,1,0.47,14,257,460.494,3.993,5,0.412,0.73,1.0,0.5756288122815434,0.48242067027619767,0.465261119868412,0.38290727160578436,0.4765544685079844
EOS-5-01439,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cn4)n23)cc1F,YIDQGHJTIXNKOE-UHFFFAOYSA-N,5,1,0.326,74,802,442.414,2.934,5,0.441,0.81,1.0,0.5616304571311083,0.4966760331711329,0.3930419436639024,0.267382290453019,0.42968268110479063
EOS-5-01440,Fc1ccnc(F)c1COc1cncc2nnc(-c3cncc(-c4nncs4)c3)n12,WSFKNQKUOAOHFA-UHFFFAOYSA-N,5,1,0.433,2,875,424.396,2.957,5,0.397,0.63,1.0,0.6413114248509355,0.5515471866218902,0.4929151531766157,0.49234973613871563,0.5445308751970392
EOS-5-01441,FC(F)Oc1cccc(NCc2cncc3nnc(-c4ccc(Br)cc4)n23)c1,IENWEUROTKNASZ-UHFFFAOYSA-N,5,1,0.517,48,678,446.255,4.767,4,0.463,0.83,1.0,0.5150006853539854,0.5949472277431294,0.9421047220889589,0.9218439448975396,0.7434741450209034
EOS-5-01442,Fc1nc(-c2ccnnc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,OZSOBKRHWLGZBO-UHFFFAOYSA-N,5,1,0.536,35,143,414.404,2.799,5,0.391,0.65,1.0,0.7993112192447399,0.7905129874580221,0.4219981495442396,0.39864471249400313,0.6026167671852511
EOS-5-01443,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cccs3)n12,UEPWCQAXWDETNN-UHFFFAOYSA-N,5,1,0.595,58,24,425.474,3.527,5,0.384,0.62,1.0,0.5784387636214104,0.6420310465355356,0.18601363854430814,0.2227486121581797,0.40730801521485843
EOS-5-01444,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)ccc1-c1cnc(C)cn1,RQJCBCFKLMHICG-UHFFFAOYSA-N,5,1,0.43,31,690,472.94,4.184,5,0.325,0.6,0.988,0.5784473305462271,0.6043280104173806,0.24548523062161606,0.22557569734768007,0.41345906723322595
EOS-5-01445,COc1cc(-c2nnc3cncc(CCCOc4ccc(F)c(C)n4)n23)ccc1-c1cncnc1,IKTYWYGABUBTDS-UHFFFAOYSA-N,5,1,0.402,14,172,471.496,4.111,5,0.312,0.68,1.0,0.5674559660064423,0.5996504694674799,0.45500651086286065,0.34103214310191216,0.49078627235967376
EOS-5-01446,Fc1cnccc1COc1cncc2nnc(-c3cncc(-c4nccnc4F)c3)n12,KXTJDYXTDHXNDG-UHFFFAOYSA-N,5,1,0.433,2,970,418.367,2.896,5,0.429,0.73,0.996,0.7111661298060448,0.6666952230827222,0.6451836748680694,0.6146768555959153,0.6594304708381878
EOS-5-01448,COc1cc(-c2nnc3cncc(COc4cccnc4F)n23)ccc1-c1cncs1,JYTFUVXGVRFXOO-UHFFFAOYSA-N,5,1,0.412,14,257,434.456,4.037,5,0.373,0.76,1.0,0.5512559111781234,0.5560533890754574,0.6357343567952848,0.4954509629223494,0.5596236549928038
EOS-5-01449,COc1cc(-c2nnc3cncc(CCc4ccnc(F)c4)n23)ccc1-c1cscn1,KEYWKJKOSADUDQ-UHFFFAOYSA-N,5,1,0.404,14,257,432.484,4.243,5,0.374,0.73,1.0,0.5842642724967446,0.5012336371736001,0.5839815639777945,0.5054913988074841,0.5437427181139058
EOS-5-01450,Fc1cc(F)cc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1,ZJUFILHLBVKRIZ-UHFFFAOYSA-N,5,1,0.519,59,16,422.42,4.167,5,0.423,0.77,1.0,0.6442327462134192,0.5996590363922967,0.7809265985881708,0.7769344116236035,0.7004381982043726
EOS-5-01451,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4F)n23)nc(Cl)n1,GHUBMFCYFQYKDD-UHFFFAOYSA-N,5,1,0.453,58,24,473.856,3.048,5,0.208,0.61,1.0,0.5434428757453225,0.7012798985676102,0.2529470221369337,0.33152285655541086,0.45729816325131933
EOS-5-01452,Fc1cnc(Cl)nc1COc1cncc2nnc(-c3ccnc(-c4ncon4)c3)n12,WSEXXWPSUXVNDT-UHFFFAOYSA-N,5,1,0.477,7,420,425.771,2.398,5,0.387,0.67,1.0,0.6269703927078336,0.5283565211431704,0.20663422657802755,0.24347200328969912,0.40135828592968265
EOS-5-01454,Cn1cnc(-c2cncc(-c3nnc4cncc(OCc5ncccc5Cl)n34)c2)c1F,QYTPVAOFHCETIQ-UHFFFAOYSA-N,5,1,0.478,2,422,436.838,3.353,5,0.417,0.7,0.999,0.5408813652251387,0.5560619560002742,0.5208347611541361,0.5424662463162223,0.5400610821739428
EOS-5-01455,N#Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,RYFCDMWNKFWIII-UHFFFAOYSA-N,5,1,0.456,90,473,412.24,3.381,4,0.495,0.73,0.999,0.8474145020903296,0.8652851072578988,0.5871084915358783,0.6930727845932424,0.7482202213693373
EOS-5-01456,COc1cc(-c2nnc3cncc(CNc4cc(F)cc(C#N)c4)n23)ccc1-c1cocn1,ACDSYVCZKGEQHS-UHFFFAOYSA-N,5,1,0.352,14,257,441.426,4.078,5,0.419,0.72,1.0,0.5811801795627441,0.44766465629497637,0.8060790898499075,0.6984356795284764,0.6333399013090261
EOS-5-01457,COc1cc(-c2nnc3cncc(CNC(=O)c4cnc(F)cn4)n23)ccc1-c1cncs1,KYDWJVKJONOCAE-UHFFFAOYSA-N,5,1,0.446,82,172,462.47,2.783,5,0.409,0.76,1.0,0.5538088547734905,0.514675142210952,0.20294188198204371,0.13626550613391816,0.3519228462751011
EOS-5-01458,COc1cc(-c2nnc3cncc(COc4ccncc4F)n23)ccc1-c1nccs1,FTJBCLAOFIRZKK-UHFFFAOYSA-N,5,1,0.394,14,257,434.456,4.037,5,0.399,0.78,1.0,0.5729987663628264,0.5012422040984168,0.6000959495579467,0.4682081420053458,0.535636265506134
EOS-5-01459,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)c(F)c1,XKLBOHQTZAZIRR-UHFFFAOYSA-N,5,1,0.342,74,914,460.404,3.073,5,0.425,0.77,1.0,0.5460472208895895,0.5192070454389692,0.507067712973751,0.37984887944623397,0.4880427146871359
EOS-5-01460,Fc1nccnc1Oc1ccc(-c2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1,NZJZJLXFFHBDBA-UHFFFAOYSA-N,5,1,0.318,50,914,420.795,3.623,5,0.406,0.71,0.998,0.57563737920636,0.7943081351518059,0.5513929819751902,0.5617846617778083,0.620780789527791
EOS-5-01461,CCc1nsc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)ccn2)n1,DNNLIPWXXOSYRL-UHFFFAOYSA-N,5,1,0.553,24,912,433.472,3.985,5,0.4,0.75,1.0,0.5538174216983072,0.5468867795216229,0.2029504489068604,0.2553714618600507,0.38975652799671023
EOS-5-01462,Cc1cnc(Cl)c(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)c1,WSQUQWSHOZBURK-UHFFFAOYSA-N,5,1,0.489,58,28,484.372,4.942,5,0.315,0.55,0.999,0.7297649235830307,0.7943167020766225,0.4689877321636625,0.542474813241039,0.6338860427660886
EOS-5-01463,Fc1ncccc1CCOc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,IGMPKEBRUGVKJS-UHFFFAOYSA-N,5,1,0.484,87,76,419.445,3.465,5,0.389,0.8,1.0,0.6928757453224591,0.627758549790967,0.37844390377630044,0.3637430607908985,0.5157053149201563
EOS-5-01464,Fc1nccnc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3Cl)n12,LMMSISJZINDFDB-UHFFFAOYSA-N,5,1,0.447,58,24,455.866,2.909,5,0.356,0.55,0.996,0.5001113700226166,0.6091254883147146,0.1268333219107669,0.20832191076691112,0.3610980227537523
EOS-5-01465,Fc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(OCCn3cccn3)n12,PTRWREOXRAYTCZ-UHFFFAOYSA-N,5,1,0.413,73,775,437.826,2.711,5,0.373,0.66,1.0,0.5460557878144061,0.5283650880679871,0.17951990953327393,0.23764649441436503,0.37289681995750806
EOS-5-01466,Fc1cccc(COc2cncc3nnc(-c4cc(-c5ccncn5)ncn4)n23)c1F,MNGUSXXKKNUAFU-UHFFFAOYSA-N,5,1,0.427,44,488,418.367,2.896,5,0.429,0.67,0.798,0.7416386813789322,0.594955794667946,0.6727948735521897,0.6551384415050373,0.6661319477760264
EOS-5-01468,COc1cc(-c2nnc3cncc(COc4ccncc4F)n23)ccc1-c1cnsc1,PFTGYKXHZUIWIH-UHFFFAOYSA-N,5,1,0.417,14,767,434.456,4.037,5,0.399,0.65,1.0,0.5704201219930094,0.49668460009594956,0.712631073949695,0.5962408333904462,0.593994157357275
EOS-5-01469,N#Cc1cnnc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4F)n23)c1,IIAGSKKUPHMLJD-UHFFFAOYSA-N,5,1,0.457,53,24,446.431,2.127,5,0.356,0.55,0.999,0.4947570420121993,0.6189003495305325,0.16967651291892263,0.21455006510862862,0.37447099239257076
EOS-5-01470,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(Cl)nn4)n23)ccc1-c1cnco1,UDIQOKNWIRTQIJ-UHFFFAOYSA-N,5,1,0.441,14,257,462.857,2.828,5,0.404,0.74,1.0,0.564603180042492,0.4824292372010143,0.20295901583167705,0.16144369817010487,0.35285878281132205
EOS-5-01471,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cnc(C#N)c(F)c4)n23)ccn1,FCEDMWMXVOACDL-UHFFFAOYSA-N,5,1,0.5,7,624,427.403,2.572,5,0.42,0.59,1.0,0.6296004386265506,0.47377664313617984,0.5610821739428414,0.4587845247070112,0.5308109451031457
EOS-5-01472,Fc1ncccc1CCOc1cncc2nnc(-c3cnnc(-c4cncs4)c3)n12,YKCRXXMATCUSFT-UHFFFAOYSA-N,5,1,0.494,65,778,420.433,2.86,5,0.386,0.66,1.0,0.6594476046878213,0.6277671167157837,0.28216023576177096,0.28775443766705505,0.46428234870810775
EOS-5-01473,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,NQEVUAYEHYSKLC-UHFFFAOYSA-N,5,1,0.471,58,28,420.433,2.86,5,0.386,0.62,1.0,0.6296090055513672,0.6862449455143582,0.12414330751833322,0.1341580426290179,0.3935388253032691
EOS-5-01474,Cn1ncc(-c2cnnc(COc3cncc4nnc(-c5ccc(Cl)cc5)n34)c2)n1,VTAJEZKBZRRKTH-UHFFFAOYSA-N,5,1,0.549,36,534,419.836,2.609,5,0.427,0.71,1.0,0.590184017545062,0.7943252690014393,0.2893136179836886,0.33785381399492836,0.5029191796312795
EOS-5-01475,Fc1cnc(N2CCOCC2)nc1COc1cncc2nnc(-c3ccc(Cl)cc3)n12,NYTUADPGVWMWAJ-UHFFFAOYSA-N,5,1,0.529,90,636,441.854,2.789,5,0.467,0.83,1.0,0.510031868960318,0.5802378178329107,0.010982797614968131,0.08704852306216161,0.2970752518675896
EOS-5-01476,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCc3ncc(Cl)s3)n12,FXAROGXVYXICRN-UHFFFAOYSA-N,5,1,0.512,4,712,445.892,4.138,5,0.401,0.62,1.0,0.48739805359468164,0.6277756836406003,0.4077085189500377,0.5054999657323007,0.5070955554794051
EOS-5-01477,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,YQWXJICKOHYSKT-UHFFFAOYSA-N,5,1,0.556,35,143,419.445,3.465,5,0.389,0.56,1.0,0.6533136865190871,0.6812846960455075,0.40053800287848673,0.39245082585155233,0.5318968028236584
EOS-5-01478,Fc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)n1,YBPUSZITOJYRPI-UHFFFAOYSA-N,5,1,0.506,24,199,424.396,2.957,5,0.397,0.65,1.0,0.6212819546295661,0.5515557535467068,0.3592539921869646,0.34420190528407923,0.46907340141182924
EOS-5-01479,Cn1ccnc1-c1ccc(-c2nnc3cncc(OCCc4nc(Cl)cnc4F)n23)cc1Cl,ZPEWKYMHNIYSJA-UHFFFAOYSA-N,5,1,0.495,20,353,485.31,4.049,5,0.358,0.74,1.0,0.7506853539853334,0.8144746761702419,0.472328832842163,0.5715423891439929,0.6522578130354328
EOS-5-01480,Cc1ccnc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)cn5)n34)ccn2)n1,YZAVCEVQEOPBAL-UHFFFAOYSA-N,5,1,0.553,75,420,430.859,3.579,5,0.416,0.68,1.0,0.5383455554794051,0.5902782537180453,0.3441333698855459,0.3378623809197451,0.4526548900006854
EOS-5-01481,Fc1ncccc1CCOc1cncc2nnc(-c3cncc(-c4nncs4)c3)n12,XIMFWFSMTQPFPE-UHFFFAOYSA-N,5,1,0.474,87,142,420.433,2.86,5,0.386,0.75,1.0,0.65016962511137,0.632581728462751,0.27467274347200327,0.2791189774518539,0.4591357686244945
EOS-5-01482,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cncs1,WKUBKECFUPHZKU-UHFFFAOYSA-N,5,1,0.398,14,103,434.456,4.037,5,0.373,0.77,1.0,0.5332825029127545,0.5560705229250908,0.6758189980124735,0.5487029675827565,0.5784687478582689
EOS-5-01483,COc1cc(-c2nnc3cncc(OCC4CC4(F)F)n23)ccc1-c1cnsn1,XLJMSCAOJAPASL-UHFFFAOYSA-N,5,1,0.506,68,947,416.413,3.352,5,0.476,0.51,1.0,0.7018881502295936,0.764752244534302,0.7509851963539168,0.6871958741690083,0.7262053663217052
EOS-5-01484,CCn1ncnc1-c1cc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)ccc1F,HZPKZVNOPBDKCP-UHFFFAOYSA-N,5,1,0.462,36,610,451.853,3.231,5,0.362,0.73,1.0,0.48009046672606404,0.637456308683435,0.28573264341032145,0.3442104722088959,0.4368724727571791
EOS-5-01485,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(F)cn4)n23)ccc1-c1cncs1,HSCVSHPILLFALV-UHFFFAOYSA-N,5,1,0.47,14,257,461.482,3.388,5,0.413,0.78,1.0,0.5560533890754574,0.47841134946199715,0.3335189500376945,0.24617915153176614,0.4035407100267288
EOS-5-01486,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1nccs1,ZEXDBISQKMUNHU-UHFFFAOYSA-N,5,1,0.38,14,257,434.456,4.037,5,0.373,0.81,1.0,0.5460643547392228,0.5238331848399699,0.5967548488794462,0.4618943184154616,0.532136676718525
EOS-5-01487,COc1cc(-c2nnc3cncc(CCc4ccnc(Cl)c4)n23)ccc1-c1cnco1,HOKSGSRHPIMKBF-UHFFFAOYSA-N,5,1,0.414,14,257,432.871,4.289,5,0.369,0.71,1.0,0.5784558974710438,0.4737852100609965,0.6297032417243507,0.5811030772393941,0.5657618566239462
EOS-5-01488,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ncsn5)c4)n23)ccc1F,FLFHZBMDYDTQMP-UHFFFAOYSA-N,5,1,0.517,7,420,431.416,2.69,5,0.412,0.68,1.0,0.5356812418614214,0.5748749228976766,0.3109965046946748,0.2969210472208896,0.4296184291686656
EOS-5-01489,Cc1nccc(COc2cncc3nnc(-c4ccc(F)c(-c5ncsn5)c4)n23)n1,HNTPOWHUBYRGDU-UHFFFAOYSA-N,5,1,0.512,73,82,420.433,3.126,5,0.427,0.61,1.0,0.6241261736686999,0.6764015489000068,0.26324446576656846,0.2434805702145158,0.45181318963744777
EOS-5-01490,Fc1cc(-c2csnn2)cc(-c2nnc3cncc(OCc4ccnc(Cl)c4)n23)c1,DLIUZISQJMHRDD-UHFFFAOYSA-N,5,1,0.5,72,55,439.863,4.076,5,0.381,0.7,1.0,0.5075902953875677,0.5748834898224933,0.7308786238091974,0.7698923994243027,0.6458112021108903
EOS-5-01491,COc1cc(-c2nnc3cncc(CCc4ncccc4F)n23)ccc1-c1cnsc1,GKAWGFUSDGXMMF-UHFFFAOYSA-N,5,1,0.419,14,257,432.484,4.243,5,0.399,0.57,1.0,0.570428688917826,0.4872781166472483,0.5208433280789527,0.48628435336851483,0.5162086217531354
EOS-5-01492,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ccccc5)nn4)n23)c(F)c1F,PZVSBLSSJGQXID-UHFFFAOYSA-N,5,1,0.365,62,586,459.416,3.678,5,0.427,0.79,0.963,0.5306695908436707,0.5146837091357687,0.6240919059694332,0.5554023027893907,0.5562118771845659
EOS-5-01493,Fc1cncnc1COc1cncc2nnc(-c3cnc(F)c(-c4nccs4)c3)n12,OIUKRNCONWQWMT-UHFFFAOYSA-N,5,1,0.441,2,422,424.396,2.957,5,0.397,0.62,1.0,0.5871427592351449,0.5996676033171133,0.35926255911178123,0.36703275992049894,0.47827642039613466
EOS-5-01494,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cccnc1,QGFOPQJLYZNEKF-UHFFFAOYSA-N,5,1,0.654,11,103,424.464,3.878,5,0.392,0.72,1.0,0.6626859022685216,0.4607806181892948,0.5277397025563704,0.417577616338839,0.5171959598382565
EOS-5-01495,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3nc(Cl)cnc3F)n12,HTMXTWXBXJRKQE-UHFFFAOYSA-N,5,1,0.435,58,24,473.856,3.048,5,0.343,0.51,0.977,0.5408899321499554,0.6569717634158042,0.19947227743129325,0.30009937632787337,0.42435833733123157
EOS-5-01496,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,OFGFFLLGTFNQDW-UHFFFAOYSA-N,5,1,0.506,58,658,420.433,2.86,5,0.386,0.6,1.0,0.6212905215543828,0.6715955040778562,0.1763587142759235,0.18299808100884107,0.41306070522925087
EOS-5-01497,COc1cc(-c2nnc3cncc(COc4cccnc4F)n23)ccc1-c1nccs1,LBIRUJWDPWCKNT-UHFFFAOYSA-N,5,1,0.394,14,257,434.456,4.037,5,0.373,0.76,1.0,0.5383541224042218,0.5238417517647865,0.5548625865259407,0.4113066273730382,0.5070912720169968
EOS-5-01498,Fc1cccc(COc2cncc3nnc(-c4cc(-c5nccs5)ncn4)n23)c1F,YLAALDMXYDQPHX-UHFFFAOYSA-N,5,1,0.429,44,488,423.408,3.562,5,0.427,0.63,0.954,0.6269789596326503,0.5420036323761223,0.5934994174491125,0.602100609965047,0.591145654855733
EOS-5-01499,COCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)nn1,QMSZKHMFXCBWSK-UHFFFAOYSA-N,5,1,0.5,65,578,475.9,2.855,5,0.309,0.67,1.0,0.567464532931259,0.6374648756082517,0.1860222054691248,0.19394661092454252,0.39622455623329444
EOS-5-01500,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)ccn2)cn1,GCWAZBXSEOBUMF-UHFFFAOYSA-N,5,1,0.535,75,99,432.394,3.204,5,0.39,0.64,1.0,0.5383626893290384,0.5420121993009389,0.5411126721951888,0.48013330135014737,0.5254052155438284
EOS-5-01501,O=C(NCc1cncc2nnc(-c3ccc(-c4cnc(CO)cn4)cc3F)n12)C(F)(F)F,OWHDODQZBVHGEV-UHFFFAOYSA-N,5,1,0.402,68,233,447.352,2.058,4,0.45,0.7,1.0,0.5100404358851347,0.532854156671921,0.8250890960180933,0.712451168528545,0.6451087142759235
EOS-5-01502,CCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)nn2)s1,NBWSVNYEBDKDCX-UHFFFAOYSA-N,5,1,0.436,54,578,464.942,3.937,5,0.333,0.62,0.998,0.5075988623123844,0.5854465081214447,0.109990747721198,0.1481221300801864,0.3377895620588034
EOS-5-01503,Fc1cncnc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,WYGKPBHPGVTBQQ-UHFFFAOYSA-N,5,1,0.451,58,24,439.411,2.394,5,0.368,0.59,1.0,0.512533411006785,0.5468953464464396,0.1731461174696731,0.219981495442396,0.36313909259132343
EOS-5-01504,Fc1ncc(F)c(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)n1,YEZIMANOMGEHBQ-UHFFFAOYSA-N,5,1,0.451,2,422,424.396,2.957,5,0.397,0.68,1.0,0.6045850181618806,0.5515643204715236,0.33352751696251115,0.3248834898224933,0.4536400863546021
EOS-5-01505,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(Cl)n5)cn4)n23)c(F)c1,KKKIHBVOIQJHJX-UHFFFAOYSA-N,5,1,0.361,96,586,475.871,4.193,5,0.38,0.76,1.0,0.5811887464875608,0.6043365773421973,0.6673634432184223,0.6021091768898637,0.613749485984511
EOS-5-01506,COc1cc(-c2nnc3cncc(OCCc4cccnc4C)n23)ccc1-c1cccnn1,WFBUKKVHOQDWFM-UHFFFAOYSA-N,5,1,0.517,72,925,439.479,3.582,5,0.379,0.69,1.0,0.6158676581454321,0.3398670413268453,0.38574292372010144,0.2521759989034336,0.3984134055239531
EOS-5-01508,COc1cc(-c2nnc3cncc(OCCc4nccs4)n23)ccc1-c1nccs1,PTAJRMZSVUHJJE-UHFFFAOYSA-N,5,1,0.642,15,777,436.522,4.001,5,0.381,0.73,1.0,0.5704372558426427,0.43875505448564184,0.15384483585772052,0.10710369405798095,0.3175352100609965
EOS-5-01509,COc1cc(-c2ccc(C(F)(F)F)nn2)ccc1-c1nnc2cncc(Br)n12,KEDQCKYAHMZGBR-UHFFFAOYSA-N,5,1,0.586,66,861,451.206,4.038,4,0.468,0.83,1.0,0.507607429237201,0.5283736549928038,0.9537471729148105,0.8668014529504489,0.714132427523816
EOS-5-01511,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,GZTUNOGVGOQIFY-UHFFFAOYSA-N,5,1,0.484,58,24,438.423,3.0,5,0.373,0.59,1.0,0.494765608937016,0.5854550750462614,0.27835652114317044,0.3315314234802275,0.42252715715166883
EOS-5-01512,Fc1ccnc(Cl)c1COc1cncc2nnc(-c3cncc(-c4cnns4)c3)n12,QALMHRFCQRGACH-UHFFFAOYSA-N,5,1,0.448,2,36,440.851,3.471,5,0.382,0.54,1.0,0.5050116510177507,0.5469039133712562,0.5577839078884244,0.614685422520732,0.5560962236995408
EOS-5-01513,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ncsn5)c4)n23)ccn1,OWJIQVNNGWFOLW-UHFFFAOYSA-N,5,1,0.57,75,359,420.433,2.86,5,0.386,0.63,1.0,0.6561407717085875,0.585463641971078,0.259903365088068,0.2612655061339182,0.44069332122541294
EOS-5-01514,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)cc4F)n23)cc1F,GQZDRQPPIMUXJP-UHFFFAOYSA-N,5,1,0.343,96,648,445.389,3.418,5,0.44,0.76,1.0,0.523053594681653,0.4916472483037489,0.707448084435611,0.6320591460489343,0.5885520183674868
EOS-5-01515,COc1cc(-c2nnc3cncc(CCCCC(F)(F)F)n23)ccc1-c1ccsn1,QNPVMIFEQWVDLK-UHFFFAOYSA-N,5,1,0.44,5,947,433.459,5.199,4,0.375,0.67,1.0,0.5383712562538551,0.5146922760605853,0.7336800082242478,0.6638167363443218,0.6126400692207525
EOS-5-01516,OCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,AGLLPVCUINZBOS-UHFFFAOYSA-N,5,1,0.451,90,473,417.256,3.002,4,0.515,0.76,0.998,0.6869988348982249,0.6960283736549928,0.45841614693989446,0.5841614693989445,0.6064012062230142
EOS-5-01517,N#Cc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5ccsc5)ncn4)n23)n1,VTOVMPLPYVCYAJ-UHFFFAOYSA-N,5,1,0.396,46,238,430.428,3.295,5,0.417,0.61,0.775,0.5560619560002742,0.5099376327873346,0.482669111095881,0.46821670893016243,0.504221352203413
EOS-5-01518,Cc1cc(C)nc(-c2ccc(-c3nnc4cncc(OCCc5ccccn5)n34)cn2)n1,ZVYRDMIAHYKFLT-UHFFFAOYSA-N,5,1,0.583,87,796,424.468,3.277,5,0.409,0.75,1.0,0.6045935850866972,0.5328627235967377,0.11860907408676581,0.08009218011102734,0.33403939072030703
EOS-5-01519,Fc1ncc(Cl)nc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,HZXABITUHRBFCH-UHFFFAOYSA-N,5,1,0.649,90,400,405.22,3.649,4,0.505,0.74,1.0,0.9776231923788636,0.9862072510451648,0.5935079843739292,0.759800561990268,0.8292847474470564
EOS-5-01520,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,NGCGJPAVICGXEE-UHFFFAOYSA-N,5,1,0.602,87,143,419.445,3.465,5,0.389,0.59,1.0,0.629617572476184,0.6764101158248236,0.3221934754300596,0.32489205674731,0.4882783051195943
EOS-5-01521,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(F)cn4)n23)ccc1-c1ccsn1,UJAIJJNVXAEPQH-UHFFFAOYSA-N,5,1,0.461,14,257,461.482,3.388,5,0.413,0.73,1.0,0.5408984990747722,0.4695274484271126,0.30736412857240764,0.22901960112398054,0.38670241929956817
EOS-5-01523,Fc1cc(-c2csnn2)cc(-c2nnc3cncc(OCCc4ccc(F)nn4)n23)c1,DQWUWEJTFWMUDO-UHFFFAOYSA-N,5,1,0.489,72,482,438.423,3.0,5,0.399,0.55,1.0,0.492469673086149,0.5802463847577274,0.3820077445000343,0.4366647248303749,0.4728471317935714
EOS-5-01524,Fc1ncnc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)c1F,BZOAUPWAAYIYMV-UHFFFAOYSA-N,5,1,0.5,24,199,424.396,2.957,5,0.397,0.6,1.0,0.5871513261599616,0.565502707148242,0.3335360838873278,0.32186793228702626,0.4520145123706394
EOS-5-01526,CCc1cc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)n(C)n1,NFWQJJSTHMJVIP-UHFFFAOYSA-N,5,1,0.516,65,904,444.474,3.305,5,0.38,0.72,1.0,0.49477417586183264,0.5515728873963403,0.2857412103351381,0.23178671783976423,0.39096874785826874
EOS-5-01527,COc1ccccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,FRNBYSQQJPDFIA-UHFFFAOYSA-N,5,1,0.558,58,271,449.471,3.474,5,0.348,0.64,0.996,0.48740662051949835,0.5655112740730588,0.34414193681036254,0.2819888972654376,0.4197621821670894
EOS-5-01528,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cccnn5)nn4)n23)ccn1,MOZSUIWQULRJLP-UHFFFAOYSA-N,5,1,0.448,53,411,415.392,2.194,5,0.385,0.65,1.0,0.776797340826537,0.652337057089987,0.22385374545952985,0.24048214652868208,0.473367572476184
EOS-5-01529,Fc1ncc(F)c(COc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)n1,ATWAFNMOGQNCBX-UHFFFAOYSA-N,5,1,0.451,2,422,424.396,2.957,5,0.397,0.61,1.0,0.5931567404564457,0.5469124802960729,0.40405900897813724,0.38956377218833527,0.48342300047974773
EOS-5-01530,Fc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,YQCGNHRTPJLHKB-UHFFFAOYSA-N,5,1,0.517,2,904,419.445,3.465,5,0.416,0.75,1.0,0.6501781920361867,0.6231238434651497,0.43675896100335826,0.42104722088958946,0.532777054348571
EOS-5-01531,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5nnco5)c4)n23)c1F,IIHGNCOGRKZAGB-UHFFFAOYSA-N,5,1,0.473,75,241,422.355,2.531,5,0.407,0.57,1.0,0.6688026865876225,0.47379377698581315,0.36670721677746554,0.37665341648961687,0.4714892742101296
EOS-5-01532,Cc1noc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)n1,QEZAOJXFZANIGX-UHFFFAOYSA-N,5,1,0.511,65,904,418.392,2.7,5,0.41,0.75,1.0,0.6870074018230417,0.6091340552395312,0.21682886710986224,0.1965338222191762,0.4273760365979028
EOS-5-01534,Clc1cc(-c2nncs2)cc(-c2nnc3cncc(OCc4ccc(Cl)nn4)n23)c1,QGKDIRNVNIPWSY-UHFFFAOYSA-N,5,1,0.541,72,208,457.306,3.986,5,0.39,0.66,1.0,0.46039510657254473,0.6374734425330684,0.4182458364745391,0.5424833801658556,0.5146494414365019
EOS-5-01535,Fc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)n1,NQCYAWFHLWJHNX-UHFFFAOYSA-N,5,1,0.451,2,422,423.408,3.562,5,0.399,0.7,1.0,0.5842728394215613,0.5902868206428621,0.5344219039133713,0.5289562058803372,0.559484442464533
EOS-5-01536,COc1cc(-c2nnc3cncc(OCC4Oc5cccnc5O4)n23)ccc1-c1cscn1,FEJCPMIKOGHJIJ-UHFFFAOYSA-N,5,1,0.43,15,777,460.475,3.495,6,0.376,0.56,1.0,0.5560705229250908,0.42079021314508946,0.5610907408676582,0.3570694263587143,0.4737552258241382
EOS-5-01537,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ncnc4ncccc34)n12,RTFGZHCAFSQHHE-UHFFFAOYSA-N,5,1,0.455,72,386,471.481,3.409,6,0.36,0.7,1.0,0.5283565211431704,0.5902953875676787,0.23844321842231514,0.29692961414570623,0.4135061853197176
EOS-5-01538,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cscn1,SWKNXZROGUENNF-UHFFFAOYSA-N,5,1,0.627,11,777,430.493,3.94,5,0.386,0.71,1.0,0.5871598930847783,0.4387636214104585,0.37458878760879993,0.26739085737783563,0.41697578987046807
EOS-5-01539,Fc1cnccc1CCOc1cncc2nnc(-c3cncc(-c4cscn4)c3)n12,ONLAVDBDURYETH-UHFFFAOYSA-N,5,1,0.517,2,904,419.445,3.465,5,0.416,0.66,1.0,0.647333972997053,0.6189089164553492,0.5103831128778014,0.4862929202933315,0.5657297306558837
EOS-5-01540,Fc1ccc(Br)cc1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,HNQLNYFISGQVFD-UHFFFAOYSA-N,5,1,0.488,59,109,483.326,4.79,5,0.358,0.8,1.0,0.7141902542663285,0.6523456240148037,0.7485436227811665,0.7468987732163662,0.7154945685696662
EOS-5-01541,Fc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4nccs4)c3)n12,NVIBBRFTIZESMB-UHFFFAOYSA-N,5,1,0.506,65,778,420.433,2.86,5,0.413,0.62,1.0,0.6241347405935166,0.6140343362346652,0.24914330751833322,0.26127407305873485,0.4371466143513124
EOS-5-01542,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(C#N)cnc4F)n23)ccn1,ABFNBNXINDGICK-UHFFFAOYSA-N,5,1,0.436,7,624,427.403,2.572,5,0.393,0.63,1.0,0.6015865944760469,0.447673223219793,0.6031029401685971,0.5156689054896855,0.5420079158385307
EOS-5-01543,COc1cc(-c2nnc3cncc(COc4cc(Cl)cnn4)n23)ccc1-c1cnsc1,NAUALKVHPKDRCP-UHFFFAOYSA-N,5,1,0.404,14,351,451.899,3.946,5,0.382,0.49,1.0,0.4924782400109657,0.5328712905215544,0.5033839353025837,0.44915530121307656,0.49447219176204504
EOS-5-01544,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)c(OC)c4)n23)cc1F,OREWEESZSDLKPO-UHFFFAOYSA-N,5,1,0.339,62,697,455.453,3.423,5,0.433,0.83,1.0,0.5201322733191693,0.4695360153519293,0.6153022411075321,0.47118943184154616,0.5190399904050442
EOS-5-01545,CCc1nc(-c2nnc3cncc(COc4cc(C)ccn4)n23)ccc1-c1ncc(F)cn1,ZKPRKFUCQFXABQ-UHFFFAOYSA-N,5,1,0.306,85,717,442.458,3.627,5,0.393,0.57,1.0,0.5125419779316017,0.4966931670207662,0.17315468439448975,0.13627407305873485,0.32966597560139815
EOS-5-01546,Fc1cc(Cl)cc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)n1,LMIKUJWRIKVOPP-UHFFFAOYSA-N,5,1,0.667,23,400,404.232,4.254,4,0.466,0.79,1.0,0.9855475978342814,0.9905421150023987,0.8610616133232815,0.9207216777465561,0.9394682509766294
EOS-5-01547,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cnsn1,QTWTYGHGSNDLOH-UHFFFAOYSA-N,5,1,0.365,14,767,435.444,3.432,5,0.374,0.7,1.0,0.5306781577684874,0.48728668357206495,0.5378743746144884,0.4272411075320403,0.49577008087177027
EOS-5-01548,Cn1cncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)cn1,KZZZBWXLEUMHBP-UHFFFAOYSA-N,5,1,0.511,65,981,416.42,2.742,5,0.393,0.72,1.0,0.7384003837982318,0.6277842505654171,0.3894181344664519,0.3280789527791104,0.5209204304023027
EOS-5-01549,Fc1cc(-c2c[nH]nn2)cc(-c2nnc3cncc(OCCc4ccncc4F)n23)c1,RZACNZWEOFYVQN-UHFFFAOYSA-N,5,1,0.522,37,161,420.383,2.871,5,0.45,0.67,1.0,0.6442413131382358,0.5700089096018094,0.6945377287368926,0.693081351518059,0.6504673257487492
EOS-5-01550,Cc1nccc(COc2cncc3nnc(-c4cc(-c5cscn5)ncc4F)n23)n1,CICWAQSYVLJNNX-UHFFFAOYSA-N,5,1,0.489,24,199,420.433,3.126,5,0.427,0.59,1.0,0.6100507161949147,0.637482009457885,0.24206702761976562,0.20544342402851073,0.42376079432526903
EOS-5-01551,CNC(=O)c1ccc(-c2nnc3cncc(OCc4cnnc(-c5nccs5)c4)n23)c(F)c1,FNDXTVPZDCZKSQ-UHFFFAOYSA-N,5,1,0.453,89,389,462.47,2.783,5,0.409,0.63,1.0,0.5283650880679871,0.47380234391062986,0.2632530326913851,0.18034233431567404,0.361440699746419
EOS-5-01552,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cnsc1,PSIRXINMEPJEKM-UHFFFAOYSA-N,5,1,0.398,14,103,434.456,4.037,5,0.373,0.66,1.0,0.520140840243986,0.514700842985402,0.7074566513604277,0.5902011513946953,0.5831248714961277
EOS-5-01553,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCCc5cccnc5)n34)c2)c1,VIQSGPLLXDNLDN-UHFFFAOYSA-N,5,1,0.523,2,76,413.416,3.404,5,0.421,0.71,1.0,0.8206514289630594,0.7153724898910288,0.5902696867932287,0.5841700363237612,0.6776159104927695
EOS-5-01554,Fc1cc(F)nc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c1,MWSTWMGLCFQZIZ-UHFFFAOYSA-N,5,1,0.53,24,786,423.408,3.562,5,0.399,0.71,1.0,0.5512644781029402,0.6472140360496196,0.5806832979233775,0.565014392433692,0.5860440511274073
EOS-5-01555,COc1cc(-c2nnc3cncc(CNC(=O)Cc4ccc(F)cn4)n23)ccc1-c1cnco1,SLUYFONTPUTXOA-UHFFFAOYSA-N,5,1,0.419,14,257,459.441,2.848,5,0.395,0.69,1.0,0.5674730998560756,0.3832499485984511,0.3222020423548763,0.22558426427249675,0.37462733877047494
EOS-5-01556,Clc1cc(CCOc2cncc3nnc(-c4cnnc(-c5cocn5)c4)n23)ccn1,PBEGHJSZUHRYES-UHFFFAOYSA-N,5,1,0.489,58,778,420.82,2.906,5,0.382,0.59,1.0,0.6185491056130491,0.5949643615927627,0.3258429854019601,0.3637516277157152,0.47577702008087175
EOS-5-01557,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ncc(C)cn1,HSSYPDZERRZVOR-UHFFFAOYSA-N,5,1,0.343,85,920,442.458,3.627,5,0.367,0.58,0.999,0.5025358097457336,0.5058340758001508,0.20664279350284423,0.17209238571722293,0.34677626619148794
EOS-5-01558,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccsc1,LYANYHMDGSNGHR-UHFFFAOYSA-N,5,1,0.588,35,103,429.505,4.545,5,0.378,0.66,1.0,0.587168460009595,0.4297940511274073,0.6182406963196491,0.5055085326571174,0.5351779350284422
EOS-5-01559,Fc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)n1,DFUNJYHCOPNJFX-UHFFFAOYSA-N,5,1,0.451,2,422,423.408,3.562,5,0.399,0.65,1.0,0.5756459461311767,0.5854722088958947,0.6064183400726475,0.5962494003152629,0.5909464738537454
EOS-5-01560,COc1cc(-c2nnc3cncc(CCCOc4cccc(F)c4)n23)ccc1-c1nccs1,QNKXDRXAABHKPK-UHFFFAOYSA-N,5,1,0.427,14,257,461.522,5.074,5,0.3,0.82,1.0,0.47512165033239667,0.5949729285175793,0.537882941539305,0.49545952984716607,0.5258592625591118
EOS-5-01561,COc1cc(-c2nnc3cncc(CNCc4ncc(Cl)cc4F)n23)ccc1-c1cnco1,ZFQWAFUZMSMFQN-UHFFFAOYSA-N,5,1,0.353,60,41,465.876,3.932,5,0.385,0.71,1.0,0.5255465698033034,0.5012507710232335,0.6267133849633335,0.5811116441642108,0.5586555924885204
EOS-5-01562,Fc1ccnc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1F,UYZCGINCVCBFBZ-UHFFFAOYSA-N,5,1,0.477,2,422,423.408,3.562,5,0.427,0.61,1.0,0.5871770269344116,0.5609879377698581,0.5746179151531766,0.5684154615859092,0.572799585360839
EOS-5-01563,Cc1nc(-c2cccc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)c2)cs1,JKCGCFRCHSJWEG-UHFFFAOYSA-N,5,1,0.512,1,31,434.912,4.851,5,0.368,0.82,1.0,0.48989959564114866,0.580254951682544,0.527748269481187,0.5289647728051539,0.5317168974025084
EOS-5-01564,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,XCILLAYBBMRLSI-UHFFFAOYSA-N,5,1,0.617,72,386,419.445,3.465,5,0.416,0.72,1.0,0.6212990884791995,0.6523541909396203,0.48636145569186484,0.4954680967719827,0.5638707079706669
EOS-5-01565,Cc1cccc(Cl)c1COc1cncc2nnc(-c3ccnc(-c4nccn4C)c3)n12,UMFJAMYJERAHSE-UHFFFAOYSA-N,5,1,0.512,16,420,431.887,4.128,5,0.416,0.67,1.0,0.5283736549928038,0.5147094099102186,0.5445822767459393,0.5289733397299705,0.529159670344733
EOS-5-01566,Fc1ccnc(F)c1COc1cncc2nnc(-c3cncc(-c4ncsn4)c3)n12,DEPSZCUSJDDAQU-UHFFFAOYSA-N,5,1,0.459,2,131,424.396,2.957,5,0.397,0.63,1.0,0.5901925844698787,0.5192156123637859,0.47553286272359674,0.4771948461380303,0.5155339764238229
EOS-5-01569,Clc1ccc(-c2nnc3cncc(OCc4nccc(-c5cnccn5)n4)n23)cn1,VSCWYTKEWZZOCO-UHFFFAOYSA-N,5,1,0.427,55,540,417.82,2.666,5,0.397,0.59,1.0,0.5842814063463779,0.8106024261531081,0.21683743403467892,0.2553800287848674,0.466775323829758
EOS-5-01570,Clc1ncccc1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,GPGDYSRRSYDZEM-UHFFFAOYSA-N,5,1,0.453,2,422,421.873,3.937,5,0.397,0.73,1.0,0.5960180933452128,0.5903039544924954,0.4513141662668768,0.4832859296826811,0.5302305359468165
EOS-5-01571,COc1cc(-c2nnc3cncc(CNC(=O)c4cncc(F)c4)n23)ccc1-c1cccnn1,NXVIIJDLCDRGDM-UHFFFAOYSA-N,5,1,0.49,14,257,456.441,2.721,5,0.414,0.74,1.0,0.517536495099719,0.4563258172846275,0.3857514906449181,0.2819974641902543,0.4104028168048797
EOS-5-01572,COc1nccc(F)c1COc1cncc2nnc(-c3cncc(-c4ncsn4)c3)n12,CYFMKGQMFYBUJM-UHFFFAOYSA-N,5,1,0.453,2,131,436.432,2.826,5,0.396,0.61,1.0,0.52555513672812,0.4738109108354465,0.2384517853471318,0.18300664793365773,0.355206120211089
EOS-5-01573,O=C(NCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(F)c3)n12)C(F)(F)F,VXHIYCAZJNRLPF-UHFFFAOYSA-N,5,1,0.457,68,233,451.771,3.219,4,0.478,0.85,1.0,0.4800990336508807,0.537574532245905,0.8852032074566514,0.855270372147214,0.6895367863751628
EOS-5-01574,Fc1nc(C(F)F)ccc1-c1nnc2cncc(CCCc3ccc(-c4ccncc4)nn3)n12,WCBFQNMJZROZCA-UHFFFAOYSA-N,5,1,0.4,85,476,462.439,4.29,5,0.333,0.6,0.999,0.46757418956891234,0.6091426221643479,0.5309180316633542,0.5424919470906723,0.5375316976218216
EOS-5-01575,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cocn1,IOMVRYMKQFXIPN-UHFFFAOYSA-N,5,1,0.38,14,257,418.388,3.568,5,0.386,0.73,1.0,0.6928843122472758,0.5609965046946748,0.6783462408333905,0.532494345829621,0.6161803509012405
EOS-5-01577,N#Cc1ccc(F)c(COc2cncc3nnc(-c4cc(-c5nccs5)ncn4)n23)n1,REWDCUMWHACVDL-UHFFFAOYSA-N,5,1,0.396,46,726,431.416,2.69,5,0.412,0.6,0.988,0.5230621616064698,0.5192241792886025,0.26326159961620177,0.2612826399835515,0.3917076451237064
EOS-5-01578,Fc1ccc(-c2ncccn2)nc1COc1cncc2nnc(-c3ccnc(-c4ncon4)c3)n12,KGJSTGOWJTXHTH-UHFFFAOYSA-N,5,1,0.467,80,34,468.412,2.806,6,0.356,0.61,1.0,0.5589318758138578,0.43877218833527515,0.1696850798437393,0.16649818381193887,0.3334718319512028
EOS-5-01579,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ncsn1,JXVZAHZMMPMKJY-UHFFFAOYSA-N,5,1,0.38,14,172,435.444,3.432,5,0.374,0.75,1.0,0.5175450620245357,0.48729525049688166,0.4689962990884792,0.3603162908642314,0.45853822561853197
EOS-5-01580,Clc1cc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cscn5)c4)n23)ncn1,XEBXYZDSYBMGRM-UHFFFAOYSA-N,5,1,0.512,24,486,457.306,3.986,5,0.288,0.64,0.999,0.4559831402919608,0.6091511890891645,0.44042560482489207,0.5187786991981358,0.5060846583510383
EOS-5-01581,CCn1ccnc1-c1cc(-c2nnc3cncc(OCc4ccccc4Cl)n23)ccn1,QPPYBMPYYJIVCW-UHFFFAOYSA-N,5,1,0.5,16,183,431.887,4.302,5,0.398,0.69,1.0,0.5230707285312864,0.5058426427249675,0.4755414296484134,0.5021245973545336,0.5016448495648003
EOS-5-01583,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)c(F)c1,FRYPCRNDBLBBFU-UHFFFAOYSA-N,5,1,0.516,90,133,459.844,2.884,4,0.452,0.66,1.0,0.5230792954561031,0.4476817901446097,0.4005465698033034,0.392459392776369,0.4409417620450963
EOS-5-01585,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1nccc(C)n1,WKMDPQWPYBMXCO-UHFFFAOYSA-N,5,1,0.323,85,920,442.458,3.627,5,0.367,0.58,1.0,0.4973528202316497,0.49670173394558287,0.20665136042766089,0.16650675073675553,0.34180316633541225
EOS-5-01586,CCc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,OJSZSORIKHYZQK-UHFFFAOYSA-N,5,1,0.466,90,473,415.284,4.072,4,0.473,0.77,0.969,0.6780806661640737,0.7775083955863203,0.38201631142485093,0.505517099581934,0.5857806181892947
EOS-5-01587,Fc1ncccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3)n12,LLTYZBOYJZCUFC-UHFFFAOYSA-N,5,1,0.505,58,981,420.433,2.86,5,0.386,0.75,1.0,0.5871855938592283,0.6472226029744363,0.26713384963333564,0.2761034199163868,0.44441136659584674
EOS-5-01588,Cn1ccnc1-c1cc(F)cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,BZAOGRPJQBSRIF-UHFFFAOYSA-N,5,1,0.585,4,439,435.85,3.958,5,0.389,0.69,1.0,0.4947827427866493,0.5283822219176204,0.6646305942019053,0.6753563840723734,0.5907879857446371
EOS-5-01589,Clc1cccc(COc2cncc3nnc(-c4cc(Cl)nc(-c5cncs5)c4)n23)n1,RJRIHSOXXADBPN-UHFFFAOYSA-N,5,1,0.536,4,31,456.318,4.591,5,0.357,0.63,1.0,0.45599170721677745,0.590312521417312,0.5645175107943252,0.6466743197861695,0.564374014803646
EOS-5-01590,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccn1,RQUXRTGVIKEDAK-UHFFFAOYSA-N,5,1,0.529,59,910,419.395,3.444,5,0.434,0.66,1.0,0.6810448221506408,0.5099461997121513,0.7230655883763965,0.6844544582276746,0.6496277671167158
EOS-5-01591,Fc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cnc1-n1ccnc1,SFXVPZFYFRVFMI-UHFFFAOYSA-N,5,1,0.495,65,578,436.838,3.181,5,0.377,0.69,1.0,0.5175536289493523,0.46954458227674595,0.534430470838188,0.5617932287026249,0.5208304776917277
EOS-5-01592,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,UCGWWXZHNWQPDY-UHFFFAOYSA-N,5,1,0.598,90,636,422.876,3.211,4,0.491,0.82,1.0,0.6442498800630526,0.43878075526009186,0.31862106778150917,0.25538859570968403,0.4142600747035844
EOS-5-01593,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1nccs1,TYYFPKQUAMRNOL-UHFFFAOYSA-N,5,1,0.627,11,777,430.493,3.94,5,0.386,0.68,1.0,0.5589404427386745,0.4344373243780413,0.3110050716194915,0.21148310602426154,0.3789664861901172
EOS-5-01594,COc1ccc(-c2nnc3cncc(OCCc4cccc(C#N)c4)n23)cc1Cl,GDGBSCUNJGRQER-UHFFFAOYSA-N,5,1,0.675,48,396,405.845,3.946,4,0.483,0.83,1.0,0.9757213350695634,0.9629223493934618,0.8944726201082859,0.8587571105475978,0.9229683537797273
EOS-5-01595,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccnnc3)n12,WITYNBBJRFXFPU-UHFFFAOYSA-N,5,1,0.593,72,386,420.433,2.86,5,0.413,0.63,1.0,0.5646117469673086,0.6812932629703242,0.37845247070111715,0.39246795970118564,0.504206360084984
EOS-5-01596,Cc1csc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)c2)n1,BUECNNZXYVKLKH-UHFFFAOYSA-N,5,1,0.483,2,390,437.435,3.87,5,0.386,0.67,1.0,0.49479130971146595,0.509954766636968,0.510391679802618,0.4711979987663628,0.4965839387293537
EOS-5-01597,Fc1cncnc1COc1cncc2nnc(-c3cncc(-c4cncnc4F)c3)n12,DFBHCCOXULJFEN-UHFFFAOYSA-N,5,1,0.424,2,435,419.355,2.29,5,0.396,0.68,0.995,0.6296261394010007,0.594981495442396,0.5177249674456857,0.4892228085806319,0.5578888527174286
EOS-5-01598,O=C(Nc1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1)c1cscn1,KCGOPFYEHILFNT-UHFFFAOYSA-N,5,1,0.609,11,275,477.937,4.17,5,0.375,0.77,1.0,0.6594561716126379,0.43444589130285793,0.3073726954972243,0.27912754437667053,0.42010057569734766
EOS-5-01599,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)c(F)n1,SWNFENLPWGUZBM-UHFFFAOYSA-N,5,1,0.311,50,914,447.365,2.208,5,0.4,0.65,1.0,0.4899081625659653,0.4873038174216983,0.23491364539784798,0.1884980467411418,0.35015591803166335
EOS-5-01600,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccccn1,QWSMHFQKDSSFNO-UHFFFAOYSA-N,5,1,0.578,11,777,424.464,3.878,5,0.392,0.75,1.0,0.6442584469878693,0.37852957302446716,0.5344390377630046,0.4145020903296553,0.4929322870262491
EOS-5-01601,Fc1cc(-c2ccnnc2)cc(-c2nnc3cncc(OCCc4cccnc4)n23)c1,UTHSZDPADDFXIN-UHFFFAOYSA-N,5,1,0.617,35,202,413.416,3.404,5,0.421,0.73,1.0,0.7682903844835858,0.7519361250085669,0.6758275649372901,0.6579655266945378,0.7135049002809951
EOS-5-01602,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(F)nc4)n23)ccc1-c1cncnc1C,NQEBXXUPVWRABD-UHFFFAOYSA-N,5,1,0.462,14,257,470.468,3.029,5,0.376,0.74,1.0,0.5383798231786718,0.4738194777602632,0.42200671646905624,0.26428106366938525,0.4246217702693441
EOS-5-01603,COc1cc(-c2nnc3cncc(CNC(=O)c4cncc(F)c4)n23)ccc1-c1cscn1,GNXRWPZDCSFMIY-UHFFFAOYSA-N,5,1,0.5,14,257,461.482,3.388,5,0.413,0.84,1.0,0.5050202179425674,0.46509834829689534,0.39680282365841957,0.2909584675484888,0.4144699643615928
EOS-5-01604,COc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1cncnc1,PEKVMAGGOKNSHU-UHFFFAOYSA-N,5,1,0.643,15,796,425.452,3.273,5,0.392,0.71,1.0,0.5842899732711946,0.45633438420944417,0.4441179494208759,0.3218764992118429,0.4516547015283394
EOS-5-01605,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCc5ncncc5F)n34)c2)c1,VEGOSLRCDKSFQF-UHFFFAOYSA-N,5,1,0.441,2,422,418.367,2.896,5,0.429,0.63,0.999,0.6561493386334042,0.5854807758207115,0.5935165512987458,0.6021177438146803,0.6093161023918855
EOS-5-01606,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)ccn1,YJVURRNSWKJFCH-UHFFFAOYSA-N,5,1,0.522,58,578,420.433,2.86,5,0.386,0.66,1.0,0.5730073332876431,0.647231169899253,0.31101363854430814,0.309780001370708,0.460258035775478
EOS-5-01607,COc1cc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1cscn1,TWUXOMLFJOGPRN-UHFFFAOYSA-N,5,1,0.429,66,233,434.403,3.102,4,0.519,0.85,1.0,0.517562195874169,0.46078918511411143,0.762250702487835,0.5618017956274416,0.5756009697758893
EOS-5-01609,CCOc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)cc1C#N,OUZZMVKRWYPDSL-UHFFFAOYSA-N,5,1,0.485,62,504,478.487,5.12,5,0.363,0.86,1.0,0.5811973134123775,0.5854893427455281,0.8710163799602495,0.7840106915221712,0.7054284319100816
EOS-5-01611,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccsc3)n12,UZKUNRIYABRVQI-UHFFFAOYSA-N,5,1,0.512,58,271,425.474,3.527,5,0.384,0.64,1.0,0.5283822219176204,0.57489205674731,0.22759749160441367,0.25826708244808444,0.39728471317935715
EOS-5-01612,COCc1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cn1,SZZXWGWKHJPFIO-UHFFFAOYSA-N,5,1,0.533,90,636,415.816,2.537,4,0.454,0.69,1.0,0.6501867589610033,0.760365979028168,0.33677438146802824,0.3506956342951134,0.5245056884380782
EOS-5-01613,Fc1cnc(-c2cncc(-c3nnc4cncc(OCc5ncncc5F)n34)c2)cn1,GIACCQXXLDTWAX-UHFFFAOYSA-N,5,1,0.411,2,970,419.355,2.29,5,0.423,0.61,0.905,0.6269875265574669,0.5854979096703448,0.44412651634569256,0.42724967445685696,0.5209654067575903
EOS-5-01614,Cc1cc(-c2ccc(-c3nnc4cncc(OCc5cccc(F)c5)n34)cn2)cnn1,VIMCJHQKUPHCNB-UHFFFAOYSA-N,5,1,0.541,43,109,413.416,3.67,5,0.434,0.7,1.0,0.7710232335001028,0.7339027482694812,0.6478308546364198,0.6115927626619149,0.6910873997669796
EOS-5-01615,Clc1nc(-c2ncno2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,SXWXGFQFECHVIA-UHFFFAOYSA-N,5,1,0.529,58,271,420.82,2.906,5,0.382,0.6,1.0,0.5730159002124597,0.6189174833801658,0.21350490028099514,0.25539716263450074,0.4152088616270304
EOS-5-01616,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cccnn1,WDQOHLLAAZADNV-UHFFFAOYSA-N,5,1,0.605,72,925,425.452,3.273,5,0.392,0.72,1.0,0.6100592831197313,0.40225995476663695,0.3632376122267151,0.26129120690836816,0.4092120142553629
EOS-5-01617,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccn1,DMOWHKPKGSWWOY-UHFFFAOYSA-N,5,1,0.512,24,910,419.395,3.444,5,0.434,0.71,1.0,0.6810533890754574,0.4784199163868138,0.8022411075320403,0.7545062024535673,0.6790551538619697
EOS-5-01619,COc1cc(-c2nnc3cncc(CNCC4Oc5ccc(F)nc5O4)n23)ccc1-c1cnco1,ZOOBPSDBIDVTJJ-UHFFFAOYSA-N,5,1,0.33,14,257,475.44,2.876,6,0.352,0.54,1.0,0.5931653073812624,0.4519052840792269,0.5777191419368104,0.3895723391131519,0.503090518127613
EOS-5-01621,OCc1nc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)ccc1Cl,UQGUKMIOZJYZHW-UHFFFAOYSA-N,5,1,0.449,90,473,417.256,3.002,4,0.515,0.74,1.0,0.6473425399218696,0.652362757864437,0.5242186964567199,0.6436159276266191,0.6168849804674115
EOS-5-01622,Cn1ccnc1-c1cc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)sn1,PDAJVUNACYOQQA-UHFFFAOYSA-N,5,1,0.449,55,283,424.877,3.276,5,0.399,0.61,1.0,0.5201494071688026,0.5949900623672126,0.1570145980398876,0.19939517510794325,0.36788731067096153
EOS-5-01623,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cnco1,LDGKSUHFCGRTAB-UHFFFAOYSA-N,5,1,0.398,14,103,418.388,3.568,5,0.386,0.73,1.0,0.6594647385374546,0.5560790898499075,0.7024364334178603,0.5554108697142074,0.6183477828798575
EOS-5-01624,Fc1cc(Cl)cnc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,QZHINIZWCAJQCI-UHFFFAOYSA-N,5,1,0.667,90,400,404.232,4.254,4,0.498,0.84,1.0,0.9824806387499143,0.9871753135494483,0.8469518881502296,0.9164125145637722,0.9332550887533411
EOS-5-01625,COc1cc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)ccc1O,HITGHOZPIPBIAS-UHFFFAOYSA-N,5,1,0.49,62,504,471.904,5.078,5,0.37,0.88,1.0,0.5283907888424371,0.5012593379480502,0.8215509560688096,0.72554999657323,0.6441877698581318
EOS-5-01626,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cccnn1,PMRMCOIVCFOOGA-UHFFFAOYSA-N,5,1,0.553,72,925,425.452,3.273,5,0.392,0.72,1.0,0.6354602152011514,0.34501576314166266,0.4367675279281749,0.31878383935302584,0.4340068364060037
EOS-5-01627,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cscn1,GWMRIDNVVPGXRD-UHFFFAOYSA-N,5,1,0.573,35,777,430.493,3.94,5,0.386,0.73,1.0,0.5646203138921253,0.3879446233979851,0.45501507778767736,0.3315399904050442,0.434780001370708
EOS-5-01628,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccnc(Br)c4)n23)cc1,FGRFGQFNHUKINF-UHFFFAOYSA-N,5,1,0.635,48,378,467.327,3.32,4,0.419,0.82,1.0,0.5704458227674594,0.3497190048660133,0.32221060927969297,0.19940374203275993,0.3604447947364814
EOS-5-01629,Cc1nc(C)c(-c2nnc3cncc(OCc4cncc(Cl)n4)n23)cc1-c1nccs1,JIPJNUAJUJQGEQ-UHFFFAOYSA-N,5,1,0.444,7,94,450.915,3.949,5,0.396,0.64,1.0,0.44886402576930984,0.5560876567747242,0.13268453156055102,0.1362826399835515,0.3184797135220341
EOS-5-01630,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ncccn1,FCGGFOXSGQROOE-UHFFFAOYSA-N,5,1,0.337,85,920,428.431,3.319,5,0.38,0.57,1.0,0.5175707627989857,0.5099633335617847,0.21684600095949558,0.19654238914399288,0.36023062161606473
EOS-5-01631,Fc1cncnc1COc1cncc2nnc(-c3cncc(-c4ncccc4F)c3)n12,BOIQQKFRTJDERT-UHFFFAOYSA-N,5,1,0.441,2,422,418.367,2.896,5,0.429,0.66,1.0,0.635468782125968,0.5949986292920293,0.5514015489000068,0.5618103625522582,0.5859198307175656
EOS-5-01632,CCc1nc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-c1cncn1C,WRWZXASGZWXYRE-UHFFFAOYSA-N,5,1,0.42,31,690,444.474,3.305,5,0.355,0.6,0.626,0.49248680693578234,0.4430213830443424,0.24915187444314987,0.20247926804194366,0.34678483311630454
EOS-5-01633,COc1cc(-c2nnc3cncc(CCc4cc(Cl)ncn4)n23)ccc1-c1cncs1,DICCUIMNLPXIMJ-UHFFFAOYSA-N,5,1,0.414,14,257,449.927,4.152,5,0.359,0.7,1.0,0.49479987663628267,0.4344544582276746,0.38576005756973475,0.3735264889315331,0.42213522034130624
EOS-5-01634,Fc1ccc(OCCCc2cncc3nnc(-c4ccc(-c5cccnn5)nn4)n23)nc1,SMITULJLNZKHOR-UHFFFAOYSA-N,5,1,0.34,53,766,429.419,2.584,5,0.36,0.63,0.997,0.5125505448564184,0.4967103008703996,0.0969775889246796,0.13416660955383455,0.310101261051333
EOS-5-01636,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,IBTVJQIAVPCQCE-UHFFFAOYSA-N,5,1,0.581,72,386,419.445,3.465,5,0.416,0.73,1.0,0.587194160784045,0.6231324103899664,0.4040675759029539,0.4239171407031732,0.5095778219450346
EOS-5-01637,Cn1cc(-c2nc(COc3cncc4nnc(-c5ccc(Cl)nc5)n34)ccc2Cl)cn1,PLXVXZJRKUEQTJ-UHFFFAOYSA-N,5,1,0.467,55,390,453.293,3.868,5,0.373,0.61,1.0,0.4164896168871222,0.6374905763827017,0.5610993077924749,0.6146939894455486,0.5574433726269619
EOS-5-01638,Cc1noc(-c2cc(-c3nnc4cncc(OCCc5ccnc(Cl)n5)n34)cs2)n1,ZCCPJPMYWPNNPW-UHFFFAOYSA-N,5,1,0.457,65,779,440.876,3.276,5,0.366,0.61,1.0,0.505028784867384,0.4163868137893222,0.06162189020629155,0.07269035706942636,0.26393196148310605
EOS-5-01640,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,OVUUEVKKPSUNQN-UHFFFAOYSA-N,5,1,0.633,72,386,419.445,3.465,5,0.416,0.76,1.0,0.5730244671372764,0.6472397368240697,0.5177335343705024,0.5187872661229525,0.5641962511137002
EOS-5-01642,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cncc(-c4ncon4)c3)n12,JEBKAHWFSDFILY-UHFFFAOYSA-N,5,1,0.488,2,491,424.783,3.003,5,0.419,0.69,1.0,0.5383883901034885,0.5238503186896032,0.44763895552052635,0.4923583030635323,0.5005589918442875
EOS-5-01643,COc1cc(-c2nnc3cncc(Cc4ccc(Cl)cn4)n23)ccc1-c1cncnc1,WISGEMVXCOUFOL-UHFFFAOYSA-N,5,1,0.374,14,81,429.871,3.896,5,0.418,0.65,1.0,0.5332910698375711,0.4387893221849085,0.6622746898773216,0.632067712973751,0.5666056987183881
EOS-5-01644,Fc1cncc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)c1,NGNKXWNEAIXDAD-UHFFFAOYSA-N,5,1,0.527,65,981,420.433,2.86,5,0.413,0.65,1.0,0.5616390240559249,0.6189260503049825,0.2929374271811391,0.30978856829552465,0.44582276745939275
EOS-5-01645,Fc1cncnc1COc1cncc2nnc(-c3cncc(-c4nccnc4F)c3)n12,MCPVLSGESZOTBK-UHFFFAOYSA-N,5,1,0.411,2,970,419.355,2.29,5,0.423,0.65,0.898,0.607335001028031,0.5749006236721267,0.3930505105887191,0.38958090603796863,0.49121676033171136
EOS-5-01646,Cc1cc(OCc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)ccn1,MYSDIBQYHKNRTG-UHFFFAOYSA-N,5,1,0.38,85,767,430.859,3.579,5,0.416,0.77,1.0,0.49736138715646633,0.5012679048728669,0.3557329860873141,0.33465835103831126,0.4222551572887396
EOS-5-01647,COc1cc(-c2nnc3cncc(OCCc4cncnc4)n23)ccc1-c1cscn1,UJVXIDPEURRGCR-UHFFFAOYSA-N,5,1,0.529,15,361,431.481,3.335,5,0.387,0.66,1.0,0.5487286683572065,0.3832585155232678,0.33354465081214446,0.2290281680487972,0.37364000068535397
EOS-5-01648,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cncnc1,GFTIFSSLYZLBCK-UHFFFAOYSA-N,5,1,0.56,35,234,425.452,3.273,5,0.392,0.63,1.0,0.610067850044548,0.36908025495168256,0.5177421012953191,0.38591426221643477,0.47070111712699614
EOS-5-01649,Fc1cncc(-c2nnc3cncc(OCc4ccc(F)c(-c5cncnc5)n4)n23)c1,LUPRRFRYDKWNHJ-UHFFFAOYSA-N,5,1,0.489,2,817,418.367,2.896,5,0.429,0.7,1.0,0.6158762250702488,0.6091597560139812,0.6001045164827633,0.5934137482009458,0.6046385614419847
EOS-5-01650,Fc1ccc(-c2csnn2)cc1-c1nnc2cncc(OCCc3ccnnc3)n12,UGEMFEKERXNABN-UHFFFAOYSA-N,5,1,0.566,72,386,420.433,2.86,5,0.413,0.64,1.0,0.5201579740936193,0.7153810568158454,0.3784610376259338,0.3954064149133027,0.5023516208621753
EOS-5-01651,Cc1ccc(-c2ccc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)nn2)nn1,CNPNRSOGIHLTJW-UHFFFAOYSA-N,5,1,0.443,53,670,433.382,2.599,5,0.386,0.65,1.0,0.487415187444315,0.49165581522856555,0.307381262422041,0.3158453841409088,0.40057441230895763
EOS-5-01652,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5cc(Cl)ccn5)n34)ccn2)cn1,NHMWYTYJKQNXDV-UHFFFAOYSA-N,5,1,0.573,7,99,430.859,3.579,5,0.416,0.63,1.0,0.467582756493729,0.5655198409978754,0.41435645260777193,0.40790555822082103,0.46384115208004933
EOS-5-01655,COc1cc(-c2nnc3cncc(CNCc4cc(F)ccc4F)n23)ccc1-c1cncn1C,SCJLNSQLDICXNV-UHFFFAOYSA-N,5,1,0.398,14,291,461.476,3.768,5,0.397,0.81,1.0,0.48508498389418137,0.4519138510040436,0.8104567884312247,0.717659858817079,0.6162788705366322
EOS-5-01656,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3)n12,LODXJFLLJNSGAL-UHFFFAOYSA-N,5,1,0.511,65,904,420.433,2.86,5,0.413,0.71,1.0,0.5589490096634911,0.6091683229387979,0.3186296347063258,0.32490062367212663,0.4529118977451853
EOS-5-01657,COc1cc(-c2nnc3cncc(OCCc4nn(C)cc4Cl)n23)ccc1-c1nccs1,ZZHOANCWZYXNQF-UHFFFAOYSA-N,5,1,0.495,15,777,467.942,3.932,5,0.358,0.67,1.0,0.4581163045713111,0.570017476526626,0.22760605852923035,0.2054519909533274,0.36529795764512374
EOS-5-01658,COc1ncc(-c2nnc3cncc(OCc4ncncc4F)n23)cc1-c1ncsn1,XUULPDVYGMIQEK-UHFFFAOYSA-N,5,1,0.419,7,85,437.42,2.222,5,0.39,0.71,1.0,0.47780309780001373,0.47382804468507983,0.09964190254266328,0.07465218285244328,0.2814813069700501
EOS-5-01659,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccsn3)n12,GLGWLASGQGDDJA-UHFFFAOYSA-N,5,1,0.595,58,24,426.462,2.922,5,0.382,0.59,1.0,0.48991672949078197,0.5749091905969433,0.08273079295456102,0.11657871290521554,0.3160338564868755
EOS-5-01660,Fc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4ccsn4)c3)n12,ZWJQOCUHSAZADU-UHFFFAOYSA-N,5,1,0.506,65,778,420.433,2.86,5,0.413,0.53,1.0,0.5756545130559935,0.5655284079226921,0.30015934480159,0.32188506613665957,0.44080683297923373
EOS-5-01661,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cncs1,UGVOTYYKRFHNKO-UHFFFAOYSA-N,5,1,0.588,35,103,430.493,3.94,5,0.386,0.74,1.0,0.5283993557672538,0.4207987800699061,0.47233739976697964,0.3475173051881297,0.44226321019806736
EOS-5-01662,O=C(NCc1cncc2nnc(-c3ccc(-c4ncc(F)cn4)c(F)c3)n12)C(F)(F)F,BCPZDXOSOARMOD-UHFFFAOYSA-N,5,1,0.457,68,233,435.316,2.705,4,0.495,0.76,1.0,0.4675913234185457,0.5099719004866013,0.8839096018093345,0.8290898499074772,0.6726406689054898
EOS-5-01664,Fc1cc(-c2cccnn2)cc(-c2nnc3cncc(OCc4ncncc4F)n23)c1,PLNCYSSIJJPRPH-UHFFFAOYSA-N,5,1,0.506,4,712,418.367,2.896,5,0.429,0.68,0.995,0.6296347063258173,0.5560962236995408,0.6031115070934138,0.6116013295867315,0.6001109416763758
EOS-5-01665,Fc1cccnc1CCOc1cncc2nnc(-c3cnnc(-c4cncs4)c3)n12,CRLFNSUFYDUVHK-UHFFFAOYSA-N,5,1,0.479,87,778,420.433,2.86,5,0.413,0.6,1.0,0.573033034062093,0.5700260434514427,0.21685456788431226,0.24907477211979986,0.40224710437941197
EOS-5-01666,COc1cc(-c2nnc3cncc(CCc4ccc(F)nn4)n23)ccc1-c1nccs1,KLHIGXRRJPVTSA-UHFFFAOYSA-N,5,1,0.409,14,257,433.472,3.638,5,0.404,0.64,1.0,0.492495373860599,0.4607977520389281,0.24549379754643275,0.21999006236721266,0.3546942464532931
EOS-5-01667,Fc1cnccc1CCOc1cncc2nnc(-c3cnnc(-c4ncsn4)c3)n12,UEULLHLFDWWDCR-UHFFFAOYSA-N,5,1,0.511,65,65,421.421,2.255,5,0.407,0.6,1.0,0.5434514426701391,0.5903210883421287,0.1509492152696868,0.1830152148584744,0.3669342402851073
EOS-5-01668,COc1cc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1nccs1,ONVBAZXHULUTKK-UHFFFAOYSA-N,5,1,0.429,66,233,434.403,3.102,4,0.519,0.87,1.0,0.4899252964155987,0.4563429511342608,0.7074652182852443,0.492366869988349,0.5365250839558632
EOS-5-01669,Cc1ncc(-c2cc(-c3nnc4cncc(OCc5cccc(F)c5)n34)ncn2)s1,WCYVDCWVKUBNCL-UHFFFAOYSA-N,5,1,0.472,44,488,419.445,3.731,5,0.429,0.72,0.997,0.6100764169693647,0.5420207662257556,0.40771708587485433,0.40160030155575355,0.490353642656432
EOS-5-01670,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1nccs1,BNNQQWAXKOXFKJ-UHFFFAOYSA-N,5,1,0.573,35,777,430.493,3.94,5,0.386,0.71,1.0,0.5409070659995888,0.38326708244808444,0.38576862449455146,0.27015797409361936,0.39502518675896103
EOS-5-01671,Clc1ccc(CCOc2cncc3nnc(-c4cnnc(-c5csnn5)c4)n23)cn1,BHQASQAWCJAGGS-UHFFFAOYSA-N,5,1,0.506,53,778,437.876,2.77,5,0.369,0.5,1.0,0.4372130080186416,0.5655369748475088,0.1795284764580906,0.2521845658282503,0.3586157562881228
EOS-5-01673,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccn1,CMICNEXDMYPVPY-UHFFFAOYSA-N,5,1,0.5,7,624,427.403,2.572,5,0.42,0.65,1.0,0.515009252278802,0.482437804125831,0.49292372010143237,0.40445308751970394,0.47370596600644227
EOS-5-01674,Clc1ccc(-c2nnc3cncc(OCc4nccnc4-c4cccnn4)n23)cn1,WNRNYGULZHFYBO-UHFFFAOYSA-N,5,1,0.435,55,875,417.82,2.666,5,0.397,0.59,0.94,0.5434600095949558,0.7647608114591187,0.17953704338290727,0.24348913713933246,0.43281175039407854
EOS-5-01675,COc1cc(-c2nnc3cncc(COCCc4ccc(Cl)cc4)n23)ccc1-c1cncnc1,XSRCBIACUQXYBZ-UHFFFAOYSA-N,5,1,0.436,14,257,472.936,4.67,5,0.303,0.67,1.0,0.5230878623809198,0.4738366116098965,0.7761805222397368,0.7310071276814475,0.6260280309780002
EOS-5-01676,COc1cc(-c2nnc3cncc(OCc4cccc(C#N)n4)n23)ccc1-c1ncsn1,WASWXPALIRKFEY-UHFFFAOYSA-N,5,1,0.522,4,248,442.464,3.164,5,0.39,0.63,1.0,0.4751302172572133,0.43879788910972517,0.3592711260365979,0.24908333904461655,0.38057064286203823
EOS-5-01677,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cnsc3)n12,OBRCXLNFIJYGPJ-UHFFFAOYSA-N,5,1,0.512,58,271,426.462,2.922,5,0.382,0.57,1.0,0.48993386334041533,0.5561047906243575,0.11861764101158248,0.15325371804537044,0.3294775032554314
EOS-5-01678,CC#Cc1cc(-c2cncn2C)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,ZQAUAVZISYMEMD-UHFFFAOYSA-N,5,1,0.478,26,619,435.491,3.58,5,0.379,0.65,1.0,0.5487372352820231,0.3107394969501748,0.5839901309026112,0.45246213419231035,0.47398224933177985
EOS-5-01680,Cc1cnnc(-c2cncc(-c3nnc4cncc(OCc5cc(F)cc(F)n5)n34)c2)n1,LPIYFLVIQAMENK-UHFFFAOYSA-N,5,1,0.472,2,875,433.382,2.599,5,0.386,0.64,1.0,0.46999862929202935,0.49671886779521623,0.3745973545336166,0.36376019464053183,0.4262687615653485
EOS-5-01681,CCc1nc(-c2nnc3cncc(COc4ccnc(Cl)n4)n23)ccc1-c1ccccn1,XKPQVMFKDIBKMA-UHFFFAOYSA-N,5,1,0.364,85,920,444.886,3.833,5,0.364,0.6,0.789,0.4488725926941265,0.4916643821533822,0.18603077239394147,0.1856281269275581,0.3280489685422521
EOS-5-01682,Cc1nccc(COc2cncc3nnc(-c4ccc(-c5cncs5)nc4F)n23)n1,IRJJYTITHUXRNK-UHFFFAOYSA-N,5,1,0.466,7,143,420.433,3.126,5,0.4,0.54,1.0,0.5356898087862381,0.6325902953875677,0.2135134672058118,0.177378178329107,0.3897929374271812
EOS-5-01683,COc1ccc(-c2nnc3cncc(OCc4cccc(C#N)n4)n23)cc1-c1cncs1,IWMREVQHJCAWLA-UHFFFAOYSA-N,5,1,0.534,4,61,441.476,3.769,5,0.391,0.72,1.0,0.4440922486464259,0.509980467411418,0.564526077719142,0.41758618326365565,0.48404624426016035
EOS-5-01684,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cccnn3)n12,CSFHWIIEROQICV-UHFFFAOYSA-N,5,1,0.529,72,386,420.433,2.86,5,0.413,0.69,1.0,0.5306867246933041,0.6472483037488863,0.2671424165581523,0.3065074360907409,0.4378962202727709
EOS-5-01685,Clc1cccc(COc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)n1,SKWREBMKNDWJFR-UHFFFAOYSA-N,5,1,0.537,24,786,421.873,3.937,5,0.397,0.72,1.0,0.5025443766705503,0.6523713247892536,0.40772565279967105,0.43956891234322526,0.500552566650675
EOS-5-01686,COc1cc(-c2nnc3cncc(CCc4cncc(Cl)n4)n23)ccc1-c1cnsc1,DZPPVTNCMULGDF-UHFFFAOYSA-N,5,1,0.424,20,172,449.927,4.152,5,0.384,0.58,1.0,0.47513878418203004,0.4208073469947228,0.35927969296141454,0.3766619834144336,0.4079719518881502
EOS-5-01687,COc1cc(-c2nnc3cncc(CNCCc4ccc(F)c(F)c4)n23)ccc1-c1cnco1,RBSOKWWSPPMGAF-UHFFFAOYSA-N,5,1,0.47,14,257,462.46,4.065,5,0.348,0.73,1.0,0.502552943595367,0.3832756493729011,0.7934171749708725,0.7067284627510109,0.5964935576725379
EOS-5-01688,COc1cc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1cnsn1,CGVUPNSBYBPGAS-UHFFFAOYSA-N,5,1,0.42,68,233,435.391,2.497,4,0.513,0.71,1.0,0.489942430265232,0.4253049825234734,0.6565691179494209,0.45879309163182785,0.5076524055924885
EOS-5-01690,COc1cc(-c2nnc3cncc(CNC(=O)c4ccccc4F)n23)ccc1-c1cccnn1,YZFXJJYQMPDZHQ-UHFFFAOYSA-N,5,1,0.525,14,257,455.453,3.326,5,0.418,0.81,1.0,0.44176204509629224,0.5012764717976835,0.4962733877047495,0.4044616544445206,0.46094338976081145
EOS-5-01691,COc1cc(-c2nnc3cncc(CNCc4ccc(F)cn4)n23)ccc1-c1ccc(C#N)cn1,SBEXLZYGFYCUGU-UHFFFAOYSA-N,5,1,0.358,60,41,466.48,3.557,5,0.387,0.79,1.0,0.4948084435610993,0.42531354944829003,0.692053320540059,0.602126310739497,0.5535754060722363
EOS-5-01692,N#Cc1cc(-c2cscn2)cc(-c2nnc3cncc(Oc4cnc(C#N)cn4)n23)c1,HKSOWKNWOGNJOM-UHFFFAOYSA-N,5,1,0.352,75,412,423.421,3.24,5,0.426,0.58,1.0,0.5538259886231238,0.4738451785347132,0.5935251182235625,0.5325029127544376,0.5384247995339593
EOS-5-01693,COc1cc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)ccc1-c1cscn1,FPHBDYPJHWJBCJ-UHFFFAOYSA-N,5,1,0.363,85,257,465.489,4.416,5,0.367,0.62,1.0,0.48995099719004864,0.429802618052224,0.6478394215612364,0.40791412514563774,0.4938767904872867
EOS-5-01694,COc1cc(-c2nnc3cncc(CNC(=O)c4ccncc4F)n23)ccc1-c1cscn1,RFWIRQISKMUCEK-UHFFFAOYSA-N,5,1,0.505,14,257,461.482,3.388,5,0.413,0.86,1.0,0.4751473511068467,0.43446302515249124,0.40407614282777055,0.29393119045987254,0.40190442738674526
EOS-5-01695,COc1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1-c1nccs1,WKFIOIPGYOXLDI-UHFFFAOYSA-N,5,1,0.659,11,796,430.493,3.94,5,0.386,0.68,1.0,0.5175793297238024,0.4068261256939209,0.30738982934685766,0.2114916729490782,0.3608217394284147
EOS-5-01696,C#Cc1ccc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)c4)n23)nn1,KWQPWVMMHLCINW-UHFFFAOYSA-N,5,1,0.5,15,777,455.503,3.316,5,0.345,0.67,1.0,0.47515591803166335,0.41639538071413884,0.2529555890617504,0.1665153176615722,0.3277555513672812
EOS-5-01697,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ccc(Cl)nn5)nn4)n23)ccn1,WTLODHOACQDPKM-UHFFFAOYSA-N,5,1,0.317,53,920,435.81,2.805,5,0.384,0.61,0.984,0.4560002741415941,0.4967274347200329,0.3482197930230964,0.42105578781440617,0.4305008224247824
EOS-5-01698,CCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)cn2)nn1,LMDNXTLVMSIQHC-UHFFFAOYSA-N,5,1,0.5,65,981,425.456,2.617,5,0.388,0.67,1.0,0.5201665410184361,0.48244637105064764,0.06536563635117539,0.05927455280652457,0.2818132753066959
EOS-5-01699,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ccccn1,SZLLZOJKPQOSKK-UHFFFAOYSA-N,5,1,0.364,14,920,427.443,3.924,5,0.379,0.64,0.996,0.48742375436913166,0.5238588856144198,0.3820248783496676,0.3538482626276472,0.43678894524021655
EOS-5-01700,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccsn1,YTTHIIQOGARGBJ-UHFFFAOYSA-N,5,1,0.573,35,777,430.493,3.94,5,0.386,0.71,1.0,0.5332996367623878,0.3690888218764992,0.43677609485299157,0.3280875197039271,0.4168130182989514
EOS-5-01701,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4csnn4)c3)n12,QURDVMLLQSFJTR-UHFFFAOYSA-N,5,1,0.53,75,241,420.433,2.86,5,0.386,0.71,0.999,0.5674816667808923,0.5420293331505722,0.27468131039682,0.28200603111507094,0.41654958536083886
EOS-5-01702,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4nc(C#N)ccc4F)n23)ccn1,NPWAYIMYOVNBLX-UHFFFAOYSA-N,5,1,0.467,7,624,427.403,2.572,5,0.42,0.62,1.0,0.5050373517922007,0.47385374545952985,0.4895997532725653,0.41759475018847236,0.471521400178192
EOS-5-01703,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cnc(C)cn1,FAEYADGWFMAAHP-UHFFFAOYSA-N,5,1,0.32,85,920,442.458,3.627,5,0.367,0.56,0.799,0.4465595229936262,0.47842848331163046,0.27468987732163663,0.21713727640326227,0.3542037900075389
EOS-5-01704,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(F)nc4)n23)ccc1-c1nccs1,QEDSQBTZMWZQDZ-UHFFFAOYSA-N,5,1,0.485,14,257,461.482,3.388,5,0.386,0.77,1.0,0.45812487149612774,0.465106915221712,0.34415050373517925,0.22903673497361388,0.3741047563566582
EOS-5-01705,COc1cc(-c2nnc3cncc(OCCc4cccnn4)n23)ccc1-c1cccnn1,FEWCHBQUINHPIF-UHFFFAOYSA-N,5,1,0.5,72,925,426.44,2.668,5,0.387,0.72,1.0,0.5487458022068399,0.397282571448153,0.23846035227194845,0.1692310328284559,0.33842993968884927
EOS-5-01706,Fc1ccnc(CCOc2cncc3nnc(-c4ccnc(-c5ncno5)c4)n23)c1F,RCEVGKLMQYMDIV-UHFFFAOYSA-N,5,1,0.468,75,624,422.355,2.531,5,0.407,0.6,0.999,0.5784644643958604,0.44302994996915906,0.3706137344938661,0.3798574463710506,0.44299139880748406
EOS-5-01707,COc1cc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1cnc(C)s1,NGKDFILDANEXCN-UHFFFAOYSA-N,5,1,0.424,66,233,448.43,3.41,4,0.503,0.82,1.0,0.4604036734973614,0.43447159207730796,0.7150897813720787,0.47720341306284697,0.5217921150023987
EOS-5-01708,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1ccnnc1,AVSYNEZAFUZQMR-UHFFFAOYSA-N,5,1,0.619,15,202,425.452,3.273,5,0.392,0.69,1.0,0.5538345555479405,0.40226852169145366,0.447647522445343,0.32809608662874373,0.4329616715783702
EOS-5-01709,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cccnc1,CXIQMUZKMFIXDT-UHFFFAOYSA-N,5,1,0.553,35,846,425.452,3.273,5,0.392,0.73,1.0,0.5589575765883079,0.38795319032280173,0.4040847097525872,0.30651600301555754,0.4143778699198136
EOS-5-01710,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cnc(C)cn1,GBNXHCXPDZNRSU-UHFFFAOYSA-N,5,1,0.534,35,426,439.479,3.582,5,0.379,0.71,1.0,0.5434685765197724,0.2542320608594339,0.4143650195325886,0.26129977383318487,0.36834135768624493
EOS-5-01711,COc1cc(-c2nnc3cncc(CNC(=O)c4cnnc(F)c4)n23)ccc1-c1cncs1,QYIRDPMCUWZXMS-UHFFFAOYSA-N,5,1,0.49,14,257,462.47,2.783,5,0.409,0.66,1.0,0.45139983551504353,0.4784370502364471,0.2783650880679871,0.18850661366595847,0.3491771468713591
EOS-5-01712,Cc1ncccc1COc1cncc2nnc(-c3cncc(-c4cc(F)ccn4)c3)n12,SUDITKODFZYIIQ-UHFFFAOYSA-N,5,1,0.457,2,422,413.416,3.67,5,0.434,0.72,1.0,0.7564680282365842,0.6277928174902337,0.612158179699815,0.555419436639024,0.6379596155164142
EOS-5-01714,CC(=O)Nc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1F,GOPPMHXUWSHPSZ-UHFFFAOYSA-N,5,1,0.624,90,636,426.839,3.559,4,0.474,0.83,1.0,0.6501953258858201,0.19016003015557537,0.6297118086491673,0.5355955726132547,0.5014156843259544
EOS-5-01715,Fc1cc(F)nc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1,HMXMJMXZLBWMHN-UHFFFAOYSA-N,5,1,0.568,24,912,423.408,3.562,5,0.399,0.7,1.0,0.517587896648619,0.5238674525392365,0.5902782537180453,0.5746950174765266,0.5516071550956069
EOS-5-01716,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,QRQMRJXBSSMHEF-UHFFFAOYSA-N,5,1,0.536,58,271,420.433,2.86,5,0.386,0.64,1.0,0.5434771434445891,0.5700346103762594,0.2238623123843465,0.24618771845658283,0.3958904461654444
EOS-5-01717,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccnnc1,LSEZLKWBBKNAQU-UHFFFAOYSA-N,5,1,0.566,35,103,425.452,3.273,5,0.392,0.67,1.0,0.5730416009869097,0.3593739291343979,0.5242272633815366,0.3954149818381194,0.46301444383524093
EOS-5-01718,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4nc(Cl)ncc4F)n23)ccn1,CFXPWEFYIGUPOJ-UHFFFAOYSA-N,5,1,0.467,7,486,437.826,2.748,5,0.386,0.65,1.0,0.46041224042217804,0.45192241792886023,0.314911589335892,0.3127013227331917,0.3849868926050305
EOS-5-01719,COc1cc(-c2nnc3cncc(CN(C)Cc4cccc(F)n4)n23)ccc1-c1cscn1,HYNPUFMOQWKNLA-UHFFFAOYSA-N,5,1,0.412,14,257,461.526,4.09,5,0.338,0.74,1.0,0.4581334384209444,0.45193098485367694,0.39305907751353575,0.30313206771297374,0.40156389212528265
EOS-5-01720,COc1cc(-c2nnc3cncc(CCC4CCCC4)n23)ccc1-c1cnc(Cl)nn1,MBQBLXIGNCWANR-UHFFFAOYSA-N,5,1,0.402,5,741,435.919,4.428,5,0.442,0.8,0.998,0.4778116647248304,0.42081591391953943,0.013612843533685148,0.11881468028236584,0.2577637756151052
EOS-5-01723,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-n1cc(Cl)cn1,BIPPWIMFXHCBIP-UHFFFAOYSA-N,5,1,0.533,37,141,482.331,4.309,5,0.341,0.68,1.0,0.6158847919950654,0.5515814543211569,0.6092796929614146,0.6052361044479474,0.5954955109313961
EOS-5-01724,Fc1cc(F)c(F)c(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)c1,NJKAHERTIICCCQ-UHFFFAOYSA-N,5,1,0.524,23,385,407.302,3.503,4,0.288,0.65,1.0,0.9268984305393736,0.9240199438009732,0.9631707902131451,0.962913782468645,0.9442507367555342
EOS-5-01725,Fc1cnc(-c2ccc(F)c(COc3cncc4nnc(-c5cncnc5)n34)n2)nc1,WYTOTOCVKIYKMI-UHFFFAOYSA-N,5,1,0.429,73,775,419.355,2.29,5,0.423,0.56,0.923,0.5730501679117264,0.542037900075389,0.3149201562607087,0.334666917963128,0.441168785552738
EOS-5-01726,Clc1ccc(-c2nnc3cncc(OCc4cc(-c5cncnc5)ncn4)n23)cn1,BMZXWZQYTUXYRM-UHFFFAOYSA-N,5,1,0.444,7,354,417.82,2.666,5,0.397,0.61,1.0,0.5100490028099514,0.777516962511137,0.3820334452744843,0.3859228291412515,0.513880559934206
EOS-5-01727,COc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)ccc1C(N)=O,DXLUIVMGOZYGHD-UHFFFAOYSA-N,5,1,0.4,0,862,446.442,2.597,5,0.469,0.83,1.0,0.48256630799808103,0.3544051127407306,0.30016791172640667,0.252193132753067,0.3473331163045713
EOS-5-01728,N#Cc1cc(-c2nnco2)cc(-c2nnc3cncc(OCc4ncncc4F)n23)c1,LQUJOIXRQSHNID-UHFFFAOYSA-N,5,1,0.436,36,875,415.348,2.221,5,0.419,0.65,0.999,0.6960026728805428,0.5561133575491741,0.47554999657323005,0.44614831060242616,0.5434535844013433
EOS-5-01731,COc1cc(-c2nnc3cncc(CNCc4cccc(F)c4F)n23)ccc1-c1cscn1,GKSXIWMVPABNIM-UHFFFAOYSA-N,5,1,0.385,14,257,464.501,4.491,5,0.382,0.8,1.0,0.4652696867932287,0.4388064560345418,0.8215595229936262,0.7519446919333836,0.619395089438695
EOS-5-01732,Fc1cc(-c2cncs2)cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)c1,ZYZCOKREPTXKLT-UHFFFAOYSA-N,5,1,0.633,97,439,422.42,4.167,5,0.396,0.69,1.0,0.5150178192036187,0.5420464670002056,0.7693355493112193,0.7622849701871016,0.6471712014255363
EOS-5-01733,Cn1ccnc1-c1ccc(-c2nnc3cncc(COc4ccnc(F)c4)n23)cc1F,CFEFXACBPCJBHN-UHFFFAOYSA-N,5,1,0.404,14,767,419.395,3.444,5,0.406,0.69,1.0,0.5512730450277569,0.57491775752176,0.7283428140634638,0.6784490439311904,0.6332456651360427
EOS-5-01734,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5csnn5)c4)n23)ccc1F,YASQTZDNXSIUQW-UHFFFAOYSA-N,5,1,0.506,4,486,431.416,2.69,5,0.412,0.66,1.0,0.4417706120211089,0.532879857446371,0.37062230141868274,0.35385682955246384,0.4247824001096566
EOS-5-01735,COc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)sc1-c1cscn1,XERLFCNLOVZYQM-UHFFFAOYSA-N,5,1,0.444,18,578,470.967,4.655,5,0.32,0.56,1.0,0.5150263861284353,0.3879617572476184,0.32585155232677676,0.3127098896580084,0.3853873963402097
EOS-5-01736,COc1cc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1-c1cccnc1OC,HZJDMVHTPGVAKQ-UHFFFAOYSA-N,5,1,0.554,15,103,488.935,4.54,5,0.314,0.64,1.0,0.7993197861695566,0.7603745459529847,0.6031200740182304,0.45553766020149405,0.6545880165855664
EOS-5-01737,Clc1cnc(COc2cncc3nnc(-c4cncc(-c5cncs5)c4)n23)nc1,GCSYDAWMCGXLQO-UHFFFAOYSA-N,5,1,0.451,2,419,422.861,3.332,5,0.424,0.63,1.0,0.5050459187170173,0.5469210472208896,0.26715098348296895,0.31271845658282504,0.4079591015009253
EOS-5-01738,COc1c(C(N)=O)ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c1F,FEJHWFLMBNOGBU-UHFFFAOYSA-N,5,1,0.386,0,999,464.432,2.736,5,0.452,0.82,0.997,0.4874323212939483,0.37376636282639986,0.38204201219930095,0.35070420121993007,0.3984862243848948
EOS-5-01739,COc1cc(-c2nnc3cncc(CN(C)Cc4ccc(F)cc4)n23)ccc1-c1nccs1,JMVULBMOKTYQRV-UHFFFAOYSA-N,5,1,0.447,14,257,460.538,4.695,5,0.351,0.82,1.0,0.4282605715852238,0.5012850387225002,0.577727708861627,0.4832944966074978,0.4976419539442122
EOS-5-01740,COc1cc(-c2nnc3cncc(CNC(=O)C4CC(F)(F)C4)n23)ccc1-c1cscn1,YZQAIBCKFFWSLW-UHFFFAOYSA-N,5,1,0.404,5,966,456.478,3.585,5,0.477,0.7,1.0,0.4581420053457611,0.4022770886162703,0.4513227331916935,0.43957747926804197,0.43782982660544173
EOS-5-01741,Cc1ncccc1COc1cncc2nnc(-c3cncc(-c4nccnc4F)c3)n12,CBLJCJNWGSBNDI-UHFFFAOYSA-N,5,1,0.426,2,970,414.404,3.065,5,0.432,0.74,1.0,0.6960112398053595,0.6043451442670139,0.41437358645740524,0.3410407100267288,0.5139426701391269
EOS-5-01742,COc1cc(-c2nnc3cncc(CNC(=O)c4ncc(Cl)cn4)n23)ccc1-c1cscn1,CSGQTLMQNMJFPD-UHFFFAOYSA-N,5,1,0.451,14,257,478.925,3.297,5,0.394,0.76,1.0,0.5730587348365431,0.4519395517784936,0.1268418888355836,0.10711226098279762,0.3147381091083545
EOS-5-01743,COc1cc(-c2nnc3cncc(CN(C)Cc4ccc(F)cc4)n23)ccc1-c1cnsc1,KREFIYRJVTTWQD-UHFFFAOYSA-N,5,1,0.457,14,257,460.538,4.695,5,0.351,0.75,1.0,0.4324497978205743,0.47844561716126377,0.6837005688438078,0.605244671372764,0.5499601637996024
EOS-5-01744,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cccnc1OC,SLTZICAPPQPTAL-UHFFFAOYSA-N,5,1,0.553,35,103,454.49,3.887,5,0.348,0.73,1.0,0.512559111781235,0.2644267013912686,0.5104002467274347,0.3065245699403742,0.3984776574600781
EOS-5-01745,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnn5)c(OC)c4)n23)cc1F,YQQVITCGTXLGDL-UHFFFAOYSA-N,5,1,0.33,62,697,469.48,3.813,5,0.403,0.79,1.0,0.4652782537180454,0.4608063189637448,0.547966212048523,0.41131519429785485,0.471341494757042
EOS-5-01746,COc1cccc(NCc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1F,GDZQCTLMOHFTFM-UHFFFAOYSA-N,5,1,0.42,48,678,417.366,4.57,4,0.482,0.83,1.0,0.5842985401960112,0.59967617024193,0.9924525392365157,0.9696645192241793,0.7865229422246591
EOS-5-01747,Clc1cc(-c2nnc3cncc(OCC4CCOCC4)n23)ccc1-c1nccs1,XDYWAEFHKHPOOU-UHFFFAOYSA-N,5,1,0.524,78,548,427.917,4.374,5,0.47,0.82,1.0,0.4536186690425605,0.5328884243711877,0.10728359947913096,0.3507127681447468,0.3611258652594065
EOS-5-01748,COc1cc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1nncs1,QGPUWTQPWRGHHH-UHFFFAOYSA-N,5,1,0.424,66,233,435.391,2.497,4,0.513,0.71,1.0,0.46528682064286203,0.41176924131313825,0.6092882598862313,0.40447022136933725,0.47270363580289215
EOS-5-01749,N#Cc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5csnn5)c4)n23)n1,AFZZZJGODODQTO-UHFFFAOYSA-N,5,1,0.457,7,486,432.404,2.085,5,0.405,0.63,1.0,0.44410081557124254,0.49167294907819886,0.16026146254540471,0.16652388458638887,0.31563977794530873
EOS-5-01750,CN(Cc1ccc(Cl)cc1)Cc1cncc2nnc(-c3ccc(-c4nccn4C)c(F)c3)n12,JEAMJVFULLTRES-UHFFFAOYSA-N,5,1,0.429,14,358,461.932,4.616,5,0.369,0.78,1.0,0.41649818381193887,0.5192327462134192,0.707473785210061,0.7281029401685971,0.5928269138510041
EOS-5-01751,Fc1cc(F)nc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1,RIWPTERAGHUAJQ-UHFFFAOYSA-N,5,1,0.506,2,422,423.408,3.562,5,0.399,0.75,1.0,0.5001199369474334,0.5147179768350353,0.5645346446439586,0.5554280035638407,0.5337001404975671
EOS-5-01752,COc1cc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1nccn1C,HOCPZRAOSVOYHW-UHFFFAOYSA-N,5,1,0.369,14,351,431.431,3.314,5,0.381,0.79,1.0,0.48010760057569735,0.40683469261873756,0.5611078747172915,0.40447878829415396,0.46313223905147005
EOS-5-01753,Fc1cc(CCOc2cncc3nnc(-c4cc(-c5ccncn5)ncn4)n23)ccn1,HCUMDKTURAVKBU-UHFFFAOYSA-N,5,1,0.438,18,194,415.392,2.194,5,0.385,0.62,1.0,0.6928928791720924,0.5147265437598519,0.2965184017545062,0.2729079569597697,0.44426144541155504
EOS-5-01754,Cc1ccc(F)c(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)n1,ZTQJGDJLZKISIU-UHFFFAOYSA-N,5,1,0.467,2,422,419.445,3.731,5,0.429,0.72,1.0,0.5616475909807416,0.5192413131382358,0.36671578370228225,0.3281046535535604,0.443927335343705
EOS-5-01755,COc1cc(-c2nnc3cncc(OCCc4cccnc4C)n23)ccc1-c1cnco1,LWPDUJWWRYEDQI-UHFFFAOYSA-N,5,1,0.548,35,103,428.452,3.78,5,0.386,0.78,1.0,0.5616561579055582,0.26443526831608527,0.4441350832705092,0.27913611130148724,0.38734065519840993
EOS-5-01756,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,MKZGPLWNDXKYDV-UHFFFAOYSA-N,5,1,0.581,58,24,420.433,2.86,5,0.386,0.61,1.0,0.515034953053252,0.5802635186073607,0.1665667192104722,0.19116236035912548,0.3632568878075526
EOS-5-01757,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(C#N)cn4)n23)ccc1-c1ccc(F)nn1,RUNSALAWNKUBBH-UHFFFAOYSA-N,5,1,0.439,14,257,481.451,2.593,5,0.387,0.77,1.0,0.5756630799808101,0.5375830991707217,0.4077342197244877,0.30010794325269,0.4552720855321774
EOS-5-01758,COc1cc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1ccsn1,WZZHURDQWDAWGG-UHFFFAOYSA-N,5,1,0.429,66,233,434.403,3.102,4,0.519,0.77,1.0,0.45815057227057776,0.4253221163731067,0.7509937632787335,0.5587177026934411,0.5482960386539648
EOS-5-01759,Cn1cc(CCOc2cncc3nnc(-c4cc(-c5ncno5)ccc4Cl)n23)cn1,YGPRWNAPIKNTFQ-UHFFFAOYSA-N,5,1,0.547,37,847,422.836,2.85,5,0.411,0.68,1.0,0.47516448495648,0.5903296552669454,0.30392879172092385,0.31585395106572545,0.4213192207525187
EOS-5-01760,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(C#CCO)c4)n23)cc1F,MKZYPWHRMNFYRV-UHFFFAOYSA-N,5,1,0.33,0,188,461.884,3.487,5,0.454,0.84,0.995,0.42115859091220614,0.49673600164484955,0.7893221849085053,0.8410749777259955,0.6370729387978891
EOS-5-01761,Fc1ccnc(-c2cncc(-c3nnc4cncc(OCc5cccc(F)n5)n34)c2)c1,FOJPQSWGPWJTKK-UHFFFAOYSA-N,5,1,0.506,2,422,417.379,3.501,5,0.404,0.68,1.0,0.5872027277088616,0.5749263244465767,0.7256442327462134,0.7203841409087793,0.6520393564526078
EOS-5-01763,Clc1cccc(COc2cncc3nnc(-c4cccc(-c5nncs5)c4)n23)n1,MCSRUMWODWPLOV-UHFFFAOYSA-N,5,1,0.512,72,31,421.873,3.937,5,0.397,0.72,1.0,0.48744088821876497,0.590338222191762,0.4143821533822219,0.46487560825166196,0.4892592180111027
EOS-5-01764,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cccnn1,HKDUNRPTWBSGMG-UHFFFAOYSA-N,5,1,0.32,85,920,428.431,3.319,5,0.38,0.58,0.997,0.4560088410664108,0.49674456856966626,0.28932218490850525,0.26739942430265234,0.37736875471180864
EOS-5-01765,COc1cc(-c2nnc3cncc(CCc4ccnc(F)c4)n23)ccc1-c1cnco1,GSULGTRYDZZASK-UHFFFAOYSA-N,5,1,0.414,14,257,416.416,3.774,5,0.389,0.7,1.0,0.6413199917757522,0.5238760194640532,0.629720375573984,0.5289819066547872,0.5809745733671441
EOS-5-01766,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)c5ccccc5)cc4)n23)c(F)c1F,CFPPBEIGNYOBOG-UHFFFAOYSA-N,5,1,0.351,79,504,469.451,4.327,5,0.387,0.91,1.0,0.45362723596737714,0.4695531492015626,0.8341871701733946,0.7745699403742032,0.6329843739291343
EOS-5-01768,COc1cc(-c2nnc3cncc(CNC(=O)c4ccnc(F)c4)n23)ccc1-c1cscn1,RVIHFMQCESUAAR-UHFFFAOYSA-N,5,1,0.52,14,257,461.482,3.388,5,0.386,0.82,1.0,0.44177917894592555,0.4344801590021246,0.41078404495922144,0.2820145980398876,0.3922644952367898
EOS-5-01769,COc1cc(-c2nnc3cncc(CNC(=O)CC(F)(F)F)n23)ccc1-c1cscn1,HTXPBGIJWPAUPH-UHFFFAOYSA-N,5,1,0.416,5,966,448.43,3.492,4,0.485,0.84,1.0,0.4372215749434583,0.4164039476389555,0.6945462956617092,0.5021331642793503,0.5125762456308683
EOS-5-01771,CCc1nc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccc1-c1ncc(Cl)cn1,ZRRANBDKSRRYDI-UHFFFAOYSA-N,5,1,0.39,46,717,487.886,3.844,5,0.35,0.55,0.991,0.7206068809540127,0.7384946199712151,0.3482283599479131,0.3670413268453156,0.5435927969296142
EOS-5-01772,COc1cc(-c2nnc3cncc(CNC(=O)c4cccc(F)c4)n23)ccc1-c1cccnn1,XSJYOAUOVQUZGW-UHFFFAOYSA-N,5,1,0.663,14,257,455.453,3.326,5,0.418,0.78,1.0,0.4211671578370228,0.46081488588856145,0.5140668905489686,0.4113237612226715,0.45184317387430606
EOS-5-01773,COc1cc(-c2nnc3cncc(CNCc4ncc(F)cn4)n23)ccc1-c1cncnc1,BLMKZRAHJCCMJM-UHFFFAOYSA-N,5,1,0.343,51,41,443.446,2.476,5,0.405,0.69,1.0,0.480116167500514,0.31590535261462543,0.3073983962716743,0.23765506133918168,0.33526874443149884
EOS-5-01774,N#Cc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5cocn5)c4)n23)n1,JJJRKTZVWUMDFV-UHFFFAOYSA-N,5,1,0.512,24,912,414.36,2.826,5,0.426,0.59,1.0,0.6870159687478583,0.5855064765951614,0.5208518950037695,0.4682252758549791,0.565399904050442
EOS-5-01775,Fc1cc(Cl)cnc1COc1cncc2nnc(-c3cncc(-c4csnn4)c3)n12,MOPMDPHGVOVFEZ-UHFFFAOYSA-N,5,1,0.461,2,875,440.851,3.471,5,0.409,0.59,1.0,0.41415084641217187,0.48731238434651497,0.48960832019738193,0.5587262696182578,0.4874494551435816
EOS-5-01776,Fc1cc(F)nc(COc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)c1,IBSKSYQALMAKHE-UHFFFAOYSA-N,5,1,0.506,2,422,423.408,3.562,5,0.399,0.61,1.0,0.48995956411486535,0.5147351106846686,0.6326930984853677,0.620536632170516,0.5644811013638544
EOS-5-01777,COc1cc(-c2nnc3cncc(CN(C)Cc4cccc(F)c4)n23)ccc1-c1ncsn1,ZVTHNFAVQVQQCF-UHFFFAOYSA-N,5,1,0.457,14,257,461.526,4.09,5,0.361,0.77,1.0,0.4211757247618395,0.4784541840860805,0.4367846617778082,0.37667055033925023,0.4282712802412446
EOS-5-01778,COc1cc(-c2nnc3cncc(CNC(=O)C(C)(C)C)n23)ccc1-c1cc(Cl)cnn1,NTKZPHKXWOXDAB-UHFFFAOYSA-N,5,1,0.426,5,966,451.918,3.573,4,0.494,0.78,1.0,0.4346857651977246,0.4164125145637722,0.21014666575286134,0.09881947776026317,0.29001610581865533
EOS-5-01779,CCCn1cc(-c2ccc(-c3nnc4cncc(OCCc5cccnc5)n34)c(F)c2)nn1,VAMWCZPGJFFTKV-UHFFFAOYSA-N,5,1,0.556,37,619,444.474,3.615,5,0.361,0.76,1.0,0.43049653896237405,0.42981118497704063,0.2238708793091632,0.24049071345349873,0.33116732917551917
EOS-5-01780,COc1cc(-c2nnc3cncc(CN(C)c4ncc(Cl)cn4)n23)ccc1-c1nnco1,MDQUAEWIRJXBEP-UHFFFAOYSA-N,5,1,0.396,85,351,449.862,2.93,5,0.382,0.7,1.0,0.4581591391953944,0.34972757179082997,0.0827393598793777,0.05779247481324104,0.2371046364197108
EOS-5-01781,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(Cl)nn4)n23)ccc1-c1cncs1,ODVXRRXJNGZKDB-UHFFFAOYSA-N,5,1,0.441,14,257,478.925,3.297,5,0.394,0.78,1.0,0.5255637036529367,0.5012936056473168,0.18603933931875813,0.1559265985881708,0.3422058118017956
EOS-5-01783,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5cccc(F)c5)nn4)n23)cn1,ARWJTWZYTGBGDK-UHFFFAOYSA-N,5,1,0.411,96,586,428.387,2.674,5,0.452,0.82,0.999,0.45816770612021107,0.4651154821465287,0.30740696319649097,0.29693818107052294,0.38190708313343846
EOS-5-01784,Cn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4ccc(Cl)nc4)n23)c1,ADRAJEHKVVADCM-UHFFFAOYSA-N,5,1,0.43,31,466,433.863,2.652,5,0.376,0.59,1.0,0.46759989034336236,0.3785381399492838,0.29294599410595573,0.30653313686519085,0.36140429031594823
EOS-5-01786,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccn1,PMCCNUULUJJPJF-UHFFFAOYSA-N,5,1,0.518,75,624,416.42,2.742,5,0.393,0.72,1.0,0.6561579055582208,0.4738623123843465,0.3968113905832362,0.33787094784456173,0.4661756390925913
EOS-5-01788,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,RBBYKVFFINRLQK-UHFFFAOYSA-N,5,1,0.536,37,795,420.433,2.86,5,0.413,0.65,1.0,0.494817010485916,0.5855150435199781,0.21352203413062848,0.24619628538139948,0.3850125933794805
EOS-5-01789,COc1cc(-c2nnc3cncc(OCCc4cccnc4F)n23)ccc1-n1cnc(C)n1,ANWSIHZOKBJNMB-UHFFFAOYSA-N,5,1,0.489,15,771,446.446,2.845,5,0.352,0.67,1.0,0.4465680899184429,0.36402576930984853,0.32950106229867726,0.21714584332807896,0.33931019121376194
EOS-5-01790,Fc1ccnc(COc2cncc3nnc(-c4cc(-c5nccs5)ccn4)n23)c1F,FGRKJJCCDSCRFQ-UHFFFAOYSA-N,5,1,0.438,46,181,423.408,3.562,5,0.427,0.63,1.0,0.5076159961620177,0.45194811870331025,0.5208604619285861,0.5220255637036529,0.5006125351243917
EOS-5-01791,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(Cl)nn4)n23)ccc1-c1cscn1,QWJNUWYQDAXECQ-UHFFFAOYSA-N,5,1,0.433,14,257,478.925,3.297,5,0.394,0.79,1.0,0.5255722705777535,0.4873209512713316,0.17316325131930643,0.14590329655266945,0.33298994243026525
EOS-5-01792,COCc1n[nH]c(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)cc2F)n1,AXDNVEJXSFAWDQ-UHFFFAOYSA-N,5,1,0.406,68,233,450.356,2.04,4,0.431,0.66,1.0,0.4165067507367555,0.4430385168939757,0.6297289424988006,0.5021417312041669,0.49785398533342473
EOS-5-01793,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ccn1,LFOMNFIQFBTZFM-UHFFFAOYSA-N,5,1,0.524,24,910,419.395,3.444,5,0.434,0.71,1.0,0.5812058803371941,0.43448872592694127,0.7761890891645535,0.7310156946062641,0.6307248475087383
EOS-5-01794,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)n1,DKKDJVNWHUGHFN-UHFFFAOYSA-N,5,1,0.575,24,912,421.873,3.937,5,0.397,0.7,1.0,0.4825748749228977,0.5561219244739908,0.3482369268727298,0.38291583853060107,0.4424623912000548
EOS-5-01795,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CCc3cncc(Cl)n3)n12,CVOSBBMWFYJEPC-UHFFFAOYSA-N,5,1,0.39,85,487,438.879,3.678,5,0.413,0.65,1.0,0.39478102940168597,0.5283907888424371,0.2929545610307724,0.4336234665204578,0.4124374614488383
EOS-5-01796,Cc1ccnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)cc2F)n1,DGDXSCKLCSZDCD-UHFFFAOYSA-N,5,1,0.439,68,233,431.353,2.874,4,0.499,0.81,1.0,0.42826913851004045,0.48245493797546435,0.8041172640668905,0.6784576108560071,0.5983247378521006
EOS-5-01797,COc1ccc(-c2nnc3cncc(Oc4ncncc4F)n23)cc1-c1cnn(C)c1,IDEWLMNXFHLNKP-UHFFFAOYSA-N,5,1,0.471,16,412,418.392,2.922,5,0.429,0.7,1.0,0.567490233705709,0.5099890343362347,0.5033925022274005,0.3378795147693784,0.47968782125968057
EOS-5-01798,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)cc1F,BAXGYXNOIWISKT-UHFFFAOYSA-N,5,1,0.586,90,385,414.347,2.324,4,0.485,0.71,1.0,0.765317661572202,0.4253306832979234,0.6864676855595915,0.6320762798985676,0.6272980775820711
EOS-5-01799,Fc1cnc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)nc2)nc1,INOFAPQROXJRTI-UHFFFAOYSA-N,5,1,0.361,73,920,418.367,2.896,5,0.402,0.76,1.0,0.5434857103694058,0.5610050716194914,0.5070762798985676,0.48330306353231445,0.5237175313549448
EOS-5-01800,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccc(C)nn1,GIGRDPOZZKYBFX-UHFFFAOYSA-N,5,1,0.534,72,925,439.479,3.582,5,0.379,0.68,1.0,0.4874494551435817,0.2696696593790693,0.4005551367281201,0.2613083407580015,0.35474564800219316
EOS-5-01801,OCCc1noc(-c2cc(-c3nnc4cncc(OCc5ncncc5F)n34)ccn2)n1,FBPTWPMQXPHZDJ-UHFFFAOYSA-N,5,1,0.443,7,99,435.379,1.279,5,0.394,0.68,0.995,0.472688643684463,0.33001507778767736,0.05194126516345693,0.05780104173805771,0.22811150709341377
EOS-5-01802,COc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1-n1cncn1,IOIDAMHNAIFFAI-UHFFFAOYSA-N,5,1,0.505,35,161,432.419,2.536,5,0.386,0.78,1.0,0.48745802206839833,0.3210540744294428,0.48267767802069766,0.36032485778904805,0.4128786580768967
EOS-5-01803,COc1cc(-c2nnc3cncc(OCCc4ccncc4)n23)ccc1-c1cnsc1,NCQQAIDXPAHAGS-UHFFFAOYSA-N,5,1,0.613,35,103,430.493,3.94,5,0.386,0.61,1.0,0.48258344184771435,0.35441367966554727,0.5411212391200055,0.41133232814748816,0.4473626721951888
EOS-5-01805,Fc1cccnc1CCOc1cncc2nnc(-c3ccc(-c4csnn4)nc3)n12,YCCNMIINXMTNDC-UHFFFAOYSA-N,5,1,0.505,87,699,420.433,2.86,5,0.413,0.71,1.0,0.485093550818998,0.595007196216846,0.20296758275649374,0.2345881022548146,0.37941410801178804
EOS-5-01806,COc1cc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1ncsn1,OVYLDZNODJESBY-UHFFFAOYSA-N,5,1,0.438,68,233,435.391,2.497,4,0.513,0.69,1.0,0.44178774587074227,0.40684325954355427,0.5935336851483791,0.39247652662600235,0.4586603042971695
EOS-5-01807,Fc1cc(Cl)ccc1-c1nnc2cncc(OCCc3ccc(Cl)cn3)n12,QWIIOUWRODIQEB-UHFFFAOYSA-N,5,1,0.676,23,400,404.232,4.254,4,0.498,0.78,1.0,0.9664861901171955,0.9789082311013638,0.872395654855733,0.9259132341854568,0.9359258275649373
EOS-5-01808,Fc1cc(F)nc(COc2cncc3nnc(-c4cncc(-c5nncs5)c4)n23)c1,IHRRNQHJCZXEGQ-UHFFFAOYSA-N,5,1,0.472,2,875,424.396,2.957,5,0.397,0.75,1.0,0.4652953875676787,0.5013021725721335,0.4513313001165102,0.46190288534027824,0.4699579363991502
EOS-5-01809,CNC(=O)c1ccc(-c2cc(-c3nnc4cncc(OCc5ccnc(Cl)c5)n34)ncn2)cn1,FYOJOQGRIXUVSC-UHFFFAOYSA-N,5,1,0.365,46,238,473.884,2.63,5,0.369,0.7,1.0,0.5025615105201837,0.3737749297512165,0.25613391816873415,0.19655095606880954,0.33225532862723595
EOS-5-01810,C#CCn1nc(C)nc1-c1cccc(-c2nnc3cncc(OCc4ccccc4F)n23)c1,YMDPIWVWQBBQLY-UHFFFAOYSA-N,5,1,0.489,43,521,439.454,3.71,5,0.375,0.76,1.0,0.4258018641628401,0.4208244808443561,0.43303234870810775,0.4491638681378932,0.43220564046329935
EOS-5-01811,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cccc(F)c4F)n23)ncn1,AGPCIMBZLNPFSV-UHFFFAOYSA-N,5,1,0.413,46,488,420.383,2.839,5,0.431,0.59,0.682,0.5730673017613598,0.392459392776369,0.6507607429237201,0.6147025563703653,0.5577474984579536
EOS-5-01812,COc1ccc(-c2nnc3cncc(OCCc4ccnnc4)n23)cc1-c1nccs1,RUTIENYWYSGVBI-UHFFFAOYSA-N,5,1,0.553,15,777,431.481,3.335,5,0.387,0.65,1.0,0.4726972106092797,0.3497361387156466,0.2821688026865876,0.18851518059077513,0.3232793331505723
EOS-5-01813,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1nccs1,LENFIQSKGOWCFJ-UHFFFAOYSA-N,5,1,0.333,14,920,433.472,3.985,5,0.374,0.65,0.958,0.40976458090603796,0.5013107394969502,0.227614625454047,0.2171544102528956,0.3389610890274827
EOS-5-01814,Fc1ncc(Cl)nc1CCOc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12,WDPFOBKGVLPVAT-UHFFFAOYSA-N,5,1,0.462,58,28,489.323,4.167,5,0.328,0.51,0.967,0.7416472483037488,0.7986258652594065,0.3001764786512234,0.43667329175519154,0.5692807209923926
EOS-5-01815,CCn1nncc1-c1ccc(-c2nnc3cncc(OCCc4cccnc4F)n23)c(F)n1,XAZTZRJTINELCL-UHFFFAOYSA-N,5,1,0.484,58,271,449.425,2.759,5,0.349,0.63,1.0,0.4097731478308546,0.4344972928517579,0.19596840518127612,0.21999862929202935,0.3150593687889795
EOS-5-01816,Fc1cc(F)nc(COc2cncc3nnc(-c4cncc(-c5ccccn5)c4)n23)c1,HEAGHYMLRMGXBS-UHFFFAOYSA-N,5,1,0.529,2,422,417.379,3.501,5,0.404,0.69,1.0,0.5487543691316565,0.5855236104447947,0.7049893770132273,0.6930899184428757,0.6330893187581386
EOS-5-01817,COc1cc(-c2nnc3cncc(OCCc4cnccn4)n23)ccc1-c1cscn1,HRINKFJLRCMNIR-UHFFFAOYSA-N,5,1,0.523,15,846,431.481,3.335,5,0.387,0.67,1.0,0.47270577753409637,0.3544222465903639,0.2632701665410184,0.17738674525392364,0.3169462339798506
EOS-5-01818,Cn1cncc1-c1cc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)ccn1,GZKCHFZHDFPXOZ-UHFFFAOYSA-N,5,1,0.536,75,359,416.42,2.742,5,0.393,0.63,1.0,0.6385357412103352,0.46512404907134536,0.44414365019532587,0.37353505585634983,0.48033462408333905
EOS-5-01819,Clc1ccc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)nc1,IQXZBTSXLSDECL-UHFFFAOYSA-N,5,1,0.554,2,422,421.873,3.937,5,0.424,0.73,1.0,0.462733877047495,0.5749348913713933,0.42581043108765676,0.4648841751764787,0.48209084367075594
EOS-5-01820,Clc1ccc(-c2nnc3cncc(OCCc4cccc(-n5cncn5)n4)n23)cn1,FKNFZKIFLYPPLE-UHFFFAOYSA-N,5,1,0.495,87,954,419.836,2.437,5,0.386,0.63,0.701,0.487466588993215,0.6043537111918306,0.1959769721060928,0.2345966691796313,0.3805984853676924
EOS-5-01821,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CCc3ccc(Cl)nn3)n12,YQTPSUCQCQIMRG-UHFFFAOYSA-N,5,1,0.35,72,487,438.879,3.678,5,0.413,0.7,1.0,0.38593139606606813,0.5283993557672538,0.2893307518333219,0.43030806661640736,0.4084923925707628
EOS-5-01822,COc1cc(-c2nnc3cncc(OCC4CCCCO4)n23)ccc1-c1cscn1,IMELCGAAFPIIGP-UHFFFAOYSA-N,5,1,0.462,5,548,423.498,3.871,5,0.465,0.64,1.0,0.5487629360564732,0.330023644712494,0.07833596052361044,0.14322184908505242,0.2750860975944075
EOS-5-01823,N#Cc1ccc(CNCc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)nc1,MFGLNKZXBOCJLR-UHFFFAOYSA-N,5,1,0.37,60,260,455.432,3.083,5,0.415,0.8,1.0,0.42581043108765676,0.39246795970118564,0.6534421903913371,0.6495356726749366,0.5303140634637791
EOS-5-01824,COc1cc(-c2nnc3cncc(CNC(=O)C4CC(F)C4)n23)ccc1-c1cscn1,SLHDOXYWODFEJS-UHFFFAOYSA-N,5,1,0.408,5,966,438.488,3.288,5,0.497,0.79,1.0,0.44657665684325953,0.3544308135151806,0.24207559454458227,0.25220169967788364,0.32382119114522645
EOS-5-01825,Cc1ccnc(OCc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)c1,JWPJJEUJKJEFKX-UHFFFAOYSA-N,5,1,0.369,14,487,419.445,3.731,5,0.429,0.69,1.0,0.5025700774450004,0.57494345829621,0.45133986704132684,0.4016088684805702,0.48261556781577686
EOS-5-01827,COc1cc(-c2nnc3cncc(CN(C)Cc4ccc(F)c(F)c4)n23)ccc1-c1cncs1,IKZAEKOQKKFIDK-UHFFFAOYSA-N,5,1,0.447,14,257,478.528,4.834,5,0.334,0.74,1.0,0.482592008772531,0.5284079226920705,0.80039065177164,0.7176684257418957,0.6322647522445343
EOS-5-01829,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ccncc3)n12,HRUVKALEDIAHQA-UHFFFAOYSA-N,5,1,0.549,58,271,420.433,2.86,5,0.386,0.68,1.0,0.4851021177438147,0.5655455417723254,0.2529641559865671,0.2642896305942019,0.3919753615242273
EOS-5-01830,COc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1nccs1,WFRYABVJPZOIFA-UHFFFAOYSA-N,5,1,0.605,35,777,430.493,3.94,5,0.386,0.71,1.0,0.470007196216846,0.3497447056404633,0.3820505791241176,0.267407991227469,0.367302618052224
EOS-5-01831,Cc1cccc(COc2cncc3nnc(-c4cc(C#N)cc(-c5nncs5)c4)n23)n1,MOKYNZQDRNYLOO-UHFFFAOYSA-N,5,1,0.472,4,506,426.465,3.464,5,0.42,0.65,1.0,0.4581762730450278,0.44769035706942634,0.42201528339387295,0.3603334247138647,0.42205383455554796
EOS-5-01832,Fc1cc(-c2csnn2)cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)c1,ADFUFHVSVOBRDN-UHFFFAOYSA-N,5,1,0.571,4,712,439.863,4.076,5,0.381,0.7,1.0,0.3904204646700021,0.4967531354944829,0.6421595504077856,0.7037643067644438,0.5582743643341785
EOS-5-01834,COc1cc(-c2nnc3cncc(CCc4cc(Cl)no4)n23)ccc1-c1cnsc1,LYVYGKUZPFZXTH-UHFFFAOYSA-N,5,1,0.419,14,257,438.9,4.35,5,0.389,0.46,1.0,0.4141594133369886,0.4298197519018573,0.40056370365293675,0.4044873552189706,0.4122575560276883
EOS-5-01835,COc1cc(-c2nnc3cncc(CNCc4ccc(F)cc4F)n23)ccc1-c1cncs1,HLKSDDMOJBIVIL-UHFFFAOYSA-N,5,1,0.398,14,257,464.501,4.491,5,0.382,0.8,1.0,0.41416798026180524,0.44304708381879243,0.8290041806593106,0.7673394558289356,0.613389675142211
EOS-5-01836,Cc1ncc(F)c(COc2cncc3nnc(-c4ccnc(-c5cnccn5)c4)n23)n1,AKYOZLGQARBRJT-UHFFFAOYSA-N,5,1,0.472,7,99,415.392,2.46,5,0.427,0.61,1.0,0.6241433075183332,0.5328969912960044,0.21015523267767802,0.1746881639366733,0.38547092385717224
EOS-5-01837,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4O)n23)cc1,OIPKUOJJEDSZHO-UHFFFAOYSA-N,5,1,0.329,0,938,434.431,2.412,4,0.444,0.76,1.0,0.42118429168665616,0.4345058597765746,0.35928825988623125,0.19117092728394217,0.351537334658351
EOS-5-01838,COc1cc(-c2nnc3cncc(CNC(=O)C4CC(F)(F)C4)n23)ccc1-c1cnsn1,JBVZYTWJFYXNKQ-UHFFFAOYSA-N,5,1,0.396,5,966,457.466,2.98,5,0.474,0.65,1.0,0.4211928586114728,0.38797032417243504,0.3367829483928449,0.34752587211294633,0.3733680008224248
EOS-5-01839,CN(Cc1ccc(Cl)cc1)Cc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12,FYSNMAPSLBHJHD-UHFFFAOYSA-N,5,1,0.443,14,358,465.945,4.734,5,0.361,0.78,1.0,0.3947895963265026,0.5013193064217668,0.6241004728942499,0.6930984853676924,0.5533269652525529
EOS-5-01840,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)ncn1,SUKHRNOHYNVOMO-UHFFFAOYSA-N,5,1,0.537,24,486,422.861,3.332,5,0.397,0.67,1.0,0.4441093824960592,0.5561304913988074,0.25297272291138373,0.27291652388458637,0.3815322801727091
EOS-5-01841,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4nc(F)ncc4F)n23)ccn1,VNEBGFDUSVFGAZ-UHFFFAOYSA-N,5,1,0.462,7,624,421.371,2.234,5,0.398,0.61,1.0,0.5201751079432527,0.4208330477691728,0.35186073607018026,0.3031406346377904,0.39900238160509904
EOS-5-01842,Cc1nc(-c2ccc(-c3nnc4cncc(CCC(=O)c5ccc(F)c(F)n5)n34)cc2)cs1,OFXQRAGHILIQGR-UHFFFAOYSA-N,5,1,0.433,14,886,462.485,4.712,5,0.268,0.64,1.0,0.38826159961620177,0.49676170241929957,0.3706308683434994,0.39542354876293606,0.4127694297854842
EOS-5-01843,Fc1cc(OCc2cncc3nnc(-c4ccc(F)c(-c5cnsn5)n4)n23)ccn1,KBSIGPDAHFCXLJ-UHFFFAOYSA-N,5,1,0.337,46,920,424.396,2.957,5,0.397,0.52,1.0,0.4536358028921938,0.482463504900281,0.3667243506270989,0.41451065725447195,0.4293335789185114
EOS-5-01844,CCNc1cc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c(F)cn1,HETDORKPESFUSP-UHFFFAOYSA-N,5,1,0.406,2,422,448.487,3.855,5,0.4,0.68,1.0,0.4653039544924954,0.2443286957713659,0.3295096292234939,0.22904530189843053,0.31704689534644637
EOS-5-01845,COc1cc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1cnsc1,YSZRPQKLODCTAJ-UHFFFAOYSA-N,5,1,0.438,68,233,434.403,3.102,4,0.519,0.63,1.0,0.4282777054348571,0.39729113837296964,0.8041258309917072,0.6205451990953328,0.5625599684737167
EOS-5-01847,COc1cc(-c2nnc3cncc(CNCc4ncccc4F)n23)ccc1-c1cscn1,ZQZDRBVWUXCFHG-UHFFFAOYSA-N,5,1,0.363,60,257,447.499,3.747,5,0.406,0.7,1.0,0.4234373929134398,0.35443938043999723,0.4367932287026249,0.3637687615653485,0.3946096909053526
EOS-5-01848,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(CN5CCCC5)c4)n23)nc1,OGELXFINIHCNLS-UHFFFAOYSA-N,5,1,0.533,90,636,469.376,4.71,5,0.391,0.76,1.0,0.42344595983825645,0.43881502295935854,0.08534370502364472,0.40161743540538686,0.33730553080666165
EOS-5-01849,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4ccc(F)c(C#N)n4)n23)ccn1,NWKWZKBAGNVNMW-UHFFFAOYSA-N,5,1,0.506,4,486,427.403,2.572,5,0.42,0.64,1.0,0.43723014186827497,0.44769892399424305,0.4618086491672949,0.37986601329586733,0.43165093208142
EOS-5-01850,Cc1cnnc(-c2cc(-c3nnc4cncc(Oc5ccc(F)c(C)n5)n34)ccn2)n1,ITMPWKCHKUYYJF-UHFFFAOYSA-N,5,1,0.396,75,43,415.392,2.982,5,0.436,0.67,1.0,0.6046021520115139,0.5375916660955383,0.2029761496813104,0.1637482009457885,0.37722954218353777
EOS-5-01851,O=C(NC1CC1)c1ccc(-c2nnc3cncc(OCCc4ccncc4F)n23)cc1F,GSFXTSMRUPDYAH-UHFFFAOYSA-N,5,1,0.557,63,306,436.422,2.978,5,0.479,0.86,1.0,0.49250394078541565,0.2037214721403605,0.4330409156329244,0.4954766636967994,0.406185748063875
EOS-5-01852,COc1cc(-c2nnc3cncc(COc4cc(C#N)ccn4)n23)ccc1-c1cscn1,UMDWYPRGKDDLCX-UHFFFAOYSA-N,5,1,0.352,14,257,441.476,3.769,5,0.391,0.73,1.0,0.4258189980124734,0.34975327256528,0.596763415804263,0.4461568775272428,0.4546231409773148
EOS-5-01853,COc1cc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ncc1-c1cscn1,VQOFYMUTZGRWHR-UHFFFAOYSA-N,5,1,0.363,68,585,435.391,2.497,4,0.513,0.73,0.997,0.4212014255362895,0.38797889109725175,0.5746264820779933,0.3766791172640669,0.44012147899390036
EOS-5-01854,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccncc5)nn4)n23)ccc1Cl,KPWNLMFWPFWCDJ-UHFFFAOYSA-N,5,1,0.382,60,41,458.913,3.595,5,0.394,0.72,1.0,0.4141765471866219,0.38328421629771775,0.46181721609211157,0.43668185868000825,0.42398995956411484
EOS-5-01855,COCC1CC1CCc1cncc2nnc(-c3ccc(-c4cnc(OC)cn4)c(F)c3)n12,SJUSBUUTQAMLKG-UHFFFAOYSA-N,5,1,0.394,78,75,434.475,3.611,5,0.419,0.49,1.0,0.39252792817490234,0.48247207182509766,0.4652696867932287,0.480141868274964,0.4551028887670482
EOS-5-01856,N#Cc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)n1,YFQVWVPSDHSMIY-UHFFFAOYSA-N,5,1,0.483,7,420,415.348,2.221,5,0.419,0.62,1.0,0.6185576725378658,0.5099976012610513,0.33679151531766155,0.3187924062778425,0.44603479884860525
EOS-5-01857,COc1cc(-c2nnc3cncc(CNC(=O)C(Cl)Cl)n23)ccc1-c1cscn1,CAPYSOVCCFFBKP-UHFFFAOYSA-N,5,1,0.429,5,966,449.323,3.343,4,0.454,0.75,1.0,0.4234545267630731,0.33987560825166196,0.44765608937015966,0.39865327941881984,0.40240987595092864
EOS-5-01859,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)cc2F)n1,FAICLXDPRLATPK-UHFFFAOYSA-N,5,1,0.443,68,233,432.341,2.269,4,0.493,0.7,1.0,0.40521554382838737,0.45635151805907753,0.6864762524844082,0.5715509560688096,0.5298985676101707
EOS-5-01860,COc1cc(-c2nnc3cncc(CNC(=O)C4CC(F)(F)C4)n23)ccc1-c1cncs1,JZNZPXQMVXDEJY-UHFFFAOYSA-N,5,1,0.412,5,966,456.478,3.585,5,0.477,0.68,1.0,0.4097817147556713,0.37854670687410047,0.4690048660132959,0.452470701117127,0.42745099719004864
EOS-5-01861,COc1ccc(-c2nnc3cncc(OCCc4ncccn4)n23)cc1-c1ccc(CO)nn1,ZBGNRPVYPGRJDP-UHFFFAOYSA-N,5,1,0.468,15,771,456.466,2.161,5,0.37,0.67,0.999,0.4488811596189432,0.27473271194571997,0.16969364676855597,0.10080700431773011,0.2485286306627373
EOS-5-01862,COc1cc(-c2nnc3cncc(CNC(=O)CC(F)(F)F)n23)ccc1-c1cncs1,HPTVZPRFSFJMDG-UHFFFAOYSA-N,5,1,0.429,5,966,448.43,3.492,4,0.485,0.78,1.0,0.4011376876156535,0.402285655541087,0.7074823521348776,0.5187958330477692,0.5074253820848469
EOS-5-01863,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)ccc1F,PEJYXHQLBVRUCT-UHFFFAOYSA-N,5,1,0.517,7,420,415.348,2.221,5,0.419,0.68,1.0,0.6100849838941813,0.5192498800630526,0.34034678911657873,0.30654170379000756,0.44405583921595504
EOS-5-01864,COc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1ccsn1,BQJZLRMUQIWDAA-UHFFFAOYSA-N,5,1,0.605,35,777,430.493,3.94,5,0.386,0.7,1.0,0.45818483996984444,0.334949626482078,0.4368017956274416,0.3281132204783771,0.3895123706394352
EOS-5-01865,CCc1ccnc(-c2ccc(-c3nnc4cncc(CNC(=O)C5(O)CC5)n34)c(F)c2)n1,DNOGSSQLCJJWBD-UHFFFAOYSA-N,5,1,0.383,78,753,433.447,2.091,5,0.478,0.74,1.0,0.43955177849359195,0.34976183949009665,0.033608046055787814,0.08705708998697828,0.22749468850661367
EOS-5-01866,Clc1cncc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)n1,IHUMJAQQOXKKDP-UHFFFAOYSA-N,5,1,0.449,2,422,422.861,3.332,5,0.424,0.69,1.0,0.4372387087930916,0.5420550339250223,0.23846891919676513,0.2791446782263039,0.3742268350352957
EOS-5-01867,COc1cc(-c2nnc3cncc(CNC(=O)c4cnc(Cl)nc4)n23)ccc1-c1cscn1,RWQCXAOPIHNIAS-UHFFFAOYSA-N,5,1,0.48,14,257,478.925,3.297,5,0.369,0.8,1.0,0.489968131039682,0.47387087930916316,0.24916044136796656,0.18035090124049072,0.34833758823932565
EOS-5-01868,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(O)c1F,MVRLGKXKZQNTJR-UHFFFAOYSA-N,5,1,0.34,0,862,464.432,2.694,5,0.418,0.68,0.988,0.41418511411143855,0.39247652662600235,0.40409327667740386,0.38593139606606813,0.39917157837022826
EOS-5-01869,Clc1cnnc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1,KJFJTCRVINJWCT-UHFFFAOYSA-N,5,1,0.524,24,199,422.861,3.332,5,0.424,0.68,1.0,0.4441179494208759,0.5238845863888698,0.28217736961140427,0.3315485573298609,0.3954321156877527
EOS-5-01870,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc5cc(F)cc(F)c5n4)n23)c(F)c1F,KYKXETULAWYRIY-UHFFFAOYSA-N,5,1,0.309,45,26,452.371,3.923,5,0.42,0.69,1.0,0.3859399629908848,0.4388235898841752,0.9047614968131039,0.9006236721266534,0.6575371804537044
EOS-5-01871,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4(F)F)n23)ccc1-c1cscn1,CDCPSGSQFXSJFO-UHFFFAOYSA-N,5,1,0.416,5,966,442.451,3.195,5,0.493,0.58,1.0,0.407597148927421,0.38329278322253446,0.5902868206428621,0.5055256665067507,0.471675604824892
EOS-5-01872,COc1cc(-c2nnc3cncc(CNC(=O)COC(F)F)n23)ccc1-c1cscn1,RUQJRUPKCRYPBN-UHFFFAOYSA-N,5,1,0.417,5,966,446.439,2.779,4,0.444,0.68,1.0,0.42828627235967376,0.31591391953944215,0.4863700226166815,0.33788808169419504,0.39211457405249805
EOS-5-01873,Fc1cc(F)nc(COc2cncc3nnc(-c4cncc(-c5ccsn5)c4)n23)c1,JJBZJSRMTHSBAY-UHFFFAOYSA-N,5,1,0.506,2,422,423.408,3.562,5,0.399,0.65,1.0,0.4465852237680762,0.4916815160030156,0.6211448838324994,0.6175382084846823,0.5442374580220684
EOS-5-01874,COc1cnc(-c2ccc(-c3nnc4cncc(CNCC(F)F)n34)cc2F)nc1,OPQMLHAWWFUXIO-UHFFFAOYSA-N,5,1,0.398,68,75,415.379,2.751,4,0.496,0.78,1.0,0.5902011513946953,0.542063600849839,0.702445000342677,0.6052532382975807,0.609990747721198
EOS-5-01875,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5csnn5)nc4F)n23)n1,PMMKPBWWJJGZMK-UHFFFAOYSA-N,5,1,0.477,4,554,424.396,2.957,5,0.397,0.62,1.0,0.4305051058871907,0.5058512096497841,0.3632461791515318,0.392485093550819,0.42302189705983145
EOS-5-01876,COc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4F)n23)c(F)n1,IPEFAXAWKYHQOL-UHFFFAOYSA-N,5,1,0.436,57,504,476.418,4.532,5,0.375,0.83,1.0,0.4258275649372901,0.537600233020355,0.8565040093208142,0.7908385306010555,0.6526925844698787
EOS-5-01877,N#Cc1nc(COc2cncc3nnc(-c4cccc(-c5ncon5)c4)n23)ccc1F,KFRZLMWXWJZHLQ-UHFFFAOYSA-N,5,1,0.536,4,702,414.36,2.826,5,0.426,0.71,1.0,0.6269960934822836,0.5420721677746556,0.5177506682201357,0.46191145226509495,0.5371825954355425
EOS-5-01878,COc1cc(-c2nnc3cncc(CNCc4ncc(F)cn4)n23)ccc1-c1cscn1,SLSOLVRQVLCOQK-UHFFFAOYSA-N,5,1,0.346,60,41,448.487,3.142,5,0.405,0.61,1.0,0.4258361318621068,0.3055393735864574,0.2455023644712494,0.19117949420875882,0.29201434103214313
EOS-5-01879,c1ccc(-c2ncccc2COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)nc1,QPAHUHOERCXOAS-UHFFFAOYSA-N,5,1,0.422,28,297,464.514,4.346,6,0.358,0.66,1.0,0.4282948392844904,0.3398841751764787,0.2965269686793229,0.27611198684120347,0.3352044924953738
EOS-5-01880,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3ncccn3)n12,UINQBDCAOAMBTM-UHFFFAOYSA-N,5,1,0.455,58,24,421.421,2.255,5,0.381,0.58,1.0,0.4581934068946611,0.5192584469878693,0.06537420327599205,0.0835103831128778,0.28158411006785006
EOS-5-01881,O=C(NCc1cncc2nnc(-c3ccc(-c4ncc(F)cn4)nc3F)n12)C(F)(F)F,HGFANFVGDUOUQW-UHFFFAOYSA-N,5,1,0.408,68,585,436.304,2.1,4,0.385,0.67,1.0,0.3882701665410184,0.4519566856281269,0.7074909190596943,0.6205537660201494,0.5420678843122473
EOS-5-01882,Clc1cccc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)n1,LHZHOLKJLSTWIN-UHFFFAOYSA-N,5,1,0.512,2,422,421.873,3.937,5,0.397,0.76,1.0,0.4465937906928929,0.5329055582208211,0.3930676444383524,0.43031663354122407,0.4507209067233226
EOS-5-01883,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNC(=O)c4cnc(Cl)cn4)n23)cc1F,WXOUDIWGVNDTOR-UHFFFAOYSA-N,5,1,0.45,85,353,463.864,2.704,5,0.426,0.76,1.0,0.3989616887122199,0.42084161469398945,0.24208416146939896,0.26429819751901856,0.3315464155986567
EOS-5-01884,Fc1ccc(CCCOc2cncc3nnc(-c4ccc(-c5csnn5)nc4Cl)n23)nc1F,DAONNWLTFXTLRZ-UHFFFAOYSA-N,5,1,0.436,58,24,486.895,4.043,5,0.251,0.52,0.994,0.5756716469056268,0.7564337605373175,0.3592968268110479,0.46489274210129533,0.5390737440888218
EOS-5-01885,COc1cc(-c2nnc3cncc(CN(C)Cc4ccc(F)c(F)c4)n23)ccc1-c1nncs1,VPUUBEVNLFBDQJ-UHFFFAOYSA-N,5,1,0.433,14,257,479.516,4.229,5,0.346,0.73,1.0,0.4604208073469947,0.5469296141457063,0.6478479884860531,0.5684240285107258,0.55590560962237
EOS-5-01886,O=C(c1ccc(-c2nnc3cncc(CNCc4cccc(F)c4)n23)cc1)C(Cl)(Cl)Cl,VAWZTNSFHCTDJC-UHFFFAOYSA-N,5,1,0.473,48,225,478.742,4.773,4,0.319,0.83,1.0,0.4417963127955589,0.5610136385443081,0.9658008361318621,0.9685765197724625,0.7342968268110479
EOS-5-01887,Fc1cc(F)nc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c1,JRWMMYIJLPFBOS-UHFFFAOYSA-N,5,1,0.478,2,875,418.367,2.896,5,0.402,0.67,1.0,0.502578644369817,0.5329141251456377,0.6121667466246317,0.5991364539784799,0.5616989925296416
EOS-5-01888,Fc1ccnc(COc2cncc3nnc(-c4ccnc(-c5csnn5)c4)n23)c1F,HALAQTSDMUHGAS-UHFFFAOYSA-N,5,1,0.494,24,486,424.396,2.957,5,0.424,0.57,1.0,0.4418048797203756,0.465132615996162,0.4618257830169282,0.4801504351997807,0.46222842848331164
EOS-5-01889,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(Cl)nn4)n23)ccc1-c1ncsn1,HUUAYFYHDUGIFG-UHFFFAOYSA-N,5,1,0.441,85,172,479.913,2.692,5,0.39,0.71,1.0,0.505054485641834,0.4477074909190597,0.08274792680419436,0.06892091015009252,0.27610770337879514
EOS-5-01890,COc1cc(-c2nnc3cncc(CNC(=O)CC(F)(F)F)n23)ccc1-c1ccsn1,BQIDMSWPWLTOPJ-UHFFFAOYSA-N,5,1,0.416,5,966,448.43,3.492,4,0.485,0.72,1.0,0.39479816325131933,0.3833013501473511,0.6811904598725241,0.49850078815708315,0.4894476903570694
EOS-5-01891,Cn1nc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)cc1-c1nccs1,WIIXNUYQIDUQMW-UHFFFAOYSA-N,5,1,0.438,95,445,443.414,3.645,5,0.386,0.67,0.998,0.40324515112055376,0.3640343362346652,0.6534507573161538,0.6638253032691385,0.5211388869851278
EOS-5-01892,Cc1c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc(Cl)c1Cl,AEAQTOPAXVTEEM-UHFFFAOYSA-N,5,1,0.35,0,188,456.308,5.105,5,0.464,0.87,1.0,0.3605732986087314,0.4967702693441162,0.7761976560893702,0.889777945308752,0.6308297923377424
EOS-5-01893,Clc1ccc(-c2cncc(-c3nnc4cncc(OCc5ccccn5)n34)c2)nc1,FAUBFXAXUDYCIO-UHFFFAOYSA-N,5,1,0.617,2,422,415.844,3.876,5,0.43,0.69,1.0,0.5255808375025701,0.6325988623123844,0.5839986978274279,0.6116098965115482,0.5884470735384826
EOS-5-01894,Fc1cc(CCOc2cncc3nnc(-c4cncc(-c5csnn5)c4)n23)ccn1,JJHFOOFTQZHTPK-UHFFFAOYSA-N,5,1,0.489,87,142,420.433,2.86,5,0.386,0.63,1.0,0.47001576314166266,0.510006168185868,0.3706394352683161,0.36704989377013225,0.42942781509149475
EOS-5-01896,COc1cc(-c2nnc3cncc(Cc4ccc(C(C)(F)F)nn4)n23)ccc1-c1ccsn1,FEYKNYNVHQMNRG-UHFFFAOYSA-N,5,1,0.371,14,476,465.489,4.416,5,0.367,0.59,1.0,0.4032537180453704,0.4068518264683709,0.7283513809882805,0.5254180659310533,0.5159687478582687
EOS-5-01897,COc1cc(-c2nnc3cncc(CNC(=O)c4ccnc(F)c4)n23)ccc1-c1cncs1,ZLRRBVZBLNVMLQ-UHFFFAOYSA-N,5,1,0.531,14,257,461.482,3.388,5,0.386,0.81,1.0,0.392536495099719,0.41642108148858886,0.42916866561579053,0.2969467479953396,0.3837682475498595
EOS-5-01898,Clc1ccc(-c2nnc3cncc(OCCc4cccc(-n5nccn5)n4)n23)cn1,RSXFUSCKIJNPKL-UHFFFAOYSA-N,5,1,0.495,87,779,419.836,2.437,5,0.386,0.62,0.996,0.44660235761770956,0.6043622781166472,0.13566582139675143,0.17739531217874033,0.34100644232746213
EOS-5-01899,COc1cc(-c2nnc3cncc(CNCc4nccc(F)c4F)n23)ccc1-c1nccs1,NMBNTUPGERJUKA-UHFFFAOYSA-N,5,1,0.356,14,257,465.489,3.886,5,0.39,0.76,1.0,0.409790281680488,0.3879874580220684,0.5479747789733397,0.47120656569117947,0.4542397710917689
EOS-5-01900,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)ccc1-c1cscn1,QTIHJWXRDKAZBN-UHFFFAOYSA-N,5,1,0.38,14,291,466.929,5.328,5,0.364,0.85,1.0,0.40979884860530463,0.3972997052977863,0.8358320197381948,0.7886967993968885,0.6079068432595436
EOS-5-01901,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(F)c4)n23)ccc1-c1cscn1,YQPVNTDUWAIJAM-UHFFFAOYSA-N,5,1,0.38,14,291,450.474,4.814,5,0.4,0.84,1.0,0.39897025563703653,0.3593824960592146,0.8358405866630114,0.7519532588582003,0.5865366493043658
EOS-5-01902,COCc1nnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)s1,JBUNWLNJSNZJDB-UHFFFAOYSA-N,5,1,0.5,58,578,480.941,3.521,5,0.308,0.72,1.0,0.4751730518812967,0.5561390583236242,0.1298660132958673,0.15593516551298744,0.32927832225344394
EOS-5-01903,O=C(Nc1cccc(F)c1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,LOFYICMJRMTDQU-UHFFFAOYSA-N,5,1,0.535,83,504,443.869,5.503,5,0.398,0.89,1.0,0.3222705777534096,0.6043708450414639,0.911700705914605,0.9207302446713728,0.6897680933452128
EOS-5-01904,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4nccnc4-c4ccccn4)n23)cc1,NTUVYUOBLCAUCX-UHFFFAOYSA-N,5,1,0.364,14,416,462.439,3.952,5,0.408,0.73,1.0,0.39042903159481873,0.4164296484134055,0.8324909190596943,0.751961825783017,0.5978278562127339
EOS-5-01905,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(F)c1,QSBIQZYOKRPYHG-UHFFFAOYSA-N,5,1,0.356,0,999,449.417,3.415,5,0.469,0.88,1.0,0.405224110753204,0.33989274210129533,0.5140754574737852,0.49237543691316565,0.43789193681036254
EOS-5-01907,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ncco1,XUNCZZCCPPZKFO-UHFFFAOYSA-N,5,1,0.333,14,920,417.404,3.517,5,0.387,0.55,0.958,0.510057569734768,0.5469381810705229,0.2561424850935508,0.2255928311973134,0.3846827667740388
EOS-5-01908,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N(C)C)c(F)c4)n23)c(F)c1F,LLHAWXJABBVCPM-UHFFFAOYSA-N,5,1,0.36,0,129,454.412,2.937,4,0.512,0.84,1.0,0.37201014323898296,0.43883215680899185,0.6478565554108697,0.4954852306216161,0.48854602152011517
EOS-5-01909,COc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)cn1,IGOQHWDCXGIARI-UHFFFAOYSA-N,5,1,0.484,62,504,456.893,4.768,5,0.409,0.91,1.0,0.3813052566650675,0.4208501816188061,0.707499485984511,0.6232009457884997,0.5332139675142211
EOS-5-01910,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cnc(C)s1,RLNQKJGKESSACT-UHFFFAOYSA-N,5,1,0.33,85,920,447.499,4.294,5,0.359,0.57,1.0,0.35838016585566446,0.4738794462339799,0.2632787334658351,0.2171629771777123,0.32817533068329796
EOS-5-01911,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(OC)c1,JVSGXDRQMLGWEL-UHFFFAOYSA-N,5,1,0.348,0,862,460.469,2.858,5,0.458,0.88,1.0,0.4052326776780207,0.3497704064149133,0.29653553560413953,0.2256013981221301,0.3192850044548009
EOS-5-01912,COc1cc(-c2nnc3cncc(CNCc4cccc(F)c4F)n23)ccc1-c1cnsc1,NTUWGKLSNRQJNU-UHFFFAOYSA-N,5,1,0.392,14,257,464.501,4.491,5,0.382,0.64,1.0,0.3989788225618532,0.39730827222260295,0.8536426564320472,0.7956188746487561,0.6113871564663149
EOS-5-01913,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4nc(C#N)ccc4F)n23)ccn1,UXBIEPCTRUBLKI-UHFFFAOYSA-N,5,1,0.473,4,486,427.403,2.572,5,0.42,0.59,1.0,0.4212099924611062,0.429828318826674,0.4584247138647111,0.39249366047563566,0.42548917140703174
EOS-5-01914,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1Cl,NWOCIJDIFRZPNV-UHFFFAOYSA-N,5,1,0.378,0,999,432.846,4.015,5,0.525,0.87,1.0,0.3904375985196354,0.4430556507436091,0.7786135288876704,0.8652679734082653,0.6193436878897951
EOS-5-01915,Cn1ncnc1-c1cncc(-c2nnc3cncc(OCc4cc(F)ccc4F)n23)c1,YMLJDVVVZPTVFL-UHFFFAOYSA-N,5,1,0.494,2,422,420.383,2.839,5,0.431,0.71,1.0,0.5050630525666506,0.4164382153382222,0.6121753135494483,0.6084315674045645,0.5355270372147214
EOS-5-01916,Clc1cc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)ncn1,XEAMNUUZMPRQQF-UHFFFAOYSA-N,5,1,0.477,2,422,422.861,3.332,5,0.397,0.68,1.0,0.42121855938592284,0.5376087999451716,0.28933931875813856,0.3158625179905421,0.3910072990199438
EOS-5-01917,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4F)n23)COC1,NWPVLBTVVGGURL-UHFFFAOYSA-N,5,1,0.388,78,753,454.487,2.394,5,0.477,0.74,1.0,0.39254506202453565,0.3690973888013159,0.129874580220684,0.1587451168528545,0.26256553697484747
EOS-5-01918,CCn1ccnc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ncn1,HSWKOTDJZVQTOW-UHFFFAOYSA-N,5,1,0.379,44,971,420.383,3.535,5,0.429,0.63,1.0,0.5050716194914674,0.4164467822630389,0.4513484339661435,0.4588016585566445,0.45791712356932357
EOS-5-01920,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5nncc(C)n5)cc4F)n23)CC1,LTTJZSYHXTYIMN-UHFFFAOYSA-N,5,1,0.394,78,753,434.435,1.886,5,0.488,0.74,0.999,0.4165153176615722,0.3450243300664793,0.01966965937906929,0.06539133712562538,0.21165016105818654
EOS-5-01921,O=C(NCc1cncc2nnc(-c3ccc(Cl)cc3)n12)c1ccc(-c2cncnc2)nn1,SLYDENAZQLLHTF-UHFFFAOYSA-N,5,1,0.495,14,81,443.858,2.622,5,0.439,0.77,1.0,0.35117538208484683,0.4967788362689329,0.20298471660612707,0.2582756493729011,0.32730364608320195
EOS-5-01922,COc1ncccc1CNCc1cncc2nnc(-c3ccc(-c4nccs4)c(F)c3)n12,VURZTKGVUWZRRA-UHFFFAOYSA-N,5,1,0.347,14,257,447.499,3.747,5,0.406,0.76,1.0,0.3967942567336029,0.35444794736481394,0.36673291755191556,0.28506442327462134,0.35075988623123844
EOS-5-01923,Cn1cnnc1-c1cncc(-c2nnc3cncc(OCc4cc(F)c5cccnc5n4)n23)c1,OQDZEZQJGSZOTM-UHFFFAOYSA-N,5,1,0.457,2,422,454.429,2.643,6,0.387,0.6,1.0,0.3697827427866493,0.4345144267013913,0.2276231923788637,0.24620485230621617,0.3195313035432801
EOS-5-01924,CC#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc1Cl,GDCNJZHUKHMIHM-UHFFFAOYSA-N,5,1,0.337,0,188,445.885,4.514,5,0.469,0.84,1.0,0.3511839490096635,0.47846275101089714,0.7717171544102529,0.8370742238366116,0.6096095195668563
EOS-5-01925,COc1cc(-c2nnc3cncc(CN(C)c4ccc(F)cc4)n23)ccc1-c1cscn1,LDGFWSSSXQRFLD-UHFFFAOYSA-N,5,1,0.423,14,257,446.511,4.699,5,0.377,0.76,1.0,0.39255362894935236,0.35939106298403123,0.664639161126722,0.5086525940648345,0.48130911178123503
EOS-5-01926,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)cc1,AKURYHGNDTUANZ-UHFFFAOYSA-N,5,1,0.347,0,938,436.422,2.846,4,0.501,0.86,1.0,0.40114625454047015,0.36910595572613253,0.5548711534507573,0.3954321156877527,0.4301388698512782
EOS-5-01927,COc1cc(-c2nnc3cncc(CNCc4ccc(F)cc4F)n23)ccc1-c1cnsc1,PUPNOBUEKUKLFK-UHFFFAOYSA-N,5,1,0.398,14,257,464.501,4.491,5,0.382,0.73,1.0,0.3882787334658351,0.41645534918785554,0.8487252415872798,0.7978034404770064,0.6128156911794942
EOS-5-01928,O=C(Nc1cccc(F)c1)c1ccc(-c2cncc3nnc(-c4ccc(F)cc4F)n23)c(F)c1,MQTQPRQPQQSGDI-UHFFFAOYSA-N,5,1,0.473,83,533,463.394,5.267,5,0.369,0.87,0.999,0.33745973545336166,0.5561476252484409,0.9705383455554794,0.9714550065108628,0.7089001781920361
EOS-5-01929,N#Cc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5nc[nH]n5)c4)n23)n1,JBGMFBLMPMXZIN-UHFFFAOYSA-N,5,1,0.457,7,486,414.364,1.956,5,0.456,0.55,1.0,0.5902097183195121,0.5610222054691248,0.3335532177369611,0.3097971352203413,0.4486455691864848
EOS-5-01930,CCOC(=O)C(=O)NCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(F)c3)n12,DUJDZKLSLUUQAW-UHFFFAOYSA-N,5,1,0.416,78,753,455.837,2.22,4,0.359,0.9,1.0,0.39680282365841957,0.345032896991296,0.08535227194846139,0.08706565691179494,0.22856341237749297
EOS-5-01931,NC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(Cl)nn4)n23)cc1,FQGMBMOYIBAZNB-UHFFFAOYSA-N,5,1,0.667,90,636,413.8,2.094,4,0.513,0.77,1.0,0.7082191076691111,0.39731683914741966,0.3222191762045096,0.31587108491535876,0.4359065519840998
EOS-5-01932,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cnccn3)n12,RIYCSOAJMARGEG-UHFFFAOYSA-N,5,1,0.462,20,658,421.421,2.255,5,0.381,0.54,1.0,0.44181344664519223,0.5058597765746008,0.09965046946747995,0.11882324720718251,0.2915367349736139
EOS-5-01933,N#Cc1nc(COc2cncc3nnc(-c4ccnc(-c5nc[nH]n5)c4)n23)ccc1F,VKXKTMZGENLYRS-UHFFFAOYSA-N,5,1,0.495,7,702,414.364,1.956,5,0.456,0.59,1.0,0.5812144472620109,0.570043177301076,0.33680008224247826,0.29695531492015625,0.44625325543143035
EOS-5-01935,Cc1nc(-c2ccc(-c3nnc4cncc(OCC5CCOCC5)n34)c(F)c2)cs1,XODHGZYEZISSJG-UHFFFAOYSA-N,5,1,0.517,78,548,425.489,4.168,5,0.478,0.8,1.0,0.4098074155301213,0.46956171612637926,0.10999931464601467,0.270166541018436,0.3148837468302378
EOS-5-01936,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)c4F)n23)nn1C,LHTQXOCWRMYKLQ-UHFFFAOYSA-N,5,1,0.448,95,998,438.854,3.297,5,0.418,0.64,1.0,0.392562195874169,0.36404290315948185,0.5208690288534028,0.5454903707765061,0.4557411246658899
EOS-5-01937,COc1ncc(-c2nnc3cncc(OCCc4cncnc4)n23)cc1-c1cccnn1,NZPAPAXBXCYJBI-UHFFFAOYSA-N,5,1,0.451,65,361,427.428,2.063,5,0.381,0.6,1.0,0.472714344458913,0.2592865465012679,0.13567438832156808,0.0870742238366116,0.23868737577959015
EOS-5-01938,COc1nc(F)ccc1-c1nnc2cncc(-c3ccc(C(=O)Nc4ccccc4F)cc3)n12,QXCXOYGZCJGFLN-UHFFFAOYSA-N,5,1,0.382,62,504,458.428,4.392,5,0.393,0.85,1.0,0.37444314988691657,0.4068603933931876,0.7308871907340141,0.6289322184908506,0.5352807381262422
EOS-5-01939,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)cc2F)cs1,PZPTVUFRZKRVMD-UHFFFAOYSA-N,5,1,0.457,66,233,436.394,3.541,4,0.495,0.86,1.0,0.3767562195874169,0.42085874854362276,0.8391559865670619,0.7337656774724145,0.592634158042629
EOS-5-01941,COc1cc(-c2nnc3cncc(CNCc4ccc(Cl)cn4)n23)ccc1-c1cncs1,LEADDPUCFXDKEZ-UHFFFAOYSA-N,5,1,0.366,60,41,463.954,4.262,5,0.385,0.76,1.0,0.409815982454938,0.3256116784319101,0.49982009457884996,0.45554622712631077,0.4226984956480022
EOS-5-01942,COc1cc(-c2nnc3cncc(COc4cc(C#N)ccn4)n23)ccc1-c1ncsn1,MTWLOEDFZACUIN-UHFFFAOYSA-N,5,1,0.356,14,172,442.464,3.164,5,0.39,0.67,1.0,0.3968113905832362,0.33003221163731067,0.40774278664930436,0.2877630045918717,0.35558734836543077
EOS-5-01943,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1nncs1,WIVROBRDQNSJLF-UHFFFAOYSA-N,5,1,0.327,85,920,434.46,3.38,5,0.375,0.51,0.934,0.3627921321362484,0.47388801315879653,0.1477537523130697,0.1532622849701871,0.2844240456445754
EOS-5-01945,Fc1cc(F)nc(COc2cncc3nnc(-c4cncc(-c5ncsn5)c4)n23)c1,WBYGYALGLKOYNN-UHFFFAOYSA-N,5,1,0.5,2,131,424.396,2.957,5,0.397,0.73,1.0,0.4141936810362552,0.4784713179357138,0.43304948255774106,0.44616544445205947,0.4429699814954424
EOS-5-01946,COC(C)(C)C(=O)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3F)n12,JJHBKLWGEGJAAV-UHFFFAOYSA-N,5,1,0.392,78,753,440.504,3.404,4,0.494,0.84,1.0,0.394806730176136,0.3450414639161127,0.2783736549928038,0.1432304160098691,0.29036306627373043
EOS-5-01947,Fc1nccc(CCCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,XSPMPKQJBPYTLO-UHFFFAOYSA-N,5,1,0.61,90,400,401.804,4.13,4,0.359,0.8,1.0,0.9857874717291482,0.990122335686382,0.8487338085120965,0.8910544171064355,0.9289245082585156
EOS-5-01948,COc1cc(-c2nnc3cncc(CNCc4cccc(C#N)c4F)n23)ccc1-c1ncsn1,KPZQPDOVTXTCDG-UHFFFAOYSA-N,5,1,0.359,60,172,472.509,3.619,5,0.382,0.62,1.0,0.4234630936878898,0.3785552737989171,0.6390411897745185,0.542500514015489,0.4958900178192036
EOS-5-01949,COc1cc(-c2nnc3cncc(CNCc4cccc(F)c4)n23)ccc1-c1nccs1,KLDWDFQPRJXFGN-UHFFFAOYSA-N,5,1,0.41,14,257,446.511,4.352,5,0.401,0.81,1.0,0.3744517168117333,0.38799602494688507,0.6182492632444657,0.5387225001713385,0.4798548762936057
EOS-5-01950,Cn1ccnc1-c1ccc(-c2nnc3cncc(CCc4nccc(Cl)n4)n23)cc1F,WKBRNWAGHJDMPZ-UHFFFAOYSA-N,5,1,0.371,85,353,434.866,3.56,5,0.393,0.7,1.0,0.36979130971146595,0.44771605784387636,0.3335617846617778,0.4272582413816736,0.39458184839969845
EOS-5-01951,COc1cc(-c2nnc3cncc(OCCc4nc(C#N)cnc4Cl)n23)ccc1-c1cnsc1,ZPDQUEJQHFSUQD-UHFFFAOYSA-N,5,1,0.464,15,103,490.936,3.86,5,0.334,0.48,1.0,0.7768059077513536,0.7603831128778014,0.3894267013912686,0.37668768418888354,0.5758258515523268
EOS-5-01952,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5nncc(C)n5)c(F)c4)n23)CC1,DVJZKYQGRIVLNG-UHFFFAOYSA-N,5,1,0.408,78,753,434.435,1.886,5,0.488,0.73,1.0,0.4119919813583716,0.3210626413542595,0.019678226303885958,0.06539990405044205,0.20453318826673977
EOS-5-01953,COc1ncc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)cc1F,DYWCHSVGLGAHHV-UHFFFAOYSA-N,5,1,0.474,62,504,474.883,4.907,5,0.389,0.85,1.0,0.4011548214652868,0.49169008292783223,0.7717257213350696,0.7150640805976287,0.5949086765814544
EOS-5-01954,CCN(Cc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12)c1cccc(F)c1,UIXGCGJEQPYVKK-UHFFFAOYSA-N,5,1,0.484,48,225,415.394,4.976,4,0.432,0.86,1.0,0.49251250771023236,0.6764186827496402,0.9844767322321979,0.9640874511685286,0.7793738434651497
EOS-5-01955,Fc1cc(F)nc(COc2cncc3nnc(-c4cc(-c5nccs5)ncn4)n23)c1,YBAGODGBABYPNO-UHFFFAOYSA-N,5,1,0.44,46,726,424.396,2.957,5,0.397,0.64,0.999,0.42584469878692344,0.4388407237338085,0.3368086491672949,0.35072133506956343,0.3880538516893976
EOS-5-01956,Fc1ccc(CNCc2cncc3nnc(-c4ccc(-c5ncsn5)c(F)c4)n23)c(F)c1,QBUNXLMEBDSWLS-UHFFFAOYSA-N,5,1,0.365,14,291,453.453,4.017,5,0.418,0.72,1.0,0.3605818655335481,0.4208673154684395,0.8104653553560414,0.8331591391953944,0.6062684188883558
EOS-5-01957,COc1cc(-c2nnc3cncc(CNC(=O)Cc4cccc(Cl)c4)n23)ccc1-c1cnco1,RNKBJPYCBPKQQW-UHFFFAOYSA-N,5,1,0.51,14,257,474.908,3.967,5,0.38,0.84,1.0,0.4395603454184086,0.37856384072373384,0.5034010691522172,0.4491724350627099,0.44267442258926737
EOS-5-01958,O=C(Nc1cccc(F)c1)c1ccc(-c2cncc3nnc(-c4ccc(CO)cc4F)n23)cc1,JJIBOTYUVMXGIC-UHFFFAOYSA-N,5,1,0.474,83,504,457.44,4.481,5,0.406,0.86,1.0,0.3674611061613323,0.40686896031800424,0.9200363237612227,0.8910629840312522,0.6463573435679528
EOS-5-01959,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5ncsn5)c4)n23)n1,NWVLVAIRYCUGTM-UHFFFAOYSA-N,5,1,0.542,75,420,422.861,3.332,5,0.397,0.66,1.0,0.41879411966280583,0.4916986498526489,0.22763175930368035,0.28202316496470425,0.35503692344595983
EOS-5-01960,COc1cc(-c2nnc3cncc(CNC4COC4)n23)ccc1-c1ncc(Cl)cn1,PNPNWUYAVPAZCI-UHFFFAOYSA-N,5,1,0.363,5,75,423.864,2.399,5,0.504,0.86,1.0,0.48012473442533066,0.3055479405112741,0.25991193201288465,0.2613169076828182,0.3267253786580769
EOS-5-01961,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1F,SMWKHKSWTOZYIA-UHFFFAOYSA-N,5,1,0.333,0,129,466.423,3.127,5,0.471,0.84,1.0,0.3720187101637996,0.43452299362620794,0.5777362757864437,0.5991450209032966,0.495855750119937
EOS-5-01963,CCN(Cc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12)c1ccc(F)cc1,HMZWYKROTSDNFF-UHFFFAOYSA-N,5,1,0.406,14,257,460.538,5.089,5,0.337,0.81,1.0,0.3813138235898842,0.36911452265094924,0.5611164416421082,0.4461740113768762,0.43942969981495444
EOS-5-01964,O=C(NCc1cncc2nnc(-c3ccc(C(F)(F)F)cc3)n12)C(F)=Cc1ccccn1,ZMWMGYQJXCFREQ-UHFFFAOYSA-N,5,1,0.449,66,225,442.376,3.832,4,0.375,0.81,1.0,0.36059043245836475,0.42087588239325613,0.9143992872318553,0.8063703652936742,0.6255589918442876
EOS-5-01965,COc1cc(-c2nnc3cncc(CNC(=O)C(=O)NCC(F)F)n23)ccc1-c1nccs1,WAKYYGFCHFLCNA-UHFFFAOYSA-N,5,1,0.404,5,966,473.465,1.921,4,0.393,0.8,1.0,0.44888972654375986,0.31074806387499143,0.11567918579946543,0.05085326571174011,0.2315425604824892
EOS-5-01966,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(F)c4)n23)ccc1-c1cnc(C)nn1,PJGZHXDBGKAFMH-UHFFFAOYSA-N,5,1,0.362,14,471,460.448,3.851,5,0.408,0.83,1.0,0.39044616544445204,0.33495819340689464,0.6593362346652045,0.5454989377013227,0.4825598828044685
EOS-5-01967,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cc1,PWGVYWSRNYLPAK-UHFFFAOYSA-N,5,1,0.74,48,378,407.861,3.426,4,0.529,0.89,1.0,0.8947895963265027,0.6667037900075389,0.612183880474265,0.5487115345075732,0.68059720032897
EOS-5-01968,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)cc1F,PVILYFLZUJIYNC-UHFFFAOYSA-N,5,1,0.43,68,233,433.369,2.992,4,0.489,0.79,1.0,0.367469673086149,0.44306421766842574,0.7717342882598862,0.6436244945514358,0.5564731683914742
EOS-5-01969,Cc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ncccn1,IRSVGVRWOQBTRW-UHFFFAOYSA-N,5,1,0.337,85,920,414.404,3.065,5,0.404,0.71,1.0,0.593173874306079,0.5058683434994174,0.2965441025289562,0.26132547460763483,0.4142279487355219
EOS-5-01970,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1Cl,ZHFMFVSOQGOBRL-UHFFFAOYSA-N,5,1,0.374,0,862,464.888,3.503,5,0.47,0.86,1.0,0.3790264546638339,0.392485093550819,0.4584332807895278,0.5188043999725859,0.43718730724419164
EOS-5-01972,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4(F)F)n23)ccc1-c1cnccn1,WWQYEBVPEANZSE-UHFFFAOYSA-N,5,1,0.416,5,966,437.41,2.528,5,0.494,0.62,1.0,0.37676478651223355,0.38330991707216777,0.5840072647522445,0.48923137550544854,0.4583283359605236
EOS-5-01973,COc1cc(-c2nnc3cncc(CNCc4ccc(F)c(Cl)c4)n23)ccc1-c1nccs1,CYEHWPJTCVEJJG-UHFFFAOYSA-N,5,1,0.422,14,257,480.956,5.006,5,0.353,0.83,1.0,0.467608457268179,0.49170721677746554,0.7915153176615722,0.7494774175861832,0.62507710232335
EOS-5-01974,O=C(NCc1cncc2nnc(-c3ccc(-c4csc(Cl)n4)nc3F)n12)C(F)(F)F,CEQKWRHVHYHHDX-UHFFFAOYSA-N,5,1,0.415,68,585,457.8,3.281,4,0.373,0.57,1.0,0.3605989993831814,0.4117778082379549,0.7575131930642177,0.7037728736892606,0.5584157185936536
EOS-5-01975,CCc1cc(F)cc(CNCc2cncc3nnc(-c4ccc(-c5cncnc5)c(OC)c4)n23)c1,WVKAUZIXRUDDEO-UHFFFAOYSA-N,5,1,0.382,60,257,469.524,4.248,5,0.363,0.74,1.0,0.40982454937975465,0.34505003084092933,0.7384003837982318,0.5991535878281132,0.5231071379617572
EOS-5-01977,COc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)c(F)n1,PYFTZXAXHQXOTM-UHFFFAOYSA-N,5,1,0.459,62,504,474.883,4.907,5,0.364,0.84,1.0,0.39045473236926875,0.4967874031937496,0.7647094099102186,0.7012027962442602,0.5882885854293742
EOS-5-01978,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(F)c1F,JTJXCHLQMZONQC-UHFFFAOYSA-N,5,1,0.356,0,129,466.423,3.127,5,0.471,0.82,0.995,0.36979987663628267,0.4208844493180728,0.5902953875676787,0.5991621547529299,0.495035467068741
EOS-5-01979,COc1cc(-c2nnc3cncc(COCCOc4cccc(F)n4)n23)ccc1-c1cnsc1,PXGWDGYCDZWWEV-UHFFFAOYSA-N,5,1,0.39,14,257,478.509,4.053,5,0.231,0.59,1.0,0.46761702419299567,0.3880045918717017,0.557792474813241,0.4272668083064903,0.4601702247961072
EOS-5-01980,C#Cc1ccc(F)cc1CNCc1cncc2nnc(-c3ccc(-c4cnsc4)c(OC)c3)n12,VUAGELXHPDYSKJ-UHFFFAOYSA-N,5,1,0.391,14,257,470.533,4.334,5,0.357,0.52,1.0,0.39481529710095264,0.39249366047563566,0.814371873072442,0.7255585634980467,0.5818098485367693
EOS-5-01981,COCC(C)NCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(F)c3)n12,NIMYEQRPWIDJQH-UHFFFAOYSA-N,5,1,0.341,78,75,427.871,3.165,4,0.484,0.64,1.0,0.4142022479610719,0.35939962990884794,0.587117058460695,0.5356041395380714,0.47408076896717155
EOS-5-01982,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNC3COc4cccnc43)n12,KHLSHDFRSPXEQH-UHFFFAOYSA-N,5,1,0.315,14,487,446.471,3.067,6,0.439,0.62,1.0,0.37446028373654994,0.34977897333972996,0.35930539373586456,0.3507299019943801,0.35856863820163115
EOS-5-01983,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4F)n23)c(F)c1,FTOKSPBQZLNVQQ-UHFFFAOYSA-N,5,1,0.527,83,504,470.414,5.0,5,0.399,0.85,0.998,0.34449318072784596,0.5376173668699884,0.9658094030566787,0.9616030429716949,0.702380748406552
EOS-5-01984,CCNc1c(-c2cc(F)ccc2F)ccc(-c2nnc3cncc(CNC4CCC4)n23)c1F,FWXMSPAKOFJGQX-UHFFFAOYSA-N,5,1,0.3,78,830,452.484,4.95,5,0.415,0.78,1.0,0.36060756630799806,0.3833184839969844,0.5514101158248236,0.7124597354533616,0.501948975395792
EOS-5-01985,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4ccc(F)c(C#N)n4)n23)cc1F,CWQCZYYZSGHXPY-UHFFFAOYSA-N,5,1,0.333,14,291,457.448,3.026,5,0.417,0.67,1.0,0.3674782400109657,0.37378349667603317,0.5935422520731958,0.5554365704886574,0.472560139812213
EOS-5-01986,COCC#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)ccc1Cl,AJDMQWICGXCPRB-UHFFFAOYSA-N,5,1,0.33,0,188,475.911,4.141,5,0.439,0.82,1.0,0.39681995750805293,0.49171578370228225,0.7809351655129875,0.8107223631005415,0.620048317455966
EOS-5-01987,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)c2)cs1,TXSWHUBJIQRSCG-UHFFFAOYSA-N,5,1,0.423,66,233,436.394,3.541,4,0.495,0.85,1.0,0.365148036460832,0.40229422246590363,0.8341957370982113,0.7281115070934138,0.5824373757795901
EOS-5-01988,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)ccn1,VWXRWQFLDLOSQI-UHFFFAOYSA-N,5,1,0.517,24,486,420.383,2.839,5,0.404,0.63,1.0,0.4676255911178123,0.41178637516277156,0.5777448427112604,0.5188129668974025,0.4939924439723117
EOS-5-01989,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5cc(F)ncn5)c4)n23)n1,YTEHRSLQAKNPPW-UHFFFAOYSA-N,5,1,0.473,75,486,415.392,2.46,5,0.399,0.64,1.0,0.5460729216640394,0.4917243506270989,0.2671595504077856,0.20546055787814407,0.377604345144267
EOS-5-01990,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4ccc(F)cc4F)n23)cc1,HOZZRKVZSKRDCD-UHFFFAOYSA-N,5,1,0.5,83,504,461.859,5.642,5,0.376,0.87,1.0,0.3047340826536906,0.5700517442258927,0.9465338222191763,0.9541840860804606,0.693875933794805
EOS-5-01991,CCn1cnnc1-c1ccc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)c(F)c1,VXODUKUDVQFXLY-UHFFFAOYSA-N,5,1,0.416,68,233,434.357,2.387,4,0.484,0.72,1.0,0.35119251593448014,0.4519652525529436,0.6297375094236173,0.5254266328558701,0.4895804776917278
EOS-5-01992,Cn1ccnc1-c1ccc(-c2nnc3cncc(CCc4ccc(Cl)nn4)n23)cc1F,XQVVEUHLWZBLOL-UHFFFAOYSA-N,5,1,0.379,85,487,434.866,3.56,5,0.42,0.74,1.0,0.35590432458364746,0.4345315605510246,0.3746059214584333,0.46823384277979574,0.40831891234322526
EOS-5-01993,Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc(F)c1O,ZSNYENIZCSGFBS-UHFFFAOYSA-N,5,1,0.35,0,999,421.407,3.643,5,0.525,0.77,0.998,0.45820197381947775,0.3925022274004523,0.6357429237201014,0.6695480090466726,0.5389987834966761
EOS-5-01994,COc1cc(-c2nnc3cncc(CNCc4ccc(Cl)nc4)n23)ccc1-c1ccoc1,JGLAUBPXBKGANZ-UHFFFAOYSA-N,5,1,0.362,60,41,446.898,4.398,5,0.37,0.74,1.0,0.38132239051470085,0.3107566307998081,0.7100181618806113,0.6466828867109862,0.5121950174765266
EOS-5-01995,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)COC4)n23)ccc1-c1cnsc1,UBHXFSJEALSXBH-UHFFFAOYSA-N,5,1,0.42,5,966,440.46,2.278,5,0.491,0.6,1.0,0.37903502158865054,0.33496676033171136,0.20299328353094373,0.1939551778493592,0.2777375608251662
EOS-5-01996,Cc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1ccnnc1Cl,CNHMFKDPSSXRTI-UHFFFAOYSA-N,5,1,0.359,68,585,448.796,2.784,4,0.511,0.57,0.999,0.3651566033856487,0.3544565142896306,0.6783548077582071,0.5934223151257625,0.49784756013981224
EOS-5-01997,N#CCOc1nnccc1-c1ccc(-c2nnc3cncc(CNC4CCC4)n23)cc1F,DHJNDLAETRGMEZ-UHFFFAOYSA-N,5,1,0.33,78,830,430.447,2.932,5,0.476,0.66,1.0,0.4120005482831883,0.31076519772462474,0.19261873757795903,0.34104927695154547,0.31410844013432937
EOS-5-01998,COc1cc(-c2nnc3cncc(CN(C)c4ccc(F)cc4)n23)ccc1-c1ccsn1,JCZNOVPCLZWKQY-UHFFFAOYSA-N,5,1,0.423,14,257,446.511,4.699,5,0.377,0.76,1.0,0.36748680693578234,0.35446508121444725,0.6507693098485368,0.5055342334315674,0.4695638578575835
EOS-5-01999,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(OC)c1F,LUXJQFMAXCWGDB-UHFFFAOYSA-N,5,1,0.349,0,862,478.459,2.997,5,0.441,0.8,0.717,0.4604293742718114,0.3785724076485505,0.39307621136316906,0.33155712425467754,0.3909087793845521
EOS-5-02001,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC(=O)CC(F)(F)F)n34)cc2F)n1,VRIRNJXQNAVWBU-UHFFFAOYSA-N,5,1,0.434,66,233,446.368,2.659,4,0.469,0.64,1.0,0.34214584332807896,0.42089301624288944,0.6153108080323487,0.5156774724145021,0.4735067850044548
EOS-5-02002,Cc1nc(-c2cc(-c3nnc4cncc(OCc5ccc(Cl)nn5)n34)cs2)cs1,HEBHAWGGLLCQSF-UHFFFAOYSA-N,5,1,0.455,53,617,441.929,4.307,5,0.401,0.69,1.0,0.35120108285929685,0.3973254060722363,0.19948084435610994,0.22275717908299636,0.29269112809265985
EOS-5-02003,Nc1ncc(F)c(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)n1,YUGYTBGOZHDUBI-UHFFFAOYSA-N,5,1,0.441,2,422,421.421,2.4,5,0.454,0.6,1.0,0.47782023164964704,0.339901309026112,0.12155609622369955,0.12114488383249948,0.2651056301829895
EOS-5-02004,Cn1ccc(CCOc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)n1,JZVSKHHTFVENOJ-UHFFFAOYSA-N,5,1,0.523,37,832,422.449,2.804,5,0.415,0.68,1.0,0.3968285244328696,0.5147436776094853,0.2420927283942156,0.2490919059694332,0.3506892091015009
EOS-5-02005,Fc1cnc(N2CCC2)nc1COc1cncc2nnc(-c3ccc(Cl)nc3)n12,MVOIOCKRHYPVNC-UHFFFAOYSA-N,5,1,0.43,68,555,412.816,2.558,5,0.461,0.65,1.0,0.5674988006305257,0.6420396134603523,0.004951682544033994,0.04556747309985608,0.315014392433692
EOS-5-02006,COc1cc(-c2nnc3cncc(CNC(=O)C(C)(F)F)n23)ccc1-c1cscn1,CCSPUYSHUJMXKB-UHFFFAOYSA-N,5,1,0.424,5,966,430.44,3.195,4,0.505,0.75,1.0,0.39898738948666984,0.334975327256528,0.5578010417380577,0.3410578438763621,0.4082054005894044
EOS-5-02007,Cc1cncc(COc2cncc3nnc(-c4cncc(-c5cc(F)ccn5)c4)n23)n1,YUSTXVHNRXMDHH-UHFFFAOYSA-N,5,1,0.451,2,422,414.404,3.065,5,0.432,0.63,1.0,0.5616647248303749,0.514752244534302,0.41825440339935577,0.3895894729627853,0.47106521143170454
EOS-5-02008,COc1cc(-c2nnc3cncc(CNCc4ccc(Cl)cn4)n23)ccc1-c1cnsc1,RWUGBFPQLCJQID-UHFFFAOYSA-N,5,1,0.366,60,41,463.954,4.262,5,0.385,0.59,1.0,0.3925707627989857,0.30555650743609075,0.5344476046878213,0.49549379754643275,0.4320171681173326
EOS-5-02009,Fc1ccnc(CCc2cncc3nnc(-c4ccc(-c5ncsn5)c(F)c4)n23)c1,PPCFEFSYXQCQKK-UHFFFAOYSA-N,5,1,0.393,14,580,421.436,3.768,5,0.43,0.63,1.0,0.4032622849701871,0.5284164896168871,0.48961688712219864,0.5747035844013433,0.49899981152765405
EOS-5-02010,Cn1nccc1-c1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)cnn1,AGPMOVDFZUWWLV-UHFFFAOYSA-N,5,1,0.511,65,778,417.408,2.137,5,0.413,0.65,1.0,0.5125676787060517,0.42533925022274005,0.28574977725995476,0.2613340415324515,0.3712476869302995
EOS-5-02011,Cn1ccnc1-c1cc(-c2nnc3cncc(Oc4c(F)cc(Cl)cc4F)n23)nn1C,CVDDIDQUPKVNCL-UHFFFAOYSA-N,5,1,0.382,95,956,442.817,3.649,5,0.422,0.59,1.0,0.34911932012884656,0.4023027893907203,0.5344561716126379,0.5777876773353438,0.46591648961688714
EOS-5-02012,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4F)n23)CC1,JCSMHHYDLWOQRB-UHFFFAOYSA-N,5,1,0.388,78,753,438.488,3.158,5,0.497,0.8,1.0,0.3813309574395175,0.3159224864642588,0.048274621341923105,0.1385443081351518,0.2210180933452128
EOS-5-02013,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)CC4F)n23)ccc1-c1cncs1,QYVLCUVEWUMHQE-UHFFFAOYSA-N,5,1,0.42,5,966,442.451,2.99,5,0.493,0.52,1.0,0.3559128915084641,0.37858097457336715,0.554879720375574,0.48923994243026525,0.44465338222191764
EOS-5-02015,N#Cc1cc(NCc2cncc3nnc(-c4ccc(Br)cc4)n23)ccc1F,NLMJGKKPUDDSIE-UHFFFAOYSA-N,5,1,0.427,23,678,423.249,4.177,4,0.533,0.82,1.0,0.3882873003906518,0.5100147351106846,0.9173548762936057,0.9109639503803715,0.6816552155438285
EOS-5-02016,N#Cc1cnc(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)c(F)c1,HBUWHANWXRTGQU-UHFFFAOYSA-N,5,1,0.489,7,420,415.348,2.221,5,0.419,0.64,1.0,0.5434942772942225,0.4738965800836132,0.38943526831608527,0.37669625111370025,0.4458805942019053
EOS-5-02017,CCn1ccnc1-c1cc(-c2nnc3cncc(OCc4cccc(Cl)n4)n23)ccn1,QSMDDJGXLYCVSG-UHFFFAOYSA-N,5,1,0.495,75,420,432.875,3.697,5,0.377,0.61,1.0,0.3698084435610993,0.3880131587965184,0.2599204989377013,0.26741655815228565,0.32128966486190114
EOS-5-02018,Cc1nnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)cc2F)s1,BCVCENJUFLUJMI-UHFFFAOYSA-N,5,1,0.448,66,233,437.382,2.936,4,0.493,0.78,1.0,0.3583887327804811,0.38332705092180114,0.6565776848742375,0.555445137413474,0.48843465149749843
EOS-5-02019,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4F)n23)ccc1-c1cscn1,WUGXSQHGLJLAEB-UHFFFAOYSA-N,5,1,0.412,5,966,424.461,2.898,5,0.512,0.59,1.0,0.4258532657117401,0.3594081968336646,0.3667414844767322,0.3001165101775067,0.3630298642999109
EOS-5-02020,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cn1,WYPHJHKRQFCPBO-UHFFFAOYSA-N,5,1,0.372,68,364,421.333,3.756,4,0.361,0.5,1.0,0.39899595641148655,0.5284250565417038,0.9087365499280379,0.7840192584469878,0.655044205332054
EOS-5-02021,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Br)c(F)n4)n23)cc1F,UBGQJEYUSHMBQT-UHFFFAOYSA-N,5,1,0.375,22,129,445.227,3.254,4,0.49,0.82,1.0,0.3606161332328148,0.3497875402645466,0.7150983482968953,0.6784661777808237,0.5259920498937701
EOS-5-02022,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ccc(F)nn5)nn4)n23)ccn1,FMQWCDHHWOVNEE-UHFFFAOYSA-N,5,1,0.317,53,920,419.355,2.29,5,0.396,0.53,0.984,0.4514084024398602,0.4608234528133781,0.3557415530121308,0.379874580220684,0.41196199712151327
EOS-5-02023,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(OC)c3)n12,CTZKPJHBLZHSKJ-UHFFFAOYSA-N,5,1,0.426,5,966,439.863,2.173,4,0.465,0.85,1.0,0.4032708518950038,0.22894249880063053,0.1389383866767185,0.08524946885066137,0.21410030155575355
EOS-5-02024,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cccc(-c5nncs5)n4)n23)ccc1F,BNOQSMZTNTWJIR-UHFFFAOYSA-N,5,1,0.469,81,218,485.508,3.823,6,0.35,0.63,0.999,0.5076245630868343,0.6189346172297991,0.30018504557604003,0.285072990199438,0.42795430402302786
EOS-5-02025,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)c5ccco5)n34)c(F)c2)cs1,ZBYPIRJYNKAWTM-UHFFFAOYSA-N,5,1,0.434,14,487,434.456,3.885,5,0.451,0.83,1.0,0.37202727708861627,0.35941676375848125,0.3039373586457405,0.24910047289424989,0.32112046809677197
EOS-5-02027,COc1cc(-c2nnc3cncc(CNC(=O)c4cncc(C)n4)n23)ccc1-c1cncnc1,ABSLWEPDHSHJJP-UHFFFAOYSA-N,5,1,0.417,85,172,453.466,2.285,5,0.411,0.71,1.0,0.4188026865876225,0.17315468439448975,0.13568295524638477,0.06713042286340895,0.19869268727297648
EOS-5-02028,CN(Cc1cnc(Cl)c(F)c1)Cc1cncc2nnc(-c3ccc(-c4ncsn4)cc3)n12,AOMUZYLTEJJHAG-UHFFFAOYSA-N,5,1,0.46,14,856,466.933,4.129,5,0.348,0.55,1.0,0.36516517031046536,0.3880217257213351,0.46183434994174494,0.4923840038379823,0.42685131245288194
EOS-5-02029,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(F)c4)n23)ccc1-c1cnsn1,XXHSMUKUWSTGNK-UHFFFAOYSA-N,5,1,0.373,14,291,451.462,4.209,5,0.414,0.74,1.0,0.36280069906106505,0.3300407785621273,0.7459992461106162,0.6638338701939552,0.525668648481941
EOS-5-02030,O=C(NCc1cncc2nnc(-c3ccc(-c4ncno4)nc3Cl)n12)C(F)(F)F,JPYNSSBNRPLQMC-UHFFFAOYSA-N,5,1,0.394,68,585,424.73,2.068,4,0.494,0.72,1.0,0.4076057158522377,0.392510794325269,0.5479833458981564,0.4863014872181482,0.45860033582345283
EOS-5-02031,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5ccncc5)c4)n23)n1,XQQHOXDZHIEBRP-UHFFFAOYSA-N,5,1,0.549,24,183,415.844,3.876,5,0.402,0.75,1.0,0.492521074635049,0.5469467479953396,0.5967719827290796,0.6116184634363648,0.5619645671989583
EOS-5-02032,N#Cc1cc(F)cc(NCc2cncc3nnc(-c4ccc(-c5ncon5)c(F)c4)n23)c1,SLGFAJIQBHECNE-UHFFFAOYSA-N,5,1,0.388,14,291,430.378,3.603,5,0.449,0.77,1.0,0.37677335343705026,0.3785895414981838,0.8060876567747242,0.7908470975258721,0.5880744123089576
EOS-5-02033,COc1cc(-c2nnc3cncc(CNCc4cccc(F)n4)n23)ccc1-c1cnsc1,MXQMZPFRINRSTB-UHFFFAOYSA-N,5,1,0.371,60,41,447.499,3.747,5,0.38,0.61,1.0,0.3744688506613666,0.29056438900692205,0.5034096360770338,0.417603317113289,0.39651154821465284
EOS-5-02034,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1nccn1CC,PFRMAMHKTQMQES-UHFFFAOYSA-N,5,1,0.306,85,920,444.474,3.745,5,0.353,0.59,0.984,0.3535741210335138,0.3544736481392639,0.1763672812007402,0.14098588170790213,0.25635023302035503
EOS-5-02035,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)c2)no1,CRWJHVHGQXBWEC-UHFFFAOYSA-N,5,1,0.442,68,233,421.314,2.467,4,0.504,0.83,1.0,0.432458364745391,0.4253478171475567,0.6837091357686245,0.5554537043382908,0.5242422554999657
EOS-5-02036,Clc1ccc(COc2cncc3nnc(-c4cncnc4)n23)nc1-c1cncnc1,CWNUONJGBRBQRT-UHFFFAOYSA-N,5,1,0.506,7,435,417.82,2.666,5,0.425,0.62,1.0,0.43956891234322526,0.5561561921732575,0.3403553560413954,0.3735436227811665,0.4274060208347612
EOS-5-02037,COc1cc(-c2nnc3cncc(OCCc4cnco4)n23)ccc1-c1cscn1,DKTPDSBKESPWKW-UHFFFAOYSA-N,5,1,0.542,35,777,420.454,3.533,5,0.394,0.71,1.0,0.497369954081283,0.29057295593173876,0.3110222054691248,0.20546912480296073,0.3261085600712768
EOS-5-02038,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cccc(F)c1F,ZMHVBWCDNGKGKY-UHFFFAOYSA-N,5,1,0.412,5,830,421.451,4.387,5,0.5,0.87,1.0,0.4536443698170105,0.3594253306832979,0.5871256253855116,0.7229028168048797,0.530774535672675
EOS-5-02039,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1cncn1C,LXCNVVRHNCHDJP-UHFFFAOYSA-N,5,1,0.32,85,920,430.447,3.262,5,0.382,0.53,0.909,0.3628092659858817,0.4164639161126722,0.3074155301213077,0.24910903981906654,0.33394943800973204
EOS-5-02040,O=C(NCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3)n12)C(F)(F)F,ITAZEQIRSOCWBN-UHFFFAOYSA-N,5,1,0.417,68,585,434.769,2.475,4,0.525,0.83,1.0,0.3491278870536632,0.4117949420875882,0.6390497566993352,0.5684325954355425,0.4921012953190323
EOS-5-02041,COc1nnccc1-c1ccc(-c2nnc3cncc(CNCC(F)F)n23)cc1F,IBHGAZBAASMWLV-UHFFFAOYSA-N,5,1,0.359,66,75,415.379,2.751,4,0.496,0.66,1.0,0.507633130011651,0.5284336234665205,0.7256527996710301,0.6379446233979851,0.5999160441367966
EOS-5-02042,COc1cc(-c2nnc3cncc(CNc4cc(F)cc(C#N)c4)n23)ccc1-c1cncnc1,OJUYAMDVWVYEFZ-UHFFFAOYSA-N,5,1,0.349,14,257,452.453,3.88,5,0.413,0.73,1.0,0.367495373860599,0.3005962579672401,0.8270423548762936,0.7310242615310808,0.5565395620588034
EOS-5-02043,Cn1ccnc1-c1nc(-c2ccsc2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,VYUVIJKZNYVRLF-UHFFFAOYSA-N,5,1,0.544,6,796,480.557,4.332,6,0.335,0.62,0.885,0.49252964155986567,0.33498389418134467,0.16027002947022137,0.15875368377767116,0.2866343122472757
EOS-5-02044,COc1cc(-c2nnc3cncc(OCCc4cnoc4)n23)ccc1-c1cccnc1OC,RZJQAGPXYFLWAD-UHFFFAOYSA-N,5,1,0.529,35,103,444.451,3.48,5,0.355,0.61,1.0,0.4165238845863889,0.16089541498183813,0.407751353574121,0.220007196216846,0.3012944623397985
EOS-5-02045,N#Cc1cccc(CNCc2cncc3nnc(-c4ccc(-c5cnsn5)c(F)c4)n23)n1,PWKYNUBAICVDNY-UHFFFAOYSA-N,5,1,0.343,60,41,443.471,3.005,5,0.426,0.64,1.0,0.365173737235282,0.31077376464944145,0.4404341717497087,0.4491810019875266,0.3913906689054897
EOS-5-02046,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CC3CCC(F)(F)CC3)n12,OGWTZCCJJNULEB-UHFFFAOYSA-N,5,1,0.393,78,830,430.459,4.817,5,0.464,0.65,0.999,0.3512096497841135,0.43884929065862516,0.3222277431293263,0.6495442395997533,0.4404577307929546
EOS-5-02047,N#Cc1cc(-c2nnc3cncc(CNc4ccc(F)cc4)n23)ccc1OCC1CCC1,BTQUKYDILNYEHU-UHFFFAOYSA-N,5,1,0.396,0,678,428.471,4.593,5,0.463,0.86,1.0,0.38594852991570144,0.36405147008429856,0.4723459666917963,0.6320848468233843,0.4636077033787951
EOS-5-02048,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4ccc(-c5ccccn5)nn4)n23)cc1,BJNLEPPZOARHKB-UHFFFAOYSA-N,5,1,0.371,14,416,462.439,3.952,5,0.408,0.76,1.0,0.35592145843328077,0.3640600370091152,0.8737406620519498,0.797812007401823,0.5978835412240422
EOS-5-02049,COc1cc(-c2nnc3cncc(CNCc4cc(F)cnc4OC)n23)ccc1-c1cscn1,QFFGIZVHJTWISV-UHFFFAOYSA-N,5,1,0.342,60,257,477.525,3.756,5,0.361,0.72,1.0,0.4283034062093071,0.3833356178466178,0.4107926118840381,0.2554057295593174,0.36945934137482006
EOS-5-02050,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5cnco5)c4)n23)c(F)c1F,HEDYWSFDYKOMDT-UHFFFAOYSA-N,5,1,0.312,96,648,432.39,3.751,5,0.465,0.84,1.0,0.37447741758618325,0.345058597765746,0.7853985333424713,0.7255671304228634,0.557625419779316
EOS-5-02051,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,UTUNYIGRSXXZCH-UHFFFAOYSA-N,5,1,0.535,83,504,460.324,6.017,5,0.356,0.89,1.0,0.2886282639983552,0.5469553149201563,0.9125059968473717,0.9362021108902748,0.6710729216640395
EOS-5-02052,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cnco5)c(Cl)c4)n23)cc1F,ZQTHHWMRBUALTG-UHFFFAOYSA-N,5,1,0.353,62,341,474.883,4.798,6,0.393,0.86,1.0,0.3836354602152012,0.43454012747584125,0.6507778767733534,0.7622935371119183,0.5578117503940785
EOS-5-02053,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5c[nH]c(C)n5)cc4Cl)n23)cc1F,DQCHIRYIQYLEOR-UHFFFAOYSA-N,5,1,0.337,96,648,461.888,4.309,5,0.415,0.72,1.0,0.36281783291069836,0.3349924611061613,0.7510023302035501,0.7124683023781784,0.540320231649647
EOS-5-02054,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4Cl)n23)cc1F,BMYAIZSVZYUJCS-UHFFFAOYSA-N,5,1,0.374,0,862,464.888,3.503,5,0.47,0.85,1.0,0.3535826879583305,0.37859810842300046,0.4584418477143445,0.5188215338222192,0.42736104447947365
EOS-5-02055,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)n23)cc1F,HKSIUKCYLVHESM-UHFFFAOYSA-N,5,1,0.394,0,188,450.861,3.242,5,0.484,0.86,1.0,0.3421544102528956,0.36406860393393187,0.44766465629497637,0.5618189294770749,0.42892664998971974
EOS-5-02056,O=C(NCc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12)c1ccc(Cl)cn1,BRTPRSCCGDSHRC-UHFFFAOYSA-N,5,1,0.469,14,81,466.889,3.427,5,0.422,0.72,1.0,0.35121821670893016,0.397333972997053,0.2965526694537729,0.36034199163868136,0.35136171269960936
EOS-5-02057,COc1cnc(N(C)Cc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4F)n23)nc1,CABLNOPCMWOXKI-UHFFFAOYSA-N,5,1,0.373,14,351,462.514,3.797,5,0.376,0.8,1.0,0.36062470015763143,0.330049345486944,0.1418682749640189,0.08351895003769447,0.2290153176615722
EOS-5-02058,CC(C)(N)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)cc1,FRZYEHZDONNUNX-UHFFFAOYSA-N,5,1,0.516,62,504,466.52,5.044,5,0.378,0.9,1.0,0.3767819203618669,0.31593105338907546,0.9078455897471044,0.7887053663217052,0.597315982454938
EOS-5-02059,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1Cl,SEJNTZHKGFVBBD-UHFFFAOYSA-N,5,1,0.375,0,188,464.888,3.503,5,0.47,0.9,1.0,0.3445017476526626,0.39734253992186963,0.447673223219793,0.5188301007470358,0.42708690288534024
EOS-5-02060,Fc1cnccc1CCOc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12,MCZWQHRZSMFDGG-UHFFFAOYSA-N,5,1,0.727,90,305,401.348,3.548,4,0.472,0.81,1.0,0.9871924473990816,0.9855989993831814,0.9413679665547255,0.9141679802618052,0.9570818483996986
EOS-5-02062,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)cc2F)n(C)n1,RWZPEZNQSWOWET-UHFFFAOYSA-N,5,1,0.458,68,233,434.357,2.213,4,0.494,0.79,1.0,0.3512267836337468,0.38334418477143445,0.5611250085669248,0.44285861147282574,0.43463864711123296
EOS-5-02063,O=C(Cc1cccc(F)c1F)NCc1cncc2nnc(-c3ccc(-c4ncon4)c(F)c3)n12,LIQDXPGLYJZHHI-UHFFFAOYSA-N,5,1,0.45,14,358,465.395,3.118,5,0.41,0.8,1.0,0.339695702830512,0.4068775272428209,0.645192241792886,0.6466914536358029,0.5096142313755054
EOS-5-02064,O=C(CC(F)(F)F)NCc1cncc2nnc(-c3ccc(-c4cccnn4)c(F)c3)n12,DZLQXKBATNFXHP-UHFFFAOYSA-N,5,1,0.434,66,233,431.353,2.956,4,0.488,0.81,1.0,0.34451031457747927,0.42535638407237336,0.8162308957576588,0.7519703927078336,0.5845169967788362
EOS-5-02065,COc1cc(-c2nnc3cncc(CNCc4ccc(F)nc4)n23)ccc1-c1ccsn1,ONPVADBQTXNMAC-UHFFFAOYSA-N,5,1,0.343,14,257,447.499,3.747,5,0.38,0.72,1.0,0.3559300253580975,0.3055650743609074,0.5309265985881708,0.427275375231307,0.40492426838462064
EOS-5-02066,O=C(NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3Cl)n12)C(F)(F)F,GTBDOPLUALJGEI-UHFFFAOYSA-N,5,1,0.452,68,233,439.81,3.142,4,0.524,0.71,1.0,0.33016071550956066,0.4068860941676376,0.7532211637310671,0.7150726475224454,0.5513351552326777
EOS-5-02067,Cc1nnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)c2)s1,YVNNPTJKKVLOPZ-UHFFFAOYSA-N,5,1,0.418,66,233,437.382,2.936,4,0.493,0.77,1.0,0.34692618737577957,0.3640771708587485,0.6565862517990542,0.5519583990130903,0.47988700226166814
EOS-5-02068,Cc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1nncs1,NMXIQNHPADITQC-UHFFFAOYSA-N,5,1,0.33,85,920,420.433,3.126,5,0.4,0.58,0.999,0.41653245151120555,0.4563600849838942,0.21686313480912892,0.20833047769172777,0.32452153724898913
EOS-5-02069,COc1cc(-c2nnc3cncc(CNC(=O)C(C)(F)F)n23)ccc1-c1nccs1,JMWBCXKSPDRYNZ-UHFFFAOYSA-N,5,1,0.424,5,966,430.44,3.195,4,0.505,0.85,1.0,0.3790435885134672,0.32562024535672673,0.4896254540470153,0.27915324515112055,0.3683606332670824
EOS-5-02070,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c(F)c1,KYGFFDHVXIAMPF-UHFFFAOYSA-N,5,1,0.551,83,504,452.424,4.86,5,0.42,0.86,1.0,0.30717565622644094,0.447724624768693,0.9386179836885752,0.9278322253443904,0.6553376225070249
EOS-5-02071,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(F)c4)n23)ccc1-c1cncs1,ABLKVSCJPZNZOA-UHFFFAOYSA-N,5,1,0.388,14,291,450.474,4.814,5,0.4,0.83,1.0,0.34913645397847987,0.32562881228154344,0.8453841409087793,0.7673480227537524,0.5718743574806388
EOS-5-02072,COc1cc(-c2nnc3cncc(CN(C)c4ccc(F)cn4)n23)ccc1-c1cnco1,BZCJJFJUKUTOFO-UHFFFAOYSA-N,5,1,0.429,14,257,431.431,3.625,5,0.402,0.66,1.0,0.369817010485916,0.33990987595092864,0.4404427386745254,0.28777157151668836,0.3594852991570146
EOS-5-02073,CCOc1ncccc1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12,DOWXVWGYDDLCIH-UHFFFAOYSA-N,5,1,0.366,60,172,462.514,3.532,5,0.374,0.68,1.0,0.3512353505585635,0.3399184428757453,0.23492221232266466,0.18302378178329107,0.27727494688506615
EOS-5-02074,COc1cc(-c2nnc3cncc(CN(C)c4ccc(Cl)nn4)n23)ccc1-c1cnco1,PRDBZOHSPGPCFI-UHFFFAOYSA-N,5,1,0.4,14,257,448.874,3.535,5,0.385,0.68,1.0,0.35593859228291413,0.29562744157357274,0.259929065862518,0.1885237475155918,0.27500471180864916
EOS-5-02075,Fc1cc(Cc2cncc3nnc(-c4ccc(-c5cncs5)cc4)n23)nnc1-c1cnccn1,QUQJSUPGTBNKDR-UHFFFAOYSA-N,5,1,0.341,42,50,467.493,3.892,6,0.376,0.59,1.0,0.3512439174833802,0.3833527516962511,0.32586011925159347,0.37988314714550064,0.36008498389418137
EOS-5-02076,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cc1,RSDABKACBZRWDA-UHFFFAOYSA-N,5,1,0.659,48,378,408.849,2.821,4,0.493,0.88,1.0,0.8023867452539236,0.5749520252210266,0.46901343293811254,0.370099719004866,0.5541129806044822
EOS-5-02077,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCCc4ccc(F)c(F)c4)n23)cc1F,JHZDMABPALLYDA-UHFFFAOYSA-N,5,1,0.444,14,291,463.467,3.941,5,0.37,0.74,1.0,0.32743643341786033,0.41647248303748885,0.8143804399972586,0.8020954698101569,0.5900962065656912
EOS-5-02079,COc1cc(-c2nnc3cncc(CNCC4(F)COC4)n23)ccc1-c1cscn1,MDBOKUQAFGMDQU-UHFFFAOYSA-N,5,1,0.381,5,743,426.477,2.752,5,0.486,0.6,1.0,0.4011633883901035,0.30557364128572406,0.3186382016311425,0.29096703447330546,0.32908556644506887
EOS-5-02080,Fc1ccc(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1-n1nccn1,GLFJTXLPTZCEPR-UHFFFAOYSA-N,5,1,0.472,55,390,423.799,2.534,5,0.397,0.61,1.0,0.33501816188061134,0.5802720855321774,0.25993763278733467,0.3315656911794942,0.37669839284490436
EOS-5-02081,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,FFHBNOQYBKOPJS-UHFFFAOYSA-N,5,1,0.619,90,636,408.849,2.821,4,0.527,0.86,1.0,0.7993283530943732,0.5700603111507093,0.3894438352409019,0.3127270235076417,0.5178898807484066
EOS-5-02082,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)cc2F)ns1,BFTKNHIDWNUEBM-UHFFFAOYSA-N,5,1,0.457,68,233,437.382,2.936,4,0.493,0.68,1.0,0.335026728805428,0.3737920636008498,0.6421681173326023,0.5387310670961551,0.4724294942087588
EOS-5-02083,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(C)c1F,LJKDUQVJDPMAHK-UHFFFAOYSA-N,5,1,0.318,0,188,462.46,3.297,5,0.474,0.86,1.0,0.35359125488314713,0.3159396203138921,0.4143907203070386,0.41134089507230487,0.3738156226440956
EOS-5-02084,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNC(=O)c4c(F)cccc4F)n23)cc1F,CETZLARCMLTCII-UHFFFAOYSA-N,5,1,0.521,88,876,463.423,3.539,5,0.431,0.77,1.0,0.3301692824343774,0.3973511068466863,0.7024535672674936,0.6984442464532932,0.5321045507504626
EOS-5-02085,COc1cc(-c2nnc3cncc(CCc4ccc(C#N)nn4)n23)ccc1-c1cncnc1,VREBWNDOJIUHMT-UHFFFAOYSA-N,5,1,0.398,85,172,435.451,2.704,5,0.395,0.68,1.0,0.39257932972380233,0.20858748543622782,0.32223631005414294,0.2729250908094031,0.29908205400589405
EOS-5-02086,COc1cc(-c2nnc3cncc(CNCCc4ccc(F)cc4)n23)ccc1-c1cnsn1,NKOSNZXOUIZNFJ-UHFFFAOYSA-N,5,1,0.396,14,257,461.526,3.79,5,0.352,0.77,1.0,0.37905215543828386,0.23362003975053114,0.4826862449455144,0.4303252004660407,0.38142091015009255
EOS-5-02087,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5cc(F)ccn5)c4)n23)n1,JRECVHIPKIFUTH-UHFFFAOYSA-N,5,1,0.58,24,912,413.416,3.67,5,0.434,0.7,1.0,0.5589661435131246,0.5013278733465835,0.5309351655129875,0.4742049893770132,0.5163585429374272
EOS-5-02088,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4Cl)n23)c(F)c1,PGIQZNRVWQGUCF-UHFFFAOYSA-N,5,1,0.413,0,999,450.861,3.242,5,0.484,0.84,1.0,0.33503529573024465,0.335001028030978,0.4618429168665616,0.551966965937907,0.4209615516414228
EOS-5-02089,N#Cc1cc(F)cc(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)n1,SBXCGIMRMZJJAU-UHFFFAOYSA-N,5,1,0.529,7,420,415.348,2.221,5,0.419,0.59,1.0,0.505080186416284,0.47390514700842984,0.3667500514015489,0.34421903913371255,0.4224886059899938
EOS-5-02090,Fc1ncccc1-c1ccc(CNCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)nn1,TXMZLGXCUCCYLF-UHFFFAOYSA-N,5,1,0.376,60,416,463.427,3.405,5,0.366,0.7,0.99,0.33255945445822765,0.37860667534781717,0.6211534507573162,0.5650229593585087,0.4743356349804674
EOS-5-02091,Cn1nc(-c2nnc3cncc(OCc4cc(F)c(F)cc4F)n23)cc1-c1ncon1,ZGSKVPYNFCTWMZ-UHFFFAOYSA-N,5,1,0.448,95,998,428.334,2.571,5,0.393,0.63,1.0,0.38364402714001783,0.31594818723870877,0.5578096086628743,0.5777962442601604,0.4587995168254403
EOS-5-02092,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)cc4F)n23)c(F)c1F,HWMYFXZPINPIQH-UHFFFAOYSA-N,5,1,0.324,96,648,460.419,4.297,5,0.432,0.81,1.0,0.3151257624563087,0.4118035090124049,0.892125282708519,0.8702367898019328,0.6223228359947914
EOS-5-02093,Clc1ccc(-c2nnc3cncc(OCCc4ccc(-n5cnnn5)nn4)n23)cn1,WBTWVKZSWDIOGS-UHFFFAOYSA-N,5,1,0.484,36,779,421.812,1.227,5,0.368,0.63,0.988,0.35839729970529777,0.5469638818449729,0.05011651017750668,0.0927969296141457,0.2620686553354808
EOS-5-02094,Cc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1ccccn1,GHMUZQWTFYDWMH-UHFFFAOYSA-N,5,1,0.379,14,920,413.416,3.67,5,0.406,0.7,0.999,0.5487715029812898,0.5147608114591187,0.4792166403947639,0.4336320334452745,0.49409524707011176
EOS-5-02095,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(F)c1F,ZXQCIRKTEWMVNJ-UHFFFAOYSA-N,5,1,0.354,0,938,448.433,2.988,5,0.489,0.86,1.0,0.3374683023781783,0.3256373792063601,0.44045130559934204,0.43364060037009117,0.3842993968884929
EOS-5-02096,Cc1cncc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)n2)n1,WPJGIJYZTQYTIA-UHFFFAOYSA-N,5,1,0.39,68,585,432.341,2.269,4,0.389,0.7,1.0,0.33970426975532864,0.3925193612500857,0.6297460763484339,0.4892485093550819,0.46280455417723254
EOS-5-02097,Cc1nc(-c2nnc3cncc(COc4ccc(F)cn4)n23)ccc1-c1cccnn1,AYKHKJXVQCZKEB-UHFFFAOYSA-N,5,1,0.333,85,920,414.404,3.065,5,0.432,0.66,1.0,0.5175964635734357,0.49679597011856624,0.32224487697895965,0.287780138441505,0.40610436227811664
EOS-5-02098,Cn1nc(-c2ccncc2)cc1CNCc1cncc2nnc(-c3ccc(Cl)c(F)c3)n12,FFASQLVMMACRPE-UHFFFAOYSA-N,5,1,0.383,14,291,448.893,3.669,5,0.426,0.78,1.0,0.3176016037283257,0.37380063052566653,0.5806918648481941,0.6205623329449661,0.47316410801178815
EOS-5-02099,OCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(F)c3)n12,FSLDYAIGQDVRAB-UHFFFAOYSA-N,5,1,0.348,78,75,439.882,2.759,5,0.456,0.53,1.0,0.3397128366801453,0.3300579124117607,0.5578181755876911,0.687204441093825,0.47869834144335555
EOS-5-02100,COc1cc(-c2nnc3cncc(OCCC4CCOCC4)n23)ccc1-c1cscn1,HHNQQXNOPKTOFF-UHFFFAOYSA-N,5,1,0.529,5,548,437.525,4.119,5,0.43,0.75,1.0,0.4098331163045713,0.14541498183811938,0.040427318209855394,0.11417140703173188,0.1774617058460695
EOS-5-02101,COc1cc(-c2nnc3cncc(CNC(=O)c4cnccn4)n23)ccc1-c1cscn1,ZFMUCWNDELKAFN-UHFFFAOYSA-N,5,1,0.434,14,257,444.48,2.643,5,0.424,0.83,1.0,0.38133952436433416,0.19016859708039202,0.1215646631485162,0.06375505448564184,0.18920695976972107
EOS-5-02102,COc1cc(-c2nnc3cncc(CNc4cccc(Cl)c4)n23)ccc1-c1cscn1,LQMCRELQJCBRHT-UHFFFAOYSA-N,5,1,0.404,14,257,448.939,5.189,5,0.385,0.83,1.0,0.3559471592077308,0.2592951134260846,0.6783633746830238,0.6320934137482009,0.48142476526626
EOS-5-02103,COc1cc(-c2nnc3cncc(CNC(=O)c4cnc(C)cn4)n23)ccc1-c1cccnc1,FSTHDROPEKJEFQ-UHFFFAOYSA-N,5,1,0.44,14,172,452.478,2.89,5,0.418,0.84,1.0,0.3836525940648345,0.18156740456445755,0.19262730450277568,0.10712082790761428,0.2162420327599205
EOS-5-02104,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cc(F)cc(CO)n1,CBGKOAHHOJZTGL-UHFFFAOYSA-N,5,1,0.361,5,741,434.475,3.135,5,0.461,0.76,1.0,0.38366116098965114,0.2238366116098965,0.22052977863066273,0.31587965184017547,0.28597680076759646
EOS-5-02105,O=C(NCc1cncc2nnc(-c3ccc(-c4nncs4)c(F)c3)n12)C(F)(F)F,CXNKMFAXYQUJSI-UHFFFAOYSA-N,5,1,0.453,66,233,423.355,2.627,4,0.507,0.72,1.0,0.38595709684051815,0.40689466109245426,0.7693441162360359,0.6844630251524912,0.5616647248303749
EOS-5-02106,CCc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ncc1-c1nccn1C,FWCPDPSZRFQLNT-UHFFFAOYSA-N,5,1,0.308,7,489,431.435,2.657,5,0.378,0.61,1.0,0.3445188815022959,0.3691230895757659,0.07180796381330957,0.06713898978822562,0.21314723116989925
EOS-5-02107,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(F)c1,OPJJPQYQQYJJKC-UHFFFAOYSA-N,5,1,0.383,0,862,448.433,2.988,5,0.489,0.88,1.0,0.33504386265506136,0.3159567541635255,0.45845041463916114,0.45881022548146116,0.3920653142348023
EOS-5-02108,Clc1cc(-c2nnc3cncc(OCc4c(Cl)cncc4Cl)n23)cc(-c2cscn2)n1,MMPRXCCNCLGHHK-UHFFFAOYSA-N,5,1,0.482,24,980,490.763,5.244,5,0.311,0.63,1.0,0.67500514015489,0.7012884654924268,0.7554228634089507,0.8502501542046467,0.7454916558152286
EOS-5-02109,COc1cc(-c2nnc3cncc(CN(C)Cc4ccc(Cl)cn4)n23)ccc1-c1cnsc1,AQNGKLLUJMREOV-UHFFFAOYSA-N,5,1,0.411,14,257,477.981,4.604,5,0.338,0.59,1.0,0.39683709135768624,0.4069032280172709,0.472354533616613,0.4336491672949078,0.4274360050716195
EOS-5-02110,COc1cc(-c2nnc3cncc(CNC(=O)Cc4cccc(F)c4)n23)ccc1-c1nncs1,BVSPUBXAZNGNMA-UHFFFAOYSA-N,5,1,0.495,14,257,475.509,3.316,5,0.385,0.84,1.0,0.3836697279144678,0.3738091974504832,0.3039459255705572,0.24621341923103282,0.32690956754163525
EOS-5-02111,COc1cc(-c2nnc3cncc(CNC(=O)Cc4cccc(F)c4)n23)ccc1-c1ccsn1,VZYWZRPHSXEUET-UHFFFAOYSA-N,5,1,0.5,14,257,474.521,3.921,5,0.384,0.86,1.0,0.3836782948392845,0.3450671646905627,0.4476817901446097,0.3798917140703173,0.3890797409361936
EOS-5-02112,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)cc1,KPIVUWBUUDBJQR-UHFFFAOYSA-N,5,1,0.627,62,504,450.889,5.236,5,0.404,0.87,1.0,0.28582687958330477,0.4477331916935097,0.9014717976835035,0.8992872318552533,0.6335797752038929
EOS-5-02113,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)cc1,FKLGOMIQJXWSOD-UHFFFAOYSA-N,5,1,0.349,62,3,442.504,3.95,5,0.443,0.85,1.0,0.3904632992940854,0.16090398190665478,0.4929322870262491,0.3158882187649921,0.34004694674799535
EOS-5-02114,COc1cc(-c2nnc3cncc(CNCc4ccc(C#N)c(F)c4)n23)ccc1-c1cnsc1,QKZDQDJRJFJGMV-UHFFFAOYSA-N,5,1,0.355,14,257,471.521,4.224,5,0.379,0.59,1.0,0.3606332670824481,0.3544822150640806,0.8374597354533616,0.7519789596326503,0.576138544308135
EOS-5-02115,CCOc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c(F)c1F,YBIOHPMHAWRCMY-UHFFFAOYSA-N,5,1,0.45,83,504,489.457,5.527,5,0.339,0.84,1.0,0.6015951614008636,0.6716040710026728,0.9330152148584744,0.887199300938935,0.7733534370502364
EOS-5-02116,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)n2)n1,HGUUORYQSIBFNS-UHFFFAOYSA-N,5,1,0.382,68,585,433.329,1.664,4,0.381,0.68,1.0,0.33256802138304437,0.37381776437529984,0.4330580494825577,0.3315742581043109,0.3677545233363032
EOS-5-02117,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)O)c(Cl)c4)n23)c(F)c1,REGVPNSCERQZSP-UHFFFAOYSA-N,5,1,0.4,0,999,451.845,3.841,5,0.477,0.84,1.0,0.36282639983551507,0.22384517853471317,0.5611335754917415,0.617546775409499,0.4413379823178672
EOS-5-02118,O=C(Nc1cccc(F)c1)c1ccc(-c2cncc3nnc(-c4c(F)cccc4F)n23)cc1,TZMMKMUXNPZFDF-UHFFFAOYSA-N,5,1,0.511,83,504,445.404,5.128,5,0.416,0.9,1.0,0.27755979713522033,0.46957028305119597,0.9363991501610582,0.9344544582276746,0.6544959221437873
EOS-5-02119,COc1cc(-c2nnc3cncc(CN(C)CCc4ccc(F)cc4)n23)ccc1-c1cncs1,HRJMRSBOSIEURH-UHFFFAOYSA-N,5,1,0.423,14,257,474.565,4.737,5,0.324,0.75,1.0,0.36750394078541565,0.39252792817490234,0.5445908436707559,0.4712151326159962,0.4439594613117675
EOS-5-02120,COc1cc(-c2nnc3cncc(CN(C)c4ncc(Cl)cn4)n23)ccc1-c1cscn1,XXSZLADRMLSPDG-UHFFFAOYSA-N,5,1,0.4,14,257,464.942,4.003,5,0.372,0.68,1.0,0.3535998218079638,0.2956360084983894,0.15095778219450345,0.11883181413199918,0.22975635665821395
EOS-5-02121,Cc1ccc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)n2)nn1,HTKMKMFWKMWEDC-UHFFFAOYSA-N,5,1,0.39,66,585,432.341,2.269,4,0.389,0.69,1.0,0.335052429579878,0.36913165650058255,0.6211620176821329,0.4833116304571311,0.4521644335549311
EOS-5-02122,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc5ncc(F)cc5n4)n23)c(F)c1F,QRLIMHNCGPHQIJ-UHFFFAOYSA-N,5,1,0.3,22,26,435.369,3.178,5,0.468,0.73,0.739,0.31761017065314234,0.392536495099719,0.7230741553012131,0.715081214447262,0.5370755088753341
EOS-5-02123,COc1cc(-c2nnc3cncc(CNC(=O)CCC(F)(F)F)n23)ccc1-c1cnsn1,RZWZYJTWNXRCHF-UHFFFAOYSA-N,5,1,0.4,5,966,463.445,3.277,4,0.448,0.7,1.0,0.35125248440819684,0.279915701459804,0.4690219998629292,0.34106641080117883,0.3603141491330272
EOS-5-02124,COc1cc(-c2nnc3cncc(CN(C)c4ccc(Cl)cn4)n23)ccc1-c1cscn1,ZNDNOTLJPGNXPV-UHFFFAOYSA-N,5,1,0.406,14,257,463.954,4.608,5,0.363,0.69,1.0,0.3491450209032966,0.2905815228565554,0.39681995750805293,0.30980570214515796,0.3365880508532657
EOS-5-02125,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1Br,YTSZSWJTSFVZOM-UHFFFAOYSA-N,5,1,0.361,0,188,466.314,4.561,5,0.479,0.89,1.0,0.33972140360496195,0.339927009800562,0.6064269069974642,0.6956942635871428,0.4954423959975327
EOS-5-02126,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1ncc(Cl)cn1,JTMYCWYJHAOHTQ-UHFFFAOYSA-N,5,1,0.352,68,585,462.823,3.038,4,0.485,0.69,0.999,0.3222791446782263,0.36408573778356523,0.44769035706942634,0.38959803988760194,0.380913319854705
EOS-5-02127,CCOCc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)n4)n23)cn1,VACAOEOBYJZQGD-UHFFFAOYSA-N,5,1,0.516,90,636,410.865,3.393,4,0.411,0.8,1.0,0.5512816119525735,0.7290367349736139,0.3258686861764101,0.30981426906997467,0.4790003255431431
EOS-5-02128,Cn1cncc1-c1ccc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)cc1F,IOWGNYVDLYZPMO-UHFFFAOYSA-N,5,1,0.448,68,233,419.342,2.509,4,0.514,0.75,1.0,0.4212271263107395,0.42536495099719007,0.8763621410458502,0.7816462202727709,0.6261501096566376
EOS-5-02129,Fc1cc(-c2nnc3cncc(CCC4CCC(F)(F)CC4)n23)ccc1-c1csnn1,CDXUAKMAHGVJNS-UHFFFAOYSA-N,5,1,0.412,78,830,444.486,5.207,5,0.423,0.62,1.0,0.277568364060037,0.46083201973819476,0.27838222191762046,0.6495528065245699,0.41658385306010554
EOS-5-02130,COc1cc(-c2nnc3cncc(CNCCc4ccc(F)cc4)n23)ccc1-c1cscn1,HPBLLZSQNRMEEB-UHFFFAOYSA-N,5,1,0.404,14,257,460.538,4.395,5,0.346,0.82,1.0,0.3536083887327805,0.25424062778425055,0.6031286409430471,0.5289904735796038,0.4349920327599205
EOS-5-02131,COc1cc(-c2nnc3cncc(CN(C)c4cc(F)ccc4F)n23)ccc1-c1nncs1,KDNXKHJFDCRSMY-UHFFFAOYSA-N,5,1,0.396,14,189,465.489,4.233,5,0.371,0.62,1.0,0.32491775752176,0.3738263313001165,0.6211705846069495,0.5055428003563841,0.45636436844630257
EOS-5-02132,CC(C)(C)c1cnc(Cc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)cn1,INYMQIKATDGCFY-UHFFFAOYSA-N,5,1,0.346,85,674,446.515,4.127,5,0.383,0.61,1.0,0.3020269344116236,0.38803029264615174,0.21353060105544514,0.09882804468507984,0.2506039681995751
EOS-5-02133,COCCCCCc1cncc2nnc(-c3ccc(-c4ccc(F)nn4)c(OC)c3)n12,VEGBWVGIHYTWDU-UHFFFAOYSA-N,5,1,0.398,5,743,422.464,3.755,4,0.38,0.69,1.0,0.39258789664861904,0.38336131862106776,0.13569152217120142,0.15082071139743677,0.2656153622095812
EOS-5-02134,COc1cc(-c2nnc3cncc(-c4ccc(C#N)n4C)n23)ccc1-c1cc(F)cnn1,YKDFQKPIMRJHBM-UHFFFAOYSA-N,5,1,0.324,61,697,426.415,3.273,5,0.434,0.64,1.0,0.34216297717771227,0.4253735179220067,0.7230827222260298,0.6349719004866013,0.5313977794530875
EOS-5-02135,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(C)c1F,AJXJVDUPPROLKA-UHFFFAOYSA-N,5,1,0.34,0,862,462.46,3.297,5,0.474,0.84,0.999,0.3350609965046947,0.32107120827907615,0.4258189980124734,0.4145192241792886,0.37411760674388317
EOS-5-02136,Fc1cc(-c2ccc(-c3nnc4cncc(Cl)n34)c(F)c2)cc(-c2nncs2)c1,MJUKHVXVHLFXQX-UHFFFAOYSA-N,5,1,0.554,45,46,426.839,4.908,5,0.41,0.75,1.0,0.2858354465081214,0.580280652456994,0.9058409293400042,0.943004249194709,0.6787403193749572
EOS-5-02137,CC(C)(O)c1cnc(-c2nnc3cncc(OCCc4cc(Cl)ns4)n23)cn1,AKFFYGVGYCJTBK-UHFFFAOYSA-N,5,1,0.437,31,457,417.882,2.54,4,0.509,0.65,0.982,0.43469433212254127,0.4430727845932424,0.16027859639503803,0.09883661160989651,0.2842205811801795
EOS-5-02138,O=C(NCc1cncc2nnc(-c3ccc(-c4nccs4)c(F)c3)n12)C(F)(F)F,XJIGSEXUVULFNW-UHFFFAOYSA-N,5,1,0.457,66,233,422.367,3.232,4,0.511,0.82,1.0,0.3720358440134329,0.43454869440065796,0.8469604550750462,0.7699009663491193,0.6058614899595641
EOS-5-02140,O=C(NCc1cncc2nnc(-c3ccc(-c4ccc(F)nn4)c(CCO)n3)n12)C(F)(F)F,ICZHMAMNENRTGF-UHFFFAOYSA-N,5,1,0.351,66,585,462.367,1.496,4,0.412,0.63,0.785,0.342171544102529,0.2905900897813721,0.5070848468233843,0.4113494619971215,0.3877989856761017
EOS-5-02141,COc1cc(-c2nnc3cncc(CNC(=O)Cc4ccc(Cl)nc4)n23)ccc1-c1cnco1,XYBSDELIBUOKFO-UHFFFAOYSA-N,5,1,0.415,14,257,475.896,3.362,5,0.356,0.79,1.0,0.3968456582825029,0.3107823315742581,0.37846960455075046,0.2909756013981221,0.3442682989514084
EOS-5-02142,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nn4)n23)ccn1,YBGIKAKDROMYGN-UHFFFAOYSA-N,5,1,0.327,54,920,418.367,2.896,5,0.402,0.62,0.98,0.42123569323555615,0.4519738194777603,0.5807004317730108,0.5778048111849771,0.507928688917826
EOS-5-02144,COc1cc(-c2nnc3cncc(CNCc4ccc(Cl)nc4)n23)ccc1-c1nccs1,YXUGTTOZODQPIS-UHFFFAOYSA-N,5,1,0.343,14,257,463.954,4.262,5,0.36,0.8,1.0,0.3445274484271126,0.29059865670618873,0.47922520731958057,0.4113580289219382,0.381427335343705
EOS-5-02145,O=C(NCc1cncc2nnc(-c3ccc(-c4cncs4)nc3F)n12)c1ccc(Cl)nn1,ZFMCWNGOLIWMHM-UHFFFAOYSA-N,5,1,0.416,85,81,467.877,2.822,5,0.391,0.64,1.0,0.32492632444657665,0.3786152422726338,0.12157323007333287,0.16145226509492153,0.2466417654718662
EOS-5-02146,O=C(NCc1cncc2nnc(-c3ccc(-c4ncccn4)c(F)c3)n12)c1ccnc(F)c1,VGLIFWZJKWCRHL-UHFFFAOYSA-N,5,1,0.543,14,325,444.405,2.852,5,0.415,0.83,1.0,0.319940374203276,0.3210797752038928,0.48963402097183195,0.44618257830169283,0.3942091871701734
EOS-5-02147,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)ccc1-c1cnsc1,WMVRILPWWVXYRN-UHFFFAOYSA-N,5,1,0.388,14,291,466.929,5.328,5,0.364,0.8,1.0,0.33506956342951133,0.3350095949557947,0.865405044205332,0.8290984168322939,0.591145654855733
EOS-5-02148,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(OCBr)n12,CTMXYZJAKUOHOL-UHFFFAOYSA-N,5,1,0.513,90,861,407.228,3.18,4,0.484,0.66,1.0,0.7384089507230485,0.8260742923720101,0.4220238503186896,0.4619200191899116,0.612106778150915
EOS-5-02149,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1F,HQGSKKIPEINAPA-UHFFFAOYSA-N,5,1,0.354,0,682,462.46,3.378,5,0.458,0.82,1.0,0.34218011102734563,0.27992426838462064,0.38205914604893426,0.4079226920704544,0.3530215543828387
EOS-5-02150,COc1cc(-c2nnc3cncc(CN(C)c4ncc(F)cn4)n23)ccc1-c1nccs1,WITRBNJZZLWAJQ-UHFFFAOYSA-N,5,1,0.4,14,257,448.487,3.489,5,0.39,0.67,1.0,0.327445000342677,0.29060722363100544,0.1156877527242821,0.06714755671304229,0.2002218833527517
EOS-5-02151,Cc1ccnc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)nc2)n1,PKGCSMVGEWLTIF-UHFFFAOYSA-N,5,1,0.34,85,920,414.404,3.065,5,0.404,0.76,1.0,0.49482557741073263,0.49173291755191556,0.3593139606606812,0.30012507710232333,0.4114993831814132
EOS-5-02152,CCc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5(OC)CC5)n34)c(F)c2)cs1,NSFXWJRNCLMBGB-UHFFFAOYSA-N,5,1,0.39,78,753,452.515,3.412,5,0.462,0.78,1.0,0.32745356726749364,0.2906157905558221,0.02776540333082037,0.09087793845521212,0.18417817490233704
EOS-5-02153,O=C(NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12)C(F)(F)F,UGFWSVSIHHOBBL-UHFFFAOYSA-N,5,1,0.406,68,585,439.81,3.142,4,0.49,0.67,1.0,0.2943338359262559,0.40691179494208757,0.6837177026934411,0.6289407854156672,0.503476029744363
EOS-5-02155,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1F,ALUVRQHYFSLENU-UHFFFAOYSA-N,5,1,0.406,0,999,434.406,2.728,5,0.501,0.82,1.0,0.35361695565759715,0.2644438352409019,0.46185148379137825,0.5086611609896512,0.3971433589198821
EOS-5-02156,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(Cl)ccn4)n23)cc1,KBTIRNFZERMBKL-UHFFFAOYSA-N,5,1,0.593,90,636,408.849,2.821,4,0.527,0.89,1.0,0.7384175176478651,0.5903467891165787,0.39308477828798577,0.32812178740319375,0.5124927181139058
EOS-5-02157,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CCc6ccc(F)cc65)nc4)n23)cn1,FTUVCCPICSGQAL-UHFFFAOYSA-N,5,1,0.472,82,204,465.492,4.113,6,0.429,0.71,1.0,0.332576588307861,0.32108834212870946,0.577753409636077,0.5325114796792544,0.4409824549379755
EOS-5-02158,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)cc4)n23)cc1,SPFKXAUIVCPUOO-UHFFFAOYSA-N,5,1,0.354,14,416,449.44,4.286,5,0.419,0.82,1.0,0.3445360153519293,0.23362860667534782,0.9755242957987801,0.9396374477417586,0.6233315913919539
EOS-5-02160,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ncc1-c1cscn1,GDQXGPFUJPDXBK-UHFFFAOYSA-N,5,1,0.488,18,840,431.481,3.335,5,0.387,0.59,1.0,0.40117195531492017,0.15705743266397093,0.2491690082927832,0.17469673086148996,0.24552378178329107
EOS-5-02161,COc1cc(-c2nnc3cncc(CNCCc4cccc(F)c4)n23)ccc1-c1cscn1,FRLXRJABHCIWGO-UHFFFAOYSA-N,5,1,0.462,14,257,460.538,4.395,5,0.346,0.87,1.0,0.34454458227674595,0.2542491947090672,0.5903039544924954,0.5188386676718525,0.42698409978754026
EOS-5-02162,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)CCC4)n23)ccc1-c1cscn1,FASJBKRTKIDKEK-UHFFFAOYSA-N,5,1,0.412,5,966,438.488,3.432,5,0.496,0.75,1.0,0.3445531492015626,0.25930368035090123,0.031063669385237476,0.09667774655609622,0.18289956137344937
EOS-5-02163,COc1cc(-c2nnc3cncc(CNCc4cnc(Cl)nc4)n23)ccc1-c1nccs1,GSULSYPFORTECO-UHFFFAOYSA-N,5,1,0.351,60,257,464.942,3.657,5,0.364,0.8,1.0,0.3421886779521623,0.29062435748063875,0.29656123637858955,0.23460523610444795,0.29099487697895965
EOS-5-02164,COc1cc(-c2nnc3cncc(CNCCc4ccc(F)cn4)n23)ccc1-c1cncs1,TVHTUFGJAXSWCP-UHFFFAOYSA-N,5,1,0.362,14,41,461.526,3.79,5,0.352,0.68,1.0,0.3512610513330135,0.23363717360016448,0.3968285244328696,0.32490919059694334,0.32665898499074775
EOS-5-02165,COc1ccc(-c2nnc3cncc(OCc4cccc(C)n4)n23)cc1-c1nccs1,ZZUHDPUQUVICCD-UHFFFAOYSA-N,5,1,0.552,4,61,430.493,4.206,5,0.399,0.75,1.0,0.36064183400726474,0.2747412788705366,0.37064800219313276,0.22276574600781304,0.3071992152696868
EOS-5-02166,COc1cc(-c2nnc3cncc(CNc4ccc(F)cc4F)n23)ccc1-c1cccnc1,WLPAGJTUJXBTPD-UHFFFAOYSA-N,5,1,0.379,14,291,444.445,4.752,5,0.407,0.82,1.0,0.32746213419231035,0.2906329244054554,0.8885271742855184,0.8370827907614283,0.5859262559111782
EOS-5-02167,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4ccc(F)c(Cl)c4)n23)cc1,QBSFTSMMVLSOCE-UHFFFAOYSA-N,5,1,0.511,83,504,478.314,6.157,5,0.336,0.9,1.0,0.3325851552326777,0.5561647590980742,0.9557604002467275,0.9665804262901789,0.7027726852169145
EOS-5-02168,Clc1ccc(-c2nnc3cncc(OCCCc4cccc(Cl)c4)n23)cc1,UTIQIPRJPQCROC-UHFFFAOYSA-N,5,1,0.718,48,231,399.281,5.11,4,0.423,0.87,1.0,0.9963590569529162,0.9969159070659996,0.8565125762456308,0.9301195942704407,0.9449767836337468
EOS-5-02169,COc1cc(-c2nnc3cncc(CNC(=O)Cc4ccnc(F)c4)n23)ccc1-c1cncs1,XUQJHGIWOBZMRD-UHFFFAOYSA-N,5,1,0.415,14,257,475.509,3.316,5,0.36,0.75,1.0,0.37906072236310057,0.32109690905352617,0.35932252758549793,0.25541429648413405,0.3287236138715647
EOS-5-02170,O=C(CC1CC1)NCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(F)c3)n12,WNMDERZKPGPIEZ-UHFFFAOYSA-N,5,1,0.429,78,753,437.866,3.457,5,0.496,0.93,1.0,0.327470701117127,0.30060482489205675,0.08536083887327804,0.2761205537660201,0.24738922966212046
EOS-5-02171,COc1cc(-c2nnc3cncc(CNCC4CC4COC(F)F)n23)ccc1-c1cscn1,VMBRTXWXPYZRKA-UHFFFAOYSA-N,5,1,0.379,5,743,472.521,3.888,5,0.375,0.53,0.993,0.3720444109382496,0.2799328353094373,0.7206925502021794,0.6665838530601056,0.5098134123774929
EOS-5-02172,COc1cc(-c2nnc3cncc(CNCC(F)(F)F)n23)ccc1-c1nccs1,HJIHJKDEFDJBNO-UHFFFAOYSA-N,5,1,0.391,66,947,420.42,3.575,4,0.514,0.86,1.0,0.4188112535124392,0.33006647933657735,0.8342043040230279,0.6551470084298541,0.5595572613254747
EOS-5-02173,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cncc(Cl)c4)n23)cc1,BKTCKOSUGJPGGE-UHFFFAOYSA-N,5,1,0.667,90,636,408.849,2.821,4,0.527,0.85,1.0,0.7506939209101501,0.5420807346994723,0.44769892399424305,0.3701082859296827,0.5276454663833869
EOS-5-02174,COc1cc(-c2nnc3cncc(CNCc4cccc(Cl)c4F)n23)ccc1-c1cnsc1,QKGTZWFONIDMSF-UHFFFAOYSA-N,5,1,0.392,14,257,480.956,5.006,5,0.353,0.64,1.0,0.4052412446028374,0.42983688575149065,0.8536512233568638,0.8269995202522102,0.6289322184908506
EOS-5-02175,COc1cc(-c2nnc3cncc(CNCc4ccc(Cl)nc4)n23)ccc1-c1cncs1,AUWSNWVYPSNDFQ-UHFFFAOYSA-N,5,1,0.362,60,41,463.954,4.262,5,0.36,0.78,1.0,0.33259372215749433,0.29064149133027206,0.5611421424165581,0.49239257076279896,0.41919248166678086
EOS-5-02176,c1cnc(-c2cccc(COc3cncc4nnc(-c5cncc(-c6nccs6)c5)n34)n2)nc1,BQEBIUGIFBWRMN-UHFFFAOYSA-N,5,1,0.462,28,414,465.502,3.741,6,0.362,0.66,1.0,0.32747926804194366,0.3211054759783428,0.16970221369337263,0.1481306970050031,0.24160441367966556
EOS-5-02177,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(Cl)c1,ZFSPKWDFQMXVRJ-UHFFFAOYSA-N,5,1,0.388,0,188,464.888,3.503,5,0.47,0.82,1.0,0.29948255774107324,0.39254506202453565,0.4477074909190597,0.5055513672812008,0.4113216194914673
EOS-5-02178,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(F)c3)n12,OAZLTLYGPDPIEC-UHFFFAOYSA-N,5,1,0.429,78,753,427.827,2.303,4,0.503,0.86,1.0,0.36751250771023236,0.2747498457953533,0.25615105201836746,0.27017510794325267,0.2921471283668014
EOS-5-02179,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5(O)CC5)n34)c(F)c2)cs1,NHQAFFMFGFLRKL-UHFFFAOYSA-N,5,1,0.392,78,753,424.461,2.503,5,0.51,0.77,1.0,0.38368686176410116,0.3055822082105407,0.05012507710232335,0.13855287505996847,0.21948675553423344
EOS-5-02180,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5ncsn5)cc4Cl)n23)CC1,HRULZTWSFFGXGV-UHFFFAOYSA-N,5,1,0.414,78,753,441.904,2.758,5,0.49,0.72,1.0,0.31994894112809263,0.3006133918168734,0.02139161126721952,0.12115345075731615,0.19077684874237544
EOS-5-02181,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)cc1,VPIAYLQNXITASU-UHFFFAOYSA-N,5,1,0.366,0,938,422.395,2.456,4,0.526,0.9,1.0,0.3836954286889178,0.3640943047083819,0.6267219518881503,0.4588187924062778,0.45833261942293196
EOS-5-02182,Cn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4cccnc4F)n23)c1,VCBYATDUPFTBNZ-UHFFFAOYSA-N,5,1,0.412,31,466,417.408,2.137,5,0.387,0.67,0.998,0.46763415804262903,0.33993557672537866,0.26716811733260226,0.24349770406414914,0.32955888904118974
EOS-5-02183,O=C(NCc1cncc2nnc(-c3ccc(-c4nncs4)cc3F)n12)C(F)(F)F,IFMJGYHUPAKPJX-UHFFFAOYSA-N,5,1,0.423,68,233,423.355,2.627,4,0.507,0.74,1.0,0.36518230416009867,0.38336988554588447,0.7670738811596189,0.6814217668425742,0.549261959427044
EOS-5-02184,COc1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1-c1cnco1,PQFVVYNIKLJNIT-UHFFFAOYSA-N,5,1,0.642,15,103,414.425,3.471,5,0.399,0.67,1.0,0.5812230141868275,0.279941402234254,0.42203241724350626,0.28778870536632173,0.3927463847577274
EOS-5-02185,COc1cc(-c2nnc3cncc(OCCc4nccn4C)n23)ccc1-c1cnc(C)nn1,BDISDSGJMWYVEB-UHFFFAOYSA-N,5,1,0.467,15,771,443.471,2.315,5,0.373,0.68,1.0,0.3767904872866836,0.13440648344870126,0.08275649372901103,0.03792577616338839,0.15796981015694608
EOS-5-02186,Fc1cnc(-c2ccc(-c3nnc4cncc(CNCC5(F)CCOC5)n34)cc2F)nc1,SNODMYGTZGLPDE-UHFFFAOYSA-N,5,1,0.374,78,75,441.417,2.745,5,0.492,0.58,1.0,0.31513432938112534,0.30559077513535743,0.35575011993694744,0.532520046604071,0.37724881776437535
EOS-5-02187,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(F)cn5)cn4)n23)c(F)c1F,DCSMEEOEQJVUCO-UHFFFAOYSA-N,5,1,0.37,50,845,463.383,2.482,5,0.431,0.66,0.986,0.29949112466588995,0.37383489822493315,0.5445994105955726,0.48925707627989856,0.4267956274415736
EOS-5-02188,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4cccc(-c5nccs5)n4)n23)cc1,PMWAFZFQAVVXLM-UHFFFAOYSA-N,5,1,0.371,14,416,467.48,4.618,5,0.393,0.71,1.0,0.3274878349667603,0.330075046261394,0.8815622644095675,0.7956274415735728,0.5836881468028237
EOS-5-02189,Fc1cc(F)c(F)c(-c2nnc3cncc(CNCc4ccc(-n5ncnn5)cc4)n23)c1,NLUHBRPJMZRYAY-UHFFFAOYSA-N,5,1,0.298,22,291,437.389,2.474,5,0.408,0.67,1.0,0.30718422315125765,0.34507573161537936,0.6973562470015763,0.7012113631690768,0.5127068912343226
EOS-5-02190,c1cnnc(-c2cncc(-c3nnc4cncc(OCc5cccc(-c6cncnc6)n5)n34)c2)c1,NECBGFOCJCHPDQ-UHFFFAOYSA-N,5,1,0.427,6,280,460.461,3.074,6,0.365,0.62,1.0,0.33017784935919403,0.26967822630388594,0.3222534439037763,0.28203173188952096,0.3010353128640943
EOS-5-02191,Cc1nc(-c2ccc(-c3nnc4cncc(COCC5CCCC5)n34)cc2F)cs1,DVSUNAVYRFAEPI-UHFFFAOYSA-N,5,1,0.427,78,830,423.517,5.069,5,0.433,0.75,1.0,0.38134809128915087,0.33008361318621066,0.06750736755534234,0.2877972722911384,0.26668408608046057
EOS-5-02192,COc1cc(-c2nnc3cncc(CNc4cccc(F)c4)n23)ccc1-c1cscn1,WWPYBYZXTAHFKP-UHFFFAOYSA-N,5,1,0.404,14,257,432.484,4.675,5,0.42,0.84,1.0,0.3469347543005963,0.2644524021657186,0.6758361318621068,0.5811202110890274,0.46708587485436226
EOS-5-02193,COc1cc(-c2nnc3cncc(CNC(=O)C(C)(O)CF)n23)ccc1-c1cscn1,ZBYKOOJATRFZON-UHFFFAOYSA-N,5,1,0.404,5,966,442.476,2.26,4,0.451,0.65,1.0,0.35126961825783015,0.19017716400520868,0.2632873003906518,0.12767288054280035,0.23310174079912274
EOS-5-02194,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)CC1,WCBYQDKSVNCBAX-UHFFFAOYSA-N,5,1,0.392,78,753,424.461,2.849,5,0.512,0.69,1.0,0.37679905421150023,0.31079089849907476,0.061630457131108214,0.1965595229936262,0.23644498320882737
EOS-5-02195,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1ncc(F)cn1,XHAYZFGAPUJULT-UHFFFAOYSA-N,5,1,0.43,5,966,419.42,2.422,5,0.511,0.85,1.0,0.4418220135700089,0.2956445754232061,0.046741141799739566,0.07846446439586047,0.21566804879720375
EOS-5-02196,O=C(NCc1cncc2nnc(-c3ccc(-c4cccnn4)cc3F)n12)C(F)(F)F,XJCUIYMYAPZILQ-UHFFFAOYSA-N,5,1,0.418,66,233,417.326,2.566,4,0.513,0.83,1.0,0.4165410184360222,0.4695788499760126,0.8596309368788979,0.7933143718730724,0.6347662942910013
EOS-5-02197,Brc1ccc(-c2nnc3cncc(-c4ncc(-c5ccccc5)nn4)n23)cc1,TVJYSKJNHFGUSN-UHFFFAOYSA-N,5,1,0.476,3,298,430.269,4.073,5,0.429,0.88,1.0,0.2831368651908711,0.4695874169008293,0.4220409841683229,0.5684411623603591,0.4358016071550956
EOS-5-02198,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-n5nccn5)nn4)n23)cc1,UNGINOGUVMXRJX-UHFFFAOYSA-N,5,1,0.586,36,482,428.416,0.882,5,0.398,0.67,1.0,0.41654958536083886,0.13094544582276746,0.033616612980604484,0.01767356589678569,0.14969630251524912
EOS-5-02199,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)c(C)c1F,IMLXQXYYZISJPM-UHFFFAOYSA-N,5,1,0.337,0,862,444.47,3.158,5,0.492,0.9,1.0,0.315142896305942,0.29565314234802276,0.282185936536221,0.2522102666027003,0.2862980604482215
EOS-5-02200,COc1cc(-c2nnc3cncc(CNC(=O)c4cnc(C)cn4)n23)ccc1-c1cscn1,SSMUDQZBSQUJGH-UHFFFAOYSA-N,5,1,0.426,85,257,458.507,2.952,5,0.412,0.83,1.0,0.3536255225824138,0.1815759714892742,0.10479919128229731,0.046886779521622915,0.17172186621890206
EOS-5-02201,COc1cc(-c2nnc3cncc(CNCc4ccc(Cl)nc4)n23)ccc1-c1ccsn1,JNATWAKBUCARBY-UHFFFAOYSA-N,5,1,0.343,14,257,463.954,4.262,5,0.36,0.71,1.0,0.332602289082311,0.26968679322870265,0.5309437324378041,0.47122369954081283,0.40111412857240764
EOS-5-02202,Clc1cccc(COc2cncc3nnc(-c4cc(-c5cccnn5)ncn4)n23)n1,CGPUCBZBCNAVJR-UHFFFAOYSA-N,5,1,0.415,53,395,417.82,2.666,5,0.397,0.6,0.887,0.41881982043725585,0.4298454526763073,0.23493077924748132,0.2820402988143376,0.3414090877938455
EOS-5-02203,Cn1ccnc1-c1cncc(-c2nnc3cncc(OCc4cc(Cl)ncn4)n23)c1,XIQWHNALXNFHEN-UHFFFAOYSA-N,5,1,0.455,2,184,419.836,2.609,5,0.4,0.6,1.0,0.3859656637653348,0.4345572613254746,0.267176684257419,0.2613426084572682,0.33726055445137415
EOS-5-02204,Cc1ccnc(-c2ccc(-c3nnc4cncc(CNC5CCC(F)(CO)C5)n34)c(F)c2)n1,BVQYPDGNFHAKQJ-UHFFFAOYSA-N,5,1,0.337,78,830,451.481,3.039,5,0.465,0.55,1.0,0.3249348913713933,0.2493317798642999,0.3518693029949969,0.5156860393393188,0.3604555033925022
EOS-5-02205,COc1cc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c(OC)nn1,HHBRQZNTZIBJBT-UHFFFAOYSA-N,5,1,0.391,92,875,443.427,2.029,5,0.365,0.66,1.0,0.3606504009320814,0.1647333972997053,0.11862620793639915,0.05339764238229045,0.17435191213761908
EOS-5-02206,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5csnn5)c4)n23)n1,AOFBYXCOIDROLX-UHFFFAOYSA-N,5,1,0.529,24,486,422.861,3.332,5,0.397,0.7,1.0,0.34456171612637926,0.4477417586183264,0.28219450346103764,0.34422760605852926,0.35468139606606813
EOS-5-02207,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCC(F)(F)F)n34)cc2F)n1,WHHASVXXHZQYLC-UHFFFAOYSA-N,5,1,0.348,68,233,418.358,2.743,4,0.498,0.67,1.0,0.3948238640257693,0.4739137139332465,0.8143890069220753,0.7229113837296964,0.6015094921526969
EOS-5-02208,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(OCCc3ccco3)n12,OIUWFXLFNGIYDH-UHFFFAOYSA-N,5,1,0.617,87,143,408.418,3.663,5,0.396,0.62,1.0,0.7082276745939278,0.6523798917140703,0.3930933452128024,0.379900280995134,0.5334002981289837
EOS-5-02209,COc1ncc(F)c(COc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1F,NSUVPIDGEQTWLT-UHFFFAOYSA-N,5,1,0.488,90,555,404.764,3.101,4,0.472,0.64,1.0,0.8675724761839491,0.912805839215955,0.7510108971283668,0.7012199300938935,0.8081522856555411
EOS-5-02211,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)CC1,SIXFHTIAUGYHAY-UHFFFAOYSA-N,5,1,0.388,78,753,425.449,2.244,5,0.505,0.71,1.0,0.3651908710849154,0.31596532108834213,0.024390034953053252,0.09884517853471318,0.201097851415256
EOS-5-02212,COc1cc(-c2nnc3cncc(CNC(=O)c4cccnc4)n23)ccc1-c1cccnc1,MIFVJNZHDIUSKI-UHFFFAOYSA-N,5,1,0.505,14,257,437.463,3.187,5,0.435,0.82,1.0,0.35595572613254745,0.18587656774724146,0.3931019121376191,0.2701836748680694,0.30127947022136936
EOS-5-02213,COc1cc(-c2nnc3cncc(CNC(C)Cc4ccc(F)cn4)n23)ccc1-c1ccsn1,UKJLDKIJQQYFPZ-UHFFFAOYSA-N,5,1,0.34,14,257,475.553,4.178,5,0.36,0.6,1.0,0.37448598451099996,0.3107994654238914,0.5446079775203893,0.41136659584675483,0.41031500582550884
EOS-5-02214,COc1cc(-c2nnc3cncc(CNC(=O)c4ccc(C#N)cn4)n23)ccc1-c1ccsn1,DKXYFJXBDLCANM-UHFFFAOYSA-N,5,1,0.433,14,257,468.502,3.12,5,0.402,0.76,1.0,0.35127818518264686,0.24934034678911657,0.3039544924953739,0.20547769172777738,0.27751267904872867
EOS-5-02215,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5n[nH]c(C)n5)cc4F)n23)CC1,YXVSHHZOTIPBER-UHFFFAOYSA-N,5,1,0.39,78,753,422.424,1.819,5,0.486,0.67,1.0,0.38829586731546845,0.3159738880131588,0.017091015009252277,0.05481975190185731,0.1940451305599342
EOS-5-02216,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4nccc(COC)n4)cc3F)n12,ZHZONKRCKBYBDX-UHFFFAOYSA-N,5,1,0.383,78,753,437.435,1.796,4,0.444,0.86,1.0,0.34219724487697895,0.21849941744911247,0.14776231923788638,0.0889161126721952,0.19934377355904326
EOS-5-02217,N#Cc1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)c(F)c1,GGWZMURKZGMQBK-UHFFFAOYSA-N,5,1,0.444,48,678,410.359,4.016,4,0.517,0.83,1.0,0.5100661366595847,0.7905215543828388,0.9712236995408128,0.957448084435611,0.8073148687547118
EOS-5-02218,COCCNCc1ccc(Cc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cn1,AXZCQXQQJVMGAJ-UHFFFAOYSA-N,5,1,0.357,66,264,442.445,3.532,4,0.421,0.78,1.0,0.335078130354328,0.21850798437392913,0.9231632513193064,0.8191607840449592,0.5739775375231307
EOS-5-02219,Cc1cnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)n2)s1,LGHCTNLEMDZCCR-UHFFFAOYSA-N,5,1,0.408,68,585,437.382,2.936,4,0.39,0.66,1.0,0.2943424028510726,0.3594338976081146,0.567927146871359,0.4428671783976424,0.4161426564320471
EOS-5-02220,CNC(=O)c1cc(-c2nnc3cncc(OCCc4ccccn4)n23)ccc1Cl,HYBSGJQJJNEKJI-UHFFFAOYSA-N,5,1,0.631,90,636,408.849,2.821,4,0.527,0.85,0.999,0.7051350147351106,0.5855321773696114,0.35187786991981357,0.3218936330614762,0.49110967377150294
EOS-5-02221,O=C(Nc1ccc(F)cc1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1,IETNEZCEZYZHRK-UHFFFAOYSA-N,5,1,0.471,83,504,443.869,5.503,5,0.398,0.88,1.0,0.22381091083544652,0.5515900212459736,0.9164125145637722,0.9228205743266397,0.653658505242958
EOS-5-02222,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ncc1-c1ncsn1,HLPQASRCIDNNSY-UHFFFAOYSA-N,5,1,0.483,65,116,432.469,2.73,5,0.383,0.54,1.0,0.38370399561373447,0.14542354876293606,0.11274073058734836,0.08177986429991091,0.18091203481598245
EOS-5-02224,Clc1ccc(-c2nnc3cncc(-c4nccc(-c5ncccn5)n4)n23)cc1-c1cccnn1,LRZNJOGRKTXKHT-UHFFFAOYSA-N,5,1,0.313,10,557,464.88,3.816,6,0.383,0.68,1.0,0.2724710437941197,0.4345658282502913,0.2965698033034062,0.3986618463436365,0.3505671304228634
EOS-5-02225,COc1cc(-c2nnc3cncc(CNC(=O)CCC(F)(F)F)n23)ccc1-c1ccsn1,GKJVFDGNVUMYMZ-UHFFFAOYSA-N,5,1,0.408,5,966,462.457,3.882,4,0.448,0.73,1.0,0.31995750805290935,0.27994996915907067,0.5713539167980262,0.4303337673908574,0.4003987903502159
EOS-5-02226,COc1ccc(-c2nnc3cncc(OCCc4cccnc4)n23)cc1-c1cncn1C,PCZXOALBDAVOTA-UHFFFAOYSA-N,5,1,0.576,15,604,427.468,3.217,5,0.394,0.73,1.0,0.40327941881982043,0.15329655266945377,0.455023644712494,0.2969638818449729,0.3271408745116853
EOS-5-02227,CCc1cc(COc2cncc3nnc(-c4ccnc(-c5cnc(C)cn5)c4)n23)ccn1,NBKQVZTUHGTFRU-UHFFFAOYSA-N,5,1,0.483,75,99,424.468,3.488,5,0.408,0.73,1.0,0.3813566582139675,0.27475841272017,0.26718525118223563,0.16146083201973818,0.2711902885340278
EOS-5-02229,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(F)c1,OTICJJRCFBKDOH-UHFFFAOYSA-N,5,1,0.413,0,999,434.406,2.728,5,0.501,0.89,1.0,0.3301864162840107,0.26446096909053524,0.4652782537180454,0.4985093550818998,0.38960874854362276
EOS-5-02230,CCn1cc(CCOc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)c(C)n1,HGESMTGLBBVVAQ-UHFFFAOYSA-N,5,1,0.478,58,271,450.503,3.595,5,0.35,0.66,1.0,0.27247961071893634,0.3833784524707011,0.0634980467411418,0.05482831882667398,0.1935461071893633
EOS-5-02231,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(OCCc3ccno3)n12,UULSHVIYHABACX-UHFFFAOYSA-N,5,1,0.531,58,28,409.406,3.058,5,0.394,0.62,1.0,0.629643273250634,0.632607429237201,0.2030018504557604,0.20833904461654446,0.41839789939003497
EOS-5-02232,COc1cc(-c2nnc3cncc(CNC(=O)c4cccnc4)n23)ccc1-c1ccsc1,AVWGLYRIEANNED-UHFFFAOYSA-N,5,1,0.49,14,257,442.504,3.853,5,0.429,0.82,1.0,0.3326108560071277,0.20859605236104448,0.4005722705777534,0.2820488657391543,0.30595701117126994
EOS-5-02233,OCC#Cc1cccnc1CCOc1cncc2nnc(-c3ccc(Cl)nc3)n12,NINZQTYRHQZZRD-UHFFFAOYSA-N,5,1,0.511,90,636,406.833,2.2,4,0.4,0.57,0.998,0.7051435816599273,0.8596909053526146,0.5411298060448222,0.5156946062641354,0.655414724830375
EOS-5-02234,CCc1nc(-c2nnc3cncc(CCc4nncs4)n23)ccc1-c1ncc(F)cn1,HGXLPQRXGHLJTH-UHFFFAOYSA-N,5,1,0.304,85,580,433.476,2.982,5,0.402,0.61,1.0,0.322287711603043,0.2906500582550888,0.01493214995545199,0.02591494757042012,0.16344621684600097
EOS-5-02235,COc1cc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)ccc1-c1ccsn1,NQCZCWLHXJRYMG-UHFFFAOYSA-N,5,1,0.523,15,777,433.497,3.278,5,0.389,0.65,1.0,0.3422058118017956,0.23364574052498116,0.2746984442464533,0.16923959975327257,0.25494739908162567
EOS-5-02236,O=C(NCc1cncc2nnc(-c3ccc(-c4cscn4)cc3F)n12)c1ccno1,XVMLITXJIQKVJA-UHFFFAOYSA-N,5,1,0.5,14,0,421.417,2.972,5,0.464,0.72,1.0,0.36982557741073263,0.39255362894935236,0.2384774861215818,0.23461380302926463,0.3088676238777328
EOS-5-02237,COc1cc(-c2nnc3cncc(CNC4CCC(F)(CO)C4)n23)ccc1-c1cscn1,LEJFRPLBRSJTEG-UHFFFAOYSA-N,5,1,0.379,5,743,454.531,3.266,5,0.442,0.58,1.0,0.34915358782811323,0.16091254883147146,0.29657837022822287,0.40162600233020357,0.30206762730450276
EOS-5-02238,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)CCCO4)n23)ccc1-c1cscn1,CRNAMQQMXIZDFA-UHFFFAOYSA-N,5,1,0.389,5,966,454.487,3.016,5,0.478,0.58,1.0,0.35363408950723046,0.14939003495305325,0.09239428414776232,0.1319991775752176,0.18185439654581592
EOS-5-02239,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5nccs5)cc4F)n23)CC1,XAFSNIHBXVZCGW-UHFFFAOYSA-N,5,1,0.392,78,753,424.461,2.849,5,0.512,0.72,1.0,0.36519943800973204,0.3055993420601741,0.04491638681378932,0.15327085189500378,0.2172465046946748
EOS-5-02240,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)cc1,XVBREAIBZHLNTN-UHFFFAOYSA-N,5,1,0.5,83,504,478.314,6.157,5,0.336,0.86,1.0,0.29435096977588926,0.6091768898636145,0.9469878692344595,0.9629223493934618,0.7033595195668563
EOS-5-02241,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(C)(C)O)n34)cc2F)n1,MINGGPMJIKJGRP-UHFFFAOYSA-N,5,1,0.42,78,753,422.424,1.478,4,0.494,0.68,0.999,0.38597423069015147,0.30560790898499074,0.1357000890960181,0.05928311973134124,0.2216413371256254
EOS-5-02242,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1cnc(CO)cn1,CTYHEUFZVRJYNV-UHFFFAOYSA-N,5,1,0.326,68,585,458.404,1.876,4,0.448,0.63,0.957,0.30989993831814133,0.27476697964498664,0.3894524021657186,0.2462219861558495,0.305085326571174
EOS-5-02243,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)n2)cs1,BGUOVBAUBZAMFA-UHFFFAOYSA-N,5,1,0.402,66,585,437.382,2.936,4,0.39,0.73,1.0,0.2943595367007059,0.3399441436501953,0.6182578301692825,0.48332019738194776,0.4339704269755329
EOS-5-02244,Cc1nc(-c2nnc3cncc(COc4ccnc(F)c4)n23)ccc1-c1nccn1C,WLIRILGIKWEZTO-UHFFFAOYSA-N,5,1,0.321,85,920,416.42,3.008,5,0.406,0.67,1.0,0.44412651634569256,0.402311356315537,0.2893478856829552,0.23462236995408128,0.3426020320745665
EOS-5-02245,COc1cc(-c2nnc3cncc(CCNC(=O)c4ccncc4)n23)ccc1-c1cnc(F)cn1,VBANLJIBWXEQEZ-UHFFFAOYSA-N,5,1,0.378,14,257,470.468,2.764,5,0.386,0.78,1.0,0.3536426564320472,0.23365430744979782,0.30396305942019053,0.19396374477417586,0.27130594201905284
EOS-5-02246,COc1cc(-c2nnc3cncc(CNCc4cnncc4Cl)n23)ccc1-c1nccs1,PCHDGAAJLZLGIY-UHFFFAOYSA-N,5,1,0.343,60,257,464.942,3.657,5,0.389,0.71,1.0,0.317618737577959,0.2906586251799054,0.3518864368446303,0.31880097320265915,0.31974119320128846
EOS-5-02247,c1cc(COc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)nc(-c2cncnn2)c1,SAZGJUAXIRUMQF-UHFFFAOYSA-N,5,1,0.438,6,843,466.49,3.136,6,0.361,0.58,1.0,0.32494345829621,0.2747755465698033,0.20301041738057707,0.18303234870810775,0.24644044273867455
EOS-5-02249,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)CC4)n23)ccc1-c1cscn1,SBHINTDOCNFSDJ-UHFFFAOYSA-N,5,1,0.416,5,966,424.461,3.042,5,0.511,0.71,1.0,0.3628349667603317,0.3056164759098074,0.06350661366595847,0.13200774450003427,0.21599145020903296
EOS-5-02253,Fc1cc(-c2nnc3cncc(CC4CCOCC4)n23)ccc1-c1ncc(Cl)nn1,JWWLOQAYMIVJIS-UHFFFAOYSA-N,5,1,0.429,78,75,425.855,3.405,5,0.494,0.74,1.0,0.319966074977726,0.397359673771503,0.06970906723322597,0.31273559043245835,0.27494260160372835
EOS-5-02254,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1F,BTDKYQNANIZTIT-UHFFFAOYSA-N,5,1,0.324,0,188,480.45,3.518,5,0.44,0.79,1.0,0.3790692892879172,0.4209015831677061,0.5104088136522514,0.535612706462888,0.4614980981426907
EOS-5-02255,COc1cc(-c2nnc3cncc(CNc4cc(F)cc(Cl)c4)n23)ccc1-c1ccsn1,VKYYZWHMFJVSED-UHFFFAOYSA-N,5,1,0.374,14,291,466.929,5.328,5,0.364,0.75,1.0,0.309908505242958,0.31598245493797544,0.8003992186964567,0.769909533273936,0.5490499280378315
EOS-5-02256,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)cc1F,WWFAZNOFGZCOGS-UHFFFAOYSA-N,5,1,0.387,0,682,422.395,2.585,4,0.513,0.85,1.0,0.3837125625385512,0.2956617092728394,0.5679357137961757,0.4712322664656295,0.4296355630182989
EOS-5-02257,O=C(CCCC(F)(F)F)NCc1cncc2nnc(-c3ccc(-c4nccs4)c(F)c3)n12,JHABMGZOYRPJKM-UHFFFAOYSA-N,5,1,0.426,78,233,464.448,4.403,4,0.41,0.86,1.0,0.29693818107052294,0.33501816188061134,0.5871341923103283,0.5778133781097937,0.4492259783428141
EOS-5-02258,COc1cc(-c2nnc3cncc(CNCC4CC4CC(F)(F)F)n23)ccc1-c1cnsc1,DPXYHORIAMMOCY-UHFFFAOYSA-N,5,1,0.371,5,75,474.512,4.602,5,0.402,0.45,0.97,0.3512867521074635,0.31080803234870813,0.885211774381468,0.8331677061202111,0.5951185662394627
EOS-5-02259,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)cc1,LPKLYUYMXJIORM-UHFFFAOYSA-N,5,1,0.545,62,504,466.476,4.209,5,0.404,0.91,1.0,0.3047426495785073,0.32564594613117676,0.6890720307038586,0.5455075046261394,0.4662420327599205
EOS-5-02260,N#Cc1cc(F)c(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)n23)c(F)c1,SDBJNKKZFIEDRX-UHFFFAOYSA-N,5,1,0.441,83,504,470.414,5.0,5,0.399,0.87,1.0,0.26443526831608527,0.48732951819614834,0.9611147282571448,0.9528476458090603,0.6664317901446097
EOS-5-02262,CCOC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1F,SWGHHPGEYMZSCY-UHFFFAOYSA-N,5,1,0.327,0,188,481.434,3.945,5,0.419,0.76,1.0,0.39483243095058596,0.4164810499623055,0.5935508189980124,0.5991707216777465,0.5010087553971626
EOS-5-02263,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(C)(F)F)n34)cc2F)n1,IZJYZWRMJVQYAI-UHFFFAOYSA-N,5,1,0.439,78,233,428.378,2.362,4,0.519,0.66,1.0,0.30991707216777464,0.37384346514974987,0.47236310054142966,0.36035055856349807,0.37911854910561305
EOS-5-02264,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(C)c1,PDLIABHLKVEUOO-UHFFFAOYSA-N,5,1,0.356,0,862,444.47,3.158,5,0.492,0.87,1.0,0.304751216503324,0.26446953601535195,0.3001936125008567,0.27293365773421974,0.2855870056884381
EOS-5-02265,COCCCCc1cncc2nnc(-c3ccc(-c4cnc(Cl)cn4)c(OC)c3)n12,VJEZXXWTZNLOGN-UHFFFAOYSA-N,5,1,0.402,5,743,424.892,3.879,4,0.396,0.72,1.0,0.337476869302995,0.35944246453293127,0.21016379960249468,0.22560996504694675,0.2831732746213419
EOS-5-02266,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ncc(Br)cn1,KCRGJTGAEADGMV-UHFFFAOYSA-N,5,1,0.354,78,830,454.307,3.792,5,0.494,0.87,1.0,0.3176273045027757,0.22385374545952985,0.12415187444314989,0.3442361729833459,0.25246727434720034
EOS-5-02267,O=C(NCc1cncc2nnc(-c3ccc(-c4nccs4)cc3F)n12)C(F)(F)F,YKVASODOBRBEIA-UHFFFAOYSA-N,5,1,0.427,66,233,422.367,3.232,4,0.511,0.84,1.0,0.34694332122541294,0.4069203618669043,0.8438934959906792,0.767356589678569,0.5912784421903914
EOS-5-02268,Cn1nnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)c2)n1,JDKCBVPJTXKURJ-UHFFFAOYSA-N,5,1,0.448,68,233,421.318,1.299,4,0.494,0.82,1.0,0.3584058666301145,0.40231992324035365,0.5277568364060037,0.43034233431567404,0.42970624014803643
EOS-5-02269,CCCN(Cc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12)CC(F)(F)F,CEPYBQWYBBFFGO-UHFFFAOYSA-N,5,1,0.43,5,947,462.501,4.698,4,0.378,0.61,1.0,0.30203550133644025,0.29567027619765607,0.5446165444452059,0.42728394215612364,0.3924015660338565
EOS-5-02270,COc1cc(-c2nnc3cncc(CNCc4cc(C#N)ccn4)n23)ccc1-c1cscn1,ZGEFJJKGCOQUIB-UHFFFAOYSA-N,5,1,0.33,60,257,454.519,3.48,5,0.398,0.73,1.0,0.3512953190322802,0.13813309574395174,0.46903056678774585,0.3637773284901652,0.33055907751353575
EOS-5-02271,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c(F)c1,FYDGSXLNKJZGSB-UHFFFAOYSA-N,5,1,0.495,62,504,470.439,4.088,5,0.402,0.86,1.0,0.3071927900760743,0.3497961071893633,0.8004077856212733,0.7255756973476801,0.5457430950585977
EOS-5-02272,COc1cc(-c2nnc3cncc(CNC4CC(F)(F)C4)n23)ccc1-c1cscn1,BQSOCCPJULPYNW-UHFFFAOYSA-N,5,1,0.378,5,743,428.468,3.811,5,0.503,0.65,1.0,0.35130388595709683,0.23910287163319854,0.715106915221712,0.6579740936193544,0.4908719416078404
EOS-5-02273,COc1cc(-c2nnc3cncc(CNCc4ccc(F)c(C#N)n4)n23)ccc1-n1cncn1,GSSPTHLIADTFGE-UHFFFAOYSA-N,5,1,0.333,60,416,456.445,2.076,5,0.391,0.8,1.0,0.30204406826125696,0.2696953601535193,0.3784781714755671,0.2729422246590364,0.30578995613734494
EOS-5-02274,COc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1cnco1,UWKHXDYIEKXECL-UHFFFAOYSA-N,5,1,0.588,35,103,414.425,3.471,5,0.399,0.67,1.0,0.5560790898499075,0.24433726269618258,0.49982866150366667,0.3538653964772805,0.4135276026317593
EOS-5-02275,COc1cc(-c2nnc3cncc(CN(CC(F)F)C(C)=O)n23)ccc1-c1cscn1,LZODLJMXNIVEAS-UHFFFAOYSA-N,5,1,0.442,5,743,444.467,3.537,4,0.434,0.71,1.0,0.29436810362552257,0.2799585360838873,0.2561596189431842,0.1830409156329244,0.25338179357137963
EOS-5-02276,O=C(NCCCc1ccccn1)c1cc(-c2nnc3cncc(Br)n23)ccc1Cl,PSCLOLIVALNDBM-UHFFFAOYSA-N,5,1,0.462,90,636,471.746,3.965,4,0.43,0.89,1.0,0.31997464190254266,0.3256545130559934,0.27470701117126994,0.36378589541498185,0.321030515386197
EOS-5-02278,OCC1(F)CCC(NCc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(F)c4)n23)C1,IBULHAGMMGTUPW-UHFFFAOYSA-N,5,1,0.351,78,830,471.899,3.384,5,0.444,0.58,1.0,0.33019498320882734,0.30062195874169007,0.4896425878966486,0.7203927078335961,0.46021305942019053
EOS-5-02279,CCn1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)c(C)n1,VLNRAKSKTRHMTL-UHFFFAOYSA-N,5,1,0.478,58,271,450.503,3.595,5,0.35,0.6,1.0,0.2669539442121856,0.34980467411418,0.08779384552121171,0.07847303132067714,0.19575637379206362
EOS-5-02280,Clc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)c(COc5ccccc5)n4)n23)nc1,PTOIWFMAUWDYTI-UHFFFAOYSA-N,5,1,0.454,11,275,493.354,5.089,5,0.298,0.74,1.0,0.7206154478788294,0.8223305462271263,0.6297546432732506,0.6984528133781098,0.717788362689329
EOS-5-02281,COc1cc(-c2nnc3cncc(CNCc4cccc(C#N)n4)n23)ccc1-c1cncnc1,HIHBMXWCLNQTQA-UHFFFAOYSA-N,5,1,0.327,60,41,449.478,2.813,5,0.399,0.75,1.0,0.3491621547529299,0.13095401274758411,0.4618600507161949,0.3410749777259955,0.32076279898567606
EOS-5-02282,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)cn5)cn4)n23)c(F)c1F,WTNPRPSRJYWGGD-UHFFFAOYSA-N,5,1,0.33,50,736,463.383,2.482,5,0.431,0.74,0.971,0.2775769309848537,0.3544907819888973,0.5208775957782195,0.464901309026112,0.40446165444452065
EOS-5-02283,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12)c1cnc(F)cn1,YZFVUJGIAODWRG-UHFFFAOYSA-N,5,1,0.422,85,487,451.422,2.308,5,0.432,0.69,1.0,0.2886368309231718,0.279967103008704,0.21017236652731136,0.23463093687889794,0.2533518093345213
EOS-5-02284,Cn1nc(-c2nnc3cncc(OCc4nccc(Cl)c4F)n23)cc1-c1nccs1,VWJDDNQJOFGKAD-UHFFFAOYSA-N,5,1,0.429,95,694,442.867,3.415,5,0.411,0.62,0.989,0.2748012473442533,0.33009218011102737,0.23848605304639847,0.312744157357275,0.28903090946473853
EOS-5-02285,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)c(F)c1F,QYFKLZYSHKPSLR-UHFFFAOYSA-N,5,1,0.333,74,274,462.395,3.087,5,0.437,0.72,0.945,0.26973819477760264,0.3691402234253992,0.69996915907066,0.634980467411418,0.49345701117126994
EOS-5-02287,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)c5ccccn5)n34)c(F)c2)cs1,NYPLGFBDZNTVKV-UHFFFAOYSA-N,5,1,0.44,14,684,445.483,3.687,5,0.443,0.86,1.0,0.28584401343293814,0.28527859639503805,0.2491775752175999,0.21150023987389488,0.25795010622986775
EOS-5-02288,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccccn4)n23)cc1Cl,LLVNXLZPDXQRIJ-UHFFFAOYSA-N,5,1,0.631,90,636,408.849,2.821,4,0.527,0.89,1.0,0.6810619560002742,0.5515985881707902,0.3593310945103146,0.3158967856898088,0.4769721060927969
EOS-5-02289,COc1cc(-c2nnc3cncc(CNCc4ccc(Cl)cn4)n23)ncc1-c1cscn1,AKQJAPVOQMTWKQ-UHFFFAOYSA-N,5,1,0.347,85,41,464.942,3.657,5,0.389,0.7,0.998,0.33020355013364405,0.20373003906517717,0.2822030703858543,0.2674251250771023,0.27089044616544444
EOS-5-02290,Cc1ncc(-c2cnc(-c3cncc4nnc(-c5ccc(Cl)c(C#N)c5)n34)nn2)nn1,HZVZQFXKTJKKFL-UHFFFAOYSA-N,5,1,0.354,50,216,427.819,2.329,5,0.42,0.78,1.0,0.2644438352409019,0.47847988486053045,0.20665992735247757,0.32190219998629294,0.3178714618600507
EOS-5-02291,O=C(NCc1cncc2nnc(-c3ccc(-c4ccsc4)nc3F)n12)c1cc(F)ncn1,GJZOEVQLKDSWKV-UHFFFAOYSA-N,5,1,0.408,85,143,450.434,2.913,5,0.324,0.7,1.0,0.27758549790967035,0.3108165992735248,0.2599461997121513,0.2643067644438352,0.2781637653347954
EOS-5-02292,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncnc(-c5cccnc5)n4)n23)c(F)c1F,OXFSNCQJJRSIQQ-UHFFFAOYSA-N,5,1,0.343,29,849,445.393,2.343,5,0.447,0.73,0.979,0.2886453978479885,0.27478411349461995,0.33681721609211157,0.3031492015626071,0.30084898224933176
EOS-5-02293,c1cc(COc2cncc3nnc(-c4cncc(-c5ncsn5)c4)n23)nc(-c2cnccn2)c1,NSCAAXBEJIFJPD-UHFFFAOYSA-N,5,1,0.444,80,277,466.49,3.136,6,0.361,0.61,1.0,0.2994996915907066,0.3006305256665068,0.14777088616270304,0.13417517647865124,0.22051906997464193
EOS-5-02294,Cc1ncc(-c2nnc3cncc(OCCc4cccnc4F)n23)n1-c1ncccc1F,MXTJARKHEINRMN-UHFFFAOYSA-N,5,1,0.442,18,773,434.41,2.975,5,0.379,0.66,1.0,0.3469518881502296,0.16474196422452198,0.28935645260777193,0.31590535261462543,0.2792389143992872
EOS-5-02295,Fc1cc(F)c(F)c(CNCc2cncc3nnc(-c4ccc(-c5csnn5)c(F)c4)n23)c1,PNXDHESQUDUSHI-UHFFFAOYSA-N,5,1,0.352,45,291,471.443,4.156,5,0.296,0.74,1.0,0.2858525803577548,0.4023284901651703,0.9144078541566719,0.9228291412514564,0.6313545164827634
EOS-5-02296,COc1cc(-c2nnc3cncc(CNC(=O)c4ccno4)n23)ccc1-c1nccs1,XVICJPONGNGQSE-UHFFFAOYSA-N,5,1,0.49,14,257,433.453,2.841,5,0.434,0.79,1.0,0.33261942293194435,0.20373860598999383,0.10480775820711398,0.04963676238777329,0.17270063737920635
EOS-5-02297,O=C(NCc1cncc2nnc(-c3ccc(-c4ccsn4)nc3Cl)n12)C(F)(F)F,KCWKSUNWJCMOEX-UHFFFAOYSA-N,5,1,0.406,68,585,439.81,3.142,4,0.49,0.64,1.0,0.2617966554725516,0.3738520320745665,0.6646477280515386,0.6232095127133165,0.4808764820779933
EOS-5-02298,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncn5C)c(F)n4)n23)c(F)c1F,URPZANSHQXCYNH-UHFFFAOYSA-N,5,1,0.327,74,26,464.411,3.031,5,0.41,0.67,0.961,0.27480981426907,0.3594510314577479,0.694554862586526,0.6116270303611816,0.4851106846686314
EOS-5-02299,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)cc1,KIKSVDBOKVTECT-UHFFFAOYSA-N,5,1,0.547,62,504,452.449,3.949,5,0.419,0.87,1.0,0.28865396477280514,0.26970392707833596,0.7024621341923103,0.5871598930847783,0.46199497978205745
EOS-5-02300,Cc1ncsc1-c1ccc(-c2nnc3cncc(CNC4CCC(F)(CO)C4)n23)c(F)c1,DDHPOQGMSBNCES-UHFFFAOYSA-N,5,1,0.333,78,830,456.522,3.705,5,0.46,0.51,0.413,0.29950825851552326,0.24434582962099924,0.37461448838324996,0.5587348365430745,0.3693008532657117
EOS-5-02301,CCc1cnc(-c2cc(-c3nnc4cncc(OCc5cccc(C)n5)n34)ccn2)nc1,NHMMGXMAKIOVBN-UHFFFAOYSA-N,5,1,0.489,75,420,424.468,3.488,5,0.408,0.77,1.0,0.3628435336851484,0.2593122472757179,0.18276677403879105,0.10942533068329792,0.2285869714207388
EOS-5-02302,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)n1,HGMQYIDBNQXIIE-UHFFFAOYSA-N,5,1,0.337,0,188,449.421,2.383,5,0.452,0.86,1.0,0.28314543211568777,0.2799756699335207,0.1860479062435748,0.22001576314166266,0.24229619285861148
EOS-5-02303,COc1cc(-c2nnc3cncc(CNc4cccc(F)c4)n23)ccc1-c1nccs1,SQEUCLNUVYIEEO-UHFFFAOYSA-N,5,1,0.404,14,257,432.484,4.675,5,0.42,0.87,1.0,0.3151514632307587,0.2542577616338839,0.6121924473990816,0.5121907340141183,0.42344810156946067
EOS-5-02304,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)c(F)c1,NHXDLUKDCRIKOO-UHFFFAOYSA-N,5,1,0.421,0,188,434.406,2.728,5,0.501,0.9,1.0,0.2969467479953396,0.2906671921047221,0.4513570008909602,0.49851792200671646,0.3843722157494346
EOS-5-02305,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)cn4)n23)c(F)c1F,RNTDOZXQVDGSHB-UHFFFAOYSA-N,5,1,0.333,62,3,442.429,4.158,5,0.452,0.88,1.0,0.2697467617024193,0.330100747035844,0.7934257418956892,0.7699181001987526,0.5407978377081762
EOS-5-02306,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ncc(Br)cn1,DSPLICABZJOMGR-UHFFFAOYSA-N,5,1,0.367,5,741,466.343,3.662,5,0.464,0.84,1.0,0.35841443355493113,0.1309625796724008,0.05391165787129052,0.12340655198409979,0.16667380577068056
EOS-5-02307,COc1cc(-c2nnc3cncc(CNC(=O)c4cccnc4)n23)ccc1-c1cscn1,YVKHLNSUPDSSSY-UHFFFAOYSA-N,5,1,0.485,14,257,443.492,3.248,5,0.429,0.86,1.0,0.32229627852785964,0.17739531217874033,0.259954766636968,0.14813926392981974,0.22694640531834692
EOS-5-02308,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5ncsn5)cc4F)n23)CC1,MXEUQCGRPQZHHL-UHFFFAOYSA-N,5,1,0.414,78,753,425.449,2.244,5,0.505,0.73,1.0,0.33972997052977866,0.2956788431224728,0.022513878418203,0.09088650538002878,0.18720229936262078
EOS-5-02309,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)CC4)n23)ccc1-c1cnsn1,BBTQTOWLGFKPBY-UHFFFAOYSA-N,5,1,0.408,5,966,425.449,2.437,5,0.506,0.66,1.0,0.3422143787266123,0.2852871633198547,0.0322801727092043,0.08010074703584401,0.18497061544787882
EOS-5-02310,COc1cc(-c2nnc3cncc(CNC4CCC(F)(CO)C4)n23)ccc1-c1ccsn1,ODIJVTMJSSUGOP-UHFFFAOYSA-N,5,1,0.379,5,743,454.531,3.266,5,0.442,0.57,1.0,0.332627989856761,0.14543211568775272,0.28221163731067095,0.4016345692550202,0.2904765780275512
EOS-5-02311,CCc1c(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)ccc(C(=O)NC)c1F,IANOFDJHBKKVHG-UHFFFAOYSA-N,5,1,0.346,0,862,476.487,3.551,5,0.443,0.82,0.815,0.35365122335686383,0.30063909259132343,0.37848673840038377,0.37011685285449936,0.3507234768007676
EOS-5-02313,COc1cc(-c2nnc3cncc(CNC(=O)C(C)(O)CO)n23)ccc1-c1cscn1,KBOREGZRKKDTFY-UHFFFAOYSA-N,5,1,0.388,5,966,440.485,1.283,4,0.391,0.61,1.0,0.34222294565142897,0.13814166266876843,0.21353916798026182,0.07657117401137688,0.19261873757795903
EOS-5-02314,COc1cc(-c2nnc3cncc(CNC(=O)CO)n23)ccc1-c1csc(F)n1,DHCUDFNOIDUHTF-UHFFFAOYSA-N,5,1,0.42,5,966,414.422,1.671,4,0.493,0.73,1.0,0.50012850387225,0.339952710575012,0.17954561030772395,0.09475018847234597,0.278594253306833
EOS-5-02315,O=C(NCc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12)c1cccc(Cl)n1,LXDNHPQWKLHHKZ-UHFFFAOYSA-N,5,1,0.416,14,28,466.889,3.427,5,0.395,0.6,1.0,0.2831539990405044,0.3399612774998287,0.16349976012610512,0.20548625865259407,0.2480253238297581
EOS-5-02316,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ncc(Cl)cn5)cc4)n23)c(F)c1F,BCBUSAONISWTNT-UHFFFAOYSA-N,5,1,0.329,96,648,477.862,4.207,5,0.416,0.77,1.0,0.327496401891577,0.4209101500925228,0.7854071002672881,0.7699266671235693,0.5759350798437393
EOS-5-02317,FC(F)Oc1ccc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)cc1,WOGBNWOPBGUNRS-UHFFFAOYSA-N,5,1,0.495,14,416,448.437,3.263,5,0.389,0.73,1.0,0.2804468507984374,0.27479268041943666,0.7510194640531834,0.6579826605441711,0.4910604139538072
EOS-5-02318,CCc1nc(-c2nnc3cncc(CNCc4cc(F)ccc4F)n23)ccc1-c1ccccn1,JXIDKSOVVAPOKQ-UHFFFAOYSA-N,5,1,0.376,14,291,457.488,4.379,5,0.391,0.73,0.984,0.27481838119388663,0.3056250428346241,0.5871427592351449,0.6021348776643136,0.44243026523199236
EOS-5-02319,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)c2)n[nH]1,JDUSUHLJGIMFCG-UHFFFAOYSA-N,5,1,0.42,68,233,420.33,2.202,4,0.49,0.8,1.0,0.3536597902816805,0.40692892879172093,0.6890805976286752,0.5618274964018916,0.5028742032759921
EOS-5-02320,C=C(C)C(=O)NCCc1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)cc1,LZFSMGRSKONLPZ-UHFFFAOYSA-N,5,1,0.349,0,938,476.487,3.331,4,0.399,0.72,1.0,0.3513124528819135,0.30563360975944076,0.31492872318552534,0.19397231169899254,0.29146177438146803
EOS-5-02321,COc1cc(-c2nnc3cncc(CNCCc4ccc(F)c(F)c4)n23)ccc1-c1ncsn1,SQLGGNPEEDAXHK-UHFFFAOYSA-N,5,1,0.485,14,291,479.516,3.929,5,0.337,0.71,1.0,0.3859827976149681,0.3056421766842574,0.60011308340758,0.5356212733877047,0.4568398327736276
EOS-5-02322,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(-c5cncs5)n4)n23)cc1F,PFXPNBRVRRWSJI-UHFFFAOYSA-N,5,1,0.343,96,802,465.901,4.129,5,0.428,0.73,1.0,0.26975532862723595,0.36410287163319854,0.5344647385374546,0.5487201014323898,0.42926076005756975
EOS-5-02323,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cc4)n23)c(F)c1F,BRFDKQYYTHVHAL-UHFFFAOYSA-N,5,1,0.375,0,21,448.433,2.942,5,0.518,0.92,1.0,0.28586114728257145,0.2593208142005346,0.09698615584949627,0.19941230895757658,0.21039510657254473
EOS-5-02324,Fc1ccc(Oc2cncc3nnc(-c4cc(-c5nncs5)ncn4)n23)c(F)c1,WPJYRABNTMQCOY-UHFFFAOYSA-N,5,1,0.389,13,971,410.369,3.17,5,0.445,0.68,1.0,0.5616732917551915,0.5561733260228908,0.43681036255225825,0.4985264889315331,0.5132958673154684
EOS-5-02325,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12)c1ncc(F)cc1F,UGBLKYYNEUMJKM-UHFFFAOYSA-N,5,1,0.417,14,487,468.424,3.052,5,0.422,0.64,1.0,0.2943766705503392,0.31599102186279215,0.4330666164073744,0.4892656432047152,0.38317498800630523
EOS-5-02326,Cc1nc(Cl)ccc1CCOc1cncc2nnc(-c3ccc(Cl)cc3)n12,RCNGYMFSVLJAOF-UHFFFAOYSA-N,5,1,0.732,48,400,400.269,4.423,4,0.464,0.72,1.0,0.9869097388801316,0.9833201973819478,0.7411503666643822,0.8152628332533753,0.8816607840449592
EOS-5-02327,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5nccs5)cc4F)n23)c(F)c1F,UBWPGRYODMNEKZ-UHFFFAOYSA-N,5,1,0.321,96,648,466.448,4.359,5,0.426,0.74,1.0,0.26976389555205266,0.3594595983825646,0.8342128709478446,0.7956360084983894,0.5647680933452128
EOS-5-02328,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,YYNXDSBGMDIZQS-UHFFFAOYSA-N,5,1,0.563,90,636,409.837,2.216,4,0.52,0.8,1.0,0.6073435679528476,0.5284421903913371,0.1635083270509218,0.13629120690836818,0.35889632307586866
EOS-5-02329,CCN(Cc1cncc2nnc(-c3ccc(-c4csnn4)c(OC)c3)n12)c1ccc(F)cc1,NQISXHILCNDOLK-UHFFFAOYSA-N,5,1,0.402,14,257,461.526,4.484,5,0.353,0.81,1.0,0.2697724624768693,0.3301093139606607,0.44045987252415875,0.3538739634020972,0.34855390309094647
EOS-5-02330,COc1cc(-c2nnc3cncc(CNC(=O)C(C)Br)n23)ccc1-c1cscn1,MMQYWMWLRPFGMG-UHFFFAOYSA-N,5,1,0.429,5,966,473.356,3.323,4,0.432,0.53,1.0,0.3422315125762456,0.24435439654581592,0.1994894112809266,0.10081557124254678,0.22172272291138373
EOS-5-02331,COc1cc(-c2nnc3cncc(CNC4CCC(F)(CO)C4)n23)ccc1-c1cncs1,PSYVGHIGHFQQMS-UHFFFAOYSA-N,5,1,0.391,5,741,454.531,3.266,5,0.442,0.53,1.0,0.3223048454526763,0.16475053114933863,0.31103077239394145,0.4176118840381057,0.30392450825851547
EOS-5-02332,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(Cl)n4)n23)ccc1-c1cscn1,PGNQVPLTUVXXSE-UHFFFAOYSA-N,5,1,0.352,14,257,467.917,4.723,5,0.361,0.7,1.0,0.31516003015557537,0.24436296347063258,0.6327016654101844,0.5618360633267082,0.4385151805907751
EOS-5-02333,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC(F)(CO)C5)n34)cc2F)cs1,TUOCEUKWYJVEJC-UHFFFAOYSA-N,5,1,0.351,78,830,456.522,3.705,5,0.46,0.55,0.995,0.29695531492015625,0.2238623123843465,0.39311047906243574,0.5715595229936262,0.37137190734014114
EOS-5-02334,Cn1nc(-c2nnc3cncc(OCc4cc(F)c(Cl)cn4)n23)cc1-c1cscn1,CAKLWFWAJZMRMR-UHFFFAOYSA-N,5,1,0.461,95,694,442.867,3.415,5,0.411,0.54,1.0,0.2644524021657186,0.32566307998081007,0.3557586868617641,0.4113751627715715,0.3393123329449661
EOS-5-02335,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)c5ccnn5C)n34)c(F)c2)cs1,WGSZZYPQCAJRMC-UHFFFAOYSA-N,5,1,0.426,14,487,448.487,3.026,5,0.443,0.84,1.0,0.26696251113700226,0.30565074360907407,0.15096634911932014,0.11417997395654855,0.20943989445548625
EOS-5-02336,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncc(F)cn5)n4)n23)c(F)c1F,QJJPVUJNQPFKGP-UHFFFAOYSA-N,5,1,0.314,74,836,462.395,3.087,5,0.437,0.69,0.993,0.26446096909053524,0.34981324103899664,0.5679442807209923,0.5254351997806868,0.42691342265780274
EOS-5-02337,Fc1cc(CNCc2cncc3nnc(-c4ccc(-c5cnc(C(F)(F)F)nn5)cc4)n23)ccn1,XOWDYEIJCHOSTA-UHFFFAOYSA-N,5,1,0.327,14,416,481.417,3.486,5,0.29,0.76,1.0,0.3744945514358166,0.4069374957165376,0.8215680899184429,0.6931070522925091,0.5740267973408266
EOS-5-02338,COc1cc(-c2nnc3cncc(CNCc4cccc(C#N)n4)n23)ccc1-c1cscn1,NHIPBCQWXYXQJQ-UHFFFAOYSA-N,5,1,0.33,60,41,454.519,3.48,5,0.398,0.73,1.0,0.33263655678157766,0.13441505037351792,0.40058083750257006,0.28780583921595504,0.2888595709684052
EOS-5-02339,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2OC(F)F)cs1,AROANPPAQMUILN-UHFFFAOYSA-N,5,1,0.42,5,741,442.495,4.467,5,0.455,0.76,1.0,0.29147248303748885,0.23911143855801523,0.31103933931875816,0.4366904256048249,0.3195784216297718
EOS-5-02340,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cn4)n23)c(F)c1F,SPODFXKDGUIKFB-UHFFFAOYSA-N,5,1,0.311,63,129,449.421,2.383,5,0.484,0.79,0.995,0.26446953601535195,0.31082516619834144,0.2671938181070523,0.27612912069083684,0.2796544102528956
EOS-5-02341,O=C(NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3F)n12)C(F)(F)F,NYLITIBIHDYEPJ-UHFFFAOYSA-N,5,1,0.452,68,233,423.355,2.627,4,0.507,0.73,1.0,0.3249520252210267,0.36914879035021586,0.7532297306558837,0.6665924199849222,0.5284807415530122
EOS-5-02342,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(Cl)c4)n23)cc1,CKLYNCWCWTWBKK-UHFFFAOYSA-N,5,1,0.44,0,862,432.871,3.103,5,0.502,0.91,1.0,0.2914810499623055,0.29568741004728943,0.3110479062435748,0.3829244054554177,0.32028519292714686
EOS-5-02343,COc1cc(-c2nnc3cncc(CNC4CCC(F)(CO)C4)n23)ccc1-c1nccs1,HFTZFDDBUVZXHK-UHFFFAOYSA-N,5,1,0.379,5,743,454.531,3.266,5,0.442,0.59,1.0,0.32496059214584333,0.1493986018778699,0.23849461997121513,0.34424473990816257,0.2642746384757727
EOS-5-02345,Cn1ccnc1-c1ccc(-c2nnc3cncc(CCc4ccc(F)nc4)n23)cc1F,UDYOINVFCOIYJO-UHFFFAOYSA-N,5,1,0.384,14,353,417.423,3.65,5,0.408,0.7,1.0,0.3768076211363169,0.45636865190871084,0.6478651223356864,0.6467000205606196,0.5319353539853334
EOS-5-02346,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)c(F)c1F,USXKCCDSNYQJPJ-UHFFFAOYSA-N,5,1,0.322,50,845,445.393,2.343,5,0.447,0.68,1.0,0.26978102940168597,0.2956959769721061,0.4998372284284833,0.4303509012404907,0.3739162840106915
EOS-5-02347,COc1cc(-c2nnc3cncc(CNC(=O)C(F)F)n23)ccc1-c1cscn1,WYXYOCVSQWIIAU-UHFFFAOYSA-N,5,1,0.429,5,966,416.413,2.805,4,0.52,0.78,1.0,0.43957747926804197,0.33011788088547733,0.4792337742443972,0.3442533068329792,0.3982956103077239
EOS-5-02348,COc1cc(-c2nnc3cncc(CNc4ccc(F)cc4)n23)ccc1-c1ncsn1,XGUIDGFBMSGTFI-UHFFFAOYSA-N,5,1,0.396,14,291,433.472,4.07,5,0.432,0.78,1.0,0.3125985196353917,0.22895106572544718,0.4998457953533,0.41452779110410526,0.36398079295456104
EOS-5-02349,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)CC4)n23)ccc1-c1nccs1,NOLFQAWMPPRUSS-UHFFFAOYSA-N,5,1,0.416,5,966,424.461,3.042,5,0.511,0.68,1.0,0.3397385374545953,0.29570454389692274,0.04492495373860599,0.09475875539716264,0.19378169762182165
EOS-5-02350,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccc(F)nn5)cn4)n23)c(F)c1F,UWFWNBAJLSVOJJ-UHFFFAOYSA-N,5,1,0.315,96,26,462.395,3.087,5,0.437,0.7,0.966,0.2537437461448838,0.36915735727503257,0.6890891645534919,0.6349890343362347,0.4867448255774107
EOS-5-02351,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccc5)nc4)n23)c(F)c1F,KCHAITFFORLCBK-UHFFFAOYSA-N,5,1,0.33,62,3,442.429,4.158,5,0.452,0.88,1.0,0.26180522239736825,0.33012644781029404,0.7980347474470564,0.7648978822561853,0.538716074977726
EOS-5-02352,COc1cc(-c2nnc3cncc(COc4cnc(C)nc4)n23)ccc1-c1cscn1,RUQXCDOTCQMKNL-UHFFFAOYSA-N,5,1,0.347,14,257,431.481,3.601,5,0.402,0.76,1.0,0.34457028305119597,0.16092111575628812,0.3258772531012268,0.18563669385237475,0.2542513364402714
EOS-5-02353,Cn1cnc(C(=O)NCc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)c1,WARJDJWMJZJWKB-UHFFFAOYSA-N,5,1,0.43,85,487,435.448,2.112,5,0.449,0.71,1.0,0.277594064834487,0.3108337331231581,0.09699472277431294,0.08352751696251114,0.1922375094236173
EOS-5-02354,O=C(Nc1cccc(F)c1)c1ccc(-c2cncc3nnc(-c4ccncc4F)n23)c(F)c1,USLITIHXLVRWTA-UHFFFAOYSA-N,5,1,0.478,45,504,446.392,4.523,5,0.439,0.85,1.0,0.24846652045781648,0.35449934891371393,0.9097731478308546,0.9028767733534371,0.6039039476389556
EOS-5-02355,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1C,XFAINZLUPZOMBS-UHFFFAOYSA-N,5,1,0.349,0,862,444.47,3.158,5,0.492,0.91,1.0,0.2831625659653211,0.25426632855870057,0.2965869371530395,0.2761376876156535,0.27753837982317864
EOS-5-02356,COC1(C)CCC(NCc2cncc3nnc(-c4ccc(-c5nncc(C)n5)cc4F)n23)CC1,VWCYJIFGJZCPRJ-UHFFFAOYSA-N,5,1,0.316,78,830,462.533,3.528,5,0.464,0.66,0.954,0.2995168254403399,0.22895963265026387,0.05392022479610719,0.18304948255774106,0.191361541361113
EOS-5-02357,CCc1nc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ccc(COC)nc1,FQMMFVNAJQLNHA-UHFFFAOYSA-N,5,1,0.412,49,690,467.533,3.974,5,0.321,0.62,0.998,0.3422400795010623,0.15330511959427043,0.2893650195325886,0.19656808991844288,0.24536957713659105
EOS-5-02358,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)c5ccccc5)cc4Cl)n23)c(F)c1,UYSOTOUUCUANAC-UHFFFAOYSA-N,5,1,0.366,79,504,485.906,4.841,5,0.36,0.84,1.0,0.4283119731341238,0.5100233020355014,0.8439020629154959,0.8230673017613598,0.6513261599616202
EOS-5-02359,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5ccsc5)nc4F)n23)CC1,GGPGOFHIGDSFLP-UHFFFAOYSA-N,5,1,0.382,78,753,424.461,2.849,5,0.479,0.64,1.0,0.3445788499760126,0.2748012473442533,0.03492735247755466,0.13201631142485093,0.19658094030566786
EOS-5-02360,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)CC4)n23)ccc1-c1ccsc1,JJWUQVVJDTWXCD-UHFFFAOYSA-N,5,1,0.424,5,966,423.473,3.647,5,0.512,0.77,1.0,0.3445874169008293,0.3006476595161401,0.1389469536015352,0.26743369200191897,0.2629039305051059
EOS-5-02361,O=C(NCc1cncc2nnc(-c3ccc(-c4cnsn4)nc3F)n12)C(F)(F)F,MOGDVRWVJFVMPW-UHFFFAOYSA-N,5,1,0.394,68,585,424.343,2.022,4,0.394,0.6,1.0,0.3275049688163937,0.3256716469056268,0.5645432115687753,0.4742135563018299,0.4229833458981564
EOS-5-02362,COc1c(Cl)ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c1F,SJOIHLJQPCUPCL-UHFFFAOYSA-N,5,1,0.495,83,504,491.885,5.651,5,0.343,0.82,1.0,0.5931824412308958,0.7691727777397026,0.933023781783291,0.907391542731821,0.8006926358714276
EOS-5-02363,CCn1cc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)nc2C)cn1,LJDRNPWTDQQDEV-UHFFFAOYSA-N,5,1,0.315,85,920,430.447,3.491,5,0.381,0.62,1.0,0.28317113289013773,0.335026728805428,0.34824549379754643,0.26431533136865193,0.30768967171544104
EOS-5-02364,CCn1ncnc1-c1ccc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)c(F)n1,WXMLJPBXYYGEMM-UHFFFAOYSA-N,5,1,0.371,68,585,435.345,1.782,4,0.375,0.69,1.0,0.2697895963265026,0.3211140429031595,0.3039716263450072,0.2435062709889658,0.28459538414090874
EOS-5-02365,COc1cc(-c2nnc3cncc(CNCc4cccc(C#N)c4)n23)ccc1-c1cncs1,FWOUNZCOWLHKGK-UHFFFAOYSA-N,5,1,0.36,60,257,453.531,4.085,5,0.396,0.75,1.0,0.3199832088273593,0.1494071688026866,0.6783719416078404,0.5747121513261599,0.43061861764101156
EOS-5-02366,COCOCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12,GVEHNXCTUURKOA-UHFFFAOYSA-N,5,1,0.337,78,75,455.519,2.795,5,0.288,0.52,0.969,0.2858697142073881,0.23912000548283188,0.3368257830169282,0.39544068261256937,0.31431404632992943
EOS-5-02367,COc1cc(-c2nnc3cncc(CNc4ccc(F)cc4)n23)ccc1-c1cncs1,HFZMSXFEFZPTQH-UHFFFAOYSA-N,5,1,0.396,14,257,432.484,4.675,5,0.42,0.84,1.0,0.30720135700089096,0.23912857240764854,0.704997943938044,0.6052618052223974,0.46414741964224526
EOS-5-02368,COc1cc(-c2nnc3cncc(CNC(=O)c4cccnc4)n23)ccc1-c1cnccn1,BOLWTICHANZKIB-UHFFFAOYSA-N,5,1,0.475,14,257,438.451,2.582,5,0.43,0.77,1.0,0.32751353574121034,0.14941573572750325,0.25996333356178464,0.1459118634774861,0.22070111712699608
EOS-5-02369,COc1cc(-c2nnc3cncc(CNCc4nccc(C(F)F)n4)n23)ccc1-c1cscn1,CMHQWZVJRKDUKN-UHFFFAOYSA-N,5,1,0.333,60,41,480.504,3.941,5,0.356,0.65,1.0,0.40524981152765405,0.24934891371393325,0.4792423411692139,0.3378966486190117,0.3679344287574532
EOS-5-02370,OCC1(F)CCC(NCc2cncc3nnc(-c4ccc(-c5ccnnc5)c(F)c4)n23)C1,LEPISKGYECLCBN-UHFFFAOYSA-N,5,1,0.362,78,830,437.454,2.73,5,0.478,0.58,1.0,0.30475978342814064,0.2037471729148105,0.5208861627030361,0.7067370296758275,0.4340325371804537
EOS-5-02371,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cccc(C(F)F)n1,GLUDQTBLZWUVRB-UHFFFAOYSA-N,5,1,0.376,5,741,436.466,4.442,5,0.462,0.77,1.0,0.32496915907066,0.1609296826811048,0.4368189294770749,0.4924011376876157,0.3537797272291138
EOS-5-02372,O=C(NCc1cncc2nnc(-c3ccc(-c4cccs4)nc3F)n12)C(F)(F)F,IBSMDSPHWBFIHU-UHFFFAOYSA-N,5,1,0.406,68,585,422.367,3.232,4,0.403,0.79,1.0,0.319991775752176,0.39736824069631965,0.7832482352134877,0.6957028305119595,0.5490777705434857
EOS-5-02373,COc1cc(-c2nnc3cncc(CNc4ccc(F)cc4)n23)ccc1-c1nncs1,FUSPWWBTSHNDLW-UHFFFAOYSA-N,5,1,0.384,14,291,433.472,4.07,5,0.432,0.82,1.0,0.29438523747515594,0.25932938112535125,0.5177592351449524,0.4303594681653074,0.3754583304776917
EOS-5-02374,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)cc1Cl,KCOUMBOSUMEQRQ-UHFFFAOYSA-N,5,1,0.516,62,504,474.351,6.326,5,0.331,0.87,1.0,0.28317969981495444,0.4118120759372216,0.9211328901377561,0.9301281611952573,0.6365632067712974
EOS-5-02375,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12)c1ccc(F)cn1,OWZQXEODRKNAAH-UHFFFAOYSA-N,5,1,0.426,14,487,450.434,2.913,5,0.438,0.72,1.0,0.26979816325131933,0.2697124940031526,0.3441590706599959,0.37355218970598314,0.3143054794051128
EOS-5-02376,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1,XFQJMOOVZIYGCX-UHFFFAOYSA-N,5,1,0.873,48,378,409.396,3.051,4,0.529,0.8,1.0,0.7297734905078473,0.345084298540196,0.7957216777465561,0.6814303337673908,0.6380024501404975
EOS-5-02377,COc1cc(-c2nnc3cncc(CNCc4ncc(Cl)cc4F)n23)ccc1-c1cnsc1,DKJAJIBQPQCQKJ-UHFFFAOYSA-N,5,1,0.353,60,41,481.944,4.401,5,0.368,0.55,1.0,0.3859913645397848,0.3786238091974505,0.632710232335001,0.614711123295182,0.5030091323418545
EOS-5-02378,Fc1cc(-c2nnc3cncc(CNCC4CCCO4)n23)ccc1-c1ncc(Cl)cn1,HTVIQCXOYJSIGG-UHFFFAOYSA-N,5,1,0.35,78,75,439.882,3.309,5,0.493,0.68,1.0,0.2831882667397711,0.2493574806387499,0.1891919676512919,0.40793125899527105,0.28241724350627095
EOS-5-02379,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)c1F,IVQZFTIOIMFKLB-UHFFFAOYSA-N,5,1,0.53,73,910,407.34,3.094,5,0.438,0.65,1.0,0.7738331848399699,0.537625933794805,0.6783805085326571,0.6666009869097389,0.6641101535192928
EOS-5-02380,CN(C)Cc1nc(-c2ccc(-c3nnc4cncc(OCCc5ccncc5F)n34)cn2)ns1,CACLDVBPPMCTLT-UHFFFAOYSA-N,5,1,0.49,65,904,477.529,2.922,5,0.333,0.72,1.0,0.3200003426769927,0.3880388595709684,0.07605715852237681,0.06220444109382496,0.21157520046604072
EOS-5-02381,COc1cc(-c2nnc3cncc(CN(C)c4ccc(Cl)cn4)n23)ccc1-c1cncs1,IBNCTRVRFCDXRY-UHFFFAOYSA-N,5,1,0.429,14,257,463.954,4.608,5,0.363,0.69,1.0,0.28045541772325405,0.27480981426907,0.41080117880885475,0.32491775752176,0.32274604208073465
EOS-5-02382,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3Cl)n12)C(F)(F)F,HRFQDEPMCAJKAC-UHFFFAOYSA-N,5,1,0.398,68,585,440.798,2.537,4,0.485,0.66,1.0,0.24847508738263313,0.34509286546501267,0.5548882873003906,0.5220341306284696,0.4176225926941265
EOS-5-02383,COCCOc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ncc(Cl)cn1,HNSFKYKQKRCKLO-UHFFFAOYSA-N,5,1,0.337,5,741,465.945,3.569,5,0.374,0.82,1.0,0.327522102666027,0.16093824960592146,0.07834452744842711,0.17470529778630664,0.18537754437667053
EOS-5-02384,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnccn5)nc4)n23)c(F)c1F,NBIIVCWBQZATOW-UHFFFAOYSA-N,5,1,0.317,82,836,444.405,2.948,5,0.454,0.78,1.0,0.2644781029401686,0.29067575902953874,0.6064354739222808,0.5254437667055034,0.4217582756493729
EOS-5-02385,COC(=O)NC(C)C(=O)NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3F)n12,CKKIRDXJCGMXHM-UHFFFAOYSA-N,5,1,0.398,78,753,456.463,1.81,4,0.448,0.57,1.0,0.28866253169762185,0.2134363648824618,0.05392879172092386,0.011368309231718183,0.14184899938318143
EOS-5-02386,c1ccc(CCOc2cncc3nnc(-c4cc(-c5nccs5)cnc4-c4nncs4)n23)nc1,WAWNJXSYWRWNTG-UHFFFAOYSA-N,5,1,0.522,6,796,485.558,3.845,6,0.332,0.62,0.467,0.45141696936467685,0.40694606264135424,0.057612569392091015,0.06715612363785896,0.24578293125899528
EOS-5-02387,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(-c2ncccn2)cc1,UXSHIFWHHBPTQX-UHFFFAOYSA-N,5,1,0.33,14,257,451.509,4.697,6,0.403,0.85,1.0,0.28319683366458775,0.2185165512987458,0.34036392296621204,0.5425090809403057,0.3461465972174628
EOS-5-02388,NC(=O)c1ccc(-c2nnc3cncc(OCCc4ccc(-n5cncn5)nc4)n23)cc1,WCJIEYDXAJOFAG-UHFFFAOYSA-N,5,1,0.635,89,731,427.428,1.487,5,0.412,0.79,1.0,0.3859999314646015,0.10462785278596395,0.1602871633198547,0.08892467959701186,0.184959906791858
EOS-5-02389,COc1cc(-c2nnc3cncc(CNC(=O)c4ccsc4)n23)ccc1-c1cnsc1,IFVTVHHDBBJXCI-UHFFFAOYSA-N,5,1,0.5,14,257,448.533,3.915,5,0.423,0.62,1.0,0.2969638818449729,0.1858851346720581,0.30742409704612433,0.19657665684325953,0.24671244260160372
EOS-5-02390,c1ccc(-n2cncn2)c(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1,HTJWREFBXKUVBD-UHFFFAOYSA-N,5,1,0.446,24,297,453.491,3.47,6,0.377,0.71,1.0,0.315168597080392,0.14942430265231993,0.29659550407785623,0.2643238982934686,0.2563780755260092
EOS-5-02391,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1ccc(F)nn1,VNDJVBAOIRPLPQ-UHFFFAOYSA-N,5,1,0.408,5,966,419.42,2.422,5,0.511,0.85,1.0,0.38600849838941814,0.29571311082173946,0.06538277020080872,0.10943389760811459,0.21413456925502022
EOS-5-02392,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)CC4)n23)ccc1-c1nncs1,PKIUAMNXZZSJRU-UHFFFAOYSA-N,5,1,0.412,5,966,425.449,2.437,5,0.506,0.67,1.0,0.32753066959084365,0.26972106092796927,0.02439860187786992,0.05780960866287437,0.1698649852648893
EOS-5-02393,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4ccccc4F)n23)cc1,FBSGLDPGXZQFHK-UHFFFAOYSA-N,5,1,0.506,83,504,443.869,5.503,5,0.398,0.87,1.0,0.22094955794667945,0.4164896168871222,0.895680556507436,0.9109725173051881,0.6110230621616064
EOS-5-02394,Clc1ccc(-c2nnc3cncc(OCCCc4ccnc(Cl)c4)n23)cc1,SNTFXDVCXPLBGD-UHFFFAOYSA-N,5,1,0.64,90,400,400.269,4.505,4,0.352,0.87,1.0,0.9807586868617642,0.9862158179699815,0.7437204441093825,0.8502587211294633,0.890238417517648
EOS-5-02395,COc1cc(-c2nnc3cncc(CNC4CCC(F)(CO)C4)n23)ccc1-c1cnsn1,RTXCPGVYPZJWRW-UHFFFAOYSA-N,5,1,0.371,5,741,455.519,2.661,5,0.438,0.51,1.0,0.322313412377493,0.13097114659721745,0.19598553903090946,0.31591391953944215,0.2412960043862655
EOS-5-02396,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)nc4)n23)c(F)c1F,WDNPCGGRICPLHD-UHFFFAOYSA-N,5,1,0.361,82,736,444.405,2.948,5,0.454,0.79,1.0,0.25616818586800083,0.3056593105338908,0.5679528476458091,0.4955023644712494,0.4063206771297375
EOS-5-02397,CCc1cnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)nc2CC)nc1,VPNHWBOZQSVQNZ-UHFFFAOYSA-N,5,1,0.343,68,585,456.432,2.947,4,0.475,0.71,0.937,0.2804639846480707,0.2336628743746145,0.307432663970941,0.18035946816530737,0.25047974778973336
EOS-5-02398,COc1cc(-c2nnc3cncc(CNc4cccc(F)c4)n23)ccc1-c1nncs1,MUMHOIWWUAMHKX-UHFFFAOYSA-N,5,1,0.4,14,291,433.472,4.07,5,0.432,0.85,1.0,0.28587828113220476,0.269729627852786,0.49985436227811664,0.4210643547392228,0.36913165650058255
EOS-5-02399,O=C(NCc1cncc2nnc(-c3cnc(-c4cnc(C(F)F)cn4)cn3)n12)C(F)(F)F,OZEFROMJLAMAJF-UHFFFAOYSA-N,5,1,0.33,68,585,451.319,2.154,4,0.458,0.72,1.0,0.2748269481187033,0.23913713933246522,0.7384089507230485,0.5841786032485778,0.45913791035569873
EOS-5-02400,N#Cc1ccc(-c2ccnc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)n2)nn1,NNESIKIERGYMIK-UHFFFAOYSA-N,5,1,0.343,74,768,438.386,1.815,5,0.441,0.67,0.816,0.27483551504352,0.2644781029401686,0.27471557809608665,0.27295079158385305,0.27174499691590703
EOS-5-02401,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnn5)cn4)n23)c(F)c1F,ZMKFYBNLSNHNQL-UHFFFAOYSA-N,5,1,0.326,50,845,446.381,1.738,5,0.438,0.61,1.0,0.269806730176136,0.2593379480501679,0.3403724898910287,0.3065502707148242,0.2940168597080392
EOS-5-02402,O=C(NCc1cncc2nnc(-c3ccc(-c4cnsc4)cc3F)n12)C(F)(F)F,LXKBCJVQEMBVON-UHFFFAOYSA-N,5,1,0.447,68,233,422.367,3.232,4,0.511,0.71,1.0,0.31763587142759236,0.38804742649578505,0.8970341306284696,0.8484853676924131,0.612800699061065
EOS-5-02403,COc1cc(-c2nnc3cncc(CNCCCc4ccc(F)cn4)n23)ccc1-c1cncs1,RLTPOJJGDCUSFN-UHFFFAOYSA-N,5,1,0.358,14,41,475.553,4.18,5,0.32,0.67,1.0,0.3513210198067302,0.21852511822356246,0.31105647316839147,0.2729593585086697,0.28846549242683844
EOS-5-02404,Cn1cncc1-c1cnnc(-c2nnc3cncc(OCCc4ncccc4F)n23)c1,XNDNVSJNUBIYHR-UHFFFAOYSA-N,5,1,0.423,31,643,417.408,2.137,5,0.413,0.69,0.993,0.41421081488588857,0.30566787745870744,0.20301898430539372,0.20549482557741072,0.2820981255568501
EOS-5-02405,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnccn5)cn4)n23)c(F)c1F,GXPWLILSPDDJHO-UHFFFAOYSA-N,5,1,0.354,86,845,445.393,2.343,5,0.447,0.68,1.0,0.25914090877938456,0.28529573024467136,0.43682749640189156,0.37990884791995067,0.3402932458364745
EOS-5-02406,CCn1ccnc1-c1ccc(-c2nnc3cncc(CN(C)c4ncc(F)cn4)n23)cc1F,DXLPHXPRXNHXDB-UHFFFAOYSA-N,5,1,0.379,85,353,447.453,3.379,5,0.394,0.66,1.0,0.2537523130697005,0.30065622644095674,0.1731718182441231,0.15082927832225346,0.21960240901925845
EOS-5-02407,CNC(=O)c1ccc(-c2nnc3cncc(-c4nccnc4-c4cccc(CO)n4)n23)c(F)c1F,IUOJDFSIIAMTSX-UHFFFAOYSA-N,5,1,0.324,74,26,474.431,2.44,5,0.397,0.58,0.78,0.3020526351860736,0.33503529573024465,0.42204955109313963,0.36705846069494896,0.3565489856761017
EOS-5-02408,N#Cc1cc(-c2cncs2)ccc1-c1nnc2cncc(CNC(=O)C(F)(F)F)n12,ZEAIJHNGNNOBTD-UHFFFAOYSA-N,5,1,0.412,68,233,429.387,2.965,4,0.534,0.67,1.0,0.2832054005894044,0.3159995887876088,0.8549790967034473,0.7673651566033857,0.5553873106709616
EOS-5-02409,Fc1ccc(Oc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c(F)c1,BCIMIPRIQHIQNL-UHFFFAOYSA-N,5,1,0.447,13,995,408.393,4.38,5,0.439,0.79,1.0,0.6158933589198822,0.642048180385169,0.7786220958124872,0.7840278253718045,0.7051478651223357
EOS-5-02410,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncc(F)cn5)cnn4)n23)c(F)c1F,DRIWQEZFLVOUDV-UHFFFAOYSA-N,5,1,0.296,50,836,463.383,2.482,5,0.431,0.55,0.998,0.2618137893221849,0.3108423000479748,0.517767802069769,0.48631005414296485,0.3941834863957234
EOS-5-02411,CCc1noc(C(=O)NCc2cncc3nnc(-c4ccc(-c5ncsn5)c(OC)c4)n23)n1,FNNHAQLUARWPAP-UHFFFAOYSA-N,5,1,0.417,85,172,463.483,2.194,5,0.381,0.66,1.0,0.3151771640052087,0.1647590980741553,0.006356658213967514,0.0014992118429168666,0.1219480330340621
EOS-5-02412,Cn1ccnc1-c1ccc(-c2ccc(-c3nnc4cncc(COc5ccccn5)n34)cc2)nc1,AEHKTZCGJQLQRU-UHFFFAOYSA-N,5,1,0.38,41,120,460.501,4.228,6,0.367,0.67,1.0,0.30206120211089027,0.17740387910355698,0.4404684394489754,0.3603591254883147,0.32007316153793436
EOS-5-02413,COc1cc(-c2nnc3cncc(CNC(=O)c4cncnc4)n23)ccc1-c1cncs1,IHJXBCYELPCLCC-UHFFFAOYSA-N,5,1,0.474,82,172,444.48,2.643,5,0.424,0.8,1.0,0.2914896168871222,0.19018573093002536,0.19263587142759236,0.10497909670344734,0.19482257898704683
EOS-5-02414,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnccn5)n4)n23)c(F)c1F,JSCOWLNGEORQJP-UHFFFAOYSA-N,5,1,0.321,50,845,445.393,2.343,5,0.447,0.63,1.0,0.26448666986498526,0.26448666986498526,0.42917723254060725,0.3799174148447673,0.3345169967788363
EOS-5-02416,Cc1ccc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)nn2)cn1,FVWDXIJKDPHMCK-UHFFFAOYSA-N,5,1,0.327,14,920,414.404,3.065,5,0.404,0.75,1.0,0.43246693167020767,0.43885785758344187,0.4220581180179563,0.3735607566307998,0.41673591597560145
EOS-5-02417,COc1cc(-c2nnc3cncc(CNC4CCC(F)(F)C4)n23)ccc1-c1cscn1,JADZKDNKRXSIRY-UHFFFAOYSA-N,5,1,0.366,5,743,442.495,4.201,5,0.482,0.61,1.0,0.3099256390925913,0.14943286957713658,0.5309522993626208,0.5715680899184429,0.3904697244876979
EOS-5-02418,COc1cc(-c2nnc3cncc(CNCc4ccnc(C#N)n4)n23)ccc1-c1cncs1,HEBKQNXEHFMFOW-UHFFFAOYSA-N,5,1,0.324,60,41,455.507,2.875,5,0.394,0.68,1.0,0.31260708656020836,0.13815022959358508,0.2385031868960318,0.1508378452470701,0.21002458707422383
EOS-5-02419,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)cc4)n23)c(F)c1F,QEUCDCNBXKAMMZ-UHFFFAOYSA-N,5,1,0.31,61,648,458.432,3.257,5,0.44,0.76,1.0,0.26182235624700156,0.27998423685833734,0.5713624837228428,0.49551093139606606,0.4021700020560619
EOS-5-02420,Cc1ccc(-c2ccc(-c3nnc4cncc(CNC5CCC(F)(CO)CC5)n34)cc2F)nn1,HDICTLBQIDUMOU-UHFFFAOYSA-N,5,1,0.344,78,830,465.508,3.429,5,0.45,0.66,0.984,0.2943938043999726,0.21853368514837915,0.2205383455554794,0.47124083339044615,0.30117666712356933
EOS-5-02421,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)cn5)nc4)n23)cc1F,IJPCJKAHXVAAEV-UHFFFAOYSA-N,5,1,0.34,52,802,469.455,4.086,6,0.417,0.84,1.0,0.2804725515728874,0.3006647933657734,0.5208947296278528,0.6175553423343156,0.4298968542252073
EOS-5-02422,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)CC1,IXZMJVYDUMFDBU-UHFFFAOYSA-N,5,1,0.373,78,634,425.449,2.244,5,0.472,0.66,1.0,0.32497772599547664,0.2644952367898019,0.014358165992735247,0.05483688575149064,0.1646670036323761
EOS-5-02423,COc1cc(-c2nnc3cncc(CNC4CCc5cc(F)ccc54)n23)ccc1-c1ncsn1,PGQOENAGJLKKGC-UHFFFAOYSA-N,5,1,0.435,14,257,473.537,4.235,6,0.395,0.58,1.0,0.3302121170584607,0.22896819957508052,0.5611507093413748,0.5188472345966691,0.40979456514289625
EOS-5-02424,COc1cc(-c2nnc3cncc(CNC4CCNC4)n23)ccc1-c1ncc(Cl)cn1,MDYZQXCMFPJKPU-UHFFFAOYSA-N,5,1,0.351,5,75,436.907,2.362,5,0.475,0.72,1.0,0.3326451237063944,0.11712699609348229,0.0827650606538277,0.13629977383318484,0.1672092385717223
EOS-5-02425,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnccn5)nc4)n23)c(F)c1F,UICOCANNZXPTFZ-UHFFFAOYSA-N,5,1,0.318,50,736,445.393,2.343,5,0.447,0.73,1.0,0.2537608799945172,0.29068432595435545,0.41439928723185526,0.35388253032691386,0.32818175587691045
EOS-5-02426,CCOc1nnccc1-c1ccc(-c2nnc3cncc(CNC4CCC4)n23)cc1F,SXDAQFGMDQOCPQ-UHFFFAOYSA-N,5,1,0.337,78,830,419.464,3.428,5,0.491,0.69,1.0,0.3813652251387842,0.2906928928791721,0.10205777534096361,0.21717154410252895,0.24782185936536222
EOS-5-02427,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ncc(F)cn5)cc4)n23)cc1F,KHTCKNFJSNAMLV-UHFFFAOYSA-N,5,1,0.337,62,341,469.455,4.086,6,0.417,0.84,1.0,0.2886710986224385,0.27481838119388663,0.5034182030018505,0.5902097183195121,0.4142793502844219
EOS-5-02428,Clc1ccc(-c2nnc3cncc(OCCCc4ccc(Cl)cn4)n23)cc1,IUZKYOFWEMSCMJ-UHFFFAOYSA-N,5,1,0.635,90,400,400.269,4.505,4,0.446,0.82,1.0,0.9794822150640806,0.9853077239394147,0.6593448015900213,0.8063789322184909,0.8576284182030018
EOS-5-02429,COc1cc(-c2nnc3cncc(Cc4ccc(C#N)nn4)n23)ccc1-c1ncsn1,OFAUUMUESUIHOL-UHFFFAOYSA-N,5,1,0.372,85,172,427.453,2.571,5,0.415,0.69,1.0,0.33265369063121103,0.19459769721060927,0.18920053457610855,0.15876225070248784,0.21880354328010418
EOS-5-02431,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)CC4)n23)ccc1-c1ncsn1,GMZYUMHXNHWLJQ-UHFFFAOYSA-N,5,1,0.424,5,966,425.449,2.437,5,0.506,0.7,1.0,0.32232197930230966,0.26973819477760264,0.02252244534301967,0.05340620930710712,0.1669972071825098
EOS-5-02432,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)CC4)n23)ccc1-c1cncs1,BKNUBXMINSCGJO-UHFFFAOYSA-N,5,1,0.424,5,966,424.461,3.042,5,0.511,0.71,1.0,0.32498629292029335,0.285304297169488,0.06971763415804264,0.14323898293468576,0.20581180179562744
EOS-5-02433,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)CC4)n23)ccc1-c1ccsn1,KMWHTIIDXGLWBF-UHFFFAOYSA-N,5,1,0.416,5,966,424.461,3.042,5,0.511,0.7,1.0,0.3223305462271263,0.29070145980398876,0.059497292851757935,0.12972894249880063,0.20056456034541842
EOS-5-02434,COCCc1ccc(COc2cncc3nnc(-c4ccc(OC)c(-c5nccs5)c4)n23)cn1,DYAANXOSWIUNPZ-UHFFFAOYSA-N,5,1,0.522,89,61,474.546,4.086,5,0.315,0.74,0.997,0.367521074635049,0.1454406826125694,0.36325474607634844,0.19942087588239327,0.26890934480159
EOS-5-02435,Fc1ccc(CCCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)nc1F,KANAMXQEGUANGL-UHFFFAOYSA-N,5,1,0.534,90,385,402.792,3.525,4,0.362,0.69,1.0,0.8818278390788843,0.9667945994105955,0.6421766842574189,0.7150897813720787,0.8014722260297444
EOS-5-02436,O=C(CO)NCc1cncc2nnc(-c3ccc(-c4nsc(Cl)n4)cc3F)n12,RFFJREFSQHDTTQ-UHFFFAOYSA-N,5,1,0.438,68,753,419.829,1.711,4,0.505,0.76,1.0,0.3698341443355493,0.3056764443835241,0.11569631964909875,0.1459204304023028,0.2342818346926187
EOS-5-02437,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)nn4)n23)c(F)c1,DIFFHDSLVSKVMJ-UHFFFAOYSA-N,5,1,0.511,62,504,472.415,2.878,5,0.401,0.84,0.997,0.29149818381193887,0.31085086697279146,0.4441522171201426,0.4016431361798369,0.36203610102117745
EOS-5-02438,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)cc1,SVPOBOBUXMWGJC-UHFFFAOYSA-N,5,1,0.547,62,504,468.904,4.463,5,0.395,0.9,1.0,0.27760263175930366,0.2907100267288054,0.702470701117127,0.6321019806730176,0.4757213350695634
EOS-5-02439,COc1cc(-c2nnc3cncc(CNC4CCC4(F)F)n23)ccc1-c1cscn1,OMNJXCBEHAEVII-UHFFFAOYSA-N,5,1,0.378,5,743,428.468,3.811,5,0.503,0.61,1.0,0.3326622575560277,0.17741244602837367,0.667372010143239,0.6321105475978342,0.4523893153313686
EOS-5-02440,Cc1nscc1-c1ccc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)c(F)n1,WJABOLPLLCHUSG-UHFFFAOYSA-N,5,1,0.408,68,585,437.382,2.936,4,0.39,0.61,1.0,0.2591494757042012,0.2957216777465561,0.6390583236241518,0.512199300938935,0.426532194503461
EOS-5-02441,COc1cc(-c2nnc3cncc(CNC4CC(F)(F)C4)n23)ccc1-c1cncs1,JHELBKYRMBOXJC-UHFFFAOYSA-N,5,1,0.386,5,75,428.468,3.811,5,0.503,0.66,1.0,0.312615653485025,0.2289767664998972,0.7308957576588307,0.6753649509971901,0.48696328216023577
EOS-5-02442,COc1cc(-c2nnc3cncc(CNCc4cccc(C#N)n4)n23)ccc1-c1cncs1,WCRXIAMRMRAFDS-UHFFFAOYSA-N,5,1,0.337,60,41,454.519,3.48,5,0.398,0.71,1.0,0.309934206017408,0.13815879651840177,0.4182629703241724,0.30315776848742376,0.2923784353368515
EOS-5-02443,N#Cc1ccc(-c2nnc3cncc(CNc4ccc(F)c(Cl)c4)n23)cc1Cl,UOVDXLIQQRXFEF-UHFFFAOYSA-N,5,1,0.433,23,678,413.243,4.721,4,0.524,0.84,1.0,0.4212442601603728,0.5376345007196217,0.9734853676924131,0.982155095606881,0.7286298060448222
EOS-5-02444,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N(C)C)nc4)n23)cc1Cl,RBAMQBKWADRKMM-UHFFFAOYSA-N,5,1,0.341,0,688,435.875,2.568,4,0.528,0.84,1.0,0.27484408196833665,0.2493660475635666,0.17637584812555684,0.10082413816736345,0.2003525289562059
EOS-5-02445,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cc1F,ZXHOBLONNFHTBS-UHFFFAOYSA-N,5,1,0.356,0,688,424.386,3.822,5,0.527,0.88,0.999,0.2832139675142211,0.3973768076211363,0.7075080529093277,0.7441744911246659,0.5330683297923378
EOS-5-02446,COc1cc(-c2nnc3cncc(CNC4CCC(F)(F)CC4)n23)ccc1-c1cscn1,PJYQDTLIAMUYKY-UHFFFAOYSA-N,5,1,0.366,5,741,456.522,4.591,5,0.457,0.65,1.0,0.29952539236515663,0.1533136865190871,0.3295181961483106,0.46192858611472826,0.31107146528682067
EOS-5-02447,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCC(F)(CO)CC5)n34)cc2F)n1,OJJBTDBLXGQVBX-UHFFFAOYSA-N,5,1,0.344,78,830,466.496,2.824,5,0.446,0.64,1.0,0.2915067507367555,0.2238708793091632,0.10206634226578028,0.32492632444657665,0.23559257418956892
EOS-5-02448,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1ncc(C)cn1,QTXDVCUOOSKSID-UHFFFAOYSA-N,5,1,0.343,68,585,442.405,2.693,4,0.506,0.68,0.998,0.2776111986841204,0.20860461928586116,0.31864676855595914,0.19658522376807622,0.25036195257350424
EOS-5-02449,Clc1ccc(-c2nc(-c3cscn3)ccc2-c2nnc3cncc(Br)n23)cn1,ZAYQOMKCGNXDAS-UHFFFAOYSA-N,5,1,0.477,24,28,470.743,4.788,5,0.353,0.66,1.0,0.24306935782331573,0.41649818381193887,0.46186861764101156,0.5841871701733946,0.42640583236241525
EOS-5-02450,COc1cc(-c2nnc3cncc(COc4ccnc(C)c4)n23)ccc1-c1cscn1,DSHUTGXCGWKXRO-UHFFFAOYSA-N,5,1,0.371,14,257,430.493,4.206,5,0.399,0.77,1.0,0.32000890960180933,0.17316325131930643,0.5034267699266671,0.3281303543280104,0.3311823212939483
EOS-5-02451,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4ccc(-n5ncnn5)cn4)n23)cc1,URVMIVJCDBIPLQ-UHFFFAOYSA-N,5,1,0.343,66,416,452.404,2.471,5,0.418,0.74,1.0,0.272488177643753,0.21344493180727847,0.7832568021383044,0.6638424371187719,0.48325808717702695
EOS-5-02452,CC#Cc1cc(-c2nnc3cncc(-c4ccc(-c5cncnn5)cn4)n23)ccc1Cl,FFNGGLUBLYMAED-UHFFFAOYSA-N,5,1,0.318,50,216,424.855,3.73,5,0.407,0.73,0.995,0.26981529710095264,0.42091871701733946,0.7177026934411623,0.7229199506545131,0.5328391645534919
EOS-5-02453,COc1cc(-c2nnc3cncc(CNC4CCc5cccc(F)c54)n23)ccc1-c1cnsn1,CVRQHNFWYHOIBB-UHFFFAOYSA-N,5,1,0.389,14,257,473.537,4.235,6,0.395,0.52,1.0,0.32233911315194297,0.22387944623397985,0.5777619765608937,0.5487286683572065,0.4181773010760057
EOS-5-02454,COc1cc(-c2nnc3cncc(CNc4ccc(F)c(C#N)n4)n23)ccc1-c1cncs1,WIIURILPSYNYIG-UHFFFAOYSA-N,5,1,0.362,14,257,458.482,3.941,5,0.407,0.66,1.0,0.27761976560893703,0.20375573983962716,0.5578267425125077,0.41762045096292233,0.36420567473099863
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EOS-5-02456,COc1cc(-c2nnc3cncc(CNC4CCC(F)(C#N)C4)n23)ccc1-c1cnsn1,YHXNSABNUYSQRN-UHFFFAOYSA-N,5,1,0.356,5,741,450.503,3.192,5,0.476,0.54,0.999,0.2969724487697896,0.15332225344390377,0.31865533548077585,0.4145363580289219,0.2958715989308478
EOS-5-02457,Cc1cnc(-c2ccc(-c3nnc4cncc(CNC5CCC(F)(CO)C5)n34)cc2F)cn1,RIBXAWILQLJKLN-UHFFFAOYSA-N,5,1,0.34,78,830,451.481,3.039,5,0.465,0.59,0.983,0.2748526488931533,0.20376430676444385,0.4182715372489891,0.5747207182509766,0.36790230278939073
EOS-5-02458,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)C4)n23)ccc1-c1ncc(F)cn1,USZJFWMVTWVTEH-UHFFFAOYSA-N,5,1,0.35,5,741,463.517,3.037,5,0.41,0.52,1.0,0.320017476526626,0.13097971352203414,0.12988314714550064,0.24911760674388322,0.207499485984511
EOS-5-02459,Cc1cc(C(N)=O)ccc1-c1nnc2cncc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,RTAVDRPJUOJYRK-UHFFFAOYSA-N,5,1,0.388,0,862,430.443,2.897,5,0.505,0.86,1.0,0.2915153176615722,0.24437153039544926,0.30020217942567334,0.3031663354122404,0.28481384072373384
EOS-5-02460,COc1cc(-c2nnc3cncc(CNCc4cccc(C#N)n4)n23)ccc1-c1nccs1,YJBMAZZWLQUOOB-UHFFFAOYSA-N,5,1,0.33,60,41,454.519,3.48,5,0.398,0.74,1.0,0.3047683503529573,0.13816736344321842,0.3403810568158454,0.23463950380371462,0.25448906860393394
EOS-5-02461,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCC(F)(CO)C5)n34)cc2F)n1,KXBAOYXWBVWXOG-UHFFFAOYSA-N,5,1,0.34,78,830,452.469,2.434,5,0.459,0.55,0.991,0.27249674456856965,0.20861318621067781,0.23138407237338085,0.41762901788773904,0.28253075526009186
EOS-5-02463,C#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNC(=O)C(F)(F)F)n12,PZFJNFYPALCXDR-UHFFFAOYSA-N,5,1,0.39,66,233,428.399,3.075,4,0.505,0.71,1.0,0.29440237132478925,0.2697467617024193,0.8082293879788911,0.6844715920773079,0.5142125282708518
EOS-5-02464,Cc1nnc(-c2cc(-c3ccc(-c4nnc5cncc(Br)n45)cn3)ccc2F)s1,VDOJWVDAMQLDBD-UHFFFAOYSA-N,5,1,0.507,22,844,468.315,4.582,5,0.386,0.83,1.0,0.24045644575423206,0.37863237612226713,0.44047700637379206,0.5086697279144679,0.39205888904118974
EOS-5-02465,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnc(F)cn5)cn4)n23)cc1F,YKVFDAACWADFEN-UHFFFAOYSA-N,5,1,0.365,50,736,445.393,2.343,5,0.447,0.82,1.0,0.25915804262901787,0.2542748954835172,0.38946096909053524,0.33467548488794463,0.3093923480227537
EOS-5-02466,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(-c2ncccn2)nc1,JOUKBUVFTPWVCM-UHFFFAOYSA-N,5,1,0.317,14,257,452.497,4.092,6,0.415,0.79,1.0,0.2804811184977041,0.1858937015968748,0.18920910150092524,0.370125419779316,0.25642733534370504
EOS-5-02467,COc1cc(-c2nnc3cncc(CNCC4CC4(F)F)n23)ccc1-c1cscn1,AFAPTXJSUKECSF-UHFFFAOYSA-N,5,1,0.383,5,743,428.468,3.668,5,0.484,0.6,1.0,0.3020697690357069,0.24438009732026592,0.7207011171269961,0.6638510040435885,0.48275049688163935
EOS-5-02470,Fc1cc(-c2nnc3cncc(CCC4OCC(Cl)O4)n23)ccc1-c1csnn1,VKJWYOOWIBEWDJ-UHFFFAOYSA-N,5,1,0.418,78,75,432.868,3.319,5,0.447,0.5,1.0,0.24046501267904874,0.3691659241998492,0.7309043245836474,0.7769429785484202,0.5293695600027414
EOS-5-02471,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4F)n23)c(F)c1F,LHYOUKJQVWYCNI-UHFFFAOYSA-N,5,1,0.321,0,129,484.413,3.267,5,0.424,0.76,0.976,0.39484099787540267,0.42985401960112396,0.7050065108628607,0.7204012747584128,0.56252570077445
EOS-5-02472,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)cc1,AYSCWKJPTCAXMR-UHFFFAOYSA-N,5,1,0.371,66,416,451.416,3.076,5,0.424,0.84,1.0,0.27486121581796996,0.19460626413542595,0.8897351106846686,0.7840363922966213,0.5358097457336715
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EOS-5-02475,Fc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)c1,JKKJQFGZQNNZJU-UHFFFAOYSA-N,5,1,0.537,73,420,407.34,3.094,5,0.438,0.71,1.0,0.7355647316839148,0.5376430676444384,0.670104859159756,0.6724350627098896,0.6539369302994997
EOS-5-02476,COc1cc(-c2nnc3cncc(CN4CC(c5nccs5)C4)n23)ccc1-c1nccs1,VZTDRSJMZHWMHS-UHFFFAOYSA-N,5,1,0.404,14,257,461.576,3.979,6,0.378,0.7,1.0,0.2832225344390378,0.1946148310602426,0.027773970255637038,0.04820608594338976,0.13845435542457676
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EOS-5-02480,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)cc1Cl,NJFXDMSIXQGMGX-UHFFFAOYSA-N,5,1,0.357,74,845,443.858,2.718,5,0.449,0.81,1.0,0.24307792474813242,0.29071859365362207,0.35933966143513124,0.3442618737577959,0.3093495133986704
EOS-5-02481,O=C(NCc1cncc2nnc(-c3ccc(-c4nncs4)nc3F)n12)C(F)(F)F,RFWNLAMTSVTKOF-UHFFFAOYSA-N,5,1,0.398,68,585,424.343,2.022,4,0.394,0.65,1.0,0.29954252621478994,0.3301350147351107,0.5104173805770681,0.42392570762798987,0.3910051572887397
EOS-5-02482,NC(=O)c1ccc(-c2nnc3cncc(CNCc4cc(-c5ccccn5)ncn4)n23)cc1F,NIUBYUPEMFGBDG-UHFFFAOYSA-N,5,1,0.364,60,416,455.457,2.171,5,0.381,0.73,1.0,0.2591666095538346,0.23914570625728188,0.24918614214241655,0.2055033925022274,0.2382504626139401
EOS-5-02483,COc1cc(-c2nnc3cncc(CNCCc4cc(F)cc(F)c4)n23)ccc1-c1cncs1,HNFFQWCGPBLECE-UHFFFAOYSA-N,5,1,0.4,14,257,478.528,4.534,5,0.33,0.82,1.0,0.342248646425879,0.2907271605784388,0.7437290110341992,0.6844801590021246,0.5152962442601604
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EOS-5-02489,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cc(C(F)F)cnn1,AKHYAUUPJWFFGV-UHFFFAOYSA-N,5,1,0.33,78,830,425.418,3.967,5,0.504,0.72,0.996,0.28588684805702147,0.33996984442464534,0.5713710506476595,0.7417157837022822,0.48473588170790216
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EOS-5-02499,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc5ccN(CCC(F)C4)C5=O)n23)cc1F,SHYVTDQXTQJXDR-UHFFFAOYSA-N,5,1,0.382,78,792,448.433,2.827,5,0.663,0.53,0.38,0.26183949009663493,0.21345349873209513,0.22054691248029606,0.2404992803783154,0.23408479542183538
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EOS-5-02505,COc1cc(-c2nnc3cncc(CNCCc4ccc(F)nc4)n23)ccc1-c1cscn1,TUGIRUXNVKQAJZ-UHFFFAOYSA-N,5,1,0.355,14,257,461.526,3.79,5,0.278,0.77,1.0,0.2886882324720718,0.16476766499897197,0.44771605784387636,0.3538910972517305,0.31376576314166266
EOS-5-02506,COc1cc(-c2nnc3cncc(OCCc4cn(C)nc4C)n23)ccc1-c1cscn1,AAFRAIOENGNMFX-UHFFFAOYSA-N,5,1,0.511,15,777,447.524,3.587,5,0.376,0.69,1.0,0.25917517647865124,0.21346206565691178,0.19599410595572614,0.10944246453293126,0.1945184531560551
EOS-5-02507,Fc1cc(-c2nnc3cncc(CNCC4CCCCO4)n23)ccc1-c1ncc(Cl)cn1,XDSOERNKPKCGTF-UHFFFAOYSA-N,5,1,0.347,78,75,453.909,3.7,5,0.476,0.67,1.0,0.25376944691933384,0.23915427318209856,0.10729216640394763,0.34108354465081214,0.23532485778904805
EOS-5-02508,Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)nn4)n23)ccc1F,PNXAPZXNPUCAKG-UHFFFAOYSA-N,5,1,0.516,96,140,443.417,4.087,5,0.449,0.85,1.0,0.23206085943389762,0.3108680008224248,0.647873689260503,0.6467085874854362,0.4593777842505654
EOS-5-02509,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12)C(F)(F)F,WVNQTMZWNHEITN-UHFFFAOYSA-N,5,1,0.423,68,233,423.355,2.627,4,0.507,0.75,1.0,0.29698958261942293,0.339978411349462,0.80041635254609,0.7281200740182304,0.5413761051333014
EOS-5-02510,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4cc(-n5cnnc5)ncn4)n23)cc1,XSKOCRGCLHFZMX-UHFFFAOYSA-N,5,1,0.347,66,416,452.404,2.471,5,0.418,0.78,1.0,0.2618480570214516,0.20862175313549447,0.8215766568432595,0.6898944554862586,0.4954852306216161
EOS-5-02511,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ccccn5)n4)n23)c(F)c1F,XTYODZZDINWDJL-UHFFFAOYSA-N,5,1,0.32,74,836,444.405,2.948,5,0.454,0.68,1.0,0.24850078815708312,0.2542834624083339,0.5070934137482009,0.46194571996436157,0.36795584606949483
EOS-5-02512,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cncc(C(F)F)n1,RQWBSMYZEVKOKM-UHFFFAOYSA-N,5,1,0.341,78,830,425.418,3.967,5,0.504,0.74,0.993,0.28323110136385443,0.3256887807552601,0.47555856349804676,0.6410030155575355,0.4313703652936742
EOS-5-02513,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)c(Cl)c1F,RESDFLFBGFMFRE-UHFFFAOYSA-N,5,1,0.356,0,129,482.878,3.642,5,0.452,0.85,0.995,0.3628606675347817,0.4069546295661709,0.5903210883421287,0.6467171544102529,0.5017133849633335
EOS-5-02515,CNC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5ncccn5)n4)n23)c(F)c1F,VUJAKEJTTFCQME-UHFFFAOYSA-N,5,1,0.31,50,836,445.393,2.343,5,0.447,0.67,0.855,0.24573367144129943,0.25934651497498457,0.34416763758481256,0.309831402919608,0.28976980673017616
EOS-5-02516,O=C(NCc1cncc2nnc(-c3ccc(-c4cncs4)nc3F)n12)C(F)(F)F,VCHFGUWBFHLMRP-UHFFFAOYSA-N,5,1,0.417,68,585,423.355,2.627,4,0.4,0.65,1.0,0.28869679939688847,0.3641114385580152,0.7024792680419437,0.5934308820505791,0.4871795970118566
EOS-5-02517,CCc1cnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)cn2)nc1,TZIIXDHSDRLSRN-UHFFFAOYSA-N,5,1,0.394,68,585,428.378,2.384,4,0.52,0.85,1.0,0.2776283325337537,0.28531286409430473,0.48269481187033103,0.3159224864642588,0.34038962374066206
EOS-5-02518,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)s4)n23)c(F)c1F,ULQPNDPDZLNQSN-UHFFFAOYSA-N,5,1,0.324,63,129,454.462,3.05,5,0.483,0.74,0.861,0.22940511274073058,0.30068192721540676,0.2030275512302104,0.24050784730313207,0.24340560962236996
EOS-5-02519,COc1cc(-c2nnc3cncc(CNCc4cc(Cl)ncc4F)n23)ccc1-c1cnsc1,TYEUOGGNXJEYIZ-UHFFFAOYSA-N,5,1,0.339,14,41,481.944,4.401,5,0.344,0.53,1.0,0.3559728599821808,0.3738605989993832,0.7336885751490645,0.6899030224110754,0.538356264135426
EOS-5-02520,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1nccc(C)n1,MVNHZWJETLYZGS-UHFFFAOYSA-N,5,1,0.321,68,585,442.405,2.693,4,0.506,0.7,1.0,0.26185662394626824,0.21347063258172846,0.314937290110342,0.18853231444040847,0.2446992152696868
EOS-5-02521,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4cccc(-n5ccnc5)n4)n23)cc1,ZKDJQCVFLWLZOC-UHFFFAOYSA-N,5,1,0.353,14,416,450.428,3.681,5,0.425,0.77,1.0,0.2591837434034679,0.20863032006031115,0.9117092728394216,0.8270080871770269,0.551632855870057
EOS-5-02522,COc1cc(-c2nnc3cncc(COc4ccnc(C)c4)n23)ccc1-c1cncs1,FYQFVLGQCLGDRJ-UHFFFAOYSA-N,5,1,0.392,14,257,430.493,4.206,5,0.399,0.76,1.0,0.2944195051744226,0.1992495373860599,0.5209032965526694,0.3442704406826126,0.3397106949489411
EOS-5-02523,COc1cc(-c2nnc3cncc(CNC4CCCC4(F)F)n23)ccc1-c1ccsn1,NYMDCBCYGNSYMG-UHFFFAOYSA-N,5,1,0.366,5,743,442.495,4.201,5,0.482,0.6,1.0,0.29153245151120555,0.1417911726406689,0.5309608662874374,0.57473785210061,0.38475558563498047
EOS-5-02524,Fc1ccc(OCCCc2cncc3nnc(-c4ccc(-c5ccno5)nn4)n23)cn1,FFAGXFJOBHNNGT-UHFFFAOYSA-N,5,1,0.343,54,411,418.392,2.782,5,0.29,0.61,0.66,0.3584230004797478,0.3451014323898293,0.1509749160441368,0.18854088136522515,0.26076005756973475
EOS-5-02525,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c(F)c1,XEPIKGITTLLBCL-UHFFFAOYSA-N,5,1,0.464,62,504,485.45,4.775,5,0.36,0.85,1.0,0.41200911520800493,0.4165153176615722,0.82509766294291,0.7150983482968953,0.5921801110273457
EOS-5-02526,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ncc1-c1ncc(C)cn1,QVXUAVDCNNGYNT-UHFFFAOYSA-N,5,1,0.321,68,585,443.393,2.088,4,0.497,0.59,0.999,0.2748697827427867,0.16868274964018914,0.13895552052635185,0.08178843122472758,0.1660741210335138
EOS-5-02527,O=C(NCc1cncc2nnc(-c3ccc(-c4cccnn4)nc3F)n12)C(F)(F)F,JGCISYHDZBYTHU-UHFFFAOYSA-N,5,1,0.394,68,585,418.314,1.961,4,0.398,0.7,1.0,0.34459598382564594,0.38805599342060176,0.6646562949763553,0.5587434034678912,0.48901291892262355
EOS-5-02528,Clc1ccc(-c2nnc3cncc(OCCCc4cccc(Cl)n4)n23)cc1,DOQIXQKLDGTZMW-UHFFFAOYSA-N,5,1,0.615,48,400,400.269,4.505,4,0.352,0.86,1.0,0.9750959495579467,0.9833287643067644,0.6211791515317662,0.7816547871975875,0.8403146631485162
EOS-5-02530,COc1cc(-c2nnc3cncc(CNCc4ccc(Cl)nn4)n23)ccc1-c1cnc(C)s1,BCNRSNVXCQSTIV-UHFFFAOYSA-N,5,1,0.336,60,41,478.969,3.965,5,0.375,0.72,1.0,0.3374854362278117,0.2853214310191214,0.2529812898362004,0.20551195942704406,0.2703250291275444
EOS-5-02531,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNC(=O)C4CC=CC4)n23)cc1F,BLCYSFXEZXACJH-UHFFFAOYSA-N,5,1,0.4,78,753,431.475,3.396,5,0.473,0.74,1.0,0.27487834966760333,0.22898533342471386,0.18922623535055857,0.19942944280720992,0.22312984031252142
EOS-5-02532,COc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)ccc1-c1cscn1,ZPJHRISXUBZQBH-UHFFFAOYSA-N,5,1,0.357,62,341,486.532,4.622,6,0.376,0.83,1.0,0.4514255362894935,0.3833870193955178,0.46528682064286203,0.45882735933109453,0.43973168391474193
EOS-5-02533,FC(F)Oc1ccc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)cc1,HUBZYZIQGUEECX-UHFFFAOYSA-N,5,1,0.506,60,416,449.425,2.658,5,0.385,0.71,1.0,0.2485093550818998,0.22899390034953054,0.5446251113700226,0.4772119799876636,0.37483508669727916
EOS-5-02534,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)cc1,RHAJOWGWVQCZGP-UHFFFAOYSA-N,5,1,0.364,66,416,452.404,2.471,5,0.418,0.74,0.987,0.2669796449866356,0.18159310533890755,0.7460078130354328,0.6289493523404839,0.455882478925365
EOS-5-02535,COc1cc(-c2nnc3cncc(CNCc4cc5cnccc5[nH]4)n23)ccc1-c1cncs1,GOOCXVPKHWIEDJ-UHFFFAOYSA-N,5,1,0.308,60,149,468.546,4.09,6,0.363,0.59,1.0,0.2969981495442396,0.17742101295319032,0.46903913371256256,0.379925981769584,0.3308460694948941
EOS-5-02536,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(-c2cscn2)o1,HVMAQRWJKHNBEK-UHFFFAOYSA-N,5,1,0.333,52,830,446.511,4.956,6,0.397,0.74,1.0,0.2561767527928175,0.2086388869851278,0.24919470906723323,0.4491981358371599,0.2908021211705846
EOS-5-02537,C#CC1(F)CCC(NCc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)C1,IGPYQYJUFOKNLK-UHFFFAOYSA-N,5,1,0.351,5,743,448.527,3.907,5,0.451,0.58,1.0,0.27763689945857034,0.14945000342676992,0.4998629292029333,0.5325371804537044,0.36487175313549447
EOS-5-02538,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Oc5ncccn5)nc4)n23)c(C)c1,LNUXSNRDLUCWQR-UHFFFAOYSA-N,5,1,0.29,82,333,438.451,3.104,5,0.444,0.85,1.0,0.31518573093002533,0.10145809060379686,0.2705434857103694,0.12116201768213282,0.20208733123158112
EOS-5-02539,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNC4CCC(C(F)F)CC4)n23)cc1F,KCHQJDPYEIWBDJ-UHFFFAOYSA-N,5,1,0.337,78,830,455.488,4.244,5,0.471,0.7,1.0,0.2512507710232335,0.22388801315879653,0.4182801041738058,0.6260451648276335,0.37986601329586733
EOS-5-02540,Cn1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4F)n23)c1F,NVQJUNYEBFCMIY-UHFFFAOYSA-N,5,1,0.458,96,504,448.408,4.466,5,0.44,0.77,1.0,0.21018093345212802,0.3498218079638133,0.9087451168528545,0.8858799945171681,0.588656963196491
EOS-5-02541,COc1cc(-c2nnc3cncc(CNC(=O)C4(F)CC4)n23)ccc1-c1cnsc1,WJPQRFGESIXPON-UHFFFAOYSA-N,5,1,0.424,5,966,424.461,3.042,5,0.511,0.64,1.0,0.30477691727777395,0.2645038037146186,0.08536940579809471,0.17210095264203962,0.20668776985813173
EOS-5-02542,Fc1cccc(CCCNCc2cncc3nnc(-c4ccc(-c5ncsn5)cc4)n23)c1F,ISSJEQHTFCYVPQ-UHFFFAOYSA-N,5,1,0.396,14,291,463.517,4.31,5,0.346,0.76,1.0,0.26983243095058596,0.1946233979850593,0.5104259475018847,0.5587519703927079,0.3834084367075594
EOS-5-02543,O=C(Nc1cccc(F)c1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cc1,UJNQYVOXEORKKF-UHFFFAOYSA-N,5,1,0.474,62,504,478.409,5.321,5,0.273,0.81,1.0,0.25618531971763414,0.4968045370433829,0.9427986429991091,0.9121376190802549,0.6519815297100953
EOS-5-02544,FC(F)c1ccc(-c2nnc3cncc(CNCc4ccc(-c5ccncc5)nn4)n23)cn1,RRFCQMDNPXTHQI-UHFFFAOYSA-N,5,1,0.361,60,416,445.437,3.266,5,0.407,0.72,0.972,0.2669882119114523,0.177429579878007,0.5242358303063532,0.4524878349667603,0.3552853642656432
EOS-5-02545,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(C)nn5)nc4)n23)c(F)c1F,NJDZDICUCVYVJE-UHFFFAOYSA-N,5,1,0.3,74,26,459.42,2.652,5,0.435,0.7,1.0,0.2404735796038654,0.26976389555205266,0.4041104105270372,0.3379052155438284,0.3130632753066959
EOS-5-02546,CCN(Cc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12)c1ncc(F)cc1F,QPRPEORXDNCWOP-UHFFFAOYSA-N,5,1,0.394,14,189,449.49,4.615,5,0.377,0.68,1.0,0.23766362826399837,0.2542920293331506,0.35576725378658075,0.3896066068124186,0.3093323795490371
EOS-5-02547,CCc1nccc(CNCc2cncc3nnc(-c4ccc(-c5ncsn5)c(OC)c4)n23)c1F,KVZHMYXQKCFPGH-UHFFFAOYSA-N,5,1,0.358,60,172,476.541,3.705,5,0.362,0.65,1.0,0.30478548420259066,0.29075286135288875,0.26329586731546845,0.17740387910355698,0.2590595229936262
EOS-5-02548,COc1cc(-c2nnc3cncc(CNC4Cc5cnccc5O4)n23)ccc1-c1nccs1,AKMUCHRRKZVNEK-UHFFFAOYSA-N,5,1,0.321,60,257,457.519,3.369,6,0.414,0.52,1.0,0.2915410184360222,0.1309882804468508,0.45136556781577686,0.3127527242820917,0.2966618977451854
EOS-5-02549,Clc1ccc(-c2nnc3cncc(CNCc4ccc(-c5ccncc5)cn4)n23)cn1,CBOMBYSWBILVPV-UHFFFAOYSA-N,5,1,0.383,60,41,428.887,3.587,5,0.413,0.76,1.0,0.2887053663217052,0.21855081899801249,0.5071019806730176,0.5425176478651224,0.3892189534644644
EOS-5-02550,O=C(NCc1cncc2nnc(-c3ccc(-c4ccsc4)nc3F)n12)C(F)(F)F,DTPJRBKDYJXBIY-UHFFFAOYSA-N,5,1,0.417,68,585,422.367,3.232,4,0.403,0.72,1.0,0.29442807209923927,0.34983037488863,0.8178586114728257,0.7390857377835652,0.550300699061065
EOS-5-02551,O=C(NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12)C(F)(F)F,FHYQQMKWSFOKRD-UHFFFAOYSA-N,5,1,0.406,68,585,423.355,2.627,4,0.4,0.67,1.0,0.2832396682886711,0.34983894181344666,0.6890977314783086,0.5811287780138441,0.47582627989856763
EOS-5-02553,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(Cl)cn5)cn4)n23)c(F)c1F,NITVROPEMVHHEG-UHFFFAOYSA-N,5,1,0.37,50,845,479.838,2.997,5,0.417,0.62,0.986,0.30207833596052364,0.4069631964909876,0.5411383729696388,0.532545747378521,0.44568141319991783
EOS-5-02554,COc1cc(-c2nnc3cncc(CNCc4cccc(C#N)n4)n23)ccc1-c1cnsc1,AVMZVTFQGOUEMW-UHFFFAOYSA-N,5,1,0.337,60,41,454.519,3.48,5,0.398,0.55,1.0,0.28871393324652184,0.12418614214241656,0.4513741347405935,0.34427900760742924,0.3021383044342403
EOS-5-02555,COc1cc(-c2nnc3cncc(CNC4CCC(F)(F)CC4)n23)ccc1-c1ccsn1,JUCBZKYISOECKQ-UHFFFAOYSA-N,5,1,0.366,5,741,456.522,4.591,5,0.457,0.69,1.0,0.28048968542252073,0.14544924953738605,0.31494585703515865,0.4588359262559112,0.29993017956274415
EOS-5-02556,COc1cc(-c2nnc3cncc(CNC4CCC(F)(CO)CC4)n23)ccc1-c1cnsc1,WUYRBQNRSKDOGJ-UHFFFAOYSA-N,5,1,0.391,5,741,468.558,3.656,5,0.427,0.47,1.0,0.3047940511274073,0.14545781646220274,0.17318895209375643,0.3603676924131314,0.24595212802412447
EOS-5-02557,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)nc4)n23)cc1,RLHQQMSEVBGBKS-UHFFFAOYSA-N,5,1,0.554,62,504,467.464,3.604,5,0.408,0.88,1.0,0.2618651908710849,0.2443886642450826,0.5034439037763004,0.3670670276197656,0.3441911966280584
EOS-5-02558,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(C)F)n34)cc2Cl)cs1,QOTQUZDZRCZRFF-UHFFFAOYSA-N,5,1,0.457,78,753,430.896,3.851,4,0.519,0.68,1.0,0.25619388664245085,0.2748526488931533,0.38946953601535195,0.3637944623397985,0.3210776334726887
EOS-5-02559,COc1cc(-c2nnc3cncc(OCCC(C)(C)C)n23)ccc1-c1ccsn1,RJTYKGNJMLEPMW-UHFFFAOYSA-N,5,1,0.518,5,947,409.515,4.738,4,0.458,0.72,0.999,0.5931910081557125,0.43457439517510793,0.30398019326982384,0.13856144198478515,0.36757675964635733
EOS-5-02560,COc1cc(-c2nnc3cncc(CNC(=O)C(F)F)n23)ccc1-c1ccsn1,QPOFIEMUPKPHOA-UHFFFAOYSA-N,5,1,0.429,5,966,416.413,2.805,4,0.52,0.68,1.0,0.3948495648002193,0.31087656774724143,0.4652953875676787,0.3410921115756288,0.3780284079226921
EOS-5-02561,COc1cc(-c2nnc3cncc(CNCCc4ccc(Cl)nn4)n23)ccc1-c1ccoc1,RJWLEXLAQGBZQE-UHFFFAOYSA-N,5,1,0.351,14,41,461.913,3.836,5,0.348,0.69,1.0,0.28324823521348774,0.1494585703515866,0.35189500376944693,0.347534439037763,0.2830340620930711
EOS-5-02562,COc1cc(-c2nnc3cncc(OCc4ccccn4)n23)ccc1-c1cscn1,PNECNQSQKOXFGR-UHFFFAOYSA-N,5,1,0.654,1,61,416.466,3.897,5,0.415,0.73,1.0,0.3860170653142348,0.33998697827427865,0.45138270166541017,0.3219107669111096,0.37482437804125834
EOS-5-02563,CCNC(C)(C)C(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,VTDKDWGUQIYSPT-UHFFFAOYSA-N,5,1,0.377,5,966,451.556,2.928,4,0.424,0.78,1.0,0.2995510931396066,0.10146665752861353,0.09027825371804538,0.01768213282160236,0.12724453430196697
EOS-5-02564,CCOc1c(-c2cscn2)ccc(-c2nnc3cncc(CNC4CCCC4)n23)c1F,ORADCDFXANXUIN-UHFFFAOYSA-N,5,1,0.333,5,741,438.532,4.485,5,0.458,0.69,0.999,0.277645466383387,0.1570659995887876,0.048283188266739774,0.1587708176273045,0.16044136796655473
EOS-5-02565,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)n23)c(F)c1,COUUGMJZQSASBO-UHFFFAOYSA-N,5,1,0.452,83,504,452.424,4.86,5,0.42,0.87,1.0,0.18802686587622508,0.40233705708998696,0.9421132890137757,0.930136728120074,0.6156534850250155
EOS-5-02566,Fc1ccc(-c2nnc3cncc(OCc4ncccn4)n23)cc1-c1ncsn1,XMYQFSOEPGLUAB-UHFFFAOYSA-N,5,1,0.506,51,82,406.406,2.818,5,0.439,0.72,1.0,0.6719039133712562,0.7339113151942979,0.234939346172298,0.2554228634089507,0.47404435953670065
EOS-5-02567,CCOC1CCCC1NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)c(F)c3)n12,ONTPYBNLIHGBMH-UHFFFAOYSA-N,5,1,0.327,78,830,452.559,4.41,5,0.448,0.57,1.0,0.2618737577959016,0.1731718182441231,0.2783907888424371,0.37993454869440063,0.2733427283942156
EOS-5-02569,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1cnnc(F)c1,GRILGKXTHXVUAR-UHFFFAOYSA-N,5,1,0.404,5,966,419.42,2.422,5,0.511,0.83,1.0,0.35598142690699747,0.2697724624768693,0.09463881844972928,0.15084641217188677,0.21780978000137072
EOS-5-02570,Cc1nc(-c2ccc(-c3nnc4cncc(CN(C)c5ncc(Cl)cn5)n34)c(F)c2)cs1,ZCYDFRHEAKGRAO-UHFFFAOYSA-N,5,1,0.37,14,487,466.933,4.442,5,0.378,0.79,1.0,0.23767219518881502,0.3057021451579741,0.22055547940511275,0.24351483791378248,0.2518611644164211
EOS-5-02571,CCCC#CCCCCCc1cncc2nnc(-c3ccc(-c4cncnc4)c(OC)c3)n12,WDBRPHMZTZKYND-UHFFFAOYSA-N,5,1,0.392,5,741,440.551,5.163,4,0.264,0.68,1.0,0.29700671646905624,0.11412857240764855,0.1326930984853677,0.14324754985950244,0.17176898430539372
EOS-5-02572,O=C(NCc1cncc2nnc(-c3ccc(-c4ccsn4)nc3F)n12)C(=O)OC1CC1,YEJQCGKMIZFTDJ-UHFFFAOYSA-N,5,1,0.365,78,634,439.432,1.771,5,0.283,0.52,1.0,0.24309505859776576,0.23916284010691521,0.008575491741484477,0.010837159893084779,0.12541763758481256
EOS-5-02573,c1cnc(-n2ccnc2)c(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1,FFOWCDQJFOEJNA-UHFFFAOYSA-N,5,1,0.433,6,297,453.491,3.47,6,0.377,0.64,1.0,0.2645038037146186,0.16477623192378862,0.23852032074566515,0.20248783496676034,0.2175720478377082
EOS-5-02574,O=C(NCc1cncc2nnc(-c3ccc(-c4nccs4)cc3Cl)n12)C1CC1(F)F,GONLTIHMTZVXOD-UHFFFAOYSA-N,5,1,0.414,78,753,446.87,3.84,5,0.503,0.6,1.0,0.21280241244602838,0.3160167226372421,0.6891062984031252,0.7545147693783839,0.49311005071619496
EOS-5-02575,COCC(C)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3Cl)n12,TXADFVOCDMGHOT-UHFFFAOYSA-N,5,1,0.327,78,830,428.949,4.001,4,0.479,0.74,0.995,0.26188232472071826,0.279992803783154,0.4690477006373792,0.3954492495373861,0.3515930196696594
EOS-5-02576,COc1cc(-c2nnc3cncc(CNCCc4ccc(F)nc4)n23)ccc1-c1cccnn1,QLCBCMFNQSNXQI-UHFFFAOYSA-N,5,1,0.352,14,257,456.485,3.123,5,0.281,0.72,1.0,0.26699677883626893,0.1647847988486053,0.43308375025700774,0.34110067850044545,0.30149150161058186
EOS-5-02577,O=C(NCc1cncc2nnc(-c3ccc(-c4ncccn4)nc3F)n12)C(F)(F)F,BENFKHUOWPGRTB-UHFFFAOYSA-N,5,1,0.398,68,585,418.314,1.961,4,0.398,0.78,1.0,0.330229250908094,0.39738537454595296,0.6001302172572134,0.48332876430676447,0.4527684017545062
EOS-5-02578,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNCC4CC4COC)n23)cc1F,AUZOHJUTRJPKHG-UHFFFAOYSA-N,5,1,0.33,78,75,435.507,3.186,5,0.435,0.61,1.0,0.2562024535672675,0.22389658008361318,0.3632633130011651,0.39545781646220274,0.30970504077856215
EOS-5-02579,OCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(F)c4)n23)C1,OYCQVJPYHJGNSL-UHFFFAOYSA-N,5,1,0.33,78,830,467.936,3.682,5,0.427,0.58,1.0,0.2618908916455349,0.23367144129943115,0.23494791309711466,0.5157031731889521,0.3115533548077582
EOS-5-02580,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4csc(C)n4)c(F)c3)n12,LHGAXXOYWKSWFV-UHFFFAOYSA-N,5,1,0.349,78,75,438.532,3.734,5,0.452,0.6,0.997,0.24851792200671646,0.2290024672743472,0.4441693509697759,0.4772205469124803,0.3497275717908299
EOS-5-02581,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC(CO)C(C)C)n34)cc2F)n1,HCNHWJWBXWDLAV-UHFFFAOYSA-N,5,1,0.352,78,75,422.468,2.197,4,0.466,0.57,1.0,0.317644438352409,0.2593550818998012,0.4144078541566719,0.2939397573846892,0.32133678294839285
EOS-5-02582,COc1cc(-c2nnc3cncc(CNC(=O)Cc4cccs4)n23)ccc1-c1cncs1,WTBGGTBWOUSHPW-UHFFFAOYSA-N,5,1,0.388,14,257,462.56,3.844,5,0.395,0.83,1.0,0.29955966006442325,0.11713556301829896,0.1795541772325406,0.11184120348159825,0.17702265094921527
EOS-5-02583,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(=O)N(C)C)n34)c(F)c2)cs1,QTEKPSVBNWRWBP-UHFFFAOYSA-N,5,1,0.4,78,753,439.476,2.067,4,0.488,0.84,1.0,0.24852648893153315,0.21855938592282914,0.024407168802686587,0.00742752381605099,0.12473014186827495
EOS-5-02584,CNC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4F)n23)CC1,AHGIPBSUXUIVMR-UHFFFAOYSA-N,5,1,0.388,78,753,437.504,2.731,5,0.481,0.8,1.0,0.2645123706394353,0.18590226852169145,0.023481940922486465,0.07848159824549379,0.13809454458227674
EOS-5-02585,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(CNCc3ccc(-c4ncon4)nn3)n12,ZYJWRXUTEDXJES-UHFFFAOYSA-N,5,1,0.29,60,84,470.432,1.845,6,0.35,0.56,1.0,0.26452093756425193,0.25936364882461793,0.1073007333287643,0.12768144746761703,0.18971669179631281
EOS-5-02586,COc1cc(-c2nnc3cncc(CNC4CCC(F)(F)C4)n23)ccc1-c1cncs1,XVWOTPKPFXJVFC-UHFFFAOYSA-N,5,1,0.374,5,741,442.495,4.201,5,0.482,0.55,1.0,0.27488691659242,0.1454663833870194,0.5479919128229731,0.587168460009595,0.38887841820300184
EOS-5-02587,Cc1nc(-c2ccc(-c3nnc4cncc(CNCc5cncnc5)n34)cc2F)n(C)n1,LJJJKCRUOCFAEC-UHFFFAOYSA-N,5,1,0.358,85,610,430.451,2.114,5,0.436,0.67,1.0,0.25621102049208416,0.27486121581796996,0.12416044136796656,0.11184977040641492,0.1917706120211089
EOS-5-02588,CCc1nc(-c2nnc3cncc(CCC4CC4)n23)ccc1-c1ncc(C(F)F)cn1,MPBLRGKXPAZBEL-UHFFFAOYSA-N,5,1,0.344,78,878,421.455,4.486,5,0.437,0.63,0.038,0.304802618052224,0.33504386265506136,0.08277362757864437,0.2554314303337674,0.24451288465492427
EOS-5-02589,COc1cc(-c2nnc3cncc(CNCc4ccc5c(c4)OCO5)n23)ccc1-c1ccncc1,RRTBEHVEFUTKGK-UHFFFAOYSA-N,5,1,0.372,60,257,466.501,3.88,6,0.386,0.8,1.0,0.3126327873346583,0.10816599273524775,0.6973648139263929,0.5254609005551367,0.41090612363785894
EOS-5-02590,COc1cc(-c2nnc3cncc(OCC4CCOCC4)n23)ccc1-c1ccsn1,AEUULGUMJIEPOR-UHFFFAOYSA-N,5,1,0.477,5,548,423.498,3.729,5,0.467,0.72,1.0,0.34696045507504625,0.15707456651360427,0.06163902405592488,0.1341837434034679,0.17496444726201082
EOS-5-02591,COc1cc(-c2nnc3cncc(OCC4CCOCC4)n23)ccc1-c1cncs1,OHYXYUNJDMTOPA-UHFFFAOYSA-N,5,1,0.494,5,548,423.498,3.729,5,0.467,0.72,1.0,0.33509526420396135,0.1816016722637242,0.07401823041600987,0.14592899732711945,0.1841610410527037
EOS-5-02592,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1ccc(C)nn1,WNOQORWNOHZUIN-UHFFFAOYSA-N,5,1,0.33,66,585,442.405,2.693,4,0.506,0.7,0.847,0.2562195874169008,0.18591083544650813,0.3784953053252005,0.24051641422794873,0.26528553560413953
EOS-5-02593,Fc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)ncn4)n23)ccc1-c1ncon1,IOILXYOUIMBRMD-UHFFFAOYSA-N,5,1,0.315,60,869,481.455,2.517,6,0.359,0.56,1.0,0.33749400315262834,0.35946816530738124,0.25997190048660135,0.24352340483859913,0.3001143684463025
EOS-5-02594,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(CO)C(C)C)n34)c(F)c2)cs1,DNGJPDNZBSPCGY-UHFFFAOYSA-N,5,1,0.33,78,830,426.521,3.469,4,0.47,0.73,0.991,0.28325680213830445,0.24938318141319993,0.5967805496538963,0.44920670276197655,0.3946568089918443
EOS-5-02595,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(S(=O)(=O)C5CC5)cn4)n23)c(F)c1F,RPLDKDOPKWKSRI-UHFFFAOYSA-N,5,1,0.327,0,129,470.461,2.427,5,0.476,0.74,0.995,0.25919231032828455,0.26978102940168597,0.15385340278253717,0.3442875745322459,0.2567785792611884
EOS-5-02596,COC1(C)CCC(NCc2cncc3nnc(-c4ccc(-c5csc(C)n5)c(F)c4)n23)CC1,RONIXALTFNEHJM-UHFFFAOYSA-N,5,1,0.343,78,830,466.586,4.8,5,0.44,0.75,0.996,0.272513878418203,0.1859194023713248,0.12158179699814954,0.3031749023370571,0.22079749503118362
EOS-5-02597,Cn1nc(-c2cccnn2)cc1CNCc1cncc2nnc(-c3ccc(Cl)cc3)n12,DPUFHFZACZXKAU-UHFFFAOYSA-N,5,1,0.387,22,416,431.891,2.925,5,0.441,0.7,1.0,0.21838804742649578,0.3641200054828319,0.20666849427729422,0.2850815571242547,0.26856452607771913
EOS-5-02598,Cc1cc(-c2ccc(-c3nnc4cncc(COc5ccnc(F)c5)n34)nn2)ccn1,XRYVZQHWRAJOLP-UHFFFAOYSA-N,5,1,0.314,54,920,414.404,3.065,5,0.404,0.73,0.988,0.4032879857446371,0.41182064286203823,0.4258275649372901,0.3767048180385169,0.40441025289562055
EOS-5-02599,O=C(COCc1ccccc1)NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3F)n12,OAZZKODLTDWDFW-UHFFFAOYSA-N,5,1,0.419,14,309,475.509,3.282,5,0.367,0.79,1.0,0.29956822698923996,0.24939174833801658,0.2822202042354876,0.2791618120759372,0.2775854979096703
EOS-5-02600,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4ccncc4F)n23)cc1,FFPBRSANHQEQDI-UHFFFAOYSA-N,5,1,0.489,62,504,444.857,4.898,5,0.426,0.86,1.0,0.21281097937084503,0.30571071208279077,0.8439106298403125,0.8536512233568638,0.5540208861627031
EOS-5-02601,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncccn5)ncn4)n23)c(F)c1F,DFZBHPKRDFOCCJ-UHFFFAOYSA-N,5,1,0.297,50,836,445.393,2.343,5,0.447,0.67,0.805,0.23499931464601467,0.2391714070317319,0.37850387225001714,0.3249348913713933,0.29440237132478925
EOS-5-02602,COc1cc(-c2nnc3cncc(CNCC4CC4(F)F)n23)ccc1-c1nccs1,HLDSOMXKAGNDON-UHFFFAOYSA-N,5,1,0.383,5,743,428.468,3.668,5,0.484,0.6,1.0,0.2776540333082037,0.22390514700842987,0.659353368514838,0.6021434445891303,0.44076399835515045
EOS-5-02604,OCc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC(F)(CO)C5)n34)c(F)c2)cs1,PKDJNASRHGXJGQ-UHFFFAOYSA-N,5,1,0.327,78,830,472.521,2.889,5,0.38,0.41,0.943,0.2832653690631211,0.22901103419916385,0.3295267630731273,0.5254694674799534,0.3418181584538414
EOS-5-02605,COc1cccnc1COc1cncc2nnc(-c3cccc(-c4nncs4)c3)n12,UWRICPIMJAQTFL-UHFFFAOYSA-N,5,1,0.517,72,506,417.454,3.292,5,0.415,0.68,1.0,0.36752964155986567,0.32112260982797614,0.23495648002193134,0.15595229936262078,0.2698902576930985
EOS-5-02606,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4F)n23)c(F)c1F,JMUGZSJYDDQBNW-UHFFFAOYSA-N,5,1,0.398,83,504,477.421,5.575,5,0.343,0.87,1.0,0.25125933794805017,0.44308135151805905,0.9741107532040298,0.9655866630114454,0.6585095264203962
EOS-5-02607,COc1cc(-c2nnc3cncc(CNC(=O)C(F)F)n23)ccc1-c1cncs1,KYGUEULMLZBPNB-UHFFFAOYSA-N,5,1,0.438,5,966,416.413,2.805,4,0.52,0.73,1.0,0.39047186621890206,0.31088513467205814,0.49987149612775,0.36037625933794804,0.39040118908916455
EOS-5-02608,Fc1cc(-c2nnc3cncc(CNCc4cc(-c5cnccn5)ncn4)n23)ccc1-c1ncon1,HSMRXNMBPJDQMS-UHFFFAOYSA-N,5,1,0.311,60,869,481.455,2.517,6,0.359,0.55,1.0,0.34225721335069564,0.335052429579878,0.21018093345212802,0.202496401891577,0.27249674456856965
EOS-5-02609,COc1cc(-c2nnc3cncc(CNCC4CC4(F)F)n23)ccc1-c1cnsn1,WTNUQKIURUWMSO-UHFFFAOYSA-N,5,1,0.375,5,75,429.456,3.063,5,0.483,0.56,1.0,0.27489548351723664,0.2185679528476458,0.6031372078678637,0.5684497292851758,0.4162625933794805
EOS-5-02610,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1cnc(C)cn1,DDEVHLQVTCIDTR-UHFFFAOYSA-N,5,1,0.33,68,585,442.405,2.693,4,0.506,0.61,0.947,0.2485350558563498,0.19925810431087657,0.3931190459872524,0.24353197176341582,0.27111104447947365
EOS-5-02611,Cc1ccc(-c2cc(-c3nnc4cncc(OCCc5ccccn5)n34)ccn2)nn1,OIBDQJADGBJYBZ-UHFFFAOYSA-N,5,1,0.595,58,241,410.441,2.968,5,0.421,0.7,0.999,0.5460814885888562,0.40234562401480367,0.17319751901857308,0.1409944486327188,0.31565477006373793
EOS-5-02612,N#Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)n1,LGIKEDRCHRBUHA-UHFFFAOYSA-N,5,1,0.537,24,912,412.438,3.155,5,0.432,0.62,1.0,0.4372472757179083,0.4608405866630114,0.30398876019464055,0.26135117538208485,0.3658569494894113
EOS-5-02613,Fc1cc(-c2nnc3cncc(CNCc4cccc(-c5cnccn5)n4)n23)ccc1-c1ncon1,WSAMOGBDGNOBNI-UHFFFAOYSA-N,5,1,0.349,60,869,480.467,3.122,6,0.363,0.65,1.0,0.3302378178329107,0.3211311767527928,0.2783993557672538,0.2674422589267357,0.29930265231992326
EOS-5-02614,Fc1cc(NCc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)ccc1-c1nncs1,UOOBUUZXKZYKMR-UHFFFAOYSA-N,5,1,0.45,27,476,472.431,4.475,5,0.377,0.73,1.0,0.23768076211363168,0.36412857240764857,0.9154958536083887,0.82499485984511,0.5855750119936948
EOS-5-02615,COc1cc(-c2nnc3cncc(CNC(=O)C4(OC)CC4)n23)ccc1-c1ncc(C)cn1,VOFHFEJYIWHVEI-UHFFFAOYSA-N,5,1,0.394,5,966,445.483,2.361,5,0.461,0.71,1.0,0.3072099239257076,0.07544890686039339,0.020577753409636076,0.02787677335343705,0.10777833938729353
EOS-5-02616,COc1cc(-c2nnc3cncc(CNC(=O)CCc4ccnc(F)c4)n23)ccc1-c1cnoc1,JMMPDYGMAODHFX-UHFFFAOYSA-N,5,1,0.404,14,257,473.468,3.238,5,0.341,0.71,1.0,0.30481118497704063,0.18161023918854088,0.32226201082859296,0.23766362826399837,0.2615867658145432
EOS-5-02618,CCn1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)cc(-c2nccn2C)c1=O,GIEPJYLERHCPFB-UHFFFAOYSA-N,5,1,0.442,92,677,446.446,2.487,5,0.369,0.59,1.0,0.2457422383661161,0.19463196490987594,0.17320608594338976,0.15085497909670345,0.1911088170790213
EOS-5-02619,COc1cc(-c2nnc3cncc(CNC(=O)c4ccncc4)n23)ccc1-c1cscn1,HQBCVCCKNMCORC-UHFFFAOYSA-N,5,1,0.521,14,257,443.492,3.248,5,0.429,0.86,1.0,0.2749040504420533,0.1344236172983346,0.2822287711603043,0.15596086628743747,0.2118793262970324
EOS-5-02620,CCOc1cncc(Cc2cncc3nnc(-c4ccc(-c5cnsc5)c(OC)c4)n23)c1,MVYVTCFJYZGVGJ-UHFFFAOYSA-N,5,1,0.333,14,257,444.52,4.308,5,0.37,0.58,1.0,0.2645295044890686,0.1533393872935371,0.5411469398944555,0.37671338496333356,0.33393230416009867
EOS-5-02622,OCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(F)c4)n23)CC1,TUMLSSDBOQEZKL-UHFFFAOYSA-N,5,1,0.337,78,830,465.508,3.557,5,0.43,0.83,1.0,0.2618994585703516,0.19464053183469263,0.10730930025358097,0.3896151737372353,0.23836611609896513
EOS-5-02623,COc1cc(-c2nnc3cncc(CNCCc4ccc(F)nc4)n23)ccc1-c1cncs1,AHNHGQLPHBMBKJ-UHFFFAOYSA-N,5,1,0.373,14,257,461.526,3.79,5,0.278,0.72,1.0,0.2562281543417175,0.18592796929614144,0.4653039544924954,0.37013398670413267,0.31939851620862175
EOS-5-02624,Fc1cc(-c2nnc3cncc(CNCC4CC4C(F)F)n23)ccc1-c1ncsn1,QPKGVPUYRXZQLI-UHFFFAOYSA-N,5,1,0.351,78,75,431.447,3.44,5,0.483,0.52,1.0,0.23768932903844836,0.29076142827770546,0.7460163799602495,0.7673737235282023,0.5104602152011515
EOS-5-02625,CCCCCCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(CC)n3)n12,PHOTVRKTWRQQBF-UHFFFAOYSA-N,5,1,0.33,78,878,421.936,4.982,4,0.373,0.63,0.785,0.30994277294222466,0.28532999794393804,0.008584058666301145,0.02592351449523679,0.15744508601192517
EOS-5-02626,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)nc4)n23)cc1,ARNBKOVCNSEEJB-UHFFFAOYSA-N,5,1,0.556,62,504,453.437,3.344,5,0.42,0.87,1.0,0.24048214652868208,0.2086474539099445,0.5104345144267014,0.39867041326845315,0.3395586320334453
EOS-5-02627,O=C(NCc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12)C(F)(F)F,CDANJGMKHPBMJJ-UHFFFAOYSA-N,5,1,0.406,68,585,423.355,2.627,4,0.4,0.67,1.0,0.26984099787540267,0.3545079158385306,0.6241090398190665,0.5122164347885683,0.440168597080392
EOS-5-02629,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5nncc(C)n5)ncn4)n23)c(F)c1F,PDVBVOLCVDIBOI-UHFFFAOYSA-N,5,1,0.289,50,836,460.408,2.047,5,0.427,0.59,0.221,0.23500788157083133,0.23917997395654855,0.2385288876704818,0.20250496881639365,0.22880542800356382
EOS-5-02630,NC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccc(F)nn5)cn4)n23)c(F)c1,RKJZNTXDZFOUIP-UHFFFAOYSA-N,5,1,0.381,22,736,431.366,2.082,5,0.456,0.73,1.0,0.2512679048728668,0.25430059625796725,0.3746230553080666,0.3603848262627647,0.31014409567541634
EOS-5-02631,CCC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5cnsn5)c(OC)c4)n23)COC1,PHDFXECIMWYMCY-UHFFFAOYSA-N,5,1,0.374,5,966,451.512,2.361,5,0.455,0.61,1.0,0.27766260023302036,0.11714412994311561,0.013090261119868413,0.019335549311219245,0.10680813515180591
EOS-5-02632,CCc1cnc(-c2nnc3cncc(-c4ccc(Oc5cccnc5C#N)cn4)n23)cn1,AGRWGSHXEFMFED-UHFFFAOYSA-N,5,1,0.275,50,432,421.424,3.265,5,0.42,0.66,1.0,0.33267082448084434,0.23368000822424784,0.24551093139606606,0.1994380097320266,0.2528249434582962
EOS-5-02633,O=C(Nc1ccc(F)cc1)c1ccc(-c2cncc3nnc(-c4ccncc4F)n23)c(F)c1,SUZBBZSMHCHXKG-UHFFFAOYSA-N,5,1,0.412,45,533,446.392,4.523,5,0.439,0.84,0.998,0.20174251250771022,0.32569734768007674,0.9144164210814886,0.905352614625454,0.5868022239736823
EOS-5-02634,COc1cc(-c2nnc3cncc(CNCc4cccnc4C)n23)ccc1-c1cscn1,VHLXCZCCYRNBLV-UHFFFAOYSA-N,5,1,0.34,60,257,443.536,3.917,5,0.408,0.79,1.0,0.2887225001713385,0.10463641971078062,0.33683434994174494,0.20552052635186074,0.23392844904393117
EOS-5-02635,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)s4)n23)cc1,LGFGRTCWJNRDPT-UHFFFAOYSA-N,5,1,0.567,62,504,458.478,4.01,5,0.413,0.82,1.0,0.22095812487149613,0.2697895963265026,0.4755671304228634,0.3859399629908848,0.33806370365293675
EOS-5-02636,Cn1nc(-c2nnc3cncc(OCc4cc(F)cc(F)n4)n23)cc1-c1nccs1,PMXYXIUYAWFRRF-UHFFFAOYSA-N,5,1,0.456,95,694,426.412,2.901,5,0.399,0.67,0.987,0.26190802549516823,0.29573024467137277,0.2313926392981975,0.2554399972585841,0.26111772668083066
EOS-5-02637,O=C(Nc1ccc(F)cc1)c1ccc(-c2cncc3nnc(-c4c(F)cccc4F)n23)cc1,TZBQXGKKVYLATI-UHFFFAOYSA-N,5,1,0.44,83,504,445.404,5.128,5,0.416,0.91,1.0,0.1763672812007402,0.40697176341580427,0.939988691659242,0.9362106778150915,0.6148846035227196
EOS-5-02638,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(-c2cccnn2)nc1,HEWLVVXVWUAUPZ-UHFFFAOYSA-N,5,1,0.316,52,257,452.497,4.092,6,0.415,0.73,1.0,0.24854362278116648,0.17743814680282366,0.23853745459529846,0.4336577342197245,0.27454423959975327
EOS-5-02639,Fc1cc(-c2nnc3cncc(CNC4CCCC4)n23)ccc1-c1ncc(Cl)cn1,YFRKHBGSDMOOFB-UHFFFAOYSA-N,5,1,0.346,78,830,423.883,4.073,5,0.521,0.92,1.0,0.3020869028853403,0.23918854088136524,0.09240285107257899,0.37994311561921734,0.2534053526146255
EOS-5-02640,Cn1cncc1-c1ccc(-c2nnc3cncc(CNCCc4ccc(Cl)nn4)n23)cc1F,WZTAKBOELCGRHG-UHFFFAOYSA-N,5,1,0.315,85,487,463.908,3.107,5,0.37,0.66,1.0,0.23769789596326502,0.24439723116989925,0.3519035706942636,0.4079398259200877,0.3104846309368789
EOS-5-02641,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)cc1,MIEHERJATQIEHN-UHFFFAOYSA-N,5,1,0.356,66,416,451.416,3.076,5,0.424,0.72,1.0,0.24855218970598314,0.17318038516893977,0.8487423754369131,0.7390943047083819,0.5023923137550544
EOS-5-02642,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)cc1,PKUZFTZMFZBVRV-UHFFFAOYSA-N,5,1,0.353,66,416,452.404,2.471,5,0.418,0.8,0.999,0.2512764717976835,0.16869131656500583,0.7893307518333219,0.6579912274689877,0.4668224419162498
EOS-5-02643,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4cccc(-n5cnnn5)n4)n23)cc1,FWEUKJXDXYVGOQ-UHFFFAOYSA-N,5,1,0.363,66,416,452.404,2.471,5,0.418,0.75,1.0,0.2377064628880817,0.20378144061407716,0.7575217599890344,0.6495613734493866,0.462142759235145
EOS-5-02644,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)cc4C#N)n23)cc1F,BQKKJQKOPSCRJH-UHFFFAOYSA-N,5,1,0.347,62,648,455.478,3.952,5,0.44,0.8,1.0,0.21552669453772874,0.26979816325131933,0.6920618874648756,0.6260537317524502,0.45086011925159347
EOS-5-02645,COc1cc(-c2nnc3cncc(CCN4CCC(F)(F)C4)n23)ccc1-c1cncs1,YAVOQGIATBYTAF-UHFFFAOYSA-N,5,1,0.539,5,947,442.495,3.807,5,0.452,0.6,1.0,0.24575080529093277,0.18593653622095813,0.16029573024467136,0.32191933383592625,0.22847560139812212
EOS-5-02646,CCOCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12,QASIIHBOIJMKTA-UHFFFAOYSA-N,5,1,0.36,78,75,439.52,3.211,5,0.428,0.56,0.995,0.23771502981289835,0.21857651977246248,0.27840792269207043,0.3670755945445823,0.2754437667055034
EOS-5-02647,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3F)n12,JEPNMMYAAMBOCM-UHFFFAOYSA-N,5,1,0.321,78,75,438.532,3.734,5,0.452,0.57,0.99,0.23206942635871428,0.2336885751490645,0.43683606332670827,0.47124940031526286,0.34346086628743744
EOS-5-02648,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cccnc5)cn4)n23)c(F)c1F,LPYWHYFKFRBSKJ-UHFFFAOYSA-N,5,1,0.333,82,736,444.405,2.948,5,0.454,0.78,1.0,0.21281954629566172,0.2748697827427867,0.5446336782948393,0.4955194983208827,0.38196062641354256
EOS-5-02649,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1nncc(C)n1,PKOFXOXUYQFLFN-UHFFFAOYSA-N,5,1,0.324,68,585,443.393,2.088,4,0.497,0.57,0.576,0.24049071345349873,0.19464909875950928,0.19949797820574328,0.12341511890891646,0.18951322733191692
EOS-5-02650,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccccn5)cn4)n23)c(F)c1F,WEPCSYGJPFRXRI-UHFFFAOYSA-N,5,1,0.327,82,736,444.405,2.948,5,0.454,0.77,0.999,0.21282811322047837,0.28000137070797065,0.4827033787951477,0.43669899252964156,0.35305796381330956
EOS-5-02651,Fc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)n1,IDYIVNOCBYFTSD-UHFFFAOYSA-N,5,1,0.477,73,420,408.328,2.488,5,0.404,0.63,1.0,0.610093550818998,0.49681310396819955,0.3894781029401686,0.392510794325269,0.4722238880131588
EOS-5-02652,O=C(Cc1cccnc1)NCc1cncc2nnc(-c3ccc(-c4cccnn4)c(F)c3)n12,DCUJFYFSZBXITN-UHFFFAOYSA-N,5,1,0.427,14,487,440.442,2.641,5,0.432,0.83,1.0,0.2485607566307998,0.17744671372764032,0.32588582002604344,0.31593105338907546,0.2669560859433897
EOS-5-02653,COc1cc(-c2nnc3cncc(CN4CC4Cc4cccnc4)n23)ccc1-c1ncsn1,UDQPZUGVGYKXHM-UHFFFAOYSA-N,5,1,0.408,85,172,456.535,3.14,6,0.345,0.58,1.0,0.2512850387225002,0.16479336577342196,0.12989171407031733,0.16375676787060517,0.17743172160921117
EOS-5-02655,COc1cc(-c2nnc3cncc(CNCC4CC4(F)F)n23)ccc1-c1cnsc1,VWXBPBQQXPDBTC-UHFFFAOYSA-N,5,1,0.391,5,75,428.468,3.668,5,0.484,0.43,1.0,0.26453807141388525,0.22901960112398054,0.7647179768350353,0.7176769926667124,0.49398816050990335
EOS-5-02656,COc1cc(-c2ccsc2)ccc1-c1nnc2cncc(-c3ccc(C(N)=O)cc3)n12,WQVABOPPRDWVLC-UHFFFAOYSA-N,5,1,0.361,62,697,427.489,4.294,5,0.451,0.82,1.0,0.31519429785484204,0.12768144746761703,0.6390668905489686,0.5122250017133849,0.39854190939620315
EOS-5-02657,COc1cc(-c2nnc3cncc(CNCC4CC4(F)F)n23)ccc1-c1ccsn1,UMIPVIOYVUGRHQ-UHFFFAOYSA-N,5,1,0.383,5,743,428.468,3.668,5,0.484,0.61,1.0,0.2670053457610856,0.22391371393324652,0.7075166198341444,0.6609039819066548,0.46483491535878285
EOS-5-02658,COc1cc(-c2nnc3cncc(CNCc4cnc(C(F)F)nc4)n23)ccc1-c1cnsc1,WTWCBVQRXVZOPO-UHFFFAOYSA-N,5,1,0.364,60,41,480.504,3.941,5,0.356,0.58,1.0,0.3446045507504626,0.24940031526283327,0.5309694332122541,0.3701425536289494,0.37377921321362484
EOS-5-02659,Fc1cc(F)cc(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)c1,CPZISDATBNCELY-UHFFFAOYSA-N,5,1,0.571,73,16,407.34,3.094,5,0.438,0.69,1.0,0.6750137070797066,0.510031868960318,0.6565948187238709,0.6551555753546707,0.6241989925296416
EOS-5-02660,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)c(F)n1,ORFYFUISWXLLOA-UHFFFAOYSA-N,5,1,0.484,62,504,458.884,5.207,5,0.374,0.84,1.0,0.18803543280104174,0.3641371393324652,0.7915238845863889,0.776951545473237,0.5301620005482832
EOS-5-02661,CCC(COC)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)c(F)c3)n12,XTQHFMDAOGPJBB-UHFFFAOYSA-N,5,1,0.35,78,830,426.521,3.877,4,0.461,0.66,1.0,0.26701391268590224,0.2543091631827839,0.39683709135768624,0.3159396203138921,0.30852494688506615
EOS-5-02662,O=C(NCc1cncc2nnc(-c3ccc(-c4ccncc4)nc3F)n12)C(F)(F)F,ZFDOVGCJKFCSOJ-UHFFFAOYSA-N,5,1,0.417,68,585,417.326,2.566,4,0.405,0.82,1.0,0.32753923651566036,0.4069803303406209,0.8162394626824755,0.7229285175793297,0.5684218867795217
EOS-5-02663,N#Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)n1,NSBMFJZPTHWMCL-UHFFFAOYSA-N,5,1,0.537,24,912,412.438,3.155,5,0.432,0.64,1.0,0.4324754985950243,0.4388664245082585,0.3706565691179494,0.31880954012747587,0.3902020080871771
EOS-5-02664,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cccnc5)nn4)n23)c(F)c1F,OVSSCHCXBBYKHS-UHFFFAOYSA-N,5,1,0.361,74,836,445.393,2.343,5,0.447,0.67,0.999,0.2101895003769447,0.27487834966760333,0.3820677129737509,0.35707799328353096,0.3060533890754574
EOS-5-02665,COc1cc(-c2nnc3cncc(COc4cc(C)ccn4)n23)ccc1-c1cnsc1,SOTGAKHVIHYPRV-UHFFFAOYSA-N,5,1,0.38,14,257,430.493,4.206,5,0.399,0.59,1.0,0.26702247961071895,0.19019429785484201,0.5177763689945857,0.35073846891919674,0.33143290384483587
EOS-5-02666,Cn1cc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)c2)nn1,KWPNBXBRRLFCPQ-UHFFFAOYSA-N,5,1,0.414,68,233,420.33,1.904,4,0.506,0.83,1.0,0.2995767939140566,0.34510999931464603,0.7360187786991982,0.6232180796381331,0.5009809128915085
EOS-5-02667,Cn1cc(-c2cc(-c3nnc4cncc(OCc5cccc(Cl)n5)n34)ccn2)cn1,CFDZTHOPTQJURH-UHFFFAOYSA-N,5,1,0.529,4,329,418.848,3.214,5,0.404,0.75,1.0,0.3048197519018573,0.3973939414707697,0.44417791789459254,0.4272925090809403,0.39342103008703994
EOS-5-02668,COc1cc(-c2nnc3cncc(CNCCc4ccc(Cl)cc4)n23)ccc1-c1nncs1,ZLPNNBUVSXRCJT-UHFFFAOYSA-N,5,1,0.4,14,257,477.981,4.304,5,0.333,0.82,1.0,0.304828318826674,0.2645123706394353,0.4368446302515249,0.4239342745528065,0.3575298985676102
EOS-5-02670,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5ccsc5)cc4C#N)n23)CC1,ISCMVELAXCYLEO-UHFFFAOYSA-N,5,1,0.369,5,753,430.493,3.187,5,0.504,0.69,1.0,0.28327393598793776,0.1533479542183538,0.12159036392296621,0.29394832430950585,0.2130401446096909
EOS-5-02671,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCC(CO)CC5)n34)cc2F)n1,CGCFNHURXVMVFB-UHFFFAOYSA-N,5,1,0.333,78,830,448.506,2.732,5,0.463,0.73,1.0,0.24856932355561648,0.1609468165307381,0.037557398396271674,0.1939808786238092,0.16026360427660888
EOS-5-02672,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)c(OC)c4)n23)cc1,RWPLDKCYJTVBQK-UHFFFAOYSA-N,5,1,0.345,62,697,455.543,4.945,5,0.392,0.88,1.0,0.277671167157837,0.10464498663559729,0.5777705434857103,0.4176375848125557,0.3444310705229251
EOS-5-02673,O=C(CO)NCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(F)c3)n12,NQJNFWWXOUBCOI-UHFFFAOYSA-N,5,1,0.442,68,753,413.8,1.649,4,0.51,0.86,1.0,0.437255842642725,0.3108937015968748,0.26720238503186894,0.3031834692618738,0.32963384963333564
EOS-5-02674,OCC1(F)CCC(NCc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)C1,XQXKGUHUCYGVDJ-UHFFFAOYSA-N,5,1,0.32,78,830,443.483,2.792,5,0.473,0.52,0.883,0.235016448495648,0.19465766568432596,0.28223733808512097,0.5122335686382017,0.3060362552258241
EOS-5-02675,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cccnc5)nn4)n23)c(F)c1F,QEBFDNIYXOJPAE-UHFFFAOYSA-N,5,1,0.333,74,836,445.393,2.343,5,0.447,0.75,0.998,0.21283668014529505,0.2593722157494346,0.3706651360427661,0.3570865602083476,0.29999014803646085
EOS-5-02676,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5ncccn5)n4)n23)c(F)c1F,CUCWMLUJUHTLEZ-UHFFFAOYSA-N,5,1,0.314,74,836,444.405,2.948,5,0.454,0.75,0.998,0.21019806730176135,0.269806730176136,0.45503221163731067,0.3986789801932698,0.33342899732711945
EOS-5-02677,FC1(F)CC1CNCc1cncc2nnc(-c3ccc(-c4nccs4)cc3Cl)n12,IAPXGAZVEDEXEM-UHFFFAOYSA-N,5,1,0.34,78,75,432.887,4.313,5,0.491,0.57,1.0,0.21020663422657804,0.33014358165992735,0.8104824892056748,0.8702453567267494,0.5552695154547325
EOS-5-02678,Fc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1ncc(Cl)cn1,NEFWSKFFOHOLAX-UHFFFAOYSA-N,5,1,0.375,78,75,439.882,3.309,5,0.51,0.89,1.0,0.25129360564731684,0.16480193269823865,0.15098348296895348,0.379951682544034,0.23675767596463573
EOS-5-02679,COc1cc(-c2nnc3cncc(CNCCc4cc(F)cc(F)c4)n23)ccc1-c1cnsc1,NAJNJDGSMKXZJP-UHFFFAOYSA-N,5,1,0.4,14,257,478.528,4.534,5,0.33,0.59,1.0,0.3152028647796587,0.24940888218764992,0.7717428551847029,0.717685559591529,0.5135100404358851
EOS-5-02680,Fc1ncc(F)c(COc2cncc3nnc(-c4cncc(-c5ncon5)c4)n23)n1,HPBGAEUORZRNRW-UHFFFAOYSA-N,5,1,0.443,2,131,409.316,1.883,5,0.397,0.73,1.0,0.5616818586800082,0.44775032554314304,0.2492032759920499,0.24354053868823247,0.37554399972585845
EOS-5-02681,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3cnc(Cl)cn3)n12,ILUXVMIWTICELF-UHFFFAOYSA-N,5,1,0.354,85,487,453.894,3.182,5,0.417,0.63,0.999,0.21839661435131244,0.2444057980947159,0.3368429168665616,0.4210729216640395,0.30517956274415736
EOS-5-02682,CC#Cc1cc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)s4)n23)ccc1Cl,KRUBNDPZXMXYKF-UHFFFAOYSA-N,5,1,0.327,63,999,433.924,4.437,5,0.483,0.75,0.991,0.22381947776026317,0.2800099376327873,0.37067370296758273,0.4955280652456994,0.34250779590158315
EOS-5-02683,Cc1nc(-c2nnc3cncc(CN(C)Cc4ccc(F)nc4)n23)ccc1-c1nccs1,VIILZDWNXBKKKG-UHFFFAOYSA-N,5,1,0.368,85,920,446.515,3.784,5,0.367,0.74,1.0,0.2102152011513947,0.25938078267425124,0.1827753409636077,0.16146939894455486,0.20346018093345214
EOS-5-02684,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC(F)(CO)C5)n34)cc2F)n(C)n1,OPFYGYZXXAYUOP-UHFFFAOYSA-N,5,1,0.358,78,830,454.485,2.377,5,0.461,0.51,0.89,0.23207799328353093,0.19466623260914262,0.13896408745116853,0.30655883763964087,0.21806678774587074
EOS-5-02685,CCc1ccc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)cn2)nn1,XZAIDKCJNCACEP-UHFFFAOYSA-N,5,1,0.376,66,585,428.378,2.384,4,0.52,0.79,1.0,0.2513021725721335,0.2593893495990679,0.46187718456582827,0.31594818723870877,0.3221292234939346
EOS-5-02686,COc1cc(-c2nnc3cncc(CNCc4ncc(C#N)cn4)n23)ccc1-c1cncs1,JYDWIKHDGOHPPM-UHFFFAOYSA-N,5,1,0.343,60,41,455.507,2.875,5,0.394,0.72,1.0,0.2592008772531012,0.13443218422315126,0.25298985676101704,0.1885494482900418,0.20879309163182783
EOS-5-02687,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4F)n23)cc1,DROJWLHMEDFRBX-UHFFFAOYSA-N,5,1,0.349,62,3,458.522,4.779,5,0.41,0.82,1.0,0.2017510794325269,0.2957388115961894,0.5140925913234186,0.41764615173737235,0.3573071585223768
EOS-5-02688,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5)cc4)n23)cc1F,HNEKMSOFIPUQLO-UHFFFAOYSA-N,5,1,0.423,62,504,466.476,4.209,5,0.404,0.91,1.0,0.23502501542046467,0.2391971078061819,0.6534593242409704,0.5122421355630183,0.40998089575765884
EOS-5-02689,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNCC4CC4(F)F)n23)cc1F,RGJWICKKMOFYCA-UHFFFAOYSA-N,5,1,0.337,78,75,427.434,3.559,5,0.488,0.56,1.0,0.23503358234528135,0.32570591460489345,0.7283599479130971,0.7366013295867315,0.5064251936125008
EOS-5-02691,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCC5(C)COC5)n34)cc2F)n1,MTHHDVCCEUJKEU-UHFFFAOYSA-N,5,1,0.354,78,75,420.452,2.217,5,0.507,0.65,1.0,0.30483688575149065,0.31602528956205883,0.08038345555479405,0.13203344527448427,0.20831976903570695
EOS-5-02692,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5ncsn5)cc4F)n23)cc1,DLEDHNLACCDSHE-UHFFFAOYSA-N,5,1,0.367,62,124,445.483,3.866,5,0.441,0.8,1.0,0.20464670002056062,0.27488691659242,0.4005894044273867,0.34429614145706255,0.30610479062435747
EOS-5-02693,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cncnc5)cn4)n23)c(C)c1F,JBSJGXRARBLJBO-UHFFFAOYSA-N,5,1,0.33,82,845,441.43,2.512,5,0.451,0.71,1.0,0.2128452470701117,0.2593979165238846,0.3335703515865945,0.24913474059351656,0.2637370639435268
EOS-5-02694,O=C(NCc1cncc2nnc(-c3ccc(-c4cnsc4)nc3F)n12)C(F)(F)F,JZDIUMAYJRPRCF-UHFFFAOYSA-N,5,1,0.417,68,585,423.355,2.627,4,0.4,0.63,1.0,0.2698495648002193,0.31090226852169145,0.7336971420738811,0.6349976012610513,0.4873616441642108
EOS-5-02696,COc1cc(-c2nnc3cncc(CNC(=O)C4(C)COC4)n23)ccc1-c1cncs1,PTGUBVMZFGOYCH-UHFFFAOYSA-N,5,1,0.396,5,966,436.497,2.576,5,0.495,0.69,1.0,0.2670310465355356,0.13818449729285176,0.05013364402714002,0.04417963127955589,0.12488220478377081
EOS-5-02697,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cc(Cl)ncn1,KGGMYGXJVMWZAT-UHFFFAOYSA-N,5,1,0.348,5,741,421.892,3.552,5,0.476,0.83,1.0,0.327547803440477,0.18594510314577478,0.1389726543759852,0.27917037900075387,0.2329089849907477
EOS-5-02698,COC1CCCC1NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3F)n12,ZEBLRYJEKUHYCH-UHFFFAOYSA-N,5,1,0.321,78,830,438.532,4.019,5,0.49,0.61,1.0,0.24575937221574942,0.17318895209375643,0.29297169488040575,0.3986875471180865,0.27765189157699954
EOS-5-02699,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cncs5)c(OC)c4)n23)cc1,ZCDBPEPUAMNACA-UHFFFAOYSA-N,5,1,0.345,62,697,456.531,4.34,5,0.408,0.82,1.0,0.269858131725036,0.11413713933246522,0.4404855732986087,0.27614625454047015,0.275156774724145
EOS-5-02700,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ncccn5)cc4)n23)cc1F,ZDUSVCXVDAIDIJ-UHFFFAOYSA-N,5,1,0.337,62,341,451.465,3.947,6,0.435,0.85,1.0,0.2128538139949284,0.2444143650195326,0.3968456582825029,0.46824240970461245,0.3305890617503941
EOS-5-02701,COc1c(-c2ncc(C)s2)ccc(-c2nnc3cncc(CNC4CCCC4)n23)c1F,IYEVCQFVPXJIFA-UHFFFAOYSA-N,5,1,0.336,5,741,438.532,4.403,5,0.481,0.67,1.0,0.26454663833870196,0.1276900143924337,0.028784867384003838,0.09089507230484545,0.12797914810499622
EOS-5-02702,COc1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1-c1ccc(Cl)cn1,GGONDTZCRLIYOQ-UHFFFAOYSA-N,5,1,0.484,87,141,494.342,4.58,5,0.324,0.68,1.0,0.7082362415187444,0.7061030772393941,0.564551778493592,0.5715766568432595,0.6376169385237476
EOS-5-02703,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cc(-c2cccnn2)ncn1,IAIFERUIRYVQOH-UHFFFAOYSA-N,5,1,0.311,52,830,453.485,3.487,6,0.416,0.75,0.999,0.235042149270098,0.177455280652457,0.13570865602083476,0.2969724487697896,0.21129463367829482
EOS-5-02704,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)cc1,QBESDNMHMHWPOY-UHFFFAOYSA-N,5,1,0.34,60,416,451.416,3.076,5,0.424,0.78,1.0,0.23505071619491466,0.17746384757727365,0.8763707079706669,0.7623021040367349,0.5127968439448976
EOS-5-02705,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cncc(Cl)c1,IZSDKRFEXCARJI-UHFFFAOYSA-N,5,1,0.37,5,741,420.904,4.157,5,0.504,0.84,1.0,0.337502570077445,0.1902028647796587,0.26721095195668565,0.4649184428757453,0.3149587074223837
EOS-5-02706,Cc1cc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)nnc1Cl,OIPRWJPYUFRCQA-UHFFFAOYSA-N,5,1,0.337,78,830,423.883,3.991,5,0.522,0.82,1.0,0.27252244534301967,0.27489548351723664,0.20667706120211088,0.4682509766294291,0.3055864916729491
EOS-5-02707,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1ccncn1,LUYIIKXEUIEERW-UHFFFAOYSA-N,5,1,0.33,68,585,428.378,2.384,4,0.52,0.74,0.996,0.2537780138441505,0.23369714207388115,0.4441864848194092,0.3065674045644575,0.30955726132547456
EOS-5-02708,CCOc1cc(-c2nnc3cncc(COc4cccnn4)n23)ccc1-c1nccs1,SCWIIQSXKTZAMV-UHFFFAOYSA-N,5,1,0.346,14,257,431.481,3.683,5,0.385,0.67,1.0,0.25131073949695015,0.19926667123569325,0.234965046946748,0.14814783085463643,0.20842257213350696
EOS-5-02709,COc1cc(-c2nnc3cncc(CNC(=O)COc4ccccc4)n23)ccc1-c1cccnc1,KTOZXQYKIUHHBO-UHFFFAOYSA-N,5,1,0.413,79,955,466.501,3.557,5,0.373,0.84,1.0,0.27491261736687,0.12769858131725037,0.4077599204989377,0.2909841683229388,0.2753388218764992
EOS-5-02710,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)cc1,MCROQZVAHQFAIJ-UHFFFAOYSA-N,5,1,0.34,60,416,451.416,3.076,5,0.424,0.78,1.0,0.2404992803783154,0.1609553834555548,0.8406123637858954,0.7255842642724968,0.4919128229730656
EOS-5-02711,COc1cc(F)ccc1-c1nnc2cncc(-c3ccc(C(=O)N4CCCC4)c(F)c3)n12,KWSCTVIOHJVZHX-UHFFFAOYSA-N,5,1,0.365,0,21,435.434,3.981,5,0.485,0.87,1.0,0.21286238091974505,0.280018504557604,0.09464738537454595,0.30319203618669044,0.22268007675964638
EOS-5-02712,CCn1cncc1-c1ccc(-c2nnc3cncc(COc4ccnc(F)c4)n23)nn1,DOZATZGENSBCAO-UHFFFAOYSA-N,5,1,0.291,53,920,417.408,2.578,5,0.388,0.58,0.935,0.3422657802755123,0.330152148584744,0.2101895003769447,0.1911880611335755,0.2684488725926941
EOS-5-02713,Cc1nnc(-c2ccc(-c3nnc4cncc(CNC5CCC(F)(CO)C5)n34)c(F)c2)s1,XZMNFISVPHYTCX-UHFFFAOYSA-N,5,1,0.316,78,830,457.51,3.1,5,0.459,0.51,0.996,0.23505928311973134,0.18161880611335754,0.19264443835240902,0.39869611404290317,0.25200466040710023
EOS-5-02714,COc1cc(-c2nnc3cncc(CNC(=O)C4(O)CCC4)n23)ccc1-c1cnsn1,ZNQFQYFVTQILBI-UHFFFAOYSA-N,5,1,0.377,5,966,437.485,1.85,5,0.468,0.62,1.0,0.3048454526763073,0.056593105338907546,0.007693098485367692,0.018161880611335755,0.09682338427797958
EOS-5-02715,OCCn1nccc1-c1ccc(-c2nnc3cncc(COc4ccnc(F)c4)n23)nn1,SHPIYDKVXGDLDX-UHFFFAOYSA-N,5,1,0.303,53,920,433.407,1.55,5,0.38,0.62,0.656,0.24050784730313207,0.20865602083476115,0.12990028099513398,0.1385700089096018,0.17940853951065724
EOS-5-02716,COc1cc(-c2nnc3cncc(CNC(=O)C4(OC)CC4)n23)ccc1-c1cccs1,KYLAGVXQNYXHEG-UHFFFAOYSA-N,5,1,0.388,5,966,435.509,3.324,5,0.479,0.73,1.0,0.2776797340826537,0.11130148721814817,0.05393735864574053,0.10712939483243095,0.13751199369474332
EOS-5-02717,COc1cc(-c2nnc3cncc(CNCCc4ccc(Cl)cn4)n23)ccc1-c1cnsc1,JYZLUSJKSAXXOR-UHFFFAOYSA-N,5,1,0.362,14,41,477.981,4.304,5,0.333,0.57,1.0,0.31521143170447535,0.20379000753889384,0.4330923171818244,0.4113837296963882,0.3408693715303954
EOS-5-02718,N#Cc1ccc(-c2nc(-c3csnn3)ccc2-c2nnc3cncc(Br)n23)cn1,BPCBCKHOYKGRDZ-UHFFFAOYSA-N,5,1,0.48,50,60,462.296,3.401,5,0.4,0.65,0.947,0.19632821602357617,0.3160338564868755,0.27473271194571997,0.34430470838187927,0.2828498732095127
EOS-5-02719,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4F)n23)nc1,ITVUYNRDKLRTPO-UHFFFAOYSA-N,5,1,0.347,96,139,445.483,3.784,5,0.452,0.79,1.0,0.19085395106572545,0.3057192790076074,0.3931276129120691,0.30657597148927423,0.29906920361866907
EOS-5-02720,COc1cc(-c2nnc3cncc(CNC4CCC(F)(CF)C4)n23)ccc1-c1ccnnc1,DARBDWCSVPVEHL-UHFFFAOYSA-N,5,1,0.354,5,741,451.481,3.577,5,0.459,0.48,1.0,0.2457679391405661,0.14547495031183608,0.41828867109862244,0.5356384072373381,0.33629249194709065
EOS-5-02721,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-c5nccn5C)n4)n23)c(F)c1F,OXKTVIPQODHWEV-UHFFFAOYSA-N,5,1,0.311,74,836,446.421,2.892,5,0.455,0.68,0.856,0.2209666917963128,0.2037985744637105,0.4368531971763416,0.36380302926461516,0.30635537317524497
EOS-5-02722,COc1cc(-c2nnc3cncc(CNCc4cccc(C#N)c4)n23)ccc1-c1csnn1,PLGNKZQLMPRDRP-UHFFFAOYSA-N,5,1,0.34,60,257,454.519,3.48,5,0.398,0.78,1.0,0.25131930642176686,0.1344407511479679,0.5480004797477898,0.45884449318072784,0.3481512576245631
EOS-5-02723,Cn1ccnc1-c1ccc(Oc2cncc3nnc(-c4ccc(Cl)cc4)n23)cn1,OCIIAYUPJXDZHY-UHFFFAOYSA-N,5,1,0.538,13,374,403.833,4.033,5,0.45,0.76,1.0,0.8206599958878761,0.8333133438420944,0.5411555068192722,0.5715852237680762,0.6916785175793297
EOS-5-02724,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3Cl)n12,SHJNVGHMBKWBOC-UHFFFAOYSA-N,5,1,0.396,78,753,428.905,3.139,4,0.507,0.88,1.0,0.24857789048043313,0.23370570899869783,0.16030429716948805,0.14815639777945308,0.19768607360701804
EOS-5-02725,COc1cc(-c2nnc3cncc(CC4CCC5OCCC45)n23)ccc1-c1cncnc1,OYTMUXYLGMNGCX-UHFFFAOYSA-N,5,1,0.365,5,741,428.496,3.615,6,0.48,0.45,1.0,0.2832825029127544,0.14946713727640326,0.35191213761908025,0.4619542868891783,0.31165401617435406
EOS-5-02726,COC(=O)NC(C)C(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,UQZCKFORWKHKRO-UHFFFAOYSA-N,5,1,0.358,78,634,456.463,1.81,4,0.419,0.56,1.0,0.22669796449866356,0.19021143170447535,0.03756596532108834,0.0057141388527174285,0.11504737509423618
EOS-5-02727,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1ncc(Cl)cn1,IJHXGTVBBUHENE-UHFFFAOYSA-N,5,1,0.384,5,75,451.918,3.179,5,0.477,0.88,1.0,0.26986669864985263,0.09188883558357892,0.07181653073812624,0.15596943321225412,0.14738537454595296
EOS-5-02729,Cc1ncc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)c(F)n1,UTEVCDMVSXGXNF-UHFFFAOYSA-N,5,1,0.464,62,504,459.872,4.602,5,0.394,0.85,1.0,0.182329860873141,0.33016071550956066,0.6421852511822356,0.635006168185868,0.4474204989377013
EOS-5-02730,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4cc(-n5nccn5)ncn4)n23)cc1,SQSJUQOHIALRAC-UHFFFAOYSA-N,5,1,0.347,66,416,452.404,2.471,5,0.418,0.73,1.0,0.22941367966554727,0.17319751901857308,0.717711260365979,0.5962579672400795,0.4291451065725447
EOS-5-02731,COc1cc(-c2nnc3cncc(CCCC4CCCCC4)n23)ccc1-c1cncs1,NONHMNJOSRJWNW-UHFFFAOYSA-N,5,1,0.418,5,701,433.581,5.826,5,0.367,0.76,1.0,0.26703961346035227,0.1344493180727846,0.00594544582276746,0.07849016517031046,0.12148113563155369
EOS-5-02732,Clc1cnc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(Cl)c2)nc1,RMZUXXMGSCEMTF-UHFFFAOYSA-N,5,1,0.341,78,830,426.311,4.197,5,0.515,0.89,1.0,0.2592094441779179,0.2337142759235145,0.16657528613528888,0.5055599342060174,0.2912647351106846
EOS-5-02733,COc1cc(-c2nnc3cncc(CNCc4cccs4)n23)ccc1-c1cnc(C)s1,OFCHQKQAMNLMMP-UHFFFAOYSA-N,5,1,0.337,60,41,448.577,4.583,5,0.393,0.77,1.0,0.2562367212665342,0.11414570625728189,0.2929802618052224,0.18564526077719143,0.2122519875265575
EOS-5-02734,COCCn1cc(-c2ccc(-c3nnc4cncc(Oc5c(F)cc(Cl)cc5F)n34)nn2)cn1,BTMPMBRTZWLOBQ-UHFFFAOYSA-N,5,1,0.354,54,251,484.854,3.815,5,0.343,0.6,0.999,0.37450311836063327,0.3545164827633473,0.5713796175724762,0.5902182852443287,0.4726543759851964
EOS-5-02735,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4nc(C)nn4C)c(F)c3)n12,AGWGVJXSFCBWSC-UHFFFAOYSA-N,5,1,0.343,78,75,436.495,2.406,5,0.453,0.57,0.766,0.22382804468507983,0.21347919950654512,0.16658385306010554,0.22002433006647934,0.20597885682955244
EOS-5-02736,CC1CC1CNCc1cncc2nnc(-c3ccc(-c4nccn5ccnc45)c(F)c3)n12,KJUITLRJUHYQPX-UHFFFAOYSA-N,5,1,0.318,78,75,428.475,3.386,6,0.446,0.62,1.0,0.24858645740524982,0.2290281680487972,0.4258361318621068,0.5055685011308341,0.35225481461174696
EOS-5-02737,COc1cc(-c2nnc3cncc(CNC(C)(C)C(N)=O)n23)ccc1-c1ccsc1,QWJPZCAQHNLYMT-UHFFFAOYSA-N,5,1,0.372,5,75,422.514,2.882,4,0.474,0.78,1.0,0.33751113700226165,0.13099684737166747,0.16351689397573846,0.07066856281269275,0.17567336029059008
EOS-5-02738,CC(C)(C)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,SELNHKZHVLOPPJ-UHFFFAOYSA-N,5,1,0.341,0,688,430.487,4.182,5,0.525,0.88,1.0,0.22670653142348024,0.25940648344870126,0.40059797135220343,0.3065845384140909,0.29832388115961894
EOS-5-02739,Cc1ccnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(C)(C)C)n34)cc2F)n1,IVBHQXJAPPYBPN-UHFFFAOYSA-N,5,1,0.429,78,753,419.464,3.358,4,0.545,0.82,1.0,0.3176530052772257,0.2749040504420533,0.16352546090055514,0.06376362141045851,0.20496153450757318
EOS-5-02740,Cn1nccc1-c1ccc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)c(F)n1,CJUUCMVRILRBOD-UHFFFAOYSA-N,5,1,0.408,68,585,420.33,1.904,4,0.4,0.76,1.0,0.2858954149818381,0.3301692824343774,0.6478822561853197,0.49853505585634983,0.44062050236447126
EOS-5-02741,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5cccnc5)nc4)n23)cc1F,YQBOJBQMKKJHEU-UHFFFAOYSA-N,5,1,0.37,52,582,451.465,3.947,6,0.435,0.87,1.0,0.20175964635734356,0.23920567473099857,0.42206668494277294,0.5086782948392845,0.34292757521759987
EOS-5-02742,COC(=O)C(C)(C)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,JUKVROPCMLBLET-UHFFFAOYSA-N,5,1,0.352,5,743,438.513,2.965,4,0.439,0.73,1.0,0.28329106983757113,0.07894421218559386,0.1418768418888356,0.030558220821054076,0.13366758618326366
EOS-5-02743,O=C(Cc1ccc(F)c(F)c1)NCc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,XIULWCLBXBKLRO-UHFFFAOYSA-N,5,1,0.417,14,28,481.463,3.586,5,0.372,0.72,1.0,0.30485401960112396,0.35452504968816395,0.49988006305256666,0.5086868617641012,0.41698649852648895
EOS-5-02744,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5CC5(F)F)n34)c(F)c2)cs1,XHRROCRREWISQW-UHFFFAOYSA-N,5,1,0.337,78,830,430.459,4.107,5,0.499,0.59,0.979,0.2128709478445617,0.3006904941402234,0.798043314371873,0.8084349941744912,0.5300099376327874
EOS-5-02745,CCc1nc(-c2nnc3cncc(CCC4CC4)n23)ccc1-c1ccc(C(F)F)nn1,AODPQKHXKJCZMJ-UHFFFAOYSA-N,5,1,0.33,78,878,421.455,4.486,5,0.437,0.61,0.014,0.2645552052635186,0.3451185662394627,0.08780241244602838,0.24354910561304913,0.2352563223905147
EOS-5-02746,CCNC(=O)c1ccc(Cc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)cc1,WKZYAJHNMLYYKW-UHFFFAOYSA-N,5,1,0.376,23,646,411.387,3.549,4,0.51,0.78,1.0,0.4560174079912275,0.4209272839421561,0.8422572133506956,0.7933229387978891,0.6281312110204921
EOS-5-02747,COc1cc(-c2nnc3cncc(CNC(=O)C(C)(C)O)n23)ccc1-c1cscn1,XQRAGAXYHXEJDS-UHFFFAOYSA-N,5,1,0.396,5,966,424.486,2.31,4,0.488,0.84,1.0,0.3302463847577274,0.10465355356041395,0.17956274415735726,0.046895346446439584,0.16533950723048454
EOS-5-02748,CN(Cc1cncc2nnc(-c3ccc(-c4nccn4C)c(F)c3)n12)c1ccc(F)cn1,ITOHVSALVPEJTB-UHFFFAOYSA-N,5,1,0.394,14,353,432.438,3.501,5,0.423,0.72,1.0,0.2128795147693784,0.27491261736687,0.46905626756219587,0.41139229662120486,0.3420601740799123
EOS-5-02749,COCCC(=O)NCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(F)c3)n12,NLOJWAWCPFDIEU-UHFFFAOYSA-N,5,1,0.416,78,753,441.854,2.694,4,0.469,0.89,1.0,0.24051641422794873,0.14548351723665273,0.16659241998492222,0.2083476115413611,0.1902349907477212
EOS-5-02750,COc1cc(-c2nnc3cncc(CNCC4Cc5ccccc5O4)n23)ccc1-c1cscn1,NCUVZJCNPGXJDM-UHFFFAOYSA-N,5,1,0.361,14,257,470.558,4.017,6,0.384,0.58,1.0,0.2832996367623878,0.12048523062161606,0.5378915084641217,0.4395860461928586,0.34531560551024604
EOS-5-02751,COc1cc(-c2nnc3cncc(CNCCc4cc(F)cc(F)c4)n23)ccc1-c1ncsn1,LFWXPHLKPKTBDG-UHFFFAOYSA-N,5,1,0.4,14,291,479.516,3.929,5,0.337,0.7,1.0,0.31264135425947503,0.23921424165581523,0.5645603454184086,0.5157117401137687,0.4080319203618669
EOS-5-02752,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4ccc(-n5nccn5)nn4)n23)cc1,HAIQUDWBWXHRBO-UHFFFAOYSA-N,5,1,0.361,66,416,452.404,2.471,5,0.418,0.72,1.0,0.21288808169419504,0.1992752381605099,0.6673805770680556,0.565040093208142,0.4111459975327256
EOS-5-02753,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)c5ccncc5)n34)c(F)c2)cs1,VHAWPRGIKOHADK-UHFFFAOYSA-N,5,1,0.521,14,684,445.483,3.687,5,0.443,0.85,1.0,0.20176821328216024,0.23372284284833117,0.3667586183263656,0.2939568912343225,0.27405164142279487
EOS-5-02754,COc1cc(-c2nnc3cncc(CNC4COc5ncccc54)n23)ccc1-c1cnsc1,MOWQHPQKTFBFAT-UHFFFAOYSA-N,5,1,0.33,60,257,457.519,3.542,6,0.413,0.55,1.0,0.2405249811527654,0.13819306421766842,0.49628195462956615,0.3475430059625797,0.3056357514906449
EOS-5-02755,COc1cc(-c2nnc3cncc(CNC(=O)c4ccn(C)n4)n23)ccc1-c1cscn1,YQHVEWZQEMQEBU-UHFFFAOYSA-N,5,1,0.422,14,257,446.496,2.587,5,0.427,0.84,1.0,0.2238366116098965,0.17320608594338976,0.0970032896991296,0.040427318209855394,0.1336183263655678
EOS-5-02756,CC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5ncsn5)cc4F)n23)CCCO1,KRKWHAMVJZEPQQ-UHFFFAOYSA-N,5,1,0.394,78,753,439.476,2.634,5,0.509,0.52,1.0,0.23772359673771504,0.15708313343842095,0.01795627441573573,0.06081659927352478,0.11839490096634912
EOS-5-02757,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5csnn5)nc4F)n23)CC1,RLCGEEBLVZCFDS-UHFFFAOYSA-N,5,1,0.365,78,793,426.437,1.639,5,0.462,0.57,1.0,0.25624528819135084,0.21858508669727914,0.0069734768007675965,0.028802001233637173,0.12765146323075868
EOS-5-02758,Fc1ccnc(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)c1F,GTULNJLHZCWBLE-UHFFFAOYSA-N,5,1,0.506,73,420,408.328,2.488,5,0.432,0.6,1.0,0.5902182852443287,0.4563772188335275,0.4291857994654239,0.42730107600575695,0.4757705948872593
EOS-5-02759,CC(C)(C)c1ccc(Cc2cncc3nnc(-c4ccc(-c5csnn5)cc4Cl)n23)nn1,XBSPDGKOWRNCPE-UHFFFAOYSA-N,5,1,0.342,85,487,462.97,4.642,5,0.384,0.57,1.0,0.18510554451374134,0.31604242341169214,0.36327187992598176,0.2791789459255706,0.28589969844424645
EOS-5-02760,COc1cc(-c2nnc3cncc(CNC4COc5ncccc54)n23)ccc1-c1nccs1,FNYAMWLMRFHKPN-UHFFFAOYSA-N,5,1,0.327,14,257,457.519,3.542,6,0.413,0.68,1.0,0.23208656020834761,0.1570917003632376,0.38207627989856763,0.23767219518881502,0.252231683914742
EOS-5-02761,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cnc(F)cn5)n4)n23)cc1F,MCUDIMMUNQQFSU-UHFFFAOYSA-N,5,1,0.37,50,845,431.366,2.082,5,0.456,0.68,1.0,0.23209512713316427,0.2134877664313618,0.4041189774518539,0.3987046809677198,0.31210163799602497
EOS-5-02762,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4csc(CO)n4)cc3F)n12,ZFBYNGYHOKCKRK-UHFFFAOYSA-N,5,1,0.394,78,753,428.449,1.809,4,0.461,0.79,1.0,0.24859502433006647,0.20866458775957783,0.13270166541018436,0.1008327050921801,0.1726984956480022
EOS-5-02763,COc1c(-c2cscn2)ccc(-c2nnc3cncc(CNC4CCCC4)n23)c1F,VCSOJTNOEDEBCG-UHFFFAOYSA-N,5,1,0.343,5,741,424.505,4.095,5,0.502,0.7,1.0,0.3072184908505243,0.1382016311424851,0.05194983208827359,0.16376533479542182,0.1652838222191762
EOS-5-02764,FC1(F)CC1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3Cl)n12,MLITXXXAEVOHII-UHFFFAOYSA-N,5,1,0.363,78,75,433.875,3.708,5,0.499,0.57,1.0,0.19915530121307656,0.2907699952025221,0.7050150777876774,0.8021040367349737,0.4992611027345624
EOS-5-02765,CCOCc1cncc2nnc(-c3nccc(OCc4ccc(-c5ccccc5)cn4)n3)n12,CGCBSSVEFYWZQG-UHFFFAOYSA-N,5,1,0.327,14,351,439.479,3.759,5,0.36,0.75,0.91,0.24577650606538276,0.13100541429648413,0.2205640463299294,0.19119662805839216,0.19713564868754713
EOS-5-02766,O=C(CC(F)(F)F)NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,REAJJHSIGUHNPI-UHFFFAOYSA-N,5,1,0.386,68,585,438.37,2.412,4,0.376,0.6,1.0,0.18511411143855802,0.3057278459324241,0.48271194571996434,0.4239428414776232,0.34937418614214244
EOS-5-02768,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1F)N1CCC(F)C1,XPWMETZIWAOGGU-UHFFFAOYSA-N,5,1,0.315,0,825,440.841,3.83,5,0.484,0.81,1.0,0.1908625179905421,0.2800270714824207,0.24551949832088274,0.5684582962099924,0.32121684600095946
EOS-5-02769,COc1cc(-c2nnc3cncc(CN4CCc5ccccc5C4)n23)ccc1-c1cscn1,ILGJYKLNHORSES-UHFFFAOYSA-N,5,1,0.484,14,257,454.559,4.482,6,0.39,0.77,1.0,0.23210369405798095,0.14947570420121992,0.19950654513055993,0.27918751285038723,0.21506836406003702
EOS-5-02770,Fc1cc(F)cc(CNCc2cncc3nnc(-c4ccc(-c5csnn5)cc4Cl)n23)c1,DVOVGFLHYRHDGQ-UHFFFAOYSA-N,5,1,0.321,34,291,469.908,4.531,5,0.393,0.78,1.0,0.19916386813789322,0.33017784935919403,0.8374683023781784,0.8842865465012679,0.5627741415941334
EOS-5-02771,Clc1nccc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2Cl)n1,IWZZZMMEWLEUIJ-UHFFFAOYSA-N,5,1,0.327,78,830,426.311,4.197,5,0.482,0.93,1.0,0.24860359125488316,0.24442293194434925,0.22057261325474609,0.5487372352820231,0.31558409293400036
EOS-5-02772,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(Cl)nn1,ISAJRXXADYQMNG-UHFFFAOYSA-N,5,1,0.363,5,741,421.892,3.552,5,0.509,0.8,1.0,0.3126499211842917,0.17747241450209034,0.11000788157083133,0.25221883352751695,0.21308726269618258
EOS-5-02774,COc1cc(-c2nnc3cncc(CNc4cccc(C#N)c4)n23)ccc1-c1cnsn1,POAQXTUWZFXDLE-UHFFFAOYSA-N,5,1,0.35,14,257,440.492,3.802,5,0.424,0.73,1.0,0.25378658076896715,0.11131005414296484,0.5411640737440888,0.42730964293057366,0.3333925878966486
EOS-5-02775,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1cccnn1,CZKKNYNRADNAEM-UHFFFAOYSA-N,5,1,0.333,66,585,428.378,2.384,4,0.52,0.77,0.882,0.24578507299019944,0.20867315468439449,0.4108183126584881,0.2939654581591392,0.2898104996230553
EOS-5-02776,Cn1ccnc1-c1cccc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)n1,GNNWUGMNPFTUTA-UHFFFAOYSA-N,5,1,0.308,52,830,454.513,4.035,6,0.417,0.75,1.0,0.2377321636625317,0.12770714824206703,0.13271023233500104,0.28205743266397093,0.19505174422589266
EOS-5-02777,CCC(C)(O)C(=O)NCc1cncc2nnc(-c3ccc(-c4ccsn4)c(OC)c3)n12,OLLJEFDDHNCTCM-UHFFFAOYSA-N,5,1,0.385,5,966,438.513,2.701,4,0.456,0.65,1.0,0.26987526557466934,0.08580631896374477,0.13898122130080187,0.04821465286820643,0.1357193646768556
EOS-5-02778,O=C(NCc1cncc2nnc(-c3ccc(-c4ccsn4)nc3F)n12)C(F)(F)F,SLHJPSXNCHFLIB-UHFFFAOYSA-N,5,1,0.406,68,585,423.355,2.627,4,0.4,0.62,1.0,0.2486121581796998,0.3109108354465081,0.6701134260845727,0.5747464190254267,0.45109570968405177
EOS-5-02780,Cc1ncc(-c2ccc(-c3nnc4cncc(CNC(=O)C(C)(C)C)n34)c(F)c2)s1,IOMXCOKZFYPJOR-UHFFFAOYSA-N,5,1,0.412,78,753,424.505,4.025,4,0.535,0.79,1.0,0.2513278733465835,0.27492118429168666,0.18923480227537523,0.0835360838873278,0.1997549859502433
EOS-5-02781,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(CNC5CCC(F)(CO)C5)n34)cc2F)n1,HALYLQYWNRSZLY-UHFFFAOYSA-N,5,1,0.33,78,830,440.458,2.367,5,0.421,0.48,0.984,0.21022376807621138,0.20868172160921117,0.25299842368583375,0.4395946131176753,0.2778746316222329
EOS-5-02782,Fc1cc(-c2nnc3cncc(CNCc4ccc(-c5cnccn5)nn4)n23)ccc1-c1ncco1,QGGLJNBPKUGTBR-UHFFFAOYSA-N,5,1,0.324,60,869,480.467,3.122,6,0.363,0.6,1.0,0.31766157220204233,0.24443149886916593,0.259980467411418,0.25544856418340073,0.2693805256665067
EOS-5-02783,COc1cc(-c2nnc3cncc(CNCc4cccs4)n23)ccc1-c1cncs1,YGYKRKUDKXMCSX-UHFFFAOYSA-N,5,1,0.348,60,41,434.55,4.275,5,0.412,0.79,1.0,0.26191659241998494,0.11415427318209856,0.3519207045438969,0.2613597423069015,0.24733782811322047
EOS-5-02784,COc1cc(-c2nnc3cncc(CNCc4cccs4)n23)ccc1-c1cnsn1,LDOLTIORSLMQRU-UHFFFAOYSA-N,5,1,0.33,60,41,435.538,3.67,5,0.417,0.65,1.0,0.2670481803851689,0.1014752244534302,0.22387944623397985,0.1637739017202385,0.18904418819820437
EOS-5-02785,COc1cc(-c2nnc3cncc(CNCC4CC4(F)F)n23)ccc1-c1nncs1,IJFBZWBNCMEXPL-UHFFFAOYSA-N,5,1,0.379,5,75,429.456,3.063,5,0.483,0.55,1.0,0.23774073058734838,0.20869028853402782,0.5514186827496402,0.5086954286889178,0.37663628263998356
EOS-5-02786,CCC(=O)C(=O)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3F)n12,RZFBWTATUQUOPC-UHFFFAOYSA-N,5,1,0.4,78,753,424.461,2.958,4,0.478,0.86,1.0,0.2431036255225824,0.2957473785210061,0.03757453224590501,0.02967582756493729,0.1515253409636077
EOS-5-02787,Fc1ccc(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6ncno6)cc5)n34)ncn2)nn1,CZEILMBOGIJUGD-UHFFFAOYSA-N,5,1,0.31,60,869,481.455,2.517,6,0.359,0.65,1.0,0.32755637036529367,0.25431773010760056,0.1960026728805428,0.18036803509012406,0.23956120211089027
EOS-5-02788,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1sccc1Cl,GVBWCKNNYVMTPD-UHFFFAOYSA-N,5,1,0.363,5,741,425.945,4.824,5,0.479,0.85,1.0,0.269883832499486,0.177480981426907,0.21354773490507847,0.42108148858885613,0.2704985093550819
EOS-5-02789,CNC(=O)c1ccc(-c2nnc3cncc(-c4cc(-c5ncccn5)cnn4)n23)c(F)c1F,VGUBIDZLTLZCOO-UHFFFAOYSA-N,5,1,0.296,50,836,445.393,2.343,5,0.447,0.64,0.999,0.19633678294839285,0.22903673497361388,0.40412754437667053,0.3603933931875814,0.2974736138715647
EOS-5-02790,Cc1nnc(-c2ccc(-c3nnc4cncc(CNC5CCC(CCO)O5)n34)c(F)c2)s1,VQUKHISIUSSRNJ-UHFFFAOYSA-N,5,1,0.294,78,830,455.519,2.734,5,0.438,0.55,0.794,0.22384517853471317,0.15335652114317044,0.16660098690973887,0.26745082585155233,0.20281337810979372
EOS-5-02791,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1ncc(F)cn1,FAUHBSWLKRYQRL-UHFFFAOYSA-N,5,1,0.357,5,741,477.544,3.427,5,0.397,0.74,1.0,0.32499485984511,0.1277157151668837,0.05195839901309026,0.18565382770200808,0.17258070043177304
EOS-5-02793,CNC(=O)c1ccc(-c2nnc3cncc(-c4scnc4-c4ccc(F)nc4)n23)c(F)c1F,PTZBMYIWZGVEGI-UHFFFAOYSA-N,5,1,0.311,96,26,467.436,3.754,5,0.404,0.7,0.996,0.18512267836337468,0.3301864162840107,0.6646648619011719,0.6379531903228017,0.45448178671783973
EOS-5-02794,COc1cc(-c2nnc3cncc(CNC(=O)C4(O)CCCC4)n23)ccc1-c1cscn1,CRLOVYPIWCBLCH-UHFFFAOYSA-N,5,1,0.377,5,966,450.524,2.845,5,0.464,0.71,1.0,0.2859039819066548,0.032228771160304294,0.008138578575834419,0.02678020697690357,0.08826288465492428
EOS-5-02795,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5nccs5)cc4C#N)n23)CC1,RTFPZIIZMRESSU-UHFFFAOYSA-N,5,1,0.352,5,753,431.481,2.582,5,0.498,0.73,1.0,0.2562538551161675,0.13445788499760125,0.041883695428688916,0.12562538551161676,0.1395552052635186
EOS-5-02796,COc1cc(-c2nnc3cncc(CNCCc4cccc(F)c4)n23)ccc1-c1csnn1,ZIIORDTXFJTSJT-UHFFFAOYSA-N,5,1,0.457,14,257,461.526,3.79,5,0.352,0.84,1.0,0.2017767802069769,0.22392228085806318,0.46531252141731205,0.42395140840243983,0.328740747721198
EOS-5-02797,Fc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1C(F)F,XCWLRXQBTFGYPF-UHFFFAOYSA-N,5,1,0.327,14,416,451.416,3.134,5,0.406,0.7,1.0,0.18804399972585842,0.24941744911246658,0.6593619354396546,0.6232266465629498,0.43001250771023236
EOS-5-02798,COc1cc(-c2nnc3cncc(CNCCc4cc(F)ncc4F)n23)ccc1-c1cscn1,BGSZXBQOXWCYGA-UHFFFAOYSA-N,5,1,0.345,14,257,479.516,3.929,5,0.266,0.69,1.0,0.31265848810910835,0.20380714138852718,0.5967891165787129,0.5087039956137345,0.40548968542252073
EOS-5-02799,COc1cc(-c2nnc3cncc(CCc4cccc(C)n4)n23)ccc1-c1cncnc1,VUJLIEJXNNNYEI-UHFFFAOYSA-N,5,1,0.407,14,886,423.48,3.746,5,0.411,0.66,1.0,0.335103831128778,0.09189740250839559,0.38578575834418477,0.2820659995887876,0.2737132478925365
EOS-5-02800,COc1cc(-c2nnc3cncc(CN(C)c4cnc(C#N)cn4)n23)ccc1-c1cscn1,DDJFMESJXKAUDS-UHFFFAOYSA-N,5,1,0.356,14,257,455.507,3.221,5,0.38,0.66,1.0,0.235067850044548,0.12772428209170036,0.21019806730176135,0.11658727983003221,0.1723943698170105
EOS-5-02801,COc1cc(-c2nnc3cncc(CNC(=O)c4ccncc4)n23)ccc1-c1ccsn1,COIIHIHBVNHYCT-UHFFFAOYSA-N,5,1,0.521,14,257,443.492,3.248,5,0.429,0.83,1.0,0.23774929751216503,0.12419470906723322,0.27055205263518606,0.15327941881982043,0.19644386950860118
EOS-5-02802,COc1cc(-c2nnc3cncc(CNCc4ccsc4)n23)ccc1-c1ccsc1,VYLRYPISNXFRPQ-UHFFFAOYSA-N,5,1,0.358,60,41,433.562,4.88,5,0.396,0.77,1.0,0.25921801110273457,0.11416284010691523,0.5578353094373244,0.464927009800562,0.34903579261188405
EOS-5-02803,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCC5CC5(F)F)n34)cc2F)n1,LWUHWYRVPAAHSJ-UHFFFAOYSA-N,5,1,0.344,78,75,426.406,2.836,5,0.507,0.57,0.999,0.21023233500102803,0.3350609965046947,0.6357514906449181,0.6666181207593722,0.4619157357275033
EOS-5-02804,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5(F)CC5)n34)c(F)c2)cs1,WWPLVYDGORNTJZ-UHFFFAOYSA-N,5,1,0.41,78,753,426.452,3.481,5,0.528,0.75,1.0,0.23507641696936468,0.2594150503735179,0.10481632513193065,0.27019224179288603,0.21737500856692482
EOS-5-02805,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4cscn4)c(F)c3)n12,MNWNNMOGVOLTNF-UHFFFAOYSA-N,5,1,0.347,78,75,424.505,3.426,5,0.467,0.61,0.996,0.25626242204098415,0.23373140977314782,0.5104430813515181,0.5747549859502433,0.3937979747789734
EOS-5-02806,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccsc5)cn4)n23)c(F)c1F,LMYHYBJFYSAPHN-UHFFFAOYSA-N,5,1,0.333,96,26,448.458,4.22,5,0.445,0.79,1.0,0.18233842779795764,0.26452093756425193,0.7437375779590158,0.7012284970187102,0.4729563600849839
EOS-5-02807,CNC(=O)C(C)NCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,ZGCYAOXQSNMPRZ-UHFFFAOYSA-N,5,1,0.355,5,743,423.502,2.148,4,0.469,0.6,1.0,0.3099513398670413,0.1310139812213008,0.1048248920567473,0.02404735796038654,0.142459392776369
EOS-5-02808,COc1cc(-c2nnc3cncc(CNCc4scnc4C)n23)ccc1-c1cncs1,BFJFDHFZJKQYCW-UHFFFAOYSA-N,5,1,0.351,60,41,449.565,3.978,5,0.402,0.72,1.0,0.23775786443698171,0.11715269686793228,0.14188540881365225,0.08893324652182852,0.1464323041600987
EOS-5-02809,COc1cc(-c2nnc3cncc(CNC(=O)C(C)c4ccccc4)n23)ccc1-c1cscn1,AJTUHQJNATXOTJ-UHFFFAOYSA-N,5,1,0.41,62,257,470.558,4.343,5,0.38,0.63,1.0,0.2592265780275512,0.14179973956548558,0.4550407785621273,0.30013364402714005,0.28905018504557606
EOS-5-02810,COc1cc(-c2nnc3cncc(CNC4Cc5ccccc5C4)n23)ccc1-c1cscn1,XKJMHUBRXQXCEX-UHFFFAOYSA-N,5,1,0.384,14,257,454.559,4.18,6,0.415,0.76,1.0,0.2513364402714002,0.09523850318689603,0.5480090466726064,0.4863186210677815,0.34522565279967105
EOS-5-02811,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(CNCC3CC3C(F)(F)F)n12,PTLLHRJFVVAJBI-UHFFFAOYSA-N,5,1,0.333,78,793,450.425,3.132,5,0.356,0.42,0.967,0.1792886025632239,0.2645295044890686,0.7893393187581386,0.7769601123980536,0.5025293845521213
EOS-5-02812,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cn[nH]c5)nn4)n23)c(F)c1F,RXIPDMADUZRBII-UHFFFAOYSA-N,5,1,0.303,50,836,434.37,1.671,5,0.435,0.67,0.855,0.19345829620999247,0.2749297512165033,0.2966040710026729,0.2820745665136043,0.2617666712356932
EOS-5-02813,Fc1cc(-c2nnco2)ccc1-c1nnc2cncc(CNCc3ccc(-c4ccnnc4)nn3)n12,SFFFJNJAHHTHDX-UHFFFAOYSA-N,5,1,0.31,60,84,481.455,2.517,6,0.359,0.6,1.0,0.309959906791858,0.29077856212733877,0.23854602152011514,0.23464807072853128,0.2684831402919608
EOS-5-02814,Fc1ccc(-c2nnc3cncc(OCc4cnccn4)n23)cc1-c1nccs1,QCMVJNSIZZJGMY-UHFFFAOYSA-N,5,1,0.53,4,815,405.418,3.423,5,0.442,0.73,1.0,0.6533222534439038,0.7519446919333836,0.4404941402234254,0.43036803509012406,0.5690322801727092
EOS-5-02815,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccsc1Cl,OVFZDXIZBVHERN-UHFFFAOYSA-N,5,1,0.371,5,741,425.945,4.824,5,0.479,0.86,1.0,0.2804982523473374,0.1454920841614694,0.2633044342402851,0.46493557672537866,0.28855758686861765
EOS-5-02816,COc1cc(-c2nnc3cncc(CNCc4ccc5c(c4)OCO5)n23)ccc1-c1nncs1,HACQSXQDZFJJRP-UHFFFAOYSA-N,5,1,0.361,60,257,473.518,3.337,6,0.381,0.79,1.0,0.27492118429168666,0.14550065108628607,0.39313617983688576,0.2405249811527654,0.263520749091906
EOS-5-02817,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5CC5CO)n34)cc2F)cs1,XTKQLUBZUAFIGG-UHFFFAOYSA-N,5,1,0.348,78,75,424.505,3.08,5,0.474,0.58,1.0,0.25627098896580086,0.2337399766979645,0.455049345486944,0.5220426975532863,0.3667757521759989
EOS-5-02818,COc1cc(-c2nnc3cncc(CNCc4cccnc4OC)n23)ccc1-c1cscn1,LLTJBIJNWVHAIL-UHFFFAOYSA-N,5,1,0.346,60,257,459.535,3.617,5,0.376,0.8,1.0,0.25379514769378386,0.09826262764717977,0.27841648961688714,0.13204201219930095,0.1906290692892879
EOS-5-02819,Cn1nc(-c2cncnc2)cc1CNCc1cncc2nnc(-c3ccc(Cl)cc3)n12,IFFWQQFVVWGODG-UHFFFAOYSA-N,5,1,0.392,60,416,431.891,2.925,5,0.441,0.76,1.0,0.17637584812555684,0.3498475087382633,0.28937358645740524,0.3443132753066959,0.28997755465698033
EOS-5-02820,COc1cc(-c2nnc3cncc(CNCCc4ccc(F)nc4)n23)ccc1-c1nncs1,KTVRLQNLWDYTLF-UHFFFAOYSA-N,5,1,0.352,14,257,462.514,3.185,5,0.277,0.72,1.0,0.2267150983482969,0.1571002672880543,0.2857583441847714,0.220032896991296,0.22240165170310466
EOS-5-02821,COc1cc(-c2nnc3cncc(CCc4cnc(C)cn4)n23)ccc1-c1cnccn1,CEAAJNPRKYMFMB-UHFFFAOYSA-N,5,1,0.417,85,172,424.468,3.141,5,0.409,0.74,1.0,0.33025495168254404,0.07545747378521006,0.19601123980535948,0.1320505791241176,0.18344356109930782
EOS-5-02822,CCc1nc(-c2nnc3cncc(COc4ccnc(C)c4)n23)ccc1-c1nccc(C)n1,MOKJGSAJGLDKOZ-UHFFFAOYSA-N,5,1,0.337,85,920,438.495,3.797,5,0.394,0.59,0.999,0.2486207251045165,0.11131862106778151,0.11570488657391542,0.06540847097525872,0.13526317593036805
EOS-5-02823,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)cc1,KXOASQGJJNWLNQ-UHFFFAOYSA-N,5,1,0.35,66,416,453.392,1.866,5,0.41,0.78,1.0,0.21840518127612912,0.15336508806798713,0.6837262696182578,0.5715937906928928,0.40677258241381675
EOS-5-02824,COc1cc(-c2nnc3cncc(CNCc4cccs4)n23)ccc1-c1cscn1,FISDCAZJAVCCHJ-UHFFFAOYSA-N,5,1,0.344,60,41,434.55,4.275,5,0.412,0.79,1.0,0.2562795558906175,0.10466212048523062,0.33357891851141114,0.24623055308066616,0.23518778699198134
EOS-5-02825,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1F)N1CCCCCC1,QFYMIJOLZZOHCV-UHFFFAOYSA-N,5,1,0.337,0,825,450.905,4.662,5,0.453,0.82,1.0,0.1736172983345898,0.28003563840723733,0.006982043725584264,0.1559780001370708,0.15415324515112055
EOS-5-02826,COc1cc(-c2nnc3cncc(CNCC4(F)CCOCC4)n23)ccc1-c1ccccn1,LFBBKLXRHGZQAC-UHFFFAOYSA-N,5,1,0.396,5,743,448.502,3.47,5,0.463,0.78,1.0,0.23776643136179837,0.11132718799259818,0.12159893084778288,0.24914330751833322,0.17995896443012815
EOS-5-02827,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)C(F)(F)F,UPWOZCUBDBOHJT-UHFFFAOYSA-N,5,1,0.398,68,585,424.343,2.022,4,0.394,0.6,1.0,0.23777499828661502,0.2907871290521554,0.5611678431910082,0.4742221232266466,0.39098802343910627
EOS-5-02829,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)cc1,MQSDALCPHANRDU-UHFFFAOYSA-N,5,1,0.361,62,3,430.468,4.081,5,0.464,0.88,1.0,0.20178534713179358,0.27493831814131997,0.6478908231101363,0.5778219450346104,0.4256091083544651
EOS-5-02830,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNCC4CC4CO)n23)cc1F,UYKDVGJSMRBKCE-UHFFFAOYSA-N,5,1,0.33,78,75,421.48,2.532,5,0.454,0.55,1.0,0.28591254883147144,0.22393084778287986,0.37068226989239944,0.43366630114454113,0.32854799191282297
EOS-5-02831,COC(=O)C(C)(C)NCc1cncc2nnc(-c3ccc(-c4cccnn4)c(OC)c3)n12,IULOLBMZKIJRAO-UHFFFAOYSA-N,5,1,0.348,5,743,433.472,2.298,4,0.438,0.73,1.0,0.2749297512165033,0.07895277911041053,0.13898978822561853,0.031611952573504215,0.13112106778150914
EOS-5-02832,CCc1nc(-c2nnc3cncc(CN(C)Cc4ccc(Cl)cc4)n23)ccc1-c1ncc[nH]1,YBLVSYXSCPBTPV-UHFFFAOYSA-N,5,1,0.327,14,81,458.957,4.424,5,0.388,0.75,0.535,0.18805256665067507,0.24444006579398259,0.2672195188815023,0.3127612912069084,0.2531183606332671
EOS-5-02833,N#Cc1ccc(F)c(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)n23)c1,RPTGCJUKGNUPQZ-UHFFFAOYSA-N,5,1,0.432,83,504,452.424,4.86,5,0.42,0.85,1.0,0.15991021862792132,0.3257144815297101,0.9413765334795422,0.9301452950448907,0.5892866321705161
EOS-5-02835,COC1COCCC1NCc1cncc2nnc(-c3ccc(-c4nncc(C)n4)c(F)c3)n12,PTFTXNWODBPMCZ-UHFFFAOYSA-N,5,1,0.327,78,75,450.478,1.984,5,0.471,0.54,1.0,0.21841374820094578,0.14550921801110273,0.2385545884449318,0.267459392776369,0.21748423685833732
EOS-5-02836,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(-c2cscn2)nc1,SMHDHLHKXPJCMU-UHFFFAOYSA-N,5,1,0.34,52,257,457.538,4.758,6,0.396,0.73,1.0,0.2102409019258447,0.16869988348982248,0.2455280652456994,0.4492152696867932,0.26842103008703994
EOS-5-02837,COCC(=O)NCc1cnc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)cn1,CIFCWTALEVURKY-UHFFFAOYSA-N,5,1,0.408,31,457,454.878,1.514,4,0.374,0.71,0.998,0.2725310122678363,0.04556747309985608,0.067515934480159,0.05341477623192379,0.1097572990199438
EOS-5-02838,COc1cc(-c2nnc3cncc(CNC(=O)C4(OC)CC4)n23)ccc1-c1ccsc1,FOYOWHMKNBAEBT-UHFFFAOYSA-N,5,1,0.396,5,966,435.509,3.324,5,0.479,0.72,1.0,0.2538037146186005,0.10148379137824687,0.06752450140497566,0.13419231032828455,0.1392510794325269
EOS-5-02839,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cn5cccn5)cn4)n23)c(F)c1F,NUWNNRLMSXPCCQ-UHFFFAOYSA-N,5,1,0.303,74,26,446.421,2.736,5,0.445,0.76,1.0,0.19087108491535879,0.21349633335617846,0.5277654033308203,0.4492238366116099,0.3453391645534919
EOS-5-02840,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cncnc5)nc4)n23)c(F)c1F,CENBYWXVTYVRHT-UHFFFAOYSA-N,5,1,0.327,82,478,430.378,2.687,5,0.465,0.71,0.809,0.20745665136042765,0.2594236172983346,0.6701219930093893,0.6260622986772668,0.44076614008635456
EOS-5-02841,COc1cc(-c2nnc3cncc(CNC(=O)Cc4cccnc4)n23)ccc1-c1cscn1,UZJDGLXNVPHZNZ-UHFFFAOYSA-N,5,1,0.404,14,257,457.519,3.177,5,0.4,0.89,1.0,0.24862929202933315,0.08898464807072853,0.20303611815502706,0.12117058460694949,0.16545516071550956
EOS-5-02842,COc1cc(-c2nnc3cncc(CNC(=O)C(=O)NC4CC4)n23)ccc1-c1nccs1,PLODNDDTNGWNGI-UHFFFAOYSA-N,5,1,0.392,5,966,449.496,1.818,5,0.43,0.91,1.0,0.25628812281543417,0.06810705229250909,0.008147145500651086,0.0039065177164005205,0.08411220958124871
EOS-5-02843,O=C(NCc1cncc2nnc(-c3ccc(-c4nccs4)c(CCF)n3)n12)C(F)(F)F,YGFPRWOCNROHIL-UHFFFAOYSA-N,5,1,0.351,68,585,451.409,3.0,4,0.453,0.65,0.837,0.18513124528819136,0.22393941470769652,0.40413611130148724,0.3346840518127613,0.2869727057775341
EOS-5-02844,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4nccs4)c(F)c3)n12,BHNCBFXIQVKEQI-UHFFFAOYSA-N,5,1,0.347,78,75,424.505,3.426,5,0.467,0.61,0.996,0.25134500719621683,0.22904530189843053,0.4441950517442259,0.5087125625385511,0.3583244808443561
EOS-5-02845,CC(F)(F)C(=O)NCc1cncc2nnc(-c3ccc(-c4nccs4)cc3F)n12,JYCCJLKLDGKBTD-UHFFFAOYSA-N,5,1,0.423,66,233,418.404,3.325,4,0.537,0.79,1.0,0.29701528339387295,0.3160509903365088,0.6622832568021383,0.5587605373175245,0.45852751696251115
EOS-5-02846,CC(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)c(F)c1,ACLIJXYAUIHZFO-UHFFFAOYSA-N,5,1,0.469,83,504,487.922,5.556,5,0.339,0.77,1.0,0.36985127818518265,0.5284507573161538,0.9500291275443766,0.9311561921732575,0.6948718388047427
EOS-5-02847,COc1cc(-c2nnc3cncc(CNC(C)(C)Cc4ccncc4)n23)ccc1-c1cscn1,OFTNSQJUHWTIQC-UHFFFAOYSA-N,5,1,0.337,60,257,471.59,4.429,5,0.358,0.76,1.0,0.2970238503186896,0.07192790076074293,0.48965115482146526,0.2878144061407717,0.28660432801041735
EOS-5-02848,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)cc1C,ABHWQPPFTWNAJK-UHFFFAOYSA-N,5,1,0.39,63,364,437.454,3.342,4,0.497,0.67,1.0,0.21842231512576246,0.16096395038037145,0.4144164210814886,0.1747138647111233,0.24212913782468642
EOS-5-02849,Cn1ccc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)n2)n1,YMBXCJVRRAQYGI-UHFFFAOYSA-N,5,1,0.398,68,585,420.33,1.904,4,0.4,0.67,1.0,0.26989239942430265,0.3109194023713248,0.6390754574737852,0.49240970461243233,0.4280742409704612
EOS-5-02850,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(-c2nccs2)nc1,WSBDYTZOZFILFH-UHFFFAOYSA-N,5,1,0.34,52,257,457.538,4.758,6,0.396,0.75,1.0,0.20746521828524433,0.17321465286820642,0.19601980673017613,0.3925193612500857,0.24230475978342814
EOS-5-02851,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1,FGCRDGSFWXGMKS-UHFFFAOYSA-N,5,1,0.295,0,188,432.415,2.671,5,0.483,0.92,1.0,0.22942224659036392,0.16097251730518813,0.18924336920019189,0.18305804948255774,0.19067404564457544
EOS-5-02852,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4sc(C)nc4C)cc3F)n12,RUZDMZIDMOLPLP-UHFFFAOYSA-N,5,1,0.396,78,753,426.477,2.933,4,0.509,0.83,1.0,0.24863785895414983,0.19021999862929204,0.10731786717839764,0.06541703790007539,0.15289819066547872
EOS-5-02853,COc1cc(-c2nnc3cncc(CN(C)c4cnc(C#N)cn4)n23)ccc1-c1cccnn1,ASFIUNPMVQALBK-UHFFFAOYSA-N,5,1,0.349,85,257,450.466,2.555,5,0.38,0.67,1.0,0.2294308135151806,0.11417140703173188,0.20304468507984375,0.11418854088136522,0.16520886162703036
EOS-5-02854,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cc(F)c(F)c(F)c1,HRRCPYPQLBJSAY-UHFFFAOYSA-N,5,1,0.297,78,830,438.457,4.475,5,0.45,0.78,0.372,0.20465526694537728,0.18595367007059146,0.42919436639024056,0.6379617572476184,0.36444126516345693
EOS-5-02855,CCOC(=O)C(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,PBCJKDWJYIVFBY-UHFFFAOYSA-N,5,1,0.369,78,634,427.421,1.628,4,0.289,0.64,1.0,0.24053354807758207,0.1902285655541087,0.015591803166335412,0.005722705777534096,0.11301915564389006
EOS-5-02856,Clc1ccc(-c2nnc3cncc(OCCc4cc5ccccc5cn4)n23)cn1,RBNSSDVTKXIWFU-UHFFFAOYSA-N,5,1,0.511,11,275,402.845,4.009,5,0.413,0.75,1.0,0.7738417517647865,0.9383352751696251,0.60013878418203,0.6814389006922075,0.7484386779521622
EOS-5-02857,O=C(c1ccc(-c2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)cc1)N1CCC(F)CC1,YKIKEUNSRKVBLO-UHFFFAOYSA-N,5,1,0.392,0,21,487.432,5.19,5,0.373,0.91,1.0,0.3790778562127339,0.45198238640257693,0.8290127475841272,0.8967428551847029,0.6392039613460352
EOS-5-02858,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N(C)C)cc4)n23)cc1F,FZMFMPUEPQYUFX-UHFFFAOYSA-N,5,1,0.424,0,901,418.432,2.659,4,0.55,0.91,1.0,0.312667055033925,0.2594321842231513,0.3785124391748338,0.20251353574121034,0.2882813035432801
EOS-5-02859,COc1cc(-c2nnc3cncc(CNCC4CC4(C)F)n23)ccc1-c1ccsn1,GASYKPQXPWZQIX-UHFFFAOYSA-N,5,1,0.379,5,743,424.505,3.761,5,0.487,0.57,1.0,0.2562966897402508,0.20381570831334384,0.5104516482763347,0.47722911383729694,0.3619482900418066
EOS-5-02860,CNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)cc1F,AHUAITYYOWQJJG-UHFFFAOYSA-N,5,1,0.34,96,648,449.446,3.615,5,0.45,0.75,1.0,0.1736258652594065,0.24942601603728326,0.670130559934206,0.6467257213350696,0.43497704064149134
EOS-5-02862,COC(=O)C(C)(C)NCc1cncc2nnc(-c3ccc(-c4ccsn4)c(OC)c3)n12,OOOCYJCVJNYKAZ-UHFFFAOYSA-N,5,1,0.352,5,743,438.513,2.965,4,0.439,0.67,1.0,0.2619251593448016,0.06811561921732574,0.13571722294565142,0.02968439448975396,0.12386059899938318
EOS-5-02863,Fc1cc(-c2nnc3cncc(CNCc4cc(-c5nccs5)ccn4)n23)ccc1-c1ncco1,GZBNQKTYRPDGMO-UHFFFAOYSA-N,5,1,0.333,60,217,484.52,4.394,6,0.355,0.62,1.0,0.35366835720649714,0.3057364128572408,0.4006065382770201,0.37356932355561645,0.3583951579740936
EOS-5-02864,COc1cc(-c2nnc3cncc(CNC(=O)Cc4ccsc4)n23)ccc1-c1cscn1,JAMUKARMVIVSOA-UHFFFAOYSA-N,5,1,0.408,14,257,462.56,3.844,5,0.395,0.89,1.0,0.2457936399150161,0.10149235830306354,0.2030532520046604,0.12342368583373313,0.16844073401411827
EOS-5-02865,COc1cc(-c2nnc3cncc(CNCc4cccc(C)n4)n23)ccc1-c1ncsn1,AOYJWDOIRTXPLZ-UHFFFAOYSA-N,5,1,0.341,60,41,444.524,3.312,5,0.408,0.68,1.0,0.24580220683983278,0.08581488588856144,0.15702316496470428,0.08525803577547804,0.14347457336714414
EOS-5-02867,Cn1nc(C(F)F)cc1-c1ccc(-c2nnc3cncc(CNC4CCC4)n23)cc1F,ZPYHXSLPFKJRNJ-UHFFFAOYSA-N,5,1,0.341,78,830,427.434,3.911,5,0.505,0.75,1.0,0.23508498389418134,0.20382427523816052,0.44420361866904257,0.5841957370982113,0.36682715372489894
EOS-5-02868,N#Cc1nc(-c2ccsn2)ccc1-c1nnc2cncc(CNC(=O)C(F)(F)F)n12,CUSRJVJOGBYZIS-UHFFFAOYSA-N,5,1,0.384,68,585,430.375,2.36,4,0.527,0.6,1.0,0.207473785210061,0.23922280858063188,0.5807089986978274,0.4712579672400795,0.37466588993215
EOS-5-02869,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)cc1Cl,OVTJSLFEPMZLDG-UHFFFAOYSA-N,5,1,0.544,62,504,485.334,5.889,5,0.343,0.85,1.0,0.32002604345144264,0.46084915358782813,0.9446148310602426,0.9516996778836269,0.669297426495785
EOS-5-02870,COc1cc(-c2nnc3cncc(COc4ccncn4)n23)ccc1-c1ncsn1,XRCHEERSUUZLDZ-UHFFFAOYSA-N,5,1,0.36,7,172,418.442,2.687,5,0.41,0.72,1.0,0.33511239805359466,0.18596223699540812,0.18606504009320815,0.104987663628264,0.2030318346926187
EOS-5-02871,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5ccsc5)cn4)n23)c(F)c1F,AQAOFNXPTFTKEF-UHFFFAOYSA-N,5,1,0.317,82,736,449.446,3.615,5,0.45,0.73,1.0,0.17363443218422314,0.24943458296209992,0.5578438763621411,0.5188558015214858,0.37494217325748747
EOS-5-02872,CN(Cc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12)c1ncc(Cl)cn1,ZVGDNJMCGMXDSW-UHFFFAOYSA-N,5,1,0.364,85,28,453.894,3.529,5,0.373,0.55,1.0,0.17638441505037353,0.24444863271879927,0.09465595229936262,0.1256339524364334,0.1602807381262422
EOS-5-02873,CCOCCn1ccnc1-c1ccc(-c2nnc3cncc(CNC4CCC4)n23)c(F)c1,RDZSTPJPHNVTIG-UHFFFAOYSA-N,5,1,0.308,78,830,435.507,3.473,5,0.406,0.82,0.998,0.22943938043999726,0.13446645192241793,0.044933520663422655,0.14100301555753547,0.13746059214584333
EOS-5-02874,Cc1cnc(-c2ccc(-c3nnc4cncc(CNC5CCCC5)n34)c(F)c2F)nc1,YHIJWWMXJGMCSF-UHFFFAOYSA-N,5,1,0.323,78,830,421.455,3.867,5,0.527,0.83,1.0,0.28873106709615515,0.1946747995339593,0.10207490919059695,0.30659310533890755,0.22301847028990474
EOS-5-02875,CCOC(=O)C(=O)NCc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,JTGCJWHNRCLUON-UHFFFAOYSA-N,5,1,0.369,78,634,427.421,1.628,4,0.289,0.65,1.0,0.23509355081899802,0.19928380508532656,0.010991364539784798,0.0035210060996504694,0.11222243163593995
EOS-5-02876,O=C(NCc1cncc2nnc(-c3ccc(-c4cnsc4)nc3F)n12)OCc1ccccc1,BDZQBCASOOTZIZ-UHFFFAOYSA-N,5,1,0.4,14,319,461.482,3.875,5,0.383,0.6,1.0,0.18513981221300801,0.23923137550544857,0.2530069906106504,0.21150880679871154,0.22222174628195465
EOS-5-02877,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cncnc4)nc3)n12,VXSQWDKJHMSFLX-UHFFFAOYSA-N,5,1,0.3,60,869,479.483,2.857,6,0.354,0.67,1.0,0.26456377218833527,0.2957559454458228,0.40061510520183674,0.36040196011239806,0.3303341957370982
EOS-5-02878,COc1cc(-c2nnc3cncc(COc4cccnn4)n23)ccc1-c1cscn1,FZMSFGCLGQIIBZ-UHFFFAOYSA-N,5,1,0.356,14,257,417.454,3.292,5,0.415,0.71,1.0,0.3469690219998629,0.19468336645877596,0.3110650400932081,0.202522102666027,0.2638098828044685
EOS-5-02880,N#Cc1cccc(CNCc2cncc3nnc(-c4ccc(-c5nccs5)cc4C#N)n23)c1,ZFEIYVZBFJSSJZ-UHFFFAOYSA-N,5,1,0.317,14,319,448.515,3.948,5,0.418,0.68,1.0,0.2155352614625454,0.1344750188472346,0.7177198272907956,0.689911589335892,0.4394104242341169
EOS-5-02881,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)c(F)c4)n23)cc1,JZKAFUJFIVTBSC-UHFFFAOYSA-N,5,1,0.382,0,21,429.499,4.922,5,0.464,0.9,1.0,0.21024946885066137,0.23374854362278116,0.009877664313617984,0.1276900143924337,0.14539142279487355
EOS-5-02882,Fc1cnc(-c2ccc(-c3nnc4cncc(CNCC5CCCCC5)n34)cc2F)nc1,XMOGVPOXYMGHKQ-UHFFFAOYSA-N,5,1,0.376,78,830,435.482,4.196,5,0.489,0.81,1.0,0.20748235213487767,0.18162737303817422,0.028793434308820507,0.2435576725378658,0.16536520800493454
EOS-5-02883,CN(Cc1ccc(F)cn1)Cc1cncc2nnc(-c3ccc(-c4csnn4)nc3)n12,NXVPWJISHLQDLL-UHFFFAOYSA-N,5,1,0.354,85,60,433.476,2.871,5,0.403,0.65,1.0,0.19346686313480913,0.23923994243026522,0.1477794530875197,0.16378246864505516,0.18606718182441231
EOS-5-02884,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5cocn5)c4)n23)c1,FJWBGJYCDSHTCH-UHFFFAOYSA-N,5,1,0.618,24,912,404.817,4.074,5,0.436,0.77,1.0,0.7507024878349667,0.6420567473099856,0.6783890754574737,0.7037900075388939,0.69373457953533
EOS-5-02885,COc1cc(-c2nnc3cncc(CNCC4Cc5ccccc5O4)n23)ccc1-c1nccs1,BPPMAUOSHKOICY-UHFFFAOYSA-N,5,1,0.361,14,257,470.558,4.017,6,0.384,0.56,1.0,0.2538122815434172,0.12420327599204989,0.47557569734768007,0.37996024946885065,0.30838787608799945
EOS-5-02886,COC(=O)C(C)(C)NCc1cncc2nnc(-c3ccc(-c4cncs4)c(OC)c3)n12,HPOLCEGJKUMRLZ-UHFFFAOYSA-N,5,1,0.36,5,75,438.513,2.965,4,0.439,0.71,1.0,0.2486464258789665,0.08582345281337811,0.15099204989377013,0.03479884860530464,0.13006519429785485
EOS-5-02887,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)cc1,DLRVTWAXFGHHJZ-UHFFFAOYSA-N,5,1,0.545,62,504,482.931,4.724,5,0.377,0.88,1.0,0.29958536083887327,0.35947673223219795,0.6920704543896923,0.5934394489753958,0.48614299910903985
EOS-5-02888,CCOC(=O)C(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,IRXMOCNCRGSHCF-UHFFFAOYSA-N,5,1,0.381,5,966,438.469,2.103,4,0.359,0.85,1.0,0.24865499280378314,0.08243095058597766,0.02994996915907066,0.006313823589884175,0.09183743403467892
EOS-5-02889,COc1cc(-c2nnc3cncc(CNC(C)(CO)CO)n23)ccc1-c1cccnn1,PWJXBUPYPSPMQA-UHFFFAOYSA-N,5,1,0.375,5,743,421.461,1.09,4,0.383,0.63,1.0,0.33267939140566105,0.09827119457199644,0.3857943252690014,0.21455863203344527,0.2578258858200261
EOS-5-02890,Fc1cc(-c2nnc3cncc(OCCc4cccnc4)n23)ccc1-c1ncon1,GXUOGYLYXYKIHL-UHFFFAOYSA-N,5,1,0.633,35,509,403.377,2.997,5,0.426,0.76,1.0,0.8474230690151463,0.7519532588582003,0.4618857514906449,0.44287574532245905,0.6260344561716127
EOS-5-02891,CNC(=O)c1ccc(-c2nnc3cncc(-c4c(-c5ccc(C)nn5)nc(C)n4C)n23)c(F)c1F,QUNOBYMUOBQNFO-UHFFFAOYSA-N,5,1,0.318,74,26,475.463,2.903,5,0.425,0.56,0.066,0.2321122609827976,0.25944075114796794,0.19265300527722568,0.15877938455212118,0.21074635049002807
EOS-5-02892,COc1cc(-c2nnc3cncc(CNC(=O)C(C)(C)C)n23)ccc1-c1cscn1,YQJDQHYXHLYALB-UHFFFAOYSA-N,5,1,0.408,5,966,422.514,3.586,4,0.528,0.84,1.0,0.3126756219587417,0.11133575491741485,0.12160749777259955,0.02334487012541978,0.14224093619354394
EOS-5-02894,OCc1cccc(-c2ccc(-c3nnc4cncc(CNC5CCCC5)n34)c(F)c2)n1,KGGDJSGTSZUGEJ-UHFFFAOYSA-N,5,1,0.323,78,830,418.476,3.517,5,0.498,0.87,1.0,0.32500342676992666,0.19929237201014324,0.11571345349873209,0.33158282502912756,0.2428980193269824
EOS-5-02895,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c(F)n1,VVRDCJRWWMHGSZ-UHFFFAOYSA-N,5,1,0.469,62,504,486.482,4.611,5,0.352,0.8,1.0,0.3446131176752793,0.4563857857583442,0.854987663628264,0.7012370639435268,0.5893059077513536
EOS-5-02896,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5CNC5)n34)c(F)c2)cs1,KDFVNIXDUUTZAW-UHFFFAOYSA-N,5,1,0.388,78,753,423.477,2.198,5,0.511,0.79,1.0,0.26193372626961825,0.1993009389349599,0.0595058597765746,0.08708279076142827,0.15195582893564524
EOS-5-02897,COCC1CCCC1NCc1cncc2nnc(-c3ccc(-c4nncc(C)n4)c(F)c3)n12,LYSCYTWDLPGFPK-UHFFFAOYSA-N,5,1,0.327,78,830,448.506,2.996,5,0.46,0.6,0.981,0.20466383387019396,0.1494842711260366,0.11863477486121582,0.23768076211363168,0.1776159104927695
EOS-5-02898,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(CNC(=S)C(F)(F)F)n12,BERMNGVWLYLGGG-UHFFFAOYSA-N,5,1,0.352,68,585,440.411,2.823,4,0.294,0.61,0.999,0.17364299910903983,0.2594493180727846,0.5611764101158249,0.48015900212459733,0.36860693235556163
EOS-5-02899,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCC(CCO)CC5)n34)c(F)c2)n1,KDCCAPOLGAZPMX-UHFFFAOYSA-N,5,1,0.327,78,830,462.533,3.122,5,0.431,0.78,0.997,0.20467240079501062,0.1732232197930231,0.025589404427386744,0.16379103556987185,0.14181901514632306
EOS-5-02900,Cc1nccc(CCc2cncc3nnc(-c4ccc(-c5nccn5C)c(F)c4)n23)n1,GFNFQAOVWVFRMS-UHFFFAOYSA-N,5,1,0.375,85,580,414.448,3.215,5,0.439,0.69,1.0,0.3469775889246796,0.38339558632033444,0.24553663217051608,0.23465663765334796,0.3026416112672195
EOS-5-02901,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)n23)cc1F,XTGTWYLXVOBCEF-UHFFFAOYSA-N,5,1,0.432,62,504,470.439,4.088,5,0.402,0.91,1.0,0.1934754300596258,0.2749468850661367,0.8082379549037078,0.7366098965115482,0.5033175416352547
EOS-5-02902,COc1cc(-c2nnc3cncc(CNC(=O)C(C)(C)O)n23)ccc1-c1nccs1,UUNCHRXMUSAXCQ-UHFFFAOYSA-N,5,1,0.396,5,966,424.486,2.31,4,0.488,0.87,1.0,0.30209546981015695,0.0952470701117127,0.1389983551504352,0.03056678774587074,0.1417269207045439
EOS-5-02903,O=C(Nc1cccc(F)c1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)s4)n23)cc1,QRGHHMYCBFGOSK-UHFFFAOYSA-N,5,1,0.473,62,504,449.898,5.565,5,0.389,0.89,1.0,0.159918785552738,0.27495545199095334,0.8162480296072921,0.8351980673017614,0.5215800836131863
EOS-5-02904,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5(C)CC5)cc4F)n23)c(F)n1,YHHHZZAYYPWCRZ-UHFFFAOYSA-N,5,1,0.346,0,999,420.423,3.722,5,0.509,0.8,1.0,0.2592351449523679,0.30574497978205745,0.32953532999794394,0.43960318004249194,0.3335296586937153
EOS-5-02905,COc1cc(-c2nnc3cncc(CNCc4ccsc4)n23)ccc1-c1nccs1,KATPQYDJYBMZQN-UHFFFAOYSA-N,5,1,0.34,60,257,434.55,4.275,5,0.412,0.81,1.0,0.2377835652114317,0.11417997395654855,0.3222705777534096,0.2256185319717634,0.22496316222328833
EOS-5-02906,COc1cc(-c2nnc3cncc(CNC(=O)C(C)(C)O)n23)ccc1-c1ccsn1,NUCVXCCKMDHJCZ-UHFFFAOYSA-N,5,1,0.396,5,966,424.486,2.31,4,0.488,0.75,1.0,0.2995939277636899,0.0982797614968131,0.17321465286820642,0.04690391337125625,0.1544980638749914
EOS-5-02907,CCCNc1cc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1nccs1,OXRQRBWXOCFIGH-UHFFFAOYSA-N,5,1,0.374,66,233,461.473,3.915,4,0.433,0.83,1.0,0.21554382838736208,0.13821019806730175,0.5034524707011171,0.3066016722637242,0.29095204235487626
EOS-5-02908,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCCC5O)n34)cc2F)n1,COGMBCXDAYGMGL-UHFFFAOYSA-N,5,1,0.337,78,830,420.452,2.094,5,0.505,0.56,1.0,0.28873963402097186,0.21350490028099514,0.15386196970735386,0.26746795970118564,0.23089361592762664
EOS-5-02909,Cn1c(-c2ccccn2)nnc1-c1ccc(-c2nnc3cncc(CNC4CCC4)n23)cc1F,MYGSMUVQEVHKPZ-UHFFFAOYSA-N,5,1,0.343,78,830,455.501,3.43,6,0.419,0.72,1.0,0.1963453498732095,0.17323178671783976,0.03107223631005414,0.1297375094236173,0.1325967205811802
EOS-5-02910,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5cnn(C)c5)cc4F)n23)cc1,WDXLNRVSMAOVLD-UHFFFAOYSA-N,5,1,0.347,62,124,441.47,3.748,5,0.449,0.81,1.0,0.1682201357000891,0.25945788499760125,0.5967976835035296,0.4833373312315811,0.37695325885820025
EOS-5-02911,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCCCc4ccc(F)nc4)n23)cc1F,QECUFOSBVNJHDI-UHFFFAOYSA-N,5,1,0.345,14,353,460.492,3.587,5,0.281,0.7,1.0,0.19087965184017544,0.19930950585977658,0.42584469878692344,0.4367075594544582,0.3131853539853334
EOS-5-02912,O=C(NCc1cncc2nnc(-c3ccc(-c4cncs4)nc3Cl)n12)C(F)F,LSAHAEXZSLZKCG-UHFFFAOYSA-N,5,1,0.417,68,585,421.82,2.845,4,0.497,0.59,1.0,0.24054211500239875,0.3057535467068741,0.3858028921938181,0.4210900555136728,0.33829715235419094
EOS-5-02913,CC(C)(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)nc1,OXJOGBOVWGGUFZ-UHFFFAOYSA-N,5,1,0.324,63,999,432.459,3.112,5,0.502,0.85,0.898,0.17639298197519018,0.2853385648687547,0.5871513261599616,0.5087211294633678,0.38940100061681854
EOS-5-02914,OCc1csc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2Cl)n1,IUVUWGBXTXYRQT-UHFFFAOYSA-N,5,1,0.375,78,830,426.933,3.703,5,0.488,0.88,1.0,0.23510211774381468,0.1859708039202248,0.07402679734082654,0.2729679254334864,0.19201691110958813
EOS-5-02915,OCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5ccsc5)cc4F)n23)CC1,RULCGDITWIXKBL-UHFFFAOYSA-N,5,1,0.326,78,741,451.571,4.69,5,0.426,0.79,0.992,0.1963539167980262,0.1609810842300048,0.14778802001233637,0.492418271537249,0.2493853231444041
EOS-5-02916,CCn1nccc1-c1ccc(-c2nnc3cncc(COc4ccnc(F)c4)n23)nn1,DHVKRRWLWMBMLU-UHFFFAOYSA-N,5,1,0.294,53,920,417.408,2.578,5,0.388,0.61,0.702,0.3021040367349736,0.31605955726132545,0.14779658693715303,0.14593756425193613,0.22797443629634706
EOS-5-02917,COc1cc(-c2nnc3cncc(CNC(=O)C(C)NC(C)=O)n23)ccc1-c1cscn1,SDXBCPWVFFKKIV-UHFFFAOYSA-N,5,1,0.388,5,966,451.512,2.064,4,0.441,0.58,1.0,0.24581077376464944,0.06812418614214241,0.08278219450346104,0.010348845178534714,0.10176649989719691
EOS-5-02918,COc1cc(-c2nnc3cncc(CNCC4(F)CCOCC4)n23)ccc1-c1cscn1,FIQAOBCOXVFXLW-UHFFFAOYSA-N,5,1,0.404,5,743,454.531,3.532,5,0.457,0.6,1.0,0.22097525872112947,0.11418854088136522,0.07606572544719348,0.1830666164073744,0.14857403536426564
EOS-5-02919,CCc1nc(-c2nnc3cncc(COc4cccnn4)n23)ccc1-c1ncc(C)cn1,XJIZBFYKNDKMCM-UHFFFAOYSA-N,5,1,0.304,85,60,425.456,2.883,5,0.405,0.62,1.0,0.26705674730998563,0.13821876499211844,0.044942087588239324,0.028810568158453842,0.1197570420121993
EOS-5-02920,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12,VFHYJBZNUUETPV-UHFFFAOYSA-N,5,1,0.354,78,75,425.493,2.821,5,0.464,0.56,1.0,0.23779213213624836,0.2086988554588445,0.3186639024055925,0.40449592214378727,0.29241270303611816
EOS-5-02921,COc1ccc(-c2nnc3cncc(CNC(=O)C4(OC)CC4)n23)cc1-c1nccs1,UIQITPSUABNJAY-UHFFFAOYSA-N,5,1,0.402,5,966,436.497,2.719,5,0.475,0.72,1.0,0.24581934068946612,0.0889932149955452,0.019686793228702624,0.03580117880885477,0.09757513193064218
EOS-5-02922,COC(=O)C(C)(C)NCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,NBOPNLUCEHNIIE-UHFFFAOYSA-N,5,1,0.352,5,743,438.513,2.965,4,0.439,0.81,1.0,0.24582790761428278,0.08243951751079433,0.10732643410321431,0.018752998423685833,0.11358671441299431
EOS-5-02923,N#Cc1cnc(CNCc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)nc1,INPFWTUQEBZUTJ-UHFFFAOYSA-N,5,1,0.327,85,487,444.459,2.4,5,0.419,0.69,1.0,0.1792971694880406,0.2135134672058118,0.25998903433623466,0.30661023918854086,0.239852477554657
EOS-5-02924,COC(=O)C(C)(C)NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,XAZYNBUCAYEMHZ-UHFFFAOYSA-N,5,1,0.347,78,634,427.465,2.49,4,0.369,0.57,0.999,0.22672366527311355,0.19931807278459324,0.08781097937084505,0.03057535467068741,0.13610701802480982
EOS-5-02925,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)ccn1,QTCFNOHWTYPMBQ-UHFFFAOYSA-N,5,1,0.494,75,420,406.793,2.864,5,0.406,0.69,1.0,0.6101021177438147,0.5329226920704544,0.3441762045096292,0.37015112055376603,0.46433803371941607
EOS-5-02926,CCOCC1CC1CNCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,MEJWKSMUQTUVCK-UHFFFAOYSA-N,5,1,0.359,5,743,450.568,3.686,5,0.394,0.57,0.999,0.24583647453909943,0.06449181001987526,0.3039973271194572,0.2761548214652868,0.22262010828592968
EOS-5-02929,COc1cc(-c2nnc3cncc(CNC(=O)C4(O)CC4)n23)ccc1-c1cscn1,NSTCGKOUJWGAJC-UHFFFAOYSA-N,5,1,0.388,5,966,422.47,2.064,5,0.489,0.66,1.0,0.31767013912685904,0.09525563703652937,0.02995853608388733,0.05342334315674046,0.12407691385100406
EOS-5-02930,COc1cc(-c2nnc3cncc(CNCC(C)c4ccccn4)n23)ccc1-c1cnsn1,FGRKUDGDCYMLAG-UHFFFAOYSA-N,5,1,0.336,60,257,458.551,3.607,5,0.376,0.62,1.0,0.2563052566650675,0.04902851072578987,0.2747412788705366,0.15328798574463712,0.18334075800150776
EOS-5-02931,N#Cc1ccc(-c2nnc3cncc(CNCc4scnc4-c4cccc(F)c4)n23)nc1,YLQJZQLOCXCXRT-UHFFFAOYSA-N,5,1,0.384,14,348,442.483,3.61,5,0.428,0.81,1.0,0.1851483791378247,0.1946919333835926,0.4292029333150572,0.5021502981289836,0.3277983859913645
EOS-5-02932,CCc1cc(CNCc2cncc3nnc(-c4ccc(-c5cccnc5)c(OC)c4)n23)ccn1,RAFXJMGYDWNAMY-UHFFFAOYSA-N,5,1,0.363,60,41,451.534,4.109,5,0.38,0.78,1.0,0.2405506819272154,0.07193646768555959,0.48272051264478105,0.33469261873757794,0.2824750702487835
EOS-5-02933,CCOc1cnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(Cl)nn5)n34)cc2F)nc1,JMRFNDCZSYAIHL-UHFFFAOYSA-N,5,1,0.336,60,416,491.918,3.519,5,0.348,0.67,1.0,0.5284079226920705,0.5100404358851347,0.3482540607223631,0.3443218422315126,0.43275606538277017
EOS-5-02934,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4cc(-n5ncnn5)ncn4)n23)cc1,LNFBXSXLBRNBSG-UHFFFAOYSA-N,5,1,0.337,66,416,453.392,1.866,5,0.41,0.73,1.0,0.1991724350627099,0.15337365499280378,0.6267305188129669,0.5188643684463026,0.3745352443286958
EOS-5-02935,COc1cc(-c2nnc3cncc(OCCC(F)F)n23)ccc1-c1cscn1,JCSFTNKCKFGUAS-UHFFFAOYSA-N,5,1,0.506,90,947,403.414,3.957,4,0.465,0.69,1.0,0.8307432663970941,0.751961825783017,0.7024878349667604,0.5902268521691454,0.7188549448290041
EOS-5-02936,COc1cc(-c2nnc3cncc(CNC(=O)C(C)(C)O)n23)ccc1-c1cncs1,IESCOHNWHXGVCS-UHFFFAOYSA-N,5,1,0.404,5,966,424.486,2.31,4,0.488,0.74,1.0,0.2944366390240559,0.09526420396134604,0.19266157220204236,0.052172572133506956,0.15863374683023784
EOS-5-02937,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1cscn1,XBLCGEWJJASFLQ-UHFFFAOYSA-N,5,1,0.358,68,585,433.419,3.051,4,0.52,0.71,0.891,0.19636248372284285,0.20383284216297717,0.4258532657117401,0.3032006031115071,0.2823122986772668
EOS-5-02938,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCC5CC5CO)n34)cc2F)n1,KUWQHQRNTAJVSO-UHFFFAOYSA-N,5,1,0.337,78,75,420.452,1.809,5,0.465,0.49,0.999,0.2699009663491193,0.25432629703241727,0.2747498457953533,0.3604105270372147,0.2898469090535261
EOS-5-02939,COc1cc(-c2nnc3cncc(CNCc4cncc(-c5ncco5)n4)n23)ccc1-c1cnco1,AGVWUNRYVKDCLF-UHFFFAOYSA-N,5,1,0.315,60,149,481.476,3.19,6,0.342,0.65,1.0,0.34917072167774654,0.13102254814611747,0.17957131108217395,0.11185833733123159,0.1929057295593174
EOS-5-02940,COc1cc(-c2nnc3cncc(CNC4CCC(C(F)F)C4)n23)ccc1-c1nccs1,CRGXEZQFQBFLLQ-UHFFFAOYSA-N,5,1,0.364,5,743,456.522,4.447,5,0.443,0.55,1.0,0.22385374545952985,0.10467068741004729,0.4723716674662463,0.5157203070385854,0.3291541018436022
EOS-5-02941,FC(F)(F)c1ccc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)cn1,MLKOXRWZCRRISP-UHFFFAOYSA-N,5,1,0.412,27,416,451.416,3.076,5,0.424,0.79,1.0,0.17930573641285724,0.19023713247892537,0.8391645534918786,0.6579997943938044,0.4666768041943664
EOS-5-02942,Cc1cc[nH]c(=NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cc2)c1,WGXDDLAMGRNUDU-UHFFFAOYSA-N,5,1,0.327,62,504,467.464,3.074,5,0.419,0.52,1.0,0.18515694606264135,0.2392485093550819,0.5379000753889384,0.3954663833870194,0.33944297854842026
EOS-5-02943,CN(C(=O)c1ccc(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)cc1)C1CC1,AGYRNFWIDKHFEO-UHFFFAOYSA-N,5,1,0.4,0,901,430.443,2.931,5,0.524,0.83,1.0,0.20749091905969433,0.20384140908779386,0.18925193612500857,0.23768932903844836,0.20956839832773627
EOS-5-02944,COC(=O)NC(C)C(=O)NCc1cncc2nnc(-c3ccc(-c4cccnn4)c(OC)c3)n12,RLYHUNVIAOTLKG-UHFFFAOYSA-N,5,1,0.367,5,966,462.47,1.618,4,0.418,0.59,1.0,0.24866355972859983,0.06813275306695908,0.06539133712562538,0.00692207525186759,0.09727743129326298
EOS-5-02945,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccnnc4-c4ccc(F)cc4)n23)cc1F,GFIYFUHOGUJXPH-UHFFFAOYSA-N,5,1,0.354,62,341,469.455,4.086,6,0.417,0.77,1.0,0.16565005825508874,0.33019498320882734,0.5242443972311699,0.6638595709684052,0.4209872524158728
EOS-5-02947,COc1cc(-c2nnc3cncc(CNC(=O)C4COC4)n23)ccc1-c1cscn1,MLHGATJKEQVGKM-UHFFFAOYSA-N,5,1,0.388,5,966,422.47,2.186,5,0.508,0.82,1.0,0.307227057775341,0.10467925433486396,0.06972620108285929,0.05929168665615791,0.13523104996230553
EOS-5-02949,COc1cc(-c2nnc3cncc(CNCC(C)c4ccccc4)n23)ccc1-c1nccs1,SJXSLDKQBAGJIQ-UHFFFAOYSA-N,5,1,0.381,14,257,456.575,4.817,5,0.361,0.72,1.0,0.22098382564594612,0.10468782125968062,0.5514272496744569,0.4045044890686039,0.3204008464121719
EOS-5-02950,COc1cc(-c2nnc3cncc(CNC(=O)C(OC)c4ccccc4)n23)ccc1-c1cncnc1,MOTHMDWTQSDAAD-UHFFFAOYSA-N,5,1,0.402,14,257,481.516,3.261,5,0.359,0.57,0.998,0.33974710437941197,0.14180830649030224,0.5840158316770612,0.4079483928449044,0.36837990884791993
EOS-5-02951,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)s4)n23)cc1F,QNNBHSOZRHCLFG-UHFFFAOYSA-N,5,1,0.343,63,999,422.445,2.65,5,0.513,0.76,0.998,0.24867212665341648,0.23925707627989856,0.10483345898156397,0.14594613117675279,0.18467719827290796
EOS-5-02952,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c(F)c1,VJPQZYOCQUZICU-UHFFFAOYSA-N,5,1,0.511,62,504,484.466,4.348,5,0.386,0.85,1.0,0.3099684737166747,0.38340415324515115,0.7893478856829552,0.6872130080186416,0.5424833801658557
EOS-5-02953,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5ncccn5)c(F)c4)n23)CC1,SCOQMGHXLRPIOO-UHFFFAOYSA-N,5,1,0.34,78,741,427.487,3.669,5,0.49,0.73,1.0,0.23780069906106505,0.15338222191762044,0.19602837365499282,0.42395997532725654,0.2527928174902337
EOS-5-02954,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4cscn4)cc3F)n12,ROZRNEVGCRNFCO-UHFFFAOYSA-N,5,1,0.32,78,75,424.505,3.426,5,0.467,0.63,1.0,0.22944794736481391,0.23375711054759785,0.49629052155438286,0.5650486601329586,0.38113605989993826
EOS-5-02955,COc1cc(-c2nnc3cncc(COc4cnccn4)n23)ccc1-c1cscn1,RPSIIGGSQUIMQE-UHFFFAOYSA-N,5,1,0.367,14,767,417.454,3.292,5,0.415,0.75,1.0,0.3275649372901103,0.21352203413062848,0.3295438969227606,0.2055290932766774,0.26903999040504417
EOS-5-02956,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4cnsc4)c(F)c3)n12,UGEMEORGKKUQHG-UHFFFAOYSA-N,5,1,0.367,78,75,424.505,3.426,5,0.467,0.6,1.0,0.2378092659858817,0.2038499760126105,0.5611849770406415,0.6260708656020835,0.4072287711603043
EOS-5-02957,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)(F)F)n23)ccc1-c1ccncc1,IUXYKHOSMHPAAE-UHFFFAOYSA-N,5,1,0.35,68,585,427.39,2.989,4,0.526,0.84,0.997,0.21555239531217874,0.20385854293742717,0.6031457747926804,0.46196285381399493,0.3711298917140703
EOS-5-02958,COc1cc(-c2nnc3cncc(COCCCCc4ccccc4)n23)ccc1-c1cncs1,GVNQYIGGJTWVLV-UHFFFAOYSA-N,5,1,0.433,14,257,471.586,5.463,5,0.252,0.82,1.0,0.2670653142348023,0.08583201973819478,0.3706908368172161,0.34110924542526216,0.26617435405386886
EOS-5-02959,Cc1nc(-c2cccnn2)c(-c2cncc3nnc(-c4ccc(C(N)=O)c(F)c4)n23)n1C,PGHOUCUVSGVHOV-UHFFFAOYSA-N,5,1,0.33,74,768,429.419,2.195,5,0.463,0.59,0.173,0.2046809677198273,0.19932663970940992,0.11572202042354876,0.11884038105681584,0.15964250222740045
EOS-5-02960,Cc1ncc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)cc1F,ZVOFAQTWCWEILW-UHFFFAOYSA-N,5,1,0.5,62,504,442.429,4.692,5,0.436,0.85,1.0,0.14917586183263656,0.2853471317935714,0.8215852237680762,0.7745785072990199,0.507671681173326
EOS-5-02961,COc1cc(-c2nnc3cncc(CNCc4cccnc4OC)n23)ccc1-c1nccs1,FTWSCDIPCKWCDR-UHFFFAOYSA-N,5,1,0.346,60,257,459.535,3.617,5,0.376,0.81,1.0,0.2238623123843465,0.09828832842162977,0.22764032622849703,0.09668631348091289,0.16161932012884656
EOS-5-02962,COc1cc(-c2nnc3cncc(COc4cccnc4)n23)ccc1-c1cscn1,NSHWDUPUYSWDCQ-UHFFFAOYSA-N,5,1,0.372,14,257,416.466,3.897,5,0.415,0.77,1.0,0.35843156740456444,0.17324035364265644,0.489659721746282,0.36041909396203137,0.34543768418888354
EOS-5-02963,COc1cc(-c2nnc3cncc(CNC(=O)C4(OC)CC4)n23)ccc1-c1nccs1,AGAFZYQCBRLZIX-UHFFFAOYSA-N,5,1,0.388,5,966,436.497,2.719,5,0.475,0.7,1.0,0.23511068466863136,0.08584058666301145,0.020586320334452745,0.03580974573367144,0.09433683434994175
EOS-5-02964,CCCCCCC(=O)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)c(F)c3)n12,DIMMHOMPBLRSAF-UHFFFAOYSA-N,5,1,0.416,78,701,452.559,4.949,4,0.363,0.93,1.0,0.19637105064765953,0.1382273319169351,0.019695360153519293,0.031620519498320884,0.0964785655541087
EOS-5-02965,Fc1ccc(-c2nc[nH]n2)cc1-c1nnc2cncc(OCCc3cccnc3)n12,RJVBYMKSAFEUKD-UHFFFAOYSA-N,5,1,0.57,47,619,402.393,2.732,5,0.465,0.62,1.0,0.8855887190734014,0.8183297923377424,0.4405027071482421,0.43367486806935784,0.6445240216571859
EOS-5-02966,COC(C(=O)NCc1cncc2nnc(-c3ccc(-c4ncc(C)cn4)nc3)n12)c1ccccc1,RPJQOLSTKQAMKF-UHFFFAOYSA-N,5,1,0.364,52,357,466.505,2.956,5,0.389,0.63,0.819,0.21556096223699542,0.13448358577205127,0.28576691110958813,0.18566239462682477,0.2053684634363649
EOS-5-02967,COc1cc(-c2nnc3cncc(CN(C)c4cnc(C#N)cn4)n23)ccc1-c1cncnc1,OJKZXWSKXXMMRM-UHFFFAOYSA-N,5,1,0.352,82,172,450.466,2.555,5,0.38,0.63,1.0,0.20468953464464396,0.11716126379274895,0.26331300116510176,0.1508635460215201,0.18400683640600368
EOS-5-02968,COc1cc(-c2nnc3cncc(CNC4CCC(C)(CO)C4)n23)ccc1-c1cscn1,KRONKERNDVDLOD-UHFFFAOYSA-N,5,1,0.358,5,743,450.568,3.564,5,0.444,0.55,1.0,0.25135357412103354,0.029307449797820573,0.12161606469741622,0.22562709889658009,0.1569760468782126
EOS-5-02969,c1cnnc(-c2cncc(-c3nnc4cncc(OCc5cccc(-n6cccn6)n5)n34)c2)c1,FIKIXUVLUCMUBW-UHFFFAOYSA-N,5,1,0.427,6,547,448.45,2.803,6,0.378,0.59,1.0,0.19348399698444246,0.13823589884175178,0.22388801315879653,0.19660235761770956,0.1880525666506751
EOS-5-02970,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4nccn4C)c(F)c3)n12,HXSXFNWOFKIKAH-UHFFFAOYSA-N,5,1,0.343,78,75,421.48,2.703,5,0.471,0.66,1.0,0.2645723391131519,0.20386710986224385,0.4144249880063053,0.452496401891577,0.3338402097183195
EOS-5-02971,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccnc(-c5ccccn5)c4)n23)c(F)c1,GHKVNHIISYIGBE-UHFFFAOYSA-N,5,1,0.382,96,139,425.427,3.414,5,0.474,0.8,1.0,0.21025803577547802,0.2494431498869166,0.5548968542252073,0.47723768076211365,0.3729589301624289
EOS-5-02972,COc1cc(-c2nnc3cncc(CNCc4cccnn4)n23)ccc1-c1cncs1,ONEKQCRSNXPLIV-UHFFFAOYSA-N,5,1,0.341,60,41,430.497,3.003,5,0.42,0.74,1.0,0.24584504146391611,0.09829689534644644,0.20668562812692756,0.14101158248235213,0.17295978685491056
EOS-5-02973,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)cc2)cs1,ZTWTXFHMSDXBKN-UHFFFAOYSA-N,5,1,0.446,66,233,418.404,3.402,4,0.549,0.85,1.0,0.2944452059488726,0.23926564320471524,0.7256613665958468,0.5684668631348091,0.45695976972106095
EOS-5-02974,NC(=O)c1ccc(-c2nnc3cncc(CNCc4cc(-c5cncs5)ns4)n23)cc1F,FPYHTMJSKGUUKX-UHFFFAOYSA-N,5,1,0.363,14,416,466.527,2.899,5,0.378,0.66,1.0,0.19088821876499212,0.1947005003084093,0.1510006168185868,0.1385785758344185,0.16879197793160167
EOS-5-02975,O=C(CCCCC1CC1)NCc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12,UVZVFCXCLKGLIB-UHFFFAOYSA-N,5,1,0.42,78,701,451.531,4.036,5,0.386,0.75,1.0,0.185165512987458,0.15710883421287095,0.004960249468850661,0.03924508258515523,0.09661991981358371
EOS-5-02976,Fc1ccc(CCOc2cncc3nnc(C(Cl)(Cl)Cl)n23)cc1Cl,YIFYJGLHZMUENS-UHFFFAOYSA-N,5,1,0.721,68,281,410.063,4.365,3,0.6,0.74,1.0,0.49737852100609964,0.30576211363169076,0.9883404153245151,0.9917843191008155,0.6958163422657803
EOS-5-02977,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)nc1F,RFSYGBBFGFJQJM-UHFFFAOYSA-N,5,1,0.458,62,504,458.884,5.207,5,0.374,0.85,1.0,0.14918442875745322,0.280044205332054,0.787266122952505,0.7745870742238367,0.49777045781646223
EOS-5-02978,COC(=O)NC(C)C(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,IMSCVSWGOLREJN-UHFFFAOYSA-N,5,1,0.374,5,966,467.511,2.284,4,0.423,0.51,1.0,0.24585360838873277,0.0789613460352272,0.06539990405044205,0.006322390514700843,0.09913431224727572
EOS-5-02979,Fc1cc(-c2nn[nH]n2)ccc1-c1nnc2cncc(OCCc3cccnn3)n12,KKQINSLUTAJVEC-UHFFFAOYSA-N,5,1,0.489,36,6,404.369,1.522,5,0.447,0.75,1.0,0.7018967171544103,0.7431550270714824,0.1538705366321705,0.1803766020149407,0.44482472071825097
EOS-5-02980,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)c(F)c1F,RCMGLSRWGQWAGI-UHFFFAOYSA-N,5,1,0.368,0,21,462.46,3.332,5,0.502,0.91,1.0,0.19637961757247618,0.14949283805085326,0.05394592557055719,0.15329655266945377,0.1382787334658351
EOS-5-02981,O=C(Cc1ccnc(F)c1)NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,YAEVJMUQNRVUAC-UHFFFAOYSA-N,5,1,0.381,58,28,464.461,2.842,5,0.385,0.65,1.0,0.17640154890000687,0.21353060105544514,0.2599976012610513,0.2522274004523336,0.22553928791720923
EOS-5-02982,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCc6cc(F)ccc65)cc4)n23)nc1,CMKJEGYSAZSTKX-UHFFFAOYSA-N,5,1,0.471,62,504,450.477,4.504,6,0.404,0.89,1.0,0.1851740799122747,0.15339078884243712,0.41443355493112194,0.46825954355424576,0.3053144918100199
EOS-5-02983,COc1cc(-c2nnc3cncc(CNC4CCC(C(F)F)CC4)n23)ccc1-c1cncs1,NVHJUNBKLWXZRX-UHFFFAOYSA-N,5,1,0.375,5,741,470.549,4.837,5,0.417,0.73,1.0,0.23781783291069838,0.11716983071756562,0.3593482283599479,0.4985436227811665,0.30321987869234457
EOS-5-02984,Cc1nnc(-c2ccc(-c3nnc4cncc(CNCC5CC5CO)n34)cc2F)s1,VHZHSTQZQNKGSU-UHFFFAOYSA-N,5,1,0.34,78,75,425.493,2.475,5,0.469,0.55,1.0,0.2209923925707628,0.20870742238366116,0.23497361387156465,0.33791378246864506,0.2506468028236584
EOS-5-02985,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5CC5)n34)c(Cl)c2)cs1,NZKQSPMHDVDOBR-UHFFFAOYSA-N,5,1,0.404,78,753,424.917,3.903,5,0.525,0.87,1.0,0.22100095949557946,0.21859365362209582,0.05196696593790693,0.16924816667808923,0.16520243643341787
EOS-5-02986,Cc1ccc(-c2nnc3cncc(CNc4ccc(-n5ccnc5)c(F)c4)n23)cc1Br,SALODFQOCOMVFF-UHFFFAOYSA-N,5,1,0.336,14,291,478.329,4.799,5,0.393,0.81,1.0,0.24868069357823316,0.22905386882324721,0.8162565965321088,0.7623106709615517,0.5140754574737851
EOS-5-02987,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3cnc(Cl)nc3)n12,KWPQKWVERQTNOP-UHFFFAOYSA-N,5,1,0.31,85,60,454.882,2.577,5,0.305,0.56,1.0,0.16565862517990543,0.20871598930847782,0.1635340278253718,0.21456719895826193,0.18811896031800426
EOS-5-02988,Cn1cc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)c(F)n2)cn1,NLPWYTHDBJVUTK-UHFFFAOYSA-N,5,1,0.398,68,585,420.33,1.904,4,0.4,0.76,1.0,0.24586217531354945,0.28535569871838806,0.705023644712494,0.5519755328627236,0.4470542629017888
EOS-5-02989,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(-c2nccs2)nn1,SUSXYRZYDPUJFE-UHFFFAOYSA-N,5,1,0.33,52,830,458.526,4.153,6,0.408,0.75,0.998,0.18806113357549173,0.14950140497566994,0.08537797272291138,0.24053354807758207,0.1658685148379138
EOS-5-02990,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5Cl)cc4)n23)cc1,HSXHDUKNVCNTDM-UHFFFAOYSA-N,5,1,0.462,62,504,482.931,4.724,5,0.377,0.86,1.0,0.2887482009457885,0.31606812418614216,0.6891148653279419,0.590235419093962,0.47104165238845863
EOS-5-02991,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(COc3cccnn3)n12,MQJQUIJLRPJSGH-UHFFFAOYSA-N,5,1,0.374,72,487,406.406,2.818,5,0.439,0.69,1.0,0.564628880816942,0.6231409773147831,0.29661263792748954,0.3001422109519567,0.44613117675279285
EOS-5-02992,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)C1CC(F)(F)C1,KSSGHKZJWGQSNB-UHFFFAOYSA-N,5,1,0.379,78,793,446.418,2.505,5,0.469,0.52,0.978,0.15746007813035434,0.2239479816325132,0.24210129531903227,0.3604276608868481,0.24598425399218696
EOS-5-02993,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4ncc(C#N)n4C)c(OC)c3)n12,YGIUXLNPJYENSI-UHFFFAOYSA-N,5,1,0.385,5,966,432.444,1.335,4,0.463,0.81,1.0,0.2513621410458502,0.06450037694469193,0.10208347611541362,0.03793434308820506,0.11397008429854019
EOS-5-02994,COc1cc(-c2nnc3cncc(OCC4CCCO4)n23)ccc1-c1nccs1,CXNBDAGVPCLGPY-UHFFFAOYSA-N,5,1,0.456,5,548,409.471,3.481,5,0.482,0.71,1.0,0.5230964293057364,0.29576451237063944,0.10733500102803098,0.1432561167843191,0.2673630148721815
EOS-5-02995,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)c1cccnn1,QFZKAXWNEQFCPV-UHFFFAOYSA-N,5,1,0.406,53,60,434.42,1.564,5,0.409,0.69,1.0,0.16282297306558838,0.24945171681173325,0.03362517990542115,0.03480741553012131,0.12017682132821601
EOS-5-02996,O=C(Cc1ccc(Cl)nc1)NCc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12,VJPFKSKHPLWZAN-UHFFFAOYSA-N,5,1,0.431,14,325,480.916,3.356,5,0.371,0.72,1.0,0.25382084846823383,0.3057706805565074,0.3149544239599753,0.36043622781166473,0.30874554519909536
EOS-5-02997,CCc1nccc(CNCc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)c4)n23)n1,NPOGLTSQLIXWHG-UHFFFAOYSA-N,5,1,0.333,60,41,458.551,3.566,5,0.376,0.77,1.0,0.2238708793091632,0.07546604071002673,0.08039202247961072,0.040435885134672056,0.10504120690836817
EOS-5-02998,CNC(=O)c1ccc(-c2nnc3cncc(-c4nnc(-c5cccnc5)s4)n23)c(F)c1F,WXCXCGBHWZDENO-UHFFFAOYSA-N,5,1,0.327,74,26,450.434,3.01,5,0.448,0.71,0.959,0.15465869371530394,0.22395654855732985,0.31107360701802483,0.31276985813172503,0.2506146768555959
EOS-5-02999,COc1cc(-c2nnc3cncc(CNCc4cccnc4OC)n23)ccc1-c1ccsn1,YXVRPAJHQWRMFG-UHFFFAOYSA-N,5,1,0.346,60,257,459.535,3.617,5,0.376,0.74,1.0,0.21843088205057912,0.08900178192036187,0.26722808580631896,0.12974607634843396,0.17610170653142349
EOS-5-03000,COc1cc(-c2nnc3cncc(CNCC4(F)CCOCC4)n23)ccc1-c1ccsn1,RAESVEGGWIRTGJ-UHFFFAOYSA-N,5,1,0.404,5,743,454.531,3.532,5,0.457,0.61,1.0,0.20469810156946064,0.1046963881844973,0.07182509766294291,0.1803851689397574,0.14040118908916457
EOS-5-03001,COc1cc(-c2nnc3cncc(CNC(=O)C(C)c4ccccc4)n23)ccc1-c1ccsn1,OEWJWYIUFCDRRU-UHFFFAOYSA-N,5,1,0.41,62,257,470.558,4.343,5,0.38,0.64,1.0,0.22100952642039615,0.13449215269686793,0.44051127407305873,0.2969810156946063,0.27324849222123226
EOS-5-03002,CC1CCC(CF)N1Cc1cncc2nnc(-c3ccc(-c4ncsn4)cc3F)n12,KTNKZRFMODXTBC-UHFFFAOYSA-N,5,1,0.391,78,75,427.484,3.771,5,0.483,0.64,1.0,0.18234699472277432,0.26453807141388525,0.22058118017956274,0.4273182098553903,0.27369611404290317
EOS-5-03003,CCOC(=O)N(CC)Cc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,CRNGQHNAPBLBCF-UHFFFAOYSA-N,5,1,0.404,5,743,438.513,3.902,4,0.432,0.8,1.0,0.2184394489753958,0.08901034884517854,0.014940716880268658,0.003915084641217189,0.08157639983551505
EOS-5-03004,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCC(C)CC5)n34)cc2F)n1,SDKLCQWTHLBZCS-UHFFFAOYSA-N,5,1,0.324,78,830,432.507,3.759,5,0.513,0.83,1.0,0.207499485984511,0.1345007196216846,0.037583099170721675,0.16147796586937152,0.13526531766157218
EOS-5-03005,COc1cc(-c2nnc3cncc(CNCCc4ccc(Cl)nc4)n23)ccc1-c1cscn1,BRZYBDBOGCYRRY-UHFFFAOYSA-N,5,1,0.355,14,257,477.981,4.304,5,0.263,0.83,1.0,0.26458090603796863,0.15339935576725378,0.4442121855938592,0.3987132478925365,0.31522642382290456
EOS-5-03006,O=C(NCc1cncc2nnc(-c3ccc(-c4ncc(F)cn4)c(F)c3)n12)C1CCOC1,MCFVICMGVXFBBZ-UHFFFAOYSA-N,5,1,0.404,78,753,437.41,2.179,5,0.51,0.73,1.0,0.21556952916181207,0.09190596943321225,0.09701185662394626,0.2083561784661778,0.1532108834212871
EOS-5-03007,CCn1cc(CCOc2cncc3nnc(-c4ccc(-c5ccsc5)c(OC)c4)n23)c(C)n1,ANIVIBGZUWOSQH-UHFFFAOYSA-N,5,1,0.506,15,771,460.563,4.675,5,0.335,0.65,1.0,0.1793143033376739,0.16098965115482147,0.24921184291686657,0.1614865327941882,0.18775058255088756
EOS-5-03008,Fc1cc(CCOc2cncc3nnc(-c4ccc(-c5cocn5)nc4)n23)ccn1,VDLJAWICWNSDJB-UHFFFAOYSA-N,5,1,0.552,58,578,403.377,2.997,5,0.399,0.71,1.0,0.8076811047906244,0.7244191624974299,0.4653210883421287,0.4145449249537386,0.6029915701459804
EOS-5-03009,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCC(CCO)CC5)n34)cc2F)n1,BIIAHSCYJUWSMH-UHFFFAOYSA-N,5,1,0.327,78,741,462.533,3.122,5,0.431,0.71,1.0,0.18518264683709135,0.15711740113768763,0.025597971352203413,0.1637996024946885,0.13292440545541773
EOS-5-03011,N#Cc1cccc(CCNCc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)n1,VUNVBRNQZNUWRF-UHFFFAOYSA-N,5,1,0.309,14,487,457.498,3.048,5,0.371,0.72,1.0,0.17365156603385648,0.16099821807963813,0.3335874854362278,0.3638115961894318,0.25801221643478855
EOS-5-03012,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4ncc(Cl)cc4F)n23)cc1,ZESARMYCSGIAMK-UHFFFAOYSA-N,5,1,0.448,96,504,479.302,5.552,5,0.365,0.9,1.0,0.19918100198752656,0.39740250839558633,0.8565211431704476,0.8967514221095195,0.5874640189157699
EOS-5-03013,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5F)cc4)n23)cc1F,ZFQHUMVPIYXQLV-UHFFFAOYSA-N,5,1,0.433,62,504,484.466,4.348,5,0.386,0.89,1.0,0.30486258652594067,0.33506956342951133,0.7872746898773216,0.6872215749434583,0.528607103694058
EOS-5-03014,COc1cc(-c2nnc3cncc(OCCc4cnn(C)c4)n23)ccc1-c1cnco1,FRGVJWAGDFDJJW-UHFFFAOYSA-N,5,1,0.542,15,103,417.429,2.81,5,0.398,0.73,1.0,0.3326879583304777,0.15340792269207046,0.32955246384757725,0.19120519498320881,0.25171338496333356
EOS-5-03015,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC(F)(CN)C5)n34)cc2F)n(C)n1,STWZYMQLUZWMCU-UHFFFAOYSA-N,5,1,0.336,78,830,453.501,2.343,5,0.461,0.54,0.927,0.17641011582482352,0.15712596806250428,0.0519755328627236,0.1966109245425262,0.14553063532314442
EOS-5-03016,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4F)n23)cc1,IFXSNFTXZPABRX-UHFFFAOYSA-N,5,1,0.461,0,862,416.416,2.589,5,0.519,0.86,1.0,0.31268418888355837,0.2594664519224179,0.3258943869508601,0.3315913919539442,0.30740910492769513
EOS-5-03017,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5CC5CO)n34)cc2F)n(C)n1,DWURKOWBZSOWNO-UHFFFAOYSA-N,5,1,0.344,78,75,422.468,1.752,5,0.467,0.46,0.997,0.23511925159344801,0.21353916798026182,0.16660955383455556,0.24623912000548284,0.21537677335343705
EOS-5-03018,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)c(F)c1,QCCYOWVBVBZFMB-UHFFFAOYSA-N,5,1,0.304,78,741,463.561,3.845,5,0.412,0.77,0.998,0.19089678568980878,0.1455177849359194,0.041892262353505585,0.2145757658830786,0.1482206497155781
EOS-5-03019,Fc1cncnc1COc1cncc2nnc(-c3cccc(-c4nncs4)c3)n12,XBKWULCCQJYOOE-UHFFFAOYSA-N,5,1,0.467,4,506,406.406,2.818,5,0.439,0.68,1.0,0.5784730313206772,0.570068878075526,0.27475841272017,0.28509012404907136,0.42709761154136106
EOS-5-03020,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)c(OC)c1F,ABONHTINOBKCOX-UHFFFAOYSA-N,5,1,0.357,0,21,474.496,3.202,5,0.477,0.88,1.0,0.2351278185182647,0.1495099719004866,0.01970392707833596,0.03581831265848811,0.11004000753889384
EOS-5-03021,COc1cc(-c2nnc3cncc(CNC(=O)C(C)(C)C)n23)ccc1-c1nccs1,QRFGANYWRLCKJC-UHFFFAOYSA-N,5,1,0.408,5,966,422.514,3.586,4,0.528,0.88,1.0,0.28592111575628815,0.10470495510931396,0.09028682064286205,0.01411829209786855,0.12375779590158316
EOS-5-03023,COc1cc(-c2nnc3cncc(CNC(=O)C(=O)C4CC4)n23)ccc1-c1cscn1,FRIAMVUOIDSMJT-UHFFFAOYSA-N,5,1,0.388,5,966,434.481,2.519,5,0.445,0.81,1.0,0.22673223219793023,0.082448084435611,0.012576245630868343,0.016439928723185525,0.08454912274689877
EOS-5-03024,COc1cc(-c2nnc3cncc(CNCC4(F)CCOCC4)n23)ccc1-c1cncs1,XIIQVWCMBITXQX-UHFFFAOYSA-N,5,1,0.412,5,75,454.531,3.532,5,0.457,0.64,1.0,0.19090535261462546,0.12421184291686656,0.08279076142827771,0.19398944554862588,0.1479743506270989
EOS-5-03025,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCCCCC5)n34)c(F)c2)cs1,RUDDIJVCMLOCKY-UHFFFAOYSA-N,5,1,0.315,78,830,436.56,5.175,5,0.437,0.81,1.0,0.18519121376190803,0.15341648961688711,0.011616750051401548,0.12343225275854978,0.11841417654718663
EOS-5-03026,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)CC5F)cc4)n23)cc1F,GSCJTUXJDORIIX-UHFFFAOYSA-N,5,1,0.359,0,901,480.45,3.566,5,0.45,0.59,0.999,0.2619422931944349,0.2392742101295319,0.4998886299773833,0.5842043040230279,0.39632735933109453
EOS-5-03027,COc1cc(-c2nnc3cncc(CNC(=O)C(C)OC)n23)ccc1-c1cscn1,XQTUKXHJFPACQD-UHFFFAOYSA-N,5,1,0.392,5,966,424.486,2.575,4,0.486,0.54,1.0,0.2776883010074704,0.08584915358782812,0.20669419505174422,0.07657974093619355,0.16170284764580908
EOS-5-03028,COc1cc(-c2nnc3cncc(CNC(=O)C(C)C)n23)ccc1-c1csc(C)n1,ZNXHXTPGAXVMRO-UHFFFAOYSA-N,5,1,0.414,5,966,422.514,3.504,4,0.511,0.77,1.0,0.28050681927215404,0.11134432184223152,0.10484202590638064,0.02405592488520321,0.13018727297649235
EOS-5-03029,COc1cc(-c2nnc3cncc(CNCC4COC4)n23)ccc1-c1cnc(C)s1,HCFGTQYHMRODTJ-UHFFFAOYSA-N,5,1,0.371,5,75,422.514,2.968,5,0.49,0.76,1.0,0.28330820368720444,0.10817455966006442,0.11573058734836543,0.1029915701459804,0.15255123021040365
EOS-5-03030,COc1cc(-c2nnc3cncc(CNC(=O)C4(O)CCCCC4)n23)ccc1-c1cscn1,UJCDSZRHKBMOAZ-UHFFFAOYSA-N,5,1,0.374,5,966,464.551,3.235,5,0.45,0.71,1.0,0.24868926050304982,0.03223733808512096,0.0044548009046672605,0.018761565348502502,0.07603574121033513
EOS-5-03031,COC(=O)C(C)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,FWDKRNBCWSBWKW-UHFFFAOYSA-N,5,1,0.363,5,743,424.486,2.575,4,0.452,0.58,1.0,0.27493831814131997,0.08585772051264479,0.17638441505037353,0.052181139058323625,0.1473403981906655
EOS-5-03032,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5nncc(C)n5)c(F)c4)n23)C1,COMGYZBTKGHPKJ-UHFFFAOYSA-N,5,1,0.327,78,830,428.475,2.982,5,0.489,0.62,0.998,0.2210180933452128,0.13450928654650127,0.22389658008361318,0.3604447947364814,0.23496718867795216
EOS-5-03033,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(CNCc3cc(-n4nccn4)ncn3)n12,ZZCFJPZRCGDNJK-UHFFFAOYSA-N,5,1,0.27,60,644,469.448,1.376,6,0.35,0.6,1.0,0.18235556164759098,0.2038756767870605,0.08279932835309438,0.08526660270029471,0.13857429237201013
EOS-5-03034,Fc1cnccc1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,JKQJMNKQGNIADR-UHFFFAOYSA-N,5,1,0.453,2,422,405.418,3.423,5,0.442,0.79,0.999,0.6594733054622712,0.5749605921458433,0.5104602152011514,0.4833458981563978,0.5570600027414159
EOS-5-03035,Fc1cncnc1COc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,CVENMTOYLJORLZ-UHFFFAOYSA-N,5,1,0.512,24,199,406.406,2.818,5,0.439,0.63,1.0,0.5843071071208279,0.5516071550956069,0.21687170173394557,0.21718011102734563,0.39249151874443156
EOS-5-03036,COc1cc(-c2nnc3cncc(CNC4Cc5ccccc5C4)n23)ccc1-c1ccsn1,WVYQJWQLGKZZMP-UHFFFAOYSA-N,5,1,0.384,14,257,454.559,4.18,6,0.415,0.71,1.0,0.2047066684942773,0.09191453635802892,0.5344733054622712,0.48335446508121443,0.328612243848948
EOS-5-03037,COc1cc(-c2nnc3cncc(CNCc4cccnc4)n23)ccc1-c1cncnc1,YTLZXVYXGZCXRW-UHFFFAOYSA-N,5,1,0.34,60,41,424.468,2.942,5,0.425,0.79,1.0,0.2833167706120211,0.06814131999177575,0.447724624768693,0.32494345829621,0.28103154341717496
EOS-5-03038,CCOC(=O)C(=O)NCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,LDYMTPUHYXZFIF-UHFFFAOYSA-N,5,1,0.381,5,966,438.469,2.103,4,0.359,0.86,1.0,0.21557809608662876,0.08245665136042767,0.021400178192036188,0.003658076896717154,0.08077325063395245
EOS-5-03039,COc1cc(-c2nnc3cncc(CNC4(c5ccccc5)CC4)n23)ccc1-c1cnsc1,CTVUQKBOSONKCY-UHFFFAOYSA-N,5,1,0.388,14,257,454.559,4.702,6,0.384,0.62,1.0,0.2267407991227469,0.04557604002467274,0.4863785895414982,0.52547803440477,0.32104336577342196
EOS-5-03040,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)CC5)c(F)c4)n23)cc1,BAEMDXDHEBVYRQ-UHFFFAOYSA-N,5,1,0.367,0,21,433.462,4.48,5,0.478,0.91,1.0,0.17088444931807278,0.19933520663422657,0.1732232197930231,0.44923240353642657,0.24816881982043726
EOS-5-03041,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(CNCc3cc(-c4cncs4)ncn3)n12,LYJMQOBEZSNVCS-UHFFFAOYSA-N,5,1,0.297,60,869,485.512,2.919,6,0.35,0.61,1.0,0.3223476800767596,0.34512713316427934,0.21020663422657804,0.20836474539099445,0.27151154821465284
EOS-5-03042,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)nnc4OC)n23)ccc1-c1nccs1,HZPOXDAXQFSHKN-UHFFFAOYSA-N,5,1,0.484,15,777,495.952,3.997,5,0.315,0.63,1.0,0.7206240148036461,0.7199643615927627,0.2276488931533137,0.15878795147693783,0.45675630525666505
EOS-5-03043,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,HTPHMEJUWYLAGK-UHFFFAOYSA-N,5,1,0.356,5,743,436.541,3.296,5,0.431,0.57,1.0,0.2321208279076143,0.052763689945857034,0.34418477143444587,0.30983996984442463,0.23472731478308548
EOS-5-03045,COc1cc(-c2nnc3cncc(CNC(=O)C(C)(C)C)n23)ccc1-c1ccsc1,JUYDPHPCMXTCBB-UHFFFAOYSA-N,5,1,0.417,5,966,421.526,4.191,4,0.523,0.85,1.0,0.28875676787060517,0.10818312658488109,0.22058974710437942,0.07466074977725995,0.17304759783428142
EOS-5-03046,COCc1cccc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)n1,HUACNLFJMZGXQH-UHFFFAOYSA-N,5,1,0.352,78,830,418.476,3.781,5,0.492,0.86,1.0,0.30723562470015764,0.15713453498732094,0.21355630182989513,0.3701596874785827,0.2620215372489891
EOS-5-03047,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5CCCC5)n34)c(F)c2)cs1,VNQOZVQABPLVPE-UHFFFAOYSA-N,5,1,0.392,78,753,436.516,4.169,5,0.508,0.84,1.0,0.19091391953944212,0.13451785347131792,0.01309882804468508,0.07466931670207662,0.10329997943938043
EOS-5-03048,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5CCC5)n34)cc2F)cs1,BMRBXSFYAOAQML-UHFFFAOYSA-N,5,1,0.433,78,753,422.489,3.779,5,0.529,0.89,1.0,0.2431121924473991,0.1732489205674731,0.026574600781303543,0.10300013707079707,0.1364839627167432
EOS-5-03049,COc1cc(-c2nnc3cncc(CNC(=O)C4(O)CC4)n23)ccc1-c1nccs1,GWGLXXNJCZVBLZ-UHFFFAOYSA-N,5,1,0.388,5,966,422.47,2.064,5,0.489,0.71,1.0,0.2887653347954218,0.0890189157699952,0.020594887259269414,0.03481598245493798,0.1082987800699061
EOS-5-03050,COc1cc(-c2nnc3cncc(OCCCN4CCCCC4)n23)ccc1-c1cscn1,XYFOTNXOZNHVAI-UHFFFAOYSA-N,5,1,0.522,5,123,450.568,4.178,5,0.373,0.84,1.0,0.23212939483243095,0.029316016722637242,0.0017219518881502296,0.009286546501267905,0.06811347748612158
EOS-5-03051,OCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cscn5)cc4F)n23)CC1,VBDHRZOTCRRSMT-UHFFFAOYSA-N,5,1,0.309,78,741,452.559,4.085,5,0.439,0.78,1.0,0.17089301624288944,0.14951853882530328,0.07403536426564321,0.34433040915632923,0.1846943321225413
EOS-5-03052,COc1cc(-c2nnc3cncc(CNCc4ccc5cnccc5n4)n23)ccc1-c1nccs1,IATZVUOSKNFEDF-UHFFFAOYSA-N,5,1,0.298,60,217,480.557,4.156,6,0.363,0.72,1.0,0.29703241724350626,0.14181687341511892,0.30744123089575764,0.23769789596326502,0.24599710437941197
EOS-5-03053,COc1cc(-c2nnc3cncc(CNCC4(F)CCOCC4)n23)ccc1-c1cnsc1,YKPPTZRIEUJESW-UHFFFAOYSA-N,5,1,0.412,5,75,454.531,3.532,5,0.457,0.59,1.0,0.1880697005003084,0.11419710780618189,0.09965903639229662,0.22563566582139674,0.15689037763004593
EOS-5-03054,COC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)n23)c(F)c1,NVJLUMUPBYNFJJ-UHFFFAOYSA-N,5,1,0.404,83,504,485.45,4.775,5,0.36,0.88,1.0,0.30997704064149134,0.37386916592419983,0.832499485984511,0.7176941265163457,0.558509954766637
EOS-5-03055,CCC(CC)C(=O)NCc1cncc2nnc(-c3ccc(-c4ccsn4)c(OC)c3)n12,BIYYZOGYLJPYAO-UHFFFAOYSA-N,5,1,0.392,5,966,436.541,3.976,4,0.449,0.69,1.0,0.21844801590021246,0.07896991296004387,0.07404393119045988,0.040444452059488725,0.10297657802755122
EOS-5-03056,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)OCc1ccccc1,GBVAAKKFNXOQAA-UHFFFAOYSA-N,5,1,0.383,14,54,462.47,3.27,5,0.382,0.71,0.999,0.15466726064012062,0.21354773490507847,0.1327187992598177,0.11419710780618189,0.15378272565279966
EOS-5-03057,CCOCC1CC1CNCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,SESLWRBWMVDHPZ-UHFFFAOYSA-N,5,1,0.359,5,743,450.568,3.686,5,0.394,0.57,0.999,0.2155866630114454,0.06044822150640806,0.24554519909533273,0.22564423274621342,0.18680607908984992
EOS-5-03058,CCOC(=O)C(=O)NCc1cncc2nnc(-c3ccc(-c4ccsn4)nc3F)n12,UBDSZARBGYHRRU-UHFFFAOYSA-N,5,1,0.369,78,634,427.421,1.628,4,0.289,0.59,1.0,0.20471523541909395,0.17325748749228978,0.014366732917551915,0.005465698033034062,0.09945128846549242
EOS-5-03059,COc1cc(-c2nnc3cncc(CNc4cc(C#N)c(C#N)nn4)n23)ccc1-c1cnco1,GATUZCIHAMYMIJ-UHFFFAOYSA-N,5,1,0.317,60,41,450.422,2.6,5,0.404,0.63,1.0,0.22102666027002946,0.04903707765060654,0.37069940374203275,0.2554571311082174,0.22405506819272153
EOS-5-03060,COc1cc(-c2nnc3cncc(CNCc4ccc5cccnc5n4)n23)ccc1-c1cscn1,VSSUCVKGHCSXIM-UHFFFAOYSA-N,5,1,0.321,60,217,480.557,4.156,6,0.363,0.73,1.0,0.3072441916249743,0.12049379754643273,0.2966212048523062,0.2377064628880817,0.24051641422794875
EOS-5-03061,COc1cc(-c2nnc3cncc(CNC(=O)C(C)NC(C)=O)n23)ccc1-c1ccsn1,AUJCVKDQJBANOM-UHFFFAOYSA-N,5,1,0.388,5,966,451.512,2.064,4,0.441,0.6,1.0,0.2102666027002947,0.0645089438695086,0.07835309437324378,0.010357412103351381,0.09087151326159962
EOS-5-03062,CCc1cnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)nc2CC)s1,NRJHQAKMHHXUSS-UHFFFAOYSA-N,5,1,0.34,68,585,461.473,3.613,4,0.471,0.6,0.972,0.15992735247755466,0.18597937084504146,0.25616818586800083,0.15598656706188746,0.1895153690631211
EOS-5-03063,COc1cc(-c2nnc3cncc(CNCC4CC4CO)n23)ccc1-c1cscn1,KXAWEGCVLFGJFP-UHFFFAOYSA-N,5,1,0.366,5,743,422.514,2.641,5,0.45,0.54,1.0,0.29154958536083886,0.07897847988486054,0.3519292714687136,0.3443389760811459,0.2666990781988897
EOS-5-03064,COc1cc(-c2nnc3cncc(CNCCc4ccc(Cl)nn4)n23)ccc1-c1ccsc1,XABOGEPNPBLIRF-UHFFFAOYSA-N,5,1,0.351,14,41,477.981,4.304,5,0.333,0.67,1.0,0.2538294153930505,0.1534250565417038,0.33685148379137825,0.34755157288739635,0.2729143821533822
EOS-5-03065,COc1cc(-c2nnc3cncc(CNCC4CC4c4ccccc4)n23)ccc1-c1cnsn1,KYRVOHCFULLKPE-UHFFFAOYSA-N,5,1,0.404,14,257,469.574,4.212,6,0.364,0.44,1.0,0.22674936604756357,0.08902748269481187,0.554905421150024,0.5055770680556507,0.3440648344870125
EOS-5-03066,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3cccnc3)n12,XZYCKHSYTSDDRH-UHFFFAOYSA-N,5,1,0.576,47,164,402.393,2.732,5,0.465,0.69,1.0,0.8675810431087657,0.7734305393735864,0.4477331916935097,0.4303766020149407,0.6297803440477007
EOS-5-03067,COc1cc(-c2nnc3cncc(CNC4CCC(C(F)F)CC4)n23)ccc1-c1cnsc1,TXSJHWPWHDXSHP-UHFFFAOYSA-N,5,1,0.375,5,741,470.549,4.837,5,0.417,0.59,1.0,0.22387944623397985,0.1015009252278802,0.39685422520731956,0.542526214789939,0.31619020286477967
EOS-5-03068,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3F)n12,KEHRUQVOQPBLBR-UHFFFAOYSA-N,5,1,0.34,78,75,425.493,2.821,5,0.464,0.6,0.99,0.20472380234391063,0.19934377355904326,0.314962990884792,0.40165170310465353,0.2801705674730999
EOS-5-03069,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1nnc(-c2cccnc2)s1,HXXRMFFNJABUKS-UHFFFAOYSA-N,5,1,0.357,52,830,458.526,4.153,6,0.408,0.73,1.0,0.17366013295867316,0.14182544033993558,0.07183366458775958,0.2227743129326297,0.1525233877047495
EOS-5-03070,CCC(CC)C(=O)NCc1cncc2nnc(-c3ccc(-c4ncsn4)c(OC)c3)n12,SEIZQJLOAVHPNO-UHFFFAOYSA-N,5,1,0.4,5,966,437.529,3.371,4,0.45,0.7,1.0,0.21559522993626207,0.07194503461037625,0.029967103008703994,0.01262764717976835,0.08253375368377766
EOS-5-03071,COc1cc(-c2nnc3cncc(CNCc4cccnc4)n23)ccc1-c1cncs1,UFRBOJJSQMYCJQ-UHFFFAOYSA-N,5,1,0.365,60,41,429.509,3.608,5,0.423,0.81,1.0,0.22388801315879653,0.10150949215269686,0.4006236721266534,0.28782297306558835,0.25346103762593375
EOS-5-03072,c1cc(-c2nnc3cncc(CCCCCCC4CCCCC4)n23)ccc1-c1csnn1,OLHXDZJBILJRCA-UHFFFAOYSA-N,5,1,0.414,5,701,446.624,6.383,5,0.279,0.77,1.0,0.1491929956822699,0.1993523404838599,0.000805290932766774,0.02678877390172024,0.0940348502501542
EOS-5-03073,COc1cc(-c2nnc3cncc(CNC(C)(C)Cc4ccc(F)cn4)n23)ccc1-c1cscn1,LGYZDRNIDIJLLG-UHFFFAOYSA-N,5,1,0.339,14,257,489.58,4.568,5,0.341,0.63,1.0,0.434702899047358,0.3545336166129806,0.5480176135974231,0.36708416146939893,0.4260845726817901
EOS-5-03074,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCc6ccccc65)cc4)n23)cc1F,JSMPHCPVAFLQMF-UHFFFAOYSA-N,5,1,0.389,62,504,478.487,3.899,6,0.422,0.83,1.0,0.2458707422383661,0.18598793776985814,0.4144421218559386,0.4210986224384895,0.31684985607566307
EOS-5-03075,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c(F)n1,VWAXVYYMNGNKSH-UHFFFAOYSA-N,5,1,0.48,62,504,485.454,3.743,5,0.367,0.82,1.0,0.309985607566308,0.34985607566307997,0.5480261805222397,0.4492409704612432,0.41427720855321776
EOS-5-03076,CCCn1ccnc1-c1ccc(-c2cncc3nnc(-c4ccc(C(=O)NC)c(F)c4F)n23)cn1,KMIWQSQVRDMWPE-UHFFFAOYSA-N,5,1,0.284,74,836,474.475,3.765,5,0.402,0.7,0.983,0.1991895689123432,0.2038842437118772,0.3593567952847646,0.30320917003632375,0.26640994448632715
EOS-5-03077,COc1ncc(-c2nnc3cncc(CNCc4ccc(-c5cnc(C)cn5)nc4C)n23)cn1,DKQIZASLWKPOQL-UHFFFAOYSA-N,5,1,0.305,7,674,454.498,2.349,5,0.391,0.69,1.0,0.2047323692687273,0.0754746076348434,0.05951442670139127,0.018170447536152424,0.0894729627852786
EOS-5-03078,CCC(CC)C(=O)NCc1cncc2nnc(-c3ccc(-c4cncs4)c(OC)c3)n12,KVROGKWMHKDRMZ-UHFFFAOYSA-N,5,1,0.4,5,966,436.541,3.976,4,0.449,0.77,1.0,0.20750805290932767,0.08903604961962854,0.08538653964772805,0.04557604002467274,0.10687667055033925
EOS-5-03079,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC(C#N)C5)n34)c(F)c2)cs1,RRIPJAODXIYKBC-UHFFFAOYSA-N,5,1,0.317,78,830,433.516,4.144,5,0.508,0.64,0.99,0.18807826742512507,0.13824446576656843,0.32956103077239396,0.48632718799259816,0.2855527379891714
EOS-5-03080,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccc(F)nn5)cn4)n23)cc1F,ZXNUAWMDLIQIQD-UHFFFAOYSA-N,5,1,0.284,52,523,470.443,3.481,6,0.419,0.72,0.992,0.17932287026249058,0.19936090740867657,0.3820848468233843,0.4772462476869303,0.3095037180453704
EOS-5-03081,COc1cc(NCc2cncc3nnc(-c4ccc(C)cn4)n23)c(F)cc1-n1cncn1,KQDKXLACDFBRIY-UHFFFAOYSA-N,5,1,0.318,85,60,431.435,2.835,5,0.437,0.83,1.0,0.1909224864642588,0.14183400726475223,0.34826262764717975,0.22004146391611268,0.22526514632307587
EOS-5-03082,CC(c1ccc(F)c(F)c1)N(C)Cc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,OUTYAHVTNHXYPA-UHFFFAOYSA-N,5,1,0.369,22,487,482.495,4.315,5,0.333,0.62,0.999,0.23513638544308135,0.3834127201699678,0.7872832568021383,0.7494859845109999,0.5388295867315468
EOS-5-03083,Fc1cncnc1COc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,SQOOCQASKJZNFZ-UHFFFAOYSA-N,5,1,0.512,24,199,406.406,2.818,5,0.439,0.66,1.0,0.5756802138304434,0.5284593242409704,0.2784250565417038,0.27297649235830307,0.4138852717428552
EOS-5-03084,CCc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)COC)n34)c(F)c2)cs1,YEMOBQXGJPFESA-UHFFFAOYSA-N,5,1,0.398,78,753,426.477,2.879,4,0.488,0.83,1.0,0.20474093619354397,0.16870845041463917,0.09702042354876293,0.07067712973750942,0.13528673497361388
EOS-5-03085,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(-c5csnn5)c(F)c4)n23)cc1,AVYBWRLOEAZQQQ-UHFFFAOYSA-N,5,1,0.41,62,319,460.498,3.421,5,0.4,0.75,1.0,0.15467582756493728,0.19024569940374203,0.41082687958330477,0.29698958261942293,0.26318449729285176
EOS-5-03086,CCc1nc(-c2nnc3cncc(CC4CCOCC4)n23)ccc1-c1ncc(C(F)F)cn1,AXLOYYJGGLJQPU-UHFFFAOYSA-N,5,1,0.371,78,878,451.481,4.112,5,0.436,0.63,0.47,0.15468439448975396,0.17326605441710644,0.06540847097525872,0.1966194914673429,0.1474946028373655
EOS-5-03087,COc1cc(-c2nnc3cncc(CNCc4cccnc4)n23)ccc1-c1nccs1,KLXFXSVNZVHJIB-UHFFFAOYSA-N,5,1,0.35,60,257,429.509,3.608,5,0.423,0.8,1.0,0.2294565142896306,0.08586628743746146,0.31867246933040916,0.21458433280789527,0.2121449009663491
EOS-5-03088,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cc1F,JVOYFWWNWPQSOS-UHFFFAOYSA-N,5,1,0.355,0,21,462.46,3.332,5,0.502,0.92,1.0,0.17641868274964018,0.1382530326913851,0.05395449249537386,0.17472243163593995,0.13583715989308479
EOS-5-03090,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5=CCCC5F)n34)c(F)c2)cs1,CWOPNMUFGRQGGP-UHFFFAOYSA-N,5,1,0.303,78,830,424.48,4.468,5,0.512,0.69,0.941,0.22389658008361318,0.15714310191213762,0.49989719690219997,0.49855218970598314,0.3448722671509835
EOS-5-03091,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(CNCc3cc(-n4cnnn4)ncn3)n12,BLSDKVLLGDMPNC-UHFFFAOYSA-N,5,1,0.295,60,644,471.42,1.036,6,0.352,0.65,0.998,0.18519978068672469,0.1902542663285587,0.07184223151257625,0.08010931396066068,0.1318513981221301
EOS-5-03092,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1,LLNFYMSWSJXJEJ-UHFFFAOYSA-N,5,1,0.549,97,109,404.43,4.028,5,0.44,0.82,1.0,0.7235710369405798,0.5996847371667466,0.6297632101980672,0.6350147351106846,0.6470084298540195
EOS-5-03093,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNC4CCC(F)(COC)CC4)n23)cc1F,GREJNHNMQKYXJH-UHFFFAOYSA-N,5,1,0.325,78,741,481.551,4.201,5,0.406,0.63,1.0,0.28051538619697075,0.19470906723322595,0.1478051538619697,0.35709512713316427,0.24503118360633266
EOS-5-03094,CNC(=O)c1ccc(-c2nnc3cncc(CNCc4ccc(-c5ccncc5)nn4)n23)cc1,UQOYGVUTPQEEET-UHFFFAOYSA-N,5,1,0.385,60,416,451.494,2.293,5,0.386,0.81,1.0,0.21027516962511136,0.04904564457542321,0.17323178671783976,0.09669488040572956,0.13231187033102598
EOS-5-03095,OCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)CC1,WIKXAKIMUVTDKY-UHFFFAOYSA-N,5,1,0.306,78,830,453.547,3.48,5,0.442,0.74,0.993,0.16822870262490577,0.13103111507093415,0.029975669933520663,0.22278287985744638,0.13800459187170175
EOS-5-03097,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccccc5)nn4)n23)cc1F,HENYMOMKTMAPDZ-UHFFFAOYSA-N,5,1,0.307,62,302,451.465,3.947,6,0.435,0.9,1.0,0.14920156260708656,0.18163593996299088,0.3110821739428415,0.4525049688163937,0.2736061613323282
EOS-5-03098,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4cnc(Cl)nc4F)n23)cc1,HAZGCZSRZDVIHR-UHFFFAOYSA-N,5,1,0.469,96,504,480.29,4.947,5,0.289,0.82,1.0,0.18520834761154137,0.42986258652594067,0.7693526831608526,0.8084435610993078,0.5482167945994106
EOS-5-03099,CC(F)Cc1cnc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,AZDMPCNZFQNWBU-UHFFFAOYSA-N,5,1,0.309,63,306,435.438,3.18,5,0.5,0.78,0.992,0.14347885682955247,0.23928277705434858,0.2857754780344048,0.36045336166129804,0.25724761839490096
EOS-5-03100,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)c(F)c1,ZNFQJPGYICNGNM-UHFFFAOYSA-N,5,1,0.419,0,999,407.836,4.143,5,0.551,0.9,1.0,0.4418305804948256,0.6326159961620177,0.6534678911657871,0.8107309300253581,0.634661349461997
EOS-5-03102,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4cncs4)c(OC)c3)n12,ACLNKIRSCQYCJC-UHFFFAOYSA-N,5,1,0.364,5,75,436.541,3.296,5,0.431,0.6,0.998,0.21289664861901172,0.06814988691659242,0.35936536220958126,0.3219279007607429,0.24058494962648208
EOS-5-03103,CN(Cc1cncc2nnc(-c3ccc(-c4cnsc4)nc3F)n12)c1cnc(C#N)cn1,BNSSSSLFJCYWIK-UHFFFAOYSA-N,5,1,0.35,85,767,444.459,2.747,5,0.377,0.59,1.0,0.1380388595709684,0.21355630182989513,0.16971078061818928,0.14816496470426976,0.16736772668083066
EOS-5-03104,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCC(C(=O)O)C5)n34)cc2F)n1,ZJCAMZDXNLHTQK-UHFFFAOYSA-N,5,1,0.312,78,830,448.462,2.434,5,0.456,0.66,1.0,0.18236412857240764,0.10151805907751353,0.046749708724556235,0.11186690425604826,0.11062470015763143
EOS-5-03105,CCNC(=O)c1ccc(-c2nnc3cncc(Cc4cnc(C(C)(F)F)nc4)n23)cc1,HLYVAIUEUMJSSL-UHFFFAOYSA-N,5,1,0.421,66,364,423.427,3.034,4,0.512,0.73,1.0,0.22946508121444725,0.15715166883695428,0.4331008841066411,0.1912137619080255,0.252732849016517
EOS-5-03106,COc1cc(-c2nnc3cncc(CNCc4ccccn4)n23)ccc1-c1nccs1,LGYOZSXVBVXSLA-UHFFFAOYSA-N,5,1,0.364,60,217,429.509,3.608,5,0.423,0.77,1.0,0.22103522719484614,0.09192310328284559,0.24555376602014942,0.16149509971900486,0.18000179905421151
EOS-5-03107,COc1cc(-c2nnc3cncc(CNC4CCC(CO)CC4)n23)ccc1-c1cccs1,KKSILLMFSFNHDV-UHFFFAOYSA-N,5,1,0.362,5,741,449.58,4.169,5,0.441,0.74,1.0,0.22675793297238023,0.019840997875402645,0.09466451922417929,0.2702008087177027,0.1528660646974162
EOS-5-03108,CCc1nc(-c2nnc3cncc(CN(C)Cc4ccc(Cl)cn4)n23)ccc1-c1nccs1,AKXGXGVMGHHGLG-UHFFFAOYSA-N,5,1,0.343,85,690,476.997,4.553,5,0.34,0.7,0.859,0.1991981358371599,0.24946028373654994,0.09467308614899596,0.12117915153176616,0.166127664313618
EOS-5-03109,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5CCCN5)n34)c(F)c2)cs1,APUCNQDCMRJWAY-UHFFFAOYSA-N,5,1,0.37,78,753,437.504,2.731,5,0.498,0.68,1.0,0.18237269549722432,0.11717839764238229,0.029984236858337333,0.06892947707490919,0.09961620176821329
EOS-5-03110,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,RTJPKJMKNBAHSC-UHFFFAOYSA-N,5,1,0.419,0,188,407.836,4.143,5,0.551,0.93,1.0,0.44183914741964225,0.6278013844150504,0.6390840243986019,0.8107394969501748,0.6298660132958673
EOS-5-03111,Fc1cncnc1COc1cncc2nnc(-c3cncc(-c4nncs4)c3)n12,OKIBXIHFHCOTCL-UHFFFAOYSA-N,5,1,0.424,2,875,407.394,2.213,5,0.432,0.68,1.0,0.5100747035844013,0.5058769104242341,0.16971934754300597,0.18307518333219108,0.34218653622095807
EOS-5-03112,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5F)cc4)n23)c(F)c1,GEIJLTJFVHOXRU-UHFFFAOYSA-N,5,1,0.432,62,504,484.466,4.348,5,0.386,0.89,1.0,0.2749468850661367,0.3594852991570146,0.7872918237269549,0.6784833116304572,0.5250518298951408
EOS-5-03113,COc1cc(-c2nnc3cncc(Cn4ccnc4-c4ccccn4)n23)ccc1-c1cscn1,TURGHEZJBWLLRL-UHFFFAOYSA-N,5,1,0.337,28,217,466.53,4.23,6,0.362,0.72,1.0,0.20179391405661024,0.0952727708861627,0.2672366527311356,0.22565279967103008,0.19748903433623466
EOS-5-03114,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cn1,XILWUKPTEUMHPZ-UHFFFAOYSA-N,5,1,0.345,0,688,417.404,1.984,5,0.511,0.87,1.0,0.2859296826811048,0.21860222054691247,0.12685045576040024,0.16380816941950518,0.19879763210198068
EOS-5-03115,CCCCCC(=O)NCc1cncc2nnc(-c3ccc(-c4nc(C)nn4C)c(F)c3)n12,QUKUVFKIKXODGB-UHFFFAOYSA-N,5,1,0.422,78,753,436.495,3.231,4,0.426,0.82,1.0,0.18238126242204097,0.1205023644712494,0.006707902131450894,0.00547426495785073,0.07876644849564801
EOS-5-03116,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(F)c4)n23)cc1,LOYNCDKWQKSOHH-UHFFFAOYSA-N,5,1,0.712,48,378,405.433,3.302,4,0.51,0.87,1.0,0.762559111781235,0.35454218353779726,0.5344818723870879,0.4239685422520732,0.5188879274895484
EOS-5-03117,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ncc1-c1ccc(Cl)cn1,JDEQPHLPPZOBFT-UHFFFAOYSA-N,5,1,0.33,78,830,421.892,3.552,5,0.509,0.84,0.999,0.2592437118771846,0.12422040984168323,0.08280789527791105,0.23179528476458092,0.17451682544033995
EOS-5-03118,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5nc(C)nn5C)c(F)c4)n23)CC1,XKWUCBPEMAGDPC-UHFFFAOYSA-N,5,1,0.361,78,741,444.518,3.316,5,0.476,0.63,0.997,0.16283153999040503,0.14184257418956892,0.05198409978754027,0.18567096155164142,0.1355822938797889
EOS-5-03119,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)c(C(F)(F)F)c4)n23)c(F)c1,SVXYTXVXGYNXGI-UHFFFAOYSA-N,5,1,0.368,66,999,491.395,5.446,5,0.377,0.86,0.999,0.42832054005894044,0.5516157220204235,0.9917757521759989,0.9874323212939483,0.7397860838873278
EOS-5-03120,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(-c5csnn5)c(F)c4)n23)cc1F,ZBZITOJBXXTNKG-UHFFFAOYSA-N,5,1,0.385,14,678,478.488,3.56,5,0.384,0.79,1.0,0.21290521554382838,0.2543348639572339,0.5480347474470564,0.4649441436501953,0.3700547426495785
EOS-5-03121,Clc1ccc(-c2nnc3cncc(CNCc4ccc(-n5ncnn5)nn4)n23)cc1,FAHDRSMXTKPKPH-UHFFFAOYSA-N,5,1,0.383,36,416,419.84,1.5,5,0.435,0.7,0.994,0.21845658282502914,0.2957730792954561,0.05396305942019053,0.11420567473099856,0.17059959906791858
EOS-5-03122,COC(=O)NC(C)C(=O)NCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,IXPVIVVUVYKPSN-UHFFFAOYSA-N,5,1,0.374,5,966,467.511,2.284,4,0.423,0.58,1.0,0.21560379686107875,0.07548317455966007,0.048291755191556436,0.0038037146186005073,0.08579561030772394
EOS-5-03123,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4F)n23)C1,YXTJKCNWYQURCB-UHFFFAOYSA-N,5,1,0.32,78,830,432.528,4.254,5,0.478,0.64,0.97,0.18808683434994175,0.1242289767664999,0.38209341374820094,0.512250702487835,0.3016649818381194
EOS-5-03124,CCOc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cnc(C#N)cn1,WLJILRCQBGFJQG-UHFFFAOYSA-N,5,1,0.333,5,741,426.484,3.161,5,0.479,0.8,1.0,0.22947364813926394,0.10471352203413063,0.0970289904735796,0.16653245151120555,0.1494371530395449
EOS-5-03125,Fc1cnccc1COc1cncc2nnc(-c3cncc(-c4ncsn4)c3)n12,FTFLGFXUNVITBP-UHFFFAOYSA-N,5,1,0.476,2,131,406.406,2.818,5,0.439,0.72,1.0,0.570454389692276,0.5147693783839353,0.37852100609965045,0.37357789048043316,0.45933066616407375
EOS-5-03126,COc1cc(-c2nnc3cncc(CNCc4ccccc4)n23)ccc1-c1ccsn1,KRYFBJJFSVPFNV-UHFFFAOYSA-N,5,1,0.392,14,257,428.521,4.213,5,0.418,0.82,1.0,0.2184651497498458,0.1015266260023302,0.4792509080940306,0.39547495031183605,0.29867940853951064
EOS-5-03127,COc1cc(-c2nnc3cncc(CNCC4CC4CO)n23)ccc1-c1cncs1,LAZFYFAGPPRUQE-UHFFFAOYSA-N,5,1,0.374,5,75,422.514,2.641,5,0.45,0.5,1.0,0.272539579192653,0.08587485436227811,0.36676718525118224,0.36046192858611475,0.27141088684805703
EOS-5-03128,CCC1CC1CNCc1cncc2nnc(-c3ccc(-c4nccn4CC)c(F)c3)n12,HKQUVMAYFUWDQR-UHFFFAOYSA-N,5,1,0.333,78,75,419.508,3.95,5,0.468,0.59,1.0,0.25137070797066685,0.20389281063669384,0.30400589404427386,0.3767219518881502,0.2839978411349462
EOS-5-03129,COC(=O)C(C)(C)NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,ANGYVGBAUZDVDE-UHFFFAOYSA-N,5,1,0.327,78,793,428.453,1.885,4,0.362,0.5,0.999,0.1880954012747584,0.1648104996230553,0.0467582756493729,0.01477794530875197,0.10361053046398465
EOS-5-03130,COc1cc(-c2nnc3cncc(CNCc4ncccn4)n23)ccc1-c1ccsn1,QXXYCLGOVWVEJV-UHFFFAOYSA-N,5,1,0.333,60,257,430.497,3.003,5,0.42,0.71,1.0,0.22390514700842987,0.07195360153519292,0.14189397573846893,0.09281406346377905,0.1326416969364677
EOS-5-03131,CC1CCC(NCc2cncc3nnc(-c4ccc(-c5nccn5C)cc4Cl)n23)CC1,WTYGKTJOBKMDAJ-UHFFFAOYSA-N,5,1,0.33,78,741,435.963,4.514,5,0.499,0.86,1.0,0.18238982934685766,0.11420567473099856,0.07836166129806045,0.2969981495442396,0.16798882873003906
EOS-5-03132,COc1cc(-c2nnc3cncc(CNCC4CC4CF)n23)ccc1-c1nccs1,VWHATCNWDZUPTM-UHFFFAOYSA-N,5,1,0.371,5,743,424.505,3.619,5,0.466,0.55,1.0,0.2294822150640806,0.12773284901651702,0.3441933383592626,0.35389966417654717,0.2638270166541018
EOS-5-03133,Fc1cncnc1COc1cncc2nnc(-c3cnnc(-c4cncs4)c3)n12,HJOSKHYBKNBLED-UHFFFAOYSA-N,5,1,0.44,92,875,407.394,2.213,5,0.432,0.59,0.912,0.5001370707970667,0.5192670139126859,0.17639298197519018,0.19122232883284215,0.34675484887944624
EOS-5-03134,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(OCCc3ccccn3)n12,CUHLPLJMFWXDEM-UHFFFAOYSA-N,5,1,0.58,47,164,402.393,2.732,5,0.465,0.66,1.0,0.847431635939963,0.7775255294359537,0.3667757521759989,0.3604704955109314,0.5880508532657117
EOS-5-03135,CCC1CC1CNCc1cncc2nnc(-c3ccc(-c4csc(C)n4)c(F)c3)n12,CAHZFODWCRFADO-UHFFFAOYSA-N,5,1,0.353,78,75,422.533,4.498,5,0.475,0.62,1.0,0.21028373654992805,0.21861078747172916,0.3858114591186348,0.4619714207388116,0.3191693509697759
EOS-5-03136,OCC1(F)CCC(NCc2cncc3nnc(-c4ccc(-c5csnn5)nc4F)n23)C1,RLWHXVISFVDUOH-UHFFFAOYSA-N,5,1,0.323,78,793,444.471,2.187,5,0.435,0.5,0.215,0.1599359194023713,0.14552635186073606,0.11864334178603249,0.32813892125282706,0.18806113357549173
EOS-5-03137,Fc1cncc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1,VUHZYRGBZRKPPN-UHFFFAOYSA-N,5,1,0.46,2,422,405.418,3.423,5,0.442,0.77,1.0,0.6413285587005688,0.537651634569255,0.47925947501884725,0.46197998766362824,0.5300549139880748
EOS-5-03138,COc1cc(-c2nnc3cncc(CNC(C)C(F)F)n23)ccc1-c1ccsn1,SIEOSAUFVFUQKQ-UHFFFAOYSA-N,5,1,0.386,5,743,416.457,3.667,4,0.495,0.67,1.0,0.29445377287368923,0.2337656774724145,0.7786306627373039,0.6175639092591323,0.48110350558563497
EOS-5-03139,COc1cc(-c2nnc3cncc(CCC4OCCCO4)n23)ccc1-c1cncs1,SYADDUYQGBFVLK-UHFFFAOYSA-N,5,1,0.409,5,548,423.498,3.619,5,0.468,0.58,1.0,0.2513792748954835,0.1047220889589473,0.14781372078678637,0.19123089575765884,0.173786495099719
EOS-5-03140,CCN(Cc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12)c1ccc(F)cc1,NAZLGBZMCXEAGP-UHFFFAOYSA-N,5,1,0.438,14,189,431.5,4.475,5,0.395,0.8,1.0,0.159944486327188,0.19936947433349325,0.3821019806730176,0.3571036940579809,0.27462990884791993
EOS-5-03141,COc1cc(-c2nnc3cncc(CNC(=O)C(C)c4ccc(F)cc4)n23)ccc1-c1ncsn1,RAMVVUCVZJOKEI-UHFFFAOYSA-N,5,1,0.456,14,257,489.536,3.877,5,0.37,0.56,1.0,0.39685422520731956,0.4165238845863889,0.4690648344870125,0.33470118566239465,0.40428603248577893
EOS-5-03142,OCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(F)c4)n23)CC1,KBVUUHYXAWEAOH-UHFFFAOYSA-N,5,1,0.337,78,830,481.963,4.072,5,0.41,0.81,1.0,0.25925227880200125,0.24445719964361592,0.10485059283119731,0.42397710917688985,0.2581342951134261
EOS-5-03143,O=C(Nc1ccccc1F)c1ccc(-c2cncc3nnc(-c4nccnc4F)n23)c(F)c1,UUAJMRJIAATLEY-UHFFFAOYSA-N,5,1,0.366,45,961,447.38,3.918,5,0.449,0.86,1.0,0.12140189157699952,0.2543434308820506,0.7437461448838325,0.7441830580494826,0.4659186313480913
EOS-5-03144,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCCc3ccc(Cl)nn3)n12,LNKXOSLVEGPPDJ-UHFFFAOYSA-N,5,1,0.315,72,487,467.921,3.225,5,0.363,0.66,1.0,0.16284010691522172,0.18164450688780756,0.22390514700842987,0.3379223493934617,0.22657802755123024
EOS-5-03145,CNC(=O)c1ccc(-c2nnc3cncc(-c4ncc(-c5cnn(C)c5)cn4)n23)cc1F,UXGUEGZCFWJIES-UHFFFAOYSA-N,5,1,0.345,74,736,429.419,2.148,5,0.465,0.88,1.0,0.17642724967445686,0.1732746213419231,0.3040144609690905,0.22005003084092933,0.21844159070659994
EOS-5-03146,COc1cc(-c2nnc3cncc(CNCCc4ccc(Cl)nc4)n23)ccc1-c1nccs1,IINXQQUNXSVKSF-UHFFFAOYSA-N,5,1,0.355,14,257,477.981,4.304,5,0.263,0.84,1.0,0.23782639983551504,0.15343362346652045,0.3821105475978343,0.3347097525872113,0.27702008087177027
EOS-5-03147,Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4Cl)n23)nn1,MWWYILAILUHJTQ-UHFFFAOYSA-N,5,1,0.488,90,281,402.792,3.443,4,0.476,0.73,1.0,0.7738503186896032,0.8144832430950586,0.7809437324378041,0.8021126036597903,0.7928474744705641
EOS-5-03148,c1ccc(CCOc2cncc3nnc(-c4ccc(-c5nncn5CCc5ccccn5)nc4)n23)nc1,QOJAYMIWVFBCRP-UHFFFAOYSA-N,5,1,0.527,6,796,490.531,3.099,6,0.301,0.67,1.0,0.48013330135014737,0.29578164622027275,0.06753306832979233,0.07467788362689329,0.22953147488177644
EOS-5-03149,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1F)N1CCCCC1,SNRKJQCQMNOPIM-UHFFFAOYSA-N,5,1,0.337,0,825,436.878,4.272,5,0.479,0.82,1.0,0.13283873620725103,0.23929134397916524,0.013107394969501748,0.20253066959084368,0.1469420361866904
EOS-5-03150,COc1cc(-c2nnc3cncc(CN(C)CCc4ccccn4)n23)ccc1-c1cncs1,LUJRGDUDYHAZHA-UHFFFAOYSA-N,5,1,0.406,14,257,457.563,3.993,5,0.348,0.75,1.0,0.17643581659927352,0.10473065588376397,0.18278390788842436,0.12769858131725037,0.14791224042217804
EOS-5-03151,Cc1nc(-c2nnc3cncc(CCNC(=O)c4ccnc(F)c4)n23)ccc1-c1nccs1,JMLHTROFTLCQHN-UHFFFAOYSA-N,5,1,0.356,85,920,460.498,3.125,5,0.388,0.73,0.961,0.16284867384003837,0.13826159961620177,0.09468165307381263,0.07658830786101022,0.11809505859776576
EOS-5-03152,Fc1cccnc1COc1cncc2nnc(-c3ccnc(-c4nccs4)c3)n12,WCLITTOQDVUAOL-UHFFFAOYSA-N,5,1,0.57,24,912,405.418,3.423,5,0.442,0.66,1.0,0.6185662394626825,0.5655541086971421,0.3368600507161949,0.3379309163182784,0.4647278287985745
EOS-5-03153,CCC(C)(NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)C(=O)OC,ZKYYYQLVZUDUAE-UHFFFAOYSA-N,5,1,0.33,78,793,442.48,2.275,4,0.339,0.54,0.907,0.15190014392433693,0.15716023576177096,0.03228873963402097,0.014126859022685217,0.08886899458570352
EOS-5-03154,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5ccsc5)s4)n23)c(F)c1,YWAUPPITDIFSAM-UHFFFAOYSA-N,5,1,0.327,52,523,461.547,5.28,6,0.387,0.86,1.0,0.14606606812418615,0.17748954835172367,0.39686279213213627,0.5188729353711192,0.3098228359947913
EOS-5-03155,COc1cc(-c2nnc3cncc(CN(C)c4cnc(C#N)cn4)n23)ccc1-c1cnsc1,LSFPUNHWCMPCAC-UHFFFAOYSA-N,5,1,0.376,82,172,455.507,3.221,5,0.38,0.55,1.0,0.16566719210472208,0.11718696456719896,0.24922040984168323,0.14817353162908642,0.17006202453567268
EOS-5-03156,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)cc4)n23)cc1F,VHPKPIKNQYIVPJ-UHFFFAOYSA-N,5,1,0.404,0,862,416.416,2.589,5,0.519,0.92,1.0,0.2887739017202385,0.2392999109039819,0.3040230278939072,0.33159995887876087,0.29092419984922213
EOS-5-03157,COc1cc(-c2nnc3cncc(CNC4CCC(F)C4)n23)ccc1-c1cccnc1,MXQVDTRIASUSTP-UHFFFAOYSA-N,5,1,0.38,5,741,418.476,3.842,5,0.513,0.74,1.0,0.2970409841683229,0.1277414159413337,0.4477417586183264,0.5188815022959359,0.34785141525597973
EOS-5-03158,COC(=O)C(C)NCc1cncc2nnc(-c3ccc(-c4ccsc4)c(OC)c3)n12,LABFEUDLWOXHJF-UHFFFAOYSA-N,5,1,0.371,5,75,423.498,3.18,4,0.457,0.54,1.0,0.2563138235898842,0.08588342128709478,0.3040315948187239,0.13205914604893426,0.1945719964361593
EOS-5-03159,COC(=O)NC(C)C(=O)NCc1cncc2nnc(-c3ccc(-c4ccsn4)c(OC)c3)n12,JTNGDTJRJGMVGG-UHFFFAOYSA-N,5,1,0.374,5,966,467.511,2.284,4,0.423,0.55,1.0,0.2102923034747447,0.07196216846000959,0.06164759098074155,0.006031115070934137,0.0874832944966075
EOS-5-03160,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5CCC5)n34)c(F)c2)cs1,TUNFCWQEDNZNNZ-UHFFFAOYSA-N,5,1,0.4,78,753,422.489,3.779,5,0.529,0.85,1.0,0.2210437941196628,0.17328318826673977,0.025606538277020082,0.10084127201699677,0.13019369817010484
EOS-5-03161,O=C(CO)NCc1cncc2nnc(-c3ccc(-c4nnc(CO)s4)cc3F)n12,RMPPISNYPKTGPA-UHFFFAOYSA-N,5,1,0.396,78,753,415.41,0.55,4,0.415,0.77,1.0,0.315219998629292,0.2186193543965458,0.043348639572339115,0.0392536495099719,0.15411041052703722
EOS-5-03162,COc1cc(-c2nnc3cncc(CNCc4cccnc4)n23)ccc1-c1ccncc1,JBEZLMVDGZPCML-UHFFFAOYSA-N,5,1,0.354,60,149,423.48,3.547,5,0.428,0.8,1.0,0.26707388115961894,0.06045678843122473,0.548043314371873,0.4336834349941745,0.32731435473922277
EOS-5-03163,COc1cc(-c2cscn2)ccc1-c1nnc2cncc(-c3ccc4cc(F)CCC3NC4=O)n12,XMTSTVWMEXGHDI-UHFFFAOYSA-N,5,1,0.327,5,743,486.532,4.379,6,0.46,0.33,0.995,0.34227434720032895,0.2853642656432047,0.43310945103145776,0.3249520252210267,0.3464250222740045
EOS-5-03164,COc1cc(-c2nnc3cncc(CNCC4(F)CCOCC4)n23)ccc1-c1nncs1,OLIMZEFLSJDMFG-UHFFFAOYSA-N,5,1,0.4,5,75,455.519,2.927,5,0.454,0.63,1.0,0.17933143718730724,0.09193167020766226,0.029992803783154,0.0947673223219793,0.0990058083750257
EOS-5-03165,COc1cc(-c2nnc3cncc(CCC4CCCCC4)n23)ccc1-c1cnsc1,LNINEWDCLAOGEH-UHFFFAOYSA-N,5,1,0.422,5,701,419.554,5.436,5,0.416,0.81,1.0,0.2805239531217874,0.12423754369131657,0.010391679802618053,0.11421424165581523,0.13234185456788433
EOS-5-03166,COc1cc(-c2nnc3cncc(CNCC4CC4COC(C)C)n23)ccc1-c1ncsn1,MRYURBOKCWXDSC-UHFFFAOYSA-N,5,1,0.35,5,75,465.583,3.469,5,0.38,0.47,1.0,0.21030087039956138,0.056601672263724215,0.27056061956000277,0.21459289973271195,0.1880140154890001
EOS-5-03167,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5nc[nH]n5)cc4F)n23)CC1,OOZGPSADOFZSBK-UHFFFAOYSA-N,5,1,0.324,78,741,450.522,3.4,5,0.424,0.75,1.0,0.15469296141457062,0.1345264203961346,0.03108080323487081,0.18567952847645808,0.12649492838050852
EOS-5-03168,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCC5CCCCO5)n34)cc2F)n1,DNBDKJOSRSRYKK-UHFFFAOYSA-N,5,1,0.337,78,75,434.479,2.75,5,0.494,0.62,1.0,0.17090158316770612,0.13453498732095126,0.02349050784730313,0.09477588924679597,0.10592574189568911
EOS-5-03169,Fc1ccc(NCc2cncc3nnc(-c4ccc(-c5ncsn5)cc4F)n23)cc1,QTWXNBLHBVBTRM-UHFFFAOYSA-N,5,1,0.368,14,291,421.436,4.2,5,0.458,0.83,1.0,0.20751661983414432,0.23930847782879858,0.6728034404770064,0.6899201562607087,0.45238717360016445
EOS-5-03170,CCOc1ncccc1CNCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,RETPKRHWRSHDSF-UHFFFAOYSA-N,5,1,0.333,60,257,473.562,4.007,5,0.343,0.79,1.0,0.22391371393324652,0.09528133781097937,0.2561767527928175,0.12344081968336645,0.17470315605510245
EOS-5-03171,N#Cc1ccc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)c(F)c1,NYYHSLWGVHUFGO-UHFFFAOYSA-N,5,1,0.346,60,644,427.407,1.463,5,0.427,0.78,0.808,0.15995305325200465,0.23931704475361523,0.31497155780960867,0.32496059214584333,0.25980056199026796
EOS-5-03173,O=C(NCc1cncc2nnc(-c3ccc(-c4nncs4)cc3F)n12)C1CCCO1,HVWSIVHRISOQQQ-UHFFFAOYSA-N,5,1,0.374,78,753,425.449,2.244,5,0.522,0.63,1.0,0.20180248098142692,0.15344219039133714,0.027782537180453704,0.08179699814954423,0.1162060516756905
EOS-5-03174,Cc1nc(-c2ccc(-c3nnc4cncc(CC5CCOCC5)n34)c(Cl)c2)cs1,BTGDRCHQRZACTH-UHFFFAOYSA-N,5,1,0.402,78,830,425.945,4.846,5,0.467,0.78,1.0,0.15996162017682133,0.26981529710095264,0.08781954629566172,0.32496915907066,0.2106414056610239
EOS-5-03175,COc1cc(-c2nnc3cncc(CNCc4ccc5cccnc5c4)n23)ccc1-c1nccs1,WLJPSQBJKNLQLW-UHFFFAOYSA-N,5,1,0.313,60,217,479.569,4.761,6,0.353,0.78,1.0,0.2538379823178672,0.14553491878555275,0.4792680419436639,0.4045130559934206,0.32078849976012613
EOS-5-03176,COc1cc(-c2nnc3cncc(CNC(=O)C(C)F)n23)ccc1-c1cscn1,ZHCVGNTVZXSCLV-UHFFFAOYSA-N,5,1,0.429,5,966,412.45,2.898,4,0.523,0.59,1.0,0.3698598451099993,0.2800527722568707,0.28578404495922144,0.1508721129463368,0.27164219381810706
EOS-5-03177,COc1cc(-c2nnc3cncc(CNCCc4ccc(C#N)nc4)n23)ccc1-c1cncnc1,ZZWRAJGRTZWFID-UHFFFAOYSA-N,5,1,0.343,60,41,463.505,2.856,5,0.346,0.69,1.0,0.21030943732437804,0.041866561579055585,0.45846754848879445,0.33471831951202796,0.26134046672606404
EOS-5-03178,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)cc1F,MBWWYQNYTFUXNR-UHFFFAOYSA-N,5,1,0.311,52,802,475.484,4.147,6,0.384,0.79,1.0,0.16823726954972243,0.2698238640257693,0.30404016174354054,0.4145534918785553,0.2891636967993969
EOS-5-03179,COCC1CCC(NCc2cncc3nnc(-c4ccc(-c5ccsn5)cc4F)n23)CC1,ZYMNLULTUBNLKO-UHFFFAOYSA-N,5,1,0.317,78,741,452.559,4.349,5,0.449,0.7,1.0,0.16567575902953877,0.10819169350969776,0.10209204304023028,0.3539082311013639,0.18246693167020767
EOS-5-03180,Fc1cc(F)nc(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)c1,ZFNCJLQWMLYAIC-UHFFFAOYSA-N,5,1,0.536,73,420,408.328,2.488,5,0.404,0.67,1.0,0.47518161880611337,0.4298711534507573,0.4220752518675896,0.41456205880337194,0.4354225207319581
EOS-5-03181,O=C(NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3Cl)n12)C1CCCO1,WCXFFPZAIOQVEI-UHFFFAOYSA-N,5,1,0.398,78,753,441.904,2.758,5,0.507,0.66,1.0,0.1460746350490028,0.1610067850044548,0.024415735727503256,0.09885374545952985,0.10758772531012269
EOS-5-03182,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4cnsn4)c(OC)c3)n12,QCLZPXSKBNTGEU-UHFFFAOYSA-N,5,1,0.35,5,75,437.529,2.69,5,0.427,0.57,1.0,0.2103180042491947,0.03525289562058803,0.23498218079638133,0.22566136659584676,0.17655361181550272
EOS-5-03184,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1)N1CCC(F)(F)CC1,KXPMEAJRDGOTKC-UHFFFAOYSA-N,5,1,0.352,0,825,454.868,4.378,5,0.459,0.81,1.0,0.12427181139058324,0.2087245562332945,0.19951511205537661,0.5289990405044205,0.26537763004591874
EOS-5-03185,COc1cc(-c2nnc3cncc(CNC(=O)C(C)OC)n23)ccc1-c1nccs1,OXELOOCTZYPVAE-UHFFFAOYSA-N,5,1,0.392,5,966,424.486,2.575,4,0.486,0.63,1.0,0.2458793091631828,0.07898704680967719,0.1603128640943047,0.052189705983140294,0.13434223151257624
EOS-5-03186,Clc1ccc(-c2nnc3cncc(OCc4cc(-n5cncn5)cnn4)n23)cc1,QRGGSFHYGMXFLE-UHFFFAOYSA-N,5,1,0.561,36,32,405.809,2.394,5,0.438,0.76,1.0,0.5176050304982523,0.6960369405798095,0.34038962374066206,0.4114008635460215,0.4913581145911864
EOS-5-03187,COC(=O)NC(C)(C)C(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,KMCIFYNAZVHQDQ-UHFFFAOYSA-N,5,1,0.374,5,966,481.538,2.674,4,0.412,0.71,0.999,0.30211260365979026,0.10820026043451443,0.05199266671235693,0.0033411006785004456,0.11641165787129051
EOS-5-03188,COCC1CC1CCc1cncc2nnc(-c3ccc(-c4cncs4)c(OC)c3)n12,JNNMBZFMEJVKIM-UHFFFAOYSA-N,5,1,0.4,5,75,421.526,4.139,5,0.426,0.54,1.0,0.2486978274278665,0.12774998286615036,0.37852957302446716,0.38962374066205196,0.286150280995134
EOS-5-03189,Fc1cncnc1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,BFMJJZQWADFKLZ-UHFFFAOYSA-N,5,1,0.456,2,422,406.406,2.818,5,0.439,0.71,0.981,0.5460900555136728,0.5238931533136865,0.25618531971763414,0.25546569803303404,0.3954085566445069
EOS-5-03191,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC(CCO)CC5)n34)c(F)c2)cs1,PYINOCGBGTVQOA-UHFFFAOYSA-N,5,1,0.306,78,830,466.586,4.393,5,0.42,0.75,0.987,0.159970187101638,0.1534507573161538,0.059522993626207936,0.27020937564251934,0.16078832842162977
EOS-5-03192,COc1cc(-c2nnc3cncc(CNC(=O)C4Cc5ccccc5O4)n23)ccc1-c1cnsc1,JLKQNDHVQIZJDJ-UHFFFAOYSA-N,5,1,0.394,14,257,484.541,3.543,6,0.393,0.6,1.0,0.3351209649784114,0.15345932424097047,0.43686176410115823,0.3316085258035775,0.3142626447810294
EOS-5-03193,COc1cc(-c2nnc3cncc(CNCC4(C)COC4)n23)ccc1-c1nccs1,JEFGYYHHUGSNEW-UHFFFAOYSA-N,5,1,0.371,5,743,422.514,3.05,5,0.49,0.65,1.0,0.25138784182030016,0.09528990473579604,0.0828164622027277,0.0818055650743609,0.1278249434582962
EOS-5-03194,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,BKMTWYGIACEHCC-UHFFFAOYSA-N,5,1,0.356,5,743,436.541,3.296,5,0.431,0.58,1.0,0.20181104790624357,0.0527722568706737,0.2822459050099376,0.2522359673771503,0.1972662942910013
EOS-5-03196,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)c(F)c1,DREVQCLQOGTUCC-UHFFFAOYSA-N,5,1,0.495,62,504,486.894,4.602,5,0.376,0.83,1.0,0.30212117058460697,0.4069888972654376,0.802249674456857,0.7623192378863684,0.5684197450483175
EOS-5-03197,COC(=O)C(C)NCc1cncc2nnc(-c3ccc(-c4cncs4)c(OC)c3)n12,YCFJQDUMSISKSM-UHFFFAOYSA-N,5,1,0.371,5,75,424.486,2.575,4,0.452,0.63,1.0,0.235144952367898,0.09194023713247892,0.1860736070180248,0.0562589952710575,0.1423544479473648
EOS-5-03198,Fc1cncnc1COc1cncc2nnc(-c3cncc(-c4cscn4)c3)n12,FVQHPGGLYQUXCI-UHFFFAOYSA-N,5,1,0.456,2,422,406.406,2.818,5,0.439,0.67,0.981,0.5409156329244055,0.5239017202385032,0.3186810362552258,0.3159567541635255,0.424863785895415
EOS-5-03199,OC1CCN(Cc2nc(-c3nnc4cncc(OCCc5ccc(Cl)cn5)n34)ccc2Cl)C1,QKVCPRFVHZGMEG-UHFFFAOYSA-N,5,1,0.39,90,473,486.363,3.076,5,0.426,0.63,1.0,0.3491792886025632,0.22396511548214654,0.07607429237201015,0.3032177369611404,0.23810910835446508
EOS-5-03200,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4cnc(F)nn4)c(F)c3)n12,HFDSCLVEMNRKIY-UHFFFAOYSA-N,5,1,0.412,78,753,412.36,1.184,4,0.501,0.75,1.0,0.3720529778630663,0.2594750188472346,0.18279247481324104,0.15879651840175452,0.24327924748132412
EOS-5-03201,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4C)n23)ccc1-c1cncs1,SVDXANKEZNUQPT-UHFFFAOYSA-N,5,1,0.4,5,966,420.498,3.196,5,0.515,0.7,1.0,0.2670824480844356,0.10473922280858063,0.23856315536974848,0.1692567336029059,0.19491038996641766
EOS-5-03202,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cc4)n23)c(F)c1F,WTKOICZZTOLFOQ-UHFFFAOYSA-N,5,1,0.355,0,901,480.45,3.28,5,0.484,0.77,1.0,0.2351535192927147,0.20873312315811116,0.2893821533822219,0.40166027002947025,0.2837322664656295
EOS-5-03203,CC(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)c(F)n1,PRVUBOLWEIYMQY-UHFFFAOYSA-N,5,1,0.465,62,504,488.91,4.951,5,0.339,0.64,0.999,0.3397556713042286,0.47848845178534716,0.8454012747584128,0.7840449592214379,0.6119225892673567
EOS-5-03204,Fc1ccncc1CCOc1cncc2nnc(-c3ccc(-c4cocn4)nc3)n12,CAYJXODSPGNXAR-UHFFFAOYSA-N,5,1,0.54,58,981,403.377,2.997,5,0.426,0.75,1.0,0.7625676787060517,0.6667123569323555,0.4690734014118292,0.43671612637927487,0.5837673908573778
EOS-5-03205,O=C(CCc1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12)N1CCc2c(F)cccc21,FMCAVBMSSQVRRA-UHFFFAOYSA-N,5,1,0.404,52,886,471.521,3.971,6,0.385,0.71,1.0,0.14608320197381947,0.2444657665684326,0.03493591940237133,0.09090363922966212,0.12909713179357138
EOS-5-03206,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)cc1F,DBKCHAGLRROVPM-UHFFFAOYSA-N,5,1,0.511,62,504,486.894,4.602,5,0.376,0.87,1.0,0.3048711534507573,0.392562195874169,0.8004249194709068,0.769935234048386,0.5669483757110547
EOS-5-03207,CCc1nc(-c2ccc(-c3nnc4cncc(CNCC5CCCO5)n34)cc2F)cs1,CPZHNHIJDDTSIM-UHFFFAOYSA-N,5,1,0.34,78,75,438.532,3.885,5,0.472,0.57,1.0,0.15190871084915358,0.14185114111438557,0.06541703790007539,0.1665410184360222,0.13142947707490918
EOS-5-03208,COCc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)c(F)n1,MUJYZNWHDBHEAH-UHFFFAOYSA-N,5,1,0.465,62,504,488.91,5.045,5,0.336,0.84,1.0,0.35132958673154685,0.44308991844287576,0.7693612500856692,0.7310413953807141,0.5737055376602015
EOS-5-03209,COc1cc(-c2nnc3cncc(CNC4CCC(CO)CC4)n23)ccc1-c1ccsc1,RDRIRWMSQQYMLV-UHFFFAOYSA-N,5,1,0.37,5,741,449.58,4.169,5,0.441,0.76,1.0,0.2156123637858954,0.01383558357891851,0.11865190871084916,0.3098485367692413,0.1644870982112261
EOS-5-03210,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4cocn4)c3)n12,DXLUKHHISLYMPV-UHFFFAOYSA-N,5,1,0.564,75,583,403.377,2.997,5,0.399,0.68,1.0,0.8151771640052087,0.5655626756219587,0.4258618326365568,0.38594852991570144,0.5481375505448565
EOS-5-03211,Fc1cccc(COc2cncc3nnc(-c4ccc(-c5csnn5)nc4)n23)c1,XDMFBWDQTGRPOC-UHFFFAOYSA-N,5,1,0.568,43,389,405.418,3.423,5,0.442,0.79,1.0,0.5843156740456446,0.5950157631416627,0.5034610376259337,0.5325543143033377,0.5538366972791446
EOS-5-03212,Fc1cccnc1COc1cncc2nnc(-c3ccnc(-c4cscn4)c3)n12,VJFKHXVZYBNNPS-UHFFFAOYSA-N,5,1,0.57,24,912,405.418,3.423,5,0.442,0.64,1.0,0.6101106846686314,0.5420893016242889,0.4077684874237544,0.4016688369542869,0.49040932766774037
EOS-5-03213,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(Cl)c(-c5cncs5)n4)n23)c(F)c1F,NTOVZHKOFVHFNR-UHFFFAOYSA-N,5,1,0.33,96,26,483.891,4.268,5,0.41,0.62,0.928,0.23213796175724763,0.3925707627989857,0.6646734288259887,0.6753735179220067,0.4911889178260571
EOS-5-03214,CCOc1ncccc1CNCc1cncc2nnc(-c3ccc(-c4cncs4)c(OC)c3)n12,QZVZTGJKDVYZEI-UHFFFAOYSA-N,5,1,0.346,60,41,473.562,4.007,5,0.343,0.76,1.0,0.20181961483106023,0.12051093139606607,0.2705691864848194,0.13206771297375094,0.18124186142142418
EOS-5-03215,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cccn4)nn3)n12,VCLOWCFCZKQOCA-UHFFFAOYSA-N,5,1,0.288,60,84,468.46,1.981,6,0.36,0.61,1.0,0.14921012953190324,0.1859965046946748,0.13272736618463438,0.13858714275923514,0.1516302857926119
EOS-5-03216,COc1cc(-c2nnc3cncc(CNCc4cncn4CCC#N)n23)ccc1-c1cscn1,KEPNANXGCZAJSV-UHFFFAOYSA-N,5,1,0.304,5,743,471.55,3.323,5,0.348,0.67,1.0,0.22949078198889727,0.04558460694948941,0.192670139126859,0.13420087725310123,0.15048660132958674
EOS-5-03217,Fc1ncccc1CCOc1cncc2nnc(-c3ccnc(-c4ncon4)c3)n12,NWHPYYGHZDVICQ-UHFFFAOYSA-N,5,1,0.562,75,359,404.365,2.392,5,0.393,0.67,1.0,0.729782057432664,0.5192755808375026,0.24556233294496607,0.23771502981289835,0.43308375025700774
EOS-5-03218,COC(=O)C(C)NCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,KFRQDPPAHUQULF-UHFFFAOYSA-N,5,1,0.363,5,743,424.486,2.575,4,0.452,0.64,1.0,0.23783496676033172,0.07899561373449386,0.1357257898704681,0.03376225070248783,0.12157965526694539
EOS-5-03219,COc1cc(-c2nnc3cncc(CNCc4cccnc4)n23)ccc1-c1cccnn1,KLCVVZAHOYGQEI-UHFFFAOYSA-N,5,1,0.343,60,257,424.468,2.942,5,0.425,0.76,1.0,0.24588787608799945,0.06451751079432527,0.36678431910081555,0.26433246521828524,0.23538054280035636
EOS-5-03220,CC(F)(F)C(=O)NCc1cncc2nnc(-c3ccc(-c4cnsc4)nc3F)n12,YCXHNEBVRGJPGS-UHFFFAOYSA-N,5,1,0.412,68,585,419.392,2.72,4,0.5,0.59,1.0,0.22105236104447948,0.24447433349324926,0.5141011582482352,0.4079569597697211,0.3468962031389213
EOS-5-03221,Fc1cncnc1COc1cncc2nnc(-c3cc(-c4nccs4)ncn3)n12,KLJSYYBFVJZTFW-UHFFFAOYSA-N,5,1,0.402,46,726,407.394,2.213,5,0.432,0.6,0.838,0.5025872112946337,0.4608577205126448,0.10210060996504694,0.11187547118086491,0.2943552532382976
EOS-5-03222,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4cccnc4F)n23)cc1,KKPHWEGWCYMTOC-UHFFFAOYSA-N,5,1,0.511,62,504,444.857,4.898,5,0.398,0.93,1.0,0.09591529024741278,0.3057792474813241,0.8143975738468919,0.8211740113768762,0.5093165307381262
EOS-5-03223,Fc1cc(F)nc(COc2cncc3nnc(-c4cccc(-c5ncon5)c4)n23)c1,IEFJJJSPDQDSHK-UHFFFAOYSA-N,5,1,0.556,4,921,407.34,3.094,5,0.41,0.76,1.0,0.5050887533411007,0.45639435268316086,0.603154341717497,0.5842128709478446,0.5372125796724008
EOS-5-03224,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)c(F)c1F,AODDOBLYJFVVKW-UHFFFAOYSA-N,5,1,0.33,0,21,480.45,3.471,5,0.483,0.89,1.0,0.2156209307107121,0.25435199780686724,0.11274929751216503,0.28783153999040506,0.21763844150503736
EOS-5-03226,COc1cc(-c2nnc3cncc(CNCC4CC4CO)n23)ccc1-c1nccs1,AGMSCSYXRAUOLF-UHFFFAOYSA-N,5,1,0.366,5,743,422.514,2.641,5,0.45,0.48,1.0,0.2592608457268179,0.07197073538482626,0.2893907203070386,0.285098690973888,0.22643024809814272
EOS-5-03227,CN(Cc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12)c1ccc(C#N)nn1,WNZZRIOISFJQAA-UHFFFAOYSA-N,5,1,0.352,72,487,444.459,2.747,5,0.403,0.71,1.0,0.11896888492906586,0.20874169008292784,0.2102152011513947,0.2171886779521623,0.1887786135288877
EOS-5-03228,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4cnsc4)c(OC)c3)n12,WMWCEXHJDHMWAX-UHFFFAOYSA-N,5,1,0.364,5,75,436.541,3.296,5,0.431,0.53,0.998,0.19638818449729284,0.05278082379549037,0.3931447467617024,0.36382016311424853,0.2515334795421835
EOS-5-03229,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5)cc4F)n23)c(F)c1,ZMYQCUPETPXOBN-UHFFFAOYSA-N,5,1,0.417,62,504,484.466,4.348,5,0.386,0.85,1.0,0.26990953327393596,0.3006990610650401,0.7693698170104859,0.6580083613186211,0.4994966931670207
EOS-5-03230,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ccsn4)c(OC)c3)n12,UIEGMEGVEVHSAT-UHFFFAOYSA-N,5,1,0.356,5,743,436.541,3.296,5,0.431,0.64,1.0,0.19639675142210952,0.04905421150023987,0.3295695976972106,0.30661880611335757,0.22040984168322938
EOS-5-03231,Fc1cncnc1CCOc1cncc2nnc(-c3ccnc(-c4ncon4)c3)n12,RGNXEMUUVKUXCW-UHFFFAOYSA-N,5,1,0.478,75,359,405.353,1.787,5,0.412,0.66,1.0,0.6561664724830375,0.4564029196079775,0.10210917688986361,0.1142228085806319,0.3322253443903776
EOS-5-03232,Cc1nc(-c2ccc(-c3ccc(-c4nnc5cncc(CNC6CCC6)n45)cc3F)nc2)cs1,YILWIIIBJKIHCQ-UHFFFAOYSA-N,5,1,0.324,52,830,471.565,5.066,6,0.373,0.83,1.0,0.17366869988348982,0.14952710575011993,0.21022376807621138,0.36709272839421564,0.22512807552600916
EOS-5-03233,COc1cc(-c2nnc3cncc(COc4cncnc4)n23)ccc1-c1cncnc1,IPZRTWSVEXWJOZ-UHFFFAOYSA-N,5,1,0.361,82,767,412.413,2.626,5,0.415,0.69,1.0,0.4011805222397368,0.15716880268658762,0.4550579124117607,0.31596532108834213,0.33234313960660683
EOS-5-03234,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cc1F,QHHCTOIUWQUGSM-UHFFFAOYSA-N,5,1,0.381,0,21,448.433,3.071,5,0.516,0.91,1.0,0.14609176889863615,0.12424611061613323,0.048300322116373105,0.19399801247344253,0.12815905352614626
EOS-5-03236,CCOCC1CC1CNCc1cncc2nnc(-c3ccc(-c4nncs4)c(OC)c3)n12,DANWQZPAOOEFPV-UHFFFAOYSA-N,5,1,0.356,5,75,451.556,3.081,5,0.393,0.65,0.98,0.18521691453635802,0.04559317387430608,0.16972791446782262,0.16381673634432184,0.14108868480570214
EOS-5-03237,Clc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(CNCc3cc(-c4ncco4)cnn3)n12,UUXSYKOKWXJFKR-UHFFFAOYSA-N,5,1,0.312,60,84,485.899,2.965,6,0.345,0.61,1.0,0.29960249468850664,0.3160766911109588,0.1828010417380577,0.22005859776574602,0.2546347063258173
EOS-5-03238,CNC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsn5)c(OC)c4)n23)C1,KNYRQGSHELLJMQ-UHFFFAOYSA-N,5,1,0.33,5,741,464.555,2.323,5,0.428,0.56,1.0,0.22392228085806318,0.012422040984168324,0.0234990747721198,0.03582687958330478,0.07391756904941402
EOS-5-03239,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1,TVGVWDPBNCWCGS-UHFFFAOYSA-N,5,1,0.44,0,862,416.416,2.589,5,0.519,0.9,1.0,0.2699181001987527,0.23377424439723116,0.3149801247344253,0.33161709272839424,0.28757239051470085
EOS-5-03240,COc1cc(-c2nnc3cncc(CNCCCc4cccs4)n23)ccc1-c1cncs1,SVMBBDZMDUOGQJ-UHFFFAOYSA-N,5,1,0.351,60,41,462.604,4.707,5,0.32,0.82,1.0,0.19349256390925912,0.04187512850387225,0.1860821739428415,0.15599513398670414,0.14436125008566925
EOS-5-03241,COc1cc(-c2nnc3cncc(CNC(=O)C4(C)CC4)n23)ccc1-c1cnsn1,WFTTWKUDAPENGF-UHFFFAOYSA-N,5,1,0.388,5,966,421.486,2.735,5,0.51,0.72,1.0,0.2513964087451169,0.0983054622712631,0.008155712425467754,0.016448495648002194,0.09357651977246248
EOS-5-03242,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5CCCO5)n34)cc2F)cs1,YENQOLBAFLLVDW-UHFFFAOYSA-N,5,1,0.352,78,75,424.505,3.631,5,0.509,0.67,1.0,0.1935011308340758,0.15346789116578713,0.1157391542731821,0.24054211500239875,0.17581257281886092
EOS-5-03243,C=C(F)C(=O)NCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,AALDAENBAUBEJM-UHFFFAOYSA-N,5,1,0.424,5,966,410.434,3.023,4,0.491,0.71,1.0,0.4052583784524707,0.32572304845452676,0.09241141799739566,0.03679494208758824,0.21504694674799532
EOS-5-03244,N#Cc1cc(-c2nnc3cncc(-c4ncc(-c5cccnc5)cn4)n23)ccc1Cl,OQLVCHWUMMSOJL-UHFFFAOYSA-N,5,1,0.354,82,261,410.828,3.835,5,0.445,0.83,1.0,0.3250119936947433,0.5239102871633199,0.7485521897059831,0.8084521280241245,0.6014816496470428
EOS-5-03245,O=C(CCCCC1CCCCC1)NCc1cncc2nnc(-c3ccc(-c4ncon4)c(F)c3)n12,KAUJCCCGUCTMFN-UHFFFAOYSA-N,5,1,0.416,78,701,477.544,4.737,5,0.347,0.85,1.0,0.2018281817558769,0.17749811527654033,0.0013964087451168528,0.017091015009252277,0.0994534301966966
EOS-5-03246,N#Cc1ccc(-c2nnc3cncc(CNCc4cncc(-c5cccnc5)n4)n23)cc1,GIDZHLAEFSKXPH-UHFFFAOYSA-N,5,1,0.411,60,416,419.452,2.805,5,0.446,0.8,1.0,0.25384654924268385,0.14185970803920225,0.4108354465081214,0.4145706257281886,0.305278082379549
EOS-5-03247,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC(F)(F)CC4)n23)ccc1-c1cncs1,IRWUCJZXLQPRMK-UHFFFAOYSA-N,5,1,0.404,5,966,484.532,4.365,5,0.437,0.76,1.0,0.304879720375574,0.19471763415804264,0.14484099787540264,0.28510725789870467,0.232386402576931
EOS-5-03248,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)c(F)c4)n23)cc1,BVGFGQUZSLJEJD-UHFFFAOYSA-N,5,1,0.43,0,21,458.497,3.713,5,0.502,0.89,1.0,0.14348742375436913,0.13454355424576794,0.005954012747584127,0.042920293331505724,0.08172632101980673
EOS-5-03249,COc1cc(-c2nnc3cncc(CNC(=O)C4(C)CCC4)n23)ccc1-c1cncs1,MXWJFSGNIWQVAB-UHFFFAOYSA-N,5,1,0.4,5,966,434.525,3.73,5,0.497,0.72,1.0,0.1764443835240902,0.0890446165444452,0.008592625591117812,0.025041121239120005,0.07478068672469329
EOS-5-03250,COc1cc(-c2nnc3cncc(Br)n23)ccc1-c1ccc(C#N)nn1,UWBPXRJLBJUKCI-UHFFFAOYSA-N,5,1,0.565,36,947,408.219,2.891,4,0.514,0.84,1.0,0.4676427249674457,0.4118292097868549,0.5411726406689055,0.47126653416489617,0.4729777773970255
EOS-5-03251,Fc1cc(F)nc(COc2cncc3nnc(-c4cncc(-c5ncon5)c4)n23)c1,FFCYPOLVMCUUJF-UHFFFAOYSA-N,5,1,0.5,2,131,408.328,2.488,5,0.404,0.74,1.0,0.45365293674182716,0.429879720375574,0.46532965526694536,0.4555547940511274,0.4511042766088684
EOS-5-03252,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cc(C)[nH]n5)cc4F)n23)CC1,STLMZIUSNUBTIZ-UHFFFAOYSA-N,5,1,0.306,78,741,463.561,4.314,5,0.404,0.78,0.999,0.1461003358234528,0.1455434857103694,0.07185079843739291,0.27021794256733606,0.15842814063463778
EOS-5-03253,COCCC(=O)NCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)nc3F)n12,JDPMEDXYDJXDQX-UHFFFAOYSA-N,5,1,0.371,78,753,442.842,2.088,4,0.432,0.76,1.0,0.1492186964567199,0.11719553149201563,0.04676684257418957,0.06377218833527518,0.09423831471455008
EOS-5-03254,COc1cc(-c2nnc3cncc(CNC(=O)C4(C)CC4)n23)ccc1-c1cscn1,ZGXQXDFLKGDHBG-UHFFFAOYSA-N,5,1,0.396,5,966,420.498,3.34,5,0.514,0.77,1.0,0.25926941265163456,0.1047477897333973,0.01560037009115208,0.0337708176273045,0.10334709752587211
EOS-5-03255,COc1cc(-c2nnc3cncc(CNCC4CC4CO)n23)ccc1-c1cnsc1,MONIHFSYNAQFPK-UHFFFAOYSA-N,5,1,0.374,5,75,422.514,2.641,5,0.45,0.43,1.0,0.25140497566993353,0.07549174148447674,0.4041446782263039,0.40167740387910356,0.28317969981495444
EOS-5-03256,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cc4)n23)cc1F,GNMLYBBOHYFRKT-UHFFFAOYSA-N,5,1,0.383,0,901,448.433,2.88,5,0.517,0.81,1.0,0.157468645055171,0.09831402919607977,0.17324035364265644,0.3032263038859571,0.1830623329449661
EOS-5-03257,COC(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c(F)n1,MXBVWALOHFGKKJ-UHFFFAOYSA-N,5,1,0.451,62,504,488.454,4.021,5,0.274,0.62,0.998,0.3513381536563635,0.3641457062572819,0.8788636830923172,0.7887139332465218,0.595765369063121
EOS-5-03258,CCOc1ncccc1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)c(OC)c3)n12,AULGHEJWADHHDX-UHFFFAOYSA-N,5,1,0.34,60,172,474.55,3.402,5,0.343,0.65,1.0,0.21562949763552874,0.08905318346926187,0.13273593310945103,0.05484545267630731,0.12306601672263724
EOS-5-03259,COc1cc(-c2nnc3cncc(CN(C)CCCc4ccccn4)n23)ccc1-c1cscn1,LVHXKRGPRNLQJL-UHFFFAOYSA-N,5,1,0.39,14,257,471.59,4.383,5,0.315,0.75,1.0,0.20474950311836063,0.0755003084092934,0.11866047563566583,0.09478445617161264,0.12342368583373313
EOS-5-03260,Cc1nnc(-c2ccc(-c3nnc4cncc(CNC5CCC(CCO)CC5)n34)c(F)c2)s1,AERPWPNDTUXBPT-UHFFFAOYSA-N,5,1,0.303,78,830,467.574,3.788,5,0.426,0.76,0.999,0.16285724076485505,0.1242546775409499,0.017964841340552394,0.14595469810156947,0.1127578644369817
EOS-5-03261,COc1cc(-c2nnc3cncc(CNCC4CC4CO)n23)ccc1-c1ccsn1,GPRUEGDAJGKHFR-UHFFFAOYSA-N,5,1,0.366,5,743,422.514,2.641,5,0.45,0.51,1.0,0.2514135425947502,0.07550887533411006,0.33686861764101156,0.3411178123500788,0.25122721197998765
EOS-5-03262,COc1cc(-c2nnc3cncc(CN4CCCC4CF)n23)ccc1-c1nccs1,XTVVRDQYZUFDCE-UHFFFAOYSA-N,5,1,0.421,5,743,424.505,3.857,5,0.468,0.67,1.0,0.1881039681995751,0.1571773696114043,0.028802001233637173,0.12344938660818312,0.12438318141319991
EOS-5-03263,CCc1nc(-c2nnc3cncc(CCc4cnc(C#N)nc4)n23)ccc1-c1cncs1,JAFROWBPASCULA-UHFFFAOYSA-N,5,1,0.309,85,580,439.508,3.319,5,0.395,0.66,0.197,0.13284730313206772,0.16481906654787198,0.07185936536220958,0.07659687478582689,0.11153065245699403
EOS-5-03264,COc1cc(-c2nnc3cncc(CNCC4CC4CO)n23)ccc1-c1ncsn1,IWLWHWNFPVQTSC-UHFFFAOYSA-N,5,1,0.374,5,75,423.502,2.036,5,0.443,0.45,1.0,0.25142210951956684,0.05278939072030704,0.18609074086765814,0.19944657665684326,0.1724372044410938
EOS-5-03265,CCNC(=O)c1ccc(-c2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)cc1,BEJSQPDMGHIQCJ-UHFFFAOYSA-N,5,1,0.35,62,124,445.483,3.866,5,0.441,0.78,1.0,0.10818312658488109,0.2239736824069632,0.45506647933657735,0.40796552669453773,0.2987972037557398
EOS-5-03266,COc1cc(-c2nnc3cncc(CNCCc4ccc(Cl)s4)n23)ccc1-c1cncs1,AZSPRTNOXBOYOX-UHFFFAOYSA-N,5,1,0.36,14,41,483.022,4.971,5,0.315,0.74,1.0,0.27769686793228704,0.177506682201357,0.40415324515112055,0.38595709684051815,0.3113284730313207
EOS-5-03267,COc1cc(-c2nnc3cncc(CNC4CCC(CO)CC4)n23)ccc1-c1cscn1,WVTQVIDKIAGMFD-UHFFFAOYSA-N,5,1,0.362,5,741,450.568,3.564,5,0.444,0.8,1.0,0.207525186758961,0.011488246179151531,0.0539716263450072,0.17741244602837367,0.11259937632787334
EOS-5-03268,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCC(C(N)=O)CC5)n34)cc2F)n1,CPFUWVZWGOJMCJ-UHFFFAOYSA-N,5,1,0.333,78,830,461.505,2.225,5,0.446,0.76,1.0,0.15191727777397027,0.11421424165581523,0.008164279350284421,0.048223219793023096,0.08062975464327325
EOS-5-03269,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(CNCc3nccnc3-c3cccnc3)n12,OODZZZDMICDUAC-UHFFFAOYSA-N,5,1,0.33,60,869,479.483,2.857,6,0.354,0.61,1.0,0.2047580700431773,0.2186279213213625,0.26332156808991847,0.2878401069152217,0.24363691659241998
EOS-5-03270,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)nc4)n23)cc1F,BSNKFYWWDCSPFL-UHFFFAOYSA-N,5,1,0.521,62,504,485.454,3.743,5,0.392,0.87,1.0,0.2887824686450552,0.2853728325680214,0.6267390857377836,0.5220512644781029,0.43073641285724074
EOS-5-03271,COc1cc(-c2nnc3cncc(CCCC4COCO4)n23)ccc1-c1cccnn1,BEDYSMBCQVMEMV-UHFFFAOYSA-N,5,1,0.38,5,743,418.457,2.953,5,0.452,0.62,1.0,0.28053252004660406,0.11135288876704819,0.15703173188952094,0.18308375025700774,0.18300022274004524
EOS-5-03273,Cc1ccnc(-c2ccc(-c3nnc4cncc(CN5CCCC5CO)n34)cc2F)n1,GWOHNFLNBDXJPR-UHFFFAOYSA-N,5,1,0.36,78,75,419.464,2.653,5,0.532,0.68,1.0,0.21291378246864506,0.23932561167843192,0.05014221095195669,0.20553766020149408,0.17697981632513193
EOS-5-03274,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)n23)cc1F,FCWRXGZDOWAGNR-UHFFFAOYSA-N,5,1,0.455,0,21,464.432,2.308,5,0.496,0.93,1.0,0.17934000411212392,0.07197930230964293,0.08040058940442739,0.1940065793982592,0.13143161880611337
EOS-5-03276,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cc(F)c(F)cn4)n23)nc1,MFVBMFGKYCXTGJ-UHFFFAOYSA-N,5,1,0.43,90,457,411.372,1.841,4,0.516,0.7,1.0,0.4283291069837571,0.15347645809060378,0.3593739291343979,0.26747652662600235,0.3021640052086903
EOS-5-03277,COc1cc(-c2nnc3cncc(CNCCc4ccc(Cl)nn4)n23)ccc1-c1cnsc1,VFUVDNVRDYAKNN-UHFFFAOYSA-N,5,1,0.351,14,41,478.969,3.699,5,0.337,0.53,1.0,0.2267664998971969,0.1418682749640189,0.24557089986978275,0.2462476869302995,0.2151133404153245
EOS-5-03278,COc1cc(-c2nnc3cncc(OC4CCN(Cc5ccccc5)CC4)n23)ccc1-c1cnco1,UKDLKZFTVIUSPQ-UHFFFAOYSA-N,5,1,0.432,1,955,482.544,4.498,6,0.335,0.8,1.0,0.33269652525529436,0.052797957645123704,0.12685902268521693,0.23772359673771504,0.1875192755808375
EOS-5-03279,Fc1cc(CCOc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)ccn1,WUSXREBLUYRYLE-UHFFFAOYSA-N,5,1,0.57,75,359,404.365,2.392,5,0.393,0.66,1.0,0.7141988211911452,0.5013364402714002,0.28939928723185526,0.2702265094921527,0.44379026454663834
EOS-5-03280,COCCc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2Cl)n(C)n1,YPJKWMQTLONEMO-UHFFFAOYSA-N,5,1,0.34,78,830,452.95,3.071,5,0.439,0.75,0.984,0.1461089027482695,0.1082088273593311,0.007376122267150983,0.049645329312589956,0.0778347954218354
EOS-5-03281,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4F)n23)s1,XZGTUJIXIHOKRP-UHFFFAOYSA-N,5,1,0.517,45,533,484.343,6.218,5,0.329,0.86,1.0,0.20183674868069357,0.46959598382564594,0.8639143992872319,0.9141765471866219,0.6123809197450483
EOS-5-03282,CCC1CCC(NCc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)CC1,VTNFSQNOKLZVOO-UHFFFAOYSA-N,5,1,0.314,78,830,437.548,4.507,5,0.478,0.81,1.0,0.14922726338153655,0.12426324446576657,0.030001370707970668,0.2083733123158111,0.1279662977177712
EOS-5-03283,COc1cc(-c2nnc3cncc(CNCC4CC4c4ccccn4)n23)ccc1-c1cnsn1,UHCQDKJODDNPPM-UHFFFAOYSA-N,5,1,0.319,60,257,470.562,3.607,6,0.367,0.53,1.0,0.20476663696799396,0.056610239188540884,0.3403981906654787,0.29700671646905624,0.22469544582276746
EOS-5-03284,NC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(-c5cccnn5)n4)n23)cc1F,UTHAYNAXKWWDIO-UHFFFAOYSA-N,5,1,0.368,14,740,441.43,2.493,5,0.41,0.76,0.999,0.1434959906791858,0.12051949832088274,0.25619388664245085,0.1912394626824755,0.17786220958124874
EOS-5-03285,O=C(NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3Cl)n12)C1CCC1,YBOWBGITUIIGJK-UHFFFAOYSA-N,5,1,0.427,78,753,425.905,3.38,5,0.526,0.86,1.0,0.16568432595435542,0.18165307381262422,0.01040024672743472,0.08354465081214447,0.1103205743266397
EOS-5-03286,COc1cc(-c2nnc3cncc(CNC4CCc5ccccc54)n23)ccc1-c1ccsn1,DUJBIKRTZCXXIE-UHFFFAOYSA-N,5,1,0.382,14,257,454.559,4.701,6,0.401,0.59,1.0,0.1823983962716743,0.0352614625454047,0.5645689123432253,0.5055856349804674,0.3219536015351929
EOS-5-03287,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cc1,JPKCCJKYDCNMBM-UHFFFAOYSA-N,5,1,0.378,0,21,444.47,3.193,5,0.522,0.91,1.0,0.14061750394078543,0.12052806524569941,0.022531012267836336,0.07068569666232609,0.08859056952916182
EOS-5-03288,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(N)=O)cc4)n23)cc1-c1ccsc1,RJIVZFVICWHWPN-UHFFFAOYSA-N,5,1,0.387,62,3,422.473,4.157,5,0.468,0.81,1.0,0.22106092796929613,0.12053663217051608,0.7762062230141868,0.7310499623055308,0.46221343636488244
EOS-5-03289,Fc1cc(-c2nc[nH]n2)ccc1-c1nnc2cncc(CNCc3ccnc(-n4cncn4)c3)n12,IICQODUNHAOKEE-UHFFFAOYSA-N,5,1,0.306,60,644,468.46,1.981,6,0.36,0.65,0.989,0.13554588444931806,0.19026283325337537,0.23857172229456514,0.22006716469056267,0.1961119011719553
EOS-5-03290,Fc1ccc(NCc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1F,ZBVKTGDPFPOZSL-UHFFFAOYSA-N,5,1,0.418,23,678,405.33,4.7,4,0.5,0.86,1.0,0.5356983757110547,0.6619577136591049,0.9979953395928998,0.9964961277499829,0.7980368891782605
EOS-5-03291,CC(F)C(=O)NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3Cl)n12,YSKSJYKXQRGLMN-UHFFFAOYSA-N,5,1,0.452,78,753,417.857,2.937,4,0.536,0.61,1.0,0.22393084778287986,0.26454663833870196,0.2562024535672675,0.2791960797752039,0.25596900486601326
EOS-5-03292,COc1cc(-c2nnc3cncc(CNC(=O)C(C)F)n23)ccc1-c1nccs1,DXBKWENQVGAEQA-UHFFFAOYSA-N,5,1,0.429,5,966,412.45,2.898,4,0.523,0.63,1.0,0.34698615584949627,0.27496401891577,0.22765746007813034,0.10945103145774793,0.23976466657528614
EOS-5-03293,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)c(OC)c3)n12,ARCJTLUDCRGMCO-UHFFFAOYSA-N,5,1,0.364,5,75,437.529,2.69,5,0.427,0.49,1.0,0.18811253512439174,0.03823418545678843,0.18280960866287438,0.17473099856075663,0.14597183195120278
EOS-5-03294,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1cccnc1,BAZRTVSJWCSKBX-UHFFFAOYSA-N,5,1,0.368,5,741,458.566,3.893,5,0.413,0.71,1.0,0.20753375368377766,0.01063155369748475,0.08282502912754437,0.25828421629771775,0.13981863820163115
EOS-5-03295,Fc1cncc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)nc2CC2CC2)c1,WHIGPWKSDCMMNN-UHFFFAOYSA-N,5,1,0.292,78,878,429.503,3.982,6,0.479,0.74,0.087,0.1682458364745391,0.12427181139058324,0.02060345418408608,0.22279144678226304,0.1339781372078679
EOS-5-03296,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCCC(F)F)n34)cc2F)n1,CTKISSYCOQAKST-UHFFFAOYSA-N,5,1,0.34,78,75,414.395,2.836,4,0.465,0.62,1.0,0.26992666712356933,0.335078130354328,0.4405198409978754,0.4555633609759441,0.37527199986292925
EOS-5-03297,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5)cc4)n23)c(F)c1F,PSTOFDVQIXXBRF-UHFFFAOYSA-N,5,1,0.39,62,504,484.466,4.348,5,0.386,0.86,1.0,0.2592779795764512,0.28538139949283803,0.7554314303337674,0.6350233020355014,0.4837785278596395
EOS-5-03298,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1F)N1CCCC1,FXOFHIJLKKKVCQ-UHFFFAOYSA-N,5,1,0.34,0,825,422.851,3.882,5,0.5,0.85,1.0,0.1628658076896717,0.2543605647316839,0.027791104105270373,0.25829278322253446,0.17582756493729013
EOS-5-03299,CCOc1ncccc1CNCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,WWLJUITTXYVKLK-UHFFFAOYSA-N,5,1,0.333,60,257,473.562,4.007,5,0.343,0.79,1.0,0.19350969775889246,0.09832259612089644,0.2067027619765609,0.09091220615447879,0.14736181550270716
EOS-5-03300,CC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)nc4)n23)CC1,NAKCBDNBLMXPMX-UHFFFAOYSA-N,5,1,0.39,78,753,420.864,2.713,5,0.528,0.72,1.0,0.20754232060859434,0.17329175519155643,0.006990610650400932,0.03680350901240491,0.10615704886573915
EOS-5-03301,COc1cc(-c2nnc3cncc(CNC4CCC(F)(C(=O)F)CC4)n23)ccc1-c1ccsn1,HKHMERUPDTYAPL-UHFFFAOYSA-N,5,1,0.368,5,741,484.532,4.16,5,0.394,0.68,1.0,0.3021297375094236,0.16871701733945582,0.16354259475018848,0.347560139812213,0.24548737235282023
EOS-5-03303,CCCN1CCN(Cc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4F)n23)CC1,QCNPCJNLCIRCFI-UHFFFAOYSA-N,5,1,0.354,78,123,451.575,3.89,5,0.443,0.84,1.0,0.12707319580563362,0.1418768418888356,0.0017305188129668975,0.01645706257281886,0.07178440477006374
EOS-5-03304,N#Cc1cc(-c2nnc3cncc(-c4ccc(-c5ccnnc5)cn4)n23)ccc1Cl,XWTNBTXRWXHJFH-UHFFFAOYSA-N,5,1,0.35,96,216,410.828,3.835,5,0.445,0.81,1.0,0.30999417449112465,0.5239188540881365,0.8454098416832294,0.8702539236515661,0.6373941984785141
EOS-5-03305,COc1cc(-c2nnc3cncc(CNC4CCC(CO)CC4)n23)ccc1-c1cncs1,CRSWWKHQECJYFV-UHFFFAOYSA-N,5,1,0.37,5,741,450.568,3.564,5,0.444,0.8,1.0,0.19093105338907546,0.01520629154958536,0.059531560551024605,0.1885580152148585,0.11355673017613598
EOS-5-03306,Cc1nc(-c2ccc(-c3nnc4cncc(CCC5OCCO5)n34)c(F)c2)cs1,YEPKCEMZNOWXNS-UHFFFAOYSA-N,5,1,0.396,78,753,411.462,3.668,5,0.499,0.8,1.0,0.332705092180111,0.39257932972380233,0.3259029538756768,0.4016859708039202,0.3632183366458776
EOS-5-03307,COc1cc(-c2nnc3cncc(CNC4CCC(O)CC4)n23)ccc1-c1cscn1,QTFNPRLILZVSCX-UHFFFAOYSA-N,5,1,0.366,5,741,436.541,3.317,5,0.478,0.82,1.0,0.21292234939346172,0.00969775889246796,0.08040915632924406,0.18039373586457405,0.12085575011993696
EOS-5-03308,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)n23)cc1,HXXAEKWROPBYRH-UHFFFAOYSA-N,5,1,0.388,0,901,433.462,4.638,5,0.472,0.87,1.0,0.15747721197998765,0.11136145569186484,0.2492289767664999,0.4863357549174148,0.2511008498389418
EOS-5-03309,COc1cc(-c2nnc3cncc(CNCC4CC4c4ncccn4)n23)ccc1-c1cscn1,JAZWUTXNBFOAKY-UHFFFAOYSA-N,5,1,0.327,60,257,470.562,3.607,6,0.367,0.49,1.0,0.19093962031389214,0.0719878692344596,0.22059831402919608,0.19401514632307587,0.16938523747515594
EOS-5-03310,O=C(Nc1ccc(F)cc1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1,CUUOUHXDXWBKNE-UHFFFAOYSA-N,5,1,0.411,83,504,444.857,4.898,5,0.426,0.88,1.0,0.08616612980604482,0.28538996641765474,0.8195634295113426,0.8311202110890274,0.5055599342060174
EOS-5-03311,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1cccs1,OOGTTYZAEMEZKX-UHFFFAOYSA-N,5,1,0.354,5,741,463.607,4.559,5,0.399,0.78,1.0,0.19640531834692618,0.019849564800219315,0.06542560482489206,0.23180385168939757,0.12837108491535879
EOS-5-03313,COc1cc(-c2nnc3cncc(CNC4CCC(CC#N)CC4)n23)ccc1-c1cscn1,JRUNVNOCJNEPQH-UHFFFAOYSA-N,5,1,0.34,5,741,459.579,4.485,5,0.435,0.76,1.0,0.19351826468370914,0.016628401069152216,0.08283359605236104,0.23466520457816462,0.13191136659584676
EOS-5-03314,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(CNCC3CC3(F)F)n12,UJCCIHZIHGLURP-UHFFFAOYSA-N,5,1,0.34,78,75,416.432,3.799,5,0.518,0.62,1.0,0.22677506682201357,0.3211397436776095,0.8487509423617299,0.8745288191350833,0.5677986429991091
EOS-5-03315,COc1cc(-c2nnc3cncc(CNCC4(c5ncccn5)CC4)n23)ccc1-c1cnsc1,RFAWTLDONZKLRE-UHFFFAOYSA-N,5,1,0.337,60,41,470.562,3.535,6,0.367,0.6,1.0,0.1909481872387088,0.06815845384140909,0.018795833047769172,0.06542560482489206,0.08583201973819478
EOS-5-03316,COCCc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(F)c2)n(C)n1,NOSNMUHEBQFJLW-UHFFFAOYSA-N,5,1,0.316,78,830,436.495,2.557,5,0.454,0.87,0.973,0.15192584469878692,0.10475635665821396,0.00770166541018436,0.03583544650812145,0.07505482831882666
EOS-5-03317,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)cn1,YYSUYWYXQUTWNA-UHFFFAOYSA-N,5,1,0.36,68,364,406.318,3.701,4,0.382,0.6,1.0,0.48511068466863133,0.5903553560413953,0.9531217874031938,0.9153245151120554,0.735978085806319
EOS-5-03318,COc1cc(-c2nnc3cncc(CN(CC4CC4)C4CC4)n23)ccc1-c1cscn1,RSNBCHXMXGSJAY-UHFFFAOYSA-N,5,1,0.4,5,743,432.553,4.298,6,0.414,0.73,1.0,0.182406963196491,0.056618806113357546,0.017973408265369063,0.14596326502638612,0.10074061065040094
EOS-5-03319,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCC5CCCO5)n34)cc2F)n1,KKQLMYHDKATLFG-UHFFFAOYSA-N,5,1,0.34,78,75,420.452,2.359,5,0.507,0.65,1.0,0.2129309163182784,0.1687255842642725,0.04495065451305599,0.1256425193612501,0.13806241861421426
EOS-5-03321,CCn1c(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)nc(C)c1C,JDJVKCVGZUOYDM-UHFFFAOYSA-N,5,1,0.326,78,830,419.508,4.073,5,0.51,0.83,1.0,0.22106949489411282,0.17751524912617367,0.022539579192653005,0.07849873209512713,0.12490576382701665
EOS-5-03322,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4nncs4)c(OC)c3)n12,HVKXSMWZLHCJSC-UHFFFAOYSA-N,5,1,0.353,5,75,437.529,2.69,5,0.427,0.65,0.998,0.18241553012130765,0.03527002947022137,0.1926787060516757,0.18568809540127476,0.14901309026111986
EOS-5-03323,Fc1cncnc1COc1cncc2nnc(-c3ccnc(-c4ccsn4)c3)n12,FLTWUGRTGADAQW-UHFFFAOYSA-N,5,1,0.512,24,199,406.406,2.818,5,0.439,0.66,1.0,0.5201836748680694,0.4917414844767322,0.260006168185868,0.267485093550819,0.38485410527037217
EOS-5-03324,COCCn1ccnc1-c1ccc(-c2nnc3cncc(CNC4CCC4)n23)cc1F,WYOIKKMHYRDADZ-UHFFFAOYSA-N,5,1,0.318,78,830,421.48,3.082,5,0.471,0.83,1.0,0.22107806181892947,0.12054519909533273,0.05398019326982387,0.16150366664382154,0.1392767802069769
EOS-5-03325,CCNC(=O)c1ccc(-c2nnc3cncc(OCCc4ccnc(F)c4)n23)cc1,HHBYNZZWKKYDKH-UHFFFAOYSA-N,5,1,0.635,48,378,406.421,2.697,4,0.474,0.83,1.0,0.6073521348776643,0.3160852580357755,0.3968713590569529,0.26136830923171817,0.39541926530052773
EOS-5-03326,COc1cc(-c2nnc3cncc(CNC4CCc5ncccc54)n23)ccc1-c1cscn1,NXPRSPFUJLXVPK-UHFFFAOYSA-N,5,1,0.34,14,257,455.547,4.096,6,0.412,0.61,1.0,0.16825440339935577,0.041883695428688916,0.31868960318004247,0.2851158248235213,0.2034858817079021
EOS-5-03327,COc1cc(-c2nnc3cncc(CNC4CCC(C#N)C4)n23)ccc1-c1cnsn1,JNVRHSMOZUAIMB-UHFFFAOYSA-N,5,1,0.333,5,741,432.513,3.1,5,0.494,0.59,1.0,0.21293948324309506,0.01384415050373518,0.15100918374340347,0.2405506819272154,0.1545858748543623
EOS-5-03328,Cc1nc(-c2ccc(-c3nnc4cncc(COCC5CC5)n34)c(Cl)c2)cs1,NHNPAVPXUREPEG-UHFFFAOYSA-N,5,1,0.406,78,753,411.918,4.803,5,0.455,0.83,1.0,0.32235624700157633,0.3691744911246659,0.22060688095401274,0.47423069015146324,0.3465920773079295
EOS-5-03329,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5nncc(C)n5)cc4F)n23)CC1,RRKSKMSTRLZALP-UHFFFAOYSA-N,5,1,0.327,78,741,476.56,3.776,5,0.41,0.81,1.0,0.18812110204920843,0.14555205263518609,0.024424302652319922,0.1410201494071688,0.12477940168597082
EOS-5-03330,Clc1ccc(-c2nnc3cncc(OCc4cccc(-n5ncnn5)n4)n23)cc1,OVQCCWDLGPIAOV-UHFFFAOYSA-N,5,1,0.553,36,32,405.809,2.394,5,0.438,0.66,1.0,0.4778287985744637,0.6912908642313755,0.21688026865876225,0.30323487081077377,0.42230870056884384
EOS-5-03331,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cc1F,HUBFIOWOFZRUKI-UHFFFAOYSA-N,5,1,0.378,0,21,419.435,4.281,5,0.497,0.88,1.0,0.207550887533411,0.2135648687547118,0.12162463162223289,0.40169453772873687,0.23610873140977315
EOS-5-03332,Cc1cc(C#N)ccc1-c1nnc2cncc(-c3ccc(C(=O)NC4CC4)c(F)c3)n12,YVUUBHBOQLPPNJ-UHFFFAOYSA-N,5,1,0.369,0,188,412.428,3.67,5,0.552,0.84,1.0,0.3152285655541087,0.3399955451990953,0.6092968268110479,0.6814474676170242,0.48649210129531906
EOS-5-03333,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1)N1CCC(F)CC1,IBRBYHYRJSXBEF-UHFFFAOYSA-N,5,1,0.352,0,825,436.878,4.081,5,0.483,0.89,1.0,0.12141045850181618,0.16482763347268864,0.059540127475841274,0.3219364676855596,0.1669286717839764
EOS-5-03334,CCCCCC(=O)NCc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12,BHOGOLIOEHIOJD-UHFFFAOYSA-N,5,1,0.429,78,753,425.493,3.645,4,0.433,0.82,1.0,0.1736772668083065,0.13827016654101842,0.013115961894318415,0.021682886710986223,0.0866865704886574
EOS-5-03335,COc1cc(-c2nnc3cncc(CN(CC4COC4)C4CCC4)n23)ccc1-c1cnsc1,QARUFISFPPXXCR-UHFFFAOYSA-N,5,1,0.392,5,741,462.579,3.924,6,0.393,0.57,1.0,0.15748577890480434,0.08246521828524433,0.02779967103008704,0.1560037009115208,0.10593859228291413
EOS-5-03338,COc1cc(-c2nnc3cncc(CNCC4CC4COC(F)(F)F)n23)ccc1-c1cscn1,GAVCQVISAUYZMI-UHFFFAOYSA-N,5,1,0.379,5,743,490.511,4.186,5,0.377,0.57,1.0,0.4032965526694538,0.37387773284901654,0.8921338496333356,0.8171903913371257,0.6216246316222329
EOS-5-03339,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCC4)n23)ccc1-c1cscn1,CXFHPWGVYWCBEF-UHFFFAOYSA-N,5,1,0.398,5,966,434.525,3.73,5,0.497,0.88,1.0,0.19641388527174286,0.01985813172503598,0.007710232335001028,0.024064491810019874,0.06201168528544994
EOS-5-03340,COc1cc(-c2nnc3cncc(CCC4CC4)n23)ccc1-c1ncc(Cl)cn1,NJVLUOAGJDUAEQ-UHFFFAOYSA-N,5,1,0.452,5,75,406.877,4.253,5,0.476,0.83,1.0,0.5125762456308683,0.42988828730039064,0.09703755739839627,0.28208313343842095,0.3303963059420191
EOS-5-03341,Fc1cccnc1COc1cncc2nnc(-c3cncc(-c4nccs4)c3)n12,INHRWKWKRAGNHL-UHFFFAOYSA-N,5,1,0.506,2,422,405.418,3.423,5,0.442,0.7,1.0,0.5646374477417586,0.5376602014940717,0.38211911452265096,0.38294153930505104,0.4668395757658831
EOS-5-03342,Clc1ccc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)cc1,SFIZFTDLHKBEBC-UHFFFAOYSA-N,5,1,0.379,14,416,417.864,2.71,5,0.453,0.87,1.0,0.21032657117401138,0.27497258584058665,0.35193783839353027,0.4045216229182373,0.3104396545815914
EOS-5-03343,FCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5ncsn5)c(F)c4)n23)CC1,VNGBXTWTJNYENA-UHFFFAOYSA-N,5,1,0.337,78,123,456.526,2.972,5,0.458,0.72,1.0,0.13008875334110068,0.12775854979096704,0.007384689191967652,0.08709135768624494,0.08808083750257008
EOS-5-03344,CNC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5cncs5)c(OC)c4)n23)C1,XHTMQXRIKFCFGH-UHFFFAOYSA-N,5,1,0.343,5,741,463.567,2.928,5,0.434,0.59,1.0,0.19642245219655952,0.016636967993968885,0.048308889041189775,0.06893804399972586,0.082576588307861
EOS-5-03345,COc1cc(-c2nnc3cncc(CNCC4CC4Cn4cccn4)n23)ccc1-c1ncsn1,WTIFJMGFRHDNQM-UHFFFAOYSA-N,5,1,0.324,5,172,473.566,2.941,6,0.348,0.46,1.0,0.20184531560551025,0.06816702076622576,0.11574772119799877,0.12770714824206703,0.12836680145295043
EOS-5-03346,Cc1cc(-c2ccc(-c3nnc4cncc(CNC(=O)C(F)(F)F)n34)cn2)ncn1,HKBGGADVIWRKCP-UHFFFAOYSA-N,5,1,0.376,68,585,414.351,2.13,4,0.545,0.85,1.0,0.28879103556987185,0.2543691316565006,0.5935593859228291,0.4079740936193544,0.3861734116921389
EOS-5-03347,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)CC5)c(F)c4)n23)cn1,PSSGAJONZNRDCX-UHFFFAOYSA-N,5,1,0.366,0,21,434.45,3.875,5,0.489,0.92,0.999,0.12141902542663285,0.16873415118908916,0.08539510657254472,0.2909927352477555,0.16663525460900558
EOS-5-03348,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)nc4)n23)c(F)c1,IVTKASJYBHPUML-UHFFFAOYSA-N,5,1,0.5,62,504,485.454,3.743,5,0.392,0.87,1.0,0.2645894729627853,0.31092796929614147,0.6267476526626002,0.5122592694126517,0.4286310910835447
EOS-5-03349,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)CC1,CCJCHGQBEOMZDT-UHFFFAOYSA-N,5,1,0.321,78,830,467.574,4.134,5,0.417,0.77,1.0,0.1519344116236036,0.10821739428414776,0.028810568158453842,0.19402371324789253,0.12074652182852443
EOS-5-03350,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1)N1CCCCCC1,YJDJHOGAUIPZLA-UHFFFAOYSA-N,5,1,0.363,0,825,432.915,4.523,5,0.475,0.88,1.0,0.1242803783153999,0.1733003221163731,0.003006990610650401,0.06082516619834144,0.09035321431019121
EOS-5-03351,COc1cc(-c2nnc3cncc(CNC(=O)C(F)(F)c4ccccc4)n23)ccc1-c1cscn1,RMKVBJPPYDBMAJ-UHFFFAOYSA-N,5,1,0.433,62,257,492.511,4.332,5,0.363,0.84,1.0,0.46043794119662806,0.4564114865327942,0.8487595092865465,0.7097525872112946,0.6188403810568158
EOS-5-03352,Fc1cnccc1CCOc1cncc2nnc(-c3ccnc(-c4ncon4)c3)n12,SIBDRMUUPMWWPO-UHFFFAOYSA-N,5,1,0.585,75,359,404.365,2.392,5,0.42,0.69,1.0,0.6990267973408265,0.4739222808580632,0.2966297717771229,0.28784867384003837,0.4393568809540127
EOS-5-03353,Cc1nccc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)c1Cl,SSSWGCFUAPBRND-UHFFFAOYSA-N,5,1,0.588,90,281,401.257,3.818,4,0.473,0.64,1.0,0.7993369200191899,0.9148961688712219,0.647899390034953,0.712476869302995,0.76865233705709
EOS-5-03354,Cc1ccc(-c2nnc3cncc(CNCc4cccc(-n5ccnc5)n4)n23)cc1Cl,CXRCWGWYRRWXBZ-UHFFFAOYSA-N,5,1,0.327,60,416,430.903,3.624,5,0.442,0.73,1.0,0.12708176273045027,0.18600507161949148,0.465338222191762,0.4712751010897128,0.31242503940785415
EOS-5-03355,Cc1cnc(-c2cc(-c3nnc4cncc(OCc5ccnc(C)n5)n34)ccn2)nc1,JMURLQGPHMYFTH-UHFFFAOYSA-N,5,1,0.467,7,420,411.429,2.629,5,0.43,0.58,1.0,0.37908642313755053,0.22398224933177988,0.09966760331711329,0.05781817558769104,0.1901386128435337
EOS-5-03356,Nc1cncc(CNCc2cncc3nnc(-c4ccc(OCc5nccs5)cc4)n23)c1,LOKLNWSFNXUEJZ-UHFFFAOYSA-N,5,1,0.438,14,257,444.524,3.094,5,0.375,0.74,1.0,0.15194297854842026,0.06817558769104243,0.2455794667945994,0.16382530326913852,0.15738083407580017
EOS-5-03357,COc1cc(-c2nnc3cncc(CNC(=O)C4CNC4)n23)ccc1-c1nncs1,VHVNIKORDIWTNE-UHFFFAOYSA-N,5,1,0.381,5,966,422.474,1.154,5,0.475,0.7,1.0,0.23784353368514838,0.056627373038174215,0.013124528819135083,0.008978137207867864,0.07914339318758139
EOS-5-03358,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)nn4)n23)c(F)c1,RQHUFYHBAINLIX-UHFFFAOYSA-N,5,1,0.516,62,504,486.442,3.138,5,0.391,0.83,1.0,0.2805410869714207,0.33020355013364405,0.44052840792269204,0.37016825440339934,0.355360324857789
EOS-5-03359,Cc1nc(CC(=O)NCc2cncc3nnc(-c4ccc(-c5csnn5)nc4F)n23)ccc1F,VOUMAWCESSHBEI-UHFFFAOYSA-N,5,1,0.367,85,60,479.476,2.545,5,0.369,0.6,1.0,0.18242409704612433,0.22399081625659653,0.1186690425604825,0.11659584675484888,0.16041995065451306
EOS-5-03360,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cc(C)c(Cl)cn1,PKHUEIZGBOEJGD-UHFFFAOYSA-N,5,1,0.298,78,878,433.947,4.415,5,0.485,0.78,0.925,0.14350455760400246,0.1142228085806319,0.050150777876773356,0.17742101295319032,0.1213247892536495
EOS-5-03361,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)cc4)n23)cc1F,BLYVDNOQLZFSPY-UHFFFAOYSA-N,5,1,0.394,0,21,458.497,3.713,5,0.502,0.92,1.0,0.13009732026591736,0.1172040984168323,0.005962579672400795,0.04558460694948941,0.07471215132615996
EOS-5-03362,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)n23)cn1,DLOAELBNUHUKRM-UHFFFAOYSA-N,5,1,0.353,0,21,445.433,3.596,5,0.478,0.89,1.0,0.11897745185388253,0.1345521211705846,0.21023233500102803,0.4396117469673086,0.22584341374820094
EOS-5-03363,CCC1CCCC1NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,MXTJFLQFZUYVBU-UHFFFAOYSA-N,5,1,0.354,5,741,434.569,4.592,5,0.458,0.63,1.0,0.2018538825303269,0.010640120622301418,0.11575628812281544,0.19945514358165992,0.1319263587142759
EOS-5-03364,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cn4)n23)c(F)c1,OTOULASQJZNFKB-UHFFFAOYSA-N,5,1,0.49,62,504,485.454,3.743,5,0.392,0.86,1.0,0.24870639435268316,0.3498646425878966,0.6452008087177027,0.5325628812281543,0.44408368172160917
EOS-5-03365,c1ncc(-c2ccc(-c3nnc4cncc(CNCc5cc(-c6cncnc6)ncn5)n34)cc2)cn1,RMSJAARAWCESBC-UHFFFAOYSA-N,5,1,0.33,94,809,473.504,2.785,6,0.369,0.67,1.0,0.182432663970941,0.09833116304571311,0.30021074635049005,0.2643410321431019,0.2113289013775615
EOS-5-03366,NC(=O)c1ccc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)cc1F,MXYSHLOMAQTECZ-UHFFFAOYSA-N,5,1,0.349,60,416,444.434,1.295,5,0.382,0.74,1.0,0.13010588719073402,0.11423137550544857,0.14782228771160305,0.11188403810568158,0.1260108971283668
EOS-5-03367,O=C(Cc1ccccn1)NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,ANDVRMRVCCWGRZ-UHFFFAOYSA-N,5,1,0.364,85,60,447.459,2.098,5,0.393,0.69,1.0,0.10581865533548078,0.16874271811390584,0.0520012336371736,0.05343191008155712,0.09499862929202935
EOS-5-03368,CCn1cnnc1-c1cc(NCc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)c(Cl)cn1,USXRWACEOVQWCQ-UHFFFAOYSA-N,5,1,0.326,85,243,482.886,4.063,5,0.369,0.61,0.215,0.21294805016791174,0.2907956959769721,0.4292115002398739,0.40798266054417104,0.33523447673223217
EOS-5-03369,COc1cc(-c2nnc3cncc(CNCc4ccc5ncccc5n4)n23)ccc1-c1nccs1,ZCMWSJFEHYODOT-UHFFFAOYSA-N,5,1,0.313,60,217,480.557,4.156,6,0.363,0.78,1.0,0.2405592488520321,0.11721266534164897,0.25301555753546706,0.1994637105064766,0.2025627955589062
EOS-5-03370,COc1cc(-c2nnc3cncc(CNCC4COC4)n23)ccc1-c1ncc(C)s1,RWVGLRRCAKKNRG-UHFFFAOYSA-N,5,1,0.364,5,743,422.514,2.968,5,0.49,0.83,1.0,0.22678363374683025,0.07199643615927627,0.08284216297717771,0.07660544171064355,0.11455691864848194
EOS-5-03371,COc1cc(-c2nnc3cncc(CNCC(C)(C)Cn4cncn4)n23)ccc1-c1nccs1,BPRQDOOSBKLXDH-UHFFFAOYSA-N,5,1,0.317,5,743,475.582,3.331,5,0.346,0.79,1.0,0.19920670276197655,0.0919488040572956,0.07186793228702625,0.025049688163936674,0.09701828181755877
EOS-5-03372,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5CCC5)n34)cc2F)n(C)n1,GPZWRODJHQHSFK-UHFFFAOYSA-N,5,1,0.434,78,753,420.452,2.451,5,0.532,0.86,1.0,0.20755945445822768,0.15718593653622095,0.005337194160784045,0.017690699746419025,0.09694332122541292
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EOS-5-03374,Clc1ccc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)cc1,UKDPIKBZHRQUTA-UHFFFAOYSA-N,5,1,0.375,60,416,417.864,2.71,5,0.453,0.81,1.0,0.21563806456034543,0.23933417860324857,0.25621102049208416,0.3316256596532109,0.2607022308272222
EOS-5-03375,COc1cc(-c2nnc3cncc(CNCC4=CCC(F)(OC)CC4)n23)ccc1-c1cncs1,WZYNUDGVQAIUDL-UHFFFAOYSA-N,5,1,0.351,5,741,480.569,4.436,5,0.373,0.47,0.999,0.21847371667466248,0.16101535192927147,0.38948666986498526,0.3767305188129669,0.28642656432047153
EOS-5-03376,COc1cc(-c2nnc3cncc(CN(C)CCC(C)(C)C)n23)ccc1-c1cscn1,SQYFUEBEEIQMNL-UHFFFAOYSA-N,5,1,0.409,5,743,436.585,4.791,4,0.415,0.74,1.0,0.1656928928791721,0.04906277842505654,0.13900692207525187,0.05344047700637379,0.10180076759646357
EOS-5-03377,CC(CNCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)c1ccccc1,YKICZIRJHSDPRF-UHFFFAOYSA-N,5,1,0.34,14,416,446.515,3.737,5,0.381,0.55,0.999,0.10582722226029745,0.16483620039750532,0.39315331368651907,0.38295010622986775,0.2616917106435474
EOS-5-03378,CC(C)(O)C(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,JLALERAONASAKJ-UHFFFAOYSA-N,5,1,0.384,78,634,413.438,1.836,4,0.479,0.65,0.999,0.2996110616133233,0.27498115276540336,0.1157648550476321,0.048231786717839766,0.18464721403604964
EOS-5-03379,NC(=O)c1ccc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)cc1F,XKQUEMAKDGEBGW-UHFFFAOYSA-N,5,1,0.365,60,416,444.434,1.295,5,0.382,0.72,1.0,0.11355458844493181,0.14556061956000274,0.11867760948529915,0.09670344733054623,0.11862406620519497
EOS-5-03380,COc1cc(-c2nnc3cncc(CN(c4cccnn4)C4CCC4)n23)ccc1-c1nccs1,PHQSKZJSWUOJBJ-UHFFFAOYSA-N,5,1,0.358,52,257,470.562,4.273,6,0.348,0.76,1.0,0.1852254814611747,0.056635939962990885,0.017981975190185732,0.04292886025632239,0.07569306421766842
EOS-5-03381,c1cc(-c2ccc(-c3nnc4cncc(CNCc5cc(-c6ccnnc6)ncn5)n34)cc2)cnn1,KYXIZYZPIARHSY-UHFFFAOYSA-N,5,1,0.337,60,84,473.504,2.785,6,0.369,0.63,1.0,0.18523404838599136,0.08589198821191145,0.31109074086765814,0.27920464670002054,0.21535535604139536
EOS-5-03382,COc1cc(-c2nnc3cncc(CNCc4cncn4CCC#N)n23)ccc1-c1nccs1,KKSLRJPMASTFHD-UHFFFAOYSA-N,5,1,0.304,5,743,471.55,3.323,5,0.348,0.69,1.0,0.19095675416352545,0.04907134534987321,0.15101775066822012,0.10084983894181344,0.12297392228085804
EOS-5-03383,COc1cc(-c2nnc3cncc(CNCc4cnc5ccccc5n4)n23)ccc1-c1cncs1,AFSQVDGAWWGTQV-UHFFFAOYSA-N,5,1,0.34,60,149,480.557,4.156,6,0.363,0.75,1.0,0.23785210060996503,0.11423994243026524,0.2857926118840381,0.24356623946268247,0.2203627235967377
EOS-5-03384,COc1cncc(C#Cc2nc(-c3cncn3C)ccc2-c2nnc3cncc(Br)n23)c1,FUIGQPZEMDBOTQ-UHFFFAOYSA-N,5,1,0.446,85,974,487.321,3.153,5,0.361,0.71,1.0,0.29961962853813995,0.3302121170584607,0.4690819683366459,0.3443475430059626,0.3608153142348023
EOS-5-03385,Fc1ncccc1COc1cncc2nnc(-c3ccnc(-c4csnn4)c3)n12,GLBVJHKRAOOUTB-UHFFFAOYSA-N,5,1,0.477,24,486,406.406,2.818,5,0.411,0.73,1.0,0.512584812555685,0.46514118292097867,0.3404067575902954,0.3379394832430951,0.41401805907751354
EOS-5-03386,COc1cc(-c2nnc3cncc(CNC4CCC(CO)CC4)n23)ccc1-c1ccsn1,WNIIPGODSLBDMX-UHFFFAOYSA-N,5,1,0.362,5,741,450.568,3.564,5,0.444,0.71,1.0,0.18524261531080805,0.010648687547118086,0.05015934480159002,0.1747395654855733,0.10519755328627237
EOS-5-03387,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(OCCc3ccc(Br)nc3)n12,PBFOCXNPLLBKKF-UHFFFAOYSA-N,5,1,0.542,58,28,498.341,4.228,5,0.324,0.57,1.0,0.7908727983003221,0.8503101226783634,0.3785381399492838,0.3735864574052498,0.5983268795833048
EOS-5-03388,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ncns4)c(OC)c3)n12,XYQYRAUBXJUZGS-UHFFFAOYSA-N,5,1,0.35,5,75,437.529,2.69,5,0.427,0.56,1.0,0.17091015009252278,0.03224590500993763,0.19268727297649235,0.18309231718182442,0.14473391131519428
EOS-5-03389,COc1cc(-c2nnc3cncc(CNCc4ccoc4)n23)ccc1-c1cscn1,PDGNSYYTEGPDLQ-UHFFFAOYSA-N,5,1,0.34,60,257,418.482,3.806,5,0.43,0.77,1.0,0.2619508601192516,0.09529847166061271,0.41084401343293814,0.287857240764855,0.26398764649441436
EOS-5-03390,OCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5ncsn5)cc4Cl)n23)CC1,AJZLKOJLAVRJPK-UHFFFAOYSA-N,5,1,0.33,78,741,470.002,3.994,5,0.422,0.68,0.999,0.13555445137413474,0.14953567267493661,0.027808237954903708,0.24915187444314987,0.14051255911178123
EOS-5-03391,COc1cc(-c2nnc3cncc(CNC4CCC(C)(C)CC4)n23)ccc1-c1ncsn1,HVBNDRNFEOVPPK-UHFFFAOYSA-N,5,1,0.348,5,741,449.584,4.377,5,0.467,0.62,1.0,0.17645295044890685,0.01521485847440203,0.014949283805085327,0.05086183263655678,0.06436973134123775
EOS-5-03392,COc1cc(-c2nnc3cncc(CNC(=O)C(OC)c4ccccc4)n23)ccc1-c1cscn1,FBIZSVUALHJQQZ-UHFFFAOYSA-N,5,1,0.406,62,257,486.557,3.927,5,0.354,0.55,1.0,0.3302635186073607,0.17752381605099032,0.5309780001370707,0.36047906243574807,0.3498110993077925
EOS-5-03393,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)c(F)c4)n23)cc1F,HWHLKJVUFBTIPQ-UHFFFAOYSA-N,5,1,0.378,0,21,476.487,3.852,5,0.482,0.93,1.0,0.17091871701733946,0.15719450346103764,0.013621410458501817,0.11884894798163251,0.11514589472962786
EOS-5-03394,COc1cc(-c2nnc3cncc(CNC(=O)C(C)F)n23)ccc1-c1ccsn1,WBQLAMQOODPHAQ-UHFFFAOYSA-N,5,1,0.429,5,966,412.45,2.898,4,0.523,0.57,1.0,0.32757350421492704,0.2645552052635186,0.2705777534096361,0.1481820985539031,0.25272214036049623
EOS-5-03395,COc1cc(-c2nnc3cncc(CNC(=O)C(C)F)n23)ccc1-c1cncs1,DHUUXORIYWZQOE-UHFFFAOYSA-N,5,1,0.438,5,966,412.45,2.898,4,0.523,0.6,1.0,0.3275820711397437,0.2594835857720513,0.3002193132753067,0.16383387019395518,0.2627797100952642
EOS-5-03396,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5ncc(F)cn5)c(CC)n4)n23)C1,RAXHBMIRFWCTBK-UHFFFAOYSA-N,5,1,0.273,78,878,442.502,3.236,5,0.458,0.65,0.399,0.1547015283393873,0.04907991227468988,0.08285072990199438,0.18310088410664108,0.11743326365567816
EOS-5-03397,COc1cc(-c2nnc3cncc(CNC(=O)C4(C)CC4)n23)ccc1-c1ccsn1,OHAYKMJYJNWFMR-UHFFFAOYSA-N,5,1,0.396,5,966,420.498,3.34,5,0.514,0.71,1.0,0.22949934891371393,0.10153519292714687,0.014375299842368584,0.03377938455212117,0.09479730655883763
EOS-5-03398,COc1cc(-c2nnc3cncc(CNC(=O)CC(C)C)n23)ccc1-c1cscn1,ZYSVZLFZFQVOOK-UHFFFAOYSA-N,5,1,0.392,5,966,422.514,3.586,4,0.489,0.83,1.0,0.23214652868206428,0.04908847919950655,0.11868617641011582,0.040453018984305394,0.11009355081899802
EOS-5-03399,CNC(=O)c1ccc(-c2nnc3cncc(Cc4ccc(-c5cscn5)nc4)n23)cc1,VVGMKGIAKBZWKR-UHFFFAOYSA-N,5,1,0.405,62,357,427.493,3.26,5,0.462,0.8,1.0,0.17368583373312316,0.09195737098211226,0.28580117880885475,0.18310945103145776,0.18363845863888695
EOS-5-03400,Cc1cnc(-c2ccc(-c3nnc4cncc(C)n34)c(-c3ccc(Cl)nn3)n2)cn1,XQCKZPNDKAOLKK-UHFFFAOYSA-N,5,1,0.321,85,60,415.848,3.371,5,0.441,0.66,1.0,0.22393941470769652,0.3057878144061408,0.1538791035569872,0.18856658213967514,0.2180432287026249
EOS-5-03401,Clc1ccc(-c2nnc3cncc(OCc4ccc(-c5cn[nH]c5)cn4)n23)cn1,XMNKRLOWOCUVEN-UHFFFAOYSA-N,5,1,0.494,55,390,404.821,3.204,5,0.448,0.6,1.0,0.517613597423069,0.7199729285175793,0.5713881844972929,0.5716023576177095,0.5951442670139127
EOS-5-03402,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(-n2cncn2)nc1,XZFZPAMWWBFWLP-UHFFFAOYSA-N,5,1,0.317,78,830,441.474,3.215,6,0.432,0.8,1.0,0.11632170516071551,0.1382787334658351,0.1478308546364197,0.3159738880131588,0.1796012953190323
EOS-5-03403,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1cncnc1,PDAJKMMCIBWQMI-UHFFFAOYSA-N,5,1,0.351,5,741,459.554,3.288,5,0.413,0.69,1.0,0.18812966897402508,0.009706325817284627,0.05583921595504078,0.1885751490644918,0.11056258995271057
EOS-5-03404,COc1cc(-c2nnc3cncc(CNC4CCC(OC)CC4)n23)ccc1-c1cscn1,KIBUYEKZGULJGY-UHFFFAOYSA-N,5,1,0.337,5,741,450.568,3.971,5,0.456,0.85,1.0,0.1852511822356247,0.00821568089918443,0.08285929682681105,0.17474813241038997,0.11276857309300253
EOS-5-03405,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)cc1F,OVARXWARLQONKB-UHFFFAOYSA-N,5,1,0.408,78,753,419.464,3.23,5,0.518,0.91,1.0,0.20477520389281065,0.177532382975807,0.017990542115002398,0.06894661092454253,0.11731118497704064
EOS-5-03406,CCN(Cc1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3F)n12)C(=O)C1CC1,HQEREWYFGCYNJY-UHFFFAOYSA-N,5,1,0.371,78,830,436.516,4.121,5,0.454,0.86,1.0,0.09592385717222945,0.21863648824617915,0.013629977383318484,0.05782674251250771,0.0965042663285587
EOS-5-03407,CNC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5ccsn5)c(OC)c4)n23)C1,YQEHLBBOVKIVQA-UHFFFAOYSA-N,5,1,0.337,5,741,463.567,2.928,5,0.434,0.58,1.0,0.18244123089575767,0.01664553491878555,0.040435885134672056,0.06083373312315811,0.07508909601809334
EOS-5-03408,Clc1cc(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)ncn1,YXGPDNKEYUPMHJ-UHFFFAOYSA-N,5,1,0.506,7,420,407.781,2.259,5,0.4,0.65,1.0,0.4283376739085738,0.4651497498457954,0.17640154890000687,0.19947227743129325,0.31734031252141737
EOS-5-03409,COc1cc(-c2nnc3cncc(CNCC4CCc5ccccc54)n23)ccc1-c1cncs1,DSKBIOAUTBCCOK-UHFFFAOYSA-N,5,1,0.394,14,257,468.586,4.743,6,0.372,0.61,1.0,0.18244979782057433,0.0322544719347543,0.5034696045507505,0.4712836680145295,0.29736438558015216
EOS-5-03410,CCc1nc(-c2nnc3cncc(CNCC4CC4(F)F)n23)ccc1-c1ccnc(C)n1,FAJVQGPNIKDGIN-UHFFFAOYSA-N,5,1,0.286,78,878,436.47,3.259,5,0.475,0.56,0.738,0.12709032965526695,0.1205537660201494,0.3222791446782263,0.3188181070522925,0.2221853368514838
EOS-5-03411,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n23)c(F)c1F,ZAZQOJRJNXNCQS-UHFFFAOYSA-N,5,1,0.461,0,901,478.459,2.569,5,0.484,0.9,1.0,0.21848228359947913,0.09196593790692893,0.08540367349736139,0.15330511959427043,0.13728925364950997
EOS-5-03412,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4csnn4)c(F)c3)n12,SSIANAMSAWBGNR-UHFFFAOYSA-N,5,1,0.343,78,75,425.493,2.821,5,0.464,0.62,0.999,0.14062607086560208,0.18601363854430814,0.37854670687410047,0.4712922349393462,0.29411966280583923
EOS-5-03413,COCC1(F)CCC(NCc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)CC1,XONRMWXOFZIKOF-UHFFFAOYSA-N,5,1,0.347,5,741,482.585,4.31,5,0.4,0.59,1.0,0.26459803988760194,0.11722123226646564,0.12990884791995067,0.27921321362483725,0.1977353334247139
EOS-5-03414,O=C(NCc1cncc2nnc(-c3ccc(-c4ncon4)cc3Cl)n12)C1CCOC1,PCBJWWZHZHPJOS-UHFFFAOYSA-N,5,1,0.398,78,753,425.836,2.147,5,0.516,0.62,1.0,0.17646151737372354,0.09833972997052978,0.026583167706120212,0.0967120142553629,0.09952410732643412
EOS-5-03415,COc1cc(-c2nnc3cncc(CNC4CCC(CO)OC4)n23)ccc1-c1ccsn1,PSHJNHZMJVAZNY-UHFFFAOYSA-N,5,1,0.347,5,743,452.54,2.553,5,0.441,0.59,1.0,0.18525974916044136,0.007436090740867658,0.1795798780069906,0.22905386882324721,0.1503323966828867
EOS-5-03416,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4nncnc4-c4ccccc4)n23)cc1F,WGDCEIQMBXPBBG-UHFFFAOYSA-N,5,1,0.295,62,302,452.453,3.342,6,0.435,0.82,1.0,0.10819169350969776,0.13828730039065176,0.16355116167500514,0.3127784250565417,0.1807021451579741
EOS-5-03417,COc1cc(-c2nnc3cncc(CNC(=O)CC4CCC4)n23)ccc1-c1cscn1,OPFZXVMYMWWEEG-UHFFFAOYSA-N,5,1,0.388,5,966,434.525,3.73,5,0.476,0.83,1.0,0.17934857103694057,0.01986669864985265,0.013133095743951752,0.03482454937975464,0.06179322870262491
EOS-5-03418,COCCC(=O)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3F)n12,TVBLDDBEHULUKO-UHFFFAOYSA-N,5,1,0.385,78,753,426.477,3.015,4,0.488,0.89,1.0,0.16826297032417242,0.10154375985196354,0.09967617024192996,0.08181413199917757,0.11282425810431089
EOS-5-03419,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCCC5)n34)c(Cl)c2)cs1,GCXTZFRIBXEMAL-UHFFFAOYSA-N,5,1,0.317,78,830,424.961,4.909,5,0.493,0.87,1.0,0.15471009526420396,0.1572030703858543,0.04495922143787266,0.24916044136796656,0.15150820711397436
EOS-5-03420,Clc1ccc(-c2nnc3cncc(OCc4cccc(-n5cnnn5)n4)n23)cc1,KMDGVMULFYXSIK-UHFFFAOYSA-N,5,1,0.541,36,32,405.809,2.394,5,0.438,0.74,1.0,0.4488982934685765,0.7107206497155781,0.27476697964498664,0.3604876293605647,0.44871838804742653
EOS-5-03421,Cc1ccnc(-c2cscc2-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2)n1,MKYQEWYOVHYJRX-UHFFFAOYSA-N,5,1,0.344,52,172,453.575,4.927,6,0.393,0.73,1.0,0.15471866218902064,0.0382427523816051,0.0902953875676787,0.20253923651566033,0.1214490096634912
EOS-5-03422,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5CCOC5)n34)cc2F)cs1,IEKDECCEKNOJPH-UHFFFAOYSA-N,5,1,0.406,78,75,424.505,3.488,5,0.511,0.64,1.0,0.1682715372489891,0.1277671167157837,0.110016448495648,0.2346737715029813,0.16018221849085051
EOS-5-03423,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)c(F)c4)n23)cc1F,XQIIKRYLHZZCLP-UHFFFAOYSA-N,5,1,0.378,0,21,462.46,3.462,5,0.5,0.94,1.0,0.12428894524021657,0.1142485093550819,0.025615105201836748,0.15088067987115344,0.10375830991707216
EOS-5-03425,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4F)n23)C1,DMDYIPRJNUBGLB-UHFFFAOYSA-N,5,1,0.315,78,830,466.586,4.657,5,0.407,0.62,1.0,0.1355630182989514,0.10822596120896442,0.14190254266328559,0.3127869919813584,0.17461962853813995
EOS-5-03426,CNC(=O)c1ccc(-c2nnc3cncc(-c4snnc4-c4ccc(C#N)cn4)n23)c(F)c1F,OCWUFLXDVDYYQA-UHFFFAOYSA-N,5,1,0.321,74,26,475.444,2.881,5,0.419,0.66,0.966,0.13557158522376808,0.21357343567952847,0.4513912685902269,0.46198855458844496,0.31563121102049213
EOS-5-03427,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)c(F)c1F,IGENILUFBFYLDX-UHFFFAOYSA-N,5,1,0.364,0,21,476.487,3.722,5,0.485,0.9,1.0,0.17092728394215612,0.13456068809540128,0.028819135083270508,0.11885751490644918,0.11329115550681927
EOS-5-03428,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cc(-c5cccnn5)ncn4)n23)cc1F,YGQXJGAUMBLREH-UHFFFAOYSA-N,5,1,0.355,74,768,456.445,2.149,5,0.394,0.75,1.0,0.12429751216503324,0.10155232677678021,0.20306181892947708,0.12345795353299979,0.13809240285107258
EOS-5-03429,O=C(O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5ncsn5)cc4F)n23)CC1,TUDAVNFUZNDRDT-UHFFFAOYSA-N,5,1,0.324,78,830,453.503,3.182,5,0.457,0.79,1.0,0.1243060790898499,0.09834829689534645,0.01880439997258584,0.10085840586663011,0.08557929545610307
EOS-5-03430,COc1cc(-c2nnc3cncc(COc4cnccn4)n23)ccc1-c1cncnc1,VWIFCMJQJIFNRM-UHFFFAOYSA-N,5,1,0.364,2,767,412.413,2.626,5,0.415,0.66,1.0,0.3469947227743129,0.1816616407374409,0.3968799259817696,0.25547426495785075,0.29525263861284357
EOS-5-03431,NC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5ncsn5)cc4F)n23)CC1,JEKXYSSMOSELLE-UHFFFAOYSA-N,5,1,0.351,78,741,452.519,2.583,5,0.461,0.76,1.0,0.11356315536974848,0.11722979919128229,0.00817284627510109,0.06543417174970872,0.07609999314646015
EOS-5-03432,c1cncc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-c6ccncc6)nn5)n34)cn2)c1,QCNBKSJPOQAITR-UHFFFAOYSA-N,5,1,0.365,60,869,472.516,3.39,6,0.373,0.7,0.999,0.18526831608525804,0.04909704612432321,0.2600147351106847,0.25224453430196697,0.18665615790555823
EOS-5-03433,Fc1cc(-c2c[nH]nn2)ccc1-c1nnc2cncc(CNCc3cccc(-n4cnnn4)n3)n12,NIFDCTPDAPVQBE-UHFFFAOYSA-N,5,1,0.293,60,644,469.448,1.376,6,0.35,0.57,0.957,0.11357172229456514,0.17754094990062366,0.12991741484476732,0.1459718319512028,0.14175047974778973
EOS-5-03434,Clc1ccc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)cc1,ITTACOJOCGTDQL-UHFFFAOYSA-N,5,1,0.373,60,644,418.852,2.105,5,0.446,0.83,0.999,0.1764700842985402,0.26456377218833527,0.18926050304982522,0.2554828318826674,0.22144429785484201
EOS-5-03435,COc1cc(-c2nnc3cncc(CN(C(C)=O)C4CCC4)n23)ccc1-c1nccs1,AKEASKCHESVVOQ-UHFFFAOYSA-N,5,1,0.419,5,743,434.525,3.824,5,0.459,0.85,1.0,0.14611746967308614,0.07551744225892673,0.007718799259817696,0.01321876499211843,0.06064311904598725
EOS-5-03436,CC(F)C(=O)NCc1cncc2nnc(-c3ccc(-c4cncs4)nc3Cl)n12,UPFDOCMJNSCVED-UHFFFAOYSA-N,5,1,0.417,68,585,417.857,2.937,4,0.501,0.59,1.0,0.2018624494551436,0.23378281132204784,0.19952367898019327,0.2083818792406278,0.21088770474950314
EOS-5-03437,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)ccc1-c1cscn1,UMMKLYQOTARWMY-UHFFFAOYSA-N,5,1,0.396,5,966,420.498,3.34,5,0.514,0.88,1.0,0.24589644301281613,0.04910561304913988,0.014957850729901995,0.03483311630457131,0.08619825577410734
EOS-5-03439,OCc1nnc(-c2ccc(-c3nnc4cncc(CNC5CCCC5)n34)c(F)c2)s1,WIARCPYZUKAZKN-UHFFFAOYSA-N,5,1,0.316,78,830,425.493,2.973,5,0.49,0.8,1.0,0.14923583030635323,0.14954423959975327,0.009089507230484545,0.07468645055170996,0.09563900692207525
EOS-5-03441,COCC(C)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)c(F)c3)n12,WOFYYBLYKBINKU-UHFFFAOYSA-N,5,1,0.356,78,75,412.494,3.487,4,0.501,0.67,1.0,0.3152371324789254,0.25949215269686793,0.47927660886848056,0.35074703584401346,0.3511882324720718
EOS-5-03442,NC(=O)c1ccc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)cc1F,ZGYCFRUFNCUMNZ-UHFFFAOYSA-N,5,1,0.349,36,644,446.41,0.085,5,0.349,0.68,0.998,0.10820026043451443,0.12777568364060038,0.05954869440065794,0.04559317387430608,0.08527945308751969
EOS-5-03443,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCC5CCOCC5)n34)cc2F)n1,TXEFWOMCAHFWPI-UHFFFAOYSA-N,5,1,0.408,78,75,434.479,2.607,5,0.494,0.73,1.0,0.13285587005688437,0.10156089370159688,0.019712494003152628,0.08894181344664519,0.08576776780206977
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EOS-5-03446,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5ncc(Cl)cn5)c(CC)n4)n23)C1,CVFVPEAHTGDDQL-UHFFFAOYSA-N,5,1,0.273,78,878,458.957,3.751,5,0.44,0.59,0.399,0.13804742649578508,0.0681841546158591,0.08041772325406073,0.2146014666575286,0.12531269275580836
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EOS-5-03448,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,WLBGNOVNGXDGID-UHFFFAOYSA-N,5,1,0.367,78,634,425.493,2.821,5,0.434,0.58,0.978,0.14063463779041877,0.16484476732232198,0.24923754369131657,0.3188266739771092,0.21838590569529162
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EOS-5-03451,NC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5nncs5)cc4F)n23)CC1,CMSKCOOMDHDDKZ-UHFFFAOYSA-N,5,1,0.327,78,830,452.519,2.583,5,0.461,0.83,1.0,0.11633027208553218,0.1082345281337811,0.00860119251593448,0.07069426358714276,0.07596506408059762
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EOS-5-03455,CCCOc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(C)nn1,YKTQVZBIMOLKAR-UHFFFAOYSA-N,5,1,0.337,5,741,429.528,3.988,5,0.453,0.9,1.0,0.17935713796175726,0.03226303885957097,0.03628949352340484,0.0689551778493592,0.07921621204852305
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EOS-5-03457,Fc1cc(-c2nsc(Cl)n2)ccc1-c1nnc2cncc(CNC3CCC3)n12,AEQLOFHBRSIQPB-UHFFFAOYSA-N,5,1,0.377,78,830,415.885,3.744,5,0.534,0.84,1.0,0.24056781577684874,0.2186536220958125,0.057621136316907684,0.2761633883901035,0.1982514906449181
EOS-5-03458,COc1cc(-c2nnc3cncc(CNCC4CC4c4ccccn4)n23)ccc1-c1cscn1,VZKMIOTWVIUGKC-UHFFFAOYSA-N,5,1,0.33,14,257,469.574,4.212,6,0.364,0.59,1.0,0.16570145980398876,0.056644506887807554,0.45139983551504353,0.3829586731546844,0.26417611884038106
EOS-5-03459,CC(C)CCCC(=O)NCc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12,FSKGQGWNOKBPCP-UHFFFAOYSA-N,5,1,0.385,78,753,439.52,3.891,4,0.447,0.79,1.0,0.1135802892193818,0.12056233294496607,0.046775409499006236,0.05783530943732438,0.08468833527516963
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EOS-5-03492,COc1cc(-c2nnc3cncc(CNC4CCC(C(N)=O)CC4)n23)ccc1-c1cnsn1,XHTDREMROXCVPF-UHFFFAOYSA-N,5,1,0.343,5,741,464.555,2.452,5,0.426,0.67,1.0,0.17371153450757315,0.012439174833801659,0.0059797135220341305,0.02088616270303612,0.053254146391611266
EOS-5-03494,Cc1nccc(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)c1F,WIRARASBEOFUGQ-UHFFFAOYSA-N,5,1,0.471,75,420,404.365,2.658,5,0.436,0.59,1.0,0.6442670139126859,0.47393084778287986,0.32957816462202727,0.2675022274004523,0.4288195634295114
EOS-5-03495,CN(Cc1cncc2nnc(-c3ccc(-c4nncs4)cc3F)n12)c1nccs1,MGRGDRPCYFCMFL-UHFFFAOYSA-N,5,1,0.37,14,487,424.49,3.542,5,0.427,0.63,1.0,0.13558015214858474,0.18167020766225755,0.07837022822287712,0.08355321773696114,0.11979345144267012
EOS-5-03496,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5CCCCC5)n34)c(F)c2)cs1,ICLZLNCGIXNQMM-UHFFFAOYSA-N,5,1,0.358,78,830,436.56,5.032,5,0.459,0.83,0.976,0.1033085463641971,0.1455691864848194,0.013638544308135152,0.13631690768281818,0.09970829620999246
EOS-5-03497,OCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)CC1,SBQLVRHAXPFZDI-UHFFFAOYSA-N,5,1,0.306,78,830,453.547,3.48,5,0.442,0.72,0.993,0.10331711328901377,0.12057089986978274,0.03760023302035501,0.2613940100061682,0.13072056404632992
EOS-5-03498,CNC(=O)c1ccc(Cc2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)cc1,LATGEQIRSNEJIW-UHFFFAOYSA-N,5,1,0.283,0,862,444.47,2.773,5,0.476,0.85,1.0,0.11058186553354808,0.10476492358303063,0.2633387019395518,0.2522531012267836,0.18273464807072853
EOS-5-03499,Fc1cncnc1COc1cncc2nnc(-c3cc(-c4cncs4)cnn3)n12,MMHFGHWXQQPTKT-UHFFFAOYSA-N,5,1,0.402,92,182,407.394,2.213,5,0.432,0.55,1.0,0.4489154273182099,0.40700603111507094,0.1697364813926393,0.19124802960729217,0.30422649235830307
EOS-5-03500,Clc1cccc(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)n1,QQJOTCXLJIJJEM-UHFFFAOYSA-N,5,1,0.542,75,420,406.793,2.864,5,0.406,0.67,1.0,0.4627424439723117,0.45642005345761083,0.2562195874169008,0.29397402508395587,0.36733902748269476
EOS-5-03501,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1cscn1,TZEOACYFTRFYHR-UHFFFAOYSA-N,5,1,0.354,5,741,464.595,3.954,5,0.407,0.76,1.0,0.1793657048865739,0.008883901034884518,0.03629806044822151,0.14819066547871976,0.09318458296209992
EOS-5-03503,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC(F)(F)CC5)n34)cn2)cs1,HNNVQSQQSAJXMT-UHFFFAOYSA-N,5,1,0.333,78,830,441.511,4.286,5,0.498,0.74,0.849,0.11633883901034885,0.09838256459461311,0.12687615653485024,0.30015077787677336,0.1604370845041464
EOS-5-03506,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)ccc1-c1cnsn1,VYVDCHUMAOUZIG-UHFFFAOYSA-N,5,1,0.388,5,966,421.486,2.735,5,0.51,0.8,1.0,0.2267922006716469,0.041900829278322255,0.007727366184634364,0.017699266671235694,0.0735299157014598
EOS-5-03507,Fc1cccnc1COc1cncc2nnc(-c3cc(-c4nccs4)ncn3)n12,ZBTYLNMRIPLQHD-UHFFFAOYSA-N,5,1,0.438,46,726,406.406,2.818,5,0.439,0.62,0.95,0.48747515591803164,0.4519909533273936,0.17958844493180728,0.19662805839215955,0.32892065314234803
EOS-5-03508,COc1cc(-c2nnc3cncc(CNC(=O)C4CCO4)n23)ccc1-c1ccsc1,YSNQNJANTICHBU-UHFFFAOYSA-N,5,1,0.392,5,966,421.482,2.934,5,0.515,0.62,1.0,0.22395654855732985,0.04912274689877322,0.14484956480021932,0.15088924679597013,0.14220452676307313
EOS-5-03509,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC(F)C5)cc4)n23)cc1F,ROVVILXLOUTNSU-UHFFFAOYSA-N,5,1,0.385,0,901,462.46,3.27,5,0.501,0.8,1.0,0.12142759235144952,0.0919745048317456,0.10211774381468028,0.2491775752175999,0.14117435405386883
EOS-5-03510,COCC1(NCc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)CC1,XURRSWICSVTSEV-UHFFFAOYSA-N,5,1,0.349,5,743,422.514,3.192,5,0.467,0.57,1.0,0.23516208621753135,0.01665410184360222,0.06165615790555822,0.14327325063395244,0.11418639915016107
EOS-5-03511,Fc1ccc(F)c(NCc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)c1,YIPAKTYNQYDZDJ-UHFFFAOYSA-N,5,1,0.407,23,678,405.33,4.7,4,0.5,0.86,1.0,0.4948341443355493,0.6091854567884313,0.9973699540812829,0.9960335138098828,0.7743557672537865
EOS-5-03512,COc1cc(-c2nnc3cncc(CNC4CCCC4O)n23)ccc1-c1cnc(C)s1,CZFRQOKHOSNQEC-UHFFFAOYSA-N,5,1,0.362,5,741,436.541,3.235,5,0.479,0.58,1.0,0.1628743746144884,0.015223425399218697,0.17959701185662394,0.19125659653210883,0.13723785210060996
EOS-5-03513,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)CC5)c(F)c4)n23)cc1F,FBZVSOKFCAUCNV-UHFFFAOYSA-N,5,1,0.366,0,21,480.45,3.41,5,0.482,0.95,1.0,0.17094441779178945,0.21358200260434515,0.17325748749228978,0.39872181481735314,0.23912643067644437
EOS-5-03514,CNC(=O)C1(F)CCC(NCc2cncc3nnc(-c4ccc(-c5csc(C)n5)c(F)c4)n23)C1,GWLQKQJXMPSSLQ-UHFFFAOYSA-N,5,1,0.339,78,830,483.548,3.459,5,0.436,0.56,0.999,0.2405763827016654,0.16102391885408815,0.1327445000342677,0.27023507641696937,0.20114496950174765
EOS-5-03515,O=C(CCN1CCCC1)NCc1cncc2nnc(-c3ccc(-c4nncs4)cc3F)n12,KAZLXSZSQQGTQS-UHFFFAOYSA-N,5,1,0.37,78,753,452.519,2.551,5,0.46,0.88,1.0,0.12143615927626619,0.07200500308409294,0.0007367555342334315,0.003923651566033856,0.04952539236515661
EOS-5-03516,COc1cc(-c2nnc3cncc(CNC(=O)C4(C)CC4)n23)ccc1-c1cnsc1,OOZRHADLNYMRIE-UHFFFAOYSA-N,5,1,0.404,5,966,420.498,3.34,5,0.514,0.68,1.0,0.2129566170927284,0.09198307175656227,0.020620588033719415,0.05087039956137345,0.09410766911109589
EOS-5-03517,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(CNCC3(F)CCOC3)n12,NBVHJEPBVKSVCO-UHFFFAOYSA-N,5,1,0.385,78,634,429.456,2.667,5,0.471,0.51,0.998,0.11900315262833254,0.14557775340963608,0.07187649921184291,0.1966366253169762,0.13327350764169693
EOS-5-03518,COc1cc(-c2nnc3cncc(CNC4CCCC4OC)n23)ccc1-c1nccs1,GOMKCVUHLBCNLP-UHFFFAOYSA-N,5,1,0.344,5,743,436.541,3.581,5,0.474,0.61,1.0,0.1682972380234391,0.0114968131039682,0.16355972859982182,0.1912651634569255,0.13365473579603865
EOS-5-03519,Cn1ccnc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ncn1,XSCIWMKJJARILP-UHFFFAOYSA-N,5,1,0.4,46,971,406.356,3.052,5,0.453,0.69,1.0,0.5076416969364677,0.4023541909396203,0.5177849359194023,0.5220598314029196,0.48746016379960244
EOS-5-03520,Cn1nc(-c2ccncc2)cc1CNCc1cncc2nnc(-c3ccc(Cl)cn3)n12,YHTYVGHHXRYQTO-UHFFFAOYSA-N,5,1,0.351,85,60,431.891,2.925,5,0.441,0.82,1.0,0.11634740593516552,0.13104824892056746,0.20671132890137756,0.24918614214241655,0.17582328147488177
EOS-5-03521,COc1cc(-c2nnc3cncc(CNc4cncc(C#N)c4)n23)ccc1-c1cncs1,MUHJIPAEVUNSDZ-UHFFFAOYSA-N,5,1,0.333,60,257,440.492,3.802,5,0.424,0.7,1.0,0.14064320471523542,0.03825131930642177,0.5480518812966897,0.40799122746898775,0.28373440819683365
EOS-5-03522,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCC4)n23)ccc1-c1nccs1,JPZDSYJEKLWGNM-UHFFFAOYSA-N,5,1,0.398,5,966,434.525,3.73,5,0.497,0.93,1.0,0.16288294153930505,0.018256116784319102,0.005679871153450758,0.01528339387293537,0.05052558083750257
EOS-5-03523,Fc1cncnc1COc1cncc2nnc(-c3cncc(-c4cnsc4)c3)n12,LIXXDGDMJYSQTD-UHFFFAOYSA-N,5,1,0.471,2,419,406.406,2.818,5,0.439,0.7,1.0,0.47519018573093,0.4696045507504626,0.3707079706668494,0.37359502433006647,0.42227443286957717
EOS-5-03524,COc1cc(-c2nnc3cncc(CNC4CCC(O)CC4)n23)ccc1-c1cncs1,RUOXXEDAHBFRTP-UHFFFAOYSA-N,5,1,0.374,5,741,436.541,3.317,5,0.478,0.8,1.0,0.1657185936536221,0.011505380028784868,0.08782811322047837,0.19127373038174217,0.11408145432115688
EOS-5-03525,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnccn5)no4)n23)ccc1-c1cnco1,GDKUOSBUAUYDPJ-UHFFFAOYSA-N,5,1,0.321,60,149,481.476,3.19,6,0.342,0.65,1.0,0.21849941744911247,0.12429751216503324,0.2314012062230142,0.1481992324035364,0.18059934206017408
EOS-5-03526,COc1cc(-c2nnc3cncc(CNC4CCC(CO)OC4)n23)ccc1-c1nccs1,SUOQNPLRHSMABF-UHFFFAOYSA-N,5,1,0.347,5,743,452.54,2.553,5,0.441,0.59,1.0,0.16572716057843875,0.007444657665684326,0.14485813172503598,0.18311801795627441,0.12528699198135837
EOS-5-03527,OCc1cc(-c2nnc3cncc(OCCc4cnccc4F)n23)ccc1Cl,XIKDMJFTSPGMJZ-UHFFFAOYSA-N,5,1,0.603,90,281,399.813,3.093,4,0.536,0.71,1.0,0.8995014049756699,0.9277465560962237,0.8737492289767665,0.8773130697005003,0.89457756493729
EOS-5-03528,COc1cc(-c2nnc3cncc(CNC4CCC(C)(C)C4)n23)ccc1-c1nccs1,AFERFQXERPLOLT-UHFFFAOYSA-N,5,1,0.348,5,743,434.569,4.592,5,0.478,0.66,1.0,0.16830580494825578,0.012447741758618326,0.09242855184702899,0.13859570968405183,0.10294445205948873
EOS-5-03529,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)nc5)cc4)n23)cc1,UGNOJUWZASWVNE-UHFFFAOYSA-N,5,1,0.404,62,504,453.437,3.344,5,0.393,0.82,1.0,0.10062709889658009,0.11724693304091563,0.6001473511068467,0.4367246933040916,0.3136865190871085
EOS-5-03530,OCc1cc(-c2nnc3cncc(OCCc4ccncc4F)n23)ccc1Cl,FTFJBGJYGOFBAY-UHFFFAOYSA-N,5,1,0.612,90,281,399.813,3.093,4,0.536,0.71,1.0,0.902825371804537,0.922220889589473,0.877527242820917,0.8758052909327668,0.8945946987869234
EOS-5-03531,CC(C)CCn1nnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(F)c(F)c5)n34)cc2)n1,DYLWVMIFSWVTCD-UHFFFAOYSA-N,5,1,0.417,61,269,489.534,4.059,5,0.333,0.74,1.0,0.35134672058118016,0.29579021314508946,0.2747755465698033,0.3032434377355904,0.30628897950791584
EOS-5-03532,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12,OCUVHCJLCARXQN-UHFFFAOYSA-N,5,1,0.317,78,75,425.493,2.821,5,0.464,0.64,0.997,0.12434034678911658,0.18167877458707424,0.3707165375916661,0.4649612774998287,0.2854242341169214
EOS-5-03533,NC(=O)c1ccc(-c2nnc3cncc(CNc4cccc(-n5cncn5)n4)n23)cc1F,SMCCPEXECLSCOF-UHFFFAOYSA-N,5,1,0.361,14,416,430.407,1.617,5,0.414,0.79,0.755,0.1190117195531492,0.12779281749023372,0.1666181207593722,0.10713796175724762,0.1301401548900007
EOS-5-03535,COc1cc(-c2nnc3cncc(CNC4CCCC4O)n23)ccc1-c1ccccc1,ZFHBMPXZADYFIQ-UHFFFAOYSA-N,5,1,0.374,5,741,415.497,3.47,5,0.502,0.51,1.0,0.322364813926393,0.03825988623123844,0.4292200671646906,0.5021588650538003,0.3230009080940306
EOS-5-03536,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCC3CC3(F)F)n12,QRSGSEQVDGFVSK-UHFFFAOYSA-N,5,1,0.337,78,830,417.42,3.194,5,0.519,0.55,0.999,0.17095298471660614,0.3007076279898568,0.7177283942156124,0.7722226029744363,0.49040290247412793
EOS-5-03537,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCCCC5)n34)cc2F)cs1,AUUJZAPQVAZMRT-UHFFFAOYSA-N,5,1,0.348,78,830,422.533,4.785,5,0.501,0.89,1.0,0.16573572750325544,0.12780138441505037,0.023507641696936466,0.16384243711877183,0.12022179768350352
EOS-5-03538,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(C(F)F)nn1,XQHYZCAKJMEBOZ-UHFFFAOYSA-N,5,1,0.295,78,878,436.47,3.785,5,0.471,0.66,0.083,0.1270988965800836,0.07553457610856007,0.07608285929682682,0.16926530052772257,0.11199540812829828
EOS-5-03539,COc1cc(-c2nnc3cncc(CNCC4CC4c4cnccn4)n23)ccc1-c1ncsn1,LVZNGKQSZPGNDG-UHFFFAOYSA-N,5,1,0.34,85,172,471.55,3.002,6,0.364,0.5,1.0,0.157494345829621,0.06452607771914194,0.20307038585429374,0.16385100404358852,0.1472354533616613
EOS-5-03540,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCc6ccccc65)cc4)n23)cc1,KRUIGIBOVOFCNV-UHFFFAOYSA-N,5,1,0.375,62,504,460.497,3.76,6,0.44,0.85,1.0,0.13806456034541842,0.0382684531560551,0.29663833870193956,0.267510794325269,0.1851205366321705
EOS-5-03541,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(C)F)n34)c(F)c2)cs1,IIIPTTMRMMXTQE-UHFFFAOYSA-N,5,1,0.423,78,753,414.441,3.337,4,0.541,0.66,1.0,0.2514392433692002,0.23934274552806525,0.3821276814474676,0.3066273730381742,0.29488426084572683
EOS-5-03542,COCCOCC(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,OSZOVYMNZOLVRW-UHFFFAOYSA-N,5,1,0.377,5,966,454.512,2.203,4,0.363,0.82,1.0,0.17372010143238983,0.004343430882050579,0.08541224042217806,0.03484168322938798,0.07457936399150161
EOS-5-03543,C=C(F)C(=O)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)c(F)c3)n12,DSPIVHXAIOIFAO-UHFFFAOYSA-N,5,1,0.453,78,753,412.425,3.462,4,0.508,0.72,1.0,0.2915581522856555,0.27499828661503667,0.1927044068261257,0.1533136865190871,0.22814363306147623
EOS-5-03544,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC(F)CC5)cc4)n23)cc1F,JEAJZSHOKQMKSC-UHFFFAOYSA-N,5,1,0.382,0,21,476.487,3.661,5,0.484,0.83,1.0,0.15997875402645467,0.12057946679459941,0.05201836748680694,0.20254780344047701,0.1337810979370845
EOS-5-03545,COc1cc(-c2nnc3cncc(CNC4CCC(C)CC4)n23)ccc1-c1cscn1,HGLCYGAFXLMHDT-UHFFFAOYSA-N,5,1,0.351,5,741,434.569,4.592,5,0.478,0.81,1.0,0.17648721814817353,0.0068706737029675825,0.05398876019464053,0.1432818175587691,0.09515711740113769
EOS-5-03546,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCC5CCOC5)n34)cc2F)n1,DJARHGLJOVIHIZ-UHFFFAOYSA-N,5,1,0.394,78,75,420.452,2.217,5,0.507,0.66,1.0,0.1793742718113906,0.14188540881365225,0.043357206497155784,0.12118771845658283,0.12145115139469537
EOS-5-03547,CCNCc1cnc(-c2ccc(-c3nnc4cncc(OCCc5ccnc(Cl)c5)n34)cn2)s1,JHNJCIXXATUOEY-UHFFFAOYSA-N,5,1,0.471,58,578,492.996,4.089,5,0.307,0.7,1.0,0.4582105407442944,0.4118377767116716,0.1860993077924748,0.18312658488109107,0.30981855253238294
EOS-5-03548,COCC(C)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3F)n12,KCBLTQHLOMYSEQ-UHFFFAOYSA-N,5,1,0.327,78,830,412.494,3.487,4,0.501,0.74,0.995,0.2915667192104722,0.2595007196216846,0.47238023439106297,0.34435610993077925,0.34195094578849977
EOS-5-03549,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1cnsn1,AQVSFGCKRDIKLM-UHFFFAOYSA-N,5,1,0.347,5,741,465.583,3.349,5,0.408,0.64,1.0,0.1737286683572065,0.007453224590500994,0.018812966897402507,0.09886231238434652,0.07471429305736413
EOS-5-03550,CNCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsn5)c(OC)c4)n23)C1,DDWKMSPNQMSNQZ-UHFFFAOYSA-N,5,1,0.324,5,741,450.572,2.796,5,0.423,0.59,1.0,0.17938283873620725,0.0025872112946336784,0.048317455966006444,0.09887087930916318,0.08228959632650264
EOS-5-03551,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5CCOCC5)n34)cc2F)cs1,FUTHAUYLPOHVHM-UHFFFAOYSA-N,5,1,0.421,78,75,438.532,3.879,5,0.492,0.86,1.0,0.1082088273593311,0.09839113151942978,0.0520269344116236,0.18040230278939073,0.1097572990199438
EOS-5-03552,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cscc1-c1ncccn1,UEUPMQDBGYPORW-UHFFFAOYSA-N,5,1,0.34,5,172,469.574,4.628,6,0.372,0.71,1.0,0.1709615516414228,0.01666266876841889,0.10486772668083065,0.17743814680282366,0.117482523473374
EOS-5-03553,COc1cc(-c2nnc3cncc(CNC4CCC(C(N)=O)CC4)n23)ccc1-c1cscn1,VBRDNQBHJYTBAE-UHFFFAOYSA-N,5,1,0.35,5,741,463.567,3.057,5,0.432,0.81,1.0,0.15750291275443767,0.012456308683434994,0.010999931464601466,0.03927935028442191,0.05505962579672401
EOS-5-03554,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)c(F)c4)n23)nc1,LCFSFXIFHRHNQX-UHFFFAOYSA-N,5,1,0.327,0,825,459.485,3.108,5,0.501,0.88,0.878,0.10821739428414776,0.0953241724350627,0.0022702350764169693,0.013227331916935097,0.05475978342814063
EOS-5-03555,CCCCCC(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,FKUICZMOBNRFLI-UHFFFAOYSA-N,5,1,0.385,5,966,436.541,4.12,4,0.397,0.88,1.0,0.15998732095127133,0.011513946953601535,0.01711671578370228,0.01137687615653485,0.049998714961277495
EOS-5-03556,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cc1,NYGCGDFURUZYJP-UHFFFAOYSA-N,5,1,0.435,0,21,430.443,2.932,5,0.536,0.89,1.0,0.12144472620108286,0.11137002261668151,0.020629154958536084,0.08183126584881091,0.08381879240627783
EOS-5-03557,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)n1,UFOKUQWQBLRXIJ-UHFFFAOYSA-N,5,1,0.575,24,912,405.418,3.423,5,0.414,0.66,1.0,0.5176221643478857,0.49682167089301627,0.42208381879240625,0.39873038174216985,0.45881450894386955
EOS-5-03558,CN(Cc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12)c1cncnc1,HCFUUKVLISYHIG-UHFFFAOYSA-N,5,1,0.35,85,767,435.904,3.39,5,0.387,0.62,1.0,0.08383592625591117,0.17754951682544035,0.16974504831745596,0.1615122335686382,0.14816068124186144
EOS-5-03559,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5CCCO5)n34)cc2F)n(C)n1,ASRBWULHNXWARJ-UHFFFAOYSA-N,5,1,0.347,78,75,422.468,2.303,5,0.509,0.67,1.0,0.15751147967925433,0.13457782194503462,0.020637721883352753,0.06378075526009183,0.09412694469193339
EOS-5-03560,NC(=O)c1ccc(-c2nnc3cncc(CNc4cc(-c5cccnn5)ncn4)n23)cc1F,ZMPMGICHIKYTLU-UHFFFAOYSA-N,5,1,0.352,14,768,442.418,1.888,5,0.402,0.73,1.0,0.10583578918511412,0.09533273935987938,0.19603694057980947,0.13860427660886848,0.13395243643341787
EOS-5-03561,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5F)cc4)n23)c(F)n1,AGSBTUXMOAPIIA-UHFFFAOYSA-N,5,1,0.406,62,504,485.454,3.743,5,0.367,0.86,1.0,0.21564663148516208,0.3211568775272428,0.5480604482215065,0.4428843122472757,0.38193706737029676
EOS-5-03562,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1ncco1,QLUQAKBQAYPXHF-UHFFFAOYSA-N,5,1,0.307,60,663,480.492,2.72,6,0.346,0.71,1.0,0.21850798437392913,0.08248235213487766,0.1570402988143376,0.08895038037146186,0.13674525392365156
EOS-5-03563,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1ccncc1,XYVDTIOJBQPERS-UHFFFAOYSA-N,5,1,0.362,5,741,458.566,3.893,5,0.413,0.81,1.0,0.16289150846412173,0.0074617915153176615,0.09031252141731204,0.26435816599273526,0.13125599684737166
EOS-5-03564,CC#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsn5)c(OC)c4)n23)C1,HQILMBCRDKPQRQ-UHFFFAOYSA-N,5,1,0.34,5,741,445.552,3.6,5,0.454,0.62,1.0,0.159995887876088,0.006193886642450826,0.19953224590500993,0.24919470906723323,0.1537291823726955
EOS-5-03565,COc1cc(-c2nnc3cncc(CNC4CCC(C(C)(C)C)CC4)n23)ccc1-c1cnsn1,FNSFMUKODSOGEK-UHFFFAOYSA-N,5,1,0.35,5,741,477.638,5.013,5,0.417,0.62,1.0,0.2185165512987458,0.022119799876636283,0.07837879514769379,0.13861284353368514,0.11440699746419025
EOS-5-03566,OCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5ccnc(F)c5)nc4)n23)CC1,NRKRIVIXLZDMST-UHFFFAOYSA-N,5,1,0.313,78,741,447.518,3.418,5,0.419,0.83,0.991,0.10063566582139676,0.10156946062641355,0.07188506613665958,0.3066359399629909,0.1451815331368652
EOS-5-03567,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)cc1F,OQGJMNDUSGVTOK-UHFFFAOYSA-N,5,1,0.398,0,21,430.443,2.932,5,0.536,0.91,1.0,0.1271074635049003,0.09534130628469605,0.019721060927969297,0.08528373654992803,0.08186339181687341
EOS-5-03569,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCO4)n23)ccc1-c1cnsn1,ITWUASUTTFZXHD-UHFFFAOYSA-N,5,1,0.364,5,966,437.485,2.114,5,0.488,0.57,1.0,0.16831437187307244,0.006879240627784251,0.016319991775752177,0.022505311493386335,0.053504728942498796
EOS-5-03570,Cn1cncc1-c1ccc(-c2nnc3cncc(CNCc4ccc(-c5cccnc5)nn4)n23)cc1,QWJMAKUTNLFVBW-UHFFFAOYSA-N,5,1,0.344,60,84,474.532,3.334,6,0.375,0.69,1.0,0.16832293879788912,0.056661640737440885,0.282263038859571,0.24625625385511618,0.1883759680625043
EOS-5-03571,CCc1nc(-c2ccc(-c3nnc4cncc(CNC5CCCC5)n34)cc2F)cs1,WESFCHXJUKQCRE-UHFFFAOYSA-N,5,1,0.341,78,830,422.533,4.649,5,0.49,0.9,1.0,0.1629000753889384,0.11426564320471523,0.025623672126653417,0.14329038448358578,0.1115199438009732
EOS-5-03572,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12)C1CCCO1,DKFADSUHEYGVFB-UHFFFAOYSA-N,5,1,0.374,78,753,425.449,2.244,5,0.522,0.61,1.0,0.13286443698170106,0.13105681584538414,0.034944486327187996,0.10499623055308066,0.10096549242683847
EOS-5-03573,CCc1nc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1ccc(Cl)cn1,TXFLPIGKGJUMRY-UHFFFAOYSA-N,5,1,0.314,78,878,449.946,3.733,5,0.479,0.83,0.996,0.11635597285998218,0.056670207662257555,0.033633746830237815,0.13862141045850182,0.08632033445274484
EOS-5-03574,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1cncs1,UZNSZLSXGZGPLW-UHFFFAOYSA-N,5,1,0.362,5,741,464.595,3.954,5,0.407,0.71,1.0,0.1519601123980536,0.015231992324035364,0.03902234253992187,0.15880508532657117,0.0912548831471455
EOS-5-03576,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)c(F)c4)n23)cc1,GHAOZGNPXQSASQ-UHFFFAOYSA-N,5,1,0.43,0,21,444.47,3.322,5,0.52,0.9,1.0,0.09826262764717977,0.10157802755123022,0.010408813652251388,0.05930025358097457,0.06738743060790899
EOS-5-03577,OCc1cc(-c2nnc3cncc(OCCc4ncccc4F)n23)ccc1Cl,HVBZGLHYTDVLRW-UHFFFAOYSA-N,5,1,0.549,90,400,399.813,3.093,4,0.536,0.76,1.0,0.8893067644438353,0.920361866904256,0.7854156671921048,0.8084606949489411,0.8508862483722843
EOS-5-03578,O=C(NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3Cl)n12)C1CCC1,SUYFCQNJRHFZHO-UHFFFAOYSA-N,5,1,0.393,78,634,425.905,3.38,5,0.492,0.76,1.0,0.11902028647796586,0.15348502501542047,0.006716469056267562,0.048240353642656435,0.08186553354807757
EOS-5-03579,N#Cc1cncc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c1,BEBZGQBSSVFBTL-UHFFFAOYSA-N,5,1,0.516,62,504,435.422,4.116,5,0.455,0.87,1.0,0.07962956617092729,0.1860222054691248,0.8270509218011103,0.7933315057227058,0.471508549790967
EOS-5-03580,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5ncsn5)cc4F)n23)CC1,DDGYAPWAJHFHTR-UHFFFAOYSA-N,5,1,0.343,78,741,467.574,4.134,5,0.417,0.7,1.0,0.11059043245836475,0.11137858954149818,0.026600301555753547,0.18569666232609142,0.10856649647042697
EOS-5-03581,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5ncsn5)c(F)c4)n23)C1,SLMUEGQEEKWRQA-UHFFFAOYSA-N,5,1,0.344,78,830,419.489,3.34,5,0.5,0.58,1.0,0.19099102186279213,0.1243060790898499,0.26334726886436843,0.44619971215132614,0.25621102049208416
EOS-5-03582,COc1cc(-c2nnc3cncc(CNCC4CC4c4ccccn4)n23)ccc1-c1ccsn1,OEBZGXFRJJAGJM-UHFFFAOYSA-N,5,1,0.33,14,257,469.574,4.212,6,0.364,0.62,1.0,0.13807312727023507,0.060465355356041396,0.4368703310259749,0.3799688163936673,0.25384440751147963
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EOS-5-03584,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cn1,PNLWWLZDSQZBNE-UHFFFAOYSA-N,5,1,0.354,0,21,431.431,2.327,5,0.53,0.89,0.999,0.10822596120896442,0.12058803371941608,0.005345761085600712,0.022513878418203,0.06416840860804605
EOS-5-03585,Fc1cc(-c2ncc(Cl)nn2)ccc1-c1nnc2cncc(CNC3CCC3)n12,HQENSGXGDMMUJZ-UHFFFAOYSA-N,5,1,0.359,78,830,410.844,3.078,5,0.54,0.87,1.0,0.32237338085120965,0.30071619491467344,0.07405249811527655,0.30015934480159,0.24932535467068742
EOS-5-03587,COc1cc(-c2nnc3cncc(CNC4CCC(C(C)N)CO4)n23)ccc1-c1cscn1,CRXLCIMXODDJBN-UHFFFAOYSA-N,5,1,0.33,5,743,465.583,3.113,5,0.428,0.55,0.998,0.1657442944280721,0.007470358440134329,0.22061544787882942,0.22906243574806387,0.15572313412377492
EOS-5-03588,COc1cc(-c2nnc3cncc(CN(C)Cc4ccc(Cl)c(F)c4)n23)ccc1-c1nccs1,NCZQNQIJOOBFOK-UHFFFAOYSA-N,5,1,0.438,14,257,494.983,5.348,5,0.304,0.82,1.0,0.5076502638612843,0.5655712425467754,0.7384175176478651,0.6872301418682749,0.6247172914810499
EOS-5-03589,CNC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)CC1,HSQPCJJRXRTTRU-UHFFFAOYSA-N,5,1,0.343,5,741,477.594,3.318,5,0.421,0.75,1.0,0.21565519840997877,0.016671235693235555,0.015608937015968749,0.03928791720923857,0.07180582208210541
EOS-5-03590,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCO4)n23)ccc1-c1cscn1,GUPFMSADVHXVQH-UHFFFAOYSA-N,5,1,0.37,5,966,436.497,2.719,5,0.496,0.6,1.0,0.16000445480090467,0.008224247824001097,0.033642313755054484,0.04418819820437256,0.0615148036460832
EOS-5-03592,CNC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsn5)c(OC)c4)n23)CC1,SPJRVBAIRCZCAO-UHFFFAOYSA-N,5,1,0.337,5,741,478.582,2.713,5,0.416,0.61,1.0,0.2268007675964636,0.015240559248852032,0.009098074155301212,0.020894729627852784,0.0680085326571174
EOS-5-03593,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cn4)n23)c(F)c1,LSNUUTANVGXFKB-UHFFFAOYSA-N,5,1,0.414,62,504,485.454,3.743,5,0.392,0.9,1.0,0.20757658830786102,0.32116544445205947,0.6566033856486876,0.5387396340209718,0.43102126310739497
EOS-5-03594,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(CNCc3ccc(-n4ccnc4)nn3)n12,AQHFOWVRZLHUPM-UHFFFAOYSA-N,5,1,0.291,60,84,479.483,2.653,6,0.368,0.58,0.987,0.16001302172572132,0.15721163731067095,0.33360461928586116,0.3316427935028442,0.24561801795627441
EOS-5-03595,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)nc4)n23)c(F)c1,DVDFPEIGCNMULR-UHFFFAOYSA-N,5,1,0.424,62,504,485.454,3.743,5,0.392,0.86,1.0,0.2210951956685628,0.2750068535398533,0.6390925913234186,0.5188900692207525,0.4135211774381468
EOS-5-03596,COc1cc(-c2nnc3cncc(CNC4CCCOC4OC)n23)ccc1-c1nccs1,ZFSIQOTZQHMVED-UHFFFAOYSA-N,5,1,0.333,5,743,452.54,3.165,5,0.457,0.58,1.0,0.16833150572270578,0.002921321362483723,0.24558803371941607,0.20255637036529367,0.1548493077924748
EOS-5-03598,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1ccsn1,YRIDSDKSNSGOKE-UHFFFAOYSA-N,5,1,0.354,5,741,464.595,3.954,5,0.407,0.72,1.0,0.157520046604071,0.008892467959701186,0.033650880679871154,0.14598039887601946,0.0865109485299157
EOS-5-03600,COc1cc(-c2nnc3cncc(CNC(=O)Cc4ccc(F)c(F)c4)n23)ccc1-c1cnsn1,XDMIZKUZCQUNLP-UHFFFAOYSA-N,5,1,0.439,14,257,493.499,3.456,5,0.37,0.66,1.0,0.4751987526557467,0.397411075320403,0.537908642313755,0.4619971215132616,0.46812889795079154
EOS-5-03602,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)ccc1-c1nccs1,VRFVXBMWYUXECR-UHFFFAOYSA-N,5,1,0.396,5,966,420.498,3.34,5,0.514,0.93,1.0,0.21566376533479542,0.04560174079912275,0.010417380577068055,0.021691453635802892,0.07334358508669728
EOS-5-03604,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cnc(-c2cncs2)cn1,OQCJKPRSDNIZNU-UHFFFAOYSA-N,5,1,0.357,5,172,470.562,4.023,6,0.38,0.65,1.0,0.15752861352888767,0.024441436501953257,0.067541635254609,0.1211962853813995,0.09267699266671235
EOS-5-03605,NC(=O)c1ccc(-c2nnc3cncc(-c4cncc(-c5cncs5)n4)n23)cc1F,HNLJTNRWORUGHK-UHFFFAOYSA-N,5,1,0.361,74,155,418.417,2.61,5,0.475,0.66,1.0,0.16290864231375504,0.2239993831814132,0.3040487286683572,0.3032520046604071,0.24855218970598314
EOS-5-03606,Fc1ccnc(COc2cncc3nnc(-c4ccnc(-c5cscn5)c4)n23)c1,GTGWXNGZXZJECN-UHFFFAOYSA-N,5,1,0.623,24,912,405.418,3.423,5,0.442,0.63,1.0,0.494842711260366,0.514777945308752,0.4584932492632445,0.4428928791720924,0.4777516962511137
EOS-5-03607,COc1cc(-c2nnc3cncc(CNCC(C)C4CC4)n23)ccc1-c1cscn1,RYPRECNXUCKFBL-UHFFFAOYSA-N,5,1,0.368,5,743,420.542,4.059,5,0.463,0.63,1.0,0.22951648276334727,0.019875265574669315,0.18281817558769103,0.21719724487697897,0.16235179220067164
EOS-5-03608,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)ccc1-c1ccsn1,QCODSTKJJKNXJG-UHFFFAOYSA-N,5,1,0.396,5,966,420.498,3.34,5,0.514,0.87,1.0,0.21296518401754505,0.04913131382358989,0.01364711123295182,0.03378795147693784,0.07738289013775615
EOS-5-03610,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)n23)cc1F,FSFWXVDYPVFMEL-UHFFFAOYSA-N,5,1,0.383,0,901,480.45,3.568,5,0.481,0.81,1.0,0.16291720923857173,0.177558083750257,0.23858885614419847,0.43038516893975737,0.25236232951819615
EOS-5-03611,COc1cc(-c2nnc3cncc(CNC4CCC(C)CC4)n23)ccc1-c1cncnc1,ZMEJOYOTSMHWIS-UHFFFAOYSA-N,5,1,0.347,5,741,429.528,3.925,5,0.497,0.8,1.0,0.1852768830100747,0.0062024535672674935,0.08286786375162772,0.1857052292509081,0.11501310739496949
EOS-5-03612,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnc5)ncn4)n23)ccc1-c1ncco1,UVZQFJWUVFEGGQ-UHFFFAOYSA-N,5,1,0.298,60,663,481.48,2.115,6,0.341,0.62,1.0,0.22680933452128024,0.07554314303337674,0.13573435679528476,0.07070283051195943,0.1271974162154753
EOS-5-03613,COCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)CC1,PUTYPYDWCBVDJW-UHFFFAOYSA-N,5,1,0.353,5,741,464.595,4.218,5,0.418,0.78,1.0,0.16834007264752243,0.0051658556644506885,0.05584778287985745,0.15601226783633748,0.09634149475704201
EOS-5-03614,COc1cc(-c2nnc3cncc(CNC4CCC(C(=O)O)C4)n23)ccc1-c1ccsn1,BLYPVDKMCMJAFA-UHFFFAOYSA-N,5,1,0.32,5,743,450.524,3.266,5,0.441,0.62,1.0,0.14613460352271948,0.008232814748817764,0.06351518059077514,0.09672058118017957,0.07865079501062298
EOS-5-03615,COc1cc(-c2nnc3cncc(CNCC4(OC)CCCC4)n23)ccc1-c1ccsn1,VKJOOAUNMJMHHR-UHFFFAOYSA-N,5,1,0.347,5,743,450.568,3.972,5,0.435,0.61,1.0,0.14351312452881915,0.009732026591734631,0.016328558700568842,0.08895894729627853,0.06463316427935029
EOS-5-03616,Cn1cnnc1-c1ccc(-c2nnc3cncc(CNCC4CC4(F)F)n23)c(F)c1,MCNIKSBIFBNUBO-UHFFFAOYSA-N,5,1,0.351,78,75,414.395,2.471,5,0.522,0.63,1.0,0.2047837708176273,0.33022068398327736,0.6452093756425193,0.6872387087930917,0.4668631348091289
EOS-5-03617,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ncncc1Cl,MBPGMIBMBNBSBC-UHFFFAOYSA-N,5,1,0.326,78,830,409.856,3.683,5,0.541,0.86,0.999,0.3536769241313138,0.2957987800699061,0.23140977314783084,0.5356469741621548,0.35413311287780136
EOS-5-03618,COc1cc(-c2nnc3cncc(CCC4CC4)n23)ccc1-c1cnc(Cl)cn1,NPXSYWXVNCLOMY-UHFFFAOYSA-N,5,1,0.415,5,743,406.877,4.253,5,0.476,0.82,1.0,0.4395860461928586,0.4253820848468234,0.14191110958810224,0.3443646768555959,0.33781097937084503
EOS-5-03619,CCc1nc(-c2nnc3cncc(CNC(=O)C(C)C)n23)ccc1-c1ncc(CO)cn1,VHCYEQZLFGLVRN-UHFFFAOYSA-N,5,1,0.315,78,878,432.488,1.97,4,0.453,0.72,0.993,0.1328730039065177,0.041909396203138924,0.019729627852785963,0.00430059625796724,0.049703156055102456
EOS-5-03620,COc1cc(-c2nnc3cncc(CCc4ccccn4)n23)ccc1-c1nccs1,WRJRWRINPPAPIF-UHFFFAOYSA-N,5,1,0.417,14,257,414.494,4.104,5,0.416,0.75,1.0,0.28332533753683775,0.1142742101295319,0.2633558357891851,0.20839044616544444,0.2173364574052498
EOS-5-03621,Fc1cc(-c2nnc(Cl)s2)ccc1-c1nnc2cncc(CNC3CCC3)n12,XBCNJHAAEHPFCS-UHFFFAOYSA-N,5,1,0.354,78,830,415.885,3.744,5,0.534,0.83,1.0,0.21033513809882803,0.20390994448632718,0.0635237475155918,0.2878743746144884,0.19141080117880888
EOS-5-03622,COc1cc(-c2nnc3cncc(CNCCc4ccccn4)n23)ccc1-c1nccs1,OCLFTTASOPBYTP-UHFFFAOYSA-N,5,1,0.347,14,257,443.536,3.651,5,0.366,0.73,1.0,0.13808169419505176,0.012464875608251663,0.17641011582482352,0.11660441367966555,0.11089027482694813
EOS-5-03623,O=C(c1ccc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1)N1CCC(O)CC1,VPHVETBOXDBEAW-UHFFFAOYSA-N,5,1,0.371,78,345,449.902,2.422,5,0.476,0.78,0.932,0.07538893838667672,0.15349359194023712,0.009106641080117881,0.07661400863546021,0.07865079501062298
EOS-5-03624,O=C(NCc1cncc2nnc(-c3ccc(-c4ncon4)cc3F)n12)C(F)(F)F,XZYMBEWCGZHRFR-UHFFFAOYSA-N,5,1,0.452,68,233,407.287,2.159,4,0.516,0.76,1.0,0.4212528270851895,0.41653245151120555,0.7786392296621205,0.6753820848468234,0.5729516482763347
EOS-5-03625,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)cc1,GNAJHRQQEWNPHX-UHFFFAOYSA-N,5,1,0.528,83,504,493.876,6.383,5,0.315,0.89,1.0,0.4011890891645535,0.652388458638887,0.992315468439449,0.9864214241655815,0.7580786101021177
EOS-5-03626,COc1cc(-c2nnc3cncc(CNC4CCCC4O)n23)ccc1-c1cscn1,OONULFXLOQQJOX-UHFFFAOYSA-N,5,1,0.366,5,743,422.514,2.926,5,0.493,0.58,1.0,0.21297375094236173,0.013852717428551847,0.20671989582619424,0.2492032759920499,0.17068741004728943
EOS-5-03627,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCO4)n23)ccc1-c1cccnc1,HQEKRNKDWQMSJC-UHFFFAOYSA-N,5,1,0.383,5,966,430.468,2.657,5,0.502,0.81,1.0,0.17097011856623948,0.008241381673634432,0.08043485710369405,0.10714652868206428,0.09169822150640808
EOS-5-03629,O=C(NCc1cncc2nnc(-c3ccc(-c4nncs4)cc3F)n12)C1CCOC1,RCRBFOSKXUQSFV-UHFFFAOYSA-N,5,1,0.374,78,753,425.449,2.102,5,0.522,0.63,1.0,0.14614317044753616,0.08249091905969433,0.025632239051470083,0.07469501747652663,0.0822403365088068
EOS-5-03630,COC(C)C(=O)NCc1cncc2nnc(-c3ccc(-c4ccsn4)nc3F)n12,ZXJVBFBSMNVGHW-UHFFFAOYSA-N,5,1,0.376,78,634,413.438,2.1,4,0.482,0.54,1.0,0.2487235282023165,0.2595092865465013,0.1241775752175999,0.0747035844013433,0.17677849359194023
EOS-5-03631,COc1cc(-c2nnc3cncc(CNC4CCC(C)CC4)n23)ccc1-c1ccsn1,JMOMCDOGEKUOIB-UHFFFAOYSA-N,5,1,0.351,5,741,434.569,4.592,5,0.478,0.76,1.0,0.160021588650538,0.007478925364950997,0.05016791172640669,0.14102871633198547,0.08967428551847029
EOS-5-03632,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCOCC5)n34)cc2F)cs1,NMZVPWSKPDYQSW-UHFFFAOYSA-N,5,1,0.375,78,830,424.505,3.631,5,0.527,0.89,1.0,0.15196867932287025,0.08590055513672812,0.08783668014529504,0.2146100335823453,0.13507898704680968
EOS-5-03633,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1cnsc1,YGEZCJCPSAXILR-UHFFFAOYSA-N,5,1,0.362,5,741,464.595,3.954,5,0.407,0.68,1.0,0.1492443972311699,0.010657254471934755,0.04832602289082311,0.18571379617572475,0.09848536769241312
EOS-5-03635,c1cc(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6cncs6)nc5)n34)on2)ccn1,FSTNGABYOSPNRV-UHFFFAOYSA-N,5,1,0.327,60,723,467.518,3.65,6,0.375,0.68,1.0,0.1105989993831814,0.09199163868137893,0.19604550750462613,0.17744671372764032,0.1440207148242067
EOS-5-03636,COc1cc(-c2nnc3cncc(CNC4CCC(C(N)=O)CC4)n23)ccc1-c1ccsn1,YXFNBEJZYBIXJG-UHFFFAOYSA-N,5,1,0.35,5,741,463.567,3.057,5,0.432,0.72,1.0,0.1435216914536358,0.013861284353368515,0.009886231238434651,0.037951476937838395,0.05130517099581934
EOS-5-03637,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCN4)n23)ccc1-c1nccs1,INQJCCGMIPMADB-UHFFFAOYSA-N,5,1,0.367,5,966,435.513,2.292,5,0.479,0.69,1.0,0.14615173737235282,0.01247344253306833,0.012584812555685011,0.013698512781851826,0.0462271263107395
EOS-5-03638,COc1cc(-c2nnc3cncc(CNC4CCCCCC4)n23)ccc1-c1nccs1,CKUFDAXHIUZAPY-UHFFFAOYSA-N,5,1,0.367,5,741,434.569,4.736,5,0.442,0.9,1.0,0.15753718045370435,0.0082499485984511,0.004463367829483929,0.031629086423137553,0.05046989582619423
EOS-5-03639,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1csc(-c2ccccn2)n1,RHKMSWFYOXZSIX-UHFFFAOYSA-N,5,1,0.333,52,257,469.574,4.628,6,0.372,0.82,1.0,0.1380902611198684,0.041917963127955586,0.06543417174970872,0.12346652045781646,0.0922272291138373
EOS-5-03640,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)nc1,XSNMTBARDIOEDV-UHFFFAOYSA-N,5,1,0.495,62,504,451.877,4.631,5,0.426,0.89,1.0,0.06377218833527518,0.20391851141114387,0.7957302446713728,0.7978205743266397,0.4653103796861079
EOS-5-03641,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)n23)c(F)n1,BTLVQUUGIZWDNP-UHFFFAOYSA-N,5,1,0.406,62,504,485.454,3.743,5,0.367,0.85,1.0,0.204792337742444,0.3007247618394901,0.5611935439654582,0.45557192790076073,0.38057064286203823
EOS-5-03642,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1nnco1,KJONFVKJBZQCMP-UHFFFAOYSA-N,5,1,0.304,60,663,481.48,2.115,6,0.341,0.75,0.995,0.21852511822356246,0.082499485984511,0.10734356795284765,0.05930882050579124,0.11691924816667809
EOS-5-03643,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCCCC5)n34)c(F)c2)cs1,JBOAKFIAIWMOTK-UHFFFAOYSA-N,5,1,0.315,78,830,422.533,4.785,5,0.501,0.86,1.0,0.14353025837845246,0.1310653827702008,0.022548146117469674,0.15881365225138785,0.1139893598793777
EOS-5-03644,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCC4)n23)ccc1-c1cccnn1,MGRVVKLLXMICAN-UHFFFAOYSA-N,5,1,0.389,5,966,429.484,3.063,5,0.502,0.86,1.0,0.16003015557535466,0.0152491261736687,0.008609759440751147,0.025932081420053456,0.05245528065245699
EOS-5-03645,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(N)=O)n34)c(F)c2)cs1,TVTBUVPYQVQZMJ-UHFFFAOYSA-N,5,1,0.412,78,753,411.422,1.464,4,0.489,0.85,1.0,0.3176787060516757,0.22400795010622987,0.03630662737303817,0.023353437050236448,0.15033668014529503
EOS-5-03646,Fc1cncnc1COc1cncc2nnc(-c3ccnc(-c4csnn4)c3)n12,OMJXYYUFVBTDCS-UHFFFAOYSA-N,5,1,0.477,7,486,407.394,2.213,5,0.432,0.62,0.998,0.40526694537728736,0.4298968542252073,0.16975361524227264,0.18858371598930848,0.29837528270851893
EOS-5-03647,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1cocn1,AJJDDNVWQYFEBY-UHFFFAOYSA-N,5,1,0.307,60,663,480.492,2.72,6,0.346,0.67,1.0,0.20480090466726064,0.07900418065931053,0.18610787471729148,0.11423994243026524,0.14603822561853197
EOS-5-03648,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCOCC5)n34)c(F)c2)cs1,BXPWHDMPBPMGLP-UHFFFAOYSA-N,5,1,0.343,78,830,424.505,3.631,5,0.527,0.87,1.0,0.14616030429716947,0.0920002056061956,0.08542080734699473,0.20839901309026113,0.13299508258515522
EOS-5-03649,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)ccc1-c1ncsn1,HPSUZSPTDOJGJS-UHFFFAOYSA-N,5,1,0.404,5,966,421.486,2.735,5,0.51,0.84,1.0,0.19921526968679323,0.03827702008087177,0.005354328010417381,0.009980467411417997,0.06320677129737509
EOS-5-03650,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCO4)n23)ccc1-c1cncs1,BTWRXGDHTKLQER-UHFFFAOYSA-N,5,1,0.377,5,966,436.497,2.719,5,0.496,0.62,1.0,0.14065177164005208,0.012482009457884998,0.03631519429785484,0.0482489205674731,0.059424473990816254
EOS-5-03651,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5nccn5)nn4)n23)ccc1-c1ncon1,WEEFNWVPYMNVGP-UHFFFAOYSA-N,5,1,0.316,60,84,482.468,1.51,6,0.333,0.6,1.0,0.23215509560688094,0.08250805290932767,0.03495305325200466,0.01817901446096909,0.09194880405729558
EOS-5-03652,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1ncco1,PJTMIJIJHWBHQG-UHFFFAOYSA-N,5,1,0.296,60,663,481.48,2.115,6,0.341,0.67,1.0,0.22396511548214654,0.06453464464395861,0.11276643136179837,0.05931738743060791,0.11514589472962786
EOS-5-03653,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3Cl)n12,NYAUTYDUFAAMRO-UHFFFAOYSA-N,5,1,0.423,78,753,415.866,2.226,4,0.514,0.83,1.0,0.2129823178671784,0.1816873415118909,0.0854293742718114,0.09672914810499623,0.14420704543896923
EOS-5-03654,O=C(COCCO)NCc1cncc2nnc(-c3ccc(-c4ccsn4)nc3F)n12,METLHDNCASUHIA-UHFFFAOYSA-N,5,1,0.362,78,634,429.437,1.074,4,0.315,0.65,1.0,0.13558871907340142,0.04913988074840655,0.046783976423822905,0.040461585909122064,0.06799354053868824
EOS-5-03655,COCCc1nc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1-c1cscn1,BTEHPUXZMGAVRN-UHFFFAOYSA-N,5,1,0.423,49,578,493.98,4.169,5,0.282,0.64,0.953,0.4604465081214447,0.4739394147076965,0.2492546775409499,0.26140257693098484,0.36126079432526903
EOS-5-03656,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)cc4)n23)cc1F,ZCRQTIGEMTYLKD-UHFFFAOYSA-N,5,1,0.406,0,901,416.416,2.542,5,0.55,0.92,1.0,0.20758515523267768,0.16485333424713866,0.040444452059488725,0.11661298060448222,0.13237398053594682
EOS-5-03657,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC5)c(F)c4)n23)cc1,SJJCYOAMVVKYMV-UHFFFAOYSA-N,5,1,0.444,0,21,416.416,2.542,5,0.55,0.91,1.0,0.1992238366116099,0.18603077239394147,0.040453018984305394,0.1142485093550819,0.13498903433623466
EOS-5-03658,CCc1nc(-c2nnc3cncc(CCCOC)n23)ccc1-c1ncc(-c2ccc(C#N)nc2)s1,JCUMRBQIOIYPKI-UHFFFAOYSA-N,5,1,0.287,52,690,482.573,4.385,5,0.299,0.62,0.009,0.1935268316085258,0.1535021588650538,0.09243711877184566,0.0967377150298129,0.13405095606880954
EOS-5-03659,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3cc(-c4ccncc4)n[nH]3)n12,SRWSQUQDCVAZDU-UHFFFAOYSA-N,5,1,0.315,60,84,484.524,3.524,6,0.353,0.61,1.0,0.21034370502364472,0.20392707833596052,0.38213624837228427,0.3896323075868686,0.2965098348296895
EOS-5-03660,COc1cc(-c2nnc3cncc(CNC4CCC(C(=O)O)C4)n23)ccc1-c1nccs1,YHSDYWKBULPITC-UHFFFAOYSA-N,5,1,0.32,5,743,450.524,3.266,5,0.441,0.62,1.0,0.13809882804468507,0.008258515523267769,0.048334589815639775,0.0707113974367761,0.06635083270509218
EOS-5-03661,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(C)(C)CO)n34)cc2F)n(C)n1,WILMVBBXXSCAQP-UHFFFAOYSA-N,5,1,0.364,78,75,410.457,1.895,4,0.5,0.67,1.0,0.32502056061956003,0.2853985333424714,0.1995408128298266,0.10715509560688095,0.22927875059968475
EOS-5-03662,COc1cc(-c2nnc3cncc(CNC(=O)CC4CC4)n23)ccc1-c1cscn1,SQVKWTZUDZZHJS-UHFFFAOYSA-N,5,1,0.392,5,966,420.498,3.34,5,0.493,0.87,1.0,0.19923240353642657,0.04914844767322322,0.026608868480570213,0.04965389623740662,0.08116090398190666
EOS-5-03664,Fc1ccnc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)c1,DRGDSLUSOLHDLL-UHFFFAOYSA-N,5,1,0.554,2,422,405.418,3.423,5,0.442,0.71,1.0,0.48260914262216437,0.5100490028099514,0.42922863408950723,0.427326776780207,0.4623033890754575
EOS-5-03665,CNC(=O)c1ccc(-c2nnc3cncc(-c4cccc(-n5ccc(C#N)n5)n4)n23)c(F)c1F,ZEOJEJGPAGLYLF-UHFFFAOYSA-N,5,1,0.315,74,26,457.404,2.548,5,0.439,0.7,0.708,0.06547700637379206,0.18169590843670755,0.5411812075937221,0.47725481461174696,0.31640223425399217
EOS-5-03666,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)n1,OODJCQMCIFXXFC-UHFFFAOYSA-N,5,1,0.512,2,422,405.418,3.423,5,0.414,0.76,1.0,0.489993831814132,0.48734665204578165,0.39688849290658623,0.379977383318484,0.43855159002124594
EOS-5-03667,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-c1ncco1,QSKAERISKXRKEO-UHFFFAOYSA-N,5,1,0.301,60,84,480.492,2.72,6,0.346,0.62,1.0,0.20187958330477693,0.07201357000890961,0.16032143101912139,0.09092934000411212,0.13128598108423
EOS-5-03668,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(COc3cccnn3)n12,OHINLMNJVJFFAF-UHFFFAOYSA-N,5,1,0.374,72,487,406.406,2.818,5,0.439,0.69,1.0,0.4258618326365568,0.4968302378178329,0.3368857514906449,0.3507556027688301,0.4025833561784662
EOS-5-03669,COc1cc(-c2nnc3cncc(CNC(=O)Cc4c(F)cccc4F)n23)ccc1-c1cncs1,RSNKAVLPGSMCNR-UHFFFAOYSA-N,5,1,0.451,14,257,492.511,4.061,5,0.368,0.75,1.0,0.40984168322938797,0.3880645603454184,0.6182663970940991,0.5425347817147557,0.4896768555959153
EOS-5-03670,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)nc1,DLWTYILMNJELGL-UHFFFAOYSA-N,5,1,0.479,62,504,483.919,4.119,5,0.388,0.9,1.0,0.18245836474539098,0.2494688506613666,0.510468782125968,0.42733534370502363,0.3424328353094373
EOS-5-03671,CCCN(Cc1cncc2nnc(-c3ccc(-c4cncs4)c(OC)c3)n12)CC1CC1,FLTAFSGUDHCLHG-UHFFFAOYSA-N,5,1,0.409,5,123,434.569,4.545,5,0.385,0.81,1.0,0.11902885340278253,0.041926530052772255,0.01633712562538551,0.0637893221849085,0.0602704578164622
EOS-5-03672,COc1cc(-c2nnc3cncc(COCC4CCOCC4)n23)ccc1-c1ncsn1,RFGPKSDIHCKPAC-UHFFFAOYSA-N,5,1,0.44,5,548,438.513,3.262,5,0.434,0.72,1.0,0.13011445411555067,0.015257693098485368,0.02255671304228634,0.0654427386745254,0.05834289973271195
EOS-5-03673,CCC(O)(CC(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12)C(F)F,URXWMOKNMWZEQQ-UHFFFAOYSA-N,5,1,0.389,5,966,488.52,3.336,4,0.371,0.67,1.0,0.3021383044342403,0.2393513124528819,0.5344904393119047,0.3767390857377836,0.3631797854842026
EOS-5-03674,Cn1ccnc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)cnn1,ZPTQLDRMKBCCJC-UHFFFAOYSA-N,5,1,0.438,13,251,406.356,3.052,5,0.453,0.7,1.0,0.432484065519841,0.482489205674731,0.544642245219656,0.5587691042423412,0.5045961551641422
EOS-5-03675,COc1cc(-c2nnc3cncc(CNCC4(O)CCC4)n23)ccc1-c1nccs1,JNJSLVJJCPXYCI-UHFFFAOYSA-N,5,1,0.374,5,743,422.514,2.928,5,0.473,0.74,1.0,0.20188815022959358,0.012490576382701665,0.024441436501953257,0.07851586594476047,0.07933400726475225
EOS-5-03676,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1cccnn1,FLUSPWFSMPJZLK-UHFFFAOYSA-N,5,1,0.354,5,741,459.554,3.288,5,0.413,0.75,1.0,0.14353882530326914,0.006887807552600918,0.03632376122267151,0.14598896580083615,0.08318483996984442
EOS-5-03677,COc1cc(-c2nnc3cncc(OCCc4cc(Cl)ncc4Cl)n23)ccc1-c1cscn1,QQFUWQPYZSZNNM-UHFFFAOYSA-N,5,1,0.505,35,777,499.383,5.247,5,0.283,0.63,1.0,0.8450757316153793,0.7986344321842231,0.7485607566307998,0.7255928311973134,0.7794659379069289
EOS-5-03678,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3ccc(Cl)c(Cl)n3)n12,LDUNHYVULFLMFV-UHFFFAOYSA-N,5,1,0.349,14,487,487.351,4.441,5,0.354,0.62,1.0,0.24058494962648208,0.31609382496059213,0.6507864436981701,0.7598091289150847,0.4918185868000823
EOS-5-03679,COCCC1(F)CCC(NCc2cncc3nnc(-c4ccc(-c5cnc(C)s5)cc4F)n23)C1,RWROXYRTQUKWGT-UHFFFAOYSA-N,5,1,0.304,78,830,484.576,4.749,5,0.389,0.46,0.989,0.21035227194846137,0.1947262010828593,0.2633644027140018,0.46496984442464534,0.28335318004249194
EOS-5-03680,COc1cc(-c2nnc3cncc(CNCc4ccnc(N(C)C)c4)n23)ccc1-c1cncs1,GNOOXSVGWAXCHU-UHFFFAOYSA-N,5,1,0.333,60,41,472.578,3.674,5,0.366,0.78,1.0,0.14925296415598657,0.03227160578438763,0.27843362346652045,0.0947930230964293,0.13868780412583098
EOS-5-03681,O=C(O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)C5)cc4)n23)cc1,IASJJXFQRQYMAZ-UHFFFAOYSA-N,5,1,0.412,0,901,431.427,3.341,5,0.532,0.94,1.0,0.15473579603865398,0.008901034884517853,0.1390240559248852,0.19948084435610994,0.12553543280104174
EOS-5-03682,COc1cc(-c2nnc3cncc(CNCC4CC4CCO)n23)ccc1-c1ccsn1,GRJXISIEXBEDOU-UHFFFAOYSA-N,5,1,0.354,5,743,436.541,3.032,5,0.416,0.54,1.0,0.14066033856486876,0.009740593516551299,0.26337296963881845,0.30016791172640667,0.1784854533616613
EOS-5-03683,CNCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsn5)c(OC)c4)n23)CC1,WKQBRNUQLKRWBF-UHFFFAOYSA-N,5,1,0.33,5,741,464.599,3.186,5,0.41,0.67,1.0,0.16575286135288878,0.003238297580700432,0.01634569255020218,0.06221300801864163,0.061887464875608256
EOS-5-03684,COc1cc(-c2nnc3cncc(CNC4CCOCC4OC)n23)ccc1-c1cscn1,XGTLLLWTFJWNMU-UHFFFAOYSA-N,5,1,0.346,5,743,452.54,2.817,5,0.457,0.58,1.0,0.1435473922280858,0.004351997806867247,0.3074497978205743,0.2522616681516003,0.17690271400178192
EOS-5-03685,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnc5)ncn4)n23)ccc1-c1nnco1,ZBQLCZPGWLMBDC-UHFFFAOYSA-N,5,1,0.295,60,644,482.468,1.51,6,0.333,0.67,1.0,0.2268179014460969,0.07555170995819341,0.09244568569666232,0.04691248029607292,0.11043194434925639
EOS-5-03686,COc1cc(-c2nnc3cncc(CNC4CCC(C(F)(F)F)CC4)n23)ccc1-c1cscn1,NXVNLNCDUKNRNZ-UHFFFAOYSA-N,5,1,0.367,5,741,488.539,5.134,5,0.405,0.74,0.999,0.32003461037625935,0.19027140017819202,0.6093053937358646,0.67539065177164,0.44875051401548893
EOS-5-03687,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)C1,HRFATWQYFFHJDO-UHFFFAOYSA-N,5,1,0.315,78,830,453.547,3.744,5,0.435,0.61,1.0,0.09345658282502912,0.07202213693372626,0.10212631073949695,0.3032605715852238,0.14271640052086904
EOS-5-03688,CN1CCN(C(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(N)=O)c(F)c5)n34)cc2)CC1,MYYRJEHGJPXQOL-UHFFFAOYSA-N,5,1,0.505,0,901,459.485,2.084,5,0.501,0.94,1.0,0.11358885614419847,0.02932458364745391,0.011633883901034885,0.03682064286203824,0.04784199163868138
EOS-5-03689,Fc1cccc(-c2ccc(-c3nnc4cncc(CNCc5cccc(-n6cncn6)n5)n34)cn2)n1,RLWYEVMHLCPTEE-UHFFFAOYSA-N,5,1,0.309,60,663,479.483,2.653,6,0.344,0.73,0.985,0.16003872250017134,0.12059660064423275,0.2067284627510109,0.1994894112809266,0.17171329929408538
EOS-5-03690,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsn5)c(OC)c4)n23)C1,HDPYKMUEDQFDNC-UHFFFAOYSA-N,5,1,0.347,5,741,431.525,3.21,5,0.469,0.6,1.0,0.160047289424988,0.005679871153450758,0.1892690699746419,0.2614111438558015,0.15410184360222054
EOS-5-03691,Clc1ccc(-c2nnc3cncc(CNCc4cc(-n5ccnn5)ncn4)n23)cc1,YWXJNVAMXNXKFI-UHFFFAOYSA-N,5,1,0.369,60,644,418.852,2.105,5,0.446,0.77,1.0,0.14616887122198616,0.2039356452607772,0.1697621821670893,0.24626482077993284,0.19153287985744638
EOS-5-03692,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)ccc1-c1cncs1,JZZGYVKMWUIITJ-UHFFFAOYSA-N,5,1,0.404,5,966,420.498,3.34,5,0.514,0.88,1.0,0.19353539853334248,0.05280652456994037,0.016354259475018847,0.03929648413405524,0.07549816667808923
EOS-5-03693,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)C1,CTCIIFDTVSMHHI-UHFFFAOYSA-N,5,1,0.354,5,741,430.537,3.815,5,0.469,0.63,1.0,0.16005585634980468,0.007487492289767665,0.29298882873003906,0.34437324378041256,0.201226355287506
EOS-5-03694,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1nccs1,BFTSDQYZPNIBIV-UHFFFAOYSA-N,5,1,0.354,5,741,464.595,3.954,5,0.407,0.8,1.0,0.14355595915290248,0.007496059214584333,0.025640805976286752,0.11425707627989856,0.07273747515591802
EOS-5-03696,CNC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsc5)c(OC)c4)n23)CC1,RHYMSBVHAHFYFN-UHFFFAOYSA-N,5,1,0.35,5,741,477.594,3.318,5,0.421,0.62,1.0,0.1964310191213762,0.016679802618052224,0.02064628880816942,0.05485401960112398,0.07215278253718045
EOS-5-03697,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cc1F,KWURMEDNHRMREE-UHFFFAOYSA-N,5,1,0.841,23,721,395.344,3.702,4,0.515,0.8,1.0,0.9969673086148996,0.9964532931258995,0.9796621204852306,0.9771691453635802,0.9875629668974024
EOS-5-03698,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)ccc1-c1ncco1,LZPKGHTZYQQRSK-UHFFFAOYSA-N,5,1,0.327,60,663,480.492,2.72,6,0.346,0.75,1.0,0.19643958604619285,0.06819272154067577,0.2135648687547118,0.11886608183126585,0.14926581454321158
EOS-5-03699,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)ccc1-c1ccsc1,BDSYOGIRXGDDFE-UHFFFAOYSA-N,5,1,0.404,5,966,419.51,3.945,5,0.512,0.83,1.0,0.20759372215749436,0.04915701459803989,0.03633232814748818,0.09674628195462956,0.09745733671441298
EOS-5-03701,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCO4)n23)ccc1-c1cnsc1,BIUCSUCYOIPIEB-UHFFFAOYSA-N,5,1,0.377,5,966,436.497,2.719,5,0.496,0.63,1.0,0.13810739496950175,0.008909601809334521,0.043365773421972446,0.0622215749434583,0.06315108628606676
EOS-5-03703,CCC1OCCC1NCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,YSAADTVNEFHZKI-UHFFFAOYSA-N,5,1,0.34,5,743,436.541,3.581,5,0.474,0.63,1.0,0.1461774381468028,0.006211020492084162,0.22391371393324652,0.1966451922417929,0.1432368412034816
EOS-5-03704,Cn1ncnc1-c1cc(-c2nnc3cncc(Oc4ccc(F)cc4F)n23)ncn1,QFXMHTJXEBLLQU-UHFFFAOYSA-N,5,1,0.4,44,971,407.344,2.447,5,0.447,0.72,0.997,0.4212613940100062,0.35455931738743063,0.340415324515112,0.3859656637653348,0.3755504249194709
EOS-5-03705,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5cscn5)c4)n23)n1,OCCNVWXHGREQMA-UHFFFAOYSA-N,5,1,0.512,2,422,405.418,3.423,5,0.414,0.67,1.0,0.482617709546981,0.4824977725995477,0.46909053526146255,0.44620827907614286,0.4701035741210335
EOS-5-03706,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(CNCC3CC3(F)F)n12,VVJUCLYGKHTFMD-UHFFFAOYSA-N,5,1,0.37,78,634,417.42,3.194,5,0.486,0.56,0.999,0.16006442327462134,0.22907100267288055,0.6357600575697347,0.6844887259269412,0.42734605236104445
EOS-5-03707,CCc1nc(-c2ccc(-c3nnc4cncc(CNC5CCCC5)n34)c(F)c2)cs1,HITAOGDAVHEWOR-UHFFFAOYSA-N,5,1,0.309,78,830,422.533,4.649,5,0.49,0.86,1.0,0.14066890548968541,0.11138715646631485,0.024450003426769926,0.13863854430813516,0.10378615242272635
EOS-5-03708,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)cc1F,GLQNCVINPBHUID-UHFFFAOYSA-N,5,1,0.394,0,21,444.47,3.322,5,0.52,0.92,1.0,0.08854773490507847,0.08251661983414434,0.010425947501884723,0.06223014186827496,0.06093011102734563
EOS-5-03710,COc1cc(-c2nnc3cncc(CNC4CCC(C(N)=O)CC4)n23)ccc1-c1cncs1,GKZKLUZQDCVEJA-UHFFFAOYSA-N,5,1,0.357,5,741,463.567,3.057,5,0.432,0.77,1.0,0.13012302104036735,0.015266260023302036,0.012087930916318278,0.042937427181139055,0.050103659790281675
EOS-5-03711,CCC#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)C1,XPPXRETYWPEUTH-UHFFFAOYSA-N,5,1,0.337,5,741,458.591,4.595,5,0.426,0.58,1.0,0.1328815708313344,0.008267082448084436,0.28227160578438765,0.30664450688780753,0.1825161914879035
EOS-5-03712,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)ccc1-c1nnco1,ITEXUUURVGWHEK-UHFFFAOYSA-N,5,1,0.29,60,84,481.48,2.115,6,0.341,0.65,1.0,0.21567233225961208,0.060473922280858065,0.10487629360564732,0.05627612912069083,0.10932466931670208
EOS-5-03713,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)CC1,HUUZUUZTMRONLS-UHFFFAOYSA-N,5,1,0.321,78,830,467.574,4.134,5,0.417,0.77,1.0,0.09827119457199644,0.09535844013432938,0.03760879994517168,0.22907100267288055,0.11507735933109452
EOS-5-03714,COc1cc(-c2nnc3cncc(CNCC4CC4(C)C)n23)ccc1-c1nccs1,SLHCVIVUOKZVSY-UHFFFAOYSA-N,5,1,0.358,5,743,420.542,4.059,5,0.486,0.59,1.0,0.18813823589884174,0.056678774587074224,0.26002330203550134,0.2462733877047495,0.18777842505654171
EOS-5-03715,COc1cc(-c2nnc3cncc(CNC4CCC(C(N)=O)CC4)n23)ccc1-c1cnsc1,CKDZWGGMPUAMHO-UHFFFAOYSA-N,5,1,0.357,5,741,463.567,3.057,5,0.432,0.65,1.0,0.130131587965184,0.012499143307518333,0.014383866767185251,0.05486258652594065,0.05296929614145706
EOS-5-03716,Cc1ccc(F)c(COc2cncc3nnc(-c4ccnc(-c5ncon5)c4)n23)n1,ZSEMRWVYEMXTBT-UHFFFAOYSA-N,5,1,0.494,7,420,404.365,2.658,5,0.436,0.7,1.0,0.5812315811116442,0.4430984853676924,0.24210986224384895,0.20840758001507778,0.36871187718456583
EOS-5-03717,CCCCNCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(F)c3)n12,WRBZKEHIXXMTHF-UHFFFAOYSA-N,5,1,0.346,78,75,411.872,3.931,4,0.464,0.83,1.0,0.2805496538962374,0.2393598793776986,0.22062401480364607,0.3281474881776438,0.2671702590638065
EOS-5-03718,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1ncc(C)cn1,LQUFSPLKZDAFBK-UHFFFAOYSA-N,5,1,0.347,5,741,473.581,3.596,5,0.399,0.75,1.0,0.17649578507299019,0.007504626139401001,0.02564937290110342,0.0909379069289288,0.07514692276060585
EOS-5-03719,COc1cc(-c2nnc3cncc(COCC4CCOCC4)n23)ccc1-c1nncs1,BMRSGNABHXRHKT-UHFFFAOYSA-N,5,1,0.43,5,548,438.513,3.262,5,0.434,0.69,1.0,0.1301401548900007,0.010665821396751422,0.024458570351586596,0.07071996436159277,0.05899612774998288
EOS-5-03720,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC(F)C5)cc4)n23)cc1F,DPIFAOMOIZOWHB-UHFFFAOYSA-N,5,1,0.375,0,901,476.487,3.531,5,0.487,0.87,1.0,0.1381159618943184,0.09839969844424645,0.10735213487766432,0.22566993352066342,0.14238443218422314
EOS-5-03721,CCC(C(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12)c1ccccc1,GHZGFPHTVDUKMH-UHFFFAOYSA-N,5,1,0.402,62,257,484.585,4.733,5,0.342,0.63,1.0,0.23786066753478172,0.12060516756904942,0.4041618120759372,0.2820917003632376,0.2611798368857515
EOS-5-03722,CCCc1nnc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(F)c2)s1,IVBMTKPUROYLRD-UHFFFAOYSA-N,5,1,0.318,78,830,423.521,4.044,5,0.483,0.8,0.999,0.12434891371393325,0.12780995133986703,0.008181413199917758,0.05487115345075732,0.07880285792611884
EOS-5-03723,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CC5)c(F)c4)n23)nc1,KDSPKEWUYCMCNG-UHFFFAOYSA-N,5,1,0.324,63,188,417.404,1.984,5,0.511,0.9,1.0,0.17650435199780687,0.16486190117195532,0.14486669864985266,0.1804108697142074,0.16666095538345557
EOS-5-03724,CCCCCC(=O)NCc1cncc2nnc(-c3ccc(-c4cncs4)c(OC)c3)n12,LHIMDYOYCWPOLB-UHFFFAOYSA-N,5,1,0.396,5,966,436.541,4.12,4,0.397,0.85,1.0,0.12435748063874992,0.01668836954286889,0.018821533822219176,0.013235898841751765,0.04327582071139744
EOS-5-03725,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(CNCc3cc(-n4nccn4)ncn3)n12,HYWVQIOJPCQKQX-UHFFFAOYSA-N,5,1,0.281,60,644,480.471,2.048,6,0.361,0.65,1.0,0.16007299019943802,0.13458638886985128,0.1510263175930368,0.16385957096840517,0.1523863169076828
EOS-5-03726,COc1cc(-c2nnc3cncc(CNCC4CC4(C)C)n23)ccc1-c1ccsn1,VMJPFDFDRMXSSK-UHFFFAOYSA-N,5,1,0.358,5,743,420.542,4.059,5,0.486,0.58,1.0,0.18528544993489138,0.05668734151189089,0.307458364745391,0.3001764786512234,0.21240190871084919
EOS-5-03727,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(CNCC3CC3(F)F)n12,VPZYTEPHPFSKIW-UHFFFAOYSA-N,5,1,0.37,78,634,417.42,3.194,5,0.486,0.56,0.999,0.15474436296347063,0.23936844630251525,0.5645774792680419,0.6232352134877664,0.3954813755054486
EOS-5-03728,CCCCN(CCC)Cc1cncc2nnc(-c3ccc(-c4cnsn4)c(OC)c3)n12,FMRLROMIQXUOSW-UHFFFAOYSA-N,5,1,0.404,5,123,437.573,4.331,4,0.365,0.71,1.0,0.11060756630799808,0.029333150572270577,0.008618326365567816,0.009295113426084573,0.03946353916798026
EOS-5-03729,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4ncc(F)cn4)nc3F)n12,FRZJFCJGMSBMGY-UHFFFAOYSA-N,5,1,0.379,68,585,412.36,1.184,4,0.469,0.69,1.0,0.2805582208210541,0.19473476800767597,0.08543794119662806,0.07270749091905969,0.15835960523610446
EOS-5-03730,COc1cc(-c2nnc3cncc(CNC4CCC(C(F)(F)F)CC4)n23)ccc1-c1cncs1,YAYPGSYWIBBHON-UHFFFAOYSA-N,5,1,0.375,5,741,488.539,5.134,5,0.405,0.68,1.0,0.30488828730039064,0.20394421218559386,0.6211877184565828,0.6899287231855253,0.4549872352820232
EOS-5-03731,COc1cc(-c2nnc3cncc(CNCC4CC4OC)n23)ccc1-c1cncs1,HYOWVSZVRDSVKS-UHFFFAOYSA-N,5,1,0.357,5,75,422.514,3.048,5,0.467,0.59,1.0,0.1547529298882873,0.07203070385854293,0.4292372010143239,0.34756870673702966,0.250897385374546
EOS-5-03732,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)ccc1-c1nnco1,WORHSZYADOBXCJ-UHFFFAOYSA-N,5,1,0.308,60,663,482.468,1.51,6,0.333,0.7,0.807,0.21853368514837915,0.07556027688301008,0.05762970324172435,0.031637653347954216,0.09584032965526694
EOS-5-03733,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3ccnc(-c4cnco4)c3)n12,LFHIOOMZZIRJSY-UHFFFAOYSA-N,5,1,0.294,60,84,485.508,3.789,6,0.36,0.61,1.0,0.21036083887327806,0.2290795695976972,0.42587039956137346,0.4079997943938044,0.3183276506065383
EOS-5-03734,CCc1nc(-c2nnc3cncc(CCC4CC4)n23)ccc1-c1cnc(-c2cnc(C)nn2)cn1,UYPIYNNCLPVNSJ-UHFFFAOYSA-N,5,1,0.288,33,878,464.537,3.709,6,0.355,0.6,0.517,0.08617469673086149,0.10158659447604688,0.005688438078267425,0.01770783359605236,0.05278939072030704
EOS-5-03735,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5)nc4)n23)c(F)c1F,VODRDOGTGONJPZ-UHFFFAOYSA-N,5,1,0.402,62,504,485.454,3.743,5,0.392,0.81,1.0,0.20189671715441027,0.24947741758618328,0.5840243986018778,0.4555804948255774,0.37274475704201215
EOS-5-03736,CCc1nc(-c2nnc3cncc(CCC4CCCCC4)n23)ccc1-c1ncc(C)cn1,XEBSOEQSEPJBTR-UHFFFAOYSA-N,5,1,0.327,78,878,427.556,5.027,5,0.429,0.77,0.018,0.1082345281337811,0.10159516140086354,0.0010365979028168048,0.007718799259817696,0.054646271674319784
EOS-5-03737,COc1cc(-c2nnc3cncc(CN(C)Cc4ccc(Cl)c(F)c4)n23)ccc1-c1cnsc1,XQARXNFNLQFLGW-UHFFFAOYSA-N,5,1,0.447,14,257,494.983,5.348,5,0.304,0.58,1.0,0.480141868274964,0.532931258995271,0.8234442464532932,0.7840535261462546,0.6551427249674457
EOS-5-03738,CCOCC(=O)NCc1cncc2nnc(-c3ccc(-c4cccnc4)c(OC)c3)n12,VTDBWULZECCWGS-UHFFFAOYSA-N,5,1,0.398,5,966,418.457,2.515,4,0.469,0.88,1.0,0.22952504968816392,0.024450003426769926,0.17641868274964018,0.09282263038859571,0.13080409156329242
EOS-5-03739,COc1cc(-c2nnc3cncc(CNC4CCNCC4O)n23)ccc1-c1ccsc1,ICMXORNYWXZGMC-UHFFFAOYSA-N,5,1,0.362,5,75,436.541,2.341,5,0.427,0.52,1.0,0.1406774724145021,0.005688438078267425,0.34420190528407923,0.32815605510246043,0.2046809677198273
EOS-5-03740,O=C(NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3-c3ncccn3)n12)C1CC1,YFBSRJZDORLVKG-UHFFFAOYSA-N,5,1,0.359,52,634,455.507,2.793,6,0.414,0.68,1.0,0.09122061544787884,0.06048248920567473,0.005988280446850798,0.01177095469810157,0.042365584949626486
EOS-5-03741,CN(Cc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)c1cnc(C#N)cn1,YKRFISKJOOHXQA-UHFFFAOYSA-N,5,1,0.333,85,60,445.447,2.142,5,0.37,0.6,1.0,0.062033102597491604,0.15722020423548763,0.08044342402851072,0.07471215132615996,0.09360222054691247
EOS-5-03742,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(CNCc3cc(-n4cncn4)cnn3)n12,HHZXTOOXIDOSIX-UHFFFAOYSA-N,5,1,0.286,60,84,480.471,2.048,6,0.361,0.66,1.0,0.15197724624768694,0.14558632033445273,0.22063258172846276,0.23468233842779795,0.1882196216846001
EOS-5-03743,COc1nnc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(F)c2)s1,KIGWABGFKAMSTR-UHFFFAOYSA-N,5,1,0.333,78,830,411.466,3.1,5,0.521,0.8,1.0,0.30214687135905693,0.20395277911041051,0.018830100747035845,0.07072853128640944,0.1489145706257282
EOS-5-03745,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1nnco1,FWKMHCCJQJGLEB-UHFFFAOYSA-N,5,1,0.293,60,663,482.468,1.51,6,0.333,0.66,0.981,0.2211037625933795,0.06454321156877527,0.07609142622164349,0.037960043862655064,0.09992461106161334
EOS-5-03746,COc1cc(-c2nnc3cncc(CNC4CCC(CN)CC4)n23)ccc1-c1ccsn1,PSABHKXDBDODHD-UHFFFAOYSA-N,5,1,0.343,5,741,449.584,3.531,5,0.445,0.73,1.0,0.14068603933931875,0.0032468645055170994,0.01883866767185251,0.09675484887944623,0.06488160509903365
EOS-5-03747,COc1cc(-c2nnc3cncc(CN(C)C4CCOCC4)n23)ccc1-c1cscn1,PDIZJWBSFXAGGU-UHFFFAOYSA-N,5,1,0.4,5,743,436.541,3.534,5,0.457,0.74,1.0,0.1190374203275992,0.01669693646768556,0.03761736686998835,0.08183983277362758,0.06379788910972517
EOS-5-03748,COc1cc(-c2nnc3cncc(CNC4CCC(C(N)=O)CC4)n23)ccc1-c1ncsn1,ZFWTZWFMSUAXKK-UHFFFAOYSA-N,5,1,0.357,5,741,464.555,2.452,5,0.426,0.66,1.0,0.12711603042971695,0.012507710232335,0.0042320608594338975,0.013244465766568432,0.039275066822013566
EOS-5-03749,COc1cc(-c2nnc3cncc(CNCCc4ccsc4)n23)ccc1-c1nccs1,JKIABKOIXXBRRQ-UHFFFAOYSA-N,5,1,0.366,14,257,448.577,4.317,5,0.356,0.82,1.0,0.12145329312589953,0.008918168734151188,0.23859742306901516,0.1665495853608389,0.13387961757247618
EOS-5-03750,COc1cc(-c2nnc3cncc(CNC(=O)C4CCOC4)n23)ccc1-c1cncs1,GDFLHXNIFQGCLQ-UHFFFAOYSA-N,5,1,0.417,5,966,436.497,2.576,5,0.495,0.59,1.0,0.1381245288191351,0.006219587416900829,0.03365944760468782,0.04419676512918923,0.055550082242478246
EOS-5-03751,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5cncs5)c(OC)c4)n23)C1,CKLGKQPQJVJAJI-UHFFFAOYSA-N,5,1,0.361,5,741,430.537,3.815,5,0.469,0.6,1.0,0.14926153108080323,0.008275649372901104,0.30746693167020767,0.3604961962853814,0.20637507710232333
EOS-5-03752,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1cocn1,BIQCSUKCLCYQPF-UHFFFAOYSA-N,5,1,0.296,60,663,481.48,2.115,6,0.341,0.62,1.0,0.20190528407922692,0.06820128846549242,0.13903262284970186,0.07852443286957714,0.12191590706599958
EOS-5-03753,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)n23)cc1,RSCUYVTWIJANAJ-UHFFFAOYSA-N,5,1,0.398,0,901,462.46,3.429,5,0.5,0.9,1.0,0.10064423274621342,0.049165581522856557,0.13904118977451854,0.2729850592831197,0.14045901583167708
EOS-5-03754,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1ncsn1,RELYNWNRVWIGIP-UHFFFAOYSA-N,5,1,0.362,5,741,465.583,3.349,5,0.408,0.64,1.0,0.13813309574395174,0.007513193064217668,0.01314166266876842,0.0707370982112261,0.05738126242204099
EOS-5-03755,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5nc(C)nn5C)c(F)c4)n23)CC1,TZSFIXUOHGPGBS-UHFFFAOYSA-N,5,1,0.356,78,741,478.576,3.719,5,0.412,0.7,1.0,0.13814166266876843,0.12061373449386609,0.012593379480501678,0.08356178466177781,0.0887276403262285
EOS-5-03756,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1ncco1,GKMMQRYWHWXFNP-UHFFFAOYSA-N,5,1,0.29,60,644,482.468,1.51,6,0.333,0.67,1.0,0.2239736824069632,0.05281509149475704,0.0654427386745254,0.03584401343293811,0.09451888150229593
EOS-5-03757,COc1cc(-c2nnc3cncc(CNCC4(O)CCC4)n23)ccc1-c1cnsc1,SURQZLIHQYDBGJ-UHFFFAOYSA-N,5,1,0.382,5,741,422.514,2.928,5,0.473,0.6,1.0,0.1793914056610239,0.018264683709135768,0.048343156740456444,0.14329895140840243,0.09732454937975463
EOS-5-03758,COCC1CCCN1Cc1cncc2nnc(-c3ccc(-c4ccsc4)c(OC)c3)n12,QQCFVIZZSYNWRN-UHFFFAOYSA-N,5,1,0.396,5,966,435.553,4.139,5,0.435,0.68,1.0,0.1006527996710301,0.05282365841957371,0.07838736207251046,0.20554622712631074,0.10935251182235625
EOS-5-03759,COc1cc(-c2nnc3cncc(CNC4CCC(C(N)=O)CC4)n23)ccc1-c1nccs1,UREJZVQUTNYNLV-UHFFFAOYSA-N,5,1,0.35,5,741,463.567,3.057,5,0.432,0.82,1.0,0.1271245973545336,0.009749160441367966,0.007735933109451031,0.025940648344870126,0.04263758481255568
EOS-5-03760,CCC1CC1CNCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,LAQXLXXIQKVWEF-UHFFFAOYSA-N,5,1,0.351,5,743,420.542,4.059,5,0.463,0.58,1.0,0.17651291892262352,0.05669590843670756,0.22392228085806318,0.23181241861421426,0.1722358817079021
EOS-5-03761,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cn(C)c(=O)cn1,CBLWHYDTVCJJQP-UHFFFAOYSA-N,5,1,0.34,5,741,417.473,2.203,5,0.513,0.82,1.0,0.22398224933177988,0.05283222534439038,0.039030909464738535,0.07074566513604276,0.09664776231923788
EOS-5-03762,Fc1cc(-c2nnc3cncc(CNCC4(F)CCC4)n23)ccc1-c1ncsn1,KVABUMASHCYRJW-UHFFFAOYSA-N,5,1,0.371,78,75,413.457,3.431,5,0.522,0.64,1.0,0.23517065314234803,0.2135905695291618,0.06545130559934206,0.30326913851004045,0.2043704166952231
EOS-5-03763,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCO4)n23)ccc1-c1ccsn1,ADKZUCDVVRTSRA-UHFFFAOYSA-N,5,1,0.37,5,966,436.497,2.719,5,0.496,0.62,1.0,0.13289013775615105,0.0075217599890343365,0.03108937015968748,0.042945994105955725,0.053611815502707154
EOS-5-03764,Fc1cc(-c2nnc3cncc(CN4CCCC4)n23)ccc1-c1ncc(Cl)cn1,BJARYOACURMFGO-UHFFFAOYSA-N,5,1,0.409,78,75,409.856,3.637,5,0.512,0.79,1.0,0.30725275854979095,0.345135700089096,0.015617503940785416,0.2115173737235282,0.21988083407580014
EOS-5-03765,COc1cc(-c2nnc3cncc(CNC(=O)C4CCOC4)n23)ccc1-c1cscn1,QSENWCYADUZOHZ-UHFFFAOYSA-N,5,1,0.408,5,966,436.497,2.576,5,0.495,0.58,1.0,0.1461860050716195,0.0035638407237338085,0.031097937084504146,0.040470152833938726,0.055329483928449046
EOS-5-03766,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-c1nnco1,CEMPOWZAMVERIL-UHFFFAOYSA-N,5,1,0.298,60,84,481.48,2.115,6,0.341,0.7,0.997,0.19924097046124323,0.06820985539030909,0.11003358234528134,0.06084230004797478,0.10958167706120212
EOS-5-03767,COc1cc(-c2nnc3cncc(CNC4CCc5c4nnn5C)n23)ccc1-c1ccsn1,GYJRXNHEEOGEOB-UHFFFAOYSA-N,5,1,0.314,5,743,459.539,2.829,6,0.413,0.59,1.0,0.09593242409704612,0.041935096977588925,0.014966417654718662,0.023362003975053114,0.0440489856761017
EOS-5-03768,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCOCC5)n34)cc2F)n1,LFIRLPWJWOGGRF-UHFFFAOYSA-N,5,1,0.364,78,830,420.452,2.359,5,0.525,0.82,1.0,0.157545747378521,0.09840826536906312,0.03229730655883764,0.10716366253169762,0.09885374545952985
EOS-5-03769,Clc1ccc(-c2nnc3cncc(Oc4ccc(-c5ccccc5)nn4)n23)cn1,LCPTZDHLLFUYNX-UHFFFAOYSA-N,5,1,0.376,72,700,401.817,4.089,5,0.419,0.76,1.0,0.6626944691933384,0.7775340963607703,0.5446508121444726,0.6084401343293812,0.6483298780069906
EOS-5-03770,COc1cc(-c2nnc3cncc(CNCc4ccc5nnn(C)c5c4)n23)ccc1-c1cncs1,PQLLJFUZZCJWOM-UHFFFAOYSA-N,5,1,0.321,60,149,483.561,3.495,6,0.368,0.7,1.0,0.1992495373860599,0.13829586731546845,0.2672452196559523,0.19128229730655882,0.1990182304160099
EOS-5-03771,COc1cc(-c2nnc3cncc(CCCCCn4ccnn4)n23)ccc1-c1ncsn1,DMWWZWOLCGIURJ-UHFFFAOYSA-N,5,1,0.394,5,172,447.528,3.323,5,0.317,0.61,1.0,0.09122918237269549,0.04561030772393942,0.008626893290384484,0.010845726817901446,0.03907802755123021
EOS-5-03772,c1nc2cc(CNCc3cncc4nnc(-c5ccc(-c6csnn6)cc5)n34)nnncn-2n1,KZAVOVIQCNJQTI-UHFFFAOYSA-N,5,1,0.314,78,75,469.498,2.289,6,0.398,0.54,0.789,0.11359742306901514,0.04561887464875608,0.009115208004934549,0.0033496676033171135,0.042920293331505724
EOS-5-03773,c1ncc(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6cncs6)cc5)n34)ncn2)cn1,QKUJRFPMQGJTAZ-UHFFFAOYSA-N,5,1,0.337,60,869,478.545,3.452,6,0.368,0.64,1.0,0.14356452607771913,0.10160372832568021,0.2633815365636351,0.2377321636625317,0.18657048865739154
EOS-5-03774,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5ccsn5)c(OC)c4)n23)C1,QMWBFMABXRDKCL-UHFFFAOYSA-N,5,1,0.354,5,741,430.537,3.815,5,0.469,0.65,1.0,0.14619457199643615,0.006896374477417586,0.2784421903913371,0.3443818107052293,0.19397873689260503
EOS-5-03775,CC1(O)CCC(Nc2cncc3nnc(-c4ccc(-c5nccs5)nc4F)n23)CC1,IQYMICHZOCMBIU-UHFFFAOYSA-N,5,1,0.347,78,634,425.493,3.554,5,0.482,0.55,1.0,0.11636453978479885,0.09200877253101226,0.026617435405386882,0.11662154752929889,0.08790307381262423
EOS-5-03776,COc1cc(-c2nnc3cncc(CNC4CCN(CCF)CC4)n23)ccc1-c1cncs1,NGHOHGKSKDWWBM-UHFFFAOYSA-N,5,1,0.363,5,123,467.574,3.447,5,0.425,0.78,1.0,0.10824309505859776,0.041943663902405594,0.010434514426701392,0.05784387636214105,0.054616287437461455
EOS-5-03777,COc1cc(-c2nnc3cncc(CNC(=O)CC4CC4)n23)ccc1-c1cncs1,PJZUZTHTQLYAQA-UHFFFAOYSA-N,5,1,0.404,5,966,420.498,3.34,5,0.493,0.89,1.0,0.1765214858474402,0.05284079226920704,0.028827702008087177,0.05487972037557398,0.0782674251250771
EOS-5-03778,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)cc1,MWJYQNNJMXIXOV-UHFFFAOYSA-N,5,1,0.453,0,21,412.428,3.705,5,0.512,0.91,1.0,0.23517922006716468,0.2908042629017888,0.0946902199986293,0.3671012953190323,0.24694374957165377
EOS-5-03779,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ncc(Cl)cn1,WKZPSHZZHSNFSC-UHFFFAOYSA-N,5,1,0.354,78,830,409.856,3.683,5,0.541,0.94,1.0,0.32759063806456035,0.27501542046467,0.16977074909190598,0.4555890617503941,0.30699146734288263
EOS-5-03781,CCc1nc(-c2nnc3cncc(CNCC4CC4COC)n23)ccc1-c1ncc(C)cn1,MPRSDDMLAOIWEI-UHFFFAOYSA-N,5,1,0.275,78,878,444.543,2.886,5,0.42,0.55,0.262,0.11904598725241587,0.008284216297717771,0.057638270166541015,0.06896374477417586,0.06348305462271263
EOS-5-03782,COC(=O)C(=O)NCc1cncc2nnc(-c3ccc(-c4cnsc4)nc3F)n12,ZCRGRYCVWWAWPB-UHFFFAOYSA-N,5,1,0.39,78,753,413.394,1.238,4,0.301,0.53,1.0,0.24312075937221575,0.1902799671030087,0.023516208621753135,0.008986704132684532,0.11647590980741553
EOS-5-03783,CNC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)c4)n23)CC1,ZILMLUXMOXWCPL-UHFFFAOYSA-N,5,1,0.343,5,741,477.594,3.318,5,0.421,0.77,1.0,0.18529401685970803,0.01251627715715167,0.011642450825851552,0.025949215269686795,0.058850490028099514
EOS-5-03784,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1-c1ccon1,MIHKHSCSQMFHGK-UHFFFAOYSA-N,5,1,0.314,60,84,480.492,2.72,6,0.346,0.72,1.0,0.1909995887876088,0.04562744157357275,0.14487526557466932,0.0967634158042629,0.11956642793502843
EOS-5-03785,Fc1cc(Br)ccc1-c1nnc2cncc(CNCc3cccc(-n4cnnn4)n3)n12,DNRKPRUSVIEKOG-UHFFFAOYSA-N,5,1,0.36,22,416,481.293,2.353,5,0.394,0.76,0.991,0.10825166198341443,0.2958073469947228,0.234990747721198,0.29701528339387295,0.23401626002330203
EOS-5-03786,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)ccc1-c1cocn1,MEJWBWKROHARJG-UHFFFAOYSA-N,5,1,0.311,60,663,481.48,2.115,6,0.341,0.67,0.996,0.19354396545815913,0.06821842231512576,0.110042149270098,0.06716469056267563,0.10974230690151462
EOS-5-03787,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cn4)n23)cc1F,RASKZPVJVIMPMP-UHFFFAOYSA-N,5,1,0.362,0,175,445.458,2.717,5,0.516,0.88,0.987,0.0773079295456103,0.082525186758961,0.0038722500171338497,0.01934411623603591,0.045762370639435265
EOS-5-03788,Clc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNCC3COC3)n12,RUDYPVXPZYDQIW-UHFFFAOYSA-N,5,1,0.362,78,75,413.894,2.699,5,0.519,0.67,1.0,0.21299088479199507,0.22401651703104652,0.11277499828661504,0.2675193612500857,0.20432544033993558
EOS-5-03789,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsc5)c(OC)c4)n23)C1,OXZJEHCTCALMHN-UHFFFAOYSA-N,5,1,0.361,5,741,430.537,3.815,5,0.469,0.57,1.0,0.14620313892125283,0.005697005003084093,0.34042389143992874,0.4017031046535536,0.2235067850044548
EOS-5-03790,Fc1cnccc1OCc1cncc2nnc(-c3ccc(-c4cncs4)nn3)n12,CUULYRFLTYWNDB-UHFFFAOYSA-N,5,1,0.347,54,920,406.406,2.818,5,0.439,0.67,1.0,0.4188283873620725,0.4431070522925091,0.27478411349461995,0.28788294153930505,0.3561506236721266
EOS-5-03791,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1cocn1,YOMSZXWKJNBWTP-UHFFFAOYSA-N,5,1,0.29,60,217,480.492,2.72,6,0.346,0.65,1.0,0.17653005277225686,0.0720392707833596,0.22766602700294702,0.13421801110273457,0.1526133404153245
EOS-5-03792,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)ccc1-c1cocn1,ZCVAYLDIGOSEOP-UHFFFAOYSA-N,5,1,0.327,60,663,480.492,2.72,6,0.346,0.68,1.0,0.1793999725858406,0.06455177849359194,0.2530241244602837,0.1482077993283531,0.16129591871701732
EOS-5-03793,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cscc1-c1cccs1,DNSHEDFNGWLWIP-UHFFFAOYSA-N,5,1,0.337,5,257,473.627,5.899,6,0.319,0.75,1.0,0.1519858131725036,0.011522513878418203,0.2206411486532794,0.35076416969364677,0.183728411349462
EOS-5-03794,O=C(NCc1cncc2nnc(-c3ccc(-c4ccsn4)nc3Cl)n12)C1CCC1,LHHGXZQBFSXTJT-UHFFFAOYSA-N,5,1,0.393,78,634,425.905,3.38,5,0.492,0.72,1.0,0.08855630182989514,0.14559488725926942,0.005996847371667466,0.04560174079912275,0.07143744431498869
EOS-5-03796,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)CC5)c(F)c4)n23)nc1,YVNXZRZHOOYZGI-UHFFFAOYSA-N,5,1,0.304,0,825,434.45,3.875,5,0.489,0.84,1.0,0.07539750531149339,0.11428277705434857,0.06545987252415873,0.2643667329175519,0.12987672195188815
EOS-5-03797,O=C(c1ccc(-c2cncc3nnc(-c4ccccc4)n23)cc1)N1CCC(F)(F)CC1,FGGFMEHEFFZNQP-UHFFFAOYSA-N,5,1,0.378,0,901,419.435,4.33,5,0.496,0.9,1.0,0.17097868549105613,0.08907031731889521,0.18282674251250772,0.46200568843807827,0.22622035844013433
EOS-5-03798,COCC1CCC(NCc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)c4)n23)CC1,KDMCSQQBEOKFNS-UHFFFAOYSA-N,5,1,0.353,5,741,464.595,4.218,5,0.418,0.82,1.0,0.13815022959358508,0.004360564731683915,0.039039476389555204,0.12120485230621617,0.07568878075526009
EOS-5-03799,Fc1cc(-c2cnccn2)ccc1-c1nnc2cncc(CNCc3cc(-n4cnnn4)ncn3)n12,CYUYKRUKMDMVRH-UHFFFAOYSA-N,5,1,0.272,60,644,481.459,1.443,6,0.353,0.59,1.0,0.15199438009732028,0.14955280652456995,0.13574292372010144,0.14821636625316975,0.14637661914879035
EOS-5-03800,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCO4)n23)ccc1-c1cccnn1,PQMWIKMGMPBSIN-UHFFFAOYSA-N,5,1,0.364,5,966,431.456,2.052,5,0.493,0.63,1.0,0.14069460626413544,0.006228154341717497,0.03366801452950449,0.0442053320540059,0.05619902679734083
EOS-5-03802,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)ccc1-c1cnsc1,VURSNIBJQLRCMO-UHFFFAOYSA-N,5,1,0.404,5,966,420.498,3.34,5,0.514,0.81,1.0,0.17940853951065724,0.03828558700568844,0.019738194777602632,0.05087896648619012,0.0720778219450346
EOS-5-03803,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCO4)n23)ccc1-c1nccs1,FILLKZRDMRCCJB-UHFFFAOYSA-N,5,1,0.37,5,966,436.497,2.719,5,0.496,0.64,1.0,0.12436604756356658,0.007530326913851004,0.023524775546569805,0.028819135083270508,0.046060071276814475
EOS-5-03805,c1cc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-c6cncnc6)nn5)n34)cn2)ccn1,JXQGPNDPEDLGAA-UHFFFAOYSA-N,5,1,0.307,60,869,473.504,2.785,6,0.369,0.68,1.0,0.12713316427935029,0.04195223082722226,0.20307895277911042,0.18572236310054144,0.1394716777465561
EOS-5-03806,COCCC1CCCN1Cc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,MZQBEGNFOJUMPY-UHFFFAOYSA-N,5,1,0.38,5,743,450.568,3.924,5,0.403,0.58,1.0,0.08618326365567816,0.041960797752038925,0.01884723459666918,0.0785329997943938,0.05638107394969502
EOS-5-03807,COc1cc(-c2nnc3cncc(CNC(=O)C4CCCO4)n23)ccc1-c1nncs1,SUJNRWNUXUBKLO-UHFFFAOYSA-N,5,1,0.367,5,966,437.485,2.114,5,0.488,0.64,1.0,0.12714173120416694,0.006236721266534165,0.012601946405318348,0.015291960797752038,0.040318089918442865
EOS-5-03808,COc1cc(-c2nnc3cncc(CNC(=O)C4CCc5ncccc54)n23)ccc1-c1nccs1,SORROZBXGUEDNV-UHFFFAOYSA-N,5,1,0.368,14,257,483.557,3.665,6,0.393,0.64,1.0,0.20760228908231101,0.10161229525049688,0.11577342197244878,0.10086697279144678,0.13146374477417586
EOS-5-03809,CCC#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5ccsn5)c(OC)c4)n23)C1,JSPBBYJLUXQATM-UHFFFAOYSA-N,5,1,0.337,5,741,458.591,4.595,5,0.426,0.62,1.0,0.11360598999383181,0.008926735658967858,0.27058632033445273,0.3032777054348571,0.17409918785552736
EOS-5-03810,COc1cc(-c2nnc3cncc(CNCC4CC45CCC5)n23)ccc1-c1cncs1,XEVQISQYCRYSGS-UHFFFAOYSA-N,5,1,0.368,5,741,432.553,4.203,6,0.472,0.54,1.0,0.11361455691864848,0.019883832499485984,0.03496162017682133,0.26437529984236857,0.1082088273593311
EOS-5-03811,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3F)n12,DFANFBWLRJORMR-UHFFFAOYSA-N,5,1,0.396,78,753,412.45,2.625,4,0.523,0.87,1.0,0.25632239051470085,0.1993780412583099,0.16356829552463847,0.11663011445411554,0.1839747104379412
EOS-5-03813,CCOCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)CC1,OFLWPMUZERNFFY-UHFFFAOYSA-N,5,1,0.356,5,741,478.622,4.608,5,0.376,0.76,1.0,0.19644815297100954,0.008935302583784525,0.048351723665273114,0.13864711123295181,0.09809557261325474
EOS-5-03815,O=C(NCc1cncc2nnc(-c3ccc(-c4ccsn4)nc3F)n12)C1CCCO1,DQZMABBUKFIFGH-UHFFFAOYSA-N,5,1,0.362,78,634,425.449,2.244,5,0.489,0.55,1.0,0.10584435610993077,0.1047734905078473,0.01497498457953533,0.042954561030772394,0.06713684805702146
EOS-5-03816,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnn5)ncn4)n23)ccc1-c1ncno1,VXXBCBNZZRFIEY-UHFFFAOYSA-N,5,1,0.287,60,644,482.468,1.51,6,0.333,0.64,1.0,0.2048094715920773,0.07204783770817627,0.06973476800767596,0.03585258035775478,0.09561116441642108
EOS-5-03817,COc1cc(-c2nnc3cncc(CNCC4CCC(C)C4)n23)ccc1-c1nncs1,FMQMHTYMSFLCNV-UHFFFAOYSA-N,5,1,0.357,5,741,435.557,3.844,5,0.472,0.65,1.0,0.13289870468096773,0.005174422589267357,0.037625933794805014,0.09480159002124597,0.06762516277157152
EOS-5-03818,COC(=O)c1nnc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2OC)s1,UMYGTFSQUAGCFT-UHFFFAOYSA-N,5,1,0.347,5,741,451.512,2.747,5,0.423,0.84,1.0,0.10066136659584675,0.015274826948118703,0.00367521074635049,0.003229730655883764,0.030710283736549927
EOS-5-03819,CCOC(=O)C(=O)NCc1cncc2nnc(-c3ccc(-c4cncs4)nc3C)n12,MBZQKMYTARYVIP-UHFFFAOYSA-N,5,1,0.359,78,753,423.458,1.798,4,0.381,0.62,1.0,0.12715029812898362,0.08253375368377767,0.007393256116784319,0.0010622986772668083,0.054534901651703105
EOS-5-03820,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cnnn4)nc3)n12,ZFDUQVVOGMZPCX-UHFFFAOYSA-N,5,1,0.295,60,644,480.471,2.048,6,0.361,0.62,1.0,0.13014872181481735,0.16487046809677197,0.2421184291686656,0.252270235076417,0.19735196353916798
EOS-5-03821,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1cnco1,PFVHNBSTZGRMTM-UHFFFAOYSA-N,5,1,0.321,60,663,480.492,2.72,6,0.346,0.67,1.0,0.1709872524158728,0.07556884380782675,0.20308751970392708,0.12347508738263313,0.14327967582756493
EOS-5-03822,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)CC5)cc4)n23)cc1,RSKVITZZDGSEFQ-UHFFFAOYSA-N,5,1,0.398,0,901,444.47,3.131,5,0.521,0.94,1.0,0.09123774929751216,0.029341717497087246,0.041900829278322255,0.1234836543074498,0.07149098759509287
EOS-5-03823,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1nnc(-c2cccnn2)s1,KTXOUBRYJQFGTN-UHFFFAOYSA-N,5,1,0.333,5,741,471.55,3.418,6,0.381,0.71,0.977,0.12715886505380028,0.019892399424302654,0.013150229593585087,0.032699952025221024,0.04822536152422726
EOS-5-03824,Fc1cc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(CNC3CCC3)n12,MDQAYRZCKQDZFJ-UHFFFAOYSA-N,5,1,0.341,78,830,409.856,3.683,5,0.541,0.88,1.0,0.312692755808375,0.28540710026728805,0.16977931601672264,0.45251353574121034,0.305098176958399
EOS-5-03825,CCC1CC1CNCc1cncc2nnc(-c3ccc(-c4nncs4)c(OC)c3)n12,SGAICEHLCSOGRI-UHFFFAOYSA-N,5,1,0.347,5,75,421.53,3.454,5,0.466,0.66,1.0,0.16292577616338838,0.041969364676855594,0.14784798848605304,0.16386813789322185,0.12915281680487972
EOS-5-03826,CCOc1cc(-c2nnc3cncc(CNC(=O)COC)n23)ccc1-c1cccnn1,HDPJCQIUOHCQOM-UHFFFAOYSA-N,5,1,0.377,5,966,419.445,1.91,4,0.46,0.73,1.0,0.19925810431087657,0.02212836680145295,0.09968473716674663,0.04296312795558906,0.0910085840586663
EOS-5-03827,COc1cc(-c2nnc3cncc(CNCC4CCCOC4)n23)ccc1-c1cncs1,FJMTUKVYCNWUFC-UHFFFAOYSA-N,5,1,0.384,5,75,436.541,3.44,5,0.475,0.64,1.0,0.12437461448838324,0.005705571927900761,0.033676581454321154,0.08710849153587828,0.06271631485162085
EOS-5-03828,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)o4)n23)c(F)c1,VXWYBKMRKVMAGU-UHFFFAOYSA-N,5,1,0.51,62,504,490.882,4.456,5,0.376,0.81,0.999,0.3048968542252073,0.39741964224521964,0.645217942567336,0.5684754300596258,0.4790024672743472
EOS-5-03829,COc1cc(-c2nnc3cncc(CNCC4(F)CC4)n23)ccc1-c1cscn1,URTOIRIHDWWHKQ-UHFFFAOYSA-N,5,1,0.382,5,743,410.478,3.515,5,0.502,0.66,1.0,0.31768727297649235,0.1993866081831266,0.15388767048180385,0.270243643341786,0.2353012987458022
EOS-5-03830,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)C1(O)CC1,AZFMIYCDFJZYEZ-UHFFFAOYSA-N,5,1,0.369,78,793,412.41,0.985,5,0.464,0.57,1.0,0.24590500993763278,0.2240250839558632,0.007007744500034268,0.026805907751353573,0.12593593653622095
EOS-5-03831,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4F)n23)CC1,IOMDYQKDUZUONY-UHFFFAOYSA-N,5,1,0.321,78,741,480.613,5.047,5,0.38,0.87,1.0,0.1462117058460695,0.12062230141868276,0.057646837091357685,0.2405592488520321,0.14126002330203552
EOS-5-03833,Cc1nc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)ccc1Cl,CLYZNDUFKWYCDD-UHFFFAOYSA-N,5,1,0.477,90,473,401.257,3.818,4,0.506,0.8,1.0,0.717377150298129,0.7647693783839353,0.4962990884791995,0.605270372147214,0.6459289973271195
EOS-5-03834,COc1cc(-c2nnc3cncc(CCC(=O)N4CCC(F)(F)CC4)n23)ccc1-c1cnsc1,LDKBHJOPUNJKSG-UHFFFAOYSA-N,5,1,0.427,5,741,484.532,4.114,5,0.409,0.65,1.0,0.19355253238297582,0.1610324857789048,0.025657939825920087,0.13422657802755122,0.128617384003838
EOS-5-03835,Cc1nc(-c2ccc(-c3nnc4cncc(CNCc5cc(-n6cncn6)ncn5)n34)c(F)c2)no1,PFOAYCZYBRSCCY-UHFFFAOYSA-N,5,1,0.281,60,644,484.459,1.949,6,0.354,0.7,0.999,0.16834863957233911,0.22403365088067986,0.09032108834212871,0.07662257556027688,0.13983148858885613
EOS-5-03836,Cn1cncc1-c1ccc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)cc1F,IGWPCICHWWOFPU-UHFFFAOYSA-N,5,1,0.287,60,644,481.499,2.596,6,0.37,0.64,1.0,0.1492700980056199,0.14560345418408607,0.2894078541566719,0.2554999657323007,0.20994534301966966
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EOS-5-03890,O=C(NCc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12)C1(F)CCOCC1,CUROEEFRETZPPO-UHFFFAOYSA-N,5,1,0.411,78,634,457.466,2.584,5,0.459,0.6,1.0,0.06548557329860873,0.08591768898636146,0.011008498389418135,0.06086800082242478,0.05581994037420328
EOS-5-03891,COc1cc(-c2cnc(C)cn2)ccc1-c1nnc2cncc(CNC(=O)C3CC3)n12,LGENFPAUEJOTGP-UHFFFAOYSA-N,5,1,0.362,5,753,415.457,2.592,5,0.516,0.82,1.0,0.23786923445959837,0.05285792611884038,0.028836268932903846,0.03485025015420465,0.08860341991638682
EOS-5-03892,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1cnco1,VHQBACMIFATCCZ-UHFFFAOYSA-N,5,1,0.309,60,663,481.48,2.115,6,0.341,0.62,1.0,0.17942567336029058,0.05672160921115756,0.15103488451785346,0.08711705846069495,0.11857480638749915
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EOS-5-03894,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1cnco1,AIHTZPDUVGVCBK-UHFFFAOYSA-N,5,1,0.297,60,149,480.492,2.72,6,0.346,0.62,1.0,0.16294291001302172,0.06458604619285861,0.24559660064423275,0.14331608525803577,0.1541104105270372
EOS-5-03895,c1cnc(Oc2ccc(-c3nnc4cncc(CNCc5cc(-n6cncn6)ncn5)n34)cc2)nc1,PHKVYPAWFUXVDQ-UHFFFAOYSA-N,5,1,0.327,60,663,478.48,2.034,6,0.343,0.71,1.0,0.1407031731889521,0.05673017613597423,0.09704612432321294,0.05786957713659105,0.08808726269618258
EOS-5-03896,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5COC5)n34)cc2F)cs1,XYXWJDRFXYUXTF-UHFFFAOYSA-N,5,1,0.368,78,75,410.478,3.098,5,0.526,0.81,1.0,0.27771400178192035,0.2750239873894867,0.2168888355835789,0.30018504557604003,0.2674529675827565
EOS-5-03897,COC(=O)C(NCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12)c1ccccc1,QHGWMDFJVFASMX-UHFFFAOYSA-N,5,1,0.373,62,257,486.557,3.927,5,0.329,0.68,1.0,0.24873209512713315,0.12063086834349941,0.4368788979507916,0.24628195462956617,0.2631309540127476
EOS-5-03898,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cccc(Cl)n1,COVAMKJCHYCKDP-UHFFFAOYSA-N,5,1,0.354,78,830,408.868,4.288,5,0.499,0.92,1.0,0.3397642382290453,0.27503255431430335,0.3519549722431636,0.6666266876841889,0.4083446131176753
EOS-5-03899,CNC(=O)c1ccc(-c2nnc3cncc(CNCc4cccc(-n5ncnn5)n4)n23)cc1,YSPZKFGORFETKN-UHFFFAOYSA-N,5,1,0.355,61,416,441.459,0.811,5,0.375,0.75,1.0,0.08384449318072784,0.029350284421903912,0.03368514837913782,0.012636214104585018,0.03987903502158865
EOS-5-03900,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(N)=O)cc4)n23)c(F)c1F,FPEWNUIIXCDIIZ-UHFFFAOYSA-N,5,1,0.407,0,938,408.368,2.195,4,0.537,0.89,1.0,0.3470032896991296,0.3161109588102255,0.6391011582482352,0.4985607566307998,0.45019404084709747
EOS-5-03901,c1cnn(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6nncs6)cc5)n34)ncn2)c1,BAEJKDFDZCKWHX-UHFFFAOYSA-N,5,1,0.3,60,84,467.522,2.575,6,0.377,0.65,1.0,0.10826879583304777,0.012524844081968337,0.08784524707011171,0.07663114248509355,0.07131750736755535
EOS-5-03902,Fc1ccc(CN2CCC(Cc3cncc4nnc(-c5ccc(-c6ncsn6)cc5)n34)CC2)cn1,XQEQLOUBTVQLPY-UHFFFAOYSA-N,5,1,0.41,52,172,486.58,4.299,6,0.331,0.78,1.0,0.2295336166129806,0.1572287711603043,0.028844835857720512,0.18313515180590775,0.14968559385922828
EOS-5-03903,Fc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1cccnn1,SDERPIXVBCIUPU-UHFFFAOYSA-N,5,1,0.284,60,644,480.471,2.048,6,0.361,0.65,0.975,0.12439174833801658,0.14561202110890276,0.21358200260434515,0.21722294565142897,0.17520217942567337
EOS-5-03904,Cc1cc(-c2nnc3cncc(CNCc4ccc(-n5ncnn5)cn4)n23)ccc1C(N)=O,PSFLXACTDPVSEP-UHFFFAOYSA-N,5,1,0.321,85,416,441.459,0.859,5,0.374,0.73,1.0,0.08174559660064423,0.02666027002947022,0.04836029059008978,0.021708587485436227,0.04461868617641011
EOS-5-03905,Fc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1ncsn1,PVFUFIYCPMVQNA-UHFFFAOYSA-N,5,1,0.324,60,869,484.524,3.319,6,0.367,0.67,1.0,0.16577856212733877,0.19474333493249263,0.3295867315468439,0.30665307381262424,0.2491904256048249
EOS-5-03906,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5cncs5)nc4)n23)ccn1,SOODBWQLOLHUDY-UHFFFAOYSA-N,5,1,0.385,55,767,405.418,3.423,5,0.414,0.66,1.0,0.4120176821328216,0.5376687684188883,0.48966828867109863,0.452522102666027,0.47296921047220886
EOS-5-03907,Cc1snnc1-c1ccc(-c2nnc3cncc(-c4ccc(F)c(-c5cnccn5)n4)n23)c(F)c1,WNVGXIFVCHMDKP-UHFFFAOYSA-N,5,1,0.31,39,596,485.483,4.415,6,0.361,0.63,0.87,0.15200294702213693,0.30579638133095743,0.41830580494825575,0.48016756904941404,0.33906817558769103
EOS-5-03908,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCC3CC3(F)F)n12,CHVCCRXXHPKZFR-UHFFFAOYSA-N,5,1,0.337,78,830,417.42,3.194,5,0.519,0.57,0.999,0.11362312384346515,0.25437769858131726,0.757530326913851,0.8107480638749914,0.4840698033034062
EOS-5-03909,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)n23)c(F)c1F,VWLALLSFYPDYLX-UHFFFAOYSA-N,5,1,0.412,83,504,488.429,4.227,5,0.384,0.82,1.0,0.19646528682064285,0.4070145980398876,0.8737577959015832,0.8230758686861764,0.5750783873620725
EOS-5-03910,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cccn4)nn3)n12,AICNXWMFMCTJIN-UHFFFAOYSA-N,5,1,0.294,60,84,479.483,2.653,6,0.368,0.61,0.999,0.10066993352066342,0.17331745596600645,0.22065828250291275,0.24056781577684874,0.18380337194160784
EOS-5-03911,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4ccc(-c5ccccc5)nc4)n23)cc1F,ULWJDRWFEXFNHY-UHFFFAOYSA-N,5,1,0.327,30,363,490.546,4.683,6,0.35,0.74,1.0,0.304905421150024,0.2958244808443561,0.6093139606606812,0.5871770269344116,0.44930522239736825
EOS-5-03912,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)ccc1-c1ccon1,KSBFDYSFIMBZNK-UHFFFAOYSA-N,5,1,0.311,60,663,481.48,2.115,6,0.341,0.72,0.996,0.17943424028510727,0.04563600849838942,0.10736070180248099,0.0671732574874923,0.09990105201836749
EOS-5-03913,OCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12,GKGUMNNQLVZUJX-UHFFFAOYSA-N,5,1,0.356,78,75,411.466,2.167,5,0.481,0.49,1.0,0.2592951134260846,0.21867075594544583,0.3259200877253101,0.4462168460009595,0.31252570077445
EOS-5-03914,Cn1nc(-c2nnc3cncc(OCc4cccnc4-n4cccn4)n23)cc1-c1cncs1,RRELNWUUVQCNKD-UHFFFAOYSA-N,5,1,0.381,6,694,456.495,2.808,6,0.376,0.59,0.996,0.08620896443012815,0.01528339387293537,0.06353231444040847,0.05488828730039065,0.05497824001096566
EOS-5-03915,Oc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1-c1cscn1,CVLUPJPXYWEWCB-UHFFFAOYSA-N,5,1,0.297,60,84,482.533,2.886,6,0.352,0.67,1.0,0.17656432047152354,0.08592625591117813,0.12418614214241656,0.1094595983825646,0.12403407922692071
EOS-5-03916,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(CNCc3ccc(-n4ccnn4)cn3)n12,HKFGSEOJYSEFMM-UHFFFAOYSA-N,5,1,0.296,60,84,484.524,3.319,6,0.367,0.65,1.0,0.17376293605647317,0.16876841888835584,0.34827119457199646,0.3411263792748955,0.25798223219793026
EOS-5-03917,O=C(NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3F)n12)C1(F)CC1,RKXTXNUJQAANKK-UHFFFAOYSA-N,5,1,0.438,78,753,413.413,2.567,5,0.54,0.71,1.0,0.19356966623260916,0.24448290041806592,0.05017647865122336,0.20256493729011035,0.1726984956480022
EOS-5-03918,O=C(Nc1ccc(F)cc1)c1ccc(-c2cncc3nnc(-c4ccc(Br)cc4)n23)cc1,NMQCXRYEOVOSHT-UHFFFAOYSA-N,5,1,0.471,83,504,488.32,5.612,5,0.357,0.91,1.0,0.19101672263724215,0.39742820917003635,0.8944811870331026,0.8829329723802344,0.5914647728051539
EOS-5-03919,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(CNCc3cc(-n4ccnc4)ncn3)n12,VLUUXFTWKVDTRC-UHFFFAOYSA-N,5,1,0.291,60,869,484.524,3.319,6,0.367,0.72,0.997,0.1629514769378384,0.1903056678774587,0.3404324583647454,0.32497772599547664,0.2546668322938798
EOS-5-03920,CCOCC1CCC(NCc2cncc3nnc(-c4ccc(-c5ccsn5)c(OC)c4)n23)CC1,WCLATIPNRDLAPO-UHFFFAOYSA-N,5,1,0.356,5,741,478.622,4.608,5,0.376,0.72,1.0,0.17377150298128985,0.008292783222534439,0.04498492221232266,0.13633404153245152,0.09084581248714962
EOS-5-03921,c1ncc(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)ncn2)cn1,CAOAPAYHCNOOLM-UHFFFAOYSA-N,5,1,0.317,94,869,478.545,3.452,6,0.368,0.63,1.0,0.1271845658282503,0.07558597765746009,0.22767459392776368,0.20841614693989446,0.15971532108834213
EOS-5-03922,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)nn1,ZKNBGTOSTFVAOJ-UHFFFAOYSA-N,5,1,0.34,0,825,432.419,1.722,5,0.519,0.88,0.997,0.0734528133781098,0.08255088753341101,0.001884723459666918,0.006596532108834213,0.04112123912000549
EOS-5-03923,O=C(Nc1cccc(F)c1)c1ccc(-c2cncc3nnc(-c4ccc(F)c(C(F)(F)F)c4)n23)cc1,XXRAJXUJBMYHEF-UHFFFAOYSA-N,5,1,0.495,83,504,495.411,6.008,5,0.31,0.84,1.0,0.4212785278596395,0.6420653142348023,0.994791309711466,0.9897796586937153,0.7619787026249059
EOS-5-03924,CCCCN(Cc1cncc2nnc(-c3ccc(-c4cnsc4)c(OC)c3)n12)C(C)=O,UKPYSFOPBPJBRZ-UHFFFAOYSA-N,5,1,0.424,5,741,436.541,4.072,4,0.414,0.64,1.0,0.0912548831471455,0.0167397710917689,0.01712528270851895,0.011385443081351518,0.03412634500719622
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EOS-5-03928,CCCCC(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,RDHVYBURNJDCNR-UHFFFAOYSA-N,5,1,0.388,5,966,422.514,3.73,4,0.465,0.86,1.0,0.160098690973888,0.009766294291001303,0.027816804879720377,0.015300527722568708,0.053245579466794604
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EOS-5-03932,COc1cc(-c2nnc3cncc(CNC4CCN(C(C)=O)CC4)n23)ccc1-c1cscn1,MSHXYLGOBKZEHF-UHFFFAOYSA-N,5,1,0.354,5,741,463.567,3.024,5,0.469,0.88,1.0,0.10334281406346378,0.00692207525186759,0.004035021588650538,0.008609759440751147,0.03072741758618327
EOS-5-03933,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1nnco1,GIDPIJQAKVLREP-UHFFFAOYSA-N,5,1,0.287,60,644,481.48,2.115,6,0.341,0.69,1.0,0.1737800699061065,0.05286649304365705,0.1357514906449181,0.07272462476869303,0.10878066959084366
EOS-5-03934,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccnc(Cl)c1,BUOZUWJYMFUXBV-UHFFFAOYSA-N,5,1,0.344,78,830,408.868,4.288,5,0.499,0.93,1.0,0.320043177301076,0.3109365362209581,0.4442207525186759,0.7366184634363648,0.4529547323692687
EOS-5-03935,COc1cc(-c2nnc3cncc(CCC4CCCCO4)n23)ccc1-c1cccnc1,VEBZSEGRTGOPKK-UHFFFAOYSA-N,5,1,0.417,5,741,415.497,4.364,5,0.466,0.73,1.0,0.20192241792886026,0.09841683229387979,0.08785381399492838,0.2318209855390309,0.15500351243917482
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EOS-5-03938,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4ccnc4)nn3)n12,IIECGIUGLURQDG-UHFFFAOYSA-N,5,1,0.317,60,84,485.512,2.714,6,0.363,0.66,0.999,0.1853282845589747,0.18170447536152423,0.16033856486875472,0.16655815228565554,0.1734823692687273
EOS-5-03939,c1csc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-c6cnccn6)nn5)n34)cn2)c1,ILAUIIWRMIBRIE-UHFFFAOYSA-N,5,1,0.337,70,869,478.545,3.452,6,0.368,0.66,1.0,0.12147042697553287,0.08907888424371188,0.12419470906723322,0.1277157151668837,0.11561493386334043
EOS-5-03940,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-c1cnco1,VUTYNVIJZXYFAO-UHFFFAOYSA-N,5,1,0.306,60,149,480.492,2.72,6,0.346,0.59,1.0,0.15476149681310397,0.060499623055308066,0.20674559660064423,0.12772428209170036,0.13743274964018917
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EOS-5-03943,CCCCCCCCC(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,MPAHCQGOUQUKTE-UHFFFAOYSA-N,5,1,0.381,5,701,478.622,5.29,4,0.278,0.87,1.0,0.16010725789870467,0.013869851278185182,0.005697005003084093,0.0052686587622507025,0.046235693235556166
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EOS-5-03945,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-c1ccon1,RULDRTPYRBQKRV-UHFFFAOYSA-N,5,1,0.301,60,84,480.492,2.72,6,0.346,0.64,1.0,0.16296004386265506,0.03830272085532178,0.18611644164210814,0.11888321568089918,0.12656560551024604
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EOS-5-03948,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)s4)n23)cc1,TVBSJGCVYJRYAS-UHFFFAOYSA-N,5,1,0.565,62,504,488.96,4.785,5,0.37,0.8,1.0,0.24059351655129874,0.2958330477691728,0.4690991021862792,0.3954835172366527,0.35025229593585083
EOS-5-03949,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1nncs1,FBRLGNPASOOZIT-UHFFFAOYSA-N,5,1,0.351,5,741,465.583,3.349,5,0.408,0.75,1.0,0.11062470015763141,0.005182989514084024,0.013655678157768487,0.07663970940991022,0.051525769309848535
EOS-5-03951,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)c(F)c4)n23)nc1,SBSIUGVVPVACAE-UHFFFAOYSA-N,5,1,0.33,0,825,431.431,2.327,5,0.53,0.9,0.981,0.07540607223631006,0.07559454458227674,0.0063652251387841825,0.026814474676170243,0.0460450791583853
EOS-5-03952,Fc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1ncsn1,WMNPUZKWSBWUQC-UHFFFAOYSA-N,5,1,0.319,60,869,485.512,2.714,6,0.363,0.63,1.0,0.17944280720992392,0.1947519018573093,0.19606264135425946,0.18859228291412514,0.18971240833390446
EOS-5-03953,CCN1CCC(NCc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)CC1,NYOSUXRQYPTADW-UHFFFAOYSA-N,5,1,0.343,5,123,449.584,3.497,5,0.462,0.88,1.0,0.10067850044548009,0.004394832430950586,0.0077445000342676994,0.028836268932903846,0.035413525460900555
EOS-5-03954,COc1cc(-c2nnc3cncc(CNCCCc4cccnc4)n23)ccc1-c1cnsc1,GKQBOFIJFLIXIZ-UHFFFAOYSA-N,5,1,0.369,60,257,457.563,4.041,5,0.334,0.63,1.0,0.08621753135494482,0.01153108080323487,0.2562367212665342,0.21152594064834487,0.1413778185182647
EOS-5-03955,O=C(NCc1cncc2nnc(-c3ccc(-c4css4)nc3F)n12)C1CCC1,KDMORXUYNXZXSF-UHFFFAOYSA-N,5,1,0.392,78,793,414.491,3.532,5,0.399,0.73,1.0,0.1794513741347406,0.18603933931875813,0.0053714618600507165,0.029701528339387294,0.10014092591323417
EOS-5-03956,OCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5nnc(CO)s5)cc4F)n23)CC1,WRXSGCPUTNKQAT-UHFFFAOYSA-N,5,1,0.297,78,830,483.573,2.972,5,0.35,0.64,0.965,0.15755431430333766,0.1456205880337194,0.013664245082585156,0.12773284901651702,0.11114299910903983
EOS-5-03957,Fc1cc(-c2nnc3cncc(CNCc4cccc(-n5ncnn5)n4)n23)ccc1-c1ncsn1,UWDHKUBNTYFMCU-UHFFFAOYSA-N,5,1,0.326,60,644,486.5,2.109,6,0.357,0.61,1.0,0.1964824206702762,0.20876739085737783,0.07189363306147625,0.08712562538551162,0.14106726749366047
EOS-5-03958,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3cc(-n4ccnc4)ncn3)n12,BAZNAYJPCVLABZ-UHFFFAOYSA-N,5,1,0.286,60,869,484.524,3.319,6,0.367,0.68,1.0,0.16835720649715577,0.16487903502158865,0.32592865465012677,0.3128041258309917,0.24299225549996573
EOS-5-03959,COc1cc(-c2nnc3cncc(CNCc4nnccc4-n4cccn4)n23)ccc1-c1cnco1,MANSTONUKWFLBZ-UHFFFAOYSA-N,5,1,0.306,60,84,480.492,2.72,6,0.346,0.59,1.0,0.15202008087177027,0.06459461311767528,0.15704886573915428,0.10946816530738127,0.12078293125899528
EOS-5-03960,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1nc(-c2cccs2)ns1,PODXHMBBAODBKP-UHFFFAOYSA-N,5,1,0.327,5,743,475.603,4.689,6,0.365,0.71,1.0,0.11637310670961552,0.0352871633198547,0.021408745116852854,0.0562846960455075,0.05733842779795764
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EOS-5-03962,CCCCN(CC)Cc1cncc2nnc(-c3ccc(-c4ccsn4)c(OC)c3)n12,HRPBYJODPPJXDY-UHFFFAOYSA-N,5,1,0.413,5,743,422.558,4.545,4,0.394,0.74,1.0,0.13015728873963403,0.03529573024467137,0.026634569255020217,0.02682304160098691,0.054727657460078134
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EOS-5-03967,CCCCc1nnc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2OC)s1,HEMFMJMWRGNZBH-UHFFFAOYSA-N,5,1,0.347,5,741,449.584,4.303,5,0.407,0.83,0.999,0.08385306010554451,0.010682955246384757,0.0030241244602837365,0.007436090740867658,0.026249057638270165
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EOS-5-03995,c1cn(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6ncsn6)cc5)n34)cn2)cn1,INJXMVIVYTXRBT-UHFFFAOYSA-N,5,1,0.333,60,8,466.534,3.18,6,0.382,0.62,1.0,0.0817541635254609,0.024458570351586596,0.2135905695291618,0.17210951956685627,0.1229782057432664
EOS-5-03996,CCCCN(Cc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12)C(C)=O,OCKTXCVJSUETPY-UHFFFAOYSA-N,5,1,0.414,5,743,436.541,4.072,4,0.414,0.82,1.0,0.08622609827976149,0.012533411006785004,0.009449318072784593,0.004309163182783908,0.02812949763552875
EOS-5-03997,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)c(F)c4)n23)cc1,VBLGZTJTSWKZSQ-UHFFFAOYSA-N,5,1,0.382,0,21,415.472,4.532,5,0.493,0.91,1.0,0.1520372147214036,0.1860736070180248,0.019746761702419298,0.1665667192104722,0.13110607566307997
EOS-5-03998,COCCC(=O)NCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,YYJVRCHWJUZPBP-UHFFFAOYSA-N,5,1,0.385,5,966,424.486,2.576,4,0.464,0.9,1.0,0.1492957987800699,0.004403399355767254,0.043374340346789116,0.017099581934068946,0.0535432801041738
EOS-5-03999,CCCCN(Cc1cncc2nnc(-c3ccc(-c4cnsc4)c(OC)c3)n12)C(=O)OC,JDAFWSZOHCZSQB-UHFFFAOYSA-N,5,1,0.409,5,741,452.54,4.292,4,0.393,0.52,1.0,0.07541463916112673,0.016765471866218903,0.012096497841134946,0.00527722568706737,0.02738845863888699
EOS-5-04000,CCCCCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(CC)n3)n12,MLCKKFRWYQDBFX-UHFFFAOYSA-N,5,1,0.333,78,878,407.909,4.592,4,0.416,0.69,0.77,0.3491878555273799,0.3058049482557741,0.013158796518401754,0.03485881707902132,0.17575260434514428
EOS-5-04001,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4ccc(Br)cc4)n23)cc1F,QCJHUCOINHIZAT-UHFFFAOYSA-N,5,1,0.375,14,291,492.356,4.383,5,0.381,0.76,1.0,0.327599204989377,0.402362757864437,0.7126396408745117,0.7012456308683435,0.5359618086491673
EOS-5-04002,c1ccc(Oc2ccc(-c3nnc4cncc(CNCc5cc(-n6cnnc6)ncn5)n34)cc2)nc1,QAWOHDDGKYVJRU-UHFFFAOYSA-N,5,1,0.393,60,663,477.492,2.639,6,0.349,0.72,1.0,0.10828592968268111,0.0682612569392091,0.19954937975464326,0.1459975327256528,0.13052352477554657
EOS-5-04003,c1cnnc(-c2ccc(-c3nnc4cncc(CNCc5cccc(-n6cncn6)n5)n34)cn2)c1,XBBRWMFRSNIRFP-UHFFFAOYSA-N,5,1,0.294,60,663,462.481,1.909,6,0.374,0.69,0.751,0.08386162703036118,0.012541977931601672,0.08046055787814406,0.06718182441230895,0.06101149681310397
EOS-5-04004,Fc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cc(Cl)cnn1,RVZNOFUHHGZNNA-UHFFFAOYSA-N,5,1,0.357,78,830,409.856,3.683,5,0.541,0.79,1.0,0.2725481461174697,0.2908213967514221,0.2456137344938661,0.565065793982592,0.3435122678363375
EOS-5-04005,Cc1nnc2n1CN(Cc1cncc3nnc(-c4ccc(-c5csnn5)nc4F)n13)CC2,BYLPDJBWXGJZOH-UHFFFAOYSA-N,5,1,0.327,53,793,449.479,1.76,6,0.378,0.53,0.861,0.04259475018847234,0.14189397573846893,0.0003512439174833802,0.0017562195874169008,0.04664904735796038
EOS-5-04006,CC#Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)COC)n34)cn2)cs1,ORTYMNSCTLBTLQ-UHFFFAOYSA-N,5,1,0.336,78,634,419.47,1.944,4,0.476,0.63,1.0,0.13291583853060104,0.0859348228359948,0.04499348913713933,0.01771640052086903,0.07039013775615105
EOS-5-04007,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(C)C)n34)c(F)c2)cs1,SISHJQQDYQGRJQ-UHFFFAOYSA-N,5,1,0.408,78,753,410.478,3.635,4,0.543,0.85,1.0,0.2777311356315537,0.20877595778219452,0.19607120827907615,0.11889178260571585,0.20036752107463507
EOS-5-04008,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1cnc(C)nn1,KOPHMFZNYTXUDT-UHFFFAOYSA-N,5,1,0.381,5,966,416.445,1.987,5,0.507,0.89,1.0,0.1910252895620588,0.056747309985607564,0.012619080254951683,0.014135425947501884,0.06863177643752999
EOS-5-04009,COc1cc(-c2nnc3cncc(CCC(=O)N4CCC4)n23)ccc1-c1nccs1,NVIOIWIQQCMOBD-UHFFFAOYSA-N,5,1,0.419,5,743,420.498,3.088,5,0.477,0.89,1.0,0.14071174011376877,0.03831128778013844,0.0012336371736001645,0.0025443766705503393,0.04570026043451444
EOS-5-04010,O=C(NCc1cncc2nnc(-c3ccc(-c4nc[nH]n4)cc3F)n12)C(F)(F)F,QMABZCWGRDNTEB-UHFFFAOYSA-N,5,1,0.424,68,233,406.303,1.894,4,0.501,0.66,1.0,0.38137379206360084,0.429905421150024,0.7717514221095195,0.6695565759714893,0.5631468028236584
EOS-5-04011,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5ccccn5)nc4)n23)cc1F,JTMAFOOJFMCTOM-UHFFFAOYSA-N,5,1,0.351,96,802,411.4,3.153,5,0.486,0.89,1.0,0.24061065040093207,0.21868788979507917,0.5578524432869577,0.5254866013295867,0.3856593962031389
EOS-5-04012,CCN(CCOC)Cc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,TVVACFPBWGSMKN-UHFFFAOYSA-N,5,1,0.409,5,743,424.53,3.392,4,0.407,0.78,1.0,0.11064183400726475,0.02446713727640326,0.0654684394489754,0.04692104722088959,0.061874614488383245
EOS-5-04013,COc1cc(-c2nnc3cncc(CNCCCc4ccncc4)n23)ccc1-c1ccsn1,MPVLDATXDPPSKC-UHFFFAOYSA-N,5,1,0.369,60,257,457.563,4.041,5,0.334,0.8,1.0,0.08856486875471181,0.006245288191350833,0.22769172777739702,0.18041943663902404,0.12573033034062092
EOS-5-04014,COc1cc(-c2nnc3cncc(CNC(=O)CCCO)n23)ccc1-c1nccs1,ITNBOIWRIOAWHH-UHFFFAOYSA-N,5,1,0.385,5,966,424.486,2.312,4,0.446,0.85,1.0,0.14072030703858543,0.00477177712288397,0.028879103556987185,0.015309094647385375,0.047420070591460486
EOS-5-04015,Fc1cc(-c2nnc3cncc(CNCc4ccc(-n5nccn5)nn4)n23)ccc1-c1cncs1,YQQQYMRFFGJRKY-UHFFFAOYSA-N,5,1,0.337,60,84,485.512,2.714,6,0.363,0.6,1.0,0.16578712905215545,0.19476046878212597,0.13576005756973478,0.1588222191762045,0.1637824686450552
EOS-5-04016,O=[N+]([O-])c1ccc(-c2nnc3cncc(CNCc4ccc(-n5ccnn5)cc4)n23)cc1,SKGORHJJRILZBD-UHFFFAOYSA-N,5,1,0.395,14,416,427.428,2.57,5,0.31,0.81,1.0,0.11363169076828182,0.008301350147351106,0.26339010348845177,0.10088410664108012,0.12155181276129119
EOS-5-04017,c1ncc(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)ncn2)cn1,BASKTBQIBVUUIQ-UHFFFAOYSA-N,5,1,0.344,60,869,478.545,3.452,6,0.368,0.66,1.0,0.10829449660749778,0.08908745116852855,0.2135991364539785,0.1857309300253581,0.14917800356384073
EOS-5-04018,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnccn5)cn4)n23)cc1F,KTXWGERROLGYJC-UHFFFAOYSA-N,5,1,0.392,86,845,413.376,1.943,5,0.472,0.75,1.0,0.18533685148379136,0.20878452470701117,0.30023644712494,0.282108834212871,0.2441166643821534
EOS-5-04019,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cccn4)nn3)n12,UHZBADRCOUNLGE-UHFFFAOYSA-N,5,1,0.305,60,84,485.512,2.714,6,0.363,0.66,1.0,0.1710129531903228,0.17759235144952368,0.12165889932149955,0.13866424508258515,0.1522321122609828
EOS-5-04020,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ncnn5)ncn4)n23)ccc1-c1nnco1,GPZOQGBPIHDITK-UHFFFAOYSA-N,5,1,0.284,60,644,483.456,0.905,6,0.324,0.66,1.0,0.18534541840860805,0.060508189980124735,0.03111507093413748,0.015317661572202042,0.07307158522376807
EOS-5-04021,COc1cc(-c2nnc3cncc(CNC(=O)C(N)=O)n23)ccc1-c1cscn1,SBRAREIXMVGLEC-UHFFFAOYSA-N,5,1,0.408,5,966,409.431,1.025,4,0.47,0.79,1.0,0.3559899938318141,0.11429991090398191,0.021417312041669523,0.005482831882667398,0.12429751216503324
EOS-5-04022,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)ccc1-c1ccnnc1,NPRQFAUKIYLHED-UHFFFAOYSA-N,5,1,0.396,5,966,415.457,2.673,5,0.516,0.86,1.0,0.22682646837091358,0.02447570420121993,0.025666506750736756,0.05787814406140772,0.0837117058460695
EOS-5-04023,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)ccc1-c1cnoc1,XOINMYOMLYFTAY-UHFFFAOYSA-N,5,1,0.333,60,149,480.492,2.72,6,0.346,0.66,1.0,0.13561441984785141,0.06826982386402577,0.2966469056267562,0.18573949695017478,0.17156766157220205
EOS-5-04024,O=C(NC1CC1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1F,RLMVQHHKHSOGMQ-UHFFFAOYSA-N,5,1,0.323,0,188,408.824,3.538,5,0.558,0.9,1.0,0.29158385306010554,0.3350866972791447,0.41831437187307247,0.6232437804125831,0.41705717565622646
EOS-5-04025,COc1cc(-c2nnc3cncc(CNC(=O)C(=O)N4CCCC4)n23)ccc1-c1nccs1,VRHFHCLULUNGFS-UHFFFAOYSA-N,5,1,0.4,5,966,463.523,2.162,5,0.451,0.89,1.0,0.09347371667466246,0.005731272702350764,0.000359810842300048,0.00022274004523336303,0.02494688506613666
EOS-5-04026,Fc1nc(-c2ccc(-n3ccnn3)nc2)ccc1-c1nnc2cncc(CNC3CCC3)n12,WERGKAFGXGMUPZ-UHFFFAOYSA-N,5,1,0.29,78,830,442.462,2.61,6,0.4,0.77,1.0,0.05165855664450689,0.09201733945582893,0.03763450071962168,0.11890034953053252,0.07505268658762251
EOS-5-04027,COc1c(-c2nccs2)ccc(-c2nnc3cncc(CNC4CCC4)n23)c1F,FZMCKMRMIGNSBR-UHFFFAOYSA-N,5,1,0.35,5,830,410.478,3.705,5,0.522,0.75,1.0,0.29446233979850595,0.1495613734493866,0.07190219998629292,0.16152936741827154,0.16936382016311424
EOS-5-04028,C#CCOCC1CCN(CCc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)c4)n23)C1,NRROQDHRVCFKKW-UHFFFAOYSA-N,5,1,0.465,5,123,474.59,3.438,5,0.272,0.65,0.999,0.11638167363443218,0.010691522171201425,0.025675073675553422,0.09481015694606264,0.06188960660681242
EOS-5-04029,O=C(Nc1cccc(F)c1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)(F)F)cc4F)n23)cc1,CAKQRDPYNMHAGJ-UHFFFAOYSA-N,5,1,0.479,83,504,495.411,6.008,5,0.31,0.85,1.0,0.394858131725036,0.656980330340621,0.994868412034816,0.9907220204235487,0.7593572236310053
EOS-5-04030,COc1cc(-c2nnc3cncc(CNCCC4CCCO4)n23)ccc1-c1cnsc1,FCRZKQPZSSXOGJ-UHFFFAOYSA-N,5,1,0.356,5,741,436.541,3.582,5,0.423,0.59,1.0,0.09348228359947913,0.005191556438900692,0.05585634980467411,0.12122198615584949,0.06893804399972586
EOS-5-04031,COc1cc(-c2nnc3cncc(CNCC4CCCO4)n23)ccc1-c1cscn1,FFEVOEIGAWKBIL-UHFFFAOYSA-N,5,1,0.356,5,743,422.514,3.192,5,0.489,0.64,1.0,0.15478719758755397,0.0047803440477006374,0.06755876910424234,0.1094852991570146,0.08415290247412789
EOS-5-04032,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)ccc1-c1cccnc1,QBFLZAQFVNHWAA-UHFFFAOYSA-N,5,1,0.41,5,966,414.469,3.278,5,0.52,0.87,1.0,0.23787780138441506,0.03530429716948804,0.03904804331437187,0.0948187238708793,0.10176221643478857
EOS-5-04033,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)ccc1-c1cccnn1,ZLGLHBKPMJEYIM-UHFFFAOYSA-N,5,1,0.388,5,966,415.457,2.673,5,0.516,0.86,1.0,0.21299945171681173,0.03531286409430471,0.015626070865602082,0.03586971420738812,0.07495202522102666
EOS-5-04034,CCCCCN(Cc1cncc2nnc(-c3ccc(-c4ncsn4)c(OC)c3)n12)C(=O)CO,AXEZJAUOBYCROD-UHFFFAOYSA-N,5,1,0.432,5,741,467.555,2.83,4,0.354,0.69,1.0,0.0934908505242958,0.008309917072167775,0.003272565279967103,0.0017647865122335687,0.02670952984716606
EOS-5-04035,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(F)s1,XZHBZUHUSVHEOQ-UHFFFAOYSA-N,5,1,0.367,5,743,409.49,4.31,5,0.514,0.86,1.0,0.32760777191419366,0.15724590500993763,0.22393941470769652,0.3736035912548831,0.2705991707216777
EOS-5-04036,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(C#N)nn1,RGMFRXXDMPIOFJ-UHFFFAOYSA-N,5,1,0.348,5,741,412.457,2.771,5,0.514,0.79,1.0,0.26709101500925225,0.07902131450894387,0.092454252621479,0.16929100130217256,0.15196439586046193
EOS-5-04038,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4OC)n23)cc1,KDXHKCVVDROPNM-UHFFFAOYSA-N,5,1,0.5,62,504,496.502,4.218,5,0.364,0.86,1.0,0.5255979713522034,0.4968388047426496,0.672812007401823,0.4588616270303612,0.5385276026317593
EOS-5-04039,CCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)CC1,RWVYYQSQAJVGNN-UHFFFAOYSA-N,5,1,0.352,5,123,463.611,3.887,5,0.425,0.87,1.0,0.09829689534644644,0.0035724076485504764,0.004703241724350627,0.02013227331916935,0.03167620450962923
EOS-5-04040,c1cc(CNCc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nc(-n2cncn2)c1,GKSULZBSPOWBIK-UHFFFAOYSA-N,5,1,0.32,60,663,467.522,2.575,6,0.377,0.73,0.967,0.07542320608594338,0.02666883695428689,0.08046912480296073,0.06719039133712562,0.06243788979507915
EOS-5-04041,COc1cc(-c2nnc3cncc(CNC(=O)CCCCC(F)(F)F)n23)ccc1-c1cncs1,DAWLFORGXXWDRY-UHFFFAOYSA-N,5,1,0.408,5,966,490.511,4.662,4,0.343,0.77,1.0,0.2833424713864711,0.2645723391131519,0.4077856212733877,0.3347268864368446,0.32260682955246384
EOS-5-04042,CCN1CCC(NCc2cncc3nnc(-c4ccc(-c5ccsn5)c(OC)c4)n23)CC1,PCPBKTKNIWTYMN-UHFFFAOYSA-N,5,1,0.343,5,123,449.584,3.497,5,0.462,0.83,1.0,0.08623466520457816,0.003923651566033856,0.007016311424850936,0.028844835857720512,0.031504866013295864
EOS-5-04043,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1cnc(C)s1,OZOZZHMICADVKW-UHFFFAOYSA-N,5,1,0.378,5,741,436.541,3.5,5,0.495,0.87,1.0,0.09594099102186279,0.003580974573367144,0.040470152833938726,0.0654684394489754,0.05136513946953602
EOS-5-04044,Fc1cc(-c2cccnn2)ccc1-c1nnc2cncc(CNCc3cc(-c4cncnc4)ncn3)n12,JPSZMSORKOKWTR-UHFFFAOYSA-N,5,1,0.291,60,869,491.494,2.924,6,0.355,0.6,1.0,0.30215543828387365,0.3257316153793434,0.36679288602563226,0.35391679802618053,0.33714918442875746
EOS-5-04045,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cncn4)nn3)n12,DQTQEYPWFUJCSG-UHFFFAOYSA-N,5,1,0.308,60,663,485.512,2.714,6,0.363,0.66,0.306,0.16296861078747174,0.17760091837434033,0.18284387636214106,0.202573504214927,0.18149672743472003
EOS-5-04046,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)NC5CCc6ccccc65)cc4)n23)cc1F,RVPARBWCHZUCSU-UHFFFAOYSA-N,5,1,0.414,62,504,492.514,4.114,6,0.383,0.79,1.0,0.3536854910561305,0.3109451031457748,0.702496401891577,0.637970324172435,0.5012743300664793
EOS-5-04047,Fc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1nccs1,WAXYJSNYKJXDML-UHFFFAOYSA-N,5,1,0.321,60,663,484.524,3.319,6,0.367,0.73,1.0,0.13562298677266807,0.19942087588239327,0.23861455691864847,0.23774073058734838,0.20284978754026453
EOS-5-04048,COc1cc(-c2nnc3cncc(CNCc4nnccc4-n4cccn4)n23)ccc1-c1ccoc1,ZIJYNISBSZOFOF-UHFFFAOYSA-N,5,1,0.306,60,84,479.504,3.325,6,0.35,0.65,1.0,0.13292440545541773,0.03532143101912138,0.23862312384346515,0.19129943115619216,0.1495420978685491
EOS-5-04049,c1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cnn1,XTWBWXUXKFOIAO-UHFFFAOYSA-N,5,1,0.513,58,981,402.443,2.721,5,0.427,0.68,1.0,0.5931995750805291,0.5516242889452402,0.17643581659927352,0.16153793434308822,0.37069940374203275
EOS-5-04050,Fc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1ncsn1,QETNFYMPOBWGHV-UHFFFAOYSA-N,5,1,0.33,60,663,485.512,2.714,6,0.363,0.68,1.0,0.15756288122815434,0.19476903570694262,0.15705743266397093,0.1638852717428552,0.16831865533548077
EOS-5-04051,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1ccon1,LQJAMKLDIRHWAV-UHFFFAOYSA-N,5,1,0.29,60,644,482.468,1.51,6,0.333,0.69,1.0,0.17102152011513946,0.0322801727092043,0.0804776917277774,0.04967103008703996,0.08336260365979027
EOS-5-04052,COc1cc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)ccc1C(N)=O,DKNKWUGJTONJHB-UHFFFAOYSA-N,5,1,0.376,0,21,456.506,3.192,5,0.493,0.91,1.0,0.07963813309574395,0.005739839627167432,0.004968816393667329,0.010854293742718114,0.025300270714824203
EOS-5-04053,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)n23)nc1,KREUCJCDYSFYHT-UHFFFAOYSA-N,5,1,0.321,0,825,434.45,4.033,5,0.487,0.79,1.0,0.05845212802412446,0.07208210540744295,0.10736926872729764,0.29703241724350626,0.13373397985059282
EOS-5-04054,c1ncc(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)ncn2)cn1,ULEYWUSHBJDQDF-UHFFFAOYSA-N,5,1,0.32,94,869,479.533,2.847,6,0.364,0.57,1.0,0.11065040093208142,0.08594338976081146,0.13576862449455143,0.1142742101295319,0.11165915632924406
EOS-5-04055,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ncsn5)cn4)n23)ccn1,UOJSMPBZEUJOFR-UHFFFAOYSA-N,5,1,0.358,85,920,406.406,2.818,5,0.411,0.65,1.0,0.3584401343293811,0.4388749914330752,0.27479268041943666,0.2730021931327531,0.3362774998286615
EOS-5-04056,OCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ccsn4)c(F)c3)n12,GTURPACIDYQZQE-UHFFFAOYSA-N,5,1,0.348,78,75,410.478,2.772,5,0.487,0.53,1.0,0.25144781029401686,0.23379994517168118,0.5104773490507847,0.6205708998697828,0.4040740010965664
EOS-5-04057,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(-c2nncn2C)cc1F,SLALJZMMSYCAIY-UHFFFAOYSA-N,5,1,0.282,78,830,483.555,3.992,6,0.374,0.73,0.994,0.14930436570488656,0.11430847782879858,0.057655404016174354,0.14600609965046946,0.11681858680008224
EOS-5-04058,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1nnco1,QMGLLOOBGABBSN-UHFFFAOYSA-N,5,1,0.305,60,84,480.492,2.72,6,0.346,0.7,1.0,0.12440031526283325,0.07209067233225962,0.24562230141868274,0.13867281200740184,0.14519652525529436
EOS-5-04059,COc1cc(-c2nnc3cncc(CNCc4cccnc4-c4ccco4)n23)ccc1-c1ccncn1,PXLNTMAMYNUHAS-UHFFFAOYSA-N,5,1,0.319,60,217,490.527,4.202,6,0.335,0.68,1.0,0.34462168460009596,0.11139572339113152,0.41445068878075525,0.3032948392844904,0.2934407340141183
EOS-5-04060,CCCCC(=O)NCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,XUJWBSNKTMKRPH-UHFFFAOYSA-N,5,1,0.388,5,966,422.514,3.73,4,0.465,0.9,1.0,0.13563155369748475,0.008318483996984443,0.018855801521485846,0.00930368035090124,0.04302737989171407
EOS-5-04061,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3cncc(-n4ccnc4)n3)n12,ALZPJSMICPJODB-UHFFFAOYSA-N,5,1,0.287,60,84,485.512,2.714,6,0.363,0.64,1.0,0.1629771777122884,0.1648876019464053,0.17326605441710644,0.1831437187307244,0.17106863820163115
EOS-5-04062,Fc1cccc(COc2cncc3nnc(-c4ccnc(-c5csnn5)c4)n23)n1,FLZRBBOSZPQOTD-UHFFFAOYSA-N,5,1,0.529,24,486,406.406,2.818,5,0.411,0.68,1.0,0.3652080049345487,0.41184634363648825,0.2858183126584881,0.2970409841683229,0.33997841134946194
EOS-5-04063,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1cnoc1,HFWDRCOVMMMRKC-UHFFFAOYSA-N,5,1,0.297,60,149,480.492,2.72,6,0.346,0.61,1.0,0.13293297238023438,0.05287505996847372,0.2706034541840861,0.16929956822698924,0.15642776368994585
EOS-5-04064,COc1cc(-c2nnc3cncc(CNCc4ccnc(OC(F)F)c4)n23)ccc1-c1nccs1,KFHAVGMKUSKZCL-UHFFFAOYSA-N,5,1,0.352,60,257,495.515,4.21,5,0.325,0.74,1.0,0.4700243300664793,0.42093585086697277,0.6891234322527585,0.5157374408882187,0.5239552635186073
EOS-5-04065,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cccnc1OC,ZNPHKHBFZXXDRZ-UHFFFAOYSA-N,5,1,0.346,5,741,416.485,3.513,5,0.493,0.93,1.0,0.19359536700705915,0.022154067575902953,0.0996933040915633,0.12123055308066616,0.1091683229387979
EOS-5-04066,COc1cc(-c2nnc3cncc(CNC(=O)CC4CC4)n23)ccc1-c1cccnc1,UKCZCBSBDASKQS-UHFFFAOYSA-N,5,1,0.41,5,966,414.469,3.278,5,0.499,0.86,1.0,0.22399081625659653,0.03831985470495511,0.06547700637379206,0.12123912000548283,0.11225669933520663
EOS-5-04067,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNCc3cc(-n4cccn4)ncn3)n12,KKNMSDXVPLHJSA-UHFFFAOYSA-N,5,1,0.286,60,644,485.512,2.714,6,0.363,0.65,1.0,0.160124391748338,0.1688026865876225,0.15104345144267015,0.15602083476115414,0.1589978411349462
EOS-5-04068,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ncc(C#N)n1C,WRDOLBBRHPHJQK-UHFFFAOYSA-N,5,1,0.352,5,741,414.473,2.714,5,0.517,0.81,1.0,0.22111232951819615,0.041977931601672264,0.05586491672949078,0.105013364402714,0.10599213556301831
EOS-5-04069,Cn1ncc(-n2cccc2)c1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3)n12,KXANHPWNUFXWMO-UHFFFAOYSA-N,5,1,0.319,60,84,468.55,3.124,6,0.384,0.62,1.0,0.07346138030292647,0.026677403879103556,0.09705469124802961,0.09094647385374546,0.07203498732095127
EOS-5-04070,COc1cc(-c2nnc3cncc(CNC4CCN(C(C)=O)CC4)n23)ccc1-c1nccs1,QCOPTGAVVIQJCM-UHFFFAOYSA-N,5,1,0.354,5,741,463.567,3.024,5,0.469,0.9,1.0,0.08387019395517785,0.0057484065519841,0.0032811322047837706,0.005285792611884038,0.024546381330957438
EOS-5-04071,O=C(NCc1cscn1)c1ccc(-c2nnc3cncc(CNCc4cncc(Cl)c4)n23)cc1,ZWVLSMXSLQMSNB-UHFFFAOYSA-N,5,1,0.448,14,357,490.98,3.516,5,0.342,0.73,1.0,0.30491398807484066,0.22909670344733055,0.3002450140497567,0.2555170995819341,0.2724432012884655
EOS-5-04072,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5csnn5)cc4F)n23)C1,CQAFLOMIQZORQT-UHFFFAOYSA-N,5,1,0.32,78,830,419.489,3.34,5,0.5,0.66,0.997,0.11065896785689809,0.0920259063806456,0.3186981701048592,0.5056027688301008,0.25674645329312595
EOS-5-04073,COc1cc(-c2nnc3cncc(CNC(=O)C(C)F)n23)ccc1-c1cccnn1,QKKBXUMJGZHSLI-UHFFFAOYSA-N,5,1,0.42,5,966,407.409,2.231,4,0.522,0.62,1.0,0.3559985607566308,0.2854156671921047,0.2748012473442533,0.14822493317798643,0.2661101021177438
EOS-5-04074,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cncs5)c(OC)c4)n23)C1,ZIVZOYQUJWAJDW-UHFFFAOYSA-N,5,1,0.359,5,741,464.595,4.218,5,0.397,0.58,1.0,0.08176273045027757,0.00754746076348434,0.10213487766431362,0.1940322801727092,0.09636933726269618
EOS-5-04075,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccc(-n4ccnc4)nn3)n12,GGXMEONMCCXKPD-UHFFFAOYSA-N,5,1,0.291,60,84,485.512,2.714,6,0.363,0.65,0.998,0.1657956959769721,0.14956994037420326,0.1697878829415393,0.17475669933520663,0.16497755465698033
EOS-5-04076,CCc1ncc(COc2cncc3nnc(-c4cc(F)cc(F)c4F)n23)c(C)n1,AKGDTPCZDJJNIM-UHFFFAOYSA-N,5,1,0.494,90,555,400.364,3.448,4,0.478,0.77,1.0,0.7142073881159618,0.7905301213076554,0.6122010143238983,0.5871855938592283,0.676031029401686
EOS-5-04077,CCCCCCCCc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12,SLBSQFWLNPEOTB-UHFFFAOYSA-N,5,1,0.394,78,830,410.522,5.352,4,0.348,0.77,1.0,0.20761942293194435,0.3545678843122473,0.018864368446302515,0.09283119731341238,0.16847071825097665
EOS-5-04078,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1nc[nH]n1,UVROQMDKXGQKQS-UHFFFAOYSA-N,5,1,0.279,60,644,480.496,1.85,6,0.33,0.63,1.0,0.12719313275306696,0.05288362689329038,0.12420327599204989,0.06379788910972517,0.0920194811870331
EOS-5-04079,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4cc(-n5ccnn5)cnn4)n23)cc1F,XBZVYZOQQMABHF-UHFFFAOYSA-N,5,1,0.283,60,84,482.487,1.991,6,0.363,0.6,1.0,0.11364025769309849,0.14190254266328559,0.16979644986635598,0.16389383866767185,0.14730827222260298
EOS-5-04080,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)n23)nc1,QUULNFCTTYGCDC-UHFFFAOYSA-N,5,1,0.318,0,825,445.433,3.596,5,0.478,0.8,1.0,0.04402542663285587,0.08909601809334522,0.19955794667945995,0.44622541292577617,0.19472620108285932
EOS-5-04081,c1cc(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)ccn1,PBGAWJIQIHNFSP-UHFFFAOYSA-N,5,1,0.327,28,297,477.557,4.057,6,0.367,0.75,1.0,0.1007042012199301,0.04919128229730656,0.3259372215749435,0.28790007538893836,0.19093319512027962
EOS-5-04082,Cn1nc(-c2nnc3cncc(OCc4ccncc4F)n23)cc1-c1cncs1,CWYKMSCZWMLSQB-UHFFFAOYSA-N,5,1,0.425,95,694,408.422,2.761,5,0.441,0.62,0.949,0.32239908162565967,0.23940271400178192,0.267253786580769,0.26754506202453565,0.27415016105818657
EOS-5-04083,CCN1CCC(NCc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)c4)n23)CC1,GDXANFYSYFUVIG-UHFFFAOYSA-N,5,1,0.343,5,123,449.584,3.497,5,0.462,0.9,1.0,0.07964670002056062,0.003932218490850525,0.005380028784867384,0.01818758138578576,0.026786632170516075
EOS-5-04084,COc1cc(-c2nnc3cncc(CNC(O)C(C)=O)n23)ccc1-c1nccs1,IPVVQXMAHKPKIW-UHFFFAOYSA-N,5,1,0.382,5,743,410.459,1.92,4,0.444,0.61,1.0,0.2915924199849222,0.12064800219313275,0.26726235350558564,0.11663868137893221,0.1990353642656432
EOS-5-04085,CNC(=O)c1ccc(-c2nnc3cncc(CNc4cc(-c5nncn5C)ncn4)n23)cc1,LGTQIVZYNCBZSU-UHFFFAOYSA-N,5,1,0.352,74,333,441.459,1.348,5,0.399,0.74,1.0,0.07346994722774312,0.007556027688301007,0.03764306764443835,0.009989034336234666,0.03216451922417929
EOS-5-04086,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1)N1CCCCC1,ZXGDUORZPPJXTO-UHFFFAOYSA-N,5,1,0.363,0,825,418.888,4.133,5,0.5,0.9,1.0,0.0983054622712631,0.13832156808991844,0.004977383318483997,0.08357035158659448,0.081293691316565
EOS-5-04087,CCOC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5ncsn5)c(OC)c4)n23)C1,CGHDRMWADUYQEJ-UHFFFAOYSA-N,5,1,0.336,5,741,479.566,3.14,5,0.38,0.53,1.0,0.15479576451237065,0.0062538551161675,0.020671989582619423,0.02885340278253718,0.052643752998423686
EOS-5-04088,COc1cc(-c2nnc3cncc(CNCC4CCOCC4)n23)ccc1-c1cscn1,QMBQABOADIIHCX-UHFFFAOYSA-N,5,1,0.427,5,743,436.541,3.44,5,0.475,0.83,1.0,0.09594955794667946,0.0018076211363169078,0.027825371804537043,0.07664827633472689,0.05055770680556508
EOS-5-04091,CCc1nc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1ccc(C#N)nn1,ACIXTMXIMRFBCK-UHFFFAOYSA-N,5,1,0.292,78,878,441.499,2.346,5,0.479,0.63,0.903,0.07731649647042697,0.00520012336371736,0.012105064765951613,0.03796861078747173,0.03314757384689192
EOS-5-04092,c1cc(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nn2)ccn1,HQHDGVRKSMDJCL-UHFFFAOYSA-N,5,1,0.333,60,869,478.545,3.452,6,0.368,0.7,1.0,0.10585292303474744,0.05289219381810705,0.16034713179357138,0.15091494757042012,0.1175017990542115
EOS-5-04093,OCc1csc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)n1,AEQBGQZHGGZWPD-UHFFFAOYSA-N,5,1,0.375,78,830,410.478,3.188,5,0.508,0.87,1.0,0.2646151737372353,0.17760948529915702,0.07610856007127681,0.2256785004454801,0.1860029298882873
EOS-5-04094,CCCCCC(=O)NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,HVPNYPQIMOFDQM-UHFFFAOYSA-N,5,1,0.365,78,793,426.481,3.04,4,0.34,0.66,1.0,0.0654941402234254,0.08595195668562813,0.004480501679117264,0.005054485641834007,0.0402452710575012
EOS-5-04095,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)nc3F)n12,VXFUWRYFTZGACB-UHFFFAOYSA-N,5,1,0.376,78,634,413.438,2.02,4,0.482,0.79,1.0,0.18814680282365842,0.14957850729901995,0.045002056061956,0.024073058734836544,0.10170010622986773
EOS-5-04096,COc1cc(-c2nnc3cncc(CNC4CCC(C(F)(F)F)CC4)n23)ccc1-c1ncsn1,PDYZNQDQDXOXME-UHFFFAOYSA-N,5,1,0.375,5,741,489.527,4.529,5,0.426,0.61,1.0,0.27255671304228635,0.1572544719347543,0.43688746487560826,0.5356555410869714,0.3505885477349051
EOS-5-04097,Fc1ccc(Cc2cncc3nnc(-c4ccc(-c5cscn5)nc4F)n23)nc1,IOEKGAXCDOTTAH-UHFFFAOYSA-N,5,1,0.354,85,81,407.409,3.574,5,0.424,0.61,1.0,0.3100027414159413,0.40237132478925364,0.49630765540401617,0.5519926667123569,0.440168597080392
EOS-5-04098,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1)N1CCOCC1,GGJKRIGHMDPPJE-UHFFFAOYSA-N,5,1,0.464,0,825,420.86,2.979,5,0.506,0.92,1.0,0.09595812487149613,0.08910458501816187,0.018872935371119184,0.11664724830374888,0.08014572339113152
EOS-5-04099,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5nncs5)cn4)n23)ccn1,JRVBUIDJWDIDQB-UHFFFAOYSA-N,5,1,0.337,85,920,406.406,2.818,5,0.411,0.66,1.0,0.3470118566239463,0.42991398807484066,0.2894249880063053,0.28790864231375507,0.33856486875471187
EOS-5-04100,N#Cc1ncc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F,FMNQYARXVYICHY-UHFFFAOYSA-N,5,1,0.699,90,400,394.797,3.472,4,0.515,0.76,1.0,0.9929836885751491,0.9944743334932493,0.8454184086080461,0.8668100198752656,0.9249216126379275
EOS-5-04101,COc1cc(-c2nnc3cncc(CNCC4CCOC4)n23)ccc1-c1cscn1,LRRDJXPUTKDWBJ-UHFFFAOYSA-N,5,1,0.412,5,743,422.514,3.05,5,0.49,0.61,1.0,0.13815879651840177,0.003940785415667192,0.06354088136522514,0.10502193132753067,0.07766559865670619
EOS-5-04102,COc1cc(-c2nnc3cncc(CNCC4CCCO4)n23)ccc1-c1cnsn1,BDLURXFNQKNBGC-UHFFFAOYSA-N,5,1,0.35,5,75,423.502,2.587,5,0.484,0.55,1.0,0.13016585566445069,0.00394935234048386,0.03369371530395449,0.06380645603454184,0.05790384483585771
EOS-5-04103,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1cccs1,YMKMJUIPHBLMFN-UHFFFAOYSA-N,5,1,0.381,5,743,421.526,3.797,5,0.511,0.88,1.0,0.14072887396340208,0.005756973476800768,0.09032965526694538,0.16657528613528888,0.10084769721060928
EOS-5-04104,Fc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnn5)cc4)n23)ccc1-c1nccs1,MXGDHCBGPIPKNH-UHFFFAOYSA-N,5,1,0.316,60,84,483.536,3.924,6,0.367,0.71,1.0,0.11639024055924885,0.16104105270372146,0.4827290795695977,0.45887019395517786,0.3047576416969365
EOS-5-04105,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1cnoc1,NEWDVGSSWHUXHC-UHFFFAOYSA-N,5,1,0.297,60,644,482.468,1.51,6,0.333,0.58,1.0,0.15204578164622026,0.04198649852648893,0.10214344458913029,0.06719895826194229,0.09084367075594543
EOS-5-04106,CC(F)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,VFWZBNSWXJSQET-UHFFFAOYSA-N,5,1,0.63,90,473,398.829,3.887,4,0.49,0.69,0.999,0.8381879240627784,0.9043417174970872,0.6784062093071072,0.6232523473373998,0.7610470495510931
EOS-5-04107,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)s4)n23)c(F)c1,UKTAQXRXUROSJA-UHFFFAOYSA-N,5,1,0.51,62,504,490.495,4.41,5,0.38,0.8,0.999,0.23519635391679802,0.3451442670139127,0.5968062504283462,0.5021674319786169,0.41982857583441846
EOS-5-04108,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(CNCc3cc(-n4nccn4)ncn3)n12,AIQMRQZXCIALKU-UHFFFAOYSA-N,5,1,0.296,60,869,485.512,2.714,6,0.363,0.57,0.993,0.14931293262970324,0.16881125351243917,0.17960557878144062,0.19950654513055993,0.17430907751353575
EOS-5-04109,COc1cc(-c2nnc3cncc(CNCc4cccc(NC(C)=O)c4)n23)ccc1-c1nccs1,OAQDUVQTSUADJY-UHFFFAOYSA-N,5,1,0.38,14,257,485.573,4.172,5,0.34,0.82,1.0,0.207627989856761,0.049199849222123226,0.3002535809745734,0.1212476869302995,0.1695822767459393
EOS-5-04110,c1cn(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6ccsc6)nc5)n34)ncn2)cn1,DTOOWPFJKLFODI-UHFFFAOYSA-N,5,1,0.299,60,869,466.534,3.18,6,0.382,0.71,0.999,0.06745596600644232,0.01677403879103557,0.18612500856692482,0.16154650126790487,0.1079753786580769
EOS-5-04111,c1cn(-c2cnnc(CNCc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)c2)cn1,NVHNEASMUGPSHH-UHFFFAOYSA-N,5,1,0.305,60,869,467.522,2.575,6,0.377,0.54,1.0,0.07145671989582619,0.01387841820300185,0.11578198889726543,0.10089267356589679,0.07550245014049756
EOS-5-04112,CCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5ccsn5)c(OC)c4)n23)CC1,VPZPRMSSPFIPGA-UHFFFAOYSA-N,5,1,0.352,5,123,463.611,3.887,5,0.425,0.81,1.0,0.08177129737509424,0.003589541498183812,0.004489068603933932,0.02014084024398602,0.0274976869302995
EOS-5-04113,CCOCC(=O)NCc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12,ITGMMIXEQZQXDR-UHFFFAOYSA-N,5,1,0.373,78,634,413.438,2.102,4,0.462,0.71,1.0,0.18815536974847508,0.13107394969501748,0.03230587348365431,0.021717154410252897,0.09331308683434994
EOS-5-04114,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3cc(-n4cccn4)ncn3)n12,BOFRYTXSTZVXPG-UHFFFAOYSA-N,5,1,0.286,60,869,484.524,3.319,6,0.367,0.62,1.0,0.1356401206223014,0.1495870742238366,0.2277002947022137,0.2290881365225139,0.18550390651771642
EOS-5-04115,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC5)cc4)n23)nc1F,DFNMCRQVHMOJEH-UHFFFAOYSA-N,5,1,0.34,0,825,431.431,2.327,5,0.495,0.91,0.995,0.0602511822356247,0.049208416146939896,0.0044976355287505996,0.01646562949763553,0.032605715852237684
EOS-5-04116,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)cc4)n23)cc1,NWGIYBYCPNRXSI-UHFFFAOYSA-N,5,1,0.4,0,21,440.507,3.573,5,0.522,0.92,1.0,0.06550270714824206,0.00977486121581797,0.0028099513398670414,0.011394010006168185,0.022370382427523816
EOS-5-04117,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)C1CCCC1,CIWCCTGWSQYRKS-UHFFFAOYSA-N,5,1,0.376,78,793,424.465,2.65,5,0.49,0.7,1.0,0.06949489411280926,0.08596052361044479,0.0021674319786169557,0.011788088547734905,0.04235273456240148
EOS-5-04118,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1ncc[nH]1,AGSZHMNWASVETI-UHFFFAOYSA-N,5,1,0.286,60,644,480.496,1.85,6,0.33,0.73,0.978,0.13017442258926737,0.026685970803920225,0.1157905558220821,0.06381502295935851,0.08411649304365704
EOS-5-04119,c1cn(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nn2)cn1,XUPVMVVAAUQYEN-UHFFFAOYSA-N,5,1,0.33,60,869,467.522,2.575,6,0.377,0.64,0.999,0.067464532931259,0.018281817558769103,0.08289356452607773,0.07075423206085943,0.05984853676924131
EOS-5-04120,COC(=O)C(C)NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,OBTSAJIYMUWQGA-UHFFFAOYSA-N,5,1,0.323,78,793,414.426,1.495,4,0.369,0.54,0.982,0.14622883969570283,0.1733345898156398,0.05766397094099102,0.02595778219450346,0.10079629566170928
EOS-5-04121,Fc1nc(-c2ncc(Cl)cn2)ccc1-c1nnc2cncc(CNC3CCC3)n12,KAVOSGFFQSZWPK-UHFFFAOYSA-N,5,1,0.319,78,830,410.844,3.078,5,0.505,0.83,1.0,0.22955075046261395,0.20879309163182783,0.040478719758755395,0.21153450757316153,0.17258926735658967
EOS-5-04122,COc1cc(-c2nnc3cncc(NC4CCC(O)CC4)n23)ccc1-c1cscn1,UVGUUMFSROEWLA-UHFFFAOYSA-N,5,1,0.402,5,743,422.514,3.639,5,0.507,0.76,1.0,0.1601329586731547,0.0006082516619834145,0.08786238091974505,0.16155506819272153,0.10253966486190116
EOS-5-04123,Cn1cncc1-c1ccc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)cc1,JREKHYIQELUUFL-UHFFFAOYSA-N,5,1,0.31,60,644,464.497,1.852,6,0.376,0.73,0.996,0.06747309985607566,0.01153964772805154,0.12688472345966692,0.09283976423822904,0.0746843088205058
EOS-5-04124,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5ccnn5)c4)n23)ccc1-c1cnco1,JFOVHDVJLCUJLL-UHFFFAOYSA-N,5,1,0.306,60,149,480.492,2.72,6,0.346,0.69,1.0,0.11639880748406552,0.05675587691042423,0.26004043588513465,0.16390240559248853,0.14927438146802824
EOS-5-04125,CCCCCCCCc1cncc2nnc(-c3ccc(-c4nccs4)c(CC)n3)n12,IVPQXGMHHWXXCT-UHFFFAOYSA-N,5,1,0.333,78,878,420.586,5.775,4,0.304,0.7,0.142,0.07965526694537729,0.12065656911794942,0.002021794256733603,0.003238297580700432,0.05139298197519018
EOS-5-04126,CCc1nc(-c2nnc3cncc(CNC(=O)CO)n23)ccc1-c1ccc(C#N)nn1,SSFIEBBYURJLES-UHFFFAOYSA-N,5,1,0.305,78,753,415.417,0.686,4,0.462,0.67,0.994,0.17945994105955726,0.0567644438352409,0.02888767048180385,0.016474196422452198,0.07039656294976354
EOS-5-04127,COc1cc(-c2nnc3cncc(CNC4CCCCC4)n23)ccc1-c1cscn1,HBQIPBKBYCHZBA-UHFFFAOYSA-N,5,1,0.367,5,741,420.542,4.346,5,0.5,0.83,1.0,0.14358165992735247,0.0062624220409841684,0.01262764717976835,0.06547700637379206,0.05698718388047427
EOS-5-04128,c1cn(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6nccs6)cc5)n34)cn2)cn1,UTXMBMCWULBPKB-UHFFFAOYSA-N,5,1,0.34,60,217,465.546,3.785,6,0.383,0.67,1.0,0.06025974916044137,0.024484271126036596,0.3074754985950243,0.25229593585086696,0.16112886368309232
EOS-5-04129,CCNC(=O)c1ccc(-c2nnc3cncc(CNCc4cc(-c5ccncc5)nn4C)n23)cc1,AUGBTMGTYORYSP-UHFFFAOYSA-N,5,1,0.364,52,416,467.537,2.626,5,0.36,0.75,1.0,0.06026831608525804,0.03228873963402097,0.11869474333493249,0.05344904393119046,0.0661752107463505
EOS-5-04130,Fc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cnnn5)c4)n23)ccc1-c1nccs1,RHRKJUDSSOGANU-UHFFFAOYSA-N,5,1,0.317,60,84,485.512,2.714,6,0.363,0.66,1.0,0.1462374066205195,0.16881982043725585,0.22066684942772943,0.22909670344733055,0.19120519498320884
EOS-5-04131,Fc1cc(-c2ccnnc2)ccc1-c1nnc2cncc(CNCc3cc(-n4ccnn4)ncn3)n12,MFSDEFIRPGSBOQ-UHFFFAOYSA-N,5,1,0.27,60,644,480.471,2.048,6,0.361,0.6,1.0,0.08857343567952848,0.12066513604276609,0.2386316907682818,0.2523045027756836,0.175043691316565
EOS-5-04132,COc1cc(-c2nnc3cncc(CNCC4CCCCC4)n23)ccc1-c1nccs1,QKUGPQRVGWHYEC-UHFFFAOYSA-N,5,1,0.394,5,741,434.569,4.593,5,0.458,0.89,1.0,0.07543177301076005,0.005765540401617435,0.0053885957096840515,0.03683777671167158,0.03085592145843328
EOS-5-04133,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(F)c2F)cs1,LZOHYLUPPPVWOB-UHFFFAOYSA-N,5,1,0.326,78,830,412.469,4.144,5,0.534,0.87,1.0,0.20193098485367691,0.14959564114865329,0.21025803577547802,0.42110718936330616,0.24572296278527858
EOS-5-04134,O=C(Cc1cscn1)Nc1ccc(-c2nnc3cncc(CCC4CCCCO4)n23)cc1Cl,MMXOSVTUJARDTH-UHFFFAOYSA-N,5,1,0.374,78,345,482.997,4.584,5,0.414,0.7,0.999,0.10586148995956411,0.15726303885957096,0.02256527996710301,0.11665581522856555,0.1005864060037009
EOS-5-04135,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5nccs5)nn4)n23)ccn1,FPSXZARWEAZUDS-UHFFFAOYSA-N,5,1,0.326,54,920,406.406,2.818,5,0.411,0.65,0.98,0.34702042354876295,0.4118549105613049,0.19273010760057568,0.2115430744979782,0.2907871290521554
EOS-5-04136,CCCN(CCC)Cc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,GQRTZVIKOZONSP-UHFFFAOYSA-N,5,1,0.427,5,743,422.558,4.545,4,0.394,0.8,1.0,0.10071276814474676,0.022162634500719623,0.018007675964635733,0.01532622849701871,0.03905232677678021
EOS-5-04137,C#Cc1cccc(NC(=O)c2ccc(-c3cncc4nnc(-c5ccc(C(=O)NC)cc5F)n34)cc2)c1,IMODGLBBLINTDZ-UHFFFAOYSA-N,5,1,0.406,62,504,490.498,4.191,5,0.36,0.84,1.0,0.24061921732574876,0.31095367007059144,0.7693783839353026,0.6232609142622164,0.4860530463984648
EOS-5-04138,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccccc5)nc4)n23)ccc1-c1cnco1,YNCYCTGEIZKQIC-UHFFFAOYSA-N,5,1,0.363,12,149,489.539,4.807,6,0.325,0.79,1.0,0.27497258584058665,0.12432321293948324,0.5871598930847783,0.4742392570762799,0.365173737235282
EOS-5-04139,Clc1cc(CCOc2cncc3nnc(-c4ccc(-c5nncn5-c5ccccn5)nc4)n23)ccn1,GHGOORHUBTYCRI-UHFFFAOYSA-N,5,1,0.462,6,578,496.922,3.499,6,0.305,0.65,1.0,0.5025957782194503,0.5329483928449044,0.27480981426907,0.30986567061887466,0.40505491398807486
EOS-5-04140,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(C#N)c5)cc4)n23)cc1F,XPGQNHYTKYYYGO-UHFFFAOYSA-N,5,1,0.43,62,504,491.486,4.081,5,0.382,0.87,1.0,0.2833510383112878,0.30073332876430675,0.7762147899390035,0.6495785072990199,0.5024694160784045
EOS-5-04141,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1ccon1,FRCQCAKYMRCZLD-UHFFFAOYSA-N,5,1,0.308,60,217,479.504,3.325,6,0.35,0.68,1.0,0.10830306353231443,0.0419950654513056,0.3632804468507984,0.23469090535261464,0.18706737029675827
EOS-5-04142,COc1cc(-c2nnc3cncc(CNC(=O)C4CCOCC4)n23)ccc1-c1cscn1,YPVPOSJRTJMJSS-UHFFFAOYSA-N,5,1,0.423,5,966,450.524,2.966,5,0.482,0.86,1.0,0.08387876087999452,0.0011308340758001507,0.013672812007401823,0.026831608525803578,0.03137850387225002
EOS-5-04143,CCc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2OC)cs1,XJIPMZVBLCPRGV-UHFFFAOYSA-N,5,1,0.363,5,741,420.542,4.128,5,0.484,0.87,1.0,0.13018298951408402,0.010700089096018094,0.022573846891919675,0.046929614145706254,0.05259663491193202
EOS-5-04144,Cn1nccc1-c1ccc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)cn1,KSBBKSJIHWHKAN-UHFFFAOYSA-N,5,1,0.282,60,663,464.497,1.852,6,0.376,0.7,0.987,0.05846069494894113,0.022171201425536288,0.07406963196490987,0.048266054417106435,0.05074189568912343
EOS-5-04145,NC(=O)c1ccc(-c2nnc3cncc(-c4cnc(-c5cnc(F)cn5)cn4)n23)cc1,ZOQDUIMIGDJXPO-UHFFFAOYSA-N,5,1,0.451,74,845,413.376,1.943,5,0.472,0.82,1.0,0.16580426290178876,0.1688283873620725,0.2784593242409705,0.2346994722774313,0.21194786169556576
EOS-5-04146,COc1cc(-c2nnc3cncc(CNC4CCNCC4)n23)ccc1-c1cscn1,DZUAAAPWEMGYPJ-UHFFFAOYSA-N,5,1,0.348,5,743,421.53,2.765,5,0.495,0.77,1.0,0.14359022685216916,0.0032554314303337674,0.02446713727640326,0.05629326297032417,0.05690151463230759
EOS-5-04147,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)n23)cc1,AKZNGPFSZJTOLL-UHFFFAOYSA-N,5,1,0.479,0,21,417.444,3.378,5,0.511,0.93,1.0,0.11640737440888219,0.10824309505859776,0.07191076691110959,0.21723151257624562,0.1284481872387088
EOS-5-04148,COc1cc(-c2nnc3cncc(CNC(=O)Cc4ccc(Cl)nc4)n23)ccc1-c1cnsc1,ACBVOKVSMJYJOU-UHFFFAOYSA-N,5,1,0.415,14,257,491.964,3.831,5,0.345,0.62,1.0,0.30726132547460766,0.2854242341169214,0.38582002604345145,0.3219536015351929,0.32511479679254335
EOS-5-04149,N#Cc1ccc(-c2nnc3cncc(Cc4ccc(F)c(-n5cncn5)n4)n23)c(F)c1,CLHFFKDTSVBSML-UHFFFAOYSA-N,5,1,0.366,85,81,415.367,2.508,5,0.443,0.61,1.0,0.09349941744911247,0.28543280104173807,0.6093225275854979,0.6609125488314714,0.41229182372695494
EOS-5-04150,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3cc(-n4nccn4)ncn3)n12,UVKFEUNNMOLQJU-UHFFFAOYSA-N,5,1,0.291,60,869,485.512,2.714,6,0.363,0.57,1.0,0.1493214995545199,0.1456291549585361,0.12421184291686656,0.1320762798985676,0.13780969433212253
EOS-5-04151,COc1cc(-c2nnc3cncc(CNCC4CCCO4)n23)ccc1-c1ccsn1,XJFAFSNHZLJVPI-UHFFFAOYSA-N,5,1,0.356,5,743,422.514,3.192,5,0.489,0.61,1.0,0.12440888218764992,0.005208690288534028,0.06167329175519155,0.10717222945651429,0.07461577342197244
EOS-5-04152,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1ncc[nH]1,KRDSNFVDFUOCBW-UHFFFAOYSA-N,5,1,0.279,60,644,479.508,2.456,6,0.337,0.67,0.999,0.11364882461791516,0.02669453772873689,0.1960797752038928,0.11428277705434857,0.11267647865122336
EOS-5-04153,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5nccs5)cn4)n23)ccn1,JTVKXKRCLLXGEL-UHFFFAOYSA-N,5,1,0.376,14,920,405.418,3.423,5,0.414,0.76,1.0,0.3745116852854499,0.45642862038242754,0.39689705983140294,0.37676478651223355,0.4011505380028785
EOS-5-04154,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cn[nH]5)ncn4)n23)ccc1-c1cnsn1,USCUOWCVCQHJJA-UHFFFAOYSA-N,5,1,0.295,60,644,486.525,1.912,6,0.327,0.52,1.0,0.2019395517784936,0.08596909053526146,0.08544650812144472,0.04693818107052292,0.10507333287643068
EOS-5-04155,COc1cc(-c2nnc3cncc(CNC4CCCC4)n23)ccc1-c1cnc(C)s1,BQQOGWFUKXZUCI-UHFFFAOYSA-N,5,1,0.352,5,741,420.542,4.264,5,0.502,0.86,1.0,0.13294153930505107,0.00832705092180111,0.022582413816736344,0.06223870879309163,0.056522428209170035
EOS-5-04156,CCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsn5)c(OC)c4)n23)CC1,QTLGIYOLKMKXBF-UHFFFAOYSA-N,5,1,0.346,5,123,464.599,3.282,5,0.425,0.73,1.0,0.07966383387019396,0.0029384552121170583,0.0028185182646837093,0.010374545952984716,0.02394883832499486
EOS-5-04157,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4nncc(C)n4)cc3F)n12,RNCNPBRZIWEYCU-UHFFFAOYSA-N,5,1,0.402,78,753,408.397,1.353,4,0.508,0.83,1.0,0.310011308340758,0.22404221780549655,0.07407819888972654,0.05089610033582345,0.16475695634295115
EOS-5-04158,COc1nnccc1-c1ccc(-c2nnc3cncc(CNC4CCC4)n23)cc1F,CYQLNMLZYRNFPL-UHFFFAOYSA-N,5,1,0.346,78,830,405.437,3.038,5,0.527,0.76,1.0,0.4305136728120074,0.2854413679665547,0.11280069906106505,0.23470803920224795,0.2658659447604688
EOS-5-04159,COc1cc(-c2nnc3cncc(CNC4CCNCC4)n23)ccc1-c1ccsc1,XWESBWQNXXIJAY-UHFFFAOYSA-N,5,1,0.356,5,741,420.542,3.37,5,0.498,0.77,1.0,0.1435987937769858,0.004411966280583921,0.0635494482900418,0.14103728325680215,0.08814937290110342
EOS-5-04161,CCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)c4)n23)CC1,HTLSPKRHRRUGLT-UHFFFAOYSA-N,5,1,0.352,5,123,463.611,3.887,5,0.425,0.87,1.0,0.07732506339524364,0.002947022136933726,0.003692344595983826,0.013261599616201767,0.02430650743609074
EOS-5-04162,Clc1cc(-c2csnn2)ccc1-c1nnc2cncc(CCC3CCCC3)n12,FDYUKRFAXUYLEB-UHFFFAOYSA-N,5,1,0.385,78,830,410.934,5.086,5,0.458,0.76,1.0,0.17103008703995615,0.35457645123706394,0.014983551504351997,0.2702607771914194,0.20271271674319788
EOS-5-04163,c1nc(CNCc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)cc(-n2cncn2)n1,ZNDHRLHCMOUBDL-UHFFFAOYSA-N,5,1,0.305,60,869,468.51,1.97,6,0.37,0.64,0.981,0.062041669522308274,0.01990096634911932,0.0539973271194572,0.04297169488040573,0.04472791446782263
EOS-5-04164,COc1cc(-c2nnc3cncc(CNCC4CCCC4)n23)ccc1-c1cscn1,KAQWWVKQCYMOJW-UHFFFAOYSA-N,5,1,0.398,5,743,420.542,4.203,5,0.483,0.83,1.0,0.13295010622986772,0.006930642176684257,0.014992118429168666,0.07472071825097663,0.057398396271674326
EOS-5-04165,CCNC(=O)c1ccc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)cc1,BHWGTMYDLJJHJJ-UHFFFAOYSA-N,5,1,0.361,60,416,455.486,1.201,5,0.353,0.72,0.98,0.053123500788157085,0.015300527722568708,0.03370228222877116,0.012225001713384963,0.02858782811322048
EOS-5-04166,COc1cc(-c2nnc3cncc(CNCC4CCCO4)n23)ccc1-c1ccsc1,HKSJQMNQMOGVDK-UHFFFAOYSA-N,5,1,0.364,5,75,421.526,3.797,5,0.489,0.69,1.0,0.12147899390034952,0.006939209101500925,0.14785655541086973,0.2291052703721472,0.12634500719621686
EOS-5-04167,COc1cc(-c2nnc3cncc(CNCC4CCCO4)n23)ccc1-c1nccs1,FSESGMQMYVHWNS-UHFFFAOYSA-N,5,1,0.356,5,743,422.514,3.192,5,0.489,0.71,1.0,0.11905455417723254,0.005217257213350696,0.04501062298677267,0.07855013364402715,0.06195814200534576
EOS-5-04168,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)ccc1-c1ncc[nH]1,QGIXNEQMRMGFPU-UHFFFAOYSA-N,5,1,0.299,60,663,480.496,1.85,6,0.33,0.7,0.907,0.1214875608251662,0.024492838050853265,0.09246281954629566,0.05489685422520732,0.07333501816188062
EOS-5-04169,COc1cc(-c2nnc3cncc(CNC4CCNCC4)n23)ccc1-c1cncs1,XUNYAVCXHAVCIH-UHFFFAOYSA-N,5,1,0.356,5,741,421.53,2.765,5,0.495,0.76,1.0,0.12720169967788364,0.005774107326434103,0.027833938729353712,0.0622472757179083,0.05576425536289494
EOS-5-04170,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ccsn5)nn4)n23)ccn1,LOKUHGLBNPPJET-UHFFFAOYSA-N,5,1,0.326,54,920,406.406,2.818,5,0.411,0.63,0.98,0.34228291412514567,0.39258789664861904,0.2386402576930985,0.26755362894935236,0.3102661743540539
EOS-5-04171,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNCc3nnccc3-n3cccn3)n12,NGAZKPZVCSZKTC-UHFFFAOYSA-N,5,1,0.294,60,84,485.512,2.714,6,0.363,0.66,1.0,0.13816736344321842,0.16104961962853814,0.11579912274689877,0.14332465218285245,0.13958518950037696
EOS-5-04172,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5OC)cc4)n23)c(F)c1,XVSRCSMEFWSNGJ-UHFFFAOYSA-N,5,1,0.416,62,504,496.502,4.218,5,0.364,0.88,1.0,0.47520731958056334,0.49684737166746623,0.6534764580906038,0.4211157562881228,0.511661726406689
EOS-5-04173,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ncco4)c(F)c3)n12,GYWDNRLGJLXILC-UHFFFAOYSA-N,5,1,0.347,78,75,408.437,2.958,5,0.479,0.61,0.996,0.3021640052086903,0.2240507847303132,0.4792851757932972,0.5188986361455692,0.3810996504694675
EOS-5-04174,c1nc(CNCc2cncc3nnc(-c4ccc(-c5nccs5)nc4)n23)cc(-n2cnnc2)n1,XHZMKFNWAXDWLF-UHFFFAOYSA-N,5,1,0.311,60,869,468.51,1.97,6,0.37,0.57,1.0,0.05487115345075732,0.03532999794393804,0.050185045576040026,0.03684634363648825,0.044308135151805914
EOS-5-04175,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3cc(-n4cnnn4)ncn3)n12,QRZGCPJBFVYHDA-UHFFFAOYSA-N,5,1,0.295,60,644,486.5,2.109,6,0.357,0.62,1.0,0.16014152559797135,0.15727160578438765,0.1327702008087177,0.15092351449523678,0.15027671167157836
EOS-5-04176,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5cncs5)nn4)n23)ccn1,YGUUYTJUXVGOCU-UHFFFAOYSA-N,5,1,0.33,54,920,406.406,2.818,5,0.411,0.57,0.975,0.3327136591049277,0.41186347748612157,0.27061202110890276,0.28512439174833804,0.3250783873620725
EOS-5-04177,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1cscn1,DJSAWNOGEAVXIU-UHFFFAOYSA-N,5,1,0.381,5,743,422.514,3.192,5,0.511,0.79,1.0,0.1356486875471181,0.0018161880611335755,0.04836885751490645,0.09284833116304571,0.06967051607155095
EOS-5-04179,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)CC5)cc4)n23)cc1,MLIWYKMEXKQNAS-UHFFFAOYSA-N,5,1,0.388,0,901,415.472,4.341,5,0.499,0.92,1.0,0.14624597354533617,0.09842539921869646,0.08545507504626139,0.28211740113768763,0.1530609622369954
EOS-5-04180,c1cnc(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nn2)cn1,YZKPSXBCGNDPPV-UHFFFAOYSA-N,5,1,0.337,70,869,479.533,2.847,6,0.364,0.71,1.0,0.0959666917963128,0.05290076074292372,0.08290213145089438,0.07855870056884381,0.07758207113974369
EOS-5-04181,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(C#N)c5)cc4)n23)c(F)c1,HILSGZPGPPSMRM-UHFFFAOYSA-N,5,1,0.439,62,504,491.486,4.081,5,0.382,0.85,1.0,0.25930368035090123,0.340004112123912,0.7762233568638202,0.6436416284010692,0.5047931944349257
EOS-5-04182,COc1cc(-c2nnc3cncc(CNCC(=O)N4CCCC4)n23)ccc1-c1ccsn1,YNCFPPRSLCTZJH-UHFFFAOYSA-N,5,1,0.415,5,743,449.54,2.635,5,0.463,0.78,1.0,0.06950346103762593,0.0022702350764169693,0.0011565348502501542,0.0020389281063669384,0.018742289767664996
EOS-5-04183,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3cc(-n4cccn4)ncn3)n12,LHFQWHNERIWODG-UHFFFAOYSA-N,5,1,0.282,60,644,485.512,2.714,6,0.363,0.63,1.0,0.1436073607018025,0.14563772188335275,0.16035569871838803,0.16658385306010554,0.1540461585909122
EOS-5-04184,Cn1ccc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6cccn6)nn5)n34)c(F)c2)n1,WENRHVXPURXKKU-UHFFFAOYSA-N,5,1,0.287,60,84,481.499,2.596,6,0.37,0.61,1.0,0.07733363032006031,0.164896168871222,0.2067541635254609,0.19404084709752586,0.16075620245356725
EOS-5-04185,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccnc5)cc4)n23)c(F)c1F,VGOCLAKRJPPPFI-UHFFFAOYSA-N,5,1,0.359,62,504,485.454,3.743,5,0.392,0.8,1.0,0.12441744911246659,0.19031423480227538,0.6891319991775752,0.5387482009457885,0.3856529710095264
EOS-5-04186,CCc1nc(-c2nnc3cncc(Cc4ccc(C(=O)NC5CC5)nc4)n23)ccc1-c1ccccn1,PINLDMQNXJZBMJ-UHFFFAOYSA-N,5,1,0.349,52,647,476.544,3.689,6,0.381,0.77,0.146,0.08388732780481119,0.024501404975669935,0.041917963127955586,0.05630182989514084,0.05165213145089439
EOS-5-04187,COc1cc(-c2nnc3cncc(CNCc4cnc(=NC(C)=O)[nH]c4)n23)ccc1-c1cscn1,RUSMEPLVTRLLAZ-UHFFFAOYSA-N,5,1,0.31,5,257,487.549,2.384,5,0.357,0.42,1.0,0.21855081899801249,0.08911315194297854,0.09706325817284628,0.02505825508875334,0.10744637105064767
EOS-5-04188,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cnnn5)nc4)n23)ccc1-c1nc[nH]n1,CMUICCQBZYRCHK-UHFFFAOYSA-N,5,1,0.307,60,644,481.484,1.245,6,0.322,0.65,1.0,0.11906312110204921,0.04564457542320609,0.08546364197107806,0.04561030772393942,0.07394541155506819
EOS-5-04189,COc1cc(-c2nnc3cncc(CNCc4cccc(NC(C)=O)c4)n23)ccc1-c1cncs1,HZEAELYYACAVJI-UHFFFAOYSA-N,5,1,0.387,14,257,485.573,4.172,5,0.34,0.78,1.0,0.19103385648687546,0.042003632376122264,0.3668014529504489,0.1693081351518059,0.19228676924131313
EOS-5-04190,COc1cc(-c2nnc3cncc(CNCC4CCCO4)n23)ccc1-c1cncs1,XHZUVKKNCGIWSM-UHFFFAOYSA-N,5,1,0.364,5,75,422.514,3.192,5,0.489,0.62,1.0,0.10587005688438078,0.008335617846617778,0.07408676581454321,0.11890891645534919,0.07680033925022274
EOS-5-04191,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cncn4)nc3)n12,FDOUVUNRQNRPDG-UHFFFAOYSA-N,5,1,0.319,60,869,485.512,2.714,6,0.363,0.73,1.0,0.13019155643890068,0.1688369542868892,0.2168974025083956,0.20556336097594408,0.18037231855253238
EOS-5-04192,COc1cc(-c2nnc3cncc(CNCC4CCOCC4)n23)ccc1-c1cncs1,BQEZHIVFEXWZJM-UHFFFAOYSA-N,5,1,0.436,5,75,436.541,3.44,5,0.475,0.84,1.0,0.0695120279624426,0.0035981084230004797,0.03112363785895415,0.08357891851141114,0.04695317318895209
EOS-5-04194,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1ccoc1,DPFNTWISVDJCMU-UHFFFAOYSA-N,5,1,0.297,60,644,481.48,2.115,6,0.341,0.58,1.0,0.13020012336371736,0.022179768350352957,0.1449009663491193,0.10503049825234734,0.10057783907888423
EOS-5-04195,CCCCN(Cc1cncc2nnc(-c3ccc(-c4cnsc4)c(OC)c3)n12)C(=O)COC,ICWVWYSTFSPGSC-UHFFFAOYSA-N,5,1,0.396,5,741,466.567,3.699,4,0.352,0.62,1.0,0.06378075526009183,0.008344184771434445,0.013681378932218491,0.010383112877801384,0.02404735796038654
EOS-5-04196,CCCCN(Cc1cncc2nnc(-c3ccc(-c4nncs4)c(OC)c3)n12)C(C)=O,SQIFPHSLYQEOID-UHFFFAOYSA-N,5,1,0.409,5,741,437.529,3.467,4,0.416,0.77,1.0,0.0584692618737578,0.009783428140634638,0.005705571927900761,0.002141731204166952,0.01902499828661504
EOS-5-04197,CC1CC1CNCc1cncc2nnc(-c3ccc(-c4nccs4)c(Cl)c3)n12,YAKDOENHSUQPCV-UHFFFAOYSA-N,5,1,0.344,78,75,410.934,4.314,5,0.512,0.54,1.0,0.20194811870331025,0.22405935165512988,0.4585103831128778,0.5811373449386609,0.36641379960249465
EOS-5-04198,O=C(NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12)C1(F)CC1,VMJZFEXIIWNANZ-UHFFFAOYSA-N,5,1,0.394,78,634,413.413,2.567,5,0.505,0.71,1.0,0.14361592762661915,0.19942944280720992,0.03231444040847097,0.13635117538208485,0.12792774655609623
EOS-5-04199,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CCCC3CCCC3)n12,UEQRPRCWCMZDEP-UHFFFAOYSA-N,5,1,0.381,78,830,408.506,4.962,5,0.451,0.78,1.0,0.24592214378726612,0.36415427318209853,0.009894798163251319,0.19130799808100885,0.2028198033034062
EOS-5-04200,COc1cc(-c2nnc3cncc(CNCC4CCOC4)n23)ccc1-c1ncsn1,XWCUIYQZFXJMKR-UHFFFAOYSA-N,5,1,0.421,5,75,423.502,2.445,5,0.484,0.59,1.0,0.11365739154273181,0.002955589061750394,0.020680556507436092,0.040478719758755395,0.04444306421766842
EOS-5-04201,c1cn(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)ncn2)cn1,FFNMZBGOSNBYHH-UHFFFAOYSA-N,5,1,0.305,60,869,467.522,2.575,6,0.377,0.63,1.0,0.05487972037557398,0.022188335275169627,0.10490199438009733,0.08184839969844425,0.0659546124323213
EOS-5-04202,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1sc(C)nc1C,XZQRNZMWPYVKEW-UHFFFAOYSA-N,5,1,0.36,5,741,420.542,4.182,5,0.504,0.86,1.0,0.12442601603728326,0.0075645946131176756,0.02447570420121993,0.04179802618052224,0.04956608525803578
EOS-5-04203,CCC(CC)C(=O)NCc1cncc2nnc(-c3ccc(-c4ccsc4)nc3C)n12,QDODHFDCTDSOLP-UHFFFAOYSA-N,5,1,0.37,78,753,420.542,4.276,4,0.482,0.7,1.0,0.09127201699677884,0.05290932766774039,0.040487286683572064,0.02971866218902063,0.053596823384277986
EOS-5-04204,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3cc(-n4cncn4)ncn3)n12,QTCHLBJOWRSETN-UHFFFAOYSA-N,5,1,0.286,60,644,485.512,2.714,6,0.363,0.65,0.999,0.1329586731546844,0.1572801727092043,0.1732746213419231,0.17211808649167296,0.15890788842437117
EOS-5-04205,COc1cc(-c2nnc3cncc(CNCC4CCOCC4)n23)ccc1-c1ccsn1,JCECSJXGFLQLQW-UHFFFAOYSA-N,5,1,0.427,5,743,436.541,3.44,5,0.475,0.78,1.0,0.07347851415255979,0.0022788020012336372,0.02568364060037009,0.0747292851757933,0.04404256048248921
EOS-5-04206,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1cnoc1,ZOYIYOBQCBBQSC-UHFFFAOYSA-N,5,1,0.321,60,149,479.504,3.325,6,0.35,0.63,1.0,0.0912805839215955,0.05677301076005757,0.4183229387978891,0.27923034747447056,0.21140172023850318
EOS-5-04207,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)C1CCOC1,NFKZLGSLDXTOQG-UHFFFAOYSA-N,5,1,0.392,78,793,426.437,1.497,5,0.477,0.56,1.0,0.06551127407305873,0.03229730655883764,0.007401823041600987,0.020149407168802688,0.03133995271057501
EOS-5-04208,COc1cc(-c2nnc3cncc(CNC4CCC(c5ccccc5)C4)n23)ccc1-c1cncs1,AXNKSEWGOLCJHE-UHFFFAOYSA-N,5,1,0.38,52,257,482.613,5.349,6,0.337,0.5,1.0,0.1436244945514358,0.022196902199986292,0.48638715646631486,0.5157460078130355,0.2919886402576931
EOS-5-04209,c1cncc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)c1,HRDLSCQYEUNKPX-UHFFFAOYSA-N,5,1,0.568,24,56,401.455,3.326,5,0.431,0.75,1.0,0.6185748063874992,0.57496915907066,0.2633986704132685,0.24058494962648208,0.42438189637447743
EOS-5-04210,CCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5cncs5)c(OC)c4)n23)CC1,QUVJGLRDCBNFQE-UHFFFAOYSA-N,5,1,0.359,5,123,463.611,3.887,5,0.425,0.84,1.0,0.0637893221849085,0.005782674251250771,0.00539716263450072,0.023370570899869783,0.024584932492632442
EOS-5-04211,CC(F)c1ncc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cn1,UKNLAZVVEIJBAW-UHFFFAOYSA-N,5,1,0.548,68,811,399.817,3.282,4,0.491,0.65,1.0,0.7327290795695977,0.7819888972654376,0.3482797614968131,0.32498629292029335,0.5469960078130354
EOS-5-04212,Fc1cc(-c2ccc(-c3nnc4cncc(CNCc5cc(-n6cncn6)ncn5)n34)cn2)ccn1,VCGNUTDMVUNAOF-UHFFFAOYSA-N,5,1,0.289,60,644,480.471,2.048,6,0.338,0.65,0.999,0.08624323212939483,0.08912171886779521,0.1995665136042766,0.18860084983894182,0.14088307861010213
EOS-5-04213,CCN(C)C(=O)c1cc(-c2ccc(-c3nnc4cncc(CC5CCOCC5)n34)cc2)cs1,AUGSAWOTAKYCAB-UHFFFAOYSA-N,5,1,0.472,5,829,461.591,4.581,5,0.42,0.82,1.0,0.051667123569323556,0.013886985127818519,0.013689945857035158,0.040487286683572064,0.029932835309437328
EOS-5-04214,COc1cc(-c2nnc3cncc(CNCc4ccnc(-c5ccncc5)c4)n23)ccc1-c1ccoc1,YUFTYTQEKFFAFQ-UHFFFAOYSA-N,5,1,0.324,60,149,489.539,4.807,6,0.325,0.67,1.0,0.2887996024946885,0.06460318004249195,0.6507950106229867,0.5356641080117881,0.3849654752929888
EOS-5-04215,O=C(NCc1cncc2nnc(-c3ccc(-c4cscn4)cc3Cl)n12)C1CC1,RVVCFYYPXOVSPQ-UHFFFAOYSA-N,5,1,0.408,78,753,410.89,3.594,5,0.543,0.87,1.0,0.20195668562812694,0.21869645671989582,0.06548557329860873,0.2435833733123158,0.18243052223973683
EOS-5-04216,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4csnc4C)nc3F)n12,HBWVFIZPMHAVOG-UHFFFAOYSA-N,5,1,0.382,78,753,413.438,2.02,4,0.482,0.66,1.0,0.16015009252278803,0.14191110958810224,0.050193612500856695,0.030583921595504077,0.09570968405181277
EOS-5-04217,COc1cc(-c2nnc3cncc(CNC4CCC5SCCC5C4)n23)ccc1-c1nccs1,HEOMBOSYBZFINT-UHFFFAOYSA-N,5,1,0.339,5,741,478.647,4.687,6,0.431,0.49,1.0,0.11366595846754848,0.008352751696251114,0.059565828250291275,0.21155164142279487,0.09828404495922144
EOS-5-04218,Fc1nc(-c2ncccn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cccn4)nn3)n12,VUJAGHVGCLYTID-UHFFFAOYSA-N,5,1,0.292,60,84,480.471,2.048,6,0.338,0.65,0.999,0.07734219724487698,0.11140429031594819,0.06756733602905901,0.06720752518675896,0.0808803371941608
EOS-5-04219,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5ccsc5)c(OC)c4)n23)CC1,MDUFQIMTAIDREU-UHFFFAOYSA-N,5,1,0.366,5,741,477.634,5.213,5,0.357,0.79,1.0,0.10335138098828045,0.00895243643341786,0.07840449592214378,0.23774929751216503,0.10711440271400177
EOS-5-04220,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cscn5)c(OC)c4)n23)CC1,FVGKYMFAWLYPAR-UHFFFAOYSA-N,5,1,0.359,5,741,478.622,4.608,5,0.376,0.78,1.0,0.11907168802686588,0.005791241176067439,0.034970187101637996,0.1297632101980673,0.07239908162565965
EOS-5-04221,OCc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(F)c2)cs1,BAAPJCCQJXJBDP-UHFFFAOYSA-N,5,1,0.341,78,830,410.478,3.188,5,0.508,0.79,1.0,0.2295593173874306,0.17761805222397367,0.07409533273935988,0.23182955246384757,0.17827556370365294
EOS-5-04222,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)C(=O)N1CCOCC1,DMXYZRBOEULVPK-UHFFFAOYSA-N,5,1,0.394,78,793,469.462,0.319,5,0.33,0.7,1.0,0.0567901446096909,0.02220546912480296,0.00016277157151668836,0.00015420464670002056,0.01982814748817764
EOS-5-04223,Clc1ccc(-c2nnc3cncc(OCc4cccc(-n5nccn5)n4)n23)cn1,KPCQHDOPACCZEF-UHFFFAOYSA-N,5,1,0.483,55,390,405.809,2.394,5,0.41,0.62,1.0,0.32005174422589266,0.510057569734768,0.18613357549174148,0.22281714755671303,0.3097650092522788
EOS-5-04224,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccc(F)cc5)o4)n23)c(F)c1F,FQOHMHTULLVJJQ-UHFFFAOYSA-N,5,1,0.426,96,26,492.417,4.081,5,0.382,0.77,0.994,0.26709958193406896,0.4023798917140703,0.7575388938386677,0.6551641422794874,0.5205456274415736
EOS-5-04225,OCc1csc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(F)c2)n1,IVPNHQVMMMLIEZ-UHFFFAOYSA-N,5,1,0.341,78,830,410.478,3.188,5,0.508,0.8,1.0,0.22956788431224728,0.17334315674045644,0.07410389966417655,0.2228257144815297,0.1749601637996025
EOS-5-04226,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cncn4)nn3)n12,ZBUYIDRLYKXJDG-UHFFFAOYSA-N,5,1,0.287,60,663,486.5,2.109,6,0.357,0.63,0.741,0.14625454047015282,0.16490473579603865,0.09247138647111233,0.10718079638133096,0.12770286477965867
EOS-5-04227,Fc1cccc(COc2cncc3nnc(-c4cncc(-c5csnn5)c4)n23)n1,AQJJYDMUZOPHTE-UHFFFAOYSA-N,5,1,0.477,2,875,406.406,2.818,5,0.411,0.7,1.0,0.3250291275443767,0.3925964635734357,0.3404495922143787,0.34439037763004593,0.35061639024055924
EOS-5-04228,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3ccc(-n4nccn4)nn3)n12,SJSIGVDAXQQDND-UHFFFAOYSA-N,5,1,0.314,60,84,485.512,2.714,6,0.363,0.61,1.0,0.1272102666027003,0.15728873963402099,0.09707182509766295,0.11429134397916524,0.12396554382838737
EOS-5-04229,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1ncc[nH]1,SSILEWOTDDZKNS-UHFFFAOYSA-N,5,1,0.3,60,149,478.52,3.061,6,0.342,0.71,1.0,0.08858200260434515,0.02670310465355356,0.32961243232129395,0.20557192790076073,0.16261736686998834
EOS-5-04230,COc1cc(-c2nnc3cncc(CNCC4CCS(=O)(=O)C4)n23)ccc1-c1ccsn1,FGHDZTMROISCKP-UHFFFAOYSA-N,5,1,0.371,5,743,470.58,2.448,5,0.438,0.64,1.0,0.07146528682064286,0.006947776026317593,0.004043588513467206,0.027893907203070386,0.02758763964087451
EOS-5-04231,c1cnn(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)nn2)c1,CKPCPSCBNSOXBR-UHFFFAOYSA-N,5,1,0.32,60,84,467.522,2.575,6,0.377,0.71,0.999,0.05313206771297375,0.01990953327393599,0.059574395175107944,0.05345761085600713,0.04651840175450621
EOS-5-04232,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)ncc1F,FWOOGMKFMAWFQA-UHFFFAOYSA-N,5,1,0.33,78,830,407.428,3.477,5,0.546,0.88,1.0,0.3327222260297444,0.22406791857994654,0.1510520183674868,0.33794805016791174,0.26144755328627234
EOS-5-04233,Fc1cncnc1COc1cncc2nnc(-c3ccnc(-c4ncccn4)c3)n12,AIEHHUORPSIGOG-UHFFFAOYSA-N,5,1,0.477,7,420,401.365,2.151,5,0.436,0.6,1.0,0.6413371256253855,0.532956959769721,0.2102666027002947,0.19951511205537661,0.39601895003769444
EOS-5-04234,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4F)n23)nc1,UJXIWSLNHMHTDU-UHFFFAOYSA-N,5,1,0.324,0,825,481.438,2.963,5,0.479,0.78,0.627,0.07967240079501062,0.12783565211431705,0.11870331025974916,0.2792389143992872,0.15136256939209103
EOS-5-04235,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)C1(F)CC1,LLKNORZNDOBCAE-UHFFFAOYSA-N,5,1,0.386,78,793,414.401,1.962,5,0.497,0.61,1.0,0.12443458296209993,0.16884552121170585,0.015000685353985334,0.0835874854362278,0.09796706874100473
EOS-5-04236,O=C(NCc1cncc2nnc(-c3ccc(-c4nncs4)cc3Cl)n12)C1CC1,LDRWZWGDFFYGGV-UHFFFAOYSA-N,5,1,0.404,78,753,411.878,2.989,5,0.542,0.84,1.0,0.1710386539647728,0.2039613460352272,0.024484271126036596,0.12350078815708314,0.13074626482077992
EOS-5-04237,COc1cc(-c2nnc3cncc(CNCC4CCCC4)n23)ccc1-c1ncsn1,LFDDEEGQBBXCBH-UHFFFAOYSA-N,5,1,0.407,5,741,421.53,3.598,5,0.488,0.74,1.0,0.11066753478171476,0.005799808100884107,0.004985950243300665,0.02596634911932013,0.03685491056130492
EOS-5-04238,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3cc(-n4cnnn4)ncn3)n12,IEZGKXLTWZXIGL-UHFFFAOYSA-N,5,1,0.295,60,644,486.5,2.109,6,0.357,0.63,1.0,0.14933006647933658,0.15351072578987046,0.10491056130491398,0.11891748338016586,0.13166720923857173
EOS-5-04239,O=C(NCc1cncc2nnc(-c3ccc(-c4c[nH]nn4)cc3F)n12)C(F)(F)F,BAFKWMYSTPHEDP-UHFFFAOYSA-N,5,1,0.406,68,233,406.303,1.894,4,0.501,0.62,1.0,0.33028065245699406,0.38808169419505173,0.8162651634569255,0.7337742443972312,0.5671004386265506
EOS-5-04240,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnn5)nn4)n23)ccc1-c1cocn1,UNDKQUIGGPOKMZ-UHFFFAOYSA-N,5,1,0.298,60,84,481.48,2.115,6,0.341,0.66,1.0,0.10072133506956343,0.06461174696730862,0.09970187101637996,0.06382358988417518,0.0822146357343568
EOS-5-04241,COc1cc(-c2nnc3cncc(CNC4CCN(CCC#N)CC4)n23)ccc1-c1nncs1,ATEGUNXZOYGRHQ-UHFFFAOYSA-N,5,1,0.327,5,123,475.582,2.786,5,0.41,0.78,1.0,0.0885905695291618,0.006956342951134261,0.004240627784250566,0.021725721335069562,0.030378315399904047
EOS-5-04242,Cc1nc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6cncn6)nc5)n34)cc2)cs1,JKUOMPBVIMOBEQ-UHFFFAOYSA-N,5,1,0.327,60,663,480.561,3.489,6,0.37,0.78,1.0,0.10335994791309712,0.03533856486875471,0.1960883421287095,0.1433332191076691,0.1195300185045576
EOS-5-04243,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1ncc(C)s1,DVJITZHHFCIHFE-UHFFFAOYSA-N,5,1,0.343,5,741,478.622,4.263,5,0.39,0.8,1.0,0.11067610170653143,0.006964909875950929,0.02142587896648619,0.08714275923514496,0.05655241244602838
EOS-5-04244,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3cccc(-n4ncnn4)n3)n12,MUTVHSFXUSINSP-UHFFFAOYSA-N,5,1,0.302,60,644,486.5,2.109,6,0.357,0.62,1.0,0.13565725447193475,0.18172160921115757,0.07611712699609348,0.09095504077856213,0.12111275786443698
EOS-5-04246,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ccsc5)nn4)n23)ccn1,YKDRRPTYJXMQIF-UHFFFAOYSA-N,5,1,0.33,54,920,405.418,3.423,5,0.414,0.71,0.975,0.3675553423343157,0.40702316496470425,0.4144592557055719,0.42734391062984034,0.4040954184086081
EOS-5-04247,COc1cc(-c2nnc3cncc(CNCC4CCOCC4)n23)ccc1-c1ncsn1,PQKRDIWXEWOYRP-UHFFFAOYSA-N,5,1,0.436,5,75,437.529,2.835,5,0.471,0.73,1.0,0.06748166678089233,0.0020474950311836063,0.009457884997601262,0.027902474127887055,0.026722380234391066
EOS-5-04248,COc1cc(-c2nnc3cncc(CNCC4CCCO4)n23)ccc1-c1nncs1,FCMGMPOIVIZWJV-UHFFFAOYSA-N,5,1,0.353,5,75,423.502,2.587,5,0.484,0.68,1.0,0.1007299019943801,0.00442053320540059,0.024492838050853265,0.04694674799533959,0.04414750531149339
EOS-5-04249,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4nncc(C)n4)c(F)c3)n12,WPDVLFSPQITRLA-UHFFFAOYSA-N,5,1,0.416,78,753,408.397,1.353,4,0.508,0.8,1.0,0.2944709067233226,0.1947776026317593,0.07411246658899322,0.05219827290795696,0.15388981221300801
EOS-5-04251,COc1cc(-c2nnc3cncc(CNCc4cc(-n5nccn5)ncn4)n23)ccc1-c1ncc[nH]1,IHWMMJKIUYNNGY-UHFFFAOYSA-N,5,1,0.284,60,644,480.496,1.85,6,0.33,0.68,0.994,0.10587862380919745,0.0245099719004866,0.08048625865259407,0.04421389897882256,0.06377218833527518
EOS-5-04252,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)ccc1-n1ccnc1,NOBZBAYHOIYMML-UHFFFAOYSA-N,5,1,0.282,60,644,479.508,2.251,6,0.35,0.66,1.0,0.11068466863134808,0.009791995065451305,0.16980501679117263,0.10090124049071346,0.09779573024467138
EOS-5-04253,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnn5)nn4)n23)ccc1-c1cnoc1,KLCCXUVFCMHNGA-UHFFFAOYSA-N,5,1,0.306,60,84,481.48,2.115,6,0.341,0.61,0.999,0.10073846891919677,0.05678157768487424,0.12422040984168323,0.08530087039956137,0.0917603317113289
EOS-5-04254,COc1cc(-c2nnc3cncc(CNCC4CCOC4)n23)ccc1-c1ccsn1,STNDXCPRQUVXJP-UHFFFAOYSA-N,5,1,0.412,5,743,422.514,3.05,5,0.49,0.61,1.0,0.1083116304571311,0.003957919265300528,0.05958296209992461,0.1030172709204304,0.06871744568569665
EOS-5-04255,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3cc(-n4cncn4)ncn3)n12,XFOYDDPPHYADDH-UHFFFAOYSA-N,5,1,0.278,60,644,486.5,2.109,6,0.357,0.61,0.833,0.1436330614762525,0.1610581865533548,0.11871187718456583,0.12350935508189981,0.13672812007401824
EOS-5-04256,CCc1ncc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2OC)s1,IRUPPJUQTXYLHZ-UHFFFAOYSA-N,5,1,0.363,5,741,420.542,4.128,5,0.484,0.86,1.0,0.11069323555616475,0.009800561990267973,0.024501404975669935,0.05090466726064012,0.04897496744568569
EOS-5-04257,CCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsc5)c(OC)c4)n23)CC1,RHOSHNZGZNJWCQ-UHFFFAOYSA-N,5,1,0.359,5,123,463.611,3.887,5,0.425,0.76,1.0,0.0602768830100747,0.004788910972517305,0.00637379206360085,0.030592488520320746,0.0255080186416284
EOS-5-04258,Cn1cncc1-c1cncc(-c2nnc3cncc(OCc4ncncc4F)n23)c1,QPZXOTMOQOWWFG-UHFFFAOYSA-N,5,1,0.429,7,905,403.381,2.095,5,0.439,0.74,0.996,0.48748372284284835,0.42539065177164004,0.32594578849976014,0.2821259680625043,0.38023653279418823
EOS-5-04259,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccncc5)nc4)n23)ccc1-c1cnco1,LHBCKJHHWUANJY-UHFFFAOYSA-N,5,1,0.343,60,149,490.527,4.202,6,0.335,0.71,1.0,0.29447947364813926,0.10162086217531355,0.5277825371804538,0.3896408745116853,0.32838093687889797
EOS-5-04260,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNCc3cc(-n4cnnn4)ncn3)n12,YHEATELAAQNBHY-UHFFFAOYSA-N,5,1,0.295,60,644,487.488,1.504,6,0.349,0.68,0.998,0.16581282982660545,0.16106675347817148,0.06355801521485847,0.07665684325954356,0.11677361044479476
EOS-5-04261,COc1cc(-c2nnc3cncc(CNCc4cccc(OC(F)F)n4)n23)ccc1-c1nncs1,BPEGHLDDYCYQPH-UHFFFAOYSA-N,5,1,0.364,60,41,496.503,3.605,5,0.327,0.68,1.0,0.4727229113837297,0.43460009594955795,0.5071105475978342,0.3638287300390652,0.44456557124254675
EOS-5-04262,Fc1ccc(-c2ccc(-c3nnc4cncc(CNCc5nc[nH]c5-n5nccn5)n34)nn2)cn1,ANLWILJTTQQBDJ-UHFFFAOYSA-N,5,1,0.257,53,766,469.448,1.376,6,0.328,0.62,0.99,0.04403399355767254,0.060516756904941404,0.03905661023918854,0.049679597011856626,0.04832173942841478
EOS-5-04263,COc1cc(-c2nnc3cncc(CNC(=O)C4CCOCC4)n23)ccc1-c1ccsn1,XUEOLWRENZHULX-UHFFFAOYSA-N,5,1,0.423,5,966,450.524,2.966,5,0.482,0.76,1.0,0.06379788910972517,0.0014135425947501884,0.013167363443218422,0.026840175450620247,0.026304742649578505
EOS-5-04264,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-n1ccnc1,VYFGOTPLTGHPMO-UHFFFAOYSA-N,5,1,0.309,60,84,479.508,2.251,6,0.35,0.68,0.984,0.09350798437392914,0.02451853882530327,0.17961414570625728,0.10718936330614763,0.10120750805290933
EOS-5-04265,COCCC(=O)NCc1cncc2nnc(-c3ccc(-c4cccnn4)c(OC)c3)n12,KRSPZZUNLSXMLN-UHFFFAOYSA-N,5,1,0.377,5,966,419.445,1.91,4,0.46,0.82,1.0,0.14073744088821877,0.002595778219450346,0.06168185868000822,0.028861969707353847,0.0584692618737578
EOS-5-04266,COc1cc(-c2nnc3cncc(CNCC4CCOC4)n23)ccc1-c1nccs1,NQHVVDXUVFMSGS-UHFFFAOYSA-N,5,1,0.412,5,743,422.514,3.05,5,0.49,0.65,1.0,0.10588719073401412,0.0036066753478171476,0.043382907271605785,0.07473785210060996,0.05690365636351175
EOS-5-04267,COc1cc(-c2nnc3cncc(CNCC4CC4F)n23)ccc1-c1nccs1,PUPAGJMUOZMGTM-UHFFFAOYSA-N,5,1,0.389,5,743,410.478,3.371,5,0.503,0.55,1.0,0.22683503529573024,0.15351929271468714,0.44053697484750876,0.3987389486669865,0.30490756288122817
EOS-5-04268,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cncn4)nn3)n12,QCDOHIQZHUMBDE-UHFFFAOYSA-N,5,1,0.306,60,663,486.5,2.109,6,0.357,0.68,0.762,0.13566582139675143,0.16491330272085533,0.08787094784456172,0.10090980741553011,0.12233996984442466
EOS-5-04269,c1cn(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)cn2)cn1,KPBPJIPNSSDKQF-UHFFFAOYSA-N,5,1,0.32,60,869,466.534,3.18,6,0.382,0.66,1.0,0.046852511822356245,0.022214036049619627,0.20310465355356042,0.1615636351175382,0.10843370913576864
EOS-5-04270,COc1cc(-c2nnc3cncc(CNC4CCCCC4)n23)ccc1-c1nccs1,JWYHVYYVQNTUDJ-UHFFFAOYSA-N,5,1,0.367,5,741,420.542,4.346,5,0.5,0.93,1.0,0.11641594133369886,0.005225824138167363,0.008644027140017819,0.04422246590363923,0.04362706462888082
EOS-5-04271,c1cc(-c2nnc3cncc(CNCc4ccc(-n5cnnc5)nc4)n23)cc(-c2cscn2)n1,ALMDPRACWOOEMV-UHFFFAOYSA-N,5,1,0.302,60,869,467.522,2.575,6,0.377,0.64,1.0,0.05314063463779042,0.011548214652868207,0.14786512233568638,0.11429991090398191,0.08171347063258173
EOS-5-04272,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsn5)c(OC)c4)n23)CC1,FVFASKLTHNWYEZ-UHFFFAOYSA-N,5,1,0.352,5,741,479.61,4.003,5,0.385,0.67,1.0,0.11908025495168255,0.004797477897333973,0.018016242889452402,0.08359605236104448,0.05637250702487835
EOS-5-04273,CCCCCCc1cncc2nnc(-c3ccc(-c4ncc(CC)s4)c(CC)n3)n12,PJRZWEIOJSMVMK-UHFFFAOYSA-N,5,1,0.323,78,878,420.586,5.557,4,0.332,0.66,0.015,0.06952059488725927,0.08913028579261188,0.0030326913851004044,0.002784250565417038,0.04111695565759715
EOS-5-04274,CC(C)(C)C(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,HFUANXATRWBCST-UHFFFAOYSA-N,5,1,0.396,78,634,411.466,3.111,4,0.518,0.67,1.0,0.17946850798437394,0.1860821739428415,0.07191933383592626,0.02337913782468645,0.11521228839695702
EOS-5-04275,COc1cc(-c2nnc3cncc(CNCc4ccc5c(c4)OCCO5)n23)ccc1-c1cncs1,NZCOSPBGABPVGA-UHFFFAOYSA-N,5,1,0.35,60,257,486.557,3.984,6,0.369,0.72,1.0,0.18816393667329176,0.05291789459255706,0.46910766911109586,0.31598245493797544,0.25654298882873006
EOS-5-04276,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1ccsn1,RSXLSCASPGTFIB-UHFFFAOYSA-N,5,1,0.381,5,743,422.514,3.192,5,0.511,0.75,1.0,0.11070180248098142,0.0020560619560002743,0.04501918991158933,0.0909636077033788,0.06218516551298746
EOS-5-04277,COc1cc(-c2nnc3cncc(CNC4CCCC4)n23)ccc1-c1ncc(C)s1,YLGOLZWFJADTHT-UHFFFAOYSA-N,5,1,0.344,5,741,420.542,4.264,5,0.502,0.9,1.0,0.11642450825851552,0.004806044822150641,0.015009252278802001,0.042980261805222394,0.044805016791172644
EOS-5-04278,COc1cc(-c2nnc3cncc(Cc4ccc(-c5nncs5)s4)n23)ccc1-c1cncs1,PDNSCVITMUFDMD-UHFFFAOYSA-N,5,1,0.327,14,149,489.611,5.094,6,0.322,0.64,1.0,0.2431293262970324,0.12067370296758276,0.24926324446576656,0.22007573161537936,0.20828550133644025
EOS-5-04279,Oc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnn5)nn4)n23)ccc1-c1ccncc1,DQQHTHOBRQLILP-UHFFFAOYSA-N,5,1,0.297,60,84,477.492,2.219,6,0.351,0.64,0.972,0.07348708107737646,0.02935885134672058,0.1570659995887876,0.15332225344390377,0.1033085463641971
EOS-5-04280,COc1cc(-c2nnc3cncc(CN4CCCCCC4)n23)ccc1-c1cccnc1,VLDVHMSXKTYVAD-UHFFFAOYSA-N,5,1,0.433,5,123,414.513,4.238,5,0.487,0.77,1.0,0.1658213967514221,0.04565314234802276,0.0034353368514837912,0.03685491056130492,0.06294119662805839
EOS-5-04281,COc1cc(-c2nnc3cncc(CNCc4ccc5c(c4)OCCO5)n23)ccc1-c1ccsn1,KMYNQQYFLYFDDN-UHFFFAOYSA-N,5,1,0.333,14,257,486.557,3.984,6,0.369,0.66,1.0,0.1936039339318758,0.042012199300938934,0.4405455417723254,0.29704955109313963,0.24330280652456993
EOS-5-04282,COc1cc(-c2nnc3cncc(CNCC4CCOCC4)n23)ccc1-c1nccs1,HYVCGZTXXRJCOZ-UHFFFAOYSA-N,5,1,0.427,5,743,436.541,3.44,5,0.475,0.89,1.0,0.0655198409978754,0.0015763141662668769,0.01888150229593585,0.052206839832773626,0.03454612432321294
EOS-5-04283,COc1cc(-c2nnc3cncc(CNC4CCNCC4)n23)ccc1-c1nccs1,CHUIVAORYTXGCK-UHFFFAOYSA-N,5,1,0.348,5,743,421.53,2.765,5,0.495,0.82,1.0,0.1164330751833322,0.002964155986567062,0.01637139332465218,0.03686347748612158,0.043158025495168256
EOS-5-04284,Fc1ccc(N2CCN(Cc3cncc4nnc(-c5ccc(-c6c[nH]nn6)cc5Cl)n34)CC2)cc1,DCJOLAAGLZLMNA-UHFFFAOYSA-N,5,1,0.359,61,487,489.946,3.691,6,0.402,0.73,1.0,0.2019652525529436,0.24948598451099993,0.07192790076074293,0.31883524090192583,0.21055359468165308
EOS-5-04285,COc1cc(-c2nnc3cncc(CNC4CCN(C(C)=O)CC4)n23)ccc1-c1nncs1,OJCCZSORYGUBHM-UHFFFAOYSA-N,5,1,0.354,5,741,464.555,2.419,5,0.463,0.86,1.0,0.05679871153450757,0.004814611746967308,0.0020303611815502705,0.0027928174902337056,0.016609125488314714
EOS-5-04286,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccnc5)nc4)n23)c(F)c1F,KJLFVADONFHNFF-UHFFFAOYSA-N,5,1,0.369,96,26,486.442,3.138,5,0.391,0.78,1.0,0.12721883352751695,0.17762661914879035,0.5071191145226509,0.36710986224384895,0.29476860736070176
EOS-5-04287,COc1cc(-c2nnc3cncc(CNC(=O)C(N)=O)n23)ccc1-c1ccsc1,FRWCVNFPYPKIRB-UHFFFAOYSA-N,5,1,0.417,5,966,408.443,1.63,4,0.484,0.81,1.0,0.32503769446919334,0.10825166198341443,0.05020217942567336,0.02252244534301967,0.1265034953053252
EOS-5-04288,O=C(NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3Cl)n12)C1CC1,CBUPBLPGZNYRET-UHFFFAOYSA-N,5,1,0.432,78,753,411.878,2.989,5,0.542,0.84,1.0,0.16015865944760468,0.1994380097320266,0.021434445891302858,0.11430847782879858,0.12383489822493318
EOS-5-04290,c1cc(CCOc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)ccn1,YNEJSPFMRICZMJ-UHFFFAOYSA-N,5,1,0.589,58,56,401.455,3.326,5,0.431,0.81,1.0,0.5812401480364608,0.5802892193818107,0.2929973956548557,0.25830991707216777,0.42820917003632375
EOS-5-04291,COc1cc(-c2nnc3cncc(CNC(=O)C4CCOCC4)n23)ccc1-c1ncsn1,GQBJCCNJEWHQFA-UHFFFAOYSA-N,5,1,0.432,5,966,451.512,2.361,5,0.475,0.75,1.0,0.06205023644712494,0.0012336371736001645,0.005405729559317387,0.008275649372901104,0.019241313138235898
EOS-5-04292,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5cnsc5)cn4)n23)ccn1,KEMZUKIITCAXFU-UHFFFAOYSA-N,5,1,0.359,85,920,405.418,3.423,5,0.414,0.65,1.0,0.35369405798094716,0.4118720444109383,0.5242529641559865,0.4955366321705161,0.446338924679597
EOS-5-04293,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cn4)n23)nc1,LDMGCVDSHFFDAT-UHFFFAOYSA-N,5,1,0.298,63,759,446.421,2.991,5,0.475,0.8,0.972,0.03146631485162086,0.06052532382975807,0.08291069837571105,0.2879172092385717,0.11570488657391542
EOS-5-04294,Cn1cncc1-c1ccc(-c2nnc3cncc(CNCc4ccc(-c5ccccn5)nn4)n23)cc1F,KRXITMFMEPMVCI-UHFFFAOYSA-N,5,1,0.333,60,84,492.522,3.473,6,0.361,0.64,1.0,0.29964532931258997,0.26983243095058596,0.35577582071139746,0.34113494619971213,0.3165971317935714
EOS-5-04295,CCc1nc(-c2nnc3cncc(CCC4CC4)n23)ccc1-c1ncc(CCO)cn1,NAJPUQIPYZJLSD-UHFFFAOYSA-N,5,1,0.337,78,878,415.501,3.083,5,0.472,0.65,0.017,0.10589575765883079,0.13108251661983414,0.005414296484134056,0.02408162565965321,0.06661854910561305
EOS-5-04296,CCc1nc(-c2nnc3cncc(CN(OC)C(C)=O)n23)ccc1-c1ccc(C)cn1,YJSNHAPRRSZOOM-UHFFFAOYSA-N,5,1,0.33,63,878,417.473,3.029,4,0.445,0.67,0.229,0.11644164210814886,0.03230587348365431,0.03371084915358783,0.009603522719484614,0.0480154718662189
EOS-5-04297,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(-c5cnc(F)cn5)cn4)n23)cc1,JVLPAPMNYQIEQX-UHFFFAOYSA-N,5,1,0.403,74,274,412.388,2.548,5,0.481,0.84,1.0,0.16582996367623878,0.14960420807346994,0.44775032554314304,0.37361215817969984,0.2841991638681379
EOS-5-04298,Cn1cncc1-c1cc(-c2nnc3cncc(OCc4ncncc4F)n23)ccn1,PWTGRHPJSBAVQK-UHFFFAOYSA-N,5,1,0.477,7,624,403.381,2.095,5,0.439,0.67,1.0,0.4826262764717977,0.402388458638887,0.27481838119388663,0.23471660612706463,0.348637430607909
EOS-5-04299,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1ccsc1,WAKXQBQBSUDULU-UHFFFAOYSA-N,5,1,0.389,5,741,421.526,3.797,5,0.511,0.82,1.0,0.11071036940579809,0.00297272291138373,0.11580768967171544,0.2025820711397437,0.10801821328216024
EOS-5-04300,CCCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5nncs5)c(OC)c4)n23)C1,DBDBNYAUQDPFRL-UHFFFAOYSA-N,5,1,0.327,5,123,464.599,3.282,5,0.403,0.71,1.0,0.06028544993489137,0.002604345144267014,0.0032896991296004385,0.007727366184634364,0.018476715098348296
EOS-5-04301,COc1cc(-c2nnc3cncc(CNCC4CCCC4)n23)ccc1-c1cnsc1,LEBOMZWEOGIOMU-UHFFFAOYSA-N,5,1,0.407,5,741,420.542,4.203,5,0.483,0.73,1.0,0.10336851483791379,0.008361318621067782,0.020689123432252758,0.10302583784524708,0.058861198684120354
EOS-5-04302,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5ccsn5)c(OC)c4)n23)CC1,ZJCDLBVRRXCJLK-UHFFFAOYSA-N,5,1,0.359,5,741,478.622,4.608,5,0.376,0.75,1.0,0.10074703584401343,0.006270988965800836,0.03232300733328764,0.1277414159413337,0.0667706120211089
EOS-5-04303,Fc1nc(-c2ccsn2)ccc1-c1nnc2cncc(OCCc3ccc(Br)nn3)n12,XSGZMCVXQVGLFA-UHFFFAOYSA-N,5,1,0.494,58,28,499.329,3.623,5,0.327,0.53,1.0,0.607360701802481,0.7107292166403948,0.1828524432869577,0.22568706737029676,0.4316573572750325
EOS-5-04304,CNC(=O)c1ccc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)nc1,FGGHGDKFAOHLHF-UHFFFAOYSA-N,5,1,0.311,33,60,442.447,0.206,5,0.357,0.7,0.164,0.046861078747172914,0.007573161537934343,0.015017819203618669,0.004480501679117264,0.018483140291960798
EOS-5-04305,COC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)c4)n23)CC1,FXXPVIMQGGTBGN-UHFFFAOYSA-N,5,1,0.347,5,741,478.578,3.745,5,0.401,0.87,1.0,0.1007556027688301,0.005234391062984031,0.015026386128435336,0.03270851895003769,0.03843122472757179
EOS-5-04306,O=C(NCc1cncc2nnc(-c3ccc(-c4nccs4)cc3Cl)n12)C1CC1,KJAOSYGRVKHLMG-UHFFFAOYSA-N,5,1,0.408,78,753,410.89,3.594,5,0.543,0.89,1.0,0.18247549859502432,0.20396991296004385,0.046792543348639574,0.1913165650058255,0.15613862997738331
EOS-5-04307,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1ncc[nH]1,QMDLTEXOFLLDBP-UHFFFAOYSA-N,5,1,0.279,60,644,481.484,1.245,6,0.322,0.67,0.988,0.10832019738194777,0.019918100198752654,0.06757590295387568,0.03930505105887191,0.058779812898362004
EOS-5-04308,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccc(-n4ccnc4)nc3)n12,WZQCKKVTDOPDGW-UHFFFAOYSA-N,5,1,0.291,60,84,484.524,3.319,6,0.367,0.65,1.0,0.09597525872112947,0.14961277499828662,0.3404581591391954,0.31599102186279215,0.2255093036803509
EOS-5-04309,COc1cc(-c2nnc3cncc(CNCC4CCCC4)n23)ccc1-c1nccs1,PEORFIVSCKZCNC-UHFFFAOYSA-N,5,1,0.398,5,743,420.542,4.203,5,0.483,0.9,1.0,0.10337708176273044,0.0069734768007675965,0.009903365088067988,0.05091323418545679,0.04279178945925571
EOS-5-04310,Clc1cc(-c2nnco2)ccc1-c1nnc2cncc(CNCc3cc(-n4cnnn4)ncn3)n12,WAVUBHMAOAZJIJ-UHFFFAOYSA-N,5,1,0.276,60,644,487.875,1.55,6,0.346,0.62,0.998,0.157571448152971,0.1688540881365225,0.07612569392091015,0.105039065177164,0.1268975738468919
EOS-5-04311,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3cc(-n4cnnn4)ncn3)n12,IWBMULUBOSCHDY-UHFFFAOYSA-N,5,1,0.276,60,644,487.488,1.504,6,0.349,0.62,0.998,0.1548043314371873,0.1535278596395038,0.06758446987869235,0.08185696662326092,0.11444340689466109
EOS-5-04312,Cc1ncc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-c6cnccn6)nc5)n34)c(F)c2)o1,NRPMODIDLSBDKY-UHFFFAOYSA-N,5,1,0.292,60,869,493.506,4.036,6,0.351,0.66,1.0,0.3049225549996573,0.37389486669864985,0.47559283119731344,0.3954920841614694,0.38747558426427253
EOS-5-04313,c1ccc(Oc2ccc(-c3nnc4cncc(CNCc5cc(-n6ccnc6)ncn5)n34)cn2)nc1,HGYLPBISOKFEGU-UHFFFAOYSA-N,5,1,0.309,60,869,477.492,2.639,6,0.349,0.65,1.0,0.06380645603454184,0.0420207662257556,0.15707456651360427,0.09677198272907957,0.08991844287574531
EOS-5-04314,COC1(C(=O)NCc2cncc3nnc(-c4ccc(-c5cccs5)nc4-c4cscn4)n23)CC1,CCDPXGAUVMULEN-UHFFFAOYSA-N,5,1,0.353,52,634,489.586,3.834,6,0.37,0.68,1.0,0.2130080186416284,0.15729730655883764,0.013175930368035091,0.042988828730039064,0.10661752107463505
EOS-5-04315,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1cncs1,NYENPMFPVDQHGG-UHFFFAOYSA-N,5,1,0.389,5,741,422.514,3.192,5,0.511,0.84,1.0,0.0935165512987458,0.003966486190117195,0.05400589404427387,0.10091837434034678,0.06310182646837091
EOS-5-04317,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C(C)C)n34)c(F)n2)cs1,RADBUKFJJYUWSL-UHFFFAOYSA-N,5,1,0.388,78,634,411.466,3.03,4,0.507,0.73,1.0,0.17657288739634022,0.164921869645672,0.059591529024741276,0.02409019258446988,0.10629411966280584
EOS-5-04318,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNCc3cc(-n4cncn4)ncn3)n12,VNGPOOILTGDEFB-UHFFFAOYSA-N,5,1,0.297,60,644,486.5,2.109,6,0.357,0.64,0.96,0.12722740045233363,0.16107532040298814,0.11005071619491467,0.11666438215338222,0.12875445480090467
EOS-5-04319,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCC(F)C5)cc4)n23)nc1,AVSCHJSIMRHEPC-UHFFFAOYSA-N,5,1,0.327,0,825,445.458,2.526,5,0.516,0.86,1.0,0.03807998081008841,0.016782605715852238,0.015034953053252005,0.048274621341923105,0.02954304023027894
EOS-5-04320,Fc1ccc(-c2nnc3cncc(CCc4ncccn4)n23)cc1-c1ncsn1,PZQXCRRIRUDSPM-UHFFFAOYSA-N,5,1,0.393,85,580,404.434,3.024,5,0.444,0.72,1.0,0.37206154478788295,0.4968559385922829,0.13577719141936812,0.20259063806456035,0.3018213282160236
EOS-5-04321,CCCCc1cncc2nnc(-c3nc(C)c(-c4ccc(-c5cncn5C)nn4)s3)n12,LKFNZMDYUVPCFU-UHFFFAOYSA-N,5,1,0.293,31,878,431.529,3.756,5,0.403,0.59,0.108,0.04260331711328901,0.02671167157837023,0.004994517168117333,0.004094990062367213,0.019601123980535946
EOS-5-04322,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3cc(-n4ccnc4)ncn3)n12,ZIOSYPHAUVASBP-UHFFFAOYSA-N,5,1,0.278,60,644,485.512,2.714,6,0.363,0.68,1.0,0.11071893633061476,0.14564628880816943,0.20311322047837707,0.19666232609142623,0.16403519292714686
EOS-5-04323,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1cnsc1,SEEDCKXTHBOISP-UHFFFAOYSA-N,5,1,0.389,5,741,422.514,3.192,5,0.511,0.68,1.0,0.09598382564594612,0.0032639983551504353,0.0654941402234254,0.12565108628606675,0.07259826262764718
EOS-5-04324,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cncs5)c(OC)c4)n23)CC1,QIQZGEGGOZDVOH-UHFFFAOYSA-N,5,1,0.366,5,741,478.622,4.608,5,0.376,0.78,1.0,0.0862517990542115,0.010708656020834761,0.03765163456925502,0.1363597423069015,0.0677429579878007
EOS-5-04325,O=C(NCc1cncc2nnc(-c3ccc(-c4ncc(F)cn4)c(F)c3)n12)C1CC1,MDTDAXZVWQAIKF-UHFFFAOYSA-N,5,1,0.438,78,753,407.384,2.553,5,0.546,0.9,1.0,0.30217257213350696,0.23380851209649783,0.10215201151394696,0.2523130697005003,0.222611541361113
EOS-5-04327,Fc1cccc(-c2ccc(-c3nnc4cncc(CNCc5cc(-c6cncnc6)ncn5)n34)cn2)n1,CXEFIDYOBOPKIX-UHFFFAOYSA-N,5,1,0.308,94,869,491.494,2.924,6,0.332,0.64,1.0,0.2593122472757179,0.2187050236447125,0.2966554725515729,0.27617195531492017,0.2627111746967309
EOS-5-04328,Cc1cnc(-c2ccc(-c3nnc4cncc(CNCc5cccc(-n6cncn6)n5)n34)cn2)nc1,WMFABMOBKRIZIX-UHFFFAOYSA-N,5,1,0.282,60,663,476.508,2.217,6,0.365,0.75,0.978,0.06952916181207594,0.013895552052635186,0.059600095949557945,0.040495853608388734,0.04588016585566445
EOS-5-04329,Fc1cncnc1COc1cncc2nnc(-c3cncc(-c4cnccn4)c3)n12,BZPJPFDUKAUWEW-UHFFFAOYSA-N,5,1,0.429,2,970,401.365,2.151,5,0.436,0.61,1.0,0.5843242409704612,0.5516328558700568,0.31870673702967584,0.3033034062093071,0.4394918100198753
EOS-5-04330,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5COC5)n34)cc2F)n(C)n1,PAHBPOIUEGGGCE-UHFFFAOYSA-N,5,1,0.365,78,75,408.441,1.77,5,0.52,0.76,1.0,0.2514563772188335,0.23941128092659858,0.045027756836406,0.08715132615996161,0.15576168528544992
EOS-5-04331,C#Cc1ccc(CCc2cncc3nnc(-c4ccc(-c5nncs5)cc4)n23)cc1,WJMZEWRYQIKPOM-UHFFFAOYSA-N,5,1,0.404,62,886,408.49,4.076,5,0.41,0.68,1.0,0.21568946610924541,0.34987320951271333,0.5578610102117744,0.5554622712631074,0.41972148927421016
EOS-5-04332,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(CCC5CCCC5)n34)c(Cl)c2)n1,IKZKUQJTDMFMRD-UHFFFAOYSA-N,5,1,0.38,78,830,407.909,4.661,5,0.52,0.81,0.981,0.22684360222054692,0.38342128709478446,0.010451648276334727,0.16659241998492222,0.1968272393941471
EOS-5-04333,CCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5nncs5)c(OC)c4)n23)CC1,WEZDZHSRYPVUSW-UHFFFAOYSA-N,5,1,0.349,5,123,464.599,3.282,5,0.425,0.85,1.0,0.05488828730039065,0.0029812898362003974,0.0022788020012336372,0.007187649921184292,0.016834007264752242
EOS-5-04334,Fc1cnccc1COc1cncc2nnc(-c3cc(-c4cccnn4)ncn3)n12,VXIXTYFEMHDGCW-UHFFFAOYSA-N,5,1,0.379,46,395,401.365,2.151,5,0.436,0.65,0.09,0.6442755808375026,0.44311561921732573,0.3336131862106778,0.3281646220272771,0.43729225207319583
EOS-5-04335,COc1cc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)ccc1-c1ccsn1,RIBDZFJURNWLAM-UHFFFAOYSA-N,5,1,0.516,28,667,494.54,4.354,6,0.319,0.63,1.0,0.3768161880611336,0.2958501816188061,0.3110993077924748,0.2172400795010623,0.3002514392433692
EOS-5-04336,Cn1cnnc1-c1ccc(-c2nnc3cncc(CNC(=O)C4CC4)n23)c(Cl)c1,IFISPDOZBDCOBY-UHFFFAOYSA-N,5,1,0.418,78,753,408.853,2.266,5,0.543,0.87,1.0,0.2378863683092317,0.23381707902131452,0.017133849633335616,0.08186553354807759,0.14267570762798987
EOS-5-04337,CCCCCCCc1cncc2nnc(-c3ccc(-c4ccc(C)nn4)c(CC)n3)n12,ZJLGMTBRJLMBNI-UHFFFAOYSA-N,5,1,0.323,78,878,415.545,5.027,4,0.357,0.64,0.108,0.10832876430676444,0.09538414090877939,0.004249194709067233,0.005731272702350764,0.05342334315674046
EOS-5-04338,CNC(=O)c1ccc(-c2nnc3cncc(OCCc4cccc(C#N)c4)n23)cc1,GZPJFXVSQVOVMM-UHFFFAOYSA-N,5,1,0.712,48,576,398.426,2.644,4,0.535,0.89,1.0,0.9483414433554931,0.5284764580906038,0.5968148173531629,0.44290144609690907,0.6291335412240423
EOS-5-04339,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-n1cccn1,KOFOTAFHMNZUEF-UHFFFAOYSA-N,5,1,0.284,60,644,481.484,1.041,6,0.332,0.71,1.0,0.10076416969364677,0.019926667123569324,0.05767253786580769,0.031646220272770885,0.05250239873894867
EOS-5-04340,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cccnc1C#N,OCLBPHQNDJZENF-UHFFFAOYSA-N,5,1,0.351,5,741,411.469,3.376,5,0.519,0.87,1.0,0.21855938592282914,0.06462031389212529,0.18614214241655816,0.28213453498732094,0.1878640943047084
EOS-5-04341,Fc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnn5)ncn4)n23)ccc1-c1nccs1,DLEPMUSPVZPBOM-UHFFFAOYSA-N,5,1,0.306,60,869,485.512,2.714,6,0.363,0.62,1.0,0.10833733123158111,0.14191967651291892,0.1635854293742718,0.16931670207662258,0.14578978479884863
EOS-5-04342,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)CC1,RRYARVPZZUPRIH-UHFFFAOYSA-N,5,1,0.333,5,741,449.584,3.995,5,0.435,0.78,1.0,0.0440425604824892,0.005242957987800699,0.009911932012884655,0.07856726749366047,0.03444117949420876
EOS-5-04343,NC(=O)c1ccc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)cc1,OVPUKLAUQLWHOV-UHFFFAOYSA-N,5,1,0.366,60,416,426.444,1.156,5,0.395,0.78,1.0,0.05680727845932424,0.01255054485641834,0.08547220889589473,0.04299739565485573,0.04945685696662326
EOS-5-04344,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1ncsn1,VQGCCLYPSIYUBF-UHFFFAOYSA-N,5,1,0.389,5,75,423.502,2.587,5,0.505,0.74,1.0,0.09128915084641218,0.0018247549859502434,0.01563463779041875,0.03486738400383798,0.03590398190665479
EOS-5-04345,CNC(=O)c1ccc(-c2nnc3cncc(CNCc4ccc(-n5ccnn5)nn4)n23)cc1,RUUKBKMSDLQHKO-UHFFFAOYSA-N,5,1,0.361,74,416,441.459,0.811,5,0.375,0.77,1.0,0.03663217051607155,0.013904118977451854,0.03766020149407169,0.015334795421835377,0.025882821602357622
EOS-5-04346,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cccnc5)ncn4)n23)ccc1-c1cnco1,HJYAGAPTXDVOIG-UHFFFAOYSA-N,5,1,0.318,60,149,491.515,3.597,6,0.337,0.59,1.0,0.2916009869097389,0.1278442190391337,0.3593824960592146,0.24921184291686657,0.25700988623123844
EOS-5-04347,O=C(CCCCC1CCCCC1)NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3)n12,RKRHDQUWXQXNNX-UHFFFAOYSA-N,5,1,0.419,5,701,475.622,5.067,5,0.34,0.82,1.0,0.06029401685970804,0.015309094647385375,0.000496881639366733,0.00410355698718388,0.020050887533411006
EOS-5-04348,OCc1nnc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(F)c2)s1,HDBPIYHBRQAXLO-UHFFFAOYSA-N,5,1,0.323,78,830,411.466,2.583,5,0.503,0.82,1.0,0.16583853060105544,0.16886265506133918,0.01802480981426907,0.10092694126516345,0.11341323418545678
EOS-5-04350,Fc1ccccc1-n1cc(-c2nnc3cncc(CNCc4cccc(-n5cccn5)n4)n23)cn1,XSITZFGBUIKKAE-UHFFFAOYSA-N,5,1,0.28,60,84,466.484,2.987,6,0.386,0.66,1.0,0.03393358919882119,0.04566170927283942,0.26340723733808513,0.2879257761633884,0.15773207799328354
EOS-5-04351,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1nccs1,ICXIAWQJGRTLDL-UHFFFAOYSA-N,5,1,0.381,5,743,422.514,3.192,5,0.511,0.9,1.0,0.09831402919607977,0.0015848810910835446,0.03233157425810431,0.06383215680899185,0.049015660338564866
EOS-5-04353,CC(=O)Nc1ccc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)cc1,AJSAVXWXZJWPDR-UHFFFAOYSA-N,5,1,0.387,60,416,440.471,2.015,5,0.393,0.79,1.0,0.04999657323007333,0.0026129120690836817,0.1187204441093825,0.04180659310533891,0.05328413062846961
EOS-5-04354,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5nccn5)nn4)n23)ccc1-c1ncc[nH]1,MKPOWEDSGSNQQO-UHFFFAOYSA-N,5,1,0.295,60,84,480.496,1.85,6,0.33,0.66,0.998,0.08177986429991091,0.02936741827153725,0.06169042560482489,0.03587828113220479,0.052178997327119454
EOS-5-04355,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2Cl)cs1,HXOYWTMJHSDGFF-UHFFFAOYSA-N,5,1,0.347,78,830,410.934,4.519,5,0.524,0.92,1.0,0.1794770749091906,0.16493043657048867,0.09708039202247962,0.3188438078267425,0.19008292783222536
EOS-5-04356,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)CC5)cc4)n23)nc1,FUIHCTONXQIBAM-UHFFFAOYSA-N,5,1,0.312,0,825,445.458,2.526,5,0.516,0.9,1.0,0.03279418819820437,0.016791172640668907,0.013184497292851758,0.048283188266739774,0.0277632615996162
EOS-5-04357,Fc1cc(-c2ccsn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4ccnn4)cc3)n12,SQLURONYKKTSMJ-UHFFFAOYSA-N,5,1,0.295,60,84,483.536,3.924,6,0.367,0.71,1.0,0.07544033993557672,0.14192824343773558,0.517793502844219,0.5056113357549175,0.3101933554931122
EOS-5-04358,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccccn5)nc4)n23)ccc1-c1ccoc1,OYZBDPUPPJLFGT-UHFFFAOYSA-N,5,1,0.353,60,149,489.539,4.807,6,0.325,0.67,1.0,0.2378949352340484,0.08255945445822767,0.5679699814954424,0.45559762867521075,0.3360054999657323
EOS-5-04359,c1cn(-c2ccnc(CNCc3cncc4nnc(-c5ccc(-c6cncs6)nc5)n34)c2)nn1,UQKPNVJITZNZKZ-UHFFFAOYSA-N,5,1,0.314,60,869,467.522,2.575,6,0.377,0.6,1.0,0.04106127064628881,0.015317661572202042,0.11581625659653211,0.09678054965389624,0.0672439346172298
EOS-5-04360,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12)C1CCOCC1,NAFQJLQFXKKBTQ-UHFFFAOYSA-N,5,1,0.406,78,793,440.464,1.887,5,0.467,0.67,1.0,0.03280275512302104,0.019935234048385993,0.0037009115208004933,0.013270166541018437,0.01742726680830649
EOS-5-04361,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnco5)ccn4)n23)ccc1-c1cccnn1,XYVLJHVJTXURID-UHFFFAOYSA-N,5,1,0.308,60,149,491.515,3.597,6,0.337,0.6,1.0,0.3072698923994243,0.09203447330546227,0.36681001987526557,0.25552566650675074,0.2554100130217257
EOS-5-04362,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)c4)n23)CC1,LHNUVILFMPNHKF-UHFFFAOYSA-N,5,1,0.359,5,741,478.622,4.608,5,0.376,0.82,1.0,0.08859913645397847,0.0048231786717839766,0.0245099719004866,0.0967891165787129,0.05368035090124049
EOS-5-04363,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)cc4)n23)c(F)c1F,QKAAANCPJBIENY-UHFFFAOYSA-N,5,1,0.364,0,21,490.514,4.112,5,0.465,0.9,1.0,0.2185679528476458,0.18609074086765814,0.01564320471523542,0.09097217462819546,0.1278185182646837
EOS-5-04364,c1cnn(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6cscn6)nc5)n34)ncn2)c1,FZWSAHXVQSRMLY-UHFFFAOYSA-N,5,1,0.305,60,869,467.522,2.575,6,0.377,0.64,1.0,0.04106983757110547,0.013912685902268521,0.07841306284696045,0.06384072373380852,0.049309077513535735
EOS-5-04365,CCCCc1cncc2nnc(-c3ccc(-c4cnc(CC(C)C)cn4)c(CC)n3)n12,NBPXZPNRTSTDJX-UHFFFAOYSA-N,5,1,0.318,78,878,415.545,4.747,4,0.413,0.68,0.619,0.10077273661846343,0.09204304023027894,0.02354190939620314,0.014795079158385306,0.0577881913508327
EOS-5-04366,COc1cc(-c2nnc3cncc(CNC(=O)C4CCOCC4)n23)ccc1-c1cccnn1,DWFYUDJMPPFEDY-UHFFFAOYSA-N,5,1,0.414,5,966,445.483,2.3,5,0.481,0.86,1.0,0.05681584538414091,0.0005140154890000686,0.014392433692001919,0.02791104105270372,0.024908333904461656
EOS-5-04367,Cn1cncc1-c1ccc(-c2nnc3cncc(CNCC4CC4CO)n23)cc1F,YFONUUAZMLJHCN-UHFFFAOYSA-N,5,1,0.34,78,75,407.453,2.049,5,0.487,0.54,0.999,0.28593824960592146,0.2291052703721472,0.5277911041052704,0.577830511959427,0.40516628401069155
EOS-5-04368,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(Cl)c2)cs1,MUBFNJPZFANTFY-UHFFFAOYSA-N,5,1,0.325,78,830,410.934,4.519,5,0.524,0.9,1.0,0.17104722088958949,0.177635186073607,0.092479953395929,0.31281269275580836,0.18849376327873346
EOS-5-04369,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNCc3cc(-n4ccnn4)ncn3)n12,ILRUYPNKAWBPST-UHFFFAOYSA-N,5,1,0.291,60,644,486.5,2.109,6,0.357,0.65,1.0,0.11645020903296553,0.1456548557329861,0.09971043794119663,0.11190117195531492,0.11842916866561579
EOS-5-04370,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)n23)nc1,XLAARVGUOROQFX-UHFFFAOYSA-N,5,1,0.312,0,825,463.448,2.824,5,0.497,0.82,0.998,0.030129874580220685,0.03534713179357138,0.05204406826125694,0.1482335001028031,0.06643864368446302
EOS-5-04371,CCCC(=O)NCc1cncc2nnc(-c3ccc(-c4csc(C)n4)cc3F)n12,GOXVMNKHOKUUDV-UHFFFAOYSA-N,5,1,0.4,78,753,410.478,3.779,4,0.523,0.88,1.0,0.19649098759509287,0.14566342265780274,0.07613426084572682,0.0707627989856761,0.12226286752107464
EOS-5-04372,COc1cc(-c2nnc3cncc(CNC(=O)C(C)C)n23)ccc1-c1cscn1,IBGAPUMYSVRMKC-UHFFFAOYSA-N,5,1,0.404,5,966,408.487,3.196,4,0.527,0.8,1.0,0.3021811390583236,0.09205160715509561,0.129925981769584,0.041815160030155576,0.1414934720032897
EOS-5-04373,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3ccnc(-n4cncn4)c3)n12,ITKBFHKFNMFZJW-UHFFFAOYSA-N,5,1,0.299,60,869,485.512,2.714,6,0.34,0.59,0.997,0.0959923925707628,0.14567198958261943,0.13578575834418477,0.12774998286615036,0.12630003084092933
EOS-5-04374,CCc1nc(-c2nnc3cncc(CCCCO)n23)ccc1-c1ccc(COC)nc1,IFXDGQCOOYGLFW-UHFFFAOYSA-N,5,1,0.319,78,878,418.501,3.272,4,0.417,0.67,0.68,0.07968096771982729,0.04202933315057227,0.06356658213967514,0.06384929065862519,0.06228154341717497
EOS-5-04375,c1cncc(CCOc2cncc3nnc(-c4ccc(-c5cnsc5)nc4)n23)c1,VDMMISDFPCRWRE-UHFFFAOYSA-N,5,1,0.566,35,76,401.455,3.326,5,0.431,0.62,1.0,0.5675073675553424,0.5100661366595847,0.31110787471729145,0.28793434308820504,0.4191539305051059
EOS-5-04376,COc1cc(-c2nnc3cncc(CNCc4cc(-c5ccncc5)ncn4)n23)ccc1-c1cnco1,WQERFZQOJZBKNS-UHFFFAOYSA-N,5,1,0.324,60,149,491.515,3.597,6,0.337,0.54,1.0,0.2859468165307381,0.11726406689054897,0.37463162223288327,0.2583184839969844,0.2590402474127887
EOS-5-04377,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CCc3ccnnc3)n12,RUZOKRUNBITPGD-UHFFFAOYSA-N,5,1,0.357,72,487,404.434,3.024,5,0.444,0.7,1.0,0.3470289904735796,0.5013450071962169,0.28582687958330477,0.3443989445548626,0.3696499554519909
EOS-5-04378,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCC3CCCO3)n12,WAJXPONZEDJBQC-UHFFFAOYSA-N,5,1,0.32,78,830,411.466,2.718,5,0.522,0.65,1.0,0.16298574463710505,0.14962134192310328,0.057681104790624355,0.18042800356384073,0.13767904872866835
EOS-5-04379,CCC(CO)NCc1cncc2nnc(-c3ccc(-c4ccsn4)c(OC)c3)n12,KAORUEBQPAUAAK-UHFFFAOYSA-N,5,1,0.398,5,743,410.503,2.784,4,0.461,0.63,1.0,0.2352049208416147,0.06462888081694194,0.2858354465081214,0.1831522856555411,0.1922053834555548
EOS-5-04380,Cn1cncc1-c1ccc(-c2nnc3cncc(CNCc4ccnc(-c5cncnc5)c4)n23)c(F)c1,NCBHRXYOKFCMDH-UHFFFAOYSA-N,5,1,0.3,60,869,492.522,3.473,6,0.361,0.72,1.0,0.269935234048386,0.25951785347131795,0.5514358165992735,0.4833630320060311,0.3910629840312521
EOS-5-04381,COc1cc(-c2nnc3cncc(CNCc4cccc(C(F)(F)F)n4)n23)ccc1-c1cscn1,LXYDTMMCNVKPLO-UHFFFAOYSA-N,5,1,0.343,60,41,497.506,4.627,5,0.351,0.77,1.0,0.5125933794805017,0.40703173188952096,0.8683263655678157,0.6814560345418409,0.6173518778699199
EOS-5-04382,COc1ccc(-c2nnc3cncc(OCc4cccc(-c5cncnc5)n4)n23)cc1-c1nccs1,BYMGPZFRMZREQQ-UHFFFAOYSA-N,5,1,0.511,28,667,494.54,4.354,6,0.319,0.69,0.998,0.3560071276814475,0.3007418956891234,0.3894952367898019,0.27026934411623604,0.3291284010691522
EOS-5-04383,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5CC5)n34)cc2F)cs1,RIPGJTYJMINHSH-UHFFFAOYSA-N,5,1,0.438,78,753,408.462,3.389,5,0.547,0.91,1.0,0.24593071071208278,0.19478616955657596,0.05587348365430745,0.1386813789322185,0.15881793571379615
EOS-5-04384,CCOc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cnc(C)cn1,DPPLPLPHVZOTHM-UHFFFAOYSA-N,5,1,0.34,5,741,415.501,3.598,5,0.493,0.82,1.0,0.13020869028853402,0.022222602974436297,0.05205263518607361,0.08715989308477828,0.07291095538345554
EOS-5-04385,Fc1cnccc1COc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,IMZFLMZIJGNHLL-UHFFFAOYSA-N,5,1,0.506,75,183,399.389,3.361,5,0.447,0.81,1.0,0.7710318004249195,0.6326245630868343,0.7025049688163937,0.6609211157562881,0.6917706120211089
EOS-5-04386,c1cnn(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6ccsn6)nc5)n34)ncn2)c1,ZRDCWQZTVZGWAI-UHFFFAOYSA-N,5,1,0.305,60,869,467.522,2.575,6,0.377,0.57,1.0,0.03808854773490508,0.013921252827085189,0.07193646768555959,0.06225584264272497,0.04655052772256871
EOS-5-04387,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3cc(-n4cncn4)ncn3)n12,UUWCTPMRFGPVGZ-UHFFFAOYSA-N,5,1,0.282,60,644,486.5,2.109,6,0.334,0.57,0.765,0.11367452539236515,0.14193681036255226,0.08291926530052772,0.08013501473511069,0.10466640394763896
EOS-5-04388,COc1cc(-c2nnc3cncc(CNCC4COC4)n23)ccc1-c1cnsn1,NJHSBZQNPNZDQF-UHFFFAOYSA-N,5,1,0.367,5,75,409.475,2.054,5,0.495,0.66,1.0,0.26994380097320264,0.06827839078884243,0.07194503461037625,0.08716846000959495,0.12433392159550406
EOS-5-04390,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cncn4)nn3)n12,TYJJCJFRFDMHHL-UHFFFAOYSA-N,5,1,0.29,60,663,486.5,2.109,6,0.334,0.59,0.707,0.11368309231718182,0.13833013501473512,0.06357514906449181,0.0689808786238092,0.09614231375505448
EOS-5-04391,Cc1ccnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6cncn6)nc5)n34)cn2)c1,QQQSRFRWHUEQEX-UHFFFAOYSA-N,5,1,0.282,60,869,475.52,2.822,6,0.371,0.76,1.0,0.05682441230895758,0.011556781577684874,0.19609690905352614,0.1433417860324858,0.1019549722431636
EOS-5-04392,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)ncn4)n23)cc1F,NTAPOHWKDITROQ-UHFFFAOYSA-N,5,1,0.297,60,869,493.51,2.868,6,0.357,0.57,1.0,0.2944880405729559,0.31611952573504215,0.314988691659242,0.2761805222397368,0.30044419505174425
EOS-5-04393,COc1cc(-c2nnc3cncc(CNCC4COC4)n23)ccc1-c1cscn1,GPMYUQBXGGMROV-UHFFFAOYSA-N,5,1,0.375,5,743,408.487,2.659,5,0.503,0.77,1.0,0.2996538962374066,0.08597765746007813,0.13579432526900143,0.14335035295730245,0.16619405798094716
EOS-5-04394,Cn1cncc1-c1ccc(-c2nnc3cncc(CNCc4ccc(-c5cccnc5)nn4)n23)c(F)c1,BBVPPXQGFWFKMF-UHFFFAOYSA-N,5,1,0.35,60,84,492.522,3.473,6,0.361,0.68,1.0,0.2671081488588856,0.2543862655061339,0.4077941881982044,0.3829758070043177,0.3280661023918854
EOS-5-04395,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(-c2nccn2C)nc1,RIQPJOBTLWVQKL-UHFFFAOYSA-N,5,1,0.262,78,878,465.565,3.853,6,0.39,0.7,0.399,0.0455332054005894,0.0036152422726338155,0.01889006922075252,0.0442310328284559,0.02806738743060791
EOS-5-04396,COC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5nncs5)c(OC)c4)n23)CC1,OPVMDWSPFAIQEX-UHFFFAOYSA-N,5,1,0.343,5,741,479.566,3.14,5,0.399,0.86,1.0,0.08626036597902817,0.005808375025700774,0.009140908779384551,0.018778699198135837,0.029997087245562333
EOS-5-04397,CSc1ccccc1CCOc1cncc2nnc(-c3ccc(Cl)nc3)n12,KQVWCOVAEQRBRZ-UHFFFAOYSA-N,5,1,0.609,48,396,397.891,4.183,4,0.359,0.78,1.0,0.8381964909875951,0.8873021040367349,0.6701391268590227,0.6724436296347063,0.7670203378795148
EOS-5-04398,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1nncs1,HEBGMFKUWWQCGD-UHFFFAOYSA-N,5,1,0.378,5,743,423.502,2.587,5,0.505,0.76,1.0,0.08178843122472758,0.0014221095195668563,0.017142416558152285,0.037977177712288396,0.03458253375368378
EOS-5-04399,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cncc(Cl)c5)[nH]4)n23)c(F)c1,WIVRGGCZTDWMLP-UHFFFAOYSA-N,5,1,0.345,96,26,490.886,3.586,5,0.345,0.75,0.95,0.19649955451990953,0.25439483243095057,0.5645860461928586,0.4713093687889795,0.37169745048317454
EOS-5-04400,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCC5COC5)n34)cc2F)n1,MXGSMEQHCCASMQ-UHFFFAOYSA-N,5,1,0.357,78,75,406.425,1.827,5,0.517,0.76,1.0,0.2996624631622233,0.3058135151805908,0.09469878692344597,0.16157220204235487,0.21543674182715372
EOS-5-04401,Cc1cc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)nnc1F,PAIHGHILUULPPR-UHFFFAOYSA-N,5,1,0.337,78,830,407.428,3.477,5,0.546,0.83,1.0,0.27498115276540336,0.22407648550476322,0.21360770337879514,0.417654718662189,0.2825800150777877
EOS-5-04402,COc1cc(-c2nnc3cncc(CNCc4cccc(-c5ncco5)n4)n23)ccc1-c1cccnc1,YXGLQGKZZDOMIR-UHFFFAOYSA-N,5,1,0.337,60,217,490.527,4.202,6,0.335,0.67,1.0,0.24874066205194983,0.09539270783359605,0.3668185868000822,0.2702779110410527,0.24530746693167021
EOS-5-04403,c1cn(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6csnn6)nc5)n34)nn2)cn1,GOFXXPFNQYCFAP-UHFFFAOYSA-N,5,1,0.292,60,84,468.51,1.97,6,0.37,0.59,0.968,0.038097114659721744,0.011565348502501542,0.04503632376122267,0.041823726954972246,0.03413062846960455
EOS-5-04404,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(OCCc3cc(Br)ncn3)n12,DWFWKUIYKBPFBS-UHFFFAOYSA-N,5,1,0.5,37,832,499.329,3.623,5,0.327,0.64,1.0,0.5784815982454938,0.6420738811596189,0.3707251045164828,0.40171167157837023,0.49824806387499143
EOS-5-04405,CCc1nc(-c2nnc3cncc(CNC(=O)C(F)F)n23)ccc1-c1ncccn1,YFBLMXOZLUBHHM-UHFFFAOYSA-N,5,1,0.333,68,585,410.388,2.087,4,0.518,0.69,0.999,0.1992752381605099,0.12433177986429991,0.10216057843876362,0.07857583441847714,0.12608585772051265
EOS-5-04406,COc1cc(-c2nnc3cncc(CNCc4cc(-c5ccccn5)ncn4)n23)ccc1-c1ccoc1,GJNIGUTZDYOCTQ-UHFFFAOYSA-N,5,1,0.315,60,149,490.527,4.202,6,0.335,0.61,1.0,0.2538551161675005,0.08256802138304434,0.40780275512302105,0.3188523747515592,0.2657695668562813
EOS-5-04407,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4cnc(C)cn4)c(F)c3)n12,OKQNCGVCQSJOTA-UHFFFAOYSA-N,5,1,0.416,78,753,407.409,1.958,4,0.521,0.84,1.0,0.29160955383455556,0.1776437529984237,0.19273867452539237,0.13208484682338428,0.198519207045439
EOS-5-04408,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3cc(-n4ccnc4)ncn3)n12,BGUFSEXYYIJLLR-UHFFFAOYSA-N,5,1,0.27,60,869,485.512,2.714,6,0.34,0.63,1.0,0.09352511822356246,0.13109108354465082,0.15106058529230348,0.1363683092317182,0.12801127407305873
EOS-5-04409,CC(C)(C)C(=O)NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,DQIPDGNGIVLRDC-UHFFFAOYSA-N,5,1,0.388,78,793,412.454,2.506,4,0.513,0.6,0.999,0.1244431498869166,0.1573058734836543,0.034978754026454666,0.010391679802618053,0.08177986429991091
EOS-5-04410,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccco5)nn4)n23)ccc1-c1cccnc1,PEXWTAXYXYPQMC-UHFFFAOYSA-N,5,1,0.33,60,217,490.527,4.202,6,0.335,0.67,1.0,0.2487492289767665,0.09206017407991228,0.3858285929682681,0.3098742375436913,0.2591280583921596
EOS-5-04411,COc1cc(-c2nnc3cncc(CNCC4COC4)n23)ccc1-c1ncsn1,QUSWDSGNNZLVSX-UHFFFAOYSA-N,5,1,0.383,5,75,409.475,2.054,5,0.495,0.68,1.0,0.26195942704406827,0.06463744774175861,0.048377424439723114,0.05788671098622439,0.10821525255294359
EOS-5-04412,O=C(NCc1cncc2nnc(-c3ccc(-c4cocn4)cc3Cl)n12)C1CCC1,UHELLNQREBSZBW-UHFFFAOYSA-N,5,1,0.404,78,753,408.849,3.516,5,0.542,0.81,1.0,0.2211208964430128,0.19479473648139264,0.034987320951271335,0.18860941676375848,0.1598780926598588
EOS-5-04413,COc1cc(-c2nnc3cncc(CNCc4cc(-c5ccncc5)ncn4)n23)ccc1-c1ccoc1,JROZRRUWBLOHGW-UHFFFAOYSA-N,5,1,0.324,60,149,490.527,4.202,6,0.335,0.59,1.0,0.25386368309231716,0.07902988143376054,0.48273764649441436,0.37677335343705026,0.29810114111438557
EOS-5-04414,COc1cc(-c2nnc3cncc(CNC4CCN(CC(F)F)CC4)n23)ccc1-c1cnsc1,MVOPOMACPXIMHF-UHFFFAOYSA-N,5,1,0.363,5,123,485.564,3.743,5,0.407,0.64,1.0,0.1164587759577822,0.07209923925707629,0.10737783565211431,0.2614197107806182,0.13933889041189776
EOS-5-04415,NC(=O)c1ccc(-c2nnc3cncc(CNc4ccnc(-c5ccncc5)n4)n23)cc1,QEILDHLWEZMJPZ-UHFFFAOYSA-N,5,1,0.398,14,357,423.44,2.354,5,0.425,0.8,1.0,0.08179699814954423,0.0011394010006168186,0.16036426564320472,0.08360461928586115,0.08172632101980673
EOS-5-04416,CCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12,WFDMCOVNDGADII-UHFFFAOYSA-N,5,1,0.354,78,75,409.494,3.585,5,0.502,0.56,1.0,0.1965081214447262,0.19944657665684326,0.2562538551161675,0.3859827976149681,0.25954783770817624
EOS-5-04418,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccco5)nn4)n23)ccc1-c1ccnnc1,NNOPVIXDMLQKSY-UHFFFAOYSA-N,5,1,0.311,60,84,491.515,3.597,6,0.337,0.56,1.0,0.28880816941950516,0.0859862243848948,0.3187153039544925,0.24059351655129874,0.23352580357754776
EOS-5-04419,COc1cc(-c2nnc3cncc(CNCc4cc(-c5ncccn5)ncn4)n23)ccc1-c1cnco1,CVSFLFRVDDQPOQ-UHFFFAOYSA-N,5,1,0.303,60,149,492.503,2.992,6,0.335,0.58,1.0,0.31524569940374203,0.11431704475361525,0.1828610102117744,0.11431704475361525,0.18168519978068673
EOS-5-04420,COc1cc(-c2nnc3cncc(CNCc4ccc(C(F)(F)F)cc4)n23)ccc1-c1cnsc1,FSMUQXWZVWOZQT-UHFFFAOYSA-N,5,1,0.381,14,257,496.518,5.232,5,0.332,0.69,1.0,0.43726440956754165,0.36918305804948254,0.9734939346172298,0.9207388115961894,0.6751700534576108
EOS-5-04421,Cc1cnc(-c2ccc(-c3nnc4cncc(CNCc5cc(-n6cncn6)ncn5)n34)cn2)nc1,VMYORSPCPROTOJ-UHFFFAOYSA-N,5,1,0.265,60,644,477.496,1.612,6,0.357,0.68,0.913,0.062058803371941605,0.008961003358234527,0.040495853608388734,0.02506682201357001,0.03414562058803372
EOS-5-04422,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3cccc(-n4cncn4)n3)n12,XHMQZJSAZMTDPS-UHFFFAOYSA-N,5,1,0.305,60,663,485.512,2.714,6,0.363,0.65,0.932,0.08626893290384484,0.14568055650743608,0.1892947707490919,0.202599204989377,0.15596086628743744
EOS-5-04423,Fc1cncnc1COc1cncc2nnc(-c3ccnc(-c4cccnc4)c3)n12,DYMBYRGUJYTEKL-UHFFFAOYSA-N,5,1,0.506,75,496,400.377,2.756,5,0.444,0.65,1.0,0.6324360907408677,0.585540744294428,0.42924576793914054,0.4145791926530053,0.5154504489068604
EOS-5-04424,COc1cc(-c2nnc3cncc(CNCc4cnc5c(F)nn(C)c5c4)n23)ccc1-c1cccnc1,BLXHDVRHLWLHOF-UHFFFAOYSA-N,5,1,0.327,60,149,495.522,3.573,6,0.358,0.6,1.0,0.3606589678568981,0.41188061133575493,0.3969056267562196,0.32817318895209374,0.3744045987252416
EOS-5-04425,Fc1cncnc1COc1cncc2nnc(-c3cncc(-c4cccnn4)c3)n12,GCTAAOMQNWNCBJ-UHFFFAOYSA-N,5,1,0.43,2,875,401.365,2.151,5,0.436,0.68,0.999,0.5538431224727571,0.5100747035844013,0.307484065519841,0.3066616407374409,0.4195158830786101
EOS-5-04426,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4ccnc4)nn3)n12,SJNYACRDWSNGQQ-UHFFFAOYSA-N,5,1,0.291,60,84,485.512,2.714,6,0.363,0.58,0.998,0.09353368514837913,0.12434034678911658,0.19610547597834282,0.2084332807895278,0.15560319717634158
EOS-5-04427,CCCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5cncs5)c(OC)c4)n23)CC1,HFVRGBIBQHVIMO-UHFFFAOYSA-N,5,1,0.34,5,123,477.638,4.278,5,0.385,0.83,1.0,0.06552840792269207,0.0075817284627510105,0.0038808169419505176,0.018196148310602425,0.023796775409499007
EOS-5-04428,Fc1cc(-c2ccc(-c3nnc4cncc(CNCC(F)F)n34)cc2F)ccn1,WNEQTYKMXWEEDH-UHFFFAOYSA-N,5,1,0.36,66,225,402.355,3.486,4,0.395,0.74,1.0,0.4536615036666438,0.5329655266945378,0.9446233979850592,0.9413679665547255,0.7181545987252416
EOS-5-04429,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)c(F)c4)n23)cc1F,QGPYSVWYLGZYLE-UHFFFAOYSA-N,5,1,0.351,0,21,490.514,4.112,5,0.465,0.92,1.0,0.20481803851689398,0.16493900349530533,0.015651771640052086,0.10504763210198068,0.12261411143855802
EOS-5-04430,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5CC5C)n34)cc2F)cs1,ACVVXUZDKSVFQI-UHFFFAOYSA-N,5,1,0.35,78,75,408.506,4.108,5,0.52,0.63,1.0,0.2239993831814132,0.21360770337879514,0.4585189500376945,0.48927421012953193,0.34635006168185867
EOS-5-04431,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5CC5)n34)c(F)c2)cs1,OJBDEXKNJMFZHW-UHFFFAOYSA-N,5,1,0.404,78,753,408.462,3.389,5,0.547,0.86,1.0,0.23217222945651428,0.1948033034062093,0.05206120211089028,0.1342351449523679,0.15331796998149544
EOS-5-04434,CCc1nc(-c2nnc3cncc(CCC4CCCC4)n23)ccc1-c1ncc(C)cn1,WNBWWSQHORYYPC-UHFFFAOYSA-N,5,1,0.316,78,878,413.529,4.637,5,0.458,0.75,0.013,0.12149612774998286,0.09540127475841272,0.001619148790350216,0.01040024672743472,0.05722919950654513
EOS-5-04435,Fc1nc(-c2cnsc2)ccc1-c1nnc2cncc(CNCc3cc(-n4ccnc4)ncn3)n12,OJWRVUJQQKXSEW-UHFFFAOYSA-N,5,1,0.268,60,869,485.512,2.714,6,0.34,0.6,1.0,0.0935422520731958,0.12068226989239943,0.17962271263107396,0.1639109725173052,0.1394395517784936
EOS-5-04436,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4ncccc4F)n23)ccn1,JRVLXGOGQKDXNU-UHFFFAOYSA-N,5,1,0.529,7,420,402.393,2.7,5,0.446,0.62,1.0,0.4973870879309163,0.4118891782605716,0.30406586251799056,0.2761890891645535,0.372382804468508
EOS-5-04437,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ncnn5)ncn4)n23)ccc1-n1ccnc1,XERIKYMZLRGRJC-UHFFFAOYSA-N,5,1,0.279,60,644,481.484,1.041,6,0.332,0.64,0.999,0.08860770337879514,0.009809128915084642,0.057689671715441024,0.031654787197587554,0.04694032280172709
EOS-5-04438,Fc1cncnc1COc1cncc2nnc(-c3ccnc(-c4ccnnc4)c3)n12,LLVYBTQIPMBPQZ-UHFFFAOYSA-N,5,1,0.472,7,496,401.365,2.151,5,0.436,0.6,1.0,0.5512901788773902,0.4968645055170996,0.34828832842162977,0.3281817558769104,0.4311561921732575
EOS-5-04439,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNC(=O)C3CCC3)n12,JKLYBOLFJOLMKM-UHFFFAOYSA-N,5,1,0.363,5,753,415.482,3.203,5,0.536,0.87,1.0,0.09355081899801247,0.07210780618189294,0.021443012816119527,0.08897608114591186,0.0690194297854842
EOS-5-04441,COc1cc(-c2nnc3cncc(CNCC4COC4)n23)ccc1-c1cncs1,NPKNXAHRDXNAAY-UHFFFAOYSA-N,5,1,0.383,5,75,408.487,2.659,5,0.503,0.72,1.0,0.26995236789801935,0.10478205743266397,0.14787368926050304,0.15333082036872045,0.16898473373997672
EOS-5-04442,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNC(=O)C(C)C)n23)cc1F,IFTNURALJJMIQG-UHFFFAOYSA-N,5,1,0.42,78,753,407.453,3.086,4,0.53,0.78,1.0,0.2619679939688849,0.22408505242957988,0.14788225618531972,0.08014358165992735,0.17851972106092795
EOS-5-04443,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccncc5)nn4)n23)ccc1-c1ncon1,FXXFAWASOCOXIO-UHFFFAOYSA-N,5,1,0.323,60,84,492.503,2.992,6,0.335,0.57,1.0,0.3100198752655747,0.11141285724076486,0.18615070934137481,0.12351792200671646,0.1827753409636077
EOS-5-04444,CCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5csnn5)c(OC)c4)n23)CC1,JJXQNBAMVBVJHN-UHFFFAOYSA-N,5,1,0.349,5,123,464.599,3.282,5,0.425,0.84,1.0,0.03810568158453841,0.003975053114933864,0.0028270851895003768,0.010408813652251388,0.01382915838530601
EOS-5-04445,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNCC3CCCO3)n12,RLKCDMHSBOZVFH-UHFFFAOYSA-N,5,1,0.343,78,75,411.466,2.718,5,0.522,0.67,1.0,0.1462631073949695,0.14194537728736892,0.05206976903570694,0.16932526900143924,0.12740088067987115
EOS-5-04446,O=C(NCc1cncc2nnc(-c3ccc(-c4nncs4)cc3F)n12)C1CCC1,NVYJFBQIQVHINZ-UHFFFAOYSA-N,5,1,0.4,78,753,409.45,2.865,5,0.544,0.84,1.0,0.19928380508532656,0.16494757042012198,0.012113631690768283,0.06721609211157563,0.11089027482694812
EOS-5-04448,COc1cc(-c2nnc3cncc(CNC(=O)C(C)C)n23)ccc1-c1cncs1,PSPWULXMAJTVAZ-UHFFFAOYSA-N,5,1,0.412,5,966,408.487,3.196,4,0.527,0.83,1.0,0.27773970255637037,0.08913885271742855,0.14191967651291892,0.04561887464875608,0.13860427660886848
EOS-5-04450,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCOC5)n34)c(F)c2)cs1,LDBCOJQCNUZBDL-UHFFFAOYSA-N,5,1,0.33,78,830,410.478,3.241,5,0.544,0.64,1.0,0.1853539853334247,0.11727263381536564,0.17328318826673977,0.267562195874169,0.18586800082242477
EOS-5-04451,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ncc(F)cn1,KVANYZSHHSUJSJ-UHFFFAOYSA-N,5,1,0.367,5,741,405.437,3.038,5,0.527,0.88,1.0,0.37682475498595025,0.18173017613597423,0.08049482557741074,0.16391953944212184,0.20074232403536424
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EOS-5-04454,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5cnccn5)nc4)n23)ccc1-c1ccoc1,MTASQEZXVVDTJA-UHFFFAOYSA-N,5,1,0.337,60,149,490.527,4.202,6,0.335,0.65,1.0,0.2431378932218491,0.07904701528339388,0.4929494208758824,0.3736207251045165,0.29718876362141045
EOS-5-04455,COc1cc(-c2nnc3cncc(CNCc4cc(-c5ncccn5)ncn4)n23)ccc1-c1ccoc1,QJPOVZRMIRNXIA-UHFFFAOYSA-N,5,1,0.303,60,149,491.515,3.597,6,0.337,0.57,1.0,0.28335960523610443,0.07560311150709341,0.2672709204304023,0.19404941402234255,0.20507076279898567
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EOS-5-04458,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)ncn4)n23)ccc1-c1cocn1,BWZQRWLTLDITGU-UHFFFAOYSA-N,5,1,0.317,60,217,492.503,2.992,6,0.335,0.55,1.0,0.2944966074977726,0.13109965046946748,0.2748269481187033,0.1721266534164896,0.21813746487560826
EOS-5-04459,COc1cc(-c2nnc3cncc(CNCCOc4ccccc4Cl)n23)ccc1-c1cnsc1,JQRPHGSSYVQEON-UHFFFAOYSA-N,5,1,0.381,14,257,492.992,4.745,5,0.297,0.7,1.0,0.277748269481187,0.22409361935439653,0.6153193749571654,0.5650743609074087,0.4205589061750394
EOS-5-04460,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)cc4)n23)nc1,AQBPVEJQWKYIOV-UHFFFAOYSA-N,5,1,0.337,0,782,441.495,2.968,5,0.52,0.89,0.999,0.03281132204783771,0.005251524912617367,0.0010451648276334727,0.0030669590843670756,0.010543742718113905
EOS-5-04461,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5cnco5)nn4)n23)ccc1-c1cccnc1,ANOVDRAZBPGPJE-UHFFFAOYSA-N,5,1,0.333,60,149,491.515,3.597,6,0.337,0.59,1.0,0.26462374066205196,0.1082602289082311,0.31111644164210817,0.2347251730518813,0.22968139606606813
EOS-5-04462,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(-c2nccs2)cn1,CAZOLVZATHGLOK-UHFFFAOYSA-N,5,1,0.307,52,878,468.59,4.576,6,0.374,0.77,0.73,0.03517579329723802,0.007590295387567679,0.018033376739085737,0.052215406757590295,0.028253718045370434
EOS-5-04463,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)ncn4)n23)ccc1-c1cnco1,YHEDWVLIXHVAHF-UHFFFAOYSA-N,5,1,0.321,60,149,492.503,2.992,6,0.335,0.56,1.0,0.2945051744225893,0.13110821739428416,0.2930059625796724,0.18574806387499143,0.2260918545678843
EOS-5-04464,O=C(Nc1cccc(Cl)c1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)cc1,NVOPQFXGYBHUAT-UHFFFAOYSA-N,5,1,0.474,62,504,494.864,5.836,5,0.31,0.82,1.0,0.2646323075868686,0.5516414227948736,0.9433897608114591,0.927840792269207,0.6718760708656021
EOS-5-04465,CCCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsc5)c(OC)c4)n23)CC1,AWWYBDQVTUVKMM-UHFFFAOYSA-N,5,1,0.34,5,123,477.638,4.278,5,0.385,0.71,1.0,0.06381502295935851,0.005260091837434035,0.004506202453567268,0.024098759509286548,0.024420019189911588
EOS-5-04466,N#Cc1ccnc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)c1F,SMXQMDWOSYGYNE-UHFFFAOYSA-N,5,1,0.653,90,400,394.797,3.472,4,0.515,0.79,0.999,0.9754043588513467,0.9884346514974984,0.8270594887259269,0.8636488246179151,0.9136368309231718
EOS-5-04467,FC(F)Oc1cc(NCc2cncc3nnc(-c4ccc(Cl)cn4)n23)ncn1,KIOWNZQXCSULJU-UHFFFAOYSA-N,5,1,0.343,68,244,404.768,2.843,4,0.523,0.83,1.0,0.3584487012541978,0.330229250908094,0.6001559180316633,0.5684839969844425,0.4643294667945994
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EOS-5-04469,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1cccnc1,MBXIBAWRYMXYNI-UHFFFAOYSA-N,5,1,0.396,5,743,416.485,3.131,5,0.517,0.85,1.0,0.1272359673771503,0.0029898567610170653,0.11582482352134878,0.1940579809471592,0.11002715715166883
EOS-5-04470,CCc1ccc(-c2ccc(-c3nnc4cncc(CNC(=O)CO)n34)c(F)n2)cn1,NDFXQDWBHUBUPK-UHFFFAOYSA-N,5,1,0.373,78,753,407.409,1.558,4,0.466,0.79,1.0,0.272565279967103,0.1817387430607909,0.12166746624631622,0.07858440134329381,0.163638972654376
EOS-5-04471,Fc1ccccc1-n1ncc(-c2nnc3cncc(CNCc4cccc(-n5ncnn5)n4)n23)n1,MSNTYWWZBZDULW-UHFFFAOYSA-N,5,1,0.27,60,644,469.448,1.172,6,0.362,0.57,0.361,0.029101843602220547,0.024527105750119935,0.027842505654170378,0.03931361798368858,0.03019626824754986
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EOS-5-04478,COc1cc(-c2nnc3cncc(CNCc4ccnc(C(F)(F)F)c4)n23)ccc1-c1cscn1,ZEQMKFQKFAHKIR-UHFFFAOYSA-N,5,1,0.361,14,257,497.506,4.627,5,0.351,0.73,1.0,0.48511925159344804,0.3880902611198684,0.9087536837776712,0.7441916249742992,0.6315387053663217
EOS-5-04479,Cc1ncc(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6csnn6)nc5F)n34)on2)o1,BIYOFFSAWBYOBN-UHFFFAOYSA-N,5,1,0.273,60,869,490.484,3.085,6,0.329,0.55,1.0,0.16299431156192173,0.2544033993557673,0.0805033925022274,0.07474641902542663,0.14316188061133578
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EOS-5-04491,CCn1nccc1-c1ccc(-c2nnc3cncc(COc4ccnc(C)c4)n23)nn1,IAQMTXDXSWEBDA-UHFFFAOYSA-N,5,1,0.294,53,920,413.445,2.747,5,0.418,0.65,0.89,0.11908882187649922,0.07561167843191008,0.07412103351380989,0.05223254060722363,0.08026351860736071
EOS-5-04492,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5csnn5)cn4)n23)ccn1,ZCXFHNFFMYBSCS-UHFFFAOYSA-N,5,1,0.337,85,920,406.406,2.818,5,0.411,0.63,1.0,0.25387225001713387,0.3545850181618806,0.34046672606401207,0.3379566170927284,0.32172015283393873
EOS-5-04493,CCCN1CCC(NCc2cncc3nnc(-c4ccc(-n5ccnc5)c(OC)c4)n23)CC1,SXJFBYVTLGHYCA-UHFFFAOYSA-N,5,1,0.339,5,123,446.559,2.95,5,0.445,0.81,1.0,0.04107840449592214,0.0004711808649167295,0.004711808649167295,0.018204715235419094,0.016116527311356314
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EOS-5-04496,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cnc(C)nc1CC,YCOPVBBNMRTAJI-UHFFFAOYSA-N,5,1,0.268,78,878,428.544,3.719,5,0.479,0.78,0.986,0.03811424850935508,0.006982043725584264,0.005003084092934,0.008995271057501199,0.014773661846343636
EOS-5-04497,COc1cc(-c2nnc3cncc(CNC(=O)C(C)C)n23)ccc1-c1ccsn1,BUBQLASWIBMARM-UHFFFAOYSA-N,5,1,0.404,5,966,408.487,3.196,4,0.527,0.78,1.0,0.26464944143650193,0.08600335823452813,0.1242289767664999,0.0405044205332054,0.12884654924268385
EOS-5-04498,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)ncn4)n23)ccc1-c1ccco1,YZUVCIRKZAWYCN-UHFFFAOYSA-N,5,1,0.317,60,217,491.515,3.597,6,0.337,0.67,1.0,0.25633952436433416,0.0984425330683298,0.3632890137756151,0.25832705092180114,0.24409953053252004
EOS-5-04499,COCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)cn1,IDKMJMQJFKVLIK-UHFFFAOYSA-N,5,1,0.813,90,948,397.385,3.232,4,0.477,0.75,1.0,0.8760622986772668,0.8652936741827154,0.8270680556507436,0.7571105475978342,0.83138364402714
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EOS-5-04501,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)ncn4)n23)ccc1-c1ccoc1,LVWISXBRZAZNIT-UHFFFAOYSA-N,5,1,0.321,60,149,491.515,3.597,6,0.337,0.59,1.0,0.2619765608937016,0.09206874100472895,0.39691419368103625,0.29101843602220545,0.26049448290041805
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EOS-5-04503,Cc1cnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6ccnc6)nn5)n34)cn2)cn1,HVFREHUNTGBSSO-UHFFFAOYSA-N,5,1,0.295,60,869,476.508,2.217,6,0.365,0.62,1.0,0.05000514015489,0.007598862312384346,0.07842162977177712,0.0534661777808238,0.04737295250496881
EOS-5-04504,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3ccnc(-n4cnnc4)c3)n12,VHSDAPVAYMBCBY-UHFFFAOYSA-N,5,1,0.278,60,84,485.512,2.714,6,0.363,0.61,1.0,0.07544890686039339,0.13112535124391747,0.3040744294428072,0.2970581180179563,0.20192670139126861
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EOS-5-04506,COc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)cc4)n23)cc1C(F)(F)F,JJGIXGILZVGUNM-UHFFFAOYSA-N,5,1,0.437,0,21,495.505,5.502,5,0.374,0.91,1.0,0.3446302515249126,0.3880988280446851,0.26004900280995136,0.43369200191899115,0.35661752107463507
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EOS-5-04508,COc1cc(-c2nnc3cncc(CNCc4cccc(C(F)(F)F)n4)n23)ccc1-c1cncs1,UKCAVGNCAHIBOY-UHFFFAOYSA-N,5,1,0.36,60,41,497.506,4.627,5,0.351,0.7,1.0,0.4627510108971284,0.41189774518538824,0.8763792748954835,0.6931156192173258,0.6110359125488315
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EOS-5-04522,CCCCN(Cc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12)C(=O)C(=O)OC,UQZCSIMKBQRDRY-UHFFFAOYSA-N,5,1,0.387,5,743,480.55,3.225,4,0.279,0.72,1.0,0.067490233705709,0.00836988554588445,0.004257761633883901,0.000942361729833459,0.0202650606538277
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EOS-5-04526,COc1cc(-c2nnc3cncc(CNCc4cc(-n5nccn5)n[nH]4)n23)ccc1-c1cscn1,GZGDNMJBVUHEQJ-UHFFFAOYSA-N,5,1,0.29,60,84,485.537,2.517,6,0.333,0.49,1.0,0.1007813035432801,0.049216983071756565,0.09248852032074567,0.05490542115002399,0.07434805702145159
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EOS-5-04532,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccc(-n4ccnn4)nn3)n12,DGHFWGVTMAQWTG-UHFFFAOYSA-N,5,1,0.291,60,84,486.5,2.109,6,0.357,0.6,0.995,0.0818055650743609,0.14568912343225277,0.08292783222534439,0.1030429716948804,0.10336637310670962
EOS-5-04533,Cn1ccnc1-c1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccn1,OBYIXXVWARMJCA-UHFFFAOYSA-N,5,1,0.523,75,420,402.393,2.7,5,0.417,0.62,1.0,0.46765129189226234,0.397436776094853,0.31500582550887535,0.27301076005756975,0.36327616338839014
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EOS-5-04535,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4ncsn4)c(OC)c3)n12,SLQPPXSLRRQHDQ-UHFFFAOYSA-N,5,1,0.404,5,966,411.447,1.581,4,0.487,0.77,1.0,0.182484065519841,0.024535672674936605,0.03906517716400521,0.01223356863820163,0.0645796209992461
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EOS-5-04542,Clc1ccc(-c2nnc3cncc(OCc4cccc(-n5ccnn5)n4)n23)cn1,SHUIMQGGABEYIW-UHFFFAOYSA-N,5,1,0.489,55,390,405.809,2.394,5,0.41,0.65,1.0,0.2406277842505654,0.43888355835789183,0.23864882461791515,0.27619765608937014,0.29858945582893565
EOS-5-04543,COc1cc(-c2nnc3cncc(CNCC4COC4)n23)ccc1-c1cnsc1,KETKSXSWOSXQAH-UHFFFAOYSA-N,5,1,0.383,5,75,408.487,2.659,5,0.503,0.69,1.0,0.24875779590158317,0.08914741964224522,0.17329175519155643,0.18861798368857516,0.17495373860599
EOS-5-04544,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cnnn4)nn3)n12,HYAXIOFNSFFHHC-UHFFFAOYSA-N,5,1,0.284,60,644,487.488,1.504,6,0.349,0.6,0.969,0.09356795284764581,0.15354499348913714,0.06358371598930848,0.08717702693441162,0.09946842231512576
EOS-5-04545,O=C(NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3F)n12)C1CCC1,GJJSKQNQHHUPFU-UHFFFAOYSA-N,5,1,0.427,78,753,409.45,2.865,5,0.544,0.83,1.0,0.1738057706805565,0.16495613734493866,0.011017065314234803,0.06226440956754164,0.1030108457268179
EOS-5-04546,Cn1ncnc1-c1ccc(-c2nnc3cncc(CCC4CCCC4)n23)c(Cl)c1,QFKFOTIYDOFVAZ-UHFFFAOYSA-N,5,1,0.396,78,830,407.909,4.363,5,0.491,0.77,0.995,0.18817250359810841,0.30076759646357343,0.008198547049551093,0.1482592008772531,0.16134946199712152
EOS-5-04547,CCCCCc1cncc2nnc(-c3ccc(-c4ccc(C(=O)N(C)C)nc4)nn3)n12,RLNRYHYRAVLJPA-UHFFFAOYSA-N,5,1,0.337,78,878,416.489,3.078,4,0.427,0.79,0.783,0.07147385374545953,0.04203790007538894,0.0047203755739839625,0.0015848810910835446,0.02995425262147899
EOS-5-04548,COc1cc(-c2nnc3cncc(CNC(=O)CCCCC4CCCCC4)n23)ccc1-c1cnco1,QGICWRVWFNWVCO-UHFFFAOYSA-N,5,1,0.394,5,701,488.592,5.212,5,0.305,0.84,1.0,0.17948564183400725,0.024544239599753274,0.0021759989034336237,0.01087142759235145,0.0542693269823864
EOS-5-04549,COc1cc(-c2nnc3cncc(CNC(=O)C(C)C)n23)ccc1-c1cnsc1,MHZKEQFIKHFALD-UHFFFAOYSA-N,5,1,0.412,5,966,408.487,3.196,4,0.527,0.73,1.0,0.25634809128915087,0.07212494003152628,0.16359399629908847,0.05932595435542458,0.13784824549379754
EOS-5-04550,COc1cc(-c2nnc3cncc(CNCC4COC4)n23)ccc1-c1ccsn1,VTNNVCOFJCQGHN-UHFFFAOYSA-N,5,1,0.375,5,743,408.487,2.659,5,0.503,0.78,1.0,0.25146494414365017,0.07906414913302721,0.12689329038448358,0.1410458501816188,0.14961705846069495
EOS-5-04551,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1cccnn1,YBHVXJAWIFUTBW-UHFFFAOYSA-N,5,1,0.381,5,743,417.473,2.526,5,0.511,0.81,1.0,0.10078987046809677,0.001833321910766911,0.048385991364539783,0.09098074155301213,0.0604974813241039
EOS-5-04552,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5cc(-n6ccnc6)ncn5)n34)cc2)n1,DBTXHDGBFIXEFD-UHFFFAOYSA-N,5,1,0.3,60,644,476.508,2.217,6,0.365,0.59,1.0,0.046869645671989583,0.005285792611884038,0.09710609279692961,0.0672246590363923,0.05412154752929888
EOS-5-04553,CNC(=O)c1ccc(-c2nnc3cncc(-c4cnc(CC#N)cn4)n23)c(F)c1F,ZRCATZUFWREFPH-UHFFFAOYSA-N,5,1,0.34,68,26,406.356,1.952,4,0.55,0.73,0.996,0.24876636282639983,0.3257401823041601,0.5411897745185388,0.47131793571379615,0.3967535638407237
EOS-5-04554,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4cncs4)c(OC)c3)n12,SLIOIHMEDHSLCE-UHFFFAOYSA-N,5,1,0.404,5,966,410.459,2.186,4,0.498,0.82,1.0,0.19104242341169214,0.05292646151737372,0.1128092659858817,0.04696388184497293,0.10093550818998012
EOS-5-04556,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3cc(-n4cnnn4)ncn3)n12,BZGGRYYNYMRDAT-UHFFFAOYSA-N,5,1,0.291,60,644,487.488,1.504,6,0.326,0.6,0.967,0.09600095949557946,0.1419539442121856,0.03371941607840449,0.03488451785347132,0.07663970940991022
EOS-5-04557,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3cc(-n4cnnn4)ncn3)n12,DLRDQZBALVEECW-UHFFFAOYSA-N,5,1,0.276,60,644,487.488,1.504,6,0.349,0.62,0.998,0.09832259612089644,0.13113391816873415,0.08293639915016106,0.10093550818998012,0.10333210540744295
EOS-5-04558,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cccnc5OC)c(F)c4)n23)CC1,FLMHEMLGGHYXTP-UHFFFAOYSA-N,5,1,0.345,5,741,490.583,4.686,5,0.364,0.87,1.0,0.19651668836954286,0.10827736275786444,0.11872901103419917,0.2910355698718388,0.17863965800836135
EOS-5-04559,COc1cc(-c2nnc3cncc(CNCc4cccc(-c5cnco5)n4)n23)ccc1-c1ccnnc1,JAQKSEXHDMBFJW-UHFFFAOYSA-N,5,1,0.318,60,149,491.515,3.597,6,0.337,0.56,1.0,0.2563566582139675,0.06465458159139195,0.37073367144129943,0.2614454115550682,0.23829758070043178
EOS-5-04560,COc1cc(-c2nnc3cncc(CNCc4ccnc(-c5cnco5)n4)n23)ccc1-c1ccnnc1,WFODNCUSKLDFIP-UHFFFAOYSA-N,5,1,0.321,60,149,492.503,2.992,6,0.335,0.48,1.0,0.2916181207593722,0.07907271605784387,0.21691453635802893,0.1433589198821191,0.18274107326434105
EOS-5-04561,COc1cc(-c2nnc3cncc(CNCc4ccnc(C(F)(F)F)c4)n23)ccc1-c1nccs1,OYNQKJVHHVNYOT-UHFFFAOYSA-N,5,1,0.361,14,257,497.506,4.627,5,0.351,0.77,1.0,0.4514341032143102,0.3834298540196011,0.8852203413062847,0.6957113974367761,0.603948923994243
EOS-5-04562,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cccn4)nn3)n12,WXXRJCSSCUPNPJ-UHFFFAOYSA-N,5,1,0.293,60,84,485.512,2.714,6,0.363,0.59,1.0,0.062067370296758274,0.14569769035706942,0.15107771914193682,0.17746384757727365,0.13407665684325953
EOS-5-04563,Fc1ccc(COc2cncc3nnc(-c4cncnc4)n23)nc1-c1cncnc1,XWNQQIDIJCYUKJ-UHFFFAOYSA-N,5,1,0.506,7,435,401.365,2.151,5,0.436,0.66,1.0,0.4851278185182647,0.5239359879377699,0.34422760605852926,0.3219621684600096,0.41881339524364336
EOS-5-04564,COc1cc(-c2nnc3cncc(CNCC4(O)CC4)n23)ccc1-c1cscn1,SKLNBRKDMIXSFE-UHFFFAOYSA-N,5,1,0.378,5,743,408.487,2.538,5,0.485,0.68,1.0,0.26996950174765266,0.03231444040847097,0.07412960043862656,0.14826776780206977,0.131170327599205
EOS-5-04566,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)cnn4)n23)ccc1-c1ccoc1,LSVRRCSIFADXCJ-UHFFFAOYSA-N,5,1,0.311,60,149,491.515,3.597,6,0.337,0.59,1.0,0.24314646014666574,0.082576588307861,0.4078113220478377,0.31886094167637585,0.2630988280446851
EOS-5-04567,O=C(CCCCC1CCCCC1)NCc1cncc2nnc(-c3ccc(-c4cnsc4)nc3)n12,PIXVBOWIIGAOIS-UHFFFAOYSA-N,5,1,0.366,5,701,475.622,5.067,5,0.34,0.75,1.0,0.03147488177643753,0.019952367898019328,0.00062538551161675,0.005063052566650675,0.014278921938181071
EOS-5-04568,Fc1cncnc1COc1cncc2nnc(-c3ccnc(-c4ccncc4)c3)n12,UYLWSMSIXITTRB-UHFFFAOYSA-N,5,1,0.488,75,496,400.377,2.756,5,0.444,0.65,1.0,0.5843328078952779,0.5284850250154205,0.4514084024398602,0.427352477554657,0.49789467822630384
EOS-5-04569,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cc(F)ccc5F)s4)n23)cc1F,LPQBJMSHXAFRCR-UHFFFAOYSA-N,5,1,0.412,45,140,494.458,4.288,5,0.378,0.76,1.0,0.26465800836131864,0.3739034336234665,0.7460249468850662,0.7067455966006443,0.5228329963676239
EOS-5-04570,FCc1cc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(F)n2)ncn1,IORATOJPJQXJRF-UHFFFAOYSA-N,5,1,0.33,78,793,408.416,2.894,5,0.49,0.7,0.999,0.19929237201014324,0.17766088684805703,0.05588205057912412,0.17747241450209034,0.1525769309848537
EOS-5-04572,O=C(CCCCC1CCCCC1)NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,BKLXTENCOKYUBK-UHFFFAOYSA-N,5,1,0.372,5,701,475.622,5.067,5,0.34,0.85,1.0,0.0314834487012542,0.018290384483585772,0.00043691316565005827,0.003666643821533822,0.013469347543005963
EOS-5-04573,OCc1ccnc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)n1,ZICVEHHIABOVRP-UHFFFAOYSA-N,5,1,0.344,78,830,405.437,2.522,5,0.508,0.89,1.0,0.3224076485504763,0.21871359056952916,0.08788808169419506,0.22911383729696388,0.21453078952779112
EOS-5-04574,COCc1ccc(-c2nnc3cncc(OCCc4ccc(F)c(F)n4)n23)cn1,KNHNEQSZJWKRLX-UHFFFAOYSA-N,5,1,0.557,90,385,398.373,2.627,4,0.442,0.67,1.0,0.7297906243574807,0.7905386882324721,0.5679785484202591,0.4772719484613803,0.6413949523678981
EOS-5-04575,COc1cc(-c2nnc3cncc(CNC4CCC(CCO)CC4)n23)ccc1-c1ncc(Cl)cn1,WYRGCCWKGZBITE-UHFFFAOYSA-N,5,1,0.357,5,741,493.999,3.941,5,0.379,0.74,1.0,0.327624905763827,0.13835583578918512,0.05207833596052361,0.21461860050716194,0.18316941950517443
EOS-5-04577,N#Cc1cc(-c2nnc3cncc(OCCc4ccnc(Cl)c4)n23)ccc1F,BBIMPLUTJAYIQC-UHFFFAOYSA-N,5,1,0.636,90,636,394.797,3.472,4,0.481,0.69,1.0,0.9726543759851963,0.9802532382975807,0.9058494962648208,0.9098502501542046,0.9421518401754506
EOS-5-04578,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)ncn4)n23)ccc1-c1nnco1,NLWRNHXVXBSHHE-UHFFFAOYSA-N,5,1,0.311,60,869,493.491,2.387,6,0.331,0.59,1.0,0.30218970598314027,0.13459495579466796,0.1698135837159893,0.09887944623397985,0.17636942293194433
EOS-5-04579,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4cc(-n5cncn5)nn4C)n23)c(F)c1,OUELPNRLENQKBH-UHFFFAOYSA-N,5,1,0.289,60,644,484.503,1.935,6,0.365,0.59,1.0,0.05683297923377424,0.10828592968268111,0.11005928311973134,0.09285689808786238,0.09200877253101228
EOS-5-04580,COc1cc(-c2nnc3cncc(CNCc4cc(-c5ccncn5)on4)n23)ccc1-c1ccnnc1,RLEPKVUHNFGPFW-UHFFFAOYSA-N,5,1,0.295,60,149,492.503,2.992,6,0.335,0.52,1.0,0.2805753546706874,0.08258515523267768,0.260057569734768,0.18043657048865738,0.2009136625316976
EOS-5-04581,c1cc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6ccnc6)nc5)n34)nn2)ccn1,DEOMROABAFCFNY-UHFFFAOYSA-N,5,1,0.262,60,869,461.493,2.514,6,0.382,0.66,0.81,0.03013844150503735,0.0011479679254334863,0.17963127955589062,0.1533393872935371,0.09106426906997464
EOS-5-04582,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cc(F)ncn1,CXTZFMQZWKAQDJ-UHFFFAOYSA-N,5,1,0.348,5,741,405.437,3.038,5,0.493,0.83,1.0,0.3327393598793777,0.1776694537728737,0.14192824343773558,0.23775786443698171,0.22252373038174217
EOS-5-04584,COCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)c4)n23)CC1,XUWFCSIFWZJNHR-UHFFFAOYSA-N,5,1,0.394,5,123,479.61,3.124,5,0.392,0.88,1.0,0.06382358988417518,0.002287368926050305,0.005011651017750668,0.016482763347268864,0.021901343293811253
EOS-5-04585,CCc1csc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)n1,BBBHTERFJSZFAZ-UHFFFAOYSA-N,5,1,0.348,78,830,408.506,4.258,5,0.516,0.86,1.0,0.19652525529435955,0.15731444040847098,0.05208690288534028,0.1721352203413063,0.14451545473236926
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EOS-5-04587,Cc1ccnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-c6cccnn6)nn5)n34)cn2)n1,DANGIUVIOOEADZ-UHFFFAOYSA-N,5,1,0.311,60,84,488.519,2.489,6,0.354,0.66,1.0,0.16016722637242137,0.029384552121170585,0.05769823864025769,0.04423959975327257,0.07287240422178055
EOS-5-04588,N#Cc1nc(-c2cncc3nnc(-c4cc(-c5ncon5)ccc4F)n23)ccc1F,NTEQYBKBNQHCMX-UHFFFAOYSA-N,5,1,0.341,22,575,402.324,3.053,5,0.452,0.77,1.0,0.4098502501542046,0.49687307244191625,0.6999777259954767,0.7229370845041464,0.582409533273936
EOS-5-04589,Cn1ccnc1-c1ccc(-c2nnc3cncc(COc4ccnc(F)c4)n23)nc1,LPPQTNWESANSHF-UHFFFAOYSA-N,5,1,0.347,85,920,402.393,2.7,5,0.417,0.77,1.0,0.4324926324446577,0.4209444177917895,0.3707422383661161,0.3159995887876088,0.38504471934754303
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EOS-5-04592,c1cn(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6ccsc6)nn5)n34)cn2)cn1,MUQCNEYCMZTMRT-UHFFFAOYSA-N,5,1,0.25,60,869,466.534,3.18,6,0.382,0.65,0.956,0.026805907751353573,0.002998423685833733,0.1666438215338222,0.1533479542183538,0.08744902679734082
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EOS-5-04594,CCc1nc(-c2nnc3cncc(CNCC4CC4CC)n23)ccc1-c1nccs1,SEEASQSWEWBPEV-UHFFFAOYSA-N,5,1,0.31,78,878,419.558,4.008,5,0.465,0.58,0.293,0.04554177232540607,0.019960934822835993,0.039073744088821874,0.07274175861832637,0.04432955246384758
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EOS-5-04596,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3cc(-n4cccn4)ncn3)n12,SKLQHERHXDQEBP-UHFFFAOYSA-N,5,1,0.27,60,869,485.512,2.714,6,0.34,0.6,1.0,0.062075937221574944,0.1172812007401823,0.11584195737098212,0.11191830580494826,0.10177935028442191
EOS-5-04597,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,NVSAISOVIIXOGS-UHFFFAOYSA-N,5,1,0.396,5,966,410.459,2.186,4,0.498,0.88,1.0,0.18249263244465766,0.03232300733328764,0.07615139469536016,0.025983482968953465,0.07923762936056473
EOS-5-04599,c1cn(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6csnn6)nc5)n34)cn2)cn1,SPHFCGVGHUATPW-UHFFFAOYSA-N,5,1,0.284,60,869,467.522,2.575,6,0.377,0.65,1.0,0.019284147762319237,0.012559111781235009,0.12690185730930026,0.10505619902679735,0.06595032896991296
EOS-5-04600,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(F)nn1,XIQKKRPNRVEGJA-UHFFFAOYSA-N,5,1,0.363,5,741,405.437,3.038,5,0.527,0.75,1.0,0.32504626139401,0.17767802069769037,0.11281783291069837,0.21462716743197863,0.20754232060859434
EOS-5-04602,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cn[nH]c5)ncn4)n23)ccc1-c1ccccn1,MIAWYYFMPBOQHN-UHFFFAOYSA-N,5,1,0.311,60,217,490.531,3.332,6,0.33,0.6,1.0,0.17949420875882394,0.10162942910013022,0.3259543554245768,0.23183811938866425,0.2097290281680488
EOS-5-04603,CCc1nc(-c2nnc3cncc(CN(C)c4cncn4C)n23)ccc1-c1cccnc1,ZGKAJMQZOCDZDS-UHFFFAOYSA-N,5,1,0.291,85,690,425.5,3.181,5,0.413,0.62,0.974,0.03394215612363786,0.005294359536700706,0.06760160372832567,0.03687204441093825,0.035927540949900624
EOS-5-04604,CCNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(-c5csnn5)c(F)c4)n23)cc1F,FMLGKIXIEGGNKK-UHFFFAOYSA-N,5,1,0.361,14,678,492.515,3.95,5,0.354,0.8,1.0,0.1936125008566925,0.2595264203961346,0.4793023096429306,0.4045387567678706,0.3342449969159071
EOS-5-04605,Cn1cncc1-c1ccc(-c2nnc3cncc(COc4ccnc(F)c4)n23)nn1,JEEQGGKXYVTAEU-UHFFFAOYSA-N,5,1,0.308,53,920,403.381,2.095,5,0.411,0.62,0.951,0.38602563223905145,0.3400212459735453,0.25303269138510043,0.23474230690151462,0.303455469124803
EOS-5-04606,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNC3CCOCC3)n12,BZZOYBQXXYVXEZ-UHFFFAOYSA-N,5,1,0.343,78,830,411.466,2.718,5,0.54,0.78,1.0,0.12725310122678363,0.0860119251593448,0.0405044205332054,0.15603796861078748,0.10245185388253034
EOS-5-04607,Cc1csc(-c2ccc(-c3nnc4cncc(CNCc5cc(-n6cncn6)ncn5)n34)cn2)c1,JCXYNSGIVOUJKB-UHFFFAOYSA-N,5,1,0.27,60,644,481.549,2.884,6,0.366,0.6,0.744,0.04687821259680625,0.03233157425810431,0.09471592077307929,0.07275032554314304,0.061669008292783226
EOS-5-04608,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4cnsc4)c(OC)c3)n12,IEKSJHSPXQPJOM-UHFFFAOYSA-N,5,1,0.404,5,966,410.459,2.186,4,0.498,0.75,1.0,0.17658145432115688,0.03537283256802138,0.1358028921938181,0.05933452128024125,0.1017729250908094
EOS-5-04609,N#Cc1nc(CCOc2cncc3nnc(-c4ccc(Cl)nc4)n23)ccc1F,BWBIIVZPWUEZGW-UHFFFAOYSA-N,5,1,0.545,90,281,395.785,2.867,4,0.479,0.69,1.0,0.9090449592214379,0.9703584401343294,0.6391097251730519,0.669565142896306,0.7970195668562813
EOS-5-04610,N#Cc1cscc1-c1ccc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)cc1,AMFPKULLXWNEJK-UHFFFAOYSA-N,5,1,0.299,60,84,490.556,3.657,6,0.36,0.7,1.0,0.17381433760537318,0.11142142416558153,0.3785552737989171,0.36383729696388184,0.2569070831334384
EOS-5-04611,N#Cc1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1F,RNILQVITKHMWFN-UHFFFAOYSA-N,5,1,0.598,90,400,394.797,3.472,4,0.515,0.73,1.0,0.9707867863751628,0.9754900280995134,0.8683349324926325,0.882941539305051,0.9243883215680899
EOS-5-04612,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC(F)F)n34)c(F)c2)cs1,HMJMDVYUFBEXFF-UHFFFAOYSA-N,5,1,0.347,66,225,404.421,3.717,4,0.531,0.85,0.993,0.32505482831882665,0.33509526420396135,0.7337057089986978,0.6957199643615928,0.5223939414707697
EOS-5-04613,Cc1ncc(-c2ccc(-c3nnc4cncc(CNC5CCCC5)n34)c(F)c2)s1,BHPUGPJSVJAPNH-UHFFFAOYSA-N,5,1,0.317,78,830,408.506,4.395,5,0.53,0.79,1.0,0.1853625522582414,0.16109245425262148,0.050210746350490026,0.21463573435679528,0.15282537180453704
EOS-5-04614,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4ccsc4)c(OC)c3)n12,VBYVZCYKPXCSGF-UHFFFAOYSA-N,5,1,0.404,5,966,409.471,2.791,4,0.505,0.83,1.0,0.20482660544171064,0.04567884312247276,0.21027516962511136,0.11192687272976493,0.14317687272976493
EOS-5-04615,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4ccsn4)c(OC)c3)n12,BRVBHLYKOIMZHR-UHFFFAOYSA-N,5,1,0.396,5,966,410.459,2.186,4,0.498,0.85,1.0,0.17659002124597353,0.02939311904598725,0.09711465972174628,0.040512987458022065,0.08590269686793228
EOS-5-04617,Cc1cnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6cccn6)nn5)n34)cn2)s1,NJPLWVSAYAWULR-UHFFFAOYSA-N,5,1,0.29,60,84,481.549,2.884,6,0.366,0.75,0.97,0.04844595983825646,0.019969501747652663,0.03766876841888835,0.02791960797752039,0.03350095949557946
EOS-5-04618,N#Cc1cc(-c2nnc3cncc(OCCc4cc(F)ccn4)n23)ccc1Cl,WFIAOHIDRPEUHS-UHFFFAOYSA-N,5,1,0.575,90,400,394.797,3.472,4,0.515,0.77,1.0,0.9635991364539784,0.9810499623055308,0.8710249468850662,0.8910715509560688,0.926686399150161
EOS-5-04619,COCc1ccnc(-c2ccc(-c3nnc4cncc(CNC5CC5)n34)cc2F)n1,WSCRTTSJCAIHIX-UHFFFAOYSA-N,5,1,0.352,78,830,405.437,2.786,5,0.506,0.88,1.0,0.302198272907957,0.21872215749434584,0.16360256322390515,0.2583356178466178,0.23571465286820648
EOS-5-04620,COc1cc(-c2nnc3cncc(CNCc4cccc(-c5ncc[nH]5)n4)n23)ccc1-c1cncnc1,DWWPPYVGHQHXOX-UHFFFAOYSA-N,5,1,0.299,60,149,490.531,3.332,6,0.33,0.6,1.0,0.19930950585977658,0.05293502844219039,0.3074926324446577,0.2115687752724282,0.19282648550476322
EOS-5-04621,CCN1CCC(C(=O)NCc2cncc3nnc(-c4ccc(-c5cncs5)c(OC)c4)n23)CC1,WHHPYDUNJVVRKB-UHFFFAOYSA-N,5,1,0.367,5,123,477.594,3.272,5,0.436,0.9,1.0,0.03970769652525529,0.005302926461517374,0.0035724076485504764,0.008618326365567816,0.014300339250222739
EOS-5-04622,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(CNCc3cc(-c4cnccn4)ccn3)n12,XENWNKSFFDKSRQ-UHFFFAOYSA-N,5,1,0.305,60,869,495.547,4.196,6,0.351,0.69,1.0,0.3276334726886437,0.3007761633883901,0.482746213419231,0.464978411349462,0.3940335652114317
EOS-5-04623,COCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5cnnc(F)c5)c(OC)c4)n23)CC1,YSMBIGNAJPLOSG-UHFFFAOYSA-N,5,1,0.352,5,741,491.571,4.081,5,0.374,0.74,1.0,0.20483517236652732,0.11728976766499898,0.09472448769789596,0.24922040984168323,0.16651745939277637
EOS-5-04624,CCc1nc(-c2ccc(-c3nnc4cncc(Br)n34)c(F)c2)cs1,WGTQZRRNCSMIJE-UHFFFAOYSA-N,5,1,0.581,90,861,404.268,4.379,4,0.509,0.88,1.0,0.31002844219039133,0.38810739496950175,0.4442293194434926,0.5157545747378521,0.4145299328353095
EOS-5-04625,COCCC(=O)NCc1cncc2nnc(-c3ccc(-c4csnn4)cc3F)n12,RDIJASSZTHFGOI-UHFFFAOYSA-N,5,1,0.385,78,753,413.438,2.102,4,0.494,0.84,1.0,0.07969810156946062,0.08259372215749435,0.06761017065314234,0.0727588924679597,0.07566522171201426
EOS-5-04626,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNC3CCOCC3)n12,KIVLQWFFIFEONC-UHFFFAOYSA-N,5,1,0.368,78,75,411.466,2.718,5,0.54,0.79,1.0,0.11647590980741553,0.09208587485436227,0.03767733534370502,0.14601466657528614,0.09806344664519223
EOS-5-04627,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cc(F)cnn1,GEJQUPOHAFLSLC-UHFFFAOYSA-N,5,1,0.376,5,741,405.437,3.038,5,0.527,0.84,1.0,0.30493112192447397,0.20397847988486054,0.12691042423411691,0.24629052155438283,0.22052763689945856
EOS-5-04628,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cccc(F)n1,IDAZLMAMNGEHAN-UHFFFAOYSA-N,5,1,0.355,5,743,404.449,3.643,5,0.495,0.89,1.0,0.3698769789596327,0.17336029059008978,0.20312178740319375,0.3347354533616613,0.27027362757864437
EOS-5-04629,CCCCCCCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,RCVVZBILYDHWNT-UHFFFAOYSA-N,5,1,0.422,5,743,407.543,5.436,4,0.346,0.77,1.0,0.23522205469124802,0.12069940374203277,0.019755328627235967,0.03060962236995408,0.1015716023576177
EOS-5-04630,COc1cc(-c2nnc3cncc(CNCC4(O)CC4)n23)ccc1-c1ccsn1,RBOXHTSCQJHXDT-UHFFFAOYSA-N,5,1,0.378,5,743,408.487,2.538,5,0.485,0.66,1.0,0.24593927763689946,0.02940168597080392,0.06974333493249263,0.1460232335001028,0.1227768830100747
EOS-5-04631,Cc1nc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-c6cccnn6)nn5)n34)c(F)c2)no1,DWFFIYPBIINUHX-UHFFFAOYSA-N,5,1,0.308,60,84,495.482,2.826,6,0.349,0.64,1.0,0.317695839901309,0.31096223699540815,0.11873757795901584,0.12125625385511617,0.2171629771777123
EOS-5-04632,O=C(Nc1cccc(F)c1)c1ccc(-c2cncc3nnc(-c4ccc(Cl)c(C#CCO)c4)n23)cc1,WMQRQVOAGJMVHE-UHFFFAOYSA-N,5,1,0.46,62,504,497.917,4.847,5,0.346,0.76,1.0,0.3837296963881845,0.5700774450003426,0.9452916181207593,0.926966965937907,0.7065164313617984
EOS-5-04633,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC(=O)C(C)C)n34)c(F)n2)n1,IBXAKXJUKGKBGI-UHFFFAOYSA-N,5,1,0.369,78,793,407.413,1.758,4,0.496,0.7,0.999,0.21302515249126175,0.17336885751490644,0.023559043245836474,0.008626893290384484,0.10464498663559728
EOS-5-04634,COCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsc5)c(OC)c4)n23)CC1,GMAYWEDBHUMKPZ-UHFFFAOYSA-N,5,1,0.402,5,123,479.61,3.124,5,0.392,0.73,1.0,0.05002227400452334,0.003623809197450483,0.00914947570420122,0.03688061133575492,0.02491904256048249
EOS-5-04635,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC(F)F)n34)cc2F)cs1,ACPOACBVXJPUBO-UHFFFAOYSA-N,5,1,0.378,66,225,404.421,3.717,4,0.531,0.77,0.999,0.310037009115208,0.340029812898362,0.7411589335891988,0.7037985744637105,0.5237560825166199
EOS-5-04637,c1ccc(CCOc2cncc3nnc(-c4cncc(-c5ncsn5)c4)n23)nc1,PZYIJRQNARJTLM-UHFFFAOYSA-N,5,1,0.6,87,131,402.443,2.721,5,0.427,0.63,1.0,0.42347166061270647,0.36416284010691524,0.10492769515454732,0.10719793023096429,0.24994003152628333
EOS-5-04638,Cc1nc(-c2ccsc2)ccc1-c1nnc2cncc(CNC(=O)C3CCOC3)n12,ZSTJBMYBDYAKQO-UHFFFAOYSA-N,5,1,0.385,78,753,420.498,2.876,5,0.534,0.63,1.0,0.046886779521622915,0.003632376122267151,0.014409567541635254,0.029727229113837298,0.02366398807484065
EOS-5-04639,C#CC1CCC(NCc2cncc3nnc(-c4ccc(-c5nccs5)c(CC)n4)n23)C1,PJZXCNNSAVGLRO-UHFFFAOYSA-N,5,1,0.286,78,878,429.553,3.764,5,0.47,0.6,0.102,0.02443286957713659,0.003983620039750531,0.040512987458022065,0.10720649715578096,0.044033993557672534
EOS-5-04640,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(C)=O)cn4)n23)cc1F,LFUIQBREZJXWPF-UHFFFAOYSA-N,5,1,0.341,0,999,404.405,2.945,4,0.513,0.86,1.0,0.3302892193818107,0.28007847303132066,0.33691145226509495,0.20844184771434446,0.28893024809814266
EOS-5-04641,COc1cc(-c2nnc3cncc(CNCCc4ccc(F)c(Cl)n4)n23)ccc1-c1cnsc1,XKKGZXWVLPLYSG-UHFFFAOYSA-N,5,1,0.355,14,257,495.971,4.443,5,0.251,0.5,1.0,0.3537026249057638,0.26458090603796863,0.5612021108902748,0.5387567678706051,0.4295606024261531
EOS-5-04642,COc1cc(-c2nnc3cncc(CNCc4ccnc(C(F)(F)F)n4)n23)ccc1-c1nccs1,ZFFVOKQZTRWIDQ-UHFFFAOYSA-N,5,1,0.34,60,41,498.494,4.022,5,0.359,0.68,1.0,0.48513638544308135,0.39260503049825235,0.6241176067438832,0.3799859502433007,0.4704612432321294
EOS-5-04643,O=C(NCc1cncc2nnc(-c3ccc(-c4cncs4)nc3F)n12)C1CCC1,FFNHUNSUPUQELW-UHFFFAOYSA-N,5,1,0.394,78,753,409.45,2.865,5,0.509,0.72,1.0,0.14074600781303542,0.14962990884791996,0.007761633883901035,0.037985744637105065,0.08403082379549039
EOS-5-04644,Cc1ccc(-c2nnc3cncc(CNCc4ccc(-n5ncnc5C)nc4)n23)cc1,NLIGFBJBMJBVPZ-UHFFFAOYSA-N,5,1,0.351,14,416,411.473,2.674,5,0.459,0.79,1.0,0.13567438832156808,0.03234014118292098,0.13277876773353436,0.09679768350352957,0.09939774518538824
EOS-5-04645,Cc1nc(C)c(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(F)c2)s1,XGGJNGKESJSUEA-UHFFFAOYSA-N,5,1,0.325,78,830,408.506,4.313,5,0.533,0.78,0.993,0.17105578781440614,0.15732300733328763,0.05770680556507436,0.16934240285107258,0.13885700089096017
EOS-5-04647,COc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)c(O)n1,IOIQYCMYLZUDSC-UHFFFAOYSA-N,5,1,0.667,90,281,400.345,2.195,4,0.525,0.65,1.0,0.5932081420053458,0.41654958536083886,0.49295798780069905,0.3859913645397848,0.47217676992666713
EOS-5-04648,Cc1ccc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-c6ncccn6)nn5)n34)cn2)nc1,CGAKWENKXNIGLW-UHFFFAOYSA-N,5,1,0.314,60,869,487.531,3.094,6,0.358,0.69,1.0,0.11072750325543143,0.02941025289562059,0.09712322664656295,0.08015214858474402,0.07935328284558975
EOS-5-04649,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5CCC5)n34)cc2F)cs1,FFBGZEBTJDFPCP-UHFFFAOYSA-N,5,1,0.374,78,830,408.506,4.252,5,0.517,0.88,1.0,0.1683743403467891,0.15733157425810432,0.05771537248989103,0.22912240422178054,0.15313592282914124
EOS-5-04650,Cc1nc(-c2ccc(-c3nnc4cncc(CNC5CCCC5)n34)c(F)c2)cs1,YRBAFAROZRNFGR-UHFFFAOYSA-N,5,1,0.317,78,830,408.506,4.395,5,0.53,0.84,1.0,0.1795027756836406,0.13460352271948461,0.04680111027345624,0.20558049482557741,0.1416219758755397
EOS-5-04651,Cc1cc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(Cl)c2)n(C)n1,GHRVNQOVASTESJ-UHFFFAOYSA-N,5,1,0.33,78,830,407.909,3.796,5,0.544,0.9,1.0,0.18537111918305804,0.16887978891097252,0.09033822219176205,0.27028647796586935,0.1787189020629155
EOS-5-04652,CCc1nc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1ccc(C)nn1,ZDNGCONOVLLQHE-UHFFFAOYSA-N,5,1,0.298,78,878,430.516,2.783,5,0.498,0.7,0.644,0.029110410527037216,0.0007281886094167637,0.006390925913234186,0.013707079706668495,0.012484151189089167
EOS-5-04653,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccncc1F,XJZCPNINZYPPJL-UHFFFAOYSA-N,5,1,0.363,5,741,404.449,3.643,5,0.529,0.81,1.0,0.35135528750599687,0.18610787471729148,0.2822801727092043,0.42736104447947365,0.3117760948529916
EOS-5-04654,CCc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)cs1,BFECMEBBQGMVIM-UHFFFAOYSA-N,5,1,0.348,78,830,408.506,4.258,5,0.516,0.92,1.0,0.17659858817079022,0.13461208964430127,0.05209546981015695,0.18576519772462477,0.1372678363374683
EOS-5-04655,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4ccnc4)nn3)n12,BBRYOJQJOOHFRK-UHFFFAOYSA-N,5,1,0.276,60,84,486.5,2.109,6,0.334,0.55,0.924,0.06383215680899185,0.10479919128229731,0.07196216846000959,0.07859296826811048,0.0797966212048523
EOS-5-04656,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5cncnc5)nn4)n23)ccc1-c1cnoc1,AYWDLTHZVFCQIT-UHFFFAOYSA-N,5,1,0.317,60,149,492.503,2.992,6,0.335,0.55,1.0,0.2352306216160647,0.10163799602494689,0.2784764580906038,0.19133369885545884,0.20166969364676857
EOS-5-04657,O=C(Nc1cccc(F)c1)c1ccc(-c2cncc3nnc(-c4ccc(C(F)F)nc4F)n23)c(F)c1,VMVCJMNBHZENLA-UHFFFAOYSA-N,5,1,0.45,96,504,496.399,5.461,5,0.258,0.79,0.997,0.29162668768418887,0.510083270509218,0.9678483311630457,0.9522479610718936,0.6804515626070865
EOS-5-04658,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cccn4)nn3)n12,QXJDUFQNBOKFSV-UHFFFAOYSA-N,5,1,0.295,60,84,486.5,2.109,6,0.334,0.55,0.974,0.06208450414639161,0.1114299910903982,0.050219313275306696,0.05934308820505791,0.0707692241792886
EOS-5-04659,Cc1ccc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6cncn6)nc5)n34)nn2)nn1,VLJPLSCEQSPBSW-UHFFFAOYSA-N,5,1,0.25,53,766,477.496,1.612,6,0.357,0.66,0.999,0.03812281543417175,0.0026300459187170175,0.041926530052772255,0.03061818929477075,0.028324395175107944
EOS-5-04660,Cn1cc(-c2ccc(-c3nnc4cncc(CNCc5cc(-c6cncnc6)ncn5)n34)c(F)c2)cn1,ZAOBZEWUJJVAPO-UHFFFAOYSA-N,5,1,0.287,60,869,493.51,2.868,6,0.357,0.63,1.0,0.20197381947776027,0.3007847303132068,0.4041789459255706,0.3475772736618463,0.313628692344596
EOS-5-04661,Cn1nccc1-c1ccc(-c2nnc3cncc(COc4ccnc(F)c4)n23)nn1,JKJWWZZQRHXHQM-UHFFFAOYSA-N,5,1,0.32,53,920,403.381,2.095,5,0.411,0.62,0.966,0.35845726817901447,0.34515283393872936,0.2239479816325132,0.2084504146391611,0.2840021245973545
EOS-5-04662,O=C(CCCCC1CCCCC1)NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3)n12,CWEVBPIRCYQSOS-UHFFFAOYSA-N,5,1,0.344,78,701,476.61,4.462,5,0.355,0.83,1.0,0.024441436501953257,0.01532622849701871,0.0001713384963333562,0.0017733534370502364,0.01042808923308889
EOS-5-04663,Cc1nc(-c2ccc(-c3nnc4cncc(CNCc5cc(-c6cncnc6)ncn5)n34)c(F)c2)no1,SVMQIIMVLYMUOO-UHFFFAOYSA-N,5,1,0.293,60,869,495.482,2.826,6,0.349,0.6,1.0,0.28884243711877183,0.345161400863546,0.19611404290315948,0.16660955383455556,0.24918185868000822
EOS-5-04664,Cc1nnc(-c2ccc(-c3nnc4cncc(CNC5CCCC5)n34)c(F)c2)s1,XEZSBQZXIMNBLG-UHFFFAOYSA-N,5,1,0.329,78,830,409.494,3.79,5,0.54,0.83,1.0,0.1462888081694195,0.11434274552806524,0.012130765540401618,0.08718559385922829,0.08998697827427866
EOS-5-04665,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1cnsn1,MEGYFUADNYANJK-UHFFFAOYSA-N,5,1,0.392,5,966,407.459,2.345,5,0.523,0.81,1.0,0.24594784456171612,0.07908128298266054,0.015043519978068673,0.025075388938386678,0.091287009115208
EOS-5-04667,COc1cc(-c2nnc3cncc(CNC4CCC4O)n23)ccc1-c1cccs1,SWYSCLLIXRPTNI-UHFFFAOYSA-N,5,1,0.378,5,743,407.499,3.141,5,0.511,0.61,1.0,0.26199369474333495,0.03833698855458845,0.4331180179562744,0.4273696114042903,0.29020457816462203
EOS-5-04668,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccnc(F)c1,QLOLMPVRJPUGEW-UHFFFAOYSA-N,5,1,0.359,5,741,404.449,3.643,5,0.495,0.88,1.0,0.34463881844972927,0.19033136865190872,0.27848502501542044,0.41140943047083817,0.30621616064697416
EOS-5-04669,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cnnc(F)c1,QAIULMRYNYIVSK-UHFFFAOYSA-N,5,1,0.355,5,741,405.437,3.038,5,0.527,0.81,1.0,0.29451374134740593,0.17337742443972312,0.16037283256802137,0.27620622301418685,0.22611755534233433
EOS-5-04670,N#Cc1ncccc1-c1ccc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)cc1,RLIBNTCWMUNVFX-UHFFFAOYSA-N,5,1,0.292,60,644,487.491,1.78,6,0.349,0.65,1.0,0.08862483722842848,0.060533890754574736,0.16982215064080597,0.1666181207593722,0.12139974984579535
EOS-5-04671,CCc1nc(-c2nnc3cncc(CCC4CCCC4)n23)ccc1-c1cnc(C)cn1,ACYQUYBVFMHPKF-UHFFFAOYSA-N,5,1,0.305,78,878,413.529,4.637,5,0.458,0.73,0.054,0.06553697484750874,0.08602049208416147,0.0025700774450003426,0.017108148858885616,0.042808923308889045
EOS-5-04672,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNC3CCCCC3)n12,BXBWIXWWGDNDRA-UHFFFAOYSA-N,5,1,0.329,78,830,409.494,3.871,5,0.539,0.79,1.0,0.13817593036803508,0.12434891371393325,0.009920498937701323,0.11668151600301556,0.0972817147556713
EOS-5-04673,Cn1ccnc1-c1ccc(-c2nnc3cncc(CCC4CCCCC4)n23)cc1F,QLGPBUZBNCVWGC-UHFFFAOYSA-N,5,1,0.415,78,701,404.493,4.844,5,0.477,0.79,1.0,0.28595538345555477,0.3302378178329107,0.011659584675484887,0.17214378726612295,0.19999914330751833
EOS-5-04674,O=C(CC1CC1)NCc1cncc2nnc(-c3ccc(-c4cncs4)nc3F)n12,HLGYRTIGZSSGAT-UHFFFAOYSA-N,5,1,0.39,78,753,409.45,2.865,5,0.492,0.76,1.0,0.11909738880131587,0.17338599136453978,0.013698512781851826,0.05347474470564046,0.08991415941333697
EOS-5-04675,Cn1ccc(-c2ccc(-c3nnc4cncc(CNCc5cc(-c6cncnc6)ncn5)n34)c(F)c2)n1,NNDZRESGDCBKND-UHFFFAOYSA-N,5,1,0.29,60,869,493.51,2.868,6,0.357,0.6,1.0,0.20198238640257693,0.26984099787540267,0.3482968953464464,0.3001936125008567,0.28007847303132066
EOS-5-04676,CC1(C)CC1CNCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,TZLFXWHUZNTRHT-UHFFFAOYSA-N,5,1,0.351,78,634,409.494,3.585,5,0.49,0.54,1.0,0.12150469467479953,0.15734014118292097,0.22770886162703036,0.312821259680625,0.20484373929134397
EOS-5-04677,Cc1n[nH]c(-c2ccc(-c3nnc4cncc(CNCc5ccc(-c6cccnn6)nn5)n34)cc2F)n1,AFIMOBMNKZNOAH-UHFFFAOYSA-N,5,1,0.294,60,84,494.498,2.561,6,0.339,0.57,1.0,0.2406363511753821,0.29585874854362276,0.14193681036255226,0.1410544171064355,0.20487158179699816
EOS-5-04678,Cc1ccc(-c2nnc3cncc(-c4ccc(Oc5nccnc5F)cn4)n23)nn1,XCSJPVILLPJCHS-UHFFFAOYSA-N,5,1,0.265,50,914,401.365,2.673,5,0.448,0.75,0.996,0.4283548077582071,0.5058854773490508,0.18616784319100815,0.15883935302583785,0.319811870331026
EOS-5-04679,NC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5Cc6ccccc6C5)c(F)c4)n23)cc1F,DDSUYWWNDIWNCZ-UHFFFAOYSA-N,5,1,0.406,62,504,496.477,3.991,6,0.405,0.81,1.0,0.34703755739839626,0.3109708039202248,0.5645946131176752,0.6260794325269001,0.4621706017407991
EOS-5-04680,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3cc(-c4ccncc4)ncn3)n12,LBJBPIRQBGVJEH-UHFFFAOYSA-N,5,1,0.317,60,869,495.547,4.196,6,0.351,0.63,1.0,0.29967959701185665,0.2854499348913714,0.4183315057227058,0.40454732369268726,0.3520020903296553
EOS-5-04681,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1ccncn1,HFCIKBQMIDHBAI-UHFFFAOYSA-N,5,1,0.302,60,663,491.519,2.522,6,0.338,0.76,1.0,0.2156980330340621,0.029418819820437255,0.18930333767390858,0.11669008292783223,0.13777756836406005
EOS-5-04682,Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCCC5)cc4)n23)cc1,WTHLJITXOJJLLD-UHFFFAOYSA-N,5,1,0.398,0,21,411.509,4.783,5,0.487,0.91,1.0,0.10591289150846413,0.05294359536700706,0.004052155438283874,0.04562744157357275,0.05213402097183195
EOS-5-04683,COCc1n[nH]c(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(F)c2)n1,HFXWBQHESYRYCO-UHFFFAOYSA-N,5,1,0.315,78,830,408.441,2.504,5,0.484,0.67,0.985,0.154812898362004,0.14963847577273662,0.027859639503803716,0.10721506408059762,0.10988151942978548
EOS-5-04684,CCc1nc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1ccc(C)cn1,YMSMYZPNVLECNU-UHFFFAOYSA-N,5,1,0.295,78,878,429.528,3.388,5,0.502,0.79,0.981,0.024450003426769926,0.0007367555342334315,0.01505208690288534,0.03688917826057159,0.019282006031115073
EOS-5-04685,Cn1nccc1-c1cc(-c2nnc3cncc(OCc4cccc(F)n4)n23)ccn1,XSTUZGMGUWWJGZ-UHFFFAOYSA-N,5,1,0.529,24,486,402.393,2.7,5,0.417,0.68,1.0,0.40985881707902133,0.3302463847577274,0.3821448152971009,0.3219707353848263,0.36105518812966897
EOS-5-04686,Clc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccco5)nn4)n23)ccc1-c1cnccn1,KVOVKWXGQFXBCC-UHFFFAOYSA-N,5,1,0.324,60,869,495.934,4.242,6,0.346,0.66,1.0,0.3200603111507093,0.2800870399561373,0.3931618806113358,0.43962888081694196,0.3582345281337811
EOS-5-04687,CC(F)(F)c1ncc(Cc2cncc3nnc(-c4ccc(C(F)F)nc4)n23)cn1,LVTFYACNIOGVQG-UHFFFAOYSA-N,5,1,0.413,68,364,403.343,3.616,4,0.474,0.58,0.975,0.3127013227331917,0.43889212528270855,0.8788722500171339,0.7124854362278117,0.5857377835652114
EOS-5-04688,Cc1cnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-c6cncnc6)nn5)n34)cn2)cn1,LRPCSYCCJNUVII-UHFFFAOYSA-N,5,1,0.307,60,869,488.519,2.489,6,0.354,0.6,1.0,0.1059214584332808,0.05295216229182373,0.10493626207936399,0.07860153519292715,0.0856028544993489
EOS-5-04689,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)no4)n23)ccc1-c1cccnc1,XTFXEDDKXGTIJG-UHFFFAOYSA-N,5,1,0.324,60,149,491.515,3.597,6,0.337,0.74,1.0,0.17382290453018984,0.09845966691796312,0.3707508052909328,0.2792474813241039,0.2305702145157974
EOS-5-04690,Fc1cc(-c2cccs2)ccc1-c1nnc2cncc(CNCc3ccc(-c4ccccn4)nn3)n12,ZVUOJQAJXLARTA-UHFFFAOYSA-N,5,1,0.324,32,217,494.559,4.801,6,0.341,0.66,1.0,0.23790350215886505,0.29082996367623876,0.42925433486395725,0.47132650263861287,0.35732857583441846
EOS-5-04691,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ncccn5)cn4)n23)ccn1,JWMUVLJEXGXXOZ-UHFFFAOYSA-N,5,1,0.354,85,920,400.377,2.756,5,0.415,0.77,1.0,0.502604345144267,0.5058940442738674,0.37856384072373384,0.34758584058666303,0.43366201768213286
EOS-5-04692,Cc1nc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1ccsn1,MTTCYLHLZMMLCZ-UHFFFAOYSA-N,5,1,0.284,60,663,481.549,2.884,6,0.366,0.65,0.69,0.03813138235898842,0.010717222945651429,0.057723939414707694,0.044248166678089236,0.037705177849359194
EOS-5-04693,Clc1ccc(-c2nnc3cncc(NCCc4ccc(-n5ccnc5)cn4)n23)cc1,ZGSSPNRHKZOONT-UHFFFAOYSA-N,5,1,0.481,14,81,416.876,3.68,5,0.454,0.79,1.0,0.04405969433212254,0.019978068672469332,0.4477588924679597,0.46498697827427865,0.24419590843670758
EOS-5-04694,Clc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)ccn4)n23)ccc1-c1ncco1,WLFDDRKWTXJKJY-UHFFFAOYSA-N,5,1,0.311,60,869,495.934,4.242,6,0.346,0.68,1.0,0.3127098896580084,0.2958673154684395,0.5104859159756014,0.5122678363374683,0.4078327393598794
EOS-5-04695,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)C5CC5)n34)cc2F)n(C)n1,HLSWUKASGNSBAF-UHFFFAOYSA-N,5,1,0.439,78,753,406.425,2.061,5,0.544,0.87,1.0,0.2211294633678295,0.18174730998560756,0.00992906586251799,0.025083955863203344,0.10947244876978961
EOS-5-04696,COc1cc(-c2nnc3cncc(CNC(=O)CC#N)n23)ccc1-c1ccsn1,TZCXWNUVRWDUBL-UHFFFAOYSA-N,5,1,0.392,5,966,405.443,2.453,4,0.523,0.73,1.0,0.30220683983277363,0.11435131245288191,0.144909533273936,0.08530943732437804,0.16169428072099237
EOS-5-04697,Cn1cc(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6cccnn6)cc5F)n34)ncn2)cn1,YJXJZZWDJOZNBN-UHFFFAOYSA-N,5,1,0.282,60,84,493.51,2.868,6,0.357,0.63,1.0,0.1965338222191762,0.23941984785141526,0.3369200191899116,0.30020217942567334,0.2682689671715441
EOS-5-04698,COc1cc(-c2nnc3cncc(CCC4CCCC4)n23)ccc1-c1cscn1,YUCPVUVFWDBMAH-UHFFFAOYSA-N,5,1,0.413,5,741,405.527,5.046,5,0.449,0.77,1.0,0.2859639503803715,0.13836440271400177,0.014418134466451923,0.10949386608183126,0.13706008841066408
EOS-5-04699,Fc1cc(-c2nnc3cncc(CNCc4cccc(-c5ccncc5)n4)n23)ccc1-c1ncsn1,GIWDKFLYMMIPJH-UHFFFAOYSA-N,5,1,0.364,60,869,495.547,4.196,6,0.351,0.62,1.0,0.29706668494277294,0.2645894729627853,0.39317044753615243,0.40172880542800354,0.33913885271742855
EOS-5-04700,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNCC4CC4C)n23)cc1F,BYSHOIJYQHHHKY-UHFFFAOYSA-N,5,1,0.33,78,75,405.481,3.559,5,0.509,0.62,1.0,0.2593208142005346,0.2039870468096772,0.37075937221574945,0.40173737235282025,0.3089511513946954
EOS-5-04702,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cnn(C)c5)cc4)n23)c(F)c1F,CBQWUJRSUPRXEH-UHFFFAOYSA-N,5,1,0.343,62,938,488.458,3.082,5,0.393,0.83,1.0,0.06554554177232541,0.15356212733877048,0.5746350490028099,0.39874751559180316,0.29812255842642726
EOS-5-04703,Cn1nc(-n2cnnn2)cc1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3F)n12,ZUPZDUJZQQCRES-UHFFFAOYSA-N,5,1,0.297,60,644,489.504,1.448,6,0.35,0.63,1.0,0.09357651977246248,0.1278527859639504,0.03768590226852169,0.04301452950448907,0.0755324343773559
EOS-5-04704,CCc1nc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(F)c2)cs1,BMMQWZQISVNBJR-UHFFFAOYSA-N,5,1,0.315,78,830,408.506,4.258,5,0.516,0.87,1.0,0.1520629154958536,0.13462065656911795,0.050227880200123365,0.18044513741347407,0.12933914741964225
EOS-5-04705,O=C(NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12)C1CCC1,SHHBGAWIIVVTQM-UHFFFAOYSA-N,5,1,0.393,78,634,409.45,2.865,5,0.509,0.73,1.0,0.1215132615996162,0.1311424850935508,0.007410389966417655,0.03489308477828799,0.07373980535946817
EOS-5-04706,Cn1nc(-n2nccn2)cc1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3F)n12,HFIFJDALIUDQQT-UHFFFAOYSA-N,5,1,0.308,60,644,488.516,2.053,6,0.359,0.55,1.0,0.0714824206702762,0.1346292234939346,0.043391474196422454,0.048291755191556436,0.07444871838804742
EOS-5-04707,Cn1nccc1-c1ccc(-c2nnc3cncc(CNCC4CCCO4)n23)cc1F,RVDUGSOMLMCRQM-UHFFFAOYSA-N,5,1,0.347,78,75,407.453,2.6,5,0.529,0.65,1.0,0.1910509903365088,0.1346377904187513,0.13905832362415188,0.2675707627989857,0.1830794667945994
EOS-5-04708,O=C(NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12)C(F)F,IZPCFVMOGZVULN-UHFFFAOYSA-N,5,1,0.406,68,585,405.365,2.33,4,0.512,0.6,1.0,0.24064491810019875,0.26459803988760194,0.3785724076485505,0.35711226098279764,0.3102319066547872
EOS-5-04710,FC(F)c1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cn2)n1,TXFCNZDLVYGVMN-UHFFFAOYSA-N,5,1,0.319,78,455,409.404,2.618,5,0.518,0.71,0.805,0.13818449729285176,0.09209444177917894,0.05589061750394079,0.15335652114317044,0.10988151942978548
EOS-5-04711,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1cscn1,VKNNAMCNWPFYSX-UHFFFAOYSA-N,5,1,0.4,5,966,406.471,2.95,5,0.529,0.9,1.0,0.2620022616681516,0.08260228908231101,0.031149338633404154,0.049688163936673295,0.106360513330135
EOS-5-04713,O=C(NCc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12)C1CCC1,DHZZOECETMZHEA-UHFFFAOYSA-N,5,1,0.393,78,634,409.45,2.865,5,0.509,0.79,1.0,0.1164844767322322,0.13837296963881845,0.005020217942567336,0.02173428825988623,0.07040298814337606
EOS-5-04714,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)n23)c(F)c1F,OROFXCGBGVAGHE-UHFFFAOYSA-N,5,1,0.467,0,901,491.502,2.484,5,0.471,0.9,1.0,0.1710643547392228,0.08915598656706189,0.03115790555822082,0.08016071550956069,0.09288474059351656
EOS-5-04715,Fc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ns4)n23)ccc1-c1ncsn1,RPKKXPAKXMHERY-UHFFFAOYSA-N,5,1,0.321,60,644,491.541,2.776,6,0.359,0.63,1.0,0.13568295524638477,0.16496470426975532,0.08051195942704407,0.10305153861969707,0.12105278939072031
EOS-5-04716,COCC(=O)NCc1cncc2nnc(-c3cc(OC)c(-c4cscn4)cn3)n12,GJJPVCRMNKSHRS-UHFFFAOYSA-N,5,1,0.337,5,966,411.447,1.581,4,0.487,0.74,0.999,0.12152182852443287,0.01157391542731821,0.034995887876088,0.010879994517168118,0.0447429065862518
EOS-5-04717,O=C(CCCCC1CCCCC1)NCc1cncc2nnc(-c3ccc(-c4nccs4)c(F)c3)n12,GFLBNRAKDKPHGP-UHFFFAOYSA-N,5,1,0.408,5,701,492.624,5.811,5,0.298,0.85,1.0,0.17951134260845727,0.15734870810773766,0.002287368926050305,0.03166335412240422,0.09270269344116237
EOS-5-04718,Cc1ccc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6ccnc6)nc5)n34)nn2)nc1,YSIMOURGOZGPIU-UHFFFAOYSA-N,5,1,0.255,60,766,475.52,2.822,6,0.371,0.63,0.999,0.027936741827153725,0.0010108971283668015,0.15108628606675348,0.1166986498526489,0.07418314371873072
EOS-5-04719,C#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNC(=O)C(C)F)n12,JJKRQKXWNBIWEP-UHFFFAOYSA-N,5,1,0.39,78,753,406.446,2.87,4,0.515,0.56,1.0,0.22685216914536357,0.1457062572818861,0.3442361729833459,0.2614539784798849,0.2445621444726201
EOS-5-04720,O=C(CC1CC1)NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,MDTVUMSGKDPPHX-UHFFFAOYSA-N,5,1,0.373,78,793,410.438,2.26,5,0.485,0.68,1.0,0.08628606675347818,0.14196251113700226,0.006399492838050853,0.025092522788020013,0.06493514837913782
EOS-5-04721,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC5CC5C)n34)cc2F)n(C)n1,XVQAQEASDPNTBR-UHFFFAOYSA-N,5,1,0.355,78,75,406.469,2.78,5,0.53,0.58,1.0,0.20484373929134397,0.19481187033102598,0.1636111301487218,0.2115773421972449,0.19371102049208416
EOS-5-04722,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5cccnn5)nn4)n23)ccn1,FMPQEWHECGISRD-UHFFFAOYSA-N,5,1,0.323,53,920,401.365,2.151,5,0.408,0.64,0.997,0.43471146597217464,0.4165581522856555,0.24213556301829894,0.26146254540470154,0.3387169316702076
EOS-5-04723,Fc1ccnc(COc2cncc3nnc(-c4cncc(-c5cccnn5)c4)n23)c1,QUJWDSCCZZFGLP-UHFFFAOYSA-N,5,1,0.535,2,875,400.377,2.756,5,0.444,0.72,1.0,0.4801504351997807,0.5192841477623192,0.4864042903159482,0.477280515386197,0.49077984716606127
EOS-5-04724,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3ccc(-n4ccnn4)nn3)n12,MSVDCUHNWOXOSB-UHFFFAOYSA-N,5,1,0.299,60,84,486.5,2.109,6,0.334,0.58,0.99,0.04555033925022274,0.11435987937769858,0.05773250633952436,0.06386642450825851,0.07037728736892605
EOS-5-04726,Cc1nc(-c2ccc(-c3nnc4cncc(CNC(=O)CCCCC5CCCCC5)n34)cc2)cs1,FAVSWVJFHURZJX-UHFFFAOYSA-N,5,1,0.396,5,701,488.661,5.98,5,0.293,0.85,1.0,0.10338564868754711,0.03234870810773765,0.0012422040984168322,0.00797580700431773,0.03623809197450483
EOS-5-04727,O=C(NCc1cncc2nnc(-c3ccc(-c4nccs4)nc3F)n12)C(F)F,MDYOXWKBZVPUKW-UHFFFAOYSA-N,5,1,0.406,68,585,405.365,2.33,4,0.512,0.62,1.0,0.22958501816188062,0.2698495648002193,0.3111250085669248,0.2939825920087725,0.27613554588444933
EOS-5-04729,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(C#N)nn1,FVTHPIRNOVZNIY-UHFFFAOYSA-N,5,1,0.281,78,878,411.473,2.719,5,0.515,0.75,0.254,0.10593002535809745,0.022231169899252966,0.012636214104585018,0.048300322116373105,0.04727443286957714
EOS-5-04730,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)nnn4)n23)ccc1-c1cnco1,JSTHBMQMLLGLAD-UHFFFAOYSA-N,5,1,0.306,60,149,493.491,2.387,6,0.331,0.53,1.0,0.23791206908368173,0.10829449660749778,0.17645295044890685,0.12126482077993284,0.16098108423000482
EOS-5-04731,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1ncsn1,PFPLBTJFWDZEPZ-UHFFFAOYSA-N,5,1,0.408,5,966,407.459,2.345,5,0.523,0.85,1.0,0.21570659995887875,0.0682869577136591,0.010468782125968062,0.014803646083201973,0.07731649647042697
EOS-5-04733,Cc1nc(CC(=O)NCc2cncc3nnc(-c4ccc(-c5cscn5)nc4Cl)n23)ccc1F,XMLUREQBAVMIOV-UHFFFAOYSA-N,5,1,0.374,85,28,494.943,3.665,5,0.358,0.62,1.0,0.23523918854088136,0.30582208210540746,0.18617641011582484,0.20558906175039407,0.23320668562812694
EOS-5-04734,COc1cc(-c2nnc3cncc(CCC4CCCO4)n23)ccc1-c1cncs1,FBZMLFQSZFLSLR-UHFFFAOYSA-N,5,1,0.404,5,966,407.499,4.035,5,0.48,0.61,1.0,0.19105955726132548,0.10830306353231443,0.07615996162017682,0.16935096977588926,0.1362183880474265
EOS-5-04735,COc1cc(-c2nnc3cncc(CNC4CCC(C5CCCCC5)C4)n23)ccc1-c1cscn1,VREMACRIKBDDTI-UHFFFAOYSA-N,5,1,0.356,5,701,488.661,5.762,6,0.356,0.57,0.999,0.12445171681173325,0.008387019395517784,0.018041943663902407,0.18577376464944143,0.08416361113014872
EOS-5-04736,COc1cc(-c2nnc3cncc(CNCc4nccc(C(F)(F)F)n4)n23)ccc1-c1cnsc1,XXZSVDNEQGJHEJ-UHFFFAOYSA-N,5,1,0.343,60,41,498.494,4.022,5,0.359,0.56,1.0,0.4418477143444589,0.34988177643753,0.7762319237886368,0.5684925639092592,0.5341134946199713
EOS-5-04737,Cc1cnc(-c2ccc(-c3nnc4cncc(CCc5ccccn5)n34)nc2C)cn1,SRFNVBYXKBZCQR-UHFFFAOYSA-N,5,1,0.352,85,580,408.469,3.44,5,0.44,0.69,0.976,0.17107292166403948,0.06829552463847577,0.10738640257693098,0.0909893084778288,0.10943603933931875
EOS-5-04738,O=C(NCc1cncc2nnc(-c3ccc(-c4cnsc4)nc3F)n12)C1CCC1,RTXDTNKLMADDAS-UHFFFAOYSA-N,5,1,0.394,78,753,409.45,2.865,5,0.509,0.69,1.0,0.1107360701802481,0.12435748063874992,0.00946645192241793,0.04969673086148996,0.07356418340072648
EOS-5-04739,COc1cc(-c2nnc3cncc(CNC(=O)CCCC4CCCCC4)n23)ccc1-c1cscn1,UPMVGAOYSJAOFG-UHFFFAOYSA-N,5,1,0.381,5,701,490.633,5.29,5,0.343,0.79,1.0,0.1630028784867384,0.019986635597285998,0.0022959358508669726,0.011402576930984855,0.04917200671646905
EOS-5-04740,Cc1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)c(F)c1,YNXXQQWJNRETHM-UHFFFAOYSA-N,5,1,0.449,48,678,399.376,4.452,4,0.519,0.86,1.0,0.487492289767665,0.7244277294222465,0.9518538825303269,0.9239000068535399,0.7719184771434446
EOS-5-04741,CCc1nc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1ccc(C)nn1,MUCOJFWMYVBNBA-UHFFFAOYSA-N,5,1,0.315,78,878,414.473,2.54,5,0.516,0.83,0.995,0.06209307107120828,0.00981769583990131,0.004514769378383935,0.0054913988074840655,0.020479233774244397
EOS-5-04742,O=C(CC1CC1)NCc1cncc2nnc(-c3ccc(-c4ccsc4)nc3F)n12,GSFVJNAMRWVQBZ-UHFFFAOYSA-N,5,1,0.39,78,753,408.462,3.47,5,0.494,0.87,1.0,0.12446028373654992,0.1573572750325543,0.03234870810773765,0.1235350558563498,0.10942533068329793
EOS-5-04743,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ncccn5)nn4)n23)ccn1,AAYKNKOWCSDKEC-UHFFFAOYSA-N,5,1,0.32,54,920,401.365,2.151,5,0.408,0.69,0.995,0.4234802275375231,0.4070402988143376,0.1861849770406415,0.19667089301624288,0.30334409910218624
EOS-5-04744,O=C(NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12)C1(F)CCC1,VIDQGUQOXXAAFK-UHFFFAOYSA-N,5,1,0.4,78,634,409.45,2.818,5,0.544,0.77,1.0,0.09833116304571311,0.14571482420670276,0.00820711397436776,0.048308889041189775,0.07514049756699336
EOS-5-04745,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnccn5)no4)n23)ccc1-c1cncnc1,VTUUHCKRLPMUTO-UHFFFAOYSA-N,5,1,0.306,60,149,492.503,2.992,6,0.335,0.57,1.0,0.1881810705229251,0.09540984168322938,0.2492803783153999,0.16935953670070591,0.1755577068055651
EOS-5-04746,Fc1cc(-c2nnc3cncc(CNCc4cc(-c5ccncc5)ncn4)n23)ccc1-c1ncsn1,GWAOYQSKDQBYCL-UHFFFAOYSA-N,5,1,0.343,60,869,496.535,3.591,6,0.353,0.56,1.0,0.3177044068261257,0.30079329723802345,0.315014392433692,0.31600815571242546,0.31238006305256666
EOS-5-04747,COc1cc(-c2nnc3cncc(CCC4CCCC4)n23)ccc1-c1cncs1,BRPUDKOKYAGLND-UHFFFAOYSA-N,5,1,0.422,5,741,405.527,5.046,5,0.449,0.77,1.0,0.25932938112535125,0.1383815365636351,0.01637996024946885,0.1212733877047495,0.13384106641080118
EOS-5-04748,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1nncs1,AWDYVZPCXDHIOD-UHFFFAOYSA-N,5,1,0.396,5,966,407.459,2.345,5,0.523,0.88,1.0,0.2076365567815777,0.06466314851620862,0.01102563223905147,0.016491330272085533,0.07495416695223082
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EOS-5-04766,Clc1cc(-c2nnc3cncc(OCc4cccc(-c5ncccn5)n4)n23)cc(-c2nccs2)n1,PPMRQTJUMWUSMM-UHFFFAOYSA-N,5,1,0.5,28,414,499.947,4.394,6,0.307,0.61,0.999,0.4582191076691111,0.5802977863066274,0.2206754163525461,0.24060208347611542,0.3749485984511
EOS-5-04767,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNC3CCOCC3)n12,UJVQBKFIGRJUNA-UHFFFAOYSA-N,5,1,0.343,78,830,411.466,2.718,5,0.54,0.8,1.0,0.0735042149270098,0.07214207388115962,0.05403159481872387,0.1940665478719759,0.0984361078747173
EOS-5-04768,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCC(F)CC5)cc4)n23)c(F)c1F,BANZYNFCGKDUOS-UHFFFAOYSA-N,5,1,0.355,0,21,494.477,3.67,5,0.468,0.91,1.0,0.21857651977246248,0.2187307244191625,0.17963984648070727,0.34114351312452884,0.23952265094921527
EOS-5-04769,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1nccs1,ACTRCCULELCAGH-UHFFFAOYSA-N,5,1,0.4,5,966,406.471,2.95,5,0.529,0.94,1.0,0.23524775546569804,0.07562024535672675,0.020697690357069427,0.03167192104722089,0.09080940305667877
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EOS-5-04773,COc1cc(-c2nnc3cncc(CNCC(F)F)n23)ccc1-c1cscn1,CASDJEAXLLCFSB-UHFFFAOYSA-N,5,1,0.391,5,947,402.43,3.278,4,0.511,0.74,1.0,0.40119765608937014,0.21873929134397915,0.6357686244945514,0.5056284696045508,0.44033351038311286
EOS-5-04775,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1)N1CCCC1,CYQQILXHBCJPBZ-UHFFFAOYSA-N,5,1,0.429,0,21,403.873,4.348,5,0.51,0.94,1.0,0.2671167157837023,0.3400383798231787,0.035004454800904666,0.2792560482489206,0.23035389966417655
EOS-5-04776,O=C(NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12)C(F)(F)F,FLQXNNZCRLDLIS-UHFFFAOYSA-N,5,1,0.419,68,585,405.365,2.488,4,0.56,0.8,1.0,0.22400795010622987,0.21362483722842848,0.6093310945103145,0.4713350695634295,0.3795747378521006
EOS-5-04777,Cc1ccc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-c6cn[nH]c6)nc5)n34)c(F)n2)nn1,VCCONRYAGDBKQM-UHFFFAOYSA-N,5,1,0.286,60,869,493.51,3.166,6,0.321,0.68,0.987,0.17108148858885613,0.20881022548146116,0.28228873963402096,0.23777499828661502,0.22498886299773835
EOS-5-04778,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cnnn5)n4)n23)ccc1-c1ccncn1,RHJJITWTJRVYIP-UHFFFAOYSA-N,5,1,0.294,60,663,492.507,1.917,6,0.332,0.73,1.0,0.20764512370639435,0.03235727503255431,0.12167603317113289,0.07861010211774382,0.11007213350695634
EOS-5-04779,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC(=O)C5CC5)n34)c(F)c2)n1,BIEHQSWMEQJVOX-UHFFFAOYSA-N,5,1,0.41,78,753,404.409,2.117,5,0.542,0.84,1.0,0.2699780686724693,0.22913097114659722,0.020706257281886093,0.06087656774724145,0.14517296621204853
EOS-5-04780,Cn1ncc(-c2cccc(-c3nnc4cncc(COc5cnccn5)n34)c2)c1F,RWMRTYFXZCLXMS-UHFFFAOYSA-N,5,1,0.378,92,351,402.393,2.7,5,0.446,0.58,1.0,0.36066753478171476,0.34004694674799535,0.44423788636830924,0.3671184291686656,0.3780176992666712
EOS-5-04781,Cn1nc(-n2ccnn2)cc1CNCc1cncc2nnc(-c3ccc(-c4nccs4)cc3F)n12,WTTITRQIULNPHM-UHFFFAOYSA-N,5,1,0.303,60,84,487.528,2.658,6,0.365,0.67,1.0,0.04845452676307313,0.10164656294976356,0.1021691453635803,0.10950243300664793,0.09044316702076623
EOS-5-04782,c1cnnc(-c2cccc(CNCc3cncc4nnc(-c5ccc(-c6csnn6)cn5)n34)n2)c1,SJPNRPRUDRZXKT-UHFFFAOYSA-N,5,1,0.298,60,887,479.533,2.847,6,0.364,0.59,1.0,0.02028647796586937,0.008978137207867864,0.0854807758207114,0.08531800424919471,0.05001584881091084
EOS-5-04783,Fc1nc(-c2csnn2)ccc1-c1nnc2cncc(CNC3CCOCC3)n12,DBBUVIZBZUYGPS-UHFFFAOYSA-N,5,1,0.365,78,793,412.454,2.112,5,0.497,0.59,1.0,0.062101637996024944,0.0420464670002056,0.010477349050784731,0.05492255499965732,0.04238700226166815
EOS-5-04784,COc1cc(-c2nnc3cncc(CCC4CCCC4)n23)ccc1-c1nccs1,DFYYJRWXZFKBNG-UHFFFAOYSA-N,5,1,0.413,5,741,405.527,5.046,5,0.449,0.84,1.0,0.2459564114865328,0.12786135288876704,0.009937632787334658,0.07861866904256049,0.11559351655129875
EOS-5-04785,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1cccs1,OUCUTCGNPBHGKH-UHFFFAOYSA-N,5,1,0.4,5,966,405.483,3.555,5,0.53,0.86,1.0,0.2646665752861353,0.10165512987458022,0.05774107326434103,0.10306010554451374,0.13178072099239257
EOS-5-04786,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1cncs1,WFKXTFPIOBRPDO-UHFFFAOYSA-N,5,1,0.408,5,966,406.471,2.95,5,0.529,0.89,1.0,0.2268693029949969,0.07562881228154342,0.03372798300322116,0.05493112192447399,0.09778930505105887
EOS-5-04788,CCn1ccnc1-c1cccc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)c1,UNCOVRPKUDWUAI-UHFFFAOYSA-N,5,1,0.287,60,644,479.512,1.73,6,0.343,0.67,1.0,0.023396271674319787,0.003992186964567199,0.03769446919333836,0.026848742375436913,0.022982917551915564
EOS-5-04789,COc1cc(-c2nnc3cncc(CNCc4cnc(C(F)(F)F)nc4)n23)ccc1-c1cnsc1,XPZYGJQCWYJYBR-UHFFFAOYSA-N,5,1,0.364,60,41,498.494,4.022,5,0.359,0.56,1.0,0.4120262490576383,0.3451699677883627,0.759877664313618,0.5254951682544033,0.5106422623535056
EOS-5-04790,CCC1CC1CNCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,LZIFCGSTJITGOE-UHFFFAOYSA-N,5,1,0.323,78,793,410.482,2.98,5,0.468,0.51,0.897,0.06555410869714208,0.13464635734356795,0.10739496950174765,0.21158590912206154,0.12979533616612982
EOS-5-04791,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1nc(C)cc(C)n1,CNOSBKNRIBYSIN-UHFFFAOYSA-N,5,1,0.277,78,878,414.517,3.465,5,0.516,0.77,0.941,0.05684154615859091,0.005311493386334042,0.004060722363100541,0.0071962168460009595,0.018352494688506613
EOS-5-04792,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cccs5)ncn4)n23)ccc1-c1cocn1,AZOVWVUOCOWAMX-UHFFFAOYSA-N,5,1,0.313,60,217,496.556,4.263,6,0.33,0.62,1.0,0.33751970392707836,0.18611644164210814,0.30026214789939004,0.2115944760468782,0.2588731923788637
EOS-5-04793,Cn1cc(-c2ccc(-c3nnc4cncc(CNCC5CCCO5)n34)cc2F)cn1,WAPQFEJGEPDJPE-UHFFFAOYSA-N,5,1,0.35,78,75,407.453,2.6,5,0.529,0.66,1.0,0.15482146528682064,0.12786991981358373,0.1733003221163731,0.30667020766225755,0.19066547871975875
EOS-5-04794,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cncn5)c4)n23)ccc1-c1ccncc1,WTNJLJAFBHFDNH-UHFFFAOYSA-N,5,1,0.318,60,149,490.531,3.127,6,0.343,0.64,1.0,0.14365019532588583,0.012567678706051676,0.37858097457336715,0.27029504489068606,0.2012734733739977
EOS-5-04795,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(CNCc3ccc(-c4ccccn4)nn3)n12,QRLRAATZZBBMEB-UHFFFAOYSA-N,5,1,0.33,60,84,495.547,4.196,6,0.351,0.67,1.0,0.24315502707148243,0.28009560688095403,0.3519635391679803,0.3767819203618669,0.3129990233705709
EOS-5-04796,Cc1nc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)ccc1-c1nccs1,HXAHLSJBGXGCAI-UHFFFAOYSA-N,5,1,0.273,60,869,481.549,2.884,6,0.366,0.67,0.856,0.025512302104036735,0.008395586320334453,0.040521554382838734,0.028870536632170516,0.02582499485984511
EOS-5-04797,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(CNCc3cc(-c4cncnc4)ncn3)n12,XIVGEXSKFUXBRW-UHFFFAOYSA-N,5,1,0.302,60,869,496.535,3.591,6,0.353,0.63,1.0,0.28336817216092114,0.33025495168254404,0.3931790144609691,0.3767904872866836,0.3458981563977795
EOS-5-04798,O=C(NC1CC1)c1ccc(Cc2cncc3nnc(-c4ccc(Cl)nc4)n23)cn1,FVQNNDJYVZFACV-UHFFFAOYSA-N,5,1,0.371,63,5,405.849,2.718,5,0.512,0.81,0.999,0.17951990953327393,0.23942841477623192,0.09713179357137962,0.20260777191419369,0.17967197244876978
EOS-5-04799,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)cc1C,BVKZOSSWACABRR-UHFFFAOYSA-N,5,1,0.505,62,504,496.958,5.032,5,0.355,0.86,1.0,0.3100455760400247,0.3257487492289768,0.6701476937838393,0.5618446302515249,0.4669466623260914
EOS-5-04800,O=C(NCc1cncc2nnc(-c3ccc(-c4ccsn4)nc3F)n12)C1CCC1,IABIIMIAEQTCFS-UHFFFAOYSA-N,5,1,0.393,78,634,409.45,2.865,5,0.509,0.66,1.0,0.08863340415324515,0.12070797066684943,0.00672503598108423,0.03380508532657117,0.062467874031937494
EOS-5-04801,Fc1cnc(-c2ccc(-c3nnc4cncc(CNCc5cc(-c6cncnc6)ncn5)n34)nn2)cn1,JVBNHQHGGZCTHS-UHFFFAOYSA-N,5,1,0.25,86,869,493.47,1.714,6,0.344,0.56,0.977,0.18819820437255844,0.1311510520183675,0.10217771228839696,0.10094407511479679,0.13061776094852992
EOS-5-04802,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ccnc5)n4)n23)ccc1-c1ccncc1,QUAOCZYHUNJIIR-UHFFFAOYSA-N,5,1,0.317,60,149,489.543,3.732,6,0.345,0.69,1.0,0.10079843739291344,0.019995202522102667,0.4144678226303886,0.30988280446850797,0.21128606675347816
EOS-5-04803,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5nccn5)c4)n23)ccc1-c1cccnc1,XLAYQGGHGFNUGM-UHFFFAOYSA-N,5,1,0.321,60,149,490.531,3.127,6,0.343,0.63,1.0,0.12153039544924954,0.029427386745253924,0.2930145295044891,0.21464430128161197,0.16465415324515112
EOS-5-04804,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(C)c5)cc4)n23)cc1Cl,YFFNBCSWBDWQNO-UHFFFAOYSA-N,5,1,0.42,62,504,496.958,5.032,5,0.355,0.88,1.0,0.2996881639366733,0.335103831128778,0.6891405661023919,0.5716194914673429,0.47388801315879653
EOS-5-04805,COc1cc(-c2nnc3cncc(CNC(C)C4CC4)n23)ccc1-c1cscn1,PXEGPELBLYAIPQ-UHFFFAOYSA-N,5,1,0.362,5,743,406.515,3.812,5,0.503,0.62,1.0,0.22113803029264614,0.0529607292166404,0.24928894524021658,0.2555342334315674,0.19473048454526765
EOS-5-04806,O=C(NCc1cncc2nnc(-c3ccc(-c4csnn4)cc3)n12)C(F)(F)F,ULCWISGXRIKGRF-UHFFFAOYSA-N,5,1,0.446,66,233,405.365,2.488,4,0.56,0.82,1.0,0.21858508669727914,0.17339455828935646,0.6758446987869234,0.5618531971763416,0.4074193852374752
EOS-5-04807,COc1cc(-c2nnc3cncc(CNCc4cccnc4-n4ccnc4)n23)ccc1-c1cncnc1,OGKBKYXNWVTZSS-UHFFFAOYSA-N,5,1,0.31,60,149,490.531,3.127,6,0.343,0.72,1.0,0.12153896237406621,0.02455280652456994,0.32596292234939345,0.2257042012199301,0.1744397231169899
EOS-5-04808,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cncn5)c4)n23)ccc1-c1cccnc1,KHZNOAKOEBDYPL-UHFFFAOYSA-N,5,1,0.324,60,149,490.531,3.127,6,0.343,0.68,1.0,0.12446885066136659,0.01829895140840244,0.3632975807004318,0.26439243369200194,0.1926144541155507
EOS-5-04809,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1ccncn1,UPKLZJWDDMYCTL-UHFFFAOYSA-N,5,1,0.293,60,663,492.507,1.917,6,0.332,0.7,1.0,0.19654238914399288,0.02223973682406963,0.14194537728736892,0.08188266739771091,0.11065254266328559
EOS-5-04810,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1ccncn1,BVZBPJMYGZLJCA-UHFFFAOYSA-N,5,1,0.299,60,644,491.519,2.522,6,0.338,0.7,1.0,0.15758001507778768,0.020003769446919333,0.23141834007264753,0.13637687615653485,0.13634475018847234
EOS-5-04811,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ccnc5)n4)n23)ccc1-c1cncnc1,IRSNHJSAHOUROU-UHFFFAOYSA-N,5,1,0.298,60,149,490.531,3.127,6,0.343,0.67,1.0,0.11649304365704886,0.03236584195737098,0.3336303200603111,0.22571276814474675,0.17705049345486942
EOS-5-04812,COc1cc(-c2nnc3cncc(CNCC4CC4C)n23)ccc1-c1ncsn1,CMWOWKXUGOSOJW-UHFFFAOYSA-N,5,1,0.37,5,75,407.503,3.064,5,0.503,0.5,1.0,0.1795284764580906,0.04205503392502227,0.17964841340552395,0.16392810636693853,0.14129000753889384
EOS-5-04813,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1cccnc1,NKZYKFNACCPNDI-UHFFFAOYSA-N,5,1,0.327,60,663,490.531,3.127,6,0.343,0.73,1.0,0.11911452265094921,0.026728805428003564,0.2822973065588376,0.20261633883901034,0.15768924336920018
EOS-5-04814,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CCc3ccccn3)n12,FBIVMZKOEFBWAD-UHFFFAOYSA-N,5,1,0.354,14,487,403.446,3.629,5,0.446,0.77,1.0,0.26467514221095195,0.3545935850866973,0.3557843876362141,0.4337005688438078,0.3521884209444178
EOS-5-04815,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1cnsc1,BGDCWIFGRCYQSU-UHFFFAOYSA-N,5,1,0.408,5,966,406.471,2.95,5,0.529,0.83,1.0,0.2130337194160784,0.06830409156329244,0.041935096977588925,0.07277602631759304,0.0990122335686382
EOS-5-04817,CCn1cncc1-c1ccc(-c2nnc3cncc(CNC4CCC4)n23)c(Cl)n1,MXCGPRUBPKMLRF-UHFFFAOYSA-N,5,1,0.303,78,793,408.897,3.365,5,0.492,0.74,0.981,0.09358508669727915,0.12436604756356658,0.020714824206702762,0.10506476595161401,0.08593268110479063
EOS-5-04818,CCCC(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)c(OC)c3)n12,OKHBAVYXWULWHS-UHFFFAOYSA-N,5,1,0.396,5,966,408.487,3.34,4,0.504,0.87,1.0,0.17109005551367282,0.009826262764717977,0.04505345761085601,0.020903296552669454,0.06171826811047907
EOS-5-04819,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC(=O)C5CC5)n34)cc2F)n1,YBASYBMLSNJFKF-UHFFFAOYSA-N,5,1,0.424,78,753,404.409,2.117,5,0.542,0.84,1.0,0.2514735110684669,0.21363340415324514,0.02072339113151943,0.06088513467205812,0.1366788602563224
EOS-5-04821,c1cc(-c2ccc(-c3nnc4cncc(OCCC5CCOCC5)n34)cn2)cnn1,SYRIEZLRBDIWIZ-UHFFFAOYSA-N,5,1,0.5,78,548,403.446,2.839,5,0.484,0.73,1.0,0.3422914810499623,0.13465492426838463,0.018050510588719072,0.09099787540264546,0.1464986978274279
EOS-5-04822,c1cnn(-c2ccc(CNCc3cncc4nnc(-c5csc(-c6cscn6)c5)n34)nn2)c1,LNRXPPBBIZJSHO-UHFFFAOYSA-N,5,1,0.311,60,84,472.563,3.242,6,0.377,0.63,0.998,0.01087142759235145,0.0015934480159002125,0.05589918442875745,0.05631039681995751,0.031168614214241656
EOS-5-04823,CCc1ccc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)cc1,XGXMDHPEDAQJLI-UHFFFAOYSA-N,5,1,0.343,60,416,411.473,2.619,5,0.439,0.83,1.0,0.07351278185182647,0.018307518333219107,0.21028373654992805,0.13868994585703515,0.1101984956480022
EOS-5-04824,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cnnc5)n4)n23)ccc1-c1cncnc1,BDNOFXNMLYGEAQ-UHFFFAOYSA-N,5,1,0.301,60,663,491.519,2.522,6,0.338,0.58,1.0,0.14365876225070248,0.03538139949283805,0.2562795558906175,0.1666266876841889,0.15048660132958674
EOS-5-04825,COc1cc(-c2nnc3cncc(CNCC4CC4C)n23)ccc1-c1cscn1,APVZQWXPGRHGRA-UHFFFAOYSA-N,5,1,0.362,5,743,406.515,3.669,5,0.505,0.6,1.0,0.21304228634089506,0.05679871153450757,0.34830546227126313,0.3066787745870742,0.231206308683435
EOS-5-04826,Cn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4cc(-c5nccs5)ccn4)n23)cc1F,DFNWBPYWMDSIFA-UHFFFAOYSA-N,5,1,0.308,60,869,497.563,4.139,6,0.354,0.7,1.0,0.33978137207867865,0.30583921595504077,0.3483140291960798,0.3160167226372421,0.3274878349667603
EOS-5-04827,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCC5CC5C)n34)cc2F)n1,FNXPRZAMWDOPOM-UHFFFAOYSA-N,5,1,0.333,78,75,404.453,2.836,5,0.528,0.63,1.0,0.2406534850250154,0.22913953807141388,0.2706205880337194,0.32499485984511,0.2663521177438147
EOS-5-04829,COc1cc(-c2nnc3cncc(CNCc4cnc(-c5cnco5)nc4)n23)ccc1-c1cccs1,AAUBOVWAXCKKFZ-UHFFFAOYSA-N,5,1,0.336,60,217,496.556,4.263,6,0.33,0.66,1.0,0.3351380988280447,0.14572339113151944,0.2823058734836543,0.19953224590500993,0.2406749023370571
EOS-5-04830,COc1cc(-c2nnc3cncc(CNCC4CC4C)n23)ccc1-c1cncs1,GZQWRWRUIZIPPU-UHFFFAOYSA-N,5,1,0.37,5,75,406.515,3.669,5,0.505,0.61,1.0,0.20485230621616066,0.06831265848810911,0.36682715372489894,0.32197930230964295,0.24049285518470292
EOS-5-04831,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-c1ncccn1,WTLDLNFVSWUUIU-UHFFFAOYSA-N,5,1,0.301,60,84,491.519,2.522,6,0.338,0.7,1.0,0.14933863340415324,0.0222483037488863,0.13906689054896854,0.08189123432252758,0.09813626550613393
EOS-5-04832,CC(CC1CC1)NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,PTYXBHYHNRHEEH-UHFFFAOYSA-N,5,1,0.323,78,793,410.482,3.122,5,0.468,0.59,0.967,0.06556267562195874,0.09846823384277979,0.04840312521417312,0.14827633472688645,0.09017759235144952
EOS-5-04833,Cc1ccc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6ccnc6)nc5)n34)nn2)nn1,SOKZSZLBKBMSCN-UHFFFAOYSA-N,5,1,0.236,60,766,476.508,2.217,6,0.365,0.6,1.0,0.016482763347268864,0.0010194640531834692,0.08052052635186073,0.05935165512987458,0.03934360222054691
EOS-5-04834,COCC1CC1CNc1cncc2nnc(-c3ccc(-c4cscn4)nc3F)n12,ZRZPXBWQNMYYEP-UHFFFAOYSA-N,5,1,0.354,78,634,411.466,3.143,5,0.467,0.59,0.719,0.06749880063052567,0.02673737235282023,0.27062915495853607,0.30668734151189087,0.1678881673634432
EOS-5-04835,c1ccc(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6cscn6)s5)n34)ncn2)nc1,CSHKAERYTKFCEG-UHFFFAOYSA-N,5,1,0.347,76,368,483.586,4.118,6,0.361,0.66,1.0,0.03519292714687136,0.003006990610650401,0.11282639983551504,0.11433417860324858,0.06634012404907134
EOS-5-04836,O=C(CCCCC1CCCCC1)NCc1cncc2nnc(-c3ccc(-c4ncsn4)c(F)c3)n12,NFNXUXXEPSVANQ-UHFFFAOYSA-N,5,1,0.416,78,701,493.612,5.206,5,0.322,0.72,1.0,0.16017579329723802,0.17340312521417311,0.0012507710232335,0.016508464121718868,0.08783453841409088
EOS-5-04837,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(CNC3CCCCC3)n12,YLVJRBNYGCJXGA-UHFFFAOYSA-N,5,1,0.337,78,830,409.494,3.871,5,0.504,0.71,1.0,0.0839130285792612,0.09210300870399561,0.006005414296484134,0.06723322596120897,0.06231366938523748
EOS-5-04838,Fc1ccc(-c2cscn2)cc1-c1nnc2cncc(CNCc3ccc(-c4ccncn4)nn3)n12,IAYWRPPKBLRHJU-UHFFFAOYSA-N,5,1,0.296,60,869,496.535,3.591,6,0.353,0.55,1.0,0.28059248852032076,0.2646066068124186,0.28584401343293814,0.30021074635049005,0.28281346377904193
EOS-5-04839,CCc1ccc(-c2nnc3cncc(CNCc4cc(-c5nnco5)nn4C)n23)nc1,MGIXZQZNBRPLGL-UHFFFAOYSA-N,5,1,0.284,53,60,416.449,1.822,5,0.423,0.67,0.999,0.03014700842985402,0.006990610650400932,0.019763895552052636,0.010417380577068055,0.01682972380234391
EOS-5-04840,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1-c1cccnn1,ANACYIHPQZRWPL-UHFFFAOYSA-N,5,1,0.314,60,84,491.519,2.522,6,0.338,0.66,1.0,0.13819306421766842,0.03538996641765472,0.13581145911863476,0.09482729079569598,0.10105544513741346
EOS-5-04841,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnco5)ccn4)n23)ccc1-c1cscn1,HHIJOSIPBLFCLO-UHFFFAOYSA-N,5,1,0.314,60,217,496.556,4.263,6,0.33,0.59,1.0,0.33514666575286134,0.13115961894318415,0.3785895414981838,0.2614711123295182,0.2765917346309369
EOS-5-04842,COc1cc(-c2nnc3cncc(CNCc4cc(-n5nccn5)ncn4)n23)ccc1-c1ccncn1,YTHHGDKIXVUXOY-UHFFFAOYSA-N,5,1,0.292,60,644,492.507,1.917,6,0.332,0.63,1.0,0.18250119936947434,0.020012336371736,0.0997190048660133,0.05789527791104105,0.09003195462956617
EOS-5-04843,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ncc(C)cc1C,LJMNKMWIJGZJBR-UHFFFAOYSA-N,5,1,0.272,78,878,413.529,4.07,5,0.513,0.84,0.853,0.053157768487423755,0.006288122815434172,0.013707079706668495,0.03490165170310466,0.02701365567815777
EOS-5-04844,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)ccc1-c1ccncc1,HSGZQAFYXZHBLL-UHFFFAOYSA-N,5,1,0.333,60,149,490.531,3.127,6,0.343,0.71,1.0,0.11912308957576588,0.012576245630868343,0.3668357206497156,0.2583527516962511,0.18922195188815022
EOS-5-04845,COc1cc(-c2nnc3cncc(CNC4CCOC4)n23)ccc1-c1cscn1,KVZAIWVNUFEHEP-UHFFFAOYSA-N,5,1,0.367,5,743,408.487,2.802,5,0.525,0.58,1.0,0.17660715509560687,0.004000753889383867,0.10740353642656432,0.12775854979096704,0.10394249880063053
EOS-5-04846,Fc1cc(-c2nnc3cncc(CNCc4cc(-c5ccccn5)ncn4)n23)ccc1-c1ncsn1,PLTXCVPJVWNVJY-UHFFFAOYSA-N,5,1,0.324,60,869,496.535,3.591,6,0.353,0.59,1.0,0.269986635597286,0.29083853060105547,0.24929751216503324,0.26147967925433485,0.2679005894044274
EOS-5-04847,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1-c1ncccn1,SHYXGKDSSWHZHU-UHFFFAOYSA-N,5,1,0.317,60,84,491.519,2.522,6,0.338,0.69,1.0,0.1407545747378521,0.02456137344938661,0.10494482900418066,0.06550270714824206,0.08394087108491537
EOS-5-04848,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cccnn4)nn3)n12,LQSGSCUHWJFFEG-UHFFFAOYSA-N,5,1,0.324,60,84,496.535,3.591,6,0.353,0.56,0.998,0.2777654033308204,0.25953498732095126,0.29666403947638953,0.3316513604276609,0.29140394763895555
EOS-5-04849,Cn1cc(-c2ccc(-c3nnc4cncc(CCC5CCCCC5)n34)c(F)c2)nn1,BBKURVOROFDHOG-UHFFFAOYSA-N,5,1,0.378,78,701,405.481,4.239,5,0.497,0.77,1.0,0.16301144541155507,0.27504112123912,0.006408059762867521,0.11670721677746557,0.14029196079775202
EOS-5-04850,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)cnn4)n23)ccc1-c1cccnn1,HPFGVEPOGZKDAP-UHFFFAOYSA-N,5,1,0.308,60,84,491.519,2.522,6,0.338,0.65,1.0,0.13569152217120142,0.02943595367007059,0.18286957713659105,0.1277671167157837,0.11894104242341169
EOS-5-04851,CCCC(=O)NCc1cncc2nnc(-c3ccc(-c4cncs4)c(OC)c3)n12,HMNOQCLNFNXDTE-UHFFFAOYSA-N,5,1,0.408,5,966,408.487,3.34,4,0.504,0.84,1.0,0.15207148242067028,0.012584812555685011,0.050236447124940034,0.024107326434103214,0.059750017133849635
EOS-5-04852,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnc5)ncn4)n23)ccc1-c1cccnc1,ULXOMQFSQKDOEI-UHFFFAOYSA-N,5,1,0.312,60,663,491.519,2.522,6,0.338,0.61,1.0,0.14076314166266876,0.024569940374203274,0.25304982523473374,0.17215235419093963,0.14763381536563636
EOS-5-04853,COc1cc(-c2nnc3cncc(CCCCC4CC4)n23)ccc1-c1nccs1,IRKSGEPMXRXYQP-UHFFFAOYSA-N,5,1,0.413,5,741,405.527,5.046,5,0.384,0.79,1.0,0.21305085326571174,0.12437461448838324,0.017150983482968955,0.09100644232746213,0.11139572339113152
EOS-5-04854,COc1cc(-c2nnc3cncc(CNCc4cnc5cc(F)ccc5n4)n23)ccc1-c1cnsc1,KQQIXZACPVSESU-UHFFFAOYSA-N,5,1,0.352,60,149,498.547,4.296,6,0.348,0.57,1.0,0.38373826331300115,0.34517853471317933,0.4756013981221301,0.4462339798505928,0.41268804399972586
EOS-5-04855,CCc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)n1,DYPDGZXVSARJET-UHFFFAOYSA-N,5,1,0.337,78,830,404.453,2.987,5,0.528,0.8,1.0,0.24596497841134946,0.17768658762250703,0.02451853882530327,0.10507333287643067,0.1383108594338976
EOS-5-04856,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1ccsc1,KXXFSJRWVAYAPK-UHFFFAOYSA-N,5,1,0.408,5,966,405.483,3.555,5,0.53,0.87,1.0,0.2406620519498321,0.07908984990747721,0.0761685285449935,0.13209341374820094,0.13200346103762595
EOS-5-04858,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3cc(-n4ccnc4)ns3)n12,RLSUEIZFJILQKF-UHFFFAOYSA-N,5,1,0.279,60,84,490.553,3.381,6,0.363,0.67,1.0,0.0655712425467754,0.14197107806181894,0.16038139949283806,0.18045370433829072,0.13709435610993076
EOS-5-04859,Fc1cccc(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6nc[nH]n6)cc5F)n34)nn2)n1,CJJGXEKNZSRHAD-UHFFFAOYSA-N,5,1,0.292,60,84,497.473,2.996,6,0.319,0.66,1.0,0.3049396888492907,0.35460215201151396,0.3404752929888287,0.3638458638886985,0.34096574943458297
EOS-5-04860,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnn5)cc4)n23)ccc1-c1ccnnc1,DBTMKBJNTPWIQJ-UHFFFAOYSA-N,5,1,0.321,60,84,490.531,3.127,6,0.343,0.66,1.0,0.11074463710506477,0.016808306490302242,0.455075046261394,0.33165992735247757,0.22857197930230966
EOS-5-04861,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)ccc1-c1ncccn1,DMVQSMKVOUGEQZ-UHFFFAOYSA-N,5,1,0.33,60,663,491.519,2.522,6,0.338,0.75,1.0,0.1382016311424851,0.022256870673702966,0.18620211089027483,0.10508189980124734,0.11293562812692755
EOS-5-04862,COc1cc(-c2nnc3cncc(CNCc4nnccc4-n4cccn4)n23)ccc1-c1ncccn1,APAMVSGOUYGQSK-UHFFFAOYSA-N,5,1,0.304,60,84,491.519,2.522,6,0.338,0.61,1.0,0.14077170858748544,0.018316085258035776,0.10218627921321362,0.06898944554862586,0.08256587965184017
EOS-5-04863,CCc1ncnc(-c2ccc(-c3nnc4cncc(CNCC5CC5)n34)cc2F)n1,XDEBKOKTWUGCBS-UHFFFAOYSA-N,5,1,0.343,78,75,404.453,2.844,5,0.506,0.82,0.999,0.22401651703104652,0.23383421287094786,0.023567610170653144,0.08898464807072853,0.14260074703584402
EOS-5-04864,CCNC(=O)C1CCC(NCc2cncc3nnc(-c4ccc(-c5cnsc5)c(OC)c4)n23)CC1,OOICPCXJLAEUCS-UHFFFAOYSA-N,5,1,0.34,5,741,491.621,3.708,5,0.387,0.65,1.0,0.14934720032896992,0.013929819751901858,0.01638852717428552,0.043023096429305734,0.05567216092111576
EOS-5-04865,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1ncccn1,OOZNPPYVALURBZ-UHFFFAOYSA-N,5,1,0.31,60,149,490.531,3.127,6,0.343,0.71,1.0,0.10835446508121445,0.02002090329655267,0.28943355493112194,0.1721609211157563,0.14749246110616135
EOS-5-04866,COc1cc(-c2nnc3cncc(CNCC(F)F)n23)ccc1-c1ccsn1,NHWPMPBLXLHDDL-UHFFFAOYSA-N,5,1,0.391,5,947,402.43,3.278,4,0.511,0.72,1.0,0.35601569460626414,0.21364197107806182,0.6211962853813995,0.5021759989034337,0.42325748749228975
EOS-5-04867,CCCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cncc(C)n1,LDBDHPCDHJZWDP-UHFFFAOYSA-N,5,1,0.274,78,878,414.517,3.546,5,0.494,0.75,0.413,0.04108697142073881,0.006296689740250839,0.004728942498800631,0.013278733465835104,0.016347834281406348
EOS-5-04868,COc1cc(-c2nnc3cncc(CNCc4cc(-c5ncc(F)cn5)no4)n23)ccc1-c1cnco1,MFENQBCWVGWVNE-UHFFFAOYSA-N,5,1,0.322,60,149,499.466,3.329,6,0.329,0.63,1.0,0.4347200328969913,0.3786495099719005,0.25628812281543417,0.19134226578027552,0.31524998286615036
EOS-5-04869,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccc(-c4ccncc4)nn3)n12,WKHPGGJIWYEGBS-UHFFFAOYSA-N,5,1,0.33,60,84,496.535,3.591,6,0.353,0.64,1.0,0.27498971969022,0.2444914673428826,0.282314440408471,0.29706668494277294,0.27471557809608665
EOS-5-04871,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1ccnnc1,FWZBGUYKZJJWMX-UHFFFAOYSA-N,5,1,0.315,60,663,491.519,2.522,6,0.338,0.65,1.0,0.1357000890960181,0.020029470221369337,0.22395654855732985,0.1482849016517031,0.1319927523816051
EOS-5-04872,CCc1ncnnc1-c1ccc(-c2nnc3cncc(CNC4CCC4)n23)cc1F,QYJMDCSUUCPWQD-UHFFFAOYSA-N,5,1,0.326,78,830,404.453,2.987,5,0.528,0.8,0.999,0.24597354533616614,0.16110102117743816,0.024527105750119935,0.11671578370228222,0.1370793639915016
EOS-5-04873,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ncnn5)cn4)n23)ccc1-c1cncnc1,SFJDFLIJLBFVPS-UHFFFAOYSA-N,5,1,0.292,60,644,492.507,1.917,6,0.332,0.59,1.0,0.16018436022205468,0.03834555547940511,0.1636196970735385,0.10509046672606401,0.11681001987526557
EOS-5-04874,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1cccnc1,NDLVHQPVJYHXCU-UHFFFAOYSA-N,5,1,0.304,60,149,490.531,3.127,6,0.343,0.7,1.0,0.10339421561236378,0.020038037146186006,0.3296209992461106,0.2318466863134809,0.17122498457953533
EOS-5-04875,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(C#N)cn1,ICRYDPJRDVLUCY-UHFFFAOYSA-N,5,1,0.288,78,878,410.485,3.324,5,0.52,0.78,0.415,0.07971523541909396,0.02004660407100267,0.03908231101363854,0.12777568364060038,0.06665495853608389
EOS-5-04876,O=C(NCc1cncc2nnc(-c3ccc(-c4ccsc4)nc3)n12)C(F)(F)F,VCTMGLYVOXFQPG-UHFFFAOYSA-N,5,1,0.415,68,585,404.377,3.093,4,0.565,0.86,1.0,0.2268778699198136,0.21874785826879584,0.7575474607634843,0.6467342882598862,0.46247686930299503
EOS-5-04877,Fc1cc(-c2cncs2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cncnc4)nn3)n12,NTKDJWASTKNKCH-UHFFFAOYSA-N,5,1,0.311,60,869,496.535,3.591,6,0.353,0.66,1.0,0.2593379480501679,0.28545850181618804,0.34424473990816257,0.3475944075114797,0.30915889932149954
EOS-5-04878,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cnnn5)n4)n23)ccc1-c1ccccn1,YUESJRRVBUCZAD-UHFFFAOYSA-N,5,1,0.302,60,217,491.519,2.522,6,0.338,0.73,1.0,0.12447741758618326,0.03539853334247139,0.15109485299157013,0.1095109999314646,0.10512045096292236
EOS-5-04879,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccc(-c4ccccn4)nc3)n12,WPLSDHHFVUHINQ-UHFFFAOYSA-N,5,1,0.311,32,869,495.547,4.196,6,0.351,0.71,1.0,0.2103779727229114,0.25442910013021725,0.40781988897265437,0.4017459392776369,0.318593225275855
EOS-5-04880,COc1cc(-c2nnc3cncc(CNCC4CC4C)n23)ccc1-c1cnsc1,NHJDJYRNRNMUDK-UHFFFAOYSA-N,5,1,0.37,5,75,406.515,3.669,5,0.505,0.52,1.0,0.19106812418614214,0.060542457679391405,0.40418751285038723,0.36712699609348226,0.25573127270235074
EOS-5-04882,COc1cc(-c2nnc3cncc(CNC4CCOC4)n23)ccc1-c1cncs1,FPASUVUSPACODY-UHFFFAOYSA-N,5,1,0.375,5,75,408.487,2.802,5,0.525,0.52,1.0,0.15208004934548694,0.007607429237201015,0.1187461448838325,0.13638544308135153,0.103704766636968
EOS-5-04884,COCCCNCc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,KJKBSAXRRFSIBW-UHFFFAOYSA-N,5,1,0.371,5,743,410.503,3.05,4,0.424,0.87,1.0,0.09600952642039613,0.005320060311150709,0.07413816736344322,0.04563600849838942,0.055275940648344866
EOS-5-04885,CCc1cnc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)nc2CC)cn1,VNTZGFQMKYMHIF-UHFFFAOYSA-N,5,1,0.293,78,878,414.517,3.41,5,0.495,0.78,0.203,0.03813994928380508,0.0058169419505174425,0.005722705777534096,0.012661914879035022,0.01558537797272291
EOS-5-04886,COc1cc(-c2nnc3cncc(CNCc4cc(-n5nccn5)ncn4)n23)ccc1-c1cccnc1,LOEHVVNJPKNFET-UHFFFAOYSA-N,5,1,0.309,60,149,491.519,2.522,6,0.338,0.64,1.0,0.13296724007950106,0.018324652182852442,0.1603899664176547,0.11434274552806524,0.10650615105201836
EOS-5-04887,Cn1ncnc1-c1ccc(-c2nnc3cncc(CNC4CCOCC4)n23)c(F)c1,SGMWFEWPENKELS-UHFFFAOYSA-N,5,1,0.354,78,830,408.441,1.994,5,0.54,0.82,1.0,0.10594715920773079,0.07563737920636009,0.027868206428620382,0.09888801315879651,0.07708518950037695
EOS-5-04888,Cc1cc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)c(Cl)n2)ncn1,XQUNYBDSUAXKIK-UHFFFAOYSA-N,5,1,0.344,78,830,406.881,3.247,5,0.508,0.84,1.0,0.13570865602083476,0.1383901034884518,0.030018504557604003,0.13210198067301762,0.10905481118497704
EOS-5-04889,COc1cc(-c2nnc3cncc(CN(C)CC4CC4)n23)ccc1-c1cncs1,VADAWXYADHSCON-UHFFFAOYSA-N,5,1,0.422,5,966,406.515,3.765,5,0.465,0.8,1.0,0.17953704338290727,0.07564594613117676,0.05404016174354054,0.11435131245288191,0.10589361592762661
EOS-5-04890,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1cncnc1,UAYBIEGRNRTXBR-UHFFFAOYSA-N,5,1,0.307,60,663,491.519,2.522,6,0.338,0.66,1.0,0.12448598451099993,0.0267459392776369,0.22068398327736274,0.14336748680693578,0.12882084846823383
EOS-5-04891,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1-c1cccnc1,FFAQFAKTXKZKFM-UHFFFAOYSA-N,5,1,0.327,60,84,490.531,3.127,6,0.343,0.65,1.0,0.09833972997052978,0.022265437598519636,0.23142690699746418,0.1747652662600233,0.13169933520663424
EOS-5-04892,COc1cc(-c2nnc3cncc(CNC(C)C4CC4)n23)ccc1-c1cnsc1,ISBXGNVPAVJJBB-UHFFFAOYSA-N,5,1,0.37,5,741,406.515,3.812,5,0.503,0.59,1.0,0.19362106778150914,0.04206360084983894,0.3002707148242067,0.3098913713933247,0.21146168871221988
EOS-5-04893,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cccnc4)nn3)n12,CRUDTFYWLDLFRU-UHFFFAOYSA-N,5,1,0.35,60,84,495.547,4.196,6,0.351,0.63,1.0,0.20765369063121103,0.24951168528544992,0.4041960797752039,0.41766328558700566,0.3197561853197176
EOS-5-04894,Clc1cc(-c2ncc[nH]2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cccnn4)nn3)n12,GCTQCMBTQARGNO-UHFFFAOYSA-N,5,1,0.284,60,84,495.938,3.372,6,0.341,0.67,0.99,0.2240250839558632,0.2646151737372353,0.24214412994311563,0.3033119731341238,0.2585240901925845
EOS-5-04895,Cc1cnnc(-c2ccc(-c3nnc4cncc(CN5CCOCC5)n34)c(F)c2)n1,QLZWVLBNGXIJOD-UHFFFAOYSA-N,5,1,0.406,78,75,406.425,1.923,5,0.507,0.76,1.0,0.13571722294565142,0.18175587691042425,0.005731272702350764,0.03271708587485436,0.08898036460832018
EOS-5-04896,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnn(C)n5)ncn4)n23)ccc1-c1ccoc1,OZKJRKYEWKBTIQ-UHFFFAOYSA-N,5,1,0.303,60,149,494.519,2.935,6,0.336,0.53,1.0,0.2157237338085121,0.09541840860804605,0.19274724145020902,0.12128195462956617,0.15629283462408333
EOS-5-04897,COc1cc(-c2nnc3cncc(CNCC4CC4C)n23)ccc1-c1nccs1,CCMIBOQIOZKCHF-UHFFFAOYSA-N,5,1,0.362,5,743,406.515,3.669,5,0.505,0.61,1.0,0.18538825303269138,0.05680727845932424,0.2858525803577548,0.2462990884791995,0.1935868000822425
EOS-5-04898,CCc1ccc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)nc2CC)cn1,PQAUWBVFARSPDF-UHFFFAOYSA-N,5,1,0.277,78,878,413.529,4.015,5,0.493,0.84,0.709,0.046895346446439584,0.004831745596600644,0.018898636145569185,0.048317455966006444,0.029735796038653964
EOS-5-04899,Cc1cnnc(-c2ccc(-c3nnc4cncc(CN(C)CC5CC5)n34)cc2F)n1,FMGZQBMUIBXNPL-UHFFFAOYSA-N,5,1,0.383,78,75,404.453,2.933,5,0.488,0.81,1.0,0.19931807278459324,0.27504968816393666,0.03235727503255431,0.12354362278116647,0.15756716469056267
EOS-5-04900,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)ccc1-c1ccncc1,RGYFTMFHTVIMPE-UHFFFAOYSA-N,5,1,0.295,60,149,490.531,3.127,6,0.343,0.67,1.0,0.11075320402988144,0.008986704132684532,0.28586114728257145,0.20559762867521075,0.15279967103008704
EOS-5-04901,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ncnn5)n4)n23)ccc1-c1cccnc1,ROKSEXLTOOPKFF-UHFFFAOYSA-N,5,1,0.312,60,663,491.519,2.522,6,0.338,0.63,1.0,0.11650161058186553,0.03835412240422178,0.15393907203070387,0.11435987937769858,0.10578867109862244
EOS-5-04902,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-c1cccnc1,CLHUTERWDIHVPH-UHFFFAOYSA-N,5,1,0.312,60,84,490.531,3.127,6,0.343,0.67,1.0,0.09834829689534645,0.01833321910766911,0.2858697142073881,0.2084589815639778,0.15275255294359535
EOS-5-04903,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1ncccn1,KZHJBUBGZQWLND-UHFFFAOYSA-N,5,1,0.29,60,149,491.519,2.522,6,0.338,0.68,1.0,0.1244945514358166,0.022274004523336305,0.16983071756562265,0.09287403193749572,0.10236832636556782
EOS-5-04904,COc1cc(-c2nnc3cncc(CNCC4CC4C)n23)ccc1-c1nncs1,JGHZIVRWMANBFG-UHFFFAOYSA-N,5,1,0.358,5,75,407.503,3.064,5,0.503,0.62,1.0,0.15208861627030362,0.03836268932903845,0.1927558083750257,0.17477383318483997,0.13949523678980194
EOS-5-04905,CCc1cncc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)nc2CC)n1,YQSREBXIYSJKOX-UHFFFAOYSA-N,5,1,0.28,78,878,414.517,3.41,5,0.495,0.68,0.291,0.03814851620862175,0.004429100130217257,0.005028784867384004,0.01267048180385169,0.015069220752518677
EOS-5-04906,COc1cc(-c2nnc3cncc(OCc4cccc(-c5nccs5)n4)n23)ccc1-c1cscn1,RDOGWJKOGQYTPP-UHFFFAOYSA-N,5,1,0.527,28,120,499.581,5.021,6,0.302,0.57,1.0,0.42587039956137346,0.3881159618943184,0.33363888698512784,0.2347508738263313,0.3455940305667878
EOS-5-04907,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1ccccn1,LYGVXOMLNPKHNW-UHFFFAOYSA-N,5,1,0.313,60,217,489.543,3.732,6,0.345,0.72,1.0,0.07149098759509287,0.02228257144815297,0.42209238571722296,0.2970752518675896,0.2032352991570146
EOS-5-04908,COc1cc(-c2nnc3cncc(CNCC4CC4C)n23)ccc1-c1ccsn1,CSIJBDSRAOWIPV-UHFFFAOYSA-N,5,1,0.362,5,743,406.515,3.669,5,0.505,0.61,1.0,0.182509766294291,0.05681584538414091,0.3336474539099445,0.30332054005894044,0.21907340141182924
EOS-5-04910,COc1cc(-c2nnc3cncc(CNCc4cc(-n5nccn5)ncn4)n23)ccc1-c1ncccn1,NOHYBEBHNJGHLO-UHFFFAOYSA-N,5,1,0.295,60,644,492.507,1.917,6,0.332,0.6,1.0,0.16019292714687136,0.02005517099581934,0.06761873757795901,0.03589541498183812,0.07094056267562196
EOS-5-04911,Fc1cc(-c2nnc3cncc(CNCc4nncnc4-c4cccnc4)n23)ccc1-c1nccs1,BZHYVAHYIAHKPS-UHFFFAOYSA-N,5,1,0.337,60,869,496.535,3.591,6,0.353,0.64,1.0,0.2699952025221027,0.2187564251936125,0.2031303543280104,0.24630765540401617,0.23454740936193547
EOS-5-04912,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)ccc1-c1cccnc1,YKNRMQIEQVDUJD-UHFFFAOYSA-N,5,1,0.304,60,149,490.531,3.127,6,0.343,0.7,1.0,0.10340278253718045,0.011582482352134878,0.27483551504352,0.19667945994105956,0.14662505996847372
EOS-5-04913,CN(CCCCl)c1ccc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)cc1,CUQSQNFYYSACLX-UHFFFAOYSA-N,5,1,0.342,60,416,488.987,3.122,5,0.299,0.68,1.0,0.07149955451990954,0.008995271057501199,0.11283496676033171,0.06899801247344253,0.06558195120279625
EOS-5-04914,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5cnco5)cc4)n23)ccc1-c1cncs1,KXQGNFDGDCOSDZ-UHFFFAOYSA-N,5,1,0.365,41,149,495.568,4.868,6,0.319,0.68,1.0,0.2459821122609828,0.13839867041326845,0.5807175656226441,0.4462425467754095,0.3528352237680762
EOS-5-04915,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ncnn5)cn4)n23)ccc1-c1cccnn1,IQECQIWLQQSTMX-UHFFFAOYSA-N,5,1,0.29,60,84,492.507,1.917,6,0.332,0.62,1.0,0.15209718319512028,0.03237440888218765,0.12168460009594956,0.07862723596737715,0.09619585703515866
EOS-5-04916,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)ccc1-c1ccnnc1,ANAVLMPSHQFZNR-UHFFFAOYSA-N,5,1,0.295,60,84,491.519,2.522,6,0.338,0.59,1.0,0.1357257898704681,0.011591049276951546,0.22069255020217943,0.14337605373175244,0.12784636077033787
EOS-5-04917,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCCC5)n34)c(F)c2)n1,RKACEULGUIOKPD-UHFFFAOYSA-N,5,1,0.326,78,830,404.453,3.123,5,0.546,0.82,1.0,0.22403365088067986,0.17769515454732368,0.01715955040778562,0.10509903365088068,0.13099684737166745
EOS-5-04918,Fc1cc(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6ncsn6)cc5)n34)nn2)ccn1,WJZMHTOIVNGOCP-UHFFFAOYSA-N,5,1,0.333,60,84,496.535,3.591,6,0.331,0.58,1.0,0.2888510040435885,0.164973271194572,0.27484408196833665,0.27926461517373724,0.2519832430950586
EOS-5-04919,Cc1cccc(COc2cncc3nnc(-c4ccnc(-c5nccs5)c4)n23)n1,SVGXZLMYKOUTMF-UHFFFAOYSA-N,5,1,0.557,24,912,401.455,3.592,5,0.444,0.77,1.0,0.3628692344595984,0.33511239805359466,0.20676273045027757,0.15336508806798713,0.2645273627578645
EOS-5-04920,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1ccncn1,XVUXNLOWVRDMPD-UHFFFAOYSA-N,5,1,0.289,60,644,493.495,1.312,6,0.324,0.71,1.0,0.19932663970940992,0.02229113837296964,0.08548934274552807,0.052241107532040296,0.08983705708998699
EOS-5-04921,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cncn5)c4)n23)ccc1-c1ccnnc1,JDAZPTOLWOHMGK-UHFFFAOYSA-N,5,1,0.31,60,663,491.519,2.522,6,0.338,0.63,1.0,0.12450311836063327,0.015334795421835377,0.30027928174902335,0.1995408128298266,0.15991450209032965
EOS-5-04922,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1ccncc1,PFYGTGBBOKDJSE-UHFFFAOYSA-N,5,1,0.317,60,149,489.543,3.732,6,0.345,0.67,1.0,0.07545747378521006,0.012593379480501678,0.4963162223288328,0.3638544308135152,0.23705537660201495
EOS-5-04923,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)ccc1-c1cncnc1,GNPHQTPZBOCLOP-UHFFFAOYSA-N,5,1,0.292,60,644,491.519,2.522,6,0.338,0.65,1.0,0.12451168528544994,0.015343362346652047,0.2169231032828456,0.13869851278185183,0.12386916592419986
EOS-5-04924,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1-c1ccncc1,BBGTYFHJKFACSX-UHFFFAOYSA-N,5,1,0.32,60,84,490.531,3.127,6,0.343,0.63,1.0,0.09359365362209582,0.015351929271468714,0.24215269686793228,0.18316085258035775,0.13356478308546366
EOS-5-04925,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3cc(-c4ccncn4)ncn3)n12,OAHSRYWLARLMKQ-UHFFFAOYSA-N,5,1,0.294,60,869,497.523,2.986,6,0.351,0.56,1.0,0.31005414296484135,0.26462374066205196,0.21361627030361183,0.21160304297169488,0.24997429922555
EOS-5-04926,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3cc(-c4cnccn4)ncn3)n12,QKNZONBYVBUGHY-UHFFFAOYSA-N,5,1,0.296,60,869,496.535,3.591,6,0.353,0.56,1.0,0.25148207799328354,0.24450003426769926,0.2748526488931533,0.2703036118155027,0.2602845932424097
EOS-5-04927,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1ccncc1,JXSWMYWPQBAKDD-UHFFFAOYSA-N,5,1,0.305,60,149,490.531,3.127,6,0.343,0.67,1.0,0.0960180933452128,0.012601946405318348,0.3404838599136454,0.24061065040093207,0.17242863751627716
EOS-5-04928,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cn[nH]c5)ccn4)n23)ccc1-c1cnsc1,DAEUWSZKXHOLLG-UHFFFAOYSA-N,5,1,0.3,60,149,495.572,3.998,6,0.325,0.46,1.0,0.2563652251387842,0.1016636967993969,0.4442464532931259,0.33796518401754505,0.285060139812213
EOS-5-04929,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1-c1ccccn1,KYEWXNOTXSNIJS-UHFFFAOYSA-N,5,1,0.321,60,84,490.531,3.127,6,0.343,0.71,1.0,0.08864197107806182,0.022299705297786306,0.18931190459872524,0.1363940100061682,0.10916189774518538
EOS-5-04930,Cc1cccc(COc2cncc3nnc(-c4cncc(-c5nccs5)c4)n23)n1,KNZBGQYGMIMJAZ-UHFFFAOYSA-N,5,1,0.494,4,464,401.455,3.592,5,0.444,0.82,1.0,0.36287780138441506,0.31613665958467546,0.23865739154273183,0.1857823315742581,0.2758635460215201
EOS-5-04931,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnc5)ncn4)n23)ccc1-c1cncnc1,LKZQMLUPRAVRES-UHFFFAOYSA-N,5,1,0.301,60,644,492.507,1.917,6,0.332,0.57,1.0,0.14935576725378658,0.024578507299019944,0.19612260982797616,0.12129052155438284,0.12283685148379138
EOS-5-04932,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cnnn5)c4)n23)ccc1-c1ccccn1,YYQDEKUSQZKFLW-UHFFFAOYSA-N,5,1,0.307,60,217,491.519,2.522,6,0.338,0.77,1.0,0.11370022616681516,0.024587074223836613,0.21362483722842848,0.15337365499280378,0.126321448152971
EOS-5-04933,Fc1cc(-c2cnsc2)ccc1-c1nnc2cncc(CNCc3cc(-c4cnccn4)ncn3)n12,MMHCOQPBHUSNTP-UHFFFAOYSA-N,5,1,0.296,60,869,496.535,3.591,6,0.353,0.48,1.0,0.24316359399629908,0.2646323075868686,0.35939106298403123,0.3605047632101981,0.3069229319443493
EOS-5-04934,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-c1cncnc1,FHDKIODJYRKABE-UHFFFAOYSA-N,5,1,0.304,60,84,491.519,2.522,6,0.338,0.66,0.999,0.1165101775066822,0.02006373792063601,0.22396511548214654,0.14829346857651976,0.12720812487149613
EOS-5-04935,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-c1cccnn1,GBQMLRHIWBJLPV-UHFFFAOYSA-N,5,1,0.298,60,84,491.519,2.522,6,0.338,0.68,1.0,0.11913165650058255,0.01834178603248578,0.17646151737372354,0.11672435062709889,0.1076648276334727
EOS-5-04936,Fc1cc(-c2nnc3cncc(CNCc4ccc(-c5cccnn5)nn4)n23)ccc1-c1ncsn1,PQMASZBYQRSSDK-UHFFFAOYSA-N,5,1,0.326,60,84,497.523,2.986,6,0.351,0.61,1.0,0.29969673086148996,0.28546706874100475,0.14789082311013638,0.17478240010965665,0.22695925570557193
EOS-5-04937,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3cc(-n4ccnc4)ncn3)n12,ONQMGCLYLVLZRM-UHFFFAOYSA-N,5,1,0.28,60,869,491.544,3.052,6,0.357,0.75,1.0,0.09602666027002947,0.06832122541292578,0.26006613665958467,0.22284284833116305,0.16181421766842574
EOS-5-04938,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1cnccn1,GYOGESARGTXGFR-UHFFFAOYSA-N,5,1,0.31,60,149,490.531,3.127,6,0.343,0.68,1.0,0.08629463367829483,0.020072304845452676,0.35197210609279694,0.22572133506956343,0.17101509492152697
EOS-5-04939,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1ccncc1,YLONDEIFZZFXNR-UHFFFAOYSA-N,5,1,0.301,60,663,491.519,2.522,6,0.338,0.66,0.999,0.12452025221026661,0.010725789870468096,0.22771742855184704,0.15604653553560413,0.12975250154204646
EOS-5-04940,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c(F)c1C,WCFPLUJWQIGYJK-UHFFFAOYSA-N,5,1,0.469,62,504,498.493,4.657,5,0.367,0.82,1.0,0.3397899390034953,0.35949386608183126,0.7532382975807004,0.6321191145226509,0.5211603042971694
EOS-5-04941,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cnnn5)c4)n23)ccc1-c1cccnc1,CCUWDFDKCDUISI-UHFFFAOYSA-N,5,1,0.321,60,149,491.519,2.522,6,0.338,0.7,1.0,0.11076177095469811,0.022308272222602975,0.2600747035844013,0.19407511479679254,0.14680496538962373
EOS-5-04942,CCCCN(C)Cc1cncc2nnc(-c3ccc(-c4nccs4)c(OC)c3)n12,UZDBOIVILXKPCE-UHFFFAOYSA-N,5,1,0.413,5,743,408.531,4.155,4,0.436,0.8,1.0,0.10836303200603112,0.02675450620245357,0.03634946199712151,0.024115893358919883,0.04889572339113152
EOS-5-04943,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4cscn4)cc3)n12,ZWLWBGVTRFLISV-UHFFFAOYSA-N,5,1,0.368,5,75,406.515,3.287,5,0.484,0.57,1.0,0.17954561030772395,0.03540710026728806,0.3404924268384621,0.39550065108628607,0.23773644712494005
EOS-5-04944,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cnnn5)c4)n23)ccc1-c1ccncc1,WNJCAPYORNAASW-UHFFFAOYSA-N,5,1,0.315,60,149,491.519,2.522,6,0.338,0.66,1.0,0.11914022342539922,0.012610513330135015,0.2706377218833528,0.20262490576382702,0.1512533411006785
EOS-5-04945,COc1cc(-c2nnc3cncc(CNC4CCOC4)n23)ccc1-c1nccs1,REBIDYTYQUFGIC-UHFFFAOYSA-N,5,1,0.367,5,743,408.487,2.802,5,0.525,0.61,1.0,0.14366732917551917,0.0040093208142005345,0.07617709546981016,0.0910150092522788,0.07871718867795216
EOS-5-04946,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1cccnc1,NSKBENRGQBYHMO-UHFFFAOYSA-N,5,1,0.315,60,663,491.519,2.522,6,0.338,0.73,1.0,0.11651874443149887,0.016816873415118908,0.21693167020766227,0.14830203550133644,0.12464233088890414
EOS-5-04947,Cc1csc(-c2nnc3cncc(CNCc4cc(-c5ncccn5)ncn4)n23)c1,BTVKATVSEUWQHO-UHFFFAOYSA-N,5,1,0.29,7,60,415.486,2.698,5,0.451,0.69,1.0,0.03520149407168802,0.0007453224590500993,0.04506202453567267,0.036897745185388256,0.029476646562949762
EOS-5-04948,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5cc(-n6ccnc6)cnn5)n34)cc2F)n1,JSIUWGUEDRWPFU-UHFFFAOYSA-N,5,1,0.277,60,84,494.498,2.356,6,0.352,0.57,1.0,0.17661572202042355,0.13116818586800083,0.1828781440614077,0.16936810362552257,0.16500753889383865
EOS-5-04949,Clc1ccc(-c2nnc3cncc(NCc4cc(-c5cncnn5)ncn4)n23)cc1,FMZMXMHBKPVVQM-UHFFFAOYSA-N,5,1,0.487,22,844,416.836,2.699,5,0.461,0.71,1.0,0.01247344253306833,0.02944452059488726,0.24930607908984992,0.29708381879240625,0.14707696525255293
EOS-5-04950,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3cccc(-c4ncccn4)n3)n12,UASDBKPEUBQZFH-UHFFFAOYSA-N,5,1,0.319,60,84,496.535,3.591,6,0.353,0.67,1.0,0.24599067918579948,0.2394369817010486,0.2031389212528271,0.21161160989651154,0.22504454800904666
EOS-5-04951,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)ccc1-c1cncnc1,KWAQFDDSFKDLFZ-UHFFFAOYSA-N,5,1,0.327,60,663,491.519,2.522,6,0.338,0.69,1.0,0.10837159893084779,0.022316839147419644,0.2894421218559386,0.18316941950517443,0.1508249948598451
EOS-5-04952,Fc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3cncc(-c4ccnnc4)n3)n12,ZCUSZXWSACRJPF-UHFFFAOYSA-N,5,1,0.296,60,84,496.535,3.591,6,0.353,0.57,1.0,0.2538893838667672,0.21365053800287848,0.29667260640120624,0.3002193132753067,0.2661079603865396
EOS-5-04953,Cc1ccnc(-c2ccc(-c3nnc4cncc(CNC5CCCC5)n34)c(F)c2)n1,BPXNVCVTYMRWGZ-UHFFFAOYSA-N,5,1,0.323,78,830,403.465,3.728,5,0.547,0.86,1.0,0.26201082859296826,0.19033993557672538,0.041943663902405594,0.17216948804057294,0.16661597902816805
EOS-5-04954,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1cncnc1,SOEKMLDMWRXBQV-UHFFFAOYSA-N,5,1,0.295,60,149,491.519,2.522,6,0.338,0.66,1.0,0.11077033787951476,0.020080871770269345,0.2672966212048523,0.16663525460900555,0.1411957713659105
EOS-5-04955,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccnc(-c4cncnc4)n3)n12,IDPFETFKESAHKV-UHFFFAOYSA-N,5,1,0.288,60,869,497.523,2.986,6,0.351,0.64,1.0,0.3022154067575903,0.2544376670550339,0.17330888904118977,0.1804622712631074,0.22760605852923035
EOS-5-04956,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3ccc(-c4ccccn4)nc3)n12,NYUZWVTUUWRFCO-UHFFFAOYSA-N,5,1,0.321,32,368,495.547,4.196,6,0.329,0.62,1.0,0.1882067712973751,0.2338427797957645,0.27849359194023715,0.26757932972380233,0.24203061818929478
EOS-5-04957,Fc1cc(OCc2cncc3nnc(-c4ccc(-c5ccncc5)nn4)n23)ccn1,KMBVDZVUNLKAGI-UHFFFAOYSA-N,5,1,0.33,54,920,400.377,2.756,5,0.415,0.79,0.997,0.39686279213213627,0.4119063121102049,0.42588753341100677,0.42112432321293947,0.41394524021657186
EOS-5-04958,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3cccc(-c4ccccn4)n3)n12,YTHMXFZXXHDIQV-UHFFFAOYSA-N,5,1,0.31,28,368,495.547,4.196,6,0.329,0.59,1.0,0.19107669111095882,0.21876499211842917,0.26008327050921803,0.2644010006168186,0.23358148858885616
EOS-5-04959,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4ccnnc4)c(OC)c3)n12,QOLPMNLXUWYENM-UHFFFAOYSA-N,5,1,0.396,5,966,405.418,1.519,4,0.492,0.82,1.0,0.2352563223905147,0.02459564114865328,0.15110341991638682,0.06724179288602564,0.11954929408539511
EOS-5-04960,COc1cc(-c2nnc3cncc(CNC4CCOCC4)n23)ccc1-c1nnco1,YQKKXZBUIWKGLP-UHFFFAOYSA-N,5,1,0.378,5,743,407.434,2.118,5,0.513,0.8,1.0,0.18251833321910768,0.0030155575354670686,0.021451579740936193,0.040521554382838734,0.06187675621958742
EOS-5-04961,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnn(C)c5)ncn4)n23)ccc1-c1cnco1,SVOLFXOKVZGQNJ-UHFFFAOYSA-N,5,1,0.312,60,149,494.519,2.935,6,0.336,0.6,1.0,0.18539681995750806,0.10481632513193065,0.2634158042629018,0.14338462065656912,0.1742533925022274
EOS-5-04962,COc1cc(-c2nnc3cncc(CNCc4ocnc4-c4ccncc4)n23)ccc1-c1cscn1,BFCHNBFQSVGBCO-UHFFFAOYSA-N,5,1,0.324,60,217,496.556,4.263,6,0.33,0.62,1.0,0.2888595709684052,0.12071653759166609,0.28945068878075525,0.2056061956000274,0.22615824823521352
EOS-5-04963,Cc1cnc(-c2ccc(-c3nnc4cncc(CNCc5cccc(-n6cncn6)n5)n34)cc2F)nn1,ZTARTGHJBMBOEW-UHFFFAOYSA-N,5,1,0.306,60,663,494.498,2.356,6,0.352,0.67,1.0,0.14367589610033582,0.19945514358165992,0.1269189911589336,0.11673291755191556,0.1466957370982112
EOS-5-04964,Fc1cc(-c2ncsn2)ccc1-c1nnc2cncc(CNCc3cc(-c4ccnnc4)ncn3)n12,FLPCTKYSHJRLMK-UHFFFAOYSA-N,5,1,0.309,60,869,497.523,2.986,6,0.351,0.59,1.0,0.28597251730518813,0.2854756356658214,0.24216126379274897,0.24061921732574876,0.2635571585223768
EOS-5-04965,Cc1nc(-c2nnc3cncc(CNCc4cccc(-n5ccnn5)n4)n23)ccc1-c1ccsn1,UXOJPIKNFUNDPV-UHFFFAOYSA-N,5,1,0.284,60,869,481.549,2.884,6,0.366,0.62,0.981,0.011668151600301557,0.0069991775752176,0.050245014049756696,0.04184086080460558,0.027688301007470356
EOS-5-04966,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccnc(-c4ccccn4)n3)n12,FKSFYFVTERSFIY-UHFFFAOYSA-N,5,1,0.327,60,84,496.535,3.591,6,0.353,0.67,1.0,0.2379206360084984,0.24450860119251594,0.19276437529984236,0.20846754848879445,0.22091529024741277
EOS-5-04967,COc1cc(-c2nnc3cncc(CNC4CCC(C(=O)N(C)C)CC4)n23)ccc1-c1cnsn1,CPEFWTLTRLSROE-UHFFFAOYSA-N,5,1,0.34,5,741,492.609,3.055,5,0.419,0.7,1.0,0.1548300322116373,0.011599616201768213,0.006013981221300802,0.009612089644301281,0.0455139298197519
EOS-5-04968,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1-c1ccnnc1,ITLTZADOTORHBY-UHFFFAOYSA-N,5,1,0.317,60,84,491.519,2.522,6,0.338,0.58,1.0,0.10341134946199712,0.024604208073469948,0.1828867109862244,0.12778425056541703,0.10967162977177712
EOS-5-04969,CCNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c(F)c1,IRPYSCGMUGSJTB-UHFFFAOYSA-N,5,1,0.479,62,504,498.493,4.739,5,0.352,0.79,1.0,0.32506339524364336,0.36919162497429925,0.7337142759235145,0.6289579192653005,0.5142318038516894
EOS-5-04970,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1cncnc1,UAUHRNPXVBMKAR-UHFFFAOYSA-N,5,1,0.31,60,149,490.531,3.127,6,0.343,0.69,1.0,0.07972380234391063,0.02008943869508601,0.4108525803577548,0.2762147899390035,0.19672015283393873
EOS-5-04971,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCCC5)n34)cc2F)n1,AQWGCHYEJDSFIF-UHFFFAOYSA-N,5,1,0.326,78,830,404.453,3.123,5,0.546,0.79,1.0,0.2130594201905284,0.15357069426358713,0.01716811733260229,0.10510760057569735,0.12222645809060378
EOS-5-04973,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4cnccn4)c(OC)c3)n12,LJYMJHSRPWUMAU-UHFFFAOYSA-N,5,1,0.396,5,966,405.418,1.519,4,0.492,0.83,1.0,0.23218936330614762,0.02232540607223631,0.11006785004454801,0.0430316633541224,0.10190357069426358
EOS-5-04974,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)ccc1-c1cccnn1,JWZAIQVHOICHHJ-UHFFFAOYSA-N,5,1,0.324,60,663,491.519,2.522,6,0.338,0.74,1.0,0.10595572613254746,0.02009800561990268,0.23143547392228087,0.14603180042491948,0.1258802515249126
EOS-5-04975,COc1cc(-c2nnc3cncc(CNCc4cnc(-c5ccco5)cn4)n23)ccc1-c1nccs1,FRVCOVASNPLKEY-UHFFFAOYSA-N,5,1,0.333,60,217,496.556,4.263,6,0.33,0.74,1.0,0.2916352546090056,0.11729833458981564,0.23144404084709752,0.1560551024604208,0.1991081831265849
EOS-5-04976,COc1cc(-c2nnc3cncc(CNC4CCNC4)n23)ccc1-c1cncs1,RLEHSCCVKFPULF-UHFFFAOYSA-N,5,1,0.356,5,75,407.503,2.375,5,0.507,0.62,1.0,0.16020149407168802,0.0063052566650675075,0.06169899252964156,0.08362175313549448,0.07795687410047289
EOS-5-04977,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnn(C)c5)ncn4)n23)ccc1-c1cnoc1,UYECKZZGQPRYLN-UHFFFAOYSA-N,5,1,0.312,60,149,494.519,2.935,6,0.336,0.56,1.0,0.18540538688232472,0.09847680076759646,0.2894592557055719,0.16937667055033925,0.18567952847645808
EOS-5-04978,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1ccccn1,YPKKBYMAUAQHOV-UHFFFAOYSA-N,5,1,0.299,60,217,490.531,3.127,6,0.343,0.71,1.0,0.07736789801932699,0.018350352957302446,0.2785021588650538,0.18317798642999109,0.13934959906791858
EOS-5-04979,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6ccnn6)cc5)n34)cc2F)n1,SCBSHFNICXFELW-UHFFFAOYSA-N,5,1,0.308,60,84,493.51,2.961,6,0.357,0.71,1.0,0.12452881913508328,0.12787848673840038,0.322287711603043,0.2939911589335892,0.21717154410252895
EOS-5-04980,Cc1nc(-c2ccc(-c3nnc4cncc(CNCC(F)F)n34)cc2F)n(C)n1,WQEPZQPRZQOFAP-UHFFFAOYSA-N,5,1,0.36,78,75,402.384,2.389,4,0.533,0.68,1.0,0.27000376944691934,0.3302635186073607,0.4006322390514701,0.3829843739291344,0.3459709752587211
EOS-5-04981,Fc1cc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cccnn4)nn3)n12,LNRJMRYEDIYZAQ-UHFFFAOYSA-N,5,1,0.314,60,84,496.535,3.591,6,0.353,0.56,1.0,0.22688643684463025,0.2544462339798506,0.2600918374340347,0.28794291001302175,0.25734185456788433
EOS-5-04982,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ncnn5)n4)n23)ccc1-c1ccncc1,BIVARRBXDYWXKB-UHFFFAOYSA-N,5,1,0.305,60,663,491.519,2.522,6,0.338,0.63,1.0,0.09835686382016312,0.024612774998286614,0.1603985333424714,0.12129908847919951,0.10116681516003016
EOS-5-04983,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1ccccn1,ZXHAGKFCQDAUJX-UHFFFAOYSA-N,5,1,0.302,60,663,491.519,2.522,6,0.338,0.71,1.0,0.10080700431773011,0.018358919882119115,0.1764700842985402,0.11436844630251525,0.10250111370022617
EOS-5-04984,C#Cc1ncc(-c2nnc3cncc(OCCc4ccc(F)c(Cl)c4)n23)cn1,WPSRRDFDUNBLQM-UHFFFAOYSA-N,5,1,0.736,90,811,394.797,2.977,4,0.484,0.7,1.0,0.8760708656020835,0.906749023370571,0.7510280309780001,0.7494945514358166,0.8208356178466177
EOS-5-04985,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1-c1cncnc1,WBUKSVDAKOGOQB-UHFFFAOYSA-N,5,1,0.311,60,84,491.519,2.522,6,0.338,0.63,1.0,0.09836543074497978,0.024621341923103283,0.1796569803303406,0.12355218970598314,0.1065489856761017
EOS-5-04986,O=C(NCc1cncc2nnc(-c3ccc(-c4cncnc4)c(F)c3)n12)C1CCC1,HDKLBWJXXBTXBO-UHFFFAOYSA-N,5,1,0.433,78,753,403.421,2.804,5,0.55,0.87,1.0,0.25389795079158384,0.1817644438352409,0.05404872866835721,0.19668802686587622,0.17159978754026456
EOS-5-04987,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cnccn4)nc3)n12,PNRMHZOYRORYIM-UHFFFAOYSA-N,5,1,0.297,60,869,496.535,3.591,6,0.353,0.64,1.0,0.2321979302309643,0.2338513467205812,0.33692858611472826,0.3219878692344596,0.28124143307518334
EOS-5-04988,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncs5)ncn4)n23)ccc1-c1ccoc1,JDPUBUGKTUVKRU-UHFFFAOYSA-N,5,1,0.327,60,149,496.556,4.263,6,0.33,0.54,1.0,0.27258241381673637,0.13466349119320128,0.34832259612089644,0.2614882461791515,0.2542641868274964
EOS-5-04989,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)ccc1-c1cccnc1,YRKVZFUVQMNVHE-UHFFFAOYSA-N,5,1,0.324,60,663,491.519,2.522,6,0.338,0.66,0.999,0.10081557124254678,0.01836748680693578,0.1796655472551573,0.13211054759783428,0.10773978822561853
EOS-5-04990,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)ccc1-c1cccnn1,YGOBRUSQKQXSFP-UHFFFAOYSA-N,5,1,0.308,60,663,492.507,1.917,6,0.332,0.67,0.997,0.13297580700431774,0.02233397299705298,0.10219484613803029,0.0672503598108423,0.08118874648756083
EOS-5-04991,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3)n12,XVZPRVZWASNIPC-UHFFFAOYSA-N,5,1,0.385,78,75,407.503,2.682,5,0.48,0.53,1.0,0.13821019806730175,0.013938386676718525,0.18621067781509149,0.24360050716194914,0.14548994243026522
EOS-5-04992,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnn(C)c5)ncn4)n23)ccc1-c1ccon1,SQJIVNUNMYSZJP-UHFFFAOYSA-N,5,1,0.311,60,217,494.519,2.935,6,0.336,0.6,1.0,0.18821533822219177,0.08262798985676102,0.24216983071756562,0.13424371187718456,0.16181421766842574
EOS-5-04993,COc1cc(-c2nnc3cncc(CNCc4csc(-c5cnco5)c4)n23)ccc1-c1cncnc1,KLYYLQMUMZOTQW-UHFFFAOYSA-N,5,1,0.306,60,149,496.556,4.263,6,0.33,0.5,1.0,0.26712528270851893,0.1419796449866356,0.44776745939277635,0.32199643615927626,0.2947172058118018
EOS-5-04994,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCC5CCC5)n34)cc2F)n1,PIYDDJPFHDOQSU-UHFFFAOYSA-N,5,1,0.362,78,75,404.453,2.981,5,0.528,0.77,1.0,0.19108525803577547,0.18177301076005756,0.020731958056336097,0.11674148447673223,0.12758292783222536
EOS-5-04995,COc1cc(-c2nnc3cncc(CNCc4cc(-n5nccn5)ncn4)n23)ccc1-c1cnccn1,TVXLWVBTWFHGRF-UHFFFAOYSA-N,5,1,0.295,60,644,492.507,1.917,6,0.332,0.63,1.0,0.1329843739291344,0.016825440339935577,0.09249708724556233,0.05493968884929066,0.07431164759098075
EOS-5-04996,N#Cc1cc(-c2nnc3cncc(-c4cncc(-c5cnco5)c4)n23)ccc1Cl,AXWREUBZKCDINR-UHFFFAOYSA-N,5,1,0.359,82,859,399.801,4.033,5,0.45,0.75,1.0,0.3813823589884175,0.5420978685491056,0.8737663628263999,0.8885014735110685,0.6714370159687478
EOS-5-04997,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1cncnc1,DZPMYXVQAKNOAZ-UHFFFAOYSA-N,5,1,0.298,60,644,492.507,1.917,6,0.332,0.65,1.0,0.13299294085395105,0.016834007264752246,0.1666523884586389,0.10306867246933041,0.10488700226166814
EOS-5-04998,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cnnn5)n4)n23)ccc1-c1cccnn1,OANSZFNCBMFMKN-UHFFFAOYSA-N,5,1,0.296,60,663,492.507,1.917,6,0.332,0.69,1.0,0.12453738605989993,0.026763073127270234,0.10741210335138099,0.0747549859502433,0.08336688712219861
EOS-5-04999,COc1cc(-c2nnc3cncc(CN(C)CC4CC4)n23)ccc1-c1nccs1,JAFPRWYKTQYIKB-UHFFFAOYSA-N,5,1,0.413,5,743,406.515,3.765,5,0.465,0.84,1.0,0.14629737509423618,0.060551024604208074,0.03236584195737098,0.0727845932424097,0.07799970872455624
EOS-5-05000,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1ccnnc1,GUSJFXAKAUQLGV-UHFFFAOYSA-N,5,1,0.292,60,149,491.519,2.522,6,0.338,0.62,1.0,0.10341991638681379,0.012619080254951683,0.27064628880816943,0.17217805496538963,0.13971583510383112
EOS-5-05001,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5nccn5)nn4)n23)ccc1-c1cccnc1,HKICRZDOAIXERW-UHFFFAOYSA-N,5,1,0.321,60,84,491.519,2.522,6,0.338,0.61,1.0,0.09603522719484614,0.022342539921869645,0.12993454869440066,0.09680625042834624,0.08627964155986567
EOS-5-05002,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5ncnn5)c4)n23)ccc1-c1cccnc1,MAWSVFJNFDYYCX-UHFFFAOYSA-N,5,1,0.31,60,149,491.519,2.522,6,0.338,0.61,1.0,0.08865053800287849,0.02945308751970393,0.21694023713247892,0.1588479199506545,0.12347294565142897
EOS-5-05003,COc1cc(-c2nnc3cncc(CNCC4CC4)n23)ccc1-c1csc(C)n1,XUOYDXZUZXHEHC-UHFFFAOYSA-N,5,1,0.376,5,743,406.515,3.731,5,0.504,0.84,1.0,0.1602100609965047,0.029461654444520594,0.050253580974573366,0.0889932149955452,0.08222962785278597
EOS-5-05004,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cncnc4)nc3)n12,FIMVDQABLSTFDP-UHFFFAOYSA-N,5,1,0.297,60,869,496.535,3.591,6,0.353,0.66,1.0,0.22404221780549655,0.23944554862586526,0.39318758138578574,0.370176821328216,0.3067130422863409
EOS-5-05005,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cnnc5)nn4)n23)ccc1-c1ccnnc1,XRIDSODWLGKRFS-UHFFFAOYSA-N,5,1,0.318,60,84,492.507,1.917,6,0.332,0.55,1.0,0.11914879035021589,0.026771640052086904,0.16666095538345554,0.10951956685628127,0.1055252381605099
EOS-5-05006,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnn(C)n5)on4)n23)ccc1-c1cccnc1,PVKQFQCGQHAQFO-UHFFFAOYSA-N,5,1,0.315,60,149,494.519,2.935,6,0.336,0.63,1.0,0.17383147145500652,0.08916455349187856,0.1698392844904393,0.1119354396545816,0.1361926872729765
EOS-5-05007,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccc5)ncn4)n23)ccc1-c1cscn1,ZDNAKJLUDBFIBT-UHFFFAOYSA-N,5,1,0.301,60,217,495.572,3.794,6,0.34,0.63,1.0,0.23526488931533138,0.07909841683229388,0.27486121581796996,0.1886265506133918,0.19446276814474675
EOS-5-05008,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1cccnn1,YSLRAUYVEFJWDI-UHFFFAOYSA-N,5,1,0.293,60,663,492.507,1.917,6,0.332,0.66,1.0,0.1272616681516003,0.01837605373175245,0.12692755808375025,0.07863580289219382,0.08780027071482421
EOS-5-05009,Fc1ncccc1-c1ccc(CNCc2cncc3nnc(-c4ccc(-c5cscn5)nc4)n23)nn1,CTMFGNUQBGLVEI-UHFFFAOYSA-N,5,1,0.361,60,869,496.535,3.591,6,0.331,0.68,1.0,0.2268950037694469,0.20881879240627785,0.235016448495648,0.2377835652114317,0.22712845247070113
EOS-5-05010,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4cccnn4)c(OC)c3)n12,GRDKMHZBMKOZHA-UHFFFAOYSA-N,5,1,0.388,5,966,405.418,1.519,4,0.492,0.81,1.0,0.21038653964772805,0.024629908847919952,0.10495339592899733,0.04304023027893907,0.0957525186758961
EOS-5-05012,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3ccc(-c4ccncc4)nc3)n12,ZCPIGRQLMQELLE-UHFFFAOYSA-N,5,1,0.314,60,84,495.547,4.196,6,0.351,0.73,1.0,0.1854139538071414,0.16888835583578918,0.5178020697690358,0.5087296963881845,0.3452085189500377
EOS-5-05013,COc1cc(-c2nnc3cncc(CNC(=O)C4CCC4)n23)ccc1-c1cnco1,RLTQCWNZQLNYLK-UHFFFAOYSA-N,5,1,0.404,5,966,404.43,2.871,5,0.526,0.91,1.0,0.2514906449181002,0.04207216777465561,0.019772462476869302,0.0405301213076554,0.08846634911932014
EOS-5-05014,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)ccc1-c1cncnc1,HPJXFZCYYNGLJQ-UHFFFAOYSA-N,5,1,0.311,60,663,492.507,1.917,6,0.332,0.65,0.994,0.12154752929888288,0.02010657254471935,0.13582002604345145,0.09102357617709547,0.09212442601603729
EOS-5-05015,COc1cc(-c2nnc3cncc(CNCc4cc(-c5ncco5)ncn4)n23)ccc1-c1cscn1,OHEZOQQSZLAZQC-UHFFFAOYSA-N,5,1,0.313,60,217,497.544,3.658,6,0.332,0.53,1.0,0.32006887807552603,0.14198821191145228,0.18289527791104104,0.11437701322733192,0.18983234528133783
EOS-5-05016,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ncnn5)n4)n23)ccc1-c1cccnn1,FVIQZNBSBNCKEC-UHFFFAOYSA-N,5,1,0.291,60,663,492.507,1.917,6,0.332,0.64,1.0,0.11077890480433143,0.03837125625385512,0.08549790967034473,0.05494825577410733,0.07239908162565965
EOS-5-05017,Fc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)ncn4)n23)ccc1-c1nncs1,VDHKGMTULQIWCB-UHFFFAOYSA-N,5,1,0.3,60,869,497.523,2.986,6,0.351,0.54,1.0,0.25637379206360084,0.3008018641628401,0.24931464601466657,0.24631622232883285,0.26320163114248507
EOS-5-05018,COc1cc(-c2nnc3cncc(CNCc4cc(-c5nccs5)ncn4)n23)ccc1-c1cocn1,IUSVYLWDQVGHCC-UHFFFAOYSA-N,5,1,0.313,60,217,497.544,3.658,6,0.332,0.5,1.0,0.3072870262490576,0.16498183811938866,0.17331745596600645,0.10952813378109794,0.18877861352888767
EOS-5-05019,CCCCCCCCCC(=O)NCc1cncc2nnc(-c3ccc(-c4cnsc4)c(OC)c3)n12,YLODKXMBOATJLU-UHFFFAOYSA-N,5,1,0.392,5,701,492.649,5.68,4,0.241,0.76,1.0,0.12727023507641697,0.020115139469536015,0.005422863408950723,0.00660509903365088,0.039853334247138654
EOS-5-05020,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1ccnnc1,OWKAXMXBFZLXDF-UHFFFAOYSA-N,5,1,0.315,60,149,490.531,3.127,6,0.343,0.64,1.0,0.06953772873689261,0.015360496196285382,0.41447638955520527,0.2821431019121376,0.19537942910013023
EOS-5-05021,Cc1nccc(-c2ccc(-c3nnc4cncc(CNCc5cc(-n6nccn6)ncn5)n34)cc2F)n1,WOQAQOGMUWWGDP-UHFFFAOYSA-N,5,1,0.282,60,644,494.498,2.356,6,0.352,0.62,1.0,0.15210575011993696,0.12438318141319991,0.1419539442121856,0.12565965321088343,0.13602563223905148
EOS-5-05022,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncs5)ncn4)n23)ccc1-c1cnco1,DBQZHNFGSJJUBX-UHFFFAOYSA-N,5,1,0.327,60,149,497.544,3.658,6,0.332,0.59,1.0,0.30494825577410734,0.16889692276060586,0.24932321293948323,0.16158076896717155,0.221187290110342
EOS-5-05023,COc1cc(-c2nnc3cncc(CNCc4cc(-c5ccnnc5)no4)n23)ccc1-c1cncn1C,DDXMAOCOYGZVFR-UHFFFAOYSA-N,5,1,0.299,60,84,494.519,2.935,6,0.336,0.66,1.0,0.17109862243848947,0.08602905900897814,0.26342437118771844,0.15606366938523747,0.1691539305051059
EOS-5-05024,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-c1cnc(C)o1,VJIVEAZIPXWDBY-UHFFFAOYSA-N,5,1,0.302,60,84,494.519,3.029,6,0.336,0.66,1.0,0.17384003837982318,0.07565451305599342,0.18290384483585773,0.09288259886231238,0.13132024878349668
EOS-5-05025,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)c(C)c1F,IMFXMZJPQSKMCV-UHFFFAOYSA-N,5,1,0.474,62,504,498.493,4.657,5,0.367,0.82,1.0,0.304956822698924,0.34989034336234665,0.757556027688301,0.6379788910972517,0.5125955212117059
EOS-5-05026,COc1cc(-c2nnc3cncc(CC4CCOCC4)n23)ccc1-c1nccs1,WJGTWNAXIGWTFU-UHFFFAOYSA-N,5,1,0.444,5,743,407.499,3.893,5,0.5,0.83,1.0,0.11652731135631554,0.024638475772736618,0.03373654992803783,0.09889658008361318,0.06844972928517579
EOS-5-05027,CCc1ncc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)cn1,UBVZNEDJUGXRRA-UHFFFAOYSA-N,5,1,0.352,78,830,403.465,3.592,5,0.53,0.89,1.0,0.23220649715578096,0.17770372147214036,0.08294496607497773,0.2257299019943801,0.1796462716743198
EOS-5-05028,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5C)cc4)n23)c(F)c1F,XNCKIMMFRNCGKF-UHFFFAOYSA-N,5,1,0.365,62,504,498.493,4.657,5,0.367,0.85,1.0,0.3200774450003427,0.30081043108765676,0.7670824480844356,0.6147196902199986,0.5006725035981084
EOS-5-05029,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnco5)ncn4)n23)ccc1-c1cscn1,UCMWVBYFIQCIJB-UHFFFAOYSA-N,5,1,0.32,60,217,497.544,3.658,6,0.332,0.53,1.0,0.3177129737509424,0.13467205811801797,0.23866595846754848,0.15338222191762044,0.21110830306353232
EOS-5-05030,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccco5)nn4)n23)ccc1-c1cncs1,HODIBVIQWAWLJM-UHFFFAOYSA-N,5,1,0.32,60,217,496.556,4.263,6,0.33,0.65,1.0,0.25390651771640055,0.13468062504283462,0.2748697827427867,0.20263347268864368,0.2165225995476664
EOS-5-05031,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1cccnn1,HEUJBCXVPIBIGG-UHFFFAOYSA-N,5,1,0.287,60,84,491.519,2.522,6,0.338,0.67,1.0,0.08865910492769516,0.015369063121102049,0.2102923034747447,0.12977177712288396,0.11102306216160647
EOS-5-05032,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)ccc1-c1cc(C)n[nH]1,QPQRGVKKQUFFOL-UHFFFAOYSA-N,5,1,0.296,60,663,494.523,2.159,6,0.322,0.68,0.142,0.16839147419642245,0.08263655678157769,0.11585052429579878,0.0622729764923583,0.1072878829415393
EOS-5-05033,Cc1nccc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6cnnn6)nc5)n34)cc2F)n1,YTXPFDXUFKKQAH-UHFFFAOYSA-N,5,1,0.308,60,644,494.498,2.356,6,0.352,0.73,1.0,0.13821876499211844,0.14199677883626893,0.2314526077719142,0.19954937975464326,0.1778043828387362
EOS-5-05034,c1csc(-c2nc(-c3nnc4cncc(CNCc5cc(-n6nccn6)ncn5)n34)cs2)c1,ZKYJKEZUYCZQIY-UHFFFAOYSA-N,5,1,0.288,60,869,473.551,2.637,6,0.372,0.62,1.0,0.005191556438900692,0.00023987389486669866,0.013193064217668426,0.011411143855801522,0.007508909601809334
EOS-5-05035,CCc1nccc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)n1,YKADQDWVCUMABS-UHFFFAOYSA-N,5,1,0.33,78,830,403.465,3.592,5,0.53,0.94,1.0,0.22959358508669728,0.1734116921389898,0.059608662874374614,0.18047083818792406,0.16077119457199643
EOS-5-05036,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ncnn5)cnn4)n23)ccc1-c1cncnc1,KKHKBTCITRXVJT-UHFFFAOYSA-N,5,1,0.287,60,644,493.495,1.312,6,0.324,0.57,1.0,0.1436844630251525,0.03238297580700432,0.08789664861901172,0.06089370159687479,0.08121444726201082
EOS-5-05037,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cnnn5)n4)n23)ccc1-c1cncnc1,ZJINHJFIOCOTOP-UHFFFAOYSA-N,5,1,0.296,60,644,492.507,1.917,6,0.332,0.61,1.0,0.10838016585566446,0.02678020697690357,0.14491810019875265,0.09890514700842985,0.09474590500993763
EOS-5-05038,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1ccnnc1,XWRVXTLIHVXRSF-UHFFFAOYSA-N,5,1,0.304,60,663,492.507,1.917,6,0.332,0.62,1.0,0.12155609622369955,0.01262764717976835,0.169847851415256,0.1072236310054143,0.10281380645603455
EOS-5-05039,COc1cc(-c2nnc3cncc(CNCc4cccc(-c5cocn5)n4)n23)ccc1-c1nccs1,PAQNUABJNDAQHO-UHFFFAOYSA-N,5,1,0.333,60,217,496.556,4.263,6,0.33,0.67,1.0,0.24599924611061613,0.13840723733808513,0.2421783976423823,0.15607223631005415,0.19566427935028444
EOS-5-05040,COc1cc(-c2nnc3cncc(CNC4CCC(CNC(C)=O)CC4)n23)ccc1-c1nncs1,NGWSQBWIXDNHOS-UHFFFAOYSA-N,5,1,0.345,5,741,492.609,3.103,5,0.385,0.77,1.0,0.13573435679528476,0.007007744500034268,0.0074189568912343224,0.013715646631485163,0.04096917620450963
EOS-5-05041,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3cccc(-c4cncnc4)n3)n12,KECFNKPPWBPUDV-UHFFFAOYSA-N,5,1,0.319,60,869,496.535,3.591,6,0.353,0.66,1.0,0.20766225755602769,0.23385991364539785,0.31872387087930915,0.31602528956205883,0.26906783291069836
EOS-5-05042,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)ccc1-c1ccnnc1,ZGCKMPMNTCRQHN-UHFFFAOYSA-N,5,1,0.312,60,663,492.507,1.917,6,0.332,0.62,1.0,0.11653587828113221,0.01684257418956891,0.13907545747378522,0.09289116578712905,0.09133626893290386
EOS-5-05043,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)nn4C)n23)ccc1-c1cnco1,MABGFRHHPSPTAB-UHFFFAOYSA-N,5,1,0.311,60,149,494.519,2.935,6,0.336,0.66,1.0,0.14936433417860326,0.11437701322733192,0.2239736824069632,0.12978034404770064,0.15437384346514976
EOS-5-05044,COc1cc(-c2nnc3cncc(CNC4CCCC4)n23)ccc1-c1cscn1,JCOOKWVSQPVCIT-UHFFFAOYSA-N,5,1,0.356,5,741,406.515,3.956,5,0.522,0.82,1.0,0.17384860530463986,0.006313823589884175,0.02569220752518676,0.08900178192036187,0.07371410458501816
EOS-5-05046,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1csc(C)n1,UGHOJONBMMOOHY-UHFFFAOYSA-N,5,1,0.36,5,741,406.515,3.874,5,0.524,0.89,1.0,0.15758858200260434,0.013946953601535193,0.04195223082722226,0.07864436981701049,0.07303303406209308
EOS-5-05048,COc1cc(-c2nnc3cncc(CNCc4ncccc4-n4cccc4)n23)ccc1-c1cncs1,APBPEBKJKFITTO-UHFFFAOYSA-N,5,1,0.315,60,149,494.584,4.399,6,0.335,0.68,1.0,0.16584709752587212,0.08603762593379481,0.35939962990884794,0.2792731820985539,0.22263938386676718
EOS-5-05049,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)nn4C)n23)ccc1-c1cocn1,FIAXWRYMTXPGBN-UHFFFAOYSA-N,5,1,0.304,60,217,494.519,2.935,6,0.336,0.65,1.0,0.14630594201905284,0.11730690151463231,0.20677129737509423,0.12130765540401617,0.14792294907819886
EOS-5-05050,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cnc(Cc2ccccc2F)cn1,AZHYXTVJBWLJJL-UHFFFAOYSA-N,5,1,0.297,52,878,494.578,4.578,6,0.338,0.67,0.766,0.1407802755123021,0.13117675279281749,0.09714036049619629,0.22913097114659722,0.14955708998697828
EOS-5-05051,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1cnn(C)c1,PYRFGSDKOKZTKL-UHFFFAOYSA-N,5,1,0.307,60,663,493.535,2.466,6,0.34,0.68,1.0,0.1382273319169351,0.038379823178671786,0.19957508052909328,0.1095367007059146,0.12142973408265369
EOS-5-05052,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1ncccn1,HRJOIUOWFXWNJR-UHFFFAOYSA-N,5,1,0.29,60,644,493.495,1.312,6,0.324,0.66,1.0,0.14937290110341991,0.01838462065656912,0.0577496401891577,0.031680487972037555,0.06429691248029608
EOS-5-05053,Fc1cnc(-c2ccc(-c3nnc4cncc(CNCc5cc(-c6ccnnc6)no5)n34)cc2F)nc1,SUTRFRWGIHBMLF-UHFFFAOYSA-N,5,1,0.307,60,84,498.457,3.261,6,0.35,0.64,1.0,0.31271845658282504,0.2801041738057707,0.4258961003358235,0.4211328901377562,0.35996290521554386
EOS-5-05054,COc1cc(-c2nnc3cncc(CNc4cccc(-c5cccnn5)n4)n23)ccc1-c1cscn1,RTQZPOUNUHYFDT-UHFFFAOYSA-N,5,1,0.306,81,217,493.556,4.388,6,0.346,0.66,1.0,0.16021862792132135,0.010734356795284764,0.27851072578987046,0.18047940511274074,0.15748577890480434
EOS-5-05055,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1cccnc1,RDZKMHVWUFWQKL-UHFFFAOYSA-N,5,1,0.304,60,644,492.507,1.917,6,0.332,0.68,1.0,0.1107874717291481,0.01685114111438558,0.13908402439860187,0.10307723939414708,0.09244996915907065
EOS-5-05056,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ccnn5)n4)n23)ccc1-c1ccncc1,ZTJIUCJSJLQXQE-UHFFFAOYSA-N,5,1,0.305,60,149,490.531,3.127,6,0.343,0.67,1.0,0.06384072373380852,0.01160818312658488,0.2706548557329861,0.20264203961346036,0.13718645055170997
EOS-5-05057,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnn(C)c5)ncn4)n23)ccc1-c1ncc[nH]1,XNWDKAQKSAVRDN-UHFFFAOYSA-N,5,1,0.294,60,84,493.535,2.67,6,0.328,0.69,1.0,0.1215646631485162,0.06832979233774245,0.21694880405729558,0.11438558015214859,0.13030720992392572
EOS-5-05059,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)cnn4)n23)ccc1-c1ncnn1C,KLHOVKXWWCKNGD-UHFFFAOYSA-N,5,1,0.293,60,84,494.523,1.861,6,0.333,0.63,1.0,0.18822390514700843,0.024647042697553287,0.09714892742101296,0.052249674456856965,0.09056738743060791
EOS-5-05060,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6ccnc6)nn5)n34)cc2F)n1,BQRHPXWSHZACES-UHFFFAOYSA-N,5,1,0.297,60,84,494.498,2.356,6,0.352,0.56,0.999,0.13023439106298404,0.1384158042629018,0.13909259132341856,0.1297889109725173,0.13438292440545543
EOS-5-05061,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1cccnn1,WCWVMBVCBGJRSI-UHFFFAOYSA-N,5,1,0.305,60,84,490.531,3.127,6,0.343,0.67,1.0,0.058477828798574466,0.018393187581385785,0.34050099376327875,0.22573846891919677,0.16077761976560895
EOS-5-05062,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccco5)nn4)n23)ccc1-c1cnsc1,ACHCQOMRXAQKOK-UHFFFAOYSA-N,5,1,0.32,60,217,496.556,4.263,6,0.33,0.54,1.0,0.2460078130354328,0.11731546843944897,0.30408299636762387,0.23475944075114796,0.2255414296484134
EOS-5-05063,COc1cc(-c2nnc3cncc(CNCC4CC4)n23)ccc1-c1nc(C)cs1,YUSBQNAPKRIWDD-UHFFFAOYSA-N,5,1,0.376,5,743,406.515,3.731,5,0.504,0.88,1.0,0.13823589884175178,0.022351106846686314,0.03635802892193818,0.06551127407305873,0.06561407717085875
EOS-5-05064,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5nccn5)nn4)n23)ccc1-c1ccnnc1,YXMGMRKYOOCQCJ-UHFFFAOYSA-N,5,1,0.308,60,84,492.507,1.917,6,0.332,0.56,1.0,0.10082413816736345,0.024655609622369953,0.09715749434582963,0.0655198409978754,0.0720392707833596
EOS-5-05065,CCc1nnccc1-c1ccc(-c2nnc3cncc(CNC4CCC4)n23)cc1F,WAOPRUPZAOLDDP-UHFFFAOYSA-N,5,1,0.35,78,830,403.465,3.592,5,0.53,0.78,1.0,0.21859365362209582,0.16890548968542252,0.09034678911657872,0.2492289767664999,0.18176872729764926
EOS-5-05066,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1ccccn1,PHKGNIHAPNQTAB-UHFFFAOYSA-N,5,1,0.299,60,644,492.507,1.917,6,0.332,0.74,1.0,0.10342848331163046,0.020123706394352684,0.11007641696936468,0.07666541018436022,0.07757350421492701
EOS-5-05067,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCC(F)F)n34)cc2F)n1,HDXZKTMEJHYVTN-UHFFFAOYSA-N,5,1,0.353,78,75,400.368,2.446,4,0.531,0.65,1.0,0.344647385374546,0.42095298471660614,0.5446593790692893,0.5189072030703858,0.45729173805770684
EOS-5-05068,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cc(C)ccc5F)cc4)n23)c(F)c1,SYKDVLNSMYFHOR-UHFFFAOYSA-N,5,1,0.418,62,504,498.493,4.657,5,0.367,0.8,1.0,0.2970752518675896,0.31097937084504146,0.8104910561304914,0.6753992186964567,0.5234862243848948
EOS-5-05069,Fc1cccc(-c2nccnc2CNCc2cncc3nnc(-c4ccc(-c5csnn5)cc4)n23)c1,NGWHUKDIAUEFSI-UHFFFAOYSA-N,5,1,0.34,3,84,495.547,4.196,6,0.351,0.63,1.0,0.15759714892742102,0.19034850250154203,0.3519806730176136,0.40800836131862106,0.27698367144129943
EOS-5-05070,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)ccc1-c1cn(C)cn1,PZXUWAVHMQSBAU-UHFFFAOYSA-N,5,1,0.287,60,644,493.535,2.466,6,0.34,0.7,1.0,0.13300150777876774,0.03239154273182099,0.16362826399835514,0.08719416078404496,0.10405386882324721
EOS-5-05071,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3cc(-c4cncnc4)ncn3)n12,QYIDMFFCFSMGMI-UHFFFAOYSA-N,5,1,0.29,60,869,497.523,2.986,6,0.351,0.53,1.0,0.24067061887464875,0.28548420259063806,0.2493317798642999,0.24360907408676583,0.2547739188540881
EOS-5-05072,COc1cc(-c2nnc3cncc(CNCC4CCC4)n23)ccc1-c1ncsn1,DYRYWZCXPBLIKH-UHFFFAOYSA-N,5,1,0.4,5,75,407.503,3.208,5,0.503,0.74,1.0,0.1245459529847166,0.00582550887533411,0.009946199712151327,0.03690631211020492,0.04430599342060174
EOS-5-05073,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6ccnc6)nc5)n34)cc2F)n1,RIMATJVOKDZAMG-UHFFFAOYSA-N,5,1,0.308,60,84,493.51,2.961,6,0.357,0.54,1.0,0.09130628469604551,0.13118531971763417,0.2894678226303886,0.2463247892536495,0.18957105407442945
EOS-5-05074,COc1cc(-c2nnc3cncc(CNCc4cccnc4-n4cccc4)n23)ccc1-c1cnsc1,MTJYQYVNRXOIMJ-UHFFFAOYSA-N,5,1,0.346,60,149,494.584,4.399,6,0.335,0.56,1.0,0.16022719484613804,0.0756630799808101,0.3931961483106024,0.3066959084367076,0.23394558289356454
EOS-5-05075,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4cccnc4)c(OC)c3)n12,CHAHSNLOWMYFHL-UHFFFAOYSA-N,5,1,0.41,5,966,404.43,2.124,4,0.503,0.9,1.0,0.23221506408059764,0.03240010965663765,0.2067798642999109,0.10723219793023096,0.1446568089918443
EOS-5-05076,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1cnc(C)s1,AOENYJZQQADZMX-UHFFFAOYSA-N,5,1,0.36,5,741,406.515,3.874,5,0.524,0.89,1.0,0.14631450894386952,0.012636214104585018,0.04507059146048934,0.08532657117401138,0.0723369714207388
EOS-5-05078,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cccnn4)nn3)n12,ULTJAIASCKHBTP-UHFFFAOYSA-N,5,1,0.318,81,84,497.523,2.986,6,0.351,0.58,1.0,0.23792920293331507,0.28011274073058734,0.15708313343842095,0.1804879720375574,0.2139032622849702
EOS-5-05079,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccc5)ncn4)n23)ccc1-c1nccs1,VFILRZTZOGJXLH-UHFFFAOYSA-N,5,1,0.301,60,217,495.572,3.794,6,0.34,0.65,1.0,0.20767082448084437,0.07910698375711055,0.2277259954766637,0.1483106024261531,0.16570360153519292
EOS-5-05080,COCC1(OC)CCC(NCc2cncc3nnc(-c4ccc(-c5csc(C)n5)cc4F)n23)CC1,KKQVPXWCJKXKKB-UHFFFAOYSA-N,5,1,0.306,78,830,496.612,4.426,5,0.386,0.67,0.96,0.21306798711534508,0.18178157768487424,0.09972757179082996,0.29709238571722296,0.19791738057706806
EOS-5-05081,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(C)s1,IRSUDZYFMFMOLD-UHFFFAOYSA-N,5,1,0.36,5,741,405.527,4.479,5,0.512,0.92,1.0,0.18252690014392434,0.018401754506202454,0.11284353368514838,0.1886351175382085,0.12560182646837093
EOS-5-05082,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1ccncc1,KYJOGJLSZVBKKI-UHFFFAOYSA-N,5,1,0.295,60,644,492.507,1.917,6,0.332,0.65,1.0,0.11079603865396477,0.010742923720101433,0.14789939003495306,0.10724076485504763,0.09416977931601672
EOS-5-05083,CNC(=O)c1ccc(-c2nnc3cncc(CNc4ccc(F)c(C#N)c4)n23)cc1,ZKVCNJZORODVPU-UHFFFAOYSA-N,5,1,0.452,0,678,401.405,2.774,4,0.532,0.83,1.0,0.2945223082722226,0.32575731615379344,0.6973733808512097,0.5425433486395723,0.4650490884791995
EOS-5-05084,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cnccn4)nn3)n12,CIPYVEMRVCCWSG-UHFFFAOYSA-N,5,1,0.307,60,84,497.523,2.986,6,0.351,0.6,1.0,0.24878349667603317,0.2445171681173326,0.16666952230827223,0.18318655335480777,0.21078918511411143
EOS-5-05085,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,DMGVRXHBSFFBFM-UHFFFAOYSA-N,5,1,0.34,78,75,407.503,2.682,5,0.48,0.63,0.986,0.09131485162086217,0.03240867658145432,0.17647865122335687,0.22574703584401343,0.1314873038174217
EOS-5-05086,COc1cc(-c2nnc3cncc(CNCc4cc(-c5nccs5)ncn4)n23)ccc1-c1cnco1,KXAADRBOJIQWSM-UHFFFAOYSA-N,5,1,0.308,60,149,497.544,3.658,6,0.332,0.51,1.0,0.2806010554451374,0.15357926118840382,0.18932047152354192,0.12131622232883284,0.186204252621479
EOS-5-05087,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccc5)ncn4)n23)ccc1-c1ccsn1,OYGDPMXFOXUTLF-UHFFFAOYSA-N,5,1,0.301,60,217,495.572,3.794,6,0.34,0.62,1.0,0.2048608731409773,0.07215064080597629,0.2634329381125351,0.18579089849907476,0.18155883763964087
EOS-5-05088,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3ccnc(-c4cncnc4)c3)n12,VCFWTLFCWBFPFM-UHFFFAOYSA-N,5,1,0.29,60,869,496.535,3.591,6,0.331,0.59,1.0,0.19362963470632583,0.2088273593310945,0.32962956617092726,0.3033291069837571,0.25885391679802616
EOS-5-05089,Cc1cnnc(CNCc2cncc3nnc(-c4ccc(C(F)(F)F)cc4)n23)n1,ZEPQUEIFILZZKN-UHFFFAOYSA-N,5,1,0.389,66,455,400.368,2.593,4,0.55,0.77,1.0,0.3628863683092317,0.3351209649784114,0.7384260845726818,0.6289664861901172,0.5163499760126105
EOS-5-05090,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ncnn5)ncn4)n23)ccc1-c1cccnc1,NACXSHGUXWUJOT-UHFFFAOYSA-N,5,1,0.301,60,644,492.507,1.917,6,0.332,0.61,1.0,0.09604379411966281,0.02013227331916935,0.10742067027619766,0.08016928243437736,0.0759415050373518
EOS-5-05091,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5ccnn5)c4)n23)ccc1-c1ccnnc1,YNPILWGBXSMHPM-UHFFFAOYSA-N,5,1,0.298,60,84,491.519,2.522,6,0.338,0.6,1.0,0.07546604071002673,0.011616750051401548,0.28232300733328763,0.19408368172160922,0.14087236995408128
EOS-5-05092,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccco5)nn4)n23)ccc1-c1nccs1,HPWPFLNCEFGYLU-UHFFFAOYSA-N,5,1,0.326,60,217,496.556,4.263,6,0.33,0.71,1.0,0.2322236310054143,0.11143855801521486,0.21695737098211226,0.15093208142005346,0.17788791035569873
EOS-5-05093,COc1cc(-c2nnc3cncc(CNCc4ccccc4-n4cccn4)n23)ccc1-c1ccsn1,CBWSOESSRWCJOA-UHFFFAOYSA-N,5,1,0.33,60,217,494.584,4.399,6,0.335,0.74,1.0,0.15211431704475362,0.06467171544102529,0.3969227606058529,0.30989993831814133,0.2309021828524433
EOS-5-05094,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnn5)nc4)n23)ccc1-c1ccncc1,SKJMFRPZHMMQHQ-UHFFFAOYSA-N,5,1,0.312,60,149,490.531,3.127,6,0.343,0.66,1.0,0.05489685422520732,0.011625316976218217,0.3442533068329792,0.252321636625317,0.16577427866493044
EOS-5-05095,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1nc(C)cs1,WZBSVINJBRJYDK-UHFFFAOYSA-N,5,1,0.36,5,741,406.515,3.874,5,0.524,0.91,1.0,0.13574292372010144,0.011633883901034885,0.030027071482420672,0.05790384483585772,0.058826930984853684
EOS-5-05097,CCOCCC1CCC(NCc2cncc3nnc(-c4ccc(-c5nccs5)c(OC)c4)n23)CC1,CEJAXJBOYFREOU-UHFFFAOYSA-N,5,1,0.375,5,741,492.649,4.998,5,0.312,0.82,1.0,0.11654444520594888,0.005834075800150778,0.021460146665752862,0.08720272770886163,0.05776034884517854
EOS-5-05098,COc1cc(-c2nnc3cncc(CNCc4ccccc4-n4cccn4)n23)ccc1-c1nccs1,PYQHSUQZQQEIAG-UHFFFAOYSA-N,5,1,0.33,60,217,494.584,4.399,6,0.335,0.8,1.0,0.14078884243711878,0.07911555068192722,0.35198923994243025,0.2614968131039682,0.2083476115413611
EOS-5-05099,COc1cc(-c2nnc3cncc(CNCc4ccnc(-c5cncs5)c4)n23)ccc1-c1nnco1,HKISKJFWIIBERB-UHFFFAOYSA-N,5,1,0.306,60,149,497.544,3.658,6,0.332,0.67,1.0,0.27499828661503667,0.13842437118771847,0.26010040435885134,0.1666438215338222,0.21004172092385714
EOS-5-05100,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cnnn5)nn4)n23)ccc1-c1cccnc1,MDTULKVMDWVSCP-UHFFFAOYSA-N,5,1,0.309,60,84,492.507,1.917,6,0.332,0.63,1.0,0.08866767185251183,0.02235967377150298,0.11285210060996505,0.08901034884517854,0.07822244876978961
EOS-5-05101,Cc1nc(-c2ccc(-c3nnc4cncc(CCC5CCCCC5)n34)cc2)cs1,MKMBLIHHXLDSKV-UHFFFAOYSA-N,5,1,0.419,5,701,403.555,5.736,5,0.427,0.72,1.0,0.18823247207182509,0.19035706942635872,0.004737509423617298,0.07865293674182715,0.11549499691590706
EOS-5-05102,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1cncnc1,RKHDSYNUIVWRAQ-UHFFFAOYSA-N,5,1,0.292,60,644,493.495,1.312,6,0.324,0.62,1.0,0.12727880200123365,0.016859708039202247,0.10220341306284696,0.06725892673565896,0.07840021245973545
EOS-5-05103,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cncnc4)nn3)n12,IISXDFUVEUGSQB-UHFFFAOYSA-N,5,1,0.307,60,84,497.523,2.986,6,0.351,0.61,1.0,0.22960215201151396,0.25445480090466727,0.21030087039956138,0.220084298540196,0.22861053046398466
EOS-5-05104,COCC(=O)NCc1cncc2nnc(-c3ccc(-c4ccncc4)c(OC)c3)n12,FUKHUQZRTMQZJG-UHFFFAOYSA-N,5,1,0.404,5,966,404.43,2.124,4,0.503,0.87,1.0,0.22114659721746283,0.02014084024398602,0.22070111712699608,0.11439414707696526,0.14409567541635254
EOS-5-05105,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)cn4)n23)ccc1-c1cscn1,YFPGRJHNCZFHFK-UHFFFAOYSA-N,5,1,0.295,60,217,495.572,3.794,6,0.34,0.66,1.0,0.20767939140566102,0.04208073469947228,0.3519978068672469,0.23476800767596465,0.2091314851620862
EOS-5-05106,N#Cc1cc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3ccc(-n4cnnn4)nn3)n12,DFEJOZMYGAGKPO-UHFFFAOYSA-N,5,1,0.274,60,644,493.52,1.842,6,0.345,0.63,0.958,0.10343705023644713,0.060559591529024744,0.07618566239462682,0.08533513809882805,0.08137936056473169
EOS-5-05107,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5cn[nH]c5)nc4)n23)ccc1-c1cnsc1,KNUPIUICSOHTAH-UHFFFAOYSA-N,5,1,0.321,60,149,495.572,3.998,6,0.325,0.53,1.0,0.1795541772325406,0.09542697553286272,0.45508361318621066,0.334744020286478,0.266202196559523
EOS-5-05108,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)cn4)n23)ccc1-c1cncs1,PHDVTOZFQDGUMG-UHFFFAOYSA-N,5,1,0.303,60,149,495.572,3.794,6,0.34,0.69,1.0,0.19933520663422657,0.05682441230895758,0.36684428757453225,0.2463333561784662,0.21733431567404565
EOS-5-05109,COc1cc(-c2nnc3cncc(CNC4CCCC4)n23)ccc1-c1nccs1,ZZGORDCBZMIYTA-UHFFFAOYSA-N,5,1,0.356,5,741,406.515,3.956,5,0.522,0.91,1.0,0.14632307586868618,0.005842642724967446,0.016397094099102186,0.060902268521691456,0.05736627030361181
EOS-5-05110,COCc1ccc(-c2nnc3cncc(OCCc4cccc(Cl)c4)n23)cn1,JGDQKTJVQGKNFH-UHFFFAOYSA-N,5,1,0.691,90,636,395.85,3.608,4,0.476,0.81,1.0,0.6561750394078542,0.7986429991090398,0.6479079569597698,0.6321276814474677,0.6837134192310328
EOS-5-05111,O=C(c1ccc(-c2cncc3nnc(-c4ccc(Cl)cn4)n23)cc1)N1CCCC1,NALICUYESFNHQR-UHFFFAOYSA-N,5,1,0.366,0,825,404.861,3.743,5,0.52,0.92,1.0,0.1357514906449181,0.1420053457610856,0.009954766636967994,0.1167500514015489,0.10111541361113013
EOS-5-05112,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)cn4)n23)ccc1-c1cscn1,QIHVKQIEQXPTBQ-UHFFFAOYSA-N,5,1,0.312,60,217,495.572,3.794,6,0.34,0.73,1.0,0.19934377355904326,0.05296929614145706,0.2966811733260229,0.19955794667945995,0.18713804742649578
EOS-5-05113,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4nccs4)nc3)n12,OIRGRSAZHJZRQO-UHFFFAOYSA-N,5,1,0.34,78,75,407.503,2.682,5,0.48,0.54,0.986,0.07737646494414364,0.03838839010348845,0.13278733465835105,0.177480981426907,0.10650829278322253
EOS-5-05114,COc1cc(-c2nnc3cncc(CNCc4ccnc(-c5ncco5)c4)n23)ccc1-c1ncns1,IJNPGUCDATVNSU-UHFFFAOYSA-N,5,1,0.306,60,217,497.544,3.658,6,0.332,0.6,1.0,0.28886813789322185,0.1048248920567473,0.19958364745390994,0.12356075663079981,0.17920935850866973
EOS-5-05115,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1cnnnc1,MRYCMDADMYLVHT-UHFFFAOYSA-N,5,1,0.293,60,644,493.495,1.312,6,0.324,0.59,0.947,0.1302429579878007,0.011642450825851552,0.12169316702076623,0.07279316016722637,0.0840929340004112
EOS-5-05116,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ccn4)n23)ccc1-c1cscn1,IRDLRWPCZLQDCG-UHFFFAOYSA-N,5,1,0.302,60,217,495.572,3.794,6,0.34,0.69,1.0,0.20768795833047768,0.03241724350627099,0.3520063737920636,0.23779213213624836,0.20747592694126515
EOS-5-05117,COc1cc(-c2nnc3cncc(CNCc4cc(-c5ncco5)ncn4)n23)ccc1-c1cncs1,JPKHDXCPUPPARB-UHFFFAOYSA-N,5,1,0.308,60,149,497.544,3.658,6,0.332,0.57,1.0,0.270012336371736,0.14201391268590227,0.19277294222465904,0.12356932355561648,0.18209212870947844
EOS-5-05118,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)cn4)n23)ccc1-c1cccs1,PVZAALRESAILAO-UHFFFAOYSA-N,5,1,0.308,60,217,495.572,3.794,6,0.34,0.74,1.0,0.19363820163114248,0.05683297923377424,0.31873243780412586,0.2257556027688301,0.19873980535946817
EOS-5-05119,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4cnsc4)nc3)n12,MICZEORHUMEMCI-UHFFFAOYSA-N,5,1,0.337,78,75,407.503,2.682,5,0.48,0.59,0.815,0.0797323692687273,0.029470221369337263,0.21363340415324514,0.2703121787403194,0.14828704338290727
EOS-5-05120,Cc1cnc(C)c(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)c1,RJGPHADEFWCHHZ-UHFFFAOYSA-N,5,1,0.327,78,830,402.477,4.251,5,0.54,0.94,1.0,0.2539150846412172,0.1689140566102392,0.260108971283668,0.4176718525118224,0.2751524912617367
EOS-5-05121,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1nnc(C)s1,UZJRPKHCUNNQLE-UHFFFAOYSA-N,5,1,0.36,5,741,407.503,3.269,5,0.525,0.91,1.0,0.1034456171612638,0.006322390514700843,0.010485915975601398,0.023387704749503118,0.03591040710026729
EOS-5-05122,COc1cc(-c2nnc3cncc(CNCc4ccccc4-n4cccn4)n23)ccc1-c1ncsn1,WRGLZDIIECTGFT-UHFFFAOYSA-N,5,1,0.343,60,84,495.572,3.794,6,0.34,0.64,1.0,0.18542252073195806,0.07215920773079296,0.2562966897402508,0.18579946542389145,0.17491947090672333
EOS-5-05123,Cc1csc(-c2ccc(-c3nnc4cncc(CNCc5cc(-c6ncccn6)ncn5)n34)cn2)n1,PKDZBUKBTLVYCY-UHFFFAOYSA-N,5,1,0.29,60,869,493.56,3.155,6,0.353,0.63,1.0,0.10345418408608047,0.05684154615859091,0.04507915838530601,0.031689054896854224,0.0592659858817079
EOS-5-05124,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1cccnn1,IAUJXBPEKIHXOY-UHFFFAOYSA-N,5,1,0.29,60,644,493.495,1.312,6,0.324,0.7,1.0,0.12157323007333287,0.015377630045918717,0.07619422931944349,0.049713864711123296,0.0657147385374546
EOS-5-05125,COc1cc(-c2nnc3cncc(CNCc4ccccc4-n4ccnc4)n23)ccc1-c1nccs1,LMSYLZGZHHULIS-UHFFFAOYSA-N,5,1,0.33,60,217,494.584,4.399,6,0.335,0.76,1.0,0.13576005756973478,0.07216777465560963,0.41834007264752243,0.30670447536152423,0.23324309505859775
EOS-5-05126,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1nccn1C,BHGBTIJPPUTXPU-UHFFFAOYSA-N,5,1,0.316,60,663,493.535,2.466,6,0.34,0.75,1.0,0.10838873278048111,0.03242581043108766,0.12994311561921731,0.06726749366047563,0.08450628812281542
EOS-5-05127,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ncnn5)ncn4)n23)ccc1-c1ccncc1,GWYAXIPPAUTELR-UHFFFAOYSA-N,5,1,0.295,60,644,492.507,1.917,6,0.332,0.6,1.0,0.08867623877732848,0.012644781029401687,0.11585909122061545,0.08363032006031115,0.0752026077719142
EOS-5-05128,COc1cc(-c2nnc3cncc(CNC4C=CCC4)n23)ccc1-c1cscn1,BDENWKBXLJWDDD-UHFFFAOYSA-N,5,1,0.348,5,743,404.499,3.732,5,0.494,0.58,1.0,0.22115516414227948,0.009003837982317867,0.38583715989308476,0.3160338564868755,0.2330075046261394
EOS-5-05129,COc1cc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ncc(C)s1,NBFSBEJISXWUBO-UHFFFAOYSA-N,5,1,0.352,5,741,406.515,3.874,5,0.524,0.91,1.0,0.13025152491261738,0.007016311424850936,0.030035638407237338,0.06091083544650812,0.057053577547803436
EOS-5-05130,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6cncn6)nc5)n34)cc2F)n1,QQMAMPFFIVSPCM-UHFFFAOYSA-N,5,1,0.314,60,663,494.498,2.356,6,0.352,0.67,1.0,0.09605236104447948,0.14964704269755327,0.18621924473990817,0.1615893358919882,0.1483769960934823
EOS-5-05131,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(C)c5)cc4)n23)c(F)c1F,PCTJIHSQSFEKIK-UHFFFAOYSA-N,5,1,0.388,62,504,498.493,4.657,5,0.367,0.84,1.0,0.2646837091357686,0.2908470975258721,0.783265369063121,0.6410115824823521,0.49495193955177846
EOS-5-05132,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5cccc(-n6ncnn6)n5)n34)cc2F)n1,DINPGIUAKPNDTR-UHFFFAOYSA-N,5,1,0.29,60,644,495.486,1.751,6,0.345,0.59,1.0,0.1330100747035844,0.157365841957371,0.06359228291412515,0.06552840792269207,0.10487415187444316
EOS-5-05133,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccc5)ncn4)n23)ccc1-c1cncs1,OGWTZIIULFCKMA-UHFFFAOYSA-N,5,1,0.304,60,149,495.572,3.794,6,0.34,0.64,1.0,0.17110718936330616,0.07912411760674389,0.28587828113220476,0.1995665136042766,0.18391902542663285
EOS-5-05134,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)cc1F,ZFYDWZDMOMYVGT-UHFFFAOYSA-N,5,1,0.295,60,663,495.526,3.079,6,0.342,0.72,1.0,0.12455451990953327,0.18612500856692482,0.1927815091494757,0.16393667329175518,0.16684942772942224
EOS-5-05135,COc1cc(-c2nnc3cncc(CNCc4ccccc4-n4cccn4)n23)ccc1-c1cncs1,STIJUOLCZVTPCV-UHFFFAOYSA-N,5,1,0.346,60,149,494.584,4.399,6,0.335,0.75,1.0,0.11915735727503256,0.08917312041669523,0.42590466726064014,0.32500342676992666,0.23980964293057366
EOS-5-05136,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5cc(-n6ccnc6)ncn5)n34)cc2F)n1,ZIYWUPKRYMVOOY-UHFFFAOYSA-N,5,1,0.28,60,644,494.498,2.356,6,0.352,0.56,1.0,0.1008327050921801,0.12072510451648276,0.16985641834007265,0.14604036734973613,0.1343636488246179
EOS-5-05137,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1ccnnc1,SJAPUKYUTKCUNB-UHFFFAOYSA-N,5,1,0.292,60,644,493.495,1.312,6,0.324,0.6,1.0,0.11655301213076553,0.0107514906449181,0.104961962853814,0.07077136591049277,0.0757594578849976
EOS-5-05138,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1cn(C)cn1,XEIAEXXBGQIHHO-UHFFFAOYSA-N,5,1,0.287,60,644,493.535,2.466,6,0.34,0.7,1.0,0.10084127201699677,0.03243437735590433,0.20678843122472756,0.1072493317798643,0.11182835309437324
EOS-5-05139,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)cn4)n23)ccc1-c1nccs1,LYHBRXVKGGNZDD-UHFFFAOYSA-N,5,1,0.295,60,217,495.572,3.794,6,0.34,0.7,1.0,0.1854310876567747,0.04568741004728943,0.29668974025083955,0.18864368446302515,0.17911298060448222
EOS-5-05140,COc1cc(-c2nnc3cncc(CNC(=O)CCCCC4CCS4)n23)ccc1-c1cscn1,MXTVECWYDCQKNV-UHFFFAOYSA-N,5,1,0.36,5,966,494.646,4.606,5,0.322,0.65,1.0,0.16302001233637173,0.012653347954218354,0.007024878349667603,0.018213282160235763,0.050227880200123365
EOS-5-05141,COc1cc(-c2nnc3cncc(CNC4CCCC4)n23)ccc1-c1cncs1,QSDAEIQPQYVEEZ-UHFFFAOYSA-N,5,1,0.364,5,741,406.515,3.956,5,0.522,0.85,1.0,0.12456308683434994,0.007024878349667603,0.028904804331437186,0.09681481735316291,0.06432689671715441
EOS-5-05142,COc1cc(-c2nnc3cncc(CNCc4csc(-c5cncnn5)c4)n23)ccc1-c1cnco1,KURAZZBVXXQUFZ-UHFFFAOYSA-N,5,1,0.306,60,149,497.544,3.658,6,0.332,0.55,1.0,0.24879206360084985,0.1457319580563361,0.3040915632924405,0.20847611541361113,0.2267729250908094
EOS-5-05143,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)cn4)n23)ccc1-c1nccs1,PKCMOXWLDOWNTD-UHFFFAOYSA-N,5,1,0.312,60,217,495.572,3.794,6,0.34,0.73,1.0,0.17956274415735726,0.05685011308340758,0.24934034678911657,0.1588564868754712,0.16115242272633815
EOS-5-05144,Fc1nc(-c2ccc(-c3nnc4cncc(CNCc5cc(-c6cncnc6)ncn5)n34)cn2)cs1,HMLDAGNTQJMJNM-UHFFFAOYSA-N,5,1,0.305,94,869,497.523,2.986,6,0.351,0.58,1.0,0.21860222054691247,0.21877355904324583,0.19613117675279282,0.1693852374751559,0.20072304845452674
EOS-5-05145,COc1cc(-c2nnc3cncc(CNCc4ccccc4-n4ccnc4)n23)ccc1-c1cnsc1,BKWAHFWMGJSWPY-UHFFFAOYSA-N,5,1,0.346,60,149,494.584,4.399,6,0.335,0.61,1.0,0.13301864162840107,0.05297786306627373,0.5242615310808032,0.4114179973956549,0.2804190082927832
EOS-5-05146,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ncco5)nn4)n23)ccc1-c1cnsc1,GOLZVEMICMWKGA-UHFFFAOYSA-N,5,1,0.32,60,217,497.544,3.658,6,0.332,0.52,1.0,0.2563823589884175,0.12439174833801658,0.17967411417997395,0.1256682201357001,0.17152911041052704
EOS-5-05147,Cn1nc(-c2cccs2)cc1CNCc1cncc2nnc(-c3ccc(-c4cnccn4)cc3F)n12,YIDGAJNWVIHISL-UHFFFAOYSA-N,5,1,0.302,60,869,497.563,4.139,6,0.354,0.7,1.0,0.21039510657254473,0.24452573504214928,0.32229627852785964,0.3250119936947433,0.27555727845932426
EOS-5-05148,CCn1nccc1-c1ccc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)c(F)c1,JIUFBGPZYYUIBY-UHFFFAOYSA-N,5,1,0.256,60,644,495.526,3.079,6,0.342,0.7,1.0,0.13026009183743403,0.14965560962236996,0.18932903844835858,0.1693938043999726,0.1596596360770338
EOS-5-05149,COc1cc(-c2nnc3cncc(CNCc4ncccc4-n4ccnc4)n23)ccc1-c1cncs1,KNRJGWXRHIGUCA-UHFFFAOYSA-N,5,1,0.303,60,149,495.572,3.794,6,0.34,0.65,1.0,0.1738571722294565,0.05685868000822425,0.28947638955520527,0.19957508052909328,0.17994183058049484
EOS-5-05150,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ncnn5)ncn4)n23)ccc1-c1cncnc1,ROTZZWJPTQPFHH-UHFFFAOYSA-N,5,1,0.29,60,644,493.495,1.312,6,0.324,0.61,1.0,0.10346275101089712,0.020149407168802688,0.07843019669659379,0.05092180111027346,0.06324103899664177
EOS-5-05151,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5ccnc5)c4)n23)ccc1-c1ccsc1,RFCVNVAVDBRBAG-UHFFFAOYSA-N,5,1,0.306,60,149,494.584,4.399,6,0.335,0.68,1.0,0.1272873689260503,0.060568158453841406,0.5034781714755672,0.3859999314646015,0.26933340758001506
EOS-5-05152,COc1cc(-c2nnc3cncc(CNCc4cccnc4-n4cccn4)n23)ccc1-c1cscn1,SHLFECJNWPAMPO-UHFFFAOYSA-N,5,1,0.312,60,217,495.572,3.794,6,0.34,0.73,1.0,0.17386573915427317,0.05686724693304092,0.21696593790692892,0.15094064834487012,0.14965989308477828
EOS-5-05153,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnco5)ncn4)n23)ccc1-c1cnsc1,OMHAOLFGDWGAFD-UHFFFAOYSA-N,5,1,0.327,60,149,497.544,3.658,6,0.332,0.46,1.0,0.25392365156603386,0.12073367144129943,0.2785192927146871,0.1886522513878418,0.21045721677746557
EOS-5-05154,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cccn5)n4)n23)ccc1-c1cscn1,UOHGWHWEQTUBFM-UHFFFAOYSA-N,5,1,0.307,60,217,495.572,3.794,6,0.34,0.71,1.0,0.16840004112123913,0.06468028236584196,0.23146117469673086,0.15339078884243712,0.15448307175656228
EOS-5-05155,COc1cc(-c2nnc3cncc(CNCc4cncc(-n5ccnc5)c4)n23)ccc1-c1cncs1,HBAFUXZRZYOJJB-UHFFFAOYSA-N,5,1,0.306,60,149,495.572,3.794,6,0.34,0.64,1.0,0.16585566445068878,0.06833835926255911,0.4183486395723391,0.2939997258584059,0.2366355972859982
EOS-5-05156,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccno5)nn4)n23)ccc1-c1ccsn1,ADUSNZKKXVZGNR-UHFFFAOYSA-N,5,1,0.32,60,217,497.544,3.658,6,0.332,0.57,1.0,0.2620193955177849,0.10483345898156397,0.18291241176067438,0.13211911452265096,0.17047109519566855
EOS-5-05157,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nc4)n23)ccc1-c1cscn1,MQXUORNARIBNJR-UHFFFAOYSA-N,5,1,0.31,60,217,495.572,3.794,6,0.34,0.75,1.0,0.16840860804605579,0.060576725378658075,0.30028784867384006,0.1966965937906929,0.1814924439723117
EOS-5-05158,COc1cc(-c2nnc3cncc(CNCc4ccccc4-n4cccn4)n23)ccc1-c1cnsc1,UYVCESFOOGLVFW-UHFFFAOYSA-N,5,1,0.346,60,149,494.584,4.399,6,0.335,0.57,1.0,0.11916592419984923,0.06468884929065863,0.45852751696251115,0.36386299773833186,0.2515613220478377
EOS-5-05159,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1cncn1C,SDFQMBBLCZBKHI-UHFFFAOYSA-N,5,1,0.392,5,966,403.446,2.227,5,0.53,0.91,1.0,0.2269035706942636,0.0529864299910904,0.035013021725721336,0.04304879720375574,0.08948795490370777
EOS-5-05160,CCC(CC)C(=O)NCc1cncc2nnc(-c3ccc(-c4cscn4)nc3)n12,ZKUQDQYLZBFUMK-UHFFFAOYSA-N,5,1,0.393,78,634,407.503,3.362,4,0.504,0.78,1.0,0.06031115070934138,0.04569597697210609,0.024535672674936605,0.016517031046535537,0.036764957850729904
EOS-5-05161,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccno5)nn4)n23)ccc1-c1cnsc1,MDZOUGIZEFJVBW-UHFFFAOYSA-N,5,1,0.33,60,149,497.544,3.658,6,0.332,0.55,1.0,0.25149921184291685,0.11732403536426564,0.22773456240148038,0.1666523884586389,0.19080254951682546
EOS-5-05162,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5cccc(-n6cnnn6)n5)n34)cc2F)n1,LEFBOIVVSWEOFH-UHFFFAOYSA-N,5,1,0.298,60,644,495.486,1.751,6,0.345,0.63,0.998,0.12158179699814954,0.1496641765471866,0.0829535329997944,0.08534370502364472,0.10988580289219382
EOS-5-05163,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ccn4)n23)ccc1-c1nccs1,UBDSFECCIVUFJE-UHFFFAOYSA-N,5,1,0.302,60,217,495.572,3.794,6,0.34,0.7,1.0,0.17957131108217395,0.03541566719210472,0.2966983071756562,0.19135083270509218,0.17575902953875677
EOS-5-05164,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3cc(-c4cncnc4)ncn3)n12,PFWZZZKSXJBRKC-UHFFFAOYSA-N,5,1,0.292,60,869,497.523,2.986,6,0.328,0.53,1.0,0.19655095606880954,0.2495202522102666,0.18933760537317523,0.17748954835172367,0.20322459050099376
EOS-5-05165,O=C(c1ccc(-c2cncc3nnc(-c4ccc(F)cc4)n23)cc1)N1CCOCC1,JBNXJERXYLKVPX-UHFFFAOYSA-N,5,1,0.533,0,901,403.417,3.07,5,0.526,0.91,1.0,0.19109382496059216,0.1207422383661161,0.06360084983894182,0.2318552532382976,0.15182304160098692
EOS-5-05166,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccc5)nn4)n23)ccc1-c1cncs1,CWHAMIXAAKUXOP-UHFFFAOYSA-N,5,1,0.315,60,149,495.572,3.794,6,0.34,0.62,1.0,0.15760571585223768,0.07913268453156055,0.24563086834349943,0.17749811527654033,0.1649668460009595
EOS-5-05167,CCc1nc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1cccnc1,ATRJWRQLSMABOE-UHFFFAOYSA-N,5,1,0.272,60,869,488.559,3.681,6,0.345,0.67,0.999,0.026814474676170243,0.003640943047083819,0.21364197107806182,0.16394524021657186,0.10201065725447193
EOS-5-05168,COc1cc(-c2nnc3cncc(CNCC4CCC4)n23)ccc1-c1cnsc1,DPPJBGICCQSXQX-UHFFFAOYSA-N,5,1,0.4,5,75,406.515,3.813,5,0.503,0.71,1.0,0.11080460557878144,0.008404153245151121,0.041960797752038925,0.13425227880200125,0.07385545884449318
EOS-5-05169,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ncnn5)ncn4)n23)ccc1-c1ccnnc1,FFTHTPALRROSGK-UHFFFAOYSA-N,5,1,0.289,60,644,493.495,1.312,6,0.324,0.59,1.0,0.10347131793571379,0.01395552052635186,0.0805290932766774,0.05348331163045713,0.06285981084230004
EOS-5-05170,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ccn4)n23)ccc1-c1nccs1,FTXBEACUOLXNMT-UHFFFAOYSA-N,5,1,0.31,60,217,495.572,3.794,6,0.34,0.69,1.0,0.16586423137550546,0.05299499691590707,0.24934891371393325,0.15886505380028784,0.1567682989514084
EOS-5-05171,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1cn(C)cn1,WHPOGASBFANJBW-UHFFFAOYSA-N,5,1,0.396,5,966,403.446,2.227,5,0.53,0.91,1.0,0.21573230073332877,0.06834692618737578,0.030044205332054007,0.03691487903502159,0.08775957782194503
EOS-5-05172,COc1cc(-c2nnc3cncc(CNCC4CCC4)n23)ccc1-c1nccs1,YFASMHQJRXKHCO-UHFFFAOYSA-N,5,1,0.391,5,743,406.515,3.813,5,0.503,0.9,1.0,0.11370879309163183,0.007033445274484271,0.020740524981152766,0.0690065793982592,0.05262233568638201
EOS-5-05173,Fc1nc(-c2nccs2)ccc1-c1nnc2cncc(CNCc3cc(-c4cncnc4)ncn3)n12,MZLDVRMUSBUPJV-UHFFFAOYSA-N,5,1,0.292,60,869,497.523,2.986,6,0.328,0.49,1.0,0.1911023918854088,0.2595435542457679,0.14790795695976972,0.13870707970666848,0.18431524569940372
EOS-5-05174,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccc5)ncn4)n23)ccc1-c1cnsc1,IFWWVOOTDVVAMI-UHFFFAOYSA-N,5,1,0.304,60,149,495.572,3.794,6,0.34,0.52,1.0,0.1630285792611884,0.060585292303474744,0.31502295935850866,0.23186382016311424,0.19262516277157152
EOS-5-05175,COc1cc(-c2nnc3cncc(CC(=O)N4CCc5c(cnnc5C)C4)n23)ccc1-c1cncnc1,ULCALVMRPGRBOX-UHFFFAOYSA-N,5,1,0.355,5,172,493.531,2.483,6,0.363,0.6,1.0,0.09837399766979645,0.01841032143101912,0.010494482900418066,0.020911863477486123,0.03704766636967993
EOS-5-05176,COc1cc(-c2nnc3cncc(CNCc4cc5nccn-5cnnn4)n23)ccc1-c1nccs1,NNIQONQQJULDAB-UHFFFAOYSA-N,5,1,0.295,5,743,497.548,3.508,6,0.364,0.52,0.999,0.2620279624426016,0.0891816873415119,0.03237440888218765,0.008635460215201151,0.09805487972037559
EOS-5-05177,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ccn4)n23)ccc1-c1ncsn1,LHHNVJMDKHKROC-UHFFFAOYSA-N,5,1,0.315,60,84,496.56,3.189,6,0.339,0.61,1.0,0.21307655404016174,0.0646974162154753,0.16986498526488933,0.10725789870468097,0.13872421355630182
EOS-5-05178,Cc1nc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-c6cnccn6)nn5)n34)cn2)cs1,PXPLUBGBXKUJQY-UHFFFAOYSA-N,5,1,0.306,60,869,493.56,3.155,6,0.353,0.75,1.0,0.07974093619354397,0.06059385922829141,0.06762730450277568,0.052258241381673634,0.06505508532657117
EOS-5-05179,CCCCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5cncs5)c(OC)c4)n23)CC1,XSFSSAMUPBPXPY-UHFFFAOYSA-N,5,1,0.333,5,123,491.665,4.668,5,0.323,0.85,1.0,0.05848639572339113,0.007615996162017682,0.0030412583099170723,0.014143992872318552,0.02082191076691111
EOS-5-05180,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)nc(C)n4)n23)ccc1-c1cnco1,IIIHIUMZBIBFIW-UHFFFAOYSA-N,5,1,0.306,60,663,495.507,2.424,6,0.332,0.61,1.0,0.16303714618600507,0.04570454389692276,0.10497052977863067,0.0534918785552738,0.09180102460420808
EOS-5-05181,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5ccnc5)n4)n23)ccc1-c1cncs1,LSZCSIYQGXKJDH-UHFFFAOYSA-N,5,1,0.3,60,149,496.56,3.189,6,0.339,0.69,1.0,0.1965595229936262,0.09211157562881228,0.1570917003632376,0.09483585772051265,0.13514966417654717
EOS-5-05182,Cc1nscc1-c1ccc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)ncn4)n23)cn1,FUVRMWYXEMHHJB-UHFFFAOYSA-N,5,1,0.295,60,869,493.56,3.155,6,0.353,0.61,1.0,0.06954629566170928,0.08604619285861147,0.11875471180864916,0.09103214310191214,0.09134483585772052
EOS-5-05183,Cc1ncc(-c2cc(CNCc3cncc4nnc(-c5ccc(-c6nccs6)cc5F)n34)ncn2)o1,MICDOASZJMDYSO-UHFFFAOYSA-N,5,1,0.303,60,869,499.535,4.097,6,0.346,0.57,1.0,0.29164382153382223,0.3546107189363306,0.27066342265780274,0.23187238708793093,0.2871975875539716
EOS-5-05184,COc1cc(-c2nnc3cncc(CNCc4cc(-c5ncco5)ncn4)n23)ccc1-c1cnsc1,XQMLGLSTOMVMIH-UHFFFAOYSA-N,5,1,0.308,60,149,497.544,3.658,6,0.332,0.47,1.0,0.24601637996024947,0.11144712494003152,0.2169745048317456,0.14339318758138578,0.1794577993283531
EOS-5-05185,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1nccn1C,DOVOYCKTNHXVIZ-UHFFFAOYSA-N,5,1,0.296,60,644,493.535,2.466,6,0.34,0.73,1.0,0.08868480570214515,0.02236824069631965,0.16363683092317183,0.08189980124734425,0.08914741964224522
EOS-5-05186,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)cnn4)n23)ccc1-c1ccsc1,GORSDZGXTLKSEQ-UHFFFAOYSA-N,5,1,0.297,60,149,495.572,3.794,6,0.34,0.6,1.0,0.16587279830032212,0.04208930162428894,0.3520149407168803,0.2730193269823864,0.20824909190596944
EOS-5-05187,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)cn4)n23)ccc1-c1ccsn1,ZIAVVQMVPZYCKF-UHFFFAOYSA-N,5,1,0.295,60,217,495.572,3.794,6,0.34,0.64,1.0,0.16841717497087247,0.03839695702830512,0.3405095606880954,0.23188095401274758,0.19480116167500514
EOS-5-05188,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)cn4)n23)ccc1-c1cnsn1,LGWOHAOKXZYKGV-UHFFFAOYSA-N,5,1,0.305,60,84,496.56,3.189,6,0.339,0.65,1.0,0.21574086765814543,0.049234116921389896,0.21030943732437804,0.13871564663148517,0.15350001713384964
EOS-5-05189,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cccn5)c4)n23)ccc1-c1cscn1,LZDXGHRVQNZFNM-UHFFFAOYSA-N,5,1,0.3,60,217,495.572,3.794,6,0.34,0.75,1.0,0.15761428277705436,0.05687581385785758,0.30750119936947434,0.2084846823384278,0.18261899458570352
EOS-5-05190,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)cn4)n23)ccc1-c1cncs1,TYMZROQYNQGJSW-UHFFFAOYSA-N,5,1,0.317,60,149,495.572,3.794,6,0.34,0.71,1.0,0.15212288396957027,0.0721763415804263,0.3111335754917415,0.21162017682132822,0.1867632444657666
EOS-5-05191,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ccn4)n23)ccc1-c1cnsc1,LEAUQLIXJFKEGJ-UHFFFAOYSA-N,5,1,0.308,60,149,495.572,3.794,6,0.34,0.61,1.0,0.1711157562881228,0.02678877390172024,0.39693132753066956,0.2821516688369543,0.21924688163936673
EOS-5-05192,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1cnnnc1,MAYBWDRDMZVFOR-UHFFFAOYSA-N,5,1,0.29,60,644,494.483,0.707,6,0.314,0.59,1.0,0.13576862449455143,0.01165101775066822,0.07414673428825988,0.04697244876978959,0.06713470632581728
EOS-5-05193,N#Cc1cc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)ncn1,TXHUBDARQDGUBV-UHFFFAOYSA-N,5,1,0.35,78,830,400.421,2.901,5,0.549,0.8,1.0,0.32507196216846,0.2595521211705846,0.22774312932629703,0.4337091357686245,0.3115190871084915
EOS-5-05194,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)n[nH]4)n23)ccc1-c1cnsn1,UCZBLZPVFBBRMR-UHFFFAOYSA-N,5,1,0.292,60,869,497.548,2.788,6,0.322,0.56,1.0,0.25150777876773356,0.09212014255362895,0.18934617229799192,0.12567678706051677,0.1646627201699678
EOS-5-05195,COc1cc(-c2nnc3cncc(CN(C)c4cnc(C(F)(F)F)cn4)n23)ccc1-c1cnsc1,PXKPNIQWRRKLNE-UHFFFAOYSA-N,5,1,0.4,27,172,498.494,4.369,5,0.341,0.52,1.0,0.22961071893633062,0.3058477828798574,0.7670910150092523,0.512276403262285,0.45370648002193126
EOS-5-05196,COc1cc(-c2nnc3cncc(CNCc4ncncc4-n4cccc4)n23)ccc1-c1ccsn1,PJFLJNPLSCBVBN-UHFFFAOYSA-N,5,1,0.304,60,217,495.572,3.794,6,0.34,0.65,1.0,0.15483859913645398,0.05300356384072374,0.2493574806387499,0.19135939962990886,0.16213976081145912
EOS-5-05197,COc1cc(-c2nnc3cncc(CNCc4cccnc4-n4cccn4)n23)ccc1-c1nccs1,BFAHEAPDCLEADW-UHFFFAOYSA-N,5,1,0.312,60,217,495.572,3.794,6,0.34,0.77,1.0,0.1493814680282366,0.06470598314029197,0.1733260228908231,0.11675861832636557,0.1260430230964293
EOS-5-05198,Fc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccccc5)s4)n23)ccc1-c1nccs1,NJBTXFSXHJTDNA-UHFFFAOYSA-N,5,1,0.34,12,93,498.612,6.072,6,0.289,0.77,1.0,0.24317216092111577,0.27505825508875337,0.6093396614351313,0.6350404358851347,0.4406526283325338
EOS-5-05199,O=C(NCc1ccc(F)nc1)c1ccc(-c2nnc3cncc(OCCc4ccc(Cl)cn4)n23)cc1,RFQOZKARCWFXML-UHFFFAOYSA-N,5,1,0.536,11,275,503.925,3.925,5,0.32,0.79,1.0,0.7173857172229456,0.4564371873072442,0.6182749640189158,0.542551915564389,0.5836624460283737
EOS-5-05200,CCc1nc(-c2nnc3cncc(CNC4CCC4)n23)ccc1-c1ccc(F)cn1,HJWTXNQKDVGVHR-UHFFFAOYSA-N,5,1,0.323,78,878,403.465,3.592,5,0.53,0.81,0.924,0.1795798780069906,0.10484202590638064,0.03636659584675485,0.14106298403125214,0.11546287094784455
EOS-5-05201,COc1cc(-c2nnc3cncc(CNCc4cccc(-c5nnco5)n4)n23)ccc1-c1cnsc1,KWDHQMQRWXTVMH-UHFFFAOYSA-N,5,1,0.318,60,149,497.544,3.658,6,0.332,0.52,1.0,0.23793776985813173,0.1083116304571311,0.2103180042491947,0.14604893427455282,0.17565408470975258
EOS-5-05202,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ccnc5)n4)n23)ccc1-c1cscn1,OXVFQAOKGMMOJH-UHFFFAOYSA-N,5,1,0.304,60,217,495.572,3.794,6,0.34,0.73,1.0,0.14633164279350283,0.06471455006510862,0.2785278596395038,0.1858080323487081,0.16884552121170585
EOS-5-05203,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3cc(-c4cncnc4)cnn3)n12,YPKSPZSGDBGENU-UHFFFAOYSA-N,5,1,0.287,60,869,497.523,2.986,6,0.328,0.58,1.0,0.1911109588102255,0.21365910492769516,0.19613974367760947,0.19958364745390994,0.20012336371736
EOS-5-05204,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3cc(-c4ccnnc4)cnn3)n12,KBABFNJNWMYZQU-UHFFFAOYSA-N,5,1,0.307,60,84,497.523,2.986,6,0.351,0.55,1.0,0.18824103899664177,0.2187821259680625,0.2967068741004729,0.3188695086011925,0.2556498869165924
EOS-5-05205,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cccn5)n4)n23)ccc1-c1cnsc1,CZRJQQJINRSLNJ-UHFFFAOYSA-N,5,1,0.312,60,149,495.572,3.794,6,0.34,0.52,1.0,0.14939003495305325,0.06060242615310808,0.26730518812966897,0.1886608183126585,0.1664896168871222
EOS-5-05206,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1cccs1,GHSBSRWAUZYDQG-UHFFFAOYSA-N,5,1,0.307,60,663,495.572,3.794,6,0.34,0.76,1.0,0.14369302994996916,0.07218490850524296,0.2493660475635666,0.177506682201357,0.16068766705503393
EOS-5-05207,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cncn5)c4)n23)ccc1-c1ccsc1,GZHYHJGZLHXFFO-UHFFFAOYSA-N,5,1,0.318,60,149,495.572,3.794,6,0.34,0.7,1.0,0.15213145089438695,0.04571311082173943,0.3668528544993489,0.27302789390720306,0.2094313275306696
EOS-5-05208,COc1cc(-c2nnc3cncc(CNCc4cc(-c5nncs5)ncn4)n23)ccc1-c1ccoc1,QWQXYUKMKBESBB-UHFFFAOYSA-N,5,1,0.3,60,149,497.544,3.658,6,0.332,0.49,1.0,0.23223219793023098,0.11145569186484819,0.19614831060242616,0.1509492152696868,0.172696353916798
EOS-5-05209,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cccn5)n4)n23)ccc1-c1nccs1,GZUBFFTXXLPMOO-UHFFFAOYSA-N,5,1,0.307,60,217,495.572,3.794,6,0.34,0.71,1.0,0.14370159687478581,0.06472311698992529,0.18622781166472482,0.11892605030498252,0.12839464395860462
EOS-5-05210,COc1cc(-c2nnc3cncc(CNCc4cncc(-n5ccnc5)n4)n23)ccc1-c1ccsc1,LRBWMOGZYCPFSG-UHFFFAOYSA-N,5,1,0.306,60,149,495.572,3.794,6,0.34,0.63,1.0,0.1437101637996025,0.060610993077924745,0.29302309642930574,0.22576416969364677,0.18077710575011993
EOS-5-05211,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cnccn4)nc3)n12,KEXFMWSNDURNDR-UHFFFAOYSA-N,5,1,0.297,60,869,496.535,3.591,6,0.353,0.59,1.0,0.14079740936193544,0.17771228839695702,0.3746401891577,0.3638715646631485,0.26425536289493523
EOS-5-05212,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccc5)nn4)n23)ccc1-c1ncsn1,XRHQZQHAYGILNI-UHFFFAOYSA-N,5,1,0.318,60,84,496.56,3.189,6,0.339,0.55,1.0,0.19364676855595916,0.07219347543005962,0.1217017339455829,0.08535227194846139,0.11822356247001578
EOS-5-05213,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nc4)n23)ccc1-c1nccs1,CRHSNRXWEQRWBU-UHFFFAOYSA-N,5,1,0.31,60,217,495.572,3.794,6,0.34,0.76,1.0,0.14371873072441915,0.06473168391474196,0.24937461448838324,0.1560808032348708,0.15347645809060378
EOS-5-05214,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1cnn(C)c1,ZEXNGSBAGMDQBH-UHFFFAOYSA-N,5,1,0.296,60,644,494.523,1.861,6,0.333,0.59,1.0,0.1165615790555822,0.022376807621136318,0.15111198684120347,0.0766739771091769,0.09168108765677471
EOS-5-05215,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ccn4)n23)ccc1-c1cncs1,MVEJPBFCKCDILJ-UHFFFAOYSA-N,5,1,0.307,60,149,495.572,3.794,6,0.34,0.67,1.0,0.1408059762867521,0.06474025083955863,0.31114214241655813,0.21465286820642862,0.18283530943732434
EOS-5-05216,COc1cc(-c2nnc3cncc(CNCc4cnccc4-n4cccn4)n23)ccc1-c1nccs1,LFZQODHRLGDWPL-UHFFFAOYSA-N,5,1,0.298,60,217,495.572,3.794,6,0.34,0.66,1.0,0.1521400178192036,0.04209786854910561,0.2563052566650675,0.17218662189020628,0.15568244123089575
EOS-5-05217,CCc1nc(-c2nnc3cncc(CNCc4cccc(-n5cnnn5)n4)n23)ccc1-c1ccccn1,CJFDBESRXSCTLW-UHFFFAOYSA-N,5,1,0.304,60,663,490.535,2.471,6,0.339,0.66,0.492,0.03395072304845453,0.009012404907134536,0.03637516277157152,0.030626756219587416,0.027491261736687
EOS-5-05218,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cnnc5)cn4)n23)ccc1-c1cncs1,FFIIEJYHLHUOIX-UHFFFAOYSA-N,5,1,0.308,60,149,496.56,3.189,6,0.339,0.62,1.0,0.19656808991844288,0.0647488177643753,0.28588684805702147,0.18319512027962442,0.18259971900486605
EOS-5-05219,Clc1nc(-c2nnc3cncc(CNCc4cc(-c5cncnc5)ncn4)n23)ccc1-c1ncco1,PTENZDUUDOLQAO-UHFFFAOYSA-N,5,1,0.299,60,869,497.91,3.032,6,0.324,0.51,1.0,0.21308512096497842,0.1994637105064766,0.16364539784798848,0.1747909670344733,0.1877462990884792
EOS-5-05220,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnn5)cc4)n23)ccc1-c1ccsc1,GDKJUMDAPVHZFF-UHFFFAOYSA-N,5,1,0.327,60,149,494.584,4.399,6,0.335,0.68,1.0,0.10596429305736413,0.04210643547392228,0.5309865670618875,0.42737817832910696,0.2766088684805702
EOS-5-05221,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1ccsc1,NXUXGDBXAHHSIK-UHFFFAOYSA-N,5,1,0.321,60,663,495.572,3.794,6,0.34,0.64,1.0,0.14372729764923584,0.05688438078267425,0.2823315742581043,0.21162874374614488,0.1736429991090398
EOS-5-05222,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)ccc1-c1cnn(C)c1,SDWXNEXSKJKQHM-UHFFFAOYSA-N,5,1,0.311,60,663,494.523,1.861,6,0.333,0.62,0.998,0.10839729970529778,0.02947878829415393,0.12171030087039957,0.06553697484750874,0.08128084092934001
EOS-5-05223,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1-c1cccs1,MQJCTGOWUBELKR-UHFFFAOYSA-N,5,1,0.314,60,84,495.572,3.794,6,0.34,0.68,1.0,0.14081454321156878,0.06475738468919197,0.19959221437872662,0.15339935576725378,0.13964087451168528
EOS-5-05224,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cccn5)c4)n23)ccc1-c1ccsn1,JFUXIFWZSRTTHF-UHFFFAOYSA-N,5,1,0.3,60,217,495.572,3.794,6,0.34,0.71,1.0,0.1463402097183195,0.049242683846206566,0.2967154410252896,0.2056147625248441,0.17447827427866494
EOS-5-05225,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CCC3(F)COC3)n12,YRUUFPJMFHZBJR-UHFFFAOYSA-N,5,1,0.421,78,753,400.414,3.12,5,0.512,0.6,1.0,0.2620365293674183,0.39744534301966966,0.35579295456103077,0.545516071550956,0.39019772462476865
EOS-5-05226,Cc1ccc(-c2nnc3cncc(CNc4cccc(OC(F)F)c4)n23)c(O)n1,LHTYFMNFRDOLQG-UHFFFAOYSA-N,5,1,0.442,66,678,398.373,3.414,4,0.514,0.7,1.0,0.4258789664861901,0.3974539099444863,0.7309128915084642,0.5842300047974779,0.5346189431841546
EOS-5-05227,COc1cc(-c2nnc3cncc(CNC4CCCC4)n23)ccc1-c1ccsc1,VPGUJZZVGJKRFJ-UHFFFAOYSA-N,5,1,0.364,5,741,405.527,4.561,5,0.509,0.81,1.0,0.13577719141936812,0.005851209649784113,0.06551127407305873,0.20265060653827702,0.102447570420122
EOS-5-05228,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)ccc1-c1ccsc1,YBJJPAIMWMRDOP-UHFFFAOYSA-N,5,1,0.297,60,149,495.572,3.794,6,0.34,0.66,1.0,0.1493986018778699,0.03840552395312179,0.27487834966760333,0.20562332944966075,0.16707645123706394
EOS-5-05229,Cc1nc(-c2ccc(-c3nnc4cncc(CNCc5cc(-c6nccs6)ccn5)n34)cc2)cs1,RECQWOKCSWEZAZ-UHFFFAOYSA-N,5,1,0.333,60,217,496.625,5.032,6,0.331,0.76,1.0,0.182535467068741,0.08605475978342814,0.24218696456719896,0.19959221437872662,0.1775923514495237
EOS-5-05230,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-c1cnn(C)c1,HZMDTHZIXWCWPJ-UHFFFAOYSA-N,5,1,0.301,60,84,493.535,2.466,6,0.34,0.58,1.0,0.07738503186896031,0.024664176547186622,0.20314748817764375,0.11440271400178192,0.10489985264889315
EOS-5-05231,CCCCCc1cncc2nnc(-c3ccc(-c4ncc(Cl)cn4)c(F)c3)n12,KVQBFHIKTHODGG-UHFFFAOYSA-N,5,1,0.438,78,830,396.857,4.774,4,0.439,0.79,1.0,0.5050973202659174,0.5950243300664794,0.23867452539236517,0.41142656432047153,0.43755568501130837
EOS-5-05232,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6nccn6)nn5)n34)cc2F)n1,HRVCIXTTYQQQLZ-UHFFFAOYSA-N,5,1,0.294,60,84,495.486,1.751,6,0.345,0.52,1.0,0.09606092796929615,0.15358782811322047,0.05211260365979028,0.05350044548009047,0.08881545130559934
EOS-5-05233,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nc4)n23)ccc1-c1ncsn1,FTSVIZPTTZDPKU-UHFFFAOYSA-N,5,1,0.321,60,84,496.56,3.189,6,0.339,0.68,1.0,0.19111952573504215,0.060619560002741414,0.16987355218970598,0.10511616750051402,0.1316822013570009
EOS-5-05234,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1cc(C)n[nH]1,QFXDBUPKNBTNIX-UHFFFAOYSA-N,5,1,0.277,60,644,495.511,1.554,6,0.315,0.64,0.676,0.12729593585086696,0.07914125145637722,0.0879052155438284,0.04564457542320609,0.08499674456856968
EOS-5-05235,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3cc(-c4ccnnc4)ncn3)n12,RROCXROFKPOIED-UHFFFAOYSA-N,5,1,0.299,60,84,497.523,2.986,6,0.351,0.5,1.0,0.17958844493180728,0.2088359262559112,0.2858954149818381,0.2879514769378384,0.24056781577684874
EOS-5-05236,COc1cc(-c2nnc3cncc(CNCc4nnc(-c5cccnc5)o4)n23)ccc1-c1nccs1,LKJOOSGRRBQQLZ-UHFFFAOYSA-N,5,1,0.31,60,217,497.544,3.658,6,0.332,0.77,1.0,0.22116373106709616,0.11438558015214859,0.09973613871564663,0.06901514632307587,0.1260751490644918
EOS-5-05237,Fc1nc(-c2cscn2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cncnc4)nn3)n12,GVZRCGAAOOPJOW-UHFFFAOYSA-N,5,1,0.298,60,869,497.523,2.986,6,0.328,0.6,1.0,0.1766242889452402,0.21879069289287917,0.1571002672880543,0.1560893701596875,0.1771511548214653
EOS-5-05238,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(F)c5)cc4)n23)cc1Cl,DSDQJIKAHJJDRX-UHFFFAOYSA-N,5,1,0.511,62,504,500.921,4.863,5,0.359,0.9,1.0,0.34465595229936263,0.45199952025221024,0.7893564526077719,0.7337828113220478,0.5799486841203482
EOS-5-05239,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ccn4)n23)ccc1-c1cscn1,OHAZVAQSCVNODV-UHFFFAOYSA-N,5,1,0.298,60,217,496.56,3.189,6,0.339,0.68,1.0,0.19657665684325953,0.04211500239873895,0.23502501542046467,0.14831916935096978,0.15550896100335823
EOS-5-05240,Fc1cc(-c2nncs2)ccc1-c1nnc2cncc(CNCc3cc(-c4cncnn4)ncn3)n12,SKIXCWXNNDEQOJ-UHFFFAOYSA-N,5,1,0.281,60,869,498.511,2.381,6,0.346,0.56,1.0,0.23224076485504763,0.22914810499623056,0.14196251113700226,0.15340792269207046,0.18918982592008773
EOS-5-05241,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1ncnn1C,JYHNEDHBAYDYKC-UHFFFAOYSA-N,5,1,0.296,60,644,495.511,1.256,6,0.325,0.7,0.988,0.1437358645740525,0.03244294428072099,0.04841169213898979,0.02092043040230279,0.06137773284901652
EOS-5-05242,Fc1cc(-c2ncon2)ccc1-c1nnc2cncc(CNCC3CC3(F)F)n12,GSLQIRLEGYTVIM-UHFFFAOYSA-N,5,1,0.363,78,75,401.352,2.725,5,0.531,0.58,1.0,0.2240507847303132,0.280121307655404,0.7337228428483311,0.7699438009732027,0.5019596840518128
EOS-5-05243,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5cc(-n6cncn6)ncn5)n34)cc2F)n1,BYQWLQIZRQMQEW-UHFFFAOYSA-N,5,1,0.282,60,644,495.486,1.751,6,0.345,0.58,0.989,0.09360222054691247,0.14574052498115275,0.0971660612706463,0.0890189157699952,0.10638193064217669
EOS-5-05244,COc1cc(-c2nnc3cncc(CNC(=O)C4CC4)n23)ccc1-c1ccncn1,BFVZKRWRLHGVIN-UHFFFAOYSA-N,5,1,0.388,5,966,401.43,2.283,5,0.528,0.89,1.0,0.3072955931738743,0.07567164690562675,0.03770303611815503,0.054956822698924,0.118906774724145
EOS-5-05245,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cccn5)c4)n23)ccc1-c1nccs1,ZVLLQZNEXOMNAP-UHFFFAOYSA-N,5,1,0.3,60,217,495.572,3.794,6,0.34,0.75,1.0,0.13302720855321773,0.06062812692755808,0.2563138235898842,0.16395380714138852,0.15348074155301214
EOS-5-05246,N#Cc1cnnc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)c1,FHTGILPTJMALRO-UHFFFAOYSA-N,5,1,0.353,78,830,400.421,2.901,5,0.549,0.81,1.0,0.29708381879240625,0.2595606880954013,0.24563943526831608,0.4833715989308478,0.32141388527174286
EOS-5-05247,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5nccn5)n4)n23)ccc1-c1cscn1,OUURKCOHHKWIEG-UHFFFAOYSA-N,5,1,0.304,60,217,496.56,3.189,6,0.339,0.66,1.0,0.17959701185662394,0.06835549311219245,0.129951682544034,0.08190836817216092,0.11495313892125282
EOS-5-05248,CCc1nc(-c2nnc3cncc(CCNC(=O)N4CCC(F)(F)C4)n23)ccc1-c1cnc(C)cn1,JROPEKSVDIFMLH-UHFFFAOYSA-N,5,1,0.301,78,878,493.522,3.107,5,0.439,0.73,0.052,0.06750736755534234,0.03245151120553766,0.005431430333767391,0.010888561441984785,0.029069717634158044
EOS-5-05249,Cc1nc(-c2ccc(-c3nnc4cncc(CN5CCn6nc(C(F)F)nc6C5)n34)c(F)c2)cs1,HCZJCETXTGCLEX-UHFFFAOYSA-N,5,1,0.356,66,542,497.51,3.907,6,0.364,0.66,1.0,0.13824446576656843,0.3257658830786101,0.013715646631485163,0.07866150366664382,0.13909687478582689
EOS-5-05250,CCc1nc(-c2nnc3cncc(CNCc4ccc(-n5ccnn5)cn4)n23)ccc1-c1ccccn1,RJBSLRSAXYAXQN-UHFFFAOYSA-N,5,1,0.297,60,869,489.547,3.076,6,0.343,0.67,0.994,0.023404838599136453,0.005328627235967377,0.08791378246864505,0.07077993283530944,0.04685679528476458
EOS-5-05251,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1ccsc1,YSHGXFJQOHYKGE-UHFFFAOYSA-N,5,1,0.321,60,149,494.584,4.399,6,0.335,0.69,1.0,0.09132341854567884,0.0530121307655404,0.4896768555959153,0.3701853882530327,0.25104944829004183
EOS-5-05252,COCC1CC1CNCc1cncc2nnc(-c3ccc(-c4nccs4)cn3)n12,NQGNXDPEOQBILW-UHFFFAOYSA-N,5,1,0.333,78,75,407.503,2.682,5,0.48,0.57,0.478,0.053166335412240424,0.012661914879035022,0.12693612500856694,0.17751524912617367,0.09256990610650401
EOS-5-05253,Clc1ccc(-c2nnc3cncc(OCCc4cc(Cl)ns4)n23)cc1,PEYRWXMGJUNCFR-UHFFFAOYSA-N,5,1,0.761,90,400,392.271,4.176,4,0.51,0.74,1.0,0.9458399013090261,0.970367007059146,0.5209118634774861,0.7204098416832294,0.789382153382222
EOS-5-05254,CCCCCN1CCC(NCc2cncc3nnc(-c4ccc(-c5ncsn5)c(OC)c4)n23)CC1,PTAVMPAKKADJDL-UHFFFAOYSA-N,5,1,0.333,5,123,492.653,4.063,5,0.331,0.76,1.0,0.06955486258652593,0.004017887739017202,0.001259337948050168,0.003940785415667192,0.019693218422315126
EOS-5-05255,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ccnc5)n4)n23)ccc1-c1cncs1,WBUGASPLVAXBQX-UHFFFAOYSA-N,5,1,0.309,60,149,495.572,3.794,6,0.34,0.69,1.0,0.12159036392296621,0.07914981838119389,0.2930316633541224,0.19670516071550956,0.17261925159344801
EOS-5-05256,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnc5)ccn4)n23)ccc1-c1cscn1,STTAUWSGFGYBJS-UHFFFAOYSA-N,5,1,0.298,60,217,496.56,3.189,6,0.339,0.64,1.0,0.19658522376807622,0.03246007813035433,0.2706719895826194,0.17219518881502296,0.16797812007401822
EOS-5-05257,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnn5)ncn4)n23)ccc1-c1cccnn1,LYCNYTBPSNDCDZ-UHFFFAOYSA-N,5,1,0.284,60,644,492.507,1.917,6,0.332,0.59,1.0,0.05490542115002399,0.010760057569734768,0.11586765814543211,0.07476355287505997,0.0640741724350627
EOS-5-05258,CCc1nc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1cccnn1,VDZUMDVTWJIGGQ-UHFFFAOYSA-N,5,1,0.25,60,84,489.547,3.076,6,0.343,0.54,0.985,0.023413405523953122,0.004437667055033925,0.11587622507024878,0.08536083887327804,0.057272034130628466
EOS-5-05259,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3ccnc(-c4cncnc4)c3)n12,ZXAFWQLGQMHXBN-UHFFFAOYSA-N,5,1,0.289,60,869,496.535,3.591,6,0.353,0.62,1.0,0.12730450277568364,0.17342025906380645,0.44425502021794255,0.4303937358645741,0.29384337948050165
EOS-5-05260,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ccnc5)n4)n23)ccc1-c1ncsn1,QEPQOFJWYGFSHH-UHFFFAOYSA-N,5,1,0.306,60,149,496.56,3.189,6,0.339,0.61,1.0,0.17387430607908985,0.07220204235487629,0.15394763895552052,0.09484442464532931,0.12371710300870399
EOS-5-05261,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ccnc5)n4)n23)ccc1-c1nccs1,QMJFTVOPLIMMJQ-UHFFFAOYSA-N,5,1,0.304,60,217,495.572,3.794,6,0.34,0.74,1.0,0.12159893084778288,0.07221060927969296,0.23146974162154754,0.14340175450620246,0.14217025906380648
EOS-5-05262,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1cscn1,XSMCJXFHAWTWFY-UHFFFAOYSA-N,5,1,0.307,60,663,496.56,3.189,6,0.339,0.73,1.0,0.17960557878144062,0.05689294770749092,0.17648721814817353,0.11194400657939826,0.13123243780412583
EOS-5-05263,COc1cc(-c2nnc3cncc(CNCc4ccncc4-n4cccn4)n23)ccc1-c1ccsn1,MMRHMQZXOKYHRE-UHFFFAOYSA-N,5,1,0.298,60,217,495.572,3.794,6,0.34,0.7,1.0,0.1330357754780344,0.0457216777465561,0.307509766294291,0.2228514152559797,0.17727965869371531
EOS-5-05264,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-c1ccsc1,OLUQNNDPPJGMNI-UHFFFAOYSA-N,5,1,0.306,60,149,495.572,3.794,6,0.34,0.64,1.0,0.1302686587622507,0.049251250771023235,0.2894849564800219,0.21724864642587896,0.1715633781097937
EOS-5-05265,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1-c1ccsc1,XIAINYZNHLEZRC-UHFFFAOYSA-N,5,1,0.32,60,84,495.572,3.794,6,0.34,0.62,1.0,0.1273130697005003,0.05690151463230759,0.2314783085463642,0.1832036872044411,0.1497241450209033
EOS-5-05266,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nn4)n23)ccc1-c1cccs1,LEUDUWWUNQSPQN-UHFFFAOYSA-N,5,1,0.301,60,84,495.572,3.794,6,0.34,0.65,1.0,0.12732163662531698,0.05302069769035707,0.2530583921595504,0.18321225412925776,0.15415324515112055
EOS-5-05267,COc1cc(-c2nnc3cncc(CNCc4cncc(-n5cccn5)n4)n23)ccc1-c1ncsn1,YRZYTLFFPRNBDF-UHFFFAOYSA-N,5,1,0.307,60,84,497.548,2.584,6,0.334,0.64,1.0,0.2322493317798643,0.06476595161400864,0.0697519018573093,0.0442567336029059,0.10275597971352203
EOS-5-05268,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cnnn5)nc4)n23)ccc1-c1cnn(C)c1,OOUHDLHEPOAFPR-UHFFFAOYSA-N,5,1,0.315,60,644,494.523,1.861,6,0.333,0.65,1.0,0.09133198547049551,0.03542423411692139,0.17968268110479063,0.09891371393324652,0.1013381536563635
EOS-5-05269,COc1cc(-c2nnc3cncc(CNCc4nccnc4-n4ccnc4)n23)ccc1-c1cncs1,MHZKBEBNRDHDLH-UHFFFAOYSA-N,5,1,0.303,60,149,496.56,3.189,6,0.339,0.64,0.999,0.16842574189568912,0.07221917620450963,0.1327959015831677,0.08902748269481187,0.11561707559454458
EOS-5-05270,N#Cc1ccc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)nn1,NQXVBPDTDQZMIT-UHFFFAOYSA-N,5,1,0.35,78,830,400.421,2.901,5,0.549,0.83,1.0,0.2888767048180385,0.24952881913508326,0.1862363785895415,0.4080169282434377,0.28316470769652524
EOS-5-05271,Cc1ccnc(-c2ccc(-c3nnc4cncc(CNCc5cc(-c6cccs6)nn5C)n34)cn2)c1,FEJAGIHMIDOIII-UHFFFAOYSA-N,5,1,0.311,60,869,493.6,4.309,6,0.354,0.75,1.0,0.05317490233705709,0.07915838530601055,0.16988211911452264,0.1410715509560688,0.11082173942841478
EOS-5-05272,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)cnn4)n23)ccc1-c1cscn1,LNINGIRSXGYHAH-UHFFFAOYSA-N,5,1,0.29,60,84,496.56,3.189,6,0.339,0.59,1.0,0.17961414570625728,0.045730244671372766,0.23148687547118085,0.15609793708450415,0.15323230073332877
EOS-5-05273,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1ccsc1,JIQVVNLUTNZTHQ-UHFFFAOYSA-N,5,1,0.297,60,149,495.572,3.794,6,0.34,0.69,1.0,0.12733020355013364,0.04573881159618943,0.33365602083476115,0.2406277842505654,0.1868382050579124
EOS-5-05274,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5ccnc5)c4)n23)ccc1-c1cncs1,XREVJAIRDCUIDO-UHFFFAOYSA-N,5,1,0.306,60,149,495.572,3.794,6,0.34,0.71,1.0,0.11657014598039887,0.0722277431293263,0.38215338222191764,0.25836131862106776,0.20732814748817763
EOS-5-05275,COc1cc(-c2nnc3cncc(CNCc4cc5ncnn-5cnnn4)n23)ccc1-c1cscn1,IEPGUBJFWYAFTB-UHFFFAOYSA-N,5,1,0.298,5,743,498.536,2.903,6,0.36,0.53,0.984,0.28060962236995407,0.09212870947844562,0.018907203070385854,0.0048231786717839766,0.09911717839764238
EOS-5-05276,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5nccn5)nn4)n23)ccc1-c1cnn(C)c1,IYLYWXKTGSXTPG-UHFFFAOYSA-N,5,1,0.307,60,84,494.523,1.861,6,0.333,0.55,1.0,0.08869337262696182,0.038414090877938456,0.0855064765951614,0.04426530052772257,0.06421981015694606
EOS-5-05277,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)ccc1-c1cccs1,ROYTUUYPPPFQDL-UHFFFAOYSA-N,5,1,0.327,60,663,495.572,3.794,6,0.34,0.74,1.0,0.12160749777259955,0.06063669385237475,0.3187410047289425,0.22577273661846345,0.18168948324309506
EOS-5-05278,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5nccn5)n4)n23)ccc1-c1cncs1,MSIPXOMIHBZYLH-UHFFFAOYSA-N,5,1,0.318,60,149,496.56,3.189,6,0.339,0.69,1.0,0.16588136522513877,0.07223631005414297,0.1358285929682681,0.08903604961962854,0.11574557946679459
EOS-5-05279,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)ccc1-c1ccsc1,GVTPFZFKDAZKQA-UHFFFAOYSA-N,5,1,0.333,60,149,495.572,3.794,6,0.34,0.67,1.0,0.12161606469741622,0.05302926461517374,0.3594081968336646,0.2615053800287849,0.19888972654375986
EOS-5-05280,COc1cc(-c2nnc3cncc(CNCc4ccccc4-n4cncn4)n23)ccc1-c1cnsc1,CYTYKTWTNPUDOR-UHFFFAOYSA-N,5,1,0.355,60,149,495.572,3.794,6,0.34,0.56,1.0,0.12457165375916661,0.05303783153999041,0.37859810842300046,0.28796004386265506,0.21104190939620313
EOS-5-05281,N#Cc1cnc(-c2ccc(-c3nnc4cncc(CNC5CCC5)n34)cc2F)cn1,NMSCVQAWZCGPGU-UHFFFAOYSA-N,5,1,0.35,78,830,400.421,2.901,5,0.549,0.86,1.0,0.28888527174285517,0.23945411555068194,0.19960078130354328,0.4114351312452882,0.28484382496059213
EOS-5-05282,Clc1ccc(-c2nnc3cncc(OCCc4sccc4Cl)n23)cc1,WNXALUHVDUIBAH-UHFFFAOYSA-N,5,1,0.696,90,400,391.283,4.781,4,0.491,0.84,1.0,0.97475327256528,0.9862243848947981,0.7717599890343362,0.8858885614419848,0.9046565519840998
EOS-5-05283,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cncn5)ncn4)n23)ccc1-c1cnn(C)n1,MHDKFTNVHNNFCG-UHFFFAOYSA-N,5,1,0.291,60,644,495.511,1.256,6,0.325,0.69,0.993,0.13304434240285107,0.026797340826536908,0.06360941676375848,0.027928174902337056,0.06284481872387088
EOS-5-05284,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnc5)nc4)n23)ccc1-c1cscn1,RHBFQPRCEBBIPW-UHFFFAOYSA-N,5,1,0.308,60,217,495.572,3.794,6,0.34,0.74,1.0,0.12162463162223289,0.049259817695839904,0.35202350764169693,0.23188952093756426,0.18869936947433347
EOS-5-05285,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5ccnc5)c4)n23)ccc1-c1nccs1,ZZAHGDPHVVXGRU-UHFFFAOYSA-N,5,1,0.297,60,217,495.572,3.794,6,0.34,0.73,1.0,0.11657871290521554,0.06477451853882531,0.31115070934137484,0.19671372764032624,0.1723044171064355
EOS-5-05286,COc1cc(-c2nnc3cncc(CNCc4cncc(-n5cccn5)n4)n23)ccc1-c1ccsn1,DCRFKHOGYQYSNJ-UHFFFAOYSA-N,5,1,0.298,60,217,496.56,3.189,6,0.339,0.72,1.0,0.16843430882050578,0.05691008155712426,0.1391011582482352,0.09485299157014598,0.11482463504900281
EOS-5-05287,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)N=c5cc(C)cc[nH]5)cc4)n23)c(F)c1F,HNVOVEQRRKDVNR-UHFFFAOYSA-N,5,1,0.292,62,504,499.481,3.474,5,0.393,0.56,0.998,0.25934651497498457,0.3008189980124734,0.6479165238845864,0.48338016585566446,0.4228655506819272
EOS-5-05288,Cc1nc(-c2ccc(-c3nnc4cncc(CNCc5cccc(-n6cncn6)n5)n34)cc2F)n(C)n1,PCIDOVIATRIEOX-UHFFFAOYSA-N,5,1,0.306,60,663,496.514,2.3,6,0.354,0.64,0.939,0.11081317250359811,0.1817901446096909,0.08053766020149407,0.0707884997601261,0.11098236926872729
EOS-5-05289,COc1cc(-c2nnc3cncc(CNCc4cnc(-n5ccnc5)nc4)n23)ccc1-c1nccs1,QCIFWRMDPVPTNC-UHFFFAOYSA-N,5,1,0.304,60,217,496.56,3.189,6,0.339,0.72,1.0,0.16588993214995545,0.06478308546364198,0.14197107806181894,0.07867007059146049,0.1128285415667192
EOS-5-05290,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ccn4)n23)ccc1-c1cccs1,PCUIIPGNIMYZBR-UHFFFAOYSA-N,5,1,0.304,60,217,496.56,3.189,6,0.339,0.64,1.0,0.1658984990747721,0.06479165238845865,0.2277516962511137,0.1639623740662052,0.15560105544513742
EOS-5-05291,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnn(C)c5)nn4C)n23)ccc1-c1ccoc1,BAIYQVMLPATHLZ-UHFFFAOYSA-N,5,1,0.308,60,149,495.547,3.484,6,0.341,0.7,1.0,0.1191744911246659,0.05304639846480707,0.2894935234048386,0.17479953395928996,0.15912848673840038
EOS-5-05292,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cnnn5)n4)n23)ccc1-c1cccs1,FPTWZOSIYPGVOE-UHFFFAOYSA-N,5,1,0.296,60,663,496.56,3.189,6,0.339,0.68,1.0,0.16304571311082175,0.06836406003700911,0.16365396477280517,0.12357789048043315,0.12966040710026727
EOS-5-05293,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ccnc5)n4)n23)ccc1-c1ccsn1,QJTMYECHKGLAGT-UHFFFAOYSA-N,5,1,0.304,60,217,495.572,3.794,6,0.34,0.69,1.0,0.11658727983003221,0.06064526077719142,0.2673137550544856,0.18322082105407442,0.15694177917894592
EOS-5-05294,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cncn5)n4)n23)ccc1-c1cnnn1C,JATKDSWYDQMKDA-UHFFFAOYSA-N,5,1,0.299,60,663,494.523,1.861,6,0.333,0.71,0.995,0.0863032006031115,0.0294873552189706,0.09473305462271263,0.05093036803509012,0.06536349461997121
EOS-5-05295,CCn1ccnc1-c1ccc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)cc1F,NTPSZNYJCBIPPX-UHFFFAOYSA-N,5,1,0.292,60,663,496.514,2.474,6,0.338,0.69,0.998,0.11659584675484888,0.1611095881022548,0.11588479199506545,0.10308580631896375,0.12416900829278323
EOS-5-05296,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5nccn5)cn4)n23)ccc1-c1cscn1,LAWBPUZEJFJOJZ-UHFFFAOYSA-N,5,1,0.304,60,217,496.56,3.189,6,0.339,0.6,1.0,0.16844287574532246,0.049268384620656566,0.17649578507299019,0.10954526763073127,0.12593807826742512
EOS-5-05297,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5nccn5)n4)n23)ccc1-c1cnsc1,KNUGNNKQMSHCLS-UHFFFAOYSA-N,5,1,0.318,60,149,496.56,3.189,6,0.339,0.55,1.0,0.1630542800356384,0.0648002193132753,0.15710883421287095,0.10512473442533068,0.12252201699677884
EOS-5-05298,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nc4)n23)ccc1-c1cncs1,CBCNAIXKLDJKAO-UHFFFAOYSA-N,5,1,0.324,60,149,495.572,3.794,6,0.34,0.76,1.0,0.11082173942841478,0.07224487697895964,0.3111592762661915,0.20849324926324447,0.1756797854842026
EOS-5-05299,COc1cc(-c2nnc3cncc(CNCc4cncc(-n5ccnc5)n4)n23)ccc1-c1cscn1,MEOPGZCMMUTQKQ-UHFFFAOYSA-N,5,1,0.298,60,217,496.56,3.189,6,0.339,0.68,1.0,0.1659070659995888,0.05305496538962374,0.18624494551435816,0.1213247892536495,0.13163294153930505
EOS-5-05300,COc1cc(-c2nnc3cncc(CNCc4ncccc4-n4cccn4)n23)ccc1-c1nccs1,ANQHWSSZRHWYBA-UHFFFAOYSA-N,5,1,0.312,60,217,495.572,3.794,6,0.34,0.69,1.0,0.1137173600164485,0.06480878623809197,0.17650435199780687,0.11893461722979919,0.11849127887053663
EOS-5-05301,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cnnn5)c4)n23)ccc1-c1cscn1,WMBKUAYRCMXBPA-UHFFFAOYSA-N,5,1,0.31,60,217,496.56,3.189,6,0.339,0.76,1.0,0.1602357617709547,0.06837262696182578,0.29304023027893905,0.21163731067096156,0.18332148242067028
EOS-5-05302,N#Cc1cc(-c2nncs2)ccc1-c1nnc2cncc(CCC3CCCC3)n12,QQKIQGUKGRZDDQ-UHFFFAOYSA-N,5,1,0.368,78,701,401.499,4.304,5,0.495,0.8,1.0,0.19659379069289287,0.25956925502021794,0.011034199163868138,0.14832773627578644,0.15388124528819136
EOS-5-05303,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)ncn4)n23)ccc1-c1cccs1,OTHYACPINHCWIP-UHFFFAOYSA-N,5,1,0.29,60,217,495.572,3.794,6,0.34,0.74,1.0,0.11372592694126517,0.05691864848194092,0.29672400795010623,0.20563189637447743,0.16825011993694744
EOS-5-05304,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5ccccc5F)cc4)n23)cc1Cl,KCOHTXPOFHUGFA-UHFFFAOYSA-N,5,1,0.433,62,504,500.921,4.863,5,0.359,0.9,1.0,0.322416215475293,0.4253992186964567,0.7893650195325885,0.7281286409430471,0.5663272736618463
EOS-5-05305,CC(F)C(=O)NCc1cncc2nnc(-c3ccc(-c4ncsn4)cc3F)n12,WMVKPBROSDBXFI-UHFFFAOYSA-N,5,1,0.452,78,753,401.402,2.423,4,0.552,0.61,1.0,0.21309368788979507,0.22915667192104722,0.26011753820848466,0.23189808786238092,0.23356649647042693
EOS-5-05306,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3cc(-c4cccnn4)cnn3)n12,NJHUZAMOGYXKAJ-UHFFFAOYSA-N,5,1,0.307,60,84,497.523,2.986,6,0.351,0.59,1.0,0.1494071688026866,0.21366767185251181,0.23149544239599754,0.26440956754163525,0.2147449626482078
EOS-5-05307,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cnnc5)c4)n23)ccc1-c1cscn1,DNGXJTULYSWLSE-UHFFFAOYSA-N,5,1,0.303,60,217,496.56,3.189,6,0.339,0.65,1.0,0.16591563292440545,0.05306353231444041,0.282340141182921,0.18049653896237405,0.17045396134603524
EOS-5-05308,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ncnn5)cc4)n23)ccc1-c1cscn1,AQVBNQCAOAZTHF-UHFFFAOYSA-N,5,1,0.31,60,217,496.56,3.189,6,0.339,0.73,1.0,0.1521485847440203,0.07916695223082722,0.2634415050373518,0.17752381605099032,0.1680702145157974
EOS-5-05309,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5nccn5)n4)n23)ccc1-c1nccs1,NTNKZLRZAGUHBY-UHFFFAOYSA-N,5,1,0.304,60,217,496.56,3.189,6,0.339,0.66,1.0,0.15484716606127064,0.0722534439037763,0.0997447056404633,0.05936022205469125,0.09655138441505037
EOS-5-05310,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cccn5)c4)n23)ccc1-c1cncs1,NAUVQYJBLICBGZ-UHFFFAOYSA-N,5,1,0.309,60,149,495.572,3.794,6,0.34,0.75,1.0,0.10840586663011445,0.06838119388664245,0.3223048454526763,0.22009286546501267,0.17979619285861148
EOS-5-05311,Cc1cnnc(-c2ccc(-c3nnc4cncc(CNCc5ccc(-n6cnnn6)nn5)n34)cc2F)n1,VKIGPUJEKDOHSA-UHFFFAOYSA-N,5,1,0.283,60,644,496.474,1.146,6,0.336,0.63,0.993,0.11373449386608184,0.15359639503803715,0.04340004112123912,0.049722431635939965,0.09011334041532452
EOS-5-05312,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ccnc5)n4)n23)ccc1-c1cnsn1,PLBUUVMRZNCXRW-UHFFFAOYSA-N,5,1,0.299,60,663,496.56,3.189,6,0.339,0.66,1.0,0.1630628469604551,0.05307209923925708,0.19279007607429238,0.12779281749023372,0.13417945994105956
EOS-5-05313,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5ccnc5)n4)n23)ccc1-c1cnsc1,ORVSBRVMHPDDHS-UHFFFAOYSA-N,5,1,0.309,60,149,495.572,3.794,6,0.34,0.56,1.0,0.11083030635323145,0.05692721540675759,0.322313412377493,0.2257813035432801,0.17896305942019053
EOS-5-05314,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cccn5)nn4)n23)ccc1-c1cscn1,ZFENKBXFEZQZGN-UHFFFAOYSA-N,5,1,0.314,60,84,496.56,3.189,6,0.339,0.71,1.0,0.16307141388527174,0.053080666164073746,0.13910972517305187,0.09486155849496265,0.11253084092934
EOS-5-05315,O=C(CCCCC1CCCCC1)NCc1cncc2nnc(-c3ccc(-c4csnn4)nc3F)n12,RDSZAVRWONTSBP-UHFFFAOYSA-N,5,1,0.361,78,701,494.6,4.601,5,0.267,0.61,1.0,0.06031971763415804,0.11439414707696526,0.00044548009046672607,0.004489068603933932,0.04491210335138099
EOS-5-05316,Cc1ccc(-c2ccc(-c3nnc4cncc(CNCc5cccc(-n6cnnn6)n5)n34)nc2C)nn1,UQHTUMLBNPXPIR-UHFFFAOYSA-N,5,1,0.257,60,644,491.523,1.921,6,0.349,0.59,0.258,0.03521006099650469,0.007042012199300939,0.03238297580700432,0.01935268316085258,0.023496933040915633
EOS-5-05317,COc1cc(-c2nnc3cncc(CNCc4ccc(-c5ccccc5)cc4)n23)ccc1-c1cccnc1,LSKSAKWUVBBTHA-UHFFFAOYSA-N,5,1,0.388,21,47,498.59,5.819,6,0.285,0.72,1.0,0.26713384963333564,0.09543554245767939,0.8060962236995408,0.7495031183606332,0.4795421835377972
EOS-5-05318,CNC(=O)c1ccc(-c2nnc3cncc(-c4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n23)cc1F,IAYIASUHYKZEFA-UHFFFAOYSA-N,5,1,0.511,62,504,500.921,4.863,5,0.359,0.89,1.0,0.32008601192515934,0.4254077856212734,0.7915324515112055,0.7337913782468645,0.5677044068261257
EOS-5-05319,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5nccn5)n4)n23)ccc1-c1ccsn1,PHSULWVUXPLJSU-UHFFFAOYSA-N,5,1,0.304,60,217,496.56,3.189,6,0.339,0.67,1.0,0.15485573298608732,0.06838976081145912,0.12171886779521623,0.08191693509697759,0.10672032417243507
EOS-5-05320,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5cncn5)c4)n23)ccc1-c1cscn1,CACUIZSXGDJEIB-UHFFFAOYSA-N,5,1,0.312,60,217,496.56,3.189,6,0.339,0.74,1.0,0.16845144267013912,0.04212356932355562,0.24564800219313276,0.1561065040093208,0.15308237954903708
EOS-5-05321,O=C(NCc1cncc2nnc(-c3ccc(-c4nss4)cc3F)n12)C1CC1,GIIBSNTWZPQJGH-UHFFFAOYSA-N,5,1,0.421,78,753,400.464,3.142,5,0.52,0.85,1.0,0.2671424165581523,0.2544633678294839,0.017176684257418955,0.07668254403399356,0.15386625316976218
EOS-5-05322,COc1cc(-c2nnc3cncc(CNCc4nccc(-n5ccnc5)n4)n23)ccc1-c1cscn1,SCIZRBTXJVWZBN-UHFFFAOYSA-N,5,1,0.296,60,217,496.56,3.189,6,0.339,0.62,1.0,0.16592419984922213,0.04213213624837228,0.14492666712356933,0.09104071002672881,0.11100592831197313
EOS-5-05323,COc1cc(-c2nnc3cncc(CNCc4cc(-n5nccn5)ccn4)n23)ccc1-c1cncs1,VSVBPFZKUCAKOI-UHFFFAOYSA-N,5,1,0.314,60,149,496.56,3.189,6,0.339,0.64,1.0,0.16024432869577138,0.05693578233157426,0.18935473922280857,0.12133335617846618,0.1319670516071551
EOS-5-05324,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cnnn5)n4)n23)ccc1-c1nccn1C,AVMASGWOKIGWOB-UHFFFAOYSA-N,5,1,0.304,60,644,494.523,1.861,6,0.333,0.74,1.0,0.08392159550407785,0.02467274347200329,0.08054622712631074,0.041849427729422246,0.05774749845795353
EOS-5-05325,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3ccc(-c4cccnn4)nn3)n12,MTBPKWSHYSFAOS-UHFFFAOYSA-N,5,1,0.318,81,84,497.523,2.986,6,0.351,0.55,1.0,0.14374443149886917,0.2136762387773285,0.1796912480296073,0.21466143513124528,0.18794333835926255
EOS-5-05326,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3cc(-c4cncnc4)ncn3)n12,ZPDCVIAJCNDRDR-UHFFFAOYSA-N,5,1,0.29,60,869,497.523,2.986,6,0.351,0.55,1.0,0.14375299842368583,0.21368480570214515,0.28234870810773766,0.28216023576177096,0.2304866869988349
EOS-5-05327,CCc1nc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nn4)n23)ccc1-c1cccnc1,XGRSIPADLSOQFE-UHFFFAOYSA-N,5,1,0.265,60,663,490.535,2.471,6,0.339,0.64,0.26,0.02682304160098691,0.0036495099719004867,0.04842025906380645,0.041857994654238916,0.03018770132273319
EOS-5-05328,COc1cc(-c2nnc3cncc(OCCCO)n23)ccc1-c1csc(C)n1,YWIQORXNECRSIU-UHFFFAOYSA-N,5,1,0.5,5,947,397.46,2.993,4,0.479,0.71,1.0,0.4925382084846823,0.340055513672812,0.1961568775272428,0.1144112809265986,0.285790470152834
EOS-5-05329,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cnnc5)n4)n23)ccc1-c1nccs1,LQJTVAWHSPRSAH-UHFFFAOYSA-N,5,1,0.301,60,217,496.56,3.189,6,0.339,0.65,1.0,0.14941573572750325,0.07568021383044342,0.16667808923308888,0.10095264203961346,0.12318167020766226
EOS-5-05330,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ncnn5)cc4)n23)ccc1-c1cncs1,YIJUKXBSERBSRT-UHFFFAOYSA-N,5,1,0.324,60,149,496.56,3.189,6,0.339,0.7,1.0,0.14634877664313617,0.07917551915564389,0.2785364265643205,0.18866938523747515,0.1731825269001439
EOS-5-05331,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnc5)ncn4)n23)ccc1-c1ccsc1,YJNRJFAFRALKGC-UHFFFAOYSA-N,5,1,0.306,60,663,496.56,3.189,6,0.339,0.58,1.0,0.15762284970187102,0.05308923308889041,0.25306695908436705,0.177532382975807,0.16032785621273388
EOS-5-05332,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cnnc5)n4)n23)ccc1-c1cncs1,JVBQSWOVUCDOKN-UHFFFAOYSA-N,5,1,0.315,60,149,496.56,3.189,6,0.339,0.64,1.0,0.14942430265231993,0.07568878075526009,0.21698307175656226,0.14108011788088548,0.14579406826125693
EOS-5-05333,COc1cc(-c2nnc3cncc(CNCc4ccccc4-n4cnnn4)n23)ccc1-c1ccsn1,XTRIPFOVEQACAS-UHFFFAOYSA-N,5,1,0.325,60,217,496.56,3.189,6,0.339,0.72,1.0,0.1437615653485025,0.07918408608046056,0.22776026317593037,0.17480810088410664,0.15637850387225
EOS-5-05334,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5ccnc5)c4)n23)ccc1-c1cnsn1,ZBZMICSZVZGZTO-UHFFFAOYSA-N,5,1,0.295,60,149,496.56,3.189,6,0.339,0.69,1.0,0.1630799808100884,0.038422657802755125,0.26732232197930234,0.1748166678089233,0.16091040710026727
EOS-5-05335,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3cc(-c4cncnc4)cnn3)n12,JMMPODQVIADIEM-UHFFFAOYSA-N,5,1,0.29,60,84,497.523,2.986,6,0.351,0.58,1.0,0.14635734356795285,0.19482043725584264,0.2895020903296553,0.31282982660544173,0.2358774244397231
EOS-5-05336,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cccn5)ncn4)n23)ccc1-c1cscn1,LHIMKTGLESIHCD-UHFFFAOYSA-N,5,1,0.29,60,217,496.56,3.189,6,0.339,0.68,1.0,0.16308854773490508,0.03843122472757179,0.16989068603933932,0.10955383455554794,0.12024107326434104
EOS-5-05337,Fc1cc(-c2ccc(CNCc3cncc4nnc(-c5ccc(-c6nnco6)nc5F)n34)cn2)ncn1,VDAHWOHVOFEKOL-UHFFFAOYSA-N,5,1,0.274,76,869,499.445,2.656,6,0.255,0.62,1.0,0.2539322184908505,0.24953738605989995,0.27854499348913714,0.25836988554588447,0.260096120896443
EOS-5-05338,N#Cc1ccc(-c2nnc3cncc(-c4ccc(C(=O)N5CCCCC5)cc4)n23)nc1,UKZKSKWGCBKIMP-UHFFFAOYSA-N,5,1,0.344,0,825,409.453,3.351,5,0.514,0.87,1.0,0.018281817558769103,0.013964087451168528,0.00602254814611747,0.05791241176067439,0.024045216229182372
EOS-5-05339,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cnn[nH]5)ncn4)n23)ccc1-c1cscn1,VZULIIWRPNAWTD-UHFFFAOYSA-N,5,1,0.296,60,217,497.548,2.788,6,0.322,0.42,1.0,0.19365533548077582,0.09213727640326229,0.1733345898156398,0.10956240148036461,0.14217240079501064
EOS-5-05340,COc1cc(-c2nnc3cncc(CNCc4cc(-c5cscn5)no4)n23)ccc1-c1ccnnc1,HTVGVCKRKMCZBX-UHFFFAOYSA-N,5,1,0.318,60,149,497.544,3.658,6,0.332,0.52,1.0,0.18254403399355768,0.10832019738194777,0.24938318141319993,0.18050510588719074,0.18018812966897402
EOS-5-05341,COc1cc(-c2nnc3cncc(CNCc4cnnc(-n5ccnc5)c4)n23)ccc1-c1cscn1,TUXWGSUJESCUNM-UHFFFAOYSA-N,5,1,0.295,60,84,496.56,3.189,6,0.339,0.72,1.0,0.15215715166883695,0.05694434925639093,0.24565656911794942,0.1615979028168049,0.15408899321499556
EOS-5-05342,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5ccnn5)cc4)n23)ccc1-c1cnsn1,RZDKISHNEKBZIZ-UHFFFAOYSA-N,5,1,0.307,60,84,496.56,3.189,6,0.339,0.74,1.0,0.16309711465972174,0.032468645055171,0.29304879720375576,0.20564046329929409,0.17356375505448565
EOS-5-05343,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5nccn5)nc4)n23)ccc1-c1cscn1,LMEUYISQYHKJNR-UHFFFAOYSA-N,5,1,0.315,60,217,496.56,3.189,6,0.339,0.66,1.0,0.15216571859365363,0.060653827702008084,0.18292097868549106,0.11441984785141526,0.127540093208142
EOS-5-05344,COc1cc(-c2nnc3cncc(CNCc4ccc(-n5cncn5)nc4)n23)ccc1-c1cscn1,CPIGNGDCHHEZDJ-UHFFFAOYSA-N,5,1,0.327,60,663,496.56,3.189,6,0.339,0.75,1.0,0.15486429991090397,0.0457473785210061,0.23868309231718182,0.14605750119936947,0.14633806798711535
EOS-5-05345,COc1cc(-c2nnc3cncc(CNCc4cc(-n5cnnn5)ncn4)n23)ccc1-c1cnn(C)c1,RZONOTFESDDSJO-UHFFFAOYSA-N,5,1,0.29,60,644,495.511,1.256,6,0.325,0.59,1.0,0.12163319854704956,0.01841888835583579,0.092505654170379,0.04832602289082311,0.07022094099102186
EOS-5-05346,COc1cc(-c2nnc3cncc(CNCc4cc(-n5nccn5)ncn4)n23)ccc1-c1ccsc1,MJNQTCMSALCPCO-UHFFFAOYSA-N,5,1,0.303,60,149,496.56,3.189,6,0.339,0.59,1.0,0.15487286683572066,0.04575594544582277,0.16040710026728805,0.11676718525118224,0.11945077445000343
EOS-5-05347,COc1cc(-c2nnc3cncc(CNCc4cnc(-n5ccnc5)cn4)n23)ccc1-c1nccs1,KCURPRIAEWOIJH-UHFFFAOYSA-N,5,1,0.304,60,217,496.56,3.189,6,0.339,0.74,1.0,0.1521742855184703,0.0569529161812076,0.1539562058803372,0.09104927695154548,0.11353317113289015
EOS-5-05348,COc1cc(-c2nnc3cncc(CNCc4cc5ncnn-5cnnn4)n23)ccc1-c1ccsn1,IXNNBWMKFXAECN-UHFFFAOYSA-N,5,1,0.298,5,743,498.536,2.903,6,0.36,0.53,0.984,0.26204509629223494,0.07919265300527722,0.017185251182235625,0.004831745596600644,0.09081368651908711
EOS-5-05349,Fc1cc(-c2csnn2)ccc1-c1nnc2cncc(CNCc3cc(-c4cnccn4)ncn3)n12,XQARRDRGKRUZLB-UHFFFAOYSA-N,5,1,0.287,60,869,497.523,2.986,6,0.351,0.51,1.0,0.14943286957713658,0.18179871153450758,0.22776883010074703,0.2406363511753821,0.19990919059694331
EOS-5-05350,COc1cc(-c2nnc3cncc(CNCc4ccnc(-n5ccnc5)c4)n23)ccc1-c1ccsn1,IBVGPYCCFWFWRH-UHFFFAOYSA-N,5,1,0.297,60,217,495.572,3.794,6,0.34,0.66,1.0,0.1059728599821808,0.049276951545473235,0.3520320745665136,0.24361764101158248,0.18772488177643754
EOS-5-05351,COc1cc(-c2nnc3cncc(CNCc4cc(-c5nnco5)ncn4)n23)ccc1-c1cnsc1,PKMHANXIUHODQD-UHFFFAOYSA-N,5,1,0.3,60,149,498.532,3.053,6,0.331,0.46,1.0,0.24067918579946543,0.11733260228908231,0.15112055376602015,0.10309437324378042,0.1530566787745871
EOS-5-05352,COc1cc(-c2nnc3cncc(CNCc4cccc(-n5cnnc5)n4)n23)ccc1-c1cnsc1,WEDCDWAGDHIGAQ-UHFFFAOYSA-N,5,1,0.315,60,149,496.56,3.189,6,0.339,0.51,1.0,0.14944143650195327,0.06066239462682475,0.24219553149201561,0.16397094099102186,0.15406757590295386
EOS-5-05353,COc1cc(-c2nnc3cncc(CNCc4cc(-n5ccnc5)cnn4)n23)ccc1-c1cncs1,ZXEHJLGCYNSKGV-UHFFFAOYSA-N,5,1,0.297,60,149,496.56,3.189,6,0.339,0.64,1.0,0.1548814337605373,0.045764512370639436,0.2456651360427661,0.16397950791583854,0.15257264752244537